ENTRYID	ASSAYID	ASSAY_NAME	DESCRIPTION
285	1	Protease Inhibition Assay	Ki values were determined with recombinant single-chain dimeric HIV protease and  a fluorescent substrate. The use of single-chain dimeric protease allows the enzyme concentrations as low as 0.0625 nM to be used. Reaction products were separated by HPLC and anion-exchange column, and the product was quantified by fluorescence. 
6159	1	HIV-1 protease inhibition assay	The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temperature prior to the substrate cleavage reaction. 150 µL of a 1 µM substrate were used in substrate buffer (0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 MM DTT, 2% DMSO, and 1 mg/mL BSA with an adjusted pH of 4.7).
286	2	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-Pro-Ile-Val-Gln-EDANS (BACHEM; M-1865) and a SPEX FluoroMax spectrofluorometer (excitation 340 nm, emission 490 nm).  The apparent Ki was estimated by nonlinear regression (GraFit, Erithacus Software) to the equation for tight-binding inhibitor. 
287	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-Pro-Ile-Val-Gln-EDANS (BACHEM; M-1865) and a SPEX FluoroMax spectrofluorometer (excitation 340 nm, emission 490 nm).  The apparent Ki was estimated by nonlinear regression (GraFit, Erithacus Software) to the equation for tight-binding inhibitor. 
288	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-Pro-Ile-Val-Gln-EDANS (BACHEM; M-1865) and a SPEX FluoroMax spectrofluorometer (excitation 340 nm, emission 490 nm).  The apparent Ki was estimated by nonlinear regression (GraFit, Erithacus Software) to the equation for tight-binding inhibitor. 
8775	1	FRET enzyme assay	The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 20). We also cloned and expressed the 3CLpro of SARS-CoV-2. The codon-optimized complementary DNA (cDNA) of the full length of 3CLpro of SARS-CoV-2 (GenBank accession number MN908947.3) fused with sequences encoding six histidine at the N terminus was synthesized by Integrated DNA (Coralville, IA). The synthesized gene was subcloned into the pET-28a(+) vector. The expression and purification of SARS-CoV-2 3CLpro were conducted after a standard procedure described by our lab (19). Briefly, stock solutions of compounds 6a to 6k and 7a to 7k were prepared in dimethyl sulfoxide (DMSO) and diluted in assay buffer, which was composed of 20 mM Hepes buffer (pH 8) containing NaCl (200 mM), EDTA (0.4 mM), glycerol (60%), and 6 mM dithiothreitol (DTT). The protease (3CLpro of MERS-CoV, SARS-CoV, or SARS-CoV-2) was mixed with serial dilutions of each compound or with DMSO in 25 μl of assay buffer and incubated at 37°C for 30 min (MERS-CoV) or at room temperature for 1 hour (SARS-CoV and SARS-CoV-2), followed by the addition of 25 μl of assay buffer containing substrate (FAM-SAVLQ/SG-QXL 520, AnaSpec, Fremont, CA). The substrate was derived from the cleavage sites on the viral polyproteins of SARS-CoV. Fluorescence readings were obtained using an excitation wavelength of 480 nm and an emission wavelength of 520 nm on a fluorescence microplate reader (FLx800, BioTek, Winooski, VT) 1 hour after the addition of substrate. Relative fluorescence units (RFU) were determined by subtracting background values (substrate-containing well without protease) from the raw fluorescence values, as described previously (19). The dose-dependent FRET inhibition curves were fitted with a variable slope by using GraphPad Prism software (GraphPad, La Jolla, CA) to determine the IC50 values of the compounds.
9296	1	Enzyme Assay	The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assay buffer, containing 25 mM Tris pH 7.5, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/ml BSA, tested compounds, 500 nM HDAC8 enzyme or 600 nM HDAC1 enzyme, 200 μM Flur de lys p53 peptide substrate for HDAC8 enzyme or 500 μM Flur de lys generic substrate for HDAC1 enzyme and subsequently was incubated at room temperature for 2 h. Flur de lys Developer was added and the reaction was incubated for 10 min. Briefly, deacetylation of the substrate sensitizes it to the developer, which then generates a fluorophore (symbol). The fluorophore is excited with 360 nm light and the emitted light (460 nm) is detected on a fluorometric plate reader.
9298	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human μ opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 μM naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. 
289	1	Protease Inhibition Assay	A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, and the activity was monitored by HPLC. The cleavage products were analyzed after elution with a water/acetonitrile gradient, and detection at 215 nm. Ro 31-895919 served as a reference compound in this assay with an IC50 of 6.3 nM.
290	1	Fluorometric Assay	The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out in a 96-well flat bottom, polystyrene plates. Caspase activity was monitored using a Microplate Spectrofluorometer Gemini XS with an excitation wavelength of 365 nm and an emission wavelength of 495 nm. Kinetic data were collected over a 15 min assay run at room temperature. IC50 values were calculated through a four parameter fit curve using the computer application SOFTmax PRO.  Ki(apparent) values were calculated using the following equation: Ki(app) = IC50/(1 + [substrate]/Km).
292	1	Fluorometric Assay	The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out in a 96-well flat bottom, polystyrene plates. Caspase activity was monitored using a Microplate Spectrofluorometer Gemini XS with an excitation wavelength of 365 nm and an emission wavelength of 495 nm. Kinetic data were collected over a 15 min assay run at room temperature. IC50 values were calculated through a four parameter fit curve using the computer application SOFTmax PRO.  Ki(apparent) values were calculated using the following equation: Ki(app) = IC50/(1 + [substrate]/Km).
308	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
310	1	Protease Inhibition Assay	The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent reporter molecule on the other side of the cleavable bond. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin Pandex beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The resulting fluorescence indicates that no enzymatic reaction has occurred.  Sample detection was performed by excitation at 485 nm and reading the resulting epifluorescence at 535 nm.
312	1	Protease Inhibition Assay	A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptide substrate. The measurements were performed in 96-well plates with a Fluoroscan plate reader. Excitation and emission wavelengths were 355 nm and 500 nm, respectively.
313	1	Protease Inhibition Assay	A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptide substrate. The measurements were performed in 96-well plates with a Fluoroscan plate reader. Excitation and emission wavelengths were 355 nm and 500 nm, respectively.
314	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
315	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
316	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
319	1	Protease Inhibition Assay	IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quenched fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. Cleavage of the substrate by HIV protease released the fluorescent N-terminal tripeptide from its close apposition to the quenching nitrobenzyl group, resulting in enhanced fluorescence.
320	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
322	1	Protease Inhibition Assay	The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-napthylalanine)-Pro-Ile-Val-OH was assessed at 30 °C, pH = 5.5 with [Enzyme] = 30 pM for 1 h, using HPLC with UV detection for quantification of the products. For the IC50 data a substrate concentration of 0.4 mg/mL was used, and data was fit to a four parameter sigmoidal equation.
323	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
324	1	Protease Inhibition Assay	The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-napthylalanine)-Pro-Ile-Val-OH was assessed at 30 °C, pH = 5.5 with [Enzyme] = 30 pM for 1 h, using HPLC with UV detection for quantification of the products. For the IC50 data a substrate concentration of 0.4 mg/mL was used, and data was fit to a four parameter sigmoidal equation.
327	1	Protease Inhibition Assay	A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptide substrate. The measurements were performed in 96-well plates with a Fluoroscan plate reader. Excitation and emission wavelengths were 355 nm and 500 nm, respectively.
328	1	Protease Inhibition Assay	IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, and then was coupled via its N-terminal lysine to an Affi-gel bead mixture. The assay was performed in 96-well microtiter filtration plates. The plates containing HIV protease and radiolabeled substrate beads were incubated with or without inhibitor. After filtration, radioactivity was measured using an LKB 1205 Microbeta liquid scintillation counter. IC50 determinations were performed in duplicate at each concentration with mean values used for data analysis. 
330	1	Protease Inhibition Assay	IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, and then was coupled via its N-terminal lysine to an Affi-gel bead mixture. The assay was performed in 96-well microtiter filtration plates. The plates containing HIV protease and radiolabeled substrate beads were incubated with or without inhibitor. After filtration, radioactivity was measured using an LKB 1205 Microbeta liquid scintillation counter. IC50 determinations were performed in duplicate at each concentration with mean values used for data analysis. 
331	1	Protease Inhibition Assay	IC50 values are determined by inhibition of the cleavage of the peptidic substrate [V-S-Q-N-(beta-naphthylalanine)-P-I-V]. The IC50 value represents the concentration of inhibitor required to inhibit cleavage of substrate by 50%. The assay is performed by addition of purified enzyme to a mixture of inhibitor and the above substrate at pH 5.5. The reaction medium is incubated for 30 min at 37 °C followed by quenching with H3-PO4 and then analyzed by reverse phase HPLC UV (220 nm) detection.
332	1	Protease Inhibition Assay	A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptide substrate. The measurements were performed in 96-well plates with a Fluoroscan plate reader. Excitation and emission wavelengths were 355 nm and 500 nm, respectively.
333	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments were separated by reverse-phase HPLC, detected by absorbance at 215 nm, and quantified by comparison with a synthetic product standard. For highly potent inhibitors, their Ki values were analyzed by a mathematical model for tight-binding inhibitors, in which the concentration of inhibitor is less than or approximately equal to the enzyme concentration.
334	1	Protease Inhibition Assay	All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleavage site peptide VSQN-(beta-naphthylalanine)-PIV were established with respect to time and enzyme concentration to yield linear initial velocity data. IC50 is inhibitor concentration, which inhibits 50% peptide cleavage activity of HIV protease. The detection of product was monitored with fluorescence (excitation 270 nm, emission 330 nm).
335	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate were separated by reversed-phase HPLC on a Perkin-Elmer 3 X 3CR C8 column. A nonlinear curve fit using the Hill model was applied to the percent inhibition concentration data, and 50% effective concentrations (IC50) were calculated through the use of SAS (Statistical Software System, SAS Institute Inc., Cary, NC).
336	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
337	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
338	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
7	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
340	1	Protease Inhibition Assay	The inhibition constant, Ki  was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.
341	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
342	1	Protease Inhibition Assay	Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Arg.  The data were analyzed with the mathematical model for tight-binding inhibitors in which the concentration of inhibitor is less than or equal to the enzyme concentration.  The data were fitted by nonlinear regression analysis to the equation with program Enzfitter (version 1.05).
343	1	Protease Inhibition Assay	Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the Ki value was found to approach the concentration of the enzyme. Under these assay conditions, the cyclic compounds were confirmed to be competitive inhibitors.
344	1	Protease Inhibition Assay	Inhibition constants were determined by a spectrophotometric assay with the chromogenic peptide substrate.
345	1	Protease Inhibition Assay	Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg. 
348	1	Protease Inhibition Assay	The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent reporter molecule on the other side of the cleavable bond. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin Pandex beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The resulting fluorescence indicates that no enzymatic reaction has occurred.  Sample detection was performed by excitation at 485 nm and reading the resulting epifluorescence at 535 nm.
349	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
350	1	Protease Inhibition Assay	Ki values were determined by using a fluorescent substrate (DABCYL-gamma-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS). All incubations were performed at 30°C in 0.1 M sodium acetate 1 M NaCl 1 mM DTT 1 mM EDTA 3% DMSO (pH 5.0) by using 5 uM substrate and the indicated enzyme concentrations ([E]). The enzyme concentration (A280) was determined by absorption measurements. Km values, including standard deviations, and calculated values of the active enzyme concentrations were obtained by nonlinear regression analysis.
351	1	Protease Inhibition Assay	Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction were quantified by HPLC detection.
352	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
353	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
354	1	Protease Inhibition Assay	Protease activity was measured by continuous chromogenic assay.  The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bachem) was used as a substrate. Reactions were followed by the decrease of absorbance at 300 nm measured by spectrophotometer. Experimental results were analyzed by the nonlinear regression analysis, using a mathematical model for tight binding inhibitors.
355	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
356	1	Protease Inhibition Assay	Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction were quantified by HPLC detection
358	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
359	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
360	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics
361	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
362	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
363	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
366	1	Protease Inhibition Assay	The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromophoric peptide.
367	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
368	1	Protease Inhibition Assay	Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction were quantified by HPLC detection
370	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate were separated by reversed-phase HPLC on a Perkin-Elmer 3 X 3CR C8 column. A nonlinear curve fit using the Hill model was applied to the percent inhibition concentration data, and 50% effective concentrations (IC50) were calculated through the use of SAS (Statistical Software System, SAS Institute Inc., Cary, NC).
371	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed on a reverse-phase high-pressure liquid chromatograph.
372	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
375	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
378	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
5844	2	FLIPR Ca2+ Flux Assay	Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove's modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 ug/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 ul assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 ul assay buffer containing 1 uM Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 ul assay buffer. 30 ul of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 ul, incubated for 5 min and finally 25 ul of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist.
382	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
386	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
389	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
391	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
392	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
5857	1	HSL Enzyme Assay	HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typically, 1.5 mM 2,3-dimercapto-1-propanol tributyrate (DMPT) in 100 mM MOPS, pH 7.2, 0.2 mg/ml fatty acid-free BSA was prepared by sonication at 4° C. to homogenous suspension. Test compounds (2 mM stock in DMSO) were diluted 3 fold in series in DMSO. Compound solutions were diluted 24 fold in 1.5 mM DMPT containing solution and 18 ul per well was added to 384-well microplates (Corning Costar). Twelve microliters per well of human HSL (15 ug/ml) was added and the reaction mixture was incubated at 37° C. for 20 minutes. Six microliters of 12 mM dithio-bis-(2-nitrobenzoic acid) (DTNB) in DMSO plus 1.2% SDS and 0.6% Triton X-100 were added and the mixture was incubated at room temperature for 15 minutes. Product production was monitored by reading absorbance at 405 nm on an Envision Reader (PerkinElmer Life and Analytical Sciences, Shelton, Conn.).
5859	1	Enzyme Assay	The inhibitory properties of compounds relative to MEK1 or MEK2 may be determined using a black 384-well-plate format under the following reaction conditions: 50 mM HEPES pH 7.3, 10 mM NaCl, 10 mM MgCl2, 0.01% Brij35, 1 nM MEK1 or 4 nM MEK2, 25 nM ERK1, 400 μM ATP, 500 nM IPTTPITTYFFFK-5FAM-COOH (FI-Erktide), and 1% DMSO. Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices. The assay reaction may be initiated as follows: 2 μl of the mixture of 1.5 μM FI-Erktide and 75 nM ERK with 2 l of inhibitor (2 fold serial dilutions for 11 data points for each inhibitor) containing 3% DMSO were added to each well of the plate, followed by the addition of 2 μl of the mixture of 3 nM MEK1 or 12 nM MEK2 and 1200 μM ATP to initiate the reaction (final enzyme concentration was 1 nM for MEK1 or 4 nM for MEK2). The reaction mixture may then be incubated at room temperature for 22 min, and quenched and developed by addition of 20 μl of 1:200 dilution of progressive IMAP beads (Molecular Devices) in 80% buffer A, 20% bufferB and 0.003% Tween 20. Fluorescence polarization of the resulting reaction mixtures may be measured after a 1 hour incubation at room temperature.
5865	1	Enzyme Assay	The 11-β-HSD-1 enzyme assay was carried out in 96 well microtiter plates in a total volume of 100 μl containing 30 mM Hepes buffer, pH 7.4 with 1 mM EDTA, substrate mixture cortisone/NADPH (200 nM/200 μM), G-6-P (1 mM) and inhibitors in serial dilutions. Reactions were initiated by addition of 10 μl 11-β-HSD-1 (3 μg) from E. coli, either as microsome fractions from rat and mice liver (2.5 μg). Following mixing, the plates were shaken for 150 minutes at 37° C. The reactions were terminated with 10 μl Acid-18beta glycyrrhetinic stop solution. Determinations of cortisol levels in 11-β-HSD-1 preparations were monitored by HTRF (HTRF cortisol assay from Cis bio international).
394	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
5895	1	Spectrophotometric Assay	Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.
397	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
399	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
5899	1	In Vitro Inhibition Assay	In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes.
401	1	Protease Inhibition Assay	HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K) and was derivatized with biotin and fluorescein isothiocyanate (FITC) at the amino and carboxy termini. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The bound fluorescence is obtained by processing on an IDEXX Screen Machine. Determination of Ki values with this assay requires analysis under conditions in which substrate concentration resides substantially below Km and the inhibitor concentrations greatly exceeds the Ki value and the enzyme concentration.
402	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
403	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
405	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
407	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
408	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
410	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
416	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
421	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
5902	1	In Vitro Enzyme Assay	The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
423	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
50041211	1	ChEMBL_195671 (CHEMBL800744)	Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)
426	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
427	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
428	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
429	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
430	1	HIV RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV RT RNA-directed DNA polymerase activity in vitro.
431	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
433	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
434	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
5	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
435	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
436	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
438	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
439	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
440	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
5903	1	Enzyme Inhibition Assay	The assay is based on a sandwich-ELISA protocol employing the ROCHE colorimetric reverse transcriptase kit (cat # 1468120910).
441	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
442	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
443	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
444	1	Protease Inhibition Assay	For determination of IC50 values, HIV-1 protease was added to assay buffer containing inhibitor and the substrate (H-His-Lys-Ala-Arg-Val-Leu- (p-NO2) Phe-Glu-Ala-norleucine-Ser-NH2). The Leu- (p-NO2) Phe bond of the substrate was cleaved by the enzyme, and the substrate and products were separated by reversed-phase HPLC. Absorbance was measured at 220 nm, peak areas were determined, and percentage conversion to product was calculated.
445	1	PKC assay	The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich histone.
445	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
452	1	PKC assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. 
452	2	PKA assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate.
452	3	Phosphorylase Kinasse Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate.
452	4	Tyrosine Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of  kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. 
455	1	PKC assay	The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich histone.
455	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
457	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
460	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
461	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
463	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
464	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
465	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
466	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
467	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
468	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
469	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
470	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
471	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
472	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
473	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
5919	1	Inhibition Assay	Inhibition assay of human soluble epoxide hydrolases.
480	1	MLCK assay	The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.
480	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
480	3	cGPK assay	The activity of cGPK, activated by cGMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
480	4	TPK assay	The activity of TPK is measured by its ability to transfer 32P from [gamma-32P]ATP to Poly(Glu,Tyr; 4:l).
483	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
493	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
494	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
495	1	PKC assay	PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.
497	1	PKC assay	PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.
500	1	PKC assay	The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich histone.
500	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
502	1	PKC assay	PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.
502	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
509	1	PKC assay	PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.
509	2	PKA assay	The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.
5921	1	Kinase Assay	The kinase assay is based on the LanthaScreen technology.  LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
5922	1	Inhibition Assay	Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-95, 1991).
515	1	PKC assay	The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich histone.
5925	1	Glucagon SPA Assay	The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.
518	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
521	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate
524	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
526	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
528	1	Protease Inhibition Assay	Protease activity was measured by continuous chromogenic assay.  The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bachem) was used as a substrate. Reactions were followed by the decrease of absorbance at 300 nm measured by spectrophotometer. Experimental results were analyzed by the nonlinear regression analysis, using a mathematical model for tight binding inhibitors.
529	1	Protease Inhibition Assay	Protease activity was measured by continuous chromogenic assay.  The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bachem) was used as a substrate. Reactions were followed by the decrease of absorbance at 300 nm measured by spectrophotometer. Experimental results were analyzed by the nonlinear regression analysis, using a mathematical model for tight binding inhibitors.
530	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
541	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
545	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
546	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
548	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
549	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
551	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
552	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
554	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
5927	1	Kinase Assay	Kinase assay using either CDK1, CDK2 or VEGFR-2.
557	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
566	1	HCV Protease Inhibition Assay	The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DDIVPCSMSY[25I]TW, and various concentrations of inhibitor. After reaction was terminated, the separation of substrate and products was achieved by adding avidin coated agarose beads to the assay mixture followed by filtration. A non-linear curve fit using the Hill model was applied to the percentage inhibition-concentration data and 50% effective concentration (IC) was calculated through the use of SAS (Statistical Software System, SAS Institute Inc., Gary, N.C.).
570	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
576	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
578	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
580	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
583	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
587	1	Src Inhibition Assay	IC50 is the inhibitor concentration, which inhibits 50% of pp60c-src activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a synthetic gastrin-based peptide substrate.
587	2	PKA Inhibition Assay	IC50 is the inhibitor concentration, which inhibits 50% of  PKA activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a synthetic kemptide peptide substrate.
591	1	Protease Inhibition Assay	The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) assay. The IC50 values of active compounds were determined using the partially purified protease and the synthetic substrate Ac-Ser-Gln-AsnTyr-Pro-Ile-Val-NH2.
593	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
600	1	Protease Inhibition Assay	The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) assay. The Ki values of active compounds were determined using the partially purified protease and the synthetic substrate Ac-Ser-Gln-AsnTyr-Pro-Ile-Val-NH2.
601	1	Protease Inhibition Assay	The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) assay. The IC50 values of active compounds were determined using the partially purified protease and the synthetic substrate Ac-Ser-Gln-AsnTyr-Pro-Ile-Val-NH2.
603	1	EGFR assay	The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.
606	1	EGFR assay	The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.
609	1	EGFR assay	The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.
611	1	Enzyme Inhibition Assay	The effects of the inhibitors on the activity of HIV-1 proteinase was determined by a fluorometric assay with an internally quenched fluorescent peptide substrate. Measurements were performed in 96-well plates with a Fluoroskan plate reader. Excitation and and emission wavelengths were 355 and 500 nm, respectively.Data were analyzed by nonlinear regression by using SIMFIT, and an equation for tightly binding inhibitors.
612	1	Kinase Inhibition Assay	The EGF-R kinase autophosphorylation  activity  was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Positive and negative controls were included in each plate by incubation of enzyme with or without ATP-MgCl2. The percentage of autophosphorylation inhibition by the compound was calculated using the equation: 100 - [(test - negative control)/(positive control - negativecontrol)]. The IC50 was obtained from curves of percentage inhibition.
615	1	Kinase Inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
617	1	Kinase Inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
619	1	Kinase Inhibition Assay	The EGF-R kinase autophosphorylation  activity  was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Positive and negative controls were included in each plate by incubation of enzyme with or without ATP-MgCl2. The percentage of autophosphorylation inhibition by the compound was calculated using the equation: 100 - [(test - negative control)/(positive control - negativecontrol)]. The IC50 was obtained from curves of percentage inhibition.
623	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to a protein or peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate 
625	1	VEGF-R Kinase Inhibition Assay	An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room temperature, with 2uM ATP in 96-well plates coated with a poly(Glu, Ala, Tyr) 6:3:1 random copolymer substrate. Phosphorylated tyrosine was then detected by sequential incubation with anti-phosphotyrosine antibody. IC50 data were interpolated by nonlinear regression using Microcal Origin software.
631	1	VEGF-R Kinase Inhibition Assay	An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room temperature, with 2uM ATP in 96-well plates coated with a poly(Glu, Ala, Tyr) 6:3:1 random copolymer substrate. Phosphorylated tyrosine was then detected by sequential incubation with anti-phosphotyrosine antibody. IC50 data were interpolated by nonlinear regression using Microcal Origin software.
639	1	Fluorometric Activity Assay	Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of the substrate was monitored with an excitation filter of wavelength 340 nm and an emission filter of wavelength 420. Values for the inhibition constants (Ki) were determined by conventional steady-state kinetic techniques.
639	2	GW0385  Assay	The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The k1 is calculated from spectrofluorometric data in the presence of saquinavir. The k-1 is calculated from the time course for displacement of [3H]GW0385 from E[3H]GW0385 by nonlabeled GW0385.
639	3	Kinetic Competitive Displacement Assay	The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of unknown affinity was used to displace [3H]GW0385 from enzyme-bound [3H]GW0385 (E[3H]GW0385). From the concentration of E[3H]GW0385 at equilibrium, the concentrations of enzyme-bound and free inhibitors were calculated, and the ratio of the Ki value of the unknown to that of GW0385 was determined (Ki,unknown/Ki,GW0385).
640	1	Kinetic Competitive Displacement Assay	The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of unknown affinity was used to displace [3H]GW0385 from enzyme-bound [3H]GW0385 (E[3H]GW0385). From the concentration of E[3H]GW0385 at equilibrium, the concentrations of enzyme-bound and free inhibitors were calculated, and the ratio of the Ki value of the unknown to that of GW0385 was determined (Ki,unknown/Ki,GW0385).
641	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
642	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
643	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
647	1	Kinase Inhibition Assay	Enzyme assays for IC50 determinations were performed in 96-well filter plates. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to the polyglutamic acid/tyrosine peptide substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting using a Wallac beta plate counter.
649	1	Tyrosine Kinase Assay	The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone without ATP. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized substrate. The amount of phosphotyrosine generated was quantitated by using anti-posphotyrosine antibody.
649	2	Autophosphorylation Assay	IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtiter plates precoated with PDGFR-beta or EGFR-specific monoclonal antibodies to capture the respective receptors from lysates. The amount of phosphotyrosine present on the receptors was determined by incubating the immunolocalized receptor with a biotinylated monoclonal antibody directed against phosphotyrosine.
652	1	Kinase Inhibition Assay	The kinase activity is the enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] ATP to the poly (E: Y) substrate. Nonspecific activity was defined as radioactivity retained on the filters following incubation of samples without enzyme. Specific activity was determined as total activity minus nonspecific activity. The concentration of compound that inhibited specific enzymatic activity by 50%(IC50) was determined graphically.
656	1	Kinase Inhibition Assay	The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over glutathione-Sepharose. 33P-ATP was used as the phosphate donor, and the polyGluTyr (4:1) peptide was used as the acceptor.  IC50 values were calculated by linear regression analysis of the percentage inhibition of each compound in duplicate, at three concentrations (usually, 0.01, 0.1, and 1 uM or 0.1, 1, and 10 uM).
656	2	PDGFR-beta Inhibition Assay	The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over glutathione-Sepharose. 33P-ATP was used as the phosphate donor, and the PDGFR-beta was used as the acceptor. IC50 values were calculated by linear regression analysis of the percentage inhibition of each compound in duplicate, at three concentrations (usually, 0.01, 0.1, and 1 uM or 0.1, 1, and 10 uM).
661	1	Tyrosine Kinase Assay	The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone without ATP. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized substrate. The amount of phosphotyrosine generated was quantitated by using anti-posphotyrosine antibody.
667	1	Tyrosine Kinase Assay	The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone without ATP. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized substrate. The amount of phosphotyrosine generated was quantitated by using anti-posphotyrosine antibody.
672	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS-5B) with an excitation wavelength of 365 nm, emission wavelength of 450 nm. 
678	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
681	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
682	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
687	1	Competitive Binding Assay	Fluorescence polarization competitive binding assays were used to measure the IC50s of compounds binding to the different SH2 domains. The difference in polarization values of fluorescein-conjugated peptide reflects the bound and unbound state of the probe. IC50s were calculated based on the binding of the fluorescein-conjugated peptide to the protein with compound addition relative to vehicle-alone control samples.
695	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
698	1	Tyrosine Kinase Assay	The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone without ATP. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized substrate. The amount of phosphotyrosine generated was quantitated by using anti-posphotyrosine antibody.
698	2	Autophosphorylation Assay	IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtiter plates precoated with PDGFR-beta or EGFR-specific monoclonal antibodies to capture the respective receptors from lysates. The amount of phosphotyrosine present on the receptors was determined by incubating the immunolocalized receptor with a biotinylated monoclonal antibody directed against phosphotyrosine.
702	1	EGFR assay	The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.
703	1	Membrane Autophosphorylation Assay.	The assay was using Swiss 3T3 cell membranes harboring EGF-R or PDGFR-beta. Receptor autophosphorylation was initiated by addition of [gamma-32P]ATP in the presence of EGF or PDGF. In order to test the effects of tyrphostins, these were added 15 min before addition of the growth factors. For quantification of radioactivity in the reaction, a PhosphorImager was used through electrophoresis gels.  IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase activity.
705	1	Neuraminidase Inhibition Assay	A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence measurements were obtained using a fluorescence plate reader with excitation and emission filters of 355 +/- 35 nm and 460 +/- 25 nm. The Ki values were calculated by nonlinear regression curve fitting of the velocity data using Kaleidagraph software.
707	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
708	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
3	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
710	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
711	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was quantitated in a Perkin-Elmer fluorimeter (Model LS50B) with an excitation wavelength of 360 nm, emission wavelength of 448 nm. 
713	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
714	1	Neuraminidase Inhibition Assay	A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid is cleaved by neuraminidase to yield a fluorescent product that can be quantified. Fluorescence was read using an Aminco-Bowman fluorescence spectrophotometer (excitation, 360 nm; emission, 450 nm). The IC50 was calculated by plotting percent inhibition versus the inhibitor concentration, and each point was performed in duplicate.
715	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
716	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
717	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
718	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
719	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
720	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
721	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
722	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
723	1	Kinase Inhibition Assay	Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reaction was stopped, and incorporation of gamma-33P was measured. IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] ATP to the peptide substrate.
724	1	Kinase Inhibition Assay	Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor compound. The reactions were terminated after 10 min at 23 °C. The reaction mix was then transferred to filter plates for scintillation counting. Each inhibitor compound was added to the reaction to produce an 11-point dose-response curve (0.0001 to 10 uM). The IC50 values were estimated from data fit to the equation: y =Vmax X (1 - (x/(K + x)).
725	1	Kinase Inhibition Assay	Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor compound. The reactions were terminated after 10 min at 23 °C. The reaction mix was then transferred to filter plates for scintillation counting. Each inhibitor compound was added to the reaction to produce an 11-point dose-response curve (0.0001 to 10 uM). The IC50 values were estimated from data fit to the equation: y =Vmax X (1 - (x/(K + x)).
726	1	Kinase Inhibition Assay	The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to histone H1. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate. 
732	1	Kinase Inhibition Assay	The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to histone H1. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate. 
737	1	Kinase Inhibition Assay	The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to histone H1. Ki is the associated inhibition constant.
738	1	Kinase Inhibition Assay	The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to histone H1. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate. 
740	1	Kinase Inhibition Assay	The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to histone H1. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate. 
741	1	Kinase Inhibition assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
747	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
752	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
753	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
755	1	Kinase Inhibition assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
759	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
760	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
763	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
765	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
766	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
768	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay was using baculovirus-expressed recombinant protein kinase and biotinylated poly-Glu-Ala-Tyr substrate. HTRF is based on the proximity of a europium cryptate (donor fluorophore)-labeled   antiphosphotyrosine antibody and streptavidin labeled with XL665 (acceptor fluorophore) that have been brought together by a specific binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and XL665 re-emits at 665 nm
770	1	Kinase Inhibition assay	 The enzyme was assayed with substrate in the presence of  25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determine the compound concentration required to inhibit 50% of kinase activity (IC50) that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
771	1	Kinase Inhibition assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
780	1	Kinase Inhibition assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
784	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
787	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
1	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
788	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
789	1	Kinase Inhibition Assay	Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mouse PDGF-beta receptor (PDGFR), or avian c-Src tyrosine kinase (all full length enzymes). IC50 is defined as the concentration of inhibitor that reduces by 50% the level of gamma-32P incorporated into the copolymer substrate.
789	2	VEGF-R Kinase Inhibition Assay	Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the the copolymer substrate. Compounds are tested using halflog dilutions from 10 through 0.0001 uM. IC50 values are calculated by least squares regression using the Hill equation for the best fit of all the points in the dose response curve.
798	1	In Vitro Src Kinase Inhibition Test	This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized poly (Glu,Tyr) substrate detected using anti-phosphotyrosine monoclonal antibody conjugated to alkaline phosphatase. IC50 values for compound enzyme inhibition were obtained using KC3 Kineticalc software (Bio-Tek Instruments) following subtraction of the blank values.
798	2	VEGF-R Kinase Inhibition Assay	An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-RRTK activity. The compounds were incubated with enzyme 20 min at room temperature, with 2uM ATP in 96-well plates coated with a poly(Glu, Ala, Tyr) 6:3:1 random copolymer substrate. Phosphorylated tyrosine was then detected by sequential in cubation with anti-phosphotyrosine antibody. IC50 data were interpolated by nonlinear regression using Microcal Origin software.
801	1	CDKs Assay	The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST- retinoblastoma. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting.
801	2	Tyrosine Kinase Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to the glutamate-tyrosine polymer substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
806	1	CDKs Assay	The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST- retinoblastoma. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting.
812	1	CDKs Assay	The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST- retinoblastoma. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting.
818	1	CDKs Assay	The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST- retinoblastoma. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting.
826	1	Kinase Inhibition Assay	The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated FlashPlate (Perkin-Elmer, Boston, MA). Inhibition of the enzymatic activity due to the compound was measured by observing a reduced amount of 33P-gamma-ATP incorporated into the immobilized peptide relative to untreated controls. Linear regression analysis of the percent of inhibition by the test compound was used to calculate IC50 values. 
830	1	Kinase Inhibition Assay	The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated FlashPlate (Perkin-Elmer, Boston, MA). Inhibition of the enzymatic activity due to the compound was measured by observing a reduced amount of 33P-gamma-ATP incorporated into the immobilized peptide relative to untreated controls. Linear regression analysis of the percent of inhibition by the test compound was used to calculate IC50 values. 
833	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
2	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
834	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
835	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
836	1	Kinase inhibition Assay	Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from ATP to the substrate.
837	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
839	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
840	1	Kinase Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to the glutamate-tyrosine polymer substrate. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
842	1	Receptor Autophosphorylation Inhibition Assay	The cells were stimulated with PDGF (100 ng/mL) for 10 min at room temperature. Then the cell lysates were analyzed by SDS-PAGE and immunoblotting with anti-phosphotyrosine antibodies. Quantification of IC50 values was based on the intensity of the signal for autophosphorylated PDGF receptor. Titration was done using four to eight inhibitor concentrations within a range of 2 orders of magnitude. IC50 values were obtained by curve-fitting of the results using the program Sigma Plot 2.0
5929	1	Inhibition Assay	Beta-Secretase inhibition assay.
845	1	Tyrosine Kinase Assay	Src, Lck, Flt-1, ZAP, EGFR, FGFR1, and PFGFR-beta were assayed in the Merck research laboratory (Homogeneous proximity tyrosine kinase assays: scintillation proximity assay versus homogeneous time-resolved fluorescence.  Anal. Biochem. 1999, 269, 94-104.)
845	2	CDK 6  Assay	In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 20 min in buffer that contained 50 uM ATP, and diluted compounds. The reactions were terminated and the phosphorylated peptides were trapped in a filter. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to peptide substrate.
5934	1	Enzyme Inhbition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.
848	1	CDKs Assay	In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and diluted compounds. The reactions were terminated and the phosphorylated peptides were trapped in a filter. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to peptide substrate.
850	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
851	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
5938	1	Enzymatic Assay	The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).
5939	1	Binding Assay	A binding competition experiment with CRF was conducted by the SPA (GE Healthcare) method using a 96-well plate.
857	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
859	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
861	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
863	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
866	1	CDK Kinase Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
5940	1	Inhibition Assay	The inhibitory activity of the compound against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate from [5-3H]deoxyuridine triphosphate.
883	1	Kinase Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P incorporation was measured with a Top Count (Packard). IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
886	1	Kinase Inhibition Assay	The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated FlashPlate (Perkin-Elmer, Boston, MA). Inhibition of the enzymatic activity due to the compound was measured by observing a reduced amount of 33P-gamma-ATP incorporated into the immobilized peptide relative to untreated controls. Linear regression analysis of the percent of inhibition by the test compound was used to calculate IC50 values. 
890	1	Kinase Inhibition Assay	The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated FlashPlate (Perkin-Elmer, Boston, MA). Inhibition of the enzymatic activity due to the compound was measured by observing a reduced amount of 33P-gamma-ATP incorporated into the immobilized peptide relative to untreated controls. Linear regression analysis of the percent of inhibition by the test compound was used to calculate IC50 values. 
892	1	Kinase Inhibition Assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
895	1	Kinase Inhibition Assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
896	1	Kinase Inhibition Assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
900	1	Kinase Inhibition Assay	The enzyme was assayed with substrate GST-Rb in the presence of 50 mM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labeled ATP to GST-Rb. Use of 32P-labeled ATP allows this transfer to be monitored by scintillation counting. 
901	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
902	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
904	1	Protease Inhibition Assay	Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr) was separated from the fluorescent substrate by anion-exchange HPLC on a Mono-Q anion-exchange column (Pharmacia), and fluorescence was monitored at an excitation wavelength of 330 nm and an emission wavelength of 430 nm.   Ki values for inhibitor binding were estimated at fixed concentrations of substrate and inhibitor from fractional activity measurements by use of the modified Michaelis-Menten equation.
905	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
5941	1	Inhibition Assay	Inhibition assay using IGF1R activity in a cell free kinase assay.
907	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
910	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
915	1	CDK Assay	For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP.  After incubation at room temperature within the linear reaction range, activity was terminated by the addition of EDTA. Phosphorylation of GST-Rb on serine 780 was quantified by incubation with a phosphoserine antibody then a horseradish peroxidase conjugated secondary antibody, and detecting using color readout.
919	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
928	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
932	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
941	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
947	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
5942	1	Enzyme Assay	Enzyme assay using human acetyl-CoA carboxylase 2 (ACC). 
948	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
949	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
6436	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates . To this end, 1.5 μg of the DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK biotin-NH2 (biotin-DNA-PK peptide), in a total volume of 36.5 μl (34.25 mM HEPES/KOH, 7.85 mM Tris-HCl, 68.5 mM KCl, 5 μM ATP, 6.85 mM MgCl2, 0.5 mM EDTA, 0.14 mM EGTA, 0.69 mM DTT, pH 7.4), were incubated at room temperature for 90 min with 500 ng of DNA from calf thymus, 0.1 μCi of 33P-ATP and 1.8% of DMSO per well with or without the test compound. The reaction was stopped using 50 μl/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 μl of 0.9% sodium chloride solution. A non-specific reaction (blank value) was determined using 10 μM of a proprietary kinase inhibitor. 
6440	1	Activity Assay	The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hypertension and/or those that would benefit from the therapeutic methods of the invention. Any of a number of standard assays for determining epoxide hydrolase activity can be used. For example, suitable assays are described in Gill, et al., Anal Biochem 131, 273-282 (1983); and Borhan, et al., Analytical Biochemistry 231, 188-200 (1995)). Suitable in vitro assays are described in Zeldin et al. J Biol. Chem. 268:6402-6407 (1993). Suitable in vivo assays are described in Zeldin et al. Arch Biochem Biophys 330:87-96 (1996). Assays for epoxide hydrolase using both putative natural substrates and surrogate substrates have been reviewed (see, Hammock, et al. In: Methods in Enzymology, Volume III, Steroids and Isoprenoids, Part B, (Law, J. H. and H. C. Rilling, eds. 1985), Academic Press, Orlando, Fla., pp. 303-311).
6441	1	Kinase Assay	CDK1/CycB (200 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 and within the range 0.001-10 uM) in assay buffer [50 mM Tris/HCl pH 8.0; 10 mM MgCl2; 0.1 mM Na ortho-vanadate; 1.0 mM dithiothreitol; 0.5 uM adenosine trisphosphate (ATP); 10 ug/measuring point histone IIIS; 0.2 uCi/measuring point 33P-gamma ATP; 0.05% NP40; 1.25% dimethyl sulphoxide]. The reaction was stopped by adding EDTA solution (250 mM; pH 8.0; 15 ul/measuring point).From each reaction mixture, 15 ul were applied to P30 filter strips (Wallac), and unincorporated 33P-ATP was removed by washing the filter strips three times, for 10 min in each case, in 0.5% phosphoric acid. After drying the filter strips for 1 hour at 70 C, the filter strips were covered with scintillator strips (MeltiLex A, Wallac) and stoved for 1 hour at 90 C. The amount of incorporated 33P (substrate phosphorylation) was determined.
6441	2	Kinase Assay	CDK2/CycE (50 mg/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 uM, and within the range 0.001-10 uM) in assay buffer [50 mM Tris/HCl pH 8.0; 10 mM MgCl2; 0.1 mM Na ortho-vanadate; 1.0 mM dithiothreitol; 0.5 uM adenosine trisphosphate (ATP); 10 ug/measuring point histone IIIS; 0.2 uCi/measuring point 33P-gamma ATP; 0.05% NP40; 1.25% dimethyl sulphoxide]. The reaction was stopped by adding EDTA solution (250 mM; pH 8.0; 15 ul/measuring point).From each reaction mixture, 15 ul were applied to P30 filter strips (Wallac), and unincorporated 33P-ATP was removed by washing the filter strips three times, for 10 min in each case, in 0.5% phosphoric acid. After drying the filter strips for 1 hour at 70 C., the filter strips were covered with scintillator strips (MeltiLex A, Wallac) and stoved for 1 hour at 90 C. The amount of incorporated 33P (substrate phosphorylation) was determined.
951	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate
953	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
954	1	CDK 1  Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
954	2	CDK Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
955	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
959	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
960	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
961	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
961	2	CDK4 Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
962	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
963	1	CDK Assay	The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.
965	1	CDK Assay	The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.
6441	3	Kinase Assay	Recombinant CDK4 and CycD1-GST fusion proteins, purified from baculovirus-infected insect cells (Sf9), were purchased from ProQinase GmbH, Freiburg. CDK4/CycD1 (250 ng/measuring point) was incubated for 3 hours at 22 C. in the presence of different concentrations of test substances (0 uM, and within the range 0.001-10 uM) in 31 ul of assay buffer [50 mM Hepes pH 7.0; 2.5 mM MnCl; 0.05 mM Na ortho-vanadate; 1.0 mM dithiothreitol; 0.25 uM adenosine trisphosphate (ATP); 0.5 uM biotinylated myelin basic protein (bio-MPB, GE Healthcare); 0.05 uCi/measuring point 33P-gamma ATP; 0.005% NP40; 0.025% bovine serum albumin; 3% dimethyl sulphoxide]. The reaction was stopped by adding 50 ul of stop-mix [100 uM ATP; 10 mM EDTA pH 8.0; 0.2% Triton X100; 0.125 mg of streptavidin-SPA Beads (GE Healthcare)]. After incubation for 10 min at room temperature, the SPA beads were pelleted by centrifugation (10 min; 1500 g).
6441	4	Kinase Assay	VEGF receptor tyrosine kinase (90 ng/measuring point) was incubated for 10 min at 22 C. in the presence of different concentrations of test substances (0 uM, and within the range 0.001-10 M) in 30 ul of assay buffer [40 mM Tris/HCl pH 5.5; 10 mM MgCl2; 1 mM MnCl2; 3 uM Na ortho-vanadate; 1.0 mM dithiothreitol; 8 uM adenosine trisphosphate (ATP); 0.96 ug/measuring point poly-(Glu4Tyr); 0.2 uCi/measuring point 33P-gamma ATP; 1.4% dimethyl sulphoxide]. The reaction was stopped by adding EDTA solution (250 mM; pH 8.0; 15 ul/measuring point).From each reaction mixture, 15 ul were applied to P30 filter strips (Wallac), and unincorporated 33P-ATP was removed by washing the filter strips three times, for 10 min in each case, in 0.5% phosphoric acid. After drying the filter strips for 1 hour at 70 C., the filter strips were covered with scintillator strips (MeltiLex A, Wallac) and stoved for 1 hour at 90 C.
6444	1	Radioligand Binding Assay	Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell membranes stably expressing either the hM1, hM2, hM3, hM4 or hM5 muscarinic subtype were diluted in assay buffer to the following specific target protein concentrations (ug/well): 10 ug for hM1, 10-15 ug for hM2, 10-20 ug for hM3, 10-20 ug for hM4, and 10-12 ug for hM5 to get similar signals (cpm). The membranes were briefly homogenized using a Polytron tissue disruptor (10 seconds) prior to assay plate addition.Saturation binding studies for determining KD values of the radioligand were performed using L-[N-methyl-3H]scopolamine methyl chloride ([3H]-NMS) (TRK666, 84.0 Ci/mmol, Amersham Pharmacia Biotech, Buckinghamshire, England) at concentrations ranging from 0.001 nM to 20 nM.Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM.
970	1	CDK Assay	The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.
971	1	CDK Assay	The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.
972	1	CDK Assay	The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.
973	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia), counted using a scintillation counter to measure substrate-incorporated phosphate. Values for pIC50 were obtained using nonlinear regression analysis.
985	1	GSK-3 Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The GSK-3 beta activity was expressed in picomoles of phosphate incorporated in GS-1 per 20 min or in percentage of maximal activity. The IC50 is the inhibitor concentration at which a 50% of enzyme inhibition occurs.
985	2	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration at which a 50% of enzyme inhibition occurs.
985	3	PKC Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 10 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration at which a 50% of enzyme inhibition occurs.
987	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The GSK-3 beta activity was expressed in picomoles of phosphate incorporated in GS-1 per 20 min or in percentage of maximal activity. The IC50 is the inhibitor concentration at which a 50% of enzyme inhibition occurs.
6445	1	Binding Assay	The competition assay was performed in a 96-well plate (polystyrene*) which binds <2.0% of the total input [3H]-17beta-estradiol and each data point was gathered in triplicate. 100 uG/100 uL of the receptor preparation was aliquoted per well. A saturating dose of 2.5 nM [3H]17beta-estradiol+competitor (or buffer) in a 50 uL volume was added in the preliminary competition when 100x and 500x competitor were evaluated, only 0.8 nM [3H]17beta-estradiol was used. The plate was incubated at room temperature for 2.5 h. At the end of this incubation period 150 uL of ice-cold dextran coated charcoal (5% activated charcoal coated with 0.05% 69K dextran) was added to each well and the plate was immediately centrifuged at 99 g for 5 minutes at 4 C. 200 uL of the supernatant solution was then removed for scintillation counting. Samples were counted to 2% or 10 minutes, whichever occurs first.
6447	1	Receptor Binding Assay	Binding assays were carried out on rat recombinant D3 receptors (Perkin-Elmer, Cat. No. 6110139) expressed in Sf9 cells using [3H]spiperone (0.44-1.49 nM) as ligand and haloperidol (10 &#956;M) for determination of non-specific binding. The assay was performed according to the supplier&#39;s assay protocol (Cat. No.: 3110139).
6447	2	Receptor Binding Assay	D2 receptor binding was determined as described by Creese et al. (Eur. J. Pharmacol., 60:55-66, 1979) on rat brain striatal membrane preparation using [3H]spiperone (0.4-1.3 nM) as ligand. Non-specific binding was determined in the presence of 1 &#956;M (+) butaclamol.
6447	3	Receptor Binding Assay	Alpha-1 receptor binding studies were performed according to the methods described by Greengrass and Bremner (Eur. J. Pharmacol., 55:323-326, 1979) on rat cortical membrane preparation using [3H]-prazosine (0.22-0.37 nM) as ligand. The non-specific binding was determined in the presence of 10 &#956;M phentolamine.
6448	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfer (or Foerster resonance energy transfer) describes an energy transfer between donor and acceptor fluorescent molecules. For this assay, human MDM2 protein (amino acids 2-188) and human MDM4 protein (amino acids 2-185), tagged with a C-terminal biotin moiety, are used in combination with a Europium labeled streptavidin (Perkin Elmer, Inc., Waltham, Mass., USA) serving as the donor fluorophore. The p53 derived, Cy5 labeled peptide Cy5-TFSDLWKLL (p53 aa18-26) is the energy acceptor. Upon excitation of the donor molecule at 340 nm, binding interaction between MDM2 or MDM4 and the p53 peptide induces energy transfer and enhanced response at the acceptor emission wavelength at 665 nm.
6449	1	Fluorescence Polarization-Based Assays	An in vitro fluorescence polarization (FP) based binding assay was used to test the binding ability of the compounds of the present invention to certain IAP proteins (Nikolovska-Coleska et al., Anal. Biochem. 332:261-73 (2004)). he FP-based assay for XIAP BIR3 protein was described in detail previously (Nikolovska-Coleska et al., Anal. Biochem. 332:261-73 (2004)). Briefly, 5-carboxyfluorescein was coupled to the lysine side chain of a mutated Smac peptide with the sequence (AbuRPFK-Fam) and this fluorescently tagged peptide (named SM5F) was used as the fluorescent tracer in FP-based binding assay to XIAP BIR3. 
991	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 37 &#176;C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The GSK-3 beta activity was expressed in picomoles of phosphate incorporated in GS-1 per 20 min or in percentage of maximal activity. The IC50 is the inhibitor concentration at which a 50% of enzyme inhibition occurs.
993	1	QC Inhibition Testing	QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AMC into pGlu-AMC by QC, the pGlu-AMC was hydrolyzed by pyroglutamyl peptidase. The generated AMC was detected with excitation/emission wavelengths of 380/460 nm. All determinations were carried out using a BMG Novostar reader for microplates. The inhibition constants were evaluated by fitting the data to the equation for competitive inhibition.
996	1	QC Inhibition Testing	QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AMC into pGlu-AMC by QC, the pGlu-AMC was hydrolyzed by pyroglutamyl peptidase. The generated AMC was detected with excitation/emission wavelengths of 380/460 nm. All determinations were carried out using a BMG Novostar reader for microplates. The inhibition constants were evaluated by fitting the data to the equation for competitive inhibition.
6455	1	Binding Assay	6-week-old Sprague-Dawley (SD) rats were anesthetized in an ether container for 5 minutes, brains were separated from rats, and cortical regions were then separated from the brains of the rats. The cortical regions of the rats were put into a Tris-HCl buffer solution (50 mM, pH 7.4) and homogenized, and the homogenate was centrifuged twice at 4 ° C at a rotary speed of 50,000 g to obtain a precipitate (membrane protein). The precipitate was put into a buffer solution, and homogenized, which was used later as a protein source. 2 nM [3H]-8-OH-DPAT was used as a radioactive isotope, and 10 uM serotonin was used to remove non-specific bindings. 25 ul of the compound, 100 ul of an aqueous radioactive isotope solution, and 100 ul of the protein source were put together, and kept at 25 ° C. for 1 hour. The resulting mixture was filtered with a membrane filter in a 96-well harvester when the 96-well plate reaction was completed.
6455	2	Binding Assay	6-week-old Sprague-Dawley (SD) rats were anesthetized in an ether container for 5 minutes, brains were separated from rats, and cortical regions were then separated from the brains of the rats. The cortical regions of the rats were put into a Tris-HCl buffer solution (50 mM, pH 7.7) and homogenized, and the homogenate was centrifuged twice at 4 C. at a rotary speed of 50,000 g to obtain a precipitate (membrane protein). The precipitate was put into a buffer solution, and homogenized, which was used later as a protein source. 0.5 nM [3H]-Ketanserin was used as a radioactive isotope, and 10 uM serotonin was used to remove non-specific bindings. 25 ul of the compound, 100 ul of an aqueous radioactive isotope solution, and 100 ul of the protein source were put together, and kept at 25 C. for 1 hour. The resulting mixture was filtered with a membrane filter in a 96-well harvester when the 96-well plate reaction was completed.
998	1	QC Inhibition Testing	QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AMC into pGlu-AMC by QC, the pGlu-AMC was hydrolyzed by pyroglutamyl peptidase. The generated AMC was detected with excitation/emission wavelengths of 380/460 nm. All determinations were carried out using a BMG Novostar reader for microplates. The inhibition constants were evaluated by fitting the data to the equation for competitive inhibition.
999	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
1003	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
1007	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
1010	1	CDK Kinase Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at 30 &#176;C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a Top Count (Packard). IC50 values were calculated from dose-response curves; from these calculated apparent inhibition constants (Ki) were obtained using the Cheng-Prusoff equation: Ki = IC50/ (1 + ([ATP]/Km)).
1014	1	CDK Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at 30 &#176;C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a Top Count (Packard). IC50 values were calculated from dose-response curves; from these calculated apparent inhibition constants (Ki) were obtained using the Cheng-Prusoff equation: Ki = IC50/ (1 + ([ATP]/Km)).
1016	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
1022	1	Protease Inhibition Assay	The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substrate was recorded as an increase of the fluorescence intensity. Ki values were calculated from the IC50 values taken from a dose-response curve with the fluorescent assay using the equation Ki = (IC50 - [E]/2)/ (1 +[S]/Km), where [E] and [S] are the protease and substrate concentrations, Km is the Michaelis-Menten constant.
1023	1	Protease Inhibition Assay	The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compounds. The increase of fluorescence was detected using fluorimeter-luminometer. Ki values were calculated from the IC50 values estimated from a dose-response curve with the fluorescent assay using the equation Ki = (IC50 - [E]/2)/ (1 +[S]/Km), where [E] and [S] are the protease and substrate concentrations.
1025	1	Kinase Inhibition SPA  Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
6457	1	Inhibition Assay	Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 &#956;M) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 &#956;M. Substrate hydrolysis leads to an increase fluorescence lifetime (FLT) of PT14 measured by the means of a FLT reader as described by Doering et al. (2009). The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature. 
1039	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
6467	1	Enzyme Inhibition Assay	The enzymatic activity of human factor Xa (FXa) was measured using the conversion of a chromogenic substrate specific for FXa. Factor Xa cleaves p-nitroaniline from the chromogenic substrate. The determinations were carried out in microtitre plates as follows.The test substances, in various concentrations, were dissolved in DMSO and incubated at 25 C. with human FXa (0.5 nmol/l dissolved in 50 mmol/l of tris buffer [C,C,C-tris(hydroxymethyl)-aminomethane], 150 mmol/l of NaCl, 0.1% BSA (bovine serum albumin), pH=8.3) for 10 minutes. Pure DMSO was used as control. The chromogenic substrate (150 umol 11 of Pefachrome FXa from Pentapharm) was then added. After an incubation time of 20 minutes at 25 C., the extinction at 405 nm was determined.
1043	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
1043	2	Kinase Inhibition Assay	In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds in the presence of ATP/ [gamma-33P]. The total ATP concentration was 10 &#181;M (IC50 determinations) or ranged from 0 to 45 &#181;M (Ki determinations). 33P incorporation into the substrate peptide was determined by using a scintillation counter (Wallac).
1044	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
1046	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
1046	2	Kinase Inhibition Assay	In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. Assays were performed using Biomek 2000 (Beckman Instruments) in a 96-well format. 33P incorporation into substrate was measured using a scintillation counter. 
1047	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
1049	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 10 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using scintillation counter (Wallac) to measure substrate-incorporated phosphate.
1053	1	Kinase Inhibition SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia), counted using a scintillation counter to measure substrate-incorporated phosphate. Values for pIC50 were obtained using nonlinear regression analysis.
1054	1	Fluorescence Peptide Cleavage Assay	Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-terminally linked fluorophore of MAPKKide was a FITC, and the acceptor chromophore was 4-([4-(dimethylamino)-phenyl] azo) benzoic acid (DABCYL). Cleavage of the substrate by LF released the fluorophore and full fluorescence was restored. The reaction was examined by using a fluorescent plate reader at excitation and emission wavelength at 485 and 590 nm.
1056	1	Fluorescence Peptide Cleavage Assay	Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-terminally linked fluorophore of MAPKKide was a FITC, and the acceptor chromophore was 4-([4-(dimethylamino)-phenyl] azo) benzoic acid (DABCYL). Cleavage of the substrate by LF released the fluorophore and full fluorescence was restored. The reaction was examined by using a fluorescent plate reader at excitation and emission wavelength at 485 and 590 nm.
1057	1	Fluorescence Resonance Energy Transfer Assay (FRET)	The assay was performed in a 96-well plate, each well contained substrate peptide, LF, and the test compound. The C-terminally fluorophore of substrate peptide was 7-hydroxy-4-methyl-3-acetylcoumarinyl, and the acceptor chromophore was N-({4-[(7-nitro-2, 1, 3-benzoxadiazol-4-yl) amino] phenyl} acetyl. Cleavage of the substrate by LF released the fluorophore and full fluorescence was restored. The reaction was examined using a fluorescent plate reader at excitation/355 nm and emission/460 nm.
1060	1	Fluorescence Resonance Energy Transfer Assay (FRET)	The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage of the substrate by LF released the fluorophore and full fluorescence was restored. Fluorescence intensity (Ex: 320 nm, Em: 420 nm) was monitored for 15 min at room temperature and the Ki values were calculated using the program BatchKi (BioKin Ltd., Pullman, WA).
1061	1	Protease Inhibition Assay	The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of substrate were monitored with ultraviolet absorbance at 225 nm on a C-18 reversed phase HPLC. 
1062	1	Kinase Inhibition SPA  Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1063	1	Kinase Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Top Count (Packard). Dose-response profiles were generated, and the IC50 value for inhibition of GSK-3 by the test compound was calculated.
1064	1	Kinase Inhibition SPA  Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1068	1	CYP11B assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
1068	2	CYP19 assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the reaction was terminated, and the charcoal-adsorbed steroids were separated by centrifugation. Aliquots of the supernatant were assayed for the presence of 3H2O by counting using a liquid scintillation spectrometer
1074	1	Kinase Inhibition SPA  Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads (Amersham Pharmacia), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1078	1	Enzyme Inhibition Assay	Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each enzyme. Inhibitors were varied over the range 0.01-10 uM. The consumption of NAD(P)H was monitored for 20 min at 30 &#176;C by following the change in absorbance at 340 nm. IC50 values were estimated from a fit of the initial velocities to a standard equation. Triclosan was included in all assays as a positive control.
1080	1	Enzyme Inhibition Assay	Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each enzyme. Inhibitors were varied over the range 0.01-10 uM. The consumption of NAD(P)H was monitored for 20 min at 30 &#176;C by following the change in absorbance at 340 nm. IC50 values were estimated from a fit of the initial velocities to a standard equation. Triclosan was included in all assays as a positive control.
1082	1	Enzyme Inhibition Assay	Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each enzyme. Inhibitors were varied over the range 0.01-10 uM. The consumption of NAD(P)H was monitored for 20 min at 30 &#176;C by following the change in absorbance at 340 nm. IC50 values were estimated from a fit of the initial velocities to a standard equation. Triclosan was included in all assays as a positive control.
1084	1	Enzyme Inhibition Assay	Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each enzyme. Inhibitors were varied over the range 0.01-10 uM. The consumption of NAD(P)H was monitored for 20 min at 30 &#176;C by following the change in absorbance at 340 nm. IC50 values were estimated from a fit of the initial velocities to a standard equation. Triclosan was included in all assays as a positive control.
1088	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
1092	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
1101	1	CYP11B Assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
1104	1	CYP11B Assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
1104	2	CYP17 Assay	The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the byproduct 16 alpha-hydroxyprogesterone. Products were analyzed by HPLC. Peak areas were determined by integration of the resulting chromatograms. Substrate conversion was determined by product versus substrate peak areas. The inhibitory potencies were calculated using the diminished substrate conversion caused by the inhibitors.
1108	1	CYP11B Assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
1108	2	CYP17 Assay	The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the byproduct 16 alpha-hydroxyprogesterone. Products were analyzed by HPLC. Peak areas were determined by integration of the resulting chromatograms. Substrate conversion was determined by product versus substrate peak areas. The inhibitory potencies were calculated using the diminished substrate conversion caused by the inhibitors.
1111	1	CYP17 Assay	The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the byproduct 16 alpha-hydroxyprogesterone. Products were analyzed by HPLC. Peak areas were determined by integration of the resulting chromatograms. Substrate conversion was determined by product versus substrate peak areas. The inhibitory potencies were calculated using the diminished substrate conversion caused by the inhibitors.
1113	1	Measurement of FBSAChE/EqBuChE Inhibitory Activity	Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine competitive and noncompetitive inhibitors. Plots of initial velocities versus substrate concentrations at a series of inhibitor concentrations were analyzed by nonlinear least-squares methods to determine the values of Km and Vmax. Nonlinear regression analysis of the plots of Vmax/Km values versus [THA-An] was used for the determination of Ki value
1115	1	AChE/BuChE Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min using a spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The linear regression parameters were determined and the IC50 values extrapolated.
1116	1	AChE Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min using a spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The linear regression parameters were determined and the IC50 values extrapolated.
1117	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1120	1	In Vitro Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with a microplate reader Digiscan 340T spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1122	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 7 min, relative to the drug-free control. Triplicate measurements were carried out at a total of six drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug], which was processed by Sigma Plot 4.0.
1124	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 10 min with a Fluostar optima plate reader (BMG). The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined.
1126	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with a Jasco Uvidec-610 double beam Spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined.
1128	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
1129	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
1131	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
1133	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
1134	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
6471	1	Inhibition Assay	The PDE9-inhibiting activity was measured by the following method. That is, to a buffer solution containing tris(hydroxymethyl)aminomethane-hydrochloric acid (40 mM, pH 8.0), magnesium chloride (5 mM), and 2-mercaptoethanol (4 mM) were added cGMP (1 &#956;M) and 3H-cGMP (0.33 &#956;Ci/ml) to give a substrate buffer solution. A test substance solution and an enzyme solution which had been adjusted to an optimal concentration were added thereto to perform a reaction at 30° C. The enzyme reaction was stopped by the addition of Scintillation Proximity Assay (SPA) Beads (Perkin Elmer, USA) containing 5 mM 3-isobutyl-1-methylxanthine (IBMX). For the enzyme activity, the amount of 5&#8242;-GMP, which is a reaction degradation product bound to SPA beads, was measured with a TopCount microplate reader (Hewlett Packard, USA).
1135	1	Protease Inhibition Assay	Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of the cleavage reaction were quantified by HPLC detection, and data were fit to nonlinear least squares equations for determination of steady-state Michaelis-Menten kinetics.
1138	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1140	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1141	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1142	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1143	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
5943	2	Radioligand Binding Assay 	Radioligand binding assay using orexin receptor.
9	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1144	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1145	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1146	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
5951	1	Inhibition Assay	The measuring of the inhibitory activity in vitro of compounds in this invention on the enzyme 11bHSD1 using a Scintillation Proximity Assay (SPA) in 384-well format.
5954	1	Inhibition Assay	Inhibition of human DHODH activity assay:  DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol).  The substrate oxidation (Dihydrooroate, L-DHO), as well as cosubstrate reduction (coenzyme Q, CoQ) is coupled to the chromogen reduction, hence enzymatic activity results in a loss of chromogen absorbance at 600 nm.
5944	1	Kinase Assay	Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate.  The extend of peptide was determined by Homogeneous Time Resolved Fluorescence (HTRF) using a lanthanide chelate (Lance)-coupled monoclonal antibody specific for the phosphopeptide in combination with a streptavidin-linked allophycocyanin (SA-APC) fluorophore which will bind to the biotin moiety on the peptide. 
1147	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1148	1	Protease Inhibition Assay	Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. The products were analyzed by using HPLC with UV detection (225 nm) for quantification of the products. 
1151	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. 
1154	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was determined at 412 nm, with a spectrophotometer, for the AChE activity.
1157	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 10 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
1160	1	CYP19 Assay	Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-dione to estrone. The aqueous layer was extracted with chloroform, and the amount of radioactivity was determined by scintillation counting. Each sample was run in triplicate, and background values were determined with microsomal protein inactivated by boiling. Sample containing aminoglutethimide was used as a positive control.
1161	1	CYP19 Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta, 2beta-3H] testosterone or [1beta-3H] androstenedione during aromatization. After incubation, the reaction was terminated, and the charcoal-adsorbed steroids were separated by centrifugation. Aliquots of the supernatant were assayed for the presence of 3H-labeled H2O by counting using a liquid scintillation spectrometer.
1163	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
1167	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
1173	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS. The proteolytic activity can be monitored by the increase in fluorescence intensity, and the protease products were analyzed by HPLC.
1176	1	Protease Inhibition Assay	The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent reporter molecule on the other side of the cleavable bond. In the presence of HIV-l protease, the substrate is rapidly cleaved into two parts. The biotinylated amino terminal fragment binds to the avidin Pandex beads while the FITC-containing carboxy1 terminal fragment is removed through the membrane. In the presence of an HIV-l protease inhibitor, the substrate does not cleave and the intact peptide binds to the beads. The resulting fluorescence indicates that no enzymatic reaction has occurred. Sample detection was performed by excitation at 485 nm and reading the resulting epifluorescence at 535 nm.
1179	1	Protease Inhibition Assay	Protease activity was measured by continuous chromogenic assay.  The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was used as a substrate. Reactions were followed by the decrease of absorbance at 300 nm measured by spectrophotometer. Experimental results were analyzed by the nonlinear regression analysis, using a mathematical model for tight binding inhibitors.
1181	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1182	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1183	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1185	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1186	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1187	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS. The proteolytic activity can be monitored by the increase in fluorescence intensity, and the protease products were analyzed by HPLC.
1190	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS. The proteolytic activity can be monitored by the increase in fluorescence intensity, and the protease products were analyzed by HPLC.
6476	1	Scintillation Proximity Assay	In the present assay, the activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modified from the Amersham TRKQ7100 instructions (GE Healthcare, Arlington Heights, Ill., USA). PDE2A3 protein was obtained from FLAG purification of sf21 insect cells using standard affinity purification procedures for this tag (anti-FLAG M2, Sigma Aldrich, St. Louis, Mo., USA). Briefly, the SPA assays were performed using PDE SPA yttrium silicate beads (Perkin Elmer RPNQ0024; PerkinElmer, Inc., Waltham, Mass., USA) which bind preferentially to the linear nucleotide, GMP, compared to the cyclic nucleotide, cGMP. The, 3H-GMP product was detected using a Wallac MicroBeta scintillation counter. The reaction time was chosen with respect to the amount of time in which 10-20% of substrate was hydrolyzed by the enzyme. The assay was validated using PDE2-selective literature compounds.
6451	1	LanthaScreen TR-FRET Assay	The assay has been run at room temperature on a liquid handling robot. To the assay plates containing 50 mL compound or control solutions, 4.5 uL of solution A (50 mM Tris-HCl pH7.4, 2.0m MDTT, 0.05% Tween20, 0.02 mM Na3VO4) including a generic concentration of 2.0 uM ATP was added per well, followed by 4.5 uL of solution B (0.5% BSA) including a generic concentration of 50 nM poly(EAY) to give 9.05 uL of a reaction volume with final concentrations of 2.0 uM ATP, 50 nM poly(EAY), 25 mM Tris-HCl pH7.4, 1.0 mM DTT, 0.025% Tween20, 0.01 mM Na3VO4, 0.025% BSA as well as specific concentration of the respective enzyme and individual concentrations of divalent cations: (FGFR-3-K650E) 0.2 nM GST-FGR-3-K650E, 3.0 mM MgCl2, (KIT) 36.6 nM GST-KIT, 10 mM MnCl2, (RET) 0.11 nM GST-Xa-RET, 1.0 mM MnCl2, 10 mM MgCl2, (LCK) 3.3 nM His-LCK, 10 mM MnCl2. (KDR) 0.38 nM GST-KDR, 10 mM MgCl2, 1.0 mM MnCl2, (PDGFaV561D) 4.4 nM GST-PDGFRaV561D, 10 mM MnCl2.
1193	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS. The proteolytic activity can be monitored by the increase in fluorescence intensity, and the protease products were analyzed by HPLC.
6487	1	Homogeneous Time-Resolved Fluorescence Assay	Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 8967-8971, 1993; Liaw et al, Endocrinology 137, 72-77, 1996) are propagated in Dulbecco's modified Eagle medium supplemented with 10% foetal calf serum, non-essential amino acids, 100 U/ml penicillin, 100 mg/l streptomycin and 1 g/l geneticin. CHO cells expressing the rat CRF-2beta receptor (Wu et al, Endocrinology 148, 1675-1687, 2007) are propagated in HAM's-F12 Glutamax supplemented with 10% foetal calf serum, 100 IU/ml penicillin, 100 mg/l streptomycin, 600 ug/ml hygromycin, 10 ug/ml blasticidin and induced with 1 ug/ml of tetracyclin for 24 hours prior to experimentation. For cyclic AMP determinations the Homogeneous Time-Resolved Fluoresce (HTRF) CAMP dynamic 2 kit (Cisbio International, France) was used as per manufacturers' instructions.
1196	1	CYP19 Assay	Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-dione to estrone. The aqueous layer was extracted with chloroform, and the amount of radioactivity was determined by scintillation counting. Each sample was run in triplicate, and background values were determined with microsomal protein inactivated by boiling. Sample containing aminoglutethimide was used as a positive control.
1197	1	CYP19 Assay	Inhibition of human placental aromatase was determined by monitoring the amount of 3H2O released as the enzyme converts [1beta-3H]androst-4-ene-3,17-dione to estrone. The aqueous layer was extracted with chloroform, and the amount of radioactivity was determined by scintillation counting. Each sample was run in triplicate, and background values were determined with microsomal protein inactivated by boiling. Sample containing aminoglutethimide was used as a positive control.
1198	1	CYP19 Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the reaction was terminated, and the charcoal-adsorbed steroids were separated by centrifugation. Aliquots of the supernatant were assayed for the presence of 3H-labeled H2O by counting using a liquid scintillation spectrometer.
1198	2	CYP17 Assay	The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the byproduct 16 alpha-hydroxyprogesterone. Products were analyzed by HPLC. Peak areas were determined by integration of the resulting chromatograms. Substrate conversion was determined by product versus substrate peak areas. The inhibitory potencies were calculated using the diminished substrate conversion caused by the inhibitors.
1199	1	CYP11B Assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
1200	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1201	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1202	1	Aromatase Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the reaction was terminated by CHCl3 extraction and centrifugation. Aliquots of the water phase were assayed for the presence of 3H2O by counting using a liquid scintillation spectrometer.
1203	1	Aromatase Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the reaction was terminated by CHCl3 extraction and centrifugation. Aliquots of the water phase were assayed for the presence of 3H2O by counting using a liquid scintillation spectrometer.
1205	1	Aromatase Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the reaction was terminated by CHCl3 extraction and centrifugation. Aliquots of the water phase were assayed for the presence of 3H2O by counting using a liquid scintillation spectrometer.
1206	1	Aromatase Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1,2,6,7-3H ]androstenedione / androstenedione during aromatization. After incubation, the reaction was terminated, and the charcoal-adsorbed steroids were separated by centrifugation. Aliquots of the supernatant were assayed for the presence of 3H-labeled H2O by counting using a liquid scintillation spectrometer.
1207	1	Aromatase Assay	The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using [1beta-3H] androstenedione over 3 hrs, determined by measuring the total amount of 3H-labeled H2O formed during aromatization.
1207	2	Sulfatase Assay	The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using [6,7-3H] EIS over 3 hrs, determined by measuring the total amount of 3H-labeled estrone and estradiol formed.
1208	1	Aromatase Assay	The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the reaction was terminated, and the charcoal-adsorbed steroids were separated by centrifugation. Aliquots of the supernatant were assayed for the presence of 3H-labeled H2O by counting using a liquid scintillation spectrometer.
1210	1	Aromatase Assay	The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing concentrations of compounds. IC50 values of inhibition were calculated.
1212	1	CDK2/Cyclin E Enzyme Assay	Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma-33P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to Histidine tagged retinoblastoma. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
1213	1	CDK2/Cyclin E Enzyme Assay	Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma-33P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to Histidine tagged retinoblastoma. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
1214	1	CDK2/Cyclin E Enzyme Assay	Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma-33P] ATP. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to Histidine tagged retinoblastoma. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
1216	1	Protease Inhibition Assay	HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence intensity, and the protease products were analyzed by HPLC.  IC50 values were determined from a dose-response curve, whereas Ki values were obtained by fitting initial rates to a tight-binding inhibition equation.
1219	1	Fluorometric Assay	The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out in a 96-well flat bottom, polystyrene plates. Caspase activity was monitored using a Microplate Spectrofluorometer Gemini XS with an excitation wavelength of 365 nm and an emission wavelength of 495 nm. Kinetic data were collected over a 15 min assay run at room temperature. IC50 values were calculated through a four parameter fit curve using the computer application SOFTmax PRO. Ki(apparent) values were calculated using the following equation: Ki(app) = IC50/(1 + [substrate]/Km).
1221	1	Enzyme Inhibition Assay	Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with an excitation wavelength of 405 nm and an emission wavelength of 505 nm. Inhibition IC50 values were calculated based on the inhibition data obtained throughout the inhibitor concentration range from 0.3 nM to 300 uM.
1224	1	HIV-1 RT Assay	IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represents the mean of at least three determinations. The reproducibility of the assay was gauged using an internal standard.The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
1225	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
1226	1	Caspase Inhibition Assay	The rate of chromogenic substrate hydrolysis was monitored by the change of absorbance at 405 nm for 3 min. Compounds were tested in duplicate. The IC50 values were the average of three independent experiments.
1231	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC/AFC are processed by caspases with or without inhibitors, and the accumulation of AMC/AFC was assessed with a Cytofluor 4000 fluorescent plate reader (Perseptive Biosystems) at excitation and emission wavelengths of 360 and 460 nm (AMC) and 395 and 530 nm (AFC), respectively. Compounds were tested at a single dose (typically 5-50 uM), and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1237	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a Victor microplate fluorometer (Perkin-Elmer Life Sciences, Boston, MA) at excitation and emission wavelengths of 355 and 460 nm. Compounds were tested in duplicate, and IC50 curves were calculated for all inhibitors. Final IC50s were the average of three independent experiments. 
1247	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a Victor microplate fluorometer (Perkin-Elmer Life Sciences, Boston, MA) at excitation and emission wavelengths of 360 and 460 nm. Compounds were tested at a single dose (50 uM), and full IC50 curves were run for all compounds expressing measurable inhibitory activity. Results were expressed as mean values of three independent measurements.
1248	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a Victor microplate fluorometer (Perkin-Elmer Life Sciences, Boston, MA) at excitation and emission wavelengths of 360 and 460 nm. Compounds were tested at a single dose (50 uM), and full IC50 curves were run for all compounds expressing measurable inhibitory activity. Results were expressed as mean values of three independent measurements.
1250	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 412 nm for 2 min. Each inhibitor was evaluated at several concentrations in the range from 1 nM to 20 uM. Percentage inhibition was calculated relative to a control sample, and IC50 values displayed represent the mean +/- standard deviation for triplicate assays.
1251	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 412 nm for 2 min. Each inhibitor was evaluated at several concentrations in the range from 1 nM to 20 uM. Percentage inhibition was calculated relative to a control sample, and IC50 values displayed represent the mean +/- standard deviation for triplicate assays.
1253	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 405 nm. The activities were compared to the activity of a drug-free control and expressed as a percent of activity. IC50 values were determined at 0.2 mM total substrate concentration from a plot of percent enzyme activity versus -log[I], where [I] refers to inhibitor concentration. The presented values are the averages of three determinations.
1254	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 10 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
6488	1	Binding Assay	For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in CHO-K1 cells (5 ug/well) and 1 nM [3H]Ketanserin (PerkinElmer) were used in the presence of mianserin (20 uM) as a nonspecific. The reaction mixture was incubated for 60 min at 27 ° C. using 50 mM Tris-HCl (pH 7.4) buffer containing 4 mM CaCl2 and 0.1% ascorbic acid, and harvested through filtermate A glass fiber filter (Wallac, Finland) presoaked in 0.5% polyethyleneimine (PEI) by microbeta filtermate-96 harvester (PerkinElmer) to terminate the reaction, and then washed with ice cold 50 mM Tris-HCl buffer solution (pH 7.4). The filter was then covered with MeltiLex, sealed in a sample bag, dried in an oven. The radioactivity retained in the filter was finally counted using MicroBeta Plus (Wallac). For serotonin 5-HT2C binding, frozen membranes from stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor.
1257	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 10 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
6488	2	Binding Assay	For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin transporter membrane expressed in HEK-293 cells (PerkinElmer, 5 ug/well), [3H]Imipramine (PerkinElmer, 2 nM) and 50 mM Tris-HCl (pH 7.4) buffer containing 120 mM NaCl and 5 mM KCl. The reaction mixture was incubated for 30 min at 27° C., and harvested through filtermate A glass fiber filter presoaked in 0.5% PEI with ice cold 50 mM Tris-HCl buffer (pH 7.4) containing 0.9% NaCl.
1259	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 10 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
5960	1	Inhibition Assay	Inhibition assay using human BACE-1.
5963	1	Time-Resolved FRET Assay	A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain.  The assay monitored the increase of 620nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide).
1260	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 405 nM. Determinations of IC50 were made by least-squares fitting of the Hill equation to the percentage inhibition data. The presented values are the average of at least four determinations. Standard errors are less than 30% of the mean IC50 values.
1261	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 412 nm for 2 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
1262	1	Measurement of FBSAChE/EqBuChE Inhibitory Activity	Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine competitive and noncompetitive inhibitors. Plots of initial velocities versus substrate concentrations at a series of inhibitor concentrations were analyzed by nonlinear least-squares methods to determine the values of Km and Vmax. Nonlinear regression analysis of the plots of Vmax/Km values versus [THA-An] was used for the determination of Ki value
1263	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1271	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1273	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 414 nm. Data from concentration-inhibition experiments of the inhibitors were calculated by non-linear regression analysis to give estimates of the IC50 (concentration of drug producing 50% of enzyme activity inhibition). Results are expressed as mean +/- S.E.M. of at least 4 experiments performed in triplicate. 
1275	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by E llman. Inhibition of enzyme activity was measured over a substrate concentration  range of 0.03-3.5 mM and at least six inhibitor concentrations. Plots of [I ]vi/(vo-vi) versus [substrate] at different inhibitor concentrations were analyz ed by linear least squares methods to determine Ki values from the y-intercept.
1276	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1280	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 412 nm for 2 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
1281	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 412 nm for 2 min. Each inhibitor was evaluated at several concentrations in the range from 1 nM to 20 uM. Percentage inhibition was calculated relative to a control sample, and IC50 values displayed represent the mean +/- standard deviation for triplicate assays.
1282	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 &#176;C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
1283	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 &#176;C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
1285	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1286	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1290	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1292	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1294	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1296	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1317	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30&#176;C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
1321	1	Enzyme Inhibition Assay	The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU was quantified using a Perkin Elmer LS2 fluorimeter (excitation 366 nm, emission 445 nm).
1321	2	PDE 4A Assay	Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the PDE-SPA kit from Amersham Pharmacia Biotech.
1323	1	Enzyme Inhibition Assay	The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU was quantified using a Perkin Elmer LS2 fluorimeter (excitation 366 nm, emission 445 nm).
1325	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations. 
1334	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
1335	1	Kinase Inhibition Assay	Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 &#176;C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
1336	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1339	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 420 nm after 10 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
1340	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were obtained from replots of the slopes of reciprocal plots of initial velocity and substrate concentrations vs inhibitor concentration.
1341	1	Enzyme Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman.  Enzyme activity was determined by measuring the absorbance at 412 nm for 5 min, relative to the drug-free control. Triplicate measurements were carried out at a total of 8 drug concentrations. The IC50 values were determined from a plot of percentage of inhibition vs -log [drug].
1342	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1344	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined. 
1347	1	MAO A and MAO B Activity Measurements	MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively.  Competitive Ki values for both enzymes were determined by measuring initial rates of substrate oxidation in the presence of varying concentrations of inhibitor. Apparent Km values for each inhibitor concentration (slopes of double reciprocal plots) were plotted as a function of inhibitor concentration, and the Ki values were determined.
1348	1	MAO A and MAO B Activity Measurements	MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively.  Competitive Ki values for both enzymes were determined by measuring initial rates of substrate oxidation in the presence of varying concentrations of inhibitor. Apparent Km values for each inhibitor concentration (slopes of double reciprocal plots) were plotted as a function of inhibitor concentration, and the Ki values were determined.
1349	1	MAO Inhibition Assay	MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perkin-Elmer LS 50B spectrofluorimeter. Dixon plots were used to estimate the inhibition constant (Ki) of the inhibitors. The data are the mean values of three or more experiments performed in duplicate.
1350	1	MAO Inhibition Assay	MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates of substrate oxidation in the presence of varying concentrations of inhibitor. Apparent Km values for each inhibitor concentration (slopes of double reciprocal plots) were plotted as a function of inhibitor concentration, and the Ki values were determined.
1351	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations. 
1360	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1363	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1368	1	DPPIV Inhibition Assay	The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1372	1	DPPIV Inhibition Assay	The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of regression lines of modified Dixon plots of uninhibited velocity/inhibited velocity versus inhibitor concentration. Ki was calculated using substrate concentration [S], substrate Km, and IC50 with Ki = IC50 x (1/(1 + [S]/Km)). Compounds were assayed in duplicate.
1373	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1377	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1380	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1384	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1396	1	3CL Protease Enzyme Assays	The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse-phase HPLC. Quantification of peak areas was used to determine the extent of substrate conversion. Ki was calculated using the equation of Cheng and Prusoff. 
1397	1	SARS-CoV 3CL Protease Inhibition Assay	The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of the substrate peptide was monitored at 538 nm with excitation at 355 nm. The Ki measurements were performed at two fixed inhibitor concentrations and various substrate concentrations.
1398	1	SARS-CoV 3CL Protease Inhibition Assay	The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of the substrate peptide was monitored at 538 nm with excitation at 355 nm. The Ki measurements were performed at two fixed inhibitor concentrations and various substrate concentrations.
1399	1	SARS-CoV 3CL Protease Inhibition Assay	The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of the substrate peptide was monitored at 538 nm with excitation at 355 nm. The initial velocities of the inhibited reactions of 50 nM SARS 3CL protease and 6 uM fluorogenic substrate were plotted against the different inhibitor concentrations to obtain the IC50.
1401	1	SARS-CoV 3CL Protease Inhibition Assay	The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of the substrate peptide was monitored at 538 nm with excitation at 355 nm. The initial velocities of the inhibited reactions of 50 nM SARS 3CL protease and 6 uM fluorogenic substrate were plotted against the different inhibitor concentrations to obtain the IC50.
1403	1	Kinase Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with scintillation counter. IC50 values were calculated from dose-response curves; from these calculated apparent inhibition constants (Ki) were obtained using the Cheng-Prusoff equation: Ki = IC50/ (1 + ([ATP]/Km)).
1404	1	Kinase Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with scintillation counter. IC50 values were calculated from dose-response curves; from these calculated apparent inhibition constants (Ki) were obtained using the Cheng-Prusoff equation: Ki = IC50/ (1 + ([ATP]/Km)).
1405	1	Carbonic Anhydrase Enzyme Inhibition Assay	Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorption coefficient of 18400 M-1 cm-1 was used for the 4-nitrophenolate formed by hydrolysis. Ki values were obtained from Easson-Stedman plots using a linear regression program, from at least three different assays. Standard errors were of 5-10%.
1417	1	CA Inhibition Assay	The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzyme activity is proportional to the volume of NaOH solution required to maintain the pH of the reaction mixture at a predetermined value. IC50 is the inhibitor concentration resulting in 50% inhibition of the enzyme activity, was obtained from the plot of the net rate (slope) increase of NaOH addition against log inhibitor concentration.
1417	2	In vitro binding of inhibitor to hCA-II	Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determined by measuring and comparing the average fluorescence intensities of the treated versus control reactions. Binding constants were estimated from a Dixon plot of the data (reciprocal of the average fluorescence intensity versus inhibitor concentration)
6497	1	Radioligand Binding Assay	HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2X10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000 ug for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer.
1421	1	CDK Inhibition Assay	In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. Assays were performed in 96-well polypropylene plates. 33P incorporation into substrate was measured using a scintillation counter.
1439	1	CDK Inhibition Assay	In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. Assays were performed in 96-well polypropylene plates. 33P incorporation into substrate was measured using a scintillation counter.
1439	2	GSK-3 beta Inhibition Assay	In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-33P] ATP. Assays were performed in 96-well polypropylene plates. 33P incorporation into substrate was measured using a scintillation counter.
1440	1	CDK2/Cyclin E and CDK4/Cyclin D1 Kinase Assay	The enzyme was assayed with substrate GST-Rb in the presence of 10 uM ATP/[gamma-33P] ATP, and capturing the 33-P labeled reaction products on GSH-Sepharose beads. IC50 is the inhibitor concentration, which inhibits 50% of enzyme activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to GST-Rb. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting.
1440	2	CDK1/Cyclin B Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 0.5 uM ATP/ [gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Streptavidin-coated SPA beads, counted using TopCount (Packard) to measure substrate-incorporated phosphate.   
1445	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1461	1	In Vitro DPP-IV Inhibition Assays	Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate cleavage. Inhibitor potency was evaluated by fitting inhibition data to the binding isotherm, and IC50 for each compound was calculated. IC50 values were further converted to Ki values using the equation: Ki = IC50/[1 + (S/Km)]. 
1462	1	MMP Inhibition Assay	The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence measurements were performed in a CytoFluor multiwell plate reader. Cleavage of internal quenched substrate liberates emission-active Mca product, causing an increase in fluorescence emission at 395 nM (the excitation wavelength is 330 nM). The rate of emission change is proportional to enzyme activity. Plotting the inhibitor concentration vs fractional velocity for each enzyme, and fitting the data by a tight binding inhibition equation determined apparent Ki values.
1466	1	DPPIV Inhibition Assay	The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and measurement of fluorescent emission at 450 nm. To assess the inhibitory potential of the compounds, IC50 values were determined from at least two independent measurements carried out as triplicates.
1467	1	Fluorogenic Assay	DPP-IV inhibitors were measured for their ability to inhibit DPP-IV mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay. The compounds were measured in triplicate at 5 to 7 concentrations in the range of 100 uM to 100 pM. IC50 values were calculated with a nonlinear best-fit regression model. All assays were calibrated with NVP-DPP728 as internal standard inhibitor.
1469	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1481	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1482	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1483	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1491	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at 415 nm. The activities were compared to the activity of a drug-free control and expressed as a percent of activity. IC50 values were determined from a plot of percent enzyme activity versus -log[I], where [I] refers to inhibitor concentration. The presented values are the averages of three determinations.
1492	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus microplate spectrophotometer. A sigma plot was used to obtain the IC50 values.
1498	1	ChC Enzyme Inhibition Assay	The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial velocities were thus estimated using the direct linear plot-based procedure. The inhibition constant Ki was then determined by using Easson-Stedman plots and a linear regression program.
1504	1	PKB In Vitro Kinase Assay	An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide. When this substrate is phosphorylated by the kinase, the product is recognized by a substrate/sequence-specific antibody, which binds to particular phosphorylated serine residues. The amount of phosphorylated peptide was measured by the enzyme-catalyzed ABTS conversion and photometrical measurement at 405 nm. Calculation of IC50 values was performed with ActivityBase.
1504	2	Fluorescence Polarization-based Assay	In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an antiphosphoserine antibody. In a reaction mixture containing phosphopeptide product, the fluorescent tracer is displaced from the antibody and the emission signal becomes depolarized. Enzymatic activity was measured by detection of fluorescence polarity in a Victor 2 reader (Wallac, Finland). To determine IC50 values, the compounds were tested in the concentration range from 100 uM to 20 pM. Calculation of IC50 values was performed with ActivityBase.
1505	1	PKB In Vitro Kinase Assay	An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide. When this substrate is phosphorylated by the kinase, the product is recognized by a substrate/sequence-specific antibody, which binds to particular phosphorylated serine residues. The amount of phosphorylated peptide was measured by the enzyme-catalyzed ABTS conversion and photometrical measurement at 405 nm. Calculation of IC50 values was performed with ActivityBase.
1505	2	Fluorescence Polarization-based Assay	In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an antiphosphoserine antibody. In a reaction mixture containing phosphopeptide product, the fluorescent tracer is displaced from the antibody and the emission signal becomes depolarized. Enzymatic activity was measured by detection of fluorescence polarity in a Victor 2 reader (Wallac, Finland). To determine IC50 values, the compounds were tested in the concentration range from 100 uM to 20 pM. Calculation of IC50 values was performed with ActivityBase.
1507	1	MMP Enzyme Inhibition Assay	Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrophotometric method. The change of absorbance at 405 nm was monitored. The inhibition constant Ki was then determined by using Easson-Stedman plots and a linear regression program.
1517	1	Enzyme Inhibition Assay	Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched fluorogenic peptide substrate. The increase in fluorescence due to cleavage of the substrate was measured with a fluorescence microplate reader. The Ki values were calculated by nonlinear regression analysis using the percent inhibition, and Km values of the substrates for each MMP. 
1527	1	In Vitro DPP-IV Inhibition Assays	Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate cleavage. Inhibitor potency was evaluated by fitting inhibition data to the binding isotherm, and IC50 for each compound was calculated. IC50 values were further converted to Ki values using the equation: Ki = IC50/[1 + (S/Km)]. 
1528	1	In Vitro DPP-IV Inhibition Assays	Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate cleavage. Inhibitor potency was evaluated by fitting inhibition data to the binding isotherm, and IC50 for each compound was calculated. IC50 values were further converted to Ki values using the equation: Ki = IC50/[1 + (S/Km)]. 
1529	1	In Vitro Binding for Human Carbonic Anhydrase II	The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-Elmer MPF-44B fluorescence spectrophotometer. The excitation and emission wavelengths were set at 280 and 460 nm, respectively. Fluorescence intensities were recorded, corrected for dilution by the titrant, and fitted by nonlinear least squares to a model in which the compound and dansylamide compete for a single binding site. All binding determinations were done a minimum of three times.
1531	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1539	1	HPLC Assay	For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Burk plot of rate versus substrate concentration, the values of Ki was obtained using replots of inhibitor concentration against Km/Vmax and I/Vmax. To eliminate false positives resulting from fluorescence quenching by test compounds, high-performance liquid chromatography(HPLC) was used to separate the cleavage product and inhibitor compounds. The IC50 values were evaluated using six different concentrations of the inhibitor ranging from 0.3 to 40 ug/mL and measuring the fluorescence peak of the C-terminal cleavage product.
1539	2	Enzyme Inhibition Microplate Assay	For selected lead compounds from fluorescence-based high-throughput screening, the concentrations of inhibitor that caused 50% inhibition of enzymatic reaction (IC50) were calculated by plotting percent inhibition against the logarithm of inhibitor concentration (at least 6 points), and the mean values of at least 3 experiments with standard deviation less than 15 %.  Km and Vmax were calculated using the double-reciprocal Lineweaver-Burk plot of rate versus substrate concentration, the values of Ki was obtained using replots of inhibitor concentration against Km/Vmax and I/Vmax.
1540	1	Fluorescence Resonance Energy Transfer Assay (FRET)	The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage of the substrate by LF released the fluorophore and full fluorescence was restored. Fluorescence intensity (Ex: 320 nm, Em: 420 nm) was monitored for 15 min at room temperature and the Ki values were calculated using the program BatchKi (BioKin Ltd., Pullman, WA).
1541	1	In vitro binding of inhibitor to hCA-II	Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determined by measuring and comparing the average fluorescence intensities of the treated versus control reactions. Binding constants were estimated from a Dixon plot of the data (reciprocal of the average fluorescence intensity versus inhibitor concentration)
1542	1	CDK Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at 30 &#176;C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P incorporation was measured with a Top Count (Packard). IC50 values were calculated from dose-response curves.
1545	1	Falcipain Enzyme Inhibition Assay	The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsystems Fluoroskan Ascent spectrofluorometer. IC50 values were determined from plots of percent activity over concentration using GraphPad Prism software.
1546	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1547	1	Caspase Inhibition Assay	The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytofluor fluorescent plate reader at excitation and emission wavelengths of 380 and 460 nm. Compounds were tested, and full IC50 curves were run for all compounds expressing measurable inhibitory activity.
1548	1	Enzyme Assay and Determination of the Inhibition Constants.	Inhibition of the matrix metalloproteinases MMP-2, MMP-3, and MMP-8 has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydrolysis was followed by measuring the increase in relative fluorescence at 393 nm (excitation at 328 nm) due to the formation of product. Data analysis has been performed by assuming a reversible inhibition with rapid binding of the enzyme to the inhibitor.
1549	1	HIV-1 RT Assay.	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
1550	1	CDK Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at 30 &#194;&#176;C with substrate, and test compounds in the presence of 12.5 uM ATP/ [gamma-32P] ATP. 32P incorporation into histone H1 by using a Phospho-Image plate read on an FLA3000 plate reader, and the resulting images were analyzed using ImageGauge. IC50 values were determined by least-squares fitting of the data to the Hill equation.
1551	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1551	2	Kinase Multiscreen Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using Multiscreen phosphocellulose filter (Millipore), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1553	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1554	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1555	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3 alpha and streptavidin-linked XL665 fluorophore which bound to the biotin moiety on the substrate peptide. 
1557	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1563	1	Enzyme Inhibition Assay	The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus microplate spectrophotometer. A sigma plot was used to obtain the IC50 values.
1567	1	Enzyme Inhibition Assay	The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus microplate spectrophotometer. A sigma plot was used to obtain the IC50 values.
1570	1	Enzyme Inhibition Assay	HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM HIV-1 protease and rates were determined by following the change in fluorescence intensity (excitation 340 nM, emission 490 nM) that accompanies the cleavage of the fluorogenic substrate. The percent inhibition of enzyme activity in the presence of inhibitor was determined by comparing inhibition rates with uninhibited control reactions. All IC50 values were determined with a range of inhibitor concentrations using the relation IC50 = (100/ percent inhibition - 1) x inhibitor concentration.
1571	1	Enzyme Inhibition Assay	A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptide substrate. The measurements were performed in 96-well plates with a Fluoroscan plate reader. Excitation and emission wavelengths were 355 nm and 500 nm, respectively. 
1572	1	In Vitro Src Kinase Inhibition Test	This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized poly (Glu,Tyr) substrate detected using anti-phosphotyrosine monoclonal antibody conjugated to alkaline phosphatase. IC50 values for compound enzyme inhibition were obtained using KC3 Kineticalc software (Bio-Tek Instruments) following subtraction of the blank values.
1578	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1582	1	Kinase Inhibition Assay	The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated FlashPlate (Perkin-Elmer, Boston, MA). Inhibition of the enzymatic activity due to the compound was measured by observing a reduced amount of 33P-gamma-ATP incorporated into the immobilized peptide relative to untreated controls. Linear regression analysis of the percent of inhibition by the test compound was used to calculate IC50 values. 
1583	1	CYP2A6 Inhibition Assay	To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluorometrically at excitation and emissions wavelengths of 355 and 460 nm, using a Wallac Victor2 1420 counter. The amount of product formed was obtained by interpolation from a standard curve of 7-hydroxycoumarin. The IC50 values were determined using GraphPad Prism version 3.0 and are reported as an average of three experiments. Apparent Ki values were determined from the IC50 values by employing the equation of Cheng and Prusoff.
1587	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1589	1	Recombinant Aurora A Enzyme Assay	In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the presence of 25 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Wallac Beta Counter. IC50 values were calculated using ORIGIN Scientific Graphing Analyses.
1590	1	Competitive Displacement Binding Assay	The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by increasing concentrations of the inhibitor using Perkin-Elmer lambda 50-B spectrofluorometer. The excitation and emission wavelengths were maintained at 330 and 448 nm.  Since the binding of the inhibitor competitively displaced dansylamide from the enzyme site, the fluorescence intensity at 448 nm decreased. The dissociation constant of the enzyme-inhibitor complex was determined by monitoring the decrease in the fluorescence of the enzyme-dansylamide complex as a function of the increasing concentration of the inhibitor.
1591	1	DPP Inhibition Measurements	The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determined experimentally using at least six different concentrations of inhibitor. All measurements were carried out in duplicate.
1597	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
1599	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1602	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1603	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1605	1	Thrombin Assay	The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature on a Packard Fusion plate reader. Initial reaction rates were measured, and IC50s were calculated from replicate curves using GraphPad Prizm software, and standard errors and P values were within statistically acceptable limits. Assay standards were provided by benzamidine and proflavin. Benzamidine and proflavin were found to have IC50 values of 440 and 12 uM, respectively.
1606	1	Enzyme Assay and Determination of the Inhibition Constants.	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1607	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respective enzyme Km. The phosphorylated substrate was analyzed by adding lance europium anti-rabbit IgG and anti-His-allophycocyanin, resulting in fluorescence resonance energy transfer between europium anti-rabbit and allophycocyanin, and quantified by fluorescence intensity ratio 665 nm/615 nm (excited at 340 nm).  IC50 values were calculated from net readings at 665 nm, normalized for europium readings at 615 nm.
1613	1	DPPIV Inhibition Assay	The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1616	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1617	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1620	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1621	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1623	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1624	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1626	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1628	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1632	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1633	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
1634	1	Enzyme Inhibition Assay	HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) and acceptor (DABCYL) were labeled at two ends of peptide substrate to perform FRET. Fluorescence measurements were carried out on a fluorescence spectrophotometer. Excitation and emission wavelengths were set at 340 and 490 nm. Inhibitor binding dissociation constant Ki was obtained by nonlinear regression fitting to the plot of initial velocity as a function of inhibitor concentrations based on Morrison equation. The initial velocities were derived from the linear range of reaction curves.
1638	1	Kinase Assay	A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptorsubstrate.
1639	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1645	1	Enzyme Inhibition Assay	Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emission wavelength of 460 nm on a Wallac 1420 Multilabel Counter excited at 355 nm using a continuous source. The data were fit to a dose-response one-site model using a nonlinear least-squares algorithm to determine the IC50 and Hill coefficient.
1651	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
1652	1	Enzyme Inhibition Assay	The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously at 405 nm by a Spectra Rainbow Thermo Reader (Tecan), and fluorescence was measured at 360/465 nm by a SPECTRAFluor Plus microplate reader (Tecan).
1654	1	Radiochemical Assay of PNMT Inhibitors	Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a methyl donor. Ki values were determined by a hyperbolic fit of the data using the single substrate-single inhibitor routine in the enzyme kinetics module(version 1.1) in SigmaPlot (version 7.0).
1655	1	Homogeneous Time-resolved Fluorescence (HTRF) Assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
1656	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1661	1	Carbonic Anhydrase Inhibition Assay	The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate produces p-nitrophenol, which has an absorption peak at 384nm, which allows for colorimetric determination of product and subsequent calculation of enzyme activity. The percentage inhibition was defined relative to the maximal activity, which was measured without inhibitor. IC50 values were obtained from a graph of percent inhibition versus inhibitor concentration and calculated using Prism (Graphpad Software, CA).
1661	2	Measurement of Dissociation Constant	Dissociation constant of 667-coumate was measured for tight-binding inhibitors of CA II. The formation of the 4-nitrophenol was monitored at 348 nm for 2 min using a PerkinElmer Lambda 4.0 spectrometer, and rates were derived using Kinlab software. Inhibition constants were determined with 667-coumate at final concentrations of 33, 83, 166 and 250 nM, with each assay conducted at least in triplicate.
1662	1	Carbonic Anhydrase Enzyme Inhibition Assay	Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorption coefficient of 18400 M-1 cm-1 was used for the 4-nitrophenolate formed by hydrolysis. Ki values were obtained from Easson-Stedman plots using a linear regression program, from at least three different assays. Standard errors were of 5-10%.
1662	2	hCA IX Enzyme Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm.
1663	1	Carbonic Anhydrase Enzyme Inhibition Assay	Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorption coefficient of 18400 M-1 cm-1 was used for the 4-nitrophenolate formed by hydrolysis. Ki values were obtained from Easson-Stedman plots using a linear regression program, from at least three different assays. Standard errors were of 5-10%.
1664	1	Enzyme Inhibition Assay	Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, which can be quantitated by HPLC. The IC50 is calculated from control reaction without the inhibitor. The mean IC50 was obtained from two independent measurements, and the standard deviation of the mean was less than 10%. The mean Ki values reported have been derived from the mean IC50. 
1668	1	Fluorescence Polarization Competitive Binding Assay	A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity of Smac mimetics to XIAP protein. The polarization values were measured after 3 hrs of incubation when the binding reached equilibrium. IC50 values, the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using Prism (GRAPHPAD). The binding affinity (Ki) of tested compound was calculated using the equation developed for computing the Ki value in FP-based binding assays.
1669	1	Fluorescence Polarization Competitive Binding Assay	A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity of Smac mimetics to XIAP protein. The polarization values were measured after 3 hrs of incubation when the binding reached equilibrium. IC50 values, the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using Prism (GRAPHPAD). The binding affinity (Ki) of tested compound was calculated using the equation developed for computing the Ki value in FP-based binding assays.
1670	1	Ligand Binding Assay	A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polarization measurements were carried out on an Analyst 96-well plate reader. 6-Carboxyfluorescein (FAM) labeled peptides with the sequences AVPIAQK (FAM)-NH2 was used as a probe. Dissociation constants were determined from titration curves with in-house written software.
1671	1	Ligand Binding Assay	A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polarization measurements were carried out on an Analyst 96-well plate reader. 6-Carboxyfluorescein (FAM) labeled peptides with the sequences AVPIAQK (FAM)-NH2 was used as a probe. Dissociation constants were determined from titration curves with in-house written software.
1673	1	Fluorescence Polarization Competitive Binding Assay	A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity of Smac mimetics to XIAP protein. The polarization values were measured after 3 hrs of incubation when the binding reached equilibrium. IC50 values, the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using Prism (GRAPHPAD). The binding affinity (Ki) of tested compound was calculated using the equation developed for computing the Ki value in FP-based binding assays.
1674	1	Fluorescence Polarization Competitive Binding Assay	A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity of Smac mimetics to XIAP protein. The polarization values were measured after 3 hrs of incubation when the binding reached equilibrium. IC50 values, the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using Prism (GRAPHPAD). The binding affinity (Ki) of tested compound was calculated using the equation developed for computing the Ki value in FP-based binding assays.
1675	1	Lck Kinase Inhibition Assay	IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to enolase protein substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting of the substrate.
1679	1	Enzyme Assay and Determination of the Inhibition Constants.	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1681	1	PFT IC50 Determination	Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were calculated using linear regression analysis of the plots of [3H] farnesyl pyrophosphate (FPP) prenylation versus concentration of compounds. 
1682	1	PfPFT and Rat PFT IC50 Determination	Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were calculated using linear regression analysis of the plots of [3H] farnesyl pyrophosphate (FPP) prenylation versus concentration of compounds. 
1684	1	p38alpha Kinase Enzyme Assay	IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to the substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting, and IC50s were calculated from replicate curves using GraphPad Prizm software.
1685	1	PFT IC50 Determination	Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were calculated using linear regression analysis of the plots of [3H] farnesyl pyrophosphate (FPP) prenylation versus concentration of compounds. 
1686	1	Enzyme Inhibition Assay	The in vitro activity of compounds inhibiting FTase or GGTase-I was determined by using scintillation proximity assay (SPA) technology. The assays were performed with recombinant human FTase or purified bovine brain GGTase-I, [3H]-FPP and a biotin conjugated decapeptide substrate. The counts associated with the beads were determined using a Packard TopCount scintillation plate reader.
1692	1	Carbonic Anhydrase Inhibition Assay	The in vitro inhibition of carbonic anhydrase was assessed by a colorimetric assay. Carbonic anhydrase-catalysed hydrolysis of p-nitrophenyl acetate produces p-nitrophenol, which has an absorption peak at 384nm, which allows for colorimetric determination of product and subsequent calculation of enzyme activity. The percentage inhibition was defined relative to the maximal activity, which was measured without inhibitor. IC50 values were obtained from a graph of percent inhibition versus inhibitor concentration and calculated using Prism (Graphpad Software, CA).
1694	1	Phosphatase Inhibition Assay	The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic measurements were measured using 3-5 concentrations of inhibitor around the IC50 over a range of substrate concentrations (3-500 uM). Data were used to determine Km/Ki/competitive inhibition using GraphPad Prism software.
1696	1	Phosphatase Inhibition Assay	The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 410 nm on a spectramax 384 plate reader. Slopes of initial reaction rates (15 minute reactions) were plotted and fit to the Michaelis-Mention equation by nonlinear regression analysis (Graphpad Prism). 
1699	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1702	1	Kinase Assay and Binding Constant Measurement	Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test compound. The binding constant of test compound (Kd) is calculated by the equation: Kd=(Kd(probe)/(Kd(probe)+[probe])) x [test]1/2. Kd(probe) is the bnding constant for the interaction between kinase and immobilized ligand.[probe] is the concentration of immobilized ligand. [test]1/2 is the concentration of free test compound in the midpoint of transition. If [probe] is <<Kd (probe), Kd = [test]1/2, and the Kd is independent of the affinity between the kinase and immobilized ligand. 
1708	1	In Vitro Kinase Assay	The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubation, the reaction was stopped, and the 32P-phosphorylated substrate was determined by scintillation counting.
1709	1	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The compound concentration producing 50% of enzyme inhibition (IC50) was determined.
1713	1	Serine Protease Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1717	1	Serine Protease Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1720	1	Serine Protease Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1722	1	PTP1B and TCPTP Inhibition Assay	Hydrolysis of  substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 nm, respectively. Concentrations of inhibitors that resulted in 50% reduction of enzyme activity (IC50) were derived by fitting reaction rates obtained in the presence and absence of compounds to a 4-parameter equation using GraFit 4.0.10.
1723	1	PTP1B Inhibition Assay	Hydrolysis of substrate p-nitrophenyl phosphate was monitored on a 96-well microplate reader. Concentrations of PTP1B inhibitors that resulted in 50% reduction of enzyme activity (IC50) were derived by fitting reaction rates obtained in the presence and absence of compounds.
1724	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1724	2	Thrombin Inhibition Assay	The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1731	1	Protease Inhibition Assay	The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1732	1	Human and Mouse 11beta-HSD1 SPA Assay	Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine enzyme activities. The radioactive cortisol generated in the assay was captured by a monoclonal anti-cortisol antibody and SPA beads coated with anti-mouse antibodies. Radiometric quantitation was determined on a TopCount NXT instrument. 
1733	1	Human and Mouse 11beta-HSD1 SPA Assay	Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine enzyme activities. The radioactive cortisol generated in the assay was captured by a monoclonal anti-cortisol antibody and SPA beads coated with anti-mouse antibodies. The plate was read using a liquid scintillation counter, The percent inhibition was calculated relative to a noninhibited control and plotted against compound concentration to generate the IC50 results.
1737	1	Enzyme Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored at 405 nm using a Thermomax kinetic plate reader (Molecular Devices).  The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km.
1738	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1739	1	Phosphatase Inhibition Assay	The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 410 nm on a spectramax 384 plate reader. Slopes of initial reaction rates (15 minute reactions) were plotted and fit to the Michaelis-Mention equation by nonlinear regression analysis (Graphpad Prism). 
1740	1	PTP1B and TCPTP Inhibition Assay	Hydrolysis of  substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 nm, respectively. Concentrations of inhibitors that resulted in 50% reduction of enzyme activity (IC50) were derived by fitting reaction rates obtained in the presence and absence of compounds to a 4-parameter equation using GraFit 4.0.10.
1741	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1741	2	Thrombin Inhibition Assay	The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
50016690	1	ChEMBL_322346 (CHEMBL873517)	Inhibitory concentration against Sal2 (salivary gland carcinoma) cell line expressing active HER2
1750	1	Protease Inhibition Assay	The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1751	1	Protease Inhibition Assay	he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
1752	1	Protease Inhibition Assay	The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spectrophotometer equipped with a 7-cell sample handling system.
1754	1	Protease Inhibition Assay	The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spectrophotometer equipped with a 7-cell sample handling system.
1756	1	Protease Inhibition Assay	The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic substrate. 
1757	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1761	1	PTP1B and TCPTP Inhibition Assay	The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15 min using a plate reader. For each concentration of test compound or DMSO control, the initial rates were used to fit the rectangular hyperbola of Michaelis-Menten by nonlinear regression analysis. The ratio of the apparent Km/Vmax vs inhibitor concentration was plotted, and the Ki was calculated by linear regression to be the negative X-intercept.
1762	1	PTP1B and TCPTP Inhibition Assay	The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15 min using a plate reader. For each concentration of test compound or DMSO control, the initial rates were used to fit the rectangular hyperbola of Michaelis-Menten by nonlinear regression analysis. The ratio of the apparent Km/Vmax vs inhibitor concentration was plotted, and the Ki was calculated by linear regression to be the negative X-intercept.
1764	1	PTP1B and TCPTP Inhibition Assay	The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15 min using a plate reader. For each concentration of test compound or DMSO control, the initial rates were used to fit the rectangular hyperbola of Michaelis-Menten by nonlinear regression analysis. The ratio of the apparent Km/Vmax vs inhibitor concentration was plotted, and the Ki was calculated by linear regression to be the negative X-intercept.
1765	1	PTP1B and TCPTP Inhibition Assay	The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15 min using a plate reader. For each concentration of test compound or DMSO control, the initial rates were used to fit the rectangular hyperbola of Michaelis-Menten by nonlinear regression analysis. The ratio of the apparent Km/Vmax vs inhibitor concentration was plotted, and the Ki was calculated by linear regression to be the negative X-intercept.
1766	1	In Vitro FTase Inhibition Assay	Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombinant protein substrate. Incorporation of the labeled farnesyl group into the protein substrate was quantitated by precipitation of total protein with acid and scintillation counting. The inhibitory activity of the compounds is reported as an IC50 value, the concentration of inhibitor required to reduce radiolabel incorporation by 50% compared with an uninhibited control experiment.
1770	1	Kinase Activity Assay	The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containing enzyme, substrate, and inhibitor. The decrease of NADH was time-dependent, and was measured at 340 nm with three independent measurements per data point. IC50 values were calculated using SigmaPlot 8.0 and Origin 5 software.
1770	2	Kinase Inhibition Assay 	The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped, and the 33P-phosphorylated substrate was determined by scintillation counting.
1774	1	Kinase Activity Assay	The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containing enzyme, substrate, and inhibitor. The decrease of NADH was time-dependent, and the absorbance changed at 340 nm was monitored. The inhibition constant, Ki for inhibiting PKA and ROCK were obtained from dose-response titration curves.
1775	1	ROCK 1 Kinase Activity Assay	The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of  33P into the peptide was quantified by Scintillation Proximity Assay (SPA - Amersham Pharmacia).
1776	1	ROCK 1 Kinase Activity Assay	The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of  33P into the peptide was quantified by Scintillation Proximity Assay (SPA - Amersham Pharmacia).
1777	1	Enzyme Assay and Determination of the Inhibition Constants.	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1778	1	Radiochemical Assay for PNMT Activity	Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a methyl donor. Ki values were determined by a hyperbolic fit of the data using the single substrate-single inhibitor routine in the enzyme kinetics module(version 1.1) in SigmaPlot (version 7.0).
1778	2	alpha-Adrenoceptor Radioligand Binding Assay	The binding affinity of compound was evaluated using [3H] Clonidine as ligand in competition binding experiments. Nonspecific binding was determined as the concentration of ligand bound in the presence of 2 uM phentolamine. Ki values were determined by the equation: Ki = IC50/(1 + [clonidine]/KD).
1779	1	Enzyme Inhibition Assay	Thrombin-catalyzed hydrolysis rates were measured spectrophotometrically using human alpha-thrombin, a chromogenic substrate in aqueous buffer, and a microplate reader. Changes in absorbance at 405 nm were monitored upon addition of enzyme both with and without inhibitor present. The IC50 values were determined by fixing the enzyme and substrate concentrations and varying the inhibitor concentration. Ki values were determined by fixing the enzyme and inhibitor concentrations and varying the substrate concentration. Michaelis-Menton kinetics was applied to the initial reaction slopes using the program K.Cat (Bio Metallics Inc.).
1789	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1801	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1802	1	Mixed-Lineage Kinase Assays	The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculated by nonlinear regression using the sigmoidal dose-response (variable slope) equation in GraphPad Prism. 
1804	1	Aurora Kinase Inhibition Assay	The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme. The phosphorylation of serine 10 was detected colorimetrically using Phospho-Histone H3 (Ser10) (6G3) Mouse mAb (9706, Cell Signaling Technologies, Danvers, MA).
1804	2	FLT3 Inhibition Assay	The compounds were tested for their ability to inhibit the phosphorylation of poly(Glu:Tyr) by purified recombinant human FLT3. The extent of phosphorylation was quantitated by a fluorescent polarization competition immunoassay (Ex: 485 nm, Em:530 nm) using an anti-phosphotyrosine antibody and a phosphotyrosine tracer (Green Tyrosine Kinase Assay Kit, PanVera P2837).
1806	1	Enzymatic Assay	The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate (pNPP) was measured by following the absorbance change at 405 nm. IC50 value was determined under fixed pNPP concentration of 1 mM. All the assays were carried out in duplicate or triplicate and the average results are presented. Ki is derived from IC50 based on competitive inhibition Ki = IC50 x Km/ (Km + [substrate]).
1808	1	Enzymatic Assay	The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate (pNPP) was measured by following the absorbance change at 405 nm. IC50 value was determined under fixed pNPP concentration of 1 mM. All the assays were carried out in duplicate or triplicate and the average results are presented. Ki is derived from IC50 based on competitive inhibition Ki = IC50 x Km/ (Km + [substrate]).
1810	1	Phosphatase Inhibition Assay	The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 410 nm on a spectramax 384 plate reader. Slopes of initial reaction rates (15 minute reactions) were plotted and fit to the Michaelis-Mention equation by nonlinear regression analysis (Graphpad Prism). 
1812	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1816	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1826	1	PDE4 Activity Assay	PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was captured by the SPA beads, and quantified on a Wallac-Microbeta scintillation counter. A linear reaction progress curve (30 min) and a linear enzyme concentration response (0 to 500 pM) were observed. The IC50 value was calculated from an 11-point dose-response curve performed in duplicate using a 4-parameter least-squares nonlinear regression fit.
1827	1	PDE Activity Assay	PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and quantified on a scintillation counter. In each assay, substrate concentration was 200 nM, near the Km values for the enzymes under the conditions of the assays.
1832	1	PDE Enzyme Inhibitor Assays	PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-GMP was captured by the SPA beads, and quantified on a TopCount plate reader (Packard, Meridien, CT). Radioactivity units were converted to percent activity of an uninhibited control (100%) and plotted against inhibitor concentration, and inhibitor IC50 values were obtained using the Fit Curve Microsoft Excel extension.
1834	1	FTase Activity Assay	The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated radioactivity was quantified by scintillation counting.
1836	1	FTase Activity Assay	The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated radioactivity was quantified by scintillation counting.
1838	1	In Vitro Enzyme Assay of FPT	FPT activity was determined by measuring transfer of [3H] farnesyl from [3H]farnesyl pyrophosphate to the substrate His6-Ha-Ras-CVLS. The incorporated radioactivity was measured in a Wallac 1204 liquid scintillation counter. Percent inhibition was calculated relative to the DMSO vehicle control. 
1839	1	Enzyme Assay and Determination of the Inhibition Constants	Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis was measured by monitoring the increase in absorbance at 405 nM for 5 minutes. Ki(apparent) values were calculated from enzyme velocity curves using the software package BatchKi (BioKin Ltd, Madison, WI). These apparent inhibition constants were then converted to Ki values by assuming competitive inhibition and using the formula Ki = Ki(apparent)/(1 + S/Km).
1845	1	ADK Inhibition Assay	ADK activity was monitored by a radiochemical assay, which measures the conversion of radioactive Ado ([U-14C] adenosine or [2-3H] adenosine) to AMP in the presence of ATP and MgCl2.  The radioactivity incorporated was directly proportional to the conversion rate. The reaction was terminated by aliquoting the reaction mixture onto DE-81 anion exchange filter disks. The filter disks were then dried, washed, and counted. Bound radioactivity was determined by standard scintillation spectrometry at an efficiency of 55%.
1846	1	TF-VIIa Assay	Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1846	2	Factor Xa Assay	Human Factor Xa and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1846	3	Thrombin Assay	Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1847	1	TF-VIIa Assay	Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1859	1	TF-VIIa Assay	Recombinant human Factor VIIa and soluble tissue factor were added to a 96-well assay plate containing substrate and inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1859	2	Thrombin Assay	Human thrombin and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1859	3	Factor Xa Assay	Human Factor Xa and substrate were added to a 96-well assay plate containing inhibitor in reaction buffer. The rate of hydrolysis of the substrate was measured by monitoring the reaction at 405 nm for the release of p-nitroaniline. All compounds were assayed in duplicate at seven concentrations. Percent inhibition at each concentration was calculated from OD405nm value from the experimental and control sample. IC50 values were calculated from a four-parameter logistic regression equation.
1860	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1863	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1864	1	Scintillation Proximity Assay (SPA)	SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein immobilized on streptavidin beads, resulting in the emission of light. IC50 values were obtained from competitive binding assay.
1866	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. The data were then processed with Graphpad Prism to determine the IC50 and the apparent enzyme inhibition constant (Ki) for each inhibitor. Ki values were calculated using the Cheng-Prusoff equation with the Km for CoQD of 13.4 uM and 14.0 uM for PfDHODH and HsDHODH respectively.
1868	1	In Vitro FTase/GGTase-1  Inhibition Assay	Compounds were tested as inhibitors of FTase or GGTase-1 in vitro using purified recombinant mammalian enzymes to catalyze the reactions between [3H] FPP or [3H]GGPP, and recombinant protein substrates. Incorporation of radiolabeled isoprenoid into Ras protein substrate was quantitated by precipitation of total protein with acid and scintillation counting. The inhibitory activity of the compounds is reported as an IC50 value, the concentration of inhibitor required to reduce radiolabel incorporation by 50% compared with an uninhibited control experiment.
1869	1	Serine Protease Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored continuously for 5 min at 405 nm on a microtiter plate reader. The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km. 
1870	1	Esterase  Assay	Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorption coefficient of 18400 M-1 cm-1 was used for the 4-nitrophenolate formed by hydrolysis. Ki values were obtained from Easson-Stedman plots using a linear regression program, from at least three different assays. Standard errors were of 5-10%.
1874	1	PDE Competitive Enzyme Inhibition Assay	PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by the SPA beads, and quantified on a TopCount plate reader. 
50036026	2	ChEBML_29154	Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.
1880	1	Phosphodiesterase (PDE) Inhibition Assay	Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-GMP (and not cAMP or cGMP) to yttrium silicate beads with embedded scintillant. Hydrolysis is quantified by reading in a scintillation counter (Trilux, Wallac). The cAMP and cGMP concentrations used were far below the Km of PDE. Thus, the IC50s obtained are good approximation of Ki.
1887	1	Phosphodiesterase (PDE) Inhibition Assay	Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-GMP (and not cAMP or cGMP) to yttrium silicate beads with embedded scintillant. Hydrolysis is quantified by reading in a scintillation counter (Trilux, Wallac). The cAMP and cGMP concentrations used were far below the Km of PDE. Thus, the IC50s obtained are good approximation of Ki.
1889	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a Perkin-Elmer Trilux scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1889	2	CDK1 Enzymatic Assay	Human CDK1 kinase activity was assayed in reaction buffer containing substrate Histone H1, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a Perkin-Elmer Trilux scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1889	3	PKA Enzymatic Assay	Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a Perkin-Elmer Trilux scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1890	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a Perkin-Elmer Trilux scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1891	1	CHK1 Scintillation Proximity Assay	The compound inhibitory activity was determined by incubation with purified recombinant Chk1 and biotinylated peptide substrate in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads. Incorporated radioactivity was measured using TopCount NXT microplate scintillation counter. IC50 values were determined using XLFit within Activity Base.
1892	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1893	1	Fluorescence Exchange Curve Assay	The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half reaction, p38 alpha MAPK and SKF 86002 are preincubated for 3 min. In the second half reaction, p38alpha MAPK is preincubated with inhibitor for 60 min. A net dissociation of the fluoroprobe is observed for the first half-reaction, and a net association is observed for the second half-reaction. The raw data from both half-reactions are fit simultaneously to an equation describing simple competitive inhibition.
1894	1	Fluorescence Exchange Curve Assay	The exchange curve assays were run as two half-reactions using an SLM Aminco Bowman Series 2 model SQ-340 fluorescence detector. In the first half reaction, p38 alpha MAPK and SKF 86002 are preincubated for 3 min. In the second half reaction, p38alpha MAPK is preincubated with inhibitor for 60 min. A net dissociation of the fluoroprobe is observed for the first half-reaction, and a net association is observed for the second half-reaction. The raw data from both half-reactions are fit simultaneously to an equation describing simple competitive inhibition.
1896	1	Thermal Denaturation Assay	UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotometer. For each measurement, absorbance data at 230 nm was collected as the temperature was scanned from 25 to 80 C at a ramp rate of 0.2 C /min. The melting temperature (Tm) for each sample was calculated as the maximum deflection point of the first derivative of the melting transition. The Tm values are converted into Kd values using the equation: Tm =3.08 (log Ka) + 31.2, where Ka= 1/Kd.
1896	2	UV-Thermal Melt	UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotometer. For each measurement, absorbance data at 230 nm was collected as the temperature was scanned from 25 to 80 C at a ramp rate of 0.2 C /min. The melting temperature (Tm) for each sample was calculated as the maximum deflection point of the first derivative of the melting transition. The Tm values are converted into Kd values using the equation described in J. Med. Chem., 46, 4669.
1898	1	Enzyme Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored at 405 nm using a Thermomax kinetic plate reader (Molecular Devices).  The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-P
1900	1	Enzyme Inhibition Assay	The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic substrate was monitored at 405 nm using a Thermomax kinetic plate reader (Molecular Devices).  The initial velocities measured were used to determine the amount of inhibitor required to diminish 50% of the control velocity; this concentration was defined as the IC50 of the inhibitor. The apparent Ki values were then calculated according to the Cheng-Prusoff equation: Ki = IC50/1 + [S]/Km.
1903	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled a ntiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. Relative fluorescence units were read on a Ruby Star fluorescent reader (BMG Technologies, Inc.) using a four-parameter fit using activity base to calculate the corresponding IC50 for the test and standard compounds in each well.
1906	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled a ntiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. Relative fluorescence units were read on a Ruby Star fluorescent reader (BMG Technologies, Inc.) using a four-parameter fit using activity base to calculate the corresponding IC50 for the test and standard compounds in each well.
1910	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. The IC50 values for inhibitors were determined by a four-parameter sigmoidal curve fit.
1911	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate.HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. Relative fluorescence units were read on a Discovery plate reader (Packard). The IC50 values for inhibitors were determined by a four-parameter sigmoidal curve fit.
1912	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
1912	2	PKA/PKC Kinase Assay	The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA). IC50s were calculated using the sigmoidal curve fit with the Assay Explorer software (MDL, Los Angeles, CA).
1915	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
1915	2	PKA/PKC Kinase Assay	The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA). IC50s were calculated using the sigmoidal curve fit with the Assay Explorer software (MDL, Los Angeles, CA).
1918	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
1918	2	PKA/PKC Kinase Assay	The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA). IC50s were calculated using the sigmoidal curve fit with the Assay Explorer software (MDL, Los Angeles, CA).
1919	1	Akt Inhibition Assay	Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well format. Detection was done by homogeneous time-resolved fluorescence (HTRF) using a europium-labeled Phospho (S21)-GSK3a antibody, and streptavidin-linked XL665 fluorophore which binds to the biotin moiety on the substrate peptide.
1922	1	Akt Inhibition Assay	Purified recombinant human Akt1, Akt2, and Akt3 proteins were monitored for kinase activity in the presence or absence of Akt inhibitors in a 96-well format. Detection was done by homogeneous time-resolved fluorescence (HTRF) using a europium-labeled Phospho (S21)-GSK3a antibody, and streptavidin-linked XL665 fluorophore which binds to the biotin moiety on the substrate peptide.
1925	1	Z-LYTE Kinase Assy	The Z-LYTE assay (Invitrogen Corporation) employs a FRET-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. A site-specific protease recognizes and cleaves nonphosphorylated peptides. Phosphorylated peptides exhibit suppressed cleavage. Cleavage disrupts FRET between the donor (coumarin) and acceptor (fluorescein) fluorophores on the peptide, whereas uncleaved, phosphorylated peptides maintain FRET. The ratio of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, quantitates reaction progress.
1926	1	PKB In Vitro Enzyme Assay	The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
1926	2	PKA In Vitro Enzyme Assay	The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
1928	1	PKB In Vitro Enzyme Assay	The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
1928	2	PKA In Vitro Enzyme Assay	The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
1929	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
1931	1	PtdIns 3-Kinase In Vitro Assay	Ptdlns 3-kinase enzyme activity was assayed by its converting Ptdlns(4,5)P2 into PtdIns(3,4,5)P3 in the presence of  radioactive ATP. After reaction, lipids were recovered from organic extraction, and were spotted on TLC plates. radioactivity was quantified with the TLC linear analyzer. 
1931	2	Fluorescence Assays for Determination of Binding Affinity.	Binding was detected as a change in the intrinsic tryptophan fluorescence of the PI3K upon the addition of inhibitor. The inhibitor was incubated with the protein for at least 15 min before the fluorescence intensity was measured. Fluorescence data were acquired for 30 s and averaged for each concentration of inhibitor. The background fluorescence of a solution without inhibitor was subtracted from each measurement. Data were then fitted to a binding equation to obtain dissociation constants. 
1932	1	Kinase Inhibition Assay	Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
1933	1	Enzyme Inhibition Scintillation Proximity Assay	The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gamma-33P] ATP. After the reaction was stopped, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate. The IC50 values were calculated using a four-parameter fit of data after correction for background. 
1934	1	Chk1 Enzymatic Assay	Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
1936	1	PDE SPA Enzyme Inhibition Assay	PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by the SPA beads, and quantified on a TopCount plate reader. Data was analyzed in Graph Pad Prism software.
1940	1	PDE SPA Enzyme Inhibition Assay	PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by the SPA beads, and quantified on a TopCount plate reader. Data was analyzed in Graph Pad Prism software.
1941	1	Enzymatic Assay	Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a reaction mixture. After the reaction was terminated, the radioactivity of unreacted [3H]cGMP in the supernatant was measured by a liquid scintillation counter. The turnover rate was measured at nine concentrations of cGMP and controlled at hydrolysis of 15-40% substrate. Each measurement was repeated three times. For measurement of IC50 values, 10 concentrations of inhibitors were used at a substrate concentration that was one-tenth of the Km value and an enzyme concentration that hydrolyzed 50% of substrate.
1942	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. For the determination of the IC50 values (concentration of inhibitor required for 50% inhibition) eight different inhibitor concentrations were applied. Each data point was recorded in triplicates on a single measurement day. Data were analyzed with the program GraFit34 using a four-parameter fit.
1943	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. For the determination of the IC50 values (concentration of inhibitor required for 50% inhibition) different inhibitor concentrations were applied.
1947	1	Fluorescence Polarization (FP) Assay 	The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90. The competitive displacement was monitored by a decrease in fluorescence polarization of the probe-Hsp90 complex when the inhibitor binds. IC50 values were calculated on the difference in anisotropy from the first and second reads.
1948	1	Colorimetric Determination of ATPase Activity	The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex formed between Malachite Green, molybdate and free phosphate. The yeast HSP90 is incubated in assay buffer containing ATP with or without test compounds. The reaction is stopped by the addition of malachite green reagent. The absorbance is then determined at 620 nm.
1949	1	Fluorescence Polarization (FP) Assay 	The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90. The competitive displacement was monitored by a decrease in fluorescence polarization of the probe-Hsp90 complex when the inhibitor binds. IC50 values were calculated on the difference in anisotropy from the first and second reads.
1950	1	Fluorescence Polarization (FP) Assay 	The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90. The competitive displacement was monitored by a decrease in fluorescence polarization of the probe-Hsp90 complex when the inhibitor binds. IC50 values were calculated on the difference in anisotropy from the first and second reads.
1951	1	Enzyme Inhibition Assay	The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to allow adherence of this substrate to the bottom of the well. After a 60-min incubation, the amount of phosphorylated ATF-2 produced was assessed by an ELISA-type readout.
1952	1	Enzyme Inhibition Assay	The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to allow adherence of this substrate to the bottom of the well. After a 60-min incubation, the amount of phosphorylated ATF-2 produced was assessed by an ELISA-type readout.
1954	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. IC50 values reported are means of at least two separate experiments.
1955	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1957	1	DPP Inhibition Assay	The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and measurement of fluorescent emission at 460 nm. For each concentration of inhibitor or DMSO control, the steady state rates were used to fit a rectangular hyperbola, from which Km and Vmax values were determined by nonlinear regression analysis. The ratio of the Km/Vmax vs inhibitor concentration was plotted and the negative X-intercept, as calculated by linear regression, was the competitive Ki.
1959	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1965	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
1966	1	MAO Activity Assay	MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perkin-Elmer LS 50B spectrofluorimeter. Dixon plots were used to estimate the inhibition constant (Ki) of the inhibitors. The data are the mean values of three or more experiments performed in duplicate.
1969	1	Enzyme Inhibition Assay	A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate from phosphoenol pyruvate. Lactate dehydrogenase reduces pyruvate to lactate with the oxidation of NADH. NADH depletion was monitored at 340 nm using a microplate reader. The decrease of absorbance was monitored as a function of time and the resulting data was fitted to a competitive inhibition kinetic model to determine the Ki.
1973	1	Enoyl-CoA Reductase Inhibition Assay	The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. The absorbance OD readings were taken on a Molecular Device SPECTRAmax PLUS 384 microreader. The IC50 values were determined using at least eight concentrations, with each concentration assayed in triplicate under saturating substrate conditions. The values were calculated from plots of enzyme activity versus the log of the inhibitor concentration using the GraFit IC50 four-parameter fit software.
1977	1	In Vitro Kinase Assay	Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic protein (MBP). The assay was performed in a 96-well microtiter plate. The incorporated radioactivity was measured in a Packard Topcount microplate scintillation counter. The 50% inhibitory value was calculated by fitting the data to the equation: fractional activity = 1/[I]/IC50 + 1.
1980	1	In Vitro Kinase Assay	Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic protein (MBP). The assay was performed in a 96-well microtiter plate. The incorporated radioactivity was measured in a Packard Topcount microplate scintillation counter. The 50% inhibitory value was calculated by fitting the data to the equation: fractional activity = 1/[I]/IC50 + 1.
1981	1	BACE-1 Inhibition  Assay	Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission wavelengths of 355 and 530 nm, respectively. Initial reaction rates were measured, and IC50s were calculated from replicate curves using GraphPad Prizm software.
1982	1	BACE-1 Inhibition  Assay	Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission wavelengths of 355 and 530 nm, respectively. Initial reaction rates were measured, and IC50s were calculated from replicate curves using GraphPad Prizm software.
1983	1	BACE Enzyme Inhibition Assay	Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved product was detected using biotinylated Sw192 or biotinyated Wt192 as specific reporter antibodies and quantitated against the appropriate MBP-C125 standard.
1984	1	Fluorecent Resonance Energy Transfer (FRET) Assay	The substrate is linked to a fluorescent dye on one end and to a quenching group on its other end. The fluorescence of the substrate is significantly reduced due to intramolecular resonance energy transfer to the quenching group. Upon substrate cleavage by the enzyme, there is a disturbance of the energy transfer resulting in the enhancement of the fluorescent signal. The enzyme activity is determined by an increase in the relative fluorescent of reaction mixture, with umbilliferone excitation/emission filter set.
1985	1	PTP1B and TCPTP Inhibition Assay	The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15 min using a plate reader. For each concentration of test compound or DMSO control, the initial rates were used to fit the rectangular hyperbola of Michaelis-Menten by nonlinear regression analysis. The ratio of the apparent Km/Vmax vs inhibitor concentration was plotted, and the Ki was calculated by linear regression to be the negative X-intercept.
1987	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1987	2	Thrombin Inhibition Assay	The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1989	1	Factor Xa Inhibition Assay	The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1989	2	Thrombin Inhibition Assay	The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromogenic substrates were assayed by continuously measuring absorbance at 405 nm. Inhibition constants were calculated from the slope of the progress curves during the linear part of the time course, typically between 1 and 5 min following addition of substrate to the assay.
1990	1	ATF-2 Phosphorylation Assay	In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamma-33P] ATP. 33P incorporation into substrate was measured with a Perkin-Elmer Micro-Beta plate counter, IC50 values were calculated from dose-response curves.
1992	1	ATF-2 Phosphorylation Assay	In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamma-33P] ATP. 33P incorporation into substrate was measured with a Perkin-Elmer Micro-Beta plate counter, IC50 values were calculated from dose-response curves.
1994	1	ATF-2 Phosphorylation Assay	In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamma-33P] ATP. 33P incorporation into substrate was measured with a Perkin-Elmer Micro-Beta plate counter, IC50 values were calculated from dose-response curves.
1994	2	Kinase Selectivity Assay	Ser/Thr-kinase selectivity assays were performed using a radioactive FlashPlate-based assay platform. Substrate incorporated radioactivity was counted using a TopCount microplate reader (Perkin-Elmer). IC50 values were determined from six compound titration curves, and corresponding Ki values were calculated using the Cheng-Prusoff equation Ki = IC50/(1 + ([ATP]/Km)).
2002	1	ATF-2 Phosphorylation Assay	In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamma-33P] ATP. 33P incorporation into substrate was measured with a Perkin-Elmer Micro-Beta plate counter, IC50 values were calculated from dose-response curves.
2004	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting protein allophycocyanin (XL-665). The donor, EuK (Lance), was coupled to an anti-phospho-ATF2 antibody that specifically binds Thr71-phosphorylated ATF2 and the XL-665 acceptor was supplied coupled to streptavidin to bind the biotinylated substrate GST-ATF2. Thus, when the biotinylated ATF2 is phosphorylated by JNK3 or p38, EuK and XL665 are brought into close proximity allowing the FRET to take place following laser excitation of EuK at 337 nm. The HTRF Discovery reader (Packard) detects emissions at 620 nm (non-specific B-counts) and at 665 nm (specific A-counts). The HTRF signal is calculated as a ratio of the A-counts to B-counts. The signal produced is proportional to the amount of JNK3 or p38 kinase activity present during the kinase reaction phase.
2005	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2006	1	In Vitro BACE1 Activity Assay	For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containing inhibitor compound. The cleavage product was analyzed by western blot using neo-epitope specific antibody against N-terminal fragment of APP with the &#194;&#8220;NFEV&#194;&#8221; mutants cleaved at the beta-site.
2007	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2008	1	Enzyme Inhibition Measurements	Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room temperature for 1 h, and enzymatic activity was measured after addition of substrate in a Spectramax Gemini fluorescence plate reader (Molecular Devices, Sunnyvale, CA). IC50 values were calculated using the Microsoft Excel extension XL-fit.
2010	1	Enzyme Inhibition Measurements	Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room temperature for 1 h, and enzymatic activity was measured after addition of substrate in a Spectramax Gemini fluorescence plate reader (Molecular Devices, Sunnyvale, CA). IC50 values were calculated using the Microsoft Excel extension XL-fit.
2014	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. The data were then processed with Graphpad Prism to determine the IC50 and the apparent enzyme inhibition constant (Ki) for each inhibitor. Ki values were calculated using the Cheng-Prusoff equation with the Km for CoQD of 13 uM and 15 uM for PfDHODH and HsDHODH respectively.
2015	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 595 nm. Microsoft Excel was used to plot and analyze the data to determine kinetic parameters. Initial reaction rates were calculated by least-squares linear regression. Lineweaver-Burke plots suggested initial guesses for the kinetic parameters and the type of inhibition to be fitted. Kic values were obtained for compounds displaying competitive inhibition.
2016	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 610 nm. For the determination of the IC50 values (concentration of inhibitor required for 50% inhibition) eight different inhibitor concentrations were applied. Each data point was recorded in triplicates on a single measurement day. 
2017	1	Determination of Inhibitor Potency and Selectivity	Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 405 nM following preincubation (background, time zero measurement) and following the 30 min incubation with substrate using a microplate reader. Background values were subtracted from the final absorbance values. Percentage inhibition was calculated and plotted against compound concentration to generate IC50 values. The enzymatic Ki was calculated from the known Km of each substrate, using the equation: Ki = IC50 / ((1 + ([S]/Km)).
2023	1	Determination of Inhibition Constants	The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in the assay. Three minutes after the addition of the enzyme to the reaction solution containing substrate and test compound, acetic acid (50%) was added to quench the reaction, and the optical density was measured at 405 nm. The Ki-values were calculated according to Dixon using a linear regression program. The Ki-values reported are means from at least three determinations.
2025	1	FTase Scintillation Proximity Assay	Compounds were tested as inhibitors of FTase in vitro using purified human enzyme to catalyze the reaction between [3H] FPP and a biotinylated peptide substrate. Reaction was terminated by addition of streptavidin scintillation proximity assay beads (Amersham), and the mixtures were subsequently analyzed by scintillation counting.
2025	2	GGTase-1 Scintillation Proximity Assay	Compounds were tested as inhibitors of GGTase-1 in vitro using purified human enzyme to catalyze the reaction between [3H] GGPP and a biotinylated peptide substrate. Reaction was terminated by addition of streptavidin scintillation proximity assay beads (Amersham), and the mixtures were subsequently analyzed by scintillation counting
2026	1	HIV-1 RT Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
2028	1	PKB In Vitro Enzyme Assay	The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
2029	1	PKB In Vitro Enzyme Assay	The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
2029	2	PKA In Vitro Enzyme Assay	The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P]ATP in 96-well plates. IC50 is the concentration of inhibitor that inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to substrate peptide. IC50 values were determined from an eight-point concentration range run in duplicate and calculated in GraphPad Prism 4.00.
2030	1	Enzyme Inhibition Assay	The in vitro inhibitory activity of the candidate molecules was determined by recording the decrease of the NADPH absorbance upon enzymatic reduction of xylitol. The absorbance at 340 nm was monitored with a BMG plate reader. The program GraFit (Version 4.0) was used for fitting the IC50 values.
2032	1	Enzyme Inhibition Assay	The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation of NADPH or the reduction of NAD+ catalyzed by ALR2. The determination of the IC50 values was performed by using linear regression analysis of the log dose response curve.
2033	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
2034	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
2035	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
2036	1	DPP Inhibition Assay	Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay. The reaction was monitored by excitation at 400 nm and measurement of fluorescent emission at 505 nm for 5-10 minutes or an end-point was measured after 10 minutes. IC50 values were calculated from the enzyme progress curves using standard mathematical models.
2037	1	Enzyme Inhibition Assay	Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated by the addition of BACE-1 to reaction buffer containing test compound and substrate, and brief mixing. The increase in fluorescence over time was monitored on a Gemini XS fluorometric plate reader using excitation at 328 nm and emission at 405 nm. Initial rates were fit to an equation, and Ki values were determined using Graphpad Prism software.
2038	1	Enoyl-CoA Reductase Inhibition Assay	The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. The absorbance OD readings were taken on a microreader. The IC50 values were determined using at least eight concentrations, with each concentration assayed in triplicate under saturating substrate conditions. The values were calculated from plots of enzyme activity versus the log of the inhibitor concentration using the GraFit IC50 four-parameter fit software.
2038	2	Measurement of Inhibition Constants	Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition data were analyzed using the standard equation for uncompetitive inhibition. For compounds with Ki values in the low nanomolar range, initial velocities were determined at a fixed substrate concentration and the data were fit to the equation: vi/v0 = (Km + S)/(Km + S[1 + I/ Ki]). Where vi and v0 are the initial velocities in the presence and absence of inhibitor. The substrate concentration was fixed at 15 uM, and the inhibitor concentration was varied from 3.5 to 1200 nM. Data fitting was performed using Grafit 4.0 (Erithacus Software Ltd.).
2039	1	Enzyme Inhibition Assay	To determine the inhibitory potency of the drugs, the initial velocity of the DHODR-catalyzed reaction at saturating concentrations of DHO (1 mM) and QD (0.1 mM) was measured, with varying drug concentrations. The equation vi /vo= 1/[1 + [I]/IC50], where vi is the initial velocity in the presence of the inhibitor at concentration [I] and vo is the initial velocity in the absence of the inhibitor, was fitted to the initial velocities in order to find the drug concentration causing 50% inhibition of the enzyme activity.
2040	1	Enzyme Inhibition Assay	Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking the inhibitor. Substrate was added, and initial rate of substrate hydrolysis were determined using a UV/MAX Kinetic Microplate Reader. Ki values were determined with BatchKi or true Ki values with DYNAFIT.
2044	1	Enzyme Inhibition  Assay	The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without inhibitor. Bound radiolabeled phosphate was quantitated using a TopCount 96-well liquid scintillation counter (Packard Instrument). The concentration of the p38-GST fell within the linear range of the enzyme assay. The p38 enzyme preparation assayed under assay conditions retained full activity through the 21 h incubation time.
2045	1	Enzyme Inhibition Assay	The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to allow adherence of this substrate to the bottom of the well. After a 60-min incubation, the amount of phosphorylated ATF-2 produced was assessed by an ELISA-type readout.
2049	1	In Vitro BACE Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2050	1	Enzyme Inhibition Assay	The production of NADPH from NADP+ and benzyl alcohol and xylitol was monitored by an increase in NADPH fluorescence (ex: 340 nm; em: 460 nm) using an SLM-Aminco 4800C fluorometer. For each inhibitor, at least three different inhibitor concentrations that bracketed Ki from 0.5- to 4-fold were used to determine Ki. For any one inhibitor concentration, the initial velocities were measured in duplicated or triplicate for at least five different substrate concentrations bracketing the apparent Km. Ki was determined by initial velocities to a competitive form of Michaelis-Menton equation. 
2052	1	In Vitro Aldose Reductase Inhibition Assay	The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance of NADPH. Inhibition by test compound was measured as the percentage decrease in the rate of NADPH oxidation as compared to a sample without test compound. The determination of the IC50 values was performed by using linear regression analysis of the log dose response curve.
2053	1	Enzyme Inhibition Assay	The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance of NADPH. Percent inhibition is calculated on the basis of the enzyme activity in the presence or absence of compound. The IC50 is calculated using SAS release 6.10 and a four-parameter logistic regression of data.
2057	1	Inhibitory Activity Measurement of Bovine Cathepsin B.	Inhibitory activities (IC50, concentration of 50% inhibition) of compounds for bovine CB in vitro were determined by monitoring the cleavage of fluorogenic substrate Z-Phe-Arg-NMec. Fluorescence of the liberated aminomethylcoumarin was measured in a fluorimeter. Furthermore, the second order rate constant k2 (M-1s-1) for inactivation of bovine CB was determined as a function of incubation time.
2059	1	Enzyme Inhibition Scintillation Proximity Assay	The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the reaction was stopped, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate. The IC50 values were calculated using a four-parameter fit of data after correction for background. 
2061	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
2061	2	PKA/PKC Kinase Assay	The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA). IC50s were calculated using the sigmoidal curve fit with the Assay Explorer software (MDL, Los Angeles, CA).
6498	1	Radioligand Binding Assay	Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a concentration of 1 nM for &#945;1, &#945;2, &#945;3 subunits and 0.5 nM for &#945;5 subunits and the test compound in the range of 10-10&#8722;3x10&#8722;6 M. Nonspecific binding was defined by 10&#8722;5 M diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4 C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After drying, filter-retained radioactivity was detected by liquid scintillation counting.
2065	1	Chk1 Ki determination	For Ki determinations a matrix of inhibitor and substrate concentrations were tested. Inhibitor concentrations were tested from four times IC50 with 0.6-fold dilutions over 7 concentrations, as well as a final reaction with no inhibitor present. Substrate concentrations ranged from 0.5Km to 8Km. An estimate of the Vmax and Km of Chk1 was obtained in the absence of inhibitor, using the Michaelis-Menten steady state equation. For each inhibitor, an initial suggested competitive or non-competitive mode was inferred from analysis of double reciprocal Lineweaver-Burk plots. Then the experimental data were fitted alternatively to a competitive and a non-competitive equation using a 3D non-linear regression. To confirm which model fitted the data best, several statistical parameters were checked. Ki values were then obtained from the relevant model.
2065	2	Kinase assays for IC50 determinations	Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P incorporation was measured using a Perkin-Elmer Trilux scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
2066	1	MMP Assay	MMP-13 was assayed its proteolytic activity using a quenched fluorogenic substrate. The substrate hydrolysis was monitored by recording the increase in fluorescence. IC50 was determined using the formula: Vi/V0 = 1/(1 + [I]/ IC50), where Vi is the initial velocity of substrate cleavage in the presence of the inhibitor at concentration [I] and V0 is the initial velocity in the absence of the inhibitor.
2067	1	In Vitro Aldose Reductase Inhibition Assay	The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance of NADPH. Inhibition by test compound was measured as the percentage decrease in the rate of NADPH oxidation as compared to a sample without test compound. The determination of the IC50 values was performed by using linear regression analysis of the log dose response curve.
2070	1	Esterase  Assay	Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorption coefficient of 18400 M-1 cm-1 was used for the 4-nitrophenolate formed by hydrolysis. Ki values were obtained from Easson-Stedman plots using a linear regression program, from at least three different assays. Standard errors were of 5-10%.
2082	1	RAF Kinase Assay	The biochemical activity of compound was determined by incubation with Raf kinases and substrate MEK-1 in the presence of 1-10 uM ATP/ [gamma-32P] ATP. After incubation, the reaction was stopped and the phosphorylated MEK-1 was harvested by filtration, and filter- bound radioactivity was quantified by beta-plate counter.
2082	2	Time-resolved fluorescence energy transfer assay	Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm.
2083	1	BACE Electrochemiluminescence (ECL)-Based Assay	HEK293T cells were stably transfected with APP_NFEV. One day after plating, the cells were treated for 20-24 h with a medium containing a compound or 1% DMSO (v/v) as control. Conditioned medium was treated with biotinylated antibody 6E10 (recognizing residues 5-11) and ruthenylated antibody G2-10 (recognizing C-terminal sequence 34-40), followed by the introduction of streptavidin-coated magnetic beads. The resulting solution was incubated overnight and subjected to ECL analysis by IGEN M-384.
2084	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30 min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2085	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30 min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2086	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2087	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for 30min, followed by the addition of substrate. The solution was then incubated for an additional 30 min at room temperature. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).
2088	1	Bace-1 Enzymatic Assay	These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument capable of 530-545 nm excitation and 570-590 nm emission wavelengths (Wallac Victor2 1420, Perkin-Elmer, Turku, Finland).
2090	1	FRET-based Peptide Cleavage Assay	A homogenous, continuous fluorescence resonance energy transfer (FRET) assay was used to assess compound inhibition of enzyme based on the cleavage of its substrate. Kinetic rates were calculated and IC50 values were determined by fitting the percent inhibition, as a function of compound concentration, to the Hill equation.
2091	1	BACE Enzyme Inhibition Assay	Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved product was detected using biotinylated Sw192 or biotinyated Wt192 as specific reporter antibodies and quantitated against the appropriate MBP-C125 standard.
2092	1	Enzyme Inhibition Measurements	Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was recorded as the increase in fluorescence intensity over a 10 min time period. IC50 values were obtained by assuming competitive inhibition and fitting the dose response data to the equation (Vi/V0) =1/ (1 + [I]/IC50)). The Ki was calculated by using Ki = IC50/ (1 + [S]/Km), and a Km value determined according to Michaelis-Menten.
2093	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
2095	1	BACE Enzyme Inhibition Assay	Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved product was detected using biotinylated Sw192 or biotinyated Wt192 as specific reporter antibodies and quantitated against the appropriate MBP-C125 standard.
2096	1	Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)	 Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA. The compounds to be tested were added. Ramos cells, labeled with Calcein AM (Molecular Probes), were added to each well and allowed to adhere for 1 h at room temperature. Plates were washed, and cells were lysed. The plate was read at 485 nm excitation and 530 nm emission.
2098	1	Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)	 Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA. The compounds to be tested were added. Ramos cells, labeled with Calcein AM (Molecular Probes), were added to each well and allowed to adhere for 1 h at room temperature. Plates were washed, and cells were lysed. The plate was read at 485 nm excitation and 530 nm emission.
2102	1	Jurkat Cell Adhesion Inhibition Assay	Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1 peptides. The 96-well plates were coated with neutravidin, followed by biotinconjugated CS-1 peptides. Jurkat cells with series dilutions of tested ligands in binding buffer were added and allowed to bind for 30 min. Bound cells were recorded using a 96-well plate reader at 570 nm. IC50 values were calculated from inhibition curves resulting from the concentration-dependent inhibition
2105	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
2107	1	Akt Kinase Assay	The kinase assay uses His-Akt1 and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA).
2107	2	PKA/PKC Kinase Assay	The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate.  The biotinylated peptides were immobilized on streptavidin-coated FLASH plates. After reaction, the 33P-phosphopeptide captured on the FLASH plates was measured with a TopCount Packard Instruments gamma counter (Packard Instruments, Boston, MA). IC50s were calculated using the sigmoidal curve fit with the Assay Explorer software (MDL, Los Angeles, CA).
2109	1	PDK1-mediated AKT2 Activation Assay (cAKT2 33P-SPA)	The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incubating with PDK1 and PtdIns-3, 4-P2 in the presence of compound, 33P-ATP, and a biotinylated peptide substrate for AKT2. The peptide is captured on streptavidin-coated SPA beads for detection.
2111	1	PDK1-mediated AKT2 Activation Assay (cAKT2 33P-SPA)	The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incubating with PDK1 and PtdIns-3, 4-P2 in the presence of compound, 33P-ATP, and a biotinylated peptide substrate for AKT2. The peptide is captured on streptavidin-coated SPA beads for detection.
2111	2	PDK1 Activity Assay (33P-filter paper)	PDK1 inhibitory activity is measured directly using PDK1, a peptide substrate, 33PATP, and compound followed by capture on P81 phospho-cellulose paper and detection by phorphorimaging.
2113	1	PDK1-mediated AKT2 Activation Assay (cAKT2 33P-SPA)	The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incubating with PDK1 and PtdIns-3, 4-P2 in the presence of compound, 33P-ATP, and a biotinylated peptide substrate for AKT2. The peptide is captured on streptavidin-coated SPA beads for detection.
2114	1	PDK1 Kinase Activity Assay	In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
2115	1	PDK1 Kinase Activity Assay	In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 32P labeled ATP to the substrate.
2116	1	Enzyme Inhibition Scintillation Proximity Assay	The biochemical activity of compounds was determined by incubation with p38 enzyme, and substrates in the presence ATP/[gamma-33P] ATP. After the reaction was stopped, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate. The IC50 values were calculated using a four-parameter fit of data after correction for background. 
2117	1	Enzyme Inhibition Assay	The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determined using four substrate dilutions. Enzyme was incubated with test compounds for 10 min; the reaction was then started by the addition of the substrate. Reaction rates were determined by measuring the rate of the absorbance change at 405 nm in a ThermoMax microplate reader (Molecular Devices Corp., Sunnyvale, CA). IC50 values for inhibitors were determined from the dose response curve by fitting the data to the Hill equation. Ki,app values were calculated as the IC50/2, with the IC50 value determined at a substrate concentration equal to Km.
2123	1	Chk1 Enzymatic Assay	In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. IC50 values were determined by a least-squares fit to the equation, CPM = Vmax X(1 - ([I]/(IC50 + [I]))) + nonspecific binding. Ki,app = IC50/(1 + [ATP]/Km).
2123	2	CDK Activity Assay.	In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ [gamma-32P] ATP. 32P incorporation was measured with a scintillation counter. IC50 values were determined by a least-squares fit to the equation, CPM = Vmax X(1 - ([I]/(IC50 + [I]))) + nonspecific binding. Ki,app = IC50/(1 + [ATP]/Km).
2123	3	CDK4 Activity Assay	CDK4 and cyclin D1 were expressed in a baculovirus expression system and subsequently purified. The catalytic activity of the CDK4 protein was assayed by measuring the phosphorylation of a truncated GST-Rb protein (residues 773-928) in the presence of ATP/ [gamma-33P] ATP. 33P incorporation was measured with a scintillation counter. IC50 values were determined by a least-squares fit to the equation, CPM = Vmax X(1 - ([I]/(IC50 + [I]))) + nonspecific binding. Ki,app = IC50/(1 + [ATP]/Km).
2124	1	CDK Inhibition Assay	In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-33P] ATP. Assays were performed in 96-well polypropylene plates. 33P incorporation into substrate was measured using a scintillation counter.
2124	2	GSK-3 beta Inhibition Assay	In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-33P] ATP. Assays were performed in 96-well polypropylene plates. 33P incorporation into substrate was measured using a scintillation counter.
2125	1	Jurkat J6 Scintillation Proximity Assay	J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Standard Compound A and test compounds were dissolved in an appropriate solvent and diluted in assay buffer. Data are presented as mean pKi.
2127	1	Jurkat J6 Scintillation Proximity Assay	J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Standard Compound A and test compounds were dissolved in an appropriate solvent and diluted in assay buffer. Data are presented as mean pKi.
2128	1	Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)	The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test compounds or vehicle (DMSO, 1% final concentration). Plates were then incubated at room temperature for 45 min. After washings, adherent cells were quantified by fluorescence measurement and expressed in percentage of total cells. Adhesion inhibition was calculated for each test compound concentration run in triplicate. IC50 were evaluated from three independent titration curves and expressed as mean value.
2129	1	Ramos Cell Adhesion Assay (alpha4beta1 Mediated Adhesion/VCAM-1)	 Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA. The compounds to be tested were added. Ramos cells, labeled with Calcein AM (Molecular Probes), were added to each well and allowed to adhere for 1 h at room temperature. Plates were washed, and cells were lysed. The plate was read at 485 nm excitation and 530 nm emission.
2129	2	K562 Cell Adhesion Assay (alpha4beta7 Mediated Adhesion/MAdCAM-1)	M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were added. Stably transfected K562 cells expressing human alpha4beta7 integrin that had been labeled with carboxymethyl fluorescein diacetate succinimidyl ester (CFDA-SE) were added to each well and allowed to adhere for 1 h at room temperature. Plates were washed, and then cells were lysed. The plate was read on a 96-well fluorescent plate reader at 485 nm excitation and 530 nm emission. 
2130	1	Enzyme Inhibition Assay	The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determined using four substrate dilutions. Enzyme was incubated with test compounds for 10 min; the reaction was then started by the addition of the substrate. Reaction rates were determined by measuring the rate of the absorbance change at 405 nm in a ThermoMax microplate reader (Molecular Devices Corp., Sunnyvale, CA). IC50 values for inhibitors were determined from the dose response curve by fitting the data to the Hill equation. Ki,app values were calculated as the IC50/2, with the IC50 value determined at a substrate concentration equal to Km
2136	1	Enzyme Inhibition Assay	The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determined using four substrate dilutions. Enzyme was incubated with test compounds for 10 min; the reaction was then started by the addition of the substrate. Reaction rates were determined by measuring the rate of the absorbance change at 405 nm in a ThermoMax microplate reader (Molecular Devices Corp., Sunnyvale, CA). IC50 values for inhibitors were determined from the dose response curve by fitting the data to the Hill equation. Ki,app values were calculated as the IC50/2, with the IC50 value determined at a substrate concentration equal to Km
2137	1	Enzyme Inhibition Assay	The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determined using four substrate dilutions. Enzyme was incubated with test compounds for 10 min; the reaction was then started by the addition of the substrate. Reaction rates were determined by measuring the rate of the absorbance change at 405 nm in a ThermoMax microplate reader (Molecular Devices Corp., Sunnyvale, CA). IC50 values for inhibitors were determined from the dose response curve by fitting the data to the Hill equation. Ki,app values were calculated as the IC50/2, with the IC50 value determined at a substrate concentration equal to Km
2138	1	Scintillation Proximity Assay (SPA)	SPA beads conjugated to anti-mouse IgG were incubated overnight in buffer with anti-testosterone monoclonal antibody. The enzymatic reaction was monitored by its conversion of 4-androstene-3, 17-dione to testosterone. The amount of [14C] testosterone produced in each well was determined by scintillation counting on a Perkin Elmer TopCount instrument and collected as DPMs. The data was then analyzed and percent inhibition and/or IC50 values, based on 10 point serially diluted curves in duplicate or triplicate, were calculated using Microsoft Excel and XLFit programs.
2138	2	Inhibition Study on the Interconversion of Testosterone to Androstenedione (4-dione)	A radioactive assay was used for the enzyme kinetics in the presence of EM1404 at different concentrations for its Ki determination. Reactions were initiated by the addition of enzyme to the reaction mixture containing substrate and test compounds. After the reaction, the steroids were extracted, separated by TLC migration, and analyzed by phosphorimaging. The Km for testosterone oxidation in the absence of EM-1404, and four apparent Km values in the presence of 1, 3, 10, and 25 nM EM-1404, were determined. Ki value was further determined by a plot of Km vs. the inhibitor concentration.
2139	1	Enzymatic Assay (Inhibition of Type 1 17beta-HSD)	The enzymatic reaction was performed in the reaction buffer containing substrate, [14C]-estrone, and the test inhibitors. After the reaction, radiolabeled steroids were extracted from the reaction mixture, and solvent was evaporated to dryness. Steroids were dissolved and separated on TLC plates. Radioactivity signals were detected and quantified using a PhosphoImager (Sunny Vale, CA). The percentage of transformation of [14C]-E1 into [14C]-E2 was calculated. The IC50 values were calculated using an unweighted iterative least-squares method for four-parameter logistic curve fitting (DE50 program, CHUL Research Center, Quebec).
2139	2	Enzyme Inhibition on the Conversion of E2 to E1 by 17beta-HSD1	For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estradiol oxidation, through which the substrate conversion is monitored. The excitation wavelength was 340 nm, and the emission wavelength was 460 nm. A standard curve monitoring the increase of fluorescence (cps) caused by an increase of NADPH revealed that the formation of 1 uM NADPH corresponds to a 316,000 cps increase. The Km for E2 in the absence of EM-1745, and four apparent Km values in the presence of 0.5, 2, 4, and 7 nM EM-1745 were obtained. Ki was further determined by a plot of Km vs. the inhibitor concentration.
2140	1	Determination of Inhibition Constants	For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different concentrations of the inhibitors. The inhibitor was first mixed with the enzyme and incubated 10 min before the reaction was started by addition of the respective substrate solution. The absorbance was monitored for 150 s at 30 s intervals in a spectrophotometer (Spectra Max Molecular Devices, Sunnyvale, CA). After subtraction of the background (measured at 620 nm) from the signal (measured at 405 nm), the steady-state reaction rates were used for construction of Dixon plots and the Ki value was calculated.
2141	1	Dipeptidyl Peptidase Inhibition Assay	The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and measurement of fluorescent emission at 460 nm using 96-well plate fluorometer. The data are reported as % inhibition calculated as follows: % Inhibition = 100 (1 - (Vt/Vc)), where Vt is the rate of reaction of treated sample and Vc is the rate of reaction of control sample.
2145	1	FTase Activity Assay	The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated radioactivity was quantified by scintillation counting.
2145	2	GGTase-I Activity Assay	The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-Ras-CVLL. The incorporated radioactivity was quantified by scintillation counting.
2146	1	Competitive Fluorescent-binding Assay	AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission is reduced and resembles that of the AVPC-badan dye in solution alone. The AUC for the emission spectra of AVPC-badan alone, AVPC-badan, and for the Smac mimic bound to BIR3-XIAP are used to calculate a relative Kd for the Smac mimic. The relative Kd is then converted to an absolute Kd using the Kd value for AVPC-badan, which was determined in a titration assay.
2147	1	Fluorescence Polarization Affinity Measurements.	Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing antagonist and polarization probe in the buffer. Samples were read after 30-min incubation. Fluorescence polarization values were plotted as a function of the antagonist concentration, and the IC50 values were obtained by fitting the data to a four-parameter equation using KaleidaGraph software. Ki values for the antagonists were determined from the IC50 values.
2148	1	Enzyme Inhibition Assay	MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC.  Assays were performed in 96-well microtiter plates using recombinant N-terminal truncated human methionine aminopeptidase, with Co2+ as a cofactor. In a typical 96-well plate assay, the increase in the fluorescence emission (excitation at 360 nm, emission at 460 nm)  ) in each well was monitored continuously using a Cytofluor series 4000 multiwell plate reader and used to calculate the initial velocity of hMetAP2. Ki data was fitted to the Dixon competitive inhibition equation using Grafit (Erithacus software).
2153	1	Enzyme Inhibition Assay	MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC.  Assays were performed in 96-well microtiter plates using recombinant N-terminal truncated human methionine aminopeptidase, with Co2+ as a cofactor. In a typical 96-well plate assay, the increase in the fluorescence emission (excitation at 360 nm, emission at 460 nm)  ) in each well was monitored continuously using a Cytofluor series 4000 multiwell plate reader and used to calculate the initial velocity of hMetAP2. Ki data was fitted to the Dixon competitive inhibition equation using Grafit (Erithacus software).
2154	1	MetAP2 Enzyme Activity Assay	A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with L-amino acid oxidase and horseradish peroxidase. Assays were performed in 96-well microtiter plates. The reactions were carried out at room temperature, and absorbance at 450 nm (A450) was measured every 20 s over a period of 20 min using an automatic plate reader (Molecular Devices, CA). The rate in mOD/min, calculated for each well, was converted to nM methionine releases per minute per nM MetAP2 in the reaction.
2158	1	MetAP Enzyme Activity Assay	A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase activity by monitoring the production of free methionine with L-amino acid oxidase and horseradish peroxidase. Assays were performed in 96-well microtiter plates. The reactions were carried out at room temperature, and absorbance at 450 nm (A450) was measured every 20 s over a period of 20 min using an automatic plate reader (Molecular Devices, CA). The rate in mOD/min, calculated for each well, was converted to nM methionine releases per minute per nM MetAP in the reaction.
2159	1	MetAP2 Enzyme Activity Assay	A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with L-amino acid oxidase and horseradish peroxidase. Assays were performed in 96-well microtiter plates. The reactions were carried out at room temperature, and absorbance at 450 nm (A450) was measured every 20 s over a period of 20 min using an automatic plate reader (Molecular Devices, CA). The rate in mOD/min, calculated for each well, was converted to nM methionine releases per minute per nM MetAP2 in the reaction.
2160	1	MetAP2 Enzyme Activity Assay	A coupled enzyme chromogenic assay was developed to measure methionine aminopeptidase-2 activity by monitoring the production of free methionine with L-amino acid oxidase and horseradish peroxidase. Assays were performed in 96-well microtiter plates. The reactions were carried out at room temperature, and absorbance at 450 nm (A450) was measured every 20 s over a period of 20 min using an automatic plate reader (Molecular Devices, CA). The rate in mOD/min, calculated for each well, was converted to nM methionine releases per minute per nM MetAP2 in the reaction.
2161	1	3alpha-Androstanediol Oxidation Inhibition Assay	A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 450 nm (5-nm slit width) with excitation at 340 nm (15-nm slit width) was monitored. A standard curve was constructed by monitoring fluorescence changes with incremental additions of NADPH. For inhibition studies, IMN and FLF were added at several different concentrations to give final concentrations varying between 0.5 and 50 uM, and steroid substrate concentrations were then varied as indicated above. The type of inhibition and the inhibition constants were calculated using the Leonora program. All reactions were initiated by the addition of enzyme.
2161	2	Androsterone Reduction Inhibition Assay	Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing the rate of change of absorbance of pyridine nucleotide at 340 nm. Calculation of kcat and Km values used the Leonora program, yielding estimates of the kinetic constants. For inhibition studies, IMN and FLF were added at several different concentrations to give final concentrations varying between 0.5 and 50 uM, and steroid substrate concentrations were then varied as indicated above. The type of inhibition and the inhibition constants were calculated using the Leonora program. All reactions were initiated by the addition of enzyme.
2162	1	In Vitro Assay for Inhibition of Factor Xa	The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arginine amide) as the fluorogenic substrate. Test compound and enzyme were preincubated for 15 min prior to addition of the substrate. Incubation was for 3 h, after which a LJL Analyst (now marketed by Molecular Devices Corporation) was used to monitor the fluorescence at 485/535 nm wavelength. Analysis of the derived data using Activity Base, a curve fitting software from IDBS, gave the pIC50 and pKi values from which Ki values were derived.
2163	1	Determination of Inhibition Concentration Values (IC50)	The inhibition concentration values of GCPII were determined using the radioenzymatic assay with [3H] NAAG (radiolabeled on the terminal glutamate). The enzyme was preincubated in the presence of increasing concentrations of inhibitors in reaction buffer. The reaction was initiated by adding the substrate to the reaction mixtures. After 20 min, the reaction was terminated, and the glutamate was separated from the reaction mixture by ion-exchange chromatography and quantified by liquid scintillation. Duplicate reactions were carried out for each experimental point. The IC50 values were calculated from plots of Vi/V0 (ratio of individual reaction rates to the rate of an uninhibited reaction) versus inhibitor concentration using the GraFit program (version 5.0.4, Erithacus Software Limited).
2164	1	HIV-1 RT Enzyme Assay	The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
2165	1	HTRF Kinase Inhibition Assay	The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-allophycocyanin and a specific antiphosphotyrosine (or antiphosphothreonine) antibody coupled to Eu3+ cryptate. With their binding to the phosphorylated substrate the two fluorophors come into close proximity, allowing the fluorescence resonance energy transfer to occur. The proportion of substrate phosphorylated in the kinase reactions in the presence of compound compared with that phosphorylated in the presence of DMSO vehicle alone (HI control) was calculated, and the data was fitted using a Levenburg-Marquardt nonlinear regression algorithm. The inhibition constant (Ki) of the inhibitor was estimated from the IC50 using the Cheng-Prussof equation.
2167	1	HTRF Kinase Inhibition Assay	The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-allophycocyanin and a specific antiphosphotyrosine (or antiphosphothreonine) antibody coupled to Eu3+ cryptate. With their binding to the phosphorylated substrate the two fluorophors come into close proximity, allowing the fluorescence resonance energy transfer to occur. The proportion of substrate phosphorylated in the kinase reactions in the presence of compound compared with that phosphorylated in the presence of DMSO vehicle alone (HI control) was calculated, and the data was fitted using a Levenburg-Marquardt nonlinear regression algorithm. The inhibition constant (Ki) of the inhibitor was estimated from the IC50 using the Cheng-Prussof equation.
2169	1	HTRF Kinase Inhibition Assay	The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-allophycocyanin and a specific antiphosphotyrosine (or antiphosphothreonine) antibody coupled to Eu3+ cryptate. With their binding to the phosphorylated substrate the two fluorophors come into close proximity, allowing the fluorescence resonance energy transfer to occur. The proportion of substrate phosphorylated in the kinase reactions in the presence of compound compared with that phosphorylated in the presence of DMSO vehicle alone (HI control) was calculated, and the data was fitted using a Levenburg-Marquardt nonlinear regression algorithm. The inhibition constant (Ki) of the inhibitor was estimated from the IC50 using the Cheng-Prussof equation.
2173	1	cFMs Autophosphorylation Fluorescence Polarization End Point Assay.	The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in each plate. Assay buffer was substituted for the compound in positive and negative control wells. The fluorescence polarization was measured after 30 min of incubation. Under these conditions, the polarization values for positive and negative controls were  around 300 mP and 150 mP, respectively, and were used to define the 100 and 0% inhibition of the FMS reaction. The IC50 values reported are the averages of three independent measurements.
2174	1	cFMs Autophosphorylation Fluorescence Polarization End Point Assay.	The full-length cFMS cytoplasmic domain (FMS.538-972.6His) was incubated with compound in reaction buffer. Control reactions were run in each plate. Assay buffer was substituted for the compound in positive and negative control wells. The fluorescence polarization was measured after 30 min of incubation. Under these conditions, the polarization values for positive and negative controls were around 300 mP and 150 mP, respectively, and were used to define the 100 and 0% inhibition of the FMS reaction. The IC50 values reported are the averages of three independent measurements.
2175	1	Microplate GCPII Radioactivity-Based Assay	GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well format. After the reaction, an aliquot of the reaction mixture was transferred to a 96-well spin column containing AG1X8 ion-exchange resin; the plate was then centrifuged. NAA[3H]G bound to the resin and [3H]G eluted in the flowthrough. The flowthrough and the washes were collected, and was transferred to a solid scintillator-coated 96-well plate (Packard) and dried to completion. The radioactivity corresponding to [3H]G was determined with a scintillation counter. Assay points for each experiment were mostly the average of eight determinations.
2176	1	Microplate GCPII Radioactivity-Based Assay	GCPII activity in vitro is monitored through the hydrolysis [3H]NAAG to NAA and [3H]Glu. The radioactivity-based assay was miniaturized to a 96-well format. After the reaction, an aliquot of the reaction mixture was transferred to a 96-well spin column containing AG1X8 ion-exchange resin; the plate was then centrifuged. NAA[3H]G bound to the resin and [3H]G eluted in the flowthrough. The flowthrough and the washes were collected, and was transferred to a solid scintillator-coated 96-well plate (Packard) and dried to completion. The radioactivity corresponding to [3H]G was determined with a scintillation counter. Assay points for each experiment were mostly the average of eight determinations.
2177	1	BACE-1 Enzymatic Assay	BACE-1 activity was measured at pH 5 using the FS1 FRET substrate. Compounds were preincubated with recombinant BACE-1 for 20 min before adding substrate. Cleavage of substrate was monitored on a Polarstar fluorometer (Ex 390 nm/Em 520 nm) for 20 min, reading fluorescence at 1 min intervals to determine the rate of the reaction (Vi) at each inhibitor concentration, [I]. Ki was determined from the curve fit of an equation to the graph of [I] vs Vi.
2177	2	Cathepsin D Enzymatic Assay	Cathepsin D activity was measured at pH 4 using a FRET peptide substrate. Compounds were preincubated with recombinant human liver cathepsin D for 20 min before adding substrate. Cleavage of substrate was monitored on a Flexstation 384 (Ex 320 nm/Em 400 nm) for 20 min.
2177	3	Renin Enzymatic Assay	Renin activity was measured at pH 7.4 using a FRET peptide substrate. Compounds were added to recombinant human rennin and mixed before substrate was added. Cleavage of substrate was monitored on a Flexstation 384 (Ex 328nm/Em 388 nm) for 30 min.
2178	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. The IC50 values for inhibitors were determined by a four-parameter sigmoidal curve fit.
2182	1	Enzyme Inhibition Assay	HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) and acceptor (DABCYL) were labeled at two ends of peptide substrate to perform FRET. Fluorescence measurements were carried out on a fluorescence spectrophotometer. Excitation and emission wavelengths were set at 340 and 490 nm. Inhibitor binding dissociation constant Ki was obtained by nonlinear regression fitting to the plot of initial velocity as a function of inhibitor concentrations based on Morrison equation. The initial velocities were derived from the linear range of reaction curves.
2184	1	MetAP Inhibition Assay	The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed cleavage of the N-terminal methionine produces prolyl-p-nitroanilide, which is rapidly hydrolyzed by ProAP to release a chromogenic product. This allows the MetAP reaction to be continuously monitored at 405 nm on a UVVIS spectrophotometer. The initial rate was calculated from the early part of the reaction progress curve (<5 min). Activity assays were performed in triplicate using eight to 16 concentrations of substrate or inhibitor.
2185	1	EcMAP Enzyme Inhibition Assay	The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme and the peptide substrate MGMM. Activity can be determined based on the amount of GMM produced or the amount of MGMM consumed. The integrated area of the tripeptide or tetrapeptide peak was compared to a calibration curve generated by running HPLC chromatograms of known concentrations of the polypeptides.
2186	1	MetAP Inhibition Assay	The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed cleavage of the N-terminal methionine produces prolyl-p-nitroanilide, which is rapidly hydrolyzed by ProAP to release a chromogenic product. This allows the MetAP reaction to be continuously monitored at 405 nm on a UVVIS spectrophotometer. The initial rate was calculated from the early part of the reaction progress curve (<5 min). Activity assays were performed in triplicate using eight to 16 concentrations of substrate or inhibitor.
2187	1	MetAP Inhibition Assay	The MetAP reaction with Co2+ as a cofactor is coupled to a prolyl aminopeptidase (ProAP) using Met-Pro-p-nitroanilide as substrate. MetAP-catalyzed cleavage of the N-terminal methionine produces prolyl-p-nitroanilide, which is rapidly hydrolyzed by ProAP to release a chromogenic product. This allows the MetAP reaction to be continuously monitored at 405 nm on a UVVIS spectrophotometer. The initial rate was calculated from the early part of the reaction progress curve (<5 min). Activity assays were performed in triplicate using eight to 16 concentrations of substrate or inhibitor.
2188	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
2190	1	VLA-4/VCAM-1 binding assay	The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera were then added to the well. After the reaction, the plates were measured Eu fluorescence using a time-resolved fluorometer (DELFIA Research fluorometer, model 1234-001; Perkin-Elmer Inc.). The concentration of compound required for 50% inhibition in the assay was determined.
2191	1	VLA-4/VCAM-1 binding assay	The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera were then added to the well. After the reaction, the plates were measured Eu fluorescence using a time-resolved fluorometer (DELFIA Research fluorometer, model 1234-001; Perkin-Elmer Inc.). The concentration of compound required for 50% inhibition in the assay was determined.
2192	1	In Vitro Renin Inhibition Assay	In vitro potencies of compounds against purified human recombinant renin were determined by its cleavage of substrate angiotensinogen. The angiotensin I (ANG I) produced was measured in triplicate in the radioimmunoassay. 
2192	2	In Vitro Pepsin Inhibition Assay	In vitro potencies of compounds against purified porcine pepsin were determined by its cleavage of substrate hemoglobin. After incubation, proteins were precipitated with perchloric acid and the absorbance of the supernatant was measured at a wavelength of 280 nm.
2193	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2194	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2195	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2197	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2198	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2199	1	In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)	The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz). Human rennin cleaves the leucine-valine site of the substrate linker. Once cleaved, the emission ratio changes. The change was monitored by the ratio of 530 nm (topaz) over 475 nm (W1B) with the excitation set at 432 nm and the cutoff at 515 nm. The assay used a 384 well plate format that was read using a Gemini XS Fluorometric plate reader (Molecular Devices). Compounds were screened at a starting concentration of 10 uM and used a fourfold eleven-point dilution regiment.
2202	1	Enzyme Inhibition Assay	IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inhibitor were preincubated for 2 min, and the reaction was initiated by the addition of dihydrofolic acid. Steady state velocities were measured, and IC50 values were calculated from a linear regression plot of the percentage inhibition vs the logarithm of inhibitor concentration. 
2203	1	Determination of the Inhibition Constant KI	The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots were generated using SigmaPlot version 8.0 software and fit to the Michaelis-Menten equation  for competitive inhibition.
2203	2	Determination of IC50 Values	The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were performed with 30 uM dihydrofolic acid, while tested compounds were varied from 0.0003 to 100 uM in triplicate. Data were curve-fit using GraFit version 4.0 (Erithacus software).
2204	1	Enzyme Inhibition Assay	Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incubation of the enzyme with test compound and NADPH for 2 min, the reaction was initiated with the addition of DHF and the A340 was plotted over the course of 1.5 min. Six different concentrations of  compound were utilized in the assays to determine the IC50. 
2205	1	Enzyme Inhibition Assay	Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incubation of the enzyme with test compound and NADPH for 3 min, the reaction was initiated with the addition of DHF and the A340 was plotted over the course of  3 min. Six different concentrations of  compound were utilized in the assays to determine the IC50. 
2206	1	Enzyme Inhibition Assay	Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incubation of the enzyme with test compound and NADPH for 2 min, the reaction was initiated with the addition of DHF and the A340 was plotted over the course of 1.5 min. Six different concentrations of  compound were utilized in the assays to determine the IC50. 
2207	1	Enzyme Inhibition Assay	Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incubation of the enzyme with test compound and NADPH for 2 min, the reaction was initiated with the addition of DHF and the A340 was plotted over the course of 1.5 min. Six different concentrations of  compound were utilized in the assays to determine the IC50. 
2208	1	Homogeneous Enzyme Assay with SPA Beads	The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a continuously shaken suspension of YSi SPA beads at pH 2. Under acidic conditions, SPA beads bind tRNA aggregates, while radiolabeled amino acid substrate remains in solution. The beads were allowed to settle for at least 45 min and the plates were counted in a microplate scintillation counter TopCount (Packard).
2210	1	Determination of the Inhibition Type and Constant (Ki)	The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] plot. The Ki values for the inhibitors with respect for the amino acid substrates were determined by measuring the apparent Km for the amino acid in the presence of saturating concentrations of both ATP and tRNA, and of various fixed concentrations of the inhibitor. Curve-fitting of these data using the theoretical functions for vi/v0 for various types of inhibition was made with the software Kaleidagraph (version 4.0) and was used to identify the types of inhibition and the Ki values.
2211	1	Determination of the Inhibition Type and Constant (Ki)	The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] plot. The Ki values for the inhibitors with respect for the amino acid substrates were determined by measuring the apparent Km for the amino acid in the presence of saturating concentrations of both ATP and tRNA, and of various fixed concentrations of the inhibitor. Curve-fitting of these data using the theoretical functions for vi/v0 for various types of inhibition was made with the software Kaleidagraph (version 4.0) and was used to identify the types of inhibition and the Ki values.
2212	1	Determination of the Inhibition Type and Constant (Ki)	The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] plot. The Ki values for the inhibitors with respect for the amino acid substrates were determined by measuring the apparent Km for the amino acid in the presence of saturating concentrations of both ATP and tRNA, and of various fixed concentrations of the inhibitor. Curve-fitting of these data using the theoretical functions for vi/v0 for various types of inhibition was made with the software Kaleidagraph (version 4.0) and was used to identify the types of inhibition and the Ki values.
2213	1	Tyrosyl tRNA Synthetase Inhibition Assay	The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS with a range of inhibitor concentrations for 10 min at room temperature followed by the addition of pre-warmed mix for 5 min at 37C. The reaction was terminated by adding aliquots of the reaction mix into ice-cold TCA and counted by liquid scintillation. The data was fitted by a least squares procedure using GRAFIT.
2214	1	In Vitro Enzyme Activity Assay	Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.
2215	1	Competitive Ligand Binding Assay	Utilizing an analytical ultracentrifuge, the binding constants of various amino acids and isoleucine analogues to IleRS were estimated from their competition with radioactively labeled L-isoleucine.
2217	1	Receptor Binding and Transactivation Assay	Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (EC50, IC50) - Functional agonist/antagonist activities determined through a stably transfected mouse myoblast C2C12 cell line utilizing a luciferase reporter.
2218	1	Receptor Binding and Transactivation Assay	Receptor Binding Assay (Ki)-Binding determined through direct displacement of ligand with [3H]-DHT in the MDA-453 cell line. Transactivation Assay (EC50, IC50) - Functional agonist/antagonist activities determined through a stably transfected mouse myoblast C2C12 cell line utilizing a luciferase reporter.
2219	1	AR Transcriptional Activation Assay and MDA Whole-Cell Binding Assay 	The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Receptor binding assays for hAR were performed in a whole cell format using MDA-MB-453 cells. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2219	2	Radioligand Binding Assay	The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2221	1	Determination of IC50	Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to 90%. At least three concentrations were required for calculation. Semilogarithmic plots of the data showed a normal sigmoidal plot for most inhibitors. These plots were converted to straight lines by converting percent inhibition to probit values which were plotted versus the log of the drug concentration. The data were fit by least-squares linear regression. The 50% inhibitory concentration (IC50) is the concentration at which the probit value is 5.0. 
2225	1	Dihydrofolate Reductase (DHFR) Assay	Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.
2231	1	In Vitro Enzyme Inhibition	Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I generated during the incubation was measured by radioimmunoassay.
2233	1	In Vitro Enzyme Inhibition	Enzyme inhibition by test compounds was determined using human recombinant renin, incubating with a synthetic tetradecapeptide substrate. The Ang I generated during the incubation was measured by radioimmunoassay.
2235	1	In Vitro Enzyme Inhibition	Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 450 nm) with an F-4500 fluorescence spectrophotometer. Kinetic parameters were determined by the double-reciprocal-plot method of Lineweaver-Burk at increasing concentrations of 4-MU-beta-D-glucoside.
2236	1	IC50 Measurements	Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 365 nm, emission 445 nm) in an Aviv fluorimeter.
2237	1	HMG-CoA Reductase In Vitro Assay	Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source. The product, [14C]-mevalonic acid was lactonized and separated from excess substrate via an anion ion exchange resin column, and radioactivity was counted on a scintillation counter.
2238	1	HMG-CoA Reductase In Vitro Assay	Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source. The product, [14C]-mevalonic acid was lactonized and separated from excess substrate via an anion ion exchange resin column, and radioactivity was counted on a scintillation counter.
2240	1	GC Enzyme Assay	Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emission 610 nm) in a  fluorimeter.
2241	1	GC Enzyme Assay	Enzyme activity was determined as the production of fluorescent resorufin from the substrate. The fluorescence was measured (excitation 570 nm, emission 610 nm) in a  fluorimeter.
2243	1	Determination of IC50	Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of several minutes. The assays were performed at least four times. IC50 values and their standard deviations were calculated in the presence of varying concentrations of inhibitor near the IC50 concentration.
2244	1	In Vitro Inhibition Assay	Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of several minutes. After an incubation period of 5 min in the presence or absence of the inhibitor, the reaction was initiated with the addition of dihydrofolate. The reactions were performed a minimum of four times to determine the average rate and 50%  inhibitory concentration values. 
2245	1	AR Transcriptional Activation Assay and MDA Whole-Cell Binding Assay 	The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Receptor binding assays for hAR were performed in a whole cell format using MDA-MB-453 cells. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2246	1	AR Transcriptional Activation Assay and MDA Whole-Cell Binding Assay 	The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Receptor binding assays for hAR were performed in a whole cell format using MDA-MB-453 cells. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2247	1	AR Transcriptional Activation Assay and MDA Whole-Cell Binding Assay 	The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Receptor binding assays for hAR were performed in a whole cell format using MDA-MB-453 cells. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2249	1	AR Transcriptional Activation Assay and MDA Whole-Cell Binding Assay 	The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Receptor binding assays for hAR were performed in a whole cell format using MDA-MB-453 cells. After correcting for nonspecific binding, IC50 values were determined. The IC50 value is defined as the concentration of competing ligand required to decrease specific binding by 50%. The IC50 value was determined with the aid of the log-logit (Hill) method, which linearized the concentration response curve. Linear regression was then used to determine the IC50 value. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis.
2251	1	Competitive Ligand Binding Assay, GR-Mediated Agonist Activity Assay, and IL-6 Repression Assay	Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis. GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experiment and reported as % relative efficacy. Potencies of compounds are reported as the concentration at which they reach half their agonist (EC50). IL-6 Repression Assay- The GR-mediated repression of IL-6 production in a human fibroblast (NHDFneo) cell line is measured with a modified ELISA assay.
2251	2	GR-Mediated Agonist Activity Assay and IL-6 Repression Assay	GR-Mediated Agonist Activity Assay- GR-mediated activation by compounds is measured against maximal activation of dexamethasone in the same experiment and reported as % relative efficacy. Potencies of compounds are reported as the concentration at which they reach half their agonist (EC50). IL-6 Repression Assay- The GR-mediated repression of IL-6 production in a human fibroblast (NHDFneo) cell line is measured with a modified ELISA assay.
2251	3	GR-Mediated Antagonist Activity Assay and IL-6 Repression Assay	GR-Mediated Antagonist Activity Assay- GR-mediated antagonist activity is measured in the presence of a concentration of dexamethasone empirically determined to give half-maximal response. The antagonist activity of compounds, their activity in inhibiting dexamethasone response to basal level, is reported as % absolute efficacy. Potencies of compounds are reported as the concentration at which they reach half their antagonist (IC50) activity. IL-6 Repression Assay- The GR-mediated repression of IL-6 production in a human fibroblast (NHDFneo) cell line is measured with a modified ELISA assay.
2251	4	Competitive Ligand Binding Assay, GR-Mediated Antagonist Activity Assay, and IL-6 Repression Assay	Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of labeled ligand and Kd is the dissociation constant of the labeled ligand determined in the saturation analysis. GR-Mediated Antagonist Activity Assay- GR-mediated antagonist activity is measured in the presence of a concentration of dexamethasone empirically determined to give half-maximal response. The antagonist activity of compounds, their activity in inhibiting dexamethasone response to basal level, is reported as % absolute efficacy. Potencies of compounds are reported as the concentration at which they reach half their antagonist (IC50) activity. IL-6 Repression Assay- The GR-mediated repression of IL-6 production in a human fibroblast (NHDFneo) cell line is measured with a modified ELISA assay.
2253	1	Luciferase Reporter Assay	Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 cells plated onto 96-well luminoplates. After cells were lysed, cell extracts were prepared for luciferase assay. The luciferase activity was measured with a ML3000 luminometer. AR antagonist activities were calculated. The concentration of compounds showing 50% AR antagonist activity, the IC50 values, were obtained through nonlinear analysis using the statistical analysis system (SAS).
2255	1	Competitive Radioligand Displacement Assay	The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (1 nM ) and Kd is the dissociation constant of the [3H]MIB determined in the saturation analysis, IC50 is determined by computer fitting data for the competitive binding of each AR ligand. 
2256	1	Competitive Radioligand Displacement Assay	The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (1 nM ) and Kd is the dissociation constant of the [3H]MIB determined in the saturation analysis, IC50 is determined by computer fitting data for the competitive binding of each AR ligand. 
2257	1	Competitive Radioligand Displacement Assay and AR-Mediated Transcription Activation Assay	The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (1 nM ) and Kd is the dissociation constant of the [3H]MIB determined in the saturation analysis, IC50 is determined by computer fitting data for the competitive binding of each AR ligand. EC50 is the lowest concentration of the ligand capable of maximally stimulating AR-mediated transcription during transfection experiments.
2258	1	Fluorescence Polarization Competitive Binding Assay.	IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.
2260	1	Fluorescence Polarization Competitive Binding Assay.	IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.
2263	1	Thymidylate Synthase (TS) Assay	TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the addition of an amount of enzyme yielding a change in absorbance at 340 nm of 0.016/min in the absence of inhibitor. Ki values were obtained from the linear least-squares fit of the residual activity as a function of inhibitor concentration, using suitable equations for competitive inhibition.
2264	1	Thymidylate Synthase (TS) Assay	TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the addition of an amount of enzyme yielding a change in absorbance at 340 nm of 0.016/min in the absence of inhibitor. Ki values were obtained from the linear least-squares fit of the residual activity as a function of inhibitor concentration, using suitable equations for competitive inhibition.
2268	1	Inhibitor Screening Using Bacterial System (IC50) and Measurement of Inhibition Constant (Ki)	Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducted with 96-well microplates by monitoring the growth at an optical density of 595 nm (A595). The average A595 of control culture omitting Pyr analogs was scored as 100% growth, and the average readings for the cultures at each drug concentration were divided by this value to obtain relative growth values. The concentrations that inhibited 50% bacterial growth (IC50s) were determined from dose-response curves. Inhibition constants (Ki) of antifolates were calculated using a nonlinear least square fit of the data to the Michaelis-Menten equation, assuming the inhibitor binds competitively to the enzyme active site.
2270	1	Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki)	The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the percentages of [3H]-hypoxanthine incorporation against drug concentrations. The activity of pfDHFR-TS was determined spectrophotometrically using a UV-Vis spectrophotometer. The Ki values of the inhibitors for the wild-type and mutant enzymes were determined by fitting to the equation IC50 = Ki(1 + ([S]/Km)), where IC50 is the concentration of inhibitor that inhibits 50% of the enzyme activity under the standard assay condition and Km is the Michaelis constant for the substrate H2folate.
2271	1	Dihydrofolate Reductase (DHFR) Assay	DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzyme yielding a change in optical density at 340 nm of 0.015/min.
2273	1	Dihydrofolate Reductase (DHFR) Assay	DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzyme yielding a change in optical density at 340 nm of 0.015/min.
2273	2	Thymidylate Synthase (TS) Assay	TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the addition of an amount of enzyme yielding a change in absorbance at 340 nm of 0.016/min in the absence of inhibitor.
2275	1	Fluorescence Polarization (FP) Competition Assay	IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polarization (FP) assay. The competition binding experiments were evaluated using PrismPad, and the IC50 values were obtained by fitting the data to an equation, Sigmoidal dose-response (variable slope) or four parameter logistic equation. 
2279	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2279	2	TRalpha-Binding Assay and Thyroid Response Element (TRAFalpha1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to reach 50% of T3-induced TRalpha-activation in CHOK1 cells stably transfected with hTRalpha using alkaline phosphatase reporter assay. 
2279	3	TRbeta-Binding Assay 	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.
2279	4	TRbeta-Binding Assay and Thyroid Response Element (TRAFbeta1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to reach 50% of T3-induced TRbeta-activation in CHOK1 cells stably transfected with hTRbeta using alkaline phosphatase reporter assay. 
2280	1	TRalpha-Binding Assay and Thyroid Response Element (TRAFalpha1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to reach 50% of T3-induced TRalpha-activation in CHOK1 cells stably transfected with hTRalpha using alkaline phosphatase reporter assay. 
2280	2	TRbeta-Binding Assay and Thyroid Response Element (TRAFbeta1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to reach 50% of T3-induced TRbeta-activation in CHOK1 cells stably transfected with hTRbeta using alkaline phosphatase reporter assay. 
2281	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2281	2	TRalpha-Binding Assay and Thyroid Response Element (TRAFalpha1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to reach or inhibit (agonist or antagonist) 50% of T3-induced TRalpha-activation in CHOK1 cells stably transfected with hTRalpha using alkaline phosphatase reporter assay.
2281	3	TRbeta-Binding Assay 	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.
2281	4	TRbeta-Binding Assay and Thyroid Response Element (TRAFbeta1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to reach or inhibit (agonist or antagonist) 50% of T3-induced TRbeta-activation in CHOK1 cells stably transfected with hTRbeta using alkaline phosphatase reporter assay.
2282	1	TRalpha-Binding Assay and Thyroid Response Element (TRAFalpha1) Reporter Assay.	IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to inhibit 50% of T3-induced TRalpha-activation in CHOK1 cells stably transfected with hTRalpha using alkaline phosphatase reporter assay.
2282	2	TRbeta-Binding Assay and Thyroid Response Element (TRAFbeta1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to inhibit 50% of T3-induced TRbeta-activation in CHOK1 cells stably transfected with hTRbeta using alkaline phosphatase reporter assay.
2283	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2284	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2284	2	TRbeta-Binding Assay 	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.
2285	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2289	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2289	2	TRalpha-Binding Assay and Thyroid Response Element (TRAFalpha1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to inhibit 50% of T3-induced TRalpha-activation in CHOK1 cells stably transfected with hTRalpha using alkaline phosphatase reporter assay.
2289	3	TRbeta-Binding Assay 	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.
2289	4	TRbeta-Binding Assay and Thyroid Response Element (TRAFbeta1) Reporter Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to inhibit 50% of T3-induced TRbeta-activation in CHOK1 cells stably transfected with hTRbeta using alkaline phosphatase reporter assay.
2290	1	TRalpha-Binding Assay.	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. 
2290	2	TRbeta-Binding Assay 	IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.
2291	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
2292	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
2295	1	Enzyme Assay and Determination of the Inhibition Constants.	Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were determined for the controls (no inhibitor) and for the inhibitors. Percent enzyme activity was determined from these rates and used in the following formula to determine Ki: Ki=(1000)(inhibitor concentration)/{[(Km + S) - (S)(ACT)]/[(ACT)(Km)] -1}, where S is the substrate concentration and ACT is the % enzyme activity for inhibitor.
2296	1	Human Platelet Adhesion Assay	Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bovine serum albumin. Human platelets were isolated from blood anticoagulated with sodium citrate by gel-filtration. The gelfiltered platelet suspension was added to the protein-coated wells in the absence or presence of an inhibitor. Following incubation for 30 min, the plates were washed, and the number of adherent platelets measured using the colorimetric assay.  
2296	2	Specificity of Inhibitors on Cell Adhesion Assay	The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer containing Mg2+ and Ca2+ for 1 h. Cells in the same buffer solution without BSA were labeled with incubation of CMFDA for 30 min. After centrifugation and washing, cells were resuspended in the same buffer solution and incubating in the presence of different concentrations of inhibitors for 15 min. Cells were then  added to the wells and continuously incubated for additional 30 min. Unbound cells were washed out, and bound cells were lysed by the addition of 0.5% Triton X-100. The plates were read using a Cytofluor 2350 fluorescence plate reader (Millipore, Bedford, MA) with 485 nm (excitation) and 530 nm (emission).
2298	1	Competitive Cell Adhesion Assay	Binding affinities (IC50) of the ligands were studied in a Molt-4 T-cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1 peptides. The 96-well plates were coated with neutravidin, followed by biotinconjugated CS-1 peptides. Cells with series dilutions of tested ligands in binding buffer were added and allowed to bind for 30 min. Bound cells were recorded using a 96-well plate reader at 570 nm. IC50 values were calculated from inhibition curves resulting from the concentration-dependent inhibition.
2299	1	ELISA assay	A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening.  Those compounds that showed the largest differential inhibition of PDK1 and SGK1 were subjected to an ELISA assay in which direct inhibition of SGK1 phosphorylation was measured by using anti-phospho-SGK1 antibody. ELISA IC50s were determined by Microsoft Excel data analysis wizard model 63 with the luminescent signal from wells without compound treatment as 100%.
2300	1	In Vitro AChE Inhibition Assay	Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter plates. The reaction was initiated by adding acetylthiocholine iodide to each well containing reaction mixtures,  and was followed by monitoring the appearance of the thiolate dianion produced by reduction of DTNB at 412 nm for 120 s in a Molecular Devices Spectra Max 384 Plus plate reader. Each inhibitor was evaluated at several concentrations in the range of 10-9 to 2 x10-5 M. Percentage inhibition was calculated relative to a control sample (DMSO), and IC50 values displayed represent the mean +/- standard deviation for triplicate assays.
2300	2	In vitro BuChE Inhibition Assay	Inhibition of BuChE activity was determined by the spectroscopic method of Ellman using butyrylthiocholine iodide as substrate, in 96-well microtiter plates. The reaction was initiated by adding butyrylthiocholine iodide to each well containing reaction mixtures,  and was followed by monitoring the appearance of the thiolate dianion produced by reduction of DTNB at 412 nm for 120 s in a Molecular Devices Spectra Max 384 Plus plate reader. Each inhibitor was evaluated at several concentrations in the range of 10-9 to 2 x10-5 M. Percentage inhibition was calculated relative to a control sample (DMSO), and IC50 values displayed represent the mean +/- standard deviation for triplicate assays.
2303	1	In Vitro Enzyme Inhibition Assay	The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and scintillation counted for determination of radioactivity. The 50% inhibitory concentrations (IC50) were determined as the means +/- SD of the concentrations calculated from at least three independent dose-response curves.
2305	1	HDAC Enzyme Activity Assay	For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for additional 30 min. The released aminomethyl coumarin (AMC) was measured using a fluorescence plate reader. The 50% inhibitory concentrations (IC50) were determined as means with SD calculated from at least three independent dose response curves.
2306	1	HDAC Enzyme Activity Assay	For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for additional 30 min. The released aminomethyl coumarin (AMC) was measured using a fluorescence plate reader. The 50% inhibitory concentrations (IC50) were determined as means with SD calculated from at least three independent dose response curves.
2307	1	MAO Inhibition Assay	A continuous spectrophotometric assay that monitors the rate of oxidation of the nonselective MAO substrate kynuramine into 4-hydroxyquinoline was used. clorgyline or selegiline was preincubated with the suspension for 5 min to measure MAO-B or MAO-A activity, respectively. The formation of 4-hydroxyquinoline was followed at 314 nm using a Kontron UVIKON 941 spectrophotometer. IC50 values were determined and calculated from a hyperbolic equation. Each assay was performed in triplicate on four to six separate homogenates.
2309	1	MAO A Activity Measurement	MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring initial rates of substrate oxidation in the presence of varying concentrations of inhibitor. Apparent Km values for each inhibitor concentration (slopes of double reciprocal plots) were plotted as a function of inhibitor concentration, and the Ki values were determined.
2309	2	MAO B Activity Measurement	MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring initial rates of substrate oxidation in the presence of varying concentrations of inhibitor. Apparent Km values for each inhibitor concentration (slopes of double reciprocal plots) were plotted as a function of inhibitor concentration, and the Ki values were determined.
2310	1	GR Binding Assay and Human IL-6 Assay	The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10-6 M) of cold dexamethasone or the ligands. The IC50s were calculated assuming a single binding site sigmoidal dose-response model. The EC50s were obtained from transcriptional repression of IL-6-release using the human A549 lung epithelial cell line and freshly isolated mouse thioglycolate-elicited peritoneal exudate cells. 
2312	1	GR Binding Assay and Human IL-6 Assay	The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10-6 M) of cold dexamethasone or the ligands. The IC50s were calculated assuming a single binding site sigmoidal dose-response model. The EC50s were obtained from transcriptional repression of IL-6-release using the human A549 lung epithelial cell line and freshly isolated mouse thioglycolate-elicited peritoneal exudate cells. 
2313	1	GR Binding Assay and GRAF Assay	For compounds able to displace the 3(H)-dexamethasone from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of 3(H)-dex) was determined by a nonlinear four parameter logistic model. The EC50s are the concentrations of compounds required to inhibit 50% of dexamethasone-induced alkaline phosphatase (ALP) expression in GRAF cell line, which is produced by CHO-K1 cells stably transfected with GR and a reporter construct containing a glucocorticoid response element driving expression of ALP.
2313	2	Competitive Receptor Binding Assay	For compounds able to displace the radiolabeled ligand (competitor) from the receptor an IC50 value (the concentration required to inhibit 50% of the binding of radiolabled ligand) was determined by a nonlinear four parameter logistic model.
2314	1	Competitive Radioligand Displacement Assay	The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (1 nM ) and Kd is the dissociation constant of the [3H]MIB determined in the saturation analysis (Kd=0.19 nM for MIB). 
2315	1	IMPDH Type 1 Enzyme Assay	Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 1 (87 and 155 nM) and varying concentrations of inhibitor. The production of NADH was monitored by following changes in absorbance at 340 nm on a Hitachi U-2000 spectrophotometer. Steady-state velocities were used to determine Ki(app) values by fitting the velocities vs inhibitor concentration to a simple binding model with Dynafit. 
2315	2	IMPDH Type 2 Enzyme Assay	Inhibition assays were performed in duplicate using two different concentrations of human IMPDH type 2 (33 and 66 nM) and varying concentrations of inhibitor. The production of NADH was monitored by following changes in absorbance at 340 nm on a Hitachi U-2000 spectrophotometer. Steady-state velocities were used to determine Ki(app) values by fitting the velocities vs inhibitor concentration to a simple binding model with Dynafit. 
2316	1	IMPDH2 Enzyme Inhibition and Human T-Lymphoblast (CEM) Proliferation Inhibition Assays	Inhibition assays were performed using recombinant human IMPDH type 2 and varying concentrations of inhibitor. The production of NADH was monitored by following changes in absorbance at 340 nm. The concentrations of compound required to inhibit NADH accumulation by 50% (IC50) were calculated using a four-parameter logistic plot. The in vivo activities of compounds were also evaluated the inhibition of T-cell proliferation in CEM lymphoblast cells. The EC50/IC50 values were calculated using a four-parameter logistic plot.
2317	1	Receptor Binding Studies	Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing concentrations of compounds to obtain IC50. For the compounds behaving as agonists and displaying a high affinity binding for hGHS-R1a in radiolabeled binding experiments, the EC50 (the molar concentration of the agonist producing 50% of the maximal possible effect of that agonist) was determined using a dose-response curve. In the case of high-affinity antagonists, Kb values were determined using antagonist inhibition curves in the presence of 0.1 uM ghrelin (submaximal concentration).
2319	1	Receptor Binding Studies and GHS-R Ca2+ Flux Assay	Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing concentrations of compounds to obtain IC50. Fluorescence emissions from 96 wells were measured simultaneously at excitation and emission wavelength of 488 and 520 nm, respectively. During this time, agonist responses in the absence of ghrelin, or the antagonist effects of compounds on ghrelin-stimulated calcium flux were recorded. Sigmoidal curves were fitted and EC50/IC50 values were determined by GraphPad Prism software. Ghrelin shows an EC50 of 0.2 nM in this assay.
2319	2	DHFR Assay	DHFR activity was determined by measuring the rate of depletion of NADPH, monitored at 340 nm, with a Beckman DU-7400 spectrophotometer. 
2320	1	Receptor Binding Studies and GHS-R Ca2+ Flux Assay	Specific binding was determined by incubation of membranes from GHS-R1a transfected CHO-K cells with 125I-His9-ghrelin in the presence of increasing concentrations of compounds to obtain IC50. Fluorescence emissions from 96 wells were measured simultaneously at excitation and emission wavelength of 488 and 520 nm, respectively. During this time, agonist responses in the absence of ghrelin, or the antagonist effects of compounds on ghrelin-stimulated calcium flux were recorded. Sigmoidal curves were fitted and EC50/IC50 values were determined by GraphPad Prism software. Ghrelin shows an EC50 of 0.2 nM in this assay.
2320	2	DHFR Assay	DHFR activity was determined by measuring the rate of depletion of NADPH, monitored at 340 nm, with a Beckman DU-7400 spectrophotometer. 
2322	1	HDAC Enzyme Activity Assay	For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for additional 30 min. The released aminomethyl coumarin (AMC) was measured using a fluorescence plate reader. The 50% inhibitory concentrations (IC50) were determined as means with SD calculated from at least three independent dose response curves.
2324	1	p38 Enzyme Assay.	Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 50 uM ATP/[gamma-33P] ATP. 33P incorporation was measured using a scintillation counter. The IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from 33P labeled ATP to the substrate.
2325	1	Estrogen Receptor Binding Assay.	Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ER-beta with [3H]-estradiol. IC50 values were calculated from binding of the sample expressed as a percentage relative to E2 (50 nM, 100%). Relative binding affinity (RBA; relative to E2) was calculated from IC50 (E2)/IC50 (sample). The samples were assayed in triplicate at least five concentrations.
2326	1	Estrogen Receptor Binding Assay.	Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ER. Hydroxyapatite was used to adsorb the receptor-ligand complexes, and free ligand was washed away. The binding affinities are expressed as relative binding affinity (RBA) values with the RBA of estradiol set to 100%. The values given are the average +/- range or SD of two to three independent determinations. Estradiol binds to ERalpha with a Kd of 0.2 nM and to ERbeta with a Kd of 0.5 nM.
2326	2	Estrogen Receptor Binding and Transcription Activation Assay	Relative binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer, and purified full-length human ER. Hydroxyapatite was used to adsorb the receptor-ligand complexes, and free ligand was washed away. The binding affinities are expressed as relative binding affinity (RBA) values with the RBA of estradiol set to 100%. The values given are the average +/- range or SD of two to three independent determinations. Estradiol binds to ERalpha with a Kd of 0.2 nM and to ERbeta with a Kd of 0.5 nM. EC50/IC50 values were obtained from transcription activation by ER gene transfection in human endometrial cancer cells.
2327	1	Competition-Based Ligand Binding Assay.	Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biotinylated receptor. Receptor-bound [3H]-E2 was determined by scintillation counting (Perkin-Elmer). The IC50 values were calculated using a four-parameter logistic equation.
2331	1	In Vitro Enzyme Assay	The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and readings were taken on a Molecular Devices Spectra Max Gemini XS instrument. The excitation wavelength was 355 nm and the emission wavelength was 450 nm for peptidyl-AMC substrates. Generation of AMC was monitored over 5 min. The dissociation constants (Ki) were calculated by the method of Dixon. 
2332	1	In Vitro Enzyme Assay	The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and readings were taken on a Molecular Devices Spectra Max Gemini XS instrument. The excitation wavelength was 355 nm and the emission wavelength was 450 nm for peptidyl-AMC substrates. Generation of AMC was monitored over 5 min. The dissociation constants (Ki) were determined from the IC50 values taken from plots of Vi/Vo versus inhibitor concentration, where Vo is the velocity in the absence of the inhibitor and Vi is the velocity with the inhibitor. The IC50 values were converted to Ki by the equation Ki = IC50 - Et/2, where Et is the enzyme concentration.
2333	1	Enzyme Inhibition Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices).
2337	1	Enzyme Inhibition Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices).
2341	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2345	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2348	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2351	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2355	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2357	1	Enzyme Inhibition Assay	The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was monitored by the increase in fluorescence at an excitation wavelength of 380nm and an emission wavelength of 450 nm on a Gemini EM fluorometer. The reaction progress curve was fitted to the Morrison equation using PlateKi (BioKin) and the apparent inhibition constant was converted to the inhibition constant (Ki) for competitive inhibitors.
2363	1	Enzyme Inhibition Assay	The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluorometer. Data represent means of two experiments performed in duplicate, individual data points in each experiment were within a 2-fold range of each other.
2365	1	Enzyme Inhibition Assay	The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluorometer. Data represent means of two experiments performed in duplicate, individual data points in each experiment were within a 3-fold range of each other.
2367	1	Enzyme Inhibition Assay	Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solutions of inhibitor and substrate. Product fluorescence (excitation at 360 nM, emission at 460 nM) was monitored with a Perceptive Biosystems Cytofluor II fluorescent plate reader. Product progress curves were generated over 20-30 min following formation of AMC product. For those compounds whose progress curves were linear, apparent inhibition constants (Ki,app) were calculated according to the equation: V = VmA[Ka(1 + I/Ki,app) + A], where V is the velocity of the reaction with maximal velocity Vm, A is the concentration of substrate with Michaelis constant of Ka, and I is the concentration of inhibitor.
2369	1	Enzyme Inhibition Assay	Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solutions of inhibitor and substrate. Product fluorescence (excitation at 360 nM, emission at 460 nM) was monitored with a fluorescent plate reader. Product progress curves were generated over 20-30 min following formation of AMC product. 
2371	1	In Vitro Enzyme Inhibition Assay	Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solutions of inhibitor and substrate. Product fluorescence (excitation at 360 nM, emission at 460 nM) was monitored with a fluorescent plate reader.
2373	1	Enzyme Inhibition Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices).
2375	1	Enzyme Inhibition Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices).
2375	2	Enzyme Inhibition Assay and Whole Cell Enzyme Occupancy Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices). EC50/IC50 values were obtained from whole cell enzyme occupancy assays for human cathepsins B (in HepG2 cells), L (in HepG2 cells), and S (in Ramos cells).
2375	3	Enzyme Inhibition Assay and Bone Resorption Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices). EC50/IC50 values were obtained from functional rabbit bone resorption assay.
2377	1	Enzyme Inhibition Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices).
2385	1	In Vitro Enzyme Inhibition Assay and Bone-Resorption Assay	Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme to allow the establishment of the enzyme-inhibitor complex. The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in 96-well plate format and the plate read using a Spectramax (Molecular Devices) plate reader. The excitation wavelength was 355 nm and the emission wavelength was 460 nm for peptidyl-AMC substrates. The percent inhibition of the reaction was calculated from a control reaction containing only vehicle. IC50 curves were generated by fitting percent inhibition values to a four parameter logistic model (SOFTMAX PRO, Molecular Devices). EC50/IC50 values were obtained from bone-resorption assay. The long bones were aseptically isolated from a 10-day-old New Zealand White hare (Covance Research Products, Denver, PA) and the soft tissue removed.
2386	1	Competition-Based Ligand Binding Assay and Transactivation Assay.	Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor-bound [3H]estrone was determined by scintillation counting (Perkin-Elmer). The binding IC50 value (the concentration of compound required for 50% inhibition of [3H]estrone binding to ER was calculated using XL-fit one-site dose response. To determine the agonist activity of the compounds on receptors, the full length receptors were stably expressed under ERE promoter with luciferase as reporter in Hela cells. The transactivation EC50 (the concentration  of compound required to achieve 50% of transactivation caused by 10 nM estradiol) was calculated using XL-fit one-site dose response.
2390	1	Estrogen Receptor Binding Assay and Ishikawa Assay	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation. Estrogenic stimulation and antagonism were measured in Ishikawa human endometrial tumor cells by alkaline phosphatase quantitation. The data were fitted to a linear interpolation to derive IC50 values for the antagonist mode and a percentage efficacy was calculated that blocks the 17beta-estradiol (1nM) stimulus.
2391	1	Estrogen Receptor Binding Assay	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation.
2392	1	Estrogen Receptor Binding Assay.	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation. 
2393	1	Estrogen Receptor Binding Assay.	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation. 
2394	1	Estrogen Receptor Binding Assay.	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation. 
2395	1	Estrogen Receptor Binding Assay.	The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determined by saturation binding to ER receptors. The IC50 values for compounds were converted to Ki using Cheng-Prusoff equation. 
2396	1	LXR Binding Assay	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates.
2396	2	LXR Binding Assay and hLXR beta Reporter Assay	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates. Agonist potency and efficacy were measured in CHO cells stably transfected with full length human LXR beta and alkaline phosphatase gene driven by LXRE promoter. EC50 values were determined from dose response curves represented measurement at 12 concentrations, each concentration was measured in quadruplicates. Efficacy was measured relative to T0901317.
2397	1	LXR Binding Assay	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates.
2399	1	Enzyme Inhibition Assay	The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped by spotting an aliquot onto a silica gel plate that had been prespotted with thymine and thymidine. The plate was developed in ethyl acetate-water-formic acid (60:35:5), and the spots were visualized under UV light (254 nm) and cut out for radioactivity determination in toluene-based scintillation cocktail. IC50 values were determined from dose response curves, and were means of minimum three experiments. 
2401	1	Enzyme Inhibition Assay	The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped by spotting an aliquot onto a silica gel plate that had been prespotted with thymine and thymidine. The plate was developed in ethyl acetate-water-formic acid (60:35:5), and the spots were visualized under UV light (254 nm) and cut out for radioactivity determination in toluene-based scintillation cocktail. Kinetic constants Km and Ki were determined from the Lineweaver-Burk and Dixon plots. Data based on results from at least four independent experiments were evaluated by the nonlinear regression method (GOSA, Bio-Log).
2402	1	Papain Inhibition Assay	Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at wavelength of 405 nm. Progress curves were monitored over 10 min. Rate was determined for 7 different inhibitor concentrations in duplicate. The apparent inhibition constant, Ki (app) was determined by fitting equation to the experimental data. The true inhibition constant, Ki values were calculated by correction of Ki (app) according to the equation: Ki = Ki(app) /(1 + [S]/Km).
2410	1	Fluorescence-Resonance Energy Transfer Assay	FRET-based co-activator recruitment assay measures agonist activities in a 384-well plate format. Reaction mixture containing His-tagged hLXR, biotinylated SRC-1 peptide, Europiumlabeled anti-His antibody, and allophycocyaninlabeled streptavidin (Prozyme) was prepared. Ligands were tested in 12-point dose-response curves, and FRET was read on an AnalystGT (Molecular Devices).
2410	2	Scintillation Proximity Assay 	SPA assays were run in displacement mode using 30 nM [3H]-GW3965. Ligands were tested in 12-point dose-response curves starting at 20 uM. IC50 values were determined from dose-response and competition curves, which were generated by nonlinear regression analysis using GraphPad Prism. 
2412	1	Cell-Free Ligand Sensing Assay (LiSA)-LXRalpha-SRC1 Assay	The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding domain of the receptor. The biotinylated protein was incubated with streptavidin-AlloPhycoCyanin, biotinylated SRC-1 peptide, and streptavidin-labeled europium. The fluorescence resonance energy transfer was then counted on a Wallac Victor fluorescent plate reader in a time-resolved mode. The relative fluorescence was measured at 665 nm.
2412	2	Cell-Free Ligand Sensing Assay (LiSA)-LXRbeta-SRC1 Assay	The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding domain of the receptor. The biotinylated protein was incubated with streptavidin-AlloPhycoCyanin, biotinylated SRC-1 peptide, and streptavidin-labeled europium. The fluorescence resonance energy transfer was then counted on a Wallac Victor fluorescent plate reader in a time-resolved mode. The relative fluorescence was measured at 665 nm.
2413	1	Cell-Free Ligand Sensing Assay (LiSA)-LXRalpha-SRC1 Assay	The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding domain of the receptor. The biotinylated protein was incubated with streptavidin-AlloPhycoCyanin, biotinylated SRC-1 peptide, and streptavidin-labeled europium. The fluorescence resonance energy transfer was then counted on a Wallac Victor fluorescent plate reader in a time-resolved mode. The relative fluorescence was measured at 665 nm.
2414	1	Cell-Free Ligand Sensing Assay (LiSA)-LXRalpha-SRC1 Assay	The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding domain of the receptor. The biotinylated protein was incubated with streptavidin-AlloPhycoCyanin, biotinylated SRC-1 peptide, and streptavidin-labeled europium. The fluorescence resonance energy transfer was then counted on a Wallac Victor fluorescent plate reader in a time-resolved mode. The relative fluorescence was measured at 665 nm.
2415	1	Fluorescence Polarization Assay	Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value when free in solution. On binding to a target, the polarization of the probe will increase. Reaction mixtures of full length STAT3 alpha and the probe were placed in wells of a 96-well microtiter plate. The test peptide solution was added to each well. Fluorescence polarization was then read in a Tecan Polarian plate reader. The IC50 values were obtained from nonlinear regression analysis in the one-site competition mode. Peptides were assayed three times using three separate Stat3-probe preparations. IC50 values are reported as the mean of three IC50 values +/- the standard deviation.
2417	1	Fluorescence-Polarization-Based Binding Assay	Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value when free in solution. On binding to a target, the polarization of the probe will increase.
2418	1	Electrophoretic Mobility Shift Assay (EMSA)	His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P-labeled high affinity c-fos sis inducible element (hSIE) either alone or in the presence of inhibitor. After 20 min of incubation, samples were electrophoresed on polyacrylamide gels. The gels were dried, exposed to a phosphorimager screen and scanned. IC50 values were derived from plots of spot intensity versus phosphopeptide concentration. The affinity of peptides to the SH2 domain is measured by the intensity of the radioactivity of the Stat3-DNA complex band in the electrophoresis gel.
2419	1	Electrophoretic Mobility Shift Assay (EMSA)	STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P-labeled high affinity c-fos sis inducible element (hSIE) either alone or in the presence of inhibitor. After incubation, samples were electrophoresed on polyacrylamide gels. The gels were dried, exposed to a phosphorimager screen and scanned. IC50 values were derived from plots of spot intensity versus phosphopeptide concentration. The affinity of peptides to the SH2 domain is measured by the intensity of the radioactivity of the Stat-DNA complex band in the electrophoresis gel.
2420	1	Electrophoretic Mobility Shift Assay (EMSA)	STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P-labeled high affinity c-fos sis inducible element (hSIE) either alone or in the presence of inhibitor. After incubation, samples were electrophoresed on polyacrylamide gels. The gels were dried, exposed to a phosphorimager screen and scanned. IC50 values were derived from plots of spot intensity versus phosphopeptide concentration. The affinity of peptides to the SH2 domain is measured by the intensity of the radioactivity of the Stat-DNA complex band in the electrophoresis gel.
2421	1	Electrophoretic Mobility Shift Assay (EMSA)	STAT proteins were expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P-labeled high affinity c-fos sis inducible element (hSIE) either alone or in the presence of inhibitor. After incubation, samples were electrophoresed on polyacrylamide gels. The gels were dried, exposed to a phosphorimager screen and scanned. IC50 values were derived from plots of spot intensity versus phosphopeptide concentration. The affinity of peptides to the SH2 domain is measured by the intensity of the radioactivity of the Stat-DNA complex band in the electrophoresis gel.
2422	1	Competition Binding Assay and Inhibition of Ca2+ Uptake Assay	Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific binding was determined in the presence of 100 nM nonradioactive RTX. After the binding reaction, membrane-bound RTX was separated from the free by centrifugation, and the radioactivity was determined by scintillation counting. Equilibrium binding parameters (Ki, Bmax, and cooperativity) were determined by fitting the Hill equation to the measured values with the aid of the program Origin 6.0. EC/IC50 is the functional potencies of TRPV1 antagonists against 50 nM capsaicin at the CHO/rVR1 cells, as determined in a Ca2+ uptake assay.
2423	1	Competition Binding Assay and Inhibition of Ca2+ Uptake Assay	Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific binding was determined in the presence of 100 nM nonradioactive RTX. After the binding reaction, membrane-bound RTX was separated from the free by centrifugation, and the radioactivity was determined by scintillation counting. Equilibrium binding parameters (Ki, Bmax, and cooperativity) were determined by fitting the Hill equation to the measured values with the aid of the program Origin 6.0. EC/IC50 is the functional potencies of TRPV1 antagonists against 50 nM capsaicin at the CHO/rVR1 cells, as determined in a Ca2+ uptake assay. 
2424	1	Ca2+ Influx Functional Assay for the Determination of in Vitro Activity.	The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0.05 uM) evoked increase in intracellular Ca2+ levels using cells stably expressing recombinant human TRPV1. All compounds were tested over an 11-point half-log concentration range. The fluorescent Ca2+ chelating dye fluo-4 was used as an indicator of the relative levels of Ca2+ in a 96-well format using a fluorescence imaging plate reader. Fluorescence readings were made at 1-5 s intervals over the 240 s course of the experimental run. The peak increase in relative fluorescence units was calculated and expressed as a percentage of the 0.05 uM capsaicin (control) response. Curve fits of the data were solved using a four-parameter logistic Hill equation in GraphPad Prism, and IC50 values were calculated.
2426	1	Ca2+ Influx Functional Assay for the Determination of in Vitro Activity.	The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0.05 uM) evoked increase in intracellular Ca2+ levels using cells stably expressing recombinant human TRPV1. All compounds were tested over an 11-point half-log concentration range. The fluorescent Ca2+ chelating dye fluo-4 was used as an indicator of the relative levels of Ca2+ in a 96-well format using a fluorescence imaging plate reader. Fluorescence readings were made at 1-5 s intervals over the 240 s course of the experimental run. The peak increase in relative fluorescence units was calculated and expressed as a percentage of the 0.05 uM capsaicin (control) response. Curve fits of the data were solved using a four-parameter logistic Hill equation in GraphPad Prism, and IC50 values were calculated.
2427	1	Ca2+ Influx Functional Assay for the Determination of in Vitro Activity.	The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0.05 uM) evoked increase in intracellular Ca2+ levels using cells stably expressing recombinant human TRPV1. All compounds were tested over an 11-point half-log concentration range. The fluorescent Ca2+ chelating dye fluo-4 was used as an indicator of the relative levels of Ca2+ in a 96-well format using a fluorescence imaging plate reader. Fluorescence readings were made at 1-5 s intervals over the 240 s course of the experimental run. The peak increase in relative fluorescence units was calculated and expressed as a percentage of the 0.05 uM capsaicin (control) response. Curve fits of the data were solved using a four-parameter logistic Hill equation in GraphPad Prism, and IC50 values were calculated.
2428	1	Ca2+ Influx Functional Assay for the Determination of in Vitro Activity.	The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0.05 uM) evoked increase in intracellular Ca2+ levels using cells stably expressing recombinant human TRPV1. All compounds were tested over an 11-point half-log concentration range. The fluorescent Ca2+ chelating dye fluo-4 was used as an indicator of the relative levels of Ca2+ in a 96-well format using a fluorescence imaging plate reader. Fluorescence readings were made at 1-5 s intervals over the 240 s course of the experimental run. The peak increase in relative fluorescence units was calculated and expressed as a percentage of the 0.05 uM capsaicin (control) response. Curve fits of the data were solved using a four-parameter logistic Hill equation in GraphPad Prism, and IC50 values were calculated.
2429	1	Radioligand Binding Assay and Agonist Ca2+ Influx Functional Assay	The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminated, bound tritium radioactivity (dpm) was counted in a scintillation counter. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]A-778317 (2 nM ) and Kd is the dissociation constant of the [3H]A-778317 determined in the saturation analysis (Kd=6.2 nM for A-778317).  EC/IC50 is the functional potencies of TRPV1 agonist at the hTRPV1 receptor, as determined in a Ca2+ influx assay.
2429	2	Radioligand Binding Assay and Antagonist Ca2+ Influx Functional Assay	The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminated, bound tritium radioactivity (dpm) was counted in a scintillation counter. The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]A-778317 (2 nM ) and Kd is the dissociation constant of the [3H]A-778317 determined in the saturation analysis (Kd=6.2 nM for A-778317).  EC/IC50 is the functional potencies of TRPV1 antagonists against 50 nM CAP at the hTRPV1 receptor, as determined in a Ca2+ influx assay.
2430	1	FLIPR (Fluorescence Imaging Plate Reader)-Based Ca2+ Assay	One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h before the assay, and the cells were loaded with the Ca2+ reporter dye Fluo3-AM for 2 h at room temperature. After this, the cells were washed, and continuously being incubated for 30 min with medium containing test compounds at a range of different concentrations. The plates were then placed into a FLIPR to monitor fluorescence (excitation @ 488 nm and emission @540 nm) before and after the addition of capsaicin, antagonist potency was determined versus an EC80 concentration of capsaicin that was determined empirically on the day of the experiment.
2431	1	FLIPR (Fluorescence Imaging Plate Reader)-Based Ca2+ Assay	One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h before the assay, and the cells were loaded with the Ca2+ reporter dye Fluo3-AM for 2 h at room temperature. After this, the cells were washed, and continuously being incubated for 30 min with medium containing test compounds at a range of different concentrations. The plates were then placed into a FLIPR to monitor fluorescence (excitation @ 488 nm and emission @540 nm) before and after the addition of capsaicin, antagonist potency was determined versus an EC80 concentration of capsaicin that was determined empirically on the day of the experiment.
2432	1	Capsaicin Antagonist Assay	TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 expressing CHO cells, which were seeded in 96-well plates at a density of 20,000 cells/well two days prior to the assay. Then 45Ca2+ and capsaicin (final concentration, 0.5 uM) were added, and left for additional two min prior to compound washout. Radioactivity in the 96-well plates was measured using a MicroBeta Jet (Perkin-Elmer, Inc.). IC50 values were calculated by generating antagonist inhibition curves using Xlfit version 2.0.6 (ID Business Solutions, Ltd). The reported results were the average of at least two independent experiments with three replicates at each concentration (+/- SEM).
2434	1	Capsaicin Antagonist Assay	TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 expressing CHO cells, which were seeded in 96-well plates at a density of 20,000 cells/well two days prior to the assay. Then 45Ca2+ and capsaicin (final concentration, 0.5 uM) were added, and left for additional two min prior to compound washout. Radioactivity in the 96-well plates was measured using a MicroBeta Jet (Perkin-Elmer, Inc.). IC50 values were calculated by generating antagonist inhibition curves using Xlfit version 2.0.6 (ID Business Solutions, Ltd). The reported results were the average of at least two independent experiments with three replicates at each concentration (+/- SEM).
2434	2	Proton Antagonist Assay	TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 expressing CHO cells, which were seeded in 96-well plates at a density of 20,000 cells/well two days prior to the assay. Then 45Ca2+ in HEPES-MES buffer (pH=5) were added, and left for additional two min prior to compound washout. Radioactivity in the 96-well plates was measured using a MicroBeta Jet (Perkin-Elmer, Inc.). IC50 values were calculated by generating antagonist inhibition curves using Xlfit version 2.0.6 (ID Business Solutions, Ltd). The reported results were the average of at least two independent experiments with three replicates at each concentration (+/- SEM).
2437	1	Capsaicin Antagonist Assay	TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 expressing CHO cells, which were seeded in 96-well plates at a density of 20,000 cells/well two days prior to the assay. Then 45Ca2+ and capsaicin (final concentration, 0.5 uM) were added, and left for additional two min prior to compound washout. Radioactivity in the 96-well plates was measured using a MicroBeta Jet (Perkin-Elmer, Inc.). IC50 values were calculated by generating antagonist inhibition curves using Xlfit version 2.0.6 (ID Business Solutions, Ltd). The reported results were the average of at least two independent experiments with three replicates at each concentration (+/- SEM).
2439	1	ER-alpha Radioligand Binding Assay and ERE-Luciferase Reporter Assay.	Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPAbeads. After incubation at room temperature for 2-4 h, the reaction was terminated by centrifugation. The radioactivity was counted in a Packard Topcount scintillation counter. Nonspecific binding was defined as the remaining radioactivity in the presence of 10 uM nonradioactive 17beta-estradiol. Assays were performed in triplicate. HELNalpha, a human cervix adenocarcinoma cell line derived from HeLa cells stably transfected with the reporter gene and the expression plasmid ERalpha, were used to quantify the antiestrogenic and estrogenic effects of compounds on ERE
2441	1	ER-alpha Radioligand Binding Assay and ERE-Luciferase Reporter Assay.	Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPAbeads. After incubation at room temperature for 2-4 h, the reaction was terminated by centrifugation. The radioactivity was counted in a Packard Topcount scintillation counter. Nonspecific binding was defined as the remaining radioactivity in the presence of 10 uM nonradioactive 17beta-estradiol. Assays were performed in triplicate. HELNalpha, a human cervix adenocarcinoma cell line derived from HeLa cells stably transfected with the reporter gene and the expression plasmid ERalpha, were used to quantify the antiestrogenic and estrogenic effects of compounds on ERE.
2441	2	ER-beta Radioligand Binding Assay and ERE-Luciferase Reporter Assay.	Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPAbeads. After incubation at room temperature for 2-4 h, the reaction was terminated by centrifugation. The radioactivity was counted in a Packard Topcount scintillation counter. Nonspecific binding was defined as the remaining radioactivity in the presence of 10 uM nonradioactive 17beta-estradiol. Assays were performed in triplicate. HELNbeta, a human cervix adenocarcinoma cell line derived from HeLa cells stably transfected with the reporter gene and the expression plasmid ERbeta, were used to quantify the antiestrogenic and estrogenic effects of compounds on ERE.
2443	1	ER-alpha Radioligand Binding Assay and ERE-Luciferase Reporter Assay.	Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPAbeads. After incubation at room temperature for 2-4 h, the reaction was terminated by centrifugation. The radioactivity was counted in a Packard Topcount scintillation counter. Nonspecific binding was defined as the remaining radioactivity in the presence of 10 uM nonradioactive 17beta-estradiol. Assays were performed in triplicate. HELNalpha, a human cervix adenocarcinoma cell line derived from HeLa cells stably transfected with the reporter gene and the expression plasmid ERalpha, were used to quantify the antiestrogenic and estrogenic effects of compounds on ERE.
2443	2	ER-beta Radioligand Binding Assay and ERE-Luciferase Reporter Assay.	Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPAbeads. After incubation at room temperature for 2-4 h, the reaction was terminated by centrifugation. The radioactivity was counted in a Packard Topcount scintillation counter. Nonspecific binding was defined as the remaining radioactivity in the presence of 10 uM nonradioactive 17beta-estradiol. Assays were performed in triplicate. HELNbeta, a human cervix adenocarcinoma cell line derived from HeLa cells stably transfected with the reporter gene and the expression plasmid ERbeta, were used to quantify the antiestrogenic and estrogenic effects of compounds on ERE.
278	1	WIZ Assay and ZBTB7A EC50 Assays	The HiBiT degradation assay for WIZ and ZBTB7A in HUDEP-2 cells was performed as described below. HUDEP-2 cells engineered to express a HiBiT tag in either the WIZ (Widely interspaced zinc finger) or ZBTB7A (Zinc Finger And BTB Domain Containing 7A) proteins were maintained in low attachment flasks in StemSpan SFEM II media supplemented with Penicillin-Streptomycin (50 U/mL), rhSCF (50 ng/mL), rhEPO (3 IU/mL), dexamethasone (0.4 μg/mL) and doxycycline (1 μg/mL). Prior to start of the assay, cell count and viability were measured by trypan blue exclusion using the Vi-cell XR cell viability analyzer. For the HUDEP-2 WIZ HiBiT assay, cells were transferred to a 50 mL conical and centrifuged at 500 g for five minutes. Cells were resuspended in fresh StemSpan SFEM II media supplemented with Penicillin-Streptomycin (50 U/mL), rhSCF (50 ng/mL), rhEPO (3 IU/mL), dexamethasone (0.4 μg/mL) and doxycycline (1 μg/mL) at a density of 1.0×106 cells/ml. Forty microliters of cell suspension was dispensed into 384-well Low Flange White Flat Bottom Polystyrene TC-treated Microplates containing pre-dispensed compounds, using a VIAFLO 384 liquid hander, and placed in a 37° C. incubator with 5% CO2. Each compound was dispensed in duplicate and had a final DMSO concentration of 0.1%. After 24 hours of treatment, 40 μL Nano-Glo HiBiT Lytic Detection System reagent was dispensed into each well using a VIAFLO 384 liquid hander. Plates were incubated for 25 minutes at room temperature and the luminescence was read as relative luminescent units using the EnVision plate reader. EC50 and Y-min values were calculated using curves calculated from dotmatics software after the normalization to the DMSO control of 10 different concentrations: 10, 3.33, 1.11, 0.37, 0.12, 0.04 0.0137, 0.0046, 0.0015 and 0.0005 μM respectively.
2447	1	Thymidylate Synthase (TS) Assay	TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the addition of an amount of enzyme yielding a change in absorbance at 340 nm of 0.016/min in the absence of inhibitor.
2451	1	HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay	Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source. The product, [14C]-mevalonic acid was lactonized and separated from excess substrate via an anion ion exchange resin column, and radioactivity was counted on a scintillation counter. The IC50 values were calculated with GraphPad software (Prism). The cellular assay EC50/IC50 values were obtained from inhibition of cholesterol synthesis in rat hepatocyte.
2452	1	Protease Inhibition Assay	The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spectrophotometer equipped with a 7-cell sample handling system.
2453	1	In Vitro FlashPlate Assay	DGAT-1 activity was characterized by catalyzing the transfer of the radiolabeled decanoyl group onto the syn-3 position of didecanoyl glycerol. The resultant radiolabeled tridecanoyl glycerol (tricaprin) preferentially binds to the hydrophobic coating on the phospholipid FlashPlate, and radioactivity was measured in the TopCount Plate Reader. Various concentrations (0.0001 uM to 10 uM) of test compounds were added to individual wells prior to the addition of membranes. The potencies of DGAT-1 inhibition for the compounds were determined by calculating the IC50 values defined as the inhibitor concentration from the sigmoidal dose response curve at which the enzyme activity was inhibited 50%.
2454	1	Hsp90 Fluorescence Polarization Binding Assay	Compounds were assayed over a threefold dilution series in a 96-well plate format to determine IC50 values. The reaction was allowed to proceed with gentle rocking for 3 h at room temperature. Fluorescence polarization was measured on a Wallac Envision with a 480 nM excitation filter and 535 nM polarized emission filters.  
2455	1	Her-2 Degradation Assay	EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Samples were analyzed using a FACSCalibur flow cytometer (Becton Dickinson, San Jose, CA) equipped with an argon-ion laser that emits 488 nm light for excitation of the phycoerythrin fluorochrome. A fluorescence histogram was generated, and the mean fluorescence intensity (MFI) of each sample was determined using Cellquest software.
2456	1	Her-2 Degradation Assay	EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Samples were analyzed using a FACSCalibur flow cytometer (Becton Dickinson, San Jose, CA) equipped with an argon-ion laser that emits 488 nm light for excitation of the phycoerythrin fluorochrome. A fluorescence histogram was generated, and the mean fluorescence intensity (MFI) of each sample was determined using Cellquest software.
2458	1	Her-2 Degradation Assay	EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Samples were analyzed using a FACSCalibur flow cytometer (Becton Dickinson, San Jose, CA) equipped with an argon-ion laser that emits 488 nm light for excitation of the phycoerythrin fluorochrome. A fluorescence histogram was generated, and the mean fluorescence intensity (MFI) of each sample was determined using Cellquest software.
2460	1	CDK Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at 25 &#176;C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Top Count (Packard). IC50 values were calculated from dose-response curves.
2461	1	CDK Inhibition Assay	In vitro CDK assay using purified enzyme, was incubated at 25 &#176;C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Top Count (Packard). IC50 values were calculated from dose-response curves.
2463	1	SGLT Binding Assay	Inhibitors were assayed for the ability to inhibit [14C]AMG uptake in a protein-free buffer over a 2 h incubation period. The response curve was fitted to an empirical four-parameter model to determine the inhibitor concentration at half maximal response, reported as EC50. Protein-free buffer was used to simulate the low-protein conditions of the glomerular filtrate, which bathes the SGLT targets on the lumenal surface of the proximal tubule in the kidney.
2464	1	Fluorescence Polarization (FP) Assay and Cell Growth Inhibition (SRB) Assay	The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90. The competitive displacement was monitored by a decrease in fluorescence polarization of the probe-Hsp90 complex when the inhibitor binds. IC50 values were calculated on the difference in anisotropy from the first and second reads. EC50/IC50 values were measured from HCT116 cell growth inhibition using the SRB method.
2466	1	Receptor Binding Assay	The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.  
2468	1	Receptor Binding Assay	The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.  
2469	1	Receptor Binding Assay	The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.  
2470	1	Enzyme Inhibition Assay	Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively. The Ki values were obtained from a graph of 1/Vs versus [I] by measuring the initial rate of substrate hydrolysis (Vs) in the presence of varying concentrations of inhibitor and at substrate concentrations kept well below Km. However, in most cases, nonlinearity in the initial portion of the progress curves indicated the presence of a slow inhibition process, and the data were analyzed as described in Biochemistry 1992, 31, 12571-12576.
2471	1	Radioligand Labeled Binding Assay and [35S]GTP-gamma-S Binding Assay	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. Opioid agonist functional activities of test compounds, measured as EC50 values were obtained from [35S]GTP-gamma-S binding assay.
2471	2	Radioligand Labeled Binding Assay 	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. 
2472	1	Radioligand Labeled Binding Assay and [35S]GTP-gamma-S Binding Assay	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. Opioid agonist functional activities of test compounds, measured as EC50 values were obtained from [35S]GTP-gamma-S binding assay.
2472	2	Radioligand Labeled Binding Assay 	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. 
2473	1	PI3K Inhibition Assay	Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay. 
2473	2	mTOR Kinase Assay	The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. The DELFIA detection of the phosphorylated (Thr-389) His6-S6K was performed at room temperature using a monoclonal anti-P(T389)-p70S6K antibody (1A5, Cell Signaling) labeled with Europium-N1-ITC (Eu) (10.4 Eu per antibody, PerkinElmer).
2477	1	HTRF Assay of Receptor Tyrosine Kinase	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. IC50 are the means of two determinations with seven concentrations of the test compounds. 
2477	2	HTRF Assay of Receptor Tyrosine Kinase and Cellular KDR Phosphorylation Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC(allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. IC50 are the means of two determinations with seven concentrations of the test compounds. Cellular EC50/IC50 values were obtained from ELISA assay, measuring KDR phosphorylation in NIH3T3 cells stably transfected with full length human KDR.
2482	1	Radioligand Labeled Binding Assay and [35S]GTP-gamma-S Binding Assay	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. Opioid agonist functional activities of test compounds, measured as EC50 values were obtained from [35S]GTP-gamma-S binding assay.
2482	2	Radioligand Labeled Binding Assay 	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. 
2483	1	Radioligand Labeled Binding Assay and [35S]GTP-gamma-S Binding Assay	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. Opioid agonist functional activities of test compounds, measured as EC50 values were obtained from [35S]GTP-gamma-S binding assay.
2483	2	Radioligand Labeled Binding Assay 	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. 
2484	1	Radioligand Labeled Binding Assay and [35S]GTP-gamma-S Binding Assay	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. Opioid agonist functional activities of test compounds, measured as EC50 values were obtained from [35S]GTP-gamma-S binding assay
2484	2	Radioligand Labeled Binding Assay and Phosphatidylinositol Hydrolysis Assay for the CCK Receptor	Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performed in duplicates (40 independent experimental values) using GraphPad Prizm 4 software (GraphPad, San Diego, California). The inhibition constant (Ki) was calculated from the antilogarithmic IC50 value by the Cheng and Prusoff equation. EC50/IC50 values were obtained from measuring the effect of test compounds on agonist-induced phosphatidylinositol hydrolysis. 
2487	1	CYP3A4 Enzyme Inhibition Assay	The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Before running the assay, it was verified that the test compound fluorescence was not the same wavelength as the BFC metabolite. Ketoconazole was used as a positive control in the assay. The fluorescence was measured using a SpectraMax Gemini XS (Molecular Devices Corporation, Sunnyvale, CA).
2489	1	Receptor Binding Assay	The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the presence of excess of DPCPX or CGS15943 for the A1 and A2A membranes, respectively. Bound and free ligands were separated by rapid vacuum filtration, and the bound radioligand was determined by scintillation counting. Binding data were analyzed by nonlinear least-squares curve-fitting algorithms using GraphPad Prism. Ki values were calculated from IC50 values using the Cheng-Prusoff equation. 
2491	1	Receptor Binding Assay	The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the presence of excess of DPCPX or CGS15943 for the A1 and A2A membranes, respectively. Bound and free ligands were separated by rapid vacuum filtration, and the bound radioligand was determined by scintillation counting. Binding data were analyzed by nonlinear least-squares curve-fitting algorithms using GraphPad Prism. Ki values were calculated from IC50 values using the Cheng-Prusoff equation. 
2491	2	hERG Inhibition Assay	A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK293 cells stably transfected with hERG cDNA. Concentration-response curves for test compounds were generated and the maximum inhibition and IC50 value determined.
2494	1	Human A1 Adenosine Receptor Binding Assay	The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined in the presence of 50 uM RPIA. Ki values were calculated from IC50 values using the Cheng-Prusoff equation. 
2497	1	CB Receptor Binding Assay	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. 
2500	1	Radioligand Binding Assay	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3261	1	PDE4A Inhibition Assay	Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assay plates (Greiner Bio-One North America, NC) using a Flying Reagent Dispenser (Aurora Discovery, CA). The plates were centrifuged at 1000 rpm for 30s and compound was transferred to the assay plate using a Kalypsys pin tool. After incubation, cAMP was dispensed into the plates to initiate the reaction. IMAP binding reagent was then added to the assay plate after the reaction. The fluorescence polarization (FP) signal (Ex=485 nm, Em= 530 nm) was measured on Viewlux plate reader (Perkin Elmer, MA).
2504	1	Enzyme Inhibition Assay	An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were performed on an isothermal titration calorimeter, VP-ITC instrument from MicroCal (Northampton, MA). In all cases, the calorimetric cell contained the enzyme solution while the ligand(s) were loaded into the automatic injection syringe. Substrate and inhibitor mixtures were prepared and loaded into the injection syringe to monitor enzyme activity in the presence of inhibitor. Single injection method was used in all studies. The heat change was measured as the reaction progressed until the heat returned to baseline, indicating the end of the reaction. The inhibition constant, Ki was calculated by direct fitting of the data from inhibition assays, or was derived from the Dixon plot for competitive inhibition.
2505	1	Radioligand Labeled Binding Assay and cAMP Production	IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. EC50/IC50 values were measured as either agonism of cAMP production or antagonism of 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptors.
2505	2	Radioligand Labeled Binding Assay	IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
2505	3	Cytochrome P450 Inhibition	The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substrates at concentrations equal to their approximate Km values for each of the CYP enzymes. Metabolites were detected using LC-MS. Peak area ratios for the metabolites against the internal standard were used to express the metabolite formation. The percent of inhibition by the test compound was determined by dividing the peak area ratio obtained in the presence of the compound by the corresponding ratio in the absence of the compound. IC50 values were determined using percent activity remaining (compared to a control sample with no drug added) versus the concentration (log scale) in WinNonlin version 3.2 Model 103.
2506	1	Radioligand Labeled Binding Assay	IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
2510	1	Fluorescence Polarization Assay and FL5.12 Cellular Assay	The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively displace a Bad-derived peptide from Bcl-xL. Compound efficacy (EC50) in a cellular context was evaluated by testing their ability to reverse the protection from cytokine withdrawal afforded by overexpression of Bcl-xL in the IL-3 dependent murine pro-B cell line FL5.12.
2510	2	Fluorescence Polarization (FP) Assay and FL5.12 Cellular Assay	The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively displace a Bad-derived peptide from Bcl-xL. IC50 values were binding affinities measured in the presence of 10% human serum. Compound efficacy (EC50) in a cellular context was evaluated by testing their ability to reverse the protection from cytokine withdrawal afforded by overexpression of Bcl-xL in the IL-3 dependent murine pro-B cell line FL5.12.
2514	1	Enzyme Inhibition Assay	Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substrate, using 96-well nonbinding surface plates. Fluorescence signals were monitored using a Fluoroscan Ascent photon counter spectrophotometer (Thermo-Labsystems, Courtaboeuf, France) equipped with a temperature control device and a plate shaker. The substrate and enzyme concentrations for the experiments were chosen so as to remain well below 10% of substrate utilization and to observe initial rates. For each inhibitor, percentage inhibition was determined in triplicate experiments at five inhibitor concentrations, chosen to observe a 20-80% range of inhibition. Ki values were determined using the method proposed by Horovitz and Leviski, as described in Proc. Natl. Acad. Sci. U.S.A. 1987, 84, 6654.
2516	1	Enzyme Inhibition Assay	Enzyme assay was conducted in 384-well microplates format. Activity was monitored by measuring increase in fluorescence (excitation @320 nm, emission @405 nm) over a 60 minute time course using a BMG Polarstar Galaxy fluorescent plate reader. Compound IC50 values were determined using 10-pt concentration ranges. Rates of substrate hydrolysis were determined from time courses and converted to percent inhibition. Percent inhibition was plotted versus compound concentration and fit to the four parameter logistic equation by non-linear regression using Prism Graphpad software.
2516	2	CPA Inhibition Assay	Assay for the inhibition of carboxypeptidase A (CPDA) was conducted in 96-well microplates format. Activity was monitored by measuring decrease in absorbance (328 nm) over a 15 minute time course using a Spectromax 250 absorbance plate reader.  Compound IC50 values were determined using 10-pt concentration ranges. Rates of substrate hydrolysis were determined from time courses and converted to percent inhibition. Percent inhibition was plotted versus compound concentration and fit to the four parameter logistic equation by non-linear regression using Prism Graphpad software.
2517	1	Enzyme Assay and Luciferase Reporter Assay	The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation, phosphorylated receptors were captured and scintillation counted. EC50 values were obtained from luciferase reporter assay in Mv1Lu p3TP-Lux stable transfectants. 
2517	2	Enzyme Inhibition Assay	The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation, phosphorylated receptors were captured and scintillation counted.
2518	1	Fluorescence Polarization Assay	In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the emitted light is measured. When the probe is bound to protein, it rotates slower than when free, and the remaining fluorescence polarization is higher. The fluorescent anisotropy value for a probe-protein mixture is the average of the value for bound and free probe. For the direct binding asaay, the data (anisotropy, A in mA vs galectin concentration, [G] in uM) were fitted to a simplified formula to obtain Kd.
2521	1	Fluorescence Polarization Assay	In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the emitted light is measured. When the probe is bound to protein, it rotates slower than when free, and the remaining fluorescence polarization is higher. The fluorescent anisotropy value for a probe-protein mixture is the average of the value for bound and free probe. For the direct binding asaay, the data (anisotropy, A in mA vs galectin concentration, [G] in uM) were fitted to a simplified formula to obtain Kd.
2522	1	Radioligand Binding Assay and [35S] GTP-gamma-S Binding Assay	A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presence of 1 uM PGD2. Binding activity was determined by using a 1450 Microbeta scintillation counter (Wallac, UK). Ki values were calculated by using the Cheng-Prusoff equation, and represent the average of at least three independent dose-response experiments. EC50/IC50 values were obtained from GTP-gamma-S binding assay, which measures antagonist activity of compounds in the presence of 80 nM PGD2.
2522	2	Radioligand Binding Assay 	A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presence of 1 uM PGD2. Binding activity was determined by using a 1450 Microbeta scintillation counter (Wallac, UK). Ki values were calculated by using the Cheng-Prusoff equation, and represent the average of at least three independent dose-response experiments.
2525	1	In Vitro GST Activity Assay	The PGDS glutathione-S-transferase (GST) activity was measured by using MonoChloroBimane (MCB) as a chromogenic substrate. The assay was run at 384-well format in reaction buffer containing enzyme and test compound. Then MCB and GSH were added for further incubation. After reaction was stopped, the fluorescence was measured (excitation: 390 nm; emission: 478 nm).
2526	1	In Vitro Inhibition of NEP	NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopped after 1 hr of incubation. The fluorescence was measured at excitation wavelength = 340 nm, emission wavelength = 530 nm.
2529	1	Competition Ligand Binding Assay and Transient Transfection Assay	Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA. [N-Methyl-3H]-GW0438X was added to the blocked receptor-bead. The receptor-bead-radioligand mix was added directly to test compounds in 384-well plates. Displacement of [N-methyl-3H]-GW0438 was measured in a microplate imager. Nonspecific binding was determined in the presence of 10 uM GW0438. Data analysis was achieved using a three-parameter fit. The data were calculated as pIC50s. The pEC50 values were obtained from measurement of Luciferase reporter activity in CV-1 cells transfected with full-length hPXR.
2530	1	TGR5 Activity Assay	For transient transfection assays to analyze TGR5 activity, Chinese hamster ovary (CHO) cells were transfected with hTGR5 expression plasmid, cAMP-responsive element (CRE)-driven luciferase reporter plasmid (pCRE-Luc), and of pCMV-galactosidase plasmid (pCMVb) in each well using the Lipofectamine 2000 reagent (Invitrogen).
2530	2	FXR Activity Assay	To evaluate FXR activity of compounds, COS1 (ATCC) cells were transfected with hFXR expression plasmid, mouse retinoid X receptor expression plasmid, reporter plasmid, and pCMVbeta as internal control in each well, using the Lipofectamine 2000 reagent.
2531	1	PDF Inhibition Assay	Enzyme assay was carried out in 96-well microtiter plates with a SpectraMax plate reader (Molecular Devices Corp.). PDF activity was measured using a continuous enzyme-linked assay. The reaction was triggered with the addition of PDF enzyme, and absorbance was monitored for 15 min at 340 nm. For determination of Km values, substrate concentration was varied up to 45 mM. A standard curve with NADH concentrations ranging from 0 to 1 mM was performed. The velocities obtained in mOD340 nm per minute were then converted to micromolar NADH produced per second to calculate Vmax. To determine IC50s, PDF activity was measured in the presence of increasing concentrations of the inhibitor in the presence of substrate concentration corresponding to Km values. All data fitting was carried out with nonlinear least squares regression using the commercial software package Graphit. 
2532	1	DNA Polymerase Activity Assay	Reaction velocities were determined at each dGTP concentration and used to create double reciprocal plots of velocity versus dGTP concentration. The plots were used to assess the mechanism of inhibition and calculate the apparent Ki value for the inhibitor.
2532	2	DNA Topoisomerase IV Assay	The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.
2532	3	DNA Gyrase Activity Assay	The 50% inhibitory concentration (IC50) is defined as the concentration of compound that inhibits the decatenation of kinetoplast DNA by 50%.
2533	1	hFPRL1-Mediated Ca2+ Mobilization Assay	hFPRL 1 activity was assayed using an aequorin-based bioluminescence assay (Ca2+ flux). EC50 values have been determined by Ca2+ flux in CHO recombinant cells co-expressing hFPRL1, G (alpha15) protein, and aequorin.
2534	1	Cotransfection Assay	Compounds were screened for agonist/antagonist activity on FXR-GAL4 chimeric receptors in transiently transfected HEK-293 cells. The EC50/IC50 values are the molar concentration of the test compound that affords 50% of the maximal reporter activity, or the molar concentrations required to decrease the activity of 100 uM CDCA by 50%.
2535	1	AMACR Inhibition Assay	AMACR activity was determined by monitoring the interconversion of the (25R/S)-isomer of THC-CoA. Reaction product was analyzed by resolution of (25S)-or (25R)-THC-CoA using HPLC, which was carried out with a reversed-phase C18-column and a linear gradient of methanol in potassium phosphate buffer (50 mM, pH 5.3). Kinetic parameters were determined using direct linear plot analysis.
2536	1	Enzyme Inhibition Assay	The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activity was determined by following the change of fluorescence released by the hydrolysis of the substrates, using a fluorescent spectrophotometer (Hitachi F4500) with excitation wavelength of 360 nm and emission at 480 nm. Hydrolysis rates were recorded in presence of six to seven different concentrations of inhibitor. The Ki values were determined by Dixon plots from two sets of data with different concentrations of substrate.
2537	1	PPAR FRET Assay	Activity was assessed by measuring the human PPAR ligand binding domain with the co-activator protein. Europium labeled anti-GST antibody, streptavidin-labeled APC, biotin-labeled co-activator protein, and PPAR-GST were incubated at room temperature in buffer in the presence or absence of test compound. Following 2 h incubation, fluorescence was measured at emission wavelengths of 615 or 655 nm, with excitation at 340 nm.
2546	1	Radioligand Binding Assay	IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived from the Cheng-Prusoff equation, Ki = IC50 / (1+ [L]/Kd), where the ratio [L]/Kd is approximately 1.
2550	1	Thymidine Kinase Inhibition Assay	Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioactivity was counted in scintillation fluid. Enzymes were assayed with at least five inhibitor concentrations in duplicate assays to yield IC50, the inhibitor concentration reducing activity by 50%. 
2552	1	Tpl2/Cot Kinase Assay 	Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculations werw performed using the Xlfit (IDBS) software package. 
2552	2	EGFR Kinase Assay	EGFR kinase activity was assayed using poly(Glu4-Tyr) as a substrate. The phosphorylation of tyrosine residue was detected by an ELISA. IC50 calculations were performed using the Xlfit (IDBS) software package.
2554	1	Fluorescence Imaging Plate Reader (FLIPR) Assay	The functional FLIPR assay was developed from H4 glioma cells in which expression of the endogenous human GHS receptor was enhanced by RAGE-activation. The assay utilized the GHS receptor natural signaling through a calcium phospholipase C mediated pathway; agonists could be tested for their ability to stimulate intracellular calcium mobilization using a calcium-sensitive fluorescent probe. The EC50 was measured by determining the intracellular calcium concentration in a FLIPR assay, with ghrelin serving as the full agonist reference standard. All of the compounds were determined to be full agonist of the receptor.
2555	1	ADA Inhibition Assay	The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometrically. While holding the enzyme and inhibitor concentration constant, the substrate concentration was varied to obtain the kinetic data. The substrate concentration in each assay was measured using up to five different concentrations, ranging from 20 to 60 uM. This was repeated with a different inhibitor concentration. The enzyme concentration was kept constant in all assays. Lineweaver-Burk plots were constructed for each assay and the Ki was calculated using Graph Pad Prism software. Assays were performed in duplicate and in some cases triplicate.
2556	1	NOS Enzyme Inhibition Assay	Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401 nm on a Perkin-Elmer Lambda 10 UV-vis spectrophotometer. The apparent Ki values were obtained by measuring percent inhibition in the presence of 10 uM L-arginine with at least four different concentrations of inhibitor. The IC50 values were determined by linear regression analysis of the percent inhibition data. Inhibition constants Ki were derived from the equation, Ki = IC50 / (1+ [S]/Km). 
2557	1	NOS Enzyme Inhibition Assay	Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401 nm on a Perkin-Elmer Lambda 10 UV-vis spectrophotometer. The apparent Ki values were obtained by measuring percent inhibition in the presence of 10 uM L-arginine with at least four different concentrations of inhibitor. The IC50 values were determined by linear regression analysis of the percent inhibition data. Inhibition constants Ki were derived from the equation, Ki = IC50 / (1+ [S]/Km). 
2559	1	Enzyme Inhibition Assay	The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric assay using microtiter plates and a plate reader (Tecan Infinite M200). All assays were performed in triplicate, and the resulting double-reciprocal plots were analyzed by weighted linear-least-squares fits to the data.
2560	1	Radioligand Filter Binding Assay	Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents in the binding assay were incubated at room temperature for 60 min. The assay was terminated by filtration through glass fiber filters on a Brandel cell harvester. The filters were washed and then counted in liquid scintillation cocktail. 
2561	1	Radioligand Filter Binding Assay	Jurkat cell membranes were incubated with [3H]-labeled ligand in the absence or presence of increasing concentrations of test compound. The reagents in the binding assay were incubated at room temperature for 60 min. The assay was terminated by filtration through glass fiber filters on a Brandel cell harvester. The filters were washed and then counted in liquid scintillation cocktail. 
2561	2	SPA Assay	A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 mg/mL) coated with Jurkat cell membranes were incubated with [125I]-labeled ligand in the absence or presence of increasing concentrations of test compound. The assay reagents were incubated for 18 h at room temperature and radioactivity bound to the membrane-coated beads was determined using a Topcount scintillation counter (Perkin Elmer).
2562	1	NOS Enzyme Inhibition Assay	Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401 nm on a Perkin-Elmer Lambda 10 UV-vis spectrophotometer. The apparent Ki values were obtained by measuring percent inhibition in the presence of 10 uM L-arginine with at least four different concentrations of inhibitor. The IC50 values were determined by linear regression analysis of the percent inhibition data. Inhibition constants Ki were derived from the equation, Ki = IC50 / (1+ [S]/Km).
2563	1	Radioligand Binding Assay 	Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compounds (1 nM - 10 uM) in binding buffer. Total and non-specific binding was determined in the absence and in the presence of unlabelled PK 11195 (1 uM). The incubation was stopped by sample filtration and the radioactivity was counted using a scintillation counter. Protein concentration of mitochondrial suspensions was estimated in accordance with the method of Bradford. For the active compounds, the IC50 values were determined and Ki values were derived in accordance with the equation of Cheng and Prusoff.
2564	1	Radiological Kinase Inhibition Assay	Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding curves using LSW Data Analysis Tool Box version 1.1.1 in MicroSoft Excel.
2565	1	Enzyme Inhibition Assay	Enzyme activity was assayed in a 96-well plate format. TbcatB was incubated with inhibitor compound at room temperature for 20 min before the addition of substrate. V0 was determined by monitoring fluorescence (ex: 350 nm, em: 460 nm) on an Envision plate reader (Perkin-Elmer) for 10 min. All data were collected in triplicate. IC50 values were determined by sigmoidal curve-fitting by GraphPad Prism software. 
2567	1	PNP Inhibition Assay	PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was converted to uric acid by including 60 milliunits of xanthine oxidase (buttermilk, Sigma Corp.) in the reaction mixtures, and by following uric acid formation at 293 nm which gave 12.9 mM-1 cm-1.
2567	2	MTAP/MTAN Inhibition Assay	Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293 nm in a coupled reaction where adenine is oxidized by xanthine oxidase. 
2568	1	AE Enzyme Inhibition Assay	AE activity in the induction medium was measured with the substrate Cbz-Ala-Ala-Asn-AMC. In a black 96-well microtiter plate, aza-peptidyl inhibitors were added to the reaction buffer containing the activated enzyme, and allowed to incubate at room temperature for 20 min. Then, substrate Cbz- Ala-Ala-Asn-AMC was added and the reaction allowed proceeding for 20 min. Plotting the relative fluorescence units (RFU)/min against the inhibitor concentration (uM) permitted calculation of the IC50 value.
2571	1	HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay	Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source. The product, [14C]-mevalonic acid was lactonized and separated from excess substrate via an anion ion exchange resin column, and radioactivity was counted on a scintillation counter. The IC50 values were calculated with GraphPad software (Prism). The cellular assay EC50/IC50 values were obtained from inhibition of cholesterol synthesis in rat hepatocyte.
2572	1	Radioligand Binding Assay	The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated in triplicate. Brandel cell harvesters were used to filter the samples over Whatman GF/B filters, which were presoaked in wash buffer. The 125I retained on the filters was measured in a gamma counter.
2575	1	S1P Receptor Binding Assay	The assay measures the displacement of [33P]-labeled sphingosine-1-phosphate (S1P) by test compounds from human S1P receptors expressed on CHO cell membranes. Binding was performed for 60 min at room temperature and terminated by collecting the membranes onto GF/B filter plates with a Packard Filtermate Universal Harvester. Filter bound radionuclide was measured on a PerkinElmer 1450 MicroBeta. Specific binding was calculated by subtracting radioactivity that remained in the presence of 1000-fold excess of unlabeled S1P.
2578	1	Ligand-Induced Uptake of [35S]-GTP-gamma-S	EC50s were determined by measuring the binding of  [35S]-GTP-gamma-S to S1P receptors expressed in transfected Chinese hamster ovary (CHO) cell membranes. It is found that these modified 3-arylpropionic acids appeared to be more potent when evaluated in the functional assay than in the competitive binding assay, and their EC50 values served as a better guide for interpreting in vivo activity. All 3-arylpropionic acids and their modified analogs are found to be inactive against S1P2,4 receptors (IC50 > 10 uM).
2579	1	Enzyme Inhibition Assay	The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroperoxide product (13-hydroperoxyoctadecadienoic acid) oxidizes Fe2+. The Fe3+ forms a chromophore with xylenol orange that absorbs strongly at 560 nm. Inhibitory activity was compared to an uninhibited (maximal) reaction to yield % inhibition (compound concentration in which enzyme activity is reduced by 50% is termed the IC50).
2581	1	Enzyme Inhibition Assay	The inhibitory activity of the compounds against purified 15-LO enzyme was determined using a standard colorimetric assay in which the lipid hydroperoxide product (13-hydroperoxyoctadecadienoic acid) oxidizes Fe2+. The Fe3+ forms a chromophore with xylenol orange that absorbs strongly at 560 nm. Inhibitory activity was compared to an uninhibited (maximal) reaction to yield % inhibition (compound concentration in which enzyme activity is reduced by 50% is termed the IC50).
2583	1	Enzyme Inhibition Assay	Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glutathione (GSH) and bovine glutathione peroxidase-1 were included in the assay. The reaction was started by the addition of AA and CaCl2. After incubation, reaction was stopped with 1 ml of methanol, and formed 5-LO metabolites were extracted and analyzed by HPLC. 
2584	1	Soybean Lipoxygenase Inhibition Assay	The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate at a final concentration of 0.1 mM. The conversion of sodium linoleate to 13-hydroperoxylinoleic acid was measured at 234 nm. Nordihydroguaretic acid, an appropriate standard inhibitor, was used as positive control. 
2584	2	COX Inhibitor Screening Assay	The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The assay directly measures PGF2a produced by SnCl2 reduction of COX-derived PGH2. The prostanoid production was quantified via enzyme immunoassay using a broadly specific antibody that binds to all the major prostaglandin compounds. IC50 values were calculated for the most active compounds. Naproxen and indomethacin were used as the positive controls.
2585	1	COX Inhibitor Screening Assay	The COX enzyme activities were measured using the COX Inhibitor Screening Assay  kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The assay directly measures PGF2a produced by SnCl2 reduction of COX-derived PGH2. This assay is based on the competition between prostaglandins (PGs) and a PG-acetylcholinesterase conjugate (PG tracer) for a limited amount of PG antiserum. IC50 values were calculated from the concentration-inhibition response curve (duplicate determinations). 
2589	1	FRET Assay for LRH-1 	The screen utilizes a ligand mediated co-factor interaction between purified bacterial expressed ligand binding domain of human LRH1 and a TIF2-derived peptide. Detection of the associated complex was measured by time resolved fluorescence energy transfer (TR-FRET). The EC50s of the test compound was estimated from a plot using the ratio of fluorescence values collected at 671 nm to fluorescence values collected 618 nm versus concentration of test compound added. Test compounds (agonists) that increased the affinity of the receptors for the peptide yielded an increase in fluorescent signal.
2591	1	Ligand Binding Assay	Brains from male Sprague-Dawley rats were removed, dissected, and rapidly frozen. Ligand binding experiments were conducted in assay tubes containing radioligand, rat membrane tissue, and test compounds. Incubations were terminated by filtration with through GF/B filters. Results were analyzed using the Equilibrium Binding Data Analysis software (EBDA, Biosoft).
2595	1	Fluorescence Energy Transfer (FRET) Measurement	The IC50s of compounds were determined in the FRET assay, which was conducted as time-resolved measurement (TR-FRET) in a 1536 well plate format. The Cy5-labeled PGC-1 alpha derived peptide was added to the plates containing the His-ERRalpha LBD. The TR-FRET readout was performed on an Envision 2102 reader (PerkinElmer Life Sciences) with an excitation at 350 nm, first emission (donor) at 615 nm, and second emission (acceptor) at 665 nm. The readout was calculated according to X = donor/acceptor x 1000. Data were fitted with XLfit4 after plate normalization of the derived data.
2597	1	Radioligand Displacement Assay	Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand.
2598	1	ERRgamma FRET Assay	Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ratio of Europium labeled streptavidin-ERRgamma: APC labeled streptavidin-RIP140 Complex. The proteins were incubated for 30 minutes then excess biotin was added to fill vacant streptavidin (SA) sites. Protein mixture was added to prepared plates. They were then counted on the Wallac Victor, and counts were then analyzed.
2599	1	Enzyme Inhibition Assay	To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubated with fluorophore-conjugated substrate. Quantitative measurements were obtained in real time on a Varioskan microplate reader (Thermo), in the presence of increasing concentrations of the inhibitor. Data were normalized to a control reaction in the presence of an equal volume of DMSO. Each measurement represents the arithmetic mean of three independent experiments. Increasing concentrations of all compounds resulted in a dose dependent inhibition of HDAC.
2600	1	Human 11beta-HSD1 Scintillation Proximity Assay (SPA)	The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NADPH. Reactions were initiated by the addition of the enzyme. After incubation, the amount of the product, [3H]-cortisol, captured on the anticortisol antibody-coated SPA beads was determined in a microplate liquid scintillation counter. Kinetic constants were calculated using the Microsoft Excel integrated application XLfit (Version 5.3.0.19, ID Business Solutions Ltd.) using the sigmoidal dose-response model 205, which is based on the nonlinear curve fitting based on Levenberg-Marquardts algorithm.
2600	2	Mouse and Rat 11beta-HSD1 SPA Assay	Enzyme assays were performed using purified recombinant enzymes, incubating with test compound and [3H]cortisone/NADPH. After incubation, the amount of the product, [3H]-cortisol, captured on the anticortisol antibody-coated SPA beads was determined in a microplate liquid scintillation counter. Kinetic constants were calculated using the Microsoft Excel integrated application XLfit (Version 5.3.0.19, ID Business Solutions Ltd.) using the sigmoidal dose-response model 205, which is based on the nonlinear curve fitting based on Levenberg-Marquardts algorithm.
2602	1	GPR40 FDSS Assay	 Human embryonic kidney (HEK293) cells expressing human GPR40 receptors were grown in Dulbecco modified Eagles medium (DMEM)/F12 media supplemented with 10% fetal FBS and glutamine. Changes in ligand-induced calcium-dependent intracellular fluorescence were measured with a fluorometric plate reader (FDSS; Hamamatsu Corp., Bridgewater, NJ).
2603	1	96-Well Adherent Reporter Cell Assay	The reporter assay for the stable hGPR40-Gal4-Elk1/5xGal4-luc+-expressing CHO cells was first carried out in the serum-free medium in the presence of test ligand for 5h. The medium was then removed and replaced with 1:1 mixture of LucPlusTM (PerkinElmer Life Sciences) and Dulbecco phosphate buffered saline containing 1 mM CaCl2 and 1 mM MgCl2. Plates were incubated in the dark at room temperature for 10 min before  luciferase activity was determined using a TopCountTM microplate scintillation counter (PerkinElmer Life Sciences) at a count time of 3 s/well.
2605	1	Radioligand Binding Assay and Functional [35S]GTP-gamma-S Binding Assay	Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation counting. Nonspecific binding was determined in the presence of 1 uM thioperamide. The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff. EC50 is a measure of functional property of compound on [35S]GTP-gamma-S binding to membranes expressing H3R receptors.
2605	2	H3R Radioligand Binding Assay 	Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation counting. Nonspecific binding was determined in the presence of 1 uM thioperamide. The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2605	3	H4R Radioligand Binding Assay	Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation counting. Nonspecific binding was determined in the presence of 10 uM histamine. The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2606	1	Radioligand Binding Assay	The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2607	1	Radioligand Binding Assay	The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2608	1	Time-Dependent Inhibition Assay	For the time-dependent inhibition studies, COX enzyme was incubated with test co mpounds for 20 min and then analyzed for remaining COX activity by treatment wit h [1-14C]arachidonic acid 30 sec at 37&#176;C. All IC50 values are average determina tions from two independent experiments.
2609	1	AICAR Tfase Inhibition Assay	The human ATIC enzyme was used for the inhibition assay. The assay buffer was flushed with nitrogen to minimize oxidization of cofactor 10-f-THF. The reaction was initiated by adding the substrate AICAR to reaction mixtures containing ATIC, test compounds, and different concentrations of cofactor. Using a SpectraMax Plus384 microplate reader, the reaction was monitored at 298 nm by measuring the increase in absorbance corresponding to the formation of THF. The THF was generated in the transfer reaction of the formyl group from cofactor to AICAR to produce 5-formyl-AICAR. IC50 values were measured from dose-response curves.
2610	1	IMPCH Activity Assay	The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance at 248 nm. Double reciprocal plots were used to determine the Ki values. Each value was determined using data from two independent experiments.
2610	2	GAR Tfase Activity Assay	Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the deformylation of fDDF resulting from the transfer of the formyl group to GAR. Reaction rates were measured in triplicate using a Gilford 252 spectrophotometer. Double reciprocal plots were used to determine the Ki values.
2610	3	AICAR Tfase Inhibition Assay	Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance corresponding to the formation of THF. The THF was generated in the transfer reaction of the formyl group from cofactor to AICAR to produce 5-formyl-AICAR. Double reciprocal plots were used to determine the Ki values.
2616	1	Microtiter Plate Assay for Strand Transfer	The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime end of each DNA strand. Integrase was first assembled with immobilized LTR oligonucleotides for 30 min. Inhibitors were added after assembly and washings. For the strand transfer reaction, it was initiated with the addition of the biotinylated target substrate. Strand transfer reaction mixtures were incubated for additional 30 min, and the strand transfer products were detected by using alkaline phosphatase-conjugated avidin (Boehringer Mannheim, Indianapolis, Ind.). IC50 is the concentration of inhibitor that reduces HIV integrase activity by 50%. 
2618	1	Microtiter Plate Assay for Strand Transfer	The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime end of each DNA strand. Integrase was first assembled with immobilized LTR oligonucleotides for 30 min. Inhibitors were added after assembly and washings. For the strand transfer reaction, it was initiated with the addition of the biotinylated target substrate. Strand transfer reaction mixtures were incubated for additional 30 min, and the strand transfer products were detected by using alkaline phosphatase-conjugated avidin (Boehringer Mannheim, Indianapolis, Ind.). IC50 is the concentration of inhibitor that reduces HIV integrase activity by 50%. 
2620	1	Microtiter Plate Assay for Strand Transfer	The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime end of each DNA strand. Integrase was first assembled with immobilized LTR oligonucleotides for 30 min. Inhibitors were added after assembly and washings. For the strand transfer reaction, it was initiated with the addition of the biotinylated target substrate. Strand transfer reaction mixtures were incubated for additional 30 min, and the strand transfer products were detected by using alkaline phosphatase-conjugated avidin (Boehringer Mannheim, Indianapolis, Ind.). IC50 is the concentration of inhibitor that reduces HIV integrase activity by 50%. 
2621	1	Enzyme Inhibition Assay	CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm was measured at 15 sec intervals for 5 min and compared to wells containing no inhibitor. Compounds that demonstrated 50% reduction in CE activity were subsequently evaluated in detail. Further analysis of inhibitors was performed in condition that inhibitor concentrations ranged from 1 pM to 100 uM. Data were fitted to the equation. Examination of curve fits to identify the best model for enzyme inhibition. Ki values were then calculated from the equation predicted by Prism to be the best fit for the experimental data.
2631	1	Enzyme Inhibition Assay	CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm was measured at 15 sec intervals for 5 min and compared to wells containing no inhibitor. Compounds that demonstrated 50% reduction in CE activity were subsequently evaluated in detail. Further analysis of inhibitors was performed in condition that inhibitor concentrations ranged from 1 pM to 100 uM. Data were fitted to the equation. Examination of curve fits to identify the best model for enzyme inhibition. Ki values were then calculated from the equation predicted by Prism to be the best fit for the experimental data.
2631	2	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were obtained from replots of the slopes of reciprocal plots of initial velocity and substrate concentrations vs inhibitor concentration.
2642	1	Enzyme Inhibition Assay	CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm was measured at 15 sec intervals for 5 min and compared to wells containing no inhibitor. Compounds that demonstrated 50% reduction in CE activity were subsequently evaluated in detail. Further analysis of inhibitors was performed in condition that inhibitor concentrations ranged from 1 pM to 100 uM. Data were fitted to the equation. Examination of curve fits to identify the best model for enzyme inhibition. Ki values were then calculated from the equation predicted by Prism to be the best fit for the experimental data.
2642	2	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were obtained from replots of the slopes of reciprocal plots of initial velocity and substrate concentrations vs inhibitor concentration.
2645	1	H4R Radioligand Binding Assay	Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation counting. The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2645	2	H3R Radioligand Binding Assay 	Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation counting. The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.
2648	1	ADA Inhibition Assay	The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by addition of ADA to a mixture of adenosine and test compound. The reaction was followed at room temperature by recording the decrease in A265 for 5 min in SPECTRAmax 250 (Molecular Devices, USA) to automatically calculate Vmax. The inhibition constant (Ki) values of test compounds were determined by Dixon plot.
2649	1	ADA Inhibition Assay	The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by addition of ADA to a mixture of adenosine and test compound. The reaction was followed at room temperature by recording the decrease in A265 for 5 min in SPECTRAmax 250 (Molecular Devices, USA) to automatically calculate Vmax. The inhibition constant (Ki) values of test compounds were determined by Dixon plot.
2650	1	ADA Inhibition Assay	The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by addition of ADA to a mixture of adenosine and test compound. The reaction was followed at room temperature by recording the decrease in A265 for 5 min in SPECTRAmax 250 (Molecular Devices, USA) to automatically calculate Vmax. The inhibition constant (Ki) values of test compounds were determined by Dixon plot.
2651	1	ADA Inhibition Assay	The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by addition of ADA to a mixture of adenosine and test compound. The reaction was followed at room temperature by recording the decrease in A265 for 5 min in SPECTRAmax 250 (Molecular Devices, USA) to automatically calculate Vmax. The inhibition constant (Ki) values of test compounds were determined by Dixon plot.
2652	1	Time-Dependent Inhibition Assay	For the time-dependent inhibition studies, COX enzyme was incubated with test compounds for 20 min and then analyzed for remaining COX activity by treatment with [1-14C]arachidonic acid 30 sec at 37&#176;C. All IC50 values are average determinations from two independent experiments.
2655	1	In Vitro Ligase Activity Assay	The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were resolved electrophoretically. The autoradiograms were developed, and the extent of ligation was measured. The IC50 values were determined by plotting the relative ligation activity vs inhibitor concentration, and fitting to equation Vi/Vo=IC50/(IC50+[I]) using GraphPad Prism. Vo and Vi represent the rate of ligation in the absence and presence of inhibitor.
2656	1	In Vitro Ligase Activity Assay	The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were resolved electrophoretically. The autoradiograms were developed, and the extent of ligation was measured. The IC50 values were determined by plotting the relative ligation activity vs inhibitor concentration, and fitting to equation Vi/Vo=IC50/(IC50+[I]) using GraphPad Prism. Vo and Vi represent the rate of ligation in the absence and presence of inhibitor.
2657	1	FAAH Inhibition Assay	The effect of the test compounds on the enzymatic hydrolysis of [14C]anandamide was evaluated by using membranes prepared from rat brain. [14C]Ethanolamine produced from [14C]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase after extraction of the incubation mixture. Data are expressed as the concentration exerting a half maximal inhibition (IC50). 
2657	2	Effects on Capsaicin-Induced Intracellular Ca2+ Elevation Assay	The antagonistic effects of test compounds were evaluated using HEK293 cells stably overexpressing human TRPV1. Experiments were carried out by measuring cell fluorescence at 25 &#176;C (excitation@488 nm and emission@540 nm) before and after the addition of the test compounds at various concentrations. Potency data are expressed as the concentrations exerting a half maximal inhibition (IC50).
2660	1	FAAH Inhibition Assay	The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three different concentrations of inhibitor. The 14C-labeled oleamide (substrate) and oleic acid (product) were extracted and analyzed by TLC. The Ki of the inhibitor was calculated using a Dixon plot. Lineweaver-Burk analysis was performed, confirming competitive, reversible inhibition.
2660	2	TGH Inhibition Assay	Inhibition of TGH activity was assayed using COS-7 expressed TGH and the chromogenic substrate. IC50 values were determined from the inhibition observed at 7 different inhibitor concentrations (three trials each). 
2666	1	Falcipain-2 Inhibition Assay	IC50 values against the recombinant falcipain-2 were determined by incubating protein with different concentrations of inhibitors in reaction buffer after addition of the substrate. Fluorescence was continuously monitored for 30 min at room temperature in a Labsystems Fluoroscan Ascent spectrofluorometer. IC50 values were determined from plots of activity over inhibitor concentration with GraphPad Prism software.
2667	1	[32P] S1P Binding Assay	Ki Values were determined by competition of [32P]-S1P binding to stably transfected CHO (S1P1,2,4) or RH7777 (S1P3,5) cells expressing the indicated S1P receptors.
2668	1	In vitro D-Amino Acid Oxidase Assay	D-amino acid oxidase (DAAO) was assayed in a 96-well plate format. D-serine was oxidatively deaminated by porcine D-amino acid oxidase in the presence of molecular oxygen and flavin adenosine dinucleotide (FAD) to yield the corresponding alpha-keto acid, ammonia and hydrogen peroxide. The resulting hydrogen peroxide was quantified using horseradish peroxidase and o-phenylenediamine, which displays a defined yellow absorbance at 411 nm when it becomes oxidized. 
2669	1	Enzyme Inhibition Assay	The activity of the compounds is determined by measuring the inhibitory effect of the compounds in the direction of glycogen synthesis, the conversion of glucose-1-phosphate into glycogen with the release of inorganic phosphate, which was monitored using microplate reader (BIO-RAD).  The phosphate absorbance was measured at 655 nm. The IC50 values were estimated by fitting the inhibition data to a dose dependent curve using a logistic derivative equation.
2670	1	Enzyme Inhibition Assay	Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data were graphically analyzed by Lineweaver-Burk double reciprocal plots
2671	1	Enzyme Inhibition Assay	Enzyme reaction was monitored by measuring the NADH absorption at 340 nm on a UV-Vis spectrometer. The formation of NADH was measured for 30 s. Data were graphically analyzed by Lineweaver-Burk double reciprocal plots
2672	1	Lactate Dehydrogenase Inhibition Assay	LDH was assayed spectrophotometrically for reduction of pyruvate using NADH by recording the changed in absorbance at 340 nm. The reaction was initiated by the addition of NADH, and the decrease in absorbance at 340 nm was monitored for 5 min. The compounds showing inhibition of more than 50% at 50 ug/mL concentration were retested and their IC50 values were determined.
2674	1	Lactate Dehydrogenase Inhibition Assay	An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and coupled with the ability of diaphorase to reduce p-iodonitrotetrazolium violet using the NADH generated in the conversion of lactate to pyruvate. The progression of the coupling reaction was monitored as the increase of absorbance at 492 nm. Positive hits were subjected to additional analysis to determine IC50 values.
2676	1	Evaluation of Inhibitors with Recombinant LC/A	Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plate reader. Fluorimeter parameters consisted of excitation@490 nm (slit width =2 nm), an emission@532 nm (slit width =2 nm), and a cut-off filter at 495 nm. Initial rates were measured from the linear region of each assay. IC50 values were determined by using equation that includes initial rates in the presence/absence of inhibitor.
2677	1	Evaluation of Inhibitors with Recombinant LC/A	Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plate reader. Fluorimeter parameters consisted of excitation@490 nm (slit width =2 nm), an emission@532 nm (slit width =2 nm), and a cut-off filter at 495 nm. Initial rates were measured from the linear region of each assay. IC50 values were determined by using equation that includes initial rates in the presence/absence of inhibitor.
2678	1	Evaluation of Inhibitors with Recombinant LC/A	Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plate reader. Fluorimeter parameters consisted of excitation@490 nm (slit width =2 nm), an emission@532 nm (slit width =2 nm), and a cut-off filter at 495 nm. Initial rates were measured from the linear region of each assay. IC50 values were determined by using equation that includes initial rates in the presence/absence of inhibitor.
2679	1	BoNT/A LC Metalloprotease Activity Assay	Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNAP-25. Percent inhibition measurements were performed in duplicate, and in all cases standard deviations were less than +/-25%. IC50 values for the inhibitors were calculated from plots of concentration versus inhibition using 7-9 concentrations of inhibitors.
2680	1	SARS-CoV 3CL Protease Inhibition Assay	The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of the substrate peptide was monitored. IC50 values were obtained from dose response curves.
2681	1	FAAH Inhibition Assay	The effect of the test compounds on the enzymatic hydrolysis of [3H]anandamide was evaluated by using rat brain homogenate preparations. [3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase after extraction of the incubation mixture. Data are expressed as the concentration exerting a half maximal inhibition (IC50).
2682	1	Peptidyl Prolyl Isomerase (PPIase) Inibition Assay	PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observation that chymotrypsin cleaves the C-terminal amide bond only in the trans conformer of the chromogenic substrate. The rapid hydrolysis perturbs the cis-trans conformational equilibrium, which allows one to monitor the PPIase-catalyzed cis-to-trans isomerization. Absorbance readings were collected on a spectrophotometer by use of commercial data acquisition software. The progress curves were analyzed by nonlinear least-squares fit to the integrated rate equation.
2683	1	Peptidyl Prolyl Isomerase (PPIase) Inibition Assay	PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observation that chymotrypsin cleaves the C-terminal amide bond only in the trans conformer of the chromogenic substrate. The rapid hydrolysis perturbs the cis-trans conformational equilibrium, which allows one to monitor the PPIase-catalyzed cis-to-trans isomerization.  The absorbance at 390 nM versus time was monitored for up to 400 s. Rate constants were generated from the absorbance versus time plots at 8-12 compound concentrations. The Kiapp was determined from the corrected rate constants using an IC50 equation or a tight-binding equation by Morrison. 
2686	1	Integrase 3-End Joining Assay	In the 3-end joining assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow processing of the donor DNA. Serially diluted compounds and DIG-tagged target DNA were then added to each well, and 3-end joining reaction was allowed to proceed for 30 min. Signal was detected using horseradishperoxidase-conjugated anti-Digoxin antibody through chemiluminescence measurement. 
2687	1	In Vitro alpha-Amylase Activity Assay	The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined by the Nelson-Somogyi procedure by measuring the absorbance at 540 nm. The potency of the inhibition was determined by IC50 values and maximum percentage of inhibition.
2688	1	Enzyme Inhibition Assay	Enzyme reactions were carried out on Costar 96-well black assay plates. After the reaction, AMC fluorescence (excitation wavelength: 355 nm, emission wavelength: 460 nm) was subsequently measured 40 times every 3 s with a Wallac 1420 multi-label counter. Initial velocities (from 0 to 30 s) were used for IC50 determination, using GraphPad Prism 4 software. 
2689	1	Ligand Affinity Measurements	Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The enzyme was stripped of all metal ions, and was reconstituted with Zn2+ (1:1 ratio) by the addition of ZnSO4. The calorimeter cell contained enzyme (40 or 60 uM), and the syringe contained ligand (250 or 400 uM). A series of 30 injections of 8 ul each were performed at 180-s intervals. Titrations of aliphatic compounds into buffer were also performed as control experiments using identical conditions. Data were fit to a single binding site model using Origin v. 2.9. 
2693	1	TACE Inhibition Assay	Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally quenched peptide substrate. The reaction was started by the addition of the substrate. The fluorescent intensity (excitation at 320 nm, emission at 405 nm) was measured every 45 s for 30 min using a fluorospectrometer (GEMINI XS, Molecular Devices). Values of Ki were calculated by the PRISM program based on one-site competitive inhibition mode. Each Ki value was an average of three determinations, and the standard errors for all Ki determinations were less than 10%.
2695	1	TACE Inhibition Assay	Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonance energy transfer (FRET) assay. The human TACE protein was pretreated with the inhibitors for 10 min at room temperature. The reaction was initiated by the addition of pro-TNF-alpha peptide to the TACE protein, and the increase in fluorescence was monitored at excitation of 320 nm and emission of 420 nm over a period of 10 min. Under this assay condition, the IC50 value is very close to the Ki value.
2695	2	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2695	3	Aggrecanase-1 Inhibition Assay	The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of the WAAG-3R substrate at a final concentration of 25 uM. The reaction is monitored at excitation of 340 nm and emission of 420 nm over a period of 30 min in a fluorimeter (GeminiXS; Molecular Devices Corp., Sunnyvale, CA).
2696	1	TACE Inhibition Assay	Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonance energy transfer (FRET) assay. The human TACE protein was pretreated with the inhibitors for 10 min at room temperature. The reaction was initiated by the addition of pro-TNF-alpha peptide to the TACE protein, and the increase in fluorescence was monitored at excitation of 320 nm and emission of 420 nm over a period of 10 min. Under this assay condition, the IC50 value is very close to the Ki value.
2696	2	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2698	1	Tritiated Niacin Binding Assay and [35S]-GTP-gammaS Binding Assay	Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were filtered through Packard Unifilter GF/C plates using a Packard 96-well Harvester, and the bound radioactivity was measured using a Packard TopCount scintillation counter. Non-specific binding was determined in the presence of 250 uM unlabeled niacin. EC50/IC50 values were obtained from [35S]-GTP-gammaS binding assay using membranes prepared from Chinese Hamster Ovary (CHO)-K1 cells stably expressing GPR109A or vector control. 
2699	1	IC50 Value Determination	After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration were calculated from the OD405 nm value from the experimental and control samples. IC50 values were calculated from a sigmoidal dose-response non linear regression equation using GraphPad Prism, version 5.01 (GraphPad Software). The reported IC50 are expressed as mean of measurements.
2705	1	FabD/FabH Coupled Assay	The potency of FabH inhibition (IC50) was determined using [3H]- or [14C]-radiolabeled substrates. This was accomplished at fixed concentrations of acetyl-CoA in a coupled FabD/FabH assay system that generates the substrate malonyl-ACP in situ. Subsequently, the FabH acetylation reaction was performed to exclude the possible contribution of undesired FabD inhibitory activity. The incorporation of the 3H (or [14C]) signal in the final product was read by liquid scintillation.
2707	1	Flow Cytometric Assay	The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells incubated with fluorescent probe in the presence or absence of varying concentrations of test compounds.  Flow cytometric measurements of cell-associated fluorescence were performed with a FACSCalibur instrument (Becton Dickinson, San Jose, CA). Percentage (%) of control (ENT1 transporter specific fluorescence in the presence of SAENTA-fluorescein without test compounds) was calculated for each sample. The results were fed into the GraphPad PRISM to derive concentration-dependent curves. From these curves, the IC50 values were obtained and used to calculate inhibition constants (Ki).
2710	1	Human Neutrophil Elastase Inhibition Assay	HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer containing enzyme and test compounds. Kinetic measurements were obtained using a Fluoroskan Ascent FL fluorescence microplate reader (Thermo Electron, MA) with excitation and emission wavelengths at 355 and 460 nm, respectively. For selected lead compounds, the inhibition constant (Ki) values were determined using Dixon plots of three to four different concentrations of the substrate. At each substrate concentration, rates were determined with four to five different inhibitor concentrations, and the inverse of the velocities was plotted against the final inhibitor concentration. Ki was determined from the intersection of the plotted lines.
2710	2	Human Neutrophil Elastase Inhibition Assay	HTS was performed in black flat-bottom 96-well microtiter plates. The reaction was initiated by addition of elastase substrate to the reaction buffer containing enzyme and test compounds. Kinetic measurements were obtained using a Fluoroskan Ascent FL fluorescence microplate reader (Thermo Electron, MA) with excitation and emission wavelengths at 355 and 460 nm, respectively. For selected lead compounds, the inhibition constant (Ki) values were determined using Dixon plots of three to four different concentrations of the substrate. At each substrate concentration, rates were determined with four to five different inhibitor concentrations, and the inverse of the velocities was plotted against the final inhibitor concentration. Ki was determined from the intersection of the plotted lines.
2717	1	Enzymatic Inhibition Assay	Phospholipase A2 was assayed using unlabeled lipids as substrate and 1-anilinonaphthalene-8-sulfonate (ANS) as a probe for the interfacial reaction. The assay was carried out in a 96-well plate utilizing a multiwell fluorometer (SpectraMax GeminiXS, Molecular Devices). The reaction was monitored by excitation at 377 nm and emission at 470 nm. Fluorescent signals were monitored by a kinetics mode program. The IC50 values were determined by plotting concentration-velocity curves from at least three separate experiments. The initial velocities of the change in fluorescence intensity with various inhibitor concentrations were used to calculate the IC50 values.
2718	1	Fluorimetric Assay	PLA2 activity is by using the fluorescent phospholipid analogue, beta-pyC-10-PG as the substrate. The increase in fluorescence (ex @342 nm and em@388 nm) of the enzymatic reaction was recorded with a spectrofluorimeter LS50 (Perkin-Elmer). The PLA2 activity was then calculated. The activity is expressed in micromoles of fluorescent beta-pyC-10-PG hydrolyzed per min and per mg of PLA2. This allows the determination of the IC50 values (concentration of inhibitors producing 50% inhibition) of each compound.
2720	1	Inhibition of Eg5 ATPase Activity	The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal Eg5 activity at low protein concentration, measurements were performed in the presence of 300 mM NaCl. Eg5 at seven different concentrations was incubated at room temperature for 25 min with test compounds from 0 to 5 uM. After the reaction, the resulting decrease in absorbance at 340 nm was measured using the 96-well Sunrise photometer.
2723	1	alpha-Glucosidase Inhibition Assay	The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chromogenic substrate in the presence or absence of test compounds were incubated, and the amount of released p-nitrophenol was measured based on the absorbance at 405 nm. The IC50 values were calculated from the dose-response curves.
2723	2	Reporter Gene Assay	Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. Test compounds with or without 100 nM T0901317 were added 8 h after the transfection. After overnight incubation, luciferase and beta-galactosidase activities were assayed using a luminometer.
2725	1	mu-Calpain Inhibition Assay	Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO were used as controls. Ki values were determined according to Dixon methods.
2726	1	Determination of Inhibition Constants	The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used.  After the addition of the enzyme to reaction mixtures containing chromogenic substrate and test compound, the optical density was monitored at 405 nm. The Ki-values were calculated according to Dixon using a linear regression program. The Ki-values reported are means from at least three determinations.
2736	1	In Vitro Binding Assay	Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the iterative curve-fitting program GraphPad Prism (version 4.0). IC50 values were converted into the apparent Ki using the Cheng-Prussoff equation and Kd values of 0.01 nM.
2738	1	IP Receptor Filter Binding Assay and cAMP Assay	IP receptor binding activity was quantified via a filter binding assay measuring displacement of [3H]-Iloprost binding to human platelet membranes. Raw data were fit to the Michaelis-Menten equation to calculate IC50 values. EC50/IC50 values were obtained from functional antagonism assay by measuring the inhibition of cAMP production induced by Iloprost in human erythroleukemia (HEL) cells using a Perkin-Elmer LANCETM cAMP detection kit.
2739	1	Enzyme Inhibition Assay	Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured to determine initial velocities. Ki values were determined using a Dixon plot.
2742	1	ADAMTS-5 Inhibition Assay	ADAMTS-5 activity was determined using a fluorescence resonance energy transfer (FRET) assay using a QF peptide containing an aggrecanase cleavage site.
2742	2	Aggrecanase-1 Inhibition Assay	The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of the WAAG-3R substrate at a final concentration of 25 uM. The reaction is monitored at excitation of 340 nm and emission of 420 nm over a period of 30 min in a fluorimeter (GeminiXS; Molecular Devices Corp., Sunnyvale, CA).
2742	3	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2744	1	Aggrecanase-1 Inhibition Assay	The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of the WAAG-3R substrate at a final concentration of 25 uM. The reaction is monitored at excitation of 340 nm and emission of 420 nm over a period of 30 min in a fluorimeter (GeminiXS; Molecular Devices Corp., Sunnyvale, CA).
2744	2	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2745	1	Kinesin ATPase In Vitro Assay	The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23&#176;C in buffer. After reaction was terminated, free ph osphate from the ATP hydrolysis reaction is measured via a quinaldine red/ammoni um molybdate assay. The absorbance of the phospho-molybdate complex is measured Human poly-histidine tagged KSP motor domain was cloned, and protein was expressed in E. coli.
2745	2	hERG Radioligand Competition Assay	The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably express hERG. 
2746	1	Kinesin ATPase In Vitro Assay	The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23&#176;C in buffer. After reaction was terminated, free ph osphate from the ATP hydrolysis reaction is measured via a quinaldine red/ammoni um molybdate assay. The absorbance of the phospho-molybdate complex is measured Human poly-histidine tagged KSP motor domain was cloned, and protein was expressed in E. coli.
2746	2	hERG Radioligand Competition Assay	The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably express hERG. 
2747	1	Kinesin ATPase In Vitro Assay	The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23&#176;C in buffer. After reaction was terminated, free ph osphate from the ATP hydrolysis reaction is measured via a quinaldine red/ammoni um molybdate assay. The absorbance of the phospho-molybdate complex is measured Human poly-histidine tagged KSP motor domain was cloned, and protein was expressed in E. coli.
2747	2	hERG Radioligand Competition Assay	The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably express hERG. 
2748	1	Microtubule-Activated Eg5 ATPase Assay	ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).
2750	1	Microtubule-Stimulated KSP ATPase Activity Assay	KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMSO) and positive (compound 2a, as a racemic mixture) controls. Data analysis was performed using Spotfire (v8.1, Spotfire, Inc.) and Kalypsys software.
2752	1	[3H]GABA Filtration Binding Assay (Ki) and FLIPR Assay for Agonism (EC50)	Inhibition of [3H]GABA binding at GABAB receptor sites in rat brain synaptic membranes by test compounds was measured using a filtration binding assay. Displacement curves to determine IC50 values were constructed by fitting the 4-parameter logistic equation to the data. Kd for GABA was determined on each preparation by homologous competition and used to calculate Ki values from IC50 determinations using the Cheng-Prusoff equation. The average Kd for GABA was determined to 110 +/- 21 nM. The EC50/IC50 values were obtained from measurement of GABAB receptor dependent release of intracellular calcium in Fluorescence Imaging Plate Reader (FLIPR) assay using CHO cells transfected with GABAB(1a)-Gqi5 and GABAB(2).
2753	1	Epoxide Hydrolase Assay	Recombinant human LTA4H was incubated with various concentrations of test compound for 10 min at room temperature in assay buffer, and the substrate, LTA4, was added. After 10-30 min at room temperature, the assay was terminated, and the amount of LTB4 produced was assayed by enzyme immunoassay (EIA). The concentration of compound that was required for half-maximal inhibition of recombinant enzyme activity (IC50) was calculated by nonlinear regression using Graphpad Prism 4.0, one site binding competition.
2753	2	[3H]Astemizole Binding Assay	Compounds were assessed for their ability to displace [3H]astemizole using membranes from HEK-293 cells expressing the hERG K+ channel.
2756	1	Peptidase Assay	Compound potency against the peptidase activity of LTA4 hydrolase was measured by inhibition of the hydrolysis of L-alanine-p-nitroanilide to L-alanine and highly colored nitroaniline. Formation of colored nitroaniline was measured by the increase in absorbance at 405 nm. Spontaneous hydrolysis of the substrate was corrected for by subtracting the absorbance of control incubations without enzyme. The IC50 values were determined from dose-response curves by non-linear fit of data to the 4-parameter fit equation. At least two independent determinations were made for each IC50 value.
2758	1	Aromatase Inhibition Assay	The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using [1beta-3H] androstenedione over 3 hrs, determined by measuring the total amount of 3H-labeled H2O formed during aromatization.
2758	2	Sulfatase Inhibition Assay	The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using [6,7-3H] E1S over 3 hrs, determined by measuring the total amount of 3H-labeled estrone and estradiol formed.
2760	1	Aromatase Inhibition Assay	The extent of in vitro inhibition of aromatase activities was assessed using intact monolayers of JEG-3 cells. Aromatase activity was measured using [1beta-3H] androstenedione over 3 hrs, determined by measuring the total amount of 3H-labeled H2O formed during aromatization.
2762	1	HDAC Inhibition Assay	The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic separation of substrate and product carried out using a microfluidic system followed by quantitation of fluorescence intensity in the substrate and product peaks. IC50 values were calculated using the IDBS XLFit version 4.2.1 plug-in for Microsoft Excel and the XLFit 4 Parameter Logistic Model (Sigmoidal Dose-Response Model). 
2766	1	Enzyme Inhibition Assay	The inhibitory activity of the test compounds against human recombinant glycogen phosphorylase a (GPa) was monitored using 96-well microplate format. The glucose-1-phosphate production from glycogen monitored by a multienzyme coupled assay. The change in optical density due to inorganic phosphate formation was measured at 620nM in a Labsystems iEMS Reader MF. The IC50 values were estimated by fitting the inhibition data to a dose dependent curve using a logistic derivative equation.
2768	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. For the determination of the IC50 values (concentration of inhibitor required for 50% inhibition) different inhibitor concentrations were applied.
2772	1	Met Kinase Inhibition Assay	Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine the concentration required to inhibit 50% of substrate phosphorylation (IC50). 
2773	1	HTRF Kinase Inhibition Assay	In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For all assays, streptavidin-allophycocyanin and Eu-PT66 were added immediately before the HTRF reaction. Molecules were tested in a 10-point serial dilution using an ATP concentration of two thirds Km values that were determined for the enzymes and calculated using the Eadie-Hofstee and Lineweaver-Burke methods. The fluorescence ratios were read on a Rubystar instrument (BMG labtech Inc.). 
2774	1	HTRF Kinase Inhibition Assay	In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. Molecules were tested in a 10-point serial dilution using an ATP concentration of two thirds Km values that were determined for the enzymes and calculated using the Eadie-Hofstee and Lineweaver-Burke methods. The fluorescence ratios were read on a Rubystar instrument (BMG labtech Inc.). 
2775	1	In Vitro Kinase Assay	Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding polystyrene 96-well plates (Nunc Maxisorp). The recombinant enzymes were preincubated with inhibitor and Mg-ATP on ice in polypropylene 96-well plates for 4 min, and then transferred to the substrate coated plates. After the kinase reaction, phosphorylated product was detected by incubation with Europium-labeled anti-phosphotyrosine MoAb. The bound MoAb was detected by time-resolved fluorescence in a Gemini SpectraMax reader (Molecular Devices). Inhibitors were tested at seven different concentrations each in triplicate. IC50s were calculated in a four parameters equation curve plotting inhibition (%).
2777	1	SHP-2 Inhibition Assay	SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before addition of the substrate. The substrate, p-nitrophenyl phosphate, was used at concentrations of 2.5, 5, 10, 20, and 40 mM. Enzyme activity was estimated by measuring the absorbance at 405 nm with appropriate corrections for absorbance of the compounds.
2778	1	Phosphatase Activity Assay	PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test compounds. The fluorescence signal was measured at 355 nm (excitation) and 460 nm (emission) with plate reader. For IC50 determination, eight concentrations of compounds at 1/3 dilution (~0.5 log) were tested. Each experiment was performed in duplicate, and IC50 data were derived from at least 4 independent experiments. The curvefitting program Prism 4 (GraphPad Software) was used to calculate the IC50 value.
2781	1	Determination of 5-LO Product Formation in Intact Cells (EC50/IC50)	For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 min at RT, 5-LO product formation was started by addition of ionophore A23187 plus arachidonic acid. Formed 5-LO metabolites were extracted and analyzed by HPLC. 5-LO product formation is expressed as ng of 5-LO products per 1000,000 cells, which includes LTB4 and its all-trans isomers, and 5(S)-hydro(pero)xy-6-trans- 8,11,14-cis-eicosatetraenoic acid.
2781	2	Determination of 5-LO Product Formation in Cell-Free Systems (IC50). 	For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated with the test compounds before arachidonic acid was added to start 5-LO product formation. Formed 5-LO metabolites were extracted and analyzed by HPLC. 5-LO product includes LTB4 and its all-trans isomers, and 5(S)-hydro(pero)xy-6-trans- 8,11,14-cis-eicosatetraenoic acid. IC50s are expressed as mean +/- SE, obtained from measurements at 4-5 different concentrations of test compounds, and determined using Graphpad Instat (Graphpad Software Inc., San Diego, CA). EC50/IC50 values were obtained from product formation in PMNL intact cells.
2782	1	Fluorogenic Assay for Detection of FASTE Inhibition	The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was initiated by addition of substrate 4-MUH. The resulting fluorescence from liberated 4-methylumbelliferone was measured every 5 min at 350|450 nm for 40-60 min. 4-MUH incubated without enzyme served as a background control. Results are the average of triplicate data points.
2783	1	DNA Gyrase ATPase Assay	Enzymatic hydrolysis of ATP to ADP was coupled to the conversion of NADH to NAD+. The decrease in NADH absorbance was monitored at 340 nm for 20 min with a Molecular Devices plate reader. The rate of enzymatic hydrolysis was plotted against a serial dilution of inhibitor to determine potency, and the data were fitted to the Morrison equation for tight-binding inhibition. 
2786	1	HDAC Inhibition Assay	HDAC activity was measured using a continuous trypsin-coupled assay.  For inhibitor characterization, measurements were done using 96-well assay plates. Enzyme was mixed with inhibitor at various concentrations and allowed to incubate for 15 minutes. Trypsin was added to initiate the reaction. Reactions were monitored in a fluorescence plate reader. After a 30-minute lag time, the fluorescence was measured over a 30-minute time frame using an excitation wavelength of 355 nm and a detection wavelength of 460 nm. The increase in fluorescence with time was used as the measure of the reaction rate. Inhibition constants Ki(app) were obtained using the program BatchKi.
2787	1	HDAC Enzyme Inhibition Assay	The HDAC enzyme in vitro assay was based on a homogeneous fluorescence release assay. Purified recombinant HDAC enzymes were incubated with compounds diluted in various concentrations in assay buffer before fluorescent substrate was added. After incubation, additional trypsin incubation allowed the release of the fluorophore from the deacetylated substrate. The fluorescent signal was detected by fluorometer: 360 nm excitation, 470 nm emission, 435 nm cutoff. The IC50 values of the compounds were determined by analyzing dose-response inhibition curves from 6-21 independent experiments.
2788	1	CDK2/CyclinA Kinase Assay	CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. After the reaction, phosphorylated histone H1 was separated from excess ATP. Incorporated radioactivity was counted using Packard TopCount. IC50 values were determined using a sigmoidal dose response equation from Prism GraphPad Software.
2788	2	CDK5/p35 Assay	CDK5/p35 activity was determined in DELFIA format using a biotinylated Histone H1 peptide. The phosphorylated peptide was quantified using rabbit phospho-cdk1 substrate polyclonal antibody and DELFIA europium-labelled anti-rabbit IgG secondary antibody using time-resolved fluorescence (excitation@335nm, emission@620nm). IC50 values were calculated from replicate curves, using GraphPad Prism software.
2788	3	Aurora A Kinase Assay	Aurora A kinase activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into Kemptide. Incorporated radioactivity was counted using Packard TopCount. IC50 values were determined using a sigmoidal dose response equation from Prism GraphPad Software.
2790	1	Enzyme Inhibition Assay	The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tryptophan (L-Trp), and the inhibitor. After the reaction, the product N-formylkynurenine was converted to kynurenine.  The yellow color generated from reaction with kynurenine was measured at 490 nm using a microtiter plate reader. The data were analyzed using Graph Pad Prism 4 software (Graph Pad Software Inc.).
2790	2	Enzyme Inhibition and Ki Determination	The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tryptophan (L-Trp), and the inhibitor. After the reaction, the product N-formylkynurenine was converted to kynurenine.  The yellow color generated from reaction with kynurenine was measured at 490 nm using a microtiter plate reader. The data were analyzed using Graph Pad Prism 4 software (Graph Pad Software Inc.). For the Ki determinations, tryptophan concentrations were varied from 25 to 200 uM (Km= 42 uM) and inhibitor concentrations were varied between 3-fold above and below the calculated IC50. Data were analyzed with the Enzyme Kinetics module in SigmaPlot, version 10.
2792	1	AICAR Tfase Inhibition Assay	Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance corresponding to the formation of THF. The THF was generated in the transfer reaction of the formyl group from cofactor to AICAR to produce 5-formyl-AICAR. Double reciprocal plots were used to determine the Ki values.
2792	2	GAR Tfase Activity Assay	Assays were initiated by the addition of GAR to the reaction mixture containing GAR Tfase, test compounds, and cofactor. The assay monitors the deformylation of fDDF resulting from the transfer of the formyl group to GAR. Reaction rates were measured in triplicate using a Gilford 252 spectrophotometer. Double reciprocal plots were used to determine the Ki values.
2793	1	TrkB Enzyme Assay	TrkB kinase activity was measured against its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using homogeneous time-resolved fluorescence (HTRF) technology. Reaction products are detected with the addition of strepavidin-linked and phosphotyrosine-specific antibodies using the Tecan Ultra Evolution microplate fluorometer after additional 3 h incubation at room temperature.
2793	2	TrkA Enzyme Assay	TrkA kinase activity was determined by measuring the kinase ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using amplified luminescent proximity assay (Alphascreen) technology (Perkin-Elmer, 940 Winter Street, Waltham, MA). The reaction products were detected with the addition of streptavidin coated donor beads and phosphotyrosine-specific antibodies coated acceptor beads. Plates were read using the EnVision Multilabel plate reader after an overnight incubation at room temperature.
2794	1	Enzyme Inhibition Assay	Inhibition constants were calculated by assessment of the reduction in the formation of o-nitrophenol, as monitored by a spectrophotometric assay at 420 nm. The data was recorded at 15 s intervals for 5 min. All reactions were performed in duplicate, and at least 8 concentrations of inhibitor were used to determine Ki. Examination of curve fits to identify the best model for enzyme inhibition. Ki values were calculated from sigmoid curve fits using GraphPad Prism to be the best fit for the experimental data.
2794	2	Cholinesterase Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were obtained from replots of the slopes of reciprocal plots of initial velocity and substrate concentrations vs inhibitor concentration.
2795	1	Enzyme Inhibition Assay	Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and then blocked with I-block (Tropix) in PBS. After kinase reaction, product was detected by incubation with antiphosphohistone H3 (Ser10) 6G3 mouse monoclonal antibody and sheep-antimouse HRP conjugate, followed by washing and addition of TMB substrate. Plates were read at 450 nM.
2796	1	BoNT/A LC Metalloprotease Activity Assay	Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNAP-25. Substrate hydrolysis is determined by HPLC separation of the products from the substrate, followed by measurement of the peak areas. Percent inhibition measurements were performed in duplicate, and in all cases standard deviations were less than +/-25%. IC50 values for the inhibitors were calculated from plots of concentration versus inhibition using 7-9 concentrations of inhibitors.
2797	1	In Vitro Enzyme Inhibition	Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis was initiated by adding the substrate. Cleavage of the pNA chromophore from substrate produced a color change monitored at 405 nm. Optical density was measured every 30 s for 10 min by a Spectromax 250 reader, and Ki values were determined by Graphpad Prism. 
2798	1	HTRF Kinase Inhibition Assay	In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For all assays, streptavidin-allophycocyanin and Eu-PT66 were added immediately before the HTRF reaction. Molecules were tested in a 10-point serial dilution using an ATP concentration of two thirds Km values that were determined for the enzymes and calculated using the Eadie-Hofstee and Lineweaver-Burke methods. The fluorescence ratios were read on a Rubystar instrument (BMG labtech Inc.).
2799	1	HTRF Kinase Inhibition Assay	In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For all assays, streptavidin-allophycocyanin and Eu-PT66 were added immediately before the HTRF reaction. Molecules were tested in a 10-point serial dilution using an ATP concentration of two thirds Km values that were determined for the enzymes and calculated using the Eadie-Hofstee and Lineweaver-Burke methods. The fluorescence ratios were read on a Rubystar instrument (BMG labtech Inc.).
2801	1	Enzyme Inhibition Assay	The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tryptophan (L-Trp), and the inhibitor. After the reaction, the product N-formylkynurenine was converted to kynurenine.  The yellow color generated from reaction with kynurenine was measured at 490 nm using a microtiter plate reader. The data were analyzed using Graph Pad Prism 4 software (Graph Pad Software Inc.).
2803	1	Enzyme Inhibition Assay	The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tryptophan (L-Trp), and the inhibitor. After the reaction, the product N-formylkynurenine was converted to kynurenine.  The yellow color generated from reaction with kynurenine was measured at 490 nm using a microtiter plate reader. The data were analyzed using Graph Pad Prism 4 software (Graph Pad Software Inc.).
2804	1	Akt1 Kinase Assay	A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP beads are added and plates are read (lamp filter: 544 nm, emission filter: 615 nm). 
2805	1	Akt Inhibition Assay	Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was done by homogeneous time-resolved fluorescence (HTRF) using a europium-labeled Phospho (S21)-GSK3alpha antibody, and streptavidin-linked XL665 fluorophore which binds to the biotin moiety on the substrate peptide.
2807	1	Akt Inhibition Assay	Purified recombinant human Akt kinase was monitored for kinase activity in the presence or absence of inhibitors in a 96-well format. Detection was done by homogeneous time-resolved fluorescence (HTRF) using a europium-labeled Phospho (S21)-GSK3a antibody, and streptavidin-linked XL665 fluorophore which binds to the biotin moiety on the substrate peptide.
2808	1	TrkA Enzyme Assay	The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds are incubated for 30 min and the plates are washed. The amount of phosphorylated PGT is quantitated by incubation with HRP-conjugated PY-54 antibody, and developed with ABTS substrate.
2809	1	Plk in Vitro Assay	An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylation of a fluorophore tagged substrate peptide. Kinase activity was measured by change in fluorescence polarization units detected using an LJL Analyst (LJL Biosystems). IC50 values were calculated using a four parameter fit and GraphPad Prism software.
2810	1	Plx1 Kinase Inhibition Assay	Purified Plx1 was first incubated with different concentrations of LFM-A13. The substrate, GST-Cdc25 peptide (254-316) and [gamma-32P]ATP were added and the kinase reaction allowed to proceed for 15 min at room temperature. After incubation, incorporation of radioactivity to the substrate was further quantified.
2810	2	PLK3 Kinase Inhibition Assay	The mode of human PLK3 inhibition by LFM-A13 was examined in titration experiments using increasing concentrations of [gamma-32P]ATP and purified N-terminal His6-tagged recombinant human PLK3. The Ki of PLK3 by LFM-A13 was calculated from the reciprocal plots of the intensity of phosphorylation of the substrate versus the concentration of the inhibitor. From this Dixon plot, the Ki represents the dissociation constants of the EI complex, which is determined by the point of linear intersection.
2810	3	Kinase Selectivity Assay	The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay protocols from Upstate (Charlottesville, Virginia).
2811	1	Mixed-Lineage Kinase Assay	The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were generated for the compounds by plotting percent control activity versus log10 of the concentration of compound. The IC50 values were calculated by nonlinear regression using the sigmoidal dose-response (variable slope) equation in GraphPad Prism. IC50 values were reported as the average of duplicates that agree within 20%.
2811	3	VEGF-R2 Receptor-Linked Tyrosine Kinase Assay	Compounds were evaluated for their ability to inhibit the kinase activity using an ELISA-based assay. The 96-well microtiter plate is coated with substrate solution. The reaction is initiated by adding recombinant human VEGF-R2 to reaction mixture containing inhibitor compound. After the incubation, the detection antibody, Eu-N1 antiphosphotyrosine (PT66) antibody, was added, and the fluorescence of the resulting solution was measured using the Victor Multilabel Counter. 
2813	1	Enzyme Inhibition Assay	Progress curves were obtained by initiation of urease reaction with addition of purified enzyme into assay mixtures containing increasing concentrations of inhibitors and urea, which are in the range of 2 to 100 mM. Each assay was run in triplicate. Ki values were dertermined from Lineweaver-Burk plots after testing at least 5 inhibitor concentrations. IC50 values were obtained from measurements performed in the presence of saturating urea concentration 100 mM.
2814	1	Fluorogenic Assay for Detection of FASTE Inhibition	The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was initiated by addition of substrate 4-MUH. The resulting fluorescence from liberated 4-methylumbelliferone was measured every 5 min at 350|450 nm for 40-60 min. 4-MUH incubated without enzyme served as a background control. Results are the average of triplicate data points.
2815	1	Fluorogenic Assay for Detection of FASTE Inhibition	The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was initiated by addition of substrate 4-MUH. The resulting fluorescence from liberated 4-methylumbelliferone was measured every 5 min to generate concentration-response curves from which IC50 values were determined. The inhibition constants (Ki) were calculated using the equation of Cheng and Prusoff.
2816	1	In Vitro Kinase Inhibition Assay	IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled ATP to the peptide substrate. Use of radiolabeled ATP allows this transfer to be monitored by scintillation counting. 
2820	1	Kinase Inhibition Assay	IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labeled ATP to a protein or peptide substrate. Use of 33P-labeled ATP allows this transfer to be monitored by scintillation counting or by autoradiography of the substrate.
2822	1	Scintillation Proximity Assay	Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay mixture to initiate the kinase reaction. After incubation, the mixture was centrifuged and read using a Wallac Microbeta counter (Perkin-Elmer). The reported IC50 values are means of at least 2 independent experiments and are calculated using a sigmoidal, dose-response curve fit of  4 parameter logistic model using MDL Assay Explorer.
2822	2	mTOR Assay	Mammalian target of rapamycin (mTOR) was assayed by monitoring phosphorylation of GFP-4EBP using a homogeneous time-resolved fluorescence resonance energy transfer format. The mTOR-mediated phosphorylation was measured under initial rate conditions. After incubation, the phosphorylated substrate was detected with Tb-anti-p4E-BP1 antibody before reading on a Perkin-Elmer EnVision Fluorescence Reader (exc 340; em 495/520). Duplicate dose-response curves were fit to an equation of competitive tight-binding inhibition.
2823	1	Scintillation Proximity Assay	The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. After allowing the reaction to proceed at room temperature for 120 min, wheat germ agglutinin-coated SPA beads (Amersham) was added. The mixture was left to stand for 5 min and then centrifuged. Radioactivity was measured using TopCount (Packard). IC50 values represent means of at least two separate determinations with typical variations of less than +/- 20%.
2824	1	Scintillation Proximity Assay	The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. After allowing the reaction to proceed at room temperature for 120 min, wheat germ agglutinin-coated SPA beads (Amersham) was added. The mixture was left to stand for 5 min and then centrifuged. Radioactivity was measured using TopCount (Packard). IC50 values represent means of at least two separate determinations with typical variations of less than +/- 20%.
2825	1	PI3Kgamma Inhibition Assay	PI3Kgamma activity was assessed by incubation of baculoviral co-expressed regulatory and catalytic subunits (p101 and p110) with lipid micelles prepared from phosphatidylethanolamine containing phosphatidylinositol 4,5 bisphosphate (PIP2) at a molar ratio of 8:1. Recombinant G-protein beta gamma-subunits were used to activate the enzyme complex. The formation of 32P-PIP3 on the filters was then monitored by scintillation counting. IC50 values were determined by incubation of the compound at various concentrations (typically a 10 point half-log dose distribution) and curve fitting by using GraphPad Prism. 
2826	1	Determination of PI3K Activity	The luminescence-based kinase assay with recombinant phosphatidylinositol 3-kinase (Upstate Cell Signaling Solutions) was used for the determination of IC50 values. Luminosity was measured using an Ultra 384 instrument (Teca). IC50 values were calculated from the luminescence-concentration curves using the nonlinear curve fitting capabilities of Prism (Version4, GraphPad software).
2827	1	Determination of PI3K Activity	The luminescence-based kinase assay with recombinant phosphatidylinositol 3-kinase (Upstate Cell Signaling Solutions) was used for the determination of IC50 values. Luminosity was measured using an Ultra 384 instrument (Teca). IC50 values were calculated from the luminescence-concentration curves using the nonlinear curve fitting capabilities of Prism (Version4, GraphPad software).
2829	1	PLK Kinase Assay	Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After reaction, mixture was transferred to 384-well streptavidin-coated plates. Incorporated radioactivity was counted on a TopCount scintillation plate reader. IC50 values were determined using an 11-point, 3-fold dilution series. To normalize affinity data, IC50 values were converted to apparent Ki assuming a Cheng-Prusoff relationship.
2832	1	Inhibition of PTP Activity	The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescence signal was measured at 360 nm (excitation) and 460 nm (emission) with plate reader. The curvefitting program Prism 4 (GraphPad Software) was used to calculate the IC50 value.
2833	1	Enzyme Inhibition Assay	The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluorometer. Data represent means of two experiments performed in duplicate, individual data points in each experiment were within a 3-fold range of each other.
2835	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 460 nm.
2837	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 460 nm.
2839	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 460 nm.
2845	1	RET Kinase Inhibition Assay	The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in cubation, the reaction was stopped and the phosphorylated substrate was spotted onto phosphocellulose paper, and filter- bound radioactivity was quantified by scintillation counter.
2846	1	In Vitro EphB4 Enzyme Inhibition Assay	This assay detects inhibitors of EphB4-mediated phosphorylation of a polypeptide substrate using Alphascreen luminescence detection technology. The recombinant EphB4 was incubated with biotin-poly-GAT in presence of magnesium- ATP. The reaction was stopped by addition of EDTA, together with streptavidin-coated donor beads which bind the biotin-substrate containing any phosphorylated tyrosine residues. Anti-phosphotyrosine antibodies present on acceptor beads bind to phosphorylated substrate, thus bringing the donor and acceptor beads into close proximity. Subsequent excitation of the donor beads at 680nm generated singlet oxygen species that interact with a chemiluminescer on the acceptor beads, leading to light emission at 520-620nm. The signal intensity is directly proportional to the level of substrate phosphorylation and thus inhibition is measured by a decrease in signal. The resulting assay signal was determined on the Perkin Elmer EnVision plate reader. The minimum value was subtracted from all values, and the signal plotted against compound concentration to generate IC50 data.
2847	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Affinity purified recombinant HDAC1 enzyme was incubated with acetylated histone H4 peptide in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 465 nm.
2848	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Affinity purified recombinant HDAC1 enzyme was incubated with acetylated histone H4 peptide in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 465 nm.
2849	1	GGPP Synthase Inhibition Assay	The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To confirm the formation of radioactive products, one-dimensional thin-layer chromatography (TLC), with autoradiographic detection of [14C]FPP/[14C]GGPP, was used. The inhibitor concentrations required for 50% enzyme inhibition (the IC50 values) were obtained from a graphical fit of the data using a rectangular hyperbolic function.
2852	1	Enzyme Inhibition Assay	Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by adding the substrate PRPP to reaction mixtures containing HisG enzyme and test compounds, and absorbance of product was monitored at 290 nm for 5 min until it formed a plateau. 
6501	1	Radioligand Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a final volume of 500uL binding buffer (10mM MgCl2, 1mM EDTA, 5% DMSO, 50mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500uL ice-cold binding buffer. Filter plates were subsequently dried at 50C for 2-3 hours. Fifty uL/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well.
2853	1	Microtiter Plate Assay for Strand Transfer	The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime end of each DNA strand. Integrase was first assembled with immobilized LTR oligonucleotides for 30 min. Inhibitors were added after assembly and washings. For the strand transfer reaction, it was initiated with the addition of the biotinylated target substrate. Strand transfer reaction mixtures were incubated for additional 30 min, and the strand transfer products were detected by using alkaline phosphatase-conjugated avidin (Boehringer Mannheim, Indianapolis, Ind.). IC50 is the concentration of inhibitor that reduces HIV integrase activity by 50%.
2854	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).In the assessment of BACE-1 inhibitors, the percentage of remaining enzyme activity in titrations was calculated based on the area of the product peak compared with the sum of the areas of product and substrate peaks. All titration curves were fitted with a four-parameter logistic equation to determine the IC50 values of the compounds, and all results were derived from at least three independent measurements.
2855	1	Protease Inhibition Assay	The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
2856	1	In Vitro BRAF Kinase Assay	BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve fitting by GraphPad Prism 4.0. Ki was calculated from the Cheng-Prusoff equation. 
2857	1	beta2 Adrenergic Receptor Binding Assay	The displacement of [125I]-(-)iodopindolol binding from the beta2AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined in parallel assays that contained 1 uM alprenolol. The radioactivity was determined in a gamma counter. All assays were performed in triplicate. The concentration of compounds that inhibited radioligand binding by 50% (IC50) was obtained by nonlinear regression analysis using GraphPad Prism. The dissociation constant (Ki) was obtained from IC50 value by using the conversion described by Cheng and Prusoff.
2857	2	Adenosine A1 Receptor Binding Assay	The displacement of [3H]DPCPX binding from the A1AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined in parallel assays that contained 1 uM alprenolol. The radioactivity was determined in a gamma counter. All assays were performed in triplicate. The concentration of compounds that inhibited radioligand binding by 50% (IC50) was obtained by nonlinear regression analysis using GraphPad Prism. The dissociation constant (Ki) was obtained from IC50 value by using the conversion described by Cheng and Prusoff.
2858	1	PfENR Enzymatic Inhibition Assay	PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 was determined from a dose-response plot of enzyme fractional activity as a function of inhibitor concentration.
2859	1	Androgen Receptor Binding Assay	The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing concentrations of test compound and a fixed concentration of 3H-dihydrotestosterone (3H-DHT) as tracer. AR bound 3H-DHT levels are determined in the presence of compounds and compared to levels of receptor specific binding when no competitor is present. Compound binding affinity to the human AR is expressed as the concentration of compound at which 50% of the maximum specific binding is inhibited (IC50).
2860	1	CYP17 Inhibition Assay	The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the byproduct 16 alpha-hydroxyprogesterone. Products were analyzed by HPLC. Peak areas were determined by integration of the resulting chromatograms. Substrate conversion was determined by product versus substrate peak areas. The inhibitory potencies were calculated using the diminished substrate conversion caused by the inhibitors.
2860	2	CYP11B1 Inhibition Assay	The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The product formation was monitored by HPTLC using a phosphoimager system.
2863	1	Determination of Dissociation Constant (Kd)	Values of Ki   were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibition constant is equal to the dissociation constant (Ki = Kd). A range of inhibitor concentrations was employed from at least 5-fold below to 10-fold above the inhibition constant. Nonlinear least-squares fits of the equation for competitive inhibition gave excellent fits in all cases, and the standard error was typically less than 15%.
2864	1	ROCK-II Inhibition Assay	Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was initiated by addition of ROCK II. After 4 h at RT the reaction was stopped by addition antibody and Sa-XL in detection buffer. After 1 h at RT the plates were read on the Viewlux in HTRF mode.
2864	2	PKA Inhibition Assay	Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started by addition of PKA. After 70 min at RT the reaction was stopped by addition of Kinase-Glo reagent and plate was read after 10 min incubation time at RT on the Viewlux in luminescence mode.
2864	3	MRCK Inhibition Assay	The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started by addition of MRCK. After 75 min at RT the reaction was stopped by addition of  Kinase-Glo reagent and plate was read after 10 min incubation time at RT on the Viewlux in luminescence mode.
2864	4	AKT1 Inhibition Assay	The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started by addition of AKT1. After 55 min at RT the reaction was stopped by addition with a mixture of SreptavidinXL665 (Cisbio) and Eu3+ Cryptate labeled phospho S6 peptide antibody in quenching buffer. After 1 h incubation at RT the plate was measured on the Viewlux in HTRF mode.
2865	1	ROCK Kinase Inhibition Assay	The assay of Rock-1 activity involved incubation with peptide substrate and ATP33, and the incorporation of P33 into the peptide was quantified by Scintillation Proximity Assay (SPA - Amersham Pharmacia). For IC50 determination, compounds were assayed over an eleven point dilution range with a concentration in the assay of 50 uM to 0.8 nM. IC50 values were calculated by bespoke curve fitting software. 
2866	1	Plk in Vitro Assay	An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylation of a fluorophore tagged substrate peptide. Kinase activity was measured by change in fluorescence polarization units detected using an LJL Analyst (LJL Biosystems). IC50 values were calculated using a four parameter fit and GraphPad Prism software.
2868	1	Fluorescence Polarization Assay	In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex is then titrated with the test compounds, and the displacement of the Bak-BH3 peptide is measured as a function of decreasing polarized fluorescence. The fluorescence polarization values were determined using a Tecan GeniosPro plate reader using the excitation/emission wavelengths 485/535 nm. The binding affinities are reported as the inhibitory concentration of the titrant required to displace 50% of the Bak-BH3 peptide (IC50).
2869	1	PKC theta IMAP Kinase Assay	All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well plate (Corning Costar 3710). The fluorescence polarization was measured on an Envision 2100 (PerkinElmer Life Sciences).
2870	1	In Vitro BRAF Kinase Assay	BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves.  
2872	1	In Vitro BRAF Kinase Assay	The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s AlphaScreen technology.
2872	2	Z-LYTE Enzymatic Kinase Assay	Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.
2874	1	B-Raf Activity Assay	Activity of human recombinant B-Raf protein was assessed in vitro by assay of the incorporation of radiolabeled phosphate to recombinant MAP kinase (MEK). To ensure that all substrate phosphorylation resulted from B-Raf activity, a catalytically inactive form of MEK was utilized.  The assay was initiated by the addition of ATP. Following the incubation, the assay mixtures were quenched, and the product was captured on a Perkin-Elmer GF/B filter plate using a Tomtec Mach III Harvester. The incorporated radioactivity was counted in a Topcount NXT (Packard)
2876	1	Aurora Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with Aurora A  and substrates in the presence ATP/[gamma-33P] ATP. After incubation, the reaction was stopped and the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads (Amersham Pharmacia Biotech), counted using TopCount (Packard) to measure substrate-incorporated phosphate.
2876	2	Z-LYTE Enzymatic Kinase Assay	Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format  (Invitrogen Corp., Carlsbad, CA) in the SelectScreen Kinase Profiling Service (Invitrogen Discovery Sciences, Madison, WI).
2879	1	Mtb EHB Inhibition Assay	Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax M2 microplate reader (Molecular Devices, Sunnyvale, CA). Assays were performed in triplicate. IC50 values were determined by regression of at least five datum points, with a minimum of two datum points in the linear region of the curve on either side of the IC50 values.
2880	1	3H-CGP 12177 Whole Cell Binding Assay	The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined in the presence of 100 nM CGP 20712A for the beta1-adrenoceptor, 100 nM ICI 118551 for the beta2-adrenoceptor, and 100 uM CGP 12177 for the beta3-adrenoceptor. Increasing concentrations of the competing ligand were used until the specific binding of 3H-CGP 12177 was completely inhibited. IC50 was determined as the concentration required to inhibit 50% of the specific binding. From the IC50 value and the known concentration of radioligand 3H-CGP 12177, a Kd (concentration at which half the receptors are bound by the competing ligand) value was calculated using a equation.
2883	1	InhA Enzyme Inhibition Assay	The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. The absorbance OD readings were taken on a Molecular Device SPECTRAmax PLUS 384 microreader. The IC50 values were determined using at least eight concentrations, with each concentration assayed in triplicate under saturating substrate conditions. The values were calculated from plots of enzyme activity versus the log of the inhibitor concentration using the GraFit IC50 four-parameter fit software.
2885	1	Ligand Binding Assay	The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 nm). The concentration dependence of the changes allows the binding affinities of the ligands to be estimated. Titration data were linearized by plotting S0/deltaA against S0, where S0 is the total concentration of a ligand and deltaA is the change in absorption. The equilibrium dissociation constant (Kd) was extrapolated from the intercept of the linear plot with the S0 axis.
2886	1	DHFR Inhibition Assay	Enzyme activity assays were performed by monitoring the change in UV absorbance at 340 nm. Enzyme assays were performed at least four times. IC50 values and their standard deviations were calculated in the presence of varying ligand concentration.
2887	1	Inhibition of 17beta-HSD1	Tritiated E1 was incubated with 17beta-HSD1, cofactor, and inhibitor. The amount of labeled E2 formed was quantified by HPLC. Detection and quantification of the steroids were performed using a radioflow detector (Berthold Technologies, Bad Wildbad). The conversion rate was calculated: %conversion = (%E2/ (%E2 +%E1) x 100). Each value was calculated from at least three independent experiments.
2887	2	Inhibition of 17beta-HSD2	Tritiated E2 was incubated with 17beta-HSD2, cofactor, and inhibitor. The amount of labeled E1 formed was quantified by HPLC. Detection and quantification of the steroids were performed using a radioflow detector (Berthold Technologies, Bad Wildbad). The conversion rate was calculated: %conversion = (%E1/ (%E2 +%E1) x 100). Each value was calculated from at least three independent experiments.
2889	1	SERT In Vitro Binding Assay	Ligand binding experiments were conducted in assay tubes containing radioligand, membrane tissue, and test compounds. Incubations were terminated by filtration with through GF/B filters. Radioactivity was measured in WALLAC 1409 DSA liquid scintillation counter. Radioligand-binding data were analyzed using iterative curve fitting routines (GraphPAD/Prism, version 3.0-San Diego, CA, USA).
2890	1	Radioligand Binding Assay	The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried out in 96-well plates and incubation time started by the addition of cell membranes. Following incubation, assays were terminated by filtration through GF/B filters. Radioactivity was counted using a liquid scintillation counter. The percentage inhibition of [3H]flunitrazepam binding, the IC50 and the Ki values were calculated using the Activity Base Software Package (ID Business Solutions, Guildford, UK) according to the Cheng-Prusoff equation.
2892	1	BODIPY Fluorescent Microplate Assay	Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of the reaction was followed for 10 min in a (BMG) Fluorostar with excitation at 485 nm and emission at 530 nm. The percentage inhibition was determined as 100 times the activity with inhibitor present divided by the activity of the control assay. The reported IC50 values are the average of triplicate determinations.
2893	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
2895	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
2899	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
2906	1	IKK Inhibition Assay	Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a PhosphorImager, and the radioactivity was quantified using ImageQuant software.
2907	1	IKK Inhibition Assay	Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a PhosphorImager, and the radioactivity was quantified using ImageQuant software.
2911	1	Fluorescence Polarization Assay	Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved in a buffer. Thirty microliters of this mixture were added to wells containing test compound and incubated for 30-60 min at room temperature. Fluorescence anisotropy was read in a Molecular Devices Acquest (excitation 485 nm/emission 535 nm). All values quoted are means of IC50 results. Ki values were calculated from IC50s using a modified Cheng-Prusoff equation.
2911	2	Time Resolved Fluorescence Resonance Energy Transfer  Assay	Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured using a Packard Discovery plate reader as a ratio of specific 665 nm energy transfer signal to reference Eu 620 nm signal. All values quoted are means of IC50 results. Ki values were calculated from IC50s using Cheng-Prusoff equation.
2912	1	Fluorescence Polarization Assay	Fluorescence polarization assays used GST-tagged enzyme and an ATP-competitive Rhodamine-green labelled fluoroligand. These components were dissolved in a buffer. Thirty microliters of this mixture were added to wells containing test compound and incubated for 30-60 min at room temperature. Fluorescence anisotropy was read in a Molecular Devices Acquest (excitation 485 nm/emission 535 nm). All values quoted are means of IC50 results. Ki values were calculated from IC50s using a modified Cheng-Prusoff equation.
2913	1	RAF Kinase Inhibition Assay	To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated plates was developed. Signal detection is by Time Resolved Flouresence utilizing a Europium labeled goat anti-rabbit secondary antibody, subsequently followed by fluoremetry with the Victor reader (Wallac-PerkinElmer).
2916	1	Fluorescence Anisoptrophy Kinase Binding Assay	The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under conditions such that in the absence of test compound the fluorescent ligand is significantly (>50%) enzyme bound and in the presence of a sufficient concentration (>10.times.Ki) of a potent inhibitor the anisotropy of the unbound fluorescent ligand is measurably different from the bound value. Fluorescence anisotropy read in an LJL Acquest fluorescence reader.
2917	1	DELFIA Assay (Dissociation Enhanced Lanthanide Fluoro-Immuno Assay)	Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby a biotin-linked pepJIP1 is adsorbed onto a streptavidin-coated plate followed by incubation with GST-JNK1. Subsequently, fluorescence was measured (excitation wavelength, 340 nm; emission wavelength, 615 nm). Controls include unlabeled peptide and blanks receiving no compounds.
2917	2	In Vitro Kinase Assay (LanthaScreen Kinase Assay)	Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) based LanthaScreen kinase assay (Invitrogen). The signal was measured at 520/495 nm emission ratio on a BMG Pherastar fluorescence plate reader.
2919	1	LXR Binding Assay and hLXR Reporter Assay	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates. Huh-7 human hepatoma cell based Gal4 transactivation assays were used to assess the agonist potency and efficacy. EC50 values were determined from dose response curves represented measurement at 12 concentrations, each concentration was measured in quadruplicates. Efficacy was measured relative to T0901317.
2921	1	IKK Inhibition Assay	The inhibitory effect of test compounds on kinase activity was measured using a biotinylated I-Kappa-B-alpha peptide and increasing doses of inhibitors (7 point IC50 curves). The incorporation of [gamma-33P] ATP was measured using a Top count NXT (Packard Instrument Co).
2922	1	Determination of Inhibitor Ki	The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for determination of Ki values. For Ki determination, the kinetic values were obtained directly from nonlinear regression of substrate-velocity curves in the presence of various concentrations of inhibitor. Each inhibitor Ki value was determined using at least 6 independent measurements and at least two enzyme concentrations (final concentration of enzyme: 25 nM and 12.5 nM). 
2923	1	Fluorescence Binding Assay	The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluorometer. The excitation and emission wavelengths were 284 nm and 341 nm, respectively. The inhibitor solution was titrated into EGFR kinase solution, and the emission fluorescence intensity was read after addition of inhibitor, and the average of five measurements was recorded. A blank assay was performed in exactly the same manner except that the buffer without inhibitor was used for the titration. Dissociation constants (Kd) were determined by nonlinear fitting of the fluorescence data using a modified static quenching model. 
2924	1	Fluorescence Binding Assay	The fluorescence buffer was degassed and aerated with pure nitrogen gas to remove dissolved oxygen. The assay was carried out on a FluoroMax-2 fluorometer. The excitation and emission wavelengths were 284 nm and 341 nm, respectively. The inhibitor solution was titrated into EGFR kinase solution, and the emission fluorescence intensity was read after addition of inhibitor, and the average of five measurements was recorded. A blank assay was performed in exactly the same manner except that the buffer without inhibitor was used for the titration. Dissociation constants (Kd) were determined by nonlinear fitting of the fluorescence data using a modified static quenching model. 
2925	1	FDH Coupled Inhibition Assay	A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethylation of the histone peptide substrate was monitored by its oxidation to give formate as catalyzed by FDH, which is carried out concomitantly with the reduction of NAD+. The production of NADH was monitored by fluorescence spectroscopy.
2925	2	MALDI-TOF-MS Inhibition Assay	For compounds which were shown to inhibit FDH, a MALDI-TOF-MS inhibition assay was employed. After incubation, the diluted assay mixture was then mixed, and spotted onto the MALDI-TOF-MS plate before analysis. 
2926	1	FAAH Inhibition Assay	[3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase after extraction of the incubation mixture. Data are expressed as the concentration exerting a half maximal inhibition (IC50).
2928	1	Time Resolved Fluorescence Resonance Energy Transfer  Assay	Lck activity was assessed using a TR-FRET assay in a 384-well plate format. The degree of phosphorylation of Biotinylated substrate was measured using a Packard Discovery plate reader as a ratio of specific 665 nm energy transfer signal to reference Eu 620 nm signal. All values quoted are means of IC50 results. 
2930	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
2935	1	JAK3 Inhibition Assay	An ELISA assay was used to determine the ability of inhibitor to inhibit JAK3 RTK activity. The compounds were incubated with enzyme, 10 uM ATP, and biotinylated peptide substrate. Phosphorylated tyrosine was then detected by sequential incubation with anti-phosphotyrosine antibody. 
2937	1	Fluorescence Polarization Assay	Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibrium binding curves were drawn by plotting polarization units as a function of recombinant XIAP concentration. All experiments were performed in black, flat-bottomed, 96-well microplates. The Smac mimetics were evaluated for their ability to displace the fluorescent probe from recombinant protein. The Ki values were derived from IC50s according to Cheng-Prusoff equation.
2938	1	Fluorescence Polarization Assay	Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibrium binding curves were drawn by plotting polarization units as a function of recombinant protein concentration. The Smac mimetics were evaluated for their ability to displace the fluorescent probe from the protein. The Ki values were derived from IC50s according to Cheng-Prusoff equation.
2939	1	Fluorescence Polarization Assay	Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibrium binding curves were drawn by plotting polarization units as a function of recombinant XIAP concentration. The Smac mimetics were evaluated for their ability to displace the fluorescent probe from recombinant protein. The Ki values were derived from IC50s according to Cheng-Prusoff equation.
2940	1	Radioligand Binding Assay	Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reactions were terminated by filtration. Bound radiolabel was determined by liquid scintillation counting. For all of the radioligand competition binding assays, IC50 values and Hill slopes were determined by Hill transformation of the data and Ki values were determined by the Cheng-Prusoff equation.
2941	1	Radioligand Binding Assay	Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reactions were terminated by filtration. Bound radiolabel was determined by liquid scintillation counting. For all of the radioligand competition binding assays, IC50 values and Hill slopes were determined by Hill transformation of the data and Ki values were determined by the Cheng-Prusoff equation.
2942	1	Receptor Binding Assay	The membranes prepared from HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in the presence of excess of DPCPX or CGS15943 for the A1 and A2A membranes, respectively. Bound and free ligands were separated by rapid vacuum filtration, and the bound radioligand was determined by scintillation counting. Binding data were analyzed by nonlinear least-squares curve-fitting algorithms using GraphPad Prism. Ki values were calculated from IC50 values using the Cheng-Prusoff equation.
2944	1	Competitive Radioligand Displacement Assay	The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (1 nM ) and Kd is the dissociation constant of the [3H]MIB determined in the saturation analysis, IC50 is determined by computer fitting data for the competitive binding of each AR ligand.
2945	1	Radioligand Binding Assay	Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different concentrations of unlabeled ligand. Data were fit by nonlinear regression to a one-site competition curve.  IC50 is the concentration of unlabeled ligand that inhibits 50% of [3H]ligand binding (Prism, GraphPad Software). Equilibrium dissociation constant values for the unlabeled ligand (Ki) were calculated using the Cheng-Prusoff-Chou equation.
2949	1	Assay of Enzyme Activity	The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the fluorescence due to the high concentration of inhibitor interfered with the fluorometric assay, the enzyme activity was determined by measuring the rate of change in NADPH absorbance at 340 nm. The inhibitor constant, Ki, was determined from a Lineweaver-Burk plot using five concentrations of substrate, and is expressed as the mean +/- standard error of at least three determinations.
2950	1	Aurora B Kinase Inhibition Assay	In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence of  15 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Beta Counter. IC50 values were calculated using ORIGIN Scientific Graphing Analyses.
2950	2	Aurora A Kinase Inhibition Assay	In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Beta Counter. IC50 values were calculated using ORIGIN Scientific Graphing Analyses.
2953	1	Aurora B Kinase Inhibition Assay	In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence of  15 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Beta Counter. IC50 values were calculated using ORIGIN Scientific Graphing Analyses.
2953	2	Aurora A Kinase Inhibition Assay	In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the presence of 7.5 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a Beta Counter. IC50 values were calculated using ORIGIN Scientific Graphing Analyses.
2954	1	Aurora Kinase Assay	Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. To detect phosphorylated PKAtide, the kinase reaction was combined with Progressive Binding Solution (Molecular Devices). The mixture was incubated, and then the plate was scanned on an Analyst AD with excitation at 485 nm and emission at 530 nm. Relative enzymatic activity values were plotted as a function of the logarithm of compound concentration and IC50 values were generated in GraphPad Prism software using a sigmoidal dose-response curve-fit.
2956	1	Receptor Binding Assay	Nonspecific binding was determined in the presence of 1 uM Bv8. Displacement curves were determined in triplicate. The inhibition constant (Ki) of the three compounds was calculated from IC50, Kd values of labelled MIT for PKR1 and PKR2 being 4 pM and 1.24 pM (PerkinElmer, Membrane Target Systems). 
2957	1	Receptor Binding Assay	Membranes were incubated with [125I] kisspeptin-15 and increasing concentrations of test compound in binding buffer. The reaction mixtures were diluted and filtered through GF/F filters. The filters were washed and subjected to gamma-counting. IC50 values indicate the concentration needed for 50% inhibition of receptor binding of [125I]kisspeptin-15.
2958	1	Enzyme Inhibition Assay	Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence of inhibitor was expressed as fraction of a DMSO control and curve fit to the equation: activity= control activity / (1 + [I]/ IC50) using Excel Fit. The IC50 value is that concentration causing half maximal inhibition. 
2959	1	HTRF Kinase Inhibition Assay	The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-allophycocyanin and a specific antiphosphotyrosine (or antiphosphothreonine) antibody coupled to Eu3+ cryptate. With their binding to the phosphorylated substrate the two fluorophors come into close proximity, allowing the fluorescence resonance energy transfer to occur. The proportion of substrate phosphorylated in the kinase reactions in the presence of compound compared with that phosphorylated in the presence of DMSO vehicle alone (HI control) was calculated, and the data was fitted using a Levenburg-Marquardt nonlinear regression algorithm.
2964	1	Radioligand Binding Assay	Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reactions were terminated by filtration. Bound radiolabel was determined by liquid scintillation counting. For all of the radioligand competition binding assays, IC50 values and Hill slopes were determined by Hill transformation of the data and Ki values were determined by the Cheng-Prusoff equation.
2965	1	Intracellular ZAP-70 Kinase Inhibition Assay	A coupled spectrophotometric assay was used wherein ADP generated by ZAP-70 kinase was converted to ATP by pyruvate kinase (PK), with concomitant production of pyruvate from phosphoenolpyruvate (PEP). LDH reduces pyruvate to lactate by oxidizing NADH. NADH depletion was monitored at 340 nm using a microplate reader (Spectra Max 250, Molecular Device).
2967	1	MurD Inhibition Assay	The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA.  The radioactive substrate and product were separated by reverse-phase HPLC. The compounds were detected and quantified with an LB 506 C-1 HPLC radioactivity monitor using a scintillator. The residual activities for each of the inhibitor concentrations were calculated with respect to a similar assay without inhibitor. The values are expressed as the mean of two independent experiments, and standard deviations were within +/-10% of the mean values. The IC50 values were calculated from the fitted regression equation using the logit-log plot.
2969	1	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled antiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. The IC50 values for inhibitors were determined by a four-parameter sigmoidal curve fit.
2969	2	P450 Inhibition Assay	A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and the substrate. Following preincubation, NADPH generating system (glucose-6-phosphate, NADP, and glucose 6-phosphate dehydrogenase) was added to each well to start the reaction. Production of fluorescent metabolite was measured using Cytofluor (Perkin-Elmer, US) plate reader. The rate of metabolite production (AFU/min) was determined for each concentration of compound and converted to a percentage of the mean control rates using Cytofluor software. The inhibitory potential (IC50) of each compound was determined from the slope of the plot using GraFit v5.08 (Erithacus software, UK). Miconazole was included as a positive control for each isozyme.
2971	1	In Vitro BACE1 Activity Assay	The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution was filtered, and the filtrate was subjected to HPLC analysis. The substrate and product were monitored by fluorescence detection (340nm excitation, 440 nm emission).In the assessment of BACE-1 inhibitors, the percentage of remaining enzyme activity in titrations was calculated based on the area of the product peak compared with the sum of the areas of product and substrate peaks. All titration curves were fitted with a four-parameter logistic equation to determine the IC50 values of the compounds, and all results were derived from at least three independent measurements.
2972	1	Enzyme Inhibition Assay	Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in each assay. Quantification of substrate cleavage was assessed using an LJL analyst spectrophotometer (485nm excitation, 535nm emission).
2974	1	Enzymatic Activity Assay	Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service (Invitrogen Corporation, Carlsbad, CA, USA).
2975	1	Enzyme Inhibition Assay	Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes. All enzyme assays were performed with a single, limiting concentration of enzyme and saturating concentrations of NADPH and dihydrofolate. IC50 values were calculated as the average of three independent experiments.
2977	1	TACE Inhibition Assay	Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally quenched peptide substrate. The reaction was started by the addition of the substrate. The fluorescent intensity (excitation at 320 nm, emission at 405 nm) was measured every 45 s for 30 min using a fluorospectrometer (GEMINI XS, Molecular Devices). Values of Ki were calculated by the PRISM program based on one-site competitive inhibition mode. Each Ki value was an average of three determinations, and the standard errors for all Ki determinations were less than 10%.
2978	1	TACE Inhibition Assay	The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate peptide liberates the fluoropore from the proximity of the adjacent quenching moiety, and an increase in fluorescence signal results. 
2978	2	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2979	1	TACE Inhibition Assay	The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate peptide liberates the fluoropore from the proximity of the adjacent quenching moiety, and an increase in fluorescence signal results. 
2979	2	MMP Inhibition Assay	A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by energy transfer to a 2,4-dinitrophenyl group. When the peptide was cleaved by MMPs, an increase in fluorescence was observed. The enzymatic reactions were initiated by adding the substrate, and the initial rate of the cleavage reaction was determined immediately after substrate addition. For most MMP assays in this study, the IC50 value is approximately 2-fold of the Ki value.
2980	1	Enzyme Inhibition Assay	The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed in a CytoFluor multiwell plate reader, series 4000. Cleavage of internal quenched substrate liberates emission-active Mca product, causing an increase in fluorescence emission at 395 nM (the excitation wavelength is 330 nM). The rate of emission change is proportional to enzyme activity. Initial velocities, in the presence or absence of inhibitor, were measured as slopes of the linear portion of the product progress curves. Apparent Ki values were determined by plotting the inhibitor concentration dependence of the fractional velocity for each enzyme, and fitting the data by a tight binding inhibition equation.
2983	1	APE1 Inhibition Assay	To determine the extent of abasic residue cleavage by APE1, recombinant APE1 was preincubated with the potential inhibitors in reaction buffer. Then, the 5-end 32P-labeled oligonucleotide substrate was added. The conversion of incision product was quantitated using PhosphorImager / ImageQuant 5.2 system. The IC50 values were determined by plotting the logarithm of drug concentration against percent inhibition of enzymatic activity. The optimum concentration of APE1 protein in the assay is the concentration at which there is complete conversion of the abasic-site containing oligonucleotide substrate to its cleaved product without subsequent exonuclease activity. 
2985	1	High-Throughput Screening and IC50 Determinations	The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each well. The reaction was initiated through the addition of substrate. After incubation, the final fluorescence was measured using a FLUOstar Optima plate reader (BMG Labtech GmbH, Offenburg, Germany) at excitation and emission wavelengths of 485 and 520 nm, respectively. IC50 analyses were carried out on the best hits by first plating 10-fold dilutions of each inhibitor onto 384-well plates. Using the initial rate values, percentage activity was calculated for each sample relative to a negative (DMSO only) control. The data were fitted to a sigmoidal dose-response model using Prism software (GraphPad Software, San Diego, CA).
2986	1	Pim Kinase Assay	The primary screen and evaluation of the compounds was conducted using an ATP-depletion assay. Recombinant human Pim kinase was incubated with S6 kinase/Rsk-2 peptide 2 in the presence 100 uM of compounds from the screening library (DIVERSet collection of the ChemBridge Corporation). The Kinase-Glo luciferase kit (Promega) was used to measure residual ATP levels after the kinase reaction.
2989	1	Solid-Phase ELISA Kinase Assay	The 96-well flat-bottomed plates were coated with recombinant GST-BAD. After the plates were blocked, the reaction buffer containing test compound and recombinant GST-PIM1 kinase were added to each well. Phosphorylated GST-BAD was detected by an ELISA reaction. The level of phosphorylated GST-BAD present was proportional to the absorbance at 450 nm. Curve fitting and enzyme analyses were done using GraphPad Prism version 4.00 (GraphPad Software, San Diego, CA).
2990	1	Kinase Inhibition Assay	A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptor substrate.
2991	1	Radioactive Filter Plate Assay	PIM-1 kinase activity was evaluated using calf thymus histones as the substrate in a 96-well filter plate format. After incubation, the plate was washed and dried. The scintillation cocktail was added and the radioactivity counted on a TopCount plate reader (Perkin-Elmer). 
2992	1	Pim Kinase Assay	Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by immediate initiation with [gamma-33 P]ATP. Reactions were quenched and transferred to 384-well streptavidin-coated plates. After incubation, radioactivity was counted on a TopCount Scintillation Plate Reader (Packard).
2993	1	FAAH Carbon Filtration Assay	[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamide and arachidonic acid, but not ethanolamine. Uncleaved [3H] anandamide and the unlabeled arachidonic acid are absorbed by the charcoal. In contrast, the labeled [3H] ethanolamine flows through the charcoal minicolumns. The plates can then be read on a Hewlett-Packard TopCount. 
2994	1	FAAH Competitive ABPP Using FP-Rhodamine	Mouse brain membrane proteomes were preincubated with varying concentrations of inhibitors for 10 min prior to the addition of a rhodamine-tagged fluorophosphonate (FP-rhodamine). Reactions were quenched after 10 min, subjected to SDS-PAGE, and visualized in-gel using a flatbed fluorescence scanner. Labeled proteins were quantified by measuring integrated band intensities. Dose response curves obtained from three trials at each inhibitor concentration were fit using Prism software (GraphPad) to 
2994	2	Serine Hydrolase Activity Assay	Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection.  IC50 values were obtained by competitive ABPP with FP-rhodamine. 
2995	1	FAAH Inhibition Assay (5 min Preincubation)	FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation of ammonia and alpha-ketoglutarate to glutamate with a concomitant conversion of NADH to nicotinamide adenine dinucleotide, oxidized form (NAD+), which is spectrophotometrically measured at 340 nm.  Test compounds were preincubated with FAAH at room temperature for 5 min. The reaction was initiated with the addition of substrate oleamide. The absorbance at 340 nm was collected over a period of 30 min with reading taken in 10-s intervals using a spectrophotometer. 
2995	2	FAAH Inhibition Assay (15 min Preincubation) 	FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation of ammonia and alpha-ketoglutarate to glutamate with a concomitant conversion of NADH to nicotinamide adenine dinucleotide, oxidized form (NAD+), which is spectrophotometrically measured at 340 nm.  Test compounds were preincubated with FAAH at room temperature for 15 min. The reaction was initiated with the addition of substrate oleamide. The absorbance at 340 nm was collected over a period of 30 min with reading taken in 10-s intervals using a spectrophotometer.
2995	3	FAAH Inhibition Assay (30 min Preincubation) 	FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation of ammonia and alpha-ketoglutarate to glutamate with a concomitant conversion of NADH to nicotinamide adenine dinucleotide, oxidized form (NAD+), which is spectrophotometrically measured at 340 nm.  Test compounds were preincubated with FAAH at room temperature for 30 min. The reaction was initiated with the addition of substrate oleamide. The absorbance at 340 nm was collected over a period of 30 min with reading taken in 10-s intervals using a spectrophotometer.
2995	4	FAAH Inhibition Assay (60 min Preincubation)	FAAH activity was measured by following the production of ammonia generated from the hydrolysis of oleamide by FAAH. GDH catalyzes the condensation of ammonia and alpha-ketoglutarate to glutamate with a concomitant conversion of NADH to nicotinamide adenine dinucleotide, oxidized form (NAD+), which is spectrophotometrically measured at 340 nm.  Test compounds were preincubated with FAAH at room temperature for 60 min. The reaction was initiated with the addition of substrate oleamide. The absorbance at 340 nm was collected over a period of 30 min with reading taken in 10-s intervals using a spectrophotometer. 
2996	1	FAAH Inhibition Assay	FAAH Inhibition Assay [3H]Ethanolamine produced from [3H]AEA hydrolysis was used to calculate FAAH activity and was measured by scintillation counting of the aqueous phase after extraction of the incubation mixture. Data were expressed as the percentage of [3H]-ethanolamine formed versus vehicle, after subtraction of the background radioactivity determined in the presence of arachidonyl trifluoromethyl ketone (ATFMK), an inhibitor of FAAH. IC50 values were determined using a four-parameter logistic equation for dose-response curves.
2997	1	Enzyme Inhibition Assay	Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in each assay. Quantification of substrate cleavage was assessed using an LJL analyst spectrophotometer (485nm excitation, 535nm emission).
3000	1	Enzyme Inhibition Assay	The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed in a CytoFluor multiwell plate reader, series 4000. Cleavage of internal quenched substrate liberates emission-active Mca product, causing an increase in fluorescence emission at 395 nM (the excitation wavelength is 330 nM). The rate of emission change is proportional to enzyme activity. Initial velocities, in the presence or absence of inhibitor, were measured as slopes of the linear portion of the product progress curves. Apparent Ki values were determined by plotting the inhibitor concentration dependence of the fractional velocity for each enzyme, and fitting the data by a tight binding inhibition equation.
3002	1	Enzyme Inhibition Assay	The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed in a CytoFluor multiwell plate reader, series 4000. Cleavage of internal quenched substrate liberates emission-active Mca product, causing an increase in fluorescence emission at 395 nM (the excitation wavelength is 330 nM). The rate of emission change is proportional to enzyme activity. Initial velocities, in the presence or absence of inhibitor, were measured as slopes of the linear portion of the product progress curves. Apparent Ki values were determined by plotting the inhibitor concentration dependence of the fractional velocity for each enzyme, and fitting the data by a tight binding inhibition equation.
3003	1	Dissociation Enhanced Lanthanide Fluoroimmunoassay (DELFIA)	Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine antibodies to detect phosphate transfer to a random polymer substrate. Upon completion of the incubation, the plate is washed, and DELFIA Enhancement Solution (Wallac) is added to each well. After 15 min of longer, time- resolved fluorescence is measured (excitation at 360 nm, emission at 620 nm).
3007	1	Dissociation Enhanced Lanthanide Fluoroimmunoassay (DELFIA)	Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine antibodies to detect phosphate transfer to a random polymer substrate. Upon completion of the incubation, the plate is washed, and DELFIA Enhancement Solution (Wallac) is added to each well. After 15 min of longer, time- resolved fluorescence is measured (excitation at 360 nm, emission at 620 nm).
3009	1	Radiometric Kinase Assay 	Assays were performed for the Itk enzyme containing residues 357-620, and an Itk enzyme containing the catalytic kinase domain and the TH and SH2 domains (residues 113-620). Kinetic parameters were calculated from nonlinear regression. ATP Km determinations were performed over the [gamma-33P]ATP concentration range of 0 to 250 uM.
3010	1	Radioligand Binding Assay	IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived from the Cheng-Prusoff equation, Ki = IC50 / (1+ [L]/Kd), where the ratio [L]/Kd is approximately 1.
3019	1	Receptor Binding Assay	Competitive binding displacement analysis was performed with membranes prepared from CHO-K1 cells stably expressing receptors. After incubation, samples were collected on GF/B glass-fiber, washed, and counted for radioactivity. IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived from the Cheng-Prusoff equation.
3021	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3024	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3026	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3029	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
3031	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
3032	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
3033	1	Continuous Spectrophotometric Assay	Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. Initial velocities were determined using linear regression and kinetic constants were obtained by fitting the data to the Michaelis-Menten equation.
3034	1	Aurora Kinase Assay	Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction buffer. After incubation, the reaction mixtures were transferred to a neutravidin-coated plate, and phosphorylated peptide was quantified by means of a phosphor-specific antibody (Cell signaling Technology) and a europium labeled secondary antibody (Perkin-Elmer) using time-resolved fluorescence (excitation, 337 nm; emission, 620 nm).
3036	1	In Vitro PARP Enzyme Assay	PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transferred to streptavidin Flash plates (Perkin-Elmer). Incorporated radioactivity was counted using a TopCount microplate scintillation counter.
3038	1	In Vitro PARP Enzyme Assay	PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transferred to streptavidin Flash plates (Perkin-Elmer). Incorporated radioactivity was counted using a TopCount microplate scintillation counter.
3040	1	Fluorescence Resonance Energy Transfer (FRET) Ligand Sensing Assay (LiSA)	The LXR LiSA measures the ligand-dependent recruitment of a 25 amino acid fragment of the steroid receptor coactivator 1 (SRC1) to the ligand-binding domain of the receptor. The biotinylated protein was incubated with streptavidin-AlloPhycoCyanin, biotinylated SRC-1 peptide, and streptavidin-labeled europium. The fluorescence resonance energy transfer was then counted on a Wallac Victor fluorescent plate reader in a time-resolved mode. The relative fluorescence was measured at 665 nm.
3041	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 460 nm.
3043	1	Radioligand Binding Assay	Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reactions were terminated by filtration. Bound radiolabel was determined by liquid scintillation counting. For all of the radioligand competition binding assays, IC50 values and Hill slopes were determined by Hill transformation of the data and Ki values were determined by the Cheng-Prusoff equation.
3045	1	CDK Inhibition Assay	In vitro kinase assay using purified enzyme, was incubated at 30 &#176;C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P] ATP. 33P incorporation was measured with a scintillation counter. IC50 values were calculated from dose-response curves.
3046	1	Fluorescence Polarization-Based Binding Displacement Kinase Assay	The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement of the resulting change in fluorescence properties of the solution. The binding curves were fitted using GraphPad Prism version 4.03 using sigmoidal dose-response variable slope regression functions. The dissociation/displacement constants Kd were calculated using online tool for fluorescence-based competitive binding assays. 
3046	2	Fluorometric TLC Kinase Assay	The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluorescent-labeled substrate. The phosphorylation reaction was initiated by the addition of ATP. At fixed time points, the reaction was analyzed by normal phase TLC. The visualization and quantification of the fluorescent spots were carried out by fluorescence imaging. The data were processed with Graphpad Prism software version 4.03.
3048	1	HTRF Cofactor Peptide Recruitment Assay	Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europium labeled anti-polyhistidine antibody in reaction buffer, and the mixture was incubated in a 384-well assay plate format. Time-resolved fluorescence was measured at 615 and 665 nm on a LJL Analyst plate reader. The ratio of 665/615 was used to calculate EC50 values of test compounds.
3050	1	HTRF Cofactor Peptide Recruitment Assay	Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europium labeled anti-polyhistidine antibody in reaction buffer, and the mixture was incubated in a 384-well assay plate format. Time-resolved fluorescence was measured at 615 and 665 nm on a LJL Analyst plate reader. The ratio of 665/615 was used to calculate EC50 values of test compounds.
3053	1	CB Receptor Binding Assay	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. 
3054	1	In Vitro Kinase Assay	The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the presence of ATP/ [gamma-33P] ATP. After the reaction, an acidic suspension of Dowex resin was added. The unreacted ATP is captured and separated from the supernatant which contains the phosphorylated substrate. It is then transferred onto a new plate for radioactivity counting. 
3056	1	In Vitro Kinase Assay	The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the presence of ATP/ [gamma-33P] ATP. After the reaction, an acidic suspension of Dowex resin was added. The unreacted ATP is captured and separated from the supernatant which contains the phosphorylated substrate. It is then transferred onto a new plate for radioactivity counting. 
3058	1	Radioactive Kinase Assay	The assay was carried out in the reaction buffer containing Cdc7/Dbf4, His6-MCM2, and ATP/[gamma-33P]ATP in the presence of test compounds. After incubation, SPA (scintillation proximity assay) beads coated with anti-His6 antibody (Amersham) were added for an additional 1 h-incubation. The beads were collected by vacuum filtration, washed, and counted in a Microbeta reader (PerkinElmer Wallac). The percent MCM2 phosphorylation was calculated by taking into account the specific activity of the [gamma-33P]ATP and 60% counting efficiency.
3059	1	IKK Kinase Inhibition Assay	IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addition of GST-IKBalpha substrate/ATP to the reaction buffer containing IKK kinase and test compounds. After incubation, detection reagent containing antiphosphoserine IKBalpha monoclonal antibody labelled with europium chelate, and an APC-labelled anti-GST antibody was added. The degree of phosphorylation of GST-IKBalpha was measured using a Packard Discovery plate reader (Perkin-Elmer) as a ratio of  specific 665 nm energy transfer signal to reference europium 620 nm signal.
3059	2	Scintillation Proximity Assay (SPA)	The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]ATP. After incubation, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads. Incorporated radioactivity was measured using Packard TopCount.
3060	1	IKK Kinase Inhibition Assay	IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addition of GST-IKBalpha substrate/ATP to the reaction buffer containing IKK kinase and test compounds. After incubation, detection reagent containing antiphosphoserine IKBalpha monoclonal antibody labelled with europium chelate, and an APC-labelled anti-GST antibody was added. The degree of phosphorylation of GST-IKBalpha was measured using a Packard Discovery plate reader (Perkin-Elmer) as a ratio of  specific 665 nm energy transfer signal to reference europium 620 nm signal.
3063	1	Scintillation Proximity Assay (SPA)	The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by PAR antibody and finally bound to SPA beads, was measured by liquid scintillation spectrometry.
3064	1	PARP ELISA Assay	The potency of inhibition on purified PARP enzyme was determined for selected compounds, and the potency was compared with that of 3-aminobenzamide (3-AB), a prototypical benchmark PARP inhibitor. The assay was performed in 96-well ELISA plates according to instructions provided with a commercially available PARP inhibition assay kit (Trevigen, Gaithersburg, MD). After incubation, incorporated biotin was detected by peroxidase-conjugated streptavidin and TACS Sapphire substrate. 
3065	1	PARP-1 Enzyme Assay	A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the binding of PARP-1 to a double-stranded DNA oligonucleotide leading to the active enzyme. Using NAD+/[3H]NAD+ as substrate, activated PARP-1 synthesizes labeled poly(ADP-ribose) chains. Once the reaction is stopped, ADP-ribose polymers are brought into proximity with the pretreated FlashPlate walls, resulting in signal amplification. This signal is then detected by a TopCount scintillation plate reader. All experiments were repeated at least three times.
3067	1	Reverse Transcriptase Assay	The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. The substrate-incorporated radioactivity was measured using the Topcount NXT with a reading time of 1 minute/well and IC50 were deduced from the dose response curves obtained.
3068	1	Reverse Transcriptase Assay	The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. The substrate-incorporated radioactivity was quantitated by scintillation counting.
3070	1	Reverse Transcriptase Assay	IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represents the mean of at least three determinations. The reproducibility of the assay was gauged using an internal standard.The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.
3072	1	HIV-1 Reverse Transcriptase Assay	IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extension assay. EC50s were obtained from inhibition of virus-induced cell-death in MT-4 cells.
3073	1	Kinase Inhibition Assay	Kinase assays were performed in 384 well Optiplates (Packard) using an Alphascreen Protein Tyrosine Kinase kit. Inhibitors were added to the mixtures containing affinity purified CSF1-R and biotinylated substrate thirty minutes prior to the addition of ATP. After incubation, Alphascreen phosphotyrosine acceptor beads followed by streptavidin donor beads were added under subdued light. The Alphascreen plates were read on a Packard Fusion Alpha.
3074	1	Inhibition of CARM-1 Enzymatic Activity	Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor. The enzyme mixture containing test compound is left to pre-incubate for 10 minutes, followed by the addition of Histone H3/[3H] SAM mixture. After incubation, the mixture is spotted onto P30 Filtermat paper. The incorporated radioactivity is read using a Wallac Microbeta counter. The data is analyzed to generate IC50 values.
3075	1	PARP-1 Enzyme Assay	A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the binding of PARP-1 to a double-stranded DNA oligonucleotide leading to the active enzyme. Using NAD+/[3H]NAD+ as substrate, activated PARP-1 synthesizes labeled poly(ADP-ribose) chains. Once the reaction is stopped, ADP-ribose polymers are brought into proximity with the pretreated FlashPlate walls, resulting in signal amplification. This signal is then detected by a TopCount scintillation plate reader. All experiments were repeated at least three times.
3076	1	PARP-1 Enzyme Inhibition Assay	To assess the inhibitory activity of novel inhibitors, the PARP-1 enzyme assay was carried out in reaction mixture consisting of Escherichia coli strain B typeVIII DNA, [adenylate-32P]-NAD, PARP-1, and various concentrations of PARP inhibitors. The reaction mixture was incubated at room temperature for 10 min, and the reaction was stopped with saturated ammonium sulfate, and filtered over MAIP filter plates. The incorporated radioactivity was determined by liquid scintillation counting. 
3077	1	PARP Enzyme Inhibition Assay	To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon testes DNA, [adenylate-32P]-NAD, recombinant PARP enzyme, and various concentrations of PARP inhibitors. The reaction mixture was incubated at room temperature for 15 min, and the reaction was terminated by adding trichloroacetic acid. The precipitate was transferred onto GF/B filter. After the filter was washed and dried, the radioactivity was determined by liquid scintillation counting. IC50 values were calculated from the concentration dependence of the inhibition curves by using computer-assisted non-linear regression analyses.
3079	1	Human Liver GPa Enzymatic Activity Assay	An enzymatic assay was developed to measure the response of the activated form of glycogen phosphorylase to small molecule compounds. The assay was to monitor the glycogenolytic reaction by coupling the production of glucose-1 -phosphate from glycogen and inorganic phosphate to phosphoglucomutase, glucose-6-phosphate dehydrogenase, NADH oxidase and horseradish peroxidase to produce the fluorescent product resorufin. The assays were performed in duplicate in 96 or 384-well microtiter plates and the change in fluorescence due to product formation was measured on a fluorescence plate reader using a 560 nm excitation filter and 590 emission filter.
3080	1	DNA Strand-Transfer Activity Assay	In the strand-transfer assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow processing of the donor DNA. Serially diluted compounds and DIG-tagged target DNA were then added to each well, and 3-end joining reaction was allowed to proceed for 30 min. Signal was detected using horseradishperoxidase-conjugated anti-Digoxin antibody through chemiluminescence measurement.
3081	1	HDAC Activity Assay	The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presence of test compounds. Fluor-de-Lys Developer was then added, and the mixture was incubated for another 10 min at room temperature. Fluorescence was measured using a fluorescent plate reader, with excitation 360 nm and emission 460 nm.
3083	1	IGF-1R Inhibition Assay	Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in the presence of test compounds. After incubation, Streptavidin-APC and Europium conjugated phospho-tyrosine antibodies (Perkin-Elmer) are added for signal detection. The signal is read on PerkinElmer Viewlux microplate imager or Wallac Victor fluorometer.
3083	2	JNK1 Inhibition Assay	Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 in the presence of test compounds. After incubation, Streptavidin-APC and Europium-labeled anti-phospho-C-Jun monoclonal antibody are added for signal detection. The signal is read on PerkinElmer Viewlux microplate imager or Wallac Victor fluorometer.
3083	3	Fluorescence Anisotropy Competitive Binding Assay	Inhibitor binding to JNK3 was assessed by a fluorescence anisotropy competitive binding assay. The reaction mixture (JNK3 and fluorescently labelled inhibitor) is added to wells containing various concentrations of test compound in black 384-well microtitre plates. Fluorescence anisotropy is read in Molecular Devices Acquest (excitation 530 nm/emission 580 nm).
3086	1	IGF-1R Inhibition Assay	Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in the presence of test compounds. After incubation, Streptavidin-APC and Europium conjugated phospho-tyrosine antibodies (Perkin-Elmer) are added for signal detection. The signal is read on PerkinElmer Viewlux microplate imager or Wallac Victor fluorometer.
3088	1	Fluorescence Peptide Cleavage Assay	Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule inhibitor. Substrate was cleaved between Pro (8)-Ile (9) with an increase in fluorescence. The reaction was examined by using a fluorescent plate reader at excitation and emission wavelength at 380 and 450 nm.
3089	1	Enzyme Assay and Determination of the Inhibition Constants IC50	Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydrolysis was followed by measuring the increase in relative fluorescence.  The enzyme activity was measured after 10 min preincubation of the enzyme with varying concentrations of the inhibitor. Each assay was run at least in duplicate and the IC50 values were calculated using Life Science Workbench (LSW) Data Analysis Plugin for Microsoft Excel. The data were fitted into the formula y= Vmax / (1 + ([I]/IC50)).
3090	1	IGF-1R Inhibition Assay	The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity was quantitated using a TopCount 96-well liquid scintillation counter. IC50 values were derived by non-linear regression analysis. 
3090	2	CYP3A4 Enzyme Inhibition Assay	The inhibition of recombinant human CYP3A4 was measured as the ability to perform a dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Before running the assay, it was verified that the test compound fluorescence was not the same wavelength as the BFC metabolite. Ketoconazole was used as a positive control in the assay. The fluorescence was measured using a LJL Analyst (Molecular Devices Corporation, Sunnyvale, CA).
3091	1	FMS Enzyme Inhibition Assay	FMS was assayed using a fluorescence polarization (FP) competition immunoassay that measured FMS phosphorylation of FMS 555-568 peptide at Y561. The reaction was initiated with ATP, incubated 80 min at room temperature, and quenched by the addition of EDTA. The FP buffer/tracer/phospho-Y antibody mix (Invitrogen) was added to the quenched reaction, and FP was measured using an Analyst reader (Molecular Devices) at excitation/emission of 485/530 nm.
3091	2	Axl Enzyme Inhibition Assay	Axl was assayed using a fluorescence polarization (FP) competition immunoassay that measured Axl phosphorylation of polyGlu4Tyr. The reaction was initiated with ATP, incubated 11 min at room temperature, and quenched by the addition of EDTA. The FP buffer/tracer/phospho-Y antibody mix (Invitrogen) was added to the quenched reaction, and FP was measured using an Analyst reader (Molecular Devices) at excitation/emission of 485/530 nm.
3091	3	TrkA Enzyme Inhibition Assay	TrkA was assayed using a fluorescence polarization (FP) competition immunoassay that measured TrkA phosphorylation of polyGlu4Tyr. The reaction was initiated with ATP, incubated 27 min at room temperature, and quenched by the addition of EDTA. The FP buffer/tracer/phospho-Y antibody mix (Invitrogen) was added to the quenched reaction, and FP was measured using an Analyst reader (Molecular Devices) at excitation/emission of 485/530 nm.
3094	1	Fluorescence Polarization Affinity Measurements	Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing antagonist and polarization probe in the buffer. Samples were read after 30-min incubation. Fluorescence polarization values were plotted as a function of the antagonist concentration, and the IC50 values were obtained by fitting the data to a four-parameter equation using KaleidaGraph software. Ki values for the antagonists were determined from the IC50 values. 
3096	1	Enzyme Inhibition Assay	An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were performed on an isothermal titration calorimeter, VP-ITC instrument from MicroCal (Northampton, MA). In all cases, the calorimetric cell contained the enzyme solution while the ligand(s) were loaded into the automatic injection syringe. Substrate and inhibitor mixtures were prepared and loaded into the injection syringe to monitor enzyme activity in the presence of inhibitor. Single injection method was used in all studies. The heat change was measured as the reaction progressed until the heat returned to baseline, indicating the end of the reaction. The inhibition constant, Ki was calculated by direct fitting of the data from inhibition assays, or was derived from the Dixon plot for competitive inhibition. 
3097	1	DGAT Enzyme Inhibition Assay	The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding substrate [14C]oleoyl coenzyme A and incubated. After the reaction was stopped, radioactive triolein product was separated into the organic heptane phase. DGAT activity was quantified by counting aliquots of the upper heptane layer by liquid scintillography.
3097	2	ACAT-1 Enzyme Inhibition Assay	The assay mixture contains test compound, membrane protein, cholesterol solubilized in Triton WR-1339, and glutathione in a 96-deep well plate. The reaction was started by adding substrate [14C]oleoyl coenzyme A and incubated. After the reaction was stopped, radioactive cholesteryl oleate product was separated into the organic heptane phase. ACAT-1 activity was quantified by counting aliquots of the upper heptane layer by liquid scintillography.
3098	1	Beta-2 Adrenergic Receptor Binding Assay and Agonist Functionality Assay	In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration causing a half maximal inhibition of control specific binding) were determined by non-linear regression analysis of the competition curves using Hill equation curve fitting. The inhibition constants (Ki) were calculated from the Cheng Prusoff equation. EC50 values measure the receptor agonist activities functionally using a quantitative ex vivo guinea pig trachea bioassay.
3098	2	Beta-2 Adrenergic Receptor Binding Assay 	In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration causing a half maximal inhibition of control specific binding) were determined by non-linear regression analysis of the competition curves using Hill equation curve fitting. The inhibition constants (Ki) were calculated from the Cheng Prusoff equation. 
3098	3	Mu Opioid Receptor Binding Assay and Antagonist Functionality Assay	In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration causing a half maximal inhibition of control specific binding) were determined by non-linear regression analysis of the competition curves using Hill equation curve fitting. The inhibition constants (Ki) were calculated from the Cheng Prusoff equation. EC50/IC50 measures the antagonist activities on mu-agonist triggered luminescence in AequoScreen cells.
6501	2	Radioligand Binding Assay	Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/well in a final volume of 500 uL binding buffer (10mM MgCl2, 1mM EDTA, 5% DMSO, 50mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at about 25C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylemimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500uL of ice-cold binding buffer. Filter plates were subsequently dried at 50C for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50uL/well), and plates were counted using a Packard Top-Count for 1 min/well.
3099	1	In Vitro Kinase Inhibition Assay	Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test compounds. After incubation, product was detected using a homogeneous time-resolved fluorescence procedure. 
3100	1	Receptor Tyrosine Kinase Inhibition Assay	Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in the presence of test compounds. Reactions were terminated and transferred to MAPH phosphocellulose filter plates. The scintillation mixture was added to each well, and the assay was quantified by counting in a Packard Topcount (Packard Instrument Co.).
3101	1	Calcium-Sensing Receptor Antagonist Fluorescence Assay	Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability of these compounds to block increases in (Ca2+)i after addition of Ca2+ to the culture medium. Fluorescence was monitored using a fluorescence imaging plate reader (FLIPR). The dose-response curves for the compounds (half-log concentrations in triplicate) were generated based upon the ability of the compounds to inhibit the Ca2+-induced increase in (Ca2+)i-related fluorescence.
3103	1	Met Kinase Inhibition Assay	Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate in the presence of test compound. Dose response curves were generated to determine the concentration required to inhibit 50% of substrate phosphorylation (IC50).
3104	1	COT HTRF Assay	The COT direct HTRF assay was carried out using biotin-MEK1 as a substrate. The reaction was carried out in black 96 half-well plates.  At designated time points, EDTA was added to quench the reaction.  Detection reagents were then added to each well to make anti-phospho-MEK1-Eu antibody and SAXL.  The plates were incubated, and then read using the RUBYstar HTRF reader. 
3104	2	MEK HTRF Assay	MEK1 cascade HTRF assays were carried out using inactive Erk2 as a downstream kinase with biotin-MBP protein as the final substrate. The reaction was carried out in black 96 half-well plates. At designated time points, EDTA was used to quench the reaction.  Detection reagents were added to each well for anti-phospho-MBP-Eu and SAXL. The plates were incubated, and then read using the RUBYstar HTRF reader.
3104	3	ERK HTRF Assay	The ERK HTRF assays were carried out using biotin-MBP protein as a substrate. The reaction was carried out in black 96 half-well plates. At designated time points, EDTA was used to quench the reaction.  Detection reagents were added to each well for anti-phospho-MBP-Eu and SAXL. The plates were incubated, and then read using the RUBYstar HTRF reader.
3105	1	In Vitro Kinase Inhibition Assay	Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test compounds. After incubation, product was detected using a homogeneous time-resolved fluorescence quenching assay (LANCE).
3107	1	In Vitro Kinase Inhibition Assay	Assays were performed in microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified kinase in the presence of test compounds. After incubation, product was detected using a homogeneous time-resolved fluorescence quenching assay (LANCE).
3109	1	Fluorescence-Polarization (FP) Binding Assay	The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner will increase the polarization of the emitted fluorescence. 
3110	1	Radioligand Binding Assay and Luciferase Transcriptional Reporter Gene Assay	LXR receptor binding assays were performed in 96-well plates. For each well reaction, GST-LXR-LBD fusion proteins were bound to SPA beads, and radioligand was added in the presence of test compound. The amount of bound ligand was measured on a Packard TopCount using OptiPlates (Packard). IC50s were obtained from dose-response curves.  EC50s were generated from Luciferase transcriptional reporter assay in baby hamster kidney cells.
3112	1	Scintillation Proximity Assay (SPA)	The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-33P]ATP. After incubation, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads. Incorporated radioactivity was measured using Packard TopCount.
3114	1	Scintillation Proximity Assay (SPA)	The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-33P]ATP. After incubation, the phosphorylated substrate was separated from nonincorporated radioactive ATP using SPA beads. Incorporated radioactivity was measured using Packard TopCount.
3115	1	HIV Integrase Strand Transfer Scintillation Proximity Assay (SPA)	Purified recombinant integrase was first combined in a complex with biotinylated donor DNA- streptavidin-coated SPA beads. The complex was preincubated with the test compound, and strand transfer was initiated with a radiolabeled target DNA substrate. After incubation, the incorporated radioactivity was read in a Wallac MicroBeta scintillation plate reader using a counting protocol that corrected for optical cross talk between wells.
3116	1	HIV Integrase Strand Transfer Scintillation Proximity Assay (SPA)	Purified recombinant integrase was first combined in a complex with biotinylated donor DNA- streptavidin-coated SPA beads. The complex was preincubated with the test compound, and strand transfer was initiated with a radiolabeled target DNA substrate. After incubation, the incorporated radioactivity was read in a Wallac MicroBeta scintillation plate reader using a counting protocol that corrected for optical cross talk between wells.
3119	1	ADAMTS-5 Enzyme Inhibition Assay	The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various concentrations of test compound. The reaction was initiated by addition of the substrate. Fluorescence was measured at excitation of 325 nm and emission of 405 nm with a fluorometric plate reader (Fluostar-P; BMG Lab Technologies). 
3121	1	TryR Enzyme Inhibition Assay	Inhibition of TryR was carried out in 96-well plates using a Biotek Precision 2000 automated liquid handler. Reaction was initiated by addition of NADPH to the assay mixtures contained TryR , trypanothione disulfide substrate, and inhibitor (100 uM to 10 nM in 3-fold serial dilutions). The linear rate of thionitrobenzoate ion formation was monitored over 5 min in a Spectramax 340PC plate reader (Molecular Devices) at 412 nm. Raw data was processed using Microsoft Excel. Grafit 5.0 (Erithacus software) was used to fit the data to a three-parameter equation to determine IC50 values. IC50 determinations were carried out in triplicate for each compound and the mean weighted to standard error calculated.
3123	1	11beta-HSD1 SPA Assay	Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine enzyme activities. The radioactive cortisol generated in the assay was captured by a monoclonal anti-cortisol antibody and SPA beads coated with anti-mouse antibodies. Radiometric quantitation was determined on a TopCount NXT instrument.
3124	1	ADA Enzyme Inhibition Assay	The activity of ADA was determined spectrophotometrically by monitoring the change in absorbance at 262 nm, due to the deamination of adenosine catalyzed by the enzyme. The change in adenosine concentration per min was determined using a Beckman DU-64 kinetics software program (Solf Pack TM Module). To correct for the background change in absorption, a reference blank containing all the assay components except the substrate was prepared. Each inhibitor concentration was tested in triplicate. The IC50 values were determined by linear regression analysis of dose-response curves. The Ki values were calculated from IC50 values by means of the Cheng and Prusoff.
3125	1	Pim Kinase Dose-Response Assay	The activity of Pim kinase was measured in a homogeneous luciferase assay using GST-Pim, biotinylated peptide substrate and a luciferin-luciferase detection reagent to quantify residual ATP. Test compounds were serially diluted for the 10-point concentration response. The assay was performed in 96-well half-area, white, nonbinding surface microtiter plates (Corning, catalog no. 3642). Following incubation, ATP detection reagent was added to the assay plates and the relative light unit (RLU) signal was measured on the Analyst (Molecular Devices) in luminescence mode. The RLU signals were converted to percent of control in dose-response curves. The IC50 was determined as the inflection point parameter. 
3127	1	AdoMetDC Inhibition Assay	The C-terminal his-tagged AdoMetDC was assayed by measuring the release of 14CO2 from S-adenosyl-L-[carboxy-14C]methionine (Amersham Pharmacia Biotech). For determination of the abilities of compounds to inhibit AdoMetDC, the enzyme activity was determined in the presence of no inhibitor and at least five concentrations of each potential inhibitor. The IC50 values were determined from curve fitting to plots of the inhibitor concentration versus the % inhibition of AdoMetDC.
3129	1	MMP Inhibition Assay	The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with various concentrations of compound. The rate of increase in fluorescent signal was measured on a Safire plate reader (Tecan, Mannedorf, Switzerland) exciting at a wavelength of 325 nm and measuring at an emission wavelength of 395 nm. 
3132	1	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the presence of test compounds. Product was detected by adopting a HTRF procedure using streptavidin linked-allophycocyanin and europium-conjugated antiphosphotyrosine antibody. Product was detected using a Victor plate reader (Wallac) with a time delay at 665 nm.
3134	1	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the presence of test compounds. Product was detected by adopting a HTRF procedure using streptavidin linked-allophycocyanin and europium-conjugated antiphosphotyrosine antibody. Product was detected using a Victor plate reader (Wallac) with a time delay at 665 nm.
3136	1	FXR Co-transfection Assay	The assays were performed using CV-1 African Green Monkey Kidney cells transfected with the vectors harboring human FXR, RXR, and luciferase reporter genes. The co-transfection assays were used to establish the EC50 values for potency and percent activity for efficacy. Efficacy defines the activity of a compound relative to a high control (100 uM of chenodeoxycholic acid) or a low control (DMSO/vehicle). The dose response curves are generated from an 8 point curve with concentrations differing by 1/2LOG units. Each point represents the average of 4 wells of data from a 384 well plate. The EC50 values represented are the averages of at least 3 independent experiments. 
3137	1	IKK Enzymatic Activity Assay	Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solution and ATP in the presence of test compound. The substrate phosphorylation was quantitated by competition for binding to an antiphospho-I-kappa-B-alpha antibody (SantaCruz Biotechnology no. sc-8404) with fluorescein-labeled as measured using fluorescence polarization.
3139	1	Radioligand Binding Assay (Ki)	Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compounds. The mixture was incubated at room temperature for 60 min and the reaction stopped by rapid filtration onto a 96-well GF/B filter using a Packard Filtermate harvester. Radioactivity retained on the filters was measured by liquid scintillation in a Packard TopCount. IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. 
3140	1	Filtration Binding Assay	Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compounds. The mixture was incubated at room temperature for 2-h and the reaction stopped by rapid filtration onto a 96-well GF/B filter using a Packard Filtermate harvester. Radioactivity retained on the filters was measured by liquid scintillation in a Packard TopCount. IC50 values were calculated using a one-site competition fitting model. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. 
3142	1	Transactivation Cell-Based Assay	The assay was to monitor the SF-1 activation state via co-transfection of CHO-K1 cells with a plasmid encoding a Gal4-SF-1 chimerical transcription factor, pGal4DBD-SF-1-LBD, and a second plasmid driving luciferase expression under control of 5 multimerized Gal4 binding sites. The assay began by dispensing transfected cell suspension to each well (4,000 cells / well) of a white solid-bottom 1536-well plate. One hour after seeding, cells were treated with test compounds or DMSO alone (high control). The -NR cells (not co-transfected with nuclear receptor) were treated with DMSO (low control). After incubation, the luciferase assay was performed, and light emission was measured for 30 seconds with the ViewLux reader (PerkinElmer, Turku, Finland). Activity of each compound was calculated using the equation: Percent inhibition of compound=100 x (1-(test well-low control)/ (high control-low control)) EC50/IC50 is the concentration of test compound to exert 50% inhibition.
3143	1	Radioligand Binding Assay	Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioligand bound were constructed. IC50 values were obtained from a nonlinear least squares fit of the data.
3143	2	Radioligand Binding Assay	Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioligand bound were constructed. IC50 values were obtained from a nonlinear least squares fit of the data.
3147	1	Cell-Based Transcription Assay	The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with PPAR chimera expression vector along with a reporter construct containing five copies of the GAL4 DNA binding site driving expression of secreted placental alkaline phosphatase (SPAP). Alkaline phosphatase activity was corrected for transfection efficiency using the beta-galactosidase activity as an internal standard. EC50 is the concentration of test compounds needed to induce 50% of the maximum alkaline phosphatase activity.  
3151	1	Cell-Based Transcription Assay	The HEK293 cells were co-transfected with DNA constructs containing the ligand-binding domain of PPAR and Gal4-luciferase reporter. The luciferase activity was measured with the Steady-Glo Luciferase Assay kit (Promega; Madison, WI) according to the manufacturer instructions. EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity. The EC50 value is the average of more than two separate tests. 
3154	1	Competition Binding Assay (Ki)	The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]rosiglitazone. Test compounds were tested in 10-point concentration-response curves starting at the indicated concentration. All components were added simultaneously and incubated with gentle shaking for 1 h at room temperature. Scintillation counts were determined in a Microbeta 1450 Wallac Trilux counter (PerkinElmer Life Sciences), reading each well for 1 min. Wells devoid of competitor represented 100% binding. Nonspecific binding was measured by leaving PPARgamma protein out of the scintillation proximity assay reaction. Experiments were repeated three times. Ki values of the ligands were calculated using Graph-Pad Prism version 4.0c for Macintosh (GraphPad Software).
527	1	alpha-4 beta-7 Integrin Cell Capture Assay	The potency of inhibitors in preventing α4β7 integrin interaction with MadCAM-1 was measured by monitoring the capture of α4β7 integrin expressing cells on a recombinant MadCAM-1 extracellular domain-coated plate. 384-Well plates (Corning 3702) were coated with MadCAM-1 extracellular domain by dispensing 20 μL of MAdCAM-1 at 1.0 μg/mL per well and incubating overnight at 4° C. The plates were then washed with PBS and blocked with 3% BSA for 2 hours before being washed again.
3159	1	PPAR alpha Fluorescence Polarization Assay	For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fluorescence polarization measurements were performed on an LJL Analyst (Molecular Devices, Sunnyvale, CA) using an excitation wavelength of 485 nm and an emission wavelength of 530 nm. IC50, Hill slope, and maximal and minimal inhibition values were calculated in XLfit (IDBS, Guildford, Surrey, UK).
3159	2	PPAR gamma Fluorescence Polarization Assay	For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Fluorescence polarization measurements were performed on an LJL Analyst (Molecular Devices, Sunnyvale, CA) using an excitation wavelength of 485 nm and an emission wavelength of 530 nm. IC50, Hill slope, and maximal and minimal inhibition values were calculated in XLfit (IDBS, Guildford, Surrey, UK).
3160	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. For the determination of the IC50 values (concentration of inhibitor required for 50% inhibition) different inhibitor concentrations were applied.
3164	1	MAPKKide Assay	The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained MAPKKide, LF (List Biological Laboratories), and the screening compounds. Kinetics of the peptide cleavage was examined for 30 min by using a fluorescence plate reader at excitation and emission wavelengths of 485 and 535 nm, respectively, and IC50 values were obtained by dose-response measurements. For selected compounds, Lineweaver-Burk analysis was also carried out to verify that the compounds are competitive against the substrate. 
3164	2	SNAPtide Assay	The fluorescence peptide cleavage assay was performed in a 96-well plates in which each reaction mixture contained SNAPtide, BoNT /A (List Biological Laboratories), and the screening compounds. Kinetics of the peptide cleavage was examined for 30 min by using a fluorescence plate reader at excitation and emission wavelengths of 485 and 535 nm, respectively, and IC50 values were obtained by dose-response measurements. 
3164	3	MMP Inhibition Assay	This assay was performed as outlined in the Anaspec MMP assay kit. The fluorescence peptide cleavage assay was performed in a 96-well plate in which each reaction mixture contained 5-FAM / QXL520 and activated MMP-2 or MMP-9 in assay buffer, and the screening compounds. Kinetics of the peptide cleavage was examined every 5 min for 30 min by using a fluorescence plate reader at excitation and emission wavelengths of 485 and 535 nm, respectively, and percent inhibition values were obtained.
3170	1	In Vitro Assessment of Peptide Substrate Cleavage by BoNTA-LC	Reactions between recombinant BoNTA-LC and fluorescent peptide substrate were carried out in 96-well microplates. Reaction progress was measured continuously by increase in fluorescence at Ex =398 nm, Em=485 nm as the cleavage of the substrate relieved the quenching of DACIA fluorescence by the 2,4-dinitrophenyl-lysine. The initial velocity values for enzymatic cleavage of peptide substrate were plotted against inhibitor concentration. The points were fit by non-linear regression analysis using the graphing program Prism (GraphPad). IC50 is the inhibitor concentration that achieves half-maximal enzyme inhibition. 
3176	1	Dissociation Constants (KD) Measurements and Enzyme Inhibition Assay (IC50)	The NMR experiments were performed to determine the binding affinity (KD) for the MMP-12 catalytic domain. The alteration of the chemical shifts induced on 2D 1H-15N HSQC upon the titration with the test compound was analyzed. The fit of the experimental data as a function of ligand concentration provided dissociation constant. The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis of fluorescence-quenched peptide substrate. The enzyme was incubated with increasing concentration of inhibitor and the fluorescence (ex=328 nm; em=393 nm) was measured for 3 min after the addition of the substrate using a Varian Eclipse fluorimeter. Fitting of hydrolysis rate as a function of inhibitor concentration provided IC50. 
3176	2	Dissociation Constants (KD) Measurements	The NMR experiments were performed to determine the binding affinity (KD) for the MMP-12 catalytic domain. The alteration of the chemical shifts induced on 2D 1H-15N HSQC upon the titration with the test compound was analyzed. The fit of the experimental data as a function of ligand concentration provided dissociation constant.
3176	3	Inhibition Potency Measurements	The inhibition potency (IC50) was measured by fluorescent enzymatic assays. The compounds were evaluated for their ability to inhibit the hydrolysis of fluorescence-quenched peptide substrate. The enzyme was incubated with increasing concentration of inhibitor and the fluorescence (ex=328 nm; em=393 nm) was measured for 3 min after the addition of the substrate using a Varian Eclipse fluorimeter. Fitting of hydrolysis rate as a function of inhibitor concentration provided IC50.
3177	1	DHODH Inhibition Assay	The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final electron acceptor. DCIP reduction is stoichiometrically equivalent to oxidation of dihydroorotate. Changes in absorbance were quantified in triplicate on a plate reader and data were analyzed to measure the reduction of DCIP as a decrease in absorbance at 600 nm. The data were then processed with Graphpad Prism to determine the IC50 and the apparent enzyme inhibition constant (Ki) for each inhibitor. Ki values were calculated using the Cheng-Prusoff equation with the Km for CoQD of 13.4 uM and 14.0 uM for PfDHODH and HsDHODH respectively.
3179	1	Enzyme  Inhibition Assay	Compounds were tested for inhibition of sirtuin (SIRT1 or SIRT2) using the human recombinant enzyme provided with the Fluor de Lys fluorescence-based assay kit (BIOMOL) in a 96-well microplate format. Positive controls were provided by the known inhibitors tenovin-6 and cambinol. After incubation, plates were read in a Spectra max Gemini XS fluorimeter with an excitation wavelength of 355 nm and an emission wavelength of 460 nm. IC50 values were determined for compounds that had over 60% inhibition at 60 uM (repeated at least twice).
3181	1	CB1 Radioligand Binding Assay (Ki) and GTP-gamma-[35S] Binding Assay (EC50)	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. EC50 values were obtained from GTP-gamma-[35S] binding assay using CHO-K1 cells stably transfected with the human CB1 receptor cDNA.
3183	1	CB Receptor Radioligand Binding Assay (Ki)	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3183	2	TRPV1 Channel Activity Assay	The effect of the substances on Ca2+ influx was determined by using HEK-293 cells stably overexpressing recombinant human TRPV1 cDNA. The cells were loaded with Fluo-4, a selective intracellular fluorescent probe for Ca2+. Experiments were carried out by measuring cell fluorescence before and after the addition of the test compounds at various concentrations. Agonist activity was determined in comparison to the maximum Ca2+ influx due to the application of 4 uM ionomycin. EC50 values were determined as the concentration of test substances required to produce half-maximal increases in [Ca2+]i. All determinations were at least performed in triplicate. Curve fitting (sigmoidal dose-response variable slope) and parameter estimation were performed with GraphPad Prism (GraphPad Software Inc., San Diego, CA).
3185	1	CB Receptor Radioligand Binding Assay (Ki)	IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3186	1	SPA Receptor Binding Assay	Wheat Germ Agglutinin derivatized SPA beads containing a scintillant (WGA beads) (Amersham) bound the membranes of BHK cells transfected with the human glucagon receptor. 125I-glucagon bound to the receptor in the membranes and excited the scintillant in the WGA beads to light emission. Test compound binding to the receptor competed with 125I-glucagon. The binding assay was carried out in opti plates (Polystyrene Microplates, Packard). After incubation, the opti plates were counted in a Topcounter.
3188	1	MAO Enzyme Inhibition Assay	The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide (and therefore, of resorufin) from p-tyramine, using the Amplex Red MAO assay kit (Molecular Probes, Eugene, Oregon, USA) and microsomal MAO isoforms prepared from insect cells infected with recombinant baculovirus containing cDNA inserts for human MAO-A or MAO-B. The production of H2O2 was quantified in a multidetection microplate fluorescence reader (FLX800, Bio-Tek Instruments, Inc., Winooski, VT) based on the fluorescence generated (excitation, 545 nm; emission, 590 nm) over a 15 min period, in which the fluorescence increased linearly. 
3190	1	MAO Enzyme Inhibition Assay	The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide (and therefore, of resorufin) from p-tyramine, using the Amplex Red MAO assay kit (Molecular Probes, Eugene, Oregon, USA) and microsomal MAO isoforms prepared from insect cells infected with recombinant baculovirus containing cDNA inserts for human MAO-A or MAO-B. The production of H2O2 was quantified in a multidetection microplate fluorescence reader (FLX800, Bio-Tek Instruments, Inc., Winooski, VT) based on the fluorescence generated (excitation, 545 nm; emission, 590 nm) over a 15 min period, in which the fluorescence increased linearly. 
3194	1	QR2 Assay and IC50 Value Determination	The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorbance of the product formazan at 610 nm which is produced from MTT. IC50 values were determined in 96-well plates. Each assay mixture contained QR2, NMeH, and MTT in a reaction buffer containing test compounds. Inhibitor concentrations ranged from 0.4 to 500 uM, and 11 different inhibitor concentrations were chosen for each IC50 value determination. Assays at each inhibitor concentration were performed in triplicate, and the average rate values and standard deviation at each rate were used to determine the IC50 values.
3196	1	NOS Enzyme Inhibition Assay	Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401 nm on a Perkin-Elmer Lambda 10 UV-vis spectrophotometer. The apparent Ki values were obtained by measuring percent inhibition in the presence of 10 uM L-arginine with at least four different concentrations of inhibitor. The IC50 values were determined by linear regression analysis of the percent inhibition data. Inhibition constants Ki were derived from the equation, Ki = IC50 / (1+ [S]/Km). 
3201	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3203	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3205	1	DELFIA Assay (Dissociation Enhanced Lanthanide Fluoro-Immuno Assay)	Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby a biotin-linked pepJIP1 is adsorbed onto a streptavidin-coated plate followed by incubation with GST-JNK1. Subsequently, fluorescence was measured (excitation wavelength, 340 nm; emission wavelength, 615 nm). Controls include unlabeled peptide and blanks receiving no compounds.
3205	2	In Vitro Kinase Assay (LanthaScreen Kinase Assay)	Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) based LanthaScreen kinase assay (Invitrogen). The signal was measured at 520/495 nm emission ratio on a fluorescence plate reader (Victor 2, Perkin-Elmer).
3208	1	Receptor Binding Assay (Ki) and Transactivation Assay (EC50)	Binding assays were conducted by incubating test compound at various concentrations with [3H]DHT with human cancer epithelial breast cell lines MDAMB-45. IC50 value was obtained from dose-response displacement curves. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation. EC50 value was obtained from functional transactivation assay, which was conducted to assess the potency and efficacy of agonist/antagonist in stably transfected mouse myoblast C2C12 cell line utilizing a luciferase reporter. 
3209	1	Fluorescence Resonant Energy Transfer (FRET) Helicase Assay 	The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in the presence of test compound. The substrate was monitored by the fluorescence quenching of FITC. The assay mixture was added to a 384-well microplate and monitored continuously at an excitation of 485 nm and an emission of 518 nm using a Fluoroskan Ascent microplate fluorescence reader (LabSystems, VA). The original data were normalized by the formula of relative helicase activity (%). When the inhibition of helicase activity was more than 50% at a concentration of 100 uM, the IC50 values were determined by curve fitting using SigmaPlot2000 of logistic with three parameters.
3210	1	Spectral Titration of TCCYP51	As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. These spectral responses can be used to estimate the apparent dissociation constants (Kd) of the enzyme/ligand complexes. The titration experiments were carried out at in a cuvette containing TCCYP51 in the wavelength range 350-500 nm using a Shimadzu UV-2401PC spectrophotometer. The tested compounds were added in 1 ul aliquots to the test cuvette until the maximum in spectral response was reached. Equal volumes of DMSO were added to the reference cuvette. The apparent Kd values were determined from the equilibrium titration curves by plotting absorbance changes against the concentration of free ligand and fitting the data to a rectangular hyperbola using SigmaPlot Statistics.
3211	1	Surface Plasmon Resonance (SPR)-Based Biosensor Measurements (KD) and Enzyme Inhibition Assay (IC50)	SPR experiments where performed with a Biacore A100 using Series S sensor chip CM5 (GE Healthcare Bio-Sciences AB, Uppsala, Sweden). The proteins were amine coupled to the sensor. The immobilization levels were 5000-6000 RU (resonance units) for wt-thrombin and blocked thrombin (thrombin-DFP). The response used for affinity calculations was the differential steady-state binding signal between wt-thrombin and the blocked thrombin (the wt-thrombin signal minus that of the blocked thrombin). For equilibrium binding responses of compounds binding to thrombin (wt minus blocked), the affinity (KD) was calculated by fitting to the equation of a single-site binding model. The thrombin inhibitor potency (IC50) was measured with a chromogenic substrate method in a robotic microplate processor, using 96-well, half-volume microtiter plates. The linear absorbance increase values were determined by measurements at 405 nm during 40 min with Melagatran as control substance. The IC50 values were calculated by fitting the data to a three parameter equation by Microsoft XLfit. 
3213	1	Measurement of hAChE Activity 	The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholine chloride as a substrate. The reaction took place in a phosphate buffer solution containing AChE and 5,5-dithiobis-2-nitrobenzoic acid (DTNB) which produces the yellow anion 5-thio-2-nitrobenzoic acid. Inhibition curves were made by incubating the reaction mixture with the different compounds for 15 min; a sample without any compound was always present to determine the 100% of enzymatic activity. After the 15 min incubation period, the production of color, as an indication of enzymatic activity, was evaluated by measuring absorbance at 412 nm in a spectrophotometer plate reader (iEMS Reader MF, Labsystems).
3213	2	Measurement of hBuChE Activity	The inhibitory activity of the compounds towards BuChE was determined following the method of Ellman using BuChE from human serum and butyrylthiocholine chloride as a substrate. The reaction took place in a phosphate buffer solution containing BuChE and 5,5-dithiobis-2-nitrobenzoic acid (DTNB) which produces the yellow anion 5-thio-2-nitrobenzoic acid. Inhibition curves were made by incubating the reaction mixture with the different compounds for 15 min; a sample without any compound was always present to determine the 100% of enzymatic activity. After the 15 min incubation period, the production of color, as an indication of enzymatic activity, was evaluated by measuring absorbance at 412 nm in a spectrophotometer plate reader (iEMS Reader MF, Labsystems).
3215	1	IKK Kinase Inhibition Assay	IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addition of GST-IKBalpha substrate/ATP to the reaction buffer containing IKK kinase and test compounds. After incubation, detection reagent containing antiphosphoserine IKBalpha monoclonal antibody labelled with europium chelate, and an APC-labelled anti-GST antibody was added. The degree of phosphorylation of GST-IKBalpha was measured using a Packard Discovery plate reader (Perkin-Elmer) as a ratio of  specific 665 nm energy transfer signal to reference europium 620 nm signal.
3217	1	In Vitro Binding Autoradiography	Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay solution containing [125I]oCRF for 2 h at room temperature. Concentration-related displacement of  test compound was assessed by including the compound in the incubation solution. The adjacent sections were incubated under the same conditions in the presence of 1 uM alpha-helical CRF for defining nonspecific binding for CRF receptor. Nonspecific binding for CRF1 receptors was defined by 1 uM DMP696 or CP-154,526. After incubation, the sections were rinsed, dried, and then placed in cassettes against iodine-sensitive storage phosphor-imaging screens (PerkinElmer Life Sciences), and the screens were then digitally scanned with a Cyclone storage phosphor-imaging system (PerkinElmer Life Sciences). Captured storage phosphor images were analyzed with OptiQuant Acquisition and Analysis software (PerkinElmer Life Sciences).
3219	1	In Vitro Binding Autoradiography	Naive rats were sacrificed by decapitation, and the brain and pituitary were collected. Slide-mounted brain sections were preincubated in an assay solution containing [125I]oCRF for 2 h at room temperature. Concentration-related displacement of  test compound was assessed by including the compound in the incubation solution. The adjacent sections were incubated under the same conditions in the presence of 1 uM alpha-helical CRF for defining nonspecific binding for CRF receptor. Nonspecific binding for CRF1 receptors was defined by 1 uM DMP696 or CP-154,526. After incubation, the sections were rinsed, dried, and then placed in cassettes against iodine-sensitive storage phosphor-imaging screens (PerkinElmer Life Sciences), and the screens were then digitally scanned with a Cyclone storage phosphor-imaging system (PerkinElmer Life Sciences). Captured storage phosphor images were analyzed with OptiQuant Acquisition and Analysis software (PerkinElmer Life Sciences).
3220	1	Homogeneous Time-Resolved Fluorescence Resonance Energy Transfer Lance Assay	AKT1 was assayed using constitutively active Myr-AKT1 in low-binding 96-well plates. The kinase reactions were initiated by the addition of assay mix containing kinase assay buffer, ATP, and a biotinylated substrate peptide. After incubation, Phosphorylated biotin-GSK3alpha was detected by the time-resolved fluorescence resonance energy transfer Lance format with all reagents obtained from Perkin-Elmer. Subsequently, the plates were read in a Victor plate reader (Wallac/Perkin-Elmer).
3221	1	Radioligand Binding Assay (Ki) and cAMP Accumulation Assay (EC50)	Radioligand binding studies were performed in buffer contains test compound, [3H]-GR113808, and receptor C6 glial cell membrane preparation. Nonspecific binding was determined with 10 uM GR113808. After incubation, the reaction was terminated by filtration through Whatman GF/B. Radioactivity was measured using a Beckman model LS6500C liquid scintillation counter. Binding data are expressed as a percentage of displacement for the screening of the library compounds. For selected compounds, Ki were analyzed by computer-assisted nonlinear regression analysis (Prism, Graphpad Software, San Diego, CA). EC50 values correspond to the concentration of agonists required to obtain half maximal stimulation of adenylyl cyclase. The maximum response produced by each molecule was normalized to the 5-HT induced. The data are the results of two or three independent determinations performed in triplicate.
3221	2	Inhibition of A-beta Fibril Formation	EC/IC50 was the effective concentration of agonist inhibiting the formation of A-beta fibrils to 50% of the control value. Three independent measurements were made for all cases.
3222	1	Radioligand Binding Assay (Ki)	Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped by rapid filtration onto a 96-well GF/B filter. Radioactivity retained on the filters was measured by liquid scintillation counting (Beckman LS 6500 apparatus). IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3224	1	Radioligand Binding Assay (Ki)	Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped by rapid filtration onto a 96-well GF/B filter. Radioactivity retained on the filters was measured by liquid scintillation counting (Beckman LS 6500 apparatus). IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3226	1	Enzyme Inhibition Assay	The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Recombinant caspase enzyme was first assayed to determine the optimal concentration for each experiment. Peptide inhibitors with known IC50 values were tested together with the compounds as a control for each caspase assay. After incubation, Amount of AMC released was determined by using a Victor microplate fluorometer (Perkin Elmer Life Sciences, Boston, MA) at excitation and emission wavelengths 355 nm and 460 nm, respectively. Compounds were tested in duplicate and IC50 curves were calculated for all inhibitors assayed. Final IC50 values were the average of 3 independent experiments.
3230	1	pfHDAC-1 Enzyme Assay	Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the candidate inhibitor concentration was varied from 0.01 nM to 10 uM. The reaction was allowed to proceed at room temperature for 15 hrs in sealed plates to minimize evaporation. The rate of product formation was determined to be linear over this time period. Fluorescence was monitored after 1 hr at excitation and emission wavelengths of 360 and 460 nm, respectively. Kinetic constants were calculated by non-linear regression fitting of the data to the Michaelis-Menten equation. Kinetic and inhibition values reported are the mean of three determinations +/- standard deviation.
3231	1	Radioligand Displacement Assay	The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (the concentrations for the half-maximal inhibition) were calculated from the dose-response curves by using the nonlinear analysis program ALLFIT.
3232	1	QR2 Inhibition Assay	The activity of recombinant human QR2 under steady-state conditions was evaluated on a MolecularDevices SpectraMax Plus 384 UV-visible spectrophotometer by monitoring the decrease in absorbance of the enzyme co-substrate NMeH at 360 nm. The inhibition assays were initiated by adding the enzyme to a reaction mixture containing NMeH, menadione and different concentrations of inhibitor. The inhibitory concentration that produces 50% inhibition (IC50 value) for each inhibitor was calculated by curve-fitting. All initial velocity data were measured in triplicate, and the mean +/- SD.
3234	1	Identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFbeta-SMMHC via a time resolved fluorescence resonance energy transfer (TR-FRET) assay.	This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by using a time resolved fluorescence resonance energy transfer (TR-FRET) assay. If an inhibitor is present, binding will not occur and the TR-FRET signal will be abated. The fluorescent CBF alpha/beta complex is incubated in black 384-well plate at room temperature for 1h. Positive control (PC) solution contained untagged CBFbeta-SMMHC.  After incubation, The plate is read on a BMG Pherastar using a Lanthascreen filter set: 337ex, 520em and 490em. TR-FRET is determined as the ratio of 520/490 signals.
3235	1	B-RAF (V600E) Kinase Inhibition Assay	The biological activities (IC50s) of the compounds were determined against the B-RAF (V600E) mutant enzyme in vitro. GST-MEK1, B-RAF (V600E), and inhibitor were added to the wells of glutathione-coated plate, and the plate was preincubated for 10 min. ATP was added to each well, and the plates were incubated for 45 min. Primary antibody (rabbit anti-phospho MEK1/2) and Eu-labeled anti-rabbit secondary antibody were added to the plates. After incubation, DELFIA enhancement solution (Perkin-Elmer, Turku, Finland) was added. The europium counts were measured on a Victor 2 reader (Perkin-Elmer, Turku, Finland).
3237	1	Enzyme Inhibition Measurements	Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room temperature for 1 h, and enzymatic activity was measured after addition of substrate in a Spectramax Gemini fluorescence plate reader (Molecular Devices, Sunnyvale, CA). IC50 values were calculated using the Microsoft Excel extension XL-fit.
3238	1	Enzyme Inhibition Assay	Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in each assay. Quantification of substrate cleavage was assessed using an LJL analyst spectrophotometer (485nm excitation, 535nm emission).
3240	1	Enzyme Inhibition Assay	Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in each assay. Quantification of substrate cleavage was assessed using an LJL analyst spectrophotometer (485nm excitation, 535nm emission).
3243	1	Enzyme Inhibition Assay	Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in each assay. Quantification of substrate cleavage was assessed using an LJL analyst spectrophotometer (485nm excitation, 535nm emission).
3245	1	PKC theta IMAP Kinase Assay	All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well plate (Corning Costar 3710). The fluorescence polarization was measured on an Envision 2100 (PerkinElmer Life Sciences).
3246	1	11beta-HSD1 Homogeneous Time-Resolved Fluorescence (HTRF) Assay	11beta-HSD1 enzyme activity was assessed in buffer containing a substrate mixture cortisone/NADPH in the presence of test compound. Reaction was initiated by addition of 11beta-HSD1 and terminated with addition of 18beta-glycyrrhetinic acid stop solution. Determinations of cortisol levels were monitored by HTRF assay (Cisbio International).
3246	2	11beta-HSD2 Homogeneous Time-Resolved Fluorescence (HTRF) Assay	11beta-HSD2 enzyme activity was assessed in buffer containing NAD, test compound, and human recombinant 11beta-HSD2 expressed in E. coli. Reaction was initiated by addition of cortisol and terminated with addition of carbenoxolone stop solution after 60 min incubation at room temperature. Determinations of remaining cortisol levels were monitored by HTRF assay (Cisbio International).
3247	1	Measurement of 11beta-HSD1 Activity 	The enzyme assay was performed in a round-bottom 96-well plate. The enzyme was pre-incubated in the assay buffer in the presence of NADPH and inhibitor. Next, the reaction is initiated by adding a regenerating system (consisting of glucose-6-phosphate, glucose-6-phosphate dehydrogenase, and MgCl2), and labeled 3H-cortisone substrate. After the incubation, the substrate and product peaks are separated and analyzed by using an HPLC system. The initial reaction velocities recorded were in the linear range and were determined by measuring the peak area for cortisol formation with time. The inhibition of 11beta-HSD was analyzed by fitting the data to an equation to determine apparent inhibition constant Ki.   
3248	1	Scintillation Proximity Assay	The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement binding experiments. The inhibition constant (Ki) was calculated from IC50 value by the Cheng and Prusoff equation.
3251	1	Tpl2/Cot ELISA Assay	Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by an ELISA. The kinase reaction was carried out in 96-well plates.  After the reaction was stopped, the entire reaction mix was transferred to the detection plate, a 96-well Immunosorb plate that had been precoated with anti-GST antibody (Amersham), and then subsequently incubated with anti- phospho-MEK1 antibody (Cell Signaling), and DELFIA Europium (Eu) labeled goat anti-rabbit IgG (Perkin-Elmer). The Eu signal was measured in a Wallac Victor Multilabel Counter. Data were imported into Excel and IC50 calculations were performed using the Xlfit (IDBS) software package.
3253	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The activity of renin inhibitors in vitro was measured using the FRET assay, which was carried out in flat-bottom white opaque microtiter plates. The renin substrate in assay buffer was added to test compound in DMSO at various concentrations ranging from 10 uM to 1 nM. The trypsin-activated recombinant human renin was added to initiate the reaction. The increase in fuorescence at 495 nm (excitation at 340 nm) was measured for 60-360 min at room temperature using a Perkin-Elmer Fusion microplate reader. The slope of a linear portion of the plot of fuorescence increases as a function of time was then determined, and the rate was used to calculate % inhibition in relation to uninhibited control. The % inhibition values were plotted as a function of inhibitor concentration, and the IC50 was determined from a fit of this data to a four parameter equation. The IC50 is defined as the concentration of a particular inhibitor that reduces the formation of product by 50% relative to a control sample containing no inhibitor. 
3255	1	In Vitro Binding Assay (IC50) and In Vitro Agonism/Antagonism Measurements (EC50/IC50) 	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation. IC50 values are calculated using GraphPad Prism. Agonist/antagonist activities were measured by the [35S]GTPgamma-S binding to proteins using membrane fractions of CHO cells expressing ORL1. Nonspecific binding is determined in the presence of 10 uM unlabeled GTPgammaS. Membrane-bound radioactivity is measured using a TopCount-HTS (PerkinElmer). Specific binding of [35S]GTPgammaS is determined as a difference between the control (in the presence of appropriate concentration of nociceptin), and the baseline (in the presence of DMSO instead of compound). EC50/IC50 values are calculated from % of specific binding in the presence of various concentration of the compound using GraphPad Prism 3.03.
3255	2	Radioligand Binding Assay	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation.  IC50 values are calculated using GraphPad Prism (Ver.3.03).
3255	3	hERG Radioligand Binding Assay	Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably transfected with the hERG gene and expressing I (Kr) channel protein. The reaction mixture was incubated at room temperature for 75 min., and then filtered through GF/B Unifilters (Packard). Radioactivity was counted in Topcount (Packard).   
3257	1	In Vitro Binding Assay (IC50) and In Vitro Agonism/Antagonism Measurements (EC50/IC50) 	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation. IC50 values are calculated using GraphPad Prism. Agonist/antagonist activities were measured by the [35S]GTPgamma-S binding to proteins using membrane fractions of CHO cells expressing ORL1. Nonspecific binding is determined in the presence of 10 uM unlabeled GTPgammaS. Membrane-bound radioactivity is measured using a TopCount-HTS (PerkinElmer). Specific binding of [35S]GTPgammaS is determined as a difference between the control (in the presence of appropriate concentration of nociceptin), and the baseline (in the presence of DMSO instead of compound). EC50/IC50 values are calculated from % of specific binding in the presence of various concentration of the compound using GraphPad Prism 3.03.
3257	2	Radioligand Binding Assay	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation.  IC50 values are calculated using GraphPad Prism (Ver.3.03).
3257	3	hERG Radioligand Binding Assay	Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably transfected with the hERG gene and expressing I (Kr) channel protein. The reaction mixture was incubated at room temperature for 75 min., and then filtered through GF/B Unifilters (Packard). Radioactivity was counted in Topcount (Packard).   
3258	1	In Vitro Binding Assay (IC50) and In Vitro Agonism/Antagonism Measurements (EC50/IC50) 	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation. IC50 values are calculated using GraphPad Prism. Agonist/antagonist activities were measured by the [35S]GTPgamma-S binding to proteins using membrane fractions of CHO cells expressing ORL1. Nonspecific binding is determined in the presence of 10 uM unlabeled GTPgammaS. Membrane-bound radioactivity is measured using a TopCount-HTS (PerkinElmer). Specific binding of [35S]GTPgammaS is determined as a difference between the control (in the presence of appropriate concentration of nociceptin), and the baseline (in the presence of DMSO instead of compound). EC50/IC50 values are calculated from % of specific binding in the presence of various concentration of the compound using GraphPad Prism 3.03.
3258	2	Radioligand Binding Assay	Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor.  Bound and free radioligands are separated by filtration using a unifilter plate GF/C-96. The remaining radioactivity on the filter was counted using a TopCount-HTS (PerkinElmer). Specific binding of [125I][Tyr14]nociceptin is defined as the difference between total binding and nonspecific binding in the presence of 1 uM nociceptin. J-113397 was used as internal control across all assay plates for internal validation.  IC50 values are calculated using GraphPad Prism (Ver.3.03).
3260	1	PDE4A Inhibition Assay	Inhibition of PDE4A was performed using IMAP technology (Molecular Devices, CA). PDE4A1A mixture was dispensed into 1536-well black/solid bottom assay plates (Greiner Bio-One North America, NC) using a Flying Reagent Dispenser (Aurora Discovery, CA). The plates were centrifuged at 1000 rpm for 30s and compound was transferred to the assay plate using a Kalypsys pin tool. After incubation, cAMP was dispensed into the plates to initiate the reaction. IMAP binding reagent was then added to the assay plate after the reaction. The fluorescence polarization (FP) signal (Ex=485 nm, Em= 530 nm) was measured on Viewlux plate reader (Perkin Elmer, MA)
3264	1	PDE4 Enzyme Assay	The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to each sample after reactions were stopped.  The reaction products were separated by anion-exchange chromatography performed on AGl-X8 resin, and the amount of unbound [3H] adenosine was collected and quantified by scintillation counting. 
3264	2	Radioligand Binding Assay (Ki) and Inhibition of Substrate Uptake (EC50/IC50)	Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated with compound before the addition of [125I]RTI-55. The reaction was terminated by filtration through Whatman GF/C filters using a 96-well Tomtech cell harvester (Tomtech, Orange, CT). Scintillation fluid was added to each filter spot and radioactivity remaining on the filter was determined using a Wallace beta-plate reader. IC50 values were converted to Ki values using the Cheng-Prusoff equation. Specific binding was defined as the difference in binding observed in the presence and absence of 5 uM mazindol (HEK-hDAT and -NET) or 5 uM imipramine (HEK-hSERT). EC50/IC50 values were obtained from inhibition of the reuptake of [3H] dopamine for DAT, [3H] serotonin for SERT, or [3H] norepinephrine for NET.
3266	1	TACE Inhibition Assay	Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonance energy transfer (FRET) assay. The human TACE protein was pretreated with the inhibitors for 10 min at room temperature. The reaction was initiated by the addition of pro-TNF-alpha peptide to the TACE protein, and the increase in fluorescence was monitored at excitation of 320 nm and emission of 420 nm over a period of 10 min. Under this assay condition, the IC50 value is very close to the Ki value.
3269	1	Radioligand Binding Assay (IC50) and Functional Assay (EC50/IC50)	Compounds were evaluated for their binding affinity to the membranes of CHO-K1 cells expressing human MCH1R (hMCH1R) in a competition binding assay with [125I]-MCH as the radioligand. After incubation, the membranes were filtrated onto GF/C filter plates and dried. The radioactivity was counted using a microplate scintillation counter (TopCount, PerkinElmer). Non-specific binding was determined by including 1 uM unlabeled MCH in the binding reaction. Antagonistic activity (EC50/IC50) was estimated by the inhibitory effect of compounds on intracellular calcium mobilization induced by MCH using a FLIPR in CHO-K1 cells expressing human MCH1R. The cells were treated with the test compounds for 5 min before addition of MCH.
3269	2	Radioligand Binding Assay	Compounds were evaluated for their binding affinity to the membranes of CHO-K1 cells expressing human MCH1R (hMCH1R) in a competition binding assay with [125I]-MCH as the radioligand. After incubation, the membranes were filtrated onto GF/C filter plates and dried. The radioactivity was counted using a microplate scintillation counter (TopCount, PerkinElmer). Non-specific binding was determined by including 1 uM unlabeled MCH in the binding reaction. 
3270	1	MK-2 IC50 Value Determination	The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in reaction buffer containing enzyme and test compound in the presence of the HSP-peptide with [gamma-33P]ATP /ATP. After the reaction was terminated and [gamma-33P]ATP was removed from solution by the addition of AG 1X8 ion exchange resin. An aliquot was removed from the quenched reaction mixture and added to a 96-well plate. Microscint-40 (Packard) was added and the amount of phosphorylated-peptide was determined. 
3270	2	Kinase Selectivity Assay	Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported as the means of 2-3 experiments with a standard deviation of less than 3-fold.
3272	1	Dissociation-Enhanced Lanthanide Fluorescent Immunoassay (DELFIA)	Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ATP. The plates were washed, and diluted Eu-chelated anti-phospho-LSP1 IgG1 antibody was added to the plates. After incubation, the plate was washed prior to the addition of DELFIA enhancement solution, and read after 15 min at ex = 360 nm and em = 620 nm.
3275	1	Dissociation-Enhanced Lanthanide Fluorescent Immunoassay (DELFIA)	Diluted compounds and activated GST-MK2 were incubated in neutravidin coated plates (Pierce) in reaction buffer containing biotinylated GST-LSP1 and ATP. The plates were washed, and diluted Eu-chelated anti-phospho-LSP1 IgG1 antibody was added to the plates. After incubation, the plate was washed prior to the addition of DELFIA enhancement solution, and read after 15 min at ex = 360 nm and em = 620 nm.
3277	1	MK2 Enzyme Inhibition Assay	For MK2 inhibition, reactions contained compound or vehicle control, hsp27 peptide substrate and activated MK2 mix containing ATP. After incubation, samples were transferred to black 384-well plates for detection of  phosphorylated hsp27 by time-resolved fluorescence resonance energy transfer using an antibody mix containing a rabbit anti-phospho-hsp27 (Ser82) antibody, and anti-rabbit europium-labeled secondary antibody LANCE Eu-W1024 (Perkin Elmer) as fluorescence donor along with streptavidin SureLight-APC (Perkin Elmer) as acceptor. Following incubation at room temperature for 90 min, the FRET ratio 665/620 nm was determined. Individual IC50 values of compounds were determined by nonlinear regression after fitting of curves to the experimental data using Excel XL fit 4.0 (Microsoft).
3278	1	HTRF Coactivator Recruitment Assay	To each well of a 96-well assay plate, assay buffer was added containing purified GST-FXR, Eu-labeled anti-GST antibody (Perkin-Elmer), streptavidin-XL665 (Packard Instruments), biotin-tagged SRC-1 fragment. The binding reaction was initiated by the addition of compound. The plate fluorescence was read in a Discovery instrument (Packard) using an excitation wavelength of 337 nm and monitoring emission wavelengths of 620 and 665 nm. Data was expressed as the ratio of emission at 665/620 nm, were normalized with control wells to which 1 ul of DMSO was added instead of compound, and percentage maximal activity was calculated relative to controls with a saturating concentration (150 uM) of chenodeoxycholic acid (CDCA, Sigma-Aldrich).
3279	1	FXR Ligand-Seeking Assay	The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophycocyanin-labeled streptavidin and biotinylated SRC-1 coupled to Europium-labeled streptavidin. The EC50 values are the mean of at least two assays. Maximum percent efficacy of the test compound is relative to FXR activation via GW 4064. 
3280	1	Scintillation Proximity Assay	Binding affinity (IC50) was evaluated using scintillation proximity assay with radiolabeled ligand and biotinylated receptor. Because the scintillant is contained within the SPA bead, only radiolabel that is attached to the bead is detected. The receptor-ligand complex is bound to the bead through interaction between the biotinylated receptor and the streptavidin moiety located on the surface of the bead.
3281	1	Determination of MMP-13 Activity	Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solution and the diluted enzyme were combined at room temperature. After 10 min, the activity was assayed by adding assay buffer containing substrate, and continuously monitoring the increase in fluorescence (ex@380 nm;em@440 nm) of the hydrolysis product, MCA-Pro-Leu. The enzyme activity was defined as the change in fluorescence value measured in a 6 min interval divided by 6. The IC50 value was determined by plotting % inhibition of activity vs inhibitor concentration.
3286	1	NS5B Polymerase Inhibition Assay (IC50) 	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value.
3286	2	NS5B Polymerase Inhibition Assay (IC50) and HCV Replicon Assay (EC50)	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value. The exponentially growing HCV Huh-7/C24 replicon cells were seeded at 4500 cells/well in 96-well plates and 24 h later cells were treated with eight point half-log concentration of compound. After 72 h exposure, the cell monolayers were lysed, and each lysate was then analyzed by bDNA assay to determine EC50. The estimated average standard deviation for EC50 data is 56% from the mean value.
3287	1	NS5B Polymerase Inhibition Assay (IC50) and HCV Replicon Assay (EC50)	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value. The exponentially growing HCV Huh-7/C24 replicon cells were seeded at 4500 cells/well in 96-well plates and 24 h later cells were treated with eight point half-log concentration of compound. After 72 h exposure, the cell monolayers were lysed, and each lysate was then analyzed by bDNA assay to determine EC50. The estimated average standard deviation for EC50 data is 56% from the mean value.
3287	2	NS5B Polymerase Inhibition Assay (IC50) 	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value.
3288	1	NS5B Polymerase Inhibition Assay	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation.
3289	1	NS5B Polymerase Inhibition Assay (IC50) and HCV Replicon Assay (EC50)	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value. The exponentially growing HCV Huh-7/C24 replicon cells were seeded at 4500 cells/well in 96-well plates and 24 h later cells were treated with eight point half-log concentration of compound. After 72 h exposure, the cell monolayers were lysed, and each lysate was then analyzed by bDNA assay to determine EC50. The estimated average standard deviation for EC50 data is 56% from the mean value.
3289	2	NS5B Polymerase Inhibition Assay (IC50) 	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value.
3290	1	NS5B Polymerase Inhibition Assay (IC50) and HCV Replicon Assay (EC50)	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value. The exponentially growing HCV Huh-7/C24 replicon cells were seeded at 4500 cells/well in 96-well plates and 24 h later cells were treated with eight point half-log concentration of compound. After 72 h exposure, the cell monolayers were lysed, and each lysate was then analyzed by bDNA assay to determine EC50. The estimated average standard deviation for EC50 data is 56% from the mean value.
3290	2	NS5B Polymerase Inhibition Assay (IC50) 	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value.
3292	1	NS5B Polymerase Inhibition Assay (IC50) and HCV Replicon Assay (EC50)	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value. The exponentially growing HCV Huh-7/C24 replicon cells were seeded at 4500 cells/well in 96-well plates and 24 h later cells were treated with eight point half-log concentration of compound. After 72 h exposure, the cell monolayers were lysed, and each lysate was then analyzed by bDNA assay to determine EC50. The estimated average standard deviation for EC50 data is 56% from the mean value.
3292	2	NS5B Polymerase Inhibition Assay (IC50) 	Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration varied over a suitable range. The reaction was stopped by aspiration after 75 min incubation and the plate was washed. After washing and drying the plate, incorporated radioactivity was counted using a Microbeta scintillation counter. IC50 values were calculated relative to the uninhibited control and inhibition data were fitted to a 4-parameter IC50 equation. The estimated average standard deviation for IC50 data is 32% from the mean value.
3295	1	uHTS identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFb-SMMHC via a fluorescence resonance energy transfer (FRET) assay.	This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential therapeutic approach for inv(16) related leukemia. This is accomplished by using a fluorescence resonance energy transfer (FRET) assay. When added together Cerulean-Runt domain and Venus-CBFbeta-SMMHC will bind and allow for energy transfer. If an inhibitor is present, binding will not occur and the FRET signal will be abated. The fluorescent CBF alpha/beta complex is incubated in black 1536-well plate at room temperature for 1h. Positive control (PC) solution contained untagged CBFbeta-SMMHC. After incubation, the plate is read on a BMG Pherastar 422ex, 530em and 480em. The FRET signal is determined as the ratio of 530/480 signals. IC50 value was determined using sigmoidal dose response equation.
3296	1	Confirmation of compounds inhibiting the binding between the RUNX1 Runt domain and CBFb-SMMHC via a time resolved fluorescence resonance energy transfer (TR-FRET) assay.	This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by using a time resolved fluorescence resonance energy transfer (TR-FRET) assay. If an inhibitor is present, binding will not occur and the TR-FRET signal will be abated. The fluorescent CBF alpha/beta complex is incubated in black 384-well plate at room temperature for 1h. Positive control (PC) solution contained untagged CBFbeta-SMMHC. After incubation, The plate is read on a BMG Pherastar using a Lanthascreen filter set: 337ex, 520em and 490em. TR-FRET is determined as the ratio of 520/490 signals. This dose response assay is developed and performed to confirm hits originally identified in "Identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFbeta-SMMHC via a time resolved fluorescence resonance energy transfer (TR-FRET) assay"(AID 1438) and to study the structure-activity relationship on analogs of the conf
3297	1	Confirmation  of compounds inhibiting the binding between the RUNX1 Runt domain and CBFb-SMMHC via a fluorescence resonance energy transfer (FRET) assay	This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by using a time resolved fluorescence resonance energy transfer (TR-FRET) assay. If an inhibitor is present, binding will not occur and the TR-FRET signal will be abated. The fluorescent CBF alpha/beta complex is incubated in black 384-well plate at room temperature for 1h. Positive control (PC) solution contained untagged CBFbeta-SMMHC. After incubation, The plate is read on a BMG Pherastar using a Lanthascreen filter set: 422ex, 530em and 480em. TR-FRET is determined as the ratio of 530/480 signals. This dose response assay was developed and performed to confirm hits originally identified in "uHTS identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFbeta-SMMHC via a fluorescence resonance energy transfer (FRET) assay" (AID 1434) and to study the structure-activity relationship on analogs of the confirmed hits
3298	1	Dose Response Assay for Agonists of 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1A (5HT1A)	A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under control of the nuclear factor of activated T-cells (NFAT) promoter was used to measure 5-HT1a agonism. When the 5-HT1a receptor is agonized, transcription of the NFAT-BLA gene occurs via a Ga15 protein coupled signaling cascade. The amount of BLA activity is proportional to the concentration of agonist. BLA activity was measured with a fluorescent BLA substrate. The assay was conducted in 1536-well format. Each compound dilution series was assayed in triplicate. All data reported were normalized on a per-plate basis to wells that contained cells in the presence of 5-CT at a concentration equal to its EC100. A Chinese Hamster Ovary (CHO) cell line stably transfected with human 5HT1a receptor, the nuclear factor of activated T-cell-beta lactamase (NFAT-BLA) reporter construct and the G-alpha-15 promiscuous coupling protein was used.
3299	1	Dose Response Assay for Agonists of 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1A (5HT1A)	A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under control of the nuclear factor of activated T-cells (NFAT) promoter was used to measure 5-HT1a agonism. When the 5-HT1a receptor is agonized, transcription of the NFAT-BLA gene occurs via a Ga15 protein coupled signaling cascade. The amount of BLA activity is proportional to the concentration of agonist. BLA activity was measured with a fluorescent BLA substrate. The assay was conducted in 1536-well format. Each compound dilution series was assayed in triplicate. All data reported were normalized on a per-plate basis to wells that contained cells in the presence of 5-CT at a concentration equal to its EC100. A Chinese Hamster Ovary (CHO) cell line stably transfected with human 5HT1a receptor, the nuclear factor of activated T-cell-beta lactamase (NFAT-BLA) reporter construct and the G-alpha-15 promiscuous coupling protein was used.
3300	1	Dose Response Assay for Agonists of 5-Hydroxytryptamine (Serotonin) Receptor Subtype 1A (5HT1A)	A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under control of the nuclear factor of activated T-cells (NFAT) promoter was used to measure 5-HT1a agonism. When the 5-HT1a receptor is agonized, transcription of the NFAT-BLA gene occurs via a Ga15 protein coupled signaling cascade. The amount of BLA activity is proportional to the concentration of agonist. BLA activity was measured with a fluorescent BLA substrate. The assay was conducted in 1536-well format. Each compound dilution series was assayed in triplicate. All data reported were normalized on a per-plate basis to wells that contained cells in the presence of 5-CT at a concentration equal to its EC100. A Chinese Hamster Ovary (CHO) cell line stably transfected with human 5HT1a receptor, the nuclear factor of activated T-cell-beta lactamase (NFAT-BLA) reporter construct and the G-alpha-15 promiscuous coupling protein was used.
3301	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3302	1	Inhibition of 5-LO Product Formation in Cell-Free Systems (IC50) and in Intact Neutrophils (EC50/IC50)	For determination of the activity of 5-LO in 40000g supernatant (S40), aliquots of the supernatants were added to reaction mix, and were preincubated with the test compounds before arachidonic acid was added to start 5-LO product formation. Formed 5-LO metabolites were extracted and analyzed by HPLC. 5-LO product includes LTB4 and its all-trans isomers, and 5(S)-hydro(pero)xy-6-trans- 8,11,14-cis-eicosatetraenoic acid. IC50s are expressed as mean +/- SE, obtained from measurements at 4-5 different concentrations of test compounds, and determined using Graphpad Instat (Graphpad Software Inc., San Diego, CA). EC50/IC50 values were obtained from product formation in intact neutrophils. 
3304	1	DAAO in Vitro Activity Assay	Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to oxidation of Amplex Red in the presence of horseradish peroxidase (HRP). Inhibitor compounds are diluted in half log increments to create an 11-point dose response curve. Each dilution is spotted in duplicate into black 384-well plates. The assay buffer containing DAAO, flavin adenine dinucleotide, horseradish peroxidase, and Amplex Red were added to each well of the plate using a Titertek MultiDrop-384 reagent addition device. Next, assay buffer containing D-serine was added using the MultiDrop. The reaction was then incubated in the dark for10-30 min before reading the plates on a Perkin-Elmer Envision 2103 multilabel reader using the following settings: 10 flashes of the flash lamp, excitation filter 530 nm, emission filter 590 nm. The nonlinear curve fitting was used to calculate an IC50 value for each compound.
3304	2	Biacore Binding of DAAO Inhibitors	Binding affinity and kinetics were measured using biotinylated recombinant human DAAO bound to a Neutravidin surface in a Biacore binding assay. A custom Neutravidin surface was generated using standard amine coupling methods from Biacore on a CM5 sensor chip. An enzymatically biotinylated human DAAO was immobilized onto the Neutravidin surface to a level of ~9000 Ru. Binding studies were performed in a Biacore 3000 (GE Healthcare) instrument. Compounds were injected at three concentrations, and binding responses were processed using Scrubber 2 (BioLogic Software, Inc.) to align and double reference the data. The kinetic data were fit globally to a simple 1:1 interaction model using Biaeval (GE Healthcare) to obtain the rate constants and affinity.
3307	1	FRET Assay	For the FRET measurements, the Cerulean-Runt (Runx1 41-190) and Venus-CBFbeta (1-141) fusion proteins were dialyzed into FRET assay buffer. Protein concentrations were determined by UV absorption at 433 nm for Cerulean-Runt and 513 nm for Venus-CBFbeta. Equal molar concentrations of the two proteins were mixed together, diluted to 150 nM with FRET assay buffer containing 0.1% BSA, and incubated for 1 hr. A PHERAstar microplate reader (BMG Labtech, Durham, NC, USA) was used to measure fluorescence (excitation at 433 nm and emission measured at 474 and 525 nm). For IC50 determinations, the ratios of the fluorescence intensities at 525 nm and 474 nm were plotted versus the log of compound concentration, and the resulting curve was fit to a sigmoidal curve using Origin 7.0 (MicroCal, Northampton, MA, USA). Mean values of IC50 originating from two independent measurements performed in duplicate together with the standard deviations are reported.
3309	1	Fluorescence Polarization-Based (FP-Based) Binding Assay	The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples and preincubated MDM2 protein and PMDM6-F peptide were added in Dynex 96-well, black, round-bottom plates (Fisher Scientific). For each assay, the controls included the MDM2 protein and PMDM6-F (equivalent to 0% inhibition), only PMDM6-F peptide (equivalent to 100% inhibition). The polarization values were measured after 3 hrs of incubation using an ULTRA READER (Tecan U.S. Inc., Research Triangle Park, NC). The IC50 values, i.e. the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using GRAPHPAD PRISM software (GraphPad Software, Inc., San Diego, CA). To calculate the binding affinity constants (Ki) of inhibitors, a web-based computer program was developed for computing the Ki values for inhibitors in FP-based binding assays based upon an equation.
3310	1	Fluorescence Polarization-Based (FP-Based) Binding Assay	The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples and preincubated MDM2 protein and PMDM6-F peptide were added in Dynex 96-well, black, round-bottom plates (Fisher Scientific). For each assay, the controls included the MDM2 protein and PMDM6-F (equivalent to 0% inhibition), only PMDM6-F peptide (equivalent to 100% inhibition). The polarization values were measured after 3 hrs of incubation using an ULTRA READER (Tecan U.S. Inc., Research Triangle Park, NC). The IC50 values, i.e. the inhibitor concentration at which 50% of bound peptide is displaced, were determined from a plot using nonlinear least-squares analysis. Curve fitting was performed using GRAPHPAD PRISM software (GraphPad Software, Inc., San Diego, CA). To calculate the binding affinity constants (Ki) of inhibitors, a web-based computer program was developed for computing the Ki values for inhibitors in FP-based binding assays based upon an equation.
3311	1	Fluorescence Polarization (FP) Binding Assay	Ki values were determined from a competition experiment in which serial dilutions of inhibitor were added to compete against a fixed concentration (1 or 10 nM) of the fluorescent ligand for binding to a fixed concentration of the protein. Ki value was determined by nonlinear regression fitting of the competition curve using a set of custom equations and an Excel curve fitting tool.
3312	1	MDM2-p53 Interaction Using a 96-Well Plate Binding Assay (ELISA)	For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concentrations of 500 uM, 100 uM, and 20 uM in the assay. Control samples consisted of 5% DMSO carrier alone as a negative control and 100 nM active peptide (AP-B: Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3-Leu-NH2) as a positive control peptide antagonist of the MDM2-p53 interaction (IC50 = 5 nM). Compounds and controls aliquoted in 96-well plates were preincubated with in vitro translated MDM2, before transfer of the MDM2-compound mixture to the b-IP3 streptavidin plates, and incubation at 4 deg C for 90 min. After washing with PBS and subsequently incubating with primary mouse monoclonal anti-MDM2 antibody and goat-anti-mouse horseradish peroxidase (HRP) conjugated secondary antibody. The bound HRP activity was measured by enhanced chemiluminescence (ECL, Amersham Biosciences) using the oxidation of the diacylhydrazide substrate, luminol, to generate a quantifiable light signal. The luminol substrate together with enhancer was automatically injected into each well and the relative luminescence units (RLU) measured over a 30 s interval using a Berthold MicroLumat-Plus LB 96 V microplate luminometer. The IC50 was calculated using a plot of % MDM2 inhibition versus concentration and is the average of three independent experiments. 
3314	1	AlphaScreen Assay	When two proteins interact (one of which is conjugated to the donor bead and the other to the acceptor bead) the beads are brought into close proximity. Excitation of a photosensitizer in the donor bead results in the production of singlet oxygen that diffuses to and reacts with a chemiluminescent molecule in the acceptor bead. This results in the activation of fluorophores in the acceptor bead which results emitted light that can be detected. In this assay, GST-MDM2 (1-150) and full-length His6-wt-p53 were expressed in E. coli and affinity purified under non-denaturing conditions. To detect the MDM2-p53 interaction by the AlphaScreen assay (Perkin Elmer), GST-MDM2, His6-p53, and potential inhibitors were mixed in binding buffer, and incubated for 1 h at 24 deg C. Nickel acceptor beads and glutathione donor beads were added. Following 1 h incubation at 24 deg C, the mixture was analyzed in a fluorometer at an excitation wavelength of 680 nm. Nutlin-3a obtained from Cayman Chemical was used as a control. The IC50 values reported are from runs repeated four times.
3315	1	p53-MDM2 Binding ELISA	Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). Human MDM2 (amino acids 1-118) was preincubated with 10% DMSO or compounds in assay buffer. After 15-min incubation of the sample, a biotinylated p53-derived peptide was added. As a negative control, buffer only was added into separate wells (blanks). After another 30 min, the incubation mixture was added to 96-well plates coated with streptavidin. After 1 h, the wells were extensively washed. Then, the MDM2 specific antibody was added. After 1 h, the wells were thoroughly washed and the secondary antibody (anti-rabbit-IgG-POD) was added. After another hour, the wells were washed, and the peroxidase subtrate ABTS was added. After 30 min, OD 405/490 nm was determined with a Dynatech MR 7000 ELISA reader. Compounds were titrated to determine IC50 values twice (range of compound concentration: 0.5, 1, 5, 10, 25, 50, 125, 250 uM).
3315	2	NMR Titration Experiment	NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 samples in a series of HSQC spectra as a function of a ligand concentration.  The complexes of human MDM2 and the chalcones were prepared by mixing the protein and the ligand in the NMR tube. Typically, NMR spectra were recorded 15 min after mixing at room temperature. An initial screening of all compounds used in this study was performed with a 10-fold molar excess of chalcone to human MDM2. All subsequent titrations were carried out until no further shifts were observed in the spectra. All KD values obtained by NMR spectroscopy are based on at least six data points.
3316	1	ELISA-Based p53-MDM2 Binding Assay	ELISA plates were coated with equivalent amounts of either glutathione S-transferase (GST) protein or GST-MDM2 (1-188) fusion protein and incubated on a microtiter plate shaker overnight at 4 deg C. After washing the wells five times with PBS containing 0.2 M NaCl, the plates were incubated at 37 deg C with blocking solution (PBS containing 5% nonfat dry milk) for 2 hours. After the plates were washed five times, the GST-p53 was added, and the plates were incubated for an additional 30 minutes at 37 deg C. After another washing step, the plates were incubated with the anti-p53 monoclonal pAb421 (Oncogene Science, Inc.) in blocking solution for 1 hour at 37 deg C. The plates were again washed five times and incubated for 1 hour at 37 deg C with a goat anti-mouse IgG alkaline phosphatase conjugate (Promega, Inc.). Excess antibody was removed with 15 washes, the wells were filled with PBS, and the absorbance at 405 nm was read to establish background readings for the wells. After aspiration of the PBS, coupled antibody was incubated with p-nitrophenyl phosphate reagent solution (Sigma-Aldrich, Inc.). Finally, the A405 was measured with a microplate spectrophotometer (Molecular Devices, Inc.). Data analysis was performed using Microsoft Excel 98 (Microsoft Corp.) and DeltaGraph Pro (DeltaPoint, Inc.). Absorbance values were normalized by subtraction of equivalent GST-seeded well values from their GST-mdm2 (1-188)-seeded neighbors. IC50 values were determined by fitting data to a three-parameter sigmoidal dose-response function. 
3317	1	Fluorescent Peptide Displacement Assay 	Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The polarization of the fluorescein label was measured by excitation at 485 nm and emission at 530 nm. Percent inhibition was calculated from the decrease in the fluorescence polarization of the labeled peptide upon displacement from HDM2 by the compounds, using buffer with Fl 9mer but without HDM2 as background. Data were analyzed by non-linear least squares fitting to a hyperbolic binding function. The measured IC50s of the p53 wild-type (QETFSDLWKLLP) and optimized (MPRFMDYWEGLN) peptides are 2000 and 250 nM, respectively. Under these conditions, the IC50 is 2.5 fold higher than the dissociation binding constant (Kd).
3318	1	Fluorescent Peptide Displacement Assay 	Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The polarization of the fluorescein label was measured by excitation at 485 nm and emission at 530 nm. Percent inhibition was calculated from the decrease in the fluorescence polarization of the labeled peptide upon displacement from HDM2 by the compounds, using buffer with Fl 9mer but without HDM2 as background. Data were analyzed by non-linear least squares fitting to a hyperbolic binding function. The measured IC50s of the p53 wild-type (QETFSDLWKLLP) and optimized (MPRFMDYWEGLN) peptides are 2000 and 250 nM, respectively. Under these conditions, the IC50 is 2.5 fold higher than the dissociation binding constant (Kd).
3319	1	Fluorescent Peptide Displacement Assay 	Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The polarization of the fluorescein label was measured by excitation at 485 nm and emission at 530 nm. Percent inhibition was calculated from the decrease in the fluorescence polarization of the labeled peptide upon displacement from HDM2 by the compounds, using buffer with Fl 9mer but without HDM2 as background. Data were analyzed by non-linear least squares fitting to a hyperbolic binding function. The measured IC50s of the p53 wild-type (QETFSDLWKLLP) and optimized (MPRFMDYWEGLN) peptides are 2000 and 250 nM, respectively. Under these conditions, the IC50 is 2.5 fold higher than the dissociation binding constant (Kd).
3320	1	Fluorescent Peptide Displacement Assay 	Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The polarization of the fluorescein label was measured by excitation at 485 nm and emission at 530 nm. Percent inhibition was calculated from the decrease in the fluorescence polarization of the labeled peptide upon displacement from HDM2 by the compounds, using buffer with Fl 9mer but without HDM2 as background. Data were analyzed by non-linear least squares fitting to a hyperbolic binding function. The measured IC50s of the p53 wild-type (QETFSDLWKLLP) and optimized (MPRFMDYWEGLN) peptides are 2000 and 250 nM, respectively. Under these conditions, the IC50 is 2.5 fold higher than the dissociation binding constant (Kd).
3324	1	Fluorescence Polarization Assay	Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were measured at 25 deg C using 10.0 nm slit widths. Excitation at 495 nm was used for the fluorescein-containing peptide Fl-Bak and the emission maximum at 535 nm was monitored. Polarization measurements were recorded upon titration of inhibitors at varying concentrations into a solution of Fl-Bak and Bcl-xL. Regression analysis was carried out using SigmaPlot 2001 (Systat Co.) ligand binding macro module. Experimental data were fitted to determine the IC50 values, which can be related to the known affinity of the 16-mer Bak peptide (Kd =120 nM) to acquire the inhibitory constant Ki.
3326	1	Fluorescence Polarization Assay	Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were measured at 25 deg C using 10.0 nm slit widths. Excitation at 495 nm was used for the fluorescein-containing peptide Fl-Bak and the emission maximum at 535 nm was monitored. Polarization measurements were recorded upon titration of inhibitors at varying concentrations into a solution of Fl-Bak and Bcl-xL. Regression analysis was carried out using SigmaPlot 2001 (Systat Co.) ligand binding macro module. Experimental data were fitted to determine the IC50 values, which can be related to the known affinity of the 16-mer Bak peptide (Kd =120 nM) to acquire the inhibitory constant Ki.
3327	1	In Vitro PFT Activity Assay	In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ras (PFT). The 60,000g post-microsomal supernatant from Daudi cells was incubated in the presence of increasing concentration of compound, H-Ras substrate, and [3H] FPP. Samples were TCA-precipitated and then filtered onto glass fiber filters; unbound [3H] FPP was washed through the filters. Samples were counted on a scintillation counter and activity compared to vehicle controls to obtain IC50 values.
3327	2	PfPFT IC50 Determination	Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM biotinylated lamin B peptide was used. The concentration of [3H]farnesyl pyrophosphate (FPP) was increased beyond manufacturer recommendations to 1 uM. IC50 values were calculated using linear regression analysis of the plots of [3H]FPP prenylation versus concentration of compounds.
3328	1	AKT IMAP Fluorescence Polarization Assay	A bead-based FP assay methodology, termed IMAP, has been developed for the serine/threonine kinase, AKT that allows for direct measurement of product formation. The assay design utilizes a fluoresceinated peptide substrate that, when phosphorylated by the kinase, binds to nanoparticles derivatized with trivalent metal cations through a metal-phospholigand interaction. The result of this bound fluoresceinated phosphorylated product is an increase in polarization signal caused by a decrease in the molecular mobility of the bound product. Reported values are an average of three independent binding curves utilizing an IMAP Akt Assay Kit (Molecular Devices). Reactions were conducted in wells with fluoresceinated peptide, ATP, and Akt1, and inhibitor in reaction buffer. The reactions were equilibrated for 1 h at room temperature then data points were collected and analyzed.
3330	1	TF-FVIIa Enzyme Inhibition Assay	TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds dissolved in DMSO were incubated at varied concentrations, followed by addition of substrate Spectrozyme-FVIIa . Reactions were incubated for 5 min at room temperature prior to measuring the change in OD405 nm for 10 min at 21-s intervals with a PowerwaveX (Bio-Tek Instruments) microplate reader. 
3330	2	Thrombin Inhibition Assay	Thrombin assay reactions were performed in a reaction mixture containing thrombin, and test compounds were added at varied concentrations. The reactions were initiated by the addition of Na-Benzoyl-Phe-Val-Arg-p-Nitroanalide (Sigma Chemicals) at a final concentration of 1 mM. Reactions were incubated for 5 min at room temperature prior to measuring the change in OD405 nm for 10 min at 21-s intervals with a PowerwaveX (Bio-Tek Instruments) microplate reader.
3337	1	SARS-CoV PLpro Enzyme Inhibition Assay	IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, and varying concentrations of inhibitor (0-200 uM). Reactions were initiated with the addition of PLpro to produce a final enzyme concentration of 125 nM. Reaction progress was monitored continuously on a Tecan Genios Pro microplate reader (excitation@360 nm; emission@460 nm; gain=40). Initial rate data were fit to equation using the Enzyme Kinetics module of SigmaPlot (v. 9.01 Systat Software, Inc.). 
3338	1	Kinase SPA Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylated product. Compounds were 3-fold serially diluted from 10 to 0.0015 uM, then incubated for 30-90 min at room temperature in the presence of ATP/P33gamma-ATP mix [2Km], substrate [5Km], and the specific enzyme [0.7-100 nM] in a final volume of 30 uL of kinase buffer, using 96 U bottom plates. The reaction was stopped by the addition of 100 uL of PBS + 32 mM EDTA + 0.1% Triton X-100 + 500 uM ATP, containing 1 mg of streptavidin-coated SPA beads. After 20 min of incubation for substrate capture, 100 uL of the reaction mixture was transferred into Optiplate (PerkinElmer) 96-well plates containing 100uL of 5 M CsCl, left to stand for 4 h to allow stratification of beads to the top of the plate, and counted using TopCount (Packard) to measure substrate-incorporated phosphate. At least two independent experiments were performed for each compound in order to determine IC50 in replicates, and potency is expressed by the mean of IC50 values obtained by nonlinear regression analysis.
3338	2	Kinase Multiscreen Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylated product. Compounds were 3-fold serially diluted from 10 to 0.0015 uM, then incubated for 30-90 min at room temperature in the presence of ATP/P33gamma-ATP mix [2Km], substrate [5Km], and the specific enzyme [0.7-100 nM] in a final volume of 30 uL of kinase buffer, using 96 U bottom. The reaction was stopped with the addition of 10 uL of EDTA, 150 mM. An amount of 100 uL was transferred to a MultiScreen plate to allow substrate binding to phosphocellulose filter. Plates were then washed three times with 100 uL of H2PO4, 75 mM, filtered by a MultiScreen filtration system, and dried. After the additon of 100 uL of Microscint 0 (Packard), radioactivity was counted in the TopCount. At least two independent experiments were performed for each compound in order to determine IC50 in replicates, and potency is expressed by the mean of IC50 values obtained by nonlinear regression analysis.
3338	3	Kinase Dowex Resin Assay	The biochemical activity of compounds was determined by incubation with specific enzymes and substrates, followed by quantitation of the phosphorylated product. Compounds were 3-fold serially diluted from 10 to 0.0015 uM, then incubated for 30-90 min at room temperature in the presence of ATP/P33gamma-ATP mix [2Km], substrate [5Km], and the specific enzyme [0.7-100 nM] in a final volume of 30 uL of kinase buffer, using 96 U bottom plates. An amount of 150 uL of resin/formate, pH 3.00, was added to stop the reaction and capture unreacted P33gamma-ATP, separating it from the phosphorylated substrate in solution. After 60 min of rest, a volume of 50 uL of supernatant was transferred to Optiplate 96-well plates. After the additon of 150 uL of Microscint 40 (Packard), the radioactivity was counted in the TopCount. At least two independent experiments were performed for each compound in order to determine IC50 in replicates, and potency is expressed by the mean of IC50 values obtained by nonlinear regression analysis.
3340	1	GSK-3beta Kinase Inhibition Assay	Human GSK-3beta was expressed as the N-terminal FLAG-tagged protein using a baculovirus expression system. The kinase assay was was conducted in a 96-well plate assay format. The kinase reactions were initiated by addition of ATP-solution (final 500 nM), and were incubated for 90 min at 37 deg C for GSK-3 beta. The reactions were terminated by the addition of Kinase-Glo reagent containing EDTA. Ten minutes after addition of Kinase-Glo reagent, the luminescence was measured on a Wallac ARVO 1420 instrument (PerkinElmer, Shelton, CT). The reaction window was calculated from the difference of the average signals obtained from the control (5% DMSO) and the background wells. The inhibitory activity of compounds is expressed by the inhibitor concentration that produced 50% inhibition (IC50) of the enzyme activity in the absence of inhibitor. The IC50 values were obtained by linear regression analysis with a GraphPad Prism (version 3.02 for Windows, GraphPad software, Inc. San Diego, CA). The best-fit lines were obtained by analyzing the logistic fitting equation.
3340	2	CDK5 Kinase Inhibition Assay	Human p35/ cyclin dependent kinase 5 (CDK5) was purchased from Millipore Corp. (Bedford, MA), which was expressed as N-terminal GST fusion protein using baculovirus expression system. The assay was conducted in a 96-well plate assay format. The kinase reactions were initiated by addition of ATP- solution (final 500 nM), and were incubated for 45 min at room temperature for CDK5. The reactions were terminated by the addition of Kinase-Glo reagent containing EDTA. Ten minutes after addition of Kinase-Glo reagent, the luminescence was measured on a Wallac ARVO 1420 instrument (PerkinElmer, Shelton, CT). The reaction window was calculated from the difference of the average signals obtained from the control (5% DMSO) and the background wells. The inhibitory activity of compounds is expressed by the inhibitor concentration that produced 50% inhibition (IC50) of the enzyme activity in the absence of inhibitor. The IC50 values were obtained by linear regression analysis with a GraphPad Prism (version 3.02 for Windows, GraphPad software, Inc. San Diego, CA). The best-fit lines were obtained by analyzing the logistic fitting equation.
3342	1	PDE Enzyme Inhibition Assay	PDE activity was measured using a plate-based Scintillation Proximity Assay (SPA). For competitive enzyme inhibition assays, the substrate [3H]cAMP concentration  was held at 20 nM for conditions to be at or below the Km of the enzyme (24 nM at RT). The concentration of enzyme was adjusted to convert less than 10% of available substrate to end product during the assay. Following the addition of the test compounds and [3H]-cAMP, enzyme was added. The incubation was allowed to proceed for 30 min at room temperature before the addition of PDE SPA beads at 0.2 mg/well to stop the reaction. Plates were allowed to stand 10 to 12 hours before counting in a Trilux plate reader. IC50s were calculated after the subtraction of background as determined by addition of 10 uM papaverine.
3343	1	P38alpha Kinase Inhibition Assay	Enzymatic activity assay was performed in 96-well microtiter plates. Various concentrations of the test compound or vehicle controls were preincubated for one hour with the human p38alpha (SAPKa) enzyme. The reaction started by addition of biotinylated ATF2 substrate and ATP. After incubation at 25 deg C for 1 hr. The detection reagents, streptavidin-XL665 and antiphosphoresidue antibody coupled to Europium cryptate, caused the juxtaposition of the cryptate and the XL665 fluorophore, resulting in fluorescence energy transfer (FRET). The FRET intensity depends on the amount of bounded cryptate antibody, which is proportional to the extent of substrate phosphorylation. FRET intensity was measured using Victor 2 V spectrofluorometer. Data were analyzed by nonlinear regression (Hill equation) to generate a dose-response curve. The calculated IC50 value is the concentration of the test compound, which caused a 50% decrease in the maximal FRET intensity.
3344	1	Enzyme Inhibition Assay	Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derived from PDE4-catalyzyed hydrolysis of cAMP, to the formation of ATP. The ATP is then used as a substrate for Luciferase and results in light as a signal output. When PDE is inhibited or inactive, no AMP is produced, the luciferase is inactive, and no light signal is produced. This assay is used in a quenched assay format, where PDE4 enzyme and cAMP substrate are added sequentially to a 384 well assay plate (Greiner784075) pre-stamped with compound at the desired concentration. The reaction is incubated at room temperature for 1 h, and then is quenched by the addition of enzyme stop solution and then the light signal is generated by the addition of detection reagent. The luminescence is then measured on a Viewlux imager (Perkin Elmer) using emission filters of 613/55 nm or 618/40 nm and a 5 s. For inhibition curves, compounds were diluted using a 3-fold serial dilution and tested at 11 concentrations. Curves were analysed as describe above using ActivityBase and XLfit , and results were expressed as pIC50 values. 
3345	1	In Vitro HO Activity Assay	HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methemalbumin. Incubations for HO activity analysis were done under conditions for which the rate of CO formation was linear with respect to time and microsomal protein concentration. Briefly, reaction mixtures consisting of 100 mM phosphate buffer (pH 7.4), 50 uM methemalbumin, and 1 mg/mL protein were pre-incubated with the inhibitors at final concentrations ranging from 0.1 to 100 uM for 10 min at 37 deg C. Reactions were initiated by adding NADPH at a final concentration of 1 mM and incubations were performed for an additional 15 min at 37 deg C. Reactions were stopped by instantly freezing the reaction mixture on dry ice, and CO formation was monitored by gas chromatography.
3345	2	Measurement of CYP2E1 Enzymatic Activity	CYP2E1 hydroxylation of p-nitrophenol was determined by the spectrophotometric measurement of 4-nitrocatechol. Briefly, reaction mixture consisting of 100 mM phosphate buffer (pH 7.4), 100 uM p-nitrophenol, 2 mg/mL CYP2E1, and inhibitors were pre-incubated for 10 min at 37 deg C. Reactions were initiated by adding NADPH at a final concentration of 1 mM and were incubated for an additional 30 min at 37 deg C. Reactions were stopped upon the addition of perchloric acid (0.6 N or 22%). The effects of the HO inhibitors on CYP2E1 activity were tested at concentrations in the range of 0.01-100 uM.
3349	1	High Throughput Screening Assay for Hsp70 Inhibitors	Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant transformation. The human genome contains nine Hsp70-family genes.  These chaperones include Hsp70 and Hsc70, which are commonly over-expressed in cancers and which confer resistance to myriad cellular stresses, including cytotoxic chemotherapy.  This work&apos;s aim is to identify chemical probes of Hsp70 through a fluorescence polarization (FP) assay using Fluorescein-labeled ATP. Additional TR-FRET-based assay was developed and utilized as secondary assay in hit confirmation.
3350	1	In Vitro MKP-3 Dose Response Assay for SAR Study	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This MKP-3 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the MKP-3 in vitro HTS assay (AID 425) MKP-3 (mitogen-activated protein kinase phosphatase-3; EC 3.1.3.48, EC 3.1.3.16), a dual specificity phosphatase negatively regulates ERK1/2 by catalyzing the removal of a phosphoryl group from Thr(P) and Tyr(P) in the activation loop consensus motif -pTXpY. MKP-3 screening was performed using a biochemical assay developed at the laboratory of Prof. John Lazo (University of Pittsburg). The assay was optimized and run at the Burnham Center for Chemical Genomics (BCCG) as part of the Molecular Library Screening Center Network (MLSCN
3351	1	In Vitro HO Activity Assay	HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methemalbumin. Incubations for HO activity analysis were done under conditions for which the rate of CO formation was linear with respect to time and microsomal protein concentration. Briefly, reaction mixtures consisting of 100 mM phosphate buffer (pH 7.4), 50 uM methemalbumin, and 1 mg/mL protein were pre-incubated with the inhibitors at final concentrations ranging from 0.1 to 100 uM for 10 min at 37 deg C. Reactions were initiated by adding NADPH at a final concentration of 1 mM and incubations were performed for an additional 15 min at 37 deg C. Reactions were stopped by instantly freezing the reaction mixture on dry ice, and CO formation was monitored by gas chromatography.
3352	1	Thymidylate Synthase (TS) Assay	TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the addition of an amount of enzyme yielding a change in absorbance at 340 nm of 0.016/min in the absence of inhibitor.
3356	1	PTR1 Activity Assay	TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrobiopterin (H4B). Enzyme activity was monitored by reading absorbance at 550 nm within the linear phase of reaction. Ki (app) values were calculated using a modified Morrison equation.
3357	1	Fluorescence Polarization Assay	FPAs were performed using various concentrations of GST-Bcl-2 family proteins, incubated with FITC-conjugated peptide substrates in the presence of inhibitor compound. After 30 min of incubation at room temperature, the polarization values in millipolarization units were measured at excitation/emission wavelengths of 480/535 nm with a multilabel plate reader (PerkinElmer). IC50 was determined by fitting the experimental data to a sigmoidal dose-response nonlinear regression model (SigmaPlot 10.0.1, Systat Software, Inc., San Jose, CA). Data reported are the mean of three independent experiments.  
3359	1	Protease Inhibition Assay	The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC.
3360	1	Kinetics Assay for IC50 Determination	IC50 determinations for cSrc kinases were measured with the HTRF KinEASE-TK assay from Cisbio according to the manufacturer instructions. A biotinylated poly-Glu-Tyr substrate peptide was phosphorylated by cSrc. After completion of the reaction, an anti-phosphotyrosine antibody labeled with europium cryptate and streptavidin labeled with the fluorophore XL665 were added. The FRET between europium cryptate and XL665 was measured to quantify the phosphorylation of the substrate peptide. Kinase, substrate peptide, and inhibitor were preincubated for 2 h before the reaction was started by addition of ATP. A Tecan Safire2 plate reader was used to measure the fluorescence of the samples at 620 nm (Eu-labeled antibody) and 665 nm (XL665 labeled streptavidin) 60 us after excitation at 317 nm. The quotient of both intensities for reactions made with eight different inhibitor concentrations was fit to a Hill four-parameter equation to determine IC50 values. Each reaction was performed in duplicate, and at least three independent determinations of each IC50 were made.
3361	1	EGFR IC50 Determination	The kinase reaction for EGFR consisted of BSA-supplemented kinase buffer, kinase, peptide, and ATP. For IC50 determinations, 10 different concentrations (ranging from 0.1 nM to 10 uM) of inhibitor were used in duplicate. Each experiment was repeated at least twice. Following the kinase reaction, Development Solution (included with the kit) was added to cleave the remaining unphosphorylated peptide. Following a 1 h incubation time with Development Solution, Stop Solution (included with the kit) was added to the reaction mixture. Fluorescence was then measured with a Spectramax M5 plate reader from Molecular Devices or a Safire2 from Tecan. Upon excitation of coumarin at 400 nm, fluorescence emission was measured at 445 nm (coumarin) and 520 nm (fluorescein). The ratio of coumarin to fluorescein emission was used to calculate the percentage of phosphorylation of the peptide by the kinase.
3361	2	Src IC50 Determination	IC50 values were determined with the Z lyte assay system (Invitrogen).  The reactions were performed in 384-well small volume plates from Greiner (#784076). The kinase reaction for cSrc consisted of kinase buffer, kinase, peptide and ATP.  For each IC50 determination, 16 different concentrations of inhibitor (range from 250,000 to 10 nM) were used in triplicate and at least three independent experiments were performed. Before starting the kinase reaction, enzyme and inhibitor were incubated for 40 min. Following the kinase reaction, Development Solution (included with the kit) was added to cleave the remaining unphosphorylated peptide. Following a 1 h incubation time with Development Solution, Stop Solution (included with the kit) was added to the reaction mixture. Fluorescence was then measured with a Spectramax M5 plate reader from Molecular Devices or a Safire2 from Tecan. Upon excitation of coumarin at 400 nm, fluorescence emission was measured at 445 nm (coumarin) and 520 nm (fluorescein). The ratio of coumarin to fluorescein emission was used to calculate the percentage of phosphorylation of the peptide by the kinase.
3362	1	Enzyme Inhibition Assay	Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and then blocked with I-block (Tropix) in PBS. After kinase reaction, product was detected by incubation with antiphosphohistone H3 (Ser10) 6G3 mouse monoclonal antibody and sheep-antimouse HRP conjugate, followed by washing and addition of TMB substrate. Plates were read at 450 nm.
3364	1	hKAT-I Activity Assay 	A typical reaction mixture contains kynurenine, alpha-ketobutyrate, PLP and hKAT-I in the presence of test compound. The reaction mixture was incubated for 20 min at 38 deg C, and the reaction was stopped by adding an equal volume of 1 M formic acid. The product KYNA was detected by high-performance liquid chromatography and quantified on the basis of the absorbance at 330 nm as measured by a Hitachi L-7400 UV detector. The assays for each inhibitor were performed four times, and the data were analyzed using the SigmaPlot enzyme kinetics module (SPSS Inc.).
3365	1	Retinoid Competition Binding Assay	Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the charcoal absorption method. After incubation, unbound [3H]RA was removed by addition of equivalent-sized dextran-treated charcoal. The scintillation cocktail (Beckman) was added 0.5 mL of the supernatant, and it was then counted in an LS6500 scintillation counter (Beckman) using the auto-dpm program.
3366	1	AChE Inhibition Assay	AChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using AChE from bovine or human erythrocytes and acetylthiocholine iodide as substrate. The 5,5-dithiobis(2-nitrobenzoic) acid (DTNB) solution was used to produce the yellow anion of 5-thio-2-nitrobenzoic acid. Inhibition curves were performed in triplicate by incubating at least 12 concentrations of inhibitor for 15 min. One triplicate sample without inhibitor was always present to yield 100% of AChE activity. The reaction was stopped with 100 ul of 1mM eserine, and the color production was measured at 414 nm. 
3366	2	BChE Inhibition Assay	BChE inhibitory activity was evaluated spectrophotometrically by the method of Ellman, using BChE from human serum and butyrylthiocholine as substrate. The 5,5-dithiobis(2-nitrobenzoic) acid (DTNB) solution was used to produce the yellow anion of 5-thio-2-nitrobenzoic acid. Inhibition curves were performed in triplicate by incubating at least 12 concentrations of inhibitor for 15 min. One triplicate sample without inhibitor was always present to yield 100% of BChE activity. The reaction was stopped with 100 ul of 1mM eserine, and the color production was measured at 414 nm. 
3368	1	SPR Biosensor Assay	An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instrument with CM5 research grade chips (Biacore, Uppsala, Sweden). Sensorgrams were recorded at a frequency of 2.5 Hz. EcIspF was immobilized using amine-coupling chemistry with readings between 4500 and 5500 response units were obtained. After immobilization, a 6 min injection at 5 uL min-1 of 1 M ethanolamine was used to quench excess active succinamide ester groups. SPR binding experiments with EcIspF were performed at 10 deg C in 50 mM sodium phosphate pH 7 and 2 mM MgCl2 at a flow rate of 30 uL min-1. The sensor surface was regenerated between experiments by applying the running buffer for 20 min to dissociate any ligand complex. This was followed by a further 20 min stabilization period. The 40 min total regeneration time between experiments helped to eliminate any carry-over of EcIspF bound to ligand. Each injection at a given concentration was repeated three times. Blank injections were included for each measurement series and subtracted from the data. The equilibrium (steady state) binding curves were analyzed by nonlinear regression and fit to a one-to-one Langmuir binding model. All ligands assessed by SPR were greater than 95% purity as established by high-performance liquid chromatography or combustion analysis.
3369	1	Enzymatic Inhibition Assay	The enzymatic inhibition assay of HpFabZ was monitored by the spectrophotometric method. The activity of HpFabZ was measured by detection of the decrease in absorbance at 260 nm for the conversion of crotonoyl-CoA to beta-hydroxybutyryl-CoA. The compound dissolved in 1% Me2SO was incubated with the enzyme for 1 h before the assay was started. The 50% inhibitory concentration (IC50) of each inhibitor was estimated by fitting the inhibition data to a dose-dependent curve using a logistic derivative equation.
3371	1	Cathepsin Inhibition Assay	IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.
3376	1	Tumor Hsp90 Inhibitors Dose Response Confirmation	A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hsp90 and fluorescently (Cy3B) labeled geldanamycin (cy3B-GM) in 384-well black assay plate format. Fluorescence polarization in mP is measured at room temperature with an Analyst HT reader. An excitation filter at 545nm and an emission filter at 610 to 675nm are used with a dichroic mirror of 565nm. Assay data are analyzed using BioAssay software from CambridgeSoft.  Percentage of inhibition is calculated by the equation based on per plate: % of Inhibition = 100 - ((mPc - mPf)/(mPb - mPf)) * 100 Where mPc is the recorded mP from compound wells; mPf is average recorded mP from cy3B-GM only wells; mPb is average recorded mP from wells containing cy3B-GM and NCI-N417 lysate. For each compound, a 4 parameter sigmoidal dose-response curve was fitted using BioAssay software from CambridgeSoft. The reported IC50 values were generated from fitted curves by solving for X-intercept at the 50% level of Y-intercept.  When the highest concentration tested (50 micromolar) did not result in greater than 50% inhibition, the IC50 is reported as greater than 50 micromolar. Similarly, when the lowest concentration tested (1.5625 micromolar) resulted in greater than 50% inhibition, the IC50 is reported as less than 1.5625 micromolar. Compounds with IC50 values of greater than 30 micromolar were considered inactive.
3377	1	Multiplexed dose response screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-XL.	The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microliters of test compound, and 5 microliters of 100 nM F-Bim in HPSMTB). Controls, which contained bead mixture and F-Bim but no test compound, were located in columns 1 and 2 on each plate. Plates were placed horizontal axis on rotators and incubated for 1-2 hours at 4 degrees C. A glutathione-only bead set control (no associated GST-protein) was incorporated into each well as a fluorescence scavenger to determine inherent fluorescent properties (at 530 nm emission) of the test compounds. Specificity of F-Bim binding was determined with a Positive Control using a block of the F-Bim fluor with a non-fluoresceinated Bim peptide. Sample acquisition and preliminary analysis is conducted with the HyperCyt(R) high throughput flow cytometry platform. The stream of particles is excited at 488 nm and 635 nM, and flow cytometric data of light scatter and fluorescence emission at 530 +/- 20 nm (FL1) and emission at 665 +/- 10 nm (FL8) are collected on a Cyan Flow Cytometer (Dako). Analysis of the time-resolved acquisition data file uses IDLeQuery software to merge the flow cytometry data files with compound worklist files generated by HyperSip software. In dose response experiments, the assay was performed without compound and with nine different concentrations of compound, from 10 nanoM to 100 microM, to produce a series of 9 data points. IDLeQuery calculates the median channel fluorescence (MCF) for each of these ligand concentrations, generating competition curves. Ligand competition curves were fitted by Prism# software (GraphPad Software, Inc., San Diego, CA) using nonlinear least-squares regression in a sigmoidal dose response model with variable slope, also known as the four parameter logistic equation. Curve fit statistics were used to determine the concentration of added test compound competitor that inhibited fluorescent ligand binding by 50 percent (EC50, microM)Compounds with EC50 less than 10 microM and magnitude of response greater than 40% (i.e., Bottom of sigmoidal curve < 0.6 * Top of sigmoidal curve, listed as FIT_PERCENT_SPAN) were said to be "Active".
3378	1	Fluorescence polarization assay for PKD inhibitiors-IC50 determinations	The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01).   Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. PKD activity was assessed using an IMAP-based fluorescent polarization (FP) assay for high throughput screening (HTS) in a 384-well, small volume format. The assay procedures include (1) Add 2 uL of a substrate peptide and ATP mixture to appropriate wells. (2) Add 2 uL of a (appropriate) concentration of test compound or controls to appropriate wells. (3) Add 2 uL of PKD enzyme to each well. (4) Incubate for 1.5 hours at room temperature. (5) Add 18 uL of Binding reagent to each well and incubate for 2 hours. (6) Collect data at A485/A525. Compounds tested in three independent singlicate 10-point dose response assays, typically starting at a max. conc. of 100uM. Substance is considered inactive when IC50 is > 100 uM.
3379	1	HSP70 Fluorescence Polarization Assay	A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in mP. The presence of a compound which competitively binds to the same site as the probe would lead to decreased mP values, by increasing the amount of free probe. Compounds were tested as 10-point IC50s.  Assay mixtures were incubated for three hours prior to reading on the Fusion (ex 485 nm; em 535 nm). The data was fitted using a 4 parameter logistical data model by XLFit 4 (IDBS).
3379	2	HSP70 Biacore Direct Binding Assay	All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the surface of a NTA sensor chip; approximately 2000 RU of protein were immobilised. Compounds were injected for 90 sec, and the KDs were determined from equilibrium binding at 80 sec.
3380	1	Enzyme Inhibition Assay	Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibitors and substrates were previously dissolved in 4% DMSO. The hydrolysis of the substrates was recorded as increase in fluorescence intensity. IC50 values were generated by nonlinear regression analysis from plots of vi/v0 versus inhibitor concentration, in which vi is the velocity in presence, and v0 the velocity in the absence of an inhibitor. The kinetic constants were determined by the method of Lineweaver and Burk, and Ki values were consecutively calculated from the following equation: Ki = IC50/[1 + (S/Km)]. The overall error of the assays is estimated to be +/-40%.
3383	1	Fluorescence Resonance Energy Transfer (FRET) Assay	MMP-13 was assessed by using the EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.). This kit uses a 5-FAM/QXL 520 fluorescence resonance 10 energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths = 490 nm/520 nm. The assays are performed in a 96-well or 384-well microplate format. Reported IC50 values reflect an n of 2-5.
3384	1	ELISA assay	A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest differential inhibition of PDK1 and SGK1 were subjected to an ELISA assay in which direct inhibition of SGK1 phosphorylation was measured by using anti-phospho-SGK1 antibody. ELISA IC50s were determined by Microsoft Excel data analysis wizard model 63 with the luminescent signal from wells without compound treatment as 100%.
3386	1	Homogeneous Time-resolved Fluorescence Assay	Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled anti-phospho-Thr71-ATF-2 antibody. Streptavidin-allophycocyanin-XL was used as the acceptor. A 10-point dose-response curve for each compound was generated in duplicate and data was fit to a four parameter logistic.
3389	1	Scintillation Proximity Assay (SPA)	11beta-HSD1 microsomes isolated from HEK 293 cells over-expressing human 11beta-HSD1 were incubated with the substrate cortisone and cofactor NADPH at room temperature. The reactions were terminated with the addition of a nonspecific 11beta-HSD1 inhibitor (18beta-glycyrrhetinic acid). The product cortisol was quantified in an immuno-competition SPA wherein the [3H]-cortisol bound to anti-rabbit antibody Yitrium silicate SPA beads coated with polyclonal anti-cortisol antibody was competed by cortisol produced in the reaction, and the reaction mixture was read in a scintillation plate reader (TopCount). The amount of cortisol was determined from a cortisol standard curve.
3391	1	Human 11beta-HSD1 SPA Assay	Enzyme assays were performed using purified recombinant human 11beta-HSD1. The fractional conversion of cortisone to cortisol was used to determine enzyme activities. The radioactive cortisol generated in the assay was captured by a monoclonal anti-cortisol antibody and SPA beads coated with anti-mouse antibodies. Radiometric quantitation was determined on a TopCount NXT instrument.
3394	1	Fluorescence Polarization Affinity Measurements	Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing antagonist and polarization probe in the buffer. Samples were read after 30-min incubation. Fluorescence polarization values were plotted as a function of the antagonist concentration, and the IC50 values were obtained by fitting the data to a four-parameter equation using KaleidaGraph software. Ki values for the antagonists were determined from the IC50 values. 
3395	1	Fluorescence Polarization Assay	Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibrium binding curves were drawn by plotting millipolarization units (mP) as a function of recombinant XIAP concentration. All experiments were performed in black, flat-bottomed, 96-well microplates. The Smac mimetics were evaluated for their ability to displace the fluorescent probe from recombinant protein. Data were analyzed using Prism 4.0 software (Graphpad Software).
3398	1	Screening Assay for ABCG2 Inhibitors	IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG2 substrate, formed the basis of the assay for inhibitors of ABCG2 activity. NCI-H460/MX20 cells were transferred to black-walled, clear-bottomed 384-well polylysine-coated assay plates (Corning) and allowed to attach for several hours. PhA was added, immediately followed by compounds or vehicle (DMSO/PBS) control and incubated for an additional 18 h. After removal of medium and washing with PBS containing Ca2+ and Mg2+, fluorescence intensity was read on a Tecan Safire fluorescence plate reader in bottom read mode (395 nm excitation, 670 nm emission). Each plate had control wells containing Fumitremorgin C (FTC). Data were normalized to FTC and reported as the percentage of FTC fluorescence. Apparent IC50 values were calculated from dose-response data using SigmaPlot (SPSS, Inc., Chicago) 4-parameter logistic nonlinear regression analysis.
3399	1	Screening Assay for ABCG2 Inhibitors	IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG2 substrate, formed the basis of the assay for inhibitors of ABCG2 activity. NCI-H460/MX20 cells were transferred to black-walled, clear-bottomed 384-well polylysine-coated assay plates (Corning) and allowed to attach for several hours. PhA was added, immediately followed by compounds or vehicle (DMSO/PBS) control and incubated for an additional 18 h. After removal of medium and washing with PBS containing Ca2+ and Mg2+, fluorescence intensity was read on a Tecan Safire fluorescence plate reader in bottom read mode (395 nm excitation, 670 nm emission). Each plate had control wells containing Fumitremorgin C (FTC). Data were normalized to FTC and reported as the percentage of FTC fluorescence. Apparent IC50 values were calculated from dose-response data using SigmaPlot (SPSS, Inc., Chicago) 4-parameter logistic nonlinear regression analysis.
3400	1	ACCase-Coupled Enzyme Assay	Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the plate consisting of 50 mM Hepes (pH 8.0), 100 mM KCl, 1 mM TCEP, 5 mM MgCl2, 0.1 mg/mL BSA, 0.005% (vol/vol) Tween 20, 30 nM E. coli BC, 50 nM E. coli CT, 50 nM biotinylated E. coli BCCP, and 0.5 unit/mL E. coli purine nucleoside phosphorylase was added. After 5 min of coincubation of inhibitors with solution 1, the ACCase reaction was initiated by addition of 40 uL of solution 2, which consisted of 500 uM citrate (pH 4.2), 150 uM 7-methyl-6-thioguanosine (MESG; Berry and Associates), and 0.005% (vol/vol) Tween 20. Reaction progress was monitored by the increase in absorbance at 360 nm. Inhibitor potency was assessed by duplicate 20-point titrations of inhibitor from 96 uM to 9.6 nM. Inhibition data were fit to the standard IC50 equation. 
3401	1	Enzyme Inhibition Assay	Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed under the conditions using different concentrations of substrate (182, 91 and 45 uM) and inhibitor (36.4, 27.3, 18.2 and 9.1 uM for the weakest inhibitor and 3.6, 2.7, 1.8 and 0.9 nM for the tightest binder). Activity of thrombin was adjusted by diluting solution with 154 mM NaCl until linear conversion of the substrate could be detected over 5 min in an appropriate absorption window (~0.2-0.8). The assay was stopped after 3 min with concentrated acetic acid and absorption in each well was corrected for the blank value. Ki values were determined as described by Dixon.
3403	1	Factor XIa Dose Response Confirmation from Single Well Screen	Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluorescence (excitation 355, emission 460) on Envision reader.  HTS hits were confirmed on single compounds by IC50 determination. IC50 plates contained compounds in columns 3-22, controls (enzyme, no compound) in columns 2 and 24, and blanks (no enzyme) in columns 1 and 23. Each column 3-22 contained 16 two-fold dilutions of a single compound, ranging in concentration from 50 uM to 1.5 nM. Percent activity was calculated for each dilution of each compound from the signal in fluorescence units (FU) and the mean of the plate controls and the mean of the plate blanks using the following equation: % Activity = 100*((signal-blank mean)/(control mean-blank mean)) Dose response curves of percent activity were fit using XLfit equation 205 (four parameter logistic fit with maximum percent activity and minimum percent activity fixed at 100 and 0, respectively). Compounds that gave percent inhibition >40 in the primary HTS were judged to be hits and these compounds were selected for follow-up IC50 testing. The percent activity at the maximum concentration is reported and can be used to estimate the potency of compounds for which the IC50 values were >50 uM. Activity outcome is reported as follows: (1) IC50 <50 uM in all three IC50 determinations = active (2) IC50 <50 uM in only 1 or 2 out of 3 determinations = inconclusive (3) IC50 >50 uM, percent inhibition 30-50% at 50 uM = inconclusive (4) IC50 >50 uM, percent inhibition <30% at 50 uM = inactive
3404	1	Factor XIa 1536 HTS Dose Response Confirmation	Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluorescence (excitation 355, emission 460) on Envision reader.  HTS hits were confirmed on single compounds by IC50 determination. IC50 plates contained compounds in columns 3-22, controls (enzyme, no compound) in columns 2 and 24, and blanks (no enzyme) in columns 1 and 23. Each column 3-22 contained 16 two-fold dilutions of a single compound, ranging in concentration from 50 uM to 1.5 nM. Percent activity was calculated for each dilution of each compound from the signal in fluorescence units (FU) and the mean of the plate controls and the mean of the plate blanks using the following equation: % Activity = 100*((signal-blank mean)/(control mean-blank mean)) Dose response curves of percent activity were fit using XLfit equation 205 (four parameter logistic fit with maximum percent activity and minimum percent activity fixed at 100 and 0, respectively). Compounds that gave percent inhibition >40 in the primary HTS were judged to be hits and these compounds were selected for follow-up IC50 testing. The percent activity at the maximum concentration is reported and can be used to estimate the potency of compounds for which the IC50 values were >50 uM. Activity outcome is reported as follows: (1) IC50 <50 uM in all three IC50 determinations = active (2) IC50 <50 uM in only 1 or 2 out of 3 determinations = inconclusive (3) IC50 >50 uM, percent inhibition 30-50% at 50 uM = inconclusive (4) IC50 >50 uM, percent inhibition <30% at 50 uM = inactive
3405	1	Multiplexed dose response screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bfl-1.	The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay is built on a unique bead set, and each bead set is associated with a unique optical address. Beads are first washed in buffer for 20 minutes before adding the appropriate GST-Bcl fusion protein. The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microliters of test compound, and 5 microliters of 100 nM F-Bim in HPSMTB). Test compound concentration was 10 microM. Controls, which contained bead mixture and F-Bim but no test compound, were located in columns 1 and 2 on each plate. Plates were placed horizontal axis on rotators and incubated for 1-2 hours at 4 degrees C.  A glutathione-only bead set control (no associated GST-protein) was incorporated into each well as a fluorescence scavenger to determine inherent fluorescent properties (at 530 nm emission) of the test compounds. In the study reported here, the 237 compounds that satisfied the hit selection criterion in the primary screen (change in %Inhibition greater than 40%) were tested in a dose response format to confirm activity and determine potency.  Additional compounds, which were actives from other Bcl targets, were also included in the dose response evaluations.  Final compound dilutions in DMSO ranged from 1 microM  to 10 mM.  These dilutions were then diluted 1 to 100 to give an assay concentration range of 10 nanoM  to 100 microM.     Sample acquisition and preliminary analysis is conducted with the HyperCyt(R) high throughput flow cytometry platform. The HyperCyt system interfaces a flow cytometer and autosampler for high-throughput microliter-volume sampling from 384-well microtiter plates. The stream of particles is excited at 488 nm and 635 nM, and flow cytometric data of light scatter and fluorescence emission at 530 +/- 20 nm (FL1) and emission at 665 +/- 10 nm (FL8) are collected on a Cyan Flow Cytometer (Dako). Compounds with EC50 less than 10 microM and magnitude of response greater than 40% (i.e., Bottom of sigmoidal curve < 0.6  Top of sigmoidal curve, listed as FIT_PERCENT_SPAN) were said to be Active.
3406	1	CHK1 AlphaScreen	AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acceptor beads providing functional groups for conjugation to biomolecules. Binding of molecules captured on the beads leads to an energy transfer from one bead to the other, ultimately producing a luminescent/fluorescent signal. Streptavidin-coated donor beads and protein A-conjugated acceptor beads were added together. After incubation for > 6 hours in the dark at room temperature, the assay end point was measured using a Fusion Multilabel Reader, 300 ms excitation at 680 nm and 700 ms per well reading time at 520-620 nm. The signal was expressed in counts per second. Primary screening data were analysed in Excel (Microsoft). Percentage inhibition was calculated. 
3406	2	CHK Kinase Inhibition Assay	CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enzyme reaction was carried out in polypropylene plates (Greiner) using a reaction mixture containing enzyme, substrate peptide and ATP in the presence of test compound. After incubation, an aliquot of the stopped reaction mixture was transferred to a black neutravidin-coated plate (Perbio) and incubated for 1 h at room temperature. The plates were washed, and an antibody mixture consisting of anti-phospho CDC25C and europium-labelled anti-rabbit IgG was added. The plate was read on a Victor2 1420 multilabel counter (Perkin Elmer Life Sciences) using a time-resolved measurement mode reading fluorescence at 615 nm. The concentration of test compound required to inhibit enzyme activity by 50% was calculated (IC50).
3406	3	CDK1 Inhibition Assay	CDK1 kinase activity was measured in a DELFIA based HTScan CDK1/CycB kinase assay kit (Cell Signalling Technology) that monitors biotinylated substrate peptide using a specific phospho antibody. The enzyme reaction was carried out in polypropylene plates (Greiner). The reaction mix contained CDK1/CycB kinase, Rb (Ser780) biotinylated peptide, ATP, and test compound diluted to a give a range of concentrations. The reaction was incubated for 30 min at room temperature and stopped. An aliquot of the reaction mix was transferred to a yellow streptavidin coated plate. The primary antibody Phospho Rb (Ser 780), and subsequently europium-labelled anti-rabbit IgG were added. The plate was read on an Envision 2103 multilabel counter (PerkinElmer Life Sciences) using a time-resolved measurement mode reading fluorescence at 615 nm.
3407	1	Fluorescence Polarization (FP) Assay	The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90. The competitive displacement was monitored by a decrease in fluorescence polarization of the probe-Hsp90 complex when the inhibitor binds. IC50 values were calculated on the difference in anisotropy from the first and second reads.
3408	1	WNV Protease Inhibition Assay	Inhibitors were assayed in a 96-well plate format using enzyme conjugate WNV CF40-gly-NS3pro187, which was preincubated with various concentrations of test compounds at 37 deg C for 30 min. The reaction was then initiated by the addition of substrate Bz-nKRR-AMC.  Reaction progress was monitored continuously by following the increase in fluorescence (excitation 385 nm, emission 465 nm) on a TECAN Safire plate reader. IC50 values were derived for inhibitors by fitting the calculated initial velocities to a nonlinear regression curve fit using GraphPad Prism software (San Diego, CA). Each point of the IC50 curve was carried out in duplicate during a single experiment. 
3408	2	Tryptophan Fluorescence Quenching Assay (Kd)	Binding was also measured by a competition assay with a noncovalently bound inhibitor (Kd=4.6 uM) that quenched tryptophan fluorescence upon binding in the protease active site. Then 3.5 uM protein was titrated by this competitive inhibitor (from 0 to 40 uM) in the absence or presence of 50 uM test compound. An aliquot of each dilution was transferred to a UV-star Greiner 96-well microplate. After 1 h of incubation at room temperature, fluorescence was measured at 25 deg C on a Biotek Synergy4 microplate reader with exe=280 nm (bandwidth 10 nm) and em=340 nm (bandwidth 20 nm). Fluorescence intensities were corrected for inner-filter effect. Kd values of compounds were inferred from their effect on the Kd of the reference compound. 
3409	1	Enzyme Inhibition Assay	Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min. The reaction was initiated by the addition of substrate Bz-nKRR-AMC. Reaction progress was monitored continuously by following the increase in fluorescence on a Tecan Safire2 plate reader. IC50 values of inhibitors were derived by fitting the calculated initial velocities to a nonlinear regression curve using GraphPad Prism software. Each point of the IC50 curve was measured in duplicate during a single experiment.
3409	2	Enzyme Inhibition Assay (IC50) and Fluorescence Quench Assay (KD)	Inhibitors were assayed in a 96-well plate format. Typically, protease was preincubated with concentrations of test compounds at 37 deg C for 30 min. The reaction was initiated by the addition of substrate Bz-nKRR-AMC. Reaction progress was monitored continuously by following the increase in fluorescence on a Tecan Safire2 plate reader. IC50 values of inhibitors were derived by fitting the calculated initial velocities to a nonlinear regression curve using GraphPad Prism software. Each point of the IC50 curve was measured in duplicate during a single experiment. Compounds were tested for binding (KD) using fluorescence quench assay. Two protein solutions were prepared (2-5 uM protein with and without 40 uM compound) and were mixed in a microplate to obtain 12 different compound concentrations ranging from 0 to 40 uM. Then each dilution comprising 90 ul was transferred to a UV-Star 96-well microplate. After 1 h incubation at room temperature, fluorescence was measured at 25 deg C on a Tecan Safire2 with ex = 280 nm and em = 340 nm. At the end of the measurements, 11 uM bovine pancreatic trypsin inhibitor (BPTI) was added to the wells containing 40 uM compound and the fluorescence was measured again. Binding curves were analyzed according to the two-state model describing the formation of a 1:1 complex. Kd values were obtained from curve-fit of binding isotherms. 
3411	1	Protease Inhibition Assay 	All proteases were assayed by monitoring the cleavage of peptide substrate with fluorescent reporter at room temperature with a microtiter plate spectrofluorometer. Three different concentrations of inhibitors were used for calculating Ki values. Kinetic data were measured with an excitation wavelength of 390nm and emission wavelength of 460nm. From the initial velocities of the reactions Ki values were calculated by nonlinear regression method using the program EZ-fit (Perella Scientific).
3412	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3414	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3417	1	Scintillation Proximity Assay (IC50) and PPAR alpha Transactivation Assay (EC50)	Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR alpha receptor was used in scintillation proximity assay (SPA)-based receptor-binding assays. Briefly, GST-PPAR receptor was combined in SPA buffer with anti-GST antibodies (AmershamBiosciences, Piscataway, NJ), and a radioligand in assay plates. Yttrium silicate protein A-coated SPA beads (Amersham Biosciences) were added. The assay plates in the presence of varying concentrations of test compounds were incubated with shaking at 15 deg C for approximately 16 h. The plates were then counted in a TopCount scintillation counter (Packard Bioscience, Meriden, CT) to determine the displacement of the radioligand from the receptor by the compound. Nonspecific binding was determined by using a 100-fold excess of the respective unlabeled ligand. The results are expressed as IC50 calculated by a four-parameter logistic equation. EC50 values were determined using transactivation assay. COS-1 cells were cultured, and cotransfected with pcDNA3-PPAR/GAL4 expression vector, pUAS(5X)-tk-luc reporter vector, and pCMV-lacZ as an internal control for transactivation efficiency using Lipofectamine (Invitrogen). Varying concentrations of test compounds were incubated with the transfected cells at 37 deg C for 48 h. Cell lysates were then produced with reporter lysis buffer (Promega, Milwaukee, WI), and luciferase activity in cell extracts was determined by using luciferase assay buffer (Promega) in an ML3000 luminometer (Dynatech Laboratories, Chantilly, VA).
3417	2	Scintillation Proximity Assay (IC50) and PPAR gamma Transactivation Assay (EC50)	Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA beads (Amersham). The plates were sealed with press-on adhesive sealer and covered with aluminum foil. The plates were incubated at room temperature while shaking at 700 rpm on an IKA-Schuttler MST 4 titer plate shaker for one hour. After 30 min of settling, radioligand displacement was measured using a Wallac scintillation counter (Wallac Trilux 1450 Microbeta Liquid Scintillation and Luminescence counter). Ligand binding was calculated as percent displacement of total radioligand binding (DMSO control). The binding signal (cpm) in duplicates was plotted as a function of compound concentrations (M) and the plot was fitted to an equation by non-linear regression and IC50 derived from those plots using Spotfire. All experiments were repeated twice and the geometric mean was calculated for each IC50. HepG2 cells were transfected under standard conditions with Gal4RE-luciferase, Gal4:PPAR LBD and CMV beta-gal using Fugene 6. Transfected cells were treated with compounds for 18-24 h, lysed and luciferase and beta-gal assays performed (Promega) using a Dynex luminometer and Molecular Devices Plate reader. Luciferase values were corrected for transfection efficiency using beta-gal. Normalized luciferase values were plotted against dose and EC50 values were determined using GraphPad Prism.
3418	1	Fluorescence Resonance Energy Transfer (FRET) Assay	A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition using an automated robotic system at the UCLA Molecular Screening Shared Resource facility. A FRET assay was used in high-throughput screening in multi-well plates (384 wells per plate). The assay monitors the SrtA-catalyzed hydrolysis of an internally quenched fluorescent substrate analog. Purified SrtA (>95% homogeneity and proper folding was confirmed by 1D H NMR) was incubated with test compound solution. Then fluorescent substrate solution was added to the mixture to initiate the catalysis. The FRET assays were monitored by a Flex Station II plate reader (Molecular Devices) with an excitation and emission wavelengths of 335 and 420 nm, respectively. The assay mixture was measured again after 5 h for end-point reading. For the top ten lead compounds, IC50 was determined by fitting three independent sets of data to the equation. Some of the inhibitors tightly bind to the enzyme such that their IC50 values are lower than the enzyme concentration used in the assay. To accurately define their potency the IC50 values of these compounds were measured at different enzyme concentrations. 
3422	1	DNA Polymerase Assay	For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated for 30 s. Four microlitres of each sonicated sample were mixed with 16 uL of enzyme (final 0.05 units) in reaction buffer, and kept at 0 deg C for 10 min. These inhibitor-enzyme mixtures were added to 16 uL of each enzyme standard reaction mixture containing DNA template-primer and nucleotide, and incubated at 37 deg C for 60 min. Activity without the inhibitor was considered 100%, and the remaining activity at each concentration of the inhibitor was  determined relative to this value. One unit of pol activity was defined as the amount of enzyme that catalyzed the incorporation of 1 nmol of dNTP (i.e., dTTP) into synthetic DNA template-primer in 60 min at 37 deg C under the normal reaction conditions.
3423	1	Phosphotyrosine (PY) ELISA	Cells used were tumor cell lines naturally expressing high levels of tyrosine kinases. Expression levels at the RNA level were derived from the NCI Developmental Therapeutics Program (NCI-DTP) web site public molecular target information (http://www.dtp.nci.nih.gov/mtargets/mt_index.html). Briefly, cells at 60-75% confluence are placed in serum-free medium for 18 h to reduce the background of phosphorylation. Cells were always >98% viable by Trypan blue exclusion. Cells are then pre-treated for 60 min with various concentrations of test compound, followed by growth factor. The reaction was stopped and cells permeabilized by quickly removing the media from the cells and adding ice-cold Tris-buffered saline (TBS) containing 0.05% triton X-100, protease inhibitor cocktail and tyrosine phosphatase inhibitor cocktail. The TBS solution is then removed and cells fixed to the plate by 30 min at 60 deg C and further incubation in 70% ethanol for an additional 30 min. Cells are further exposed to block (TBS with 1% BSA) for 1 h, washed, and then a horseradish peroxidase (HRP)-conjugated phosphotyrosine antibody added overnight. The antibody was removed; cells are washed again in TBS, exposed to an enhanced luminol ELISA substrate (Pierce Chemical, Rockford, IL, USA) and light emission measured using an UV Products (Upland, CA, USA) BioChemi digital darkroom. Data were graphed as a percent of cells receiving growth factor alone and IC50 values estimated from 2-3 separate experiments (n=8-24) using Prism 5.0.
3427	1	Fluorescence-Based RNase H Assay	Enzyme activity was measuring substrate hydrolysis of RNase H. The intact substrate has a low background fluorescent signal and provides up to 50-fold fluorescent signal enhancement following hydrolysis. RNA/DNA hybrid substrate was added to microplate wells contained test compound in reaction buffer. Reactions were started by the addition of enzyme to each well of the microplate. Samples were mixed and the plates were incubated at room temperature for 30 min. The reactions were quenched by the addition of 0.5 M EDTA. Fluorescence intensity in each well was assessed using an excitation wavelength of 490 nm and an emission wavelength of 528 nm, with cutoff filter set to 515 nm.
3428	1	Factor XIIa Dose Response Confirmation from Single Well HTS	HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These compounds were plated as single components of 384 well plates at 0.5 mM stock concentration, and were diluted 50-fold into 10 ul 384 well assay plates (final concentration 10 uM each compound). The assay used to test for percent inhibition was a fluorescence assay utilizing hydrolysis of with Boc-Gln-Gly-Arg-AMC. Percent activity was calculated for each dilution of each compound from the signal in fluorescence units (FU) and the mean of the plate controls and the mean of the plate blanks. Dose response curves of percent activity were fit using XLfit equation 205 (four parameter logistic fit with maximum percent activity and minimum percent activity fixed at 100 and 0, respectively). Compounds that gave percent inhibition >40 in the primary HTS were judged to be hits and these compounds were selected for follow-up IC50 testing. IC50 values were determined as described in protocol above. A zero in the IC50 field indicates that >50% enzyme activity remained at the maximum compound concentration tested (50 uM), so the IC50 lies outside the range of compound concentrations tested and can be inferred to be >50 uM. The percent activity at the maximum concentration is reported and can be used to estimate the potency of compounds for which the IC50 values were >50 uM.
3429	1	Thrombin 1536 HTS Dose Response Confirmation	HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, which were diluted 500-fold into 5 ul 1536 well assay plates (final concentration 5 uM each compound). This assay was performed as a counterscreen to compare with a separate HTS campaign to isolate inhibitors of the strong protein-protein interactions among fibrin monomers responsible for fibrin gel formation. Since any inhibitors of the proteolytic activity of alpha-thrombin would inhibit an assay to detect fibrin formation, this counterscreen will identify direct alpha-thrombin inhibitors. The assay used to test for percent inhibition was a fluorescence assay utilizing hydrolysis of Boc-Val-Pro-Arg-AMC. alpha-thrombin (5.5 ng/mL) was incubated with Boc-Val-Pro-Arg-AMC substrate (15 uM) in 5 uL of assay buffer for 30 min at room temperature. Percent activity was calculated for each dilution of each compound from the signal in fluorescence units (FU) and the mean of the plate controls and the mean of the plate blanks. Dose response curves of percent activity were fit using XLfit equation 205 (four parameter logistic fit with maximum percent activity and minimum percent activity fixed at 100 and 0, respectively). Compounds that gave percent inhibition >40 in the primary HTS were judged to be hits and these compounds were selected for follow-up IC50 testing. IC50 values were determined as described in protocol above. The percent activity at the maximum concentration is reported and can be used to estimate the potency of compounds for which the IC50 values were >50 uM.
3430	1	Assay of RT RNH Activity	To assess the effect of inhibitors, RT RNH activity was measured using a FRET-based microplate fluorescence assay. Briefly, the RNA-DNA hybrid duplex was added to individual wells of a 96-well microplate containing test compound. Reactions were initiated by the addition of HIV-1 RT and allowed to proceed at 37 deg C for 30 min. Reactions were quenched by the addition of EDTA (0.5 M). Fluorescence intensity was assessed using an excitation wavelength of 490 nm and an emission wavelength of 528 nm, with cutoff filter set to 515 nm. 
3430	2	Assay of RT RNA-Dependent DNA Polymerase (RDDP) Activity 	HIV-1 RT RDDP activity was generally determined by a fixed time assay. Briefly, reaction mixtures contained p51/p66 RT, template-primer, and [3H]-TTP substrate. Aliquots of  DMSO solutions containing the inhibitor were added such that the final DMSO concentration was < 2%. Reaction assays were incubated at 37 deg C for 10-20 min and then quenched with sodium pyrophosphate in 10% trichloroacetic acid (TCA). The samples were then filtered on Whatman 934-AH glass fiber filters and washed with 10% TCA and ethanol, and the radioactivity determined by liquid scintillation spectrometry.
3432	1	FRET-Based RNase H Assay	RNaseH assays were performed using an 18-nucleotide 3-fluorescein-labeled RNA annealed to a complementary 18-nucleotide 5-dabcyl conjugated DNA. The increase in fluorescence as a result of RNase H hydrolysis was monitored with a Spectramax Gemini EM fluorescence spectrometer. Data were analyzed using the instrument manufacturer SoftMax pro software. To determine IC50 values, the slope of the curve representing the time dependent increase in fluorescence was determined at 10 min, when initial rate conditions are met and substrate depletion is not significant. The slope values were plotted against the logarithm of the inhibitor concentrations, and IC50 values were determined using SigmaPlot software. The two previously characterized RNase H inhibitors beta-thujaplicinol and manicol were used as positive controls, yielding IC50 values in agreement with previously published data (250 +/- 23 nM for thujaplicinol and 0.6 +/- 0.09 uM for manicol). 
3433	1	Protein Kinase Assays	Classical and novel PKC isotypes were assayed by scintillation proximity assay technology. In brief, the assay was performed in reaction buffer by incubating peptide substrate, [33P]ATP/ATP (10 uM), and PKC at a protein concentration varying from 25 to 400 ng/ml, and lipid vesicles containing 30 mol% phosphatidylserine, 5 mol% diacylglycerol (DAG), and 65 mol% phosphatidylcholine at a final lipid concentration of 0.5 uM. Incubation was performed for 60 min at room temperature. The reaction was stopped by adding streptavidin-coated scintillation proximity assay beads (GE Healthcare, Chalfont St. Giles, Buckinghamshire, UK) in PBS without Ca2+ and Mg2+. Incorporated radioactivity was measured in a MicroBetaTrilux counter (PerkinElmer, Schwerzenbach, Switzerland) for 1 min. 
3435	1	Cathepsn S Inhibition Assay	Enzyme assays were run using fluorescence resonance energy transfer-based substrates, (Aedens)EKARVLAEAA(Dabcyl)K-amide and cathepsin S cleaves between amino acids Leu-6 and Ala-7. The fluorescence of the aedens group is quenched by the dabcyl moiety in the intact peptide. Upon cleavage by cathepsin S, the quenching is released and the fluorescence of the aedens group can be measured. The increase in fluorescence was measured on a Cytofluor II (Applied Biosystems, Foster City, CA) with an excitation filter of 360/40 nm and an emission filter of 460/40 nm. A reading was made every minute for 20 to 60 min, and the slope obtained from a linear regression of this time course was used as the reaction rate. The reaction rates were determined for different inhibitor concentrations, and the percentage of inhibition was determined by comparison with the reaction rate in the absence of inhibitor. IC50 values were determined by four parameter fits of plots of the percentage of inhibition versus inhibitor concentration using the program GraFit (Erithacus Software Ltd.).
3436	1	Pin1 Enzymatic Activity Assay	The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 nm. The assay solution, consisting of Pin1, subtilisin, and test compound, was initiated by adding peptide substrate. The reaction was monitored continuously at 390 nm using Beckman DU-7400 diode array spectrophotometer.
3437	1	Scintillation Proximity Assay (IC50) and PPAR gamma Transactivation Assay (EC50)	Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA beads (Amersham). The plates were sealed with press-on adhesive sealer and covered with aluminum foil. The plates were incubated at room temperature while shaking at 700 rpm on an IKA-Schuttler MST 4 titer plate shaker for one hour. After 30 min of settling, radioligand displacement was measured using a Wallac scintillation counter (Wallac Trilux 1450 Microbeta Liquid Scintillation and Luminescence counter). Ligand binding was calculated as percent displacement of total radioligand binding (DMSO control). The binding signal (cpm) in duplicates was plotted as a function of compound concentrations (M) and the plot was fitted to an equation by non-linear regression and IC50 derived from those plots using Spotfire. All experiments were repeated twice and the geometric mean was calculated for each IC50. HepG2 cells were transfected under standard conditions with Gal4RE-luciferase, Gal4:PPAR LBD and CMV beta-gal using Fugene 6. Transfected cells were treated with compounds for 18-24 h, lysed and luciferase and beta-gal assays performed (Promega) using a Dynex luminometer and Molecular Devices Plate reader. Luciferase values were corrected for transfection efficiency using beta-gal. Normalized luciferase values were plotted against dose and EC50 values were determined using GraphPad Prism.
3439	1	CK2 Phosphorylation Assay	Inhibitory effect of test compound was assessed in reaction buffer containing purified CK2, synthetic peptide substrate, and [gamma-33P]ATP. Assays were stopped by addition of 0.5 M orthophosphoric acid before spotting aliquots onto phosphocellulose filters. Filters were washed in 75 mM phosphoric acid (5-10 mL/each) four times then once in methanol and dried before counting. Inhibition constants were determined from Lineweaver-Burk double-reciprocal plots of data obtained in experiments run at fixed concentration of peptide substrate and at increasing concentrations of ATP either in the absence or in the presence of variable concentrations of inhibitor. Alternatively inhibition constants were also deduced  from the IC50/Ki Cheng-Prusoff relationship.
3440	1	In Vitro Protein Kinase Assay 	NSC 109555 was diluted in water. All other drugs were dissolved in DMSO, in which case the final DMSO concentration in reactions was 10%, and the controls were performed under comparable conditions. Recombinant Chk2 was incubated with either histone H1 (or GST-Cdc25C) in reaction buffer, and incubated at 30 deg C for indicated times. For the drug inhibition experiments, samples were coincubated with drug during the reactions. Reactions were stopped by adding sample buffer, and samples were boiled for 5 min. Reaction products were separated by 4-20% SDS-PAGE. Chk2 protein kinase activity, measured as 32P incorporation into Chk2, histone H1 (or GST-Cdc25C), was determined using a PhosphorImager (GE Healthcare, Chalfont St. Giles, Buckinghamshire, UK). Densitometry was performed using Image-Quant.
3440	2	IMAP High-Throughput Screening	The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developmental Therapeutics Program (DTP) Open Repository were solubilized and diluted in DMSO and initially tested at one concentration in the assay. Active compounds were subsequently titrated at 20 2-fold dilutions. Reactions were performed using recombinant Chk2 with the indicated  drug concentrations in reaction buffer in 384-well black microplate (Greiner Bio-One, Longwood, FL)] for 60 min at room temperature. IMAP binding reagent was added to each well, plates were incubated for 30 min at room temperature, and fluorescence polarization was measured using a Tecan Ultra plate reader. Each screening plate contained staurosporine as a positive control.
3441	1	Glycogen Phosphorylase Enzyme Assay	The enzymatic inhibition of phosphorylase activity was monitored using microplate reader (Bio-Rad). In brief, GPa activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phosphate. Each compound was dissolved in DMSO and diluted at different concentrations for IC50 determination. The enzyme was added into the buffer containing compound, glucose-1-phosphate, and 1 mg/mL glycogen in 96-well microplates (costar). After the addition of ammonium molybdate and malachite green, reactions were run at 22 deg C for 25 min. And then the phosphate absorbance was measured at 655 nm. The IC50 values were estimated by fitting the inhibition data to a dose-dependent curve using a logistic derivative equation.
3441	2	Glucokinase Enzyme Assay	The GK activity was assessed spectrometrically by a coupled reaction with glucose-6-phosphate dehydrogenase (G6PDH). Briefly, GK catalyzes glucose phosphorylation to generate glucose-6-P, which was oxidized by the G6PDH with the concomitant reduction of NADP. The product NADPH was then monitored by the increase rate of absorbance at 340 nm in a plate reader (SpectraMax 190; Molecular Devices, USA). For EC50 determination, different concentrations of compounds were tested in the assay, and the fold changes in activity versus controls were fitted to sigmoidal curve using a four parameter logistic model in GraphPad Prism 4.
3444	1	Enzyme Inhibition Assay	Phosphorylase activity was measured in the direction of glycogen synthesis by the release of orthophosphate from Glc-1-P. The enzyme was assayed in glycogen with various concentrations of Glc-1-P, AMP and inhibitors. Inorganic phosphate released in the phosphorylase reaction was determined. Ki values, at each concentration of inhibitor, were then determined by plotting Km(app) versus inhibitor concentration. 
3445	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indicator, working at the absorbance maximum of 557 nm. The inhibition constants were obtained by nonlinear least-squares methods. The IC50 was obtained by using curve-fitting algorithm, and Ki values were calculated by using the Cheng-Prusoff equation. The catalytic activity of these enzymes was calculated from Lineweaver-Burk plots, and represent the mean from at least three different determinations.
3448	1	Determination of Inhibitory Potencies by Coupled ATPase Activity Assay	Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations. In a plastic cuvette, the enzyme and the inhibitor were incubated 37 deg C in the assay buffer containing the enzyme pyruvate kinase and lactate dehydrogenase. After checking for potential background rates of NADH oxidation, the reaction was started by adding ATP. Rates of the rate-limiting NADH oxidation were determined spectroscopically for 5 min with a spectrophotometer operating at a wavelength of 340 nm. ATP hydrolysis rates as a function of inhibitor concentration were fit to a three-parameter logistic equation (amplitude, offset, and IC50). The IC50 was the concentration of inhibitor that caused inhibition of half of the ATPase activity observed in the absence of inhibitor. Reported IC50 values were the average of at least three independent trials.
3449	1	Determination of Inhibitory Potencies by Coupled ATPase Activity Assay	Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations. In a plastic cuvette, the enzyme and the inhibitor were incubated 37 deg C in the assay buffer containing the enzyme pyruvate kinase and lactate dehydrogenase. After checking for potential background rates of NADH oxidation, the reaction was started by adding ATP. Rates of the rate-limiting NADH oxidation were determined spectroscopically for 5 min with a spectrophotometer operating at a wavelength of 340 nm. ATP hydrolysis rates as a function of inhibitor concentration were fit to a three-parameter logistic equation (amplitude, offset, and IC50). The IC50 was the concentration of inhibitor that caused inhibition of half of the ATPase activity observed in the absence of inhibitor. Reported IC50 values were the average of at least three independent trials.
3450	1	5-HT6 Binding Assay	Radioligand binding assays were performed using membranes from HEK-293 transfected with human 5-HT6 receptor. In these membranes the receptor concentration is 2.18 pmol/mg proteins and the protein concentration is 9.17 mg/mL. The incubation was initiated by addition of membrane to reaction buffer contained radioligand in the presence of test compound. And the incubation time was 60 min at 37 deg C. After incubation, the membranes were collected onto polyethylenimine-pretreated glass fiber filters. Radioactivity was determined by scintillation counting. Nonspecific binding was determined with 100 uM serotonin. Competition binding data were analyzed by using the LIGAND program, and assays were performed in triplicate determinations for each point. A linear regression line of data points is plotted, from which the concentration of competing ligand which displaces 50% of the specific binding of the radioligand (IC50 value) is determined and the Ki value is determined based upon the Cheng-Prusof equation. Ki was calculated when inhibition at 100 nM > 70%.
3451	1	HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1	The aim is to identify chemical probes of Bfl-1 through a fluorescence polarization assay (FPA) using FITC-Bid BH3 peptide. 1) Dose-response curves contained 10 concentrations of compounds obtained using 2-fold serial dilution. Compounds were serially diluted in 100% DMSO, and then diluted with water to 10% final DMSO concentration. 4 uL compounds in 10% DMSO were transferred into columns 3-22 of Greiner 384-well black small-volume plates (784076). Columns 1-2 and 23-24 contained 4 uL of 10% DMSO. 2) Columns 1-2 were reserved for positive controls and added with 8 uL of assay buffer using WellMate bulk dispenser (Matrix). 3)8 uL of Bfl-1 working solution was added to columns 2-24 using WellMate bulk dispenser (Matrix). Columns 23-24 represent negative control wells. 4) Plates were incubated for 1h at +4oC. 5)8 uL of freshly prepared FITC-Bid working solution was added to the whole plate using WellMate bulk dispenser (Matrix). 6) Plates were incubated for 4h at room temperature protected from direct light. 7) Fluorescence polarization was measured on an Analyst HT plate reader (Molecular Devices, Inc) using fluorescein filters: excitation filter - 485 nM, emission filter # 530 nM, dichroic mirror # 505 nM. The signal for each well was acquired for 100 ms. 8) Data analysis was performed using sigmoidal dose-response equation through non-linear regression.
3452	1	HIV-1 RT-RNase H  MLSCN MH077605 Probe Assessment: Dose response Assay	A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throughput screening for inhibitors of HIV-1 RT-RNH. The substrate is an 18 nucleotide 3 - fluorescein labeled RNA annealed to a complementary 18 nucleotide 5 - DABCYL modified DNA. The intact duplex has an extremely low background fluorescent signal and provides up to 50-fold fluorescent signal enhancement following hydrolysis. The size and sequence of the duplex are such that RT-RNH cuts the RNA strand four nucleotides from the 3-end. The labeled tetraribonucleotide readily dissociates from the complementary DNA at ambient temperature with immediate generation of a fluorescent signal. The assay is rapid, inexpensive and robust, providing Z factors of 0.8 and coefficients of variation of about 5%. The assay requires only two addition steps with no washing and is thus suitable for robotic operation. Plate 10 uL of 100 uM compound in 10% DMSO into 320 wells of a 384-well black polystyrene plate (VWR catalog 82051-272). Use the PMLSC Rapid 320 plate map. Actives identified in the HIV RNase H primary HTS, were confirmed by re-screening at 10 uM in duplicate wells, AID (pending). If the compound was active in the primary HTS, and the % inhibition in both of the confirmation duplicate tests was > 50%, it was followed up in 10-point IC50 dose response assays.
3453	1	HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate	The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the assay PMI activity is detected through conversion of its product, fructose-6-phosphate, to glucose-6-phosphate catalyzed by phosphoglucose isomerase (PGI) and subsequent oxidation of glucose-6-phosphate to 6-phosphogluconolactone concomitant with NADP-to-NADPH conversion catalyzed by glucose-6-phosphate dehydrogenase (G6PDH). The NADPH is then detected via a resazurin-diaphorase fluorogenic reaction. This assay is performed in the presence of 10x-Km concentrations of the PMI substrate, mannose-6-phosphate, to help to ensure the identification of non-competitive inhibitors. 1) 9 uL of Substrate working solution was added to columns 3-24 of a Greiner 384-well black plate (cat # 784076) using a WellMate bulk dispenser (Matrix) 2) 9 ul of Substrate working solution without mannose-6-p was added to columns 1 and 2 (positive control) 3) Dose-response curves contained 10 concentrations of compounds obtained using 2-fold serial dilution. Compounds were serially diluted in 100% DMSO, and then diluted with water to 10% final DMSO concentration. 4) 2 uL compounds in 10% DMSO were transferred into columns 3-22. Columns 1-2 and 23-24 contained 4 uL of 10% DMSO. 5) 9 uL of Enzyme working solution was added to the whole plate using a Thermo Multidrop Combi dispenser. 6) Plates were incubated at room temperature for 30 min. 7) The plates were read on an Analyst plate reader (Molecular Devices), Ex544, Em590. 8) Data analysis was performed using CBIS software (ChemInnovations, Inc).
3454	1	Pim Kinase Assay 	In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with gamma-[33P] ATP. Reactions were quenched after 1 h by the addition of stop buffer. Eighty microliters of the stopped reactions were transferred to 384-well streptavidin-coated plates (Flash-Plate Plus, Perkin-Elmer), incubated 30 min at room temperature and washed three times. Radioactivity was counted on a TopCount Scintillation Plate Reader (Packard).
3459	1	Kinase Inhibition Assay	Phosphorylation reactions were monitored using a coupled-enzyme assay in which ADP production was coupled to NADH oxidation by pyruvate kinase and lactate dehydrogenase. The assay was carried out in  a buffer containing phosphoenolpyruvate, NADH, pyruvate kinase, lactate dehydrogenase, and PIM kinase. The reaction was monitored at 340 nm at 25 deg C on a Spectramax spectrophotometer (Molecular Devices) and started by addition ATP after a 10-min preincubation at 25 deg C. A recognition peptide of the PIM1 substrate p21 (RKRRQTSMTD) was used. DMSO-dissolved inhibitors were added at the preincubation period resulting in a 2% final DMSO. Kinetic analysis was done by nonlinear regression fitting using the program KaleidaGraph (Synergy Software).
3460	1	Fluorescence Anisotropy Competition Binding Assay	Inhibitory activities of NAPAs were measured by fluorescence anisotropy competition experiments.  Protein was incubated with fluorescein-labeled human p53 peptide in the presence of test compound. Experiments were performed with a 70-fold molar excess of protein over labeled p53-peptide to ensure that the peptide is completely bound by the protein. Under these conditions, there is no difference in the minimum fluorescence polarization values between direct and competition assays. Fluorescence anisotropy was measured at 25 deg C on a Beacon 2000 (PanVera, Madison, WI). Data points were measured in triplicate. IC50 values were calculated by nonlinear regression curve fitting.
3462	1	LXRbeta Binding Assay (IC50) and LAFbeta Functional Assay (EC50)	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXRbeta coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates. LAFbeta assay determined the agonist potency of test compounds and their efficacy relative to T0901317 in CHO cells stably transfected with hLXRbeta using secreted alkaline phosphatase as the reporter gene, driven by multiple response elements for LXRbeta.
3464	1	LXR Binding Assay and hLXR Reporter Assay	Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test compound was analyzed in duplicate. Bound radioactivity was measured in a Wallac Microbeta normalized for flashplates. Huh-7 human hepatoma cell based Gal4 transactivation assays were used to assess the agonist potency and efficacy. EC50 values were determined from dose response curves represented measurement at 12 concentrations, each concentration was measured in quadruplicates. Efficacy was measured relative to T0901317.
3466	1	PKC IMAP Kinase Assay	All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well plate (Corning Costar 3710). The fluorescence polarization was measured on an Envision 2100 (PerkinElmer Life Sciences).
3470	1	PKC Enzyme Assay	Protein kinase C (PKC), zeta activity was measured by following the phosphorylation of a biotinylated peptide substrate in the presence of ATP using AlphaScreen technology (Perkin Elmer, Waltham, MA).  The AlphaScreen assay format relies on bringing a streptavidin coated donor bead and an IgG-protein A acceptor bead into proximity through the interaction between biotinylated phosphorylated peptide and a phospho-specific antibody to the peptide. Upon excitation of the donor bead at 680 nm, excited state singlet oxygen is produced and diffuses to acceptor beads in close proximity (200 nm), activating a cascade of fluorophores resulting in emission between 520-620 nm. Kinase activity is quantified through the evaluation of this emission signal. Compounds are evaluated as potential inhibitors of the PKC kinase activity by measuring their effects on the phosphorylation of the peptide substrate.  IC50 value determinations were made for potential inhibitors by testing compounds at 12 concentrations in three-fold serial dilutions with each concentration tested in triplicate. Reactions were carried out for 60 minutes at room temperature. Reactions were then quenched by addition of stop solution. Stop solution included AlphaScreen acceptor and donor beads as well as phospho-specific antibody #2261(Cell Signaling).  Plates were then read on a Fusion reader after an overnight equilibrium at room temperature.   
3472	1	Caspase-3 Inhibition Assay	Caspase-3 was assayed at 23 deg C (room temp) in 96-well plates using the internally quenched tetrapeptide substrate. Enzymatic cleavage between the aspartate and the AFC fluorophore liberates 7-amino-4-trifluoromethyl coumarin which is detected using an excitation wavelength of 400 nm and an emission wavelength of 505 nm in a SpectraMax GeminiXS plate reader operated at room temperature. A steady state rate of substrate cleavage is obtained for analysis. For IC50 determination, typically 11 concentrations were freshly prepared by serial dilution with assay buffer containing no cysteine with substrate added to the assay well. Once substrate and inhibitor were added to the assay plate, the reaction was initiated by addition of enzyme, prepared in assay buffer containing cysteine. AFC production was monitored continuously for 90 min by exciting at 400 nm and measuring the emission at 505 nm every 42 s. 
3474	1	Radioligand Binding Assay (Ki)	Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (hNET). Data from wells containing 1 uM desipramine were used to define non-specific hNET binding. Total radioligand bound is defined by addition of binding buffer alone in the presence of [3H]nisoxetine (Perkin-Elmer). The radioligand binding reaction was initiated by addition of [3H]nisoxetine, and incubated for 2 h at 37 deg C. The KD value estimated for [3H]nisoxetine was 10 nM using intact whole cells. The inhibition constant (Ki) was calculated by the Cheng and Prusoff equation.
3474	2	Radioligand Binding Assay (Ki) and Norepinephrine Uptake Assay (IC50)	Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (hNET). Data from wells containing 1 uM desipramine were used to define non-specific hNET binding. Total radioligand bound is defined by addition of binding buffer alone in the presence of [3H]nisoxetine (Perkin-Elmer). The radioligand binding reaction was initiated by addition of [3H]nisoxetine, and incubated for 2 h at 37 deg C. The KD value estimated for [3H]nisoxetine was 10 nM using intact whole cells. The inhibition constant (Ki) was calculated by the Cheng and Prusoff equation. IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET. 
3474	3	Norepinephrine Uptake Assay (IC50)	IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET. 
3476	1	Neutrophil Elastase (HNE) Inhibition Assay	To evaluate inhibitory effect of test compound, HNE was preincubated with each compound in the assay solution at 37 deg C for 4 min. The reaction was started by addition of substrate. Hydrolysis of the substrate to pNA was continuously measured spectrophotometrically by monitoring absorbance at 404 nm. IC50 value was estimated using non-linear regression of data to a logistic function.
3477	1	Enzyme Inhibition Assay	Time-dependent optical density change was followed at 405 nm using a kinetic microplate reader at room temperature. Enzyme activity in the presence of inhibitor was expressed as fraction of a DMSO control and curve fit to the equation: activity= control activity / (1 + [I]/ IC50) using Excel Fit. The IC50 value is that concentration causing half maximal inhibition. 
3479	1	In Vitro BRAF Kinase Assay	The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s AlphaScreen technology.
3479	2	Homogeneous Time-Resolved Fluorescence (HTRF) Enzyme Assay	The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophore)-labeled a ntiphosphotyrosine and streptavidin labeled with APC (allophycocyanin), which have been brought together by a binding reaction. When the two entities come into close proximity and upon excitation, energy transfer occurs and APC re-emits at 665 nm. Relative fluorescence units were read on a Ruby Star fluorescent reader (BMG Technologies, Inc.) using a four-parameter fit using activity base to calculate the corresponding IC50 for the test and standard compounds in each well.
3481	1	GPa Inhibition Assay	RMGPa (Rabbit Muscle Glycogen Phosphorylase a) activity was measured in the direction of glycogen synthesis by the formation of inorganic phosphate from glucose-1-phosphate using a 384 well plate at 22 deg with a 30 min incubation time. Phosphate was measured at 620 nm, 5 min after the addition of ammonium molybdate and malachite green. Test compounds were added to the assay. Compounds were tested against a caffeine standard in 11 point concentration-response curve in duplicate on two separate occasions. Data was analyzed using GraphPad Prism v.4.03.A nonlinear regression (curve fit) analysis with a sigmoidal dose-response equation (variable slope) was applied to generate IC50 and Hill slope values. The reported IC50 had a Hill slope between 0.7 and 1.2 and a Z value of ~0.8. Compounds were screened with maximal concentrations of 222 uM. The assay was carefully monitored for signs of compound insolubility. The results are presented as mean values from 4 determinations. Samples used in screening were of 98-100% purity.
3482	1	Glycogen Phosphorylase Activity Assay	The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH.  Enzyme activity was assayed at pH 6.8 in phosphate buffer containing beta-NADP, alpha -glucose 1,6-bisphosphate, glucose-6-phophate dehydrogenase, phosphoglucomutase, glycogen, and glucose. The basal rate of hLGPa enzyme activity in the absence of inhibitors (Control) was determined by adding DMSO alone, and a fully-inhibited rate of hLGPa enzyme activity was obtained by adding the positive control test substance, 200 mM caffeine. The reaction was started by adding hLGPa solution (beta-glycerophosphate and cystein, pH 6.8). The reaction took place at room temperature, and the conversion of oxidized beta-NADP to reduced beta-NADPH was measured at 340 nm for 2 h. The hLGPa inhibition IC50 values were calculated using the logistic regression method and SAS software.
3483	1	In vitro MKP-1 Phosphatase HTS Dose Response Confirmation Assay	The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors screened at the PMLSC AID #374.The MKP-1 Phosphatase HTS Dose Response Confirmation Assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low mole
3484	1	In vitro MKP-1 Phosphatase Dose Response SAR Support Assay 	The MKP-1 dose response assay SAR support Assay - has been developed to test the activity of a series Analog compounds synthesized by the PMLSC Chemistry Core based on  MKP-1 inhibitors identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors AID 374 and subsequently confirmed in the MKP-1 HTS dose response confirmation assay AID 551. The MKP-1 Phosphatase dose response SAR support assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four s
3485	1	Cathepsin B mixture HTS dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 One of our goals at the Penn Center for Molecular Discovery (PCMD) is to develop capabilities for screening multiple members of target classes, for example cysteine and serine proteases. Many HTS labs focus effort on one target of interest within a class due to resource and time constraints. A few compounds are then tested for selectivity against additional target class members during the hit-to-lead process. Our goal is to test the entire MLSCN compound library against multiple cysteine and serine proteases to obtain a profile of activity against these enzymes classes. This profile may then be used to immediately identify selective compounds during subsequent screening of novel enzyme targets. It may also be possible to identify a subset of t
3486	1	Inhibition of NQO1 (With 2 uM BSA)	Recombinant human NQO1 was obtained from Sigma and diluted in 50 mM phosphate buffer to give an absorbance of 0.1 at 550 nm; 5 uL of this solution was then mixed with 495 uL of 50 mM phosphate buffer at pH 7.5 containing 200 uM NADH, 70 uM cytochrome c, 20 uM menadione, with 2 uM BSA, and various concentrations of the potential inhibitor dissolved in DMSO (final concentration 1.0% v/v). On some occasions, potential inhibitors were dissolved in 0.13 M NaOH. Reactions were carried out at 25 deg C and cytochrome c reduction was monitored at 550nm in a BeckmanDU650 spectrophotometer. IC50 values were determined using nonlinear curve fitting as implemented in the program Excel for which a 50% reduction of the initial rate was attained.
3488	1	HCV RNA-Dependent RNA Polymerase Assay	Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 min before the addition of NTPs. Alternatively, compounds were added to the preformed polymerase/template complex and incubated at RT for 10 min before the addition of 10 uM UTP, 2 uCi 3H-UTP. Elongation proceeded for 1 hr at RT and the activity was measured as acid insoluble radioactivity. In the single turnover experiments, elongation reaction was started by addition of nucleotides and 50 ng/ul heparin. IC50 values were calculated using three parameters logistic equation and inhibition data were fitted by Kaleidagraph software.
3488	2	HCV RNA-Dependent RNA Polymerase Assay (IC50)	Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 min before the addition of NTPs. Alternatively, compounds were added to the preformed polymerase/template complex and incubated at RT for 10 min before the addition of 10 uM UTP, 2 uCi 3H-UTP. Elongation proceeded for 1 hr at RT and the activity was measured as acid insoluble radioactivity. In the single turnover experiments, elongation reaction was started by addition of nucleotides and 50 ng/ul heparin. IC50 values were calculated using three parameters logistic equation and inhibition data were fitted by Kaleidagraph software.
3490	1	mTOR Kinase Assay	The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. The DELFIA detection of the phosphorylated (Thr-389) His6-S6K was performed at room temperature using a monoclonal anti-P(T389)-p70S6K antibody (1A5, Cell Signaling) labeled with Europium-N1-ITC (Eu) (10.4 Eu per antibody, PerkinElmer).
3492	1	mTOR Kinase Assay	The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. The DELFIA detection of the phosphorylated (Thr-389) His6-S6K was performed at room temperature using a monoclonal anti-P(T389)-p70S6K antibody (1A5, Cell Signaling) labeled with Europium-N1-ITC (Eu) (10.4 Eu per antibody, PerkinElmer).
3494	1	Glycogen Phosphorylase Activity Assay	The activity of recombinant human liver GPa in the forward direction was measured by monitoring the production of NADPH.  Enzyme activity was assayed at pH 6.8 in phosphate buffer containing beta-NADP, alpha -glucose 1,6-bisphosphate, glucose-6-phophate dehydrogenase, phosphoglucomutase, glycogen, and glucose. The basal rate of hLGPa enzyme activity in the absence of inhibitors (Control) was determined by adding DMSO alone, and a fully-inhibited rate of hLGPa enzyme activity was obtained by adding the positive control test substance, 200 mM caffeine. The reaction was started by adding hLGPa solution (beta-glycerophosphate and cystein, pH 6.8). The reaction took place at room temperature, and the conversion of oxidized beta-NADP to reduced beta-NADPH was measured at 340 nm for 2 h. The hLGPa inhibition IC50 values were calculated using the logistic regression method and SAS software.
3495	1	Ki Determination	A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PEP. LDH reduces pyruvate to lactate with the oxidation of NADH. NADH depletion was monitored at 340 nm using a microplate reader. The IC50 was evaluated from the data as a function of inhibitor concentration. The Ki value was calculated according to the Cheng-Prusoff approximation.
6501	4	Radioligand Binding Assay	Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid receptor expressend in CHO-K1 cells; Perkin Elmer) in a final volume of 500uL binding buffer (5mM MgCl2, 5% DMSO, 50mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 uM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500uL ice-cold binding buffer. Filter plates were subsequently dried at 50C for 1-2 hours. Fifty uL/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
3499	1	Binding Assay for Human V2 Receptor	The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cells expressing human V2 receptors.. For the competitive binding study, drug compound solution and [3H]vasopressin were mixed with membrane suspension in reaction buffer. This mixture was  incubated at room temperature for 60 min. Reactions were terminated by filtration through UniFilter GF/B (Perkin-Elmer) using a MicroMate Cell Harvester (Packard Instrument Company, Meriden, CT, USA). The radioactivity retained on the filter was counted by TopCountTM microplate scintillation counter (Perkin-Elmer) using the scintillation cocktail (MicroScinti-40TM, Perkin-Elmer). Nonspecific binding or total binding were determined by including 1 uM AVP or without test compounds in the reaction mixture, respectively. Specific binding was calculated as total binding minus nonspecific binding. The concentration of each compound required to reduce specific binding of [3H]vasopressin by 50% (IC50 value) was obtained by non-linear regression analysis. A Kd value of [3H]vasopressin for each vasopressin receptor was yielded by Scatchard plot analysis. The affinity constants (Ki values) were calculated from the following equation, using the Kd values yielded from each separate experiment. Ki =IC50/(1 + [[3H]vasopressin concentration]/Kd).
3499	2	Binding Assay for Human V1a Receptor	Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-cold hypotonic buffer. Subsequently, cells were collected using a cell scraper and then homogenized using POLYTRON followed by centrifugation at 4 deg C. The supernatant was centrifuged (35,000g, 30 min) at 4 deg C, and the pellet was suspended in Tris buffer as membrane fractions. The affinities of test compounds for human V1a receptor were evaluated by the radioligand binding study. For the competitive binding study, drug compound solution and [3H]vasopressin were mixed with membrane suspension in reaction buffer. This mixture was  incubated at room temperature for 60 min. Reactions were terminated by filtration through UniFilter GF/B (Perkin-Elmer) using a MicroMate Cell Harvester (Packard Instrument Company, Meriden, CT, USA). The radioactivity retained on the filter was counted by TopCountTM microplate scintillation counter (Perkin-Elmer) using the scintillation cocktail (MicroScinti-40TM, Perkin-Elmer). Nonspecific binding or total binding were determined by including 1 uM AVP or without test compounds in the reaction mixture, respectively. Specific binding was calculated as total binding minus nonspecific binding. The concentration of each compound required to reduce specific binding of [3H]vasopressin by 50% (IC50 value) was obtained by non-linear regression analysis. A Kd value of [3H]vasopressin for each vasopressin receptor was yielded by Scatchard plot analysis. The affinity constants (Ki values) were calculated from the following equation, using the Kd values yielded from each separate experiment. Ki =IC50/(1 + [[3H]vasopressin concentration]/Kd).
3500	1	Binding Assay for Human V2 Receptor	The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cells expressing human V2 receptors.. For the competitive binding study, drug compound solution and [3H]vasopressin were mixed with membrane suspension in reaction buffer. This mixture was  incubated at room temperature for 60 min. Reactions were terminated by filtration through UniFilter GF/B (Perkin-Elmer) using a MicroMate Cell Harvester (Packard Instrument Company, Meriden, CT, USA). The radioactivity retained on the filter was counted by TopCountTM microplate scintillation counter (Perkin-Elmer) using the scintillation cocktail (MicroScinti-40TM, Perkin-Elmer). Nonspecific binding or total binding were determined by including 1 uM AVP or without test compounds in the reaction mixture, respectively. Specific binding was calculated as total binding minus nonspecific binding. The concentration of each compound required to reduce specific binding of [3H]vasopressin by 50% (IC50 value) was obtained by non-linear regression analysis. A Kd value of [3H]vasopressin for each vasopressin receptor was yielded by Scatchard plot analysis. The affinity constants (Ki values) were calculated from the following equation, using the Kd values yielded from each separate experiment. Ki =IC50/(1 + [[3H]vasopressin concentration]/Kd).
3502	1	Binding Affinity Assay (Ki) and cAMP Accumulation Activity Assay (EC50)	The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cells expressing human V2 receptors. For the competitive binding study, drug compound solution and [3H]vasopressin were mixed with membrane suspension in reaction buffer. This mixture was  incubated at room temperature for 60 min. Reactions were terminated by filtration through UniFilter GF/B (Perkin-Elmer) using a MicroMate Cell Harvester (Packard Instrument Company, Meriden, CT, USA). The radioactivity retained on the filter was counted by TopCountTM microplate scintillation counter (Perkin-Elmer) using the scintillation cocktail (MicroScinti-40TM, Perkin-Elmer). The concentration of each compound required to reduce specific binding of [3H]vasopressin by 50% (IC50 value) was obtained by non-linear regression analysis. A Kd value of [3H]vasopressin for each vasopressin receptor was yielded by Scatchard plot analysis. The affinity constants (Ki values) were calculated from the following equation, using the Kd values yielded from each separate experiment. Ki =IC50/(1 + [[3H]vasopressin concentration]/Kd). EC50 values were determined as the concentration of the test compound required to increase the cAMP level to 50% of the maximum response to AVP. All assays were performed in triplicate.
3503	1	Radioligand Binding Assay to HeLa Cells 	After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C. For the competition experiment, test compounds were dissolved in dimethyl sulfoxide, diluted with DMEM medium and added into the wells at several appropriate concentrations. After 2 hr of incubation, the cells were rinsed twice with ice-cold phosphate-buffered saline, lysed in 0.1 N NaOH containing 0.1% sodium dodecyl sulfate, transferred into scintillation vials, and detected using a liquid scintillation counter (LSC-1050, Aloka, Tokyo, Japan). The protein content of the lysed cells was determined by the method of Bradford.
3505	1	CA Inhibition Assay	An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol Red (0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, following the CA-catalyzed CO2 hydration reaction for a period of 5-10 s. Saturated CO2 solutions in water at 25 deg C were used as substrate. Stock solutions of inhibitors were prepared at a concentration of 10 mM (in DMSO-water 1:1, v/v) and dilutions up to 0.01 nM. At least seven different inhibitor concentrations have been used for measuring the inhibition constant. Inhibitor and enzyme solutions were preincubated together for 10 min at room temperature prior to assay, in order to allow for the formation of the E-I complex. Triplicate experiments were done for each inhibitor concentration, and the values reported throughout the paper are the mean of such results. The inhibition constants were obtained by non-linear least-squares methods using PRISM 3, and represent the mean from at least three different determinations.
3508	1	CA Inhibition Assay	An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol Red (0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, following the CA-catalyzed CO2 hydration reaction for a period of 5-10 s. Saturated CO2 solutions in water at 25 deg C were used as substrate. Stock solutions of inhibitors were prepared at a concentration of 10 mM (in DMSO-water 1:1, v/v) and dilutions up to 0.01 nM. At least seven different inhibitor concentrations have been used for measuring the inhibition constant. Inhibitor and enzyme solutions were preincubated together for 10 min at room temperature prior to assay, in order to allow for the formation of the E-I complex. Triplicate experiments were done for each inhibitor concentration, and the values reported throughout the paper are the mean of such results. The inhibition constants were obtained by non-linear least-squares methods using PRISM 3, and represent the mean from at least three different determinations.
3509	1	Enzyme Inhibition Assay	The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and human fXa were mixed with reaction buffer. A reaction was started by the addition of substrate S-2222. The absorbance (OD) at 405 nm was monitored every 10 s with a SPECTRAmax 340 microplate spectrophotometer (Molecular Devices, Sunnyvale, CA, USA) at room temperature and the reaction velocity (OD/min) was obtained. The anti-fXa activity (inhibition %) was then calculated. The IC50 value was obtained by plotting the compound concentration against the anti-fXa activity.
3510	1	Enzyme Inhibition Assay	The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and human fXa were mixed with reaction buffer. A reaction was started by the addition of substrate S-2222. The absorbance (OD) at 405 nm was monitored every 10 s with a SPECTRAmax 340 microplate spectrophotometer (Molecular Devices, Sunnyvale, CA, USA) at room temperature and the reaction velocity (OD/min) was obtained. The anti-fXa activity (inhibition %) was then calculated. The IC50 value was obtained by plotting the compound concentration against the anti-fXa activity.
3511	1	Radioligand Binding Assay	Binding assays were performed in a total volume of 250 uL, containing radioligand, membranes and test compounds. Following 60 (A2B, A3) or 90 (A1, A2A) min incubation at 21 deg C, assays were terminated by rapid filtration with GF/B using a Canberra Packard filtermate 196. The radioactivity was assessed using a Canberra Packard TopCount microplate scintillation counter.
3517	1	Prostanoid EP Receptor Binding Assay	Competitive binding studies were conducted using radiolabeled ligands and membrane fractions prepared from Chinese hamster ovary (CHO) cells stably expressing the prostanoid receptors. Membranes were incubated with radiolabeled ligand and test compounds at various concentrations in assay buffer at 25 deg C.  Incubation was terminated by filtration through a Whatman GF/B filter. The filter was subsequently washed with ice-cold buffer, and the radioactivity on the filter was measured in liquid scintillation (ACSII) mixture with a liquid scintillation counter. Nonspecific binding was achieved by adding excess amounts of unlabeled PGE2 in assay buffer. The half maximal inhibitory concentration of specific binding (IC50 value) was estimated from the regression curve. The Ki value was calculated according to the Cheng-Prusoff approximation.
3520	1	GTP-gamma-S Binding Assay	A GTP-gamma-S CB1 functional assay was used to assess the potency of the pyrazine derivatives. [35S]GTP-gamma-S binding assays were performed at 30 deg C fro 45 min in membrane buffer containing membrane protein, GDP and [35S]GTP-gamma-S in the presence of test compounds. Non specific binding was determined in the presence of 20 uM GTP-gamma-S. The reaction was terminated by addition of ice cold wash buffer followed by rapid filtration under vacuum through Printed Filtermat A glass fibre filters (Wallac) using a Micro 96 Harvester. The bound radioactivity was determined using a 1450 Microbeta Trilux (Wallac) scintillation counter.
3521	1	SPA Binding Assay (IC50)	A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measures [3H]-DHT displacement from AR-LBD protein.
3521	2	SPA Binding Assay (IC50) and Coactivator Peptide Competitive FP Assay (IC50/EC50)	A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measures [3H]-DHT displacement from AR-LBD protein. AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2-3 peptide displacement from DHT-bound AR-LBD.
3521	3	Coactivator Peptide Competitive FP Assay (IC50/EC50)	AR functionality was determined by fluorescence polarization (excitation @485 nm, emission @ 530 nm) assay, which measures fluorescently labeled SRC2-3 peptide displacement from DHT-bound AR-LBD.
3523	1	Radioligand Binding Assay	Aliquots of radioligand are dispensed into the wells of 96-well plates. Then, duplicate aliquots of the test and reference compound dilutions are added. Finally, crude membrane fractions of cells expressing recombinant target are dispensed into each well. The reactions are incubated at room temperature and shielded from light (to prevent photolysis of light-sensitive ligands) for 1.5 hours, then harvested by rapid filtration onto Whatman GF/B glass fiber filters using a 96-well Brandel harverster. Four rapid washes are performed with chilled Standard Binding Buffer to reduce non-specific binding. Filters are placed in scintillation tubes, and counted by liquid scintillation counting. Binding data were analyzed using Prism (GraphPad, Dan Diego, CA). The log IC50 (i.e., the log of the ligand concentration that reduces radioligand binding by 50%) is estimated from the data and used to obtain the Ki by applying the Cheng-Prusoff approximation.
3525	1	Enzyme Compound Activity (IC50) and Cell Compound Activity (IC50/EC50)	A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each well of a 384 well assay plate containing test compounds, FP probe, and ATP. Following incubation for 30 min at room temperature, fluorescence polarization was measured on a BMG Labtech PHERAstar plate reader using a 650/690 nm optic module. mP values were then used to calculate IC50 values for each compound tested. IC50/EC50 values were obtained from measurements of compound cellular activity to inhibit nuclear translocation of a GFP-2/Smad2 fusion reporter in MDA-MB-468 cells. 
3526	1	Enzyme Inhibition Assay (Ki) and Antiviral Activity Assay (EC50/IC50)	The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standard curve relating changes in fluorescent intensity to changes in concentration of product was used to convert fluorescent changes into molar velocities. The amount of cleavage was determined by HPLC. IC50 values were determined by using the MTT assay. The IC50 values of saquinavir (SQV) and amprenavir (APV) tested as reference agents were 16 and 27 nM
3528	1	SPR biosensor assay Biacore T100	SPR biosensor assay Biacore T100
3554	1	colorimetric ATPase assay	ATPase assay contained 10 mM Mg2+, 1uM 13/20 DNA, 500uM (r)NTP or (d)NTP, 500 nM gp45, and 500 nM gp44/62 in T4 buffer. ATPase activity was measured by monitoring the release of Pi using a malachite green assay (31) or via the hydrolysis of [gamma-32P]-ATP. Reaction inhibition studies used identical conditions except for the inclusion of variable concentrations of inhibitor (0-400 uM) and a fixed concentration of ATP (32.5 nM [gamma-32P]-ATP and 100 uM unlabeled ATP).
3555	1	Assay name: Protease Inhibition Assay	Protease enzyme inhibition assay targeting diverse member of the cysteine protease families:cathepsin B, Z, and H
3556	1	Enzyme kinetic assay	IC50 measurements and enzyme kinetics assays were performed on a Spectramax M5 fluorescent plate reader (Molecular Devices).
3557	1	Scintillation Proximity Assay	The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. After allowing the reaction to proceed at room temperature for 120 min, wheat germ agglutinin-coated SPA beads (Amersham) was added. The mixture was left to stand for 5 min and then centrifuged. Radioactivity was measured using TopCount (Packard). IC50 values represent means of at least two separate determinations with typical variations of less than +/- 20%.
3557	2	Parasite Proliferation Assay	This parasite proliferation assay, a modification of published DNA intercalating fluorescent dye-based assay, was adapted to 384-well plate format and measures the increase in parasite DNA content using the DNA intercalating dye SYBR Green. Compound 1 exhibited strong potency in both the in vitro biochemical and parasite proliferation assays, which suggests that this compound is potentially acting against PfCDPK1 in vivo. Several other analogs, compounds 7 and 8, exhibited potent enzymatic activity but were inactive in parasite proliferation assays, whereas some analogs displayed low EC50 values in the parasite proliferation assay but were inactive against the enzyme. The EC50 values of all the compounds may be between four- and five-fold higher in the SYBR Green assay compared to the 3H-hypoxanthine-based assay, which measures incorporation of tritium into DNA, as the optimal fluorescent reading conditions required the use of albumax, a lipid-enriched bovine albumin to which small molecules bind. This binding effectively sequesters the drug, thereby reducing the compound concentration and shifting the EC50 to a higher value. A shift in the EC50 due to albumax was also observed for the reference inhibitors chloroquine and artemisinin, which yielded EC50 values of less than 10 nM with the 3D7 strain in the 3H-hypoxanthine-based assay under low protein condition but showed an EC50 in the same range as the best compound in the parasite proliferation assay (70 nM).
3558	1	Wild-type HCT116	Cell proliferation assay for wild-type cells
3558	2	Wild-type IC50 biaryl selected	Cell proliferation assay for wild-type cells
3558	3	Wild-type IC95 biaryl selected	Cell proliferation assay for wild-type cells
3558	4	Wild-type 3x biaryl selected	Cell proliferation assay for wild-type cells
3558	5	HCT116-D130V not selected	Cell proliferation assay for ispinesib-resistant DCT116-D130V cell
3558	6	HCT116-D130V IC50 biaryl selected	Cell proliferation assay for ispinesib-resistant DCT116-D130V cell
3558	7	HCT116-D130V IC95 biaryl selected	Cell proliferation assay for ispinesib-resistant DCT116-D130V cell
3558	8	HCT116-D130V 3x biary selected	Cell proliferation assay for ispinesib-resistant DCT116-D130V cell
3558	10	WT-3x	wild-type HCT116 selected at 3 the IC95
3558	11	WT-6x	wild-type HCT116 selected at 6WT-6x the IC95
3559	1	Kinase assay Dorsalization	The effects on zebrafish embryos with respect to the dorsoventral (DV) axis. For dorsalization, the EC100 (effective concentration 100%) represents the concentration when 100% of the treated embryos are severely dorsalized. As a result of significant day-to-day variability in severity of dorsalization at &#194;sub-threshold concentrations, the EC50 for severe dorsalization could not be reliably determined.
3559	2	Kinase assay intersomitic vessel (ISV) disruption	For ISV disruption, the EC50 represents the concentration when the formation of about 50% of the ISVs is inhibited.
3559	3	Kinase assay toxicity	For nonspecific toxicity, the EC100 represents the concentration when 100% of the treated embryos exhibit either early lethality within hours of compound addition, variable embryonic defects, or developmental delay. For comparison, the effects of the known KDR inhibitor SU5416 are shown at the bottom.
3559	4	in vitro Kinase Assay	Shown are the IC50s (concentrations causing 50% inhibition) of DM and the analogues for the in vitro kinase assays using the following purified human enzymes: the BMP type-I receptor activin receptor-like kinase 2 (ALK2/BMPR-I), the TGF&beta; type-I receptor activin receptor-like kinase 5 (ALK5/ TGF&beta;R-I), the VEGF type-2 receptor (VEGFR2/KDR), the AMP-activated protein kinase (AMPK), and the platelet-derived growth factor receptor-&beta; (PDGFR &beta;). In in vitro kinase assays, DM was relatively nonspecific, targeting ALK2, AMPK, and KDR with IC50s of <250 nM. LDN-193189 was slightly more selective but still had significant effects against ALK5 and KDR. By comparison, DMH1, DMH2, and DMH3 were much more selective ALK2 inhibitors. In particular, DMH1 had no detectible activity against any of the kinases tested besides ALK2. DMH4 was a selective KDR inhibitor with modest effect on ALK2 (IC50 3.6 uM) and minimal effect on AMPK (IC50 8.0 uM).  Nonspecific kinase inhibitor staurosporine was used as a control. All of the reactions were carried out in the presence of 10 uM ATP.
3560	1	VEGF-PLAP	Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)
3560	2	WiDr	Cell proliferation assay using WiDr
3561	1	Drosophilia melanogaster kinase assay	D. melanogaster Polo kinase assays were performed as previously described40, using baculovirus-expressed Polo kinase. Enzyme was immunoprecipitated using antibody to mouse Polo (M294) and protein A beads that were incubated with increasing concentrations of 1 or 10 for 20 min. 5 ul of 1 ug ml 1 of dephosphorylated casein was added to an equal volume of 2 x kinase buffer (20 mM HEPES, pH 7.5, 150 mM KCl, 10 mM MgCl2, 2 mM DTT and 1 mM EGTA). To this mixture was added 5 ul of protein A beads with immunoprecipitated Polo and 1 ul [&gamma;-32P]ATP (10 mCi ml 1, Amersham), and 1.0 ul of 2 mM ATP. The mixture was incubated at 20 &deg;C for 20 min. The phosphorylated substrates were identified by autoradiography after SDS-PAGE.
3562	1	Procaspase-3 Activation Assay	Procaspase-3 activation assay; activation of procaspase-3 to caspase-3. 
3562	2	Procaspase-7 Activation Assay	Procaspase-7 activation assay; activation of procaspase-7 to caspase-7. 
3563	1	RIP1 Kinase Assay	In vitro kinase assay using RIP1
3564	1	Btman2A	Putative mannosidase assay using wild-type protein Btman2A.  Enzyme inhibition assay.
3565	1	NOS Enzyme Inhibition Assay	Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401 nm on a Perkin-Elmer Lambda 10 UV-vis spectrophotometer. The apparent Ki values were obtained by measuring percent inhibition in the presence of 10 uM L-arginine with at least four different concentrations of inhibitor. The IC50 values were determined by linear regression analysis of the percent inhibition data. Inhibition constants Ki were derived from the equation, Ki = IC50 / (1+ [S]/Km).
3566	9	PI3K Inhibition Assay	Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.
3566	1	Tyrosine Kinase Assay	The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone without ATP. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate to the immobilized substrate. The amount of phosphotyrosine generated was quantitated by using anti-posphotyrosine antibody.
3567	1	Wnt Inhibition Assay	Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein (&#39;exogenous Wnt&#39; test)
3568	1	PLD1 In Vitro Enzymatic Assay	PLD in vitro enzymatic assay using phospholipase D1(PLD1).
3568	5	PLD2 In Vitro Enzymatic Assay	PLD in vitro enzymatic assay using phospholipase D2(PLD2).
3568	2	d.311 Enzymatic Inhibition Assay	Phopholipase D1(PLD)enzymatic inhibition assay using PLD1.d311
648	1	hCX3CR1 [125I]-CX3CL1 displacement binding (SPA)	CHO-hCX3CR1 membranes (3 μg per well) together with 75 pM [125I]-CX3CL1 (Perkin Elmer) and different concentrations of competitor compound were incubated together with 400 µg/well WGA coated PVT SPA beads (Perkin Elmer) in 50 mM HEPES (pH 7.4), 10 mM MgCl2, 1mM EDTA and 0.1% Gelatin in a Greiner polystyrene flat-bottom 384-well plate. The plate was incubated for 20 h at room temperature before the radioactivity was measured using a MicroBeta Trilux reader (PerkinElmer). The DMSO concentration was held constant at 1%.
3569	1	MTAN Inhibition Assay	Purified MTAN activity in MTAN enzyme inhibition assay
3570	2	Beta-lactamase CTX-M Inhibition Assay	Class A Beta-lactamase CTX-M inhibition assay
3570	1	Beta-lactamase AmpC Inhibition Assay	Class C Beta-lactamase AmpC inhibition assay
3571	1	Tyrosine Kinase Inhibition Assay	Tyrosine kinase inhibition assay using wild type cSrc measured by a fluorescence-labeled approach.
3571	2	Serine/Threonine Kinase Inhibition Assay	Serine/threonine kinase inhibition assay using MAP p38 alpha fluorescence-labeled approach.
3572	1	UNG Inhibition Assay	Inhibition of human uracil DNA glycosylase using high-throughput fluorescent molecular beacon DNA substrate.
3573	1	KSHV Pr Inhibition Assay	Human herpesvirus assay using human Kaposi&#39;s sarcoma-associated herpesvirus protease (KSHV Pr).
3574	1	MAPK p38 Inhibition Assay	Selection of DNA-encoded libraries (DELs), which are covalent attachment of encoding double stranded DNA to small-molecule created using a combination of enzymatic and chemical synthesis in a split-and-pool format against p38 mitogen-activated protein kinase
3574	2	Aurora A Inhibition Assay	Selection of DNA-encoded libraries (DELs) which are covalent attachment of encoding double stranded DNA to small-molecule created using a combination of enzymatic and chemical synthesis in a split-and-pool format against Aurora A kinase 
3575	1	AChE Enzymatic Assay	Acetylcholinesterase (AChE) activity in vitro assay using molecules that caused a distinctive slow-to-relax (STR) phenotype in the embryonic touch response (ETR) assay.
3575	2	MAO-B Enzymatic Assay	Momoamine oxidase type B(MAO-B) activity in vitro assay using molecules that caused a photomotor response (PMR) "magnitude stimulant&#39; (MAG) phenotype characterized by increased PMR excitation magnitude.
3576	1	HDAC Enzyme Activity Assay	For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for additional 30 min. The released aminomethyl coumarin (AMC) was measured using a fluorescence plate reader. The 50% inhibitory concentrations (IC50) were determined as means with SD calculated from at least three independent dose response curves.
3577	1	Mps1 Kinase Inhibition Activity Assay	ATP-site competition binding assay using Mps1 Kinase inhibitors in LanthaScreen Eu time-resolved FRET (TR-FRET) technology from  Invitrogen.
3578	1	Competition Binding Assay	Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega.
3578	2	Transactivation Assay in U2OS cells	TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line.
3578	3	Transactivation Assay in HeLa cells	TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line
3579	1	Kinase Activity Assay	In vitro kinase activity and selectivity was determined by using SelectScreen kinase profiling Z&#39;-LYTE assay from Invitrogen.
3579	2	Fluorescence-Based Competition Assay	The competitive binding between test compounds and a fluorescence p38 alpha inhibitor, SK&F 86002. 
3580	1	Competitive Binding Assay	Competitive binding of estrogen to GPR30 and ER alpha were conducted using COS-7 cells transfected with GPR30-GFP or ER alpha-GFP and fluorescent estrogen, E2-Alexa633 labeled as a reporter.
3581	1	Enzyme Activity Assay	Enzyme activity assay using various bacterial species of 5&#39;-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.
3582	1	Biophysical assay	A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.
3583	1	Enzymatic Activity Assay	Enzymatic activity assay using fluorescent activity-based labeling method.
3584	1	Btk Kinase Assay	Biochemical assay using Lanthascreen (human, full-lenght, C-terminal v5-His6 expressed in Sf9 cell) assay from Invitrogen.
3585	1	Biochemical Assay	Fluorescence polarization-based kinase in vitro assay using human PI3K alpha purchased from Echelon Biosciences and p110 alpha/p85 alpha from Upstate follow by a Kinase Glo assay from Promega.
3586	1	AlphaScreen Assay	AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.
3586	2	Fluorescence Polarization Assay	A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction.  FP assay will also confirm binding interaction between hit compounds identified from AlphaScreen assay.  
3586	3	Cell Proliferation Assay	Cell assay using BT474, SKBR3 and MCF-12F cell lines measured by WST-1 colorimetric cell proliferation assay.
3587	1	Biochemical Assay	In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.
3588	1	Enzyme Inhibition Assay	Inhibition constant binding to E-NAD+
3588	2	Enzyme Inhibition Assay	Inhibition constant binding to E-NADH
3589	1	In Vitro Kinase Assay	In vitro kinase activity of Nef-Hck complex and Hck alone using Z&#39;-lyte kinase assay system and Tyr2 peptide substrate from Invitrogen.
3590	1	Enzyme Inhibition Assay	Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.
3591	1	Protein Kinase Assay	Inhibition of Aurora A was assessed in duplicated radiometric assay containing 100uM [gamma-32P] ATP and quantified by p81 phosphocellulose assay.
3592	1	Enzyme Inhibition Assay	Inhibition of AChE and BChE activity in rat brain homogenates using Ellman&#39;s method.  
3592	2	Enzyme Inhibition Assay	Inhibition of MAO activity in rat brain homogenates.
3593	1	[3H]-Tyr Incorporation Assay	Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).
3594	1	High Through-Put Fluorescence Assay	A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.
3595	1	Inhibition Assay	Enzyme inhibition assay using thrombin, a trypsin-like serine protease.
3596	1	Activation Assay	Activation of p38 kinase assay was measured by fluorescence emission using a Perkin-Elmer LS 50B fluorimeter.
3597	1	Enzymatic Assay	Enzymatic assay using recombinant human type 2 methionine aminopeptidase (MetAP2).
3597	2	Proliferation Assay	Proliferation assay using bovine aortic endothelial cell (BAEC) line.
3598	2	Inhibition Assay	Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with holoenzyme purified from rabbit muscle.
3598	1	Inhibition Assay	Protein kinase C (PKC) enzyme inhibition assay using purified rat brain protein kinase C from Calbiochem #539494.
3599	1	FKBP12 Assay	FKBP12 assay using rapamycin analogs.
3600	1	Ligand Binding Assay	Binding assay using human retinoid X receptor alpha (RXR).
3601	1	Inhibition Assay	Enzyme inhibition assay using ethylene-forming enzyme (EFE).
3602	1	Metallo-Beta-Lactamase Assay	Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.
3602	2	Dehydropeptidase I Assay	Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using dehydropeptidase 1 (DPH-1).
3603	1	TR Receptor Ligand Binding Assay 	Human thyroid hormone receptor alpha and beta (hTR alpha1) and (hTR beta1) were produced using TNT coupled reticulocyte lysate system from Promega.
3604	1	Protease Inhibtion Assay	Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.
3604	2	Enzyme Inhibtion Assay	Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.
3605	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3606	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3607	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3608	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3609	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3610	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3611	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3612	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3613	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3614	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3615	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3616	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3617	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3618	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3619	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3620	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3621	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3622	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3623	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3624	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3625	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3626	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3627	1	Enzyme Assay	The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equipped with a multi-cell transporter and thermostated with a circulating bath.
3628	1	VDR Ligand-Binding Assay	VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid.
3628	2	DBP Binding Assay	DBP competition binding assay were done using human serum (Scantibodies) or rat serum (Gibco-BRL).
3629	1	Inhibition Assay	Inhibition assay using CDK1/cyclin B.
3630	1	Competitive Assay	Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM).
3631	1	Inhibition Assay	Inhibition of protein tyrosine kinases
3632	1	Inhibition Assay	Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain  lacking the carboxy-terminal domain or cathepsin B from Sigma.
3633	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3634	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3635	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3636	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3637	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3638	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3639	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3640	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3641	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3642	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3643	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3644	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3645	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3646	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3647	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3648	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3649	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3650	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3651	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3652	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3653	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3654	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3655	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3656	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3657	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3658	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3659	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3660	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3661	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3662	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3663	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3664	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3665	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3666	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3667	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3668	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3669	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3670	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3671	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3672	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3673	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3674	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3675	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3676	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3677	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3678	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3679	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3680	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3681	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3682	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3683	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3684	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3685	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3686	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3687	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3688	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3689	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3690	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3691	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3692	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3693	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3694	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3695	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3696	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3697	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3698	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3699	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3700	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3701	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3702	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3703	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3704	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3705	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3706	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3707	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3708	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3709	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3710	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3711	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3712	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3713	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3714	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3715	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3716	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3717	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3718	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3719	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3720	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3721	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3722	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3723	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3724	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3725	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3726	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3727	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3728	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3729	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3730	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3731	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3732	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3733	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3734	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3735	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3736	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3737	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3738	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3739	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3740	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3741	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3742	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3743	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3744	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3745	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3746	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3747	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3748	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3749	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3750	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3751	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3752	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3753	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3754	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3755	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3756	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3757	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3758	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3759	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3760	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3761	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3762	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3763	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3764	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3765	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3766	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3767	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3768	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3769	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3770	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3771	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3772	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3773	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3774	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3775	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3776	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3777	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3778	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3779	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3780	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3781	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3782	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3783	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3784	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3785	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3786	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3787	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3788	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3789	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3790	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3791	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3792	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3793	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3794	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3795	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3796	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3797	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3798	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3799	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3800	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3801	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3802	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3803	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3804	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3805	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3806	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3807	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3808	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3809	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3810	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3811	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3812	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3813	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3814	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3815	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3816	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3817	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3818	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3819	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3820	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3821	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3822	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3823	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3824	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3825	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3826	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3827	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3828	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3829	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3830	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3831	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3832	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3833	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3834	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3835	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3836	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3837	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3838	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3839	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3840	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3841	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3842	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3843	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3844	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3845	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3846	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3847	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3848	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3849	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3850	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3851	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3852	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3853	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3854	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3855	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3856	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3857	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3858	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3859	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3860	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3861	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3862	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3863	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3864	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3865	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3866	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3867	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3868	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3869	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3870	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3871	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3872	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3873	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3874	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3875	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3876	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3877	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3878	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3879	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3880	1	Kinase Inhibitor Selectivity Profiling Assay	Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity are poorly defined, and an important step toward understanding the relationship between selectivity, efficacy and safety is the exploration of how inhibitors interact with the human kinome. We present interaction maps for 38 kinase inhibitors across a panel of 317 kinases representing >50% of the predicted human protein kinome. The data constitute the most comprehensive study of kinase inhibitor selectivity to date and reveal a wide diversity of interaction patterns.
3881	1	Dose Response Assays for S1P1 Agonists and Agonism Potentiators - Potentiator Assay 60K MLSMR	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes  Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculation (1,4-6) through five related high affinity G-protein coupled receptors (7). Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produce clinical immunosuppression preventing transplant rejection, but is associated with transient bradycardia. Understanding the contribution of individual receptors has been limited by the unavailability of selective agonists or antagonists for the 5 receptor subtypes. Separation of receptor subtype usage for control of endothelial and
3882	1	Mycobacterium tuberculosis Pantothenate Synthetase Assay	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: 1R03MH076412-01 Multi-drug resistant Mycobacterium tuberculosis is becoming an increased health problem, especially in immunocompromised individuals with HIV.  This form of TB is more difficult to treat and as a result has a higher mortality rate.  Because of this, the discovery of drugs targeting novel pathways such as the synthesis of pantothenate has become increasingly important.  Pantothenate synthetase (PS; EC 6.3.2.1), encoded by the panC gene, catalyzes the essential ATP-dependent condensation of D-pantoate and alpha-alanine to form pantothenate in bacteria, yeast and plants; pantothenate is a key precursor for the biosynthesis of coenzyme A (CoA) and acyl carrier protein (ACP). The activity of PS was measured spectrophotometrically by coupling the formation of AMP to the reactions of myokinase, pyr
3890	1	S1P3 Agonist Dose-Response Potency Assay	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1 R03 MH076533-01 External Assay ID: (4.3) S1P3_AG_BLA_1536_EC50 Drun1 Name: S1P3 Agonist Dose-Response Potency Assay The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epithelial integrity [3] and lymphocyte recirculation [1] [4]-[6] through five related high affinity G-protein coupled receptors [7]. Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produces clinical immunosuppression preventing transplant rejection, but is associated with transient bradycardia. Understanding the contribution of individual receptors has been limited by the unavailability of selective agonists or antagonists for the 5 receptor subtypes. Separation of recept
3891	1	In vitro MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay	The MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular weight PTPs. One subgroup of the DSPase family are the MAPK phosphatases (MKP), which dephosphorylate MAPKs on threonine and tyrosine residues.
3892	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay	The Cdc25B Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission  MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular weight PTPs. Cdc25 is a protein tyrosine phosphatase that plays a pivotal role in the regulation of the cell cycle.  Of the three isoforms that exist (Cdc25A, B, and C), Cd
3893	1	In vitro MKP-3 Phosphatase Dose Response Confirmation and Secondary Selectivity/Selectivity Assay	The MKP-3 Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76390 In vitro HTS assay for MKP-3, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular weight PTPs.  One subgroup of the DSPase family are the MAPK phosphatases (MKP), which dephosphorylate MAPKs on threonine and tyrosine residues. Nine members of the DSPases have been c
3894	1	Dose Response Assays for S1P1 Agonists and Agonism Potentiators - Parental Cell Line Counter Screen 60K MLSMR	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes  Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculation (1,4-6) through five related high affinity G-protein coupled receptors (7). Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produce clinical immunosuppression preventing transplant rejection, but is associated with transient bradycardia. Understanding the contribution of individual receptors has been limited by the unavailability of selective agonists or antagonists for the 5 receptor subtypes. Separation of receptor subtype usage for control of endothelial and ep
3895	1	Dose Response Assays for S1P1 Agonists and Agonism Potentiators - Agonist Assay 60K MLSMR	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes  Sphingosine 1-phosphate (S1P) influences heart rate (1,2), coronary artery caliber, endothelial integrity, lung epithelial integrity (3) and lymphocyte recirculation (1,4-6) through five related high affinity G-protein coupled receptors (7). Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produce clinical immunosuppression preventing transplant rejection, but is associated with transient bradycardia. Understanding the contribution of individual receptors has been limited by the unavailability of selective agonists or antagonists for the 5 receptor subtypes. Separation of receptor subtype usage for control of endothelial and ep
3896	1	Dose Response Assay for S1P3 Antagonists	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076533-01 The biology of S1P receptor subtypes: Sphingosine 1-phosphate (S1P) influences heart rate [1] [2], coronary artery caliber, endothelial integrity, lung epithelial integrity [3] and lymphocyte recirculation [1] [4]-[6] through five related high affinity G-protein coupled receptors [7]. Inhibition of lymphocyte recirculation by nonselective S1P receptor agonists produces clinical immunosuppression preventing transplant rejection, but is associated with transient bradycardia. Understanding the contribution of individual receptors has been limited by the unavailability of selective agonists or antagonists for the 5 receptor subtypes. Separation of receptor subtype usage for control of endothelial
794	1	Alpha-Synuclein Tissue Homogenate Binding Assay	For displacement α-synuclein binding assay, compounds and control were solvated in dimethyl sulfoxide (DMSO) and transferred using focused acoustic energy by an Echo 655 liquid handling instrument (Beckman Coulter, Indianapolis, IN) into designated wells of uniquely bar coded 96-well v-bottom low binding polypropylene microplates (Thermo Scientific, 249946). Compound dose response curves were prepared in a 10-point, 3-fold fashion within columns 2 -11 of the microplate from high to low compound concentrations. The final assay concentration of dose response curves when starting at 1 mM ranged from 1.2 µM to 0.061 nM (0.12 % DMSO final assay concentration, 270 nL/well). Controls included no inhibitor (DMSO only) dispensed into wells A1 – D1, A12 – D12 for minimum efficacy signal and Compound 1000 at a final assay concentration of 12 µM into wells E1 – H1, E12 – H12 for maximum efficacy signal. Liquid-handling steps for dispensing insoluble fractions of PD brain homogenates and 25666 radioligand were performed using a Bravo automated liquid handling platform equipped with a 96LT disposable tip head (Agilent Technologies, Santa Clara, CA). Insoluble fractions of PD brain homogenates were diluted to 50 µg/mL in the Assay Buffer, and 200 µL was dispensed to the assay plate for a final concentration of 10 µg/well. 25 µL of (9X) [3H]-1000 was dispensed to the assay plate for final assay concentration of 3.0 nM. Sealed assay plates were incubated at room temperature for 90 minutes with gentle agitation. The incubation was terminated by rapid filtration through UniFilter-96 GF/C microplates (pre-treated for 30 minutes with 0.2% Polyethylenimine at 4oC) by using a FilterMate Harvester (PerkinElmer). The microplates were subsequently washed four times with a total volume of 3.75 mL using ice-cold Dulbecco&#39;s Phosphate-Buffered Saline (DPBS, Gibco 14190136 ) before drying 90 minutes at 47 oC with a vacuum oven (Fisher Scientific Isotemp 285A) or overnight at room temperature. The bottom of each UniFilter-96 GF/C microplate was adhesively sealed (PerkinElmer 6005199) prior to the addition of 50 μL MicroScint-20 liquid scintillation cocktail (PerkinElmer 6013621) to each well. A clear adhesive seal (TopSeal-A PLUS, PerkinElmer 6050185) was then applied to the top of each microplate and counted 1 minute/well on MicroBeta2 system (PerkinElmer, Model: 2450-0120). Data was analyzed using IDBS ActivityBase XE Runner (version 9.6.0.148) to determine Ki values shown in Data Table 1 (Kd value 0.90 nM, ligand concentration 3.0 nM).
794	2	Competitive radioligand binding to pathological aggregated beta amyloid in AD tissue	Frozen human brain samples of Alzheimer’s disease (AD) were purchased from Analytic Biological Services Inc. The samples were post-mortem tissue from donors with clinical diagnosis of AD and much of the white matter was dissected out of the frontal cortex in order to enrich the tissue preparations for gray matter. Brain homogenates of gray matter enriched frontal cortex were prepared by homogenizing the tissue in ice cold Phosphate Buffered Saline (PBS), pH 7.4 at 80 mg wet weight tissue per 1 ml for 45 seconds at 4oC on setting 16 of Polytron. The homogenate was further diluted with ice cold PBS to 30 mg wet weight tissue per 1 ml and homogenized for an additional minute as described above. Homogenates were aliquoted in 5 ml/tube and stored at -70 C until use. Radioligand [3H]-105, prepared as described in ACS Med. Chem. Lett., Vol.2, pages 498-502, was used in this assay. 
3898	1	Dose Response Assay for Formylpeptide Receptor (FPR) Ligands and Dose Response Counter-Screen Assay for Formylpeptide-Like-1 (FPRL1) Ligands	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3899	1	Dose Response Assay for Formylpeptide Receptor (FPR) Ligands and Dose Response Counter-Screen Assay for Formylpeptide-Like-1 (FPRL1) Ligands	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3901	1	Dose Response Assay for Formylpeptide Receptor-Like-1 (FPRL1) Ligands and Dose Response Counter-Screen Assay for Formylpeptide Receptor (FPR) Ligands	University of New Mexico Assay Overview Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where t
3902	1	Cathepsin B Inhibitor Series SAR Study	Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research showing that proteolysis by this enzyme is required for the entry and replication of the Ebola and SARS viruses in human cells. Thus cathepsin B inhibitors have potential as novel anti-viral agents.  Cathepsin B is also implicated in cancer progression. Upregulation and secretion of this enzyme occurs in many types of tumors and correlates positively with their invasive and metastatic capabilities. Cathepsin B facilitates tumor invasion by dissolving extracellular barriers. Inhibitors of cathepsin B thus have been studied as potential anti-cancer agents. Two high-throughput screens against cathepsin B reported previously under AID 453 and AID 488 each independently revealed the same series of aminopyrazole inhibitors. Six compounds active in the original HTS were resynthesized, and 21 new compounds were made to explore SAR. As in the o
3903	1	Dose-response biochemical assay for inhibitors of protein kinase A (PKA) activity	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: NA PKA is an ubiquitous serine/threonine protein kinase and belongs to the AGC kinase family. It has several functions in the cell, including regulation of immune response [1], transcription [2], cell cycle and apoptosis [3]. PKA is a cAMP dependent enzyme that exists in its native inactive form as a 4 subunit enzyme with two regulatory and two catalytic subunits. Binding of cAMP to the regulatory subunit leads to the disassembly of the complex and release of now active catalytic subunits. This screen is designed to identify inhibitors of PKA. The known PKA inhibitor Staurosporine was used as a positive control. Keywords: PKA, kinase, Protein kinase A, luciferase, luminescence, apoptosis, immune response, cAMP dependant enzyme,
3907	1	Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - DPM-DC Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University  Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly important. The mevalonate pathway produces isopentenyl diphosphate (the molecular building block of isoprenoids) and is essential for the survival of the pathogen in mouse lung and serum. The biosynthesis of isopentenyl diphosphate involves three consecutive reactions that are catalyzed by the enzymes mevalonate kinase (MK; E.C. 2.7.1.36), phosphomevalonate kinase (PMK; E.C. 2.7.4.2), and diphosphomevalonate decarboxylase (DPM-DC; E.C. 4.1.1.33). DPM-DC catalyzes the ATP-dependent conversion of (R
3908	1	In vitro MKP-3 Phosphatase Dose Response Hit/Probe Assessment Assay	The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN)to follow up on actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID # 425 and the MKP-1 HTS run at the PMLSC AID # 374. XO1 submission MH-76390 In vitro HTS assay for MKP-3, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular weight PTPs.  One
3909	1	Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - MK Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of medicine of Yeshiva University  Streptococcus pneumonia (SP) takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways such as the mevalonate pathway has become increasingly important. The pathway produces isopentyl diphosphate (the molecular building block of isoprenoids) and is essential for the survival of the pathogen in mouse lung and serum. The mevalonate pathway is comprised of three consecutive reactions that are catalyzed by the enzymes mevalonate kinase (MK; E.C. 2.7.1.36), phosphomevalonate kinase (PMK; E.C. 2.7.4.2), and diphosphomevalonate decarboxylase (PDM-DC; E.C. 4.1.1.33). MK catalyzes the ATP dependent conversion o
3910	1	Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - MK Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of medicine of Yeshiva University  Streptococcus pneumonia (SP) takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways such as the mevalonate pathway has become increasingly important. The pathway produces isopentyl diphosphate (the molecular building block of isoprenoids) and is essential for the survival of the pathogen in mouse lung and serum. The mevalonate pathway is comprised of three consecutive reactions that are catalyzed by the enzymes mevalonate kinase (MK; E.C. 2.7.1.36), phosphomevalonate kinase (PMK; E.C. 2.7.4.2), and diphosphomevalonate decarboxylase (PDM-DC; E.C. 4.1.1.33). MK catalyzes the ATP dependent conversion o
3911	1	Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - MK Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of medicine of Yeshiva University  Streptococcus pneumonia (SP) takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways such as the mevalonate pathway has become increasingly important. The pathway produces isopentyl diphosphate (the molecular building block of isoprenoids) and is essential for the survival of the pathogen in mouse lung and serum. The mevalonate pathway is comprised of three consecutive reactions that are catalyzed by the enzymes mevalonate kinase (MK; E.C. 2.7.1.36), phosphomevalonate kinase (PMK; E.C. 2.7.4.2), and diphosphomevalonate decarboxylase (PDM-DC; E.C. 4.1.1.33). MK catalyzes the ATP dependent conversion o
3912	1	In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of DTT	The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhibition of actives identified in the MH-76391 In vitro MKP-1 HTS assay AID #374, and subsequently confirmed in the HTS dose  response confirmation assay AID #551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxidation. In addition, a number of compounds such as quinone-like compounds are capable of generating reactive oxygen species via redox cycling in the presence of DTT. Increasing the concentration of DTT from 1 mM to 25 mM does not affect the activity of MKP-1 in the assay but can reverse the inhibition of some inhibitors or significantly increase their IC50 values. The MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay-Effects of DTT has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening
3913	1	In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase	The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1 inhibition of actives identified in the MH-76391 In vitro MKP-1 HTS assay AID #374, and subsequently confirmed in the HTS dose response confirmation assay AID #551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxidation. In addition, a number of compounds such as quinone-like compounds are capable of generating reactive oxygen species via redox cycling in the presence of DTT. Adding Catalase to inactivate hydrogen peroxide (H2O2)does not affect the activity of MKP-1 in the assay but can reverse the inhibition of some inhibitors or significantly increase their IC50 values.The MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library S
3914	1	In vitro MKP-1 Phosphatase Dose Response Active/Probe Assessment Assay - Reproducibility testing	The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibitors identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors AID #374 and subsequently confirmed in the MKP-1 HTS dose response confirmation assay AID # 551.The MKP-1 Phosphatase dose response assay Active/Probe Assessment Assay - Reproducibility testing has been Developed and Run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76391 In vitro HTS assay for MKP-1, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at
3915	1	In vitro MKP-3 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase	The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3 inhibition of actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID 425 and the MKP-1 HTS run at the PMLSC AID 374, and subsequently confirmed in the MKP-3 & MKP-1 HTS dose response confirmation assays AID&#39;s 553 & 551. Protein tyrosine phosphatases have an active site cysteine that is very susceptible to inactivation by oxidation. In addition, a number of compounds such as quinone-like compounds are capable of generating reactive oxygen species via redox cycling in the presence of DTT. Adding Catalase to inactivate hydrogen peroxide (H2O2)does not affect the activity of MKP-3 in the assay but can reverse the inhibition of some inhibitors or significantly increase their IC50 values. The MKP-3 Phosphatase Dose Response Active/Probe Assessment Assay - Effects of Catalase has been Developed and Run at the Univers
3916	1	In vitro MKP-3 Phosphatase Dose Response Active/Probe Assessment Assay - Reproducibility testing	The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibitors of actives identified in the MKP-3 HTS run at (Burham Institute) SDCCG center AID 425 and the MKP-1 HTS run at the PMLSC AID 374, and subsequently confirmed in the MKP-3 & MKP-1 HTS dose response confirmation assays AID&#39;s 553 & 551. The in vitro MKP-3 Phosphatase dose response hit/probe assessment reproducibility testing assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH-76390 In vitro HTS assay for MKP-3, Assay Provider Dr. John S. Lazo, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell pr
3917	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase HTS Dose Response Confirmation  Assay	The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission  MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular weight PTPs. Cdc25 is a protein tyrosine phosphatase that plays a pivotal role in the regulation of the cell cy
3918	1	Counterscreen for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-related orphan receptor A (RORA)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal number 1X01-MH077624-01  External Assay ID: RORA_INH_Lumi_1536_CS_IC50  Name:  Counterscreen for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-related orphan receptor A (RORA) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously
3919	1	Dose-response cell-based assay for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant proposal number 1X01-MH077624-01  External Assay ID: SF-1_INH_Lumi_1536_IC50 Name: Dose-response cell-based assay for inhibitors of the nuclear receptor Steroidogenic Factor 1 (SF-1) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously identified in the human genome [1-3]. The nuclear receptor SF-1 (steroidogenic
3920	1	HTS for LYP Inhibitors-an Autoimmunity Target - Primary screen	LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 gene. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave#s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that its effect could be eliminated by a specific small-molecule inhibitor. Assay Principle. Full enzymatic activity is present in a 62 kDa N-terminal catalytic domain of the phosphatase that can be expressed in and purified from bacteria. Incubation of this recombinant protein with the appropriate substrate, DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) results in the conversion of substrate to a fluorescent derivative. The endpoint of the reaction is assessed by measuring fluorescence with excitation at 360 nm and emission at
3921	1	Dose-response cell-based assay for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1X01-MH077624-01  External Assay ID: RORA_INH_Lumi_1536_IC50 Name: Dose-response cell-based assay for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously identified in the human genome [1-3]. RORA is one of three related orphan nu
3922	1	Counterscreen for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroidogenic Factor 1 (SF-1)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Proposal number 1X01-MH077624-01  External Assay ID: SF1_INH_Lumi_1536_CS_IC50 Name: Counterscreen for inhibitors of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroidogenic Factor 1 (SF-1) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously ident
3923	1	TR-FRET secondary assay for HTS discovery of chemical inhibitors of anti-apoptotic protein Bfl-1	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Bfl-1, also known as A1 in mice is an anti-apoptotic and NF-kB-inducible member of the Bcl-2 protein family involved in regulation of apoptosis. Due to difficulties with accomplishing targeted gene ablation in mouse models, the endogenous functions of Bfl-1 are largely unknown. Chemical inhibitors of Bfl-1 can be used as research tools for neutralizing Bfl-1 in human and mouse cells.  The current assay was developed at the Sanford-Burnham Center for Chemical Genomics (SBCCG), based on FITC-Bid BH3 peptide binding to GST-Bfl-1 in the presence of Terbium-labeled anti-GST antibody. The assay is aimed to support Bfl-1 chemical probe identification through the TR-FRET assay confirmation of the results obtained in the primary fluorescence polarization (FP) assay (PubChem AID 432) performed at the BCCG.  Bfl-1 screening w
3924	1	Dose-response biochemical assay of inhibitors of Rho kinase 2 (Rock2) 	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: None External Assay ID: Rock2_INH_ LUMI_1536_ IC50 Name: Dose-response biochemical assay of inhibitors of Rho kinase 2 (Rock2)  Description: Rho-Kinase is a serine/threonine kinase involved in the regulation of smooth muscle contraction and cytoskeletal reorganization of nonmuscle cells (1). Its inhibition is known to promote the smooth muscle relaxation. Thus, small-molecule inhibitors of Rho-Kinase may be effective probes for treatment of cerebral vasospasm (2) and potentially effective for treatment of angina (3), hypertension (4), arteriosclerosis (5), and erectile dysfunction (6). References: [1]   Trauger JW, Lin FF, Turner MS, Stephens J, LoGrasso PV. Kinetic mechanism for human Rho-Kinase II (ROCK-II).Biochemistry. 2002 J
3925	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response assay in 25 mM DTT	The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  The active site cysteine of PTPs is required for catalytic activity and performs a nucleophilic attack on the phosphotyrosine residues of the substrate to form a covalent thiol-phosphate intermediate followed by hydr
3926	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response Reproducibility Assay	The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission  MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and low molecular we
3927	1	West Nile Virus NS2bNS3 Proteinase Inhibitor Dose Response Confirmation.	The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH077601, and was developed and screened at the University of Pittsburgh Molecular Library Screening Center part of the Molecular Library Screening Center Network (MLSCN). The 10-point IC50 dose response confirmation assay was developed and run at the PMLSC to confirm the activity of WNV NS2bNS3 Proteinase inhibitors identified in the primary HTS, AID 577.  Extracted from the XO1-MH077601 Proposal submitted by Dr. Alex Strongin, Burnham Institute: West Nile virus, a member of the Flaviviridae family, was first isolated in 1937 in the West Nile district of Uganda. West Nile virus is transmitted to animals including humans, through mosquito bites. Mosquitoes become infected when they feed on infected birds. In 2003, West Nile virus was detected in as many as 46 of the United States. The virus infected as many as 10,000 people and was the cause
3928	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response assay in the presence of Catalase.	The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  The active site cysteine of PTP#s is required for catalytic activity and performs a nucleophilic attack on the phosphotyrosine residues of the substrate to form a covalent thiol-phosphate intermediate followed by hydr
3929	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response assay in 25 mM DTT and Catalase.	The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  The active site cysteine of PTPs is required for catalytic activity and performs a nucleophilic attack on the phosphotyrosine residues of the substrate to form a covalent thiol-phosphate intermediate fo
3930	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response assay in the presence of  Beta-Mercaptoethanol.	The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  The active site cysteine of PTPs is required for catalytic activity and performs a nucleophilic attack on the phosphotyrosine residues of the substrate to form a covalent thiol-phosphate intermediate
3931	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment Dose Response assay in the presence of Glutathione.	The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  The active site cysteine of PTPs is required for catalytic activity and performs a nucleophilic attack on the phosphotyrosine residues of the substrate to form a covalent thiol-phosphate intermediate followed
3932	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment: MKP-3 Dose Response Selectivity comparison.	The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission  MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosph
3933	1	Cdc25B Catalytic Domain Protein Tyrosine Phosphatase Probe Assessment: MKP-1 Dose Response Selectivity comparison.	The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that were identified in the Cdc25B HTS AID 368 and confirmed in the Cdc25B 10-pt dose response confirmation assay AID 569 conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). XO1 submission  MH078959 Cdc25B catalytic domain in vitro assay, Assay Provider Dr. Marni Brisson, Department of Pharmacology at the University of Pittsburgh. The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosph
3934	1	Counterscreen for activators of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-related orphan receptor A (RORA)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA  Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: RORA_AG_LUMI_1536_CS_EC50 Name: Counterscreen for activators of the nuclear receptor Steroidogenic Factor 1 (SF-1): A cell-based dose-response assay for inhibition of the RAR-related orphan receptor A (RORA) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previousl
3935	1	MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment: Cdc25B Dose Response Selectivity Assay	The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PTP selectivity of actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibitors. The MKP-1 HTS assay was screened by the PMLSC against the year 1 full diversity NIH compound library (65,239 compounds) and the data were uploaded to the PubChem database AID 374. The PMLSC confirmed the actives from the MKP-1 screen in dose response assays and uploaded the data to the PubChem database AID 551.  The 107 protein tyrosine phosphatases (PTPs) found in the human genome are defined by the active site sequence C(X)5R(S/T), with X being any amino acid, and they are critical regulators of mammalian cell proliferation, differentiation, and apoptosis.  PTPs can be divided into at least four subfamilies based on their tertiary structure:  Classical phosphotyrosine specific PTPs, dual specificity phosphatases (DSPase), Cdc25 phosphatases and
3936	1	Factor XIa Dose Response Confirmation	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider:  Scott L. Diamond, University of Pennsylvania MLSCN Grant:  X01-MH076406-01 Target Factor XI (FXI) circulates as a complex with high molecular weight kininogen (HK) in the plasma at a concentration of 5 ug/ml (equivalent to 31.3 nM, dimeric concentration) as a homodimeric glycosylated blood plasma zymogen of approximately 160 kDa, containing monomeric subunits of 80 kDa each (1).  Thrombin (2, 3), factor XIa (FXIa) (3), and factor XIIa alpha (FXIIa) (4), all cleave an internal R369-I370 bond in each monomer of FXI, yielding the enzyme FXIa.     After activation from FXI to FXIa, FXIa possesses a heavy chain of 369 residues and a light chain of 238 residues.  The heavy chain consists of four apple domains (A1-A4) and the light chain represents a trypsin-like serine protease domain with active site residues at H413, D464, and S557 (1, 5-7).  FXIa catalyzes FIX to FIXa activat
3937	1	Dose-response cell-based assay for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA  Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: RORA_AG_LUMI_1536_EC50 Name: Dose-response cell-based assay for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously identified in the human genome [1-3]. RORA is one of three related orp
3938	1	Luminescent assay for HTS discovery of chemical inhibitors of placental alkaline phosphatase	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified: three isozymes are tissue-specific and the fourth one is tissue-nonspecific. Placental alkaline phosphatase (PLAP) is highly expressed in primate placental tissue. Its biological function is unknown. Identification of PLAP-specific inhibitors should provide necessary tools for characterization of its biological role. PLAP screening was developed and performed at the Sanford-Burnham Center for Chemical Genomics (SBCCG) as part of the Molecular Library Screening Center Network (MLSCN). This assay represents a selectivity screening for tissue nonspecific alkaline phosphatase (TNAP) screened at B
3939	1	Inhibition Activity Assay	Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phosphate.
3940	2	Enzyme Inhibition Assay	Enzyme inhibition assay using AmpC or TEM-1 from escherichia coli.
3941	1	Inhibition Assay	Inhibition assay against beta lactamase enzymes.
3942	1	Dose-response cell-based assay for activators of the nuclear receptor Steroidogenic Factor 1 (SF-1)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1X01-MH077624-01 External Assay ID: SF1_AG_LUMI_1536_EC50 Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously identified in the human genome [1-3]. The nuclear receptor SF-1 (steroidogenic factor-1) belongs to the class of "unexplored" orphan nuclear receptors that have been poorly investigated at a pharmacolog
3943	1	Counterscreen for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroidogenic Factor 1 (SF-1)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Orphagen Pharmaceuticals, San Diego, CA (1-X01-MH077624-01) Network: Molecular Library Screening Center Network (MLSCN) External Assay ID: SF1_AG_LUMI_1536_CS_EC50 Name: Counterscreen for activators of the Retinoic Acid Receptor-related orphan receptor A (RORA): A cell-based dose-response assay for inhibition of the Steroidogenic Factor 1 (SF-1) Description: Nuclear receptors are a family of small molecule and hormone-regulated transcription factors that share conserved DNA-binding and ligand-binding domains. Small pharmacological compounds  able to bind to the cleft of the ligand-binding domain could alter its conformation and subsequently modify transcription of target genes. Such ligand agonists and/or antagonists have already been successfully designed for 23 nuclear receptors among the 48 previously identified in the h
3944	1	14-3-3 protein interaction modulators Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 proteins are the prototype for a novel class of protein modules that can recognize phosphoserine/threonine (pS/T)-containing motifs in a variety of signaling proteins. To date, 14-3-3 proteins have been reported to bind more than 200 client proteins. Through these interactions, 14-3-3 proteins play important roles in a wide range of vital regulatory processes, such as Bad-induced apoptosis, Raf-1-mediated cell proliferation, and Cdc25-regulated cell cycle progression. In addition to their participation in diverse physiological processes, 14-3-3 proteins have been implicated in a number of clinically important pathological conditions, such as neurodegenerative disorders and cancers. Thus, such studies on the 14-3-3/client-protein interactions may provide tremendous opportunities for therapeutic interventions.  Therefore, chemical tools woul
3945	1	Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Title: HTS for Estrogen Receptor-alpha Coactivator Binding inhibitors Assay Overview       Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are well validated protein targets for various aspects of women&#39;s health and breast cancer prevention and treatment. As an essential step in their action as regulators of gene transcription, the ERs recruit various coregulator proteins, both coactivators and corepressors, to the DNA-bound (or protein tethered) ER. These coregulators have various activities: alteration of chromatin architecture, regulation of nucleosome core
3946	1	BAP1 Enzyme inhibitors Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Keith D. Wilkinson, Emory University MLSCN Grant: 1 R03 MH076382-01 Assay Overview:        BAP1 (BRCA1 associated protein 1) is a member of the Ubiquitin carboxy-terminal hydrolase (UCH) family of deubiquitinating enzymes(DUB). These proteases reverse the conjugation of ubiquitin to targeted proteins. The importance of ubiquitin conjugation in many cellular processes suggests a critical role of DUBs in normal physiology and potentially in pathological conditions. In order to identify molecular probes for studying DUB function and for targeting DUB for potential therapeutic applications, an enzyme-based kinetic high throughput assay has been developed. The assay monitors the hydrolysis of simple ubiquitin conjugates such as Ub-AMC by cysteine protease activity of BAP1 and the release of free AMC. The amount of the fluorescence intensity of released free AMC is pro
3947	1	SMAD Transcription Factor Inhibitors Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University of Wisconsin-Madison MLSCN Grant: 1R21NS057002-01 Assay Overview:     Transforming growth factor beta (TGF-Beta) regulates a variety of processes in mammalian cells, including proliferation, apoptosis, cell migration and extracellular matrix production. Aberrant increases in TGF-Beta signaling have been implicated in several pathological conditions including cancer and fibrosis. Inhibition of TGF-Beta signaling is an important tool in elucidating the multiple biological functions of TGF-Beta and is of significant interest as a potential therapeutic strategy in fibrotic diseases and several advanced cancers.     Smad proteins mediate cellular responses to TGF-Beta. TGF-Beta alters cellular gene expression and cell behavior by binding and activating the Type II and Type I serine kinase receptors on the cell membrane. Activated Type I recep
3948	1	Factor XIIa Dose Response Confirmation	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider:  Scott L. Diamond, University of Pennsylvania   MLSCN Grant:  X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated.  FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1).  Kallikrein can also cleave other scissile bonds in FXIIa alpha outside of the catalytic domain at R334, R343, and R353, generating FXIIa beta, a 30 kDa enzyme that is no longer able to bind to surfaces, and which activates prekallikrein (PK) to kallikrein, using high molecular weight kininogen (HK) as a cofactor (2, 3).  FXIIa is irreversibly inhibited by C-1 inhibitor (C1INH), a 105 kDa plasma SERPIN (4-6).   FXII, PK, HK, C1INH, and factor XI (FXI) have been traditionally placed within the i
3949	1	Formylpeptide Receptor (FPR) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay Counterscreen Against Formyl Peptide Receptor-Like-1 (FPRL1)  	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors.  The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991).  N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001).  Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage whe
3950	1	Formylpeptide Receptor (FPR) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay Counterscreen Against Formyl Peptide Receptor-Like-1 (FPRL1)  	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors.  The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991).  N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001).  Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage whe
3951	1	Formylpeptide Receptor (FPR) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors.  The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991).  N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001).  Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage whe
3952	1	Formylpeptide Receptor (FPR) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors.  The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991).  N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001).  Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage whe
3953	1	S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Agonists	External Assay ID:    S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Agonists Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description: The neurotransmitter, serotonin (5HT, 5-hydroxytryptamine) is important in a large number of neurological behaviors including of mood[1], appetite[2], cognition[3], pain[4] and memory[5]. The serotonin receptors are a large group of GPCRs which are divided into families, 5HT1-7, based upon functionality and pharmacology[6]. The 5HT1 family which includes at least 6 members, 5HT1A-F, is indicated in anxiety, depression and cognition[7]. All of the 5HT1 receptors activate gi/o g-proteins to inhibit adenyla
3954	1	Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078948-01 External Assay ID: MMP13_INH_fTHP_1536_IC50 Name: Dose-response biochemical assay for inhibitors of Matrix Metalloproteinase 13 (MMP13) activity Description: Osteoarthritis (OA) is an age-related debilitating disease affecting more than 80% of people over the age of 75, caused by the destruction of articular cartilage (1). The major components of the cartilage extracellular matrix (ECM) are type II collagen and the chondroitin sulfate proteoglycan, aggrecan (2). Proteases with potential roles in OA include MMP-1, MMP-13, ADAMTS-4, and ADAMTS-5 (3). MMP-13 is believed to be the more prominent collagenase in OA (3,4). Initial clinical trials with MMP inhibitors targeting active site were disappointing, due
3955	1	Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview    Menopause is associated with the onset of hot flashes, night sweats, mood changes, and urogenital atrophy, which many women find distressing enough to seek medical management for relief. Estrogens in the form of hormone therapy (HT) have been the standard treatment for menopausal symptoms for decades. Although HT is the most effective treatment for hot flashes, the Women&#39;s Health Initiative (WHI) trial found that the combination of estrogen and progestin increases a woman&#39;s risk for heart disease, stroke, breast cancer,  venous thromboembolic events, and dementia and does not improve quality of life indices such as emotional and sexual functioning and vitality.     The adverse effects of HT created a large unmet need for selective estrogen rece
3956	1	High Throughput Fluorescence Polarization Screen for Bcl-B Phenotype Converters	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Bcl-B is an anti-apoptotic member of the Bcl-2 family that is prominently expressed in plasma and multiple myeloma cells. TR3 (NR4A1; HMR; NP10; GFRP1; NAK1; NUR77; NGFIB) is an orphan member of the steroid/thyroid/retinoid nuclear receptor superfamily that translocates from cellular nuclei to mitochondria upon exposure to various pro-apoptotic stimuli.  At mitochondria, TR3 binds to Bcl-B and converts it into a pro-apoptotic protein.  A specific 9-amino acid sequence within the full length TR3 is able to form a complex with Bcl-B and induce its phenotypic conversion.  This interaction forms the basis for a high throughput fluorescence polarization screen for compound mimetics.  Such compounds may be useful as chemical probes for understanding the functional mechanism of Bcl-B, and may have therapeutic relevance in a
3958	1	Formylpeptide Receptor (FPRL1) Ligand Structure Activity Relationship (SAR) Analysis : FPR Dose Response Counterscreen Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3959	1	Formylpeptide Receptor (FPRL1) Ligand Structure Activity Relationship (SAR) Analysis : FPR Dose Response Counterscreen Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3960	1	Formylpeptide Receptor (FPRL1) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3961	1	Formylpeptide Receptor (FPRL1) Ligand Structure Activity Relationship (SAR) Analysis : Dose Response Assay	University of New Mexico Assay Overview: Assay Support:  NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph.D. Assay Background and Significance Formyl peptide receptors. The G-protein coupled formylpeptide receptor (FPR) was one of the originating members of the chemoattractant receptor superfamily (Le et al., 2002a; Oppenheim et al., 1991). N-formylated peptides such as fMLF are high affinity FPR ligands that trigger a variety of biologic activities in myeloid cells, including chemokinesis, chemotaxis, cytokine production and superoxide generation (He et al., 2003; Le et al., 2001b; Murphy, 1994; Murphy, 1996; Tiffany et al., 2001). Since such peptides are derived from bacterial or mitochondrial proteins (Carp, 1982; Marasco et al., 1984; Schiffmann et al., 1975a; Schiffmann et al., 1975b), it has been proposed that a primary FPR function is to promote trafficking of phagocytic myeloid cells to sites of infection and tissue damage where
3962	1	Dose response biochemical assay for autofluorescent inhibitors of Matrix Metalloproteinase 13 (MMP13) activity	External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Florida Atlantic University Network: Molecular Library Screening Center Network (MLSCN) Proposal Number: 1 X01 MH078948-01 Name: Dose response biochemical assay for autofluorescent inhibitors of Matrix Metalloproteinase 13 (MMP13) activity Description: Osteoarthritis (OA) is an age-related debilitating disease affecting more than 80% of people over the age of 75, caused by the destruction of articular cartilage (1). The major components of the cartilage extra cellular matrix (ECM) are type II collagen and the chondroitin sulfate proteoglycan, aggrecan (2). Proteases with potential roles in OA include MMP-1, MMP-13, ADAMTS-4, and ADAMTS-5 (3). MMP-13 is believed to be the more prominent collagenase in OA (3,4). Initial clinical trials with MMP inhibitors targeting active site wer
3963	1	S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Antagonists	External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E Antagonists Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: The Scripps Research Institute Molecular Screening Center Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 R03 MH076345-01 Description: The neurotransmitter, serotonin (5HT, 5-hydroxytryptamine) is important in a large number of neurological behaviors including of mood [1], appetite [2], cognition [3], pain [4], and memory [5]. The serotonin receptors are a large group of GPCRs which are divided into families, 5HT1-7, based upon functionality and pharmacology [6]. The 5HT1 family which includes at least 6 members, 5HT1A-F, is indicated in anxiety, depression and cognition [7]. All of the 5HT1 receptors activate gi/o g-proteins to inhi
3964	1	Inhibition Assay	Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.
3965	1	Inhibition Assay	Affinity assay of specificities of thymidylate synthase (TS)inhibitors
3966	1	Enzyme Inhibition Assay	Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.
3967	1	Inhibition Assay	Protein phosphatase inhibitory activity of calyculin derivatives.
3968	1	TR-FRET secondary assay for HTS discovery of chemical inhibitors of Hsp70	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant transformation. The human genome contains nine Hsp70-family genes. These chaperones include Hsp70 and Hsc70, which are commonly over-expressed in cancers and which confer resistance to myriad cellular stresses, including cytotoxic chemotherapy.  The current assay was developed at the Sanford-Burnham Center for Chemical Genomics (SBCCG), based on Fluorescen-12-ATP binding to GST-Hsp70 in the presence of Terbium-labeled anti-GST antibody. The assay is aimed to support
3969	1	Complement factor C1s IC50 from mixture screen	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pennsylvania MLSCN Grant: X01-MH076406-01 Complement factor C1s (EC 3.4.21.42) is a trypsin-like serine protease that is activated in one of the first steps in the classical complement cascade. Despite the essential role for the complement cascade in immune defense, unregulated activation leading to acute inflammation and tissue damage has been implicated in many disease states. Under normal conditions the activity of C1s is modulated by its endogenous inhibitor, C1 esterase inhibitor. Pathological conditions lead to excessive activation of C1s; thus a small molecule inhibitor would be useful in the treatment of ischemia-reperfusion injury and other complement-mediated diseases. Assay The high-throughput screen for complement factor C1s inhibitors has been reported earlier (AID 538). The assay consisted of an end-point assay monitoring th
3970	1	Dose-response biochemical assay for inhibitors of Focal Adhesion Kinase (FAK)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center  Affiliation:  The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network:  Molecular Library Screening Center Network (MLSCN) Grant Proposal Number:  Not Applicable  PI: Peter Hodder External Assay ID:  FAK_INH_TRFRET_1536_IC50 Name: Dose-response biochemical assay for inhibitors of Focal Adhesion Kinase (FAK) Description: The focal adhesion kinase (FAK) is a tyrosine kinase involved in growth factor and integrin mediated signal transduction pathways [1]. It controls cell motility and migration by regulating the turnover of focal adhesions [2]. The expression of FAK is elevated in malignant breast cancer and its activity is required in vitro for the invasion of breast carcinoma cells and in vivo for lethal metastasis formation in mice [3]. Moreover, FAK mRNA expression has been shown to be increased in human metatstatic tumors as well as invasive tumors, compared to normal,
3971	1	Cathepsin B dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin B (EC 3.4.22.1) is a lysosomal cysteine protease. There has been a recent resurgence of interest in cathepsin B due to research showing that proteolysis by this enzyme is required for the entry and replication of the Ebola and SARS viruses in human cells. Thus cathepsin B inhibitors have potential as novel anti-viral agents.  Cathepsin B is also implicated in cancer progression. Upregulation and secretion of this enzyme occurs in many types of tumors and correlates positively with their invasive and metastatic capabilities. Cathepsin B facilitates tumor invasion by dissolving extracellular barriers. Inhibitors of cathepsin B thus have been studied as potential anti-cancer agents. A high-throughput screen for cathepsin B
3972	1	Cathepsin L dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human cells. Thus cathepsin L inhibitors have potential as novel anti-viral agents. Cathepsin L inhibitors may also be active against Plasmodium falciparum, the parasite responsible for human malaria. Plasmodium contains cathepsin L-like cysteine proteases known as falcipains that appear to promote virulence of the parasite through haemoglobin digestion and erythrocyte invasion. A high-throughput screen for cathepsin L inhibitors was designed as an end-point assay monitoring the release of the fl
3973	1	RNA polymerase dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Arkady Mustaev, Public Health Research Institute, Newark, NJ Grant number: MH076325-01 DNA-directed RNA polymerase (EC 2.7.7.6) is responsible for bacterial RNA synthesis and as such is essential for bacterial gene expression. Owing to its central role in DNA transcription, the enzyme RNA polymerase is the target of various natural antibiotics. The best known is rifampicin, a potent and broad-spectrum anti-infective agent that is particularly effective against intracellular pathogens, such as Mycobacterium tuberculosis, for which it is one of the most widely used chemotherapeutic agents. However, the emergence of drug-resistant bacteria has become a major public health problem, so the discovery of novel RNA polymerase inhibitors is an important goal.  A high-throughput screen was designed to discover novel in
3974	1	Complement C1s ELISA	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsylvania  MLSCN Grant: X01-MH076406-01 The classical pathway mediates specific antibody responses. The classical pathway is initiated by the binding of antibodies to cell surface antigens. Subsequent binding of the antibody to complement C1q subunits of C1 result in catalytically active C1s subunits. The two activated C1s subunits are then able to catalyze the assembly of the C3 convertase (complement C4b2a) from complements C2 and C4.(Ref. 1) Assay The high-throughput screen on mixture plates for complement factor C1s inhibitors and single compound IC50 determination of active compounds has been reported earlier (AID 538 and AID 787).  In this assay, we use ELISA, which can determine the activity of the classical pathway as a whole, to test the activity of hits from the C1s mixture screen.  Materials Human Serum was purchased from Comp
3975	1	Cathepsin S dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human cathepsin S (EC 3.4.22.27) is a lysosomal cysteine protease that is expressed in antigen-presenting cells, especially dendritic cells, B-cells and macrophages. Cathepsin S plays a key role in the processing of antigenic peptides for presentation by MHC Class II molecules on the surface of antigen-presenting cells. Thus inhibitors of cathepsin S may be immunomodulators effective in the treatment of autoimmune diseases. A high-throughput screen for cathepsin S inhibitors was designed as an end-point assay monitoring the release of the fluorophore aminomethyl coumarin (AMC) upon enzymatic hydrolysis of an AMC-labeled dipeptide. Primary HTS results have been reported previously (AID 501). Compounds identified as hits in HTS of mixtures of 1
3976	1	Cathepsin G dose-response confirmation	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Cathepsin G (EC 3.4.21.20) is a chymotrypsin-like serine protease that is secreted from neutrophils. Disregulated cathepsin G activity is implicated in the progression of various chronic inflammatory diseases such as asthma and chronic pulmonary obstructive disease. Thus cathepsin G inhibitors represent useful probes to further elucidate the role of this enzyme in inflammation and may provide a starting point for the development of novel therapeutic agents. A high-throughput screen for cathepsin G inhibitors was designed as an end-point assay monitoring the release of the fluorophore aminomethyl coumarin (AMC) upon enzymatic hydrolysis of an AMC-labeled dipeptide. Primary HTS results have been reported previously (AID 581). Compounds identifi
3977	1	Dose-response biochemical assay for antagonists of the interaction between the Eph receptor B4 (EphB4) and its ligand ephrin-B2 via TNYL-RAW peptide	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Kuhn, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079857-01 Grant Proposal PI: Peter Kuhn External Assay ID: EphB4TNYLRAW_INH_FP_1536_IC50 Name: Dose-response biochemical assay for antagonists of the interaction between the Eph receptor B4 (EphB4) and its ligand ephrin-B2 via TNYL-RAW peptide Description: The erythropoietin-producing hepatocellular (Eph) receptor family is the largest family of receptor tyrosine kinases identified to date, with 16 structurally similar family members(1). The Eph family plays important roles in both the developing and adult tissues, and is involved in biological processes such as tissue patterning, vascular system development, axonal guidance, and neuronal development (2-4). During vascular development, the Eph receptor B4 (EphB4) is p
6501	3	Radioligand Binding Assay	Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 uL binding buffer (5% DMSO, 50mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 uM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200uL ice-cold binding buffer. Filter plates were subsequently dried at 50C for 1-2 hours. Fifty uL/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
3978	1	Mycobacterium tuberculosis Pantothenate Synthetase Secondary Assay	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: 1R03MH076412-01 Multi-drug resistant Mycobacterium tuberculosis is becoming an increased health problem, especially in immunocompromised individuals with HIV. This form of TB is more difficult to treat and as a result has a higher mortality rate. Because of this, the discovery of drugs targeting novel pathways such as the synthesis of pantothenate has become increasingly important. Pantothenate synthetase (PS; EC 6.3.2.1), encoded by the panC gene, catalyzes the essential ATP-dependent condensation of D-pantoate and alpha-alanine to form pantothenate in bacteria, yeast and plants; pantothenate is a key precursor for the biosynthesis of coenzyme A (CoA) and acyl carrier protein (ACP). The activity of PS was measured spectrophotometrically by coupling the formation of AMP to the reactions of myokinase, pyruva
819	1	WRN activity Format A	Full length WRN protein (aa 2-1432) (production described separately) was used for the biochemical activity assays. The 39-mer ssDNA “C6.18” (CAGCTATGGGACATTTGATACCGAGCAACAATTCACTGG) was purchased from IDT and used as a substrate. Quantification of ATP hydrolysis was evaluated using the ADP-Glo assay kit (Promega, Madison, WI).  An enzyme titration time-course was performed to determine the optimal assay conditions. Based on these results, the assay setup included 0.25nM WRN protein, 100nM C6.18 ssDNA, and 10μM ATP in the following assay buffer: 20mM HEPES, pH 7.5, 100mM KCl, 1.5mM MgCl2, 0.01% NP-40, 3% glycerol, 5mM EGTA, 0.5mM DTT, 0.1mg/mL BSA prepared in MilliQ water. To evaluate the inhibitory effects of the compounds, 11-point 3-fold serial dilutions were prepared in DMSO.50nL of each concentration in duplicate was preincubated for 30 minutes in a 384-well microplate (Greiner #784075) with 5μL of 0.5nM WRN in assay buffer. The reaction was initiated by adding 5μL of 200nM C6.18 DNA with 20μM ATP and was allowed to proceed for 30 minutes at room temperature. The reaction was stopped with 10μL ADP-Glo reagent for 1 hour to remove unreacted ATP. Lastly, 20μL ATP detection reagent was added and incubated for 1 hour to generate the luminescence signal. Control wells included “high controls” with no inhibition (DMSO, no compound) and “low controls” with maximum inhibition (no WRN). Luminescence was recorded on a PHERAstar (BMG Labtech, Ortenberg, Germany).  Data was fit using the “Smart Fit” method within the Genedata Screener Software (Basel, Switzerland) to obtain IC50 values using four-parameter fits. Reported IC50s are the geometric means of at least two independent trials.
819	2	WRN activity Format B	Full length WRN protein (aa 2-1432) (production described separately) was used for the biochemical activity assays. The 39-mer ssDNA “C6.18” (CAGCTATGGGACATTTGATACCGAGCAACAATTCACTGG) was purchased from IDT and used as a substrate. Quantification of ATP hydrolysis was evaluated using the ADP-Glo assay kit (Promega, Madison, WI).  An enzyme titration time-course was performed to determine the optimal assay conditions. Based on these results, the assay setup included 0.25nM WRN protein, 100nM C6.18 ssDNA, and 100μM ATP in the following assay buffer: 20mM HEPES, pH 7.5, 100mM KCl, 1.5mM MgCl2, 0.01% NP-40, 3% glycerol, 5mM EGTA, 0.5mM DTT, 0.1mg/mL BSA prepared in MilliQ water. To evaluate the inhibitory effects of the compounds, 11-point 3-fold serial dilutions were prepared in DMSO.50nL of each concentration in duplicate was preincubated for 60 minutes in a 384-well microplate (Revvity #6007299) with 5μL of 0.5nM WRN 200μM ATP in assay buffer. The reaction was initiated by adding 5μL of 200nM C6.18 DNA and was allowed to proceed for 30 minutes at room temperature. The reaction was stopped with 10μL ADP-Glo reagent for 1 hour to remove unreacted ATP. Lastly, 20μL ATP detection reagent was added and incubated for 1 hour to generate the luminescence signal. Control wells included “high controls” with no inhibition (DMSO, no compound) and “low controls” with maximum inhibition (no WRN). Luminescence was recorded on an EnSight multimode plate reader (Revvity # HH34000000).  Data was fit using the “Smart Fit” method within the Genedata Screener Software (Basel, Switzerland) to obtain IC50 values using four-parameter fits. Reported IC50s are the geometric means of at least two independent trials.
3982	1	Concentration Response Redox Cycling H2O2 Generation assay to characterize small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS.	List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be tested in 10-point concentration response assays in the presence of 0.5 mM DTT.   The PLK-1-PBD hit characterization compound concentration dependent redox cycling H2O2 generation assay in the presence of 0.5 mM DTT, has been developed to evaluate actives that were identified in the in vitro PLK1-PBD binding primary screen AID 693,  conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). MH078944  #High throughput fluorescence polarization-based assay to screen for small molecule inhibitors of the Polo box domain (PBD) of Plk1#proposal submitted by Dr. Michael Yaffe of MIT. The compound dose dependent redox cycling H2O2 generation assay was developed to determine whether any of the PLK-1-PBD inhibitor compounds might be indirect binding inhibito
3983	1	Concentration Response fluorescence polarization-based assay to confirm small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS.	List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be confirmed in 10-point concentration response assays.  Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation of anaphase-promoting complex and execution of cytokinesis. The prototypic Polo kinase was originally identified in flies, in which mutants resulted in abnormal spindle poles. A single Polo family member is found in flies, budding yeast, and fission yeast (Polo, CDC5 and Plo1, respectively), while 3 Plk family members are found in humans, mice and frogs (Plk1/Plx1, Plk2/Snk/Plx2 and Plk3/Fnk/Prk/Plx3 respectively). One human family member, Plk1, as well as its homologues in Xenopus (Plx1) and buddi
3984	1	Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)	NIH Molecular Libraries Screening Centers Network [MLSCN] NIH Chemical Genomics Center [NCGC] MLSCN Grant: MH079825-01 Assay Provider: Shoichet, Brian K. This aggregation profiling approach exploits the sensitivity of aggregate formation to detergent. Inhibition of b-lactamase is measured in the presence and absence of 0.01% Triton X-100 (Feng 2007). This particular assay is a confirmation of previous qHTS (Inglese, 2006), Pubchem AID 584, assay with presence of 0.01% Triton X-100. For a related assay without detergent, see AID 585. Compounds that inhibit only in the absence of detergent are considered likely promiscuous aggregators. This confirmation assay is a cuvette-based screen of an oxadiazole carbamate series which is an expansion around docking hit Pubchem SID 4244870.
3985	1	Luminescent assay for identification of inhibitors of human intestinal alkaline phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: XO1 MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa.  IAP is inhibited by a number of inhibitors (1). They include L-phenylalanine, (2, 3), L-tryptophan (4), L-leucine and phenylalanine-g
3986	1	sEH_DR_Inh_Infinite200_Fluorescence_01072008	Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affiliation: Columbia University Molecular Screening Center Assay Provider: Dr. Bruce D. Hammock, UC, Davis, CA. Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: X01 MH078954-01 Hypertension and vascular inflammation are associated with cardiovascular diseases, the primary cause of death in our society. Because a large proportion of patients are not responding to current therapies, the next generation of drugs will not only need to reduce blood pressure but also treat vascular and renal inflammation as well as reduce smooth muscle cell proliferation, which in turn should also reduce hypertension related organ damage. Using inhibitors developed in the Hammock laboratory, it was shown that the inhibition of soluble epoxide hydrolase (sEH) has therapeutic application in the treatment of hypertension and several in
3988	1	MKP-3 in vitro secondary assay for identification of irreversible and slow-binding inhibitors	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg This assay is designed as a counter-screen for the MKP-3 in vitro HTS assay (AID 425) aimed at identification of compounds with time-dependent behavior.  MKP-3 (mitogen-activated protein kinase phosphatase-3; EC 3.1.3.48, EC 3.1.3.16), a dual specificity phosphatase negatively regulates ERK1/2 by catalyzing the removal of a phosphoryl group from Thr(P) and Tyr(P) in the activation loop consensus motif -pTXpY. MKP-3 has a labile cysteine in its active site that is crucial for the catalysis. As a result compounds capable of cysteine oxidation or modification are likely to appear as screening hits. The current biochemical assay is designed as a rapid diagnostic tool for identification of
3989	1	SMAD Transcription Factor Inhibitors Secondary Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University of Wisconsin-Madison MLSCN Grant: 1R21NS057002-01 Assay Overview:     Transforming growth factor beta (TGF-Beta) regulates a variety of processes in mammalian cells, including proliferation, apoptosis, cell migration and extracellular matrix production. Aberrant increases in TGF-Beta signaling have been implicated in several pathological conditions including cancer and fibrosis. Inhibition of TGF-Beta signaling is an important tool in elucidating the multiple biological functions of TGF-Beta and is of significant interest as a potential therapeutic strategy in fibrotic diseases and several advanced cancers.     Smad proteins mediate cellular responses to TGF-Beta. TGF-Beta alters cellular gene expression and cell behavior by binding and activating the Type II and Type I serine kinase receptors on the cell membrane. Activated Type I recep
3990	1	In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay for SAR Study	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute This Bfl-1 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the Bfl-1 fluorescence polarization HTS assay (AID 432). Bfl-1, also known as A1 in mice is an anti-apoptotic and NF-kB-inducible member of the Bcl-2 protein family involved in regulation of apoptosis. Due to difficulties with accomplishing targeted gene ablation in mouse models, the endogenous functions of Bfl-1 are largely unknown. Chemical inhibitors of Bfl-1 can be used as research tools for neutralizing Bfl-1 in human and mouse cells.
3991	1	In Vitro Hsp70 Dose Response Fluorescence Polarization Assay for SAR Study	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute  This Hsp70 dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the fluorescence polarization HTS assay for Hsp70 Inhibitors (AID 583). Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant transformation. The human genome contains nine Hsp70-family genes.  These chaperones include Hsp70 and Hsc70, which are commonly over-expressed in cancers and which confer resistance
3992	1	Estrogen Receptor-alpha Coactivator Binding Inhibitors ELISA Secondary Assay	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois at Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview       Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are well validated protein targets for various aspects of women&#39;s health and breast cancer prevention and treatment. As an essential step in their action as regulators of gene transcription, the ERs recruit various coregulator proteins, both coactivators and corepressors, to the DNA-bound (or protein tethered) ER. These coregulators have various activities: alteration of chromatin architecture, regulation of nucleosome core histone modifications (acetylation, methylation, phosphorylation), and
3993	1	Estrogen Receptor (alpha) binding:  Dose Response of Primary Screen Assay	University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD  Assay Development: Megan Dennis  Assay Implementation: Megan Dennis, Mark Haynes, PhD  Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Roles for estrogen in mammalian female reproductive development are among the best defined, but estrogen also plays a part in regulation of skeletal cancer, (cardio)vascular function, the central nervous system as well as in the immune system. Stimulation with estrogen induces many signaling pathways, leading to an array of cellular responses including adhesion, migration, survival, proliferation and angiogenesis in both normal and neoplastic tissues [Edwards et al., 2005].  Effects of estrogen
3995	1	GAPDH Dose Response Colorimetric Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: None  This glyceraldehydes-3-phosphate dehydrogenase (GAPDH; EC 1.2.1.12) dose-response assay is developed and performed at the Sanford-Burnham Center for Chemical Genomics for characterization of the hits of biochemical assays.  GAPDH is found in all mammalian tissues, and is considered a "housekeeping enzyme" unaffected by most physiological, hormonal, and metabolic changes. Therefore, compounds that inhibit GAPDH are expected to have pronounced cytotoxic effect and would be unfavorable as chemical probes.  In addition, GAPDH has a labile cysteine in its active site that is crucial for the catalysis, resembling several other enzyme groups, such as cysteine-based proteases and phosphatases. As a result, the compounds capable of cysteine oxidation or mod
3997	1	High Throughput Screen to Identify Compounds that Inhibit Class II HMG-CoA Reductases  - Confirmatory Screen	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Submitted by Dr. Cynthia Stauffacher (Purdue University) Award: 1-R03-MH082373-01 A number of common human pathogens, including Enterococcus faecalis, Streptococcus pneumoniae, and Staphylococcus aureus, are becoming progressively more resistant to antibiotics and pose a serious public health threat, especially to post-surgical and trauma patients. Therefore, the discovery of drugs targeting novel pathways in these pathogens has become increasingly important.  The synthesis of isoprenoids, which in these gram-positive pathogenic bacteria (Hedl, 2002) occurs exclusively via the mevalonate pathway, is essential for their survival.  The central mevalonate pathway enzyme, 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR; EC 1.1.1.34), reduces HMG-CoA to mevalonate using NADPH (Hedl, 2004).  Bacterial HMG-CoA redu
3999	1	Fluorescence Polarization Dose Response Assay for TR3-Based Bcl-B Inhibitors	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute         This dose response assay is developed and performed for the purpose of confirming hits originally identified in Fluorescence Polarization Screen Assay for Bcl-B Phenotype Converters (AID 1240).         Bcl-B is an anti-apoptotic member of the Bcl-2 family that is prominently expressed in plasma and multiple myeloma cells. TR3 (NR4A1; HMR; NP10; GFRP1; NAK1; NUR77; NGFIB) is an orphan member of the steroid/thyroid/retinoid nuclear receptor superfamily that translocates from cellular nuclei to mitochondria upon exposure to various pro-apoptotic stimuli.  At mitochondria, TR3 binds to Bcl-B and converts it into a pro-apoptotic protein.  A specific 9-amino
4000	1	Counter Screen for TR3-Based Bcl-B Inhibitors: Fluorescence Polarization Bcl-B/FITC-Bim-BH3 Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA). Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077632-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute         This assay is a counter screen for compounds identified in the Bcl-B/FITC-TR3 fluorescence polarization assay (AID 1240).         Bcl-B is an anti-apoptotic member of the Bcl-2 family that is prominently expressed in plasma and multiple myeloma cells. TR3 (also known under NR4A1, HMR, NP10, GFRP1, NAK1, NUR77, and NGFIB) is an orphan member of the steroid/thyroid/retinoid nuclear receptor superfamily that translocates from cellular nuclei to mitochondria upon exposure to various pro-apoptotic stimuli.  At mitochondria, TR3 binds to Bcl-B and converts it into a pro-apoptotic protein.  A specific 9-amino acid sequence within the full length TR3 is able to
4001	1	YopH - IC50 determinations (10 point dose range)	Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague remains a threat in many areas in the world. Outbreaks of hundreds of cases still occur in Asia, Africa and South America and, in the United States cases are reported sporadically, mainly because of people handling infected animals or by being bitten by infected wild rodent fleas (http://www.cdc.gov). YopH (Yersinia outer protein H) is a protein essential for the virulence of Yersinia. YopH is a protein tyrosine phosphatase that antagonizes several signaling pathways including those associated with the phagocytosis of bacteria by host cells (Fallman et al., 1997). Upon infection, YopH is translocated into the target cell, where it localizes to focal complexes. Several proteins have been identified as substrates for YopH including Cas, paxillin, SKAP-HOM, Fyb and Pyk (Viboud and Bliska, 2005). Because the phosphatase activity of the Yersinia 
4002	1	YopH - IC50 determinations (10 point dose range)	Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague remains a threat in many areas in the world. Outbreaks of hundreds of cases still occur in Asia, Africa and South America and, in the United States cases are reported sporadically, mainly because of people handling infected animals or by being bitten by infected wild rodent fleas (http://www.cdc.gov). YopH (Yersinia outer protein H) is a protein essential for the virulence of Yersinia. YopH is a protein tyrosine phosphatase that antagonizes several signaling pathways including those associated with the phagocytosis of bacteria by host cells (Fallman et al., 1997). Upon infection, YopH is translocated into the target cell, where it localizes to focal complexes. Several proteins have been identified as substrates for YopH including Cas, paxillin, SKAP-HOM, Fyb and Pyk (Viboud and Bliska, 2005). Because the phosphatase activity of the Yersinia 
4003	1	YopH - IC50 determinations (10 point dose range)	Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague remains a threat in many areas in the world. Outbreaks of hundreds of cases still occur in Asia, Africa and South America and, in the United States cases are reported sporadically, mainly because of people handling infected animals or by being bitten by infected wild rodent fleas (http://www.cdc.gov). YopH (Yersinia outer protein H) is a protein essential for the virulence of Yersinia. YopH is a protein tyrosine phosphatase that antagonizes several signaling pathways including those associated with the phagocytosis of bacteria by host cells (Fallman et al., 1997). Upon infection, YopH is translocated into the target cell, where it localizes to focal complexes. Several proteins have been identified as substrates for YopH including Cas, paxillin, SKAP-HOM, Fyb and Pyk (Viboud and Bliska, 2005). Because the phosphatase activity of the Yersinia 
1414	1	Enzyme Binding Assays (KINOMEscan)	PIP4K2C binding constants disclosed herein were determined using the proprietary Human PIP4K2C binding assay (Catalog number 87-0007-1094, Eurofins DiscoverX, San Diego, CA). This assay measures active site-directed competition binding to an immobilized ligand (see https://doi.org/10.1038/nbt1068, herein incorporated by reference in its entirety). Experiments were conducted using an 11-point dose response curve, in duplicate, with a top starting concentration of 5 micromolar; the Levenberg–Marquardt algorithm was used to fit a Hill equation to dose-response data to calculate IC50 values.
1508	1	Monitoring the TRPM3 Ion Channel Driven Ca2+ Uptake	In order to monitor the inhibition of the mouse TRPM3α2 (mTRPM3) ion channel by the compounds of the invention, a cellular system making use of an mTRPM3alpha2 or hTRPM3 overexpressing cell line (flip-in HEK293) was used. The TRPM3 channel was stimulated/opened with Pregnenolone sulfate (PS) (50 μM) which results in Ca2+ influx. For mTRPM3, the intracellular Ca2+ was measured with a Calcium responsive dye. Fluor-4 AM ester (Invitrogen). Cells were cultured until a confluence of 80-90%, washed with Versene (Invitrogen) and detached from the surface by a short incubation with 0.05% Trypsin (Invitrogen). The trypsination process was stopped by the addition of complete cell culture medium (DMEM, glutamax, 10% FCS,NEAA,Pen-Strep). Cells were collected and resuspended in Krebs buffer without Calcium at RT. Prior the cell seeding (±2000 cells/well into a black, 384 well plate (Greiner)) the diluted compound was added in the assay plate, together with the PS dissolved in Krebs buffer containing Calcium. This resulted in a 2.4 mM Ca2+ assay solution. Directly after cell addition the plates were read on an Envision fluorescence reader (Perkin Elmer) by an Excitation of 485 nM and emission at 535 nM. Channel inhibition was calculated compared to a non-PS stimulated control versus a condition stimulated with PS (50 μM) with vehicle. The ability of the compounds of the invention to inhibit this activity was determined as: Percentage inhibition=[1-((RFU determined for sample with test compound present—RFU determined for sample with positive control inhibitor) divided by (RFU determined in the presence of vehicle—RFU determined for sample with positive control inhibitor))]*100.
4008	1	Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Scripps Florida Network:  Molecular Library Screening Center Network (MLSCN) Grant Proposal Number ML00111 Grant Proposal PI: Philip LoGrasso External Assay ID: JNK3_INH_TR-FRET_1536_IC50 Name: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3) Description: The c-Jun N-Terminal Kinases (JNK) are members of the mitogen activated protein (MAP) kinase family of enzymes. Among the many substrates phosphorylated by JNKs is the N-terminal activation domain of the transcription factor c-Jun.  So far, three genes have been found to encode for JNK kinases, namely JNK1, JNK2 and JNK3. Whereas JNK1 and JNK2 exhibit a ubiquitous human expression pattern, JNK3 expression appears to be largely restricted to the brain [1]. JNKs are activated by a variety of stimuli including cytokines, ultra violet light,
4009	1	Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Patrick Griffin, Scripps Florida External Assay ID: PPARgSRC1_AG_TRFRET_1536_EC50 Name:  Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma) Description: Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear receptor superfamily and are lipid sensors functioning as ligand-dependent transcription factors regulating gene expression patterns of diverse biological processes [1, 2].  PPARs play a critical role in metabolic processes such as glucose metabolism, lipid metabolism, and have been implicated in anti-atherogenic, anti-inf
4010	1	Multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-2	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studie
4011	1	Multiplexed dose response screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Mcl-1.	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4012	1	Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Tekai et al. 2001; Wennerberg et al. 2005].  The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal rearrangements and responses to signaling, Arf/Sar proteins regulating membrane and microtubule dynamics as well
4013	1	Multiplexed dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Tekai et al. 2001; Wennerberg et al. 2005].  The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal rearrangements and responses to signaling, Arf/Sar proteins regulating membrane and microtubule dynamics as well
4014	1	Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Takai et al. 2001; Wennerberg et al. 2005].  The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal rearrangements and responses to signaling, Arf/Sar proteins regulating membrane and microtubule dynamics as well
4015	1	Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Takai et al. 2001; Wennerberg et al. 2005].  The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal rearrangements and responses to signaling, Arf/Sar proteins regulating membrane and microtubule dynamics as well
4016	1	AKT counterscreen of confirmed PKD inhibitors-57K library	The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01).  Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and cancer in multiple organ systems. However, the mechanisms underlying these effects of PKD are not clearly understood, and the role of PKD in cancer and other diseases has not been fully defined. This is partly due to the lack of effective pharmacological tools that specifically target PKD in normal cellular processes and in pathological conditions. The immediate goal of this proposal is to demonstrate the feasibility of an IMAP-based HTS fluorescent polarization (FP) assay and its use to identi
4017	1	CDK7 counterscreen of confirmed PKD inhibitors-57K library addition	The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01).  Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and cancer in multiple organ systems. However, the mechanisms underlying these effects of PKD are not clearly understood, and the role of PKD in cancer and other diseases has not been fully defined. This is partly due to the lack of effective pharmacological tools that specifically target PKD in normal cellular processes and in pathological conditions. The immediate goal of this proposal is to demonstrate the feasibility of an IMAP-based HTS fluorescent polarization (FP) assay and its use to identi
4018	1	PLK1 counterscreening assay  for identified PKD inhibitors	The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01).  Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and cancer in multiple organ systems. However, the mechanisms underlying these effects of PKD are not clearly understood, and the role of PKD in cancer and other diseases has not been fully defined. This is partly due to the lack of effective pharmacological tools that specifically target PKD in normal cellular processes and in pathological conditions. The immediate goal of this proposal is to demonstrate the feasibility of an IMAP-based HTS fluorescent polarization (FP) assay and its use to identi
4019	1	RNA polymerase SAR	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Arkady Mustaev, Public Health Research Institute, Newark, NJ Grant number: MH076325-01 DNA-directed RNA polymerase (EC 2.7.7.6) is responsible for bacterial RNA synthesis and as such is essential for bacterial gene expression. Owing to its central role in DNA transcription, the enzyme RNA polymerase is the target of various natural antibiotics. The best known is rifampicin, a potent and broad-spectrum anti-infective agent that is particularly effective against intracellular pathogens, such as Mycobacterium tuberculosis, for which it is one of the most widely used chemotherapeutic agents. However, the emergence of drug-resistant bacteria has become a major public health problem, so the discovery of novel RNA polymerase inhibitors is an important goal.  A high-throughput screen was designed to discover novel in
4020	1	E3 Ligase dose-response_384	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modification of proteins in many species, including mammals. The dipeptide boronic acid bortezomib is a potent proteasome inhibitor, has selective anticancer activity in tumor cells and in mice and was recently approved for clinical use in multiple myeloma. MDM2 E3 ligase is involved in numerous types of human cancer. Selective E3 ligase inhibitors would be preferable as they would be more selective and less toxic. Inhibitors of the MDM2-UBCH5 interaction should disrupt the E3 ligase activity of M
4021	1	Dose response cell-based assay to measure STAT1 inhibition	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider:  David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT1_INH_LUMI_1536_IC50    Name: Dose response cell-based assay to measure STAT1 inhibition Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer elements in target genes (2). Although structurally similar, STAT prote
4022	1	Dose response cell-based assay to measure STAT3 activation	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01 Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT3_ACT_LUMI_1536_EC50    Name:  Dose response cell-based assay to measure STAT3 activation Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer elements in target genes (2). Although structurally similar, STAT protei
4023	1	Dose response counterscreen for STAT1 activators: cell-based high throughput assay to measure STAT3 activation	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute  Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT3_ACT_LUMI_1536_EC50 (CSDRUN)    Name:  Dose response counterscreen for STAT1 activators: cell-based high throughput assay to measure STAT3 activation Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2).  In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer elements
4024	1	Dose response counterscreen assay for STAT3 activators: cell-based high throughput assay to measure STAT1 activation	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider:  David Frank, Dana Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT1_ACT_LUMI_1536_EC50 (CSDRUN) Name: Dose response counterscreen assay for STAT3 activators: cell-based high throughput assay to measure STAT1 activation Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer element
4027	1	Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP dose response assay is developed and performed to confirm hits originally identified in the XIAP HTS binding assay (AID 1018) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibitor of Apoptosis Proteins (IAPs), a family of evolutionarily conserved anti-apoptotic proteins. Proteins
4028	1	SAR assay  for compounds activating TNAP in the absence of phosphate acceptor performed in a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 This TNAP dose response assay is developed and performed to confirm hits originally identified in the TNAP luminescent HTS assay (AID 1001) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organisms. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-non specific, named TNAP. TNAP deficiency is associated with defective bone mineralization in the form of rickets and osteomalacia. Therefore, t
4029	1	Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS binding at M1	Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site on the receptor, thus providing increased specificity for this single receptor subtype. It is anticipated that these compounds will provide important tools for the study of muscarinic receptor function in the CNS. Agents that enhance cholinergic transmission or activate muscarinic acetylcholine receptors (mAChRs) have been developed to ameliorate the loss of cognitive function in patients with Alzheimer&#39;s Disease (AD). While cholinergic agents have been partially successful in improving c
4030	1	Binding Asssay	Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.
4031	1	Inhibition Assay	Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei.  The inhibition of hexokinase by compounds was measured by assaying the enzyme activity in the direction of NADPH and NADH formation.  
4032	1	Inhibition Assay	Inhibition of HIV-protease activity for selected acids at P3-P3&#39; positions.  
4033	1	Inhibition Assay	Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 uM) and GNAASARR-NH2 (0.5 uM).
4034	1	Competition Assay	Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Leu-Thr-NHMe. 
4035	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4036	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Rubidium Flux	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4037	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4038	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4040	1	SAR analysis of Antagonists of IAP-family anti-apoptotic proteins	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP dose response assay is developed and performed to confirm hits originally identified in the XIAP HTS binding assay (AID 1018) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally.  The assay was performed in the assay providers&#39; laboratory. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibitor of Apoptosis Proteins (IAPs), a fami
4041	1	SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This dose response assay is developed and performed as a counter screen to compounds in the Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation (AID 1449) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally.  This assay was performed in the assay providers&#39; laboratory. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibi
4042	1	SAR analysis of compounds that potentiate TRAIL-induced apoptosis in PPC-1 cells.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This dose response assay is developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells" (AID 1443) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Cytotoxic chemotherapy induces apoptosis via a pathway involving mitochondria, sometimes referred to as the "intrinsic pathway." An acquired resistance to anticancer drugs commonly results from the accumulation of defects in components of the mitochondrial pathway for apoptosis. Discov
4043	1	SAR analysis of compounds that potentiate TRAIL-induced apoptosis in MDA-MB-435 cells.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  X01 MH083230-01 Assay Provider: Dr. Dmitri Rozanov, Sanford-Burnham Medical Research Institute, San Diego CA This assay was developed and performed to confirm hits originally identified in "uHTS for the identification of compounds that potentiate TRAIL-induced apoptosis of cancer cells" (AID 1443) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. The TRAIL-resistant cell line, MDA-MB-435 is used, because we would like to determine if compounds can potentiate TRAIL-mediated cytotoxicity not only in TRAIL-sensitive PPC-1 carcinoma cells(AIDs  1443 and 1624) but also in TRAIL-resistant cells. Cytotoxic chemotherapy induces apoptosis via a pat
4045	1	TNAP luminescent HTS assay	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organism. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepecifc, named TNAP. TNAP deficiency is associated with defective bone mineralization in the form of rickets and osteomalacia. Therefore, there are therapeutic potentials of inhibiting TNAP activity. The goal of this HTS is to identify novel and specific inhibitors of TNAP. TNAP screening was developed and performed at the Sanford-Burnham Center for Chemical Genomics (SBCCG) as part of the Molecular Library Screening Center Network (MLSCN). XO1 submission, MH077602-01, Pharmacological inhibitors o
4046	1	Colorimetric assay for HTS discovery of chemical inhibitors of EphA4 receptor antagonists	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Elena Pasquale, Sanford-Burnham Medical Research Institute EphA4 is a member of the large Eph family of receptor tyrosine kinases. The signaling ability of EphA4, and the other nine closely related EphA receptors, is activated by binding the six GPI-linked ephrin-A ligands. In addition, EphA4 also binds the three transmembrane ephrin-B ligands, which are the ligands for the other class of Eph receptors, the EphB receptors (EphB1-EphB6). Eph receptor-ephrin interaction requires cell-cell contact because both the receptor and the ligand are membrane-bound.  Importantly, signals are generated both through the Eph receptor kinase domain (forward signals) and through signaling molecules associated with the ephrins (reverse
4047	1	Counter Screen for Placental Alkaline Phosphatase-based Assays Positives	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077609-01 This functional assay was developed for detection of compounds inhibiting placental alkaline phosphatase. These compounds would be observed as false positives of assays employing alkaline phosphatase-based detection.  This assay was primarily utilized as counter screen for EphA4 hits identified in the screening assay, AID 689 performed at the Sanford-Burnham Center for Chemical Genomics (SBCCG).
4048	1	Dose response biochemical assay to identify inhibitors of the HIV Rev - RRE RNA interaction (disruption of protein-RNA interaction)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH078935-01 Grant Proposal PI: James R. Williamson External Assay ID: HIVREVRRE_INH_FRET_1536_ IC50 Name: Dose response biochemical assay to identify inhibitors of the HIV Rev - RRE RNA interaction (disruption of protein-RNA interaction) Description: Rev is a small basic protein that is critical for HIV replication (1). Early in infection, before synthesis of significant amounts of Rev, mRNA transcripts are processed by a default pathway that fully splices both introns. Export of these mRNAs to the cytoplasm for translation produces a set of small regulatory proteins, including Tat and Rev. Rev binds to the Rev-Responsive Element (RRE) on the  viral mRNA (2), which results in efficient export of singly spliced
4050	1	Identification of Molecular Probes that Activate MRP-1 - Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award 1X01-MH077620-01: Submitted by Dr. Gary A. Piazza (Southern Research Institute) in collaboration with Sharon Terry (Genetic Alliance) Pseudoxanthoma elasticum (PXE) is a rare genetic disorder (Bergen, 2007), which involves damage to connective tissues that result in multiple manifestations including skin abnormalities, blindness, and cardiovascular complications.  Recently, PXE has been found to be caused by loss of function mutations in the MRP-6 (ABCC6) gene (Chassaing, 2005). MRP-6 mutations have also been reported to be associated with a strong increase in the prevalence of premature coronary artery disease (Trip, 2002)  MRP-6 belongs to a family of ATP-dependent transmembrane proteins that function to transport solutes across plasma membranes.  In addition to their role in protecting tissues from xenobi
4051	1	Factor XIIa 1536 HTS Dose Response Confirmation	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider:  Scott L. Diamond, University of Pennsylvania   MLSCN Grant:  X01-MH076406-01 Target Factor XII (FXII) is a 80 kDa zymogen found at a concentration of 0.375 uM in plasma, and upon activation by kallikrein at R353, a disulfide-linked two chain molecule called factor XIIa alpha (FXIIa) is generated.  FXIIa is also capable of autoactivation by binding to negatively charged surfaces (1).  Kallikrein can also cleave other scissile bonds in FXIIa alpha outside of the catalytic domain at R334, R343, and R353, generating FXIIa beta, a 30 kDa enzyme that is no longer able to bind to surfaces, and which activates prekallikrein (PK) to kallikrein, using high molecular weight kininogen (HK) as a cofactor (2, 3).  FXIIa is irreversibly inhibited by C-1 inhibitor (C1INH), a 105 kDa plasma SERPIN (4-6).   FXII, PK, HK, C1INH, and factor XI (FXI) have been traditionally placed within the i
4054	1	Concentration Response Redox Cycling H2O2 Generation assay, 1 mM DTT,  to characterize small molecule inhibitors identified in the Polo box domain (PBD) of Plk1 Primary HTS.	List of compounds to be tested: Compounds that met the active criterion of Z-score is </= -3 in the in vitro PLK1-PBD binding primary screen AID 693, will be tested in 10-point concentration response assays in the presence of 1.0 mM DTT.   The PLK-1-PBD hit characterization compound concentration dependent redox cycling H2O2 generation assay in the presence of 1.0 mM DTT, has been developed to evaluate actives that were identified in the in vitro PLK1-PBD binding primary screen AID 693,  conducted by the University of Pittsburgh Molecular Screening Center (PMLSC) part of the Molecular Library Screening Center Network (MLSCN). MH078944  "High throughput fluorescence polarization-based assay to screen for small molecule inhibitors of the Polo box domain (PBD) of Plk1" proposal submitted by Dr. Michael Yaffe of MIT. The compound dose dependent redox cycling H2O2 generation assay was developed to determine whether any of the PLK-1-PBD inhibitor compounds might be indirect binding inhibit
4055	1	Screening for Inhibitors of the Mevalonate Pathway in Streptococcus Pneumoniae - DPM-DC - Secondary Assay	Southern Research Molecular Libraries Screening Center (SRMLSC)  Southern Research Institute (Birmingham, Alabama)  NIH Molecular Libraries Screening Centers Network (MLSCN)  Assay Provider: Dr. Thomas S. Leyh, Albert Einstein College of Medicine of Yeshiva University  Award: R03 MH078936-01 Streptococcus pneumoniae takes the lives of nearly 4,000 people daily and antibiotic resistant strains are becoming an increasing problem. Because of this, the discovery of drugs targeting novel pathways has become increasingly important. The mevalonate pathway produces isopentenyl diphosphate (the molecular building block of isoprenoids) and is essential for the survival of the pathogen in mouse lung and serum. The biosynthesis of isopentenyl diphosphate involves three consecutive reactions that are catalyzed by the enzymes mevalonate kinase (MK; E.C. 2.7.1.36), phosphomevalonate kinase (PMK; E.C. 2.7.4.2), and diphosphomevalonate decarboxylase (DPM-DC; E.C. 4.1.1.33). DPM-DC catalyzes the ATP-
4056	1	SAR analysis of an In Vitro TNAP Dose Response Luminescent Assay	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA                           This TNAP dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the TNAP luminescent HTS assay (AID 518)              Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organism. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepecifc, named TNAP. TNAP deficiency is associated with defective bone mineralization in the form of rickets and osteomalacia. Therefore, there are therapeutic potentials of inhibiting TNAP activity
4057	1	Concentration Response fluorescence polarization-based assay to test PMLSC Chemistry Core synthesized analogs of confirmed hits from the Polo box domain (PBD) of Plk1 Primary HTS.	List of compounds to be tested: 33 component starting materials and chemical analogs of the hits identified in the in vitro PLK1-PBD binding primary screen AID 693, and confirmed in the 10-point concentration response assay AID 877. None of the chemistry analogs tested were confirmed active. Extracted from the MH078944 proposal submitted by Dr. Michael Yaffe of MIT. The Polo-like kinases (Plks) play important roles in many cell cycle-related events including the initiation of mitosis, chromosome segregation, centrosome maturation, bipolar spindle formation, regulation of anaphase-promoting complex and execution of cytokinesis. The prototypic Polo kinase was originally identified in flies, in which mutants resulted in abnormal spindle poles. A single Polo family member is found in flies, budding yeast, and fission yeast (Polo, CDC5 and Plo1, respectively), while 3 Plk family members are found in humans, mice and frogs (Plk1/Plx1, Plk2/Snk/Plx2 and Plk3/Fnk/Prk/Plx3 respectively). One
4058	1	Fluorescent secondary assay for dose-response confirmation of chemical inhibitors of HePTP	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  This flu
4059	1	In Vitro Hsc70 Dose Response Fluorescence Polarization Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) MLSCN Grant: XO1 MH079863-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute  ) This Hsc70 dose response assay is developed and performed to study the specificity of analogs of hits tested in the "In Vitro Hsp70 Dose Response Fluorescence Polarization Assay for SAR Study" (AID 1072). Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant transformation. The human genome contains nine Hsp70-family genes. These chaperones include Hsp70 and Hsc70, which are commonly over-ex
4060	1	Estrogen Receptor (beta) binding:  Dose Response of Primary Screen Assay	University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossnitz, PhD  Assay Development: Megan Dennis  Assay Implementation: Megan Dennis, Mark Haynes, PhD  Target Team Leader for the Center: Eric Prossnitz, PhD (EProssnitz@salud.unm.edu) Assay Background and Significance: The physiological effects of estrogen are diverse and numerous, with roles in growth, development and homeostasis of numerous tissues. Roles for estrogen in mammalian female reproductive development are among the best defined, but estrogen also plays a part in regulation of skeletal cancer, (cardio)vascular function, the central nervous system as well as in the immune system. Stimulation with estrogen induces many signaling pathways, leading to an array of cellular responses including adhesion, migration, survival, proliferation and angiogenesis in both normal and neoplastic tissues [Edwards et al., 2005].  Effects of estrogen
4061	1	Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC2_AG_TRFRET_1536_EC50 Name:  Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma) Description: Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear receptor superfamily and are lipid sensors functioning as ligand-dependent transcription factors regulating gene expression patterns of diverse biological processes [1, 2].  PPARs play a critical role in metabolic processes such as glucose metabolism, lipid metabolism, and have been implicated in anti-atherogenic, anti-inflammatory as we
4062	1	Profiling Assay to determine GST-GSH interactions in multiplex bead-based assays (HPSMTB buffer)	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Profiling Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studies [H
4063	1	Multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-B protein.	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4064	1	Multiplexed dose response screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-W.	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4065	1	Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma)	Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center  http://molscreen.florida.scripps.edu/ Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Pat Griffin, TSRI Network: Molecular Library Screening Center Network (MLSCN) Grant Proposal Number: 1 X01 MH079861-01 Grant Proposal PI: Pat Griffin, TSRI External Assay ID: PPARgSRC3_AG_TRFRET_1536_EC50 Name:  Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma) Description: Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear receptor superfamily and are lipid sensors functioning as ligand-dependent transcription factors regulating gene expression patterns of diverse biological processes [1, 2]. PPARs play a critical role in metabolic processes such as glucose metabolism, lipid metabolism, and have been implicated in anti
4066	1	Multiplexed dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Takai et al. 2001; Wennerberg et al. 2005].  The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal rearrangements and responses to signaling, Arf/Sar proteins regulating membrane and microtubule dynamics as well
4067	1	Fluorescence polarization assay for PKD inhibitiors-interference assay-57K HTS campaign	The PKD HTS assay was developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) as part of the Molecular Library Screening Center Network (MLSCN)(1R03DA24898-01).  Protein kinase D (PKD) is a novel family of serine/threonine kinases targeted by diacylglycerol. It regulates many fundamental cell functions including cell proliferation, survival, differentiation and protein trafficking, and plays important roles in pathological conditions such as cardiac hypertrophy and cancer in multiple organ systems. However, the mechanisms underlying these effects of PKD are not clearly understood, and the role of PKD in cancer and other diseases has not been fully defined. This is partly due to the lack of effective pharmacological tools that specifically target PKD in normal cellular processes and in pathological conditions. The immediate goal of this proposal is to demonstrate the feasibility of an IMAP-based fluorescent polarization (FP) assay for high throughput scree
4068	1	Dose response cell-based assay to measure STAT3 inhibition	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider:  David Frank, Dana Farber Cancer Institute  Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT3_INH_LUMI_1536_IC50    Name:  Dose response cell-based assay to measure STAT3 inhibition Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer elements in target genes (2). Although structurally similar, STAT pro
4069	1	Dose response counterscreen for STAT1 inhibitors: cell-based high throughput assay to measure STAT3 inhibition	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frank, Dana Farber Cancer Institute  Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana Farber Cancer Institute External Assay ID:  STAT3_INH_LUMI_1536_IC50 (CSDRUN)    Name:  Dose response counterscreen for STAT1 inhibitors: cell-based high throughput assay to measure STAT3 inhibition Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer elements
4070	1	Dose response counterscreen assay for STAT3 inhibitors: cell-based high throughput assay to measure STAT1 inhibition	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider:  David Frank, Dana-Farber Cancer Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH079826-01  Grant Proposal PI: David Frank, Dana-Farber Cancer Institute External Assay ID:  STAT1_INH_LUMI_1536_IC50 (CSDRUN) Name: Dose response counterscreen assay for STAT3 inhibitors: cell-based high throughput assay to measure STAT1 inhibition Description: Members of the signal transducer and activator of transcription (STAT) family of transcription factors mediate inflammation, cell survival, differentiation, and proliferation (1, 2). In response to stimuli such as growth factors and cytokines (1-3), cytosolic STATs are activated by phosphorylation by the Janus-activated kinases (Jaks), inducing STAT dimerization, nuclear translocation, and binding to specific enhancer element
4071	1	Discovery of novel allosteric modulators of the M1 muscarinic receptor: Agonist NMS binding at M1	Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 muscarinic receptor Grant Number: 1 R03 MH077606-01 The M1 muscarinic receptor is thought to be an important therapeutic target in schizophrenia. A cell-based fluorometric calcium assay was developed for high throughput screening. This assay was used to identify compounds with high selectivity for the M1 receptor subtype that act at an allosteric site on the receptor, thus providing increased specificity for this single receptor subtype. It is anticipated that these compounds will provide important tools for the study of muscarinic receptor function in the CNS. Agents that enhance cholinergic transmission or activate muscarinic acetylcholine receptors (mAChRs) have been developed to ameliorate the loss of cognitive function in patients with Alzheimer&#39;s Disease (AD). While cholinergic agents have been partially successful in improving c
4072	1	Luminescent assay for HTS discovery of chemical inhibitors of placental alkaline phosphatase confirmation	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA. This PLAP dose response assay is developed and performed to confirm hits originally identified in the PLAP Luminescent HTS assay (AID 690) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified: three isozymes are tissue-specific and the fourth one is tissue-nonspecific. Placental alkaline phosphatase (PLAP) is high
4073	1	Counter Screen using XIAP-Bir3 of the Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This dose response assay is developed and performed as a counter screen to compounds in the Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation (AID 1449) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibitor of Apoptosis Proteins (IAPs), a family of evolutionarily conse
4077	1	Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: p97_INH_Lumi_384_IC50 Name: Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase Description:  Misfolded proteins accumulate in the endoplasmic reticulum (ER) in response to environmental stress (1). To reduce the burden these proteins place on the secretory pathway, eukaryotic cells have evolved a process, known as ER-associated degradation (ERAD), to recognize and eliminate these proteins (1, 2). The highly conserved p97 ATPase functions in ERAD by hydrolyzing ATP needed to export ubiquitinated substrates to the cytosol for degradation
4078	1	Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defects are defined as those caused by mutations in genes encoding enzymes used for the synthesis and transfer of lipid linked oligosaccharide (LLO) to newly synthesized proteins in the lumen of the ER. The steps in this pathway and the genes encoding them are very similar from yeast to human. It requires 30-40 single gene products, each dependent on the previous step in the linear sequence to produce and transfer the LLO to protein. Therefore, mutations in any step may cause a type of CDG. There is
4079	1	Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defects are defined as those caused by mutations in genes encoding enzymes used for the synthesis and transfer of lipid linked oligosaccharide (LLO) to newly synthesized proteins in the lumen of the ER. The steps in this pathway and the genes encoding them are very similar from yeast to human. It requires 30-40 single gene products, each dependent on the previous step in the linear sequence to produce and transfer the LLO to protein. Therefore, mutations in any step may cause a type of CDG. There is
4081	1	Luminescence counterscreen assay for p97 inhibitors: Dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: P97C522A_INH_LUMI_384_IC50 CS Name: Luminescence counterscreen assay for p97 inhibitors: Dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase. Description:  Misfolded proteins accumulate in the endoplasmic reticulum (ER) in response to environmental stress (1). To reduce the burden these proteins place on the secretory pathway, eukaryotic cells have evolved a process, known as ER-associated degradation (ERAD), to recognize and eliminate these proteins (1, 2). The highly conserved p97 ATPase functions in ERAD by hydr
4083	1	Cathepsin L dose-response testing in the presence of cysteine	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human cells. Thus cathepsin L inhibitors have potential as novel anti-viral agents. Cathepsin L inhibitors may also be active against Plasmodium falciparum, the parasite responsible for human malaria. Plasmodium contains cathepsin L-like cysteine proteases known as falcipains that appear to promote virulence of the parasite through haemoglobin digestion and erythrocyte invasion. A high-throughput screen for cathepsin L inhibitors was designed as an end-point assay monitoring the release of the fl
4084	1	Luminescence counterscreen assay for p97 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase: synthesized compounds.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Raymond Deshaies, California Institute of Technology Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085687-01 Grant Proposal PI: Raymond Deshaies, California Institute of Technology External Assay ID: p97C552A_INH _LUMI_384_IC50_SAR_CS ROUND1 Name: Luminescence counterscreen assay for p97 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of the C522A mutant p97 ATPase: synthesized compounds. Description:  Misfolded proteins accumulate in the endoplasmic reticulum (ER) in response to environmental stress (1). To reduce the burden these proteins place on the secretory pathway, eukaryotic cells have evolved a process, known as ER-associated degradation (ERAD), to recognize and eliminate these proteins (1, 2). The highly con
4085	1	HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations	Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year.  Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis.   Hexokinase (HK), the first enzyme in glycolysis, catalyses the transfer of the phosphoryl group of ATP to glucose yielding glucose-6-phosphate.  Several lines of experimental evidence confirm that HK activity is essential to T. brucei.  First, RNA interference (RNAi) of HK in BSF parasites is lethal (see below and (Albert et al., 2005)).  Also, attempts to generate knockouts have been unsuccessful (below and (Albert et al., 2005)).  Last, specific inhibitors of TbHK activity have been developed that are trypanocidal, albeit at high concentrations
4086	1	TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter Hodder, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: Not Applicable Grant Proposal PI: Peter Hodder, TSRI External Assay ID: PYK2_INH_HTRF_1536_3XIC50 Name: TR-FRET counterscreen for FAK inhibitors: dose-response biochemical high throughput screening assay to identify inhibitors of Proline-rich tyrosine kinase 2 (Pyk2) Description:  The focal adhesion kinase (FAK) is a tyrosine kinase involved in growth factor and integrin-mediated signal transduction pathways (1). It controls cell motility and migration by regulating the turnover of focal adhesions (2). The expression of FAK is elevated in malignant breast cancer and its activity is required in vitro for the invasion of breast carcinoma cells and in vivo for lethal metastasis formation in mice (3). Moreover, FAK mRNA
4087	1	Counter screen SAR assay for PMM2 inhibitors via a fluorescence intensity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Probe Production Centers Network (MLPCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA  Congenital Disorders of Glycosylation (CDGs) are rare genetic disorders in the synthesis of N-linked glycan chains. Mutations in PMM2, encoding phosphomannomutase 2 (PMM2, Man-6-P-> Man-1-P) cause the most common form, CDG-Ia. Patients have a host of problems including hypotonia, variable psychomotor retardation, seizures, peripheral neuropathy, cardiomyopathy, and protein losing enteropathy. There is no therapy for this disorder. A current approach to ameliorate the physiological conditions associated with CDG-Ia is to provide high influx of mannose for patience. We previously developed a HTS assay through the MLSCN to identify inhibitors of phos
4088	1	SAR assay for compounds that inhibit PHOSPHO1	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084086-01 Assay Provider: Dr. Jose Luis Milan, Sanford-Burnham Medical Research Institute, San Diego CA Mineralization of cartilage and bone occurs by a series of physicochemical and biochemical processes that together facilitate the deposition of hydroxyapatite (HA) in specific areas of the extracellular matrix (ECM). Experimental evidence has pointed to the presence of HA crystals along collagen fibrils in the ECM and also within the lumen of chondroblast- and osteoblast-derived matrix vesicles (MVs). Dr.  Milan&#39;s  working model is that bone mineralization is first initiated within the lumen of MVs. In a second step, HA crystals grow beyond the confines of the MVs and become exposed to the extracellular milieu where they continue to
4091	1	Dose Response for ABC transporter inhibitors: specifically ABCG2 screen, ABCB1 counter-screen	University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI:  Richard Larson MD, PhD  Assay Development:  Irena Ivnitski-Steele PhD  Assay Implementation:  Irena Ivnitski-Steele PhD, Juan Strouse PhD, Terry Foutz, Anna Waller PhD, Mark Carter  Target Team Leader for the Center: Bruce Edwards, PhD (BEdwards@salud.unm.edu Assay Background and Significance: The three major types of multidrug resistance (MDR) proteins in humans include members of the ABCB, the ABCC and the ABCG subfamilies. These proteins influence oral absorption and disposition of a wide variety of drugs. As a result, their expression levels have important consequences for susceptibility to drug-induced side effects, interactions, and treatment efficacy.  One of the most widely studied MDR-ABC transporter is P-glycoprotein (MDR or ABC B1 transporter). This protein functions to remove lipids and drugs as they intercalate and diffuse throu
1600	1	PARG enzymatic IC50 assay	PARG enzyme as incubated with compound or vehicle (DMSO) for 15 minutes or 2 hours in a 384 well plate. After adding the PARG substrate ADP-ribose-pNP, the plate was read for absorbance intensity at 405 nm. The vehicle (DMSO) with high absorbance intensity represents no inhibition of enzymatic reaction while the low control (no enzyme) with low absorbance intensity represents full inhibition of enzymatic reaction.
2321	1	Fluorescence Polarization Assay	Compounds were additionally tested for specificity of binding by displacement of FITC-labeled mouse NOXA (mNoxa; Peptide 2.0) peptide via fluorescence polarization assay (FP). FP assays were performed in two steps: single-point high-concentration compounds and dose response of fluorescence polarization hits. A1 was added at 3 μM to 100 μM of each compound in 20 mM Tris pH 7, 500 mM NaCl, 0.005% Tween-20 buffer. After addition of 375 nM labeled mNOXA, 96-well plates were incubated overnight at 20° C. in the dark to achieve equilibrium before fluorescence polarization was measured with a Biotek Synergy H2. Autofluorescent compounds and fluorescent quenching compounds were corrected via ratiometric correction as described by Shapiro et al., 2009. Any compounds that showed a significant shift in polarization, along with those identified in the thermal shift assays had a dose response measured via FP.Dose response curves were measured by adding 3 μM A1 to a serial two-fold dilution series of each compound ranging from 400 μM to 781 nM in 20 mM Tris pH 7, 500 mM NaCl, 0.005% Tween-20 buffer. Some compounds were further tested to assess the accuracy of these two-fold dilutions with serial 1.33-fold dilutions. A1, compounds, buffer and lastly, 375 nM FITC-labeled mNOXA were added to each well and incubated in the dark at 20° C. overnight to achieve equilibrium, followed by measurement of polarization. All dose responses were performed in triplicate.
2445	1	PI3Kα Inhibitors In Vitro	The results detailed above served to identify P-selectin as a target for tumor selective drug delivery and that the high affinity of fucoidan for P-selectin can be exploited to deliver locally therapeutically effective doses of the PI3K inhibitor BYL719, avoiding potentially toxic systemic drug exposure. Next, attention was turned to novel PI3K inhibitors with superior in vivo characteristics with respect to antitumor efficacy and known, mechanism-based PI3K liabilities.
2499	1	Cytochrome P450 Isoenzyme Inhibition Activity Test	The test compound, standard inhibitor (100× final concentration) and mixed substrate working solution were prepared; and the microsomes (purchased from Corning Inc) frozen in the −80° C. refrigerator were taken out and thawed. 20 μL of the test compound and standard inhibitor solution were added to the corresponding well position, and at the same time, 20 μL of the corresponding solvent was added to the control well position (NIC) without inhibitor and the blank control well position (Blank) without inhibitor; secondly, 20 μL of mixed substrate solution was added to the corresponding well position except the Blank well position (20 μL of PB was added to the Blank well position); human liver microsome solution was prepared (the solution was put back in the refrigerator immediately after marking the date after use), and then 158 μL of human liver microsome solution was added to all well positions; the sample plate was put in a 37° C.-water bath for pre-incubation, and then a coenzyme factor (NADPH) solution was prepared; after 10 minutes, 20 μL of NADPH solution was added to all wells, and then the sample plate was shaken well, and incubated in a 37° C.-water bath for 10 minutes; at the corresponding time point, 400 μL of cold acetonitrile solution (internal standard was 200 ng/mL tolbutamide and labetalol) was added to stop the reaction; after the sample plates were mixed well, the mixture was centrifuged at 4000 rpm for 20 minutes to precipitate protein; 200 μL of supernatant was added into 100 μL of water, and the mixture was shaken well and sent to LC/MS/MS for detection.
2519	1	KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A	The intrinsic potency for inhitibiton of KHK C or A activity may be measured using an enzymatic assay which measures the production of F1P. Compounds are prepared in DMSO and tested in a 10-point concentration curve, to create 3-fold serial dilutions of the compounds in a 96-well plate ranging from 20 μM to 1.02 nM. Enzyme is prepared in assay buffer [50 mM 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES), 10 mM potassium chloride, 100 mM magnesium chloride, 2 mM tris(2-carboxyethyl)phosphine (TCEP), 0.01% n-octyl glucoside] and incubated with compounds at RT for 15 min. The reaction is carried out in 100 μL volumes containing substrate concentrations of fructose (250 μM for KHK-C assay and 1.25 mM for KHK-A assay) and ATP (150 μM for both isoforms); which are further incubated at RT for 20 min. The reaction is then halted by the addition of stop buffer; consisting of 0.2% formic acid and 1 μg/ml 13C6-fructose-6-phosphate (13C6-F6P) internal standard. Plates are stored in −20° C. until RapidFire MS analysis.
2577	1	Radioligand Binding Data	The affinities of the synthesized compounds at hD2R and hD3R were tested by radioligand competition binding assays, using the agonist [3H]—(R)-(+)-7-OH-DPAT as radiotracer. Competition against an agonist radioligand allows for a more accurate determination of affinities for novel unlabeled D2-like agonists. Affinities of D2-like agonists and partial agonists, when determined in competition against agonist radioligand probe, reflect the ability of binding the receptors in their “active” state. Well known D3R preferential agonists pramipexole, (+)-PD-128,907 and the diastereomeric mixture of PF592,379 (synthesized as reported in literature) were tested in parallel with the synthesized bitopic analogue compounds, and in the same assay&#39;s conditions, to allow a better comparison of affinities and receptor subtype selectivity.
2577	2	Radioligand Binding Data 1	The affinities of the synthesized compounds at hD2R and hD3R were tested by radioligand competition binding assays, using the agonist [3H]-N-methylsiperone as radiotracer. Competition against an agonist radioligand allows for a more accurate determination of affinities for novel unlabeled D2-like agonists. Affinities of D2-like agonists and partial agonists, when determined in competition against agonist radioligand probe, reflect the ability of binding the receptors in their “active” state. Well known D3R preferential agonists pramipexole, (+)-PD-128,907 and the diastereomeric mixture of PF592,379 (synthesized as reported in literature) were tested in parallel with the synthesized bitopic analogue compounds, and in the same assay&#39;s conditions, to allow a better comparison of affinities and receptor subtype selectivity.
4094	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4095	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4100	1	Profiling Assay to determine GST-GSH interactions in multiplex bead-based assays	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01    HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Profiling Assay Background and Significance: The objective of the HTS associated with this counterscreen was to identify small molecule regulators of Ras and Ras-related GTPases (see Summary Report and PubChem AIDs 1333, 1334, 1335, 1336, 1337, 1339, 1340, 1341). The primary HTS assay was a no-wash fluorescent GTP-binding assay adapted to multiplexed, high-throughput measurements whereby multiple GTPases were simultaneously screened against the MLSCN library. The specificity is based on the observation that individual GTPases including wt and activated forms exhibit measurably distinct affinities for Bodipy-FI-GTP vs GTP. The assay
4101	1	Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS8-Galphao.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4102	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4103	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4104	1	Dose respone, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4105	1	QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-MH084162-01A1 Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC External Assay ID: 3CLPRO_INH_QFRET_1536_3XIC50 Name: QFRET-based dose response biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro). Description:  Coronaviruses are enveloped, large plus-strand RNA viruses that cause the common cold and other disorders such as lower respiratory tract infections and diarrhea (1). In 2003, the novel SARS coronavirus (SARS-CoV) was identified (2, 3) as the etiological agent of the global epidemic of severe acute respiratory syndrome (SARS), an atypical pneumonia that led to progre
4106	1	Luminescence-based dose response biochemical high throughput screening assay for inhibitors of the Heat Shock Protein 90 (HSP90)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Robert Matts, Oklahoma State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 X01 MH083240-01 Grant Proposal PI: Robert Matts, Oklahoma State University External Assay ID: HSP90_INH_LUMI_1536_3XIC50 Name: Luminescence-based dose response biochemical high throughput screening assay for inhibitors of the Heat Shock Protein 90 (HSP90) Description:  Hsp90 is a ubiquitously conserved molecular chaperone (1, 2) that assists the folding of client substrates involved in a variety of human disorders characterized by dysregulated cell proliferation (ie, cancer and viral infections), accumulation of protein aggregates (ie, neurodegenerative diseases) and stress-induced apoptotic cell death (ie, multiple sclerosis) (3). Its diverse biology stems in part from interactions
4107	1	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM): Analog Potency	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1  To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive therapeutic targets for cognition, Alzheimer&#39;s disease, and schizophrenia. In contrast, the adverse effects of cholinergic agents are thought to be primarily due to activation of peripheral M2 and M3 mAChRs. Due to the high sequence homology and conservation of the orthosteric ACh binding site among the mAChR subtypes, development of chemical agents that are selective for a single subtype has been largely unsuccessful, and in the absence of highly selective activators of M4, it has been imp
4108	1	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): Analog Dose Response with rM4	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive therapeutic targets for cognition, Alzheimer&#39;s disease, and schizophrenia. In contrast, the adverse effects of cholinergic agents are thought to be primarily due to activation of peripheral M2 and M3 mAChRs. Due to the high sequence homology and conservation of the orthosteric ACh binding site among the mAChR subtypes, development of chemical agents that are selective for a single subtype has been largely unsuccessful, and in the absence of highly selective activators of M4, it has been impo
4109	1	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): NMS Competition at rM4	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive therapeutic targets for cognition, Alzheimer&#39;s disease, and schizophrenia. In contrast, the adverse effects of cholinergic agents are thought to be primarily due to activation of peripheral M2 and M3 mAChRs. Due to the high sequence homology and conservation of the orthosteric ACh binding site among the mAChR subtypes, development of chemical agents that are selective for a single subtype has been largely unsuccessful, and in the absence of highly selective activators of M4, it has been impo
4110	1	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator (PAM): NMS Competition at rM4	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1 To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive therapeutic targets for cognition, Alzheimer&#39;s disease, and schizophrenia. In contrast, the adverse effects of cholinergic agents are thought to be primarily due to activation of peripheral M2 and M3 mAChRs. Due to the high sequence homology and conservation of the orthosteric ACh binding site among the mAChR subtypes, development of chemical agents that are selective for a single subtype has been largely unsuccessful, and in the absence of highly selective activators of M4, it has been impo
4111	1	SAR assay for compounds inhibiting TNAP in the absence of phosphate acceptor performed in a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: MH077602-01 Assay Provider: Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA                   This TNAP dose response assay is developed and performed for the purpose of SAR study on analogs of hits originally identified in the TNAP luminescent HTS assay (AID 518)              Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organism. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-nonsepecifc, named TNAP. TNAP overexpression is associated with excessive calcification observed in different tissues. Therefore, there are therapeutic potentials of in
4112	1	SAR VHR1 Fluorescent Assay for In Vitro dose response studies	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4113	1	SAR VHR1 absorbance Assay for In Vitro dose response studies.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4114	1	HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC b-galactosidase (b-gal), a hydrolase enzyme that catalyzes the hydrolysis of b-galactosides to monosaccharides is utilized in many different screening technologies involving enzyme reaction coupling and reporter assays, for example DiscoverX  b-Arrestin GPCR  assays such as the KOR1 Agonist or Antagonist.   This assay was developed and performed as a counterscreen for screening assays that utilize b-gal and a reaction that it catalyzes. By detecting inhibitors and activators of this enzyme, it is possible to attribute activity not to the primary assay in question, but rather to interaction with the method of detection.  References Fowler et al. (1970). "The amino acid sequ
4115	1	Luminescent HTS for small molecule inhibitors of MT1-MMP transcription	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH78949-01 Assay Provider: Dr. Alex Strongin, Sanford-Burnham Medical Research Institute The sustained presence of matrix metalloproteinases (MMPs) in a tumor environment is a characteristic of many cancer types. The expression of the MT1-MMP mRNA and the MT1-MMP protein closely correlates with increased tumor volume, tumor invasiveness, and the incidence of local and distant metastases.  Tumorigenic MT1-MMP is effective in both its active and inactive states.   MT1-MMP protects malignant cells against the host immune surveillance thus making tumor cells resistant to the anti-tumor immunity mechanisms. Proteolytically active MT1-MMP is trafficked to centrosomes. Through the proteolysis of centrosomal proteins MT1-MMP promotes mitotic spindle aberrati
4116	1	Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview       Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are well validated protein targets for various aspects of women&#39;s health and breast cancer prevention and treatment. As an essential step in their action as regulators of gene transcription, the ERs recruit various coregulator proteins, both coactivators and corepressors, to the DNA-bound (or protein tethered) ER. These coregulators have various activities: alteration of chromatin architecture, regulation of nucleosome core histone modifications (acetylation, methylation, phosphorylation), and ac
4117	1	Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation	Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Jerry Pelletier, McGill UNIVERSITY MLSCN Grant: 1 R03 MH081216-01 Title: Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation Assay Overview The recruitment of the 40S ribosomal subunit and associated factors (43S pre-initiation complex) to the mRNA during translation initiation is highly regulated by eukaryotic initiation factor (eIF) 4F. This complex consists of three subunits: (i) eIF4E, the cap-binding protein responsible for binding of the complex to the mRNA cap structure; (ii) eIF4A, an RNA helicase thought to be required to unwind 5&#39; proximal local mRNA secondary structure to facilitate access of the 43S ribosomal complex to the mRNA template; and (iii) eIF4G, a modular scaffold that mediates mRNA binding to the
4118	1	Allosteric Modulators of D1 Receptors: Dose-dependent Counterscreen	Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). Members of the D2-like receptor family include D2, D3, and D4 dopamine receptors. Activation of D2-like dopamine receptors is often linked to inhibition of drug-stimulated cyclic AMP accumulation (Watts et al., 1999, Watts et al., 1998). The field of dopamine research greatly benefited in the latter part of the last century by the availability of dopamine D2 agonists and antagonists. Indeed, the &#39;dopamine hypothesis&#39; of schizophrenia resulted directly from the availability of D2 dopami
4119	1	Allosteric Modulators of D1 Receptors: Dose-dependent Assay	Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH077619-01 Dopamine receptors have been classified into two large families, the D1-like and the D2-like (Neve et al., 2004). Members of the D1-like receptor family include D1 and D5 dopamine receptors. Activation of D1-like receptors stimulate Gs which in turn activates adenylate cyclase resulting in enhanced cyclic AMP accumulation (Neve et al., 2004). Members of the D2-like receptor family include D2, D3, and D4 dopamine receptors. Activation of D2-like dopamine receptors is often linked to inhibition of drug-stimulated cyclic AMP accumulation (Watts et al., 1999, Watts et al., 1998). The field of dopamine research greatly benefited in the latter part of the last century by the availability of dopamine D2 agonists and antagonists. Indeed, the &#39;dopamine hypothesis&#39; of schizophrenia resulted directly from the availability of D2 dopami
4120	1	Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, University of Illinois Urbana-Champaign MLSCN Grant: 1 X01MH78953-01 Assay Overview       Estrogens, which are responsible for the growth of many breast cancers, act through the estrogen receptors, ER-alpha and ER-beta, which are ligand-modulated transcription factors and members of the nuclear receptor gene superfamily. ER-alpha and ER-beta are well validated protein targets for various aspects of women&#39;s health and breast cancer prevention and treatment. As an essential step in their action as regulators of gene transcription, the ERs recruit various coregulator proteins, both coactivators and corepressors, to the DNA-bound (or protein tethered) ER. These coregulators have various activities: alteration of chromatin architecture, regulation of nucleosome core histone modifications (acetylation, methylation, phosphorylation), and ac
4121	1	Name: High Throughput Screen to Identify Compounds that increase expression of NF-kB in Human Neuronal Cells - Dose Response	Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening Centers Network (MLSCN) Award: R03 MH082367-01, Submitted by Dr. Maurizio Grimaldi (Neuropharmacology Laboratory, Southern Research Institute) The pharmacological treatment of neurodegenerative disorders has been a disappointment when compared to the successes obtained in stroke, other neurological diseases like seizures, and in mental health diseases. It has to be said that the pathogenesis of neurodegenerative disorders and their early diagnosis represent a definite obstacle to effective intervention.  Nuclear factor kB (NF-kB) is a key cellular signaling factor in the central nervous system. Although NF-kB signaling pathways have been extensively investigated in cancer and in immunological diseases, NF-kB role in the central nervous system physiology and pathology in non inflammatory disorders of the brain is still unclear. NF-kB has
4122	1	Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, University of Michigan MLSCN Grant: R21NS057014 The Bcl-2 protein family includes anti-apoptotic proteins such as Bcl-2, Bcl-xL and Mcl-1 and pro-apoptotic proteins such as Bak, Bax, Bim, Bid and Bad. All members of the Bcl-2 protein family contain at least one conserved Bcl-2 homology (BH) domain. These domains have been demonstrated to be involved in the homo- and hetero-dimerizations among the Bcl-2 family proteins. Experimental three-dimensional structures of Bcl-2, Bcl-xL and Mcl-1 show that these proteins all have a well-defined, hydrophobic surface binding groove, known as the Bcl-2 homology domain 3 (BH3) binding groove, into which the pro-apoptotic proteins bind. Several BH3 peptides from proapoptotic proteins have been demonstrated to bind Bcl-2 family of proteins (Bcl-2, Bcl-xL, Mcl-1). Although there are several compound classes re
4123	1	Dose Response Confirmation for Small Molecule Inhibitors of Epstein-Barr Virus	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northwestern University MLSCN Grant: 1R21NS059415-01 Epstein-Barr virus (EBV), or human herpes virus 4 (HHV-4), is a member of the larger herpesvirus family that consists of three subfamilies (##, ##, ##). Epstein-Barr virus (EBV) is an extremely prevalent human herpesvirus. Disease syndromes in humans caused by EBV reflect the cell types that EBV infects, which are primarily of lymphoid or epithelial origin. Infection of both cell types is associated with a variety of proliferative disorders and cancers. Current treatments for such malignancies are traditional chemotherapy, radiation-therapy, surgery, and if possible, restoration of immune system function. Like all herpesviruses, EBV has mechanisms to evade the immune system and maintain latency in the human host. A treatment directed specifically against EBV could significantly improve patie
4124	1	Homologous Recombination_Rad51_DNA binding assay	Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, cancer, genetic diseases, and premature aging. The system of homologous recombination (HR) is responsible for repair of DSB repair in all organisms including humans. Therefore, HR acts primarily as a tumor suppressor. However, HR may also protect cancer cells against IR and ICL that are commonly used in anti-cancer therapy. In addition, HR is required for cell proliferation, the function of which is essential for tumorigenesis. Consequently, we propose to specifically inhibit HR during anti-cance
4125	1	Homologous recombination_Rad 51_dose response_2	Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, cancer, genetic diseases, and premature aging. The system of homologous recombination (HR) is responsible for repair of DSB repair in all organisms including humans. Therefore, HR acts primarily as a tumor suppressor. However, HR may also protect cancer cells against IR and ICL that are commonly used in anti-cancer therapy. In addition, HR is required for cell proliferation, the function of which is essential for tumorigenesis. Consequently, we propose to specifically inhibit HR during anti-cance
4126	1	E3 Ligase_Mutant_Dose Response	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modification of proteins in many species, including mammals. The dipeptide boronic acid bortezomib is a potent proteasome inhibitor, has selective anticancer activity in tumor cells and in mice and was recently approved for clinical use in multiple myeloma. MDM2 E3 ligase is involved in numerous types of human cancer. Selective E3 ligase inhibitors would be preferable as they would be more selective and less toxic. Inhibitors of the MDM2-UBCH5 interaction should disrupt the E3 ligase activity of M
4127	1	E3 Ligase_WT_Dose Response	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University MLSCN Grant: R03MH082369-01 The E3 ligases are involved in regulating other proteins by covalent ligation to the 76 amino acid protein ubiquitin. This post-translational modification can result in altered conformation, altered activity, or degradation of the substrate protein. Thus, E3 ligases are effectors of a major means of post-translational modification of proteins in many species, including mammals. The dipeptide boronic acid bortezomib is a potent proteasome inhibitor, has selective anticancer activity in tumor cells and in mice and was recently approved for clinical use in multiple myeloma. MDM2 E3 ligase is involved in numerous types of human cancer. Selective E3 ligase inhibitors would be preferable as they would be more selective and less toxic. Inhibitors of the MDM2-UBCH5 interaction should disrupt the E3 ligase activity of M
4128	1	Cathepsin L probe #2 dose-response testing	Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Network (MLSCN) Assay Provider: Scott Diamond, University of Pennsylvania Grant number: MH076406-01 Human liver cathepsin L (EC 3.4.22.15) is a lysosomal cysteine protease. Recent interest in cathepsin L has been generated by research showing that proteolysis by this enzyme is required for the entry and replication of the SARS and Ebola viruses in human cells. Thus cathepsin L inhibitors have potential as novel anti-viral agents. Cathepsin L inhibitors may also be active against Plasmodium falciparum, the parasite responsible for human malaria. Plasmodium contains cathepsin L-like cysteine proteases known as falcipains that appear to promote virulence of the parasite through haemoglobin digestion and erythrocyte invasion. A high-throughput screen for cathepsin L inhibitors was designed as an end-point assay monitoring the release of the fl
4129	1	SAR assay for compounds activating TNAP in the presence of 100 mM DEA performed in a luminescence assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 This TNAP dose response assay is developed and performed to confirm hits originally identified in the TNAP luminescent HTS assay (AID 1001) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally. Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organisms. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-non specific, named TNAP. TNAP deficiency is associated with defective bone mineralization in the form of rickets and osteomalacia. Therefore, t
2622	1	In Vitro Evaluation	IC50 values were determined to evaluate the inhibitory activity of the test compound on human ATR kinase.ATR/ATRIP(h) was incubated in an assay buffer containing 50 nM GST-cMyc-p53 and Mg/ATP (concentration as required). The reaction was initiated by adding a Mg/ATP mixture. After incubation for 30 min at room temperature, a stop solution containing EDTA was added to terminate the reaction. Finally, the detecting buffer containing the d2-labeled anti-GST monoclonal antibody and the europium-labeled anti-phospho Ser15 antibody against phosphorylated p53 were added. Then, the plate in time-resolved fluorescence mode was read and homogeneous time resolution was performed.The fluorescence (HTRF) signal was determined according to the formula: HTRF=HTRF=10000×(Em665 nm/Em620 nm).
2819	1	Biochemical Analysis of LSD1 Histone Demethylase Inhibitor	The biochemical inhibition activity of the synthesized compounds on LSD1 was measured. The activity measurement was performed using LSD1 fluorescence analysis kit (available from BPS Bioscience Co., Ltd., Catalog No: 50106). This analysis kit is designed to measure activity of LSD1 enzyme. H2O2 generated upon demethylation of Lys4 moiety of histone H3 by LSD1 is reacted with HRP/Amplex Red reagent to form fluorescent Resorufin, which is measured by this kit, thereby confirming demethylation.
2831	1	Rho Kinase (ROCK) and Protein Kinase A (PKA) Enzyme Inhibition Assays	The assay is briefly described below.1. Diluted enzyme, substrate, ATP, and compounds (inhibitors) in Kinase Buffer (40 mM Tris, 7.5, 20 mM MgCl2, 0.1 mg/ml BSA, 50 μM DTT).2. Added 1 μl of inhibitor, 2 μl of enzyme and 2 μl of substrate/ATP mix to the wells of 384-well low volume nonbinding assay plate A series of three-fold dilution of inhibitor was prepared and assayed for each inhibitor.3. Incubated at room temperature for 60 minutes.4. Added 5 μl of ADP-Glo™ Reagent.5. Incubated at room temperature for 60 minutes.6. Added 10 μl of Kinase Detection Reagent7. Incubated at room temperature for 30 minutes.Recorded luminescence (Integration time 1 second) using a plate-based luminometer.Calculated Percent Enzyme Activity: First subtract the signal of the negative control (no enzyme and no inhibitor) from each sample's signal. Then use the mean relative light units (RLU) values for the 0% kinase activity (neither inhibitor nor enzyme) and the 100% kinase activity (no compound) to calculate the other percent enzyme activities remaining in the presence of the different dilutions of inhibitor.Plotted percent enzyme activity and inhibitor concentration dose response curve to estimate 50% inhibitory concentration (IC50).
2838	1	TBD	TBD
2932	1	Biochemical Assay	To perform the enzymatic step, working solutions were prepared in enzymatic buffer (12.5 nM SEB, 1 mM DTT, 5 mM MgCl2, 1 mM MnCl2). The reaction was carried out in a 384-well plate with 2.5 μL inhibitor or enzymatic buffer, 2.5 μL recombinant human protein (CSF-1R, c-Kit, PDGFRβ and FLT3) and 5 μL substrate/ATP mixture at room temperature for 1 hour. After addition of detection mixture (5 μl Sa-XL 665 and 5 μl TK-antibody-Cryptate), the plate is sealed and incubated at room temperature for 1 hour. Detection was performed with Spark reader (Tecan) using standard HTRF protocol settings. IC50 determinations were performed using GraphPad Prism software (GraphPad, Inc.). The selectivity fold was determined by the IC50 of other kinases (cKit, FLT3, PDGFR-1β) and a multiple of the IC50 of CSF-1R.
4132	1	Rml C and D dose-response confirmation	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State University, Fort Collins, CO MLSCN Grant: DA024889-01 This screen is for compounds that have the potential to be developed into new drugs against tuberculosis (TB) because they inhibit the enzymes required for the formation of the cell wall of the tuberculosis bacterium. New drugs are needed because the rate of cure with the present drugs is very slow, and prevalence of Mycobacterium tuberculosis resistance to present drugs is increasing. Recently, an increase in co-infection of HIV and M. tuberculosis has occurred, and treatment with present drugs results in harmful HIV/TB drug interactions.  To identify potential anti-TB agents, we focused on two enzymes that act sequentially in the formation of dTDP-rhamnose (dTDP-Rha), a biosynthetic precursor required for TB cell wall formation and found to be essential for the growth of M. smegmatis and M
4133	1	Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2	Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Grant Title: Identification of Novel Modulators of Cl- dependent Transport Process via HTS Grant Number: R21NS053658-01 Cation-chloride cotransporters such as K-Cl cotransport and Na-K-2Cl cotransport play major roles in a variety of physiological settings, including the modulation of GABAergic synaptic transmission. For instance, KCC2, a neuronal-specific K-Cl cotransporter is up-regulated in the brain during postnatal development, and is responsible for lowering the intracellular Cl- concentration in neurons, thus promoting GABA inhibition. Reduction in KCC2 expression results in brain hyperexcitability, as demonstrated by animal models. Furthermore, KCC2 expression is decreased in brain tissue isolated from epileptic patients. There are very few pharmacological agents that affect K-Cl cotransporters. First, there are no specific inhibi
4135	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4136	1	Fluorescent assay for identification of compounds that inhibit VHR1	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4137	1	Dose Response Confirmation Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant	University of New Mexico Assay Overview: Assay Support:  1R03MH084830-01    Project Title:  TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction   PI: Kazuhiro Nakamura, Ph.D Center PI:  Larry Sklar, Ph.D Assay Implementatiion:  Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at least 20 human PB1 domain-containing proteins. Different PB1 domains contribute to the formation of specific protein complexes critical for biological responses including proliferation, apoptosis, cell polarity, and angiogenesis. These proteins include the mitogen/extracellular signal regulated kinase kinases MEKK2 and MEKK3 (MAP3Ks), as well as the downstream regulated kinase MEK5 (a MAP2K), which solely govern the ERK5 MAPK pathway involved in angiogenesis, cell growth and inhibition of apo
4138	1	Dose Response Confirmation via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Wildtype	University of New Mexico Assay Overview: Assay Support:  1R03MH084830-01    Project Title:  TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction   PI: Kazuhiro Nakamura, Ph.D Center PI:  Larry Sklar, Ph.D Assay Implementatiion:  Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at least 20 human PB1 domain-containing proteins. Different PB1 domains contribute to the formation of specific protein complexes critical for biological responses including proliferation, apoptosis, cell polarity, and angiogenesis. These proteins include the mitogen/extracellular signal regulated kinase kinases MEKK2 and MEKK3 (MAP3Ks), as well as the downstream regulated kinase MEK5 (a MAP2K), which solely govern the ERK5 MAPK pathway involved in angiogenesis, cell growth and inhibition of apo
4139	1	Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2NITRO_INH_EPIABS_1536_3XIC50 Name: Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase Description:  The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents which inhibit the transpeptidase involved in cell
4140	1	Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP1NITRO_INH_EPIABS_1536_3XIC50 Name: Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents which
4141	1	FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM2CCF2_INH_FRET_1536_3XIC50 Name: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents which inhibit the transpeptidas
4142	1	FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP1CCF2_INH_FRET_1536_3X%IC50 Name: FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents which inhibit the
4143	1	Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of Mex-5 Binding to TCR-2	Broad Institute: MLPCN maternal gene expression   Project ID: 2024   Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development   Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu   Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally supplied RNA-binding proteins is crucial to early patterning events. Few tools exist to study specific regulatory networks guided by RNA-binding proteins during early development. Importantly, standard genetic analyses are complicated by the maternal effect, pleiotropy, and embryonic lethality. This screen aims to identify small molecule inhibitors of RNA-binding protein function for two proteins required for Caenorhabditis elegans early development. The rationale was two fold. First, inhib
4144	1	Fluorescent Polarization Homogeneous Dose Response HTS to Indentify Inhibitors of POS-1 Binding to mex-3-RNA	Broad Institute: MLPCN maternal gene expression   Project ID: 2024   Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interaction, gene regulation, MEX-5, POS-1, embryonic development   Primary Collaborators: Sean Ryder, U. Mass Medical School, sean.ryder@umassmed.edu   Project Overview: In most organisms, the body axes and founding tissue types are formed prior to the onset of zygotic transcription. Thus, post-transcriptional regulation of maternal transcripts by maternally supplied RNA-binding proteins is crucial to early patterning events. Few tools exist to study specific regulatory networks guided by RNA-binding proteins during early development. Importantly, standard genetic analyses are complicated by the maternal effect, pleiotropy, and embryonic lethality. This screen aims to identify small molecule inhibitors of RNA-binding protein function for two proteins required for Caenorhabditis elegans early development. The rationale was two fold. First, inhib
4145	1	Pin1 Inhibition Assay	Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.
4146	1	Inhibition Activity Assay	Inhibition activity and selectivity for UCH-L1 and UCH-L3.
4147	1	MKP-3 in vitro HTS assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH076390-01 Assay Provider: Dr. John Lazo, University of Pittsburg MKP-3 (mitogen-activated protein kinase phosphatase-3; EC 3.1.3.48, EC 3.1.3.16), a dual specificity phosphatase negatively regulates ERK1/2 by catalyzing the removal of a phosphoryl group from Thr(P) and Tyr(P) in the activation loop consensus motif -pTXpY. MKP-3 screening was performed using a biochemical assay developed at the laboratory of Prof. John Lazo (University of Pittsburg). The assay was optimized and run at the Sanford-Burnham Center for Chemical Genomics (SBCCG) as part of the Molecular Library Screening Center Network (MLSCN).  Enzyme activity and its inhibition by screened compounds was measured in an end-point assay based on hydrolysis of 3-O-methylfluorescein phosphate
4148	1	HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Target	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies. This colorim
4149	1	High Throughput Screening Assay for Hsc70 Inhibitors	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Over-expression of molecular chaperones occurs commonly in cancers and provides protection from a wide variety of cellular stresses, both endogenous and iatrogenic. Molecular chaperones also play important roles in maintaining the activity of several signal-transducing proteins and transcriptions factors involved in malignant transformation. The human genome contains nine Hsp70-family genes.  These chaperones include Hsp70 and Hsc70, which are commonly over-expressed in cancers and which confer resistance to myriad cellular stresses, including cytotoxic chemotherapy.  This work&apos;s aim is to identify chemical probes of Hsc70 through a fluorescence polarization assay (FPA) using Fluorescein-labeled ATP. Hsc70 screening was performed at the Sanford-Burnham Center for Chemical Genomics (SBCCG) as part of the Molecular
4150	1	Dose-Response of Allosteric Antagonists for the VLA-4 Integrin	Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview: This is a high throughput flow cytometry cell-based assay to measure dose response of small molecules# allosteric inhibition of integrin alpha-4-beta-1 heterodimer very late antigen (VLA-4). Inhibition of VLA-4 activation affects the affinity and conformation of integrins. Affinity states have been directly evaluated by a peptide ligand derived from the LDV sequence of a native ligand binding region for VLA-4. These dose response assessments report IC50.
4151	1	HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: R03 MH082386-01 Assay Provider: Dr. Hudson H. Freeze, Sanford-Burnham Medical Research Institute, San Diego, CA Congenital Disorders of Glycosylation (CDG) are autosomal recessive defects in the synthesis of N-linked oligosaccharide chains. CDG group I (CDG-I) defects are defined as those caused by mutations in genes encoding enzymes used for the synthesis and transfer of lipid linked oligosaccharide (LLO) to newly synthesized proteins in the lumen of the ER. The steps in this pathway and the genes encoding them are very similar from yeast to human. It requires 30-40 single gene products, each dependent on the previous step in the linear sequence to produce and transfer the LLO to protein. Therefore, mutations in any step may cause a type of CDG. There is
4152	1	Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP)	Southern Research Molecular Libraries Screening Center (SRMLSC)  Southern Research Institute (Birmingham, Alabama)  NIH Molecular Libraries Screening Centers Network (MLSCN)  Assay Provider: Dr. Donald Gardiner, Queensland Institute of Medical Research  Grant: 1-R03-MH082342-01A1 The intraerythrocytic stages of the human malaria parasite Plasmodium falciparum employs two cytosolic neutral aminopeptidases, an M1-family alanyl aminopeptidase (M1AAP) and an M17-family leucine aminopeptidase (M17LAP), in the terminal stages of host hemoglobin digestion. Their action results in the release of free amino acids that are used for the anabolism of parasite proteins and, hence, are critical to the development of the parasite in red blood cells. Inhibitors of the two exopeptidases prevent the growth of P. falciparum parasites in vitro, and protect mice from infection with rodent malaria P. chabaudi, providing strong evidence that these enzymes are targets which can be used to develop new anti-ma
4153	1	uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory dis
4154	1	Oxadiazole SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Chemistry:  University of Kansas Specialized Chemistry Center Target Team Leader for Chemistry: Jennifer Golden Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Tekai et al. 2001; Wennerberg et al. 2005]. The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal r
4155	1	AlphaScreen confirmatory assay for validation of inhibitors of SUMOylation	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in many functions including gene transcription, cell cycle progression, DNA repair, viral infection, and the development of neurodegenerative diseases (1, 2). Recent proteomic studies have found that approximately 10% of the proteins encoded by the yeast genome are substrates for SUMO modification (3-5). The mechanism of how SUMOylation is involved in these cellular functions remains largely unclear. The inhibitors of SUMOylation would be useful to probe the roles of SUMOylation in cellular regulat
4156	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype protein	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell prol
4157	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype protein	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell prol
4158	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4159	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4160	1	Additional SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4161	1	Additional SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4162	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4163	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4164	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4165	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4166	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4167	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4168	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4169	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4170	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4171	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4172	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4173	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4174	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4175	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4176	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4177	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4178	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4179	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4180	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4181	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab7 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4182	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4183	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4184	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4186	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4188	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4189	1	Additional SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4190	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell prol
4191	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell prol
4192	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4193	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4194	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4195	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4196	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4197	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4198	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4199	1	Oxadiazole SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4200	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4201	1	Pyrazoline SAR compounds tested via Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac1 wildtype	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) UNM Cheminformatics: Cristian Bologa, Ph.D., Fabiola Miscioscia, Ph.D., Ramona Curpan, Ph.D., Oleg Ursu, Ph.D. Chemistry:  University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. KU SCC Chemists on this project: Chad Schroeder, M.S., Denise Simpson, Ph.D., Julica Noeth, B.S. Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proli
4202	1	MOA HePTP Fluorescent secondary assay for identification of redox-state modulating compounds	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  In this a
4203	1	MOA VHR1 Fluorescent secondary assay for identification of redox-state modulating compounds	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4204	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-2	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D, Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studie
4205	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-B	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4206	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bfl-1	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4207	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-W	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4208	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-XL	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4209	1	Confirmation dose response of hits from multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Mcl-1	University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01    HTS to identify small molecule regulators of Bcl-2 family protein interactions  PI: Larry Sklar, Ph.D. Assay Implementatiion:  Peter Simons Ph.D, Susan Young MS, Anna Waller Ph.D,  Mark Carter MS Dose Response Assay Background and Significance: One arm of apoptosis is regulated by the balance of anti-apoptotic and pro-apoptotic Bcl-2 family members. In humans, six genes have been identified that encode anti-apoptotic proteins characterized by the presence of conserved motifs designated as three Bcl-2 homology (BH) regions, BH1, BH2, and BH3 [Reed, et al. 2004]. These domains form a hydrophobic cleft in tertiary structure. Pro-apoptotic family members contain BH3 regions that form an amphipathic helix, and these helices bind in the clefts of the anti-apoptotic proteins. Overexpression of pro-apoptotic BH3 peptides has been shown to increase apoptosis of leukemia cells using in vitro and animal model studi
4210	1	uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the primary standard of care for the treatment of chronic pain.  Unfortunately, patients develop tolerance to opiates due to desensitization of the opiate receptor.  Thus, alternative anti-nociceptive ("pain killing") pathways need to be explored for treatment of chronic pain.  The N-type voltage-gated Ca2+ channels (CaV2.2s) in dorsal root ganglia neurons is a well validated target for chronic pain (1, 2). We previously demonstrated the interaction between CaV2.2 and the first PDZ domain of mo
4211	1	LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate
4212	1	HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of protein proteolysis plays a key role in normal cellular function. The E3 ubiquitin ligase, Siah-1, facilitates the transfer of ubiquitin to its substrate proteins destined for degradation by way of its RING domain. Siah-1 is a member of a family of highly conserved RING domain proteins, which regulate a variety of cellular functions, including cell cycle arrest, tumor suppression, and apoptosis through the beta-catenin degradation pathway. Siah-1 has also been identified as a p53-inducible gene,
4213	1	HTS Image-Based Screen for Selective Agonists of the KOR Receptor	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to a
4214	1	HTS HePTP Fluorescent Assay using OMFP substrate for In Vitro dose response studies	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  This bioc
4215	1	SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro dose response studies	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of thi
4216	1	HTS Image-Based Screen for Selective Antagonists of the KOR Receptor	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to a
4217	1	Absorbance Microorganism-Based Dose Response Followup to Identify Inhibitors of Streptokinase Expression	Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50   Assay Overview:   The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth.  Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows.  GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with test compounds in Todd-Hewitt Broth medium supplemented with 100 ug/ml of streptomycin for 6 hours before cells were pelleted.  Supernatant of cells was removed and tested for SK activity by measuring activation of plasminogen in an absorbance-based assay as described in the Protocol section.  Cell pellets were assayed for viability by BacTiterGlo reagent (Promega G8233).  Normalized SK activity values were generated by dividing values of SK activity by the values of viability reading, and used
4218	1	SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate
4219	1	HTS  TR-FRET-based  dose response confirmatory assay for Siah-1	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of protein proteolysis plays a key role in normal cellular function. The E3 ubiquitin ligase, Siah-1, facilitates the transfer of ubiquitin to its substrate proteins destined for degradation by way of its RING domain. Siah-1 is a member of a family of highly conserved RING domain proteins, which regulate a variety of cellular functions, including cell cycle arrest, tumor suppression, and apoptosis through the beta-catenin degradation pathway. Siah-1 has also been identified as a p53-inducible gene,
4220	1	SAR Compounds tested by Dose Response Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 3 Wildtype.	University of New Mexico Assay Overview: Assay Support:  1R03MH084830-01    Project Title:  TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction   PI: Kazuhiro Nakamura, Ph.D Center PI:  Larry Sklar, Ph.D Assay Implementatiion:  Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at least 20 human PB1 domain-containing proteins. Different PB1 domains contribute to the formation of specific protein complexes critical for biological responses including proliferation, apoptosis, cell polarity, and angiogenesis. These proteins include the mitogen/extracellular signal regulated kinase kinases MEKK2 and MEKK3 (MAP3Ks), as well as the downstream regulated kinase MEK5 (a MAP2K), which solely govern the ERK5 MAPK pathway involved in angiogenesis, cell growth and inhibition of apo
4221	1	Dose Response of SAR compounds via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Wildtype	University of New Mexico Assay Overview: Assay Support:  1R03MH084830-01    Project Title:  TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction   PI: Kazuhiro Nakamura, Ph.D Center PI:  Larry Sklar, Ph.D Assay Implementatiion:  Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at least 20 human PB1 domain-containing proteins. Different PB1 domains contribute to the formation of specific protein complexes critical for biological responses including proliferation, apoptosis, cell polarity, and angiogenesis. These proteins include the mitogen/extracellular signal regulated kinase kinases MEKK2 and MEKK3 (MAP3Ks), as well as the downstream regulated kinase MEK5 (a MAP2K), which solely govern the ERK5 MAPK pathway involved in angiogenesis, cell growth and inhibition of apo
4222	1	SAR Compounds tested by Dose Response Screen via Multiplex HTS Assay for Inhibitors of MEK Kinase PB1 Domains, specifically MEK5 binding to MEK Kinase 2 Mutant.	University of New Mexico Assay Overview: Assay Support:  1R03MH084830-01    Project Title:  TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain Interaction   PI: Kazuhiro Nakamura, Ph.D Center PI:  Larry Sklar, Ph.D Assay Implementatiion:  Zurab Surviladze Ph.D, Mark Haynes Ph.D, Anna Waller Ph.D, Mark Carter MS Assay Background and Significance: PB1 (Phox/Bem1p) domains function as protein-protein interaction sites by forming PB1-PB1 domain heterodimers (Moscat, et al. 2006). There are at least 20 human PB1 domain-containing proteins. Different PB1 domains contribute to the formation of specific protein complexes critical for biological responses including proliferation, apoptosis, cell polarity, and angiogenesis. These proteins include the mitogen/extracellular signal regulated kinase kinases MEKK2 and MEKK3 (MAP3Ks), as well as the downstream regulated kinase MEK5 (a MAP2K), which solely govern the ERK5 MAPK pathway involved in angiogenesis, cell growth and inhibition of apo
4223	1	TR-FRET-based biochemical high-throughput dose response assay to identify inhibitors of Hepatitis C Virus (HCV) core protein dimerization.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: A.D. Strosberg, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-X01-MH085709-01 Grant Proposal PI: A.D. Strosberg, TSRI External Assay ID: HCVCORE_INH_HTRF_1536_3XIC50 Name: TR-FRET-based biochemical high-throughput dose response assay to identify inhibitors of Hepatitis C Virus (HCV) core protein dimerization. Description: The Hepatitis C Virus (HCV) is a major cause of liver failure and hepatocellular cancer, with about 170 million people infected worldwide (1). The HCV has a small RNA genome that is directly translated by the infected host cell into a single precursor polyprotein that is processed by enzymatic cleavage into 10 proteins of diverse function. The most N-terminal 21kDa protein of this HCV polyprotein is the HCV core (C) protein, which is a highly basic, RNA-binding st
4224	1	Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of tRNA 2&#39;-phosphotransferase (TPT1).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: TPT1_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of tRNA 2&#39;-phosphotransferase (TPT1). Description: The process of transcription converts the DNA sequences found in genes into mRNA (1, 2). This process is coupled to the subsequent removal of mRNA introns by splicing, which additionally serves to increase proteome complexity (3, 4). Intron splicing also occurs for transfer RNA (tRNA), which functions in the delivery of amino acids to the growing peptide chain as directed by
4225	1	Counterscreen for inhibitors of tRNA 2&#39;-phosphotransferase (TPT1): fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of RNAse T1.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Heather Harding, New York University School of Medicine Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026554-01 Grant Proposal PI: Heather Harding, New York University School of Medicine External Assay ID: RNASETI _INH_FP_1536_3XIC50 Name: Counterscreen for inhibitors of tRNA 2&#39;-phosphotransferase (TPT1): fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of RNAse T1. Description: The process of transcription converts the DNA sequences found in genes into mRNA (1, 2). This process is coupled to the subsequent removal of mRNA introns by splicing, which additionally serves to increase proteome complexity (3, 4). Intron splicing also occurs for transfer RNA (tRNA), which functions in the delivery of amino acid
4226	1	Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: David Frick, New York Medical College Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085690-01 Grant Proposal PI: David Frick, New York Medical College External Assay ID: NS3DNA_INH_FLINT_1536_3XIC50 Name: Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). Description: The flavivirus Hepatitis C virus (HCV) is a major cause of liver failure and hepatocellular cancer, with about 170 million people infected worldwide (1). The HCV has a small RNA genome that is directly translated by the infected host cell into a single precursor polyprotein that is processed by enzymatic cleavage into 10 proteins of diverse function. The non-structural proteins include p7, NS2, NS3, NS4
4227	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR8	Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.
4228	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR7	Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.
4229	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR4	Assay Provider: Colleen Niswender Assay Provider Affiliation:  Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). Fo
4230	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Rat PAM Potency	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). For
4231	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: Fold-shift Assay	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
4232	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR2	Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.
4233	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR3	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological  change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). Fo
4234	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR6	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). For
4235	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: [3H]N-methylscopolamine Competition	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
4236	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: [3H]N-methylscopolamine Competition	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
4237	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR1	Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David Weaver Chemistry Center Name & PI: Vanderbilt Specialized Chemistry Center for Accelerated Probe Development, Craig W. Lindsley Assay Submitter & Institution: Colleen M. Niswender, Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.
4238	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: [3H]N-methylscopolamine Competition with Acetylcholine	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
4239	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: [3H]N-methylscopolamine Competition with Acetylcholine	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
4240	1	QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: PFM18AAP_INH_QFRET_1536_3XIC50 Name: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). Description: Aminopeptidases (APs) are metalloproteases that cleave amino-terminal (N-terminal) amino acids during protein synthesis (1, 2) These enzymes are characterized in part by their post-translational removal of leucine, aspartate, proline, methionine, etc from proteins and peptides, in order that proteins are properly regulated, targete
4241	1	QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_QFRET_1536_3XIC50 Name: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). Description: Aminopeptidases (APs) are metalloproteases that cleave amino-terminal (N-terminal) amino acids during protein synthesis (1, 2) . These enzymes are characterized in part by their post-translational removal of leucine, aspartate, proline, methionine, etc from proteins and peptides, in order that proteins are properly regulat
4242	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Potency at human mGluR4	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). For
4243	1	Modulation of the Metabotropic Glutamate Receptor mGluR4: Selectivity at mGluR5	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms of Parkinson&#39;s disease (PD) is a loss of the dopaminergic neurons in the substantia nigra pars compacta (SNc) that are involved in modulating the function of basal ganglia (BG) nuclei. Unfortunately, traditional therapies for treatment of PD based on dopamine replacement strategies eventually fail in most patients and are associated with numerous side effects. A great deal of effort has been focused on developing a detailed understanding of the circuitry and function of the BG to develop novel, nondopaminergic, approaches for restoring normal BG function in PD patients.  Exciting advances suggest that metabotropic glutamate receptors (mGluRs), including the group III mGluRs (mGluR4, -7 and -8), play important roles in regulating transmission through the BG and could serve as targets for novel PD therapeutics (Conn et al., 2005). For
4244	1	Dose Response Confirmation for small molecular inhibitors for p47phox, a regulatory protein of NADPH oxidases (Noxs)	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory University MLSCN Grant: MH083234-01 Oxidative stress (the excess production of cellular oxidizing substances) is a central component in many diseases. Reactive oxygen species (ROS) produce oxidative stress that plays a central role in inflammation in general, and in the tissue damage and abnormal cell growth and fibrosis associated with many diseases. ROS-associated diseases often represent chronic conditions, and are frequently associated with tissue damage, fibrosis, and in some cases probable genetic damage. Numerous examples of ROS-associated diseases have been identified, and include diseases and pathologies of the cardiovascular system, nervous system, endocrine system, respiratory system, excretory system, and others. Nox enzymes provide most of the ROS in these conditions. Noxs, particularly Nox2 and Nox1, confer the major source of oxi
4245	1	Kallikrein 5 1536 HTS Dose Response Confirmation	Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider:  Scott L. Diamond, University of Pennsylvania MLSCN Grant:  X01-MH076406-01 Target Human kallikrein 5 (hK5) is a member of the human tissue kallikrein family, which contains 15 kallikrein-like serine proteases (1).  It is synthesized as a 293 amino acid zymogen, and loses a 29 amino acid signal peptide upon secretion, followed by cleavage at the Arg66-Ile67 bond, which releases a 37 amino acid activation peptide, resulting in a 237 amino acid mature enzyme (2).  hK5 generally exhibits a trypsin-like specificity for P1-Arg over P1-Lys residues, and has been observed to digest different extracellular matrix and plasma proteins (3, 4).  Protein inhibitors include alpha2-antiplasmin, antithrombin III and alpha2-macroglobulin (4).  In addition, Zn2+ and other divalent cations strongly inhibit hK5 (5).   hK5 is highly expressed in skin tissue, specifically the outermost layer of
4246	1	Homologous Recombination - Rad 51_Dose response	Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitter Institution: Drexel University Screening Center Name: Penn Center for Molecular Discovery (PCMD) Principal Investigator of Screening Center: Scott Diamond Ionizing radiation (IR) and inter-strand cross-linking agents (ICL) induce DNA double-stranded breaks (DSB). DSB are the most harmful type of DNA damage, which cause genome instability, cancer, genetic diseases, and premature aging. The system of homologous recombination (HR) is responsible for repair of DSB repair in all organisms including humans. Therefore, HR acts primarily as a tumor suppressor. However, HR may also protect cancer cells against IR and ICL that are commonly used in anti-cancer therapy. In addition, HR is required for cell proliferation, the function of which is essential for tumorigenesis. Consequently, we propose to specifically inhibit HR during anti-cance
4247	1	Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression	Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50   Assay Overview:   The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth.  Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows.  GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with test compounds in Todd-Hewitt Broth medium supplemented with 100 ug/ml of streptomycin for 6 hours before cells were pelleted.  Supernatant of cells was removed and tested for SK activity by measuring activation of plasminogen in an absorbance-based assay as described in the Protocol section.  Cell pellets were assayed for viability by BacTiterGlo reagent (Promega G8233).  Normalized SK activity values were generated by dividing values of SK activity by the values of viability reading, and used
4248	1	Oxadiazole SAR compounds tested by Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Cdc42 activated mutant	University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01  HTS to identify specific small molecule inhibitors of Ras and Ras-related GTPases PI: Angela Wandinger-Ness, Ph.D. Co-PI: Larry Sklar, Ph.D. Assay Development: Zurab Surviladze, Ph.D. Assay Implementation: Zurab Surviladze, Danuta Wlodek, Terry Foutz, Mark Carter, Anna Waller Target Team Leader for the Center: Larry Sklar (lsklar@salud.unm.edu) Chemistry:  University of Kansas Specialized Chemistry Center Target Team Leader for Chemistry: Jennifer Golden Dose Response Assay Background and Significance: Ras and related small molecular weight GTPases function in the regulation of signaling and cell growth, and collectively serve to control cell proliferation, differentiation and apoptosis [Tekai et al. 2001; Wennerberg et al. 2005]. The Ras-related GTPases are divided into four subfamilies with the Rab proteins regulating membrane transport, Rho proteins (including Rac and Cdc 42) regulating cytoskeletal r
4249	1	Identification of SV40 T antigen inhibitors: Cytotoxicity screen of selected hits	Southern Research&#39;s Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Award: R03MH084077-01 Cytoxicity Assay Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruses, JC and BK virus, which infect humans, and result in morbidity and mortality in immuno-compromised patients. Although it is controversial whether SV40 also causes disease in humans, the virus has been found in specific tumors but not in the surrounding tissue. Unlike BKV and JCV, SV40 grows relatively well in mammalian cell culture systems; moreover, ~10% of the population examined in one study has antibodies against SV40, probably because the first polio vaccines were contaminated with
4250	1	Inhibition Assay	The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on folate concentration at various concentration.
4251	1	Kinase Inhibition Assay	In vitro kinase inhibition assay.
4252	1	Steady-State Inhibition Assay	All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.
4253	1	In Vitro Kinase Assay	In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.
4254	1	Inhibition Assay 	Inhibition of factor VIII C2 domain.
4254	2	Inhibition Assay 	Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).
4254	3	Inhibition Assay 	Inhibition of factor X activation assay.  A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibiton of the cofactor function of factor VIII.
4255	1	Inhibition Assay	Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). 
4256	1	Fluorescence spectroscopy	Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.
4257	1	TG Inhibition Assay	Recombinant of human TG2 was expressed in E.coli and purified to >90% homogeneity.
4258	1	In Vitro Kinase Assay of Tau Phosphorylation	Cdk5, 33P-ATP and cofactors were added in the presence of tau protein.  The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to tau.
4259	1	Binding Assay	Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell.  
4259	2	Binding Assay	Binding affinity of ligand at human adenosine receptors expressed in CHO cell.  
4260	1	Competitive Assay	The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been established.
4260	2	Zhang-Poorman Assay	A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.
4261	1	Tubulin Polymerization 	Tubulin polymerization was followed turbidimetrically at 350nm in Beckman model DU-7400 and DU-7500 spectrophotometers equipped with electric temperature controllers.
4261	2	Cell Proliferation Assay 	IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B (SRB) assay.
4262	1	In Vitro Kinase Assay	Inhibition of in vitro kinase activity of purified CDKs.
4262	3	Cell Proliferation Assay	Inhibition of HCT116 cell proliferation after 72hr of incubation with compounds was determined by SRB Assay.
4262	2	Inhibition Assay	In vitro kinase activity of PEGylated pyrazolopyrimidone CDK inhibitor or a 5 PEG-amine was coupled to ReactiGel agarose beads (Pierce, No. 20259).
4262	4	Cell Proliferation Assay	Inhibition of HCT116 cell proliferation with compounds using calcein AM Assay.
4263	1	In Vitro Inhibition	In vitro inhibition assay using human recombinant CDK2 and human recombinant cyclin A2.
4264	1	Inhibition Assay	Inhibition assay against SARS-CoV 3CL protease, a fluorometric assay was utilized to determine the inhibition constants of the samples.
4265	1	Enzymatic Assay	CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).
4266	1	Luminescent assay for HTS discovery of chemical activators of placental alkaline phosphatase	Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screening Centers Network (MLSCN) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified: three isozymes are tissue-specific and the fourth one is tissue-nonspecific. Placental alkaline phosphatase (PLAP) is highly expressed in primate placental tissue. Its biological function is unknown. Identification of PLAP-specific inhibitors should provide necessary tools for characterization of its biological role. PLAP screening was developed and performed at the Sanford-Burnham Center for Chemical Genomics (SBCCG) as part of the Molecular Library Screening Center Network (MLSCN). This assay represents a selectivity screening for tissue nonspecific alkaline phosphatase (TNAP) screened at BCC
4267	1	uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: 1R03 MH082385-01 Alkaline phosphatases (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing phosphate and alcohol. APs are dimeric enzymes found in the most organisms. In human, four isozymes of APs have been identified. Three isozymes are tissue-specific and the fourth one is tissue-non specific, named TNAP. TNAP deficiency is associated with defective bone mineralization in the form of rickets and osteomalacia. Therefore, there is therapeutic potential of modulating TNAP activity.  The goal of this HTS is to identify novel and specific activators of TNAP. The only known to date class of alkaline phosphatases activators are amino-containing alcohols, such as diethanolamine (DEA), that act as phosphoacceptor substrate and exh
4268	1	Chemical Antagonists IAP-family anti-apoptotic proteins	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibitor of Apoptosis Proteins (IAPs), a family of evolutionarily conserved anti-apoptotic proteins. Proteins released from mitochondria (SMAC and HtrA2) can competitively displace IAPs from the Caspases, thus helping to drive apoptosis. It has been shown that only a few residues at the N-terminus of activated SMAC protein (4-mer) are sufficient to affect the release of IAPs from Caspases. Thus, it is plausib
4269	1	uHTS luminescence assay for the identification of compounds that inhibit NOD1	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA  The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory disor
4270	1	Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP)	Southern Research Molecular Libraries Screening Center (SRMLSC)  Southern Research Institute (Birmingham, Alabama)  NIH Molecular Libraries Screening Centers Network (MLSCN)  Assay Provider: Dr. Donald Gardiner, Queensland Institute of Medical Research  Award: 1-R03-MH082342-01A1 The intraerythrocytic stages of the human malaria parasite Plasmodium falciparum employs two cytosolic neutral aminopeptidases, an M1-family alanyl aminopeptidase (M1AAP) and an M17-family leucine aminopeptidase (M17LAP), in the terminal stages of host hemoglobin digestion. Their action results in the release of free amino acids that are used for the anabolism of parasite proteins and, hence, are critical to the development of the parasite in red blood cells. Inhibitors of the two exopeptidases prevent the growth of P. falciparum parasites in vitro, and protect mice from infection with rodent malaria P. chabaudi, providing strong evidence that these enzymes are targets which can be used to develop new anti-ma
4271	1	uHTS absorbance assay for the identification of compounds that inhibit VHR1.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4272	1	uHTS identification of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addictiv
4273	1	uHTS identification of small molecule inhibitors of LYP via a fluorescence intensity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, San Diego Institute for Allergy and Immunology CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&apos;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of this project is to f
4274	1	uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 R03 MH086475-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Proteasomal degradation typically requires post-translational modification of target proteins with K48-linked polyubiquitin chains. This process of protein proteolysis plays a key role in normal cellular function. The E3 ubiquitin ligase, Siah-1, facilitates the transfer of ubiquitin to its substrate proteins destined for degradation by way of its RING domain. Siah-1 is a member of a family of highly conserved RING domain proteins, which regulate a variety of cellular functions, including cell cycle arrest, tumor suppression, and apoptosis through the beta-catenin degradation pathway. Siah-1 has also been identified as a p53-inducible gene, functi
4275	1	Identification of SV40 T antigen inhibitors: A route to novel anti-viral reagents	A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Research&apos;s Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Grant number: 1R03MH084077-01  Assay Rationale and Summary: The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruses, JC and BK virus, which infect humans, and result in morbidity and mortality in immuno-compromised patients. Although it is controversial whether SV40 also causes disease in humans, the virus has been found in specific tumors but not in the surrounding tissue. Unlike BKV and JCV, SV40 grows relatively well in mammalian cell culture systems; moreover, ~10% of the p
4276	1	Image-based HTS for Selective Agonists of GPR55	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01  Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute (currently Temple University) The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction disorders.  GPR55, an orphan G-Protein Coupled Receptor, has been reported to be a cannabinoid receptor, but its status as such remains unresolved due to conflicting results from pharmacological studies.  The goal of the project is to identify small molecule agonists of GPR55, which may aid in the deorphanization efforts of this receptor and ultimately further the understanding of the role of GPR55 in drug addiction. This high content imaging assay utilizes a cell line permanently expressing a
4277	1	uHTS HTRF assay for identification of inhibitors of SUMOylation	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084862-01 Assay Provider: Dr. Yuan Chen, Beckman Research Institute, City Of Hope, CA Protein modification by the SUMO (Small Ubiquitin-like MOdifier) family of proteins is an important post-translational modification that plays an essential role in many functions including gene transcription, cell cycle progression, DNA repair, viral infection, and the development of neurodegenerative diseases (1, 2). Recent proteomic studies have found that approximately 10% of the proteins encoded by the yeast genome are substrates for SUMO modification (3-5). The mechanism of how SUMOylation is involved in these cellular functions remains largely unclear. The inhibitors of SUMOylation would be useful to probe the roles of SUMOylation in cellular regulati
4278	1	uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (eIF4H)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiation phase of translation is a key target for regulation when cells are exposed to various environmental cues (e.g. insulin, amino acid starvation, mitogenic stimulation, hypoxia, etc). As well, translation initiation control is usurped upon viral infection and is deregulated in many human cancers. Over-expression of certain translation factors can lead to malignant transformation and many of the components of the translational apparatus are over-expressed in human cancers. Several tumor suppresso
4279	1	Image-Based HTS for Selective Antagonists for GPR55	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01 DA026205-01  Assay Provider: Dr. Mary Abood, California Pacific Medical Center Research Institute The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction disorders.  GPR55, an orphan G-Protein Coupled Receptor, has been reported to be a cannabinoid receptor, but its status as such remains unresolved due to conflicting results from pharmacological studies.  The goal of this project is to identify small molecule antagonists of GPR55, which may aid in the deorphanization efforts of this receptor and ultimately further the understanding of the role of GPR55 in drug addiction. This high content imaging assay utilizes a cell line permanently expressing a beta-arrestin GFP biosens
4280	1	uHTS fluorescence polarization assay for the identification of translation initiation inhibitors (PABP)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiation phase of translation is a key target for regulation when cells are exposed to various environmental cues (e.g. insulin, amino acid starvation, mitogenic stimulation, hypoxia, etc). As well, translation initiation control is usurped upon viral infection and is deregulated in many human cancers. Over-expression of certain translation factors can lead to malignant transformation and many of the components of the translational apparatus are over-expressed in human cancers. Several tumor suppresso
4281	1	Image-Based HTS for Selective Antagonists of GPR35	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior.  GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.  The goal of this project is to identify small molecule antagonists of GPR35, which may aid in characterization of this receptor and ultimately further the understanding of the role of GPR35 in addictive behavior. This high content imaging assay utilizes a cell line permanently expressing a beta-arrestin GFP biosensor and th
4282	1	Homogeneous Time-Resolved Fluorescence Resonance Energy Transfer (HTRF) Assay	Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the primary standard of care for the treatment of chronic pain.  Unfortunately, patients develop tolerance to opiates due to desensitization of the opiate receptor.  Thus, alternative anti-nociceptive (&quot;pain killing&quot;) pathways need to be explored for treatment of chronic pain.  The N-type voltage-gated Ca2+ channels (CaV2.2s) in dorsal root ganglia neurons is a well validated target for chronic pain (1, 2). We previously demonstrated the interaction between CaV2.2 and the first PDZ domain of molecular
4283	1	Discovery of Novel Allosteric Modulators of the Muscarinic Receptor M5: Calcium Flux Assay	Assay Provider:  P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of five distinct mammalian subtypes (mAChR1-5 or M1-M5), which are expressed differentially throughout the body and play an important role in a variety of physiological processes.  Among the mAChRs, M1 and M4 have been historically considered attractive targets for small molecule treatments of numerous CNS disorders such as Alzheimer&#39;s disease and schizophrenia due to their respective localization and involvement in regulation of certain aspects of learning, memory, sleep, motor control, reward, and pain, among others.  However, discovery of subtype-selective small molecules has proven highly difficult due to the conservation of the orthosteric binding-site across the mAChRs.  This has contributed to the failure of muscarinic agonists in clinical trials and has also hampered pharmacological investigation into the role(s) of each mAChR
3150	1	Evaluation of NSD2 Inhibitory Activity for Exemplary Compounds	A reaction mixture was prepared by adding oligonucleosomes from Chicken (0.05 mg/ml) to freshly prepared reaction buffer containing 50 mM Tris-HCl (pH 8.5), 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, and 1% DMSO followed by the addition of recombinant human NSD2, (amino acids 2-end) with N-terminal His tag (2 nM; GenBank Accession No. NM_001042424; MW=155.5 kDa; expressed in Sf9 insect cells) and gentle mixing. The test compounds were diluted in DMSO, added to the reaction mixture in nanoliter amounts by using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) and incubated for 20 minutes at room temperature. The reaction was initiated by the addition of S-Adenosyl-L-[methyl-3H] methionine (3H-SAM; 1 μM), and the mixture was incubated for 1 hour at 30° C. The reaction mixture was delivered to filter paper and the methylated substrate was quantified by scintillation counting. Data analysis was performed using Excel and GraphPad Prism software for IC50 curve fits.
3153	1	Inhibitory Activity of Compounds Against hCYP11B2/hCYP11B1	Seeding: Cells were cultured to a suitable state after resuscitation with maintenance medium, and 96-well flat plates were seeded with seeding medium according to 1×104/100 μL/well (unified cell volume).Changing solution: The supernatant was aspirated and discarded after seeding overnight (>12 hours) and adherence. 100-150 μL/well serum-free medium was added, and after being aspirated. After aspiration, 50 μL/well reaction medium was added for later use.Formulation: Compound was diluted with reaction medium containing 0.4 μM substrate (final experimental concentration is 0.2 μM):CYP11B2 substrate: 11-deoxycorticosterone (11-deoxycorticosterone, S4243, selleckchem). The final reaction concentration was 0.2 μMCYP11B1 substrate: 11-deoxycortisol (11-deoxycortisol, S4775, selleckchem). The final reaction concentration was 0.2 μM.Loading: The above compound dilutions were added to the cell plates at 50 μL/well. The background and control wells were set.Treating and sampling: The cell plates were incubated in a cell incubator for 16 hours after loading, and then each cell plate was centrifuged at 450 g for 2 min. 75 μL supernatant was transferred to a collection plate and frozen at −80° C. for future use (or direct detection).Detection: Homogeneous time-resolved fluorescence kit (Cisbio HTRF kit, Cat.64ALDPEG, Cat.62CRTPEG) was used to determine the concentration of aldosterone or cortisol in the supernatant.
3155	1	HPK1 Enzyme Activity Detection (1 mM ATP System)	Table 1: (1) Take ADP-GloTMKinase Assay Kit (Promega, Cat. No. V9102) to prepare 4× kinase buffer.(2) Compound gradient dilution: The compound to be tested is diluted 3-fold, and 11 gradient concentrations are set, and each concentration is set for duplicate well detection. Serial dilutions were made in a 384-well plate to the corresponding 100×final concentration solution, and then 0.1 μL was transferred to the 384-well reaction plate for testing using Echo. Transfer 0.1 μL of 100% DMSO to the smallest and largest wells.(3) Prepare HPK1 enzyme working solution using 4× kinase buffer.(4) Add 5 μL of HPK1 enzyme working solution to each well and 5 μL of 1× kinase buffer to the smallest well. Centrifuge at 1000 rpm for 1 min and incubate at 25° C. for 15 min.(5) During the incubation period, prepare the substrate working solution using 4× kinase buffer.(6) Add 5 μL of substrate working solution containing 1 mM ATP to each well of the reaction plate, centrifuge at 1000 rpm for 1 min, and incubate at 25° C. for 60 min.(7) At the end of incubation, add 5 μL of ADP Glo reagent to each well. Centrifuge at 1000 rpm for 1 min and incubate at 25° C. for 60 min.(8) Add 10 μL of detection solution to each well, centrifuge at 1000 rpm for 1 min, and incubate at 25° C. for 60 min.
3155	2	HPK1 Enzyme Activity Detection (1 mM ATP System)	Table 2: (1) Prepare the detection buffer: add 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 10 mM magnesium chloride, 1 mM ethylene glycol bis(2-aminoethyl ether) tetraacetic acid (EGTA), 2 mM dithiothreitol (DTT) and 0.01% NER1570 to deionized water and mix well.(2) Prepare 2×ATP-MBP and 2×HPK1 solutions: Use detection buffer to prepare a mixed solution of 2 mM ATP (V915B, Promega) and 0.1 mg/mL MBP (M42-51N, Signalchem) as the 2×ATP-MBP solution: use detection buffer to prepare a 20 nM HPK1 solution as the 2×HPK1 solution.(3) Compound dilution and transfer: The test compound was serially diluted using DMSO to 200 times the detection concentration.20 nL of compound was transferred to a 384-well plate using an Echo 665 (784075, Greiner).(4) Incubation of compounds with HPK1: Transfer 2 μL of 2×HPK1 solution to a 384-well plate.Centrifuge at 1000×g for 30 seconds and incubate at 25° C. for 15 minutes.(5) Adding ATP and substrate: Add 2 μL of 2×ATP-MBP solution to the 384-well plate and centrifuge at 1000×g for 30 seconds.Seal the plate with a sealing film and incubate at 25° C. for 60 minutes.(6) Add ADP-Glo reagent: Add 4 μL ADP-Glo reagent (Promega, V9103) to the 384-well plate, centrifuge at 1000×g for 30 seconds, and incubate at 25° C. for 60 minutes.(7) Detection of luminescent signal; Add 8 μL of luminescent detection reagent (Promega, V9103) to a 384-well plate, centrifuge at 1000×g for 30 seconds, and incubate at 25° C. for 60 minutes.
3155	3	GLK Kinase Assay (1 mM ATP System)	Table 2: (1) Prepare the detection buffer: add 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 10 mM magnesium chloride, 1 mM ethylene glycol bis(2-aminoethyl ether) tetraacetic acid (EGTA), 2 mM dithiothreitol (DTT) and 0.01% NER1574 to deionized water and mix well.(2) Prepare 2-ATP-MBP and 2×GLK solutions: Use detection buffer to prepare a mixed solution of 2 mM ATP (V915B, Promega) and 0.2 mg/mL MBP (M42-51N, Signalchem) as the 2×ATP-MBP solution; use detection buffer to prepare a 100 nM GLK solution as the 2×GLKSolution(3) Compound dilution and transfer: The test compound was serially diluted using DMSO to 200 times the detection concentration.20 nL of compound was transferred to a 384-well plate using an Echo 665 (784075, Greiner).(4) Incubation of compounds with GLK: Transfer 2 μL of 2×GLK solution to a 384-well plate.Centrifuge at 1000×g for 30 seconds and incubate at 25° C. for 15 minutes.(5) Add ATP and substrate: Add 2 μL of 2×ATP-MBP solution to the 384-well plate and centrifuge at 1000×g for 30 seconds.Seal the plate with a sealing film and incubate at 25° C. for 60 minutes.(6) Add ADP-Glo reagent: Add 4 μL ADP-Glo reagent (Promega, V9103) to the 384-well plate, centrifuge at 1000×g for 30 seconds, and incubate at 25° C. for 60 minutes.(7) Detection of luminescent signal: Add 8 μL of luminescent detection reagent (Promega, V9103) to a 384-well plate, centrifuge at 1000×g for 30 seconds, and incubate at 25° C. for 60 minutes.
4290	1	Counterscreen for inhibitors of M1 and M17 aminopeptidases: QFRET-based biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH084103-01 Grant Proposal PI: John Dalton and Donald Gardiner, Queensland Institute of Medical Research, Australia External Assay ID: CTSL1_INH_QFRET_1536_3XIC50 CSDRUN Name: Counterscreen for inhibitors of M1 and M17 aminopeptidases: QFRET-based biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). Description: Aminopeptidases (APs) are metalloproteases that cleave amino-terminal (N-terminal) amino acids during protein synthesis (1, 2) These enzymes are characterized in part by their post-translational removal of leucine, aspartate, proline, methionine, etc from proteins and peptides, in order that protei
4292	1	Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of myeloid cell leukemia sequence 1 (MCL1) interactions with BIM-BH3 peptide.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: MCL1BIM_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of myeloid cell leukemia sequence 1 (MCL1) interactions with BIM-BH3 peptide. Description: Cancer initialization and survival depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although an effective mechanism for anti-cancer chemotherapeutics is apoptosis induction, cancer cells develop resistance to the pro-apoptotic proteins activated by these drugs (2). Multiple myeloma (MM) and chronic lymphoblastic leukemia (CLL) are two we
4293	1	Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael Cardone, Eutropics Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R43 CA135915-01 Fast Track Grant Proposal PI: Michael Cardone, Eutropics External Assay ID: BCLXLBIM_INH_FP_1536_3XIC50 Name: Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL). Description: Cancer initialization and survival depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although an effective mechanism for anti-cancer chemotherapeutics is apoptosis induction, cancer cells develop resistance to the pro-apoptotic proteins activated by these drugs (2). Multiple myeloma (MM) and chronic lymphoblastic leukemia (CLL) ar
4296	1	Confirmation assay for inhibitors of Trypanosoma brucei hexokinase 1-Analogue-first series	Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year.  Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis.   Hexokinase (HK), the first enzyme in glycolysis, catalyses the transfer of the phosphoryl group of ATP to glucose yielding glucose-6-phosphate.  Several lines of experimental evidence confirm that HK activity is essential to T. brucei.  First, RNA interference (RNAi) of HK in BSF parasites is lethal (see below and (Albert et al., 2005)).  Also, attempts to generate knockouts have been unsuccessful (below and (Albert et al., 2005)).  Last, specific inhibitors of TbHK activity have been developed that are trypanocidal, albeit at high concentration
4299	1	SAR analysis of NF-kB dependent luciferase using DAP as an inducer	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory diso
4300	1	SAR analysis of small molecule agonists of the kappa opioid receptor via a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addicti
4301	1	SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addictiv
4302	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao for SAR compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4303	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao for SAR compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4304	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4305	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4306	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4307	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4308	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS8-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4309	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS8-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4310	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4311	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS19-Galphao for SAR Compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
3157	1	Alphascreen Preincubation Assay	AlphaScreen was conducted with 10 g/mL of glutathione donor beads (PerkinElmer, Waltham, MA) and nickel chelate acceptor beads (PerkinElmer) in 10 mM Bis-Tris (pH 7.0), 1 mM TCEP, 0.02% casein, and 0.1% Tween-20. Compounds were plated first followed by addition of one the proteins at 600 nM and incubation for 30 min. The second protein was added and incubated for 30 mn, then the beads were added simultaneously and the final mixture was incubated for 2 hours. Experiments were conducted in 384-well plates (6007290; PerkinElmer) and results were read on a PHERAstar plate reader (BMG Labtech, Cary, NC).h. Isothermal Titration CalorimetryPurified full-length Tau and FynSH3 were dialyzed into 20 mM Tris and 150 mM NaCl, pH 8.0 with Slide-A-Lyzer G2 Dialysis Cassettes with 10K MWCO (ThermoFisher #87729). Cassettes were hydrated in buffer for 2 minutes before purified protein was injected using an 18-gauge needle. Cassettes were placed in 500 mL buffer with a stir bar and stirred for two hours. Buffer was discarded and replaced for two more hours then replaced again and the samples were dialyzed overnight, all at 4° C. Protein concentrations were measured on a Nanodrop2000 (ThermoFisher) based on absorbance at 280 nm. Before ITC, solutions were brought to 5% DMSO to match amount needed for compound no. 69 preparation.ITC experiments were performed on an Auto-iTC200 system (Malvern Instruments, Westborough, MA). ITC sample cell contained ˜120 μM full-length Tau, FynSH3, or Tau-PxxP5/6 (titrand), and the syringe contained 1 mM compound no. 69 (titrant). Each titration experiment consisted of 16 injections of 2.5 ELL of titrant into titrand at 25° C. Background mixing heat was determined from injections of titrant into the same buffer without titrand. 
4313	1	SAR analysis of compounds that inhibit NOD1 revised	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory diso
4314	1	SAR analysis of compounds that inhibit NOD2 revised	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory disor
4315	1	SAR analysis of inhibitors of TNFa specific NF-kB induction revised	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), a canonical NF-kB inducer, and is designed for identification of hits specific to TNFa-modulated pathways.  We utilized this assay to assess selectivity of hits emerging from the primary screening of the library in NOD1- and NOD2-specific assays (AIDs 1578 and 1566). The HEK-293-T NF-kB-Luc cell line designed for luminescent detection of NF-kB induction was utilized in this assay. This dose response assay is developed and performed to confirm hits originally identified in "uHTS luminescence assay f
4316	1	SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay is developed and performed to evaluate selectivity of hits originally identified in a high-content screen for agonists of the GPR55 receptor, "Image-Based HTS for Selective Agonists of GPR55"(AID 1961) and to study the structure-activity relationship on analogs of th
4317	1	HTS Image-Based Screen for Agonists of the DOR Receptor	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human delta opioid receptor (DOR). The dose response assay is developed and performed to evaluate selectivity of hits originally identified in a uHTS luminescent beta-arrestin assay for agonists of the KOR re
3323	1	Test of Activity Against HsFPPS	HsFPPs with 6 consecutive His at the N-terminus was induced to express in vitro, collected, and purified by Ni column. In vitro HsFPPs enzymatic activity assay was performed in a 96-well plate at 200 μl of solution per well. The buffer of the system was 25 mM HEPES, 2.5 mM MgCl2, pH 7.4. Using DMAPP and IPP as reaction substrates, the changes of UV at 360 nm were monitored in real-time in phosphate lyase system. ORIGIN 8.0 software was used to plot and fit.b: Test of Activity Against PvGGPPS (Geranylgeranyl Pyrophosphate Synthase from Plasmodium) PvGGPPs with 6 consecutive His at the N-terminus was induced to express in vitro, collected, and purified by Ni column. In vitro PvGGPPs enzymatic activity assay was performed in a 96-well plate at 200 μl of solution per well. The buffer of the system was 25 mM HEPES, 2.5 mM MgCl2, pH 7.4. Using GPP and IPP as reaction substrates, a 360 nm continuous spectrophotometric detection was performed in a phosphate lyase system. ORIGIN 8.0 software was used to plot and fit. 
4319	1	SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of the kappa opioid receptor via a
3443	1	HDAC Inhibitory Assay	The inhibition of HDAC proteins (HDAC1-9) was determined using a kinetic assay to measure trifluoroacetyllysine substrate processing, as reported previously (J. E. Bradner et al., Chemical phylogenetics of histone deacetylases. Nature chemical biology 6, 238 (2010)).
3897	1	Determination of the Inhibitory Effect of the Compounds of the Present Invention on the Activity of EGFR del19/T790M/C797S and EGFR L858R/T790M/C797S Mutant Kinases	Experimental method: This experiment used Cisbio&#39;s HTRF kinase assay method (Cisbio #62TK0PEB), wherein a catalytic reaction occurred between the substrate polypeptide TK and ATP in the presence of the tyrosine kinase with EGFR del19/T790M/C797S or EGFR L858R/T790M/C797S mutation, the substance was phosphorylated, and the activity of the kinase was characterized by measuring the content of the phosphorylated substrate generated during the reaction, and the half inhibitory concentration IC50 of the compound on the activity of EGFR del19/T790M/C797S or EGFR L858R/T790M/C797S mutant kinase was obtained.Specific Experimental Operations were as Follows:the kinase reaction was carried out in a white 384-well plate (Perkin Elmer #6008280), and 1-5 μL of compounds of different concentrations which were diluted with 1% DMSO-containing ddH2O were added; to the positive control wells were added 1-5 μL of 1% DMSO-containing ddH2O, followed by 1-5 μL of 0.5-5 nM 4×EGFR del19/T790M/C797S or EGFR L858R/T790M/C797S mutant kinase solution which was diluted with Dilution buffer (5× kinase buffer, MgCl2 6.65 Mm, MnCl2 1.33 mM, DTT 1.33 mM); to the negative control wells were added 1-5 μL of Dilution buffer; to all the wells were added 1-5 μL of 4 μM 4× substrate TK solution which was prepared with 10× Dilution buffer, and finally added 1-5 μL of 24 μM 4×ATP solution which was diluted with Dilution buffer to start the reaction; after reacting at room temperature for 120 minutes, 10 μL of detection solution (TK antibody 16 nM, XL665 0.5 μM) was added to each well, same was reacted at room temperature in the dark for 20 minutes, and then the chemiluminescence value was detected using a BioTek Synergy H1 microplate reader.
3957	1	PEPD Enzyme Assay	For the PEPD assay, a solution of substrate (Ala-Pro) was prepared in DMSO. 24 μL of 50 nM recombinant human PEPD were added to a 384-well, black, clear-bottom plate (Corning) with 1 μL dipeptide Ala-Pro (final conc. 40 μM). Alanine liberated was measured as increasing fluorescence signal (Resorufin, Ex/Em: 535/587 nm) recorded at 25° C. using an L-alanine assay kit (Abcam, ab83394) at 25° C. according to manufacturer&#39;s instructions. For the AMC reporter assays, experiments were performed with cell lysates. 5 μL solution of substrate (2.5 mM Ala-AMC) was added the mixture of 10 μL HEK293T cell lysates (2.5 mg/ml) and 10 μL of indicated compounds in a 384-well, black, clear-bottom plate (Corning) to initiate the reaction. Substrate cleavage was measured as increasing fluorescence signal (Ex/Em: 380/460 nm) recorded at 25° C. for 20 mins.
3957	2	XPNPEP1 Enzyme Assay	For XPNPEP1 enzymes (XPNPEP1 3.5 nM) were plated on a black 384-well clear bottom plate and treated with the indicated doses of compounds. H-Lys(abz)-Pro-Pro-pNA substrate was added to a final concentration of 100 μM, and fluorescence was monitored (Ex/Em: 320/410) for 60 mins.
4323	1	SAR Analysis of Agonists of the MOR Receptor using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human mu opioid receptor (MOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of th
4325	1	HTS Image-Based Screen for Antagonists of the DOR Receptor	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham, NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human delta opioid receptor (DOR). The dose response assay is developed and performed to evaluate selectivity of hits originally identified in a uHTS luminescent beta-arrestin assay for agonists of the KOR
4326	1	SAR Analysis of Antagonists of the DOR Receptor using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human delta opioid receptor (DOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists
4327	1	SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of the kappa opioid receptor via a lum
4328	1	SAR Analysis of Agonists of the DOR Receptor using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human delta opioid receptor (DOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of
4329	1	Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of the Epstein-Barr virus-encoded protein, ZTA	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: ZTA_INH_FP_1536_3XIC50 EBNA DRUN CS Name: Counterscreen for inhibitors of EBNA-1: fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors of the Epstein-Barr virus-encoded protein, ZTA. Description: During each cell cycle in eukaryotes, the genome must be completely replicated and this replication must begin at the correct time and site (initiation site or origin) (1). Pathogenic viruses often take advantage of this cellular precision to maintain replication of their own genome. The Epstein-Barr virus (EBV) is an orally-transmitted herpesvirus associated with
4330	1	Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the Epstein-Barr virus nuclear antigen 1 (EBNA-1)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Paul Lieberman, Wistar Institute Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: I R21 NS063906-01 Grant Proposal PI: Paul Lieberman, Wistar Institute External Assay ID: EBNA1_INH_FP_1536_3XIC50 Name: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the Epstein-Barr virus nuclear antigen 1 (EBNA-1). Description: During each cell cycle in eukaryotes, the genome must be completely replicated and this replication must begin at the correct time and site (initiation site or origin) (1). Pathogenic viruses often take advantage of this cellular precision to maintain replication of their own genome. The Epstein-Barr virus (EBV) is an orally-transmitted herpesvirus associated with numerous human neoplasms (2) that infects over 90% o
3979	1	SOS1-KRas (G12C) FRET Assay	Inhibition of the SOS1: KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Acad Sci USA (2019); 116 (7): 2551-2560) and recombinant His10-SOS1 (res. 564-1049; purified based on Hillig, et al.). The final assay was performed at 20 uL with 0.5 nM SOS1 protein and 2.5 nM KRAS protein in a buffer of PBS, 0.1% BSA, 5 mM MgCl2, 0.0025% Igepal, 100 mM KF, 5 mM DTT in a white 384 square well OptiPlate (PerkinElmer, Cat. 6007290). A 2×KRAS working solution was prepared in an assay buffer containing 5 nM GST-KRAS G12C and 2 nM anti-GST-Eu (K) (Cisbio, Cat. 61GSTKLA) and pre-incubated for 15 minutes at 25° C. Compounds were serially diluted in 100% DMSO from 2 mM (positive control, compound I-13, PCT Publ. No. WO2018/115380) or 20 mM and then diluted 1:20 in assay buffer before incubation with a solution of SOS1 protein mixed 1:5 with anti-6His-XL665 FRET donor (Cisbio, Cat. 61HISXL) for 15 minutes at 25° C. before addition of 2×KRAS working solution. The final DMSO concentration is 0.5%. Plates were incubated at RT for 2 hrs before the FRET signal was measured using Envision at emission 665 nm and 615 nm.
3980	1	hFAP Binding Assay	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a direct binding assay using 8K surface plasmon resonance biosensor (GE Healthcare) at 20° C. Immobilization of hFAP (M39-A757) on a CMD200M sensor chip (Xantec) was performed using standard amine coupling procedure in immobilization buffer (10 mM HEPES, 150 mM NaCl, 0.05% Tween20, pH 7.4). The surface was washed with 10 mM NaOH, IM NaCl before being activated with EDC/NHS (GE Healthcare), followed by immobilization of hFAP (in 10 mM Acetate pH 5.0). Finally, the surface was deactivated by ethanolamine. Immobilization levels of hFAP were around 4000-6000 RU. The reference spot was treated as described, omitting the injection of hFAP. Compound concentration series were injected over the immobilized protein in increasing concentrations (2-500 nM) using single cycle kinetics in running buffer (20 mM TRIS, 150 mM NaCl, 0.05% Tween20, 1% DMSO, pH 7.4).
3980	2	hFAP Inhibition Assay (Tight Binders)	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a biochemical inhibition assay using human Fibroblast activation protein alpha (hFAP) enzyme at 2.4 pM FAC (Proteros, 38-760 (PR-0071) and the substrate Ala-Pro-AMC (ARI-3144) at 20 μM FAC. 384 low volume black plates (Greiner #784076) were used. 4 μL, 4.8 pM enzyme solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to 40 nL compounds (in DMSO) at 10 CR, 3-fold dilution series from 50 nM FAC. Plates were incubated for 15 min at rt in dark. 4 μL, 40 μM substrate solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 2.5 h at rt in dark. The plates were read on a PHER Astar® reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener®. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 0.5% DMSO as 0% control.
3980	3	hPrep Inhibition Assay	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a biochemical inhibition assay using Prolyl endopeptidase, Prolyl Oligopeptidase (hPREP) enzyme at 0.6 nM FAC (R&D Systems, 4308-SE) and the substrate Z-Gly-Pro-amino-methylcoumarin (Bachem, I-1145) at 50 μM FAC. 384 Low volume black plates (Greiner #784076) were used. 4 μL, 1.2 nM enzyme solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to 40 nL compounds (in DMSO) at 10 CR, 3-fold dilution series from 50 μM FAC. Plates were incubated for 15 min at rt in dark. 4 μL, 100 μM substrate solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 20 min at rt in dark. The plates were read on a PHERAstar® reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener®. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model.
3980	4	hDPP7 Inhibition Assay	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a biochemical inhibition assay using human dipeptidylpeptidase 7 (hDPP7) enzyme at 15 nM FAC (BPS Bioscience, #80070) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience, #80305) at 5 μM FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 μL DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3-fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 μL of the dilution was added to a 50 μL reaction so that the highest compound concentration was 100 μM FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 1% DMSO as 0% control and no enzyme as 100% inhibitor control.
3980	5	hDPP8 Inhibition Assay	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a biochemical inhibition assay using human dipeptidylpeptidase 8 (hDPP8) enzyme at 1.5 nM FAC (BPS Bioscience, #80080) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience #80305) at 5 μM FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 μL DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3-fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 μL of the dilution was added to a 50 μL reaction so that the highest compound concentration was 100 μM FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 1% DMSO as 0% control and no enzyme as 100% inhibitor control.
3980	6	hDPP9 Inhibition Assay	(R)—N-(2-(4-Cyanothiazolidin-3-yl)-2-oxoethyl)-6-morpholinoquinoline-4-carboxamide was tested in a biochemical inhibition assay using human dipeptidylpeptidase 9 (hDPP9) enzyme at 0.4 nM FAC (BPS Bioscience, #80090) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience #80305) at 5 μM FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 μL DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3-fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 μL of the dilution was added to a 50 μL reaction so that the highest compound concentration was 100 μM FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism.
3981	1	HPK1 Enzyme Inhibition Assay	The compound was dissolved in 100% DMSO at the concentration of 10 mM. The HPK1 protein was purchased from Signal Chem (M23-11G-10). 2.5 μL per well of 2×HPK1 protein was added to assay plate containing the test compound, centrifuged at 1500 rpm for 1 minute, and then incubated at 25° C. for 60 minutes. MBP protein was purchased from Signal Chem (M42-51N) and ATP was purchased from Promega (V9102). The two were added 2.5 μL per well mixture of 2×MBP (0.2 ug/ul) and ATP (20 μM), centrifuged at 1500 rpm for 1 minute, then incubated at 25° C. for 60 minutes. Then added 5 μL of ADP-Glo from Promega (V9102) to the assay plate and depleted the unconsumed ATP for 60 minutes. Then centrifuged at 1500 rpm for 1 minute and incubated at 25° C. for 60 minutes. Finally, 10 μL of the kinase assay reagent from Promega (V9102) was added to the assay plate to convert ADP to ATP, centrifuged at 1500 rpm for 1 minute, incubate at 25° C. for 40 minutes. After 40 minutes incubation, the fluorescence was determined.
3981	2	FLT3-ITD Enzyme Inhibition Assay	The compound was dissolved in 100% DMSO at the concentration of 10 mM. The FLT3-ITD protein was purchased from Invitrogen (PV6191). 10 μL per well of 2.5×FLT3-ITD protein was added to assay plate containing the test compound, centrifuged at 1000 rpm for 1 minute, and then incubated at 25° C. for 10 minutes. Peptide 2 was purchased from GL Biochem (112394) and ATP was purchased from Promega (V9102). The two were added 15 μL per well mixture of 1.67× peptide 2 (final conc. is 3 μM) and ATP (final conc. is 97.2 μM), centrifuged at 1000 rpm for 1 minute, then incubated at 25° C. for 40 minutes. Then added 30 μL of stop buffer (100 mM HEPES pH7.5, 0.015% Brij-35, 0.2% Coating Reagent 3, 50 mM EDTA) to the assay plate and centrifuged at 1000 rpm for 1 minute. the product was determined. Based on the results, the IC50 value of the compound was calculated.
3981	3	Aurora A Enzyme Inhibition Assay	The compound was dissolved in 100% DMSO at the concentration of 10 mM. The Aurora A protein was purchased from Carna (05-101). 10 μL per well of 2.5×Aurora A protein was added to assay plate containing the test compound, centrifuged at 1000 rpm for 1 minute, and then incubated at 25° C. for 10 minutes. Peptide 21 was purchased from GL Biochem (116370) and ATP was purchased from Promega (V9102). The two were added 15 μL per well mixture of 1.67× peptide 21 (final conc. is 3 μM) and ATP (final conc. is 14.58 μM), centrifuged at 1000 rpm for 1 minute, then incubated at 25° C. for 40 minutes. Then added 30 μL of stop buffer (100 mM HEPES pH7.5, 0.015% Brij-35, 0.2% Coating Reagent 3, 50 mM EDTA) to the assay plate and centrifuged at 1000 rpm for 1 minute. the product was determined.
3987	1	Pharmacological Assay	Utilizing the voltage-clamp mode in the QPatch 48 HTX system a half inactivation state voltage protocol (V1/2) was used to determine pharmacological activity of compounds of the invention at Nav1.8 ion channels. A V1/2 protocol was utilized with the following voltage steps: a holding voltage of −100 mV was established followed by a 20 ms voltage step to 0 mV (P1), followed by an inactivating voltage step at −46 mV for 8 seconds, followed by a step to −100 mV for 20 ms, before a 20 ms step to 0 mV (P2), then returned to the holding voltage of −100 mV. This voltage protocol was repeated at a frequency of every 15 seconds, the current magnitude was quantified at the P2 step throughout the recording. Inhibition of the measured current amplitude with compounds of the invention was analyzed by fitting a 4-6 points dose-response curve allowing determination of the fifty percent inhibition concentration (IC50). P2 currents were normalized according to measurements made at baseline (Baseline, vehicle only), after compound (Input, at each test concentration), and after positive reference compound (FullResponse, to achieve complete block), fit to the following equation:n.ICPD=Normalized⁢Current=(Input-Baseline)(FullResponse-Baseline)[1570]To assess current run-down over the course of the experiment vehicle-only wells were utilized and the normalized current with vehicle-only (n.IVEH) was determined. To correct the compound response for run-down, the currents were corrected according to the following formula:n.IRD⁢_⁢Correct=(n.ICPD-n.IVEH)(1-n.IVEH)
3171	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) assay. The SARS-CoV-2 3CLpro assay measures the activity of full-length SARS-CoV-2 3CL protease to cleave a synthetic fluorogenic substrate peptide with the following sequence: Dabcyl-KTSAVLQ-SGFRKME-Edans modelled on a consensus peptide (V. Grum-Tokars et al. Evaluating the 3C-like protease activity of SARS-coronavirus: recommendations for standardized assays for drug discovery. Virus Research 133 (2008) 63-73). The fluorescence of the cleaved Edans peptide (excitation 340 nm/emission 490 nm) is measured using a fluorescence intensity protocol on a Flexstation reader (Molecular Devices). The fluorescent signal is reduced in the present of PF-835231, a potent inhibitor of SARS-CoV-2 3CLpro. The assay reaction buffer contained 20 mM Tris-HCl (pH 7.3), 100 nM NaCl, 1 mM EDTA and 25 μM peptide substrate. Enzyme reactions were initiated with the addition of 15 nM SARS-CoV-2 3CL protease and allowed to proceed for 60 minutes at 23° C. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity) and a control compound (100% inhibition/0% activity). IC50 values were generated using a four-parameter fit model using ABASE software (IDBS). Ki values were fit to the Morrison equation with the enzyme concentration parameter fixed to 15 nM, the Km parameter fixed to 14 μM and the substrate concentration parameter fixed to 25 μM using ABASE software (IDBS).
3172	1	Competitive HTRF Assay	The general procedure of the competitive HTRF assay for the affinity to CBP recombinant proteins is as follows: 0.05% Tween-20 and 1 mM of TCEP were added immediately before the assay, and the assay was performed in a buffer consisting of 0.1 mg/ml BSA, 50 mM of HEPES and 5 mM of NaCl of pH 7.5. 2.5 μL of compound solution in a determination buffer with 4% DMSO and 5 μL of CBP solution in a determination buffer were added to a white low-volume 384-well microtiter plate, incubated at room temperature for 20 min, and then incubated at room temperature for 40 min by adding 2.5 μL of biotin-labeled ligand solution to the determination buffer. The final concentrations of CBP, biotin-labeled ligand and DMSO were 5 nM, 50 nM and 1%, respectively. Then, 5 μL of MAb Anti 6HIS—Eu cryptate Gold and 5 pt of Streptavidin-XL665 in detection buffers from the manufacturer were added to the mixture, and the mixture was incubated for another 60 min. The final concentration of Streptavidin-XL665 was 12.5 nM, and MAb Anti 6HIS—Eu cryptate Gold was diluted according to the final concentration provided by the supplier. The multimode reader Spark from TECAN (Mannedorf, Switzerland) was used to read the plate to detect the homogeneous time-resolved fluorescence intensity of two groups, in which the excitation wavelength was 320 nm and the emission wavelengths were 665 nm and 620 nm. The IC50 value of the inhibitor was obtained by fitting fluorescence intensity ratios at 665 nm/620 nm with respect to the inhibitor concentration in an S-shaped dose-response curve by using Prism 7 (La Jolla, 15 CA).
3174	1	TYK2 (h) Enzyme Reaction	TYK2 (h), together with 8 mM MOPS, pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration of which were tailored as needed) were incubated. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to terminate the reaction. Then 10 μL of the reactant was dripped on a P30 filter pad, washed with 0.425% phosphoric acid for three times and then with methanol for one time within 4 minutes, dried and counted by scintillation.
3174	2	JAK1 (H) Enzyme Reaction	JAK1 (h), together with 20 mM Tris/HCl, pH75, 0.2 mM EDTA, 500 μM MGEEPLYWSFPAKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration of which were tailored as needed) were incubated together. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to terminate the reaction. Then 10 μL of the reactant was dripped on a P30 filter pad, washed with 0.425% phosphoric acid for three times and then with methanol for one time within 4 minutes, dried and counted by scintillation.
3174	3	JAK2 (h) Enzyme Reaction	JAK2(h), together with 8 mM MOPS, pH 7.0, 0.2 mM EDTA, I00 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration of which were tailored as needed) were incubated. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to terminate the reaction. Then 10 μL of the reactant was dripped on a P30 filter pad, washed with 0.425% phosphoric acid for three times and then with methanol for one time within 4 minutes, dried and counted by scintillation.
3174	4	JAK3 (h) Enzyme Reaction	JAK3 (h), together with 8 mM MOPS, pH 7.0, 0.2 mM EDTA, 500 μM GGEEEEYFELVKKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration of which were tailored as needed) were incubated. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to terminate the reaction. Then 10 μL of the reactant was dripped on a P30 filter pad, washed with 0.425% phosphoric acid for three times and then with methanol for one time within 4 minutes, dried and counted by scintillation.
3175	1	Evaluation of Pyrazolopyrimidine and Triazine Derivatives	The binding affinities of the compounds to EphA2 were investigated by microscale thermophoresis (MST) (M. Jerabek-Willemsen et al., J. Mol. Struct. 2014, 1077, 101-113). The dissociation constants of compounds @1 and @3 determined by MST (towards EphA2) are in the low nanomolar range (KD=3-4 nM), whereas the corresponding NVPiso derivative @2 (KD=132 nM) shows 44-fold lower binding affinity towards EphA2. The derivatives @4 and @5 are less potent than the pyrazolopyrimidine derivatives @1 and @3, showing an increased KD of 86 and 225 nM, respectively (Table 2). The affinities of the triazine derivatives towards EphA2 cover a broad range from low nanomolar to micromolar. Correlation with the substitution patterns indicates that a nitrogen at position 3 (3-pyridyl or imidazole) of the triazine substituent may be important for generating affinity.
3197	1	hERG Channel Inhibition Assay	The hERG channel inhibition assay is a highly sensitive measurement that identifies compounds exhibiting hERG inhibition related to cardiotoxicity in vivo. The hERG K+ channels were cloned in humans and stably expressed in a CHO (Chinese hamster ovary) cell line. CHOhERG cells were used for patch-clamp (voltage-clamp, whole-cell) experiments. Cells were stimulated by a voltage pattern to activate hERG channels and conduct IKhERG Currents (rapid delayed outward rectifier potassium current of the hERG channel). After the cells were stabilized for a few minutes, the amplitude and kinetics of IKhERG were recorded at a stimulation frequency of 0.1 Hz (6 bpm). Thereafter, the test compound was added to the preparation at increasing concentrations. For each concentration, an attempt was made to reach a steady-state effect, usually, this was achieved within 3-10 min at which time the next highest concentration was applied. The amplitude and kinetics of IKhERG are recorded in each concentration of the drug which were compared to the control values (taken as 100%).
3321	1	Inhibition of PIKfyve	The kinase reactions were assembled in 384-well plates (Greiner) in a total volume of 20 mL as follows. Kinase protein was pre-diluted in an assay buffer comprising 25 mM HEPES, pH 7.5, 1 mM DTT, 2.5 mM MgCl2, and 2.5 mM MnCl2, and 0.005% Triton X-100, and dispensed into a 384-well plate (10 μL per well). Test compounds were serially pre-diluted in DMSO and added to the protein samples by acoustic dispensing (Labcyte Echo). The concentration of DMSO was equalized to 1% in all samples. All test compounds were tested at 12 concentrations. Apilimod was used as a reference compound and was tested in identical manner in each assay plate. Control samples (0%-inhibition, in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) were assembled in replicates of four and were used to calculate %-inhibition in the presence of compounds. The reactions were initiated by addition of 10 μL of 2× PI3P/PS substrate supplemented with ATP. The final concentration of enzyme was 2 nM, the final concentration of ATP was 10 mM, and the final concentration of PI3P/PS substrate was 1 μM (PI3P). The kinase reactions were allowed to proceed for 3 h at room temperature. Following incubation, the reactions were quenched by addition of 50 mL of termination buffer (100 mM HEPES, pH 7.5, 0.01% Triton X-100, 20 mM EDTA). Terminated plates were analyzed on a microfluidic electrophoresis instrument (Caliper LabChip® 3000, Caliper Life Sciences/Perkin Elmer).
3322	1	Cdk4 and 6 Enzymatic Inhibition Assay	For the Ki determination assay, 200 μM stock solutions of compounds were subjected to a serial, semi-logarithmic dilution using 100% DMSO as a solvent. 10 distinct concentrations were prepared, with a dilution endpoint of 6×10−9 M in 100% DMSO. 100% DMSO was used as a control. 10 μL from each of the serial dilutions were aliquoted into separate wells of a 96-well plate and 90 μL of water were added to each of those wells. The plate was shaken thoroughly, and 5 μL from each of the plate&#39;s wells were transferred into wells of the assay plate. The final volume of wells in the assay plate was 50 μL. A11 compounds were tested at 10 assay concentrations in the range from 2×10−6 M to 6×10−11 M. The final DMSO concentration in the wells of the assay plate was 1% in all cases.
3322	2	hERG Inhibition Assay	The following voltage command protocol was used:From the holding potential of −80 mV, the voltage was first stepped to −50 mV for 80 ms for leak subtraction, and then stepped to +20 mV for 4,800 ms to open hERG channels.After which, the voltage was stepped back down to −50 mV for 5,000 ms, causing a “rebound” or tail current, which was measured and collected for data analysis.Finally, the voltage was stepped back to the holding potential of −80 mV for 3,100 ms.For each experiment, three additions of 5 μL of the vehicle were applied, followed by 30 runs of the voltage command protocol for a baseline period. Then, the ascending doses of each compound were added with three repetitions (5 μL of compound each time).
3994	1	In Vitro Assay	The enzymatic activity of compounds of the present invention was monitored measuring the formation of ADP using the ADP-GLO Kinases assay. Following the incubation of the purified enzyme, a substrate and ATP, the produced ADP was converted into ATP, which in turn was converted into light by Ultra-Glo Luciferase. The luminescent signal positively correlated with ADP amount and kinase activity. Briefly, the kinase reaction was performed by incubating 2.6 nM of the purified, commercially available human ALK5 (recombinant TGF β1 N-term GST-tagged, 80-end), a final concentration of TGFβ1 peptide 94.5 μM (Promega, T36-58) and ultra-pure ATP (Promega V915B). The ATP concentration was set at the Km value (concentration of substrate which permits the enzyme to achieve half maximal velocity (Vmax)) of ALK5 (0.5 μM). Compound and ALK5 kinase were mixed and incubated for 15 min. Reactions were initiated by addition of ATP at a final concentration in the assay of 0.83 μM. After an incubation of 120 min, the reaction was stopped, and ADP production detected with ADP-Glo kit according to manufacturer&#39;s indications. All reaction and incubation steps were performed at 25° C. and the assays were performed in 384-well format and validated using a selection of reference compounds tested in 11-point concentration-response curve.
3996	1	Experimental Method of USP1 Enzyme Activity	USPli compounds were screened by USP1 enzyme activity detection experiment.1.1 Experimental materials: recombinant human His6-USP1/His6-UAF1 composite protein. (R&D, catalog number E-568-050): Ubiquitin rhodamine 110 (Ub-Rho) (R&D, catalog number U-555-050); Fluorescent 384-well plate (Perkin Elmer, Art. No. 6007279).1.2 Test sample: Compounds of table 3 in this application, whose structural formulae and preparation methods are shown in the above examples.1.3 Experimental Process:(1) Preparing 1× detection buffer (improved Tris buffer, comprising 50 mM Tris-HCl (PH 7.8) (Sigma, article number: T2569-1L), 0.01% Tween-20 (Sigma, article number: P2287-100ML), 1 mM DTT (Sigma, article number: D0632-10G), 0.01% BSA (Sigma, article number: B2064-100G) and 0.5 mM EDTA (Invitrogen, article number: 15575020)).(2) Diluting compounds: preparing a 10 mM (mol/L) solution of the compound to be tested with dimethyl sulfoxide (DMSO, with a purity of 100%); diluting the solution of the compound to be detected in a 3-fold gradient to obtain 10 concentrations, wherein the highest concentration is 10 mM; transferring the diluted solution of the compound to be tested to a fluorescent 384-well plate by Echo acoustic liquid handlers, double holes were set for each concentration, and the final concentration of DMSO is 1 vol %; the final concentrations of the solution of the compounds to be tested is 10000 nM, 3333 nM, 1111 nM, 370 nM, 123 nM, 41 nM, 13.7 nM, 4.6 nM, 1.5 nM and 0.5 nM.(3) Preparing enzyme solution: preparing enzyme solution in 1× detection buffer.(4) Preparing substrate solution: adding Ubiquitin Rhodamine 110 (Ub-Rho) into 1× detection buffer to form the substrate solution.(5) Transferring 10 μL of the enzyme solution prepared in step (3) to the fluorescent 384-well plate.(6) Incubating the resultant for 1 hour at room temperature.(7) Adding 10 UL of the substrate solution prepared in step (4) into each well to start the reaction; wherein the final reaction system composed of 200 nL of the compound to be tested+10 μL of the enzyme solution+10 μL of the substrate solution: the final concentration of enzyme is 0.05 DM, and the final concentration of the substrate solution is 300 nM; and the reaction is carried out with centrifuging for 30s and shaking for 30s.(8) Reading the plate on a multifunctional enzyme-labeling instrument SpectraMax Paradigm for 30 minutes, with an excitation wavelength of 480 nm and an emission wavelength of 540 nm.(9) Collecting data regarding SpectraMax Paradigm.(10) Curve fitting:Using Equation (I) to fit data in Excel to obtain the inhibition value;inhibition⁢rate⁢⁢%=(maximum⁢signal⁢value-target⁢signal⁢value)/(maximum⁢signal⁢value-minimum⁢signal⁢value)
3998	1	TR-FRET Assay 	The TR-FRET assay is an indirect measurement of PARG activity as it monitors PARG-mediated reversal of a PAR-dependent PARP1-XRCC1 interaction. Furthermore, loss of the TR-FRET signal was not detected until all PAR chains were degraded to lengths shorter than 7 ADP-ribose units (Kim et al., 2015). Nonetheless, this assay enabled the measurement of steady-state PAR turnover rate, which was adequate for detecting enzyme inhibitors. In contrast, the gel-based assay directly monitors the enzymatic conversion of PARylated PARP1 to an unmodified product by PARG, enabling a semi-quantitative measurement of enzyme inhibition.
4004	1	Test of the Ability to Inhibit Enzymes: Horse Plasma Butyrylcholinesterase (eqBuChE) and Human Plasma Butyrylcholinesterase (hBuChE)	The spectrophotometric Ellman&#39;s test [Ellman et al.] modified for assays in 96-well plates was used to test the activity. Reagents: 5,5′-dithiobis-(2-nitrobenzoic acid) (DTNB), eqBuChE and butyrylthiocholine iodide (BTC) were purchased from Sigma-Aldrich (Steinheim, Germany). hBuChE was from Vivonics (Bedford, MA, USA). The enzymes were prepared by dissolving in demineralized water to a concentration of 0.384 U/ml. Stock solutions of test compounds were prepared by dissolving in DMSO to a concentration of 0.0034 M. They were then diluted with water to obtain the appropriate concentrations in the wells. In the first step of the test, 25 μl of test compound (or DMSO/water mixture at the appropriate ratio for blank samples) was incubated in 0.1 M phosphate buffer (200 μl, pH=8.0) with DTNB (20 μl; 0.0025M) and with the appropriate enzyme (20 μl; eqBuChE or hBuChE) at 25° C. (animal enzyme) or 36° C. (human enzyme). After a 5 minutes incubation period, 20 μl of BTC solution (0.00375 M) was added. After another 5 minutes, the changes in absorbance of the solutions were measured at 412 nm using a multifunctional microplate reader (EnSpire Multimode; PerkinElmer; Waltham, MA, USA). All compounds were tested at a screening concentration of 10 μM (eqBuChE) or 1 μM (hBuChE). The percentage of enzyme inhibition was calculated from the equation 100-(S/B)×100, where S and B were the enzymatic activity in the test sample well and in the well without sample, respectively. For compounds with an enzyme inhibitory ability at a screening concentration greater than 50% (eqBuChE) or 80% (hBuChE), IC50 values were determined. To determine the IC50 value, seven different concentrations of each compound were used to obtain an enzyme activity from 5% to 95%. All reactions were performed in triplicate. IC50 values were calculated using non-linear regression (GraphPad Prism 5 [GraphPad Software, San Diego, CA, USA 5.00]) for the percentage of enzyme inhibition against the inhibitor concentration used. Tacrine and donepezil were used as reference compounds.
4004	2	Testing the Ability of the Inhibition of Human Recombinant Beta-Secretase (hBACE1)	The FRET assay [Vassar, et al.] was used to test activity using 384-well black plates and a microplate reader (EnSpire Multimode; PerkinElmer; Waltham, MA, USA). The test was purchased from Life Technologies Polska Sp. z o.o. (Warsaw, Poland). The analytical wavelength was optimized and found to be 553 nm for excitation and 576 nm for emission. Stock solutions of test compounds were prepared in DMSO and then further diluted with assay buffer (50 mM sodium acetate; pH 4.5) to the appropriate concentrations in the wells. In the first step of the test, 10 μl of the substrate (Rh-EVNLDAEFK quencher, based on the so-called Swedish APP mutation) was mixed with 10 μl of the test compound (or assay buffer; for blank sample). The enzyme reaction was initiated by adding 10 μl of enzyme (hBACE1, 1 U/ml). The reaction mixture was incubated at 25° C. for 60 minutes, then 10 μL of Stop solution (2.5 M sodium acetate) was added. After stopping the reaction, fluorescence was measured at 576 nm. The percentage of enzyme inhibition was calculated from the formula [1−(S60−S0)/(C60−C0)]×100, where S0 and S60 are the fluorescence of the test sample (containing the enzyme, substrate and test compound) at the start of the reaction and after 60 minutes, respectively, whereas C0 and C60 were analogous fluorescence intensities in the blank samples (containing enzyme, substrate and buffer). All test compounds were tested at a concentration of 50 μM in triplicate. IC50 values were determined for test compounds with at least 80% enzyme inhibitory activity at the 50 μM screening concentration. A BACE1 IV inhibitor (Calbiochem, Merck; Nottingham, UK) [Stachel et al.] was used as a reference compound. The IC50 value of the inhibitor IV was determined using eight different concentrations of the compound resulting in enzyme inhibition between 10% and 95%. IC50 values for all test compounds were calculated using non-linear regression (GraphPad Prism 5 [GraphPad Software, San Diego, CA, USA 5.00]) for the percentage of enzyme inhibition against the inhibitor concentration used.
4004	3	Inhibition of Particular Subtypes of gamma-Aminobutyric Acid Transporters (GAT) Test	The compounds according to the invention have a non-selective inhibitory profile for γ-aminobutyric acid transporters. The most important transporter for Alzheimer&#39;s disease is the GAT4 isoform, which is found on astrocytes and microglia cells. The validity of GAT4 inhibition in the treatment of Alzheimer&#39;s disease has been proven in animal studies (Z. Wu, Z. Guo, M. Gearing, G. Chen, Tonic inhibition in dentate gyrus impairs long-term potentiation and memory in an Alzheimer&#39;s disease model, Nat. Commun. 5 (2014) 1-13). Exemplary compounds according to the invention were screened at the Ludwig-Maximilian University of Munich to determine the inhibitory ability towards four mouse GAT transporters (mGAT1-mGAT4). The radioligand used in the research was tritium labeled [3H]GABA, which shows high affinity for particular isoforms of mouse transporters. The biological material was stably transfected human embryonic kidney HEK293 cells, expressing genes to the appropriate transporters. The generated radioactivity was measured with a liquid scintillation counter. The screening tests were performed at a concentration of 100 μM, and the pIC50 value was determined for compounds showing at least 50% inhibitory potential from three independent experiments. These determinations were made according to the procedure described in detail in A. Kragler, G. Höfner, K. T. Wanner, Novel parent structures for inhibitors of the murine GABA transporters mGAT3 and mGAT4, Eur. J. Pharmacol. 519 (2005) 43-47. 
4005	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 μL of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP® 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 μM; FL-IPTSPITTTYFFFKKK peptide 1.5 μM; IRAK4, 0.6 nM; and DMSO, 1.6%.
4006	1	Affinity for histamine H4-receptor was determined by H4 Binding assay	Membranes from CHO-K1 cells transfected with human H4 receptor and microplates of 96-well format were used.For competition studies cell membranes were homogenated in Tris-HCl 50 mM, EDTA 5 mM, pH 7.4 and added to the microplate at the concentration of approximately 15 μg/well. Membrane suspensions were incubated with test compounds for 15 min at 25° C. and binding reaction was initiated by the addition of the specific H4 radioligand [PH] histamine at a final concentration of 5-8 nM (KD=11.1 nM; Bmax=4,13 pmol/mg protein). Non specific binding was defined using 10 μM unlabeled histamine and the total incubation volume was 275 μl per well.Incubations were performed under gentle agitation at 25° C. for 60 min and concluding with a rapid vacuum filtration using pre-soaked filters (0.5% polyethylenimine). After ten rapid washes with cold wash buffer (50 mM Tris-HCl buffer) the filter plates were dried at room temperature for 30 min.Finally, scintillation liquid (Microscint 20) was added to the whole microplate in order to measure the radioactivity reattained on the filters using a specific scintillation counter (Top Count—NXT). Curve analysis and values of IC50 were determined using Grap Pad Prism program (GraphPad Software, San Diego, USA).Test compounds were initially evaluated at one concentration (1 μM) and thereafter if significant displacement was observed (>40%) a concentration-response curve was conducted. Each test concentration was measured in triplicate.
4006	2	Affinity for histamine H1-receptor was determined by H1 Binding assay	Membranes form CHO-K1 cells transfected with human H1 receptor and microplates of 96-well format were used.For competition studies cell membranes were homogenated in 50 mM phosphate buffer (Na2HPO4 and KH2PO4 mixed to pH 7.4 at 25° C.) and added to the microplate at the concentration of approximately 5 μg/well. Membrane suspensions were incubated with test compounds for 15 min at 25° C. and binding reaction was initiated by the addition of the specific H1 radioligand [PH]pyrilamine at a final concentration of 0.75 nM (KD=1.9 nM: Bmax=16.1 pmol/mg protein). Non specific binding was defined using 10 μM unlabeled pyrilamine and the total incubation volume was 275 μl per well.Incubations were performed until gentle agitation at 25° C. for 60 min and concluding with a rapid vacuum filtration using pre-soaked filters (5% polyvinylpyrrolidone). After ten rapid washes with cold wash buffer (50 mM phosphate buffer) the filter plates were dried at room temperature for 30 min.Finally, scintillation liquid (Microscint 20) was added to the whole microplate in order to measure the radioactivity retained on the filters using an specific scintillation counter (Top Count—NXT). Curve analysis and values of IC50 were determined using Grap Pad Prism program (GraphPad Software, San Diego, USA).Test compounds were initially evaluated at one concentration (1 μM) and thereafter if significant displacement was observed (>40%) a concentration-response curve was conducted. Each test concentration was measured in triplicate.
4007	1	RFMS Human PAD4 Functional Assay	Final top concentration of compound in the assay is 50 μM. Final assay conditions were as follows:Reaction volume: 26 μlAssay buffer: 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 μM Calcium, and 5 μM TPENFinal concentrations: 5 nM hPAD4 enzyme, 250 μM BAEE, and 0.5% DMSOTotal incubation time: 30 mins compound and enzyme preincubation at 37° C., 90 min enzyme/substrate reaction, 30 min reaction with phenyl glyoxal at 37° C.Stop solution: 40 μl 5% TCA in ACN0.13 μL of compound solution was added to 13 μL of 10 nM PAD4 in assay buffer. After 30 min 13 μl of 500 μM of BAEE was added in 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 μM Calcium, 5 μM TPEN was added and the reaction incubated for 90 min at 37° C. The enzymatic reaction was quenched by addition of 15 μl of 6.1N TCA, 100% Final Concentration is 20%, 35 μl of 8.5 mM phenyl glyoxal (final concentration 4 mM) is then added and the reaction is incubated for 30 min at 37° C.
4025	1	JAK1, JAK2, and JAK3 Enzymatic Assays	The JAK1/JAK2 potency ratio, defined as the inverse ratio of IC50 values for JAK1 over JAK2, is about at least 30, and in some cases 50 to 85 or more. The JAK1/JAK3 potency ratio, defined as the inverse ratio of IC50 values for JAK1 over JAK3, is about at least 3, and in some cases 40 to 70 or more.The assay results demonstrate significantly lower IC50 values for JAK1 inhibition, which shows the selectivity of compounds of Formula I for JAK1 over JAK2 and JAK3, and provide a basis for determining whether a more selective biochemical profile will translate into an improved clinical profile by sparing the JAK2 or JAK-dependent cellular pathways.The JAK enzymatic assay used the following reagents.JAK1 (BPS Bioscience, San Diego, CA Cat.No. 40449)JAK2 (Carna Bio, USA, Inc. Natick, MA, Cat.No. 08-045)JAK3 (Carna Bio, USA, Inc. Natick, MA, Cat.No. 08-046)TYK2 (Carna Bio, USA, Inc. Natick, MA, Cat.No 08-147)Peptide FAM-P22 (GL Biochem, Cat. No. 112393)Peptide FAM-Pep D (GL Biochem, Cat No.358783)Peptide FAM-P30 (GL Biochem, Cat. No. 263631)ATP (Millipore Sigma, Cat. No. A7699-1G, CAS No. 987-65-5)DMSO (Millipore Sigma, Cat. No. D2650)EDTA (Millipore Sigma, Cat. No. E5134, CAS No. 60-00-4)Brij-35 [Sigma, Cat. No. B4184]96-well plate (Corning, Corning, NY, Cat. No. 3365)384-well plate (Corning, Corning, NY, Cat. No. 3573)Oclacitinib [HUIFEIChem (WuXi) PharmaTech Co. Ltd., Batch No.: D0228-W-0814-1]Tofacitinib (Med Chem Express, Monmouth Junction, NJ, Cat. No. HY-40354)Filgotinib [MCE, Cat. No. HY-18300]Preparation of assay plate. Each sample or reference compound was diluted to 50× the desired highest inhibitor concentration with DMSO. Each sample or reference compound was serially diluted using a 96-well source plate so that there were 10 concentrations for testing. 10 μL from each well of the source plate was transferred to a 96-well intermediate plate. To each well of the intermediate plate was added 90 μL of the 1× kinase buffer (50 mM HEPES, pH 7.5, 0.0015% Brij-35) and the intermediate plates were shaken on a shaker for 10 min. 5 μL from each well of the 96-well intermediate plate was transferred to a 384-well plate.Kinase reaction. 10 μL of 2.5× enzyme solution (([enzyme in 1× kinase base buffer) was added to the respective well of the assay plate The assay plate was incubated at room temperature for 10 minutes. 10 μL of 2.5× peptide solution (FAM-labeled peptide and ATP in 1× kinase base buffer) was added to the respective well of the assay plate. The kinase reaction proceeded for 28° C. for 60 min followed by the addition of 25 μL of stop buffer. The data was collected using the CALIPER program. The conversion data from the CALIPER program was converted to inhibition values as follows: % inhibition=(maximum conversion)/(max−min)*100. The term “max” refers to the DMSO control and “min” stands for low control. Curve-fitting of the data was performed using Xlfit excel add-in version 5.4.0.8 to obtain IC50 values. 
4026	1	In Vitro Activity Assay	Table 1: 1. In Vitro Evaluation of Inhibitory Activity of Compounds Disclosed Herein Against MNK2 Protein KinasePurpose of experiment: to test the inhibitory activity of the compounds against MNK2 protein kinaseExperimental materials: assay buffer: 8 mM 3-(N-morpholino)propanesulfonic acid, 0.2 mM disodium ethylenediaminetetraacetate, 0.01% polyoxyethylene lauryl ether, 5% glycerol, 0.1% β-mercaptoethanol and 1 mg of bovine serum albuminExperimental operation: Mnk2 protein kinase inhibitory activity assays were performed using the KinaseProfiler™ service from Eurofins Pharma Discovery Services UK Limited. Serially diluted DMSO solutions containing the compounds to be tested (3-fold serial dilution, starting from 10 μM), MNK2 (h) protein kinase and 0.33 mg/mL myelin basic protein were added to a freshly prepared buffer (pH 7.0), and then stirred homogeneously. The reaction was initiated by adding a mixture of 33P-ATP (intensity of radioactivity: 10 μCi/μL) and 10 mM magnesium acetate. After the resulting mixture was reacted at room temperature for 40 min, the reaction was terminated by adding phosphoric acid to dilute to a concentration of 0.5%. 10 μL of the reaction solution was filtered using a P30 filtermat, and then the filtermat was washed four times with 0.425% phosphoric acid for 4 min each, followed by washing once with methanol. After drying, the intensity of radioactivity was determined using the Filter-Binding method.
4026	2	In Vitro Evaluation of Inhibitory Activity Assay	Table 2: In Vitro Evaluation of Inhibitory Activity of Compound Disclosed Herein Against MNK1 Protein KinasePurpose of experiment: to test the inhibitory activity of the compound against MNK1 protein kinaseExperimental materials: assay buffer: 20 mM 4-hydroxyethylpiperazine ethanesulfonic acid (pH 7.5), 10 mM magnesium chloride, 1 mM ethylene glycol-bis-(2-aminoethylether)-N,N,N′,N′-tetraacetic acid, 0.02% polyoxyethylene lauryl ether, 0.02 mg/mL bovine serum albumin, 0.1 mM sodium vanadate, 2 mM dithiothreitol, and 1% DMSO.Experimental operation: Mnk1 protein kinase inhibitory activity assays were performed using the Kinase HotSpot Profiling service from Reaction Biology Corp. The substrate was added to a freshly prepared buffer, followed by addition of MNK1 (h). The mixture was stirred homogeneously. Serially diluted DMSO solution containing the compounds to be tested (3-fold serial dilution, starting from 3 μM) was added by using Echo550, and then 33P-ATP (final intensity of radioactivity: 0.01 μCi/μl) was added to initiate the reaction. The mixture was pre-incubated at room temperature for 120 min. The resulting reaction solution was filtered using P81 ion exchange paper (Whatman #3698-915), which was then washed with 0.75% phosphoric acid. The concentration of the radioactive phosphorylated substrate remaining on the filter paper was measured.The protein kinase inhibitory activity of the compound was expressed as a percentage of the residual protein kinase activity relative to the blank substrate (DMSO alone). The Prism4 software package (GraphPad) was used to calculate the IC50 value and fit the curve.
4039	1	Primary Assay Used to Determine Potency of SARS-CoV2-Mpro Enzymatic Activity Inhibition	(1) Deliver 2× Enzyme(2) Deliver buffer into No Enzyme wells(3) Deliver compounds in 100% DMSO by using Acoustic technology (Echo550; nanoliter range)(4) Incubate for 20 min(5) Deliver 2× Substrate to initiate the reaction(6) Spin & shake, start measuring in EnVision at rt; 5 min interval for 25 (2 hours)(7) Analyze data by taking slope (signal/time) of linear portion of measurement(8) Slope is calculated by using Excel, and curve fits are performed using Prism software.
4334	1	Counterscreen for inhibitors of PP5: fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 1 (PP1)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3XIC50 PP5 DRUN Counterscreen Name: Counterscreen for inhibitors of PP5: fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 1 (PP1). Description: Numerous essential biological processes, including transcription and mitosis require the kinase-mediated phosphorylation of target proteins at serine and threonine residues, which leads to activation, inactivation, degradation, or subcellular relocalization of the specific target. The actions of these kinases are opposed by the serine/threonine phosphoprotein pho
4335	1	Fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 5 (PP5)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3X%IC50 DRUN Name: Fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 5 (PP5). Description: Numerous essential biological processes, including transcription and mitosis require the kinase-mediated phosphorylation of target proteins at serine and threonine residues, which leads to activation, inactivation, degradation, or subcellular relocalization of the specific target. The actions of these kinases are opposed by the serine/threonine phosphoprotein phosphatases (PPPs). Although much is known about serine/
4336	1	SAR Analysis of Selective Antagonists of GPR55 using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG)  Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA)  Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University, Durham, NC Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay was used as a counter screen for hits originally identified in a high-content screen for antagonists of the GPR35 receptor "Image-based HTS for Selective Antagonists of GPR35" (AID 2058) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are ei
4338	1	Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 1 (PP1)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP1_INH_FLINT_1536_3XIC50 DRUN Name: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 1 (PP1). Description: Numerous essential biological processes, including transcription and mitosis require the kinase-mediated phosphorylation of target proteins at serine and threonine residues, which leads to activation, inactivation, degradation, or subcellular relocalization of the specific target. The actions of these kinases are opposed by the serine/threonine phosphoprotein phosphatases (PPPs). Although much is known about s
4339	1	Mode of action - current amplitude concentration response for ztz240, a potentiator of KCNQ2 potassium channels	Data Source: Johns Hopkins Ion Channel Center  BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number:  1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Zhaobing Gao Ph.D., Wei Wang Ph.D., Haibo Yu Ph.D., Meng Wu Ph.D., Shunyou Long M.S., Amy Scott, Beiyan Zou Ph.D., Joseph Babcock, Bill Shi Ph.D., David Meyers Ph.D., Jia Xu Ph.D. Name: Mode of action - current amplitude CRC assay for ztz240, a compound that potentiates KCNQ2 potassium channels  Description: See the related primary assay (PubChem AID: 2239).
4340	1	SAR Analysis of Antagonists of the MOR Receptor using an Image-Based Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human mu opioid receptor (MOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of
4341	1	Counterscreen for inhibitors of PP1: fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 5 (PP5)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Richard Honkanen, University of South Alabama Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH085702-01A1 Grant Proposal PI: Richard Honkanen, University of South Alabama External Assay ID: PP5_INH_FLINT_1536_3XIC50 PP1 DRUN Counterscreen Name: Counterscreen for inhibitors of PP1: fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Protein Phosphatase 5 (PP5). Description: Numerous essential biological processes, including transcription and mitosis require the kinase-mediated phosphorylation of target proteins at serine and threonine residues, which leads to activation, inactivation, degradation, or subcellular relocalization of the specific target. The actions of these kinases are opposed by the serine/threonine phosphopro
4343	1	Discovery of novel allosteric modulators of the M1 muscarinic receptor: PAM Calcium Assay Dose-Response with M3	Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer&#39;s disease, schizophrenia and a number of other CNS disorders.  Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display different modes of activity on downstream receptor signaling.  Thus, all allosteric M1 activation is not equivalent, and additional tool compounds representing diverse chemotypes are required to truly dissect and study M1 function in the CNS.
4344	1	Mode of action - deactivation constant concentration response for ztz240, a potentiator of KCNQ2 potassium channels	Data Source: Johns Hopkins Ion Channel Center  BioAssay Type: Mode of Action, Electrophysiology Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number:  1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Zhaobing Gao Ph.D., Wei Wang Ph.D., Haibo Yu Ph.D., Meng Wu Ph.D., Shunyou Long M.S., Amy Scott, Beiyan Zou Ph.D., Joseph Babcock, Bill Shi Ph.D., David Meyers Ph.D., Jia Xu Ph.D. Name: Mode of action - deactivation constant  CRC assay for ztz240, a compound that potentiates KCNQ2 potassium channels  Description: See the related primary assay (PubChem AID: 2239).
4345	1	SAR analysis of compounds that inhibit NOD1 - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory diso
4346	1	Absorbance Microorganism-Based Dose Response Followup to Identify Inhibitors of Streptokinase Expression.	Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50   Assay Overview:   The goal of this assay is to identify compounds that specifically reduce streptokinase expression without inhibiting cell growth.  Active compounds from the primary screen were tested in 6-point, 3-fold dilution doses with starting concentration at 15 uM as follows.  GAS UMAA2166 at OD600 equal to 0.015 were plated onto 384-well plates (Corning 3570) and incubated with test compounds in Todd-Hewitt Broth medium supplemented with 100 ug/ml of streptomycin for 6 hours before cells were pelleted.  Supernatant of cells was removed and tested for SK activity by measuring activation of plasminogen in an absorbance-based assay as described in the Protocol section.  Cell pellets were assayed for viability by BacTiterGlo reagent (Promega G8233).  Normalized SK activity values were generated by dividing values of SK activity by the values of viability reading, and used
4347	1	SAR analysis of compounds that inhibit NOD2 - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory disor
4348	1	SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01MH085708-01 Assay Provider: Dr. Lawrence Barak, Duke University   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay is developed and performed to confirm activity of hits originally identified in a high-content screen for antagonists of the GPR35 receptor, "Image-Based HTS for Selective Antagonists of GPR35" (AID 2058) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial
4349	1	SAR analysis of inhibitors of TNFa specific NF-kB induction - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), a canonical NF-kB inducer, and is designed for identification of hits specific to TNFa-modulated pathways.  We utilized this assay to assess selectivity of hits emerging from the primary screening of the library in NOD1- and NOD2-specific assays (AIDs 1578 and 1566). The HEK-293-T NF-kB-Luc cell line designed for luminescent detection of NF-kB induction was utilized in this assay. This dose response assay is developed and performed to confirm hits originally identified in "uHTS luminescence assay f
4350	1	HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNF-a), a canonical NF-kB inducer, and is designed for identification of hits specific to TNF-a-modulated pathways. We utilized this assay to assess selectivity of hits emerging from the primary screening of the library in NOD1- and NOD2-specific assays (AIDs 1578 and 1566). The HEK-293-T NF-kB-Luc cell line designed for luminescent detection of NF-kB induction was utilized in this assay.  This assay is the dose response follow-up to "HTS assay for identification of inhibitors of TNF-a-specific NF-kB induc
4351	1	SAR analysis of small molecule inhibitors of Mint-PDZ and N-type Ca2+ channel carboxyl-terminal peptide association using HTRF	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the primary standard of care for the treatment of chronic pain.  Unfortunately, patients develop tolerance to opiates due to desensitization of the opiate receptor.  Thus, alternative anti-nociceptive ("pain killing") pathways need to be explored for treatment of chronic pain.  The N-type voltage-gated Ca2+ channels (CaV2.2s) in dorsal root ganglia neurons is a well validated target for chronic pain (1, 2). We previously demonstrated the interaction between CaV2.2 and the first PDZ domain of molecula
4352	1	SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of the kappa opioid receptor via a
4353	1	SAR Analysis of Agonists of the MOR Receptor using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human mu opioid receptor (MOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of th
4354	1	SAR Analysis of Agonists of the DOR Receptor using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human delta opioid receptor (DOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of
4355	1	SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute  Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of the kappa opioid receptor via a lum
4356	1	SAR analysis of small molecule agonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addicti
4357	1	SAR analysis of Muramyl dipeptide (MDP) induced IL-8 secretion in MCF-7/NOD2 cells - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets. In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. The NOD proteins participate in the signaling events triggered by host recognition of specific motifs (mostly, murope
4358	1	SAR analysis of Tumor necrosis factor alpha (TNF-alpha) induced IL-8 secretion in MCF-7/NOD1 cells - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets. In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. The NOD proteins participate in the signaling events triggered by host recognition of specific motifs (mostly, murope
4359	1	SAR analysis of GM-Tri-DAP induced IL-8 secretion in MCF-7/NOD1 cells - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Screening Centers Network (MLSCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases. The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets. In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. The NOD proteins participate in the signaling events triggered by host recognition of specific motifs (mostly, murope
4361	1	Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3XIC50_HEK/293 Name: Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50 Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for host defense (2). Generation o
4363	1	Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Xanthine Oxidase	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_LUMI_96_3X%IC50_Xanthine Oxidase Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Xanthine Oxidase Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorous acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner f
4364	1	G6DPH counterscreen for TbHK1 inhibitors - Analogues series	Excerpt from MH082340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African sleeping sickness in man, annually infects ~500,000 people in sub-Saharan Africa, leading to 50,000-70,000 deaths per year.  Glucose metabolism is essential for the parasite, with the pathogenic lifestage of the parasite, the bloodstream form (BSF), acquiring energy exclusively through glycolysis.   Hexokinase (HK), the first enzyme in glycolysis, catalyses the transfer of the phosphoryl group of ATP to glucose yielding glucose-6-phosphate.  Several lines of experimental evidence confirm that HK activity is essential to T. brucei.  First, RNA interference (RNAi) of HK in BSF parasites is lethal (see below and (Albert et al., 2005)).  Also, attempts to generate knockouts have been unsuccessful (below and (Albert et al., 2005)).  Last, specific inhibitors of TbHK activity have been developed that are trypanocidal, albeit at high concentrations
4366	1	Confirmation dose response assay for compounds that inhibit/block inward-rectifying potassium ion channel Kir2.1	Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Elena Makhina Ph.D., University of Pittsburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA026212-01 Grant Proposal PI: Elena Makhina Ph.D., University of Pittsburgh Assay Implementation: Meng Wu Ph.D., Shunyou Long M.S., Haibo Yu Ph.D., Hao-ran Wang Ph.D., Bill Shi Ph.D., David Meyers Ph.D., and Jia Xu Ph.D. Name: Confirmation dose response assay for compounds that inhibit/block inward-rectifying potassium ion channel Kir2.1. Description:  See the related essay (PubChem AID: 1672).
4367	1	Mode of action assay-Automated electrophysiology assay of compounds that potentiate KCNQ2 potassium channel	BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number:  1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Haibo Yu Ph.D, Bill Shi Ph.D., David Meyers Ph.D., Jia Xu Ph.D. Name: Mode of action assay-Automated electrophysiology assay of compounds that potentiate KCNQ2 potassium channel Description: See the related assay (PubChem AID:2239).
4368	1	Dosage response for compounds that protect hERG from block by proarrhythmic agents using manual patch clamp	Data Source: Johns Hopkins Ion Channel Center  BioAssay Type: Mode of action, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03MH084820-01 Grant Proposal PI: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Assay Implementation: Dr. Sabina Kupershmidt, Vanderbilt University Medical Center Name: Dosage response for compounds that protect hERG from block by proarrhythmic agents using manual patch clamp  Description: See the related bioassay (AID: 1511). Principle of the assay Patch clamp is gold standard to measure channel activities. Upon depolarization of cells expressing potassium channels, in this case, human ether-a-go-go-related g
4369	1	Discovery of Novel Allosteric Modulators of the M1 Muscarinic Receptor:  PAM Calcium Assay SAR	Assay Provider: P. Jeffery Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 Muscarinic receptor Grant Number: 1 R03 MH077606-01 Selective M1 activation is an attractive therapeutic approach for the treatment of cognitive impairment, Alzheimer&#39;s disease, schizophrenia and a number of other CNS disorders.  Until recently, no highly selective M1 activators existed, and those that claimed to be highly M1 selective were either not centrally penetrant or possessed significant ancillary pharmacology which prohibited their use as probes to study M1 receptor function. We have identified that different M1 PAM chemotypes display different modes of activity on downstream receptor signaling.  Thus, all allosteric M1 activation is not equivalent, and additional tool compounds representing diverse chemotypes are required to truly dissect and study M1 function in the CNS.
4370	1	Dose response of Retigabine-insensitive compounds that potentiate KCNQ2 potassium channel	Name: Dose response of Retigabine-insensitive compounds that potentiate KCNQ2 potassium channel BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number:  1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Haibo Yu Ph.D, Bill Shi Ph.D., David Meyers Ph.D., Jia Xu Ph.D. Name: Dose response of Retigabine-insensitive compounds that potentiate KCNQ2 potassium channel Description: See the related assay (PubChem AID:2239).
4372	1	SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro dose response studies - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of this project is to
4373	1	SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate methyl-fluo
4374	1	Absorbance Microorganism Dose Retest to Identify Inhibitors of Vibrio harveyi	Keywords: Quorum Sensing,Auto-inducer 2(AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,luciferase,Luminescence Assay Overview:  A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists.  Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed  based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which either antagonize the LuxPQ receptor or inhibit LuxS synthase.  Such inhibitors should not perturb growth (observed by optical density) nor the constitutive on quorum sensing (observed by luminescence).
4375	1	Luminescence Microorganism-Based Dose Retest to Identify Modulators of the AI-2 Quorum Sensing System	Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview:  A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules.  Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed  based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which either antagonize the LuxPQ receptor or inhibit LuxS synthase.  Such inhibitors should not perturb growth (observed by optical density) but should perturb quorum sensing (observed by luminescence)
4376	1	Absorbance Microorganism-Based Dose Retest to Identify Inhibitors of Vibrio harveyi	Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview:  A modified strain of Vibrio harveyi with only the AI-2 quorum sensing system intact will be exposed to small molecules.  Growth of the organism post exposure will be followed using optical density and disruption of quorum sensing will be observed  based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which either antagonize the LuxPQ receptor or inhibit LuxS synthase.  Such inhibitors should not perturb growth (observed by optical density) but should perturb quorum sensing (observed by luminescence)
4377	1	Luminescence Microorganism Dose Retest to Identify Inhibitors of the AI-2 Quorum Sensing System	Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain of Vibrio harveyi with constitutive on quorum sensing system will be exposed to small molecules identified from the HTS screen used to identify LuxS inhibitors and LuxPQ antagonists.  Growth of the organism post exposure will be followed using optical density and disruption of down stream quorum sensing elements will be observed  based on decreased luminescent signal. Expected Outcome: Identification of AI-2 quorum sensing system inhibitors with modes of action which either antagonize the LuxPQ receptor or inhibit LuxS synthase.  Such inhibitors should not perturb growth (observed by optical density) nor the constitutive on quorum sensing (observed by luminescence).
4378	1	Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically RPL19A based on MLPCN hits	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although the signaling events up- and downstream of TORC2 (which regulates spatial aspects of growth) have yet to be elucidated in detail, it is well established that TORC1 is a central hub of a signaling network that couples cues from hormones and growth
4379	1	Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically MEP2 based on MLPCN hits	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although the signaling events up- and downstream of TORC2 (which regulates spatial aspects of growth) have yet to be elucidated in detail, it is well established that TORC1 is a central hub of a signaling network that couples cues from hormones and growth
4380	1	Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically AGP1 based on MLPCN hits	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although the signaling events up- and downstream of TORC2 (which regulates spatial aspects of growth) have yet to be elucidated in detail, it is well established that TORC1 is a central hub of a signaling network that couples cues from hormones and growth
4381	1	Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically CIT2 based on MLPCN hits	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although the signaling events up- and downstream of TORC2 (which regulates spatial aspects of growth) have yet to be elucidated in detail, it is well established that TORC1 is a central hub of a signaling network that couples cues from hormones and growth
4382	1	Dose Response of TOR pathway GFP-fusion proteins in Saccharomyes cerevisiae specifically LAP4 based on MLPCN hits	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  PI: Maggie Werner-Washburn Center PI: Larry Sklar Assay Implementation: Jun Chen, Chris Allen, Susan Young, Anna Waller, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although the signaling events up- and downstream of TORC2 (which regulates spatial aspects of growth) have yet to be elucidated in detail, it is well established that TORC1 is a central hub of a signaling network that couples cues from hormones and growth
4384	1	Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: VIM-2NITRO_INH_EPIABS_1536_3XIC50 COMMON Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents
4385	1	Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: TEM-1NITRO_INH_EPIABS_1536_3XIC50 COMMON CSDRUN Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), ag
4386	1	Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Peter Hodder, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS059451-01 Fast Track Grant Proposal PI: Peter Hodder, TSRI External Assay ID: IMP-1NITRO_INH_EPIABS_1536_3XIC50 COMMON Name: Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase. Description: The emergence of gram-negative bacteria that exhibit multi-drug resistance, combined with the paucity of new antibiotics, poses a public health challenge (1). The production of bacterial beta-lactamase enzymes, in particular, is a common mechanism of drug resistance (2-4). The beta-lactamases evolved from bacteria with resistance to naturally-occurring beta-lactams or penams (5), agents
4387	1	TR-FRET-based biochemical high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: NR2E3_AG_TR-FRET_1536_3XIC50 Name: TR-FRET-based biochemical high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). Description: Nuclear receptors are small molecule- and hormone-regulated transcription factors with discrete DNA-binding and ligand-binding domains, and are essential during development and for maintenance of proper cell function in adults. Small pharmacological compounds that bind to the cleft of the ligand-binding domain could alter receptor conformation and subsequently modify transcription of target genes. Such ligands (agon
4388	1	Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: PPARG-NCOR2_AG_TR-FRET_1536_3XIC50 CSDRUN Name: Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput dose response assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). Description: Nuclear receptors are small molecule- and hormone-regulated transcription factors with discrete DNA-binding and ligand-binding domains, and are essential during development and for maintenance of proper cell function in adults. Small pharmaco
4393	1	Dose Response confirmation of uHTS hits from a small molecule antagonists of the APJ  receptor  via a luminescent beta-arrestin assay	Data Source:  Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford- Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) APJ (angiotensin II receptor-like 1, AGTRL-1 and APLNR). Until the discovery of apelin, APJ was an orphan GPCR. APJ is coupled to Gai, and has been shown in cell culture to inhibit adenylate cyclase. The APJ gene encodes a receptor that most closely resembles the angiotensin receptor AT1. However, the APJ receptor does not bind angiotensin II. Underscoring the emerging importance of the apelin/APJ system, recent studies have shown that apelin reduces the
4394	1	SAR analysis of NF-kappaB dependent luciferase using Doxorucibin as an inducer - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory disorders,
4395	1	SAR analysis of NF-kappaB dependent luciferase using PMA/Ionomycin as an inducer - 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. NF-kB pathway activated by antigen receptors is critical for acquired (as opposed to innate)
4396	1	SAR analysis of NF-kappaB dependent luciferase using DAP as an inducer - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory diso
4397	1	SAR analysis of compounds that inhibit NOD1 - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory diso
4398	1	SAR analysis of compounds that inhibit NOD2 - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA The modulation of immune response activity is one of the major goals in the development of novel therapeutics for auto-immune and inflammatory diseases.  The innate system resides at the intersection of the pathways of microbial recognition, inflammation, and cell death, thereby offering various therapeutic targets.  In this context, NOD1 and NOD2 are of particular interest, since they recognize distinct structures derived from bacterial peptidoglycans and directly activate NF-kB, a central regulator of immune response, inflammation, and apoptosis. Mutations in the NOD1 and NOD2 genes are associated with a number of human inflammatory disor
4399	1	SAR analysis of inhibitors of TNFa specific NF-kB induction - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH084844-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Multiple cellular stimuli acting through various pathways lead to NF-kB induction. The assay described below uses tumor necrosis factor alpha (TNFa), a canonical NF-kB inducer, and is designed for identification of hits specific to TNFa-modulated pathways.  We utilized this assay to assess selectivity of hits emerging from the primary screening of the library in NOD1- and NOD2-specific assays (AIDs 1578 and 1566). The HEK-293-T NF-kB-Luc cell line designed for luminescent detection of NF-kB induction was utilized in this assay. This dose response assay is developed and performed to confirm hits originally identified in "uHTS luminescence a
4400	1	Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056951-01 Grant Proposal PI: James R. Williamson External Assay ID: GLD1_INH_FP_1536_3XIC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of gld-1 protein - TGE RNA interaction. Description:  Post-transcriptional control of gene expression, such as alternative splicing and tissue-specific silencing, allow for great protein diversity (1). The elements in the mRNA 3&#39; untranslated regions (UTRs) influence the expression of genes involved in proliferation and differentiation of stem cells and germ cells (2). These elements are critical during spermatogenesis and oogenesis in hermaphrodite Caenorhabditis elegans nematodes (3). gld-1 (defective
4403	1	Luminescence Cell-Free Homogenous  Dose Retest to Identify Inhibitors of Serine/Threonine Kinase 33 Activity	Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to phosphorylate MBP at ~ 1.5 x Km ATP.  Kinase activity is measured using the ADP Glo Kit (Promega) which converts ADP reaction product into a luminescent signal. Expected Outcome: Inhibitors of STK33 Kinase will cause a decreased luminescent readout.
4404	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS7-Galphao with additional round of SAR compounds.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4405	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS8-Galphao with additional round of SAR compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4406	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS16-Galphao with additional round of SAR compounds	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4407	1	Dose response, multiplexed high-throughput screen for small molecule regulators of RGS family protein interactions, specifically RGS4-Galphao with additional round of SAR compounds.	University of New Mexico Assay Overview: Assay Support: NIH R21NS057014   HTS to identify small molecule regulators of RGS family protein interactions  PI: Richard Neubig, Ph.D. Assay Implementation: Yang Wu Ph.D., Mark Haynes Ph.D., Anna Waller Ph.D., Mark Carter MS Target Team Leader for the Center: Larry Sklar, Ph.D., (lsklar@salud.unm.edu) Assay Background and Significance: Regulators of G protein signaling (RGS) proteins are a diverse set of intracellular proteins that modulate G protein-coupled receptor (GPCR) signaling [Neitzel and Hepler, 2006]. Their diversity is a result of their localized tissue distribution as well as their preferential regulation of a particular subunit of G protein (Galpha) [Zhong and Neubig, 2001; Neubig and Siderovski, 2002]. Following activation by ligand-bound GPCRs, the Galpha subunit undergoes rapid GTP - GDP exchange, and subsequently dissociates from both the GPCR and the G protein beta-gamma subunit (Gbg). Active GTP-bound Galpha (Galpha-GTP)
4408	1	Dose-response primary assay and counterscreen assay for HTS small molecule inhibitors of CHOP to regulate the unfolded protein response to ER stress	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, University of Michigan MLSCN Grant: R03MH084182-01, U54HG003918 Assay Overview Many genetic and environmental diseases result from defective protein folding within the secretory pathway so that aberrantly folded proteins are recognized by the cellular surveillance system and retained within the endoplasmic reticulum (ER). Under conditions of malfolded protein accumulation, the cell activates the Unfolded Protein Response (UPR) to clear the malfolded proteins, and if unsuccessful, initiates a cell death response. Preliminary studies have shown that CHOP is a crucial factor in the apoptotic arm of the UPR; XBP1 activates genes encoding ER protein chaperones and thereby mediates the adaptive UPR response to increase clearance of malfolded proteins.  Inhibition of CHOP is hypothesized to enhance survival by preventing UPR programmed cell death.
4409	1	Biochemcial Assay 	An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.
4409	2	Biochemcial Assay 	An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia esteroclitica phosphatase from Calbiochem.
4410	1	High-throughput FP Assay	To access the ability of compounds to inhibit the catalytic activity of UGM, an HPLC assay was employed.  Inhibition constants were determined by monitoring UGM activity at a single substrate concentration while varying inhibitor concentration. 
4411	2	Malachite Green Assay	A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzyme.
4411	1	FP Assay	Binding competition assay with a fluorescent probe.
4412	1	Enzyme Inhibition Assay	Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex.
4413	1	Enzyme Assay	Inhibition of PI3 kinase by WmC20 derivatives causing a formation of covalent bond between WmC20 derivatives and the target protein.
4414	1	FabH Enzyme Assay	Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radiolabeled 3-ketoacyl-ACP from malonyl-ACP. Mycobacterium tuberculosis FabH assay was done by sustituting malonyl-CoA for MACP.
4415	1	EROD Assay	The ethoxyresorufin-O-deethylase (EROD) assay is used to test the activity of CYP1B1.  
4416	1	Enzymatic Assay	The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.
4417	1	Progesterone Receptor Binding Assay	Competitive binding assay were performed using increasing dose of the contrast agents and fluorescently labeled progesterone as the competitor.  
4418	1	SAR analysis of antagonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute  Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule antagonists of the human cannabinoid receptor type 2 (CB2). The dose response ass
4419	1	SAR analysis of Agonists of the GPR35 Receptor using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI)  Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This dose response assay is developed and performed to evaluate selectivity of hits originally identified in "Image-Based HTS for Selective Agonists for GPR55" (AID 1961) and to study the structure-activity relationship. Compounds are either acquired from commercial sources or synthesized i
4420	1	SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay is developed and performed to evaluate selectivity of hits originally identified in a high-content screen for agonists of the GPR55 receptor, "Image-Based HTS for Selective Agonists of GPR55"(AID 1961) and to study the structure-activity relatio
4421	1	SAR analysis of agonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA)  Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule agonists of the human cannabinoid receptor type 2 (CB2). This dose response assay
4422	1	SAR analysis of antagonists of the Cannabinoid Receptor 1 using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute  Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule antagonists of the human cannabinoid receptor type 1 (CB1).  This dose response a
4427	1	Absorbance Microorganism Dose Response to Identify Inhibitors of Vibrio harveyi	Keywords: Quorum Sensing, LuxPQ receptor, AI-2 Assay Overview:  The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi.  Previously, a primary assay was completed using a strain containing only the AI-2 quorum sensing system intact.  The primary screen could potentially identify inhibitors of the AI-2 synthase LuxS, the AI-2 receptor LuxPQ, or other downstream elements of the pathway.  Subsequent secondary assays and counter screens, such as the current assay, will be used to determine the mode of action of compounds identified in the primary screen.  This current assay uses the strain MM32, a V harveyi line which is null for LuxS, the AI-2 synthetic enzyme, and AI-1 based quorum sensing but which maintains the AI-2 receptor system LuxPQ.  Consequently, this assay uses exogenously supplied AI-2 to determine if compounds antagonize LuxPQ. Expected Outcome:  Compounds which antagonize LuxPQ will inhibit the luminescent signal caused by
4428	1	Luminescence Cell-Free Homogeneous Dose Response to Identify Inhibitors of Lux-S	Keywords: LuxS enzyme, AI-2 Assay Overview:  The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi.  Previously, a primary assay was completed using a strain containing only the AI-2 quorum sensing system intact.  The primary screen could potentially identify inhibitors of the AI-2 synthase LuxS, the AI-2 receptor LuxPQ, or other downstream elements of the pathway.  Subsequent secondary assays and counterscreens such as the current assay will be used to determine the mode of action of compounds identified in the primary screen. Purified LuxS enzyme catalyzes the degradation of s-ribosylhomocysteine (SRH) to dihydroxypentadiene (DPD) and homocysteine.  The homocysteine production is spectraphotometrically detected with Ellman&#39;s reagent. Expected Outcome: Inhibitors of LuxS will decrease the signal observed in the enzymatic assay.
4430	1	Luminescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of Glycogen Synthase Kinase-3 beta  Activity	Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator for several cellular pathways and plays a critical role in metabolism, transcription, development, cell survival, and neuronal functions.  The overall objective is to identify one or multiple series of inhibitors of GSK-3beta with micromolar potency.  We had conducted a primary screen and now this assay is to determine the potency of the screen activities by testing these actives in doses.  Basically, 1.6 ng of GSK3beta (as a GST fusion from BPS Bioscience) was incubated with compounds in doses in the presence of 25 uM of ATP (specific reaction conditions see Protocol) for 60 minutes at ambient temperature in 1536 plates (Aurora 29847).  The kinase activity was measured with ADP-Glo (Promega V9103) and signals were read with Viewlux (PerkinElmer).  Positive control (GW8510 at 20 uM) was included in each plate and used to scale the data in
4432	1	SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1R21NS059403-01 Assay Provider: Dr. Miriam Gochin, Touro University-California, Vallejo, CA The fusion-active conformation of the envelope protein gp41 of HIV-1 consists of an N-terminal trimeric a-helical coiled coil domain, and three anti-parallel C-terminal helices which fold down the grooves of the coiled coil to form a six-helix bundle. Disruption of the six-helix bundle is considered to be a key component of an effective non-peptide fusion inhibitor. This structure forms as a result of a conformational change in gp41, triggered by gp120 and co-receptor binding to host cell receptors. Prevention of six-helix bundle formation has been recognized as an important mechanism for viral fusion inhibition A metallopeptide-based fluorescence assay has been develope
4433	1	Fluorescence Cell-Free Homogeneous Counter Screen to Identify Inhibitors of GFP Chromophore Formation	Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, and SufB proteins. GFP-RecA intein fusion protein, which is purified as the 4-thiopyridine derivative in 8 M urea, can be refolded by dilution and retains full competence to undergo protein splicing upon activation by a thiol reducing reagent. In  primary screenning, the RecA intein splicing activity was followed by GFP fluorescence.  The inhibition of GFP fluorescence could arise either from inhibition from the inhibition of protein splicing or from the inhibition of GFP chromophore formation. In this counter screen, cpds were tested with denatured GFP protein purified as the 4-thiopyridine derivative in 8 M urea  to rule out false positives which interupt GFP chromophore formation. Specifically, 4-thiopyridine modified GFP was incubated with compounds first  in 1536 well plates. the GFP chromophore formation was initiated by addition of
4434	1	Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James R. Williamson, TSRI Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056951-01 Grant Proposal PI: James R. Williamson External Assay ID: HIVREVRRE_INH_FRET_1536_3XIC50 GLD1 DCSRUN Name: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. Description:  Post-transcriptional control of gene expression, such as alternative splicing and tissue-specific silencing, allow for great protein diversity (1). The elements in the mRNA 3&#39; untranslated regions (UTRs) influence the expression of genes involved in proliferation and differentiation of stem cells and germ cells (2). These elements are critical during spermatogenesis and oogenesis in hermaphrodi
4435	1	SAR analysis of small molecule inhibitors of Mint-PDZ and N-type Ca2+ channel carboxyl-terminal peptide association using HTRF - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1 R03 MH085675-01 Assay Provider: Dr Ilya Bezprozvanny, UT Southwestern Medical Center , Dallas, TX Chronic pain (neuropathic pain, inflammatory pain, cancer pain) is a major health problem. Opiate-based drugs, such as morphine and morphine derivatives, are the primary standard of care for the treatment of chronic pain.  Unfortunately, patients develop tolerance to opiates due to desensitization of the opiate receptor.  Thus, alternative anti-nociceptive ("pain killing") pathways need to be explored for treatment of chronic pain.  The N-type voltage-gated Ca2+ channels (CaV2.2s) in dorsal root ganglia neurons is a well validated target for chronic pain (1, 2). We previously demonstrated the interaction between CaV2.2 and the first PDZ domain of molecula
4436	1	SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 3	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addictive behavio
4438	1	Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50 Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: Nox1_INH_LUMI_96_3XIC50_HEK/293_Set 2 Name: Late stage results from the probe development effort to identify inhibitors of NOX1: HEK/293 IC50 Set 2 Description:  Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for host defense (2).
4440	1	Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Xanthine Oxidase Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: Nox1_INH_LUMI_96_3X%IC50_Xanthine Oxidase_Set 2 Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Xanthine Oxidase Set 2 Description:  Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-depend
4441	1	Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity	Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, and SufB proteins. GFP-RecA intein fusion protein, which is purified as the 4-thiopyridine derivative in 8 M urea, can be refolded by dilution and retains full competence to undergo protein splicing upon activation by a thiol reducing reagent. For primary screening, RecA  intein fusion protein was incubated with compounds first  in 1536 well plates. The RecA intein splicing activity was initiated by addition of  reducing reagent TCEP. GFP fluorescence, produced as a result of protein splicing, was read with fluorescence plate reader. Expected Outcome: Active wells will show a reduced GFP fluorescence intensity due to inhibition of RecA-Intein splicing activity.
4442	1	SAR analysis for the identification of translation initiation inhibitors (eIF4H)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiation phase of translation is a key target for regulation when cells are exposed to various environmental cues (e.g. insulin, amino acid starvation, mitogenic stimulation, hypoxia, etc). As well, translation initiation control is usurped upon viral infection and is deregulated in many human cancers. Over-expression of certain translation factors can lead to malignant transformation and many of the components of the translational apparatus are over-expressed in human cancers. Several tumor su
4443	1	Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Family selectivity: Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: Nox1_INH_LUMI_96_3X%INH_Selectivity_Set 2 Name: Late stage results from the probe development effort to identify inhibitors of (NADPH oxidase 1) NOX1: Family selectivity: Set 2 Description:  Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent
4444	1	Measurement of GPCR-mediated thallium flux through GIRK channels: Dose-Response Testing	Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GIRK channels Grant Number: 1 R03 MH076398-01 The aim of this work was to use high throughput screening of a small molecule library to identify compounds that interact with the alpha2C adrenergic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of alpha2C activation. Compounds were tested at 10uM final concentration against Human Embryonic Kidney (HEK) 293 cells stably expressing endogenous alpha2C and cDNAs for GIRK 1 and GIRK 2. The Hamamatsu FDSS 6000 plate reader was used to collect kinetic fluorescence intensities during treatment with the test compound. The alpha2C agonist UK-14304 (Tocris) was the positive control, and DMSO, the compound vehicle, was used as the negative control.
4445	1	Measurement of GPCR-mediated thallium flux through GIRK channels: Dose-Response with Rauwolscine	Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GIRK channels Grant Number: 1 R03 MH076398-01 The aim of this work was to use high throughput screening of a small molecule library to identify compounds that interact with the alpha2C adrenergic receptor. The assay utilized thallium influx through G-protein Inwardly Rectifying K+ (GIRK) channels as a measure of alpha2C activation. Compounds were tested at 10uM final concentration against Human Embryonic Kidney (HEK) 293 cells stably expressing endogenous alpha2C and cDNAs for GIRK 1 and GIRK 2. The Hamamatsu FDSS 6000 plate reader was used to collect kinetic fluorescence intensities during treatment with the test compound. The alpha2C agonist UK-14304 (Tocris) was the positive control, and DMSO, the compound vehicle, was used as the negative control.
4446	1	High throughput discovery of novel modulators of ROMK K+ channel activity: Analog Library Testing	Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ channel activity Grant Number: R21 NS057041-01 The Renal Outer Medullary Potassium channel (ROMK, Kir1.1) is expressed in the renal tubule where it critically regulates fluid and electrolyte homeostasis (1).  An emerging body of evidence suggests that ROMK could be a target for a novel class loop diuretic that lowers blood pressure while preserving plasma potassium levels (2).  Furthermore, homozygous loss-of-function mutations in the gene encoding ROMK (KCNJ1) cause antenatal Bartter syndrome, a severe salt and water wasting disease in infants (3).  ROMK is thus an important pharmacological target for the management of disease.  Its actual therapeutic value and drugability, however, are unknown due to the lack of small-molecule probes targeting the channel.  The discovery of ROMK modulators will provide important new tools for studying
4447	1	SAR analysis for the identification of translation initiation inhibitors (PABP)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R03MH084835-01 Assay Provider: Jerry Pelletier, Ph.D, McGill University, Montreal, Canada Translation is an essential cellular process whose deregulation is associated with alterations in cell growth, cell cycle progression, and cell death responses. The initiation phase of translation is a key target for regulation when cells are exposed to various environmental cues (e.g. insulin, amino acid starvation, mitogenic stimulation, hypoxia, etc). As well, translation initiation control is usurped upon viral infection and is deregulated in many human cancers. Over-expression of certain translation factors can lead to malignant transformation and many of the components of the translational apparatus are over-expressed in human cancers. Several tumor sup
4448	1	Fluorescence Polarization Cell-Free Homogeneous Dose Retest to Confirm Inhibitors of the LANA Histone H2A/H2B Interaction	Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,cbeauchemin@rics.bwh.harvard.edu,617-525-4256 Keywords: KSHV, LANA, fluorescence polarization, nucleosomes, viral persistence Assay Overview: Screening for inhibitors that reduce or prevent the binding of LANA to the acidic region of the H2A/H2B histone dimer interface.  Synthetic LANA peptide is labeled with an amino terminal FITC fluorophore linked via a beta alanine residue.  The peptide contains the first 23 amino acids of the LANA protein that is essential for binding to the H2A/H2B interface.  Nucleosomes were purifed from chicken Erythrocytes as a source of intact H2A/H2B dimers.  Fluorescence is measured in the S and P planes with a Perkin Elmer Viewlux after 1 hour incubation.   Expected Outcome: Compounds will be identified that inhibit the interaction of LANA 1-23 peptide with purified nucleosomes (containing H2A/H2B histone
4449	1	Dose Response confirmation of uHTS hits from a small molecule inhibitors of LYP via a fluorescence intensity assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute  (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate
4450	1	Fluorescence Cell-Free Homogeneous Counterscreen to Identify Inhibitors of the RanGTP-Importin-beta complex.	Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response,  Assay Overview:  This is a fluorescence resonance energy transfer (FRET)-based biochemical assay used as counterscreen for this project. YIC probe is a protein containing the Importin-beta binding domain of Importin-alpha flanked by cyan fluorescent protein (CFP) and yellow fluorescent protein (YFP). This probe undergoes robust intramolecular FRET that should not be affected by specific hits from primary screen. In this assay, we are looking for compounds do not inhibit FRET signal from YIC probe. The inhibiting potency is assigned by its IC50, Expected Outcome: Active compound will show a reduction of fluorescent ratio (IYFP/ICFP) in a concentration-dependent manner.
4451	1	Dose Response confirmation of uHTS hits from a small molecule inhibitors of LYP via a fluorescence intensity assay using pCAP substrate	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute  (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of th
4452	1	SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1R21NS059403-01 Assay Provider: Dr. Miriam Gochin, Touro University-California, Vallejo, CA The fusion-active conformation of the envelope protein gp41 of HIV-1 consists of an N-terminal trimeric a-helical coiled coil domain, and three anti-parallel C-terminal helices which fold down the grooves of the coiled coil to form a six-helix bundle. Disruption of the six-helix bundle is considered to be a key component of an effective non-peptide fusion inhibitor. This structure forms as a result of a conformational change in gp41, triggered by gp120 and co-receptor binding to host cell receptors. Prevention of six-helix bundle formation has been recognized as an important mechanism for viral fusion inhibition This confirmatory, concentration-response assay has been de
4453	1	Dose Response confirmation of HTS hits from an HePTP Fluorescent Assay using OMFP substrate - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  Th
4454	1	SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate
4455	1	SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro dose response studies - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of this
4456	1	SAR analysis of compounds that inhibit VHR1, Fluorescent Assay - Set 2	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Source Affiliation: Sanford-Burnham Medical Research Institute (San Diego, CA) Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer ce
4457	1	SAR analysis of compounds that inhibit HePTP - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLSCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  Th
4458	1	SAR analysis of small molecule agonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addicti
4459	1	Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) : Activity with human M4	Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo M4 Positive Allosteric Modulator(PAM) Grant Number: MH077607-1  To date, five muscarinic acetylcholine receptor (mAChR) subtypes have been identified (M1-M5) and play important roles in mediating the actions of ACh in the peripheral and central nervous systems. Of these, M1 and M4 are the most heavily expressed in the CNS and represent attractive therapeutic targets for cognition, Alzheimer&#39;s disease, and schizophrenia. In contrast, the adverse effects of cholinergic agents are thought to be primarily due to activation of peripheral M2 and M3 mAChRs. Due to the high sequence homology and conservation of the orthosteric ACh binding site among the mAChR subtypes, development of chemical agents that are selective for a single subtype has been largely unsuccessful, and in the absence of highly selective activators of M4, it has been imp
4460	1	Dose Response of primary screening hit compounds for Identification of VLA-4 Allosteric Modulators	University of New Mexico Assay Overview: Assay Support  Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01  PI:Larry Sklar PhD and Alex Chigaev PhD  Assay Implementation: Peter Simons PhD, Susan Young MS, Yang Wu PhD, Terry Foutz, Stephanie Sedillo, Anna Waller PhD, Mark Carter MS Assay Background and Significance: We have developed a novel ligand induced binding site (LIBS) mAb assay for integrin HTS using phycoerythrin (PE) labeled HUTS-21 mAb. The novel assay is a result of an R01 (HL081062) which has taken advantage of compounds identified through an earlier project X01MH077638 (entitled "MLSCN Assay for Allosteric Regulators of the VLA-4 Integrin") that screened a portion of the MLSMR for allosteric regulators of VLA-4. This approach uses an improved assay to search for novel integrin ligands that block the binding of traditional ligands and do not in themselves induce the LIBS mAb binding site. Molecules of this type are unknown for VLA-4. A
4461	1	Late stage assay provider results from the probe development effort to identify inhibitors of GSTO1: Gel-based activity-based protein profiling (ABPP) IC50	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: GSTO1_INH_FLUO_ABPP_3XIC50 Name: Late stage assay provider results from the probe development effort to identify inhibitors of GSTO1: Gel-based activity-based protein profiling (ABPP) IC50. Description: Glutathione transferases (GSTs) are a superfamily of enzymes that conjugate glutathione to a wide-variety of both exogenous and endogenous compounds for biotransformation and/or removal [1]. Using activity-based proteomic methods, we discovered that glutathione S-tranferase omega (GSTO1) is over-expressed in human cancer cell lines that show enhanced aggressiveness [2], and other studies have implicated GSTO1 in chemotherapeu
4465	1	SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 4	Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addictive behavio
4469	1	Dose Response concentration confirmation of uHTS hits from a small molecule activators of human intestinal alkaline phosphatase via a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4472	1	Late stage assay provider results from the probe development effort to identify inhibitors of protein phosphatase methylesterase 1 (PME-1): Gel-based Activity-Based Protein Profiling (ABPP) IC50 Set 2	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA132630 Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: PME-1_INH_GEL_3XIC50_SET2 Name: Late stage assay provider results from the probe development effort to identify inhibitors of protein phosphatase methylesterase 1 (PME-1): Gel-based Activity-Based Protein Profiling (ABPP) IC50 Set 2 Description: Reversible protein phosphorylation networks play essential roles in most cellular processes. While over 500 kinases catalyze protein phosphorylation, only two enzymes, PP1 and PP2A, are responsible for > 90% of all serine/ threonine phosphatase activity (1). Phosphatases, unlike kinases, achieve substrate specificity through complex subunit assembly and post-translational modifications
4477	1	Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay<not set>	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4478	1	Late stage assay provider results from the probe development effort to identify inhibitors of GSTO1: Gel-based activity-based protein profiling (ABPP) IC50 Set 2	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Benjamin Cravatt, TSRI Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA087660-05 Grant Proposal PI: Benjamin Cravatt, TSRI External Assay ID: GSTO1_INH_FLUO_ABPP_3XIC50_SET2 Name: Late stage assay provider results from the probe development effort to identify inhibitors of GSTO1: Gel-based activity-based protein profiling (ABPP) IC50 Set 2. Description: Glutathione transferases (GSTs) are a superfamily of enzymes that conjugate glutathione to a wide-variety of both exogenous and endogenous compounds for biotransformation and/or removal [1]. Using activity-based proteomic methods, we discovered that glutathione S-tranferase omega (GSTO1) is over-expressed in human cancer cell lines that show enhanced aggressiveness [2], and other studies have implicated GSTO1 in ch
4479	1	High throughput fluorescence intensity-based biochemical assay to screen for small molecule inhibitors of Furin:Concentration-response Confirmation Assays	Official Symbol FURIN and Name: furin (paired basic amino acid cleaving enzyme) [Homo sapiens]  Other Aliases: FUR, PACE, PCSK3, SPC1 Other Designations: FES upstream region; dibasic processing enzyme; dibasic-processing enzyme; furin; furin, membrane associated receptor protein; paired basic amino acid residue-cleaving enzyme; proprotein convertase subtilisin/kexin type 3 Chromosome: 15; Location: 15q26.1 Annotation: Chromosome 15, NC_000015.9 (91411885..91426687) MIM: 136950 ID: 5045 NCBI Reference Sequence: NM_002569.2  GI:20336193 Extracted from the MH080376 proposal submitted by Dr. Nabil Seidah, IRCM, Montreal, Canada; HTS for targets of proprotein convertases Furin, PC5, SKI-1, and PCSK9 Using Cell-Based Assays Introduction: The mammalian subtilisin-like serine proteases comprise the proprotein convertases (PCs) that are implicated in the limited cellular proteolysis of secretory precursor proteins resulting in a diversity of bioactive products, e.g., through zymogen activat
4480	1	Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor	Data Source:  Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) APJ (angiotensin II receptor-like 1, AGTRL-1 and APLNR). Until the discovery of apelin, APJ was an orphan GPCR. APJ is coupled to Gai, and has been shown in cell culture to inhibit adenylate cyclase. The APJ gene encodes a receptor that most closely resembles the angiotensin receptor AT1. However, the APJ receptor does not bind angiotensin II. Underscoring the emerging importance of the apelin/APJ system, recent studies have shown that apelin reduces the extent of atherosc
4481	1	SAR Analysis for the identification of Selective Antagonists of ERK1/2 Activity in GPR35-Overexpressing U2OS Cells	Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01MH085708-01  Assay Provider: Dr. Lawrence Barak, Duke University The aim of this assay was to characterize downstream ERK phosphorylation activity of compounds originally identified in "Image-based HTS for Selective Antagonists of GPR35" (AID 2058). Componds were either acquired from commercial sources or synthesized by the Sanford-Burnham Center for Chemical Genomics. This In-Cell Western assay utilizes a cell line permanently expressing a beta-arrestin GFP biosensor and human GPR35 receptor.  Upon agonist-mediated GPCR activation, ERK1/2 phosphorylation occurs as measured by pERK1/2 antibodies.
4484	1	SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay - Set 5	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.  This high-content imaging assay is developed and performed to confirm activity of hits originally identified in a high-content screen for antagonists of the GPR35 receptor, "Image-Based HTS for Selective Antagonists of GPR35" (AID 2058) and to study the structure-activity
4485	1	SAR Analysis of Selective Antagonists of GPR55 using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG)  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA)  Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University,  formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay was used as a counter screen for hits originally identified in a high-content screen for antagonists of the GPR35 receptor "Image-based HTS for Selective Antagonists of GPR35" (AID 2058)) and to study the structure-activity relati
4488	1	TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: NR2E3_IAG_HTRF_1536_3XIC50 DRUN Name: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. Description:  Nuclear receptors are small molecule- and hormone-regulated transcription factors with discrete DNA-binding and ligand-binding domains, and are essential during development and for maintenance of proper cell function in adults. Small pharmacological compounds that bind to the cleft of the ligand-binding domain could alter receptor conformation and subsequently modify transcription of target genes. Such ligands (agonists and antagonists) have been d
4489	1	Counterscreen for NR2E3 inverse agonists	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Konstantin Petrukhin, Columbia University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061718-01 Fast Track Grant Proposal PI: Konstantin Petrukhin, Columbia University External Assay ID: PPARG-NCOR2_IAG_HTRF_1536_3XIC50 DCSRUN Name: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). Description:  Nuclear receptors are small molecule- and hormone-regulated transcription factors with discrete DNA-binding and ligand-binding domains, and are essential during development and for maintenance of proper cell function in adults. Small pharmacological compounds that bind to the cle
4490	1	SAR analysis of agonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute  Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule agonists of the human cannabinoid receptor type 2 (CB2).  This dose respons
4491	1	SAR analysis of antagonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute  Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule antagonists of the human cannabinoid receptor type 2 (CB2). The dose respon
4492	1	SAR analysis of agonists of the Cannabinoid Receptor 1 using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego)  Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule agonists of the human cannabinoid receptor type 1 (CB1).  This dose response as
4493	1	SAR analysis of Antagonists of the GPR35 Receptor using an Image-Based Assay - Set 6	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute)   Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay is developed and performed to evaluate selectivity of hits originally identified in a high-content screen for antagonists of the GPR55 receptor, "Image-Based HTS for Selective Antagonists of GPR55" (AID 2013) and to study the struct
4494	1	SAR analysis of antagonists of the Cannabinoid Receptor 1 using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego)  Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, Temple University, formerly at California Pacific Medical Center Research Institute Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior. Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse. The cannabinoid receptors (type 1 and 2) are members of the G-protein coupled receptor family and have been found to be involved in alterations in mood and cognition, as experienced by marijuana users. The specific aim of this assay is to identify small molecule antagonists of the human cannabinoid receptor type 1 (CB1). The dose response ass
4495	1	SAR analysis of Agonists of the GPR35 Receptor using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University, formerly at California Pacific Medical Center Research Institute) Addictive behavior stems from abnormal signaling activities in the brain. Thus identification of compounds blocking this modified signaling activity may lead to treatments for addictive behavior. GPR35, a to-date uncharacterized orphan G-Protein Coupled Receptor, is thought to play a role in addiction and has homology to other known receptors of abuse.   This high-content imaging assay is developed and performed to evaluate selectivity of hits originally identified in "Image-based HTS for Selective Antagonists of GPR55" (AID 2013) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired fr
4496	1	SAR Analysis of Selective Antagonists of GPR55 using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG)  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA)  Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01 DA026205-01 Assay Provider: Dr. Mary Abood, (Temple University,  formerly at California Pacific Medical Center Research Institute)   The cannabinoid and endocannabinoid system has been implicated in the pathophysiology of drug dependence and addiction disorders.  GPR55, an orphan G-Protein Coupled Receptor, has been reported to be a cannabinoid receptor, but its status as such remains unresolved due to conflicting results from pharmacological studies.  The goal of the project is to identify small molecule antagonists of GPR55, which may aid in the deorphanization efforts of this receptor and ultimately further the understanding of the role of GPR55 in drug addiction. This high content imaging assay utilizes a cell line permanently expressing
4497	1	A confirmatory biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to quantify activity of synthesized compounds that inhibit the ATPase activity of Tag (3)	Southern Research&#39;s Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Centers Network (MLPCN) Assay Provider: Dr. Jeffery Brodsky, University of Pittsburgh Grant number: 1R03MH084077-01  The oncogenic virus Simian Virus 40 (SV40) is a well-characterized model system to examine the underlying mechanisms of growth control and cancer. SV40 is also closely related to two viruses, JC and BK virus, which infect humans, and result in morbidity and mortality in immuno-compromised patients. Although it is controversial whether SV40 also causes disease in humans, the virus has been found in specific tumors but not in the surrounding tissue. Unlike BKV and JCV, SV40 grows relatively well in mammalian cell culture systems; moreover, ~10% of the population examined in one study has antibodies against SV40, probably because the first polio vaccines were contaminated with this virus. The long-term effects of SV40
4498	1	Late stage assay provider counterscreen results from the probe development effort to identify inhibitors of kruppel-like factor 5 (KLF5)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Vincent Yang, Emory University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1-R03-DA026215-01 Grant Proposal PI: Vincent Yang External Assay ID: KLF5-WESTERN-BLOT_INH_LUMI_3XIC50 MDCSRUN SAR_Round 1 Name: Late stage assay provider counterscreen results from the probe development effort to identify inhibitors of kruppel-like factor 5 (KLF5): chemiluminescence-based western blot assay for inhibitors of KLF5 protein levels. Description:  Transcription factors are essential regulators of transcription that bind DNA to control both the rate and frequency of gene expression (1). Many diseases of cell homeostasis are associated with aberrant transcription factor activity (2). Colon cancer, in particular, is a disease of uncontrolled proliferation of the epithelial cells that line the intestinal
4500	1	HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research  Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham, NC b-galactosidase (b-gal), a hydrolase enzyme that catalyzes the hydrolysis of b-galactosides to monosaccharides is utilized in many different screening technologies involving enzyme reaction coupling and reporter assays, for example DiscoverX  b-Arrestin GPCR  assays such as the APJ Agonist or Antagonist.   This assay was developed and performed as a counterscreen for screening assays that utilize b-gal and a reaction that it catalyzes. By detecting inhibitors and activators of this enzyme, it is possible to attribute activity not to the primary assay in question, but rather to interaction with the method of detection.  References Fowler et al. (1970). "The amino aci
4501	1	Dose Response confirmation of uHTS hits from a small molecule agonists of the APJ receptor via a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) APJ (angiotensin II receptor-like 1, AGTRL-1 and APLNR). Until the discovery of apelin, APJ was an orphan GPCR. APJ is coupled to Gai, and has been shown in cell culture to inhibit adenylate cyclase. The APJ gene encodes a receptor that most closely resembles the angiotensin receptor AT1. However, the APJ receptor does not bind angiotensin II. Underscoring the emerging importance of the apelin/APJ system, recent studies have shown that apelin reduces the extent of atherosclerot
4502	1	Dose Response concentration confirmation of uHTS hits from a small molecule activators of mouse intestinal alkaline phosphatase via a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of IAP is unknown.  The goal of this HTS is to confirm hits in "uHTS Luminescent assay for identificatio
4503	1	Dose Response confirmation of uHTS hits from a small molecule inhibitors of mouse intestinal alkaline phosphatase via a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4504	1	Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR pathway GFP-fusion proteins for Saccharomyes cerevisiae, specifically AGP1	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  Assay Provider: Maggie Werner-Washburne, UNM Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Jun Chen Chemistry Center/ PI:  University of Kansas Specialized Chemistry Center/ Jeff Aube Chemistry Center Lead:  Jennifer Golden, Blake Peterson Assay Implementation:  Jun Chen, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Cristian Bologa, Oleg Ursu, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although t
4505	1	SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligands of the VLA-4 Integrin	University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01   Project Title:  HTS for Identification of VLA-4 Allosteric Modulators (MLPCN)  PI: Larry Sklar Screening Center / PI:  UNM Center for Molecular Discovery / Larry Sklar Chemistry Center / PI:  Vanderbilt Specialized Chemistry Center / Jeff Aube Assay Implementation:  Peter Simons, Yang Wu, Susan Young, Terry Foutz, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Mark Carter, Oleg Ursu, Cristian Bologa Assay Background and Significance: We have developed a novel ligand induced binding site (LIBS) mAb assay for integrin HTS using phycoerythrin (PE) labeled HUTS-21 mAb. The novel assay is a result of an R01 (HL081062) which has taken advantage of compounds identified through an earlier project X01MH077638 (entitled "MLSCN Assay for Allosteric Regulators of the VLA-4 Integrin") that screened a portion of the MLSMR for allosteric regulators of VLA-4 (AIDs 528, 529). The approach described here uses an assay
4506	1	Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological functio
4507	1	Dose Response confirmation of uHTS for the identification of inhibitors of NALP3 in yeast using a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 U01 AI078048 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA NLR family proteins are an important component of the innate immune system of vertebrates.  These proteins possess a nucleotide-binding oligomerization domain, called NACHT, in combination with variable numbers of Leucine-Rich Repeat (LRR) domains that bind molecules produced by pathogens and probably also products of tissue injury. Among the effector mechanisms of NLR family proteins is activation of Caspase-1, which cleaves and activates pro-inflammatory cytokines. We present here a unique primary assay, in which we have reconstituted the mammalian Caspase mediated IL-1 activation pathway consisting of NLRP3 (NALP3), ASC, and Caspase-1 in Saccharo
4508	1	Dose Response confirmation of inhibitors of NALP3 in yeast using a Caspase-1-ASC counter screen	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 U01 AI078048 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA NLR family proteins are an important component of the innate immune system of vertebrates.  These proteins possess a nucleotide-binding oligomerization domain, called NACHT, in combination with variable numbers of Leucine-Rich Repeat (LRR) domains that bind molecules produced by pathogens and probably also products of tissue injury. Among the effector mechanisms of NLR family proteins is activation of Caspase-1, which cleaves and activates pro-inflammatory cytokines. We present here a unique primary assay, in which we have reconstituted the mammalian Caspase mediated IL-1 activation pathway consisting of NLRP3 (NALP3), ASC, and Caspase-1 in Saccharo
4509	1	Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR pathway GFP-fusion proteins for Saccharomyes cerevisiae, specifically MEP2	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  Assay Provider: Maggie Werner-Washburne, UNM Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Jun Chen Chemistry Center/ PI:  University of Kansas Specialized Chemistry Center/ Jeff Aube Chemistry Center Lead:  Jennifer Golden, Blake Peterson Assay Implementation:  Jun Chen, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Cristian Bologa, Oleg Ursu, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although t
4510	1	Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR pathway GFP-fusion proteins for Saccharomyes cerevisiae, specifically RPL19A	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  Assay Provider: Maggie Werner-Washburne, UNM Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Jun Chen Chemistry Center/ PI:  University of Kansas Specialized Chemistry Center/ Jeff Aube Chemistry Center Lead:  Jennifer Golden, Blake Peterson Assay Implementation:  Jun Chen, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Cristian Bologa, Oleg Ursu, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although t
4511	1	Dose Response concentration confirmation of uHTS hits from a small molecule activators of human intestinal alkaline phosphatase via a luminescent assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4512	1	SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists
4513	1	SAR Analysis of Agonists of the MOR Receptor using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human mu opioid receptor (MOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of th
4514	1	Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR pathway GFP-fusion proteins for Saccharomyes cerevisiae, specifically LAP4	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  Assay Provider: Maggie Werner-Washburne, UNM Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Jun Chen Chemistry Center/ PI:  University of Kansas Specialized Chemistry Center/ Jeff Aube Chemistry Center Lead:  Jennifer Golden, Blake Peterson Assay Implementation:  Jun Chen, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Cristian Bologa, Oleg Ursu, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although t
4515	1	SAR Analysis of Agonists of the DOR Receptor using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human delta opioid receptor (DOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of
4516	1	Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR pathway GFP-fusion proteins for Saccharomyes cerevisiae, specifically CIT2	University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01    Project Title:  Chemical Screen of TOR pathway GFP fusion proteins in S. cerevisiae  Assay Provider: Maggie Werner-Washburne, UNM Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Jun Chen Chemistry Center/ PI:  University of Kansas Specialized Chemistry Center/ Jeff Aube Chemistry Center Lead:  Jennifer Golden, Blake Peterson Assay Implementation:  Jun Chen, Stephanie Sedillo, Anna Waller, Annette Evangelisti, Cristian Bologa, Oleg Ursu, Mark Carter Assay Background and Significance: The target of rapamycin, TOR, is a ser/thr protein kinase evolutionarily conserved from yeast to man [Wullschleger, et al. 2006]. TOR functions in two distinct protein complexes, TOR complex 1 (TORC1) and TORC2 [Cafferkey, et al. 1993; Stan, et al. 1994]. Curiously, only TOR in TORC1 is bound and inhibited by the lipophilic macrolide rapamycin [Kunz, et al. 1993; Helliwell, et al. 1998; Zhang, et al. 2006]. Although th
4517	1	SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 5	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to ad
4518	1	SAR Analysis of Antagonists of the DOR Receptor using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human delta opioid receptor (DOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule ago
4519	1	SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay-Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics  Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA)  Network: NIH Molecular Libraries Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule agonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists of the kappa op
4520	1	SAR Analysis of Antagonists of the MOR Receptor using an Image-Based Assay - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human mu opioid receptor (MOR).  This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agoni
4521	1	Dose Response confirmation of uHTS for the identification of inhibitors of NALP1 in yeast using a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 U01 AI078048 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA NLR family proteins are an important component of the innate immune system of vertebrates.  These proteins possess a nucleotide-binding oligomerization domain, called NACHT, in combination with variable numbers of Leucine-Rich Repeat (LRR) domains that bind molecules produced by pathogens and probably also products of tissue injury. Among the effector mechanisms of NLR family proteins is activation of Caspase-1, which cleaves and activates pro-inflammatory cytokines. We present here a unique primary assay, in which we have reconstituted the mammalian Caspase mediated IL-1 activation pathway consisting of NLRP1 (NALP1), ASC, and Caspase-1 in Sacchar
4522	1	Dose Response Confirmation of compounds that inhibit VHR1 in Fluorescent Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Source Affiliation: Sanford-Burnham Medical Research Institute (San Diego, CA) Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix
4523	1	Dose Response confirmation of inhibitors of NALP1 in yeast using a Caspase-1-ASC counter screen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number:  1 U01 AI078048 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA NLR family proteins are an important component of the innate immune system of vertebrates.  These proteins possess a nucleotide-binding oligomerization domain, called NACHT, in combination with variable numbers of Leucine-Rich Repeat (LRR) domains that bind molecules produced by pathogens and probably also products of tissue injury. Among the effector mechanisms of NLR family proteins is activation of Caspase-1, which cleaves and activates pro-inflammatory cytokines. We present here a unique primary assay, in which we have reconstituted the mammalian Caspase mediated IL-1 activation pathway consisting of NLRP1 (NALP1), ASC, and Caspase-1 in Sacchar
4524	1	Dose Response screen for agonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule agonists hits of the APJ receptor	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Number: 1R21NS059422-01 Assay Provider: Dr. Layton Smith, Sanford-Burnham Medical Research Institute Currently there are no small molecule tools to investigate the biological functions of apelin and its receptor. Apelin is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) APJ (angiotensin II receptor-like 1, AGTRL-1 and APLNR). Until the discovery of apelin, APJ was an orphan GPCR. APJ is coupled to Gai, and has been shown in cell culture to inhibit adenylate cyclase. The APJ gene encodes a receptor that most closely resembles the angiotensin receptor AT1. However, the APJ receptor does not bind angiotensin II. Underscoring the emerging importance of the apelin/APJ system, recent studies have shown that apelin reduces the extent of atherosclerot
4525	1	SAR LYP1 Fluorescent Assay using OMFP substrate for In Vitro dose response studies - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research  Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini , La Jolla Institute for Allergy and Immunology CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. This biochemical assay employs a fluorescent readout based on the enzyme&#39;s ability to liberate methyl-fl
4526	1	SAR LYP1 Fluorescent Assay using pCAP substrate for In Vitro dose response studies - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA LYP, is a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling. The PTPN22 gene encodes this phosphatase. A single-nucleotide polymorphism in PTPN22 is associated with a number of autoimmune disorders, including type 1 diabetes, rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus and Grave&#39;s disease. The autoimmunity-predisposing allele is a gain-of-function mutant suggesting that a specific small-molecule inhibitor could eliminate its effect. Finding specific inhibitors of protein phosphatases has proven extremely difficult. The goal of this
4527	1	Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Human Intestinal Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4528	1	Dose Response confirmation of uHTS inhibitors of Human Intestinal Alkaline Phosphatase using Mouse Intestinal Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4529	1	Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Mouse Intestinal Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of IAP is unknown.  The goal of this MLPCN probe project is to identify novel and specific activators of
4530	1	Dose Response confirmation of uHTS inhibitors of Mouse Intestinal Alkaline Phosphatase using Human Intestinal Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological functio
4531	1	Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of IAP is unknown.  The goal of this HTS is to confirm hits in "uHTS Luminescent assay for identificatio
4532	1	Dose Response confirmation of uHTS inhibitors of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4533	1	Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of IAP is unknown.  The goal of this HTS is to confirm hits in "uHTS Luminescent assay for identificatio
4534	1	Dose Response confirmation of uHTS inhibitors of Human Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological functio
4535	1	SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Number:  1R21NS056945-01 Assay Provider: Dr. Nunzio Bottini, La Jolla Institute for Allergy and Immunology, La Jolla, CA PTP-PEST, encoded by PTPN12 gene, is a protein tyrosine phosphatase that contains a C-terminal PEST motif, which serves as a protein-protein interaction domain. This PTP dephosphorylates c-ABL, and may play a role in oncogenesis.  This is a selectivity counterscreen to aid with identification of specific inhibitors of LYP phosphatase (AID 2135). This assay uses a phosphorylated coumarin amino acid (pCAP) moiety attached to a 14-mer peptide, which is a substrate for LYP.  This dose response assay is developed and performed to assess selectivity of hits originally found in "uHTS identification of small molecule inhibitors of LYP via a fluo
4536	1	Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4537	1	Dose Response confirmation of uHTS activators of Human Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4538	1	Dose Response confirmation of uHTS inhibitors of Human Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of I
4539	1	Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sentrin-specific proteases (SENPs) are involved in both the maturation of SUMO precursors (endopeptidase cleavage) and deconjugation of the targets (isopeptidase cleavage) [1-3]. There are seven SENPs (1, 2, 3, 5, 6, 7, 8) in humans, and several of these have been characterized as SUMO (or Nedd8) specific enzymes. SENP8 is not a SUMO protease, instead it functions on a small ubiquitin related protein Nedd8. The objective of this project is to generate small molecule inhibitors specific for
4540	1	Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN)Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sentrin-specific proteases (SENPs) are involved in both the maturation of SUMO precursors (endopeptidase cleavage) and deconjugation of the targets (isopeptidase cleavage) [1-3]. There are seven SENPs (1, 2, 3, 5, 6, 7, 8) in humans, and several of these have been characterized as SUMO (or Nedd8) specific enzymes. SENP8 is not a SUMO protease, instead it functions on a small ubiquitin related protein Nedd8. The objective of this project is to generate small molecule inhibitors specific for SENP8
4541	1	Dose Response confirmation of uHTS inhibitors of Mouse Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network (MLPCN) Grant Proposal Number: X01-MH077602-01 Assay Provider Dr. Jose Luis Millan, Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Alkaline phosphatase (EC 3.1.3.1) (APs) catalyze the hydrolysis of phosphomonoesters, releasing inorganic phosphate and alcohol. APs are dimeric enzymes found in most organisms. In human, four isozymes of APs have been identified. One isozyme is tissue-nonspecific (designated TNAP) and three other isozymes are tissue-specific and named according to the tissue of their predominant expression: intestinal (IAP), placental (PLAP) and germ cell (GCAP) alkaline phosphatases. IAP expression is largely restricted to the gut, especially to the epithelial cells (enterocytes) of the small intestinal mucosa. The exact biological function of
4542	1	Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Luminescent Interference Counterscreen assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN)Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sentrin-specific proteases (SENPs) are involved in both the maturation of SUMO precursors (endopeptidase cleavage) and deconjugation of the targets (isopeptidase cleavage) [1-3]. There are seven SENPs (1, 2, 3, 5, 6, 7, 8) in humans, and several of these have been characterized as SUMO (or Nedd8) specific enzymes. SENP8 is not a SUMO protease, instead it functions on a small ubiquitin related protein Nedd8. The objective of this project is to generate small molecule inhibitors specific for SENP8
4543	1	Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN) Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sentrin-specific proteases (SENPs) are involved in both the maturation of SUMO precursors (endopeptidase cleavage) and deconjugation of the targets (isopeptidase cleavage) [1-3]. There are seven SENPs (1, 2, 3, 5, 6, 7, 8) in humans, and several of these have been characterized as SUMO (or Nedd8) specific enzymes.  The objective of this project is to generate small molecule inhibitors specific for SENP6 (the deSUMOylating enzyme).  1536-well chemiluminescent screening assay utilizes RLRGG-
4544	1	Dose Response confirmation of compounds that inhibit HePTP	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: XO1 MH077603-01 Assay Provider: Dr. Tomas Mustelin, Sanford-Burnham Medical Research Institute Protein tyrosine phosphatases (PTPs), working with protein tyrosine kinases (PTKs), control the phosphorylation state of many proteins in the signal transduction pathways. HePTP is a tyrosine phosphatase expressed in hematopoietic cells and regulates the MAP kinases Erk and p38. It has been found that HePTP is often dysregualted in the preleukemic disorder myelodysplastic syndrome, as well as in acute myelogeneous leukemia. Small molecule inhibitors of HePTP will be useful as molecular probes for studying the mechanism of signal transduction and MAP kinase regulation, and may have therapeutic potential for the treatment of hematopoietic malignancies.  Th
4545	1	SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 4	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network Grant Number: 1X01DA026208-01  Assay Provider: Dr. Lawrance Barak, Duke University, Durham NC Drug addiction is a disease that involves the G-protein coupled receptors in the central nervous system resulting in compulsive or abnormal behavior.  Recent studies have shown that opioid receptors play a role in regulating other receptors that interact with drug and other substance abuse.  The opioid receptors are composed of multiple of multiple receptor subtypes whose contribution the addictive behaviors are not fully delineated. The aim of this assay is to identify small molecule antagonists of the human kappa opioid receptor (KOR). This dose response assay is developed and performed to confirm hits originally identified in "uHTS identification of small molecule agonists
4546	1	SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 6	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network(MLPCN)Grant Number: 1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham NC Drug addiction is a disease originating in the central nervous system that produces compulsive behaviors despite the negative consequences that may result. Major addictive drugs of abuse include components of tobacco, opiates, marijuana, ethanol, cocaine, and derivatives of amphetamines. While the addictive behaviors produced by these substances may be generally similar, the drugs act at different receptor sites in the brain. Recent studies have shown that opioid receptors play a role regulating the addictive behaviors of other receptors that interact with illicit and legal substances of abuse. Opioid receptors are composed of multiple subtypes whose contributions to addi
4547	1	SAR analysis of Antagonists of IAP-family anti-apoptotic proteins - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN)Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed, Sanford-Burnham Medical Research Institute, San Diego, CA This XIAP dose response assay is developed and performed to confirm hits originally identified in the XIAP HTS binding assay (AID 1018) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally.  The assay was performed in the assay providers&#39; laboratory. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibitor of Apoptosis Proteins (IAPs), a famil
4548	1	SAR analysis of Antagonists of XIAP-Bir3 domain of IAP-family anti-apoptotic proteins - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN)Grant Proposal Number: MH081277-01 Assay Provider: John C. Reed,  Sanford-Burnham Medical Research Institute San Diego, CA This dose response assay is developed and performed as a counter screen to compounds in the Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation (AID 1449) and to study the structure-activity relationship on analogs of the confirmed hits. Compounds are either acquired from commercial sources or synthesized internally.  This assay was performed in the assay providers&#39; laboratory. Apoptosis plays an essential role in many aspects of normal development and physiology, becoming dysregulated in myriad diseases characterized by insufficient or excessive cell death. Caspases are intracellular proteases that are suppressed by Inhibit
4549	1	SAR Analysis for the identification of Selective Antagonists of ERK1/2 Activity in GPR35-Overexpressing U2OS Cells - Set 2	Data Source: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1X01MH085708-01  Assay Provider: Dr. Lawrence Barak, Duke University The aim of this assay was to characterize downstream ERK phosphorylation activity of compounds originally identified in "Image-based HTS for Selective Antagonists of GPR35" (AID 2058). Componds were either acquired from commercial sources or synthesized by the Sanford-Burnham Center for Chemical Genomics. This In-Cell Western assay utilizes a cell line permanently expressing a beta-arrestin GFP biosensor and human GPR35 receptor.  Upon agonist-mediated GPCR activation, ERK1/2 phosphorylation occurs as measured by pERK1/2 antibodies.
4550	1	Inhibitors of T-Type Calcium Channel	Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type Channels using FLIPR Grant Number: NS050771-01 T-type Ca2+ channels are also called low voltage-activated channels because they open at voltages near the resting membrane potential of most cells.  In many types of neurons, Ca2+ influx through T-type channels triggers low-threshold spikes, which in turn trigger a burst of action potentials mediated by Na+ channels (1).  Burst firing is thought to play an important role in the synchronized activity of the thalamus observed in absence epilepsy, and also in a wider range of neurological disorders characterized by thalamocortical dysrhythmia (2). Prominent T-currents are also observed in dorsal root ganglion neurons, with subsets of nociceptors expressing more T-current than high voltage-activated Ca2+ currents (3).  Considerable evidence supports the notion that a T-channel antagonist would
4551	1	Intein inhibitors as potential Tuberculosis drugs	Southern Research&#39;s Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Probe Production Centers Network (MLPCN) Assay Provider: Dr. Henry Paulus, Boston Biomedical Research Institute Award: 1 R03 MH087438-01 Tuberculosis (TB) is globally the most widespread infectious disease. Two billion people, one third of the world&#39;s population, are infected with Mycobacterium tuberculosis and 5-10% of these suffer active disease, leading to nearly 3 million deaths annually. The alarming world-wide increase in multidrug-resistant and extensively drug-resistant TB calls for new anti-mycobacterial drugs against new types of targets that are less likely to undergo mutations that lead to drug resistance. This project seeks to identify inhibitors of protein splicing, which is essential for the expression of three genes in M. tuberculosis. Protein splicing inhibitors, by disabling two separate vital functions and at th
4552	1	Counterscreen for procaspase-3 activators: absorbance-based biochemical high throughput dose response assay for activators of procaspase-7	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC)       Affiliation: The Scripps Research Institute, TSRI                   Assay Provider: Paul Hergenrother, University of Illinois at Urbana-Champaign Network:  Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 CA120439-01 Grant Proposal PI: Paul Hergenrother, University of Illinois at Urbana-Champaign External Assay ID: PROCASPASE7_ACT_EPIABS_1536_3XEC50 DCSRUN Name: Counterscreen for procaspase-3 activators: absorbance-based biochemical high throughput dose response assay for activators of procaspase-7. Description:  Cancer progression depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although apoptosis induction using chemotherapeutics is a common anti-cancer treatment, cancer cells often survive because of defects in the pro-apoptotic proteins activated by these drugs (2). The
4553	1	Absorbance-based biochemical high throughput dose response assay for activators of procaspase-3	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC)       Affiliation: The Scripps Research Institute, TSRI                   Assay Provider: Paul Hergenrother, University of Illinois at Urbana-Champaign Network:  Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 CA120439-01 Grant Proposal PI: Paul Hergenrother, University of Illinois at Urbana-Champaign External Assay ID: PROCASPASE3_ACT_EPIABS_1536_3XEC50 DRUN Name: Absorbance-based biochemical high throughput dose response assay for activators of procaspase-3. Description: Cancer progression depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although apoptosis induction using chemotherapeutics is a common anti-cancer treatment, cancer cells often survive because of defects in the pro-apoptotic proteins activated by these drugs (2). The main effector proteins involved in the apopto
4555	1	Fluorescence-based biochemical dose response assay to identify inhibitors of Protein Arginine Deiminase 4 (PAD4)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Paul Thompson, University of South Carolina Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 GM079357-01 Grant Proposal PI: Paul Thompson External Assay ID: PAD4_INH_FLUO_2X%IC50 Name: Fluorescence-based biochemical dose response assay to identify inhibitors of Protein Arginine Deiminase 4 (PAD4). Description: Rheumatoid Arthritis (RA) is a chronic and progressive autoimmune disorder that affects about one percent of the US population (1). Existing therapies treat the symptoms of the disease but not the underlying cause, and are associated with numerous side effects (2). The activity of Protein Arginine Deiminase 4 (PAD4), one of four known active PAD isozymes, is increased in RA; where it is thought to generate a subset of antigens that the immune system recognizes as foreign (
4556	1	SAR Analysis for the identification of selective inhibits of the transient receptor potential cation channel C4 (TRPC4): Automated Electrophysiology	Data Source: Johns Hopkins Ion Channel Center  BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Michael Zhu, Ph.D., Ohio State University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS056942-01 Grant Proposal PI: Michael Zhu, Ph.D., Ohio State University Assay Implementation: Jie Shi, Melissa Miller, Shunyou Long M.S., David Meyers Ph.D., Meng Wu Ph.D., Owen McManus Ph.D. Name: SAR Analysis for the identification of selective inhibitors of the transient receptor potential cation channel C4 (TRPC4): Automated Electrophysiology Description: The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiologcal assays using a QPatch16 automated electrophysiology instrument. Whole cell recordings were
4558	1	Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
4559	1	Inhibitors of T-Type Calcium Channels	Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type Channels using FLIPR Grant Number: NS050771-01 T-type Ca2+ channels are also called low voltage-activated channels because they open at voltages near the resting membrane potential of most cells.  In many types of neurons, Ca2+ influx through T-type channels triggers low-threshold spikes, which in turn trigger a burst of action potentials mediated by Na+ channels (1).  Burst firing is thought to play an important role in the synchronized activity of the thalamus observed in absence epilepsy, and also in a wider range of neurological disorders characterized by thalamocortical dysrhythmia (2). Prominent T-currents are also observed in dorsal root ganglion neurons, with subsets of nociceptors expressing more T-current than high voltage-activated Ca2+ currents (3).  Considerable evidence supports the notion that a T-channel antagonist would
4560	1	Inhibitors of T-Type Calcium Channels (SynthLib1)	Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type Channels using FLIPR Grant Number: NS050771-01 T-type Ca2+ channels are also called low voltage-activated channels because they open at voltages near the resting membrane potential of most cells.  In many types of neurons, Ca2+ influx through T-type channels triggers low-threshold spikes, which in turn trigger a burst of action potentials mediated by Na+ channels (1).  Burst firing is thought to play an important role in the synchronized activity of the thalamus observed in absence epilepsy, and also in a wider range of neurological disorders characterized by thalamocortical dysrhythmia (2). Prominent T-currents are also observed in dorsal root ganglion neurons, with subsets of nociceptors expressing more T-current than high voltage-activated Ca2+ currents (3).  Considerable evidence supports the notion that a T-channel antagonist would
4561	1	Inhibitors of T-Type Calcium Channels (SynthLib2)	Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type Channels using FLIPR Grant Number: NS050771-01 T-type Ca2+ channels are also called low voltage-activated channels because they open at voltages near the resting membrane potential of most cells.  In many types of neurons, Ca2+ influx through T-type channels triggers low-threshold spikes, which in turn trigger a burst of action potentials mediated by Na+ channels (1).  Burst firing is thought to play an important role in the synchronized activity of the thalamus observed in absence epilepsy, and also in a wider range of neurological disorders characterized by thalamocortical dysrhythmia (2). Prominent T-currents are also observed in dorsal root ganglion neurons, with subsets of nociceptors expressing more T-current than high voltage-activated Ca2+ currents (3).  Considerable evidence supports the notion that a T-channel antagonist would
4562	1	Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R03 MH085677-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Tumor Necrosis Factor Receptor-Associated Factors (TRAFs) are a family of adapter proteins that bind an unusual ubiquitin-conjugating enzyme, Ubc13, which produces polyubiquitin chains linked at lysine 63 of ubiquitin. These lysine 63-linked ubiquitin polymers trigger changes in protein activity. Ubiquitination by Ubc13 of TRAFs and the various protein kinases to which TRAFs bind is recognized as a critical step in signaling by TNFRs, TLRs, NLRs, and T-cell and B-cell antigen receptors (TCR/BCR) during innate and acquired immune responses. Since aberrant signaling by these receptor systems is linked to a wide variety of autoimmune, inflammato
4563	1	Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R03 MH085677-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Tumor Necrosis Factor Receptor-Associated Factors (TRAFs) are a family of adapter proteins that bind an unusual ubiquitin-conjugating enzyme, Ubc13, which produces polyubiquitin chains linked at lysine 63 of ubiquitin. These lysine 63-linked ubiquitin polymers trigger changes in protein activity. Ubiquitination by Ubc13 of TRAFs and the various protein kinases to which TRAFs bind is recognized as a critical step in signaling by TNFRs, TLRs, NLRs, and T-cell and B-cell antigen receptors (TCR/BCR) during innate and acquired immune responses. Since aberrant signaling by these receptor systems is linked to a wide variety of autoimmune, inflammato
4564	1	XBP1 DR counterscreen for CHOP	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, University of Michigan MLSCN Grant: R03MH084182-01, U54HG003918 Assay Overview Many genetic and environmental diseases result from defective protein folding within the secretory pathway so that aberrantly folded proteins are recognized by the cellular surveillance system and retained within the endoplasmic reticulum (ER). Under conditions of malfolded protein accumulation, the cell activates the Unfolded Protein Response (UPR) to clear the malfolded proteins, and if unsuccessful, initiates a cell death response. Preliminary studies have shown that CHOP is a crucial factor in the apoptotic arm of the UPR; XBP1 activates genes encoding ER protein chaperones and thereby mediates the adaptive UPR response to increase clearance of malfolded proteins.  Inhibition of CHOP is hypothesized to enhance survival by preventing UPR programmed cell death.
4565	1	Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James Granneman, Wayne State University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061634-01 Grant Proposal PI: James Granneman, Wayne State University External Assay ID: ABHD5-PLIN1_INH_LUMI_1536_3XIC50 2K Name: Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-1 (PLIN1) (2K validation set). Description: Adipocytes are important regulators of vertebrate energy stores, in part through the storage of dietary fat (triglyceride) that is mobilized via lipolysis during fasting states for use by tissues such as heart and skeletal muscle (1, 2). However, in chronic conditions of overnutrition, such as obesity and lipid storage disorders
4566	1	Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James Granneman, Wayne State University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS061634-01 Grant Proposal PI: James Granneman, Wayne State University External Assay ID: ABHD5-MLDP_INH_LUMI_1536_3XIC50 2K Name: Luminescence-based biochemical high throughput dose response assay for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5) (2K validation set). Description: Adipocytes are important regulators of vertebrate energy stores, in part through the storage of dietary fat (triglyceride) that is mobilized via lipolysis during fasting states for use by tissues such as heart and skeletal muscle (1, 2). However, in chronic conditions of overnutrition, such as obesity and lipid storage diso
4567	1	CHOP dose-response primary assay	NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, University of Michigan MLSCN Grant: R03MH084182-01, U54HG003918 Assay Overview Many genetic and environmental diseases result from defective protein folding within the secretory pathway so that aberrantly folded proteins are recognized by the cellular surveillance system and retained within the endoplasmic reticulum (ER). Under conditions of malfolded protein accumulation, the cell activates the Unfolded Protein Response (UPR) to clear the malfolded proteins, and if unsuccessful, initiates a cell death response. Preliminary studies have shown that CHOP is a crucial factor in the apoptotic arm of the UPR; XBP1 activates genes encoding ER protein chaperones and thereby mediates the adaptive UPR response to increase clearance of malfolded proteins.  Inhibition of CHOP is hypothesized to enhance survival by preventing UPR programmed cell death.
4568	1	Dose response counterscreen for dual activators of procaspase-3 and procaspase-7: Absorbance-based biochemical high throughput screening assay to identify activators of procaspase-3	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Paul Hergenrother, University of Illinois at Urbana-Champaign Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 CA120439-01 Grant Proposal PI: Paul Hergenrother, University of Illinois at Urbana-Champaign External Assay ID: PROCASPASE3_ACT_EPIABS_1536_3XEC50 DUAL Name: Dose response counterscreen for dual activators of procaspase-3 and procaspase-7: Absorbance-based biochemical high throughput screening assay to identify activators of procaspase-3. Description: Cancer progression depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although apoptosis induction using chemotherapeutics is a common anti-cancer treatment, cancer cells often survive because of defects in the pro-apoptotic proteins activated by these
4569	1	Dose response assay for dual activators of procaspase-3 and procaspase-7: Absorbance-based biochemical high throughput screening assay to identify activators of procaspase-7	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Paul Hergenrother, University of Illinois at Urbana-Champaign Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 CA120439-01 Grant Proposal PI: Paul Hergenrother, University of Illinois at Urbana-Champaign External Assay ID: PROCASPASE7_ACT_EPIABS_1536_3XEC50 DUAL Name: Dose response assay for dual activators of procaspase-3 and procaspase-7: Absorbance-based biochemical high throughput screening assay to identify activators of procaspase-7. Description: Cancer progression depends upon evasion of the programmed cell death (apoptosis) machinery that normally kills an unneeded or rogue cell (1). Although apoptosis induction using chemotherapeutics is a common anti-cancer treatment, cancer cells often survive because of defects in the pro-apoptotic proteins activated by these drugs (
4570	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4571	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4572	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4573	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4574	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4575	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4576	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4577	1	Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2	Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Gary Bokoch, TSRI Network: Molecular Libraries Probe Production Center Network (MLPCN) Grant Proposal Number: 1 R03 MH083264-01A1 Grant Proposal PI: Gary Bokoch, TSRI External Assay ID: NOX1_INH_RAD_96_Ki_PDSP SCREEN_SET 2 Name: Late-stage radioligand binding dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): PDSP screen Ki Set 2. Description: Host defense mechanisms are diverse and include receptor-initiated signaling pathways, antibody and cytokine production, and the generation of reactive oxygen species (ROS) such as hydroxyl radical and hypochlorus acid to kill microorganisms (1). In activated phagocytic cells, the membrane integrated protein gp91phox serves as the catalytic cytochrome b subunit of the respiratory burst oxidase used to generate superoxide in an NADPH-dependent manner for
4578	1	TR-FRET-based biochemical dose response competitive binding lanthascreen assay for partial agonists of the peroxisome proliferator-activated receptor gamma (PPARg)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Patrick Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: MH079861-01 Grant Proposal PI: Patrick Griffin, TSRI External Assay ID: PPARG_AG_TRFRET_0384_3XIC50 LANTHASCREEN DRUN Name: TR-FRET-based biochemical dose response competitive binding lanthascreen assay for partial agonists of the peroxisome proliferator-activated receptor gamma (PPARg). Description: Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear receptor superfamily and are lipid sensors functioning as ligand-dependent transcription factors regulating gene expression patterns of diverse biological processes (1, 2). PPARs play a critical role in metabolic processes such as glucose metabolism, lipid metabolism, and have been implicated in anti-atherogenic, anti-inflammatory as well
4580	1	Fluorescence-polarization-based biochemical polarscreen dose response binding assay for partial agonists of the peroxisome proliferator-activated receptor gamma (PPARg)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Patrick Griffin, TSRI Network: Molecular Library Probe Production Center Network (MLPCN) Grant Proposal Number: MH079861-01 Grant Proposal PI: Patrick Griffin, TSRI External Assay ID: PPARG_AG_FP_0384_3XIC50 POLARSCREEN DRUN Name: Fluorescence-polarization-based biochemical polarscreen dose response binding assay for partial agonists of the peroxisome proliferator-activated receptor gamma (PPARg). Description: Peroxisome proliferator-activated receptors (PPARs) belong to the nuclear receptor superfamily and are lipid sensors functioning as ligand-dependent transcription factors regulating gene expression patterns of diverse biological processes (1, 2). PPARs play a critical role in metabolic processes such as glucose metabolism, lipid metabolism, and have been implicated in anti-atherogenic, anti-inflammatory as well
4582	1	Dose Response of inhibitors of GRK2 binding with RNA aptamer, Cherry Pick 1	University of New Mexico Assay Overview: Assay Support:  1 R03 DA030557-01A1    Project Title:  RNA Aptamer-based screen for Selective Inhibitors of GRK2   PI: John Tesmer Assay Implementation:  Jun Chen, Pete Simons, Stephanie Chavez, Dominique Perez, Matthew Garcia, Terry Foutz, Anna Waller, Annette Evangelisti, J. Jacob Strouse, Mark Carter, Cristian Bologa, Gergely Zahoransky-Kohalmi Screening Cener PI:  Larry Sklar UNMCMD Chemistry Center PI:  Craig Lindsley Vanderbilt Specialized Screening Center Assay Background and Significance: A small family of G protein-coupled receptor (GPCR) kinases (GRKs) negatively regulates heterotrimeric G protein signaling by phosphorylating multiple sites in the cytoplasmic loops and tails of activated GPCRs [Krupnick, et al. 1998]. Through this process, cells adapt to persistent stimuli that act at GPCRs and protect themselves from damage incurred by sustained signaling. GRKs can also play maladaptive roles in human disease. GRK2 is overexpressed
4584	1	Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent  tim23-1 yeast counterscreen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
4585	1	Dose Response confirmation of Image-Based HTS for Selective Agonists for NTR1	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH089653-01 Assay Provider: Dr. Lawrence Barak, Duke University Medical Center Addiction leading to abuse should  be treatable by pharmacological approaches, and programs that identify new drugs to treat methamphetamine abuse address an immediate goal of the National Institute on Drug Abuse (NIDA) that new approaches are needed for treating METH addiction. Currently, small molecule drug-like compounds are not available for treating METH abuse. Neurotensin receptor 1 (NTR1) peptide agonists produce behaviors that are exactly opposite to the psychostimulant effects observed with methamphetamine abuse, such as hyperactivity, neurotoxicity, psychotic episodes, and cognitive deficits, and repeated administrations of NTR1 agonists do not l
4586	1	Dose Response of Developing T Cell Immune Modulators with powder sourced compounds	University of New Mexico Assay Overview:   Assay Support:  1 X01 MH085707-01 Project Title:  HTS for developing T Cell Immune Modulators Assay Provider: Inkyu Hwang, PhD The Scripps Research Institute (La Jolla) Lead Biologist: Mark K Haynes, PhD   Chemistry Center/ PI: Craig Lindsley  Specialized Chemistry Center: The Vanderbilt Specialized Chemistry Center Accelerated Probe Development   Assay Implementation: Mark K. Haynes PhD, Chelin Hu MS, Anna Waller PhD, Mark Carter MS Assay Background and Significance: When naive T cells encounter antigen presenting cells (APC) displaying cognate MHC-peptide complexes (pMHCs), the T cell and the APC form a highly organized structure at the contact site termed the &#39;immunological synapse&#39;, which is critical not only for prolonged and stable T/APC contact but also for the efficient and organized T cell signaling required for cell cycle progression and development of effector functions. Several membrane proteins and their ligand partners
4587	1	SAR Analysis for the identification of selective inhibits of the transient receptor potential cation channel C4 (TRPC4): Automated Electrophysiology_2	The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology instrument. Whole cell recordings were made from HEK293 cells stably expressing TRPC4 channels along with micro-opioid receptors (TRPC4 cells). TRPC4 channels were activated by depolarizing membrane potential ramps and stimulation of GPCR signaling pathways. In control experiments, a micro-opioid agonist, 50 nM DAMGO ([D-Ala2, N-Me-Phe4, Gly5-ol]-Enkephalin acetate) produced robust activation of TRPC4 channels in repeated applications. Following DAMGO application, the effects of test compounds were measured in the continued presence of DAMGO. 
4588	1	Dose Response confirmation of Inhibitors of Mdm2/MdmX interaction in luminescent format	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R03 MH089489-01 Assay Provider: Dr. Geoffrey M. Wahl, Salk Institute for Biological Studies, San Diego, CA A wild type but attenuated p53 is retained in approximately 50% of human tumors, and reactivation of p53 in such tumors is an attractive chemotherapeutic strategy. p53 activity is restricted in vivo by mdm2 and mdmx, and knockout of either of these proteins is embryonic lethal in a p53-dependent manner (1, 2). Both proteins bind to p53 via a hydrophobic N-terminal pocket and block p53-dependent transcription of genes required for tumor suppression. Efforts to reactivate p53 with small molecules have focused on inhibition of the mdm2/p53 interaction, which leads to increased p53 levels and activity. However, recent reports indicate that targetin
4589	1	Dose Response confirmation of uHTS small molecule inhibitors of tim23-1: a luminescent  tim10-1 yeast counterscreen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
4590	1	Dose Response confirmation of Inhibitors of Mdm2/MdmX interaction using a Brca1/Bard1 BiLC Counterscreen assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R03 MH089489-01 Assay Provider: Dr. Geoffrey M. Wahl, Salk Institute for Biological Studies, San Diego, CA A wild type but attenuated p53 is retained in approximately 50% of human tumors, and reactivation of p53 in such tumors is an attractive chemotherapeutic strategy. p53 activity is restricted in vivo by mdm2 and mdmx, and knockout of either of these proteins is embryonic lethal in a p53-dependent manner (1, 2). Both proteins bind to p53 via a hydrophobic N-terminal pocket and block p53-dependent transcription of genes required for tumor suppression. Efforts to reactivate p53 with small molecules have focused on inhibition of the mdm2/p53 interaction, which leads to increased p53 levels and activity. However, recent reports indicate that targetin
4591	1	Dose Response confirmation of uHTS small molecule inhibitors of tim23-1: a luminescent  TIM10 yeast counterscreen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
4592	1	Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1R03 MH085677-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Tumor Necrosis Factor Receptor-Associated Factors (TRAFs) are a family of adapter proteins that bind an unusual ubiquitin-conjugating enzyme, Ubc13, which produces polyubiquitin chains linked at lysine 63 of ubiquitin. These lysine 63-linked ubiquitin polymers trigger changes in protein activity. Ubiquitination by Ubc13 of TRAFs and the various protein kinases to which TRAFs bind is recognized as a critical step in signaling by TNFRs, TLRs, NLRs, and T-cell and B-cell antigen receptors (TCR/BCR) during innate and acquired immune responses. Since aberrant signaling by these receptor systems is linked to a wide variety of autoimmune, inflammato
4593	1	Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James D. Potter, University of Miami School of Medicine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 NS064821-01 Grant Proposal PI: James D. Potter, University of Miami School of Medicine External Assay ID: RTF_ACT_FLINT_1536_3XEC50 DRUN SENS Name: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). Description: Cardiomyopathies are myocardial diseases that often lead to cardiac remodeling to compensate for deficiencies in cardiac output (1). Cardiomyopathies are characterized as having systolic dysfunctions (i.e. reduced ejection fraction) in dilated cardiomyopathy or diastolic dysfunctions (i.e. impaired relaxation) in hypertrophic and restrictive cardiomyopathies (2). The
4596	1	HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research  Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1X01DA026208-01 Assay Provider: Dr. Lawrance Barak , Duke University, Durham, NC b-galactosidase (b-gal), a hydrolase enzyme that catalyzes the hydrolysis of b-galactosides to monosaccharides is utilized in many different screening technologies involving enzyme reaction coupling and reporter assays.  This assay was developed and performed as a counterscreen for the primary assay originally identified as "uHTS identification of small molecule antagonists of the CCR6 receptor via a luminescent beta-arrestin assay", AID 493098.  By detecting inhibitors and activators of this enzyme, it is possible to attribute activity not to the primary assay in question, but rather to interaction with the method of detection.    References Fowler et al. (1970).
4597	1	Dose Response confirmation of small molecule APOBEC3G DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements.  Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).   The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay.  In this assay, an A3G protein, a single-strand DNA oligonucleotide with  a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed.  After incubation at room temperature, A3G deaminates C-to-U
4598	1	Dose Response confirmation of APOBEC3G DNA Deaminase Inhibitors via a A3A counterscreen	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements.  Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).   The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay.  In this assay, an A3G protein, a single-strand DNA oligonucleotide with  a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed.  After incubation at room temperature, A3G deaminates C-to-U
4599	1	Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements.  Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).   The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay.  In this assay, an A3G protein, a single-strand DNA oligonucleotide with  a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed.  After incubation at room temperature, A3G deaminates C-to-U
4600	1	Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements.  Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).   The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay. In this assay, an A3G protein, a single-strand DNA oligonucleotide with a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed. After incubation at room temperature, A3G deaminates C-to-U an
4601	1	Dose Response confirmation of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R21 NS064746-01A Assay Provider: Dr. Greg Roth, Sanford-Burnham Medical Research Institute Currently there are no published patents or studies specifically describing small molecule antagonists of the chemokine receptor CCR6. CCL20 (MIP-3 alpha) is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) CCR6. The receptor ligand pair is responsible for the chemoattraction of immature dendritic cells, effector/memory T cells, B cells, and also plays a role at skin and mucosal surfaces. The CCR6 receptor is expressed by B cells, subsets of T cells, and dendritic cells (DC). The link between the CCR6lCCL20 axis and cancer cell metastasis is a recent finding. There are two key studies that describe a relation between CCR6 and colorectal
4602	1	Dose Response confirmation of inhibitors of hexokinase domain containing  I (HKDC1)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS061703-01S1 Assay Provider: Dr. Jeff Johnson, Metabolex, Inc., Hayward, CA. The gene HKDC1 (HexoKinase Domain Containing I) was found to encode a fifth mammalian hexokinase. Since hexokinases are the first step in glucose metabolism, they play a major role in regulating the metabolic fate of glucose in the tissues they are expressed. Understanding both the proper and pathological metabolism of glucose is obviously of critical importance to deciphering the dysregulation of glucose metabolism that leads to Type 2 diabetes, a disorder of glucose metabolism that morbidly afflicts 35 million Americans and perhaps close to 200 million worldwide. It is our expectation that HTS to find small molecule inhibitors for HKDC1 will begin the proce
4603	1	Dose Response confirmation of activators of hexokinase domain containing  I (HKDC1)	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS061703-01S1 Assay Provider: Dr. Jeff Johnson, Metabolex, Inc., Hayward, CA. The gene HKDC1 (HexoKinase Domain Containing I) was found to encode a fifth mammalian hexokinase. Since hexokinases (HKs) are the first step in glucose metabolism, they play a major role in regulating the metabolic fate of glucose in the tissues they are expressed. Understanding both the proper and pathological metabolism of glucose is obviously of critical importance to deciphering the dysregulation of glucose that leads to Type 2 diabetes, a disorder of metabolism that morbidly afflicts 35 million Americans and perhaps close to 200 million worldwide. It is our expectation that HTS to find small molecule activators for HKDC1 will begin the process of identif
4605	1	Fluorescence-based biochemical high throughput dose response assay for inhibitors of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: James D. Potter, University of Miami School of Medicine Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number 1 R21 NS064821-01 Grant Proposal PI: James D. Potter, University of Miami School of Medicine External Assay ID: RTF_INH_FLINT_1536_3XIC50 DRUN DESENS Name: Fluorescence-based biochemical high throughput dose response assay for inhibitors of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). Description: Cardiomyopathies are myocardial diseases that often lead to cardiac remodeling to compensate for deficiencies in cardiac output (1). Cardiomyopathies are characterized as having systolic dysfunctions (i.e. reduced ejection fraction) in dilated cardiomyopathy or diastolic dysfunctions (i.e. impaired relaxation) in hypertrophic and restrictive cardiomyopathies (2). Th
4606	1	Dose response confirmation of the uHTS fluorescent assay for identification of inhibitors of ATG4B.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH090871-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Autophagy is an evolutionarily conserved process whereby cells catabolize damaged proteins and organelles for purposes of generating substrates for sustaining ATP production during times of nutrient deprivation.  The autophagic process involves membrane vesicles engulfing cytosol and organelles, delivering their contents to lysosomes for digestion.  The genes responsible for autophagy have been identified, largely through genetic analysis of yeast, Saccharomyces cerevisiae, and are conserved in mammals, plants, and essentially all eukaryotes. While autophagy is critical for cell survival in the context of nutrient deprivation, circumstances
4607	1	Dose Response confirmation of activators of hexokinase domain containing  I (HKDC1) in the hexokinase 1 selectivity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS061703-01S1 Assay Provider: Dr. Jeff Johnson, Metabolex, Inc., Hayward, CA. Since hexokinases (HKs) are the first step in glucose metabolism, they play a major role in regulating the metabolic fate of glucose in the tissues they are expressed. Understanding both the proper and pathological metabolism of glucose is obviously of critical importance to deciphering the dysregulation of glucose that leads to Type 2 diabetes, a disorder of metabolism that morbidly afflicts 35 million Americans and perhaps close to 200 million worldwide.  One member of HK enzyme family, Hexokinase IV or glucokinase, has been the subject of intense pharmaceutical development of small molecule activators for treatment of Type 2 diabetes. The other members of
4608	1	Dose Response confirmation of inhibitors of hexokinase domain containing  I (HKDC1) in the hexokinase 1 selectivity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS061703-01S1 Assay Provider: Dr. Jeff Johnson, Metabolex, Inc., Hayward, CA. Since hexokinases (HKs) are the first step in glucose metabolism, they play a major role in regulating the metabolic fate of glucose in the tissues they are expressed. Understanding both the proper and pathological metabolism of glucose is obviously of critical importance to deciphering the dysregulation of glucose that leads to Type 2 diabetes, a disorder of metabolism that morbidly afflicts 35 million Americans and perhaps close to 200 million worldwide.  The gene HKDC1 (HexoKinase Domain Containing I) was found to encode a fifth mammalian hexokinase. Its expression pattern is unique among hexokinases, providing some initial clues to its function in biolog
4609	1	Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21AI082434-01  Assay Provider: Lars Bode, Ph.D., University of California San Diego, San Diego, CA Tropical malaria caused by the protozoan parasite Plasmodium falciparum is responsible for up to three million deaths annually. Due to increasing regional distribution and resistances against the clinically used antimalarials, novel antimalarial drugs - which have new mechanisms of action and are suitable for combination therapies - are urgently required. Plasmodium falciparum Glucose-6-phosphate dehydrogenase (PfGluPho) is a potential novel target for antimalarial drug design. Glucose-6-Phosphate Dehydrogenase (G6PD) reaction is the first and rate-limiting step in the pentose phosphate pathway (PPP), catalyzed by a bifunctional enzyme Plasmodium fal
4610	1	Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21AI082434-01  Assay Provider: Lars Bode, Ph.D., University of California San Diego, San Diego, CA Tropical malaria caused by the protozoan parasite Plasmodium falciparum is responsible for up to three million deaths annually. Due to increasing regional distribution and resistances against the clinically used antimalarials, novel antimalarial drugs - which have new mechanisms of action and are suitable for combination therapies - are urgently required. Plasmodium falciparum Glucose-6-phosphate dehydrogenase (PfGluPho) is a potential novel target for antimalarial drug design. Glucose-6-Phosphate Dehydrogenase (G6PD) reaction is the first and rate-limiting step in the pentose phosphate pathway (PPP), catalyzed by a bifunctional enzyme Plasmodium fal
4611	1	Fluorescence polarization-based biochemical high throughput dose response assay for activators of the Protein Kinase A-R1A (PKA-R1A) complex	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Susan Taylor, University of California, San Diego (UCSD) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 GM34921 Grant Proposal PI: Susan Taylor, University of California, San Diego (UCSD) External Assay ID: PKAR1A_ACT_FP_1536_3XEC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay for activators of the Protein Kinase A-R1A (PKA-R1A) complex. Description: Protein phosphorylation is one of the most important mechanisms for regulation in mammalian cells, and cAMP is an ancient second messenger signaling molecule. Protein kinase A (PKA) is a ubiquitous cAMP-dependent serine/threonine protein kinase that phosphorylates intracellular protein substrates in response to the secondary messenger, adenosine 3&#39;,5&#39;-cyclic monophosphate (cAMP
4612	1	Fluorescence polarization-based biochemical high throughput dose response assay for activators of the Protein Kinase A-R2B (PKA-R2B) complex	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Susan Taylor, University of California, San Diego (UCSD) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 GM34921 Grant Proposal PI: Susan Taylor, University of California, San Diego (UCSD) External Assay ID: PKAR2B_ACT_FP_1536_3XEC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay for activators of the Protein Kinase A-R2B (PKA-R2B) complex. Description: Protein phosphorylation is one of the most important mechanisms for regulation in mammalian cells, and cAMP is an ancient second messenger signaling molecule. Protein kinase A (PKA) is a ubiquitous cAMP-dependent serine/threonine protein kinase that phosphorylates intracellular protein substrates in response to the secondary messenger, adenosine 3&#39;,5&#39;-cyclic monophosphate (cAMP
4613	1	Counterscreen for activators of the Protein Kinase A-R1A (PKA-R1A) complex	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Susan Taylor, University of California, San Diego (UCSD) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 GM34921 Grant Proposal PI: Susan Taylor, University of California, San Diego (UCSD) External Assay ID: PKAR2B_ACT_FP_1536_3XEC50 DCSRUN PKAR1A Name: Counterscreen for activators of the Protein Kinase A-R1A (PKA-R1A) complex: fluorescence polarization-based biochemical high throughput dose response assay to identify activators of the Protein Kinase A-R2B (PKA-R2B) complex. Description: Protein phosphorylation is one of the most important mechanisms for regulation in mammalian cells, and cAMP is an ancient second messenger signaling molecule. Protein kinase A (PKA) is a ubiquitous cAMP-dependent serine/threonine protein kinase that phosphorylates intracellular protein substrat
4614	1	Counterscreen for activators of the Protein Kinase A-R2B (PKA-R2B) complex	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Susan Taylor, University of California, San Diego (UCSD) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 GM34921 Grant Proposal PI: Susan Taylor, University of California, San Diego (UCSD) External Assay ID: PKAR1A_ACT_FP_1536_3XEC50 DCSRUN PKAR2B Name: Counterscreen for activators of the Protein Kinase A-R2B (PKA-R2B) complex: fluorescence polarization-based biochemical high throughput dose response assay to identify activators of the Protein Kinase A-R1A (PKA-R1A) complex. Description: Protein phosphorylation is one of the most important mechanisms for regulation in mammalian cells, and cAMP is an ancient second messenger signaling molecule. Protein kinase A (PKA) is a ubiquitous cAMP-dependent serine/threonine protein kinase that phosphorylates intracellular protein substrat
4615	1	In Vitro Kinase Assay	PDK1 protein kinase was expressed in Sf9 insect cells as human recombinant GST-fusion protein by means of the baculovirus expression systems.  Protein kinase assay (33PanQinase assay) was used for measuring the kinase activity of PDK1.
4616	1	Inhibition Assay	Azole derivatives used as an inhibitor of TB and TC CYP51.
4617	1	Inhibition Assay	The measurement of the ability of URB602 compound to inhibit MGL activity. 
4618	1	Enzyme Inhibition Assay	Enzyme inhibition assay using recombinant human IMPDH1 and IMPDH2 and C.parvum were expressed in guaB strains of escherichia coli.
4619	1	Fluorescent Competition Assay	The binding affinities to FtsZ were determined by a fluorescent competition assay with 2&#39;/3&#39;-O-(N-methyl-anthraniloyl)-guanosine-5&#39;-triphosphate (mantGTP).  Polyermization studies at 90 degree angle light scattering was conducted.  Where both wavelength, excitation and emission were set at 350 nM and slit widths were 1.5 nM
4619	2	Fluorescent Coupled Assay	The binding affinities to FtsZ were determined by a fluorescent coupled assay for phosphate relase. In this GTPase studies, phosphate liberated during GTP hydrolysis is a substrate of purine nucleoside phosphorylase, which converts 7-methylguanosine to 7-methylguanin and ribose-1-phosphate, resulting in a decrease of fluorescence.
4620	1	Inhibition Assay	Inhibition of argifin and other peptide derivatives against AfchiB1 and hCHT.
4621	1	BP Incorporation Assay	In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay.  TGase/TGMS activity was determined by quantifying the incorporation of BP into N,N&#39;-dimethylcasein in a microtiter plate.  
4622	1	Enzyme Inhibition Assay	Enzyme inhibition assay using CgDHFR and hDHFR performed at 25 degree Celsius by monitoring the rate of enzyme-dependent NADPH oxidation at an absorbance of 340 nm over several minutes.
4623	1	Enzymatic Assay	Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.  
4624	1	Inhibition Assay	Inhibition assay of olfactory receptors 17 activation.
4625	1	Enzyme Inhibiton Assay	Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).
4626	1	Enzyme-coupled Assay	Enzyme-coupled assay using oleamide as substrate where stoichiometic quantites of NAD are formed upon the generation of ammonia from oleamide by FAAH hydrolysis. 
4627	1	Enzymatic Inhibition Assay	The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.
4628	1	Enzyme Assay	Purified recombinant rat MGL was prepared and enzyme activity was assayed.  
4629	1	Kinase Assay	Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.
4630	1	In Vitro Activity Assay	In vitro activity assay using various kinases.
4631	1	In Vitro Activity Kinase Assay	In vitro kinase assay profiled against a panel of different kinase binding assay using Ambit kinomeScan technology.  Biochemical IC50 values were determined using the Z&#39;-lyte assays format from Invitrogen.
4632	1	Enzyme Inhibition Assay	The predication of no specific interaction between enzyme and iron-binding inhibitors but the Enzyme inhibition constants (IC50s)will change in parallel with the iron-binding constants.
4633	1	In Vitro Inhibition Assay	In vitro inhibition assay using human nampt, NMN adenylytransferase (nmant1)and UDP-glucose dehdryogenase (ugdh) genes.
4634	1	Fluorogenic Assay	DPAP1 inhibtion was measured using DPAP1-specific fluorogenic assay.  IC50 DPAP1 were determined after 30 min incubation of parasite lysates with 5 nM to 100 mM inhibitor. ki values were obtained by fitting the data to Equation 1.
4635	1	Biochemical Assay	13 fragments with strong inhibition in the single concentration point assay were chose from the micelle screen for further analysis using a biochemical assay.
4636	1	Inhibition Assay	Inhibition assay using inosine 5&#39;-onophosphate dehydrogenase (IMPD).
4637	1	In Vitro Kinase Assay	Kinase assay using cyclin-dependant kinases (CDK).
4638	1	Enzyme Assay	Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-1187)was purchased from Invitrogen in Carlsbad, CA.
4651	1	Enzyme Inhibition Assay	Enzyme inhibition assay using chitinase A1 from aspergillus fumigatus.
4652	1	Binding Assay	Binding of inhibitors and substrates to immobilized AcrB.
4653	1	Enzymatic Assay	Chitnase inhibition by bisdionin compounds.
4654	1	Fluorogenic Assay	The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM.  Fluorophore release (AFC) production was measured using fluorescence plate reader at 405nm/510nm for 10-60min.
12190	1	Electrophysiological Assay (EP) (In Vitro Assay)	The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1.5 channels. cDNAsfor Nav1.7 (NM_002977) and Nav1.5 (AC137587) are stably expressed in Chinese Hamstr Ovary (CHO) cells and CHL (Chinese Hamster Lung) cells respectively. Sodium currents are measured in the whole-cell configuration using Syncropatch 384PE (Nanlon Technologies, Germany). 1NPC -384 chips with custom medium resistance and single hole mode are used. Internal solution consists of (in mM): 110 CsCl, 10 CsCl, 20 EGTA, and 10 Hepes (pH adjusted to 7.2); and external solution contains (in mM): 60 NMDG, 80 NaCl, 4 KCl, 1 MgCl2, 2 CaCl2), 2 D-Glucose monohydrate, 10 Hepes (pH adjusted to 7.4 with NaOH). After system flushing, testing compounds are dissolved in external solution containing 0.1% Pluronic F-127. The chip is moved into the measuring head and the instrument primes the chip with external and internal solutions. 10 ul cells are added to the chip from a cell hotel, and a negative pressure of +-50 mBar is applied to form a seal. Following treatment with seal enhancer solution and wash-off with external solution, negative pressure of +-250 mbar is applied for 1 second to achieve the whole-cell configuration, followed by three washing steps in external solution. 20 ul of compounds is added to 40 ul in each well (1:3 dilution of compounds), and after mixing, 20 ul is removed so the volume is retained at 40 ul. After approximately 13 minutes recordings, 20 ul/well of 2 uM TTX, or 333 uM Tetracaine (for Nav1.5) is added to achieve full block.
4658	1	Inhibition Assay 	In vitro inhibition of TOP2 alpha activity by BNS derivatives.
4659	1	Biochemical Assay	In vitro biochemical assays were performed in parallel to determine the most potent tool compound.
4660	1	Biochemical Assay	A fluorescence anisotropy (FA)-based biochemical assay that monitors MgrA-DNA binding.  To determine the binding affinity of MgrA to the labeled DNA, different amounts of MgrA were added into the 96-well format plate.
4661	1	Binding Assay	Binding assay with hCB1 and hCB2 receptors.
4662	1	Enzyme Inhibition Assay	Inhibition assay using Fhit with ApppBODIPY.
4663	1	Inhibition Assay	Inhibition of human urokinase-type plasminogen activator (uPA).
4664	1	In Vitro Radiometric Kinase Assay	In vitro radiometric kinase assay  were conducted using PKD1 from Biomol International, PKD2 from SignalChem and PKD3 Enzo Life Sciences.
4665	1	Inhibition Assay	Inhibiton assay using MurgD.
4666	1	Kinase Inhibition Assay	Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FRET) assay using human pp60 c-Src from a upstate Biotechnology.
4667	1	Inhibition Assay	Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.
4668	1	HDM2 Binding Assay	Binding assay using 1,4-benzodiazepine-2,5-dione (BZD) scaffold and HDM2-p53 protein.
4669	1	Inhibition Assay	Monoamine oxidase inhibitory activity of derivatives of 4, dihydro-(1H)-pyrazole.
4670	1	Inhibition Assay	Inhibition assay using peptidyl ene diones to inactivate human cathepsins B and L.
4671	1	Kinase Inhibition Assay	Inhibition assay using KDR.
4672	1	Inhibition Assay	Inhibition assay using HIV protease and Sulfonamide compounds.
4673	1	Inhibition Assay	FXa inhibition were determined by using an inhibition assay.
4674	1	Inhibition Assay	The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.
4675	1	Kinase Assay	2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.
4676	1	Kinase Enzyme Assay	EGFR kinase assay was perform using Nunc MaxiSorp purchased from Nalge Nunc Interantional.
4677	2	NMR-Based Screening Assay	HSP90 inhibitors identified using NMR fragment-based screening assay.
4677	1	FRET Assay	HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.
4678	1	Kinase Assay	Inhibition of wild-type Abl and Abl T315I kinase activity was measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FRET) assay using purified recombinant human wild-type Abl purchased from Invitrogen and Abl T315I mutant purchased from Upstate Biotechnology Inc.
4679	1	NMR Screening Assay	NMR-based screen of potential binders by using 1D Aliphatic 1H NMR experiment to investigate the potential role of the c-VIAF as a possible drug target viral infections validation and functional studies.
4680	1	In Vitro Activity Assay	In vitro activity assay using leishmania tarentolae and porcine brain tubulin.
8535	2	Biological Assay	Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, secondary and tertiary amines. In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropanamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAO-A and MAO-B activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 uL. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in duplicate within the same experiment. Briefly, a fixed amount of MAO (0.25 ug for MAO-A and 0.5 ug for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of at least eight 3-fold serial dilutions each. Clorgyline and Deprenyl (Sigma Aldrich) was used as a control for specific inhibition of MAO-A and MAO-B respectively. After leaving the enzyme(s) interacting with the inhibitor, KM of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37&deg; C. In the dark. The oxidative deamination of the substrate was stopped by adding 50 uL of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor. The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes. The IC50 values of each inhibitor were calculated with GraphPad Prism Software.
4706	1	Stains-all Assay	Stains-all assay were used to test inhibitors at pH of 7.
4706	2	Morgan-Elson Assay	Morgan-elson assay were used to test inhibitors at pH of 3.5.
4707	1	Enzyme Inhibition Assay	Enzyme activity assay were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over 5 min.
4727	1	Inhibition Assay	The aromatic compounds screening were characterized by molecular docking as well as by in vitro inhibition assay against carboxypeptidase(CPs) of different specifications and natural origin.
4728	1	Competition Assay	To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy) to Hsp90 using fluoresence polarization.
4729	1	Inhibition Assay	Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.
4807	1	In Vitro Enzyme Assay	The reverse transcriptase inhibitory activity of compound was evaluated by a non-radioactive colorimetric assay method.  This procedure uses RT to synthesize DNA starting from the template/primer hybridpoly (A) x oligo (dT)15 and avoids the use of radio-labeled nucleotides.
4808	1	Inhibition Assay	Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA catalyzed CO2 hydration activity.
4809	1	Inhibition Assay	Inhibition activity using bovine dihydrofolate reductase (DHFR).
4810	1	Inhibition Assay	Inhibition assay using matrix metalloproteinase (MMP-2).
4811	1	Enzyme Inhbition Assay	Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA catalyzed CO2 hydration activity.
4812	1	SPR assay	SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider&#39;s protocolswith 10mMHEPES, pH 7.4, 150mMNaCl, 500 &#206;&#188;MEDTA, 0.05%Tween-20, and 1% DMSO as a running buffer. Histidine-tagged Grp78was immobilized on the sensor surface; reference surfaces withoutimmobilized Ni2+ served as controls for nonspecific binding and refractiveindex changes. Concentrations of inhibitors (0--200 &#206;&#188;M) weretypically injected over the sensor chip at 35 &#206;&#188;L/min. Zero concentrationsamples were used as blanks. The sensor surface was regenerated betweenexperiments by injections of 0.1 mg/mL trypsin and 50% DMSO. Dataprocessing was performed using BIAevaluation 2.1 software (BIAcore GEHealthcare Bio-Sciences Corp.) by globally fitting the entire inhibitorconcentration series data set to the steady state affinity model.
4812	2	Fluorescence-Polarization (FP) Binding Assay	The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner will increase the polarization of the emitted fluorescence.
4813	1	In Vitro Kinase Assay	In vitro kinase assay using Abl, Abl T315I or Src kinase.
4814	1	Binding Assay	CB1 competitive assay were performed in rat cerebellar membranes using [3H]WIN 55212-2 from Perkin-Elmer as a radioligand.
4815	1	Enzyme Inhibition Assay	Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions containing 0.2 mM NADH, 1 mM MgCl2, substrate 2-acetolactate and inhibitor in 0.1 M phosphate buffer at pH 8.0.
4816	1	High-Throughput Screening Assay (Forward Direction Assay)	PPAT screening assay (forward-direction assay) were performed in clear 384 well plates containing in each well either 1-uL DMSO, 1 uL of variable concentrations of test compounds solvated in DMSO or 1 uL of a 100-uM solution of a dipeptide inhibitor of PPAT in DMSO which serves as the fully inhibit control.
4816	2	Reverse PPAT Assay	The reverse assay was performed in polyproplene 96-well plates containing in each well either 1 uL DMSO, 1 UL of variable concentrations of test compounds solvated in DMSO or 1 UL of a 100-uM solution of a dipeptide inhibitor of PPAT in DMSO which serves as control.
4817	1	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion using spectrophotmeter (CHEBIOS UV-VIS).
4818	1	Tritium Release Assay	A tritium release assay was used to determin the in vitro inhibitory strengths of various compounds.  The inhibitory potency of human TS was determined using buffer TES, Magnesium chloride, EDTA and DTT at pH of 7.5 to a concentration of 10uM in active sites.  
4819	1	Competition Binding Assay	5-HT-2A receptor affinity was determined by a radioligand competition binding assay with GF-62 cells, a clonal cell line expressing high amounts of 5-HT-2A receptors.
4820	1	In Vitro Inhibtion Assay	The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in five different concentrations (0.15, 0.3, 0.45, 0.6, and 0.75 mM).
4821	1	Inhibition Assay	Inhibition assay using matrix metalloproteinases.
4822	1	Enzyme-linked Immunosorbent Assay	Protein A-coasted wells (from Pierce Biotechnology) were used to immobilize Eph receptor Fc fusion proteins (from R&D systems)incubated at 1 ug/ml in TBST.
4823	1	PBGS Assay	The PBGS assay is a colorimetric assay based on the reaction between PBG and 4-dimethylaminobenzaldehyde (Ehrlich&#39;s reagent). 
4860	1	Enzyme Assay	The inhibitory activity of the equilibrated mixtures was determined.  The activity of AChE was monitored by following the linear change in absorbance at 412 nm over 30s at 25C.
4861	1	Inhibition Assay	IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and various amounts of synthetic purine analogues.
4862	1	In Vitro Colorimetric Enzyme Assay	Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.
4863	1	Sigma 1 Assay	The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.
6500	2	Tyrosine Kinase Assay	EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhibitor cellular activity test S.O.P.A typical kinase inhibition reaction requires a protein tyrosine kinase, a suitable buffer solution system, a peptide substrate and ATP. In the present EGFR tyrosine kinase assay, a buffer solution system containing 20 mM HEPES (pH 7.4), 5 mM MgCl2 and 2 mM MnCl2; 50 uM Na3VO4; 50 ng/10 ul EGFR (Proquinase); 100 uM ATP; and 10 ng/ml poly(Glu, Tyr) (4:1, Sigma) as a substrate were used.First, 10 ul of EGFR was added to each well of a 96-well plate, 10 ul of the test compounds diluted as described in Test Example 2 (Examples 1 to 173) was added to each well, and the plate was incubated at room temperature for 10 min. The compounds of Test Example 1 were used as control compounds at a concentration of 0.0001 to 10 uM.
6500	1	Tyrosine Kinase Assay	VEGFR2 (KDR, Proquinase) enzyme assay (auto-phosphorylation assay) was carried out by using Tyrosine Kinase Assay Kit Green (Panvera). The entire assay was conducted in accordance with VEGFR PTK inhibitor cellular activity test S.O.P.A typical kinase inhibition reaction requires a protein tyrosine kinase, a suitable buffer solution system, a peptide substrate and ATP. In the present VEGFR tyrosine kinase assay, a buffer solution system containing 20 mM HEPES (pH 7.4), 5 mM MgCl2 and 2 mM MnCl2; 50 uM Na3VO4; 200 ng/10 ul VEGFR (Proquinase); 5 uM ATP; and 10 ng/ml poly(Glu, Tyr) (4:1, Sigma) as a substrate were used.First, 10 ul of VEGFR was added to each well of a 96-well plate, 10 ul of the test compounds diluted as described in Test Example 2 (Examples 1 to 173) was added to each well, and the plate was incubated at room temperature for 10 min. The compounds of Test Example 1 were used as control compounds at a concentration of 0.0001 to 10 uM.
4932	1	Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21AI082434-01  Assay Provider: Lars Bode, Ph.D., University of California San Diego, San Diego, CA Tropical malaria caused by the protozoan parasite Plasmodium falciparum is responsible for up to three million deaths annually. Due to increasing regional distribution and resistances against the clinically used antimalarials, novel antimalarial drugs - which have new mechanisms of action and are suitable for combination therapies - are urgently required. Plasmodium falciparum Glucose-6-phosphate dehydrogenase (PfGluPho) is a potential novel target for antimalarial drug design. Glucose-6-Phosphate Dehydrogenase (G6PD) reaction is the first and rate-limiting step in the pentose phosphate pathway (PPP), catalyzed by a bifunctional enzyme Plasmodium fal
4933	1	Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R21AI082434-01  Assay Provider: Lars Bode, Ph.D., University of California San Diego, San Diego, CA Tropical malaria caused by the protozoan parasite Plasmodium falciparum is responsible for up to three million deaths annually. Due to increasing regional distribution and resistances against the clinically used antimalarials, novel antimalarial drugs - which have new mechanisms of action and are suitable for combination therapies - are urgently required. Plasmodium falciparum Glucose-6-phosphate dehydrogenase (PfGluPho) is a potential novel target for antimalarial drug design. Glucose-6-Phosphate Dehydrogenase (G6PD) reaction is the first and rate-limiting step in the pentose phosphate pathway (PPP), catalyzed by a bifunctional enzyme Plasmodium fal
4934	1	SAR VHR1 Fluorescent Assay for In Vitro dose response studies Set 3	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH084230-01A1 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Protein tyrosine phosphatases (PTPs) play vital roles in numerous cellular processes and are implicated in a growing number of human diseases, ranging from cancer to cardiovascular, immunological, infectious, neurological, and metabolic diseases. The Vaccinia H1-related (VHR) PTP is a dual-specific Erk and Jnk phosphatase, the loss of which causes specific cell cycle arrest in HeLa carcinoma cells, suggesting that VHR inhibition may be a useful approach to halt the growth of cancer cells without detrimental effects on normal cells. Recent studies by collaborators and us suggest that VHR is upregulated in several cervix cancer cell lines, in
4935	1	Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 DA030556-01A1 Assay Provider: Dr. Yan Jessie Zhang, University of Texas, Austin, TX Human Scp phosphatases are regulators involved in neuronal gene silencing. This family of phosphatases exhibits specificity for phosphoryl-Ser5 in the heptad repeats of the C-terminal domain of RNA polymerase II (RNA Pol II) and thus inhibit initiation of transcription [1, 2]. Scps strongly associate with the REST/NRSF neuronal silencing complex that functions to inhibit transcription of neuronal genes in neuronal stem cells and in nonneuronal tissues [1]. Inhibition of Scps by dominant negative forms of the enzyme or by premature expression of the nervous system-specific microRNA miR-124, results in differentiation of neuronal stem cells into mature neurons [
4936	1	SAR analysis of small molecule antagonists of the CCR6 receptor: a luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R21 NS064746-01A Assay Provider: Dr. Greg Roth, Sanford-Burnham Medical Research Institute Currently there are no published patents or studies specifically describing small molecule antagonists of the chemokine receptor CCR6. CCL20 (MIP-3 alpha) is the endogenous peptide ligand for the G-protein coupled receptor (GPCR) CCR6. The receptor ligand pair is responsible for the chemoattraction of immature dendritic cells, effector/memory T cells, B cells, and also plays a role at skin and mucosal surfaces. The CCR6 receptor is expressed by B cells, subsets of T cells, and dendritic cells (DC). The link between the CCR6lCCL20 axis and cancer cell metastasis is a recent finding. There are two key studies that describe a relation between CCR6 and colorectal
4937	1	Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter S. Tobias, The Scripps Research Institute (TSRI) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: RO1 AI078288 Grant Proposal PI: Peter S. Tobias, The Scripps Research Institute (TSRI) External Assay ID: TLR9_INH_BLA_1536_3XIC50 DRUN Name: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. Description: Toll-like receptors (TLRs) are involved in initiating inflammatory responses to a number of components of pathogens as well as markers of sterile injury. As such they initiate homeostatic responses but also pathologic responses. Our focus on TLR9 is based on its role in autoimmune disease. Auto-antibodies to DNA, RNA, or both are characteristic of systemic lupus erythematosus (SLE) (1). Auto-antibody production depends on the
4938	1	Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Peter S. Tobias, The Scripps Research Institute (TSRI) Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: RO1 AI078288 Grant Proposal PI: Peter S. Tobias, The Scripps Research Institute (TSRI) External Assay ID: BLA_INH_BLA_1536_3XIC50 DCSRUN Name: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). Description: Toll-like receptors (TLRs) are involved in initiating inflammatory responses to a number of components of pathogens as well as markers of sterile injury. As such they initiate homeostatic responses but also pathologic responses. Our focus on TLR9 is based on its role in autoimmune disease. Auto-antibodies to DNA, RNA, or both are characteri
4939	1	SAR analysis counterscreen of small molecule antagonists of the CCR6 receptor using an APJ receptor luminescent beta-arrestin assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R21 NS064746-01A Assay Provider: Dr. Greg Roth, Sanford-Burnham Medical Research Institute This assay was developed and performed as a counter assay for the primary assay originally identified as "uHTS identification of small molecule antagonists of the CCR6 receptor via a luminescent beta-arrestin assay", AID 493098. Compounds are either acquired from commercial sources or synthesized internally.  A probe that is selective against APJ (within equipotent range as defined by a >10-fold difference in IC50) is desired. In this description we utilize enzyme-fragment complementation to directly measure GPCR activation. Unlike imaging or other second messenger assays, the DiscoveRx b-Arrestin assay allows for a direct measure of GPCR activation by detect
4940	1	Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH090871-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA This assay is a counterscreen for the primary screen (AID504462) which looked for inhibitors of Autophagin 1 (ATG4B). In screening for compounds that inhibit ATG4B, the High Throughput Screening (HTS) assay utilized a cleavable form of Phospholipase A2 (PLA2), which is expressed as a fusion protein with the Autophagin substrate LC3/ATG8 appended to its N-terminus, as the substrate for the primary enzymatic reaction. The addition of sequences to the N-terminus of PLA2 inhibits the activity of this enzyme. Cleavage by proteases removing the N-terminal extension then restores enzyme activity, constituting the basis for a protease assay. The sub
4942	1	Dose response confirmation uHTS hits for MazEF TA System activators  via a fluorescence-based single-stranded RNase assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 2R01 GM068385-06 Assay Provider: Dr. Paul Hergenrother, University of Illinois, Urbana, IL Bacterial resistance to antibiotics is a worldwide health crisis. Resistance typically occurs as a result of chromosomal mutation or acquisition of a mobile genetic element, such as a plasmid, that harbors resistance-mediating genes. One of the most common plasmid maintenance systems is the toxin-antitoxin (TA) postsegregational killing mechanism. In this mechanism, if a plasmid-free daughter cell arises, the labile antitoxin is degraded and the toxin induces cell death. TA genes are ubiquitous in clinical isolates of certain drug-resistant bacteria, and it has been postulated that compounds that disrupt the TA interaction could free the toxin to kill the bac
4943	1	Dose response confirmation uHTS hits for MazEF TA System activators  via a fluorescence-based single-stranded RNase assay counterscreen	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 2R01 GM068385-06 Assay Provider: Dr. Paul Hergenrother, University of Illinois, Urbana, IL The assay was developed and performed in dose-response as a counter assay for the primary assay originally identified as "identification of MazEF TA System activators via a fluorescence-based single-stranded RNase assay", AID 504720.  The goal of the assay is to identify compounds that exhibit an increase in fluorescence over the timecourse of the assay in the absence of the MazEF TA system.   The counter dose-response assay described here will enable us to filter fluorescent compounds and readily identify small molecules that activate RNase-based toxins. A fluorophore and a quencher are on the opposite ends of an oligonucleotide substrate. When the RNase (i
4945	1	Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 inhibitors by high throughput screening. Apaf-1 is the essential mediato
4946	1	Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 inhibitors by high throughput screening. Apaf-1 is the essential mediato
4947	1	Dose Response confirmation of uHTS Activators of the Apaf-1 Pathway in Fluorescent format	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 activators by high throughput screening. Apaf-1 is the essential mediato
4948	1	Dose response confirmation of uHTS hits for Apaf-1 using a LZ-Caspase-9/Caspase-3 Fluorescent Selectivity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 inhibitors by high throughput screening. Apaf-1 is the essential mediato
4949	1	Dose response confirmation of the uHTS fluorescent assay for identification of inhibitors of ATG4B Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH090871-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA Autophagy is an evolutionarily conserved process whereby cells catabolize damaged proteins and organelles for purposes of generating substrates for sustaining ATP production during times of nutrient deprivation.  The autophagic process involves membrane vesicles engulfing cytosol and organelles, delivering their contents to lysosomes for digestion.  The genes responsible for autophagy have been identified, largely through genetic analysis of yeast, Saccharomyces cerevisiae, and are conserved in mammals, plants, and essentially all eukaryotes. While autophagy is critical for cell survival in the context of nutrient deprivation, circumstances
4950	1	Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH090871-01 Assay Provider: Dr. John C. Reed, Sanford-Burnham Medical Research Institute, San Diego CA This assay is a counterscreen for the primary screen (AID504462) which looked for inhibitors of Autophagin 1 (ATG4B). In screening for compounds that inhibit ATG4B, the High Throughput Screening (HTS) assay utilized a cleavable form of Phospholipase A2 (PLA2), which is expressed as a fusion protein with the Autophagin substrate LC3/ATG8 appended to its N-terminus, as the substrate for the primary enzymatic reaction. The addition of sequences to the N-terminus of PLA2 inhibits the activity of this enzyme. Cleavage by proteases removing the N-terminal extension then restores enzyme activity, constituting the basis for a protease assay. The sub
4951	1	Dose Response validation of Activators of Apaf-1 using a Fluorescent Interference Counterscreen assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 activators by high throughput screening. Apaf-1 is the essential mediato
4952	1	Dose Response of Small Molecules that Regulate V-ATPase Proton Transport in Yeast using pHLuorin, Cherry Pick 1	University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPase Proton Transport in Yeast Assay Provider: Karlett Parra Ph.D Lead Biologist:  Mark Carter MS Chemistry Center/ PI: Specialized Chemistry Center: Assay Implementation: Travis Houston, Keon Ahghar, Stephanie Chavez, Dominique Perez, Matthew Garcia, Sahba Charkhzarrin, Anna Waller Ph.D, Annette Evangelisti Ph.D Assay Background and Significance: Distributed among the endomembrane system of all eukaryotic cells, V-ATPase proton pumps are responsible for acidification of intracellular compartments. V-ATPases maintain the low pH necessary for endocytic and exocytic vesicular transport, zymogen activation, and protein sorting and degradation. Enveloped viruses, such as influenza virus, as well as toxins, such as diphtheria toxin, enter cells via acidic endosomal compartments, in which low pH is maintained by V-ATPases. Because the pH influe
4953	1	SAR Analysis of small molecule inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN)Grant Proposal Number: 1R21 NS061758-01 fast track Assay Provider: Dr. Guy Salvesen, Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Modification of proteins by SUMO is a dynamic and reversible process. SUMOylation/deSUMOylation cycle regulates SUMOs function. Sentrin-specific proteases (SENPs) are involved in both the maturation of SUMO precursors (endopeptidase cleavage) and deconjugation of the targets (isopeptidase cleavage) [1-3]. There are seven SENPs (1, 2, 3, 5, 6, 7, 8) in humans, and several of these have been characterized as SUMO (or Nedd8) specific enzymes. SENP8 is not a SUMO protease, instead it functions on a small ubiquitin related protein Nedd8. The objective of this project is to generate small molecule inhibitors specific for SENP8
4954	1	SAR analysis of small molecule activators of the MazEF TA System via a fluorescence-based single-stranded RNase assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 2R01 GM068385-06 Assay Provider: Dr. Paul Hergenrother, University of Illinois, Urbana, IL Bacterial resistance to antibiotics is a worldwide health crisis. Resistance typically occurs as a result of chromosomal mutation or acquisition of a mobile genetic element, such as a plasmid, that harbors resistance-mediating genes. One of the most common plasmid maintenance systems is the toxin-antitoxin (TA) postsegregational killing mechanism. In this mechanism, if a plasmid-free daughter cell arises, the labile antitoxin is degraded and the toxin induces cell death. TA genes are ubiquitous in clinical isolates of certain drug-resistant bacteria, and it has been postulated that compounds that disrupt the TA interaction could free the toxin to kill the bac
4955	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Hit compounds from Cherry Pick1	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Susan Young, Stephanie Sedillo, Domanique Perez, Matthew Garcia, Travis Houston, Keon Ahghar, Terry Foutz, Anna Waller, Annette Evangelisti, Mark Carter, Virginia Salas Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression of
4956	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr1 with Hit compounds from Cherry Pick1	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Susan Young, Stephanie Sedillo, Domanique Perez, Matthew Garcia, Travis Houston, Keon Ahghar, Terry Foutz, Anna Waller, Annette Evangelisti, Mark Carter, Virginia Salas Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression of
4957	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Hit compounds from Cherry Pick1	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Susan Young, Stephanie Sedillo, Domanique Perez, Matthew Garcia, Travis Houston, Keon Ahghar, Terry Foutz, Anna Waller, Annette Evangelisti, Mark Carter, Kristine Gouveia Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression
4958	1	Dose response assay for compounds that inhibit KCNQ2 potassium channels on automated electrophysiological assay II	Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC_KCNQ2_Inh_HFCP_IWS_CRC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Min Li, Ph.D. Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number:  1 R03 DA027716-01 Grant Proposal PI: Min Li, Ph.D., Johns Hopkins University School of Medicine Assay Implementation: Haibo Yu Ph.D., Kaiping Xu, Shunyou Long M.S, David Meyers Ph.D., Meng Wu Ph.D., Owen McManus Ph.D. Name: Dose response assay for compounds that inhibit KCNQ2 potassium channels on automated electrophysiological assay II Description: Voltage-gated potassium (K) channels are critical for neuronal function in excitable tissues such as brain and heart. They are also found in non-excitable tissues important for other functions such as hormone secretion, oxygen-sensing and immune responses. There are more than 100 genes in the human genome encoding different but
4959	1	Dose response for HTS for Beta-2AR agonists via FAP method from CP1	University of New Mexico Assay Overview:   Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor Internalization  Assay Provider: Jonathan Jarvik, Carnegie Mellon University  Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Yang Wu Chemistry Center/ PI:  Vanderbilt Specialty Chemistry Center/Craig Lindsley                                                             Chemistry Center Lead:  Shaun Stauffer Assay Implementation:  Yang Wu, Phillip Tapia, Terry Foutz, Stephanie Chavez, Dominique Perez, Annette Evangelisti, Anna Waller, Cristian Bologa, Mark Carter Assay Background and Significance:   G protein-coupled receptors represent the largest family of proteins in the human genome with an estimated number of approximately 800.  Because of their central involvement in almost every aspect of human physiology, they also represent the largest target for medical intervention [Lin and Civelli, Annu Med 36 (2004), 204-14].  T
4960	1	Late stage assay provider results from the probe development effort to identify inhibitors of plasma platelet activating factor acetylhydrolase (pPAFAH)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Providers: Brian Bahnson (Univ. of Delaware); Benjamin Cravatt, (TSRI) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R01HL084366 Grant Proposal PI: Brian Bahnson External Assay ID: pPAFAH_INH_FLUO_GELBASEDABPP_3XIC50_HTSHITS Name: Late stage assay provider results from the probe development effort to identify inhibitors of plasma platelet activating factor acetylhydrolase (pPAFAH): fluorescence-based dose response biochemical gel-based competitive Activity-Based Protein Profiling (ABPP) assay for HTS compounds. Description: This project aims to develop specific inhibitors of plasma platelet activating factor acetylhydrolase (pPAFAH), and three associated members of the serine hydrolase family of enzymes-PAFAH2, PAFAH1b2, and PAFAH1b3. pPAFAH, an enzyme linked to the inflammatory
4961	1	Dose response for HTS for Beta-2AR agonists via FAP method from Powderset1	University of New Mexico Assay Overview:   Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor Internalization  Assay Provider: Jonathan Jarvik, Carnegie Mellon University  Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Yang Wu Chemistry Center/ PI:  Vanderbilt Specialty Chemistry Center/Craig Lindsley                                                             Chemistry Center Lead:  Shaun Stauffer Assay Implementation:  Yang Wu, Phillip Tapia, Terry Foutz, Stephanie Chavez, Dominique Perez, Annette Evangelisti, Anna Waller, Cristian Bologa, Mark Carter Assay Background and Significance:   G protein-coupled receptors represent the largest family of proteins in the human genome with an estimated number of approximately 800.  Because of their central involvement in almost every aspect of human physiology, they also represent the largest target for medical intervention [Lin and Civelli, Annu Med 36 (2004), 204-14].  T
4962	1	Dose Response Assay for Inhibitors of the beta-Arrestin-Adaptor Protein 2 Interaction for Cherry Pick 1	University of New Mexico Assay Overview:   Assay Support: 1 R03 DA031665-01A1 Project Title: MLP Assay for Arrestin-AP2 Inhibitors Assay Provider: Eric Prossnitz Ph.D. Lead Biologist: Catherine Prudom Ph.D., post screen Peter Simons Ph.D.  Screening Operations Team: Mark Carter MS, Kristine Gouveia MS, J. Jacob Strouse Ph.D., Anna Waller Ph.D., Annette Evangelisti Ph.D. Chemistry Center/ PI: Craig W. Lindsley Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Assay Implementation: Keon Ahghar, Stephanie Chavez, Terry Foutz, Matthew Garcia, Travis Houston, Dominique Perez.  Assay Background and Significance: G protein-coupled receptors (GPCRs) represent the largest family of proteins in the human genome with over 600 members. As such they are involved in almost every aspect of normal human physiology, in addition to a multitude of pathophysiological processes, including cancer. The protein arrestin, which binds to phosphorylated GP
4963	1	Binding Assay	Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.
4963	2	Binding Assay	All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.
4964	1	Inhibiton Activity Assay	The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed.  Wells that showed 50% inhibition of the enzyme activity were selected and diluted to 10nM and screened again.
4966	1	Radiochemical Assay	The binding affinity of the inhibitors towards Catechol O-methyltransferase in the presence of Mg2+ ions were determined by using a radiochemical assay.
4967	1	Phosphatase Inhibition Assay	Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of inhibitors.  The concentration of inhibitors for which the enzyme activity is reduced to 50% is shown for the phosphatases Cdc25A, PTP1B and VHR.
4968	1	Inhibition Assay	The kinase-catalyzed phosphorylation of poly(Glu4-Tyr) in the presence of varying concentrations of inhibitor was determined.  The kinase were employed as fusion proteins of glutathion-S-transferase (GST) and the kinase domain.  The relative amount of phosphorylated substrate was quantified by antiphosphotyrosine enzyme-linked immunosorbent assay.
4969	1	Kinase Assay	Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.
4970	1	Inhibition Assay	Inhibition assay using CDK and selective kinases such as gsk3, EGFR, c-Kit, InsR and KDR.
4971	1	Inhibition Assay	The assay was monitored spectrophotometrically through the consumption of beta-NADPH.  The inhibitor assays contained inhibitor at concentrations of 0.1-15 mM cyclic analogues and 5-35 mM phosphonic acid derivates.
4972	1	Binding Assay	Human FGF-1 and FGF-2 were purchased from R&D Systems, Inc. and supplied as protein (ug) dissolved in bovine serum albumin (BSA, 50ug).  Surface plasmon resonance (SPR) measurements were performed on a BIA-core 3000 from BIAcore, Uppsala, Sweden and operated by the BIAcore control software.
4973	1	Malachite Green Assay	The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.
4974	1	PTP Assay	PTP assay were conducted at 25 C in 96-well plates.  Reaction rates were determined using a Variokan plate reader from Thermo Electron.  For assay pH 7.0 absorbance was measured every 30s over 10 min and the reaction rates were calculated by linear regression.  Because the p-nitrophenol product does not absorb at pH 6.0.
4975	1	Inhibition Assay	All compounds were screened for inhibitory activity against Lactobacillus casei thymidylate synthase (LcTS) and Escherichia coli thymidylate synthase (EsTS).  The inhibition experiments were conducted by measuring the effects of the inhibitor at different concentrations on the initial velocity of the enzyme in the presence of a limited amount of the folate substrate.
4976	1	Inhibiton Assay	Beta-glucocerebrosidase (GCase) activity was measured by release of 4-methylumbelliferyl fluorophore from MUClc.
4977	1	Inhibition Assay	The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was measured fluorometrically and Ki values were determined from Dixon plots. 
6507	1	Inhibition Assay	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals.
4987	1	In Vitro Kinase Assay	The IC50 for the different compounds was determined with Invitrogen Z&#39;-LYTE kinase assay kit Ser/Thr 1 peptide PV3174 by following the manufacturer&#39;s instructions.  To determine the IC50 of receptor tyrosine kinase, an assay based on the ELISA principle with kinases from Biomol (N-terminally fused to GST), POD-coupled antibody from Calbiochem (PY20)) and BM chem chemiluminescence ELISA substrate from Roche was performed.
4988	1	Enzyme Assay	Inhibition assay using tRNA-guanine transglycosylase (TGT).
4989	1	Inhibition Assay	Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments.  Kd values were obtained by ITC analysis.
4990	1	Inhibition Assay	Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.
4991	1	Inhibition Assay	Inhibition assay using trans-sialidase, a membrane-associated protein.
5008	1	VEGFR tyrosine kinase inhibition	In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stirred at reflux for 10 h. The resulting dark yellow mixture was cooled down, diluted with 50 mL of EtOAc and washed with 2 &#194;&#183; 25 mL of saturated aqueous NaHCO3. Organic phase was dried over anhydrous Na2SO4 and concentrated. Solid residue was triturated with 3 &#194;&#183; 10 mL of a 3:1 mixture (v/v) of Et2O and EtOAc to give triazole 2 (352 mg, 58% yield). Intermediate 2 (304 mg, 1 mM) was treated with 4-Py-COCl (170 mg, 1.2 mM) in 10 mL of pyridine at room temperature. The resulting dark yellow solution was stirred at room temperature for 12 h, poured into 25 mL of saturated NaHCO3, extracted with 3 &#194;&#183; 20 mL of EtOAc. The combined organic extract was washed with 3 &#194;&#183; 10 mL of water, dried over anhydrous Na2SO4 and concentrated. Solid residue was triturated with 3 &#194;&#183; 10 mL of Et2O. Toluene (50 mL) followed by P4S10 (2.22 g, 5 mM) was added to the r
5009	1	Active p38alpha cascade assay	Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing 50 mM Hepes, pH 7.5, 1 mM EGTA, 10 mMMgCl2, 0.01% (w/v) Brij 35, 200 lM DTT, 3 lM Na3VO4, 1 mM ATP,100 nM unactivated MK2 and 60 pM active p38a. p38a kinase waspreincubated at room temperature with inhibitors for 30 min, followedby additions of ATP and the protein substrate MK2 (unactivated)to initiate the reaction. The reaction was run for 15 min atroom temperature. Ten microliters of 50 lM MK2-specific Omniapeptide substrate (Invitrogen, Carlsbad, CA, USA; Ser / Thr Peptide 3,cat no. KCZ1003) was then immediately introduced to the reactionmixture (final concentration = 10 lM) to determine the p38-activatedMK2 kinase activity. The Omnia peptide phosphorylation catalyzedby p38a-activated MK2 was followed by the increase influorescence at 485 nm (kex = 360 nm) over a 10-min period on aMolecule Device Fluorescence Plate Reader. Under such 
5009	2	Unactivated p38alpha cascade assay	Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alpha activity in the assay mixture with andwithout inhibitors. In a 20-lL reaction mixture containing 50 mMHepes, pH 7.5, 1 mM EGTA, 10 mM MgCl2, 0.01% (w / v) Brij35 and 200 lM DTT, unactivated p38a (2 nM) was preincubatedwith inhibitors at various concentrations for 30 min at roomtemperature. Ten microliters of 1 mM ATP and 1 nM active MKK6were then introduced to initiate p38a activation. The reaction wasrun at room temperature for 15 min. The mixture was thenimmediately diluted 100-fold so that the inhibitor concentrationwas reduced by 2 orders of magnitude and residual inhibitoryeffect was minimized. The reaction product, active p38alpha, wasthen calculated based on its catalytic activity to activate MK2 asdescribed in Active p38a cascade assay section.
5010	1	Heme Oxygenase	Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemalbumin (heme complexed with albumin). Spleen and brain (Sprague&#226;Dawley rats) microsomal fractions were prepared according to the procedure outlined by Appletonet al. Protein concentration of microsomal fractions was determined by a modification of the Biuret method. Incubations for HO activity analysis were performed under conditions for which the rate of CO formation [pmol CO &#226; (min mg protein)] was linear with respect to time and microsomal protein concentration. Briefly, reaction mixtures (150 lL) consisting of 100 mM phosphate buffer (pH 7.4), 50 lM methemalbumin, and 1 mg &#226; mL protein were preincubated with the inhibitors at final concentrations ranging from 0.1 to 100 lM for 10 min at 37 degC. Reactions were initiated by adding NADPH at a final concentration of 1 mM, and incubations were performed for an additional 15 min at 37
5011	1	Binding Assay	The dissociation constants and enthalpies was determined by isothermal titration calorimety.
5012	1	Inhibition Assay	Inhibition of dGMII was measured at pH 5.75.  Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was carried out with pNP-mannose (4mM) and enzyme (40nM).
5013	1	Enzymatic Activity Assay	The p300 activity assays were performed by a colorimetric kit (JM-K322-100, MBL) using active recombinant p300/HAT as positive control and acetyl-CoA as a cofactor.
5014	1	Enzyme Assay	The kinetic studies involving a spectrophotometric product were conducted by monitoring the change in UV/visible absorbance with a Cintra 10 spectrophotometer.
5041	1	Inhibition Assay	All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranoside, o-nitrophenyl-alpha-D-manno-pyranoside, p-nitrohenyl-alpha-D-galactopyranoside and strach at the pH or each enzyme.
5042	1	Kinase Assay	The p38alpha reaction was carried out by using kinase (12ng per well), ATP (100uM) and incubated for 60 min at 37 C.  For the JNK3 assay, kinase (10ng per well), ATP (1uM) and 45 min of incubation time at 37 C were used.
5100	1	Spectrophotometic Assay	The IC50 values were obtained from a spectrophotometric assay.
5101	1	Spectrophotometric Assay	AANAT activity was measured using a spectrophotometric assay in which the enzymatic product CoASH concentration were determined indirectly by monitoring its reaction product with DTNB at 412nm.
5102	1	ESI-MS Assay	Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for CypA which rely on the use of soft-ESI conditions to preserve noncovalent interactions between protein and ligand.
5102	2	Fluorescence Assay	The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay.  The fluorescence assay takes advantage of the presence of a single tryptophan residue (Trp121) located close to the active site of CypA.
5102	3	PPIase Assay	The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay.  The PPIase assay assesses the abil9ity of ligands to inhibit the PPIase activity of CypA.
5103	1	Enzyme Inhibition Assay	The phosphorylation of L-Hse was monitored by coupling the formation of ADP with pyruvate kinase and lactate dehydrogenase (PK/LDH).  The resulting oxidation of NADH was monitored at 340 nm by using a SpectraMax plate reader in a 96-well format.
5104	1	Enzyme Assay	Kinetic enzyme assays were performed in a 384-well, white plates (Nunc) on a Wallac Victor 2 plate reader using human DCTPP1 and triptolide and analogues.
5105	1	Fluorescene-based Assay	Fluorescene-based assay using beta-glucocerebrosidase.
6508	1	FLIPR Assay	Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Galpha 15 protein on the FLIPR (Fluorescent Imaging Plate Reader) Tetra system. Cells were maintained in culture media containing DMEM (Dulbecco's Modified Eagle Medium) with 4.5 g/L glucose, 10% fetal bovine serum, 100 U/mL, 1x non-essential amino acid, and 250 ug/mL G418 (Geneticin). Prior to testing of compounds, cells were plated at 10,000 cells/well in clear bottom 384-well black plate, and incubated overnight at 37C. with 5% CO2. On the day of experiment, culture media was removed, and replaced with assay buffer HBSS (Hanks' Balanced Salt Solution) with 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) and 0.1% BSA (bovine serum albumin) BSA containing calcium 5 dye (Molecular Devices) and 2.5 mM probenecid. After 1 hour incubation at 37C., 5% CO2 for 60 min, cells were pre-incubated with compounds for 30 minutes.
5158	1	Biological Assay	The inhibitory activities of the compounds toward aromatase were determined in vitro using human placental microsomes and [1,2,6,7-3H]-androstenedione.
5159	1	Inhibition Assay	The DHO-catalyzed hydrolysis of dihydrooroate was monitored spectrophotoetrically at 230 and 280 nm using a SPECTRAmax (Molecular Device) plate reader.
5160	1	Inhibition Assay	Butyrylcholinesterase type IV-S, lyophilized from horse serum (sigma Chemical Co.) was used without further purification.  HPLC analyses (Thermo Separation Products, Spectra SYSTEM 2000) were performed on an RP-18 column at 40 C.
5161	1	Enzyme Inhibition Assay	The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition.  The principle of these assay with synthetic 2-naphthylamide substrates is based on the absorbance at 530nm of a chromophoric complex formed by the reaction product 2-naphthylamine with Fast Blue B salt.
5162	1	DELFIA Assay	In order to figure whether these compounds were capable of displacing the interactions between Bci-XL and it&#39;s pro-apoptotic counterparts, it was testes in a heterogeneous lanthanide-based assay that have recently developed based on the DELFIA (dissociation enhanced lanthanide fluoro-immuno assay)technology (Perkin-Elmer).
5163	1	Enzymatic Assay	Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Escherichia coli, MurD from E. coli, MurE from Staphylococcus aureus, and MurF from E coli.  The detection of the orthophosphate generated during the reaction was based on the colorimetric Malachite green method.
5164	1	Fluorimetric Assay	The MMP assay were performed evaluating the ability of compounds 1a-6a and 1b-6b to prevent the hydrolysis of the fluorescence-quenched peptide substrate Mca-Pro-Gly-Leu-Dpa-ala-Arg-NH2.
5165	1	Enzyme Assay	The enzyme was assayed at pH 7.0 using the pyruvate kinase/lactate dehydroenase coupling system.
5166	1	Enzyme Assay	The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside.  All assays were carried out in the presence of 0.05M sodium acetate buffer (pH 5.6) and 0.1 mM EDTA at 37 C.
5167	1	Spectrophotometric Assay	Spectrophotometric assay using crude human, recombinant DHODHase.
5168	1	Enzyme Assay	Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous quantitation of glutamate in a coupled assay with glutamate dehydrogenase in the presence of acetylpyridine adenine dinucleotide.
6509	1	Enzyme Assay	Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sourced from Invitrogen (see table below). This activity-assay measures the phosphorylation of tyrosine residues within a substrate from the HTRF kit which has been validated by Cisbio for a variety of tyrosine kinases including the TRK receptors.  Assay details: Target:TRKA; Invitrogen Cat# PV3144; Amino acids:aa 441-796; FAC enzyme:4nM; FAC ATP:40uM; Assay Reaction Time:35min.
5208	1	Enzyme Inhibition Assay	The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-dehydrogenase (method A). ATPase activity was measured by spectrophotometric measurement of the rate of oxidation of NADH in the presence of phospho-enol-pyruvate, pyruvated-kinase and lactate-dehydrogenase (method B).
5209	1	Enzyme Inhibition Assay	Enzyme inhibition assay using neutrol endopeptiase EC 3.4.24.11 (NEP).
5210	1	Inhibition Assay	Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system.  The activity of the cfTR was observed from the rate of oxidation of the co-substrate NADPH to NADP+ as measured by a decrease in absorbance at 340nm.
5211	1	Inhibition Assay	AdoMet synthetase activity was measured by a radioactive assay using (14C-methyl)-L-methionine as described by Sullivan and Hoffman with minor modification to give better efficiency in the separation of labelled residual methionine and AdoMet formed.
5212	1	Enzyme Assay	MAO-B activity was measured by the spectrofluorimetric method of Morinan and Garratt.
5213	1	Enzyme Assay	The enzyme were assayed spectrophotometrically at 410nm with p-nitroanilide substrates at 25 C.
5214	1	Inhibition Assay	Inhibition assay of human testes mcrosomal 17 beta-hydroxysteroid dehydrogenase for the reduction of androstenedione.
5215	1	Inhibition Assay	Glycosylasparaginase activity was measured in citrate-phosphate buffer at pH 5.8 at 37 C.  N-Acetyl-D-glucosamine released during the reaction was measured using the Morgan-Elson assay.
5239	1	Inhibition Assay	Inhibition assay using human Carbonic anhydrase I and II and bovine carbonic anhydrase IV. 
5240	1	Enzyme Assay	The classical 3H2O assay was used to measure the effect of the flavones on aromatase activity using human placental microsomes.
5241	1	Inhibition Assay	The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam spectrophotometer (Shimadzu 2600) at room temperature.  
5242	1	AANAT Assay	The compounds were evaluated in a human serotonin N-acetyltransferase assay.
5257	1	Tyrosine Kinase Assay	Takara Universal Tyrosine Assay Kit (Takara-bio co) was used to test the synthesized compounds.  This assay kit determines the inhibition activities of inhibitors against a substrate of tyrosine kinase.
5258	1	Inhibition Assay	Inhibition of alklbenzaldehydes on tyrosinase enzyme.
5259	1	CA Assay	The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 instrument interfaced with an IBM compatible PC.
5260	1	Enzyme Inhibition Assay	Enzyme inhibitory activity using recombinant human chymase.
5300	1	Inhibition Assay	Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.
5301	1	Kinase Assay	Kinase activities were assayed according to the methodology developed by the Cell Cycle Group of the Station Biologique (CNRS).
5302	1	Xanthine Oxidase Inhibition Assay	Inhibition assay of the xanthine oxidase reaction by various purine based inhibitors was measured in terms of the decrease in uric acid formation at 293nM.  
5303	1	Inhibition Assay	Tyrosinase inhibition assays were performed in a 96-well microplate format using SpectraMax 340 (Molecular Devices, CA, USA) microplate reader according to method developed earlier.
6511	1	Enzyme Assay	IC50 determination in the LpxC enzyme assay was carried out in a similar manner to that described by Malikzay et al in the 2006 Poster, Screening LpxC (UDP-3-O(R-3-hydroxymyristoyl)-GlcNAc deacetylase) using BioTrove Rapid Fire HTS Mass Spectrometry (aNew Lead Discovery and bInflammation and Infectious Disease, cStructural Chemistry, Schering-Plough Research Institute, Kenilworth, N.J. 07033, (BioTrove, Inc. 12 Gill St., Suite 4000, Woburn, Mass. 01801). Briefly, Pseudomonas aeruginosa LpxC enzyme (0.1 nM) purified from E. coli-overexpressing bacteria was incubated at 25° C. in a final volume of 50 ul containing 0.5 uM UDP-3-O(R-3-hydroxydecanoyl)-N-acetylglucosamine, 1 mg/mL BSA, and 50 mM sodium phosphate buffer, pH 8.0 in the presence and absence of inhibitor compound. At the end of 1 hour, 5 ul of 1N HCl was added to stop the enzyme reaction; the plates were centrifuged, and then processed with the BioTrove Rapidfire HTMS Mass Spectrometry System.
5357	1	Enzyme Inhibition Assay	In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse.  The IC50 values were calculated using the EX-Fit enzyme kinetics program (Perrella Scientific Inc., Amherst, USA).
5357	2	Inhibition Assay	In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method developed by Tappel.  Lipoxygenase type I-B adn linoleic acid were purchased from sigma (St. Loius, MO, USA).
5358	1	Aromatase Assay	The classical 3H2O assay was used to measure the effect of the inhibitor compounds on aromatase activity using human placental microsomes.
5359	1	Enzyme Inhibition Assay	AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method.  all the inhibition studies were performed using a Spectra Max microplate spectrophotometer from Molecular Devices, CA, USA. 
5360	1	Inhibition Assay	soybean lipoxygenase and linoleic acid sodium salt were obtained from Sigma Chemical, Co. in St. Louis, MO.  Each experiment of the in vitro assay was performed at least in triplicate and the standard deviation of absorbance was less than 10% of the mean.
5392	1	Catecholase Activity Assay	Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentrations of 11.11 and 112.68 ug/mL at wavelenghts of 473 nm and 352 nm using a Cary spectrophotometer, 100 Biomodel with jacketed cell holders.
5392	2	Cresolase Activity Assay	Kinetic assay of catecholase and cresolase activities was carried out through depletion of MeBACat and MePAPh for 1 or 2 min with enzyme concentrations of 11.11 and 112.68 ug/mL at wavelenghts of 473 nm and 352 nm using a Cary spectrophotometer, 100 Biomodel with jacketed cell holders.
5393	1	Esterase Activity Assay	Carbonic anhydrase enzyme activity was assayed both with respect to its hydratase activity (i.e. hydration of CO2) and to its esterase activity (i.e. hydrolysis of an ester of p-nitrophenylacetate)
5393	2	Hydratase Activity Assay	Carbonic anhydrase enzyme activity was assayed both with respect to its hydratase activity (i.e. hydration of CO2) and to its esterase activity (i.e. hydrolysis of an ester of p-nitrophenylacetate)
5394	1	Inhibition Assay	In vitro liposygenase inhibition assay activity was measured by modifying the spectrophotometric method developed by Tappel.  The compound was prepared in methanol at various concentrations (50, 25, 12.5, 6.25 and 3.215 uM).  The inhibition by lipoxygenase activity by 50% (IC50) was determined by monitoring the effect of increasing concentrations of these compounds in the assays on the degree of inhibition. 
5395	1	Inhibition Assay	Lipoxygenase inhibiting activity was measured by slightly modifying the spectrometric method.  Lipoxygenase type I-B and linoleic acid were purchased from Sigma.  
5396	1	Cathepsin Inhibition Assay	The fluorescence for the assay was monitored on a Varian Gemini spectrofluorometer with the excitation and emission wavelengths at 380 and 440nm.  The substrate used for both cathepsin B and cathepsin L was Cvz-Phe-Arg-MCA.
5397	1	Cholinesterase Inhibition Assay	Butyrylcholinesterase activity-inhibiting activities were measured by a slightly modified spectrophotometric method developed by Ellman.  DTNB was used for the measurement of cholinesterase activity and butyrylthiocholine chloride was used as a substrate.
5397	2	Lipoxygenase Inhibition Assay	LOX inhibiting activity was measured by modifying the spectrophotometric method developed by Tappel.  
5398	1	GST Inhibition Assay	A range of natural product were screened for inhibition of AgGSTE2.  GST activity was monitored by measuring absorbance at 340 nm with time, using a SpectraMax 340 microplate spectrophotometer equipped with a kinetics mode from Molecular Devices, Sunnyvale, California, USA.
5399	3	Enzyme Assay	Enzyme assay using lactate dehydrogenase A (LDHA).
5399	2	Surface Plasmon Resonance (SPR) Assay	A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format.
5399	1	Nuclear Magnetic Resonance (NMR) Assay	NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe.  Ligand binding was detected using WaterLOGSY and T1p-filtered 1D experiments in combination with 2D 1H-15N TROSY-HSQC experiments to provide binding-site and kd information.
5436	1	Inhibition Assay	The evaluation of Plk1 PBD binding affinities of the synthetic compounds using an ELISA-based 96-well assay.
6522	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfer (or Foerster resonance energy transfer) describes an energy transfer between donor and acceptor fluorescent molecules. For this assay, human MDM2 protein (amino acids 2-188) and human MDM4 protein (amino acids 2-185), tagged with a C-terminal biotin moiety, are used in combination with a Europium labeled streptavidin (Perkin Elmer, Inc., Waltham, Mass., USA) serving as the donor fluorophore. The p53 derived, Cy5 labeled peptide Cy5-TFSDLWKLL (p53 aa18-26) is the energy acceptor. Upon excitation of the donor molecule at 340 nm, binding interaction between MDM2 or MDM4 and the p53 peptide induces energy transfer and enhanced response at the acceptor emission wavelength at 665 nm.
6526	1	Inhibition Assay	The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements with different inhibitor concentrations. Reactions were started by addition of 0.05 ug of human or Plasmodium falciparum purine nucleoside phosphaorylase (HsPNP and PfPNP, respectively; final concentration 1.4 nM) to 1 mM inosine in 50 mM KPO4, pH=7.5 buffer with xanthine oxidase added to final concentration 60 mU/mL at 25 C. In the coupled assay, hypoxanthine formed by phosphorolysis of inosine was oxidized to uric acid and followed spectrophotometrically at 293 nm (extinction coefficient for uric acid epsilon(293)=12.9 mM-1). The dissociation constant for slow-onset tight-binding inhibitors was determined from reaction rates after slow onset inhibition had occurred according to the equation u =(kcat x S)/(Km(1+l/Kd)+S), where u is the steady state reaction rate after the slow-onset inhibition period has reached equilibrium.
6524	1	Inhibition Assay	Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The kinase reaction contains 30 uM substrate peptide, 20 uM ATP, 60 nM ligand and one of either 25 nM pre-activated Mnk1 or 2.5 nM pre-activated Mnk2a. The reaction buffer conditions are 16 mM HEPES/KOH pH 7.4, 8 mM MgCl2, 0.4 mM DTT, 0.08% (w/v) bovine serum albumin (BSA, Sigma, Germany, cat. no. A3059), 0.008% (w/v) Pluronic F127 (Sigma, Germany, cat. no. P2443), 3% (v/v) DMSO (Applichem, Germany, cat. no. A3006). The kinase reaction is at 30 C. for 40 min. The kinase reaction is terminated by addition of 0.67 reaction volumes of 1 uM antibody in 20 mM HEPES/KOH pH 7.4, 50 mM ethylenediaminetetraacetic acid, disodium salt (EDTA, Sigma, Germany, cat. no. E5134), 0.5 mM DTT, 0.05% (w/v) polyoxyethylene-sorbitan monolaureate (Tween 20, Sigma, Germany, cat. no. P7949).
5438	1	Reductase Activity Assay	Reductase activity was assayed by measuring the PDI-catalyzed reduction of insulin in the presence of DTT, thus measuring the aggregation of reduced insulin chains at 650nm.
5970	1	Inhibition Assay	HCV polymerase inhibition assay: HCV polymerase reactions were carried out using a modified  mothod of Howe et al., Antimicrobial Agents and Chemotherapy 2004 48(12): 4813-4821.
5971	1	IMAP Assay	Activated ERK2 activity was determined in the IMAP assay format.
5972	1	In Vitro Assay	In vitro activity assay using KSP.
5978	1	Inhibition Assay	Inhibition assay using beta-Secretase activity.
5976	1	In Vitro Inhibition Assay	In vitro inhibition assay using cathepsin.
5987	1	Enzyme Assay	The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.
5988	1	FLIPR Assay	FLIPR assay using S1P3 receptor inhibitor.
5992	1	Radioligand Binding Assay	Radioligand binding assay using muscarinic receptors.
6019	1	PIM-1 Enzyme Assay	The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate.  Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
6019	2	PIM-2 Enzyme Assay	The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate.  Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
6532	1	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318).
6537	1	TR-FRET Assay	The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in Tris buffer, pH 9.2 and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 ul) was added to the plate then 1 ul of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes. Substrate (10 ul) was then added, mixed.
5481	1	Binding Assay	Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Institute of Mental Health Psychoactive Drug Screening Program.
5482	1	In Vitro Kinase Assay	In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.
5483	1	JNK Kinase Assay	The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z&#39;-LYTE assay format.
5484	1	In Vitro Enzyme Assay	In vitro enzyme assays were conducted via the Ba(OH)2 precipiation method using recombinant human PDE1C, PDE3B, PDE5A1, PDE6C, PDE8A, PDE9A2, PDE10A1, PDE11A4, rat PDE2A, human PDE7A and human PDE4A10 enzyme.
5485	1	In Vitro Integrase Assay	The compound were evaluated in biochemical IN (integrase) assay that measure inhibitory potency (IC50 values)against both the 3&#39;-processing(3&#39;P)and strand transfer(ST)reaction.
5486	1	Fluorometric Assay	The Ki value were determine by a fluorometric assay with the fluorogenic and chromogenic substrate.
12389	3	FAP Protease Activity Assay	Recombinant mouse FAP (R&D systems, #8647-SE) was diluted in assay buffer (50 mM Tris, 1 M NaCl, 1 mg/mL BSA, pH 7.5) to a concentration of 3.6 nM. 25 ul of the FAP solution was mixed with 25 ul of a 3-fold serial dilution of the test compounds and incubated for 5 min in a white 96-well ProxiPlate (Perkin Elmer). As specific FAP substrate the FRET-peptide HiLyteFluor 488-VS (D-) P SQG K (QXL 520)NH2 was used (Bainbridge, et al., Sci Rep, 2017, 7:12524). 25 uL of a 30 uM substrate solution, diluted in assay buffer, was added. All solutions were equilibrated at 37 C. prior to use. Substrate cleavage and increase in fluorescence (excitation at 485 nm and emission at 538 nm) was measured in a kinetic mode for 5 minutes at 37 C. in a SPECTRAmax M5 plate reader. RFU/sec was calculated by SoftMax Pro software and plotted against test compound concentration.
5526	1	Inhibition Assay	The inhibition assay was followed under standard conditions with saturating concentrations of both substrates to determine the IC50 values.
5527	1	Enzyme Assay	Enzyme activity using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE).
5528	1	Inhibition Assay	MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sources.  The IC50 values were determined from a sigmoidal dose-response curves.
5529	1	Inhibition Assay	Inhibitory activity of synthesized alpha-unreidophosphonates were determined at 25 C by the colorimetric method of Ellman et al.
5545	1	Enzyme Activity Assay	The formation of ADP from ATP was quantified using a coupled enzyme assay (DiscoverX) in with a fluorescent resorufin dye is generated from the interaction of ADP with hydrogen peroxide and 10-acetyl-3,7-dihydroxy-phenoxazine (excitation and emission wavelenghts of 540 and 590 nm).
5546	1	Enzyme Inhibition Assay	Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.
5547	1	Enzyme Assay	The enzyme activities in the absence of drugs or chemicals were taken as 100%.  For each drug or chemical, an activity%-(drug) graph was drawn and drug concentrations producing 50% inhibition were calculated for the inhibitors. 
5548	1	Enzyme Assay	The enzyme activity was monitored by dopachrome formation at 475nm for an appropriate period.
5549	1	SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements. Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).  The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay. In this assay, an A3G protein, a single-strand DNA oligonucleotide with a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed. After incubation at room temperature, A3G deaminates C-to-U and
5550	1	Cellular PLD2 concentration response	Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) is a critical signaling lipid that is generated by the hydrolysis of phosphatidylcholine and other amine containing phospholipids. Phosphatidic acid participates in both G protein-coupled receptor and receptor tyrosine kinase signal transduction networks. Two mammalian isoforms of PLD have been identified, PLD1 and PLD2, which share 53% sequence identity and are subject to different regulatory mechanisms (1). Inhibition of PLD enzymatic activity leads to increased cancer cell apoptosis, decreased cancer cell invasion, and decreased metastasis of cancer cells (2,3); therefore, the development of isoform-specific PLD inhibitors is a novel approach for the treatment of cancer. In addition to the importance of PLD in cancer cell survival it has been shown that this enzyme is the major source of signaling PtdOH in many cells, including neutro
5551	1	PLD2 purified enzyme concentration response	Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) is a critical signaling lipid that is generated by the hydrolysis of phosphatidylcholine and other amine containing phospholipids. Phosphatidic acid participates in both G protein-coupled receptor and receptor tyrosine kinase signal transduction networks. Two mammalian isoforms of PLD have been identified, PLD1 and PLD2, which share 53% sequence identity and are subject to different regulatory mechanisms (1). Inhibition of PLD enzymatic activity leads to increased cancer cell apoptosis, decreased cancer cell invasion, and decreased metastasis of cancer cells (2,3); therefore, the development of isoform-specific PLD inhibitors is a novel approach for the treatment of cancer. In addition to the importance of PLD in cancer cell survival it has been shown that this enzyme is the major source of signaling PtdOH in many cells, including neutro
5552	1	PLD1 purified enzyme concentration response	Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) is a critical signaling lipid that is generated by the hydrolysis of phosphatidylcholine and other amine containing phospholipids. Phosphatidic acid participates in both G protein-coupled receptor and receptor tyrosine kinase signal transduction networks. Two mammalian isoforms of PLD have been identified, PLD1 and PLD2, which share 53% sequence identity and are subject to different regulatory mechanisms (1). Inhibition of PLD enzymatic activity leads to increased cancer cell apoptosis, decreased cancer cell invasion, and decreased metastasis of cancer cells (2,3); therefore, the development of isoform-specific PLD inhibitors is a novel approach for the treatment of cancer. In addition to the importance of PLD in cancer cell survival it has been shown that this enzyme is the major source of signaling PtdOH in many cells, including neutro
5553	1	Cellular PLD1 concentration response	Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) is a critical signaling lipid that is generated by the hydrolysis of phosphatidylcholine and other amine containing phospholipids. Phosphatidic acid participates in both G protein-coupled receptor and receptor tyrosine kinase signal transduction networks. Two mammalian isoforms of PLD have been identified, PLD1 and PLD2, which share 53% sequence identity and are subject to different regulatory mechanisms (1). Inhibition of PLD enzymatic activity leads to increased cancer cell apoptosis, decreased cancer cell invasion, and decreased metastasis of cancer cells (2,3); therefore, the development of isoform-specific PLD inhibitors is a novel approach for the treatment of cancer. In addition to the importance of PLD in cancer cell survival it has been shown that this enzyme is the major source of signaling PtdOH in many cells, including neutro
5557	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, compounds from Cherry Pick 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5558	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, compounds from Cherry Pick 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5559	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Lethal Factor protease, compounds from Cherry Pick 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5560	1	TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: John Colicelli, UCLA Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R01 CA136699-01A1 Grant Proposal PI: John Colicelli, UCLA External Assay ID: RIN1-ABL_INH_TRFRET_1536_3XIC50 DRUN Name: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). Description: Chromosome translocations that join the BCR and ABL1 (a.k.a. c-Abl) genes give rise to BCR-ABL1 fusion proteins causative in chronic myeloid leukemia (CML), some cases of acute lymphocytic leukemia (ALL) and occasionally other myeloproliferative disorders (1). In addition, ETV6 forms fusion oncogenes with ABL1 (2) and the closely related ABL2 (a.k.a. Arg) (3) in some leukemias. ABL
6541	1	Fluor de Lys Assay	Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer. The kit is a highly sensitive and convenient alternative to radiolabeled, acetylated histones or peptide/HPLC methods for the assay of histone deacetylases. This assay is based on the ability of HeLa nuclear extract, which is enriched in HDAC activity, to mediate the deacetylation of the acetylated lysine side chain of the Fluor de Lys substrate. The assay procedure requires two steps. First, incubation of the HeLa nuclear extract with the Fluor de Lys substrate results in substrate deacetylation and thus sensitizes it to the second step. In the second step, treatment of the deacetylated substrate with the Fluor de Lys developer produces a fluorophore. The substrate-developer reaction, under normal circumstances goes to completion in less than 1 min at 25 C.
6545	1	Scintillation Proximity Assay (SPA)	First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remove free biotin. Then compounds at varying concentrations were incubated with 15 nM CETP (reagent production group, In Vitro Pharmacology, MRL Rahway) and 50 ug/ml of the biotinylated LDL in 50 mM HEPES, 150 mM NaCl, pH 7.4, for 1 hour at 37° C. The reaction was started by adding 3H-cholesterol ester high density lipoprotein (HDL) (American Radiochemicals Corp) at a concentration of ~0.6 nM. The reaction proceeded for 2 hours at 37° C., after which time it was quenched by the addition of 12% acetic acid. PVT streptavadin-coated scintillation proximity beads, which had been brought to room temperature, were then added at a concentration of 4 mg/ml. The assay was then mixed and counted after one half hour in a Microbeta plate reader.
6024	1	Binding Assay	Compounds area assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a scintillaion proximity assay format (adapted from S. Charleson et. al., Mol. Pharmacol., 1992,41 873-879).
6036	1	In Vitro Inhibition Assay	This assay was used to determine a compound&#39;s potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.
6558	1	Biochemical Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Specific peptide or protein substrates are trans-phosphorylated by their specific serine-threonine or tyrosine kinase, in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% cold ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity.Supernatant, containing the phosphorylated substrate, is subsequently withdrawn and transferred into a counting plate, then evaluated by beta-counting.Reagents/Assay Conditions    i. Dowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 1x8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down.
6559	1	In Vitro Inhibition Assay	Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-8971, 1993; Liaw et al., Endocrinology 137, 72-77, 1996) are propagated in Dulbecco's modified Eagle medium supplemented with 10% foetal calf serum, non-essential amino acids, 100 U/ml penicillin, 100 mg/l streptomycin and 1 g/l geneticin (G418). For cyclic AMP determinations the Homogeneous Time-Resolved Fluoresce (HTRF) cAMP dynamic 2 kit (Cisbio International, France) was used as per manufacturers' instructions. CHO cells, previously cryopreserved, were thawed, centrifuged for 7 mins at 1200 rpm and resuspended in serum free media, then pipetted out onto clear bottomed black tissue culture treated 384-well microtitre plates (Corning Inc, US) at 2,000 cells per well. Compounds of the invention, prepared in DMSO, and subsequently diluted 50 fold in assay buffer (1x Hanks balanced salt solution, 0.2% (w/v) bovine serum albumin.
6570	1	Inhbition Assay	The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).
6575	1	Inhibition Assay	Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 &#956;L was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 &#956;M final concentration of SAH and negative control (0% inhibition standard) contained 1 &#956;L of DMSO. Compound 75 was then incubated for 30 minutes with 40 &#956;L per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 &#956;L per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer).
6576	1	High ATP Caliper Endpoint Assay	JAK3 enzyme (Invitrogen) stock solution is made up at 4.1 uM in sterile water. JAK3 enzyme stock is diluted to 2 nM in assay buffer (10 mM HEPES free acid pH 7.5, 10 mM HEPES free base pH 7.5, 10 mM MgCL2, 0.0005% Tween-20, 0.01% BSA) containing 2 mM DTT (all supplied by Sigma). ATP is made up at 10 mM stock in sterile water and diluted to 800 uM in assay buffer. Peptide (American peptide company) is made up at 30 mM in 100% DMSO and diluted to 3 uM in assay buffer. Stop buffer comprises 140 mM HEPES, 22.5 mM EDTA (Sigma) and 0.15% coating reagent (Caliper Life Sciences).Assays are performed in Greiner polypropylene 384 well plates. Following compound preparation within the plate 10 ul of enzyme in assay buffer containing DTT is added using a Multidrop Micro. Final assay concentration of enzyme is 1 nM. Compound and enzyme are pre-incubated for 60 minutes at room temperature using low evaporation lids before addition of 10 ul ATP/peptide mixture in assay buffer.
6576	2	High ATP Caliper Endpoint Assay	JAK1 enzyme (Invitrogen) stock solution is made up at 5.2 uM in sterile water. JAK1 enzyme stock is diluted to 20 nM in assay buffer (10 mM HEPES free acid pH 7.5, 10 mM HEPES free base pH 7.5, 10 mM MgCL2, 0.0005% Tween-20, 0.01% BSA) containing 2 mM DTT (all supplied by Sigma) with the addition of one protease tablet per 25 mls buffer (Roche). ATP is made up at 10 mM stock in sterile water and diluted to 5 mM in assay buffer. Peptide H236 (Caliper Life Sciences) is made up at 1.5 mM in 100% DMSO and diluted to 3 uM in assay buffer. Stop buffer comprises 140 mM HEPES, 22.5 mM EDTA (Sigma) and 0.15% coating reagent (Caliper Life Sciences).Assays are performed in Greiner polypropylene 384 well plates. Following compound preparation within the plate 10 ul of enzyme in assay buffer containing DTT is added using a Multidrop Micro. Final assay concentration of enzyme is 10 nM. Compound and enzyme are pre-incubated for 30 minutes at room temperature.
6585	1	Fluorescence Polarization Ligand Binding Assay	The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-length glucocorticoid (GR) protein. Reagents for this assay are purchased from Invitrogen in a test kit. A fluorescent labeled GR ligand is used as a fluorescent tracer and test compounds compete with the fluorescent tracer for GR binding. The change in polarization value in the presence of test compounds is due to binding of test compounds to GR and is used to determine IC50 and relative binding affinity of test compounds for GR.
6588	1	Binding Assay	Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-peptide NK3 antagonist, was used as a ligand, and SB222200 was used as a positive control reference compound. The assay was performed with cell membrane homogenates (24 ug protein) incubated for 120 min at 22 C. with 0.4 nM [3H]SR142801 in the absence or presence of the test compound in a buffer containing 20 mM Hepes/NaOH (pH 7.4), 120 mM NaCl, 1 mM MnCl2, 0.01% bacitracin, 0.002% aprotinin and 0.1% BSA. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) that had been presoaked with 0.3% PEI. The filters were rinsed several times with ice-cold 50 mM Tris/HCl using a 96-sample cell harvester (Unifilter, Packard), dried, and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
6579	1	Radioligand Binding Assays	The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for binding to CB2 relative to CB1 receptors.HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 210 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000xg for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer.
6581	1	Inhibition Assay	Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production is determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves.
6584	1	Enzymatic Assay	Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E, Rich D H. Determination of kinetic constants for peptidyl prolyl cis-trans isomerases by an improved spectrophotometric assay. Biochemistry. 1991 Jun. 25; 30(25):6127-34). The assay buffer (25 mM Hepes, 100 mM NaCl, pH 7.8) and CypA, B or D (1900 nM stock solution) were pre-cooled to 4 C., to which then was added 5 uL of 50 mg/ml chymotrypsin in 1 mM HCl. The reaction was initiated by adding 20 uL of 3.2 mM peptide substrate (Suc-Ala-Ala-cis-Pro-Phe-pNA) in LiCl/TFE solution with rapid inversion. After a delay from the onset of mixing, the absorbance of p-nitroaniline was followed at 390 nM until the reaction was complete (1 min). The final concentration of LiCl in the assay was 20 mM; TFE was present at a concentration of 4% (v/v). Absorbance readings were collected every 1 s by spectrophotometer.
6043	1	Kinase Assay	The activity of the compounds according to the invention on the kinase PDK1 which inhibits the signal transduction pathway is determined in an in vitro kinase assay with recombinantly prepared protein.
6050	3	Inhibition Assay (KDR)	Compounds may be screened for their ability to inhibit KDR using a standard coupled enzyme assay (Fox et al., Protein Sci., (1998) 7, 2249).
6594	1	Gel-Based Assay	Tdp1 reactions were performed as recently described. Briefly, a 5'-[32P]-labeled single-stranded DNA oligonucleotide containing a 3'-phosphotyrosine (N14Y) incubated with 5 pM recombinant Tdp1 in the absence or presence of inhibitor for 15 min at room temperature in a buffer containing 50 mM Tris HCl, pH 7.5, 80 mM KCl, 2 mM EDTA, 1 mM DTT, 40 ug/ml BSA and 0.01% Tween-20. Reactions were terminated by the addition of 1 volume of gel loading buffer [99.5% (v/v) formamide, 5 mM EDTA, 0.01% (w/v) xylene cyanol, and 0.01% (w/v) bromophenol blue]. Samples were subjected to a 16% denaturing PAGE and dried gels were exposed to a PhosphorImager screen (GE Healthcare). Gel images were scanned using a Typhoon 8600 (GE Healthcare) and densitometric analyses were performed using the ImageQuant software (GE Healthcare).Binding experiments were performed as recently described. Briefly, Tdp1 was amine coupled to a CM5 sensor chip (GE Healthcare, Piscataway N.J.).
6597	1	Forward Mode Assay	The assay is based on the monitoring of intracellular Ca2+concentrations using the PBX Calcium Assay Kit from BD (Becton, Dickinson and Company) with calcium indicator dye 51-9000177BKa (BD, 640177), CHO cells expressing NCX1 were loaded with the dye, and after a preincubation period with the test compound, lonomycin (Calbiochem, 407950) was added. Ionomycin is an ionophor for Ca2+ions mediating an increase of intracellular Ca2+ions. Consequently, intracellular Ca2+ions are exchanged against extracellular Na+ions (Ca2+efflux, forward mode). The decrease of intracellular Ca2+ions was detected by measuring the fluorescence of the calcium indicator dye at a wavelength of 520 nm by a FLIPR device.Briefly, similarly as for the reverse mode, for the forward mode transport assay 18000 cells per well were seeded into a 96 well microplate (Corning COSTAR 3904) and incubated overnight in culture medium (cf. above). A total volume of 100 ul medium per well was used.
6609	2	Kinase Assay	The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerol phosphate, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of GST-JAK1 enzyme with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 ul of 35 mM EDTA to each sample. Each reaction mixture was analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison with no enzyme control reactions for 100% inhibition, and vehicle-only treated reactions for 0% inhibition. The final concentration of reagents in the assays was: ATP, 100 uM; fluoresceinated peptide.
6044	1	Inhibiton Assay	Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).
6051	1	Binding Assay	Radioligand binding assay:  The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline was used at a concentration equal to the calculated Kd value of 60 nM to give a total binding at around 0.1% of the total added radioligand concentration, and a specific binding which represented approximately 70-80% of the total binding. 
6054	2	Binding Assay	5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosci 1987, 7: 894-903). 5-HT1B (rat cerebral cortex) binding assays (agonist radioligand) were performed according to the method of Hoyer et. al. (Eur. J. Pharmacol. 1995, 118: 1-12). 
6063	1	Binding Assay	Radioligand receptor binding inhibitory assay using human NK receptor.
6613	1	Enzyme Assay	Ketoglutaric acid alpha -[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay may be fragments of HIFalpha as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. For example, a HIF peptide for use in the HIF-PH assay is [methoxycoumarin]-DLDLEALAPYIPADDDFQL-amide. HIF-PH, e.g., HIF-PH2 (EGLN1), can be expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity is determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contain 50 mM HEPES (pH 7.4), 100 uM alpha -ketoglutaric acid sodium salt, 0.30 uCi/mL ketoglutaric acid alpha -[1-14C]-sodium sodium salt.
6631	1	Binding Assay	Membranes from CHO/Galpha16 cells stably transfected with human hMCH-1R are resuspended using a syringe (needle 0.6x25 mm) and diluted in test buffer (50 mM HEPES, 10 mM MgCl2, 2 mM EGTA, pH 7.00; 0.1% bovine serum albumin (protease-free), 0.021% bacitracin, 1 ug/ml aprotinin, 1 ug/ml leupeptin and 1 uM phosphoramidone) to a concentration of 5 to 15 ug/ml. 200 microliters of this membrane fraction (contains 1 to 3 ug of protein) are incubated for 60 minutes at ambient temperature with 100 pM of 125I-tyrosyl melanin concentrating hormone (125I-MCH commercially obtainable from NEN) and increasing concentrations of the test compound in a final volume of 250 microliters. After the incubation the reaction is filtered using a cell harvester through 0.5% PEI treated fibreglass filters (GF/B, Unifilter Packard). The membrane-bound radioactivity retained on the filter is then determined after the addition of scintillator substance (Packard Microscint 20).
6637	1	Scintillation Proximity Assay	The ability of a compound to inhibit PDE10 enzymatic activity can be demonstrated by any number of assays that are known in the art. The products of Examples 1-175 were tested in the assay described below.PDE10 activity was measured using a scintillation assay (SPA-based method) similar to that previously described by Seeger, T. F. et al., Brain Research 985 (2003) 113-126. The compounds' relative activity as PDE10 inhibitors was investigated by assaying a fixed amount of enzyme in the presence of the test compound and low substrate concentration (cAMP) such that an IC50 could be determined. More specifically, this assay uses a Scintillation Proximity Assay (SPA) to measure the inhibition of rat1 and human recombinant2 PDE10 enzyme activity by compounds in vitro (preparation of enzymes described below). The assay is performed in a 384-well format with 50 uL assay buffer (50 mM TRIS pH 7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE10.
6638	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen). Recombinant, phosphorylated p38 MAPK (MAPK12:Millipore) was diluted in HEPES buffer, mixed with compound at the desired final concentrations and incubated for 2 hr at RT. The FRET peptide (2 uM) and ATP (100 uM) were next added to the enzyme/compound mixture and incubated for 1 hr. Development reagent (protease) was added for 1 hr prior to detection in a fluorescence microplate reader. The site-specific protease only cleaves non-phosphorylated peptide and eliminates the FRET signal. Phosphorylation levels of each reaction were calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor) with high ratios indicating high phosphorylation levels and low ratios indicating low phosphorylation levels.
6640	1	Cell-Free Kinase Assay	The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic assays. Recombinant human kinases such as, for example, Erk2, PI3Kalpha, -beta, -gamma, -delta, p38alpha, p38gamma, Jnk1, Jnk2 and others were used in this case, partly as full-length kinases, partly as shortened fragments, but at least consisting of the functional kinase domains. The commercial kinase proteins (Proqinase, Upstate) were used as recombinant fusion proteins with GST (glutathion-S-transferase) or His-Tag. Depending on the type of substrate, the various kinase reactions were quantified by means of suitable ALPHA beads (Perkin-Elmer).  The substance testing is described in detail hereinafter for the Erk assay. Selected test results of the Erk2, PD3Kalpha, p38alpha and Jnk2 assays are given below.
6074	1	Binding Assay	The binding assay was performed using 22.5 pM [125I]-angiotensin II [manufactured by PerkinElmer, USA] (9 &#956;g) in the presence of AT1 membrane and test compound.
6649	1	In Vitro Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art.
6653	1	Kinase Assay	Typically frozen cells from 10 L of Tn5 cell culture were resuspended in Lysis Buffer 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 5 mM imidazole, 1 mM NaF, 0.1 ug/mL okadaic acid (OAA), 5 mM BME, 1 Complete protease inhibitor cocktail EDTA-free (20 tablets/1 L buffer, Roche Applied Sciences), benzonase (25 U/mL lysis buffer, EMD Biosciences) at a ratio of 1:10 v/v pellet to Lysis Buffer ratio, and mechanically lysed by douncing 20 strokes using a tight-fitting pestle. The lysate was centrifuged at 45,000 g for 30 minutes, and the supernatant was loaded onto a pre-equilibrated IMAC column (5 mL resin/100 mL lysate). The column was washed with 3-5 column volumes of Lysis Buffer, followed by a second wash of 3-5 column volumes with 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 40 mM imidazole, 1 mM NaF, 0.1 ug/mL OAA, 5 mM BME, 1 Complete protease inhibitor cocktail EDTA-free. Protein was eluted with 20 mM Tris-Cl, pH 7.5, 500 mM NaCl, 5% glycerol, 250 mM imidazole.
5562	1	Dose Response of Small Molecules that Regulate V-ATPase Proton Transport in Yeast using pHLuorin, Cherry Pick 2	University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPase Proton Transport in Yeast Assay Provider: Karlett Parra Ph.D Lead Biologist:  Mark Carter MS Chemistry Center/ PI: Specialized Chemistry Center: Assay Implementation: Chun-Yuan Chan, Stephanie Chavez, Dominique Perez, Matthew Garcia, Terry Foutz, Anna Waller Ph.D, Annette Evangelisti Ph.D,  Gergely Zahoransky-Kohalmi Assay Background and Significance: Distributed among the endomembrane system of all eukaryotic cells, V-ATPase proton pumps are responsible for acidification of intracellular compartments. V-ATPases maintain the low pH necessary for endocytic and exocytic vesicular transport, zymogen activation, and protein sorting and degradation. Enveloped viruses, such as influenza virus, as well as toxins, such as diphtheria toxin, enter cells via acidic endosomal compartments, in which low pH is maintained by V-ATPases. Because the
5563	1	JHICC_CHT_Inh_3H uptake_CRC	Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Alicia Ruggiero, Ph.D., Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03DA028852-01 Grant Proposal PI: Alicia Ruggiero, Ph.D., Vanderbilt University Medical Center Assay Implementation: Meng Wu Ph.D., Xiaofang Huang, M.S., Zhihong Lin, Ph. D., Kaiping Xu, M.S., Shunyou Long, M.S., and Owen McManus, Ph.D. Description: In the brain, the chemical acetylcholine (ACh) exerts powerful modulatory control over arousal, motor and cognitive circuits, and has been found to be deficient in Alzheimer&#39;s Disease (AD). The current drugs available to positively impact cognitive deficits in Alzheimer&#39;s Disease (AD) and other dementias are the cholinesterase inhibitors.  These prevent the breakdown of the neurotransmitter
5566	1	Dose Response of Small Molecules that Regulate V-ATPase Proton Transport in Yeast using pHLuorin, Powder Set1	University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPase Proton Transport in Yeast Assay Provider: Karlett Parra Ph.D Lead Biologist:  Mark Carter MS Chemistry Center/ PI: Specialized Chemistry Center: Assay Implementation: Mark Carter, Chun-Yuan Chan, Stephanie Chavez, Dominique Perez, Matthew Garcia, Terry Foutz, Anna Waller Ph.D, Annette Evangelisti Ph.D, Gergely Zahoransky-Kohalmi Assay Background and Significance: Distributed among the endomembrane system of all eukaryotic cells, V-ATPase proton pumps are responsible for acidification of intracellular compartments. V-ATPases maintain the low pH necessary for endocytic and exocytic vesicular transport, zymogen activation, and protein sorting and degradation. Enveloped viruses, such as influenza virus, as well as toxins, such as diphtheria toxin, enter cells via acidic endosomal compartments, in which low pH is maintained by V-ATPases.
5567	1	Dose-response confirmation of microRNA-mediated mRNA deadenylation inhibitors by fluoresence polarization assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: R03 MH094198-01 Assay Provider: Kalle Gehring, Ph.D., McGill University The regulation of gene expression is a mechanism that allows cells to respond to growth and proliferation stimuli, stress, and nutrient availability. It is managed at multiple levels: mRNA expression, mRNA translation initiation and mRNA decay (1). MicroRNAs (miRNAs) are endogenous small RNAs that post-transcriptionally regulate gene expression to control a wide range of biological processes including cell growth, division and differentiation, as well as metabolism and development. The poly(A) tail of mRNA is bound by several molecules of the poly(A)-binding protein (PABP), an abundant cytoplasmic protein in eukaryotes that promotes translation (2). PABPC1 is a multi-domain protein t
5568	1	Dose-response secondary confirmation of microRNA-mediated mRNA deadenylation inhibitors by fluoresence polarization assay using Cy5 labeled peptide	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: R03 MH094198-01 Assay Provider: Kalle Gehring, Ph.D., McGill University The poly(A) tail of mRNA is bound by several molecules of the poly(A)-binding protein (PABP), an abundant cytoplasmic protein in eukaryotes that promotes translation (2). PABPC1 is a multi-domain protein that contains four phylogenetically conserved RNA recognition motifs (RRM1-4) (3,4) a proline-rich unstructured region and a 70-residue C-terminal domain termed Mlle or PABC (5). Mlle (Mademoiselle) refers to the conserved KITGMLLE signature motif of this domain. The Mlle domain binds proteins with a 12-15 amino acid motif termed PAM2 to regulate PABPC1 involvement in mRNA decay. The goal of this grant is to screen for small molecule modulators of Mlle interactions as chemical probes
5572	1	Dose Response with BCECF Assay for V-ATPase inhibitors that increase vacuolar pH, Powder Set 1	University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPase Proton Transport in Yeast Assay Provider: Karlett Parra Ph.D Lead Biologist:  Mark Carter MS Chemistry Center/ PI: Specialized Chemistry Center: Assay Implementation: Mark Carter, Chun-Yuan Chan, Matthew Garcia, Terry Foutz, Anna Waller Ph.D, Annette Evangelisti Ph.D, Gergely Zahoransky-Kohalmi Assay Background and Significance: Distributed among the endomembrane system of all eukaryotic cells, V-ATPase proton pumps are responsible for acidification of intracellular compartments. V-ATPases maintain the low pH necessary for endocytic and exocytic vesicular transport, zymogen activation, and protein sorting and degradation. Enveloped viruses, such as influenza virus, as well as toxins, such as diphtheria toxin, enter cells via acidic endosomal compartments, in which low pH is maintained by V-ATPases. Because the pH influences most aspe
5573	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Lethal Factor protease, compounds from Cherry Pick 02	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5574	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, compounds from Cherry Pick 02	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5575	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, compounds from Cherry Pick 02	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5576	1	Dose Response selectivity of inhibitors of Striatal-Enriched Phosphatase (STEP) in a SHP2 (PTPN11) Inhibition Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R03MH095532-01 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Disturbance of the dynamic balance between protein tyrosine phosphorylation and dephosphorylation is crucial for the development of many serious conditions, including cancer, diabetes, and autoimmune disorders. This is the first time that tyrosine phosphatase inhibitors are being proposed to improve cognitive function in Alzheimer&#39;s disease (AD). STriatal-Enriched Phosphatase (STEP) is a brain-specific protein tyrosine phosphatase that is highly expressed in regions where consolidation of memory occurs and regulates the internalization of NMDARs. Our recent work demonstrates that STEP is elevated in the prefrontal cortex of human AD patients
5577	1	Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH094180-01 Assay Provider: Dr. Raymond Deshaies, California Institute of Technology, Pasadena, CA Protein modification by the attachment of ubiquitin to cellular proteins is a key mechanism in regulating many cellular and physiological processes. Ubiquitin is covalently attached via an enzymatic cascade to target proteins through an isopeptide bond between the C-terminus of ubiquitin and a lysine residue of the acceptor substrate [1]. Assembly of a chain of >=4 ubiquitins linked together via Lys48 of ubiquitin marks cellular proteins for degradation by the 26S proteasome [2-3].  The 26S proteasome is a 2.5 megadalton macromolecular protein complex that comprises two distinct subparticles: the 19S cap regulatory particle (RP) and the 20S core
5578	1	Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH094180-01 Assay Provider: Dr. Raymond Deshaies, California Institute of Technology, Pasadena, CA Protein modification by the attachment of ubiquitin to cellular proteins is a key mechanism in regulating many cellular and physiological processes. Ubiquitin is covalently attached via an enzymatic cascade to target proteins through an isopeptide bond between the C-terminus of ubiquitin and a lysine residue of the acceptor substrate [1]. Assembly of a chain of >=4 ubiquitins linked together via Lys48 of ubiquitin marks cellular proteins for degradation by the 26S proteasome [2-3].  The 26S proteasome is a 2.5 megadalton macromolecular protein complex that comprises two distinct subparticles: the 19S cap regulatory particle (RP) and the 20S core
5579	1	Dose response confirmation of uHTS small molecule inhibitors of Striatal-Enriched Phosphatase via a fluorescence intensity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R03MH095532-01 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Disturbance of the dynamic balance between protein tyrosine phosphorylation and dephosphorylation is crucial for the development of many serious conditions, including cancer, diabetes, and autoimmune disorders. This is the first time that tyrosine phosphatase inhibitors are being proposed to improve cognitive function in Alzheimer&#39;s disease (AD). STriatal-Enriched Phosphatase (STEP) is a brain-specific protein tyrosine phosphatase that is highly expressed in regions where consolidation of memory occurs and regulates the internalization of NMDARs. Our recent work demonstrates that STEP is elevated in the prefrontal cortex of human AD patients
5580	1	Dose Response selectivity of inhibitors of STriatal-Enriched Phosphatase (STEP) in the dual-specificity protein-tyrosine phosphatase VHR Inhibition Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R03MH095532-01 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Disturbance of the dynamic balance between protein tyrosine phosphorylation and dephosphorylation is crucial for the development of many serious conditions, including cancer, diabetes, and autoimmune disorders. This is the first time that tyrosine phosphatase inhibitors are being proposed to improve cognitive function in Alzheimer&#39;s disease (AD). STriatal-Enriched Phosphatase (STEP) is a brain-specific protein tyrosine phosphatase that is highly expressed in regions where consolidation of memory occurs and regulates the internalization of NMDARs. Our recent work demonstrates that STEP is elevated in the prefrontal cortex of human AD patients
5581	1	SAR analysis of small molecule inhibitors of tim23-1 yeast via a luminescent assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
5582	1	Dose responses of compounds that activate the Choline Transporter (CHT) - 10 point CRC	Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening Center PI: Min Li, Ph.D. Assay Provider: Alicia Ruggiero, Ph.D., Vanderbilt University Medical Center Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03DA028852-01 Grant Proposal PI: Alicia Ruggiero, Ph.D., Vanderbilt University Medical Center Assay Implementation: Zhihong Lin Ph. D., Xiaofang Huang M.S., Shunyou Long M.S., Owen McManus Ph.D., and Meng Wu Ph.D. Description: In the brain, the chemical acetylcholine (ACh) exerts powerful modulatory control over arousal, motor and cognitive circuits, and has been found to be deficient in Alzheimer&#39;s Disease (AD). The current drugs available to positively impact cognitive deficits in Alzheimer&#39;s Disease (AD) and other dementias are the cholinesterase inhibitors.  These prevent the breakdown of the neurotransmitter acetylcholine (ACh), an
5583	1	SAR analysis of small molecule inhibitors of tim23-1: a luminescent  tim10-1 yeast counterscreen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
5584	1	SAR analysis of small molecule inhibitors of tim23-1: a luminescent  TIM10 yeast counterscreen.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 DA027714-01A1 Assay Provider: Dr. Carla Koehler, University of California, Los Angeles, CA (UCLA) Defects in mitochondrial assembly impact a wide range of diseases from degenerative muscle and neural diseases to cancer (Wallace, 2005). The mitochondrion is not only important for the production of energy but plays an important role in other aspects such as intermediary metabolism and signaling. The mitochondrion contains an inner membrane and outer membrane that separate the matrix from the intermembrane space. Proteins destined for the mitochondrion are imported via the Translocase of the Outer Membrane (TOM) and the Translocases of the Inner Membrane (TIM23 for proteins destined for the matrix and TIM22 for proteins destined for the inner me
5585	1	Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA031091-01A1 Assay Provider: Dr. James Stivers, Johns Hopkins University, Baltimore, MD Hypermethylation of CpG dinucleotides in promoter regions of tumor suppressor genes by DNA 5-C-MTases is an important hallmark of human cancers [1-3]. Such reversible epigenetic silencing is a key pathway resulting in loss-of-function phenotypes that promote the growth of many cancers. Examples of genes that have undergone hypermethylation-induced silencing include the genes encoding the cell cycle regulator proteins pIS and p16, the pro-apoptotic effector gene Apaf-1, the mismatch DNA repair gene MLH1, and GSTP1 that codes for the phase 2 enzyme glutathione S-transferase [1, 2, 4-9]. Thus, inhibitors of MTase enzymes have the demonstrated potent
5586	1	SAR analysis of small molecule Inhibitors of Apaf-1 in a Fluorescent assay - set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 inhibitors by high throughput screening. Apaf-1 is the essential mediato
5587	1	SAR analysis of small molecule inhibitors of Apaf-1 using a LZ-Caspase-9/Caspase-3 Fluorescent Selectivity assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 inhibitors by high throughput screening. Apaf-1 is the essential mediato
5588	1	Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Production Centers Network(MLPCN) Grant Number: 1R03MH094195-01 Assay Provider: James Chen, Ph.D.,Stanford University, Stanford California The Hh pathway plays a critical role in the patterning of certain embryonic tissues and contributes to their neoplastic transformation later in life.  Hh signaling regulates cerebellar patterning by promoting the proliferation of neuronal precursor cells, and constitutive Hh target gene expression can lead to medulloblastoma, the most common pediatric brain tumor(1). Hh signaling is normally initiated by the binding of Hh ligands to the twelve-pass transmembrane protein Ptch1(2) inducing its exit from the cilium, leading to Smo accumulation and activation within the antenna-like organelle.  Activated Smo then shifts the balance between repressor and activator forms
5589	1	SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay - set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 activators by high throughput screening. Apaf-1 is the essential mediato
5590	1	SAR analysis of small molecule activators of Apaf-1 using a LZ-Caspase-9/Caspase-3 Fluorescent Selectivity assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: R01 CA136513 Assay Provider: Dr. Xuejun Jiang, Sloan-Kettering Institute for Cancer Research, New York, NY Apoptosis is a major form of programmed cell death that multicellular organisms utilize to maintain tissue homeostasis and to eliminate unwanted or damaged cells. It plays a critical role in development, immune responses and many other physiological events. In mammals, the mitochondrial cytochrome c-mediated apoptotic pathway is initiated by cytochrome c release from mitochondria. Deregulation of the cytochrome c apoptotic pathway can lead to diseases such as cancer, immune disorders, and neurodegenerative diseases.  The overall goal of this project is to identify Apaf-1 activators by high throughput screening. Apaf-1 is the essential mediato
5591	1	Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R21 DA029966-01 Assay Providers: Selena Bartlett, Ph.D., Ernest Gallo Clinic and Research Center, University of California, San Francisco and Nick Cosford, Ph.D., Sanford-Burnham Medical Research Institute There is accumulating scientific evidence showing that stressors enhance addictive behaviors and are a common cause of relapse to substance abuse. Corticotrophin releasing factor (CRF) is a 41-aa peptide that has been shown to induce various behavioral changes related to adaptation to stress. The CRF system, including the CRF-binding protein (CRF-BP) and the CRF receptors, CRF-R1 and CRF-R2, are thought to contribute, to the physiological adaptations that result from stress. It has been shown that CRF interaction with CRF-BP may positi
5592	1	Dose response for HTS for Beta-2AR agonists via FAP method from Powderset2	University of New Mexico Assay Overview:   Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor Internalization  Assay Provider: Jonathan Jarvik, Carnegie Mellon University  Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Yang Wu Chemistry Center/ PI:  Vanderbilt Specialty Chemistry Center/Craig Lindsley                                                             Chemistry Center Lead:  Shaun Stauffer Assay Implementation:  Yang Wu, Phillip Tapia, Terry Foutz, Stephanie Chavez, Dominique Perez, Annette Evangelisti, Anna Waller, Cristian Bologa, Mark Carter Assay Background and Significance:   G protein-coupled receptors represent the largest family of proteins in the human genome with an estimated number of approximately 800.  Because of their central involvement in almost every aspect of human physiology, they also represent the largest target for medical intervention [Lin and Civelli, Annu Med 36 (2004), 204-14].  T
5593	1	Dose response for HTS for Beta-2AR agonists via FAP method from Powderset3	University of New Mexico Assay Overview:   Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor Internalization  Assay Provider: Jonathan Jarvik, Carnegie Mellon University  Screening Center/ PI:  UNMCMD/ Larry Sklar Lead Biologist:  Yang Wu Chemistry Center/ PI:  Vanderbilt Specialty Chemistry Center/Craig Lindsley                                                             Chemistry Center Lead:  Shaun Stauffer Assay Implementation:  Yang Wu, Phillip Tapia, Terry Foutz, Stephanie Chavez, Dominique Perez, Annette Evangelisti, Anna Waller, Cristian Bologa, Mark Carter Assay Background and Significance:   G protein-coupled receptors represent the largest family of proteins in the human genome with an estimated number of approximately 800.  Because of their central involvement in almost every aspect of human physiology, they also represent the largest target for medical intervention [Lin and Civelli, Annu Med 36 (2004), 204-14].  T
5594	1	Dose Response of Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Cherry Pick01	University of New Mexico Assay Overview: Assay Support: NIH 1 R03 MH093193-01A1 High Throughput Screening for inhibitors of the ABC transporter ABCB6 PI: Partha Krishnamurthy, Ph.D. Screening Center PI: Larry Sklar, Ph.D. / UNMCMD Screening Lead: Mohiuddin Khan, Ph.D.  Assay Implementation: Stephanie Chavez, Dominique Perez, Matthew Garcia, J. Jacob Strouse, Ph.D., Mark Carter, M.S.,  Anna Waller, Ph.D. UNM Cheminformatics: Cristian Bologa, Ph.D., Oleg Ursu, Ph.D. Chemistry: University of Kansas Specialized Chemistry Center KU Specialized Chemistry Center PI: Jeff Aube, Ph.D. KU SCC Project Manager: Jennifer E. Golden. Ph.D. Assay Background and Significance: The goal of this project is to implement a high throughput screening (HTS) assay to identify and develop selective chemical probes that regulate ABCB6 expression or function.  The long-term objective is to use these novel pharmacological tools to understand not only the significance of ABCB6 in tumor growth and proliferation a
5595	1	Absorbance-based biochemical high throughput dose response assay for activators of Methionine sulfoxide reductase A (MsrA)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Herbert Weissbach, Florida Atlantic University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1R03DA032473-01 Grant Proposal PI: Herbert Weissbach, Florida Atlantic University External Assay ID: MSRA_ACT_ABS_1536_3XEC50 DRUN Name: Absorbance-based biochemical high throughput dose response assay for activators of Methionine sulfoxide reductase A (MsrA). Description: Oxidative damage, resulting from the production of reactive oxygen species (ROS) within cells, is believed to be a major factor in age-related diseases and the aging process. One of the mechanisms by which this damage occurs is via oxidation of methionine residues to methionine sulfoxide (Met(O)) derivatives in cellular proteins, which can lead to protein inactivation (1). These Met(O) species can be repaired/reduced by
5596	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Mdr1 with Cherry Pick2 compound set	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Dominique Perez, Matthew Garcia, Anna Waller, Annette Evangelisti, Mark Carter, Kristine Gouveia Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression of which is the major cause of resistance in clinical isolates of most Can
5597	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr2 with Cherry Pick2 compound set	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Dominique Perez, Matthew Garcia, Anna Waller, Annette Evangelisti, Mark Carter, Kristine Gouveia Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression of which is the major cause of resistance in clinical isolates of most Can
5598	1	Dose Response HTS singleplex for inhibitors of yeast efflux pump, specifically Cdr1 with Cherry Pick2 compound set	UNMCMD Assay Overview: Assay Support:  1 R03 MH087406-01A1      Project Title:  Identification of broad-spectrum antifungal efflux pump inhibitors    PI:  Richard Cannon  Screening Center PI:  Larry Sklar / UNMCMD  Chemistry Center PI:  Craig Lindsley    Assay Implementation:  J Jacob Strouse, Dominique Perez, Matthew Garcia, Anna Waller, Annette Evangelisti, Mark Carter, Kristine Gouveia Assay Background and Significance: Fungal infections, exemplified by oral and invasive candidiasis, cause considerable morbidity and mortality in the immunocompromised. Treatment of patients with fungal infections is severely hampered by the development of antifungal drug resistance [Cannon, et al 2009]. The goal of this project is to address this health need by discovering novel chemical compounds that reverse antifungal drug resistance by inhibiting the drug efflux pump molecules in the fungal cell membrane, overexpression of which is the major cause of resistance in clinical isolates of most Can
5599	1	SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements. Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).  The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay. In this assay, an A3G protein, a single-strand DNA oligonucleotide with a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed. After incubation at room temperature, A3G deaminates C-to-U and
5600	1	SAR analysis of small molecule inhibitors of APOBEC3A DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay - Set 2	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number:  1 R03 MH089432-01 Assay Provider: Dr. Reuben S Harris, Regents of the University of Minnesota, Minneapolis, MN The human APOBEC3G (A3G) protein is a DNA deaminase that has potent activity against HIV-1 and a variety of other retroelements. Although HIV encodes a natural inhibitor of A3G called Vif, it was hypothesized that the virus still benefits from the mutagenic activity of A3G (immune escape and drug resistance).  The purpose of the screening is to identify A3G inhibitor by using a fluorescence-based single-strand DNA deaminase assay. In this assay, an A3A protein, a single-strand DNA oligonucleotide with a 5&#39;-CCC target site, and Uracil DNA Glycosylase (UDG) are all mixed. After incubation at room temperature, A3G deaminates C-to-U and
5601	1	Dose response orthogonal assay of uHTS small molecule inhibitors of Striatal-Enriched Phosphatase via a colorimetric intensity assay.	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R03MH095532-01 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Disturbance of the dynamic balance between protein tyrosine phosphorylation and dephosphorylation is crucial for the development of many serious conditions, including cancer, diabetes, and autoimmune disorders. This is the first time that tyrosine phosphatase inhibitors are being proposed to improve cognitive function in Alzheimer&#39;s disease (AD). STriatal-Enriched Phosphatase (STEP) is a brain-specific protein tyrosine phosphatase that is highly expressed in regions where consolidation of memory occurs and regulates the internalization of NMDARs. Our recent work demonstrates that STEP is elevated in the prefrontal cortex of human AD patients
5602	1	Dose Response selectivity of inhibitors of STriatal-Enriched Phosphatase (STEP) in the Lymphoid Phosphatase (PTPN22) Inhibition Assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1R03MH095532-01 Assay Provider: Dr. Lutz Tautz, Sanford-Burnham Medical Research Institute, San Diego CA Disturbance of the dynamic balance between protein tyrosine phosphorylation and dephosphorylation is crucial for the development of many serious conditions, including cancer, diabetes, and autoimmune disorders. This is the first time that tyrosine phosphatase inhibitors are being proposed to improve cognitive function in Alzheimer&#39;s disease (AD). STriatal-Enriched Phosphatase (STEP) is a brain-specific protein tyrosine phosphatase that is highly expressed in regions where consolidation of memory occurs and regulates the internalization of NMDARs. Our recent work demonstrates that STEP is elevated in the prefrontal cortex of human AD patients
5603	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, compounds from Powder Set 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5604	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Lethal Factor protease, compounds from Powder Set 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5605	1	High-throughput multiplex microsphere dose response for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, compounds from Powder Set 01	University of New Mexico Assay Overview:   Assay Support: 1 R03 MH093184-01A1 Project Title:  High-throughput multiplex microsphere screening for toxin protease inhibitors Assay Provider:  Steven Graves Ph.D. Screening Center/PI: UNMCMD/ Larry Sklar Ph.D. Lead Biologist:  Bruce Edwards Ph.D.,  Screening Operations Team: Jingshu Zhu, Mark Carter MS, Kristine Gouveia MS, Matthew Garcia Chemistry Center PI:  Craig W. Lindsley Chemistry Lead: Kyle Emmitte Specialized Chemistry Center: Vanderbilt Specialized Chemistry Center For Accelerated Probe Development Proteases regulate many biological pathways that include: coagulation, immune system activation, metastasis, and viral life cycles. Within the larger set of proteases, pharmaceutical development for the proteases of the two-part bacterial toxins of Clostridium botulinum and Bacillus anthracis is of great interest due to their role in natural disease and biothreat scenarios (1-4). Botulinum Neurotoxin A Light Chain (BoNTALC) is also
5606	1	In Vitro Inhibition Assay	The activity of AChE was measured according to method developed by Ellman.  The inhibition potency of organophosphorus compounds is assayed by measuring the decrease in acetylcholinesterase activity.
5607	1	Enzyme Inhibition Assay	Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman.  Lyophilized electric eel AChE (Type III, electric eel, from Sigma Chemical Co) was used.
5608	1	Tyrosinase Assay	Mushroom tyrosinase using either L-DOPA or L-tyrosine as substrate.  In spectrophotometric experiments, enzyme activity was monitored by dopachrome formation at 475 nm with a UV-Vis spectrophotometer (Spectro UV-Vis Double beam; UVD-3500, Labomed, Inc.) at 30 C.
5609	1	Inhibition Assay	Nucleotide hydrolysis was monitored by mixing enzyme and substrate with a rapid kinetic accessory (Hi-Tech Scientific) attached to a spectrophotometer (Cary 50).  Protons, released through the hydrolysis of nucleotides, were neutralized with similar pKa and monitored spectrophotometrically at the absorbance peak of the basic form of the indicator.
5610	1	 Creating an a7 Nicotinic Acetylcholine Recognition Domain from the Acetylcholine-binding Protein	Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml anti-mouse SPA antibody-binding beads (Amersham Biosciences) mixed with 33.6 u of monoclonal anti-FLAG M2 antibody from mouse (Sigma) in 0.1 M NaPO4 buffer, pH 7.0 (SPA mixture). Media (5 ul) collected 2 days after transfection were added to the mixture and finally 10 ul of ()-[3H]epibatidine (PerkinElmer Life Sci- ences) was added at a final concentration of 10 nM. Solutions were each counted for 1 min on either a Beckman LS 6500 liquid scintillation counter or Wallac 1450 Microbeta Trilux. Negative and positive controls consisted of media (5 ul) from the respective transfections. Nonexpressing mutants were transfected and verified de novo in triplicate. Western immu- noblots were also performed upon media (15 ul) from transfec- tions to verify the lack of expression. Competition curves and direct binding were measured fol- lowing the pro
6076	1	Biochemical Assay	The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.
6657	1	Activation Assay	The cDNA for human TRPV1 (hTRPV1) was isolated by reverse transcriptase-polymerase chain reaction (RT-PCR) from human small intestine poly A+ RNA supplied by Clontech (Palo Alto, Calif.) using primers designed surrounding the initiation and termination codons identical to the published sequences (Hayes et al. Pain 2000, 88, 205-215). The resulting cDNA PCR products were subcloned into pCIneo mammalian expression vector (Promega) and fully sequenced using fluorescent dye-terminator reagents (Prism, PerkinElmer Applied Biosystems Division) and a PerkinElmer Applied Biosystems Model 373 DNA sequencer or Model 310 genetic analyzer. Expression plasmids encoding the hTRPV1 cDNA were transfected into HEK293 cells using Lipofectamine. Forty-eight hours after transfection, the neomycin-resistant cells were selected with growth medium containing 800 ug/mL Geneticin (Life Technologies, formerly Gibco BRL). Surviving individual colonies were isolated and screened for TRPV1 activity.
6658	1	Flashplate Assay	1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 M ATP (spiked with 0.3 uCi of 33P-ATP/well) are incubated at 30 C. for 2 hours in a total volume of 50 ul (10 mM MOPS, 10 mM Mg acetate, 0.1 mM EGTA, 1 mM dithiothreitol, 0.02% of Brij35, 0.1% of BSA, 0.1% of BioStab, pH 7.5) with or without test compound. The reaction is stopped using 25 ul of 200 mM EDTA. After 30 min at room temperature, the liquid is removed, and each well is washed three times with 100 l of 0.9% sodium chloride solution. Non-specific reaction is determined in the presence of 3 uM MSC2119074 (BX-795). The radioactivity is measured using a Topcount (PerkinElmer).
6077	5	Biological Assay Example 9	The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).
6084	1	Inhibition Assay	The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modified from the Amersham TRKQ7100 instructions (GE Healthcare, USA).
6677	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were transferred into a 384-well plate. Then 10 uL of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters. Inhibition constants (Ki) are shown in TABLE 2 below and were determined using Wang's equation (Wang Z.-X. An Exact Mathematical Expression For Describing Competitive Binding Of Two Different Ligands To A Protein Molecule.
6678	1	Radioligand Binding Assay	Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 uM unlabelled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive binding experiments.
6685	1	IMAP TR-FRET assay	Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL of serial diluted PDE10A (BPS Bioscience, San Diego, Calif.) or tissue homogenate was incubated with equal volumes of diluted fluorescein labeled cAMP or cGMP for 60 min in 384-well polystyrene assay plates (Corning, Corning, N.Y.) at room temperature. After incubation, the reaction was stopped by adding 60 uL of diluted binding reagents and was incubated for 3 hours to overnight at room temperature. The plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer. The data were analyzed with GraphPad Prism (La Jolla, Calif.).Enzyme Inhibition. To check the inhibition profile, 5 uL of serial diluted compounds were incubated with 5 uL of diluted PDE10 enzyme (BPS Bioscience, San Diego, Calif.) or tissue homogenate in a 384-well polystyrene assay plate (Corning, Corning, N.Y.).
6684	2	Fluorescence Biochemical Assay	The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and &#945;-ketoglutarate (&#945;-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R (&#8722;)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 &#956;L and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 &#956;M NADPH and 100 &#956;M &#945;-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 &#956;M. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM.
6686	2	IMAP-FP (Molecular Devices Trade Mark Technology) Endpoint Assay	A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The same assay was used for IC50 determination of small molecule inhibitors. In general, the kinase reactions were carried out in 20 uL volumes in the reaction solution, which is composed of 2 uL compound (in 20% DMSO), 8 uL CDK1/cyclin B in the 1x Reaction Buffer (Molecular Devices, Cat. No. R8139), 10 uL substrate mixture of Tamra Histone-H1 peptide (Molecular Devices, Cat. No. R7384) and ATP (Amersham Pharmacia, Cat. No. 27-2056-01) in the 1x Reaction Buffer with 1 mM DTT freshly added. The final reaction mixture contains compound (inhibitor) with the concentration varying from 0.005-10 uM, 2% DMSO, 0.25 nM CDK1/cyclin B, 100 nM Tamra Histone-H1 peptide, and 20 uM ATP.All reactions were run at room temperature in black 384-well flat-bottom Costar plates (Corning, Cat. No. 3710) for 120 min then were quenched.
6692	1	Kinase Assay	The effect of test compounds on the activity of the protein kinases GSK-3&#946;, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory concentration (IC50) values determined by Millipore UK Ltd; Gemini Crescent; Dundee Technology Park; Dundee DD2 1SW; UK (IC50Profiler). Detailed protocols can be found at: www.millipore.com/drugdiscovery/dd3/assayprotocols.
6693	1	Inhibition Assay	After the present compound dissolved in DMSO was added to become 0.5% DMSO to the reaction buffer consisting of 20 mM tris hydrochloric acid (pH7.4), bovine serum albumin (0.5%), calcium chloride (4 mM), sodium chloride (150 mM) and human HDL (2 mg/ml), the EL enzyme was added (total volume was 20 ul).After 4-hour reaction at 37 C., non-esterified fatty acid (NEFA) generated from HDL by EL was measured with a commercially available assay kit and the amount of NEFA was used as an index of enzyme activity. Considering the enzyme activity without the inhibitor as a control value, the inhibition rate of each concentration of the present compound was calculated, and 50% inhibitory concentration (IC50 value) was calculated from an inhibition curve.
6694	1	HTRF Assay	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 mL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 uL of 1.11x enzyme and 1.11x substrate in 1x assay buffer (Invitrogen kinase buffer #PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at ambient temperature to allow compound binding to equilibrate. After equilibration, 2 uL of 10xATP in 1x assay buffer was added to initiate the kinase reaction.
6702	1	Spectrophotometric 384 Well Assay	Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction.For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.All compounds are dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM.Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/ml BSA, 3.75 mM reduced L-glutathione, 15 U/ml lactate dehydrogenase, 0.5 mM phosphoenolpyruvate.
6705	1	Enzyme Assay	An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal Biochem, 359: 106-111). The biotinylated oligo dT12 primer was captured on streptavidin-coupled imaging beads (GE, RPNQ0261) by mixing primer and beads in 1x buffer and incubating at room temperature for three hours. Unbound primer was removed after centrifugation. The primer-bound beads were resuspended in 3x reaction mix (20 mM Hepes buffer, pH 7.5, dT primer coupled beads, poly A template, 3H-UTP, and RNAse inhibitor (Promega N2515)). Compounds were serially diluted 1:3 in DMSO and aliquoted into assay plates. Equal volumes (5 uL) of water, 3x reaction mix, and enzyme in 3x assay buffer (60 mM Hepes buffer, pH 7.5, 7.5 mM MgCl2, 7.5 mM KCl, 3 mM DTT, 0.03 mg/mL BSA, 6% glycerol) were added to the diluted compound on the assay plate. Final concentration of components in 384-well assay: 0.36 nM template, 15 nM primer.
6708	1	Enzyme Inhibition Assay	Compounds were dissolved in dimethylsulfoxide (DMSO), and further diluted in 0.1 M sodium acetate buffer (with 150 mM sodium chloride, pH 4.5). The solution with no compound was used as a negative control. Then, 100 L of these solutions (compound concentration: 3 uM), 1 L of recombinant human -secretase (rhBACE-1, R&D), and 5 uL of the fluorescent substrate peptide were mixed in a black 96-well plate (Nunc). After mixtures were incubated in the dark at 37 C. for 2 hr, the fluorescence intensities of the mixtures were measured by fluorescence microplate reader (Wallac) at 540 nm for excitation and at 590 nm for emission. The inhibition ratio was calculated as a percentage of the negative control. The sequence of the peptide was Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Lys-Arg, and labeled with fluorescent donor (Cy3) at Ser-1 and with quencher (Cy5Q) at Lys-9, respectively (Invitrogen).
6092	8	Inhibition Assay	Inhibition of human t-PA was determined by the method described in [0092]-[0098] using recombinant human tissue-type plasminogen activator (Actilyse&#174;) from Boehringer Ingelheim at 290 U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 4 mM, 2 mM, and 1 mM as substrate; results are reported as Ki values (nanomolar).
6094	1	Filter-Binding-Assay	This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinase would be expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
6103	1	Luminometric Kinase Assay	Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, high-throughput screening method for measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction. 
6104	1	Enzyme Inhibition Assay	The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-&#946;-D-glucopyranoside (4-MU-&#946;-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound.
6719	3	Kinase Inhibition Assay	The buffer for PIM-2 assay was composed of HEPES 50 mM, at pH 7.5, with 1 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSAFull-length human PIM-2 was expressed and purified as described in Fedorov O, et al., PNAS 2007 104, 51, 20523-28.Assay Conditions (Final Concentrations)Enzyme concentration=1.5 nMAktide substrate (Chemical Abstract Service Registry Number 324029-01-8)=5 microMATP=4 microM33P- -ATP=1 nM.
6114	1	Inhibition Assay	Inhibitory activity of the compounds using SGLT1 and SGLT2.
6121	3	Enzyme Inhibition Assay	Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R&D Systems, Wiesbaden, Germany (catalog No. 1183-CY).
6729	1	Inhibition Assay	Human recombinant PDE4 (Genbank accession no NM006203) was incubated for 1 hour, with the test compound at concentrations up to 10 &#956;M, with cAMP (1x10-5M) , and with a low amount (0.021 MBq) of radioactively labelled cAMP. At the end of the incubation, the cleavage of the substrate was evaluated by the binding of the AMP product to SPA beads, which generate chemoluminescence when bound to the radioactive tracer. The AMP product inhibited the binding of the radioactive tracer to the beads, and the luminescent signal was competed.
6106	1	Enzyme Assay-Time Dependence	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
7030	3	HTRF Assay	The effect of the compounds of the invention on the activity of the enzyme PDE3 was evaluated by the company CEREP (Le bois I&#39;Ev que, 86600 Celle I&#39;Evescault, France; http://www.cerep.fr) in accordance with its standard protocol (see Bender, A. T., Beavo, J. A. Pharmacol Rev. 2006, 58, 488-520: the enzyme PDE3A in recombinant form is expressed in Sf9 cells, the substrate is cAMP and the residual AMPc is measured by HTRF. The reference inhibitor in the test is milrinone, whose IC50 is 270 nM. The residual activity % are related to the control without inhibitor). The results are expressed either as the concentration which induces inhibition by 50% (IC50) or as a percentage inhibition measured at a set concentration of the compound. 
6824	1	HTRF Assay	The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAKl #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384- well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser.Subsequent reagent additions employed an Agilent Bravo. Next, 18 of 1.1 IX enzyme and 1.1 IX substrate in IX assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 xL of 10X ATP in IX assay buffer was added to initiate the kinase reaction and the plates were shaken.
6881	2	Inhibitory Assay	The method for measuring the in-vitro inhibitory activity of a test compound against Aurora B kinase activity was substantially the same as in the case of Aurora A. A purified recombinant human Aurora B protein was purchased from Carna Biosciences, Inc. The composition of a reaction buffer was 20 mM HEPES (pH 7.4), 2 mM DTT, 0.01% Tween-20, magnesium chloride (final concentration: 1 mM) and ATP (final concentration: 40 &#956;M), and incubation time was set to 60 minutes.
6882	1	Calcium Flux Assay	Experiments were conducted using the FLIPRTETRA . On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR Calcium-4 dye (&#955;EX=470-495 nm, &#955;EM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC. 
6889	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.
6892	1	AlphaScreen Assay	The following example describes an assay that measured the ability of compounds to inhibit the binding of p53 to MDM2 using the AlphaScreen assay technology (PerkinElmer). The following protocol is an adaptation of the method described by H. R. Lawrence et al. (Bioorg. Med. Chem. Lett. 19 (2009) 3756-3759). Recombinant, truncated, human, N-terminal GST-MDM2 (aa 1-150) was obtained from GeneScript. Wild-type, full length human N-terminal 6-his p53 was purchased from SignalChem.Resulting in a final reaction volume of 24 &#956;l PBS, 0.1% Tween-20, and 10% glycerol, 30 ng of MDM2 was added, followed by the addition of 10 of compound diluted in 100% DMSO that provided a final DMSO concentration of 4%. 30 ng of p53 was then added, mixed, and incubated at room temperature for 1 hour. Glutathione donor beads and Nickel acceptor beads (0.5 &#956;g each; PerkinElmer) were added under subdued lighting conditions to a final reaction volume of 30 &#956;l/well in a 96 well, volume Proxima plate.
6893	1	Inhibition Assay	The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay buffer containing (v/v) 3% DMSO) or, in the control experiments, with the vehicle in a multiple assay plate. After incubation for 15 min at room temperature, as substrate then bradykinin carrying an N-terminal Bodipy FL (4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-propionyl) label (JPT Peptide Technologies GmbH; dissolved in assay buffer) was added to the mixture. The final concentration of cathepsin A was 833 ng/ml and the final concentration of labeled bradykinin 2 &#956;M. After incubation for 15 min at room temperature the reaction was stopped by the addition of stop buffer (130 mM 2-(4-(2-hydroxy-ethyl)-piperazin-1-yl)-ethanesulfonic acid, pH 7.4, containing (v/v) 0.013% Triton X-100, 0.13% Coating Reagent 3 (Caliper Life Sciences), 6.5% DMSO and 20 &#956;M ebelactone B (Sigma, #E0886)).
50029775	1	ChEMBL_923891 (CHEMBL3082926)	Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry
6902	2	HTRF FRET Assay	Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1xBACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO were pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1xBACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30 C. The assay was initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 M for 4 M for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30 C.
6916	1	Inhibition Assay	Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently, TASK- 1 -encoding RNA synthesized in vitro was injected into oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 interface (Instrutech Corp., Long Island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to -90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing: NaCI 96 mM, KCI2 mM, CaCI21.8 mM, MgCI21 mM, HEPES 5 mM (pH adjusted to 7.4 with NaOH). 
6917	3	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1.0 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 1.0 ul/well of 10 mM desipramine dissolved in DMSO. 50 ul/well of a 2x membrane preparation (0.4 mg/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 50 ul/well of a 2x radioligand solution (4 nM [3H]nisoxetine in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6911	2	Binding Assay	DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplified from clone MGC-45084 (American Type Culture Collection), using PCR primers containing BamHI and EcoRI recognition sites (5'-GGATCCATGGAGAGCGGGAAGAGGATGGA-3' (SEQ ID NO:1) and 5'-GAATTCCATCTTTCCAGTTCTGAAGT-3' (SEQ ID NO:2)), and then introduced into pFBC6H, a modified pFastBac-1 baculovirus expression vector (Invitrogen), that had been linearized via cutting with EcoRI and XbaI. This pFB6H-MBD2 expression construct was used to transform DH10BacE. coli competent cells (Invitrogen) to form an MBD2 expression bacmid via site-specific transposition. The MBD2 expression bacmid was then transfected into Sf9 insect cells for production of recombinant MBD2 baculovirus particles, which were used to infect Sf9 cells (1 MOI, 48 hours) to generate recombinant MBD2 protein.
6913	1	Inhibition Assay	The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5'-triphosphate (ATP) was monitored using the Transcreener ADP (adenosine-5'-diphosphate) assay (BellBrook Labs). Purified NIK (0.2-1 nM) derived from a baculovirus-infected insect cell expression system was incubated with test compounds for 1-3.5 hours in 50 mM 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid buffer (pH 7.2) containing 10 mM MgCl.sub.2, 2 mM dithiothreitol, 10 uM ATP, 0.01% Triton X-100, 0.1% gamma-globulins from bovine blood, 1% dimethylsulfoxide (DMSO), 12 ug/mL ADP antibody and 4 nM ADP-AlexaFluor.RTM. 633 tracer. Reactions were quenched by the addition of 20 mM 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid and 0.01% Brij 35. The tracer bound to the antibody was displaced by the ADP generated during the NIK reaction, which causes a decrease in fluorescence polarization that was measured by laser excitation.
6928	1	FLIPR Assay	Ca2+ Flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 ul volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250x the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 uL of the compound into 300 uL of assay buffer. A further 3x dilution occurred when transferring 50 uL/well of the compound plate to 100 uL/well in the cell plate.
6931	2	Radiometric Assay	ALKl (Invitrogen, Carlsbad, CA, USA) kinase activity was measured at ProQinase GmbH ( Freiburg. Germany) in a radiometric assay using gamma-33P-ATP and casein (Sigma, St. Louis, MO, USA) as substrate in 96-weli PerkinElmer FlashPlates (Boston, MA, USA). The compounds were tested at 10 concentrations in the range of 1 x 10"4 M to 3 x 10"9 M in a total volume of 50 ul with a finalDMSO concentration of 1 % each. The assay components were mixed in the order: 20 ul assay buffer (70 mM HEPES-NaOH, pi I 7.5. 3 mM MgCl2, 3 mM MnCl2, 2uM sodium orthovanadate, 1.2 mM DTT); - 5ul gamma-33P-ATP (1.0ug/50ug in water, approx. 6 x10E+5 cpm per well); 5 ul test compound solution (in 10% DMSO);10 ul substrate (200 ug/ml, 1.0ug/50ml final concentration) / enzyme (4 ug/ml, 20 ng/50ul = 5.5 nM final concentration) solution (1 : 1 mixture).
6934	1	Inhibition Assay	A fusion protein comprising glutathione S transferase (GST) and human IRE-1alpha (GST-IRE-1alpha) obtained from a 500 ml baculovirus-infected insect cell culture can be used to measure IRE-1alpha activity in vitro. Five ul of a reaction mixture comprising IX reaction buffer (5x reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water is added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution are added to test wells. Three ul of a 128 ng/ml IRE-1alpha preparation are added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contain only reaction mixture and test compound.After spinning the plates at 1200 rpm for 30 seconds, 3 ul of an IRE-1alpha human mini-XBP-1 mRNA stem-loop substrate 5'-CAGUCCGCAGCACUG-3' (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5' end and Black Hole Quencher 2.
6959	1	Fluorescence Polarisation Assay	The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 corresponds to the UniProtKB primary accession number: P10415), at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.00×10&#8722;8 M in a buffer solution (Hepes 10 mM, NaCl 150 mM, Tween20 0.05%, pH 7.4), in the presence or absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.
5612	1	Inhibition Assay	In vitro inhibition assay using jack bean urease.
6957	3	Inhibition Assay	Purified recombinant human FGFR4 protein was purchased from Carna Biosciences, Inc.  When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR4 kinase activity, a biotinylated peptide (biotin-EEPLYWSFPAKKK) was synthesized for use as a substrate by utilizing the amino acid sequence of FL-Peptide 22 (Caliper Life Sciences, Inc.) with biotin. The purified recombinant human FGFR4 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration 20 times higher than the final concentration. Next, the purified human FGFR4 protein, substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 190 .mu.M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer.
6963	2	PatchExpress (PX) Assay	293 cells stably transfected with human Navl .7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, CA). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to -10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition.
5613	1	BACE-1 Inhibiiton Assay	Beta-Secretase inhibition evaluations were carried out using a fluorescence resonance energy transfer (FRET) assay kit supplied by PanVera (kit P2985).
5614	1	In Vitro 5-LOX Assay	5-LOX enzyme assay was carried out with some modifications of ferric oxidation of xylenol orange (FOX) assay, which is based on the complex formation of Fe3+/ xylenol orange with absorption at visible light.
5615	1	Binding Assay	Pkk1 PDB fluorescence polarization competition binding assay using Plk. 
5616	1	Enzyme Inhibition Assay	The compounds that exhibited potent anti-inflammatory profiles were futher tested for their ability to inhibit human COX-1 and COX-2 enzymes in-vitro.
5617	1	Enzyme Inhibition Assay	Enzyme inhibition assay using tryptophanase.
5618	1	Inhibition Assay	Inhibition assay using urease from jack bean.
5619	1	Cell Assay	The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-trans retinoic acid as the substrate and liarozole and R115866 as standards for comparison.
5620	1	Synthesizing Selective Agonists for the ?7 Nicotinic Receptor with in situ Click-Chemistry on Acetylcholine Binding Protein Templates.	Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 l of 0.2 mg/ml anti-mouse SPA antibody-binding beads (Amersham Biosciences) mixed with 33.6 g of monoclonal anti-FLAG M2 antibody from mouse (Sigma) in 0.1 M NaPO4 buffer, pH 7.0 (SPA mixture). Media (5l) collected 2 days after transfection were added to the mixture and finally 10 l of (+)-[3H]epibatidine (PerkinElmer Life Sciences) was added at a final concentration of 10 nM. Solutions were each counted for 1 min on either a Beckman LS 6500 liquid scintillation counter or Wallac 1450 Microbeta Trilux. Negative and positive controls consisted of media (5 l) from the respective transfections. Nonexpressing mutants were transfected and verified de novo in triplicate. Western immunoblots were also performed upon media (15 l) from transfections to verify the lack of expression. Competition curves and direct binding were measured following the protocol p
5621	1	Inhibition Assay	Inhibition assay using carbonic anhydrases.
5622	1	Cholinesterase Inhibition Assay	AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.
5623	1	Inhibition Assay	In-vitro and vivo using AChE and BuChE enzyme.
5624	1	OctetRed	OctetRed
5624	3	ITC	ITC
5624	2	Thermofluor	Thermofluor
5625	1	OctetRed	OctetRed
5625	2	ITC	ITC
5626	2	ChemBL affinity - Published Abbott papers	ChemBL affinity - Published Abbott papers
5626	1	Abbott Kinase Enzymatics_CHK1/289 CDC25c	Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)
5627	1	Assay 1	Assay 1 ...
5628	1	Thermofluor	Thermofluor
5628	2	ITC	ITC
5628	3	OctetRed	OctetRed
5629	1	Abbott uPA__Urokinase Human - Ki(uM)	Abbott uPA__Urokinase Human - Ki(uM)
5630	1	5Alpha-Reductase Activity Assay	The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.
5631	1	Paraoxonase Activity Assay	The enzyme assay was based on the estimation of p-nitrophenol at 412nm.  The molar extinction coefficient of p-nitrophenol was used to calculate enzyme activity.
5632	2	Inhibition Assay 	Cathepsin enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product 7-amino-4-methylcoumarin at 37 C in a stirred cuvette.  The wavelengths for excitation and emission were 360nm and 440nm.
5632	1	Inhibition Assay 	Papain enzyme activities were determined by spectrophotometric detection of the product p-nitroaniline at 25 C in a a multicell holder (parallel measurements for each single inhibitor determination) at a wavelength of 405 nm.
5633	1	Enzymatic Assay	Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.
5634	1	Inhibition Assay	Inhibition of a protein-protein activity by EMSA assay.
5635	1	Inhibition Assay	Inhibition of UmGSK3 by kinase inhibitors.
5636	1	Inhbition Assay	PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xanthosine-5&#39;-monophosphate and inorganic pyrophosphate (PPi) at 247nm or the conversion of guanine and PRPP to guanosine-5&#39;-monophosphate and PPi on a Varian Cary 100 spectrophotometer.
5637	1	Fluorescence Polarization (FP) Assay	The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization.  MKK6 was used as a substrate because it could produce large quantities of the full-length protein, sufficient for HTS.  MKK6 inhibitors do not bind in the active site but in a separate exosite.
5638	1	Enzymatic Assay	Enzymatic inhibition using cruzain.
5639	1	Enzymatic Activity Assay	To test whether GCTs share a common binding pocket on PPA with acarbose, we performed an experiment according to the method of Yonetani and Theorell.
5640	1	Enzyme Inhibition Assay	Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).
5641	1	Radioligand Competition Assay	Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine.  Binding affinities for alpha 7 nAChR were determined in tissue preparation of rat cortical membranes using 1 nM [3H]alpha-bungarotoxin.  Binding affinities for AChBP were determined by displacement of [3H]epibatidine to Ls-AChBP.
5642	1	Enzyme Inhibition Assay	In vitro enzyme inhibition using biotin protein ligase.
5643	1	Fluorescent Reporter Assay	In vitro inhibition of the Mtu RecA Intein by Cisplatin-Splicing activity of the RecA intein was dertermined in the presence and absence of potential platinum (II) inhibitors using a fluorescent reporter assay.
5644	1	Fluorescence Assay	Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.
5645	1	Proliferation Assay	Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.
5646	1	Binding Assay	Kinetic analysis of NS3 inhibitor binding experiment were performed using the KinTek stopped flow instrument (SF-2005; excitation, 325 nm; and emission, 410 nm) with a programmable shutter to minimized photobleaching.
5647	1	Tautomerase Activity Assay	The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence or absence of increasing concentrations of all six limonoids extracted from neem.
5648	1	FMP Assay (Cell Assay)	The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed in the FMP assay.
5649	1	Enzyme Assay	Enzyme assay using human matrix metalloproteases or ADAMTS.
5650	1	Inhibitor Assay	The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrate L-glutaminyl 2-naphthylamide (Gln-BNA).
5651	1	Enzyme Assay	The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare.  
5652	1	Kinase Assay	The AMPK peptide including the sequence surrounding the phosphorylation site of AMPK (167GEFLRTSCGSP177), was synthesized at the Support Unit for Bio-material Analysis in the RIKEN Brain Science Institute (BSI) Research Resources Center (RRC).  ATP consumption was determined by suing a Kinase-Glo Max luminescent kinase assay (Promega) kit, which quantifies the amount of ATP in the reaction solution.
5653	1	SPA Assay	A radioligand-binding assay was developed using scintillation proximity assay (SPA) technology. The wheat germ agglutinin SPA beads (Amersham) (0.2 mg/mL) coated with Jurkat cell membranes were incubated with [125I]-labeled ligand in the absence or presence of increasing concentrations of test compound. The assay reagents were incubated for 18 h at room temperature and radioactivity bound to the membrane-coated beads was determined using a Topcount scintillation counter (Perkin Elmer).
5653	2	TACE Inhibition Assay	Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally quenched peptide substrate. The reaction was started by the addition of the substrate. The fluorescent intensity (excitation at 320 nm, emission at 405 nm) was measured every 45 s for 30 min using a fluorospectrometer (GEMINI XS, Molecular Devices). Values of Ki were calculated by the PRISM program based on one-site competitive inhibition mode. Each Ki value was an average of three determinations, and the standard errors for all Ki determinations were less than 10%.
5654	1	Inhibition Assay	The inhibition of TreS by a range of known alpha-glucosidase inhibitor was assayed.
5655	1	Competitive Inhibition Assay	Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.
5656	1	Activity Assay	The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. 
5657	1	Radiochemical Assay	A radiochemical assay was used to measure enzymatic activity.
5657	2	Calorimetric (ITC) Assay	For standard ITC analysis of ligand binding, proteins were dialyzed overnight in 25 mm Hepes (pH 7.5), 100 mm NaCl, 5 mm -mercaptoethanol, and 5% glycerol at 4 &deg;C. Ligands (i.e. AdoMet, AdoCys, pEA, and pCho) were prepared in the same buffer. AdoMet and AdoCys concentrations were determined spectrophotometrically (A260 nm; = 15,400 m 1 cm 1) (19). ITC experiments were performed using a VP-ITC calorimeter (Microcal, Inc.). Injections (10 ul) of ligand were added to a sample solution containing protein using a computer-controlled 250-ul microsyringe at intervals of 5 6 min.
5658	1	Inhibition Assay	Inhibition assay using GlmU bifuncation enzyme with various bacterial strains.
5659	1	Ubiquitin Thioester Inhibtion Assay	Inhibition assay using ubiquitin.
5660	1	Inhibitor Screening Assay	The inhibitor screening assays were performed in 96-well format with 1152 small molecules found in the Prestwick chemical library (Prestwick Chemical, France).
5661	1	Enzymatic Assay	Enzyme activity assay using human and murine PAI-1.
5662	1	Inhibition Assay	Inhibition of IC50 using matrix metalloproteinase.
5663	2	TR-Fret Assay	1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.
5663	1	TR-Fret Assay	384-Well TR-Fret assay using AKT-tide peptide substrate.
5664	1	Isothermal Titration Calorimetry	Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).
5665	1	Binding Assay	Binding assay using CYP2E1.
5666	1	Enzymatic Assay	Inhibitory assay against ECE-2.
5667	1	Enzyme Assay	Enzyme assay using matrix metalloproteinases.
5668	1	Binding Assay	Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Varian, UK) using a 1-cm path length quartz cuvette, recording spectra between 250 and 800 nm.
5669	1	Tautomerase Enzyme Assay	The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the enol form that is colorless.
5670	1	Enzyme Inhibition Assay	Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a C-18 column.
5671	1	Fluorescence Assay	Homogeneous time-resolved fluorescence assay is an enzyme inhibition studies that were performed in 384-well polystyrene homogeneous time-resolved fluorescence plates (grainier). 
5672	1	Phosphatase Activity Assay	Protein phosphatases were purchased from Upstate Biotechnology (Lake Placid, NY).
5673	1	Inhibition Assay	Rcl inhibition by nucleotides.
5674	1	Inhibition Assay	Inhibition assay using AChE and BuChE.
5675	1	Aromatase Assay	Inhibition assay using aromatase enzyme.
5676	1	Inhibition Assay	The inhibitory against activated CDK2-cyclin A2 complex was determined by using the ADP Quest fluorescence assay from (DiscoveRX, Fremont, CA)
5677	1	Radiometric Assay	In vitro kinase assay using human aurora kinase in a standard radiometric assay.
5678	1	Binding Assay	Binding assay using CYP130, CYP130 (G234) or CYP142.
5679	1	Kinase Assay	Kinase assay using PI3K.
5680	1	Enzyme Assay	Hit compounds identified from the high throughput screen were also tested using orthogonal assay platform, namely the coupled assay described previously, which is a continuous spectrophotometric assay at 340 nm. 
5681	1	Binding Assay	[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.
5682	1	Inhibition Assay	Inhibition assay using NAD synthetase.
5683	1	Tryptophan Fluorescence Assay	Binding of chalcone 4 and chlcone 1 to CSCL12 was examined by monitoring changes in the emission intensity of intrinsic Trp fluorescence of the chemokine.
5684	1	IMAP-Based HTS FP Assay/ TR-FRET Assay	An IMAP-based PKD HTS FR assay was used for primary HTS of the PMLSC library to identify hit compounds and subsequent secondary hit confirmation studies.  
5684	2	In Vitro Radiometric PKD  Assay	The radiometric kinase assay using PKD kinase.
5685	1	Continuous Assay	Assay was determined using a continuous assay.
5686	1	Enzyme Assay	Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions described by Hidaka.  Casein kinases I and II activities were meas8ured as described by Chijiwa.  Ca/ calmodulin kinase II activity was measure d by the method described by McGuinness.
5687	1	Enzyme Assay	The phospholipase A2 activity of LCAT was assayed using lecithin and apoA-I containing [9,10-3H] dipalmitoylphosphatidylcholine (DPPC) and measurement of the radioactive fatty acid released from the sn-2-position.
5688	1	Fluorescence Resonance Energy Transfer (FRET) Assay	BACE1 inhibitory evaluation was carried out using a Fluorescence Resonance Energy Transfer (FRET) assay kit supplied by PanVera (kit P2985, Madison, WI, USA).
5689	1	Syk Enzyme Assay	A Lance TR-FRET assay (Perkin Elmer) was used to measure and compare the potency of compounds against Syk kinase domain.
5690	1	FRET-Based Assay	The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived from the NS4A/B cleavage site and labeled at one end with a quencher (QXL520) and at the other with a fluorophore (5-FAMsp; Anaspec).
5691	1	Kinase Assay	Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.
5692	1	Enzyme Assay	Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay.
5693	1	Inhibition Assay	Inhibition studies using recombinant human MAO-A and MAO-B that were obtained from commercial sources (Sigma-Aldrich).
5694	1	Spectral Binding Assay	All UV/Vis spectra of the enzyme-ligand complexes were obtained on a Cary 5000 UV/Vis spectrophotometer.
5695	1	Enzyme Assay	Casein kinase activities were determined under the conditions as described by Huang et al (1982).
5696	1	Phospholipase A2 Vesicle Assay	Inhibition assay using phospholipase A2.
5697	1	Inhibition Assay	The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.
5698	1	Binding Assay	Binding assay of L-trptophan and analogues to trp aporepressor
5699	1	Filter-based DNA Synthesis Inhibition Assay	Inhibition assay using HIV-1 reverse transcriptase.
5700	1	Binding Assay	The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.  
5701	1	Inhibition Assay	Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.
5702	1	Enzymatic Protein Activity Assay	The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiFMU octanoate (DiFMUO) in a Tecan Infinite M200 microplate reader in a 96-well format.
5703	1	Inhibition Assay	Inhibition constant using AChE or BuChE.
5704	1	Molecular Beacon Assay	A fluorescenc-based molecular beacon assay to measure APE-1 protein activity and inhibition was performed as described.
5704	2	Gel-Based Assay	In addition to the real-time fluorescence assay for studying inhibition of APE-1 activity, we also employed a gel-based assay to visualize and quantify repair activity of APE-1 and its inhibition.
6968	2	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant kippa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 uM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hr at a temperature of about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 1-2 hours. Fifty ul/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added.
5705	1	Fluorescence-Based Thermal Shift Assay	The thermal stability of MbtI in the absence and presence of inhibitors was measured using a fluorescence-based thermal shift assay.
5706	1	Spectroscopic Assay	Formation of the hydroxylated product and depletion of NADPH were measured following ethyl acetate extraction of the reaction mixture.
5707	1	Phosphorylation Assay	Phosphorylation assay using casein kinase 2.
5708	1	Inhibition Assay	The rate of the enzymatic reaction was determined by measuring product formation by a spectrophotometric assay developed by Xun and co-worker with modification.  The assay was performed on a Cary 50 Bio or Cary 5000 UV-visible spectrophotometer (Varian).
5709	1	Inhibition Assay	the enzyme activity of recombinant human FAAH was measured according to published procedures with minor modifications by either a fluorescent assay using D-AMC or a radioactive assay using tritium-labeled anandamide (3H-anandamide)51 as substrate.
5710	1	Binding Assay	Binding assay using PDF inhibitors.
5711	1	Cell Assay	Cell assay using human leukemia cell line K562.
5712	1	CYP24A1Inhibition Assay	Inhibition assay using CYP24A1 and CYP27B1.
5712	2	CYP27B1 Inhibition Assay	Inhibition assay using CYP24A1 and CYP27B1.
5713	1	Inhibition Assay	Inhibition of CODH by Diphenyliodomium chloride.  Inactivation of the FAD cofactor of CODH was accomplished by covalent modification of the flavin with diphenyliodonium chloride using a modification of the procedure of Chakraborty and Massey.
5714	1	Enzyme Inhibition Assay	Inhibition assay using cytochrome P450.
5715	1	Fluorescence Polarization Binding Assay	IC50 values of aminodarone analogues using JARID1A PHD3.
6969	1	Enzyme Activity Assay	Activity of GBA was measured at 37° C. with 4-methylumbelliferyl &#946;-D-glucopyranoside as substrate as reported previously. To determine the IC50 value, the inhibitors were preincubated for 30 min with the enzyme before addition of the substrate mixture. The incubation mixture contained 3 mM fluorogenic substrate, 0.2% (w/v) sodium taurocholate and 0.1% (v/v) Triton X-100 in 150 mM McIlvaine buffer, pH 5.2. After stopping the incubation with excess NaOH-glycine (pH 10.3), we measured fluorescence with a fluorimeter LS 30 (Perkin Elmer) using &#955;ex 366 nm and &#955;em 445 nm. Activity of lactase was quantified by measuring liberated glucose from lactase38. In vivo activity of GBA in cells was measured using FDG as substrate and FACS32.
6980	1	Receptor Binding Assay	Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-1640 (RPMI: Roswell Park Memorial Institute Medium-cell culture growth media) supplemented with 10% fetal bovine serum in a humidified 5% CO2 atmosphere at 37° C. The cell density was maintained between 0.5×106 cells/mL.
6999	2	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
7003	3	Modulation of Endogenous Assay	The human leukemia Jurkat T-cell line was maintained in RPMI 1640 (Cambrex) supplemented with 10% fetal calf serum and 50 ng/ml Geutamycin. Before treatment cells were washed, resuspended at a density of about 106 cells/milliliter in medium containing 1% fetal calf serum and incubated in the presence of indicated mounts of drug for two hours. Cells were recovered by centrifugation, lysed using a hypotonic buffer (20 mM Tris/HCl pH 7.4; 2 mM EDTA; 5 mM EGTA; 10 mM mercaptoethanol; 10 mM NaF; 1 uM Okadaic acid; 10% v/v glycerol; 0.05% NP-40; 1% Protease Inhibitor Cocktail) and protein from the cleared lysate was diluted to 1 microgram per microliter in Assay Dilution Buffer (ADB; 20 mM MOPS, pH 7.2, 25 mM &#946;-glycerolphosphate, 5 mM EGTA, 1 mM sodium orthovanadate and 1 mM dithiothreitol). To 20 microliters of diluted protein was added 10 microliters of substrate peptide (RRRDDDSDDD, dissolved in ADB at a concentration of 1 mM) and 10 microliters of PKA Inhibitor cocktail (Upstate). 
7004	1	Inhibition Assay	Assay compound plates were prepared by diluting the compounds of formula (I) with chloride-free buffer (125 mM Na-gluconate, 4.8 mM K-gluconate, 1.3 mM Ca-gluconate, 1.2 mM KH2PO4, 1.2 mM MgSO4, 5.6 mM D-glucose, 25 mM HEPES, pH 7.4 with NaOH) in 100% DMSO to a final concentration of 1% DMSO. [14C]-Uric Uric acid working stock was made by addition of radiolabeled compound to a final concentration of 120 nM in chloride-free buffer. In all wells, the final assay concentration of solvent (DMSO) was 0.25%; the final assay concentration of [14C]-uric acid was 30 nM in chloride-free buffer and the final compound of formula (I) concentrations ranged from 0 to 10 uM. The vehicle comparator was DMSO (i.e. no inhibition of uric acid transport) and the pharmacological blockade (i.e. 100% inhibition of uric acid transport) was defined by benzbromarone at 10 uM final assay concentration.After pre-incubation, cells were washed with 50 uL of chloride-free buffer.
5716	1	In Vitro Enzyme Assay	In vitro enzyme activity assay using Aurora Kinase A.  
5718	1	Inhibitory Assay	Inhibition assay using nitric oxide synthases.
5719	1	GDH-Coupled Nicotinamidase Assay	Nicotinamidase activity was monitored by coupling the production of ammonia with the consumption of NAD(P)H by the enzyme bovine glutamate dehydrogenase from Sigma.
5720	1	Enzyme Assay	Enzyme activity measurement by a coupled assay.  initial velocities for the reaction of MtPncA were determined by monitoring the loss of absorbance at 340 nm associated with oxidation of NADH to NAD by L-glutamic dehydrogenase (GDH) to produce glutamate from alpha-ketoglutarate.
5721	1	Radiometric Filtration Assay	The mTOR activity was determined by measuring the amount of [gamma-33 P] phosphae from ATP incorporated in the substrate protein.
5721	2	TR-FRET Assay	The LanthaScreen TR-FRET mTOR assay was performed using Costar low-binding 284-well plates at room temperature according to the instructions of the manufacturer from Invitrogen.
5722	1	Binding Assay	Binding assay using temperature-dependent circular dichroism (TdCD).  In TdCD, the loss of protein secondary structure was monitored as a function of temperature.  Proteins bound with ligand become more resistant to thermal unfolding compared to the unliganded protein because of the additional stabilization interactions created between the ligand and protein.
5723	1	Aurora Kinase Assay	The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.
5724	1	Interaction Assay	Interaction assay using AChBP.
5725	1	LSD1 Inhibition Assay	The kinetic inhibition parameters of LSD1 demethylase inhibition were obtained using the peroxidase-coupled reaction method.
5726	1	Enzymatic Assay	Enzymatic assay using Lpd.
5727	1	Competitive Inhibition Assay	Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS3 and NS4 for 15 min. prior to addition of substrate.
5728	1	Inhibition Assay	Inhibition assay using DDAH-1 and nNOS.
5729	1	CHK1 Inhibition Assay	The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, substrate and inhibitor using Caliper LC-3000 instrument (Caliper Life Science). 
5729	2	Surface Plasmon Resonance BindingAssay	Surface plasmon resonance (SPR) biosensor binding studies were conducted using a  Biacore 3000 instrument (GE Healtchare).
5730	1	PARN Activity Assay	The enzymatic activity was determined by the methylene blue assay.
5731	1	PPIase Assay	PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-vis spectrophotometer in 35 mM HEPES buffer (pH 7.8).
5732	1	Inhibtion Assay	Inhibition assay using human PNP.
5733	1	LpxC Assay	Inhibition assay using E. coli LpxC.
5734	1	Inhibition Assay	Inhibition assay using carbonic anhydrases.
5735	1	Inhibition Assay	Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).
5736	1	Titration Assay	the kd for ThOH, ThMP and ThDP were determined using titration experiments in which the change in the intrinsic protein fluorescence was monitored as a function of ligand concentration.
5737	1	Inhibition Assay	Competitive inhibition assay using human and rat MAOs.
5738	1	Inhibition Assay	Competitive inhibition constant determined for PA4872 catalyzed oxaloacetate decarboxylation.
5739	1	Mixed Micelle Assay	The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.
5740	1	Inhibiton Assay	Inhibition assay using MAO-A and MAO-B.
5741	1	Transferase Assay	FPTase activity was assayed in the biosynthetically forward direction at 30C.
5741	2	CVLS Assay	Assay using farnesyl-ras-CVLS as the protein acceptor substrate.
5742	1	Inhibition Assay	Analogues of L-aspartic acid and beta-aspartyl phosphate were examined as inhibitors in the aspartokinase I reaction by using the coupled reaction with ASA-DH.
5743	1	Competitive Inhibition Assay	PNPase activity (guanosine to guanine and ribose 1-phosphate) was followed by measuring the decrease in absorbance at 268nm.
5744	1	Enzyme Assay	The rate of carbamoyl phosphate synthesis was determined by use of a coupled enzyme assay with ornithine transcarbamoylase.
5745	1	Kinetic Assay	Kinetic assay using chymotrypsin.
5746	1	Competition Binding Assay	Competitive binding assay using cannabinoid receptors.
5747	1	Enzyme Assay	Mycobacterium tuberculosis gyrase supercoiling, relaxation, and decatenation assays were carried out as described previously.
5748	1	Thermal Denaturation Assay	The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with optically clear lids.
5749	1	Binding Fluorescence Titrations	Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm excitation and 557-nm emission.
5750	1	VDR Binding Assay	In vitro study, VDR binding assay were performed as previously described.
7007	1	FLIPR Assay	The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensitive fluorescent dye. The changes in fluorescent signal were monitored by a fluorescence plate reader, either a FLIPR (Molecular Devices) or FDSS (Hamamatsu). Increases in intracellular Ca2+ concentration were readily detected upon activation with icilin.At 24 hrs prior to assay, HEK293 cells stably expressing canine TRPM8 were seeded in culture medium in black wall, clear-base poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) and grown overnight in 5% CO2 at 37° C. On assay day, growth media was removed and cells were loaded with Calcium 3 Dye (Molecular Devices) for 35 min at 37° C., under 5% CO2 and then for 25 min at room temperature and atmosphere. 
5751	1	Fluoresence-based Assay	The initial screen was performed in a 96-well plate using the fluoresence-based assay previously described.  An enzyme-coupled absorbance-based assay developed in house was used to determine the inhibitor-enzyme kinetic parameters of Mtb-AnPRT, including ki values for the inhibitors.
5752	1	Inhibition Assay	Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).
5753	1	Enzymatic Assay	All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.
5754	1	Binding Assay	Radioligand receptor binding studies were conducted in the rat brain.
5755	1	In Vitro COX Inhibition Assay	The ability of the test compounds to inhibit ovine COX-1 and COX-2 was determined using chemiluminescent enzyme assays kit according to our previously reported method.
5756	1	Enzyme Assay	All assays have been carried out using procedures previously described by our group (Srivastava et al., 2005a; 2005b; 2007)
5757	1	In Vitro Assay	The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determining the residual enzyme activity according to the Goldstein method.
5758	1	HIV-1 Reverse Transcriptase Assay	Biological assay using HIV-1 reverse transcriptase.
5759	1	In Vitro Inhibition Assay	In vitro antimalarial assay, antimalarial activity of the compounds was determined in vitro on chloroquine sensitive and resistant strains of plasmodium flaciparum as described earlier. 
5760	1	CYP Inhibition Assay	The test compounds were evaluated for their ability to inhibit the catlytic activity of human CYP1 enzymes by means of high throughput fluorometric detection assay conducted in 96-well microtitre plates.
5761	1	Phosphodiesterase Inhibition Assay	PDE activity was measured using a modification of the IMAP fluorescence polarization phosphodiesterase assay from Molecular Devices.  The assay was modified to use tetramethylrhodamine (TAMRA-) cGMP as substrate.  PDE hydrolysis of the fluorescent labeled substrate allows it to bind the IMAP binding reagent, which results in increased FP.
5762	1	Inhibition Assay	Inhibition assay using kinase inhibitors.
5763	1	Binding Assay	Binding assay using sigma receptors.
5764	1	Radioligand Binding Assay	The h5-HT6 radioligand binding assays were performed as previously described.  In brief, h5-HT6 cDNA was transiently expressed in HEK-293 cells using Fugene6 according to the manufacturer&#39;s recommendations.
5765	1	Inhibition Assay	Inhibitors were assayed against human liver Cathepsin L and B.  Inhibitors were also evaluated for inhibition against purified recombinant Cathepsin K.
5766	1	Fluorescence Polarization Assay	Compounds were tested for binding to Src SH2 using a fluorescence polarization binding assay according to methods previously described.  IC50 values were assigned to individual compounds according to their competitive binding affinity versus a high-affinity peptide probe, fluorescein-pTyr-pTyr-pTyr-Ile-Glu-NH2.
5767	1	Fluorometric High-Throughput Assay	A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates.  The assay were performed in Dynatech Microfluor fluorescence microtiter plates (opaque white plates), and readings were taken on a Molecular Devices Spectra Max Gemini XS instrument.
5768	1	Enzyme Inhibition	Enzyme inhibition using dehydroquinate synthase.
5769	1	Fluorescence Assay	Fluorescence assay used for determination of catch and release efficiency.  
5770	1	Capsid Assembly Assay	In vitro capsid assembly assay (CAA) was used in a HTS to identify potential inhibitors of capsid assembly.  
5771	1	NS5B Inhibition Assay	Inhibition assay using HCV NS5B.
5772	1	Kinase Assay	Selected compounds were screened against a panel of mammalian kinases.  Compounds were supplied in DMSO and screened in duplicates at 100 uM concentration using a radioactive (33P-ATP) filter-binding-assay.
5773	1	Fluorometric Assay	Fluorometric assay using HIV-1 protease.
5774	1	Surface Plasmon Resonance Assay	CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.  
5775	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The FRET assay was performed at 20 C on a FLUOstar (BMG Lab Technologies, D-77656 Offenburg) using 96-well microtiter plates (Dynex Microfluor 2, Chantilly, VA).
5776	1	Enzyme Assay	Enzyme assay using recombinant pfLDH and mLDH (bovine heart).
5777	1	Inhibition Assay	Inhibition assay using gamma-secretase.
5778	1	Fluorescence Assay	Fluorescence titration using alpha-chymotrypsin.
5779	1	Inhibition Assay	Inhibition assay using HIV-1 integrase.
5780	1	Radioligand Binding Assay	Radioligand binding assay using 5-HT6R.
5781	1	P38 MAP Kinase Assay	Kinase assay using p38alpha MAP.
5782	1	PHD Enzymatic Assay	PHD1,2,3 activity was measured utilizing homogeneous time-resolved fluroescence energy transfer techology by detecting the trans-4-hydroxylatio of HIF-1alpha residue pro564 in biotin-hHIR-1alpha(558-574)(Biotin-DLEMLAPYIPMDDDFQL)peptide substrate resulting in a recognition by the Europium-tagged Von Hippel Lindau, Elongin B and Dlongin C heterotrimeric complex (VCB-Eu complex)
5783	1	Inhibition Activity Assay	Recombinant human cathepsin V was expressed and purified as described previously.
5784	1	Inhibition Assay	Inhibition assay using hCB1.
5842	1	Inhibition Assay	Inhibition assay using ECE.
5843	1	ATR Inhibition Assay	Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &mu;M [&gamma;-33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &mu;M target peptide (ASELPASQPQPFSAKKK). Assays were carried out at 25&deg; C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &mu;L of the stock solution was placed in a 96 well plate followed by addition of 2 &mu;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &mu;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25&deg; C. and the reaction initiated by addition of 15 &mu;L [&gamma;-33P]ATP (final concentration 10 &mu;M). The reaction was stopped after 24 hours by the addition of 30 &mu;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) was pretreated with 100 &mu;L 0.2M phosphoric acid prior to the addition of 45 &mu;L of the stopped assay mixture. The plate was washed with 5&times;200 &mu;L 0.2M phosphoric acid. After drying, 100 &mu;L Optiphase 'SuperMix' liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
5844	1	Radioligand Binding Assay	The inhibition constant (Ki) is determined using a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430).
5845	1	Fabl Assay	Inhibition assay using pfENR.
5846	1	Inhibition Assay	Human FPPS was expressed and purified and inhibition assays carried out as described previously.
5847	1	Thermal Shift Assay	ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad).
5848	1	Enzymatic Assay	Binding constants for inhibition of HIV protease were determined as previously described.
5849	1	FAAH Inhibition Assay	Membrane fractions were prepared from Wistar rat brain homogenates, and FAAH activity were assayed by using [3H]anandamide (anandamide[ethanolamine-3H], 60 Cimmol-1, from American Radiolabeled Chemicals, St. Louis, USA) as a substrate.
5850	1	Radioligand Binding Assay	Membranes for radioligand binding experiments are prepared from fresh or frozen cells as described in Klotz et al., Naunyn-Schmiedeberg's Arch. Pharmacol, 357:1-9 (1998). The cell suspension is then homogenized in ice-cold hypotonic buffer (5 mM Tris/HCl, 2 mM EDTA, pH 7.4) and the homogenate is spun for 10 minutes (4&deg; C.) at 1,000 g. The membranes are then sedimented from the supernatant for 30 minutes at 100,000 g and resuspended in 50 mM Tris/HCl buffer pH 7.4 (for A3 adenosine receptors: 50 mM Tris/HCl, 10 mM MgCl2, 1 mM EDTA, pH 8.25), frozen in liquid nitrogen at a protein concentration of 1-3 mg/mL and stored at &minus;80&deg; C. Dissociation constants of unlabeled compounds (Ki-values) are determined in competition experiments in 96-well microplates using the A1 selective agonist 2-chloro-N6-[3H]cyclopentyladenosine ([3H]CCPA, 1 nM) for the characterization of A1 receptor binding. Nonspecific binding is determined in the presence of 100 M R-PM and 1 mM theophylline, respectively.
5851	1	Human NK1 Receptor Binding Assay	IM-9 cells (2&times;10^5 cells/mL) were cultured for 3 days after inoculation, and centrifuged at 500&times;g for 10 min to give cell pellets. The obtained pellets were washed with PBS (Phosphate-Buffered saline) (GIBCO), disrupted in buffer A (50 mM Tris-hydrochloric acid buffer (Tris-HCl) (pH 7.4) containing 120 mM sodium chloride, 5 mM potassium chloride, 2 &mu;g/mL chymostatin, 40 &mu;g/mL bacitracin, 40 &mu;g/mL APMSF (p-amidinophenylmethanesulfonyl fluoride hydrochloride) and 1 mM ethylenediaminetetraacetic acid (EDTA)) using a Polytron homogenizer (Kinematika, Germany), and centrifuged at 100,000&times;g for 40 min. The precipitation fraction was suspended in buffer B (50 mM Tris-HCl (pH 7.4), 0.02% bovine serum albumin, 2 &mu;g/mL chymostatin, 40 &mu;g/mL bacitracin, 40 &mu;g/mL APMSF, 3 mM manganese dichloride (MnCl2)) and cryopreserved (&minus;80&deg; C.) as a receptor reference standard. Buffer B (50 &mu;L) was added to a 96-well microassay plate (Corning Incorporated). The membrane reference standard suspended in buffer B at 250 &mu;g/mL was added by 50 &mu;L. A measurement buffer containing 2% dimethyl sulfoxide was added by 50 &mu;L to examine the total binding, 4 &mu;M non-labeled SP diluted with a measurement buffer containing 2% dimethyl sulfoxide was added by 50 &mu;L to examine the non-specific binding, and a test compound diluted with a measurement buffer (containing 2% dimethyl sulfoxide) was added by 50 &mu;L to examine the binding inhibitory activity of the test compound. Furthermore, 400 &mu;M 125I-Bolton-Hunter-SP (BH-SP) solution was added to each well by 50 &mu;L. After reaction at room temperature for 30 min, the reaction was quenched using a cell harvester (PerkinElmer) by rapid filtration on a GF/C filter plate (PerkinElmer), and the cells were washed 10 times with 250 &mu;L of a 50 mM Tris-hydrochloric acid buffer (pH 7.4) containing 0.02% bovine serum albumin. The GF/C filter plate was dried, MicroScinti-0 (PerkinElmer) was added by 20 &mu;L, and the radioactivity was measured on a TopCount (PerkinElmer). The GF/C filter plate was immersed in 0.3% polyethyleneimine for one day before use.
5851	2	Human NK2 Receptor Binding Assay	CHO cells expressing hNK2 receptor were cultured in a HAM-F12 medium containing 400 ug/mL geneticin, 100 U/mL penicillin, 100 ug/mL streptomycin and 10% inactivated serum. The medium was removed, the adhered cells were washed with PBS, and PBS containing 5 mM EDTA was added to detach the cells from the flask. The cells were collected by centrifugation, suspended in suspension buffer A (15 mM Tris-HCl (pH 7.5), 2 mM MgCl2, 0.3 mM ethylenediaminetetraacetic acid (EDTA), 1 mM O,O'-bis(2-aminoethyl)ethyleneglycol-N,N,N',N'-tetraacetic acid (EGTA)), disrupted by a Polytron homogenizer (Kinematika), and centrifuged at 800xg for 10 min. The supernatant was recovered and ultracentrifuged at 100,000xg for 25 min. The precipitation fraction was suspended in suspension buffer B (7.5 mM Tris-HCl (pH 7.5), 12.5 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA, 250 mM sucrose), and cryopreserved (-80&deg; C.) as a receptor reference standard. Measurement buffer (50 mM Tris-HCl (pH 7.4), 0.02% bovine serum albumin, 2 ug/mL chymostatin, 40 ug/mL bacitracin, 40 ug/mL APMSF, 3 mM MnCl2) (50 uL) was added to a 96-well microassay plate. The membrane reference standard (20 ug/mL) suspended in a measurement buffer was added by 50 uL. A measurement buffer containing 2% dimethyl sulfoxide was added by 50 uL to examine the total binding level, 4 uM non-labeled NK-A (PEPTIDE INSTITUTE, INC.) solution diluted with a measurement buffer containing 2% dimethyl sulfoxide was added by 50 uL to examine the non-specific binding level, and a test compound diluted with a measurement buffer (containing 2% dimethyl sulfoxide) was added by 50 uL to examine the binding inhibitory activity of the test compound. Furthermore, 400 uM [125I]-NK-A (GE Healthcare Bio-Sciences KK) solution was added to each well by 50 uL. After reaction at 25&deg; C. for 30 min, the reaction was quenched using a cell harvester (PerkinElmer) by rapid filtration on a GF/C filter plate, and the cells were washed 5 times with 250 uL of a 50 mM Tris-HCl buffer (pH 7.4) containing 0.02% bovine serum albumin. The GF/C filter plate was dried, MicroScinti-0 (PerkinElmer) was added by 20 uL, and the radioactivity was measured on a TopCount (PerkinElmer). The GF/C filter plate used had been immersed in 0.3% polyethyleneimine for one day.
5851	3	Human NK3 Receptor Binding Assay	CHO cells expressing hNK3 receptor were cultured in a MEMalpha medium (Nikken Seibutsu Igaku Kenkyusho, K.K.) containing 100 U/mL penicillin, 100 ug/mL streptomycin and 10% inactivated dialyzed serum. The medium was removed, the adhered cells were washed with PBS, and PBS containing 5 mM EDTA was added to detach the cells from the flask. The cells were collected by centrifugation, suspended in suspension buffer A (50 mM Tris-HCl (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 2 ug/mL chymostatin, 40 ug/mL bacitracin, 40 ug/mL APMSF, 1 mM EDTA), disrupted by a Polytron homogenizer (Kinematika), and centrifuged at 800xg for 10 min. The supernatant was recovered and ultracentrifuged at 100,000xg for 25 min. The precipitation fraction was suspended in suspension buffer B (50 mM Tris-HCl (pH 7.4), 0.02% bovine serum albumin, 2 ug/mL chymostatin, 40 ug/mL bacitracin, 40 ug/mL APMSF, 3 mM MnCl2), and cryopreserved (-80&deg; C.) as a receptor reference standard. Measurement buffer (50 mM Tris-HCl (pH 7.4), 0.02% bovine serum albumin, 2 ug/mL chymostatin, 40 ug/mL bacitracin, 40 ug/mL APMSF, 3 mM MnCl2) (50 uL) was added to a 96-well microassay plate. The membrane reference standard (300 ug/mL) suspended in a measurement buffer was added by 50 uL. A measurement buffer containing 2% dimethyl sulfoxide was added by 50 uL to examine the total binding level, 16 uM non-labeled NK-B (PEPTIDE INSTITUTE, INC.) solution diluted with a measurement buffer containing 2% dimethyl sulfoxide was added by 50 uL to examine the non-specific binding level, and a test compound diluted with a measurement buffer (containing 2% dimethyl sulfoxide) was added by 50 uL to examine the binding inhibitory activity of the test compound. Furthermore, 400 uM [125I]-NK-B (Neurokinin-B (N-Me-Phe7), [125I]His3-) (PerkinElmer) solution was added to each well by 50 uL. After reaction at 25&deg; C. for 30 min, the reaction was quenched using a cell harvester (PerkinElmer) by rapid filtration on a GF/C filter plate, and the cells were washed 5 times with 250 uL of a 50 mM Tris-HCl buffer (pH 7.4) containing 0.02% bovine serum albumin. The GF/C filter plate was dried, MicroScinti-0 (Perkin Elmer) was added by 20 uL, and the radioactivity was measured on a TopCount (PerkinElmer). The GF/C filter plate used had been immersed in 0.3% polyethyleneimine for one day.
5852	1	Scintillation Proximity Assay (SPA)	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 ul contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S.A. 13.2Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat # SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 uA of YSi-SPA scintillation beads (GE Healthcare, cat. # RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer TopCount Scintillation plate reader.
5853	1	PARP Enzyme Assay	The PARP enzyme assay is set up on ice in a volume of 100 microliters consisting of 100 mM Tris-HCl (pH 8.0), 1 mM MgCl2, 28 mM KCl, 28 mM NaCl, 0.1 mg/ml of DNase I activated herring sperm DNA (Sigma, Mo.), 3.0 micromolar [3H]nicotinamide adenine dinucleotide (470 mci/mmole), 7 micrograms/ml PARP enzyme, and various concentrations of the compounds to be tested. The reaction is initiated by incubating the mixture at 25&deg; C. After 15 minutes of incubation, the reaction is terminated by adding 500 microliters of ice cold 20% (w/v) trichloroacetic acid. The precipitate formed is transferred onto a glass fiber filter (Packard Unifilter-GF/B) and washed three times with ethanol. After the filter is dried, the radioactivity is determined by scintillation counting.
5854	1	Syk Enzyme Assay	Syk was pre-activated at room temperature for 30 mins in the presence of 16.6 mM MgCl2, 8.3 mM ATP and then diluted to 4 nM in 40 mM Hepes pH 7.4, 0.01% BSA. 3 &mu;l of substrate reagent containing biotinylated peptide, Biotin-AAAEEIYGEI (0.5 &mu;M final), ATP (30 &mu;M final) and MgCl2 (10 mM final) in 40 mM HEPES pH 7.4, 0.01% BSA, were added to wells containing 0.1 &mu;l of various concentrations of compound or DMSO vehicle (1.7% final) in Greiner low volume 384 well black plate. The reaction was initiated by the addition of 3 &mu;l of diluted Syk (2 nM final). The reaction was incubated for 60 min at room temperature, then terminated by the addition of 3 &mu;l of read reagent containing 60 mM EDTA, 150 mM NaCl, 50 nM Streptavidin APC (Prozyme, San Leandro, Calif., USA), 0.5 nM antiphosphotyrosine antibody labelled with W-1024 europium chelate (Wallac OY, Turku, Finland) in 40 mM HEPES pH 7.4, 0.03% BSA. The reaction was further incubated for 45 min at room temperature. The degree of phosphorylation of Biotin-AAAEEIYGEI was measured using a BMG Rubystar plate reader (BMG LabTechnologies Ltd, Aylesbury, UK) as a ratio of specific 665 nm energy transfer signal to reference europium 620 nm signal.
5854	2	Aurora B Enzyme Assay	Aurora B (2 &mu;M) was preactivated by equivalent concentration of GST-INCENP in 30 mM Tris-HCl pH 8.0, 0.4 mM ATP, 2 mM MgCl2, 0.1 mM EGTA, 0.1% BME (beta mercaptoethanol), 0.1 mM sodium vanadate, 10 mM DTT for 3 hours at 30&deg; C. This solution was then dialysed for 5 hours against 50 mM Tris-HCl, pH 7.5, 270 mM sucrose, 150 mM NaCl, 0.1 mM EDTA, 0.1% BME, 1 mM benzamidine and 0.2 mM PMSF at 4&deg; C. Aurora B/INCENP complex was aliquoted and frozen at &minus;80&deg; C. &sect;Human INCENP (826-919) clone DU930 was received from University of Dundee, it is a GST N-terminal tagged protein. A final concentration of 2 nM of Aurora B/INCENP complex was added to the assay buffer (25 mM HEPES, 25 mM NaCl 0.0025% Tween-20, pH 7.2 0.015% BSA, 1 &mu;M DTT). 3 &mu;l of this solution was added to wells containing 0.1 &mu;l of various concentrations of compound or DMSO vehicle in Greiner low volume 384 well black plate at room temperature for 30 mins. The reaction was initiated by the presence of 3 &mu;l of substrate reagent containing 100 nM 5FAM-PKA-tide (GRTGRRNSI-NH2), 2 M ATP and 2 mM MgCl2 in assay buffer (25 mM HEPES, 25mM NaCl 0.0025% Tween-20, pH 7.2 0.015% BSA, 1 &mu;M DTT) with a final DMSO level of 1.7%. The reaction was incubated for a further 120 mins at room temperature, and then terminated by the addition of 6 &mu;l of a 1:500 dilution Progressive Binding Reagent solution (Part: R7287) in the manufacturers buffer A (Part: R7285) and manufacturers buffer B (Part R7286) and left to incubate for 120 mins at room temperature. The degree of phosphorylation of the 5FAM-PKA-tide (GRTGRRNSI-NH2) was measured using an Acquest plate reader (Molecular Devices, Sunnyvale, US) with excitation 485 nM, emission at 530 nM and using a 505 nmM dichroic lens.
5854	3	VEGFR2 (KDR) Enzyme Assayy	VEGFR2 (100 nM typically) was activated at room temperature for 20 min. in the presence of 100 mM HEPES, pH 7.5, 10 mM MgCl2, 100 &mu;M ATP, 300 &mu;M DTT, and 0.1 mg/mL BSA. A substrate solution containing 20 mM MgCl2, 100 &mu;M ATP, 0.72 &mu;M biotinylated peptide (Biotin-aminohexyl-EEEEYFELVAKKKK-NH2), was added in 5 &mu;L to the assay plate. The solution of activated VEGFR2 was diluted 100-fold in 200 mM HEPES, pH 7.5, 0.2 mg/mL BSA, and 0.6 mM DTT. The VEGFR2 catalyzed reaction was initiated by the addition of 5 &mu;L of the diluted, activated VEGFR2. Final assay concentrations were 100 mM HEPES, pH 7.5, 10 mM MgCl2, 50 &mu;M ATP, 0.1 mg/mL BSA, 300 &mu;M DTT, 0.36 &mu;M biotinylated peptide substrate, and 0.5 nM VEGFR2 (the final assay concentration of VEGFR2 may vary depending on the specific activity of different batches of enzyme). The reaction was run for 90 min. at room temperature and then terminated by the addition of 5 &mu;L of 150 mM EDTA, pH 8. The background signal of the assay was established in wells where the addition of the 150 mM EDTA was instead made prior to adding substrate and enzyme solutions. HTRF detection solution containing 200 mM HEPES, pH 7.5, 0.1 mg/mL BSA, 30 nM Streptavidin SureLight&reg;-APC (PerkinElmer, Boston, Mass., USA), and 4 nM LANCE&reg; europium-labelled antiphosphotyrosine antibody (Perkin Elmer, Boston, Mass., USA) was added in 5 &mu;L. After incubation for 10 min. at room temperature, phosphorylation of the biotinylated peptide substrate was measured as a ratio of specific 665 nm energy transfer signal to reference europium 615 nm signal using a Viewlux 1430 ultraHTS Microplate Imager (PerkinElmer, Turku, Finland).
5855	1	DPP-IV Assay	Enzymatic reactions were conducted for various concentrations of inhibitors, using 100 &mu;M Ac-Gly-Pro-AFC at 25&deg; C. in a buffer solution containing 50 mM HEPES (pH 7.4), with the concentration of DPP-IV being 7.1 nM. IC50 values of the inhibitors were determined by measuring the amount of fluorescence so emitted in a fluorescence spectrometer after allowing an enzymatic reaction for 1 hour, and then calculating the concentration of inhibitors exhibiting 50% inhibition of the total enzymatic reaction. Spectra MAX GeminiXS fluorescence spectrometer (Molecular Device Co.) was used as the fluorescence spectrometer and the excitation and emission wavelengths were set to 400 nm and 505 nm, respectively.
5855	2	DPP-II Assay	Enzymatic reactions were conducted for various concentrations of DPP-IV inhibitors, using 0.018 &mu;g DPP-II and 100 &mu;M Gly-Pro-AFC in a buffer solution containing 50 mM acetic acid (pH 4.5) at room temperature. IC50 values of the inhibitors were determined by tracing the reaction rate using a fluorescence spectrometer for 60 min and analyzing the results using TableCurve 2D (v 5.01). DPP-IV inhibitors were analyzed using the fluorescence spectrometer at the excitation and emission wavelengths of 405 nm and 505 nm, respectively.
5855	3	DPP-VIII Assay	DPP-VIII was obtained and purified. Using Gly-Pro-AFC as the substrate, DPP-IV inhibitors as set forth in Table 2 below were assayed for DPP-VIII inhibitory activity. Enzymatic reactions were conducted for various concentrations of DPP-IV inhibitors, using 0.0049 &mu;g DPP-VIII and 100 &mu;M Gly-Pro-AFC in a buffer solution containing 50 mM HEPES (pH 7.5) at room temperature. IC50 values of the inhibitors were determined by tracing the reaction rate using a fluorescence spectrometer for 60 min and analyzing the results using TableCurve 2D (v 5.01). DPP-IV inhibitors were analyzed using the fluorescence spectrometer at the excitation and emission wavelengths of 405 nm and 505 nm, respectively.
5855	4	DPP-IX Assay	DPP-IX was obtained and purified. Using Gly-Pro-AFC as the substrate, DPP-IV inhibitors as set forth in Table 2 below were assayed for DPP-IX inhibitory activity. Enzymatic reactions were conducted for various concentrations of DPP-IV inhibitors, using 200 ng DPP-IX and 100 &mu;M Gly-Pro-AFC in a buffer solution containing 50 mM HEPES (pH 7.5) at room temperature. IC50 values of the inhibitors were determined by time-course tracing of the reaction rate using a fluorescence spectrometer and analyzing the results using TableCurve 2D (v 5.01). DPP-IV inhibitors were analyzed using the fluorescence spectrometer at the excitation and emission wavelengths of 405 nm and 505 nm, respectively.
5856	1	Luminometric Assay	The reaction mixture contained 50 mM tris acetate (Merck, #1.08382.1000), pH 7.5, 250 &mu;M acetyl coenzyme A (Sigma, #A2181),16 mM NaHCO3 (Merck, #1.06329.0500), 0.9 mg/ml bovine serum albumin (Sigma, #A8806), 25 &mu;M ATP (Sigma, #A7699), 1.1 &mu;M &beta;-mercaptoethanol (Roth, #4227,1), 4.3 mM magnesium acetate ((Merck, #1.05819.0250), 10 mM sodium citrate (Merck, #1.06448.0500) and 200-400 ng of the ACC preparations. The mixture also contained a test compound. The test compounds were each dissolved in 10 mM DMSO and were assayed at final concentrations of 0 &mu;M, 0.01 &mu;M, 0.03 &mu;M, 0.1 &mu;M, 0.3 &mu;M, 1 &mu;M, 3 &mu;M, 10 &mu;M, 30 &mu;M and 100 &mu;M. The final concentration of the DMSO in the assay was 0.1% (v/v). The reaction was started by adding ACC and was carried out at 37&deg; C. for 90 min. The reaction was then stopped by adding 150 &mu;l of 0.5 M tris acetate. 10 &mu;l of the mixture were removed and mixed with 90 &mu;l of ATP monitoring reagent (Cambrex, #LT27-002). After incubation for 10 min, the luminescence was measured in a luminometer (Tecan Genios Pro).
5858	1	Inhibition Assay	Accumulation of pheophorbide a, a fluorescent ABCG2 substrate (Jonker et al., Proc. Natl. Acad. Sci. USA, 99: 15649-54 (2002) and Robey et al., Cancer Res., 64: 1242-6 (2004)), formed the basis of the assay for inhibitors of ABCG2 activity (Henrich et al., J. Biomol. Screen, 11: 176-83 (2006)). Briefly, NCI-H460/MX20 cells are transferred to black wall, clear bottom 384-well polylysine-coated assay plates (Corning, Corning, N.Y.) and allowed to attach for several hours. Pheophorbide a (1 &mu;M final concentration) is added immediately followed by compounds or vehicle (DMSO/PBS) control and incubated an additional 18 h. After removal of medium and washing with PBS containing Ca2+ and Mg2+, fluorescence intensity is read on a Tecan Safire fluorescence plate reader in bottom read mode, 395 nm excitation, and 670 nm emission. Each plate has control wells containing 10 &mu;M (final concentration) FTC.
7008	1	Kinase Assay	MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a substrate. The extent of FITC-labeled histone H3 peptide phosphorylation was measured by immobilized metal ion affinity-based fluorescence polarization (IMAP) technology (Sportsman J R, et al., Assay Drug Dev. Technol. 2: 205-14, 2004) using IMAP FP Progressive Binding System (Molecular Devices Corporation). Test compounds were dissolved in DMSO at 12.5 mM and then serially diluted as the DMSO concentration in the assays to be 1%. The serially diluted compounds, 0.8 ng/micro-L PBK (Carna Biosciences) and 100 nM FITC-labeled histone H3 peptide were reacted in a reaction buffer (20 mM HEPES, 0.01% Tween-20, 0.3 mM MgCl2, 2 mM dithiothreitol, 50 micro-M ATP, pH 7.4) at room temperature for 1 hour. The reaction was stopped by the addition of three fold assay volume of progressive binding solution. Following 0.5 hour incubation at room temperature.
7012	3	Inhibition assay	Compound (1) was mixed with 50 uL of buffer C [containing 100 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES, pH 7.5), 500 mM NaCl, 10% DMSO and 170 mM 5,5'-dithiobis-(2-nitrobenzoic acid) (DTNB)], where sivelestat is used as the control group.
7025	1	Binding Assay	Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea and purified under denaturing conditions using nickel-charged HisTrap HP columns (GE Healthcare). The protein was refolded by diluting to approximately 0.25 mg/mL with 6 M urea, 20 mM Hepes pH 7.0, 500 mM NaCl, 1 mM DTT, 1 mM EDTA, and 0.5 M arginine HCl, and then dialyzing overnight into the same buffer without the urea. The protein was further dialyzed into 20 mM Hepes pH 6.5, 50 mM NaCl, 1 mM EDTA, and 1 mM DTT, filtered, and then concentrated using Hitrap SP sepharose FF columns (GE Healthcare). The protein was dialyzed into 20 mM Hepes pH 7.0, 500 mM NaCl, 5 mM DTT, and 10% glycerol and stored at -80 °C until use. Test compounds (1.6 mM stock in DMSO) were diluted 3 fold in series in DMSO. Compound solutions were diluted 4 fold in Assay Buffer (50 mM sodium phosphate, pH 6.5, 50 mM KC1, 1 mM DTT and 0.5 mg/mL gammaglobulin).
7031	1	LANCE ULight TR-FRET Kinase Assay	CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in 100% DMSO to white low volume assay plates (Perkin Elmer Proxiplate 6008289) using a Labcyte Echo acoustic dispenser. Assay reagents in serine/threonine kinase assay buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM Na3VO4, and 0.0075% Triton X-100. were added for final reaction mixture concentrations of 1000 uM ATP, 100 nM U-light MBP peptide (Perkin Elmer TRF0109M) and reaction initiated with 4 nM CDK9/Cyclin T1 (Carna Biosciences 04-110). The kinase reaction was carried out for 30 minutes before addition of stopping buffer to a final of 20 mM EDTA and 0.5 nM of LANCE Ultra Europium anti-phospho-MBP antibody (PerkinElmer TRF0201M) in LANCE detection buffer (PerkinElmer CR97-100). The reaction was equilibrated for 1 hour and the signal read in the Perkin Elmer Envision in TR-FRET mode.
8409	1	Esterase Activity Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25 °C using a spectrophotometer (Shimadzu, UVmini-1240 UV-VIS spectrophotometer) according to the method described by Verpoorte et al.37 The enzymatic reaction contained 1.4mL 0.05M Tris-SO4 buffer (pH 7.4), 1mL 3mM 4-NPA, 0.5mL H2O and 0.1mL enzyme solution (total volume, 3.0 mL). A reference measurement was obtained bypreparing the mixture without the enzyme solution. All measurements were recorded in triplicate.
5860	1	Inhibition Assay	Inhibition of Rho kinase 2 and Rho kinase 1 activity was determined using the IMAP&trade; Screening Express Kit (Molecular Devices product number #8073). Rho kinase 2 enzyme (Upstate/Chemicon #14-451), Rho kinase 1 (Upstate/Chemicon #14-601) and Flourescein tagged substrate peptide F1-AKRRRLSSLRA (Molecular Devices product number R7184) was pre-incubated with a test compound for 5 minutes in buffer containing 10 mM Tris-HCl pH 7.2, 10 mM MgCl2, and 0.1% BSA. Following the pre-incubation, 10 &mu;M ATP was added to initiate the reaction. After 60 minutes at room temperature, Molecular Devices IMAP&trade; binding solution was added to bind phosphorylated substrate. After 30 minutes of incubation in the presence of the IMAP&trade; beads, the fluorescence polarization was read and the ratio was reported as mP.
5861	1	In Vitro Inhibition Assay	Measurements were performed in a reaction volume of 50 &mu;L using 96-well assay plates. Kinase enzyme, inhibitor, ATP (at the Km for the kinase), and 1 &mu;M peptide substrate (Biotin-AVLESEEELYSSARQ-NH2) were incubated in a reaction buffer composed of 20 mM Tris, 50 mM NaCl, MgCl2 (5-25 mM depending on the kinase), MnCl2 (0-10 mM), 1 mM DTT, 0.1 mM EDTA, 0.01% bovine serum albumin, 0.005% Tween-20, and 10% DMSO at pH 7.4 for one hour. The reaction was quenched by the addition of 1.2 equivalents of EDTA (relative to divalent cation) in 25 &mu;L of 1&times; Lance buffer (Perkin-Elmer). Streptavidin-APC (Perkin-Elmer) and Eu-labeled p-Tyr100 antibody (Perkin-Elmer) in 1&times; Lance buffer were added in a 25 &mu;L volume to give final concentrations of 100 nM and 2.5 nM, respectively, and the mixture was allowed to incubate for one hour. The TR-FRET signal was measured on a multimode plate reader with an excitation wavelength (&pi;Ex) of 330 nm and detection wavelengths (&pi;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity was measured at various concentrations of compound. Negative control reactions were performed in the absence of inhibitor in replicates of six, and two no-enzyme controls were used to determine baseline fluorescence levels.
5862	1	HDAC Inhbition Assay	Assay was done in 96-well black microplate and total volume of the assay was 100 pt. Mouse liver enzyme (10 mg/ml) was diluted 1:6 with HDAC buffer. Enzyme cocktail was made of 10 &mu;L of diluted enzyme and 30 &mu;L of HDAC buffer. 40 &mu;l of enzyme cocktail followed by 10 &mu;L of test compound (1 &mu;M and 10 &mu;M) or buffer (control) was added to each well. The plate was pre-incubated at 37&deg; C. for 5 minutes. The HDAC reaction was started by adding 50 &mu;l of HDAC substrate Boc-Lys (Ac)-AMC (Bachem AG, Switzerland). The plate was incubated at 37&deg; C. for 30 min. The reaction was stopped by adding 100 &mu;L, of Trypsin stop solution and incubating at 37&deg; C. for 15-30 min. Measuring the fluorescence at excitation wavelength of 360 nm and emission wavelength of 460 nm monitored the release of AMC. Buffer alone and substrate alone served as blank.
5863	1	ORL-1 Receptor Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 &mu;g membrane protein in a final volume of 500 &mu;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25&deg; C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 5004 ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. Fifty &mu;L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well.
5863	3	&kappa;-opioid Receptor Binding Assay	Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 &mu;g membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &mu;L binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &mu;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25&deg; C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 2004 ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 1-2 hours. Fifty &mu;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
5863	2	&mu;-opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for &mu;-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 &mu;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at about 25&deg; C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 &mu;L of ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 &mu;L/well), and plates were counted using a Packard Top-Count for 1 min/well.
5864	1	Biochemical Assay	The ingredients required for this purpose are mixed in a black 384-well microtiter plate with transparent base (from Greiner, catalog number 781092). The requirements in this connection for each well of the 384-well microtiter plate are 5 nM GSK3&beta; (from Upstate, catalog number xy), 40 &mu;M GSK3&beta; substrate GSM (sequence H-RRRPASVPPSPSLSRHS-(pS)-HQRR, from Upstate, catalog number 2-533), 30 &mu;M nicotinamide adenine dinucleotide NADH (Roche Diagnostics, catalog number 10107735), 50 &mu;M adenosine triphosphate ATP (from Sigma, catalog number A7966) and 2 mM phosphoenolpyruvate (from Roche, catalog number 128112). The required reaction buffer in which the biochemical reaction takes place consists of 50 mM Trizma hydrochloride Tris-HCl pH: 7.5 (from Sigma, catalog number T3253), 5 mM magnesium chloride MgCl2 (from Sigma, catalog number M8266), 0.2 mM DL-dithiothreitol DTT (from Sigma, catalog number D9779), 2 mM ethylenediaminetetraacetic acid EDTA (from Sigma, catalog number E6758), 0.01% Triton X-100 (from Sigma, catalog number T8787) and 0.05% bovine serum albumin BSA (from Sigma, catalog number B4287). Active substances are dissolved in dimethyl sulfoxide DMSO (from Sigma, catalog number D8418) in a concentration of 10 mM. Active substances are added in serial concentrations of 10 &mu;M, 1 &mu;M, 0.1 &mu;M, 0.01 &mu;M, 0.001 &mu;M, 0.0001 &mu;M, 0.00001 &mu;M, 0.000001 &mu;M to the mixtures of the biochemical reaction. As control, dimethyl sulfoxide is added instead of substance in a final concentration of 0.1%. The reaction is incubated at 30&deg; C. for 2 hours and then the resulting fluorescence is measured in a Tecan Safire-XFLUOR4 instrument, version V4.50 (serial number 12901300283) with the specifications: measurement mode&minus;fluorescence measured from below, extinction wavelength 340 nm, emission wavelength 465 nm, slit width extinction 5 nm, slit width emission 5 nm, gain mode 120, delay 0 &mu;s, number of light flashes per measurement 3, and an integration time of 40 &mu;s.
5866	1	Fluorescence Polarization Competition Immunoassay	A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-1R555-568 peptide (SYEGNSYTFIDPTQ). The assay was performed in black 96-well microplates (Cat #42-000-0117, Molecular Devices, Sunnyvale, Calif.). To each well, 5 &mu;L of compound (in 4% DMSO) were mixed with 2 &mu;L of 3.5 nM CSF-1R, 25 mM MgCl2 in assay buffer (100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20), and 2 &mu;L of 1540 &mu;M peptide in assay buffer. The kinase reaction was initiated by adding 1 &mu;L of 10 mM ATP in assay buffer. The final concentrations in the 10 &mu;L reaction mixture were 100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20, 2% DMSO, 308 M SYEGNSYTFIDPTQ, 1 mM ATP, 5 mM MgCl2, and 0.7 nM CSF-1R. Positive and negative control wells were included on each plate, where 4% DMSO in assay buffer was substituted for the compound; in addition, positive control wells received 1.2 &mu;L of 50 mM EDTA before the start of the reaction. The plates were covered and incubated at room temperature for 80 min. Reactions were stopped by addition of 1.2 &mu;L of 50 mM EDTA. Each well then received 10 &mu;L of a 1:1:3 mixture of 10&times; anti-phosphotyrosine antibody, 10&times; PTK green tracer, and FP dilution buffer, respectively (Cat. #P2837, Invitrogen, Carlsbad, Calif.). The plates were covered, incubated for 30 min at room temperature, and the fluorescence polarization was read on an Analyst plate reader (Molecular Devices). Instrument settings were: 485 nm excitation, 530 nm emission, with a 505 nm cut-off filter; Z height: middle of well; G factor: 0.93. Under these conditions, the fluorescence polarization values for positive and negative controls were approximately 290 and 160, respectively, and were used to define 100% and 0% inhibition of the CSF-1R reaction.
5867	1	Inhibition Assay	Briefly, 2-10 nM of purified NS3 protease domains were pre-incubated at 37&deg; C. for 10 minutes with 20 &mu;M isogenic NS4A peptide cofactors (Sigma, St. Louis, Mo.), in 40% glycerol buffer with 50 mM HEPES pH 7.5 and 10 mM DTT. Compounds were diluted serially 1:3 in DMSO, incubated with the enzyme/cofactor mixture for 10 minutes and reactions were started by the addition of 2 &mu;M RET S1 substrate (final concentration). Fluorescence increase was measured continuously over one hour using a Victor3 V fluorescence plate reader (Perkin Elmer, Waltham, Mass.).
5868	1	Luciferase-Based Assay	Recombinant human c-Src or Yes (28 ng/well, Panvera/Invitrogen, Madison Wis.), ATP (3 &mu;M), a tyrosine kinase substrate (PTK2, 250 &mu;M, Promega Corp., Madison Wis.), and test agents (at concentrations ranging from about 1 nM/l to about 100 &mu;M/l), in the presence of Src kinase reaction buffer (Upstate USA, Lake Placid N.Y.). After reacting for about 90 minutes at room temperature, residual ATP was determined using a luciferase-based assay (KinaseGlo, Promega Corp.) as a measure of kinase activity.
8361	1	Enzymatic Assay	Enzyme solutions were prepared in gelatine solution (1%), at a concentration of 2.5 units/mL. AChE or BChE solution (50 &#956;L) and compound solution (50 &#956;L), which is prepared in 2% DMSO at a concentration range of 10^&#8722;1-10^&#8722;6 mM, were added to 3.0 mL phosphate buffer (pH8 ± 0.1) and incubated at 25°C for 5 min. The reaction was started by adding (DTNB) (50 &#956;L) and ATC (10 &#956;L) to the enzyme-inhibitor mixture. The production of the yellow anion was recorded for 10 min at 412 nm. As a control, an identical solution of the enzyme without the inhibitor was processed following the same protocol. The blank reading contained 3.0 mL buffer, 50 &#956;L 2% DMSO, 50 &#956;L DTNB and 10 &#956;L substrate. All processes were assayed in triplicate.
5868	2	Luciferase-Based Assay	Pdgfr&beta; (0.16 ug/well, Panvera/Invitrogen) 500 nM ATP and the PTK2 peptide (700 uM) were combined with compound and reaction buffer as noted above for src. The reaction was incubated for 60 minutes at 37 C, and the residual ATP concentration was determined using the luciferase-based technique.
5868	3	Luciferase-Based Assay	EphB4 kinase activity was similarly measured, using the luciferase-based technique described above. 28.9 mU/well EphB4 (Upstate) was reacted with 1 mg/ml poly(glu4tyr), 6 uM ATP and test reagents. The reaction was incubated for 60 minutes at 37 C and the residual ATP concentration was measured.
5869	1	Radioligand Binding Assay	Radioligand dose-displacement binding assays for &mu;-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 &mu;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylemimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 &mu;l of ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 &mu;l/well), and plates were counted using a Packard Top-Count for 1 min/well.
5869	2	Radioligand Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 &mu;g membrane protein in a final volume of 500 &mu;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 &mu;l ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. Fifty &mu;l/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well.
5870	1	Amplified Luminescent Proximity Assay	To measure JAK2 kinase activity, a commercially available purified enzyme may be used. The enzyme may be a C-terminal His6-tagged, recombinant, human JAK2, amino acids 808-end, (Genbank Accession number NM 004972) expressed by baculovirus in Sf21 cells (Upstate Biotechnology MA). After incubation of the kinase with a biotinylated substrate and adenosine triphosphate (ATP) for 60 minutes at room temperature, the kinase reaction may be stopped by the addition of 30 mM ethylenediaminetetraacetic acid (EDTA). The reaction may be performed in 384 well microtitre plates and the reaction products may be detected with the addition of streptavidin coated Donor Beads and phosphotyrosine-specific antibodies coated Acceptor Beads using the EnVision Multilabel Plate Reader after an overnight incubation at room temperature.
5871	1	In Vitro Enzyme Assay	Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, # PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, # PO275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, # DY990). The reaction was carried out in a 50 &mu;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &mu;M Na3VO4, 5 &mu;M ATP (Cell Signaling Technology, #9804) and serial dilutions of the test compound. The reaction lasted for 25 minutes at 30&deg; C. After the reaction was completed, the contents of the plates were discarded. Plates were then washed with TBS-T (250 &mu;L/well, 5&times;) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &mu;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody (Sigma, # A5964) diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour. Plates were washed with TBS-T (250 &mu;L/well, 5&times;) and followed by the color reaction using 100 L (1:1 mixture) of H2O2 and tetramethylbenzidine (R&D Systems, # DY999). The reaction was stopped in minutes with 1004 of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm.
5872	1	Inhibition Assay	Inhibition assay using PIM-1, PIM-2 and PIM-3.
5873	1	In Vitro Kinase Assay	Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The kinase reaction contains 30 &mu;M substrate peptide, 20 &mu;M ATP, 60 nM ligand and one of either 25 nM pre-activated Mnk1 or 2.5 nM pre-activated Mnk2a. The reaction buffer conditions are 16 mM HEPES/KOH pH 7.4, 8 mM MgCl2, 0.4 mM DTT, 0.08% (w/v) bovine serum albumin (BSA, Sigma, Germany, cat. no. A3059), 0.008% (w/v) Pluronic F127 (Sigma, Germany, cat. no. P2443), 3% (v/v) DMSO (Applichem, Germany, cat. no. A3006). The kinase reaction is at 30&deg; C. for 40 min. The kinase reaction is terminated by addition of 0.67 reaction volumes of 1 &mu;M antibody in 20 mM HEPES/KOH pH 7.4, 50 mM ethylenediaminetetraacetic acid, disodium salt (EDTA, Sigma, Germany, cat. no. E5134), 0.5 mM DTT, 0.05% (w/v) polyoxyethylene-sorbitan monolaureate (Tween 20, Sigma, Germany, cat. no. P7949). After 1 h equilibration time at room temperature, samples are subjected to fluorescence polarization measurement. The fluorescence polarization readout was generated on an Analyst AD multimode reader (Molecular Devices, Sunnyvale, Calif., USA) equipped with a DLRP650 dichroic mirror (Omega Opticals, Brattleboro, Vt., USA, cat. no. XF2035), a 630AF50 band pass filter (Omega Opticals, Brattleboro, Vt., USA, cat. no. XF1069) on the excitation and a 695AF55 band pass filter on the emission side (Omega Opticals, Brattleboro, Vt., USA, cat. no. XF3076).
5874	1	DPP IV Assay	Inhibitory concentration of the compound against Dipeptidyl peptidase IV (DPP IV) in Homo sapiens (human)is measured
5875	1	NADs HPLC Enzyme Assay	Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay
5875	2	NaMNAT HPLC Enzyme Assay	Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme Assay
5876	1	Inhibition Assay	Inhibition activity of HCV NS3-NS4A.
5877	1	Inhibition Assay	Various concentrations of the substances to be tested are dissolved in dimethyl sulphoxide and mixed with an aqueous refludan solution (10 &mu;g/ml). In clear 96-well plates having a flat bottom, 30 &mu;l of citrate plasma (Octapharma) are mixed with 10 &mu;l of the substance dilution. Then, either 20 &mu;l of a solution of a rattlesnake toxin (Russel viper venom (RVV); RVV reagent: Pentapharm 121-06, final concentration 0.6 mU) in an aqueous calcium chloride solution buffer (final concentration of calcium chloride 0.05 M) or 20 &mu;l of the aqueous calcium chloride solution (final concentration of calcium chloride 0.05 M) without RVV reagent (as reference for an unstimulated sample) are added. After addition of 20 &mu;l of ChromozymX substrate (final concentration 1.6 mmol/l, Bachem L-1565, diluted in water) the samples are measured in a SpectraFluor Reader using a measurement filter of 405 nm each minute over a period of 20 minutes.
5877	2	Inhibition Assay	Various concentrations of the substances to be tested are dissolved in dimethyl sulphoxide and diluted with water. In white 96-well plates having a flat bottom, 20 &mu;l of substance dilution are mixed with 20 &mu;l of ecarin solution (ecarin reagent, from Sigma E-0504, final concentration 20 mU per batch) in Ca buffer (200 mM Hepes+560 mM sodium chloride+10 mM calcium chloride+0.4% PEG) or with 20 &mu;l of Ca buffer (as unstimulated control). Furthermore, 20 &mu;l of fluorogenic thrombin substrate (from Bachem I-1120, final concentration 50 &mu;mol/l) and 20 &mu;l of citrate plasma (from Octapharma) are added and homogenized thoroughly. The plate is measured in a SpectraFluorplus Reader using an excitation filter of 360 nm and an emission filter of 465 nm each minute over a period of 20 minutes.
5878	1	In Vitro Binding Assay	In vitro binding activity of TSPO.
5879	1	Spectrophotometic Assay	Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates.  QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R.C.J. 1989 J Neurosci Methods 30, 23-28).
5880	1	AlphaScreen Assay	Compounds of the invention were tested for ACK1 inhibition activity. 1 uL compounds prepared at 15&times; in 4 mM DMSO were combined with 9 uL ATP solution in assay buffer containing 50 mM Hepes, 1% glycerol, 1.665 mM MnCl2 and Poly-(GT)-Biotin (Cisbio #61GT0BLD, 1:1500 dilution) in ProxiPlate-384 Plus plate (PerkinElmer #6008280). Final DMSO concentration was 0.25% with an ATP final concentration of 100 uM. The reaction was started by adding 5 uL ACK1 solution (Carna, 15 pg/uL final in assay) in an enzyme buffer containing 50 mM Hepes, 0.24 mM EGTA, 0.024% Brij-35, 3 mM DTT, 0.01% BSA. Reaction was allowed to occur for 20 min., shaking, at RT. Anti PT66 acceptor beads and Streptavidin donor beads (PerkinElmer #6760602R) were prepared by adding each at 1:160 dilution in a detection buffer containing 25 mM Tris-HCl, 250 mM NaCl, 100 mM EDTA, 0.25% BSA. Prepared beads were added to assay plate at 5 uL well and allowed to incubate protected from light, shaking, for 2 hrs at RT. Plates were read on AlphaQuest reader.
5881	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP&reg; FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP&reg; technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &mu;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &mu;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate.
5882	1	Competitive Inhibition Assay	In vitro binding assay: The affinities of compounds for opioid receptors were determined by competitive inhibition of [3H]diprenorphine binding to kappa opioid receptors (KOPR).
5883	1	Calcium Uptake Assay	Calcium uptake assay:  The inhibition of TRPV3 receptor activation was followed as inhibition of 2-aminoethoxydiphenylborate (2-APB) induced cellular uptake of radioactive calcium.
5884	1	ECL Assay	End point electrochemiluminescence (ECL) assay: a homogeneous ECL assay is performed using a biotinylated BACE substrate.
5885	1	In Vitro Inhibition Assay	In vitro inhibition assay using GABA receptor.
5886	1	Inhibition Assay	PDE10A inhibition assay.
5887	1	Enzyme Assay	Inhibition constant of the compound against Plasminogen activator urokinase
5887	2	Enzyme Assay	Inhibition constant of the compound against Plasmin
5887	4	Enzyme Assay	Inhibition constant of the compound against Thrombin
5887	3	Enzyme Assay	Inhibition constant of the compound against Trypsin
5888	1	ELISA Assay	Activity of VEGFR-3 is measured by ELISA assay by measuring the intensity of phosphorylation of the substrate poly Glu-Tyr.
5889	1	Fluorescence Polarization Competition Assay	An autophosphorylation, fluroescence polarization competition immunoassay was used to determine the potency for c-fms inhibition.
5890	1	Time-Resolved Fluorescence Resonance Energy Transfer Assay	Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.
5891	1	Binding Assay	Binding affinity of protein kinase C (PKC).
5892	1	Inhibition Assay	Inhibition of HIV integrase.
5893	1	FRET Assay	Inhibition activity of renin using FRET assay.
5894	1	Colorimetric Assay	Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay.
5896	1	Enzyme Inhibition Assay	Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif). 
5897	1	Binding Assay	The compounds were studied in binding assays to determine selectivity and potency to A1, A2a and A3 adenosine receptors.
5898	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)  Assay	The kinase assay is based on the LanthaScreen technology.  LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.
5900	1	In Vitro Inhibition Assay	MEK phosphorylation inhibition activity.
5901	1	Enzyme Inhibition Assay	HSL enzyme activity was measured by a colorimetric assay.
5904	1	Enzyme Inhibition Assay	Enzyme inhibitory assay utilizes a protocol described by Toth and Marshall (Toth, M. V.; Marshall G.R. A simple, continuous fluormetric assay for HIV protease. Int. J. Pep. Protein Res. 1990, 36, 544-550).
5905	1	Inhibition Assay	SIRT1 inhibition assay.
5906	1	Radioligand Binding Assay	The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format.
5907	1	Binding Assay	Binding assay using human AT1.
5915	1	In Vitro Inhibition Assay	In vitro cathepsin inhibition assay.
5916	1	In Vitro Assay	In vitro inhibition assay of Chymase.
5917	1	Calcium Fluorescence Assay (FLIPR) 	CXCR2 inhibition using calcium fluorescence assay (FLIPR).
5918	1	Binding Assay	ATP-site dependent competition binding assay using Ambit KinomeScan Screening kit.
7044	1	Inhibition Assay	Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA 91 : 4096-4100 (1994). Representative compounds of the present invention exhibit inhibition of HIV replication in this assay (also referred to herein as the "spread assay"). For example, as shown by their IC95 values in Table 3 below, some of the compounds set forth in the foregoing Examples were tested in this assay and found to exhibit inhibition of HIV- 1 replication. 
7046	1	Homogeneous Time Resolved Fluorescence Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBacl (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator [5-[({[2-(2-{3-[3-(tert-Butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid]. The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 ug/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid].
5920	1	In Vitro Enzyme Assay	In vitro JNK1 assay.
5923	1	Enzyme Assay	HCV NS5B enzyme assay.
5924	1	Competition Binding Assay	Competition binding assay using hNK3 receptor.
5926	1	Binding Assay	Receptor binding assay.
5928	1	Uptake Inhibition Assay	Glycine uptake inhibition assay.
5930	1	Inhibition Assay	Inhibition assay using sphingosine-1-phosphate receptor 3.
5931	1	Inhibition Assay	EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.
5932	1	Biological Assay	Biological assay using monoamine oxidase or LSD1.
5933	1	Inhibition Assay	Inhibition assay using HCV NS5B.
5935	1	In Vitro Inhibition Assay 	In Vitro assay determination of the activity and selectivity of HIF Prolyl 4-hydroxylase inhibitors.
5936	1	Spectrophotometric Assay	This novel assay was used to determine the kinetic parameters for most of the QC substrate.  QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R.C.J. 1989 J neurosci Methods 30, 23-28) utilizing glutamate dehydrogenase as auxiliary enzyme.
5937	1	Binding Assay	Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displacement).
5943	1	FLIPR Assay 	FLIPR assay using orexin receptor.
5945	1	Scintillation Proximity Assay (SPA)	CCR1 ligand binding using scintillation proximity assay (SPA).
5946	1	Enzyme Assay	EGLN enzyme activity assay is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS.
5946	2	ELISA Assay	ELISA assay using VEGF.
5947	1	Inhibition Assay	For determining the SSAO/VAP-1 activity, the colorimetric method described by Holt, A (Holt, A., Biochem. 244, 384, 1997) for monoamine oxidase and analogous enzymes was used.
5948	1	Binding Assay	Binding assay of opioid receptor.
5950	1	Inhibition Assay	MAT2A was incubated with FIDAS agents at RT for 20 min andthen mixed with L-methionine and ATP in 0.5 mL of reaction buffer.Cold deionized water (2 mL) was added to stop the reaction anddilute the samples.
5952	1	Radioligand Binding Assay	Radioligand binding assay using CRTH2.
5953	1	Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration.  The interactions of Btk, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate.  Biotinylated product is bound streptavidin sepharose beads.  All bound, radiolabeled products are detected by scintillation counter.
5955	1	Kinase Assay	Protein kinase activity measured by the microfluidic caliper method.
5956	1	In Vitro Inhibition Assay	JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.
5959	1	Inhibition Assay	Inhibition assay using TNF-alpha.
5961	1	Spectrophotometric Assay	Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates.  QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R.C.J. 1989 J Neurosci Methods 30, 23-28) utilizing glutamate dehydrogenanse as auxiliary enzyme.
5962	1	Binding Assay	Binding assay using alpha 7 nAChR.
5964	1	Competitive Binding Assay	Competitive binding assay using ghrelin receptor.
5965	1	Binding Assay	The ER binding affinity of the compounds was determined using an in vitro competitive radioligand binding assay was [2,4,6,7-3H(N)]-Estradiol ([3H]E2), a natural high affinity ER ligand, and bacterially expressed GST fusion ER-alpha or ER-beta ligand binding domain (LBD) protein.
5966	1	Inhibition Assay	Inhibition assay using hSGLT2.
5967	1	Enzyme Activity Assay	The fluorogenic substrate used for measuring Der p 1 proteolytic activity was 2-aminobenzoylvalylalanylnorleucylseryl-(3-nitro)tyrosinyl aspartamide.    This compound is internally quenched by fluorescence resonance energy transfer (FRET)(see Zhang, et al., 2007).
5968	1	Biochemical Assay	Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.
5968	2	Biochemical Assay	Biochemical assay using CisBio KinEASE HTRF Assay technology.
5973	1	Calcium Mobilization Assay	Calcium mobilization assay using MCHR1.
5974	1	Radioactivity Assay	The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-587 (1995): Sam, K. M. et al., Drug Des Discov., 15:157-180 (1997)).  The radioactivity is determined by means of scintillation measurement.
5974	2	Inhibition Assay	Inhibition assay using P450 CYP enzymes.
5977	1	Calicum Fluorescence Assay	The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes).  
5979	1	Binding Assay	The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competitive binding assay using purified baculovirus-expressed human ER beta or ER alpha and a fluorescent estrogen ligand EL Red (PanVera Corp.).
5980	1	Binding Assay	Binding assay using melatonin receptors 1 or 2.
5981	1	Kinase Assay	Tyrosine kinase activity assay (NADH Read-Out) using c-Met receptor.
5981	2	Time-Resolved Fluorescence Assay	Homogeneous time-resolved fluorescence assay using c-Met receptor tyrosine kinase.
5982	1	Enzyme Assay	ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polycolonal antiserum raised to amino acids 400-480 of ATR (Tibbetts R S et, al, 1999, GenesDev.13:152-157).
5982	2	Cellular Assay	ATM and ATR have distinct and overlapping responses to DNA damage.  They must participate together and responses must be co-ordinated.  Both pathways may be activated by ionising radiation, however only ATR is activated by UV.  Since UV treatment is not practical for use in a high throught-put cell assay, the UV mimetic 4NQ0 (Sigma) was chosen to activate the ATR DNA damage response pathway.
5983	1	Native Receptor Binding Assay	Inhibition of the binding of 125I-CGRP to receptors and functional antagonism of CGRP receptors were determined using native receptor binding assay.
5984	1	Radioligand Binding Assay	The screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out b the method of radioligand binding.
5985	1	Functional Assay	Functional assay using 5-HT6 receptors.
5985	2	Radioligand Binding Assay	Radioligand binding assay using 5-HT6 receptors.
5986	1	Enzyme Assay	Homogenous time-resolved fluorescence assay using Syk enzyme.
5989	1	Binding Assay	Competition binding assay used herein were developed validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336.
5990	1	Raf/Mek Amplified Luminescence Proximity Homogeneous Assay	Raf/Mek amplified luminescence proximity homogeneous assay.
5991	1	Inhibition Assay	In vitro inhibition assay using various enzyme.
5993	1	SUMO Cleavage Assay	Assays were performedby incubating SENPs with various concentrations of the inhibitor (0&#8722;60 &#956;M) at RT for 10 min in assay buffer (50 mM Tris, pH 7.4, 100mM NaCl, and 10 mM DTT). SENP concentrations were 32&#8722;50 nMwhen 50 &#956;g/mL of the final substrate YFP-SUMO-ECFP (YSE) fusionprotein was added. The mixture was incubated (37 &#176;C, 15 min),followed by SDS-PAGE and Coomassie staining for visualization.
5994	1	Enzyme Inhibition Assay	NS3/4A protease was preincubated with increasing concentration of drugs in protease reaction buffer for 1 hour.  Inhibition assays were performed in a reaction volume of 60&#956;L.  The reaction was initiated by the rapid injection of 5&#956;L of HCV NS3/4A protease substrate to a final concentration of 200nM.
5995	1	In vitro Hydroxylation Assays for PHD2 (AlphaScreen)	Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 &#956;L of reaction volume. Standard reaction mixturesconsisted of the compound (in 2% DMSO final concentration), enzymemix (0.001 &#956;M of PHD2, 10 &#956;M of Fe(II), 100 &#956;M of ascorbate) andpeptide mix (0.06 &#956;M of biotinylated C-terminal oxygen dependentdegradation domain (CODD) peptide, 2 &#956;M of 2OG) in 50 mMHEPES pH 7.5, 0.01% Tween-20 and 0.1% BSA buffer. Compoundswere preincubated with the enzyme mix for 15 min before beingincubated with peptide mix for 10 min at 22 &#176;C. Each reaction wasquenched with 5 &#956;L of 30 mM EDTA.
5996	1	Enzymatic Assay	Experiments todetermine IC50 values were conducted with compound concentrationsin the range between 10 nM and 450 &#956;M with a DMSO concentrationof 1% (v/v).
6010	2	AlphaScreen Assay	The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates.  Incubations were performed in white 384-well microtiter plates containing 20uL of a reaction mix (50mM Tris-HCl pH 7.4, 100mM NaCl, 1mM dithiotreitol, 0.01% (v/v) Tween-20, 0.1% (w/v) BSA, 1mM DMSO, 100nM His-CaPkh2 or 100nM His-PDK1, 50nM Biotin-PIFtide, and the indicated concentrations of unlabeled PIF-tide or small compounds) and 5uL of beads.  5uL of beads solution containing nickel chelate-coated acceptor beads and streptavidin-coated donor beads (20ug/mL final concentrations) was added to the reaction mix.  The reaction mix and the beads were incubated in the dark for 45 min at RT and the emission of light from the acceptor beads was measured in the EnVision reader (Perkin Elmer) and analyzed using the GraphPad Prism software.
6008	2	Enzyme Kinase Assay	The enzyme kinase assay was carried out using the Lanthascreen technology.
6255	2	Fluorescence-polarization Binding Assay	The binding affinity of the MDM2 inhibitors was determined using an optimized, sensitive and quantitative fluorescence polarization-based (FP-based) binding assay using a recombinant human His-tagged MDM2 protein (residues 1-118) and a fluorescently tagged p53-based peptide. The design of the fluorescence probe was based upon a previously reported high-affinity p53-based peptidomimetic compound (5-FAM-&#946;Ala-&#946;Ala-Phe-Met-Aib-pTyr-(6-Cl-LTrp)-Glu-Ac3c-Leu-Asn-NH2 (SEQ ID NO: 1)) (Garc&#237;a-Echeverr&#237;a et al., J. Med. Chem. 43: 3205-3208 (2000)). This tagged peptide is called PMDM6-F. MDM2 protein was serially double diluted in a Dynex 96-well, black, round-bottom plate, and the PMDM6-F peptide was added at 1 nM concentration. The assay was performed in the buffer: 100 mM potassium phosphate, pH 7.5; 100 &#956;g/mL bovine gamma globulin; 0.02% sodium azide, 0.01% Triton X-100) and the polarization values were measured after 3 h of incubation using an ULTRA READER (Tecan U.S. Inc).
7055	1	In Vitro Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art.
7056	1	Binding Assay	In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express each of the three human transporters. cDNAs containing the complete coding regions of each transporter were amplified by PCR from human brain libraries. The cDNAs contained in pCRII vectors were sequenced to verify their identity and then subcloned into an Epstein-Barr virus based expression plasmid (Shen et al., Gene 156:235-239 (1995), which is hereby incorporated by reference in its entirety). This plasmid containing the coding sequence for one of the human transporters was transfected into HEK93E cells. Successful transfection was verified by the ability of known reuptake blockers to inhibit the uptake of tritiated NE, DA or 5HT.For binding, cells were homogenized, centrifuged, and then resuspended in incubation buffer (5 mM Tris, 120 mM NaCl, 5 mM KCl, pH 7.4). Then, the appropriate radioligand was added.
7059	1	In Vitro Assay	Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration.
6679	1	Homogeneous Time Resolved Fluorescence Assay	FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode. 
7065	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 uL) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2x3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 uL) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 uL) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control, A cocktail (40 uL) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25 C., then a cocktail (10 uL) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 uL).
7079	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate); a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter.
7080	1	HTS Assay	The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a GST fusion expressed in baculoviral system was purchased from BPS Bioscience (San Diego, Calif.). The GSK3beta peptide substrate was from American Peptide (Sunnyvale, Calif.; Cat 311153). 1 L/well of CABPE (22.5 nM GSK3beta , 8 uM peptide in AB buffer (12.5 mM DTT, 0.25 mg/mL BSA, 0.5 unit/mL Heparin)), 0.5 L/well of 125 uM of ATP, and 1 L/well of positive control 50 uM of GW8510 (positive control) or AB (DMSO only neutral control) in respective wells according to plate design using BioRAPTR (Beckman, Brea, Calif.). Reactions were incubated at room temperature for 60 minutes. 2.5 uL/well of ADP-Glo (Promega, V9103) was added with BioRAPTR, and incubated at room temperature for 40 minutes followed by addition of 5 uL/well of ADP-Glo detection reagent (Promega, V9103) with Combi nL (Thermo, Waltham, Mass.).
7096	1	Binding Assay	Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO4.2H2O (9.6 mM), HEPES (25 mM), sucrose (280 mM), glucose (5 mM), CaCl2 (0.5 mM), and probenecid (0.1425 g in 3 mL 1N NaOH was added for 500 mL solution)] in 384-well plates.293-rat P2X7 stable cells were incubated in HHPB (pH 7.4) [consisting of Hank&#39;s BSS (1×); HEPES (pH 7.4) (20 mM) (Sigma); probenecid (0.710g/5 mL 1N NaOH) (Sigma); and BSA (0.05%) (Roche) which was added after the pH had been adjusted] in 384-well plates. Fluo-4 NW dye mix (Molecular Probes, Inc., Eugene, Oreg., USA) was prepared in buffer (see manufacturer&#39;s instructions). Cell plates were removed from the 37° C. incubator, the media discarded and then 30 &#956;L of dye was added to each well. Plates were placed in the 37° C., non-CO2 incubator for 30 minutes and then room temperature for 30 minutes.
5999	1	Radioligand Binding Assay	Compounds were characterized in an in vitro binding assay to determine their Ki or ability to antagonized binding of a peptide agonist to the human melanin concentration hormone receptor (MCHR1).
6000	1	Enzyme Inhibition Assay	Compounds were tested for their ability to inhibit carbonic anhydrase isozymes II and IX in vito.
6000	2	Enzyme Inhibition Assay	Compounds were tested for their ability to inhibit separase enzyme.
6000	3	Enzyme Inhibition Assay	Compounds were tested for their ability to inhibit DPPIV enzyme.
6001	1	Activity Assay	The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.
6001	2	Binding Assay	The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.).  This assay evaluates the ability of the test compound to compete with a fluorescently-labeled tracer molecule to bind in the ATP pocket of a kinase. 
6002	1	Biological Assay	All assays were performed in room temperature with purified recombinantly expressed human SSAO.  The enzyme activity was measured with benzylamine as substrate and utilized the production of hydrogen peroxide for detection.
6003	1	Competitive Binding Assay	Activity test of serotonin 5-HT6 receptor antagonists of the general formulas 1, 2 in the setting of competitive binding to serotonin 5-HT6 receptors.
6004	1	Pharmacological Assay	Gamma-secretase activity was determined as described by Zhang et al. (Biochemistry, 40(16), 5049-5055, 2001).
6005	1	ATX Inhibitory Selectivity Test	Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 and 7 were calculated using pNPPC.  The final concentration of these two absorption-based substrates was 100uM.  Assay buffer (ENPP buffer, 37uL) and 500uM PNP-TMP or pNPPC (20uL) were dispensed into the 96-well microplate.  30uM samples (33uL) were added, followed by ENPP1-7 solution (10uL) into each well.  Each well contained a total of 100uL.  The plate was incubated for 2 hours and aborbance (405nm) was measured with a microplate reader.
6008	1	EC50 Test	Tet inducible human DDR1 over-expressing U2OS was pre-treated by media containing each of the compound for 1 hour and treated by changing the media to the EC50 test media containing 10ug/ml collagen and compound for 2 hours.  Cell were washed with cold PBS three times and lysed with the lysis buffer. The activation of DDR1 was quantified by density using ImageJ to determine EC50 following Western blot using anti-activated human DDR1b(Y513).
6009	1	Fluorescence quenching titrations	The ligand solutions (10uM siderophore, TBS with 5% (v/v) DMSO, pH 7.4)  were prepared from 4mM stock solution in DMSO.  The protein solution was prepared as previously reported.  Small amounts of ligand solution were mixed with the protein solution and equilibrated for at least 4 min before fluorescence measurement.  The data was fit to a one-to-one binding model with two parameters, Kd and fluorescence response, using the program DYNAFIT.
6010	1	Protein Kinase Activity  Assay	A 20ul mix containing 50mM Tris pH 7.5, 0.05mg/ml BSA, 0.1% &#946;-mercaptoethanol, 10mM MgCl2, 100&#956;M [&#947;-P32]ATP (5-50cpm/pmol), 0.003% Brij, 150-500ng PDK1 or CaPkh2, and T308tide (from 0.1 to 1mM) was pre-incubated at room temperature (22&#191;C) for 15 minutes.  The kinase reaction was initiated by the addition of the ATP-Mg mixture, followed by the addition of 5&#956;l phosphoric acid (final concentration 0.01%) to stop the reaction.  The PDK1 activity assay was performed in a 96 well format and 4&#956;l aliquots spotted on p81 phosphocellulose papers (Whatmann) using ep motion 5070 (Eppendorf), washed in 0.01% phosphoric acid, dried, and then exposed and analyzed using PhophoImager technology (FLA-9000 Starion, Fujifilm).  The specific activity of CaPkh2 and PDK1 was estimated using 100&#956;M T308tide.
6011	1	IC50 Activity Assays	The assays were performed at 25 degrees Celsius in a 100mM sodium phosphate buffer (pH 7.0), with the AR protein amount reaching the Vmax and 0.2mM NADPH.  The final reaction volume was 500uL per reaction.  All compounds were dissolved in dimethyl sulphoxide, and the corresponding solution was added to the cell and incubated for 5 min at 25 degrees Celsius prior to the addition of the substrate.  The reaction was initiated by the addition of 1mM glyceraldehyde, and the decrease in optical density at 340nm was monitored for 3 min at 25 degrees Celsius in a UV-vis spectrophotometer.
6012	1	HDAC Activity Assay	A series of dilutions of the compounds were prepared with 10% DMSO in HDAC assay buffer, and 5uL of the dilution was added to a 50uL reaction so that the final concentration of DMSO is 1% in all of the reactions.  The enzymatic reactions were conducted in duplicate at 37 degrees Celsius for 30 min in a 50uL mixture containing HDAC assay buffer, 5ug BSA, HDAC substrate, HDAC enzyme (human recombinant HDAC1, HDAC6, or HDAC8) and various concentrations of each compound.  After enzymatic reactions, 50uL 2X HDAC Developer was added to each well and the plate was incubated at RT for an additional 15 min.  Fluorescence intensity of measured at an excitation of 360nm and an emission of 460nm using a Biotek Synergy microplate reader.
6013	1	PDI Inhibition Assay	The assay was carried out in 384-well plates according to literature procedures [46].  Each well contained 100mM sodium phosphate and 0.2mM EDTA pH 7.0.  10ng PDI was pre-incubated with various concentration of probes (4% DMSO) in 20uL buffer for 30 min at 37 degrees Celsius, followed by the addition of insulin (0.16mM final concentration) and DDT (1mM final concentration).  The enzyme reaction was monitored at 650nm on a Bioteck microplate reader.
6014	1	Kinome Profiling	HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified protein kinases using previously described methods.
6015	2	DNA Pol &#946; PEX Assay	Pol &#946; reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM purified recombinant pol &#946;, 150nM radioactive-labeled primer F20H, 225nM template F33A, 0.1mg/mL BSA, 1uL compound solution with various concentrations in DMSO (1uL DMSO for the solvent control).  5uL dNTP (15uM final) was added to initiate the reactions and positive controls.  Reactions and controls were incubated for 30 min at 37 degrees Celsius and subsequently quenched using 45uL PAGE loading solution (80% (v/v) formamide, 20mM EDTA, 0.05% (w/v) bromophenol blue, 0.05% (w/v) xylene cyanol) per well.  The reaction mixture was denatured for 5 min at 95 degrees Celsius and analyzed by 12% PAGE containing 8M urea.
6015	1	DNA Pol &#955; PEX Assay	Pol &#955; reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.5, 1.5mM MgCl2, 5% (v/v) glycerol, 1mM DTT, 250nM purified recombinant pol &#955;, 150nM radioactive-labled primer F20H, 225nM template F33A, 0.1mg/mL BSA, 1uL compound solution with variable concentrations in DMSO (1uL DMSO for the solvent control). 5uL dNTP solution (15uM final) was added to initiate the reactions and positive controls.  Reactions and controls were incubated for 30 min at 37 degrees Celsius and subsequently quenched using 45uL PAGE loading solution (80% (v/v) formamide, 20mM EDTA, 0.05% (w/v) bromophenol blue, 0.05% (w/v) xylene cyanol) per well.  The reaction mixture was denatured for 5 min at 95 degrees Celsius and analyzed by 12% PAGE containing 8M urea.
6016	1	IC50 Assay	An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) supplemented with 0.01% Triton-100) at room temperature for 10 min.  Nitrocefin (100uM) was added to initiate the assay.  The IC50 values were determined using the software package Graph Prism 5.01.
6017	1	Inhibition Assay	HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method.  Protease substrate, Arg-Glu-(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg, was labeled with the energy transfer donor (EDANS) and acceptor (DABCYL) dyes at its two ends to perform FRET.  Fluorescence measurements were carried out on an EnVision plate reader (PerkinElmer).
7098	1	Enzyme Assay	All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of the compound are incubated in TME buffer with 0.1% BSA (final volume of 250 uL) for 15 minutes at 37 C. Samples (100 uL) are taken at the start of the assay and after 15 minutes, diluted 1:5 with acetonitrile and centrifuged (20,000 RCF, five minutes, room temperature) to precipitate the proteins. The resulting supernatant is injected onto the HPLC. Calculations for determining the percent compound remaining are described in the following equation:% R=Peak Area (T15)/Peak Area (T0)To determine whether or not the compounds are good substrates for FAAH, 25 nmoles of the compound were incubated with 75 ug enzyme preparation in TME buffer with 0.1% BSA (final volume 250 uL). The reaction mixture is treated in the same manner as described above.
6017	2	Drug Susceptibility Assay	Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 from clades A, B, and C, and two multi-drug-resistant HIV-1 variants.
7107	3	In Vitro Enzyme Assay	The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-&#946;-naphthylamide while in the presence of compound 7. 20 ul of 1.3 mM DppIV was pipetted into twenty-four micro centrifuge tubes containing various concentrations of compound 7 in a total volume of 100 uL. The samples were thoroughly vortexed and centrifuged at 5,000 RPM for 30 seconds. The micro centrifuge tube were then placed in a 37° C. water bath and incubated for 30 minutes. After incubation, 0.625 uM of substrate was added and the volume was adjusted to 130 uM with incubation buffer. Samples were thoroughly mixed and centrifuged at 5,000 RPM for 30 seconds before placed in a 37° C. water bath for an additional 30 minutes. The reaction was terminated by adding 1 ml of 100 mM Citrate buffer pH 4.0 and vortexing thoroughly for 1 minute. The excitation and emission spectrum of each sample was measured at 340 nm and 425 nm respectfully on a Fluoromax-II Fluorometer.
7108	2	Inhibition Assay	In addition, the dipeptidyl peptidase-IV (DPPIV) assay herein was applied to investigate the DPPIV inhibitory activity of the prepared compounds as described above. The method of the DPPIV assay was described in Lin et al., 1998. Inhibition of dipeptidyl peptidase IV by fluoroolefin-containing N-peptidyl-O-hydroxylamine peptidomimetics. Proc. Natl. Acad. Sci. USA Vol. 95, pp. 14020-14024.
7101	1	Enzymatic Assay	The SCD1 enzymatic assay was done in a volume of 50 &#956;L using 10 &#956;g of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reaction buffer contains 0.1 M K-Phosphate Buffer, 10 mM ATP, 6 mM MgCl2. 1 mM CoA, 1 mM &#946;-NADH, 1.6 mM L-glutathione, 20 &#956;M Stearoyl-CoA). Stearoyl-[9,10-3H]-CoA (ARC-0390, 1 mCi/mL, 60 Ci/mmol,) was added at a final concentration of 2 &#956;Ci/mL. Test compound was then added to the reaction mixture at the selected concentration. After incubation at room temperature for 2 hours, 5 &#956;L 1 N HCl was added to stop the reaction, followed by addition of 25 &#956;L of 10% charcoal. The reaction mixture was then transferred to 96-well Multiscreen plate (Millipore, Cat#MSFCN6B50). [3H2O] was collected into Opti-plate (PE, Cat#6005290) by centrifuge, at 1,000 rpm for 2 minutes. 150 &#956;L Microscint 40 (PE, cat #6013641) was then added to each well and counted on Topcount for [3H] counts per minute (cpm). 
6019	3	PIM-3 Enzyme Assay	The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate.  Assay mixtures contained 30 uM [gamma-33P] ATP (20 uCi/mL), 3.75 uM PIM2tide and 0.5 nM recombinant rat PIM-3 in place of PIM-1.
6020	1	In Vitro Kinase Assay	In vitro kinase assay.
6021	1	Binding Assay	The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity assay (SPA) format.
6022	1	Biochemical Assay	Biochemical assay using PI3K delta.
6023	1	In Vitro Assay	The inhibitory activity of the compounds of this invention against the SGLT-1 or SGLT-2 transporters.
6025	1	Radioligand Binding Assay	Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.
6027	1	Enzyme Activity Assay	The potency of compounds against PRCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PRCP inhibitor test compounds.
6028	1	Inhibition Assay	In vitro HNE inhibition assay.  The potency of the compounds of the invention is ascertained in an in vitro inhibition assay.  The HNE-mediated amidolytic cleave of a suitable peptide substrate leads in this connection to an increase in the fluorescent light.
6029	1	Kinase Assay	In vitro kinase assay.
6030	1	Inhibition Assay	Inhibition assay using matriptase enzyme
6031	1	Inhibition Assay	Inhibition assay using MEK kinase.
6032	1	In Vitro Inhibition Assay	Inhibition assay using JNK kinase.
6033	1	Binding Assay	[35S]TBPS binding assay.
6034	1	Recombinant Receptor Binding Assay	Recombinant receptor binding assay using human CL receptor/RAMP1 (CGRP).
6035	1	Biological Assay	Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.
6037	2	Fragment Screening	Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out cooperative binding. Ligands or fragments, in dimethyl sulfoxide, were soaked into crystals (final concentration 10mM and 10% dimethyl sulfoxide) for 2 hours before flash freezing in liquid nitrogen.
6038	1	In vitro Binding Affinity Assay	The assay was performed in accordance with the method described by Owens et al. with slight modifications.  Rat cerebral cortex was homogenized in 30 volumes of ice-cold 50mM Tris-HCl containing 150mM NaCl and 5mM KCl, pH 7.7, at 25&#176;C and centrifuged at 20,000 x g for 20 min.  Pellet was resuspended in 30 volumes of buffer and centrifuged again for 2 more times.  The mixture of 240uL of the tissue suspension, 30uL of 1&#181;M imipramine, 30uL of 1nM [3H]-citalopram and 100&#181;L of the analyzed compound (10^-10 to 10^-4M) were incubated at 22&#176;C for 1 h.  Incubations were terminated by vacuum filtration and washed twice with 100&#181;L of ice-cold buffer.  The radioactivity was measured using a WALLAC 1409 DSA liquid scintillation counter.
6039	1	In Vitro Inhibition Assay	In vitro tests for determination of the activity and selectivity of HIF prolyl 4-hydroxylase inhibitors.  Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF is hydroxylated on a conserved prolyl radical. It is the basis for the biochemical determination of HIF prolyl hydroxylase activity. The test is carried out as described [Oehme F., Jonghaus W., Narouz-Ott L., Huetter J., Flamme I., Anal. Biochem. 330 (1), 74-80 (2004)].
6040	1	In Vitro Inhibition Assay	The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable peptide substrate leads in this connection to an increase in the fluorescent light. The signal intensity of the fluorescent light is directly proportional to the enzyme activity. The effective concentration of a test compound at which half the enzyme is inhibited (50% signal intensity of the fluorescent light) is indicated as IC50.
6041	1	Biochemical Assays	Compounds of the invention were tested for inhibitory activity and potency against PI3K&#948;.
6042	1	Binding Assay	The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). 
6045	1	In vitro HDACs Inhibition Fluorescence Assay	Bos-Lys (acetyl)-4-amino-7-methylcoumarin substrate was used in inhibition assays against class I (HDAC1, HDAC2, HDAC3) and class IIb (HDAC6), while Boc-Lys (trifluoroacetyl)-4-amino-7-methylcoumarin substrate for class IIa (MDA-MB-231 cell lysate).  10 &#181;L of enzyme solution was mixed with various concentrations of tested compounds (50 &#181;L).  Five minutes later, 40 &#181;L of fluorogenic substrate was added. The mixture was incubated at 37&#176;C for 30 minutes, stopped by addition of 100 &#181;L of developer containing trypsin and TSA, and then incubated again at 37&#176;C for 20 min.  Fluorescence intensity was measure using a microplate reader at excitation and emission wavelengths of 390 and 460 nm, respectively.
6046	1	Radiological Binding Assay	For A1 adenosine receptors, 40 mg of protein were incubated for 60 min at 25&#176;C with [3H]DPCPX 0.5 nM (Kd = 0.4 nM) and increasing concentrations of the compounds, in a final volume of 0.4 mL of Tris-HCl buffer.  Binding reaction was terminated by dilution with ice-cold 50 mM Tris-HCl buffer, pH 7.4.For A2A and A3 adenosine receptors, 40 mg of protein were incubated with [3H]ZM241385 6 nM (Kd = 4 nM) in the experiments involving A2A and with [3H]NECA 15 nM (Kd = 150 nM) involving A3 and the compounds to be assayed, at fixed concentration (10 &#181;M) or at increasing concentrations of the compounds in duplicate, in a final volume of 0.4 mL of Tris-HCl buffer for 120 min at 25&#176;C. Non-specific binding was measured in the presence of 100 &#181;M NECA in the case of A2A and 100 &#181;M R-PIA in the case of A3 binding assay.  Bound radioactivity of all samples was measured in a liquid scintillation counter (1600 TR Packard) after the addition of 4 mL of scintillation liquid (Emulsifier-Safe; Hewlett-Packa
6047	1	Spectrophotometric Assay	All compounds were dissolved in DMSO (final DMSO concentration in test solution was 2.0%).  Phosphate buffer, pH 6.8, was use to dilute the DMSO stock solution of test compounds.  Thirty units of mushroom tyrosinase (0.5 mg/mL) were first pre-incubated with the compounds, in 50 mM phosphate buffer (pH 6.8), for 10 min at 25&#176;C, followed by addition of L-DOPA (0.5 mM).  The enzyme reaction was monitored by measuring the change in absorbance at 475 nm of formation of the DOPA chrome for 1 min.  The measurement was performed in triplicate for each concentration and averaged before further calculation.
6048	1	In Vitro Kinase Assay	CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).
6049	1	Radioligand Binding Assay	The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. 
6050	1	Inhibition Assay (PDGFR)	Compounds may also be assayed as inhibitors of PDGFR in a manner substantially similar to the method described in Roberts, et al., &#147;Antiangiogenic and Antitumor Activity of a Selective PDGFR Tyrosine Kinase Inhibitor, CP-673,451&#148; Cancer Research 65, 957-966, Feb. 1, 2005. 
6050	2	Inhibition Assay (c-Kit)	Compounds may also be assayed as inhibitors of CKit in a manner substantially similar to the method described by Upstate (http://www.upstate.com/img/pdf/KP_Protocol&#151;121506.pdf). 
6052	1	Kinase Assay	FAK kinase assay using ulight-LANCE assay purchased from PerkinElmer (catalog # TRF0100-D).
6053	1	Binding Assay	The action of the compound of the present invention to inhibit binding of RBP4 and retinol and TTR was evaluated using the Retinol-RBP4-TTR ELISA (human-type ELISA) system.
6054	1	Enzyme Assay	Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).
6055	1	In vitro DPP IV enzyme inhibition assay	The enzyme assay was performed using DPP IV drug discovery kit (BML-AK 499; Enzo Life Sciences, Plymouth Meeting, PA, USA).  The activity of test compounds was assayed using human recombinant DPP IV enzyme, chromogenic substrate (H-Gly-Pro-AMC, Km 114 &#181;M), DPP IV inhibitor (P32/98), assay buffer and calibration standard as provided in the kit.  Following the manufacturer&#39;s guidelines, the assay was performed using 96-well flat-bottomed microtitre plate followed by addition of assay buffer, DPP IV enzyme and chromogenic substrate (HGly-Pro-pNA).  Test compounds were dissolved in DMSO at different concentrations of 25, 50, 100, 200 &#181;g/mL, and 20 &#181;L were added to each well after further dilutions.  The plate was incubated at 37&#176;C for 10 min and read continuously at A-405 nm.
6056	1	XO inhibitory activity	Bovine milk XO activity was assayed spectrophotometrically by measuring the uric acid formation at 293 nm using a UV-visible spectrophotometer at 25&#176;C.  The reaction mixture contained 50 mM potassium phosphate buffer (pH 7.6), 75 &#181;M xanthine, and 0.08 units of XO.  Inhibition of XO activity of compounds was measured by following the decrease in the uric acid formation at 293 nm at 25&#176;C.  The enzyme was pre-incubated for 5 min, with test compound, dissolved in DMSO (1% v/v).  The reaction was initiated by the addition of xanthine.  Allopurinol (1 mM) was used as a positive control.
6057	1	IC50 Assay	All reactions were carried in a volume of 2 mL stirred at 23&#176;C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Units of 15-hLOX2.  Reactions with 12-hLOX were carried out in 25mM HEPES (pH 8.0), 0.01% Triton X-100, and 10 &#181;M arachidonic acid.  Reactions with 15-hLOX-1 and 15-hLOX-2 were carried out in 25 mM HEPES (pH 7.5), 0.01% Triton X-100, and 10 &#181;M arachidonic acid and 30 &#181;M arachidonic acid, respectively.  IC50 values were determined by the enzymatic rate at various inhibitor concentrations and plotted against inhibitor concentration, followed by a hyperbolic saturation curve.
6058	1	PTP activity assay	The enzyme activity was measured using p-nitrophenyl phosphate (pNPP) as substrate in a 96-well plate and by detecting the absorbance at 405 nm for the amount of produced p-nitrophenol.  Purified human recombinant PTP1B or TCPTP (0.05 &#181;g) in 50 &#181;L buffer containing 50 mM citrate (pH 6.0), 0.1 M NaCl, 1 mM EDTA, and 1 mM DTT and test compounds were added to each well.  Each mixture was pre-incubated for 15 min at room temperature, followed by the addition of 50 &#181;L of reaction buffer containing 2 mM pNPP and incubated at 37&#176;C for 30 min.
6059	1	ATP Depletion Assay	The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. 
6060	1	Inhibition Assay	All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB assay.
6061	1	Kinase Assay	To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates using recombinant CDK/cyclins generated at Cyclacel. Ltd Dundee, UK.
6062	1	FLIPR Ca2+ Flux Assay	Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).
6064	1	Tyrosine Kinase Assay	Kinase assay using IGF1-receptor.
6065	1	ITC experiments	ITC experiments were carried out using iTC200 (Microcal LLC, Northampton, MA, USA) with each of the compounds 1-6 and Mcl-1 protein.  The heat of reaction was obtained by making 16 injections (2.4 &#181;L each) of the ligand (final concentration in the syringe of 200 &#181;M in 50 mM Tris, 150 mM NaCl, and 5% DMSO, pH 8.0) into the reaction cell that contained Mcl-1 in the same buffer (final protein concentration of 20 &#181;M).  The experiments were done at 25&#176;C and at a stirring speed of 500 rpm. For the control experiment, the sample cell was filled with the assay buffer and the compound solution was added, respectively.
6066	1	Enzyme Assay	The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
6067	1	Enzyme Assay	Enzyme assay using dipeptidyl peptidase-IV.
6068	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay	MARK3 activity was assayed in vitro using a Cdc25C biotinylated peptide substrate (Cell Signalling Technologies). The phosphopeptide product was quantitated using a Homogenous Time-Resolved Fluorescence (HTRF) assay system (Park et al., 1999, Anal. Biochem. 269:94-104).
6069	1	Inhibition Assay	PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger adenosine 5&#8242;,8&#8242;-cyclic phosphate (cAMP) to the non-cyclic adenosine 5&#8242;-monophosphate (AMP).
6070	1	In Vitro Kinase Enzyme Assay	In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.
6071	1	Binding Assay	Binding assay using Bradykinin-1 receptor.
6071	2	Calcium Mobilization Assay	Calcium mobilization assay using Bradykinin-1 receptor.
6073	1	Binding Assay	Binding inhibition assay using human GPR54.
6075	1	Biological Assay Example 1	The inhibition of a microsomal preparation of 11&#946;-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format. Assay Drug Dev Technol 3 (2005) 377-384).
6075	2	Biological Assay Example 4	The inhibition assay using 11&#946;-HSD1.
6075	3	Biological Assay Example 6	The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Erythromycin by the test compound was assayed at 37&#176; C with human recombinant cytochrome P450 3A4. 
6075	4	Biological Assay Example 7	Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation of [O-methyl-14C]-Naproxen by the test compound was assayed at 37&#176; C. with human recombinant cytochrome P450 2C9. 
6075	5	Biological Assay Example 8	Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Diazepam by the test compound was assayed at 37 ° C. with human recombinant cytochrome P450 2C19.
6075	6	Biological Assay Example 9	The inhibition of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).
6077	1	Biological Assay Example 1	The inhibition of a microsomal preparation of 11&#946;-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format. Assay Drug Dev Technol 3 (2005) 377-384).
6077	2	Biological Assay Example 4	Inhibition assay using 11&#946;-HSD1 in the presence of 50% human plasma. 
6077	3	Biological Assay Example 6	The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Erythromycin by the test compound was assayed at 37&#176; C with human recombinant cytochrome P450 3A4.
6077	4	Biological Assay Example 7	Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation of [O-methyl-14C]-Naproxen by the test compound was assayed at 37&#176; C. with human recombinant cytochrome P450 2C9.
6077	6	Biological Assay Example 8	Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation of [N-methyl-14C]-Diazepam by the test compound was assayed at 37&#176; C. with human recombinant cytochrome P450 2C19. 
6078	1	IC50 Assay	Inhibitors were made in TRIS buffer (50mM Tris pH 7.4 containing 1% Triton X-100).  Working solutions of purified GCPII (50ug/mL) were diluted in TRIS buffer to provide from 15% to 20% conversion of substrate to product in the absence of inhibitor.  The incubation mixture (final volume 250&#956;L) contained either 25&#956;L of an inhibitor solution or 25&#956;L TRIS buffer to 175&#956; TRIS buffer in a test tube, followed by the addition of PABGgG (25&#956;L, 100mM).  The enzymatic reaction was initiated by the addition of 25&#956;L of the GCPII working solution and allowed to proceed for 15min with constant shaking at 37&#176;C.  The reaction was quenched by the addition of 25&#956;L methanolic TFA (2% trifluoroacetic acid by volume in methanol) followed by vortexing.  The quenched mixture was immediately buffered by the addition of 25&#956;L K2HPO4 (0.1M), vortexed, and centrifuged.
6079	1	Biochemical Assay	Compounds were prepared in DMSO at 10mmol/L and serially diluted in a 96-well plate as the source plate.  The intermediate plate consists of 4&#181;L from the source plate mixed with 96&#181;L of 1&#215; kinase buffer (50mmol/L HEPES, pH 7.5; 10mmol/L MgCl2; 1mmol/L EGTA; 0.01% Brij-35).  Of 2.5&#181;L was transferred to a 384-well assay plate in duplicates.  To the assay plate, 5&#181;L of BRAF 7nmol/L or BRAF V600E 0.7nmol/L, 2.5&#181;L of substrate solution containing Fluorescein-MAP2K1 0.8&#181;mol/L and ATP (for BRAF 2&#181;mol/L, for BRAF V600E 6&#181;mol/L) were added and the assay plate was incubated with the compounds for 1 h at room temperature.  The reaction was stopped with the addition of 10&#181;L of detection solution (antibody 4nmol/L and EDTA 20mmol/L in antibody dilution buffer) to each well of the assay plate.
6080	1	HIV-1 Integrase Assay	HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay.
6081	1	Enzyme Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS&#151;for assay details, see reference (Greis et al., 2006). 
6081	2	ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.).
6082	1	Inhibition Spectra Assay 	Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is converted by the human KAT II (hKAT II) enzyme into KYNA.
6083	1	Enzymatic Activity Assay	A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measurements.
6085	1	Kinase Inhibition Assay	Inhibition of ROCK2 activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073). ROCK2 kinase (UpstateChemicon #14-451) and Flourescein tagged substrate peptide Fl-AKRRRLSSLRA (Molecular Devices product number R7184).
6086	1	Xanthine Oxidase Activity	Inhibition of xanthine oxidase (XO) by each isolated phenolics was measured by following the decrease in the uric acid formation at 293nm at 25&#176;C.  The reaction mixture contained 50mM potassium phosphate buffer (pH 7.6), 75&#181;M xanthine, and 0.08 units of xanthine oxidase.  The enzyme was preincubated with test compound, dissolved in DMSO (1% v/v), for 5 min and the reaction was initiated by the addition of xanthine.  
6086	2	Alpha-Glucosidase Assay	The assay was performed using isolated phenolics from maize, and inhibition was determined according to previously described method.
6087	1	Inhibition Assay	Rabbit muscle glycogen phosphorylase a (RMGPa) activity was measured by the release of phosphate from glucose-1-phosphate at 655 nm. Each compound was dissolved in DMSO and diluted at different concentrations.  RMGPa was added to 100 &#181;L of buffer (50 mM Hepes pH 7.2, 100 mM KCl, 2.5 mM MgCl2, 0.5 mM glucose-1-phosphate, 1 mg/mL glycogen, and compound in 96-well microplates.  Reaction was initiated by the addition of 150 &#181;L of 1 M HCl containing 10 mg/mL ammonium molybdate and 0.38 mg/mL malachite green and run for 25 min at 22 C.  
6088	1	Z-LYTE biochemical assay	To the assay kit, 2.5 &#181;L of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room temperature followed by the addition of 5 &#181;L development agent.  The reaction was stopped by the addition of 5 &#181;L stop reagent.  The fluorescence intensity at 445 and 520 nm were monitored and the standard inhibitory reference compound was Staurosporine.
6089	1	MAO Assay	The reaction mixture (final volume 200 &#181;L) contained 5 &#181;g/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (substrate for MAO-A) or 1 mM benzyl-amine (substrate for MAO-B), 1 U/mL HRP, and 200 &#181;M AR was incubated, in the presence or absence of the inhibitors, at 37 &#176;C for 45 min.  The enzyme plus inhibitors were incubated at 37 &#176;C for 20 min followed by the addition of the substrates, HRP and AR.  The inhibitors were dissolved in 100% DMSO, and equivalent concentrations of DMSO alone (1-2%) were used as controls.  Clorgyline (MAO-A inhibitor) or pargyline (MAO-B inhibitor) at 5 &#181;M concentration was used as positive control for inhibition.
6090	1	CM Assay	The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40&#181;M, 20 &#181;M, 10 &#181;M, 5 &#181;M, 1 &#181;M and 0.5 &#181;M ), 20&#181;M chorismic acid in 50mM Tris-HCl, 0.5mM EDTA, 0.1mg/ml BSA, 10mM &#946;-mercaptoethanol (pH-7.5).  The assay mixture was incubated at 37&#176;C for 5 min and the reaction was terminated by the addition of 40&#181;L of 1N HCl and further incubation at 37&#176;C for 1 to 5 min.  Phenyl pyruvate formed at the end of reaction is converted to chromophoric base with the addition of 80&#181;L 2.5N NaOH.  The absorbance of each sample was read at 320nm.  Positive control contained the assay mixture with carvacrol(40&#181;M, 20 &#181;M, 10 &#181;M, 5 &#181;M, 1 &#181;M and 0.5 &#181;M ).
6091	1	Scintillation Proximity Assay	The inhibition of a microsomal preparation of 11&#946;-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
6091	2	Inhibition Assay	The inhibition of a microsomal preparation of 11&#946;-HSD1 in the presence of 50% human plasma by compounds of the invention was measured.
6092	9	Inhibition Assay	The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (St&#252;rzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)). 
6092	1	Inhibition Assay	Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at 2.2 nM and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).
6092	2	Inhibition Assay	 Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbiochem at 29 nM and Val-Ser-Arg-pNA (S2314) at 8 mM, 6 mM, and 4 mM as substrate; results are reported as Ki values (nanomolar).
6092	3	Inhibition Assay	Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem at 100 nM and Val-Ser-Arg-pNA (S2314) at 16 mM, 12 mM, and 8 mM as substrate; results are reported as Ki values (nanomolar).
6092	4	Inhibition Assay	Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 NIH U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).
6092	5	Inhibition Assay	Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5 mIU/mL and MeOCO-d-Cha-Gly-Arg-pNA (Pefachrome FXa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).
6092	6	Inhibition Assay	Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at 96 ng/mL and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 5 mM, 4 mM, and 2 mM as substrate; results are reported as Ki values (nanomolar).
6092	7	Inhibition Assay	Inhibition of human alpha-FXIIa was determined by the method described in [0092]-[0098] using activated human alpha-Factor XII (activated Hageman Factor) from Enzyme Research Laboratories at 50 mPEU/mL and CHA-Gly-Arg-pNA at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).
6093	1	Biological Assay	The compounds of the instant invention described in the Examples were screened for their ability to inhibit c-Met kinase activity using a standard c-Met kinase screening services (J. Biomol. Screen. 2006, 11, 48-56) provided by Reaction Biology Corporation (One Great Valley Parkway, Suite 8, Malvern, Pa. 19355, USA).
6095	1	Biochemical Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.
6096	1	GCase IC50 Assay	The assays were performed at 37&#176;C with 4-MU-&#946;-&#7429;-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate (200mM); pH 5.2 or 7.0) containing sodium taurocholate (0.25% w/v) and Triton X-100 (0.10% v/v). Enzyme solution (12.5&#181;L, 0.1mg/mL) and inhibitor (7.5&#181;L, various concnetrations) were mixed and incubated at 37&#176;C for 30 min, followed by the addition of substrates (30&#181;L, 4.0mM, in Mcllvaine buffer, pH 5.2 or 7.0) and further incubated for 10 min. The assay was terminated by adding glycine/NaOH buffer (150&#181;L, 100mM, pH 10.6). The amount of released 4-metylumbelliferone (4-MU) was determined by fluorimetry (excitation 355nm, emmision 460nm).
6096	3	GCase Ki Assay	To determine inhibition constant (Ki), substrate (7.5&#181;L, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5&#181;L, 0.1mg/mL) with or without inhibitor (final volume 50&#181;L) were incubated at 37&#176;C for 10 min.
6096	2	Inhibition Assay Against Commercial Glycosidases	In a 96-well plates, 10&#181;L of commercial enzyme solutions without (control) or with 20&#181;L of inhibitor were incubated at 37&#176;C for 5 min.  After addition of 20&#181;L of substrate solution, incubations were prolonged for different time periods: 10 min for &#946;-glucosidase (almond), 5 min for &#945;-glucosidase (saccharomyces cerevisiae) and 8 min for &#946;-galactosidase (bovine liver) and &#945;-galactosidase (green coffee beans) and stopped by addition of 150&#181;L of glycine/NaOH buffer (100mM, pH 10.6). The amount of 4-MU formed was determined at 355nm (excitation) and 460nm (emission). For &#946;-glucosidase (almond), the activity was determined with 4-MU-&#946;-D-Glu (1mM) in sodium acetate buffer (100 mM, pH 5.2). For &#945;-glucosidase (saccharomyces cerevisiae), the activity was determined with4-methylumbelliferyl-&#945;-D-glucopyranoside (4-MU-&#945;-D-Glu, 1 mM) in sodium phosphate buffer (100 mM, pH 7.2). For &#946;-galactosidase (bovine liver), the activity was determined with 4-me
6097	1	DXP Synthase Inhibition Assay	Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), &#7429;-GAP (30&#181;M), pyruvate (80&#181;M), and various concentrations of nitroso inhibitor were preincubated at 37&#176;C for 5 min.  Enzyme reactions were initiated by addition of DXP synthase (0.1&#181;M).  Aliquots (150&#181;L) of the enzymatic mixture were removed between 0.5 and 3 min and quenched in ice-cold methanol (150&#181;L).  
6099	1	Binding Assay	Binding assay using 5-HT2A, Dopamine D2, SERT, &#945;A1, 5-HT2C and H1 Receptors.
6100	1	Scintillation Proximity Assay 	The binding assays are carried out using a Scintillation Proximity Assay (Amersham).
6101	1	Binding Assay	The affinities of selected Purine Derivatives for the adenosine A1 receptor were determined by measuring the displacement of specific [3H] 2-chloro-N6-cyclopentyl adenosine binding in CHO cells stably transfected with human recombinant A1 adenosine receptor expressed as Ki (nM).
6102	1	Radioligand Binding Assay	The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing rhesus (Macacca Mulatta) H3 receptor.  Additionally, the compounds of this invention have been demonstrated by GTP&#947;S radioligand binding assay to inhibit rhesus H3 constitutive functional activity in cell membranes.
6105	2	Thermal Shift Assay 	Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structure. The thermal stability of the ligand-Akt1 complex was assessed by subjecting the complex to a set temperature gradient and by comparison of the meltion temperature of the Akt1-ligand complex with the melting temperature of the protein alone.
6105	1	Alpha Screen Assay 	AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen&#153; (Amplified Luminescent Proximity Homogeneous Assay) technology.
6106	2	Enzyme Assay	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH.
6107	1	Binding Assay	Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
6108	1	Tyrosine Kinase Activity Assay	Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA).  The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence.
6109	3	Dissociation Kinetics Assay	A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, several aliquots of MLN8237 (1.25uM) were prepared (20uL each).  All mixtures were pre-incubated at 30 C for 15 min. Subsequently, 5uL of stock solution of complex was transferred into the first aliquote of MLN8237 and incubated further at 30 C; this was repeated at different time-points.  After 4 hours, all the resulting mixtures were transferred onto a microtiter plate and fluorescence anisotropy was measured.  The same experiment was repeated for complex consisting of Compound II and Aurora A.  In the case of complex of Compound III with Aurora A, VX-689 was used as the competitive binder.
6109	1	Inhibition Assay Protocol A	Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMRA-Kemptide was added to each well.  Separately, a mixture containing ATP (final concentration 5mM) and Aurora A or Aurora A:TPX2(1-43) (final concentrations 1.2nM and 400nM, respectively) was prepared. The microtiter plate and the mixture solution were preincubated for 15 min at 30 C, then the reaction was started by transfer of the mixture into each well of the microtiter plate. The reaction was stopped after 60 min incubation at 30 C by 20-fold dilution into phosphoric acid (75mM).
6109	2	Inhibition Assay Protocol B	Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM). Subsequently, a mixture of TAMRA-Kemptide and Aurora A or Aurora A:TPX2(1-43) (final concentrations 1.2 and 400nM, respectively) was added to each well. Separately, a solution containing ATP (final concentration 5mM) was prepared. The microtiter plate and the ATP solution were preincubated for 15 min at 30 C, and the reaction was started by transfer of ATP into each well of microtiter plate.  The reaction was stopped after 60 min incubation at 30 C by 20-fold dilution into phosphoric acid (75mM).
6110	1	IC50 Determination	To determine the IC50 values for CB29 and its analogues, propionaldehyde was used as the substrate for ALDH1A1 and ALDH2 and benzaldehyde was used as the substrate for ALDH3A1.  The assays were performed at various concentrations of inhibitors, ranging from 50 nM to 250 uM, following 1 min preincubation. All reactions were initiated by the addition of the aldehyde substrate.
6111	1	AlphaScreen Assay (AS)	Each 384-well plate was prepared with 4.75 &#181;L of working assay buffer (50 mM HEPES, 10 mM DTT, 100 mM NaCl, 0.05% Tween029 and 0.1 mg/mL casein, pH 7.4) and 0.25 &#181;L of compound stock (20 mM in DMSO) per well. Both binding partners, BCl-xL and the acceptor beads, and biotinylated BH3 peptide and the donor beads were preincubated for 30 min. 10 &#181;L of the acceptor bead-BCL-xL complex was added to all of the wells and the plates were covered and incubated for 30 min in room temperature. 10 &#181;L of the donor bead-BH3 peptide complex was then added to each well and the plates were again covered and incubated for 4 h at room temperature and then read using a PerkinElmer Fusion Alpha plate reader (Ex680, Em520-620 nM).
6111	4	SPR Directy Binding Assay (Biacore 4000)	The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 &#181;L/min.  For His-Bcl-2 protein assays, the running buffer contained 0.01 M HEPES, 0.15 M NaCl, 50 &#181;M EDTA, 0.05% P20 and 1% DMSO at pH 7.4. The His-Bcl-2 protein surface was regenerated between binding cycles with at least a 5-min injection of running buffer for tight-binding compounds.
6111	3	SPR Directy Binding Assay (Biacore S51)	A concentration series of each compound was injected at a flow rate of 90 &#181;L/min over three spots at 25&#176;C. The times allowed for compound association time and dissociation within the flow cell time were 2 min and 8 min, respectively. The buffer blank was also injected periodically for double referencing along with buffer samples containing an incremental range of 4-6% DMSO, used for solvent correction. The antibody surface was regenerated between binding cycles with 40-s injection of 10 mM glycine-HCl, pH 2.2. The protein was injected at 10 &#181;L/min for 3 min across spot 2 only at the beginning of each cycle.
6112	1	Enzyme Inhibition Assay	Enzyme inhibition assay using TAFIa.
6113	1	Inhibition Assay	Inhibition of the Activity of HIF Prolyl Hydroxylase is carried out as described [Oehme F., Jonghaus W., Narouz-Ott L., Huetter J., Flamme I., Anal. Biochem. 330 (1), 74-80 (2004)].
6115	1	Biological Assays	The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin.
6116	1	Radioligand Binding Assay	Radioligand binding assay using TAAR1.
7102	1	Alternative Enzyme Assay	The assay used AlphaScreen technology (Gray et al., Analytical Biochemistry, 2003, 313: 234-245) to determine the ability of test compounds to inhibit phosphorylation by recombinant mTOR.Test compounds were prepared as 10 mM stock solutions in DMSO and diluted into water as required to give a range of final assay concentrations. Aliquots (2 ul) of each compound dilution were placed into a well of a Greiner 384-well low volume (LV) white polystyrene plate (Greiner Bio-one). A 10 ul mixture of recombinant purified mTOR enzyme, 1 uM biotinylated peptide substrate (Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-Pro-Ser-Val-Leu-Glu-Ser-Val-Lys-Glu-NH2; Bachem UK Ltd), ATP (20 uM) in a buffer solution [comprising Tris-HCl pH7.4 buffer (50 mM), EGTA (0.1 mM), bovine serum albumin (0.5 mg/ml), DTT (1.25 mM) and manganese chloride (10 mM)] were added to the assay plates and incubated with compound for 2 hours at room temperature.
6117	1	Inhibition Assay	Inhibition assay using human enteropeptidase.
6117	2	Inhibition Assay	Inhibition assay using human trysin.
6118	1	Competitive Binding Assay	hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. 
6119	1	Inhibition Assay	The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay (Greenlee et al., J Pharmacol Exp Ther, 1978). Our first studies were with highly purified human CYP2A6 that provided a convenient and relatively high-throughput measure of CYP2A6 inhibition.
6119	2	Inhibition Assay (Testosterone Hydroxylase)	To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of other CYPs, we examined the major CYP present in human liver (i.e., CYP 3A4). That the CYP2A6 inhibitors showed low or no inhibitory activity against CYP3A4 suggests that the inhibitors examined selectively inhibited CYP2A6. 
6120	1	Binding Assay	Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138).
6121	1	Enzyme Inhibition Assay	Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aventis, Frankfurt, Germany. 
6121	2	Enzyme Inhibition Assay	Determination of the enzymatic activity of the catalytic domain of human Cathepsin B. This protein is obtained as an inactive enzyme from Sigma, Wiesbaden, Germany (catalog No. C8571).
6122	1	Inhibition Assay	In the kinase reactions, fused proteins (6His tag-fused hJAK3 kinase domain (aa781-end)) which were coexpressed in Sf21 cells and purified by Ni2+/NTA agarose were used.
6122	2	Inhibition Assay	In the kinase reactions, fused proteins (6His tag-fused hJAK2 kinase domain (aa808-end)) which were coexpressed in Sf21 cells and purified by Ni2+/NTA agarose were used. 
6123	1	Enzyme Assays	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 uM final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 uM (HDAC1), 10 uM (HDAC2), 17 uM (HDAC3) and 14 uM (HDAC6).
6125	1	Urease Inhibition Assay	The assay mixture contained 40 &#181;L of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 &#181;L of enzyme (5U/mL) and 10 &#181;L of the test compound. The assay mixture was incubated at 37 &#176;C for 10 min in a 96-well plate, followed by the addition of 40 &#181;L of alkali reagents (0.5 %, w/v NaOH, 0.1% active chloride NaOCl) and 40 &#181;L of the phenol reagents (1%, w/v phenol, 0.005%, w/v sodium nitroprusside) to each well. The absorbance was measured at 625 nm.
6126	1	AR Activity	The reaction mixture contained 1 mL of 1 M potassium phosphate buffer (pH 6.2), 0.4 mM lithium sulfate and 5 &#181;M 2-mercaptoethanol, 10 &#181;M DL-glyceraldehyde, 0.1 &#181;M NADPH, and crude enzyme.  The reaction mixture was incubated at 37 &#176;C for 10 min.  The reaction was initiated by the addition of NADPH and the decrease in absorbance was measured at 340 nm.
6127	1	&#181;-Calpain Inhibition Assay	Inhibition of &#181;-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 50 mM NaCl, 1 mM EDTA, 1 mM EGTA and 5 mM &#946;-mercaptoethanol, pH 7.5) with 100 &#181;M pep1, 2.5 mM CaCl2, and 5.25 units/mL &#181;-calpain.  The reaction was initiated by sequential addition of substrate A, &#181;-calpain, each compound, and finally a CaCl2 solution.  The reaction mixture (100 &#181;L) was incubated at room temperature for 30 min with shaking.  Fluorescence intensities were measured at 320 nm excitation and 420 nm emission wavelengths. MDL28170 was used as a positive control for &#181;- and m-calpain inhibition.
6127	2	m-Calpain Inhibition Assay	Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM &#946;-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 &#181;M substrate B, 5 mM CaCl2 and 2.88 U/mL m-calpain.  The reaction was initiated by sequential addition of substrate B, m-calpain, each compound, and finally a CaCl2 solution.  The reaction mixture (100 &#181;L) was incubated at room temperature for 30 min with shaking.  Fluorescence intensities were measured at 320 nm excitation and 420 nm emission wavelengths. MDL28170 was used as a positive control for &#181;- and m-calpain inhibition.
6127	3	Cathepsin B Inhibition Assay	Inhibition of cathepsin B was assayed in reaction buffer (50 mM NaOAc-HCl, 2 mM dithiothreitol, 2 mM EDTA, pH 5.5) containing 20 &#181;M substrate and 1.5 nM cathepsin B. RR-AMC was used as a substrate for cathepsin B.  Cathepsin B was activated by incubation in assay buffer at 37 &#176;C for 30 min prior to initiation of the reaction by addition of the substrate and test compound. The reaction mixture was then incubated at room temperature for 30 min with shaking. Fluorescence intensities were measured at 360 nm excitation and 450 nm emission wavelengths.  CA074 was used as a positive control for inhibition of cathepsin B.
6127	4	Cathepsin L Inhibition Assay	Inhibition of cathepsin L was assayed in reaction buffer (0.1M NaOAc-HCl, 1 mM EDTA, 0.1% &#946;-mercaptoethanol, pH 5.5) containing 20 &#181;M substrate and 4 nM cathepsin L. Z-FR-AMC was used as a substrate for cathepsin B.  Cathepsin L was activated by incubation in assay buffer at 37 &#176;C for 30 min prior to initiation of the reaction by addition of the substrate and test compound. The reaction mixture was then incubated at room temperature for 30 min with shaking. Fluorescence intensities were measured at 360 nm excitation and 450 nm emission wavelengths.  Z-FF-FMK was used as a positive control for inhibition of cathepsin L.
6128	2	EGFR, MAPK and PDK Inhibitory Acitivity Assay	EGFR was incubated with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 10 mM MnCl2, 0.1 mg/mL poly(Glu, Tyr) 4:1. MAPK1 was incubated with 25 mM Tris (pH 7.5), 0.02 mM EGTA, 250 &#181;M substrate peptide (MAPK1-peptide), whereas PDK1 was incubated with 50 mM Tris (pH 7.5), 100 &#181;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC (PDKtide). The incubation was followed by the addition of 10 mM magnesium acetate and gamma-P33-ATP to each kinase. The kinase reactions were initiated with the addition of Mg:ATP mixture and stopped after 40 min of incubation with the addition of 3% phosphoric acid solution.
6128	1	c-Src Kinase Inhibitory Activity Assay	The kinase reaction was initiated with the incubation of the 2.5 &#181;L of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer) with 2.5 &#181;L of prediluted compounds (dissolved in 10% DMSO, 4X target concentration) for 10 min at room temperature. The reaction cocktail contained 200 mM HEPES (pH 7.5), 16 mM MgCl2, 8 mM EGTA, 4% DMSO, 0.04% Brij-35, and 43 mM 2-mercaptoethanol. The kinase reaction was initiated by adding 5 &#181;L of ATP/substrate (40 &#181;M/600 &#181;M) cocktail and incubated for 30 min at room temperature. The reaction was stopped by adding 10 &#181;L of the 1X ADP detection mixture to the enzyme reaction mixture, followed by incubation at room temperature for 1 h. Fluorescence intensity was measured (excitation of 580 nm and emission of 630 nm).
6129	1	Fluorescence Polarization Assay	An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain of human recombinant HSP90. The reaction can be followed kinetically using fluorescence (excitation lamda==485 nm; emission lamda==538 nm). The binding affinity of the test compound to HSP90 is determined by the changes in the polarized fluorescence; the intensity of the polarized fluorescence is proportional to the fraction of bound probe. To each test well, an aliquot of buffer, 2 ul of test compound in 10% DMSO, 4 ul of 6.25 nM of TSD FP probe, 4 ul of 12.5 nM of purified HSP90a protein were added. For positive control, 1 uM geldanamycin (GM) was used instead of the test compound (GM is a natural benzoquinone ansamycin that is known to bind to the N-terminal ATP-binding pocket of HSP90 and inhibits ATP binding and ATP-dependent chaperone activities). For negative control, no inhibitor was added.
6130	1	Inhibition Assay	The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
6131	1	Biological Assay	The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin.
6132	1	Kinase assays	Kinase assays were performed in 96 well microtiter plates that were coated overnight with 30.mu.g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.2-7.4. The plates were incubated with 1% BSA and then washed four times with PBS prior to starting the reaction. Reactions were carried out in 120.mu.L reaction volumes containing 3.6.mu.M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl.sub.2, 0.1 mM MnCl.sub.2 and 0.2 mM Na.sub.3 VO.sub.4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 0.5 ng of purified protein. Following a ten minute incubation at 25.degree. C., the reactions were washed four times with PBS containing 0.05% Tween-20. 100.mu.l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate was diluted 1:10000 in PBS-Tween-20 and added to the wells for 30 minutes.
6133	1	Pim Kinase Binding Activity	PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO.
6134	1	In Vitro Enzyme Assays	IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for IRE-1 alpha. T1 RNase was assayed as follows. Five ul of a reaction mixture comprising 1x reaction buffer (5x reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water were added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution were added to test wells. Three ul of a 1/48,000 dilution of an approximately 200,000 U/ml RNase T1 (Worthington) preparation were added to each test well and to positive control wells (final concentration 49.5 pg/well). Negative control wells contained only reaction mixture and test compound.  After spinning the plates at 1200 rpm for 30 seconds, 3 ul of the mini-XBP-1 mRNA stem-loop substrate described in Example 1 were added to each well of a control plate.
6135	1	Inhibition Kinetics with Angiogenin	The assay was carried out in oligovinylsulfonic acid free 0.1 M Mes-NaOH buffer (pH 6.0) containing 0.1 M NaCl using substrate concentration from 20 to 122 nM.  The concentration of compounds 2, 3, 4 and 5 ranged from 0 to 0.8, 0 to 1.2, 0 to 1.2 and 0 to 2.5 mM, respectively. The angiogenin concentration was 0.36 &#181;M.
6136	1	Kinase Assays	ATP (6.021 &#956;M) and substrate (457.7 nM) were used.  Kinase, substrate peptide, and inhibitor were added in a 384-well plate.  The reaction was started by the addition of ATP and incubated for 30 min, followed by the addition of an antiphosphotyrosine antibody labeled with europioum cryptate and streptavidin labeled with fluorophore XL665.  The fluorescence of the samples was measured at 620 nm (Eu-labeled antibody) and 665 nm (XL665-labeled streptavidin).
6137	1	Enzyme Assay	Primary stock solutions of test compounds at a concentration of 6 mM were prepared from the 2 to 5 mg powder. The primary stock solutions of each test compound were prepared freshly in distilled water on the day of study to obtain a final concentration of 6 mM. For determination of IC50 values, 12 test compound concent rations were prepared as 3-fold serial dilutions. Concentration range of test compound utilized for nNOS were 0.001 to 300 &#956;M and for eNOS were 0.003 to 10 00 &#956;M. The vehicle of the test compound or inhibitor was used as blank control. For non-specific activity, 100 &#956;M L-NMMA was used. Runs using the IC50 concentration of L-NAME were done in parallel as controls. All incubations are performed in duplicate.
6137	2	Enzyme Assay	Recombinant human inducible NOS (iNOS) was produced in Baculovirus-infected Sf9 cells (ALEXIS). In a radiometric method, NO synthase activity was determined by measuring the conversion of [3H]L-arginine to [3H]L-citrulline. To measure iNOS, 10 uL of enzyme was added to 100 uL of 100 mM HEPES, pH=7.4, containing 1 mM CaCl2, 1 mM EDTA, 1 mM dithiothreitol, 1 uM FMN, 1 uM FAD, 10 uM tetrahydrobiopterin, 120 uM NADPH, and 100 nM CaM. To measure enzyme inhibition, a 15 uL solution of a test substance was added to the enzyme assay solution, followed by a pre-incubation time of 15 min at RT. The reaction was initiated by addition of 20 uL L-arginine containing 0.25 uCi of [3H] arginine/mL and 24 uM L-arginine. The total volume of the reaction mixture was 150 uL in every well.
6138	1	ELISA Assay	Streptavidin-coated 96-well plates are used to immobilise a biotin-tagged IP3 p53-derived peptide (MPRFMDYWEGLN). This is a peptide analogue derived from the p53 binding site for MDM2 (QETFSDLWKLLP). IP3 has a higher affinity for MDM2 than the native peptide and has been used elsewhere to identify antagonists of the binding between MDM2 and p53 (Stoll et al 2001). Aliquots of MDM2 generated by in vitro translation are pre-incubated for 20 minutes at room temperature (i.e. 20-25C.) with test compounds and controls, before transfer into the IP3-coated 96-well plates. Following a further incubation period of 90 minutes at 4C., the plates are washed to remove unbound MDM2 and the residual bound MDM2 is detected using a primary monoclonal antibody (MDM2 Ab-1, clone IF2, Oncogene Research Products) and HRP-conjugated secondary antibody (Goat anti-mouse, Dako PO447).
6139	1	Enzyme Assay	MIF tautomerase activity was measured by UV-Visible recording spectrophotometry (SHIMADZU, UV1600U). A fresh stock solution of L-dopachrome methyl ester was prepared at 2.4 mM through oxidation of L-3,4-dihydroxyphenylalanine methyl ester with sodium periodate. 1 &#956;L of MIF solution (800-900 ng/mL) and 1 &#956;L of a DMSO solution with various concentrations of the enzymatic inhibitor were added into a plastic cuvette (10 mm, 1.5 mL) containing 0.7 mL assay buffer (50 mM potassium phosphate, pH 7.2). Then L-dopachrome methyl ester solution (0.3 mL) was added to the assay buffer mixture. Activity was determined at room temperature and the spectrometric measurements were made at &#955;=475 nm for 20 seconds by monitoring the rate of decolorization of L-dopachrome methyl ester in comparison to a standard solution.
6140	1	Enzyme Assay	The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol. Chem., 1971, 246, 7566-8; Vincenzetti S. et al., Protein Expr. Purif. 1996, 8, 247-53). The assay follows the change in absorbance at 286 nm of the CDA-catalyzed deamination of cytidine to form uridine. The reaction is carried out in potassium phosphate buffer (pH 7.4, 20 mM, containing 1mM DTT) in a total volume of 200 &#956;l in a 96-well plate format. The final reaction mixture contains cytidine (50 &#956;M) and purified human recombinant CDA. Purified enzyme is diluted so as to produce an absorbance change of approximately 2 milli-absorbance units/minute. Base line measurements of absorbance change over time are made before CDA addition to insure no change of absorbance in the absence of CDA. After CDA addition, absorbance change is monitored for 20-30 minutes.
6141	1	Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate. Biotinylated product is bound streptavidin sepharose beads. All bound, radiolabeled products are detected by scintillation counter. Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 um hydrophilic PVDF filter plates (Millipore).
6142	1	Glucan Synthase Assay	The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble &#946;-glucan as catalysed by the glucan synthase activity present in membrane preparations from Candida albicans and Aspergillus fumigatus. UDP-[3H]-glucose (ca 0.01 &#956;Ci) is added to 100 &#956;l assay buffer (50 mM Tris-Cl, pH8.0, 8% glycerol, 1 mM EDTA, 1.5 mM KF, 1 mM DTT, 20 &#956;M GTP&#947;S, 600 &#956;M UDP-glucose) and the reaction initiated by the addition of 2.5 &#956;l of enzyme preparation.  After incubation at 30&deg;C. for 120 minutes, 10 &#956;l of 30 mg/ml BSA is added with mixing and the reaction is terminated with 110 &#956;l ice-cold 20% TCA. The precipitate is collected on a GF/B filter plate and washed three times with 200 &#956;l water. Once dry, 200 &#956;l of Microscint20 is added to each well and the plate is read on a Top-count scintillation counter.
6143	1	Receptor Binding Assay	A prepared WP was homogenated and a membrane fraction was collected with high-speed centrifugation. A compound of the present invention was added to the plate and [3H]-PGD2 was also added. A platelet membrane, a protein concentration is 2 mg/mL, was added and mixed in the plate, and placed on ice for 2 hours. The reaction solution was transferred to a low protein-adsorptive filter and washed with a wash solution eight times using a cell harvester. After the final washing, water was removed sufficiently, and scintillator was added. DP inhibitory activity was investigated by measuring [3H] by using Micro Beta.
6144	1	Kinase Activity Assay	The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody.  The assay itself is divided into two phases: the reaction phase and the detection phase. In the reaction phase, all components required for the kinase reaction are added to the well, including the labeled protein substrate. The reaction is allowed to incubate for 60 minutes. After the reaction, EDTA is added to stop the kinase reaction, and terbium-labeled antibody is added to bind phosphorylated product. Because the terbium chelate is stable at the EDTA concentrations used to stop a kinase assay, the antibody and EDTA can be pre-mixed prior to addition to minimize pipetting steps. Binding of the terbium labeled antibody to the fluorophore-labeled phosphorylated product brings the terbium and GFP into proximity, resulting in an increase in TR-FRET.
6144	2	Filter-Binding-Assay	PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
6145	1	Functional Assay	Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested for their ability to prevent 5-HT6 receptors activation by serotonin. HEK 293 cells (cells of human embryo&#39;s kidney) with artificially expressed 5-HT6 receptor, activation of which by serotonin leads to increasing the concentration of intracellular cAMP, were used. The level of intracellular cAMP was determined using reagent kit LANCE cAMP (PerkinElmer) according to the method described by the manufacturer of the kit [http://las.perkinelmer.com/content/Manuals/MAN_LANCEcAMP384KitUser.pdf]. Effectiveness of the compounds was estimated by their ability to reduce the level of intracellular cAMP induced by serotonin. Table 4 presents IC50 values for the compounds of general formula 1 in the setting of functional assay for serotonin 5-HT6 receptor inhibition. The data given testify their moderate or high antagonistic activity.
6145	2	Competitive Assay	Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand binding. For this purpose membrane species were prepared from expressing recombinant human 5-HT6 receptors HeLa cells by means of their homogenization in glass homogenizer with subsequent separation of plasmatic membranes from cell nucli, mitochondria's and cell wreckages by differential centrifugation. Determination of tested compounds binding to 5-HT6 receptors was carried out according to the method described in [Monsma F J Jr, Shen Y, Ward R P, Hamblin M W and Sibley D R, Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs. Mol. Pharmacol. 43:320-327, 1993].
6146	1	sPLA2-V activity assay	Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aqueous solution of Tris-HCl (pH 8). Enzyme and DTNB yielded final concentrations of 100 ng/mL and 87 &#181;M. The assay was progressed in 96-well microliter plates containing DTNB, substrate solution, and the respective test substance in an aqueous buffer solution (pH 7.5) containing 94 mM KCl, 9 mM CaCl2, 24 mM Tris, and 280 &#181;M Triton-X 100 at room temperature.
6146	3	Cyclooxygenase activity assay	Reaction mixture containing 100 mM Tris-HCl buffer (pH 8) and COX-1 (ovine) or COX-2 (human recombinant) was preincubated for 10 min in a water bath at 37 &#176;C. The reaction was initiated by the addition of 10 &#181;L arachidonic acid (final concentration 100 &#181;M). After 2 min, the reaction was terminated by adding 1 M HCl. Test compounds were dissolved in DMSO and diluted to the desired concentration with potassium phosphate buffer of pH 7.4.
6146	2	Lipo-oxygenase activity assay	The assay was progressed in 96-well microliter plates containing substrate, soybean LOX enzyme, and respective test substance at room temperature in a 0.1 M Tris-HCl buffer solution at pH 7. The reaction was initiated by the addition of substrate solution to all wells and incubated for 5 min, followed by the addition of 100 &#181;L of chromogen solution to all wells to stop enzyme catalysis and incubated for 5 min. The absorbance was measured at 490 nm. Dimethyl sulphoxide served as a negative control.
6146	4	Microsomal prostaglandin E synthase-1 activity assay	The assay buffer contained 100 mM KHPO4 (pH 7.0), 2 mM EDTA and 2.5 mM reduced GSH. 100 &#181;L of reaction buffer containing human recombinant mPGES-1 was added to 96-well non-binding plate, followed by the addition of test samples to their respective wells.  The reaction mixture was incubated for 30 min at 20 &#176;C. The reaction was initiated by adding 20 &#181;L of cold 2.8 &#181;M PGH2 to all wells and incubated again for 30 seconds at room temperature. The reaction was quenched by adding 20 &#181;L of SnCl2 solution in 1 N HCl.
6147	1	Inhibition Assay	In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP, Invitrogen) as the substrate similar to that described previously (Chen, et al., Discovery of a novel shp2 protein tyrosine phosphatase inhibitor. Mol Pharmacol 2006; 70:562-70). 
6148	1	Scintillation Proximity Assay	The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Healthcare, former Amersham Biosciences, product number: TRKQ 7100).
6149	1	Biochemical Assay	A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds. Alternatively, the Lanthascreen assay can be used to evaluate Btk activity through quantification of its phosphorylated peptide product. The FRET (Fluorescence Resonance Energy Transfer) that occurs between the fluorescein on the peptide product and the terbium on the detection antibody decreases with the addition of inhibitors of Btk that reduce the phosphorylation of the peptide. 
6150	1	Inhibition Assay	In the design of clinically safe and effective metalloenzyme inhibitors, use of the most appropriate metal-binding group for the particular target and clinical indication is critical. If a weakly binding metal-binding group is utilized, potency may be suboptimal. On the other hand, if a very tightly binding metal-binding group is utilized, selectivity for the target enzyme versus related metalloenzymes may be suboptimal. The lack of optimal selectivity can be a cause for clinical toxicity due to unintended inhibition of these off-target metalloenzymes. One example of such clinical toxicity is the unintended inhibition of human drug metabolizing enzymes such as CYP2C9, CYP2C19 and CYP3A4 by the currently-available prostate anticancer agent ketoconazole. It is believed that this off-target inhibition is caused primarily by the indiscriminate binding of the currently utilized 1-imidazole to iron in the active site of CYP2C9, CYP2C19 and CYP3A4. 
6151	1	In Vitro Enzyme Assay	Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme&#39;s phosphorylation of 5-FAM-EAIYAHPFAKKK-CONH2 (Caliper LifeSciences, cat #760346) peptide substrate in the presence of ATP at Km app. The phosphorylated product is detected using the Caliper mobility shift detection method where product and substrate are electrophoretically separated.
6152	2	Kinase Assay	The FLT3 inhibitory activity of the CDK4/6-FLT3 inhibitors was determined with a HTRF kinase assay. The FLT3 enzyme (GST-FLT3 fusion) was purchased from Carna Biosciences. An ULight-labeled synthetic peptide derived from human Janus kinase 1 (aa1015-1027, ULight-JAK1, PerkinElmer) was utilized as the phosphoacceptor substrate. The assay was conducted in a 384-well white OptiPlate (PerkinElmer). The 20 &#956;L reaction mixture contained 50 nM ULight-JAK1, 116 &#956;M ATP, 0.0385 ng/&#956;L FLT3 and dilutions of test compounds in the kinase buffer (50 mM Hepes, pH 7.6, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, and 0.005% Tween 20). The reaction was allowed to proceed for 1 hour at room temperature and was stopped by adding 20 &#956;L of 10 mM EDTA, 2 nM LANCE Eu-W1024 anti-phospho-tyrosine antibody in LANCE detection buffer (PerkinElmer). The plates were incubated at room temperature for 2 hours after addition of detection reagents and then read on an Envision multimode reader (PerkinElmer).
6152	1	Kinase Assay	The CDK4 and CDK1 inhibitory activity of the CDK4/6-FLT3 inhibitors was determined with a filtration kinase assay. The compounds, kinase and substrate diluted in the kinase buffer (20 mM Tris, pH7.4, 50 mM NaCl, 1 mM DTT, 0.1% BSA) were sequentially added to a 96-well Multiscreen HTS filtration plate (Millipore). The final 100 &#956;L reaction mixture in each well contained 0.3 &#956;g of CDK4/Cyclin D1 or CDK1/Cyclin B (Cell Signaling Technology), 1 &#956;g of Rb fragment (aa773-928, Millipore) for the CDK4 assay or 5 &#956;g of histone H1 for the CDK1 assay and 1 &#956;Ci of [33P]-ATP. The mixture was incubated at room temperature for 1 hour. The proteins in the reaction were then precipitated and washed with cold TCA solution using an aspiration/filtration vacuum system. The plates were dried at room temperature, and the retained radioactivity was measured by scintillation counting.
6153	1	ELISA-Based Kinase Assay	Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, 125 mM NaCl, 10 mM MgCl2, 100 &#956;M sodium orthovanadate, 2 mM dithiothreitol, 20 uM ATP, test compound or vehicle control and 1-5 nM GST-erbB per 50 uL reaction) were run in 96-well plates coated with 0.25 mg/ml poly-Glu-Tyr (Sigma). The reactions were incubated for 6 minutes at room temperature while shaking. Kinase reactions were stopped by removal of reaction mixture, then wells were washed with wash buffer comprising 3% Bovine Serum Albumin and 0.1% Tween 20 in Phosphate Buffered Saline (PBS). Phosphorylated tyrosine residues were detected by adding 0.2 &#956;g/ml anti-phosphotyrosine antibody (Oncogene Ab-4; 50 &#956;L/well) coupled to Horse Radish Peroxidase (HRP) for 25 minutes while shaking at room temperature.
6154	1	Inhibition Assay	The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP. 
6155	1	Inhibition Assay	The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM NaCl. The following components are added in a white polystyrene Costar plate (Ref 3912) up to a final volume of 55.5 uL: 1.5 uL DMSO or inhibitor dissolved in DMSO and 54 uL of a FabI/NADPH/NADP+ mixture in AB. After 60 min of pre-incubation at room temperature, the reaction is started by addition of 5 uL of trans-2-octenoyl N-acetylcysteamine thioester (t-o-NAC) to a final volume of 60.5 uL. This reaction mixture is then composed of 2 nM FabI, 40 uM NADPH (Sigma, N7505), 10 uM NADP+ (Sigma, N5755), 100 uM t-O-NAC and compound at defined concentration. Fluorescence intensity of NADPH (lamda=ex=360 nm, lamda=em=520 nm) is measured immediately after t-O-NAC addition (T0), and approximately 50 min later (T50) by a Fluostar Optima (BMG).
6156	1	NAMPT enzyme assay	The reaction was carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well plates. NAMPT protein was added to 1 Buf 1 &#181;L compound, incubated for 15 minutes at room temperature, and then 10x substrate and co-factors in were added to the test well (final concentrations were 30 nM NAMPT, 1 &#181;M NAM, 100 &#181;M PRPP, and 2.5 mM ATP). The reaction was incubated for 30 minutes at room temperature and then quenched with formic acid and L-cystathionine to make final concentration of 1% formic acid and 10 &#181;M L-cystathionine.
6157	1	DDC-MDH-PEPC-Linked assay	To the wells of a 384-well polypropylene plate, 1 &#181;L DMSO (control) or test compounds at indicated concentrations were added, followed by the addition of 24.5 &#181;L enzyme mix [50 mM Tris-HCl, 50 mM NaCl, 0.015% (w/v) BSA, 5 mM MgCl2, 2 mM &#946;-mercaptoethanol, 760 &#181;M NADH, 330 nM PEPC, 100 &#181;M PLP and 284 nM hDDC, pH 8.05], and 24.5 &#181;L substrate mix [50 mM Tris-HCl containing 50 mM NaCl, 0.015% (w/v) BSA, 5 mM MgCl2, 2 mM &#946;-mercaptoethanol, 10 mM PPPA, 0.49 U MDH and 1.5 mM L-DOPA, pH 8.05]. The plate was sealed and incubated for 1 h in 37 &#176;C. The OD was taken at 340 nm.
6157	2	Human CSE enzyme assay	500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before adding substrate (5 mM L-cysteine; final concentration). The reaction was then incubated at 37 &#176;C for 60 min before the absorbance at 413 nm of DTNB was measured.
6158	1	Glucosidase assay	Reaction mixture (100 &#181;L) contained 70 &#181;L 50 mM Na2HPO4 buffer, pH 6.8, 10 &#181;L test compound (0.5 mM), followed by the addition of 10 &#181;L enzyme (0.0234 units). The mixture was pre-incubated for 10 min at 37 &#176;C and pre-read at 400 nm. The reaction was initiated by the addition of 10 &#181;L of 0.5 mM substrate (p-nitrophenyl glucopyranoside) and incubated at 37 &#176;C for 30 min. The absorbance of p-nitrophenol was measured at 400 nm.
6160	1	Radioligand Binding Assay	Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the orexin-1 (OX1) or orexin-2 (OX2) receptor. 
6161	1	Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80&#176; C. after protein concentration determination.  Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
6162	1	Binding Assay	Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 &#956;g protein) were incubated for 60 min at 25&#176; C. with 1.4 &#956;M of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 &#956;M 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro 3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. 
6163	1	Competitive Binding Assay	Determination of tested compounds binding with 5-HT6 receptors was carried out according to the method described in [Monsma F J Jr, Shen Y, Ward R P, Hamblin M W and Sibley D R, Cloning and expression of a novel serotonin receptor with high affinity for tricyclic psychotropic drugs. Mol. Pharmacol. 43:320-327, 1993].
6163	2	Functional Assay	Compounds of general formulas 1 and 2 were tested for their ability to prevent 5-HT6 receptors activation by serotonin. HEK 293 cells (cells of human embryo&#39;s kidney) with artificially expressed 5-HT6 receptor, activation of which by serotonin leads to increasing the concentration of intracellular cAMP were used. The content of intracellular cAMP was determined using reagent kit LANCE cAMP (PerkinElmer) according to the method described by the manufacturer of the kit [http://las.perkinelmer.com/content/Manuals/MAN_LANCEcAMP384KitUser.pdf]. Effectiveness of compounds was estimated by their ability to reduce the content of intracellular cAMP induced by serotonin.
6164	1	Binding Assay	The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a recombinant human His-tagged MDM2 protein (residues 1-118) and a fluorescently tagged p53-based peptide.  The design of the fluorescence probe was based upon a previously reported high-affinity p53-based peptidomimetic compound called PMDM6-F (Garc&#237;a-Echeverria et al., J. Med. Chem. 43: 3205-3208 (2000)).
6165	1	Kinase Assay	Approximately 5-20 &#956;g of purified GST-RET proteins were incubated with 1 mM ATP in 20 &#956;L kinase buffer (10 mM Tris-HCl, 5 mM MgCl2, pH 7.4), at 30&#176; C. for 30 minutes. The kinase reactions were terminated by boiling the samples in SDS-PAGE sample buffer. Samples were resolved on 10% acrylamide gels by SDS-PAGE followed by Western blotting. Phosphorylation was detected using a pan-phosphotyrosine pY99 antibody (available from Santa Cruz Biotechnology) or RET phospho-specific antibody (pY905, available from Cell Signaling, Beverly, Mass., USA).
6166	1	Fluorescence Polarization Assay	In order to identify compounds that disrupt the interaction between PIP3 and PH domains, a high-throughput fluorescence polarization (FP)-binding assay was developed using recombinant 1-123 amino acid N-terminal fragment of human Akt1 (also referred to herein simply as Akt), encompassing the PH domain (PH123 protein), and fluorescent NBD-labeled PIP3 molecule. The amino acid sequence of human Akt1 is publicly available as, for example, GenBank Accession No. NP001014432.1 (SEQ ID NO:1), and the corresponding DNA sequence is publicly available as, for example, GenBank Accession No. NM001014432. Briefly, 5 &#956;M recombinant GST fusion proteins containing 1-123 a.a. N-terminal fragment of human Akt1 (PH 123) or 100 nM 441-551 a.a. region of human PDK1 were incubated with 15 nM TMR-labeled PIP3, PIP2, or PIP5 in buffer containing 50 mM Tris-HCl (pH 7.5), 150 mM NaCl, and 5 mM b-ME for 15 min at room temperature in the dark. 
6167	1	Biological Assay	In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.). 
6168	1	Spectrophotometric 384 Well Assay	Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction.  For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.
6169	1	Glucagon Receptor Binding Assay	Recombinant human glucagon receptor (huGlucR) membranes and mouse glucagon receptor (mGlucR) membranes were prepared in-house from huGlucR/clone 103c/CHO and mouse liver tissue, respectively. 0.03 ug/li huGluR membranes (or 0.5 ug/ml mGlucR) was incubated in assay buffer containing 0.05 nM 125I-Glucagon (Perkin Elmer, NEX 207) and varying concentrations of antagonist at room temperature for 60 to 90 (assay buffer: 50 mM HEPES, 1 mM MgCl2, 1 mM CaCl2, 1 mg/ml BSA, COMPLETE protease inhibitor cocktail, pH 7.4). The total volume of the assay was 200 ul. The assay was performed at room temperature using 96-deep well plate. 
6170	1	Activity Assay	Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase activity (MAOs) from recombinant source (microsomes from baculovirus infected insect cells, Sigma). Experiments were performed according to the Supplier&#39;s procedure, incubating human recombinant MAO-A or MAO-B with a luminogenic substrate, a derivative of beetle luciferin ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid). MAOs converts this luciferin derivative to methyl ester luciferin and only compounds that interfere with the ability of the enzyme to use the pro-luminescent substrate will cause changes in the resulting luminescent signal. 
6171	1	Enzymatic Assay	A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reactions were carried out in a 384-well plate (Matrical MP-101) in a 10 L total volume. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween-20, ATP (4 M for JAK2 and JAK3, 40 M for JAK1 and 7 M for Tyk2)), 2% DMSO and 1 M peptide substrate (JAKtide for JAK2 and JAK3 and IRS-1 peptide for JAK1 and Tyk2). Compounds were diluted serially in 100% dimethyl sulfoxide and tested in an 11 point dose response in duplicate or quadruplicate (200 nl of compound/DMSO was added per 10 L reaction). The reactions were initiated by the addition of enzyme to the final concentration of 2 nM JAK2, 1 nM JAK3, 12 nM Tyk2 or 20 nM JAK1. The assay was run for 240 minutes for JAK1, 150 minutes for JAK2, 90 minutes for JAK3 and 70 minutes for Tyk2.
6172	2	BACE Assay	For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fused to a myc-his tag and secreted from HEK293/BACEect. cells into OptiMEM (Invitrogen) as enzyme source and a substrate peptide derived from the APP-Swedish mutation which possesses a Cy3-fluorophore at the N-terminus and a Cy5Q-quencher at the C-terminus (Cy3-SEVNLDAEFK-Cy5Q-NH2; Amersham). 
6172	1	Enzyme Assay	Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well white opaque Optiplates aque Optiplates (PerkinElmer, Waltham, Mass.) in a total volume of 200 &#956;l of the incubation mixture containing 50 mM sodium acetate buffer, pH 4.5, 0.4 &#956;M FRET substrate, 2.4 nM enzyme, 5% DMSO, and 0.05% Brij-35. The tested compounds were serially diluted in DMSO and pre-incubated with the substrate. The reaction was started by addition of enzyme, and the progress of the reaction was followed by measuring fluorescence with an excitation wavelength of 480 nm and an emission wavelength of 520 nm. Ten measurements were taken every 5-10 min, and the intensity of fluorescence was regressed against time in order to derive velocities of reaction in all 96 wells. 
6173	1	Biochemical Assay	Compounds of the present invention were evaluated for potency against PI3-K&#945; using an in vitro kinase assay. PI3-K&#945; activity is measured in vitro by determining the level of phosphorylation of the substrate PI(4,5)P2. The formation of product PI(3,4,5)P3 is monitored by binding to the Grip1 PH domain in a ligand displacement fluorescence polarization (FP) assay, in which the TAMRA-labeled PI(3,4,5)P3 complexed with Grip1 PH domain is displaced by PI(3,4,5)P3 formed in the PI3-K&#945; reaction resulting in a decrease in FP signal. 
6174	1	Enzymatic Assay 	The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have a signal equivalent to 6 times the background noise in 2 h at 37&#176; C. The reaction is carried out in 50 mM Tris buffered medium containing 4% glycerol, pH 7.4. The fluorescent substrate is MCA-Pro-Leu-Ala-Val-(Dpa)-Arg-Ser-Ser-Arg-NH2 (R&D systems, reference: ES003). The substrate is cleaved by the enzyme between the alanine and the valine, thus releasing a fluorescent peptide (excitation: 320 nm, emission: 420 nm). The substrate is used at 40 &#956;M. The reaction is carried out in a final volume of 10 &#956;l (4 &#956;l inhibitor, 4 &#956;l substrate, 2 &#956;l enzyme) in a low volume 384-well plate (Corning reference: 3676). The plate is incubated at ambient temperature for 2 h, and then read by fluorescence on a Pherastar reader (BMG labtech).
6175	1	Inhibition Assay	Zero point five &#956;L of the test compounds (dissolved in N,N&#8242;-dimethylsulfoxide) were incubated with 48.5 &#956;L of the fluorescence-quenched peptide substrate solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&#949;e-amino-n-capronic acid,Eu=Europium cryptate) and 1 &#956;L of recombinant human BACE-1 protein (R&D systems) for 3 h at 30&#176; C. in the 96 well half-area plate (black color plate,Costar). The substrate peptide was synthesized by reacting with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute) and Cryptate TBPCOOH mono SMP (CIS bio international). The final concentration of the substrate peptide and recombinant human BACE-1 protein were 18 nM and 7.4 nM, respectively. The enzymatic reaction was performed in sodium acetate buffer (50 mM sodium acetate (pH 5.0), 0.008% Triton X-100). After the reaction, a 50 &#956;L of 8.0 &#956;g/mL Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer (150 mM K2HPO4KH2PO4 (pH 7.0), 0.008% Triton X-100, 0.8 M KF) was added.
6176	1	Binding Assay	Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH-1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 &#956;g protein) were incubated for 60 min at 25&#176; C. with 1.4 nM of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 &#956;M 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. 
6177	1	Biological Assay	The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initiated by the addition of the combined substrates 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA and incubated with test compounds and microsomal membranes for 2 hours at room temperature. The assay was stopped by adding 0.5 mg wheat germ agglutinin beads in assay buffer with 1% Brij-35 and 1% 3-cholamidopropyldimethyl-ammonio-1-propane sulfonate. Plates were sealed with TopSeal and incubated for 18 hours to allow the radioactive triglyceride product to come into proximity with the bead. 
6178	1	Binding Assay	For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 &#956;g of LS WGA PS beads (Amersham, Cat.#: RPNQ 0260) in 40 &#956;L of assay buffer (RPMI 1640 without phenol red, 50 mM HEPES, 5 mM MgCl2, 1 mM CaCl2, 0.1% BSA). The THP-1 cell/bead mixture was added to each well of a 384-well assay plate (PerkinElmer, Cat. #:6007899) containing test compound in 3-fold serial dilution, with final concentrations ranging from 8 &#956;M to 0.14 nM. A final concentration of 0.1 nM [125I]-MIP-1&#945; (PerkinElmer, Cat. #NEX298) in 20 &#956;L assay buffer was added to the reaction. Unlabeled MIP-1&#945; was added in excess to some wells to determine non-specific binding. Sealed assay plates were incubated at room temperature for 12 h then analyzed by LEADseeker.
7115	1	In Vitro Inhibition Assay	The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0.01% (Sigma S8032), BSA at 0.005% (Sigma A2153), 0.05 mM sodium orthovanadate (Calbiochem 567540). Detection buffer (DB): 50 mM HEPES (pH: 7.0), BSA at 0.1%, 0.8 M KF (Fluka 60239), 20 mM EDTA (Sigma E5134).The peptide used is the one described in Biochemistry, 2005, 44, 8533-8542; A-21-K(biotin)NH.sub.2, obtained from NeoMPS (reference SP081233). All the HTRF reagents Mab PT66-K (61T66KLB) and streptavidin-XL665 (610SAXLB), and the SEB reagent, are purchased from Cisbio.The test is carried out in a 384-well plate (Greiner 784076). The serial dilutions are carried out in pure DMSO, and then an intermediate one-in-three dilution in water is carried out, with 1 microliter of each concentration being distributed, all these operations being performed using the Zephyr apparatus (Caliper Life Sciences).
7131	1	Kinase Assay	MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a substrate. The extent of FITC-labeled histone H3 peptide phosphorylation was measured by immobilized metal ion affinity-based fluorescence polarization (IMAP) technology (Sportsman J R, et al., Assay Drug Dev. Technol. 2: 205-14, 2004) using IMAP FP Progressive Binding System (Molecular Devices Corporation). Test compounds were dissolved in DMSO at 12.5 mM and then serially diluted as the DMSO concentration in the assays to be 1%. The serially diluted compounds, 0.8 ng/micro-L PBK (Carna Biosciences) and 100 nM FITC-labeled histone H3 peptide were reacted in a reaction buffer (20 mM HEPES, 0.01% Tween-20, 0.3 mM MgCl2, 2 mM dithiothreitol, 50 micro-M ATP, pH 7.4) at room temperature for 1 hour. The reaction was stopped by the addition of three fold assay volume of progressive binding solution. Following 0.5 hour incubation at room temperature.
7180	1	Assay for &#945;-Glucosidase Inhibitory Activity	The 135 µL of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 µL), and 20 µL of test sample with 70% DMSO was added to 96-well plate. The samples were incubated for 15 min. Pre-read of the plate was taken after incubation using SpectraMax. substrate (pNPG) (25 µL) was added before final reading was takenat 400 nm on Spectra Max.
7182	1	c-Met Z-LYTE Assay	The c-Met kinase activity of five target compounds and three positive compounds were evaluated using standard Z-LYTE Assays (fluorescence resonance energy transfer, FRET). The test compounds or reference controls were dissolved indimethyl sulfoxide (DMSO) as stock solution. The DMSO solution was serial diluted (duplicated with 3-fold dilution) to make that the concentrations were from 10 µM to 0.17 nM in 11 doses. The enzyme reaction mixture of c-Met Z-LYTE assay contained 2.5 nM c-Met, 1 µM Peptide substrate (Tyr 6) and 17 µM ATP in a buffer containing 50 mM HEPES (pH 7.0), 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA at a final volume of 10 µL. The enzyme reaction were carried out at room temperature in black Proxiplate 384-Plus plate (PerkinElmer) for 90 min. 5 µL of the detectionreagents A (Invitrogen) was added at final concentrations of 64-fold dilution. The plates were incubated at room temperature for 60 min and then read in the Envision plate reader (PerkinElmer).
7142	1	Fluorescence Polarisation Assay	The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.00×10&#8722;8 M in a buffer solution (Hepes 10 mM, NaCl 150 mM, Tween20 0.05%, pH 7.4), in the presence or in the absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.
7160	1	Cell Free Inhibition Assay	The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by determining the concentration of inhibitor at which 50% of the nitrocefin hydrolysis is inhibited by the particular enzyme. Assays are performed with beta -lactamases expressed in the pET system (Novagen, San Diego, Calif.) without signal peptides. They contain an N-terminal hexa-Histidine tag that is used for purification on Ni-NTA (Qiagen, Hilden, Germany). The compounds are prepared as 50 mM stocks in DMSO and diluted into buffer P1 (50 mM phosphate, pH 7) to a final concentration of 10% DMSO. All further dilutions are done in P2 (P1 with 10% DMSO). Enzyme and compound dilutions are pre-incubated for 10 min at 37 C. and the reaction is started with the addition of pre-warmed (37 C.) nitrocefin at a final concentration of 50 mM. The change in absorption at 490 nm is followed at 37 C. for 10 min with 30 s intervals.
7162	1	Biological Assay	The inhibitory activity of the novel conjugates on LPS-induced TNF&#945; production was investigated in vitro using THP-1 macrophages. THP-1 macrophages are a useful system for studying inflammatory processes and serve as a model for peripheral monocytes/macrophages and their responses to bacterial infection.
7163	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molecule is inhibiting binding of one protein to another protein or peptide. Where the Ki for a compound is represented as > (greater than) a certain numerical value, it is intended to mean that the binding affinity value (e.g., for Bcl-XL) is greater than the limits of detection of the assay used. Where the binding selectivity ratio for a compound is represented as > (greater than) a certain numerical value, it is intended to mean that the selectivity of a particular compound for Bcl-2 over Bcl-XL is at least as great as the number indicated. Where the Ki for a compound is represented as < (less than) a certain numerical value, it is intended to mean that the binding affinity value (e.g., for Bcl-2) is lower than the limit of detection of the assay used. Inhibition constants were determined using Wang's equation (Wang Z-X).
7165	1	Inhibition Assay	ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the detection of phosphorylation of the biotinylated peptide, time-resolved fluorescence measurement was performed using an anti-phosphorylated tyrosine antibody labeled with europium cryptate and streptavidin conjugated to XL665, i.e., an allophycocyanin derivative.
6180	1	&#945;-Gal A Assay	For inhibition assay, 0.1% Triton X-100 extracts were mixed with 4-MU substrates ( 5 mM 4-MU &#945;-&#7429;-galactopyranoside and 0.1 M N-acetyl-&#7429;-galactosamine in 0.1 M citrate buffer (pH 4.5)) in absence or presence of increasing concentrations of DGJ derivatives. For heat-induced degradation, extracts were incubated in 0.1 M citrate buffer (pH 7) at 48 &#176;C for the time indicated. The incubation was terminated by adding 0.1 M citrate buffer (pH 4.5). The absorbance was measured at 340 nm and 460 nm.
6181	1	CB1 &amp; 2 Binding Assays	In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5 mM TA, 5 mM MgCl2, 0.5 mg/mL fatty acid free BSA (pH 7.4) and co-incubated with with test compounds at 3 uM, hit compounds at 0.1 nM - 100 uM concentration or vehicle an0.5 nM of [3H]-CP-55940 (168 Ci/mmol) for 2 h at 30 C.
6181	3	FAAH Activity Assay	In this assay, 0.05 Units of hFAAH was pre-incubated for 30 min at 37 C with 2 uL of 11a, 11b, 11f at different concentrations (0.01 - 100 uM) or vehicin 196 uL of assay buffer (10 mM Tris-HCl, 1 mM EDTA (pH 7.6) and 0.1% w/v fatty acid-free BSA). 2 uL of AEA/[3H]-AEA mixture was added to the solution (final concenttion in assay was 10 nM) and incubated for 15 min at 37 C.
6181	2	COX-2 Activity Assay	Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (100 mris-HCl, pH 8), 1 uM of COX-FIS heme hCOX-2 FIS assay agent and 30 uM of ADHP (10-acetyl-3,7-dihydroxyphenoxazine) fluorometric substrate for 15 min at room temperature. The reaction was initiated by the addition of arachidonic acid (AA) or AEA to a final concentration of 10 uM. Fluorescence signals were measured after 2 min of incubtion at 535 and 580 nm.
6182	1	PvdQ IC50 Assay	The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 &#181;M with PvdQ concentration of 20 nM. The positive control, isopropyl dodecylfluorophosphonate (IDFP), was added in 24 selective wells to a final concentration of 200 &#181;M. The assay plates were initially read at time = 0 and then incubated for 60 min at RT. The plates were read again at time = 60 min.
6183	1	In vitro Inhibition Assay	Assays are performed for 15 min at 30 &#176;C, with 50 &#181;M of P33-ATP in a final volume of 25 &#181;L. The assays are terminated by spotting 20 &#181;L of the reaction mixture onto a phosphocellulose P81 plate. The P81 plate was washed 3 times for ~15 min each in a 1% phosphoric acid solution to remove excess unreacted P33-ATP.
6184	1	Counterscreen for exosite inhibitors of ADAM10: QFRET-based biochemical high throughput dose response assay to identify inhibitors of ADAM17	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecular Sciences (TPIMS) Assay Provider: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA033985-01 Grant Proposal PI: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) External Assay ID: ADAM17_INH_QFRET_1536_3IC50 DCSRUN for ADAM10_INH Name: Counterscreen for exosite inhibitors of ADAM10: QFRET-based biochemical high throughput dose response assay to identify inhibitors of ADAM17 Description: Approximately 20-30% of breast cancer patients have tumors that over-express human epidermal growth factor receptor (HER2), which confers an aggressive tumor phenotype and poor prognosis [1-3]. A Disintegrin and Metalloprotease (ADAM) proteases are responsible for amplification of HER2 signaling due to either c
6185	1	QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM10.	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecular Sciences (TPIMS) Assay Provider: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA033985-01 Grant Proposal PI: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) External Assay ID: ADAM10_INH_QFRET_1536_3XIC50 DRUN Name: QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM10. Description: Approximately 20-30% of breast cancer patients have tumors that over-express human epidermal growth factor receptor (HER2), which confers an aggressive tumor phenotype and poor prognosis [1-3]. A Disintegrin and Metalloprotease (ADAM) proteases are responsible for amplification of HER2 signaling due to either cleavage of its extracellular domain or release of HER2
6186	1	Counterscreen for exosite inhibitors of ADAM17: Fluorescence resonance energy transfer (FRET)-based biochemical high throughput dose response assay to identify inhibitors of ADAM10	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecular Sciences (TPIMS) Assay Provider: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA033985-01 Grant Proposal PI: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) External Assay ID: ADAM10_INH_QFRET_1536_3XIC50 INH DCSRUN for ADAM17 INH Name: Counterscreen for exosite inhibitors of ADAM17: Fluorescence resonance energy transfer (FRET)-based biochemical high throughput dose response assay to identify inhibitors of ADAM10. Description: Approximately 20-30% of breast cancer patients have tumors that over-express human epidermal growth factor receptor (HER2), which confers an aggressive tumor phenotype and poor prognosis [1-3]. A Disintegrin and Metalloprotease (ADAM) proteases are responsible for a
6187	1	QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecular Sciences (TPIMS) Assay Provider: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA033985-01 Grant Proposal PI: Dmitriy Minond, Torrey Pines Institute for Molecular Sciences (TPIMS) External Assay ID: ADAM17_INH_QFRET_1536_3XIC50 INH DRUN Name: QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17. Description: Approximately 20-30% of breast cancer patients have tumors that over-express human epidermal growth factor receptor (HER2), which confers an aggressive tumor phenotype and poor prognosis [1-3]. A Disintegrin and Metalloprotease (ADAM) proteases are responsible for amplification of HER2 signaling due to either cleavage of its extracellular domain or release of H
6188	1	Epi Absorbance-based biochemical high throughput dose response assay to identify inhibitors of human tyrosyl-DNA phosphodiesterase 2 (TDP2)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TSRI) Assay Provider: Sanjay Adhikari, Georgetown University Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 DA035193-01A1 Grant Proposal PI: Sanjay Adhikari External Assay ID: TDP2_INH_EPIABS_1536_3XIC50 DRUN Name: Epi Absorbance-based biochemical high throughput dose response assay to identify inhibitors of human tyrosyl-DNA phosphodiesterase 2 (TDP2). Description: The TopoisomeraseII (TopII) family is an important class of topoisomerases that produces transient 5&#39;DNA-protein crosslinks [1, 2]. Drugs targeting these enzymes act by stabilizing the crosslinks, producing a covalent DNA-protein complex [3, 4]. Despite their clinical efficacy, drugs that target TopII (TopII poisons) may lead to negative side-effects, including secondary malignancies. The repair of TopII-DNA complexes is
6189	1	Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-B3)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Assay Provider: Qisheng Zhang, University of North Carolina at Chapel Hill Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R01GM098894 Grant Proposal PI: Qisheng Zhang, University of North Carolina at Chapel Hill External Assay ID: PLCB3_INH_QFRET_1536_3XIC50 DRUN Name: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-B3). Description: Extracellular stimuli including hormones, growth factors, and neurotransmitters promote activation of phospholipase C (PLC) isozymes and cleavage of the membrane lipid phosphatidylinositol 4,5- bisphosphate (PtdIns(4,5)P2) into the classical second messengers, diacylglycerol and inositol 1,4,5- trisphosphate (IP3) [1]. These second messengers coordinately control numerous signaling cascades
6190	1	Counterscreen for inhibitors of phospholipase C isozymes (PLC-B3): Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-gamma1)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Assay Provider: Qisheng Zhang, University of North Carolina at Chapel Hill Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R01GM098894 Grant Proposal PI: Qisheng Zhang, University of North Carolina at Chapel Hill External Assay ID: PLCG1_INH_QFRET_1536_3XIC50 DCSRUN for PLCB3 INH Name: Counterscreen for inhibitors of phospholipase C isozymes (PLC-B3): Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-gamma1). Description: Extracellular stimuli including hormones, growth factors, and neurotransmitters promote activation of phospholipase C (PLC) isozymes and cleavage of the membrane lipid phosphatidylinositol 4,5- bisphosphate (PtdIns(4,5)P2) into the classical second messengers, diacylglycerol and inositol 1,4,5- trisphosph
6192	1	QFRET-based biochemical high throughput dose response assay to identify inhibitors of human group III secreted phospholipase A2 enzyme (HGIII-sPLA2)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Michael H. Gelb, University of Washington Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number R37HL036235 Grant Proposal PI: Michael H. Gelb, University of Washington External Assay ID: HGIII-SPLA2_INH_QFRET_1536_3XIC50 DRUN Name: QFRET-based biochemical high throughput dose response assay to identify inhibitors of human group III secreted phospholipase A2 enzyme (HGIII-sPLA2). Description: Phospholipases A2 (PLA2s) are a class of enzymes that hydrolyze the sn-2 ester of glycerophospholipids to release a free fatty acid and a lysophospholipid [1]. Secreted PLA2s (sPLA2s) have been implicated in the pathogenesis of inflammatory disease in humans. Inhibitors of many of the sPLA2s in the human and mouse genome have been made, but to date no inhibitor of human group III sPLA2 (hGIII-sPLA2) has been
6193	1	Late stage Counterscreen for the probe development effort to identify agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_ACT_LUMI_1536_3XEC50 MDCSRUN (HTR2A) Serotonin (5-hydroxytryptamine; 5-HT) is an abundant neurotransmitter synthesized from the essential amino acid L-tryptophan and plays a significant role in appetite, platelet aggregation, pain perception, sleep, hormone secretion, sexual behavior, and thermoregulation. Serotonin mediates much of its actions by binding to and activating G
6194	1	Late stage for the probe development effort to identify agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A)	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assay Provider: Laura Bohn Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: DA025158-01A1 Grant Proposal PI: Laura Bohn External Assay ID: HTR2A_ACT_LUMI_1536_3XEC50 MDRUN Name: Late stage for the probe development effort to identify agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A) Description: Serotonin (5-hydroxytryptamine; 5-HT) is an abundant neurotransmitter synthesized from the essential amino acid L-tryptophan and plays a significant role in appetite, platelet aggregation, pain perception, sleep, hormone secretion, sexual behavior, and thermoregulation. Serotonin mediates much of its actions by binding to and activating G pr
6195	1	TRFRET-based biochemical high throughput dose response assay to identify inhibitors of 5-meCpG-binding domain protein 2 (MBD2)-DBD binding to methylated oligonucleotide	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provider: Bill Nelson Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: 1 R03 MH098712-01 Grant Proposal PI: Bill Nelson External Assay ID: MBD2-CPGDNA_INH_TRFRET_1536_3XIC50 DRUN Name: TRFRET-based biochemical high throughput dose response assay to identify inhibitors of 5-meCpG-binding domain protein 2 (MBD2)-DBD binding to methylated oligonucleotide. Description: Of all the somatic genome changes that accumulate during the pathogenesis of human cancers, only changes in DNA methylation appear to occur consistently (virtually all cases), to arise early (first appearing in preneoplastic lesions), and to be potentially reversible (the DNA sequence remains intact) (1-4). One such change in DNA methylation, increased CpG dinucleotide methylation at CpG islands encompassing the transcriptional regulatory r
6196	1	Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn6) to the fibrin proteolytic product D-Dimer	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachusetts General Hospital Assay Provider: Peter Caravan, Harvard Medical School/Massachusetts General Hospital Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS075627 Grant Proposal PI: Peter Caravan, Harvard Medical School/Massachusetts General Hospital External Assay ID: FIBRIN-TN6_INH_FP_1536_3XIC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn6) to the fibrin proteolytic product D-Dimer and fragment E complex [DD(E )]. Description: Fibrin is an insoluble biopolymer that is formed by the proteolytic action of thrombin on the clotting factor fibrinogen. It constitutes the major protein component of blood clots and is generally associated with pathologies such as ischemic stro
6197	1	Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn7) to the fibrin proteolytic product D-Dimer	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachusetts General Hospital Assay Provider: Peter Caravan, Harvard Medical School/Massachusetts General Hospital Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS075627 Grant Proposal PI: Peter Caravan, Harvard Medical School/Massachusetts General Hospital External Assay ID: FIBRIN-TN7_INH_FP_1536_3XIC50 DRUN Name: Fluorescence polarization-based biochemical high throughput dose response assay to identify inhibitors that disrupt the binding of a cyclic peptide (Tn7) to the fibrin proteolytic product D-Dimer and fragment E complex [DD(E )]. Description: Fibrin is an insoluble biopolymer that is formed by the proteolytic action of thrombin on the clotting factor fibrinogen. It constitutes the major protein component of blood clots and is generally associated with pathologies such as ischemic stro
6198	1	Dose Response confirmation of small molecule inhibitors originally identified via uHTS  of Artemis endonuclease activity via a fluorescence intensity assay	Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA) Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Number: 1 R03 MH095489-01A1 Assay Provider: Michael Lieber, M.D., Ph.D., University of Southern California, Los Angeles, CA Nonhomologous DNA end joining (NHEJ) is the primary DNA repair pathway in human cells for the repair of double-strand DNA breaks. Like most DNA repair pathways, NHEJ relies on three enzyme activities: a nuclease to remove damaged DNA, polymerases to fill-in new DNA, and a ligase to restore DNA strand integrity. The primary nuclease for NHEJ is Artemis, which is activated when a protein kinase called DNA-PKcs makes contact with a double-stranded DNA end at a chromosomal break site. Artemis is an endonuclease which nicks the DNA at transitions between single- and double-stranded DNA. It is very important for repairing a critical subset o
6205	1	Counterscreen for inhibitors of LEDGF/p75-dependent integration: TR-FRET-based biochemical high throughput dose response counterscreen assay to identify activators of HIV-1 Integrase multimerization	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mamuka Kvaratskhelia, Ohio State University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 AI081581 Grant Proposal PI: Mamuka Kvaratskhelia, Ohio State University External Assay ID: INTEGRASE_ACT_TRFRET_1536_3XEC50 DCSRUN Name: Counterscreen for inhibitors of LEDGF/p75-dependent integration: TR-FRET-based biochemical high throughput dose response counterscreen assay to identify activators of HIV-1 Integrase multimerization. Description: HIV-1 integrase (IN) is an important therapeutic target in the fight against AIDS as its function is essential for viral replication. Multimeric IN catalyzes pair-wise integration of the linear viral DNA ends in a two-step reaction. The main novelty of the current approach is to discover new probes that stabilize functionally compromised IN multimers rather t
6206	1	TR-FRET-based biochemical high throughput dose response assay to identify inhibitors of HIV-1 LEDGF/p75 DNA Integration	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mamuka Kvaratskhelia, Ohio State University Network: Molecular Library Probe Production Centers Network (MLPCN) Grant Proposal Number: R01 AI081581 Grant Proposal PI: Mamuka Kvaratskhelia, Ohio State University External Assay ID: LEDGF-p75_INH_TRFRET_1536_3XIC50 DRUN Name: TR-FRET-based biochemical high throughput dose response assay to identify inhibitors of HIV-1 LEDGF/p75 DNA Integration. Description: HIV-1 integrase (IN) is an important therapeutic target in the fight against AIDS as its function is essential for viral replication. Multimeric IN catalyzes pair-wise integration of the linear viral DNA ends in a two-step reaction. The main novelty of the current approach is to discover new probes that stabilize functionally compromised IN multimers rather than interfere with IN multimerization (referred to as MINIs [multimeric IN inhibi
6207	1	GST-LSD1 Enzymatic Assays	Reactions (100 &#181;L) were initiated by the addition of 2 &#181;L of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM HEPES (pH 7.5), 0.1 mM 4-aminoantipyrine, 1 mM 3,5-dichloro-2-hydroxybenzenesulfonic acid, 0.04 mg/mL horseradish peroxidase, and appropriate concentration of buffered substrate (dimethyl-Lys-4- H3-21, ARTKme2QTARKSTGGKAPRKQLA). Absorbance changes were measured at 515 nm.
6207	2	MAO-A/B Activity and Inhibition Assay	Reactions (100 &#181;L) were initiated by the addition of 2 &#181;L MAO-A/B (final concentrations were 100-200 nM and 0.837 &#181;M for MAO-A and MAO-B, respectively). The reaction mixtures contained 50 mM HEPES (pH 7.5), 0.1 mM 4-aminoantipyrine, 1 mM 3,5-dichloro-2-hydroxybenzenesulfonic acid, 0.04 mg/mL horseradish peroxidase, and appropriate concentration of buffered substrate (tyramine). Absorbance changes were measured at 515 nm.
6208	1	Microtubule-activated ATPase Kinetic Assay	The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer&#39;s instructions.  Reactions were initiated by the addition of ATP and were read every 30 s at 360 nm for a total of 20 min.
6209	1	MAO Enzyme Assays	The buffer system used was a 0.1 M phosphate buffer (pH 7.4). The assays were carried out in a fluorescent 96-well plate. The final concentrations of MAO-A and MAO-B were 6 &#181;g/mL and 15 &#181;g/mL, respectively. The final concentration of kynuramine was 40 &#181;M for MAO-A or 20 &#181;M for MAO-B. The compounds (10 mM stock solution in DMSO; less than 2% (v/v) final concentration of DMSO in the assay) were incubated with MAO and the substrate for 20 min, and quenched with the addition of 2 N NaOH.
6210	1	UT-A1 Inhibition Assay	The urea concentration dependence of UT-A1 inhibition was studied from inhibitor concentration response data (0.3 - 60 &#181;M) using different of urea gradients (200 - 1,600 mM). The kinetics of UT-A1 inhibition was measured by adding inhibitors (3 &#181;M) at different times prior to assay.
6210	2	UT-B Inhibition Assay	Erythrocyte suspension (100 &#181;L) was added to each well of a 96-well microplate to which test compounds were added. After 15 min incubation, 20 &#181;L of the erythrocyte suspension was added to each well of a 96-well plate containing 180 &#181;L PBS containing 1% DMSO, followed by vigorous mixing.  The absorbance was measured at 710 nm.
6211	1	Enzyme Inhibition Assay	An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 &#956;L of serial diluted PDE10A (BPS Bioscience, San Diego, Calif.) or tissue homogenate was incubated with equal volumes of diluted fluorescein labeled cAMP or cGMP for 60 min in 384-well polystyrene assay plates (Corning, Corning, N.Y.) at room temperature. After incubation, the reaction was stopped by adding 60 &#956;L of diluted binding reagents and was incubated for 3 hours to overnight at room temperature. The plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer. 
6212	1	mTOR Kinase Activity Assay	The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
6212	2	Filter-Binding-Assay	PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
6213	1	ORL-1 Receptor Binding Assay	ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Receptor Biology) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000&#215;g for 15 min at 4&#176; C. and pellets resuspended in hypotonic buffer to a final concentration 1-3mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of the ORL-1 receptor membranes were stored at &#8722;80&#176; C.
6213	2	&#956;-Opioid Receptor Binding Assays	&#956;-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/well in a final volume of 500 &#956;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 h at about 25&#176; C. 
6213	3	&#954;-Opioid Receptor Binding Assays	&#954;-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000&#215;g for 15 min at 4&#176; C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. 
6213	4	 &#948;-Opioid Receptor Binding Assays	&#948;-Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant delta opioid receptor expressend in CHO-K1 cells; Perkin Elmer) in a final volume of 5004 binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25&#956;m M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25&#176; C. 
6214	1	Inhibition Assay	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-1 activity as a function of the test compound concentration.
6214	2	Inhibition Assay	Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-2 activity as a function of the test compound concentration.
6215	1	&#946;-Secretase-Inhibiting Activity	48.5 &#956;L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&#949;-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Corning Incorporated), and after addition of 0.5 &#956;l of the test sample (dissolved in N,N&#8242;-dimethylformaldehyde) and 1 &#956;l of Recombinant human BACE-1 (R&D Systems), the reaction mixture was incubated at 30&#176; C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE-1 were adjusted to 18 nM and 7.4 nM respectively, and the reaction was performed in sodium acetate buffer (50 mM sodium acetate, pH 5.0, 0.008% Triton X-10).
6216	1	Scintillation Proximity Assay	The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate (SPA manual, Amersham Biosciences). Purified human PDE7A and PDE7B (obtained from BPS Bioscience, San Diego, Calif.) were diluted and stored in a solution containing 25 mM Tris-Cl (pH 8.0), 100 mM NaCl, 0.05% Tween 20, 50% glycerol, and 3 mM DTT. PDE7 assays were carried out in the following reaction mixture (final concentrations): 50 mM Tris-Cl (pH 8.0), 8.3 mM MgCl2, 1.7 mM EGTA, 0.5 mg/ml BSA, 5% DMSO (except for OM056 which was in 2.5% DMSO) and 2 ng PDE7A or 0.2 ng PDE7B recombinant protein in a final volume of 0.1 mL.
6217	1	JAK1 and TYK2 Inhibition Assay	To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 25 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22 ° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer's specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969).
6217	2	JAK2 Inhibition Assay	To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 &#956;M peptide substrate, 25 &#956;M ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22&#176; C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 250 &#956;L of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model. Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979).
6217	3	JAK3 Inhibition Assay	To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 5 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22&#176; C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979)).
6218	1	Enzyme Assay	P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) is mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction is incubated for 90 min at 25&#176; C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide is analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700 respectively.
6218	2	Enzyme Assay	The Aurora assays described here are performed on two Caliper Life Sciences systems: the LC3000 and the Desktop Profiler. These provide data on enzyme activity via measurement of the relative amounts of phosphorylated or unphosphorylated fluorescently labelled substrate peptide at the end of an enzymatic reaction. These different states of peptide are resolved by applying a potential difference across the sample. The presence of the charged phosphate group on the product (as opposed to the substrate) causes a different peptide mobility between the two peptides. This is visualized by excitation of the fluorescent label on the substrate and product peptides and represented as peaks within the analysis software.
6218	3	Enzyme Assay	The kinase assay is performed as 384-well Flashplate assay (PerkinElmer LAS Germany GmbH). 3.4 nM His6-PDK1(Delta 1-50) (PDK1 that has a His-tag consisting of six histidines and lacks the first fifty amino acids), 400 nM PDKtide (Biotin-bA-bAKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as the substrate, and 4 &#956;M ATP (spiked with 0.25 &#956;Ci 33P-ATP/well) are incubated in a total volume of 50 &#956;l (50 mM TRIS, 10 mM Mg-acetate, 0.1% Mercaptoethanol, 0.02 Brij35, 0.1% BSA, pH 7.5) with or without test compound (5-10 concentrations) for 60 Min at 30&#176; C. The reaction is stopped with 25 &#956;l 200 mM EDTA. After 30 Min at room temperature the liquid is removed and each well washed thrice with 100 ml 0.9% sodium chloride solution. Nonspecific reaction is determined in presence of 100 nM of the high affinity protein kinase inhibitor Staurosporine. Radioactivity is measured in a Topcount (PerkinElmer LAS Germany GmbH).
6219	1	Radioligand Binding Assays 	Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2, and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under vacuum pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvestor.
6220	1	Inhibition Assay	The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.
6221	1	Competitive Assay	The PI3 Kinase Activity/Inhibitor Assay is a competitive assay used for the fast and sensitive quantitation of activity of the four class I PI3 kinases (p110 &#945;, &#946;, &#947;, &#948;). The PI3 Kinase Activity/Inhibitor Assay works on the principle that PI3 Kinase phosphorylates P1(3,4)P2 (PIP2), converting it to PI(3,4,5)P3 (PIP3). The PH domain of the protein GRP-1 binds PIP3 with high affinity and specificity. The kit includes this recombinant protein that is used as the capture protein. This protein binds to the glutathione plate and captures either the PIP3 generated as part of the kinase reaction or the biotinylated-PIP3 tracer included in the kit. The captured biotinylated-PIP3 is detected using streptavidin-HRP conjugate and a colorimetric read out (OD 450). The lower the signal, the higher the PI3 Kinase activity.
6222	1	BIOMOL Fluorescent-Based Assay	The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assay buffer, containing 25 mM Tris pH 7.5, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/ml BSA, tested compounds, an appropriate concentration of HDAC1 enzyme, 500 uM Flur de lys generic substrate for HDAC1 enzyme and subsequently was incubated at room temperature for 2 h. Flur de lys Developer was added and the reaction was incubated for 10 min. Briefly, deacetylation of the substrate sensitizes it to the developer, which then generates a fluorophore. The fluorophore is excited with 360 nm light and the emitted light (460 nm) is detected on a fluorometric plate reader (Tecan Ultra Microplate detection system, Tecan Group Ltd.).
6223	1	kinase Assay	The final concentration of DMSO is 5%. 10 &#956;L of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 mM Tris-HCl pH 7.5, 0.1 mM EDTA, 0.1 mM EGTA, 0.286 mM sodium orthovanadate, 10% glycerol, 1 mg/mL bovine serum albumin, 1 mM dithiothreitol) and the mixture is incubated for 24 h at RT under with shaking. The kinase reaction is started by the addition of 20 &#956;L ATP solution [final concentration: 250 &#956;M ATP, 30 mM Tris-HCl pH 7.5, 0.02% Brij, 0.2 mM sodium orthovanadate, 10 mM magnesium acetate, 0.1 mM EGTA, phosphatase cocktail (Sigma, # P2850, dilution recommended by the manufacturer), 0.1 mM EGTA] and 10 &#956;L MEK1 solution [containing 50 ng biotinylated MEK1 (prepared from purified MEK1 according to standard procedure, e.g. with EZ-Link Sulpho-NHS-LC-Biotin reagent, Pierce, #21335) and carried out for 60 min at RT with constant shaking. 
6224	1	Inhibition Assay	Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the solution containing 50 mM Tris-HCl (pH 7.5), 0.1 mM DTT, 0.25 mM NAD+, 10 &#956;g of purified 15-PGDH enzyme, 21 &#956;M PGE2 and various concentrations (0.0001 &#956;M to 64 &#956;M) of the derivatives according to the present invention was added to each cell. The absorbance of the reaction mixture was recorded at 340 nm so that the activities of the derivatives according to the present invention as 15-PGDH inhibitors were determined from a standard curve prepared from the absorbance of various concentrations of NADH at 340 nm.
6225	1	Inhibition Assay	Compounds are screened for their ability to inhibit the phosphorylation of tyrosine (TYR) residues through the use of western blotting of Jurkat cells dosed with the compounds. The phosphorylation of the specific TYR residues tested are GSK3&#945; TYR 279 and GSK3&#946; TYR 216.
6226	1	Binding Assay	The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
6227	1	Binding Assay	cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mol. Cell. Biol. 8, 466-472). The obtained expression vector was transfected into CHO cells as a host according to the instruction manual using Lipofectamine reagent (Trademark, Gibco BRL Co., Ltd.). The cells that stably express NPY Y5 receptor were obtained.The membrane samples prepared from the CHO cells expressing NPY Y5 receptor, the compound of the invention and 30,000 cpm 125I peptide YY (60 pM of final concentration: Amersham) were incubated in the assay buffer (20 mM HEPES-Hanks buffer containing 0.1% bovine serum albumin, pH 7.4) at 25&#176; C. for 2 hours. The membrane samples were then filtered from the mixture through a glassfilter (GF/C) presoaked with 1% polyethyleneimine. After washing with 50 mM Tris-HCl buffer (pH 7.4), radioactivity retained on the filters was determined using gamma counter. 
6228	1	ALDH2 Assay	Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH 7.4, 0.01% Tween 20 in a final volume of 50 ul using 384-well plates. After 60 min of pre-incubation of compound with ALDH2 and formaldehyde, the reaction was started by adding NAD+ and the reaction mixture was allowed to proceed for 90 minutes. Activity of the enzyme was determined by monitoring NADH formation using Perkin-Elmer Envision Reader with excitation and emission wavelengths set at 340 and 460 nm, respectively.
6228	2	MAO-A and MAO-B Assays	MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reaction mixtures included microsome contained MAO-A (2 ug) or MAO-B (10 ug), 160 uM substrate for MAO-A or 16 uM substrate for MAO-B, MAO-A buffer (100 mM Hepes buffer, pH 7.5, 5% glycerol) or MAO-B buffer (100 mM Hepes, pH 7.5, 5% glycerol, 10% dimethyl sulfoxide) in a final volume of 30 ul. After 20 minutes of pre-incubation of the enzyme with compounds, the reaction was initiated by adding enzyme substrate and the reaction was allowed to proceed for 60 minutes. Reconstituted Luciferin Detection Reagent (30 ul) was then added is added to simultaneously stop the MAO reaction and convert the methyl ester derivative to luciferin and produce light. The amount of light produced is directly proportional to the activity of MAO.
6229	1	Enzyme Assay	Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 &#956;l per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 &#956;M and 6 &#956;g/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase &#948;. Refer to the patent for more info.
6230	1	Inhibition Assay	Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF is hydroxylated on a conserved prolyl radical. It is the basis for the biochemical determination of HIF prolyl hydroxylase activity. The test is carried out as described [Oehme F., Jonghaus W., Narouz-Ott L., Huetter J., Flamme I., Anal. Biochem. 330 (1), 74-80 (2004)].
6231	1	Biological Assay	The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB SB674042 (1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Langmead et al., British Journal of Pharmacology 2004, 141:340-346) and [3H]EMPA (N-ethyl-2[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmethyl acetamide) (Malherbe et al., British Journal of Pharmacology, 2009, 156(8), 1326-1341), respectively.  The in vitro functional antagonism of the compounds on the human orexin-1 and orexin-2 receptors was determined using fluorometric imaging plate reader (FLIPR) based calcium assays.
6232	1	Enzyme Assay	The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme.  47 &#956;l of recombinant human mPGES-1 (0.5 &#956;g protein/well) containing microsomal suspension in a buffer containing GSH, (2.5 mmol/L L-Glutathione reduced, dissolved in 0.1 mol/L Phosphat Buffer pH 7.4) is dispensed in a 384-well plate and thereafter 1 &#956;l of the test compound(s) is/are added and incubated for 25 minutes at room temperature. The enzyme reaction is started by the addition of 2 ul PGH2 (final conc 2 &#956;M) disolved in water-free Diglyme. After 60 seconds the reaction is terminated by addition of a stop solution containing FeCl2 (10 &#956;L 0.074 mol/l FeCl2). The samples are diluted between 1:25 in PBS (Phosphate Buffered Saline). 10 &#956;l of the diluted samples are transferred to 384-well low volume plate.
6233	1	Fluorescence Polarization Competition Assay	A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-1R555-568 peptide (SYEGNSYTFIDPTQ). The assay was performed in black 96-well microplates (Cat #42-000-0117, Molecular Devices, Sunnyvale, Calif.). To each well, 5 &#956;L of compound (in 4% DMSO) were mixed with 2 &#956;L of 3.5 nM CSF-1R, 25 mM MgCl2 in assay buffer (100 mM HEPES (hydroxyethylpiperazineethylsodiumsulfonate), pH 7.5, 1 mM DTT (dithiothreitol), 0.01% Tween-20), and 2 &#956;L of 1540 &#956;M peptide in assay buffer. The kinase reaction was initiated by adding 1 &#956;L of 10 mM ATP in assay buffer. The final concentrations in the 10 uL reaction mixture were 100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20, 2% DMSO, 308 &#956;M SYEGNSYTFIDPTQ, 1 mM ATP, 5 mM MgCl2, and 0.7 nM CSF-1R.
6235	1	Electrophoretic Mobility Shift Assays (EMSAs)	E3330 or E3330-amide was preincubated with 2 &#956;L of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with 0.2 mM DTT in PBS) in an EMSA reaction buffer that consisted of 10 mM Tris (pH 7.5), 50 mM NaCl, 1 mM MgCl2, 1 mM EDTA, and 5% (v/v) glycerol in a total volume of 16 &#956;L for 30 min.
6236	1	Inhibitory Potency Assays	The inhibitory potency of compounds GS4-GS8 on the 7-benzyloxy-4-(trifluoromethyl)coumarin hydroxylase activity of CYP3A4 was evaluated according to a previously reported procedure.
6236	2	Spectral Binding Titrations	Ligand binidng to CYP3A4 was monitored in 50 mM phosphate (pH 7.4) containing 20% glycerol and 1 mM DTT. The protein was titrated with small aliquots of DMSO solutions of GS4, GS5, GS6, GS7, or GS8 with the final solvent concentration < 2%.
6237	1	Enzyme Activity Assays	Enzyme activity assays of recombinant hGAR Tfase and recombinant hAICAR Tfase were performed as previously described. Kinetics of the enzyme reactions were monitored for 2 min after reaction initiation.
6238	1	FAS Assay No1	Inhibition of FAS by benzimidazole was measured by an endpoint assay for NADPH consumption.
6238	2	FAS Assay No2	Inhibition of FAS by GSK2194069 was measured by an endpoint assay for thiols using a fluorescent maleimide.
6239	1	Radioligand Binding Assay	The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. 
6239	2	Radioligand Binding Assay	The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand.
6240	1	Time Resolved Fluorescence Assay	The conversion of cortisone to the active steroid cortisol by 11&#946;HSD1 oxo-reductase activity, can be measured using a competitive homogeneous time resolved fluorescence assay (HTRF) (CisBio International, R&D, Administration and Europe Office, In Vitro Technologies HTRF/Bioassays BP 84175, 30204 Bagnols/C&#232;ze Cedex, France. Cortisol bulk HTRF kit: Cat No. 62CORPEC).
6241	1	Enzyme Inhibition Assay	The inhibition of PI3K&#946;, PI3K&#945;, PI3K&#947; and PI3K&#948; was evaluated in a Kinase Glo based enzyme activity assay using human recombinant enzymes. The assay measures depletion of ATP after incubation with enzyme, PIP2 and ATP plus compound. ATP at the end of the reaction is detected by addition of Kinase Glo reagent, in this the Ultra Glo luciferase (Promega) uses the ATP as a substrate to catalyze the mono-oxygenation of luciferin and the generation of light. A direct relationship exists between the luminescence measured with the Kinase-Glo Plus Reagent and the amount of ATP remaining in a completed kinase reaction and luminescence is inversely related to kinase activity.
6242	1	Kinase Assay	FLT3 kinase assay was obtained from Claiper Life Sciences (Catalog #200-0423). The assay was carried out with human recombinant FLT3 (0.287 nM), fluoresce in labeled peptide substrate (with a peptide sequence of EAIYAAPFAKKK, 1.5 &#956;M) and test compounds (in serial dilution) using 384-well plates, quantified by Caliper technology. Kinase reaction was performed in 100 mM HEPES, pH 7.5, 4% DMSO, 0.003% Brij-35, 0.004% tween, 10 mM MgCl2, and 100 &#956;M ATP (for IC50 determination), incubated at 28&#176; C. for 90 minutes. After incubation, the reaction product was analyzed by electrophoretic mobility shift run on Caliper by manufacturer&#39;s protocol.
6243	1	Biological Assays	The SGLT2 functional assay was designed to detect the inhibition of methyl-alpha-D glucopyranoside (AMG a non-metabolizable form of glucose) uptake via the SGLT2 transporter. The SGLT2 transporter recovers glucose from the proximal tubules of the kidney; its inhibition results in sugar wasted in the urine. The positive control compound, Phlorizin, is a known inhibitor of glucose uptake for SGLT2 and was used for comparing the high percent effect of SGLT2 inhibition of the test compounds.
6244	1	Binding Assay	PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO.
6245	1	Enzyme Activity Assay	The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibitor test compounds. Recombinant human and mouse PrCP enzymes from CHO or HEK expression systems (with comparable results for HEK enzymes) were prepared in-house and used in the assay. The assay was run on a Perkin Elmer Envision 2103 plate reader using a 320 nm excitation filter and a 405 emission filter. The assay was performed using a Hamilton Star liquid handling workstation. The assay employed the internally quenched fluorescent substrate (1S)-1-carboxy-5-[(2,4-dinitrophenyl)amino]pentyl N-[(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]-L-alanyl-L-prolinate prepared in house.
6246	1	Binding Assay	The ability of a test compound to bind to the P2Y12 receptor was evaluated in a recombinant cell membrane binding assay. In this competitive binding assay, the test compound competed against a radiolabeled agonist for binding to the P2Y12 receptor, expressed on the cell membrane. Inhibition of binding of the labeled material was measured and correlated to the amount and potency of the test compound. This binding assay is a modification of the procedure described by Takasaki, J. et. al, Mol. Pharmacol., 2001, Vol. 60, pg. 432.
6247	1	Binding Assay	Measurement of EP2 receptor binding affinity was carried out according to the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (2000)). A test compound dissolved in dimethylsulfoxide and [3H]PGE2 (NET-428, available from PerkinElmer Inc.) (final concentration: 10 nM) were added to a buffer solution (10 mM MES-KOH (pH 6.0), 10 mM MgCl2, 1 mM EDTA) in which 10 &#956;g of a membrane fraction (ES-562-M, available from Euroscreen S.A.) of HEK293 cells expressing human EP2 receptor had been suspended, followed by incubation at 30&#176; C. for 60 minutes. The membrane fraction was recovered on glass fiber filter paper (GF/B, available from Whatman PLC) using a cell harvester (M30R, available from Brandel Inc.), and after washing with a buffer solution (10 mM MES-KOH (pH 6.0), 10 mM MgCl2), radioactivity was measured with a liquid scintillation analyzer (2000CA, available from Packard).
6248	1	Radioligand Binding Assay:	The radioligand EP4 binding assay was performed using ChemiScreen recombinant human EP4 receptor membrane preparations from Millipore, according to manufacturer&#39;s instructions. Briefly, membranes prepared from Chem-1 cells overexpressing human EP4 cDNA (Millipore) were mixed with 1.8 nmol.L&#8722;1 [3H]-PGE2 and 5 &#956;mol.L&#8722;1 unlabelled PGE2 in the presence or absence of various concentrations of testing compounds in binding buffer (50 mmol.L&#8722;1 HEPES, pH 7.4, 5 mmol.L&#8722;1 MgCl2, 1 mmol.L&#8722;1 CaCl2, 0.2% BSA) in a nonbinding 96-well plate, and incubated for 1-2 h at room temperature. Prior to filtration, a GF/C 96-well filter plate was coated with 0.33% polyethyleneimine for 30 min, then washed with 50 mmol.L&#8722;1 HEPES, pH 7.4, 0.5% BSA. Binding reactions were transferred to the filter plate, and washed 3 times with Wash Buffer (1 mL per well per wash).
6249	1	Cell Response Assay	The rat EP1 receptor-expressing cells were washed with the assay buffer. 100 &#956;L of a fluorescent calcium indicator (Fluo-4 NW Calcium Assay Kit (Molecular Probes).  The intracellular calcium concentration was measured as a fluorescent signal using FlexStation (registered trademark) (manufactured by Molecular Devices). 50 &#956;L of each test compound that had been diluted with the assay buffer (final concentrations: 1 nM to 10 &#956;M) was added to each well after 20 seconds from initiating the reading of the fluorescent signal, and the fluorescence signal was measured for 60 seconds. Then, 50 &#956;L of a prostaglandin E2 buffer solution was added to each well (final concentration 10 nM) and the fluorescence signal was measured for 60 seconds.
6249	2	Cell Response Assay	The rat EP1 receptor-expressing cells were washed with the assay buffer. 100 &#956;L of a fluorescent calcium indicator (Calcium kit II, Fluo 4 (Dojindo Laboratories).The intracellular calcium concentration was measured as a fluorescent signal using FDSS (registered trademark) 7000 (manufactured by Hamamatsu Photonics K. K.). 50 &#956;L of each test compound (final concentrations: 1 nM to 10 &#956;M) was added to each well after 20 seconds from initiating the reading of the fluorescent signal, and the fluorescence signal was measured for 60 seconds. Then, 50 &#956;L of a prostaglandin E2 buffer solution was added to each well (final concentration 10 nM) and the fluorescence signal was measured for 60 seconds.
6250	1	Radioligand Binding	HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in DMEM, 10% FBS, 1&#215; Pen/Strep, 1&#215; NaPyruvate, 1&#215;HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1&#215; with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 10 min at 4&#176; C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80&#176; C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL.
7190	1	In Vitro Competitive Activity-Based Protein Assay	Proteomes (mouse brain membrane fraction or cell lysates) (50 uL, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37 C. After 30 min, FP-Rh (1.0 uL, 50 uM in DMSO) was added and the mixture was incubated for another 30 min at 37 C. Reactions were quenched with SDS loading buffer (50 uL-4x) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL, ABHD6 and FAAH using ImageJ 1.43u software.Preparation of Mouse Brain Proteomes from Inhibitor Treated Mice. Inhibitors were administered to wild-type C57Bl/6J by oral gavage in a vehicle of polyethylene glycol. Each animal was sacrificed 4 h following administration and brain proteomes were prepared and analyzed according to previously established methods (See Niphakis, M. J., et al. (2011) ACS Chem. Neurosci. and Long, J. Z., et al. Nat. Chem. Biol. 5:37-44).
6250	2	Radioligand Binding	Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1&#215; Pen/Strep, 600 &#956;g/mL G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phoshpate Buffered Saline 1&#215; with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 10 min at 4&#176; C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80&#176; C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. 
7191	1	Inhibition Assay	The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-Gln-Asn-(betanaphthyl)Ala-Pro-Ile-Val (SEQ ID NO:1)]. Compounds were tested using Procedure A. In Procedure A, the test compound was first preincubated with the enzyme in assay buffer (50 mM sodium acetate, pH 5.5, 100 mM NaCl, and 0.1% BSA) for 30 minutes at room temperature. Substrate was then added to 400 micromolar in a total volume of 80 microliters containing 10 picomolar HIV-1 protease and the reaction was incubated for 1 hour at 30° C. The reaction was quenched with the addition of 120 microliters of 10% phosphoric acid. The product formation was determined after separation of product and substrate on a Zorbax Eclipse XDB-C18 column (Agilent Technologies, Santa Clara, Calif.) connected to an Agilent 1100 high performance liquid chromatography system with fluorescence detection (excitation 270 nanometer and emission 330 nanometer).
6251	1	Radioligand Binding Assay	Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2, and 10 &#956;M pargyline). Assay incubations were performed for 60 mM at room temperature and were terminated by rapid filtration under vacuum pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvester.
6252	1	Inhibition Assay	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphosphate ester bond of a cyclic nucleotide. 
6253	1	Inhibition Assay	The GSK-3&#946; activity was determined by incubation of a mixture of recombinant human GSK-3 enzyme, a phosphate source and GSK-3 substrate in the presence and in the absence of the corresponding test compound, and by measuring the GSK-3 activity of this mixture.Recombinant human glycogen synthase kinase 313 was assayed in MOPS 8 mM pH 7.3, EDTA 0.2 mM, MgCl2 10 mM and sodium orthovanadate 0.25 mM in the presence of 62.5 &#956;M of Phospho-Glycogen Synthase Peptide-2 (GS-2), 0.5 &#956;Ci &#947;-33P-ATP and unlabelled ATP at a final concentration of 12.5 &#956;M. The final assay volume was 20 &#956;l. After incubation for 30 minutes at 30&#176; C., 15 &#956;l aliquots were spotted onto P81 phosphocellulose papers. Filters were washed four times for at least 10 minutes each and counted with 1.5 ml of scintillation cocktail in a scintillation counter.
6254	1	Enzyme Assay	The reactions were carried out in a 96-well microplate for fluorometry in a 50 &#956;l reaction volume. After the deacetylation reaction, Fluor-de-Lys-Developer (BioMol Cat. # KI-105) was added to each well to digest the deacetylated substrate, thus producing the fluorescent signal. The reaction was allowed to develop for 45 minutes at 30&#176; C. with 5% CO2; then the fluorescent signal was measured with an excitation wavelength at 360 nm and an emission wavelength at 460 nm in a microplate-reading fluorometer (GeminiXS; Molecular Devices, Sunnyvale, Calif.). A curve of Deacetylated Standard (Biomol, Cat. # KI-142; made from 100 &#956;M with 1:2 dilution and 10-doses, 6 &#956;l) allowed the conversion of fluorescent signal into micromoles of deacetylated product. 
6255	1	Fluorescence-polarization Binding Assay	The binding affinity of the MDM2 inhibitors was optionally determined using a fluorescence polarization-based (FP-based) binding assay using a recombinant human MDM2 protein (residues 5-109) and PMDM6-F as follows: MDM2 protein was serially diluted with a step of 1.8 in a Costar 96-well, black, non binding surface reference 3686 plate, and the PMDM6-F peptide was added at 5 nM concentration. The assay was performed in the buffer: 100 mM potassium phosphate, pH 7.5; 100 &#956;g/mL bovine gamma globulin, 0.01% Triton X-100) and the anisotropy values were measured at equilibrium using a Fusion reader (Packard).
6256	1	Activation Assay	Melanin Concentrating Hormone Receptor 1 (MCHR1) is a G-protein coupled receptor that interacts with heterotrimeric G proteins containing a G&#945;i/o subunit. Binding of MCH to MCHR1 results in the exchange of GDP for GTP on the G&#945;i/o proteins associated with the activated receptor. This activation can be quantified by measuring the amount of a GTP analog, GTP&#947;35S, bound to the membrane-associated receptor. GTP&#947;35S is not hydrolyzed by the intrinsic GTPase activity of a G-protein but instead forms a stable complex. Inhibition of MCH binding by a competing ligand may thus be assessed by a decrease in the amount of GTP&#947;35S bound to membranes in the presence of such a competing ligand.
6257	1	Foregoing Assay	The PDE10 Ki is a measure of the ability of the test compound to inhibit the action of the PDE10 enzyme.  The final product may be further modified, for example, by manipulation of substituents. These manipulations may include, but are not limited to, reduction, oxidation, alkylation, acylation, and hydrolysis reactions which are commonly known to those skilled in the art. In some cases the order of carrying out the foregoing reaction schemes may be varied to facilitate the reaction or to avoid unwanted reaction products.
6258	1	Enzyme Assay	The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concentrations at which each compound inhibits the activity to a predefined extent and then comparing the results. 
6259	1	Enzyme Inhibition Assay 	DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37&#176; C. The 30 &#956;l assay solution contained 20 pM recombinant human DPP4 and 50 &#956;M Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37&#176; C. prior to start of the experiment. 
6260	1	Binding Assay	The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pellet is washed twice with binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and centrifuged (15 000&#215;g, 4&#176; C., 30 min).  The P2 membranes are resuspended in binding buffer and incubated in a volume of 250 &#956;l (amount of membrane protein 0.1-0.5 mg) in the presence of 1-5 nM [3H]-methyllycaconitine, 0.1% (w/v) BSA (bovine serum albumin) and various concentrations of the test substance at 21&#176; C. for 2.5 h. The non-specific binding is determined by incubation in the presence of 1 &#956;M &#9633;-bungarotoxin or 100 &#956;M nicotine or 10 &#956;M MLA (methyllycaconitine).
6261	1	Inhibition Assay	DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichlorophenol-indophenol). The substrate oxidation (Dihydroorotate, L-DHO), as well as cosubstrate reduction (coenzyme Q, CoQ) is coupled to the chromogen reduction, hence enzymatic activity results in a loss of chromogen absorbance at 600 nm.  Enzyme extracts (8 &#956;l, 1.5 &#956;g of human protein) were incubated in 96-well plates. The assay mixture (200 &#956;l) contained 200 &#956;M CoQD, 100 &#956;M L-DHO, 120 &#956;M DCIP in the assay buffer (100 mM HEPES pH 8.0, 150 mM NaCl, 10% Glicerol, 0.05% Triton X-100) and 2 &#956;l of test compound. The compounds were dissolved in DMSO at a stock concentration of 1 mM, and tested at different concentrations varying from 10 &#956;M to 1 &#956;M to calculate an IC50 (concentration of inhibitor required for 50% of inhibition).
6262	1	Binding Assay	The binding assays are carried out using a Scintillation Proximity Assay (Amersham) with WGA beads previously blocked with 1% fatty acid free BSA (ICN). The binding buffer contains 25 mM Hepes, pH 7.4, 2.5 mM CaCl2, 1 mM MgCl2, 0.1% fatty acid free BSA, (ICN), 0.003% tween-20, and Roche Complete Inhibitors without EDTA. Glucagon is dissolved in 0.01 N HCl at 1 mg/mL and immediately frozen at &#8722;80 degrees C. in 30 &#956;l aliquots. The glucagon aliquot is diluted and used in binding assays within an hour. Test compounds are dissolved in DMSO and serially diluted in DMSO. 10 ul diluted compounds or DMSO is transferred into Corning 3632, opaque clear bottom assay plates containing 90 &#956;l assay binding buffer or cold glucagon (NSB at 1 &#956;M final). 50 &#956;l of 1-125 glucagon (0.15 nM final in reaction), 50 &#956;l of membranes (300 &#956;g/well), and 40 &#956;l of WGA beads (150 mgs/well) are added, covered, and mixed end over end.
6263	2	IMAP TR-FRET Assay	IMAP TR-FRET progressive binding system, FAM-cAMP substrate were from Molecular Devices (Sunnyvale, Calif.).  The PDE IMAP assay was conducted in a 384-well black Greiner polypropylene plate (Sigma, St. Louis, Mo.). PDE inhibitors were serial diluted in 100% DMSO and dispensed into assay plate at 200 mL per well using Echo&#174; Liquid Handling System from LABCYTE. Ten &#956;L of PDE enzyme in IMAP reaction buffer (10 mM Tris-HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3, and 0.01% Tween-20) was added into the assay wells. The PDE enzyme concentration used was based on each lot of enzyme activity, to ensure enzyme reaction falls in a linear range under assay condition. 1.4 nM of PDE2 or 8 &#956;M PDE10 were used in the assay system. Enzyme was pre-incubated with inhibitors for 60 minutes at room temperature before addition of 10 uL of substrate addition, which results in 100 nM of FAM-cAMP in the reaction.
6264	1	Calcium Flux Assay	Calcium Flux Assay Using Fluorometric Imaging Plate Reader (FLIPR).  Buffer containing dye (from the FLIPR&#174; Calcium 3 Assay Kit from Molecular Devices, a division of MDS Analytical Technologies and MDS Inc.) was prepared by dissolving the contents of one bottle into 200 mL Hank&#39;s Balanced Salt Solution containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) and 2.5 mM probenecid. Growth media was removed from the cell plates and 25 &#956;L of Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES, 0.05% BSA and 2.5 mM probenecid was added to each well followed by 25 &#956;L of diluted dye using a Multidrop dispenser. The plates were then incubated for 1 hour at 37&#176; C.
6265	1	Quatitative Inhibition Analysis Assay	The reaction mixture contained DNA (1.25 uM or as specified), NTP (110 uM or as specified), 50 mM NaCl, 150 mM potassium glutamate, buffer [20 mM CAPS (pH 8.8) or as specified], and divalent metals (2 mM Mn2+ and 1 mM Mg2+). The assay was performed in 96-well plates with 4 uM Ba DnaG.
6266	2	HDAC8 Inhibition Assay (kinetic method)	To determine the dissociation rate of the inhibitor, 1 &#181;M HDAC8 and 20 &#181;M inhibitor (syringe I) were mixed with 100 &#181;M c-SAHA (syringe II) via the stopped-flow system. The fluorescence was measured at 325 nm with a 395 nm cutoff filter.
6266	1	HDAC8 Inhibition Assay (spectrofluorometric titration)	A fixed concentration of 1.5 &#181;M was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 50 mM Tris (pH 7.5), 100 mM NaCl, 3 mM MgCl2, 10% glycerol, and 1 mM tris(2-carboxyethyl)phosphine (TCEP).  The fluorescence was measured at 340 nm after excitation at 295 nm.
6267	1	TgENR Inhibition Assay	The reaction mixture (100 &#181;L) contained 100 &#181;M crotonyl-CoA, 1 &#181;L DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/potassium phosphate (pH 7.5), 150 mM NaCl, and 100 &#181;M NADH. Each compound was measured in duplicate at a final concentration of 1 &#181;M.
6268	1	MPO Activity Assay	Assay mixtures (100 &#181;L) contained 50 mM NaPi (pH 7.4), 150 mM NaCl, 1 mM DTPA, 2% DMSO, the indicated concentrations of H2O2, and Amplex Red. The reactions were initiated by the addition of 100 pM MPO. The fluorescent changes were measured at 530 (excitation) and 580 nm (emission).
6269	1	ANS Fluorescence Displacement Assay	A solution of the L-FABP (500 nM) and ANS (35 &#181;M) was titrated with phytanic acid (0-6.4 &#181;M) or fenofibrate (0-6 &#181;M for the rat L-FABP and 0-4 &#181;M for the human L-FABP) or fenofibric acid (0-300 &#181;M for the rat L-FABP and 0-48 &#181;M for the human L-FABP).
6270	1	Enzyme Assays	IC50 values were determined with serial dilutions (from 100 to 0.1 uM) of inhibitors by a spectrophotometric assay with DTNB, lipoamide, and NADH or a PDH assay as described previously.
6271	1	Luciferin-Luciferase Assay	The activity of ROCKII (1-543) kinase is measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-luciferase to quantify residual ATP. The assay is performed in 384-well low-volume, white, non-binding surface microtiter plates (Corning). The assay buffer is 25 mM HEPES, pH 7.5, 10 mM MgCl2, 50 mM KCl, 0.2% BSA, 0.01% CHAPS, 100 &#956;M Na3VO4 and 0.5 mM DTT. Test compounds, dissolved in neat DMSO at 500 &#956;g/mL, are serially diluted for dose response for a final starting concentration of 3 &#956;g/mL in 1% DMSO of assay buffer. ROCKII (1-543) (62,408 Da) is diluted in assay buffer to a final concentration of 7.5 nM in a total volume of 15 &#956;L.
6271	2	IMAP Assay	This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices (Sunnyvale, Calif.) in IMAP kinase reaction buffer (Tris-HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3, 0.1% phosphate-free BSA) containing 1 mM DTT. Test compounds dissolved in neat DMSO at 0.3 mg/mL are serially diluted 1 to 3 for concentration response in 100% DMSO. The DMSO serial dilutions are further diluted 33.33-fold in kinase reaction buffer, and 10 &#956;L of this buffer dilution is transferred to Corning black 96-well half area NBS plates for a final top concentration of 3 &#956;g/mL in 1% DMSO. 10 &#956;L aliquot of 3 nM ROCKII (1-543) diluted in kinase reaction buffer is added to each assay well for a final concentration of 1 nM kinase. 10 &#956;L of a mixture of 600 nM FAM S6 peptide and 300 &#956;M ATP diluted in kinase reaction buffer is added to each well for a final concentration of 200 nM peptide and 100 &#956;M ATP.
6272	1	Biological Assays	Binding assay was performed in a final assay volume of 250 &#956;l. First, 25 &#956;l of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 50 mM Tris-Base, 100 mM NaCl, 1 mM EDTA, 0.1% BSA (protease free), 0.01% NaN3, 10 mM MnCl2 pH 7.0) was placed into each well. After addition of 75 &#956;l Binding-Buffer, 50 &#956;l of the radioligand 3H-PGD2 (at 2.5 nM (220.000 dpm/well) from ANAWA ART0662) was added to each well. Binding assay was started by addition of 100 &#956;l CRTH2 membrane fragments, reaching a final concentration of 20 &#956;g/well. For non-specific binding, PGD2 was added to the reaction mixture to 10 mM final concentration. 
6273	1	Biological Assay	50 &#956;l of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 &#956;M, was placed in black microtitre plates. 20 &#956;l of assay buffer (final concentrations 50 mM Tris HCl pH 7.8, 50 mM NaCl, 1% DMSO) was pipetted therein. The reaction was started by the addition of 30 &#956;l of solubilized Caco-2 protein (final concentration 0.14 &#956;g of protein per well). The test substances under investigation were typically added prediluted to 20 &#956;l, while the volume of assay buffer was then reduced accordingly. The reaction was carried out at ambient temperature, the incubation period was 60 minutes. Then the fluorescence was measured in a Victor 1420 Multilabel Counter, with the excitation wavelength at 405 nm and the emission wavelength at 535 nm.
6274	1	Fluorescence Polarization Kinase Assay	The compounds of the present invention are also specific inhibitors of c-Kit. Selection of preferred compounds of Formula I for use as c-Kit inhibitors was performed in the following manner using an in vitro kinase assay to measure inhibition of the isolated kinase domain of the human c-kit receptor in a fluorescence polarization (FP) protocol. The c-kit assay utilized the fluorescein-labeled phosphopeptide and the anti-phosphotyrosine antibody included in the Panvera Phospho-Tyrosine Kinase Kit (Green) supplied by Invitrogen. When c-kit phosphorylated the poly Glu4Tyr, the fluorescein-labeled phosphopeptide was displaced from the anti-phosphotyrosine antibody by the phosphorylated poly Glu4Tyr, thus decreasing the FP value. 
6275	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100&#215; final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm.
6276	1	Inhibition Assay	To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 &#956;M peptide substrate, 25 &#956;M ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22&#176; C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM.  Ki values were then determined using the Morrison tight binding model. Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979).
6277	1	Radioligand Binding Assay	Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell membranes, [3H]flumazenil at a concentration of 1 nM for &#945;1, &#945;2, &#945;3 subunits and 0.5 nM for &#945;5 subunits and the test compound in the range of 10-10&#8722;3&#215;10&#8722;6 M. Nonspecific binding was defined by 10&#8722;5 M diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4&#176; C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After drying, filter-retained radioactivity was detected by liquid scintillation counting.
6278	1	Inhibition Assay	The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et al. 2006 J. Biol. Chem. (7)).
6279	1	Assay of Substrate Hydrolysis	Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations were varied to optimize measured rates.
6280	1	Inhibition Assay	The potencies of compounds were determined by measurement of their inhibition of memapsin 2 catalytic activity toward a fluorescent substrate. Kinetic inhibition experiments were performed using the procedure as described in Ermolieff, et al. Biochemistry 39:12450-12456 (2000), the teachings of which are incorporated hereby in their entirety. Briefly, assays were performed at pH 4, 37&#176; C., by pre-incubation of memapsin 2 enzyme with compound for 20 minutes. Activity measure was initiated by addition of a fluorogenic substrate FS-2 (Bachem Americas, Torrance, Calif.). 
6281	1	Enzymatic Assays	Type 2 DHODH activity was monitored with either the direct assay measuring the formation of orotate or via a chromogen reduction assay using DCIP. Although the extinction coefficient and absorption wavelength are preferable for the chromogen reduction assay, the inorganic electron acceptor DCIP can be utilized by DHODH as the final electron acceptor in lieu of CoQn when the endogenous substrate is at a low concentration. As such, the direct assay was used to measure the binding affinity of pfDHODH to CoQD and L-DHO. The enzymatic reaction was performed by varying the L-DHO concentration (1-400 &#956;M) or CoQD concentration (1-200 &#956;M) while keeping the other substrate constant and in excess. Inhibition of DHODH by small molecules was evaluated using the chromogen based assay with a final substrate concentration of 200 &#956;M L-DHO, 18 &#956;M CoQD, and 100 &#956;M DCIP, unless otherwise noted.
6282	1	Enzyme Inhibition Assay	HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typically, 1.5 mM 2,3-dimercapto-1-propanol tributyrate (DMPT) in 100 mM MOPS, pH 7.2, 0.2 mg/ml fatty acid-free BSA was prepared by sonication at 4&#176; C. to homogenous suspension. Test compounds (2 mM stock in DMSO) were diluted 3 fold in series in DMSO. Compound solutions were diluted 24 fold in 1.5 mM DMPT containing solution and 18 ul per well was added to 384-well microplates (Corning Costar). Twelve microliters per well of human HSL (15 ug/ml) was added and the reaction mixture was incubated at 37&#176; C. for 20 minutes. Six microliters of 12 mM dithio-bis-(2-nitrobenzoic acid) (DTNB) in DMSO plus 1.2% SDS and 0.6% Triton X-100 were added and the mixture was incubated at room temperature for 15 minutes.
6283	1	Inhibitory Assay	First, 48.5 &#956;l portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&#949;-amino-n-capronic acid, Eu=Europium cryptate) were put into respective wells of a 96-well half area microplate (black microplate, Costar). Then, 0.5 &#956;l of a test compound (DMSO (dimethyl sulfoxide) solution) and 1 &#956;l of Recombinant human BACE-1 (R&D systems) were added to each of the wells, and they were reacted for 3 hours at 30&#176; C. The substrate peptide was synthesized by reacting Biotin-XSEVNLDAEFRHDSGC (PEPTIDE INSTITUTE, INC.) with Cryptate TBPCOOH mono SMP (CIS bio international). The final concentration of the substrate peptide was set to 18 nM, and the final concentration of Recombinant human BACE-1 was set to 7.4 nM. The reaction buffer used was a sodium acetate buffer (50 mM sodium acetate, pH 5.0, 0.008% Triton X-100).
6284	1	Radioligand Binding Assay	For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
6285	1	Enzyme Assay	The activity of the compounds of this invention on Abl, c-Kit and PDGFR kinases was tested by Mobility Shift Assay (MSA). Kinase buffer: 62.5 mM HEPES, pH 7.5; 0.001875% Brij-35; 12.5 mM MgCl2; 2.5 mM DTT. Stop buffer: 100 mM HEPES, pH 7.5; 0.015% Brij-35; 0.2% coating agent 3; 50 mM EDTA. Preparation of kinase solution: Kinase solution was obtained by dissolving kinases in the kinase buffer mentioned above. With regard to c-Kit kinase, the pre-activation treatments should be carried out as follows. 700 nM c-Kit, 2 mM ATP, 4 mM DTT and 10 mM MgCl2 were dissolved in kinase buffer. After being incubated at 28&#176; C. for 15 minutes, the solution was added to the kinase buffer.
6286	1	Scintillation Proximity Assay 	PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one previously described (Fawcett, L. et al., Proc Natl Acad Sci USA (2000) 97(7):3702-3707).  The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 &#956;l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat #SE-534) with or without a specific test compound.
6287	1	ADP Generation Assay	The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentrations in kinase reaction buffer and briefly incubated with recombinant full-length human BTK kinase with a (His)6 tag (81.3 kDa; Invitrogen Corporation, Carlsbad, Calif.). The assay as described is based on volumes used in a standard 384 well format using solid, white-wall plates. The reaction was subsequently initiated by the addition of ATP and myelin basic protein (MBP) substrate (Millipore Corporation, Waltham, Mass.). Composition of the assay reaction mixture (5 mL volume) was: 5% v/v DMSO, 60 nM BTK, 1.6 &#956;M ATP, and 20 &#956;M MBP substrate. After incubation at room temperature for 60 min, 5 mL of the ADP-Glo reagent (Promega Corporation, Madison, Wis.) was added to each well and incubated for an additional 40 minutes.
6287	2	Time Resolved-FRET Assay	Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay. Test compound are diluted to desired concentrations in kinase reaction buffer and briefly incubated with BTK kinase (as described above; Invitrogen). The reaction is initiated by the addition of ATP and enzyme substrate, HTRF&#174; KinEASE-TK Substrate-biotin (Cisbio US, Bedford, Mass.). The composition of the reaction (10 &#956;l) was: 1% v/v DMSO, 10 nM BTK, 60 &#956;M ATP, and 1 &#956;M substrate. After incubation at room temperature for 60 min, the enzyme reaction is stopped by EDTA-containing buffer, which also contains europium-labeled (Eu3+-Cryptate) anti-phosphotyrosine antibody (Cisbio) and Streptavidin-XL665 (Cisbio). The europium-labeled antibody generates a time-resolved FRET signal with the Stepavidin-XL665, which binds to the biotinylated TK substrate through the streptavidin conjugate when the substrate is phosphorylated.
6288	1	Inhibition Assay	The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were chilled to 4&#176; C. Sf9 cells expressing human (His)6DGAT1 were thawed at room temperature and re-suspended at a 10:1 ratio (mL buffer/g of cells) in 50 mM HEPES, 1&#215; Complete Protease Inhibitor, pH 7.5. The re-suspended pellet was homogenized for 1 min using a Brinkman PT 10/35 homogenizer with a 20 mm generator. Cells were lysed using Avestin Emulsiflex (chilled to 4&#176; C.) at 10000-15000 psi. Lysate was centrifuged at 100,000&#215;g for 1 h at 4&#176; C. Supernatant was removed and pellets were re-suspended in 50 mM HEPES, 1&#215; Complete Protease Inhibitor, pH 7.5 at &#8537; the volume of supernatant.
6289	1	Fluorescence Polarization-Based Assay	Compounds 7, 15-19, and 22 were evaluated for their efficiency in inhibiting galectin-1 and galectin-3 in a known fluorescence polarization-based assay (S&#246;rme et al., 2003a, 2004). All compounds were potent inhibitors of galectin-1 and galectin-3 with dissociation constant in the low &#956;M or nM range. This evidences that a properly structured cyclohexane can mimic the subsite D-binding saccharide moiety, e.g. N-acetylglucosamine in the disaccharide N-acetyllactosamine.
6290	1	Radioligand Binding Assay	Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the orexin-1 (OX1) or orexin-2 (OX2) receptor. 
6291	1	Inhibition Assay	The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI activity kit from American Diagnostica (Pr. No. 874). This entailed adding 29 &#956;l of assay buffer (20 mM Hepes, 150 mM NaCl, pH 7.4) and 10 &#956;l of TAFIa (American Diagnostica Pr. No. 874TAFIA; 2.5/ml) to 1 &#956;l of 5 mM DMSO solution of the substance and incubating in a 96 half-well microtiter plate at room temperature for 15 minutes. The enzymic reaction was started by adding 10 &#956;l of TAFIa developer (prediluted 1:2 with water). The time course of the reaction was followed at 420 nm in a microtiter plate reader (SpectraMax plus 384; Molecular Devices) for 15 minutes.
6292	1	Fluorometric Assay	A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 &#956;M; kcat=75 s&#8722;1; kcat/Km=1.5&#215;106 M&#8722;1s&#8722;1. A typical reaction contains approximately 50 &#956;M enzyme, 50 &#956;M Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 &#956;L. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 &#956;M AMC is produced in 30 minutes at 25 degrees C. The enzyme used in these studies was soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system (Bac-To-Bac, Gibco BRL).
6293	1	HTRF kinase assay	The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 &#181;g/mL (Glue, Tyr) 4:1 was added, followed by the addition of 50 &#181;L of 10 mM ATP solution diluted in kinase reaction buffer (50 mM HEPES, pH 7.0, 1 M DTT, 1 M MgCl2, 1 M MnCl2, and 0.1% NaN3) into each well. Various concentrations of compounds diluted in 10 &#181;L of 1% DMSO (v/v) are used as the negative control. The reaction was initiated by the addition of purified c-Met kinase diluated in 39 &#181;L of kinase reaction buffer solution. The reaction was incubated for 30 min at 25 &#176;C and stopped by the addition of 5 &#181;L of Streptavidin-XL665 and 5 &#181;L Tk Antibody Cryptate working solution to all of the wells. The plate was read at 320 nm and 615 nm.
6294	1	Enzymatic activity assay	Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 &#176;C. All compounds were prepared in DMSO.  Various concentrations of compounds were added in the reaction mixture separately. The reactions were incubated for 30 min and the activity was estimated by the usual enzyme assay at pH 6.0 using a-N-benzoyl-D,L-arginine-2-naphthylamide (BANA) as substrate.
6295	1	XO inhibitory assay	The reaction mixture contained 1.5 mL of 50 mM potassium phosphate buffer (pH 7.5), 1 mL test sample solutions (5, 10, 25, 50, and 100 &#181;M) was dissolved in DMSO, 0.5 mL of XO enzyme solution (0.2 units/mL of xanthine oxidase in phosphate buffer). The reaction mixture was pre-incubated at room temperature for 15 min, followed by the addition of 1 mL of substrate solution (0.10 mM of xanthine). The mixture was further incubated at room temperature for 30 min and stopped with the addition of 1 mL of 1 M HCl. Allopurinol was used as a positive control and the inhibitory effect of XO was measured spectrophotometrically at 292 nm under aerobic condition.
6296	1	Inhibition Assay	Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid leukemia cells and activity was assayed using a method optimized from Cortijo et al (10, Cortijo 1993) and Nicholson et al. (11, Nicholson, 1991). Test article and/or vehicle was incubated with 0.2 mg of enzyme and 1 &#956;M cAMP containing 0.01 &#956;M [3H]cAMP in Tris buffer (50 mM Tris-HCl pH 7.5, 5 mM MgCl2) for 20 minutes at 25&#176; C. The reaction was terminated by boiling for 2 minutes and the resulting AMP was converted to adenosine by addition of 10 mg/ml snake venom nucleotidase and further incubation at 37&#176; C. for 10 min. Unhydrolyzed cAMP was bound to AG1-X2 resin, and the remaining [3H] adenosine in the aqueous phase was quantitated by scintillation counting.
6297	1	Inhibiting Assay	The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO.  Required cofactors are added individually to each kinase reaction Reaction Procedure:(i) Prepare indicated substrate in freshly prepared Base Reaction Buffer(ii) Deliver any required cofactors to the substrate solution above(iii) Deliver indicated kinase into the substrate solution and gently mix(iv) Deliver compounds in DMSO into the kinase reaction mixture(v) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) into the reaction mixture to initiate the reaction.(vi) Incubate kinase reaction for 120 minutes at room temperature(vii) Reactions are spotted onto P81 ion exchange paper (Whatman #3698-915)(viii) Wash filters extensively in 0.1% phosphoric acid.(ix) Measure counts in scintillation counter. 
6298	1	In Vitro Kinase Inhibition Assays	All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50 &#956;l reaction volume. The reaction mixture was pipetted in four steps in the following order:20 &#956;l of assay buffer (standard buffer),5 &#956;l of ATP solution (in H2O),5 &#956;l of test compound (in 10% DMSO),10 &#956;l of substrate/10 &#956;l of enzyme solution (premixed),The assay for all enzymes contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &#956;M Na-Orthovanadate, 1.2 mM DTT, 50 &#956;g/ml PEG20000, 1 &#956;M [-33P]-ATP (approx. 5&#215;1005 cpm per well).
6299	1	Fluorometric Assay	Compounds were tested for their ability to inhibit histone deacetylase 8 using an in vitro deacetylation assay.  In a detailed procedure, 8 &#956;l of HDAC8 enzyme solution (0.125 &#956;g/&#956;l) was transferred to assay plates (CORNING 3676). 1 &#956;l of half-log diluted compounds were added into wells and incubated for 15 min at rt. After that, 8 &#956;l of substrate solution was transferred to the wells and incubated for 30 min at rt. After deacetylation of the substrate by incubation with HDAC8 enzyme, subsequent exposure to a developing reagent produced a fluorophore that was directly proportional to the level of deacetylation. So 4 &#956;l of developer regent (Cayman 10006394) was added into the wells in the assay plates and incubated for 15 min. The fluorescence signal was measured by a FlexStation3 plate reader (excitation wave length 340-360 nm; emission wave length 440-465 nm).
6300	1	Enzyme Inhibition Assay	HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, Mo.) as a substrate. Typically, 1.5 mM 2,3-dimercapto-1-propanol tributyrate (DMPT) in 100 mM MOPS, pH 7.2, 0.2 mg/ml fatty acid-free BSA was prepared by sonication at 4&#176; C. to homogenous suspension. Test compounds (2 mM stock in DMSO) were diluted 3 fold in series in DMSO. Compound solutions were diluted 24 fold in 1.5 mM DMPT containing solution and 18 ul per well was added to 384-well microplates (Corning Costar). Twelve microliters per well of human HSL (15 ug/ml) was added and the reaction mixture was incubated at 37&#176; C. for 20 minutes. Six microliters of 12 mM dithio-bis-(2-nitrobenzoic acid) (DTNB) in DMSO plus 1.2% SDS and 0.6% Triton X-100 were added and the mixture was incubated at room temperature for 15 minutes. Product production was monitored by reading absorbance at 405 nm on an Envision Reader.
6301	1	Calcium Mobilization Assay	An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65, 582-588, 2004). Chinese hamster ovary (CHO) cells stably expressing photoprotein aequorin and recombinant PKR1 or PKR2 were tested by this method. Briefly, the cells were charged in Opti-MEM (Invitrogen) containing 8 &#956;M of coelenterazine cp at 37&#176; C. for 2 hours. Cells were detached by brief typsinization and maintained in Hank&#39;s Balanced Salt Solution (HBSS) plus 10 mM HEPES (pH7.5) and 0.1% BSA at about 5&#215;105 cells/ml. Luminescence measurements were made using a Berthold luminometer.
6302	1	Mass Spectrometry Assay 	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS&#151;for assay details, see reference (Greis et al, 2006). The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH7.5), ascorbate (120 &#956;M), 2-oxoglutarate (3.2 &#956;M), HIF-1&#945; (8.6 &#956;M), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 &#956;L of reaction mixture to 50 &#956;L of a mass spectrometry matrix solution (&#945;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems.
6303	1	Homogenous Time-Resolved Fluorescence Assay (HTRF)	To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R) Technology. J Biomol Screen, 1999. 4(6): p. 309-314; Alfred J. Kolb, Paul V. Kaplita, David J. Hayes, Young-Whan Park, Christine Pernell, John S. Major and Gerard Mathis, Drug Discovery Today, 1998, 3, 333-342.). For example for KDR, cKIT, FLT1, CSF1R and FTL3, purified enzyme was mixed with 0.5 &#956;M N-biotinylated substrate (Biotin-Ahx-AEEEYFFLA-amide (SEQ. ID. 1)), various concentrations of inhibitor in reaction buffer (50 mM HEPES, pH 7.1, 10 mM MgCl2, 2 mM MnCl2, 0.1% BSA and 1 mM DTT, 40 &#956;L final volume), ATP (1 mM final conc.) in a black 384-well plate. After 60 minutes incubation at room temperature, the reaction was quenched by addition of a buffered EDTA solution.
6303	2	Enzyme Inhibtion Assay	To determine Aurora B activity of representative compounds of the invention, Active Aurora B enzyme (recombinant residues 1-344) and INCENP (recombinant GST fusion protein (Upstate)) were incubated in wells of a 384 well plate with biotinylted histone H3 peptide residues 1-21 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a HEPES buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-histone H3 Europium Cryptate (Cis-Bio) and SA-APC (Phycolink, Prozyme) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm.
6303	3	Enzyme Inhibtion Assay	To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well plate with biotinylated STK substrate-2 (Upstate), 1 mM ATP, and various concentrations of inhibitors in a Hepes buffer, pH 7.4 containing MgCl2, sodium othrovanadate, and Triton X-100. After 1 hour, the reaction was stopped with EDTA and anti-phospho-STK antibody Europium Cryptate (Upstate) and SA-XL665 (Upstate) were added to detect the phosphopeptide. The amount of phosphorylation was determined by the time-resolved fluorescence ratio of signals at 665 nm and 615 nm.
6303	4	Inhibtion Assay	Assays (200 &#956;L final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microtiter plate shaker in a 37&#176; C. incubator. Pooled human liver microsomes (BD Gentest, 50 &#956;g/mL) were incubated with 5 concentrations of test compound (from 0.1 &#956;M to 10 &#956;M), 1 mM NADPH (Sigma), and 2 &#956;M midazolam (Sigma). A constant amount of dimethylsulfoxide (1%) was added to the incubations with the test compounds, and each analysis was performed in duplicate. For preincubation experiments (Pre), the microsomes, test compounds, and NADPH were mixed and incubated 30 minutes before addition of midazolam. For coincubation experiments (Co), the compounds, microsomes, and midazolam were mixed and the reaction initiated by addition of NADPH to the wells.
6304	1	Biochemical Assay	Compound was serially diluted 3 fold in DMSO for 10 points and 1 &#956;l was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 2.5 uM final concentration of S-adenosyl-L-homocysteine and negative control (0% inhibition standard) contained 1 &#956;l of DMSO. Compound was then incubated for 30 minutes with 40 &#956;l per well of DOT1L(1-416) (0.25 nM final concentration in assay buffer: 20 mM TRIS, pH 8.0, 10 mM NaCl, 0.002% Tween20, 0.005% Bovine Skin Gelatin, 100 mM KCl, and 0.5 mM DTT). 10 &#956;l per well of substrate mix (same assay buffer with 200 nM S-[methyl-3H]-adenosyl-L methionine, 600 nM of unlabeled S-[methyl-3H]-adenosyl-L methionine, and 20 nM oligonucleosome) was added to initiate the reaction. Reaction was incubated for 120 minutes at room temperature and quenched with 10 &#956;l per well of 100 &#956;M S-methyl-adenosyl-L methionine. 
6305	1	Fluorescence Polarization Competition Immunoassay	An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selected compounds of Formula I. The assay was performed in black 96-well microplates (LJL BioSystems). The assay buffer used was 100 mM 4-(2-hydroxyethyl)piperazine 1-ethanesulfonic acid (HEPES), pH 7.5, 1 mM 1,4-dithio-DL-threitol (DTT), 0.01% (v/v) Tween-20. Compounds were diluted in assay buffer containing 4% dimethylsulfoxide (DMSO) just prior to the assay. To each well, 5 &#956;L of compound were added followed by the addition of 3 &#956;L of a mix containing 33 nM c-fms (Johnson & Johnson PRD) and 16.7 mM MgCl2 (Sigma) in assay buffer. The kinase reaction was initiated by adding 2 &#956;L of 5 mM ATP (Sigma) in assay buffer. The final concentrations in the assay were 10 nM c-fms, 1 mM ATP, 5 mM MgCl2, 2% DMSO.
6306	1	Competitive Molecular Binding Assay	The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) detection. The assay is performed in 384-well, low volume NBS black plates (Corning #3676) in assay buffer consisting of 10 mM TES, pH 7.4, 50 mM KCl, 20 mM Sodium molybdate, 1.5 mM EDTA, 0.04% CHAPS, 10% Glycerol and 1 mM DTT. Full Length human mineralocorticoid receptor (hMR) present in a baculovirus infected insect cell lysate is diluted 2 fold in assay buffer and 10 &#956;L of this dilution is added to the assay plate. Blank wells receive 10 &#956;L of the diluted MR lysate containing 3 &#956;M Dexamethasone. 2 &#956;L diluted test compound is transferred to the assay plate for a final starting top concentration of 10 &#956;M in 1% DMSO. The reaction is started by adding 3 &#956;L of 25 nM probe in assay buffer for a final assay concentration of 5 nM.
6307	1	Radioligand Binding Assay	Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 &#956;g protein/well (D2, D3) and 15 &#956;g protein/well (5-HT2A), respectively.  The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 &#956;l with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 &#956;M-0.1 nM for 1 h at RT.
6308	1	Inhibition Activity	Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determined by adding the substrate xanthine. The initial velocity of test compound at each concentration was converted to % inhibition rate on the basis of the initial velocity under the absence of the inhibitor, thereby the inhibitor concentration needed for 50% inhibition was calculated as IC50 values.
6309	1	Selectivity screening	The IC50 values of selected kinases were determined using either Z&#39;LYTE, Adapta or LanthaScreen assays.
6309	2	ITC	For ERK1 and ERK2, the buffer contained 20 mM HEPES (pH 7.5), 150 mM NaCl and 0.5 mM TCEP. For haspin, the buffer contained 20 mM HEPES (pH 7.5), 250 mM NaCl and 0.5 mM TCEP. Titration was performed at 15 &#176;C by injecting 100 &#181;M protein into a reaction cell containing the inhibitors (7 &#181;M).
6310	1	Mobility-Shift kinase assay	Compounds of the examples provided herein were assessed for their ability to inhibit Syk kinase by utilizing Caliper Life Sciences&#39; proprietary LabChip technology. The off-chip incubation mobility-shift kinase assay uses a microfluidic chip to measure the conversion of a fluorescent peptide substrate to a phosphorylated product. The reaction mixture, from a microtiter plate well, is introduced through a capillary sipper onto the chip, where the nonphosphorylated substrate and phosphorylated product are separated by electrophoresis and detected via laser induced fluorescence. The signature of the fluorescence signal over time reveals the extent of the reaction. The phosphorylated product migrates through the chip faster than the non-phosphorylated substrate, and signals from the two forms of the peptide appear as distinct peaks.
6311	1	Binding assay	Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline was used at a concentration equal to the calculated Kd value of 60 nM to give a bound at around 0.1% of the total added radioligand concentration, and a specific binding which represented approximately 70-80% of the total binding. Non-specific binding was defined as the amount of [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline bound in the presence of the appropriate unlabelled ligand (10 &#956;M). Competing ligands were tested in a wide range of concentrations (10 &#956;M-30 &#956;M). The final dimethylsulphoxide concentration in the assay was 2%, and it did not affect radioligand binding.
6312	1	Inhibition Assay	Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 &#956;m hydrophilic PVDF filter plates (Millipore). Concentrations reported here are final assay concentrations: 10-100 &#956;M compounds in DMSO (Burdick and Jackson), 5-10 nM Btk enzyme (His-tagged, full-length), 30 &#956;M peptide substrate (Biotin-Aca-AAAEEIYGEI-NH2), 100 &#956;M ATP (Sigma), 8 mM imidazole (Sigma, pH 7.2), 8 mM glycerol-2-phosphate (Sigma), 200 &#956;M EGTA (Roche Diagnostics), 1 mM MnCl2 (Sigma), 20 mM MgCl2 (Sigma), 0.1 mg/ml BSA (Sigma), 2 mM DTT (Sigma), 1 &#956;Ci 33P ATP (Amersham), 20% streptavidin sepharose beads (Amersham), 50 mM EDTA (Gibco), 2 M NaCl (Gibco), 2 M NaCl w/1% phosphoric acid (Gibco), microscint-20 (Perkin Elmer).
6313	1	AlphaScreen Assay	The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3K&#945;, PI3K&#946;, PI3K&#947;, and PI3K&#948;. Each of these enzymes phosphorylates the 3&#8242;-hydroxyl group on phosphatidylinositiol (4,5)-bisphosphate (PIP2) to produce phosphatidylinositol (3,4,5)-trisphosphate (PIP3). This phosphorylation activity is measured using a GST-tagged PIP3 binding protein (Echelon Biosciences, Salt Lake City, Utah), an anti-GST-tagged Acceptor bead, and streptavidin-Donor bead. The interaction of biotinylated-PIP3 analog (IP4) and the PIP3 binding protein brings both Acceptor and Donor beads together producing, upon excitation of the Donor beads at 680 nm, a singlet oxygen species leading to the luminescent AlphaScreen signal. When PIP3 is produced via phosphorylation of PIP2 by a PI3K, PIP3 competes with biotinylated-PIP3 analog (IP4) for binding to the PIP3 binding protein.
6313	2	In Vitro mTOR Assay	The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vitro setting. Active mTOR phosphorylates eukaryotic translation initiation factor 4E binding protein 1 (4E-BP1) on residue threonine 46. This phosphorylation event can be detected with a phospho-specific terbium (Tb) labeled Ab, in turn bringing the Tb label in close proximity to the GFP tagged 4E-BP 1 and allowing for time-resolved fluorescence resonance energy transfer (TR-FRET), which correlates 4E-BP1 phosphorylation levels with mTOR kinase activity.
6314	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide. Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM. Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L. Substrate (20 &#956;M): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).Z=Benzyloxycarbonyl.AMC=7-Amino-4-Methyl-Coumarin. DTT=dithiothreitol. Final volume: 100 &#956;L. Excitation 360 nm, Emission 465 nm.
6315	1	Inhibition Assay	Compounds of the present invention were screened for their ability to inhibit GSK-3&#946; (AA 1-420) activity using a standard coupled enzyme system (Fox et al., Protein Sci. 1998, 7, 2249). Reactions were carried out in a solution containing 100 mM HEPES (pH 7.5), 10 mM MgCl2, 25 mM NaCl, 300 &#956;M NADH, 1 mM DTT and 1.5% DMSO. Final substrate concentrations in the assay were 20 &#956;M ATP (Sigma Chemicals, St Louis, Mo.) and 300 &#956;M peptide (American Peptide, Sunnyvale, Calif.). Reactions were carried out at 30 C. and 20 nM GSK-3&#946;. Final concentrations of the components of the coupled enzyme system were 2.5 mM phosphoenolpyruvate, 300 &#956;M NADH, 30 &#956;g/ml pyruvate kinase and 10 &#956;g/ml lactate dehydrogenase.
6316	1	DELFIA assay	The kinase activity is measured by DELFIA assay (dissociation-enhanced lanthanide fluorescence immunoassay, Perkin Elmer). The cytoplasmic kinase domain of human IGF-1R (amino acids 964-1370) is expressed as a fusion protein with a glutathione-S-transferase tag (IGF-1R-GST) in High Five Cells (Invitrogen). Enzyme activity is measured in the presence of substances and a control substance. Poly-glutamate-tyrosine peptide (pEY, Sigma Aldrich) and biotinylated pEY (bio-pEY) are used as reaction substrates. 10 uL of substance in 25% DMSO are mixed with 30 uL of IGF-1R-GST solution (67 mM HEPES pH 7.4, 15 ug/mL pEY, 1.7 ug/mL bio-pEY, 13.3 mM MgCl2, 3.3 mM dithiothreitol, 0.0033% Brij 35, 2 ng IGF-1R-GST) in 96-well plates. The reactions are started with 10 uL of a 750 uM ATP solution. After 40 min at RT the reactions are stopped with 50 uL of stop solution (250 mM EDTA, 20 mM HEPES pH 7.4).
6317	1	Enzymatic Assay 	This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each side of the cleavage site, interacting together through fluorescence resonance energy transfer (FRET) as described by Matayoshi et al. (Science 247:954-954, 1990).
6318	1	Enzyme Assay	HIF-PHD2 activity was measured using homogeneous TR-FRET technology (see also, US2008/004817; Dao J H et al., Anal Biochem. 2009, 384:213-23). To each well of a 1/2 Area 96-well plate was added 2 &#956;L of test compound in DMSO and 40 &#956;L of assay buffer (50 mM Tris PH7.4/0.01% Tween-20/0.1 mg/ml BSA/1 mM Sodium ascorbate/20 &#956;g/ml Catalase/10 &#956;M FeSO4) containing 600 nM full length PHD2. After a 30 min preincubation at room temperature, the enzymatic reactions were initiated by the addition of 8 &#956;L of substrates (final concentrations of 0.2 &#956;M 2-oxoglutarate and 0.5 &#956;M HIF-1&#945; peptide biotinyl-DLDLEMLAPYIPMDDDFQL). After 2 hr at room temperature, the reactions were terminated and signals were developed by the addition of a 50 &#956;L quench/detection mix to a final concentration of 1 mM ortho-phenanthroline, 0.1 mM EDTA, 0.5 nM anti-(His)6LANCE reagent, 100 nM AF647-labeled Streptavidin, and 30 nM (His)6-VHL-elonginB-elonginC complex.
6319	1	Radioligand Binding Assay	Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). Incubations of test ligands (or standard) with 0.2 nM [3H]4-DAMP were incubated for 120 minutes at 22 C. using human M3 receptor-expressing cell homogenates. Specific ligand binding to the receptors was defined as the difference between the total radioligand binding and the nonspecific binding determined in the presence of an excess of unlabelled ligand (10 atropine). The results were expressed as a percent of control specific binding ((measured specific binding/control specific binding)x100) obtained in the presence of various concentrations of the test compounds.
6320	1	Scintillation Proximity Assay	The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxin-1. Cell membranes of hCCR3 C1 cells were again homogenized by passing through a single use needle (Terumo, 23Gx1'') and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well) in 96 well microtiter plates (1450-514, Perkin Elmer). The SPA assay was set up in the SPA incubation buffer with a final volume of 200 ul and final concentration of 25 mM HEPES, 25 mM MgCl2 6H2O, 1 mM CaCl2 2H2O and 0.1% bovine serum albumin. The SPA assay mixture contained 60 ul of the membrane suspension, 80 ul of Wheat Germ Agglutinin coated PVT beads (organic scintillator, GE Healthcare, RPNQ-0001) 0.2 mg/well), 40 ul of recombinant human 125Jodine-eotaxin-1 (Biotrend), diluted in SPA buffer to a final concentration of 30.000 dpm per well.
6321	1	Enzyme Assay	Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100 mM Na phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 &#956;M and detailed kinetic studies with doubling dilutions of substrate from 250 &#956;M. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader. 
6321	2	Enzyme Assay	The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate format, in which 7 test compounds can be tested in parallel with a positive control comprising a known cathepsin S inhibitor comparator. The first test compound prepared in DMSO is added to column 1 of the top row, typically at a volume to provide between 10 and 30 times the initially determined rough K. The rough Ki is calculated from a preliminary run in which 10 &#956;l/well of 1 mM boc-VLK-AMC (1/10 dilution of 10 mM stock in DMSO diluted into assay buffer) is dispensed to rows B to H and 20 &#956;l/well to row A of a 96 well Microfluor plate. 2 &#956;l of each 10 mM test compound is added to a separate well on row A, columns 1-10. Add 90 &#956;l assay buffer containing 1 mM DTT and 2 nM cathepsin S to each well of rows B-H and 180 &#956;l to row A.
6321	3	Enzyme Assay	The enzyme is commercially available human cathepsin L (for example Calbiochem). The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assay buffer is 100 mM sodium acetate 1 mM EDTA, pH5.5) The DMSO stock (10 mM in 100% DMSO) is diluted to 10% in assay buffer. Enzyme is prepared at 5 nM concentration in assay buffer plus 1 mM dithiothreitol just before use. 2 ul of 10 mM inhibitor made up in 100% DMSO is dispensed into row A. 10 &#956;l of 50 &#956;M substrate (=1/200 dilution of 10 mM stock in DMSO, diluted in assay buffer).
6322	2	P. aeruginosa MurC assay	The reactions (50 &#956;L) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 &#956;M UNAM, 38 &#956;M ATP, 28 &#956;M L-alanine, 2 &#956;g/mL Poly uridine nucleic acid, 0.1 &#956;M Polynucleotide Phosphorylase, 0.25X ribogreen and 3 nM enzyme in 384-well plate at 25 C for 60 minutes.
6322	1	E.coli MurC assay	The reactions (25 &#956;L) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 &#956;M UNAM, 100 &#956;M ATP, 40 &#956;M L-alanine and 15 nM enzyme in 384-well plate at 25 C for 50 minutes.
6323	1	EMSA	Binding assays containing 25 mM MOPS pH 7.5, 1.25 mM MgCl2, 20 nM Cy5-dT15, and 200 nM NS3h_1b were incubated 5 min at RT. Following addition of indicated concentrations of ebselen, the binding reactions were incubated another 5 min at 23 C.
6324	1	MSA assay	Measurement of kinase activity was carried out using an MSA assay kit (QuickScout Screening Assist Kit, Carna Biosciences, Inc.). Assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM dithiothreitol, pH 7.5) was used to prepare a substrate mixture solution comprising 4 &#956;M of a kinase-reaction substrate (FITC-labeled MCM2 peptide), 40 mM MgCl2, and 20 &#956;M ATP.  The enzyme supplied in the kit (human Cdc7/human ASK complex protein) was diluted in the assay buffer so as to be at 7 nM, thereby preparing an enzyme solution.  The stock solution of each test compound was diluted in DMSO to prepare diluted DMSO solutions of 10 concentrations (0.00003 mM, 0.0001 mM, 0.0003 mM, 0.001 mM, 0.003 mM, 0.01 mM, 0.03 mM, 0.1 mM, 0.3 mM, 1 mM), each of which was further diluted 25 times in the assay buffer to make a drug solution (a solution containing 4% DMSO).
6325	1	Binding Assay	SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et al., J. Med. Chem. 44:29900-3000, (2001); Hocart et al., J. Med. Chem. 41:1146-1154, (1998); J. Med. Chem. 50, 6292-6295 (2007) and J. Med. Chem. 50, 6295-6298 (2007)). Binding assays were performed using (3-125I-Tyr11)-SRIF-14 or (3-125I-Tyr11)-SRIF-28 as the radioligand (used at 0.1 nM) and The Packard Unifilter assay plate. The assay buffer consisted of 50 mM TrisHCl (pH 7.8) with 1 mM EGTA, 5 in M MgCl2, leupeptin (10 &#956;g/mL), pepstatin (10 &#956;g/mL), bacitracin (200 &#956;g/mL), and aprotinin (0.5 &#956;g/mL). 
6326	1	Radioligand Binding Assay I 	For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 receptors, were washed with HEPES (10 mM, pH 7.5), scraped off the culture plates with the same buffer, and centrifuged at 4 C for 5 min at 2500 x g. The cell pellet was either stored at -80 C or used directly. Before the experiments, cell membranes were re-suspended in binding assay buffer (10 mM HEPES, 0.5% (w/v) bovine serum albumin, pH 7.5) by homogenisation with a Polytron homogeniser at 50 Hz for 20 s. In competition experiments, cell homogenates (150&#956;&#921;) were incubated in assay buffer (10 mM HEPES, pH 7.5, 0.5 % (w/v) bovine serum albumin, 5 mM MgCI2, 1 mMCaCI2, and tween 0.05%) for 1 h at room temperature with about 100 pM of the radioligand ([125l]orexin A, 2100 Ci/mmole, 50 &#956;&#921;), and with various concentrations of compounds of the invention (50 &#956;&#921;) in triplicates.
6326	2	Radioligand Binding Assay II 	For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 receptors, were washed with HEPES (10 mM, pH 7.5), scraped off the culture plates with the same buffer, and centrifuged at 4 C for 5 min at 2500 x g. The cell pellet was either stored at -80 C or used directly. Before the experiments, cell membranes were re-suspended in binding assay buffer (10 mM HEPES, 0.5% (w/v) bovine serum albumin, pH 7.5) by homogenisation with a Polytron homogeniser at 50 Hz for 20 s. In competition experiments, cell homogenates (150&#956;&#921;) were incubated in assay buffer (10 mM HEPES, pH 7.5, 0.5 % (w/v) bovine serum albumin, 5 mM MgCI2, 1 mMCaCI2, and tween 0.05%) for 1 h at room temperature with about 1 nM of the radioligand [3H]-SB649868, 66 Ci/mmole, 50 &#956;&#921;), and with various concentrations of compounds of the invention (50 &#956;&#921;) in triplicates.
6327	1	Inhibition Assay	The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (Ake Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348]. The enzyme (1 nM) was incubated in 50 mM HEPES, pH 7.5, 10 mM DTT, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 &#956;M NS4A cofactor and inhibitor at 30 C. for 10 min, whereupon the reaction was initiated by addition of 0.5 &#956;M substrate. Inhibitors were dissolved in DMSO, sonicated for 30 sec. and vortexed.
6328	1	In Vitro Kinase Assay	PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor&#39;s instructions. This cell-free assay is based on the ability of recombinant PDK-1, in the presence of DMSO vehicle or the test agent, to activate its downstream kinase serum- and glucocorticoid-regulated kinase (SGK.) which, in turn, phosphorylates the Akt/SGK-specific peptide substrate RPRAATF with [&#947;-32]-ATP. The [32P]-phosphorylated peptide substrate was then separated from the residual [&#947;-32P]-ATP using PS1 phosphocellulose paper and quantitated by a scintillation counter after three washes with 0.75% phosphoric acid.
6329	1	Binding Assay	Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTP&#947;S binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at &#8722;80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
6330	1	In Vitro Assay	This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were purchased from Cytoskeleton Inc. (Denver, Colo., USA). The motor domain of human KSP (Eg 5, KNSL1) was cloned, expressed, and purified to greater than 95% homogeneity. Biomol Green was purchased from Affinity Research Products Ltd. (Matford Court, Exeter, Devon, United Kingdom). Microtubules and KSP motor protein (i.e., the KSP motor domain) were diluted in assay buffer (20 mM Tris-HCl (pH 7.5), 1 mM MgCl2, 10 mM DTT and 0.25 mg/mL BSA) to a final concentration of 35 &#956;g/mL microtubules and 45 nM KSP. The microtubule/KSP mixture was then pre-incubated at 37 C. for 10 min to promote the binding of KSP to microtubules.
6331	1	Radio Ligand Binding Assay	Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffer (10 mM HEPES, pH 8.0, 100 mM NaCl, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid-free BSA, 0.05% Tween-20). The radioligand [3H]4 (example 39) (specific activity 1500 GBq/mmol) is diluted directly into the assay buffer immediately before use to obtain a 20 nM solution. The desired amount of membranes (20 &#956;g/well) is diluted with assay buffer. 50 &#956;L of pre-diluted compound and 50 &#956;L of [3H]4 (example 39) is placed into the bottom of a 96-well well plate. 100 &#956;L of the membrane-suspension is added and the plate stirred for 60 minutes. The reaction is stopped by transfer onto the filter of a 96-well GF/C filter plate (soaked for 1 hour in 0.25% PEI) using a cell harvester. 
6332	1	Binding Assay	The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 &#956;g/well were incubated with 125I-glucagon at 0.3 nM and in the presence of compound for 2 hours at room temperature in a total reaction volume of 40 &#956;L per well. Assay buffer consisted of 50 mM HEPES, pH 7.4, 5 mM MgCl2, 1 mM CaCl2 and 0.2% BSA. 30 &#956;L of the reaction was then transferred to PEI treated filter plates and followed by filter aspiration. Plates were then washed 5x and allowed to dry at room temperature overnight. The next day the bottom of the plate was covered with seal tape and scintillant was added. Total counts retained by the filters were quantified with a Top Count instrument.
6333	1	FRET Assay	We have developed effective assays to monitor the inhibition of CBF&#946;-SMMHC binding to the Runt domain (as well as for CBF&#946; binding to the Runt domain). We fused the green fluorescent protein derivative Cerulean to the N-terminus of the Runt domain and the green fluorescent protein derivative Venus to the N-terminus of CBF&#946;-SMMHC (as well as to CBF&#946; (Gorczynski, Grembecka et al. 2007)). The ratio of the emission intensities at 525 nm and 474 nm, measured after excitation at 433 nm, was used as the readout in this assay. The dynamic range for the FRET assay was determined by adding a 30-fold excess of untagged CBF&#946;-SMMHC (or CBF&#946; in the case of CBF&#946; Runt domain binding) to the assay and the associated change in the FRET ratio was defined as 100% inhibition.
6334	1	In Vitro Inhibition Assay	The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substance solutions are introduced into the wells of microtiter plates (Isoplate; Wallac Inc., Atlanta, Ga.). Then 50 uL of a dilution of the PDE9A preparation described above are added. The dilution of the PDE9A preparation is chosen so that less than 70% of the substrate is converted during the subsequent incubation (typical dilution: 1:10000; dilution buffer: 50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H] guanosine 3',5'-cyclic phosphate (1 uCi/uL; Amersham Pharmacia Biotech., Piscataway, N.J.) is diluted 1:2000 with assay buffer (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA) to a concentration of 0.0005 uCi/uL.
6335	1	GSNOR Assay	GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM NaPO4 (pH 7.4), 0.480 mM GSNO. 396 &#956;L of GSNO Solution is added to a cuvette followed by 8 &#956;L of test compound in DMSO (or DMSO only for full reaction control) and mixed with the pipette tip. Compounds to be tested are made up at a stock concentration of 10 mM in 100% DMSO. 2 fold serial dilutions are done in 100% DMSO. 8 &#956;L of each dilution are added to an assay so that the final concentration of DMSO in the assay is 1%. The concentrations of compounds tested range from 100 to 0.003 &#956;M. Enzyme/NADH Solution: 100 mM NaPO4 (pH 7.4), 0.600 mM NADH, 1.0 &#956;g/mL GSNO Reductase. 396 &#956;L of the Enzyme/NADH Solution is added to the cuvette to start the reaction. 
6336	1	Urease Inhibition Assay	The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and 10 uL of test compound.  The mixture was incubated in a 96-well plate at 30 uC for 30 min, followed by the addition of equal volumes (40 uL) of phenol reagents (1% w/v phenol and 0.005% w/v sodium nitroprusside) and alkali reagent (0.5% w/v NaOH and 0.1% active chloride NaOCl, and the absorbance was measured.
6337	1	Inhibitory Activity Assay	The reaction mixture contained 160 uL of reaction buffer [50 mM Tris-HCl (pH 8.0), 100 mM NaCl, 5 ug/mL bovine serum albumin (BSA), 5 uM CaCl2, and 10 mM anilinonaphthalene sulfonate (ANS)], 20 uL of substrate stock solution (2 mM DMPC), and 2 mM of sodium deoxycholate in water.  After 5 min of sonication, 10 uL of inhibitor stock solution (in DMSO) were incubated at 28 uC for 10 min.  The reactions were started by adding 10 uL of hnps-PLA2 stock solution (0.1 mg/mL) and monitored by excitation at 377 nm and emission at 470 nm.
6338	1	PLD In Vitro Kinetic Assay	PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates.  All assays were performed at 37 C with agitation for 30 min.  Reactions were stopped by the addition of trichloroacetiacid and boovine serum albumin. Inhibitors (0.1 nM - 0.1 mM concentration) were added.  Serial dilutions were made from a small initial volume of inhibitor 0.1 mM stock in 5% DMSO.
6339	1	Inhibition of DDP IV In Vitro	The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7.5, 0.1 mg/mL BSA) in a total reaction volume of 50 uL.
6339	2	HypoGen Pharmaphore Generation	The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.
6340	1	Kinase Selectivity	Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.
6341	1	Cyclooxygenase (COX) Inhibition Assay	The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit.  The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5 mM EDTA and 2 mM phenol, with either COX-1 or COX-2 (10 uL) enzyme in the presence of heme (10 uL) was added 10 uL of various concentrations of test drug solutions (0.01, 0.1, 1, 10, 50, and 100 uM in a final volume of 1 mL). The reaction was incubated for 5 min at 37 uC, followed by the addition of 10 uL of AA (100 uM) solution.  The reaction was stopped by the addition of 50 uL of 1M HCl after 2 min.
6342	1	In vitro COX-1 and COX-2 inhibition assay	The reaction mixture contained reaction buffer solution (950 uL, 0.1 M Tris-HCl, pH 8.0 containing 5 mM EDTA and 2 mM phenol), COX-1 or COX-2 (10 uL), heme (10 uL), and test compounds (20uL).  The reaction mixture was incubated for 10 min at 37 uC, followed by the addition of arachidonic acid solution(10 uL, making final concentration 100 uM) to initiate COX reactions. The COX reactions were stopped by addition of 1 M HCl (50 uL) after 2 min, followed by the addition of saturated stannous chloride (100 uL) and incubated for 5 min at room temperature.
6343	1	20S proteasome chymotrypsin-like inhibition assay	The assay was carried out in 50 uL volume, where 1 uL compound was added to 10 uL purified human proteasome (25 ug/mL) and incubated for 15 min and then combined with 39 uL synthesized substrate Suc-Leu-Leu-Val-Tyr-AMC (50 uM). The absorbance was measured 355 nm excitation and 460 nm emission.
6344	1	Human MAO inhibitory test	The reaction mixtures (200 uL), containing recombinant human MAO-A or MAO-B (5 ug/mL) and the test compounds in potassium phosphate buffer (100 mM; pH 7.4), were preincubated at 37 uC for 15 min. The reaction was initiated by the addition of kynuramine (250 uM) in potassium buffer (100 mM; pH 7.4) and incubated further at 37 uC for 20 min. The reaction was stopped by addition of 75 uL of 2N NaOH.
6345	1	Kinase assay	WT eEF-2K (2 nM) was preincubated with various concentrations of inhibitors (0-1000 uM) in assay buffer containing CaCl2 (150 uM), calmodulin (1 uM), triton X-100 (0.01%), and peptide substrate (50 uM) for 60 min. The reactions were started by addition of [gamma-P32]-ATP (100 uM, specific activity = 1000 cpm/pmol).
6346	1	Binding Assay	Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. Synapse 38:438-439 (2000). These papers describe radioactively labeled dopamine receptor selective ligands binding with picomolar affinity and nonselectivity to D2 and D3 dopamine receptors expressed in Sf9 and HEK 293 cells. 125I-IABN binds with 7- to 10-fold lower affinity to human D4.4 dopamine receptors expressed in HEK 293 cells. Dissociation constants (Kd) calculated from kinetic experiments were found to be in agreement with equilibrium Kd values obtained from saturation binding studies. Saturation plots of the binding of 125I-IABN with rat caudate membrane preparations were monophasic and exhibited low nonspecific binding. 
6346	2	Functional Assay	To measure D2 and D3 stimulation of mitogenesis (agonist assay) or D2 and D3 inhibition of quinpirole stimulation of mitogenesis (antagonist assay), CHOp-cells (human receptor) were seeded in a 96-well plate at a concentration of 5,000 cells/well. The cells were incubated at 37C. in alpha -MEM with 10% FBS, 0.05% penicillin-streptomycin, and 200 ug/mL of G418. After 48 hours, the cells were rinsed twice with serum-free alpha -MEM and incubated for 24 hours at 37 C. In the functional assay for agonism, the medium was removed and replaced with 90 ul of serum-free alpha -MEM and 10 ul of test compound in sterile water; in the antagonist assay, the test compound was diluted in sterile water plus 30 nM quinpirole. After another 24-hour incubation at 37 C., 0.25 uCi of [3H]thymidine was added to each well and the plates were further incubated for 2 hours at 37 C. The cells were then trypsinized, and the plates were filtered and counted as usual in the art.
6347	1	Immunofluorescence Resonance Energy Transfer (FRET) Assay	The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate and inhibitor profile of BACE (beta-secretase) and comparison with other mammalian aspartic proteases). In summary, a peptide is designed that is cleaved by the protease. The peptide is labelled with dabcyl at the N terminus and Lucifer Yellow at the C-terminus, such that for an intact peptide the Lucifer Yellow fluorescence is quenched by the dabcyl. When the peptide is cut by BACE2, the quenching is removed and a fluorescent signal is generated. The assay was performed as described in Grueninger et al. 2002 at pH 4.5 using a substrate concentration of 5 &#956;M. A FRET peptide based on the TMEM27 sequence was devised. dabcyl-QTLEFLKIPS-LucY (SEQ ID NO: 1). BACE2 had a high activity against this sequence, which is unrelated to the known APP-based substrates. Conversely, BACE1 had insignificant activity against this peptide.
6348	1	Inhibition Assay	After the present compound dissolved in DMSO was added to become 0.5% DMSO to the reaction buffer consisting of 20 mM tris hydrochloric acid (pH7.4), bovine serum albumin (0.5%), calcium chloride (4 mM), sodium chloride (150 mM) and human HDL (2 mg/ml), the EL enzyme was added (total volume was 20 &#956;l). After 4-hour reaction at 37 C., non-esterified fatty acid (NEFA) generated from HDL by EL was measured with a commercially available assay kit and the amount of NEFA was used as an index of enzyme activity. Considering the enzyme activity without the inhibitor as a control value, the inhibition rate of each concentration of the present compound was calculated, and 50% inhibitory concentration (IC50 value) was calculated from an inhibition curve.
6349	1	In Vitro Ezyme Assay	5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted of the following volumes: 5 uL diluted compound, 10 uL target enzyme preparation, 1 uL substrate, 5 uL assay ATP. From each assay mixture, 10 uL of assay mixture was spotted onto Millipore Multiscreen-PH opaque plates and washed twice for 10 minutes in 1% phosphoric acid. The plates were dried at 40 C. for 30 minutes, then substrate-phosphate complexes were quantitated by scintillation counting. These Millipore plates are in a 96-well format with immobilized P81 phosphocellulose membranes in the wells. Both the phosphorylated and non-phosphorylated form of the substrate bind to the membrane while ATP (unincorporated phosphate) is removed by subsequent wash steps.
6350	1	Alphascreen Assays 	A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3K&#945;, PI3K&#946;, PI3K&#947;, and PI3K&#948;. Enzyme reaction buffer was prepared using sterile water (Baxter, Deerfield, Ill.) and 50 mM Tris HCl pH 7, 14 mM MgCl2, 2 mM sodium cholate, and 100 mM NaCl. 2 mM DTT was added fresh the day of the experiment. The Alphascreen buffer was made using sterile water and 10 mM Tris HCl pH 7.5, 150 mM NaCl, 0.10% Tween 20, and 30 mM EDTA. 1 mM DTT was added fresh the day of the experiment. Compound source plates used for this assay were 384-well Greiner clear polypropylene plates containing test compounds at 5 mM and diluted 1:2 over 22 concentrations.
6351	1	Enzymatic Assay	The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay provides an indication of how effective compounds of the present invention would be in inhibiting HCV NS3/4A proteolytic activity. The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu [COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK ( ke Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348].
6352	1	Enzymatic assay	The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay provides an indication of how effective compounds of the present invention would be in inhibiting HCV NS3/4A proteolytic activity. The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu-y-[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (Ake Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348]. The enzyme (1 nM) was incubated in 50 mM HEPES, pH 7.5, 10 mM DTT, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 uM NS4A cofactor and inhibitor at 30 C. for 10 min.
6353	2	Binding Scintillation Proximity Assay	The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with membranes isolated from Chinese hamster ovary (CHO)-K1 cells stably expressing the cloned human somatostatin receptors. Binding assays were performed in 384 well format using 125I-SS14 as the radioligand for SSTR3. The assay buffer consisted of 50 mM TrisHCl (pH 7.8) with 1 mM EGTA, 5 mM MgCl2, leupeptin (10 &#956;g/mL), pepstatin (10 &#956;g/mL), bacitracin (200 &#956;g/mL), and aprotinin (0.5 &#956;g/mL). CHO-K1 cell membranes were prebound to SPA beads and incubated with unlabelled test compounds and radiolabeled somatostatin in assay buffer. After 5 hours at room temperature, cpm/well was determined. Test compounds were examined in 10 point titrations over a range of concentrations from 0.00001 nM to 1200 nM. Percent inhibition was determined for each data point using binding in the presence of DMSO as the maximum achievable value. 
6354	1	Inhibition Assay	The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cell surface into the culture medium, followed by detection in an ELISA assay Inhibition of BACE2 prevents the cleavage and shedding in a dose-dependent manner.  The stable cell line INS-TMEM27 represents an INS1e-derived cell line with inducible expression (using the TetOn system) of full-length hTMEM27 in a doxycycline-dependent manner. The cells are cultured throughout the experiment in RPMI1640+Glutamax (Invitrogen) Penicillin/Streptomycin, 10% Fetal bovine serum, 100 mM pyruvate, 5 mM beta-mercatptoethanol, 100 micrograms/ml G418 and 100 microgram/ml hygromycin and are grown inadherent culture at 37 C. in a standard CO2 cell culture incubator. INS-TMEM27 cells are seeded in 96-well plates. After 2 days in culture, BACE2 inhibitor is added in a range of concentrations as required by the assay and after a further two hours.
6355	1	Inhibition Assay	Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 uM by serial dilution with DMSO:ACN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v. Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared in phosphate buffer at a concentration of 5 mM. Separate stock solutions of each substrate were prepared in DMSO:MeCN (50:50 v/v), mixed, and diluted in phosphate buffer to obtain a single solution.
6356	1	Activity Assay	HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC, deacetylation of the substrate sensitizes the substrate such that, in a second step, treatment with the detection enzyme produces a fluorophore. HDACs 1 and 6 were expressed as full length fusion proteins. Purified proteins were incubated with 50 &#956;M fluorescently-labeled acetylated peptide substrate and test compound for 2 hours at room temperature in HDAC assay buffer containing 50 mM Tris-HCl (pH 8.0), 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1% DMSO, and 1% BSA. Reactions were terminated by the addition of the Developer after 2 hours, and the development of fluorescence signal, which was relative to the amount of deacetylated peptide, was monitored by time-course measurement of EnVision (PerkinElmer). The HDAC activity was estimated from the slope of time-course measurement of the fluorescence intensity. 
6357	1	In Vitro Assay	In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds were reduced prior to analysis; 1 mM compound was reduced with 30 mM DTT in DMSO overnight at room temperature, protected from light. Reactions were then set up in a 96-well plate. For each reaction 10 &#956;l compound (5x required concentration in assay buffer) was mixed with 15 ml diluted HeIa Nuclear Extract (30-fold in assay buffer). 25 &#956;l diluted Fluor de Lys substrate (100-fold in assay buffer) was added to each reaction, which were then incubated at 37 C for 1 hour. The reaction was stopped by addition of 50 &#956;l Fluor de Lys Developer (20-fold dilution in assay buffer, plus TSA diluted 100-fold). The reactions were then incubated at room temperature for 10 minutes before fluorescence was measured using a CytoFluor Il Fluorescence Multiwell Plate Reader and CytoFluor Il software with filters set at 360 nM for excitation and 460 nM for emission.
6358	2	Enzyme Assays	The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assay buffer, and reactions were initiated by the addition of PTP1B or TCPTP (10-100 nM).
6359	1	Inhibitor Assay	The assay mixture (100 L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 C.
6360	1	pNPP assay	IC50 values were determined by pNPP assay.
6362	1	PTP inhibition assay	The assays were performed in 20 mM MOPS buffer, pH 7.2, containing 50 mM NaCl and 2 mM GSH. Compounds were dissolved in DMSO and diluted to various concentration gradients and further diluted for activity evaluations. Ten microliter of complex was mixed to 82 L enzyme solution for 30 min, followed by addition of 2 L of pNPP (0.1 M) substrate to initiate the reaction. After 30 min at RT, 6 L of 2 M NaOH was added to terminate the reaction. The absorbance was measured at 405 nm.
6363	1	Enzyme Assay	The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme.  47 ul of recombinant human mPGES-1 (0.5 ug protein/well) containing microsomal suspension in a buffer containing GSH, (2.5 mmol/L L-Glutathione reduced, dissolved in 0.1 mol/L Phosphat Buffer pH 7.4) is dispensed in a 384-well plate and thereafter 1 ul of the test compound(s) is/are added and incubated for 25 minutes at room temperature. The enzyme reaction is started by the addition of 2 ul PGH2 (final conc. 2 uM) dissolved in water-free Diglyme. After 60 seconds the reaction is terminated by addition of a stop solution containing FeCl2 (10 uL 0.074 mol/l FeCl2). The samples are diluted between 1:25 in PBS (Phosphate Buffered Saline). 10 ul of the diluted samples are transferred to 384-well low volume plate.
6364	1	Enzyme Inhibition Assay	To check the inhibition profile, 5 &#956;L of serial diluted compounds were incubated with 5 &#956;L of diluted PDE10 enzyme (BPS Bioscience, San Diego, Calif.) or tissue homogenate in a 384-well polystyrene assay plate (Corning, Corning, N.Y.) for 30 min at room temperature. After incubation, 10 &#956;L of diluted fluorescein labeled cAMP or cGMP substrate were added and incubated for 60 min at room temperature. The reaction was stopped by adding 60 &#956;L of diluted binding reagents and plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer. The data were analyzed with GraphPad Prism (La Jolla, Calif.).
6365	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay 	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human SYK activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for SYK was added with magnesium (5 mM final concentration) and ATP (25 &#956;M final concentration). Final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature.
6366	1	Alphascreen Assay 	A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3K&#945;, PI3K&#946;, PI3K&#947;, and PI3K&#948;. Enzyme reaction buffer was prepared using sterile water (Baxter, Deerfield, Ill.) and 50 mM Tris HCl pH 7, 14 mM MgCl2, 2 mM sodium cholate, and 100 mM NaCl. 2 mM DTT was added fresh the day of the experiment. The Alphascreen buffer was made using sterile water and 10 mM Tris HCl pH 7.5, 150 mM NaCl, 0.10% Tween 20, and 30 mM EDTA. 1 mM DTT was added fresh the day of the experiment. Compound source plates used for this assay were 384-well Greiner clear polypropylene plates containing test compounds at 5 mM and diluted 1:2 over 22 concentrations. Columns 23 and 24 contained only DMSO as these wells comprised the positive and negative controls, respectively. Source plates were replicated by transferring 0.5 uL per well into 384-well Optiplates (PerkinElmer, Waltham, Mass.).
6367	1	Radioligand Binding Assay	The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000MC). CHO-K1-hCRTH2 cell membranes are again homogenized by passing through a single use needle (Terumo, 23Gx1") and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well). The SPA assay is set up in 96 well microtiter plates (Perkin Elmer, Cat No. 6005040) in SPA incubation buffer with a final volume of 200 uL per well and final concentration of 50 mM Tris-HCl, 10 mM MgCl2, 150 mM NaCl, 1 mM EDTA pH 7.4, 0.1% bovine serum albumin). The SPA assay mixture contains 60 ul of the membrane suspension, 80 uL of Wheat Germ Agglutinin coated PVT beads (GE Healthcare, RPNQ-0001, 0.3 mg/well), 40 uL of [3H]-PGD2 diluted in SPA buffer to a final concentration of 1 nM (50 000 dpm) and 20 uL of the test compound (dissolved in dimethylsulfoxide). The SPA assay mixture is incubated for 3 h at room temperature.
6368	1	In Vitro Assay	CETP Activity Kit (#RB-RPAK) was purchased from Roar Biochemical, Inc. (New York, N.Y., USA). To each well of a 96-well NBS half-area plate (costar #3686), 1.2 ng/well of the donor solution, 1 uL of the acceptor solution and 5 uL compound solution diluted in 100% DMSO were added in a 38 uL of buffer containing 10 mM Tris, 150 mM NaCl and 2 mM EDTA, pH 7.4. Then, the plate was sealed with Themowell Sealers (costar #6524) and followed by a mixing on a plate shaker by MICROPLATE MIXER MPX-96 (IWAKI) at power 3 for 10 sec at room temperature. After 10-min incubation at 37C., the reaction was started by adding 5 uL of rhCETP solution (Cardiovascular Target, New York, N.Y., USA) and mixed on the plate shaker for 10 sec, then the fluorescence intensity at 0 min was measured by a ARVO SX (Perkin Elmerr, USA) at excitation wavelength of 465 nm and emission wavelength of 535 nm. After 120 min-incubation at 37C., fluorescence intensity was measured again.
6369	1	Tyrosine Kinase Activity Assay	Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Germany) is used. For the assay, 1 uL of a 51-fold concentrated solution of the test compound in DMSO is pipetted into a white 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 25 uL of a solution of c-Met (final concentration 30 nM) and pyruvate kinase/lactate dehydrogenase (Roche Diagnostics, Mannheim, Germany; final concentration 8 mg/L) in assay buffer [3-(N-morpholino)propane-sulfonic acid (MOPS), 50 mM, pH 7; MgCl2, 10 mM; bovine serum albumin (BSA), 0.01%; Triton X 100, 0.01%; DTT, 2 mM] are added, and the mixture is incubated for 5 min at room temperature. Then, the kinase reaction is started by the addition of 25 uL of a solution of adenosine triphosphate (ATP, final concentration 30 uM), substrate (final concentration 100 uM), nicotinamide adenine dinucleotide.
6369	2	Homogeneous Time-Resolved Fluorescence Assay	For the assay, 50 mL of a 100-fold concentrated solution of the test compound in DMSO is pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 uL of a solution of c-Met in assay buffer [25 mM Hepes/NaOH, pH 7.5; 5 mM MgCl2; 5 mM MnCl2; 2 mM dithiothreitol; 0.1% (v/v) Tween 20 (Sigma); 0.1% (w/v) bovine serum albumin] are added, and the mixture is incubated for 15 min at 22 C. to allow pre-binding of the test compound to the enzyme before the start of the kinase reaction. Then, the kinase reaction is started by the addition of 3 uL of a solution of adenosine triphosphate (ATP, 16.7 uM; final concentration in the 5 uL assay volume is 10 uM) and substrate (2.27 ug/mL, final concentration in the 5 uL assay volume is 1.36 ug/mL 30 nM) in assay buffer, and the resulting mixture is incubated for a reaction time of 30 min at 22 C.
6370	1	ATP Depletion Assay	The activity of PIM1 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 uA per well. To start the reaction, 10 ul of 5 nM Pim1 kinase and 80 uM BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 ul of 40 uM ATP in assay buffer is added. Final assay concentrations are 2.5 nM PIM1, 20 uM ATP, 40 uM BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped with the addition of 20 ul KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6370	2	ATP Depletion Assay	The activity of PIM2 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 ul per well. To start the reaction, 10 ul of 10 nM Pim2 kinase and 20 uM BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 ul of 8 uM ATP in assay buffer is added. Final assay concentrations are 5 nM PIM2, 4 uM ATP, 10 uM BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped with the addition of 20 ul KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6370	3	ATP Depletion Assay	The activity of PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 uA per well. To start the reaction, 10 ul of 10 nM Pim3 kinase and 200 uM BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 ul of 80 uM ATP in assay buffer is added. Final assay concentrations are 5 nM PIM1, 40 uM ATP, 100 uM BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped by the addition of 20 ul KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6371	1	Inhibiting Action	The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixture (49 &#956;L) containing 100 mM Tris-HCl (pH 8.0), 1 mM reduced glutathione, 0.1 mg/mL &#947;-globulin, and human H-PGDS (q.s.), and a compound (final concentration: 0.01-100 &#956;M) was preincubated at 25C. for 5 minutes. A DMSO solution (final concentration: 1%) was added to the solvent control group. Subsequently, 1 &#956;L of [14C] prostaglandin H2 (final concentration: 10 &#956;M) was added to start the reaction. One minute after the start of the reaction, 250 &#956;L of a reaction stop solution (diethylether/methanol/1 M citric acid (30/4/1) at a temperature of &#8722;20C. was added to stop the reaction. After the reaction was stopped, 50 &#956;L of the upper-layer portion (organic solvent layer) was applied to a TLC plate and developed at &#8722;20C. for 45 minutes (developing solvent: diethylether/methanol/acetic acid (90/2/1)).
6372	1	Biochemical Assay	Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacement assay. The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) providing a reaction mixture containing: the PARP protein isoform under investigation, a compound of formula (IP): wherein R11 is hydrogen atom or a methyl group, B is (CH2)n NH group wherein n is 2 to 6; m is 0 or 1 and X- is a counterion, andserial dilutions of the test compound; b) comparing the polarization signal generated in the absence of the test compound with the one generated in the presence of different concentrations of the test compound, andc) evaluating the ability of the test compound to displace the compound of formula (IP) as defined above indicated from a decreased fluorescence polarization level.
6373	1	Biological Assay	Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-9755, 2003) Inhibition assays and Ki values were measured using kynuramine (MAO A) and benzylamine (MAO B) as substrates at pH 7.5 according to published procedures (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-9755, 2003). Mouse recombinant LSD2 was expressed in E. coli and purified as described (Karytinos A, et al., J. Biol. Chem. 284:17775-17782, 2009). Human recombinant LSD1/CoREST were expressed in E. coli as separate proteins and co-purified following previously reported procedures (Forneris F, et al. Trends Biochem Sci 33:181-189, 2008). Enzymatic activities and inhibition assays with both demethylases were carried out at pH 7.5-8.0 using a methylated H3 peptide (Forneris F, et al., J. Biol. Chem. 282: 20070-20074 2007, Karytinos A, et al., J. Biol. Chem. 284:17775-17782, 2009).
6374	1	Kinase Screen Assay	KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinases, was utilized for compound 2. The technology is a competition binding assay that profiled the selectivity of compound 2 against 350 kinases, each fused to a proprietary tag. The quantity of each kinase bound to an immobilized, active site-directed ligand was measured in the presence and absence of compound 2.
6375	1	Fluorometric Assay	All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30C. QC activity was evaluated fluorometrically using H-Gln-beta NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of beta -naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-beta NA from H-Gln-beta NA per minute under the described conditions.  In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30C. utilizing the NOVOStar reader for microplates (BMG labtechnologies).
6376	1	Scintillation Proximity Assay	PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one previously described (Fawcett, L. et al., Proc Natl Acad Sci USA (2000) 97(7):3702-3707).The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 ul contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat #SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme.
6377	1	Inhibition Assay	Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulfonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000xg, 4C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000xg, 4C., 10 min). The two supernatants are combined and centrifuged (15 000xg, 4C., 30 min). The pellet obtained in this way is referred to as the P2 fraction. The P2 pellet is suspended in binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and the suspension is centrifuged (15 000xg 4C., 30 min), twice. The residue is resuspended in binding buffer to a concentration of 4 mg/ml and incubated in a volume of 250 ul (amount of membrane protein 0.4 mg) in the presence of 2 nM [3H]-methyllyeaconitine, 0.1% (w/v) BSA (bovine serum albumin).
6378	1	FLIPR Assay	The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 &#956;M) are pipetted onto the cells and the Ca2+ influx is compared with the control (capsaicin 10 &#956;M). This provides the result in % activation based on the Ca2+ signal after the addition of 10 &#956;M of capsaicin (CP). After 5 minutes incubation, 100 nM of capsaicin are applied and the Ca2+ influx is also determined. Desensitising agonists and antagonists lead to suppression of the Ca2+ influx. The % inhibition is calculated compared to the maximum achievable inhibition with 10 &#956;M of capsazepine. Starting from the percentage displacement caused by different concentrations of the compounds to be tested of general formula I, IC50 inhibitory concentrations which cause a 50-percent displacement of capsaicin were calculated. K1 values for the test substances were obtained by conversion by means of the Cheng-Prusoff equation (Cheng, Prusoff; Biochem. Pharmacol. 22, 3099-3108, 1973).
6379	1	Homogeneous Time-Resolved Fluorescence Assay	In vitro inhibition of 11beta -HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes. Briefly, compounds are incubated for 1 hour at 37C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (200 uM) and cortisone (80 nM). Cortisol generated in the reaction is then detected with a competitive immunoassay, involving two HTRF conjugates: cortisol linked to XL665 and anti-cortisol antibody labeled with Europium cryptate. The incubation period for detection reaction is typically 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). The ratio of the two emission signals is then calculated (Em665X10000/Em615).
6380	1	Binding Assay	Compound 2 was examined for its ability to bind human FLAP using a membrane-binding assay. The affinity of Compound 2 for human FLAP was assessed using membranes from human polymorphonuclear leukocytes and tritiated leukotriene synthesis inhibitor, 3H-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid, as a ligand. A non-limiting example of such a FLAP binding assay is as follows: Packed human polymorphonuclear cell pellets (1.8x109 cells) (Biological Speciality Corporation) were resuspended, lysed and 100,000 g membranes prepared as described (Charleson et al. Mol. Pharmacol, 41, 873-879, 1992). 100,000 g pelleted membranes were resuspended in Tris-Tween assay buffer (100 mM Tris HCl pH 7.4, 140 mM NaCl, 2 mM EDTA, 0.5 mM DTT, 5% glycerol, 0.05% Tween 20) to yield a protein concentration of 50-100 ug/mL.
6381	1	Biological Assay	Kinase reaction buffer for p38alpha HTRF assays consists of 50 mM Tris-pH 7.5, 5 mM MgCl2, 0.1 mg/mL BSA, 100 uM Na3VO4 and 0.5 mM DTT. HTRF Detection Buffer:HTRF detection buffer contains 100 mM HEPES-pH 7.5, 100 mM NaCl, 0.1% BSA, 0.05% Tween-20, and 10 mM EDTA. Serial Dilution of Compounds: Compounds were dissolved in 100% DMSO and serially diluted (3 fold, 10 point) in a polypropylene 96-well microtiter plate (drug plate). The final starting concentration of compounds in the p38alpha enzymatic assays was 1 uM. Columns 6 and 12 (HI controls and LO controls respectively) in the drug plate were reserved as controls and contained only DMSO.Kinase Reaction: The p38alpha kinase reactions were carried out in a polypropylene 96-well black round bottom assay plate in total volume of 30 uL kinase reaction buffer.
6382	1	Alphascreen Assay	The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Kalpha, PI3Kbeta, PI3Kgamma, and PI3Kdelta. Each of these enzymes phosphorylates the 3'-hydroxyl group on phosphatidylinositiol (4,5)-bisphosphate (PIP2) to produce phosphatidylinositol (3,4,5)-trisphosphate (PIP3). This phosphorylation activity is measured using a GST-tagged PIP3 binding protein (Echelon Biosciences, Salt Lake City, Utah), an anti-GST-tagged Acceptor bead, and streptavidin-Donor bead. The interaction of biotinylated-PIP3 analog (IP4) and the PIP3 binding protein brings both Acceptor and Donor beads together producing, upon excitation of the Donor beads at 680 nm, a singlet oxygen species leading to the luminescent AlphaScreen signal. When PIP3 is produced via phosphorylation of PIP2 by a PI3K, PIP3 competes with biotinylated-PIP3 analog (IP4) for binding to the PIP3 binding protein.
6382	2	In Vitro Inhibition Assay	The Invitrogen (Carlsbad, Calif.) mammalian target of rapamycin (mTOR) Lanthascreen assay can be used to quantitate mTOR kinase activity in an in vitro setting. Active mTOR phosphorylates eukaryotic translation initiation factor 4E binding protein 1 (4E-BP1) on residue threonine 46. This phosphorylation event can be detected with a phospho-specific terbium (Tb) labeled Ab, in turn bringing the Tb label in close proximity to the GFP tagged 4E-BP1 and allowing for time-resolved fluorescence resonance energy transfer (TR-FRET), which correlates 4E-BP1 phosphorylation levels with mTOR kinase activity.
6383	1	Homogenous Time-Resolved Fluorescence Resonance Energy Transfer Assay	The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This competition based assay is formatted using a cAMP specific antibody labeled with the dye, Alexa Fluor 647, biotin-cAMP and streptavidin labeled with Europium (Eu-SA). As the complex of Eu-SA/biotin-cAMP/Alexa Fluor 647 labeled antibody is formed, an increase in signal is generated. When there is PDE activity, resulting in the degradation of the cyclic nucleotide, the complex is not formed and a decrease in signal is observed. The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5 mM MgCl2, pH 7.4. PDE10A (BPS Bioscience) was used at 200 pg/well (with a specific activity of 3200 pmole/min/ug with assay conditions: 10 mM Tris-HCl, pH7.4, 10 mM MgCl2, 1 mM MnCl2, 200 uM cAMP, 2.5 kU 5'nucleotidase, 37 C, 20 min).
6384	1	Kinase Glo Luminescence Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% BSA; 0.01% CHAPS; 100 uM Na3VO4; 0.5 mM DTT) and 10% glycerol at -80 C until use. The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase. The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM.
6385	1	In Vitro Kinase Assay	One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. The ATP concentration in the reactions was 90 uM for JAK1, 30 uM for JAK2 and 3 uM for JAK3. Reactions were carried out at room temperature for 1 hr and then stopped with 20 uL 45 mM EDTA.
6385	3	TYK2 Assay	TYK2 assays described by James E. Thompson et. al, Photochemical preparation of a pyridone containing tetracycle: A JAK protein kinase inhibitor, Bioorganic & Medicinal Chemistry Letters, Volume 12, Issue 8, 22 Apr. 2002, Pages 1219-1223].
6385	2	HTRF Kinase Assay	HTRF kinase assay: 40 &#956;L reactions were run in black 384 well polystyrene plates in assay buffer (50 mM Tris, pH 7.8, 100 mM NaCI, 0.1 mg/mL BSA, 5 mM DTT), containing 0.5 &#956;M Biotinylated peptide substrate, 10 mM MgCl2, 90 &#956;M ATP, and 0.25 nM enzyme for 2 hours at 25° C. Reactions were stopped by addition of 20 &#956;L assay buffer supplemented with an additional 50 mM NaCl, 0.4 mg/mL BSA, 45 mM EDTA, 4.5 nM LANCE Eu-W1024 labeled anti-phosphotyrosine antibody and 200 nM streptavidin conjugated SureLight-allophycocyanin. Plates were read in Fusion &#945;-FP instrument (Perkin-Elmer). 
6386	1	Enzymatic Assay	The products are solubilized in DMSO at a concentration of 10 mM. A serial 3-fold dilution over 10 points is carried out so as to have a concentration range of from 10 uM to 0.5 nM final concentration. The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19,155-161) and is added so as to have a signal equivalent to 6 times the background noise in 2 h at 37C. The reaction is carried out in 50 mM Tris buffered medium containing 4% glycerol, pH 7.4. The fluorescent substrate is MCA-Pro-Leu-Ala-Val-(Dpa)-Arg-Ser-Ser-Arg-NH2 (R&D systems, reference: ES003). The substrate is cleaved by the enzyme between the alanine and the valine, thus releasing a fluorescent peptide (excitation: 320 nm, emission: 420 nm). The substrate is used at 40 uM. The reaction is carried out in a final volume of 10 ul (4 ul inhibitor, 4 ul substrate, 2 ul enzyme) in a low volume 384-well plate (Corning reference: 3676).
6387	1	Inhibitory Assay	Enzymatic activity of enzyme was evaluated using pNPP assay. Briefly, a reaction mixture (100 µL) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and recombinant enzymes was monitored at 405 nm for 2 min at 30 °C.
6388	1	Scintillation Proximity Assay	Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a Scintillation Proximity Assay format (adapted from S. Charleson et al., Mol. Pharmacol., 1992, 41, 873-879).  Cell pellets produced from sf9 insect cells expressing recombinant human FLAP protein are resuspended in buffer A [15 mM Tris-HCl (pH 7.5), 2 mM MgCl2, 0.3 mM EDTA, 1 mM PMSF]. The cells are lysed with a Dounce homogenizer and the material is centrifuged at 10,000xg for 10 minutes. The supernatant is then collected and centrifuged at 100,000xg for 60 minutes. To prepare membrane protein for an assay, an aliquot of the 100,000xg pellet is resuspended in 1 ml of buffer A, Dounce homogenized, and finally subjected to polytron mixing (30 seconds). Membrane protein (25 ul, 5 ug) is mixed with WGA SPA beads (Amersham) and stirred for 1 h. To an assay plate (Perkin Elmer FlexiPlate) is added 25 ul of test compound.
6389	1	Signal Transduction Inhibitory Assay	The biological activity of a compound was determined by measuring the activation of Smad3/Smad4 complex which is a transcription factor showing activation induced by TGF-beta stimulation. That is, a reporter plasmid having a DNA sequence (CAGA sequence), which is activated by binding to Smad3/Smad4 complex, is linked to the upstream of the luciferase gene (luminescence enzyme) was prepared. Mink lung epithelial cells CCL64 (named as x9CAGA/CCL64 cells) stably incorporating this reporter plasmid were established. The x9CAGA/CCL64 cells were cultured in DMEM medium containing 10% FBS, penicillin (100 U/ml), streptomycin (100 g/ml), and blasticidin S (1 ug/ml). The x9CAGA/CCL64 cells were seeded in a 96 well plate at a concentration of 10000 cells/well, and cultured in a 5% CO2 incubator at 37C. The next day, the medium was changed to DMEM medium containing 0.2% FBS, and the test compound was added.
6390	1	Inhibition Assay	Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer composed of 50 mM HEPES pH 7.5, 10 mM MgCl2, 1.75 mM Na3VO4.  Various concentrations of the test compound or vehicle controls were pre-incubated for one hour with 0.055 ug/ml of the human p38alfa (SAPKa) enzyme (obtained from University of Dundee). The reaction was started by addition of biotinylated ATF2 substrate and ATP in concentrations around their Km values (final concentration 0.62 uM and 60 uM respectively) and took place for one hour at 25 C. Addition of the detection reagents, streptavidin XL665 and anti-phosphoresidue antibody coupled to Europium cryptate, caused the juxtaposition of the cryptate and the XL665 fluorophore, resulting in fluorescence energy transfer (FRET). The FRET intensity depends on the amount of bounded cryptate antibody, which is proportional to the extent of substrate phosphorylation.
6391	1	Functional Assay	The ability of the compounds to bind and interact with the human H3 receptor as agonists, inverse agonists and/or antagonists, is determined by a functional assay, named [35S]GTPgammaS assay. The assay measures the activation of G proteins by catalyzing the exchange of guanosine 5'-diphosphate (GDP) by guanosine 5' -triphosphate (GTP) at the -subunit. The GTP-bounded G proteins dissociate into two subunits, GGTP and Gbetagamma, which in turn regulate intracellular enzymes and ion channels. GTP is rapidly hydrolysed by the G-sub-unit (GTPases) and the G protein is deactivated and ready for a new GTP exchange cycle. To study the function of ligand-induced G protein coupled receptor (GPCR) activation by an increase in guanine nucleotide exchange at the G proteins, the binding of [35S]-guanosine-5'-O-(3-thio)triphosphate [35S] GTPgamma, a non-hydrolysed analogue of GTP, is determined.
6392	1	FRET Assay	Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten &#956;L of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25 &#956;L of 50 mM KH2PO4, pH 4.6, 1 mM TRITON X-100, 1 mg/mL Bovine Serum Albumin, and 15 &#956;M of FRET substrate) (See Yang, et. al., J. Neurochemistry, 91(6) 1249-59 (2004)). The content is mixed well on a plate shaker for 10 minutes. Fifteen &#956;L of two hundred &#956;M human BACE1 (1-460):Fc (See Vasser, et al., Science, 286, 735-741 (1999)) in the KH2PO4 buffer is added to the plate containing substrate and test compounds to initiate the reaction. The RFU of the mixture at time 0 is recorded at excitation wavelength 355 nm and emission wavelength 460 nm, after brief mixing on a plate shaker. The reaction plate is covered with aluminum foil and kept in a dark humidified oven at room temperature for 16 to 24 h. 
6393	1	AlphaScreen Competitive Assay	The HSP90-binding activity was measured by an AlphaScreen competitive assay system. The purified HSP90 solution was diluted with a binding buffer (50 mM Tris-HCl (pH 7.5), 150 mM NaCl, 0.1% Triton-X100, 1 mM DTT, 0.1% BSA) and added to a 384-well plate (No. 3673, Corning Incorporated) containing test substances. After reaction at room temperature for 2 hr, biotin-labeled geldanamycin was added to each reaction solution in an amount of 40 nM, followed by reaction for further 1 hr. Detection mix (20 mM HEPES-KOH (pH 7.5), 0.5% BSA, 0.04 mg/mL Nickel Chelate Acceptor beads, 0.04 mg/mL Streptavidin-coated Donor beads) (No. 6760619C, Perkin Elmer, Inc.) was added to each well in the same amount as that of the reaction solution. After reaction in a dark place at room temperature for 1 hr, the fluorescence intensity in each well was measured with a multilabel plate reader, EnVision (Perkin Elmer, Inc.).
6394	1	Binding Assay	Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Complete protease inhibitors (Roche). The cell suspension was disrupted with a laboratory homogenizer and centrifuged at 48,000 g to isolate membranes. The pellets were resuspended in harvest buffer plus 250 mM sucrose and stored at &#8722;70C. For binding assays, 20 &#956;g of membranes were incubated in 1 ml binding buffer (10 mM HEPES, pH 7.4, 5 mM MgCl2, and 0.2% BSA) for 3 hours at room temperature containing 10 pM 125I-hCGRP (GE Healthcare) and antagonist. The assay was terminated by filtration through 96-well GFB glass fiber filter plates (PerkinElmer) that had been blocked with 0.05% polyethyleneimine. The filters were washed 3 times with ice-cold assay buffer (10 mM HEPES, pH 7.4 and 5 mM MgCl2). Scintillation fluid was added and the plates were counted on a Topeount (Packard).
6395	1	IMAP Assay	Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final total protein concentration in the assay 4 nM. The 5TAMRA-cdk7tide peptide substrate, 5TAMRA-YSPTSPSYSPTSPSYSTPSPS--COOH, is purchased from Molecular Devices, cat#R7352. The final concentration of peptide substrate is 100 nM. The ATP substrate (Adenosine-5'-triphosphate) is purchased from Roche Diagnostics, cat#1140965. The final concentration of ATP substrate is 6 uM. IMAP (Immobilized Metal Assay for Phosphochemicals) Progressive Binding reagent is purchased from Molecular Devices, cat#R8139. Fluorescence polarization (FP) is used for detection. The 5TAMRA-cdk7tide peptide is phosphorylated by Cdk9/cyclinT1 kinase using the ATP substrate. The Phospho-5TAMRA-cdk7tide peptide substrate is bound to the IMAP Progressive Binding Reagent.
6396	1	Kinase Inhibition Assay	Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity were carried out with reference to the method disclosed in Biochem. J. Vol. 385, pp 399-408 (2005). In the preparation of AKT1 and AKT2, human AKT1 and AKT2 to which a middle T antigen tag was added were expressed in Sf 9 insect cells, and then AKT1 and AKT2 were prepared following affinity purification and activation by PDK1. The prepared AKT1 and AKT2 were stored at 80C. until the time of measurement of inhibitory activity of the compounds. In the measurement of inhibitory activity of the compounds, AKT1 or AKT2 and each compound of the present invention were preincubated at 25C. for 120 minutes in a buffer solution for reaction (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT). As a substrate, biotinylated Crosstide (bioton-KGSGSGRPRTSSFAEG), MgCl2, and ATP were added to final concentrations.
6397	1	Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS. Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMV-EGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1alpha peptide corresponding to residues 556-574 is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 uM), 2-oxoglutarate (3.2 uM), HIF-1alpha (8.6 uM), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration.
6397	2	ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 &#956;L of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.).
6398	1	Alphascreen Assay	The AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume in 384-well Optiwell microtiter plates (Perkin Elmer). The reaction buffer contained 25 mM Tris-HCl (pH 7.4), 150 mM NaCl, 1 mM MgCl2, 0.01% (v/v) Tween-20 and 0.1% (w/v) bovine serum albumin. His6-tagged integrase (300 nM final concentration) was incubated with the compounds for 30 min at 4C. The compounds were added at varying concentrations spanning a wide range from 0.1 up to 100 uM. Afterwards 100 nM flag-LEDGF/p75 was added and incubation was prolonged for an additional hour at 4C. Subsequently 5 ul of Ni-chelate-coated acceptor beads and 5 ul anti-flag donor beads were added to a final concentration of 20 ug/ml of both beads. Proteins and beads were incubated for 1 h at 30C. in order to allow association to occur.
6399	1	Receptor Binding Assay	[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specifically, 50 ul of [3H] citalopram (final concentration: approximately 2 nM) diluted with SERT buffer, 149 ul of the h-SERT/CHO membrane preparation (40 ug/well in terms of the amount of the protein), and 1 ul of a solution of a test drug dissolved in DMSO were added to prepare 200 ul in total of a solution. This solution was reacted at room temperature for 60 minutes and then immediately suction-filtered at a low pressure using a glass fiber filter paper coated with a 0.05% aqueous polyethyleneimine solution. The glass fiber filter paper was washed twice with 250 ul of SERT buffer and then transferred to a glass vial containing 4 ml of ACS-II (manufactured by GE Healthcare (formerly Amersham Biosciences)). Radioactivity remaining on the filter paper was measured using a liquid scintillation counter.
6399	2	Receptor Binding Assay	The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-OH-DPAT (final concentration: 0.5 nM), 1 ul of a test drug solution, and 149 ul of the h-5-HT1A/CHO membrane preparation (25 ug/well in terms of the amount of the protein) were added into a buffer containing 50 mM Tris-HCl (pH=7.4) and 4 mM CaCl2, and 200 ul in total of the reaction solution was used in the assay. The reaction solution was reacted at room temperature for 30 minutes and then immediately suction-filtered at a low pressure using a glass fiber filter paper. The glass fiber filter paper was washed twice with 250 ul of 50 mM Tris-HCl (pH=7.4) and then added to a counting vial containing 4 ml of ACS-II (manufactured by GE Healthcare (formerly Amersham Biosciences)). Receptor binding-derived radioactivity remaining on the filter paper was measured using a liquid scintillation counter.
6399	3	Inhibition Assay	Procedure:    1. A 10 mM solution of a test drug in DMSO was serially diluted with DMSO at four 5-fold dilutions to prepare 10, 2, 0.4 and 0.08 mM DMSO solutions.    2. Each test drug solution of step 1 or DMSO was diluted 160-fold with the human liver microsome solution and dispensed at a concentration of 80 uL/well to a microplate.    3. 10 uL of the substrate solution and 10 uL of the beta-NADPH solution were added to each well of step 2, and the mixture was incubated at 37C. for 10 min.    4. The reaction was terminated by the addition of 300 uL of methanol.    5. The reaction mixture was filtered and analyzed by LC-MS/MS.    3-4 Quantification and CalculationThe amount of 1'-hydroxybufuralol formed was determined by LC-MS/MS, and this value was used as the metabolic activity value of CYP2D6 in each well. The residual activity of each sample-supplemented group was determined by comparison with the activity in the well containing DMSO used as a test drug.
6400	1	Enzyme Activity Assay	The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibitor test compounds. Recombinant human and mouse PrCP enzymes from CHO or HEK expression systems (with comparable results for HEK enzymes) were prepared in-house and used in the assay. The assay was run on a Perkin Elmer Envision 2103 plate reader using a 320 nm excitation filter and a 405 emission filter. The assay was performed using a Hamilton Star liquid handling workstation. The assay employed the internally quenched fluorescent substrate (1S)-1-carboxy-5-[(2,4-dinitrophenyl)amino]pentyl N-[(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl]-L-alanyl-L-prolinate prepared in house. The assay was run in a 384-well microtiter plate at 37 ° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or 0.09 nM mouse PrCP (CHO) enzyme, 15 uM substrate and varying concentrations of inhibitor in buffer.
6401	1	Receptor Activity Assay	The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit &#945;5 of the human GABAA receptor, and also the subunits beta2 (short) and gamma2 (long). The cells are maintained in the presence of a selection of three antibiotics, neomycin, zeocin and puromycin in a Dulbecco medium (DMEM) containing 10% (v/v) foetal bovine serum. On the day before the experiment, the cells are transferred to 96-well plates (in a density of 50,000 cells/well). The cells are then preincubated for 40 minutes with the compounds under test and are treated with GABA. The membrane potential is monitored using a blue FMP marker (Molecular Devices), following the instructions of the manufacturer. The responses are recorded for 120 seconds on a FlexStation3 plate reader (Molecular Devices, USA).
6402	1	Enzyme Inhibition Assay	A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly, the byproduct of NadD catalyzed reaction, inorganic pyrophosphate (PPi), was hydrolysed by inorganic pyrophosphatase and the resulting orthophosphate was detected by the Malachite Green dye. The reaction mixture contained 2.3 nM ecNadD (or 1.2 nM baNadD) in 100 mM Hepes, pH 7.5 buffer, 0.2 mM ATP, 0.07 or 0.2 mM NaMN, 10 mM MgCl2, 0.1 mg/ml Bovine Serum Albumin, 0.2 U inorganic pyrophosphatase. Appropriate amount of inhibitors were added to the reaction mixture to assess their effect on enzyme activity. After preincubation of the enzyme with the compounds for 5 min at room temperature, the reaction was started by adding NaMN substrate. The reaction was quenched with two volumes of Malachite Green Reagent in 1.2 M sulfuric acid prepared as described by Cogan et al.A41.
6403	1	Biological Assay	The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
6404	1	Inhibition Assay	Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding substrate, successfully detecting fluorescence value at 460 nm for 5 minutes. At the same time, set the blank control group without substrate and solvent control group with DMSO replacing test compound, as well as positive control group of Vildagliptin (LAF-237) and Sitagliptin (MK-0431) [Bioorg. Med. Chem. Lett., 2005, 15, 4770-4773]. All final reaction volumes were 100 &#956;L. Each concentration of each sample consisted of parallel wells in triplate.
6405	1	Fluorescence Polarization Assay	The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation using a fluorescence polarization (FP) methodology that is well known in the art (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphosphate ester bond of a cyclic nucleotide.  In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2.
6406	1	DELFIA Assay	This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detected by means of the phosphorylation of the substrate in a DELFIA assay. The phosphorylated substrate is detected with the Europium-labelled phosphotyrosine antibody PY20 (Perkin Elmer, No.: AD0038). In order to determine concentration-activity curves with PTK2-inhibitors the compounds are serially diluted in 10% DMSO/H2O and 10 L of each dilution are dispensed per well in a 96-well microtitre plate (clear U-shaped base plate, Greiner No. 650101) (the inhibitors are tested in duplicates) and mixed with 10 L/well of PTK2 kinase (0.01 ug/well). PTK2 kinase is diluted accordingly beforehand with kinase dilution buffer (20 mM TRIS/HCl pH 7.5, 0.1 mM EDTA, 0.1 mM EGTA, 0.286 mM sodium orthovanadate, 10% glycerol with the addition of freshly prepared BSA (fraction V 1 mg/mL) and DTT (1 mM)).
6407	1	Kinase Assay	Inhibition of kinase activity by test compound disclosed herein was estimated by quantifying the amount of [33P] incorporation of substrate in the presence of test compound. Standard assay conditions were 2 ng of recombinant C-Raf or 5 ng of recombinant B-Raf or 5 ng of recombinant B-Raf (V600E) kinase (Upstate Biotechnology) with 500 ng MEK1(K97R) in assay buffer {8 &#956;M ATP, 0.5 &#956;Ci [33P]ATP (specific activity 3000 Ci/mmol, PerkinElmer), 50 mM Tris/HCl (pH7.5), and 1 mM EGTA, 1 mM Na3VO4, 1% 2-mercaptoethanol, 0.1% Brij 35, and 0.2 mg/ml BSA} at a final volume of 25 &#956;L. Reactions were incubated at 30° C. for 30 min and stopped by adding 3% phosphoric acid, harvested onto a 96-well GF/B UniFilter (PerkinElmer) using a unifilter harvester (PerkinElmer), and counted with a TopCount microplate scintillation counter (PerkinElmer). The IC50 values of inhibitors were determined after carrying out assays at 3-fold serially diluted concentrations of each compound in duplication.
6408	1	Radioligand Binding Assay	The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000MC). CHO-K1-hCRTH2 cell membranes are again homogenized by passing through a single use needle (Terumo, 23Gx1'') and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well). The SPA assay is set up in 96 well microtiter plates (Perkin Elmer, CatNo. 6005040) in SPA incubation buffer with a final volume of 200 ul per well and final concentration of 50 mM Tris-HCl, 10 mM MgCl2, 150 mM NaCl, 1 mM EDTA pH 7.4, 0.1% bovine serum albumin). The SPA assay mixture contains 60 ul of the membrane suspension, 80 ul of Wheat Germ Agglutinin coated PVT beads (GE Healthcare, RPNQ-0001, 0.3 mg/well), 40 ul of [3H]-PGD2 diluted in SPA buffer to a final concentration of 1 nM (50 000 dpm) and 20 ul of the test compound (dissolved in dimethylsulfoxid).
6409	1	FLIPR Assay	The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx is compared with the control (capsaicin 10 uM). Information is gained therefrom in percentage activation relative to the Ca2+ signal after addition of 10 uM of capsaicin (CP). After incubation for 5 minutes, 100 nM of capsaicin are applied and the influx of Ca2+ is likewise determined.  Desensitizing agonists and antagonists lead to suppression of the Ca2+ influx. The percentage inhibition is calculated in comparison with the maximum inhibition achieved with 10 uM of capsaicin.
6410	1	Kinase Assay	The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in the art. For example, in vitro protein kinase assays may be conducted with a relevant purified protein kinase and an appropriate synthetic substrate to determine the inhibitory activity of the compounds. Assays for inhibition of CK2 by the instant compounds were performed in 384-well plates with reaction mixtures containing 10 uM of peptide substrate (RRRADDSDDDDD-NH2), [gamma-33P]ATP (10 uCi) at 25 uM (CK2A1) or 5 uM (CK2A2), 20 mM Hepes (pH 7.4), 100 mM NaCl, 10 mM MgCl2, 0.25 mM dithiothreitol, Brij-35 at 0.015%, and recombinant CK2A1 (10 nM, Invitrogen) or CK2A2 (5 nM, Upstate Biotechnology). Reaction mixtures were incubated at 30 C. for 1 hour, and reaction products were captured by binding to phosphocellulose (P81) filter plates. Incorporation of radioactive phosphate into the peptide substrate was determined.
6411	1	Biochemical Assay	Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in vitro by determining the level of phosphorylation of the substrate PI(4,5)P2. The formation of product PI(3,4,5)P3 is monitored by binding to the Grip1 PH domain in a ligand displacement fluorescence polarization (FP) assay, in which the TAMRA-labeled PI(3,4,5)P3 complexed with Grip1 PH domain is displaced by PI(3,4,5)P3 formed in the PI3-Kalpha reaction resulting in a decrease in FP signal. Mouse PI3-Kalpha P110 and P85 subunits were co-expressed in insect cells and co-purified to homogeneity. PI(4,5)P2 were obtained from Cayman. TAMRA-labeled PI(3,4,5)P3 were from Echelon, Grip1 PH domain from Dundee and other reagents were from Sigma. All assays were performed in a Corning solid black 96-well half area plate using LJL Analyst (Molecular Devices) at room temperature. The assay buffer contained 50 mM HEPES, pH 7.4, 150 mM NaCl.
6411	2	Biochemical Assay	Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by determining the level of phosphorylation of the protein substrate 4EBP-1. The phosphorylation of GFP-4E-BP1 at tyrosine residue is recognized by Ab Tb-anti-p4E-BP1, which results in time-resolved fluorescence resonance energy transfer (TR-FRET) between GFP and terbium in the Ab--product complex. Recombinant mTOR kinase domain, GFP-4E-BP1, and Lantha Ab Tb-anti-p4E-BP1, and TR-FRET dilution buffer were from Invitrogen. All other reagents were from Sigma. All assays were performed in a Corning white 384-well non-binding surface plate using Safire2 plate reader (TECAN) at room temperature. The assay buffer contained 50 mM HEPES pH 7.5, 0.01% polysorbate, 1 mM EGTA and 10 mM MnCl2. To the assay plate, substrate GFP-4E-BP-1 and mTOR in the assay buffer were mixed first and the reaction was initiated by addition of ATP.
6412	1	Receptor Calcium FLIPR Antagonist Assay	The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
6413	1	Cell-Free Kinase Assays	The inhibitory effect of the compounds according to the invention was tested on various serine/threonine, tyrosine and lipid kinases in enzymatic assays. Recombinant human kinases such as, for example, Erk2, were used in this case, partly as full-length kinases, partly as shortened fragments, but at least consisting of the functional kinase domains. The commercial kinase proteins (Proqinase, Upstate) were used as recombinant fusion proteins with GST (glutathion-S-transferase) or His-Tag. Depending on the type of substrate, the various kinase reactions were quantified by means of suitable ALPHA beads (Perkin-Elmer). MAPK-ALPHAs (e.g. Erk2): the test substance, 0.625 ng Erk2 (#14-173, Upstate), 10 uM ATP and 15 nM biotinylated MBP (myelin basic protein) substrate were incubated on a 384-well Optiplate (Perkin-Elmer) in a volume of 15 ul for 1 h in 25 mM Tris, 10 mM MgCl2, 0.1% Tween-20, 100 uM NaVO4, 2 mM DTT at pH 7.5.
6414	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 uM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 ug/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL).
6414	2	Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 &#956;L. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4210).
6414	3	Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 5 nM Jak1 in a total volume of 20 &#956;L. GST-tagged human Jak1 kinase domain comprising amino acids 866-1154 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4774).
6414	4	Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 1.5 nM Jak3 in a total volume of 20 &#956;L. GST-tagged human Jak3 kinase domain comprising amino acids 781-1124 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV3855).
6414	5	Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 20 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). The histidine tag was cleaved after purification using standard conditions.
6415	1	Lanthascreen Binding Assay	This assay was used to determine a compound&#39;s potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together. Binding of the Alexa Fluor tracer to a kinase was detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET.
6416	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 ng/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.
6417	1	Homogeneous Time-Resolved Fluorescence Assay	A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Cama Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at rt in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 uM final concentration). Final volume of the reaction was 10 uL. Phosphorylation of the peptide was allowed to proceed for 45' at rt. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20.
6418	1	Activation Assay	The functional activity of compounds at the TRPV1 receptor was determined by measurement of intracellular Ca2+ levels ([Ca2]i) using the Fluorescence Imaging Plate Reader (FLIPR)TETRA. All compounds were tested over a 12-point one-third-log concentration range. Compound stocks, 10 mM, were prepared in DMSO, and diluted serially across a 384-well plate using a Bravo BenchCel workstation (Agilent Technologies, Santa Clara, Calif.). A stock concentration of capsaicin (10 mM) was made in DMSO, and diluted in D-PBS to a final concentration of 200 nM (4x). On the day prior to the experiment, recombinant HEK293 cells that stably express either human or rat TRPV1 (hTRPV1-3) were removed from tissue culture flasks and plated in growth medium into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed.
6419	1	Inhibition of Histone Deacetylase Enzymatic Assay	For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-17179 (1990)) is incubated with 30 ug of H446 nuclear extract or an equivalent amount of the cloned recombinant hHDAC-1 for 10 minutes at 37 C. The reaction is stopped by adding acetic acid (0.04 M, final concentration) and HCl (250 mM, final concentration). The mixture is extracted with ethyl acetate and the released [3H]-acetic acid was quantified by scintillation counting. For inhibition studies, the enzyme is preincubated with compounds at 4 C. for 30 minutes prior to initiation of the enzymatic assay. IC50 values for HDAC enzyme inhibitors are determined by performing dose response curves with individual compounds and determining the concentration of inhibitor producing fifty percent of the maximal inhibition. Alternatively, the following protocol is used to assay the compounds of the invention.
6420	1	Inhibition Assay	Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with 20 nM Ulight-JAK1(tyr1023) peptide (Perkin Elmer catalog number TRF0121) in kinase reaction buffer (25 mM MOPS pH6.8, 0.016% Brij-35, 8.33 mM MgCl2, 3.33 mM DTT, 7 uM ATP) with or without 4 uL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 20 uL, in a white 384 Luminotrac 200 plate (Greiner, catalog number 781075). After 60 min at room temperature, reactions were stopped by adding 20 uL/well of detection mixture (1x detection buffer (Perkin Elmer, catalog number CR97-100C), 0.5 nM Europium-anti-phosphotyrosine (PT66) (Perkin Elmer, catalog number AD0068), 10 mM EDTA). Readout is performed using the Envision with excitation at 320 nm and measuring emission at 615 nm (Perkin Elmer). Kinase activity was calculated by subtracting relative fluorescence units (RFU).
6421	1	Competition Binding Assay	The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esbenshade, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 313, 165-175; Esbenshade et al., Biochemical Pharmacology 2004, 68, 933-945; and Krueger, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 314, 271-281). Membranes were prepared from C6 or HEK293 cells, expressing the rat histamine H3 receptor, by homogenization on ice in TE buffer (50 mM Tris-HCl buffer, pH 7.4, containing 5 mM EDTA), 1 mM benzamidine, 2 ug/ml aprotinin, 1 ug/ml leupeptin, and 1 ug/ml pepstatin. The homogenate was centrifuged at 40,000 g for 20 minutes at 4 C. This step was repeated, and the resulting pellet was resuspended in TE buffer. Aliquots were frozen at -70 C. until needed. On the day of assay, membranes were thawed and diluted with TE buffer.
6422	1	Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Trypanosoma brucei RNA editing ligase 1 (TbREL1).	Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Assay Provider: Achim Schnaufer, The University of Edinburgh Network: Molecular Libraries Probe Production Centers Network (MLPCN) Grant Proposal Number: R21 NS06173301 Grant Proposal PI: Achim Schnaufer, The University of Edinburgh External Assay ID: TBREL1_INH_FRET_1536_3XIC50 DRUN Name: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of Trypanosoma brucei RNA editing ligase 1 (TbREL1). Description: The trypanosomatid parasites T. brucei ssp., T. cruzi and Leishmania spp. are the causative agents of human African trypanosomiasis (HAT), Chagas&#39; disease, and leishmaniasis, and economically important diseases in livestock. All trypanosomatids require a unique form of RNA editing for mitochondrial gene expression, and through conditional knockout studies in T. brucei in culture and in mice we ha
6425	1	Lanthascreen Binding Assay	his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together. Binding of the Alexa Fluor tracer to a kinase was detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. Assay conditions and materials used were as follows:Final Assay Conditions:GST-LRRK2 G2019S 10 nMEu-anti-GST-antibody 2 nMKinase tracer 236 8.5 nMKinase reaction time: 1 hourTemperature: ambientTotal volume: 15 ulDMSO 1%Materials:384 well proxiplates F black shallow well Perkin Elmer cat#6008260Kinase: LRRK2 G2019S Invitrogen cat #PV4882(LOT 567054A).
6426	1	Metabotropic Glutamate Receptor Activity Assay	The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, in particular mGluR5 activity, can be demonstrated by methodology known in the art. Human embryonic kidney (HEK) cells transfected with rat or human mGluR5 were plated in clear bottom assay plates for assay in a Functional Drug Screening System (FDSS). The cells were loaded with a Ca2+-sensitive fluorescent dye (e.g., Fluo-4), and the plates were washed and placed in the FDSS instrument. Test compound was applied to cells 3 seconds after baseline readings were taken. Cells were incubated with the test compounds for 140 seconds and then stimulated with an EC20 concentration of an mGluR5 agonist (e.g., glutamate, 3,5-dihydroxyphenylglycine, or quisqualate); 60-80 seconds later an EC80 concentration of agonist was added and readings taken for an additional 40 seconds. Data were collected at 1 Hz. Negative allosteric modulation of the agonist.
6427	1	Inhibition Assay	In a final reaction volume of 25 ul, ROCK-II (h) (5-10 mU) is incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 uM KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (SEQ ID NO:1), 10 mM MgAcetate and [gamma-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 5 ul of a 3% phosphoric acid solution. 10 ul of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
6428	1	Competition Radioligand Binding Assay	Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES 20 mM (pH=7.4), 10 mM MgCl2, 100 mM NaCl, 2 units/ml adenosine deaminase), and unlabelled ligand in a total volume of 0.2 ml for 60 min at 25 C. R-PIA was used to determinate non-specific binding. Filter over Schleicher&Schuell GF/52 filters (pre-soaked 0.5% polyethylenimine) in a Brandel cell harvester. Unbound radioligand was removed with (3x 250 ul) HEPES 20 mM (pH=7.4), 100 mM NaCl and 10 mM MgCl2. Competition assays were carried out by incubation of membranes from hA2a receptors transfected to HeLa cells, [3H]ZM241385 as radioligand, buffer (50 mM Tris-HCl (pH=7.4), 10 mM MgCl2, 1 mM EDTA, 2 units/ml adenosine deaminase), and unlabelled ligand in a total volume of 0.2 ml for 30 min at 25 C. NECA was used to determinate non-specific binding.
6428	2	cAMP Production Assay	hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (10000 cells/well) in 96-well culture plates and incubated at 37 C. in an atmosphere with 5% CO2 in Dulbecco's Modified Eagle's Medium Nutrient Mixture F-12 (DMEM F-12), containing 10% Foetal Calf Serum (FCS) and 1% L-Glutamine. Cells were washed 3x with 200 ul assay medium (DMEM-F12 and 25 mM HEPES pH=7.4) and pre-incubated with assay medium containing 30 uM rolipram and test compounds at 37 C. for 15 min. 1 uM NECA was incubated for 15 min at 37 C. (total incubation time 30 min). Reaction was stopped with lysis buffer supplied in the kit and the enzymeimmunoassay was carried out for detection of intracellular cAMP at 450 nm in an Ultra Evolution detector (Tecan).
6429	1	Radioligand Binding Assay	The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligand binding assay (Sawyer et al., Br. J. Pharmocol 2002, 137, 1163-72). The radioligand binding assay was performed at room temperature in binding buffer (10 mM HEPES/KOH pH 7.4, mM MnCl2, with protease inhibitor cocktail tablets), containing 1.5 nM [3H]PGD2 (Amersham, 156 Cie/mmol), and 10 ug of hCRTH2 HEK293 (EBNA) cell membrane protein in a final volume of 100 ul in 96 well plates (Corning, USA). Non-specific binding was determined in the presence of 1 uM PGD2 (Cayman, USA). Competing pyrazine sulfonamides were diluted in dimethylsulphoxide so that the total volume of dimethylsulfoxide was kept constant at 1% dimethylsulphoxide (Me2SO). 10 ul of the pyrazine sulfonamides were added. Incubation (60 min at room temperature) was terminated by rapid filtration through 96 wells hydrophobic GF/C Unifilter plates.
6430	1	Biological Assay	Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is run as a 10 uL endpoint assay in 384-well format, where the reaction contains 20 uM malonyl-CoA, 2 uM acetyl-CoA, 30 uM NADPH and 40 nM FAS in 50 mM sodium phosphate, pH 7.0. The assay is run by sequentially dispensing 5 ul of a malonyl-CoA solution, then enzyme solution (containing the acetyl-CoA, and NADPH) into a black, low volume assay plate (Greiner 784076) pre-dispensed with 100 nL compound solutions in DMSO. The reaction is incubated at ambient temperature for 60 minutes, then quenched with 5 uL of a developing solution composed of 90 uM resazurin, 0.3 IU/ml diaphorase in 50 mM sodium phosphate, pH 7.0. The developed reaction is read on a Molecular Devices Analyst or Acquest (or equivalent) plate reader using a 530 nm excitation wavelength filter, a 580 nm emission filter, and 561 nm dichroic filter.
6431	1	High Throughput PI3K Lipid Kinase Assay	The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin.To a 384 wells MTP containing 5 ul of the test compound of Formula (I) (solubilized in 6% DMSO; to yield a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.001 uM of the test compound), the following assay components are added.
6432	1	Inhibition Assay	Jurkat cells were placed in a 96 well plate (0.5 million cells per well in 1% FBS medium) then a test compound of this invention was added at different concentrations. After 10 minutes, the cells were activated with PHA (final concentration 2.5 &#956;g/mL) and incubated for 20 hours at 37° C. under CO2. The final volume was 200 &#956;L. Following incubation, the cells were centrifuged and the supernatants collected and stored at &#8722;70° C. prior to assaying for IL-2 production. A commercial ELISA kit (IL-2 Eli-pair, Diaclone Research, Besancon, France) was used to detect production of IL-2, from which dose response curves were obtained.
6433	1	Scintillation Assay	The test compounds (2.5 &#956;L) dissolved in DMSO were added to wells containing 37.5 &#956;L of the reaction solution (25 mM HEPES (pH 7.5), 10 mM magnesium acetate, 1 mM DTT) including 30 ng of active ASK1 protein and 1 &#956;g of myelin basic protein (Wako), and incubated at room temperature for 5 min. To start the reaction, 10 &#956;L of ATP solution (2.5 &#956;M ATP, 0.1 &#956;Ci [&#947;-32P]ATP) was added to wells. After incubating at room temperature for 30 min, the reaction was terminated by adding 50 &#956;L of 20% TCA solution. The reaction solution was incubated at 4° C. for 30 min and an acid-insoluble fraction was transferred onto a GF/C filter (Packard) with Cell Harvester (Packard), and washed with 250 mM phosphoric acid. After drying at 45° C. for 60 min., 40 &#956;L of Microscint 0 (Packard) was added and the radioactivity was measured with TopCount (Packard).
6433	2	Homogeneous Time-Resolved Fluorescence Assay	The inhibitory properties of compounds to ASK1 may be determined using a white 384-well-plate format under the following reaction conditions: 25 nM ASK1, 1 uM CisBio STK S3-biotion peptide, 100 uM ATP, and 1%-2% DMSO in kinase assay buffer of 50 mM HEPES, pH 7.3, 10 mM NaCl, 10 mM MgCl2, 0.01% Brij35, 0.2 mM EDTA, and 1 mM DTT. Reaction product is determined quantitatively by HTRF after the addition of detection reagent SA-XL665 and STK-antibody-cryptate.The assay reaction may be initiated as follows: 2 ul of the mixture of 3 uM CisBio STK S3-biotion peptide and 300 uM ATP with 2 ul of test compound (2 fold serial dilutions for 11 data points for each inhibitor) containing 3%-6% DMSO are added to each well of the plate, followed by the addition of 2 uL of 75 nM ASK1 to initiate the reaction (final enzyme concentration was 25 nM for ASK1). The reaction mixture may then be incubated at room temperature for 1 hour, and quenched and developed.
6434	1	Enzyme Inhibition Assay	The enzyme inhibitory activity (Ki) was determined according to an assay protocol reported by Toth and Marshall (Toth, M. V.; Marshall, G. R. Int. J. Pep. Protein Res. 1990, 36, 544-550).
6435	1	In Vitro Kinase Inhibition Assay	Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, biotinylated Flt3 substrate (biotin &#8722;DNEYFYV) (Cell Signalling Technology Inc.) and ATP. The reaction was allowed to proceed for 3 hours (FGFR3) or 2.5 hrs (PDGFR-beta) at room temperature on a plate shaker at 900 rpm before being stopped with 20 &#956;l of 35 mM EDTA, pH 8 (FGFR3) or 55 mM EDTA, pH 8 (PDGFR-beta). Twenty pl of 5× detection mix (50 mM HEPES pH 7.5, 0.1% BSA, 2 nM Eu-anti-pY (PY20) (PerkinElmer) 15 nM SA-XL665 (Cisbio) for FGFR3 and 50 mM HEPES, pH 7.5, 0.5 M KF, 0.1% BSA, 11.34 nM Eu-anti-pY (PT66) (PerkinElmer), 94 nM SA-XL665 (Cisbio) for PDGFR-beta) was then added to each well and the plate sealed and incubated at room temperature for one hour on a plate shaker at 900 rpm. The plate was then read on a Packard Fusion plate reader in TRF mode. Kinase Assay buffers were:A: 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.
6435	2	In Vitro Kinase Inhibition Assay	VEGFR2 (from Upstate), prepared at 2x final concentration, was incubated with test compounds, biotinylated Flt3 substrate (biotin-VASSDNEYFYVDF) (Cell Signalling Technology Inc.) and ATP in the appropriate assay buffer (Table 1). The reaction was allowed to proceed for 1 hour at room temperature on a plate shaker at 700 rpm before being stopped with 35 mM EDTA, pH 8 (VEGFR2). 5x detection mix (50 mM HEPES, pH 7.5, 0.1% BSA, 11.34 nM Eu-anti-pY (PY20), 187.5 nM SA-XL665) was then added to each well and the plate sealed and incubated at room temperature for one hour on a plate shaker at 700 rpm. The plate was then read on a Packard Fusion plate reader or a BMG Pherastar both in TRF mode. Kinase Assay buffers were: 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.01% TritonX-100, 0.1 mM Sodium orthovanadate.
6437	1	FLIPR Assay	The functional activity of compounds at the TRPV1 receptor was determined by measurement of intracellular Ca2+ levels ([Ca2+]i) using the Fluorescence Imaging Plate Reader (FLIPR)TETRA. All compounds were tested over a 12-point one-third-log concentration range. Compound stocks, 10 mM, were prepared in DMSO, and diluted serially across a 384-well plate using a Bravo BenchCel workstation (Agilent Technologies, Santa Clara, Calif.). A stock concentration of capsaicin (10 mM) was made in DMSO, and diluted in D-PBS to a final concentration of 200 nM (4x). On the day prior to the experiment, recombinant HEK293 cells that stably express human TRPV1 were removed from tissue culture flasks and plated in growth medium into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR Calcium-4 dye.
6438	1	Inhibition Assay	A human VAP-1 enzyme (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspension prepared from CHO (Chinese Hamster Ovary) cells stably expressing a human VAP-1 enzyme (SSAO) was preincubated with the compound of the present invention in a 96-well microplate at room temperature for 30 minutes. Subsequently, the enzyme suspension was incubated with 14C-benzylamine (a final concentration of 1×10&#8722;5 mol/L) to a final volume of 50 mL at 37° C. for 1 hour. The enzymatic reaction was stopped by the addition of 2 mol/L (50 &#956;L) of citric acid. The oxidation products were extracted directly in a 200-&#956;L toluene scintillator, and the radioactivity was measured with a scintillation spectrometer.
6438	2	Inhibition Assay	A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspension prepared from CHO (Chinese Hamster Ovary) cells stably expressing a rat VAP-enzyme 1 (SSAO) was preincubated with the compound of the present invention in a 96-well microplate at room temperature for 30 minutes. Subsequently, the enzyme suspension was incubated with 14C-benzylamine (a final concentration of 1×10&#8722;5 mol/L) to a final volume of 50 mL at 37° C. for 1 hour. The enzymatic reaction was stopped by the addition of 2 mol/L (50 &#956;L) of citric acid. The oxidation products were extracted directly in a 200-&#956;L toluene scintillator, and the radioactivity was measured with a scintillation spectrometer.
6439	1	LabChip Assay	This assay was used to determine a compound&#39;s potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In a polypropylene plate, LRRK2, fluorescently-labeled peptide substrate, ATP and test compound were incubated together. Using a LabChip 3000 (Caliper Life Sciences), after the reaction the substrate was separated by capillary electrophoresis into two populations: phosphorylated and unphosphorylated. The relative amounts of each were quantitated by fluorescence intensity. 
6442	1	Radioligand Binding	HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56 C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4 C., frozen and stored at --80 C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000xg for 30 min at 4 C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA.
6442	2	Radioligand Binding	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37 C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56 C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4 C., frozen and stored at -80 C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000xg for 30 min at 4 C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA.
6443	1	Receptor Binding Assay	Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
6446	1	Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.    Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM.    Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L.    Substrate (20 &#956;M): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).    Z=Benzyloxycarbonyl.    AMC=7-Amino-4-Methyl-Coumarin.    DTT=dithiothreitol.    Final volume: 100 &#956;L.    Excitation 360 nm, Emission 465 nm.Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
6450	1	Kinase Assay	The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#33-016), which is a homogeneous assay to measure the accumulation of ADP, a universal product of kinase activity. The enzyme, PI3K (p110alpha /p85alpha was purchased from Carna Biosciences (#07CBS-0402A). The assay was done following the manufacturer recommendations with slight modifications: Mainly the kinase buffer was replace by 50 mM HEPES, pH 7.5, 3 mM MgCl2, 100 mM NaCl, 1 mM EGTA, 0.04% CHAPS, 2 mM TCEP and 0.01 mg/ml BGG. The PI3K was assayed in a titration experiment to determine the optimal protein concentration for the inhibition assay. To calculate the IC50 of the ETP-compounds, serial 1:5 dilutions of the compounds were added to the enzyme at a fixed concentration (2.5 ug/mL. The enzyme was preincubated with the inhibitor and 30 uM PIP2 substrate (P9763, Sigma) for 5 min and then ATP was added to a final 50 uM concentration.
6452	1	Enzyme Inhibitory Assay	The activity of the compounds according to the present invention to inhibit the PARP-1 enzyme was examined using a PARP Assay kit (4671-096-K) purchased from Trevigen. The assay was performed following a modified previously reported method by Lee et al [Methods Find, Exp. Clin. Pharmacol., 27, 617-622, 2005].Histone was coated on 384-well plate, which is a small volume PS plate (784101) of Greiner Bio-One, and left at 25 C. for 2 hours. After that, the plate was rinsed four times with PBS (7.5 mM Na2HPO4, 2.5 mM NaH2PO4, 145 mM NaCl, pH 7.4), and in order to prevent non-specific reaction, the Strep-diluent (provided from kit of Trevigen) was added and left at 25 C. for one hour. After one hour, the plate was again rinsed with PBS four times, and the compounds of the Examples in various concentrations were put into reactant containing PARP-1 enzyme (0.12 unit/well), 2x PARP cocktail.
6453	1	Fluorescent-Peptide Cleavage Assay	BACE2 enzyme ectodomain (derived from plasmid pET17b-T7-hu proBACE2) was prepared as described in Ostermann et al., Crystal Structure of Human BACE2 in Complex with a Hydroxyethylamine Transition-state Inhibitor, Journal of Molecular Biology 2006, 355, 249-261. The pro-enzyme was stored at 4 C. at a concentration of 70 ug/ml.A fluorescent peptide with the amino acid sequence WS EVNLD AEFRC-MR121 was synthesised and a stock solution of 1.5 mM in DMSO prepared and stored at -20 C. MR121 is a fluorophore with an excitation wavelength of 630 nm and emission wavelength of 695 nm. The MR121 fluorescence is quenched by the N-terminal tryptophan until the peptide is cleaved by BACE2.Assays were all made in a Corning 384-well black polystyrene non-binding surface microtitre plate with clear flat bottom and using a Plate:Vision (Perkin Elmer) fluorescence reader. To perform the assay an 80 nM solution of BACE2 was prepared in assay buffer.
6454	1	Alpha Screen Assay	AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology. AKT1 activation was achieved by the addition of the activating kinases PDK1 and MAPKAPK2, lipid vesicles, and ATP. The extent of peptide phosphorylation was determined using a phospho-AKT substrate antibody and acceptor beads conjugated to Protein A and donor beads conjugated to streptavidin that bind to the biotin on the peptide. Excitation of the donor beads converted ambient oxygen to excited singlet oxygen which, when in close proximity to acceptor beads, reacted with acceptor beads resulting in signal amplification.
6456	1	Tyrosine Kinase Assay	The assays were performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM Beta-Glycerolphosphate, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of JAK2 with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 45 ul of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays is ATP, 30 uM; JAK2 fluorescent peptide, 1.5 uM; JAK2, 1 nM; and DMSO, 1.6%.
6458	1	Inhibition Assay	In a final reaction volume of 25 &#956;L, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and [&#947;-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
6458	2	Inhibition Assay	In a final reaction volume of 25 uL, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 [uM KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and gamma-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 uL of a 3% phosphoric acid solution. 10 uL of the reaction was then spotted onto a P30 filter-mat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
6459	1	Nuclear Magnetic Resonance (NMR) Assay	Compounds were prepared in 100% DMSO from 10 to 0.156 mM and/or from 5 to 0.078 mM. The P6 substrate concentrations were 5, 65, and 150 µM for KSHV, EBV and HCMV proteases, respectively. The final enzyme concentration was 1 µM in assay buffer, containing 25 mM potassium phosphate (pH 8.0), 150 mM KCl, 0.1 mM EDTA and 1 mM dithiothreitol, with a final DMSO concentration of 2%.
6460	1	Archibald assay	Briefly, 0.5-50 mM L-arginine (pH 8.5) was added to a solution of 50 mM 4-(2-hydroxyethyl)piperazine-1-propanesulfonic acid (EPPS) (pH 8.5) and 100 &#956;M MnCl2. The reaction (200 &#956;L) was initiated by adding 1 &#956;M SmARG at 21°C and terminated after 1 min using 30 &#956;L of a 3:1 (v/v) concentrated acid/dye solution.
6460	2	ITC	SmARG was dialyzed against 50 mM bicine (pH 8.5), 100 &#956;M MnCl2, and 1.0 mM TCEP [5% (v/v) DMSO was included in the dialysis buffer when SmARG was titrated with ABH-PE and ABH-DP]. The inhibitor (ABH, 0.547 mM; NOHA, 1.097 mM; nor-NOHA, 0.443 mM; ABH-PE, 0.410 mM; ABH-DP, 0.436 mM) was dissolved in dialysis buffer.
6461	1	Spectral Binding Assay	The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minutes in room temperature after each addition of increasing amounts of inhibitors to 5-6 &#956;M protein.
6462	1	Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
6463	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM.Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L.Substrate (20 &#956;M): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).Z=Benzyloxycarbonyl.AMC=7-Amino-4-Methyl-Coumarin.DTT=dithiothreitol.Final volume: 100 &#956;L.Excitation 360 nm, Emission 465 nm.Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
6464	1	Receptor Binding Assay	The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists, Molecular Pharmacology 68(4):1039-1048 (2005). This radioligand binding assay used [3H]-SCH23390, a radiolabeled D1 ligand, to evaluate the ability of a test compound to compete with the radioligand when binding to a D1 receptor. D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium condition.
6465	1	Inhibition Assay	The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 200 uM to 1.6 uM are prepared (resulting final concentrations in the assay: 4 uM to 0.032 uM). 2 uL portions of the diluted substance solutions are introduced into the wells of microtiter plates (Isoplate; Wallac Inc., Atlanta, Ga.). Then 50 uL of a dilution of the PDE9A preparation described above are added. The dilution of the PDE9A preparation is chosen so that less than 70% of the substrate is converted during the subsequent incubation (typical dilution: 1:10000; dilution buffer: 50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H] guanosine 3'-cyclic phosphate (1 uL; Amersham Pharmacia Biotech., Piscataway, N.J.) is diluted 1:2000 with assay buffer (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA) to a concentration of 0.0005 uL.
6466	1	Binding Assay	THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations of either unlabeled MCP-1 (R & D Systems, Minneapolis, Minn.) or test compound for 2 hours at 30° C. in a 96 well plate. Cells were then harvested onto a filter plate, dried, and 20 &#956;L of Microscint 20 was added to each well. Plates were counted in a TopCount NXT, Microplate Scintillation & Luminescence Counter (Perkin-Elmer Life Sciences, Inc. Boston, Mass.). Blank values (buffer only) were subtracted from all values and drug treated values were compared to vehicle treated values. 1 &#956;M cold MCP-1 was used for nonspecific binding.
11791	3	Surface Plasmon Resonance (SPR) assay  from OICR	We used a more sensitive Surface Plasmon Resonance (SPR) assay to quantitate the direct binding affinity of ligands to purified BCL6-BTB dimer.  Data are added after the paper was published.
6469	1	Enzyme Assay	An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HTMS) as a means of product detection. This assay served as a primary screen to evaluate the ability to inhibit KHK enzyme activity and it has been adapted to high throughput mass spectrometry (HTMS, BioTrove RapidFire) format for higher throughput.The compounds to be tested were dosed in 12-points concentration from 511 uM to 0.5 uM. Inhibition of the fragment, IC50, was determined in a dose-response curve under the established steady-state conditions of 200 uM fructose, 100 uM ATP and 2 nM KHK for 60 min at 25 C. The assay was carried out in 384-well plate format.
6470	1	Scintillation Proximity Assay	Compounds are assessed for the ability to bind to FLAP in a binding assay that measures compound-specific displacement of an iodinated (125I) FLAP inhibitor via a Scintillation Proximity Assay format (adapted from S. Charleson et al., Mol. Pharmacol., 1992, 41, 873-879).Cell pellets produced from sf9 insect cells expressing recombinant human FLAP protein are resuspended in buffer A [15 mM Tris-HCl (pH 7.5), 2 mM MgCl2, 0.3 mM EDTA, 1 mM PMSF]. The cells are lysed with a Dounce homogenizer and the material is centrifuged at 10,000xg for 10 minutes. The supernatant is then collected and centrifuged at 100,000xg for 60 minutes. To prepare membrane protein for an assay, an aliquot of the 100,000xg pellet is resuspended in 1 ml of buffer A, Dounce homogenized, and finally subjected to polytron mixing (30 seconds). Membrane protein (25 ul, 5 ug) is mixed with WGA SPA beads (Amersham) and stirred for 1 h. To an assay plate (Perkin Elmer FlexiPlate) is added 25 ul of test compound.
6472	1	Enzyme Inhibition Assay	The FGFR1-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR1 enzyme (Carna Biosciences, cat. 08-133). Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
6472	2	Enzyme Inhibition Assay	The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
6472	3	Enzyme Inhibition Assay	The FGFR3-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR3 enzyme (Calm Biosciences, cat. 08-135). Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
6473	1	In Vitro Kinase Activity Assay	Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted with Kinase Buffer (50 mM HEPES, pH 7.5, 1 mM EGTA, 10 mM MgCl2, 0.01% Tween-20, and 2 mM DTT, added fresh) to 4x the final concentration. The final curve included 11 concentrations (10-11 to 10-5 M) plus negative control DMSO tested in triplicate.Kinase and ATP concentrations necessary for optimal activity were determined in separate experiments. (Table 2). Briefly, increasing concentrations of kinase were incubated in a fixed concentration of ATP (200 uM) in Kinase Buffer to determine maximal activity at various time points (30-120 min). The concentration of kinase that resulted in maximal activity with the shortest incubation time was then incubated in Kinase Buffer with increasing concentrations of ATP.
6474	1	Binding Assay	Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 &#956;M, with cAMP (1x10-5M), and with a low amount (0.021 MBq) of radioactively labelled cAMP. At the end of the incubation, the cleavage of the substrate was evaluated by the binding of the AMP product to SPA beads, which generate chemo luminescence when bound to the radioactive tracer. The AMP product inhibited the binding of the radioactive tracer to the beads, and the luminescent signal was competed.
6475	1	Lance cAMP Assay	Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for their ability to prevent 5-HT6 receptor activation by serotonin. HEK 293 cells (cells of human embryo&#39;s kidney) with artificially expressed 5-HT6 receptor, activation of which by serotonin leads to increasing the concentration of intracellular cAMP were used. The content of intracellular cAMP was determined using reagent kit LANCE cAMP (PerkinElmer) according to the method described by the manufacturer of the kit [http://las.perkinelmer.com/content/Manuals/MAN_LANCEcAMP384KitUser.pdf]. Effectiveness of compounds was estimated by their ability to reduce the content of intracellular cAMP induced by serotonin.
6477	1	Inhibition Assay	To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GBq/mmol) at a concentration of 33.3 nmol/L, 50 uL of a solution of the compound to be evaluated (formed by dissolving the compound in DMSO and diluting it with distilled water to DMSO concentration of 5%) and 50 uL of the PDE9 protein solution as prepared in the above, as diluted with buffer C (40 mmol/L Tris-HCl, pH7.5, 15 mmol/L benzamidine, 15 mmol/L 2-mercaptoethanol, 1 ug/mL Pepstatin A, 1 ug/mL Leupeptin) by 1,500x, were added under cooling with ice. This mixed solution was incubated at 30 C. for 30 minutes and the enzymatic reaction of PDE9 was terminated by heating the system in boiling water for 90 seconds. Returning the system to room temperature, 50 uL of Snake venom (SIGMA: 1 mg/mL) was added, followed by 10 minutes' incubation at 30 C.
6477	2	Inhibition Assay	By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhibition was calculated and IC50 value against PDE5 was determined. To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GBq/mmol) at a concentration of 33.3 nmol/L, 50 uL of a solution of the compound to be evaluated (formed by dissolving the compound in DMSO and diluting it with distilled water to DMSO concentration of 5%) and 50 uL of the PDE9 protein solution as prepared in the above, as diluted with buffer C (40 mmol/L Tris-HCl, pH7.5, 15 mmol/L benzamidine, 15 mmol/L 2-mercaptoethanol, 1 ug/mL Pepstatin A, 1 ug/mL Leupeptin) by 1,500x, were added under cooling with ice. This mixed solution was incubated at 30 C. for 30 minutes and the enzymatic reaction of PDE9 was terminated by heating the system in boiling water.
6478	1	In Vitro Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4.
6479	1	In Vitro Biological Assay	50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full length human Sirtuin 1 expressed in E. coli, BioMol. Cat. #SE-239) and 500 uM NAD+ in the assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 supplemented with 1 mg/ml BSA for dilution, BioMol. Cat. #KI-143) and 1% final concentration of DMSO were incubated in the presence of gradient concentrations of test compounds (10-dose with 3-fold serial dilution) at 30 C. for 2 h. The reactions were carried out in a 96-well microplate for fluorometry in a 50 ul reaction volume. After the deacetylation reaction, Fluor-de-Lys-Developer II (BioMol. Cat. #KI-176) was added to each well to digest the deacetylated substrate, thus producing the fluorescent signal. The reaction was allowed to develop for 45 minutes at 30 C. with 5% CO2; then the fluorescent signal was measured with an excitation wavelength at 360 nm.
6480	1	Spectrophotometric 384 Well Assay	Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction.For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.All compounds are dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM.Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/mL BSA, 3.75 mM reduced L-glutathione, 15 U/mL lactate dehydrogenase, 0.5 mM phosphoenolpyruvate.
6481	1	Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination. Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. 
6482	1	Amplified Luminescent Proximity Assay	Trk A kinase activity was measured for its ability to phosphorylate synthetic tyrosine residues within a generic polypeptide substrate using an Amplified Luminescent Proximity Assay (Alphascreen) technology (PerkinElmer, 549 Albany Street, Boston, Mass.).  To measure Trk A kinase activity, the intracellular domain of a HIS-tagged human Trk A kinase (amino acids 442-796 of Trk A, Swiss-Prot Primary Accession Number P04629) was expressed in SF9 cells and purified using standard nickel column chromatography. After incubation of the kinase with a biotinylated substrate and adenosine triphosphate (ATP) for 20 minutes at room temperature, the kinase reaction was stopped by the addition of 30 mM ethylenediaminetetraacetic acid (EDTA). The reaction was performed in 384 well microtitre plates and the reaction products were detected with the addition of strepavidin coated Donor Beads and phosphotyrosine-specific antibodies coated Acceptor Beads using the EnVision Multilabel Plate Reader.
6483	1	Depletion Assay	The activity of PIM1 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 &#956;l per well. To start the reaction, 10 &#956;l of 5 nM Pim1 kinase and 80 &#956;M BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, and 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 &#956;l of 40 &#956;M ATP in assay buffer is added. Final assay concentrations are 2.5 nM PIM1, 20 &#956;M ATP, 40 &#956;M BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped with the addition of 20 &#956;l KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6483	2	Depletion Assay	The activity of PIM2 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 piper well. To start the reaction, 10 &#956;l of 10 nM Pim2 kinase and 20 &#956;M BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, and 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 &#956;l of 8 &#956;M ATP in assay buffer is added. Final assay concentrations are 5 nM PIM2, 4 &#956;M ATP, 10 &#956;M BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped with the addition of 20 &#956;l KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6483	3	Depletion Assay	The activity of PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed into white 384-well plates at 0.5 piper well. To start the reaction, 10 &#956;l of 10 nM Pim3 kinase and 200 &#956;M BAD peptide (RSRHSSYPAGT-OH) in assay buffer (50 mM HEPES pH 7.5, 5 mM MgCl2, and 1 mM DTT, 0.05% BSA) is added into each well. After 15 minutes, 10 &#956;l of 80 &#956;M ATP in assay buffer is added. Final assay concentrations are 5 nM PIM1, 40 &#956;M ATP, 100 &#956;M BAD peptide and 2.5% DMSO. The reaction is performed until approximately 50% of the ATP is depleted, then stopped by the addition of 20 &#956;l KinaseGlo Plus (Promega Corporation) solution. The stopped reaction is incubated for 10 minutes and the remaining ATP detected via luminescence on the Victor2 (Perkin Elmer).
6484	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 M [ -33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 M target peptide (ASELPASQPQPFSAKKK).Assays were carried out at 25 ° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 L of the stock solution was placed in a 96 well plate followed by addition of 2 L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25 ° C. and the reaction initiated by addition of 15 L [ -33P]ATP.
6485	1	Inhibition Assay	Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyvinyl alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37° C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction. The plate is read by an ELISA reader with an absorbance at 620 nm.
6486	1	Inhibition Assay	Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known (see., e.g., National Committee for Clinical Laboratory Standards 2000 Performance standards for antimicrobial disk susceptibility tests: approved standard, 7th ed. M2-A7, vol. 20, no. 1, Committee for Clinical Laboratory Standards, Wayne, Pa.).
6489	1	LANCE Ultra TR-FRET Assay	The ability of compounds of Formula I to inhibit cFMS was determined by the following assay. cFMS enzymatic activity was measured using the LANCE Ultra TR-FRET assay technology from PerkinElmer (Waltham, Mass.). Incubation mixtures contained the following: 50 mM NaHEPES, pH 7.3, 10 mM MgCl2, 0.5 mM MnCl2, 0.01% Triton X-100, 1 mM DTT, 1% DMSO, 10 uM ATP, 25 nM LANCE Ultra ULight-poly GAT and 0.5 nM cFMS in a total volume of 10 uL. The concentration of compounds of Formula I was varied over 10-point, 3-fold dilution series with 10,000 nM typically being the highest dose. Incubations were carried out in white ProxyPlate-384 Plus plates (PerkinElmer) at 22 C. for 20 minutes, after which 10 uL of a quench/detection solution was added containing 1x LANCE Detection Buffer, 2 nM LANCE EuW1024 Anti-phosphotyrosine (PY20) and 36 mM EDTA. After an additional 60 minutes incubation at 22 C., the assay plate was read on an EnVision 2103 Multilabel Reader (PerkinElmer).
6490	1	Inhibition Assay	The biological activity of the compounds of general formula (I) towards the cholinesterase inhibition was evaluated using Ellman's method (Ellman, G. L.; Courtney, K. D.; Anders, B.; Featherstone, R. M. Biochem. Pharmacol. 1961, 7, 88-95).This method of evaluation of the cholinesterase inhibitors activity is based on the fact that acetyl/butyrylcholinesterase interacts with the inhibitor, which prevents the acetyl/butyrylcholine hydrolysis. The inhibitor causes the enzyme activity drop which is dependent on the inhibitor concentration. The enzyme unbound with the inhibitor is able to hydrolyze acetyl/butyrylthiocholine (ASCh/BSCh). The amount of the hydrolyzed ASCh/BSCh is measured indirectly, by quantification of the product of its reaction with DTNB (5,5 -dithio-bis-2-nitrobenzoic acid). Ellman's method relies therefore on the spectrophotometric quantification of product of the reaction between acylthiocholine and DTNB.
6491	1	ADP-Glo Kinase Assay	Some compounds of formula (I) described herein were assayed in vitro for their ability to inhibit the lipid kinase activity of PI3Ks, by using a non-radioactive method.In details, His and GST-tagged recombinant proteins (purchased from JenaBioscience Germany; PI3Kalpha #PR-335, PI3Kbeta #PR-344, PI3Kgamma #PR-343, PI3Kdelta #PR-345) for each isoform PI3Kalpha , beta , gamma and delta, were incubated with 10 uM of ATP, with lipid micells containg the appropriate substrate phosphatidylinositol and the phosphatidilserine, and different concentrations of the formula (I) compounds.After 30 minutes of incubation at room temperature, the amount of ADP produced from ATP following the activation of kinase was measured with a luminescent kinase assay, ADP-Glo Kinase Assay (purchased from Promega USA #V9101).The luminescent signal positively correlates with the formed ADP and, therefore, with the kinase activity.
6492	1	Enzyme Assay	Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the substrate.Cytochrome P450,17-alpha -Hydroxylase, 17-20 lyase (CYP17) is a multi functional enzyme that plays a key role in the biosynthesis of steroid hormones. It catalyses both conventional hydroxylation and also the carbon-carbon bond cleavage reactions (Peter Lee-Robichaud et al, Biochem. J, (1997) 321, 857-63). In the hydroxylation reaction, it converts progesterone and pregnenolone to the corresponding hydroxylated products 17-alpha -hydroxy progesterone and 17-alpha -hydroxy pregnenolone. In the lyase reaction, it catalyzes the conversion of these hydroxylated substrates to Androstenedione and Dehydroepiandrosterone (DHEA) respectively. In the Cyp17 lyase assay described here, the conversion of 17-alpha -hydroxy pregnenolone to Dehydroepiandrosterone and acetic acid is being monitored.
6493	1	In Vitro Assay	The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 protein complexes. The protein substrate used in the assay is the retinoblastoma protein (Rb). The kinase reactions are carried out in a 96-well filter plate (MSDV N6B50, Millipore). Compounds are serially diluted in kinase buffer (20 mM Tris-HCl, pH 7.4, 50 mM NaCl, 1 mM DTT, 1 mg/ml BSA) and added to the reaction mixture containing 2.5 ng/ml Cdk4/CyclinD1 or Cdk6/CyclinD3, 25 &#956;M ATP, 10 &#956;Ci/ml [33P]-ATP, 0.1 &#956;g/ml Rb in the kinase buffer. The mixture is incubated at room temperature for 1 hour and the proteins precipitated with an equal volume of 20% TCA. The plates are washed with 10% TCA according to the manufacturer&#39;s instruction and dried at room temperature. The amount of the phosphorylated Rb is determined with a TopCount (PerkinElmer).
6494	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 uM [gamma-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 uM target peptide (ASELPASQPQPFSAKKK).Assays were carried out at 25 C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 uL of the stock solution was placed in a 96 well plate followed by addition of 2 uL of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 uM with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25 C.
6495	1	Inhibition Assay	The stable cell line expressing human SGLT1 was seeded at 5x104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton Dickinson and Company) and cultured at 37 C. under 5% CO2 overnight. The medium was replaced with 100 uL/well of a Na (+) buffer (140 mM choline chloride, 2 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 5 mM Tris, pH7.4) followed by incubation for 20 minutes at 37 C. under 5% CO2. After removing the Na (+) buffer, a test compound solution which was prepared from Na (+) buffer (140 mM NaCl, 2 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 5 mM Tris, pH7.4) containing BSA was added thereto at 40 uL/well. In addition, Na (+) buffer containing 8 kBq of 14C-AMG and 2 mM AMG was added thereto at 40 uL/well, and was mixed well. Na (+) buffer containing BSA was added to a blank well at 40 uL/well and additionally adding a Na (+) buffer containing 8 kBq of 14C-AMG and 2 mM AMG, and was mixed well.
6496	1	Radioligand Binding Assay	Radioligand Binding Assays Using Recombinant CHO Cell Membranes Expressing Human GlyT1:Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
6499	1	Fluorescence Based Assay	Compound inhibitory activity of FabI enzyme is measured in vitro by the IC5 so determination using a fluorescence based assay.The protein FabI from S. aureus is prepared and purified using standard methods for recombinant protein expression after cloning of the gene in a prokaryotic expression vector.The biochemical activity of the FabI enzyme is assessed using the following method.The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM NaCl.The following components are added in a white polystyrene Costar plate (Ref 3912) up to a final volume of 55.5 uL: 1.5 uL DMSO or inhibitor dissolved in DMSO and 54 uL of a FabI/NADPH/NADP+ mixture in AB. After 60 min of pre-incubation at room temperature, the reaction is started by addition of 5 uL of trans-2-octenoyl N-acetylcysteamine thioester (t-o-NAC) to a final volume of 60.5 uL.
6502	1	Enzyme Assay	This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detected by means of the phosphorylation of the substrate in a DELFIA assay. The phosphorylated substrate is detected with the europium-labelled phosphotyrosine antibody PY20 (Perkin Elmer, No.: AD0038).In order to determine concentration-activity curves with PTK2-inhibitors the compounds are serially diluted in 10% DMSO/H2O and 10 uL of each dilution are dispensed per well in a 96-well microtitre plate (clear U-shaped base plate, Greiner No. 650101) (the inhibitors are tested in duplicates) and mixed with 10 uL/well of PTK2 kinase (0.01 ug/well). PTK2 kinase is diluted accordingly beforehand with kinase dilution buffer (20 mM TRIS/HCl pH 7.5, 0.1 mM EDTA, 0.1 mM EGTA, 0.286 mM sodium orthovanadate, 10% glycerol with the addition of freshly prepared BSA (fraction V 1 mg/mL) and DTT (1 mM)).
6503	1	Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 uM), ATP (20 uM), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT in 1.6% DMSO), with a final volume of 30 uL. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 ul of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
6504	1	Inhibitory Assay	The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor et al., Acta. Biol. Hung. 42: 285-95, 1991). That is, recombinant human chymase was diluted to an appropriate concentration by a 50 mM tris-hydrochloride buffer (pH 7.5), 1M sodium chloride solution, and 0.01% (v/v) Triton X-100 to obtain an enzyme solution. A 10 mM dimethyl sulfoxide (hereinafter referred to as DMSO) solution of Suc-Ala-Ala-Pro-Phe-MCA (Peptide Institute) was diluted 20-fold at the time of use by 50 mM tris-hydrochloride buffer (pH 7.5), 1M sodium chloride solution and 0.01% (v/v) Triton X-100 to obtain the substrate solution. 75 ul of the enzyme solution was mixed with 5 ul of the test compound in a DMSO solution, and incubated for 10 minutes. Then 20 ul of the substrate solution was added to the mixture and reacted for a further 10 minutes at room temperature.
6505	1	Kinase Assay	The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhibitory activity. His6-tagged recombinant human cyclin-dependent kinases CDK1/cyclin B1, CDK2/cyclin E, CDK4 and CDK7/cyclin H were expressed in sf9 cells using a baculovirus expression system. Recombinant cyclin D1 was expressed in E. coli. Proteins were purified by metal chelate affinity chromatography to greater than 90% homogeneity. Kinase assays were performed in 96-well plates using recombinant CDK/cyclins, recombinant active ERK-2 (Upstate Biotechnology), or cyclic AMP-dependent kinase (PKA) catalytic subunit (Calbiochem Cat. 539487). Assays were performed in assay buffer (25 mM beta -glycerophosphate, 20 mM MOPS, 5 mM EGTA, 1 mM DTT, 1 mM Na3VO3, pH 7.4), into which were added 2-4 ug of active enzyme with appropriate substrates (purified histone H1 for CDK2, recombinant GST-retinoblastoma protein (residues 773-928) for CDK4.
6506	1	Spectrophotometric Enzyme Assay	Compounds were evaluated in spectrophotometric enzyme assays using ChDHFR-TS and hDHFR. Inhibition constants (IC50) were measured (see Table 4). The lead compound, X, has an inhibition constant of 38 nM and modest selectivity (8-fold). All of the biphenyl compounds are more potent than the initial lead compound X and exhibit greater selectivity for the pathogenic enzyme. The most potent racemic compound, D(rac), a 5&#8242;-biphenyl derivative, is also the most selective of the racemic compounds (944-fold). The single R enantiomer of this 5&#8242;-biphenyl analog is the most potent (1.1 nM) and most selective (1273-fold) of all known compounds tested against the Cryptosporidium DHFR enzyme.
6506	2	Enzyme Inhibition Assay	Heterocyclic analogs of propargyl-linked inhibitors of the third generation analogs were evaluated in enzyme inhibition assays, assessed for S. aureus and S. pyogenes inhibition, and evaluated for mammalian cell toxicity.
6510	1	FRET Assay	Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with residues 17 to 125 (containing p53 binding surface, Science (1994) 265, 346-355), with N-terminal His and Thioredoxin tag was generated in pET32a expression vector and expressed in E. coli strain BL21(DE3)Rosetta. Protein was purified using Ni-affinity chromatography, followed by size exclusion chromatography using Superdex 75 26/60 column. To assess inhibition of p53 binding to HDM2, a FITC labeled 8-mer peptide (SEQ ID NO:1: Ac-Phe-Arg-Dpr-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2; Anal Biochem. 2004 Aug. 1; 331(1):138-46) with strong affinity towards the p53 binding pocket of HDM2 was used. The HDM2 assay buffer contained 1x Phosphate Buffered Saline (Invitrogen, Cat#14190), 0.01% BSA (Jackson ImmunoResearch, Cat#001-000-162), 0.01% Tween-20.
6512	1	Enzymatic Assay	The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum albumin, 0.063 uCi of [3H]-cAMP (corresponding to a cAMP concentration of between 15 and 25 nM), 10 uM of rolipram and PDE7 in a final volume of 100 ul. The assay is carried out in the absence (control sample) or in the presence (treated sample) of the compounds tested as PDE7 inhibitors. The final concentration of DMSO in the assay is 2%. The reaction is initiated by addition of enzyme and the samples are maintained at ambient temperature for 30 minutes. The enzymatic dilution is adjusted so as to obtain a degree of conversion of 10 to 15%. The enzymatic reaction is halted by immersion of the stoppered Eppendorf tubes in a water bath at 100C. for 3 minutes. Blanks (reaction halted immediately after addition of the enzyme) are included in each experiment.
6512	2	Enzymatic Assay	By using for PDE8 an enzymatic assay equivalent to that described for PDE7.  PDE7 Enzymatic Assay:  The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum albumin, 0.063 uCi of [3H]-cAMP (corresponding to a cAMP concentration of between 15 and 25 nM), 10 uM of rolipram and PDE7 in a final volume of 100 ul. The assay is carried out in the absence (control sample) or in the presence (treated sample) of the compounds tested as PDE7 inhibitors. The final concentration of DMSO in the assay is 2%. The reaction is initiated by addition of enzyme and the samples are maintained at ambient temperature for 30 minutes. The enzymatic dilution is adjusted so as to obtain a degree of conversion of 10 to 15%. The enzymatic reaction is halted by immersion of the stoppered Eppendorf tubes in a water bath at 100C. for 3 minutes.
6513	1	Florescence Polarization Assay	The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation using a fluorescence polarization (FP) methodology well known in the art (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the Examples had activity in reference assays by exhibiting their ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) below 1 uM would be considered a PDE10 inhibitor as defined herein.In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence.
6514	1	Competitive Inhibition Assay	A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, or hMC5-R, and from B-16 mouse melanoma cells (containing endogenous MC1-R). In some instances, HEK-293 cells that express recombinant hMC1-R were employed. In the examples that follow, all MC3-R, MC4-R and MC5-R values are for human recombinant receptors. MC1-R values are for B-16 mouse melanoma cells, unless the heading is hMC1-R, in which case the value is for human recombinant MC1-R. Assays were performed in 96 well GF/B Millipore multiscreen filtration plates (MAFB NOB10) pre-coated with 0.5% bovine serum albumin (Fraction V). Membrane homogenates were incubated with 0.2 nM (for hMC4-R) 0.4 nM (for MC3-R and MC5-R) or 0.1 nM (for mouse B16 MC1-R or hMC1-R) [I125]-NDP-alpha -MSH (Perkin Elmer) and increasing concentrations of test peptides of the present invention in buffer containing 25 mM HEPES buffer (pH 7.5) with 100 mM NaCl.
6515	1	Binding Inhibition Assay	A solution of the compound to be tested and 100 &#956;M 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 &#956;l/well, suspended in an incubation buffer, and a membrane from HEK293 cells for forced expressions of a human 5-HT5A receptor prepared at 200 ug/ml was added at 100 &#956;l/well. After incubation at room temperature for 15 minutes, a [3H]5-CT solution (2 nM [3H]5-CT, incubation buffer) was added thereto at 100 &#956;l/well.Separately, 100 &#956;l of the solution was distributed into a liquid scintillation vial, and 2 ml of Aquasol II (registered trademark) was added thereto, followed by stirring. Then, radioactivity was measured by a liquid scintillation counter. It was incubated at 37C. for 60 minutes. The reaction mixture was sucked into 96-well GF/C filter plate that had been pre-treated with 0.2% polyethyleneimine, and washed six times with an ice-cooled, 50 mM Tris (pH 7.5) buffer. The GF/C filter plate was dried.
6516	1	Kinase Assay	Inhibition of PDGFR-beta kinase activity by compounds disclosed herein was quantified by measuring the amount of [33P] incorporated into the substrate in the presence of a test compound. Briefly, a reaction mixture of 25 uL final volume containing 55 ng of PDGFR-beta kinase (obtained by purifying recombinant N-terminal 6xHis-tagged PDGFR-beta kinase domain construct expressed by baculovirus), 2.5 ug of the substrate [Poly (Glu-Tyr, 4:1), Sigma], kinase reaction buffer (20 mM MOPS pH 7.0, 1 mM EDTA, 5% glycerol, 0.01% Brij-35, 0.1% beta-mercaptoethanol, 1 mg/mL BSA, 2 mM MnCl2, 30 nM ATP, 0.1 uCi per well [33P]-gamma-ATP (2,500-3,000 Ci/mmol)), and a test compound (diluted from 9 uM to the desired final concentration by 4% DMSO) or DMSO (as the control) was incubated at 30C. for 30 minutes. The reaction was stopped by adding 5 uL of 3% phosphoric acid solution. The resultant solution (30 uL) was later harvested by a UniFilter Plate GF/B (PerkinElmer).
6516	2	Kinase Assay	Inhibition of C-kit kinase activity by compounds disclosed herein was quantified by measuring the amount of [33P] incorporated into the substrate in the presence of a test compound. Briefly, a reaction mixture of 25 uL final volume containing 5 ng of C-kit kinase (obtained by purifying recombinant N-terminal 6xHis-tagged C-kit kinase domain construct expressed from baculovirus), 5 ug of the substrate [Poly (Glu-Tyr, 4:10, Sigma], kinase reaction buffer (8 mM MOPS/NaOH pH7.0, 0.2 mM EDTA, 10 mM MnCl2, 0.5% glycerol, 0.001% Brij-35, 0.01%, 2-mercaptoethanol, 0.1 mg/ml BSA, 100 uM ATP, 0.1 uCi per well [33P]-gamma-ATP (2,500-3,000 Ci/mmol)), and a test compound (diluted from 9 uM to the desired final concentration by 4% DMSO) or DMSO (as the control) was incubated at 30C. for 30 minutes. The reaction was stopped by adding 5 uL of 3% phosphoric acid solution. The resultant solution (30 uL) was later harvested by a UniFilter Plate GF/B (PerkinElmer).
6517	1	Enzyme Assay	The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 doses studied for ability to prevent metabolic breakdown of uridine, through the in vitro inhibition of mouse and human small intestinal UPase enzyme, was 0, 0.1, 0.5, 1, 5, 10, 50, 100, 500, 1000, 5000 and 10000 uM). Detection of UPase activity was determined by HPLC analysis using UV detection of uracil concentration (UPase catabolizes uridine into uracil and ribose-1-phosphate).The UPase enzyme material was prepared from homogenized mouse and human being small intestinal tissue. TK-112690 was dissolved in water (50 mg/ml) and analyzed for UPase inhibition in aqueous solution containing 5 mM uridine, 0.01 M Tris, 0.01 M phosphate, 1 mM EDTA, and 1 mM DTT. Reactions were performed at 37 C. at pH of 7.3.TK-11260 inhibition of mouse and human UPase was analyzed by reverse phase HPLC using UV detection.
6518	1	TR-FRET-Based Phosphodiesterase Assay	A TR-FRET-based phosphodiesterase assay kit from "Molecular Devices" was used to test whether these compounds were indeed direct inhibitors of the PDE4 enzyme. Using Roflumilast as a positive control, compounds of the present invention were tested against fluorescein-labeled cAMP substrate. The principle of the assay is based on the binding of a nucleotide monophosphate generated upon cAMP conversion to 5&#8242; AMP by PDE to an "IMAP binding reagent", which in turn is also ligated to a separate complex carrying terbium (Tb)-donor molecule. Proximity of the fluoreceinated 5&#8242;AMP to the Tb donor generates Fluorescence Resonance Energy Transfer. A PDE inhibitor will reduce the conversion of cAMP to 5&#8242;AMP, thus reducing monophosphate that can bind to the IMAP binding reagent and reduce the resulting FRET signal.
6519	1	Binding Assay	Streptavidin (20 ul) (10 ug/ml Streptavidin type II (Wako Pure Chemical Industries, Ltd.), 10 mM Tris-HCl (pH 7.5), 10 mM NaCl) was added to a 384 well black plate (Nunc MaxiSorp, Thermo Fisher Scientific Inc.), and the plate was subjected to centrifugation (1000 rpm, 1 min) and coated overnight at 4 C. The plate was washed twice with PBST (PBS, 0.05% Tween 20, 100 ul/well) and blocked with 25% Block Ace (Snow Brand Milk Products Co., Ltd., PBS, 100 ul/well). The plate was subjected to centrifugation (1000 rpm, 1 min) and incubated at room temperature for 4 hr or overnight at 4 C. The plate was washed twice with PBST (PBS, 0.05% Tween 20, 100 ul/well), and biotinylate human TTR (stock solution concentration 1.0 mg/ml) diluted 750-fold with PBST was added at 20 ul/well. The plate was subjected to centrifugation (1000 rpm, 1 min) and stood still at room temperature for 1.5 hr or overnight at 4 C. The plate was washed 3 times with PBST (100 ul/well).
6520	1	Binding Assay	The synthesized substances were examined in a PAR1 binding test. This tested whether the substances can inhibit the binding of a radioactively labeled PAR1 agonist known from the literature at the PAR1 receptor (Ho-Sam Ahn, Mol Pharm, 51:350-356, 1997).The human PAR1 receptor was expressed transiently in High Five insect cells. From these cells, after 48 hours, a membrane preparation was produced by standard methods, aliquoted into 10 mM Tris-HCl; 0.3 mM EDTA; 1 mM EGTA; 250 mM sucrose pH 7.5, and stored at -80 C.The substances were preincubated with the membrane at RT for 15 minutes, then the radioligand (ALA-(para-F-Phe)-Arg-ChA-homoArg-(3,4-3H-Tyr)-NH2; approx. 40 Ci/mMol) was added. The end concentration of the radioligand in the test buffer (50 mM Tris-HCl; 10 mM MgCl2; 1 mM EGTA; 0.1% BSA; 2% DMSO) was 20 nM, that of the membrane 1 mg/ml. After an incubation time of 60 minutes, 25 uL of the mixture were transferred to a 96-well MultiScreenHTS FB microtiter filtration.
6521	1	Radioligand Binding Assay	HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2x 10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000xg for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer.
6521	2	Radioligand Binding Assay	HEK293 cells stably expressing rat CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2x 10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000x g for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 20 ug/well for rat CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 45 min incubation at 30u C., binding reaction was terminated by the addition of 300 ul/well of cold assay buffer.
6523	1	Fluorometric Imaging Plate Reader (FLIPR) Assay	Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calcium concentration in L(tk-) cells expressing human mGluR5a receptors (see L. P. Daggett et al., Neuropharm. Vol. 34, pages 871-886, 1995) is inhibited by utilizing methods as described e.g. by L. P. Daggett et al., Neuropharm. Vol. 34, pages 871-886 (1995) and P. J. Flor et al., J. Neurochem. Vol. 67, pages 58-63 (1996).  Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induced intracellular calcium increases using a 96 well plate-based Fluorometric Imaging Plate Reader (FLIPR).
6525	1	Fluorometric Assay	A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 uM; kcat=75 s-1; kcat/Km=1.5x10E+6 M-1 s-1. A typical reaction contains approximately 50 pM enzyme, 50 uM Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 uL. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 uM AMC is produced in 30 minutes at 25 degrees C. The enzyme used in these studies was soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system (Bac-To-Bac, Gibco BRL). The kinetic constants for hydrolysis of Gly-Pro-AMC and GLP-1 were found to be in accord with literature.
6527	1	Inhibition Assay	Assays that were used to measure affinity of the compounds of the present invention for 5-HT1A and 5-HT1B receptors are described in J. Recept Signal Transduct. Res. 22:483-495 (2002) and Naunyn-Schmiedeberg's Arch Pharmacol. 356:328-334 (1997) and incorporated by reference herein. These assays were be used with some modifications:For the binding assay stably transfected chinese hamster ovary (CHO) cell lines expressing 5-HT1A receptors or 5-HT1B receptors were harvested by centrifugation at 300x g for 10 min and resuspended in 10 mM Tris-HCl, 5 mM EDTA at pH 7.4. The cells were pooled, recentrifuged and resuspended before homogenisation using a Dounce homogeniser ("type B"). Cell membranes were centrifuged at 48 000x g for 10 min and then resuspended in harvesting buffer using an Ultra-Turrax T8 (IKA Labortechnik, Germany), aliquots were stored frozen in -70 C.Frozen membrane preparations were thawed, homogenized with an Ultra-Turrax and mixed with SPA beads.
6528	1	Inhibitory Assay	FCPIA Characterization of RGS Inhibitory Activity: CCG-50014 (FIG. 1) was originally identified as a potential inhibitor of RGS8 and RGS16 in a polyplex high throughput screen to identify inhibitors of the RGS-G&#945; interaction [4]. This activity was confirmed by analyzing the effect of CCG-50014 on several different RGS proteins with freshly reordered compound using multiplexed FCPIA. CCG-50014 fully inhibited several different RGS proteins including RGS4, 8, 16, and 19, but did not have activity on RGS7 or a mutated form of RGS4 that lacks cysteine residues.
6529	1	Kinase Assay	The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled phosphate from [gamma-33P]ATP to the protein substrate 4E-BP1. Compounds were first prepared at 50x the top dose of 10,000 nM and serially diluted 3-fold in DMSO to give ten dose dilution series. Assays were conducted in 96-well polypropylene U-bottom plates in 40 uL (final volume) assay mixtures that contained 50 mM K+HEPES, pH 7.5, 1 mM EGTA, 0.005% Tween-20, 10 mM MnCl2, 2.5 mM DTT, 2% DMSO (final concentration with compound), 10 uM [gamma-33P]ATP (50 uCi/mL), 5 uM 4E-BP1 and 5 nM mTOR, which was added last to initiate the assay. Each plate contained appropriate high (uninhibited) and low (prequenched) controls as well as a reference compound. Incubations were carried out at 22 C. for 45 minutes, after which the reaction was stopped by the addition of 100 uL aliquots of 25% TCA.
6530	1	Inhibition Assay	The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixture (49 uL) containing 100 mM Tris-HCl (pH 8.0), 1 mM reduced glutathione, 0.1 mg/mL gamma-globulin, and human H-PGDS (q.s.), and a compound (final concentration: 0.01-100 uM) was preincubated at 25 C. for 5 minutes. Note that a DMSO solution (final concentration: 1%) was added to the solvent control group. Subsequently, 1 uL of [14C] prostaglandin H2 (final concentration: 10 uM) was added to start the reaction. One minute after the start of the reaction, 250 uL of a reaction stopper solution (diethylether/methanol/1 M citric acid (30/4/1) at a temperature of -20 C. was added to stop the reaction. After the reaction was stopped, 50 uL of the upper layer portion (organic solvent phase) was applied to a TLC plate and developed at -20 C. for 45 minutes.
6531	1	Electrochemiluminescence (ECL) Assay	A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximated at 50 uM. A typical reaction contains approximately 0.6 nM enzyme, 0.25 uM of the substrate, and buffer (50 mM Pipes, pH 6.5, 0.1 mg/ml BSA, 0.2% CHAPS, 15 mM EDTA and 1 mM deferoxamine) in a total reaction volume of 100 ul. The reaction proceeds for 1-2 hrs and is then stopped by the addition of 150 uL of a quench cocktail solution (25 ul M Tris-HCl, pH 8.0, 50 ul INC buffer (2% BSA, 0.2% Tween-20 and 0.05% sodium azide diluted in Phosphate buffered saline (PBS) plus 75 uL PBS), containing Streptavidin coated magnetic beads and ruthenylated antibody which specifically recognizes the C-terminal residue of the product. The samples are subjected to M-384 (Igen Inc., Gaithersburg, MD) analysis. Under these conditions, less than 10% of substrate is processed by BACE 1.
6533	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 uM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 ug/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL).
6534	1	Gel-Based Assay	Assay: Unless indicated otherwise, Tdp1 assays were performed in 20 ul mixtures containing 50 mM Tris-HCl, pH 8.0, 80 mM KCl, 2 mM EDTA, 1 mM dithiothreitol (DTT), and 40 ug/ml bovine serum albumin (BSA). For initial screening of Tdp1 inhibitors, 25 nM of 5'-32P-labeled substrate (D14Y) was reacted with 1 ng Tdp1 (~0.7 nM) in the absence or presence of inhibitor for 20 min at 25 C. Reactions were stopped by addition of 60 ul of gel loading buffer (98% (v/v) formamide, 1% (w/v) xylene cyanol, 1% (w/v) bromophenol blue). Twelve ul of aliquots were resolved in 20% denaturing polyacrylamide (AccuGel, National Diagnostics, Atlanta, Ga.) (19:1) gel containing 7 M urea. After drying, gels were exposed overnight to PhosphorImager screens (Molecular Dynamics, Sunnyvale, Calif.). Screens were scanned, and images were obtained with the Molecular Dynamics software (Sunnyvale, Calif.). Densitometry analyses were performed using ImageQuant 5.2 software package.
6535	1	IMAP FP Assay	PDE4 specifically hydrolyzes cAMP and releases the product AMP. The potency of PDE inhibition by said agents is determined in an in vitro enzymatic assay. The assay is commercially available (IMAP FP assay Molecular Devices Corp. (MDS)) and is optimized for the use of human PDE4. Fluorescently labeled cAMP is hydrolyzed by PDE4 and in a second step, binding of labeled product to a large binding partner allowed product detection by fluorescence polarization (FP) measurements.PDE4 is partially purified from undifferentiated human monocytic cells (U-937) according to Thorpy et al. 1992 (J. Pharmacol. Exp. Ther. 263: 1195). Final preparations are specific for cAMP and did not hydrolyze cGMP above the detection limit of the assay. In addition, PDE4 preparations are validated by inhibition studies with PDE4-specific and unspecific PDE inhibitors.Stock solutions of test compounds are made in DMSO and diluted in assay buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.1% BSA 0.05% NaN3, pH 7.2).
6536	1	Fluorescent Activity Assay	In vitro HDAC assays were performed using a HDAC fluorescent activity assay kit (Biomol, UK) according to the manufacturer's instructions. Compounds were reduced prior to analysis; 1 mM compound was reduced with 30 mM DTT in DMSO overnight at room temperature, protected from light. Reactions were then set up in a 96-well plate. For each reaction 10 ul compound (5x required concentration in assay buffer) was mixed with 15 ml diluted HeIa Nuclear Extract (30-fold in assay buffer). Serial dilutions were set up for each compound. Reactions containing HeIa extract only and assay buffer only were also set up. 25 ul diluted Fluor de Lys substrate (100-fold in assay buffer) was added to each reaction, which were then incubated at 37C for 1 hour. The reaction was stopped by addition of 50 ul Fluor de Lys Developer (20-fold dilution in assay buffer, plus TSA diluted 100-fold). The reactions were then incubated at room temperature for 10 minutes before fluorescence was measured.
6537	2	Diluted TR-FRET Assay	TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in Tris buffer, pH 9.2 and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 ul) was added to the plate then 1 ul of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes.
6538	1	Biochemical Assay	The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. A similar method for isolation of FASN from SKBr3 cells is described in Teresa, P. et al. (Clin. Cancer Res. 2009; 15(24), 7608-7615).FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4 -maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission.
6539	1	Inhibition Assay	The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES.
6540	1	Inhibition Assay	The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH is 6.0 with HClAssay Conditions:The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 mM at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 mM Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM).
6542	1	Biological Assay	Human liver Cathepsin L (Sigma) was preincubated with test compounds at various concentrations for 5 minutes at 25C. The assay was initiated by addition of substrate Z-Phe-Arg-aminomethylcoumarin (Z-F-R-AMC Bacchem) and the final assay conditions were 1 nM cathepsin L, 50 uM Z-F-R-AMC, 100 mM sodium acetate pH 5.5, 1 mM EDTA (Omnipure), 3 mM DTT (EMD), 0.01% BRIJ 35 (Sigma), and 2.0% DMSO (Acros). Test compounds were serially diluted with DMSO and water to include a final concentration range of 10 uM to 10 pM. The reaction was monitored fluorometrically for 5 minutes at 25C. using black 96-well Corning 3686 assay microplates with a Thermo Fluoroskan Ascent FL microplate reader at excitation and emission filter wavelengths of 355 nm and 460 nm, respectively.
6542	2	Biological Assay	Recombinant human procathepsin K was obtained from Enzo Life Sciences. Activation of the proenzyme was performed in 32.5 mM sodium acetate pH 3.5, EDTA 1 mM, NaCl 500 mM, human procathepsin K 5.5 uM, at room temperature. Activation times were optimized and varied between 35 and 150 minutes. Cathepsin K was preincubated with test compounds at various concentrations for 5 minutes at 25C. The assay was initiated by addition of substrate Z-Phe-Arg-aminomethylcoumarin ("Z-F-R-AMC" Bacchem) and the final assay conditions were 1.5 nM cathepsin K, 50 uM Z-F-R-AMC, 150 mM sodium acetate pH 5.5, 2.5 mM EDTA (Omnipure), 2.5 mM DTT (EMD), 0.01% BRIJ 35 (Sigma), and 4.0% DMSO (Acros). Test compounds were serially diluted with DMSO and water to include a final concentration range of 10 uM to 10 pM. The reaction was monitored fluorometrically for 5 minutes at 25C. using black 96-well Corning 3686 assay microplates with a Thermo Fluoroskan Ascent FL microplate reader.
6542	3	Biological Assay	Human liver Cathepsin B (Calbiochem) was pre-incubated with test compound at various concentrations for 5 minutes at 37C. The assay was initiated by addition of substrate Z-Arg-Arg-aminomethylcoumarin (Z-R-R-AMC Bacchem) and the final assay conditions were 1.1 nM cathepsin B, 60 uM Z-R-R-AMC, 126 mM sodium potassium phosphate pH 6.0 (Fisher), 0.3 mM EDTA (Omnipure), 2.7 mM DTT (Omnipure), 0.004% BRIJ 35 (Sigma), and 2.0% DMSO (Acros) in a final volume of 200 uL. Test compounds were serially diluted with DMSO and 0.01% BRIJ 35 to include a final concentration range of 20 uM to 10 pM. The reaction was monitored fluorometrically for 5 minutes at 37C. using black 96-well Corning 3686 assay microplates with a Thermo Fluoroskan Ascent FL microplate reader at excitation and emission filter wavelengths of 355 nm and 460 nm, respectively.
6543	1	Binding Assay	Binding assay using NET, DAT and SERT enzyme.
6544	1	Kinase Inhibition Assay	Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a compound concentration ranging from 1 uM and 10 uM. Serial dilutions of compounds of the invention were dispensed into a 96-well plate (GREINER BIOSCIENCES) at 6 uL each. Purified full-length human SYK, and KDR (CARNA BIOSCIENCES) were diluted in kinase buffer and added to the compound solutions and pre-incubated for 30 minutes at room temperature. Next, ATP (TEKNOVA) of Km (15 uM) and substrate solution (suggested manufacture substrates of PerkinElmer, for example, Ulight-TK peptide for SYK and Ulight-JAK1 for KDR (PERKINELMER)) was added (12 uL each) to the wells containing the compound solution and enzyme. The reaction mixture was incubated for 1 hour. Following the incubation, the stop solution made with EDTA, water, and Lance detection buffer (PERKINELMER) was added (12 uL each) to stop phosphorylation.
6546	1	Biochemical Assay	The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the polarization signal observed upon binding of the probe to PARP-1, -2 and -3.The probe of formula (IP) was tested for its ability to bind FL PARP-1, -2 and -3 in a titration experiment. The assay performances were then evaluated (Z factor) as well as the displacement of the probe by its scaffold and known commercially available PARP inhibitors. In all of the experiments, the polarization signal was measured using a Saphire2 plate reader (Tecan). Data analysis was performed using Dynafit software. In particular, titration data were fitted to the following equilibria: Enzyme+probe <==> Complex Enzyme-probe, while displacement data were fitted to the following equilibria: Enzyme+probe <==> Complex Enzyme-probe, Enzyme+Compound <==> Complex Enzyme-Compound, whereby binding of probe and compound on the enzyme are mutually exclusive.
6546	2	Biochemical Assay	Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacement assay.The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps ofa) providing a reaction mixture containing:the PARP protein isoform under investigation,a compound of formula (IP): wherein R10 is hydrogen or methyl, B is (CH2)nNH group, n is 2 to 6; m is 0 or 1 and X&#8722; is a counterion, and serial dilutions of the test compound;b) comparing the polarization signal generated in the absence of the test compound with the one generated in the presence of different concentrations of the test compound, andc) evaluating the ability of the test compound to displace the compound of formula (IP) as defined above indicated from a decreased fluorescence polarization level. The polarization signal can be measured, e.g., by a plate reader such as the Saphire2 (Tecan).
6547	1	FP Assay	The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of TTR. The FP assay was performed in 384-well plate using very low concentration of probe 5 (1.5 nM) and TTR (50 nM) in a 10 &#956;L assay volume. A detergent (0.01% Triton-X100) was added to the assay buffer to avoid any false positive hits from promiscuous, aggregate-based inhibitors. The assay demonstrated robust performance, with a very good dynamic range (&#8722;70-230 mP) and a Z&#8242; factor in the range of 0.57-0.78 (FIGS. 4A and 4B). "Hits" were defined as compounds that resulted in at least 50% decrease in fluorescence polarization and demonstrated relative fluorescence between 70 and 130%. Many fluorescence quenchers and enhancers having less than 70% and greater than 130% total fluorescence relative to a control, respectively, were excluded from the hit list. 200 compounds were designated as positive hits (0.167% hit rate). 
6548	1	Inhibition Assay	Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition of PKM2 activity greater than 50%. Activity was measured by monitoring the concentration of NADH. Pyruvate, produced by the enzymatic activity of pyruvate kinase, is converted into lactate by lactate dehydrogenase, which requires the consumption of NADH (NADH&#8594;NAD+). Thus, the activity of PKM2 was indirectly measured by monitoring the consumption of NADH through fluorescence assays. Additionally, the activity of the PKM2 enzyme was directly monitored by measuring the production of ATP, as ATP is produced when phosphoenolpyruvate is converted to pyruvate by PKM2.
6549	1	In Vitro Inhibition Assay	The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 pM) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 uM. Substrate hydrolysis leads to an increase fluorescence lifetime (FLT) of PT14 measured by the means of a FLT reader as described by Doering et al. (2009). The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature.
6550	1	Radioligand Binding Assay	Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.
6551	1	Inhibition Assay	The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2P04, 150 mM NaCl adjusted to pH 6.0 with HC1Assay conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1 :2 ratio with a Cysteamine aqueous solution ( 2mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uM of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM).
6551	2	Inhibition Assay	The following buffers were used: Activation buffer: 32.5 mM sodium acetate, adjusted to pH 3.5 with HCl; Assay buffer: 150 mM sodium acetate, 4mM EDTA, 20 mM L-Cysteine, adjusted to pH 5.5 with HCl,Assay conditions: To activate the proenzyme, 5 uLprocathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min. 5 uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of Cathepsin K in assay buffer (final concentration 2 ng/uL) and incubated for 10 min. Then 5 uL of substrate in assay buffer (final concentration 12.5 uM) were added. The plates were then incubated at room temperature for 60min. Then, the reaction was stopped by adding 10 uL of E64 in assay buffer (final concentration 1 uM). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader.
6552	1	Scintillation Proximity Assay	The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin.To a 96 wells MTP containing 10 ul of the test compound of Formula (I) (solubilized in 10% DMSO; to yield a concentration of 100, 25, 5.0, 1.25, 0.312, 0.078, 0.0195, 0.00488, 0.00122 and 0.0003 uM of the test compound), the following assay components are added: 1) 10 ul of lipid micelles 2) 20ul of Kinase buffer ([33P]-gamma-ATP 162uM/300 nCi, MgCl2 2.5mM, DTT 2.5mM, Na3VO4 25uM in Hepes.
6553	1	Spectrophotometric 384 Well Assay	Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction.For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.All compounds are dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM.Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/ml BSA, 3.75 mM reduced L-glutathione, 15 U/ml lactate dehydrogenase, 0.5 mM phosphoenolpyruvate.
6554	1	Binding Assay	The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulfonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4 C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000xg, 4 C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000xg, 4 C., 10 min). The two supernatants are combined and centrifuged (15 000xg, 4 C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is washed with binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and centrifuged (15 000x g, 4 C., 30 min), twice.The P2 membranes are resuspended in binding buffer and incubated in a volume of 250 ul (amount of membrane protein 0.1-0.5 mg).
6555	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay:Test compounds were serially diluted in DMSO starting at 50 .mu.M (2.times. starting concentration; 10% DMSO) and 10 .mu.L transferred into a 384-well plate. The samples are then mixed on a shaker for 1 minute then incubated for an additional 2 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-his antibody) emission filters. Dissociation constants (K.sub.i) were determined using Wang's equation (Wang, Z. X.).
6556	1	Fluorescence Polarization (FP) Based Competitive Assay	Binding affinities of the present compounds to XIAP linker-BIR2-BIR3 (residues 120-356), cIAP1-BIR3 (residues 253-363), and cIAP-2 BIR3 (residues 238-349) proteins were determined by fluorescence polarization (FP) based competitive assays. For cIAP-1 BIR3 and cIAP-2 BIR3 assays, a fluorescently labeled Smac mimetic (Smac-2F) was used as the fluorescent probe. The Kd values of Smac-2F to cIAP-1 BIR3 and cIAP-2 BIR3 were determined by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 2 96-well, black, round-bottom plates (Thermo Scientific). To each well, 1 nM of SMAC-2F and increasing concentrations of protein were added to a final volume of 125 ul in the assay buffer (100 mM potassium phosphate, pH 7.5).
6557	1	Inhibition Assay	The inhibitory activity of these compounds of the present invention against human dUTPase was determined by measuring the production of [5-3H]deoxyuridine monophosphate (hereinafter, referred to as [5-3H]dUMP) from [5-3H]deoxyuridine triphosphate (hereinafter, referred to as [5-3H]dUTP) according to a method shown below.Specifically, 0.2 mL in total of a solution containing 0.02 mL of 1 uM dUTP (including 588 Bq/mL [5-3H]dUTP), 0.05 mL of a 0.2 M Tris buffer solution (pH 7.4), 0.05 mL of 16 mM magnesium chloride, 0.02 mL of 20 mM 2-mercaptoethanol, 0.02 mL of a 1% aqueous solution of fetal bovine serum-derived albumin, 0.02 mL of varying concentrations of test compound solutions or pure water as a control, and 0.02 mL of a solution of human dUTPase, which is expressed in E. coli and then purified, was incubated at 37 C. for 15 minutes. After the incubation, the solution was heated at 100 C. for 1 minute to terminate the reaction, followed by centrifugation at 15000 rpm for 2 minutes.
6560	1	In Vitro Assay	Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
6561	1	Polymerase Assay	Assay Protocol: Either wild type or S282T (Migliaccio, et al., J. Biol. Chem. 2003, 49164-49170; Klumpp, et al., J. Biol. Chem. 2006, 3793-3799) mutant polymerase enzyme was used in this assay. NS5b polymerase assay (40 uL) was assembled by adding 28 uL polymerase mixture (final concentration: 50 mM Tris-HCl at pH 7.5, 10 mM KCl, 5 mM MgCl2, 1 mM DTT, 10 mM EDTA, 4 ng/uL of RNA template, and 75 nM HCV D21 NS5b polymerase) to assay plates followed by 4 uL of compound dilution. The polymerase and compound were pre-incubated at 35 C. for 10 minute before the addition of 8 uL of nucleotide substrate mixture (33P-gamma-labeled competing nucleotide at KM and 0.5 mM of the remaining three nucleotides). The assay plates were covered and incubated at 35 C. for 90 min. Reactions were then filtered through 96-well DEAE-81 filter plates via vacuum. The filter plates were then washed under vacuum with multiple volumes of 0.125 M NaHPO4, water, and ethanol.
6562	1	Enzyme Assay	Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into 10 confluent 75 cm2 monolayers which were incubated at 37 ° C. for 2-3 days and harvested when full cytopathic effect was observed. Virus purification: The pooled cell lysates were frozen and thawed and clarified by centrifugation at 3000 g for 20 mM. The supernatant was subjected to ultracentrifugation at 25,000 rpm for 90 min and the virus containing pellet was resuspended in 2 mL of MegaVir medium (Hyclone). Virus concentration was assessed by hemagglutination (HA) at 40,960 HA units. Virus inactivation: NP40 (Fluka) was added to the purified influenza virus at a final concentration of 0.2% and the mixture was incubated at room temperature for a total of 3 hours and at 4 ° C. for 6 h. The inactivation of the virus was confirmed by the Tissue Culture Infectious Dose assay.
6563	1	Inhibition Assay	Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 &#956;M by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 &#956;M. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 &#956;M by serial dilution with DMSO:ACN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 &#956;M. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v.
7194	1	Sandwich Immunoassay	This test is based on measurement of the expression of AKT protein phosphorylated on serine 473 (P-AKT-S473) in the PC3 human prostate carcinoma line, by the technique based on a sandwich immunoassay using the Kit MSD Multi-spot Biomarker Detection of Meso Scale Discovery: phospho-Akt kits (Ser473) whole cell lysate (# K151 CAD) or phospho-Akt (Ser473) / Akt whole cell lysate Total (# K15100D). The primary antibody specific for P-AKT-S473 (Kit # K151 CAD) is coated onto an electrode in each well of 96-well plates of the MSD kit: after adding a protein lysate in each well, the revelation of the signal done by the addition of a secondary antibody labeled with an electrochemiluminescent detection compound. The procedure is described in the kit.On day 1, the PC3 cells are inoculated in 96-well plates (TPP # 92096) at a concentration of 35000 cells / well in 200 uL DMEM medium (DMEM Gibco # 1 1960-044) containing 10% fetal calf serum (FBS Gibco, # 10500-056) and 1% glutamine.
7197	1	Scintillation Proximity Assay (SPA)	PDE4B1 activity was inhibited by the compounds according to the invention in a modified SPA (scintillation proximity assay) test, supplied by Amersham Biosciences (see procedural instructions phosphodiesterase [3H]cAMP SPA enzyme assay, code TRKQ 7090), carried out in 96-well microtitre plates (MTP's). The test volume is 100 ul and contains 20 mM Tris buffer (pH 7.4), 0.1 mg/ml of BSA, 5 mM Mg2+, 0.5 uM cAMP (including about 50,000 cpm of [3H]cAMP), 1 ul of the respective substance dilution in DMSO and sufficient recombinant PDE (1000x g supernatant, see above) to ensure that 10-20% of the cAMP is converted under the said experimental conditions. The final concentration of DMSO in the assays (1% v/v) does not substantially affect the activity of the PDE investigated. After a preincubation of 5 min at 37&deg; C., the reaction is started by adding the substrate (cAMP) and the assays are incubated for a further 15 min.
7218	2	Histamine H-4 Receptor Binding Assay	Histamine H-4 Receptor Binding Assay
7222	2	AKT Enzyme Assay	A TTP Mosquito liquid handling instrument is used to place 125 ul of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction components are added to a final volume of 12.50 0.1 ng/uL His-AKT (Full Length), (Invitrogen, Part # P2999, Lot #641228C). 160 uM ATP (Fluka, 02055) 1 mM DTT (Sigma, D0632) 1 mM MgCl2 (Sigma, M1028) 1 uM substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2), synthesized by Tufts Peptide Synthesis service. 100 mM HEPES pH 7.5 (Calbiochem, 391338) 0.015% Brij-35 (Sigma, B4184)The reaction is incubated for 90 min at 25&deg; C, and then stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)).The plate is read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure -2.3 psi, upstream voltage -500, and downstream voltage -3000.
7229	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 uM final concentration). Final volume of the reaction was 10 uL. Phosphorylation of the peptide was allowed to proceed for 45x at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5.
7231	1	In vitro LRRK2 Lanthascreen Binding Assay	This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together.Binding of the Alexa Fluor "tracer" to a kinase was detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET.Assay conditions and materials used were as follows: Final Assay Conditions:GST-LRRK2 G2019S 10 nM; Eu-anti-GST-antibody 2 nMKinase tracer 236 8.5 nM; Kinase reaction time: 1 hour; Temperature: ambient; Total volume: 15 ul; DMSO: 1%; Materials: 384 well proxiplates F black shallow well Perkin Elmer cat#6008260Kinase: LRRK2 G2019S Invitrogen cat #PV4882(LOT 567054A). Eu-labeled anti-GST antibody Invitrogen cat #PV5594Alexa Fluor.
7234	3	Aurora B Kinase Inhibition Assay	The in vitro inhibitory activity of the compound against Aurora B kinase activity was assayed with reference to a method described in patent publication (JP-A-2008-81492). The purified recombinant human Aurora B protein used in the test was purchased from Carna Biosciences, Inc. For the inhibitory activity assay on the compound, the compound of the present invention was first serially diluted with dimethyl sulfoxide (DMSO). Next, the purified human Aurora B protein FL-Peptide 21 (Caliper Life Sciences, Inc., final concentration: 100 nM), magnesium chloride (final concentration: 1 mM), ATP (final concentration: 40 uM), and each DMSO solution of the compound of the present invention (final concentration of DMSO: 5%) were added into a buffer solution for reaction (20 mM HEPES pH 7.4, 2 mM DTT, 0.01% Tween-20), and the mixture was then incubated at 25&deg; C. for 60 minutes to perform kinase reaction. The kinase reaction was stopped by the addition thereto of IMAP.TM.
7240	1	Inhibition Assay	CYP17 activity was assayed according to the following procedure. Solutions of each test compound and isozyme inhibitor (ketoconazole) were separately prepared at concentrations of 2700, 540, 90, 18, 3, 0.6 and 0.1 uM by serial dilution with DMSO:ACN (50:50 v/v). The individual test compound and isozyme inhibitor solutions were then diluted 20-fold with deionized water (50:950 v/v) to concentrations of 135, 27, 4.5, 0.9, 0.15, 0.03 and 0.005 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture is 1%. Pooled rat testicular microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 1.25 mg/mL suspension. A solution of NADPH was prepared in phosphate buffer at a concentration of 2.5x. A stock solution of the substrate was prepared in DMSO:MeCN (50:50 v/v), mixed, and diluted in phosphate buffer to obtain a single solution containing the substrate at 5 uM.
7241	2	Inhibition Assay	The compounds according to the invention are tested in a range of concentrations (10pM to 10 µM final) in assay buffer (50 mM TRIS, 100 mM NaCl, 0.1 % BSA, pH 7,5) with 0.1% maximal final DMSO concentration and deposited in a proportion of 25 µl per well, on 25 µL enzyme (human coagulation factor Xa: Enzyme Research Laboratories HFXa, final concentration 0.003Ul/ml). The reactive were mixed, centrifuged and incubated 10 minutes at 37°C in a 96 well microtiter plate. The enzyme reaction was started with 50 µL substrate (S-2765, Biogenic ref 821413 in a final concentration of 62.5µM final). The time course of the reaction was monitored at 405 nm in a microtiter plate reader (Tecan M200) for 20 minutes at 37°C. The percentage of inhibition of enzymatic activity (expressed as maximum rate of cleavage of the substrate) is calculated with respect to the enzymatic activity in the absence of inhibitor.
7244	1	FRET-Based Assay	The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many references listed in the introductory section of this application. Therefore, the activity of the compounds of the invention as anti-HCV agents was assessed using a full length HCV NS3 protease.The protease activity of the full length NS3/4a was measured using a FRET-based assay utilizing a peptide substrate derived from the NS4A/B cleavage site (Anaspec) and labelled at one end with a quencher (QXL520) and at the other with a fluorophore (5-FAMsp). NS3/4a (produced in-house by literature methods) was incubated with test compounds and peptide substrate in 50 mM Tris pH8, 20 mM DTT, 1% CHAPS, 10% glycerol and 5% DMSO. The reaction was followed by monitoring the change in fluorescence on a Molecular Devices Gemini plate reader for 30 minutes at room temperature.
7252	1	In Vitro Competitive Displacement Binding Assay	Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, cIAP-1 or cIAP-2. BIR3 domains of cIAP-1, cIAP-2 and XIAP were incubated with test compounds or SMAC based peptides and their respective peptide probes (Peptide Protein Research) in assay buffer (50 mM Hepes pH 7.5, 0.025% Tween-20, 0.01% BSA, and 1 mM DTT). Positive controls consisted of BIR3 proteins and tracer (no inhibition) and negative controls contained tracer only (100% inhibition). The samples were incubated at room temperature for 1 hr (XIAP and cIAP-2) or 3 hrs (cIAP-1) prior to being read in the BMG Pherastar in Fluorescence Polarization mode (FP 485 nm, 520 nm, 520 nm).
7253	1	Radioligand Binding	HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, EP3, or EP4 receptors were washed with TME buffer, scraped from the bottom of the flasks, and homogenized for 30 sec using a Brinkman PT 10/35 polytron. TME buffer was added to achieve a final 40 ml volume in the centrifuge tubes (the composition of TME is 100 mM TRIS base, 20 mM MgCl2, 2M EDTA; 10 N HCl is added to achieve a pH of 7.4).The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4 C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buffer to give a final 1 mg/ml protein concentration, as determined by Biorad assay. Radioligand binding competition assays vs. [3H-]17-phenyl PGF2 (5 nM) were performed in a 100 ul volume for 60 min. Binding reactions were started by adding plasma membrane fraction. The reaction was terminated by the addition of 4 ml ice-cold TRIS-HCl buffer and rapid filtration through glass fiber GF/B filters using a Brandel cell.
7260	1	pH-Based Assay	Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Becton-Dickinson) at 75,000 cells/well in growth media containing 5 uM PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 (wash buffer), and loaded using 0.1 mL of wash buffer containing Fluo-4 (3 uM final concentration, commercially available from Molecular Probes). After 1 h, the cells are washed twice with 0.2 mL wash buffer and resuspended in 0.05 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 3.5 mM CaCl2 and 10 mM Citrate, pH 7.4 (assay buffer). Plates are then transferred to a FLIPR for assay.
7260	2	Capsaicin-Based Assay	Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth media containing 5 uM PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4, and cells are loaded using 0.1 mL of wash buffer containing Fluo-4 (3 uM final). After one hour, the cells are washed twice with 0.2 mL of wash buffer and resuspended in 0.1 mL of wash buffer. The plates are transferred to a FLIPR for assay. 50 uL of test compound diluted with assay buffer (1x Hank's Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) are added to the cell plates and incubated for 2 min. The final concentration of the compound is adjusted to range from about 50 picoM to about 3 uM.
6565	3	Receptor Selection and Amplification Technology	R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80% confluence in Dulbecco s modified Eagle s medium (DMEM) supplemented with 10% bovine calf serum (Hyclone Laboratories, Logan, UT) and 1% penicillin/streptomycin/glutamine (Invitrogen, Carlsbad, CA).
6565	2	Radioligand Binding Assay	For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfect transfection reagent (QIAGEN, Valencia, CA) according to manufacturer s protocols. Two days after transfection, cells expressing the desired serotonin receptor were homogenized in 20 mM HEPES/10 mM EDTA and spun down at 11,000g at 4 C for 30 min. The supernatant was discarded, and the pellet was resuspended in 20 mM HEPES/1 mM EDTA and spun down at the same setting. The pellet was then resuspended in 20 mM HEPES/0.5 mM EDTA, and membranes were used for binding assays. Bradford analysis was used to determine total membrane protein.
6566	1	Fluorescence Polarisation Assay	In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topological^ relaxed plasmid containing the triplex-forming sequence TTCTTCTTCTTCTTCTTCTTCTTCTTC (SEQ ID NO: 1) in an assay buffer consisting of 35 mM Tris-HCI (pH 7.5), 24 mM KCI, 4 mM MgCI2, 2 mM dithiothreitol, 1.8 mM spermidine, 5% (v/v) glycerol, 200 nM bovine serum albumin, 0.8%dimethylsulfoxide, and 0.3 mM ATP were incubated at ambient temperature for (typically 30 minutes) in the absence or presence of 5 -10 different concentrations of test compound. The supercoiling reactions were quenched by the addition of 10 microliters/well of 40 nM oligodeoxynucleotide probe in 3X triplex-forming buffer consisting of 150 mM NaCI, and 150 mM sodium acetate at pH 3.5. The oligodeoxynucleotide probe was 5'-BODIPY-FL-labeled TTCTTCTTC (SEQ ID NO:2). After 60 minutes, the fluorescence anisotropy of the BODIPY- FL was measured in a Tecan Ultra plate.
6567	1	Inhibition Assay	The ability of the substances to inhibit the SGLT-2 activity may be demonstrated in a test set-up in which a CHO-K1 cell line (ATCC No. CCL 6 1) or alternatively an HEK293 cell line (ATCC No. CRL-1573) is stably transfected with an expression vector pZeoSV (Invitrogen, EMBL accession number L36849) which contains the cDNA for the coding sequence of the human sodium glucose co-transporter 2 (Genbank Ace. No. NM003041) (CHO-hSGLT2 or HEK-hSGLT2). These cell lines transport 14C-labelled alpha-methyl-glucopyranoside (14C-AMG, Amersham) into the interior of the cell in sodium-dependent manner.The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham's F12 Medium (BioWhittaker) with 10% foetal calf serum and 250 ug/mL zeocin (Invitrogen), and HEK293-hSGLT2 cells are cultivated in DMEM medium with 10% foetal calf serum and 250 ug/mL zeocin (Invitrogen). The cells are detached from the culture flasks by washing twice with PBS.
6568	1	Luminescence-Based Kinase Assay	IC50 values were determined using an in vitro luminescence-based kinase assay against aPKC&#950; to elucidate a pharmacophore. The IC50 values determined for isopropyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (also referred to as PKCl-diMeO, PKC&#950;l-diMeO, or PKCzl3), and compounds described herein and illustrated in FIGS. 1, 3, and 7 are described in Table 1. The IC50 values were determined using an ADP Quest assay with 500 ng/ml aPKC&#950;, 10 &#956;M CREBtide, and 10 &#956;M ATP. In PKC&#950; kinase activity assays using 30 &#956;M of candidate compound, PKCl-diMeO and the compounds illustrated in FIG. 7 resulted in a 55-100% inhibition in kinase activity.
6568	2	Kinase-Glo End-Point Assay	The IC50 values for PKCl-diMeO and compounds described herein and illustrated in FIG. 6 are described in Table 2. The IC50 values were determined using a Kinase-Glo end-point assay with 125 ng/ml aPKC&#950;, 25 &#956;M CREBtide, and 0.1 &#956;M ATP.
6569	1	Kinase Assay	In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range of concentrations of 2 uM to 0.119 nM or 0.017 nM is covered. If necessary the initial concentration of 2 uM is changed to 50 uM, 10 uM, 0.4 uM or 0.2857 uM and further dilution is carried out accordingly. The final concentration of DMSO is 5%. 10 uL/well of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase, e.g. from Upstate) in 20 mM Tris-HCl pH 7.5, 0.1 mM EDTA, 0.1 mM EGTA, 0.286 mM sodium orthovanadate, 10% glycerol, 1 mg/mL bovine serum albumin, 1 mM dithiothreitol) and the mixture is incubated for 1 h at RT with shaking. The kinase reaction is started by the addition of 20 uL/well ATP solution [final concentration: 250 uM ATP, 30 mM Tris-HCl pH 7.5, 0.02% Brij, 0.2 mM sodium orthovanadate, 10 mM magnesium acetate, 0.1 mM EGTA.
6571	1	Inhibition Assay	URAT1 (Uric Acid Transporter 1) is expressed on the apical membrane in renal tubules. It mediates the re-uptake of uric acid from the urine into the blood. Inhibition of URAT1 leads to increased excretion of uric acid in the urine, and is therefore a potential mode of action for drugs that lower serum uric acid concentrations. Probenecid and Benzbromarone, for example, have been used clinically for treatment of gout and hyperuricemia, and they both act on URAT1 to reduce uric acid reuptake. However, benzbromarone was withdrawn from the market due to liver toxicity via mechanisms independent of URAT1, and probenecid acts on numerous transporter proteins, resulting in interactions with a variety of other drugs.An in vitro URAT1 assay is useful for identifying compounds with potential activity in lowering serum uric acid. A suitable assay involves transfection of cells (e g human embryonic kidney cells "HEK") with a vector encoding human URAT1.
6572	1	Kinase Inhibition Assay	The compound of Example 39, 2-(1H-indol-5-ylamino)-6-(2,4-difluorophenylsulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, was subjected to a kinase inhibition assay for the kinases. Compounds were tested in 5 dose IC50 mode with 10-fold serial dilution starting at 10 &#956;M. Staurosporine, a known protein kinase inhibitor, was tested in 5-dose IC50 mode with 3-fold serial dilution starting at 20 &#956;M. Reactions were carried out in 10 &#956;M ATP. The results are shown in Table 5. The results show that the compound of Example 39 is a kinase inhibitor highly selective for the kinase Plk2.
6573	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 .mu.g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mLs per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mLs per well PBS-T prior to starting the reaction. Reactions were carried out in 100 .mu.L reaction volumes containing 2.7 .mu.M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl.sub.2, 0.1 mM MnCl.sub.2 and 0.2 mM Na.sub.3VO.sub.4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.).
6573	2	Kinase Assay	Biochemical PDGFR.beta. kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 .mu.g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mLs per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mLs per well PBS-T prior to starting the reaction. Reactions were carried out in 100 .mu.L reaction volumes containing 36 .mu.M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl.sub.2, 0.1 mM MnCl.sub.2 and 0.2 mM Na.sub.3VO.sub.4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore).
6574	1	Enzyme Assay	A convenient method to determine IC50 of a PARP inhibitor compound is a PARP assay using purified recombinant human PARP from Trevigan (Gaithersburg, Md.), as follows: The PARP enzyme assay is set up on ice in a volume of 100 microliters consisting of 100 mM Tris-HCl (pH 8.0), 1 mM MgCl2, 28 mM KCl, 28 mM NaCl, 3.0 &#956;g/ml of DNase I-activated herring sperm DNA (Sigma, Mo.), 30 micromolar [3H]nicotinamide adenine dinucleotide (62.5 mci/mmole), 15 micrograms/ml PARP enzyme, and various concentrations of the compounds to be tested. The reaction is initiated by adding enzyme and incubating the mixture at 25° C. After 2 minutes of incubation, the reaction is terminated by adding 500 microliters of ice cold 30% (w/v) trichloroacetic acid. The precipitate formed is transferred onto a glass fiber filter (Packard Unifilter-GF/C) and washed three times with 70% ethanol. After the filter is dried, the radioactivity is determined by scintillation counting.
6577	1	HTRF Assay	As reagents for the kinase reaction itself and the quantification of the reaction product, the PI3-Kinase HTRF Assay kit from Millipore (#33-017) was used. With this kit the phosphatidylinositol 3,4,5-trisphosphate (PIP3) generated in the kinase reaction is detected by displacement of a biotinylated ligand from an energy transfer complex consisting of a Europium-labeled anti-GST monoclonal antibody, a GST-tagged PH domain, biotinylated PIP3 and Streptavidin-Allophycocyanin (APC). As kinase a complex of N-terminal His6-tagged recombinant full-length human p110alpha and untagged, recombinant, full length, human p85alpha , coexpressed by baculovirus infected Sf21 insect cells and purified using Ni2+/NTA-agarose, was used (Millipore product #14-602).For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 3 uL of a solution of PI3Kalpha .
6564	1	Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 uM final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 uM (HDAC1), 10 uM (HDAC2), 17 uM (HDAC3) and 14 uM (HDAC6). Five ul of compounds and 20 ul of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature.
6578	1	Kinase Assay	Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme may be obtained for example from the University of Dundee, Scotland. The following components are combined in a well of a 96-well round-based dish (Greiner bio-one, No. 650101):    1. 15 uL of compound to be tested in varying concentrations (e.g. starting at 10 uM, and diluted in steps of 1:5) in APT buffer (50 mM Tris/Cl pH7.5; 0.05% beta -mercaptoethanol; 10 mM Mg-acetate; 0.0166% Tween 20; 3.33% DMSO)    2. 15 uL His6-PDK1 (aa 52-556) 3.33 ng/well) and PDKtide (KTFCGTPEYLAPEVRRE PRILSEEEQEMFRDFDYIADWC), synthesised by Pepceuticals Limited, Nottingham, United Kingdom; 25 uM final concentration); His6-PDK1 and PDKtide are together diluted accordingly in assay buffer (50 mM tris pH 7.5, 0.05% beta -mercaptoethanol, 10 mM Mg-acetate); PDKtide is present in this mixture as an 83.3 uM solution.
6580	1	In Vitro Kinase Inhibitory Activity Assay	Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test compounds, biotinylated Flt3 substrate (biotin-DNEYFYV) (Cell Signalling Technology Inc.) and ATP. The reaction was allowed to proceed for 3 hours (FGFR3) or 2.5 hrs (PDGFR-beta) at room temperature on a plate shaker at 900 rpm before being stopped with 20 &#956;l of 35 mM EDTA, pH 8 (FGFR3) or 55 mM EDTA, pH 8 (PDGFR-beta). Twenty &#956;l of 5x detection mix (50 mM HEPES pH 7.5, 0.1% BSA, 2 nM Eu-anti-pY (PY20) (PerkinElmer) 15 nM SA-XL665 (Cisbio) for FGFR3 and 50 mM HEPES, pH 7.5, 0.5 M KF, 0.1% BSA, 11.34 nM Eu-anti-pY (PT66) (PerkinElmer), 94 nM SA-XL665 (Cisbio) for PDGFR-beta) was then added to each well and the plate sealed and incubated at room temperature for one hour on a plate shaker at 900 rpm. The plate was then read on a Packard Fusion plate reader in TRF mode.
6582	1	In Vitro Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37 ° C. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition.
6583	1	Time-Resolved Fluorescence Assay	The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inhibitory concentration IC50 (the concentration of the tested compound showing 50% inhibition of the enzyme activity) of each compound was determined by incubating several different concentrations of the tested compounds with a specific enzyme and substrate. EGFR kinase used in this assay is a human-derived recombinant protein (Cell signaling technology, #7908), which was reacted with peptide substrate and different concentrations of tested compounds in a buffer solution containing 60 mM HEPES (pH7.5), 5 mM MgCl2, 5 mM MnCl2, 3 &#956;M Na3VO4, 1.25 M DTT (1000×) and 20 &#956;M ATP at 25° C., for 45 minutes.
6586	1	Inhibition Assay	The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modified assay method described in Biochemical. Pharmacol. 48(6), 1219-1223 (1994).    (1) The active fraction of PDE 7 (phosphodiesterase VII) was obtained. That is, MOLT-4 (obtainable from ATCC as ATCC No. CRL-1582), which was cell line of human acute lymphoblastic lymphoma T cells, was incubated in RPMI1640 culture medium containing 10% fetal bovine serum to obtain 5x108 MOLT-4 cells. The cells were collected by centrifugation and suspended with 10 mL of buffer solution A [25 mM of tris-HCl, 5 mM of 2-mercaptoethnol, 2 mM of benzamidine, 2 mM of EDTA, 0.1 mM of 4-(2-aminoethyl)benzensulfonyl hydrochloride; pH 7.5], then homogenized by Polytron homogenizer. The homogenate were centrifuged under 25,000xG for 10 minutes at 4 C. The supernatant was separated and thus obtained supernatant was further centrifuged under 100,000xG for 60 minutes.
6586	2	Inhibition Assay	The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modified assay method described in Biochemical. Pharmacol. 48(6), 1219-1223 (1994). (1) The active fraction of PDE 4 (phosphodiesterase IV) was obtained. That is, the livers obtained from three Balb/c mice (male, 12 weeks: obtainable from CLEA Japan, Inc.) were suspended with 30 mL of buffer solution B [20 mM of bis-tris, 5 mM of 2-mercaptoethnol, 2 mM of benzamidine, 2 mM of EDTA, 0.1 mM of 4-(2-aminoethyl)benzensulfonyl hydrochloride, 50 mM of sodium acetate; pH 6.5], then homogenized by Polytron homogenizer. The homogenate were centrifuged under 25,000xG for 10 minutes at 4 C. The supernatant was separated and thus obtained supernatant was further centrifuged under 100,000xG for 60 minutes at 4 ° C., and then filtrated with 0.2 um filter to obtain the soluble fraction.
6587	1	Radioligand Binding Assay	Radioligand binding assays were performed in CHO cells expressing human CCR2B and Galpha ±16 coupling protein. All compounds were dissolved in DMSO and assays run at a final DMSO concentration of 0.5% (v/v). [125I]-labeled human MCP-1 was purchased from PerkinElmer. Unlabelled human MCP-1 was purchased from PeproTech.Compounds were serially diluted in DMSO before diluting into assay buffer (25 mM HEPES, pH 7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% BSA) with cryo preserved CHO cells expressing human CCR2B and the Galpha ±16 coupling protein (30x103/well) and [125I]-MCP-1 (50 pM). The reaction was incubated at room temperature for 90 minutes before transferring to GF/C filter membrane (PerkinElmer) pre-treated with 0.3% polyethyleneimine for 2 hours at 4 C. The filter membrane was washed six times with ice cold wash buffer (25 mM HEPES, pH 7.4, 5 mM MgCl2, 1 mM CaCl2, 500 mM NaCl, 0.01% (m/v) azide), dried, and sealed in a RLB sample bag (Agilent Technologies).
6589	1	Inhibition Assay	To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prior to these studies we showed that the nicotine analogs were quite metabolically stable in the presence of mouse or rat or human liver microsomes (i.e., T1/2>60 mins). That the nicotine analogs showed low or no inhibitory activity against other CYPs suggests that the inhibitors examined selectively inhibited CYP2A6. A typical incubation mixture (final volume 0.25 mL) contained 50 mM Tris or KPhos buffer (pH 7.5), 0.5 mM NADP+, 2.0 mM G6P, 1 U of G6P dehydrogenase and 0.6 mg DETAPAC and the inhibitor was added last to minimize interaction with the protein. After mixing on ice, the reaction was initiated by the addition of substrate and incubated at 37 ° C. with shaking in air. Organic extracts were analyzed by fluorescence (for fluorometric substrates) or injected onto a Hitachi L-7100 system equipped with a Hitachi L-7400 UV detector.
6590	1	Enzyme Inhibition Assay	DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37 C. The 30 ul assay solution contained 20 uM recombinant human DPP4 and 50 uM Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37 C. prior to start of the experiment. Test compounds were serially diluted (3-fold) in 100% DMSO to avoid solubility issues; working solutions in 3% DMSO were prepared using assay buffer. 101 each of enzyme and compound solutions were mixed and pre-incubated at 37 C. for 30 minutes.
6591	1	Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; either 0.2% BSA or 0.2% HSA; 0.01% CHAPS; 100 uM Na3VO4; 0.5 mM DTT) and 10% glycerol at -80 C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase.MethodThe test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM.
6592	1	AlphaScreen Competitive Assay	HSP90-binding activity was determined by an AlphaScreen competitive assay system. The purified HSP90 solution was diluted with a binding buffer (50 mM Tris-HCl (pH 7.5), 150 mM NaCl, 0.1% Triton-X 100, 1 mM DTT, 0.1% BSA) and added to a 384-well plate (#3673, Corning Inc.) containing test substances. After reaction at room temperature for 2 hours, biotinylated geldanamycin was added thereto at a concentration of 40 nM/well and further reacted for 1 hour. Detection mix (20 mM HEPES-KOH (pH 7.5), 0.5% BSA, 0.04 mg/mL Nickel Chelate Acceptor beads, 0.04 mg/mL Streptavidin-coated Donor beads) (#6760619C, PerkinElmer, Inc.) was added to each well in an amount equal to the amount of the reaction solution and reacted at room temperature for 1 hour in the dark. Then, fluorescence intensity was measured using Multilabel Plate Reader EnVision (PerkinElmer, Inc.).
6593	1	Inhibition Assay	The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were chilled to 4 C. Sf9 cells expressing human (His)6DGAT1 were thawed at RT and re-suspended at a 10:1 ratio (mL buffer/g of cells) in 50 mM HEPES, 1x Complete Protease Inhibitor, pH 7.5.The re-suspended pellet was homogenized for 1 min using a Brinkman PT 10/35 homogenizer with a 20 mm generator. Cells were lysed using Avestin Emulsiflex (chilled to 4 C.) at 10000-15000 psi. Lysate was centrifuged at 100,000x g for 1 h at 4 C. Supernatant was removed and pellets were re-suspended in 50 mM HEPES, 1x Complete Protease Inhibitor, pH 7.5 at 1/6 the volume of supernatant. Re-suspended pellets were pooled and homogenized with 10 strokes of a Glas-Col motor driven teflon pestle on setting 70. The protein concentration of the membrane preparation was quantified using BCA protein assay with 1% SDS.
6595	1	In Vitro Binding Assay	For IC50 mode, 10 mM compound stocks were serially diluted in DMSO with DMSO to give 20x required final concentration in DMSO (15 uL compound+30 uL DMSO). The 20x compound stocks were diluted in DMSO with Assay Buffer 4-fold to reach 5x the final test concentration in 25% DMSO (10 uL compound+30 uL Assay Buffer). Solutions were mixed by aspiration several times with a pipette set on 50 uL volume. For the assay, 10 uL of 5x compound stock solutions in 25% DMSO were added to the assay plate in duplicate.For two point screening, 10 mM stock compound solutions were diluted in DMSO to obtain 200 uM (20x the high test concentration) and then diluted 10-fold further to reach 20 uM (20x the low test concentration). The 20x stocks were diluted 4-fold with Assay Buffer (10 uL compound+30 uL Assay Buffer) to reach 5x the test concentrations (50 uM and 5 uM) and 10 uL were added to two assay plates for the duplicate wells.
6596	1	Binding Assay	For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kallidin (Des Arg10, Leu9), [3,4-Prolyl-3,4-3H(N)] (PerkinElmer, 1.85-4.44 TBq/mmol) to 40 &#956;g membrane protein containing approximately 1 fmol Bradykinin-1 receptor and incubated for 15 min at 27° C. To determine non-specific binding 10 &#956;M Lys-(Des-Arg9)-Bradykinin (Bachem) was added. Membranes were harvested through GF/B (glass fiber filter; PerkinElmer) plates, equilibrated with 0.5% polyethylenimine, air dried at 50° C. for 2 hr. Radioactivity was determined by counting in a topcounter (NXT Packard). Specific binding was defined as total binding minus nonspecific binding and typically represents about 90-95% of the total binding. Antagonist activity is expressed as Ki: inhibitor concentration required for 50% inhibition of specific binding corrected for the concentration of the radioligand.
6597	2	Reverse Mode Assay	The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loaded with the dye by means of the acetoxymethyl ester Fluo-4 AM (Invitrogen, F14202), which is cleaved intracellularly by esterase activity to yield the charged species of free Fluo-4. After an preincubation period with the test compound, Gramicidine (Sigma, G5002) was added. Gramicidine is an ionophor for Na+ions mediating an increase of intracellular Na+ions. Consequently, intracellular Na+ions are exchanged against extracellular Ca2+ions (Ca2+influx, reverse mode). The intracellular elevation of Ca2+ ions was detected by measuring the fluorescence of Fluo-4 at a wavelength of 520 nm by a FLIPR device.Briefly, for the reverse mode transport assay 18000 cells per well were seeded into a 96 well microplate (Corning COSTAR 3904) and incubated overnight in culture medium (1x Nut Mix F12 (Ham) (Gibco, 21765-029); 10% (v/v) fetal calf serum.
6598	1	Total SPA Assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H-Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 ul of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4 C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition.
6599	1	In Vitro Kinase Assay	In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell Signaling Technology Company. Operation steps refer to the specification of the used kits, and the method was used to measure the inhibition effects of the compound to be tested on substrate peptide phosphorylation of EGFR or Her2 receptor tyrosine kinase. At room temperature, ATP and substrate peptide as well as the compound to be tested were incubated in kinase reaction buffer, after a period of incubation, a stop buffer was added to terminate the reaction and the sample was transferred to a streptavidin-coated 96-well plate, the plate was washed and the phosphorylation level of substrate peptide was detected by using HRP-marked antibody against substrate phosphorylation, colorated with TMB, terminated the reaction with 2M sulfuric acid. Absorption at 450 nm wavelength was detected, and IC50 value (&#956;M) was calculated.
6600	1	Binding Assay	ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).
6601	1	Glycine Uptake Assay	[3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersham Biosciences) and cultured to sub-confluency for 24 h. For glycine uptake assays the culture medium was aspirated and the cells were washed once with 100 ul HBSS (Gibco BRL, #14025-050) with 5 mM L-Alanine (Merck #1007). 80 ul HBSS buffer were added, followed by 10 ul inhibitor or vehicle (10% DMSO) and 10 ul [3H]-glycine (TRK71, Amersham Biosciences) to a final concentration of 200 nM for initiation of glycine uptake. The plates were placed in a Wallac Microbeta (PerkinElmer) and continuously counted by solid phase scintillation spectrometry during up to 3 hours. Nonspecific uptake was determined in the presence of 10 uM Org2 4598. IC50 calculations were made by four-parametric logistic nonlinear regressi on analysis (GraphPad Prism).
6601	2	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.More specifically, [3H]-(R)-NPTS radioligand binding to human GlyT1c transporter-expressing membranes was measured in duplicate in a total volume of 200 ul in 96-well plates. To 100 ul of membrane suspension (yielding a final membrane protein concentration of 50 ug/ml) in assay buffer (120 mM NaCl, 2 mM KCl, 10 mM Hepes, 1 mM MgCl2, 1 mM CaCl2, pH 7.5) 80 ul of [3H]-(R)-NPTS (0.5 nM final) were added in assay buffer. For competition experiments 10 ul of buffer or unlabeled compound solution obtained from dilution series of test compounds in DMSO followed. An intermediate 1:10 dilution in assay buffer yielded a final DMSO concentration of 1%. Non-specific binding was determined in the presence of 10 uM Org24598 (or its racemate Org24461) for [3H]-(R)-NPTS.
6602	1	Binding Assay	The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pmol/mg protein). An assay can use a standard 96-well glass-fiber filter plate to retain radioligand bound by the receptor. Retained 3H can be determined in a TopCount scintillation plate counter following the addition of a liquid scintillant to each well. Compounds can be evaluated for their potency using competition curve analysis, resulting in calculated Ki values.
6603	1	Inhibition Assay	Using human p38 MAPK alpha , the p38 MAPK inhibitory activity of Compound (I) was studied by a method partially modified from the method described in Current Medicinal Chemistry (2004, No. 11, pp. 721-730).A solution of each test compound solution in 100% DMSO and a p38alpha /SAPK2a solution (Final Concentration: 1.5 nM) (Invitrogen) were added to a 384-well plate, and then the plate was incubated at room temperature in a dark place for 1 hour. Thereafter, ATP (Final Concentration: 100 uM), which is a phosphate donor, and biotinylated ATF2 (Final Concentration: 30 nM) (upstate), which is a substrate, were added, and the resulting mixture was allowed to react at room temperature in a dark place for 1 hour (the final concentration of DMSO was 0.25%). After the reaction, an anti-phosphorylated ATF2 antibody (Final Concentration: 1 nM) (Cell Signaling), anti-IgG acceptor beads (Final Concentration: 20 ug/mL) (PerkinElmer) and streptavidin donor beads.
6604	1	Kinase Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity.Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by P-counting.Reagents/Assay Conditionsi. Dowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 1x8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.
6604	2	Kinase Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity.Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by (3-counting.Reagents/Assay ConditionsDowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 1x8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.
6604	3	Kinase Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity.Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by (3-counting.Reagents/Assay ConditionsDowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 1x8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.
6605	1	Binding Assay	cDNA sequence encoding a mouse NPY Y5 receptor (Biochim. Biophys. Acta 1328:83-89, 1997) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Biol. 8, 8957). The obtained expression vector was transfected into CHO cells as a host by using Lipofect AMINE reagent (Trademark, Gico BRL Co., Ltd.) according to the instruction manual. The cells that stably express NPY Y5 receptor were obtained.The membranes prepared from the CHO cells expressing NPY Y5 receptor, the compound of this invention and 30,000 cpm [125I] peptide YY (60 pM of final concentration: Healthcare) were incubated in the assay buffer (20 mM HEPES-Hanks buffer containing 0.1% bovine serum albumin, pH 7.4) at 25 ° C. for 2 hours, and then the membrane was filtered from the mixture through a glass filter (GF/C) presoaked with 1% polyethyleneimine. After washing with 50 mM Tris-HCl buffer (pH 7.4), radioactivity retained on the filters was quantified with a gamma counter.
6605	2	Binding Assay	cDNA sequence encoding a human NPY Y5 receptor (WO96/16542) was cloned in a vector (pME18S, Takebe et al. Mol. Cell. Biol. 8, 466-472). The obtained expression vector was transfected into CHO cells as a host by using Lipofect AMINE reagent (Trademark, Inbitrogen) according to the instruction manual. The cells that stably express human NPY Y5 receptor were obtained.The membranes prepared from the CHO cells expressing human NPY Y5 receptor, the compound of this invention and 30,000 cpm [1251] peptide YY (60 pM of final concentration: Healthcare) were incubated in the assay buffer (20 mM HEPES-Hanks buffer containing 0.1% bovine serum albumin, pH 7.4) at 25 ° C. for 2 hours, and then the membrane was filtered from the mixture through a glassfilter (GF/C) presoaked with 1% polyethyleneimine. After washing with 50 mM Tris-HCl buffer (pH 7.4), radioactivity retained on the filters was quantified with a gamma counter.
6606	1	Radioligand Binding Assay	In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 uM. Test compounds (1 uL) and controls (1 uL) in 100% DMSO were added to 96 Greiner V-bottom polypropylene plates. 0% control was 6.7% DMSO (final concentration in assay) and 100% control was 6.7 uM Dexamethasone.The full length GR was diluted to a final concentration of 3.3% (0.495 mg/ml) in assay buffer (20 mM Tris-HCl, 1 mM EDTA, 10% (w/v) Glycerol, 20 mM Sodium molbydate, pH 7.4). 45 uL of GR was added to each well and the plates were incubated for 15 min at room temperature.3H-dexamethasone solution was diluted to a concentration of 70 nM in assay buffer (7 nM final assay concentration) and 5 uL was added to each well. The samples were mixed for 5 min using a plate shaker at 700 rpm, before incubation for 2 h at room temperature,50 uL ice-cold charcoal solution.
6607	1	Enzyme Assay	The inhibition constants for human plasmin (h plasmin), human plasma kallikrein (h PK), thrombin and factor Xa were determined in analogy to a previously disclosed method (St rzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)), using a microplate reader (Multiscan Ascent, Thermo Scientific) at 405 nm. The reactions to determine the inhibition of human plasmin and human plasma kallikrein were carried out at 25° C. in 200 &#956;l 50 mM Tris×HCl buffer pH 8.0 (containing 0.154 M NaCl, 2% ethanol and inhibitor in appropriate concentrations) and 25 &#956;l substrate solution. Reactions were started by addition of 50 &#956;l of enzyme solution.
6608	1	In-Vitro Inhibition Assay	Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasurio Yonetoky et. al Bio. & Med. Chem. 14 (2006) 4750-4760). Cells were centrifuged and re-suspended in equal volumes  f Ca2+ and Mg2+ free Hanks buffer and Fluo-8 NW dye (ABD Bioquest, Inc., Sunnyvale, Calif.) loading solution at 2x105 cells/100 ul/well in 96-well black plate. Plate is incubated at 37 C., 5% CO2 for 30 min followed by further 15 min incubation at room temperature. Test compounds (DMSO stocks diluted in Ca2+ and Mg2+ free Hanks buffer) at desired concentrations were added to the wells and incubated for 15 mM Thapsigargin (1 uM final concentration) was added to the wells and incubated for 15 min to inhibit the Sarco-endoplasmic reticulum Ca2+ ATPase pump thereby depleting endoplasmic calcium and raising cytosolic calcium concentrations.
6609	1	Kinase Assay	Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH 8.0, 10 mM MgCl2, 1 mM EGTA, 2 mM DTT). Reactions were incubated for 30 minutes at room temperature and stopped by the addition of cold trichloroacetic acid (TCA) to a final concentration of 15%. TCA precipitates were collected onto 384 well phosphocellulose filters (Millipore) using a Platemate to transfer the reaction mixture, washed on an EMBLA plate washer and the filters were quantitated using a TopCount 384-well liquid scintillation counter. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at six concentrations, each in triplicate. The final concentration of DMSO in the assay equaled 2%.
6610	1	Radioligand Binding Assay	Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a radioligand that binds to the methyl-5-(2-pyridinylethynyl)pyridine (MPEP) binding site was used in place of [3H]-MPEP. Briefly, after thawing, the membrane homogenates were resuspended in 50 mM Tris-HCl and 0.9% NaCl binding buffer at pH 7.4 to a final assay concentration of 20 ug is protein/well for radioligand filtration binding. Incubations included 5 nM radioligand, membranes and either buffer or varying concentrations of compound. Samples were incubated for 60 min at room temperature with shaking. Non-specific binding was defined with 10 uM cold MPEP when using the radioligand. After incubation, samples were filtered over a GF/C filter (presoaked in 0.25% polyethyleneimine (PEI)) and then washed 4 times using a Tomtec Harvester 96 Mach III cell harvester (Tomtec, Hamden, Conn.) with 0.5 mL ice-cold 50 mM Tris-HCl.
6610	2	Calcium Mobilization Assay	The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts from S. Nakanishi (Kyoto University, Kyoto, Japan). The rmGluR5 or rmGluR5 was stably expressed in a HEK 293 cell line and grown in Dulbecco's Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Calif.) with supplements (10% bovine calf serum, 4 mM glutamine, 100 units/mL penicillin, 100 ug/mL streptomycin and 0.75 mM G1418) at 37 C., 5% CO2. Twenty-four hours prior to assay, cells were seeded into 384-well black wall microtiter plates coated with poly-D-lysine. Just prior to assay, media was aspirated and cells dye-loaded (25 uL/well) with 3 uM Fluo-4/0.01% pluronic acid in assay buffer (Hank's Balanced Saline Solution (HBSS)): 150 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, plus 20 mM N-2-Hydroxyethylpiperazine-N'-2-ethanesulfonic acid (HEPES), pH 7.4, 0.1% bovine serum albumin (BSA) and 2.5 mM probenicid).
6611	1	pH-Based Assay	Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Becton-Dickinson) at 75,000 cells/well in growth media containing 5 uM PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 (wash buffer), and loaded using 0.1 mL of wash buffer containing Fluo-4 (3 uM final concentration, commercially available from Molecular Probes). After 1 h, the cells are washed twice with 0.2 mL wash buffer and resuspended in 0.05 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 3.5 mM CaCl2 and 10 mM Citrate, pH 7.4 (assay buffer). Plates are then transferred to a FLIPR for assay. The test compound is diluted in assay buffer.
6611	2	Capsaicin-Based Assay	Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth media containing 5 uM PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4, and cells are loaded using 0.1 mL of wash buffer containing Fluo-4 (3uM final). After one hour, the cells are washed twice with 0.2 mL of wash buffer and resuspended in 0.1 mL of wash buffer. The plates are transferred to a FLIPR for assay. 50 uL of test compound diluted with assay buffer (1x Hank's Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) are added to the cell plates and incubated for 2 min. The final concentration of the compound is adjusted to range from about 50 picoM to about 3 uM.
6612	1	Inhibition Assay	To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosphatidylcholine/phosphatidylinositol 3:1 w/v) are mixed, dried with N2 and then taken up in 2 ml of 0.1 M KPi (pH 7.0) by ultrasound treatment (Branson 250, microtip, setting 1-2, 2x1 min with an interval of 1 min). After addition of 1 ml of KPi and renewed ultrasound treatment (4x30 sec on ice with intervals of 30 sec), 1 ml of 20% BSA (in KPi) is added (final concentration of trioleoylglycerol 1.7 mM). For the reaction, 100 ul of substrate solution are pipetted into 100 ul of HSL solution (HSL prepared as above, diluted in 20 mM KPi, pH 7.0, 1 mM EDTA, 1 mM DTT, 0.02% BSA, 20 ug/ml pepstatin, 10 ug/ml leupeptin) and incubated at 37 C. for 30 min. Addition of 3.25 ml of methanol/chloroform/heptane (10:9:7) and of 1.05 ml of 0.1 M K2CO3, 0.1 M boric acid (pH 10.5) is followed by thorough mixing.
6612	2	Inhibition Assay	The phospholipase-specific substrate 1,2-bis(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-undecanoyl)-sn-glycero-3-phosphocholine, (manufacturer Molecular Probes) is used to characterize the enzymatic activity of endothelial lipase and the effect of inhibitors. Hydrolysis of the A1 ester linkage of this phospholipid by the enzyme liberates the fluorescent dye Bodipy which can be detected after separation by thin-layer chromatography on an HPTLC plate (silica gel 60, Merck) or directly in the reaction vessel by measuring the fluorescence.The substrate solution is prepared by taking up 100 ug of 1,2-bis(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-undecanoyl)-sn-glycero-3-phospho-choline (manufacturer Molecular Probes), 2.4 mg of tripalmitin (Sigma) and 7.9 mg of DOP choline (1,2-dioleoyi-sn-glycero-3-phosphocholine) in 393 ul of chloroform and then transferring 157 ul into a fresh reaction vessel.
6614	1	Radioligand Binding Assay	liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.
6615	1	Radioligand Binding	The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=25-35 Ci/mmol) was obtained from Tocris. The binding of [3H]MLA was determined using a 2 h incubation at 21 C. Incubations were conducted in 48-well micro-titre plates and contained about 200 g of protein per well in a final incubation volume of 300 uL. The incubation buffer was PBS and the final concentration of [3H]MLA was 5 nM. The binding reaction was terminated by filtration of the protein containing bound ligand onto glass fiber filters (GF/B, Brandel) using a Brandel Tissue Harvester at room temperature. Filters were soaked in de-ionized water containing 0.33% polyethyleneimine to reduce non-specific binding. Each filter was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells.
6616	1	Inhibition Assay	For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RPMI medium 1640 containing 10% fetal bovine serum. The cells were used 1 day after plating. They were incubated in pretreatment buffer (10 mM HEPES, 5 mM Tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, and 1 mM MgCl2, pH 7.4) at 37 C. for 10 min. They were then incubated in uptake buffer (10 mM HEPES, 5 mM Tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mM 14C-nonlabeled AMG pH 7.4) containing 14C-labeled AMG (8 uM) and the inventive compound or dimethyl sulfoxide (DMSO) vehicle at 37 C. for 2 h. Cells were washed twice with washing buffer (pretreatment buffer containing 10 mM AMG at room temperature) and then the radioactivity was measured using a liquid scintillation counter. IC50 was determined by nonlinear regression analysis using GraphPad PRISM [Katsuno, K. et al. J. Pharmacol. Exp. Ther. 2007, 320, 323-330].
6617	1	In Vitro HPLC Assay	This assay was used to determine the inhibiting effect of the inhibitors in a concentration of 1 mM. A standard incubation mixture consisted of 75 &#956;l of 50 mM potassium phosphate buffer pH 7.4 and contained NMMA in a concentration of 200 &#956;M. The inhibitors were used in final concentrations of 1 mM. By adding 2 &#956;g of hDDAH-1, the reaction was started and the samples were incubated for 30 minutes at 37° C. in, a shaking water bath. The reaction was then stopped by adding 75 &#956;l of acetonitrile, the samples were shaken for 5&#8242; minutes and centrifuged (12,000 g, 5 min). The supernatant was added to the HPLC.
6618	1	BIOMOL Fluorescent-Based HDAC Assay	The BIOMOL fluorescent-based HDAC activity assay has been applied in In vitro HDACi assay for determination of IC50 values of the compounds of this invention. The assay has been carried out in white 96 well formats according to the BIOMOL's method. In order to optimize the experiment conditions and optinal, the exact concentration range of the Deacetylated Standard (biomol, KI-142) that will vary depending on the flurimeter model, the gain setting and the exact excitation and emission wavelengths used. We recommend diluting some of the standard to a relatively low concentration with Assay Buffer (an appropriate series of Deacetylated Standard dilutions from 20 uM to 0.3125 uM), and Assay Buffer as a time zero to a set of wells on the microtiter plate. Experimental to samples (five dilute groups: 100 uM, 20 uM, 4 uM, 0.8 uM, 0.16 uM) should be compared to a time zero.
6619	1	Binding Assay	MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-1640 (RPMI: Roswell Park Memorial Institute Medium-cell culture growth media) supplemented with 10% fetal bovine serum in a humidified 5% CO2 atmosphere at 37 C. The cell density was maintained between 0.5x106 cells/mL.THP-1 (cells were incubated with 0.5 nM 125I labeled MCP-1 (Perkin-Elmer Life Sciences, Inc. Boston, Mass.) in the presence of varying concentrations of either unlabeled MCP-1 (R & D Systems, Minneapolis, Minn.) or test compound for 2 hours at 30 C. in a 96 well plate. Cells were then harvested onto a filter plate, dried, and 20 uL of Microscint 20 was added to each well. Plates were counted in a TopCount NXT, Microplate Scintillation & Luminescence Counter (Perkin-Elmer Life Sciences, Inc. Boston, Mass.).
6620	1	Inhibition Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production was determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. 
6621	1	Inhibitor Assay	For inhibitor assays, IC50 was determined, in the presence of 1 mM NAD and 4 mM ATP (for LmNADK1) or 2 mM ATP (for SaNADK). Dixon plots were used to determine KI in the presence of 4 mM ATP (for LmNADK11) or 2 mM ATP (for Sa NADK) and three NAD concentrations (0.2, 0.5 and 1 mM). It was also checked that the inhibitors had no effect on the coupling enzyme activity.
6622	1	Binding Assay	Fibronectin was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates (Nalge Nunc Europe Ltd) over night at 4 C. After discarding the coating solution plates were washed 3 times with buffer 1 (25 mM Tris, pH 7.6, 150 mM NaCl, 1 mM MnCl2, 1 mg/ml BSA) and blocked with 100 uL blocking buffer (3% BSA in PBS 0.1% Tween20) for 1 hour at room temperature. After washing the blocked plates (3 times) with buffer 1, integrin (50 uL) and either inhibitor (serial dilution in buffer 1) or buffer 1 (50 uL) were added to the wells and incubated for one hour at RT. Plates were then washed (3 times) with buffer 1 and incubated with 100 uL of anti-human-Fc-HRP antibody conjugate (Sigma-Aldrich, Taufkirchen, Germany) in buffer 1 for 1 hour at RT. After additional washing steps (3 times) with buffer 150 uL of HRP substrate solution TMB (Seramun, Germany) were added to the wells.
6622	2	Binding Assay	Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night at 4 C. After discarding the coating solution plates were washed 3 times with buffer 1 (25 mM Tris, pH 7.6, 150 mM NaCl, 1 mM MnCl2, 1 mg/ml BSA) and blocked with 100 uL blocking buffer (3% BSA in PBS 0.1% Tween20) for 1 hour at room temperature. After washing the blocked plates (3 times) with buffer 1, integrin alphaIIbbeta3 (50 uL) and either inhibitor (serial dilution in buffer 3, 25 mM Tris, pH 7.6, 150 mM NaCl, 1 mM MnCl2, 1 mg/ml BSA 1 mM MgCl2, 1 mM CaCl2,) or buffer 3 (50 uL) were added to the wells and incubated for one hour at RT. Plates were then washed (3 times) with buffer 3 and incubated with 100 uL of anti-alphaIIbbeta3 antibody (anti CD41b, Pharmingen) in buffer 3 for 1 hour at RT. Plates were washed (3 times) with buffer 3 and incubated for 1 hour with 100 uL secondary antibody.
6623	1	Enzyme Inhibition Assay	A reaction was performed on a 384-well plate (Greiner Bio One) using a reaction volume of 24 µL, and all the samples were diluted with an assay buffer (50 mM tris buffer, pH 7.4, 10% glycerol). 0.8 mM NADPH, 6 mM glucose 6-phosphate, 0.35 units/mL glucose 6-phosphate dehydrogenase (Sigma Chemical), and 3 mM magnesium chloride and a microsome fraction as an enzyme source were added to the plate, and a solution containing a test compound dissolved in a dimethyl sulfoxide/methanol solution was added at a final concentration of 0.1%. After the addition of the test compound, cortisone at a final concentration of 160 nM was added to start the reaction, and the reaction was performed at room temperature for 3 h. 25 µL of 100 mM carbenoxolone (Sigma Chemical) was added to terminate the reaction, and the amount of cortisol produced was measured with RUBYstar (BMG LABTECH JAPAN Ltd.) using a cortisol prototype kit (Cisbio International) according to the package insert.
6624	1	Scintillation Proximity Assay	The inhibition of a microsomal preparation of 11beta -HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format. Assay Drug Dev Technol 3 (2005) 377-384). All reactions were carried out at rt in 96 well clear flexible PET Microbeta plates (PerkinElmer). The assay begins by dispensing 49 ul of substrate solution (50 mM HEPES, pH 7.4, 100 mM KCl, 5 mM NaCl, 2 mM MgCl2, 2 mM NADPH and 160 nM [3H]cortisone (1 Ci/mmol)) and mixing in 1 uL of the test compounds in DMSO previously diluted in half-log increments (8 points) starting at 0.1 mM. After a 10 minute pre-incubation, 50 uL of enzyme solution containing microsomes isolated from CHO cells overexpressing human 11beta -HSD1 (10-20 ug/ml of total protein) was added.
6625	1	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen) are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L) and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) are then added to the enzymes/compound mixtures and the whole is incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
6625	2	Enzyme Inhibition Assay	The inhibitory activities of the compound of the invention against c-Src and Syk enzymes (Invitrogen) are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L) and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
6625	3	Enzyme Inhibition Assay	Method 1: The inhibitory activities of the compound of the invention against the GSK 3alpha enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-alpha protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3alpha , and ATP (40 uM, 2.5 uL) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). Method 2: This method follows the same steps as Method 1 above, but utilises a shorter period of mixing of the test compound (105 minutes instead of 2 hours) with the GSK3-alpha protein.
6626	1	SPA Assay	The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptor. Test compounds are re-suspended and serially diluted in 100% DMSO. 1 ul of test compound at the desired concentrations is spotted into the appropriate wells of 96 well low binding white clear bottom plate (Corning). 1 ul of DMSO is spotted into total binding wells. 1 ul of a known glucagon antagonist at a concentration of 20 uM is added to non specific binding wells. 0.3-0.75 ug of membrane from chem-1 cells stably transfected with the human glucagon receptor (Millipore), 125 pM of [125I]Glucagon-Cex (Perkin Elmer) and 175 ug of WGA PVT SPA beads (Perkin Elmer) are added to all wells of the assay plate. All assay ingredients with the exception of test compounds are re-suspended in the following buffer; 50 mM Hepes pH 7.4; 5 mM MgCl2; 1 mM CaCl; 5% glycerol and 0.2% BSA.
6627	1	In Vitro Enzyme Assay	The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the literature. (See, e.g., example 51 of the aforementioned incorporated '790 patent and the references cited therein.) The hemoglobin capture was used to measure nitric oxide production. (See, Hevel, J. M. and Marietta, M. A. Nitric Oxide Synthase Assays. Methods Enzymol. 1994, 133, 250-258.) Briefly, the assay was run at 37 C. in 100 mM HEPES buffer (10% glycerol; pH 7.4) in the presence of 10 uM L-arginine. The following NOS cofactors were also included in the assay: 100 uM NADPH, 10 uM tetrahydrobiopterin, 1 mM CaCl2, 11.6 ug/mL calmodulin and 3.0 uM oxyhemoglobin. For iNOS, calmodulin and CaCl2 were omitted. The assay was run in a high throughput manner, using the Synergry 4 by BioTek, at the Northwestern University HighThroughput Analysis Facility.
6628	1	Enzyme Assay	For characterization of the enzymatic activity of endothelial lipase and the effect of inhibitors, the phospholipase-specific substrate 1,2-bis(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-undecanoyl)-sn-glycero-3-phosphocholine (manufacturer: Molecular Probes) was used. Hydrolysis of the A1 ester bond of this phospholipid by the enzyme releases the fluorescent dye Bodipy, which can be detected by measuring the fluorescence after separation by thin-layer chromatography on an HPTLC plate (silica gel 60, Merck) or directly in the reaction vessel. To prepare the substrate solution, 100 ug of 1,2-bis(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-undecanoyl)-sn-glycero-3-phosphocholine (manufacturer: Molecular Probes) were dissolved in 100 ul of DMSO and taken up in 2.4 mg of tripalmitin (Sigma) in 393 ul of chloroform which contained 20 mg/ml DOPcholine (1,2-dioleoyl-sn-glycero-3-phosphocholine).
6629	1	Fluorescence-Based Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human &#946;-hexosaminidase enzyme used in the reaction was 24 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve.
6630	1	Inhibition Assay	The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is equal to 1 mg/10 mL. A 10 &#956;L sample of this solution is then added to 990 &#956;L of pH 8 buffer (0.1 M HEPES, 0.14 M NaCl), and the solution is allowed to stand at room temperature overnight.The enzyme solution is prepared by diluting 20 &#956;L of DPIV (concentration 2.5 nM) into 40 mL of pH 8 buffer.The substrate solution is prepared by dissolving 2.0 mg of L-alanyl-L-proline-para-nitroanilide into 20 mL of pH 8 buffer.250 &#956;L of enzyme solution is added to well #B1 to #H1, #A2 to #H2, and #A3 to #H3 of a 96 well plate, while well #A1 receives 250 &#956;L of pH 8 buffer instead of enzyme solution. 904 of pH 8 buffer is then added to column 5 (from well #A5 to #H5).
6632	1	Inhibition Spectra Assay	Formation of kynurenic acid (KYNA) is indirectly assessed by a decrease in light absorbance at 370 nm (OD370) as the L-kynurenine (KYN) substrate is converted by the human KAT II (hKAT II) enzyme into KYNA. An inhibitor would therefore inhibit the decrease in OD370.The protocol was performed by placing the following reagents into a Costar 384 well black plate (30 uL total assay volume/well):        10 uL of 3x concentrated compound;        10 uL of 3x concentrated substrate mix (BGG (Sigma G-5009); 3 mM L-Kynurenine in 150 mM Tris Acetate (Sigma K3750); 3 mM alpha-ketoglutaric acid in 150 mM Tris Acetate (Sigma K2010); and 210 uM pyridoxal 5-phosphate (PLP) in 150 mM Tris Acetate (Sigma 9255)); and        10 uL of 3x concentrated enzyme (15 nM enzyme in 150 mM Tris Acetate with 0.3% bovine serum).Plates were sealed and incubated at 37 C. for 15-20 h before reading OD370 on a SpectraMax Plus plate reader.
6633	1	In Vitro Binding Assay	hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing human EP1 (Genbank accession number AY275470) or EP4 (Genbank accession number AY429109) receptors. hEP2 and hEP3 membranes are prepared from HEK293 cells transiently transfected with EP2 (Genbank accession number AY275471) or EP3 (isoform VI: Genbank accession number AY429108) receptor plasmids. Frozen cell pellets are homogenized in homogenization buffer using a Teflon/glass homogenizer. Membrane protein is aliquoted and quick frozen on dry ice prior to storage at -80 C. Homogenization buffer contained 10 mM Tris-HCl, pH 7.4, 250 mM sucrose, 1 mM EDTA, 0.3 mM indomethacin and plus Complete, with EDTA, obtained from Roche Molecular Biochemicals (Catalog Number 1 697 498). Kd values for [3H]-PGE2 binding to each receptor are determined by saturation binding studies or homologous competition. Compounds are tested in a 96-well format using a three-fold dilution series to generate a 10-point curve.
6634	1	ADP-Glo Kinase Assay	In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR1 protein is measured.To each well of a flat bottom 96 well white plate (Sumitomo Bakelite Co., Ltd., MS-8496W), 10 ul of FGFR1 protein (Cama Biosciences, Inc., 08-133) solution diluted to 1 ug/mL with an assay buffer (20 mM HEPES NaOH, 0.01% Triton X-100, 2 mM DTT, and 5 mM MgCl2), 10 ul, of an assay buffer solution containing CSK-tide substrate (Ana Spec Inc., 63843) in a final concentration of 1000 nM and ATP (Promega Corporation, V9102) in a final concentration of 58.3 uM, and 5 ul of a test substance diluted with the assay buffer were added, and the reaction was performed at room temperature for 1 hour (kinase reaction). For measuring kinase activity, ADP-Glo Kinase Assay (Promega Corporation, V9102) was used. After the reaction, 25 uL of ADP-Glo reagent was added to each well of the plate, and the reaction was performed at morn temperature for 40 minutes.
6634	2	ADP-Glo Kinase Assay	In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR2 protein is measured.To each well of a flat bottom 96 well white plate (Sumitomo Bakelite Co., Ltd., MS-8496W), 10 ul of FGFR2 protein (Cama Biosciences, Inc., 08434) solution diluted to 1 ug/mL with an assay buffer (20 mM HEPES-NaOH, 0.01% Triton X-100, 2 mM DTT, and 5 mM MgCl2), 10 uL of an assay buffer solution containing CSK-tide substrate (Ana Spec Inc., 63843) in a final concentration of 1000 nM and ATP (Promega Corporation, V9102) in a final concentration of 35 uM, and 5 ul of a test substance diluted with the assay buffer were added, and the reaction was performed at room temperature for 1 hour (kinase reaction). For measuring kinase activity, ADP-Glo Kinase Assay (Promega Corporation, V9102) was used. After the reaction, 25 uL of ADP-Glo reagent was added to each well of the plate, and the reaction was performed at room temperature for 40 minutes.
6634	3	ADP-Glo Kinase Assay	In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR3 protein is measured.To each well of a flat bottom 96 well white plate (Sumitomo Bakelite Co., Ltd., MS-8496W), 10 ul of FGFR3 protein (Cama Biosciences, Inc., 08-135) solution diluted to 1 ug/mL with an assay buffer (20 mM HEPES NaOH, 0.01% Triton X-100, 2 mM DTT, and 5 mM MgCl2), 10 uL of an assay buffer solution containing CSK-tide substrate (Ana Spec Inc., 63843) in a final concentration 011000 nM and ATP (Promega Corporation, V9102) in a final concentration of 16.7 uM, and 5 ul of a test substance diluted with the assay buffer were added, and the reaction was performed at room temperature for 2 hours (kinase reaction). For measuring kinase activity, ADP-Glo Kinase Assay (Promega Corporation, V9102) was used. After the reaction, 25 pt of ADP-Glo reagent was added to each well of the plate, and the reaction was performed at room temperature for 40 minutes.
6634	4	ADP-Glo Kinase Assay	In this assay, the inhibitory activity of a test substance against the tyrosine kinase activity of FGFR4 protein is measured.To each well of a flat bottom 96 well white plate (Sumitomo Bakelite Co., Ltd., MS-8496W), 10 ul FGFR4 protein (Carna Biosciences, Inc., 08-136) solution diluted to 1 ug/mL with an assay buffer (20 mM HEPES-NaOH, 0.01% Triton X-100, 2 mM DTT, 5 mM MgCl2 and 2 mM MnCl2), 10 uL of an assay buffer solution containing CSK-tide substrate (Ana Spec Inc., 63843) in a final concentration of 1000 nM and ATP (Promega Corporation, V9102) in a final concentration of 75 uM, and 5 ul of a test substance diluted with the assay buffer were added and the reaction was performed at room temperature for 2 hours (kinase reaction). For measuring kinase activity, ADP-Glo Kinase Assay (Promega Corporation, V9102) was used.
6635	1	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318).
6636	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter.
6639	1	Binding Assay	Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the ability to displace 3H-progesterone as reference substance from the receptor. If a compound has an affinity corresponding to progesterone, this corresponds to a competition factor (CF) of 1. CF values greater than 1 are characterized by a lower affinity for the progesterone receptor, and CF values of less than 1 are characterized by higher affinity.
6639	2	Binding Assay	The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the reference substance was 3H-testosterone.The results of the binding tests and the ratio of the competition factors CF(PR) and CR(MR) are shown in Table 1, which for comparison also shows receptor binding values of drospirenone as reference substance A.
6641	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Counter.
6642	1	FLIPR Assay	The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is compared with the control (capsaicin 10 uM). This provides the result in % activation based on the Ca2+ signal after the addition of 10 uM of capsaicin (CP). After 5 minutes' incubation, 100 nM of capsaicin are applied and the Ca2+ influx is also determined.Desensitising agonists and antagonists lead to suppression of the Ca2+ influx. The % inhibition is calculated compared to the maximum achievable inhibition with 10 uM of capsazepine.Triple analyses (n=3) are carried out and repeated in at least 3 independent experiments (N=4).Starting from the percentage displacement caused by different concentrations of the compounds to be tested of general formula I, IC50 inhibitory concentrations which cause a 50-percent displacement of capsaicin were calculated.
6643	1	Radioactive Kinase Assay	The ATP-KM value of the complex is 61 uM. The kinase assays are run in the presence of 100 uM ATP using 10 uM of a substrate peptide. pAUB-IN847 was used to transform the E. coli strain BL21 (DE3) containing the pUBS520 helper plasmid. Both proteins and their mutants are expressed and purified under essentially identical conditions. Protein expression is induced with 0.3 mM IPTG at an OD6oo of 0.45-0.7. Expression is then continued for about 12-16 hours at 23-25 C with agitation. Bacterial cells are harvested by centrifugation at 4000 rpm x 15 min in a Beckman JLA 8.1 rotor, and the pellets resuspended in lysis buffer (50 mM Tris HCI pH 7.6, 300 mM NaCI, 1 mM DTT, 1 mM EDTA, 5 % glycerol, Roche Complete protease inhibitor tablets). 20-30 ml lysis buffer are used per liter of E. coli culture. Cells are lysed by sonication, and the lysates cleared by centrifugation at 12000 rpm for 45-60 min on a JA20 rotor.
6644	1	Fluorescence Polarization Assay	A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR (SEQ ID NO:1)) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified by HPLC. For competitive binding assays, 100 nM GST-BCL-XL DTM protein was preincubated with the tested compound at varying concentrations in 47.5 uL PBS (pH=7.4) in 96-well black plates at room temperature for 10 min, then 2.5 uL of 100 nM FITC-labeled Bak BH3 peptide was added to produce a final volume of 50 uL. The wild-type and mutant Bak BH3 peptides were included in each assay plate as positive and negative controls, respectively. After 30 min incubation at room temperature, the polarization values in millipolarization units were measured at excitation/emission wavelengths of 480/535 nm with a multilabel plate reader (PerkinElmer). IC50 was determined by fitting the experimental data to a sigmoidal dose-response nonlinear regression model.
6644	3	ITC Assay	The synthesized compounds of Formula I may be screened by one-dimensional 1H nuclear magnetic resonance spectroscopy (1D-1H NMR) binding assays against Bcl-XL. Active compounds in 1D-1H NMR binding assays are then selected and evaluated in the Isothermal Titration Calorimetry assays (ITC), cell viability assays and competitive fluorescence polarization assays (FPA). A group of compounds of Formula I display high binding affinity for Bcl-XL in these assays. The most potent compounds induce significant chemical shift changes in the active site methyl groups (region between 0.38 and 0.42 ppm) in the one-dimensional 1H-NMR spectra of Bcl-XL and also have an IC50 value in the FP displacement assays, which is more effective than Apogossypol. To confirm results of the NMR binding data and the FP assays, binding affinity of the compounds of Formula I for Bcl-XL using ITC assay were tested.
6645	1	Enzyme Inhibition Assay	Enzyme activity was determined by monitoring the quantity of sialylated disaccharide product produced over time at 348 nm by RP-HPLC (Supelco Discovery HS C18, 5 um, 4.6 mmx25 cm). Retention time of the product was 20.38 minutes.The described sixteen synthetic analogues showed decreased IC50 s compared to lithocholic acid (Table 1). The terminal alcohol 7 and its derivative 8 displayed a 5 to 17-fold decrease over lithocholic acid, suggesting that a carboxylic acid group is important for promoting, affinity. This was further confirmed by using peptide coupling to extend the terminal carboxylic acid; the inhibitor), properties of compounds 9 and 10 can be restored completely compared to those of 7-8. To determine the importance of the 3-hydroxyl position of lithocholic acid, the inhibition of alpha -2,3-ST activity by compound 11, which has a ketone moiety in place of a hydroxyl group, was evaluated.
6646	1	Kinase Assay	The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in the art. For example, in vitro protein kinase assays may be conducted with a relevant purified protein kinase and an appropriate synthetic substrate to determine the inhibitory activity of the compounds. Assays for inhibition of CK2 by the instant compounds were performed in 384-well plates with reaction mixtures containing 10 uM of peptide substrate (RRRADDSDDDDD-NH2), [gamma-33P]ATP (10 uCi) at 25 uM (CK2A1) or 5 uM (CK2A2), 20 mM Hepes (pH 7.4), 100 mM NaCl, 10 mM MgCl2, 0.25 mM dithiothreitol, Brij-35 at 0.015%, and recombinant CK2A1 (10 nM, Invitrogen) or CK2A2 (5 nM, Upstate Biotechnology). Reaction mixtures were incubated at 30 C. for 1 hour, and reaction products were captured by binding to phosphocellulose (P81) filter plates.
6647	1	Inhibition Assay	A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM beta-mercaptoethanol, 0.02% Tween 20, 10% glycerol, 12 ug/ml P-GS1, 41.7 uM [gamma-32P] ATP (68 kBq/ml), bovine cerebral TPK1 and a compound shown in Table (a final mixture contained 1.7% DMSO deriving from a solution of a test compound prepared in the presence of 10% DMSO) was used as a reaction system. The phosphorylation was started by adding ATP, and the reaction was conducted at 25 C. for 2 hours, and then stopped by adding 21% perchloric acid on ice cooling. The reaction mixture was centrifuged at 12,000 rpm for 5 minutes and adsorbed on P81 paper (Whatmann), and then the paper was washed four times with 75 mM phosphoric acid, three times with water and once with acetone. The paper was dried, and the residual radioactivity was measured using a liquid scintillation counter. The results are shown in the table below.
6648	2	Ambit KinomeScan Assay	This assay is an ATP-site dependent competition binding assay in which human kinases of interest are fused to a proprietary tag (T7 bacteriophage). The amount of kinase bound to an immobilized, active-site directed ligand is measured in the presence and absence of the test compound. Ambit&#39;s JAK assays use kinase domains and not full-length proteins. The domain used for JAK1 binding is the pseudo kinase domain while that for JAK3 binding is the catalytic domain (Mazen W Karaman, Sanna Herrgard, Daniel K Treiber, et. al. A Quantitative analysis of kinase inhibitor selectivity. Nature Biotechnology, 2008, Volume 26, No. 1, Page 127-132).
6648	1	Time-Resolved Fluorescence Resonance Energy Transfer Assay (TR-FRET)	SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). LANCE refers to homogeneous time resolved fluorometry applications using techniques such as time-resolved fluorescence resonance energy transfer assay (TR-FRET) (see generally for procedures in Perkin Elmer Application Note How to Optimize a Tyrosine Kinase Assay Using Time Resolved Fluorescence-Based LANCE Detection, wwww.perkinelmer.com/lifesciences). The assay principle involves detection of a phosphorylated substrate using energy transfer from a phosphospecific europium-labeled antibody to streptavidin-allophycocyanin as an acceptor.To test the ability of candidate molecules to inhibit SYK tyrosine phosphorylation activity, molecules are reconstituted in 30% DMSO and serially diluted 1:3 with the final dilution containing DMSO in the absence of the candidate molecule. The final DMSO concentration in the assay is 3%.
6650	1	Inhibition Assay	This assay was performed in a 200 l volume in 96-well microtiter plates using cDNA-expressed human hepatic CYP3A4 (supersome, BD Gentest #456202). As a substrate for CYP3A4, 7-benzyloxy-4-trifluoromethyl-coumarin (BFC) was used. The compounds of Examples 1 to 5 and the substrate BFC were dissolved in 100% acetonitrile. The final volume of acetonitrile of the incubation mixture was less than 1% (volume/volume). A potassium phosphate buffer (pH 7.4, final concentration 0.1M), MgCl2 (final concentration 8.3 mM), EDTA (final concentration 1.67 mM), an inventive compound stock solution, CYP3A4 supersome, and NADPH (final concentration 0.25 mM) were added to each well. The reaction was initiated by adding the substrate (BFC, final concentration 30 M) at 37. The incubation was performed for 20 minutes and then the reaction was terminated by the addition of 75 ul of acetonitrile: 0.5 M tris-base=4:1 (volume/volume).Then, a fluorescent signal was measured using a fluorometer.
6651	1	Caliper-Based Kinase Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant Btk (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000).
6652	1	Homogeneous Time-Resolved FRET Assay	The protocol that was used to determine the recited values isdescribed as follows.BACE1 HTRF FRET AssayReagentsNa+-Acetate pH 5.01% Brij-35GlycerolDimethyl Sulfoxide (DMSO)Recombinant human soluble BACE1 catalytic domain (>95% pure)APP Swedish mutant peptide substrate (QSY7-APPswe-Eu):QSY7-EISEVNLDAEFC-Europium-amideA homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contained an N-terminal QSY7 moiety that served as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence was low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme.
6652	2	HTRF assay	Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1xBACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO were pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1xBACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30 C. The assay was initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30 C.
6654	1	HTRF Assay	An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of substrate. Assays were assembled in 384 well plates where 6 nM of full-length human His-tagged BTK (Life Technologies cat #PV3587) and test compound at varying concentrations were preincubated for 15 minutes at 28 ° C. Then, 1 uM of TK substrate-biotin and 30 uM ATP were added and incubated for an additional 30 minutes at 28 ° C. Phospohrylation was detected by adding 62.5 nM Streptavidin-XL665 and TK-Antibody Cryptate diluted 1:100 in HTRF detection buffer (Cisbio cat #62SDBRDF) and incubated for 60 minutes at RT. The plate was read on an Envision plate reader and the fluoresence is measured at 620 nm (cryptate) and 665 nm (XL665). A ratio is calculated (665/620) and converted to POC relative to control and blank wells.Assay Buffer:50 mM HEPES (Invitrogen #15630), 0.01% Brij-35 (sigma #B4184), 10 mM MgC12 (Sigma M1028), 1 mM EGTA.
6655	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfer (or Foerster resonance energy transfer) describes an energy transfer between donor and acceptor fluorescent molecules. For this assay, human MDM2 protein (amino acids 2-188) and human MDM4 protein (amino acids 2-185), tagged with a C-terminal biotin moiety, are used in combination with a Europium labeled streptavidin (Perkin Elmer, Inc., Waltham, MA, USA) serving as the donor fluorophore. The p53 derived, Cy5 labeled peptide Cy5-TFSDLWKLL (p53 aa18-26) is the energy acceptor. Upon excitation of the donor molecule at 340nm, binding interaction between MDM2 or MDM4 and the p53 peptide induces energy transfer and enhanced response at the acceptor emission wavelength at 665 nm.
6655	2	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfer (or Foerster resonance energy transfer) describes an energy transfer between donor and acceptor fluorescent molecules. For this assay, human MDM2 protein (amino acids 2-188) and human MDM4 protein (amino acids 2-185), tagged with a C-terminal biotin moiety, are used in combination with a Europium labeled streptavidin (Perkin Elmer, Inc., Waltham, MA, USA) serving as the donor fluorophore. The p53 derived, Cy5 labeled peptide Cy5-TFSDLWKLL (p53 aa18-26) is the energy acceptor. Upon excitation of the donor molecule at 340nm, binding interaction between MDM2 or MDM4 and the p53 peptide induces energy transfer and enhanced response at the acceptor emission wavelength at 665 nm.
6656	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2Kx G, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL.
6656	2	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1x Pen/Strep, 1x NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2Kx G, 5 min at 4x C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol).
6658	2	Flashplate Assay	The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (Biotin-Ah-Ah-AKPKGNKDYHLQTCCGSLAYRRR) and 10 uM ATP (spiked with 0.25 uCi of 33P-ATP/well) are incubated at 30 C. for 120 min in a total volume of 50 ul (10 mM MOPS, 10 mM Mg acetate, 0.1 mM EGTA, 1 mM DTT, 0.02% of Brij35, 0.1% of BSA, pH 7.5) with or without test compound. The reaction is stopped with 25 ul of 200 mM EDTA. After 30 min at room temperature, the liquid is removed, and each well is washed three times with 100 ul of 0.9% sodium chloride solution. Non-specific reaction is measured in the presence of 100 nM staurosporine. The radioactivity is measured in a Topcount (PerkinElmer).
6659	1	Enzyme Linked Immunosorbant Assay	(1) The enzyme reaction substrate Poly(Glu, Tyr) 4:1 was diluted to 20 ug/mL, 1254/well coated enzyme label plate with potassium ion-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH7.2-7.4), which was placed at 37 C. to allow to react for 12-16 h. The liquid in the wells was discarded. The plate was washed with 200 uL/well of T-PBS (potassium ion-free PBS containing 0.1% Tween-20) for three times (each for 5 min). The enzyme label plate was placed into a drying oven at 37 C. to dry for 1-2 h.(2) To each well was added 504 of ATP solution diluted with reaction buffer (50 mM HEPES pH 7.4, 50 mM MgCl2, 0.5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT), and to each well was added 1 uL of the compounds. When adding the test compounds, 6 concentration gradients were set for each compound (the starting concentrations and dilution times were determined according to the results of preliminary screening so as to ensure that the maximum inhibition ratio was about 80%.
6660	1	Radioligand Competition Binding Assay	The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Perkin Elmer, 85.4 Ci/mmol) and the human recombinant GABA A receptor containing the alpha2, beta2, and gamma3 subunits.Membranes were prepared from HEK cells expressing hGABA A alpha2beta2- gamma3 receptor, and validated to ascertain protein concentration, receptor expression and to determine the Kd of the flumazenil as well as the Ki of a standard set of compounds before being used to test new compounds.The assay was carried out in 96 well plates; testing compounds using a 10 point semi-log dilution range from 19 uM top concentration. 100 ul of radioligand and 100 ul of membrane in 50 mM Tris-HCI and 0.05% F127 with 1 ul of test compound was incubated for 2 hours to allow the reaction to achieve equilibrium, and then harvested onto filter plates, dried and counted on a TopCount NXT. The data was analysed, and the Ki values were presented.
6661	1	Colorimetric Assay	The inhibition efficacy of PAD4 inhibitors were determined by colorimetric measurement of citrulline generated by PAD4 catalyzed citrullination of BAEE. 0.2 &#956;g PAD4 was pre-incubated with inhibitors in 100 &#956;l buffer containing 50 mM Tris-HCl pH7.6, 5 mM CaCl2, 2 mM DTT for 0.5 hr at 37&deg;C. The reaction was started by the addition of BAEE to 5 mM and halted 1.5 hr later with the addition of 25 &#956;l 5 M HClO4. Then the samples were briefly centrifuged at 12000 rpm for 2 min at 4&deg;C. and the supernatant (120 &#956;l) were assayed for citrulline by mixing with 120 &#956;l reagent A (0.5% w/v diacetyl monoxime and 15% w/v NaCl in water) and 240 &#956;l reagent B (1% w/v antipyrine, 0.15% w/v ferric chloride, 25% v/v H2SO4 and 25% v/v H3PO4). The mixtures were boiled for 15 min and cooled to room temperature in ice bath. The absorbance of the reagent mixtures at 464 nm was measured by Thermo BioMate 3 spectrophotometer.
6662	1	Inhibition Assay	A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated, and injected into mouse lymphoid cell line BA/F3 cells. Using a magnetic bead reagent for cell separation and a purification column (anti-CD8 monoclonal antibody immobilized on magnetic beads and a MiniMACS purification column; both are products of MilteDyi Biotec Inc.), cell surface CD8-expressing cells were purified to establish EML4-ALK fusion protein v1-expressing BA/F3 cells. From the cells, EML4-ALK fusion protein v1 was purified and subjected to kinase activity evaluation. EML4-ALK fusion protein v1 was investigated for its phosphorylation activity toward a peptide substrate by using a kinase activity detection kit (HTRF KinEASE-TK; Cisbio Inc.). Test compounds were each added to a reaction solution containing the enzyme protein to give 8 final concentrations from 1000 nM to 0.3 nM, followed by addition of ATP.
6662	2	Inhibition Assay	A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition. In the absence of the test compound, the phosphorylation peptide peak without ATP addition and with ATP addition was assumed to be 100% inhibition and 0% inhibition, respectively. 
6662	3	Inhibition Assay	A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5, except that the ATP concentration in the mixed solution of ATP and substrate peptide (Caliper) was 50 uM. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition.
6662	4	Inhibition Assay	A partial protein of only a kinase domain of FLT3 protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition.
6663	1	In Vitro Assay	Chymase assays were performed in a total volume of 15 uL in Corning black opaque 384-well microtiter plates with a non-binding surface (Corning, N.Y.). The assay buffer was comprised of 20 mM Tris HCl pH 8.0, 50 mM NaCl, 0.01% CHAPS. The test compounds were serially diluted 3-fold with neat DMSO in a 96-well polypropylene plate from a 10 mM DMSO stock to give the 10 point dose response curve. 3 uL of the resulting DMSO solution were transferred to a 384-well polypropylene plate in duplicate, and 37 uL of assay buffer was added. Chymase was added to the assay plate in 3 uL of assay buffer followed by 2 uL of the appropriate compound dilution using a PlateMate Plus (Matrix Technologies Corp., Hudson, N.H.). The reaction was initiated by the addition of 10 uL rhodamine 110, bis-(succinoyl-L-alanyl-L-alanyl-L-prolyl-L-phenylalanylamide) (American Peptides, Sunnyvale, Calif.) in assay buffer containing 150 uM tris(2-carboxyethyl)phosphine.
6664	1	Binding Assay	ORL-1 Receptor Binding Assay Procedure: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Perkin Elmer, Shelton, Conn.) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 ml/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 mM at 4 C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/ml. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of the ORL-1 receptor membranes were stored at -80 C.Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug membrane protein in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4).
6664	2	Binding Assay	u-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well).
6664	3	Binding Assay	Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 mM at 4 C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of kippa receptor membranes were stored at -80 C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant lc opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4).
6664	4	Binding Assay	Delta-Opioid Receptor Binding Assay Procedures: delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 ug membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 ul binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 uM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hr at a temperature of about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 1-2 hours.
6665	1	Inhibition Assay	The PDE assay was performed according to a modified method referred to a report of Kotera et al. (Kotera et al., Biochem. Pharmacol., vol. 60, pp. 1333-1341, 2000), by the radiolabeled nucleotide method.Specifically, the measurements of the inhibitory activities were carried out in the following method.(Method) The test compounds were dissolved in dimethyl sulfoxide (DMSO). 2 uL of the compound solution was added to 96 well plate, and the reaction mixture (20 uL of PDE enzyme solution in 50 mM Tris-HCl, pH 8.0, 40 uL of the assay buffer (50 mM Tris-HCl, pH 8.0, 2 mM MgCl2, 0.07% 2-mercaptoethanol, and 0.825 mg/mL bovine serum albumin), and 20 uL of 1 mg/mL snake venom in 50 mM Tris-HCl, pH8.0) was added to the 96 well plate. The enzyme reaction was started by adding and mixing with substrate solution of 20 L containing approximate 35 nM 3H-cAMP in 50 mM Tris-HCl, pH 8.0. The final concentration of cAMP in the reaction mixtures was 7 nM.
6666	1	Binding Assay	Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of the cells in the presence of protease inhibitors, for use in receptor binding assays. Prostanoid receptor binding assays (for DPI, DP2 (CRTH2), EPl, EP2, EP3-III, EP4, FP, IP, and TP) are performed in 10 mM MES/KOH (pH 6.0) (EPs, FP and TP) or 10 mM HEPES/KOH (pH 7.4) (DPs and IP), containing 1 mM EDTA, 2.5-30 mM divalent cation and the appropriate radioligand. Synthetic compounds are added in dimethylsulfoxide which is kept constant at 1 % (v/v) in all incubations. The reaction is initiated by addition of membrane protein. Non-specific binding is determined in the presence of 10 uM of the corresponding non-radioactive prostanoid . Incubations are conducted for 60-90 min at room temperature or 30 0C and terminated by rapid filtration. Specific binding is calculated by subtracting non specific binding from total binding.
6667	1	Kinase Glo Luminescence Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50 - 100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCI2;5 mM MnCI2; 50 mM KCI; 0.2% BSA; 0.01 % CHAPS; 100 uM Na3V04; 0.5 mM DTT) and 10% glycerol at -80 C until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase. Method:The test compounds were dissolved in 100 % DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM.
6668	1	 EMSA Based Assay	A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable insight into the inhibitor&#39;s mode of action against the STAT3 homo-dimer.
6669	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30 C., the reactions were washed 2 mls per well PBS-T.
6669	2	Kinase Assay	Biochemical PDGFRbeta kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 36 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30 C., the reactions were washed 2 mls per well PBS-T.
6670	1	SPA Assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 &#956;l prepared from 7.5 &#956;l additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H-Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 &#956;l of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4° C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.
6671	1	Inhibition Assay	Beef heart mitochondria were obtained by a large-scale procedure. Inverted submitochondrial particles (SMP) were prepared by the method of Matsuno-Yagi and Hatefi (J. Biol. Chem. 260 (1985), p. 14424), and stored in a buffer containing 0.25 M sucrose and 10 mM Tris-HCl (pH 7.4) at &#8722;80° C. Inhibitory effects of compounds on bovine heart mitochondrial complex (I, III, IV) were evaluated. Maximal dimethyl sulfoxide concentration never exceeded 2% and had no influence on the control enzymatic activity. Beef heart SMP were diluted to 0.5 mg/mL. The enzymatic activities were assayed at 30° C. and monitored spectrophotometrically with a Beckman Coulter DU-530 (340 nm, c=6.22 mM&#8722;1 cm&#8722;1). NADH oxidase activity was determined in a reaction medium (2.5 mL) containing 50 mM Hepes, pH 7.5, containing 5 mM MgCl2. The final mitochondrial protein concentration was 30 &#956;g.
6672	1	Millipore Kinase Panel Assay	Employing the Milipore panel of purified kinases EXAMPLE 87 (IC50=1 nM) inhibited 98% of purified Syk kinase activity at 50 nM. IC50 values were determined for those kinases that were inhibited by >80% at 300 nM in the Millipore kinase panel.
6672	2	Inhibition Assay	SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). LANCE refers to homogeneous time resolved fluorometry applications using techniques such as time-resolved fluorescence resonance energy transfer assay (TR-FRET) (see generally for procedures in Perkin Elmer Application Note How to Optimize a Tyrosine Kinase Assay Using Time Resolved Fluorescence-Based LANCE Detection, wwww.perkinelmer.com/lifesciences). The assay principle involves detection of a phosphorylated substrate using energy transfer from a phosphospecific europium-labeled antibody to streptavidin-allophycocyanin as an acceptor.To test the ability of candidate molecules to inhibit SYK tyrosine phosphorylation activity, molecules are reconstituted in 30% DMSO and serially diluted 1:3 with the final dilution containing DMSO in the absence of the candidate molecule. The final DMSO concentration in the assay is 3%.
6673	1	Homogenous Time-Resolved Fluorescence Assay (HTRF)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1PBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture.
6674	1	IMAP TR-FRET Assay	Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL, of serial diluted PDE10A (BPS Bioscience, San Diego, Calif.) or tissue homogenate was incubated with equal volumes of diluted fluorescein labeled cAMP or cGMP for 60 min in 384-well polystyrene assay plates (Corning, Corning, N.Y.) at room temperature. After incubation, the reaction was stopped by adding 60 uL, of diluted binding reagents and was incubated for 3 hours to overnight at room temperature. The plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer. The data were analyzed with GraphPad Prism (La Jolla, Calif.).Enzyme Inhibition. To check the inhibition profile, 5 uL, of serial diluted compounds were incubated with 5 uL, of diluted PDE10 enzyme (BPS Bioscience, San Diego, Calif.) or tissue homogenate in a 384-well polystyrene assay plate (Corning, Corning, N.Y.).
6675	1	Radioligand Binding Assay	Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors were homogenized in ice-cold buffer with 10 mM Tris-HCl, 5 mM EDTA, 3 mM EGTA, 1 mM phenylmethylsuphonyl fluoride, pH 7.6, using Polytron PT10-35GT (Kinematica) at 18,000 rpm for 30 seconds and centrifuged at 500xg for 10 minutes. The supernatant containing the plasma membranes was centrifuged at 100,000xg for 30 minutes and the pellet was resuspended in buffer containing 20 mM glycine-glycine, 1 mM MgCl2, 250 mM sucrose, pH 7.2, for storage at -80 C.For the SSTR1, 2 and 5 assays, membranes and various concentrations of test compounds were incubated in 96-well plates for 60 minutes at 25 C. with 0.05 nM [125I-Tyr11]-SRIF-14 (for hSSTR1; PerkinElmer Life Science), 0.05 nM [125I-Tyr]-seglitide (for hSSTR2; PerkinElmer Life Science) or 0.05 nM [125I-Tyr]-[DPhe-cyclo(Cys-Tyr-DTrp-Lys-Val-Cys)-Thr-NH2] (for hSSTR5.
6675	2	Radioligand Binding Assay	The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably transfected with hDRD2 receptor, as follows. The cDNA coding sequence of hDRD2 (GenBank accession No. X51362) was subcloned into the mammalian expression vector pcDNA3.1/GS (Life Technologies). Clonal cell lines stably expressing hDRD2 were obtained by transfection into CHO-K1 cells and subsequently selected with culture medium containing 0.3 mg/mL of zeocin (Life Technologies).Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing hDRD2 were homogenized in ice-cold buffer with 10 mM Tris-HCl, 5 mM EDTA, 3 mM EGTA, 1 mM phenylmethylsuphonyl fluoride, pH 7.6 using Polytron PT10-35GT (Kinematica) at 18,000 rpm for 30 seconds and centrifuged at 500xg for 10 minutes. The supernatant containing the plasma membranes was centrifuged at 100,000xg for 30 minutes and the pellet was resuspended.
6676	1	Inhibition Assay	MDCK cells stably transfected with rat PGT (Endo et al., 2002) were seeded at 15-20% confluence on 24-well plates. The day on which the cells were seeded was considered day 1. PGE2 uptake experiments were conducted on day 4. All of the PGE2 uptake experiments were conducted at room temperature. On day 4, cells were washed twice with Waymouth buffer (135 mM NaCl, 13 mM H-Hepes, 13 mM Na-Hepes, 2.5 mM CaCl2, 1.2 mM MgCl2, 0.8 mM MgSO4, 5 mM KCl, and 28 mM D-glucose). Then 200 &#956;L of Waymouth buffer containing [3H]PGE2 (purchased from Perkin Elmer) was added to each well. At the designed time, the uptake of [3H]PGE2 was stopped by aspiration of uptake buffer; this was followed by immediate washing twice with 500 &#956;L of chilled Waymouth buffer. Cells were then lysed with 100 &#956;L lysis buffer containing 0.25% SDS and 0.05 N NaOH. 1.5 mL of scintillation solution was added to each well, and intracellular [3H]PGE2 was counted by MicroBeta Counter.
6678	2	Electrophysiological Assay	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV's), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel alpha -subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37 C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating.
6680	1	Binidng Assay	First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride (pH 7.5) such that the concentration of the amyloid beta peptides was 100 mM, and then the solution was left to stand for 16 hours at 30 C., thereby producing amyloid beta peptide aggregates. To these amyloid beta peptide, amyloid beta peptide aggregates that had been prepared in advance by the same method and sonicated for 30 minutes under 28-45-100 KHz variation were added by a 1/1000 quantity, whereby uniform amyloid beta peptide aggregates were prepared.The amyloid beta peptide aggregates prepared by the above method, thioflavin-T, and a measurement compound were added in a 50 mM phosphate buffer (pH 7.4) such that the final concentrations thereof were 1 uM, 3 uM, and 0.02 to 20 uM, respectively. The resultant solution was cause to react for 30 minutes at 23 C. with the light shielded.
6681	1	Inhibition Assay	To conduct the assays, the 250 uM monasuspiloin solution was further diluted with 10% DMSO to prepare 25 uM, and 5 uM monasuspiloin samples, and the final concentration of DMSO in the cell culture was 1%.The cell line used in glucocorticoid receptor (GR) assay was human A-549 cells (cultured in Ham's F12K medium (Gibco, USA), 10% FBS), the cell line used in progesterone receptor (PR) assay was human T-47D cells (cultured in RPMI 1640 medium (Gibco, USA), 10% FBS), and the cell line used in estrogen receptor (ER) assay was human MCF7 cells (cultured in MEM medium (Gibco, USA), 10% FBS). The cells in the exponential phase of growth were washed off with 1 ml of 0.05% trypsin, centrifuged and collected in a centrifuge tube. 1x107 cells were resuspended in 270 ul BES medium (5 mM BES in medium) and 8 to 10 ug of plasmid [pMMTV-SEAP plasmid was used for GR and PR (see FIG. 7), and pTA-ERE-SEAP plasmid (Clontech, USA) was used for ER (see FIG. 8)] were also added.
6682	1	Binding Assay	Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI accession NM022938). Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assays using 5-carboxamido[3H]tryptamine ([3H]5-CT) (Amersham Biosciences, cat. 90000403) detection. HitHunter cAMP assays are in-vitro based competitive immunoassays. The assay was performed on the HEK-293 cell line stably transfected with r5-HT7 receptor. Cells were pre-incubated with test compounds for 10 minutes.
6683	1	TR-FRET Assay	Akt1 inhibitory activity of compounds of the present invention may be quantified0 employing the Akt1 TR-FRET assay as described in the following paragraphs. His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in am- ide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany).For the assay 50 nl of a IOOfold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio- One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCI pH 7.5, 5 mM MgCI2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22C to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
6683	2	TR-FRET Assay	Akt2 inhibitory activity of compounds of the present invention was quantified employing the Akt2 TR-FRET assay as described in the following paragraphs.His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased form Invitrogen (part number PV 3975). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx- KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlinn-Buch, Germany). For the assay 50 nl of a 10Ofold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio- One, Frickenhausen, Germany), 2 ul of a solution of Akt2 in assay buffer [50 mM TRIS/HCI pH 7.5, 5 mM MgCI2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22C to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
6684	1	LC-MS Biochemical Assay	Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a product of the NADPH-dependent alpha-KG reduction reaction.More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction volume of 30 uL and the following assay buffer conditions: 50 mM HEPES pH 7.4, 10 mM MgCl2, 50 mM KCl, 1 mM DTT, 0.02% BSA, 5 uM NADPH and 100 uM alpha-KG.The final reaction mixture contained 3.3% DMSO and inhibitors with concentrations ranging 0.02-50 uM. The IDH1 enzyme was used at a final concentration of 0.25 nM. Following 45 minutes incubation, the reaction mixtures were quenched by the addition of 10 uL of 16% formic acid containing 800 nM of 5-carbon labeled 13C-2-HG). The protein was then precipitated by the addition of 2.5 volumes of acetonitrile followed by centrifugation (3000xg, 20 minutes).
6686	1	Biological Assay	An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was used for IC50 determination and kinetic analysis. The reaction was carried out in a 30 uL volume containing 0.3 nM CDK4/cyclin D1, 150 nM biotin-pRb (773-924), 3 uM ATP, and 1.3% DMSO (or compound in DMSO) in the assay buffer (50 mM HEPES-Na, pH 7.5; 5 mM MgCl2, 1 mM DTT, 0.02% Tween-20, and 0.05% BSA). 3 uM ATP was added last to initiate the reaction. The reaction was quenched with 10 uL of 240 mM EDTA-Na (pH 8.0) after 60 min incubation at 22 C. The signal was developed by the addition of 40 uL detection solution containing 40 nM SA-APC, 143 ng/mL anti-phospho-pRb (S780) antibody, and 1 nM Eu-W1024 anti-rabbit IgG antibody in the detection buffer (50 mM HEPES-Na, pH 7.5, 60 mM EDTA-Na, pH 8.0, 0.05% BSA, and 0.1% Triton X-100). After 60 min incubation in the dark, the plate was read on Envision.
6687	1	Inhibition Assay	384-well plates (Costar #3654) were filled using a liquid handling robot with 20 uL of a mixture of 50 nM of a fluorescein-linked UDP-GlcNAc analog (see Gross et al, 2003), 1-2 uM sOGT, and buffer (20 mM potassium phosphate, pH=7.4 with 500 uM tris(hydroxypropyl)phosphine). The 1249 compound library was serially diluted in DMSO from the 5 mg/ml plates fivefold 3 times, such that 4 different concentrations of compounds were prepared. Compound libraries of the 4 concentrations in duplicated were then transferred to the assay plates using a 100 nL pin array, resulting in a final compound concentration of 25 ug/mL or 70 uM at the highest of the four concentrations, assuming an average compound MW of 350. Using a Perkin Elmer Envision microplate reader, the sample was excited at 480 nm in the vertical plane, and simultaneous emission intensity (535 nm) of the vertical and horizontal polarization planes was measured.
6688	1	Inhibition Assay	In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716). Amplification with Easy-A polymerase (Stratagene, La Jolla, Calif.) was 95 ° C. for 2 minutes followed by thirty three cycles of 95 ° C. for 40 seconds, 55 ° C. for 30 seconds, and 72 ° C. for 2 minutes 48 seconds. Final extension was 72 ° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.2-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol.
6689	1	FRET (fluorescence resonance energy transfer) Assay 	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.2nM) is pre-incubated for one hour with inhibitors, typically in about luL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm). 
6690	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for u-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Counter.
6690	2	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant kippa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 uM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 1-2 hours.
6691	1	Lanthascreen Competitive Binding Assay	The assay was performed according to manufacturer protocol. A mixture of nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan-PPAR Green, and serial dilutions of the experimental compound, beginning at 10 &#956;M downwards, was added to wells of black 384-well low-volume plates (Greiner) to a total volume of 18 &#956;L. All dilutions were made in TR-FRET assay buffer C. DMSO at 2% final concentration was used as a no-ligand control. Experiment was performed in triplicate, and incubated for 2 hours in the dark prior to assay read in Perkin Elmer ViewLux ultra HTS microplate reader. FRET signal was measured by excitation at 340 nm and emission at 520 nm for fluorescein and 490 nm for terbium. Fold change over DMSO was calculated using GraphPad Prism Software (La Jolla, Calif.) by calculating 520 nm/490 nm ratio. Graphs were plotted as fold change of FRET signal for compound treatment over DMSO-only control.
6695	1	Time-Resolved Fluorescence-based Lanthascreen Assay	Inhibitions studies were performed using a time-resolved fluorescence-based Lanthascreen assay. Phosphorylation of a fluorescein-labelled substrate peptide is measured using terbium-labeled phosphospecific antibodies. Terbium is excited at 340 nm and the FRET energy transfer to fluorescein is measured at 495 and 520 nm. The emission ratio between 520 and 495 is a measure of the level of phosphorylation of the substrate by the kinase.Kinase inhibition assays (10 L) were performed at 20 ° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ATP (20 M) based on a radiometric assay (Invitrogen) using 8 or 10 point curves in duplicate. The final reaction conditions contained 400 nM fluorescein-IkB ± substrate (DRHDSGLDSMKDE), 20 M ATP, 2 nM or 8 nM IKK µ or TBK1 kinase respectively, and 3% DMSO in kinase assay buffer consisting of 50 mM HEPES (pH 7.5), 10 mM MgCl, 1 mM EGTA, 0.01% Brij-35.
6696	1	FRET Assay	Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with residues 17 to 125 (containing p53 binding surface, Science (1994) 265, 346-355), with N-terminal His and Thioredoxin tag was generated in pET32a expression vector and expressed in E. coli strain BL21(DE3)Rosetta. Protein was purified using Ni-affinity chromatography, followed by size exclusion chromatography using Superdex 75 26/60 column. To assess inhibition of p53 binding to HDM2, a FITC labeled 8-mer peptide (SEQ ID NO:1: Ac-Phe-Arg-Dpr-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2; Anal Biochem. 2004 Aug. 1; 331(1):138-46) with strong affinity towards the p53 binding pocket of HDM2 was used. The HDM2 assay buffer contained 1x Phosphate Buffered Saline (Invitrogen, Cat#14190), 0.01% BSA (Jackson ImmunoResearch, Cat#001-000-162), 0.01% Tween-20. In the 1x assay buffer recombinant HDM2 protein, peptide and Lumi-4-Tb Cryptate-conjugate mouse.
6697	1	Binding Assay	A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incubation buffer, and the HEK293 cells forced to express the human 5-HT5A receptor that were prepared at a concentration of 200 ug/ml were added thereto at 100 ul/well. The cells were incubated for 15 minutes at room temperature, and then a [3H]5-CT solution (3 nM [3H]5-CT, incubation buffer) was added thereto at 100 ul/well.100 ul of the cell solution was separately dispensed into a liquid scintillation vial, and 2 ml of Aquasol II (registered trademark) was added thereto, followed by stirring. Thereafter, the radioactivity thereof was measured using a liquid scintillation counter. The cells were incubated for 60 minutes at 37 C. The reaction mixture was aspirated into a 96-well GF/C filter plate having undergone pretreatment with 0.2% polyethyleneimine, and washed 6 times with an ice-cold 50 mM Tris (pH 7.4).
6698	1	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318).
6698	2	Cell-Free Assay	This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay BACE2 activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-KEISEISYEVEFR-C(Oregon green)-KK-OH. The BACE2 enzyme is available from Enzo Life Sciences (Cat # BML-SE550). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE2 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE2 is at a final concentration of 2.5 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 uL assay buffer (100 mM Sodium Acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37 C.
6699	1	Thermal Shift Assay	Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structure. The thermal stability of the ligand-Akt1 complex was assessed by subjecting the complex to a set temperature gradient and by comparison of the meltion temperature of the Akt1-ligand complex with the melting temperature of the protein alone. Protein unfolding was monitored by the fluorescence readout of an environmentally sensitive fluorescent dye, 1-anilinonaphthalene-8-sulfonic acid (ANS). Protein-ligand mixture containing 15 uM compound, 200 ng/mL full length inactive Akt1, 200 uM ANS in the binding buffer (25 mM Tris-HCl (pH. 7.5), 100 mM NaCl, 10% Glycerol, and 5 mM DTT) was prepared in a PCR plate. The PCR plate was placed into a RT-PCR instrument and a temperature gradient was performed, increasing from 27 to 80 C., at 1 C./30 sec heat rate with a dwell time of 20 sec.
6699	2	Alpha Screen Assay	AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology. AKT1 activation was achieved by the addition of the activating kinases PDK1 and MAPKAPK2, lipid vesicles, and ATP. The extent of peptide phosphorylation was determined using a phospho-AKT substrate antibody and acceptor beads conjugated to Protein A and donor beads conjugated to streptavidin that bind to the biotin on the peptide. Excitation of the donor beads converted ambient oxygen to excited singlet oxygen which, when in close proximity to acceptor beads, reacted with acceptor beads resulting in signal amplification.
6700	2	IMAP-FPT (Molecular Devices Trade Mark Technology) Endpoint Assay	A 384-well microtiter IMAP-FPT (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The same assay was used for IC50 determination of small molecule inhibitors. In general, the kinase reactions were carried out in 20 uL volumes in the reaction solution, which is composed of 2 uL compound (in 20% DMSO), 8 uL CDK1/cyclin B in the 1x Reaction Buffer (Molecular Devices, Cat. No. R8139), 10 uL substrate mixture of Tamra Histone-H1 peptide (Molecular Devices, Cat. No. R7384) and ATP (Amersham Pharmacia, Cat. No. 27-2056-01) in the 1x Reaction Buffer with 1 mM DTT freshly added. The final reaction mixture contains compound (inhibitor) with the concentration varying from 0.005-10 uM, 2% DMSO, 0.25 nM CDK1/cyclin B, 100 nM Tamra Histone-H1 peptide, and 20 uM ATP.All reactions were run at room temperature in black 384-well flat-bottom Costar plates (Corning, Cat. No. 3710) for 120 min then were quenched.
6700	3	IMAP-FPT (Molecular Devices Trade Mark Technology) Endpoint Assay	The assay was run under the conditions identical to that for CDK1/cyclin B except 0.25 nM CDK1/cyclin B was replaced with 0.3 nM CDK2/cyclin A. A 384-well microtiter IMAP-FPT (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The same assay was used for IC50 determination of small molecule inhibitors. In general, the kinase reactions were carried out in 20 &#956;L volumes in the reaction solution, which is composed of 2 &#956;L compound (in 20% DMSO), 8 &#956;L CDK1/cyclin B in the 1× Reaction Buffer (Molecular Devices, Cat. No. R8139), 10 &#956;L substrate mixture of Tamra Histone-H1 peptide (Molecular Devices, Cat. No. R7384) and ATP (Amersham Pharmacia, Cat. No. 27-2056-01) in the 1× Reaction Buffer with 1 mM DTT freshly added. The final reaction mixture contains compound (inhibitor) with the concentration varying from 0.005-10 &#956;M, 2% DMSO, 0.25 nM CDK1/cyclin B, 100 nM Tamra Histone-H1 peptide, and 20 &#956;M ATP.
6700	1	TR-FRET (Time-Resolved-Fluorescence Energy Transfer) Endpoint Assay	A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measurements. The same assay was used for IC50 determination of small molecule inhibitors. In general, the kinase reactions were carried out in 30 uL volumes in the reaction solution containing the following: 2 uL compound (in 20% DMSO), 18 uL CDK4/cyclin D1 in Assay Buffer (50 mM HEPES, pH 7.5, 5 mM MgCl2, 2 mM MnCl2, 1 mM DTT, 0.05% BSA, 0.02% Tween-20), 10 uL of the mixture of pRb152 and ATP. The final reaction mixture contains compound (inhibitor) with the concentration varying from 0.005-10 uM, 2% DMSO, 0.3 nM CDK4/cyclin D1, 175 nM pRb152, and 3 uM ATP (Amersham Pharmacia, Cat. No. 27-2056-01). All reactions were run at room temperature in 384-well white flat-bottom OptiPlates (Perkin Elmer, Cat. No. 6007290) for 60 min then were quenched by the addition of 10 uL of 120 mM EDTA.
6701	1	TR-FRET Assay	Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for JAK2 and c-Src with the ATP concentration of 10 &#956;M and 50 &#956;M, respectively. The Eu-labelled anti-phospho tyrosine antibody (Perkin Elmer) was added at 1 nM and the fluorescence emission at 615 nm and 665 nm was measured with an excitation wavelength of 340 nm.
6703	1	Competitive Displacement Assay	Receptor Binding (in vitro Assay) The Ki (binding affinity) for mu-, delta-, and kippa-receptors was determined with a previously described method using a competitive displacement assay (Neumeyer, 2003). Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 different concentrations of the compound in the presence of 0.25 nM [3H]DAMGO, 0.2 nM [3H]naltrindole or 1 nM [3H]U69,593 in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25 C. Incubation times of 60 min were used for [3H]DAMGO and [3H]U69,593. Because of a slower association of [3H]naltrindole with the receptor, a 3 h incubation was used with this radioligand. Samples incubated with [3H]naltrindole also contained 10 mM MgCl2 and 0.5 mM phenylmethylsulfonyl fluoride. Nonspecific binding was measured by inclusion of 10 uM naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass.
6704	1	Kinase Assay	PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a substrate. The extent of FITC-labeled histone H3 peptide phosphorylation was measured by immobilized metal ion affinity-based fluorescence polarization (IMAP) technology (Sportsman J R, et al., Assay Drug Dev. Technol. 2: 205-14, 2004) using IMAP FP Progressive Binding System (Molecular Devices Corporation). Test compounds were dissolved in DMSO at 12.5 mM and then serially diluted as the DMSO concentration in the assays to be 1%. The serially diluted compounds, 0.8 ng/micro-L PBK (Carna Biosciences) and 100 nM FITC-labeled histone H3 peptide were reacted in a reaction buffer (20 mM HEPES, 0.01% Tween-20, 0.3 mM MgCl2, 2 mM dithiothreitol, 50 micro-M ATP, pH 7.4) at room temperature for 1 hour. The reaction was stopped by the addition of three fold assay volume of progressive binding solution. Following 0.5 hour incubation at room temperature.
6706	1	In Vitro Binding Assay	hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genbank accession number AY429109) receptors. hEP2 and hEP3 membranes are prepared from HEK293 cells transiently transfected with EP2 (Genbank accession number AY275471) or EP3 (isoform VI: Genbank accession number AY429108) receptor plasmids. Frozen cell pellets are homogenized in homogenization buffer using a Teflon/glass homogenizer. Membrane protein is aliquoted and quick frozen on dry ice prior to storage at -80 C. Homogenization buffer contained 10 mM Tris-HCl, pH 7.4, 250 mM sucrose, 1 mM EDTA, 0.3 mM indomethacin and plus Complete, with EDTA, obtained from Roche Molecular Biochemicals (Catalog Number 1 697 498).Kd values for [3H]-PGE2 binding to each receptor are determined by saturation binding studies or homologous competition. Compounds are tested in a 96-well format using a three-fold dilution series.
6707	1	Enzyme Inhibition Assay	Experimental Procedure for Kinetic Analyses: Enzymatic reactions were carried out in PBS buffer (pH 7.4) using pNP-GlcNAc as a substrate (0.5 mM) and monitored continuously at 37 C. at 400 nm using a Cary 3E UV-VIS spectrophotometer equipped with a Peltier temperature controller. Reactions were pre-heated in a 500 L quartz cuvette for approximately 5 minutes followed by addition of 10 L enzyme via syringe (final enzyme concentration 0.002 mg/mL). Reaction velocities were determined by linear regression of the linear region of the reaction progress curve between the first and third minutes.
6709	1	Enzyme Inhibition Assay	Human SCD-1 enzyme activity using HepG2 cell microsomes after treating with inhibitory compounds (% inhibition):Human hepatocarcinoma HepG2 cells (ATCC, HB-8065) are cultured to confluence and trypsinised. The cell pellet is taken up with 10 mM Tris (pH 7.4) sucrose (250 mM) DTT (1 mM) buffer and the cells are lysed by sonication. The microsomes are obtained after centrifugation at 10,000 g for 20 minutes at 4 C. followed by centrifugation of the supernatant at 100,000 g for 60 minutes at 4 C. The pellet is taken up with 10 mM Tris (pH 7.4) sucrose (250 mM) buffer at 4 C. and the microsomal proteins are assayed and stored at -196 C. (liquid nitrogen).The enzyme reaction measures the conversion of stearic acid (C18:0 fatty acid) to oleic acid (C18:1 fatty acid) by SCD-1. The enzyme reaction is started by adding 125 ug of HepG2 cell microsomal fraction to tubes (total reaction volume of 500 ul) containing 62 uM of stearic acid.
6710	1	FRET (Fluorescence Resonance Energy Transfer) Assay	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.2 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm).
6711	1	Spectrophotometric Assay	This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R. C. J. 1989 J Neurosci Methods 30, 23-28) utilizing glutamate dehydrogenase as auxiliary enzyme. Samples consisted of the respective QC substrate, 0.3 mM NADH, 14 mM alpha-Ketoglutaric acid and 30 U/ml glutamate dehydrogenase in a final volume of 250 ul. Reactions were started by addition of QC and persued by monitoring of the decrease in absorbance at 340 nm for 8-15 min. The initial velocities were evaluated and the enzymatic activity was determined from a standard curve of ammonia under assay conditions. All samples were measured at 30 C., using either the SPECTRAFluor Plus or the Sunrise (both from TECAN) reader for microplates. Kinetic data was evaluated using GraFit software.
6712	1	Potassium Channel Assay	Drugs belonging to different classes have been shown to be associated with QT prolongation and in some cases serious ventricular arrhythmias. The most common mechanism for these adverse events is the inhibition of one or more cardiac potassium channels, in particular hERG. This current is important for cardiac myocyte repolarization and is a common target for drugs that prolong the QT interval. Test articles in this study were therefore characterized to determine their ability to inhibit the hERG channel. Ion channel activity was measured using a stably transfected Chinese Hamster Ovary (CHO) cell line expressing the hERG mRNA. The pharmacology of this cloned channel expressed in the CHO cell line is very similar to that observed in native tissue.
6713	1	Omnia Assay	Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13xATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1x kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM beta-glycerophosphate, 5% glycerol (10x stock, KB002A) and 0.2 mM DTT (DS001A). 5 uL of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25C. with a 0.5 L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 uL of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at lamda ex360/lamda em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
6714	1	In Vitro Inhibition Assay	The kinase activity of CaMKII beta is evaluated by means of a radioactive test on the recombinant CaMKII beta enzyme. The amount of ATP-gamma 33P incorporated into the specific substrate Autocamtide-2 during its phosphorylation by CaMKII beta is measured. The effect of the products is quantified by the concentration of product that inhibits the total activity of CaMKII beta by 50% (50% inhibitory concentration=IC50). For the determination of the IC50 values, the product is diluted in 100% of DMSO to obtain a 10 mM stock solution. The concentration range tested during the radioactive test ranges from 3 to 10 000 nM with a final concentration in the test of 1% DMSO. This concentration range may, for the most powerful compounds, be extended to 0.1 nM. On the day of the operation, 5 ul of the compounds are deposited in each well of a 96-well plate at 10 times the concentration of that to be tested. Each concentration is tested in duplicate on the same plate.
6715	1	Inhibition Assay	A renin substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotometer before starting an enzymatic reaction (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Recombinant human renin was added and the mixture was incubated at 37 C. for an hour, and the fluorescence intensity was measured after the reaction using using a fluorophotometer (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Renin activity was evaluated on the ground of fluorescence intensity which was obtained by deduction of the intensity before the reaction from the intensity after the reaction, and 50% inhibitory concentration (IC50) was calculated from renin activities under the existence of various concentration of the tested compound.
6716	1	Biochemical Assay	A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus Btk enzyme is prepared containing IX Cell Signaling kinase buffer (25 mM Tris-HCl, pH 7.5, 5 mM beta- glycerophosphate, 2 mM dithiothreitol, 0.1 mM Na3V04, 10 mM MgCl2), 0.5 ul Promega PTK Biotinylated peptide substrate 2, and 0.01% BSA. A master mix plus Btk enzyme is prepared containing IX Cell Signaling kinase buffer, 0.5 ul PTK Biotinylated peptide substrate 2, 0.01% BSA, and 100 ng/well (0.06 mU/well) Btk enzyme. Btk enzyme is prepared as follows: full length human wildtype Btk (accession number NM-000061) with a C-terminal V5 and 6x His tag was subcloned into pFastBac vector for making baculo virus carrying this epitope-tagged Btk. Generation of baculovirus is done based on Invitrogen's instructions detailed in its published protocol "Bac-to-Bac Baculovirus Expression Systems".
6717	1	Fluorescence Polarization Assay	In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716). Amplification with Easy-A polymerase (Stratagene, La Jolla, Calif.) was 95 C. for 2 minutes followed by thirty three cycles of 95 C. for 40 seconds, 55 C. for 30 seconds, and 72 C. for 2 minutes 48 seconds. Final extension was 72 C. for 7 minutes. The PCR product was TA cloned into pcDNA3.2-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. AD293 cells with 70-80% confluency were transiently transfected with human PDE10A.
6718	1	TR-FRET Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot.
6718	2	TR-FRET Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt2 in the assay was adjusted depending of the activity of the enzyme lot.
6719	1	Trans-Phosphorylation Assay	Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity. Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by beta -counting.Reagents/Assay Conditionsi. Dowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 18 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.After three washes as above over a couple of days, the resin is allowed to settle and two volumes (wrt the resin volume) of 150 mM sodium formate buffer are added.
6719	2	Trans-Phosphorylation Assay	Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity.Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by beta -counting.Reagents/Assay ConditionsDowex Resin Preparation500 g of wet resin (SIGMA, custom prepared resin DOWEX 18 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.After three washes as above over a couple of days, the resin is allowed to settle and two volumes (wrt the resin volume) of 150 mM sodium formate buffer are added.
6720	1	Inhibition Assay	The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 enzyme. The cyclic nucleotide substrate concentration used was at a Km concentration (25 nM final). PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger adenosine 5'-cyclic phosphate (cAMP) to the non-cyclic adenosine 5'-monophosphate (AMP). The SPA assay was based upon the selective interaction of the tritiated product with yttrium oxide LEADseeker beads.The assay was performed in 10 uL samples containing 5 uL of 0.3 ng/mL PDE10 final and 5 uL of 3H-5' cAMP (PerkinElmer, NET111540) run at Km of 25 nM final. The assay buffer contained 25 mM HEPES pH 7.4, 2.5 mM Magnesium Chloride and 0.1% BSA. Compound dose response curves were pre-incubated with 5 L of 2PDE10 enzyme for 10 minutes.
6721	1	Kinase Assay	KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 .mu.L, of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
6721	2	Kinase Assay	Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 .mu.M KKKSPGEYVNIEFG, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 .mu.L, of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting. 
6722	1	Fluorescence-Based Assay	Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
6723	1	Fluorescence Resonance Energy Transfer (FRET) Assay	Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were performed by reference to the procedure as described in Ermolieff, et al. (Biochemistry 39:12450-12456 (2000), the teachings of which are incorporated hereby in their entirety). Briefly, the recombinant protease unit of BACE1 was prepared from E. coli expression as inclusion bodies, refolded, and purified as described in Lin, et al., (Proc. Nat. Acad. Sci. 97:1456-1460 (2000)). Fluorogenic substrate, MCA-SEVNLDAEFK(DNP)-NH2 (SEQ ID NO:1) was purchased. (M-2485, Bachem Americas, Torrance, Calif.). The substrate was derived from 10 amino acids of the human amyloid precursor protein (APP), with the Swedish variant amino acids at the beta-secretase cleavage site. The terminal amino acid was modified from arginine to lysine to facilitate derivatization with a functional group for detection by autofluorescence.
6723	2	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, PerkinElmer, Boston Mass.). This substrate also has Swedish variant amino acids at the &#946;-secretase cleavage site, with a fluorescent europium (Eu) chelate coupled to one end and a quencher of europium fluorescence (QSY7) coupled to the other end via lysine. If the sample contains BACE1 activity, the Eu chelate and the quencher will be separated as the substrate is cleaved. The Eu-signal increases and it can be measured by time-resolved fluorometry, EnVision, 30 minutes after the substrate (final concentration 300 nM) was added.
6723	3	Inhibition Assay	The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an automated planar patch-clamp system QPatch HTX (Sophion Bioscience A/S). The application of pressure for forming gigaseals and whole-cell patch clamp configuration were established using the QPatch assay software. Patch-clamp experiments were performed in voltage-clamp mode and whole-cell currents were recorded. The following stimulation protocol was applied to investigate the effects of compounds on hERG potassium channel.The membrane potential was held at &#8722;80 mV and repetitively (every 15 seconds) depolarized to +20 mV for 4800 milliseconds after the pulse to &#8722;50 mV for 20 milliseconds served to define the baseline, followed by repolarizing step to &#8722;50 mV for 5000 milliseconds to evaluate of the tail current amplitude. Experiments were conducted at room temperature.
6724	1	TR-FRET In-Vitro Binding Assay	All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 uL per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5 uL per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30 C. for 35 minutes.
6724	2	AlphaScreen In-Vitro Binding Assay	In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the CREBBP assay with a similar protocol, however using AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, Perkin Elmer) as detection readout instead of TR-FRET. The assay was started by stepwise addition of 4.5 uL per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 324 nM His-CREBBP (1081-1197) (custom production at Viva Biotech Ltd.)) and 4.5 uL per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 120 nM acetyl-histone H4 (AcK 5, 8, 12) (Biosyntan GmbH)). Reactions were incubated at 30 C. for 35 minutes. Subsequently 4.5 uL per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 45 ug/ml Ni-chelate acceptor beads, 45 ug/mL streptavidin-donor beads) (Perkin Elmer)) were added.
6725	1	Uptake Assay	A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScript. Having the sequence information, it was built into pcDNA5 carrier by using traditional molecular biology methods, and then the expression plasmids were transfected into Flp-in CHO cells by using Lipofetamin 200 liposomal transfection method. The transfected cells were screened for hygromycin resistance, and the single-cell clone was screened out through the process of gradient dilution. Having obtained the single-cell clone, the uptake assay of 14C-AMG in FLP-in CHO cells stably expressing SGLT1/SGLT2 was evaluated.Cells were seeded at a density of 3x104 cells per well, uptake assay was carried out after adherent cells were cultured overnight. At least 12 hours later of culture, cells were washed once by 150 microliters per well of the absorption solution KRH-NMG (120 mM NMG, 4.7 mM KCl, 1.2 mM MgCl2, 2.2 mM CaCl2, 10 mM HEPES, pH 7.4 with HCl). To every well that was cleaned with buffer KRH-Na+ and KRH-NMG.
6726	1	Competitive Binding Assay	Competitive Binding Test of Drug to the Receptor (Rat Heart TSPO) and Radioligand (3H-PK11195): (1) tubes were placed in reaction condition of 30 C.(2) all tubes were added with 20 ug of receptor protein in order;(3) the test tubes were added in order with 20 uL of drugs in certain concentrations;(4) the non-specific binding tubes were added with 20 uL of non-tagged ligand (PK11195), the final concentration of the non-tagged ligand was 0.1 mM, pre-reacted for 30 min;(5) all tubes were added in order with 25 uL 3H-PK11195, the final concentration of the labeled ligand was 1.5 nM;(6) Tris-HCl Buffer pH7.4 was used to complement the reaction volumes of all tubes to reach 200 uL;(7) the reaction was performed under 30 C. reaction condition for 1 h;(8) Then samples were applied to 49-type glass fibre filter, vacuum suction filtered, then washed with 2 ml ice-cold Tris-HCl buffer solution (50 mM Tris-HCl buffer solution, 1 mM EDTA, 5 mM MgCl2, 1 mM PMSF, 0.1% NaN3.
6727	1	Biochemical Assay	Using the method described in Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3Kdelta, and for selectivity for PI3Kdelta versus other Class I PI3K isozymes. In Table 1, IC50 values (uM) are given for PI3Kdelta (Delta), and may be calculated for the other isoforms using the ratios of IC50 values discussed below. To illustrate selectivity of the compounds, the ratios of the IC50 values of the compounds for PI3Kalpha, PI3Kbeta, and PI3Kgamma relative to PI3Kdelta are given, respectively, as Alpha/Delta Ratio, Beta/Delta Ratio, and Gamma/Delta Ratio.The initial selectivity assays were performed identically to the selectivity assay protocol in Example 2, except, using 100 uL Ecosint for radiolabel detection. Subsequent selectivity assays were done similarly using the same 3 substrate stocks except they contained 0.05 mCi/mL gamma [32P] ATP and 3 mM PIP2. Subsequent selectivity assays also used the same 3 enzyme stocks.
6728	1	Caliper Mobility-Shift Assay	A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted with DMSO to 0.5 mM, then diluted in 3.162 gradient multiple to obtain total 11 concentrations.20 ul of substrate 10 uM FL-cGMP was added to 96-well plate, to which was added 1 ul of compound DMSO solution or compound-free DMSO solution, then was added 29 ul of 1.38 ng/ul PDE-5A enzyme buffer solution (100 mM Hepes pH 7.5, 5 mM MgCl2, 0.002% Brij-35). The maximum final concentration of the compound was 10 uM. After incubation at 30 C. for 1 h, 20 ul of 70 uM EDTA was added to terminate reaction. Substrate and products were separated and analyzed by electrophoresis.
6730	1	Radioligand Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug membrane protein in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 500 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. Fifty ul/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted.
6730	2	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Counter.
6730	3	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours.
6730	4	Radioligand Dose-Displacement Binding Assay	&#948;-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 &#956;g membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 &#956;l binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours.
6731	1	Inhibition Assay	Inhibitory activity against Factor IXa was tested using the substrate SPECTROFLUOR FIXa (American Diagnostica Inc.; 500 West Avenue, Stamford, Conn. 06902 USA; Pr. No. 299F) and human Factor IXa (American Diagnostica Inc.; Pr. No. 449b). Test substances dissolved in buffer A (50 mM &#945;,&#945;,&#945;-tris(hydroxymethyl)methylamine (Tris), 100 mM NaCl, 5 mM CaCl2, 15% (v/v) ethylene glycol, pH 8.0) were mixed with Factor IXa (2.0 &#956;g/ml final concentration). The enzyme reaction was started by addition of SPECTROFLUOR FIXa (100 &#956;M final concentration). After incubation for 60 minutes at room temperature, the reaction was stopped by the addition of 20% (v/v) acetic acid solution, and then fluorescence value measured (Excitation Wavelength: 355 nm, Emission Wavelength; 460 nm) in a microtiter plate reader (ARVO 1420 Multilabel Counter; PerkinElmer).
6732	1	Fluorometric Assay	A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 uM; kcat=75 s-1; kcat/Km=1.5x106 M-1s-1. A typical reaction contains approximately 50 pM enzyme, 50 uM Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 uL. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 uM AMC is produced in 30 minutes at 25 degrees C. The enzyme used in these studies was soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system (Bac-To-Bac, Gibco BRL). The kinetic constants for hydrolysis of Gly-Pro-AMC and GLP-1 were found to be in accord with literature.
6733	1	Inhibition Assay	The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity (Khalifah, 1971). Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Hepes (pH 7.5) as buffer, 0.1 M Na2SO (for maintaining constant the ionic strength), following the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (1 mM) were prepared in distilled-deionized water with 10-20% (v/v) DMSO.
6734	1	Calcium Fluorescence Assay	The assay is based on the detection of intracellular calcium changes detected by the selective, calcium-chelating dye, Fluo-4 (Molecular Probes). A large fluorescence intensity increase is observed upon calcium association with Fluo-4. The dye is delivered to the cell interior using an acetoxymethylester form of Fluo-4, where the intracellular esterase activity results in the charged species being released and trapped within the cytoplasm of the cell. hence, influx of calcium to this cytoplasmic pocket, via release from intracellular pools and the phospholipase C cascade can be detected. By co-expressing the CXCR2 receptor and the promiscuous Galpha 16 protein, activation of this chemokine receptor is directed into this phospholipase C cascade resulting in intracellular calcium mobilization.The CHOK1 cells stably transfected with human CXCR2 and the promiscuous Galpha 16 protein were maintained in a log phase of growth at 37 C. and 5% CO2 in the following media: Iscove's.
6735	1	Inhibition Assay	The actual target(s) whereby the most active substituted trans-stilbenes inhibit the TNF&#945;-induced activation of NF-&#954;B remains to be identified. Resveratrol has been shown to suppress the TNF-induced phosphorylation and nuclear translocation of the p65 subunit of NF-&#954;B.38 Both IKK&#945; and IKK&#946; are able to catalyze the phosphorylation of p65, although through different signaling pathways,39 and are potential targets. Likewise, one or more of the kinases that activate IKK by phosphorylation, in response to TNF&#945; or to the numerous other activators of NF-&#954;B,35 may be the targets.
6736	1	Binding Assay	Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the ability to displace 3H-progesterone as reference substance from the receptor. If a compound has an affinity corresponding to progesterone, this corresponds to a competition factor (CF) of 1. CF values greater than 1 are characterized by a lower affinity for the progesterone receptor, and CF values of less than 1 are characterized by higher affinity.
6736	2	Binding Assay	The test was carried out as in 1, with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the reference substance was 3H-testosterone.The results of the binding tests and the ratio of the competition factors CF(PR) and CR(MR) are shown in Table 1, which for comparison also shows receptor binding values of drospirenone as reference substance A.
6737	1	Inhibition Assay 	Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. 06902 USA; Pr. No. 299F) and human factor IXa (american diagnostica inc.; Pr. No. 449b). Test substances dissolved in buffer A (50 mM &#945;,&#945;,&#945;-tris (hydroxymethyl)methylamine (Tris), 100 mM NaCl, 5 mM CaCl2, 15% (v/v) ethylene glycol, pH 8.0) were mixed with factor IXa (2.0 &#956;g/ml final concentration). The enzyme reaction was started by addition of SPECTROFLUOR FIXa (100 &#956;M final concentration). After incubation for 60 minutes at room temperature, the reaction was stopped by the addition of 20% (v/v) acetic acid solution, and then measured the fluorescence value (Excitation Wavelength: 355 nm, Emission Wavelength; 460 nm) in a microtiter plate reader (ARVO 1420 Multilabel Counter; PerkinElmer).
6738	1	Enzyme Assay	All rate-based assays were performed in black 384-well polypropylene polymerase chain reaction (PCR) microplates (Abgene) in a total volume of 30 &#956;L. Substrate 4-methylumbelliferyl butyrate (4MU-B; Sigma) and either purified mutant MGL (mut-MGLL 11-313 L179S L186S) or purified wild type MGL (wt-MGLL 6H-11-313) were diluted separately into 20 mM PIPES buffer (pH=7.0), containing 150 mM NaCl and 0.001% Tween 20. Compounds of formula (I) were pre-dispensed (50 nL) into the microplate using a liquid handling dispenser prior to adding 4MU-B (25 &#956;L of 1.2× solution to a final concentration of 10 &#956;M) followed by enzyme (5 &#956;L of a 6× solution to a final concentration of 5 nM) to initiate the reaction. Final compound concentrations ranged from 17 to 0.0003 &#956;M. The fluorescence change due to 4MU-B cleavage was monitored with excitation and emission wavelengths of 335 and 440 nm, respectively, and a bandwidth of 10 nm (Safire2, Tecan) at 37° C. for 5 min.
6738	2	ThermoFluor Assay	The ThermoFluor (TF) assay is a 384-well microplate-based binding assay that measures thermal stability of proteins1,2. The experiments were carried out using ThermoFluor instruments available from Johnson & Johnson Pharmaceutical Research & Development, LLC. TF dye used in all experiments was 1,8-ANS (Invitrogen: A-47). Final TF assay conditions used for MGL studies were 0.07 mg/ml of mutant MGL, 100 uM ANS, 200 mM NaCl, 0.001% Tween-20 in 50 mM PIPES (pH=7.0).Screening compound plates contained 100% DMSO compound solutions at a single concentration. For follow-up concentration-response studies, compounds were arranged in a pre-dispensed plate (Greiner Bio-one: 781280), wherein compounds were serially diluted in 100% DMSO across 11 columns within a series. Columns 12 and 24 were used as DMSO reference and contained no compound. For both single and multiple compound concentration-repsonse experiments, the compound aliquots (46 mL) were robotically predispensed directly into 384-well.
6739	1	Binding Assay	Platelet membranes are incubated with 12 nM [3H]haTRAP and test substance in different concentrations in a buffer (50 mM Tris pH 7.5, 10 mM magnesium chloride, 1 mM EGTA, 0.1% BSA) at room temperature for 80 min. Then the mixture is transferred to a filter plate and washed twice with buffer. After addition of scintillation liquid, the radioactivity on the filter is measured in a beta counter.
6740	1	Inhibition Assay	The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).
6741	1	FRET Assay	Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25 uL of 50 mM KH2PO4, pH 4.6, 1 mM TRITON X-100, 1 mg/mL Bovine Serum Albumin, and 15 uM of FRET substrate) (See Yang, et. al., J. Neurochemistry, 91(6) 1249-59 (2004)). The content is mixed well on a plate shaker for 10 minutes. Fifteen uL of two hundred pM human BACE1(1-460):Fc (See Vasser, et al., Science, 286, 735-741 (1999)) in the KH2PO4 buffer is added to the plate containing substrate and test compounds to initiate the reaction. The RFU of the mixture at time 0 is recorded at excitation wavelength 355 nm and emission wavelength 460 nm, after brief mixing on a plate shaker. The reaction plate is covered with aluminum foil and kept in a dark humidified oven at room temperature for 16 to 24 h.
6742	1	Fluorescence Quench Assay	The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluor 488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-(QXLT 520)-OH (SEQ ID NO:1) AnaSpec, San Jose, Calif.) and truncated human beta-secretase, BACE1 (amino acids 1-454) fused to a myc-his tag and secreted from HEK293/BACEect. cells into OptiMEM (Invitrogen). The substrate was dissolved at 1 mg/ml in DMSO.The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing the ectodomain of BACE1, 25 ul water containing the desired 2-fold concentration of test compound and 2% DMSO, 1 uM substrate peptide, 20 mM NaOAc, pH 4.4, and 0.04% Triton-X100 in a total assay volume of 50 ul in a 384 well plate. In general, 25 ul of compound dilution were given to the plate followed by the addition of 10 ul of BACE1 containing OptiMEM diluted 1:10 in water.
6743	1	Ellman&#39;s Method	The reaction mixture containing phosphate buffer, AChE or BChE and chosen compounds was prepared and intensively stirred. In given times (5, 10, 15, 20, 30, 40, 50, 60, 80, 240 and 1380 min), DTNB and ATCh were added to the sample withdrawn from reaction mixture, quickly mixed and absorbance was measured.
6744	1	Alpha-glucosidase Inhibition Assay	A 100 µL assay mixture containing 70 µL phosphate buffer saline (50 mM at pH 6.8), 10 µL corresponding test compounds dissolved in methanol/DMSO (0.5 mM) and 10 µL (0.057 units) &#945;-glucosidase enzyme were mixed, pre-incubated for 10 min at 37C and the abosrbance was recorded at 400 nm. The reaction was initiated by the addition of 10 µL p-nitrophenyl-&#945;-D-glucopyranoside (substrate, 0.5 mM/well).
6745	1	DAPK1 Electrophoretic Mobility Shift Assay	The reaction was started by adding a mix of ATP and Peptide 38 to assay plates containing DAPK1. Prior to mixing, all reagents are diluted in assay buffer (100 mM HEPES (pH 7.5), 5 mM MgCl2, 0.05% CHAPS, 0.5 mM DTT and 0.1 mg/ml IgG, 10 µM Na-Orthovanadate). The 20 µL reaction solution was incubated 60 min at room temperature and then stopped by addition of 5 µL EDTA to a final concentration of 10 mM.
6745	2	DAPK1 Isothermal Titration Calorimetry	40 µL of a solution containing 350-500 µM of CPR005231 (compound 6) were titrated into the 200 µL sample cell containing 25-55 µM DAPK1 (AA 1-285) or 40 µL of DAPK1 (AA 1-285) 250 µM were titrated into the 200 µL sample cell containing 16 µM of compound 6. The buffer used contained 50 mM HEPES (pH 7.5), 150 Mm NaCl, 5 mM MgCl2, 1 mM 2-mercaptomethanol. In each experiment, a volume of 1-2 µL of ligand was added at a time resulting in 20-40 injections and a final molar ratio between 1:1 and 1:3.
6746	1	Protein Kinase Assay	We incubated human recombinant CDK2/cyclin A with small molecules at the indicatedconcentrations in buffer A (Tris HCl (25 mm, pH 7.5), MgCl2 (10 mm), EGTA (1 mm), DTT (1 mm), heparin (50 mg/mL)) containing histone H1 (1 mg/mL), ATP (15 mm) and [g-33P]ATP (15 mm, 3,000 Cimmol^-1; 10 mCi/mL) in a final volume of 30 mL. After 30 min incubation at 30 C , we stopped the reaction by using a MicroBeta FilterMate-96 Harvester and P81 phosphocellulose papers , which we washed in phosphoric acid (1 %). We added scintillation fluid, and we measured the radioactivity in a counter with microplate robotic stackers. We calculated kinase activity as picomoles of phosphate incorporated during the 30 min incubation. We evaluated percentage kinase activity as the amount compared to that measured in the absence of inhibitors.
6747	1	Fluorimetric Assay	The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n = 3) and 0.12 +/- 0.02 nmol/mg/min (n = 3), respectively. The interactions of the synthesized compounds with hMAO isoforms were determined by a fluorimetric method described previously. The production of H2O2 catalyzed by MAO isoforms was detected using a non-fluorescent Amplex-Red reagent which reacts with H2O2 in the presence of horseradish peroxidase to produce the fluorescent product resorufin. The reaction was started by the addition of 200 uM Amplex Red reagent, 1 U/mL horseradish peroxidase, and p-tyramine (concentration range 0.1 to 1 mM). Control experiments were carried out using reference inhibitors (Selegiline and Moclobemide). The possible capacity of compounds to modify the fluorescence generated in the reaction mixture due to non-enzymatic inhibition was determined by adding these compounds to solutions containing only the Amplex Red reagent in  sodium phosphate buffer.
6748	1	Alpha-glucosidase Assay	Typically, &#945;-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrate. The inhibitors were pre-incubated with enzyme at 37 °C for 0.5 h. The substrate was then added and the enzymatic reaction was carried out at 37 °C for 60 min. The reaction was monitored spectrophotometrically by measuring the absorbance at 400 nm.
6749	1	Cathepsin Ezyme Assay	Cathepsin B and H were first activated in the presence of thiol activators at pH 6.0 and pH 7.0, respectively. Then, 15 µL of the enzyme solution was mixed with 940 µL of 0.1 M sodium phosphate buffer containing 1 mM EDTA separately, for 10 min at 37 °C. Then, 20 µL of stock solution (5 mM) of different compounds were added separately to the activated enzyme assay mixtures to effect final drug concentrations as 1 × 10^-4 M in 1 mL assay (4.5% DMSO). After 30 min, 25 µL of 100 mM substance stock solution was added to start the reaction.
6750	1	Quantitative Reverse Transcriptase Assay	We used quantitative reverse-transcriptase PCR to measure the RNA levels of certain AMP genes (lysozyme, gallerimycin, moricin and cecropin) in caterpillars of M. sexta and the greater waxmoth G. mellonella challenged with Serratia entomophila or Salmonella enterica, respectively, following injection of different urea lipid compounds.
6751	1	Intrinsic-Fluorescence Titration	Purified ThiT was diluted in buffer E to a concentration of ~50 nM in a final volume of 800 µL. The substrates were added in 1 µL steps. Using an excitation wavelength of 280 nm, emission was measured at 350 nm and 25 °C. After each addition of substrate, 10 s were allowed for equilibration and mixing, and the signals were averaged over 15 s.
6752	1	Fluorogenic ACC Substrate Assay	Reactions were carried out in solutions (50 µL) containing PgaB (10 µM) in HEPES (100 mM, pH 7.5), and varying concentrations of ACC (0.05-10 mM) at 37 °C in a 96-well plate. Before adding the substrate, the reaction solution was pre-incubated at 37 °C for 10 min.
6752	2	Fluorescamine Assay	In a standard optimized reaction, SpPgdA was added to a microcentrifuge tube and incubated at 30 °C for 5 min. Chitotriose was added as a substrate to obtain the desired final substrate concentration. Total reaction volume was 50 µL and contained SpPgdA (2 µM) and cobalt(II) chloride (5 µM) in HEPES (25 mM, pH 7.0). Immediately after addition of substrate, the sample was incubated at 30 °C. Aliquots (10 µL) were removed from the reaction at 75 or 100 s intervals for up to 5 min. Each aliquot was immediately added to quenching buffer (20 µL, 0.4 M borate, 100 mM EDTA, pH 9.0), followed by the addition of fluorescamine in DMF (10 µL, 2 mg/mL). This labeling reaction was allowed to occur for 10 min at room temperature before the addition of DMF/H2O, and the fluorescence was measured (excitation = 360 nm, emission = 460 nm).
6753	1	In Vitro Inhibition Assay	An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+ and Mg2+) containing 10 mM HEPES and FLIPR Calcium 3 dye (3.1x107 cells in total volume 1.7 mL). Cells were aliquoted (200 uL of the cell suspension per tube, 8 tubes total) and 2 uL of the designated compound (with appropriate dilutions) were added to each of 6 tubes. As controls, 2 uL of DMSO (1% final concentration) were added to 2 other tubes. Cells were incubated for 30 min at 37 C. After dye loading, tubes were centrifuged at 6,000 rpm for 1 min, supernatant was removed and the cell pellet was re-suspended in 200 uL of HBSS+ (with Ca2+ and Mg2+) containing 10 mM HEPES. The test compound or DMSO (control) was added again at the same concentrations that were used during cell loading. The cell suspension was aliquoted into a 96-well Reading Plate (Corning) in a volume of 90 uL (105 cells/well).
6754	1	Kinase Assay	PI3K KinaseGlo assay: 50 mL of compound dilutions were dispensed onto black 384-well low volume Non Binding Styrene (NBS) plates (Costar Cat. No. NBS#3676). L-a-phosphatidylinositol (PI), provided as 10 mg/ml solution in methanol, was transferred into a glass tube and dried under nitrogen beam. It was then resuspended in 3% OctylGlucoside (OG) by vortexing and stored at 4 C. The KinaseGlo Luminescent Kinase Assay (Promega, Madison/WI, USA) is a homogeneous HTS method of measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction.5 uL of a mix of PI/OG with the PI3K subtype were added (Table 1). Kinase reactions were started by addition of 5 ul of ATP-mix containing in a final volume 10 uL 10 mM TRIS-HCl pH 7.5, 3 mM MgCl2, 50 mM NaCl, 0.05% CHAPS, 1 mM DTT and 1 uM ATP, and occurred at room temperature. Reactions were stopped with 10 ul of KinaseGlo and plates were read 10 mins later in a Synergy2 reader.
6754	2	TR-FRET Tracer Assay	IC50s for mTOR interacting compounds were assessed using the FRAP1/mTOR TR-FRET tracer assay (Invitrogen by Life Technologies). FRAP1/mTOR (PV4753) and LanthaScreen Eu-Anti-GST Antibody (PV5594) (total volume of 14 uL) were added to each well of a ProxiPlate-384 Plus (Perkin-Elmer) 384-well plate. Compounds were serially diluted in DMSO (12-point, 4x dilution factor) and 1 uL of diluted compound was then added to each well and mixed by pipetting using a Biomek FX (Beckman Coulter). 5 uL of mTOR Kinase Tracer 314 (PV6087) was added to each well, mixed and plates were incubated at room temperature for 1 hour. Final concentrations of components are: 6 nM FRAP1/3 nM LanthaScreen Eu-Anti-GST Antibody/50 nM mTOR Kinase Tracer 314/unlabeled compounds, 4.8*10^-6-20 uM. Final assay buffer composition is: 50 mM HEPES (pH 7.5), 50 mM NaCl, 5 mM MgCl2, 1 mM EGTA, 0.01% Pluronic F-127. Plates were measured in plate reader (Perkin Elmer, EnVision) using 340 nm excitation.
6755	1	Kinase Assay	The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2,25 mM beta-glycerol phosphate 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of GST-JAK3 enzyme with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 ul of 35 mM EDTA to each sample. Each reaction mixture was analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison with no enzyme control reactions for 100% inhibition, and vehicle-only treated reactions for 0% inhibition. The final concentration of reagents in the assay was: ATP, 8 uM; fluoresceinated peptide, 1.5 uM.
6755	2	Kinase Assay	The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerol phosphate, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of GST-JAK1 enzyme with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 ul of 35 mM EDTA to each sample. Each reaction mixture was analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison with no enzyme control reactions for 100% inhibition, and vehicle-only treated reactions for 0% inhibition. The final concentration of reagents in the assays was: ATP, 100 uM; fluoresceinated peptide, 1.5 uM.
6756	1	Integrase Assay	The effect of each compound on HIV integrase activity was assayed using the HIV-1 Integrase Assay Kit version 2.0, catalogue number EZ-1700 obtained from XpressBio Life Science Products. Immediately prior to the start of the assay, both compounds were dissolved in dimethyl sulfoxide (DMSO) and used immediately in the HIV integration assay. The assay was performed according to the instructions listed by the manufacturer (XpressBio Life Science Products, Maryland, USA). In brief, the required streptavidin-coated strip wells were coated with DS oligo and placed overnight at 4 ° C. The plates were then incubated with integrase and followed by the addition of test articles at the desired concentration. The plates were developed using the supplied HRP antibody and TMB peroxidase substrate as per the manufacturer's instructions. The reactions were stopped with TMB stop solution and immediately read (<10 min) using a VICTOR XXX. The absorbance of each well was read at 450 nm for 0.5 sec.
6757	1	TR-FRET assay	Akt1 inhibitory activity of compounds of the present invention was quantified employing the Akt1 TR-FRET assay as described in the following paragraphs. His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
6757	2	TR-FRET assay	Akt2 inhibitory activity of compounds of the present invention was quantified employing the Akt2 TR-FRET assay as described in the following paragraphs.His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased form Invitrogen (part number PV 3975). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
6758	1	TR-FRET assay	For the assay 50 nl of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio- One, Frickenhausen, Germany), 2 ul of a solution of Akt1 in assay buffer [50 mM TRIS/HCI pH 7.5, 5 mM MgCI2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 C to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 ul => final cone, in the 5 ul assay volume is 10 ul) and substrate (1 .67 ul => final cone, in the 5 ul assay volume is 1 ul) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot.
6759	1	Radioligand Dose-Displacement Binding Assay	mu-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well).
6759	2	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant kippa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 uM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 1-2 hours. Fifty ul/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added.
6759	3	Radioligand Dose-Displacement Binding Assay	Delta-Opioid Receptor Binding Assay Procedures: delta-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 ug membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 ul binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 uM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hour at a temperature of about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 ul ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 1-2 hours.
6760	1	Inhibition Assay	The potencies of the compounds as inhibitors of human hepatic cytochromes P450 of the CYP3A subfamily (particularly CYP3A4) were assessed using well-characterized selective activities: midazolam 1'-hydroxylase (Kronbach, T., et al. Mol. Pharmacol. 36, 89-96 [1989]) and testosterone 6beta -hydroxylase (Waxman, D. J., et al. Arch. Biochem. Biophys. 263, 424-436, [1988]). For midazolam hydroxylase determination the final concentrations of microsomal protein and terfenadine substrate were 0.25 mg/mL and 2.5 uM, respectively, and the LC-MS internal standard was 1alpha -hydroxytriazolam. For testosterone hydroxylase activity the final microsomal protein concentration was 0.5 mg/mL, the substrate concentration was 50 uM and the LC-MS internal standard was D7-labeled 6beta -hydroxytestosterone. After incubation at 37 C. for 5 minutes, metabolic reactions were terminated by treatment with quench solution containing the appropriate internal standard.
6761	1	Biological Assay	Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Avanti Polar Lipids) as the excipient. Vesicles were prepared by combining 571 uL of 29 mM DMPG in a 1:1 mixture of MeOH and CHCl3 with 2000 uL of 1 mM A10070 in a 1:1 mixture of MeOH and CHCl3. The mixture was dried under nitrogen in multiple vials then resuspended in 20 mL total volume of 50 mM HEPES pH 8.0 buffer containing 50 mM NaCl and 0.2 mM EDTA. The sample was allowed to sit at room temperature for 15 min and then was sonicated 3x4 mins on ice with a Branson Sonicator using duty cycle 1. This preparation provides vesicles with a mole fraction of 0.11 for the FRET substrate.The enzymatic assay was measured using 384-well white Optiplates. Each well contained 20 uL of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 0.25 uL of a DMSO solution containing a compound.
6762	1	Inhibition Assay	Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 uM. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 uM by serial dilution with DMSO:ACN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v.Pooled human liver microsome suspension (20 mg/mL) was determined.
6763	1	Biological Assay	In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.). Briefly, 1 ul of 10 mM compound was added to 500 ul of AR screening buffer in a 1.5 ml eppendorf tube to make a 2x10-5M stock. 10-fold serial dilutions of the test compounds were prepared ranging in concentration from 10-5M to 10-12M. Each dilution was added in triplicate to a black 384-microtiter plate. The test compounds will be diluted 2-fold in the final reaction. 2xAR-Fluormone complex was prepared with 2 nM Flourmone AL Green and 30 nM AR. 25 ul of 2x complex was aliquoted to each reaction well, such that the final reaction volume was 50 ul per well. The plate was sealed with a foil cover and incubated in the dark at room temperature.
6764	1	Inhibitor Screening Assay	The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chemical Item Number 700120). Briefly, test compounds were diluted to 20.times. the desired test concentration in 100% DMSO and 2.5 .mu.L of the diluted drug sample was added to a black 384-well plate. The LSD1 enzyme stock was diluted 17-fold with assay buffer and 40 .mu.M of the diluted LSD1 enzyme was added to the appropriate wells. The reaction mixture comprised horseradish peroxidase, dimethyl K4 peptide (corresponding to the first 21 amino acids of the N-terminal tail of histone H3), and 10-acetyl-3,7-dihydroxyphenoxazine was then added to wells. Generation of resorufin (generated by reacting with H.sub.2O.sub.2 produced in the reaction) was analyzed on an Envision microplate reader with an excitation wavelength of 530 nm and an emission wavelength of 595 nm.
6764	2	MAO-GloTM Assay	Inhibition of monoamine oxidase activity was carried used using the MAO-Glo.TM. Assay Kit according to the manufacturer&#39;s suggested protocol. Briefly, 6.25 .mu.L of test compound was added to each well of a 384-well plate. Enzyme (either MAO A or B) was added (12.5 .mu.L in 2.times. buffer containing 1 .mu.g protein) and allowed to incubate for 5 minutes. Finally, 6.25 .mu.L of 4.times.MAO substrate was added to each well. Following a one hour incubation, 25 .mu.L of Luciferin detection reagent was added to each well, and incubated for 20 minutes. Luminescence was then measured on an Envision microplate reader.
6765	1	Inhibition Assay	The functional activity of compounds was determined by measuring changes in intracellular calcium concentration using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by the cell imaging technology by Hamamatsu Photonics's Functional Drug Screening System (FDSS). Increases in intracellular Ca2+ concentration were readily detected upon activation with menthol.HEK293 cells stably expressing human TRPM8 were grown in flasks. On assay day, the culture medium was removed, and cells were washed with phosphate-buffered saline (PBS) and harvested with PBS containing 2 mM ethylenediaminetetraacetic acid, disodium salt (EDTA, 2Na). The cells were then incubated with assay buffer containing 3 uM Fura-2AM and 0.01% Pluronic F-127 for 60 min. Subsequently, suspended 20,000 to 50,000 cells per well were incubated with test compound (at varying concentrations) in each well for 20 min at 37 C.
6766	1	AlphaScreen Assay	Pim 1, Pim 2 & Pim 3 AlphaScreen assays using high ATP (11-125.times. ATP Km) were used to determine the biochemical activity of the inhibitors. The activity of Pim 1, Pim 2, & Pim 3 is measured using a homogeneous bead based system quantifying the amount of phosphorylated peptide substrate resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate. Compounds to be tested are dissolved in 100% DMSO and directly distributed to a white 384-well plate at 0.25 .mu.l per well. To start the reaction, 5 .mu.l of 100 nM Bad peptide (Biotin-AGAGRSRHSSYPAGT-OH (SEQ ID NO:1)) and ATP (concentrations described below) in assay buffer (50 mM Hepes, pH=7.5, 5 mM MgCl.sub.2, 0.05% BSA, 0.01% Tween-20, 1 mM DTT) is added to each well. This is followed by the addition of 5 .mu.l/well of Pim 1, Pim 2 or Pim 3 kinase in assay buffer (concentrations described below). Final assay concentrations (described below) are in 2.5% DMSO. The reactions are performed for .about.2 hours.
6767	1	Inhibition Assay	It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
6768	1	Inhibition Assay	NSC-87877 ranked among top 10% (175th) of the compounds with the best GLIDE scores for the docking to the human Shp2 PTP domain in our virtual screening of 2368 3D structures derived from the NCI Diversity Set. Computer docking of NSC-87877 (FIG. 2) suggested that the B-ring sulfonic acid group forms hydrogen bond with the backbone NH group of Arg-465. Arg-465 is a conserved residue in the PTP signature motif (motif 9) VHCSXGXGR[T/S]G located at the base of the PTP catalytic cleft (Andersen et al., 2001). The A-ring sulfonic acid forms hydrogen bonds with the side-chain NH3 group of Lys-280 and the side-chain NH2 group of Asn-281. Lys-280/Asn-281 are non-conserved PTP residues located adjacent to the phosphotyrosine recognition loop (motif 1) (Andersen et al., 2001). The interaction between aromatic rings of the compound and the protein contributes to the binding through hydrophobic stabilization.
6769	1	Fluorescence Polarization Assay	Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embodiments of the present invention. A fluorescein-labeled 12-amino acid peptide derived from MLL containing the high affinity menin binding motif was produced (Yokoyama et al., Cell., 2005. 123(2): p. 207-18., herein incorporated by reference in its entirety). Upon binding of the peptide (1.7 kDa) to the much larger menin (-67 kDa), the rotational correlation time of the fluorophore (peptide labeled with fluorescein at N-terminus) changes significantly, resulting in a substantial increase in the measured fluorescence polarization and fluorescence anisotropy (excitation at 500 nm, emission at 525 nm). The fluorescence polarization (FP) assay was utilized to determine the Kd for the binding of menin and the MLL peptide using a serial dilution of menin and 50 nM fluorescein-labeled MLL peptide.
6769	3	NMR Spectroscopy Assay	NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation transfer difference (STD), competition STD, and WaterLOGSY experiments to validate binding of compounds to menin. STD provides a reliable method, based on principles vastly different form fluorescence that is commonly used for drug screening (e.g. by pharmaceutical companies). The principle of the STD experiment is based on the transfer of magnetization from a protein to a small molecule. Such a transfer occurs only when the ligand-protein contact is direct, and can be detected when the ligand is in fast exchange between bound and unbound state (Mayer & Meyer. J Am Chem Soc., 2001. 123(25): p. 6108-17., herein incorporated by reference in its entirety). The difference spectrum of the ligand recorded with and without protein saturation is analyzed.
6769	2	Homogeneous Time-Resolve Fluorescence (HTRF) Assay	One potential limitation of the above FP assay is the risk of selection of compounds that may interfere with the FP assays and produce so called false-positives. Therefore, during development of embodiments of the present invention, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was utilized as a secondary, assay (e.g. for confirmation of results), commercialized by CIS-BIO as homogeneous time-resolve fluorescence (HTRF) assay. In some embodiments, the HTRF assay may be the primary assay and the FP assay is used as a secondary assay to confirm results. HTRF is based on the non-radiative energy transfer of the long-lived emission from the Europium cryptate (Eu3+-cryptate) donor to the allophycocyanin (XL665) acceptor, combined with time-resolved detection. When these two fluorophores are brought together by a biomolecular interaction, a portion of the energy captured by the Eu3+-cryptate during excitation at 337 nm is released through fluorescence emission.
6770	1	Biacore Assay	The evaluation of the binding affinity (KD) of the compounds of formula (I) to the HSP90 protein was done using Biacore T100.His-HSP90 N-term domain was immobilized by capture of his tag by the Ab previously covalently bound to the chip (CM5) surface. A short cross-linking procedure after HSP90 binding was necessary in order to obtained a more stable signal.The compounds were analyzed using the following running buffer: 20 mM Tris/HCl pH 7.6, 150 mM KCl, 5 mM MgCl2, 0.05% P20 and 1% DMSO. The flow rate was 50 ul/min with and association time of 60 seconds.The cpds were diluted in running buffer from 100x stock solution; the different conc injected were obtained from a sequential dilution in order to have the same DMSO conc. in each sample and avoid any solvent correction.A series of 5 sequential injections of increasing concentrations of compound were performed and the results were analyzed using a method reported in literature (Robert Karlsson et al).
6771	1	Enzymatic Assay	Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Avanti Polar Lipids) as the excipient. Vesicles were prepared by combining 285 uL of 1 mM DMPG in a 1:1 mixture of MeOH and CHCl3 with 15 uL of 1 mM A10070 in a 1:1 mixture of MeOH and CHCl3. The mixture was dried under nitrogen and resuspended in 150 uL of 50 mM HEPES pH 8.0 buffer containing 100 mM NaCl and 0.2 mM EDTA. The sample was allowed to sit at rt for 15 min and then was sonicated 3~4 mins on ice with a Branson Sonicator using duty cycle 1. This preparation provides vesicles with a mole fraction of 0.05 for the FRET substrate.The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 uL of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 2 ul of a DMSO solution containing compound of interest. Conditioned media obtained from HT-1080 cells, which were transformed by RAGE technology.
6772	1	Inhibitory Assay	This test is based on measuring the expression of the AKT protein phosphorylated on serine 473. The phosphorylation of AKT (pAKT) is measured by western blotting in the PC3 human prostate carcinoma line (ATCC CRL-1435), using an antibody that specifically recognises pAKT-S473.On day 1, the PC3 cells are seeded into 6-well plates (TPP, #92006) at the concentration of 0.8x106 cells/well in 1800 ul of DMEM medium (DMEM Gibco #11960-044) containing 10% of foetal calf serum (SVF Gibco, #10500-056) and 1% glutamine (L-Glu Gibco #25030-024), and incubated at 37 C., 5% CO2, overnight.On day 2, the cells are incubated in the presence or absence of the test products for 1 to 2 hours at 37 C. in the presence of 5% CO2. The molecules, diluted in dimethyl sulphoxide (DMSO Sigma #D2650), are added from a 10-times concentrated stock solution, the final percentage of DMSO being 0.1%. The molecules are tested either at a single concentration of less than or equal to 10 uM, or ....
6772	2	Inhibitory Assay	This test is based on measuring the expression of the AKT protein phosphorylated on serine 473 (P-AKT-S473), in the PC3 human prostate carcinoma line, by means of the technique based on a sandwich immunoassay using the MSD Multi-spot Biomarker Detection kit from Meso Scale Discovery: phospho-Akt (Ser473) whole cell lysate kit (#K151CAD) or phospho-Akt (Ser473)/Total Akt whole cell lysate kit (#K15100D). The primary antibody specific for P-AKT-S473 (Kit #K151CAD) is coated on to an electrode in each well of the 96-well plates of the MSD, kit: after the addition of a protein lysate to each well, the signal is visualised by adding a secondary detection antibody labelled with an electrochemoluminescent compound. The procedure followed is that described in the kit.On day 1, the PC3 cells are seeded into 96-well plates (TPP, #92096) at the concentration of 35 000 cells/well in 200 ul of DMEM medium (DMEM Gibco #11960-044) containing 10% of foetal calf serum (FCS Gibco, #10500-056).
6773	1	DXP Synthase Inhibition Assay	DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 µM), D-GAP (5-200 µM), IspC (1.7 µM), NADPH (160 µM), and DMSO (10%, v/v), together with inhibitor (0-300 µM), were preincubated at 37 °C for 5 min. Enzymatic reactions were initiated by addition of DXP synthase (50-100 nM).
6774	1	Anticholinesterase Activity Assays	The substrates of the reaction were acetylthiocholine iodide and butyrylthiocholine iodide. 5,5&#39;-dithio-bis(2-nitrobenzoic) acid (DTNB) was used for the measurement of the anticholinesterase activity. The solutions of the samples and galantamine in n-propanol were prepared at concentration of 4000 µg/mL. Aliquots of 150 µL of 100 mM phosphate buffer (pH 8.0), 10 µL of sample solution and 20 µL AChE (2.476 × 10^-4 U/µL) (or 3.1813 × 10^-4 U/µL BuChE) solution were mixed and incubated for 15 min at 25 °C. 10 µL of DTNB solution was prepared by adding 2.0 mL of pH 7.0 and 4.0 mL of pH 8.0 phosphate buffers to a mixture of 1.0 mL of 16 mg/mL DTNB and 7.5 mg/mL NaHCO3 in pH 7.0 phosphate buffers. The reaction was initiated by the addition of 10 µL (7.1 mM) acetylthiocholine iodide (or 0.79 mM butyrylthiocholine iodide). Propyl alcohol was used as a solvent to controls. The hydrolysis of these substrates was monitored at 412 nm.
6775	1	Radioligand Binding Assays	For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA, 10 mM MgCl2, 0.2 units/mL adenosine deaminase, the test compound and 1% DMSO. For the A1 receptor binding study, the incubations contained 5 mg of the original tissue weight of the whole brain membranes, 0.1 nM [3H]DPCPX, 0.2 units/mL adenosine deaminase, the test compound and 1% DMSO. The incubations were vortexed and incubated for 60 min at 25 °C in a shaking waterbath. Half an hour after incubation was started, the incubations were vortexed again. The incubations were terminated via filtration. The tubes were washed twice with 4 mL ice-cold Tris buffer and the filters were washed once more with 4mL ice-cold Tris buffer. The damp filters were place in scintillation vials and 4 mL of scintillation fluid was added. The vials were shaken and incubated for two hours before being counted.
6775	2	MAO Inhibition Assays	The enzymatic reactions were carried out at pH 7.4 (K2HPO4/KH2PO4 100 mM, made isotonic with KCl) to a final volume of 500 µL. The reactions contained the different inhibitor concentrations spanning at least 3 orders of magnitude and the MAO-A/B mixed substrate kynuramine (45 µM for MAO-A and 30 µM for MAO-B). DMSO, as co-solvent (4%) was added to each reaction. The enzyme reactions were initiated with the addition of MAO-A or MAO-B (0.0075 mg protein/mL) and incubated for 20 min at 37 °C in a waterbath. After termination with the additionof 400 µL NaOH (2 N) and 1000 µL water, the concentrations of the MAO generated 4-hydroxyquinoline were measured by fluorescence spectrophotometry (excitation = 310 nM; emission = 400 nM).
6776	1	DXR Inhibition Assay	H-DXR was pre-incubated during 2 min in the presence of the inhibitors at different concentrations and DXP (480 µM). NADPH (160 µM final concentration) was then added to measure the residual activity. The flavonoids are poorly soluble in water. Flavonoids solutions at different concentrations were prepared in DMSO by serial dilutions from 100 mM stock solutions. Aliquots of the solutions were added in the assays so that the concentration of DMSO did not exceed 0.4% (v/v). The inhibition mechanism of myricetin was studied by preincubating H-DXR with DXP at varied concentrations (96 480 µM) and fixed concentrations of myricetin (0.5, 1 and 2 µM). The enzymatic reaction was initiated by NADPH (final concentration160 µM). Fosmidomycin was used as a positive reference.
6776	2	DXR Inhibition Assay for Fosmidomycin	Assays were performed in 50 mM Tris/HCl buffer, pH 7.5, containing 3 mM MgCl2 and 2 mM DTT. The concentrations of NADPH and DXP were 0.15 and 0.5 mM respectively. When the reaction was initiated by H-DXR, the inhibition concentrations varied from 0.1 to 0.5 µM for fosmidomycin. When the enzyme was pre-incubated with the inhibitor, concentrations from 0.01 to 0.15 µM for fosmidomycin were used. Eyzme assays were run under the same conditions as those described above. The concentration of inhibitors were varied from 0.05 to 0.5 µM for fosmidomycin. The progress of reaction was monitored at 340 nm over 5 min.
6777	1	HDAC Enzyme Activity Assay	For the enzyme assay, 10 µL of the enzyme fraction was added to 1 µL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 µL of histone deacetylase buffer, and the mixture was incubated at 37 °C for 30 min. The reaction was stopped by the addition of 30 µL of trypsin (20 mg/mL) and incubated at 37 °C for 15 min. The released amino methyl coumarin (AMC) was measured using a fluorescence plate reader. DTT was added simultaneously with drugs to the enzyme solutions
6778	1	ADP-GloTM Assay	The protein kinase assays used to determine IC50 value were performed using ADP-GloTM assay kit. The assay was started by incubating the reaction mixture in a 96-well plate at 30 °C for 30 min. After the 30 min incubation period, the assay was terminated by the addition of 25 mL of ADPGloTM Reagent. The 96-well plate was shaken and then incubated for 40 min at ambient temperature, 50 mL of kinase detection reagent was added, the 96-well reaction plate was then read using ADP-GloTM luminescences protocol on GloMaxTM plate reader. Blank control waqs set up that included all the assay components except the addition of appropriate substrate (replace with equal volume of kinase assay buffer).
6779	1	Thymidine Phosphorylase Inhibition Assay	Briefly, a total reaction mixture of 200 µl contained 145 µl of potassium phosphate buffer (pH 7.4), 30 µl of enzyme at concentration 0.05 and 0.002 U, respectively, were incubated with 5 µl of test materials for 10 min at 25 °C in microplate reader. After incubation, pre read at 290 nm was taken to deduce the absorbance of substrate molecules. Substrate (20 µl, 1.5 mM) was dissolved in potassium phosphate buffer and was immediately added to plate and continuously read after 10, 20, and 30 min in micro-plate reader. All assays were performed in triplicate
6780	1	alpha-Glucosidase Assay	10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated with 50 µL ofcrude intestinal &#945;-glucosidase for 5 min before 50 µL substrate (5 mM, p-nitrophenyl-&#945;-D-glucopyranoside prepared in same buffer) was added. Release of p-nitrophenol was measured at 405 nm spectrophotometrically for 5 min after incubation with substrate. Individual blanks for test samples were prepared to correct background absorbance where substrate was replaced with 50 µL of buffer. Control sample contained 10 µL DMSO in place of test samples
6781	1	Acetylcholinesterase Inhibition Assay	AChI and 5,5&#39;-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 µL of Tris/HCl buffer (1 M, pH 8.0) and 10 µL of novel bromophenols solution at different concentrations and 50 µL AChE (5.32 × 10^-3 U) solution were mixed and incubated for 10 min at 25 °C. Then 50 µL of DTNB (0.5 mM) was transferred. Then the reaction was initiated by the addition of 50 µL of AChI. The hydrolysis of AChI was recorded spectrophotometrically by the formation of yellow 5-thio-2-nitrobenzoate anion as the result of the reaction of DTNB with thiocholine at a wavelength of 412 nm.
6782	1	In Vitro AChE Inhibition Assay	An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µl of buffered Ellman&#39;s reagent, 100 µl of acetylthiocholine iodide solution and 50 µl of supernatant and the change in optical density was measured immediately at 412 nm for 3 min. Kinetic studies were performed using six concentrations of substrate ATChI (0.25-2.0 mM) in the presence and absence of above mentioned same concentrations of inhibitors.
6783	1	Radioligand Binding Assay	The radioligands used were 1 nM (2R,3R,4S,5R)-2-(2-chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-3,4-diol ([3H]CCPA) for hA1, 10 nM (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-&#946;-D-ribofuronamide) ([3H]NECA) for hA2a, and 1 nM 2-(1-hexynyl)-N6-methyladenosine [3H] ([3H]HEMADO) for hA3 receptors.
6784	1	Cholinesterase Inhibition Assay	Suitable agents like donepezil hydrochloride and tacrine hydrochloride hydrate were used as standards for this study. Buffer solution (50 mM Tris-HCl, pH 8.0, 0.1 M NaCl, 0.02 M MgCl2 6H2O) was used to dilute the stock solutions of the test compounds dissolved in minimum volume of DMSO (1%). First of all 50 µL of AChE (0.22 U/mL prepared in 50 mM Tris-HCl, pH 8.0, 0.1% w/v bovine serum albumin, BSA) or 50 µL of BuChE (0.06 U/mL prepared in 50 mM Tris-HCl, pH 8.0, 0.1% w/v BSA) and 10 µL of different concentrations of the test and standard compounds (0.001-100 µM) were incubated in 96-well plates at room temperature for 30 min. Further, 30 µL of the substrate viz. Acetylthiocholine iodide [ATCI (15 mM)] or butyrlthiocholine iodide [BTCI (15 mM)] was added and incubated for 30 min. Finally 160 µL DTNB (1.5 mM) was added and absorbance was measured at 415 nm wavelength.
6785	1	Chitin Synthase Assays	Assays were performed in 96-wells microtiter plate with flat bottom. To each well of the plate, 100 µL of WGA solution was added at 50 µg/mL. After incubation at room temperature for at least 16 h the WGA solution was removed by triple washing with distill water. Wells were then blocked by adding 300 µL of BSA blocking buffer (20 mg/mL, 50 mM Tris-HCl, pH 7.5) and incubated for 3 h at room temperature. Microtiter plates were stored until use at -20 °C in blocking buffer. Before usage plates were thawed at 25 °C and thoroughly emptied. The standard reaction mixture in total volume 100 µL contains: UDP-GlcNAc (2.0 mM), GlcNAc (40 mM), MgCl2 (5.0 mM) and digitonin (0.1% w/v) dissolved in pH 7.5 Tris-HCl buffer (50 mM) containing test compounds at a range of concentrations from 0 mM (control) to 3.0 mM. The enzymatic reactions were started by the addition of 0.2 mg/mL solution of trypsin (1-10 µL) and membrane preparation (5-20 µL). Usually four different concentrations of trypsin were te
6786	1	Kinase-Glo Luminescent Kinase Assay	Briefly, recombinant human GSK3&#946; (1 µM, 10 µL) was mixed with 10 µL of GSK3&#946; substrate (YRRAAVPPSPSLSRHSSPHQpSEDEEE, 100 µM), 19 µL of 2.5 × kinase buffer (50 mM Tris-HCl, pH 7.4, 25 mM MgCl2), 10 µL of 10 µM ATP, 1 µL of the indicated amount of chemicals in DMSO to a final volume of 50 µL. Control reaction without kinase was set up. The mixtures were incubated at 30 °C for 40 min. The enzymatic reaction was stopped with 50 µL of Kinase-Glo reagent. Glow-type luminescence was recorded after 10 min.
6787	1	Beta-glucuronidase Inhibition Assay	&#946;-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometric method. The total reaction volume was 250 µL. DMSO (100%) was used to dissolve the compound (5 µL), which become 2% in the final assay (250 µL) and the same conditions were used for standard (D-saccharic acid 1,4-lactone). The reaction mixture contained 185 µL of 0.1 M acetate buffer, 5 µL of test compound solution, 10 µL of enzyme solution was incubated at 37 °C for 30 min. The plates were read at 405 nm after the addition of 50 µL of 0.4 mM p-nitrophenyl-&#946;-D-glucuronide. All assays were run in triplicate.
6788	1	Urease Inhibition Assay	The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA and 0.01 M LiCl2, pH 8.2). The resulting mixture in for each test compound was incubated for 30 min at 37 °C in 96-well plates. Subsequently, the phenol reagents (40 µL) (1%, w/v phenol and 0.005%, w/v sodium nitroprusside) and alkali reagent (40 µL) (0.5%, w/v NaOH and 0.1% active chloride NaOCl) were dropped down into each well. The absorbance of the colored resultant mixtures was measured after 30 min at 625 nm.
6789	1	Ethidium Bromide Uptake Assay	hP2X7-expressing HEK 293 cells were re-suspended at 2.5 × 10^6 cells/mL in assay buffer composed of 10 mM HEPES, 5 mM N-methyl-D-glutamine, 5.6 mM KCl, 10 mM D-glucose, and 0.5 mM CaCl2 (pH 7.4) supplemented with either 280 mM sucrose or 140 mM NaCl, and an 80 µL aliquot was added to each well of a 96-well plate. To each compound were added and KN-62 as the positive control, followed by the hP2X7R agonist benzoyl ATP (BzATP). The plates were incubated at 37 °C for 2 h and the cellular accumulation of ethidium ion was determined by measuring fluorescence (excitation = 530 nm; emission = 590 nm).
6790	1	Alpha-glucosidase Assay	Total volume of 100 µL reaction mixture contained 70 µL 50 mM phosphate buffer pH 6.8, 10 µL test compound (0.5 mM in methanol) followed by the addition of 10 µL enzyme solution (0.057 units) in the buffer. The contents were mixed, pre-incubated for 10 min at 37 °C and pre-read at 400 nm. The reaction was initiated by the addition of 10 µL of 0.5 mM substrate (p-nitrophenyl glucopyranoside). After 30 min of incubation at 37 °C, absorbance of p-nitrophenol released was measured. Acarbose was used as positive control.
6791	1	Amplex Red MAO Assay	Study medium contained 0.1 mL of sodium phosphate buffer (0.05 M, pH 7.4), various concentrations of the newly synthesized compounds or reference compounds, and adequate amounts of recombinant hMAO-A or hMAO-B. This mixture was incubated for 15 min at 37 °C in a 96-well microplate, placed in the dark fluorimeter chamber. After this incubation period, the reaction was started by adding 200 µM Amplex Red reagent, 1 U/mL horseradish peroxidase (HRP), and p-tyramine (concentration range 0.05-1.00 mm).
6792	1	DENV2 Protease Assay	To measure the inhibitory activities of the compounds, the DENV2 NS2B-NS3 protease activities were measured in the presence of the compounds using Bz-Nle-Lys-Arg-Arg-AMC as a substrate. The enzyme concentration in the assay was 125 nM, and the substrate concentration was 20 µM in 10 mM Tris-HCl pH 8.5, 20% glycerol, and 1 mM CHAPS. The inhibitor concentrations were 100 µM for the first round and between 3.125 and 400 µM for the compounds 16 and 19 in the second round. Before adding the substrate, the enzyme and the inhibitors were incubated at 37 °C for 15 min. All reactions were performed in 96-well plates with a final volume of 50 µL per each wells using the FLx800 fluorescence microplate reader (excitation = 380 nm; emission = 460 nm).
6793	1	Carbonic Anhydrase (CA) II Inhibition Assay	This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled with 140 µL of Tris-HEPES solution, 20 µL of bovine erythrocyte carbonic anhydrase II solution (0.1-0.2 mg/2000 mL), and 20 µL of 0.7 mM para-nitrophenyl acetate (diluted in ethanol). Test compounds were incubated at 25-28 °C for 15 min prior to addition of para-nitrophenyl acetate, which starts the reaction. The reaction was allowed to take place for 30 min at 25-28 °C. All compounds tested in triplicate at different concentration. Amount of product that forms during the reaction monitored at 400 nm after 30 min.
6794	1	PVdQ Inhibition Assay	Briefly, stock solutions of the colorimetric PvdQ substrate (4-nitrophenyl dodecanoate) were prepared in methanol and stock solutions of each n-alkylboronic acid inhibitor in DMSO. Continuous spectrophotometric kinetic assays were used to determine initial hydrolysis rates by mixing substrate (5 &#956;M), and n-alkylboronic acid inhibitor (ranging from 0.002&#8722;60 mM depending on the compound, typically with three concentrations above and below each IC50 value) in Na2HPO4 buffer (40 mM) at pH 8.0 and 25 °C, each reaction being made to a final 20% methanol cosolvent10 concentration in a disposable 1 mL polystyrene cuvette). Each reaction was initiated by addition of purified PvdQ (10 nM) and product formation was monitored by measuring the increase in absorbance at 402 nm continuously.
6796	1	Steady State Kinetics Assays	Steady state kinetics assays were performed on a Cary 100 UV&#8722;vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7. The Vmax and Km of the &#946;-lactam substrate nitrocefin (NCF) for ADC-7 were determined from initial steady-state velocities using this colorimetric indicator (NCF, &#916;&#949;482 = 17400 M^&#8722;1 cm^&#8722;1).
6797	1	Fluorescence Titration Assay	To assess direct binding of inhibitors to oxidized NQO2 (NQO2ox), fluorescence quenching of FAD was monitored with an excitation wavelength of 350 nm and an emission wavelength of 430 nm. NQO2 (775 or 38.75 nM) was titrated with the indicated concentrations of TBB, TBBz, and DMAT.
6797	2	Inhibition of Steady-State Catalysis Assay	To determine the IC50 value of each inhibitor, reactions were initiated by addition of 154 pM NQO2 to a reaction buffer containing 150 &#956;M SCDP and 5 &#956;M menadione with TBB (0.625&#8722;640 &#956;M), TBBz (2.5&#8722;640 nM), or DMAT (2.5&#8722;640 nM).
6798	1	Steady-State Kinetics Assay	Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as the inhibitor concentration resulting in a reduction of NCF (100 &#956;M) hydrolysis by 50%, was determined by measurements of initial velocities after 5 min preincubation of enzyme with inhibitor.
6799	1	Hemoglobin Assay	The assay mixture contained L-arginine (10 &#956;M), NADPH (100 &#956;M), oxyhemoglobin (0.125 mg/mL), tetrahydrobiopterin (10 &#956;M), and different amounts ofinhibitors. The final volume was adjusted to 600 &#956;L with 100 mM Hepes buffer (pH 7.4). The enzymatic reaction was initiated by addition of 10 &#956;L of an iNOS stock, and the rate of NO production was monitored by the change in absorbance at 401 nm in the initial 60 s on a spectrophotometer at 37 °C.
6800	1	Circular Dichroism (CD) Based Assays	MR activity was assayed using a CD-based assay by following the change in ellipticity of mandelate at 262 nm using a thermostated quartz cuvette with a 1-cm light path (unless otherwise indicated) as described by Sharp et al. Allassays (total volume of 2 mL) were conducted at 25 °C in Na+ HEPES buffer (0.1 M, pH 7.5) containing MgCl2 (3.3 mM), BSA [0.005% (w/v)], and (R)-mandelate as the substrate. The concentration of MR was determined from its absorbance at 280 nm using an extinction coefficient of 53400 M^&#8722;1 cm^&#8722;1.
6801	1	Eis Ban Inhibition Assay	Briefly, reactions (200 &#956;L) contained compounds 1&#8722;3 dissolved in Tris-HCl buffer (50 mM, pH 8.0, 10% DMSO) with a 5-fold serial dilution, Eis_Ban enzyme (0.25 &#956;M), and NEO (100 &#956;M), AcCoA (0.5 mM), and DTNB (2 mM). Reagents were added in a stepwise manner, allowing the enzyme to incubate with the inhibitor and NEO, and the reactions were initiated with the AcCoA in solution with DTNB. The reactions were monitored as described for the kinetic analysis.
6802	1	Imidazole Spin Shift Assay	In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a function of inhibitor concentration.
6803	1	SpeB and Papain Kinetic Assay	SpeB was incubated at 50 nM in the presence of increasing amounts of inhibitor (3 &#956;M to 200 &#956;M) in a reaction buffer consisting of PBS at pH 7.4, 0.1 mM EDTA, 10 mMDTT, and 0.1% CHAPS and incubated for 30 min at 25 °C. Fifty micromolar Ac-AIK-AMC was subsequently added, and the rate of substrate hydrolysis was measured by increase in fluorescence every 20 s for a 5 min duration in 96-well plates on a PerkinElmer EnVision plate reader.
6804	1	APAH Fluorimetric Assay	Activity assays were conducted at 25 °C and contained 250 nM APAH (&#8764;50% Zn2+ occupancy), 150 &#956;M substrate, and 0&#8722;250 &#956;M inhibitor in assay buffer [25 mM Tris (pH 8.2), 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2] in a final volume of 50 &#956;L. Enzyme was first incubated with the inhibitor for 5 min before the reaction was initiated with substrate; the most potent inhibitor, compound 6, was also evaluated after incubation for 30 and 60 min to assess the possibility of time-dependent inhibition. After 30 min, reactions were quenched by adding 100 &#956;M M344 (Sigma-Aldrich) and the appropriate Fluor-de-Lys developer (BML-KI105, Enzo Life Sciences, 50 &#956;L). Fluorescence was measured after 45 min using a Fluoroskan II plate reader (excitation at 355 nm, emission at 460 nm).
6804	2	HDAC8 Fluorimetric Assay	Activity assays were conducted at 25 °C and contained 500 nM HDAC8 enzyme, 150 &#956;M Ac-Arg-His-Lys(Ac)-Lys(Ac)-aminomethylcoumarin substrate (BML-KI178, Enzo Life Sciences), and 0&#8722;10 mM inhibitor in assay buffer [25 mM Tris (pH 8.2), 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2; 250 &#956;M tris(2-carboxyethyl)phosphine was added for the assay of thiol compound 2] in a final volume of 50 &#956;L. Enzyme was first incubated with inhibitor for 5 min before the reaction was initiated with substrate; the most potent inhibitor, compound 1, was also evaluated after incubation for 30 and 60 min to assess the possibility of time-dependent inhibition. After 30 min, reactions were quenched by adding 100 &#956;M M344 (Sigma-Aldrich) and the appropriate Fluor-de-Lys developer (BMLKI176, Enzo Life Sciences, 50 &#956;L). Fluorescence was measured after 45 min using a Fluoroskan II plate reader (excitation at 355 nm, emission at 460 nm).
6805	1	Steady State Kinetics	Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlength cuvette. Inhibitor kinetics were performed using nitrocefin (NCF) as a reporter substrate (&#916;&#949;482 = 17400 M^&#8722;1cm^&#8722;1). Production formation from NCF hydrolysis at an initial concentration of 100 &#956;M in the presence of 0.05 &#956;g/mL BlaC was assessed at 482 nm over a period of 300 s.
6806	1	Cell-Free Assay	The enzyme activity of 5-LOX was determined fluorescence spectrophotometrically by oxidation of the substrate H2DCFDA to the highly fluorescent 2&#39;,7&#39;-dichlorofluorescein product during 5-LOX s catalytic reaction . The reactions were initiated by the addition of AA as substrate and then monitored by excitation at 500 nm and emission at 520 nm utilizing a multiwall fluorometer. Fluorescence signals were recorded for 5 min with a kinetics mode program. Inhibition activities were measured as described previously. All inhibition values were tested at the concentration of 91 µM. Zileuton (reported IC50 = 0.9 µM) was used as positive control.
6807	1	Fluorescence Polarization Assay (FPA)	Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL BSA, 50 nM of recombinant Hsp90&#945; protein, 5 nM of GA-FITC, and varying concentrations of tested compounds or GA were added in a low-binding black 96-well plates. After incubation for 5 h, plates were read on Omega POLARstar Multi-Mode Microplate Reader with excitation at 485 nm and emission at 520 nm.
6808	1	Molecular Docking	The atomic co-ordinates of CK2&#945; were retrieved from the Protein Data Bank [PDB ID: 3PE1] by deleting the heteroatoms except for water molecules within 6.5 of the ligand. Compounds 12, 23, 10, and 27 were constructed with the SYBYL 8.1 programa using compound CX-4945 as the template and were energy minimized with the Tripos force field. The chemical structures and IC50 values of the tricyclic quinoline analogs are shown in Figure 1. Four compounds were docked into the active site of CK2&#945; using the molecular docking program Genetic Optimization for Ligand Docking (GOLD) version 3.0. The active site of CK2&#945; was defined as a 6.5- -radius sphere centered on CX-4945, which comprise all complete amino acids there in. The crystal structure of CK2a in complex with compound CX-4945 was used to optimize docking parameters and evaluate the reliability of the docking methods. The standard default genetic algorithm (GA) parameters were used for all calculations and applied to predi
6809	1	15LO Inhibition Assay	Linoleic acid and two assay solutions (A and B) were prepared in advance. Solution A was 50 mM 3-(dimethylamino)benzoic acid (DMAB) in a 100 mM phosphate buffer (pH 7.0). Solution B was a mixture of 10 mM 3-methyl-2-benzothiazolinone (MBTH) 3 mL, hemoglobin (5 mg/mL, 3 mL) in 50 mM phosphate buffer at pH 5.0 (25 mL). A linoleic acid solution was prepared by mixing 5 mg of linoleic acid with 50 mg Tween-20 in 3 mL water and then diluting with KOH 100 mM to a final volume of 5 mL. In the standard assay, the sample in ethanol (25 mL), soybean 15-lipo-oxygenase (SLO) (4000 units/mL in 50 mM phosphate buffer pH 7.0; 25 mL) and phosphate buffer pH 7.0 (50 mM; 900 mL) were mixed in a test-tube, and preincubation was carried out for 5 min at room temperature. A control test was done with the same volume of ethanol. After the preincubation, linoleic acid solution (50 mL) was added to start the peroxidation reaction, and 7 min later,solution A (270 mL) and then solution B (130 mL) was added to 
6810	1	In vitro Urease Inhibition Assay	Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2HPO4, 1 mM EDTA, and 0.01 mM LiCl2, pH 8.2), 10 µL of enzyme (5 U/mL), 10 µL of test compound, 40 µL each of phenol reagents (1%, w/v phenol and 0.005%, w/v sodium nitroprusside), and alkali reagent (0.5%, w/v NaOH and 0.1% active chloride NaOCl). Initially, urease enzyme and the test compound were incubated in the assay buffer for 30 minutes (in a linear reaction range) at 37 °C, 40 µL of phenol and alkali reagents were added to stop the reaction. Enzyme assays were performed in 96-well plates, and a microplate reader was used to read the absorbance at 625 nm. All the assays were performed in triplicate.
6811	1	In vitro EGFR TK Inhibition Assays	The experiments were performed according to the instructions of the manufacturer. The EGFR TK activity was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). It measures kinase activity by quantitating the amount of ATP remaining in solution following a kinase reaction. The luminescent signal from the assay is correlated with the amount of ATP present and is inversely correlated with the amount of kinase activity. Briefly, 96-well plates were precoated with EGFR, EGF, and tested compound in a ratio of 2:2:1 that were added.The reaction mixtures were incubated for 40 min at room temperature while being shaken. After completion of the reaction, 20 µL of ADP-GloTM Plus Luminescence kinase assay solution were added, incubate the plate for 30 min at room temperature. The corrected activity for each protein kinase target was determined by removing the blank control value. Luminescence signal was measured using aTecan Infinite Spectramax M2e microplate reader.
6812	1	Radioligand Binding Assays	The composition of the assay buffers was as follows: for 5-HT1AR: 50 mM Tris HCl, 0.1 mM EDTA, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate; for 5-HT6R: 50 mM Tris HCl, 0.5 mM EDTA, and 4 mM MgCl2; and for 5-HT7bR: 50 mM Tris HCl, 4 mM MgCl2, 10 lM pargyline, and 0.1% ascorbate. All assays were incubated in a total volume of 200 µL in 96-well microtiter plates for 1 h at 37 °C, except for 5-HT1AR which were incubated at room temperature for 1 h. The process of equilibration is terminated by rapid filtration through Unifilter plates with a 96-well cell harvester, and radioactivity retained on the filters was quantified on a Microbeta plate reader. For displacement studies, the assay samples contained as radioligands: 1.5 nM [3H]8-OH-DPAT (187 Ci/mM) for 5-HT1AR; 2 nM[3H]LSD (85.2 Ci/mM for 5-HT6R or 0.6 nM [3H]5-CT (39.2 Ci/mM) for 5-HT7R. Non-specific binding was defined with 10 µM of 5-HT in 5-HT1AR and 5-HT7R binding experiments, whereas 10 µM methiothepin was used in 5-HT6R assa
6813	1	Fluorescent ACAT Assay	HepG2 cells were cultured in low-glucose DMEM supplement with 100 U/mL streptomycin and penicillin. Twenty thousand cells were plated per well on 96-well culture plates and grew overnight at 37 °C. Cells were incubated in medium containing either different samples, Sandoz 58-035 (positive control) or without sample (negative control and blank control) for 1 h. Then, NBD-cholesterol with final concentration of 2 µg/mL was added into the medium except for blank control and incubated overnight. NBDcholesterol was added from a 1 mg/mL stock in ethanol, and ethanol concentrations did not exceed 0.1%. After incubation, medium was removed, and the cells were washed three times with 20 µL PBS buffer. Plates were read fluorescence from the bottom using WALLAC Victor 2plate reader (PerkinElmer, Waltham, MA, USA) equipped with 485-nm excitation and 535-nm emission filters.
6814	1	In vitro DPP-IV Inhibitory Assay	DPP-IV inhibitory activity was determined by measuring the p-nitroaniline (pNA) released from the chromogenic substrate hydrolysis (H-Gly-Pro-pNA). The DPP-IV Drug Discovery Kit-BML-AK 499 used for assay was taken from Enzo Life Sciences International, Inc., Plymouth Meeting, PA, USA. The DPP-IV inhibitor P32/98 was selected as standard inhibitor. The assay was carried out in 96-well flat-bottomed microtiter plates. The stock solutions of the test compounds were prepared in DMSO and diluted in buffers (50 mM Tris HCl) to final concentrations ranging from 10 to 1000 µM in the assay. 10 µl of each compounds was added in each reaction well. The final concentration of DMSO in the assay well is 1% whichis found to have no demonstrable effect on DPP-IV enzyme activity. The control well of the assay contains assay buffer, DPP-IV enzyme and substrate; assay wellcontains assay buffer, DPP-IV enzyme, inhibitor, and substrate. After addition of assay components in the assay well, the plate was i
6815	1	In vitro Cyclooxygenase Inhibition Assay	Reaction mixtures were prepared in 100 mM Tris HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath (37 C). The reaction was initiated by the addition of 10 mM arachidonic acid (&#64257;nal concentration in reaction mixture 100 µM). After 2 min, the reaction was terminated by adding 1 M HCl and PGE was quantitated by an ELISA method. The test compounds were dissolved in DMSO and diluted to the desired concentrations with 100 mM potassium phosphate buffer (pH 7.4). Following transfer to a 96-well plate coated with mouse anti-rabbit IgG, the tracer prostaglandin acetylcholine esterase and primary antibody (mouse anti PGE2) were added. Plates were then incubated at room temperature overnight, reaction mixtures were removed and wells were washed with 10 mM potassium phosphate buffer containing 0.05% Tween 20. Ellman s reagent (200 µM) was added to each well and the plate was incubated at room temperature (exclusion of light) for 60 min, unt
6816	1	Inhibition Assay	The in vitro inhibitory activity of compounds against human MOGAT-2 is evaluated in this assay. MOGAT-2 transfers an oleoyl group to monooleoyl-glycerol (MAG) from oleoyl-CoA to form dioleoyl-glycerol (DAG) in the intestinal triglyceride resynthesis pathway. The assay takes advantage of Microscint E extraction, which extracts hydrophobic molecules selectively over hydrophilic ones to separate the 14C-oleoyl-CoA from 14C-DAG.Genetically engineered insect SF9 cells express human MOGAT-2. Prepare the cell lysate in 20 mM of NaCl with protease inhibitor (Roche Cat#11873580001). Homogenize the SF9 cells expressing human MOGAT-2 at 15,000 rpm for 20x2 seconds (PT-3100 Polytrone). Centrifuge the homogenate at 1000 g for 10 minutes at 4 C. Collect the supernatant into a separate tube for protein quantification and activity testing. Purify the glycerol monooleate substrate (Spectrum Chemical, CAS#25496-72-4) chromatographically.
6817	1	Receptor Binding Assay	Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper was purchased from Whatman Company; Tris was imported and divided into aliquots; PPO, POPOP were purchased from Shanghai No. 1 Reagent Factory; lipid-soluble scintillation solution. Beckman LS-6500 Multi-function Liquid Scintillation Counter was used.Procedures(1) The prepared membrane was first applied with appropriate amount of buffer (0.05 M Tris-HCl buffer, containing 0.1% ascorbic acid, 10 um pargyline and 4 mM CaCl2), and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer (0.05 M Tris-HCl buffer, containing 0.1% ascorbic acid, 10 um pargyline and 4 mM CaCl2) were added into each reaction tube.
6817	2	Receptor Binding Assay	Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purchased from RBI Company; GF/C glass fiber filter paper was purchased from Whatman Company; Tris was imported and divided into aliquots; PPO, POPOP were purchased from Shanghai No. 1 Reagent Factory; lipid-soluble scintillation solution. Beckman LS-6500 Multi-function Liquid Scintillation Counter was used.Procedures(1) The prepared membrane was first applied with appropriate amount of buffer (0.05 M Tris-HCl buffer: 6.05 g of Tris was dissolved in 1000 ml of double-distilled water, and concentrated HCl was used to adjust to pH 7.5), and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer.
6818	1	Inhibition Assay	Preparation of rhACC1. Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-cold lysis buffer (25 mM Tris, pH 7.5; 150 mM NaCl; 10% glycerol; 5 mM imidazole (EMD Bioscience; Gibbstown, N.J.); 2 mM TCEP (BioVectra; Charlottetown, Canada); Benzonase nuclease (10000 U/100 g cell paste; Novagen; Madison, Wis.); EDTA-free protease inhibitor cocktail (1 tab/50 mL; Roche Diagnostics; Mannheim, Germany). Cells were lysed by 3 cycles of freeze-thaw and centrifuged at 40,000xg for 40 minutes (4 C.). Supernatant was directly loaded onto a HisTrap FF crude column (GE Healthcare; Piscataway, N.J.) and eluted with an imidazole gradient up to 0.5 M over 20 column volumes (CV). ACC1-containing fractions were pooled and diluted 1:5 with 25 mM Tris, pH 7.5, 2 mM TCEP, 10% glycerol and direct loaded onto a CaptoQ (GE Healthcare) column and eluted with an NaCl gradient up to 1 M over 20 CV's.
6818	2	Inhibition Assay	Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC2 was purchased from Cambridge Bioscience Limited and was sequenced and subcloned into PCDNA5 FRT TO-TOPO (Invitrogen, Carlsbad, Calif.). The ACC2 was expressed in CHO cells by tetracycline induction and harvested in 5 liters of DMEM/F12 with glutamine, biotin, hygromycin and blasticidin with 1 ug/mL tetracycline (Invitrogen, Carlsbad, Calif.). The conditioned medium containing ACC2 was then applied to a Softlink Soft Release Avidin column (Promega, Madison, Wis.) and eluted with 5 mM biotin. 4 mgs of ACC2 were eluted at a concentration of 0.05 mg/mL (determined by A280) with an estimated purity of 95% (determined by A280). The purified ACC2 was dialyzed in 50 mM Tris, 200 mM NaCl, 4 mM DTT, 2 mM EDTA, and 5% glycerol. The pooled protein was frozen and stored at -80 C., with no loss of activity upon thawing.
6819	1	Inhibition Assay	The activity of the inhibitors is measured using a lysate of B16F1 cells (murine melanoma line). In the presence of the L-tyrosine substrate, the tyrosinase present in these cells catalyses the hydroxylation of L-tyrosine to give L-DOPA and then the oxidation of the L-DOPA to give dopaquinone. In the presence of MBTH (3-methyl-2-benzothiazolinone hydrazone), the dopaquinone is trapped so as to form a pink complex which absorbs at 520 nm.The B16F1 cells are cultured in DMEM medium+10% foetal calf serum+10-9 M alpha -MSH for 4 days at 37 C. under 7% CO2. They are treated with trypsin, washed in PBS, counted and pelleted. The pellet is taken up at 107 cells/ml in lysis buffer (10 mM sodium phosphate, pH 6.8-1% Igepal) and the suspension is treated with ultrasound for 10 seconds. After centrifugation for 30 minutes at 4000 rpm, the supernatant obtained constitutes the cell lysate used as tyrosinase source in the enzymatic assay. The assays are carried out in duplicate in 384-well plates.
6820	1	Inhibition Assay	Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasurio Yonetoky et. al Bio. & Med. Chem. 14 (2006) 4750-4760). Cells were centrifuged and resuspended in equal volumes  f Ca2+ and Mg2+ free Hanks buffer and Fluo-8 NW dye (ABD Bioquest, Inc., Sunnyvale, Calif.) loading solution at 2x105 cells/100 ul/well in 96-well black plate. Plate is incubated at 37 C./5% CO2 for 30 mM followed by further 15 mM incubation at room temperature. Test compounds (DMSO stocks diluted in Ca2+ and Mg2+ free Hanks buffer) at desired concentrations were added to the wells and incubated for 15 mM. Thapsigargin (1 uM final concentration) was added to the wells and incubated for 15 min to inhibit the Sarco-endoplasmic reticulum Ca2+ ATPase pump thereby depleting endoplasmic calcium and raising cytosolic calcium concentrations. Store-operated calcium entry was initiated by adding extracellular Ca2+.
6821	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence) assay in which recombinant GST-tagged MDM2 binds to a peptide that resembles the MDM2-interacting region of p53 (Lane et al.). Binding of GST-MDM2 protein and p53-peptide (biotinylated on its N-terminal end) is registered by the FRET (fluorescence resonance energy transfer) between Europium (Eu)-labeled anti-GST antibody and streptavidin-conjugated Allophycocyanin (APC).Test is performed in black flat-bottom 384-well plates (Costar) in a total volume of 40 uL containing 90 nM biotinylate peptide, 160 ng/ml GST-MDM2, 20 nM streptavidin-APC (PerkinElmerWallac), 2 nM Eu-labeled anti-GST-antibody (PerkinElmerWallac), 0.02% bovine serum albumin (BSA), 1 mM dithiothreitol (DTT) and 20 mM Tris-borate saline (TBS) buffer as follows: Add 10 uL of GST-MDM2 (640 ng/ml working solution) in reaction buffer to each well.
6822	1	Inhibition Assay	Test compounds were dissolved in DMSO (Wako) at 40 mM concentration and then diluted to intended concentrations with phosphate-buffered saline (PBS).  Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 well plates at 50 &#956;L/well. In addition, test compounds diluted with PBS were added at 50 &#956;L/well. Xanthine (Wako) at 200 &#956;M prepared with PBS was added at 100 &#956;L/well, and the reaction was conducted for 10 minutes at room temperature. Absorbance at 290 nm was measured using a microplate reader SpectraMax Plus 384 (Molecular device). The absorbance under a condition without xanthine is 0%, and control without test compounds is 100%. 
6823	1	Inhibition Assay	Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 &#956;M) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 &#956;M. Substrate hydrolysis leads to an increase fluorescence lifetime (FLT) of PT14 measured by the means of a FLT reader as described by Doering et al. (2009). The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature.
6825	1	Binding Assay	Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH-1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 &#956;g protein) were incubated for 60 min at 25° C. with 1.4 &#956;M of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 &#956;M 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. 
6826	1	Aurora B Kinase Assay	The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The substrate for phosphorylation, AlaLysArgArgArgLeuSerSerLeuArgAla, was 30 µM and the concentration of ATP was 10 µM. All experiments were repeated three times at four different concentrations (0, 5, 10, and 40 µM).
6827	1	In vitro LSD1 Inhibition Assay	Briefly, the compounds in DMSO were added into the LSD1 in the reaction buffer consisting of 50 mM Tris HCl, pH 7.5, and 1% DMSO, using Acoustic Technology (Echo 550) in nanoliter range and incubated for 15 min at room temperature. The reactions were initiated by adding peptide substrate [10 µM Histone H3 (1 21) K4me2 peptide (AnaSpec, San Jose, CA, USA)] to the reaction mixtures and incubated for 60 min at room temperature. The reactions were terminated by the addition of the detection mixture consisting final concentration of 0.1 Unit/mL horseradish peroxidase (Sigma, San Jose, CA, USA) and 10 µM Amplex UltraRed (Life Technologies, Grand Island, NY, USA) and fluorescence at Ex/Em = 535/590 nm was measured with kinetic mode of 5 min interval in envision for 30 min.
6827	2	In vitro MAOA and MAOB Inhibition Assay	The MAO-A and MAO-B screening biochemical assay was completed by Reaction Biology Corp. with the same assay format with LSD1 assay, and the detailed protocol waspresented as followed. The compounds in DMSO were added into the MAO-A or MAO-B (Sigma) in the reaction buffer as above, and the reactions were initiated by adding substrate [10 µM Histone Tyramine (Sigma)] to the reaction mixtures and incubated for 60 min at room temperature.
6828	1	Monoamine Oxidase Inhibition Assay	Briefly, a crude rat brain mitochondrial suspension (male Sprague Dawley rats weighing 180 220 g, killed by decapitation) was used as protein source. Serotonin(5-HT, 100 µM) and 4-dimethylaminophenethylamine (DMAPEA, 5 µM) were used as selective substrates for MAO-A and MAO-B, respectively. The reaction mixtures were analyzed with a Merck-Hitachi HPLC (Tokyo, Japan), employing a C18 reverse phase column (Lichrospher 250 9 4.6 mm, 5 µm) and an amperometric detector (Merck Recipe L3500A). Tetrahydrofuran and acetonitrile (Merck) were used as eluents.
6829	1	sPLA2V Activity Assay	Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiols. These thiols activated the conversion of DTNB (5,5&#150;dithio-bis-(2-nitrobenzoic acid) to 2-nitro-5-thiobenzoic acid, which was photometrically detected at 405 nm. After this, the assay proceeded in an aqueous buffer solution (pH 7.5) containing KCl (94 mM), CaCl2 (9 mM), Tris (24 mM), and Triton-X 100 (280 BM). Before the assay was started, substrate and PLA2-V was resuspended in assay buffer whereas DTNB was dissolved in an aqueous solution of Tris-HCl (pH 8) yielding an enzyme and DTNB concentrations of 100 ng/mL and 87 BM, respectively. 96-well micro titre plates containing substrate solution, DTNB, and the respective test substance were used to carry out assays at room temperature.
6829	2	Cyclooxygenase Assay	100 mM Tris HCl buffer, pH 8.0 containing 1 µM heme and COX-1 (ovine) or COX-2(human recombinant), which was preincubated for 10 min in a water bath at 37 °C was used for reaction mixture preparation. Addition of 10 µL arachidonic acid to the reaction mixture (final concentration 100 µM) was used to initiate reaction. After 2 min reaction was stopped by addition of 1 M HCl. PGE2 in the reaction mixture was determined using ELISA method. 100 mM potassium phosphate buffer (pH 7.4) was used to dilute the DMSO stock solutions of the test compounds to the desired concentration. This reaction mixture was transferred to a 96-well platethat was precoated with a mouse anti-rabbit IgG. Tracer prostaglandin acetylcholine esterase and primary antibody (mouse anti PGE2) were also added to the plates followed by overnight incubation at room temperature. After overnightincubation, reaction mixtures were pipetted out and the wells were washed with 10 mM potassium phosphate buffer containing 0.05% Twe
6831	1	Fluorophore Displacement Assay	Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450550 nm following excitation at 400 nm while for DAUDA binding was measured between 450600 nm following excitation at 335 nm. Spectrophotometer slit widths were set to 5 and 10 nm for the excitation and emission monochromators, respectively. DAUDA (0.025 mM) and ANS (0.25 mM) were titrated into a hIFABP solution at a protein concentration of 0.5 u1 &#956;M in buffer (20 mM MES pH 5.5, 50 mM NaCl) at 20 C
6831	2	ITC Titration	ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 &#956;L) at 37 C with stirring at 1000 rpm. Depending on the solubility of the samples, protein was placed in the cell or the syringe for the titration. Compounds that were readily solubilized (ANS, ketorolac and fenofibric acid) were diluted from concentrated stocks in identical buffer (20 mM HEPES pH 8, 50 mM NaCl, 0.5 mM EDTA), and placed in the titration syringe and hIFABP was place in the sample cell. In the case of compounds with limited solubility (DAUDA, GW7647 and L165041), hIFABP was placed in the titration syringe and concentrated stocks of the compounds in DMSO were diluted in identical buffer and placed in the sample cell while maintaining 0.5% of DMSO solvent. Typically, 16 serial injections at intervals of 220 s were made with continuous stirring of the solution in the sample cell
6832	1	DPPS Inhibition (GPP based) Assay	We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS was monitored using a continuous spectrophotometric assay for diphosphate release in 96-well plates with 200 µL reaction mixtures containing 400 µM 2-amino-6-mercapto-7-methylpurine (MESG), 25 µM GPP, cis-FPP or trans-FPP, 200 µM IPP, 25 mM Tris-HCl (pH 7.5), 0.01% Triton-X-100, and 1 mM MgCl2.
6832	2	DPPS Inhibition (cis FPP based) Assay	We screened an in-house library of 19 compounds using cis-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS was monitored using a continuous spectrophotometric assay for diphosphate release in 96-well plates with 200 µL reaction mixtures containing 400 µM 2-amino-6-mercapto-7-methylpurine (MESG), 25 µM GPP, cis-FPP or trans-FPP, 200 µM IPP, 25 mM Tris-HCl (pH 7.5), 0.01% Triton-X-100, and 1 mM MgCl2.
6832	3	DPPS Inhibition (trans FPP based) Assay	We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS was monitored using a continuous spectrophotometric assay for diphosphate release in 96-well plates with 200 µL reaction mixtures containing 400 µM 2-amino-6-mercapto-7-methylpurine (MESG), 25 µM GPP, cis-FPP or trans-FPP, 200 µM IPP, 25 mM Tris-HCl (pH 7.5), 0.01% Triton-X-100, and 1 mM MgCl2.
6832	4	Rv3378c Inhibition Assay	For inhibition assay of Rv3378c, using tuberculosinyl diphosphate and adenosine as substrates, a mixture of 100 µM TPP, 100 µM adenosine,75 µg/mL Rv3378c, and inhibitors in the assay buffer (25 mM Tris-HCl, 1 mM MgCl2, 0.01% Triton-X-100) was incubated for 2 h at 37 °C.
6832	5	Radiometric Assay	The IC50 values for the most active hits were verified by radiometric assay as follows. A mixture of 15 µM cis-FPP, 100 nM DPPS, and inhibitors in the assay buffer (25 mM Tris-HCl, 1 mM MgCl2, 0.01% Triton-X-100) was incubated for 10 min at 25 °C. 1.8 µL of 25 µM IPP (1% 1-3H IPP, 15 µCi/mL, American Radiolabeled Chemicals, Inc.) was then added. The reaction was incubated at 37 °C for 10 min before quenching with 500 µL saturated NaCl solution. The saline solution was extracted with 500 µL butanol by vortexing, and 300 µL of the organic layer was transferred into scintillation vial for radiation readout.
6833	1	Akt1 Inhibitory Activity Assay	In vitro kinase assays were carried out using HTScan PKB/Akt1 Kinase Assay kit (Cell Signaling Technology). Active recombinant Akt1 kinase (GST fusion protein, 4 ng) in 8 µL of 2.5× kinase buffer [62.5 mM Tris-HCl (pH 7.5), 25 mM MgCl2, 12.5 mM &#946;-glycerophosphate, 0.25 mM Na3VO4, 5 mM dithiothreitol (DTT)] was mixed with 2 µL of dimethyl sulfoxide (DMSO) vehicle or each of the compound (indicated concentrations), incubated at room temperature for 5 min, and 10 µL of ATP/substrate cocktail (20 mM ATP, 3 mM eNOS served as substrate) was added.After incubation at room temperature for 30 min, add 20 µL of 50mM ethylenediaminetetraacetic acid (EDTA) (pH 8.0) and terminate the reaction. Then, PKB/Akt1 kinase activity was analyzed according to the manufacturer&#39;s instructions.
6834	1	IC50 Assay	The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, ammonium sulfate precipitated 5-LOX were carried out in 25 mM HEPES (pH 7.3), 0.3 mM CaCl2, 0.1 mM EDTA, 0.2 mM ATP, 0.01% Triton-X-100, and 10 lM AA. The concentrations of AA for 5-LOX assays were quantitatively determined by allowing the enzymatic reaction to go to completion.
6834	2	COX1 and COX2 Inhibition Assay	Approximately 2 µg of either COX-1 or COX-2 was added to buffer containing 100 µM AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 µM hematin at 37 °C.Inhibitors were incubated with the respective COX isozyme for 20 min and added to the reaction mixture, and the rate of oxygen consumption was recorded. Ibuprofen, aspirin, and the carrier solvent, DMSO, were used as positive and negative controls, respectively
6835	1	MMP2 Inhibition Assay	The synthesized compounds were assayed for the inhibitory activities against MMP-2 in 96-well microtiter plates using succinylated gelatin as the substrate. The compound and enzyme were dissolved in sodium borate buffer (pH 8.5, 50 mM) and incubated at 37 °C for 30 min. The substrate was added and incubated at 37 °C for another 60 min. The 100% and blank groups were also carried out, in which the 100% group contained not compound and the blank group contained only the enzyme. Then, 0.03% picrylsulfonic acid solution was added and incubated at room temperature for additional 20 min. The resulting solutions were measured under 450 nm.
6835	2	MMP12 Inhibition Assay	The synthesized compounds were assayed for the inhibitory activities against MMP-12 in 96-well microtiter plates using thiopeptolide as the substrate. MMP-12 was diluted in Assay buffer (50 mM Tris pH7.5, 0.05% Brij-35, 10 mM CaCl2, 1 mM DTNB) to a concentration of 0.007 U/µL. The MMP-12 solution (44 µL) was premixed with 1 µL of inhibitors dissolved in DMSO in a 96-well plate, and the mixture was incubated for 20 min at room temperature. Then, 5 µL of 1 mM MMP chromogenic substrate (thiopeptolide) was added to the mixture, and the reaction mixture was incubated for 30-80 min at 37 °C. Reaction was terminated by adding 7 µL of 0.2 M EDTA (pH 8.0). The intensity of the color developed by the digested substrate was measuredat 405 nm.
6836	1	TbrPDEB1 Enzyme Assay	In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25µM cAMP (Enzo Lifesciences) and an excess of 5 endonucleotidase (>1000U) at 37 °C. Excess amount of 5 endonucleotidase was determined by titration (Enzo Lifesciences). Reactions were terminated by the addition of BioMol green (Enzo Lifesciences) which was also used to detect changes in the level of phosphate. This was measured by absorbance at 620 nm using a Tecan Sunrise plate reader. All screens were carried at a final concentration of 2% (v/v) DMSO and all IC50 experiments were carried out at 10% (v/v) DMSO. Inhibitors were preincubated with the assay mixture for 5 min prior to the addition of substrate. Inhibition was determined by the change in the initial velocity relative to a vehicle only control for both compound screening and for the determination of IC50 values. Initial velocity was determined by linear regression and IC50 values were calculated 
6836	2	Human PDE4B Biochemical Assay	This assay was performed at Takeda Pharmaceuticals using methods previously reported.
6837	1	Fluorescent-Based (Inhibitor) Screening Assay	Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of 1, 2 and 3 amines. In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescent-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropamamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAOs activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 uL. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in triplicate within the same experiment.
6837	2	Amplex Red Peroxide/Peroxidase-Coupled Assay	The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be tested as follows. Human recombinant LSD1 protein was purchased from BPS Bioscience Inc. In order to monitor LSD1 enzymatic activity and/or its inhibition rate by our inhibitor(s) of interest, di-methylated H3-K4 peptide (Millipore) was chosen as a substrate. The demethylase activity was estimated, under aerobic conditions, by measuring the release of H2O2 produced during the catalytic process, using the Amplex Red peroxide/peroxidase-coupled assay kit (Invitrogen).Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (from 0 to 75 uM, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in triplicate.
6838	1	Enzyme Inhibition Assay	The tests are carried out as follows: the enzyme to be assayed was purified, for example by affinity chromatography on agarose beads. The catalytic activity was measured using radiolabeled ATP, at a standard final concentration. The test compounds were added at various concentrations making it possible to establish dose-response curves (activity of the enzyme as a function of the concentration). 
6839	1	Inhibition Assay	The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH 6.0 with HCl.  Assay Conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM).
6840	1	Inhitbition Assay	48.5 .mu.L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=.epsilon.-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Costar), and after addition of 0.5 .mu.l of the test compound (dissolved in N,N'-dimethyl formaldehyde) and 1 .mu.l of Recombinant human BACE1(R&D Systems), the reaction mixture was incubated at 30.degree. C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE1 were adjusted to 18 nmol/L and 7.4 nmol/L, respectively, and the reaction was performed in sodium acetate buffer (50 mmol/L sodium acetate, pH 5.0, 0.008% Triton X-100).After the incubation for reaction, 50 .mu.l of 8.0 .mu.g/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer.
6841	1	Binding Assay	The principle behind this assay is based upon the binding and displacement of an Alexa Fluor 647-labeled tracer to the kinase of interest. Binding of the tracer to the kinase is detected using an EU-labeled anti-tag antibody. Simultaneous binding of both the tracer and antibody to the kinase gives rise to a FRET-signal. Binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET-signal. At first a compound according to formula (I) was diluted in 20 mM Hepes pH 8.0, 1 mM DTT, 10 mM MgCl2 and 0.01% Brij35. Next Axl kinase (5 nM final concentration; Proqinase), kinase tracer (15 nM final concentration; Invitrogen) and LanthaScreen Eu-Anti-GST antibody (2 nM final concentration; Invitrogen) was mixed with suitable compound dilutions and incubated for 1 hour. FRET-signal was quantified employing an EnVision Multilabelreader 2104 (Perkin Elmer).
6842	1	Inhibition Assay	The inhibitory activity of the enzyme acetylcholinesterase (AChE) was evaluated by the Ellman method (Biochem. Pharmacol. 1961, 7, 88) using an electric eel as an AChE neuronal model (Electrophorus electricus) and acetylthiocholine iodide (0.35 mM) as substrate. The reaction took place in a final volume of 3 mL of a 0.1 M phosphate buffer solution, pH 8.0, containing 0.035 units of AChE and used a 0.35 mM solution of 5,5'-dithio-bis(2-nitrobenzoic acid) (DTNB) to produce the 5-thio-2-nitrobenzoic acid anion. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 10 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the AChE activity. After this time, the substrate was added to 0.35 mM acetylthiocholine iodide, from a 10 mM stock solution. Loss of color was observed at 412 nm in a spectrophotometric reader having 96 well plates.
6842	2	Inhibition Assay	The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) using a purification of rat liver mitochondria as the source of enzymes. The inhibitory activity of MAO-B was compared to 25 ul of [14C]-phenylethylamine (PEA), 20 uM of activity, 2.5 mCi/mmol. The inhibitory activity of MAO-A was compared to 25 ul of [14C]-(5-hydroxytriptamine) (5-HT), 100 uM of activity, 0.5 mCi/mmol. Inhibition curves were performed in triplicate by incubating at least nine inhibitor concentrations for 30 min. A triplicate sample without inhibitor was always present so as to be aware of 100% of the MAO activity. The reaction took place with the addition of the substrate in a final volume of 225 ul of 50 mM phosphate buffer, pH 7.4, containing 20 ul of rat liver mitochondria at a concentration of 5 mg/ml. The reaction was carried out under continuous stirring at 37 C. for 4 minutes.
6843	1	Inhibition Assay	The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 25 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22 ° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM.
6843	2	Inhibition Assay	The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 5 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22 ° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM.
6844	1	Binding Assay	Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4 C.] at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000xg, 4 C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000xg, 4 C., 10 mM). The two supernatants are combined and centrifuged (15 000xg, 4 C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is washed twice with binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and centrifuged (15 000xg, 4 C., 30 min).The P2 membranes are resuspended in binding buffer and incubated in a volume of 250 ul (amount of membrane protein 0.1-0.5 mg) in the presence of 1-5 nM [3H]methyllycaconitine, 0.1% (w/v) BSA (bovine serum albumin) and various concentrations of the test substance.
6845	1	Inhibition Assay	Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH 7.4, 0.01% Tween 20 in a final volume of 50 ul using 384-well plates. After 60 min of pre-incubation of compound with ALDH2 and formaldehyde, the reaction was started by adding NAD+ and the reaction mixture was allowed to proceed for 90 minutes. Activity of the enzyme was determined by monitoring NADH formation using Perkin-Elmer Envision Reader with excitation and emission wavelengths set at 340 and 460 nm, respectively.
6845	2	Inhibition Assay	MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with eserase. Standard MAO reaction mixtures included microsome contained MAO-A (2 ug) or MAO-B (10 ug), 160 uM substrate for MAO-A or 16 uM substrate for MAO-B, MAO-A buffer (100 mM Hepes buffer, pH 7.5, 5% glycerol) or MAO-B buffer (100 mM Hepes, pH 7.5, 5% glycerol, 10% dimethyl sulfoxide) in a final volume of 30 ul. After 20 minutes of pre-incubation of the enzyme with compounds, the reaction was initiated by adding enzyme substrate and the reaction was allowed to proceed for 60 minutes. Reconstituted Luciferin Detection Reagent (30 ul) was then added is added to simultaneously stop the MAO reaction and convert the methyl ester derivative to luciferin and produce light. The amount of light produced is directly proportional to the activity of MAO. The mixtures were further incubated for 20 minutes and activity of the enzyme was determined using Perkin-Elmer Envision Reader.
6846	1	Direct Competition Assay	The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presence of a constant concentration of enzyme (3 nM for VIM-2 and 4 nM for VIM-24) with increasing concentrations of inhibitor (5&#8722;60 &#956;M) against a fixed concentration (5KM) of the indicator substrate, NCF, as previously described. The reactionswere started by addition of VIM-2 or VIM-24 to substrate or to mixtures of substrate and inhibitor.
6847	1	KinEASE Assay	IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer&#146;s instructions. The kinases Akt1 (batch no. D8MN034U-L) was purchased from Millipore. 5 &#956;L kinase solution (0.12 nM for Akt1) and 2.5 &#956;L inhibitor solution (8% DMSO in HTRF buffer) were pre-incubated for 1 h before the reaction was started by addition of 2.5 &#956;L of a solution containing ATP and substrate peptide. The final ATP and substrate concentrations were set at their respective Km values (50 &#956;M and 250 nM, respectively, for Akt1). The biotinylated STK3 substrate peptide is then phosphorylated by Akt1 for 45 min. After completion of the reaction, 10 &#956;L of a solution with an anti-phosphoserine/-threonine antibody labeled with Europium Cryptate and Streptavidin labeled with the fluorophore XL665 (0.5 &#956;M for Akt1) were added simultaneously. The FRET between Europium Cryptate and XL665 was measured to quantify the extent of substrate pep
6847	2	iFLik Assay	Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of candidate compounds were prepared in DMSO at 21× the final desired concentration. Compounds (0.5 &#956;L) were then mixed with labeled Akt1 (10 &#956;L) in triplicate and with measurement buffer alone (background fluorescence control) in quadruplicate at 12different concentrations. The final compound concentrations ranged from 0.8 nM to 500 &#956;M and each well contained 5% v/v DMSO after mixing. Plates were then covered with an adhesive plastic foil and incubated for 2 h at RT prior to measurement of emission intensities at fluorophore-specific wavelengths
6848	1	KinEASE-STK Assay	IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer&#39;s instructions. A biotinylated substrate peptide (STK3 from Cisbio) was phosphorylated by TBK1. After completion of the reaction, an antiphosphoserine/-threonine antibody labeled with europium cryptate and streptavidin labeled with the fluorophore XL665 were added. FRET between europium cryptate and XL665 was measured to quantify the phosphorylation of thesubstrate peptide. ATP concentrations were adjusted to 30 &#956;M while a substrate concentration of 1 &#956;M was used. Kinase and inhibitor were preincubated for 30 min before the reaction was started by addition of ATP and substrate peptide. A Tecan infinite M1000 plate reader was used to measure the fluorescence of the samples at 620 nm (Eulabeled antibody) and 665 nm (XL665 labeled streptavidin) 60 &#956;s afterexcitation at 317 nm.
6849	1	Inhibition Assay	Protein Kinase C beta 2 (PKC beta II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate peptide (A->S, RFARKGSLRQKNV). This transfer is coupled to the oxidation of p-NADH through the activities of Pyruvate Kinase (PK) and Lactate Dehydrogenase (LDH). (3-NADH conversion to NAD+ is monitored by the decrease in absorbance at 340 nm (e=6.22 cm-1 mM-1) using a Molecular Devices SPECTRA max PLUS spectrophotometer.A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30 C. in 0.1 mL of assay buffer containing 50 mM HEPES, pH 7.4, 5 nM PKC, 23 units of pyruvate kinase, 33 units of lactate dehydrogenase, 0.15 mM peptide, 0.1 mM ATP, 1 mM DTT, 4 mM PEP, 8 mM MgCl2, 0.3 mM NADH, 60 mM CaCl2, 10 mg/mL PS, 50 ng/mL PMA, 7.5% DMSO and from about 10,000 nM to 0.169 nM compound inhibitor.
6850	1	In Vitro Assay	293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrophysiology system in accordance with the manufacturer's specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Sodium channel currents were measured in response to a train of depolarizations that induced successively greater inactivation.Cells were held at -110 mV for three seconds (Nav 1.7) or half a second (Nav 1.5) from a holding voltage of -15 mV, then put through a series of 26 pulses of 150 msec duration to -20 mV at a frequency of 5 Hz. Cells were then left unclamped for a period of 3 to 8 minutes while a single concentration of test compound was added. Cells were then reclamped and put through the same voltage protocol. Current at the end of the 26th pulse to -20 mV was subtracted from the peak current evoked by the 26th pulse to -20 mV to correct for leak current.
6850	3	In Vitro PX Assay	293 cells stably transfected with Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system according the manufacturer&#39;s specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Cells were held at a holding potential of &#8722;50 mV to inactivate sodium channels. To elicit sodium currents the voltage was changed to &#8722;120 mV to recover a portion of the channels, followed by delivery of test pulses of 20 msec duration to 0 mV, at 0.1 Hz. A single concentration of test compound was applied to cells for a duration of 5 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition.
6850	2	In Vitro PX Assay	293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to &#8722;10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition.
6851	1	In vivo Deuterated 1-Butanol PLD Assay	Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cells, were serum-starved 18 h prior to experiment in DMEM, 0.5% FBS, 1% AA. Cells werepretreated in the presence of test compound (50 &#956;M to 5 nM) or DMSO (vehicle control) in DMEM for 5 min at rt. After pretreatment, media was removed, and cells were treated with DMEM + 1 &#956;M PMA + 0.3% 1-butanol-d10, and either test compound, DMSO vehicle control, or DMEM alone for 30 min at 37 °C. HEK293-gfpPLD2 cells were treated in the presence of DMEM + 0.3% 1-butanol-d10 and either test compound or DMSO but were not stimulated with PMA. After treatment, samples were extracted, and 1,2-dihexanoyl-snglycero-3-phosphomethanol (32:0 PtdMeOH) was added as an internal standard. The lipids were isolated, the solvent was evaporated, and the resulting lipid film was resuspended in MS solvent (9:1 methanol/chloroform + 1 &#956;L of NH4OH). Samples were 
6851	3	In vitro Exogenous Substrate Assay	Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3&#8722;50 nM PLD1 or PLD2 was reconstituted with phospholipid vesicle substrates composed of 10 &#956;Mdipalmitoyl-PC, 100 &#956;M PE (bovine liver), 6.2 &#956;M PIP2 (porcine brain), 1.4 &#956;M cholesterol, and 2.5 &#956;Ci [3H]-DPPC. Lipid solutions were dried under a gentle stream of nitrogen and resuspended in 100 mM HEPES (pH 7.5), 160 mM KCl, 6 mM EGTA, and 0.2 mM DTT. Small unilamellar vesicles were prepared by bath sonication (2 × 2 min intervals at 80 W). All assays were performed at 37 °C on agitation for30 min in 50 mM HEPES, pH 7.5, 80 mM KCl, 3 mM EGTA, 0.1 mM DTT, 3.6 mM MgCl2, 3.6 mM CaCl2, and 10 &#956;M GTP&#947;S. Reactions were stopped with the addition of trichloroacetic acid and bovine serum albumin. Free [3H]-choline was separated from precipitated lipids and proteins by centrifugation and was analyzed by liquidscintillatio
6851	4	Exogenous PldA Assay	In brief, 6 nM purified PldA was incubated with liposomes containing 90 &#956;M 1,2-dioleoyl-sn-glycero-3-phospho-(1&#8242;-rac-glycerol), 10 &#956;M 1,2-dipalmitoyl-sn-glycero-3-phosphocholine, and 2.5 &#956;Ci [3H]-DPPC for 10 min at 37 °C in buffer containing 50 mM HEPES, pH 7.5, 100 mM KCl, and 3 mM MgCl2. The reaction was quenched with 10% trichloroacetic acid and bovine serum albumin on ice. Protein and lipid were removed by centrifugation. Free [3H]-choline was measured by scintillation counting.
6851	2	Amplex Red Assay of PldA	In a 96-black well plate, in a final reaction volume of 200 &#956;L, the following components were combined on ice to yield final concentrations of 50 mM Tris (pH 7.5), 80 mM KCl, 5 mM MgCl2, 5 mM CaCl2, 50 &#956;M Amplex Red reagent, 0.1 U/mL choline oxidase, 1 U/mL horseradish peroxidase, 1.9 nM PldA, 20 &#956;M (or 5 &#956;g/mL) test compound, and 0.5 mM 7:0/7:0 PC. Lipid in chloroform was dried under a N2 stream in a glass test tube and resuspended in 50 mM Tris (pH 7.5) and 80 mM KCl buffer. All components were combined on ice, and the reaction was initiated byincubating at 37 °C and reading fluorescence emission at 590 nm (excitation = 530 nm) continuously at 90 s intervals for 60 min using a fluorescence plate reader. The signal was normalized by subtracting the background signal produced in the presence of DMSO and absence of PldA.
6852	1	Competitive ABPP Assays in Proteomes with FP-alkyne	For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 &#956;L total reaction volume), doped with 1 &#956;M recombinant PAFAH1b2 and PAFAH1b3, and incubated with compound at the indicated concentrations (1 &#956;L of a 50x stock in DMSO) for 30 min at 37 °C, followed by labeling with 1 &#956;M FP-alkyne (1 &#956;L of a 50x stock in DMSO) for 10 min at 25 °C. Total protein concentrations for each fraction were adjusted to 1 mg/mL in PBS (50 &#956;L total reaction volume). Samples were then subjected to click chemistry by the addition of 1 mM CuSO4 (1 &#956;L of a 50x stock in DMSO), followed by TBTA (3 &#956;L of a 17x stock in 4:1 t-butanol:DMSO), then 25 &#956;M Rh-N3 (1 &#956;L of a 50x stock in DMSO) and 1 mM TCEP (1 &#956;L of a 50x stock in DMSO). Reactions were vortexed, incubated for 1 h at 25 °C, and quenched with 4x SDS-PAGE loading buffer and analyzed by in-gel fluorescence scanning.
6853	1	AlphaScreen Assay	In brief, compound plates (1 &#956;L at 10 mM highest concentration; 3-fold, 10-point dilutions in DMSO) were diluted in 1X assay buffer (20 mM TRIS pH 8.0, 25 mM NaCl, 2 mM DTT and 0.05% Tween-20) to 1 mM using a Multimek robotic pipettor (Nanoscreen), and 1 &#956;L was spotted into the wells of 384-well low-volume Proxiplates (PerkinElmer). To these plates was added 9 &#956;L of protein&#8722;peptide mix in a 1X assay buffer by Multidrop (Thermo) to bring the final compound concentration to 100 &#956;M, and this was incubated for 30 min at RT. Next, 2 &#956;L of a 1:1 mixture of streptavidin-conjugate donor and nickel-chelate acceptor beads (45&#956;g/mL in 1X assay buffer) were added, and the plates were allowed to incubate for an additional 30 min in the dark at RT. After incubation, the plates were read on an EnVision multilabel reader equipped with an HTS AlphaScreen laser (PerkinElmer).
6853	2	ITC	All ITC measurements were recorded at 25 °C with an AutoITC200 microcalorimeter (MicroCal Inc.). All protein and compound stock samples were in the target buffer (25 mM Tris-HCl, pH 8, 150 mM NaCl, and 2 mM &#946;-mercaptoethanol), and then diluted in the same buffer to achieve the desired concentrations: 90 200 &#956;M protein and 1 2 mM compound depending on the expected dissociation constant. The concentration of protein stock solutions were established using the Edelhoch method, whereas 10 mM compound stock solutions were prepared gravimetrically based on molecular weight. A typical experiment included a single 0.2 &#956;L compound injection into a 200 &#956;L cell filled with protein, followed by 25 subsequent 1.5 &#956;L injections of compound. Injections were performed with a spacing of 180 seconds and a reference power of 8 &#956;cal/sec.
6854	1	CtBP2 ITC	Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM NAD+.Concentrated ligands were diluted to working concentrations in dialysate. Binding was measured by titrating in 1.5 mM HIPP. Five mM MTOB was utilized for competitive displacement assays. MTOB was incubated with the protein sample and HIPP for 10 min prior to the displacement assays. 1.5 mM HIPP was titrated to displace MTOB from the CtBP2 active site. CtBP2 concentration was 100&#8722;120 &#956;M forall experiments. Each measurement consisted of 20&#8722;25 1.0 &#956;L injections of HIPP into the CtBP2 solutions.
6854	3	Kinetic Inhibition Assay	Purified CtBP2 in 50% glycerol was added to 150 &#956;M NADH and variable amounts of MTOB and HIPP in buffer containing 25 mM HEPES, pH 7.1, 25 mM potassium chloride, and 1mM DTT. The final concentration of CtBP was 40 &#956;g/mL (986 nM) per reaction. HIPP was dissolved in DMSO (1% total volume). Final MTOB concentrations were the following: 36, 24, 12, 8, 4, 2, 1, and 0 &#956;M for 0 &#956;M HIPP; 64, 48, 24, 12, 8, 4, 2, and 0uM for 500nM HIPP; 80, 64, 48, 24, 12, 8, 4, and 0 &#956;M for 1 &#956;M HIPP; 96, 80, 64, 48, 36, 24, 12, and 0 &#956;M for 2 &#956;M HIPP. Reaction components wereadded to 96-well UV-Star Microplates (Greiner Bio-One). Upon addition of CtBP,reactions were mixed vigorously and immediately read by a Synergy H1 microplatereader (BioTek). Absorbance was recorded at A=340nm every 7 seconds for 7 minutes at 25°C to measure CtBP dehydrogenase function (NADH, but not NAD+ absorbs light at 340nm).
6855	1	Fluorimetric Assay	done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buffer (50 mM HEPES, pH 7.5, 0.01% Triton X-100 (v/v), 0.1 mg mL&#8722;1 BSA, and 2 mM GSH). The MERS-PLpro enzyme (400 nM final concentration) was prepared in the same assay buffer with 5 mM DTT in place of 2 mM GSH. A total of 30 &#956;L of enzyme solutionwas dispensed into wells, and then 200 nL of 10 mM compounds (50 &#956;M final concentrations) was added and incubated for 5 min. Enzyme reactions were initiated with 10 &#956;L of substrate Z-Arg-Leu-Arg-Gly-Gly-AMC (Bachem Bioscience; 50 &#956;M and 75 &#956;M for SARS- and MERS-PLpro, respectively) dissolved in the assay buffer and incubated for 6 min, followed by adding 10 &#956;L of 10% SDS (w/v) as a stop solution. Fluorescence intensity was monitored at 360 nm (excitation) and 450 nm (emission).
6855	2	Surface Plasmon Resonance	Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfactant P-20, pH 7.4) using a Biacore T200 instrument. The MERS-PLpro enzyme was immobilized to flow channels 2 and 3, and immobilization levels of flow channels 2 and 3 were &#8764;16 900 RU and &#8764;16 700 RU, respectively. SARS-PLpro was immobilized to flow channel 4 at the immobilization level of &#8764;14 600 RU to be compared with MERS-PLpro.
6855	3	Inhibitor Selectivity Assay	The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a total volume of 24 &#956;L of the assay buffer containing 50 mM HEPES (pH 7.5), 5 mM DTT, 0.1 mg mL&#8722;1 BSA, and 0.01% Triton X-100 (v/v) in triplicate. A series of compound concentrations (0 to 200 &#956;M final concentration at 2-fold serial dilution) in 100%DMSO was prepared in a 384-well plate. Then 3× compound solutions were prepared in the assay buffer prior to assays. A total of 8 &#956;L of each enzyme solution was distributed into wells, and 8 &#956;L of varying concentrations of compounds was added and incubated for 10 min. The enzyme reaction was initiated by adding 8 &#956;L of thesubstrate (50 &#956;M final concentration), and fluorescence intensity was continuously monitored at excitation/emission wavelengths of 350 nm/460 nm for 10 min.
6856	1	ITC Assay	All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM DTT, and all protein samples were dialyzed against this buffer in advance. The concentration of the proteins was between 0.1 mM and 0.2 mM, while the ligand was 10 to 15 times less. A typical titration was conducted using an initial injection of 2 &#956;L, followed by 25 identical injections of 10 &#956;L at time intervals of at least 240 s.
6856	2	EMSA	For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as a reference compound. First, 4.5 &#956;L of 2× kinase solution was added to 0.05 &#956;L of compound (maximum concentration 1.8 mM in 90% DMSO and 10% H2O). To allow for possible slow association, plates with type II inhibitors were incubated for 60 min at 30 °C. The assay started after the addition of 4.5 &#956;L of 2× peptide with ATP and was run for 60 min at 30 °C, after which 16 &#956;L of stop solution was added (100 mM HEPES pH 7.5, 5% DMSO, 0.1% coating reagent (Caliper Lifescience) 10 mM EDTA, pH 8.0, 0.015% BRIJ35). All reactions were performed in 50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween 20, 0.02% BSA, 10 mM betaglycerophosphate, 0.01 mM Na3VO4, 0.6% DMSO, and 2 &#956;M peptide.
6857	1	ChTL Inhibition Assays	One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 °C in 96-well plates, in a final reaction volume of 40 mL. Ten microliters of specific fluorogenic proteasome substrate Suc-LLVY-Amc (CTL substrate)at 200 mM were added, resulting in a final substrate concentration of 40 mM. Samples were incubated for 15 min at 37 °C and then the fluorescence in each well was measured.
6857	2	TL Inhibition Assays	One nanomolar of proteasome was incubated with different inhibitor concentrations in Tris 25 mM pH 7.5; SDS 0.03%; EDTA 0.5 mM for 15 min at 37 °C in 96-well plates, in a final reaction volume of 40 mL. Ten microliters of specific fluorogenic proteasome substrate Ac-LRR-Amc (TL substrate) at 200 mM were added, resulting in a final substrate concentration of 40 mM. Samples were incubated for 15 min at 37 °C and then the fluorescence in each well was measured.
6858	1	AMPD Enzymatic Activity Assay	AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consistingof 2mMNADPH, 6mMa-ketoglutarate, 8mMAMP, and 15 U GDH was prepared in buffer A. Substrate mix (4 ml) was added to the plate, followed by centrifugation and incubation for 1 hr. Detection was by absorbance at 340 nm following the conversion of NADPH to NADP+. Recombinant AMPD enzyme activity assays were performed in a 384-well format using the same conditions as described above, except the assay volume was 80 ml and the AMP concentration for the AMPD2 assay was 8 mM. Different AMPD enzyme concentrations were used to have linear reactions: hAMPD1 (4 nM), hAMPD2 (38 nM), hAMPD3 (1 nM), rAMPD1 (116 nM), rAMPD2 (53 nM), rAMPD3 (31 nM), and mAMPD1 (816 nM).
6859	1	Temperature Dependence Fluorescence Assay (TdF)	The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescence) assay or best known as thermal shift assay [1]. The TdF assay was mainly conducted in the 96-well based CHROMO-4 real time fluorescence plate reader (BioRad). The Sypro Orange (Sigma-Aldrich), environmentally sensitive fluorescence dye, was used to monitor the protein folding-unfolding transition. Protein-ligand binding was gauged by the change (or shift) in the unfolding transition temperature (DTm) acquired at protein alone with respect to protein in the presence of ligand of interest.Compound of interest was first prepared in DMSO stock (typical concentration: 10 mM). Sample of 20 uL was then added into the 96-well PCR plate, where it consisted of 3 uM ERK protein and 15, 50 or 100 uM compound (depending on compound's solubility) in buffer (25 mM HEPES, 150 mM NaCl, pH=7.5 and 1 mM DTT).
6859	4	Coupled ERK2 (cERK) Assay	Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concentration in 100% DMSO. 14 ul of kinase buffer (10 mM Tris.HCl pH 7.2, 10 mM MgCl2, 0.01% Tween-20, 1 mM DTT) containing 0.4 ng unphosphorylated Mouse ERK2 protein was added to each well of a black 384-well assay plate. 1 ul of 25x compound was added to each well and incubated at room temperature for 30 minutes to allow an opportunity for the compound to bind to the inactive enzyme. DMSO concentration during initial incubation is 6.7%. ERK2 activity was determined to be insensitive to DMSO concentrations up to 20%. ERK2 was then activated and it's kinase activity measured by the addition of 10 ul kinase buffer with the following components (final concentration per reaction): 2 ng active (phosphorylated) human MEK1 protein and 4 uM (total) ERK2 IMAP substrate peptides.
6859	2	IMAP Assay 	Condition 1: Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 &#956;l of 25× compound was added to 140 of kinase buffer containing 0.25 ng fully phosphorylated, active Mouse ERK2 protein. Following a 30 minute incubation, the reactions were initiated by addition of 10 &#956;l of kinase buffer containing 1 &#956;M ERK2 IMAP substrate peptide (0.9 &#956;M unlabeled IPTTPITTTYFFFK-CONH2 and 100 nM IPTTPITTTYFFFK(5-carboxyfluorescein)-CONH2) and 30 &#956;M ATP. Reactions proceeded for 30 minutes before termination by addition of 60 &#956;l IMAP detection beads in binding buffer. Plates were read as above after 30 minute binding equilibration. Active compounds were reconfirmed in an independent assay. 
6859	3	IMAP-FP Assay	Condition 2: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. 7.5 mL of compound (3333 fold dilution in final assay volume of 25 uL) was added to 15 uL of kinase buffer containing 0.0133 ng/mL (0.316 nM) of fully phosphorylated, mouse aERK2 enzyme. Following a 15 minute incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-5FAM (5-carboxyfluorescein)-COOH), and 75 uM ATP. The final reaction in each well of 25 uL consists of 0.19 nM mouse ERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 uM ATP. Phosphorylation reactions were allowed to proceed for 40-45 minutes.
6860	1	In Vitro Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 ug/ml G418, 100 U/ml penicillin, 100 ug/ml streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20'000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37 C. in 5% CO2.Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 ul of staining buffer.
6861	1	In Vitro Binding Assay	hEP1 and hEP4 membranes are prepared from recombinant HEK293 cells stably expressing the human EP1 (Genbank accession number AY275470) or EP4 (Genbank accession number AY429109) receptors. hEP2 and hEP3 membranes are prepared from HEK293 cells transiently transfected with EP2 (Genbank accession number AY275471) or EP3 (isoform VI: Genbank accession number AY429108) receptor plasmids. Frozen cell pellets are homogenized in homogenization buffer using a Teflon/glass homogenizer. Membrane protein is aliquoted and quick frozen on dry ice prior to storage at -80 C. Homogenization buffer contained 10 mM Tris-HCl, pH 7.4, 250 mM sucrose, 1 mM EDTA, 0.3 mM indomethacin and plus Complete, with EDTA, obtained from Roche Molecular Biochemicals (Catalog Number 1 697 498).Kd values for [3]H-PGE2 binding to each receptor are determined by saturation binding studies or homologous competition. Compounds are tested in a 96-well format using a three-fold dilution series.
6862	1	Binding Assay	A whole cell receptor binding assay using [3H]ramatroban as the competing radioactive ligand was employed to evaluate the compound binding activity to human CRTH2. The radioactive ligand [3H]ramatroban was synthesized according to Sugimoto et. al. (Eur. J. Pharmacol. 524, 30-37, 2005) to a specific activity of 42 Ci/mmol.A cell line stably expressing human CRTH2 was established by transfecting CHO-K1 cells with two mammalian expression vectors that harbored human CRTH2 and G-alpha16 cDNAs, respectively, using FuGene 6 transfection reagent (from Roche). Stable clones expressing CRTH2 were selected by staining each clone with BM16 (BD Pharmingen from BD Biosciences, a division of Becton, Dickinson and Company), which is a rat monoclonal antibody to human CRTH2. The cells were maintained as monolayer cultures in Ham's F-12 medium containing 10% fetal bovine serum, 100 units/mL penicillin, 100 ug/mL streptomycin, 2 mM glutamine, 0.5 mg/mL G418 (geneticin) for CRTH2.
6862	2	Fluorometric Imaging Plate Reader (FLIPR) Assay	Cell Culture Conditions: CHO-K1 cells previously transfected with G-alpha 16 were subsequently transfected with the human CRTH2 receptor and the neomycin resistance gene. Following selection in 800 ug/mL G418 (geneticin), individual clones were assayed for their receptor expression based on staining with an anti human CRTH2 IgG, followed by assaying for their response to 13,14-dihydro-15-keto Prostaglandin D2 (DK-PDG2) (ligand) in the Ca2+ Flux assay. Positive clones were then cloned by limiting dilution cloning. The transfected cells were cultured in Ham's F-12 medium supplemented with 10% fetal bovine serum, 2 mM glutamine, 100 U/mL penicillin/100 ug/mL streptomycin, 200 ug/mL hygromycin B, and 800 ug/mL G418 (geneticin). Cells were harvested with trypsin-EDTA (trypsin-ethylenediaminetetraacetic acid) and counted using ViaCount reagent (from Guava Technologies, Inc. which contains two DNA-binding dyes.
6863	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates . To this end, 1.5 &#956;g of the DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK biotin-NH2 (biotin-DNA-PK peptide), in a total volume of 36.5 &#956;l (34.25 mM HEPES/KOH, 7.85 mM Tris-HCl, 68.5 mM KCl, 5 &#956;M ATP, 6.85 mM MgCl2, 0.5 mM EDTA, 0.14 mM EGTA, 0.69 mM DTT, pH 7.4), were incubated at room temperature for 90 min with 500 ng of DNA from calf thymus, 0.1 &#956;Ci of 33P-ATP and 1.8% of DMSO per well with or without the test compound. The reaction was stopped using 50 &#956;l/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 &#956;l of 0.9% sodium chloride solution. A non-specific reaction (blank value) was determined using 10 &#956;M of a proprietary kinase inhibitor. The radioactivity measurement was carried out by means of a TopCount.
6864	1	TR-FRET Assay	The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6864	2	Diluted TR-FRET Assay	TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6864	3	Release Assay	SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concentration of 7.5-9.5x106 cells per vial. Thaw cells and seed at a conc. of around 10000 cells/well in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids to a 384-well tissue culture treated plate, 100 uL cell susp/well. The cell plates were then incubated for 7-24 h at 37 C., 5% CO2. The cell medium was removed, followed by addition of 30 uL compound diluted in DMEM/F-12 with Glutamax, 10% FCS, 1% non-essential amino acids and 1% PeSt to a final conc. of 1% DMSO. The compounds were incubated with the cells for 17 h (overnight) at 37 C., 5% CO2. Meso Scale Discovery (MSD) plates were used for the detection of sAPPbeta release. MSD sAPPbeta plates were blocked in 1% BSA in Tris wash buffer (40 uL/well) for 1 h on shake at r.t. and washed 1 time in Tris wash buffer (40 uL/well).
6865	1	TR-FRET Assay	The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6865	2	Diluted TR-FRET Assay	TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6865	3	Release Assay	SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concentration of 7.5-9.5x106 cells per vial. Thaw cells and seed at a conc. of around 10000 cells/well in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids to a 384-well tissue culture treated plate, 100 uL cell susp/well. The cell plates were then incubated for 7-24 h at 37 C., 5% CO2. The cell medium was removed, followed by addition of 30 uL compound diluted in DMEM/F-12 with Glutamax, 10% FCS, 1% non-essential amino acids and 1% PeSt to a final conc. of 1% DMSO. The compounds were incubated with the cells for 17 h (overnight) at 37 C., 5% CO2. Meso Scale Discovery (MSD) plates were used for the detection of sAPPbeta release. MSD sAPPbeta plates were blocked in 1% BSA in Tris wash buffer (40 uL/well) for 1 h on shake at r.t. and washed 1 time in Tris wash buffer (40 uL/well).
6866	1	TR-FRET Assay	The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6866	2	Diluted TR-FRET Assay	TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6866	3	Release Assay	SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concentration of 7.5-9.5x106 cells per vial. Thaw cells and seed at a conc. of around 10000 cells/well in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids to a 384-well tissue culture treated plate, 100 uL cell susp/well. The cell plates were then incubated for 7-24 h at 37 C., 5% CO2. The cell medium was removed, followed by addition of 30 uL compound diluted in DMEM/F-12 with Glutamax, 10% FCS, 1% non-essential amino acids and 1% PeSt to a final conc. of 1% DMSO. The compounds were incubated with the cells for 17 h (overnight) at 37 C., 5% CO2. Meso Scale Discovery (MSD) plates were used for the detection of sAPPbeta release. MSD sAPPbeta plates were blocked in 1% BSA in Tris wash buffer (40 uL/well) for 1 h on shake at r.t. and washed 1 time in Tris wash buffer (40 uL/well).
6867	2	Diluted TR-FRET Assay	TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6867	1	TR-FRET Assay	The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in -80 C. in 50 mM Glycine pH 2.5, adjusted to pH 7.4 with 1 M Tris and had a purity of 40%.The enzyme (truncated form) was diluted to 6 ug/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 uM) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). Enzyme and compound in dimethylsulphoxide (final DMSO concentration 5%) was mixed and pre-incubated for 10 minutes at RT. Substrate was then added and the reaction was incubated for 15 minutes at RT. The reaction was stopped with the addition of 0.35 vol Stop solution (NaAcetate, pH 9).
6867	3	Release Assay	SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concentration of 7.5-9.5x106 cells per vial. Thaw cells and seed at a conc. of around 10000 cells/well in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids to a 384-well tissue culture treated plate, 1004, cell susp/well. The cell plates were then incubated for 7-24 h at 37 C., 5% CO2. The cell medium was removed, followed by addition of 30 uL compound diluted in DMEM/F-12 with Glutamax, 10% FCS, 1% non-essential amino acids and 1% PeSt to a final conc. of 1% DMSO. The compounds were incubated with the cells for 17 h (overnight) at 37 C., 5% CO2. Meso Scale Discovery (MSD) plates were used for the detection of sAPPbeta release. MSD sAPPbeta plates were blocked in 1% BSA in Tris wash buffer (40 uL/well) for 1 h on shake at r.t. and washed 1 time in Tris wash buffer (40 uL/well).
6868	1	In Vitro Assay	For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RPMI medium 1640 containing 10% fetal bovine serum. The cells were used 1 day after plating. They were incubated in pretreatment buffer (10 mM HEPES, 5 mM Tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, and 1 mM MgCl2, pH 7.4) at 37 C. for 10 min. They were then incubated in uptake buffer (10 mM HEPES, 5 mM Tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mM 14C-nonlabeled AMG pH 7.4) containing 14C-labeled (8 uM) and inhibitor or DMSO vehicle at 37 C. for 2 h. Cells were washed twice with washing buffer (pretreatment buffer containing 10 mM AMG at room temperature) and then the radioactivity was measured using a liquid scintillation counter. IC50 was determined by nonlinear regression analysis using GraphPad PRISM [Katsuno, K. et al. J. Pharmacol. Exp. Ther. 2007, 320, 323-330; Han, S. et al. Deabetes, 2008, 57, 1723-9].
6869	1	Inhibition Assay	A mixture containing 100 mM MES-sodium hydroxide (pH 6.5), 1 mM magnesium acetate, 0.5 mM EGTA, 5 mM, .beta.-mercaptoethanol, 0.02% Tween 20, 10% glycerol, 12 .mu.g/ml P-GS1, 41.7 .mu.M [.gamma.-.sup.32P] ATP (68 kBq/ml), bovine cerebral TPK1 and a compound shown in Table (a final mixture contained 1.7% DMSO deriving from a solution of a test compound prepared in the presence of 10% DMSO) was used as a reaction system. The phosphorylation was started by adding ATP, and the reaction was conducted at 25.degree. C. for 2 hours, and then stopped by adding 21% perchloric acid on ice cooling. The reaction mixture was centrifuged at 12,000 rpm for 5 minutes and adsorbed on P81 paper (Whatmann), and then the paper was washed four times with 75 mM phosphoric acid, three times with water and once with acetone. The paper was dried, and the residual radioactivity was measured using a liquid scintillation counter. The results are shown in the table below.
6870	1	Inhibition Assay	The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microsomes.Methods: The competitive inhibition potential of Compounds 1, 2, and 105 was determined by assessing at multiple concentrations on probe CYP reactions near their respective Km values to create IC50 curves in human liver microsomes (HLM). The time-dependent inactivation (TDI) potential was also assessed for CYP3A4/5 by evaluating KI and kinact values when appropriate.A suspension containing PB, HLM, CYP-selective probe substrate, and the inhibitor being tested was added to a 96-well plate. The plates were preincubated in a 37 ° C. water bath for approximately 2 minutes. The reaction was initiated by the addition of NADPH to each well of the 96-well plate. The final concentrations for PB, HLM, and NADPH were 100 mmol/L (pH 7.4), 0.1 mg/mL, and 2.3 mmol/L, respectively. The CYP probe substrates and CYP inhibitors used as positive controls.
6871	1	Radioligand Binding Assay	Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligand binding domain (LBD) in the presence of radiolabeled LXR ligand [3H]TO901317. The amount of the LXR-LBD that complexed with [3H]T0901317 was measured by scintillation proximity assay (SPA) employing non-specific binding of LXR-LBD to poly-lysine coated Yttrium silicate beads. Partially purified LXR alpha or beta LBD protein (15-45 nM) was incubated at rt for 30 min with 15 nM [3H]TO901317 (25-40 Ci/mmol) and different concentrations of test compounds in 80 uL of phosphate buffered saline (PBS) buffer containing 2.5% DMSO, 1% glycerol, 2 mM EDTA, 2 mM CHAPS and 5 mM DTT in 96-well plates. Poly-lysine SPA beads (50 ug) were added to each well and the total volume was adjusted to 120 uL. The plates were shaken on an orbital shaker for 20 min and then allowed to settle for 10 more minutes at rt.
6872	1	Inhibition Assay	10 &#956;L of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 &#956;L of a 5 &#956;g/mL human ENPP2 solution (buffer A: 100 mmol/L Tris-HCl (pH 9.0), 500 mmol/L NaCl, 5 mmol/L MgCl2, 0.05% Triton X-100) were mixed, 50 &#956;L of a 2 mmol/L 16:0-lysophosphatidylcholine (LPC) solution (buffer A) was further added to react at 37° C. for 24 hours. Subsequently, to 10 &#956;L of the reaction solution was added 90 &#956;L of a measurement buffer (0.5 mmol/L aminoantipyrine, 0.3 mmol/L N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline, 1 U/mL peroxidase, 3 U/mL choline oxidase, 100 mmol/L Tris-HCl (pH 8.5), 5 mmol/L CaCl2) to react at 37° C. for 20 minutes, and spectrophotometric determination was performed at 555 nm.
6873	1	Fluorescence Lifetime-Based Assay	See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L M, Hassiepen U Biomol Screen. 2009 January; 14(1):1-9.  Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 pM) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 &#956;M. Substrate hydrolysis leads to an increase fluorescence lifetime (FLT) of PT14 measured by the means of a FLT reader as described by Doering et al. (2009). The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature.
6874	1	Enzyme Activity Assay	The assay was run in a 384-well microtiter plate at 37 ° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or 0.09 nM mouse PrCP (CHO) enzyme, 15 uM substrate and varying concentrations of inhibitor in buffer containing 10 mM NaOAc, 100 mM NaCl and 19.5 ug/mL BSA at pH 5.5. The assay also contained 2% DMSO used to solubilize the substrate and inhibitor. Inhibitors were prepared in 100% DMSO and serial diluted (in 100% DMSO) to generate 11 point titration curves. Either 39 uL of human or mouse PrCP enzyme was added to the wells of the assay plate, followed by a 1 uL addition of the serially diluted inhibitor and mixed three times using a 30 uL mix volume. The reaction was initiated by the addition of 10 uL substrate and mixed three times using a 30 uL mix volume. The reactions were monitored continuously over 25 min at 37 ° C. to obtain initial velocities. IC50 values were calculated by comparing the resulting rates of reaction of the inhibited.
6875	1	Inhibition Assay	FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate Arachidonoyl 7-Amino, 4-methyl Coumarin Amide (AAMCA) by FAAH. Inhibition of FAAH activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 ul of FAAH protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 120 nM, with increasing concentrations of compounds (2.5 ul in 100% DMSO) for 0, 1 or 3 hours at room temperature. 2.5 ul of DMSO was added for total controls (100% FAAH activity) and 2.5 ul of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 uM) was used for non-specific controls (0 FAAH activity).
6875	2	Inhibition Assay	Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate arachidonoyl 7-amino, 4-methyl coumarin amide (AAMCA) by FAAH. Inhibition of human FAAH 1 activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 ul of human FAAH 1 protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 10 nM, with increasing concentrations of compounds (2.5 ul in 100% DMSO) for 1 hour at room temperature. 2.5 ul of DMSO was added for total controls (100% FAAH activity) and 2.5 ul of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 uM) was used for non-specific controls (0 FAAH activity).
6876	1	Reductase Assay	All assays were carried out in a reaction buffer containing 100 nM KxPO4 at pH 7.2, 1 mM EDTA, 500 mM KCl and 1 mg/ml BSA. The concentrations of NADPH and HMG-CoA were both 200 &#956;M. The enzyme concentration used is unknown although this concentration is 10-fold lower than that of the stock solution purchased. Inhibitors were dissolved in 75% DMSO. Where inhibitors were found to be insoluble or only partly soluble in 75% DMSO, 100% DMSO was used. Reactions were activated by the addition of enzyme and agitated for 12 seconds following the addition. Absorbance readings were then taken every 20 seconds for 600 seconds. In initial tests the concentration of each inhibitor was set at 50 nM to identify which compounds were the better inhibitors, compared to the known Pravastatin inhibitor.
6877	1	Fluorescence (or Forster) Resonance Energy Transfer (FRET) Assay	In this assay, assembly of Abeta 1-42 oligomer formation is monitored by FRET using N-terminal conjugates of fluorescein-Abeta 1-42 as both the donor and acceptor fluorophore (fluorescein-fluorescein Ro ~45 A). Abeta 1-42 monomers assembling into oligomeric species results in a decrease of fluorescence as the fluorescein labeled Abeta 1-42 peptides become proximal to each other and FRET efficiency increases. Inhibition of Abeta 1-42 assembly is observed as the absence or attenuation of fluorescein quenching.FRET and FP assays are performed in 384-well Corning Non-Binding Surface, black, opaque microtiter plates, and the assay buffer consists of 50 mM MOPS-Tris (pH 8.0) with 100 mM MgCl2. The assay volume, containing 0.2 uM FITC-Abeta (1-42) and 0.8 uM Abeta (1-42), is 50 ul and the temperature is 37 C. ADDL assembly is monitored on a Tecan GENios Pro plate reader, exciting at a wavelength of 485 nm and detecting emission at a wavelength of 515 nm.
6878	1	Enzyme Assay	The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent to the reduction of DCIP (2,6-dichlorophenol). The reduction of DCIP is accompanied by a loss of absorbance at 610 nm.Reagents Used:L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic grade purchased from Spectrochem, cat no. 0704209, B. no.--3183650 Decylubiquinone, Sigma, D7911Preparation of Solutions/Reagents:Buffer Preparation: 50 mM tris HCl, 150 mM KCl, and pH 8.0, 0.8% triton.L-Dihydroorotic acid stock solution of 20 mM in buffer2,6-Dichloroindophenol Sodium salt hydrate stock solution of 20 mM in bufferDecylubiquinone stock solution of 20 mM in bufferDMSO used as vehicleProcedure:5 .mu.L of Dimethyl sulfoxide or a compound of formula I in DMSO solution was added to the wells of a 96 well plate. Compounds of formula I were measured at 10 .mu.M.
6879	1	Inhibition Assay	The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified methods for the determination of carbamyl aspartate. Anal Biochem 32, 408-419 (1969)), which was adapted and optimized for a microplate format. Subsequently, the activity of DDAH was quantified by detecting its conversion of ADMA to citrulline using the optimized protocol. The assay was scaled up to a 384-well format for high throughput chemical screening.High Throughput Screening of Small Molecules:Over 130,000 small molecules deposited in the Stanford High-throughput Bioscience Center (HTBC) were screened using the enzymatic assay to identify chemicals that regulate DDAH activity. In brief, recombinant human DDAH1 (rhDDAH1) was mixed with ADMA in the presence of screening buffer in 384-well plates using a Staccato multidrop. Small molecules (100 nL each) were then added to the wells using a robotic arrayer to yield a final compound screening.
6880	1	Biochemical Alpha Screen Assay	A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)1SEQ ID NO: 1). FAK enzyme was expressed in insect cells as catalytic domain (amino acids 411-686)N-terminally tagged with six histidine amino acids and a Tobacco Etch Virus (TeV) cleavage sequence. After lysing the cells by sonication, the kinase was purified by Ni-Immobilised Metal Affinity Chromatography chromatography, TeV cleavage leaving a N-terminal glycine, and gel filtration. The 15 ul assay reactions are run in Greiner brand white 384-well low volume plates. All reactions contained 10 mM HEPES pH 7.4, 25 mM NaCl, 10 mM MgCl2, 0.01% (v/v) Tween-20, 50 uM Na3V04, 0.01% (w/v) albumin from chicken egg white, 111 nM peptide substrate, 80 uM ATP, and 4 ng/reaction FAK enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nl from dilution series made up in DMSO.
6880	2	Biacore SPR Assay	Binding parameters of compounds were determined using a Biacore S51 sensor. An anti-GST antibody was immobilized onto a CM5 chip by primary amine-coupling in accordance with the manufacturer's recommendations.In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was captured on both spot 1 and 2. Spot 1 was subsequently blocked by loading with 30 nM PF-562,271 at the beginning of each cycle. Concentration series' of the test compounds were injected over the spots at 25 C. The specific binding was calculated as difference between spot 2 and 1 signals followed by solvent correction.
6880	3	Biochemical Assay	Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2) (SEQ ID NO: 1). VEGFR3 cytoplasmic domain (amino acids 798-1298) was purchased as N-terminal GST-fusion protein (the enzyme). The 15 ul assay reactions are run in Greiner brand white 384-well low volume plates. All reactions contained 10 mM HEPES pH 7A, 10 mM MgCl2, 0.01% (v/v) Tween-20, 50 uM Na3VO4, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 111 nM peptide substrate, 500 uM ATP, and 3.8 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nl from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 90 minutes at 30 degree.
6880	4	Phospho ELISA Assay	Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well plates (Cat #665180, Greiner Bio-One) in Endogro MV complete (Cat#SCME004, Millipore) at 200,000 cells/well (volume 1 mL), and the plates incubated at 37 C. and 5% CO2 for 6 hours. The media was replaced with Endogro Basal (Cat # SCME-BM, Millipore)+0.1% BSA (Cat# A8412, Sigma) and cells incubated for a further period (overnight at 37 C. and 5% CO2).96 well Maxisorp immuno plates (Cat #439454, Nunc) were coated with 100 uL of Total VEGFR2 capture antibody (Part #841888, Human Total VEGFR3/Flt4 ELISA Kit, Cat # DYC3491, R&D Systems), or Phospho VEGF R3Capture antibody (Part #841885, Human Phospho VEGF R3/Flt4 ELISA Kit, Cat# DYC2724, R&D Systems). The plates were covered and incubated at room temperature overnight. The coating antibody was flicked out and the plates washed three times with Wash Buffer.
6881	1	Inhibitory Assay	An inhibitory activity of the above compound in-vitro against Aurora A kinase activity was measured with reference to a method described in JP-A-2008-81492. In measuring inhibitory activity of the compound, first, the test compound was serially diluted by dimethylsulfoxide (DMSO). Then, to a reaction buffer [50 mM Tris-hydrochloric acid buffer (pH 7.4), 15 mM magnesium acetate, 0.2 mM ethylenediamine-N,N,N',N'-tetraacetic acids (EDTA)], purified human Aurora A protein, FL-Peptide 21 (Caliper Life Sciences, Inc., a final concentration: 100 nM), ATP (a final concentration: 5 uM) and the DMSO solution (a final concentration of DMSO: 5%) of the test compound were added. The mixture was incubated at 25 C. for 50 minutes to perform a kinase reaction. To the mixture, IMAP (registered trade mark) Progressive Binding Reagent diluted 500x with IMAP (registered trade mark) Progressive Binding Buffer A (manufactured by Molecular Devices) was added to terminate the kinase reaction.
6883	1	Electrophysiology Assay	Block of Kir 1.1 (ROMKl) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391 : 85- 100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, CA). Chinese hamster ovary cells stably expressing Kirl.l channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37 0C. Prior to an experiment, Kirl .l expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 ml of Versene (Invitrogen 15040-066) for approximately 6 min at 37 0C and suspended in 10 ml of bath solution containing (in roM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES5 pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 ml of bath solution and placed in the Ion Works instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF5 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4.
6884	1	Receptor Assay	Competitive binding test for receptors: 20 &#956;l of each of the test compounds and 20 &#956;l of the radioactive ligand together with 160 &#956;l of the receptor proteins were added into the reaction tubes, and the final concentrations of the test compound and the positive drug were all 10 &#956;mol/L. After 50 min of incubation in 30° C. water bath, the tubes were immediately moved to ice bath to terminate the reactions. GF/C glass fiber filter papers were used for rapid sucking filtration on a Millipore cell sample collector, elution buffer (50 mM Tris-HCl, PH 7.4) was applied for 3 ml×3 times, and microwave was applied for 4-5 min for drying. The filter papers were moved into 0.5 ml centrifuge tubes, and 500 &#956;l of lipid-soluble scintillation solution was added. The tubes were allowed to stand still for over 30 min in dark, and the intensities of radioactivity were measured by a counter. 
6884	2	Receptor Binding Assay	(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of homogenized liquid was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 uL of membrane preparation and 100 uL of buffer were added into each reaction tube.(3) 100 uL of homogenized liquid was added into the total binding tube (TB), 100 uL of mianserin (final concentration 10-5 M) was added into the non-specific binding tube (NB), and 100 uL of the test compound (final concentration 10-5 M) was added into the specific binding tube (SB) for each compound.(4) 10 uL of radioactive ligand [3H]-mesulergine was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample).(5) Each of the reaction tubes was incubated at 37 degree.
6885	1	In vitro Competitive Displacement Binding Assays 	Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domains of clAP-1 , clAP-2 and XIAP were incubated with test compounds or SMAC based peptides and their respective peptide probes (Peptide Protein Research) in assay buffer (50mM Hepes pH 7.5, 0.025% Tween-20, 0.01 % BSA, and 1 mM DTT). Positive controls consisted of BIR3 proteins and tracer (no inhibition) and negative controls contained tracer only (100% inhibition). The samples were incubated at room temperature for 1 hr (XIAP and clAP-2) or 3hrs (clAP-1 ) prior to being read in the BMG Pherastar in Fluorescence Polarization mode (FP 485nm, 520nm, 520nm). 
6886	1	Receptor Tyrosine Kinase Activity Assay	Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Germany) is used. For the assay, 1 uL of a 51-fold concentrated solution of the test compound in DMSO is pipetted into a white 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 25 uL of a solution of c-Met (final concentration 30 nM) and pyruvate kinase/lactate dehydrogenase (Roche Diagnostics, Mannheim, Germany; final concentration 8 mg/L) in assay buffer [3-(N-morpholino)propanesulfonic acid (MOPS), 50 mM, pH 7; MgCl2, 10 mM; bovine serum albumin (BSA), 0.01%; Triton X 100, 0.01%; DTT, 2 mM] are added, and the mixture is incubated for 5 min at room temperature. Then, the kinase reaction is started by the addition of 25 uL of a solution of adenosine triphosphate (ATP, final concentration 30 uM), substrate (final concentration 100 uM), nicotinamide adenine dinucleotide.
6887	1	In vitro Assay	The method of determining thioredoxin activity is based on the reduction of insulin by thioredoxin. Thioredoxin is reconstituted is by thioredoxin reductase, with NADPH. The resulting free thiol -SH groups react with 5,5&#8242;-dithiobis-2-nitrobenzoic acid (DTNB). The termination of the reaction results in the formation of a red colour. The intensity of colouration is determined spectrophotometrically at 412 nm and this corresponds to the number of reduced sulfahydryl groups. The reaction was performed at 37° C. over 30 min. in a buffer containing 50 mM Tris-HCl and 20 mM EDTA at a pH of 7.6. The substrate concentrations used were: 0.25 &#956;M human recombinant thioredoxin and 0.325 &#956;M rat recombinant thioredoxin reductase (IMCO Corporation Ltd AB, Sweden) and 316 &#956;M of insulin, 0.8 &#956;M NADPH, 8 mM DTNB (Sigma Aldrich).
6888	1	Fluorescence Quench Assay	The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluor488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-(QXL 520)-OH (SEQ ID NO:1) (AnaSpec, San Jose, Calif.) and truncated human beta-secretase, BACE1 (amino acids 1-454) fused to a myc-his tag and secreted from HEK293/BACEetc. cells into OptiMEM (Invitrogen). The substrate was dissolved at 1 mg/ml in DMSO.The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing the ectodomain of BACE1, 25 ul water containing the desired 2-fold concentration of test compound and 2% DMSO, 1 uM substrate peptide, 20 mM NaOAc, pH 4.4, and 0.04% Triton-X100 in a total assay volume of 50 ul in a 384 well plate. In general, 25 ul of compound dilution were added to the plate followed by the addition of 10 ul of BACE1 containing OptiMEM.
6890	1	Binding Assay	CHO cells (ATCC No. CCL-61), in which A1 and A3 adenosine receptors were expressed, were cultured in F-12 media (Gibco, U.S.A.) supplemented with 10% fetal bovine serum (FBS) and penicillin/streptomycin (100 units/ml and 100 g/ml), at 37 °C in a 5% CO2 atmosphere. A predetermined amount of suitable hAR-expressed CHO cells was mixed with labeled ligands (1 nM [3H]CCPA and 0.5 nM [125I]AB-MECA) specifically binding to A1 and A3 adenosine receptors in a 50/10/1 buffer in test tubes . The derivatives of the present invention were dissolved at various concentrations in dimethylsulfoxide (DMSO) and diluted in the buffer, taking care that the final concentration of DMSO did not exceed 1%. Incubation for 1 hr in a 370C incubator was followed by rapid filtration in a vacuum using a cell collector (TOMTEC, U.S.A.). Subsequently, the test tubes were washed three times with 3 ml of the buffer before radioactivity was measured using a -counter.
6891	1	Fluorescence Polarization	Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) may be determined using a variety of known methods. One such assay is a sensitive and quantitative in vitro binding assay using fluorescence polarization ("FP") described by Wang, J.-L.; Zhang, Z-J.; Choksi, S.; Sjam. S.; Lu, Z.; Croce, C. M.; Alnemri, E. S.; Komgold, R.; Huang, Z. Cell permeable Bcl-2 binding peptides: a chemical approach to apoptosis induction in tumor cells. Cancer Res. 2000, 60, 1498-1502).Additionally, the binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) to Bcl-2 protein in vitro was determined by a competitive binding assay based on fluorescence polarization. For example, fluorescence polarization ("FP") assays may be developed using a c-terminal 6.times.HIS tagged Bcl-2 (aa 1-204) and a C-terminal 6.times.HIS tagged Bcl-X.sub.L (aa 1-209). The tracer may be a synthetic peptide BH-3 peptide Bim conjugated to Fluores.
6894	1	HTRF Biochemical Assay	Among the advantages of this Abeta 42 HTRF gamma-secretase assay is the construction of the biotinylated, recombinant CT6-I45F substrate, which has provided a highly active substrate allowing for increased sensitivity and detection of gamma-secretase activity. This recombinant protein is based on the sequence of APP, but has a truncation that removes an auto-inhibitory domain. This provides markedly increased activity. Furthermore, an AviTag site has been cloned into the vector encoding this substrate. Consequently, overproduction of the CT6-I45F substrate in the presence of biotin ligase and biotin results in direct biotinylation of our substrate. This novel approach further increases the sensitivity of the assay. Other attempts at development of a high throughput gamma-secretase assay that screens for Abeta 42 have been unsuccessful. This is the first successful development of a biochemical assay that screens for gamma-secretase cleavage at the Abeta 42-site.
6895	1	Inhibition Assay	To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1:3) from 200 uM to 0.091 uM are prepared (resulting final concentrations in the test: 4 uM to 0.0018 uM). In each case 2 ul of the diluted substance solutions are placed into the wells of microtitre plates (Isoplate-96/200 W; Perkin Elmer). Subsequently, 50 ul of a dilution of the above-described PDE 5 preparation are added. The dilution of the PDE 5 preparation is selected such that, during the later incubation, less than 70% of the substrate is converted (typical dilution: 1:100; dilution buffer: 50 mM tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H]cyclic guanosine-3',5'-monophosphate (1 uCi/ul; Perkin Elmer) is diluted 1:2000 with assay buffer (50 mM tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA).
6896	2	IMAP-FP Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 mL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0133 ng/mL (0.316 nM) of phosphorylated active mERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-5FAM (5-carboxyfluorescein)-COOH), and 75 uM ATP.
6896	1	IMAP-FP Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 mL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-5FAM (5-carboxyfluorescein)-COOH), and 75 uM ATP.
6897	1	Inhibition Assay	Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 well plates at 50 &#956;L/well. In addition, test compounds diluted with PBS were added at 50 &#956;L/well. Xanthine (Wako) at 200 &#956;M prepared with PBS was added at 100 &#956;L/well, and the reaction was conducted for 10 minutes at room temperature. Absorbance at 290 nm was measured using a microplate reader SpectraMax Plus 384 (Molecular device). The absorbance under a condition without xanthine is 0%, and control without test compounds is 100%. 
6898	1	Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L), 400 mM Tris-HCl buffer (pH 8.0, 25 &#956;L) and 0.5 mg/mL fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-&#946;-Naphtylamide, 25 &#956;L) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm.
6898	2	Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L) was mixed with 20 &#956;M fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 &#956;L) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm.
6899	1	Biochemical Assay	ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 containing 1 mM MnCl.sub.2, 5 mM MgCl.sub.2, 1 mM DTT, 3 microM Na.sub.3VO.sub.4, and 0.2 mg/mL BSA. 3.times.KB is buffer of the same composition and pH as KB, but with three times the concentration of each component.Assay ConditionsThe kinase assay was run with a final enzyme concentration of 20 nM, in the presence of 8 microM ATP, 1 nM .sup.33P-.gamma.-ATP and 2 microM MBP. The MPB was purchased from Sigma-Aldrich, St. Louis, Mo., USA.
6899	2	Biochemical Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A specific substrate was incubated with the kinase in appropriate buffer conditions in the presence of ATP traced with .sup.33P-.gamma.-ATP (gamma phosphate-labeled, Redivue.TM. Code Number AH9968, 1000-3000 Ci/mmole, Amersham Biosciences Piscataway, N.J., USA), optimal cofactors and test compound.At the end of the phosphorylation reaction, more than 98% cold and radioactive ATP were captured by an excess of Dowex ion exchange resin. The resin was allowed to settle to the bottom of reaction wells by gravity. Supernatant, containing substrate peptide, was subsequently withdrawn and transferred into a counting plate, and radioactivity (corresponding to phosphate incorporated into peptide) was evaluated by .beta.-counting.  Assay Conditions:The kinase assay was run with a final enzyme concentration of 6 nM, in the presence of 6 microM ATP, 1 nM .
6899	3	Biochemical Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A specific substrate was incubated with the kinase in appropriate buffer conditions in the presence of ATP traced with .sup.33P-.gamma.-ATP (gamma phosphate-labeled, Redivue.TM. Code Number AH9968, 1000-3000 Ci/mmole, Amersham Biosciences Piscataway, N.J., USA), optimal cofactors and test compound.At the end of the phosphorylation reaction, more than 98% cold and radioactive ATP were captured by an excess of Dowex ion exchange resin. The resin was allowed to settle to the bottom of reaction wells by gravity. Supernatant, containing substrate peptide, was subsequently withdrawn and transferred into a counting plate, and radioactivity (corresponding to phosphate incorporated into peptide) was evaluated by .beta.-counting.  Assay Conditions:The kinase assay was run with a final enzyme concentration of 6 nM, in the presence of 6 microM ATP, 1 nM .
6900	1	FLIPR Assay	Activation of the mGluR5 receptor expressed in cell lines results in an increase in intracellular calcium concentration. Using calcium sensitive fluorescent dyes and a suited fluorescence plate reader this functional response is detectable and quantifiable. This technique could be used to characterize pharmacological modifications of the mGluR5 receptor.[Ca]i measurements were performed in HEK293 cells stably expressing the full-length human mGlu5a receptor under the control of a tet-regulated promoter. Cells were cultivated in Dulbecco's modified eagle's medium (DMEM) with 10% fetal calf serum, 100 ug/ml HygromycinB, 500 ug/ml G418 and 2 ug/ml Tetracycline in a 37, 95% humidity and 5% CO2 incubator. Confluent cell cultures were split on a bi-weekly schedule.72 hours prior to the assay run mGluR5a expression was induced by replacing the culture medium by DMEM with 10% fetal calf serum without antibiotics.
6900	2	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	In vitro inhibition of 11beta -HSD1 was determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisolgenerated from cortisterone by human liver microsomes. Compounds were incubated for 1 hour at 37 C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (200 uM) and cortisone (80 nM). Cortisol generated in the reaction was then detected by a competitive immunoassay involving two HTRF conjugates: cortisol linked to XL665 and anticortisol antibody labeled with Europium cryptate. The incubation period for detection reaction was 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). The ratio of the two emission signals was then calculated (Em665*10000/Em615). Each assay contained incubations with vehicle controls instead of compound as controls for non-inhibited cortisol generation.
6901	1	FRET Assay	Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20x in KH2PO4 buffer. Ten uL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25 uL of 50 mM KH2PO4, pH 4.6, 1 mM TRITON X-100, 1 mg/mL Bovine Serum Albumin, and 15 uM of FRET substrate) (See Yang, et. al., J. Neurochemistry, 91(6) 1249-59 (2004)). The content is mixed well on a plate shaker for 10 minutes. Fifteen uL of two hundred pM human BACE1 (1-460):Fc (See Vasser, et al., Science, 286, 735-741 (1999)) in the KH2PO4 buffer is added to the plate containing substrate and test compounds to initiate the reaction. The RFU of the mixture at time 0 is recorded at excitation wavelength 355 nm and emission wavelength 460 nm, after brief mixing on a plate shaker. The reaction plate is covered with aluminum foil and kept in a dark humidified oven at room temperature for 16 to 24 h.
6902	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contained an N-terminal QSY7 moiety that served as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence was low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors was manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul were preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30 C. in reaction buffer containing 20 mM Na-Acetate pH 5.0.
6903	1	FLIPR Ca2+ Flux Assay	The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined without undue experimentation by methodology well known in the art, including the FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove's modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 ug/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine.
6904	1	Radioligand Binding Assay	Membrane Preparation and Radioligand Binding. HEK-293 cells stably expressing mouse TAA 1 were maintained at 37 C and 5% C02 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56 C), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/ EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4 C, frozen and stored at -80 C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000 x g for 30 min at 4 C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm).
6904	2	Radioligand Binding Assay	HEK-293 cells stably expressing rat TAAR1 were maintained at 37 C and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56 C), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/ EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4 C, frozen and stored at -80 C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000 x g for 30 min at 4 C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA.
6905	1	SPA Assay	The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]-N-&#945;-methylhistamine binding to CHO-K1 membranes expressing human histamine H3 receptors (full-length H3, the most prevalent brain isoform 445). In 200 &#956;l 96-well SPA format, human H3 membranes (12.5 &#956;g protein/well) and 1.4 nM [3H]-N-&#945;-methylhistamine were/can be incubated with at least one compound in accordance with formula I, Ia, Ib, and/or Ic for 1.5 hrs to determine percent effect with respect to total (1% DMSO) and non-specific binding (10 &#956;M imetit). Reproducibility of the assay is such that IC50 curves can be generated in singlicate.
6905	2	Guanosine 5'-O-(3-[35S]thio)triphosphate [GTP gamma S] Binding Assay	A GTP gamma S binding assay can be used to investigate antagonist properties of compounds in CHO cells (Chinese Hamster Ovary) transfected with human Histamine H3 receptor (hH3R). Membranes from CHO cells expressing hH3R (10 ug/well) are diluted in GTP gamma S assay buffer (20 mM Hepes, 10 mM MgCl2, 100 mM NaCl, pH 7.4) and preincubated with saponine (3 ug/ml), GDP (10 uM) and PVT-WGA SPA beads (125 ug/well) (Amersham) for 30 minutes. To determine antagonist activity, (R)-methyl histamine (30 nM) is added in 96 well SPA plate with [35S]GTP gamma S (0.2 nM) and various concentration of H3R antagonists. The GTP gamma S binding assay is started with addition of the mixture membrane/saponine/GDP and incubated for 90 minutes at room temperature. The amount of bound [35S]GTP gamma S is determined by using the MicroBeta Trilux counter (PerkinElmer). The percentage of [35S]GTP gamma S bound in each sample is calculated as a percentage of that bound control sample.
6906	1	FRET-Based Binding Assay	Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This assay was developed from hA2A receptor that was fused at its amino terminal domain to Green Fluorescent Protein (GFP) and stably expressed in HEK cells. The probe used is a dyed ligand derived from the non-selective CGS15943. For the FRET-binding experiment, HEK GFP-A2A stable cell line was seeded onto poly-D-lysine precoated black-walled 96-well plates in normal growth media (0.7 105 cells per well). After 24 hours of culture at 37 ° C., the cell media was removed and cells were washed. The tested compounds were applied on cells by the FLIPRTETRA (Molecular Devices ) and incubated for 10 minutes prior to addition of the dyed probe. When a drug interacts with the receptor, the FRET signal measured by the variation of GFP fluorescence at 510 nm is disrupted. The time curves of ligand binding were recorded during 1000 seconds.
6907	1	Inhibition Assay	Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistry, (1999) 267, 319-330). The conversion of 17-alpha -hydroxy pregnenolone to Dehydroepiandrosterone is accompanied by the release of acetic acid. In the Cyp17 lyase assay, 17-alpha -hydroxy pregnenolone labeled with tritium (3H) at position 21 is used as the substrate. Chloroform extraction removes the radioactive steroids and acetic acid is taken into aqueous layer. The tritiated acetic acid released in the assay thus extracted is quantified to determine the enzyme activity.Initial buffer conditions were, 50 mM Phosphate buffer, pH 7.5 was used as the starting buffer for Cyp17 lyase activity based on the data published in US patent publication No. US2004/0198773 A1. This buffer was found to be suitable for regular Cyp17 lyase assay. Human Cyp 17 gene was cloned and expressed in Adenoviral expression system in A549 cell lines.
6908	2	sEH Assay	See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.
6908	1	ADP-Glo Kinase Assay	Inhibitor Concentration at 50% enzyme inhibition (IC50) values were calculated by quantifying the end-point ADP production from each kinase reaction using the ADP-Glo Kinase Assay (Promega, Madison, Wis.) as described by the manufacturer. Reactions were performed in Tris buffer (50 mM pH 7.5, RT) containing 20 mM MgCl2 and 0.1% Bovine Serum Albumin. Each assay was performed in 60 uL of the solution in 10x75 mm borosilicate glass test tubes and allowed to continuously shake during the duration of the assay. The total ADP generated was quantified by transferring 25 uL (2x) of each assay to a 96-well luminescence assay plate, followed by the addition of 25 uL of ADP-Glo Reagent (45 min incubation) to remove any remaining ATP. For luminescence readings, 50 uL of Kinase Detection Reagent (45 min incubation) was added to convert the ADP generated from the kinase reaction to ATP, and luminescent intensity was measured using a luciferase/luciferin reaction.
6909	1	Inhibition Assay	MAO-A and MAO-B activity was measured using radioactive substrates. The substrate for MAO-A was 5 HT and for MAO-B was PEA. When measuring the activity of MAO-A, the MAO-B activity was inhibited with deprenyl and when measuring the activity of MAO-B the activity of MAO-A was inhibited with clorgylin. Blank samples were produced using TCP to inhibit both of the enzymes. The metabolites were extracted to toluene and read in a &#946; -counter. The results are expressed in relative activity and normalized to the amount of protein in the tissue. Figs. 1 and 2 show MAO-A/MAO-B activity of compounds 3, 4 and of 0-Methyl-M3O at various concentrations (10 -"5 -10 -"8 ). As presented in Figs. 1 and 2, it can be seen that compounds 3, 4 and 0-Methyl-M3O were all potent inhibitors of MAO-A and MAO-B extracted from rat brain, compound 3 clearly the most potent inhibitor of the three compounds. 
6910	1	Binding Assay	The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombinant human ERalpha and ERR proteins were purified from transfected Sf9-cells. The in vitro assays involved the use of either ERalpha or ERbeta proteins and [3H]E2, at a fixed concentration of 0.5 nM, as the labeled ligand. Recombinant human ERalpha or ERbeta proteins were dissolved in binding buffer (10 mM Tris-HCL, pH 7.5, 10% glycerol, 1 mM DTT, 1 mg/ml BSA) and duplicate aliquots were then incubated with [3H]E2 at a final concentration of 0.5 nM, together with a vehicle control (0.4% DMSO), or the same amount of vehicle containing increasing concentrations of unlabeled steroid ligands as competitors. After incubation for 2 h at 25 C., the unbound ligands were removed and the amounts of [3H]E2 bound to either ERalpha or ERbeta proteins were measured.
6912	1	Receptor Binding Assay	Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the ability to displace 3H-progesterone as reference substance from the receptor. If a compound has an affinity corresponding to progesterone, this corresponds to a competition factor (CF) of 1. CF values greater than 1 are characterized by a lower affinity for the progesterone receptor, and CF values of less than 1 are characterized by higher affinity.
6912	3	Receptor Binding Assay	Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the ability to displace 3H-progesterone as reference substance from the receptor. If a compound has an affinity corresponding to progesterone, this corresponds to a competition factor (CF) of 1. CF values greater than 1 are characterized by a lower affinity for the progesterone receptor, and CF values of less than 1 are characterized by higher affinity.  The test was carried out as test above, with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the reference substance was 3H-testosterone.
6912	2	Receptor Binding Assay	Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the ability to displace 3H-progesterone as reference substance from the receptor. If a compound has an affinity corresponding to progesterone, this corresponds to a competition factor (CF) of 1. CF values greater than 1 are characterized by a lower affinity for the progesterone receptor, and CF values of less than 1 are characterized by higher affinity.  The test was carried out as test above, with the following modifications: cytosol from mineralocorticoid receptor-expressing insect cells (Hi5) was used, and the reference substance was 3H-aldosterone.
6914	1	LANCE Ultra cAMP Assay	The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated cAMP production utilizing a LANCE Ultra cAMP kit (PE #TRF0263) in CHO cells expressing human H3 receptors (GenBank: BC096840; Strausberg R L et al, Proc. Natl. Acad. Sci. U.S.A. 99(26), 16899-16903; 2002).Protocol:1. Preparation of the stimulation buffer (30 ml): 29.4 ml HBSS (GIBCO #14025), 150 ul 1 M HEPES (GIBCO #15630), 30 ul 500 mM IBMX (CALBIOCHEM #410957) and 400 ul 7.5% BSA (GIBCO #10438-026).2. Preparation of assay plate: Different concentrations of the compounds of the invention (0.01-1000 nM), H3 positive controls and cAMP calibration standards; 3 mM Forskolin (CALBIOCHEM #344270); 5 uM (R)-alpha-methylhistamine (H3 receptor agonist); 1% DMSO (SIGMA #D2650); total volume: 95 nl.3. Preparation of the cell solution: Collect cells with stimulation buffer, final density: 100,000 cells/ml.4.
6914	2	Radioligand Binding Assay	The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N-alpha -Methylhistamine (PerkinElmer, #NET1027250UC) to membranes containing human H3 receptors (PerkinElmer, #ES-392-M400UA; GenBank: NM-007232.2; Hill S J et al, International Union of Pharmacology XIII. Classification of histamine receptors, Pharmacol Rev, 49(3), 253-278, 1997).Protocol:1. Preparation of binding assay buffer (500 ml): 25 ml 1 M Tris-HCl pH 7.5 (Invitrogen, #15567-027), 2.5 ml 1 M MgCl2 (Sigma, #M1028-100 mL), 472.5 ml ddH2O.2. Compound serial dilution: Dilution was performed by BioTek Precision on compound dilution plate. Compound concentrations start at 5 or 10 uM, 10 point dose titrations with 3- or 5-fold serial dilutions.3. Preparation of 2x membrane solution (25 ml): 1.25 ml human Histamine H3 receptor stock, 23.75 ml assay buffer.4.
6915	1	Inhibition Assay	The in vitro inhibitory activities of the compounds towards the subtype HDAC1 were tested according to the instructions in the HDAC1 Inhibitor Drug Screening Kit (Biovision).  The compound to be tested was diluted using DMSO with a four times dilution method to give 10 diluted concentrations, i.e. 500 &#956;M, 125 &#956;M, 31.25 &#956;M, 7.81 &#956;M, 1.95 &#956;M, 0.49 &#956;M, 0.12 &#956;M, 0.03 &#956;M, 7.6 E-03 &#956;M and 1.9 E-03 &#956;M in sequence. 
6917	1	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 ul/well of 1 mM fluoxetine dissolved in DMSO. 20 ul/well of a 2x membrane preparation (15 ug/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 20 ul/well of a 2x radioligand solution (520 pM [125I]RTI-55 in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to each well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6917	2	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 ul/well of 1 mM GBR-12935 dissolved in DMSO. 20 ul/well of a 2x membrane preparation (12.5 ug/ml in 30 mM sodium phosphate buffer, pH 7.9 at 4 C.) and 20 ul/well of a 2x radioligand solution (250 uM [125I]RTI-55 in 30 mM sodium phosphate buffer, pH 7.9 at 4 C.) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum-filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6918	1	Inhibition Assay	Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was evaluated fluorometrically using H-Gln-beta NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of beta -naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-beta NA from H-Gln-beta NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30 C. utilizing the NOVOStar reader for microplates (BMG labtechnology).
6919	1	Inhibition Assay	For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5x104 cells/well in RPMI medium 1640 containing 10% fetal bovine serum. The cells were used 1 day after plating. They were incubated in pretreatment buffer (10 mM HEPES, 5 mM Tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, and 1 mM MgCl2, pH 7.4) at 37 C. for 10 min. They were then incubated in uptake buffer (10 mM HEPES, 5 mM Tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mM 14C-nonlabeled AMG pH 7.4) containing 14C-labeled AMG (8 uM) and the inventive compound or dimethyl sulfoxide (DMSO) vehicle at 37 C. for 2 h. Cells were washed twice with washing buffer (pretreatment buffer containing 10 mM AMG at room temperature) and then the radioactivity was measured using a liquid scintillation counter. IC50 was determined by nonlinear regression analysis using GraphPad PRISM [Katsuno, K. et al. J. Pharmacol. Exp. Ther. 2007, 320, 323-330].
6920	1	Inhibition Assay	For the measurement of &#946;-lactamase inhibitory activity, 100 &#956;M (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% DMSO, 10 &#956;g/mL bovine serum derived albumin (Sigma-Aldrich) and 50 mM phosphate buffer at pH 7.0 were used as a reaction solution. To each well of a 96-well plate were added test compounds (compounds shown in Table 14) and AmpC (final concentration 0.5 nM), followed by pre-incubation at 30° C. for 10 minutes. Nitrocefin was added to each well to be mixed therein, followed by incubation at 30° C. for 20 minutes, and Multiskan Ascent (Thermo Fisher Scientific) was used to measure 492 nm wavelength, thereby measuring nitrocefin hydrolytic activity of AmpC, to determine enzyme inhibitory activity. As a control, a reaction solution excluding AmpC was prepared, and the concentration of a test compound exhibiting 50% inhibition was determined to be IC50 value.
6921	1	Enzyme Inhibition Assay	Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer (50 mM sodium phosphate, pH 7.4) yielded a final DMSO concentration <=2%. Enzyme and compounds were set to pre-incubate in flat-bottomed microtiter plates for approximately 60 minutes before initiating the reaction by addition of a mixture of HRP, benzylamine and Amplex reagent. Fluorescence intensity was then measured at several time points (15 minutes, 20 minutes and 30 minutes) exciting at 544 nm and reading the emission at 590 nm). Final concentrations of the reagents in the assay wells were: SSAO enzyme 2 ug/ml, benzylamine 100 uM, Amplex reagent 20 uM.
6922	1	Inhibition Assay	A test for MGAT2 inhibitory action of test compounds was conducted in accordance with a partially modified version of the method described in John F. Lockwood et al., Am. J. Physiol. Endocrinol. Metab., 2003, 285, E927.Bac-to-Bac Baculovirus Expression System (Life Technologies Japan) was used to express human MGAT2 in insect cells (Sf9) (Life Technologies Japan). These cells were sonicated and centrifuged at 100,000 g.times.1 hr to give a precipitate. The precipitate was used as a human MGAT2 enzyme fraction in this assay.This test was conducted using a black flat-bottom 96-well plate (Corning). A buffer solution with final concentrations of 5 mM magnesium chloride, 100 mM sucrose and 100 mM Tris-HCl (pH=7.5) was prepared and test compounds prepared in various concentrations using dimethyl sulfoxide were added thereto to give a final dimethyl sulfoxide concentration of 1%. The MGAT2 enzyme fraction was added thereto to give a final concentration of 0.5 .mu.g/ml.
6922	2	Inhibition Assay	An MGAT2 inhibition test for test compounds was conducted in accordance with a partially modified version of the method described in John F. Lockwood et al., Am. J. Physiol. Endocrinol. Metab., 2003, 285, E927.A 10 mg/mL microsomal fraction of human small intestine (duodenum- and jejunum-derived fraction purchased from Becton Dickinson Japan) was used as an enzyme source.The test was conducted using a flat-bottom 96-well plate (Corning).A buffer solution with final concentrations of 5 mM magnesium chloride, 1.25 mg/ml bovine serum albumin and 100 mM Tris-HCl (pH=7.5) was prepared and the microsomal fraction of human small intestine was added thereto to give a final concentration of 5 .mu.g/ml. Test compounds prepared in various concentrations using dimethyl sulfoxide were added thereto to give a final dimethyl sulfoxide concentration of 1% and a reaction was performed at room temperature for 5 min.
6923	1	Enzyme Assay	Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAMKKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4.
6924	1	Enzymatic Assay	The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol. Chem., 1971, 246, 7566-8; and Vincenzetti S. et al., Protein Expr. Purif. 1996, 8, 247-53 was used to determine the inhibitory activity (IC50) of compounds described herein. Using this assay, the IC50 of these compounds was determined by following the decrease of substrate (cytidine) caused by the deamination reaction catalyzed by CDA. Disappearance of substrate (cytidine) over time was monitored by the absorbance at 280 nm of the reaction.  The assay reaction was carried out in potassium phosphate buffer (pH 7.4, 20 mM, containing 1 mM DTT) in a total volume of 100 ul in a 96-well plate format. The final reaction mixture contained cytidine (50 uM) and purified human recombinant CDA. Purified enzyme was diluted so as to produce an absorbance change of approximately 2 milli-absorbance units/minute.
6925	1	Inhibition Assay	The method employed was adapted from the scientific literature and described in detail by Osboum et al. (1993, Biochemistry, 32, 6229-6236). Recombinant human ERalpha and ERbeta proteins were purified from transfected Sf9-cells. The in vitro assays involved the use of either ERalpha or ERbeta proteins and [3H]E2, at a fixed concentration of 0.5 nM, as the labeled ligand. Recombinant human ERalpha or ERbeta proteins were dissolved in binding buffer (10 mM Tris-HCL, pH 7.5, 10% glycerol, 1 mM DTT, 1 mg/ml BSA) and duplicate aliquots were then incubated with [3H]E2 at a final concentration of 0.5 nM, together with a vehicle control (0.4% DMSO), or the same amount of vehicle containing increasing concentrations of unlabeled steroid ligands as competitors. After incubation for 2 h at 25 C., the unbound ligands were removed and the amounts of [3H]E2 bound to either ERalpha or ERbeta proteins were measured.
6926	1	Inhibition Assay	On the day of the uptake experiment, 10 mM HEPES was added to Hank's Balanced Salt Solution, and the pH was adjusted to 7.4 with TRIS (HBSSH). The assay buffer was prepared by adding 100 uM [3H]-taurocholate and 10 uM cold taurocholate to room temperature HBSSH. A separate washing buffer was prepared by adding 10 uM cold taurocholate to HBSSH (30 ml per assay plate) and placed on ice. Using 100% DMSO, 8 point, 3-fold dilution curves for each test compound was prepared starting at 200 uM. Similarly, an 8 point dose response curve was prepared of the control compound [(3R,5R)-3-butyl-3-ethyl-7,8-bis(methyloxy)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide (Brieaddy, L. E. WO9605188, 1996)] starting at 1.8 mM. Drug plates were created by adding 3 uL of each concentration to a v-bottom 96-well plate then diluted 60-fold with 177 uL of assay buffer. Plates were removed from the incubator and allowed to cool to ambient temperature.
6927	1	Fluorescence Polarisation Assay	In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/ml of topologically relaxed plasmid containing the triplex-forming sequence TTCTTCTTCTTCTTCTTCTTCTTCTTC in an assay buffer consisting of 35 mM Tris-HCl (pH 7.5), 24 mM KCl, 4 mM MgCl2, 2 mM dithiothreitol, 1.8 mM spermidine, 5% (v/v) glycerol, 200 nM bovine serum albumin, 0.8% dimethylsulfoxide, and 0.3 mM ATP may be incubated at ambient temperature for (typically 30 minutes) in the absence or presence of 5-10 different concentrations of test compound. The supercoiling reactions may be quenched by the addition of 10 microliters/well of 40 nM oligodeoxynucleotide probe in 3x triplex-forming buffer consisting of 150 mM NaCl, and 150 mM sodium acetate at pH 3.5. The oligodeoxynucleotide probe may be 5x-BODIPY-FL-labeled TTCTTCTTC. After 60 minutes, the fluorescence anisotropy of the BODIPY-FL may be measured in a Tecan Ultra plate reader, using 485 nM.
6928	2	Radioligand Binding Assay	Radioligand binding: human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2009, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). 
6929	1	ATPase Assay	The ATP hydrolysis activity of S. aureus DNA gyrase is measured by coupling the production of ADP through pyruvate kinase/lactate dehydrogenase to the oxidation of NADH. This method has been described previously (Tamura and Gellert, 1990, J. Biol. Chem., 265, 21342).ATPase assays are carried out at 30° C. in buffered solutions containing 100 mM TRIS pH 7.6, 1.5 mM MgCl2, 150 mM KCl. The coupling system contains final concentrations of 2.5 mM phosphoenol pyruvate, 200 &#956;M nicotinamide adenine dinucleotide (NADH), 1 mM DTT, 30 ug/ml pyruvate kinase, and 10 ug/ml lactate dehydrogenase. The enzyme (90 nM final concentration) and a DMSO solution (3% final concentration) of a compound is added. The reaction mixture is allowed to incubate for 10 minutes at 30° C. The reaction is initiated by the addition of ATP to a final concentration of 0.9 mM, and the rate of NADH disappearance is monitored at 340 nanometers over the course of 10 minutes. 
6929	2	ATPase Assay	The conversion of ATP to ADP by S. aureus TopoIV enzyme is coupled to the conversion of NADH to NAD+, and the progress of the reaction is measured by the change in absorbance at 340 nm. TopoIV (64 nM) is incubated with the selected compound (3% DMSO final) in buffer for 10 minutes at 30 ° C. The buffer consists of 100 mM Tris 7.5, 1.5 mM MgCl2, 200 mM K.Glutamate, 2.5 mM phosphoenol pyruvate, 0.2 mM NADH, 1 mM DTT, 5 g/mL linearized DNA, 50 g/mL BSA, 30 g/mL pyruvate kinase, and 10 g/mL lactate dehyrodgenase (LDH). The reaction is initiated with ATP, and rates are monitored continuously for 20 minutes at 30 ° C. on a Molecular Devices SpectraMAX plate reader.
6930	1	Competitive Inhibition Assay	A competitive inhibition binding assay was performed for exemplified peptides according to the invention using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, or hMC5-R, and from B-16 mouse melanoma cells (containing endogenous MC1-R). In some instances, HEK-293 cells that express recombinant hMC1-R were employed. Assays were performed in 96 well GF/B Millipore multiscreen filtration plates (MAFB NOB10) pre-coated with 0.5% bovine serum albumin (Fraction V). Membrane homogenates were incubated with 0.2 nM (for hMC4-R) 0.4 nM (for MC3-R and MC5-R) or 0.1 nM (for mouse B16 MC1-R or hMC1-R) [I125]-NDP-alpha -MSH (Perkin Elmer) and increasing concentrations of test peptides of the present invention in buffer containing 25 mM HEPES buffer (pH 7.5) with 100 mM NaCl, 2 mM CaCl2, 2 mM MgCl2, 0.3 mM 1,10-phenanthroline, and 0.2% bovine serum albumin. After incubation for 60 minutes at 37 C., the assay mixture was filtered and the membranes washed.
6931	1	Flashplate Assay	In vitro enzyme inhibition using scintillation of incorporated radio label (flashplate assay). Test compounds diluted in DMSO are mixed with a suitable substrate / co-substrate (here: bio- tinylated a-casein and 3P-ATP) in a corresponding assay buffer. Addition of the enzyme of interest (here: ALKl kinase) starts the enzyme reaction. The enzyme-catalyzed incorporation of radio label into the substrate is measured via scintillation. Incorporated radio label is separated from free radio label via specific binding of the biotinylated substrate to strepavidin-coated microliter plates (flashplates) and concomitant washing steps. The scintillation signal intensity (counts per minutes, cpm) is proportional to the enzyme activity. Enzyme inhibition results in a decreased signal intensity. IC50 values of the test compounds are determined by cpm-versus-[I] plots. Reaction buffer: Reaction buffer contains 50 mM Tris pi I 8.0 (Sigma), 1 mM MnCi2 (Sigma), 0.01% Nonidet P40 (Fluka).
6932	1	FLIPR Calcium Assay	Antagonizing effect of compounds for human GnRHR1 was evaluated by change of calcium levels in GnRH-stimulated cells. After removing the culture medium of HEK293 cells transiently expressing human GnRHR1, cells were washed with 200 .mu.L piper well of the washing buffer (Hank's Balanced Salt Solutions, 20 mM N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid, 1.3 mM calcium chloride, 0.5 mM magnesium chloride, 0.4 mM magnesium sulfate). One hundred .mu.L of the Ca.sup.2+sensitive dye solution (FLIPR Calcium Assay Kit (Molecular Devices)) was added to the well, and the cells were incubated for 1 hour at 37.degree. C., 5% CO.sub.2. Then, intracellular calcium levels were determined under the following condition by using FLEX STATION (Molecular Devices). In the equipment, which was warmed to 37.degree. C., 50 .mu.L of test compound diluted with the measurement buffer (the washing buffer with 0.1% Albumin bovine serum) was added to the well.
6933	1	Kinase Assay	Kinase assays were performed using the assay kit by Reaction Biology Corp (Malvern, Pa.). The compounds were tested at 10 concentrations by 3-fold serial dilutions starting at 30 &#956;M. Staurosporin was used as a control nonspecific kinase inhibitor. In vitro kinase reactions using purified kinases were carried out in the presence of 10 &#956;M ATP and test compounds.
6935	1	Inhbition Assay	For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK1 cDNA. The Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30° C. Protein expression was induced by the addition of 500 &#956;mol/L isopropyl-&#946;-thiogalactopyranoside. The Escherichia coli were cultured at 30° C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was purified using FLAG affinity gel (Sigma).The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N&#8242;-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% polyoxyethylene-polyoxypropylene block copolymer (Pluronic F-68, pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES-NaOH, 100 &#956;g/mL FLAG peptide, 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.
6935	2	Inhbition Assay	For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. The Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30 C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta -thiogalactopyranoside. The Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was purified using FLAG affinity gel. The gel was washed with 20 mmol/L HEPES-NaOH, 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES-NaOH, 100 ug/mL FLAG peptide, 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0). The eluted fractions containing FLAG-Tagged protein were pooled, dialyzed against 20 mmol/L HEPES-NaOH, 150 mmol/L sodium chloride.
6936	1	Inhibition Assay	The test was conducted according to the instructions in the HDAC Inhibitor Drug Screening Kit (Biovision/Catalog # 50051, BPS). The compound to be tested was diluted using DMSO with a four times dilution method to give 10 diluted concentrations, i.e. 500 µM, 125 µM, 31.25 µM, 7.81 µM, 1.95 µM, 0.49 µM, 0.12 µM, 0.03 µM, 7.6 E-03 µM and 1.9 E-03 µM in sequence.
6937	1	Inhibition Assay	Full-length human GCGR (Accession Number: NM000160) subcloned into pcDNA3.1 was stably transfected into HEK293 cells (hGluc-1 HEK) and maintained under G418 selection (500 ug/mL). Cell cultures were maintained in DMEM/F12 media supplemented with 10% FBS and 1% GlutaMax. Membranes were prepared from these cells as follows: cells were harvested from T225 flasks and re-suspended in hypotonic lysis buffer, 50 mM HEPES pH 7.4 supplemented with Complete Protease inhibitors (Boehringer Mannheim, Indianapolis, Ind.). Cells were dounced 20 times on ice and spun at 700xg to remove nuclei and unlysed cells. The resulting pellet was re-suspended in hypotonic lysis buffer and the above step was repeated. Supernatants from the low speed centrifugation were combined and subsequently spun at 100Kxg for 1 hr at 4 C. and the resulting pellet was re-suspended in buffer containing 50 mM HEPES pH 7.4 and 10% sucrose and the protein concentration was adjusted at 1 mg/mL as determined in the BCA assay.
6938	1	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
6939	1	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4ul/well of 1 mM fluoxetine dissolved in DMSO. 20 ul/well of a 2x membrane preparation (15 ug/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 20 ul/well of a 2x radioligand solution (520 pM [125I]RTI-55 in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to each well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 uA/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6939	2	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 ul/well of 1 mM GBR-12935 dissolved in DMSO. 20 ul/well of a 2x membrane preparation (12.5 ug/ml in 30 mM sodium phosphate buffer, pH 7.9 at 4 C.) and 20 ul/well of a 2x radioligand solution (250 pM [125I]RTI-55 in 30 mM sodium phosphate buffer, pH 7.9 at 4 C.) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum-filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6939	3	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1.0 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 1.0 ul/well of 10 mM desipramine dissolved in DMSO. 50 ul/well of a 2x membrane preparation (0.4 mg/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 50 ul/well of a 2x radioligand solution (4 nM [3H]nisoxetine in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4 C.
6940	1	Biochemical Assay	Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREEN method or both, and tested for their ability to inhibit SUMOylation of a target protein via SUMO E1 or SUMO E2. The assays were based on SUMOylation of the target protein RanGAP1, which is a protein that is efficiently SUMOylated with only the SUMO E1 and E2 enzymes, and does not use E3 ligases. A fluorescence resonance energy transfer (FRET) assay was the primary assay followed by a chemoluminescence-based secondary assay using ALPHA screen to eliminate false positive hits. Then, the hits were screened by a poly-ubiquitination assay using ubiquitin, ubiquitin E1, Ubc5 and Apc11 to eliminate inhibitors not specific to SUMOylation. The screening identified a potent family of SUMOylation inhibitors based on a tricyclic scaffold.
6941	1	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318).
6941	2	Cell-Free Assay	This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay BACE2 activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-KEISEISYEVEFR-C(Oregon green)-KK-OH. The BACE2 enzyme is available from Enzo Life Sciences (Cat # BML-SE550). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE2 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE2 is at a final concentration of 2.5 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 uL assay buffer (100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37 C.
6942	1	Fluorescence Quench Assay	Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor.TM.488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-(QXL.TM. 520)-OH (AnaSpec, San Jose, Calif.) and truncated human beta-secretase (residues 1-458, His.sub.6-tagged at the C-terminus) expressed in insect cells D. melanogaster S2 using a baculovirus expression system (Mallender et al., Characterization of recombinant, soluble beta-secretase from an insect cell expression system., Mol Pharmacol 59:619-26, 2001). The assay was performed at room temperature in 96-well white opaque Optiplates aque Optiplates (PerkinElmer, Waltham, Mass.) in a total volume of 200 .mu.l of the incubation mixture containing 50 mM sodium acetate buffer, pH 4.5, 0.4 .mu.M FRET substrate, 2.4 nM enzyme, 5% DMSO, and 0.05% Brij-35. The tested compounds were serially diluted in DMSO and pre-incubated with the substrate. The reaction was started by addition of enzyme.
6942	2	Fluorescence Quenching Assay (FRET)	For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fused to a myc-his tag and secreted from HEK293/BACE.sub.ect. cells into OptiMEM.TM. (Invitrogen) as enzyme source and a substrate peptide derived from the APP-Swedish mutation which possesses a Cy3-fluorophore at the N-terminus and a Cy5Q-quencher at the C-terminus (Cy3-SEVNLDAEFK-Cy5Q-NH2; Amersham). The substrate was dissolved at 1 mg/ml in DMSO.The assay was performed in the presence of 5 .mu.l OptiMEM (supernatant collected over 24 hours and cleared from cellular debris by centrifugation) containing the ectodomain of BACE, 25 .mu.l water containing the desired concentration of test compound and 1% DMSO, 1 .mu.M substrate peptide, 20 mM NaOAc, pH 4.4 and 0.04% Triton-X100 in a total assay volume of 50 .mu.l in a 384 well plate. In general, 25 .mu.l of compound dilution were given to the plate followed by the addition of 10 .mu.l of BACE.
6943	1	Radioligand Binding Assay	The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. Test compounds were dissolved to 10 mM in 100% DMSO, then serially diluted at 10x assay concentrations in 100% DMSO in 96-well polypropylene plates and further diluted to 4x assay concentrations with the assay buffer. Samples were incubated in 50 mM Tris-HCl, pH 7.5, 3 mM MgCl2, 1 mM EDTA and 10% DMSO with 10 nM [9-methyl-3H]BRL-43694 (Perkin Elmer), 3 ug of human 5-HT3 receptor membranes (Perkin Elmer) and 0.5 mg/mL SPA beads (WGA PVT, Amersham Biosciences) in a final volume of 0.2 mL. Binding reactions were set up in wells of PicoPlates-96 (Perkin Elmer) by adding consecutively 50 uL of each competing compound or buffer, SPA beads, the radioligand and 5-HT3 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm.
6944	1	Fluorometric Enzymatic Assay	The inhibition of the activity of Caspase-1 to -10 by four different compounds (#53, #111, #123 & Z-DEVD-FMK used as a prodrug: z-D(OMe)E(OMe)VD(OMe)FMK (comparison control compound, SM Biochemicals LLC, Cat# SMFMK003)) and their respective IC50 values were determined using a fluorometric enzymatic assay (Active Recombinant Caspase Set IV (BioVision, Cat# K233-10-25) and Caspase Fluorometric Substrate Set II Plus (BioVision, Cat# K137-9-25)) on a Flexstation 3x (Molecular Devices). In brief, each compound was serially diluted for a final test concentration range of 0.1 nM to 3.3 uM (10-point titration). Each active recombinant Caspase (Active Recombinant Caspase Set IV (BioVision, Cat# K233-10-25)) was added to the respective wells of the 96-well High Efficiency plates (Molecular Devices, Cat#75-000-0005), followed by the addition of the diluted test compounds. DMSO (Final=1%) or Z-VAD-FMK (Caspase-Family Inhibitor, Z-VAD-FMK (BioVision, Cat#1010-100).
6944	2	Fluorometric Enzymatic Assay	Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspase-9 (group II) and caspase-3 and caspase-7 (group III) was evaluated by using fluorometric methods using the Caspase-1, -3, -5, -7, -9 Inhibitor Drug Screening Kit (Catalog #: K151-100, K153-100, K155-100/K157-100, K159-100 respectively, BioVision).  Briefly, using instructions of the manufacturer, a wide range of different concentrations of the compound: 3333, 1000, 333, 100, 33, 10, 3, and 1 nM (final concentration) was added directly to the reaction mixtures containing the substrate and the enzyme in a final volume of 10 ul. After a 30-minute incubation at 37 C., the liberation of AFC was measured as an endpoint assay using the Flexstation3 (Molecular Devices) with an excitation wavelength of 400 nm and an emission wavelength of 505 nm. The level of inhibition of caspase-1, -3, -5, -7, -9 activity was determined by comparison.
6944	3	Inhibition Assay	To test the efficacy of caspase-3 inhibitors at the cellular level, the ability of selected compounds to inhibit the proteolytic cleavage of PARP (poly ADP-ribose polymerase) was evaluated in live Hela cells.Briefly, in this assay Hela cells are seeded in 96 well plates and incubated for 4 hours with staurosporine, a well characterized inducer of apoptosis, alone or together with different concentrations of compound (50, 25, 10 and 3 uM). After formaldehyde-based fixation, the cells are stained with a fluorescein-labeled anti-cleaved PARP antibody (Cell signaling, Cat#: 9547) and counterstained with Hoechst33342 (Invitrogen, Cat#: H3570) to mark all nuclei.
6945	1	Competition Binding Assay	The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists, Molecular Pharmacology 68(4):1039-1048 (2005). This radioligand binding assay used [3H]-SCH23390, a radiolabeled D1 ligand, to evaluate the ability of a test compound to compete with the radioligand when binding to a D1 receptor.D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390.  These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium.
6946	1	Radioligand Binding Assay	A bivalent ligand 1 (FIG. 14) that combines the pharmacophores of naltrexone (a MOR antagonist) and maraviroc (a CCR5 antagonist) into one molecule was designed and synthesized. Herein is reported the characterization of this novel molecular probe in for its binding affinity, Ca2&#8722; flux functional activity, and HIV-1 inhibition potency. Bivalent ligand 1 was first characterized in hMOR-expressed CHO cells in the competitive radioligand binding assay as described previously.
6946	2	Flux Assay	As Ca2+ flux is associated with the activation of the MOR, the functional activity of bivalent ligand 1, monovalent ligand 2, and naltrexone was then evaluated in a Ca2+ mobilization assay in hMORCHO cells transfected with chimeric Ca2+ following a published protocol.23 No agonism was observed for any of the tested compounds (data not shown). Thus, they were further assessed for their antagonist properties as the ability to inhibit DAMGO (a MOR agonist) induced Ca2+ flux.
6946	3	Radioligand Binding Assay	Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand binding assay was conducted in CCR5 rhesus macaque membrane preparations from Chem-1 cells. Monovalent ligand 3 and compound 4, an analogue of maraviroc, were tested along under the same condition. Introduction of the 4-NH2 group onto the phenyl ring of maraviroc, as seen in compound 4, caused approximately 65-fold decrease in the binding affinity, compared to maraviroc. The decrease of the binding affinity was even more profound for bivalent ligand 1 and monovalent ligand 3, as their Ki values dropped to submicromolar range, respectively.
6946	4	Flux Assay	Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As expected, no CCR5 agonism was detected for the bivalent ligand 1 (data not shown). In the RANTES induced Ca2+ flux inhibition assay (Table 3), the bivalent ligand 1 was approximately 60-fold less potent than maraviroc. A more significant potency decrease (nearly 300 times) was observed for the monovalent ligand 3, compared to maraviroc. In order to figure out the possible reasons for such a dramatic drop of their potency, two analogues (4 and 5, FIG. 14) of mavaviroc carrying gradient steric hindrance characters at the same substitution position were evaluated under the same condition. Compound 4 showed a modest reduction of the potency (Table 2). However, the inhibition potency of the N-t-Boc protected analogue 5 dropped to micromolar (IC50=1.57+/-0.18 uM). It thus appeared that steric hindrance may play an essential role.
6947	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections. The results of these experiments contributed to the definition of the efficacy profile of the compounds.
6948	1	FLIPR Calcium Assay	Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks&#39; balanced salt solution supplemented with 20 mM HEPES buffer (HBSS/HEPES) according to the manufacturer instructions. Prior to start of the assay, the medium was removed by aspiration, and cells were loaded with 100 &#956;L Ca2+ dye for 2 to 3 hours at room temperature. AITC (allyl isothiocyanate) was used to activate and open the channels. (4×) solutions of the test compounds were prepared in HBSS/HEPES, and 50 &#956;L were added to the cells at a delivery rate of 10 &#956;L/sec. Changes in fluorescence were measured over time in a fluorometric imaging plate reader (FLIPR, Molecular Devices). Two additions were made over the course of an experimental run. For agonist experiments, assay buffer was added at the 10 s time point, followed by addition of agonist at the 3 minute 10 sec time point. 
6949	1	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks.RTM. Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO.sub.2 incubator at 37.degree. C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 ml of Versene.TM. (Invitrogen 15040-066) for approximately 6 minutes at 37.degree. C. and suspended in 10 ml of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl.sub.2, 0.5 MgCl.sub.2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 ml of bath solution and placed in the IonWorks.RTM. instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl.
6950	1	Inhibition Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, Vila, IXa, Xa, Xlla, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art.
6951	1	Radioenzymatic Assay	The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pellet (500 &#956;g protein) was resuspended in 0.1 M phosphate buffer (pH 7.4). 200 &#956;l of the suspension were added to a 50 &#956;l solution of the test compound or buffer, and incubated for 30 min at 37° C. (preincubation) then the substrate (50 &#956;l) was added. The incubation was carried out for 10 minutes at 37° C. (14C-PEA, 0.5 &#956;M).The reaction was stopped by adding 0.2 ml of perchloric acid. After centrifugation, the deaminated metabolites were extracted with 3 ml of toluene and the radioactive organic phase containing the neutral and/or acidic metabolites formed as a result of MAO-B activity was measured by liquid scintillation spectrometry at 90% efficiency.
6952	1	Lanthascreen Competitive Binding Assay	The assay was performed according to manufacturer protocol. A mixture of 5 nM GST-PPARG-LBD, 5 nM Tb-GST-antibody, 5 nM Fluormone Pan- PPAR Green, and serial dilutions of the experimental compound, beginning at 10 &#956;&#924; downwards, was added to wells of black 384-well low- volume plates (Greiner) to a total volume of 18 xL. All dilutions were made in TR-FRET assay buffer C. DMSO at 2% final concentration was used as a no-ligand control. Experiment was performed in triplicate, and incubated for 2 hours in the dark prior to assay read in Perkin Elmer ViewLux ultra HTS microplate reader. FRET signal was measured by excitation at 340 nm and emission at 520 nm for fluorescein and 490 nm for terbium.
6954	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections.
6955	1	Enzyme Inhibition Assay	The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays were conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The Kd value (Dissociation constant value) was calculated as the index of affinity of the compounds to each kinase.  The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK).  The inhibitory activities of test compounds against the p38 MAPKalpha isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPKalpha protein (80 ng/mL, 2.5 uL) was mixed with the test compound (2.5 uL of either 4 ug/mL, 0.4 & 0.04 ug/mL).
6955	2	Enzyme Inhibition Assay	The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays were conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The Kd value (Dissociation constant value) was calculated as the index of affinity of the compounds to each kinase.  The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK).  The inhibitory activities of compounds of the invention against p38MAPKgamma (MAPK12: Invitrogen), were evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 uL) was incubated with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT.
6955	3	Enzyme Inhibition Assay	The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays were conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The Kd value (Dissociation constant value) was calculated as the index of affinity of the compounds to each kinase.  The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK).  The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 uL) was incubated with the test compound (either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL).
6955	4	Enzyme Inhibition Assay	The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays were conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The Kd value (Dissociation constant value) was calculated as the index of affinity of the compounds to each kinase.  The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK).  The inhibitory activities of test compounds against the GSK 3alpha enzyme isoform (Invitrogen), were evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-alpha protein (500 ng/mL, 2.5 uL) was mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL.
6955	5	Enzyme Inhibition Assay	The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays were conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The Kd value (Dissociation constant value) was calculated as the index of affinity of the compounds to each kinase. The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction were calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which low ratios indicate high phosphorylation and high ratios indicate low phosphorylation levels.
6956	1	Inhibition Assay	The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were chilled to 4 C. Sf9 cells expressing human (His)6DGAT1 were thawed at room temperature and re-suspended at a 10:1 ratio (mL buffer/g of cells) in 50 mM HEPES, 1x Complete Protease Inhibitor, pH 7.5. The re-suspended pellet was homogenized for 1 min using a Brinkman PT 10/35 homogenizer with a 20 mm generator. Cells were lysed using Avestin Emulsiflex (chilled to 4 C.) at 10000-15000 psi. Lysate was centrifuged at 100,000xg for 1 h at 4 C. Supernatant was removed and pellets were re-suspended in 50 mM HEPES, 1x Complete Protease Inhibitor, pH 7.5 at 1/6 the volume of supernatant. Re-suspended pellets were pooled and homogenized with 10 strokes of a Glas-Col motor driven teflon pestle on setting 70. The protein concentration of the membrane preparation was quantified using BCA protein assay with 1% SDS.
6957	1	Inhibition Assay	When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences, Inc.) was used as a substrate. The purified recombinant human FGFR2 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration that was 20 times higher than the final concentration. Next, the purified human FGFR2 protein, FL-Peptide 22 (final concentration: 1.5 .mu.M), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 75 .mu.M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25.degree. C. for 120 minutes to perform a kinase reaction. EDTA (final concentration: 30 mM) diluted with a separation buffer.
6957	2	Inhibition Assay	Purified recombinant human FGFR3 protein was purchased from Carna Biosciences, Inc.  When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR3 kinase activity, a biotinylated peptide (biotin-EEPLYWSFPAKKK) was synthesized for use as a substrate by utilizing the amino acid sequence of FL-Peptide 22 (Caliper Life Sciences, Inc.) with biotin. The purified recombinant human FGFR3 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration 20 times higher than the final concentration. Next, the purified human FGFR3 protein, substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 190 .mu.M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer.
6958	1	Enzyme Inhibition Assay	Quantitation of BPL catalysed 3H-biotin incorporation into the biotin domain substrate was performed as previously described by Polyak et al, J. Biol. Chem (1999) 274(46) 32847-54. Briefly, the reaction mixture contained: 50 mM Tris HCl pH 8.0, 3 mM ATP, 4.5 uM biotin, 0.5 uM 3H-biotin, 5.5 mM MgCl2, 100 mM KCl, 0.1 mg/mL BSA and 10 uM biotin domain of S. aureus pyruvate carboxylase. The reaction was initiated by the addition of BPL to a final concentration of 4 nM. After 20 minutes at 37 C., 4 uL aliquots of the reaction were spotted onto Whatman paper pre-treated with biotin and trichloroacetic acid. The filters were washed twice with 10% v/v ice-cold trichloroacetic acid and once with ethanol before air-drying. Quantitation of protein-bound radiolabelled biotin was performed by liquid scintillation. One unit of enzyme activity was defined by the amount of BPL required to incorporate 1 nmol of biotin per minute. The IC50 value of each compound was determined.
6960	1	Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 20 uM ATP, 0.2 uCi [gamma-33P] ATP, 4 nM PI3Kdelta. Reactions were incubated for 210 min and terminated by the addition of 40 uL SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 uM ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes.
6961	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfer (or Foerster resonance energy transfer) describes an energy transfer between donor and acceptor fluorescent molecules. For this assay, MDM2 protein (amino acids 2-188) and MDM4 protein (amino acids 2-185), tagged with a C-terminal Biotin moiety, are used in combination with a Europium labeled streptavidin (Perkin Elmer, Inc., Waltham, Mass., USA) serving as the donor fluorophore. The p53 derived, Cy5 labeled peptide Cy5-TFSDLWKLL (p53 aa 18-26) is the energy acceptor. Upon excitation of the donor molecule at 340 nm, binding interaction between MDM2 or MDM4 and the p53 peptide induces energy transfer and enhanced response at the acceptor emission wavelength at 665 nm. Disruption of the formation of the p53-MDM2 or p53-MDM4 complex due to an inhibitor molecule binding to the p53 binding site of MDM2 or MDM4 results in increased donor emission.
6962	1	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
6963	1	Ion Works Quattro (IWQ) Assay	In Vitro Assays 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the Ion Works Quattro automated electrophysiology system in accordance with the manufacturer&#39;s specifications (Molecular Devices, LLC, Sunnyvale, CA). Sodium channel currents were measured in response to a train of depolarizations that induced successively greater inactivation. 
6964	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive, time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on HTRF KinEASE-STK manual from Cisbio (6.1). Test compound, 1 uM STK3 peptide substrate, 4 nM of ASK1 kinase are incubated with 10 mM MOP buffer, pH. 7.0 containing 10 mM Mg-acetate, 0.025% NP-40, 1 mM DTT, 0.05% BSA and 1.5% glycerol for 30 minutes then 100 uM ATP is added to start the kinase reaction and incubated for 3 hr. Peptide antibody labeled with 1x Eu3+ Cryptate buffer containing 10 mM EDTA and 125 nM Streptavidin XL665 are added to stop the reaction and phosphorylated peptide substrate is detected using Envision 2103 Multilabeled reader from PerkinElmer. The fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well.
6965	1	Fluorescence Based Assay	The assay buffer "AB" contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM NaCl. The following components are added in a white polystyrene Costar plate (Ref 3912) up to a final volume of 55.5 uL: 1.5 uL DMSO or inhibitor dissolved in DMSO and 54 uL of a FabI/NADPH/NADP+ mixture in AB. After 60 min of pre-incubation at room temperature, the reaction is started by addition of 5 uL of trans-2-octenoyl N-acetylcysteamine thioester (t-o-NAC) to a final volume of 60.5 uL. This reaction mixture is then composed of 2 nM FabI, 40 uM NADPH (Sigma, N7505), 10 uM NADP+(Sigma, N5755), 100 uM t-O-NAC and compound at defined concentration. Fluorescence intensity of NADPH (lamda=ex=360 nm, lamda=em=520 nm) is measured immediately after t-O-NAC addition (T0), and approximately 50 min later (T50) by a Fluostar Optima (BMG) so as to achieve ~30% of NADPH conversion.
6966	1	Enzyme Inhibition Assay	DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37 C. The 30 ul assay solution contained 20 pM recombinant human DPP4 and 50 uM Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37 C. prior to start of the experiment. Test compounds were serially diluted (3-fold) in 100% DMSO to avoid solubility issues; working solutions in 3% DMSO were prepared using assay buffer. 10 ul each of enzyme and compound solutions were mixed and pre-incubated at 37 C. for 30 minutes.
6967	1	FLIPR Assay	Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM__002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.Non-Recombinant Cell Lines Expressing Native Nav1.
6968	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Count.
6970	1	In Vitro Inhibition Assay	The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat&#39;l Acad. Sci. USA 97:6183-643, incorporated herein by reference. Briefly, recombinant peptide substrate was incubated with &#947;-secretase (40 &#956;g/ml) in the presence or absence of test compound. The reaction mixture contained 0.25% CHAPSO, 0.1 &#956;g/&#956;l BSA, protease inhibitor, 50 mM PIPES, pH 7.0, 5 mM MgCl2, 5 mM CaCl2 and 150 mM KCl. The reaction was incubated for 2.5 hr at 37° C. and stopped by adding RIPA buffer (150 mM NaCl, 1.0% NP-40, 0.5% sodium deoxycholate, 0.1% SDS, 50 mM Tris HCl, pH 8.0). The products were detected with various antibody combinations using electrochemiluminescence (ECL) technology as previously described in Li et al., 2000, Proc. Nat&#39;l Acad. Sci. USA 97:6183-643; Lai et al., 2003, J. Biol. Chem. 278: 22475-22481; and Yin et al., 2007, J. Biol. Chem. 282:23639-23644. 
6971	1	Inhibition Assay	A similar assay procedure as described in Test 2 was used for HDAC1. Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The substrate used in the HDAC1 assay was 5 uM of acetyl-Gly-Ala-Lys(acetyl)-AMC. TEST 2: Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 uM to 10 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 ul. Control wells with HDAC4 only (positive control).
6971	4	Inhibition Assay	Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.003 uM to 100 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 and 0.05% (w/v) bovine serum albumine for 2 hours at room temperature in presence of 10 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 200 ul. Control wells with HDAC4 only (positive control) and without HDAC4 (negative control) were included on the microplate. Bovine trypsin (10 ul of a 0.4 mg/ml solution) was added and the plate incubated for additional 15 minutes at room temperature. The plate was placed in a fluorescence microplate reader, and read at an excitation wavelength of 360 nm and an emission wavelength of 450 nm.
6971	2	Inhibition Assay	Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 uM to 10 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 ul. Control wells with HDAC4 only (positive control) and without HDAC4 (negative control) were included on the microplate. Bovine trypsin (4.5 ul of a 300 nM solution) was added and the plate incubated for additional 15 minutes at room temperature. The plate was placed in a fluorescence microplate reader, and read at an excitation wavelength of 360 nm.
6971	3	Inhibition Assay	A similar assay procedure as described in Test 2 was used for HDAC6. Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The substrate used in the HDAC1 assay was 5 uM of acetyl-Gly-Ala-Lys(acetyl)-AMC. TEST 2: Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 uM to 10 uM. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 uM of acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 ul. Control wells with HDAC4 only (positive control).
6972	1	Electrophysiology Assay	Block of Kir1.1 (ROMKI) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37 ° C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 ml of Versene (Invitrogen 15040-066) for approximately 6 min at 37 ° C. and suspended in 10 ml of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 ml of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4.
6973	1	Inhibition Assay	A typical PDE2A assay was performed as follows: the assay was performed in 60 &#956;L samples containing a fixed amount of the PDE2A enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (Amersham). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter.
6974	1	Radioligand Competition Binding Assay	For the binding competition assay, 100 &#956;L of Assay Buffer was added to all the wells of a 96 well GF/B filter plate (Millipore MultiScreen-HTS-FB cat# MSFBN6B50) for 10 minutes to pre-wet the filter prior to evacuation of the buffer (8 inches Hg for 8 seconds). To the pre-wet wells is added: 20 &#956;L of Assay Buffer, 10 &#956;L diluted test agent, 20 &#956;L of a tritiated Smo antagonist (15 nM stock solution), and 50 &#956;L of membrane preparation (40 &#956;g total protein per well). The plates are sealed and mixed at room temperature for 5 min, incubated at room temperature for 2 hours, then washed 5 times with 100 &#956;L/each of wash buffer and vacuum dried for 8 seconds at 8 inches Hg. The plate is then dried for one hour in a 60° C. oven prior to the addition of 45 &#956;L of Microscint 20 (Packard, #6013621) to each well and incubation at RT for 30 minutes to 1 hour. The plate is counted in a TopCount scintillation counter (Perkin Elmer).
6975	1	In Vitro Inhibition Assay	This work was performed at the MDS Pharma Services, Pharmacology Laboratories, Taiwan. The assay was an in vitro evaluation of the ability of an extract or a pure compound to inhibit the steroid 5alpha -reductase enzyme from metabolizing testosterone into dihydrotestosterone. This is an enzyme-immunoassay (EIA) for quantitative determination of testosterone in human serum or plasma. The significance of this type of inhibition is that it can lead to eradication of benign prostatic hyperplasia (BPH). Two distinct isozymes are found in mice, rats, monkeys and humans: type 1 and II. Each of these isozymes is differentially expressed in tissues and developmental stages. In human, type 1 steroid 5alpha -reductase is predominant in the sebaceous glands of most regions of skin, including scalp and liver and is responsible for approximately one third of circulating DHT. Inhibitors of steroid 5alpha -reductase may be of benefit in the treatment of androgenetic alopecia.
6976	1	Radiolabeled Nucleotide Incorporation Assay	To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present invention, a radiolabeled nucleotide incorporation assay was used. This assay is a modified version of the assay described in International Publication No. WO2002/057287. Briefly, 50 uL reactions containing 20 mM HEPES (pH 7.3); 7.5 mM DTT; 20 units/ml RNasIN; 1 uM each of ATP, GTP, UTP and CTP; 20 uCi/mL [33P]-CTP; 10 mM MgCl; 60 mM NaCl; 100 ug/ml BSA; 0.021 uM DCoH heteropolymer RNA template; and 5 nM NS5B (1b-BKDelta55) enzyme are incubated at room temperature for 1 hour. The assay is then terminated by the addition of 500 mM EDTA (50 uL). The reaction mixture is transferred to a Millipore DE81 filter plate and the incorporation of labeled CTP is determined using Packard TopCount. Compound IC50 values can then be calculated from experiments with 10 serial 3-fold dilutions of the inhibitor in duplicate.
6977	1	Radioligand Binding Assay	Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 .mu.mol/mg protein, receptor concentration; PerkinElmer) were used for the radioligand binding studies. The composition of incubation buffer for CB1 assay was 50 mM Tris base, 2.5 mM EDTA, 5 mM MgCl.sub.2 and 0.5 mg/ml fatty acid free BSA and for CB2 assay was 50 mM Tris base, 2.5 mM EGTA, 5 mM MgCl.sub.2 and 1 mg/ml fatty acid free BSA; pH was adjusted to 7.4 by adding 1N HCl. Plasma membranes were diluted with incubation buffer to provide a final protein concentration of 2.4 .mu.g (CB1) or 8 .mu.g (CB2) per well in non-binding surface polystyrene 96-well assay plates (Corning). Compound solutions were prepared in silanized glass tubes and dispensed using pipette tips with SUPERSLIK.TM. surface. Competition studies were performed using a final concentration of 0.72 nM [.sup.3H]-CP 55,940 (100-180 Ci/mmol, specific activity; PerkinElmer) against test compounds.
6978	1	ADP Glo Assay	The ATPase assay is performed according the following protocol: Purified enzyme (20 nM p97), substrate (20 uM ATP) and a dose titration of compounds are mixed in buffer (50 mM TRIS pH 7.5, 20 mM MgCl2, 0.02% TX-100, 1 mM DTT, 0.2% (v/v) glycerol) and incubated at 37 C. for 15 minutes. The reaction is terminated and the level of product generated is measured using the ADP Glo Assay Kit (Promega, Madison Wis.).
6979	1	LanthaScreen Assay	The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.  In a TR-FRET kinase assay, a long-lifetime lanthanide donor species is conjugated to an antibody that specifically binds to a phosphorylated product of a kinase reaction that is labeled with a suitable acceptor fluorophore. This antibody-mediated interaction brings the lanthanide donor and the acceptor into proximity such that resonance energy transfer can take place, resulting in a detectable increase in the FRET signal.The kinase reactions were performed in 384 well microtiter plates in a total reaction volume of 10.05 &#956;L. The assay plates were prepared with 0.05 &#956;L per well of test compound in the appropriate test concentration, as described under preparation of compound dilutions.
6979	2	Scintillation Proximity Assay (SPA)	The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners. In a TR-FRET kinase assay, a long-lifetime lanthanide donor species is conjugated to an antibody that specifically binds to a phosphorylated product of a kinase reaction that is labeled with a suitable acceptor fluorophore. This antibody-mediated interaction brings the lanthanide donor and the acceptor into proximity such that resonance energy transfer can take place, resulting in a detectable increase in the FRET signal.The kinase reactions were performed in 384 well microtiter plates in a total reaction volume of 10.05 &#956;L. The assay plates were prepared with 0.05 &#956;L per well of test compound in the appropriate test concentration, as described under preparation of compound dilutions.
6981	1	HDAC Fluorescent Assays	Activity against HDACs 1 to 11 was assessed by using an acetylated 7-amino-4-methylcoumarin (AMC)-labeled peptide substrate. A substrate based on residues 379&#150;382 of p53 (Arg-His-Lys-Lys(Ac)) was used for assaying the activity of HDAC1, HDAC2, HDAC3, HDAC6, HDAC10 and HDAC11. For HDAC8, the diacetylated peptide substrate, based on residues 379&#150;382 of p53 (Arg-His-Lys(Ac)- Lys(Ac)), was used. HDAC4, HDAC5, HDAC7 and HDAC9 assays used the class IIa HDAC&#150;specific fluorogenic substrate (Boc-Lys(trifluoroacetyl)-AMC). The HDACs 1&#150; 11 were purchased from BPS Bioscience Inc. (San Diego, California). All reactions were conducted with a HDAC substrate at 50 &#956;M in assay buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA) containing 1% DMSO final concentration. In this assay, a HDAC substrate was deacetylated by the HDAC. Trichostatin A (TSA) was then added to stop the HDAC activity, and the reaction was developed by the addition of trypsin 
6981	2	HDAC Activity Assays	Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395 498)) were obtained from BPS Bioscience. The enzyme activities were initially tested in a serial dilution of each HDAC using the HDAC-Glo I/II reagents (Promega) according to the manufacturer s protocol. Luminescence was detected using the BMG POLARstar Omega microplate reader. A concentration of each HDAC within the linear response region was used for assaying inhibition of HDAC activity by UF010 and analogs. Each compound was tested in 10-point dose-response assay in triplicate.
6982	1	Inhibition Assays	Reactions were conducted similarly to the kinetic assays but the reaction consisted of 10 µL assay buffer, 5 µL inhibitor solution, 5 µL of 10 nM enzyme, and 30 µL of substrate. The reaction was incubated at 37 °C for 6 hours to allow the reaction to reach equilibrium and then quenched with 100 µL of 0.2 M sodium carbonate.
6983	1	Kinetic Studies	Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chloro-4-nitrophenyl &#945;-d-maltotrioside (CNP-G3) was used as the substrate in a similar range of concentrations. Initial reaction rates for the release of chloronitrophenolate were measured and the further progress of substrate cleavage monitored continuously. Reactions were performed on a Varian Cary 4000 UV/Vis spectrophotometer at 400 nm and 30 °C.
6984	1	HPLC-based Assay	Reactions were performed in duplicate at 22 C in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules were added from DMSO stocks to a final concentration of 1% DMSO. Concentration of UDP-Galf was held constant at the Km of the UGM homolog being analyzed, except for generation of Lineweaver-Burk plots. Reaction time and substrate concentration were varied for Lineweaver-Burk analysis, and each condition was tested in triplicate. Quenched reactions were analyzed using a CarboPac PA-100 column (Thermo Scientific) on an Agilent 1260 Infinity HPLC using an isocratic elution of 200 mM ammonium acetate (pH 8) to separate substrate and product peaks.
6984	2	Fluorescence Polarization Assay	Polarization for the fluorescein-UDP conjugated probe in the presence of inhibitors was measured on a Tecan M1000 microplate reader, exciting with 470 nm light and monitoring emission at 525 nm. Each condition was tested in triplicate in the presence of 220 nM K. pneumoniae UGM and 23.3 nM of the probe. 
6985	1	Isothermal Titration Calorimetry (ITC)	ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 °C by an ITC200 system (MicroCal, GE Healthcare). Wildtype protein and mutants were dialyzed against the titration buffer (50 mM HEPES-KOH, 30 mM KCl and 30 mM MgCl2, pH 8.0). Compound AN2690 and AMP were also prepared in the same buffer. A 60 &#956;M protein solution was in the presence of 10 mM AMP in the calorimetric cell and titrated using 26 stepwise injections of 1.5 &#956;L each with the compound AN2690 plus AMP. AN2690 solutions were placed in the syringe at 0.7 to 3 mM (depending on the expected affinity) along with 10 mM AMP. The heat generated after each ligand injection was measured base on the integral of the calorimetric signal. The resultant binding isotherms were analyzed by a nonlinear least-squares fit of the experimental data to a single site model using Microcal Origin 7.0 software. Experiments were duplicated and variability estimated to be 5% in the binding 
7276	1	Biochemical Assay	The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 uL of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 uM, 20 nM of purified enzyme, and 250 uM of p-NAD+ in the 1x Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 uL of 5x quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 uL of the 5x quenching solution per well was added prior to the addition of p-NAD+. The % Inhibition was calculated as: (Control-Sample)/(Control-Background)*100. "Control" is the average value of 8 wells without compound; and "Background" is the average of 8 wells mixed with 5x quenching solution measured prior to initiation of the reaction.
7277	1	Inhibition Assay	11 data point.  Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 &#956;M Na3VO4, and 0.075 mg/ml Triton X-100 using 12 ng baculovirus-expressed Cdc7/Dbf4 and 2 &#956;M Jerini peptide substrate A-A11 (biotin-C6linker-TPSDSLIYDDGLS) (SEQ ID NO:5). Reactions were initiated with &#955;-[33P]-ATP (1 &#956;M, 20 mCi/&#956;mol) and quenched after 1 hour with 5 volumes of stop buffer (50 mM EDTA, 2 M NaCl). The reactions were incubated for 30 minutes on streptavidin-coated plates, washed, and quantified using a TopCount scintillation plate reader (Packard). IC50 values are determined via non-linear regression fitting of the data. Ki values are generated assuming ATP-competitive (equilibrium) inhibition and using the experimentally determined apparent ATP Km of Cdc7 (0.7 &#956;M).
7282	1	Inhibition Assay	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Activity was measured using a final concentration of 3 &#956;M of the fluorescence-quenched substrate Q-C(HSO3)-Ile-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca, where Q=2-nitro-5-amino benzoic acid and Mca=7-methoxy-4-coumarinyl acetic acid. Catalytic turnover was monitored in a Spectramax Gemini fluorescence plate reader (Molecular Devices) in black 96-well microplates using excitation/emission wavelength of 325 nm and 400 nm, respectively. Fluorescence increase was followed for 15 min, in 1 minute&#39;s intervals. The fluorescence/time slopes were calculated from duplicate wells and from wells without inhibitor and the IC50 values were calculated using a logistic 4-parameter model.
7282	2	Inhibition Assay	Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Activity was measured using a final concentration of 3 &#956;M of the fluorescence-quenched substrate Q-C(HSO3)-Ile-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca, where Q=2-nitro-5-amino benzoic acid and Mca=7-methoxy-4-coumarinyl acetic acid. Catalytic turnover was monitored in a Spectramax Gemini fluorescence plate reader (Molecular Devices) in black 96-well microplates using excitation/emission wavelength of 325 nm and 400 nm, respectively. Fluorescence increase was followed for 15 min, in 1 minute&#39;s intervals. The fluorescence/time slopes were calculated from duplicate wells and from wells without inhibitor and the IC50 values were calculated using a logistic 4-parameter model.
7282	3	Inhibition Assay	Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well into 96-well microtiter plates and cultivated for 24 hours in DMEM cell culture medium containing 10% FCS. The test compound is added to the cells at various concentrations, and the cells are cultivated for 24 hours in the presence of the test compound. The supernatants are collected, and the concentration of amyloid peptide 1-40 is determined using state of the art immunoassay techniques, for example sandwich ELISA, homogenous time-resolved fluorescence (HTRF) immunoassay, or electro-chemiluminescence immunoassay. The potency of the compound is calculated from the percentage of inhibition of amyloid peptide release as a function of the test compound concentration.
7287	1	HTRF Assay	Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat#62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sourced from Invitrogen (see table below). This activity-assay measures the phosphorylation of tyrosine residues within a substrate from the HTRF kit which has been validated by Cisbio for a variety of tyrosine kinases including the TRK receptors.Assay Details: Invitrogen Amino FAC FAC Assay ReactionTarget Cat# acids enzyme ATP TimeTRKA PV3144 aa 441-4 nM 40 uM 35 min (NTRK1) 796 TRKB PV3616 aa 526-1 nM 1.4 uM 40 min (NTRK2) 838 TRKC PV3617 aa 510- 10 nM 15 uM 30 min (NTRK3) 8250.5 mM stock solutions of test compounds are prepared and serially diluted in 100% DMSO. A standard curve using the compound of Example 135 disclosed in WO2005/116035 of 150 uM is also prepared on each test plate. High percentage effect (HPE) is defined by 150 uM.
7295	1	Biochemical Inhibition Assay	The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100x stock. Buffer A (89 uL) containing 33 nM of NAMPT protein was added to 1 uL of 100x compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mix was incubated for 15 minutes at room temperature, then 10 uL of 10x substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 uM NAM, 100 uM 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5'-triphosphate (ATP). The reaction was allowed to proceed for 30 minutes at room temperature, then was quenched with the addition of 11 uL of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 uM L-Cystathionine.
7300	1	Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
6987	1	Gel-based Cleavage Assay	Gel-based assays were performed by combining 4 µL of OGG1 (62.5 nM) with 1 µL of inhibitor or buffer. Substrate (5 µL, 50 nM) was added to bring the final volume to 10 µL. The reaction was incubated 30 min at 37 °C, quenched by the addition of 10 µL of formamide, and put on ice. Samples were analyzed by electrophoresis on a 15% polyacrylamide gel containing 8 M urea, and bands were visualized by a FluorChem M imager (Protein Simple). Band intensities were quantified using the Image Studio Lite Software (LI-COR).
6987	2	Fluorescence-based Assay	The fluorescence-based assay outlined in Figure 2 a was performed in black, low volume 384-well plates with a fi nal volume of 10 L per well. Nine uL of assay buffer (20 mM Tris-HCl, 100 mM KCl, 0.1% BSA, 0.01% Tween-20, pH 7.5) was added toeach well, followed by the addition of 1 uL of DMSO (control) or 50 M compound in DMSO. Drug addition and subsequent mixing was performed by an automated robotic system (Sciclone ALH3000 Workstation with the low-volume 384 mandrel array and disposable tips, PerkinElmer). A total of 20 nL of 25 uM OGG1 in assay buffer + 0.15% Tween was dispensed into each well via a HP D300 digital dispenser (Tecan). Plates were incubated at RT for 5 10 min and then 20 nL of 12.5 uM 8-oxo-Gua-containing substrate (diluted in assay buffer + 0.15% Tween) was dispensed into each well using the same method. The final concentration of each component in the reaction was 5 uM drug, 50 nM enzyme, and 25 nM substrate. Plates were incubated for 30 min at 37 &deg;C, and TAMRA fluorescence in each well was measured using the Biotek Synergy 4 platereader (Filters = Ex 528/20, Em 600/40. Mirror = Top 570 nm with polarizer). Backgroundsubtracted fluorescence values were calculated for each well, and any compound that had 40% decrease in fluorescence compared with the no inhibitor control was identified as a hit. Control wells containing just substrate or just substrate + enzyme were used to calculate Z values for each plate.
6988	1	In vitro Anti-HIV RT Assay	The HIV-1 RTwt inhibition assay was implemented using the template/primer hybrid poly(A)9oligo(dT)15, digoxigenin- and biotin-labeled nucleotides, an antibody to digoxigenin which is conjugated to peroxidase (anti-DIG-POD), and the peroxidase substrate ABTS for quantifying the RT polymerase activity. The incorporation quantities of the digoxigenin- and biotin-labeled dUTP into DNA represented the activity of HIV-1 RT. The IC50 value corresponds to the concentration of the tested compound required to inhibit the incorporation of the labeled dUTP by 50%. The procedure for RT assay was performed as described in the kit (Roche) protocol
6989	1	Z'-Lyte assaytion Assay	The enzymatic activities SRC are tested in Z'-Lyte assays with ATP concentrations of Km (50 uM)
7392	1	AChE and BChE Inhibition Assay	In vitro AChEI activity was performed based on the modified Ellman's methodas previously reported by our group using a 96-well plate reader (BioTek ELx808). For this purpose, compounds 8 were dissolve in a mixture of DMSO (5 mL) and methanol (5 mL) and diluted in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0). Each well contained 50 uL potassium phosphate buffer (KH2PO4/K2HPO4, 0.1 M, pH 8), 25 uL prepared sample as described above, 25 uL enzyme with final concentration of 0.22 U/mL in buffer. They were preincubated for 15 min at rt, and then 125 uL DTNB (3 mM in buffer) was added. Characterization of the hydrolysis of ATCI catalyzed byAChE was performed spectrometrically at 405 nm followed by the addition of substrate (ATCI 3 mM in water). The change in absorbance was measured at 405 nm after 15 min. The IC50 values were determined graphically from inhibition curves (log inhibitor concentration vs. percent of inhibition).
7316	1	Fluorescent High Throughput P450 Assay	The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5). Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37° C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths. Concentration-response curves performed in duplicate for known inhibitors for each isoenzyme were tested in ever
6991	1	DCIP-linked Assay	Recombinant human DHODH (final enzyme concentration between 20 and 60 nM in the assay well) were incubated at 37 °C in 50 mM Tris-HCl, 0.1% Triton X-100, 1 mM KCN, pH 8.0 with coenzyme Q10 (100 µM), and the tested compounds at different concentrations (final DMSO concentration 0.1% v/v). The reaction was initiatedby the addition of DHO (500 µM), and the reduction of DCIP (50 µM) was monitored through a decrease in absorbance at 650 nm.
6992	1	Radioligand Binding Assay	All assays were incubated in a total volume of 200 mL in 96-well microtiter plates for 1 h at 37 °C, except for 5-HT1ARs which were incubated at room temperature for 1 h. The process of equilibration was terminated by rapidfiltration through Unifilter plates with a 96-well cell harvester and radioactivity retained on the filters was quantified on a Microbeta plate reader. For displacement studies, the assay samples contained as radioligands: 1.5 nM [3H]-8-OH-DPAT (187 Ci/mmol) for 5-HT1ARs; and [3H]-5-CT (39.2 Ci/mmol) for 5-HT7Rs.
6993	1	Inhibition Assay	PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716). Amplification with Easy-A polymerase (Stratagene, La Jolla, Calif.) was 95 ° C. for 2 minutes followed by thirty three cycles of 95 ° C. for 40 seconds, 55 ° C. for 30 seconds, and 72 ° C. for 2 minutes 48 seconds. Final extension was 72 ° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.2-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. AD293 cells with 70-80% confluency were transiently transfected with human PDE10A2/pcDNA3.2-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection.
6994	1	Inhibition Assay	The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEFES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactons are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and iC50 values can be calculated using the Xlfit extension to EXCEL.In the context of the present invention the assay was performed in 60 uL assay buffer.
6995	1	Inhibition Assay	The inhibitory activity measurement against the kinases mentioned above was measured in the kinase inhibition reaction mixture containing 2 ul purified kinase protein (10-50 ng), 20 mM Tris-HCl, pH 8.0, 5 mM MgCl2, 0.5 mM dithiothreitol, 0.01 mM ATP, 4 ug of poly(D4Y)n peptide substrate (Promega), 0.2 uCi of 32P-ATP and the each compound shown in tablel. The mixture was incubated for 15 min at 30° C. and the reaction was then ended by adding a half volume of 30% phosphoric acid solution. Subsequently, the reaction mixture solution was spotted in avidin coated membrane (Promega). This membrane was washed using 50 mM phosphate, 0.1N NaCl buffer (pH 6.0) solution for 10 min 5 times and then the radioactivity of each spot was quantified by using a BAS image analyzer (Fuji).
6996	1	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37 C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066) for approximately 6 min at 37 C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4.
6996	2	Thallium Flux Assay	The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-Lysine microplates and kept in a 37 C.-10% CO2 incubator overnight. On the day of the experiment, the growth media is replaced with the FluxOR reagent loading buffer and incubated, protected from light, at ambient temperature (23-25 C.) for 90 min. The loading buffer is replaced with assay buffer+/-test compound followed by 30 min incubation at ambient temperature, where the Thallium/Potassium stimulant is added to the microplate.Step Protocol    1. Seed HEK-hKir1.1 cells (50 ul at 20,000 cells/well) in 384-well PDL coated Microplates    2. Allow cells to adhere overnight in humidified 37 C./10% CO2 incubator    3. Completely remove cell growth media from microplate and replace with 25 ul loading buffer    4. Incubate Microplate at room temperature, protected form light, for 90 min    5.
6997	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -800 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL.
6997	2	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 40 C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol).
6998	1	In Vitro Assay	A PCR product covering residues 1058-1365 of c-Met (c-Met kinase domain) is generated from Human Liver QuickClone cDNA (Invitrogen) using forward primer 5'-ATTGACGGATCCATGCTAAATCCAGAGCTGGTCCAGGCA-3' (SEQ ID NO. 1) and reverse primer 5'-ACAACAGAATTCAATACGGAGCGACACATTTTACGTT-3' (SEQ ID NO. 2). The PCR product is cloned into a modified pFastBac 1 expression vector (harboring the gene for S. japonicum glutathione S-transferase immediately upstream of the multiple cloning site) using standard molecular biological techniques. The GST-c-Met kinase domain fusion (GST-Met) gene is transposed into full-length baculovirus DNA using the BacToBac system (Invitrogen). High5 cells are infected with the recombinant baculovirus for 72 h at 27 C. The infected cells are harvested by centrifugation and the pellet is stored at -80 C. The pellet is resuspended in buffer A (50 mM HEPES, pH 8.0, 0.25 M NaCl, 10 mM 2-mercaptoethanol, 10% (w/v) glycerol, 0.5% (v/v) protease.
6999	1	Glycine Uptake Assay	[3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersham Biosciences) and cultured to sub-confluency for 24 h. For glycine uptake assays the culture medium was aspirated and the cells were washed once with 100 ul HBSS (Gibco BRL, #14025-050) with 5 mM L-Alanine (Merck #1007). 80 ul HBSS buffer were added, followed by 10 ul inhibitor or vehicle (10% DMSO) and 10 ul [3H]-glycine (TRK71, Amersham Biosciences) to a final concentration of 200 nM for initiation of glycine uptake. The plates were placed in a Wallac Microbeta (PerkinElmer) and continuously counted by solid phase scintillation spectrometry during up to 3 hours. Nonspecific uptake was determined in the presence of 10 uM Org24598. IC50 calculations were made by four-parametric logistic nonlinear regression analysis (GraphPad Prism).
7000	1	 In Vitro Kinase Inhibition Assay	In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services providers in order to offer in vitro kinase activity assay services, e.g. the assays offered by Millipore Inc. (worldwide website www(dot)millipore.com), ProQinase GmbH (worldwide website www(dot)proqinase.de) and others.  All kinase assays were performed in 96-well FlashPlates from Perkin Elmer/NEN (Boston, Mass., USA) in a 50ul reaction volume. The reaction mixture was pipetted in four steps in the following order: 20ul of assay buffer (standard buffer),5ul of ATP solution (in H2O, 5 ul of test compound (in 10% DMSO), 10ul of substrate/10ul of enzyme solution (premixed)The assay for all enzymes contained 60 mM HEPES-NaOH (pH 7.5), 3 mM MgCl2, 3 mM MnCl2, 3uM Na-Orthovanadate, 1.2 mM DTT, 50 ug/ml PEG2000, 1 uM [33P]-ATP (approx. 5x1005 cpm per well).
7001	1	Inhibition Assay	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 uM beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 200 pM TrkA, 1.5 uM peptide substrate and 55 uM ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij.
7001	2	Inhibition Assay	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkB (0.6 nM, Carna 08-187) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 300 pM TrkB, 1.5 &#956;M peptide substrate and 70 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.
7001	3	Inhibition Assay	Human TrkC, catalytic domain [456-825(end) amino acids of accession number NP-002521.2] was expressed as N-terminal GST-fusion protein (69 kDa) using baculovirus expression system. GST-TRKC was purified by using glutathione sepharose chromatography and stored in 50 mM Tris-HCl, 150 mM NaCl, 0.05% Brij35, 1 mM DTT, 10% glycerol, pH7.5 at -80 C. The kinase activity was measured by off-chip mobility shift assay. The enzyme was incubated with fluorecence-labeled substrate, Srctide, in the presence of 100 uM of ATP (Mg/or Mn)/ATP). The phosphorylated and unphosphorylated substrates were separated and detected by LabChip 3000.
7001	4	Inhibition Assay	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, c-FMS (0.14 nM, Carna 08-155) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 uM beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 70 pM c-FMS, 1.5 uM peptide substrate and 500 uM ATP (ATP Km). The reaction was incubated at room temperature for 120 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3.
7002	1	Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 ug/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds.
6990	1	Fluorescence Polarization Assay	For competition-based fluorescence polarization assays, the ability of the test compounds to displace fluorophore-labeled peptides from their respective binding proteins was analyzed as previously described.3 Peptide sequences were: STAT1: 5-carboxyfluorescein-GY(PO3H2)DKPHVL; STAT3: 5-carboxyfluorescein-GY(PO3H2)LPQTV-NH2; STAT4: 5-carboxyfluorescein-GY(PO3H2)LPQNID-OH; STAT5a and STAT5b: 5-carboxyfluorescein-GY(PO3H2)LVLDKW; STAT6: 5-carboxyfluorescein-GY(PO3H2)VPWQDLI-OH; Lck SH2: 5-carboxyfluorescein-GY(PO3H2)EEIP. Due to protein instability, STAT2 was not analyzed. Final concentration of 5-carboxyfluorescein-labeled peptides: 10 nM. Proteins were used at the following final concentrations, which correspond to the Kd-values of the interactions with the respective fluorophore-labeled peptide: STAT1: 420 nM; STAT3: 270 nM; STAT4: 130 nM; STAT5a: 130 nM; STAT5b: 100 nM; STAT6: 310 nM; Lck SH2: 30 nM. Pipetting was carried out partly using a Biomek FX workstation (Beckman-Coulter). Pr
6986	1	Activity-based Protein Profiling (ABPP)	We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.
7003	1	In Vitro Cell-Free Assay	Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (ADB; 20 mM MOPS, pH 7.2, 25 mM beta-glycerolphosphate, 5 mM EGTA, 1 mM sodium orthovanadate and 1 mM dithiothreitol), 10 microliters of substrate peptide (RRRDDDSDDD, dissolved in ADB at a concentration of 1 mM), 10 microliters of recombinant human CK2 (25 ng dissolved in ADB; Upstate). Reactions were initiated by the addition of 10 microliters of ATP Solution (90% 75 mM MgCl2, 75 micromolar ATP dissolved in ADB; 10% [gamma-33P]ATP (stock 1 mCi/100 ul; 3000 Ci/mmol (Perkin Elmer) and maintained for 10 minutes at 30 degrees C. The reactions were quenched with 100 microliters of 0.75% phosphoric acid, then transferred to and filtered through a phosphocellulose filter plate (Millipore). After washing each well 5 times with 0.75% phosphoric acid, the plate was dried under vacuum for 5 min.
7003	2	Chemiluminescent PARP Assay	PARP assays are conducted using a chemiluminescent PARP assay kit (Trevigen). Briefly, reactions are performed in Histone-coated strip wells, by adding 10 microliters test compound dissolved in 1x PARP Buffer (prepared by mixing 20x PARP buffer diluted with high-purity water) and 15 microliters diluted PARP-HSA enzyme (diluted in 1x PARP buffer, 0.1 unit per well) to 25 microliters PARP cocktail (prepared from 10x PARP cocktail and 10x activated DNA, both 2.5 microliters per well and 20 microliters per well of 1x PARP buffer). The reactions are incubated at ambient temperature for 60 minutes, then the liquid was removed. After washing the wells four times with PBS (200 ul), 50 microliters of STREP-HRP (Horseradish Peroxidase) solution (diluted 500-fold in 1x Strep-Diluent) was added and the reactions were allowed to incubate for 30 minutes at ambient temperature.
7005	1	ELISA Assay	An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM27 in the culture medium.
7006	1	Binding Assay	The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulphonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4 C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000xg, 4 C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000xg, 4 C., 10 min). The two supernatants are combined and centrifuged (15 000xg, 4 C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is suspended in binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and the suspension is centrifuged (15 000xg, 4 C., 30 min), twice.The residue is resuspended in binding buffer and incubated in a volume of 250 ul.
7009	1	Inhibition Assay	The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 200 uM to 1.6 uM are prepared (resulting final concentrations in the assay: 4 uM to 0.032 uM). 2 uL portions of the diluted substance solutions are introduced into the wells of microtiter plates (Isoplate; Wallac Inc., Atlanta, Ga.). Then 50 uL of a dilution of the PDE9A preparation described above are added. The dilution of the PDE9A preparation is chosen so that less than 70% of the substrate is converted during the subsequent incubation (typical dilution: 1:10000; dilution buffer: 50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H] guanosine 3',5'-cyclic phosphate (1 uCi/uL; Amersham Pharmacia Biotech., Piscataway, N.J.) is diluted 1:2000 with assay buffer (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA) to a concentration of 0.0005 uCi/uL.
7010	1	Radioligand Binding Assay	For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-methyl-3H]-LSD (Perkin Elmer), 2.5 ng of human 5-HT6 receptor membranes (Millipore) and 50 ug SPA beads (PVT-PEI-WGA, GE Healthcare) per well in a final volume of 0.2 mL. For binding analysis vs. the rat receptor, samples were incubated in the same buffer with 3.5 nM [N-methyl-3H]-LSD, 50 ug of rat 5-HT6 receptor membranes (Perkin Elmer) and 0.4 mg SPA beads (PVT-PEI-WGA Type B, GE Healthcare) per well also in a final volume of 0.2 mL. Binding reactions were performed in PicoPlate96 microtiter plates (Perkin Elmer) by consecutively adding 50 uL of each competing compound or buffer, SPA beads, radioligand and 5-HT6 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm, followed by incubation in the dark for 10 min.
7011	1	Inhibition Assay	To assay the activity of Pseudomonas aeruginosa LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine and the amount of the reaction product was determined by quantifying the amino groups present in it.Specifically, 12.5 ng of Pseudomonas aeruginosa LpxC enzyme (as acquired by preparing chromosomal DNA from Pseudomonas aeruginosa, subjecting the DNA to PCR (polymerase chain reaction) using LpxC specific primers to acquire Pseudomonas aeruginosa LpxC genes, incorporating the genes into a vector, and expressing the same with E. coli) was mixed with 80 .mu.mol/L of UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine (Wako Pure Chemical Industries, Ltd.) and the mixture was incubated at room temperature for 40 minutes. The reaction was performed in 40 mmol/L of Hepes buffer solution (pH 8.0) supplemented with 0.02% Bridge 35 and 80 .mu.mol/L of dithiothreitol. To terminate the reaction, 0.2 mol/L of borax was added to the reaction mixture.
7011	2	Inhibition Assay	To assay the activity of E. coli LpxC enzyme, LpxC was reacted with its substrate UDP-3-O-(R-3-hydroxytetradecanoyl)-N-acetylglucosamine and the amount of the reaction product was determined by quantifying the amino groups present in it.Specifically, 12.5 ng of E. coli LpxC enzyme (as acquired by preparing chromosomal DNA from E. coli, subjecting the DNA to PCR (polymerase chain reaction) using LpxC specific primers to acquire E. coli LpxC genes, incorporating the genes into a vector, and expressing the same with E. coli) was mixed with 20 .mu.mol/L of UDP-3-O-(R-3-hydroxytetradecanoyl)-N-acetylglucosamine (Wako Pure Chemical Industries, Ltd.) and the mixture was incubated at room temperature for 120 minutes. The reaction was performed in 40 mmol/L of 2-morpholinoethanesulfonic acid buffer solution (pH 6.5) supplemented with 0.02% Bridge 35 and 80 .mu.mol/L of dithiothreitol. To terminate the reaction, 0.2 mol/L of borax was added to the reaction mixture.
7012	1	Release Assay	Each of Compounds (1) to (6) was dissolved in 100% DMSO so as to obtain stock to compound solutions with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3 or 10 mM) for each of Compounds (1) to (6). 7500 of the neutrophil suspension obtained in -3. Preparation of human neutrophil under the section of -Experimental materials was added with 200 uM of MeO-Suc-Ala-Ala-Pro-Val-p-nitroanilide (454454, Calbiochem Limited, dissolved in 750 ul HBSS and functioned as a substrate for human neutrophils) at a is volume ratio of 1:1 (the final volume was 1.5 ml), stirred at 37 C. for 2 minutes, followed by addition with 1.5 ul of the aforesaid compound solution and reaction at 37 C. for 2 minutes. In a control group, 100% DMSO was used to substitute the compound solution. Moreover, Sivelestat (with concentrations of 0.01, 0.03, 0.1, 0.3, 1, 3 or 10 mM in DMSO) was used to substitute the compound solution as a positive control group.
7012	2	Inhibition Assay	Each of Compounds (1) to (7) was added into 50 &#956;L buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound solutions with concentrations of 0.02, 0.2, 2, or 20 &#956;M for each of Compounds (1) to (7), followed by m adding 50 &#956;L of the compound solutions into wells of a 96-well plate. The buffer A and Sivelestat (under the same solvent condition and concentrations as those of Compounds (1) to (7)) with the same volume were respectively used as a control group and a positive control group. Each well of the 96-well plate was further added with 25 &#956;L of human neutrophil elastase (Enzo, 200 nM, in buffer B containing 20 mM Tris-HCl (pH 7.4) and 0.1% NaN3) and 25 &#956;L MeO-Suc-Ala-Ala-Pro-Val-p-nitroanilide (500 &#956;M, prepared in the buffer B), followed by reacting in an incubator (30° C.) for 30 minutes.
7013	1	Competition Radioligand Binding Assay	Competition radioligand binding assays were performed to determine the in vitro potency of the newly synthesized, unlabeled test compounds to displace the specific binding of the radiolabelled endogenous chemokine, 125I-CXCL10, from the human CXCR3-A receptor. IC50 values were determined for the test compounds and used to explore the structure-activity relationships (SAR). The established SAR was used to feed back the molecular design and to suggest some suitable modifications for groups and structural elements by which the affinity of test compounds for the human CXCR3 receptor would be improved.
7014	1	Kinase Assay	The test methods for GSK-3&#946;, PKCE, JAK2, BRAF, IKK2 and Drak2 inhibitory activities were reported in Molecules; 18:5498-5516. The PKA kinase assay was carried out with the Invitrogen Z -LYTETM Kinase Assay kit (Ser/Thr 1 Peptide substrate), with a final enzyme concentration of 4 nM. The AKT1 kinase assay was carried out with the Invitrogen Z -LYTETM Kinase Assay kit (Ser/Thr 6 Peptide substrate), with a final enzyme concentration of 4 nM. CDK2/CycA2 kinase assay was carried out with the Invitrogen Z -LYTETM Kinase Assay kit (Ser/Thr 12 Peptide substrate), with a final enzyme concentration of 2 nM. All reactions were carried out in triplicate. 
7015	1	In vitro Assay for Inhibition of DPP-4	The DPP-4 Drug Discovery Kit (Enzo Life Sciences International, Inc.) was used for the assay of inhibition of DPP-4 activity. The assay is based on the cleavage of 7-amino-4-methylcoumarin (AMC) moiety from the C-terminus of the peptide substrate (H-Gly-Pro-AMC), which increases its fluorescence intensity at 460 nm. The DPP-4 inhibitor P32/98 was selected as a control. The substrate and DPP-4 enzyme were diluted 1/50 with assay buffer (50 mM Tris, pH = 7.5). 25 µL of assay buffer, 15 µL of enzyme solution and 10 µL of appropriately diluted solutions of the test compounds were added subsequently to 96-well microtitre plates. After incubation at 37 °C for 10 min, 50 µL of diluted substrate solution was added. Fluorescence was measured using an excitation wavelength of 380 nm and an emission wavelength of 460 nm by a Synergy H1 Multi-Mode Reader (BioTek, Beijing, China).
7016	1	MAO Inhibition Assay	IC50 values for the inhibition of MAO-A and MAO-B were determined using the recombinant human enzymes as enzyme sources, and kynuramine as non-selective MAO substrate. The concentrations of the MAO-generated 4-hydroxyquinoline were measured by fluorescence spectrophotometry (&#955;ex = 310; &#955;em = 400 nm). The protocol for these experiments has been reported in detail in recent publications
7017	1	GyraseB Assay	Initially, equimolar quantities of about 0.5µM each of E. coli gyraseA and S. aureus gyraseB were incubated for a period of 45 min with salmon sperm DNA (Sigma) in 50mM Tris (pH 7.5), 75mM ammonium acetate buffer for the reconstitution of the hybrid topoisomerases at 4 OC. Later the assay was performed in a 96-well microtiter plate as mentioned earlier (7). The assay buffer includes 50 mM Tris (pH 7.5), 75 mM ammonium acetate, 5% w/v glycerol, 0.5mM &#917;DTA, 6 mM magnesiumchloride, 0.001% Triton X-100, 1 mMdithiothreitol, DNA of 2 &#956;g/mL (~3 &#956;M base pairs), 250µM ATP, 2.2nM of E. coligyrase A and S. aureusgyraseB. Reactions were performed with various drug concentration ranges for the calculation of IC50, with a negative moxifloxacin and positive novobiocin control as standards. The reaction was allowed to proceed for 60 min and was quenched by addition of 20uL of malachite green reagent (POMG-25H, Bioassay systems, USA) subsequently absorbance was read at 650nm after 20 mi
7017	2	Supercoiling Assay	Supercoiling assay was performed using the commercially available kit (DNA gyrase supercoiling assay kit: SAS4001) from Inspiralis Pvt.limited, Norwich, UK. The assay was performed in 1.5 mL eppendorf tubes at room temperature. According to the assay protocol, 1 U of S. aureus DNA gyrase was incubated with 0.5 µg of relaxed pBR 322 DNA in 30 µL reaction volume at 37oC for 30 min with 40 mM HEPES. KOH (pH 7.6), 10 mM magnesium acetate, 10 mM DTT, 2 mM ATP, 500 mM potassium glutamate, 0.05 mg/mL albumin (BSA). While the standard compound novobiocin was the positive control, 4% DMSO was considered as negative control. Subsequently, each reaction was stopped by the addition of 30 µL of Stop dye [40% sucrose, 100 mM Tris-HCl (pH 7.5), 1 mM EDTA and 0.5 mg/mL bromophenol blue] (8), briefly centrifuged for 45 sec and was run in 1% agarose gel in 1X TAE buffer (40mM Tris acetate, 2mM EDTA).
7018	1	Fluorescence Polarization (FP) Assay	The fluorescence polarization (FP) assay was performed as described in the reference (Bioorg Med Chem. 2010. 18:6031-6043).
7019	1	Inhibition Assay	All assays were performed at 100 µL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Buffer (100 mM HEPES, 100 mM NaCl, 0.1% CHAPS, 10% sucrose, pH 7.5) on a BioTek Synergy H1 plate reader. Fluorescence was measured with excitation and emission wavelengths of 380 nm and 460 nm, respectively. Caspase-1 was activated with 100 µM DTT for 30 minutes and held constant at 5 nM for all assays. WEHD-AMC was used as a substrate for all assays at 10 µM unless otherwise specified and reactions were monitored immediately upon addition to caspase-1.
7020	1	iNOS Activity Assay	The iNOS activity assay was based on the method of hemoglobin assay previously described with slight modifications. The activity of the enzyme was determined spectrophotometrically by monitoring the NO-mediated conversion of oxyhemoglobin to methemoglobin at 401 and 421 nm.
7021	1	Tyrosinase Inhibition Assay	The synthesized compounds were tested for diphenolase inhibitory activity of tyrosinase using L-DOPA (dihydroxyphenylalanine) as substrate. Mushroom tyrosinase was used for the bioassay. All the compounds were dissolved in DMSO and its final concentration in the reaction mixture was 3.0%. Thirty units ofmushroom tyrosinase (0.5 mg/mL) were first preincubated with the compounds, in 50 mM phosphate buffer (pH 6.8) for 20 min at 30 °C. The L-DOPA (final concn 0.5 mM)was added to the mixture, and the enzyme reaction was continuously monitored by measuring the change in absorbance at 475 nm of formation of the dopachrome for1 min.
7022	1	Inhibition Assay	The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of DPPI in MES buffer (final concentration 0.0125 ng/uL) and incubated for 10 min. Then, 5 uL of substrate in MES buffer (final concentration 50 uM) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 uL of Gly-Phe-DMK in MES-buffer (final concentration 1 uM). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).
7022	2	Inhibition Assay	To activate the proenzyme, 5 ul procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min.5 uL test compound (final concentration 0.1 nM to 100 uM) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of Cathepsin K in assay buffer (final concentration 2 ng/uL) and incubated for 10 min. Then 5 uL of substrate in assay buffer (final concentration 12.5 uM) were added. The plates were then incubated at room temperature for 60 min. Then, the reaction was stopped by adding 10 uL of E64 in assay buffer (final concentration 1 uM). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm).Each assay microtiter plate contains wells with vehicle controls (1% DMSO in bidest) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (E64 in bidest+1% DMSO.
7023	1	Homogeneous Time-Resolved Fluorescence (HTRF)	In vitro inhibition of 11beta -HSD1 by test compounds was determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes. Briefly, compounds were incubated for 1 hour at 37 C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (200 uM) and cortisone (80 nM). Cortisol generated in the reaction is then detected with a competitive immunoassay, involving two HTRF conjugates: cortisol linked to XL665 and anti-cortisol antibody labeled with Europium cryptate. The incubation period for detection reaction was typically 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). The ratio of the two emission signals is then calculated (Em665*10000/Em615).
7024	1	Homogeneous Time Resolved Fluorescence Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 ug/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds.
7026	1	Thallium Flux Assay	FluxOR Kit Components (Invitrogen F10017)        FluxOR Reagent (Component A)        FluxOR Assay Buffer (Component B)-10x Concentrate        PowerLoad Concentrate (Component C)-100x Concentrate        Probenecid (Component D)-Lyophilized sample is kept at -20 C. Water soluble, 100x after solubilization in 1 ml water. Store at 4 C.        FluxOR Chloride-free Buffer (Component E)-5x Concentrate        Potassium sulfate (K2SO4) Concentrate (Component F)-125 mM in water. Store at 4 C.        Thallium sulfate (Tl2SO4) Concentrate (Component G)-50 mM in water. Store at 4 C.        DMSO (dimethyl sulfoxide, Component H)-1 ml (100%)        Reagent Preparation-     FluxOR Working Solutions        1000x FluxOR Reagent: Reconstitute a vial of component A in 100 ul DMSO; Mix well; Store 10 ul aliquots at -20 C.        1x FluxOR Assay Buffer: Dilute Component B 10-fold with water; Adjust pH to 7.4 with Hepes/NaOH; Filter and store at 4 C.
7027	1	Displacement Assay	Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacement assay.The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) providing a reaction mixture containing: the PARP protein isoform under investigation,a compound of formula (IP). b) comparing the polarization signal generated in the absence of the test compound with the one generated in the presence of different concentrations of the test compound, and c) evaluating the ability of the test compound to displace the compound of formula (IP) as defined above indicated from a decreased fluorescence polarization level. Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, or the PARP protein and the test compound are pre-mixed.
7027	2	PAR Assay	Cellular activity of PARP-1 inhibitors was assessed by measuring the inhibition of the hydrogen peroxide induced PAR formation in HeLa cells (ECACC). Cellular PAR levels were measured by immunocytochemistry, and quantified using an ArrayScan vTi instrument (Cellomics Thermo Scientific). Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hours at 37 C., 5% carbon dioxide. Test compounds were then added at the required concentration for 30 minutes. DNA damage was then induced adding hydrogen peroxide at the concentration of 0.1 mM for 15 minutes. Concentration curves were prepared in MEM/10% FCS from compound stocks in DMSO, and final DMSO concentration was 0.002% (v/v). Duplicate wells for each concentration point were prepared with a typical highest compound concentration of 20 uM and serial dilution 1:3. Plates were dried and fixed adding cold methanol-acetone (70:30) solution for 15 minutes at room temperature.
7028	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay	The in vitro inhibitory activities of the novel compounds to human 11&#946;-HSD1 were evaluated in accordance with homogenous time-resolved fluorescence (HTRF). The human 11&#946;-HSD1 overexpressing cells were subcultured at the number of 2.5×104 cells in 96-well plate and stabilized for 24 hr. The cells in each well were incubated with 100 &#956;l of medium containing 160 nM cortisone (Sigma) and diluted compound for 3 hr at 37° C. in an incubator. Then, samples of the medium (10 &#956;l) were transferred to 384-well plate and the amounts of cortisol produced were measured using a cortisol kit (Cisbio international) in accordance with manufacturer&#39;s instruction. The control group was incubated with 160 nM cortisone and 0.1% DMSO.
7029	2	Radioligand Binding	The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 uM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (Treff Lab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3  Kd in nM.
7029	1	Radioligand Binding	The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3-[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3Kd in nM.
7030	2	Radioactive Assay	The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of different concentrations of the test compound (generally from 0.17 to 10 000 nM). A dose-response curve is produced, which allows an IC50 (50% inhibitory concentration) to be determined. The kinase activity is measured by a radioactive assay of the amount of radioactive phosphate (33P) incorporated into a fragment of the protein NuMA (Nuclear Mitotic Apparatus protein) after 30 minutes of incubation at 37 ° C. The test compound is first dissolved at different concentrations in dimethyl sulphoxide (DMS (J). Reaction takes place in the wells of a FlashPlate microtiter plate (Nickel Chelate FlashPlate-96, PerkinElmer). Each well (100 l) contains 10 nM Aurora A, 500 nM NuMA, 1 M ATP and 0.2 Ci ATP- -33P in a buffer of 50 mM Tris-HCl, pH=7.5; 10 mM MgCl2; 50 mM NaCl, 1 mM dithiothreitol. The final percentage of DMSO is 3%.
7030	1	Radioactive Assay	The capacity to inhibit the kinase activity of the enzyme is estimated by measuring the residual kinase activity of the enzyme in the presence of different concentrations of the test compound (generally from 0.17 to 10 000 nM). A dose-response curve is produced, which allows an IC50 (50% inhibitory concentration) to be determined. The kinase activity is measured by a radioactive assay of the amount of radioactive phosphate (33P) incorporated into a fragment of the protein NuMA (Nuclear Mitotic Apparatus protein) after 30 minutes of incubation at 37 ° C. The test compound is first dissolved at different concentrations in dimethyl sulphoxide (DMS (J). Reaction takes place in the wells of a FlashPlate microtiter plate (Nickel Chelate FlashPlate-96, PerkinElmer). Each well (100 l) contains 10 nM Aurora A, 500 nM NuMA, 1 M ATP and 0.2 Ci ATP- -33P in a buffer of 50 mM Tris-HCl, pH=7.5; 10 mM MgCl2; 50 mM NaCl, 1 mM dithiothreitol. The final percentage of DMSO is 3%.
7032	1	Binding Assay	Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH-1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 ug protein) were incubated for 60 min at 25 C. with 1.4 nM of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 uM 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. The filters were counted for radioactivity.
7033	1	AChE and BChE Inhibition Assay	A 96-microliter well plate was used for screening purpose. Each pyridopyrazine derivative was first dissolved in dimethyl sulfoxide to prepare the stock solutions. The synthetic compounds were then screened against electric eel acetylcholinesterase (eeAChE) and equine butyrylcholinesterase (BChE) at different concentrations (1 µM or 10 µM) of dimethyl sulfoxide as negative control in primarily screening. The compounds which showed &#8805; 50% inhibition were further evaluated by making their serial dilutions (~ 6 to 7 times) with buffer (50 mM Tris-HCl, 0.02 M MgCl2 6H2O, and 0.1 M NaCl at pH 8.0). The reaction mixture which comprised of buffer solution (20 µL), synthetic compound (10 µL) and enzyme (0.5 and 3.4 U/mg, eeAChE or equine BChE) was primarily incubated for ten minutes at room temperature (25 C). Subsequently to the mixture, once the preincubation over, the acetylthiocholine iodide or butyrylthiocholine chloride (10 &#956;L of 10 mM) was added and incubated it further for 
7034	1	Colorimetric Assay	Briefly, the tested compounds were solubilized in DMSO and serially diluted into concentrations for the inhibitory test. The assays were carried out in a final volume of 100 µL containing 50 mmol/L MOPS, pH 6.5, 2 mmol/L pNPP, 21 nmol/L GST-PTP1B or GST-TCPTP, and 2% DMSO, and the catalysis of pNPP was continuously monitored on a SpectraMax 340 microplate reader at 405 nm for 3 min at 30 °C
7035	1	Modified Ellman Assay	For rat AChE or BuChE inhibition assays, a reaction mixture (100 &#956;L) containing acetylthiocholine iodide (1 mmol/L, 30 &#956;L) (J&K Scientific) or butyrylthiocholine iodide (1 mmol/L, 30 &#956;L) (TCI Shanghai Development), phosphate-buffered solution(0.1 mmol/L, pH = 7.4, 40 lL), 5% homogenate or 25% serum (10 &#956;L), and different concentrations (DMSO < 1%) of test compounds (20 &#956;L) was incubated at 37 °C for15 min. Then, 5,5&#39;-dithiobis-2-nitrobenzoic acid (DTNB, 0.2%, 30 &#956;L) (J&K Scientific) was added.
7036	1	Cholinesterase Inhibition Assay	The target compounds were dissolved in a mixture of 1 mL DMSO and 9 mL methanol and diluted in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0) to obtain final concentrations.For each compound, five different concentrations were tested to obtain the range of 20-80% enzyme inhibition. The assay medium was composed of 3 mL of phosphatebuffer (0.1 M, pH 8.0), 100 µL of DTNB (0.01 M), 100 µL of enzyme solution (AChE or BuChE, 2.5 unit/mL), and 50 µL of test compound. After incubation for 10 minutes in 25 °C, 10 µL of substrate (ATChI or BTChI, 0.15 M) was added and the rate of absorbance change was measured at 412 nm for 6 min.
7037	1	DPP-IV Inhibition Activity	A 200-µL reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L MgCl2) was preincubated at room temperature for 10 min. The reaction was initiated by the addition of dipeptidyl peptidase DPPIV-GLOTM to the substrate H-Gly-Pro-AMC, and the reaction mixture was incubated at room temperature for 25-45 min. Thefluorescence intensity (F) at excitation 355 nm and emission 460 nm was then measured using photometer 5010 in 96-well plates. A negative control (no test compound) and a blank control (no enzyme) were run simultaneously. The tested compounds were initially assayed in duplicate at a concentration of 10 µg/mL
7038	1	VEGFR2 Kinase Assay	VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at room temperature for 1-2 h with 100 &#956;L per well of 25 &#956;g mL&#8722;1 poly-(Glu4-Tyr) peptide (Sigma) in Tris-buffered saline (TBS) (25 mM Tris, pH 7.2, 150 mM NaCl). Unbound peptide was washed three times with PBS. The cytoplasmic domain of VEGFR-2 enzyme was diluted (depending on the specific activity of the batch, from 10- to 20-fold) in 0.1% BSA/4 mM HEPES. A master mix of enzyme plus kinase buffer was prepared: (per well) 10 &#956;L of diluted enzyme, 10 &#956;L of kinase buffer (4 mM HEPES, pH 7.4, 1.25 mM MnCl2, 20 mM Na3VO4) and compounds (10 &#956;L) prepared in 100% dimethyl sulfoxide (DMSO) were added to wells with appropriate density. Controls were done by adding DMSO alone, i.e., no test compound, to wells containing the master mix of enzyme plus kinase buffer. After 15 min at room temperature, ATP/MgCl2 (20 &#956;L of
7039	1	Kinase Glo Assay	Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology, which uses a luciferin-luciferase based ATP detection reagent to quantify residual ATP. The assay is performed using 0.75 nM His-RSK2, 0.75 uM ATP and 1.0 uM S6 Kinase/RSK Substrate Peptide 1 (Upstate, catalog #12-124), in assay buffer consisting of 25 mM HEPES, pH 7.5, 10 mM MgCl2, 5 mM MnCl2, 50 mM KCl, 0.2% BSA, 0.01% CHAPS, 100 uM Na3VO4, 0.5 mM DTT, and 1% DMSO. Solutions of test compounds at various concentrations are prepared by 1:3 fold serial dilution of a 1 mM solution of compound in DMSO. The DMSO solutions are further diluted with assay buffer to a final concentration of DMSO of 5%.The assay is performed in a 384 well, white, non-binding plate (Corning, catalogue #3574). Solutions of test compounds (10 uL) are transferred to a dry assay plate, followed by addition of 20 uL kinase.
7040	1	Radioligand Binding Assay	Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligand binding domain (LBD) in the presence of radiolabeled LXR ligand [3H]TO901317. The amount of the LXR-LBD that complexed with [3H]T0901317 was measured by scintillation proximity assay (SPA) employing non-specific binding of LXR-LBD to poly-lysine coated Yttrium silicate beads. Partially purified LXR alpha or beta LBD protein (15-45 nM) was incubated at rt for 30 min with 15 nM [3H]T0901317 (25-40 Ci/mmol) and different concentrations of test compounds in 80 uL of phosphate buffered saline (PBS) buffer containing 2.5% DMSO, 1% glycerol, 2 mM EDTA, 2 mM CHAPS and 5 mM DTT in 96-well plates. Poly-lysine SPA beads (50 ug) were added to each well and the total volume was adjusted to 120 uL. The plates were shaken on an orbital shaker for 20 min and then allowed to settle for 10 more minutes at room temperature.
7041	1	Enzyme Assay	Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP beads), which are available from Molecular Devices (Sunnyvale, Calif.).Assay: The following phosphodiesterase enzymes may be used: 3',5'-cyclic-nucleotide-specific bovine brain phosphodiesterase (Sigma, St. Louis, Mo.) and recombinant full length human PDE1A and PDE1B (r-hPDE1A and r-hPDE1B, respectively) which may be produced e.g., in HEK or SF9 cells by one skilled in the art. The PDE1 enzyme is reconstituted with 50% glycerol to 2.5 U/ml. One unit of enzyme will hydrolyze 1.0 umole of 3',5'-cAMP to 5'-AMP per min at pH 7.5 at 30 C. One part enzyme is added to 1999 parts reaction buffer (30 uM CaCl2, 10 U/ml of calmodulin (Sigma P2277), 10 mM Tris-HCl pH 7.2, 10 mM MgCl2, 0.1% BSA, 0.05% NaN3) to yield a final concentration of 1.25 mU/ml. 99 ul of diluted enzyme solution is added into each assay.
7333	1	Binding Assay	In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the nitrogen. Two mutant channels were also constructed by site-directed mutagenesis. The &#946;-STXo1 data points were collected to demonstrate that STX and its derivatives were oriented similarly within the channel pore. The similar reductions in affinity for STX to &#946;-STXo1 and for cyclohexyl STX to cyclohexyl &#946;-STXo1 provide strong initial evidence that the two molecules both reside in a similar orientation in the channel pore.
7344	2	Calcium Mobilization Assay	Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30&deg; C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
7317	1	Antagonist Activity Assay	Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 h in the absence of serum prior to the assay) stably expressing the human TSH receptor and a CRE-driven firefly luciferase reporter gene. TSI was partially purified from the serum of a GD patient by filtration over a 0.45 mm filter, protein G-Sepharose column chromatography, dialysis against phosphate-buffered saline and subsequent concentrating on a 10K Amicon filter. It was confirmed that the TSI preparation does not activate luciferase activity in control CHO cells lacking the human TSHR. The cAMP phosphodiesterase inhibitor rolipram was included in the assay medium (10 &#956;M) to augment TSHR-induced CRE-luciferase synthesis, which was quantified using a luminescence counter. The cells were incubated with compound A, B or C (0.316 nM-10 &#956;M) together with 3.16 mg/ml TSI (or bovine TSH at a equieffective concentration of 18 nM).
7449	1	KDM5 TR-FRET Assay	Time-resolved fluorescence resonance energy transfer (TR-FRET) assays were carried out using full-length KDM5 enzymes in 384-well black ProxiPlates (PerkinElmer Inc.). The indicated final reaction concentration of KDM5A (2 nM), KDM5B (8 nM) or KDM5C (4 nM) was combined with 2-OG (Sigma) at Km (final reaction concentration of 1 &#956;M for KDM5A and KDM5C and of 2 &#956;M for KDM5B, unless otherwise indicated (20× = 20 &#956;M)) in assay buffer (50 mM HEPES, pH 7.0, 2 mM DTT, 0.5 mM ascorbic acid and 0.01% (vol/vol) Triton-X-100) in a total volume of 2.5 &#956;l. To this we added 2.5 &#956;l of compound that had previously been diluted in ten-point serial dilutions in DMSO and then diluted in assay buffer to 1% DMSO (vol/vol, final). Reaction was initiated by the addition of 5 &#956;l of 200 nM H3K4me3 peptide substrate stock (ARTK(me3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin, New England Peptide) in assay buffer containing 200 &#956;M (NH4)2Fe(SO4)2 hexahydrate (Sigma). Reactions were carr
7449	3	KDM TR-FRET Assay	TR-FRET assays similar to those described above for KDM5 enzymes were carried out with full-length KDM2B, KDM3B, KDM4C, KDM6A and KDM7B.
7449	2	KDM4C Enzymatic Screening Assay	High-throughput MS assays were carried out using truncated KDM4C in 384-well V-bottom polypropylene plates (Greiner, Inc.). His-tagged recombinant KDM4C (1-350) was overexpressed and purified in-house from Escherichia coli BL21(DE3) to near-homogeneity. The demethylation reaction buffer contained 50 mM Tris-HCl, pH 7.5, 0.01% Triton X-100, 5% glycerol, 1 mM sodium ascorbate (Sigma), 5 &#956;M 2-OG (Sigma) and 20 &#956;M Fe2(NH4)2(SO4)2 (Sigma). Compounds were added to the plates from 10 mM DMSO stocks either as mixtures of eight compounds for screening (25 nl each, 10 &#956;M final) or as serial dilutions of single compounds for IC50 determinations. Additional DMSO was added as a backfill (final DMSO: 0.8% (vol/vol)) using a LabCyte Echo 550. In 25-&#956;l demethylation reactions, 400 nM recombinant KDM4C and 20 &#956;M H3K9me3 peptide (1-21 amino acids, New England Peptide) were incubated with compounds for 10 min, and then 2-OG and Fe2(NH4)2(SO4)2 were added to initiate the reaction
7369	1	Cellular Firefly Luciferase Assay (NFkB)	The NF-kB activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293T-luc cellular assay) developed for screening inhibitors of NF-kB. This cell line is stably transfected with a luciferase reporter controlled by an NF-kB dependent promoter. The cell is stimulated with tumor necrosis factor alpha (TNFalpha) which activates NF-kB. NF-kB then binds to one of six promoter regions on the cell's DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light.
7409	1	Homogeneous Time-resolved fluorescence (HTRF) Assay	In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 &#956;l) prepared in Examples 1 to 89, and mixed with ALK enzyme (1 ul) and a peptide substrate (2 &#956;l) with biotin attached thereto for 15 minutes and cultured thereafter. Here, ATP solution (5 &#956;l) was added thereto and kinase reaction was performed at room temperature for 30 minutes. XL 665 (5 &#956;l), to which Streptavidin dissolved in ethylenediaminetetraacetic acid solution was attached, anti-phosphotyrosine antibody (5 &#956;l), to which europium (Eu3+) was attached, were added to a reaction solution to stop the reaction, cultured for 1 hour, and analyzed using Homogeneous Time-resolved fluorescence (HTRF, Cisbio). The result was read by a Wallac Envision 2103 device at the wavelength range of 615/665 nm.
7429	1	Diaxonhit Phosphodiesterase Assay	The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5 mM MgCl2, pH 7.4. PDE10A (BPS Bioscience) was used at 200 pg/well (with a specific activity of 3200 pmole/min/ug with assay conditions: 10 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM MnCl2, 200 uM cAMP, 2.5 kU 5' nucleotidase, 37&deg; C., 20 min) and PDE4D3 (BPS Bioscience) was used at 100 pg/well (with a specific activity of 32713 pmole/min/ug with assay conditions: 10 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM MnCl2, 200 uM cAMP, 2.5 kU 5' nucleotidase, 37&deg; C., 20 min). The Biotin-cAMP tracer, supplied in 10 mmol/L Tris-HCl buffered (pH 8.0) salt solution with 1 mmol/L ethylenediaminetetraacetic acid (EDTA), 0.1% bovine serum albumin (BSA), and 0.05% sodium azide, is used at a dilution of 1/375. The assay detection mixture contained the LANCE Eu-W8044 labeled streptavidin 1/2250 (supplied in 50 mmol/L Tris-HCl buffer).
7481	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula (IA), (I&#8242;) or (I). Serial dilutions of test compounds were incubated with human recombinant Btk (2 nM), ATP (40 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated.
7067	1	Enzyme Inhibition Assay	Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal nitric oxide synthase by fragment hopping. J. Med. Chem., 2009. 52(3): p. 779-97; Ji, H., et al., Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives. J. Med. Chem., 2010. 53(21): p. 7804-24.). Relative enzyme inhibition activity [%] vs. Log (inhibitor concentration [M]) correlation was analyzed by Prism using nonlinear regression method to generate IC50 value. The Ki value was calculated by IC50=Ki(1+[S]/Km).
7499	1	A1 Adenosine Receptor Binding Assay	Aliquots of cell membranes (30 ug proteins) were incubated at 25 &deg;C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/mL ADA, pH 7.4) containing [3H]DPCPX (3 nM) and six different concentrations of the tested compounds. Non-specific binding was determined in the presence of 50 M R-PIA.  The dissociation constant (Kd) of [3H]DPCPX in human A1 AR CHO cell membranes was 3 nM.
7499	2	A2A Adenosine Receptor Binding Assay	Aliquots of cell membranes (30 ug) were incubated at 25 &deg;C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, pH 7.4) in the presence of 30 nM of [3H]NECA and six different concentrations of the tested compounds. Non-specific binding was determined in the presence of 100 uM R-PIA. The dissociation constant (Kd) of [3H]NECA in human A2A AR CHO cell membranes was 30 nM.
7513	1	In Vitro Assay	Cell line generation was performed in general according to established molecular cloning protocols. Specifically, RNA was extracted from human whole blood using the Qiagen RNeasy kit (Qiagen, CH) according to the manufacturer's instructions. Subsequently cDNA was made (Superscript II, Invitrogen AG, CH) and the human P2X7 gene (genbank ref. BC011913) was amplified with the following primers: ATCGCGGCCGCTCAGTAAGGACTCTTGAAGCCACT and CGCCGCTAGCACCACCATGCCGGCCTGCTGCAGCTGCA. The amplified sequence was subsequently ligated into a pcDNA3.1 (+) NotI, NheI digested plasmid. Human embryonic kidney (HEK) cells (ATCC CRL-1573, Manassas, Va., USA) were transfected with the pcDNA3.1 (+). hP2X7 plasmid using lipofectamine 2000 (Invitrogen AG, CH) according to the manufacturer's instructions. Following a 24 h exposure to DNA, cells were trypsinized and re-seeded at low density in the presence of 250 ug Geneticin. Geneticin resistant cells were then selected during two consecutive rounds of cloning by serial limiting dilution with visual inspection.
7551	1	MGAT SPA Assay	MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoyl-CoA as substrates as described by Seethala et al. [Anal. Biochem., 383(2):144-150 (Dec. 15, 2008)]. Briefly, the assays were conducted in 384-well plates in a total volume of 30 uL at 25&deg; C. In each assay, 200 ng of recombinant human MGAT2 membrane was incubated with 10 uM of 2-monooleoylglycerol and 15 uM of [3H]-oleoyl-CoA in 100 mM potassium phosphate (pH 7.4) for 20 min with various concentrations of compounds delivered in DMSO. The assay was terminated by the addition of 20 ul of Stopping Solution (7.5 mg/ml Yttrium Oxide Polylysine beads, 3.3 mg/ml Fraction V BSA and 200 uM Mercuric chloride in 50 mM HEPES, pH 7.4). The signal was measured 1 h after quenching the reaction using LEADSEEKERSM for 5 minutes. To calculate the degree of inhibition, the zero level of enzyme activity (blank) was defined.
7479	1	NNMT Enzymatic Activity Assay	Enzyme activity assays were performed as previously described with NNMT (16.25 ug/mL, 550 nM) in 50 mM Tris buffer (pH 8.6) containing 1 mM DTT (all final concentrations). The enzyme was incubated with the substrate pyridine compound for 5 min at 37 &deg;C using a heat block before the reaction was initiated by addition of AdoMet (for substrates that were not soluble in water, stocksolutions were prepared in DMSO and diluted to a final DMSO concentration of <5% in the assay mixture). As a control, the methylation of nicotinamide was also measured in the presence of 5% DMSO, revealing no difference in enzymatic activity. For these screens, the final reagent concentrations were 100 uM AdoMet and 2.0 mM substrate and a series of time points were initially investigated (5, 15, 30, and 60 min). At each time point, 15 uL aliquots of the reaction mixture were taken and added to 70 uL of acetonitrile, which served to quench the reaction by causing precipitation of the enzyme.
7589	1	Radioligand Binding Assays	Radioligand binding assays at hA1, hA2A, and hA3ARs were performed according to the procedures described in Gao, Z. G., et al., Biochem Pharmacol. 2003; 65: 1675-84, using the radiolabeled agonists [3H]R-PIA from Moravek Biochemicals (Brea, Calif.) or [3H]CGS21680 and [125I]I-AB-MECA from PerkinElmer (Waltham, Mass.) for the hA1, hA2AAR, and hA3AR assays, respectively.
7564	1	TREK1 Assay	The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the Axopatch 200A patch-clamp system. Currents were elicited by 1-second voltage ramps descending from +50 mV to -150 mV (from a holding potential of -70 mV). Data acquisition was controlled by pclamp 10.2 software (Molecular Devices, Sunnyvale,CA, USA). A Digidata 1322A interface was used to convert digital-analog signals between amplifier and computer. Data were sampled at 5 kHz and filtered at 2 kHz. Cell membrane capacitance was measured using the 'membrane test' protocolbuilt into pClampex. The bath solution contained (in mM) 150 NaCl, 10 HEPES, 3 KCl, 2 CaCl2, 2 MgCl2, and 5.5 glucose adjusted to pH 7.3 with NaOH. The pipette solution contained (in mM) 145 KCl, 0.5 CaCl2, 10 HEPES, 4 Mg-ATP, 0.3 Na3-GTPadjusted to pH 7.2 with KOH. All experiments were performed at a room temperature of 20-22 &deg;C. TREK1 currents were recorded in the presence of each 10 &mu;m hit compounds. The block percentage of inhibitors was obtained by measuring the percentage of remaining current.
7658	1	IDE Activity Assay	Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage of the model substrate results in increased fluorescence. Although our selection did not explicitly select for inhibition (only binding is required for enrichment), all four strongly enriched macrocycles inhibited IDE activity with IC50<10uM or equal to 10uM. The most potent macrocycle, trans-A12-B8-C6-D5 (6b), inhibited IDE with an IC50 of 140 nM. The three-dimensional conformation adopted by these compounds appears to be important to their inhibitory activity, as the trans-olefin isomers of macrocycles 3, 5, and 6 exhibit >10-fold stronger potency than the corresponding cis-olefin macrocycle isomers (Table 1). Compounds 1 and 4, which contained glycine (A2) instead of D-benzoylphenylalanine (A12) at the A position were inactive against IDE.
7683	2	Capsaicin-based Assay	One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the experiment, the cells were washed with 0.2 mL 1x Hank's Balanced Salt Solution (Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 ("wash buffer"). Subsequently, the cells were loaded by incubation in 0.1 mL of wash buffer containing Fluo-4 at 3 uM final concentration. After 1 hour, the cells were washed twice with 0.2 mL wash buffer and resuspended in 0.1 mL wash buffer. The plates were then transferred to a Fluorescence Imaging Plate Reader (Molecular Devices). Fluorescence intensity was monitored for 15 seconds to establish a baseline. Subsequently, test compounds diluted in assay buffer (1x Hank's Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) containing 1% DMSO were added to the cell plate and fluorescence was monitored for 2 minutes. The final concentration of the compound was adjusted to range from 100 uM to 1.5625 uM. If the test compound was an especially potent antagonist, the final concentration of the compound was adjusted to range from 10 uM to 1.5625 nM. Human TRPV1 was then activated by the addition of 50 uL capsaicin (100 nM final concentration) and plates incubated for an additional 3 min.
7683	1	pH-based Assay	pH dependent Ca2+ responses in TRPV1/CHO cells cultured in a 96-well plate were determined (see, e.g., FIG. 2 of U.S. Patent Application Publication No. US 2009/0170868 A1). In particular, Ca2+ influx into TRPV1/CHO cells in response to low pH as measured by Fura-2 AM fluorescence was determined. The cells were stimulated using 3.0 mM (well numbers B1-B6), 3.1 mM (C1-C6), 3.2 mM (D1-D6), 3.3 mM (E1-E6), 3.4 mM (F1-F6), 3.5 mM (G1-G6), or 3.6 mM (H1-H6) H2SO4 or pH 7.2 measuring buffer without H2SO4 (A1-A6). Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 uL of loading buffer (20 mM HEPES, 115 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2, 1.8 mM CaCl2, 13.8 mM D-glucose, 2.5 mM probenecid, pH 7.4) containing 5 uM Fura-2 AM (Dojin, Japan). The 96-well plate was incubated at 37&deg; C. for 45 min. The loading buffer was removed from each well. The cells were subsequently washed twice with 150 uL of measuring buffer (20 mM HEPES, 115 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2, 5.0 mM CaCl2, 13.8 mM D-glucose, 0.1% BSA, pH 7.4) (no probenecid). The wells were then refilled with 80 uL of measuring buffer. After an incubation at 4&deg; C. for 15 min, the 96-well plate was transferred to a model FDSS-3000 plate reader apparatus (Hamamatsu Photonics K.K., Japan). The Fura-2 fluorescent intensity was monitored at a wavelength of 340 nm and at 380 nm, respectively, at a rate of 0.5 Hz for a total of 240 seconds. After 16 time points (32 sec) of baseline detection, 20 uL of agonist solution was added to each well. The final volume was 100 uL/well. Fluorescence intensity ratio refers to the fluorescence intensity at 340 nm over the fluorescence intensity at 380 nm at a particular time point. The baseline was set as the average of the fluorescent intensity ratios for the first 16 time points before the addition of agonist solution. The maximum response was the highest fluorescent intensity ratio during the 60 time points following addition of agonist solution.
7683	3	Heat-based Assay	Briefly, hTRPV1/CHO cells were cultured in growth media in a tissue culture dish at 37&deg; C. in a CO2 incubator. On the day of the assay, culture media were removed and the cells were then detached using 0.05% trypsin at 37&deg; C. with 5% CO2, for 90 s. The detached cells were centrifuged (1000 rpm, 4 min) to remove trypsin-containing supernatant and resuspended in assay buffer (115 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2.6H2O, 1.8 mM CaCl2.2H2O, 13.8 mM D-glucose, and 20 mM HEPES). Then, the cells were loaded with 5 uM Fluo-4, a Ca2+ reporter dye, in the presence of 2.5 mM probenecid at 37&deg; C. with 5% CO2, for 45 min. Thereafter, the cells were washed twice with measuring buffer (assay buffer supplemented with 0.1% BSA and 3.2 mM CaCl2) then transferred to a Fast 96-well Reaction Plate (0.1 mL) (Part no. 4346907, MICROAMP, Applied Biosystems, Foster City, Calif.). The cell density was 100,000 cells/24 uL/well. A solution of the compound under test (6 uL/well) was added into each well of the 96-well plate. Thus, the reaction volume per well was 30 uL. The plates were then placed inside an ABI7500 Fast Real-Time PCR instrument (Applied Biosystems) to read fluorescence at different temperatures using 7500 software, version 2.0.2 (Applied Biosystems). The initial temperature was set at 25&deg; C. for 1 min. followed by a temperature ramp to 45&deg; C. in 100 s to deliver heat to cells.
7685	1	Inhibition Assay	48.5 &#956;L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&#949;-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Corning Incorporated), and after addition of 0.5 &#956;l of the test sample (dissolved in N,N&#8242;-dimethylformaldehyde) and 1 &#956;l of Recombinant human BACE-1 (R&D Systems), the reaction mixture was incubated at 30° C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE-1 were adjusted to 18 nM and 7.4 nM respectively, and the reaction was performed in sodium acetate buffer (50 mM sodium acetate, pH 5.0, 0.008% Triton X-10).After the incubation for reaction, 50 &#956;l of 8.0 &#956;g/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer (150 mM K2HPO4 KH2PO4, pH 7.0, 0.008% Trit
7695	1	Fluorescence Polarization Assays	In another embodiment, Fluorescence Polarization ("FP") based assays may be used to detect and monitor ligand binding. Fluorescence polarization is a versatile laboratory technique for measuring equilibrium binding, nucleic acid hybridization, and enzymatic activity. Fluorescence polarization assays are homogeneous in that they do not require a separation step such as centrifugation, filtration, chromatography, precipitation, or electrophoresis. These assays are done in real time, directly in solution and do not require an immobilized phase. Polarization values can be measured repeatedly and after the addition of reagents since measuring the polarization is rapid and does not destroy the sample. Generally, this technique can be used to measure polarization values of fluorophores from low picomolar to micromolar levels.
7697	5	Nuetrophil Elastase Acitivty Assay	Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluorogenic substrate MeOSuc-Ala-Ala-Pro-Val-AMC (Bachem Cat. No. 1-1270, substrate concentration: 250 uM, pH 7.5, 25 mM TRIS buffer, 250 mM NaCl) in analogous fashion as described for the human neutrophil assay.
7703	1	High Throughput Syk Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosphorylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 &#956;L reaction mixture contained 20 &#956;M ATP, 1 &#956;M biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubati
7756	2	Competition Binding Assay	For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate affinity resins. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinase, liganded affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17xPBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100x stocks in DMSO and rapidly diluted into the aqueous environment. DMSO was added to control assays lacking a test compound. Primary screen interactions were performed in polypropylene 384-well plates in a final volume of 34 uL, while Kd determinations were performed in polystyrene 96-well plates in a final volume of 135 uL. The assay plates were incubated at room temperature with shaking for 1 hr, long enough for binding reactions to reach equilibrium, and the affinity beads were washed extensively with wash buffer (1xPBS, 0.05% Tween 20) to remove unbound protein. The beads were then resuspended in elution buffer (1xPBS, 0.05% Tween 20, 2 uM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 min. The kinase concentration in the eluates was measured by quantitative PCR. Each kinase was tested individually against each compound.
7756	3	Adenosine A3 Receptor Radioligand Binding Assay	.(R)- and (S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol was tested in a radioligand binding assay, according to the procedure described in Olah et al., Mol. Pharmacol. 1994, 45, 978-982 and Salvatore et al., Proc. Natl. Acad. Sci. U.S.A. 1993, 90, 10365-10369, in human recombinant CHO-K1 cells expressing the human adenosine A3 receptor. Incubations of a range of concentration of each compound were carried out in duplicates for 1 h at 25&deg; C. in 25 mM HEPES, pH 7.4, 5 mM MgCl2, 1 mM CaCl2, 0.1% BSA, in the presence of 0.5 nM [125I] AB-MECA. Non-specific binding was determined in the presence of 1 uM IB-MECA.
7757	2	FA	fluoresence competitive assay.
7757	3	t-DPPO	Trans-diphenylpropene oxide is used in a radiometric competitive assay.
7789	1	Nav1.7 In Vitro PX Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to -10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes.
7792	2	hERG Inhibition Assay	The effect of compounds of the formula I on the cloned human cardiac hERG channel was evaluated in an in vitro model using a whole-cell patch-clamping technique. CHO (Chinese hamster ovary) cells stably expressing hERG, the potassium channel underlying IKr currents in human hearts, were grown in HAM's F-12 media supplemented with 10% fetal bovine serum, 1x penicillin/streptomycin and 500 ug/ml G418 (Invitrogen, Carlsbad, Calif., USA) in an atmosphere of 95% air and 5% carbon dioxide. Cells used for patch-clamping were seeded on glass or plastic coverslips 12 to 36 hours before use. hERG channel currents were recorded at room temperature using the whole-cell configuration of the patch clamp technique with an Axopatch 200B amplifier (Axon Instruments, Foster City, Calif., USA). Briefly, electrodes (3 to 6 M&Omega; resistance) were fashioned from TW150F glass capillary tubes (World Precision Instruments, Sarasota, Fla., USA) and filled with pipette solution (containing 120 mM potassium aspartate, 20 mM potassium chloride, 4 mM adenosine triphosphate disodium salt, 5 mM HEPES, 1 mM magnesium chloride; pH adjusted to 7.2 with potassium hydroxide). hERG currents were initiated by a positive voltage pulse (20 mV) followed by a negative pulse (-40 mV) and were recorded for off-line analyses. Once hERG current from a cell perfused with external solution (containing 130 mM sodium chloride, 5 mM potassium chloride, 2.8 mM sodium acetate, 1 mM magnesium chloride, 10 mM HEPES, 10 mM glucose, 1 mM calcium chloride; pH adjusted to 7.4 with sodium hydroxide) without the test compound, i.e. control solution, was stabilized, the cell was perfused with external solution containing the test compound at specific concentrations.
7809	2	Inhibition Assay	Test compounds dissolved and diluted in DMSO (2 &#956;l) were added to a reaction mixture comprising 10 &#956;l of 5× Reaction Buffer (40 mM MOPS pH 7.0, 5 mM EDTA), 10 &#956;l of recombinant human PIM2 solution (4 ng PIM-2 dissolved in dilution buffer (20 mM MOPS pH 7.0; EDTA 1 mM; 5% Glycerol; 0.01% Brij 35; 0.1%; 0.1% 2-mercaptoethanol; 1 mg/ml BSA)) and 8 ul of water. Reactions were initiated by the addition of 10 ul of ATP Solution (49% (15 mM MgCl2; 75 uM ATP) 1% ([&#947;-33P]ATP: Stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer)) and 10 ul of substrate peptide solution (RSRSSYPAGT (SEQ ID NO.: 6), dissolved in water at a concentration of 1 mM), Reactions were maintained for 10 min at 30° C. The reactions were quenched with 100 ul of 0.75% Phosphoric acid, then transferred to and filtered through a Phosphocellulose filter plate (Millipore, MSPH-N6B-50). After washing each well 4 times with 0.75% Phosphoric acid, scintillation fluid (20 uL) was added to each well and the resid
7810	1	Discontinuous Radiometric Assay	Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of &Delta;4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5&alpha;-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20&alpha;-hydroxyprogesterone, testosterone or 3&alpha;-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase; SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90); (b) a screen against COX-1 and COX-2 to reaffirm that compounds do not act as NSAIDs; and (c) an expanded screen against other nuclear receptors (especially other steroid hormone receptors).
7837	1	COX-1/COX-2 Inhibition Colorimetric Assay	The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according to the manufacturer&#39;s instructions and as reported before [Roschek et al., J. Med. Food., 12:615-623].
7852	1	&#945;-Glucosidase Inhibition Assay	At 37 °C, after incubation of 10 min of a reaction mixture solution of 70 &#956;L (50 mM) phosphate buffer of 6.8 pH, 10 &#956;L (0.5 mM) of a test compound and 10 &#956;L (0.0234 units, Sigma Inc.) of enzyme, the absorbance was pre-read at 400 nm. Afterwards, 10 &#956;L of 0.5 mM p-nitrophenyl-a-d-glucopyranoside (code No. N1377 fromSigma Inc) was added to instigate the reaction. Later 30 min incubation at 37 °C, yellow coloured p-nitrophenol was formed and the absorbance was again recorded at 400 nm to see the difference. These tests were performed in triplicates and suitable dilutions of samples were made for screening.
7907	2	CYP2D6 Inhibition Assay	CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).
7907	3	hERG Patch Clamp Assay	All testing was carried out in CHO cells transfected with the hERG gene purchased from Millipore (PrecisION hERG-CHO Recombinant Cell Line CYL3038). The cell line was grown in DMEM/F-12, GlutaMAX with 10% fetal bovine serum, 1% Penicillin-Streptomycin, 1% Geneticin and 1% of 1M HEPES buffer solution, and maintained at approximately 37 &deg;C. in a humidified atmosphere containing 5% carbon dioxide. The cells were passaged every 3-5 days based on confluency. On the day of the experiment, 50%-80% confluent cells were harvested from a 175 cm2 culture flask using Detachin. After 10 minutes of exposure to Detachin at 37 &deg;C., the cells were centrifuged for 1 minute at 1000 RPM. The supernatant was removed and the cell pellet was reconstituted in 5-8 mL of serum free media with 2.5% of 1M HEPES, placed on the Qstirrer, and allowed to recover. After a 30 minute recovery period, experiments were initiated.
7908	1	Inhibiton Assay	IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate for ALDH3A1. The assays were performed on a Beckman DU-640 spectrophotometer at various concentrations of inhibitors ranging from 50 nM to 250 &mu;M following a 1 minute pre-incubation. There was no pre-incubation time-dependence to the inhibition. All reactions were initiated by the addition of the aldehyde substrate. The inhibition curves were fit to the Logistic four parameter IC50 equation using the SigmaPlot (v11, StatSys). We characterized the mode of inhibition using steady-state kinetics through co-variation of inhibitor and substrate concentrations. The steady state kinetic measurements were performed in 100 mM Na2HPO4 buffer, pH 7.5. The reaction mixture contained 10 nM ALDH3A1, varied benzaldehyde (50 &mu;M-800 &mu;M; fixed NADP+, 1.5 mM) and varied inhibitor concentrations. In all cases&minus;including the control reactions lacking inhibitors, the final reaction mixture contained 2% (v/v) DMSO. The reaction was initiated by addition of substrate and the initial rate of product formation was determined on a Beckman DU-640.
7979	1	Reporter Assay	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells, respectively, (Invivogen, San Diego, Calif., USA) transfected with a SEAP reporter (secreted embryonic alkaline phosphatase) construct were used, in which the reporter expression is regulated by the NF-&#954;B promoter upon stimulation for 24 hr. The reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Calif., USA) at a wavelength of 640 nm.
8007	1	Inhibition Assay	Assay buffers consist of 20 mM citric acid, 60 mM disodium hydrogen orthophosphate, 1 mM EDTA, 0.1% CHAPS, 4 mM DTT, pH 5.8 for legumain, 50 mM dihydrogen sodium orthophosphate, 1 mM EDTA, 5 mM DTT, pH 6.25 for cathepsin B and cathepsin Land 100 mM Tris, 0.1% CHAPS, 10% sucrose, 10 mM DTT, pH 7.4 for caspase-3. Concentrations of substrates during the measurement were 10 nM (legumain, cathepsin Land caspase-3) and 50 nM (cathepsin B) and concentration of enzymes were 100 nM for cathepsin Land caspase-3, 270 nM for legumain and 360 nM for cathepsin B. Each enzyme was incubated with inhibitor concentrations ranging from 1 nM to 1 mM in the presence of the substrates.
8146	2	Fluorescence Resonance Energy Transfer (FRET) Assay 	The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, respectively). The enzymatic inhibition activity assays were determined using the fluorescence resonance energy transfer (FRET) assay. The assays were performed in a 384-well plate format. The recombinant human BACE-1 enzyme (R&D Systems, catalog#931-AS) was diluted to 20 ng/&#956;L in assay buffer (100 mM sodium acetate pH 4.0), 10 point 1:3 serial dilutions of compound in DMSO were preincubated with the enzyme for 15 min at room temperature. The concentration of Cathepsin D was 20 ng/&#956;L, and 1 ng/&#956;L of Cathepsin E was used. CatD and CatE were activated by incubation in assay buffer (0.1 M NaOAc, 0.2 M NaCl, pH 3.5) at room temperature for 30 min. Subsequently, the rhBACE-1 substrate (R&D Systems, catalog# ES004), the Cathepsin D and Cathepsin E substrate (R&D Systems, Catalog # ES001) were added accordingly to final concentration
8160	2	Enzyme Assay	BT474 Cell Line: 1. 5×103 cells per well in 100 &#956;l of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 100 &#956;l fresh medium was added with various concentrations of compounds into each well, while the medium here was free of FBS.3. After the cells were treated with compounds for 72 hours, 20 &#956;l MTT (5 mg/ml) was added into each well, and then the assay plate was incubated at 37° C. for 4 more hours.4. The assay plate was centrifuged at 800 g for 10 min. The medium was aspirated, 150 &#956;l DMSO was added into each well. The plate was gently shaken for 10 min.5. The absorbance at 570 nm was measured on the plate reader.6. IR %=(WC&#8722;WT)/WC×100%.
8233	1	CA Activity Assay	The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (Shimadzu UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05M Tris-SO4 buffer (pH 7.4), 1mL 3 mM 4-NPA, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. The inhibitory effects of the sulphonamide derivativeswere examined. All compounds were tested in triplicate at each concentration used. Different concentrations of the compounds were used.
8285	1	Competition Receptor Binding Assay	Competition receptor binding was performed as previously described [Shoemaker et al., J. Pharmacol. Exp. Ther., 314:868-75]. Briefly, 50 &mu;g of mouse brain homogenates were incubated for 90 minutes to attain equilibrium binding at room temperature with 0.2 nM [3H]CP-55,940, 5 mM MgCl2, and either increasing cannabinoid concentrations (0.1 nM to 10 &mu;M), 10 M WIN-55,212-2 (for non-specific binding) or vehicle (for total binding), in triplicate, in a volume of 1 mL of buffer containing 50 mM Tris, 0.05% bovine serum albumin (BSA) and 1% ethanol vehicle. Reactions were terminated by rapid vacuum filtration through Whatman GF/B glass fiber filters, followed by five washes with ice-cold buffer (50 mM Tris, 0.05% BSA). Filters were immediately placed into 7 mL scintillation vials to which 4 mL of ScintiVerse&trade; BD Cocktail scintillation fluid (Fisher Scientific, Fair Lawn, N.J.) was added. Bound radioactivity was determined after overnight incubation at room temperature and shaking, by liquid scintillation spectrophotometry with an efficiency of 44% (Tri Carb 2100 TR Liquid Scintillation Analyzer, Packard Instrument Company, Meriden, Conn.).
8285	3	Functional Assay	A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gain a better understanding of the intrinsic activity of the analogues that displayed moderate to high sub-micromolar affinity for the CBRs. Reaching full-receptor occupancy, which is predicted to produce maximal efficacy, is desirable at 10 &mu;M concentration of all the compounds was used. The non-selective CB1R/CB2R full agonist CP-55,940 was used as a positive control and it produced 45% AC-inhibition at CB1Rs endogenously expressed in Neuro2A cells (FIG. 19A) and 37% AC-inhibition in CHO cell transfected with hCB2 receptors (FIG. 19B). Most compounds tested exhibit AC-inhibition similar to that produced by the full agonist CP-55,940. TV-5-129, TV-6-249, and TV-6-41, however, produce lower AC-inhibition at CB1Rs than the full agonist CP-55,940 with &minus;4, 18, and 16% inhibition, respectively (FIG. 19A). Despite little or no AC-inhibition observed at CB1Rs, these compounds behaved differently at CB2Rs. Specifically, the three compounds in question exhibited AC-inhibition that was in the range of the inhibition seen with CP-55,940 and were shown to inhibit adenylate cyclase with 22.1, 33.2, and 20.8%, respectively (FIG. 19B).
8286	2	LanthaScreen&trade; Assay (Km ATP)	a) 400 nl of a 1:2.15 serial dilution of test compound(98 &mu;M top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 &mu;l of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1&times; assay buffer(50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 &mu;l of 800 nM fluorescein labeled LRRKtide peptide substrate and 184 &mu;M ATP solution in 1&times; assay buffer to all wells. d) After a 60 minute room temperature incubation, 20 &mu;l of TR-FRET Dilution Buffer(Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision&trade; multi-mode plate reader with LanthaScreen&trade; settings. Results are analysed using Assay Data Analyzer.
8308	1	Kinase Activity Assay (NADH Read-Out)	Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Germany) is used. For the assay, 1 &mu;L of a 51-fold concentrated solution of the test compound in DMSO is pipetted into a white 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 25 &mu;L of a solution of c-Met (final concentration 30 nM) and pyruvate kinase/lactate dehydrogenase (Roche Diagnostics, Mannheim, Germany; final concentration 8 mg/L) in assay buffer [3-(N-morpholino)propanesulfonic acid (MOPS), 50 mM, pH 7; MgCl2, 10 mM; bovine serum albumin (BSA), 0.01%; Triton X 100, 0.01%; DTT, 2 mM] are added, and the mixture is incubated for 5 min at room temperature. Then, the kinase reaction is started by the addition of 25 &mu;L of a solution of adenosine triphosphate (ATP, final concentration 30 &mu;M), substrate (final concentration 100 &mu;M), nicotinamide adenine dinucleo-tide (NADH, final concentration 50 &mu;M) and dithiothreitol (DTT, final concentration 2 mM) in assay buffer, and the resulting mixture is incubated for a reaction time of 100 min at 32&deg; C. Subsequently, the amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence. Therefore, the fluorescence emissions at 465 nm after excitation at 340 nm is measured in a fluorescence reader, e.g. Tecan Ultra (Tecan, M&auml;nnedorf, Switzerland).
8308	2	Kinase Homogeneous Time-Resolved Fluorescence Assay	The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni-NTA affinity chromatography and consecutive size exclusion chromatography (Superdex 200), is used. Alternatively, commercially available c-Met (Millipore) can be used. As substrate for the kinase reaction, the biotinylated poly-Glu, Tyr (4:1) copolymer (#61GTOBLC, Cis Biointernational, Marcoule, France) is used. For the assay, 50 mL of a 100-fold concentrated solution of the test compound in DMSO is pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 &mu;L of a solution of c-Met in assay buffer [25 mM Hepes/NaOH, pH 7.5; 5 mM MgCl2; 5 mM MnCl2; 2 mM dithiothreitol; 0.1% (v/v) Tween 20 (Sigma); 0.1% (w/v) bovine serum albumin] are added, and the mixture is incubated for 15 min at 22&deg; C. to allow pre-binding of the test compound to the enzyme before the start of the kinase reaction. Then, the kinase reaction is started by the addition of 3 &mu;L of a solution of adenosine triphosphate (ATP, 16.7 &mu;M; final concentration in the 5 &mu;L assay volume is 10 &mu;M) and substrate (2.27 &mu;g/mL, final concentration in the 5 &mu;L assay volume is 1.36 &mu;g/mL 30 nM) in assay buffer, and the resulting mixture is incubated for a reaction time of 30 min at 22&deg; C. The concentration of c-Met in the assay is adjusted depending on the activity of the enzyme lot and is appropriately chosen to have the assay in the linear range; typical enzyme concentrations are in the range of about 0.03 nM (final concentration in the 5 &mu;L assay volume). The reaction is stopped by the addition of 5 &mu;L of a solution of HTRF detection reagents [40 nM streptavidine-X Lent and 2.4 nM PT66-Eu-chelate, an europium-chelate labelled anti-phosphotyrosine antibody (Perkin-Elmer)] in an aqueous EDTA solution [100 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES/NaOH, pH 7.5]. The resulting mixture is incubated for 1 h at 22&deg; C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XLent and the PT66-Eu-chelate. Subsequently, the amount of phosphorylated substrate is evaluated by measurement of the resonance energy transfer from the PT66-Eu-chelate to the streptavidine-XLent. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm are measured in an HTRF reader, e.g. Rubystar (BMG Lab-technologies, Offenburg, Germany) or Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm is taken as the measure for the amount of phosphorylated substrate.
50047381	37	ChEMBL_1572860 (CHEMBL3800996)	Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resonance assay
7043	1	Tyrosine Kinase Activity Assay	Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Germany) is used. For the assay, 1 uL of a 51-fold concentrated solution of the test compound in DMSO is pipetted into a white 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 25 uL of a solution of c-Met (final concentration 30 nM) and pyruvate kinase/lactate dehydrogenase (Roche Diagnostics, Mannheim, Germany; final concentration 8 mg/L) in assay buffer [3-(N-morpholino)propanesulfonic acid (MOPS), 50 mM, pH 7; MgCl2, 10 mM; bovine serum albumin (BSA), 0.01%; Triton X 100, 0.01%; DTT, 2 mM] are added, and the mixture is incubated for 5 min at room temperature. Then, the kinase reaction is started by the addition of 25 uL of a solution of adenosine triphosphate (ATP, final concentration 30 uM), substrate (final concentration 100 uM), nicotinamide adenine dinucleotide.
7043	2	Homogeneous Time-Resolved Fluorescence Assay	The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni-NTA affinity chromatography and consecutive size exclusion chromatography (Superdex 200), is used. Alternatively, commercially available c-Met (Millipore) can be used. As substrate for the kinase reaction, the biotinylated polyGlu,Tyr (4:1) copolymer (#61GT0BLC, Cis Biointernational, Marcoule, France) is used.  For the assay, 50 mL of a 100-fold concentrated solution of the test compound in DMSO is pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 uL of a solution of c-Met in assay buffer [25 mM Hepes/NaOH, pH 7.5; 5 mM MgCl2; 5 mM MnCl2; 2 mM dithiothreitol; 0.1% (v/v) Tween 20 (Sigma); 0.1% (w/v) bovine serum albumin] are added, and the mixture is incubated for 15 min at 22 C. to allow pre-binding of the test compound to the enzyme before the start of the kinase reaction.
7045	1	In Vitro Binding Assay	Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole according to the methods by Finlayson et al. (K. Finlayson., L. Turnbull, C. T. January, J. Sharkey, J. S. Kelly; [3H]Dofetilide binding to HERG transfected membranes: a potential high throughput preclinical screen. Eur. J. Pharmacol. 2001, 430, 147-148). Compounds were incubated at 1 or 10 &#956;M final concentration, in duplicate, and the amount of displaced 3[H]-astemizole determined by liquid scintillation spectroscopy. In some cases, a seven concentration (each concentration in duplicate) displacement curve was generated to determine an IC50.
7045	2	Binding Assay	Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; Binding characteristics of 3H-prazosin to rat brain a-adrenergic receptors. Eur. J. Pharmacol. 1979, 55: 323-326). Compounds were incubated at 0.3 or 3 &#956;M final concentration, in duplicate, and the amount of displaced 3[H]-prazosin determined by liquid scintillation spectroscopy.Binding IC50 values were determined from displacement curves (four-six concentrations, each concentration in duplicate) fit by a non-linear, least squares, regression analysis using MathIQ (ID Business Solutions Ltd., UK). The binding Ki&#39;s were determined from the IC50 according to the method of Cheng and Prusoff (Y. Cheng and W. H. Prusoff, Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 percent inhibition (IC50) of an enzymatic reaction. Biochem. Pharmacol. 1973, 22: 3099-3108).
7047	1	Enzymatic Assay	All enzymatic assays are carried out in triplicate at 37° C. using a stopped assay procedure by measuring the amount of 4-nitrophenolate liberated as determined by absorption measurements at 400 nm. Reactions (50 &#956;L) are initiated by the addition, via syringe, of enzyme (3 &#956;L). Time-dependent assay of &#946;-hexosaminidase has revealed that the enzyme is stable in the buffer over the period of the assay: 50 mM citrate, 100 mM NaCl, 0.1% BSA, pH 4.25. &#946;-hexosaminidase is used at a concentration of 0.036 mg/mL with pNP-GlcNAc as a substrate at a concentration of 0.5 mM.
7048	1	Luciferin-Luciferase Assay	The activity of ROCKII (1-543) kinase was measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-luciferase to quantify residual ATP. The assay was performed in 384-well low-volume, white, non- binding surface micro titer plates (Corning). The assay buffer was 25 mM HEPES, pH 7.5, 10 mM MgCl2, 50 mM KC1, 0.2% BSA, 0.01% CHAPS, 100 uM Na3VO4 and 0.5 mM DTT. Test compounds, dissolved in neat DMSO at 500 ug/mL, were serially diluted for dose response for a final starting concentration of 3 ug/mL in 1% DMSO of assay buffer. ROCKII (1-543) (62,408Da) was diluted in assay buffer to a final concentration of 7.5 nM in a total volume of 15 ul. Positive controls were reaction mixtures containing no test compound; negative controls (blanks) were reaction mixtures containing no kinase.
7048	2	IMAP Assay	This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices (Sunnyvale, CA) in IMAP kinase reaction buffer (Tris-HCl, pH 7.2, 10 mM MgC12 , 0.05% NaN3, 0.1% phosphate-free BSA) containing 1 mM DTT. Test compounds dissolved in neat DMSO at 0.3 mg/mL are serially diluted 1 to 3 for concentration response in 100% DMSO. The DMSO serial dilutions are further diluted 33.33-fold in kinase reaction buffer, and 10 L of this buffer dilution is transferred to Corning black 96-well half area NBS plates for a final top concentration of 3 ug/mL in 1% DMSO. 10 aliquot of 3 nM ROCKII (1-543) diluted in kinase reaction buffer is added to each assay well for a final concentration of 1 nM kinase. 10 uL of a mixture of 600 nM FAM S6 peptide and 300 uM ATP diluted in kinase reaction buffer is added to each well for a final concentration of 200 nM peptide and 100 uM ATP.
7049	1	Binding Assay	The synthesized substances were examined in a PAR1 binding test. This tested whether the substances can inhibit the binding of a radioactively labeled PAR1 agonist known from the literature at the PAR1 receptor (Ho-Sam Ahn, Mol Pharm, 51:350-356, 1997). The human PAR1 receptor was expressed transiently in High Five insect cells. From these cells, after 48 hours, a membrane preparation was produced by standard methods, aliquoted into 10 mM Tris-HCl; 0.3 mM EDTA; 1 mM EGTA; 250 mM sucrose pH 7.5, and stored at -80 C.The substances were preincubated with the membrane at room temperature for 15 minutes, then the radioligand (ALA-(para-F-Phe)-Arg-ChA-homoArg-(3,4-3H-Tyr)-NH2; approx. 40 Ci/mMol) was added. The end concentration of the radioligand in the test buffer (50 mM Tris-HCl; 10 mM MgCl2; 1 mM EGTA; 0.1% BSA; 2% DMSO) was 20 nM, that of the membrane 1 mg/ml. After an incubation time of 60 minutes, 25 uL of the mixture were transferred to a 96-well MultiScreenHTS FB.
7042	1	Binding Assay	The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind phospholipids with high affinity and specificity. The Scintillation Proximity Assay is based on the properties of weakly emitting isotopes (such as 3H, 125I, 33P). Coating SPA beads with neomycin allows the detection of phosphorylated lipid substrates after incubation with recombinant PI3K and radioactive ATP in the same well, by capturing the radioactive phospholipids to the SPA beads through their specific binding to neomycin. To a 384 wells MTP containing 5 ul of the test compound of Formula (I) (solubilized in 2% DMSO; to yield a final concentration of 20, 5, 1.25, 0.3125, 0.0781, 0.0195, 0.0049, 0.0012, 0.0003 and 0.00075 uM of the test compound).
7050	1	MMP-2 Inhibition Assay	This esterase assay used 4-nitrophenylacetate as a substrate. Initially, the rhMMP-2 was diluted to 100 µg/mL with 1 mM APMA in assay buffer. Later, the reaction was incubated at 37&#8451; for 1 hour. Then the rhMMP-2 was diluted to 0.2 µg/mL in assay buffer, whereas the substrate was diluted to 20 µM by assay buffer. To each well of 96-well plate, 50 µL diluted rhMMP-2 was loaded along with 100 µL diverse concentration of test compounds. The reaction was started by adding 50 &#956;L of 20 &#956;M substrate to each well. After progress in kinetic mode for 5 minutes, the results were read at excitation and emission wavelengths of 320 nm and 405 nm, respectively.
7051	1	AChE and BChE Inhibition Assay	To evaluate in vitro AChE activity, modified Ellman&#39;s method was performed using a 96-well plate reader (BioTek ELx808, Highland Park, IL, USA). Each well contained 50 µL potassium phosphate buffer (KH2PO4/K2HPO4, 0.1 M, pH 8), 25 µL sample dissolved in 50% methanol and 50% DMSO, and 25 µL enzyme (final concentration 0.22 U/mL in buffer). They were preincubated for 20 min at room temperature, and then, 125 µL DTNB (3 mM in buffer) was added. Characterization of the hydrolysis of ATCI catalyzed by AChE was performed spectrometrically at 405 nm followed by the addition of substrate (ATCI 3 mM in water). The change in absorbance was measured at 405 nm after 20 min. The IC50 values were determined graphically from inhibition curves (log inhibitor concentration versus percent of inhibition). A control experiment was performed under the same conditions without inhibitor and the blank contained buffer, DMSO, DTNB, and substrate. The described method was also used for BChE inhibition assa
7052	1	DPP-IV Inhibition Screening Assay	DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer&#39;s instructions. Briefly, solutions of test compounds at varying concentrations were prepared in dimethyl sulfoxide (DMSO) and then diluted into assay buffer. Human recombinant DPP-IV was added to the dilutions and preincubated for 30 min at 37 °C before the reaction was initiated by the addition of fluorogenic substrate solution AMC (Gly-Pro-Aminomethylcoumarin). Human recombinant DPP-8 or DPP-9 was added to the dilutions and preincubated for 10 min at 22 °C before the reaction was initiated by the addition of fluorogenic DPP substrate. The kinetics of the reaction wasmonitored (excitation at 380 nm, emission at 460 nm).
7053	1	In Vitro Assay	293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrophysiology system in accordance with the manufacturer&#39;s specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Sodium channel currents were measured in response to a train of depolarizations that induced successively greater inactivation.Cells were held at &#8722;110 mV for three seconds (Nav 1.7) or half a second (Nav 1.5) from a holding voltage of &#8722;15 mV, then put through a series of 26 pulses of 150 msec duration to &#8722;20 mV at a frequency of 5 Hz. Cells were then left unclamped for a period of 3 to 8 minutes while a single concentration of test compound was added. Cells were then reclamped and put through the same voltage protocol. Current at the end of the 26th pulse to &#8722;20 mV was subtracted from the peak current evoked by the 26th pulse to &#8722;20 mV to correct for leak current.
7054	1	Fluorescence-Polarization Binding Assay	The binding affinity of the MDM2 inhibitors was determined using an optimized, sensitive and quantitative fluorescence polarization-based (FP-based) binding assay using a recombinant human His-tagged MDM2 protein (residues 1-118) and a fluorescently tagged p53-based peptide.The design of the fluorescence probe was based upon a previously reported high-affinity p53-based peptidomimetic compound (5-FAM-beta Ala-beta Ala-Phe-Met-Aib-pTyr-(6-Cl-LTrp)-Glu-Ac3c-Leu-Asn-NH2 (SEQ ID NO: 1)) Garcia-Echeverria et al., J. Med. Chem. 43: 3205-3208 (2000)). This tagged peptide is called PMDM6-F. The Kd value of PMDM6-F with the recombinant MDM2 protein was determined from the saturation curve. MDM2 protein was serially double diluted in a Dynex 96-well, black, round-bottom plate, and the PMDM6-F peptide was added at 1 nM concentration. The assay was performed in the buffer: 100 mM potassium phosphate, pH 7.5; 100 ug/mL bovine gamma globulin; 0.02% sodium azide, 0.01% Triton X-100).
7057	1	Inhibition Assay	The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For the enzyme, EGFR [T790M/L858R] (Carna Biosciences, Inc.) was used. The test compound was added to a reaction liquid containing the enzyme protein to give 8 stages of final concentrations ranging from 300 nM to 0.1 nM, followed by incubation for 2 hours. Then, the substrate and the ATP solution were added thereto, followed by reaction for 1 hour. An ATP concentration of 1000 uM was used. A reaction liquid containing the enzyme protein but no test compound (in which the DMSO alone was added as a solvent at 0.4% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition.
7058	1	Competitive Binding Assay	The compounds prepared in the preceding examples were found to bind with high affinity to &#945;-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson&#39;s disease. In order to assess relative binding affinities of the test compounds for aggregated &#945;-synuclein, competition assays were set up with a radiolabeled molecule already known to bind to &#945;-synuclein fibrils and non-radiolabeled test compounds. In order to induce its aggregation, &#945;-synuclein was incubated in phosphate buffered saline (PBS, pH 7.4) at 37° C. for three days with shaking (1,400 rpm). Competitive binding assays were carried out in 12×75 mm borosilicate glass tubes. The reaction mixture contained 100 &#956;L of &#945;-synuclein aggregates (0.5-1 &#956;g), [3H] positive reference compound #1 (100-200 nM diluted in PBS) and 50 &#956;L of competing compounds (10&#8722;5-10&#8722;9 M, diluted serially in PBS containing 0.1% bovine serum albumin) in a final volume of 0.25 ml.
7058	2	Thio S Fluorometry Assay	The Thio S fluorometry assay as a primary screening method to identify tau protein aggregation inhibitors from our small molecule library. Aggregated tau fibrils were prepared in the presence of equimolar ratios of TauRD and heparin (10 &#956;M each) in 20 mM Na-phosphate buffer, pH7.4. The reaction mixture was incubated at 37° C. with shaking (800-1000 rpm) for 22-24 hr (or for 3 days). In the Thio S inhibition assays, test compounds at 0, 0.1, 1, 10 and 100 &#956;M were added at time 0 into the reaction containing TauRD and heparin. The same reaction mixture (+/&#8722; increasing concentrations of compounds) but without TauRD were also set up in parallel to serve as background controls. For all test compounds background fluorescence readings were very low, usually <5% of those of the TauRD-containing wells. For each compound, the IC50 was calculated using Prism version 5 software (GraphPad Software) by nonlinear regression [(Log [inhibitor] vs. normalized response; variable slope)].
7060	1	Inhibition Assay	Without being bound by theory, it is suggested that the compounds described herein may exert their utility by the inhibition of proteases encoded by human immunodeficiency virus. Techniques for measurement of the ability of the compounds herein described to decrease the proteolytic activity of proteases encoded by HIV are well known to those skilled in the relevant art and any one or combination of such techniques can be used to measure the inhibition of protease activity of the compound herein described. One illustrative method is described by Toth and Marshall (Toth & Marshall, Int. J. Pep. Protein Res. (1990), 36, 544-550). The disclosure of the foregoing is incorporated herein in its entirety by reference. 
50047381	38	ChEMBL_1572864 (CHEMBL3801000)	Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resonance assay
7062	1	HTRF-Based IP1 Accumulation Assay	The 5-HT2A receptor antagonistic effect of the test compounds was confirmed by measuring the production amount of IP1 using the HEK293 cell line permanently overexpressing the human 5-HT2A receptor. The test compounds were dissolved in 100% DMSO to a final concentration of 10 mM. The starting concentration of 10 μM was prepared from the stock solution, followed by serial dilutions to prepare working solutions in a buffer containing lithium chloride (LiCl). The cells and compounds prepared in the test buffer were placed in a 96-well plate and incubated at room temperature for 10 minutes. Serotonin of EC80 concentration was added, followed by incubation at 37° C. for 30 minutes in a light-shielding state. To measure IP1 accumulation in cells, IP1-d2 acceptor and IP1-Cryptate donor—which are HTRF-based substances for fluorescence signals—were added and incubated for 1 hour at room temperature in a light-shielded state. The fluorescent emission signals of acceptor and donor were detected, and HTRF ratio values were substracted by mean value of serotonin control.
13359	1	Kinase Experiment Operation	The compound was dissolved with DMSO to a storage concentration of 10 mM.A compound concentration of 100 times the final concentration was prepared in a compound dilution plate, which was diluted from the highest concentration point with a total of 4 concentration points using the 27 times dilution method, and transferred to the Echo plate.The compound was flushed from the Echo plate to the 384 experimental plate using an Echo instrument, and the compound become 11 concentration points of the 3-fold dilution matrix.2× kinase working solution was prepared, which was added to a 384-well experimental plate at 5 μl per well. The compound and the kinase were incubated at room temperature for 15 minutes.5 ul of 2× substrate (containing ATP) was added to the 384 well plate.Incubation was conducted at room temperature for 45 minutes.The detection reagent mixture was added to the 384-well plate, and centrifuged for 30 seconds, and incubation was conducted at room temperature for 60 minutes.The signal values were read using Envision Microplate Reader (PerkinElmer).
13360	1	Time Resolved-Fluorescence Resonance Energy Transfer (Tr-Fret) Assay	TR-FRET assays were used to measure the binding of compounds to TIPARP and PARP1, and to characterize biochemical selectivity. Compound stock solutions (10 mM) were serially diluted in 3-fold increments in dimethyl sulfoxide (DMSO). Diluted compounds were dispensed (30 nL) into white ProxiPlate-384-well plates (PerkinElmer, Waltham, MA, USA) using an ECHO® 550 acoustic Labcyte dispenser (Beckman-Coulter Life Sciences, Indianapolis, IN, USA) to achieve a final starting concentration of 30 μM to 0.5 nM in the assay. This was followed by addition of 5 μL of 2× protein/probe mix (Table 2) made in assay buffer (Tris-HCl 50 mM pH 8.0; 5 mM MgCl2; 5 μM ZnCl2; 1 mM DTT (dithiothreitol); 0.15% BSA (bovine serum albumin) (w/v); and 0.01% TritonX-100 (w/v)) at final concentrations listed in Table 2. Subsequently, 5 μL of 2× antibody (Tb-labeled anti-GST antibody, Thermo Fisher Scientific, Waltham, MA, USA) in HEPES buffered saline was added to each well at a final concentration of 1 nM. The samples were then incubated for 2 hours under ambient conditions. Fluorescence was measured and TR-FR ET ratios were determined on an EnVision multimode plate reader (PerkinElmer) using a 520 nanometer (nm) excitation wavelength and collecting fluorescence emission at 495 nm. Results are shown in Table 3. As shown in Table 3, compounds in keeping with Formula (I) as described herein exhibited high potency for inhibiting TIPARP and comparatively lower inhibition of PARP1 (i.e., high selectivity for TIPARP inhibition).
13361	1	Sodium Influx Assay (In Vitro Assay)	In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel α-subunit and with an expression vector containing full length cDNA coding for the β1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 μg/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2), 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS μCell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2), 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm.
13362	1	BCL-XL Surface Plasmon Resonance (SPR) Binding	Preparation of running buffer: The compositions of protein fixation buffer and running buffer A were the same, in which the concentration of NaH2PO4 was 10 mM, the concentration of Na2HPO4 was 40 mM, the concentration of NaCl was 150 mM, the content of Tween 20 was 0.03%, and the pH was adjusted to 7.4; in running buffer B, the concentration of NaH2OP4 was 10 mM, the concentration of Na2HOP4 was 40 mM, the concentration of NaCl was 150 mM, the content of Tween 20 was 0.03%, the content of DMSO was 5.00%, and the pH was adjusted to 7.4. After the running buffers were prepared, they were filtered with 0.22 μm filter membrane.
13363	1	Test for hERG Potassium Ion Channel	Experimental method: in CHO (Chinese Hamster Ovary) cells stably expressing hERG potassium channel, the whole cell patch-clamp technique was used to record hERG potassium channel current at room temperature. The glass microelectrode was made of a glass electrode blank (BF150-86-10, Sutter) by a puller. The tip resistance after filling the liquid in the electrode was about 2-5 MΩ. The glass microelectrode can be connected to the patch-clamp amplifier by inserting the glass microelectrode into an amplifier probe. The clamping voltage and data recording were controlled and recorded by the pClamp 10 software through a computer. The sampling frequency was 10 kHz, and the filtering frequency was 2 kHz. After the whole cell records were obtained, the cells were clamped at −80 mV, and the step voltage that induced the hERG potassium current (IhERG) was depolarized from −80 mV to +20 mV for 2 s, then repolarized to −50 mV, and returned to −80 mV after 1 s. This voltage stimulation was given every 10 s, and the administration process was started after the hERG potassium current was confirmed to be stable (at least 1 minute). The compound was administered for at least 1 minute at each test concentration, and at least 2 cells (n≥2) were tested at each concentration.
13364	1	Human Autotaxin Assay	ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released from the substrate, lysophosphatidylcholine (LPC) as it is cleaved to LPA. Conditioned media is collected from confluent Hep3B cells and concentrated 10-20-fold using Centriprep-30 filter devices (Millipore). To assay for autotaxin inhibition, 10-20 μL of the concentrated conditioned media is incubated with 2.5 μL of a test compound in DMSO and 72.5-82.5 μL lyso-PLD buffer (100 mM Tris pH 9, 500 mM NaCl, 5 mM MgCl2, 5 mM CaCl2, 0.05% Triton X-100 in the presence or absence of 0.2% fatty-acid-free human serum albumin) for 15 min at 37° C. After the 15 min incubation, 5 ul of 2 mM LPC (14:0; Avanti Polar Lipids Cat #855575C) diluted in lyso-PLD buffer is added for a final concentration of 100 uM and the incubation continued for 1.5-3 hours at 37° C. 100 μl of a color mix containing 4.5 mM 4-aminoantipyrine, 2.7 mM N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine, 21 units/ml horseradish peroxidase and 3 units/ml choline oxidase in 50 mM Tris, pH 8, 4.5 mM MgCl2 is added and the incubation continued for 15 minutes at room temperature before reading the absorbance at 555 nm.
13365	1	Shp2 Biochemical Assay	SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluorescent product, 6,8-difluoromethylumbelliferone (DiFMU).SHP2 was pre-incubated with test compounds and the activating peptide pIRS1 (H2N-LN(pY)IDLDLV-(PEG)8-LST(pY)ASINFQK-amide) for 30 min, prior to addition of the 6,8-difluoromethylumbelliferyl phosphate (DiFMUP), (Thermo Fisher D6567). Final assay concentrations were 10 pM SHP2, 0.25 μM pIRS1 peptide, 50 μM DiFMUP, 25 mM Bis-Tris propane, pH 7.0, 150 mM NaCl, 0.05% (v/v) Tween-20, 0.5 mM TCEP and 5% (v/v) DMSO. Rates of reaction were then measured over 30 min by monitoring fluorescence on a BMG Pherastar reader at excitation 360 nm/emission 450 nm. IC50 values were calculated from the normalized dose-response plots using four parameter logistic curve fit.
13366	1	PARP-1 (poly[ADP-ribose] polymerase 1) Inhibitory Ability	Specifically, in order to evaluate the PARP-1 (poly[ADP-ribose] polymerase 1) enzyme inhibitory ability of the compounds of Examples 1 to 276 according to the present invention, the PARP-1 (poly[ADP-ribose] polymerase 1) activity was investigated in the following manner using an assay kit purchased from Trevigen, Inc. (Catalog number: 4677-096-K). 50 μL of 1×PARP buffer (provided by Trevigen&#39;s kit) was dispensed into a 96-well plate coated with histones per each well, and then rehydrated for 30 minutes. After removing the 1×PARP buffer present in the well, PARP-1 (poly[ADP-ribose] polymerase 1) enzyme (0.5 unit/well) and 1 μM concentration or various concentrations of the compounds of Example 1 to 276 were added at room temperature and reacted for 10 minutes. Thereafter, each well was treated with 25 μL of 1×PARP cocktail (biotinylated NAD, activated DNA, provided by Trevigen&#39;s kit), and then reacted at room temperature for 1 hour. After the reaction was completed, each well was washed twice with PBS (7.5 mM Na2HPO4, 2.5 mM NaH2PO4, 145 mM NaCl) containing 0.1% triton X-100, and washed twice with PBS. Then, 50 μL of strep-HRP (streptavidin-linked peroxidase) was added and reacted at room temperature for 1 hour, and then washed twice with PBS containing 0.1% triton X-100, and washed twice with PBS. After removing all PBS, 50 μL of TACS-sapphire, a substrate, was added, and reacted at room temperature for 15 minutes while blocking the light. After the reaction was terminated by treatment with 50 μL of 5% phosphoric acid to each well, the absorbance was measured at 450 nM using a microplate reader Victor3 from PerkinElmer, Inc. to quantify the value.
13367	1	Inhibitory Effect Against DGAT2 Enzyme Activity	In vitro DGAT2 analysis was performed using a Phospholipid Flash Plate (PerkinElmer) based on the principle of SPA (Scintilation Proximity Assay). First, DGAT2 inhibition compounds serially diluted 5 times from 3 nM to 10 μM (final concentration, 1% DMSO) were mixed in a buffer solution containing 2 μg DGAT2-membrane protein and 20 mM HEPES, 20 mM MgCl2, 1 mg/mL BSA, 50 μM 1,2 sn-oleoyl glycerol (Sigma), put in a 96-well flash plate (FlashPlate) and reacted at 37° C. for 20 minutes, and then 1 μM [14C] ole oil CoA (PerkinElmer, NEC651050UC) was added to be a final volume of 100 μL and further reacted at 37° C. for 15 minutes. After the enzymatic reaction was completed, 100 μL of isopropanol was added, the plate was sealed with a film, and the plate was shaken slowly in a plate shaker. The next day, the amplified scintillation signal (cpm) in Topcounter (Packard) was measured to measure the degree of production of [14C]-labeled triacyl glycerol (TG) as a reaction product. The measured value when the compound was not treated was used as a positive control, and the measured value of the compound treated group was calculated as a relative % to measure the inhibition effect of the compound on TG production. The IC50 value, which is the concentration of the compound that inhibits TG production by 50%, was determined by treating the response value according to the compound concentration with a nonlinear regression curve using PRISM (Graphpad Inc.).
13368	1	IRAK4 Kinase Assay	Table 1: For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 μl of a solution of IRAK4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 μM activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 μl of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 μl of assay volume: 1 mM) and peptide substrate (0.83 μM=final concentration in 5 μl assay volume: 0.5 μM) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the IRAK4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 μl of a solution of TR-FRET detection reagents [0.1 μM streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, “STK Antibody”, catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).
13368	2	Canine IRAK4 Kinase Assay	Table 3: For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 μl of a solution of Irak4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 μM activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 μl of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 μl of assay volume: 1 mM) and peptide substrate (0.83 μM=final concentration in 5 μl assay volume: 0.5 μM) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the Irak4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.1 nM. The reaction was stopped by addition of 5 μl of a solution of TR-FRET detection reagents [0.1 μM streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, “STK Antibody”, catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).
13369	1	Determination of the Binding Ability of the Compounds of the Present Invention to Dopamine D3 Receptor	Assay buffer: 50 mM Tris-HCl pH 7.4, 10 mM MgCl2; wash solution: 50 mM Tris-HCl pH 7.4, stored at 4° C.; 0.5% PEI solution: 0.5 g PEI dissolve in 100 mL ddH2O, 4° C. storage of spare.5 μL of the test compounds (0.005 nM to 100 nM, 10 concentrations in total) and 100 μL of buffer were added to a 96-well assay plate. 1 μL of cell membrane and 300 μL of buffer were added to each well, and the plate was shaken at 600 rpm for 5 min. A mixed solution of 100 μL of buffer and [3H]-methylspiperone (the final concentration was 0.5 nM) was added to each well. The plate was shaken at 600 rpm for 5 min, and incubated at 27° C. for 30 min. The UNIFILTER-96 GF/B filter plate pre-incubated with 0.5% PEI for 1 h was washed twice with the buffer (1 mL/well). The cell membrane suspension was added to the UNIFILTER-96 GF/B filter plate, washed 4 times, and incubated at 55° C. for 10 min. 40 μL of ULTIMA GOLD was added to each well, and liquid scintillation counting was carried out.
13369	2	Determination of the Binding Ability of the Compounds of the Present Invention to 5-HT2A Receptor	Assay buffer: 50 mM Tris-HCl pH 7.4, 4 mM CaCl2); wash solution: 50 mM Tris-HCl pH 7.4, stored at 4° C.; 0.5% PEI solution: 0.5 g PEI dissolve in 100 mL ddH2O, 4° C. storage of spare.5 μL of the test compounds (0.005 nM to 100 nM, 10 concentrations in total) and 100 μL of buffer were added to a 96-well assay plate. 1.5 μL of cell membrane and 300 L of buffer were added to each well. The plate was shaken at 600 rpm for 5 min. A mixed solution of 100 μL of buffer and [3H]-Ketanserin (the final concentration was 2 nM) was added to each well. The plate was shaken at 600 rpm for 5 min, and incubated at 27° C. for 30 min. The UNIFILTER-96 GF/B filter plate pre-incubated with 0.5% PEI for 1 h was washed twice with the buffer (1 mL/well). The cell membrane suspension was added to the UNIFILTER-96 GF/B filter plate, washed 4 times, and incubated at 55° C. for 10 min. 40 μL of ULTIMA GOLD was added to each well, and liquid scintillation counting was carried out.
13370	1	ROCK and JAK Kinase Inhibition Assay	All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 μL aliquot of the 10 mM solutions was transferred to individual wells in column 1 of a 96-well polypropylene microtiter plate (Corning #3363) and diluted with DMSO to give a final compound concentration of 4 mM. Test compounds were then serially diluted 1:5 in DMSO for an 11-point concentration response and further diluted in the assay buffer bringing all compound concentrations to a final range of 100 μM to 10 μM in 2.5% DMSO. The assay was performed in white 96-well, flat-bottom, half-area, non-binding assay plate (Corning #3642) in assay buffer consisting of 20 mM HEPES (pH 7.5), 10 mM MgCl2*6H2O, 100 μM sodium orthovanadate, 0.05% CHAPS and 0.1% bovine serum albumin. A 10 μL aliquot of compound from each well of the intermediate dilution plate and 20 μL of a 2× substrate/enzyme solution containing acceptor substrate (800 nM RSK2 peptide KRRRLSSLRA (SEQ ID NO: 1)), ROCK2 enzyme (10 nM), or ROCK1 enzyme, and 1,4-Dithiothreitol (DTT, 2 uM) were added to all wells. The reaction was initiated by the addition of 10 μL of 4× stock solution ATP (2 μM). Reactions were thoroughly mixed manually, covered and allowed to incubate at room temperature for 75 min. Protein kinase activity was quantitated using Promega&#39;s KINASE-GLO™ luminescent Kinase Assay Kit according to the manufacturer&#39;s directions. ATP concentrations remaining in Test wells following the termination of the enzymatic reaction were compared against control wells containing equivalent amounts of DMSO containing no inhibitor (CTRL). Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× substrate/enzyme solution consisted of acceptor substrate (800 nM Abl peptide EAIYAAPFAKKK (SEQ ID NO:2)), JAK2 or JAK3 enzyme (10 nM) and DTT (2 uM). All other steps and solutions remain identical to the ROCK Kinase Assay above. 
13371	1	TR-FRET Assay	The reaction mixture (10 uL) containing 7.5 nM POLRMT, 15 nM of TFB2M, 30 nM of TFAM, 0.5 nM of DNA template and 500 μM nucleotide triphosphate mix (NTPs) in a reaction buffer (containing 10 mM Tris-HCl (pH 7.5), 10 mM MgCl2, 40 mM NaCl, 10 mM DTT, 0.005% (w/v) Tween-20, 160 units/ml Rnase inhibitor and 0.1 mg/mL BSA) are dispensed to compounds in microplates, using a Thermo Multidrop® dispenser, and incubated at 37° C. in a VWR INCU-Line incubator for 60 minutes after mixing. No nucleotide triphosphate mix is added to negative control samples. Microplates with compounds to be tested in the assay are prepared from 10 mM compound stocks in 100% DMSO, equal amounts of DMSO without any compound are added to positive control and negative control samples. During the incubation, a mix of the detection reagents is prepared in a buffer such that the enzymatic reaction is terminated due to chelating of Mg-ions and increased ionic strength, containing 50 mM Tris-HCl (pH 7.5), 700 mM NaCl, 20 mM EDTA, and 0.01% (w/v) Tween-20. Europium-streptavidin is pre-incubated with a 200-fold molar excess of a random sequence oligonucleotide to block unspecific binding of oligo, for two hours at ambient temperature in the dark. Afterwards, the blocked Europium-streptavidin is kept on ice until use.
13372	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a Histag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fe tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 μL was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 μL of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fe and anti-His antibody conjugated to SureLight®-Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were—3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin
13373	1	GCN2 Enzyme Inhibition	The full-length human GCN2 enzyme (UniProt accession number Q9P2K8) was used for all experiments (Carna Bioscience). The TR-FRET pair was composed of GFP-eIF2α and LanthaScreen Terbium-labeled anti-peIF2α (pSer52) Antibody. Each example compound was dissolved in DMSO (0.15 mM) and dispensed in a 384-well plate by a D300 dispenser (Tecan) to a final concentration range 3000-0.13 nM using the logarithmic dilution mode in 2 replicates. Full inhibition (3000 nM commercial reference inhibitor) and DMSO vehicle control wells were also included on the same plate. All volumes were normalized to the final DMSO concentration of 2% of the reaction volume. Next, 5 μL of H2O was added to each well of the plate.
13374	1	BRET Assay	The Gai biosensor consists of a Rluc8-tagged Gαi2 subunit, a GFP10-tagged Gγ2 subunit, and an untagged Gβ1. Agonist stimulation and GPR84 activation triggers a physical separation between the RLuc8-Gai donor and the GFP10-Gγ2 acceptor, resulting in a decrease in BRET signal whose amplitude is correlated to ligand efficacy (Gales et al., 2006). Moreover, signaling functions of GPCRs are tightly regulated by endocytosis, the targeting of receptors to endosomes and their sorting to lysosomes or recycling to the plasma membrane. The early endosomes (EEs) trafficking assay (Namkung et al., 2016. Nat Commun. 7, 12178) uses Rluc8-tagged GPR84 and Renilla GFP (rGFP) attached to the FYVE domain from human endofin/zinc finger FYVE domain-containing protein 16, which binds phosphatidylinositol 3-phosphate in EEs.
7061	1	Inhibition Assay	Hydroxylated HIF bonds specifically to the von Hippel-Lindau protein-elongin B-elongin C complex (VBC complex). This interaction occurs only if HIF is hydroxylated on a conserved prolyl radical. It is the basis for the biochemical determination of HIF prolyl hydroxylase activity. The test is carried out as described [Oehme F., Jonghaus W., Narouz-Ott L., Huetter J., Flamme I., Anal. Biochem. 330 (1), 74-80 (2004)]:A clear 96-well microtiter plate coated with NeutrAvidin HBC (Pierce) is incubated with blocker casein for 30 minutes. The plate is then washed three times with 200 ul each time of wash buffer (50 mM Tris, pH 7.5, 100 mM NaCl, 10% (v/v) blocker casein, 0.05% (v/v) Tween 20) per well. The peptide biotin-DLDLEMLAPYIPMDDDFQL (Eurogentec, 4102 Seraing, Belgium) is added in a concentration of 400 nM in 100 ul wash buffer. This peptide serves as a substrate for the prolyl hydroxylation and is bonded to the microtiter plate.
7063	1	Radioactive Assay	For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PDE2 and the inhibitory potency of compounds was measured by the conversion of [3H]cAMP to [3H]AMP. [3H]AMP associate to the scintillator soaked yttrium-silicate beads resulting in an increase in scintillation events. Compounds that inhibit the respective enzymes decrease the generation of [3H]AMP and accordingly the number of counts detected.SF9 lysate containing PDE2A is incubated at room temperature for 1 h with [3H]cAMP and the reaction is terminated by addition of SPA beads in 18 mM zinc sulphate. The [3H]AMP bound to SPA beads is determined after at least 3 hours of sedimentation of the beads, the signal is recorded using the TopCount with a recording time of 3 min/well.PDE 2A protein is expressed upon baculovirus infection in SF9 cells. The cells have been incubated upon infection for 3 days and protein production was confirmed.
7063	2	Radioactive Assay	For assessing activity of compounds on PDE10 inhibition, the following modifications of the protocol described below are applied:    protein amount: 3 ng    protein concentration: 75 ug/ul.For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PDE2 and the inhibitory potency of compounds was measured by the conversion of [3H]cAMP to [3H]AMP. [3H]AMP associate to the scintillator soaked yttrium-silicate beads resulting in an increase in scintillation events. Compounds that inhibit the respective enzymes decrease the generation of [3H]AMP and accordingly the number of counts detected.SF9 lysate containing PDE2A is incubated at room temperature for 1 h with [3H]cAMP and the reaction is terminated by addition of SPA beads in 18 mM zinc sulphate. The [3H]AMP bound to SPA beads is determined after at least 3 hours of sedimentation of the beads, the signal is recorded using the TopCount.
7063	3	Fluorescence Polarization Assay	The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for ~3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component).
7064	1	Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. 
7066	1	TR-FRET Assay	Kinase reaction conditions:400 nM GFP-4E-BP1, 8 uM ATP, -150 ng/mL mTOR, 50 mM HEPES pH 7.5, 0.01% Polysorbate 20, 1 mM EGTA, 10 mM MnC12, and variable amounts of test compounds.Preparation of Reagents:Note: Thaw and keep mTOR, the substrate, ATP, and the antibody on ice prior to making working dilutions. Working dilutions of these components can be kept at room temperature for short periods of time the day of use.1. Add 2 ml of 5X Assay Buffer to 8 ml water to prepare 10 ml of IX Assay Buffer. Note: The concentration of IX Assay Buffer is 50 mM HEPES pH 7.5, 0.01% Polysorbate 20, 1 mM EGTA, and 10 mM MnC12.2. Prepare Antibody/EDTA Solution by first adding 2.75 ul of Tb-anti p4E-BPl Antibody to 2397 ul of LanthaScreenTM TR-FRET Dilution Buffer. Then, add 100 ul of 0.5 M EDTA. 3. Prepare 4X Substrate/Enzyme Solution by first adding 72 ul of GFP-4E-BP1 (22 uM) to 926 ul of IX Assay Buffer. Then, add 1.6 ul of mTOR (0.45 mg/mL). 4.
7068	2	FLIPR Assay	The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were added to the cells expressing the chemokine receptor of interest and the agonist activity was read at 10 seconds. After a further incubation for 10 minutes, the cells were activated, with a concentration equivalent to the AC80, using a reference agonist in order to detect whether this compound exhibits antagonist activity.Each cell line expressing a chemokine receptor was established on the basis of the Chem-1 cell stably expressing the recombinant form of the chemokine receptor and also an associated G protein, with the aim of coupling the receptor to the calcium signalling pathway. 21 receptors belonging to the chemokine receptor family (CCRs and CXCRs) were analyzed. All the CXCR2 antagonists were tested in a dose-dependent manner and the concentration corresponding to 50% inhibition of the response was determined (IC.sub.50).
7069	1	Radioligand Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 uL ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hrs. Fifty L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count.
7069	2	Radioligand Binding Assay	Radioligand binding assays were conducted using freshly thawed membranes expressing human mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand dose-displacement binding assays for human mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hrs at about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 uL of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hrs.
7069	3	Radioligand Binding Assay	Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;L binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
7069	4	Radioligand Binding Assay	Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant delta opioid receptor expressed in CHO-K1 cells; Perkin Elmer) in a final volume of 500 &#956;L binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
7070	1	Kinase Assay	Pharmacol 2002, 62 58-62) The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity and of the ALK-5 phosphorylation of &#945;-Casem Materials. Buffer 50 mM HEPES, pH 76, with 10 mM NaCI, 10 mM MgCI2, and 1 mM DTT  GST-ALK-5 protein - 0 44 mg/ml (roughly 7 &#956;M stock) A 1 350 dilution gives a 20 nM stock, which translates to 2 nM final in assay Human ALK-5 was expressed in Sf9 insect cells infected with Bacul ovirus expressing a ALK-5 truncation sequence (amino acids H149 -M503), fused at the N-terminus to Glutathione S-transferase GST, in a pFastBac vector (Invitrogen) The cells were disrupted by sonication at 4 0C The lysate was centrifuged at 40,000 x g for 45 minutes, and the supernantant applied to a 10 ml column of Glutathione Sepharose 4 Fast Flow (AmershamBioscienses) equilibrated with 100 mM T&#960;s-HCI pH 76 buffer containing 300 mM NaCI, 10% glycerol, 1 % NP40, 2 mM dithiothreitol (DTT) and one Protease...
7071	1	Inhibition Assay	PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphatidylinositol 4,5-phosphate (PIP2) using a fluorescence polarization displacement assay. The decrease in fluorescence polarization of a fluorescent PIP.sub.3 probe is measured as it is displaced from a PIP.sub.3-binding protein GRP-1 detector by PI3K-catalyzed product. Assays were conducted in 384-well black Proxiplates in the presence of 10 mM Tris (pH 7.5), 50 mM NaCl, 4 mM MgCl.sub.2, 5% glycerol, 25 .mu.M ATP, 10 .mu.M PIP.sub.2 (Echelon Biosciences), 0.05% 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate, 1 mM dithiothreitol, and 2% DMSO. The kinase reactions were initiated by the addition of 40 ng/mL p110.alpha./p85.alpha., 300 ng/mL p110.beta./p85.alpha., 40 ng/mL p110.gamma., or 40 ng/mL p110.delta./p85.alpha. (Upstate Group, Millipore; Dundee, UK), and 10 .mu.M PIP.sub.2 (Echelon Biosciences) to the wells.
7072	1	Inhibition Assay	The PPlase activity of recombinant CypA or D, produced by thrombin cleavage of GST-CypA or D, was determined by following the rate of hydrolysis of N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide by chymotrypsin. Chymotrypsin only hydrolyzes the trans form of the peptide, and hydrolysis of the cis form, the concentration of which is maximized by using a stock dissolved in trifluoroethanol containing 470 mM LiCl, is limited by the rate of cis-trans isomerization. CypA or D was equilibrated for 1 h at 5° C. with selected test article using a drug concentration range from 0.1 to 20 nM. The reaction was started by addition of the peptide, and the change in absorbance was monitored spectrophotometrically at 10 data points per second. The blank rates of hydrolysis (in the absence of CypA or D) were subtracted from the rates in the presence of CypA or D. 
7072	2	In Vitro Uptake Transporter Assay	To assess the inhibition of the OAT1B1 and OAT1B3 uptake transporters, an in vitro uptake transporter assay from Solvo Biotechnology Inc. was used. Uptake experiments with Test Article (TA) at 0.068, 0.2, 0.62, 1.8, 5.5, 16.7 and 50 uM, were performed on CHO cells stably expressing human SLC transporters OATP1B1 and OATP1B3. Parental cell line CHO-K was used as negative control. Cells (1x105 in 200 ul 1:1 mixture of Dulbecco's Modified Eagle's Medium and Ham's F-12 DMEM (F-12, Lonza, N.J., US) supplemented with 5 mM sodium butyrate) were plated on standard 96-well tissue culture plates and incubated 24 hours before the experiment at 37 C. in an atmosphere of 5% CO2 and 95% air. Before experiments the medium was aspirated by vacuum suction, cells were washed with 2x100 ul of Krebs-Henseleit buffer pH 7.3 (prepared from Sigma chemicals, Sigma-Aldrich, St Louis, Mo.). Uptake experiments were carried out at 37 C. in 50 ul of Krebs-Henseleit buffer.
7072	3	Inhibition Assay	To assess the inhibition of the MRP2, MRP3 and BSEP efflux transporters, an in vitro vesicular transporter assay from Solvo Biotechnology Inc. was used. The Test Articles (TAs) (at 0.068, 0.2, 0.62, 1.8, 5.5, 16.7 and 50 uM) were incubated with efflux transporter membrane vesicles (Solvo Biotechnology Inc.) both in the absence and presence of 4 mM ATP to distinguish between transporter mediated uptake and passive diffusion of TA's into the vesicles. In the case of MRP2 and MRP3 transporters reactions were carried out in the presence of 2 mM glutathione. Reaction mixtures were preincubated for ten minutes at 37 C. Reactions were started by the addition of 25 ul of 12 mM MgATP (4 mM final concentration in assay) or assay buffer for background controls. Reactions were stopped by adding 200 ul of ice-cold washing buffer and immediately followed by filtration on glass fiber filters in a 96-well format (filter plate).
7072	4	In Vitro ATPase Assay	To assess the inhibition of the P-glycoprotein (Pgp/MDR1) transporter, an in vitro ATPase assay from Cyprotex was used. MDR1MDCK cells obtained from the NIH (Rockville, Md., USA) were used. Following culture, the monolayers were prepared by rinsing both basolateral and apical surfaces twice with buffer at pH 7.4 and 37 C. Cells were then incubated with pH 7.4 buffer in both apical and basolateral compartments for 40 min at 37 C. and 5% CO2 with a relative humidity of 95% to stabilise physiological parameters. For the apical to basolateral study (A-B), buffer at pH 7.4 was removed from the apical compartment and replaced with loperamide dosing solutions before being placed in the companion plates. The solutions were prepared by diluting loperamide in DMSO with buffer to give a final loperamide concentration of 5 uM (final DMSO concentration adjusted to 1%). The fluorescent integrity marker Lucifer yellow was also included in the dosing solution.
7073	1	Radioligand Binding Assay	The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros, B. et al., Trends Pharmcol. Sci. 1993, 14, 43-49; Gu, H. et al., J. Biol. Chem. 1994, 269(10), 7124-7130; Shearman, L. P. et al, Am. J. Physiol., 1998, 275(6 Pt 1), C1621-1629; Wolf, W. A. et al., J. Biol. Chem. 1992, 267(29), 20820-20825). The human recombinant transporter proteins dopamine (DAT), norepinephrine (NET) and serotonin (SERT) were selected for the in vitro assays. The radioligand binding assays were carried out at 11 different test concentrations 0.1 nm to 1 &#956;M.
7074	1	Inhibition Assay	Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are previously unpublished. Given the closely related substrate specificity for memapsin 1 and memapsin 2, the inventors chose to screen these previously identified memapsin 2 inhibitors for lead compounds as memapsin 1 inhibitors. Recombinant memapsin 1 ectodomain was prepared as described by Turner et al. (2002) and assayed using a commercially purchased fluorescent substrate. 
7075	1	Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 201.1M tris(2-carboxyethyl)phosphine) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer and pre-incubated with the compounds for 24 hours prior to addition of the substrate.The substrate tripeptide substrate 3 (synthesized in house) for each enzyme was equal to the Km as determined by a substrate titration curve. The enzyme and substrate concentrations used are given in Table 2. The substrates were diluted in assay buffer at 6x their final concentration with 0.3 uM sequencing grade trypsin (Sigma). The substrate/trypsin mix was added to the enzyme/compound mix, the plate was shaken for 60 seconds and placed into a Spectramax M5 microtiter plate.
7076	1	Flag Assay	Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme source for this assay was an epitope-tagged human HDAC1 complex immuno-purified from stably expressing mammalian cells. The substrate consisted of a commercial product containing an acetylated lysine side chain (BIOMOL Research Laboratories, Inc., Plymouth Meeting, Pa.). Upon deacetylation of the substrate by incubation with the purified HDAC1 complex, a fluorophore is produced that is directly proportional to the level of deacetylation. Using a substrate concentration at the Km for the enzyme preparation, the deacetylation assay was performed in the presence of increasing concentrations of novel compounds to semi-quantitatively determine the concentration of compound required for 50% inhibition (IC50) of the deacetylation reaction.
7077	1	In Vitro Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% BSA; 0.01% CHAPS; 100 uM Na3VO4; 0.5 mM DTT) and 10% glycerol at -80 C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase. Method:The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM. All further dilutions of the substances were carried out with 7.5% DMSO.
7077	2	In Vitro Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% HSA; 0.01% CHAPS; 100 uM Na3VO4; 0.5 mM DTT) and 10% glycerol at -80 C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase. Method:The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM. All further dilutions of the substances were carried out with 7.5% DMSO.
7077	3	In Vitro Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 uM in test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 1% HSA; 0.01% CHAPS; 100 uM Na3VO4; 0.5 mM DTT) and 10% glycerol at -80 C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the protein kinase. Method:The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM. All further dilutions of the substances were carried out with 7.5% DMSO.
7078	1	Enzyme Assay	An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal Biochem, 359: 106-111). The biotinylated oligo dT12 primer was captured on streptavidin-coupled imaging beads (GE, RPNQ0261) by mixing primer and beads in 1X buffer and incubating at room temperature for three hours. Unbound primer was removed after centrifugation. The primer-bound beads were resuspended in 3X reaction mix (20 mM Hepes buffer, pH 7.5, dT primer coupled beads, poly A template, 3H-UTP, and RNAse inhibitor (Promega N2515)). Compounds were serially diluted 1:3 in DMSO and aliquoted into assay plates. Equal volumes (10 uL) of water, 3X reaction mix, and enzyme in 3X assay buffer (60 mM Hepes buffer, pH 7.5, 7.5 mM MgCl2, 7.5 mM KCl, 3 mM DTT, 0.03 mg/mL BSA, 6% glycerol) were added to the diluted compound on the assay plate. Final concentration of components in 384-well assay: 0.36 nM template, 15 nM primer.
7081	1	Radioligand Displacement Assay	Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 50 mM Tris-Base, 100 mM NaCl, 1 mM EDTA, 0.1% BSA (protease free), 0.01% NaN3, 10 mM MnCl2 pH 7.0) was placed into each well. After addition of 75 ul Binding-Buffer, 50 ul of the radioligand 3H-PGD2 (at 2.5 nM (220.000 dpm/well) from ANAWA ART0662) was added to each well. Binding assay was started by addition of 100 ul CRTH2 membrane fragments, reaching a final concentration of 20 ug/well. For non-specific binding, PGD2 was added to the reaction mixture to 10 mM final concentration. This assay mix was incubated for 90 minutes at room temperature and then filtered through a GF/C filter 96-well plate which was pre-soaked for 3 hours in 0.5% polyethyleneimine (PEI). The filter-wells were washed three times with ice cold Binding-Buffer. Then, 40 ul of Microscint-40 (Packard) was added to each well.
7082	1	Radioligand Binding Assay	human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5x)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM).
7082	2	FLIPR Assay	1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 ul volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250x the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 uL of the compound into 300 uL of assay buffer. A further 3x dilution occurred when transferring 50 uL/well of the compound plate to 100 uL/well in the cell plate.
7083	1	Inhibition Assay	The object of this assay was to test the inventive compounds for the kinase inhibitory activity in vitro. In this assay, an isotopic labeling method was used to label the gamma phosphate group on ATP. EGFR (including wild type, L858R mutant type and L858R/T790M double mutant type), VEGFR2, ALK, BTK, c-KIT, c-SRC, MET, PDGFRalpha and FLT3 kinases were tested in vitro for the activity inhibition. Staurosporine was used as a reference molecule (or referred to as a positive control). The kinase inhibitory activities of the tested compounds were expressed in the IC50 value (half inhibition concentration) or the kinase activity inhibitory rate by the tested compounds at 10 uM. The IC50 value can be obtained by the calculation of the inhibitory rates at a series of different concentrations of the tested compounds. 1. Materials:    20mM 3-(N-morpholinyl)propylsulfonic acid (MOPS);    1mM Ethylenediaminetetraacetic acid (EDTA);    0.01% Polyethylene glycol lauryl ether (Brij-35).
7084	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for -opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Count.
7084	2	Radioligand Dose-Displacement Binding Assay	Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4 C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of kippa receptor membranes were stored at -80 C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant K opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4).
7084	3	Radioligand Dose-Displacement Binding Assay	&#948;-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 &#956;g membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 &#956;l binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hr at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. 
7084	4	Radioligand Dose-Displacement Binding Assay	Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Perkin Elmer, Shelton, Conn.) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 ml/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4 C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/ml. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of the ORL-1 receptor membranes were stored at -80 C.Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug membrane protein in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4).
7085	1	Inhibiton Assay	For studying inhibition of Plasmodium or human DHODH enzyme, two assays that are in routine use are described, for example, in Baldwin, et al. (2002) JBiol Chem., 277, 41827-41834, and Baldwin, et al. (2005) J. Biol. Chem., 280. 21847-21853.Briefly, this colorimetric assay monitors the reduction of 2,6-dichloroindophenol (DCIP) at 600 nm (e = 18.8 mM-1cm-1) for measuring DHOD inhibition. The assay was carried out using a solution containing 100 mM HEPES, pH 8.0, 150 mM NaCl, 10% glycerol, 0.1% Triton X-100, 20 micro molar CoQD (coenzyme QD), 200 micro molar L-dihydroorotate, and 120 micro molar DCIP. Reactions are initiated by addition of enzyme to a final concentration in the range of about 5 nM to about 50 nM while maintaining the temperature of a circulating water bath at 25 ° C. Alternatively, for potent compounds, activity was determined by directly measuring the production of orotic acid at 296 nm ( µ = 4.3 mM-1 cm-1).
7086	1	In vitro Cyclooxygenase (COX) Inhibition Assay	The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according to previously reported method.
7087	1	&#945;-Glucosidase Inhibitory Activity	The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The solution of Enzyme 20 µL was added into the wells, and incubated the plate for 15 min. After incubation pre-read of the plate was taken by the spectra max. Afterward 25 µL of the substrate (pNPG) was added and a reading was taken on spectra max at 400 nm for 30 min. The normal reading is taken and the percent inhibition was calculated.
7088	1	Baker's Yeast alpha-Glucosidase Inhibition Assay	The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of test compounds (10 uL) were dissolved in DMSO (ranging from 200 to 6.25 ug/mL) and premixed with 95 uL of 50 mM phosphate buffer (pH 6.8). Then, 25 uL of enzyme (0.0625 U/mL) in phosphate buffer saline was added into each well and the plate was incubated at 37 &deg;C for 10 min. Afterward, 25 uL of PNPG in phosphate buffer saline (5 mM) were added and pre-read of the plate was taken by using a microplate reader (Spectrostar Nano BMG Labtech, Germany). The reaction mixture was then incubated at 37 &deg;C for 30 min and change in absorbance at 405 nm was monitored up to 30 min. For negative control, the test samples were replaced with 10 uL of DMSO and acarbose was used as positive control. All experiments were triplicated and the results were expressed as the mean +/- S.E.M of three determinations.
7089	1	AChE and BChE Inhibitory Activities	Newly synthesized coumarin thioureas were tested against electric eel AChE and horse serum BChE. The cholinesterase inhibitory activity was measured using standard protocol. Donepezil and neostigmine were used as standard references in the assay. The compounds were initially tested against theseenzymes at 1 mM concentration.
7090	1	&#945;-Glucosidase Assay	The &#945;-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 µL reaction mixture contained, 70 µL 50 mM phosphate buffer, pH 6.8, 10 µL (0.5 mM) test compound, followed by the addition of 10 µL (0.0234 units, Sigma Inc.) yeast &#945;-glucosidase enzyme. Thecontents were mixed, preincubated for 10 min at 37 °C and preread at 400 nm. The reaction was initiated by the addition of 10 µL of 0.5 mM substrate (p-nitrophenyl glucopyranoside, Sigma Inc.). After 30 min of incubation at 37 °C, absorbance of the yellow color produced due to the formation of p-nitrophenol was measured at 400 nm using Synergy HT (BioTek, USA) 96-well microplate reader. Acarbose was used as positive control.
7090	2	AChE and BChE Assay	The AChE inhibition assay was performed according to the Ellman&#39;s method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 buffer, pH 7.7. Ten µL test compound (0.5 mM well#1) was added, followed by the addition of10 µL (0.005 unit well#1 AChE, 0.5 unit well#1 BChE, Sigma Inc.) enzyme. The contents were mixed, pre-incubated for 10 min at 37 °C and pre-read at 405 nm. The reaction was initiated by the addition of 10 µL of 0.5 mM well#1 substrate (acetylthiocholine iodide or butyrylthiocholine chloride, Sigma Inc.), followed bythe addition of 10 µL DTNB from Sigma Inc. (0.5 mM well#1). After 15 min of incubation at 37 °C, absorbance was measured using 96-well plate reader Synergy HT, Biotek, USA. All experiments were carried out with their respective controls in triplicate. Eserine (0.5 mM well#1) was used as a positive control.
7091	1	Enzymatic Activity Assay	The mushroom tyrosinase inhibition activity of hydroxy naphthylchalcone compounds was measured using L-DOPA as substrate. The activity assay used 3 ml of reaction medium containing 0.5 mM L-DOPA in 50 mM Na2HPO4-NaH2PO4 buffer (pH 6.8). The final concentrations of tyrosinase was 3.33 mg/ml. The substrate reaction progress curve was analyzed to obtain the reaction rate constants. The reaction was carried out at 30 °C and pH 6.8.
7092	1	Urease Inhibition Assay	This assay was modified from Berthelot assay and was employed for the determination of urease activity. The assay is based on the hydrolysis of urea into ammonia which reacts with phenol-hypochlorite to form light blue colored complex measured at 625 nm. A total volume of 85 µl assay mixture contained 10 µl of 50 mM phosphate buffer, pH 7.0, 10 µl of sample solution and 25 µl of Bacillus pasteurii urease (Sigma) solution (0.015 units). The contents were pre-incubated at 37 °C for 10 min. Then, 40 µl of urea stock solution (20 mM) was added to each well and incubation continued at 37 °C for further 10 min and preread at 625 nm using the 96-well plate reader Synergy HT (Biotek Inc.). Phenol hypochlorite (115 µl) reagent was added in each well (freshly prepared by mixing 45 µl phenol reagent with 70 µl of alkali reagent). For color development, incubation was done at 37 °C for another 10 min. Absorbance was again measured at 625 nm.
7093	1	Thymidine Phosphorylase Inhibition Assay	TP inhibition assay was performed spectrophotometrically. The method of Bera et al. was followed with slight modifications. Reaction mixture of 200 µL, contained 20 µL of enzyme (0.058 unit/well), 150 µL of potassium phosphate buffer (pH 7.0, 50 mM), and 10 µL of test compound (0.5 mM). The reaction mixture was then incubated for 10 min at 30 °C. After 10 min, substrate (thymidine, kmax; 265 nm) (20 µL, 1.5 mM) was added, and change in absorbance was observed for 10 min at 290 nm in 96-well ELISA plate reader (Spectramax, Molecular Devices, CA, USA). Every experiment was run in triplicate. 7-Deazaxanthine was used as positive control.
7094	1	Ribonuclease Activity Assay	The Ribonuclease Activity assay used was adapted from the procedure described by Anfinsen et al. and Slifman et al. Determination of ribonuclease activity of RNase A and EDN proceeded as follows: yeast tRNA (Sigma-Aldrich) was solubilized in 50 mM sodium phosphate, pH = 7.4, at a concentration of 60 uM. Various tRNA concentrations were used: 2 uM, 3 uM, 4 uM, 5 uM and 6 uM. The final volume of the reaction was 300 ul. tRNA solutions were incubated at 30 C for 10 min. 10 nM of enzyme final concentration from a 0.6 uM stock solution added to the reactionmixture. The reaction was stopped one minute and five minutes later in the case of RNase A and EDN respectively, by the addition of 300 ul of fresh ice-cold solution of 40 mM lanthanum nitrate, 6% v/v perchloric acid. Stopped reactions were maintained on ice for 15 min, and insoluble tRNA was removed by centrifugation at 4 C for 15 min at 14.500 rpm on a bench centrifuge. The amountof cleaved tRNA was determined from the ultraviolet absorbance at 260 nm (A260) of the supernatant fraction.
7095	1	Enzymatic Assay	Hydroxamic acid is a well know metal-chelating agent, especially for Zn atom. The hydroxamic acid moiety has been demonstrated as the key structural element in many highly potent and selective inhibitors against a variety of metalloenzymes, such as matrix metalloproteinases (MMP), tumor necrosis factor-alpha converting enzyme (TACE), Histone Deacetylase (HDAC), Peptidyl deformylase (PDF), A Disintegrin And Metalloproteinase (ADAM), UDP-3-O[R-3-hydroxymyristoyl]-GlcNAc deacetylase, Clostridium Histolytium Collagenase (ChC), Procollagen C-Proteinase (PCP), and Aggrecanase. Many of these metalloenzymes are well known important disease target, such as HDAC and MMP. All hydroxamic acid compounds exemplified in the application have been tested against one or multiple metalloenzymes. The following protocol is used to assay the compounds of the invention against the HDAC enzymes.The buffer used in this assay is 25 mM HEPES, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 and the substrate is Boc.
7097	1	Scintillation Proximity Assay	Compounds of the present invention inhibit CETP-dependent cholesterol ester transfer from HDL to LDL as described here. Dilutions of compounds in DMSO (1 &#956;l) are added to BD plates (#353232). To this is added 20 &#956;l of a mixture containing 3H-CE/HDL (0.15 &#956;l), biotinylated LDL (5 &#956;g protein/ml final concentration) and unlabeled HDL (16 &#956;g/ml final concentration) in a buffer containing 50 mM HEPES, pH 7.4, 150 mM NaCl and 0.05% sodium azide. Reactions are initiated by the addition of 10 &#956;l of buffer containing purified human recombinant CETP, and incubated at 37 C. At the end of the reaction, 60 &#956;l of LEADseeker beads (#RPNQ0261, 2 mg/ml in buffer containing 1 mg/ml BSA and 0.05 mg protein/ml HDL) are added, the plates are covered and subsequently read. Background activity is determined in a set of wells that receive buffer but no CETP.
7099	1	Kinase Assay	The kinase assays were conducted in a 20 &#956;l volume using 384-well plates (Greiner). The reaction mixture consists of compound or vehicle (1% DMSO), 0.08 ng/&#956;l TNIK_N, 1 &#956;M FITC-labeled substrate peptides, including &#949;-aminocaproic acid and 7 amino acids (described as SEQ ID NO. 3 in "Kinase assay of TEST EXAMPLE 1" of WO 2010/064111(P.31)), 20 mM Hepes, pH 7.5, 0.01% Triton X-100, 5 mM MgCl2, 25 &#956;M ATP and 2 mM DTT. As blank, TNIK_N was excluded from the reaction mixture of vehicle (1% DMSO). The kinase reaction was carried out 1 h at room temperature and terminated by addition of 60 &#956;l of the termination buffer (127 mM Hepes, pH 7.5, 26.7 mM EDTA, 0.01% Triton X-100, 1% DMSO and 0.13% Coating Reagent 3 (Caliper Life Sciences)). The amount of unphosphorylated and phosphorylated FITC-labeled substrate peptides was detected by Mobility Shift Micro Fluidic Technology (Caliper LC3000 System, Caliper Life Sciences).
7100	1	Reductase Assay 	The following procedure was followed using a HMG-CoA Reductase assay kit obtained from Sigma-Aldrich (catalogue number CS1090). The assay is based on the spectrophotometric measurement of the decrease in absorbance at 340 nm of NADPH in solution. A decrease in absorbance is caused by the oxidation of NADPH by the catalytic subunit of HMGR in the presence of the substrate HMG-CoA. Effective inhibition of the HMG-CoA leads to a reduction in oxidation of NADPH which in turn leads to a smaller reduction in the absorbance at 340 nm over time. 
50047381	39	ChEMBL_1572868 (CHEMBL3801004)	Binding affinity to human recombinant CA7 assessed as association rate constant after 30 secs by surface plasmon resonance assay
50047381	40	ChEMBL_1572872 (CHEMBL3801008)	Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assay
50047381	41	ChEMBL_1572876 (CHEMBL3801012)	Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assay
50047381	42	ChEMBL_1572880 (CHEMBL3801016)	Binding affinity to human recombinant CA13 assessed as association rate constant after 30 secs by surface plasmon resonance assay
50047381	43	ChEMBL_1572891 (CHEMBL3801214)	Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay
50047381	44	ChEMBL_1572895 (CHEMBL3801218)	Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assay
50047381	45	ChEMBL_1572903 (CHEMBL3801226)	Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay
50047381	46	ChEMBL_1572899 (CHEMBL3801222)	Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assay
7102	2	Biological Assay	For mTOR enzyme activity assays, mTOR protein was isolated from HeLa cell cytoplasmic extract by immunoprecipitation, and activity determined essentially as described previously using recombinant PHAS-1as a substrate (ref 21).
7102	3	In Vitro Assay	This assay determines the ability of test compounds to inhibit phosphorylation of Serine 473 in Akt as assessed using Acumen Explorer technology (Acumen Bioscience Limited), a plate reader that can be used to rapidly quantitate features of images generated by laser-scanning.
7103	1	Radioligand Binding	Human or rat P2X7-1321N1 cells were collected and frozen @-80.degree. C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 .mu.l:10 .mu.l compound (10.times.)+(b) 40 .mu.l tracer (2.5.times.)+50 .mu.l membrane (2.times.). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2009, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4.degree. C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). 
7103	2	FLIPR Assay	Ca.sup.2+flux: 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 .mu.l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl.sub.2, 1 MgCl.sub.2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250.times. the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 .mu.L of the compound into 300 .mu.L of assay buffer. A further 3.times. dilution occurred when transferring 50 .mu.L/well of the compound plate to 100 .mu.L/well in the cell plate.
7104	1	High Throughput Screening Assay	The purified Na/K-ATPase was prepared from pig kidney. The specific activities of Na/K-ATPase of various kidney preparations were in the range of 900-1,200 umol/mg/h, which were greater than 95% of the total ATPase activity. The high throughput screen is conducted in a 96-well format with the final reaction volume of 100 ul containing the following components: 100 mM NaCl, 20 mM KCl, 1 mM MgCl2, 1 mM EGTA, 20 mM Tris-HCl (pH 7.4) and 0.2 ug of purified Na/K-ATPase. After compounds were added, mixtures were incubated for 15 min at 37 C. for 15 min and reaction was initiated by adding 2 mM ATP.Mg mixture.Reactions were carried out for 15 min and then stopped by the addition of 100 ul ice-cold trichloroacetic acid. Reaction mixtures were cleared by centrifugation, and assayed for released phosphate using the BIOMOL GREEN Reagent according to the manufacturer's instructions. In addition, the control Na/K-ATPase activity was measured.
7105	1	Fluorescence Polarization Assays	A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified by HPLC. For competitive binding assays, 100 nM GST-BCL-XL DTM protein was preincubated with the tested compound at varying concentrations in 47.5 uL PBS (pH=7.4) in 96-well black plates at room temperature for 10 min, then 2.5 uL of 100 nM FITC-labeled Bak BH3 peptide was added to produce a final volume of 50 uL. The wild-type and mutant Bak BH3 peptides were included in each assay plate as positive and negative controls, respectively.After 30 min incubation at room temperature, the polarization values in millipolarization units were measured at excitation/emission wavelengths of 480/535 nm with a multilabel plate reader (PerkinElmer). IC50 was determined by fitting the experimental data to a sigmoidal dose-response nonlinear regression model (SigmaPlot 10.0.1, Systat Software, Inc., San Jose, Calif., USA).
7105	2	Isothermal Titration Calorimetry Assays	Titrations were performed using a VP-ITC or ITC200 calorimeter from Microcal (Northampton, Mass.). BCL-XL was used at concentrations between 25 and 100 &#956;M in 20 mM sodium phosphate buffer (pH 7.4) and 5-10% DMSO. Titrants were used at concentrations 10-15× of the protein in the same buffer. Titrations were carried out at 25° C. Data were analyzed using Microcal Origin software provided by the ITC manufacturer (Microcal, Northampton, Mass.).
7106	1	Biochemical Assay	In one assay the biochemical activity IC50 values are determined with respect to inhibition of Fms kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested, dissolved in DMSO (1 uL), are added to a white 384-well plate (Costar #3705). Working stocks of Fms kinase (Invitrogen #PV3249), biotin-(E4Y)10 substrate (Upstate Biotech, Cat#12-440), and ATP (Sigma, Cat#A-3377) are prepared in 25 mM Hepes pH 7.5, 0.5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, 0.01% BSA, and 0.01% Tween-20. All components are added to the 384-well plate for a final concentration of 1 ng/well Fms, 30 nM biotin-(E4Y)10 (Upstate Biotechnology) and 100 uM ATP in a volume of 20 uL. Each sample is at 5% DMSO. The plate is then incubated for 20 minutes at 30 C. Just before use, working stocks of donor and acceptor beads from the AlphaScreen PY20 Detection Kit (PerkinElmer, Cat#676601M) are prepared in 25 mM Hepes pH 7.5.
7106	2	Biochemical Assay	In one assay the biochemical activity IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested are dissolved in DMSO to a concentration of 20 mM. These are diluted 30 uL into 120 uL of DMSO (4 mM) and 1 uL is added to an assay plate. These are then serially diluted 1:2 (50 uL to 100 uL DMSO) for a total of 8 points. Plates are prepared such that each kinase reaction is 20 uL in 1x kinase buffer (25 mM HEPES, pH 7.5, 2 mM MgCl2, 2 mM MnCl2, 0.01% Tween-20, 1 mM DTT, 0.01% BSA), 5% DMSO and 100 uM ATP. Substrate is 30 nM biotin-(E4Y)10 (Millipore). C-kit kinase (obtained from Millipore (#14-559) or is prepared as described in U.S. Patent Application Publication Number 2009/0076046, the disclosure of which is hereby incorporated by reference as it relates to this assay) is at 0.75 ng per sample.
7106	3	Biochemical Assay	In one assay the biochemical activity IC50 values are determined with respect to inhibition of Flt-3 kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested, dissolved in DMSO (1 uL), are added to a white 384-well plate (Costar #3705). Working stocks of Flt-3 kinase (Invitrogen), biotin-(E4Y)10 substrate (Upstate Biotech, Cat#12-440), and ATP (Sigma, Cat#A-3377) are prepared in 25 mM Hepes pH 7.5, 5 mM MgCl2, 5 mM MnCl2, 1 mM DTT, and 0.01% Tween-20. All components are added to the 384-well plate for a final concentration of 1 ng/well Flt-3, 30 nM biotin-(E4Y)10 and 100 uM ATP in a volume of 20 uL. Each sample is at 5% DMSO. The plate is then incubated for 1 hour at room temperature. Just before use, working stocks of donor and acceptor beads from the AlphaScreen PY20 Detection Kit (PerkinElmer, Cat#676601M) are prepared in 25 mM Hepes pH 7.5, pH 7.4, 100 mM EDTA.
7106	4	Inhibition Enzyme Assay	CYP (Cytochrome P450) enzymes are the major drug metabolizing enzymes present in the liver. The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, where inhibition of metabolism of a known substrate leads to a decrease in the fluorescence of the metabolized product. The fluorescence of the product is monitored as a function of compound concentration.Compounds are dissolved in DMSO to a concentration of 100 mM. These are diluted 1 uL into 82 uL of acetonitrile. An 11 uL aliquot of this solution is then added to 204 uL of cofactor mix (1.3% NADPH Regeneration system Solution A, 1.04% NADPH Regeneration system Solution B from BD Biosciences, 5% acetonitrile and 0.05% DMSO). These are then serially diluted 1:1 (160 uL to 160 uL co-factor mix) for a total of 10 points. A 10 uL aliquot of this final mixture is dispensed into 384 well assay plates.
50047381	47	ChEMBL_1572907 (CHEMBL3801230)	Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assay
50047381	48	ChEMBL_1572911 (CHEMBL3801234)	Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assay
7108	1	Protease Assay	The HCV protease assay herein was applied to investigate the HCV-protease inhibitory activity of the prepared compounds as described above. The method of the HCV protease assay was described in D. T. Phuong, C. M. Ma, M. Hattori and J. S. J in: Inhibitory Effects of Antrodins A-E from Antrodia cinnamomea and Their Metabolites on Hepatitis C Virus Protease. Phytotherapy Research, 23, 582-584, 2009. Two micro liters of a compound solution (using DMSO as solvent) was placed in 384 well micro plate, then 8 ul of HCV NS3/4A protease (0.5 g/mL) was added to the well containing a sample and the plate was agitated. Finally, 10 uL of freshly prepared substrate (Ac-Asp-Glu-Dap(QXL 520)-Glu-Glu-Abu-COO-Ala-Ser-Cys(5-FAMsp)-NH2) (100 dilution of a DMSO stock solution) was added with sequential rotational shaking. The reaction mixture was incubated for 30 min at 37 C.  The fluorimetric analyses were performed on an automated TECAN GENios plate reader with excitation wavelength at 485 nm.
7109	1	HIF-PH Assay	Ketoglutaric acid alpha -[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide were obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay were fragments of HIFalpha as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. For example, a HIF peptide for use in the HIF-PH assay was [methoxycoumarin]-DLDLEALAPYIPADDDFQL-amide. HIF-PH, e.g., HIF-PH2 (also known as EGLN1 or PHD2), was expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity was determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contained 50 mM HEPES (pH 7.4), 100 uM alpha -ketoglutaric acid sodium salt, 0.30 uCi/mL alpha -ketoglutaric acid alpha -[1-14C]-sodium.
8354	1	Inhibition Assay	Inhibition of various kinase enzyme.
7111	1	Enzyme Assay	The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to have a signal equivalent to 6 times the background noise over 2 h at 37° C. The reaction takes place in a buffered medium: Tris 50 mM, 4% of glycerol, pH 7.4. The fluorescent substrate is MCA-Pro-Leu-Ala-Val-(Dpa)-Arg-Ser-Ser-Arg-NH2 (R&D system reference: ES003). The substrate is cleaved by the enzyme between alanine and valine thus releasing a fluorescent peptide (excitation: 320 nm, emission: 420 nm). The substrate is used at 40 &#956;M. The reaction is carried out in a final volume of 10 &#956;l (4 &#956;l inhibitor, 4 &#956;l substrate, 2 &#956;l enzyme) in a plate of 384 low-volume wells (Corning reference: 3676). The plate is incubated for 2 h at ambient temperature, then read in fluorescence mode using a Pherastar (BMG labtech).
7111	2	Enzyme Assay	The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that described for the TACE enzyme in example 28 but with different substrates (MMP R&D system reference: P126-990 and ADAM R&D system reference: ES003).
7112	2	Reductase Activity Assay	The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 &#956;g total cell lysates from A549 cells. Lovastatin was used as a positive control, and SAHA as a negative control. HMGR activity under defined assay conditions, containing NADPH and HMG-CoA substrate in a final volume of 0.2 mL of 100 mM potassium phosphatate buffer (120 mM KCI, 1 mM EDTA, 5 mM DTT, pH 7.4), were initiated in the presence or absence (control) of test compounds dissolved in dimethylsulfoxide (DMSO). The rates of NADPH consumption were monitored every 20 seconds, for up to 10 minutes, by spectrophotometer at 37° C. and 340 nm. 
7112	1	Fluorescent Activity Assay	The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer&#39;s instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU).
7113	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, IX Pen/Strep, IX sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #1 1039), 10%FBS, IX Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C), the supernatant was aspirated and the pellets frozen and stored at -80C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL.
7113	2	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession numberNM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022) , 10%FBS, IX Pen/Strep, IX NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 °C), the supernatant was aspirated and the pellets frozen and stored at -80 °C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity = 29.6 Ci/mmol).
7114	1	In Vitro Inhibition Assay	The inhibitory activity of the compounds of the invention was demonstrated in vitro by measuring the inhibition of recombinant human Cathepsin S as follows: To a 384 well microtitre plate is added 10 &#956;l of a 100 &#956;M solution of test compound in assay buffer (100 mM sodium acetate pH5.5, 5 mM EDTA, 5 mM dithiothreitol) with 10% dimethylsulfoxide (DMSO), plus 20 &#956;l of 250 &#956;M solution of the substrate Z-Val-Val-Arg-AMC (7-amido-coumarine derivative of the tripeptide N-benzyloxy-carbonyl-Val-Val-Arg-OH) in assay buffer and 45 &#956;l of assay buffer. 25 &#956;l of a 2 mg/l solution of activated recombinant human cathepsin S, in assay buffer, is then added to the well, yielding a final inhibitor concentration of 10 &#956;M.Enzyme activity is determined by measuring the fluorescence of the liberated aminomethylcoumarin at 440 nM using 390 nM excitation, at 20 minutes.
8369	1	Functional Assay	HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRPV1/HEK293). hTRPV1/HEK293 cells were routinely grown as monolayers under selection in zeocin (200 &mu;g/mL; Invitrogen) in Dulbecco's Modified Eagle Medium (DMEM, Gibco BRL) supplemented with 10% fetal bovine serum, and penicillin/streptomycin (50 units/mL) in 5% CO2 at 37&deg; C. Cells were passaged frequently, every 3-5 days, to avoid overgrowth, depletion of essential medium components, or acidic medium exposure. Cells were passaged using a brief wash in 0.05% trypsin with 1 mM EDTA, followed by dissociation in divalent-free phosphate-buffered saline (Hyclone #SH30028.02). Dissociated cells were seeded onto poly-D-lysine coated black-walled 96-well plates (Biocoat; Becton Dickinson #354640) at about 40,000 cells per well and grown for approximately 1 day in culture medium to near confluency. The assay buffer was composed of 130 mM NaCl, 2 mM KCl, 2 mM MgCl2, 10 mM HEPES, 5 mM glucose, and either 2 mM or 20 &mu;M CaCl2. On the day of the experiment, the culture medium was replaced with 2 mM calcium assay buffer using an automated plate washer (ELx405; Biotek, VT). The cells were incubated in 100 &mu;L/well Fluo-3/AM (2 &mu;M; TEFLabs #0116) with Pluronic F127 (100 &mu;g/mL; Sigma #P2443) for 1 h at rt in the dark. After loading the cells, the dye solution was replaced with 50 &mu;L/well of 20 &mu;M calcium assay buffer using the ELx405 plate washer. Test compounds (50 &mu;L/well) were added to the plate and incubated for 30 min. Intracellular Ca2+ levels were subsequently assayed using a Fluorometric Imaging Plate Reader (FLIPR&trade; instrument, Molecular Devices, CA) to simultaneously monitor Fluo-3 fluorescence in all wells (&lambda;excitation=488 nm, &lambda;emission=540 nm) during challenge with agonist (capsaicin). The IC50 values were determined. Cells were challenged with 150 nM capsaicin and the fluorescence counts were captured following agonist addition at a sampling rate of 0.33 Hz. The contents of the wells were mixed 3 times (40 &mu;L mix volume) immediately after the additions were made. Concentration dependence of block was determined by exposing each well of cells in duplicate rows of a 96 well plate to a serial dilution of test compound. The concentration series usually started at 10 M with a three-fold serial decrement in concentration. The magnitude of the capsaicin response was determined by measuring the change in fluo3 fluorescence before and 100 seconds after the addition of the agonist.
8370	2	Transient Replicon Assay	In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expression construct. This construct comprises a firefly luciferase reporter gene preceding the NS3-NS5B subgenomic region of HCV (genotype 1a H77 or 1b Con1). Translation of the HCV subgenomic region is mediated by an internal ribosome entry site of encephalomyocarditis virus. The construct is furthermore flanked by 5' and 3' untranslated regions of HCV (genotype 1a H77 or 1b Con 1, respectively), which allow for replication of the RNA. In addition to the wild-type constructs, site-directed mutations were introduced into the transient HCV genotype 1b replicon in the gene encoding for the non-structural protein 5A (NS5A). More precisely, amino acid residues 28, 30, 31 and 93 in NS5A were independently altered. Cells were plated in 384 well plates in the presence of test and control compounds, which were added in various concentrations. Following an incubation of two days, replication of the HCV subgenomic replicon RNA was measured by assaying luciferase activity (using standard luciferase assay substrates and reagents and a Perkin Elmer ViewLux&trade; ultraHTS microplate imager). HCV subgenomic replicon containing cells in the control cultures have high luciferase expression in the absence of any inhibitor. The inhibitory activity of the compound was monitored, enabling a dose-response curve for each test compound.
7116	1	Inhibition Assay	Xanthine oxidase (from bovine milk, Sigma) was prepared with phosphate-buffered saline (PBS) at 0.02 units/mL, and then the solution was added to 96 well plates at 50 &#956;L/well. In addition, test compounds diluted with PBS were added at 50 &#956;L/well. Xanthine (manufactured by Wako pure chemical) at 200 &#956;M prepared with PBS was added at 100 &#956;L/well, and the reaction was conducted for 10 minutes at room temperature. Absorbance at 290 nm was measured by using a microplate reader SpectraMax Plus 384 (manufactured by Molecular device). 
7107	1	Inhibition Assay	Human recombinant adrenergic &#946;1 receptors expressed in CHO-K1 cells are used in modified Tris-HCl buffer pH 7.4. A 25 aliquot is incubated with 0.03 nM [125I]Cyanopindolol for 120 minutes at 25° C. Non-specific binding is estimated in the presence of 100 &#956;M S(&#8722;)-Propranolol. Receptors are filtered and washed, the filters are then counted to determine [125I]Cyanopindolol specifically bound. Compounds are screened at 10 &#956;M. 
7107	2	Inhibition Assay	Human recombinant adrenergic &#946;2 receptors expressed in CHO cells are used in modified Tris-HCl buffer pH 7.4. A 50 aliquot is incubated with 0.2 nM [3H]CGP-12177 for 60 minutes at 25° C. Non-specific binding is estimated in the presence of 10 &#956;M ICI-118551. Receptors are filtered and washed, the filters are then counted to determine [3H]CGP-12177 specifically bound. Compounds are screened at 10 &#956;M. 
7110	1	IMAP Assay	The ability of compounds to inhibit activated phospho-p38alpha is evaluated using a p38alpha /MK2 and a p38alpha /PRAK cascade assay format. The kinase activity of p38alpha is determined by its ability to phosphorylate GST-MK2 or GST-PRAK. Activation of MK2 or PRAK by p38alpha is quantitated by measuring the phosphorylation of a fluorescently-labeled, MK2/PRAK specific peptide substrate, Hsp27 peptide (FITC-KKKALSRQLSVAA). The phosphorylation of the Hsp27 peptide is quantified using IMAP technology (Molecular Devices, Sunnyvale Calif.). Kinase reactions are carried out in a 384-well plate (Greiner, 781280) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.01% Triton X-100, 0.01% BSA, 1 mM DTT, and 2% DMSO. The inhibitor concentration is varied between 0.02-30,000 nM, while the Hsp27 peptide substrate and MgATP are held constant at 1 uM and 10 uM, respectively. Activated p38alpha is added to a final concentration of 30 uM for reactions with nonphosphorylated 1 nM GST-MK2.
7117	1	Tyrosinase Activity	The reaction mixture contained 50 mM phosphate buffer, pH 6.8, 0.05% L-DOPA and the supernatant (tyrosinase). After incubation in the absence or presence of various stilbene derivatives (with varying concentrations ranging from 1 µg/mL to 100 µg/mL) at 37 °C for 20 min, dopachrome was monitored by measuring absorbanceat wavelength 492 nm by using a Molecular Devices microplate reader.
7118	1	In vitro Cyclooxygenase Inhibition Assay	The ability of the tested compounds to inhibit both COX-1 and COX-2 isozymes was measured using colorimetric COX (ovine) Inhibitor Screening Assay Kit (Kit catalog number 760111, Cayman Chemical, Ann Arbor, MI, USA) following the manufacturer&#39;s instructions and as mentioned before. Different concentrationsof celecoxib or tested compounds were incubated with the enzymes for a period of 5 min at 25 °C. After the incubation period an addition of the colorimetric substrate and arachidonic acid was done then the absorbance was measured at 590 nm using plate reader.
7119	1	Acetylcholinesterase Assay	The AChE inhibition activity was determined according to the Ellman&#39;s method with slight modifications. Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. Ten µL test compound (0.5 mM well-1) was added, followed by the addition of 10 µL (0.005 unit well-1) enzyme. The contents were mixed and preread at 405 nm. Then contents were pre-incubated for 10 min at 37 °C. The reaction was initiated by the addition of 10 µL of 0.5 mM well-1 substrate (acetylthiocholine iodide), followed by the addition of 10 µL DTNB (0.5 mM well-1). After 30 min of incubation at 37 °C, absorbance was measured at 405 nm. Synergy HT (BioTek, USA) 96-well plate reader was used in all experiments. All experiments were carried out with their respective controls in triplicate.
7119	2	Butyrylcholinesterase Assay	The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman&#39;s method with minor modifications. Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1, followed by the addition of 10 µL (0.5 unit well-1)BChE. The contents were mixed and pre-read at 405 nm and then pre-incubated for 10 min at 37 °C. The reaction was initiated by the addition of 10 µL of 0.5 mM well-1 substrate (butyrylthiocholine bromide) followed by the addition of 10 µL DTNB, 0.5 mM well-1. After 30 min of incubation at 37 °C, absorbance was measured at 405 nm. Synergy HT (BioTek, USA) 96-well plate reader was used in all experiments. All experiments were carried out with their respective controls in triplicate.
7120	1	Baker&#39;s Yeast &#945;-Glucosidase Inhibition Assay	The enzyme inhibition was evaluated according to the method previously reported by Rahim et al. [25] with slight modification. Various concentration of test compounds (10 µL) were dissolved in DMSO (ranging from 200 to 6.25 µg/mL) and premixed with 95 µL of 50 mM phosphate buffer (pH 6.8). Then, 25 µL of enzyme(0.0625 U/mL) in phosphate buffer saline was added into each well and the plate was incubated at 37 °C for 10 min. Afterward, 25 µl of PNPG in phosphate buffer saline (5 mM) were added and pre-read of the plate was taken by using a microplate reader (Spectrostar Nano BMG Labtech, Germany). The reaction mixture was then incubated at 37 °C for 30 min and change in absorbance at 405 nm was monitored up to 30 min. For negative control, the test samples were replaced with 10 µL of DMSO and acarbose was used as positive control
7121	1	In-vitro HIV-1 RT Screening	The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was incubated at 37 °C for 1 h and then transferred to streptavidine-coated microtitre plate (MTP). The biotin-labeled dNTPs that were incorporated in the template due to activity of RT, bound to streptavidine. The unbound dNTPs were washed using wash buffer and anti-DIG-POD was added to the MTP. The DIG-labeled dNTPs incorporated in the template were bound to an anti-DIG-POD antibody. The unbound anti-DIG-POD was washed again with washing buffer and the peroxide substrate (ABST) was added to the MTP. A colored reaction product was produced during the cleavage of the substrate catalyzed by a peroxide enzyme. The absorbance of the sample was determined as an optical density (OD) at 405 nm using a micro titer plate ELISA reader.
7122	1	AO Enzyme Assay	Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were carried out at 25 °C using a PClinked perkin Elemer Lambda 25 UV/Vis spectrophotometer. The varying substrate concentrations (4-60 µM) were separately added into Sorenson&#39;s phosphate buffer (final concentration of 50 mM, pH 7.0) containing 0.1 mM of EDTA. Then, the reaction was started by addition of the enzyme and monitored for up to 2 min. The enzyme was also assayed in the presence of different concentrations of the compounds as potential inhibitors (1-200 µM) and constant concentration of substrate (40 µM) to calculation of IC50 values. The results were compared with the inhibitory effects of 1-100 µM menadione, a specific AO inhibitor. Before enzymatic reaction, all of the solutions were equilibrated at 25 °C, except the enzyme fraction which was kept on ice bath prior to addition to the incubation solution. All compounds were dis
7123	1	Urease Inhibition Assay	Reaction mixture consisting of 25 µL of Jack bean (Canavalia ensiformis) urease (1 unit/well), 55 µL of 100 mM urea dissolved in phosphate buffer (4 mM concentration of 6.80 pH, and 5 µL of various concentrations of test compound (from 0.5 to 0.00625 mM) were incubated at 30 °C for 15 min in 96-well plates.In kinetic experiments, various concentrations of both substrate and test compounds were used. Subsequently 45 µL phenol reagents (1% w/v phenol and 0.005% w/v sodium nitroprusside), and 70 µL of alkali reagent (0.5% w/v NaOH and 0.1% w/v NaOCl) were added to each well. Urease activity was measured through Weatherburn indophenols method by the production of ammonia [21]. After 50 min duration, the increasing absorbance at 630 nm was measured in a microplate reader (SpectraMax M2, Molecular Devices, CA, USA). All reactions were performed in triplicate in a final volume of 200 lL. Thiourea was used as the standard inhibitor of urease [15].
7124	1	Radioligand Binding Assay	Dissociation constants at A1, A2A and A3 receptors (Ki-values) were determined in radioligand competition experiments as reported earlier [19,20]. All binding experiments were done in a microplate format utilizing a 96-well microplate filtration system (Millipore Multiscreen MAFC). As radioligands the agonists [3H]CCPA (1 nM) for A1, [3H]NECA (10 nM) for A2A, and [3H]HEMADO (1 nM) for A3 receptors were used. Samples were incubated with 10 µg of membrane protein for 3 h at 25 °C, filtered through the built-in filter at the bottom of the wells and washed three times with 200 ml of ice-cold binding buffer. After addition of 20 µl of scintillator to the dried filter plates samples were counted in a Wallac Micro-Beta counter. Nonspecific binding was determined in the presence of 1 mM theophylline ([3H]CCPA) or 100 mM R-PIA (N6-phenylisopropyladenosine; [3H]NECA and [3H] HEMADO).
7125	1	AChE and BChE Inhibition Activity	Inhibitory activities of AChE and BChE were evaluated by using the Ellman&#39;s method [34]. Herein compounds 2(a-h) and 5(a-h) were evaluated as inhibitors of AChE and BChE. For initial screening each compound was dissolved in DMSO (end concentration of DMSO was less than 1% in assay) and tested at a final concentration of 0.5 mM. The compounds with considerable inhibition (more than 50%) were subjected to further analysis by making their 8 to 10 serial dilutions in assay buffer (50 mM Tris-HCl, 0.1 M NaCl and 0.02 M MgCl2, pH 8.0). Reaction mixture comprised of 20 µL assay buffer, 10 µL of test compound, 10 µL of 0.031 U/mL of enzyme (0.5 and 3.4 U/mg of AChE or BuChE respectively). This mixture was incubated at 25 °C for 10 min. After this preincubation, enzymatic reaction was started by addition of 10 µL of 1 mM acetylethiocholine iodide or butyrylthiocholine chloride (depending on the enzyme) and the mixture was incubated again for 15 min. The amount of enzymatic product was esti
7128	1	Enzyme Assay	To 2.5 &#956;l of supernatant (in 96-well plates) was added 17.5 &#956;l reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 &#956;l of 4-methyl umbelliferone (4-MU)-labeled substrate, &#946;-glucopyranoside, or a labeled negative controls (&#945;-glucopyranoside or &#945;-galacatopyranoside). Plates were incubated at 37° for 1 hour, followed by the addition of 70 &#956;l stop buffer (0.4 M glycine-NaOH, pH 10.6). Activity of GCase was determined by measuring the emission at 460 nm by exciting at 355 nm using a 1 second read time per well (Victor2 multilabel counter-Wallac) Enzyme activity was normalized to the amount in &#956;l of lysate added, and enzyme activity per &#956;l of lysate was estimated. 
7129	1	Fluorometric Plate Assay	To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal inhibitory concentration (IC50) of these compounds on recombinant active human PAI-1 in vitro. An IC50 is a measure of the effectiveness of a compound in inhibiting biological or biochemical function. Stated another way, IC50 represents the concentration of a drug that is required for 50% inhibition in vitro. The IC50 of various compounds was measured using a fluorometric plate assay as set out below, and the results are shown in Table 3.Recombinant active human PAI-1 (Molecular Innovations) (final 1 nM) was incubated for 15 min at 23 C. with increasing concentrations of each compound in 100 mM NaCl, 40 mM HEPES, 0.005% Tween-20, 10% DMSO, pH 7.8. Alternately, the assay has been carried out using low concentrations of DMSO (about 0.1% DMSO or less) in the buffer. In various aspects, the invention does not require a solvent, like DMSO.
7129	2	Surface Plasmon Resonance (SPR) Assay	To establish binding constants for the compounds/drugs to PAI-1, an indirect approach using surface plasmon resonance (SPR) was employed. Varying concentrations of each compound were preincubated with PAI-1 in solution and then passed over immobilized anhydrotrypsin (Molecular Innovations) using a Biacore 2000 optical biosensor, and the loss of PAI-1 binding to anhydrotrypsin was quantified. Bovine anhydrotrypsin was immobilized to CM5 SPR chips at the levels of ~2000 response unit (RU) in 10 mM sodium acetate, pH 5.0. The reference flow cell surface was left blank to serve as a control. Remaining binding sites were blocked by 1 M ethanolamine, pH 8.5. All binding reactions were carried out in assay buffer. PAI-1 at 2 nM was first incubated with the indicated concentrations of inhibitor in running buffer for at least 15 min at 23 C.The slope of the association phase of PAI-1 binding to an immobilized ligand (e.g., vitronectin or anhydrotrypsin) has been shown to have a linear relationship.
8423	4	Inhibition Assays	Inhibition of CYP isozymes was determined using a mixture of probe substrates. The samples were incubated for 10 minutes followed by protein precipitation with methanol. The substrate metabolites in each sample were measured by LC/MS/MS using reverse-phase liquid chromatography and positive ion mode ESI with multiple reaction monitoring (MRM).
8458	1	qHTS Assay	Assay details and protocol: The primary assay monitored ATP depletion using Promega&#39;s KinaseGlo technology, where ATP levels are measured through luminescence generated from firefly luciferase, a bioluminescent ATP-dependent enzymes. ATP was held at 35 &#956;M, near its reported KM value, and the KM for galactose was determined under the 1536-well assay conditions to be 50-100M (FIG. 1A). As well, the IC50 for a commercially available CD45 inhibitor (N-(9,10-dioxo-9,10-dihydrophenanthren-2-yl)pivalamide) was confirmed (previously found to inhibit GALK (FIG. 1B)). This was used as the positive control for the assay. The assay used 5 nM GALK and a 1 hr incubation time, which gave sufficient signal:background and stability for the HTS. 
8506	1	Fluorescence-Based (Inhibitor)-Screening Assay	In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropanamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAO-A and MAO-B activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 uL. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in duplicate within the same experiment.Briefly, a fixed amount of MAO (0.25 ug for MAO-A and 0.5 ug for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of at least eight 3-fold serial dilutions each. Clorgyline and Deprenyl (Sigma Aldrich) was used as a control for specific inhibition of MAO-A and MAO-B respectively. After leaving the enzyme(s) interacting with the inhibitor, KM of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37&deg; C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 uL of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor. The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes. The IC50 values of each inhibitor were calculated with GraphPad Prism Software.
8506	2	Biological Assay	The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be tested as follows. Human recombinant LSD1 protein was purchased from BPS Bioscience Inc (catalog reference number 50100: human recombinant LSD1, GenBank accession no. NM_015013, amino acids 158-end with N-terminal GST tag, MW: 103 kDa). In order to monitor LSD1 enzymatic activity and/or its inhibition rate by our inhibitor(s) of interest, di-methylated H3-K4 peptide (Anaspec) was chosen as a substrate. The demethylase activity was estimated, under aerobic conditions, by measuring the release of H2O2 produced during the catalytic process, using the Amplex Red hydrogen peroxide/peroxidase assay kit (Invitrogen).Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective inhibitor (e.g., from 0 to 75 uM, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37&deg; C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 uM H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor. The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The IC50 value of each inhibitor was calculated with GraphPad Prism Software.
8535	1	Biological Assay	The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be tested as follows. Human recombinant LSD1 protein was purchased from BPS Bioscience Inc (catalog reference number 50100: human recombinant LSD1, GenBank accession no. NM_015013, amino acids 158-end with N-terminal GST tag, MW: 103 kDa). In order to monitor LSD1 enzymatic activity and/or its inhibition rate by our inhibitor(s) of interest, di-methylated H3-K4 peptide (Anaspec) was chosen as a substrate. The demethylase activity was estimated, under aerobic conditions, by measuring the release of H2O2 produced during the catalytic process, using the Amplex Red hydrogen peroxide/peroxidase assay kit (Invitrogen).Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective test compound (e.g., from 0 to 75 uM, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37&deg; C. In the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 uM H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor. The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The IC50 value of each inhibitor was calculated with GraphPad Prism Software.
8550	1	Electrophysiological Assay	Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The operation was conducted in accordance with the operating procedure of the system. A Dulbecco's phosphate buffer containing calcium and magnesium (Sigma) was used as an extracellular fluid, and a low Cl-buffer (100 mM K-gluconate, 40 mM KCl, 3.2 mM MgCl2, 5 mM EGTA, 5 mM Hepes, pH 7.3) was used as an intracellular fluid. A test compound was dissolved in dimethylsulfoxide (DMSO) to prepare a 30 mM stock solution, so as to produce 4-fold serial dilutions with the extracellular fluid for attaining a DMSO concentration of 0.3% in measurement.The hNav 1.7/&beta;1/&beta;2 cells cultured to a 70-80% confluent state in a T150 flask (Sumilon) were washed with PBS and subsequently with versene (Invitrogen Corp.), and collected by allowing to react with 0.05% trypsin (Invitrogen Corp.) at 37&deg; C. for 3 minutes. After washing with a culture medium, the resultant cells were suspended in an extracellular fluid at a concentration of 2x10-6 cells/ml so as to be used for the measurement. The cell membrane was perforated by using an intracellular fluid including 100 ug/ml amphotericin B (Sigma). Current response was obtained at a sampling frequency of 10 kHz. Leakage current correction was performed by applying a step pulse of -110 mV before a test pulse. The membrane potential was fixed at -100 mV for 5 seconds immediately before applying the test pulse. In order to check the state-dependency of the inhibiting activity of a test compound, the test pulse was applied as follows: After applying a depolarization pulse of -10 mV for 5 msec., the potential was fixed at -100 mV for 200 msec., a potential (V1/2) at which approximately 50% of channels are inactivated was held for 2 seconds, and a depolarization pulse of -10 mV was applied for 50 msec. Such a test pulse was applied before adding the test compound and after cultivation of 5 minutes and 30 seconds with a solution of the test compound gradually added by 3.5 ul at each time. Since IonWorks Quattro has a measuring electrode head (E-head) and an agent supplying head (F-head) separated from each other, the membrane potential was not clamped during the addition and the cultivation of the test compound.
8560	2	Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x10^9 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (Ethylenediaminetetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80 ° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA (bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
8560	1	[35S] GTPgammaS Binding Assays	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S] GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60&deg; C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well for counting on the Packard TOPCOUNT. EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested.
8560	3	hS1P1ERK Phosphorylation Assay	hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced with serum-free medium (Ham's F-12 Invitrogen) and incubated for 2 hours. Test compounds pre-diluted in HBSS (Gibco)/20 mM HEPES (Gibco) were transferred to the cell plates and incubated for 7 minutes at 37&deg; C. Cells were lysed in lysis buffer (Perkin Elmer) and phospho-ERK was measured using the SureFire pERK kit (Perkin Elmer) as described by the manufacturer. Data was plotted as percentage activation of the test compound relative to the efficacy of 10 uM S1P. The EC50 is defined as the concentration of test compound which produces 50% of the maximal response and was quantified using the 4 parameter logistic equation to fit the data.
7132	1	FLIPR or FLIPRTETRA Sodium Dye with KCl Assay	Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alpha subunit, alone or in combination with various beta and gamma subunits at a density of 40,000 cells/well into a 96-well black, clear-bottom, PDL-coated plate. The assay can be adapted to 384-well or 1,536-well format, if desired, using proportionately less cells and media. The plate was then incubated in growth media, with or without selective antibiotic, overnight at 37 C. at 5% CO2, 95% humidity, in preparation for the assay. For counter-screens of other voltage-gated sodium channels, the procedure was very similar, though optimal densities of cells, media and subsequent assay components can be fine-tuned for the particular cell line or isoform.The next day, at the start of the assay, the media was flicked from the cells and the wells were washed once with 50 ul/well assay buffer.
7133	1	FLIPR Assay	The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the following assay. In this assay, the influx of Ca2+ through the receptor channel is quantified with the aid of a Ca2+-sensitive dye (type Fluo-4, Molecular Probes Europe BV, Leiden, the Netherlands) in a fluorescent imaging plate reader (FLIPR, Molecular Devices, Sunnyvale, USA).Method:Complete medium: 50 ml HAMS F12 nutrient mixture (Gibco Invitrogen GmbH, Karlsruhe, Germany) with10% by volume of FCS (foetal calf serum, Gibco Invitrogen GmbH, Karlsruhe, Germany, heat-inactivated);2 mM L-glutamine (Sigma, Munich, Germany);1% by weight of AA solution (antibiotic/antimyotic solution, PAA, Pasching, Austria) and 25 ng/ml NGF medium (2.5 S, Gibco Invitrogen GmbH, Karlsruhe, Germany).
7133	2	FLIPR Assay	The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assay. In this assay, the influx of Ca2+ through the channel is quantified with the aid of a Ca2+-sensitive dye (type Fluo-4, Molecular Probes Europe BV, Leiden, the Netherlands) in a fluorescent imaging plate reader (FLIPR, Molecular Devices, Sunnyvale, USA).Method:Chinese hamster ovary cells (CHO K1 cells, European Collection of Cell Cultures (ECACC) United Kingdom) are stably transfected with the VR1 gene. For functional testing, these cells are plated out on poly-D-lysine-coated black 96-well plates having a clear base (BD Biosciences, Heidelberg, Germany) at a density of 25,000 cells/well. The cells are incubated overnight at 37 C. and 5% CO2 in a culture medium (Ham's F12 nutrient mixture, 10% by volume of FCS (foetal calf serum), 18 ug/ml of L-proline). The next day the cells are incubated with Fluo-4.
7134	1	Alpha Screen Assay	A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2) SEQ ID NO: 1). FAK enzyme was expressed in insect cells as catalytic domain (amino acids 411-686) N-terminally tagged with six histidine amino acids and a Tobacco Etch Virus (TeV) cleavage sequence. After lysing the cells by sonication, the kinase was purified by Ni-Immobilised Metal Affinity Chromatography, TeV cleavage leaving a N-terminal glycine, and gel filtration. The 15 ul assay reactions are run in Greiner brand white 384-well low volume plates. All reactions contained 10 mM HEPES pH 7.4, 25 mM NaCI, 10 mM MgCl2, 0.01% (v/v) Tween-20, 50 uM Na3V04, 0.01% (w/v) albumin from chicken egg white, 111 nM peptide substrate, 80 pM ATP, and 4 ng/reaction FAK enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nl from dilution series made up in DMSO.
7134	3	Biochemical Assay	Compounds of the invention may be tested for in vitro activity in the following assay: A biotin labeled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu -Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2) (SEQ ID NO: 1). VEGFR3 cytoplasmic domain (amino acids 798-1298) was purchased as N-terminal GST-fusion protein (the enzyme). The 15ul assay reactions are run in Greiner brand white 384-well low volume plates. All reactions contained 10 mM HEPES pH 7.4, 10mM MgCl2, 0.01% (v/v) Tween-20, 50uM Na3VO4, 0.01% (w/v) albumin from chicken egg white, 1mM Dithiothreitol, 111 nM peptide substrate, 500uM ATP, and 3.8ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100nl from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 90 minutes at 30 degree C.
7134	2	Biacore SPR Assay	In running buffer (0.01 M HEPES pH 7.4, 0.15 M NaCl, 0.005% Surfactant P20, mM MgCl2, and 1% DMSO)N-terminally GST-fused purified FAK enzyme was captured on both spot 1 and 2. Spot 1 was subsequently blocked by loading with 30 nM PF-562,271 at the beginning of each cycle. Concentration series&#39; of the test compounds were injected over the spots at 25° C.
7126	1	Binding Assay	Affinity binding tests were performed according to the experimental conditions described by M. Rinaldi-Carmona in J. Pharmacol. Exp. Therap. 1998, 287, 644-650, with membranes derived either from rodent tissues or from recombinant cell lines in which the human CB2 receptors were expressed (Munro et al., Nature 1993, 365, 61-65). The affinity of the compounds is expressed in the form of the IC50 (concentration causing 50% inhibition of specific binding of the tritiated ligand used in vitro).
7127	1	Fluorescence Quenching Assay	CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS (site 1) and FRS (site 5) regions, whereas predicted docking sites are labeled sites 2-4 (Table 6). One compound, 76, that targets the DRS is being marketed by Calbiochem/EMD Biosciences (Cat#328006) as an ERK inhibitor. Successful inhibitor identification to date has been based on a combination of fluorescence quenching (FQ) of ERK2 wild type and docking site mutants in the presence of test compound.
7130	1	Inhibition Assay	Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyviny alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37 C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction.
7135	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	n vitro inhibition of 11&#946;-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes. Briefly, compounds are incubated for 1 hour at 37° C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (200 &#956;M) and cortisone (80 nM). Cortisol generated in the reaction is then detected with a competitive immunoassay, involving two HTRF conjugates: cortisol linked to XL665 and anti-cortisol antibody labeled with Europium cryptate. The incubation period for detection reaction is typically 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). 
7136	1	Binding Assay	5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in HEK293 cells and radioisotope [3H]Imipramine (PerkinElmer).That is, the test drug, 2 nM [3H]Imipramine, serotonin transporter membrane (9 ug/well), 120 mM NaCl and 50 mM Tris-HCl buffer (pH 7.4) containing 5 mM KCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 30 minutes at 27° C., the mixture was quickly passed through a Filtermat A glass fiber filter (PerkinElmer) pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 154 mM NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac).
7136	2	Binding Assay	NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepinephrine transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in MDCK cells and radioisotope [3H]Nisoxetine (PerkinElmer).That is, the test drug, 6 nM [3H]Nisoxetine, norepinephrine transporter membrane (11 ug/well), 120 mM NaCl and 50 mM Tris-HCl buffer (pH 7.4) containing 5 mM KCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 60 minutes at 4° C., the mixture was quickly passed through a Filtermat A glass fiber filter pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 0.9% NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac).
7136	3	Binding Assay	DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in CHO-K1 cells and radioisotope [3H]WIN35,428 (PerkinElmer).That is, the test drug, 8 nM [3H]WIN35,428, dopamine transporter membrane (23 ug/well), and 50 mM Tris-HCl buffer (pH 7.4) containing 100 mM NaCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 120 minutes at 4° C., the mixture was quickly passed through a Filtermat A glass fiber filter pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 0.9% NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac).
7138	1	AlphaScreen Competitive Assay	The HSP90-binding activity was measured by an AlphaScreen competitive assay system. The purified HSP90 solution was diluted with a binding buffer (50 mM Tris-HCl (pH 7.5), 150 mM NaCl, 0.1% Triton-X100, 1 mM DTT, 0.1% BSA) and added to a 384-well plate (No. 3673, Corning Incorporated) containing test substances. After reaction at room temperature for 2 hours, biotin-labeled geldanamycin was added to each reaction solution in an amount of 40 nM, followed by reaction for further 1 hour. Detection mix (20 mM HEPES-KOH (pH 7.5), 0.5% BSA, 0.04 mg/mL Nickel Chelate Acceptor beads, 0.04 mg/mL Streptavidin-coated Donor beads) (No. 6760619C, Perkin Elmer, Inc.) was added to each well in the same amount as that of the reaction solution. After reaction in a dark place at room temperature for 1 hour, the fluorescence intensity in each well was measured with a multilabel plate reader, EnVision (Perkin Elmer, Inc.). 
7139	1	Enzyme Assay	Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. 
7140	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	Homogeneous Time-Resolved Fluorescence (HTRF) assay for the recombinant human Syk enzyme: A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Biosciences #08- 176) (5pM final concentration) was incubated with variousconcentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 uM final concentration). Final volume of the reaction was 10 u . Phosphorylation of the peptide was allowed to proceed for 45 minutes at room temperature.
7141	1	FLIPR Assay	FLIPRTETRA Sodium Dye Assay with KCl: Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alpha subunit, alone or in combination with various beta and gamma subunits at a density of ~40,000 cells/well into a 96-well black, clear-bottom, PDL-coated plate. The assay can be adapted to 384-well or 1,536-well format, if desired, using proportionately fewer cells and less media. The plate was then incubated in growth media, with or without selective antibiotic, overnight at 37 C. at 5% CO2, 95% humidity, in preparation for the assay. For counter-screens of other voltage-gated sodium channels, the procedure was very similar, though optimal densities of cells, media and subsequent assay components can be fine-tuned for the particular cell line or isoform. FLIPRTETRA Membrane Potential Assay with KCl: Cells are prepared by plating the recombinant HEK293 cells.
7143	1	Binding Assay	The cyclohexane derivatives of the general formula I were investigated in a receptor binding assay with 3H-nociceptin/orphanin FQ with membranes from recombinant CHO-ORL1 cells. This test system was conducted in accordance with the method described by Ardati et al. (Mol. Pharmacol., 51, 1997, p. 816-824). The concentration of 3H-nociceptin/orphanin FQ in these experiments was 0.5 nM. The binding assays were carried out with in each case 20 &#956;g of membrane protein per 200 &#956;l batch in 50 mM hepes, pH 7.4, 10 mM MgCl2 and 1 mM EDTA. The binding to the ORL1 receptor was determined using in each case 1 mg WGA-SPA beads (Amersham-Pharmacia, Freiburg) by incubation of the batch for one hour at room temperature and subsequent measurement in a Trilux scintillation counter (Wallac, Finland).
7143	2	Binding Assay	The receptor affinity for the human mu-opiate receptor was determined in a homogeneous batch in microtitre plates. For this, dilution series of the particular spirocyclic cyclohexane derivative to be tested were incubated in a total volume of 250 ul for 90 minutes at room temperature with a receptor membrane preparation (15-40 ug protein per 250 ul incubation batch) of CHO-K1 cells, which express the human mu-opiate receptor (RB-HOM receptor membrane preparation of NEN, Zaventem, Belgium), in the presence of 1 nmol/l of the radioactive ligand [3H]-naloxone (NET719, NEN, Zaventem, Belgium) and of 1 mg WGA-SPA beads (wheat germ agglutinin SPA beads from Amersham/Pharmacia, Freiburg, Germany). 50 mmoles/l Tris-HCl supplemented with 0.05 wt. % sodium azide and with 0.06 wt. % bovine serum albumin was used as the incubation buffer. 25 umoles/l naloxone was additionally added for determination of the non-specific binding.
7144	2	Binding Assay	A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was obtained from Incyte Pharmaceuticals and its sequence confirmed by established techniques (for a compendium of techniques used see Ausubel, F. et al. Current Protocols in Molecular Biology, John Wiley and Sons, NY, NY (1995)). The essential coding sequences were subcloned into pCDNA 3.1 (Invitrogen) to produce a P2Y1 expression construct. This construct was then transfected into the human embryonic kidney cell line HEK-293 and stable transfectants selected in GENETICIN (G418 sulfate; Life Technologies). Several lines were screened for binding activity and one (HEK293 #49) selected for further characterization. Membranes were prepared by growing HEK293 #49 in 150 mm dishes in DMEM/10% FBS in the presence of lmg/ml G418 until cells were 80-90% confluent. Plates were then washed with cold (4 C) D-PBS twice.
7144	1	Scintillation Proximity Assay (SPA) Assay	SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were provided by Biology and the cloning of the receptor and P2Yi receptor membrane preparation is same as described by Biology). Binding reactions were performed in 384- well OptiPlates (PerkinElmer Life Sciences, Cat # 6007299) in a volume of 50 ui containing -15 fmol of P2Y1 receptor (1.7 ug of total protein), 0.3 nM [33P] 2MeS-ADP(PerkinElmer; 2,000 Ci/mmol), various concentrations of the test compound (usually between 10 uM and 160 pM) in Buffer B containing 1% DMSO in assay buffer (15 mM, HEPES, 145 mM potassium chloride, 5 mM sodium Chloride, 5 mM EDTA, 0.1 mM MgCl2, pH 7.4) and 100 ug of SPA bead (WGA polystyrene Image beads, #RPNQ 0260V, Amersham). Reactions were allowed to proceed to completion at room temperature for 1 hour followed by centrifugation of the plate for 5 min.
7145	1	Fluorometric Imaging Plate Reader (FLIPR) Asssay	The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique. In this assay calcium flux is triggered by receptor activation and measured through the fluorescence of an incorporated calcium-sensitive dye. The potencies shown were determined using expressed human adenosine A2B receptors in mammalian cell lines. Selectivity values were obtained by using mammalian cell lines expressing the human adenosine A1, A2A and A3 receptors.
7146	1	alpha-Glucosidase Inhibition Assay	The alpha-glucosidase inhibition assay had been carried out using baker's yeast alpha-glucosidase (EC 3.2.1.20) and p-nitrophenyl-alpha-D-glucopyranoside (46 50). The samples (5 ug/mL) were prepared by dissolving the compounds 1-15 in DMSO. Test samples (10 uL) which had been prepared were reconstituted in 100 uL of phosphate buffer (100 mM) at pH 6.8 in 96-well microplate and incubated with 50 uL of baker's yeast alpha-glucosidase for 5 min before 50 uL of p-nitrophenyl-alpha-D-glucopyranoside (5 mM) was added. After incubating for 5 min, the absorbance was measured at 405 nm using SpectraMax plus384 (Molecular Devices Corporation, Sunnyvale, CA, USA). Blank in which the substrate was changed with 50 uL of buffer was analysed to accurately determine the background absorbance. Control sample was prepared to contain 10 uL DMSO instead of test samples.
7147	1	Urease Inhibition Assay	The urease inhibitory activity of synthesized sulfonamides (3a-j) was determined by measuring the amount of ammonia produced by the indophenols method described byWeatherburn (27,28). The reaction mixtures, comprising 20 µL of enzyme (Jack bean urease, 5 U/mL) and 20 µL of test compounds in 50 µL buffer (100 mM urea, 0.01 MK2HPO4, 1 mM EDTA and 0.01 M LiCl2, pH 8.2), were incubated for 10 min at 37 °C in 96-well plate. Briefly, 40 µL each of phenol reagents (1%, w/v phenol and0.005%, w/v sodium nitroprusside) and 70 µL of alkali reagent (0.5%, w/v NaOH and 0.1% active chloride NaOCl) were added to each well. The absorbance at 625 nm was measured after 30 min, using a microplate reader (OPTIMax, Tunable). All reactions were performed in triplicate.
7148	1	DHFR Inhibition Assay	The recombinant human (rh) DHFR was purchased from Sigma-Aldrich (Shanghai, China). All rhDHFR enzymes were assayed spectrophotometrically in a solution containing 0.1 mM dihydrofolate, 0.3 mM NADPH and 100 mM KCl at pH 7.5 and 32 °C. The reaction was initiated with an amount of enzyme yielding a change in O.D. at 340 nm measured by microplate spectrophotometer.
7149	1	Xanthine Oxidase (XO) Assay	Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ammonium sulphate suspension, purchased by Sigma Aldrich). UV visible spectrophotometer (EI 2371) was used for measuring uric acid formation at 293 nm at 25 °C under aerobic condition. The reaction mixture containing 1 mL xanthine (0.15 mM), 2.5 mL potassium phosphate buffer (50 mM, pH 7.4) and 0.5 mL of XO solution (0.405 U/mL) was incubated for 5 min at 25 °C. Inhibition of XO activity by various inhibitors was measured by following the decrease in the uric acid formation at 293 nM at 25 °C. The blank was prepared without enzyme solution. Febuxostat was used as positive control. The enzyme was preincubated for 5 min, with test compounds ranging from 6.25 to 100 µM (six concentrations in triplicate) dissolved in DMSO (1% v/v) (38,39), and the reaction started by the addition of xanthine. DMSO (1% v/v) did not interfere with the enzyme ac
7150	1	CA I and II Esterase Assay	CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance of reaction medium was spectrophotometrically recorded at 348 nM. Also, the quantity of protein was determined at 595 nM according to Bradford method (78).
7151	1	Enzyme-linked Immunosorbent Assay (ELISA)	The substrate of poly (Glu, Tyr) 4:1 (20 lg/mL) (Sigma, St. Louis, MO, USA) was precoated in 96-well ELISA plates, and the kinase was incubated with the compounds in reaction buffer (50 mM HEPES pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2, 0.2 mM Na3VO4, 1mM DTT) containing 10 µM ATP at 37 °C for an hour. The plates were washed with PBS and incubated with antiphosphotyrosine (PY99) antibody (Santa Cruz Biotechnology, Santa Cruz, CA, USA) and horseradish peroxidase-conjugated antibody (Calbiochem, SanDiego, CA, USA) successively. The results were visualized using o-phenylenediamine (OPD) and read on a multiwell spectrophotometer (VERSAmaxTM; Molecular Devices, Sunnyvale, CA, USA).
7152	1	pH-Stat Assay	A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant (at 8.0) in fixed concentrations of 5 mM for diC4PC, 150 mM NaCl, and 5 mM CaCl2 (Ca2+ for PLD_SC only). The diC4PA product decreased the pH and was in a 1:1 ratio with moles of NaOH needed to stabilize the pH at 8.0. This pH is appropriate as the pKa2 of the diC4PA side chain is ~6.8 so that all of this product will be titrated at pH 8.0 (14). Once the baseline-specific activity was determined for the enzyme, known amounts of inhibitors ranging from 0.1 nM to 0.1 mM concentration were added. Initial molecule screening was carried out with small molecule inhibitors listed in Table 1, in the micromolar range (~10 data points in duplicate). Then, full duplicate curves were generated higher or lower than these initial concentrations depending on the efficiency of each individual compound. In these assays, between 1.5 and 2.5 µg of PLD enzyme
7153	1	MAO Inhibition Assay	The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinant human MAO enzymes were used, and kynuramine served as non-selective MAO substrate. The MAOs oxidize kynuramine to ultimately yield a fluorescent metabolite, 4-hydroxyquinoline, which was measured by fluorescence spectrophotometry (kex = 310; kem = 400 nm).
7154	1	Stopped-flow Assay	Osmotic water permeability was measured at 22-24 °C bymonitoring 90° scattered light intensity at 520 nm wavelength. Measurements were made using a PiStar 180 (Applied Photophysics, UK), with a dead time of 1-2 milliseconds. Thirty minutes prior to the assay, stripped red blood cell ghosts or proteoliposomes containing purified AQP1 and stored in ice were treated with mercuric chloride (50-100 µM; positive control for inhibition) or with the various compounds usually at a concentration of 150 µM. Stock solutions of compounds were in 100% ethanol (for stripped erythrocyte membrane experiments) and in 100% DMSO (for proteoliposome experiments). An inwardly directed osmotic gradient (hyperosmotic shock) was created by mixing the vesicles maintained in Buffer A (50 mM sodium phosphate buffer pH, 100 mM NaCl, 1 mM EDTA, 0.025% sodium azide) with an equal volume of 200 mM mannitol. On the other hand, vesicles preincubated with 200 mM mannitol were mixed with Buffer A to create an outwardly 
7155	1	In-vitro HDAC Enzymatic Endpoint Assay	Purified HDAC1-9 (0.5~5 nM) were incubated with 2 &#956;M carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for 60 min at room temperature, in HDAC assay buffer that contained 50 mM HEPES (pH 7.4), 100 mM KCl, 0.01% BSA and 0.001% Tween-20. Reactions were terminated by the addition of the known non-selective HDAC inhibitor LBH-589 (panobinostat) with a final concentration of 1.4 &#956;M. Acetylated peptide substrate and deacetylated peptide product were separated on a Caliper LabChip EZ Reader II equipped with a 12-sipper chip in ProfilerPro separation buffer and fluorescence intensity in the substrate and product peaks was determined and analyzed using EZ Reader software (Caliper Life Sciences; Hopkinton, MA). The separation of substrate and product was performed under the following optimized conditions: upstream voltage = &#8722;500 V, downstream voltage = &#8722;1500V and pressure = &#8722;1.3 psi. The reactions were performed in duplicate for e
7156	1	PRMT Biochemical Assays	In brief, the tritiated S-adenosyl-L-methionine (3HSAM, PerkinElmer Life Sciences) was used as the donor of methyl group. The (3H) methylated biotin labeled peptide was captured in a streptavidin/scintillant-coated microplate (FlashPlate PLUS; PerkinElmer Life Sciences), which brings the incorporated 3H-methyl and the scintillant to close proximity resulting in light emission that is quantified by tracing the radioactivity signal (counts per minute) asmeasured by a TopCount NXT Microplate Scintillation and Luminescence Counter (PerkinElmer Life Sciences). When necessary, nontritiated SAM was used to supplement the reactions.
7156	2	Biophysical Assays	Isothermal titration calorimetry (ITC) was performed at 25 °C in a Nano ITC instrument (TA Instruments, USA). The cell was loaded with 25 &#956;M PRMT6, 100 &#956;M SAMand 2.5% DMSO in 50 mM Tris-HCl (pH 8.5) containing 150 mM NaCl. The syringe wasloaded with 200 &#956;M MS023, 100 &#956;M SAM and 2.5% DMSO prepared in the same buffer. 2 &#956;L volumes were injected at 180 seconds intervals (25 injections in total). The data was analyzed using "Nano Analyze" software supplied by the manufacturer and fit to a one binding site model. Differential scanning fluorimetry was carried out as described previously.6 The experiments were done with 100 mM HEPES buffer (pH 7.4) containing 150 mM NaCl, 0.1 mg mL-1 PRMT6, and 5X Sypro Orange.
7157	1	Biochemical Assays	Stock solutions for all assays were prepared in DMSO (10 mM) and stored at &#8722;20 °C. Assays were performed in 96 well plates (Greiner) at a total reaction volume of 100 &#956;L. First, enzyme (final concentration: 50 nM) was incubated with inhibitor (25 &#956;M) or positive control (DMSO, 0.25%) in a reaction buffer (finalconcentration: 100 &#956;M CoCl2 6H2O, 100 mM NaCl, 0.075% bovine serum albumine, 50 mM Tris pH 7.5) for 20 min at 37 °C. Then, the substrate Met-Gly-Met-Met was added to a final concentration of 400 &#956;M. After an incubation period of 15 min (HsMetAP1), 20 min (EcMetAP), or 60 min (HsMetAP2) at 37 °C, the enzyme reactionwas stopped by adding 10 &#956;L 4% trifluoroacetic acid (TFA), and the plate was centrifuged at 1000g for 10 min. Detection of the product Gly-Met-Met was performed by HPLC: C18 column (Dr. Maisch, ReproSil-Pur 120 ODS-3, 3 &#956;m, 50 × 2 mm). An 80 &#956;L injection volume was eluted with mobile phases A (H2O and 0.1% TFA, filtered, degasse
7158	1	&#946;-Glucuronidase Inhibition Assay	The protocol followed in this study was earlier reported [33,34]. &#946;-Glucuronidase activity was evaluated by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometeric method. The total reaction volume was set at 250 µL. The reaction mixture comprises of 185 µL of 0.1 M acetate buffer, 5 µL of test compound solution, 10 µL of enzyme solution and incubated at 37 °C for 30 min. The readings were recorded on a multiplate reader (SpectraMax plus 384) at 405 nm after the addition of 50 µL of 0.4 mM p-nitrophenyl-b-Dglucuronide. All assays were carried out in triplicate. Beside this, to prevent precipitation, the concentration of the compounds was decreased and the reaction volume was high (200 µL) so the probability of precipitation was attenuated hence the addition of detergents was not required.
7159	1	In-vitro Yeast &#945;-Glucosidase Inhibition Assay	&#945;-Glucosidase inhibitory activity was evaluated at 37 °C, by using 0.1M phosphatebuffer (pH6.8) [28]. The enzyme(EC3.2.1.20, Saccharomyces cerevisiae purchased from sigma; catalog # G5003) (0.2 U/mL) was incubated with test compounds and phosphate buffer at 37 °C for 15 min. After 15min of incubation, 0.7 mM of substrate i.e. p-nitrophenyl-&#945;-D-glucopyranoside (Sigma; catalog # N1377) was added and the change in absorbance was recorded at 400 nm for 30min by using spectrophotometer (SpectraMax M2, Molecular Devices, CA, USA). Test compound was replaced with DMSO in control experiments (7.5% final concentration).Acarbose was used as the standard inhibitor.
7161	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The test detects the phosphorylation of the substrate GFP-4EBP1 using a terbium-labelled antibody that is specific for the phospho-Thr46 epitope. Binding of the Tb-antibody to the phosphorylated GFP peptide allows the transfer of energy from Tb, excited at 340 nm, to GFP with an increase in the fluorescence emission of the GFP at 520 nm. The test is performed in 96-well format (Corning/Costar 96 black flat-bottomed half-wells plate, ref. 3694) in a total volume of 30 ul. To 1 ul of inhibitor in 100% DMSO are added (final concentrations) 400 nM of GFP-4EBP1 (Invitrogen PV4759), 8 uM of ATP, 200 ng/ml of enzyme (human recombinant aa mTOR 1360-2549, Invitrogen PV4753) in a buffer of HEPES 50 mM pH 7.5, EGTA 1 mM, MnCl2 10 mM, BSA 0.1 mg/ml, glycerol 0.5%, NV-10 0.1 mg/ml, DTT 2 mM. The mixture is incubated for 30 minutes at room temperature. 10 ul of solution are taken up and the reaction is quenched by adding 10 ul of Tb-antibody solution (Invitrogen PV4757)/EDTA.
7161	2	Enzyme Assay	The test uses a lucifeurerin/luciferase system to measure the concentration of ATP and its consumption during the enzymatic reaction. The test is performed in 96-well format (Corning/Costar 96 black flat-bottomed half-wells plate, ref. 3694) in a total volume of 30 &#956;l. To 1 &#956;l of inhibitor in 100% DMSO are added (final concentrations) 50 &#956;M of the substrate PIP2 ((L-&#945;-phosphatidyl-D-myoinositol 4,5-bisphosphate, Echelon 117P-4516-0500), 2 &#956;M of ATP and 1.7 &#956;g/ml of PI3K&#945;, (p110&#945;/p85&#945;, Invitrogen PV4788) in a buffer of Tris/HCl 50 mM pH 7.5, EGTA 1 mM, MgCl2 10 mM, Chaps 0.03%, 1 mM DTT). After 90 minutes, the reaction is quenched by adding 20 &#956;l/well of KinaseGlo reagent (Promega V6713). After 10 minutes in the dark, the luminescence is read on the PHERAStar microplate reader (reading at 0.8 sec/well).
7166	1	Reporter Assay	The compounds were subjected to tests using an artificial AR response reporter system in a hormone refractory prostate cancer cell line. In this system, the prostate cancer LNCaP cells were engineered to stably express about 5-fold higher level of AR than endogenous level. The exogenous AR has similar properties to endogenous AR in that both are stabilized by a synthetic androgen R1881. The AR-over expressed cells were also engineered to stably incorporate an AR response reporter and the reporter activity of these cells shows features of hormone refractory prostate cancer. 
7168	1	Scintillation Proximity Assay (SPA)	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 20 uM ATP, 0.2 uCi [gamma-33P]ATP, 4 nM PI3K delta. Reactions were incubated for 210 min and terminated by the addition of 40 uL SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 uM ATP. The final concentration of SPA beads was 1.0 mg/mL.
7164	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	An expression vector containing cDNA of BRD2, 3 and 4 added with Flag-tag was transfected to CHO cell, and a cell lysate was prepared 24 hr later. Binding of acetylated histone H4 and BRD was confirmed by a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) method. To a 384-well white plate (manufactured by Coaster) were added 50 nmol/L biotin-labeled acetylated histone H4 peptide (manufactured by Upstate) and a serially diluted test compound. Furthermore, CHO cell lysate transfected with BRD expression vector, a europium-labeled anti-Flag antibody (manufactured by Cisbio), and XL-665-labeled avidin (manufactured by Cisbio) were added, and the mixture was reacted at room temperature for 30 min to 2 hr. The fluorescence by FRET was measured by EnVision 2103 Multilabel Reader (manufactured by Perkin Elmer).
7167	1	Kinase Assay	Assays were performed as described in Fabian et al. (2005) Nature Biotechnology, vol. 23, p. 329 and in Karaman et al. (2008) Nature Biotechnology, vol. 26, p. 127.For most assays, kinase-tagged T7 phage strains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection 0.1) and incubated with shaking at 32 C. until lysis (90 minutes). The lysates were centrifuged (6,000xg) and filtered (0.2 mm) to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand.
7169	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates . To this end, 1.5 &#956;g of the DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK biotin-NH2 (biotin-DNA-PK peptide), in a total volume of 36.5 &#956;l (34.25 mM HEPES/KOH, 7.85 mM Tris-HCl, 68.5 mM KCl, 5 &#956;M ATP, 6.85 mM MgCl2, 0.5 mM EDTA, 0.14 mM EGTA, 0.69 mM DTT, pH 7.4), were incubated at room temperature for 90 min with 500 ng of DNA from calf thymus, 0.1 &#956;Ci of 33P-ATP and 1.8% of DMSO per well with or without the test compound. The reaction was stopped using 50 &#956;l/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 &#956;l of 0.9% sodium chloride solution. A non-specific reaction (blank value) was determined using 10 &#956;M of a proprietary kinase inhibitor. 
7170	1	Enzyme Assay	Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. 
7171	1	Fluorescence Polarization Binding Assay (FPBA)	This assay essentially is available from Cayman Chemical Company as Catalog item #600007. The test data reported for the aforementioned Examples (H-PGDS FPBA IC.sub.50) were generated using a 96-well, instead of the 384-well, format.Detection analyte and H-PGDS-MBP fusion enzyme were incubated in the presence of reduced glutathione (5 mM) for 60-90 minutes at room temperature and FP was measured using a TECAN SAFIRE 2 plate reader equipped with absorbance, fluorescence, fluorescence polarization and FRET capabilities. Assays were performed in 96-well microtiter plates in 100 .mu.L of total sample volume. Excitation and emission wavelengths appropriate for the employed detection analyte were used.
7171	2	Enzyme Immunoassay (EIA))	The assay is carried out by the following steps: 1. Inhibitor screening is performed in 100 mM Tris-HCl, pH 8.0 containing 1 mM GSH, 1 mM MgCl.sub.2, 4% inhibitor/DMSO, 40 .mu.M PGH.sub.2 and 25 ng of PGDS in a total volume of 125 .mu.L. 2. A reaction mixture containing 100 mM Tris-HCl, pH 8.0, 1 mM GSH, 1 mM MgCl.sub.2, 25 ng H-PGDS and 4% inhibitor or DMSO (uninhibited reaction) is preincubated at 25.degree. C. for 10 minutes. 3. Reactions are initiated using 5 .mu.L of PGH.sub.2 and quenched every 15 seconds for one minute. Reactions are quenched by taking 10 .mu.L of reaction mixture and adding to 490 .mu.L of 100 mM phosphate buffer containing 0.1% BSA, 400 mM NaCl, 1 mM EDTA, 20 mM FeCl.sub.2, 10% 1N HCl, and 0.01% azide to prevent the non-enzymatic formation of PGD.sub.2 from PGH.sub.2. The FeCl.sub.2 serves the purpose of reducing PGH.sub.2 to 12-HHT. (Quench buffer is kept on ice at all times). 4. Quenched samples (5 .mu.L) are further diluted 100 fold in 495 .mu.L of 100 mM.
7172	2	Scintillation Proximity Assay (SPA)	First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remove free biotin. Then compounds at varying concentrations were incubated with 15 nM CETP (reagent production group, In Vitro Pharmacology, MRL Rahway) and 50 ug/ml of the biotinylated LDL in 50 mM HEPES, 150 mM NaCl, pH 7.4, for 1 hour at 37 ° C. The reaction was started by adding 3H-cholesterol ester high density lipoprotein (HDL) (American Radiochemicals Corp) at a concentration of ~0.6 nM. The reaction proceeded for 2 hours at 37 ° C., after which time it was quenched by the addition of 12% acetic acid. PVT streptavadin-coated scintillation proximity beads, which had been brought to room temperature, were then added at a concentration of 4 mg/ml. The assay was then mixed and counted after one half hour in a Microbeta plate reader.
7172	1	In Vitro Radioactive (RTA) Assay	An in vitro assay for determining ICso's to identify compounds that inhibit CETP transfer activity is performed based on a modification of a published method (Morton and Zilversmit, (1981) A plasma inhibitor of triglyceride and cholesteryl ester transfer activities, J. Biol. Chem. 256(23), 1 1992-1 1995). The ability of inhibitors to alter CETP activity is performed using two different assays: one using recombinant CETP and one using an endogenous plasma source of CETP. Both assays measure the transfer of [3H] cholesteryl oleate or [3H] triolein from exogenous LDL to HDL.Radiolabeled donor particles are generated by first combining 100 ul of 200 uM butylated hydroxyl toluene in CHC13, 216 of 21.57 mM DOPC in EtOH, and either 500 uCi [3H]-triolein (Perkin Elmer #NET-431) or 500 uCi [3H]-cholesteryl oleate (GE #TRK886) in a glass tube. Reagents are mixed, dried under nitrogen, and then resuspended in 2 mL of 50 mM Tris, 27 uM EDTA.
7173	1	Inhibition Assay	In a final reaction volume of 25 &#956;L, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and [&#947;-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7173	2	Inhibition Assay	In a final reaction volume of 25 &#956;L, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and [&#947;-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filter-mat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7174	1	Surface plasmon resonance (SPR)	The SPR assay is configured to examine solution inhibition of BCL-2 binding to peptide derivatized sensor surfaces to generate IC50 values as a measure of inhibitor potency. Solution Inhibition Assay Format: Biacore TM A100 (GE Healthcare, Uppsala, Sweden) was used to conduct all experiments reported herein. Sensor surface preparation and all interaction analyses experiments were performed at 25&deg; C. Reagents were purchased from GE Healthcare. Running buffer containing 10 mM Hepes, pH7.4, 150 mM sodium chloride, 1.25 mM Dithiothreitol, 3% Dimethyl sulfoxide and 0.05% polysorbate 20 were utilized throughout all analyses. Biotinylated BAK, BAD and NOXA peptides were diluted to 10 nM in running buffer and captured onto a sensor surface pre-derivatized with streptavidin (sensor chip SA) to peptide surface densities in the range 50-100 R.U. Peptide captured surfaces were blocked with 50004 PEO2Biotin. A blank detection spot in each flowcell was similarly blocked with PEO2-biotin and served as a reference spot in the competition assay.
7175	1	Surface plasmon resonance (SPR)	Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsala, Sweden) to characterize BCL-2 inhibitors.Biacore utilizes the phenomenon of surface plasmon resonance (SPR) to detect and measure binding interactions. In a typical Biacore experiment, one of the interacting molecules (ligand) is immobilized on a flexible dextran matrix while the interacting partner (analyte) is allowed to flow across that surface. A binding interaction results in an increase in mass on the sensor surface and a corresponding direct change in the refractive index of the medium in the vicinity of the sensor surface. Changes in refractive index or signal are recorded in resonance units (R.U.) Signal changes due to association and dissociation of complexes are monitored in a non-invasive manner, continuously and in real-time, the results of which are reported in the form of a sensorgram.
7175	2	Surface plasmon resonance (SPR)	Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsala, Sweden) to characterize BCL-2 inhibitors.Biacore utilizes the phenomenon of surface plasmon resonance (SPR) to detect and measure binding interactions. In a typical Biacore experiment, one of the interacting molecules (ligand) is immobilized on a flexible dextran matrix while the interacting partner (analyte) is allowed to flow across that surface. A binding interaction results in an increase in mass on the sensor surface and a corresponding direct change in the refractive index of the medium in the vicinity of the sensor surface. Changes in refractive index or signal are recorded in resonance units (R.U.) Signal changes due to association and dissociation of complexes are monitored in a non-invasive manner, continuously and in real-time, the results of which are reported in the form of a sensorgram.
7176	1	Fluorometric Assay	All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was evaluated fluorometrically using H-Gln-beta NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of beta -naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-beta NA from H-Gln-beta NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30 C. utilizing the NOVOStar reader for microplates (BMG labtechnologies).
7177	1	Biological Assay	Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently, TASK-1-encoding RNA synthesized in vitro was injected into oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 interface (Instrutech Corp., Long Island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to &#8722;90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing: NaCl 96 mM, KCl 2 mM, CaCl2 1.8 mM, MgCl2 1 mM, HEPES 5 mM (pH adjusted to 7.4 with NaOH). All experiments were performed at room temperature.
7178	1	Inhibition Assay	In one aspect, the compound inhibits PLD activity; that is, a compound can inhibit PLD1 activity and/or PLD2 activity. In a further aspect, the compound inhibits PLD1 response in Calu-1 cells. In a further aspect, the compound inhibits PLD2 response in HEK293gfpPLD2 cells. In a further aspect, the compound inhibits in vitro PLD1 response. In a further aspect, the compound inhibits in vitro PLD2 response. 
7179	1	Inhibition Assay	Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester (PHOME), a sensitive substrate for sEH that can be used to monitor the activity of both human and murine enzymes. Hydrolysis of the substrate epoxide yields a highly fluorescent product, 6-methoxy-2-Naphthaldehyde, which can be monitored at excitation and emission wavelengths of 330 and 465 nm, respectively. See Wolf et al., Anal Biochem 355:71-80, 2006 PMID: 16729954. Human recombinant sEH was incubated with substrate and compounds ranging in concentration from 0.1 to 1000 nM. 
7181	1	AChE Inhibition Assay	AChE inhibitory activity was measured with a Molecular Devices Spectra Max Plus 384 spectrophotometer (CA, USA) based on Ellman&#39;s method with slight modification. For each assay, 200 µl of the assay medium containing 100 µl of 0.1 M phosphate buffer (pH 8), 20 µl of 3.3 mM 5,50-dithiobis(2-nitrobenzoic acid) in 0.1 M phosphate buffer (pH 7) containing 6 mM NaHCO3, 20 µl of the test compoundsat different concentrations in methanol, and 40 µl of 0.1 unit/ml AChE in phosphate buffer (pH 8) were incubated at 37 °C for 20 min. Subsequently, 20 µl of 5 mM acetylthiocholine iodide in water was added, and the absorbance was measured at 412 nm every 20 s for 3 min. The rate of each reaction was calculated by Microplate Manager software. The blank percentage of inhibition of the tested compounds was determined by comparing the rate of the sample to the blank. The IC50 value was determined by non-linear regression of the log inhibitor concentration versus the percentage of inhibition using G
7182	2	ALK HTRF Assays	The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (HTRF) assay (High Fluorescence Resonance Energy Transfer). The test compounds or reference controls were dissolved in DMSO as stock solution. The DMSO solution was serial diluted (duplicated with 3-fold dilution) to make that the concentrations were from 10 µM to 0.17 nM in 11 doses. The enzyme reaction mixture of ALK WT/ALK C1156Y/ALK L1196M for HTRF assay contained 0.5 nM ALK WT/0.15 nM ALK C1156Y/0.15 nM ALK L1196M, 1 µM biotin-TK peptide, and 30 µM ATP in a kinase reaction buffer containing 50 mM HEPES (pH 7.5), 5 mM MgCl2, 0.01% BSA, 0.1 mM Orthovanadate at a final volume of 10 µL. The enzyme reaction were carried out at room temperature in white Proxiplate 384-Plus plate (PerkinElmer) for 90 min. 10 µL of the detection reagents contained 6.7 nM TK-Antibody and 16.67 nM XL665 in a detection buffer containing 50 mM HEPES (pH 7.5), 0.8 
7183	1	5-LO Activity Assay	Purified 5-LO was diluted in PBS containing EDTA (1 mM) and freshly added ATP (1 mM) and incubated with the myxochelin test substances for 10 min at 4°C, followed by 30 s at 37°C. Addition of CaCl2 (2 mM) and arachidonic acid (20 µM) initiatedthe 5-LO product formation. After 10 min, the reaction was terminated by adding ice-old MeOH (1 mL), and the production of 5-LO metabolites was analyzed by RP-HPLC.
7184	1	Alpha Screen Interaction Assay	An AlphaScreen assay was performed according to the manufacturer's protocol (Perkin Elmer, Benelux). Reactions were performed in 25 ul final volume in 384-well Optiwell microtiter plates (Perkin Elmer). The reaction buffer contained 25 mM Tris-HCl (pH 7.4), 150 mM NaCl, 1 mM MgCl2, 0.01% (v/v) Tween-20 and 0.1% (w/v) bovine serum albumin. His6-tagged integrase (300 nM final concentration) was incubated with the compounds for 30 min at 4 C. The compounds were added at varying concentrations spanning a wide range from 0.1 up to 100 uM. Afterwards 100 nM flag-LEDGF/p75 was added and incubation was prolonged for an additional hour at 4 C. Subsequently 5 ul of Ni-chelate-coated acceptor beads and 5 ul anti-flag donor beads were added to a final concentration of 20 ug/ml of both beads. Proteins and beads were incubated for 1 h at 30 C. in order to allow association to occur. Exposure of the reaction to direct light was omitted as much as possible.
7184	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	An Homogeneous Time Resolved Fluorescence (HTRF) assay was performed in a manner similar to previous reports on HTRF protein protein assays as reviewed by Mathis (Clin Chem, 2005). The assay procedure was performed as follows: reactions were performed in 20 ul final volume in 384-well black low volume microtiter plates (Greiner). The final reaction buffer contained 29 mM phosphase buffer (pH 7), 10 mM HEPES buffer (pH 7.4), 68.5 mM NaCl, 1.4 mM KCl, 400 mM KF 0.05% (w/v) pluronic acid (P104, Sigma Aldrich) and 1% (v/v) DMSO. His6-tagged integrase (78 nM final concentration) was incubated with mannose binding protein fused to the Delta 325 carboxy terminal integrase binding domain of LEDGF in the presence of compound for 2 hours at room temperature. Both these protein regents were supplied by Prof. Zeger Debyser of Katholieke Universiteit Leuven, Leuven, Belgium. The compounds were added at varying concentrations spanning a wide range from 0.1 up to 100 uM.
7185	1	Radioligand Binding Assay	The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a functional antagonist assay. For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in buffer. The assay was terminated by rapid filtration, and the bound radioactive signal was determined by liquid scintillation counting.
7186	1	Two-Hybrid Assay	Detection of MEF2D and HDAC4 interactions. In this mammalian two-hybrid assay, HDAC4 and MEF2D proteins were used as representative members of their respective protein families because the protein-protein interactions involved in the recruitment of class IIa HDACs by MEF2 were highly conserved. Two separate DNA constructs were made with MEF2D fused with the GAL4 DNA binding domain (GAL4-MEF2D) and with the MEF2-binding motif of HDAC4 (AA 155-220) fused with the viral transactivator VP-16 (HDAC4-VP16) (FIG. 1). Human epithelial carcinoma cells (HeLa) were co-transfected with the two DNA constructs (GAL4-MEF2D and HDAC4-VP16) and a reporter plasmid (Gal4Luc). The DNA constructs resulted in expression of the GAL4-MEF2D and HDAC4-VP16 fusion proteins within the cell. MEF2D and HDAC4 protein interactions were detected as a result of the GAL4-MEF2D and HDAC4-VP16 protein complex binding a DNA promoter on the reporter plasmid (Gal4Luc) and driving cellular expression of a luciferase gene.
7187	1	null	The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human u opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25&deg; C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 uM naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber.
7187	2	Functional Assay (GTPgammaS Binding)	The EC50 and Imax for mu opioid receptors was determined using a [I35S]GTPgammaS binding assay. This assay measures the functional properties of a compound by quantifying the level of G-protein activation following agonist binding in studies using stably transfected cells, and is considered to be a measure of the efficacy of a compound. Membranes from CHO (Chinese Hamster Ovary) cells that stably expressed the cloned human Mu opioid receptor were used in the experiments. Specifically, in a final volume of 0.5 mL, 12 different concentrations of each test compound were incubated with 7.5 ug of CHO cell membranes that stably expressed the human mu opioid receptor. The assay buffer consisted of 50 mM Tris-HCl, pH 7.4, 3 mM MgCl2, 0.2 mM EGTA, 3 uM GDP, and 100 mM NaCl. The final concentration of [35S]GTPgammaS was 0.080 nM. Nonspecific binding was measured by inclusion of 10 uM GTPgammaS. Binding was initiated by the addition of the membranes.
7188	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
7188	2	Electrophysiology Assay	Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system was used to apply test solutions directly to the cell under evaluation. This system consists of an array of glass pipette glass connected to a motorized horizontal translator. The outlet of the shooter was positioned approximately 100 um from the cell of interest.Whole cell currents were recorded using the whole-cell patch clamp configuration using an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.), 1322A A/D converter (Axon Instruments) and pClamp software (v. 8; Axon Instruments) and stored on a personal computer. Gigaseals were formed and the whole-cell configuration was established in voltage clamp mode, and membrane currents generated by hNav1.7 were recorded in gap-free mode.
7189	1	Enzymatic Kinase Assay	Kinase activity is measured in vitro using electrophoretic mobility shift assay. The kinase reactions are assembled in a total volume of 25 uL in 384 well plates. The reactions comprise: BTK enzyme (1 nM, N-terminal His6-tagged, recombinant, full-length, human BTK purified from baculovirus Sf21 insect cell system), inhibitor, ATP (16 uM, the apparent Km for the kinase), fluorescently labeled peptide substrate (1 uM, FAM-GEEPLYWSFPAKKK-NH2) in a reaction buffer composed of 100 mM HEPES, pH7.5, 5 mM MgCl2 1 mM DTT, 0.1% bovine serum albumin, 0.01% Triton X-100, and 1% DMSO. The reaction is incubated for one hour and is quenched by the addition of 45 uL of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 30 mM EDTA). The terminated reactions are analyzed using 12 channel LabChip 3000 microfluidic detection instrument (Caliper Life Sciences). The enzymatic phosphorylation of the peptide results in a change in net charge, enabling electrophoretic separation.
7192	1	SPA Assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H-Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 ul of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4 C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition.
7193	1	Kinase Assay	Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKSPGEYVNIEFG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7193	2	Kinase Assay	KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7193	3	Kinase Assay	Axl (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKSRGDYMTMQIG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7195	1	AlphaScreen cAMP Assay	MIN6 cells [Miyazaki J et al. Endocrinology. 1990 July; 127(1):126-32] were stably transfected with an expression vector for human GPR119 cDNA (Acc. No. NP-848566). Min-6/hGPR119 cells are cultured in DMEM, 10% FBS, 50 uM beta-mercaptoethanol, 0.3 mg/mL Geniticin, 2 mM GlutaMAX at 37 C. 5% CO2. For the assay, the cells are placed in Optiplates (white, 384-well, 160W-barcoded, TC, sterile with lid, Cat. No. #6007688 (Perkin Elmer); 10000 cells/well; 50 ul). The plates covered with lids are then incubated for 24 hours at 37 C./5% CO2.After the medium has been sucked out of the wells completely, 10 ul of the test compound are added, the compounds are diluted beforehand with stimulating buffer (140 mM NaCl, 3.6 mM KCl, 0.5 mM NaH2PO4, 0.5 mM MgSO4, 1.5 mM CaCl2, 10 mM Hepes, 5 mM NaHCO3; pH 7.4. 0.5 mM IBMX and 0.1% BSA, the final DMSO concentration is 1%). After 45 minutes' incubation at RT, the cAMP concentrations are determined using the AlphaScreen cAMP Assay.
7196	1	Radioligand Binding Assay	Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12,000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.
7198	1	CDK9/CycT1 Kinase Assay	Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany) For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
7198	2	CDK2/CycE Kinase Assay	Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose affinity chromatography, were purchased from ProQinase GmbH (Freiburg, Germany). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany)For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
7198	3	CDK9/CycT1 	Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI peptide technologies (Berlin, Germany) For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction.
7198	4	Carbonic Anhydrase Assay	The principle of the assay is based on the hydrolysis of 4-nitrophenyl acetate by carbonic anhydrases (Pocker & Stone, Biochemistry, 1967, 6, 668), with subsequent photometric determination of the dye product 4-nitrophenolate at 400 nm by means of a 96-channel spectral photometer. 2 uL of the test compounds, dissolved in DMSO (100-fold final concentration), in a concentration range of 0.03-10 umol/L (final), was pipetted as quadruplicates into the wells of a 96-hole microtiter plate. Wells that contained the solvent without test compounds were used as reference values (1. Wells without carbonic anhydrase for correction of the non-enzymatic hydrolysis of the substrate, and 2. Wells with carbonic anhydrase for determining the activity of the non-inhibited enzyme). 188 uL of assay buffer (10 mmol/L of Tris/HCl, pH 7.4, 80 mmol/L of NaCl), with or without 3 units/well of carbonic anhydrase-1 [=human carbonic anhydrase-1.
7199	1	Inhibition Assay	Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in freshly prepared Base Reaction Buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO).2) Deliver cofactors (1.5 mM CaCl2, 16 ug/mL Calmodulin, 2 mM MnCl2) to the substrate solution above.3) Deliver indicated kinase into the substrate solution and gently mix4) Deliver varying concentrations of test compound in DMSO into the kinase reaction mixture.5) Deliver 33P-ATP (specific activity 0.01 uCi/uL final) into the reaction mixture to initiate the reaction.6) Incubate kinase reaction for 120 min at room temperature.7) Reactions are spotted onto P81 ion exchange filter paper (Whatman #3698-915)8) Unbound phosphate is removed by washing filters extensively in 0.75% phosphoric acid.9) 33P signal was determined using Typhoon phosphorimagers (GE Healthcare).
7200	1	Biological Assay	In order to demonstrate the utility of the compounds of this invention, an androgen receptor binding assay was performed wherein many of the compounds of this invention are shown to demonstrate significant affinity for the androgen receptor. The assay was performed as specified by the manufacturer (Invitrogen, Madison, Wis.). Briefly, 1 ul of 10 mM compound was added to 500 ul of AR screening buffer in a 1.5 ml eppendorf tube to make a 2x10E-5M stock. 10-fold serial dilutions of the test compounds were prepared ranging in concentration from 10E-5M to 10E-12M. Each dilution was added in triplicate to a black 384-microtiter plate. The test compounds will be diluted 2-fold in the final reaction. 2x AR-Fluormone complex was prepared with 2 nM Flourmone AL Green and 30 nM AR. 25 ul of 2x complex was aliquoted to each reaction well, such that the final reaction volume was 50 ul per well.
7202	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100x final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 uM S/T17 peptide substrate and 25 uM ATP (corresponding to the observed Km) for a total reaction volume of 25 uL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm.
7203	1	Competition Binding Assay	The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standard. Competition binding experiments were performed by incubating membranes (5-10 &#956;g of protein/sample) with a single concentration of the A2a antagonist [3H]ZM241385 (Biotrend, Cologne, Germany) (2 nmol/l), in the presence of various concentrations (ranging from 10&#8722;5 to 10&#8722;11 mol/l) of test and reference compounds in 96-well filter plates (MultiScreen system, cat. MAFBN0B10, Millipore, Billerica, Mass., USA) for one h at 4° C. in a total volume of 200 &#956;l/well of appropriate buffer (50 mmol/l Tris-HCl, pH 7.4, 10 mmol/l MgCl2). Nonspecific binding was determined in the presence of 10 &#956;mol/l cold ZM241385 (Tocris, Ellisville, Mo., USA). At the end of incubation, bound and free radioligands were separated by filtering the 96-well filter plates using a Millipore filtration apparatus (MultiScreenHTS vacuum manifold).
7203	2	Competition Binding Assay	Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (cat. ES-010-M400UA, Perkin Elmer, Boston, Mass., USA) (5-10 ug of protein/sample) with a single concentration of [3H]DPCPX (1.7 nmol/l) (Perkin Elmer), in the presence of various concentrations (ranging from 10E-5 to 10E-10 M) of cold DPCPX, ST4206 and ST4208 in 96-well filter plates (MultiScreen system, cat #MAFBN0B10, Millipore, Billerica, Mass., USA) for 60 min at 25 C. in a total volume of 200 uL/well of 25 mmol/l Hepes, 5 mmol/L MgCl2, 1 mmol/l CaCl2, 100 mmol/L NaCl, pH 7.4 (all from Sigma-Aldrich). Non-specific binding has been determined in the presence of 250 umol/l of cold DPCPX (8-cyclopentyl-1,3-dipropylxanthine, Sigma-Aldrich). At the end of incubation, bound and free radioligands have been separated by filtering the 96-well filter plates using a Millipore filtration apparatus.
7204	1	Kinase Assay	CDC25C (2 ug/well) with PLKl (1 ug/well) in 20 mM Tris/HCl buffer pH 7.5, supplemented with 25 mM beta-glycerophosphate, 5 mM EGTA, 1 mM DTT and 1 mM NaVO3. Serial dilutions of test compound in assay buffer were added. Reaction was initiated by the addition of 100 uM ATP and 0.5 uCi of [gamma-32P]-ATP. The reaction mixture was incubated at 30 0C for 1 h, then stopped with 75 mM aq orthophosphoric acid, transferred onto a 96-well P81 filter plate (Whatman), dried, and the extent of CDC25C phosphorylation was assessed by scintillation counting using a Packard TopCount plate reader. The raw assay data was analysed by non-linear regression analysis parameters and IC50 values were determined using the equation: y = A + ((B- A)/(l+((C/x)+D))), where y is % inhibition, A is minimum inhibition, B is maximum inhibition, C is EC5O, and D is the slope factor.
7205	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. Measurements were performed in a reaction volume of 50 uL using 96-well assay plates. Kinase enzyme, inhibitor, ATP (at the Km for the kinase), and 1 uM peptide substrate (Biotin-AVLESEEELYSSARQ-NH2) were incubated in a reaction buffer composed of 20 mM Tris, 50 mM NaCl, MgCl2 (5-25 mM depending on the kinase), MnCl2 (0-10 mM), 1 mM DTT, 0.1 mM EDTA, 0.01% bovine serum albumin, 0.005% Tween-20, and 10% DMSO at pH 7.4 for one hour. The reaction was quenched by the addition of 1.2 equivalents of EDTA (relative to divalent cation) in 25uL of 1x Lance buffer (Perkin-Elmer). Streptavidin-APC (Perkin-Elmer) and Eu-labeled p-Tyr100 antibody (Perkin-Elmer) in 1x Lance buffer were added in a 25 uL volume to give final concentrations of 100 nM and 2.5 nM, respectively, and the mixture was allowed to incubate for one hour.
7201	1	Enzymatic Assay	Activity of unphosphorylated c-FMS kinase (uFMS, Seq. ID no. 1) was determined by following the production of ADP from the FMS kinase reaction with ATP and poly E4Y as substrates through coupling with the pyruvate kinase/lactate dehydrogenase system (e.g., Schindler et al. Science (2000) 289: 1938-1942). In this assay, the oxidation of NADH (thus the decrease at A340 nm) was continuously monitored spectrophometrically. The reaction mixture (100 .mu.L) contained FMS (purchased from Millipore) (10 nM), polyE4Y (1 mg/mL), MgCl.sub.2 (10 mM), pyruvate kinase (4 units), lactate dehydrogenase (0.7 units), phosphoenol pyruvate (1 mM), NADH (0.28 mM) and ATP (500 .mu.M) in 90 mM Tris buffer containing 0.2% octyl-glucoside and 1% DMSO, pH 7.5. The inhibition reaction was started by mixing serial diluted test compound with the above reaction mixture. The absorption at 340 nm was monitored continuously for 4 hours at 30.degree. C. on Synergy 2 plate reader.
7201	2	In Vitro Receptor Tyrosine Kinase Assay	These tests measure the ability of compounds to inhibit the enzymatic activity of recombinant human c-Met/HGF receptor and VEGF receptor enzymatic activity. A 1.3-kb cDNA corresponding to the intracellular domain of c-Met or c-Met IC (Genbank accession number NP000236-1 amino acid 1078 to 1337) is cloned into the BamHI/XhoI sites of the pBlueBacHis2A vector (Invitrogen) for the production of a histidine-tagged version of that enzyme. This construct is used to generate recombinant baculovirus using the Bac-N-Blue system according to the manufacturer's instructions (Invitrogen). The c-Met IC protein is expressed in Hi-5 cells (Trichoplusia Ni) upon infection with recombinant baculovirus construct. Briefly, Hi-5 cells grown in suspension and maintained in serum-free medium (Sf900 II supplemented with gentamycin) at a cell density of about 2x106 cells/ml are infected with the above-mentioned viruses at a multiplicity of infection (MOI) of 0.2 during 72 hours at 27 C.
7206	1	MenE-MenB Coupled Assay	Enzyme inhibition studies were performed in 20 mM NaHPO4 buffer (pH 7.4) containing 150 mM NaCl and 1 mM MgCl2 using a MenE-MenB coupled assay in whichMenE is rate-limiting. IC50 values were determined in reaction mixtures containing OSB (60 &#956;M), ATP (240 &#956;M), CoA (240 &#956;M), mtMenB (2.5 &#956;M), and varying inhibitor concentrations (5-250 &#956;M). Reactions were initiated by addition of ecMenE (50 nM), and the production of DHNACoA was monitored at 392 nm (&#949;392 = 4000 M-1 cm-1).
7207	1	Kinase Inhibition Assay	For kinase inhibition assays, the final concentrations of the enzymes were 15, 14.5, 14.5, and 8.8 nM for CLK1, CLK2, CLK3, and Dyrk1A (Invitrogen, catalog no. PV3785), respectively. The compound concentrations ranged from 15503 to 121 nM and from 1550 to 12 nM. The RS domainderived peptide (GRSRSRSRSR) (Anaspec, catalog no. 61722) for CLK1 and CLK3, Dyrktide (RRRFRPASPLRGPPK) (Anaspec, catalog no. 62698) for Dyrk1A, and S6K peptide for CLK2 were used as substrates at a concentration of 5 &#956;M.
7208	1	Steady-State Kinetics	Initial rates of amine oxidation were routinely measured by monitoring oxygen consumption in 0.1 M Hepes (pH 8.0) and 0.1 M NaCl at 25 °C using an oxygen electrode (model 5300A, Yellow Springs Instruments, Yellow Springs, OH). With (R,S)-6-hydroxynicotine and (S)-6-hydroxynornicotine, the concentration of enzyme was typically 0.1 &#956;M; this was increased to 4 &#956;M for (S)-nicotine and (R,S)-4-(1-methyl pyrrolidine-2-yl)phenol. The concentration of oxygen was varied by bubbling the desired concentration of oxygen (62 &#956;M to 1.25 mM) into the oxygen electrode cell for &#8764;10 min.
7209	1	FabZ Inhibition Assay	The enzymatic activities of FtFabZ and YpFabZ were determined via the reportedspectrophotometric method using the substrate analogue crotonoyl-CoA.7 Initial reaction velocities were determined by monitoring the decreasing absorbance at 280 nm, resulting from the conversion of crotonoyl-CoA to beta-hydroxybutyryl-CoA. The conversion of hydroxybutyryl-CoA to crotonoyl-CoA was not used in our assay. An extinction coefficient of 3600 s-1 cm-1, corresponding to the hydration of the enoyl double bond, was used to convert absorbance readings to substrate concentrations.20 Reactions were performed using a Beckman-Coulter DU730 UV/vis spectrophotometer. Reaction volumes of 100 uL were prepared in a buffer solution consisting of 2.0 ug of FtFabZ or 0.5 ug of YpFabZ, 20 mM Tris, pH 7.0. Allreactions were performed at 25 C. Inhibition reactions for IC50 calculations wereperformed under similar conditions with a fixed concentration of 100 uM crotonoyl-CoA.
7210	1	In vitro Enzymatic Activity Assays	In vitro enzymatic activity assays were performed as previously described. The15-mer ssRNA (5'-CUUGUCA(m6A)CAGCAGA-3') was used as a substrate to evaluate the demethylase activity of FTO. All the reactions were carried out in 50 uL of buffer containing 50 mM Tris-HCl pH 7.5, 2.0 uM ssRNA, 2.0 nM FTO, 1.0 mM +/--KG, 280 uM (NH4)2Fe(SO4)2 and 2 mM L-ascorbic acid. CHTB with varying concentrations (1.00 uM, 4.00 uM, 8.00 uM, 16.00 uM, 32.00 uM, 40.00 uM, 64.00 uM, 84.00 uM,164.00 uM and 328.00 u M) were individually added to each reaction mixture and incubated at room temperature for 0.5 h. The reactions were quenched by heating for 5 min at 95 C. The ssRNA was digested by nuclease P1 (1 Unit) and NH4OAc(100 uM, 5 uL) at 42 C for 4 h, followed by the addition of NH4HCO3 (1.0 M, 5 uL), and alkaline phosphatase (0.5 Unit).
7211	1	In vitro Assay of alpha-Glucosidasee Inhibitory Activity	The test compounds were dissolved in DMSO to prepare the required distributing concentration. &#945;-Glucosidase inhibitory activity was assayed by using 50 mM phosphate buffer (pH 6.8) at 37 °C. The enzymatic reaction mixture composed of 20 µL &#945;-glucosidase (0.2 U), 10 µL of various concentrations of test compounds and 140 µL of phosphate buffer was incubated at 37 °C for 10 min. Then 0.5 mM p-nitrophenyl &#945;-D-glucopyranoside (30 µL) was added to the mixture as a substrate. After further incubation at 37 °C for 30 min. The absorbance was measured spectrophotometrically at 405 nm. The sample solution was replaced by DMSO as a control. Acarbose was used as a positive control. All experiments were carried out in triplicates.
7212	1	Urease Inhibition Assay	To understand the binding modes of the compounds given in Table 1, all ligands were docked into the binding site of Urease enzyme. The top ranked conformations of each ligand were saved in a separate database for further evaluation. The docking results well correlated with the experimental results. The reaction mixtures, comprising 25 uL of enzyme (jack bean urease, Sigma aldrich) solution and 55 uL of buffers containing 100 mM urea, were incubated with 5 uL of the test compounds (0.5 mM concentration) at 30 &deg;C for 15 min in 96-well plates. For the kinetics assessment the urea concentrations were changed from 2 to 24 mM. Urease activity was determined by measuring ammonia production using the indophenol method as described by Weatherburn. Briefly, 45 uL of phenol reagent (1% w/v phenol and 0.005% w/v sodium nitroprusside (Sigma Aldrich)) and, 70 uL of alkali reagent (0.5% w/v NaOH (Sigma Aldrich) and 0.1% active chloride NaOCl (Sigma Aldrich)) were added to each well. The increasing absorbance at 630 nm was measured after 50 min, using a microplate reader (Molecular Device, USA). All reactions were performed in triplicate in a final volume of 200 uL. The results (change in absorbance per min) were processed by using SoftMax-Pro software (molecular Device, USA). The entire assays were performed at pH 6.8.
7213	1	Kinase-Glo Plus Luminescence Kinase Assay	Kinase activity was determined using Kinase-Glo Plus luminescence kinase assay kit according to the manufacturer instructions. The assays depend on the quantitation of the amount of ATP remaining in the solution of kinase reaction.
7214	1	Urease Inhibition Assay	Reaction mixtures comprising one unit of urease enzyme (B. pasteurii) solution and 55 uL of buffers containing 100 mMol urea were incubated with 5 uL of test compounds (1 mMol concentration) at 30&deg; C for 15 min in 96-well plates. Urease activity was determined by measuring ammonia production using the indophenol'smethod. Momentarily, 45 uL each of phenol reagent and 70 uL of alkali reagent were added to each well. The increasing absorbance at 630 nm was measured after 50 min, using a micro-plate reader (Molecular Devices, USA). All reactions were performed in triplicate in a final volume of 200 uL. The results (change in absorbance per min.) were processed by using the Soft-Max Pro s4.5.Software (Molecular Devices, USA).
7215	1	PEPCK Assay (OAA to PEP-allosteric)	Allosteric binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM GTP, 1 mM ADP, 187.5 &#956;M NADH, 45 units of LDH, 50 &#956;g of PK, 0.2 mM MnCl2, and (&#8764;1&#8722;2 &#956;g) of PEPCK. The assay mixture was incubated for 5 min at 25 °C and the reaction started with the addition of OAA to a final concentration of 350 &#956;M. A second reaction without PEPCK was run simultaneously to account for the spontaneous decarboxylation of OAA. Inhibition assays with MPA were conducted under both variable OAA and variable GTP concentrations. When the GTP concentration was varied, MgCl2 concentrations were also varied to keep a constant 4:1 metal:nucleotide ratio.
7215	2	PEPCK Assay (OAA to PEP)	OAA/PEP binding site. The activity of PEPCK in the direction from OAA to PEP was assayed with 50 mM HEPES (pH 7.5), 10 mM DTT, 4 mM MgCl2, 0.5 mM GTP, 1 mM ADP, 187.5 &#956;M NADH, 45 units of LDH, 50 &#956;g of PK, 0.2 mM MnCl2, and (&#8764;1&#8722;2 &#956;g) of PEPCK. The assay mixture was incubated for 5 min at 25 °C and the reaction started with the addition of OAA to a final concentration of 350 &#956;M. A second reaction without PEPCK was run simultaneously to account for the spontaneous decarboxylation of OAA. Inhibition assays with MPA were conducted under both variable OAA and variable GTP concentrations. When the GTP concentration was varied, MgCl2 concentrations were also varied to keep a constant 4:1 metal:nucleotide ratio.
7215	3	PEPCK Assay (PEP to OAA-allosteric)	Allosteric binding site. When the enzyme was assayed in the direction of PEP &#8594;OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2mMMnCl2, 10mMDTT, 0.5mMGDP, 2mMPEP, 187.5 &#956;M NADH, 50 mM KHCO3, and 11 units of MDH. The reaction proceeded at 25 °C and was started with the addition of PEPCK (&#8764;1&#8722;2 &#956;g). Mutants were assayed as previously described with the exception that ~30 &#956;g of enzyme was used to initiate the assay.14 Inhibition assays with MPA were conducted with varying concentrations of PEP with a fixed GDP concentration of 500 or 25 &#956;M. Inhibition assays against GDP were conducted at a fixed concentration of PEP of 2 or 5 mM. Assays that did not contain MPA were conducted with methanol present at the identical concentration as a blank.
7215	4	PEPCK Assay (PEP to OAA)	OAA/PEP binding site. When the enzyme was assayed in the direction of PEP &#8594;OAA, the standard reaction mixture contained 50 mM HEPES (pH 7.5), 2mMMnCl2, 10mMDTT, 0.5mMGDP, 2mMPEP, 187.5 &#956;M NADH, 50 mM KHCO3, and 11 units of MDH. The reaction proceeded at 25 °C and was started with the addition of PEPCK (&#8764;1&#8722;2 &#956;g). Mutants were assayed as previously described with the exception that ~30 &#956;g of enzyme was used to initiate the assay.14 Inhibition assays with MPA were conducted with varying concentrations of PEP with a fixed GDP concentration of 500 or 25 &#956;M. Inhibition assays against GDP were conducted at a fixed concentration of PEP of 2 or 5 mM. Assays that did not contain MPA were conducted with methanol present at the identical concentration as a blank.
7216	1	null	Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at about the time of slaughter from a food-processing company) and immediately placed in ice cold 15 mM KH2PO4/250 mM sucrose (pH 7.4) and kept on ice during transportation. A 10 g sample of liver is minced and homogenized in 30 mL of homogenization buffer (15 mM KH2PO4/250 mM sucrose) using a Tekmar homoginizer or equivalent by pulsing 3 times with 20 second pulses. This procedure is repeated for a total of 8x10 g samples of pig liver. The remaining pig liver may be stored at -80 C. The homogenates from the 8 samples are pooled and centrifuged at 13,000xg for 20 minutes at 4 C. to remove crude debris. The supernatant is further centrifuged at 100,000xg for 70 minutes at 4&deg; C. The microsomal pellets are re-suspended into 50 mL of 150 mM KH2PO4/1 mM DTT (pH 7.4) and 1 mL aliquots are stored at -80 C.100-150 ug of pig liver microsomal protein in 150 mM KH2PO4 is incubated at 37&deg; C.
7216	2	null	A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs.
7217	1	Enzymatic assay	The assay is based on the method described by Jordan (Shoolingin-Jordan P M et al. (1997). Methods in enzymology 281: 327-336) with some modifications. 10 uL of porphobilinogen deaminase (PBGD) at a concentration of 150 uM in 48 uL of buffer (20 mM Tris-HCl pH 8.0, NaCl 150 mM) is preheated at 37 C. for two minutes. If the assay is performed in the presence of an inhibitor, the latter is added in dissolved form into the buffer. 25 uL of the porphobilinogen (PBG) substrate are then added, diluted to different concentrations (0.15, 0.3, 0.45, 0.6, 0.9, 1.2, 1.5, 1.8, 2.1, 2.4, 2.7, 3, 3.3, 3.9 mM) in the aforementioned buffer and are incubated at 37 C. for five minutes. A control assay containing a buffer without substrate (PBG) in the same proportions is performed at the same time. The enzymatic reaction is stopped by means of freezing the samples in liquid nitrogen. Then the mixture is incubated again with 6 uL of 25 mM uroporphyrinogen 3 synthase (U3S).
7218	1	Histamine H1 Receptors Binding Assay	Affinities of the test compounds for peripheral human histamine H-1-receptors were assessed using receptor-binding assays. The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determined in the presence of excess unlabeled ligand. [3H]-histamine was used as the ligand in this study and the affinity values were determined according to the Cheng-Prusoff equation.
7219	1	HTRF Assay	The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and substrate. The PDE enzymes concentration ranged from 10 pM-250 pM, depending on each enzyme&#39;s specific activity. The substrate cyclic nucleotide (cAMP or cGMP) concentration used in the assay was 20 nM for PDE10, and 100 nM for other PDEs. The inhibitory effect of compound was determined by incubating various concentration of inhibitor in the enzymatic assay. Typically, compound was serial diluted in DMSO then further diluted in assay buffer. Next, the compound at varying concentration was mixed with PDE enzyme. The reaction was initiated by addition of cyclic nucleotide substrate, and incubated for 60 minutes at 29° C. The reaction was stopped by addition of lysis buffer from assay kit. The cAMP-d2 and anti-cAMP cryptate in the lysis buffer detected the level of cAMP left from the PDE hydrolysis reaction. 
7220	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 um in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The "voltage clamp" mode was used to assess the compound's IC50 holding the cells at -60 mV. In addition, the "current clamp" mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections.
7221	1	CB1 Receptor Binding Protocol	8 ug of membranes (20 ul of 1:8 dilution in incubation buffer) was incubated with 5 ul of drug solution (10E-4M to 10E-12M) and 5ul of 5.4 nM [3H]CP55,940 in a total volume of 200 ul for 90 mins at 30 C. Non-specific binding was determined using 10 uM WIN55,212-2 (Ki=4.4 nM). The membranes were filtered and the filters washed 7x with 0.2 ml ice-cold incubation buffer and allowed to air dry under vacuum.
7221	2	CB2 Receptor Binding Protocol	15.3 ug of membranes (20 ul of 1:20 dilution in incubation buffer) was incubated with 5 ul of drug solution (10E-4M to 10E-12M) and 5ul of 5.4 nM [3H]CP55,940 in a total volume of 200 ul for 90 mins at 30 C. Non-specific binding was determined using 10 uM WIN55,212-2 (Ki=4.4 nM). The membranes were filtered and the filters washed 7x with 0.2 ml ice-cold incubation buffer and allowed to air dry under vacuum.
7222	1	P70S6K Enzyme Assay	P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) is mixed with 24 uM ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 uM of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction is incubated for 90 min at 25&deg; C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide is analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of -1.4 psi, and upstream and downstream voltages of -3000 and -700 respectively. Product peaks are resolved before substrate peaks on the resulting chromatograms.
7223	1	In vitro Kinase Assay	The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from PerkinElmer. The ADP-Glo Kinase Assay (including ultra pure ATP) was purchased from Promega (V9103). Activated MNK2a was obtained as described in WO2011/104340. The unlabeled eIF4E peptide (NH2-TATKSGSTTKNR-CONH2), differing from Seq. ID No. 5 of WO 2011/104340 by the C-terminal CONH2 group, was purchased from Thermo Fisher Scientific. All other materials were of highest grade commercially available. Compounds are tested in either serial dilutions or single dose concentrations. The compound stock solutions are 10 mM in 100% DMSO The serial compound dilutions are prepared in 100% DMSO followed by 1:27.3 intermediate dilution in assay buffer. The final DMSO concentration in assay will be <3%.
7223	2	In vitro Kinase Assay	The Z-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. The peptide substrate is labeled with two fluorophores one at each end that make up a FRET pair.In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine, serine or threonine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognizes and cleaves non-phosphorylated FRET-peptides. Phosphorylation of FRET-peptides suppresses cleavage by the Development Reagent. Cleavage disrupts FRET between the donor (i.e., coumarin) and acceptor (i.e., fluorescein) fluorophores on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET.
7224	1	Biological Assay	Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Avanti Polar Lipids) as the excipient. Vesicles were prepared by combining 285 uL, of 1 mM DMPG in a 1:1 mixture of MeOH and CHCl3 with 15 uL, of 1 mM A10070 in a 1:1 mixture of MeOH and CHCl3. The mixture was dried under nitrogen and resuspended in 150 uL, of 50 mM HEPES pH 8.0 buffer containing 100 mM NaCl and 0.2 mM EDTA. The sample was allowed to sit at rt for 15 min and then was sonicated 3x4 mins on ice with a Branson Sonicator using duty cycle 1. This preparation provides vesicles with a mole fraction of 0.05 for the FRET substrate.The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 uL, of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 2 ul of a DMSO solution containing compound of interest. Conditioned media obtained from HT-1080 cells.
7225	1	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37 &deg;C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 ml of Versene (Invitrogen 15040-066) for approximately 6 minutes at 37 &deg;C. and suspended in 10 ml of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 ml of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.
7226	1	Enzyme Assay	Test compounds (1.6 mM stock in DMSO) were diluted 3 fold in series in DMSO and 0.8 microliters per well were added into 384-well NBS microplates (Corning). Resorufin epoxide substrate (20 uM stock in DMSO) was diluted to 5 &#956;M with Assay Buffer (25 mM bis-Tris-HCl, pH 7.0, 1 mM DTT and 0.2 mg/ml BSA) and 8 microliters per well were added to the microplates. Thirty two microliters per well of 3.6 nM soluble epoxide hydrolase in Assay Buffer was then added. The samples were incubated at room temperature and assay signals were monitored by reading excitation at 530 nm and emission fluorescence at 590 nm on a PlateVision (Zeiss) reader every 2 minutes for 8 times.
7227	1	In vitro ATRA 4-Hydroxylase Activity Assay	All procedures were carried out under minimal light in order to prevent degradation of the retinoid samples.Microsomal preparation: one lobe of fresh pig liver was obtained at the time of slaughter from a food-processing company and immediately placed in ice cold 15 mM KH2PO4/250 mM sucrose (pH 7.4) and kept on ice during transportation. A 10 g sample of liver was minced and homogenized in 30 mls of homogenization buffer (15 mM KH2PO4/250 mM sucrose) using a Tekmar homoginizer by pulsing 3 times 20 second pulses. This procedure was repeated for a total of 8x10 g samples of pig liver. The remaining pig liver was cut into 10-g pieces and wrapped in aluminum foil and stored at -80 &deg;C. The homogenates from the 8 samples were pooled and centrifuged at 13,000xg for 20 minutes at 4 &deg;C. to remove crude debris and the supernatant was further centrifuged at 100,000xg for 70 minutes at 4 &deg;C. The microsomal pellets were resuspended into 50 mls of 150 mM KH2PO4/1 mM DTT (pH 7.4).
7227	2	In vitro CYP3A4 Inhibition Assay	Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity.
7228	1	Biochemical Assay	A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosphate buffer pH 6.8 with cofactor glutathione (GSH). Corresponding solutions without test compound were used as positive controls, and corresponding solutions without test compound and without microsomes were used as negative controls. The enzymatic reaction was then started by addition of the substrate PGH2 in an organic solution (dry acetonitrile).The typical reaction conditions of the enzymatic reaction were thus: Test compound: ranging from 60 uM to 0.002 uM, or zero in positive and negative controls; potassium phosphate buffer pH 6.8: 50 mM; GSH: 2.5 mM; mPGES-1-containing microsomes: 2 ug/mL (sample and positive controls) or 0 ug/mL (negative control); PGH2: 10.8 uM; Acetonitrile: 7.7% (v/v); DMSO: 0.6% (v/v). The reaction was stopped after one minute by adding an acidic solution (pH 1.9) of ferric chloride.
7230	1	P70S6K Enzyme Assay	P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) is mixed with 24 uM ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 uM of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction is incubated for 90 min at 25.degree. C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide is analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of -1.4 psi, and upstream and downstream voltages of -3000 and -700 respectively. Product peaks are resolved before substrate peaks on the resulting chromatograms.
7230	2	AKT Enzyme Assay	A TTP Mosquito liquid handling instrument is used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction components are added to a final volume of 12.5 .mu.l: 0.1 ng/.mu.l His-AKT (Full Length), (Invitrogen, Part # P2999, Lot #641228C). 160 uM ATP (Fluka, 02055) 1 mM DTT (Sigma, D0632) 1 mM MgCl2 (Sigma, M1028) 1 .mu.M substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2), synthesized by Tufts Peptide Synthesis service. 100 mM HEPES pH 7.5 (Calbiochem, 391338)0.015% Brij-35 (Sigma, B4184)The reaction is incubated for 90 min at 25 C, and then stopped by the addition of 70 .mu.l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)).The plate is read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure -2.3 psi, upstream voltage -500, and downstream voltage -3000.
7232	1	ORL-1 Receptor Binding Assay	Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Receptor Biology) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4 C. and pellets resuspended in hypotonic buffer to a final concentration 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of the ORL-1 receptor membranes were stored at -80 C.Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4).
7232	3	mu-Opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at about 25 &deg;C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 5004, of ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 uL/well).
7232	5	Alpha-Opioid Receptor Binding Assay	Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4 &deg;C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of kappa receptor membranes were stored at -80 &deg;C.Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 2004 binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4).
7232	7	Beta-Opioid Binding Assay	Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 ug membrane protein (recombinant delta opioid receptor expressend in CHO-K1 cells; Perkin Elmer) in a final volume of 500 uL binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 uM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25 &deg;C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 uL ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 1-2 hours. Fifty uL/well scintillation cocktail (MicroScint20, Packard) was added.
7232	2	ORL-1 GTPgammaS Binding Assay	Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like (ORL-1) (Receptor Biology) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4&deg; C., and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of the ORL-1 receptor membranes were stored at -80&deg; C. Functional binding assays were conducted as follows. ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.066 ug/uL ORL-1 membrane protein, 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]G IPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.
7232	4	Mu-Opioid GTPgammaS Binding Assay	[35S]GTP gamma S functional assays were conducted using freshly thawed mu-receptor membranes. Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTP gamma S (0.20 nM; NEN). The prepared membrane solution (1904/well) was transferred to 96-shallow well polypropylene plates containing 10 uL of 20x concentrated stock solutions of the agonist DAMGO ([D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin) prepared in DMSO. Plates were incubated for 30 min at about 25 C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Packard, Meriden, Conn.) using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by three filtration washes with 200 mL of ice-cold wash buffer.
7232	6	Alpha-Opioid Receptor GTPgammaS Functional Assay	Functional [35S]GTPgammaS binding assays were conducted as follows. Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/4 kappa membrane protein (in-house), 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 uL/well) was transferred to 96-shallow well polypropylene plates containing 10 xL of 20x concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25 C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Packard) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 uL ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 C.
7233	1	HDAC Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM tris(2-carboxyethyl)phosphine) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer and pre-incubated with the compounds for 24 hours prior to addition of the substrate.  The substrate tripeptide substrate 3 (synthesized in house) for each enzyme was equal to the Km as determined by a substrate titration curve. The enzyme and substrate concentrations used are given in Table 2. The substrates were diluted in assay buffer at 6x their final concentration with 0.3 uM sequencing grade trypsin (Sigma). The substrate/trypsin mix was added to the enzyme/compound mix, the plate was shaken for 60 seconds.
7234	1	Syk Kinase Inhibition Assay	The in vitro inhibitory activity of the compound of the present invention against Syk kinase activity was assayed under the following conditions: the purified human Syk protein used in the test were purchased from Carna Biosciences, Inc. For the inhibitory activity assay on the compound, the compound of the present invention was first serially diluted with dimethyl sulfoxide (DMSO). Next, the purified human Syk protein FL-Peptide 22 (final concentration: 1 uM) (Caliper Life Sciences, Inc.), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 30 uM), and each DMSO solution of the compound of the present invention (final concentration of DMSO: 5%) were added into a buffer solution for reaction (20 mM tris-HCl pH 7.5, 20 mM NaCl, 2.5 mM DTT, 0.02% Tween-20, 1% glycerol, 0.01 mM Pefabloc), and the mixture was then incubated at 25&deg; C. for 30 minutes to perform kinase reaction. The kinase reaction was stopped by the addition thereto of EDTA.
7234	2	KDR Kinase Inhibition Assay	Conditions for assaying the in vitro inhibitory activity of the compound against KDR kinase activity were set with reference to the statement in the LabChip.TM. series reagent supplies price list of Caliper Life Sciences, Inc. that FL-Peptide 22 is adaptable as a substrate peptide to KDR kinase activity assay. The purified recombinant human KDR protein used in the test is a house purified product. For the inhibitory activity assay on the compound, the compound of the present invention was first serially diluted with dimethyl sulfoxide (DMSO). Next, the purified human KDR protein FL-Peptide 22 (final concentration: 1.5 uM), magnesium chloride (final concentration: 10 mM), ATP (final concentration: 200 uM), and each DMSO solution of the compound of the present invention (final concentration of DMSO: 5%) were added into a buffer solution for reaction (100 mM HEPES pH 7.5, 1 mM DTT, 0.003% Brij 35, 0.04% Tween-20, 0.05% CHAPSO) supplemented with a phosphatase inhibitor cocktail.
7235	1	Trans-Phosphorylation Assay	Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P gamma ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange Dowex resin; the resin then settles down to the bottom of the reaction plate by gravity. Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by beta-counting. Reagents/Assay Conditions Dowex Resin Preparation 500 g of wet resin (SIGMA, custom prepared resin DOWEX 1.times.8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.
7235	2	Kinase Inhibition Assay	Method for PIM2 Kinase Inhibition Assay: Dowex Technique i. Kinase Buffer (KB)The buffer for PIM2 assay was composed of HEPES 50 mM, at pH 7.5, with 1 mM MgCl2, 1 mM DTT, 3 uM Na3VO4, and 0.2 mg/mL BSA.Full-length human PIM2 was expressed and purified as described in Fedorov O, et al., PNAS 2007 104, 51, 20523-28 ii. Assay Conditions (Final Concentrations)Enzyme concentration=1.5 nMAktide substrate (Chemical Abstract Service Registry Number 324029-01-8)=5 uM ATP=4 uM. 33P gamma ATP=1 nM iii. Robotized Dowex AssaySee above: same procedure as described for PIM1.
7236	1	BACE1 HTRF FRET Assay	A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contained an N-terminal QSY7 moiety that served as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence was low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors was manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul were preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0.
7236	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1x BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO were pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1x BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30 C. The assay was initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1x BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C.
7237	1	Biochemical Assay	Using the method described in US9149477, Example 2, compounds of the invention were tested for inhibitory activity and potency against PI3K&#948;, and for selectivity for PI3K&#948; versus other Class I PI3K isozymes. The initial selectivity assays were performed identically to the selectivity assay protocol in US9149477, Example 2, except using 100 &#956;L Ecoscint for radiolabel detection. Subsequent selectivity assays were done similarly using the same 3× substrate stocks except they contained 0.05 mCi/mL &#947;[32P]ATP and 3 mM PIP2. Subsequent selectivity assays also used the same 3× enzyme stocks, except they now contained 3 nM of any given PI3K isoform.
7238	1	Inhibition Assay	Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limited to the determination of the half maximal (50%) inhibitory concentration (IC) of a substance (i.e., 50% IC, or IC50), the binding affinity of the inhibitor (i.e., Ki), and/or the half maximal effective concentration (EC50) of the inhibitor for ACAT1 as compared to ACAT2. See, e.g., Lada, et al. (2004) J. Lipid Res. 45:378-386 and U.S. Pat. No. 5,968,749. ACAT1 and ACAT2 proteins that can be employed in such assays are well-known in the art and set forth, e.g., in GENBANK Accession Nos. NP-000010 (human ACAT1) and NP-005882 (human ACAT2). See also U.S. Pat. No. 5,834,283.
7241	1	Inhibition Assay	The compounds according to the invention are tested in a range of concentrations (4.9 nM to 5 µM final) and deposited in a proportion of 25 µl per well. After the deposition of 50 µl of Spectrozyme 229 substrate (American Diagnostica), at the final concentration of 625 µM, the reaction is triggered by the addition of 25 µl of FIXa (human factor IXa supplied by Enzyme Research Laboratories (ERL)), at the final concentration of 2.5 U/ml. Reading is carried out at 405 nm for 15 min at 37°C. The percentage of inhibition of enzymatic activity (expressed as maximum rate of cleavage of the substrate) is calculated with respect to the enzymatic activity in the absence of inhibitor. 
7242	1	Inhibition Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683)) was used. The cells were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37 C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 uM Fluo-3-AM solution (pH 7.5) containing 20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, and incubated at 37&deg; C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 40 uL of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.).
7243	1	SPA assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 &#956;l prepared from 7.5 &#956;l additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H-Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 &#956;l of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4° C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.
7239	1	Binding Assay	Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4&deg; C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4&deg; C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80&deg; C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
7239	2	35S-GTPgammaS Binding	Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30&deg; C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
7245	1	Inhibition Assay	Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant human cathepsin L (R&D Systems, #952-CY). Briefly, cathepsin A was incubated at 10 ug/ml with cathepsin L at 1 ug/ml in activation buffer (25 mM 2-(morpholin-4-yl)-ethanesulfonic acid (MES), pH 6.0, containing 5 mM dithiothreitol (DTT)) for 15 min at 37&deg; C. Cathepsin L activity was then stopped by the addition of the cysteine protease inhibitor E-64 (N-(trans-epoxysuccinyl)-L-leucine-4-guanidinobutylamide; Sigma-Aldrich, # E3132; dissolved in activation buffer/DMSO) to a final concentration of 10 uM.The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay buffer containing (v/v) 3% DMSO) or, in the control experiments, with the vehicle in a multiple assay plate. After incubation for 15 min at room temperature.
7246	1	OX Inhibition Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 ug/mL G418, 100 U/mL penicillin, 100 ug/mL streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37 C. in 5% CO2.Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES.
7246	2	CYP3A4 Inhibition Assay	The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a total volume of 150 uL, 14C-testosterone at a final concentration of 40 uM in a 100 mM phosphate buffer (pH 7.4) was incubated in a 96-well plate with 0.3 mg/mL of human liver microsomes in an Eppendorf thermomixer at 37&deg; C. and 400 rpm. A 1.0 uL-aliquot of the 150-fold concentrated compound stock solution, prepared in DMSO, was added to yield final inhibitor concentrations of 0, 0.1, 0.5, 1.0, 5.0, 10, 25, and 50 uM. The reaction was initiated by addition of 15 uL of the NADPH-regenerating system containing the glucose-6-phosphate dehydrogenase and terminated after 7 min with a 75 uL-aliquot of methanol. After centrifugation at 465 g and 4&deg; C. for 20 min, a 50 uL-aliquot of the supernatant was submitted to HPLC according to the method described below.
7247	1	Kinase Glo Plus Assay	Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology, which uses a luciferin-luciferase based ATP detection reagent to quantify residual ATP. The assay is performed using 0.75 nM His-RSK2, 0.75 .mu.M ATP and 1.0 uM S6 Kinase/RSK Substrate Peptide 1 (Upstate, catalog #12-124), in assay buffer consisting of 25 mM HEPES, pH 7.5, 10 mM MgCl2, 5 mM MnCl2, 50 mM KCl, 0.2% BSA, 0.01% CHAPS, 100 uM Na3VO4, 0.5 mM DTT, and 1% DMSO. Solutions of test compounds at various concentrations are prepared by 1:3 fold serial dilution of a 1 mM solution of compound in DMSO. The DMSO solutions are further diluted with assay buffer to a final concentration of DMSO of 5%. The assay is performed in a 384 well, white, non-binding plate (Corning, catalogue #3574). Solutions of test compounds (10 uL) are transferred to a dry assay plate, followed by addition of 20 uL kinase.
7248	1	DELFIA Assay	The kinase activity is measured by DELFIA assay (dissociation-enhanced lanthanide fluorescence immunoassay, Perkin Elmer). The cytoplasmic kinase domain of human IGF-1R (amino acids 964-1370) is expressed as a fusion protein with a glutathione-S-transferase tag (IGF-1R-GST) in High Five.TM. Cells (Invitrogen). Enzyme activity is measured in the presence of substances and a control substance. Poly-glutamate-tyrosine peptide (pEY, Sigma Aldrich) and biotinylated pEY (bio-pEY) are used as reaction substrates.10 uL of substance in 25% DMSO are mixed with 30 uL of IGF-1R-GST solution (67 mM HEPES pH 7.4, 15 ug/mL pEY, 1.7 ug/mL bio-pEY, 13.3 mM MgCl2, 3.3 mM dithiothreitol, 0.0033% Brij 35, 2 ng IGF-1R-GST) in 96-well plates. The reactions are started with 10 uL of a 750 uM ATP solution. After 40 min at RT the reactions are stopped with 50 .mu.L of stop solution (250 mM EDTA, 20 mM HEPES pH 7.4). 90 uL from each reaction are transferred.
7249	1	Homogenous Time Resolved Fluorescence (HTRF) Assay	The homogenous time resolved fluorescence (HTRF) assay allows detection of 3,4,5-triphosphate (PIP3) formed as a result of phosphorylation of phosphotidylinositol 4,5-biphosphate (PIP2) by PI3K isoforms such as alpha, beta, gamma or delta PI3K isoform activity for alpha, beta, gamma or delta was determined using a PI3K human HTRF Assay Kit (Millipore, Billerica, Mass.) with modifications. All incubations were carried out at room temperature. Briefly, 0.5 ul of 40x inhibitor (in 100% DMSO) or 100% DMSO were added to each well of a 384-well black plate (Greiner Bio-One, Monroe, N.C.) containing 14.5ul 1x reaction buffer/PIP2 (10 mM MgCl2, 5 mM DTT, 1.38 uM PIP2) mix with or without enzyme and incubated for 10 min. After the initial incubation, 5 ul/well of 400 uM ATP was added and incubated for an additional 30 minutes. Reaction was terminated by adding 5 ul/well stop solution (Millipore, Billerica, Mass.).
7250	1	Inhibition Assay	The Ki values for the inhibition of [3H]epibatidine binding at the &#945;4&#946;2 nAChR in male rat cerebral cortex for compounds are listed in Table A. The binding assays were conducted and the Ki values calculated as described in Carroll, F. I. et al., "Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2-exo-2-(2&#39;,3&#39;-disubstituted 5&#39;-pyridinyl)-7- azabicyclo[2.2.1]heptanes: epibatidine analogues." J. Med. Chem. 2002, 45, 4755-4761.
7250	2	Inhibition Assay	Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding assays were conducted and the Ki values calculated as described in Carroll, F. I. et al., "Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2-exo-2-(2&#39;,3&#39;-disubstituted 5&#39;-pyridinyl)-7- azabicyclo[2.2.1]heptanes: epibatidine analogues." J. Med. Chem. 2002, 45, 4755-4761.
7251	1	CETP In Vitro Assay	CETP inhibitory activity of compounds of the present invention can be determined in a fluorometric assay purchased from Roar Biomedical, Inc. (New York, N.Y., USA). The compounds of the present invention inhibit CETP-dependent cholesterol ester transfer from HDL to LDL as described here. Recombinant human CETP was partially purified from medium conditioned by CETP expressing CHO cells. In a 384 well format 2.5 ul of compound solution in DMSO was combined with 2 ul of donor solution, 2 ul of acceptor solution and 0.8 ul of recombinant human CETP solution in a total volume of 100 ul with assay buffer and incubated for 3 hours at 37&deg; C. The fluorescence intensity was measured at excitation wavelength of 485 nm and emission wavelength of 535 nm.
7254	1	Enzyme Inhibition Assay	Measurements were performed using a modification of the scintillation proximity assay platform described previously by Georgopapadakou, N. H. et al. (22nd International Congress on Chemotherapy, 2001, Abstract P16.001). Compounds were solubilised in DMSO at a top concentration of 10 mM and serially diluted in half log steps to achieve a range of final assay concentrations of 100 uM to 1 nM. Compound at each concentration (100-fold final) was added to white 384 well plates in a volume of 0.5 ml. Human, A. fumigatus, T. brucei or L. major N-myristoyl transferase enzyme, dissolved to a working concentration of 10 nM in assay buffer (30 mM Tris/HCl pH 7.4, 0.5 mM EGTA, 0.5 mM EDTA, 1.25 mM DTT, 0.1% Triton X-100), was then added to columns 1 to 11 and 13 to 23 of the plates in a volume of 20 ml. To columns 12 and 24, 20 ml assay buffer was added to provide a no enzyme control. Following a 5 minute incubation at room temperature the substrates (GCGGSKVKPQPPQAK(Biotin)-Amide and myristoyl coenzyme A), dissolved in assay buffer, were added to all wells in a volume of 20 ml to start the reaction. The final concentrations of peptide and 3H-myristoyl coenzyme A were 0.5 mM and 125 nM respectively and the specific activity of the radiolabel was 8 Ci/mmol. Plates were then incubated at room temperature for up to 50 minutes (dependant upon the period of linearity for the different enzyme species) before SPA beads, suspended to 1 mg/ml in a stop solution (200 mM Phosphoric Acid/NaOH pH 4, 750 mM MgCl2), were added in a volume of 40 ml.
7255	1	Competition Binding Assays	Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30 nM, 100 nM, 300 nM, 1 &#956;M, 3 &#956;M, 30 &#956;M, and DMSO) or single compound dose (5 &#956;M) for 45 min at 4 °C. This preincubation step was followed by incubation with kinobeads (35 &#956;L settled beads). Bound proteins were eluted with LDS sample buffer (NuPAGE,Invitrogen) containing 50 mM DTT. For the calculation of a correction factor, the flowthrough of the DMSO control was incubated with fresh beads for a second time (pulldown of pulldown).
7256	1	Invitrogen SelectScreen Enzymatic Assay	The enzymatic assay was performed using the LifeTechnology SelectScreen.
7257	1	Isothermal Titration Calorimetry (ITC)	ITC titrations were performed using an ITC200 instrument (Microcal Inc.,Malvern). DMSO stock solutions (20 mM) of fragments were diluted 1:20 (v/v) into ITC titration buffer (50 mM tricine, 2 mM MnCl2, pH = 8.5) to give a 1 mM final compound concentration at 5% (v/v) DMSO. Aliquots of the same buffer batch (stored at &#8722;253 K) were used as for protein storage to avoid a buffer mismatch. H6PqsE was diluted in the same buffer to 100 &#956;M, and DMSO concentration was adjusted to 5% (v/v). Titrations were carried out at 298 K using 19 injections of 2 &#956;L every 180 s. Areas under the peaks were integrated. Baseline peaks at the endof a titration accounting for the heat of dilution and mixing were subtracted from the measurement. Data were fitted to a 1:1 binding model (MicroCal Origin 7 software).
7258	1	TG Activity Assays	For measurement of TG2 activity, the incorporation of biotinylated cadaverineinto immobilized N,N-dimethylcasein was used as described previously (Wanget al., 2012). For determination of the activity of TG1, TG3, TG6, and FXIIIa, commercial microassays were used (TG-CovTest; Covalab) (Hitomi et al., 2009), according to the manufacturer&#39;s instructions. For comparable purposes, a number ofTG2 assays were also undertaken using this assay. Briefly, TG-specific biotinylated peptides, including pepF11KA (FXIII pre-activated with thrombin),pepK5 (TG1), pepT26 (TG2), pepE51 (TG3), or pepY25 (TG6) (Hitomi et al., 2009; Fukui et al., 2013) were incubated with suitable TG family members in the presence of polyamine substrates immobilized onto 96-well microplates. The incorporated biotinylated peptides were measured using horseradish peroxidase-conjugated streptavidin and then measured using o-phenylenediamine dihydrochloride substrates. The absorbance was measured at 490 nm using a microplat
7259	1	Fluorescent Imaging Plate Reader (FLIPR) Assay	Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by Fluorescent Imaging Plate Reader (FLIPR&reg;) technology available from Molecular Devices, LLC, U.S.A. Orexin mediated increases in intracellular Ca2+ concentration were readily detected upon activation with orexin-A. Twenty-four hours prior to the assay, RBL-2H3 cells stably expressing either human orexin receptor 1 or human orexin receptor 2 were seeded in cell culture medium in black, clear-bottom 384-well plates (commercially available from Corning Inc., U.S.A.) and grown overnight at 37 &deg;C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (commercially sold by Molecular Devices, LLC, U.S.A.) for 1 hour at 37 &deg;C., 5% CO2.
7261	1	In Vitro Enzyme Inhibition Assay	The inhibition of PI3K-beta, PI3K-alpha, PI3K-gamma and PI3K-delta was evaluated in a Kinase Glo based enzyme activity assay using human recombinant enzymes. Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3K enzyme was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 mM DTT, and 10 mM magnesium chloride) and allowed to preincubate with compound for 20 minutes prior to addition of substrate solution containing PIP2 and ATP. The enzyme reaction was stopped after 80 minutes by the addition of Kinase Glo detection solution containing Lucferin and Luciferase (from Kinase Glo&reg; Plus Luminecent Kinase Assay kit (Promega #V3772). Plates were left for 30 minutes at room temperature then read on a Pherastar Instrument with a standard Luminescence filter block. The final concentration of DMSO, ATP and PIP2 in the assay were, 1%, 8 uM, and 80 uM respectively.
7262	1	Malachite Green Assay	Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyvinyl alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37° C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction. The plate is read by an ELISA reader with an absorbance at 620 nm.
7263	1	Lantha Screen Technology Assay	LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incubated with a fluorescein-labeled peptide substrate based upon ezrin/radixin/moesin (ERM), also known as LRRKtide (Invitrogen cat #PR8976A), in the presence of a dose response of compound. Upon completion, the assay was stopped and detected with a terbium labeled anti-phospho-ERM antibody (Invitrogen, cat #PR8975A). The assay was carried out under the following protocol: 3 uL of a working solution of substrate (233 nM LRRKtide, 117 uM ATP) prepared in assay buffer (50 mM HEEPES, pH 7.5, 3 mM MgCl2, with 2 mM DTT and 0.01% Brij35 added fresh) was added to a low volume Greiner 384-well plate. The compound dose response was prepared by diluting compound to a top concentration of 3.16 mM in 100% DMSO and serial diluted by half-log in DMSO 11 times. Aliquots (3.5 uL) of the 100% DMSO dose response were mixed with 46.5 uL water.
7264	1	Fluorometric Assay	The utility of the compounds in accordance with the present invention as inhibitors of dipeptidyl peptidase-IV enzyme activity may be demonstrated by methodology known in the art. Inhibition constants are determined as follows. A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 uM; kcat=75 s-1; kcat/Km=1.5x106 M-1s-1. A typical reaction contains approximately 50 pM enzyme, 50 uM Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 uL. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 uM AMC is produced in 30 minutes at 25 degrees C.
7265	1	Kinase Activity	The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal type and B-RAF.sup.V600E using Kinase Profiling Service (Invitrogen, U.S.) according to the manufacturer&#39;s instructions. The levels of enzymatic inhibition of the compounds were calculated as percent inhibition at various concentrations.
7265	2	Kinase Activity	The compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Service (Invitrogen, U.S.). 
7266	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 &#956;M (2× starting concentration; 10% DMSO) and 10 &#956;L were transferred into a 384-well plate. Then 10 &#956;L of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters.
7267	1	Inhibition Assay	In the following Examples, 0.9 mL aliquots of a solution of candidate inhibitor in 100 mM potassium phosphate buffer, pH 7.2 was mixed bovine plasma amine oxidase (0.1 mL, about 8 AM) and incubated at 30&deg; C. aerobically. Aliquots (0.1 mL) were periodically withdrawn using disposable calibrated Drummond micropipettes and diluted with 1.0 mL of benzylamine (5 mM in 50 mM sodium phosphate buffer, pH 7.2) in a 1 cm quartz cuvette (1.5 mL volume). The rate of oxidation of benzylamine to benzaldehyde was measured by recording the increase in absorbance at 250 nm for 1 minute and compared to the rate of benzylamine oxidation in a companion control solution of enzyme without inhibitor. The concentration of active BPAO was estimated from the rate of benzylamine oxidation. Inhibitory potency values (IC50 values) and partition values for inactivation of BPAO were measured at various times as in indicated in the Tables.
7268	1	Inhibition Assay	Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (American Diagnostica Inc.; 500 West Avenue, Stamford, Conn. 06902 USA; Pr. No. 299F) and human factor IXa (American Diagnostica Inc.; Pr. No. 449b). Test substances dissolved in buffer A (50 mM &#945;,&#945;,&#945;-tris (hydroxymethyl)methylamine (Tris), 100 mM NaCl, 5 mM CaCl2, 15% (v/v) ethylene glycol, pH 8.0) were mixed with factor IXa (2.0 &#956;g/ml final concentration). The enzyme reaction was started by addition of SPECTROFLUOR FIXa (100 &#956;M final concentration). After incubation for 60 minutes at room temperature, the reaction was stopped by the addition of 20% (v/v) acetic acid solution, and then fluorescence value measured (Excitation Wavelength:355 nm, Emission Wavelength; 460 nm) in a microtiter plate reader (ARVO 1420 Multilabel Counter; PerkinElmer).
7269	1	Kinome-Wide Inhibitor Profiling	Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 &#956;M against a panel of 124 wt kinases.
7269	2	End Point Fluorescence Assay	Reaction volumes of 50 &#956;L were used in 96-well plates. Buffer A (1×, 34 &#956;L; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, followed by 15 &#956;L ofenzyme (3.3× concentration) in buffer A with 3-fold dilutions (typically, 125 nM and 42, 14, 4.6, 1.5, 0.5, 0.17, 0.06, 0.02, 0.01, and 0 &#956;M final well concentrations in buffer A). Then, 1 &#956;L of a 500 nM stock of the appropriate dasatinib analogue BODIPY probe in DMSO was added (2% DMSO final). Wells were incubated at rt for 30 min prior to end point read (ex/em 485/535 nm). Reactions had final concentrations of 10 nM BODIPY-probe, 100 mM Tris buffer (pH 8),and 10 mM MgCl2.
7269	4	Kinome-Wide Inhibitor Profiling for Phosphorylated c-Abl	Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 &#956;M against phosphorylated c-Abl.
7270	1	Radioligand Binding Assay	Membranes prepared as above were resuspended to 1 ug protein/ul (measured by Bradford assay using BSA as standard), and 50 ul were added to each well of a polypropylene 96-well plate containing (per well): 50 ul of buffer (20 mM HEPES, 10 mM MgCl2, 1 mM EDTA, 1 mM EGTA, 100 mM N-methyl-D-gluconate, pH 7.4), 50 ul of 1.5 nM [3H]N-methylspiperone (final concentration 0.3 nM) and reference or D2 test ligand at various concentrations ranging from 50 uM to 50 uM (final concentrations ranging from 10 uM to 10 uM, triplicate determinations for each concentration of D2 test ligand). After a 1.5-hr incubation in the dark at room temperature, the reactions were harvested onto 0.3% PEI-soaked Filtermax GF/A filters (Wallac) and washed three times with ice-cold 50 mM Tris, pH 7.4 using a Perkin-Elmer Filtermate 96-well harvester. The filters were subsequently dried, placed on a hot plate (100&deg; C.), and Melitilex-A (Wallac) scintillant was applied.
7270	2	cAMP GloSensor Assay	HEK293T cells co-expressing the cAMP biosensor GloSensor-22F (Promega) and hD2 receptors were seeded (10,000 cells/20 ul/well) into white, clear-bottom, tissue culture plates in HBSS, 10% FBS, 20 mM HEPES, pH 7.4. After a one- to two-hour recovery, cells were treated with 10 ul of 3x test or reference drug prepared in HBSS, 10% FBS, 20 mM HEPES, pH 7.4. After 30 minutes, cells were challenged with 10 ul of 1,200 nM (4x) isoproterenol in 8% (4x) GloSensor reagent. Luminescence per well per second was read on a Wallac TriLux microbeta plate counter. Data were normalized to the isoproterenol response (100%) and the maximal quinpirole-induced inhibition thereof (0%) and regressed using the sigmoidal dose-response function built into GraphPad Prism 4.0. Notably, HEK293T cells expressing the GloSensor-22F alone (no hD2) were assayed in parallel and displayed no inhibition of isoproterenol-stimulated cAMP.
7270	3	Beta-Arrestin Recruitment (Tango) Assay	Recruitment of &#946;-arrestin to agonist-stimulated D2 receptors was performed using a previously described Tango-type assay (Barnea et al., Proc. Natl. Acad. Sci. USA 105:64 (2008)). Briefly, HTLA cells stably expressing &#946;-arrestin-TEV protease and a tetracycline transactivator-driven luciferase were plated in 15-cm dishes in DMEM containing 10% fetal bovine serum and transfected (via calcium phosphate) with 20 &#956;g of a D2V2-TCS-tTA construct (Barnea et al., Proc. Natl. Acad. Sci. USA 105:64 (2008)). The next day, cells were plated in white, clear-bottom, 384-well plates (Greiner, 10,000 cells/well, 50 &#956;l/well) in DMEM containing 1% dialyzed fetal bovine serum. The following day, the cells were challenged with 10 &#956;l/well of reference agonist (6 &#956;M) or D2 test ligand (6 &#956;M)±reference agonist prepared in HBS, 20 mM HEPES, pH 7.4, 18% DMSO (final ligand concentrations were 1 &#956;M, final DMSO concentration was 3%).
7270	4	pERK High-Content Assay	Cell Culture: Chinese Hamster Ovary (CHO) cells stably expressing the hD2L dopamine receptor (Urban et al., Neuropsychopharmacology 32:67 (2007)) were maintained in Ham's F12 medium supplemented with 10% fetal bovine serum, 100 U/mL penicillin, 100 ug/mL streptomycin, and 0.5 ug/ml G418. On day 1 of the assay, cells were seeded onto black clear-bottom tissue culture-treated 96-well plates (Greiner, BioOne). On day 2 of the assay, cells were washed with serum-free medium (Ham's F-12, penicillin and streptomycin) and incubated in 100 uL serum-free medium overnight.Immunofluorescence: Automatic multichannel pipetters were used for liquid handling and multichannel vacuum manifolds for aspirations. Each tested concentration was typically measured in triplicate or quadruplicate. For concentration curves, half-log-dilutions were used. Drug dilutions were prepared in stimulation medium (serum-free medium, 100 mg/L ascorbic acid).
7271	1	Enzymatic Assay	Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk-2). Reactions were carried out in a 384-well plate (Matrical MP-101) in a 10 microliter total volume. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween-20, ATP (4 micromolar for JAK-2 and JAK-3, 40 micromolar for JAK-1 and 7 micromolar for Tyk-2)), 2% DMSO and 1 micromolar peptide substrate (JAKtide for JAK-2 and JAK-3 or IRS-1 peptide for JAK-1 and Tyk-2). Compounds were diluted serially in 100% dimethyl sulfoxide and tested in an 11 point dose response in duplicate or quadruplicate (200 nl of compound/DMSO was added per 10 microliter reaction). The reactions were initiated by the addition of enzyme to the final concentration of 2 nM JAK-2, 1 nM JAK-3, 7 nM Tyk2 or 20 nM JAK-1. The assay was run for 240 minutes for JAK-1, 150 minutes for JAK-2, 90 minutes for JAK-3.
7272	1	Inhibition Assay	Pretreatment buffer (140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES/5 mM Tris, pH 7.4) was added to the stably expressing cells, followed by incubation for 20 minutes. The pretreatment buffer was removed and replaced by uptake buffer containing a test compound (1 mM methyl alpha-D-glucopyranoside (containing [14C]methyl alpha-D-glucopyranoside), 145 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES/5 mM Tris, pH 7.4). Uptake reaction was performed at 37&deg; C. for 30 minutes (SGLT1) or 60 minutes (SGLT2). After the reaction, the cells were washed twice with washing buffer (10 mM methyl alpha-D-glucopyranoside, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES/5 mM Tris, pH 7.4), and then dissolved in a 0.25 M NaOH solution. A liquid scintillator (Perkin Elmer) was added and mixed well, followed by measurement of radioactivity using a beta-ray analyzer. For the control group, uptake buffer containing no test compound was prepared.
7273	1	In Vitro Inhibition Assay	The murine monocyte/macrophage cell line J774 is grown in Dulbecco's modified Eagle's medium (DMEM), enriched with glutamine (2 mM), HEPES (25 mM), penicillin (100 ug/mL), streptomycin (100 ug/mL), 10% of fetal bovine serum (FBS) and 1.2% of sodium pyruvate. The cells are distributed in 24-well plates at a density of 2.5x105 cells/mL or in culture dishes with a diameter of 10 cm (1x107 cells/10 mL/dish) and kept for 2 hours at 37&deg; C. in a CO2 (5%)/O2 (95%) atmosphere. Just before the experiments, the culture medium is replaced with fresh medium without FBS to avoid interference during the radio-immunological phase and the cells are stimulated as described below.Evaluation of COX-1 Activity.The cells are pretreated with the test compounds for 15 minutes and then incubated for 30 minutes with arachidonic acid (15x10-6 m). At the end of incubation the supernatants are collected for evaluating, by means of radio-immunological assays, the amount of PGE2 produced.
7274	1	Enzyme Inhibition Assay	Accordingly Ki is for uninhibited AChE. The higher the number, the less the native enzyme is inhibited by the reactivator compound, which is what one desires to achieve: reactivation of the inhibited AChE but little inhibition of native enzyme activity.
7275	1	Enzyme Inhibition Assay	For enzymology studies of these compounds, recombinant guinea pig liver TGase was expressed in Escherichia coli and effectively purified (Gillet, S. M. F. G. et al J. N., Prot. Exp. & Purif. 2004, 33, 256). In addition to being easy to obtain in excellent yield and solubility, guinea pig liver TGase was chosen because it shows 80% homology with human tissue TGase (Aeschlimann, D.; Paulsson, M., Throm. Haemost. 1994, 71, 402) and may thus serve as a model for the evaluation of inhibitors of potential therapeutic utility.The IC50 values of synthetic analogues 14a-38a were determined from inhibition of the reaction of 54.4 mM of the chromogenic TGase substrate N-Cbz-Glu( -p-nitrophenyl ester)Gly with 0.010 U of recombinant guinea pig liver TGase as previously reported (Leblanc, A.; Gravel, C.; Labelle, J.; Keillor, J. W. Biochemistry 2001, 40, 8335) and described in detail in the Materials section below. The mode of inhibition was determined for the representative lead compound.
7277	2	Inhibition Assay	6 data point.  Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 &#956;M Na3VO4, and 0.075 mg/ml Triton X-100 using 12 ng baculovirus-expressed Cdc7/Dbf4 and 2 &#956;M Jerini peptide substrate A-A11 (biotin-C6linker-TPSDSLIYDDGLS) (SEQ ID NO:5). Reactions were initiated with &#955;-[33P]-ATP (1 &#956;M, 20 mCi/&#956;mol) and quenched after 1 hour with 5 volumes of stop buffer (50 mM EDTA, 2 M NaCl). The reactions were incubated for 30 minutes on streptavidin-coated plates, washed, and quantified using a TopCount scintillation plate reader (Packard). IC50 values are determined via non-linear regression fitting of the data. Ki values are generated assuming ATP-competitive (equilibrium) inhibition and using the experimentally determined apparent ATP Km of Cdc7 (0.7 &#956;M).
7278	1	FLIPR Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
7278	2	Electrophysiology Assay	For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and the osmolarity adjusted to 320) or Tyrodes salt solution (Sigma, USA) supplemented with 10 mM HEPES (pH adjusted to 7.4 with NaOH; osmolarity=320). The internal pipette solution contained (in mM): NaCl (10), CsF (140), CaCl2 (1), MgCl2 (5), EGTA (11), HEPES (10: pH 7.4, 305 mOsm). Compounds were prepared first as a series of stock solutions in DMSO and then dissolved in external solution; DMSO content in final dilutions did not exceed 0.3%. At this concentration, DMSO did not affect sodium currents. Vehicle solution used to establish base line was also contacting 0.3% DMSO.
7279	1	In vitro Enzyme Assay	The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.
7280	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10xHBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (flanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
7280	2	Electrophysiology Assay	After establishing the whole-cell configuration in voltage clamp mode, voltage protocols were run to establish the 1) test potential, 2) holding potential, and 3) the conditioning potential for each cell. After establishing the whole-cell configuration in voltage clamp mode, a standard I-V protocol was run to determine the potential at which the maximal current (Imax) is elicited. This potential was the test potential (Vt). To determine a conditioning potential at which 100% of channels were in the inactivated state, a standard steady-state inactivation (SSIN) protocol was run using a series of fifteen 100 ms-long depolarizing prepulses, incrementing in 10 mV steps, immediately followed by a 5 ms testing pulse, Vt, to Vmax. This protocol also permitted determination of the holding potential at which all channels are in the resting state.
7281	1	GTPase Activity Assay	GTPase assays were performed in 50 mM MES, pH 6.5, 50 mM KCl, 5 mM MgCl2 in the presence of 2 uM FtsZ in the presence of varying concentrations of compound 1. Solutions were incubated at room temperature for 5 min, followed by addition of 0.25 mM GTP. At the end of a 20-min incubation period, enzyme activity was quenched by addition of 50 uL Malachite Green solution and the wells read at A625 on an absorbance plate reader.
7283	1	Scintillation Proximity Assay	Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt, HJ Zokian, GJ Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format. Assay Drug Dev Technol 3 (2005) 377-384) was measured. All reactions were carried out in a clear flexible PET Microbeta plates 96-well at room temperature (PerkinElmer). Assay, substrate solution (50mM HEPES, pH7.4,100mM KCl, 5mM NaCl, 2mM MgCl 2, 2mM NADPH and 160nM [3 H] cortisone (1Ci / mmol)) a 49ul and distribution, and starting from the 0.1mM on to start by combining the semi-log (half-log) multiple of the incremental test compound 1uL in DMSO previously diluted (8 points). After pre-incubation of 10 minutes, incubated human 11-HSD1 overexpress the enzyme containing CHO cells isolated from microsomes solution 50uL.
7283	2	Homogeneous Time Resolved Fluorescence Assay	Vitro inhibition of 11.beta.-HSDl by test compounds, HTRF detecting cortisol generated from Koruchisuteron (cortisterone) by human liver microsomes (Homogeneous Time Resolved Fluorescence (Homogeneous Time-Resolved Fluorescence)) Method (cisbio international, France) in was measured. Briefly, the compound, tris buffer containing NADPH (200uM) and cortisone (80nM) (20mM Tris, 5 mM EDTA, pH 6.0) in and incubated for 1 hour at 37 &deg;C. Then, cortisol generated in the reaction was detected by competitive immunoassay comprising two HTRF conjugates (anti-cortisol antibody labeled with bound cortisol and europium cryptate to the XL665). Incubation period for detection reaction was typically 2 hours. The amount of Cortisol, time-resolved fluorescence of the wells; was determined by reading the (Ex 320 / 75nm Em 615 / 8.5nm and 665 / 7.5nm). Then, the ratio of the two light-emitting signal was calculated (Em665 * 10000 / Em615).
7284	1	LanthaScreen TR-FRET Assay	Activity on human GSK-3beta was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screening assay, compounds were tested in duplicate at a concentration of 10 uM.Human recombinant enzyme GSK-3beta was incubated for 90 minutes at 22&deg; C. in the presence of compounds or vehicle in a reaction buffer containing ATP plus 100 nM unphosphorylated specific substrate peptide (Ulight-CFFKNIVTPRTPPPSQGK-amide). Substrate phosphorylation was measured by LANCE technology (PerkinElmer, Conn., USA). The results, reported in the following Table 4, are expressed as a percent of inhibition of control specific activity obtained in the presence of the test compounds (as % inhibition at 10 um). In a second assay, the same compounds were assayed at five concentrations ranging from 100 uM to 10 nM with ten-fold dilutions in duplicate.
7284	2	LanthaScreen TR-FRET Assay	Compound 1 was also assayed to determine the IC50 values for three different kinases (PCTAIRE1, DYRK1a, and CDK2) in comparison to Gsk3beta. The assay was conducted with the same method described below in the second assay. Activity on human GSK-3beta was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266). In a first screening assay, compounds were tested in duplicate at a concentration of 10 M.Human recombinant enzyme GSK-3beta was incubated for 90 minutes at 22&deg; C. in the presence of compounds or vehicle in a reaction buffer containing ATP plus 100 nM unphosphorylated specific substrate peptide (Ulight-CFFKNIVTPRTPPPSQGK-amide). Substrate phosphorylation was measured by LANCE technology (PerkinElmer, Conn., USA). The results, reported in the following Table 4, are expressed as a percent of inhibition of control specific activity obtained in the presence of the test compounds (as % inhibition at 10 um).
7285	1	Receptor Activity Assay	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. 
7286	1	Inhibition Assay	The inhibitory effects of the compounds of the invention on HCV replication can be determined by measuring activity of the luciferase reporter gene. For example, replicon-containing cells can be seeded into 96 well plates at a density of 5000 cells per well in 100 &#956;l DMEM containing 5% FBS. The following day compounds can be diluted in dimethyl sulfoxide (DMSO) to generate a 200× stock in a series of eight half-log dilutions. The dilution series can then be further diluted 100-fold in the medium containing 5% FBS. Medium with the inhibitor is added to the overnight cell culture plates already containing 100 &#956;l of DMEM with 5% FBS. In assays measuring inhibitory activity in the presence of human plasma, the medium from the overnight cell culture plates can be replaced with DMEM containing 40% human plasma and 5% FBS. The cells can be incubated for three days in the tissue culture incubators and are then lysed for RNA extraction.
7288	1	In Vitro Inhibiton Assay	Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 pM) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 &#956;M. Substrate hydrolysis leads to an increase in fluorescence lifetime (FLT) of PT14 measured by means of a FLT reader as described by Doering et al. (2009) as referenced supra. The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature. 
7289	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 um in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound's IC50 holding the cells at -60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections.
7290	1	Radiometric Protein Kinase Assay	A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assays were performed in 96-well FlashPlates from Perkin Elmer (Boston, Mass., USA) in a 50 ul reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 ul of assay buffer (standard buffer); 5 ul of [gamma-33P]-ATP solution (in H2O); 5 ul of test compound (in 10% DMSO); 10 ul of substrate/10 ul of enzyme solution (premixed).The assay contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 uM Na-orthovanadate, 1.2 mM DTT, 50 ug/ml PEG20000, 1 uM [gamma-33P]-ATP (approx. 3x105 cpm per well), protein kinase, and substrate.For the determination of inhibitory profiles, DYRK1A protein kinase was used, which was purchased from Invitrogen Corporation. The kinase was expressed in 519 insect cells as human recombinant GST-fusion protein.
7291	1	Enzyme Activity Assay	The potency of compounds of formula I against the stearoyl-CoA desaturase was determined by measuring the conversion of radiolabeled stearoyl-CoA to oleoyl-CoA using rat liver microsome or human SCD1 following previously published procedures with some modifications (Joshi, et al., J. Lipid Res., 18: 32-36 (1977); Talamo, et al., Anal. Biochem, 29: 300-304 (1969)). Liver microsome was prepared from male Wistar or Sprague Dawley rats on a high carbohydrate diet for 3 days (LabDiet #5803, Purina). The livers were homogenized (1:10 w/v) in a buffer containing 250 mM sucrose, 1 mM EDTA, 5 mM DTT and 50 mM Tris-HCl (pH 7.5). After a 100,000xg centrifugation for 60 min, the liver microsome pellet was suspended in a buffer containing 100 mM sodium phosphate, 20% glycerol, 2 mM DTT, and stored at -78&deg; C. Human SCD1 desaturase system was reconstituted using human SCD1 from a baculovirus/Sf9 expression system, cytochrome B5 and cytochrome B5 reductase.
7292	1	Spectrophotometric 384 Well Assay	Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/ml BSA, 3.75 mM reduced L-glutathione, 15 U/ml lactate dehydrogenase, 0.5 mM phosphoenolpyruvate, 15 U/ml pyruvate kinase, compounds at different concentrations at final DMSO concentrations of 1%.The enzymatic reaction is then started by addition of a mixture of NADH, acetyl Coenzyme A (both 200 &#956;M f.c.) and ATP (500 uM f.c.). The decrease of the optical density (slope S) is then determined at 25° C. at a wavelength of 340 nm over 15 minutes in a spectrophotometric reader.
8565	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor compounds, prepared at 3x the desired final concentration in 1xBACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1xBACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 us delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50 values are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation. Examples 1 through 3, 5 through 7, 9 through 9o, 10, 11, 23, and 27a have BACE2 Ki values of less than 200 nM. Compounds 2-2, 2A-5, 3-3, 4-1 in Table A have BACE2 Ki values between about 0.5 uM and 10 uM.
7294	1	Radioligand Binding Assay	The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.unc.edu/UNC-CH %20Protocol %20Book.pdf. A. Serotonin receptors: 5-HT1A, 5-HT1B, 5-HT1D, 5-HT1E, 5-HT2A, 5-HT2B, 5-HT2C, 5-HT3, 5-HT5A, 5-HT6 and 5-HT7. Assay Buffer: Standard Binding Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4) Membrane Fraction Source: Transiently or stably transfected cell lines (e.g., HEK293, COS, CHO, NIH3T3). Protocol adapted from Roth et al. (1986), J. Pharmacol. Exp. Ther., 238(2): 480-485; and Roth et al. (1994), J. Pharmacol. Exp. Ther., 268(3): 1403-1410. Adrenergic Receptors: alpha1A, alpha1B, alpha2A, alpha2B, alpha2C, beta1, beta2, beta3 Assay Buffers: For alpha1 receptors, alpha1 Binding Buffer (20 mM Tris-HCl, 145 mM NaCl, pH 7.4); for alpha2 receptors, alpha2 Binding Buffer (50 mM Tris-HCl, 5 mM MgCl2, pH 7.7); for beta receptors.
7297	1	Chromogenic assay	To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the product formation (L-biopterin) and the chromogenic assay measures OD at 420 nm.N-methoxyacetyl serotonin was used as a reference compound (positive control). The IC50 measured using the screening conditions was 20-40 nM, which agrees with the literature (Smith et al., Journal of Biological Chemistry, 297:5601, 1992). The exemplary assay protocol uses the following conditions: SPR (6 nM); L-Sepiapterin (50 uM); NADPH (100 uM); Na-Phosphate buffer, pH 6.5 (100 mM); 82 uL assay volume; 60 minutes incubation with compounds (0.5% final concentration in DMSO) at 37&deg; C. in Greiner uClear 384 well plates.The following experimental procedure was applied: (1) Add 2 uL compound (inhibitor) dilutions (20% DMSO) in Greiner uClear 384 well plates. (2) Add 40 uL enzyme/assay buffer.
7297	2	LC/MS assay	To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the product formation (L-biopterin) and the chromogenic assay measures OD at 420 nm.N-methoxyacetyl serotonin was used as a reference compound (positive control). The IC50 measured using the screening conditions was 20-40 nM, which agrees with the literature (Smith et al., Journal of Biological Chemistry, 297:5601, 1992).The exemplary assay protocol uses the following conditions: SPR (6 nM); L-Sepiapterin (50 uM); NADPH (100 uM); Na-Phosphate buffer, pH 6.5 (100 mM); 82 uL assay volume; 60 minutes incubation with compounds (0.5% final concentration in DMSO) at 37&deg; C. in Greiner uClear 384 well plates.The following experimental procedure was applied:        (1) Add 2 uL compound (inhibitor) dilutions (20% DMSO) in Greiner uClear 384 well plates.        (2) Add 40 uL enzyme/assay buffer.
7298	1	Enzymatic Assay	The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 &#956;L of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 2 ul of a DMSO solution containing compound of interest. Conditioned media obtained from HT-1080 cells, which were transformed by RAGE technology (Athersys) to overexpress endogenous EL, was added and the reaction was allowed to incubate for 20 min at 37° C. with gentle agitation. The reaction was started by the addition of 20 &#956;L of a 1:4 dilution of vesicles. The final total reaction volume was 100 &#956;L. The reaction rates were measured on a Gemini plate reader with an excitation wavelength of 488 nm and an emission of 530 nm. Readings were taken every 20 seconds for 10 min with agitation between each reading.
7299	1	Time-Resolved Fluorescence Resonance energy transfer (TR-FRET) Immunoassay	The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on HTRF KinEASE-STK manual from Cisbio. Test compound, 1 uM STK3 peptide substrate, 4 nM of ASK1 kinase were incubated with 10 mM MOP buffer, pH. 7.0 containing 10 mM Mg-acetate, 0.025% NP-40, 1 mM DTT, 0.05% BSA and 1.5% glycerol for 30 minutes then 100 uM ATP was added to start the kinase reaction and incubated for 3 hr. Peptide antibody labeled with 1xEu3+ Cryptate buffer containing 10 mM EDTA and 125 nM Streptavidin XL665 were added to stop the reaction and phosphorylated peptide substrate was detected using Envision 2103 Multilabeled reader from PerkinElmer. The fluorescence was measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm was calculated for each well.
7301	1	Inhibition Assay	Assay plates: 96-well MultiScreen 0.65 um filter plates (Millipore Cat. No.: MADVNOB10)Streptavidin coated beads: Streptavidin Sepharose, suspension 5.0 mL, in 50 mM EDTA/PBS diluted (1:100), (Amersham, Cat. No.: 17-5113-01)Compounds: 10 mM in 100% dimethylsulfoxide (DMSO), final conc.: compound 0.003-100 uM in 10% DMSOEnzyme: SYK RPA purified, truncated construct of Spleen Tyrosine Kinase aa 360-635, stock solution 1 mg/mL, MW: 31.2 KDa, final conc.:0.0005 uM. Peptide 1: biotinylated peptide is derived from a naturally occurring phosphor-acceptor consensus sequence (Biotin-EPEGDYEEVLE), special order from QCB, stock solution 20 mM, final conc.: 5.0 uM.ATP: Adenosine-5'-triphosphate 20 mM, (ROCHE Cat. No.: 93202720), final concentration: 20 uM Buffer: HEPES: 2-Hydroxyethyl piperazine-2-ethanesulfonic acid (Sigma, Cat. No.: H-3375)final concentration: 50 mM HEPES pH7.5BSA: Bovine Serum Albumin Fraction V, fatty acid free (Roche Diagnostics GmbH, Cat. No. 9100221).
7293	2	Inhibition Assay	Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics screening system.A solution containing PDH (Lpd=15 &#956;M; DlaT=30 &#956;M; AceE=15 &#956;M) was diluted 2-fold in 100 mM of potassium phosphate buffer (pH 7.0) for the assay. Another reaction solution containing 50 mM potassium phosphate buffer (pH 7.0), 200 &#956;M TPP, 2 mM Pyruvate, 200 &#956;M CoA, 1 mM MgCl2, 1 mM NAD+ was prepared. 5 &#956;L/well of PDH solution was dispensed into 1536-well black plates. Next, 50 nL of each test compound (1 mM dissolved in DMSO) was added into each well. After 30 minutes of incubation, 5 &#956;L/well of reaction solution was added. At the 30th minutes of the reaction, the florescence signal (excitation 360 nm and emission 460 nm) was obtained by Viewlux reader (PerkinElmer).
7293	1	Inhibition Assay	The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics screening system.A solution containing Lpd (100 nM) and 100 mM sodium phosphate buffer (pH 7.0) was prepared. Another solution containing the substrate lipoamide (2 mM), 100 mM sodium phosphate buffer (pH 7.0), EDTA (4 mM), and NADH (200 uM) was also prepared. The detection reagent, DTNB was dissolved in DMSO and diluted to a concentration of 375 uM with a 100 mM sodium phosphate buffer (pH 7.0).4 uL/well of Lpd solution was dispensed into 1536-well clear bottom plates. Next, 50 nL of each test compounds (1 mM dissolved in DMSO) was added into each well. After one hour of incubation, 4 uL/well of lipoamide (LPA) solution was added, so that in each well, the concentrations of Lpd, LPA, and the test compound were 50 nM, 1 mM, and 6.25 uM, respectively.
7296	1	Biological Assay	Assay Method 1: T84 frozen pellets (contents of 1-4x15 cm culture dishes) were homogenized in 300 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% glycerol, 0.02% Triton X-100, 0.4 mM Hepes, pH 9). The assay mixture was prepared from 50 uL of the cell homogenate, 10 uL of the test compound, and 40 uL of anandamide [1-3H-ethanolamine] (3H-AEA; Perkin-Elmer, 10.3 Ci/mmol), which was added last, for a final tracer concentration of 200 nM. The reaction mixture was incubated at rt for 1 hour (h). During the incubation, 96-well Multiscreen filter plates (catalog number MAFCNOB50; Millipore, Bedford, Mass., USA) were loaded with 25 uL of activated charcoal (Multiscreen column loader, catalog number MACL09625, Millipore) and washed once with 100 uL of MeOH. Also during the incubation, 96-well DYNEX MicroLite plates (catalog number NL510410) were loaded with 100 uL of MicroScint40 (catalog number 6013641, Packard Bioscience, Meriden, Conn., USA).
7296	2	FAAH Assay	T84 frozen cell pellets or transfected SK-N-MC cells (contents of 1x15 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol, 0.02% Triton X-100, 0.4 mM Hepes, pH 9). The assay mixture consisted of 50 uL of the cell homogenate, 10 uL of the test compound, and 40 pt of anandamide [1-3H-ethanolamine] (3H-AEA, Perkin-Elmer, 10.3 Ci/mmol), which was added last, for a final tracer concentration of 80 nM. The reaction mixture was incubated at rt for 1 h. During the incubation, 96-well Multiscreen filter plates (catalog number MAFCNOB50; Millipore, Bedford, Mass., USA) were loaded with 25 uL of activated charcoal (Multiscreen column loader, catalog number MACL09625, Millipore) and washed once with 100 uL of MeOH. Also during the incubation, 96-well DYNEX MicroLite plates (catalog number NL510410) were loaded with 100 uL of MicroScint40 (catalog number 6013641, Packard Bioscience, Meriden, Conn., USA).
7296	3	FAAH Assay	T84 frozen cell pellets or transfected SK-N-MC cells (contents of 1x15 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol, 0.02% Triton X-100, 0.4 mM Hepes, pH 9). The assay mixture consisted of 50 uL of the cell homogenate, 10 uL of the test compound, and 40 uL of anandamide [1-3H-ethanolamine] (3H-AEA, Perkin-Elmer, 10.3 Ci/mmol), which was added last, for a final tracer concentration of 80 nM. The reaction mixture was incubated at rt for 1 h. During the incubation, 96-well Multiscreen filter plates (catalog number MAFCNOB50; Millipore, Bedford, Mass., USA) were loaded with 25 uL of activated charcoal (Multiscreen column loader, catalog number MACL09625, Millipore) and washed once with 100 uL of MeOH. Also during the incubation, 96-well DYNEX MicroLite plates (catalog number NL510410) were loaded with 100 uL of MicroScint40 (catalog number 6013641, Packard Bioscience, Meriden, Conn., USA).
7303	1	Biochemical Assay (ATP at Km)	Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotometric measurement of NADH consumption. IC50 measurements were performed with a suitable concentration range of inhibitory compound, while keeping the concentration of pantothenate and ATP at 122 and 395 µM, respectively, which is their respective Km.
7303	2	Biochemical Assay (ATP at 50x Km)	Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotometric measurement of NADH consumption. A second set of IC50 measurements were performed with the ATP concentration at 50× Km, to determine the effect of cofactor competition.
7304	1	3&#39;-Processing Assay	A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3&#39;-processing and strand transfer activities.
7304	2	Strand Trasnfer Assay	A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3&#39;-processing and strand transfer activities.
7305	1	Mobility Shift Microfluidics Assay	Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA) for 60 minutes at room temperature in 384-well plates (Seahorse Bioscience, MA), in assay buffer that contained 100 mM HEPES (pH 7.5), 10 mM MgCl2, 2.5mM DTT, 0.004% Tween-20 and 0.003% Briji-35. Reactions were terminated by the addition of 10 mM EDTA. Substrate and product were separated electrophoretically and fluorescence intensity of the substrate and product was determined by Labchip EZ Reader II (Caliper Life Sciences, MA). The kinase activity was measured as percent conversion. The reactions were performed in duplicate for each sample. Positive control, CHIR99021 was included in each plate and used to scale the data in conjunction with in-plate DMSO controls. The results were analyzed by Genedata Assay Analyzer. The percent inhibition was plotted against the compound concentration and the IC50 value was determined.
7306	1	CBP Fluorescence Resonance Energy Transfer (FRET)	The assay used His-tagged CBP protein, biotinylated histone H4, and detection reagents europium-labeled streptavidin and anti-6His antibody labeled with XL665 (CisBio). The procedure was reported recently (Hettet al., 2015).
7306	2	BRD4 Fluorescence Polarization (FP)	The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et al.,2015; Wu et al., 2014).
7306	3	ITC	Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).
7307	1	HDAC Enzymatic Assay	Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme reactions were run in 50 mM HEPES, 100 mM KCl, 0.001% (v/v) Tween-20, 0.05% (w/v) BSA, pH 7.4. The appropriate substrate concentration for each HDAC was determined using their corresponding Km values. Km values were determined by monitoring the increase of fluorescence of each HDAC at varying substrate concentrations. The increase in fluorescence units was plotted versus substrate concentration. Assays corresponding to HDACs 4, 5, 7, 8, 9 involved a trifluoroacetylated lysine substrate as described in Bradner et al, while HDACs 1, 2, 3, and 6 used an acetyl-Leu-Gly-acetyl-Lys tripeptide as the substrate. Reactions were carriedout in 384-well plates and fluorescence was measured using a multi-label plate reader and plate stacker (Envision, Perkin-Elmer).
7308	1	[3H]-2-Deoxy-D-glucose ([3H]-2-DG) Uptake Assay	The stably transfected CHO cells were seeded in poly 24-well plates and were grown to 80&#8722;90% confluence. Cells were rinsed with PBS buffer and incubated in 280 &#956;L of PBS buffer containing 61.73 &#956;M [3H]-2-DG (PerkinElmer, Boston, MA) in the presence and absence of 50 &#956;M test compound for 5 min. The known hGLUT1 inhibitor phloretin (Accela ChemBio, San Diego, CA) was included as a positive control. Nonradiolabeled 2-DG (40 mM) (Sigma, St. Louis, MO) was included inorder to calculate specific inhibition of predicted inhibitors. Compounds were obtained from the National Cancer Institute (NCI) or purchased from commercial vendors. The reaction was terminated by washing cells twice with ice-cold PBS, followed by the addition of 200 &#956;L of lysis buffer (0.1% (w/v) SDS, 0.1 N NaOH).Intracellular radioactivity was determined by scintillation counting.
7309	1	Recombinant TDP2 Assay	TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&#945;32P-cordycepin-3&#8242;- labeled)23 containing a 5&#8242;-phosphotyrosine (TY19) was incubated at 1 nM with 25 pM recombinant human TDP2 (REC hTDP2) to obtain 30&#8722;40% cleavage in the absence or presence of an inhibitor for 15 min at RT in the reaction buffer containing 50 mM Tris-HCl, pH 7.5, 80 mM KCl, 5 mM MgCl2, 0.1 mM EDTA, 1 mM DTT, 40 &#956;g/mL BSA, and 0.01% Tween 20. Reactions were terminated by the addition of 1volume of gel loading buffer [99.5% (v/v) formamide, 5 mM EDTA, 0.01% (w/v) xylene cyanol, and 0.01% (w/v) bromophenol blue]. Samples were subjected to a 16% denaturing PAGE with multiple loadings at 12 min intervals.
7309	2	TDP2 Assays with Whole Cell Extracts	Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and centrifuged. Cell pellets were then resuspended in 100 uL of CelLytic M cell lysis reagent (SIGMA-Aldrich C2978). After 15 min on ice, lysates were centrifuged at 12 000g for 10 min, and supernatants were transferred to a new tube. Protein concentrations were determined using a Nanodrop spectrophotometer (Invitrogen), and whole cell extracts were stored at -80 &deg;C. The TY19 single-stranded DNA oligonucleotide containing a 5'-phosphotyrosine (see above) was incubated at 1 nM with 10-20 ug/mL of whole cell extract to obtain 30-40% cleavage in the absence or presence of inhibitor for 15 min at RT in the reaction buffer containing 50 mM Tris-HCl, pH 7.5, 80 mM KCl, 5 mM MgCl2, 0.1 mM EDTA, 1 mM DTT, 40 ug/mL BSA, and 0.01% Tween 20. Reactions were terminated and samples analyzed.
7310	1	Enzymatic Screening Assay	The enzymatic test is a test in two steps.In a first step, it consists in placing in contact the compound according to the invention, the dialysed MetAP2 protein and the substrate (Met-Pro-Arg-pNa peptide synthesized by Neosystem), the N-terminal methionine of which can be cleaved with MetAP2, and which bears at the C-terminal end a para-nitroaniline (pNa) chromophore, which can itself be released by another peptidase only when the N-terminal methionine has been cleaved beforehand.Consequently, the second step consists in reacting the peptides cleaved in the preceding step with a second peptidase in order to release the chromophore. The peptidase used in this second step is cathepsin, which comes from the TagZyme DAPase kit (Quiagen, 34366).The MetAP2 activity is proportional to the amount of para-nitroaniline released, which is measured by absorbance at 405 nm.
7311	1	Kinase Assay	The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP). 20 &#956;l reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK-4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DTT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;l of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LH, BioSystems).
7312	1	Radioligand Displacement Assay	Binding assay was performed in a final assay volume of 250 &#956;l. First, 25 &#956;l of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 50 mM Tris-Base, 100 mM NaCl, 1 mM EDTA, 0.1% BSA (protease free), 0.01% NaN3, 10 mM MnCl2, pH 7.0) was placed into each well. After addition of 75 &#956;l Binding-Buffer, 50 &#956;l of the radioligand 3H-PGD2 (at 2.5 nM (220.000 dpm/well) from ANAWA ART0662) was added to each well. Binding assay was started by addition of 100 &#956;l CRTH2 membrane fragments, reaching a final concentration of 20 &#956;g/well. For non-specific binding, PGD2 was added to the reaction mixture to 10 mM final concentration. This assay mix was incubated for 90 minutes at room temperature and then filtered through a GF/C filter 96-well plate which was pre-soaked for 3 hours in 0.5% polyethyleneimine (PEI). The filter-wells were washed three times with ice cold Binding-Buffer. Then, 40 &#956;l of Microscint-40 (Packard) was added to each well and the re
7313	1	Gli-Luc Assay	Compounds may be tested in the "Gli-Luc" assay below, using the cell line 10T(s12), wherein the cells contain a Hedgehog-responsive reporter construct utilizing Luciferase as the reporter gene. In this way, Hedgehog pathway signaling activity can be measured via the Gli-Luc response.10t1/2(s12) cells are plated in a 96-well micro-titer plate (MTP) at 20,000 cells/well in full medium [DMEM with 10% FBS]. Then plates are placed in the incubator for incubation overnight (O/N), at 37&deg; C. and 5% CO2. After 24 h, the medium is replaced with Luciferase-assay medium (DMEM with 0.5% FBS). Compounds are thawed and diluted in assay medium at 3:1000 (about 300-fold) resulting in a starting concentration of about 30 uM.Subsequently, 150 ul of each 30 uM sample is added to the first wells (in triplicate). The MTP samples are then diluted at 3-fold dilutions to a total of seven wells, ultimately resulting in a regiment of seven dilutions in triplicate, for each compound.
7314	1	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 &#956;l/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 &#956;l/well of 1 mM fluoxetine dissolved in DMSO. 20 &#956;l/well of a 2× membrane preparation (15 ug/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 20 &#956;l/well of a 2× radioligand solution (520 &#956;M [125I]RTI-55 in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to each well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 &#956;l/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4° C. The filtration and washing were completed in less than
7314	2	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 ul/well of 1 mM fluoxetine dissolved in DMSO. 20 ul/well of a 2x membrane preparation (15 ug/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 20 ul/well of a 2x radioligand solution (520 uM [125I]RTI-55 in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to each well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4&deg; C.
7314	3	Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1.0 ul/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 1.0 ul/well of 10 mM desipramine dissolved in DMSO. 50 ul/well of a 2x membrane preparation (0.4 mg/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 50 ul/well of a 2x radioligand solution (4 nM [3H]nisoxetine in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 ul/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4&deg; C.
7315	1	In Vitro Enzyme Assay	In vitro enzyme assays were conducted via the Ba(OH)2 precipitation method of Wang et al. (32) using recombinant human PDE11A4, PDE10A1, PDE5A1, PDE6C, PDE8A (BPS Bioscience Inc.), PDE7A (BIOMOL International), and PDE4A10 enzymes (gift from HengmingKe), in the presence of 100 nM cGMP, 30 nM cAMP, 500 nM cGMP, 1.7 &#956;M cGMP, 10 nM cAMP, 15 nM cAMP, and 625 nM cAMP, respectively. Inhibitor concentrations that reduce enzyme activity by 50% (IC50) are presented. The values are means of at least three independent experiments.
7318	1	Tet-Inducible cAMP Assay	A human-mouse chimeric GPR119 expression construct encoding 3 copies of the FLAG epitope tag, the first 198 amino acids of human GPR119 and the C-terminal 137 amino acids of the mouse receptor was cloned into a tetracycline inducible vector pcDNA5/FRT/TO (Invitrogen #V6520-20), which includes a hygromycin-resistance marker. Tightly controlled receptor expression was achieved by stable integration of this construct into the genome of a specific host cell line, Flp-In-T-Rex-HEK293, expressing the tetracycline repressor (Invitrogen). Once a stable hygromycin-resistant cell line was generated, the cells were maintained at 37° C. in a humidified 5% CO2 atmosphere in culture medium consisting of Dulbecco&#39;s modified Eagle&#39;s medium (DMEM; Invitrogen #11960) supplemented with 2 mM L-glutamine, 10% fetal bovine serum, 200 &#956;g/ml hygromycin B, and 15 &#956;g/ml blasticidin.
7319	1	RNA-dependent DNA Polymerase (RDDP) Assay	RNA-dependent DNA polymerase (RDDP) activity was measured as described[J. Microbiol. 2015, 53:288-293] in Tris HCl buffer (25 mL, 60 mm, pH 8.1) containing MgCl2 (8 mm), KCl (60 mm), DTT (13 mm), poly(A)-oligo(dT) (2.5 mm), dTTP (100 mm), and HIV-1 RT (6 ng, according to a dose-response curve). After enzyme addition, the reaction mixture was incubated for 30 min at 37 &deg;C, then the reaction was stopped by addition of EDTA. Reaction products were detected by the addition of PicoGreen (code P7581 Thermo Fisher Scientific) according to the manufacturer's instructions and measured with the Victor 3 (PerkinElmer) equipped with filters (lex=502 nm, lem=523 nm).
7319	2	RNase H (RH) Assay	HIV RT-associated RNase H activity was measured as previously described.[J. Med. Chem. 2014, 57:3223-3234] Briefly, the reaction mixture comprised Tris HCl (100 mL, 50 mm, pH 7.8) containingMgCl2 (6 mm), dithiothreitol (1 mm), KCl (80 mm), hybrid RNA/DNA 5'-GAUCU GAGCC UGGGA GCU-Fluorescin-3' (0.25 mm; HPLC, dry, QC: Mass Check; Metabion, Steinkirchen, Germany), 5'-Dabcyl-AGCTC CCAGG CTCAG ATC-3' (HPLC, dry, QC: Mass Check), and HIV-1 RT (20 ng, according to a linear range of dose-activity curve). The reaction mixture was incubated for 1 h at 37 &deg;C, and the reaction was stopped by addition of EDTA; products were measured with a Victor 3 multilabel counter plate reader (model 1420-051; PerkinElmer) equipped with filters (lex=490 nm, lem=528 nm).
7320	1	In vitro [3H]histamine Binding Assay	Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 &deg;C and 16 0009x g and resuspended in binding buffer (12.5 mM MgCl2, 1 mM EDTA and 75 mM Tris/HCl, pH 7.4). Competition binding experimentswere carried out by incubating membranes, 35 ug/well (prepared from Sf9 cells transiently expressing human H4R, co-expressed with G proteins Galphai2 and Gbeta1gamma2 subunits) in a final volume of 0.2 mL containing binding buffer and [3H]histamine 2x HCl (10 nM, 15.3 Ci/mmol, PerkinElmer, Waltham, MA, USA) in a 96 well microtitre plate. Assays were run in duplicates or triplicates with four or seven appropriate concentrations between 100 nM or 0.1 nM and 100 uM of the test compounds. Amount of experiments was at least 2. Only exceptions were for substance 2, 3, and 4 where only one experiment in duplicates was performed.Incubations were performed for 60 min at 25 &deg;C and shaking at 250 rpm. Non-specific binding was determined.
7321	1	HIV-1 RT Inhibition Assay	A reverse transcriptase (RT) assay kit produced by Roche was selected for the RT inhibition assay. All the reagents for performing the RT reaction came with the kit, and the ELISA procedures for RT inhibition assay were carried out following the description in the kit protocol. Briefly, the reaction mixture containing template/primer complex, viral nucleotides (dNTPs), and RT in the incubation buffer with or without inhibitors was incubated for 1 h at 37 &deg;C. After that, the reaction mixture was transferred to a streptavidincoated microtiter plate and incubated for another 1 h at 37 &deg;C to make sure that retranscriptional cDNA chain consisted of biotin-labeled dNTPs bound to streptavidin. Then, unbound dNTPs were removed using washing buffer and anti-DIG-POD working solution was added. After incubation for 1 h at 37 &deg;C, the DIG-labeled dNTPs incorporated into cDNA were bound to the anti-DIG-POD antibody. The unbound anti-DIG-PODs were removed.
7322	1	Paraoxonase Activity Assay	Paraoxonase enzyme activity was determined at 25 °C with paraoxon (1 mM) in 50 mM glycine-NaOH (pH 10.5) containing 1 mM CaCl2. The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Assays were performed using a spectrophotometer (CHEBIOS UV-VIS, Fullerton, CA). The molar extinction coefficient of paranitrophenol (&#400; = 18 290/M/cm at pH 10.5) is used for thecalculation of enzyme activity. One enzyme unit was defined as the amount of enzyme that catalyzes the hydrolysis of 1 µmol of paraoxon at 25 °C (J. Chromatogr. B. 2006, 836:15-21).
7323	2	ADP Hunter Plus Assay	Compounds were first tested in triplicates at 100 uM; hit compounds were further tested with a 10-point twofold serial dilution to confirm their activity and determine their IC50 values. S-Trityl-L-cysteine (STLC), a selective Eg5 inhibitor(J. Biol. Chem. 2006, 281:17559-17569; Mol. Cancer Ther. 2004, 3:1079-1090), was used as the control compound. Specifically, 20 uL of 15 mM PIPES (pH 7.0) containing 1 mM MgCl2, 50 nM MT, 20 uM paclitaxel, 200 uM ATP, 5% DMSO, 60 nM Eg5 proteins, and 1:2 serial dilutions of each individual compound starting from 1000 uM were added to each well of a 96-well plate. The plate was incubated at room temperature for 0.5 h, and then, the ADP Hunter Plus reagents were added. The plate was further incubated for 0.5 h and then read for fluorescence (ex.530/em.590) on Synergy 4 (BioTek, Winooski, VT, USA).
7324	1	AChE Inhibitory Assay	In brief, reaction mixture composed of 10 µL of test sample of five different concentrations, 145 µL phosphate buffer 200 mM (pH 7.7), 80 µL of dithiobisnitrobenzoic acid (DTNB) (18.5 mg of DTNB dissolved in 10 mL phosphate buffer pH 7.7), and 10 µL of enzyme (0.4 U/mL). The mixture was incubated at 25 °C for 5 min. Subsequently, the enzymatic reaction was initiated by addition of 15 µL of 1 mM of acetylthiocholine iodide or butyrylthiocholine iodide (according to the respective enzyme), and the mixture was again incubated for 5 min at 25 °C. The rate of absorbance change was measured at 412 nm for 6 min using a microplate reader (Bio-Rad 680, Germany). Galantamine was applied as positive drug.
7325	1	Isothermal Titration Calorimetry (ITC)	Calorimetric titrations were performed in a Microcal iTC 200 microcalorimeter. Freshly purified 5 µM protein (Aurora A/B kinases) was titrated against 100 µM ligand (felodipine/ PTK66) in each case at 25 °C. Proteins and the ligandswere diluted in the final dialysate (20 mM Tris-HCl, pH 8.0, 0.2 mM EDTA and 100 mM KCl) against which the proteins were extensively dialysed to avoid any artefact due to the minor differences in buffer composition. DMSO content was kept exactly same in the cell (not exceeding 0.2% v/v) and syringe to rule out any interference due to DMSO content mismatch. All samples were thoroughly degassed prior to titration and were prepared with the same batch of dialysate to avoid any artefacts from the minor differences in buffer composition. Dilutions of 100 µM felodipine/PTK66 in dialysate containing equal percentage of DMSOserved as controls. The stirring speed was 300 rpm.
7326	1	Kinase-Glo Assay	In a typical assay, 10 &mu;L of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 &mu;L (20 ng) of enzyme were added to each well followed by 20 &mu;L of assay buffer containing substrate and ATP to get a concentration of 25 &mu;M substrate and 1 &mu;M ATP per well. The final DMSO concentration in the reaction mixture was <1%. After incubation at 30 &deg;C for 30 min, the enzymatic reaction was quenched with 40 &mu;L of Kinase-Glo reagent. Luminescence was recorded after 10 min using Infinite F200&reg; PRO multimode reader (Tecan Group Ltd., M&auml;nnedorf, Switzerland). The activity is proportional to the difference of the total and consumed ATP.
8572	2	Biochemical Assay	PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was purchased as a kit from BPS (cat.#80552) and used per manufacturers recommendations.
8574	1	RSK2 Inhibition Assay	RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Quikchange mutagenesis (Stratagene) and was indistinguishable from WT RSK2 CTD in kinase activity assays, as described previously. WT and C436V RSK2 CTD (10 uM) were activated by His6-ERK2 (10 uM) in 20 mM HEPES [pH 8.0], 10 mM MgCl2, 2.5 mM tris(2-carboxyethyl)phosphine (TCEP), 0.2 mg/mL BSA and 200 uM ATP for 30 min at 22&deg; C. Activated RSK2 CTD (5 nM) in 20 mM HEPES [pH 8.0], 10 mM MgCl2, 2.5 mM tris(2-carboxyethyl)phosphine (TCEP), 0.25 mg/mL BSA, and 100 uM ATP were pre-incubated with inhibitors (ten concentrations, in duplicate) for 30 min. Kinase reactions were initiated by the addition of 5 uCi of [ -32P]ATP (6000 Ci/mmol, NEN) and 167 uM peptide substrate (RRQLFRGFSFVAK) (SEQ ID NO:1) and performed for 30 min at room temperature. Kinase activity was determined by spotting 5 uL of each reaction onto dried sheets of nitrocellulose that had been pre-washed with 1 M NaCl in 0.1% H3PO4. The nitrocellulose sheets were washed once with 1% AcOH solution and twice with a solution of 1 M NaCl in 0.1% H3PO4 (5-10 min per wash). Dried blots were exposed for 30 min to a storage phosphor screen and scanned by a Typhoon imager (GE Life Sciences). Data were quantified using the SPOT program (Knight, Z. et al. Nature Protocols, 2: 2459-66), and IC50 values were determined using GraphPad Prism 4.0 software.
8588	1	Caliper Assay	Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Phosphoacceptor substrate peptide concentration used was 1 &#956;M for all assays and Staurosporine was used as the reference compound for all assays. Specifics of each assay are as described below:CDK2/CyclinA: Enzyme concentration: 0.2 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/CyclinE: Enzyme concentration: 0.28 nM; ATP concentration: 100 &#956;M; Incubation time: 1 hr.CDK4/CyclinD1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 10 hr.
8592	1	ADP-Glo Kinase Assay	The Promega ADP-Glo Kinase Assay is a luminescent ADP detection assay that provides a universal, homogeneous, high-throughput screening method to measure kinase activity by quantifying the amount of ADP produced during a kinase reaction.
8591	3	Binding Inhibition Assay	The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express &alpha;4&beta;7 integrin, to MAdCAM-1 was measured. To 96-well microtiter plates, recombinant mouse MAdCAM-1/Fc (R&D systems) solution (1 ug/mL) diluted with buffer A (carbonate buffer, pH 9.6) was added at 50 uL/well, followed by incubation at 4&deg; C. overnight. After washing once with PBS, Block Ace (Snow Brand Milk Products Company, Limited) was added at 150 uL/well, followed by incubation at room temperature for 2 hours. After removal, washing was conducted once with PBS.100 uL of each test substance diluted with a binding buffer (DMEM containing 40 mM HEPES, 0.2% BSA, and 4 mM MnCl2) to various concentrations and 100 uL of RPMI-8866 cells (2x106 cell/mL) were added to plates coated with MAdCAM-1/Fc (5x105 cells/well) with human serum being contained at a final concentration of 50%, followed by incubation at 30&deg; C. for 15 minutes to 60 minutes. After the cells were bound to each well, unbound cells were removed by washing with PBS. To the plates, buffer C (PBS containing 1.5% Triton X-100) was added at 50 uL/well to lyse the bound RPMI-8866 cells. To 30 uL of the cell lysate, 30 uL of Substrate Buffer (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the reaction was allowed to proceed at room temperature in a dark place for 30 minutes. To each well, 30 uL of Stop Solution (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the absorbance at 490 nm was measured by using a plate reader. Here, by the obtained absorbance, the activity of the lactate dehydrogenase (LDH) dissolved into the supernatant of each well was detected. In other words, the absorbance was proportional to the number of the RPMI-8866 cells bound to MAdCAM-1 and remaining on the plate. The test was duplicated. The binding ratios of the cells at various concentrations were determined, with the absorbance of a well containing no test substance taken as 100%. Then, the concentration IC50, at which 50% binding inhibition was achieved, was calculated.
7328	1	Phosphotyrosine Phosphatase Activity (DiFMUP) Assay	IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay. 
7329	1	In Vitro Assay	FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 &#956;M), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibitor were incubated for 15 min at 37° C. Reactions were initiated by the addition of human FX (range of concentrations). Preliminary experiments revealed that the plasma purified FX contains a residual amount of human FVIIa which could not be removed by affinity chromatography. The residual FVIIa is sufficient, when combined with PCPS, calcium and TF to catalyze the conversion of FX to Xa, and was increased by the addition of 5 pM human FVIIa. FXa in turn hydrolyses S2765, which was monitored for 60 min at 405 nm.
7329	2	In Vitro Assay	Tissue kallikrein-1 (37° C) activity was determined in reactions containing 0.05 nM enzyme and 90 &#956;M substrate (H-D-Val-Leu-Arg-AFC) in buffer (0.1M sodium phosphate pH 7.4, 0.2 M NaCl, 0.5% PEG 8000, and 1% DMSO). Assays were performed using 96-well microtiter plates (COSTAR 3600, CORNING, NY, USA) and a thermostatic temperature controlled plate reader (SPECTRAMAX Gemini, Molecular Devices, Sunnyvale, Calif., USA). Fluorescence was monitored using 400 nm excitation and 505 nm emission wavelengths.
7330	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were transferred into a 384-well plate. Then 10 uL of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. Protein:GST-Bcl-2, Probe:  F-Bak Peptide Probe Acetyl-GQVGRQLAIIGDK(6-FAM)INR-amide(SEQ ID NO: 1), Protein(nM): 1, Probe (nM): 100, Antibody: Tb-anit-GST, Antibody (nm): 1.   The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters.
7331	1	Enzymatic Activity Assay	The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed to measure the ability of the isolated enzyme to catalyze the transfer of phosphate from ATP to serine/threonine residues in a fluorescein-labeled substrate peptide, using recombinant human SGK-1 enzyme produced in a baculovirus system (Biomol, Hamburg, Germany, Cat. No. 4-331). The synthesized fluorescent labeled peptide substrate contained (5(6)-Carboxyfluorescein)-RPRAATF-NH2. The phosphorylated substrate peptide and non-phosphorylated substrate peptide were separated with caliper life science's lab-chip technology based on a micro fluidics method. All fluid flow was established on the chip by applying a vacuum of a few psi to the waste well transporting fluid from various sources through interconnecting channels. Because the phosphoryl group is doubly negatively charged, under the pressure-driven hydrodynamic flow.
7332	1	Inhibition Assay	The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable peptide substrate leads in this connection to an increase in the fluorescent light. The signal intensity of the fluorescent light is directly proportional to the enzyme activity. The effective concentration of a test compound at which half the enzyme is inhibited (50% signal intensity of the fluorescent light) is indicated as IC50.Procedure: Enzyme (80 uM HNE; from Serva, Heidelberg) and substrate (20 uM MeOSuc-Ala-Ala-Pro-Val-AMC; from Bachem, Weil am Rhein) are incubated in an assay volume of in total 50 ul of assay buffer (0.1 M HEPES pH 7.4, 0.5 M NaCl, 0.1% w/v BSA, 1% v/v DMSO) in a 384-well microtiter plate in the presence and absence of the test substance at 37&deg; C. for 2 hours. The intensity of the fluorescent light from the assay mixtures is measured (Ex. 380 nm, Em. 460 nm).
7334	1	cAMP Functional Assay	The efficacy of GLP-1 receptor agonists was studied in a cAMP functional assay using HEK-293 Cells expressing the cloned human GLP-1 receptor. GLP-1-expressing cells (10,000-20,000 cells per 0.1 mL) were plated in 96-well plates in Dulbecco&#39;s modified eagles media (DMEM) containing 10% fetal bovine serum, 2 mg/mL G418 and penicillin-streptomycin. Following overnight incubation of cells, media was removed, and compounds (at concentrations ranging from 0.0001 to 100 &#956;M) were added to monolayer cells in Iscove&#39;s modified dulbecco&#39;s medium (IMDM), 100 &#956;M RO 20-1724 PDE inhibitor, 0.1% BSA, 2% DMSO in a final volume of 100 &#956;L, and incubated for 30 min at 37° C. 95%02, 5% CO2 in a humidified incubator. Alternatively, cells were harvested and combined with compounds in suspension using the buffer and protocol described above. cAMP was quantified using a homogenous time-resolved fluorescence detection system (cAMP dynamic, CIS bio International). 
7335	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist of the S1P1 receptor (e.g., human S1P1 receptor) using the HTRF assay for direct cAMP measurement (Gabriel et al., Assay and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with S1P1. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog #CCL-61). The compound was determined to be an agonist of the S1P1 receptor and was detected in the HTRF assay for direct cAMP measurement as a compound which decreased cAMP concentration. The HTRF assay has been used to determine EC50 values for S1P1 receptor agonists.Principle of the assay: HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2.
7336	1	Inhibition Assay	S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 &#956;L was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 &#956;M final concentration of SAH and negative control (0% inhibition standard) contained 1 &#956;L of DMSO. SAH was then incubated for 30 minutes with 40 &#956;L per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 &#956;L per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE&#153; (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer).
7336	2	Inhibition Assay	Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 &#956;L , was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 &#956;M final concentration of SAH and negative control (0% inhibition standard) contained 1 &#956;L, of DMSO. Compound 75 was then incubated for 30 minutes with 40 &#956;L per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KC1, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). A substrate mix at 10 &#956;L per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer).
7336	3	Inhibition Assay	Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemate Plus equipped with 384-channel head (Thermo Scientific). The final top concentration of test compounds in the assay was 10 uM. Positive control (100% inhibition standard) was 1 mM final concentration of SAH and negative control (0% inhibition standard) contained 1 uL of DMSO. Test compounds were then incubated for 30 minutes with 40 uL per well of wild-type EZH2 (final concentration was 4 nM), Y641F EZH2 (final concentration was 0.1 nM) and A677G and A687V EZH2 (for each, final concentration was 2nM) and peptide in 1x assay buffer (20 mM BICINE pH =7.6, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). For the wild-type EZH2 and A677G EZH2 assays, biotinylated peptide H3:21-44 with unmethylated K27 was present at a final concentration of 200 nM, while in the A687V EZH2 assay, biotinylated peptide H3.
7327	1	Radioligand Dose-Displacement Binding Assays (mu)	Radioligand dose-displacement binding assays for mu-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2,1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Count.
7327	2	Radioligand Dose-Displacement Binding Assays (kappa)	Membranes from recombinant HEK-293 cells expressing the human &#954; opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2,50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of &#954; receptor membranes were stored at &#8722;80° C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4).
7327	3	GTPgammaS Functional Assay (mu)	[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinant mu opioid receptor in a HEK-293, CHO cell background, or purchased from a commercial source (Perkin Elmer, Shelton, Conn.; or DiscovRx, Fremont, Calif.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2,20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTPgammaS (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B.
7327	4	GTPgammaS Functional Assay (U-2)	[35S]GTPgammaS functional assays were conducted using freshly thawed pt-receptor membranes prepared in-house from a cell line expressing recombinant mu opioid receptor in a U-2 OS cell background, or purchased from a commercial source (Perkin Elmer, Shelton, Conn.; or DiscovRx, Fremont, Calif.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2,20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTPgammaS (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B.
7327	5	GTPgammaS Functional Assay (kappa)	Membranes from recombinant HEK-293 cells, CHO cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Functional [35S]GTPgammaS binding assays were conducted as follows. kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/ul kappa membrane protein (in-house), 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2,20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B.
7327	6	GTPgammaS Functional Assay	Membranes from recombinant U-2 OS cells expressing the recombinant human kappa opioid receptor (kappa) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Functional [35S]GTPgammaS binding assays were conducted as follows. kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/ul kappa membrane protein (in-house), 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2,20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B.
7337	1	Fluorescent Polarization Binding Assay	The buffer composition was 50 mM Tris, 200 mM NaCl, 2.0 mM DTT, and 0.005% Tween 20 (pH 8.0). Fragment ligated inhibitors and comparison peptides to be tested in the binding assay were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM, compounds were utilized in a range of concentrations from 10 nM to 600 &#956;M. The PLK1 PBD protein (residues 367-603) was obtained from BPS Bioscience Inc. (San Diego, Calif.) and 250 ng was used per sample. The fluorescein-tracer phospho-peptide was used at a final concentration of 100 nM. Each sample was prepared in triplicate in a black 96-well plate (Greiner, Monroe, N.C.). Reactants were added to the plate in darkened conditions to minimize exposure to light. Incubation was carried out at room temperature for 45 minutes. Fluorescence was measured using a DTX 880 Multimode detector plate reader (Beckman Coulter, Brea, Calif.) and Multimode Analysis software (Beckman Coulter).
7338	1	Radioligand Binding Assay	Assay Volume and Format:200 &#956;l in 96-well plateCell membrane homogenates (20 &#956;g protein) are incubated for 120 min at 22° C. with 0.5 nM [3H]PGE2 in the absence or presence of the test compound in a buffer containing 10 mM MES/KOH (pH 6.0), 10 mM MgCl2 and 1 mM EDTA.Nonspecific binding is determined in the presence of 10 M PGE2.Following incubation, the samples are filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters are dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
7338	2	cAMP Assay	1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 uL of reduced serum medium containing 0.5% FBS. Place the plate in a 37&deg; C. incubator with 5% CO2 and incubate overnight. 2. After 16-18 hours of incubation, aspirate the culture media from each well. 3. Add 200 ul of culture medium containing 500 uM IBMX (an inhibitor of cAMP phosphodiesterase) and different concentration of test compounds to the assigned wells. For each test compound, at least 8 concentrations starting at highest 10 M and lowest 0.01 pM were tested. In addition each concentration had triplicates. A PGE2 curve (concentrations from lowest to highest, 0 pM, 0.384 pM, 1.92 pM, 9.6 pM, 48 pM, 240 pM, 1200 pM, and 6000 pM) was always run in parallel with test compounds. 4. Incubate the cells in a cell culture incubator for 30 minutes. 5. Centrifuge the plate at 1,000x rpm for 10 minutes. 6. Aspirate the supernatant.
7338	3	SEAP Activity Assay	1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 ul of reduced serum medium containing 0.5% FBS. Place the plate in a 37&deg; C. incubator with 5% CO2 and incubate overnight. 2. After 16-18 hours of incubation, aspirate the culture media from each well. 3. Add 200 ul of culture medium containing different concentration of test compounds to the assigned wells. For each test compound, at least 8 concentrations starting at highest 10 M and lowest 0.01 pM were tested. In addition each concentration had triplicates. A PGE2 curve (concentrations from lowest to highest, 0 pM, 0.384 pM, 1.92 pM, 9.6 pM, 48 pM, 240 pM, 1200 pM, and 6000 pM) was always run in parallel with test compounds. 4. After 6-8 hours of stimulation with test compounds and PGE2, 10 ul of culture media from each well was transferred to a corresponding well of a 96-well solid black plate. Cover the plate with the lid.
7339	1	Cellular in Vitro Assay	On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates and kept in a cell incubator (96% humidity, 5% v/v CO2, 37° C.). On the day of the assay, the culture medium is replaced by a Tyrode solution (140 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 20 mM glucose, 20 mM HEPES), which additionally contains the cofactor coelenterazine (50 &#956;M), and the microtitre plate is then incubated for a further 3-4 hours. The test substances in various concentrations are placed for 10 to 20 minutes in the wells of the microtitre plate before the agonist [Arg8]-vasopressin is added, and the resulting light signal is measured immediately in the luminometer. 
7340	1	Enzyme Assay	The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which can be quantitatively measured using the Amplex Red (Invitrogen) detection. Amplex Red reagent is a colorless substrate that reacts with hydrogen peroxide (H2O2) with a 1:1 stoichiometry in the presence of hydrogen peroxide to produce highly fluorescent resorufin (excitation/emission maxima=570/585 nm). The changes in fluorescence were monitored by a fluorescence plate reader, Envision (Perkin Elmer) and increases in DAAO activity were readily detected upon addition of D-Serine and suppression of this response observed with the application of test compounds.Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.
7341	1	Fluorescent High Throughput P450 Assays	The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest); The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5).Materials and Methods: Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37&deg; C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths.
7342	1	Glutamate Receptor Activity	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. 
7343	1	Reporter Gene Assay	Transactivation Assay Expression vectors were prepared by inserting the ligand binding domain cDNA (complementary DNA) of human PPARalpha (amino acid 168-468) and human PPARgamma (amino acid 205-505), 3&#8242; to and in frame with, the yeast GAL4 transcription factor DNA binding domain and the nuclear localization signal from the T-antigen of Polyoma Virus into the mammalian expression vector pSGS (Stratagene). The resulting expression vectors pSGGAL-PPARalpha and pSGGAL-PPARgamma were used in co-transfection experiments together with a modified pGL3 promoter plasmid (Promega) containing five copies of the UAS GAL4 recognition site. 2.5 &#956;g pSGGAL-PPARalpha or pSGGAL-PPARgamma were mixed with 25 &#956;g pGL3p 1×UAS and 22.5 &#956;g pBluescript (Stratagene) in 0.95 mL ice cold PBS containing between 9-12 million U-2 OS (human osteosarcoma) cells. The cell/DNA mixture was incubated on ice for 5 minutes and then divided between two 0.4 cm cuvettes and electroporated at 960 &#956;F, 2
7344	1	[35S]-GTPgamaS Binding Assay	Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30&deg; C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
7345	1	Enzyme Activity Assay	Cells were washed two times with 200 &#956;L dPBS followed by the addition of 70 &#956;L of substrate (2.11 mM 3 mM 4-MU-&#945;-D-glu) in citrate-phosphate buffer (30 mM sodium citrate, 40 mM sodium phosphate dibasic, pH 4.0), and 2.5% DMSO to rows 1-12. Following incubation at 37° C. with 5% CO2 for about 3 h, 70 &#956;L of stop buffer (0.4 M glycine pH 10.8) was added to rows 1-12. The plate was read in a Victor2 multilabel counter-Wallac fluorescent plate reader and the fluorescence at F460 nm was determined b at an excitation of 355 nm and emission of 460 nm using 1 second read time per well. Enzyme activity per &#956;g of protein in the supernatant was calculated from the amount of fluorescence emitted, which is directly proportional to the amount of substrate hydrolyzed, and hence, the amount of Gaa activity in the lysate. 
7346	1	FLIPR TETRA Sodium Dye Assay	FLIPR or FLIPRTETRA Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, NaV1.7 alpha subunit, alone or in combination with various beta and gamma subunits at a density of 40,000 cells/well into a 96-well black, clear-bottom, PDL-coated plate. The assay can be adapted to 384-well or 1,536-well format, if desired, using proportionately less cells and media. The plate was then incubated in growth media, with or without selective antibiotic, overnight at 37&deg; C. at 5% CO2, 95% humidity, in preparation for the assay. For counter-screens of other voltage-gated sodium channels, the procedure was very similar, though optimal densities of cells, media and subsequent assay components can be fine-tuned for the particular cell line or isoform.The next day, at the start of the assay, the media was flicked from the cells and the wells were washed once.
7346	2	Electrophysiology Assay	Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc., Herndon, Va.) and incubated in a 5% CO2 incubator at 37&deg; C. Cultured cells were used approximately 12-48 hours after plating. Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system was used to apply test solutions directly to the cell under evaluation. This system consists of an array of glass pipette glass connected to a motorized horizontal translator. The outlet of the shooter was positioned approximately 100 um from the cell of interest.Whole cell currents were recorded using the whole-cell patch clamp configuration using an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.).
7347	1	Inhibition Assay	The cells expressing mouse EP1 receptor were seeded at 104 cells/well in 96-well plates and cultured for 2 days with 10% Fetal Bovine Serum (FBS)/alpha Modified Eagle Medium (alphaMEM) in the incubator (37&deg; C., 5% CO2). The cells were washed with phosphate buffer, and load buffer (10% FBS/ ±MEM containing Fura2/AM (5 uM), indomethacin (20 uM) and probenecid (2.5 mM)) was then added to each well and cells were left standing for 1 hour. Load buffer of each well was discarded and assay buffer (Hank's Balanced Salt Solution (HBSS) containing indomethacin (2.5 mM), probenecid (2.5 mM), HEPES-NaOH (10 mM) and 0.1% (w/v) Bovine Serum Albumin (BSA)) was added to each well and plates were left at room temperature in a dark room for 1 hour. Afterwards, compounds of the present invention (10 uL) or PGE2 (10 uL) prepared with assay buffer was added to each well and intracellular calcium concentrations were measured using a Fluorescence Drug Screening System.
7348	1	Inhibition Assay	TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separation) on glass coverslips for measurement. In some cases, cells were grown in low density overnight on glass coverslips. Patch clamp recordings were made in the whole-cell mode with a holding potential of -40 mV. Every 5 seconds, a voltage ramp was applied from -120 to +100 mV, 400 ms in duration. Currents elicited were quantified at -80 mV and +80 mV. The internal solution consisted of 140 mM cesium aspartate, 10 mM EGTA, 2.27 mM MgCl2, 1.91 mM CaCl2 and 10 mM HEPES, pH to 7.2 with KOH; with 50 nM calculated free Ca2+. External solution was Ringer's solution described above. Upon addition of 2-APB or upon heating of the extraceullar solution as described above, TRPV3 current was induced only in TRPV3-expressing cells and not in parental HEK293 TREx cells.
7349	1	Radioligand Binding Assay	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4&deg; C., frozen and stored at -80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000xg for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized.
7350	1	Inhibition Kinetics	IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimethylsulfoxide (DMSO) to reaction mixtures containing 250 &#956;M NADH, 30 &#956;M ddCoA, and 15 nM enzyme. The total amount of DMSO added was kept constant (final DMSO concentration of 2%).
7350	2	Steady-State Kinetics	Steady-state kinetics were performed on a Cary 100 Bio (Varian) spectrometer at 25 &deg;C using 30 mM PIPES, 150 mM NaCl, and 1.0 mM EDTA (pH 8.0) as the buffer. The reaction was followed by monitoring the oxidation of NADH to NAD+ at 340 nm (&epsilon; = 6220 M-1 cm-1), and initial velocities were obtained as a function of one of thesubstrates while keeping the second substrate constant. Characterization of the ypFabV mechanism was performed in reaction mixtures containing 5 nM enzyme and produced initial velocities at fixed concentrations of NADH (50, 100, and 250uM) and varying concentrations of ddCoA (1.5-24 uM), or at fixed concentrations of ddCoA (6, 12, and 24 uM) and varying concentrations of NADH (5-200 uM). Product inhibition studies were conducted in a similar manner except at a fixedconcentration of one of the products, lauroyl-CoA (0, 8, and 16 uM) or NAD+ (0, 50, and 100 -M), at subsaturating concentrations.
7351	1	LoxA Selectivity Assay	The one-point inhibition percentages were determined for human LOX inhibitors by following the formation of the conjugated diene product at 234 nm (&#949; = 25,000 M&#8722;1 cm&#8722;1) at an inhibitor concentration of 25 &#956;M. All reaction mixtures were 2 mL in volume and constantly stirred using a magnetic stir bar at room temperature (22 °C) with 7 nM LoxA. Reactions were conducted in 25 mM HEPES buffer (pH 7.0), 0.01% Triton X-100, and 10 &#956;M AA. The concentration of AA was quantitatively determined by allowing the enzymatic reaction to go to completion. Confirmed hitswere then screened against the human isozymes 5-LOX, 15-LOX-1, 15-LOX-2, and 12-LOX for specificity.
7351	2	LoxA HTP Assay	Briefly, 3 uL of enzyme (approximately 20 nM LoxA, final concentration) or buffer (no-enzyme control) was dispensed into 1536-well Greiner black clear-bottom assay plates using a BioRAPTR Flying Reagent Dispenser (Beckman Coulter, Fullerton, CA). Compounds and controls [broad spectrum LOX inhibitor, nordihydroguaiaretic acid (NDGA), concentration ranging from 3.4 mM to 0.208 uM] were transferred (23 or 46 nL) via Kalypsys PinTool, equipped with a 1536-pin array, to yield final library compound concentrations ranging from 114 uM to 0.73 nM. The plate was covered and incubated for 15 min at room temperature, followed by addition of a 1 uL aliquot of a substrate solution (40 uM arachidonic acid, final concentration; KM = 10 uM) to start the reaction, for a final assay volume of 4 uL. The reaction was stopped after 15 min [~90% conversion (data not shown)] by the addition of 4 uL of an FeXO solution (final concentrations of 200 uM XO.
7352	1	Hemoglobin Capture Assay	The assay was performed at 37 &deg;C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 uM NADPH, 0.83 mM CaCl2, approximately 320 units/mL calmodulin, 10 uM tetrahydrobiopterin, andhuman oxyhemoglobin (3 uM). This assay was performed in 96-well plates using a Biotek Gen5 microplate reader. NO production was read by monitoring the absorbance at 401 nm (resulting from the conversion of oxyhemoglobin to methemoglobin). Kinetic readouts were recorded for 6 min. Each compound was assayed in at least duplicate, and seven to nine concentrations (from 50 nM to 200 uM) were used to construct dose-response curves. IC50 values were calculated by nonlinear regression using GraphPad Prism, and Ki values were obtained using the Cheng-Prusoff equation [Ki = IC50/(1 + [S]/Km)] with the following Km values: 1.3 uM for rat nNOS, 1.7 uM for the rat nNOS D597N mutant, and 1.9 uM for the rat nNOS.
7353	1	Spectrophotometric Assay	This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R. C. J. 1989 J Neurosci Methods 30, 23-28) utilizing glutamate dehydrogenase as auxiliary enzyme. Samples consisted of the respective QC substrate, 0.3 mM NADH, 14 mM &alpha;-Ketoglutaric acid and 30 U/ml glutamate dehydrogenase in a final volume of 250 ul. Reactions were started by addition of QC and perused by monitoring of the decrease in absorbance at 340 nm for 8-15 min.The initial velocities were evaluated and the enzymatic activity was determined from a standard curve of ammonia under assay conditions. All samples were measured at 30&deg; C., using either the SPECTRAFluor Plus or the Sunrise (both from TECAN) reader for microplates. Kinetic data was evaluated using GraFit software.
7354	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol.
7354	2	HTRF FRET Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor compounds, prepared at 3x the desired final concentration in 1x BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1x BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1x BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C.
7356	1	Radioligand Binding Assay	Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay contained 100 uL of membrane suspension (20 ug of protein), 50 pt of a stock solution of agonist radioligand, and 50 uL of increasing concentrations of the test ligands in Tris-HCl buffer (50 mM, pH 7.5) containing 10 mM MgCl2. Nonspecific binding was determined using a final concentration of 10 uM NECA, a non-specific agonist, diluted with the buffer.The mixtures were incubated at 25&deg; C. for 60 min. Binding reactions were terminated by filtration through Whatman GF/B filters under a reduced pressure using a MT-24 cell harvester (Brandell, Gaithersburg, Md.). Filters were washed three times with 5 ml of 50 mM ice-cold Tris-HCl buffer (pH 7.5). The radioactive agonists [3H]R-PIA and [3H]CGS21680 were used for the A1 and A2AAR assays, respectively, while [125I]AB-MECA was used for the A3AR assay.
7357	1	Trans-Phosphorylation Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Specific peptide or protein substrates were trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors.At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP were captured by an excess of the ion exchange dowex resin; the resin then settled down to the bottom of the reaction plate by gravity. Supernatant was subsequently withdrawn and transferred into a counting plate, then evaluated by beta-counting. Kinase Buffer (KB):The buffer for PIM1 assay was composed of HEPES 50 mM, at pH 7.5, with 10 mM MgCl2, 1 mM DTT, 3 uM NaVO3, and 0.2 mg/mL BSA. Full-length human PIM1 was expressed and purified as described in Bullock A N, et al., J. Biol. Chem. 2005, 280, 41675-82.
7357	2	Trans-Phosphorylation Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.Specific peptide or protein substrates were trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-gamma-ATP, and in the presence of their own optimal buffer and cofactors. At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP were captured by an excess of the ion exchange dowex resin; the resin then settled down to the bottom of the reaction plate by gravity. Supernatant was subsequently withdrawn and transferred into a counting plate, then evaluated by beta-counting. Kinase Buffer (KB):The buffer for PIM2 assay was composed of HEPES 50 mM, at pH 7.5, with 1 mM MgCl2, 1 mM DTT, 3 uM Na3VO4, and 0.2 mg/mL BSA. Full-length human PIM2 was expressed and purified as described in Fedorov O, et al., PNAS 2007 104, 51, 20523-28.
7358	1	Kinase Activity Assay	TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, and fluorescently labeled peptides were purchased from Carna Biosciences and were of the highest quality available (QSS Assist TRKA_MSA Kit). Enzyme was purchased from Cell Signaling, and was used without further purification. 384-well round bottom assay plates were prepared by the addition of 200 nl of a DMSO solution of compound at various concentrations to final inhibitor concentrations ranging from 100 &#956;M to 0.2 &#956;M. Next, assay buffer (10 &#956;l) containing substrate and ATP were added, followed by addition of 10 &#956;l of enzyme in assay buffer. Final assays concentrations were: [E]=0.37 nM, [S]=1 &#956;M, [ATP]=2 mM. The reactions were incubated at room temperature for 3 hours resulting in approximately 15% substrate phosphorylation and were terminated by the addition of 5 &#956;l of stop buffer.
7359	1	Biochemical Assay	The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 &#956;L of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 &#956;M, 20 nM of purified enzyme, and 250 &#956;M of &#946;-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 &#956;L of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water). For the background control wells, 10 &#956;L of the 5× quenching solution per well was added prior to the addition of &#946;-NAD+.
7360	1	Aldosterone Synthase Inhibition Assay	The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria are prepared from frozen cynomolgus monkey adrenal glands according to Method A described in by J. D. McGarry et al. (Biochem. J., 1983, 214, 21-28), with a final resuspension in the AT buffer described in R. Yamaguchi et al. (Cell Death and Differentiation, 2007, 14, 616-624), frozen as aliquots in liquid nitrogen and stored at -80&deg; C. until use. Assays are performed in 96-well format in a final volume of 60 uL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additionally, 2 uM of corticosterone and 6 mg of mitochondrial protein. Reactions are started by the addition of NADPH to 1 mM and allowed to proceed for 60-90 minutes at 37&deg; C. Reactions are terminated by the addition of 60 uL of acetonitrile. One hundred microliters are then transferred to a glass filter plate and centrifuged at 570xg.
7361	1	Biological Assay	To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tests were conducted according to previously described methods (see Arrang J M, et al. European Journal of Pharmacology 1990; 188: 219-227; Tedford C E, et al. Journal of Pharmacology and Experimental Therapeutics 1995; 275: 598-604; Leurs R, et al. Journal of Pharmacology and Experimental Therapeutics 1996; 276: 1009-1015; and Cheng Y-C, et al. Biochemical Pharmacology 1973; 22: 3099-3108). Membrane preparations were incubated with [3H]-N-alpha-methylhistamine (0.5-1.0 nM) in the presence or absence of increasing concentrations of ligands for H3 receptor competition binding. The binding incubations were conducted in a final volume of 0.5 mL TE buffer at 25&deg; C. and were terminated after 30 minutes. Thioperamide (30 uM) was used to define non-specific binding. All binding reactions were terminated by filtration under vacuum.
7362	1	cAMPFunctional Assay	The assay is based on the competition between endogenous cAMP and exogenously added biotinylated cAMP. The capture of cAMP is achieved by using a specific antibody conjugated to Donor beads.Cell membranes prepared as described above, were resuspended in 1 ml stimulation buffer (HBSS 1x+BSA 0.1%+IBMX 0.5 mM+HEPES 5 mM+MgCl2 10 mM+GTP 1 nM+GDP 10 uM+ATP 100 uM - pH 7.4). Cell membranes were dispensed into white 384-well microplates at final concentration of 1 ug/well and used for the determination of cAMP with the alphascreen cAMP functional assay (EnVision-PerkinElmer). Cell membrane/anti-cAMP Acceptor beads mix (5 ul) and a mixture of analysed compounds (dissolved in 100% DMSO to a final maximal concentration of 0.01% DMSO)/PGE2 (5 ul) were incubated at room temperature (22-23&deg; C.) for 30 min in the dark. The Biotinylated-cAMP and donor beads (15 ul) were dispensed into each well to start the competition reaction.
7363	1	Radiometric-Based Assay (CK1&#945;)	Single-point measurements analyses and subsequent dose-dependent investigations of selected pteridine derivatives for inhibition of CK1&#945; were performed at Reaction Biology (USA) using a radiometric-based assay and ATP concentration of 10 µM. For more details related to the experimental conditions employed please consult the following websites: http://www.reactionbiology.com/webapps/site/KinaseDetail.aspx.
7363	2	KinaseGlo Plus Luminescent Assay	A stock solution of 5 % DMSO (BioReagent for molecular biology, Sigma Aldrich) in water was prepared. The CK1 substrate peptide RRKDLHDDEEDEAMSITA (Jena Bioscience, cat. no. PE-206, 2 mM stock solution in water) was diluted in water to a final concentration of 250 &#956;M. CK1&#948; or CK1&#400; kinases were diluted with CK1 dilution buffer to 50 ng / µL. In addition, fresh Reaction buffer was prepared containing 250 mM Tris-HCl (pH 7.5), 50 mM MgCl2, 5 mM DTT and 0.5 mg / mL bovine serum albumin (BSA). Compounds were serially diluted in 5 % DMSO solution to the desired concentrations (maximal concentration employed in the assay was 50 µM). Additional samples included blank sample containing Reaction buffer, water and CK1&#948; / CK1&#400; kinase and control sample containing Reaction buffer, CK1 substrate peptide and CK1&#948; / CK1&#400; kinase. CK1 substrate peptide, Reaction buffer and CK1&#948; / CK1&#400; kinase stock solutions were mixed in 1:1:1 ratio. 6 &#956;L of this mixtur
7363	3	Radiometric-Based Assay (Epiblastin A)	Single-point measurement analyses of Epiblastin A against a panel of 123 kinases was performed at Eurofins (former Milipore) using a radiometric-based assay and Km-ATP (Km is defined as the concentration of ATP that allows half-maximal reaction velocity) concentration for each individual kinase. Dose-dependent investigations of Epiblastin A against BrSK1, Egfr, eEF2k, Mknk2, Ripk2 and Stk10 have been performed under the same experimental setup, i.e. at Km-ATP value. Half-maximal inhibitory concentrations (IC50) were obtained by fitting the obtained data with three parameter nonlinear regression analysis using GraphPad Prism version 6.00 for Windows (GraphPad Software, USA). For more details related to the experimental conditions employed at Eurofins please consult the following website: http://www.eurofins.com/pharma-services/pharma-discovery-services/services/in-vitropharmacology/kinases/biochemical.aspx
7364	1	Formaldehyde Dehydrogenase-Coupled Demethylase (FDH) Assay	For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C until needed. Various compounds with the concentrations ranging from 1.25 mM to 5 nM in a half-log serial dilution were pre-incubated with the reaction mixture for 15 min (0.5 mM enzyme [E], 15 mM peptide [S], 50 mM (NH4)2Fe(SO4)2, 1 mM &#945;KG, and variable inhibitor [I] in the KDM5 reaction buffer with 10% DMSO). The addition of peptide and APAD+ initiated the reaction for 15 min at room temperature.
7364	5	Formaldehyde Dehydrogenase-Coupled Demethylase (FDH) Assay	For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C until needed. Various compounds with the concentrations ranging from 1.25 mM to 5 nM in a half-log serial dilution were pre-incubated with the reaction mixture for 15 min (0.5 mM enzyme [E], 15 mM peptide [S], 50 mM (NH4)2Fe(SO4)2, 0.1 mM &#945;KG, and variable inhibitor [I] in the KDM5 reaction buffer with 10% DMSO). The addition of peptide and APAD+ initiated the reaction for 15 min at room temperature.
7364	2	Isothermal Titration Calorimetry (ITC)	ITC experiments were carried out at an enzyme [E] concentration of 25-50 &#956;M with 0.25-1 mM compound [I] concentration in the KDM5 storage buffer with ~500 &#956;M MnCl2 and 10% (v/v) DMSO. A MicroCal Auto-iTC200 was used to perform 25 4-&#956;L injections of compounds into protein or buffer (to measure the heat of dilution)
7364	3	AlphaLISA Assay	Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 &#956;L of enzyme mix (final 10 nM), containing either full-length KDM5B, KDM5A, KDM5C, KDM5B(1-755)&#916;AP or KDM4A(1-350), was added using a BioRAPTR flying reagent dispenser (FRD; Beckman Coulter, Fullerton, CA) while buffer alone served as a negative control. A Kalypsys pin-tool was then employed to transfer 23 nL of compound solutions in DMSO to each well, yielding a final concentration range up to 57 &#956;M. Following a 10 min incubation at room temperature, 1 &#956;L of 4X substrate mix containing b-H3K4me3 peptide substrate (final 100 nM), &#945;KG (final 25 &#956;M), (NH4)2Fe(SO4)2 (final 50 &#956;M) and ascorbic acid (final 10 &#956;M) was added to initiate the reaction. Reactions were allowed to proceed at room temperature for 45 min. To detect demethylated b-H3K4me3 peptide product, reactions were incubated with 20 &#956;g/mL antim
7364	4	AlphaScreen Assay	Demethylase reactions and AlphaScreen assays were performed as described (Sayegh et al., 2013), with a few exceptions. All demethylase buffers contained 125 &#956;M &#945;KG, 50 &#956;M (NH4)2Fe(SO4)2 and 64 nM C-terminal H3K4me3(1-20)-GGK-biotinylated peptides (Sayegh et al., 2013). The enzymes were used at the following concentrations: 19 nM FLAG-KDM5A, 25 nM FLAG-KDM5B, 8 nM FLAGKDM5C, 29 nM His-FLAG-KDM6A, and 8 nM FLAG-KDM6B. Demethylation reactions contained 0.05% DMSO. The AlphaScreen general IgG (protein A) detection kit from PerkinElmer Life Sciences was used as described (Sayegh et al., 2013). The AlphaScreen optic module on a Pherastar (BMG Labtech) microplate reader was used to record luminescence emission at 570 nm.
7365	1	HotSpot kinase assay	IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 &#956;M ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate.
7366	1	High-Throughput Screening Assay	To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67).
7367	1	Kinase Inhibition Assay	This example shows that the inhibitory activity of the compound, N1'-[3-fluoro-4-[[7-[4-(hydroxyamino)-4-oxobutoxy]-6-methoxy-4-quinolyl]oxy]phenyl]-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide prepared in Example 9 in cells against kinases including ALK, AXL, FLT3, VEGFR2, c-KIT, c-MET, PDGFR-beta, RET and SRC (tested by Advanced Cellular Dynamics, 3550 General Atomics Court, Building 2, Room 639, San Diego, CA 92121. www.advancedcelldynamics.com and Carna Biosciences, Inc.(www.carnabio.com)) measured according to the method described in the literature (Reference: Daley, G. Q.; Baltimore, D. Proc. Natl. Acd. Sci. USA 1988, 85(23), 9312). Specific steps were as follows: The compound of the present invention was dissolved in dimethyl sulfoxide (DMSO) to make a stock solution of 2 mM, then the stock solution was diluted with DMSO following a 7 half-log series to concentrations ranging from 2 uM to 600 pM.
7367	2	Inhibition Assay	The inhibitions of activities of HDAC enzymes by the compounds N1'-[3-fluoro-4-[[7-[4-(hydroxyamino)-4-oxobutoxy]-6-methoxy-4-quinolyl]oxy]phenyl]-N1-(4-fluoro phenyl)cyclopropane-1,1-dicarboxamide prepared in Example 9 and N1'-[3-fluoro-4-[[7-[6-(hydroxyamino)-6-oxohexyloxy]-6-methoxy-4-quinolyl]oxy]phenyl]-N1-(4-fluo rophenyl)cyclopropane-1,1-dicarboxamide prepared in Example 13 were measured by Reaction Biology Corporation (Reaction Biology Corp., One Great Valley Parkway, Suite 2, Malvern, PA 19355, USA . http://www.reactionbiology.com/pages/hdac.htm). The HDAC enzymes tested include the following 11 HDAC isoforms: HDAC1, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9, HDAC10 and HDAC11.Specific steps were as follows: The compound of the present invention was dissolved in dimethyl sulfoxide (DMSO) to make a stock solution of 10 mM. The stock solution was diluted in 4-fold series starting from 10 mM to prepare 10 different dosages.
7368	1	Radiometric Calcium Assay	The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. Test compounds were dissolved in DMSO to prepare 10 mM stock solution and then diluted using plain medium with 0.1% BSA and 1.8 mM CaCl2 to get desired concentration. Final concentration of DMSO in the reaction was 0.5% (v/v). Human TRPA1 expressing CHO cells were grown in F-12 DMEM medium with 10% FBS, 1% penicillin-streptomycin solution, and 400 ug/ml of G-418. Cells were seeded 24 h prior to the assay in 96 well plates so as to get 50,000 cells per well on the day of experiment. Cells were treated with test compounds for 10 min followed by addition of AITC at a final concentration of 30 micromolar and 5 uCi/ml 45Ca+2 for 3 min at 25&deg; C. Cells were washed and lysed using buffer containing 1% Triton X-100, 0.1% deoxycholate and 0.1% SDS. Radioactivity in the lysate was measured in Packard Top count.
7368	2	Radiometric Calcium Assay	Radiometric calcium assay was performed as described above with some minor modifications. Assay was carried out in total volume of 200 &mu;l at 30&deg; C. (for TRPV1), 32&deg; C. (for TRPV3) and 25&deg; C. (for TRPV4 and TRPM8). Agonists used for selectivity screening of the different TRPs are: Capsaicin for TRPV1,2-aminoethoxydiphenyl borate for TRPV3, 4&alpha;-phorbol 12,13-didecanoate for TRPV4 and Icilin for TRPM8. After 2-5 minutes of agonist treatment, drug was washed and lysed in lysis buffer as mentioned above. Radioactivity in the lysate was measured in Packard Top count after addition of liquid scintillant.
7369	2	Cellular Firefly Luciferase Assay (AP-1)	Curcumin is a known inhibitor of the AP-1 activation cascade. Therefore, modification of the structure of curcumin could lead to analogs with enhanced activity. The library consisting of three series of curcumin analogs were used to examine the role of the enone functionality in aryl systems where the spacer is 7-carbons (as in curcumin), 5-carbons or 3-carbons in length. In addition, the importance of aryl ring substituents was assessed. The AP-1 activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293-luc cellular assay) developed for screening inhibitors of AP-1. This cell line is stably transfected with a luciferase reporter controlled by an AP-1 dependent promoter. The cell is stimulated with phorbol ester which activates AP-1. AP-1 then binds to one of three promoter regions on the cells DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light.
7370	1	In vitro MMP-8 Assay	The synthetic octapeptide substrate, containing the collagenase-susceptible glycine-isoleucine peptide bond, was incubated (37&deg; C.) with commercially-available chromatrographically-purified human neutrophil collagenase (MMP-8) in the presence of 1 mM Ca++ and the tripeptide degradation fragment and undegraded substrate were separated and measured by HPLC (Waters Alliance 2695 System with a reverse phase C-18 column).
7371	1	High Throughput FAAH Inhibition Assays	The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or the release of a reaction product (e.g., fatty acid amide or ethanolamine) produced by the hydrolysis of a substrate such as oleoylethanolamide or anandamide. The substrate may be labeled to facilitate detection of the released reaction products. High throughput assays for the presence, absence, or quantification of particular reaction products are well known to those of skill in the art. Thus, for example, U.S. Pat. No. 5,559,410 discloses high throughput screening methods for proteins, and U.S. Pat. Nos. 5,576,220 and 5,541,061 disclose high throughput methods of screening for ligand/antibody binding.
7372	1	Luciferase Assay	The stock cultures are grown, at 37&deg; C. and under 5% CO2, in DMEM/F12 medium containing 10% FCS (fetal calf serum) and in each case split 1:10 after 2-3 days. Test cultures are seeded in 384-well plates with 2000 cells per well and grown at 37&deg; C. for approx. 48 hours. The medium is then replaced with a physiological sodium chloride solution (130 mM sodium chloride, 5 mM potassium chloride, 2 mM calcium chloride, 20 mM HEPES, 1 mM magnesium chloride hexahydrate, 5 mM sodium bicarbonate, pH 7.4). The substances to be tested, which are dissolved in DMSO, are pipetted into the test cultures (maximum final concentration of DMSO in the test mixture: 0.5%) in a dilution series of from 5x10-11 M to 3x10-6 M (final concentration). 10 minutes later, forskolin is added to the A1 cells and all the cultures are subsequently incubated at 37&deg; C. for four hours. After that, 35 ul of a solution which is composed of 50% lysis reagent (30 mM disodium hydrogenphosphate, 10% glycerol, 3% TritonX100, 25 mM TrisHCl, 2 mM dithiotreitol (DTT), pH 7.8) and 50% luciferase substrate solution (2.5 mM ATP, 0.5 mM luciferin, 0.1 mM coenzyme A, 10 mM tricine, 1.35 mM magnesium sulfate, 15 mM DTT, pH 7.8) are added to the test cultures, which are shaken for approx. 1 minute and the luciferase activity is measured using a camera system.
7373	1	Cellular Enzyme Assay	G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 ug/ml G418 (Geneticin) at 37&deg C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
7374	1	In Vitro Screening Assay	PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined by detecting biotin coupled ADP-ribose that attaches to histone using chemiluminescence method with HT Universal Chemiluminescent PARP Assay Kit With Histone-coated Strip Wells purchased from TREVIGEN. The positive control compound was AZD-2281 purchased from SelleckChem.Method:  The kit is based on ELISA. X ul sample/well, Y ul PARP enzyme/well and PARP cocktail 25 ul/well with a total volume of 50 ul/well were added into a 96-well plate coated with histone. Meanwhile, blank control (without enzyme and sample) and negative control (without sample) were set. The plate was incubated at room temperature for 60 min; washed with 1xPBS (+0.1% TritonX-100) for twice; Strep-HRP 50 ul/well was added and incubated at room temperature for 60 min; and then washed with 1xPBS (+0.1% TritonX-100) for twice.
7375	1	EeAChE Inhibition Assay	The inhibition assay of these compounds for AChE (electrophorus electricus) and BuChE (equine serum) were determined by the spectroscopic method described by Ellman et al. which was adapted for 96-well microplates. 25 The standard compound used was galantamine. A 75 &#956;L of different concentrations of the sample was dissolved in buffer with a maximum of 10% DMSO, 25 &#956;L of ATCI (15 mM), and 125 &#956;L of DTNB 3 mM were added to the wells followed by 25 &#956;L of 0.3 U/mL AChE. The velocity was measured by the increase in the absorbance at 405 nm during 1 min time interval at 25 C in a BIO-TEK ELX800G microplate reader (using Gen5 v.1.05 software).
7375	2	EqBuChE Inhibition Assay	The in vitro BuChE assay was performed similarly to the method described above. A standard enzyme activity curve was drawn for each enzyme using seven different concentrations ranging from 0.1 U/mL to 1 U/mL and enzyme activity was calculated (one unit of enzyme will hydrolyze 1.0 &#956;mol of acetylthiocholine to thiocholine and acetate per minute). Inhibitory activity was calculated from 100 subtracted by the percentage of enzyme activity.
7376	1	Cytochrome b Enzyme Assay	The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buffer containing 100 mM Tris-Cl (pH 7.4), 10 mM sodium azide, 0.02% BSA, and 0.1% Tween 20. Mitochondria (~5 mg protein) and cytochrome c (final concentration50 mM) were then added, and the reaction was initiated by the addition of ubiquinol (50 mM), reduced from ubiquinone with dithionite. Reaction plates were incubated at room temperature for 10 min before reading absorbance at 550 nm. Absolute IC50 values were calculated in GraphPad Prism 6.0. Antimycin A (200 nM) was included on every plate as a control for 100% inhibition.
7377	1	DPPH Radical Scavenging Assay	Preparation of DPPH solution was adopted from Molyneux [J. Sci. Technol. 26(2):211-219] and Blois [Nature 181(4617):1199-1200] with minor modification. All the test compounds were dissolved in 95% ethanol. Briefly, 0.5 mL of test compounds were added (0 - blank control, 10, 25, 50, 100, 250, 500 and 1000 µg/mL) to 0.5 mL of DPPH (2 µM in 95% ethanol) and the mixture was incubated at room temperature for 30min. The absorbance was measured at 517nm [J. Pharm. Res. 2(9):1370-1372], and the percentage inhibition of test compounds was calculated using the following equation using Microsoft Excel software (version 2010). Ascorbic acid was used as the positive control [Int. J. Chem. Sci. 7(2):1117-1126].
7377	2	ABTS Free-Radical Cation Scavenging Assay	The ABTS free radical cation scavenging ability of the synthe- sized compounds was determined according to the procedure described earlier [Free Radical Biol. Med. 26(9-10):1231-1237]. ABTS was dissolved in distilled water (7x10^3 M) and potassium persulphate (2.45x10^3 M) was added. This reaction mixture was left overnight (12-16 h) in the dark, at room temperature. Various concentrations of test substances (1000 µg/mL 500 µg/mL, 250 µg/mL, 100 µg/mL, 50 µg/mL, 25 µg/mL, 10 µg/mL concentrations) were incubated with the ABTS+P solution for 30min. The absorbance was measured at 734 nm, and the % inhibition was calculated using the formula described in Eq. (1) and the IC50 was calculated. Ascorbic acid was used as the positive control.
7377	3	Anticholinesterase Enzyme Inhibition Assay	The in vitro AChE inhibitory activity was measured using the methods described earlier [Biochem. Pharmacol. 7:88-95]. Briefly, stock solutions (1mg/mL) of test compounds were prepared using DMSO. Working solutions (0.01-100µg/mL) were prepared by serial dilutions. The various concentrations of test compounds (10 µL) were pre-incubated with sodium phosphate buffer (0.1M; pH 8.0; 150 µL), and AChE solution (0.1 U/mL; 20 µL) for 15 min at 25 C. The reaction was initiated by addition of DTNB (10 mM; 10 µL) and ATChI (14 mM; 10 µL). The reaction mixture was mixed using a cyclomixer and incubated for 10min at room temperature. The absorbance was measured using a microplate reader at 410 nm wavelength against the blank reading containing 10µL DMSO instead of test compound. The % inhibition was calculated using the formula described in Eq. (1) and the IC50 was calculated. Donepezil (0.01-100µg/mL) was used as the positive control.
7378	1	null	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80 ° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
7378	2	GTPgammaS Binding Assay	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60&deg; C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
7379	1	Fluorescence Polarization (FP) Assay	Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 384-well plate reader (Tecan) with the 485 nm excitation and 535 nm emission filters. The fluorescence intensities parallel (Intparallel) and perpendicular (Intperpedicular) to the plane of excitation were measured in parallel perpendicular black 384-well NBS assay plates (Corning) at room temperature (20&deg; C). The background fluorescence intensities of blank samples containing the references buffer were subtracted and steady-state fluorescence polarization was calculated using the equation: P=(Intparallel Gintperpendicular)/(Intparallel+Gintperpendicular), and the correction factor G (G=0.998 determined empirically) was introduced to eliminate differences in the transmission of vertically and horizontally polarized light. All fluorescence polarization values were expressed in millipolarization units (mP).
7379	2	NMR Assay	All NMR spectra were acquired at 298 K on a Bruker DRX 600 MHz spectrometer equipped with a cryoprobe. Typically, NMR samples contained 0.1-0.2 mM protein in 50 mM KH2PO4 and 50 mM Na2HPO4, pH 7.4, containing 150 mM NaCl and 5 mM &#946;-Mercaptoethanol. Water suppression was carried out using the WATERGATE sequence. NMR data were processed using the Bruker program Xwin-NMR version 3.5. NMR ligand binding experiments were carried out in an analogous way to those previously described. See D&#39;Silva L., et. al., J. Am. Chem. Soc. 2005, 127, 13220-13226 and Popowicz G. M., et. al., Cell Cycle. 2007, 6, 2386-2392. The maximum concentration of DMSO at the end of titration experiments was less than 1%. The pH was maintained constant during the entire titration. The 1H-15N-HSQC spectra were recorded using fast HSQC pulse sequence as described by Mori et. al., J. Magn. Reson. B 1995, 108, 94-98.
7380	1	CETP Inhibition Assay	A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 ug) and 5,5'-dithio-bis-(2-nitrobenzoic acid) (7 mM, 15 ul) were taken in a 96 well plate and the total amount of the mixture was adjusted to 48.5 ul with the PBS solution. The test compound [DMSO solution (concentration: 0.15, 0.5, 1.5, 5, 15, 50, 150 and 500 uM; 1.5 ul] was added to each well and the mixture was incubated in a thermostatic bath at 37&deg; C. for 60 minutes. The reconstituted HDL (50 ul) described in (1) above was added to each well and the mixture was reacted in a thermostatic bath at 37&deg; C. for 60 minutes. The 96 well plate was moved onto ice and a precipitation reagent [a mixed solution of magnesium chloride (60 mM) and 0.1% dextran sulfate [1/1 (v/v)]; 15 ul] was added to each well, and then the mixture was allowed to stand on ice for 15 minutes.
7381	1	Time-Resolved Fret (TR-FRET) Assay	1) The compound is dissolved in DMSO to prepare a 10 mM solution, and was diluted to 100 micoM with water. When used for IC50 measurement, series dilutions of 10 fold from 100 micoM are used. Kinase activity was determined with time-resolved Fret (TR-FRET) assay (LanthaScreen kinase activity assay, from InVitrogen).2) The assay is performed in a Black 384-well plate (from Corning). The kinase and the compound was incubated for 30 mM at room temperature. ATP (1 mM) and fluorescein-poly GT were added, and the reaction was incubated for 15 mM. Detection agent SA-XL665 (from Cisbio Assay) and TK Ab-Cryptate detection antibody (from InVitrogen) were added to stop the reaction.3) The 384-well plate was sealed and incubated for 1 hour. The fluorescence was then measured at 620 nM (Cryptate) and 665 nM (XL655) wavelength.4) Each concentration of compound was done in triplicate, and vehicle (without compound) and a positive control were used.
7382	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm.
7383	1	Cellular In Vitro Assay	On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates and kept in a cell incubator (96% humidity, 5% v/v CO2, 37° C.). On the day of the assay, the culture medium is replaced by a Tyrode solution (140 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 20 mM glucose, 20 mM HEPES), which additionally contains the cofactor coelenterazine (50 &#956;M), and the microtiter plate is then incubated for a further 3-4 hours. The test substances in various concentrations are placed for 10 to 20 minutes in the wells of the microtiter plate before the agonist [Arg8]-vasopressin is added, and the resulting light signal is measured immediately in the luminometer.
7384	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates. To this end, 1.5 ug of the DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK biotin-NH2 (biotin-DNA-PK peptide), in a total volume of 36.5 ul (34.25 mM HEPES/KOH, 7.85 mM Tris-HCl, 68.5 mM KCl, 5 uM ATP, 6.85 mM MgCl2, 0.5 mM EDTA, 0.14 mM EGTA, 0.69 mM DTT, pH 7.4), were incubated at room temperature for 90 min with 500 ng of DNA from calf thymus, 0.1 uCi of 33P-ATP and 1.8% of DMSO per well with or without the test compound. The reaction was stopped using 50 ul/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 ul of 0.9% sodium chloride solution. A non-specific reaction (blank value) was determined using 10 uM of a proprietary kinase inhibitor.
7385	1	Immobilized Metal Affinity Polarization (IMAP) Assay	The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK13, FITC-labeled substrate, and test compound. Full-length 6-His-tagged MAPK13 and constitutively active GST-MKK6 were prepared as described below. Activated MAPK13 was generated in 50 mM Hepes, 10 mM MgCl2 and 1 mM DTT, containing 1 uM MAPK13, 2 uM MKK6 and 50 uM ATP for 1 h at 25&deg; C. MKK6 was removed by incubation with glutathione SEPHAROSE 4B beads (GE Healthcare Biosciences). MAPK13 activation was confirmed by Western blot using anti-phospho-p38-MAPK (T180/Y182) antibody (R& D Systems, Minneapolis, Minn.). IMAP assays were performed in 96-well non-treated half-area black plates or 384-well black plates (Corning Inc., Corning, N.Y.) in a final reaction volume of 20 ul using the linear phase of the rate kinetics. Assay reactions contained 0-100 uM test compound, 5-35 nM (EC80) activated MAPK13, 3 uM.
7386	1	KiNativ assay	Sample preparation: A375 cells from ATCC are lysed by sonication in commercially available lysis buffer, cleared by centrifugation, and the resulting supernatant gel filtered into a commercially available kinase reaction buffer containing 20 mM MnCl2. Final protein concentration of lysates are 10 mg/mL. 5 ul of each test compound is added from 100 uM, 10 uM, 1 uM, or 0.1 uM stock solutions in DMSO to 500 uL of lysate in duplicate for final concentrations of 1 uM, 0.1 uM, 0.01 uM, and 0.001 uM. 5 ul, of DMSO is added to 500 ul of lysate in quadruplicate for controls. After 15 minute incubation, desthiobiotin-ATP acylphosphate probe is added to each sample to a final concentration of 5 uM and incubated with the samples for 10 minutes. Following the probe reaction, samples are prepared for targeted mass spectrum analysis using ActivX standard protocol.
7387	1	AMPK Activation Assay	In the 384-well plates 1.25 ul of test compound in assay buffer (20 mM HEPES pH 7.0, 0.025% BSA, 15 mM MgCl2, 0.01% Brij) was mixed with 1.25 ul of AMPK and 1.25 ul of the peptide (final concentration of 1 uM) and 1.25 ul of ATP (final concentration of 30 uM), both dissolved in assay buffer. This step was followed by an incubation time of 60 min. Then 5 ul of ADP Glo Reagent was added. This was followed by 40 min of incubation. Then 10 ul of Kinase Detection Reagent was admixed. The plates were sealed and after an incubation period of 30 min, the luminescence signal was measured in an Envision reader. All incubation steps were accomplished at room temperature. Each assay microtiter plate contained wells with vehicle controls instead of compound (0.1% DMSO in water) as reference for the low signal (100% CTL, low signal), and wells with serial dilutions of AMP (final 30 uM) as reference for high signals. The luminescence signal generated was proportional to the ADP concentration produced and was correlated with AMPK activity.
7388	1	Radioligand Displacement Assay (SR141716)	Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values were determined. Selectivity of these compounds at CB1 versus CB2 was also determined by obtaining Ki values at either receptor using displacement of SR141716 ([3H]1 in membranes of CHO-K1 cells over-expressing either receptor. Data reported are average values from 3-6 measurements.
7388	2	Radioligand Displacement Assay (CP55940)	Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values were determined. Selectivity of these compounds at CB1 versus CB2 was also determined by obtaining Ki values at either receptor using displacement of [3H]CP55940 in membranes of CHO-K1 cells over-expressing either receptor. Data reported are average values from 3-6 measurements.
7389	1	PIM Enzyme Assay	The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112) and employs HTRF (homogeneous time resolved fluorescence) technology to detect the product in a 96-well plate format. The phosphorylation of biotinylated-BAD (S112) peptide by full length recombinant Pim-1, Pim-2, or Pim-3 protein was detected with streptavidin:Allophycocyanin (APC) conjugate and a europium (Eu) labeled antibody directed against phosphorylated-BAD (S112). Excitation of Eu by a high energy laser light (337 nm) leads to a transfer of energy to the APC molecule, and results in an emission at 665 nm. The fluorescence is directly proportional to the amount of phosphorylated BAD peptide present in the reaction.Compounds were prepared in DMSO by conducting 3-fold serial dilutions to give a 10-point dosing curve having a high dose of 1 uM. A reference compound was included on each assay plate in order to validate that plate.
7389	2	PIM-Mn Enzyme Assay	The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112) and employs HTRF (homogeneous time resolved fluorescence) technology to detect the product in a 384-well plate format. The phosphorylation of biotinylated-BAD (S112) peptide by full length recombinant Pim-1, Pim-2, or Pim-3 protein was detected with streptavidin:Allophycocyanin (APC) conjugate and a europium (Eu) labeled antibody directed against phosphorylated-BAD (S112). Excitation of Eu by a high energy laser light (337 nm) leads to a transfer of energy to the APC molecule, and results in an emission at 665 nm. The fluorescence is directly proportional to the amount of phosphorylated BAD peptide present in the reaction.Compounds were prepared in DMSO by conducting 3-fold serial dilutions to give a 22-point dosing curve having a high dose of 1 uM. A reference compound was included on each assay plate [Costar 3658].
7390	1	Proteolytic Activity Assay	The proteolytic activity was estimated at pH 5.0, 37 °C using 0.1 M acetate buffer as the incubation medium. The homogenate prepared above was incubated with the buffer at 37 °C for 3 h and 24 h (Fig. 1), separately. The reaction was stopped by the addition of TCA and the resulting solution was centrifuged to precipitate proteins. The acid soluble proteins were quantitated in the supernatant using Bradford method [Anal. Biochem., 72:248-254].
7391	1	HIV-1 RT Colorimetric Assay	The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was incubated at 37 °C for 1 h and then transferred to streptavidin-coated microtitre plate (MTP). The biotin-labeled dNTPs that were incorporated in the template due to activity ofRT, bound to streptavidin. The unbound dNTPs were washed using wash buffer and anti-DIG-POD was added to the MTP. The DIGlabeled dNTPs incorporated in the template were bound to an anti-DIG-POD antibody. The unbound anti-DIG-POD was washed again with washing buffer and the peroxide substrate (ABST) was added to the MTP. A colored reaction product was produced during the cleavage of the substrate catalyzed by a peroxide enzyme. The absorbance of the sample was determined as an optical density (OD) at 405 nm using a micro titer plate ELISA reader.
7393	1	In-vitro LOX Inhibition Assay	It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234 nm. It is based on the principle that the increase of absorbance at 234 nm due to formation of 9- and 13- hydroperoxides by LOX with substrate (linoleic acid). This reaction does not occur as the enzyme gets inhibited due to addition of inhibitor in it. Briefly, the stock solution of lipoxygenase was prepared by dissolving 10,000 units/ml of Lipoxidase in 200 mM borate buffer, pH 9, and 5 uL of 80 mmol linoleic acid. Six different concentrations of inhibitors were selected, and made for determining the enzyme inhibition activity. Increasing concentrations of inhibitors were added to enzyme solution and kept for 5 min followed by substrate addition and kept at room temperature with stirring for 20 min. One sample was also kept which does not contain any inhibitor instead it contain vehicle of inhibitor solution.
7394	1	In vitro VEGFR Kinase Inhibition Assay	The inhibition was carried out in 96-well polystyrene round bottomed plates. These plates were precoated with 100 ul per well of 50 ug per ml poly(Glu:Tyr, 4:1) peptide (Sigma) in PBS. The kinase reaction was performed in the plates by addition of 50 ul of kinase buffer (50 mM HEPES, 125 mM NaCl, 10 mM MgCl2, pH 7.4) containing 100 uM of ATP, 10 ng of KDR (Invitrogen, catalytic domain of VEGFR2), and the compound to be tested (0.1 uM, 0.5 uM, 1 uM, 5 uM and 10 uM). The compounds were dissolved in DMSO and were further diluted with PBS. After 30 min of exposure, the plates were washed 2x3 times with PBS and inoculated with 50 ul per well of 0.2 ug per ml HRP conjugated antiphosphotyrosine antibody (Santa Cruz). After two washes, the plates were developed by addition of 50 ul per well tetramethylbenzidine (Sigma) and the reaction was terminated by addition of 50 ul per well of 2 N H2SO4. The absorbance at 450 nm was measured by a 96-well plate reader (Tecan) [Bioorg. Med. Chem. Lett., 16 (2006) 5127-5131.
7395	1	Fluorescent Assay	The assays were performed by mixing either 0.2 &#956;M E. coli OPPS, Y107A/F108A S. cerevisiae GGPPS, or Y96A/F97A human GGPPS with various concentrations of MANT-O-GPP and cold IPP as specified. For MANT-O-GPP Km measurements, 0.5&#8722;5 &#956;M MANT-O-GPP was used with 50 &#956;M cold IPP. For IPP Km and kcat determination, 3.5 &#956;MMANT-O-GPP was utilized to saturate the enzyme with cold IPP from 2 to 50 &#956;M. A standard curve was generated to correlate the fluorescence changes upon incubation with 0.2 &#956;M enzyme, 0.5, 1, 2, 3.5, or 5 &#956;M MANT-O-GPP, and 50 &#956;M cold IPP for 30 min until the reaction reached completion.
7395	2	Radioactive Assay	To measure the kinetic constants by radioactive assays, 0.2 &#956;M wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human GGPPS were mixed with various concentrations of either FPP or MANT-O-GPP, and [14C]IPP as specified. For FPP or MANT-O-GPP Km measurements, 0.5&#8722;5 &#956;M FPP or MANT-O-GPP was used with 50 &#956;M [14C]IPP. For [14C]IPP Km and kcat determinations, 3.5 &#956;M FPP or MANT-O-GPP was utilized to saturate the enzyme and 2&#8722;50 &#956;M [14C]IPP was added; 40 &#956;L portions of the reaction mixtures were periodically withdrawn and mixed with 10 mM EDTA to chelate with Mg2+ and stop the enzyme reactions.
7396	1	GAR Transformylase Inhibition Assay	GARFTase activity was determined by measuring the rate of 5,8-dideazatetrahydrofolate production in the presence of varying concentrations of antifolate inhibitors using an established spectrophotometric protocol.39 A 150 &#956;L total volume containing 30 &#956;M &#945;,&#946;-GAR, 5.4 &#956;M 10-CHODDF and antifolate (stock solution dissolved in DMSO) in 0.1 M HEPES (pH 7.5) was preincubated at 37 °C in a UV. To initiate the assay, 150 &#956;L of 20 nM His-GARFTase or buffer was added, and the plate was shaken for 5 s. Absorbance changes at 295 nm wererecorded at 15 s intervals over 20 min using a Synergy H1M plate reader (BioTek). For each antifolate, triplicate assays were performed at 20 different drug concentrations.
7397	1	Caliper-based Mobility Shift Assay	IC50&#145;s for HG-9-91-01 derivatives were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP-tagged hSIK2 (4 nM) was incubated with HG-9-91-01 derivatives in buffer containing 100 mM HEPES 7.5, 10 mM MgCl2, 2.5 mM DTT, 0.004% Tween20, 0.003% Brij-35, 30 &#956;M ATP and 1.5 &#956;M ProfilerPro FL-Peptide 10 (5-FAMKKKVSRSGLYRSPSMPENLNRPR-COOH, PerkinElmer, Catalog No. 760354) at rt. Reactions were quenched by adding 20 mM EDTA (pH 8) after 1 hr, and percentage of substrate conversion was measured by LabChip EZ Reader II (PerkinElmer).
7397	2	AlphaLISA-based IL-10 Detection	Concentration-dependent effects of HG-9-91-01 analogs on IL-10 release and cellular cytotoxicity in Zymosan A-stimulated BMDCs were measured using AlphaLISA-based IL-10 detection (PerkinElmer) or CellTiterGlo (Promega) as described previously.
7398	1	Kinase Assay	Inhibitors (initial concentration 10 or 60 &#956;M, three-fold serial dilutions) were incubated with IRE1&#945;* in cleavage buffer (20 mM HEPES at pH 7.5, 0.05% Triton X-100 (v/v), 50 mM potassium chloride, 1 mM magnesium chloride, 1 mM DTT) for 30 min, followed by incubation with 10 &#956;Ci [&#947;-32P] ATP(3,000 Ci mmol&#8722;1, PerkinElmer) at 23 °C for 3 hours. Samples were then spotted onto phosphocellulose paper and washed in triplicate with 0.5% phosphoric acid and autoradiographed. The percent inhibition was quantified by setting the background as 0 and standardizing to IRE1&#945;* without compound treatment.
7398	2	In vitro RNase Assay	5&#8242;-Carboxyfluorescein (FAM)- and 3&#8242;-Black Hole Quencher (BHQ)-labeled XBP1 single stemloop mini-substrate (5&#8242;FAM-CUGAGUCCGCAGCACUCAG-3&#8242;BHQ) were purchased fromDharmacon  We incubated 0.25 &#956;M IRE1&#945;* or dP-IRE1&#945;* with inhibitors or DMSO for 30 min in assay buffer (20mM Tris at pH7.5, 50mM sodium chloride, 1mM magnesium chloride, 2mM DTT, 0.05% Triton X-100 (v/v)), followed by incubation with 1 &#956;M RNA substrate for 10 min. The reaction was quenched by adding urea to a final concentration of 4 M, and the fluorescence was detected on a SpectraMax M5 microplate reader (Molecular Devices) or a Perkin Elmer 2104 Envision microplate reader with excitation and emission wavelengths of 494 nm and 525 nm, respectively. The fluorescence intensities were normalized by setting the signal for the reaction without IRE1&#945;* to 0.
7399	1	Lipo-oxygenase Inhibitory Assay	Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 mm phosphatebuffer at pH 5.0 (25 mL). A linoleic acid solution was prepared by mixing 5 mg of linoleic acid with 50 mg Tween-20 in 3 mL water and then diluted with KOH 100 mmto a final volume of 5 mL. In the standard assay, the sample in ethanol (25 uL), SLO (EC 1,13,11,12; 4000 units/mL; 25 uL) and phosphate buffer, pH 7.0 (50 mm; 900 uL), were mixed in a test-tube and preincubation was carried out for 5 min at room temperature. A control test was done with the same volume of ethanol. Afterthe preincubation, linoleic acid solution (50 uL) was added to start the peroxidation reaction, and, 7 min later, solution A (270 uL) and then solution B (130 uL) were added to start the color formation. Further, 5 min later, 200 uL of a 2% SDS solution was added to terminate the reaction.
7400	1	beta-Galactosidase Assay	Enzymatic activity of beta-galactosidase from Escherichia coli (1.2 x 10^-10 M) was measured using the colorimetric substrate ortho-nitrophenyl-b-galactoside ([ONPG]: 2500, 2000, 1500, 1000, 500, 250, 125 uM) in Z-Buffer (100 mM sodium phosphate at pH = 7, 10 mM KCl, 1 mM MgSO4) to which was added fresh 50 mM beta-mercaptoethanol at 30 &deg;C. In a 96-well plate were combined a 5x stock solution of Z-buffer (containing 250 mM beta-mercaptoethanol) and 5x stock solutions of ONPG. Samples were adjusted to a final volume of 180 uL with water. Samples were equilibrated at 30 &deg;C for 5 minutes on a Synergy H1 microplate reader. A 10x stock solution of enzyme (20 uL) was then injected into each well and the production of 2-nitrophenol was quantified at 410 nm over a period of 10 minutes.
7401	1	Phosphorylation Assay	Phosphorylation of the appropriate peptide substrate (fluorescently labeled Srctide) by recombinant JAK3 (catalytic domain, aa 781-1124) was measured in the presence and absence of different concentrations of test compounds. Test compound, enzyme, fluorescently labeled substrate, and cofactors (ATP and Mg2+) were combined in a well of a microtiter plate and incubated for 2 hours at 25&deg; C. The composition of the reaction buffer was 100 mM HEPES pH 7.5, 5 mM MgCl2, 0.01% Triton-X 100, 0.1% Bovine Serum Albumin, and 1% DMSO. Enzyme concentration in the final reaction mixture was 0.5 nM while peptide substrate was at 1 uM. ATP was used at 1xKm concentration corresponding to 2 uM. Serial dilutions (3-fold steps) of compounds were prepared in DMSO. At the end of the incubation, the reaction was stopped by the addition of 20 mM EDTA. Substrate and product (i.e. phosphorylated substrate) were separated electrophoretically and both were quantified by fluorescence intensity.
7402	1	Receptor Activity Assay	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured.
7403	1	Chemiluminescent PARP Assay	Tankyrase activity was assayed using a 96-well format HT Universal Chemiluminescent PARP Assay Kit (Trevigen, Inc, cat. no. 4676-096-K) according to the manufacturer's instructions. In short, tankyrase/PARP activity is quantified by the incorporation of biotinylated nicotinamide adenine dinucleotide (biotin-NAD+) onto the immobilised pseudo substrate, Histone. The extent of poly(Biotin-ADP)ribosylation (PARylation) in the presence of increasing dose of inhibitor is then quantified by binding of streptavidin conjugated horse radish peroxidase (strep-HRP) followed by chemiluminescent detection. Prior to assay initiation, inhibitor stocks were prepared in aqueous DMSO (10% (v/v)) from 5 millimolar (mM) stock in 100% DMSO (Sigma Aldrich, cat. no. 265855) as 10x concentrations. For the primary assay (i.e., single dose at 1 micromolar (uM) final concentration) this corresponded to 10 uM in 10% DMSO.
7404	1	FAAH Assay	Enzyme activity was demonstrated in a radioenzymatic test based on measuring the product of hydrolysis (ethanolamine [3]H) of anandamide [ethanolamine 1-.sup.3H] (American Radiolabeled Chemicals; 1 mCi/ml) with FAAH (Life Sciences (1995), 56, 1999-2005 and Journal of Pharmacology and Experimented Therapeutics (1997), 283, 729-734), Analytical. Biochemistry (2003), 318, 270-5. In addition, routine assays were performed monitoring hydrolysis of arachidonyl-7-amino-4-methylcoumarin amide (AAMCA) by following increase in fluorescence upon release of 7-amino 4-methyl coumarin (&lambda;EX=355 nm, (&lambda;EM=460 nm). Analytical. Biochemistry (2005), 343, 143-51. Assays are performed on either cell lysate fractions prepared as described or in whole cell format employing either the fluorescent substrate AAMCA (Cayman chemical, Ann Arbor, Mich.,) or 3H-anandamide ([ETHANOLAMINE-1-3H] American Radiolabeled Chemicals; 1 mCi/ml). The cell lysate assay is performed in black PerkinElmer OptiPlates-384F.
7406	1	In Vitro Assay	Rat recombinant PDE10a (rPDE10a) was expressed in Sf9 cells using a recombinant rPDE10a baculovirus construct. Cells were harvested after 48 h of infection and the rPDE10a protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 uL) were added in 384 well plates to 20 uL of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 uL of rPDE10a enzyme in incubation buffer was added and the reaction was started by addition of 10 uL substrate to a final concentration of 60 nM cAMP and 0.008 uCi3H-cAMP. The reaction was incubated for 60 min at rt. After incubation, the reaction was stopped with 20 uL of 17.8 mg/mL PDE SPA beads. After sedimentation of the beads during 30 min the radioactivity was measured in a Perkin Elmer Topcount scintillation counter.
7406	2	In Vitro Assay	Human recombinant PDE10A2 was expressed in Sf9 cells, using a recombinant baculovirus construct containing the full length sequence containing a 6 His sequence following the start Met to allow metal affinity purification of the recombinant protein. Cells were harvested and the phosphodiesterase protein was purified by metal chelate chromatography on Ni-sepharose 6FF.The affinity of the compounds of Formula (I) for phophodiesterases (PDE) was measured by a scintillation proximity assay (SPA). PDE Yttrium Silicate SPA beads allow PDE activity to be measured by direct binding of the primary phosphate groups of non-cyclic AMP or GMP to the beads via a complex iron chelation mechanism. The amount of bound tritiated product ([3H]-AMP) is measured by liquid scintillation counting.The compounds were dissolved and diluted in 100% DMSO in polystyrene plates to a concentration of 100-fold the final concentration in the assay. Human PDE10A enzyme solution (10 uL) was added.
7407	1	Enzyme Assay	Briefly, rPRCP was incubated in the presence or absence of various PRCP inhibitors in HEPES-carbonated buffer containing 1 mM Ala-Pro-paranitroaniline (APpNA, a PRCP chromogenic substrate). The final volume was 100 &#956;L and the time of incubation was 60 min. Negative control had only 1 mM APpNA in HEPES-Carbonated buffer. Generation of free p-nitroaniline from APpNA was determined by monitoring changes in absorbance at 405 nm. Assays were done a minimum of 3 times.
7407	2	Activation Assay	Human pulmonary artery endothelial cells (HPAEC) were purchased from Invitrogen (Carlsbad, Calif.) and were cultured as previously described.20 The cells were grown in Dulbecco&#39;s Modified Eagle&#39;s Medium (DMEM) overnight in 96 well plates (Costar). Cells were washed gently three times with HEPES-carbonated buffer (137 mM NaCl, 3 mM KCl, 12 mM NaHCO3, 14.7 mM HEPES, 5.5 mM Glucose, 0.1% Gelatin, 2 mM CaCl2, 1 mM MgCl2, 7.1 pH, 37° C.) between each incubation step. Gelatin blocking buffer (1% Gelatin) was prepared by adding appropriate amount of 5% gelatin stock to HEPES-carbonated buffer as described above. In the first step, gelatin blocking buffer was used to reduce the non specific binding. As part of this step, the cells were incubated with 1% gelatin buffer for 1 hour. 
7408	1	Inhibition Assay	The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M Tris (pH 8.0), 0.15 M NaCl, 10 mM CaCl2, 0.05% Brij38) (B). The r-h trypsin was diluted with a buffer to 0.088 ug/mL, and the m-trypsin was diluted with a buffer to 1/50 (C). The dilution ratio of the m-trypsin (1/50) was set to exhibit the same activity as the 0.088 ug/mL r-h trypsin as determined by kinetic analysis. The substrate solution of a substrate for the enzyme reaction, BZiPAR, (Rhodamine Reference Substrate) was diluted with a buffer to 5 umol/L (D). B; 5 uL, C; 5 uL, and D; 10 uL were added to a 384-plate, and incubated at room temperature for 30 minutes. The fluorescent signals were detected with Ex/Em = 497/520 using Tecan Safire Fluorometer. The compound was reviewed from 2500 nM to its 3-fold value, 0.0075 nM, at 12 concentrations, and the inhibitory rate of each compound was calculated.
7410	1	Inhibition Assay	The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay buffer containing (v/v) 3% DMSO) or, in the control experiments, with the vehicle in a multiple assay plate. After incubation for 15 min at room temperature, as substrate then bradykinin carrying an N-terminal Bodipy FL (4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-propionyl) label (JPT Peptide Technologies GmbH; dissolved in assay buffer) was added to the mixture. The final concentration of cathepsin A was 833 ng/ml and the final concentration of labeled bradykinin 2 &#956;M. After incubation for 15 min at room temperature the reaction was stopped by the addition of stop buffer (130 mM 2-(4-(2-hydroxy-ethyl)-piperazin-1-yl)-ethanesulfonic acid, pH 7.4, containing (v/v) 0.013%° Triton X-100, 0.13% Coating Reagent 3 (Caliper Life Sciences), 6.5% DMSO and 20 &#956;M ebelactone B (Sigma, #E0886)).
7411	1	Fluorescence-Based Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve.
7412	1	&#946;-Glucuronidase assay	&#946;-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 µL was the volume of total reaction. Reaction mixture containing 5 µL of test compound solution, 185 µL of 0.1 M acetate buffer and 10 µL of enzyme solution wereincubated for 30 min at 37 °C. At 405 nm the plates were recorded on multiplate reader (SpectaMax plus 384) after the addition of 50 µL of 0.4 mM p-nitrophenyl-&#946;-D-Glucuronide. Experiments were performed for triplicate. To avoid precipitation compound concentration were decreased and the volume of reactionwas high (200 µL). Precipitation probability was less thus addition of detergents was not needed.
7413	1	Acetylcholinesterase Assay	Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 mM well-1) was added, followed by the addition of 10 µL (0.005 unit well-1) enzyme. The contents were mixed and pre-read at 405 nm. Then contents were pre-incubated for 10 min at 37 °C. The reaction was initiated by the addition of 10 µL of 0.5 mM well-1 substrate (acetylthiocholine iodide), followed by the addition of 10 µL DTNB (0.5 mM well-1). After 15 min of incubation at 37 °C absorbance was measured at 405 nm using 96-well plate reader Synergy HT, Biotek, USA. All experiments were carried out with their respective controls in triplicate. Eserine (0.5 mM well-1) was used as a positive control.
7413	2	Butyrylcholinesterase Assay	Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added followedby the addition of 10 µL (0.5 unit well-1) BChE (Sigma Inc.). The contents were mixed and pre-read at 405 nm and then preincubated for 10 min at 37 °C. The reaction was initiated by the addition of 10 µL of 0.5 mM well-1 substrate (butyrylthiocholine chloride). Followed by the addition of 10 µL DTNB, 0.5 mM well-1. After 15 min of incubation at 37 °C, absorbance was measured at 405 nm using 96-well plate reader Synergy HT, Biotek, USA. All experiments were carried out with their respective controls in triplicate. Eserine (0.5 mM well-1) was used as positive control.
7414	1	GSK-3&#946; activity assay	In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 µL (20 ng) of enzyme were added to each well followed by 20 µL of assay buffer containing 25 lM substrate and 1 µM ATP. The final DMSO concentration in the reaction mixturewas less than 1%. After incubation at 30 °C for 30 min, the enzymatic reaction was quenched with 40 µL of Kinase-Glo reagent. Luminescence was recorded after 10 min using Infinite F200 PRO multimode reader (Tecan).
7415	1	&#946;-Glucuronidase Bioassay	&#946;-Glucuronidase activity was determined by measuring the absorbance at 405 nm of p-nitrophenol formed from the substrate by the spectrophotometric method. The total reaction volume was 250 µL. The reaction mixture contained 185 µL of 0.1 M acetate buffer, 5 µL of test compound solution, 10 µL of enzyme solution was incubated at 37 °C for 30 min. The plates were read on a multiplate reader (SpectraMax plus 384) at 405 nm after the addition of 50 µL of 0.4 mM p-nitrophenyl-b-D-glucuronide. All assays were run in triplicate. Furthermore to avoid precipitation, the concentration of the compounds was decreased and the reaction volume was high (200 µL) so the chance of precipitation was less hence the addition of detergents was not needed.
7416	1	In vitro Carbonic Anhydrase Inhibition Assay	CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229]. The reaction mixture contains 50 mM Tris-SO4 buffer (pH = 7.4), 3 mM 4-nitrophenylacetate and enzyme solution in 1 ml total volume. A reference measurement was done by using the same cuvette without enzyme solution. The measurement was repeated in triplicate at each concentration of 5-amino-1,3,4-thiadiazole-2-sulfonamide containing pyrazole derivatives.
7417	1	Thymidine Phosphorylase Assay	The Thymidine phosphorylase/PD-ECGF (E. coli) activity was determined by measuring the absorbance at 290 nm spectrophotometrically. In brief, total reaction mixture of 200 uL contained 145 uL of potassium phosphate buffer (pH 7.4), 30 uL of enzyme (E. coli) at concentration 0.05 and 0.002 U, respectively, were incubated with 5 uL of test materials for 10 min at 25 &deg;C in microplate reader. After incubation, preread at 290 nm was taken to deduce the absorbance of substrate particles. Substrate (20 uL, 1.5 mM), was dissolved in potassium phosphate buffer, was immediately added to plate and continuously read after 10, 20, and 30 min in microplate reader (spectra max, molecular devices, CA, USA). All assays were performed in triplicate.
7418	1	Carbonic Anhydrase (bCAII) Inhibition Assay	This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled with 140 µL of Tris-HEPES solution, 20 µL of bovine erythrocyte carbonic anhydrase II solution (0.1-0.2 mg/2000 mL), and 20 µL of 0.7 mM para-nitrophenyl acetate (diluted in ethanol). Test compounds were incubated at 25-28 °C for 15 min prior to addition of para-nitrophenyl acetate, which starts the reaction. The reaction was allowed to taking place for 30 min at 25-28 °C. All compounds tested in triplicate at different concentration. The amount of product that forms during thereaction monitored at 400 nm after 30 min using SPECTRA-max 340 spectrophotometer, Molecular Devices (USA).
7419	1	AChE and BuChE Inhibition Assay	The reaction mixture was consisted of 100 µL of the total volume. To the solution of PBS (pH 8.0, 30 µL) consisted of KH2PO4 and K2HPO4 in 96-well plate, the solution of enzyme AChE (15 µL, 0.132 U/mL or BuChE (15 µL, 0.04 U/mL) in the PBS was added and followed by the addition of the synthesized compounds (20 µmol/L, 25 µL DMSO). The resulting mixture were thoroughly mixed, pre-incubated for 10 min at 37 °C and pre-read at 412 nm. The reaction started by the addition of 15 µL of 4mM well-1substrate (acetylthiocholine iodide-ATCI or butyrylthiocholine chloride-BuSCH), followed by the incorporation of 15 µL of 6 mM well-1 Ellman solution (DTNB). After 30 min of incubation at 37 °C, absorbance was recorded at 412 nm by 96-well plate reader Bio-Rad Laboratories Inc. All experiments were performed with their respective standards (controls) in triplicate. As a positivecontrol Huperzine A (0.8 µM well-1) or Iso-OMPA (16.0 µM well-1) was practiced.
7420	1	ALR1 in vitro Inhibition Assay	The assay results were obtained at 340 nm and ALR1 inhibitory activity was measured with the absorbance change at this respective wavelength. Each well contains 200 µL of assay mixture containing potassium phosphate buffer 100 mM at pH 6.2 with test sample 20 µL of 10 mM, 70 µL enzyme preparation and 40 µL of10 mM sodium D-glucoronic acid as a substrate. This mixture was incubated at 37 °C for 5 min and 50 µL of 0.1 mM NADPH as a cofactor was added and the read was obtained at 340 nm. The assay mixture was incubated again at 37 °C for 10 min and the read was taken at the respective UV range in ELIZA plate reader. As positive and negative control, 10 mM valproic acid (20 µL) and buffer solution (20 µL) were used [Biol. Chem., 240:877-882].
7420	2	ALR2 in vitro Inhibition Assay	The activity of ALR2 enzyme was determined at 340 nm in UV spectrophotometer that depends upon the measurement of NADPH consumption. Each well of the 96-well plate contains 200 µL of assay mixture consisting of potassium phosphate buffer 100 mMat 6.2 pH, 20 µL of 10 mM test sample, 70 µL of enzyme preparation and substrate D,L-glyceraldehyde (40 µL), all mixture was incubated at 37 °C for 5 min and then 0.1 mM NADPH (50 µL) was added as a cofactor in the enzyme reaction and read was measured at 340 nm and followed by incubation at 37 °C for 10 min and thenabsorbance was measured in Eliza plate reader at respective wavelength. Negative and positive control used were 10 m M buffer (20 µL) and 10 mM sulindac (20 µL) [Med. Chem. Commun., 5:1371-1380].
7421	1	&#945;-Glucosidase inhibition assay	&#945;-Glucosidase inhibition assay was performed spectrophotometrically. &#945;-Glucosidase from Saccharomyces cerevisiae (Sigma-Aldrich) was dissolved in phosphate buffer (pH 6.8, 50 mM). Test compounds were dissolved in DMSO. In 96-well microtiter plates, 20 µL of test sample, 20 µL of enzyme (20 mU/mL) and 135 µL of buffer were added and incubated for 15 min at 37 °C. After incubation, 25 µL of p-nitrophenyl-&#945;-D-glucopyranoside (2 mM, Sigma Aldrich) was added and change in absorbance was monitored for 20 min at 400 nm. Test compound was replaced by DMSO (10% final) as control. Acarbose (Sigma-Aldrich) was used as a standard inhibitor. The assays were done in triplicate.
7422	1	BRD4-BD1 Binding Assay	11 compounds were evaluated against BRD4-BD1 in vitro with compound 28a as the reference compound. BRD4 (44-168 aa) was bought from Active Motif. After preparing 1× assay buffer (modified HEPES Buffer), target compounds were transferred to assay plate by Echo, and the final concentration of DMSO solution was 0.1%. Then the preparation of protein solution and substrate solution in 1× assay buffer was performed. After that, 5 µL of protein solution was transferred to assay plate and incubated at room temperature for 15 min. The protein concentration was 5 nM. Then 5 µL of substrate solution was added to each well to start reaction with an incubation period for 60 min at room temperature. Finally, 15 µL acceptor and donor solution were added, followed by another incubation period for 60 min at room temperature under subdued light.
7423	1	Biochemical Assay	The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions were performed in 96 well plate format, and product formation was followed at A340 nm over a 10 min interval at 25° C. using a POWERWAVE XS microplate scanning spectrophotometer (Bio-Tek Instruments, Winooski, Vt., USA). Reactions were performed in 0.1 M Tris HCl, pH 8.0 containing 2 mM MgCl2, 1 mM CDNB, 2 mM GSH, 2.5 ng/&#956;1 purified H-PGDS and 10% (v/v) ethanol in a 200 &#956;l reaction volume. IC50 values were calculated from rates of conjugation activity determined at eight concentration points bracketing the IC50, where compound solubility allowed, and were corrected for background activity at the same solvent concentrations. All compounds were made up in 100% DMSO and diluted with 0.1 M Tris HCl, pH 8.0 with 2 mM MgCl2.
7424	1	Cell Proliferation Assay	The compounds was tested for inhibition of SCF dependent proliferation using human Mo7e cells which endogenously express c-kit in a 384 well format. Three-fold serially diluted test compounds (Cmax=10 mM) were evaluated for their antiproliferative activity of Mo7e cells stimulated with human recombinant SCF. After 48 hours of incubation at 37° C., cell viability was measured by adding 25 uL of CellTiter Glo (Promega) to the cells and the luminescence was measured by a CLIPR CCD camera (Molecular Devices).
7425	1	Z'-LYTE Kinase Assay	The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30&deg; C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM).
7426	1	Fluorescence Polarization Assay	In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716). Amplification with Easy-A polymerase (Stratagene, La Jolla, Calif.) was 95&deg; C. for 2 minutes followed by thirty three cycles of 95&deg; C. for 40 seconds, 55&deg; C. for 30 seconds, and 72&deg; C. for 2 minutes 48 seconds. Final extension was 72&deg; C. for 7 minutes. The PCR product was TA cloned into pcDNA3.2-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. AD293 cells with 70-80% confluency were transiently transfected with human PDE10A2.
7427	1	Biological Assay (Test 1)	Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100 mMNa phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 uM and detailed kinetic studies with doubling dilutions of substrate from 250 uM. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader. The first test compound prepared in DMSO is added to column 1 of the top row.
7427	2	Biological Assay (Test 2)	Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100 mMNa phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 uM and detailed kinetic studies with doubling dilutions of substrate from 250 uM. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader. The second test compound is added to column 6 of the top row.
7427	3	Biological Assay	Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100 mMNa phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 &#956;M and detailed kinetic studies with doubling dilutions of substrate from 250 &#956;M. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader.
7428	1	Mps-1 Kinase Assay	For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium- ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 uM=> final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=> final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 ul assay volume). The reaction was stopped by the addition of 3 ul of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-Jugesheim, Germany]. The resulting mixture was incubated 1 h at 22&deg; C. to allow the binding of the phosphorylated peptide to the anti-phospho(Ser/Thr)-Europium-antibody. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Europium-labelled anti-phospho(Ser/Thr) antibody to the Streptavidin-XLent. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a Viewlux TR-FRET reader (PerkinElmer LAS, Rodgau-Jugesheim, Germany).
7430	1	Spectrophotometric Assay	The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J.; Emmerson, B. T.; de Jersey, J. Purification and characterization of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase and comparison with the human enzyme. Mol. Biochem. Parasitol. 1999, 98, 29-41; Plasmodium vivaxhypoxanthine-guanine phosphoribosyltransferase: a target for anti-malarial chemotherapy. Kerough, D. T. Hockova. D, Krecmerova, M., Naesens, L., Brereton, I. M., de Jersey, J and Guddat, L, W, Mol. Biochem. Parasitol (2010) 173: 165-169). The Ki values are Ki(app) as they were measured at a single concentration of the second substrate. The concentration of the second substrate (guanine) was saturating: 60 &#956;M. 
7430	2	Growth Inhibition Assay	The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitro antimalarial activity of the compounds. Briefly, synchronised parasite cultures (>90% rings, 6 to 8 h post invasion) in [3H]-RPMI-LPLF complete medium with 1% parasitaemia and 2% haematocrit were exposed to the compounds at ten two-fold concentrations. Chloroquine was used as a reference drug. Uninfected RBCs at 2% haematocrit were used as background controls. Two drug exposure periods were evaluated (48 h and 96 h). For the 48 h exposure period, the plates were incubated in the gas mixture at 37&deg; C. for approximately 20 h (about 24 h post-invasion). To each well, 0.2 uCi of tritiated hypoxanthine (GE Healthcare, Amersham) solution in [3H]RPMI-1640-LPLF was added. The plates were incubated for a further 24 h at 37&deg; C. in the gas Mixture and then frozen at 20&deg; C. For the 96 h exposure period, the plates were incubated.
7430	3	Spectrophotometric Assay	The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J.; Emmerson, B. T.; de Jersey, J. Purification and characterization of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase and comparison with the human enzyme. Mol. Biochem. Parasitol. 1999, 98, 29-41; Plasmodium vivaxhypoxanthine-guanine phosphoribosyltransferase: a target for anti-malarial chemotherapy. Kerough, D. T. Hockova. D, Krecmerova, M., Naesens, L., Brereton, I. M., de Jersey, J and Guddat, L, W, Mol. Biochem. Parasitol (2010) 173: 165-169). 
7431	1	In Vitro Assay 	All assays, which are performed in 96-well microtiter plates, measure proteolytic activity of the enzyme (factor Xa) by following cleavage of a paranitroanilide peptide substrate. The assay buffer used for proteolytic assays was Tris buffered saline (20 mM Tris, 150 mM NaCl, 5 mM CaCl2, 0.1% Bovine serum albumin (BSA), 5% dimethly sulfoxide (DMSO) pH 7.4). In a 96-well microtiter plate, inhibitor was serially diluted to give a range of final concentrations from 0.01 nM to 10 &#956;M. Duplicate sets of wells were assayed and control wells without inhibitor were included. Enzyme was added to each well, (factor Xa concentration=1 nM), the plate was shaken for 5 seconds and then incubated for 5 minutes at room temperature. S2765 was added (100 &#956;M final) and the plate was shaken for 5 seconds (final volume in each well was 200 &#956;L). The degree of substrate hydrolysis was measured at 405 nm on a Thermomax plate reader (Molecular Devices, Sunnyvale, Calif.) for 2 minutes. 
7432	1	ABL1 Kinase Mobility-Shift Assay	Axitinib was tested with the Caliper LabChip3000 assay (Caliper Life Science, Hopkinton, Mass.), which is a mobility-shift assay (MSA) that combines the basic principles of capillary electrophoresis in a micro-fluidic environment. Axitinib was prepared in 100% DMSO, diluted to 25% DMSO with 20 mM HEPES pH 7.5, and added to the reaction for a final DMSO concentration of 6%. Inhibitor concentrations varied from 1.0 uM to 0.00003 uM. Typical reactions were 20 uL, contained ABL1 or ABL1 [T315I], ATP (ABL1; 25 uM and ABL1 [T315I]; 5 uM), 1.0 uM ABLtide, 5 mM MgCl2, 2 mM DTT, 0.01% Triton X-100 (Sigma-Aldrich, St. Louis, Mo.), 6% DMSO in 20 mM HEPES pH 7.5. The mixture was incubated in a 384-well polypropylene plate at room temperature for an hour and terminated by the addition of 60 uL of QuickScout Screening Assist MSA Buffer (Carna Biosciences, Kobe, Japan).
7432	2	Z&#8242;-LYTE Screening Assay	Axitinib was tested using a Z&#8242;-LYTE Screening Protocol (Invitrogen, Carlsbad, Calif.). Axitinib was prepared in 100% DMSO, and added to the reaction for a final DMSO concentration of 1%. Inhibitor concentrations varied from 1.0 &#956;M to 0.00003 &#956;M. Typical reactions were 10 &#956;L, contained ABL1 or ABL1 [T315I], ATP (ABL1; 10 &#956;M and ABL1 [T315I]; 5 &#956;M), 2.0 &#956;M Tyr 02 peptide, 10 mM MgCl2, 1.0 mM EGTA, 0.01% BRIJ-35, 1% DMSO in 50 mM HEPES pH 7.5. The mixture was incubated in a 384-well polypropylene plate at room temperature for an hour and terminated by the addition of 5 &#956;L of a 1:64 dilution of the development reagent utilized with Z&#8242;-LYTE Screening Protocol, followed by a 30 second shake. 
7433	1	Competitive Binding Assay	A synthetic 14-mer peptide, TN14003, was previously reported to block both SDF-1/CXCR4 mediated invasion in vitro and metastasis in vivo with a high specificity by binding competitively with its ligand SDF-1. Aa competitive binding assay using biotin-labeled TN14003 and streptavidin-conjugated rhodamine was developed to determine the binding efficiency of new chemical entities to the SDF-1 binding domain of CXCR4. Cells incubated with high affinity compounds show only blue nuclear staining, whereas compounds with low affinity result in staining CXCR4 (red; rhodamine) as well as the nuclei (blue; cytox blue).
7434	1	Inhibition Assay	Mouse VCP cDNA was added with a DNA sequence corresponding to histidine tag at the amino-terminal, subcloned into a baculovirus vector pVL1392 (BD Bioscience), and expressed in Sf-9 insect cells. The protein was purified with a nickel column (GE Healthcare). The concentration of the protein was adjusted to 0.25-0.5 ug/ml and the protein was stored in a solution containing 50 mM TrisCl pH 8.0, 5 mM EDTA, 10% glycerol, and 15 mM DTT. The ATPase activity was determined as follows. 500 ng of the purified VCP was mixed with 100 uM [gamma-32P]ATP (18.5 GBq/mmol) and the test substance in 20 uL of ATPase buffer (20 mM HEPES (pH7.4), 50 mM KCl, 5 mM MgCl2, 15 mM DTT), and incubated at 37&deg; C. for 10 minutes.The enzyme reaction was stopped with addition of 200 uL of an ice-cold solution containing 7% TCA and 1 mM K2HPO4. 50ul of a solution containing 3.75% ammonium molybdate and 0.02M tungstate silicic/3 NH2SO4 was added, followed by 300 uL of n-butylacetic acid.
7435	1	AlphaScreen Assay	The compounds of the present invention can be evaluated by using an aggrecanase ADAMTS-4 and ADAMTS-5 AlphaScreen assay (Miller J. A., et al. Anal. Biochem. 2003, 314, 260-265), with the following modifications: Typically 3 or 4 nM ADAMTS-4 or 2.1 nM ADAMTS-5 is incubated with 80 nM 43-mer peptide substrate+/- inhibitors (1% final DMSO concentration) for 3 hours at room temperature in a white non-binding surface 96 well plate (Corning 3990). Inhibitors are serially diluted 3-fold and tested at final starting concentrations of up to approximately 100 uM. The assay is then quenched with a cocktail containing EDTA (62.5 mM), 50 mM Tris(hydroxymethyl)aminomethane (Tris), (pH 7.5), 10 mM calcium chloride, 100 mM sodium chloride, 0.2% Brij 35 (main component of polyoxyethylene (23) lauryl ether), 0.1% Bovine Serum Albumin (BSA), BC3 monoclonal antibody hybridoma supernatant (1:2000 final dilution), streptavidin conjugated donor beads and anti-mouse IgG conjugated acceptor beads.
7435	2	Shift AlphaScreen Assay 	The AlphaScreen Assay is modified to include the testing of inhibitors against ADAMTS-5 in the presence of 50% Lewis rat plasma in order to determine the effects of plasma protein binding on inhibitor potency. The ratio between the IC50 of the inhibitor against ADAMTS-5 in 50% Lewis rat plasma versus the IC50 of the inhibitor in buffer is calculated and is described as the plasma shift of the inhibitor. The assay is completed in the same manner using 10 nM ADAMTS-5 instead of 2.1 nM. A similar assay is used with dog ADAMTS-4 in the presence of 25% dog plasma. 
7435	3	In Vitro Fluorescence Assay	A continuous assay is used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin, Mca), which is quenched by energy transfer to a 2,4-dinitrophenyl group. The substrate is the peptide Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH. When the peptide is cleaved by MMP a large increase in fluorescence is observed. The source of the enzyme for this assay is full-length, recombinant, human pro-MMP-2 expressed in Chinese Hamster Ovary (CHO) cells that is subsequently activated by an organomercurial compound, 4-aminophenyl mercuric acetate (APMA). APMA is removed through a desalting column (MMP-2 Calbiochem catalog number PF023). The assay buffer consists of 100 mM Tris-HCl (pH 7.5), 100 mM NaCl, 10 mM CaCl2 and 10 uM human serum albumin Each well of the 96-well plates consists of a 100 uL reaction mixture consisting of assay buffer, MMP (final concentration of 0.2 nM, prepared by diluting in assay buffer).
7436	1	Inhibition Assay	Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M9636) and polyvinyl alcohol USP (2.32% w/v) (P1097) are obtained from Sigma. A Malachite Green Assay (see Methods Mol Med, 2003, 85:149 for method details) is used for examination of ATPase activity of Hsp90 protein. Briefly, Hsp90 protein in assay buffer (100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2) is mixed with ATP alone (negative control) or in the presence of Geldanamycin (a positive control) or a compound of the invention in a 96-well plate. Malachite green reagent is added to the reaction. The mixtures are incubated at 37° C. for 4 hours and sodium citrate buffer (34% w/v sodium citrate) is added to the reaction. The plate is read by an ELISA reader with an absorbance at 620 nm.
7437	1	Dopamine D2 Receptor Binding Assay	The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of 3H-raclopride. A potent substituted benzamide drug with high affinity for dopamine D-2 receptors in the rat brain. Biochem. Pharmacol., 1985; 34: 2251-2259). The binding assay was performed using 40 ul of the membrane specimen, 20 ul of [3H]-raclopride (final concentration 1 to 2 nM), 20 ul of a test drug and 50 mM Tris-hydrochloric acid buffer (containing 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, pH 7.4) so that the total amount was 200 ul (final dimethylsulfoxide concentration 1%). The reaction was performed at room temperature for 1 hour and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate. The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation cocktail was added.
7437	2	Serotonin 5-HT2A Receptor Binding Assay	The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (R 41 468), a selective 3H-ligand for serotonin 2 receptor binding sites. Mol. Pharmacol., 1982, 21: 301-314). The binding assay was performed using 40 ul of the membrane specimen, 20 ul of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ul of a test drug and 50 mM Tris-hydrochloric acid buffer (pH 7.4) so that the total amount was 200 ul (final dimethylsulfoxide concentration 1%). The reaction was performed at 37&deg; C. for 20 minutes and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate.The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation cocktail was added and the radioactivity was measured with a microplate scintillation counter.
7438	1	High ATP Kinase Assay	For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany) 2 l of a solution of the above FGFR-1 fusion protein in aqueous assay buffer [8 mM MOPS pH 7.0, 10 mM magnesium acetate, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumin (BSA), 0.07% (v/v) Tween-20, 0.2 mM EDTA] was added, and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compound to the enzyme. Then, the kinase reaction was started by the addition of 3 ul of a solution of adenosine triphosphate (ATP, 3.3 mM; final concentration in the 5 ul assay volume=2 mM) and substrate (0.16 uM; final concentration in the 5 ul assay volume=0.1 uM) in assay buffer, and the resulting mixture was incubated for a reaction time of 15 min at 22&deg; C. The concentration of FGFR-1 fusion protein was adjusted depending on the activity of the enzyme lot.
7438	2	Kinase Assay	For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany) 2 ul of a solution of the above FGFR-3 fusion protein in aqueous assay buffer [8 mM MOPS pH 7.0, 10 mM magnesium acetate, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumin (BSA), 0.07% (v/v) Tween-20, 0.2 mM EDTA] was added, and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compound to the enzyme. Then, the kinase reaction was started by the addition of 3 ul of a solution of adenosine triphosphate (ATP, 16.7 uM; final concentration in the 5 ul assay volume=10 uM) and substrate (0.8 uM; final concentration in the 5 ul assay volume=0.5 uM) in assay buffer, and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of FGFR-3 fusion protein was adjusted depending on the activity of the enzyme lot.
7439	1	Thallium Flux Assay	The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-Lysine microplates and kept in a 37&deg; C.-10% CO2 incubator overnight. On the day of the experiment, the growth media is replaced with the FluxOR reagent loading buffer and incubated, protected from light, at ambient temperature (23-25&deg; C.) for 90 min. The loading buffer is replaced with assay buffer+/-test compound followed by 30 min incubation at ambient temperature, where the Thallium/Potassium stimulant is added to the microplate.Step Protocol 1. Seed HEK-hKir1.1 cells (50 uA at 20,000 cells/well) in 384-well PDL coated Microplates 2. Allow cells to adhere overnight in humidified 37&deg; C./10% CO2 incubator 3. Completely remove cell growth media from microplate and replace with 25 ul loading buffer 4. Incubate Microplate at room temperature, protected form light, for 90 min.
7439	2	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37&deg; C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066) for approximately 6 min at 37&deg; C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4.
7440	1	BACE Enzyme Assay (Ex.434)	Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-(QXLT 520)-OH (AnaSpec, San Jose, Calif.) and truncated human beta-secretase (residues 1-458, His6-tagged at the C-terminus) expressed in insect cells D. melanogaster S2 using a baculovirus expression system (Mallender et al., Characterization of recombinant, soluble beta-secretase from an insect cell expression system., Mol Pharmacol 59:619-26, 2001). The assay was performed at room temperature in 96-well white opaque Optiplates aque Optiplates (PerkinElmer, Waltham, Mass.) in a total volume of 200 ul of the incubation mixture containing 50 mM sodium acetate buffer, pH 4.5, 0.4 uM FRET substrate, 2.4 nM enzyme, 5% DMSO, and 0.05% Brij-35. The tested compounds were serially diluted in DMSO and pre-incubated with the substrate. The reaction was started by addition of enzyme.
7440	2	BACE Enzyme Assay (Ex.435)	For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fused to a myc-his tag and secreted from HEK293/BACEect. cells into OptiMEM (Invitrogen) as enzyme source and a substrate peptide derived from the APP-Swedish mutation which possesses a Cy3-fluorophore at the N-terminus and a Cy5Q-quencher at the C-terminus (Cy3-SEVNLDAEFK-Cy5Q-NH2; Amersham). The substrate was dissolved at 1 mg/mL in DMSO.The assay was performed in the presence of 5 ul OptiMEM (supernatant collected over 24 hours and cleared from cellular debris by centrifugation) containing the ectodomain of BACE, 25 ul water containing the desired concentration of test compound and 1% DMSO, substrate peptide, 20 mM NaOAc, pH 4.4 and 0.04% Triton-X100 in a total assay volume of 50 ul in a 384 well plate. In general, 25 ul of compound dilution were given to the plate followed by the addition of 10 ul of BACE.
7441	1	Tyrosinase Activity Assay	Briefly, 1,3,4-thiadiazole derivatives were tested for diphenolase inhibitory activity of tyrosinase using L-DOPA (dihydroxyphenylalanine) as substrate. All the compounds were dissolved in DMSO and its final concentration in the reaction mixture was 2.0%. Thirty units of mushroom tyrosinase (0.5 mg/ml) were first pre-incubated with the compounds, in 50 mM phosphate buffer (pH 6.8), for 10 min at 25 °C. Then the L-DOPA (0.5 mM) was added to the reaction mixture and the enzyme reaction was continuously monitored by measuring the change in absorbance at 475 nm of formation of the DOPA chrome for 1 min.
7442	1	MAO-A and MAO-B Fluorescence Assay	Recombinant human MAO-A and MAO-B were used for these studies and kynuramine served as enzyme substrate. Kynuramine is oxidised by both MAO isoforms to yield 4-hydroxyquinoline as ultimate product. For the enzyme reactions MAO-A (0.0075 mg/mL) or MAO-B (0.015 mg/mL), the substrate (50 &mu;M) and the test inhibitors (0.003-100 &mu;M) were combined and incubated for 20 min. For this purpose potassium phosphate buffer (pH 7.4, 100 mM) served as solvent. At endpoint the reactions were alkalinised (NaOH) and the fluorescence intensity of 4-hydroxyquinoline was measured (kex = 310 nm; kem = 400 nm).
7443	1	Gel-based ABPP (LYPLAL1)	For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25 &#956;L. The final assay mixture contained 50 mM Tris at a pH of 7.5, 0.01% Pluronic F-127, 5% DMSO, and 10 nM of purified LYPLAL1. To 23 &#956;L of LYPLAL1 (10.87 nM) diluted in 54 mM Tris at a pH of 7.5 containing 0.0109% Pluronic F-127 was added 1 &#956;L of compound at 25× the desired final concentration dissolved in 100% DMSO orDMSO (control), and the mixture was incubated at RT for 30 min. To this mixture was added 1 &#956;L of freshly prepared 50 &#956;M FP-rhodamine diluted in 25% DMSO (2 &#956;M FP-Rh, final). The reactions were incubated for 30 min at RT and quenched with 7.5 &#956;L of 4× SDSPAGE loading buffer containing 300 mM DTT, boiled for 2 min at 80°C before 15 &#956;L of sample was loaded per lane, separated by 10% Bis-Tris SDS-PAGE, and visualized in-gel using a flatbed fluorescence scanner (Typhoon Trio).
7443	2	Gel-based ABPP (CES1)	For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25 &mu;L. The final assay mixture contained 50 mM Tris at a pH of 7.5, 5% DMSO, and 1.75 &mu;g of CES1 lysate transiently expressed in COS7. To 23 &mu;L of CES&mu;1 (1.75 &mu;g of lysate) diluted in 54 mM Tris at a pH of 7.5 was added 1 &mu;L of compound at 25x the desired final concentration dissolved in 100% DMSO or DMSO (control), and the mixture was incubated at RT for 30 min. To this mixture was added 1 &mu;L of freshly prepared 50 &mu;M FP-rhodamine diluted in 25% DMSO (2 &mu;M FP-Rh, final). The reactions were incubated for 30 min at RT and quenched with 7.5 &mu;L of 4x SDS-PAGE loading buffer containing 300 mM DTT and boiled for 2 min at 80 &deg;C before 15 &mu;Lof sample was loaded per lane, separated by 10% Bis-Tris SDS-PAGE, and visualized in-gel using a flatbed fluorescence scanner (Typhoon Trio).
7444	1	Fluorescence Polarization Assay	Three fluorescein-labeled peptide probes, FITC-sulfopeptide, FITC-phosphopeptide, and FITC-tyrosinepeptide (FITC, fluorescein isothiocyanate), were used. Individual peptide probes were dissolved in assay buffer containing potassium phosphate (20 mM, pH 7.35), NaCl (100 mM), DTT (2 mM), and bovine gamma globulin (0.1%). Aliquots of the peptide probe solution were distributed to 96-well fluorescence plate to reach a final concentration of 10 nM. After the addition of indicated amounts of SH2 domain protein, the assay solutions were mixed and incubated at RT in the dark for 25 min. Fluorescence polarization experimentswere performed on a Synergy H1 plate reader (BioTek Instruments, Inc.) equipped with standard filter cube (&#955;Ex = 485 nm, BP = 20 nm; &#955;Em = 528 nm, BP = 20 nm). A standard sample layout in a 96-well plate was designed so that a single plate contains all the samples for one SH2 domain variant. Triplicate samples at each protein concentration were arrayed in the plat
7445	1	In Vitro Competitive Radioligand Binding Assay	To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 uM methoxy-X34 in the presence of a serial dilution of test compounds (10-9-10-6 M, 6 concentrations/compound). Tissue sections (3 sections per reaction) will be then mounted and coverslipped. Photographs of methoxy-X34 binding images will be taken using a Nikon fluorescent microscope. The fluorescent intensity on cerebral amyloid deposits and neuritic plaques will be separately quantified using Image J software.
7446	1	Diaphorase/Resazurin Coupled Assay	For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 &#956;L of assay buffer. Final compound concentrations were typically varied from 5 to 100,000 nM; the isocitrate concentration was fixed at 10 &#956;M, the NADP+ concentration was fixed at 5 &#956;M, and WT IDH1 and IDH2 were fixed at 0.1 nM. Reactions were conducted in duplicate and run kinetically. After each addition, plates were centrifuged for 60 s to ensure complete mixing of reagents.
7446	2	RapidFire-MS/MS and NADPH Assays	RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates in a total volume of 20 &#956;L of assay buffer. Final compound concentrations were typically varied from 0.5 to 100,000 nM, though in the case of tight-binding inhibition a range of 0.4 nM to 2 &#956;M was used with a 1.5-fold dilution scheme. The &#945;KG concentration was fixed at 500 &#956;M, the NADPH concentration was fixed at 50 &#956;M, and mutant IDH1 and IDH2 were fixed at 15 nM. Reactions were conducted in duplicate and quenched with final concentrations of 100 mM EDTA. After each addition plates were centrifuged for 60 s to ensure complete mixing of reagents. Endpoint data was obtained after 2 h for R132C IDH1, R132G IDH1, R140Q IDH2 and R172S IDH2 and after 4 h for R132H IDH1. For the RapidFire-MS/MS analysis, a 0.5 &#956;L aliquot of each well was diluted 200-fold into a separate analysis plate containing 100 &#956;L of a f
7447	1	Gel-based ABPP Assay	Tissue and cell proteomes (50 &#956;L) were treated with either FP-rhodamine (1 &#956;M) or WHP01 (2 &#956;M) for 30 min at 37 °C. The reactions were then quenched by addition of 4× SDS-PAGE loading buffer (20 &#956;L). Competitive gel-based ABPP experiments were performed as previously described7. Samples were visualized in-gel using a ChemiDoc MP imaging system (Bio-Rad). The fluorescence from rhodamine is presented in gray scale. 2-5 s exposure times and 20-60 s exposure times were used for AIG1/ADTRP-transfected and native proteomes, respectively.
7448	1	PHGDH Inhibition Assay	PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM PHGDH and 0.2 mg/mL diaphorase. PHGDH substrate buffer contained 0.3 mM NAD+, 1.25 mM glutamate, 0.1 mM 3-phosphoglycerate, 0.2 mM resazurin, 1 &#956;M PSAT1, and 1 &#956;M PSPH. qHTS was performed in 1,536-well plates dispensed with a BioRAPTR FRD. Each well contained equal volumes of substrate buffer and assay buffer. Plates were read at 0 min and 20 min at room temperature with a ViewLux uHTS Microplate Imager (PerkinElmer). Follow-up assays were performed in black 384-well plates (Greiner) in 20 &#956;L of enzyme buffer to which compounds were added in dose-response with an HP D300 digital dispenser (Hewlett-Packard), followed by addition of 20 &#956;L of substrate buffer. Plates were incubated at room temperature (25 °C) and read at 0 and 20 min with a Spectramax M5 plate reader (Molecular Devices) in fluorescence intensity mode with 
7450	1	Demethylase AlphaScreen Assay	The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was performed using an ECHO 550 acoustic dispenser (Labcyte). After establishment of suitable purification conditions (see above), enzyme samples showed normal distribution of their activities. All subsequent steps were carried out in assay buffer (50 mM HEPES, pH 7.5, 0.1% (wt/vol) BSA and 0.01% (vol/vol) Tween-20). In brief, 5 &#956;l of assay buffer containing demethylase enzyme at 2× final assay concentration (see Supplementary Table 3c for assay specifics) was preincubated for 15 min with dilutions of compound. The enzyme reaction was initiated by the addition of substrate (5 &#956;l) consisting of L-ascorbic acid (200 &#956;M), 2-OG at 2× final assay concentration (KDM5A-D (10 &#956;M), KDM4C (20 &#956;M), KDM3A (10 &#956;M), KDM6B (20 &#956;M), KDM2A (20 &#956;M)), FAS (2× final assay concentration) and histone H3 substrate peptide (2
7451	1	Inhibition Assay	Receptor-expressing HEK 293 cell membrane fraction was analyzed by modifying the methods of C. J. Langmead et al. (see Langmead C J, Szekeres P G; Chambers J K, Ratcliffe S J, Jones D N C, Hirst W D, et al. Characterization of the binding of [125I]-human prolactin releasing peptide (PrRP) to GPR10, a novel G protein coupled receptor. Br J Pharmacol 2000; 131: 683-688.). To each well of a 96-well plate, 150 &#956;l of assay buffer (20 mM HEPES, 10 mM EDTA, 1 &#956;l/ml protease inhibiting agent cocktail, pH 7.4), 20 &#956;l of cell membrane fraction, 10 &#956;l of test compound and [3H]-PrRP (final concentration 1 nM) were added and incubated at room temperature for 90 minutes. After completion of the reaction, using a cell harvester, the cell-membrane fraction sample product was filtered under aspiration by a glass fiber filter plate (Unifilter; GF/B) previously treated with 0.5% polyethylene imine. The filter was washed with a 50 mM Tris hydrochloric acid buffer (pH 7.4) three times.
7451	2	Intracellular Calcium Mobilization Assay	HEK293 cells expressing human GPR10 were maintained in Dulbecco&#39;s Modified Eagles&#39; medium supplemented with 10% fetal bovine serum, 1% penicillin-streptomycin and 20 mM HEPES at 37° C. in a 5% CO2 incubator. GPR10-expressing HEK293 cells were placed in poly-D-lysine coated 96-well culture plates and cultured for 18-24 hr before the test at a density of 3×104 cells/well. The cells were incubated with 2.5 nM Fluo-8 for 1 hr at room temperature in Recording Buffer containing 1% bovine serum albumin, 0.01% pluronic F-127 and 20 mM HEPES, Hanks Balanced Buffered Saline, pH 7.4. The cells were incubated with test compounds for 15 min at room temperature, and then PrRP (the final concentration, 1 nM) was added into the medium. The changes in intracellular calcium-dependent fluorescence were monitored using a fluorescence imaging plate reader (FDSS3000, Hamamatsu Photonics K.K.). Fluo-8 fluorescence was measured with excitation at 490 nm and emission at 520 nm. 
7452	1	Biochemical Inhibition Assay	1H-pyrrolo[2,3-b]pyridine series of compounds and analogues in Table 3B were synthesized and tested in 10-dose IC50 mode with 3 fold serial dilutions starting at 100 &#956;M. The reactions were carried out at 10 &#956;M ATP for JAK3 and ITK. The compounds 5, 7, 8, 16, 19-33, 48-51, 57-60, 66, 75, 77-92 and 133-153 exhibited biochemical IC50=between 0.1 to 1 &#956;M against JAK3 and ITK respectively. 
7452	2	Biochemical Inhibition Assay	1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Janus and TEC family of kinases except for the BMX and TXK it had activity of 30 and 45 nM respectively. 
7453	1	Thallium Flux Assay	The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-Lysine microplates and kept in a 37° C.-10% CO2 incubator overnight. On the day of the experiment, the growth media is replaced with the FluxOR&#153; reagent loading buffer and incubated, protected from light, at ambient temperature (23-25° C.) for 90 min. The loading buffer is replaced with assay buffer±test compound followed by 30 min incubation at ambient temperature, where the Thallium/Potassium stimulant is added to the microplate. The fluorescence intensity of wells containing 3 &#956;M of a standard control ROMK inhibitor of the present invention is used to define the ROMK-sensitive component of thallium flux. Fluorescence in the presence of test compounds is normalized to control values to provide % fluorescence change. IC50 values represent the concentration of compound that inhibits 50% of the ROMK thallium flux signal.
7453	2	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37° C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066) for approximately 6 min at 37° C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4. Ele
7454	1	PI3K Inhibition Assay	PI3K inhibition assay (PI3K Assay (Emmanuelle M, Huang Y, Yan H G et al. Targeting Protein Translation in Human Non-Small Cell Lung Cancer via Combined MEK and Mammalian Target of Rapamycin Suppression. Cancer Res 67:(23). (2007).) was carried out by PI3 Kinase activity/inhibitor assay kit, where PI3 kinase reaction was set up in Glutathione-coated strips/plate for inhibitor reaction. Kinase and inhibitors were pre-incubated for 10 minutes prior to the addition of PIP2 substrate. 5 uL of 5x kinase reaction buffer were added in each well followed by the further addition of 5 uL/well of PIP2 substrate. Then distilled H2O was added to each well so as to make up a final volume of 25 uL/well. Incubation was done at rt for 1 hour which was followed by washing the wells 3 times with 200 uL of 1xTBST per well and then 2 times with 200 uL of IX TBS per well. Then 100 uL of the Substrate TMB per well was added and then to keep for colour development in the dark.
7455	1	Protease Assay	The inhibitory activity of certain compounds of Table A against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
7456	1	Inhibition Assay	A rapid plate DNA synthesis assay was performed using optimized conditions. Briefly, a 1.2:1 ratio of a 20-mer oligonucleotide primer (5&#8242;-GCGAATGAATGACCGCTGAC-3&#8242;, SEQ ID No. 1) and a 5&#8242;-end biotinylated 100-mer oligonucleotide template (5&#8242;-Biotin-AGCACTATTGACATTACAGAGTCGCCTTGGCTCTCTGGCTGTTCGTTGCGGGCTCCGCG TGCGTTGGCTTCGGTCGTCCCGTCAGCGGTCATTCATTGGC-3&#8242;) were annealed and loaded into a 96-well microtiter streptavidin-coated plate (Streptawell plates, Roche Applied Science, Indianapolis, Ind., USA) at 5 pmol/well. The wells were incubated at 37 C for 90 min, and washed with 100 L PBS. The reaction was conducted in low salt buffer (20 mM Tris-HCl pH 7.4, 3 mM MgCl2, 0.1 mM EDTA, 0.5 mM DTT, 2% glycerol, 40 ug/mL BSA, 5 uM dNTPs, 1 uM digoxigenin-11-2&#8242;-deoxyuridine-5&#8242;-triphosphate (DIG-dUTP, Roche Applied Science) with 1 &#956;L vaccinia infected cell lysate or 1 uL of in vitro translated E9 DNA polymerase. The reaction plates were incubated at 37° C
7457	1	Inhibition Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 in M MgCl2, 5.0 mM CaCl2, 5.6 D-glucose, 2.5 mM probenecid, 1.0% BSA, and 0.08% Pluronic F-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence inte
7458	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
7458	2	Electrophysiology Assay	For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and the osmolarity adjusted to 320) or Tyrodes salt solution (Sigma, USA) supplemented with 10 mM HEPES (pH adjusted to 7.4 with NaOH; osmolarity=320). The internal pipette solution contained (in mM): NaCl (10), CsF (140), CaCl2 (1), MgCl2 (5), EGTA (11), HEPES (10: pH 7.4, 305 mOsm). Compounds were prepared first as series of stock solutions in DMSO and then dissolved in external solution; DMSO content in final dilutions did not exceed 0.3%. At this concentration, DMSO did not affect sodium currents. Vehicle solution used to establish base line was also contacting 0.3% DMSO.
7459	1	ACC1 Enzyme Assay A1	For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of ACC1 in assay buffer [50 mM HEPES/NaOH pH 7.5, 12 mM sodium bicarbonate, 2 mM MgCl2, 2 mM potassium citrate, 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow pre-binding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 3 ul of a solution of adenosine triphosphate (ATP, 83.5 uM=>the final concentration in 5 ul assay volume is 50 uM, Amersham Pharmacia Biotech #27-2056-01) and acetyl-CoA (33.4 uM=>the final concentration in 5 ul assay volume is 20 uM, Roche Bioscience #10101893001) in assay buffer, and the resulting mixture was incubated at 22&deg; C. for a reaction time of 20 min. The concentration of the ACC1 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the range of 2.5 ng/ul. The reaction was stopped by successive addition of 2.5 ul of a solution of d2-labelled ADP (HTRF Transscreener ADP kit, C is biointernational, Marcoule, France) in EDTA-containing HTRF Transscreener ADP detection buffer (contained in the HTRF Transscreener ADP kit, 50 mM HEPES pH 7.0, 60 mM EDTA, 0.1% (w/v) BSA, 0.02% sodium azide, 400 mM potassium fluoride) and 2.5 ul of a solution of europium cryptate-labelled anti-ADP antibody (HTRF Transscreener ADP kit) in HTRF Transscreener ADP detection buffer. The resulting mixture was incubated at 22&deg; C. for 1 h to allow binding of the europium cryptate-labelled anti-ADP antibody to the ADP formed by the enzyme reaction and the d2-labelled ADP.
7459	3	ACC2 Enzyme Assay A2	For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of ACC2 in assay buffer [50 mM HEPES/NaOH pH 7.5, 12 mM sodium bicarbonate, 2 mM MgCl2, 2 mM potassium citrate, 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow pre-binding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 3 ul of a solution of adenosine triphosphate (ATP, 83.5 uM=>the final concentration in 5 ul assay volume is 50 uM, Amersham Pharmacia Biotech #27-2056-01) and acetyl-CoA (33.4 uM=>the final concentration in 5 ul assay volume is 20 uM, Roche Bioscience #10101893001) in assay buffer, and the resulting mixture was incubated at 22&deg; C. for a reaction time of 20 min. The concentration of the ACC2 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the range of 0.6 ng/ul. The reaction was stopped by successive addition of 2.5 ul of a solution of d2-labelled ADP (HTRF Transscreener ADP kit, C s biointernational, Marcoule, France) in EDTA-containing HTRF Transscreener ADP detection buffer (contained in the HTRF Transscreener ADP kit, 50 mM HEPES pH 7.0, 60 mM EDTA, 0.1% (w/v) BSA, 0.02% sodium azide, 400 mM potassium fluoride) and 2.5 ul of a solution of europium cryptate-labelled anti-ADP antibody (HTRF Transscreener ADP kit) in HTRF Transscreener ADP detection buffer. The resulting mixture was incubated at 22&deg; C. for 1 h to allow binding of the europium cryptate-labelled anti-ADP antibody to the ADP formed by the enzyme reaction and the d2-labelled ADP.
7459	4	ACC1 Enzyme Assay B1	For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2.5 ul of a solution of hACC1 in assay buffer [50 mM HEPES/NaOH pH 7.5, 2 mM MgCl2, 2 mM potassium citrate, 12 mM NaHCO3, 2 mM dithiothreitol (DTT), 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 2.5 ul of a solution of adenosine triphosphate (ATP, 100 uM=>final concentration in 5 ul of assay volume: 50 uM) and acetyl-CoA (20 uM=>final concentration in 5 ul assay volume: 10 uM) in assay buffer, and the resulting mixture was incubated at 22&deg; C. for the reaction time of 45 min. The concentration of the hACC1 was adapted to the respective activity of the enzyme and adjusted such that the assay operated in the linear range. Typical concentrations were in the range of 1.75 ng/ul. The reaction was stopped by addition of 2.5 ul of the "ADP-GLO reagent" (1:1.5-times diluted), and the resulting mixture was incubated at 22&deg; C. for 1 h to convert the unreacted ATP completely into cAMP. 2.5 ul of the "kinase detection reagent" were then added (1.2-times more concentrated than rec mmended by the manufacturer), the resulting mixture was incubated at 22&deg; C for 1 h.
7459	2	ACC2 Enzyme Assay B2	For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2.5 ul of a solution of hACC2 in assay buffer [50 mM HEPES/NaOH pH 7.5, 2 mM MgCl2, 2 mM potassium citrate, 12 mM NaHCO3, 2 mM dithiothreitol (DTT), 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 2.5 ul of a solution of adenosine triphosphate (ATP, 100 uM=>final concentration in 5 ul of assay volume: 50 uM) and acetyl-CoA (20 uM=>final concentration in 5 ul assay volume: 10 uM) in assay buffer, and the resulting mixture was incubated at 22&deg; C. for the reaction time of 45 min. The concentration of the hACC2 was adapted to the respective activity of the enzyme and adjusted such that the assay operated in the linear range. Typical concentrations were in the range of 2 ng/ul. The reaction was stopped by addition of 2.5 ul of the ADP-GLO reagent (1:1.5-times diluted), and the resulting mixture was incubated at 22&deg; C. for 1 h to convert the unreacted ATP completely into cAMP. 2.5 ul of the kinase detection reagent were then added (1.2-times more concentrated than recommended by the manufacturer), the resulting mixture was incubated at 22&deg; C for 1 h.
7460	1	Radioligand Binding Assay	Binding assays were performed as described in [J. A. O&#39;Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that a radioligand that binds to the methyl-5-(2-pyridinylethynyl)pyridine (MPEP) binding site was used in place of [3H] MPEP. Briefly, after thawing, the membrane homogenates were resuspended in 50 mM Tris-HCl and 0.9% NaCl binding buffer at pH 7.4 to a final assay concentration of 20 &#956;g protein/well for radioligand filtration binding. Incubations included 5 nM radioligand, membranes and either buffer or varying concentrations of compound. Samples were incubated for 60 min at room temperature with shaking. Non-specific binding was defined with 10 &#956;M cold MPEP when using the radioligand. After incubation, samples were filtered over a GF/C filter (presoaked in 0.25% polyethyleneimine (PEI)) and then washed 4 times using a Tomtec Harvester 96 Mach III cell harvester (Tomtec, Hamden, Conn.) with 0.5 mL ice-cold 50 mM Tris-HCl (pH 7.4).
7460	2	Calcium Mobilization Assay	The rmGluR5 or hmGluR5 was stably expressed in a HEK 293 cell line and gown in Dulbecco&#39;s Modified Eagle Medium (DMEM) (Invitrogen, Carlsbad, Calif.) with supplements (10% bovine calf serum, 4 mM glutamine, 100 units/mL penicillin, 100 &#956;g/mL streptomycin and 0.75 mM G1418) at 37° C., 5% CO2. Twenty-four hours prior to assay, cells were seeded into 384-well black wall microtiter plates coated with poly-D-lysine. Just prior to assay, media was aspirated and cells dye-loaded (25 &#956;L/well) with 3 &#956;M Fluo-4/0.01% pluronic acid in assay buffer (Hank&#39;s Balanced Saline Solution (HBSS)): 150 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, plus 20 mM N-2-Hydroxyethylpiperazine-N&#8242;-2-ethanesulfonic acid (HEPES), pH 7.4, 0.1% bovine serum albumin (BSA) and 2.5 mM probenecid) for 1 hour in 5% CO2 at 37° C. After excess dye was discarded, cells were washed in assay buffer and layered with a final volume equal to 30 &#956;L/well. Basal fluorescence is monitored in a fluorometri
48	2	CYP Enzyme Inhibition Assay	Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective substrates (phenacetin for CYP1A2, amodiaquine for CYP2C8, diclofenac for CYP2C9, S-mephenytoin for CYP2C19, Dextromethorphan for CYP2D6, and midalozam for CYP3A4/5), and multiple concentrations of Compound (I-1) or Ko143 (0, 0.041, 0.12, 0.37, 1.11, 3.33, 10, and 30 uM) in 96-well plates. Reactions are initiated by the addition of &beta;-NADPH (2 mM) and MgCl2 (3 mM) in 0.1-M potassium phosphate buffer, pH 7.4. Reactions are incubated for 12 minutes at 37&deg; C., and then terminated by the addition of an equal volume of ACN containing 1-uM carbutamide (IS). The plates are refrigerated at approximately 4&deg; C. for 15 minutes and then centrifuged in order to pellet the precipitated proteins.
61	1	Mushroom Tyrosinase Assay	All test compounds were initially dissolved in 100% DMSO at a concentration of 400 mM. The compounds were further diluted in 100% DMSO to a concentration of 80 &#956;M. 80 &#956;M stock solutions of the compounds were then diluted ten times in the tyrosinase assay buffer to the concentration of 8 &#956;M. The compounds were then serially diluted at three-fold increments in the assay buffer containing 10% DMSO, keeping the concentration of DMSO constant across all samples. These serially diluted compounds were subsequently used as two-fold concentrated stock solutions in the tyrosinase activity assays. Tyrosinase assays were performed in clear-bottom 96-well plates at room temperature. The final volume of the assays was 200 &#956;l per well. 100 &#956;l of two-fold concentrated test compounds were mixed with 50 &#956;l of 4 mM L-DOPA. The reactions were initiated by adding 50 &#956;l of mushroom tyrosinase (0.2 U/&#956;l, 10 U per reaction), and allowed to proceed for 15 minutes. Accumulation of colored product was monitored by light absorption at 450 nm using Victor 2 plate reader (Perkin-Elmer Inc.).
62	1	Biological Assay	CB1 and CB2 receptors are Gi-coupled GPCR. Activation of CB1 and CB2 receptors results in a decrease in cAMP production. An inverse agonist of the CB1 or CB2 receptor results in the opposite effect, an increase of cAMP production. The principle of this assay is based on HTRF technology (Homogeneous Time-Resolved Fluorescence). The method is a competitive immunoassay between native cAMP produced by cells and the cAMP labeled with the fluorophore d2. The tracer binding is quantified by a Mab anti-cAMP labeled with Eu3+TBP-NHS Cryptate (supplied as part of the assay kit). The specific signal (i.e. energy transfer) is inversely proportional to the concentration of cAMP in the standard or sample.
71	2	Biochemical Assay	Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Required cofactors are added individually to each kinase reaction. The reaction procedure first involved the preparation of a peptide substrate in a freshly prepared reaction buffer. Required cofactors were then added to the substrate solution. ROCK (1 nM final concentration) was then delivered to the substrate solution. After gentle mix, DMSO solutions of the test compounds were added to the enzyme. Substrate mix 33P-ATP (specific activity 0.01 Ci/ l final) was then delivered into the reaction mixture to initiate the reaction. The kinase reaction was incubated for 120 min. at room temperature. Reactions were then spotted onto P81 ion exchange paper (Whatman #3698-915). Filters were washed extensively in 0.1% Phosphoric acid. A radiometric count was then performed and IC50 values were subsequently determined.
74	2	mSortilin Affinity Assay	The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Varying concentration of compounds where pre-incubated for 30 min at RT with 50 nM of 6his-Sortilin. 5 nM [3H]-Neurotensin was added as radioligand and nonspecific binding defined as the binding in the presence 20 M of Neurotensin. Ni chelate imaging beads (Perkin elmer) was added and the plate was slowly shacked in the dark for 60 min. The imaging beads were allowed minimum 6 hours settling time before the plate was read on a ViewLux with 360 sec exposure time. Dose-response evaluation of compounds was performed with 10 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK). The results were given as Ki values (nM) derived from computer fitted IC50 values converted to Ki values using the Cheng-Prusoff equation (Ki=IC50/(1+(L/Kd))). Kd for Neurotensin was determined to 100 nM.
89	1	Extracellular Cytochrome P450 Inhibition Assay	Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004 (Walsky, R. L., and Obach, R. S. Validated assays for human Cytochrome P450 activities. Drug Met. Disp. 32:647-660, 2004.). In general, microsomes at protein concentrations as defined in Table 12 were mixed with buffer (100 mM KH2PO4, pH 7.4), MgCl2 (6 mM)) and substrate, and were kept on ice. Aliquots of this mixture (89 &#956;L) were delivered to each well of a 96-well polypropylene plate which contained an aliquot of inhibitor (1 &#956;L) in acetonitrile:water (1:1). Final solvent concentrations were less than 1% (v/v). Incubations were initiated with the addition of 10 &#956;L &#946;-NADPH (10 mM stock) to a final volume of 100 &#956;L. Incubations were terminated by the addition of 1.5-2× volume of acetonitrile containing internal standard (buspirone). Samples were centrifuged at 4° C., and supernatant was transferred for LC-MS/MS analysis.
135	1	Human Neutrophil Elastase Assay	Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bachem (Cat. No.: 1-1270). All other materials were of the highest grade commercially available. The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 &#956;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths. Each plate contains wells with a high value control (DMSO+enzyme+substrate) and wells with a low value control (DMSO+inactivated enzyme+substrate). IC50 values were estimated using a sigmoidal concentration response curve with variable slope. Means of low values were taken as 0%, means of high values as 100%. 
153	1	EGFR kinase  assay	In vitro enzyme activity assay: wild-type and various mutants (T790M, L858R, L861Q, L858 R/T790M) EGFR, Z&#8242;-Lyte Kinase Assay Kit were purchased from Invitrogen. 10 concentration gradients, from 5.1×10&#8722;11 mol/L to 1.0×10&#8722;6 mol/L, were set for all of the compounds to be tested. Concentrations of different kinases were determined based on the optimization of experiment, and the corresponding concentrations were: EGFR (PV3872, Invitrogen) 0.287 &#956;g/&#956;L, EGFR-T790M (PV4803, Invitrogen) 0.174 &#956;g/&#956;L, EGFR-L858R (PV4128, Invitrogen) 0.054 &#956;g/&#956;L, EGFR-L858R/T790M (PV4879, Invitrogen) 0.055 &#956;g/&#956;L. Compounds were diluted for 3 times in DMSO from 5.1×10&#8722;9 M to 1×10&#8722;4 M. 4 &#956;L of compound was dissolved in 96 &#956;L of water, to give a 4× compound solution. 40 &#956;M ATP was dissolved in 1.33× kinase buffer, and a kinase/peptide mixture comprising 2× kinase, 4 &#956;M tyrosine and four peptides was prepared for use. 10 &#956;L of kinase reaction system comprised 2.5 &#956;L of compound solution, 5 &#956;L of Kinase/peptide mixture, and 2.5 &#956;L of ATP solution. 5 &#956;L of phosphopeptide solution was used in place of kinase/peptide mixture as 100% phosphorylation control. 2.5 &#956;L of 1.33× kinase buffer was used to replace ATP solution as 100% inhibition control, and 2.5 &#956;L of 4% DMSO solution was used to replace compound solution as 0% inhibition control. After thoroughly mixing the solution within the plate, the plate was incubated at room temperature for 1.5 hours. 5 &#956;L of DevelopmentSolution was added into each well, and then the plate was incubated at room temperature for another 1 hour, and non-phosphorylated peptide was cleaved within this period. Finally, the reaction was quenched by adding 5 &#956;L of Stop Reagent. The Plate was measured with EnVision Multilabel Reader (Perkin Elmer). Experimental data were calculated by using GraphPad Prism version 4.0. 
7463	1	Inhibition Assay	To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 &#956;M L-arginine. Also included were 100 &#956;M NADPH, 0.83 mM CaCl2, approximately 320 units/mL of calmodulin, 10 &#956;M tetrahydrobiopterin, and human oxyhemoglobin (3 &#956;M). For iNOS, CaCl2 and calmodulin were omitted and replaced with HEPES buffer (as neither are required for activation of iNOS). This assay was performed in 96-well plates using a Synergy 4 BioTek hybrid reader, and the dispensing of NOS enzyme and hemoglobin were automated; after 30 sec (maximum delay), NO production was read by monitoring the absorbance at 401 nm (resulting from the conversion of oxyhemoglobin to methemoglobin). 
7464	1	VEGF-R2 Binding Assay	A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine triphosphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. The ability of the test compound to compete with the immobilized ligand was measured using quantitative polymerase chain reaction (qPCR) of the DNA tag (Fabian, et al, Nature Biotechnology (2005) 23, 329-336; Karaman, et al, Nature Biotechnology (2008) 26, 127-132).A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32 ° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule.
7465	1	Inhibition Assay	The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine dinucleotide (FAD) and D-alanine. The amount of H2O2 was determined by measuring the fluorescence generated on conversion of Amplex red (manufactured by Invitrogen Co.) into resorufin by the reaction of H2O2 with horseradish peroxidase (HRP). 4 uL of 4% dimethyl sulfoxide (DMSO) buffer (50 mM sodium phosphate (pH 7.5), 0.02% CHAPS) solution of the test compound was added to 384-well black, low volume plate, a mixed solution (4 uL) of recombinant human DAAO protein (15 nM), which had been expressed in Escherichia coli and purified, and 18 uM FAD was added, and the mixture was incubated at room temperature for 15 min. After incubation, a mixed buffer (4 uL) of 2.25 mM D-alanine, 1.5 U/mL HRP and 150 uM Amplex red was added, the mixture was incubated at room temperature for 30 min.
7465	2	Inhibition Assay	This test was performed by partially modifying the method of Philip et. al. (J. Biomol. Screen. Vol. 11, pp 481-487, 2006). HEK293 cells that stably express human DAAO were suspended in Cellbanker solution at 5×106 cells/ml and cryopreserved at &#8722;80° C. At the time of measurement, the cells were centrifuged at 1000 rpm for one min and the Cellbanker solution was removed. The cells were resuspended at 5×106 cells/ml in FAD-containing buffer (50 mM sodium phosphate [pH 7.5], 18 &#956;M FAD, 0.02% CHAPS). A 4% DMSO buffer solution (50 mM sodium phosphate [pH 7.5], 0.02% CHAPS) of the test compound (4 &#956;L) was added to a 384-well black, low volume plate, the cell suspension (4 &#956;L) was added, and the mixture was incubated at room temperature for 15 min. After incubation, a mixed buffer (4 &#956;L) of 150 mM D-alanine, 1.5 U/mL HRP and 240 &#956;M Amplex red was added to the plate, and the mixture was incubated at room temperature for 30 min, and the fluorescence (excitation w
7466	1	Calcium Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco's Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 mg/ml hygromycin and 15 ug/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 uM Fluo-4AM in loading buffer (1xHBSS, 20 mM HEPES) for 1 hr at 37&deg; C. and washed five times with loading buffer.
7467	1	Lanthascreen Binding Assay	This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together.Binding of the Alexa Fluor tracer to a kinase is detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. Assay conditions and materials used were as follows: Final Assay Conditions: GST-LRRK2 G2019S 10 nM Eu-anti-GST-antibody 2 nM Kinase tracer 236 8.5 nM Kinase reaction time: 1 hour Temperature: ambient Total volume: 15 ul DMSO 1% Materials: 384 well proxiplates F black shallow cat# 6008260 well Perkin Elmer Kinase: LRRK2 G2019S, Invitrogen cat # PV4882(LOT 567054A).
7468	1	Inhibition Assay	Compounds of the invention were initially diluted to 10 mM in 100% DMSO (CALBIOCHEM) for storage and made into kinase buffer solution to create a compound concentration ranging from 1 uM and 10 uM. Serial dilutions of compounds of the invention were dispensed into a 96-well plate (GREINER BIOSCIENCES) at 6 uL each. Purified full-length human SYK (CARNA BIOSCIENCES) were diluted in kinase buffer and added to the compound solutions and pre-incubated for 30 minutes at room temperature. Next, ATP (TEKNOVA) of Km (15 uM) and substrate solution (suggested manufacture substrates of PerkinElmer, Ulight-TK peptide for SYK) was added (12 uL each) to the wells containing the compound solution and enzyme. The reaction mixture was incubated for 1 hour. Following the incubation, the stop solution made with EDTA, water, and Lance detection buffer (PERKINELMER) was added (12 uL each) to stop phosphorylation. Following the addition of the stop solution and 5 minutes of shaking.
7469	1	Kinase Assay	For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot.
7470	1	Lanthascreen Binding Assay	This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together.Binding of the Alexa Fluor tracer to a kinase is detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. Assay conditions and materials used were as follows: Final Assay Conditions:        GST-LRRK2 G2019S 10 nM Eu-anti-GST-antibody 2 nM        Kinase tracer 236 8.5 nM        Kinase reaction time: 1 hour        Temperature: ambient        Total volume: 15 ul        DMSO 1% Materials: 384 well proxiplates F black shallow well Perkin Elmer cat #6008260Kinase: LRRK2 G2019S, Invitrogen cat # PV4882 (LOT 567054A).
7471	1	Inhibition Assay	CHO-K1 cell lines stably expressing human Kv1.5 channels were prepared in the following manner.Full-length human Kv1.5 cDNA was cloned from a human heart cDNA library (produced by Stratagene). The obtained human Kv1.5 sequence corresponds to the sequence described in FASEB J. 5, 331-337 (1991).The obtained human Kv1.5 cDNA was inserted into a plasmid encoding a CMV promoter and a G418 resistance marker to produce a Kv1.5 expression vector. The human Kv1.5 expression vector was transfected into CHO-K1 cells by the lipofectamine method. After culturing the cells in an F-12 medium (produced by Invitrogen Corp.) containing 10% FBS (produced by Invitrogen Corp.) for 3 or 4 days, the medium was replaced with a FBS-containing F-12 medium that included 1,000 ug/ml of G418 (produced by Invitrogen Corp.), and single colonies were isolated. The amount of Kv1.5 channel expression in the single colonies was quantified at the mRNA level by RT-PCR and then quantified at the protein level.
7472	1	Enzyme Inhibition Assay	ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compound (2% DMSO) was incubated with 8 ul Lck-peptide substrate (0.5 uM, biotin-Ahx-GAEEEIYAAFFA-COOH) and 8 ul of a mixture of ALK (3 nM, Millipore) and ATP (50 uM) in reaction buffer (50 mM Hepes, pH 7.4; 10 mM MgCl2; 2 mM MnCl2; 0.1 mM sodium orthovanadate; 0.01% BSA and 1 mM DTT (added fresh before assay) for 1 h at room temperature. Reactions were then quenched by the addition of 30 ul quench solution (streptavidin-allophycocyanin and Europium-cryptate PT66 monoclonal antibody in 40 mM Hepes, pH 7.4; 480 mM KF; 66 mM EDTA; 0.01% Tween-20; and 0.1% BSA) at room temperature. Plates were read 1 h after quenching on an Envision Multilaber Reader and IC50 values were calculated using a sigmoidal fit of the concentration/inhibition response curves. These values were converted to apparent Ki values.
7473	1	Pharmacological Assay	Metabotropic glutamate receptors were transiently transfected in HEK293 cells by electroporation as described elsewhere (Brabet I. et al., 1998) and plated in 96-well microplates. The high affinity glutamate transporter EAAC1 was co-transfected with the receptor in order to avoid any influence of glutamate released by the cells in the assay medium. In the experiments carried out by the inventors, Group-III mGluRs were co-transfected with a chimeric G-protein which couples the activation of the receptor to the phospholipase-C (PLC) pathway. Thus receptor activation induces production of inositol phosphate (IP) which in turn induces intracellular Ca2+ release. Receptor activity was then determined by measurement of the IP production or Ca release as already described (Goudet C. et al., PNAS 2004). For intracellular calcium measurements, cells expressing mGluRs were loaded with Ca2+-sensitive fluorescent dye Fluo-4 AM (Invitrogen, Cergy-Pontoise, France) dissolved in Hanks' balanced Salt Solution.
7462	1	Radioligand Binding Assay	The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000MC). CHO-K1-hCRTH2 cell membranes are again homogenized by passing through a single use needle (Terumo, 23G) and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well). The SPA assay is set up in 96 well microtiter plates (Perkin Elmer, CatNo. 6005040) in SPA incubation buffer with a final volume of 200 ul per well and final concentration of 50 mM Tris-HCl, 10 mM MgCl2, 150 mM NaCl, 1 mM EDTA pH 7.4, 0.1% bovine serum albumin). The SPA assay mixture contains 60 ul of the membrane suspension, 80 ul of Wheat Germ Agglutinin coated PVT beads (GE Healthcare, RPNQ-0001, 0.3 mg/well), 40 ul of [3H]-PGD2 diluted in SPA buffer to a final concentration of 1 nM (50 000 dpm) and 20 ul of the test compound (dissolved in dimethylsulfoxid).
7474	1	Enzyme Assay	Human aminopeptidase P2 (APP2) enzyme activity was determined using the internally quenched fluorescent substrate: H-Lys(2-aminobenzoyl)-Pro-Pro-p-nitroanilide (Bachem, Torrance, Calif.) at 1 &#956;M (=Km) for inhibitor studies and 5 &#956;M for enzyme purification assays. The assay buffer was 0.1 M HEPES, pH 7.4, and the assay temperature was 30° C. Cleavage of the substrate by the enzyme produces an increase in fluorescence due to the release of H-Lys(2-aminobenzoyl). Enzyme rates were determined in an F. fluorescence plate reader (Molecular Devices, Sunnyvale, Calif.) using an excitation wavelength of 320 nm and an emission wavelength of 405 nm. 
7474	2	Enzyme Assay	Human recombinant angiotensin-converting enzyme (hrACE) was obtained from R&D Systems (Minneapolis, Minn.). Its enzyme activity was determined using the internally quenched fluorescent substrate ES005: (7-methoxycoumarin-4-yl)acetyl-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-(2,4-dinitrophenyl)-Lys (R&D Systems, Minneapolis, Minn.). The assay buffer was 0.1 M HEPES, pH 7.4, and the temperature was 30° C. The substrate concentration was below Km (&#8806;40 &#956;M). Enzyme rates were determined in an Fmax fluorescence plate reader (Molecular Devices, Sunnyvale, Calif.) using an excitation wavelength of 320 nm and an emission wavelength of 405 nm. 
7475	1	LANCE Ultra cAMP Assay	The potency of compounds of the invention as H3 receptor antagonists can be assessed by measuring the blockade of (R)-alpha-methylhistamine-mediated cAMP production utilizing a LANCE Ultra cAMP kit (PE #TRF0263) in CHO cells expressing human H3 receptors (GenBank: BC096840; Strausberg R L et al, Proc. Natl. Acad. Sci. U.S.A. 99(26), 16899-16903; 2002).Protocol:1. Preparation of the stimulation buffer (30 ml): 29.4 ml HBSS (GIBCO #14025), 150 ul 1 M HEPES (GIBCO #15630), 30 ul 500 mM IBMX (CALBIOCHEM #410957) and 400 ul 7.5% BSA (GIBCO #10438-026).2. Preparation of assay plate: Different concentrations of the compounds of the invention (0.01-1000 nM), H3 positive controls and cAMP calibration standards; 3 mM Forskolin (CALBIOCHEM #344270); 5 uM (R)-alpha-methylhistamine (H3 receptor agonist); 1% DMSO (SIGMA #D2650); total volume: 95 nl.3. Preparation of the cell solution: Collect cells with stimulation buffer, final density: 100,000 cells/ml.
7475	2	Radioligand Binding Assay	The affinity of compounds of the invention to the H3 receptor can be assessed by measuring displacement of binding of the radioligand [3H]-N- ±-Methylhistamine (PerkinElmer, #NET1027250UC) to membranes containing human H3 receptors (PerkinElmer, #ES-392-M400UA; GenBank: NM-007232.2; Hill S J et al, International Union of Pharmacology XIII. Classification of histamine receptors, Pharmacol Rev, 49(3), 253-278, 1997).Protocol: 1. Preparation of binding assay buffer (500 ml): 25 ml 1 M Tris-HCl pH 7.5 (Invitrogen, #15567-027), 2.5 ml 1 M MgCl2 (Sigma, #M1028-100ML), 472.5 ml ddH2O. 2. Compound serial dilution: Dilution was performed by BioTek Precision on compound dilution plate. Compound concentrations start at 5 or 10 uM, 10 point dose titrations with 3- or 5-fold serial dilutions. 3. Preparation of 2x membrane solution (25 ml): 1.25 ml human Histamine H3 receptor stock, 23.75 ml assay buffer. 4. Preparation of 2x solution of [3H]-N- ±-methylhistamine (25 ml).
7476	1	LHDA/LDHB Enzymatic Assays	LDHA, LDHB, LDHC, MDH1 and MDH2 enzymatic assays have been described in detail previously [Dragovich, P.S. et al, Bioorg. Med. Chem. Lett. 24:3764-3771, 2014].
7477	1	Steady-State Kinetics	Reaction mixtures containing twelve different concentrations of FAM-labeled DF1 (Supplementary Fig. 5a) substrate were prepared in reaction buffer (RB; 55 mM HEPES pH 7.5, 110 mM KCl, 80 mM MgCl2, 0.1 mg/mL bovine serum albumin, 1 mM DTT) and incubated at 37 °C for 10 min. Reactions were initiated by the addition of hFEN1-336&#916; in RB. Reactions were sampled at seven time intervals between 2-20 min and quenched with excess EDTA (250 mM). The steady-state kinetic parameters of hFEN1-336&#916; with DF1 were determined as above at various concentrations of 1, 2 and 4 (0, 5, 10, 50, 100, 500, 1000 nM) diluted from DMSO stock solutions as required. For each inhibitor concentration, reactions were followed in triplicate (each replicate using an independent serial dilution of enzyme) at six different concentrations of DF1 (10, 50, 100, 500, 1000, 5000 nM). Each experiment was independently conducted twice in triplicate.
7478	1	FABP1 Fluorescent Ligand Displacement Assay	The following fluorescent ligand displacement assays at 24 °C were used to further confirm and/or determine if the cytosolic lipidic ligand "chaperone" proteins FABP1, SCP2, and ACBP also bound nonfluorescent NAEs, 2-MGs, phytocannabinoids, synthetic cannabinoids, or inhibitors: (i) NBD-stearic aciddisplacement, (ii) ANS displacement, (iii) DAUDA displacement, (iv) cis-parinaroyl-CoA displacement, and (v) NBDAEA displacement analogous to NBD-stearic acid displacement. Data were corrected for the following blanks/controls: protein only, fluorescent ligand only, fluorescent ligand with anincreasing amount of nonfluorescent ligand, and photobleaching.
7480	1	Fluorescence Binding Assay	Fluorescence spectroscopy was used to determine the G6P and F420 dissociationconstants (Kd) for the FGD wild-type and mutant enzymes. A Spectrosil Quartz submicro cell (160 &#956;L nominal volume) from Starna Cells was used to monitor the binding assays at 22 °C on a Horiba FluoroMax Spectrofluorometer, with excitationand emission slit widths set at 4 and 8 nm, respectively. All binding assays were performed in 50 mM Tris-HCl (pH 7.0). To obtain the Kd of F420, increasing concentrations of F420 in either 1 or 2 &#956;L aliquots were titrated into a solution containing 350 nM FGD, to final F420 concentrations of 0.05&#8722;8.8 &#956;M. The samples were excited at 290 nm, and the emission scan was performed from 310 to 500 nm. The Kd for G6P was also determined under similar conditions by titrating 1 or 2 &#956;Laliquots of G6P into a solution containing 350 nM FGD, to final G6P concentrations of 2&#8722;371 &#956;M. Each experiment was conducted in duplicate.
7485	1	bBiDomain assay	Reactions were carried out using the buffered solution reported for the three-component reaction. The bBiDomain reactions included 100 nm bBiDomain and either YumC or FLDR at 1 &#956;m; except for reactions in which YumC concentrations were varied. For inhibition assays, inhibitors were added at 30 &#956;m. Similar to the three-component reaction, bBiDomain reactions were initiated with NADPH at a final concentration of 400 &#956;m, quenched by thermal denaturation, and analyzed by Griess reaction.
7486	1	HDAC activity assays	Enzymatic characterization (Km determinations, Supplementary Fig. 3C) of zebrafish HDAC6 proteins (CD1-CD2; CD1H193A-CD2; CD1CD2H574A; CD1H193A- CD2H574A) was done with 50 nM of purified protein and increasing amounts of Fluor de Lys substrate, using an HDAC assay kit from Enzo biochemicals and following the manufacturer's instructions. Human HDAC6 protein (HsHDAC6 FL) was obtained from Reaction Biology Corporation. The fluorescence intensity was detected with a Spectromax Gemini plate reader (Molecular Devices). Curve fitting was done using GraphPad (GraphPad Software). The values expressed are the average of duplicate independent trials &plusmn; s.d.
7487	1	Enzyme Assay	Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate Boc-lys(Ac)-AMC. The reaction is carried out in flat-bottom, 96-well, or 384-well microplates. After the substrate was deacetylated by HDACs, the product AMC which was obtained from hydrolysis by trypsin can generate fluorescence signal. Measurement is taken in using an multilabe plate reader a 355 nm excitation filter and a 460 nm emission filter. The initial rate of fluorescence should accurately reflect the rate of product formation and enzyme activity.  Sample processing: The sample was dissolved in DMSO and kept at a low temperature. DMSO in the final system is limited under a low concentration which won&#39;t affect the enzyme activity.
7488	1	Inhibition Assay	mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were diluted with potassium phosphate buffer containing reduced glutathione (pH7.4), and DMSO containing test compound or DMSO alone was added (such that DMSO final concentration would be 1% in each) and incubated at 4° C. for 20 minutes. Then, the enzymatic reactions were initiated by the addition of PGH2 substrate (final concentration 1 &#956;M) and incubated at 4° C. for 60 seconds. The reaction was terminated by the addition of a citrate solution (final citrate concentration 50 mM) containing ferric chloride (final concentration 1 mg/mL). PGE2 production in the enzyme reaction aliquot was measured using HTRF kit (Cisbio International, catalogue #62P2APEC).
7489	1	Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80&deg; C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
7489	2	GTPgammaS Binding Assay	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60&deg; C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
7490	1	Enzyme Assay	To check the B-Raf kinase inhibitory activity of the compounds of the present invention, the following experiments were conducted.(1) Serial Signaling: 20 ul of diluting solvent (20 mM MOPS, pH 7.2, 25 mM -glycerol phosphate, 5 mM EGTA, 1 mM sodium orthovanadate, 1 mM dithiothreitol) and 10 ul of Mg/ATP mixed solution (500 uM ATP, 75 mM magnesium chloride) were added into a centrifuge tube, the derivative compound of Formula 1 was added or the compounds of the Examples were not added as a control group, and then 1 ng of activated B-Raf, 0.4 ng of inactivated MEK1, and 1 ug of inactivated MAPK2 were added. The solutions in the tube were collected on the bottom via centrifugation and were reacted at 30&deg; C. for 30 minutes. After taking 4 ul of the mixed solution, the test proceeded to the next step.(2) Phosphorylation of Matrix Protein MBP by MAPK2: 10 ul of diluting solvent, 20 ug of MBP used as a matrix.
7490	2	Cell Activity Inhibition Assay	To check the B-Raf cell activity inhibitory capability of the compounds of the present invention, the following experiments were conducted in A375P cell line (ATCC). The A375P cell line (ATCC) was derived from a patient with human melanoma, and had V600E mutant of B-Raf gene. A375 cell was maintained in DMEM supplemented with 10% fetal bovine serum, glutamine (2 mM), penicillin (100 U/mL), and streptomycin (100 ug/mL). The cell was maintained at 37&deg; C., and in 5% CO2 and 100% humidity. To conduct the growth inhibition test, the cell was plated by using a white 384-well microplate, with 1000 cells/20 l plated per 1 well. After 24 hours, 5 ul of 5x stock solution of drug was added. All the drugs were initially prepared with 200x stock solution in DMSO, and the final concentration of DMSO was 0.5%. The cell was incubated at 37&deg; C. for 72 hours. For MTT assay, 'CellTiter 96 (R) Non-Radioactive Cell Proliferation Assay (G4100) kit by Promega Corp. was used.
7491	1	Kinase Assay	The compounds of the invention were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50 was measured for each kinase in the 40 uL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. The ATP concentration in the reactions was 90 uM for Jak1, 30 uM for Jak2 and 3 uM for Jak3. Reactions were carried out at room temperature for 1 hr and then stopped with 20 uL 45 mM EDTA.
7492	1	Homogeneous Time Resolved Fluorescence Assay	The ability of the compounds of the present invention to inhibit the activity of four PI3K isoforms, PI3K&alpha;, PI3K&beta;, PI3K&gamma;, and PI3K&delta;, were determined using a commercially available lipid kinase assay run in Homogeneous Time Resolved Fluorescence (HTRF) format. Assay DescriptionAssay principle: The PIP3 product is detected by displacement of biotin-PIP3 from an energy transfer complex consisting of Europium labeled anti-GST monoclonal antibody, a GST-tagged pleckstrin homology (PH) domain, biotinylated PIP3 and Streptavidin-Allophycocyanin (APC). Excitation of Europium in the complex results in an energy transfer to the APC and a fluorescent emission at 665 nm. The PIP3 product formed by PI 3-Kinase(h) activity displaces biotin-PIP3 from the complex resulting in a loss of energy transfer and thus a decrease in signal.This is a 3-step reaction: First, the kinase reaction with PIP2 substrate is carried out in the presence of ATP, and the reaction is quenched.
7493	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter.
7494	1	In Vitro Assay	On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash buffer of 50 mM HEPES (pH 7.4), 150 mM NaCl, and 5 mM MgCl2 was prepared to wash the filter plate. To prepare an assay buffer, BSA was added to the wash buffer to reach 0.01% and DTT was added to reach 1 mM. For IC50 mode, 10 mM compound stocks were serially diluted in DMSO with DMSO to give 20x required final concentration in DMSO (15 uL compound+30 uL DMSO). The 20x compound stocks were diluted in DMSO with Assay Buffer 4-fold to reach 5x the final test concentration in 25% DMSO (10 uL compound+30 uL Assay Buffer). Solutions were mixed by aspiration several times with a pipette set on 50 uL volume. For the assay, 10 uL of 5x compound stock solutions in 25% DMSO were added to the assay plate in duplicate.
7495	1	Caliper's mobility shift assay (MSA)	FLT3 is a receptor tyrosine kinase involved in survival and proliferation of leukemic cells. Constitutively activating FLT3 mutations has been found in about 30% of all patients with acute myeloid leukemia (AML). The tested compounds were screened for their ability to inhibit FLT3 kinase activity using Caliper's mobility shift assay (MSA). The assay uses a microfluidic chip to measure the conversion of a fluorescent peptide substrate to a phosphorylated product following separation by electrophoresis. The signature of the fluorescence signal over time reveals the extent of the reaction. Protein tyrosine kinase assays were carried out in a final volume of 25 ul containing 0.9 nM purified FLT3 (Carna, Cat 08-154) enzyme protein, 50 mM HEPES [pH=7.5], 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT, 2% DMSO, 97 uM ATP, 1.5 uM peptide 2. Each Compound was added into the reaction to final concentrations from 300 nM to 0.015 nM (10 concentration points in 3 fold serial dilution).
7496	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LabChip 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. 
7497	1	Binding Assay	The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al., Journal of Neurochemistry, (1997) 69, 1810-1819]. For this purpose, COS-7 cells expressing the human 5-HT4 receptor were constructed and homogenized to obtain membrane homogenates which were then used in binding assay experiments. For the binding assay, the membrane homogenates were respectively mixed and incubated with different concentrations of test materials and [H3]-GR113808 (Amersham Biosciences). The concentrations of the individual test materials were set to 4 uM, 1 uM, 0.25 uM, and 0.0625 uM, respectively, and the concentration of [H3]-GR113808 was set to 0.595 nM. After the incubation was completed, the reaction products were collected in GF/B glass fiber filters using a Packard cell harvester, and the bound radioactivity was then determined using a liquid cell scintillation counter (Packard TopCount NXT).
7498	1	Time-Resolved Fluorescence Resonance Energy transfer (TR-FRET) Assay	Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2× Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, 1% (v/v) DMSO at the following concentrations for each isoforms: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. After an assay reaction time of 30 minutes at 25° C., reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 10lps delay and 500 &#956;s read window).
7461	1	HDAC6 fluorescence anisotropy assay	The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using a TECAN infinite F200Pro plate reader (&#955;ex = 485 nm, &#955;em = 535 nm)60. Briefly, 30 nM fl-SAHA was titratedwith enzyme (0&#150;15 &#956;M) and incubated at room temperature for 20 min.The Kd values were determined by fitting the binding isotherm using GraphPad Prism software.
7499	3	A3 Adenosine Receptor Binding Assay	Aliquots of cell membranes (90 ug) were incubated at 25 &deg;C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 units/mL ADA, pH 7.4) in the presence of 30 nm [3H]NECA and six different concentrations of the tested compounds. Non-specific binding was determined in the presence of 100 uM R-PIA.
7500	1	Topoisomerase II&#945; Relaxation Assay	Relaxation of negatively supercoiled plasmid DNA by human topoisomerase II&#945; was assayed in 20 µL of reaction buffer (10 mM Tris-HCl, pH 7.9, 150 mM NaCl, 0.1% BSA, 0.1 mM spermidine, 5% glycerol and ATP) containing 250 ng of supercoiledpHOT1 plasmid DNA and 1 unit of enzyme. After incubation at 37 °C for 30 min, the reactions were terminated and analysed by agarose gel electrophoresis. The ethidium bromide-stained gel was photographed over UV light for densitometry analysis.
7501	1	In vitro AChE and BChE Assay	The synthesized compounds (each separately) were dissolved in a mixture of DMSO (1 ml) and methanol (9 ml) and then diluted in KH2PO4/K2HPO4 buffer (0.1 M, pH 8.0) to obtain desired concentration. The reaction mixture consisted of appropriate amount of phosphate buffer (pH 8.0), DTNB, test compounds, of 0.03 U/ml of enzymes (AChE and BChE). The mixture was pre-incubated at 30 °C for 10 min and followed by adding 1 mM ATCI or BTCI and incubated again for 15 min. The enzymatic hydrolysis was monitored at 412 nm using µQuant microplate spectrophotometer (MQX200, BioTek USA). Instead of inhibitor, DMSO was used asnegative control to subtract its effect on activity. All reactions were carried out in triplicate. The hydrolysis processes was monitored by Ellman&#39;s microplate method at 412 nm in the presence and absence of various concentrations of compounds at 30 °C.
7502	1	In vitro COX Inhibition Assay	The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening assay kit (catalogue number 760111, Cayman Chemical, Ann Arbor, MI, USA), which utilises the peroxidase component of COX, as per the manufacturer's instructions. The peroxidase activity is assayed colorimetrically by monitoring the appearance of oxidised N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD) at 590 nm.
7502	2	Enzyme Kinetics Assay	The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated at different concentrations between 20 and 100 µM. The mode of inhibition was determined by following the Lineweaver-Burk double reciprocal plot analysisof the data and calculated as per the Michaelis-Menten kinetics.
7503	1	Cholinesterase Inhibition Assay	In a 96-well plate, 50 uL of the sample dissolved in phosphate buffer (8 mmol/L K2HPO4, 2.3 mmol/L NaH2PO4, 150 mmol/L NaCl, and 0.05% Tween 20 at pH 7.6) as well as 50 uL of the AChE/BChE solution (0.25 unit/mL), from Electrophorus electricus/Bovine serum in the same phosphate buffer, were added. The assay solutions, except the substrate, were pre-incubated with the enzyme for 30 min at room temperature. After pre-incubation the substrate was added. The substrate solution consists of Na2HPO4 (40 mmol/L), acetylthiocholine/butyrylthiocholine (0.24 mmol/L), and 5,5'-dithio-bis-(2-nitrobenzoic acid) (0.2 mmol/L, DTNB, Ellman's reagent). The absorbance of the yellow anion product, due to the spontaneous hydrolysis of substrate, was measured at 405 nm for 5 min on a Microtiter plate reader (Multiskan EX, Thermo, Vantaa, Finland).
7504	1	In vitro HDAC8 Assay	Briefly, the HDAC8 enzyme was diluted 20 times. Then, 10 &#956;L of HDAC8 solution was mixed with compounds at various concentrations (50 &#956;L). Then, 40 &#956;L of the substrate [Boc-Lys-(acetyl)-AMC, 300 &#956;m] was added, and the mixture was incubated at 37 °C for 30 min. Subsequently, the reaction was stopped by the addition of 100 &#956;L of developer containing trypsin (10 &#956;g/mL) and TSA (2 &#956;m). Fluorescence intensity was measured by a microplate reader at excitation and emission wavelengths of 390 and 460 nm, respectively.
7504	2	APN Inhibition Assay	Briefly, the assay was performed in 96-well plates in 50 mm PBS, pH 7.2 as the assay buffer, at 37 °C. The APN solution was mixed with compounds at various concentrations and incubated at 37 °C for 5 min. Subsequently, the substrate (l-leucine-p-nitroanilide) was added and the mixture was incubated for 30 min at 37°C. Finally, the hydrolysis of the substrate was measured by a microplate reader (Thermo Fisher, Shanghai, China) at 405 nm.
7505	1	In vitro HDACs Inhibition Fluorescence Assay	In brief, 10 &#956;L of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target compounds (50 &#956;L), SAHA, and PXD101, using 100% and none HDACs groups as control group. Afterincubation at 37 °C for 10 min, 40 &#956;L of fluorogenic substrate (Boc-Lys(Ac)-AMC for HeLa nuclear extracts; Ac-Leu- GlyLyS(Ac)-AMC for HDAC1, HDAC6, and HDAC11; Ac-Leu-GlyLyS(Tfa)-AMC for HDAC4 and HDAC8) was added, and then, the mixture was incubated at 37 °C for 30 min. The mixture was stopped by addition of 100 &#956;L of developer containing trypsin and TSA afterward. Over the next incubation at 37 °C for 20 min, fluorescence intensity was measured using a microplate reader at excitation and emission wavelengths of 390 and 460 nm, respectively.
7506	1	Enzyme Assay	JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer Co., Ltd. (PE)) was used. Dilute solutions of compounds and enzymes in assay buffer (50 mM HEPES pH7.5, 1 mM EGTA, 1 mM MgCl2, 2 mM DTT, 0.01% Tween20) were dispensed into wells of a 384-well black plate. After 5 minutes of preincubation, dilute solutions of the substrate and ATP (adenosine triphosphate) were added at a final concentration of 100 &#956;M, and the plate was incubated at room temperature for 2 hours. After addition of a termination reagent containing EDTA (ethylenediamine tetraacetic acid) at a final concentration of 10 mM, LANCE Eu-W1024 Anti-phosphotyrosine (PT66) (manufactured by PE) was added, and after 1 hour of incubation, the fluorescences were measured with ARVO-HTS. 
7507	1	Inhibition Assay	Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 M. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 uM by serial dilution with DMSO:CH3CN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO: CH3CN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v. Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension.
7508	1	Radioligand Binding Assay	To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compounds were serially diluted in 100% DMSO and added to each row of the assay plate to achieve desired compound concentrations, keeping the DMSO concentration in the assay plate at 1.33% of the final reaction volume. Next, 3H Ro 25-6981 (4 nM) was added to the assay plate. After incubation for 1 hr at room temperature, the membrane bound radioligand was harvested on to GF/B filter plates (treated with 0.5% PEI for 1 hr at room temperature). The filter plates were dried at 50&deg; C. for 20 mins, incubated with microscint 20 for 10 minutes and finally, the counts were read on TopCount (Perkin Elmer). Non-specific binding was determined using MK-0657 (the preparation of this compound is described as example 1 in WO 2004 108705 (40 uM).
7509	1	Fluorescence Polarization Competition Immunoassay	A fluorescence polarization competition immunoassay was used to measure compound inhibition of CSF-1R phosphorylation of tyrosine on a synthetic CSF-1R555-568 peptide (SYEGNSYTFIDPTQ). The assay was performed in black 96-well microplates (Cat #42-000-0117, Molecular Devices, Sunnyvale, Calif.). To each well, 5 uL of compound (in 4% DMSO) were mixed with 2 uL of 3.5 nM CSF-1R, 25 mM MgCl2 in assay buffer (100 mM HEPES (hydroxyethylpiperazineethylsodiumsulfonate), pH 7.5, 1 mM DTT (dithiothreitol), 0.01% Tween-20), and 2 uL of 1540 uM peptide in assay buffer. The kinase reaction was initiated by adding 1 L of 10 mM ATP in assay buffer. The final concentrations in the 10 uL reaction mixture were 100 mM HEPES, pH 7.5, 1 mM DTT, 0.01% Tween-20, 2% DMSO, 308 uM SYEGNSYTFIDPTQ, 1 mM ATP, 5 mM MgCl2, and 0.7 nM CSF-1R. Positive and negative control wells were included on each plate, where 4% DMSO in assay buffer was substituted for the compound; in addition, positive control wells received 1.2 uL of 50 mM EDTA (ethylenediaminetetraacetic acid) before the start of the reaction.
7510	1	Intracellular Ca2+ Mobilization Assay	About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 uM Fluo-4AM in loading buffer (1xHBSS, 20 mM HEPES) for 1 hr at 37&deg; C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37&deg; C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist L-glutamate was added to the cells at a concentration corresponding to EC20 (typically around 80 uM) with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of glutamate was determined immediately ahead of each experiment by recording of a full dose-response curve of glutamate. Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-glutamate), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-glutamate.
7511	1	Kinase Enzyme Assay	The compounds of the invention were screened in vitro for their ability to inhibit c-Met kinase activity. The IC50 values for the inhibition of c-Met kinase were determined as described in the literature with some modifications (Wang, X. et al, Mol. Cancer. Ther. 2003, 2(11):1085-1092; Calic, M. et al., Croatica Chemical ACTA. 2005, 78(3):367-374). Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, #PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, #P0275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, #DY990). The reaction was carried out in a 50 uL solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 uM Na3VO4, 5 uM ATP (Cell Signaling Technology, #9804) and serial dilutions of the test compound. The reaction lasted for 25 minutes at 30&deg; C. After the reaction was completed, the contents of the plates were.discarded.
7512	1	Enzymatic Activity Assay	The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumine. The enzyme was pre-incubated with the test compound for 30 min at 24&deg; C. The kinase reaction was initiated by addition of the substrate mixture containing the peptide substrate (final concentration 1 uM) and ATP (final concentration 10 uM). After 60 min incubation at 37&deg; C., the enzyme reaction was terminated by adding a buffer containing 100 mM Hepes (pH 7.4) and 35 mM EDTA. For the determination of the compound dose response, a 10 mM DMSO stock solution was diluted and tested in a ten-point, three-fold dilution series run in duplicate beginning at 30 uM final concentration.
7514	1	Homogeneous Time-Resolved FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 u) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO.
7514	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1 BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1 BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay.
7515	1	Isothermal titration calorimetry 	Titrations were performed by a 0.4 µl injection followed by 19 successive injections (2 µl) of each compound(adenosine 500 µM, PS653 250 µM) into a 202 µl reaction cell containing PDK150-359 (26.5 µM and 23 µM,respectively). For the titrations of PDK1 with adenosine, the protein and the compound were prepared in 50 mMTris-HCl (pH 7.4), 200 mM NaCl, 1 mM DTT and 1% v/v DMSO. For the titration of PDK1 with PS653 theprotein and the compound were prepared in 50 mM Tris-HCl (pH 7.4), 200 mM NaCl, 1 mM DTT and 5% v/vDMSO. Errors on the thermodynamic parameter values in Table 1 are non linear least square fitting errors of theexperimental binding isotherms using the Levenberg-Markardt iteration method (Freire et al., 2009). The titrationof PDK1 with adenosine was performed at 25 C, and the titration of PDK1 with PS653 was made at 37 C. Rawcalorimetric data were corrected for heats of dilution. Binding stoichiometries, enthalpy values and Kd valueswere determined by fitting corrected data to 
7516	1	enzyme-based fluorimetric assay	For this assay, the reagents used as follows. The substrate corresponds to Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg 25 mm in assay buffer. This low-fluorescent peptide is cleaved by MMPs to provide Mca-Pro-Leu-Gly, which is intensely fluorescent at an excitation at 340 nm and emission at 405 nm. While the enzymes pro-MMP-2 250 pm and MMP-9 (recombinant catalytic sequence) 500 pm in assay buffer. The assay buffer consists of Tris HCl 0.1 m, pH 7.5, NaCl 0.1 m, CaCl2 10 mm, 0.05% v/v BRIJ35, APMA (p-aminophenylmercuric acetate) 1 mm. This was carried out in 96-well plate, a solution of inhibitor (50 mL) at the appropriate concentration and enzyme (50 mL) was incubated together at 25 &deg;C for 30 min, and then 10 mL of substrate solution was added and the plate was further incubated 3 h at 37 &deg;C. The incubation solutions were quenched with acetic acid (100 mL of 3% soln.) and their fluorescence was recorded with the help of a plate reader spectrometer. The inhibitory activities were calculated against a control and IC50 curves, derived from 6 different inhibitor concentrations, extrapolated by means of statistical analysis program graphpad prism (v. 4.0; San Diego, CA, USA). Each inhibitor concentration was used in triplicate and the experiments run twice.
7517	1	In vitro Enzyme Inhibition Assay	The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 tRNA (Roche) and 10 &#956;M L-tyrosine (0.3 &#956;M L-[ring-3,5-3H] tyrosine (PerkinElmer, Specific activity: 1.48-2.22 TBq/mmol), 10 &#956;M carrier). Above all, TyrRS (0.2 nM) was pre-incubated with kinds of concentrations inhibitor for 10 min (RT) followed by the addition of pre-warmed mixture and moved them together to 37 °C. After specific intervals, the reaction was ended by the addition of aliquots of the reaction mix into gelid 7% trichloroacetic acid and harvested onto 0.45 mm hydrophilic Durapore filters (Millipore Multiscreen 96-well plates) and counted by liquid scintillation.
7518	1	Competitive Binding Assays	The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spiperone (D2R and D3R) as the standard radioligands. 1 nm-10 &#956;m l-SPD and l-SLR were used as the control for the assay. For the preliminary screening, the potential of each compound at a concentration of 10 &#956;m to inhibit the binding of a tritiated-labeledligand to its receptor was examined.
7518	2	D1R Functional Assay	The [35S]GTP&#947;S binding assay was performed at 30 °C for 30 min containing 10 &#956;gof membrane protein in a final volume of 100 &#956;L with various concentration of the compound. The antagonism effects of the compounds were tested in the existence of10 &#956;m haloperidol for the D1R. The binding buffer contains 50 mm Tris, pH 7.5, 5 mm MgCl2, 1 mm ethylenediamine tetraacetic acid (EDTA), 100 mm NaCl, 1 mm DL-dithiothreitol, and 40 &#956;m guanosine triphosphate. The reaction was initiated by the addition of [35S]GTP&#947;S (final concentration of 0.1 nm). Non-specificbinding was measured in the presence of 100 &#956;m 50-guanylimidodiphosphate (Gpp(NH)p). The reaction was terminated by the addition of 1 mL of ice-coldwashing buffer (50 mm Tris, pH 7.5, 5 mm MgCl2, 1 mm EDTA, and 100 mm NaCl) and was rapidly filtered with GF/C glass fiber filters (Whatman) and washed three times. Radioactivity was determined by liquid scintillation counting. Again, l-SPDwas used as the control 
7519	1	FRET-based Z&#39;-lyte Assay	Briefly, 10 &#956;L per well reactions contained ATP concentration at 25 &#956;m for Syk,2 &#956;m Tyr2 peptide substrate in 50 mm HEPES (PH 7.5), 0.01% BRIJ-35, 10 mm MgCl2, 1 mm EGTA, 0.0247 &#956;g/mL Syk, and inhibitors as appropriate. The reaction wasperformed at room temperature for 1.5 h, and then, 5 &#956;L of development reagent was added for a further 1-h room temperature incubation followed by the addition of 5 &#956;L of stop solution. Fluorescence signal ratio of 460 nm/530 nm was examined on EnVision Multilabel Reader (Perkin-Elmer, Inc., Waltham, MA, USA).
7520	1	PTP pNPP Assay	PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 mg/mL BSA) at 25&deg; C. The assays were performed in 96-well plates. Normally, to determine the IC50 values, the reaction was initiated by the addition of enzyme (final concentration of 10 nM) to a reaction mixture (0.2 mL) containing 2 mM (Km for the substrate) pNPP with various concentrations of inhibitors. The reaction rate was measured using a Spectra Max Plus 384 Microplate Spectrophotometer (Molecular Devices). For compound 10, the final TC-PTP concentration was 0.04 nM. The reactions were incubated at room temperature for 30 min and quenched with 5N NaOH. The absorbance at 405 nm was read on the SpectraMax Plus 384 Microplate Spectrophotometer. For the reversibility test, the enzyme was incubated with the inhibitor at room temperature for 30 min before pNPP was added to initiate the reaction. The reaction was then incubated at room temperature.
7521	1	Enzymatic Activity Assay	This assay measures the substrate consumption by quantifying the remaining NAD+ through its chemical conversion to a stable fluorescent condensation product upon treatment by acetone and alkaline followed by heating in acidic conditions. Reaction was carried out on U-shaped black polypropylene 96-well plates (Greiner BioOne, Frickenhausen, Germany). The volume in the control (maximal signal) and reaction (minimal signal) wells was 50 µL, and they contained buffer and NAD+ (Sigma-Aldrich) (500 nM in most experiments) or buffer, NAD+, and tankyrase 1, respectively. The plate was kept at 25 °C, 300 rpm using the Biosan PST 100HL (Riga, Latvia) plate shaker during the enzymatic reaction. The plate was covered with an Amplate cover (Simport, Waltham, MA) throughout the enzymatic and chemical reaction. Original assay protocol was modified so that 20 µL of 20% acetophenone in ethanol was added in the fume hood before the addition of 20 µL 2 M KOH. After incubation, the plate was moved to 4 °
7522	1	Cholinesterase Inhibition Assay	Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 &#956;L of each (0.001-25 &#956;m final concentration range) was incubated for 5 min at room temperature with 160 &#956;L of 1.5 mm DTNB, 50 &#956;L 0.22 U/mL AChE [in 50 mm Tris-HCl, pH 8.0, 0.1% w/v bovine serum albumin (BSA)], or 50 &#956;L 0.12 U/mL BuChE (in 50 mm Tris-HCl, pH 8.0, 0.1% w/v BSA). After the incubation period, 30 &#956;Lof ATChI (15 mm, prepared in ultrapure water) or BuTChI (15 mm, prepared in ultrapure water) was added to 96-well plates. Test compound inhibition of ChE was measured via UV absorbance (412 nm wavelength) using a microplate reader (SpectraMax M5) at various time intervals (t = 0, 1, 2, 3, 4, and 5 min).
7523	1	Endothelial Lipase Assay	To assay for cell surface lipase activity, cells expressing human endothelial lipase (EL) or LPL were plated in CellBIND 384-well plates (Corning, Lowell, Mass.) in 25 &#956;L serum free medium at a density of 2000 cells/well. After 18-24 hours incubation at 37° C., the medium was removed and replaced with 15 &#956;L assay buffer [Hank&#39;s Buffered Saline Solution with 25 mM HEPES pH 7.2] and 15 &#956;L PLA1 substrate for a final concentration of 10 &#956;M using a Multidrop reagent dispenser. Fluorescence signal was monitored for 30 min at 37° C. on a Safire II plate reader in kinetic mode (60 cycles, kinetic interval: 30 seconds) with an excitation wavelength of 490 nm and an emission wavelength of 515 nm. 
7524	1	Inhibition Assay	Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1aa, without varying the [4-(4-pyridinyl)-2-thiazolyl] terminus (FIG. 4). The [4-(4-pyridinyl)-2-thiazolyl] group was believed to act as a hinge-binding moiety with the nitrogen of the pyridyl H-bonding to the back bone NH of the hinge Met156, as seen in the crystal complex of ROCK1 with Fasudil (PDB ID 2ESM) (Jacobs, et al., The structure of dimeric ROCK I reveals the mechanism for ligand selectivity, J Biol Chem, 2006, 281:260-8).All compounds were systematically screened against ROCK1 and ROCK2. IC50 values were systematically determined only for compounds that inhibit 40% of ROCK1 kinase activities at 50 &#956;M. 
7525	7	Radioligand Dose-Displacement Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 ug membrane protein in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 500 ul ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. Fifty ul/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted.
7525	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for t-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 ul binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 ul of ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 ul/well), and plates were counted using a Packard Top-Count.
7525	3	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hr at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 2001 ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. 
7525	5	Radioligand Dose-Displacement Binding Assay	Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 ug membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 ul binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 uM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hr at a temperature of about 25&deg; C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 ul ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 1-2 hours.
7525	8	Functional Assay	Functional [35S]GTPgammaS binding assays were conducted as follows. ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/ul ORL-1 membrane protein, 10 ug/ml saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 101 of 20x concentrated stock solutions of agonist/nociceptin prepared in DMSO. Plates were incubated for 30 min at room temperature with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 ul ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50&deg; C. for 2-3 hours.
7525	2	Functional Assay	[35S]GTPgammaS functional assays were conducted using freshly thawed u-receptor membranes (Perkin Elmer, Shelton, Conn.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTPgammaS (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 2001 of ice-cold binding buffer.
7525	4	Functional Assay	Functional [35S]GTPgammaS binding assays were conducted as follows. kippa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/ul kippa membrane protein (in-house), 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 2001 ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50&deg; C. for 2-3 hours.
7525	6	Functional Assay	Functional [35S]GTPgammaS binding assays were conducted as follows. Delta opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 ug/ul delta membrane protein (Perkin Elmer, Shelton, Conn.), 10 ug/mL saponin, 3 uM GDP and 0.20 nM [35S]GTPgammaS to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 ul/well) was transferred to 96-shallow well polypropylene plates containing 10 ul of 20x concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 ul ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50&deg; C. for 1-2 hours.
7526	1	IMAP-FP Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-SFAM (5-carboxyfluorescein)-COOH), and 75 uM ATP.
7527	1	Inhibition Assay	The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ALK and cMet enzymes were used and the substrate was a peptide substrate, poly[Glu:Tyr] (4:1) at a concentration of 0.2 mg/ml. The ATP concentration for the assay was 10 uM and Staurosporine was used as a standardwith an IC50 of 2.3 nM, and 75 nM, respectively for ALK and cMet.
7528	1	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
7529	1	Enteropeptidase Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 uL), 400 mM Tris-HCl buffer (pH 8.0, 25 uL) and 0.5 mg/mL, fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-beta-Naphtylamide, 25 uL) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 uL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm.
7529	2	Trypsin Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 uL) was mixed with 20 uM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 uL) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 uL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm.
7530	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco's Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 ug/ml hygromycin and 15 ug/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 uM Fluo-4AM in loading buffer (1xHBSS, 20 mM HEPES) for 1 hr at 37&deg; C. and washed five times with loading buffer.
7530	2	Binding Assay	For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and Christensen [Cytotechnology 15:1-13 (1998)]. Cell membrane homogenates were stored at -80&deg; C. until the day of assay where upon they were thawed and resuspended and polytronised in 15 mM Tris-HCl, 120 mM NaCl, 100 mM KCl, 25 mM CaCl2, 25 mM MgCl2 binding buffer at pH 7.4 to a final assay concentration of 20 ug protein/well.Saturation isotherms were determined by addition of twelve [3H]MPEP concentrations (0.04-100 nM) to these membranes (in a total volume of 200 ul) for 1 h at 4&deg; C. Competition experiments were performed with a fixed concentration of [3H]MPEP (2 nM) and IC50 values of test compounds evaluated using 11 concentrations (0.3-10,000 nM). Incubations were performed for 1 h at 4&deg; C.At the end of the incubation, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.1% PEI in wash buffer, Packard BioScience, Meriden, Conn.) with a Filtermate 96 harvester (Packard BioScience) and washed 3 times with cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 uM MPEP. The radioactivity on the filter was counted (3 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 ul of microscint 40 (Canberra Packard S. A., Zurich, Switzerland) and shaking for 20 min.
7531	1	Biochemical Assay	The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP autoparsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 uL of compound in beta-point serial dilutions with concentrations ranging from 0.0086 to 18.75 uM, 20 nM of purified enzyme, and 250 nM of beta-NAD+ in the 1x Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 uL of 5x quenching solution (20% formic acid and 500 nM [d4]-nicotinamide in water). For the background control wells, 10 uL of the 5x quenching solution per well was added prior to the addition of beta-NAD+.
7532	1	In Vitro Inhibition Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Stiirzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
7532	2	In Vitro Inhibition Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
7532	3	Enzyme Assay	Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 minutes. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. The Km for the cleavage of each substrate was determined by standard transformation of the Michaelis-Menten equation. 
7533	1	Radioligand Binding Assay	Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR subtype. The binding affinity for hA1, A2A and A3ARs was measured using a fixed (nM)concentration of an agonist radioligand, i.e. [3H]N6-R-phenylisopropyladenosine(~1.5), [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5&#8242;-N-ethylcarboxamidoadenosine(~16), or [125I]N-(4-amino-3- iodobenzyl)adenosine-5&#8242;-N-methyl-uronamide (~1.2), respectively. Nonspecific binding was determined using adenosine-&#8242;-Nethyluronamideat 10 &#956;M concentration.
7534	1	IC50-Activity Assay (AR)	The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the conversion of the aldehyde substrate into the alcohol product. The assays were performed at 25 °C in a 100 mM sodium phosphate buffer (pH 7.0), with the protein amount reaching the Vmax, and 0.2 mM NADPH. The final reaction volume was 600 &#956;L per reaction. All compounds were dissolved in dimethyl sulfoxide (DMSO), and the corresponding solution was added to the cell to be assayed in a final concentration of 2% (v/v) DMSO and incubated for 5 min at 25 °C prior to the addition of the substrate. The reaction was initiated by the addition of 1 mM glyceraldehyde, and the decrease in optical density at 340 nm was monitored for at least 3 min at 25 °C in a UV&#8722;vis spectrophotometer (Cary 400 Bio (Varian)).
7534	2	IC50-Activity Assay (AKR1B10)	The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the conversion of the aldehyde substrate into the alcohol product. The assays were performed at 25 °C in a 100 mM sodium phosphate buffer (pH 7.0), with the protein amount reaching the Vmax, and 0.2 mM NADPH. The final reaction volume was 600 &#956;L per reaction. All compounds were dissolved in dimethyl sulfoxide (DMSO), and the corresponding solution was added to the cell to be assayed in a final concentration of 2% (v/v) DMSO and incubated for 5 min at 25 °C prior to the addition of the substrate. The reaction was initiated by the addition of 60 mM glyceraldehyde and 0.2 mM pyridine-3-aldehyde, and the decrease in opticaldensity at 340 nm was monitored for at least 3 min at 25 °C in a UV&#8722;vis spectrophotometer (Cary 400 Bio (Varian)).
7538	1	Electrochemiluminescence (ECL)-based Immunoassay	To measure &gamma;-secretase activity, membranes were incubated at 37&deg; C. for 1 h in 50 &mu;L of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDTA. At the end of the incubation, A&beta; 40 and A&beta; 42 were measured using an electrochemiluminescence (ECL)-based immunoassay. A&beta; 40 was identified with antibody pairs TAG-G2-10 and biotin-W02, while A&beta; 42 was identified with TAG-G2-11 and biotin-4G8. The ECL signal was measured using an ECL-M8 instrument (IGEN International, Inc.) according to the manufacturer's instructions.
7539	1	AlphaLISA Assay	An in-vitro AlphaLISA assay (Perkin Elmer) was developed in order to quantitate the level of PCSK9 secreted into the cell culture media following compound treatment. To detect and measure PCSK9 protein an in-house generated anti-PCSK9 antibody was coupled to AlphaLISA acceptor beads by an external vendor (PerkinElmer) and a second internally developed anti-PCSK9 antibody with an epiptope distinct from that of the acceptor beads was biotinylated in house. Streptavidin coated-donor beads (Perkin Elmer) are also included in the assay mixture which then binds the biotinylated anti-PCSK9 antibody and in the presence of PCSK9 this donor complex and acceptor beads are brought into close proximity. Upon excitation of the donor beads at 680 nm singlet oxygen molecules are released that trigger an energy transfer cascade within the acceptor beads resolving as a single peak of light emitted at 615 nm. The ability of compound to modulate PCSK9 protein levels in conditioned media by AlphaLISA was assessed in the human hepatocellular carcinoma cell line Huh7, stably over-expressing human PCSK9.
7540	1	Cascade Assay	A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay is set up using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557), human full length MEK1 kinase (Cat No. 14-706) and human full length active MAP Kinase 2/ERK2 (Cat No. 14-536) enzymes procured from Upstate. TR-FRET (Time resolved fluorescence resonance energy transfer) detection technology is used for the read out. The assay buffer solution contains 50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.01% Tween 20, 0.1 nM activated BRAF, 2 nM inactive MEK1, 10 nM inactive ERK2, 1 mM ATP and 500 nM long chain biotin-peptide substrate (LCB-FFKNIVTPRTPPP) in a 384 well format. The kinase reaction is stopped after 90 minutes with 10 mM EDTA and Lance detection mix (2 nM Eu-labeled phospho-serine/threonine antibody (Cat. No. AD0176-Perkin Elmer), 20 nM SA-APC (Cat No. CR130-100-Perkin Elmer) is added.
7541	1	Inhibition Assay	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 ul contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat # SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 ul of YSi-SPA scintillation beads (GE Healthcare, cat. # RPNQ0150) in 18 mM zinc sulphate.
7542	1	Recombinant Receptor Functional Assay B	RECOMBINANT RECEPTOR FUNCTIONAL ASSAY (Assay B): Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 uM isobutyl-methylxanthine. Cells were then plated in a 384-well plate (Proxiplate Plus 384; 509052761; Perkin-Elmer) at a density of 2,000 cells/well and incubated with antagonist for 30 min at 37&deg; C. Human &alpha;-CGRP was then added to the cells at a final concentration of 1.2 nM and incubated an additional 20 min at 37&deg; C. Following agonist stimulation, the cells were processed for cAMP determination using the two-step procedure according to the manufacturer's recommended protocol (HTRF cAMP dynamic 2 assay kit; 62AM4PEC; Cisbio).
7542	2	Recombinant Receptor Functional Assay C	RECOMBINANT RECEPTOR FUNCTIONAL ASSAY (Assay C): Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 uM isobutyl-methylxanthine. Cells were then plated in a 384-well plate (Proxiplate Plus 384; 509052761; Perkin-Elmer) at a density of 3,500 cells/well and incubated with antagonist for 30 min at 37&deg; C. Human &alpha;-CGRP was then added to the cells at a final concentration of 1 nM and incubated an additional 20 min at 37&deg; C. Following agonist stimulation, the cells were processed for cAMP determination using the two-step procedure according to the manufacturer's recommended protocol (HTRF cAMP dynamic 2 assay kit; 62AM4PEC; Cisbio).
7543	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 uM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 ug/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL).
7544	1	Enzyme Inhibition Assay	The PI3K enzymes catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the presence of ATP and Mg2+ ions. The PIP3 product can be detected by displacement of biotin-PIP3 from energy transfer complexes consisting of europium labelled anti-GST monoclonal antibody, a GST-tagged Pleckstrin homology (PH) domain, biotinylated PIP3 and streptavidin-allophycocyanin (APC) by the time-resolved fluorescence resonance energy transfer (TR-FRET) (HTRF PI3K enzyme assay, Millipore). Excitation, at 330 nm, of europium in the complex results in an energy transfer to the APC and a fluorescent emission at 665 nm although europium itself emits at its characteristic wavelength of 620 nm. The PIP3 product formed by PI3K activity displaces biotin-PIP3 from the complex and results in a loss of energy transfer (decreasing signal).The compound to be tested was added, at the desired final concentrations, to a mixture of PIP2 substrate.
7545	1	Binding Assay	All the FP based experiments were performed in MICROFLUOR 2 Black, "U" Bottom, 96-well Microtiter Plates (ThermoSci.) and FP was measured as mP units in a microplate reader (Tecan Ultra) with excitation at 485 nm and emission at 530 nm. To dilutions of WDR5&Delta;23 (2.2-0 uM) in 100 ul assay buffer (0.1M Phosphate, 25 mM KCl, 0.01% Triton, pH 6.5) 20 ul of a fixed concentration of the tracer in the assay buffer was added, followed by an addition of 5 ul DMSO to give 125 ul of total volume. Each assay had two controls: blank (without protein and tracer) and tracer only (without protein). The plates were incubated on a shaker at room temperature to reach equilibrium and mP values were measured at the 3 hour time point.
7546	1	Adrenergic Receptor Binding Assay	The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are overexpressed (Perkin Elmer). The membrane suspensions (16 ug/well for beta1 and 5 ug/well for beta2) in assay buffer (75 mM Tris/HCl with 12.5 mM MgCl2 and 2 mM EDTA pH=7.4) were incubated with 0.14 or 0.6 nM of 3H-CGP12177 (Amersham) for beta 1 and beta 2 receptors respectively in a final volume of 250 ul, in GFC Multiscreen 96 well plates (Millipore) previously treated with assay buffer containing 0.3% PEI (Sigma). Non specific binding was measured in the presence of 1 uM propanolol. Incubation was maintained for 60 minutes at room temperature and with gentle shaking. The binding reactions were terminated by filtration and washing with 2.5 volumes of Tris/HCl 50 mM pH=7.4.
7546	2	Muscarinic Receptor Binding Assay	The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1 cells. Radioligand binding experiments were conducted in 96 polypropylene well plates in a total volume of 200 ul. All reagents were dissolved in assay binding buffer (PBS with calcium and magnesium, SIGMA), except compounds that were dissolved in DMSO 100%. Non-specific binding (NSB) was measured in the presence of 1 uM atropine. [3H]-NMS was used as the radioligand at a concentration of 1 nM for M2, M3 and M5 and 0.3 nM for M1 and M4. [3H]-NMS and antagonists were incubated with membranes that express human muscarinic receptors M1, M2, M3, M4 and M5 at concentrations of 8.1, 10, 4.9, 4.5 and 4.9 ug/well, respectively. After an incubation period of two hours with gentle shaking, 150 ul of the reaction mix were transferred to 96 GF/C filter plates (Millipore), previously treated with wash buffer.
7547	1	Biochemical Enzyme Assay	The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepared with 8-point serial dilutions for the test compounds on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 ul per well of peptide/ATP-solution (4 uM FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2, 164 uM ATP) in kinase buffer (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 18 mM MgCl2, 1 mM MnCl2) and 4.5 ul per well of enzyme solution (6.4 nM full-length human recombinant BTK) in kinase buffer. Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 ul per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Kinase reactions were analyzed on a Caliper LC3000 workstation by separating phosphorylated and unphosphorylated peptides and kinase activities were calculated from the amounts of newly formed phospho-peptide. Inhibition data were calculated by comparison to control reactions without enzyme (100% inhibition) and without inhibitors (0% inhibition).
7547	2	Cellular Assay	Alternatively, the present compounds might also be assessed for their capacity to inhibit Btk-dependent FcG receptor-induced IL-8 secretion in human cells. The human myeloid leukemia THP1 cell line (ATCC TIB202) was grown in RPMI 1640 medium supplemented with 10% FCS and 15 nM 1, 25-dihydroxy Vitamin D3 during 4 days before use to induced myeloid differentiation. A sufficient number of tissue-culture grade 384-well plates was coated with human IgG of unknown specificity by incubating overnight at 4&deg; C. with 40 ul/well of a 50 ug/ml IgG solution in PBS. On the day of the experiment, plates were washed 5 times with 80 ul water on a Molecular Devices Aquamax DW4 plate washer. Solutions of the test compounds in 90% DMSO were added to each well on a Hamilton Microlab Star liquid handling station to 40 ul/well tissue culture medium and the total DMSO concentration was adjusted to 0.1%. Differentiated THP1 cells were then added in 40 ul/well to reach a final density of 5'000 cells/well in 80 ul culture medium. After 24 hours, IL-8 secretion was measured in the supernatant by the IL-8 HTRF assay following the protocol of the vendor (CisBio international).
7548	1	Kinase Assay (Method A)	The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen et al. (1982) Eur. J. Biochem. 129, 191-5. This sensitive assay is based on the potent activation of pyrophosphate dependent phosphofructokinase-1 (PPi-PFK) from potato tubers by F-2,6-P2. The use of a series of coupled enzymes leads to a consumption of NADH (nicotinamide adenine dinucleotide) that can be followed spectrophotometrically (an updated protocol is available in Van Schaftingen, (1984) Methods of Enzymatic Analysis (Bergmeyer, H. U., ed.), 3rd edn., vol. 6, pp. 335-341, Verlag Chemie, Weinheim). A protocol for measurements in 96-well microtiter plate format is also available (Bruni et al., (1989) Anal. Biochem. 178, 324-6). These assay protocols have been adopted for the measurement of the kinase activity of PFKFB3 with some modifications as described in the protocol below. The assay was run in 96-well microtiter plates.
7548	2	Kinase Assay (Method B)	The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP is detected with a kit, ADP-Glo Kinase Assay(a-e), from Promega. The assay is a luminescent ADP detection assay that measures kinase activity by quantifying the amount of ADP produced during the kinase reaction. The assay is performed in two steps; first, after the kinase reaction, an equal volume of ADP-Glo Reagent is added to terminate the kinase reaction and deplete the remaining ATP. Second, the Kinase Detection Reagent is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferine reaction. The light generated is measured using a luminescence counter (1450 MicroBeta TriLux).The assay was performed in white 384-well microtiter plates (OptiPlate, 6007299, PerkinElmer) by consecutive additions of 0.1 uL of a test compound solution.
7549	1	Cytostar-T Assay	In detail, SK-N-MC cells are seeded into 96-well Cytostar-T assay plates at a density of 200,000 cells/well and grown for 16-18 hours to confluence in growth medium as recommended by ATCC. Before starting the assay, cells are washed once with HBSS (Hank's buffered salt solution; Sigma, H8264) cont. 5 mM alanine (referred in here as HBSS/Ala) and afterwards the following reagents are added: 1.80 ul/well HBSS/A1a 2. 20 ul/well of HBSS/A1a containing 6x the concentration of compound in 6% DMSO 3. approx. 5-10 min incubation 4. 20 ul/well 3 uM glycine (3H-glycine (Perkin Elmer, NET004001MC, specific activity: 52 Ci/mmol; diluted 1:1 with unlabelled glycine) in HBSS/A1a. In the final assay, glycine concentration is 500 nM (250 nM derived from the 3H-glycine Perkin Elmer, 250 nM unlabelled glycine), DMSO concentration is 1%. The assay plate is immediately after addition of the 3H-glycine placed into a Micro-Beta Counter (Perkin Elmer) and the signal is recorded over 60 min.
7550	1	PDGFRbeta Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T.
7550	2	PDGFRbeta	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 384-well fibronectin coated black-walled plates overnight at 37&deg; C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37&deg; C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 uM) or at concentrations ranging from 0.0001 to 10.0 uM followed by VEGF165 stimulation (10 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera. Data were generated by determining max-min fluorescence levels for unstimulated, stimulated, and drug treated samples.
7551	2	MGAT LCMS Assay	The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buffer pH 7.4, containing a final concentration of 100 uM 2-oleoylglycerol, 15 uM oleoyl-Coenzyme A and 0.0013 ug/uL Human or Mouse MGAT-2 or 0.0026 ug/uL Rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 uL of ice cold methanol containing 1 ug/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters Symmetry C8, 50x2.1 mm column, was used for the chromatography of enzyme products.
7552	1	IMAP-FP Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 uM starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 uL) was dispensed, followed by the addition of 15 uL of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 uL kinase buffer containing 2.45 uM ERK2 IMAP substrate peptides (2.25 uM-unlabeled IPTTPITTTYFFFK-COOH and 200 nM-labeled IPTTPITTTYFFFK-SFAM (5-carboxyfluorescein)-COOH), and 75 uM ATP. The final reaction in each well of 25 uL consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 uM ATP.
7553	1	BACE1 Cell-Free Assay	A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 uL assay buffer [100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20]. Plates are covered and incubated for 3 hours at 37&deg; C. The reaction is stopped with the addition of 30 uL of 1.5 uM Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm). The activity of the beta-secretase enzyme is detected by changes in the fluorescence polarization that occur when the substrate is cleaved by the enzyme. Incubation in the presence of compound inhibitor demonstrates specific inhibition of beta-secretase enzymatic cleavage of the synthetic APP substrate.
7554	1	Recombinant Human BTK Inhibition Assay	The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on the principle of fluorescence resonance energy transfer (FRET) between the Europium Cryptate labeled anti-phosphotyrosine antibody and streptavidin labeled fluorophore, XL-665. In an uninhibited kinase reaction the biotinylated peptide substrate (Tk-Biotin) gets phosphorylated at an intermediate tyrosine site which is captured by anti-phosphotyrosine antibody which eventually acts as a FRET donor. The streptavidin labeled XL-665 binds strongly to the Tk-Biotin substrate and act as a FRET acceptor. The resultant FRET signal is measured at 665 nm. A ratio of this specific fluorescence (665 nm) to the background fluorescence (620 nm), conferred by the free antibody, is directly proportional to the kinase activity. Inhibition of the kinase activity by a pharmacological intervention such as a Btk inhibitor of the present disclosure will result into decreased FRET signal.
7555	1	Radioligand Binding Assay	Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
7556	1	&beta;-Secretase (BACE-1)	&beta;-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl, M-2420, Bachem). The following procedure was employed: 5 uL of test compound (or DMSO, if preparing a control well) were pre-incubated with 175 uL of the enzyme (in 20 mM sodium acetate containing CHAPS 0.1% w/v) for 1 h at room temperature. The substrate (3 uM, final concentration) was then added and left to react for 15 min. The fluorescence signal was read at &lambda;em=405 nm (&lambda;exc=320 nm). The DMSO concentration in the final mixture maintained below 5% (v/v) guaranteed no significant loss of enzyme activity. The fluorescence intensities with and without inhibitor were compared and the percent inhibition due to the presence of test compounds was calculated. The background signal was measured in control wells containing all the reagents, except BACE-1 and subtracted.
7556	2	Inhibition Assay	AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25&deg; C. by the method of Ellman et al., using recombinant human AChE (hAChE) and Electrophorus electricus (ee) AChE and acetylthiocholine iodide as substrate (cf. G. L. Ellman et al., New and Rapid Colorimetric Determination of Acetylcholinesterase Activity Biochem. Pharmacol. 1961, vol. 7, pp. 88-95). For eeAChE inhibitory activity determination, the reaction took place in a final volume of 300 uL of 0.1 M phosphate-buffered solution pH 8.0, containing 0.03 unit/mL of ee AChE and 333 uM 5,5'-dithiobis(2-nitrobenzoic) acid (DTNB) solution used to produce the yellow anion of 5-thio-2-nitrobenzoic acid. Inhibition curves were performed in duplicates using at least 10 increasing concentrations of inhibitor and preincubating at 37&deg; C. for 20 min. One duplicate sample without inhibitor was always present to yield 100% of AChE activity. Then, substrate acetylthiocholine (450 uM) was added and the reaction was developed at 37&deg; C. for 5 min. The color production was measured at 414 nm.
7556	3	Inhibition Assay	BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 uM butyrylthiocholine, instead of AChE and acetylthiocholine, in a final volume of 300 uL. AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25&deg; C. by the method of Ellman et al., using recombinant human AChE (hAChE) and Electrophorus electricus (ee) AChE and acetylthiocholine iodide as substrate (cf. G. L. Ellman et al., New and Rapid Colorimetric Determination of Acetylcholinesterase Activity Biochem. Pharmacol. 1961, vol. 7, pp. 88-95). For eeAChE inhibitory activity determination, the reaction took place in a final volume of 300 uL of 0.1 M phosphate-buffered solution pH 8.0, containing 0.03 unit/mL of ee AChE and 333 uM 5,5'-dithiobis(2-nitrobenzoic) acid (DTNB) solution used to produce the yellow anion of 5-thio-2-nitrobenzoic acid. Inhibition curves were performed in duplicates using at least 10 increasing concentrations of inhibitor and preincubating at 37&deg; C. for 20 min.
7557	1	Omnia Assay	Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1x kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &beta;-glycerophosphate, 5% glycerol (10x stock, KB002A) and 0.2 mM DTT (DS001A). 5 uL of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25&deg; C. with a 0.5 uL volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 uL of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &lambda;ex360/&lambda;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics.
7558	1	VEGFR3 Biochemical Assay	A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2). VEGFR3 cytoplasmic domain (amino acids 798-1298) was purchased as N-terminal GST-fusion protein (the enzyme). The 15 uL assay reactions are run in Greiner brand white 384-well low volume plates. All reactions contained 10 mM HEPES pH 7.4, mM MgCl2, 0.01% (v/v) Tween-20, 50 uM Na3VO4, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 111 nM peptide substrate, 500 uM ATP, and 3.8 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 90 minutes at 30 degree Celsius.
7558	2	VEGFR3 Phospho ELISA Assay	Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well plates (Cat #665180, Greiner Bio-One) in EGM-2MV (Cat# CC-3202, Lonza) at 180,000 cells/well (volume 1 mL), and the plates incubated at 37&deg; C. and 5% CO2 for 6 hours. The media was replaced with EBM-2 (Cat # CC-3156, Lonza)+0.1% BSA (Cat# A8412, Sigma) and cells incubated for a further period (overnight at 37&deg; C. and 5% CO2).96 well Maxisorp immuno plates (Cat #439454, Nunc) were coated with 100 uL of Total VEGFR3 capture antibody (Part #841888, Human Total VEGFR3/FLT4 ELISA Kit, Cat # DYC3491, R&D Systems), or Phospho VEGFR3 Capture antibody (Part #841885, Human Phospho VEGFR3/FLT4 ELISA Kit, Cat# DYC2724, R&D Systems). The plates were covered and incubated at room temperature overnight .The coating antibody was flicked out and the plates washed three times with Wash Buffer (Phosphate buffered saline (137 mM NaCl, 2.7 nM KCl, 8.1 nM Na2HPO4, 1.5 mL KH2PO4, pH 7.2-7.4), 0.05% Tween 20). 300 uL of blocking buffer (5% v/v Tween 20, 5% w/v sucrose in PBS) was then added to wells and plate incubated for 2 hours at room temperature.
7558	3	VEGFR2	Adult human umbilical vein endothelial cells (HUVEC) (Cat# CC-2519, Lonza) were seeded into clear-bottom, TC treated 12 well plates (Cat #665180, Greiner Bio-One) in EGM-2 (Cat# CC-3162, Lonza) at 180,000 cells/well (volume 1 mL), and the plates incubated at 37&deg; C. and 5% CO2 for 6 hours. The media was replaced with EBM-2 (Cat # CC-3156, Lonza)+0.1% BSA (Cat# A8412, Sigma) and cells incubated for a further period (overnight at 37&deg; C. and 5% CO2).96 well Maxisorp immuno plates (Cat #439454, Nunc) were coated with 100 L of Total VEGFR2 capture antibody (Part #841434, Human Total VEGFR2/FLT4 ELISA Kit, Cat # DYC1780, R&D Systems), or Phospho VEGFR2 Capture antibody (Part #841419, Human Phospho VEGFR2/FLT4 ELISA Kit, Cat# DYC1766, R&D Systems). The plates were covered and incubated at room temperature overnight. The coating antibody was flicked out and the plates washed three times with Wash Buffer (Phosphate buffered saline (137 mM NaCl, 2.7 nM KCl, 8.1 nM Na2HPO4, 1.5 mL KH2PO4, pH 7.2-7.4), 0.05% Tween 20). 300 uL of blocking buffer (5% v/v Tween 20, 5% w/v sucrose in PBS) was then added to wells and plate incubated for 2 hours at room temperature.
7559	1	PDK1 Enzymatic Assay	The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(&Delta;1-50)(3.4 nM) (His6 disclosed as SEQ ID NO: 2), the PDK1 substrate biotin-bA-bAKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC (SEQ ID NO: 3) (400 nM), 4 uM ATP (with 0.2 uCi of 33P-ATP/well) and the test substance in 50 ul of conventional experimental solution per well are incubated at 30&deg; C. for 60 min. The test substances are employed in corresponding concentrations (if desired in a dilution series). The control is carried out without test substance. The reaction is stopped using standard methods and washed. The activity of the kinase is measured via the incorporated radioactivity in top count. In order to determine the non-specific kinase reaction (blank value), the experimental batches are carried out in the presence of 100 nM staurosporine.
7559	2	Luminex Assay	The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at 20,000 cells per well in 100 ul of medium (45% of RPMI1460/45% of Ham's F12/10% of FCS) and incubated on the following day for 30 min with a serial dilution of the test substance (7 concentrations) under serum-free conditions. The cells are subsequently lysed using 90 ul of lysis buffer (20 mM tris/HCl pH 8.0, 150 mM NaCl, 1% of NP40, 10% of glycerol, 1% of phosphatase inhibitor I, 1% of phosphatase inhibitor II, 0.1% of protease inhibitor cocktail III, 0.01% of benzonase) per well, and the lysates are separated off from insoluble cell constituents by means of centrifugation through a 96-well filter plate (0.65 um). The lysates are incubated overnight at 4&deg; C. with shaking with Luminex beads to which an anti-total PKB antibody is coupled. The detection is carried out on the following day by addition of a phospho-T308-PKB antibody and a species-specific peroxidase-labelled secondary antibody.
7560	1	SCD1 Enzymatic Assay	The SCD1 enzymatic assay was done in a volume of 50 uL using 10 ug of RLM (prepared as described above) in a 96-well polypropylene plate (enzyme reaction buffer contains 0.1 M K-Phosphate Buffer, 10 mM ATP, 6 mM MgCl2, 1 mM CoA, 1 mM &beta;-NADH, 1.6 mM L-glutathione, 20 uM Stearoyl-CoA). Stearoyl-[9,10-3H]-CoA (ARC-0390, 1 mCi/mL, 60 Ci/mmol,) was added at a final concentration of 2 uCi/mL. Test compound was then added to the reaction mixture at the selected concentration. After incubation at room temperature for 2 hours, 5 uL 1 N HCl was added to stop the reaction, followed by addition of 25 uL of 10% charcoal. The reaction mixture was then transferred to 96-well Multiscreen plate (Millipore, Cat# MSFCN6B50). [3H2O] was collected into Opti-plate (PE, Cat #6005290) by centrifuge, at 1,000 rpm for 2 minutes. 150 uL Microscint 40 (PE, cat #6013641) was then added to each well and counted on Topcount for [3H] counts per minute (cpm).
7561	1	In Vitro Enzyme Assay	A fusion protein comprising glutathione S transferase (GST) and human IRE-1&#945; (GST-IRE-1&#945;) was obtained from a 500 ml baculovirus-infected insect cell culture and used to measure IRE-1&#945; activity in vitro. Five &#956;l of a reaction mixture comprising 1× reaction buffer (5× reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water were added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution were added to test wells. Three &#956;l of a 128 ng/ml IRE-1&#945; preparation were added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contained only reaction mixture and test compound.After spinning the plates at 1200 rpm for 30 seconds, 3 &#956;l of an IRE-1&#945; human mini-XBP-1 mRNA stem-loop substrate 5&#8242;-CAGUCCGCAGCACUG-3&#8242; (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5&#8242; end and Black Hole Quench
7562	1	In vitro COX Inhibition Assay	COX fluorescent inhibitor screening assay kit (catalog number 700100, Cayman chemical, Ann Arbour, MI, USA) has been employed to investigate the isozymes specifity of some of the synthesized compounds 7a, 7b, 8c, 8e, and 13 following the procedure suggested by manufacturer. Briefly, in 96-well plate, either ovine COX-1 or human re-combinant COX-2 has been incubated with different concentrations of each tested compound in presence of the assay buffer (100 mM Tris-HCl, pH 8.0), heme and the fluorometric substrate 10-acetyl-3,7-dihydroxyphenoxazine (ADHP) for 20 min at room temperature. The reaction started after addition of arachidonic acid solution for 2 min at room temperature. Fluorescence of resorufin that is produced by the reaction of between PGG2 and the fluorometric substrate were analysed. Dup-697 (selective COX-2 inhibitor) and SC-560 (selective COX-1 inhibitor) were used as referencecompounds. The measured fluorescence intensity is proportional to the amount of PGG2 present in each well during the reaction. IC50 (&mu;M) that corresponds to the concentration of the inhibitor that causes 50% inhibition of COX-1 or COX-2 activity was calculated from the dose response curve of inhibition (triplicate determinations).
7563	1	JAK3 ELISA-based Kinase Activity Assay	In this ELISA-based kinase activity assay, a 96-well assay plate is coated with an artificial polypeptide serving as kinase substrate that contains tyrosineresidues being phosphorylated by JAK3 in presence of ATP. For the kinase reaction, the recombinant active human JAK3 protein fragment (aa 781 to 1124) is incubated with different concentrations of the inhibitor candidate and an appropriate amount of ATP (twice the Km value). As a consequence, the polypeptidic kinase substrate is phosphorylated as a function of inhibitory potency of the test compound. Phosphorylated tyrosine residues are detected via amonoclonal phopho-tyrosine HRP- conjugated antibody and quantification of phosphorylation degree is perfomed by comparing the phosphorylation achieved in absence (positive control) and presence of inhibitor candidate.
7563	3	Kinase HotSpot Assay	A commercial assay by Reaction Biology Corp.
7563	2	Proteros Reporter Displacement Assay	The assay is based on the displacement of a reporter probe by a test compound. Close proximity of the probe and the targeted kinase result in emission of an optical signal. Binding of a competitive test compound to the kinase (displacement of the reporter probe) results in a diminished assay signal. The displacement of the reporter probe is measured over time for eighteen different compound concentrations in two-fold dilution steps starting from 9.8 &#956;M.
7565	1	Calcein-AM Assay	MDCK-MDR1 or MDCK-MRP1 cells (50,000 cells per well) were seeded into black CulturePlate (96-well plate) with 100 &#956;L medium and allowed to become confluentovernight. Hundred microliters of test compounds was solubilized in culture medium and added to monolayers. 96/wells plate was incubated at 37 °C for 30 min. Calcein-AM was added in 100 &#956;L of phosphate-buffered saline (PBS) to yield a final concentration of 2.5 &#956;m, and plate was incubated for 30 min. Each well was washed three times with ice-cold PBS. Saline buffer was added to each well, and the plate was read to Victor3 (PerkinElmer, Waltham, MA, USA) at excitation and emission wavelengths of 485 and 535 nm, respectively.
7566	1	Aromatase Inhibition Activity Assay	This fluorescence-based assay measures the rate at which recombinant human aromatase (baculovirus/insect cell-expressed) converts the substrate 7-methoxy-trifluoromethylcoumarin (MFC) into a fluorescent product 7-ethynyl-trifluoromethylcoumarin (HFC; &lambda;ex = 409 nm, &lambda;em = 530 nm) in a NADPH regenerating system. Briefly, concentrated stock solutions of test compounds were prepared in acetonitrile. Hundred microliters of samples containing serial dilutions of test compounds (dilution factor of 3 between samples) and cofactor mixture (0.4 U/mL glucose-6-phosphate dehydrogenase; 16.2 &mu;m NADP+; 825 &mu;m MgCl2; 825 &mu;m glucose-6- phosphate; 50 &mu;m citrate buffer, pH 7.5) was prepared in a 96-well plate. After incubating the plate for 10 min at 37 &deg;C, 100 &mu;L of an aromatase/P450 reductase/substrate solution (105 &mu;g protein/mL enzyme; 50 &mu;m MFC; 20 mm phosphatebuffer, pH 7.4) was added to each well. The plate was covered and incubated for 30 min at 37 &deg;C. Seventy-five microliters of 0.5 m Tris base was then added to stop the reaction, and the fluorescence of the formed de-methylated MFC was measured with a plate reader (Spectra Max Gemini; Molecular Devices, Sunnyvale, CA, USA).
7567	1	Radioligand Binding Assay	The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros, B. et al., Trends Pharmcol. Sci. 1993, 14, 43-49; Gu, H. et al., J. Biol. Chem. 1994, 269(10), 7124-7130; Shearman, L. P. et al, Am. J. Physiol., 1998, 275(6 Pt 1), C1621-1629; Wolf, W. A. et al., J. Biol. Chem. 1992, 267(29), 20820-20825). The human recombinant transporter proteins dopamine (DAT), norepinephrine (NET) and serotonin (SERT) were selected for the in vitro assays. 
7568	1	Cellular A&#946;-Lowering Assay	DNA of the human APP wt gene (APP695) were used to assess the potency of the compounds in a cellular assay. The cells were seeded in 96-well microtiter plates in cell culture medium (Iscove, plus 10% (v/v) fetal bovine serum, glutamine, penicillin/streptomycin) to about 80% confluence and the compounds were added at a 10× concentration in 1/10 volume of medium without FCS containing 8% DMSO (final concentration of DMSO was kept at 0.8% v/v). After 18-20 hrs incubation at 37° C. and 5% CO2 in a humidified incubator the culture supernatant was harvested for the determination of A&#946;340 concentrations. 96well ELISA plates (e.g., Nunc MaxiSorb) were coated with monoclonal antibody which specifically recognize the C-terminal end of A&#946;340 (Brockhaus et al., NeuroReport 9, 1481-1486; 1998). After blocking of non-specific binding sites with e.g. 1% BSA and washing, the culture supernatants were added in suitable dilutions together with a horseradish peroxidase-coupled A&#946; detectio
7568	2	Cellular Assay	The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cell surface into the culture medium, followed by detection in an ELISA assay. Inhibition of BACE2 prevents the cleavage and shedding in a dose-dependent mannerThe stable cell line "INS-TMEM27" represents an INS1e-derived cell line with inducible expression (using the TetOn system) of full-length hTMEM27 in a doxycycline-dependent manner. The cells are cultured throughout the experiment in RPMI1640 +Glutamax (Invitrogen) Penicillin/Streptomycin, 10% Fetal bovine serum, 100 mM pyruvate, 5 mM beta-mercatptoethanol, 100 micrograms/ml G418 and 100 microgram/ml hygromycin and are grown inadherent culture at 37° C. in a standard CO2 cell culture incubator.INS-TMEM27 cells are seeded in 96-well plates. After 2 days in culture, BACE2 inhibitor is added in a range of concentrations as required by the assay and after a further two hours, doxycycline i
7568	3	Inhibition Assay	Inhibition of cytochromes P450 (CYPs) 2C9, 2D6 and 3A4 was assessed using human liver microsomes and CYP-selective substrate metabolism reactions. 50 &mu;l incubations were made up containing (finally) 0.2 mg/ml pooled human liver microsomes, 5 &mu;M substrate (diclofenac for CYP2C9 [4' hydroxylase], dextromethorphan for CYP2D6 [O-demethylase] or midazolam for CYP3A4 [1' hydroxylase]), 0.25 &mu;l, DMSO containing test inhibitor and NADPH regenerating system. Test inhibitor concentrations of 50, 16.7, 5.6, 1.9, 0.6 and 0.2 &mu;M were assessed in singlicate. Incubations were prewarmed to 37&deg; C. for 10 minutes before initiation by addition of NADPH regenerating system. Incubations were quenched after 5 minutes (20 minutes for dextromethorphan) by addition of 50 &mu;l cold acetonitrile containing 20 ng/ml 4-OH-diclofenac-13C6, 20 ng/mL dextrorphan-D3 and 20 ng/mL 1-OH-midazolam-D4. Quenched incubates were stored at -20&deg; C. for at least 1 hour before centrifugation (20,000xg, 20 minutes). Supernatants were removed and diluted 1:1 with water prior to analysis using a RapidFire sample injector system and API4000 mass spectrometer.
7568	4	Fluorescent Substrate Kinetic Assay	A substrate peptide is labeled at the N-terminus with tryptophan and at the C-terminus with the fluorophore MR121 (for cathepsin D the 10 amino acid peptide WTSVLMAAPC-MR121 was used; for cathepsin E, MR121-CKLVFFAEDW was used). The fluorescent substrate cathepsin D and cathepsin E kinetic assays were performed at room temperature in 384-well microtiter plates (black with clear flat bottom, non binding surface plates from Corning) in a final volume of 51 ul. The test compounds were serially diluted in DMSO (15 concentrations, 1/3 dilution steps) and 1 ul of diluted compounds were mixed for 10 min with 40 ul of cathepsin D (from human liver, Calbiochem) diluted in assay buffer (100 mM sodium acetate, 0.05% BSA, pH 5.5; final concentration: 200 nM) or with 40 ul of recombinant human cathepsin E (R&D Systems) diluted in assay buffer (100 mM sodium acetate, 0.05% BSA, pH 4.5; final concentration: 0.01 nM). After addition of 10 ul of the cathepsin D substrate WTSVLMAAPC-MR121 diluted in cathepsin D assay buffer (final concentration: 300 nM) or 10 ul of the cathepsin E substrate MR121-CKLVFFAEDW diluted in cathepsin E assay buffer (final concentration: 300 nM), the plates were strongly shaken for 2 minutes. The enzymatic reaction was followed in a plate: vision reader (Perkin Elmer) (excitation wavelength: 630 nm; emission: 695 nm) for at least 30 minutes in a kinetic measurement detecting an increase of MR121 fluorescence during the reaction time.
7569	1	Inhibition Assay	The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods. (Hevel, J. M.; Marietta, M. A. Nitric-oxide synthase assays. Method Enzymol. 1994, 233, 250-258).
7570	1	Enzyme Inhibition Assay	The enzyme inhibitory activity of compound was determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). Recombinant, phosphorylated p38 MAPK &gamma; (MAPK12:Millipore) was diluted in HEPES buffer, mixed with compound at desired final concentrations and incubated for two hours at room temperature. The FRET peptide (2 &mu;M) and ATP (100 &mu;M) were next added to the enzyme/compound mixture and incubated for 1 hr. Development reagent (protease) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). The site-specific protease cleaves only non-phosphorylated peptide and eliminates the FRET signal. Phosphorylation levels of each reaction were calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor) with high ratios indicating high phosphorylation and low ratios, low phosphorylation levels. The percentage inhibition of each reaction was calculated relative to non-inhibited control, and the 50% inhibitory concentration (IC50 value) then calculated from the concentration-response curve.
7571	1	In Vitro Enzyme Assay	Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well plates, catalog #784075. Reaction buffer was 50 mM Tris, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% BSA and 1 mM DTT. 5 ul of 2×cRaf plus MEK1 were dispensed into plates containing 0.25 ul of compound in 100% DMSO and incubated at room temperature for 30 minutes. Reactions were started by addition of 5 ul of 2×ATP. Reactions were run for two hours and terminated by addition of 10 ul of 2× antibody and Alphascreen bead mixture in Stop Buffer. Stop Buffer was 50 mM Tris, pH 7.5, 0.005% Tween-20, 25 mM EDTA.
7572	1	In Vitro Assay: Intracellular Calcium Measurements 	In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 g/ml G418, 100 U/ml penicillin, 100 g/ml streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37&deg; C. in 5% CO2. Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH:water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 &mu;l of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/l, 5 mM probenecid (Sigma) and 3 M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37&deg; C. in 5% CO2 followed by equilibration at RT for 30 min before measurement.
7573	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &mu;L prepared from 15 &mu;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 45 &mu;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &mu;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &mu;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
7574	1	TdF (Temperature Dependence Fluorescence) Assay	The SAR (Structure Activity Relationship) for ERK ligands covered by this invention was interrogated using the TdF (Temperature Dependence Fluorescence) assay or best known as thermal shift assay. (M. W. Pantoliano, et al., "High-density miniaturized thermal shift assays as a general strategy for drug discovery," J. Biomol. Screen 6 (2001) 429-440) The TdF assay was mainly conducted in the 96-well based CHROMO-4 real time fluorescence plate reader (BioRad). The Sypro Orange (Sigma-Aldrich), environmentally sensitive fluorescence dye, was used to monitor the protein folding-unfolding transition. Protein-ligand binding was gauged by the change (or shift) in the unfolding transition temperature (&Delta;Tm) acquired at protein alone with respect to protein in the presence of ligand of interest.Compound of interest was first prepared in DMSO stock (typical concentration: 10 mM). Sample of 20 &mu;t was then added into the 96-well PCR plate, where it consisted of 3 &mu;M ERK protein and 15, 50 or 100 &mu;M compound (depending on compound's solubility) in buffer (25 mM HEPES, 150 mM NaCl, pH-7.5 and 1 mM DTT) incorporated with Sypro Orange dye (5x final concentration). Final percentage of DMSO resided in the sample was 2%. The sample plate was heated from 30&deg; C. to 90&deg; C. with thermal ramping rate of 1&deg; C./min.
7574	2	IMAP Assay	Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 &#956;l of 25× compound was added to 14 &#956;l of kinase buffer containing 0.25 ng fully phosphorylated, active Mouse ERK2 protein. Following a 30 minute incubation, the reactions were initiated by addition of 10 &#956;l of kinase buffer containing 1 &#956;M ERK2 IMAP substrate peptide (0.9 &#956;M unlabeled IPTTPITTTYFFFK-CONH2 and 100 nM IPTTPITTTYFFFK(5-carboxyfluorescein)-CONH2) and 30 &#956;M ATP. Reactions proceeded for 30 minutes before termination by addition of 600 IMAP detection beads in binding buffer. Plates were read as above after 30 minute binding equilibration. Active compounds were reconfirmed in an independent assay.
7575	1	Inhibition Assay	PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood were used as a source of PDE3 enzyme. 10 mL blood collected in a vacutainer tube (containing K3 EDTA) and centrifuged at 190xg for 15 min at room temperature. Top layer (platelet rich plasma) collected, centrifuged at 2500 g for 5 min at 22&deg; C. (Room temp.) The pellet was washed with 2 ml of 50 mM tris buffer (pH-7.4) containing 1 mM MgCl2 and centrifuged at 2500 g for 5 min. Then 200 &mu;l of assay buffer (from PDE kit, Enzo Life Sciences) was added to the pellet and sonicated at 30 s per ml. Pellet was freeze thawed for three times (-80&deg; C.) in order to rupture the platelet membrane and release the PDE enzyme. Then the cell homogenate was centrifuged at 2500 rpm for 5 min. Supernatant was collected and used as source for PDE3 enzyme. In 96 well plate (Prod. No. BML-KI101), we added supernatant having PDE3 enzyme, PDE3 assay buffer, cAMP substrate, 5' nucleotidase and test or standard compound and incubated for 1 hour at 37&deg; C. The reaction was arrested by the addition 100 &mu;l BIOMOL GREEN reagent incubated in room temp for 20 min.
7576	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove's modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &mu;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37&deg; C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for diluted in 384-well plates, first in DMSO, then assay buffer.
7577	1	IMAP technology (Molecular Devices)	A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 uM ATP, 1 mM DTT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25&deg; C., 60 ul of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030's FP is determined by a FP reader (Analyst HT, LJL BioSystems).
7578	1	In vitro MBP Phosphorylation Assay (MBP)	Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and WNK3), 0.01% Tween-20 (WNK1, WNK3 and WNK4) or 0.02% Tween-20 (WNK2), 1 mM TCEP, 2% DMSO, 1 uM ATP (WNK1, WNK3 and WNK4) or 2 uM ATP (WNK2), 1 uCi [gamma-33P]ATP (WNK1, WNK2, WNK4) or 0.25 uCi [gamma-33P]ATP (WNK3), WNK kinase enzyme (5 nM WNK1, 10 nM WNK2, 5 nM WNK3 or 10 nM WNK4) and compound at the desired concentration. The plate was sealed with a clear adhesive cover and mixed for 20 s at 800 r.p.m. on a bench top plate shaker. The plate was then placed in a 25 &deg;C shaking incubator at 175 r.p.m for 3 h (WNK1 and WNK4), 2 h (WNK3) or 1 h (WNK2). The kinase reaction was stopped by the addition of 50 ul of 45 mM EDTA, 0.01% Tween-20, and 20 mM HEPES, pH 7.3. The content of each well was then aspirated, and the well was washed three times with 300 ul of 150 mM NaCl, 0.02% Tween-20, and 50 mM Tris-HCl pH 7.4. Incorporation of 33P into the bound MBP substrate was measured using a MicroBeta TriLux LSC and Luminescence plate counter.
7578	2	In vitro OSR1 Phosphorylation Assay (OSR1)	0.2 nM GST-hWNK1(1-491) (Carna Biosciences, cat# 05-179); 3.5 ug/ml GST-OSR1; 20 mM HEPES; 0.01% Tween; 5 mM MnCl2; 1 mM TCEP; 2% DMSO; 0.5 uM ATP, pH 7.3 (total volume 40 ul) were incubated for 15 min at room temperature. Samples were 2168then mixed with Laemmli sample buffer and resolved on a 10% Tris-glycine gel, and transferred to nitrocellulose. Membranes were blocked in 5% non-fat milk dissolved in Tris-buffered saline with tween (TBST) for 30 min, washed 3x for 10 min in TBST and incubated with phospho-OSR1 antibody (1:1,000; see Reagents section) at 4 &deg;C overnight. Blots were again washed with TBST and incubated with HRP-conjugated anti-rabbit IgG (1:2,500; catalog # 7074, Cell Signaling) at room temperature for 30 min. Blots were again washed and developed with SuperSignal West Femto Maximum Sensitivity Chemiluminescent Substrate for HRP (Thermo Scientific), and quantified with a Fujifilm LAS-3000 Luminescent Image Analyzer.
7579	1	AChE and BuChE Inhibition Assay	This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Shimadzu (Kyoto, Japan) UV-1700 UV-vis spectrophotometer was used to record the measurements. The enzyme solutions were prepared at 2.5 units/mL concentrationin 1% gelatin solution. BChE/AChE and compound solutions (50 &mu;L each) in 2% DMSO at 10^-1-10^-6 mM concentration were added to 3 mL phosphate buffer (pH 8 &plusnm; 0.1)followed by incubation for 5 min at 25 &deg;C. The reaction was commenced by the addition of acetylthiocholine iodide (ATC) (10 &mu;L) and DTNB (50 &mu;L) to the enzyme-inhibitor mixture. The yellow anion production was measured at 412 nm for 10 min. Using similar method, same enzyme solution without the inhibitor was processed which served as a control. The blank reading contained 10 &mu;L substrate, 50 &mu;L DTNB, 50 &mu;L (2%) DMSO, and 3 mL buffer. The reaction was performed in triplicate.
7579	2	Monoamine Oxidase Assay	A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. Clin. Biochem. 1985, 18, 126.] was used to determine MAO-A and MAO-B activities. The substrate and mitochondrial fractions were incubated for 30 min at 38 &deg;C followed by the inhibition of one of the MAO isoforms with the particular inhibitor (L-deprenyl (10.5 mm) to determineMAO-A activity and clorgyline (10.5 mm) to determine MAO-B activity). Propylene glycol was used to dissolve the incubation mixture containing compounds at five different concentrations in the range of 0.5 nm to 0.1 m, specific substrate for MAO-A or MAO-B (0.1 mm), mitochondrial suspension (6 mg/mL), and 0.1 mL phosphate buffer (0.25 m, pH 7.4). In a shaking water bath, the mixture was incubated for 60 min at 37 &deg;C. Perchloric acid was added to quench the reaction. This was followed by the centrifugation of the samples at 10 000 g for 5 min followed by the collection of 2.7 mL supernatant using 1 N NaOH. Shimadzu RF-6000 Spectrofluorimeter was used to record the measurements.
7580	1	Fluorescence-Based APE1 Endonuclease Activity Assay	In this assay, the complementary single-stranded oligonucleotides at 100 m were mixed at a 1:1 ratio and annealed in assay buffer (50 mm Tris pH 7.5, 25 mm NaCl, 2 mm MgCl2, 1 mm DTT, 0.01% Tween-20) at 95 &deg;C for 5 min to generatethe double-stranded substrate of APE1.[A. Simeonov, A. Kulkarni, D. Dorjsuren, A. Jadhav, M. Shen, D. R. McNeill, C. P. Austin, D. M. Wilson 3rd, PLoS ONE 2009, 4, p. e5740.] After the annealing, the reaction mixture was allowed to cool to room temperature. The assay was carried out in 96-well black plates with flat bottom (Costar, Corning Inc., NY, USA) at a finalreaction volume of 100 &mu;L. The reaction mixtures containing 2.5 U of human recombinant APE1 (6 &mu;L) (New England Biolabs, Ipswich, MA, USA) were incubated in the assay buffer abovementioned, in the absence or presence of the putative APE1 inhibitors (5 &mu;L), at room temperature for 15 min. The reaction was initiated by the addition of double-stranded substrate (6 &mu;L) to obtain the final concentration of 250 nm. DMSO was maintained at a concentration of 0.5% (v/v) in all assays (negative control). Fluorescence readings were acquired at 1-min intervals over an incubation period of 30 min at 37 &deg;C using a SpectraMax Gemini EM microplate plate reader (Molecular Devices, Berkshire, UK) in the kinetic mode at excitation wavelength 550 nm, emission wavelength 584 nm, and cutoff at 570 nm.
7581	2	Complement FD Thioesterolysis Assay	Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room temperature in 0.1 M Hepes buffer (pH 7.5) containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. The substrate Z-Lys-thiobenzyl (Bachem, Bubendorf, Switzerland) and2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein were added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence was recorded at an excitation wavelength of 485 nm and an emission wavelength of 535 nm in a microplate spectrofluorimeter.
7581	3	Human FD Proteolysis Assay (ELISA Ba)	Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) containing 7.5 mM MgCl2 and 0.075% (w/v) CHAPS. The preformed CVF-human-FB-substrate complex was added to a final concentration of 200 nM. After 1 h incubation time at room temperature, the enzyme reaction was stopped by addition of a 0.1 M Na2CO3 buffer solution (pH 9.0) containing 0.15 M NaCl and 40 mM EDTA. Generation of Ba as the enzymatic cleavage product was quantified by an enzyme-linked-immunosorbent assay (ELISA). Aliquots of reaction samples were pipetted into 384-well high-capacity protein-binding plates (NUNC MaxiSorp) pre-filled with 96 &mu;L/well of coating buffer. After an overnight incubation at 4 &deg;C, assay plates were washed with PBS-Tween 20. Remaining free binding capacity was saturated by the addition of Starting Block T20 for 5 min at room temperature, and assay plates were then washed with PBS-Tween 20. Anti Ba neoepitope antibody was added to each well, followed by incubation for 60 min at room temperature and removal of excess antibody by washing with PBS-Tween 20. Then, goat anti-rabbit antibody labeled with HRP (172-1019; Bio-Rad) (1 &mu;g/well in PBS-Tween 20) was incubated for 60 min at room temperature as in the former step, and excess antibodies was removed by extensive washing with PBS-Tween 20. HRP activity was measured after 20 min incubation time with QuantaBlu fluorogenic peroxidase substrate (100 &mu;L) at room temperature.
7581	4	Human FB Proteolysis Assay (ELISA C3a)	Human CVF-Bb complex (3 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in PBS at pH 7.4, containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. The enzyme reaction was started by addition of C3 diluted in the assay buffer to a final concentration of 1 &mu;M. After 1 h incubation time at room temperature, the enzyme reaction was stopped by addition of an excess of various enzyme inhibitors (Roche, cOmplete Inhibitor Tablets). Generation of C3a as the enzymatic cleavage product was quantified by an enzyme-linked immunosorbent assay (ELISA). Aliquots of reaction samples were pipetted into 384-well high-capacity protein-binding plates (NUNC MaxiSorp) pre-filled with 97 &mu;L/well of coating buffer. After an overnight incubation at 4 &deg;C, assay plates were washed with PBS-Tween 20. Remaining free binding capacity was saturated by the addition of Starting Block T20 for 5 min at room temperature, and assay plates were then washed with PBS-Tween 20. Anti-C3a neoepitope antibody was added to each well, followed by incubation for 60 min at room temperature.
7581	1	Human KLK7 Fluorescence-Lifetime Assay	Recombinant human KLK7 (5 nM concentration) was pre-incubated with inhibitor at various concentrations for 1 h at room temperature in 50 mM sodium citrate buffer at pH 5.6, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzyme reaction was initiated by addition of the substrate Ac-Glu-Phe-Lys-Pro-Ile-Leu-Trp-Arg-Leu-Gly-Cys(PT14)-Glu-NH2 (0.8 &#956;M; Biosyntan, Berlin, Germany, product BS-#7599). Fluorescence-lifetime measurements were conducted on an Ultra Evolution fluorescence lifetime reader (TECAN, M nnedorf, Switzerland). The excitation light source was a semiconductor laser at 405 nm, producing picosecond light pulses with a selected repetition frequency of 10 MHz. The emission was collected through a 450 nm bandpass filter with 25 nm bandwidth. The measurement time per well was set to 1 s, yielding approximately 1,000 counts in the peak channel. The parameters used as assay readout were the mono-exponential lifetimes.
7581	6	SPR Binding Affinity Assay (Single Cycle)	Single cycle kinetics (SCK): five increasing concentrations were injected successively without allowing for the dissociation of the protein-ligand complex. SPR experiments were performed at 25 &deg;C using a Biacore T200 instrument (GE Healthcare). PBS (pH 7.4) supplemented with 0.05% Tween 20 was used as running buffer. Human FD and FB were immobilized covalently to a Series S Sensor Chip CM5 (GE Healthcare) at a flow rate of 10 &mu;L/min using an amine-coupling protocol. Reagents for the immobilization were purchased from GE Healthcare (Amine Coupling Kit; BR-1000-50). The sensor-chip surface was activated by a 5 min injection of a 1:1 (v/v) mixture of a 100 mM N-hydroxysuccinimide (NHS) solution and a 390 mM 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) hydrochloride salt solution in water. Both proteins were diluted to0.05 mg/mL in 20 mM HEPES pH 6.0 for immobilization onto different flow cells of the chip. After a 5 min injection of the protein, remaining reactive groups were deactivated by injecting a 1 M ethanolamine hydrochloride solution in aqueous NaOH (pH 8.5) for 5 min. Different chips were used with immobilization levels ranging between 3,000 and 5,000 response units (RU). To determine kinetic parameters for the binding of compound 6 to human FD and FB, several independent experiments were run. Threefold serial dilutions of compound 6 were prepared ranging from 0.4 to 900 nM. Each solution was injected for 60 s at a flow rate of 30 to 60 &mu;L/min with a dissociation time of at least 1,200 s (parameters identical within one experiment).
7581	5	SPR Binding Affinity Assay (Standard)	Standard kinetics: an independent association-dissociation cycle was run for each concentration by injecting compound solution and waiting for dissociation before the injection of the following concentration. SPR experiments were performed at 25 &deg;C using a Biacore T200 instrument (GE Healthcare). PBS (pH 7.4) supplemented with 0.05% Tween 20 was used as running buffer. Human FD and FB were immobilized covalently to a Series S Sensor Chip CM5 (GE Healthcare) at a flow rate of 10 &mu;L/min using an amine-coupling protocol. Reagents for the immobilization were purchased from GE Healthcare (Amine Coupling Kit; BR-1000-50). The sensor-chip surface was activated by a 5 min injection of a 1:1 (v/v) mixture of a 100 mM N-hydroxysuccinimide (NHS) solution and a 390 mM 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) hydrochloride salt solution in water. Both proteins were diluted to0.05 mg/mL in 20 mM HEPES pH 6.0 for immobilization onto different flow cells of the chip. After a 5 min injection of the protein, remaining reactive groups were deactivated by injecting a 1 M ethanolamine hydrochloride solution in aqueous NaOH (pH 8.5) for 5 min. Different chips were used with immobilization levels ranging between 3,000 and 5,000 response units (RU). To determine kinetic parameters for the binding of compound 6 to human FD and FB, several independent experiments were run. Threefold serial dilutions of compound 6 were prepared ranging from 0.4 to 900 nM. Each solution was injected for 60 s at a flow rate of 30 to 60 &mu;L/min with a dissociation time of at least 1,200 s (parameters identical within one experiment).
7582	1	TR-FRET Binding A	Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 10 uM compound concentration. The assay was performed in 384-well LV plates (Matrix 4365, Thermo Scientific) and run in the presence and absence of the compound of interest. Each well of 12 uL assay mixture contained 10 mM Tris (pH 7.4), 1 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, 3 nM GST-Mcl-1, 1 nM LanthaScreen Eu-tagged GST antibody (#PV5594, Invitrogen, Life Technologies), and 8 nM fluorescently labeled peptide. Reactions were incubated at 24 &deg;C for 60 min before reading on a Tecan F500 spectrofluorometer with excitation at 340 nm and emission at 620 nm and 665 nm. Subsequently, the ratio of fluorescence emission intensity at 665 nm to 620 nm was calculated for each reaction, and the dose response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameters to derive IC50 values for each testing compound.
7583	1	Fluorescence Resonance Energy Transfer (FRET) Assay	Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were performed by reference to the procedure as described in Ermolieff, et al. (Biochemistry 39:12450-12456 (2000), the teachings of which are incorporated hereby in their entirety). Briefly, the recombinant protease unit of BACE1 was prepared from E. coli expression as inclusion bodies, refolded, and purified as described in Lin, et al., (Proc. Nat. Acad. Sci. 97:1456-1460 (2000)). Fluorogenic substrate, MCA-SEVNLDAEFK(DNP)-NH2 (SEQ ID NO:1) was purchased. (M-2485, Bachem Americas, Torrance, Calif.). The substrate was derived from 10 amino acids of the human amyloid precursor protein (APP), with the Swedish variant amino acids at the beta-secretase cleavage site. The terminal amino acid was modified from arginine to lysine to facilitate derivatization with a functional group for detection by autofluorescence. The amino acid sequence of the "core" peptide of the substrate is SEVNLDAEFK (SEQ ID NO:2). The amino terminus was derivatized with (7-methoxycoumarin-4-yl)acetyl (MCA), and the epsilon amine of the lysine side chain of the terminal residue (K in sequence SEVNLDAEFK (SEQ ID NO:2)) was derivatized with 2,4-dinitrophenyl (DNP). Assays were performed in a buffer of 0.1 M sodium acetate, pH 4.4, 0.08% 3-[(3-Cholamidopropyl)dimethylammonio]propanesulfonate (CHAPS), 0.005% Tween80. BACE1 enzyme (final concentration 65 nM) was pre-incubated with test compounds for 15 minutes at room temperature. Fluorescence intensities were measured 60 minutes after addition of the substrate (final concentration 3 uM) by Tecan Safire2.
7583	2	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Test Example 2: Potency of compounds were also measured using another fluorogenic substrate, TruPoint BACE1 Substrate Eu-CEVNLDAEFK-QSY 7 (SEQ ID NO:3) (AD0258, PerkinElmer, Boston Mass.). This substrate also has Swedish variant amino acids at the &#946;-secretase cleavage site, with a fluorescent europium (Eu) chelate coupled to one end and a quencher of europium fluorescence (QSY7) coupled to the other end via lysine. If the sample contains BACE1 activity, the Eu chelate and the quencher will be separated as the substrate is cleaved. 
7583	3	Cellular Assay of A&beta; Production	Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of A&beta; production. Human SK-N-BE(2) neuroblastoma cells (ATCC No. CRL-2271) were plated at 96,000 cells/well/100 uL in 96-well plates in RPMI1640 medium/10% fetal bovine serum (FBS)/penicillin-streptomycin and cultured for 24 hours at 37&deg; C., 5% CO2. Test compounds were dissolved in dimethyl sulfoxide and diluted with dimethyl sulfoxide and put into RPMI1640/5% FBS/penicillin-streptomycin media (final dimethyl sulfoxide concentration is 0.5%). The culture media in 96-well plates were replaced by 125 uL/well of the media containing test compounds. After incubation for 6 hours at 37&deg; C., 5% CO2, 30 uL of the media were transferred into a fresh 96-well plate and used for A&beta;40 assay by an enzyme-linked immunosorbent assay (ELISA) kit (#27718, Immuno-Biological Laboratories, Japan) according to the manufacturer's protocol. Cell viability was measured by CellTiter-Glo Luminescent Cell Viability Assay (#7571, Promega) after removal of 30 uL of the media for the A&beta; assay.
7583	4	Inhibition Assay	Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an automated planar patch-clamp system QPatch HTX (Sophion Bioscience A/S). The application of pressure for forming gigaseals and whole-cell patch clamp configuration were established using the QPatch assay software. Patch-clamp experiments were performed in voltage-clamp mode and whole-cell currents were recorded. The following stimulation protocol was applied to investigate the effects of compounds on hERG potassium channel. The test solution includes:Extracellular solution: 2 mM of CaCl2, 1 mM of MgCl2, 10 mM of HEPES, 4 mM of KCl, 145 mM of NaCl, and 10 mM of glucose; and pH adjusted to 7.4 with NaOH,Intracellular solution: 5.374 mM of CaCl2, 1.75 mM of MgCl2, 10 mM of HEPES, 10 mM of EGTA, 120 mM of KCl, and 4 mM of ATP, and pH adjusted to 7.2 with KOH.
7585	1	Inhibition Assay	To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present invention, a radiolabeled nucleotide incorporation assay was used. This assay is a modified version of the assay described in International Publication No. WO2002/057287. Briefly, 50 uL reactions containing 20 mM HEPES (pH 7.3); 7.5 mM DTT; 20 units/ml RNasIN; 1 uM each of ATP, GTP, UTP and CTP; 20 uCi/mL [33P]-CTP; 10 mM MgCl; 60 mM NaCl; 100 ug/ml BSA; 0.021 uM DCoH heteropolymer RNA template; and 5 nM NS5B (1b-BK&Delta;55) enzyme were incubated at room temperature for 1 hour. The assay was then terminated by the addition of 500 mM EDTA (50 uL). The reaction mixture was transferred to a Millipore DE81 filter plate and the incorporation of labeled CTP is determined using Packard TopCount. Compound IC50 values can then be calculated from experiments with 10 serial 3-fold dilutions of the inhibitor in duplicate. The intrinsic potency (Ki) of an NTP inhibitor is derived from its NS5B IC50 using the Cheng-Prusoff equation for a competitive inhibitor, as described in Cheng et al., Biochem Pharmacol 22:3099-3108 (1973): Ki=IC50/(1+[S]/Km), where [S]=1 uM, and Km is the concentration of cognate NTP yielding half-maximal enzyme activity in the assay absent exogenous inhibitors.
7586	1	Kinase Assay (New)	Compound potency against activated ERK2 is determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide peptide substrate ([Biotin]-AHA-K-R-E-L-V-E-P-L-T-P-S-G-E-A-P-N-Q-A-L-L-R-[NH2], the peptide sequence derived from EGF receptor: SEQ ID NO:1). The assay is carried out in 50 mM HEPES [pH 7.5], 5 mM MgCl2, 1 mM DTT, 0.01% Tween-20, 0.05% BSA using 0.25 nM ERK2, 200 nM ERKtide peptide and 35 uM ATP (all concentrations are final in the reaction) in a total volume of 10.25 uL. A 16-point, half-log dilution series of compounds at 41x final concentration is used for generating IC50 curves. Compound dilution series are prepared in 100% DMSO. ERK2 is preincubated with compounds for 30 minutes at ambient temperature. Reaction is initiated by addition of a substrate cocktail of ERKtide peptide and ATP and is allowed to proceed for 2-3 hours at ambient temperature. Reaction is terminated by addition of 10 uL of a 2x stop buffer consisting of 100 mM Tris-Cl [pH 7.5], 25 mM EDTA, 0.01% Tween 20, 10 ug/mL of AlphaScreen Protein A Acceptor Beads, 10 ug/mL of Streptavidin Donor Beads (PerkinElmer, Waltham, Mass.), and 1.4 ug/mL phospho-EGF Receptor (Thr669) antibody (Cat #3056, Cell Signaling Technology, Danvers, Mass.). Terminated reactions are read, after overnight incubation in the dark, on an EnVision Multilabel Plate Reader (PerkinElmer, Waltham, Mass.), with excitation and emission wavelengths set to 680 nm and 570 nm, respectively. IC50 values are determined using a four-parameter fit.
7586	2	ERK2 (20 pM) Kinase Assay	Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide peptide substrate ([Biotin]-AHA-K-R-E-L-V-E-P-L-T-P-S-G-E-A-P-N-Q-A-L-L-R-[NH2], the peptide sequence derived from EGF receptor: SEQ ID NO:1). The assay was carried out in 20 mM HEPES [pH 7.5], 5 mM MgCl2, 1 mM DTT, 0.01% Tween-20, 0.05% BSA using 0.02 nM ERK2, 400 nM ERKtide peptide and 35 uM ATP (all concentrations are final in the reaction) in a total volume of 10.25 uL. A 16-point, half-log dilution series of compounds at 41x final concentration was used for generating IC50 curves. Compound dilution series were prepared in 100% DMSO. ERK2 was preincubated with compounds for 30 minutes at ambient temperature. Reaction was initiated by addition of a substrate cocktail of ERKtide peptide and ATP and was allowed to proceed for 4 hours at ambient temperature. Reaction was terminated by addition of 10 uL of a 2x stop buffer consisting of 100 mM Tris-Cl [pH 7.5], 25 mM EDTA, 0.01% Tween 20, 20 ug/mL of AlphaScreen Protein A Acceptor Beads, 20 ug/mL of Streptavidin Donor Beads (PerkinElmer, Waltham, Mass.), and 1:1000 dilution phospho-EGF Receptor (Thr669) antibody (Cat #8808, Cell Signaling Technology, Danvers, Mass.). Terminated reactions were read, after overnight incubation in the dark, on an EnVision Multilabel Plate Reader (PerkinElmer, Waltham, Mass.), with excitation and emission wavelengths set to 680 nm and 570 nm, respectively. IC50 values were determined using a four-parameter fit.
7586	3	AlphaScreen Assay	Compound potency against activated ERK2 is determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide peptide substrate ([Biotin]-AHA-K-R-E-L-V-E-P-L-T-P-S-G-E-A-P-N-Q-A-L-L-R-[NH2], the peptide sequence derived from EGF receptor: SEQ ID NO:1). The assay is carried out in 50 mM HEPES [pH 7.5], 5 mM MgCl2, 1 mM DTT, 0.01% Tween-20, 0.05% BSA using 0.25 nM ERK2, 200 nM ERKtide peptide and 35 uM ATP (all concentrations are final in the reaction) in a total volume of 10.25 uL. A 16-point, half-log dilution series of compounds at 41x final concentration is used for generating IC50 curves. Compound dilution series are prepared in 100% DMSO. ERK2 is preincubated with compounds for 30 minutes at ambient temperature. Reaction is initiated by addition of a substrate cocktail of ERKtide peptide and ATP and is allowed to proceed for 2-3 hours at ambient temperature. Reaction is terminated by addition of 10 uL of a 2x stop buffer consisting of 100 mM Tris-Cl [pH 7.5], 25 mM EDTA, 0.01% Tween 20, 10 ug/mL of AlphaScreen Protein A Acceptor Beads, 10 ug/mL of Streptavidin Donor Beads (PerkinElmer, Waltham, Mass.), and 1.4 ug/mL phospho-EGF Receptor (Thr669) antibody (Cat #3056, Cell Signaling Technology, Danvers, Mass.).
7587	1	Inhbition Assay	To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays were performed in a 96-well plate formate for manual operation, or a 384-well plate format for automated assay. Replicon cells and compound were incubated for 96 hours. At the end of the assay, cells were washed free of media and compound, and the cells were then lysed. RNA was quantified indirectly through detection of replicon-encoded NS3/4A protein levels, through an ELISA-based assay with an antibody specific for NS3/4A.
7588	1	Inhibition Assay	To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays were performed in a 96-well plate formate for manual operation, or a 384-well plate format for automated assay. Replicon cells and compound were incubated for 96 hours. At the end of the assay, cells were washed free of media and compound, and the cells were then lysed. RNA was quantified indirectly through detection of replicon-encoded NS3/4A protein levels, through an ELISA-based assay with an antibody specific for NS3/4A.
7584	1	LanthaScreen Kinase Assay	TrkA-inhibiting activity was measured according to the following method using LanthaScreen kinase assay reagents (Invitrogen; Fluorescein-Poly GT, LanthaScreen Tb-PY20 and TR-FRET Dilution Buffer), TrkA (Invitrogen), ATP (Sigma-Aldrich), a kinase reaction buffer (50 mM HEPES buffer (Sigma-Aldrich) (pH 7.5) containing 0.01% Brij35 (Sigma-Aldrich), 10 mM MgCl2 (Sigma-Aldrich) and 1 mM EGTA (Sigma-Aldrich)) and 0.5 M EDTA (pH 8.0) (Invitrogen).The present compound was dissolved in dimethylsulfoxide (hereinafter abbreviated as DMSO) to prepare a 10 mM solution. The test compound at 10 mM was distributed into a 96-well plate and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions (DMSO solutions) were diluted with the kinase reaction buffer to 20-fold to prepare solutions of the present compound with 5-times concentrations (DMSO concentration: 5%). TrkA was diluted with the kinase reaction buffer to prepare a solution at 38.5 ng/mL (enzyme solution). Adenosine 
7584	2	Inhibition Assay	TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 cells, Invitrogen).On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 ug/mL streptomycin (Invitrogen)) and plated at a density of 2.4x104 cells/40 uL/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 uL/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-times concentration (DMSO concentration: 1%).
155	1	Radioligand Binding Assay	Plasma membranes prepared from HEK 293 EBNA cells transfected with human CB1 or CB2 cannabinoid receptors (3.7 or 3.3 pmol/mg protein, receptor concentration; PerkinElmer) were used for the radioligand binding studies. The composition of incubation buffer for CB1 assay was 50 mM Tris base, 2.5 mM EDTA, 5 mM MgCl2 and 0.5 mg/ml fatty acid free BSA and for CB2 assay was 50 mM Tris base, 2.5 mM EGTA, 5 mM MgCl2 and 1 mg/ml fatty acid free BSA; pH was adjusted to 7.4 by adding 1N HCl. Plasma membranes were diluted with incubation buffer to provide a final protein concentration of 2.4 &#956;g (CB1) or 8 &#956;g (CB2) per well in non-binding surface polystyrene 96-well assay plates (Corning). Compound solutions were prepared in silanized glass tubes and dispensed using pipette tips with SUPERSLIK surface. Competition studies were performed using a final concentration of 0.72 nM [3H]-CP 55,940 (100-180 Ci/mmol, specific activity; PerkinElmer) against test compounds. Non-specific binding was determined using 10 uM of unlabeled CP 55,940. Incubations were performed in 96-well assay plates at a final volume of 200 ul for 90 min (CB1) or 60 min (CB2) at room temperature. Binding reactions were terminated by the addition of ice-cold incubation buffer and rapid filtration through a glass fiber filter using a cell harvester (Inotech). This was followed by 8 additional washes. The glass fiber filter (0.26 mm thickness, 1-1.5 um retention; Inotech) was presoaked in cold incubation buffer containing 0.05% polyethylenimine. The filters were oven-dried at 50° C. for 60 min and counting performed using a Beckman Coulter LS 6500 Multi-Purpose Scintillation Counter (Beckman-Coulter). Binding was determined in duplicate for at least 4 separate experiments.
191	1	FLIPR Ca2+ Flux Assay	The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined without undue experimentation by methodology well known in the art, including the FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
191	2	Radioligand binding assay	Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
7590	1	TGM2 Inhibitory Activity Assay	2 ul of a solution of different concentrations of the test compound in dimethyl sulfoxide was added to 28 ul of buffer (50 mM TRIS, 100 mM NaCl, 10 mM CaCl2, pH 7.5) and 10 ul of a TGM2 solution to give a TMG2 test concentration of 25 ug/ml, and the mixture incubated for 15 minutes at room temperature in a 96 half-well microtiter plate. The enzyme reaction was started by the addition of 10 ul of substrate solution containing H-Abz-APE(CAD-DNP)QEA-OH and glycine methyl ester hydrochloride in buffer to give test concentrations of H-Abz-APE(CAD-DNP)QEA-OH of 50 uM and of glycine methyl ester hydrochloride of 5 mM. The time course of the reaction was monitored with excitation at 318 nm and measurement at emission wavelength 418 nm in a microtiter plate reader (SpectraMax M5, Molecular Devices) over 15 minutes. Rates were calculated from the linear part of the curve (generally between 5 and 10 minutes). IC50 values were calculated from the means (duplicates) of a dilution series of the com
7591	1	Enolase Enzymatic Assays	Enolase activity was measured by two different methods: a fluorometric NADH-linked assay or adirect spectrophotometric assay via formation of PEP. In the fluorescent assay,enolase activity was measured via NADH oxidation in a pyruvate kinase-dehydrogenase coupled assay. The assay is conducted in 10 mM KCl, 5 mM MgSO4, and 100 mM triethanolamine at pH 7.4, with 400 uM NADH and 2 mM ADP. 2-PGA, pyruvate kinase (PK) and lactate dehydrogenase(LDH) are provided in excess, with conversion of 2-PGA to PEP by enolase being rate limiting. PEP (with ADP) is substrate of PK; pyruvate formed by thisreaction is linked to NADH oxidation by LDH. Enolase activity is determinedby fluorescence measurement of oxidation of NADH by excitation at 340 nmand emission at 460 nm. The substrate concentration was 5 mM 2-PGA unlessotherwise indicated. Fluorescence was measured using an Omega FluorescencePlate Reader (BMG Labtech). Alternatively, enolase activity was measured directly by the appearance of PEP from 2-PGA via absorption at 240 nm. The assay medium was the same, except that all the auxiliary reagents (PK or LDH, NADH and ADP) are omitted. Both assays were conducted in a 96-well plate format, with the direct assay performed in UV-transmissible plates.
196	1	FRET Assay	An HDM2 FRET assay was developed to assess the compounds&#39; inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with residues 17 to 125 (containing p53 binding surface, Science (1994) 265, 346-355), with N-terminal His and Thioredoxin tag was generated in pET32a expression vector and expressed in E. coli strain BL21(DE3)Rosetta. Protein was purified using Ni-affinity chromatography, followed by size exclusion chromatography using Superdex 75 26/60 column. To assess inhibition of p53 binding to HDM2, a FITC labeled 8-mer peptide (sequence: Ac-Phe-Arg-Dpr-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2; Anal Biochem. 2004 Aug. 1; 331(1):138-46) with strong affinity towards p53 binding pocket of HDM2 was used. The HDM2 assay buffer contained 1× Phosphate Buffered Saline (Invitrogen, Cat#14190), 0.01% BSA (Jackson ImmunoResearch, Cat#001-000-162), 0.01% Tween-20. In the 1× assay buffer recombinant HDM2 protein, peptide and Lumi4-Tb Cryptate-conjugate mouse anti-6×His antibody (cisbio, Cat# Tb61HISTLB) were added and transferred to ProxiPlate PLUS (PerkinElmer, Cat#6008269), containing compounds so that final DMSO concentration is 0.1%. Final concentrations of reagents in the assay wells are 0.5 nM HDM2, 0.25 nM anti HIS (Tb label) antibody and 3 nM peptide. After two hour incubation at room temperature in a humidified chamber plates were read on EnVision plate reader with the following settings: excitation: UV, 340 nM, two emission filters: 520 nm and 495 nm respectively. Ratio of em520/em495 was used to calculate % inhibition and to obtain IC50 with 4-parameter logistic equation.
7593	1	Fluorescence Polarization Assay	Bcl-xL and Bcl-2 FP binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-c) may be determined using a variety of known methods. One such assay is a sensitive and quantitative in vitro binding assay using fluorescence polarization ("FP") described by Wang, J.-L.; Zhang, Z-J.; Choksi, S.; Sjam. S.; Lu, Z.; Croce, C. M.; Alnemri, E. S.; Komgold, R.; Huang, Z. Cell permeable Bcl-2 binding peptides: a chemical approach to apoptosis induction in tumor cells. Cancer Res. 2000, 60, 1498-1502). Additionally, the binding affinity of compound(s) of Formulae (I), (I-a), (I-b), (I-c), (I-d) and/or (I-e) to Bcl-2 protein in vitro was determined by a competitive binding assay based on fluorescence polarization. For example, fluorescence polarization ("FP")assays may be developed using a c-terminal 6XHIS tagged Bcl-2 (aa 1-204) and a C-terminal 6XHIS tagged Bcl-XL (aa 1-209). The tracer may be a synthetic peptide BH-3 peptide Bim conjugated to Fluorescein isothiocyanate (FITC-DLRPEIRIAQELRRIGDEFNETYTRR). Dilutions of either Bcl-2 (1.3 nM) or Bcl-XL (0.8 nM) may be added to serial dilutions of antagonist and incubated for one hour prior to the addition of 2 nM of fluorescent peptide tracer (Anaspec, Fremont, Calif.) in the assay buffer. Final assay buffer conditions may be 20 mM HEPES, pH 7.5, 1 mM DTT, 0.005% Tween-20 and 50 mM NaCl. Samples may be read after 20-minute incubation. Fluorescence polarization values may be plotted as a function of the antagonist concentration.
7594	1	Cellular Functional Assay	Human CHO cells expressing the recombinant human prostanoid EP2 receptor were suspended in assay medium (HBSS buffer (Invitrogen) containing 20 mM HEPES (pH7.4) and 500 &#956;M isobutyl-methylxanthine IBMX) and plated out to yield approximately 1×104 cells/well in a 96-well. Following this, cells were incubated with agonists for 30 min in the presence of the test compounds. For stimulated control measurements, separate assay wells contain 10 &#956;M PGE2 (control specific agonist). All incubations were carried out at 37° C. in a 5% CO2 atmosphere. Following incubation, the amount of cAMP in each well was determined by HTRF method. The cells are lysed and the fluorescence acceptor (D2-labeled cAMP) and fluorescence donor (anti-cAMP antibody labeled with europium cryptate) are added. 
7594	2	Receptor Binding Assay	The competition reaction was initiated by incubation of membrane protein homogenate (20 &#956;g protein) for 120 min at 22° C. with 0.5 nM [3H]PGE2 ligand in the absence or presence of the test compound in a buffer containing 10 mM MES/KOH (pH 6.0), 10 mM MgCl2 and 1 mM EDTA.Non-specific binding was determined in the presence of 10 &#956;M PGE2 (the corresponding non-radioactive prostanoid). Affinity of the compound binding to hEP4 receptor was measured by displacement of the radiolabeled ligand in the presence of varying doses of tested compound.Incubations were terminated by rapid filtration under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and washed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). 
7595	1	Enzyme Assay	The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 uL of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 2 ul of a DMSO solution containing compound of interest. Conditioned media obtained from HT-1080 cells, which were transformed by RAGE technology (Athersys) to overexpress endogenous EL, was added and the reaction was allowed to incubate for 20 min at 37&deg; C. with gentle agitation. The reaction was started by the addition of 20 uL of a 1:4 dilution of vesicles. The final total reaction volume was 100 uL. The reaction rates were measured on a Gemini plate reader with an excitation wavelength of 488 nm and a emission of 530 nm. Readings were taken every 20 seconds for 10 min with agitation between each reading.
7596	1	TBK1 Enzyme Assay	The kinase assay is performed as 384-well Flashplate assay assay (for e.g. Topcount measurement. 0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (Biotin-Ah-Ah-AKPKGNKDYHLQTCCGSLAYRRR) SEQ ID NO: 2 and 10 &mu;M ATP (spiked with 0.25 &mu;Ci 33P-ATP/well) are incubated in a total volume of 50 &mu;l (10 mM MOPS, 10 mM Mg-acetat, 0.1 mM EGTA, 1 mM DTT, 0.02% Brij35, 0.1% BSA, pH 7.5) with or without test compound for 120 Min at 30&deg; C. The reaction is stopped with 25 &mu;l 200 mM EDTA. After 30 Min at room temperature the liquid is removed and each well washed thrice with 100 &mu;l 0.9% sodium chloride solution. Nonspecific reaction is determined in presence of 100 nM Staurosporine. Radioactivity is measured in a Topcount (PerkinElmer).
7596	2	IKK&epsilon; Kinase Assay	The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKK&epsilon;, 800 nM biotinylated I&kappa;B&alpha;(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) SEQ ID NO: 1 and 10 uM ATP (spiked with 0.3 uCi 33P-ATP/well) are incubated in a total volume of 50 ul (10 mM MOPS, 10 mM Mg-acetat, 0.1 mM EGTA, 1 mM Dithiothreitol, 0.02% Brij35, 0.1% BSA, 0.1% BioStab, pH 7.5) with or without test compound for 2 hours at 30&deg; C. The reaction is stopped with 25 ul 200 mM EDTA. After 30 Min at room temperature the liquid is removed and each well washed thrice with 100 ul 0.9% sodium chloride solution. Non-specific reaction is determined in presence of 3 uM MSC2119074 (BX-795). Radioactivity is measured with Topcount (PerkinElmer).
7597	1	Biochemical Btk Assay	A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus Btk enzyme is prepared containing 1x Cell Signaling kinase buffer (25 mM Tris-HCl, pH 7.5, 5 mM beta-glycerophosphate, 2 mM dithiothreitol, 0.1 mM Na3VO4, 10 mM MgCl2), 0.5 &mu;M Promega PTK Biotinylated peptide substrate 2, and 0.01% BSA. A master mix plus Btk enzyme is prepared containing 1x Cell Signaling kinase buffer, 0.5 &mu;M PTK Biotinylated peptide substrate 2, 0.01% BSA, and 100 ng/well (0.06 mU/well) Btk enzyme. Btk enzyme is prepared as follows: full length human wildtype Btk (accession number NM-000061) with a C-terminal V5 and 6xHis tag was subcloned into pFastBac vector for making baculovirus carrying this epitope-tagged Btk.
7598	1	p38 MAPK&alpha; Enzyme Inhibition Assay	The inhibitory activities of test compounds against the p38 MAPK&alpha; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&dlpha; protein (80 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL of either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL or 0.004 ug/mL) for 2 hr at RT. The mix solution (2.5 uL) of the p38&dlpha; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 uM; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 uM, 2.5 uL). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
7598	2	c-Src and Syk Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 uL) is incubated with the test compound (either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL, 2.5 uL each) for 2 hr at RT. The FRET peptides (8 uM, 2.5 uL), and appropriate ATP solutions (2.5 uL, 800 uM for c-Src, and 60 uM ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
220	1	LSD1 Histone Demethylase Assay	The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chemical Item Number 700120). Briefly, test compounds were diluted to 20× the desired test concentration in 100% DMSO and 2.5 &#956;L of the diluted drug sample was added to a black 384-well plate. The LSD1 enzyme stock was diluted 17-fold with assay buffer and 40 &#956;M of the diluted LSD1 enzyme was added to the appropriate wells. The reaction mixture comprised horseradish peroxidase, dimethyl K4 peptide (corresponding to the first 21 amino acids of the N-terminal tail of histone H3), and 10-acetyl-3,7-dihydroxyphenoxazine was then added to wells. Generation of resorufin (generated by reacting with H2O2 produced in the reaction) was analyzed on an Envision microplate reader with an excitation wavelength of 530 nm and an emission wavelength of 595 nm.
7598	3	GSK 3&alpha; Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against the GSK 3&alpha; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&alpha; protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3&alpha;, and ATP (40 uM, 2.5 uL) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
7599	1	PDE3 Inhibition Assay	PDE3 inhibition assay was performed a BIOMOL GREEN Quantizyme Assay System (catalogue No. BML-AK800-0001). The Platelets isolated from human blood were used as a source of PDE3 enzyme. 10 mL blood collected in a vacutainer tube (containing K3 EDTA) and centrifuged at 190xg for 15 min at room temperature. Top layer (platelet rich plasma) collected, centrifuged at 2500g for 5 min at 22&deg; C. (Room temp.) The pellet was washed with 2 ml of 50 mM tris buffer (pH-7.4) containing 1 mM MgCl2 and centrifuged at 2500 g for 5 min. Then 200 ul of assay buffer (from PDE kit, Enzo Life Sciences) was added to the pellet and sonicated at 30 s per ml. Pellet was freeze thawed for three times (-80&deg; C.) in order to rupture the platelet membrane and release the PDE enzyme. Then the cell homogenate was centrifuged at 2500 rpm for 5 min. Supernatant was collected and used as source for PDE3 enzyme. In 96 well plate (Prod. No. BML-KI101), we added supernatant having PDE3 enzyme, PDE3 assay buffer, cAMP substrate, 5'nucleotidase and test or standard compound and incubated for 1 hour at 37&deg; C. The reaction was arrested by the addition 100 ul BIOMOL GREEN reagent incubated in room temp for 20 min. The green color developed was measured at 620 nm.
7600	1	DELFIA Assay	R3 domains of human XIAP (covering amino acids 241 to 356; XIAP BIR3) and cIAPl (covering amino acids 256 to 363; cIAPl BIR3) were expressed and purified from Ecoli as GST-fusion proteins. Peptide AVPIAQKSE-Lys(Biotin), representing the N-terminus of mature human SMAC (SMAC peptide), was used as interaction partner in the protein- peptide interaction assay.BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonXlOO) for one hour at room temperature in the presence of inhibitiory compounds. The assay mixture was transferred to a strepatvidin coated plate and incubated for one hour at room temperature to allow binding of the biotinylated peptide and associated BIR3 domains to the plate. After several washing steps Eu labeled anti-GST antibody (e.g. Perkin Elmer DELFIA Eu-Nl- antiGST AD0250) was added to detect BIR3 domain-SMAC peptide interactions according to Perkin Elmer's instructions. Briefly, the antibody was added (dilution 1:5000 in Perkin Elmer DELFIA Assay Buffer 2013-01) and incubated for one hour. After 3 washing steps using Delfia Washing Buffer (Perkin Elmer DELFIA Wash 2013-05), Enhancement Solution (Perkin Elmer Enhancement Asolution 2013-02) was added and incubation continued for 10 minutes. Time resolved Europium fluoresecence was measured in a Wallac Victor using Standard assay settings.
7592	1	null	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&beta;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve.
7602	4	Bromodomains Assay for DiscoveRx Gene Symbol	Refer to DiscoverX
7602	3	BROMOscan Assay	Refer to DiscoverX
7602	1	AlphaScreen BRD Binding Assay	Assays were performed with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM NaCl, 0.1% w/v BSA, 0.01% w/v Tween20, pH 7.5, and allowed to equilibrate to room temperature prior to addition to plates. After addition of Alpha beads to master solutions, all subsequent steps were performed in low light conditions. A 2× solution of components with final concentrations of BRD at 40 nM, Ni-coated acceptor bead at 25 ug/mL, and 20 nM biotinylated-JQ1 was added in 10 uL to 384-well plates (AlphaPlate-384, PerkinElmer, USA). After a 1 min 1000 rpm spin-down, 100 nL of compounds in DMSO from stock plates were arrayed in duplicate dose response by pin transfer using a Janus Workstation (PerkinElmer, USA). The streptavidin-coated donor beads (25 ug/mL final) were added as with previous solution in a 2×, 10 uL volume. Following this addition, the plates were sealed with foil to block light exposure and to prevent evaporatio
7602	2	ITC experiments (Isothermal titration calorimetry)	ITC experiments were carried out on anAuto-ITC200 titration microcalorimeter (Malvern Instruments). All experimentswere carried out at 25 °C while stirring at 1,000 r.p.m. in ITC buffer(50 mM HEPES, pH 7.4, at 25 °C, 150 mM NaCl). The microsyringe wasloaded with a solution of the ligand sample. All titrations were conductedusing an initial injection of 0.4 &#956;l followed by 19 identical injections of2.0 &#956;l with a duration of 4 s (per injection) and a spacing of 120 s betweeninjections. The heat of dilution was determined by independent titrations(ligand into buffer) and was subtracted from the experimental data. Thecollected data were analyzed in the MicroCal Origin software supplied withthe instrument to yield enthalpies of binding (&#916;H) and binding constants(KB) as previously described46. Thermodynamic parameters were calculated(&#916;G = &#916;H &#8722; T&#916;S = &#8722;RTlnKB, where &#916;G, &#916;H and &#916;S are the changes in freeenergy, enthalpy of binding and ent
7603	1	ADP-TAMRA Binding Assay	The 96 well plates were used, and the reaction volume was 25 &#956;L using 50 mM sodium phosphate buffer (pH 7.0). For the screening, 30 nM of ADP-TAMRA with 2 &#956;M SidA (based on the Bradford assay) and 20 &#956;M of library compound were used, withthe final DMSO concentration at 2%. Fluorescence polarization measurements were performed with excitation at 544 nm and emission at 584 nm, using a wavelength cutoff of 570 nm. Anisotropy values were normalized to the values obtained in the negative control sample: SidA, ADP-TAMRA, and DMSO. The positive control consisted of ADP-TAMRA and DMSO.
7603	2	SidA Activity Assay	Briefly, this assay consists of the formation of nitrite from hydroxyl amine that is quantified by formation of a chromophore with &#945;-naphthylamine, which has an absorbance maximum at 529 nm. Formation of HO-Orn was quantified using a standard curve with hydroxylamine (25&#8722;350 &#956;M). The standard assay contained 25 &#956;L of 100 mM sodium phosphate (pH 7.5), 1 &#956;M SidA, 500 &#956;M L-Orn, and 250 &#956;M NADPH for activity and IC50 determinations. Compound concentration was varied from 0.01 to 1 mM, and the reaction mix contained a final DMSO concentration of 10%. The reaction was started with the addition of NADPH, allowed to proceed for 20 min atRT, and quenched with 13 &#956;L of 2 N HClO4. To identify compounds that caused inhibition by inducing protein aggregation, the IC50 was determined in 100 mM phosphate buffer, pH 7.5, containing 0.1% v/v Triton X-100.23 As some compounds had either an increase or decrease in the color development or had absorbance at a visi
7604	1	PqsA Spectrophotometric Assay	Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures contained 100 mM HEPES, pH 8.0, 0.2 mM dithiothreitol, 2 mM MgCl2, ~3.3 &#956;g PqsA protein (~60 nM final), and depending on which substrate varied, 1 mM ATP (disodium salt), 0.5 mM coenzyme A (trilithium salt), 0.5 mM sodium anthranilate, and inhibitor (usually as a DMSO stock solution). Reactions were blanked and preincubated with all components except anthranilate at 37 °C for 1 min, then initiated by addition of anthranilate. Formation of anthraniloyl-CoA was monitoredby absorbance at 365 nm (&#949; = 5.5 mM-1cm-1) for 1 min.
7605	1	Colorimetric Malachite Green Assay	The compounds were first mixed with tetrasodium PPi (final concentration of 100 &#956;M) at concentrations specified in the text in the reaction buffer (20 mM Tris-HCl pH 7.5 adjusted at room temperature, and 1 mM MgCl2 for MtPPiase, EcPPiase, ScPPiase or 1 mM MnCl2 for SaPPiase). The total reaction volume was 30&#956;L. The compounds were first tested for inhibition at 4 different concentrations (100, 200, 400, and 600 &#956;M). In each case we added 2 &#956;L of different compound stocks or 2 &#956;L of DMSO without compound (for 0 &#956;M compound assays), to ensure the same DMSO concentration in all the reactions, due to a minor inhibitory effect of DMSO. To initiate the reaction, PPiase (at the final concentration of 2 nM for all PPiases used except for SaPPiase which was used at 0.67 &#956;M for comparable activity) was added to the mixture. The reaction was incubated for 8 min at roomtemperature and then quenched by addition of 150 &#956;L of the malachite green reagent. After 
7606	1	PARG Biochemical Assay	Briefly, PARG in vitro assays were conducted in a total volume of 15 &#956;L in a standard 384-well format. A total of 5 &#956;L of human full length PARG (AstraZeneca), used at a final reaction concentration of 65 pM, was added to 5 &#956;L of Bt-NAD ribosylated PARP1 substrate (AstraZeneca) at a final reaction concentration of 4.8 nM in assay buffer (50 mM Tris pH 7.4, 0.1 mg mL&#8722;1 BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at RT for 10 min, and then 5 &#956;L of detection reagent was added. Detection reagent consists of 42 nM mAb anti-6HIS XL665 (CisBio: 61HISXLB) and2.25 nM streptavidin europium cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM, respectively), in detection buffer (50 mM Tris pH 7.4, 0.1 mg mL&#8722;1 BSA and 100 mM KF). Following incubation at RT for 60 min in the dark, TR-FRET signal was measured at &#955;Ex 340 nm and &#955;Em 665 nm and &#955;Em
7607	1	Competitive Binding Assay (KINOMEscan)	For the competitive binding assay, test compounds were screened at 10 uM against 70 diverse kinase targets for competitive binding using the KINOMEscan technology (Ambit Biosciences) (Karaman, et al. (2008) Nature biotechnology 26:127-132). 11-point Kd curves were determined for hits identified during the initial screen.
7608	1	COX Enzyme Inhibition Assay (Table 1)	Each molecule was evaluated for its ability to inhibit purified mouse COX-2 or ovine COX-1 using a previously described assay. [Kalgutkar et al, J. Med. Chem., 43:2860-2870]
7608	2	COX Enzyme Inhibition Assay (Table 2)	We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Cancer Res., 70:3618-3627]
7609	1	Agonistic Activity Assay	293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, Nacalai Tesque) containing 10% bovine fetal serum in the presence of 250 ug/ml of G418. The cells were seeded on a 10 cm-diameter petri dish at 1.8 106 cells/15 ml, and left to stand in a CO2 incubator (5% CO2, 37&deg; C.) for 24 hours. Thereafter, human CaSR expression plasmid hCaSR/pcDNA3.1 was transfected with transfection reagent Mirus Trans IT 293 (Takara Bio). Following static culture in a CO2 incubator for 24 hours, the cells were harvested with 10% bovine fetal serum-containing DMEM and seeded on a poly-D-lysine coat 384 well plate (Falcon) at 15,000 cells/well. Following static culture in a CO2 incubator for 24 hours, the medium was removed and the resultant was added with 50 ul/well of Ca2+ fluorescent indicator Calcium 4 Assay Kit (Molecular Devices) dissolved in an assay buffer (146 mM NaCl, 5 mM KCl, 1 mM MgSO4, 1 mg/ml Glucose, 20 mM HEPES (PH 7.2), 1.5 mM CaCl2), and left to stand at 37&deg; C. for an hour and then at room temperature for 30 minutes to allow intake of the indicator. The above-mentioned 384-well plate was transferred to FLIPR (Molecular Devices) and added with 12.5 ul/well of a compound dissolved in a 0.1% BSA-containing assay buffer to measure 3-minute change in the fluorescence intensity.
7610	1	Radioligand Displacement Assay	Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 50 mM Tris-Base, 100 mM NaCl, 1 mM EDTA, 0.1% BSA (protease free), 0.01% NaN3, 10 mM MnCl2, pH 7.0) was placed into each well. After addition of 75 ul Binding-Buffer, 50 ul of the radioligand 3H-PGD2 (at 2.5 nM (220.000 dpm/well) from ANAWA ART0662) was added to each well. Binding assay was started by addition of 100 ul CRTH2 membrane fragments, reaching a final concentration of 20 ug/well. For non-specific binding, PGD2 was added to the reaction mixture to 10 mM final concentration. This assay mix was incubated for 90 minutes at room temperature and then filtered through a GF/C filter 96-well plate which was pre-soaked for 3 hours in 0.5% polyethyleneimine (PEI). The filter-wells were washed three times with ice cold Binding-Buffer. Then, 40 ul of Microscint-40 (Packard) was added to each well and the retained radioactivity quantified in a Topcount (Packard).
7611	1	AChE/BuChE Inhibition Assay	The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min using a spectrophotometer. The reaction rates were compared and the percent inhibition due to the presence of test compounds was calculated. Inhibition curve was obtained for each compound. The linear regression parameters were determined and the IC50 values extrapolated.
7612	1	VEGRR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes.
7612	3	VEGRR2	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes.
7612	2	PDGFRbeta Kinase Assay	Biochemical PDGFR&beta; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 36 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase.
7612	4	PDGFRbeta	Biochemical PDGFR&beta; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 36 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase.
7613	1	DPP-IV Activity InhibitoryAssay	Gly-Pro-7-amido-4-methylcoumarin can be hydrolyzed by dipeptidyl peptidase IV (DPP-IV) at room temperature, to generate 7-amido-4-methyl coumarin, which can emit fluorescence with wavelength of 460 nm at excitation wavelength of 355 nm. The variation of the product amount can be determined by the variation of fluorescence intensity, so as to reflect the activity level of the enzyme. The dipeptidyl peptidase IV (DPP-IV), DPP-IV buffer and test samples were used to construct the reaction system of 200 uL, while the blank control (without enzyme and samples) and negative control (without samples) having the same volume were set up. The reaction system and the controls were reacted at room temperature for 10 min, and then dipeptidyl peptidase IV substrate was added thereto respectively, then reacted at room temperature for 30 min. The fluorescence intensity F (excitation wavelength of 355 nm, emission wavelength of 460 nm) was determined.
7615	1	ELISA Assay	The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transformation into DH5a. The plasmids were extracted and determined by enzyme cleavage, and then transformed into DH10Bac. Bacmid/PARP is determined by PCR and sequencing. TNI was transfected, the viruses were collected, and cells were lysed. PARP1 protein was purified by affinity chromatography and determined by Western blotting. A plate was coated by substrate histone, NAD+ and DNA, as well as expressed PARP1 enzyme, was placed into 96-well plate reaction system. Various reaction conditions were optimized and ultimately determined. 
7615	2	Cellular Assay	Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular inhibition against PARP1 using a proliferation inhibition model.
7615	3	Enzyme Assay	In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compound AZD2281 were tested.
7616	1	ABL1 (T315I) Kinase Activity Assay	Serially diluting the compound of the present invention from 1 uM initial concentration in three-fold fashion and formulating 10 concentrations (50.8 pM, 152.0 pM, 457.0 pM, 1.37 nM, 4.12 nM, 12.3 nM, 37.0 nM, 111.0 nM, 333.0 nM and 1.0 uM). 5.0 uM Abltide was added into each well and then human T315I mutant enzyme was added. [gamma-33P] ATP was added at room temperature, with final concentration of 1.0 uM, and the reaction was performed for 120 minutes. 20 ul aliquots were transferred onto the ion exchange chromatography paper P81. The paper was thoroughly washed with a 0.75% phosphoric acid solution three times, and then washed with acetone once. Finally, gamma-33P radioactivity was measured.
7617	1	In vitro IRAK-1 and IRAK-4 Assay	Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOPS pH7.2, 25 mM beta glycerol phosphate, 5 mM EGTA, 1 mM sodium orthovanadate, 1 mM DTT, 50 uM ATP, 20 mM MgCl2, 10 uCi gamma-33P, 0.1% BSA) for the indicated time. For purified recombinant IRAK-1 protein kinase assay, 50 uM ATP was used. A 25 ul aliquot of the reaction mixture was transferred on to p81 phosphocellulose squares (Upstate Biotechnology, Lake Placid, N.Y.). The assay squares were washed three times with 0.75% phosphoric acid and once with acetone. Enzyme activity was measured by determining the bound radioactivity by liquid scintillation counting.
7617	2	In vitro SYK Kinase Assay	SYK activity is measured by phosphorylation of a peptide substrate (Biotin-EPEGDYEEVLE) with [gamma-33P] ATP. The enzyme reaction was conducted at 20 uM ATP with 0.05 uCi [gamma-33P]ATP (2 uCi for 40 ul assay) and 10 uM peptide substrate at final volume of 40 ul in buffer containing 50 mM Hepes, pH 7.2, 1 mM dithiothreitol, 10 mM MgCl2, 100 uM Na3VO4, 0.1% BSA and 10% DMSO. The enzyme assay was carried out with human full length SYK in the presence or absence of ten compound concentrations. SYK and compound were pre-incubated for 10 minutes. Then, the enzymatic reaction was initiated by addition of ATP and peptide substrate. The reaction mixture was incubated at room temperature for 30 minutes. At the end of incubation, the reaction was terminated by transferring 25 ul of the reaction mixture to 100 ul of 10% streptavidin slurry containing 100 mM EDTA. The reaction product was captured on the affinity resin and sequentially washed on a filtration plate (Millipore, MABVNOB50) with 2M NaCl, 2M M NaCl in 1% phosphoric acid and water to remove free radio nucleotide. Then the incorporation of 33P into peptide substrate was quantified on a microplate scintillation counter.
7618	1	In vitro HDACs Inhibition Fluorescence Assay	In brief, 10 &#956;L of HeLa nuclear extract was mixed with various concentrations of target compounds (50 &#956;L), SAHA, using 100% and none HDACs groups as control group, and the mixture. After incubation at 37 °C for 10 min, fluorogenic substrate Boc-Lys (acetyl)-AMC (40 &#956;L) was added and then the mixture was incubated at 37 °C for 30 min. The mixture was stopped by addition of 100 &#956;L of developer containing trypsin and TSA afterward. Over the next incubation at 37 °C for 20 min, fluorescence intensity was measured using a microplate reader at excitation and emission wavelengths of 390 and 460 nm, respectively.
7618	2	Enzymatic Inhibitory Assay	To further ascertain HDAC isoform selectivity of 12m, we conducted enzymatic inhibitory assays against HDAC1 (class I), HDAC8 (class I), HDAC6 (class IIb), HDAC4 (class IIa), and HDAC11 (class IV).
7619	1	In vitro Enzyme Assay	Reaction Biology Corporation Kinase HotSpotSM service: In a final reactionvolume of 25 &#956;L, kinase (5-10 mU) is incubated with 25 mM Tris pH 7.5, 0.02 mM ethylene glycol tetracetic acid (EGTA), 0.66 mg/mL myelin basic protein, 10 &#956;M magnesium acetate, and [&#947;33P-ATP] (specific activity approx. 500 c.p.m./pmol,concentration as required). The reaction is initiated by the addition of the Mg-ATP mix. After incubation for 40 min at room temperature, the reaction is stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. About 10 &#956;L ofthe reaction solution is then spotted onto a P30 filtermat and washed three times for 5 min in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
7620	1	In vitro MAO-A/B Inhibition Assay	The inhibitory activities of flavones were determined in vitro by using fluorescent probe method following the general procedure described in the literature. [Li et al., Nat. Commun., 5:3276]
7621	1	Ligand Binding Assays	As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence of varying concentrations of test compounds for 60 min in a shaking water bath at 25&deg; C. Nonspecific binding is measured using 10 uM naloxone (MOR, DOR, KOR) or N/OFQ (NOP). Samples are filtered through GF/C glass-fiber filtermats mounted on a Brandel cell harvester and rinsed four times with 4&deg; C. 50 mM Tris-HCl, pH 7.4 buffer. Filtermats are dried and 0.1 ml EcoLume scintillation cocktail added to each sample area to soak the filter. Each filtermat in a heat-sealed bag, is counted in a Wallac 1450 MicroBeta Liquid Scintillation and Luminescence Counter.
7622	1	ERK-2 Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide (DMSO) in 3-fold serial dilutions at 100x final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 uM S/T17 peptide substrate and 25 uM ATP (corresponding to the observed Km) for a total reaction volume of 25 uL. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm.
7623	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The enzyme inhibitory activities of compounds disclosed herein were determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). Recombinant, phosphorylated p38 MAPK&#947; (MAPK12: Invitrogen) was diluted in HEPES buffer, mixed with the test compound at the desired final concentrations and incubated for 2 hr at RT. The FRET peptide (2 &#956;M) and ATP (100 &#956;M) were added to the enzyme/compound mixture and incubated for 1 hr. Development reagent (protease) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). The site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction were calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor) for which high ratios indicate high phosphorylation and low rat
7624	1	Fluorescence Polarization Assay	To determine IC50 values in the fluorescence polarization assay, solutions of test compounds were prepared and preincubated with COMT enzyme as stated above. Enzyme reactions were initiated upon the addition of 5 &#956;L of an 8× mix prepared in assay buffer containing 8 &#956;M SAM (USB catalog # US10601), 16 &#956;M dopamine (Sigma catalog # H8502) and 40 mM MgCl2. After 25 minutes incubation at room temperature, reactions were quenched with 5 &#956;L 250 mM EDTA, pH 82. To quenched reactions, 20 &#956;L of a preformed complex containing S-adenosyl-L-cysteine (SAC) TAMRA tracer (2 mM from Ana spec diluted 1:80,000) and a 1:20 dilution of anti-S-adenosyl-L-homocysteine antibody (mouse monoclonal from Abbott Homocysteine detection kit, catalog #7D29-20) was prepared in assay buffer 11 (Na2HPO4 pH 7.2). Prior to combining with quenched enzyme assays, the SAH antibody/SAC TAMRA tracer complex was preformed at room temperature for 30 minutes while protected from light. Therefore, the fin
7625	1	Biochemical Btk Assay	A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus Btk enzyme is prepared containing 1x Cell Signaling kinase buffer (25 mM Tris-HCl, pH 7.5, 5 mM beta-glycerophosphate, 2 mM dithiothreitol, 0.1 mM Na3VO4, 10 mM MgCl2), 0.5 uM Promega PTK Biotinylated peptide substrate 2, and 0.01% BSA. A master mix plus Btk enzyme is prepared containing 1x Cell Signaling kinase buffer, 0.5 uM PTK Biotinylated peptide substrate 2, 0.01% BSA, and 100 ng/well (0.06 mU/well) Btk enzyme. Btk enzyme is prepared as follows: full length human wildtype Btk (accession number NM-000061) with a C-terminal V5 and 6xHis tag was subcloned into pFastBac vector (Invitrogen/Life Technologies) for making baculovirus carrying this epitope-tagged Btk.
7626	1	PIM Kinase Binding Activity Assay	PIM-1, PIM-2, and PIM-3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO.
7627	1	In Vitro Assay	The assay is based on the guanidine influx assay described by Reddy, N. L., et al., J. Med. Chem. (1998), 41(17):3298-302. The guanidine influx assay is a radiotracer flux assay used to determine ion flux activity of voltage-gated sodium channels in a high-throughput microplate-based format. The assay uses 14C-guanidine hydrochloride in combination with various known voltage-gated sodium channel modulators that produce maintained influx, to assay the potency of test agents.
7629	2	Beta1-AR Binding Assay	Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988). In brief, male Sprague-Dawley rats weighing 250-350 g were decapitated and their brains quickly removed. The cerebral cortices were dissected on ice, weighed and promptly transferred to a 50 ml test tube containing approximately 30 ml of 50 mM Tris-HCl, pH 7.8 (at room temperature). The tissues were homogenized with a polytron and centrifuged at 20,000xg for 12 min at 4&deg; C. The pellet was washed again in the same manner and resuspended at a concentration of 20 mg (original wet wt) per 1 ml in the assay buffer (20 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, 0.1 mM ascorbic acid at pH 7.8). To block the beta2 sites present in the cortical membrane preparation, 30 nM ICI 118-551 was also added to the assay buffer. To wells containing 100 ul of the test drug and 100 ul of [3H]CGP-12177 (1.4 nM final concentration), 0.8 ml of tissue homogenate was added. After 2 hours at 25&deg; C., the incubation was terminated by rapid filtration. Nonspecific binding was determined by 10 uM propranolol.
7629	1	Beta2-AR Binding Assay	HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) were grown in Dulbecco's Modified Eagle Medium (DMEM) containing 10% fetal bovine serum (FBS), 0.05% penicillin-streptomycin, and 400 g/ml G418 as previously described (Pauwels et al., Biochem. Pharmacol. 42: 1683-1689, 1991). The cells were scraped from the 150x25 mm plates and centrifuged at 500xg for 5 minutes. The pellet was homogenized in 50 mM Tris-HCl, pH 7.7, with a Polytron, centrifuged at 27,000xg, and resuspended in the same buffer. The latter process was repeated, and the pellet was resuspended in 25 mM Tris-HCl containing 120 mM NaCl, 5.4 mM KCl, 1.8 mM CaCl2, 0.8 mM MgCl2, and 5 mM glucose, pH 7.4. The binding assays contained 0.3 nM [3H]CGP-12177 in a volume of 1.0 ml. Nonspecific binding was determined by 1 uM propranolol.
7629	3	Mitogenesis inhibition method	To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 cells/well. After 48 hours, the wells were rinsed twice and the medium was replaced with fresh medium containing 10 uL of drug in sterile water. After another 24 hours of incubation at 37&deg; C., 0.25 uCi of [3H]-thymidine was added to each well. The cells were incubated for an additional 2 hours at 37&deg; C., at which point 10 uL of 10x trypsin was added, and the resuspended cells were harvested using a Tomtec 96 harvester through glass fiber filters.
7630	1	In Vitro Assay rPDE10	Rat recombinant PDE10a (rPDE10a) was expressed in Sf9 cells using a recombinant rPDE10a baculovirus construct. Cells were harvested after 48 h of infection and the rPDE10a protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 uL) were added in 384 well plates to 20 uL of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 uL of rPDE10a enzyme in incubation buffer was added and the reaction was started by addition of 10 uL substrate to a final concentration of 60 nM cAMP and 0.008 uCi 3H-cAMP. The reaction was incubated for 60 min at rt. After incubation, the reaction was stopped with 20 uL of 17.8 mg/mL PDE SPA beads. After sedimentation of the beads during 30 min the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blank values the enz
7630	2	In Vitro Assay hPDE10a	Human recombinant PDE10A2 was expressed in Sf9 cells, using a recombinant baculovirus construct containing the full length sequence containing a 6×His sequence following the start Met to allow metal affinity purification of the recombinant protein. Cells were harvested and the phosphodiesterase protein was purified by metal chelate chromatography on Ni-sepharose 6FF.The affinity of the compounds of Formula (I) for phophodiesterases (PDE) was measured by a scintillation proximity assay (SPA). PDE Yttrium Silicate SPA beads allow PDE activity to be measured by direct binding of the primary phosphate groups of non-cyclic AMP or GMP to the beads via a complex iron chelation mechanism. The amount of bound tritiated product ([3H]-AMP) is measured by liquid scintillation counting.The compounds were dissolved and diluted in 100% DMSO in polystyrene plates to a concentration of 100-fold the final concentration in the assay. Human PDE10A enzyme solution (10 uL) was added to 20 &#956;L, of incub
7631	1	MymA Inhibition Assay	Inhibition of MymA activity by INH was checked using different concentrations (0-12 um) of INH, 100 um of trimeth- ylamine and 5 mg of MymA along with the other components in the enzyme assay as described above.
7632	1	In Vitro ATP-33P Casein Assay	"U"-bottomed Falcon plates are prepared by placing 5 uL of solutions of the compounds according to the invention at concentrations of 10, 1, 0.1, 0.01 or 0.001 uM in different wells. The solutions of the compounds according to the invention at these various concentrations are prepared by diluting in a test buffer (Tris 50 mM pH 7.5, MgCl2 10 M, DTT 2 mM and EGTA 1 mM) a stock solution in DMSO at a concentration of 10 mM. Next, 5 uL of dephosphorylated casein are added to a final concentration of 0.2 ug/uL, 20 uL of CK1 epsilon to a final concentration of 3 ng/uL, and 20 uL of ATP-33P to a final concentration of 0.02 uCi/uL mixed with cold ATP (10 uM final approximately 2x106 CPM per well). The final total test volume per well is equal to 50 uL. The "U"-bottomed Falcon test plate mentioned above is vortexed, and then incubated at room temperature for 2 hours. After 2 hours the reaction is stopped by adding an ice-cold solution of 65 uL of cold ATP (2 mM) prepared in test buffer. 100 uL of the reaction mixture are then transferred from the "U"-bottomed Falcon plate into Millipore MAPH filter plates, preimpregnated with 25 uL of ice-cold 100% TCA. The Millipore MAPH filter plates are agitated gently and are left to stand at room temperature for at least 30 minutes to precipitate the proteins. After 30 minutes, the filter plates are sequentially washed and filtered with 2x150 uL of 20% TCA, 2x150 uL of 10% TCA and 2x150 uL of 5% TCA (6 washes in total per plate/900 uL per well). The plates are left to dry overnight at room temperature. Next, 40 uL of Microscint-20 Packard scintillation liquid are added per well and the plates are closed in a leaktight manner. The radiation emitted by each well is then measured for 2 minutes in a TopCount NXT Packard scintillation counter, in which the values of CPM/well are measured.
7632	2	FRET Assay	FRET (Fluorescence Resonance Energy Transfer) fluorescence test with the aid of the Z'Lyte kinase assay kit (reference PV3670; Invitrogen Corporation) according to the manufacturer's instructions.
7633	1	Biochemical Assay	PI3KA_Act: Genes encoding for full length p110alpha and p85alpha nSH-iSH2=niSH2 (p85a aminoacids 322-600) subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC Dual vector (Life Technologies, Carlsbad, Calif.) using standard cloning procedures. Gene encoding p110alpha subunit was subcloned into polyhedrine promoter while gene encoding p85alpha niSH2 domains was subcloned into p10 promoter. Additionally, Human Rhinovirus 3C Protease (HRV 3C) site was introduced between nSH2 and iSH2, replacing aminoacids 431-438 of p85alpha with LEVLFQGP HRV 3C recognition sequence, using standard QuickChange mutagenesis protocol (Agilent Technologies, CA). Recombinant baculovirus was generated using Bac-to-Bac protocol (Life Technologies, Carlsbad, Calif.). The biochemical assays of kinase activity of full-length PI3Kalpha (full-length p110alpha/p85a) or truncated PI3Kalpha (p110alpha/iSH2 p85a) were conducted using a fluorescence polarization format similar to the procedure of Yuan J., et al., (2011) "PF-04691502, a Potent and Selective Oral Inhibitor of PI3K and mTOR Kinases with Antitumor Activity, Mol Cancer Ther. 10, 2189-2199.
7633	2	Biochemical Assay	PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC Dual vector (Life Technologies, Carlsbad, Calif.) using standard cloning procedures. Gene encoding p110alpha subunit was subcloned into polyhedrine promoter while gene encoding p85alpha subunit was subcloned into p10 promoter. Additionally, sequence encoding for histidine tag and Tobacco Etch Virus ("TEV") cleavage site preceded p110alpha ORF (Open Reading Frame). The biochemical assays of kinase activity of full-length PI3Kalpha (full-length p110alpha/p85a) or truncated PI3Kalpha (p110alpha/iSH2 p85a) were conducted using a fluorescence polarization format similar to the procedure of Yuan J., et al., (2011) PF-04691502, a Potent and Selective Oral Inhibitor of PI3K and mTOR Kinases with Antitumor Activity, Mol Cancer Ther. 10, 2189-2199. The enzymatic reactions were conducted in 50 uL volumes in 96-well plates.
7634	1	PARP-1 Enzymatic Assay	PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incubated with different concentrations of compounds in a buffer containing 100 mM Tris-HCl pH 8.0, 100 mM NaCl, 20 mM MgCl2, and 1% DMSO for 30 min at RT. The auto-PARylation reaction was initiated by addition of 500 nM NAD and 20 ng/ul activated DNA (Sigma) and incubated at RT for 40 min. The remaining NAD was detected by incubation with cycling assay solution containing 1% ethanol, 0.30 U/ml alcohol dehydrogenase, 25 uM resazurin, and 0.25 U/ml diaphorase for 50 min at RT. The concentration of NAD is proportional to the fluorescence signal at Ex 540 nm/Em 590 nm.
7634	2	PARP-2 and PARP-3 Enzymatic Assay	PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with the kits. Briefly, histones were coated in a high binding plate first, and incubated with PARP-2 or PARP-3, and increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD and activated DNA were added to the wells. The biotinylated PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence.
7634	3	Tankyrase-2 Enzymatic Assay	Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GST-fused tankyrase-2 (recombinant protein expressed and purified from Bacluovirus) were coated on a GSH-precoated plate first, and incubated with increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD was added to the wells. The biotinylated auto-PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence.
7635	1	ALK-5 Kinase Assay	In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 ul Assay Buffer (50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT ) is added to reach well. Add 10 ul of Cold ATP mix in Assay Buffer, then 10 ul of a 1:10 dilution of alpha-Casein stock. Then add 2 ul of compound being tested (DMSO) at a 50x final concentration. Hot ATP mix (10 ul) is added, and the reaction is started with the addition of 10 ul of a 1:350 dilution of the ALK-5 protein (2 nM final) in Assay Buffer with 0.05% BSA (Bovine Serum Albumin). The reaction is mixed for 5 minutes at room temperature, and then continued for 145 minutes at room temperature. The reaction is then stopped with the addition of 100 ul of ice-cold 20% TCA (trichloroacetic acid). The assay is then incubated for at least 1 hour at 4&deg; C., and then the contents of each well are filtered by suction through the filter. The wells are washed three times with 200 ul ice-cold 10% TCA. The plate bottom is blotted before and after removing plastic sub-base, and dried overnight at room temperature. Add 30 ul of scintillation fluid, and count 1 minute per well on a Wallac Tri-Lux scintillation counter.
7635	2	ALK-5 Gene 	ALK-5 gene reporter assay methods have been described in the art (see e.g., Maliekal et al. (2004) J Biol Chem 279(35):36287-36292). The compounds named in the specified Examples were tested as follows for inhibition of Smad binding element (SBE) luciferase reporter activity in TGFbeta1 stimulated NIH-3T3 cells. The following luciferase assay employs NIH/3T3 (murine fibroblast) cells, which are transiently transfected with a Smad binding element (SBE) luciferase reporter construct. This expressed construct is responsive to agents that stimulate the Smad signaling pathway.
7636	1	BACE-1 Cell-Free Assay	A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY{circumflex over (0)}EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 uL assay buffer (100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37&deg; C.
7636	2	BACE-2 Cell-Free Assay	This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay BACE2 activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-KEISEISYEVEFR-C(Oregon green)-KK-OH. The BACE2 enzyme is available from Enzo Life Sciences (Cat #BML-SE550). Compounds are incubated in a 1/2 log dose response curve from a top concentration of 100 uM with BACE2 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE2 is at a final concentration of 2.5 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 uL assay buffer (100 mM Sodium Acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37&deg; C. The reaction is stopped with the addition of 30 uL of 1.5 uM Streptavidin (Pierce, #21125).
7637	1	HDAC enzyme inhibitionAssay	HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48 and Perez-Balado et al., 2007, J. Med. Chem., 50:2497-2505. Inhibition assays using nuclear extract were performed essentially as described in Herman et al., 2006, Nat. Chem. Biol., 2:551-558. Briefly, the purified HDACs or nuclear extract were incubated with an acetylated substrate in the absence of the compound to be assayed and with increasing concentrations of the compound. The rate of substrate deacetylation was measured under each condition, and half-maximal inhibitory concentration with regard to each HDAC was determined by standard means.
7638	1	Enzymatic Assay	Furin activity was measured in triplicate in wells of a 96-well plate in 0.2 ml 50 mM HEPES, pH 7.5, containing 1 mM CaCl2, 0.005% Brij-35 and 20% glycerol. Pyr-RTKR-AMC (25 &#956;M) was used as a substrate. The concentration of furin in the reactions was 50 nM. The steady-state rate of substrate hydrolysis was monitored continuously (&#955;ex=360 nm and &#955;em=465 nm) at 37° C. using a Spectramax Gemini EM fluorescent spectrophotometer (Molecular Devices).
7639	1	In Vitro Inhibition Assay	&#945;-Synucleinopathies are characterised by aggregation of &#945;-synuclein in neurons. Aggregation of purified &#945;-synuclein is performed essentially as described by Gerard et al. FASEB. 20(3):524-6 (2006). 20-100 &#956;g purified &#945;-synuclein (Sigma; S7820) at a concentration of about 2.5 &#956;g/mL is incubated in the presence of spermin (250 &#956;M) or paraquat (32 mM) or 6-hydroxydopamine (400 &#956;M) or vehicle in a 384 well plate. Spermin, paraquat and 6-hydroxydopamine promote the &#945;-synuclein aggregation process. Aggregation kinetics is determined by measuring turbidity at 340 nm, every 1-15 minutes for at least one hour. 
7640	1	Inhibition Assay	Master solutions were prepared containing human liver microsomes (Gibco, 0.2 mg/mL) and MgCl2 (5 mM) in potassium phosphate buffer (10 mM). To aliquots (169 &#956;L) of the microsome solution was added test compound in acetonitrile (1 &#956;L) and DMSO (1 &#956;L) to provide final test compound concentrations of 0, 0.005, 0.05, 0.25, 1, 5, 10, and 25 &#956;M.NADPH (10 mM) in ultra-pure water (20 &#956;L) was added, and this mixture was incubated at 37° C. for 30 minutes. The enzyme reaction then was initiated by the addition of enzyme substrate (dextromethorphan) dissolved in 1 &#956;L of acetonitrile and 9 &#956;L of ultra-pure water. The final substrate concentration was 10 &#956;M.After 20 minutes, the incubation mixture was diluted with 3 volumes of cold methanol containing imipramine (200 nM), labetalol (200 nM), and ketoprofen (2 &#956;M) as internal standards. Samples were centrifuged at 16,000 g for 10 minutes, then an aliquot of the supernatant (200 &#956;L) was removed and a
7641	1	TACE Enzyme Assay	The TACE enzyme is an internal production (carried out according to the publication Protein Eng Des Sel, 2006, 19, 155-161) and is added so as to have a signal equivalent to 6 times the background noise over 2 h at 37&deg; C. The reaction takes place in a buffered medium: Tris 50 mM, 4% of glycerol, pH 7.4. The fluorescent substrate is MCA-Pro-Leu-Ala-Val-(Dpa)-Arg-Ser-Ser-Arg-NH2 (R&D system reference: ES003). The substrate is cleaved by the enzyme between alanine and valine thus releasing a fluorescent peptide (excitation: 320 nm, emission: 420 nm). The substrate is used at 40 uM. The reaction is carried out in a final volume of 10 ul (4 ul inhibitor, 4 ul substrate, 2 ul enzyme) in a plate of 384 low-volume wells (Corning reference: 3676). The plate is incubated for 2 h at ambient temperature, then read in fluorescence mode using a Pherastar (BMG labtech).
7641	2	Inhibition Assay	The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that described for the TACE enzyme in example 28 but with different substrates (MMP R&D system reference: P126-990 and ADAM R&D system reference: ES003).
7642	1	CYP Inhibition Assay (Without Preincubation)	Without Preincubation: To a 96 deep well plate was added 2.5 uL, of the test substance solution (x200 concentration), 442.5 uL of Incubation Mixture, and 5 uL of the substrate solution, and the solution was mixed and warmed to 37&deg; C. for 5 minutes. To this incubation solution 50 uL of 10 mM NADPH was added to start the reaction, and incubated at 37&deg; C. for 5 minutes. After the incubation, 100 uL of the Incubation Mixture was removed, added to 150 uL of isopropanol containing IS and mixed. This mixture was transferred onto a multi-screen filter, centrifuged at 500xg at 4&deg; C. for 10 minutes. The filtrate was used for LC-MS/MS analysis.
7642	2	CYP Inhibition Assay (With Preincubation)	With Preincubation: To a 96 deep well plate was added 2.5 uL of the test substance solution (x200 concentration), and 442.5 uL of Incubation Mixture, and the solution was mixed and warmed to 37&deg; C. for 5 minutes. To this incubation solution 50 uL of 10 mM NADPH was added and preincubated at 37&deg; C. for 30 minutes. After the preincubation, 5 uL of the substrate solution was added and the solution was mixed and further incubated at 37&deg; C. for 5 minutes for the reaction. After the reaction, 100 uL of the Incubation Mixture was removed, added to 150 uL of isopropanol containing IS and mixed. This mixture was transferred onto a multi-screen filter, centrifuged at 500xg at 4&deg; C. for 10 minutes. The filtrate was used for LC-MS/MS analysis.
7643	1	NMR Measurements	Uniform 15N isotope labeling was achieved by expression of the protein in the M9 minimal media containing 15NH4Cl as the sole nitrogen source. The final step of purification of Mdm2 (residues 1&#8722;118, chosen to enable interactions of N-terminal Mdm2 part [Showalter et al., J. Am. Chem. Soc., 130:6472-6478]) for NMR consisted of gel filtration into the NMR buffer (50 mM phosphate buffer at pH 7.4 containing 150 mM NaCl, 5 mM DTT). Then, 10% (v/v) D2O was added to the samples to provide a lock signal. All the spectra were recorded at 300 K using a Bruker Avance 600 MHz spectrometer. 1H&#8722;15N heteronuclear correlations were obtained using the fast HSQC pulse sequence. [Mori et al., J. Magn. Reson., Ser. B, 108:94-98] Assignment of the amide groups of Mdm2 was obtained after Stoll et al. [Stoll et al., Biochemistry, 40:336-344]
7643	2	Microscale Thermophoresis (MT) Binding Assay	MST (NanoTemper Technologies GmbH) was used to determine the binding affinities between Mdm2 (residues 1-118 T47W; 500 nM) and inhibitors. T47W mutation was introduced to facilitate label-free measurements and did not interfere with small molecule binding, as evidenced by unaffected affinity toward a reference compound, nutlin-3. Experiments were performed in 50 mM phosphate buffer at pH 7.4 containing 150 mM NaCl, 5 mM DTT, and 5% DMSO. Inhibitors at increasing concentration (0.763 nM to 25 uM; highest concentration was limited by solubility) were incubated with the protein for 5 min prior to measurement at 25 &deg;C (excitation 280 nm, emission 350 nm). An inhibitor concentration-dependent decrease in tryptophan fluorescence was observed. Inhibitor binding-specific fluorescence quenching was evidenced by a loss of the effect in samples containing the inhibitor, but denatured by heating (95 &deg;C for 5 min) in the presence of 2% SDS and 20 mM DTT.
7644	1	WNK1 Mobility Shift Assay	A mixture of fluorescein labeled OSR1 peptide substrate (Toray Research Center, Inc.) and ATP was prepared with final concentrations of 10 and 25 &#956;M, respectively, in 7 &#956;L of reaction buffer [20 mM HEPES Na (pH 7.5), 1 mM MnCl2, 0.01% Tween 20, and 2 mM DTT]. Compounds at final concentrations from 0.003 to 100 &#956;M in 1 &#956;L were added to the peptide/ATP mixture at a final DMSO concentration of 10%. The reaction was initiated by the addition of 2 &#956;L of GST-WNK1 (1&#8722;491; Carna Biosciences) that was 86% pure at a final concentration of 25 nM in a 384-well plate. After incubation for 3 h at 25 °C, where 15% conversion of the substrate to the product was observed, 10 &#956;L of a stop buffer containing 0.2% coating-3 reagent with 2 mM EDTA was added. For 800 &#956;M ATP, the WNK1 assay was performed for 50 min at 25 °C, where 15% conversion of the substrate to the product was observed. Aliquots from each well were transferred onto a four-sipper chip on a Labchip3
7644	2	WNK1 HTRF Assay	For hit validation, eight compound replicates were made from the original stock dilution plates. The Cybi-WellTM dispenser was used to prepare 1.5 &#956;L of compound dots in the intermediate dilution plates, which were then transferred to the assay plates. For validation at 100 &#956;M ATP, the reactions were carried out and quenched and products detected as described above for screening. For validation at 1 mM ATP, the compound transfer and reagent preparation followed the same standard assay protocol except for using 10× higher ATP in the substrate mixture. The reactions were incubated for 1.5 h at RT, at which time point the signal generation is still in the linear range. A total of 6 &#956;L of the stop and detection reagent was added and incubated at RT for at least 2 h before reading on an Envision Multilabel reader (PerkinElmer). All compounds were tested in duplicate as an eight-point, half-log dilution series from 0.025 to 80 &#956;M.
7644	3	WNK In Vitro Radiometric Assays	The assay utilized 5 to 10 nM of WNK1&#8722;4 protein compared to 25 nM used for mobility shift assay, enabling a more accurate comparison of selectivity among potent inhibitors. Assays measured the incorporation of 33P from [&#947;-33P]ATP into myelin basic protein (MBP) coated in the wells of 96-well ScintiPlates (PerkinElmer). Each well of the MBP-coated ScintiPlates held 100 &#956;L of a solution containing 20 mM HEPES at pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and WNK3), 0.01% Tween-20 (WNK1, WNK3, and WNK4) or 0.02% Tween-20 (WNK2), 1 mM TCEP, 2% DMSO, 1 &#956;M ATP (WNK1, WNK3, and WNK4) or 2 &#956;M ATP (WNK2), 1 &#956;Ci [&#947; -33P]ATP (WNK1, WNK2, WNK4) or 0.25 &#956;Ci [&#947;-33P]ATP (WNK3), WNK kinase enzyme (5 nM WNK1, 10 nM WNK2, 5 nM WNK3, or 10 nM WNK4), and the compound at the desired concentration. The plate was sealed and mixed for 20 s at 800 rpm on a benchtop plate shaker. The plate was then placed in a 25 °C shaking incubator at 175 rpm. Reactio
7645	1	Steady-State Kinetic Assays	Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of resorufin acetate (Sigma) in DMSO were added as 5 &#956;L aliquots to clear-bottom 96-well plates (Greiner bio-one). Using a multi-channel pipette, 95 &#956;L of enzyme was added to each well and quickly mixed by pipetting up and down several times. Each enzyme was assayed in 2 separate runs, each with 4 replicates per substrate concentration and 4 replicates of catalytic-dead enzyme. Fluorescence was measured every 35 seconds for 15 minutes on a Tecan F500 plate reader (525/35 nm excitation filter, 600/10 nm emission filter, and a 560 LP dichroic filter).
7645	2	Fluorescence Binding Assays	Varying amounts of enzyme were diluted in PBS supplemented with 0.5 g/L pluronic F127 and incubated with 500 nM ML349-FL for 30 minutes at room temperature. The fluorescent polarization from each well was measured using a Tecan F500 plate reader using 485/20 nm excitation and 535/25 nm emission polarization filters. Each concentration was measured in 2 replicates.
220	2	Monoamine Oxidase (MAO) Assay	Inhibition of monoamine oxidase activity was carried used using the MAO-GIo Assay Kit according to the manufacturer&#39;s suggested protocol. Briefly, 6.25 &#956;L of test compound was added to each well of a 384-well plate. Enzyme (either MAO A or B) was added (12.5 &#956;L in 2× buffer containing 1 &#956;g protein) and allowed to incubate for 5 minutes. Finally, 6.25 &#956;L of 4×MAO substrate was added to each well. Following a one hour incubation, 25 &#956;L of Luciferin detection reagent was added to each well, and incubated for 20 minutes. Luminescence was then measured on an Envision microplate reader. Representative data used to determine IC50 for inhibition of each MAO isoform is provided in Figure 4, and representative data for several compounds is summarized in Table 8 below.
299	2	Radioligand Binding Assay	HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom of the flasks, and homogenized for 30 sec using a Brinkman PT 10/35 polytron. TME buffer was added to achieve a final 40 ml volume in the centrifuge tubes (the composition of TME is 100 mM TRIS base, 20 mM MgCl2, 2M EDTA; 10N HCl is added to achieve a pH of 7.4).The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buffer to give a final 1 mg/ml protein concentration, as determined by Biorad assay. Radioligand binding competition assays vs. [3H-]17-phenyl PGF2a (5 nM) were performed in a 100 &#956;l volume for 60 min. Binding reactions were started by adding plasma membrane fraction. The reaction was terminated by the addition of 4 ml ice-cold TRIS-HCl buffer and rapid filtration through glass fiber GF/B filters using a Brandel cell harvester. The filters were washed 3 times with ice-cold buffer and oven dried for one hour.[3H] PGE2 (specific activity 180 Ci mmol) was used as the radioligand for EP receptors. [3H] 17-phenyl PGF2a was employed for FP receptor binding studies. Binding studies employing EP1, EP2, EP4 and FP receptors were performed in duplicate in at least three separate experiments. A 200 &#956;l assay volume was used. Incubations were for 60 min at 25° C. and were terminated by the addition of 4 ml of ice-cold 50 mM TRIS-HCl, followed by rapid filtration through Whatman GF/B filters and three additional 4 ml washes in a cell harvester (Brandel).
507	2	pH-Based Assay	Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Becton-Dickinson) at 75,000 cells/well in growth media containing 5 uM PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 (wash buffer), and loaded using 0.1 mL of wash buffer containing Fluo-4 (3 uM final concentration, commercially available from Molecular Probes). After 1 h, the cells are washed twice with 0.2 mL wash buffer and resuspended in 0.05 mL 1x Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 3.5 mM CaCl2 and 10 mM Citrate, pH 7.4 (assay buffer). Plates are then transferred to a FLIPR for assay. The test compound is diluted in assay buffer, and 50 uL of the resultant solution is added to the cell plates and the solution is monitored for two minutes. The final concentration of the test compound is adjusted to range from about 50 picoM to about 3 uM. Agonist buffer (wash buffer titrated with 1N HCl to provide a solution having a pH of 5.5 when mixed 1:1 with assay buffer) (0.1 mL) is then added to each well, and the plates are incubated for 1 additional minute.
50048205	2	ChEBML_1632339	Displacement of [3H]DAMGO from MOR in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50048205	3	ChEBML_1632341	Displacement of [Leu-3,4,5-3H(N)]-Substance P from NK1 receptor in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50048205	4	ChEBML_1632340	Displacement of [3H]DELT2 from DOR in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50048206	3	ChEBML_1632368	Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed by MCSF stimulation for 3 mins by ELISA
50048206	4	ChEBML_1632372	Inhibition of N-terminal His-tagged full length recombinant human PI3K p110gamma expressed in baculovirus expression system using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50046331	3	ChEMBL_1506611 (CHEMBL3598468)	Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting method
50009768	3	ChEMBL_214672 (CHEMBL820790)	Inhibition of CS-1 peptide binding to VLA-4 expressed in Ramos cells
50009899	22	ChEMBL_217452 (CHEMBL823501)	Inhibition of alpha4-beta1 VCAM binding in Jurkat cell adhesion assay
50009768	6	ChEMBL_214671 (CHEMBL820789)	Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM
50048498	1	ChEMBL_208728 (CHEMBL809418)	Compound was tested for inhibition of thrombin
50042163	4	ChEMBL_214663 (CHEMBL819077)	Antagonistic activity against VLA-4 binding to recombinant human VCAM by ramos cell assay
50042163	3	ChEMBL_214662 (CHEMBL819076)	Antagonistic activity against VLA-4 (derived from ramos cells) binding to recombinant human VCAM by ELISA assay
1315	1	GTP&#947;S Binding Assay	GTP&#947;S binding assays are performed in 96 well microtiter plates (Nunc, 442587) in a final volume of 200 &#956;l, using membrane preparations of CHO cells expressing recombinant human S1P1 receptor or human S1P3 receptor. Assay conditions are 20 mM HEPES (Fluka, 54461), 100 mM NaCl (Fluka, 71378), 5 mM MgCl2 (Fluka, 63064), 0.1% BSA (Calbiochem, 126609), 1 &#956;M GDP (Sigma, G-7127), 2.5% DMSO (Fluka, 41644), 50 pM 35S-GTP&#947;S (Amersham Biosciences, SJ1320). The pH is 7.4. Test compounds are dissolved and diluted in 100% DMSO and pre-incubated at room temperature for 30 min in 150 &#956;l of the above assay buffer, in the absence of 35S-GTP&#947;S. After addition of 50 &#956;l of 35S-GTP&#947;S, the assay is incubated for 1 h at rt. The assay is terminated by transfer of the reaction mixture to a Multiscreen plate (Millipore, MAHFC1H60) using a cell harvester from Packard Biosciences, and the plates are washed with ice-cold 10 mM Na2HPO4/NaH2PO4 (70%/30%), dried, sealed at the bottom and, after addition of 25 &#956;l MicroScint20 (Packard Biosciences, order#6013621), sealed on the top. Membrane-bound 35S-GTP-&#947;S is measured with a TopCount from Packard Biosciences.
1345	2	Electrophysiological Assay	For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and the osmolarity adjusted to 320) or Tyrodes salt solution (Sigma, USA) supplemented with 10 mM HEPES (pH adjusted to 7.4 with NaOH; osmolarity=320). The internal pipette solution contained (in mM): NaCl (10), CsF (140), CaCl2 (1), MgCl2 (5), EGTA (11), HEPES (10: pH 7.4, 305 mOsm). Compounds were prepared first as series of stock solutions in DMSO and then dissolved in external solution; DMSO content in final dilutions did not exceed 0.3%. At this concentration, DMSO did not affect sodium currents. Vehicle solution used to establish base line was also contacting 0.3% DMSO.
50038578	20	ChEMBL_552463 (CHEMBL1002723)	Inhibition of Torpedo californica AChE
9307	1	Biochemical Activity Assay	Protein was expressed and purified from E. coli BL21 DE3 Rosetta 2 (EMD Millipore) cells using standard techniques. Cells were grown in 2x yeast extract tryptone medium and expression was initiated via the addition of isopropyl -D-1-thiogalactopyranoside. Expression proceeded overnight at 18 &deg; C. Cells were harvested by centrifugation and subsequently lysed via sonication. Insoluble fraction was removed by centrifugation. Maltose binding protein (MBP) fusion proteins were purified on a dextrin sepharose column (GE Healthcare) and the MBP tag was removed using tobacco etch virus protease overnight during dialysis. Protein was further purified on a heparin column (GE Healthcare) and eluted using a NaCl gradient. Column fraction were pooled and further purified on a Superdex 75 gel filtration column (GE Healthcare). Protein was quantified using 280 nm absorbance. Protein was then flash frozen in liquid nitrogen and stored at 80 &deg; C. until use.
7647	1	Viral Plaque Reduction Assay	African green monkey kidney BSC-1 cells were grown in Dulbecco's modified Eagle medium (DMEM) supplemented with 10% fetal bovine serum (FBS) (Gibco BRL Life Technologies, Gaithersburg, Md.) and 0.1% gentamicin antibiotic at 37&deg; C. in a humidified 5% CO2 environment. Confluent BSC-1 cells were infected with vaccinia virus at an MOI of 0.005 in 48-well plate. The test compounds and control cidofovir were dissolved in DMSO and diluted with the medium. One hour post infection, 400 uL of the test compounds and control were added per well at concentrations ranging from 200 nM to 200 uM and incubated at 37&deg; C. for 16 hours. A 5% solution of formaldehyde in PBS was used to fix the cells. After washing twice with PBS, the plate was stained with 0.2% crystal violet in 50% ethanol.
7648	1	ELISA-Based Assay	Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or mutations were used. In addition, potency measurements were made using different formats of the replicon assay, including different ways of measurements and different plating formats. See Jan M. Vrolijk et al., A replicons-based bioassay for the measurement of interferons in patients with chronic hepatitis C, 110 J. VIROLOGICAL METHODS 201 (2003); Steven S. Carroll et al., Inhibition of Hepatitis C Virus RNA Replication by 2'-Modified Nucleoside Analogs, 278(14) J. BIOLOGICAL CHEMISTRY 11979 (2003). However, the underlying principles are common to all of these determinations, and are outlined below.Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to the assay. Potency was determined using a cell ELISA assay with an antibody to the replicons encoded NS3/4a protease. See Caterina Trozzi et al., In Vitro Selection and Characterization of Hepatitis C Virus Serine Protease Variants Resistant to an Active-Site Peptide Inhibitor, 77(6) J. Virol. 3669 (2003).
7649	1	cAMP Assay	The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15630-056) and 0.1% BSA (7.5% stock, Invitrogen Cat#15260-037); (b) Buffer 2: 0.5 mM IBMX (200 mM stock in DMSO, Sigma 15879) in Buffer 1; (c) 1 uM cAMP Standard (50 uM stock, Perkin Elmer Cat# AD0262) diluted in Buffer 2 and serially diluted in Buffer 2, 12 doses at 1/2 dilutions resulting in a dose range of 1 uM to 0.5 nM; (d) d2 labelled cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 6 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); (e) anti-cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 5 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); and (f) Forskolin (Sigma Cat# F6886, 10 mM in DMSO) diluted first in DMSO to 1 mM and then to 1.5 uM in Buffer 2.
7649	2	Binding Assay	Experimental Procedure CB-1 Membrane Binding: Into Greiner V bottom polypropylene plates, hCB1-CHO-K1 membranes (2 ug/well final concentration) in assay buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl2 and 0.5 mg/ml (0.05%) Ultra fatty acid free BSA) were dispensed. Membranes were purchased from Perkin Elmer. Test compounds were then added to each well and then [3H] CP 55, 940 (0.4 nM final well concentration) in assay buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl2 and 0.5 mg/ml (0.05%) Ultra fatty acid free BSA) was added. Samples were mixed and incubated for 90 min at 30&deg; C. in the Greiner V Bottom Polypropylene plate. After incubation, assay reagents were transferred to a blocked 384 well polypropylene filter plates. The binding reaction was stopped by filtration and washed seven times with ice cold rinse buffer. Filter plates were then dried overnight at room temperature. The next day, plate bottoms were sealed with plate tape and 15 ul MicroScint 20 was added to each well. Plates were incubated for 2 h and radioactivity was measured by Topcount.
7649	3	Binding Assay	Experimental Procedure CB-2 Membrane Binding: Into Greiner V bottom polypropylene plates, hCB2-HEK293 membranes (2 ug/well final concentration) in assay buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl2 and 0.5 mg/ml (0.05%) Ultra fatty acid free BSA) were dispensed. Membranes were prepared as described in FELDER, C. C., et al., Molecular Pharmacology, 1992, pp 838-845, Vol. 42. Test compounds were then added to each well and then [3H] CP 55, 940 (0.5 nM final well concentration) in assay buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl2 and 0.5 mg/ml (0.05%) Ultra fatty acid free BSA) was added. Samples were mixed and incubated for 90 min at 30&deg; C. in the Greiner V Bottom Polypropylene plate. After incubation, assay reagents were transferred to a blocked 384 well polypropylene filter plates. The binding reaction was stopped by filtration and washed nine times with ice cold rinse buffer. Filter plates were then dried overnight at room temperature. The next day, plate bottoms were sealed with plate tape and 15 ul MicroScint 20 was added to each well. Plates were incubated for 2 h and radioactivity was measured by Topcount.
7650	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 ul of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7650	2	VEGFR2 Cellular Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 384-well fibronectin coated black-walled plates overnight @ 37&deg; C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37&deg; C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 uM) or at concentrations ranging from 0.0001 to 10.0 uM followed by VEGF165 stimulation (10 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera. Data were generated by determining max-min fluorescence levels for unstimulated, stimulated, and drug treated samples.
7650	3	PDGFRbeta Kinase Assay	Biochemical PDGFRbeta kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per wellPBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 36 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 ul of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7650	4	PDGFRbeta 	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of PDGF-induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. NHDF-Ad (Normal Human Dermal Fibroblasts, Adult; Lonza) were seeded in 384-well fibronectin coated black-walled plates overnight @ 37&deg; C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37&deg; C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 uM) or at concentrations ranging from 0.0001 to 10.0 uM followed by PDGF-BB stimulation (30 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera. Data were generated by determining max-min fluorescence levels for unstimulated, stimulated, and drug treated samples.
7651	1	Antagonistic Activity Assay	The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from the method described in literature (Toshikatsu Okumura et al., Biochemical and Biophysical Research Communications 280, 976-981, 2001). Chinese hamster ovary (CHO) cells forcibly expressing the hOX1R and hOX2R were seeded into a 96 well Black clear bottom plate (Nunc) at 20,000 cells per well, which were cultured in Ham's F-12 medium containing 0.1 mM MEM non-essential amino acids, 0.5 mg/ml G418, 10% fetal bovine serum (all by Invitrogen) for 16 hours under the conditions of 37&deg; C., 5% CO2. After removing the medium, 100 uL of 0.5 uM Fluo-4AM ester (Dojin) in an assay buffer (25 mM HEPES (Dojin), Hank's balanced salt solution (Invitrogen), 0.1% bovine serum albumin, 2.5 mM probenecid, 200 ug/ml Amaranth (all by Sigma-Aldrich), pH 7.4) was added and the cells were incubated for 60 minutes at 37&deg; C., 5% CO2. After removing the medium, 100 uL of 0.5 uM Fluo-4AM ester (Dojin) in an assay buffer (25 mM HEPES (Dojin), Hank's balanced salt solution (Invitrogen), 0.1% bovine serum albumin, 2.5 mM probenecid, 200 ug/ml Amaranth (all by Sigma-Aldrich), pH 7.4) was added and the cells were incubated for 60 minutes at 37&deg; C., 5% CO2. After removing the assay buffer containing fluo-3AM ester, the test compound was dissolved in dimethyl sulfoxide to be 10 mM and diluted with the assay buffer, 150 uL of which was added and incubated for 30 minutes.
7652	1	FLIPR Assay	The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the human CXCR3A coupled to a G protein (Galpha(16)). Cells are plated the day prior to bioassay in F12 medium supplemented with 10% FBS and G418 and hygromycin antibiotics to maintain recombinant selection. At the day of bioassay, cells are washed and dye loaded for one hour with Fluo-4-AM (Invitrogen) in Hanks Balanced Salt Solution (Invitrogen), buffered with 20 mM Hepes at pH 7.4 and sodium bicarbonate (0.015%), containing 5 mM probenecid. This buffer, but lacking the dye and containing probenecid at a concentration of 2.5 nM, is also is used for washing steps (wash buffer); or lacking both dye and probenecid but supplemented with 0.1% BSA for compound dilution steps (dilution buffer). Cells are washed free of excess dye and 60 microliter of wash buffer is added. Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in dilution buffer to concentrations required for inhibition dose response curves. After a 10 minute incubation period at 37&deg; C., 10 microliters of each compound dilution are transferred from a compound plate to the plate containing the recombinant cells in the FLIPR instrument according to the manufacturer's instructions. Following basal readings, 10 microliter CXCL10 agonist at a concentration of 20 nM (from Peprotech) is added, again using the FLIPR instrument. Changes in fluorescence are monitored before and after addition of the test compounds.
7653	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, 1% (v/v) DMSO at the following concentrations for each isoform: PI3K alpha, beta, delta, and gamma at 50 picomolar (pM) and PI3Kgamma at 2 nanomolar (nM). After an assay reaction time of 30 minutes at 25&deg; C., reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 us delay and 500 us read window).
7654	1	CYP17 Total SPA Assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 ul prepared from 7.5 ul additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 ul of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4&deg; C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.
7655	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 ul. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 uL of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE10 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described as follows, such as papaverine (see Siuciak, et al. Neuropharmacology (2006) 51:386-396; Becker, et al. Behav Brain Res (2008) 186(2):155-60; Threlfell, et al., J Pharmacol Exp Ther (2009) 328(3):785-795), 2-{4-[pyridin-4-yl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]phenoxymethyl}quinoline succinic acid or 2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]quinoline succinic acid (see Schmidt, et al. J Pharmacol Exp Ther (2008) 325:681-690; Threlfell, et al., J Pharmacol Exp Ther (2009) 328(3): 785-795). 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 (Labcyte, Sunnyvale, Calif.) is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. A solution of enzyme (1/1600 dilution from aliquots; sufficient to produce 20% substrate conversion) and a separate solution of FAM-labeled cAMP PDE from Molecular Devices (product #R7506), at a final concentration of 50 nM are made in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). The enzyme and the substrate are then added to the assay plates in two consecutive additions of 10 uL, and then shaken to mix. The reaction is allowed to proceed at room temperature for 30 minutes. A binding solution is then made from the kit components, comprised of 80% Solution A, 20% Solution B and binding reagent at a volume of 1/600 the total binding solution. The enzymatic reaction is stopped by addition of 60 uL of the binding solution to each well of the assay plates and the plates are sealed and shaken for 10 seconds. The plate was incubated at room temperature for at least one hour prior to determining the fluorescence polarization (FP). The parallel and perpendicular fluorescence of each well of the plate was measured using a Perkin Elmer Enyision plate reader (Waltham, Mass.).
7656	1	Caliper-Based Kinase Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant Btk (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). 
7646	3	GTPyS binding assay	Test compound and/or vehicle was preincubated with the cell membranes and 3 uM GDP in modified HEPES buffer (pH 7.4) for 20 minutes, followed by addition of SPA beads for another 60 minutes at 30&deg; C. The reaction is initiated by 0.3 nM [35S]GTP gamma S for an additional 30 minutes incubation period. Test compound-induced increase of [35S]GTP gamma S binding by 50 percent or more (250%) relative to the receptor subtype-specific agonist response indicates possible opiate receptor agonist activity. 0.1 uM DPDPE, 1 uM U-69593 and 1 uM DAMGO were used as the specific agonists for the delta, kappa and mu opioid receptors respectively. Opioid receptor antagonist activity was measured using inhibition of agonist-induced increase of [35S]GTP gammaS binding response by 50 percent or more (250%). Nalbuphine, 6-O-mPEG3-Nalbuphine, 6-O-mPEG6-Nalbuphine, 6-O-mPEG9-Nalbuphine were screened at concentrations of 10, 1, 0.1, 0.01 and 0.001 uM in both agonist and antagonist mode. EC50 or IC50 values were calculated from the dose-response curves as a measure of the agonist or antagonist activity of the test compounds respectively.
7646	1	Scintillation Proximity Assay (SPA)	Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay conditions for each opioid receptor subtype are described in Table 10 below. The plates were incubated for 8 hours-overnight at room temperature, spun at 1000 rpm to pellet the SPA beads, and radioactivity was measured using the TopCount microplate Scintillation counter. Specific binding at each concentration of test compound was calculated by subtracting the non-specific binding measured in the presence of excess cold ligand. IC50 values were obtained by non-linear regression of specific binding versus concentration curves and Ki values were calculated using Kd values that were experimentally pre-determined for each lot of membrane preparations.
7646	2	HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay	Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xanthine (IBMX). Cells were incubated with varying concentrations of PEG-opioid conjugates and 3 uM forskolin for 30 minutes at room temperature. cAMP was detected following a two-step assay protocol per the manufacturer&#39;s instructions and time resolved fluorescence was measured with the following settings: 330 nm excitation; 620 nm and 665 nm emission; 380 nm dichroic mirror. The 665 nm/620 nm ratio is expressed as Delta F % and test compound-related data is expressed as a percentage of average maximum response in wells without forskolin. EC50 values were calculated for each compound from a sigmoidal dose-response plot of concentrations versus maximum response.
7646	4	Binding of PEG-Nalbuphine assays	Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).
7657	1	In Vitro Canine TRPM8 Functional Assay	The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensitive fluorescent dye. The changes in fluorescent signal were monitored by a fluorescence plate reader, either a FLIPR-TM (Molecular Devices) or FDSS (Hamamatsu). Increases in intracellular Ca2+ concentration were readily detected upon activation with icilin. At 24 hrs prior to assay, HEK293 cells stably expressing canine TRPM8 were seeded in culture medium in black wall, clear-base poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) and grown overnight in 5% CO2 at 37&deg; C. On assay day, growth media was removed and cells were loaded with Calcium 3 Dye (Molecular Devices) for 35 min at 37&deg; C., under 5% CO2 and then for 25 min at room temperature and atmosphere. Subsequently, cells were tested for agonist-induced increases in intracellular Ca2+ levels using FLIPR-TM or FDSS. Cells were challenged with a compound of the Formula (I) (at varying concentrations) and intracellular Ca2+ was measured for 5 min prior to the addition of icilin to all wells to achieve a final concentration that produces approximately an 80% maximal response. EC50 or IC50 values for compounds of the present invention were determined from eight-point dose-response studies. Curves were generated using the average of quadruplicate wells for each data point.
7659	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay: Test compounds were serially diluted in DMSO starting at 50 M (2x starting concentration; 10% DMSO) and 10 L transferred into a 384-well plate. Then 10 L of a protein/probe/antibody mix is added to each well at final concentrations listed in Table 1. Protein: GST-Bcl-xL; 1(nM) Probe: F-Bak (GQVGRQLAIIGDK (6-FAM)INR-amide) SEQ ID NO: 1; 100(nM) Antibody: Tb-anti-GST; 1(nM). The samples are then mixed on a shaker for 1 minute then incubated for an additional 2 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-his antibody) emission filters. Dissociation constants (Ki) were determined using Wang's equation (Wang, Z.X. An 20 exact mathematical expression for describing competitive binding of two different ligands to protein molecule. FEBS Lett. 1995 360:111-114). The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) or fetal bovine serum (FBS).
7660	1	Biochemical Kinase Assay	Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 ul per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 16 mM MgCl2, 1122 uM ATP, 4 uM peptide (5-Fluo-Ahx-KKKKEEIYFFFG-NH2, Biosyntan GmbH) and 4.5 ul per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 16 mM MgCl2, 6 nM FGFR4 (GST-FGFR4(388-802), produced in-house by expression in insect cells and affinity chromatography). Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 ul per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35).
7661	1	LanthaScreen Activity Assay	Kinase reactions were carried out at room temperature with the following components: 1× kinase reaction buffer, 5 &#956;g/mL (40 nM) Mps1 kinase, 200 nM AF-647 E4Y substrate, and 1 &#956;M ATP (Km,app<1 &#956;M). After one hour a preparation of EDTA (20 mM) and Eu-PY20 Tb-labeled antibody (4 nM) in TR-FRET dilution buffer was added. The final concentration of EDTA and Eu-PY20 in the reaction mixture is 10 mM and 2 nM respectively. The reaction mixture was incubated at room temperature for 30 minutes before being read on a plate reader configured for LanthaScreen TR-FRET.
7661	2	In Vitro Plk1Binding Assay	In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.
7661	3	In vitro Erk5 	In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.
7662	1	AlphaScreen Assay	Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 uM start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15 nM GST-BRD4-BD1 protein (aa 44-168) or 150 nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (Lys5, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 ul of the mix is added to the compound dilutions. Subsequently, 6 ul of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 ug/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer. Each plate contains negative controls where biotinylated Acetyl-Histone H4 peptide and GST-BRD4-BD1 or GST-BRD4-BD2 are left out and replaced by assay buffer.
7663	1	Inhibition Assay	 Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% bovine serum albumin (BSA)] containing 500 uM of enzyme substrate (didecanoyl glycerol) and 7.5 uM radiolabeled acyl-CoA substrate ([14C]decanoyl-CoA) was added to each well of a phospholipid-coated radiometric assay plate. A small aliquot of cell lysate having human DGAT1 activity (5 ug/well) obtained in above, of human liver microsomes having human DGAT1 activity (5 ug/well), or of mouse liver microsomes having mouse DGAT1 activity (5 ug/well) was added to the assay plate to start the reaction, and the reaction was allowed to proceed for 60 minutes at 25&deg; C. The reaction was terminated upon the addition of an equal volume (100 uL) of isopropanol. The plates were sealed, incubated overnight and counted the next morning on a liquid scintillation counter and luminometer.
7664	1	JAK Enzymatic Assay	Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk-2). Reactions were carried out in a 384-well plate (Matrical MP-101) in a 10 microliter total volume. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween-20, ATP (4 micromolar for JAK-2 and JAK-3, 40 micromolar for JAK-1 and 7 micromolar for Tyk-2)), 2% DMSO and 1 micromolar peptide substrate (JAKtide for JAK-2 and JAK-3 or IRS-1 peptide for JAK-1 and Tyk-2). Compounds were diluted serially in 100% dimethyl sulfoxide and tested in an 11 point dose response in duplicate or quadruplicate (200 nl of compound/DMSO was added per 10 microliter reaction). The reactions were initiated by the addition of enzyme to the final concentration of 2 nM JAK-2, 1 nM JAK-3, 7 nM Tyk2 or 20 nM JAK-1. The assay was run for 240 minutes for JAK-1, 150 minutes for JAK-2, 90 minutes for JAK-3 and 60 minutes for Tyk-2.
7665	1	FS-3 Assay	Autotaxin Inhibitor Screening Kits are available from Echelon Biosciences, Logan, Utah, USA [http://echelon-inc.com/, accessed 6 Oct. 2011]. Using the methods of Gierse et al [A novel autotaxin inhibitor reduces lysophosphatidic acid levels in plasma and the site of inflammation, Journal of Pharmacology and Experimental Therapeutics, vol 334(1), 310-317 (2010). The FS-3 assay to identify ATX inhibitors was preformed as follows: 3 ul of standard inhibitor (referred to as PF-8380 in Gierse et al above) and test compounds were added to an assay plate. To each assay well, containing test compounds or standard, 24 ul of human Autotaxin enzyme (2 nM) was added. The assay plate was then centrifuged at 1000 rpm for 1 minute and allowed to incubate at 37&deg; C. for 30 minutes. Following the incubation period each plate was read in a fluorescence plate reader (Spectra Max M5: excitation: 494 nm and emission: 520 nm) and IC50 values were derived from inhibition of FS-3 fluorescence (as described above).
9690	1	Enzyme Assay	Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purified with glutathione sepharose from HEK293 cell lysate 36 h following transient transfection of the appropriate cDNA constructs. Peptide kinase assays, performed in triplicate, were set up in a total volume of 40 &#956;l containing 0.5 &#956;g LRRK2 kinase (which at approximately 10% purity gives a final concentration of 8 nM) in 50 mM Tris/HCl, pH 7.5, 0.1 mM EGTA, 10 mM MgCl2, 20 &#956;M Nictide, 0.1 &#956;M [&#947;-32P]ATP ( 500 cpm/pmol) and the indicated concentrations of inhibitor dissolved in DMSO. After incubation for 15 min at 30° C., reactions were terminated by spotting 35 &#956;l of the reaction mix onto P81 phosphocellulose paper and immersion in 50 mM phosphoric acid. Samples were washed extensively and the incorporation of [&#947;-32P]ATP into Nictide was quantified by Cerenkov counting. IC50 values were calculated with GraphPad Prism using non-linear regression analysis.
10288	2	New CNS Specificity Data for AK3-238 (FA44) and AK3-99B (FA26)	Two exemplary compounds, FA44 and FA26, were screened against a panel of CNS receptors, transporters, and ion channels to examine specificity for CLC-2 in the brain. A comprehensive primary binding assay screen was performed through the NIH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill. Secondary or functional assays were performed for compounds showing >50% activity in the primary assay.
10343	1	Competition Binding Assay (ATP 10 uM) 	Compounds were tested using an 11-point curve with 3-fold serial dilutions. IC50 determinations were made using an ATP concentration of 10 uM. The highest concentration tested was 30 &#956;M. Test compounds were prepared in 100% DMSO at 100x final test concentration and were diluted to 1x in the assay with a final DMSO concentration of 1%. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 min at RT to generate affinity resins for kinase assays. The ligand-bound beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, ligand-bound affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17xPBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL . The assay plates were incubated at RT with shaking for 1 hr. The affinity bead s were washed with wash buffer (1?PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1?PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at RT with shaking for 30 min. The kinase concentration in the eluates was measured by qPCR.
10592	2	Surface Plasmon Resonance (SPR) Assay	Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at &#8722;20° C. for repeat studies and other experiments. Full length WDR5 with an N-terminal His tag and C-terminal AviTag (Avidity Inc.) was expressed in E. coli with coexpression of BirA to biotin labelled protein in vivo. Purification of the protein was performed using Ni-NTA. The purified WDR5 protein has a molecular weight of 41976 Da.SPR studies were performed using a Biacore T200 instrument (GE Health Sciences Inc.). Biotinylated WDR5 protein (approximately 3000 RU) was stably captured to streptavidin coupled SA chips according to the manufacture&#39;s protocol (GE Health Sciences Inc.). The running buffer used was HBS-EP (20 mM Hepes pH 7.4, 150 mM NaCl, 3 mM EDTA, 0.05% P-20) plus 5% DMSO with a flow rate of 40 &#956;l/min. For SPR analysis, 5 different concentrations of each exemplary compound of the application were sprayed into 96 or 384 well plates using an HP D300 digital dispenser. The concentration ranged from about 195 nM to about 12 nM in a two-fold series. Concentration ranges were adjusted higher or lower for weaker or more potent compounds respectively when necessary. For the KD determinations, single cycle kinetic analysis was performed with an on time of 60 seconds, and an off time of 300 or 600 seconds. Curve fitting and KD calculations were performed with the Biacore T200 Evaluation software (GE Health Sciences Inc).
11451	2	SARS-CoV-2 Omicron Mpro Inhibition Assay	Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78350-2) in 384-well plates. The included recombinant un-tagged Omicron Mpro (referred as 3CL protease in the kit) was tested for ability to cleave a FRET peptide substrate (DABCYL-KTSAVLQSGFRKME-EDANS) to generate a fluorescent product (SGFRKME-EDANS) over time. The final volume was 25 ml in indicated assay buffer, with final Mpro and substrate concentrations as 34 nM and 40 uM respectively. Fluorescent intensities were monitored once every 5 minutes after adding substrate into the rest of reaction mixture. Enzyme activity was represented using the initial linear slope of the kinetic curve. Compounds were first serially diluted in DMSO as 1000 working stock, then diluted in assay buffer before adding to reaction mixture following manufacture's protocol. 100 uM GC376 was used as 100% inhibition control. For no inhibition control, no compound was added. Blank wells contained buffer, substrate but no Mpro. Final 0.1% DMSO was included as vehicle no inhibition control.
11514	3	hFAP Binding Assay	Table 1: Compounds were tested in a direct binding assay using 8K surface plasmon resonance biosensor (GE Healthcare) at 20° C. Immobilization of hFAP (M39-A757) on a CMD200M sensor chip (Xantec) was performed using standard amine coupling procedure in immobilization buffer (10 mM HEPES, 150 mM NaCl, 0.05% Tween20, pH 7.4). The surface was washed with 10 mM NaOH, 1M NaCl before being activated with EDC/NHS (GE Healthcare), followed by immobilization of hFAP (in 10 mM Acetate pH 5.0). Finally, the surface was deactivated by ethanolamine. Immobilization levels of hFAP were around 4000-6000 RU. The reference spot was treated as described, omitting the injection of hFAP. Compound concentration series were injected over the immobilized protein in increasing concentrations (2-500 nM) using single cycle kinetics in running buffer (20 mM TRIS, 150 mM NaCl, 0.05% Tween20, 1% DMSO, pH 7.4).
7667	1	Spectrophotometrical Assay	FBPase activity was measured spectrophotometrically by employing the coupling enzymes phosphoglucose isomerase and glucose-6-phosphate dehydrogenase.17 The reduction of NADP+ to NADPH was monitored directly at 340 nm. Specifically, buffer (0.2 M Tris, 4 mM MgCl2, 4 mM (NH4)2SO4, 0.1 EDTA, pH 7.5), 0.2 mM of NADP+, 1.4 units of phosphoglucose isomerase and 0.5 units of glucose-6-phosphate dehydrogenase, 0-300M of inhibitor and 9 ng of FBPase, were mixed in a cuvette and equilibrated at 30° C. 70M of FBP was then added to initiate the reaction. Absdata were collected as a function of time using a JASCO V-630 spectrophotometer.
7668	1	TBK1 	The kinase assay is performed as 384-well Flashplate assay assay (for e.g. Topcount measurement. 0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (Biotin-Ah-Ah-AKPKGNKDYHLQTCCGSLAYRRR) SEQ ID NO: 2 and 10 uM ATP (spiked with 0.25 uCi 33P-ATP/well) are incubated in a total volume of 50 ul (10 mM MOPS, 10 mM Mg-acetat, 0.1 mM EGTA, 1 mM DTT, 0.02% Brij35, 0.1% BSA, pH 7.5) with or without test compound for 120 Min at 30&deg; C. The reaction is stopped with 25 ul 200 mM EDTA. After 30 Min at room temperature the liquid is removed and each well washed thrice with 100 ul 0.9% sodium chloride solution.
7668	2	IKKepsilon Flashplate Assay	The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKKepsilon, 800 nM biotinylated IkappaBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) SEQ ID NO: 1 and 10 uM ATP (spiked with 0.3 uCi 33P-ATP/well) are incubated in a total volume of 50 ul (10 mM MOPS, 10 mM Mg-acetat, 0.1 mM EGTA, 1 mM Dithiothreitol,0.02% Brij35, 0.1% BSA, 0.1% BioStab, pH 7.5) with or without test compound for 2 hours at 30&deg; C. The reaction is stopped with 25 ul 200 mM EDTA. After 30 Min at room temperature the liquid is removed and each well washed thrice with 100 ul 0.9% sodium chloride solution. Non-specific reaction is determined in presence of 3 uM MSC2119074 (BX-795). Radioactivity is measured with Topcount (PerkinElmer).
7668	3	TBK1 Cell Assay	Assay Overview: MDA-MB-468 cells are detached with HyQ-Tase, counted, and seeded into a 384-well clear bottom TC-surface plate at density of 10,000 cells per well in a total volume of 35 ul complete medium. Alternatively cells are directly seeded from frozen vials. Cells are pre-treated with inhibitor compounds for 1 h prior to Poly(I:C) stimulation. After 2 h of incubation with Poly(I:C), cells are fixed in (para)formaldehyde (PFA) and permeabilized with methanol (MeOH). The cells are then blocked and incubated with an anti-pIRF3 antibody at 4oC overnight. The primary antibody is washed off, an AlexaFluor488-conjugated secondary is added, cells are counterstained with propidium iodide followed by image acquisition on IMX Ultra high content reader.
7669	1	PDE10 Fluorescence Polarization (FP) Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAPU technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 uL. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 uL of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate.
7671	1	HTF Homologous PARP Inhibition Assay	The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 200 nM NAD+ solution was added to a 96-well round bottomed plate, followed by the addition of 1 uL of tested compounds solution, and the control of replicate wells were installed. Then 25 uL of the reaction mixture containing DNA, PARP enzyme and reaction buffer was added into each well. After incubating for 30 minutes at room temperature, 50 uL of cycling reaction mixture was added into each well and incubated in the dark at room temperature for 15 to 40 minutes. Then 50 uL of stop solution was added into each well and the fluorescence values of each well were read on an ELISA (Ex544 nm, Em590 nm).
7672	1	Kinobeads Competition Assay	Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, MV-4-11, SK-N-BE(2), and COLO 205) and nine drug doses (0, 3, 10, 30, 100, 300, 1000, 3000, 30 000 nM final concentrations). Eluted proteins were in-gel digested according to standard procedures.
7672	2	HotSpot Kinase Activity Assay	Refer to Reaction Biology Corps.
7673	1	JAK Enzyme Assay	Test compounds were solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. Compounds were diluted in DMSO to create an 11-point half log dilution series with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 in the assay, resulting in a final assay compound concentration range of 10 &#956;M to 100 pM and a final assay concentration of 1.7% DMSO. Test compounds and controls solubilized in 100% DMSO were added (250 nL) to a 384 well polypropylene plate (Matrical) using anon contact acoustic dispenser. Kinase assays were carried out at room temperature in a 15 &#956;L reaction buffer containing 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20 and 1mM Dithiothreitol (DTT). Reaction mixtures contained 1 &#956;M o
7673	2	TR-FRET Competition Assay	Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed by preparing 15 &#956;L of a 1.33&#935; solution of (final concentrations) 2 nM Eu-Ab, 1-8 nM kinase (optimal concentrations of each kinase were empirically determined) and a variable concentration of PF- 06651600, and pre-incubating this for a variable amount of time (detailed below). This was then combined this with 5 &#956;L of 4X solution of the validated probe (150 nM, final concentration). For all kinases, the following experiments were performed: (A) [PF-06651500] = 0, 4.9, 14.8, 44.4, 133.3, and 400 nM; pre-incubation time = 2 h. (B) [PF-06651500] = 0, 0.5, 1.0, 2.0, 4.0, and 8.0 &#956;M; pre-incubation time = 120 s. For JAK3, the following additional experiments were performed: [PF-06651500] = 0, 0.66, 1.98, 5.93, 17.8, 53.3, 160, 480 nM; pre-incubation time of (C) 30 s, (D) 60 s, and (E) 1.5 h. The assays were read using an EnVi
7674	1	PTP1B Inhibition Assay	Steady-state kinetic parameters were measured for PTP1B using p-nitrophenyl phosphate (pNPP, 0.5&#8722;40 mM) as the substrate in NMR buffer. The rate of reaction was calculated by monitoring the change in absorbance at 405 nm where the molar absorbance for pNPP under these conditions is 12600 M&#8722;1 cm&#8722;1. Kinetic parameters were determined by fitting the reaction rates to different inhibition models as a function of the inhibitor and pNPP concentrations using GraphPad Prism version 6.0d. The total reaction volume in all cases was 500 &#956;L, and the temperature was maintained at 25 °C using a water-regulated cuvette holder. The reaction was initiated by adding 10 &#956;L of &#8764;25 &#956;M protein for a final concentration of &#8764;0.5 &#956;M PTP1B. The concentration of CGA was varied from 0.0 to 6.6 mM by adding 100 &#956;L of serially diluted CGA in NMR buffer. The concentration of CGA was confirmed using the molar absorbance at 332 nm in ethanol (20030 M&#8722;1 cm&#
7674	2	NMR Chemical Shift Titration Assay	NMR chemical shift perturbations of PTP1B resonances due to binding of CHA and CGA were monitored by acquiring a series of 1H&#8722;15N TROSY spectra of 15N- and 2H-labeled PTP1B upon addition of increasing concentrations of CHA and CGA. For CHA, spectra were recorded at 0.00, 0.20, 0.40, 1.00, 3.00, and 5.00 mM CHA from a 150 mM CHA stock into 0.38 mM [15N,2H]PTP1B (550 &#956;L starting volume). For CGA, spectra were recorded at 0.00, 0.11, 0.21, 0.52, 1.04, 5.20, and 8.32 mM CGA using a 156 mM CGA stock titrated into 0.38 mM [15N,2H]PTP1B (550 &#956;L starting volume).
7675	1	Tryptophan Fluorescence Assay	Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 &#956;M protein in 250 &#956;L of purification buffer con- taining 0.02% DDM with or without 2 mM &#946;-mercaptoethanol was used. Protein was excited at 280 nm and 600 V and emission measured at 290&#8722;400 nm with a PTI QuantaMaster spectrofluorimeter (HORIBA Instruments, Edison, NJ). Ligand was added in aliquots until all fluorescence was quenched.
7666	1	Biological Assay	The pharmacological properties of the compounds of this invention may be confirmed by a number of biological assays.
7666	2	Transactivation Assay	The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain fragments (NICDs) to function as transcription factors in conjunction with CBF1 and other nuclear factors. Luciferase assays were used to measure the antagonism of Notch-CBF1 transcriptional activity. HeLa cervical cancer cells are transiently co-transfected with pCDNA3.1/Hygro plasmids containing truncated Notch 1, Notch 2, Notch 3, or Notch 4 receptors and a PGL3 luciferase reporter vector containing 4 copies of CBF1 binding site. The cells were then tested for Notch-CBF1 activity in the absence or presence of test compounds. HeLa cells, maintained in DMEM (high glucose with HEPES), 1× glutamine/penicillin/streptomycin and 10% Fetal Bovine serum, were transiently transfected in a T175 Flask (4.5×106 cells/flask) using the Monster Transfection Kit (Minis #MIR2906) according to manufacturers specifications.
7676	1	HIV-1 RT Inhibitory Assay	The NNRTI compound to be evaluated (NVP) was serially diluted in 50% DMSO. The reaction mixtures containing 150 nM labeled primer&#8722;template hybrid, 100 &#956;M dATP, 0.25 or 6 mM free Mg2+ (adjusted according to the concentration of dATP), and 5% DMSO were preincubated at 37 °C for 3 min in a total volume of 8.5 &#956;L of reaction buffer (see above). Twenty-five nM HIV-1 or K103N RT (at similar activities of primer extension) was preincubated with different dilutions of NVP (as noted in the figure legends) for 10 min at room temperature. Reaction was then initiated by adding the NVP/ RT mix to the primer&#8722;template hybrid. The final pH of the reactions was 7.7. After extension for 3 min, the reactions were stopped by adding 12.5 &#956;L of 2× gel loading buffer and the samples were resolved in a 16% denaturing polyacrylamide&#8722;7 M urea gel.
7670	1	Cellular A&beta;-Lowering Assay	The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v/v) fetal bovine serum, penicillin/streptomycin) to about 80% confluency and the compounds were added at a 3x concentration in 1/3 volume of culture medium (final DMSO concentration was kept at 1% v/v). After 18-20 hrs incubation at 37&deg; C. and 5% CO2 in a humidified incubator, the culture supernatants were harvested for the determination of A&beta; 40 concentrations using Perkin-Elmer Human Amyloid beta 1-40 (high specificity) Kit (Cat#AL275C).In a Perkin-Elmer White Optiplate-384 (Cat#6007290), 2 ul culture supernatants were combined with 2 ul of a 10x AlphaLISA Anti-hA&beta;Acceptor beads+Biotinylated Antibody Anti-A&beta; 1-40 Mix (50 ug/mL/5 nM). After 1 hour room temperature incubation, 16 ul of a 1.25x preparation of Streptavidin (SA) Donor beads (25 ug/mL) were added and incubated for 30 minutes in the Dark.
7677	1	[35S]GTP&#947;S Coupling Assay	For antagonist experiments, protein was preincubated with test compounds for 15 min prior to the addition of 100 nM U69,593 and [35S]GTP&#947;S. Reactions were terminated by rapid filtration using a 96-well plate Brandel cell harvester (Brandel, Gaithersburg, MD) followed by washes with ice cold water. Microscint-20 (PerkinElmer Life Sciences) was added to the plates after drying, and radioactivity was read with a TopCount NXT HTS microplate scintillation and luminescence counter (PerkinElmer Life Sciences). All compounds were run in parallel assays in duplicate for comparison.
7677	2	&#946;-Arrestin2 Assay	&#946;-Arrestin2 translocation was also studied using the PathHunter &#946;-arrestin assay in CHO-K1 cells expressing the KOR (DiscoveRx, Fremont, CA) according to the manufacturer&#39;s protocol. Cells were treated with agonist for 90 min prior toassessment of enzyme complementation. For antagonist experiments, the cells were incubated with the antagonist for 60 min prior to agonist addition. Luminescence values were obtained using a Synergy HT luminometer (BioTek, Winooski, VT). Allcompounds were run in parallel experiments in duplicate.
7678	1	In Vitro ANT(2")-Ia Pyrophosphatase Assay	In vitro ANT(2")-Ia pyrophosphatase assays were performed as described previously (Cox et al., 2015; Hirsch et al., 2014), with minor modifications. To improve compound solubility, Tween 20 was added to a final concentration of 0.01% (v/v) and compounds were added at a final concentration of 2% (v/v) DMSO. The enzyme (1 mg per 100 mL reaction volume) was incubated with compound for 10 min at 25 °C, prior to initiation of the reaction with nucleotide. All inhibitory assays were performed with kanamycin B kept at Km (Cox et al., 2015; Hirsch et al., 2014).
7679	1	PHGDH Enzyme Assay	To evaluate the effects of compounds on PHGDH activity, compounds were first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7.1, 400 mM KCl, 5 &#956;M phosphopyridoxa (PLP), 0.5 mM &#945;-ketoglutarate, 150 &#956;M NADH, 1 mM DTT) for 10 min at 25&#8451;, then the reaction was started by adding L-phospho-O-serine (Pser). Each compound was dissolved in DMSO at a final concentration of 5%,which did not affect the assay signal. Fluorescence signals were recorded for 3 min with a kinetics mode program using on a plate reader (Synergy, Biotek).
7679	2	PHGDH SPR Assay	The binding affinities of compounds towards PHGDH were assayed using the SPR-based Biacore T200 instrument (GE Healthcare). PHGDH was immobilized on a CM5 sensor chip by using standard amine-coupling at 25&#8451; with running buffer PBS-P (20 mM phosphate buffer, 2.7 mM NaCl, 137 mM KCl, 0.05% surfactant P-20, pH 7.4), respectively, as described previously. A reference flow cell was activated and blocked in the absence of PHGDH. In the direct binding experiments between PHGDH and compounds, PHGDH immobilization level was fixed at 800 response units (RU), and then different concentrations of compounds containing 5% DMSO were serially injected into the channel to evaluate binding affinity. Regeneration was achieved by extended washing with the running buffer after each sample injection.
7680	1	In Vitro PARP1 Activity Assay	Inhibition of PARP1 was assessed using the Universal Chemiluminescent PARPKit. Luminescence readings were normalized to controls and fit to a sigmoidaldose-response curve using GraphPad Prism 6 to determine IC50 values.
7680	2	H6PD Activity Assay	HEK293 H6PD-OE and HEK293 pellets were lysed and the lysate was quantified with the Bradford protein assay. Reaction mix containing galactose-6-phosphate (Gal6P) was combined with increasing concentrations of PARPi or DMSO. As an additional control, reaction mix without substrate was combined with HEK293 H6PD-OE lysate. Lysate from HEK293 or HEK293 H6PD-OE was added to each well to start the reactions. The absorbance at 340 nM (NADPH) was measured for 90 min at 10 min intervals. The 60 min data, which were within the linear range, was used for analysis. Background absorbance was subtracted and the H6PD activity of theHEK293 H6PD-OE lysates treated with PARPi was normalized to the DMSO control.
7682	1	In Vitro Aurora A Activity Assay (DiscoverX)	Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v) DMSO, and 2.3 nM Aurora A Inhibitor was added to the mixture, and the reaction was initiated by the addition of 75 uM ATP and 2 mM peptide substrate. All kinetic assays were performed in 384-well plates using a Wallac Envision 2102 plate reader (Perkin Elmer).
7682	2	In Vivo Aurora A inhibitory Assay ( MDA-MB-468)	Specifically, MDA-MB-468 cells (American Type Culture Collection) were maintained in Dulbecco's modified Eagle's medium (DMEM) plus 10% fetus bovine serum (FBS) (Invitrogen, US) at 37&deg; C., 5% CO2. The cells were plated in 6 cm dishes at a density of 2x105 cells/dish. Cells were then treated with the compounds (0-10 uM); DMSO was used as a negative control and 0.5 uM VX-680 (Tozasertib) (Selleck Chemical LLC) was used as a positive control. Cells were harvested after 2 h of treatment and processed for SDS-PAGE and western blotting as described previously (Gizatullin et al., "The Aurora kinase inhibitor VX-680 induces endoreduplication and apoptosis preferentially in cells with compromised p53-dependent postmitotic checkpoint function" Cancer Res. (2006) 66 (15):7668-77). After electro-transfer onto nitrocellulose membranes, the membranes were blocked at room temperature for 1 h with TBS containing 5% (w/v) milk and then washed with a mixture of TBS containing 0.2% Tween 20 (Sigma). The membranes were then gently shaken at 4&deg; C. overnight with anti-phospho histone H3 (Ser 10) antibody (9701, Cell Signaling), and anti-GAPDH monoclonal antibody (E10086CF, Covance) diluted in TBS containing 5% BSA. The membranes were then incubated with HRP conjugated anti-rabbit or anti-mouse IgG antibody (Jackson ImmunoResearch Lab.) at room temperature for 1 h followed by washing with Tween 20-PBS. The membranes were washed again with PBS and developed with the ECL system (PerkinElmer) as described previously (Berndt et al., "The Akt activation inhibitor TCN-P inhibits Akt phosphorylation by binding to the PH domain of Akt and blocking its recruitment to the plasma membrane." Cell Death Differ. (2010) 17(11):1795-804).
7682	5	Enzyme Inhibition Assay	The phosphorylation of L-Hse was monitored by coupling the formation of ADP with pyruvate kinase and lactate dehydrogenase (PK/LDH). The resulting oxidation of NADH was monitored at 340 nm by using a SpectraMax plate reader in a 96-well format.
7682	4	Protein Crystallography Inhibitory Activity Assay	Aurora A was exchanged into 50 mM phosphate buffer (pH 7.4) including 1 mM DTT via PD-10 columns and was concentrated to 20 mg mL-1 using Amicon Ultra-4 10K centrifugal devices (Millipore; Billerica, Mass.). Aurora A crystals were grown using sitting drop vapor diffusion at 18&deg; C. from a 1:1 volume ratio of Aurora A and reservoir solution (200 mM sodium tartrate/20% polyethylene glycol 3350 for the DFG-in inhibitors or 10% Tacsimate/20% polyethylene glycol 3350 for the DFG-out inhibitors) with a final inhibitor concentration of 1 mM. Crystals appeared after two days and were allowed to grow for another 2 days. For data collection, crystals were harvested in a cryoprotectant mixture consisting of the respective reservoir composition including 1 mM inhibitor, 50 mM phosphate pH (7.4) and 25% (v/v) ethylene glycol.
7682	3	 Isothermal titration calorimetry (ITC)	The binding of inhibitors to Aurora A kinase was analyzed with a MicroCal iTC200 titration calorimeter (GE Healthcare, Piscataway, N.J.). The protein was exchanged into 100 mM Na/K phosphate (pH 7.4) via PD-10 columns (GE Healthcare Lifesciences; Piscataway, N.J.). A total of 18 aliquots (2.2 uL each) of the protein solution (125 uM) were injected into 200 &#956;L of the inhibitor solution (10 uM) at 25° C. The ITC cell mixture was constantly stirred at 1000 rpm and recorded for 120 seconds between injections. Heat generation due to dilution (blank) was determined in a separate experiment by diluting protein into buffer. The corrected heat values were fitted using a nonlinear least square curve-fitting algorithm (Microcal Origin 7.0) to obtain the stoichiometry (n), binding constant (Ka, Kd).
7684	1	Raf IC50 Assay	Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-resolved fluorescence energy transfer assay. The assay was carried out in reactions (10 uL) containing 0.0625 nM B-Raf or 0.5 nM C-Raf, 25 mM Tris pH7.4, 10 mM MgCl2, 0.5 mM EGTA, 0.5 mM Na3BO4, 5 mM beta-glycerophosphate, 0.01% Triton X-100, 2.5 mM DTT, 0.1% BSA, 0.1 mM ATP, 13.7 nM GST-tagged MEK1 (Full-length protein with K97R mutation, recombinant protein purified from bacterial expression system) and 0-5 uM compounds disclosed herein (final concentration of 1% DMSO). The enzyme was incubated with the compounds at room temperature for 60 minutes and the reactions were initiated by the addition of ATP and GST-MEK1. After incubating at room temperature for 60 minutes, an equal volume of stop buffer containing 25 mM Tris pH7.4, 400 mM KF, 50 mM EDTA, 0.01% BSA, 0.01% Triton X-100, 1 test of Eu3+ Cryptate-conjugated rabbit polyclonal antibody anti-Phospho MEK1/2 (Ser217/221) and 1 test of d2-conjugated mouse monoclonal antibody anti-glutathione S-transferase was added to stop the reactions. Plates were sealed and incubated at room temperature for 2 hours, and then the TR-FRET signals were read on BMG PHERAstar FS instrument. The IC50 for each compound was calculated by non linear regression by Graphpad Prism software.
7686	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1.times.HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30.degree. C. for 30 min Compounds were added to a final assay volume of 100 ul and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 ul lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN.sub.3) and 50 ul detection solutions (20 uM mAb Alexa700-cAMP 1:1, and 48 uM Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated.
7687	1	Radioligand Binding Assay	Radioligand binding was performed using filtration or scintillation proximity assay (SPA) technology. SPA assays were done at room temperature in 10 mM HEPES pH 7.4, 1 mM EDTA containing 2 mM MnCl2 and 16 nM [3H]-PGD2 (PerkinElmer, Waltham, Mass.) (164 Ci mmol-1), in a final volume of 0.05 mL. Competing ligands were diluted in dimethylsulfoxide and added using very low volumes (500 nL). The reaction was initiated by the addition of a mixture of 3.52 ug of membrane protein prepared from a human embryonic kidney (HEK)-hCRTH2 cell line adhered to 140 ug of wheatgerm agglutinin SPA beads (PerkinElmer). Total and non-specific binding were determined in the absence and the presence of a CRTH2 antagonist, respectively. The reaction was routinely conducted for 60 minutes at room temperature followed by centrifugation for 5 minutes at 1000 RPM. The radioactivity was measured with a TopCountNXT (PerkinElmer). Filtration binding assays were done in a similar way with minor differences. The assay volume was 0.20 mL and competing ligands in dimethylsulfoxide were added in 2 uL. [3H]-PGD2 was used at 0.6 nM, and reactions were initiated by the addition of 10 ug of membrane protein. Reactions were terminated by filtration through GF/C filter plates (PerkinElmer) presoaked in 10 mM HEPES. After washing with buffer, plates were dried in a 50&deg; C. oven for 1 h, scintillation cocktail was added and radioactivity was measured. Results determined using the SPA-based assay were similar to those from the filtration binding assay.
7688	1	In Vitro DAAO Enzyme Assay	Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 ul portion of assay buffer was added to the wells of a 384 clear base black-walled plate (Corning), 5 ul of diluted compound was then added via automated plate to plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 ul of human DAAO enzyme and then 5 ul D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 ul Amplex red reagent (Invitrogen) was added to all wells as per manufacturer's protocol. The plate was incubated for 60 minutes in the dark at 25&deg; C., and the fluorescence in each well was measured in the Envision plate reader.
7689	1	In Vitro Agonist Binding Assay	Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol/mg membrane protein with 5-HT2c receptor background were prepared. Cells were grown in DMEM/F-12 medium supplemented with 5% fatal bovine serum, 50 ig/mL geneticin, and 50 ig/mL hygromycin B in a humidified atmosphere of 5% CO2 until they reached confluence. Cells were harvested by centrifugation (800 g for 5 min) and homogenized using a polytron homogenizer (Polytron, CH-6010 Kreiens-Lu, Brinkman Instrument, Westbury, N.Y.) in buffer containing 20 mM HEPES, pH7.4, 3 mM MgCl2, and a cocktail of protease inhibitors (Sigma-Aldrich, St. Louis, Mo.) at 1:2000 dilution. The homogenate was centrifuged (Beckman Optima LE80K Ultracentrifuge) at 100 000 g for 15 min at 4&deg; C. The pellet was suspended in the same buffer and recentrifuged. The final pellet was suspended in assay buffer containing 20 mM HEPES, pH 7.4, 3 mM MgCl2, 100 mM NaCl, and a mixture of protease inhibitors and stored at -70&deg; C. Protein concentration was determined by detergent compatible colorimetric assay using DC Protein Assay Reagents as recommended by the manufacturer (Bio-Rad, Hercules, Calif.).
7690	1	Cathepsin Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide. Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DDT 5 mM. Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat LSubstrate (20 uM): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem). Z=Benzyloxycarbonyl. AMC=7-Amino-4-Methyl-Coumarin. Final volume: 100 uL. Excitation 360 nm, Emission 465 nm. Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
7691	1	Fluorescence Quench Assay	The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing the ectodomain of BACE1, 25 &#956;l water containing the desired 2-fold concentration of test compound and 2% DMSO, 1 &#956;M substrate peptide, 20 mM NaOAc, pH 4.4, and 0.04% Triton-X100 in a total assay volume of 50 &#956;l in a 384 well plate. In general, 25 &#956;l of compound dilution were added to the plate followed by the addition of 10 &#956;l of BACE1 containing OptiMEM diluted 1:10 in water with 0.2% Triton X-100. The reaction was started with the addition of 15 &#956;l substrate in NaOAc buffer. The reaction was incubated at rt (dark) in an Envision multilabel reader (Perkin Elmer) and the cleavage of the substrate was recorded as kinetic for 60 min at ex: 485 nm, em: 538 nm. Blank wells containing no enzyme were included on each plate.
7681	1	DHFR Inhibition Assay	IC50 values were determined following a standard method that has been described previously (Reeve et al., 2014, 2016).
7692	1	CA Inhibition Assay	CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhibitors with aryl substitutions in the para position of the benzene ring.
7693	1	Inhibitor Competition Assay	Following transfection of HEK293 cells with pBJ5-HDAC1 wild type or mutant plasmids, [Weerasinghe et al., J. Med. Chem. 51:5542-5551; Wambua et al., J. Med. Chem. 57:642-650] as described above, cells were grown for 48 h and then subsequently treated with SAHA (10 uM in growth media containing DMEM, 10% FBS, 1% antibiotic/antimycotic, and <2% DMSO) for another 24 h before harvesting. Cells (20 x 1^06) were lysed in lysis buffer (500 uL; 50 mM Tris-Cl at pH 8.0, 150 mM NaCl, 10% glycerol, and 0.5% triton-X100) containing 1x protease inhibitor cocktail (GenDEPOT) at 4 &deg;C for 30 min with rotation. The supernatant was collected using centrifugation at 13.2 x 10^3 rpm for 10 min at 4 &deg;C. Prior to immunoprecipitation, anti-FLAG agarose beads (20 uL bead slurry) were washed with cold TBS (tris buffered saline; 20 mM Tris-Cl at pH 8.0, 150 mM NaCl) two times with spinning at 5000 rcf for 1 min at 4 &deg;C. Wild type or mutant HDAC proteins were immunoprecipitated using the prewashed anti-FLAG agarose beads by incubating at 4 &deg;C overnight with rotation. For inhibitor competition experiments, SHI-1:2 (10 uM in lysis buffer) or tubastatin (10 uM in lysis buffer) was included during immunoprecipitation. After immunoprecipitation, beads were washed three times with lysis buffer (1 mL), and bound proteins were eluted by incubating for 30 min at 4 &deg;C using 3x FLAG peptide (APEXBIO; 50 uL; 0.25 mg mL in TBS). The eluted proteins were mixed with 4x SDS loading dye (25 uL; 100 mM Tris-Cl at pH 6.8, 4% SDS, 20% glycerol, 0.008% bromophenol blue, and 10% v/v &beta;-mercaptoethanol), separated by 10% SDS-PAGE, and visualized with Sypro Ruby total protein stain (Molecular Probes) according to the manufacturer's instructions.
7694	1	Fluorescence Polarization (FP) Assay	Assay buffer (25 &#956;L, 20 mM HEPES at pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg mL&#8722;1 BGG) was added to a 96-well plate (black well, black bottom) followed by the desired compound at the indicated final concentrations in DMSO (1% DMSO final concentration). Subsequently, 10 nM recombinant cGrp94/Hsp90&#945; and 6 nM FITC-GDA were added in 50 and 25 &#956;L assay buffer respectively, resulting in a 100 &#956;L final volume. Plates were incubatedfor 5 h at 4 °C on a rocker. Fluorescence was determined using excitation and emission filters of 485 and 528 nm, respectively. Percent FITC-GDA bound was determined by assigning the DMSO millipolarization unit (mP) value as the 100% bound value and 0% for FITC-GDA in assay buffer without any protein.
7695	2	HTS assay	To determine the effectiveness of an individual antagonist, taste tests were performed with a T2R8 specific agonist, the compound of interest and a reference bitter blocker. We have previously described a good hT2R8 antagonist that was proven to have taste effect. It was shown to reduce bitterness of coffee by itself and in combination with a Broad spectrum bitter blocker.
7696	1	Human Neutrophil Elastase Assay	Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bachem (Cat. No.: I-1270). All other materials were of the highest grade commercially available.The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 uL, of these compound dilutions were mixed with 10 uL Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 uL, substrate solution in assay buffer were added (250 uM final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths. Each plate contains wells with a high value control (DMSO+enzyme+substrate) and wells with a low value control (DMSO+inactivated enzyme+substrate). IC50 values were estimated using a sigmoidal concentration response curve with variable slope.
7697	1	Neutrophil Elastase Assay	Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bachem (Cat. No.: I-1270). All other materials were of the highest grade commercially available. The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 uL of these compound dilutions were mixed with 10 ul Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 uL substrate solution in assay buffer were added (250 uM final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths. Each plate contains wells with a high value control (DMSO+enzyme+substrate) and wells with a low value control (DMSO+inactivated enzyme+substrate). IC50 values were estimated using a sigmoidal concentration response curve with variable slope.
7697	2	Cytochrome P450 2C9 Inhibition Assay (Diclofenac)	The inhibition of cytochrome P450 2C9-isoenzyme catalysed hydroxylation of Diclofenac by the test compound is assayed at 37&deg; C. with human liver microsomes. All assays are carried out on a robotic system in 96 well plates. The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), human liver microsomes (0.1 mg/ml), Diclofenac (10 uM) and the test compound at five different concentrations or no compound (high control) in duplicate (e.g. highest concentration 10-50 uM with subsequent serial 1:4 dilutions). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8&deg; C. and subsequently by addition of one volume of acetonitrile.
7697	3	Cytochrome P450 2C9 Inhibition Assay (Mephenytoin)	The inhibition of cytochrome P450 2C19-isoenzyme catalysed hydroxylation of Mephenytoin by the test compound is assayed at 37&deg; C. with human liver microsomes. All assays are carried out on a robotic system in 96 well plates. The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), human liver microsomes (0.5 mg/ml), (S)-Mephenytoin (70 uM) and the test compound at five different concentrations or no compound (high control) in duplicate (e.g. highest concentration 10-50 uM with subsequent serial 1:4 dilutions). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8&deg; C. and subsequently by addition of one volume of acetonitrile.
7697	4	Cytochrome P450 2C9 Inhibition Assay (Amodiaquine)	The inhibition of cytochrome P450 2C8-isoenzyme catalysed deethylation of Amodiaquine by the test compound is assayed at 37&deg; C. with human liver microsomes. All assays are carried out on a robotic system in 96 well plates. The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), human liver microsomes (0.05 mg/ml), Amodiaquine (1 uM) and the test compound at five different concentrations or no compound (high control) in duplicate (e.g. highest concentration 10-50 uM with subsequent serial 1:4 dilutions). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8&deg; C. and subsequently by addition of one volume of acetonitrile.
7698	1	Chip Based Microfluidic Mobility Shift Assay	All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8-point serial dilutions of staurosporine as reference compound, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. Between pipetting steps, tips were cleaned in wash cycles using wash buffer. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 ul per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 1 mM MgCl2, 3 mM MnCl2, 4 uM ATP, 4 uM peptide (5-Fluo-Ahx-GAPDYENLQELNKK-Amid) (purchased from Biosyntan, Berlin, Germany) and 4.5 ul per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 1 mM MgCl2, 3 mM MnCl2, 4 nM Syk (Syk(2-635) (UniProtKB/Swiss-Prot: KSYK_HUMAN, P43405), produced in-house from insect cells). Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 ul per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology.
7699	1	MKNK1 Kinase High ATP Assay	For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 uL of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 uL of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 uL assay volume is 2 mM) and substrate (0.1 uM=>final conc. in the 5 uL assay volume is 0.06 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22&deg; C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in tthe linear range, typical concentrations were in the range of 0.003 ug/mL. The reaction was stopped by the addition of 5 uL of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
7700	1	In-vitro Plasma Kallikrein Inhibition	Enzymatic reactions were conducted in assay buffer , comprising 50 mM Hepes/NaOH at pH 7.8, 150 mM NaCl, 1 mM EDTA and 0.05% (w/v) CHAPS. For the determination of IC50 values, the assays were performed at room temperature in 384-well plates with a total assay volume of 25.25 ul per well. The test compound was dissolved in 90% (v/v) DMSO/water. For the assays, 250 nL of the 90% (v/v) DMSO/water solution or compound solution were added per well, followed by the addition of 12.5 ul protease solution (protease in assay buffer). The final assay concentration of the human plasma kallikrein was nominally 25 pM, the 11 compound concentrations in the dilution series were in the range form 1 nM to 100 uM. After 1 hour of pre-incubation at room temperature, the reactions were started by the addition of 12.5 ul substrate solution (in assay buffer, final assay concentration was 0.5 uM). After the addition of the substrate solution, the final DMSO concentration in the assay was 0.9% (v/v).
7701	1	Glycogen Synthase Activity Assay	To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test compounds at various concentrations, and 10 mM glucose-6-phosphate (Sigma-Aldrich Corporation, G7879) was added by 12 uL/well. Next, a substrate solution containing 30 mM glycylglycine (pH 7.3), 4.3 mg/mL of glycogen (Sigma-Aldrich Corporation, G8876), 21.6 mM UDP-glucose (Sigma-Aldrich Corporation, U4625), 21.6 mM phosphoenolpyruvic acid (Sigma-Aldrich Corporation, P0564), and 4.05 mM NADH (Sigma-Aldrich Corporation, N8129) was added by 18 uL/well. Further, an enzyme solution containing 50 mM Tris-HCl (pH 8.0), 27 mM DTT (Nacalai Tesque, Inc., 14128-04), 0.2 mg/mL of bovine serum albumin, 0.17 mg/mL of the glycogen synthase, 1.5 uL of a pyruvate kinase/lactate dehydrogenase solution (Sigma-Aldrich Corporation, P0294) was added by 18 uL/well to prepare a reaction solution. After the reaction solution was incubated (at 30&deg; C. for 25 minutes for Examples 1 to 10, at 37&deg; C. for 20 minutes for Examples 11 to 75), the absorbance at 340 nm was measured using Benchmark Plus (Bio-Rad Laboratories, Inc.).
7702	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 &#956;M final concentration). Final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM
7704	1	B-RAF (V600E) Kinase Assay	In a dilution series 10 uL/well of test substance solution are placed in a multiwell plate. The dilution series is selected so that generally a range of concentrations of 2 uM to 0.119 nM or 0.017 nM is covered. If necessary the initial concentration of 2 uM is changed to 50 uM, 10 uM or 0.4 uM or 0.2857 uM and further dilution is carried out accordingly. The final concentration of DMSO is 5%. 10 uL/well of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase (e.g. from Upstate) in 20 mM Tris-HCl pH 7.5, 0.1 mM EDTA, 0.1 mM EGTA, 0.286 mM sodium orthovanadate, 10% glycerol, 1 mg/mL bovine serum albumin, 1 mM dithiothreitol) and the mixture is incubated for 1 h at RT under with shaking. The kinase reaction is started by the addition of 20 uL/well ATP solution [final concentration: 250 uM ATP, 30 mM Tris-HCl pH 7.5, 0.02% Brij, 0.2 mM sodium orthovanadate, 10 mM magnesium acetate, 0.1 mM EGTA, phosphatase cocktail (Sigma, #P2850, dilution recommended by the manufacturer)] and 10 uL/well MEK1 solution [containing 50 ng biotinylated MEK1 (prepared from purified MEK1 according to standard procedure, e.g. with EZ-Link Sulpho-NHS-LC-Biotin reagent, Pierce, #21335)] and carried out for 60 min at RT with constant shaking. The reaction is stopped by the addition of 12 uL/well of a 100 mM EDTA solution and incubation is continued for a further 5 min. 55 uL/well of the reaction solution are transferred into a streptavidin-coated plate (e.g. Streptawell HighBond, Roche, #11989685001) and shaken gently for 1 h at RT, in order to bind biotinylated MEK1 to the plate. After elimination of the liquid the plate is washed five times with 200 uL/well of 1 PBS and 100 uL/well solution of primary antibody plus europium-labelled secondary antibody [Anti Phospho-MEK (Ser217/221), Cell Signaling, #9121 and Eu-N1 labelled goat-anti-rabbit antibody, Perkin Elmer, #AD0105] is added, the primary antibody is diluted 1:2000 and the secondary antibody is diluted to 0.4-0.5 ug/mL in Delfia Assay Buffer (Perkin Elmer, #1244-111). After 1 h shaking at RT the solution is poured away and washed five times with 200 uL/well Delfia Wash Buffer (Perkin Elmer, #4010-0010/#1244-114). After the addition of 200 uL/well Enhancement Solution (Perkin Elmer, #4001-0010/#1244-105) the mixture is shaken for 10 min at RT and then measured in a Wallac Victor using the program "Delfia Time Resolved Fluorescence (Europium)". IC50 values are obtained from these dosage-activity curves using a software program (GraphPadPrizm).
7705	1	HDAC Enzyme Assay	Fluorescence readings were carried out on a CytofluorR Series 4000 fluorescence multiwell plate reader (Perspective Biosystems). Stock solutions of the HDAC inhibitor (10 mM) and substrates (10 mM) were freshly prepared in DMSO. The buffer for all experiments was 25 mM Tris/Cl (pH 8.0), 137 mM NaCl, 2.7 M KCl, and 1 mM MgCl2. To avoid loss of enzyme activity through repeated freeze/thaw cycles, aliquots of HDAC1 and HDAC6 were prepared and stored at -80 &deg;C, and recombinant HDAC7 enzyme was freshly prepared. The enzyme was diluted with buffer to a final concentration of 0.005 ng/ul, and enzyme assays were carried out in 50-ul reaction volumes. Developer solution was used as described for HDAC1 by the supplier, and was added after 30-min incubation at 37 &deg;C. The final substrate concentration was 50 uM. Bovine serum albumin was used at 100 ug/ml.
7707	1	DNA Methylation Assay	Assays (0.1 ml) were conducted in 96-well black half-area plates in either a Wallac VICTOR2 or Biotek Synergy Neo plate reader at 37 °C in 10 mM Tris, pH 7.5, 100 mM potassium glutamate, 1 mM MgCl2, 1 mM DTT, 0.1 mg/ml BSA, and 5% glycerol. Assays contained varying amounts of oligonucleotide 8006 (5'-FAM-CCTATGCGmCATCAGTTTTCTGATGmCGmCATAGG-3'-Iowa Black, in which mC denotes 5-methyldeoxycytidylate residues (Integrated DNA Technologies, Coralville, IA), AdoMet (HPLC-purified, Sigma), and small molecule inhibitors (5-azaC, Sigma; SGI-1027, generous gift of Dr. Jian Jin, University of North Carolina; LCA, TCI America). Other anthraquinone compounds examined were purchased from ChemBridge Corp, San Diego, CA (UI1055 is N,N-diethyl-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide; UI1060 is ethyl N-{[1-(butylthio)-9,10-dioxo-9,10-dihydroanthra-cen-2-yl] carbonyl}glycinate; UI1061 is 1-(butylsulfonyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid) and Sigma (anthraquinon and anthraquinone 2-carboxylic acid). All assays were conducted in triplicate and contained either human Dnmt1 (621-1600), human Dnmt1 (351-1600), human Dnmt3a (590-912), or M.SssI methyltransferase (New England Biolabs) and 0.8 units of Gla I (Sibenzyme, West RoxRoxbury, MA), except for the Gla I control assay, which did not contain a methyltransferase. Data were fitted using Prism (GraphPad Software, Inc).
7708	1	Thioflavin-T (Th-T) Fluorescence Assay	Fluorescence intensity was measured at 420 nm excitation and 485 nm emission using a microplate reader (MPR-A4 II; TOSOH, Tokyo, Japan, or Fluoroskan Ascent; Thermo Scientific, Rockford, IL). In brief, A&beta;42 was dissolved in 0.1% NH4OH at 250 uM, and each flavonoid was dissolved in EtOH at 5 mM, followed by dilution with sodiumphosphate-buffered saline (PBS: 50 mM sodium phosphate and 100 mM NaCl, pH 7.4) at the desired concentration (A&beta;42, 25 uM; flavonoids, 50 uM). NaIO4 or Tris(2-carboxyethyl)phosphine hydrochloride (TCEP-HCl) was initially dissolved in PBSat 100 mM, then diluted with PBS at 100 uM before use. Experiments under an anaerobic condition were performed in a desiccator evacuated by a diaphragm pump (about 8mmHg; KNF Lab LABOPORT vacuum pump, KNF Neuberger, NJ) at room temperature. Unless otherwise noted, the concentrations of A&beta;42, flavonoids, and oxidant/reductant used in this study were 25, 50, and 100 uM, respectively.
7709	1	UV-Visible Titration Assay	All UV-visible spectra were measured on a Varian Cary 50 spectrometer with temperature control from a Peltier cooler. The holo-enzyme was titrated in 0.1M potassium phosphate buffer starting at pH 6.8, 25 &deg;C, and finishing at pH 5.1 or 10.2. Each titration was conducted in a 2-ml cuvette with the protein at ~8 uM heme-containing monomer, where the heme concentration was determined via the pyridine hemochrome assay. Solutions were continuously stirred, and the pH was monitored using a pH meter with a glass electrode (Corning, pH 430). Small volumes of HCl (1 M) or NaOH (1 M) were added to the solution; the pH was measured, and UVvisible spectra were recorded. All spectra were adjusted for dilution.
7709	2	Fluorescence Titration Assay	Titrations using fluorescence spectroscopy were carried out on a Jobin Yvon Horiba FluoroMax-3 fluorimeter in scanning mode. Apo-HemQ (5 &#956;M) was diluted in 0.1 M potassium phosphate buffer, pH 6.8, and titrated with stocks of heme (1 mM in0.1 M NaOH) and protoporphyrin IX (1 mM in DMSO) each diluted to 500 &#956;M at 25 °C.
7710	1	Substrate Binding Assay	The interaction of 3HB6H (25 uM) with substrate analogs was studied in 50 mM Tris-SO4 (pH 8.0). Dissociation constants (Kd) of enzyme-substrate complexes were determined from flavin absorption difference spectra essentially as described elsewhere [Montersino et al., Biochim. Biophys. Acta, 1824:433-442].
7706	1	GHS Ligand Binding Assay	Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 at its N terminus and a ghrelin peptide labeled with FITC (JMV 4946). Titration experimentswere carried out with protein concentrations in the 10 nM protein concentration range and increasing ligand concentrations. Competition experiments were carried out by adding increasing concentrations of the competing compound to a receptor-JMV 4946 mixture (100 nM concentration range). Fluorescence emission spectra were recorded at 20 °C between 400 and 600 nm on a Cary Eclipse spectrofluorimeter (Varian) with an excitation at 346 or 488 nm. Buffer contributions were systematically subtracted. The FRET ratio corresponds to the ratio of theacceptor-emitted fluorescence at 520 nm from excitation attwo different wavelengths, 346 and 488 nm.
7711	1	Optical Titration Assay	Dissociation constants (Kd values) for binding of the substrates N-palmitoylglycine (NPG) and omeprazole (OMP) to WT and mutant BM3 heme domains were determined by UVvisible absorption titrations using ~1-4 &#956;M protein in 100mMKPi, pH 7.0, at 25 °C (assay buffer) in 1-cm path length quartz cuvettes and as in our previous studies. Spectra were recorded for substrate-free enzymes and following addition of ligands during substrate titrations (typically 800 to 250 nm). Titrations were recorded until no further spectral changes were observed in the P450s.
7712	1	Beta-Lactamase Enzyme Inhibition Assay	For the measurement of &beta;-lactamase inhibitory activity, 100 uM (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% DMSO, 10 ug/mL bovine serum derived albumin (Sigma-Aldrich) and 50 mM phosphate buffer at pH 7.0 were used as a reaction solution. To each well of a 96-well plate were added test compounds (compounds shown in Table 14) and AmpC (final concentration 0.5 nM), followed by pre-incubation at 30&deg; C. for 10 minutes. Nitrocefin was added to each well to be mixed therein, followed by incubation at 30&deg; C. for 20 minutes, and Multiskan Ascent (Thermo Fisher Scientific) was used to measure 492 nm wavelength, thereby measuring nitrocefin hydrolytic activity of AmpC, to determine enzyme inhibitory activity.
7713	1	Inhbition Assay	Compounds of the Examples 1 to 3 were assayed for V79-Human-CYP11B2 and V79-Human-CYP11B1 by modifying the protocol described in J. Steroid Biochem. Mol. Biol. 81; 173-179 (2002). V79MZh11B1 and V79MZh11B2 cells (8x105 cells/well) were grown on 24-well culture plates until confluence. Before testing, the DMEM culture medium was removed and 450 ul of fresh DMEM containing the inhibitor was added to each well. After a preincubation step of 60 min at 37&deg; C., the reaction was started by the addition of 50 ul of DMEM in which the substrate deoxycorticosterone (containing 0.15 uCi of [1,2-3H]-deoxycorticosterone in ethanol, final test concentration 100 nM) was dissolved. Incubation times were 25 min for V79MZh11B1 and 50 min for V79MZh11B2 cells at 37&deg; C., respectively. The enzyme reactions were stopped by extracting the supernatant with ethyl acetate. Samples were centrifuged (10.000 g, 5 min) and the solvent was pipetted into fresh cups. After evaporation of the solvent, the steroids were redissolved in 40 ul of methanol (50:50, v/v) and analyzed by HPLC. Detection and quantification of the steroids were performed using a radioflow detector.
7714	1	In Vitro CYP Inhibition Assay	P450 enzyme inhibition was measured using human cDNA-expressed CYP3A4, 2D6, 2C19, 2C9, and 1A2 recombinant enzymes and fluorogenic substrates (coumarin analogues) that are converted to fluorescent products. The analogues utilized for each isoenzyme are as follows: 7-benzyloxy-trifluoromethylcoumarin, (BFC) for 3A4; 3-[2-(N,N-diethyl-N-methyl amino)ethyl]7-methoxy-4-methylcoumarin, (AMMC) for 2D6; 3-cyano-7-ethoxycoumarin, (CEC) for 2C19 and 1 A2; and 7-methoxy-4-trifluoro-methylcoumarin, (MFC) for 2C9. These substrates were utilized at a single concentration (either 50 uM or 75 uM) at or near the apparent Km for each substrate. Fluorescence intensity was measured using a Wallac 1420 Victor3 Multi-label Counter Model (PerkinElmer, Wellesley, Mass.), with an excitation wavelength filter of 405 nm, and an emission filter of 460 nm (535 nm for the 3A4 and 2C9 substrates). Compound stocks (10 mM in a 4:1 ratio of acetonitrile:DMSO) were tested in this study using an 8-point dose response curve in duplicate (ranging from 0.15 uM-20.0 uM). The concentration of acetonitrile was kept constant at 0.4%, and the reaction was carried out at 37&deg; C. for 30 minutes.
7715	1	Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay	Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 uM to 0.003 uM final compound concentration). 1 ul of these compound dilutions and 1 ul of Bodipy labeled fatty acid 4.5 uM in 100% DMSO (Bodipy FL C11, cat. no. D3862, Invitrogen) were sequentially pipetted in wells of 384-well black polypropylene plates (Thermo Matrix cat. no. 4344). FABP4 or FABP5 protein was then added (28 ul of 64 nM protein in 25 mM Tris pH 7.5, 0.4 mg/ml &gamma;-globulin, 1 mM DTT, 0.012% NP40, final protein concentration: 50 nM). Assay blanks contained ligand, but no protein. Neutral controls contained ligand, but no compound. After adding the detection reagent (Tb antiHis6 antibody, Columbia Biosciences, TB-110, 6 ul of a 24 nM Ab solution in 25 mM Tris pH 7.5, 0.4 mg/ml &gamma;-globulin, final Tb antiHis6 Ab concentration: 4 nM), plates were spun one minute at 1000 rpm. Following an incubation at room temperature with shaking for 30 minutes, plates were read using an Envision reader (Perkin Elmer, Extinction wavelength: 340 nm, Emission: 490 nm and 520 nm, time delay: 100 us; time window: 200 us, 50 flashes). Final assay conditions were: 50 nM FABP protein, 125 nM Bodipy labeled fatty acid, 0.009% (vol/vol) NP40, 5.5% (vol/vol) DMSO in a total final assay volume of 36 ul. The assay was performed in triplicate.
7716	1	Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS. Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMV-EGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1&alpha; peptide corresponding to residues 556-574 is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 uM), 2-oxoglutarate (3.2 uM), HIF-1&alpha; (8.6 uM), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 uL of reaction mixture to 50 uL of a mass spectrometry matrix solution (&alpha;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 Hz repetition rate).
7716	2	ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 &#956;L of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.). 
7717	1	Inhibitory Assay	A substrate of synthetic peptide (Nma-KHPFHLVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotometer before staring an enzymatic reaction (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Recombinant human renin was added and the mixture was incubated at 37° C. for 1 hour, and the fluorescence intensity was measured after the reaction using a fluorophotometer (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Renin activity was evaluated on the ground of fluorescence intensity which was obtained by deduction of the intensity before the reaction from the intensity after the reaction, and 50% inhibitory concentration (IC50) was calculated from renin activities under the existence of various concentration of the test compound. 
7718	1	EP3 Radioligand SPA Binding Assay	Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 uL of each compound was added to appropriate wells of a 384-well plate (Matrix Cat #4322). Unlabeled PGE2 (Tocris Cat #2296) at a final concentration of 1 uM was used to determine non-specific binding. 1 uL of 100% DMSO (J. T. Baker #922401) was used to determine total binding. Millipore EP3 Chem1 membranes (prepared in-house from cell paste derived from the Millipore ChemiSCREEN Human Recombinant EP3 Prostanoid Receptor Calcium-Optimized Stable Cell Line (Millipore Cat #HTS092C. http://www.millipore.com/catalogue/item/hts092c)) were thawed and diluted in binding buffer (50 mM Hepes pH 7.4 (Lonza Cat #17-737), 5 mM MgCl2 (Sigma-M1028), and 0.1% BSA (Sigma A-7409)) to a final concentration of 1 ug/25 uL. 25 uL of diluted membranes were added to prepared compound plates. WGA coated PVT SPA Beads (Perkin Elmer Cat #RPNQ0060) were diluted in binding buffer to a concentration of 4 ug/ul, and 25 uL of the SPA bead mixture was then added to each well for a final assay concentration of 100 ug/well. [3H]-PGE2 (Perkin Elmer Cat #NET428) was diluted in binding buffer to a concentration of 3.375 pM, and 25 uL was added to all wells for a final assay concentration of 1.125 nM. Plates were incubated for 30 minutes at r.t. (approximately 25&deg; C.) with shaking. Radioactivity associated with each well was measured after a 10 hour incubation using a Wallac Trilux MicroBeta plate-based scintillation counter and a normalized protocol at 1 minute read/well.
7719	1	Spectrophotometric 384 Well Assay	Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction. Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/ml BSA, 3.75 mM reduced L-glutathione, 15 U/ml lactate dehydrogenase, 0.5 mM phosphoenolpyruvate, 15 U/ml pyruvate kinase, compounds at different concentrations at final DMSO concentrations of 1%.The enzymatic reaction is then started by addition of a mixture of NADH, acetylCoenzyme A (both 2000 f.c.) and ATP (500 uM f.c.). The decrease of the optical density (slope S) is then determined at 25° C. at a wavelength of 340 nm over 15 minutes in a spectrophotometric reader.
7720	1	Biological Assay	The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art. Antagonist constants are determined as follows. The compounds of the present invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO dhfr- cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif.) are treated with various concentrations of antagonists of compounds and the Ca2+ response is monitored on a FLIPR384 (Molecular Devices, Sunnydale Calif.) for agonist activity. 
7721	1	HDAC Enzyme Assay	The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 uM final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 uM (HDAC1), 10 uM (HDAC2), 17 uM (HDAC3) and 14 uM (HDAC6). Five ul of compounds and 20 ul of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five u1 of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated.
7722	1	In Vitro AMPK Activation Assay	The in vitro AMPK activation assay is performed in a volume of 30 &#956;l in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by adding 15 &#956;l of 2× enzyme in assay buffer (20 mM HEPES, pH 7.3, 5 mM MgCl2, 3 mM DTT, 0.01% Brij 35 and CamK Kinase, to activate AMPK) to wells which contained either DMSO or compound. The reaction was initiated with the addition of 15 &#956;l 2× substrate mixture containing 200 &#956;M ATP, and 3.0 &#956;M fluorescently labeled SAMS (5-FAM-HMRSAMSGLHLVKRR-COOH) in assay buffer. After 45-minute incubation at 25° C., the reaction was stopped by the addition of 70 &#956;l stop buffer (100 mM HEPES, pH 7.3, 40 mM EDTA, 0.015% Brij 35). Phosphorylated 5-FAM SAMS product is assessed using a Caliper EZ Reader LabChip microfluidics reader. Product conversion is determined by calculating the peak heights of the substrate and product and reporting the product/(product+substrate) peak ratio.
7723	1	VKOR Activity Assay	Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter<sub>-1</sub> of total proteins containing membrane VKORC1. The reaction was started by the addition of vit K1>O solution in 1% Triton X-100 and incubated at 37 &deg;C for 30 min. In these conditions, the reaction was linear according to the time of incubation and the quantity of incubated proteins. After incubation at 37 &deg;C for 30 min, the reaction was stopped by adding 4 ml of iced 1:1 isopropyl alcohol/hexane solution. After centrifugation at 5000 x g for 10 min, the hexane layer was removed and driedunder nitrogen. The dry residue was immediately dissolved in 0.2 ml of isopropyl alcohol, and the reaction product was analyzed by liquid chromatography-mass spectrometry.
7724	1	POX Assay	POX reactions were conducted in 2 ml of filtered and degassed 50 mM Tris-HCl, pH 8.0, containing 50 mM NaCl, 0.1 mM H2O2, 4.5 mM guaiacol, and the indicated concentrations of heme essentially as described previously [Yuan et al., Proc. Natl. Acad. Sci. USA., 103:6142-6147; Mbonye et al., J. Biol. Chem., 281:35770-35778].
7725	1	LanthaScreen Kinase Binding Assay	This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is detected using a europium-labeled anti-tag antibody that binds to the purified recombinant tagged Itk protein. Binding of the tracer 236 is reversible and rapid, and simultaneous binding of the tracer and antibody results in fluorescence resonance energy transfer (FRET). Displacement of the tracer upon inhibitor binding results in a decrease of FRET. The assay can be read continuously, enabling rates of binding (and displacement) to be monitored.
7726	1	Equilibrium Dialysis	Equilibrium dialysis was performed using purified recombinant CtBP proteins (10 &#956;M) in binding buffer (25 mM Tris-Cl, 100 mM NaCl, 1 mM EDTA, 5% glycerol, 1 mM DTT) on one side of a 10-kDa molecular mass cutoff membrane with either [adenine-2,3-3H]NAD+ or [4-3H]NADH in varying concentrations from 12 nM to 50 &#956;M at 4 °C for 48 h.
7727	2	Isothermal Titration Calorimetry (ITC)	Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer containing 50 mM HEPES (pH 7.5), 6 mM MgCl2, 150 mM NaCl, and 1 mM tris(2-carboxyethyl)phosphine (pH 7.0). After protein dialysis was complete, dialysis buffer was used to dissolve the ligands, IP, and AMP-PNP (Jena Bioscience). Titration experiments were performed at 25 &deg;C with 100 uM IPK1 and1mM AMP-PNP in the cell and 1-2 mM IP in the syringe to ensure a final IP:IPK1 molar ratio of at least 2:1. Titration experiments were performed at least twice for each IP, and one set was chosen to represent data.
7728	1	Enzymatic HDAC Activity Assay	Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction contained 5 ul of 2x HDAC inhibitor, 4 ul of 2.5x enzyme, and 1 ul of 10x substrate in assay buffer (100 mM HEPES, pH 7.5, 25 mM KCl, 0.1% BSA, 0.01% Triton X-100, 1% DMSO). Final concentration of all HDACs in the enzymatic assays was between 0.5 and 5 nM. A final substrate concentration of 1 uM FAM-RHKK(Ac)-NH2 or FAM-RHKK(trifluoroacetyl)-NH2 was used in all assays and found to be below the determined Km,app for each enzyme. All inhibitors were serially diluted in DMSO prior to cross-dilution in assay buffer and were incubated with enzyme for 15 min prior to initiating the reaction by the addition of substrate. After incubation for 3 h, the reaction was terminated by the addition of EDTA and SDS to final concentrations of 24 mM and 0.04%, respectively. The product and substrate in each reaction were separated using a 12-sipper microfluidic chip (Caliper Life Sciences, Hopkinton, MA) run on a Caliper LC3000 (Caliper Life Sciences). The separation conditions used a downstream voltage of -800V, an upstream voltage of -3000 V, and a screening pressure of -1.4 p.s.i. The product and substrate fluorescence was excited at 488 nm and detected at 530 nm.
7728	2	Proteros Reporter Displacement Assay	Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HDAC1 or 50 nM HDAC2 in reaction buffer (25 mM Tris, pH 8.0, 1 mM DTT, 150 mM NaCl, 0.01% Tween 20) and reporter probes at concentrations equal to their binding affinity (Kd). Probe binding was monitored for 240 min (4 h) with measurements recorded every 8 min. The decay rate of probe displacement was used to quantify the association rate constant for test inhibitors.
7729	1	Helicase Assays	Standard helicase reaction mixtures (20&#956;l) containing 5 fmol of the indicated TP-G4 or OX-1-G2&#39; DNA substrates or forked duplex DNA substrate (0.25 nM DNA substrate concentration), 1mM ATP, and the indicated concentrations of the specified helicase were as previously described for FANCJ [Wu et al., Mol. Cell. Biol., 28:4116-4128] and DDX11 [Wu et al., J. Biol. Chem., 287:1007-1021]. Helicase reactions for XPD and DinG were performed in buffer that contained 20mM Tris-HCl (pH 8.0), 10mM KCl, 1mM dithiothreitol, 5mM MgCl2, and 100 &#956;g/ml BSA. Reactions were performed at 37 °C for 15 min in the presence of 1 mM ATP, the DNA substrates mentioned above, and the indicated helicase protein concentrations. Forthe unimolecular Poly(A) Zic1-G4 DNA substrate, helicase reactions were performed in reaction buffer containing a 20-fold excess of peptide-nucleic acid complementary oligonucleotide [Giri et al., Nucleic Acids Res., 39:7161-7178]. G4 helicase reactions were terminated by th
7730	1	Z'-LYTEBiochemical Assay	IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme format, according to the manufacturer's protocol (Z'-LYTE biochemical assay, Invitrogen).
7731	1	MS-Based Biochemical Assay	The PRP4 phosphorylation reaction was performed at room temperature with 15 nM full-length His-tagged PAK4 recombinant protein expressed in Escherichia coli (from American Research Products, Inc.), saturating concentration of ATP (2 mM), and 2.3 nM PRP4 enzyme kinase domain in an assay buffer containing 8 mM MOPS, pH 7.5, 10 mM MgCl2, and 1 mM DTT in a total volume of 100 &#956;l for 1 h. Samples with PAK4 protein in reaction buffer alone without the presence of PRP4 kinase and PAK4 protein with PRP4 kinase-dead mutant were used as negative controls. For measuring Compound A potency against PRP4 using PAK4 as substrate, Compound A ranging from 0.5 nM to 1 &#956;M was preincubated with PRP4 for 30 min at room temperature before the reaction was initiated with PAK4 protein substrate. Compound dilution (3-fold) was prepared in 100% DMSO and diluted 1:100 into the final reaction. After a 60-min incubation at room temperature, the reaction was terminated with formic acid (1% final).
7732	1	Isothermal Titration Calorimetry (ITC)	Isothermal titration calorimetry (ITC) measurements were performed at 25 &deg;C using an iTC200 calorimeter (MicroCal). Preparations of purified protein were dialyzed against buffer containing 50 mM NaCl and 50mM Tris, pH 7.5, overnight at 4 &deg;C. The concentration of PA4794 used ranged from 55 to 456 uM, and the final concentrations of ligands used exceeded the protein concentration by a factor of 1.5 to 3.
7733	1	Isothermal Titration Calorimetry (ITC)	Isothermal titration calorimetry experiments were performed using an iTC200 (GEHealthcare) at 25 °C, with 15-20 &#956;M ClpC1 (in 20 mM Tris-HCl, pH 7.5, 300 mM NaCl, 1 mM EDTA, 1 mM Tris(2-carboxyethyl) phosphine, 9% DMSO) in the sample cell. Typically, 19 injections of 2 &#956;l of 150-200 &#956;M CymA1 solution in the same bufferwere injected into the sample cell at 2.5-min intervals.
7734	1	Activation Assay	Using an sGC&alpha; 1 gene (NCBI accession No. BC028384.2) and an sGC&beta;1 gene (NCBI accession No. BC047620.1), an N-terminal FLAG tag-fused sGC&alpha;1 and an sGC&beta;1 expression baculovirus were prepared. These viruses were transfected into insect cells Sf9 (Cat. No. 11496-015, Gibco) to express a protein. From the cell lysates of the insect cells, heterodimers of the N-terminal FLAG tag-fused sGC&alpha;1 and sGC&beta;1 were purified with an M2 Affinity Gel (Sigma-Aldrich, Inc.) to obtain a human sGC.An Example compound was dissolved in DMSO and diluted 20-fold with ultrapure water. 2 uL of the diluted Example compound solution (maximum concentration of 100 uM), 2 uL of a substrate solution [0.5 uM triethanolamine buffer solution, 0.03 uM dithiothreitol, 0.01 uM GTP, 0.04 uM MgCl2, and 0.03 uM sodium nitroprusside (SNP)], and 6 uL of a human enzyme suspension were added to 384-well plates (manufactured by Greiner Bio-One), and incubated at room temperature for one hour. The measurement of the amount of cGMP was carried out, using an HTRF reagent (Cisbio).
7735	1	Fluorometric Assay	A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 uM; kcat=75 s-1; kcat/Km=1.5x106 M-1s-1. A typical reaction contains approximately 50 pM enzyme, 50 uM Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 uL. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 uM AMC is produced in 30 minutes at 25 degrees C. The enzyme used in these studies was soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system (Bac-To-Bac, Gibco BRL). The kinetic constants for hydrolysis of Gly-Pro-AMC and GLP-1 were found to be in accord with literature values for the native enzyme. To measure the dissociation constants for compounds, solutions of inhibitor in DMSO were added to reactions containing enzyme and substrate (final DMSO concentration is 1%). All experiments were conducted at room temperature using the standard reaction conditions described above.
7736	1	XIAP BIR3 & cIAP1 BIR3 Binding Assays (DELFIA)	BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% TritonX100) for one hour at room temperature in the presence of inhibitory compounds. The assay mixture was transferred to a strepatvidin coated plate and incubated for one hour at room temperature to allow binding of the biotinylated peptide and associated BIR3 domains to the plate. After several washing steps Eu labeled anti-GST antibody (e.g. Perkin Elmer DELFIA Eu-N1-antiGST AD0250) was added to detect BIR3 domain-SMAC peptide interactions according to Perkin Elmer's instructions. Briefly, the antibody was added (dilution 1:5000 in Perkin Elmer DELFIA Assay Buffer 2013-01) and incubated for one hour. After 3 washing steps using Delfia Washing Buffer (Perkin Elmer DELFIA Wash 2013-05), Enhancement Solution (Perkin Elmer Enhancement Asolution 2013-02) was added and incubation continued for 10 minutes. Time resolved Europium fluorescence was measured in a Wallac Victor using Standard assay settings.
7737	1	Radio ABL1 (64-515) Assay	For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-diluted with 10 uL of ATP (20 uM ATP with 0.1 uCi [&gamma;-33P]-ATP) with the phospho-acceptor peptide poly[Ala6Glu2LysHBr5Tyr1]=polyAEKY) in 20 mM Tris/HCl pH 7.5, 1 mM DTT, 10 mM MgCl2, 0.01 mM Na3VO4, 50 mM NaCl. 10 uL of enzyme (ranging between 5 nM to 20 nM) was added to initiate the reaction. Pre-incubation of enzyme with compounds (when stated) was performed by exposing the enzyme to compounds prior to addition of the substrate mixture (ATP and/or peptide substrate). After 15 mM at room temperature, the reaction was stopped by the addition of 50 uL 125 mM EDTA, and the peptide-bound 33P separated on filter-plates (PVDF or MAIP; Millipore, Volketswil, Switzerland) prepared according to the manufacturer's instructions. Filter-plates were washed 3x with 0.5% H3PO4, followed by addition of 30 uL scintillation cocktail (Microscint, Perkin Elmer) per well and then analysed in a TopCount NXT scintillation counter (Perkin Elmer).
7737	2	Caliper ABL 	The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 uL per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 4 uM ATP, 4 uM peptide (FITC-Ahx-EAIYAAPFAKKK-NH2)) and 4.5 uL per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 3.5 nM ABL (ABL(64-515), produced in-house from E. coli)). Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 uL per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology.
7737	3	Cellular Proliferation Assay	Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-well plates using the Janus Liquid Dispenser (PerkinElmer). Compound was delivered to the assay plates containing 2500 cells in a 50 &#956;L volume via Acoustic delivery from an ATS-100 (EDC). For Ba/F3-BCR-ABL1-WT cell assays, 2 nL of each compound dilution was transferred to the assay plate for final assay concentrations of 0.4 &#956;M, 0.13 &#956;M, 0.044 &#956;M, 0.015 &#956;M, 0.005 &#956;M, 0.001 &#956;M, 0.00033 &#956;M, 0.00011 &#956;M, 0.000037 &#956;M, 0.000012 &#956;M. For Ba/F3-WT and Ba/F3-BCR-ABL1-T315I cell assays, 50 nL of each compound dilution was transferred to the assay plate for final assay concentrations of 10 &#956;M, 3.33 &#956;M, 1.11 &#956;M, 0.37 &#956;M, 0.12 &#956;M, 0.041 &#956;M, 0.014 &#956;M, 0.0046 &#956;M, 0.0015 &#956;M, 0.00051 &#956;M.Cells were incubated at 37° C. in a humidified environment with 5% car
7738	1	Enzyme Assay	The kinase assay was carried out as 384-well FlashPlate assay. As test plates 384-well streptavidine coated FlashPlate microtitre plates from Perkin Elmer (USA) were used. The components of the kinase reaction were pipetted into the assay plate. 4.5 nM of GST tagged human recombinant RON kinase (Life technologies), 500 nM of biotinylated peptide substrate RDILDREYYSVQQHRH-amide (autophosphorylation site derived peptide substrate, custom-made) and 2 &#956;M of ATP (with 0.5 &#956;Ci of <33>P-ATP/well) were incubated in a total volume of 50 &#956;l (50 mM of HEPES, 5 mM of MgCl2, 2 mM of DTT, 0.1% of BSA, 0.01% Igepal CA630, 1% DMSO, pH 7.5) in the presence or absence of test substance (10 concentrations) at 22 [deg.] C. for 30 min. The reaction was stopped using 50 &#956;l of 200 mM EDTA solution. After incubation for a further 80 min at room temperature, the supernatants were removed by suction, and the wells were washed three times with 100 &#956;l of 0.9% NaCl solution each time. 
7739	1	BACE-1 Inhibition Assay	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Activity was measured using a final concentration of 3 uM of the fluorescence-quenched substrate Q-C(HSO3)-Ile-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca, where Q=2-nitro-5-amino benzoic acid and Mca=7-methoxy-4-coumarinyl acetic acid. Catalytic turnover was monitored in a Spectramax Gemini fluorescence plate reader (Molecular Devices) in black 96-well microplates using excitation/emission wavelength of 325 nm and 400 nm, respectively. Fluorescence increase was followed for 15 min, in 1 minute's intervals.
7739	2	BACE-2 Inhibition Assay	Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Activity was measured using a final concentration of 3 uM of the fluorescence-quenched substrate Q-C(HSO3)-Ile-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca, where Q=2-nitro-5-amino benzoic acid and Mca=7-methoxy-4-coumarinyl acetic acid. Catalytic turnover was monitored in a Spectramax Gemini fluorescence plate reader (Molecular Devices) in black 96-well microplates using excitation/emission wavelength of 325 nm and 400 nm, respectively. Fluorescence increase was followed for 15 min, in 1 minute's intervals.
7740	1	JAK2 Enzymatic Assay	The assay has been performed using the commercial available JAK2 kinase domain (Invitrogen, Eugene, Oreg.). The JAK2 kinase domain showed a linear kinetic without prephosphorylation. The JAK2 kinase assay was run with a final enzyme concentration of 1 nM, in the presence of 60 uM ATP, 3 nM 33P-&gamma;-ATP and 64 uM of substrate BioDBn*306 (Aminoacid sequence: LPLDKDYYWREPGQ SEQ ID NO: 1). The peptidic substrate was purchased from American Peptide Company (Sunnyvale, Calif.). Specific JAK2, JAK1 or JAK3 peptide substrates are trans-phosphorylated by JAKs kinase in the presence of ATP traced with 33P-&gamma;-ATP. At the end of the phosphorylation reaction, the unreacted ATP, cold and radioactive, is captured by an excess of Dowex ion exchange resin that eventually settles by gravity to the bottom of the reaction plate. The supernatant is subsequently withdrawn and transferred into a counting plate that is then evaluated by 3-counting.
7740	2	JAK3 Enzymatic Assay	The assay has been performed using the JAK3 kinase domain (residues 781-1124 of the 1124 amino acid long full-length sequence, accession number P52333 of UniProtKB/Swiss-Prot databse). The JAK3 kinase domain showed a linear kinetic without prephosphorylation. The JAK3 kinase assay was run with a final enzyme concentration of 1 nM, in the presence of 22 uM ATP, 1 nM 33P-&gamma;-ATP and 40 uM of substrate BioDBn*306 (Amino acid sequence: LPLDKDYYWREPGQ-SEQ ID NO: 1). The peptidic substrate was purchased from American Peptide Company (Sunnyvale, Calif.).
7740	3	MPS1 Kinase Activity Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-&gamma;-ATP, and in the presence of their own optimal buffer and cofactors. At the end of the phosphorylation reaction, more than 98% unlabeled ATP and radioactive ATP is captured by an excess of the ion exchange dowex resin; the resin then settles down to the bottom of the reaction plate by gravity. Supernatant is subsequently withdrawn and transferred into a counting plate, then evaluated by &beta;-counting. The buffer for MPS1 assay was composed of HEPES 50 mM, at pH 7.5, with 2.5 mM MgCl2, 1 mM MnCl2, 1 mM DTT, 3 uM Na3VO4, 2 mM &beta;-glycerophosphate and 0.2 mg/mL BSA. The assay was run with a final concentration MPS1 of 5 nM, in the presence of 15 uM ATP and 1.5 nM 33P-&gamma;-ATP; the substrate was P38-tide, used at 200 uM.
7740	4	PIM1 Activity Assay	Dowex Resin Preparation 500 g of wet resin (SIGMA, custom prepared resin DOWEX 1x8 200-400 mesh, 2.5 Kg) are weighed out and diluted to 2 L in 150 mM sodium formate, pH 3.00.The resin is allowed to settle down (some hours) and then the supernatant is discarded.After three washes as above over a couple of days, the resin is allowed to settle and two volumes (wrt the resin volume) of 150 mM sodium formate buffer are added.The pH is then measured and should be around 3.00.The washed resin is stable for more than one week; the stock resin is kept at 4&deg; C. before use. ii. Kinase Buffer (KB)The buffer for PIM1 assay was composed of HEPES 50 mM, at pH 7.5, with 10 mM MgCl2, 1 mM DTT, 3 uM NaVO3, and 0.2 mg/mL BSA.Full-length human PIM1 was expressed and purified as described in Bullock A N, et al., J. Biol. Chem. 2005, 280, 41675-82.The enzyme showed a linear kinetic after a step of pre-activation by auto-phosphorylation in the following conditions: 1.7 uM PIM1 was incubated 1 h at 28&deg; C. in the presence of 125 uM ATP.
7740	5	PIM2 Activity Assay	Kinase Buffer (KB) The buffer for PIM2 assay was composed of HEPES 50 mM, at pH 7.5, with 1 mM MgCl2, 1 mM DTT, 3 uM Na3VO4, and 0.2 mg/mL BSA.Full-length human PIM2 was expressed and purified as described in Fedorov O, et al., PNAS 2007 104, 51, 20523-28.ii. Assay Conditions (Final Concentrations)Enzyme concentration=1.5 nMAktide substrate (Chemical Abstract Service Registry Number 324029-01-8)=5 uMATP=4 uM 33P-gamma-ATP=1 nMiii. Robotized Dowex AssayThe test mix consisted of: 1) 3x Enzyme mix (done in Kinase Buffer 3x), 5 uL/well 2) 3x substrate and ATP mix (done in ddH2O), together with 33P-gamma-ATP, 5 uL/well 3) 3x test compounds (diluted into ddH2O-3% DMSO)-5 uL/well.
7741	1	Fluorescence Polarization (FP) Assay	Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Winooski, Vt.). The fluorescence polarization (FP) was measured at room temperature with an excitation wavelength at 485 nm and an emission wavelength at 535 nm. The FP saturation experiment was performed in an assay buffer of 137 mM of NaCl, 2.7 mM of KCl, 10 mM of Na2HPO4, 2 mM of KH2PO4, 100 ug/mL of bovine gamma globulin, and 0.01% Triton-X 100. The final reaction volume is 100 uL. The competitive FP assays used 2.5 nM of Tcf4 fluorescence tracer, 10 nM of &beta;-catenin, and different concentrations of the tested inhibitors in 100 uL of assay buffer. Each assay plate was covered black and gently mixed on an orbital shaker for 3 h to reach equilibrium before polarization values were read. For each inhibitor competition assay, the negative controls (equivalent to 0% inhibition) refer to 2.5 nM of Tcf4 fluorescence tracer and 10 nM of &beta;-catenin, but no tested peptide inhibitor was presented. The positive controls (equivalent to 100% inhibition) refer to only 2.5 nM of Tcf4 fluorescence tracer in a final volume of 100 uL.
7741	2	AlphaScreen Assay	Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (Biotek, Winooski, Vt.) with a sensitivity setting of 200 using AlphaScreen protocol with excitation at 680 nm and emission at 570 nm. All dilutions were made in 1× assay buffer containing 25 mM HEPES (pH 7.4), 100 mMNaCl and 0.1% BSA to minimize nonspecific interactions. For inhibitor competition experiment, 5 nM of C-terminal biotinylated Tcf4 45-mer, 20 nM of N-terminal His6-tagged &#946;-catenin and inhibitors at different concentration were incubated in 20 &#956;L of assay buffer for 2 h. Donor and acceptor beads were added to a final concentration of 10 &#956;g/mL in 25 &#956;L of assay buffer. The mixture was incubated at room temperature for 1 h. For each inhibitor competition assay, the negative controls (equivalent to 0% inhibition) refer to 5.0 nM of biotinylated Tcf4 45-mer, 20 nM of &#946;-catenin, 10 &#956;g/mL donor and acce
7742	1	Fluorescence Polarization (FP) Assay	In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence, and a reverse primer corresponding to nucleotides 2406-2413 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716). Amplification with Easy-A polymerase (Stratagene, La Jolla, Calif.) was 95&deg; C. for 2 minutes followed by thirty three cycles of 95&deg; C. for 40 seconds, 55&deg; C. for 30 seconds, and 72&deg; C. for 2 minutes 48 seconds. Final extension was 72&deg; C. for 7 minutes. The PCR product was TA cloned into pcDNA3.2-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. AD293 cells with 70-80% confluency were transiently transfected with human PDE10A2/pcDNA3.2-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10x5 sec pulses) in a buffer containing 20 mM HEPES, 1 mM EDTA and protease inhibitor cocktail (Roche). Lysate was collected by centrifugation at 75,000 xg for 20 minutes. Supernatant containing the cytoplasmic fraction was used for evaluation of PDE10A2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 uL.
7743	1	PIK3alpha Activity Assay	1. Preparation of test reagents{circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT);{circle around (2)} 4x kinase solution (added PI3K a kinase to 1x kinase buffer to provide 4x kinase solution with a final concentration of 1.65 nM);{circle around (3)} 2x substrate solution (added the substrates of PIP2 and ATP into 1x kinase buffer to provide 2x substrate solution with PIP2 final concentration of 50 uM and ATP final concentration of 25 uM);{circle around (4)} 4x test substance solutions (100x test substance solutions with different concentration gradients were prepared using 100% DMSO, and diluted 25-fold with 1x kinase buffer to give 4x test substance solutions with different concentration gradients);{circle around (5)} Invitrogen's activity test kit with the test solution was kept stand to room temperature. 2. 2.5 uL of 4x test solution was added to a 384-well plate in parallel; 3. added 2.54 uL of 4x kinase solution and incubated for 10 min; 4. then added 5 uL of 2x solutions of PIP2 and ATP substrates and incubated for 1 h at room temperature; 5. finally, added 10 uL of test solution to quench the reaction, and read after 15 min; 6. IC50 value was obtained via curve fitting. Inhibition rate (%)=(sample value-minimum)/(maximum-minimum)x100.
7743	2	mTOR Activity Assay	1. Preparation of test reagents {circle around (1)} 1x kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl, 0.01% Tween-20, 2 mM DTT); {circle around (2)} 4x kinase solution (added mTOR kinase to 1x kinase buffer to provide 4x kinase solution with a final concentration of 2.5 nM); {circle around (3)} 2x substrate solution (added the substrates of 4EBP1 and ATP into 1x kinase buffer to provide 2x substrate solution with 4EBP1 final concentration of 50 nM and ATP final concentration of 10.8 uM); {circle around (4)} 4x test substance solutions (100x test substance solutions with different concentration gradients were prepared using 100% DMSO, and diluted 25-fold with 1x kinase buffer to give 4x test substance solutions with different concentration gradients) {circle around (5)} preparation of test solution (test solution containing EDTA and 4EBP1 phosphorylated antibody was prepared using activity test kit with assay buffer, the final concentration of EDTA was 8 mM, and the final concentration of 4EBP1 phosphorylated antibody was 2 nM) 2. 2.5 uL of 4x test solution was added to a 384-well plate in parallel; 3. added 2.54 uL of 4x kinase solution and incubated for 10 min; 4. then added 5 uL of 2x solutions of 4EBP1 and ATP substrates and incubated for 1 h at room temperature; 5. finally, added 10 uL of test solution to quench the reaction, and read after 60 min; 6. IC50 value was obtained via curve fitting.
7744	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 ul assay volume).
7745	1	Sodium-Dependent Glucose Transporter (SGLT) Assay	The SGLT activity is measured as sodium-dependent 14C-AMG uptake in the above cell lines described as follows. One hundred uL of culture medium containing 30,000 cells are seeded to each well of a 96-well BioCoat poly-D-lysine plate (Becton Dickson) and cultured at 37&deg; C. overnight. The culture medium is aspirated and cells are washed twice with 200 uL of Reaction Buffer (140 mM NaCl, 2 mM KCl, 1 mM CaCl2, MgCl2, and 14 mM N-2-hydroethylpiperrazine-N'-2-ethanesulfonic acid (Hepes), pH 7.5). The excess buffer is tapped out onto paper towels. Thirty-five uL of Reaction Buffer are added to each well. Five uL of a 10% dimethylsulfoxide (DMSO) in Reaction Buffer containing varying concentrations of test compound or no compound as a control, is dispensed into the each well. The reaction is initiated by adding 10 uL of 14C-AMG in Reaction Buffer to make a final concentration of 4 uM. The plate is incubated at 37&deg; C. for 125 minutes. The reaction is terminated by aspirating off Reaction Buffer and then washed three times with 200 uL of ice cold Reaction Buffer. Manual aspiration is applied to ensure the complete removal of Reaction Buffer. Ten uL of 0.1 N NaOH is added to each well and then 100 uL of Supermix scintillation cocktail (PerkinElmer) is added. After mixing, the scintillation signal in the plate is counted in a MicroBeta (PerkinElmer). A ten-dose response curve is fitted to an empirical four-parameter model using ActivityBase (ID Business Solution) to determine the inhibitor concentration at half-maximal inhibition (IC50).
7746	1	Isothermal Titration Calorimetry (ITC)	All ITC experiments were performed using a Microcal VP-ITC microcalorimeter (GE Healthcare). All samples were prepared in a buffer containing 20 mM HEPES (pH 7.0) and 100 mM NaCl. The syringe was filled with 0.5 mM histidine that was injected into the ITC cell containing 20 &#956;M protein (D1, D2, or HisJ) solution at 30 °C. The heat of dilution was measured separately by injecting titrant into the ITC buffer and was shown to be negligible.
7747	1	CYP Activity Assay	Inhibition of hepatic cytochromes P450 was assessed in human liver microsomes using a substrate-specific approach of monitoring metabolites formed by each specific CYP enzyme. Metabolic reactions included phenacetin-O-deethylation (1A2), tolbutamide methylhydroxylation (2C9), S-mephenytoin 4'-hydroxylation (2C19), dextrome-thorphan-O-deethylation (2D6), and testosterone-6-&beta;-hydroxylation (3A4). Each substrate was added at a concentration less than or equal to the Km for themetabolic pathway, and microsomal protein concentrations and assay incubation times were optimized for each reaction to ensure linear metabolite formation based on initial rates (Table 1). Microsomes were suspended in phosphate buffer and incubated at 37 &deg;C in the presence of probe substrates. Reactions were initiated by the addition of an NADPH-regenerating buffer system and were quenched at the appropriate times using acetonitrile. Samples were centrifuged and concentrations of metabolites assessed by LC/MS.
7747	2	CYP51 Inhibition Assay	Briefly, the reaction mixture contained 1 uM CYP51, 2 uM cytochrome P450 reductase, 100 uM dilauroyl-alpha-phosphatidylcholine, 0.4 mg/ml isoctrate dehydrogenase, and 25mM sodium isocitrate in 20mM MOPS (pH 7.4), 50 mM KCl, 5 mM MgCl2, and 10% glycerol. After the addition of the 3H-radiolabeled sterol substrate (~2000 cpm/nmol, final concentration 50 uM) the mixture was preincubated for 5 min at 37 &deg;C in a shaking water bath (GCA Precision Scientific). The reaction was initiated by the addition of 100 uM NADPH and stopped by extraction of the sterols with ethyl acetate. The reaction products were dried, dissolved in methanol, and analyzed by a reverse-phase HPLC system (Waters) equipped with a beta-RAM detector (INUS Systems, Inc.) using a Nova-Pak C18 column (particle size 4 uM, 3.9 x 150 mm) and a linear gradient consisting of water:acetonitrile:methanol (1.0:4.5:4.5) (solvent A) and methanol (solvent B) at a flow rate of 1 ml/min. Under these conditions the retention time for eburicol, obtusifoliol, and lanosterol was 26, 23, and 25 min, respectively. The retention time for the reaction intermediates, 14alpha-alcohol and 14alpha-aldehyde derivatives of obtusifoliol (30) (as seen in Fig. 3, L. infantum CYP51), was 10 and 12 min, respectively.
7748	2	[3H]TBZOH Binding Assay	Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH (American Radiolabeled Chemicals, St. Louis, MO; 6 Ci/mmol, and Vitrax Radiochemicals, 20 Ci/mmol) at room temperature. The reaction was stopped after 20 min by dilution in ice-cold buffer with 125 uM tetrabenazine and was filtered through 0.22-um GSWP filters (Millipore) presoaked with 125 uM tetrabenazine. Nonspecific binding measured in the presence of 125 uM tetrabenazine was subtracted from the total binding levels.
7748	1	[3H]Serotonin Uptake Assay	The uptake assay was performed in reaction buffer containing 140 mM K2-tartrate, 10 mM Tricine, 10 mM Tris, and 5 mM MgCl2, pH 8.5. Liposomes (1 &#956;l) were diluted into 200 &#956;l of reaction buffer with 50 nM valinomycin and the indicated concentrations of the radiolabeled serotonin, usually 100 nM [3H]serotonin (PerkinElmer Life Sciences). Nonspecific accumulation of [3H]serotonin was measured in the presence of 5 &#956;M reserpine or 15 &#956;M nigericin and subtracted from the total transport. The reaction was stopped at the indicated time points by dilution of the mixture in 2 ml of ice-cold buffer and filtered on 0.22-&#956;m GSWP (Millipore) filters. Radioactivity was measured using liquid scintillation.
7749	1	Kinetics Assays	All assays were performed in TB supplemented with 0.2% Tween 20. For inhibition assays, recombinant DPP9 (25 nM) purified from insect cells was incubated with 2.5 uM recombinant SUMO1 for 2 h at 4 &deg;C before adding different concentrations of the EIL peptide. DPP9 activity was then analyzed by measuring the hydrolysis of 250 uM H-Gly-Pro-7-amino-4-methylcoumarin (GP-AMC). For peptide screenings, recombinant DPP8 or DPP9 (25 nM) were incubated with 10 uM of each peptide and immediately tested for hydrolysis of 250 uM GP-AMC. For determination of Ki, varying concentrations of inhibitory peptides were added to recombinant enzymes purified from insect cells (12.5 or 25 nM) or immunopurified from HEK293T cells (12.5 nM) prior to assaying cleavage of GP-AMC (different concentrations) in the same buffer. In all cases, fluorescence release was measured using the Appliskan microplate fluorimeter (Thermo Scientific) with 380-nm (excitation) and 480-nm (emission) filters and SkanIt software and analyzed using Prism 5.0 (GraphPad software). Each experiment was performed at least three times, in triplicate.
7751	1	Two-electrode Voltage Clamp Electrophysiology	Two-electrode voltage clamp (TEVC) recordings were performed on Xenopus oocytes at room temperature 3-6 days postinjection using an OC-725C TEVC amplifier (Warner Instruments, Hamden, CT). Glass electrodes had a tip resistance of 0.5-2.5 megaohms and were pulled from thin walled glass capillary tubes (World Precision Instruments, Hertfordshire, UK) using a PC-10 puller (Narishige, East Meadow, NY). Voltage and current electrodes were filled with 0.3 and 3 M KCl, respectively. During recordings, oocytes were placed in a recording chamber and perfused with the extracellular recording solution comprised of 90 mM NaCl, 1 mM KCl, 10 mM HEPES, 0.5 mM BaCl2, and 0.01 mM EDTA (pH 7.4 with NaOH). Current responses were recorded at a holding potential of -40 and -60 mV for GluN1/N2 and GluN1/N3 receptors, respectively. Compounds were dissolved in extracellular recording solution and applied to the oocyte by gravity-driven perfusion using a computer-controlled 8-modular valve positioner (Digital MVP, Hamilton, Reno, NV).
7752	1	Radioligand Binding Assay	Briefly, ~5&#956;g of membranes were incubated at 30 °C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 Ci/mmol; PerkinElmer Life Sciences) in a total volume of 200 or 500 &#956;l of TME buffer (25 mM Tris-HCl, 5 mM MgCl2, and 1 mM EDTA, pH 7.4) containing 0.1% fatty acid-free bovine serum albumin. At least nine radiolabeled-ligand concentrations were used to determine Kd values of the receptors. Nonspecific binding was determined in the presence of 1 &#956;M unlabeled ligand. Reactions were terminated by filtration with a Brandel cell harvester through Whatman GF/C filter paper (Brandel Inc., Gaithersburg, MD) followed by four washes with ice-cold TME buffer to remove unbound radioactivity. Radioactivity was measured by liquid scintillation counting.
7753	1	PARP Enzyme Inhibition Assay	PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi/mmol), 200 nM biotinylated histone H1, 200 nM sIDNA, and 1 nM PARP enzyme. Auto reactions utilizing SPA bead-based detection were carried out in 100 uL volumes in white 96 well plates. Reactions were initiated by adding 50 ul of 2xNAD+ substrate mixture to 50 uL of 2x enzyme mixture containing PARP and DNA. These reactions were terminated by the addition of 150 uL of 1.5 mM benzamide (~1000-fold over its IC50). 170 uL of the stopped reaction mixtures were transferred to streptavidin Flash Plates, incubated for 1 hour, and counted using a TopCount microplate scintillation counter.
7754	1	MKNK1 Kinase Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 uL of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 uL of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 uL assay volume is 10 uM) and substrate (0.1 uM=>final conc. in the 5 uL assay volume is 0.06 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22&deg; C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 ug/mL. The reaction was stopped by the addition of 5 uL of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22&deg; C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 uM to 0.1 nM (20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
7754	2	MKNK1 Kinase High ATP Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 uL of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 uL of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 uL assay volume is 2 mM) and substrate (0.1 uM=>final conc. in the 5 uL assay volume is 0.06 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22&deg; C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 ug/mL. The reaction was stopped by the addition of 5 uL of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22&deg; C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 uM to 0.1 nM (e.g. 20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial dilutions, the exact concentrations may vary depending on the pipettor used) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
7755	1	Inhibition Assay	Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 100xcompound solution; the test for each concentration was performed in duplicate. To the positive control well, 2 Ml DMSO+48 Ml 1xReaction Buffer were added; while 100 Ml 20 Mm H2O2 working solution was directly added to the positive validation well. To the negative control well, 2 Ml DMSO+98 Ml 1xReaction Buffer were added, and each test was performed in duplicate. 50 Ml 4xAchE application solution was added to each of the compound test wells and the positive control wells. 100 Ml 2xworking solution was added to each of all the wells and mixed until homogenous. The enzymatic reaction was started with the volume of the overall reaction system reaching 200 Ml, which resulted in the final concentrations of the compound solution of 10 umol/L, 2 umol/L, 0.4 umol/L, 0.08 umol/L, 0.016 umol/L, 0.0032 umol/L and 0.064 umol/L.
7756	1	CYP450 Inhibition Assay	The ability of the R and S enantiomers of (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol to inhibit the common drug metabolizing isoforms of cytochrome P450 (CYP) was evaluated against the following isoforms: CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. The compounds were incubated in duplicate with eight test compound concentrations (final DMSO concentration of 0.20%) with human liver microsomes (0.25 or 0.50 mg/mL) and NADPH (1 mM) in the presence of CYP isoform specific probe substrates (phenacetin, bupropion, taxol, diclofenac, mephenyloin, dextromethorphan, testosterone) at the Km for 10-20 minutes at 37&deg; C. Selective CYP isoform inhibitors (furafulline, ticlopidine, quercetin, sulfaphenazole, ticlopidine, quinidine, ketoconazole) were screened alongside the test compounds as positive controls.
7757	1	Fluorescent Based Assay	IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-(3-phenyl-oxyran-2-yl)methyl carbonate (CMNPC) was used as the fluorescent substrate. Human sEH (1 nM) or murine sEH (1 nM) was incubated with the inhibitor for 5 min in pH 7.0 Bis-Tris/HCl buffer (25 mM) containing 0.1 mg/mL of BSA at 30° C. prior to substrate introduction ([S]=5 &#956;M). Activity was determined by monitoring the appearance of 6-methoxy-2-naphthaldehyde over 10 minutes by fluorescence detection with an excitation wavelength of 330 nm and an emission wavelength of 465 nm. 
7758	1	ADP Generation Assay	The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentrations in kinase reaction buffer and briefly incubated with recombinant full-length human BTK kinase with a (His)6 tag (81.3 kDa; Invitrogen Corporation, Carlsbad, Calif.). The assay as described is based on volumes used in a standard 384 well format using solid, white-wall plates. The reaction was subsequently initiated by the addition of ATP and myelin basic protein (MBP) substrate (Millipore Corporation, Waltham, Mass.). Composition of the assay reaction mixture (5 mL volume) was: 5% v/v DMSO, 60 nM BTK, 1.6 uM ATP, and 20 uM MBP substrate. After incubation at room temperature for 60 min, 5 mL of the ADP-Glo reagent (Promega Corporation, Madison, Wis.) was added to each well and incubated for an additional 40 minutes. The reagent stopped the kinase reaction and depleted the unconsumed ATP. Kinase Detection reagent (10 mL; Promega Corporation) was then added to each well. The Kinase Detection reagent comprises reagents to convert ADP to ATP and provide luciferase and luciferin to detect ATP. Luminescence was measured on an EnVision microplate reader (PerkinElmer). The amount of luminescence from each reaction is directly correlated with BTK kinase activity. Percent inhibition and IC50 values were calculated by comparing enzyme activity in drug-treated wells to the appropriate controls.
7759	1	Inhibition Assay	The entire lactate uptake studies for the inhibition of MCT1 were carried out on RBE4 (Rat Brain Endothelial 4) cells. The expression of MCT1 on these cells was confirmed by Western Blotting. The cells were plated approximately 20-24 hours before the experiment, the number of cells being approximately 105 cells per well. The test compounds were dissolved in DMSO and diluted 1000 times using a solution of HEPES buffer (pH 7.43) which consists of 3 uM 14C-Lactate and 2 uM L-Lactate. The cells were washed twice with 500 uL of HEPES buffer and the cells were allowed to equilibrate for 15 minutes at 37&deg; C. The HEPES buffer was removed and 250 uL of the test sample was added in triplicates. This was repeated for all the compounds, including the controls (CHC and DMSO). After 15 minutes, the compounds were removed from the well and 500 uL of ice-cold stop buffer (0.1 mM CHC solution in HEPES buffer) was added. The plate was kept on ice. Now, the HEPES buffer in one triplicate was removed and DMSO solution was added and immediately removed and ice-cold stop buffer was added. This was considered as "Zero". One triplicate was left blank, which was used for protein assay after lysing the cells. The cells were washed twice with ice-cold HEPES buffer and then 250 uL of 0.1M NaOH in 5% Triton-X solution was added and the plate is kept on a shaker for 40 minutes to lyse the cells. 150 uL of the lysed cells was added into 4 mL of the scintillation fluid in a scintillation vial and scintillation count was obtained in disintegrations per minute (dpm). The percent inhibition values were calculated by taking DMSO as minimum. Concentration study (usually 9-12 dilutions) was done to determine the IC50 of each compound.
7760	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 2.7 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 ul of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
7760	2	PDGFRbeta Kinase Assay	Biochemical PDGFRbeta kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 ug of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 uL reaction volumes containing 36 uM ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 ul of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 ul of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 ul of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7760	3	PKR KinaseGlo Assay	Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Massachusetts, USA).
7761	1	Oatp1d1 Transport Assay	In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min incubation with LY (5 &#956;M). For the interactors that showed uptake inhibition above 50%, Ki values were determined. For the purpose of distinguishing the type of interaction with chosen compounds, the shift in Km and Vmax values for LY was determined in the presence of a target compound (at a concentration equal to the Ki value of a compound), at varying LY concentrations (8 points) and after 15 min of incubation, which was within the linear range of the LY transport rate.
7762	1	HDAC Cell-Free Assays	Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1% dimethylsulfoxide). 5 nl of serial diluted CQ (in dimethyl sulfoxide) was added with the Echo 550 liquid handler (Labcyte Inc). According to the enzymatic specificity, a fluorogenic peptide from p53 residues 379-382 (RHKK(Ac)) was used as the substrate for Class I (HDAC1, -2, -3, and -5), Class IIb (HDAC6 and -10), and class IV HDACs (HDAC11), and a fluorogenic peptide from p53 residues 379-382 (RHK(Ac)K(Ac)) was used for HDAC8, whereas Boc-Lys(trifluoroacetyl)-AMC was used for Class IIA HDACs (HDAC4, -5, -7, and -9). The reaction was started by adding substrates into the reaction mixture and was stopped after 2 h of incubation at 30 °C. Substrate concentrations were analyzed at excitation and emission wavelengths of 360 and 460nm.
7750	1	Tau Protein Assay	The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 &#956;m porosity) as described previously [Cisek et al., Biophys. Chem., 170:25-33]. The membranes were blocked in 5% nonfat dry milk dissolved in blocking buffer (100 mM Tris-HCl, pH 7.4, and 150 mM NaCl) for 1 h and then incubated with primary antibody Tau5 at 1:5000 dilution for 2 h. Membranes were then washed three times with blocking buffer and incubated with horseradish peroxidase-linked secondary antibody for 2 h. After washing another three times with blocking buffer, membranes were imaged using the Enhanced Chemiluminescence Western blotting Analysis System (GE Healthcare, Buckinghamshire, UK) recorded on an Omega 12iC Molecular Imaging System and quantified using Ultra-Quant software (UltraLum, Claremont, CA, USA).
7763	1	Inhibition Kinetics Assay	Binding of TLM18 to wild-type and mutant KasA was quantified by monitoring changes in the intrinsic tryptophan fluorescence of the enzyme at wavelengths of 280 nm for excitation and 337 nm for emission, as described previously [Kapilashrami et al., J. Biol. Chem., 288:6045-6052]. Briefly, the data were collected using a Quanta Master fluorometer (Photon Technology International). Inhibitors were dissolved in DMSO and titrated into 1 &#956;M solutions of KasA and C171Q KasA in buffer (50 mM Tris-HCl, 150 mM NaCl, 1 mM dithiothreitol, pH 8.5).
7764	1	Amoxapine and Protriptyline Inhibition Assay	Reaction conditions were as follows: SULT1A1 or 2A1 (50 nM), PnP (3.0 or 100 uM, respectively; 2 x Km PnP), amoxipine or protriptyline (0, 50, 100, or 300 uM), PAPS (125 uM or 3.0 mM, respectively; >250 x Km PAPS), MgCl2 (5.0 mM), KPO4 (50 mM), pH 7.5, 25 +/- 2 &deg; C. Sulfation of PnP was monitored optically at &lambda; = 415 nm (&epsilon;415 = 10.6 mM-1 cm-1 at pH 7.5 [Whittemore et al., Biochemistry, 24:2477-2482).
7765	1	Inhibition Assay	Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 &deg;C by adding purified OPRT enzymes (25 nM for PfOPRT and 100 nM for HsOPRT) to reaction mixtures with 50mM Tris-HCl (pH 8.0), 5 mM MgCl2, 1 mM PPi, 0.5 mM OMP, and inhibitor at varied concentrations. In all cases, the inhibitor concentration was at least 10 times the enzyme concentration. Reaction rates were monitored through the absorbance increase at 295 nm to give an extinction coefficient of 3.67 mM-1 cm-1 [Abdo et al., Org. Lett., 12:2982-2985].
7766	1	[3H]Diprenorphine Competition Assay	Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepared by lysing transfected HEK-T cells in binding buffer (50 mM Tris-Cl, 10 mM MgCl2, and 0.1 mM EDTA at pH 7.40) and centrifugation at 30,000 × g for 20 min. Membrane pellets were then flash-frozen in liquid nitrogen and stored at -80 °C until use in binding assays. Binding assays were conducted in total volumes of 0.25 ml in 96-well plates in a binding buffer containing 0.3-0.6 nM [3H]diprenorphine for a total of 60 min at room temperature. Assays were terminated by harvesting over 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester and three quick washes with ice-cold binding buffer. Ki determinations were performed by using at least eight concentrations of unlabeled ligand spanning a 10,000-fold dose range.
7766	2	Homologous Competition Assay	Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepared by lysing transfected HEK-T cells in binding buffer (50 mM Tris-Cl, 10 mM MgCl2, and 0.1 mM EDTA at pH 7.40) and centrifugation at 30,000 × g for 20 min. Membrane pellets were then flash-frozen in liquid nitrogen and stored at -80 °C until use in binding assays. Binding assays were conducted in total volumes of 0.25 ml in 96-well plates in a binding buffer containing 0.3-0.6 nM [3H]diprenorphine for a total of 60 min at room temperature. Assays were terminated by harvesting over 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester and three quick washes with ice-cold binding buffer. Diprenorphine Kd and receptor expression levels (Bmax) for the different mutants were determined using homologous competition binding.
7766	3	cAMP Inhibition Assay	HEK293T cells were co-transfected with plasmids encoding the cAMP biosensor GloSensor-22F (Promega) and the different human KOR variants as described [Allen et al., Proc. Natl. Acad. Sci. U.S.A., 108:18488-18493]. After an 18-h incubation at 37 °C, the cells were seeded (at 20,000 cells/20 &#956;l/well) into white, clear bottom, 384-well tissue culture plates precoated with poly-L-lysine (25 mg/liter; Sigma). Cells were plated in DMEM containing 1% dialyzed FBS. After a 24-h recovery, the medium was replaced with 20 &#956;l of Drug Buffer (1× Hanks&#39; balanced salt solution, 20 mM HEPES, pH 7.4), and the cells were treated with 10 &#956;l of 3× test or reference drug prepared in Drug Buffer. After 20 min, cAMP production was stimulated and detected by treatment with 10 &#956;l of 1.2 &#956;M (4×) isoproterenol in 8% (4×) GloSensor reagent. Luminescence per well per second was read on a Wallac Micro-Beta TriLux plate scintillation counter.
7767	1	[3H]NMS/Carbachol Binding Assay	In brief, binding reactions containing ~10 &#956;g of membrane protein per tube were carried out for 2 h (22 °C) in 1 ml of binding buffer containing 25 mM sodium phosphate and 5 mM MgCl2 (pH 7.4). In saturation binding assays, we employed six different [3H]NMS concentrations (200 to 7,000 pM). In competition binding assays, we used a fixed concentration of [3H]NMS (500 pM) in the presence of 10 different concentrations of carbachol, the cold competitor. Nonspecific binding was defined as binding observed in the presence of 10 &#956;M atropine. Binding reactions were terminated by rapid filtration over GF/C Brandel filters, followed by three washes (~4 ml/wash) with ice-cold distilled water. The amount of radioactivity that remained bound to the filters was determined by liquid scintillation spectrometry.
7767	2	[35S]GTP&#947;S Binding/Immunoprecipitation Assay	In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 &#956;M; 10 min at 37 °C). Control samples were incubated under the same experimental conditions in the absence of CuPhen. Subsequently, receptor-containing membranes (75 &#956;g of protein) were incubated with the muscarinic agonist, carbachol (1 mM) for 2 min at 30 °C in the presence of 1 nM [35S]GTP&#947;S. Following membrane solubilization and pre-clearing, G&#945;q/11 proteins were immunoprecipitated with a selective anti-G&#945;q/11-specific antiserum as described [Akam et al., Br. J. Pharmacol., 132:950-958]. Nonspecific binding was determined in the presence of 10 &#956;M GTP&#947;S.
7768	1	In Vitro Enzymatic BACE FRET Assay	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.2 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm).
7768	2	In Vitro Enzymatic Cathepsin D FRET Assay	Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for Cat D) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The Cat D substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (Cat D excitation 500 nm and emission 580 nm).
7769	1	Homogenous Time-Resolved Fluorescence Assay (HTRF1 Assay)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1xPBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-5-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6&times;His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography. Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3.
7769	2	Homogenous Time-Resolved Fluorescence Assay (HTRF2 Assay)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1xPBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 0.2 nM GST-hMDM2 (aa 1-188), 0.5 nM biotinylated-p53 (aa 1-83), 0.18 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 100 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-5-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6&times;His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography. Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3.
7770	1	In Vitro DGAT2 Assay	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 uL. To 1 uL of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 uL of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 20 minutes. To this mixture, 10 uL of hDGAT2 membrane fraction (0.01 mg/mL) diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock) was added. After this mixture was preincubated at room temperature for 2 hours, DGAT2 reactions were initiated by the addition of 4 uL of substrates containing 30 uM [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 uM 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 uL of 1% H3PO4. After the addition of 45 uL MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000&times;g for 1 min in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.
7771	1	AlphaScreen Assay	Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 &#956;M start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15 nM GST-BRD4-BD1 protein (aa 44-168) or 150 nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (LysS, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 &#956;l of the mix is added to the compound dilutions. Subsequently, 6 &#956;l of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.
7772	1	Radioligand Binding Assay	The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 &#956;M, and 1 &#956;M.The assays were carried out in duplicates and the quantitative data are reported as IC50, Ki, and nH. Where presented, IC50 values were determined by a non-linear, least squares regression analysis using MathIQ (ID Business Solutions Ltd. UK). Where inhibition constants (Ki) are presented, the Ki values were calculated using the equation of Cheng and Prusoff (Cheng, Y., Prusoff, W. H., Biochem. Pharmacol. 1973, 22:3099-3108) using the observed IC50 of the tested compound, the concentration of radioligand employed in the assay and the historical values for the KD of the ligand (obtained experimentally at MDS Pharma Services).
7773	1	Capillary Electrophoresis	IC50 values were obtained from capillary electrophoretic inhibition test.
7774	1	I1 Receptor Binding Assay	Binding assays were performed at 37&deg; C. using [125I]LNP 911 as radioligand following the general procedure described but adapted to washed whole platelets (Greney, H.; Urosevic, D.; Schann, S.; Dupuy, L.; Bruban, V.; Ehrhardt, J,-D.; Bousquet, P.; Dontenwill, M. [125I]2-(2-Chloro-4-iodo-phenylamino)-5-methyl-pyrroline (LNP911), a High-Affinity Radioligand Selective for I1 Imidazoline Receptors. Mol. Pharmacol. 2002, 62, 181-191).Incubation was initiated through the addition of 900 to 950 ul of platelet suspension at a concentration of 500000/ul in a final volume of 1 ml Tyrode albumin and was performed at 37&deg; C. for 5 min (equilibrium conditions). The competitive assays were conducted using a single concentration of radioligand (50 uM, 200 000 cpm), in the presence of increasing concentrations of suitable non-labelled ligand. Non-specific binding was determined by the binding of [125I]LNP 911 in the presence of 100 nM of non-labelled LNP 911 and represented about 10% of total radioactivity when 50 uM of [125I]LNP 911 were used. The reaction was halted by rapid vacuum filtration through GF/C fibre glass filters followed by five rapid washings of the filters with 3 ml of ice-cold Tyrode (137 nM NaCl, 2.7 nM KCl, 12 nM NaHCO3, 0.36 nM NaH2PO4, pH 7.35). Radioactivity was measured using a gamma counter (Wallac 1410).
7774	2	Alpha2-Adrenergic Receptor Binding Assay	The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chaput, C.; Richard, N.; Millan, N. J. (Action of alpha2 Adrenoreceptor Ligands at alpha2A and 5-HT1A Receptors: the Antagonist, Atipamezole, and the Agonist, Dexmedetomidine, are Highly Selective for alpha2A Adrenoreceptors. Naunyn-Schmiedeberg's Arch. Pharmacol. 1998, 358, 197-206). These membranes (30 ug proteins/ml for CHO-halpha2A and CHO-halpha2B, 100 ug protein/ml for CHO-halpha2C) were incubated for 60 min at ambient temperature in binding buffer (33 mM Tris-HCl, 1 mM EDTA, pH 7.5) in a final volume of 500 uL containing 0.8 or 1 or 2 nM [3H]RX821002 respectively for the adrenergic receptors halpha2A, halpha2B and halpha2C. Incubation was halted by rapid vacuum filtration through GF/C glass fibre filters followed by three successive washings in ice-cold binding buffer. Non-specific binding was determined using 10 uM phentolamine.
7775	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay 	Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 mM DTT, 1% Glycerol) using 6.8 nM recombinant, human, C-terminally-His tagged NAMPT, 1 nM Tb-anti-His antibody (Invitrogen, Cat #PV5895), and 200 nM probe (Oregon Green 488-conjugated APO0866; A-1251667.0.  Plates were covered, and reactions were carried out for 2-3 hours. Plates were read with Envision (Laser Lantha low volume protocol) after 2 to 3 hours. Excitation was carried out at 337 nm, and the ratio of emission of Oregon Green (520 nm) to terbium (492 nm) was determined and used to calculate IC50 values of test compounds.
7775	2	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Binding Assay 	Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 mM DTT, 1% Glycerol) using 6.8 nM recombinant, human, C-terminally-His tagged NAMPT, 1 nM Tb-anti-His antibody (Invitrogen, Cat #PV5895), and 200 nM probe (Oregon Green 488-conjugated APO0866; A-1287128.0.  Plates were covered, and reactions were carried out for 2-3 hours. Plates were read with Envision (Laser Lantha low volume protocol) after 2 to 3 hours. Excitation was carried out at 337 nm, and the ratio of emission of Oregon Green (520 nm) to terbium (492 nm) was determined and used to calculate IC50 values of test compounds.
7775	3	ROCK2 Kinase Activity Assays	HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, CisBio), 5 uM, 100 uM or 1 mM of ATP, inhibitors (0.1-10,000 nM in 2% DMSO) and enzymes as in the 33P-ATP assay below. [33P]-ATP assay: ROCK2 activity was initially determined using a radioactive FlashPlate-based assay. In a 96-well format, biotinylated peptide substrates (2 mM final; S6-short for ROCK2), &gamma;-[33P]-ATP (5 uM, 2 mCi/mmol), compounds (0.1-10000 nM in 2% DMSO), and ROCK2 (0.2 nM; Upstate) catalytic domains.
7776	1	LTA4H Enzyme Assay	The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of the enzyme to cleave the peptide bond of arginyl-aminomethylcoumarin (Arg-AMC). LTA4H Enzyme (1 nM final), Arg-AMC substrate (50 uM final), and compound are combined in a reaction buffer (50 mM Tris-HCl (pH 7.5), 100 mM KCl, 0.5% bovine serum albumin) at room temperature for 1 h. The formation of product is assessed by measuring the fluorescence of aminomethylcoumarin product (excitation wavelength 380 nm/emission wavelength 460 nm).
7777	1	SelectScreen Biochemical Kinase Assay	Biochemical in vitro lipid kinase assays were performed by the SelectScreen biochemical kinase assay service (Invitrogen Ltd.). A stock solution of GS-9820 was prepared in DMSO at a concentration of 10 mM. Ten-point kinase inhibitory activities were measured over a concentration range (5 to 10^4 nM) with ATP at a concentration consistent with the Km of each of the enzymes.
7778	1	Electrophysiology Assay	Functional measurements were performed using perforated patch whole cell recordings coupled with a two-barrel drug application system [Liu et al., J. Neurosci., 29:918-929]. After the formation of whole cell configuration, an access resistance less than 30 M&Omega; was acceptable for voltage-clamp recordings. The series resistance was not compensated in the experiments using dissociated neurons. The data were filtered at 2 kHz, acquired at 11 kHz, and digitized on-line (Digidata 1322 series A/D board; Axon Instruments, Foster City, CA). All experiments were done at room temperature (22 &plusmn; 1 °C).
7779	1	Myeloperoxidase Assay	Assays were performed at 22 °C with 2 nM MPO and 10 &#956;M hydrogen peroxide (H2O2) in 20 mM NaH2PO4 buffer, pH 6.5 containing 140 mM NaCl, 10 mM taurine, and 1 mM L-tyrosine. Inhibitor compounds were preincubated with MPO for 15 min prior to the addition of H2O2, and the accumulation of taurine chloramine was determined after 1 min.
7779	2	LPO/TPO Selectivity Assay	The halogenation activities of LPO (EC 1.11.1.7) and TPO (EC 1.11.1.8) were determined using a modified method of that described previously [Ferrari et al., J. Inorg. Biochem., 68:61-69].
7779	3	Surface Plasmon Resonance (SPR)	Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 &#956;g/ml dissolved in 10 mM sodium acetate, pH 5.0) was immobilized onto the surface of CM5 sensor chips (Biacore) using surface amine coupling. One of the spots on the sensor surface was left without MPO to control for nonspecific binding. The signal observed in response to analyte binding was as expected linearly related to the amount of immobilized ligand, and 10,000 response units was routinely used to characterize compoundbinding (data not shown). Compounds were dissolved in binding buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 3 mM Na2EDTA, 0.005% (w/v) surfactant P20, 1% (v/v) DMSO final), and association was assessed during 60-210-s injections. After this time, analyte injection was terminated, and the chip surface was perfused with binding buffer at 30 &#956;l/min for 4-12 min to monitor compound dissociation.
7780	1	Diffusion Ordered Spectroscopy (DOSY)	Solutions of TS, TSY342H, and TSD247A in 20 mM Tris-HCl were exchanged with deuterated PBS using four cycles of concentration with Amicon Ultra (50,000 nominal molecular weight limit; Millipore) and diluted in deuterated PBS. One hundred microliters of 0.1 mM protein solution (TcTSs or BSA) was titrated with the sialoside (0.2, 0.4, 0.6, 0.8, 1.0, 1.2, 1.6, and 2.0 mM) or lacto-N-neotetraose (0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, and 0.9mM) as a negative control. The solution containing 0.1 mM protein plus sialoside was further titrated with Me-Lac (0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, and 0.9 mM) in Shigemi tubes. NMR spectra were obtained at a probe temperature of 293 K on a Bruker DMX 600-MHz spectrometer equipped with a 5-mm self-shielded gradient triple resonance probe. All DOSY experiments were performed with a stimulated echo using bipolar gradient pulses for diffusion, one spoil gradient, and the 3-9-19 pulse sequence with gradients for water suppression according to the Bruker pulse program stebpgp1s19. The gradient duration was set to &delta; = 10 ms (protein-only experiments) and 20ms (protein&sdot;carbohydrate complexes experiments), and the diffusion time was set to &Delta; = 40 ms. Gradient strength was linearly varied in 16 steps from 0.6 to 6.7 G/cm. For each of the 16 gradient amplitudes, eight transients of 192 complex data points were acquired to a 10.0-ppm spectral width. The pulse repetition delay between each scan was 3 s.
7782	1	PCSK9 Inhibition Assay	For the peptide affinity determinations, biotinylated PCSK9 was immobilized to NeutrAvidin-coated MaxiSorp Immuno-Plates and incubated with a mixture of serially diluted synthetic peptide (Pep2-2 or Pep2 at 0-100 &mu;M) and the correspondingpeptide-displaying phage at the earlier determined subsaturating concentration (see above). After a 1-h incubation in PBT buffer (PBS, 0.5% BSA, 0.05% Tween 20), the plate was washed extensively, and the bound phage was detected by anti-M13-HRP. The data were fitted to a four-parameter equation (KaleidaGraph) to determine the IC50 values. For IC50 measurements of the Pep2-2 derivatives (Fig. 1C) and for the truncated Pep2-8 peptides (Table 1), we used the peptides in a concentration range of 0-250 &mu;M and the Pep2-2-displaying phage at subsaturating concentrations.
7783	2	Isothermal Titration Calorimetry (ITC)	ITC measurements were carried out at 20 °C with a VP-ITC calorimeter (GE Healthcare, MicroCal, Inc.) consisting of a 1.45-ml reaction cell. STM2200 in 20 mM MES-NaOH, 150 mM NaCl, 0.025% (w/v) &#946;-DDM, pH 5.9 at concentrations ranging between 15 and 30 &#956;M was titrated with ligands under conditions where the sum of the ionic strengths of ligand and NaCl was always 150 mM. After an initial 4-&#956;l injection, all subsequent ligand additions consisted of 5 &#956;l every 240-300 s. Stirring was at 307 rpm.
7784	1	Fluorescence Polarization Assay	All fluorescence polarization experiments were conducted in 384-well, black, low volume, round-bottomed plates (Corning) using a BioTeck Synergy 2 plate reader (Winooski, VT). For binding experiments, to each well was added increasing amounts of protein and the 5-carboxyfluorescein-labeled Hsp70/90 C-terminal probe/tracer (20 nM). All wells had a final volume of 20 &#956;l in the assay buffer (40 mM Tris-HCl, pH 7.4, 10% glycerol, 1 mM DTT). The plate was allowed to incubate at room temperature for 5 min toreach equilibrium. The polarization values in millipolarization units were measured at an excitation wavelength at 485 nm andan emission wavelength at 528 nm. An equilibrium binding isotherm was constructed by plotting the fluorescence polarization reading as a function of the protein concentration at a fixed concentration of tracer (20 nM).
7785	1	Steady-State Kinetic Assay	Initial rates of amine oxidation were measured by monitoring oxygen consumption using an oxygen electrode (model 5300A, Yellow Springs Instruments, Yellow Springs, OH) at 25 °C. The buffers were 0.1 M sodium Hepes at pH 7-8, 0.1 M sodium CHES at pH 8.5-10, and 0.1 M sodium CAPS at pH 10.5&#8722;11; all buffers also contained 0.1 M NaCl. For solvent isotope effects, buffers and substrates were made up inD2O. The concentrations of all the enzymes were determined using the &#949;445 value of 11.3 mM&#8722;1 cm&#8722;1 for the wild-type enzyme,8 because there were no significant changes in the visible absorbance spectra of the variants. The use of the flavinabsorbance to determine the enzyme concentration meant that only the holoenzyme was included in the enzyme concentration. The concentration of oxygen was varied by bubbling the desired concentration of oxygen (62 &#956;M to 1.25 mM) into the oxygen electrode cell for &#8764;10 min. Assays typically contained 0.1 &#956;M enzyme, with th
7786	1	GOAT Activity Assay	Assays were performed with ~100 &mu;g of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 &mu;M methyl arachidonyl fluorophosphonate (MAFP) and inhibitor or vehicle as indicated in 50 mM HEPES (pH 7.0) for 30 min at room temperature [McGovern-Gooch et al., Endocrinology, 157:4330-4338]. Reactions were initiated via the addition of 500 &mu;M octanoyl CoA and 1.5 &mu;M fluorescently labeled ghrelin mimetic, GSSFLCAcrylodan, for a total volume of 50 &mu;L, and were incubated for 3 h at room temperature in the dark. Reactions were stopped with the addition of 50 &mu;L of 20% acetic acid in isopropanol, and solutions were clarified by proteinprecipitation with 16.7 &mu;L of 20% trichloroacetic acid, followed by centrifugation (1000g for 1 min). The supernatant was then analyzed by reverse phase HPLC, as previously described [Darling et al., Anal. Biochem., 437:68-76].
7787	1	Fluorescence Polarization Assay	Peptides and the ER&#945; LBD were diluted in 1× PBS buffer [140 mM NaCl, 2.7 mM KCl, 10 mM K2HPO4, and 2 mM KH2PO4 (pH 7.4)]. Peptide concentrations were determined by the absorbance at 492 nm, using a fluorescein extinction coefficient of 83000. Fluorescence polarization assays were conducted in 96-well round-bottom black opaque plates (Costar) using 2-fold serial dilutions of the ER&#945; LBD, to final protein concentrations from 10 to 0.0098 &#956;M, in PBS containing 0.1 mM DTT, 20 &#956;M 17&#946;-estradiol, 0.04 mg/mL BSA, and 100 nM fluorescein-labeled peptide. Solutions were incubated in the dark for 30 min at room temperature before being read on a PerkinElmer Fusion plate reader using a 485 nm fluorescein excitation filter and a 535 nm emission filter with a polarizer.
7788	1	IYD Binding Assay	Dissociation constants (Kd) for the ligands of IYD were determined by their ability to quench the fluorescence of the oxidized FMN (FMNox) (&#955;ex 450 nm, &#955;em 523 nm) in the active site of IYD as previously described [Hu et al., J. Biol. Chem., 290:590-600; McTamney et al., J. Am. Chem. Soc., 131:14212-14213].
7789	2	Nav1.5 In Vitro PX Assay	293 cells stably transfected with Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system according the manufacturer's specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Cells were held at a holding potential of -50 mV to inactivate sodium channels. To elicit sodium currents the voltage was changed -120 mV to recover a portion of the channels, followed by delivery of test pulses of 20 msec duration to 0 mV, at 0.1 Hz. A single concentration of test compound was applied to cells for a duration of 5 minutes.
7790	1	HDAC Activity Assay	HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC, deacetylation of the substrate sensitizes the substrate such that, in a second step, treatment with the detection enzyme produces a fluorophore. HDACs 1 and 6 were expressed as full length fusion proteins. Purified proteins were incubated with 50 &mu;M fluorescently-labeled acetylated peptide substrate and test compound for 2 hours at RT in HDAC assay buffer containing 50 mM Tris-HCl (pH 8.0), 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1% DMSO, and 1% BSA. Reactions were terminated by the addition of the Developer after 2 hours, and the development of fluorescence signal, which was relative to the amount of deacetylated peptide, was monitored by time-course measurement of EnVision (PerkinElmer). The HDAC activity was estimated from the slope of time-course measurement of the fluorescence intensity.
7791	1	Akt1 TR-FRET assay	His-tagged human recombinant kinase full-length Akt1 expressed in insect cells was purchased form Invitrogen (part number PV 3599). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &mu;l of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 &deg;C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &mu;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &mu;M=>final conc. in the 5 &mu;l assay volume is 10 &mu;M) and substrate (1.67 &mu;M=>final conc. in the 5 &mu;l assay volume is 1 &mu;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 &deg;C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 0.05 ng/&mu;l (final conc. in the 5 &mu;l assay volume). The reaction was stopped by the addition of 5 &mu;l of a solution of HTRF detection reagents (200 nM streptavidine-XL665 [Cisbio] and 1.5 nM anti-phosho-Serine antibody [Millipore, cat. #35-001] and 0.75 nM LANCE Eu-W 1024 labeled anti-mouse IgG antibody [Perkin Elmer]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES/NaOH pH 7.5). The resulting mixture was incubated 1 h at 22 &deg;C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the antibodies. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the anti-mouse-IgG-Eu-Chelate to the streptavidine-XL665. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a HTRF reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Normally test compound were tested on the same microtiter plate at 10 different concentrations in the range of 20 &mu;M to 1 nM (20 &mu;M, 6.7 &mu;M, 2.2 &mu;M, 0.74 &mu;M, 0.25 &mu;M, 82 nM, 27 nM, 9.2 nM, 3.1 nM and 1 nM, dilution series prepared before the assay at the level of the 100 fold conc. stock solutions by serial 1:3 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit using an in-house software.
7791	2	Akt2 TR-FRET assay	His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased from Invitrogen (part number PV 3975). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &mu;l of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22 &deg;C. to allow prebinding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &mu;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &mu;M=>final conc. in the 5 &mu;l assay volume is 10 &mu;M) and substrate (1.67 &mu;M=>final conc. in the 5 &mu;l assay volume is 1 &mu;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22 &deg;C. The concentration of Akt2 in the assay was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 0.2 ng/&mu;l (final conc. in the 5 &mu;l assay volume). The reaction was stopped by the addition of 5 &mu;l of a solution of HTRF detection reagents (200 nM streptavidine-XL665 [Cisbio] and 1.5 nM anti-phosho-Serine antibody [Millipore, cat. #35-001] and 0.75 nM LANCE Eu-W 1024 labeled anti-mouse IgG antibody [Perkin Elmer]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES/NaOH pH 7.5). The resulting mixture was incubated 1 h at 22 &deg;C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the antibodies. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the anti-mouse-IgG-Eu-Chelate to the streptavidine-XL665. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Normally test compound were tested on the same microtiter plate at 10 different concentrations in the range of 20 &mu;M to 1 nM (20 &mu;M, 6.7 &mu;M, 2.2 &mu;M, 0.74 &mu;M, 0.25 &mu;M, 82 nM, 27 nM, 9.2 nM, 3.1 nM and 1 nM, dilution series prepared before the assay at the level of the 100 fold conc. stock solutions by serial 1:3 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit using an in-house software.
7792	1	TASK-1 Inhibiition Assay	Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently, TASK-1-encoding RNA synthesized in vitro was injected into the oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 interface (Instrutech Corp., Long Island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to -90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing 96 mM sodium chloride, 2 mM potassium chloride, 1.8 mM calcium chloride, 1 mM magnesium chloride, 5 mM 4-(2-hydroxyethyl)-piperazine-1-ethanesulfonic acid (HEPES; pH adjusted to 7.4 with sodium hydroxide). All experiments were performed at room temperature.
7793	1	Uptake Assay	Functional efficacy was determined by assessing the ability of PBZI and ES609 to inhibit monoamine transporter uptake activity.
7794	2	Inhibition Assay	Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 &deg;C. containing 100 mM Hepes, pH 7.4, 100 mM phosphate, pH 7.4, 2 mM MTI, 5 mM DTT, 0.5 unit of xanthine oxidase and variable inhibitor concentration. Inhibitors were present at >10 times the enzyme concentration. Assays for MTA inhibition used 200 &mu;M MTI. Controls having no enzyme and no inhibitor were included in all of the inhibition assays. Slow-onset inhibitors display a second phase of tighter binding after reaching a thermodynamic equilibrium with the enzyme. The equilibrium constant for the second binding phase is indicated as Ki*.
7794	1	Inhibition Assay	Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 &deg;C. containing 100 mM Hepes, pH 7.4, 100 mM phosphate, pH 7.4, 2 mM MTI, 5 mM DTT, 0.5 unit of xanthine oxidase and variable inhibitor concentration. Inhibitors were present at >10 times the enzyme concentration. Assays for MTA inhibition used 200 &mu;M MTI. Controls having no enzyme and no inhibitor were included in all of the inhibition assays. Ki is the inhibition constant.
7795	1	Radioligand Binding Assay	The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros, B. et al., Trends Pharmcol. Sci. 1993, 14, 43-49; Gu, H. et al., J. Biol. Chem. 1994, 269(10), 7124-7130; Shearman, L. P. et al, Am. J. Physiol., 1998, 275 (6 Pt 1), C1621-1629; Wolf, W. A. et al., J. Biol. Chem. 1992, 267(29), 20820-20825). The human recombinant transporter proteins dopamine (DAT), norepinephrine (NET) and serotonin (SERT) were selected for the in vitro assays. The radioligand binding assays were carried out at 11 different test concentrations 0.1 nm to 1 &#956;M.
7796	1	MKNK1 Kinase High ATP Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &mu;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22 &deg;C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &mu;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &mu;L assay volume is 2 mM) and substrate (0.1 &mu;M=>final conc. in the 5 &mu;L assay volume is 0.06 &mu;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 &deg;C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &mu;g/mL. The reaction was stopped by the addition of 5 &mu;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22 &deg;C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate.
7797	1	In vitro RORc Ligand Binding Assay	On day of the assay, 100 &mu;L of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash buffer of 50 mM HEPES (pH 7.4), 150 mM NaCl, and 5 mM MgCl2 was prepared to wash the filter plate. To prepare an assay buffer, BSA was added to the wash buffer to reach 0.01% and DTT was added to reach 1 mM. For IC50 mode, 10 mM compound stocks were serially diluted in DMSO with DMSO to give 20&times; required final concentration in DMSO (15 &mu;L compound + 30 &mu;L DMSO). The 20&times; compound stocks were diluted in DMSO with Assay Buffer 4-fold to reach 5&times; the final test concentration in 25% DMSO (10 &mu;L compound + 30 &mu;L Assay Buffer). Solutions were mixed by aspiration several times with a pipette set on 50 &mu;L volume. For the assay, 10 &mu;L of 5&times; compound stock solutions in 25% DMSO were added to the assay plate in duplicate. Assay plates were 96-well polypropylene V-bottom plates. 10 &mu;L of 5&times; compound in 25% DMSO/75% Assay Buffer was added to Test wells. 10 &mu;L of 25% DMSO/75% Assay Buffer was added to Total Binding or No Receptor wells. 10 &mu;L of 5 &mu;M 25-hydroxycholesterol in 25% DMSO/75% Assay Buffer was added to NSB wells. 20 &mu;L of 15 nM 25-[3H]hydroxycholesterol prepared in Assay Buffer was added to all wells. 20 &mu;L of 1.5 ug/mL RORc receptor was added to wells (or 40 &mu;L Assay Buffer to No R wells). Following addition to the wells, the plates were incubated 3 h at 25 &deg;C. Final concentrations were as follows: 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB wells, 1 &mu;M 25-hydroxycholesterol was also present.
7798	1	DELFIA	One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six methylene groups, aminohexanoic acid) was added to each well of 96-well streptavidin-coated plates (PerkinElmer). After 2 h of incubation and elimination by three washing steps of the unbound biotin-BID peptide, 11 &mu;L of apreincubated solution of the protein and a serial dilution of the test peptide were added to the assay plate, followed by the addition of 89 &mu;L of a 1.56 nM solution of Eu-N1-labeled anti-6xHis Antibody (PerkinElmer). After 1 h of incubation at RT to allow the immunoreaction to complete, a second washing step allowed removal of the unbound protein in complex with Eu antibodies if displaced by a test compound. Subsequently, 200 &mu;L of enhancement solution (PerkinElmer) was added to each well and fluorescence measured after 10 min of incubation (excitation wavelength, 340 nm; emission wavelength, 615 nm). The protein final concentrations, determined by titrations, were 15 nM for hBfl-1, 16 nM for hMcl-1, 7 nM for hBcl-2, and 8.5 nM for hBcl-xL, while the antibody final concentration was 22.2 ng/well when compounds were tested against hBfl-1, hMcl-1, and hBcl-xL and 14.8 ng/well in the presence of hBcl-2. Each well received a final DMSO concentration equal to 1%. Protein, peptide, and antibody solutions were prepared in DELFIA assay buffer (PerkinElmer).
7800	1	PKC AlphaScreen Assay	Interaction assays were performed using the Alpha-Screen (amplified luminescent proximity homogeneous assay) technology, as described previously [Lopez-Garcia et al., Chem. Biol., 18:1463-1473; Zhang et al., Chem. Biol., 21:754-765]. The bead-based assay allows the detection of biomolecular interactions and the effect of small compounds. Briefly, the Alpha-Screen assay was performed in a finalvolume of 25 &mu;L in white 384-well microtiter plates (Greiner Bio-One) with His-PKC&iota;-CD (40 nM) and biotin-pseudosubstrate (80 nM) or His-PKC&iota;-CD (15 nM) and biotin-ROCKtide (100 nM) in a buffer containing 50 mM Tris-HCl (pH 7.4), 100 mM NaCl, 0.01% (v/v) Tween 20, 0.1% (w/v) BSA, 2 mM dithiothreitol (for the PKC&iota;-Rocktide interaction) or 5 mM dithiothreitol (for the PKC&iota;-pseudosubstrate interaction), and the corresponding concentration of the compound. Five microliters of beads at a concentration of 20 &mu;g/mL was added to the mixture (nickel chelate-coated acceptor beads and streptavidin-coated donor beads), and after incubation for 90 min, Alpha-Screen counts were obtained in an EnVision Multiplate reader.
7801	1	8-[Fluo]-cAMP Fluorescence Polarization Binding Assay	The ability of the R subunit basic patch mutants to bind cAMP in the absence of the C subunit was tested using the fluorescent cAMP analogue, 8-[fluo]-cAMP (Biolog), used at a final concentration of 10 nM. Wells were titrated with a rangeof R subunit concentrations (from 0 to 125 nM), which were diluted with FP assay buffer.
7802	1	Biolayer Interferometry Binding Assay	For this experiment, we immobilized the biotinylated recombinant Pax2 paired domain, containing amino acids 1&#8722;81, onto streptavidin biosensors and measured the binding affinity of EG1 to the immobilized Pax2 paired domain. After biotinylation, the protein was bound to saturation to the biosensor of an Octet RED Multichannel platform (ForteBio). All binding and equilibration was done in PBS with 0.1% DMSO. For binding to the compound, sensors were incubated for 300s in EG1 at the following concentrations: 0.5, 1, 2, 4, 8, 16, 31, 62, 125, and 250 &#956;M. Disassociation was then measured for 350 s in PBS to determine affinity constants. Kd is calculated from Kon and Koff.
7802	2	Biolayer Interferometry Binding Assay	For this experiment, we immobilized the biotinylated recombinant Pax2 paired domain, containing amino acids 1&#8722;81, onto streptavidin biosensors and measured the binding affinity of EG1 to the immobilized Pax2 paired domain. After biotinylation, the protein was bound to saturation to the biosensor of an Octet RED Multichannel platform (ForteBio). All binding and equilibration was done in PBS with 0.1% DMSO. For binding to the compound, sensors were incubated for 300s in EG1 at the following concentrations: 0.5, 1, 2, 4, 8, 16, 31, 62, 125, and 250 &#956;M. Disassociation was then measured for 350 s in PBS to determine affinity constants. Kd is calculated from steady state analysis.
7803	1	SPR Screening Assay	The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused Avi-tag, which, due to its cytoplasmic location, is biotinylated in vivo in E. coli [Egloff et al., Proc. Natl. Acad. Sci. U.S.A., 111:E655-E662]. The incorporation of biotin allowed a direct coupling of the purified receptor on a streptavidin-coated surface. All surface plasmon resonance (SPR) measurements were performed on a Biacore T100 instrument. Screening was performed against immobilized free receptor and blocked receptor (bound to NTS8-13), as well as a blank reference surface. Kd obtained from kinetic analysis.
7803	2	SPR Screening Assay	The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused Avi-tag, which, due to its cytoplasmic location, is biotinylated in vivo in E. coli [Egloff et al., Proc. Natl. Acad. Sci. U.S.A., 111:E655-E662]. The incorporation of biotin allowed a direct coupling of the purified receptor on a streptavidin-coated surface. All surface plasmon resonance (SPR) measurements were performed on a Biacore T100 instrument. Screening was performed against immobilized free receptor and blocked receptor (bound to NTS8-13), as well as a blank reference surface. Kd obtained from equilibrium analysis.
7804	1	Fluorescence-based Affinity Assay	The fluorescence emission spectra of tryptophan residues were used to monitor the changes in local chemical environment of protein upon ligand binding [Zhu et al., Bioorg. Chem., 68:259-265; Tyler et al., Biochemistry, 49:951-957]. The protein concentration was kept at a constant. Changes in fluorescence were measured upon titration of tested compound to protein solution. Fluorescence was measured by a PE fluorescence spectrophotometer.
7805	1	In-vitro Monoamine Oxidase Inhibition Assay	The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 &#956;L of the total reaction mixture. For each assay, mixture was composed of 136 &#956;L of 50 mM phosphate buffer (pH 7.4), 2 &#956;L of test compound(0.1 mM) and 45 &#956;L of enzyme pre-incubated at 37 °C for 10 min. The enzymatic reaction was initiated by the addition of 5 &#956;L of the substrate (p-tyramine 3 mM) and 12 &#956;L of Amplex Red reagent and further incubated at 37 °C for 10 min. Consequently the production of H2O2 and resorufin was measured using microplate fluorescence reader (FLx 800, Bio-Tek Instruments, Inc., Winooski, USA) based on the fluorescence produced at excitation and emission wavelength of 544 nm and 590 nm, respectively. For all the test compounds, assay was performed in triplicate.
7806	2	Fluorometric Activity Assay	A FLUOR DE LYS fluorometric activity assay kit (HDAC source: HeLa cell nuclear extract) and a FLUOR DE LYS HDAC1 fluorometric drug discovery assay kit (HDAC source: human recombinant HDAC1) were purchased from Enzo Life Sciences (Farmingdale, NY). HDAC inhibition assay was performed according to the instruction manuals. All samples were dissolved in dimethyl sulfoxide, except for 1 and 2, which were dissolved in the assay buffers provided. All assays were performed in triplicate, and errors were calculated as standard deviation.
7806	1	Colorimetric 5-LO Assay	A colorimetric 5-LO assay kit (Lipoxygenase Inhibitor Screening Assay Kit) and potato 5-LO isolate were purchased from Cayman Chemicals (Ann Arbor, MI). 5-LO inhibition assay was performed according to the instruction manuals. All samples were dissolved in dimethyl sulfoxide, except for 1 and 2, which were dissolved in the assay buffers provided. All assays were performed in triplicate, and errors were calculated as standard deviation.
7807	1	DNA Polymerase Assay	The RNA-dependent DNA polymerase (RDDP) activity associated with HIV-1 RT was measured by use of the Invitrogen EnzCheck Reverse Transcriptase Assay Kit, as described [Costi et al., J. Med. Chem., 56:8588-8598], in a 50 mL volume containing Tris HCl (pH 8.1, 60 mm), MgCl2 (8 mm), KCl (60 mm), DTT (13 mm), dTTP (100 mm), HIV-1 RT (2 nm) and poly(A)-oligo(dT). The reaction mixture was incubated for 30 min at 37 °C. The enzymatic reaction was stopped by addition of EDTA, and products were measured with a Victor 3 (Perkin- Elmer) at 502/523 nm after picogreen addition [Esposito et al., Pathog. Dis., 68:116-124; Xu et al., J. Microbiol., 53:288-293].
7807	2	RNAse H-Polymerase-Independent Cleavage Assay	The RNase H activity associated with HIV-1 RT was measured in a 100 mL reactionvolume containing Tris HCl (pH 7.8, 50 mm), MgCl2 (6 mm), dithiothreitol (DTT, 1mm), KCl (80 mm), hybrid RNA:DNA (5&#39;-GTTTT CTTTT CCCCC CTGAC-3&#39;-fluorescein, 5&#39;-CAAAA GAAAA GGGGG GACUG-3&#39;-Dabcyl) and RT (3.8 nm). The reaction mixture was incubated for 1 h at 37 °C, the reaction was stopped by addition of EDTA, and products were measured with a multilabel counter plate reader (Victor 3, PerkinElmer) at &#955;ex=490 nm and &#955;em=528 [[Esposito et al., Pathog. Dis., 68:116-124; Xu et al., J. Microbiol., 53:288-293].
7808	1	Protease Inhibition Assay	The inhibition of plasma kallikrein and coagulation factor FXII was assessed by incubating the proteases with bicyclic peptide (twofold dilutions) and measuring the residual protease activity with fluorogenic substrates. The inhibition assays were performed in buffer (150 mL) containing Tris HCl (pH 7.4, 10 mm), NaCl (150 mm), MgCl2 (10 mm), CaCl2 (1 mm), bovine serum albumin (BSA, 0.1 %, w/v), Triton-X100 (0.01%, v/v), and DMSO (5 %, v/v). Final concentrations of human plasma kallikrein (Innovative Research) and human FXII (Innovative Research)were 0.25 nm and 10 nm, respectively. The fluorogenic substrates Z-Phe-Arg-AMC (plasma kallikrein) and Z-Gly-Gly-Arg-AMC (FXII) were used at a final concentration of 50 mm. Fluorescence intensity was measured with a Tecan Infinite M 200 Pro plate reader (&#955;ex= 368 nm, &#955;em=468 nm).
7809	1	In Vitro Cell-Free Assay	In a final reaction volume of 50 &#956;l, CK2 &#945;&#945;&#946;&#946; (4 ng, 8.5 mU) was incubated with various concentrations of test compounds in DMSO (1 ul, 2% by volume), 20 mM MOPS pH 7.2, 10 mM EGTA, 0.15 M NaCl, 10 mM DTT, 0.002% Brij-35, 200 &#956;M RRRDDDSDDD (SEQ ID NO.: 4), 10 mM MgAcetate, ATP 15 uM and 0.33% (by volume) (hr-3311ATP: Stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer)). Reactions were maintained for 40 min at 23° C. The reactions were quenched with 100 ul of 0.75% Phosphoric acid, then transferred to and filtered through a Phosphocellulose filter plate (Millipore, MSPH-N6B-50). After washing each well 4 times with 0.75% Phosphoric acid, scintillation fluid (20 uL) was added to each well and the residual radioactivity was measured using a Wallac luminescence counter.
7809	3	Inhibition Assay	5 uM ATP: Test compounds dissolved and diluted in DMSO (2 &#956;l) were added to a reaction mixture comprising 10 &#956;l of 5× Reaction Buffer (40 mM MOPS pH 7.0, 5 mM EDTA), 10 &#956;l of recombinant human PIM2 solution (4 ng PIM-2 dissolved in dilution buffer (20 mM MOPS pH 7.0; EDTA 1 mM; 5% Glycerol; 0.01% Brij 35; 0.1%; 0.1% 2-mercaptoethanol; 1 mg/ml BSA)) and 8 ul of water. Reactions were initiated by the addition of 10 ul of ATP Solution (49% (15 mM MgCl2; 5 uM ATP) 1% ([&#947;-33P]ATP: Stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer)) and 10 ul of substrate peptide solution (RSRSSYPAGT (SEQ ID NO.: 6), dissolved in water at a concentration of 1 mM), Reactions were maintained for 10 min at 30° C. The reactions were quenched with 100 ul of 0.75% Phosphoric acid, then transferred to and filtered through a Phosphocellulose filter plate (Millipore, MSPH-N6B-50). After washing each well 4 times with 0.75% Phosphoric acid, scintillation fluid (20 uL) was added to each well and 
7809	4	Inhibition Assay	30 uM ATP: In a final reaction volume of 50 ul, recombinant PIM-1 (1 ng) was incubated with 12 mM MOPS pH 7.0, 0.4 mM EDTA, glycerol 1%, brij 35 0.002%, 2-mercaptoethanol 0.02%, BSA 0.2 mg/ml, 100 uM KKRNRTLTK (SEQ ID NO.: 5), 10 mM MgAcetate, 30 uM ATP, [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol), DMSO 4% and test inhibitor compound at the required concentration. The reaction was initiated by the addition of the Magnesium ATP mixture. After 40 min incubation at 23° C., the reactions were quenched by the addition of 100 ul 0.75% Phosphoric acid, and the labeled peptide collected by filtration through a phosphocellulose filter plate. The plate was washed 4 times with 0.075% phosphoric acid (100 ul per well) and then, after the addition of scintillation fluid (20 ul per well), the counts were measured by a scintillation counter.
7811	1	Inhibition Assay	V79 MZh11B1 and V79 MZh 11B2 cells (8&dot;10^5 cells per well) were grown to confluency on 24-well cell culture plates with 1.9 cm^2 culture area per well (Nunc, Roskilde, Denmark). Before the test, the DMEM culture medium present was removed, and 450 &mu;l of fresh DMEM with inhibitor was added for at least three concentrations to each well to determine the IC50. After preincubation (60 min, 37 &deg;C.), the reaction was started by adding 50 &mu;l of DMEM with 2.5 &mu;l of solution of the substrate 11-deoxycorticosterone (20 &mu;M, containing 1.25 nCi of [4-14C]11-deoxycorticosterone in ethanol). Thereafter, the plate was stored at 37 &deg;C. and 5% CO2 in a CO2 incubator. The V79 MZh 11B1 cells were incubated for 120 min, and the V79 MZh 11B2 cells were incubated for 40 min. Controls without inhibitor were treated in the same way. The enzyme reactions were quenched by extracting the supernatant with 500 &mu;l of EtOAc. The samples were centrifuged (10,000 g, 2 min), the solvent was removed and evaporated. The residue was taken up in 10 &mu;l of chloroform and analyzed by HPTLC (see below).
7811	2	CYP17 Inhibition Assay	A solution of 6.25 nmol of progesterone (in 5 &mu;l of MeOH) was dissolved in 140 &mu;l of phosphate buffer (0.05 M; pH 7.4; 1 mM MgCl2; 0.1 mM EDTA and 0.1 mM DTT) and preincubated for 5 min at 37 &deg;C. together with 50 &mu;l of NADPH-regenerating system (phosphate buffer with 10 mM NADP&reg;, 100 mM glucose-6-phosphate and 2,5 units of glucose-6-phosphate dehydrogenase) and inhibitor (in 5 &mu;l of DMSO). Control incubations were performed in parallel with 5 &mu;l DMSO without inhibitor. The reaction was started by adding 50 &mu;l of a membrane suspension diluted 1 to 5 in phosphate buffer (0.8 to 1 mg of protein per ml). After thoroughly mixing the components, the mixture was incubated at 37 &deg;C. for 30 min. The reaction was quenched by adding 50 &mu;l of 1 N HCl. The steroids were extracted with 1 ml of EtOAc. After a centrifugation step (5 min at 2,500 g), 900 &mu;l of the organic phase was transferred into an Eppendorf vessel with 250 &mu;l of the incubation buffer and 50 &mu;l of 1 N HCl and again shaken. After the centrifugation, 800 &mu;l of the organic phase was removed, placed into a new vessel and evaporated to dryness. The samples were dissolved in 50 &mu;l of a water-methanol mixture (1:1) and analyzed by HPLC.
7811	3	CYP19 Inhibition Assay	The enzyme was obtained from the microsome fraction of fresh human placenta (St. Josephs Krankenhaus, Saarbrucken-Dudweiler, Germany) according to the method of Thompson and Siiteri (Thompson, E. A. & Siiteri, P. K., J. Biol. Chem. 249: 5364-5372 (1974)). The isolated microsomes were suspended in a mini mum volume of phosphate buffer (0.05 M; pH 7.4; 20% glycerol). In addition, DTT (10 mM) and EDTA (1 mM) were added to protect the enzyme from degradation reactions. The protein concentration was determined according to Lowry et al. (Lowry, O. H. et al., J. Biol. Chem. 193: 265-275 (1951)) and should be about 35 mg/ml after the processing.
7811	4	In Vitro Inhibition Assay	A suspension of fission yeast (S. pombe PE1) with a cell density of 3&dot;10^7 cells/ml was prepared on a freshly grown culture using fresh EMMG (pH 7.4) as modified according to Ehmer et al. (Ehmer, P. B. et al., 1. Steroid. Biochem. Mol. Biol. 81, 173-179 (2002)). 492.5 &mu;l of this cell suspension was admixed with 5 &mu;l of inhibitor solution (50 &mu;M of the compound to be tested in ethanol or DMSO) and incubated at 32 &deg;C. for 15 min. Controls were admixed with 5 &mu;l of ethanol. The enzyme reaction was started by adding 2.5 &mu;l of 11-deoxycorticosterone (20 &mu;M, containing 1.25 nCi of [4-14C]11-deoxycorticosterone in Ethanol), followed by horizontal shaking at 32 &deg;C. for 6 h. The test was quenched by extracting the sample with 500 &mu;l of EtOAc. After centrifugation (10,000 g, 2 min), the EtOAc phase was removed and evaporated to dryness.
7812	1	In Vitro HotSpot Kinase Assay	IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. 
7813	1	Human ACC1 Enzyme Assay	For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2.5 &mu;l of a solution of hACC1 in assay buffer [50 mM HEPES/NaOH pH 7.5, 2 mM MgCl2, 2 mM potassium citrate, 12 mM NaHCO3, 2 mM dithiothreitol (DTT), 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 2.5 &mu;l of a solution of adenosine triphosphate (ATP, 100 &mu;M=>final concentration in 5 &mu;l of assay volume: 50 &mu;M) and acetyl-CoA (20 &mu;M=>final concentration in 5 &mu;l assay volume: 10 &mu;M) in assay buffer, and the resulting mixture was incubated at 22 &deg;C. for the reaction time of 45 min. The concentration of the hACC1 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the range of 1.75 &mu;l. The reaction was stopped by addition of 2.5 &mu;l of the "ADP-GLO reagent" (1:1.5-times diluted), and the resulting mixture was incubated at 22 &deg;C. for 1 h to convert the unreacted ATP completely into cAMP. 2.5 &mu;l of the "kinase detection reagent" were then added (1.2-times more concentrated than recommended by the manufacturer), the resulting mixture was incubated at 22 &deg;C. for 1 h and the luminescence was then measured using a suitable measuring instrument (Viewlux or Topcount from Perkin-Elmer or Pherastar from BMG Labtechnologies).
7813	2	Human ACC2 Enzyme Assay	For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2.5 &mu;l of a solution of hACC2 in assay buffer [50 mM HEPES/NaOH pH 7.5, 2 mM MgCl2, 2 mM potassium citrate, 12 mM NaHCO3, 2 mM dithiothreitol (DTT), 0.005% (w/v) bovine serum albumin (BSA)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 2.5 &mu;l of a solution of adenosine triphosphate (ATP, 100 &mu;M=>final concentration in 5 &mu;l of assay volume: 50 &mu;M) and acetyl-CoA (20 &mu;M=>final concentration in 5 &mu;l assay volume: 10 &mu;M) in assay buffer, and the resulting mixture was incubated at 22 &deg;C. for the reaction time of 45 min. The concentration of the hACC2 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the range of 2 ng/&mu;l. The reaction was stopped by addition of 2.5 &mu;l of the "ADP-GLO reagent" (1:1.5-times diluted), and the resulting mixture was incubated at 22 &deg;C. for 1 h to convert the unreacted ATP completely into cAMP. 2.5 &mu;l of the "kinase detection reagent" were then added (1.2-times more concentrated than recommended by the manufacturer), the resulting mixture was incubated at 22 &deg;C. for 1 h and the luminescence was then measured using a suitable measuring instrument (Viewlux or Topcount from Perkin-Elmer or Pherastar from BMG Labtechnologies).
7815	1	ThermoFluor&reg; Assay	Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &deg;C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500&plusmn;25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature. Reference wells contained ROR&gamma;t without compounds, and the assay conditions were as follows: 0.065 mg/mL ROR&gamma;t, 60 &mu;M 1,8-ANS, 100 mM Hepes, pH 7.0, 10 mM NaCl, 2.5 mM GSH, 0.002% Tween-20. Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high concentration of 10 mM over 12 columns within a series (column 12 is a reference well containing DMSO, no compound). The compounds were robotically dispensed directly into assay plates (1&times;=46 nL) using a Hummingbird capillary liquid handling instrument (Digilab). Following compound dispense, protein and dye in buffer was added to achieve the final assay volume of 3 &mu;L, followed by 1 &mu;L of silicone oil.
7816	1	In Vitro ORL-1 Receptor Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 &mu;g membrane protein in a final volume of 500 &mu;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25 &deg;C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 &mu;L ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. Fifty &mu;L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well.
7816	3	In Vitro Mu-Opioid Receptor Binding Assay	Radioligand binding assays were conducted using freshly thawed membranes expressing human &mu;-receptors (Perkin Elmer, Shelton, Conn.). Radioligand dose-displacement binding assays for human &mu;-opioid receptors used 0.2 nM [3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 &mu;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at about 25 &deg;C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 &mu;L of ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 &mu;L/well), and plates were counted using a Packard Top-Count for 1 min/well.
7816	5	In Vitro Kappa-Opioid Receptor Binding Assay	Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 &mu;g membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &mu;L binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &mu;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25 &deg;C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200 &mu;L ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 1-2 hours. Fifty &mu;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
7816	7	In Vitro Delta-Opioid Receptor Binding Assay	Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &mu;g membrane protein (recombinant delta opioid receptor expressed in CHO-K1 cells; Perkin Elmer) in a final volume of 500 &mu;L binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &mu;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25 &deg;C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 &mu;L ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 1-2 hours. Fifty &mu;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
7816	2	In Vitro ORL-1 Receptor Functional Assay	ORL-1 membrane solution was prepared by sequentially adding final concentrations of 0.066 &mu;g/&mu;L ORL-1 membrane protein, 10 &mu;g/mL saponin, 3 &mu;M GDP and 0.20 nM [35S]GTP&gamma;S to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 &mu;L/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;L of 20&times; concentrated stock solutions of agonist/nociceptin prepared in DMSO. Plates were incubated for 30 min at about 25 &deg;C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Packard) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 &mu;L ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. Fifty &mu;L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in Packard Top-Count for 1 min/well.
7816	4	In Vitro Mu-Opioid Receptor Functional Assay	[35S]GTP&gamma;S functional assays were conducted using freshly thawed membranes expressing human &mu;-receptors. Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTP&gamma;S (0.20 nM; NEN). The prepared membrane solution (190 &mu;L/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;L of 20&times; concentrated stock solutions of the agonist DAMGO ([D-Ala2, N-methyl-Phe4 Gly-o15]-enkephalin) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25 &deg;C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Packard, Meriden, Conn.) using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by three filtration washes with 200 &mu;L of ice-cold wash buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 &deg;C. for 2-3 hr. BetaScint scintillation cocktail (Wallas, Turku, Finland) was added (50 &mu;L/well) and plates were counted using a Packard Top-Count for 1 min/well.
7816	6	In Vitro Kappa-Opioid Receptor Functional Assay	Kappa opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 &mu;g/&mu;L kappa membrane protein (in-house), 10 &mu;g/mL saponin, 3 &mu;M GDP and 0.20 nM [35S]GTP&gamma;S to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 &mu;L/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;L of 20&times; concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25 &deg;C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Packard) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 &mu;L ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. Fifty &mu;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
7817	1	PMSA Inhibition Assay	For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 &mu;M NAAG to a final volume of 100 &mu;L. Then, 25 &mu;L of this solution was transferred to each of three wells in a microtiter plate, and 5 &mu;L aliquots were serially diluted into 20 &mu;L of solution containing 40 &mu;M NAAG over 10 wells (5-fold dilutions). Inhibitor concentration therefore ranged over 6 orders of magnitude in these experiments. rhPSMA (20 ng/mL in Reaction Buffer, 20 &mu;L, R&D Research) was then added to each well. The plate was incubated at room temperature for 15 min, and then heated to 95 &deg;C. for 3 minutes. The plate was allowed to cool to room temperature, and glutamic acid levels were measured using a commercially available Amplex&reg; &minus; Red Glutamic Acid/Glutamate Oxidase Assay Kit (Invitrogen). Fluorescence intensities were measured using a Synergy 2 multiwell plate reader (Biotek), fitted with excitation and emission filters of 545 nm and 590 nm, respectively. Ki values were obtained from IC50 values using the Cheng-Prusoff equation, a substrate concentration of 20 &mu;M, and a Km value of 0.925 &mu;M.
7818	1	Bromodomain Domain Binding Assay	A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Table 1 for each bromodomain of human BRD4. His-tagged first (BD1: amino acids K57-E168) and second (BD2: amino acids E352-E168) bromodomains of human BRD4 were expressed and purified. An Alexa647-labeled BET-inhibitor was used as the fluorescent probe in the assay. Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) to yield 3&times; working solutions. Six microliters (L) of the working solution was then transferred to white, low-volume assay plates (Costar #3673). A 1.5&times; assay mixture containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and the Alexa-647-conjugated probe molecule was also prepared. Twelve L of this solution were added to the assay plate to reach a final volume of 18 L. The final concentration of 1&times; assay buffer contains 2% DMSO, 50 M-0.85 nM compound, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively). After a one-hour incubation at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
7819	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The beta secretase enzyme (0.2 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm).
7819	2	Fluorescence Resonance Energy Transfer (FRET) Assay	Recombinant CathepsinD was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CathepsinD enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for CathepsinD) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. 
7820	1	MAO-B Inhibition Assay	Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for human SSAO/VAP-1 (Example 5) except, the substrate benzylamine was used at 100 &mu;M. Briefly, in a standard 96 well plate assay 50 &mu;L of purified human SSAO/VAP-1 (0.25 &mu;g/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 &deg;C. After 30 min incubation, 50 &mu;L of the reaction mixture containing 600 &mu;M benzylamine (Sigma Aldrich), 120 &mu;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 &deg;C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
7820	2	Recombinant SSAO/VAP-1 Inhibtion Assay	Briefly, HMEC cell expressing human SSAO/VAP-1 were grown in several 10 cm petri dishes, once the cells reached 100% confluency, cells were harvested and homogenates were prepared. Cells were washed twice with 5 mL of chilled HES buffer (20 mM HEPES, 1 mM EDTA, 250 mM sucrose, pH 7.4). HES buffer containing 1&times; protease inhibitor (Sigma Aldrich) and added and cells were incubated on ice for 3 min. Buffer was removed and cells were scraped and transferred to a centrifuge tube. Cell lysates were prepared by passing through 23 G needle for, 10 times and followed by 27 G needle for 10 times. Alternatively the cell lysates were prepared by using IKA Ultra-Turrax T 10 homogenizer for 3 min for every 10 mL of cell suspensions. Cells were then spun for 5 min at 300&times;g. The clear supernatant was transferred to new centrifuge tube and stored at &minus;80 &deg;C. until colorimetric assay was performed. Prior to the assay, 0.5 mM pargyline was added in order to inhibit any residue MAO activities. Briefly, 50 &mu;L of cell lysate was incubated with test compounds for 30 min at 37 &deg;C. Reaction mixtures were added and kinetic was read as described in detail in Example 5: Briefly, in a standard 96 well plate assay 50 &mu;L of purified human SSAO/VAP-1 (0.25 &mu;g/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 &deg;C. After 30 min incubation, 50 &mu;L of the reaction mixture containing 600 &mu;M benzylamine (Sigma Aldrich), 120 &mu;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 &deg;C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
7820	3	Recombinant SSAO/VAP-1 Inhibition Assay in Rat Fat	Abdominal fat from BALB/c mice, Wistar or Sprague Dawley rats, which are tissues enriched with SSAO/VAP-1-were surgically removed. For every gram of animal abdominal fat tissue, 1 mL of 0.1 M NaPO4 buffer (pH 7.4) was added. Tissues were homogenized using IKA Ultra-Turrax T 10 homogenizer for 3 min, homogenate was centrifuged for 15 min at 3000&times;g. The middle layer (clear supernatant) was removed without disturbing the top layer (high fat content) or the debris on the bottom of the tube. SSAO/VAP-1 activity was determined by checking the fluorescent signal. Km/Vmax values were determined and the fat homogenate was aliquoted and stored at &minus;80 &deg;C until assays were performed. Assay was performed in a similar fashion as for human SSAO/VAP-1 (Example 5) except, the substrate (benzylamine) concentrations used for mouse fat homogenate and rat fat homogenate were 80 &mu;M and 30 &mu;M respectively: Briefly, in a standard 96 well plate assay 50 &mu;L of purified human SSAO/VAP-1 (0.25 &mu;g/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 &deg;C. After 30 min incubation, 50 &mu;L of the reaction mixture containing 600 &mu;M benzylamine (Sigma Aldrich), 120 &mu;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 &deg;C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
7820	4	DAO Inhibition Assay	Recombinant human DAO (2.4 &mu;g/mL) was used as source of DAO enzyme activities. The assay was performed as described in the method for human SSAO/VAP-1 (Example 5) except the substrate used was 200 &mu;M putrescine, and the control wells contained 10 &mu;M aminoguanidine instead of Mofegiline: Briefly, in a standard 96 well plate assay 50 &mu;L of purified human SSAO/VAP-1 (0.25 &mu;g/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 &deg;C. After 30 min incubation, 50 &mu;L of the reaction mixture containing 600 &mu;M benzylamine (Sigma Aldrich), 120 &mu;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 &deg;C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
7821	1	DGAT1 Inhibitory Assay	As a buffer to be used in the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH 7.4), 200 mM Sucrose, 20 mM MgCl2, 0.125% Bovine Serum Albumin (BSA) were used. To the buffer were added Test compound with a predetermined concentration as well as 15 &mu;M dioleoylglycerol, 5 &mu;M [14C]-palmitoyl-CoA, 100 &mu;g protein/nth DGAT1 highly expressed-expresSF+&reg; microsome, 0.75% acetone, and 1% dimethylsulfoxide, and triglyceride (TG) synthetic reaction was carried out at 30 &deg;C. for 20 minutes with a volume of 100 &mu;L. 90 &mu;L of the reaction solution was added to 810 &mu;L of methanol to stop the reaction. The reaction solution was added to Oasie&reg; &mu;Elution plate (available from Waters Corporation), and eluted with 150 &mu;L of a mixed solution of acetonitrile: isopropanol (=2:3). To elute was added 150 &mu;L of MicroScinti&trade;-40 (available from PerkinElmer Inc.), and after thoroughly stirring the mixture, a [14C]-TG amount formed by the reaction was quantitated by measuring the same using TopCount&trade;-NXT (available from PerkinElmer Inc.).
7814	1	[3H]Epibatidine Binding Assay	Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) containing 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, and 1 mM MgCl2 and sedimented at 37,000 g for 10 min at 4° C. The supernatant was discarded, the pellet resuspended in the original volume of buffer, and the wash procedure repeated twice more. After the last centrifugation, the pellet was resuspended in 1/10 its original homogenization volume and stored at &#8722;80° C. until needed. In a final volume of 0.5 mL, each assay tube contained 3 mg wet weight male rat cerebral cortex homogenate (added last), 0.5 nM [3H]epibatidine (NEN Life Science Products, Wilmington, Del.) and one of 10-12 different concentrations of test compound dissolved in buffer (pH 7.4 at room temperature) containing 10% DMSO resulting in a final DMSO concentration of 1%. Total and nonspecific bindings were determined in the presence of vehicle and 300 &#956;M (&#8722;)-ni
7814	2	[125I]Iodo-MLA Binding Assay	Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay buffer; pH 7.4 at 4° C.) containing 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, and 1 mM MgCl2. The homogenate was centrifuged at 35,000 g for 10 min at 4° C. and the supernatant discarded. The pellet was resuspended in the original volume of buffer and the wash procedure repeated twice more. After the last centrifugation step, the pellet was resuspended in one-tenth the original homogenization volume and stored at &#8722;80° C. until needed. Triplicate samples were run in 1.4-mL polypropylene tubes (Matrix Technologies Corporation, Hudson, N.H.). Briefly, in a final volume of 0.5 mL, each assay sample contained 3 mg wet weight rat cerebral cortex (added last), 40-50 pM [125I]MLA and 50 nM final concentration of test compound dissolved in buffer containing 10% DMSO, giving a final DMSO concentration of 1%. Total and nonspecific binding were deter
7822	1	In Vitro Urease Inhibition Assay	The assay mixture, containing 50 &#956;l (2 mg/ml) of enzyme and 100 &#956;l of different concentration of the tested agents, was added to 850 &#956;l of 25 mM urea and preincubated for 0.5 h in water bath at 37 °C. The urease reaction was stopped after 30 min incubation by the following procedure. After pre-incubation, 500 &#956;l of phenol reagent (1% w/v phenol and 0.005% w/v sodium nitroprusside) and 500 &#956;l of alkali reagent (1% w/v NaOH and 0.075% active chloride NaOCl) were added to100 &#956;l of incubation mixture and kept at 37 °C for 30 min. The absorbance (A) was measured at 625 nm by using following equation A = kbc, where c is the concentration of solution (mol/L), b the Length of the UV cell [Golbabaei et al., Daru., 21(1):2; Akhtar et al., Chem. Biol. Drug Des., 84:92-98]. All experiments were performed in triplicate in a final volume of 1 ml, and AHA was used as a standard urease inhibitor.
7824	1	In Vitro Kinase Screening Assay	A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 &#956;M SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH) and 0.1 &mu;g of purified SRPK1 (ProQinase, Freiburg, Germany). Candidate compounds were serially diluted from 10 &mu;M to 0.001 nM and added to the reaction mixture, wells with omitted SRPK1 kinase and omitted compounds were also added as controls. All wells contained 1% DMSO (Fisher Scientific, Loughborough, UK). 1 &mu;M ATP was added, wells minus ATP were used as background controls. The plate was then incubated at 30 &deg;C for 10 minutes. An equal volume of Kinase-Glo (25 &mu;L; Promega) was added to each well and the plate read for luminescence using a Fluostar Optima (BMG Labtech). Kinase binding assay was carried out by Kinomescan, Discoverex, at 1 &mu;M. Lack of interference with binding to the SRPK1 substrate was carried out using a dose response curve from 0.5-30 &mu;M.
7824	3	In Vitro Kinase Screening Assay	A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 &#956;M SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH) and 0.1 &mu;g of purified SRPK1 (ProQinase, Freiburg, Germany). Candidate compounds were serially diluted from 10 &mu;M to 0.001 nM and added to the reaction mixture, wells with omitted SRPK1 kinase and omitted compounds were also added as controls. All wells contained 1% DMSO (Fisher Scientific, Loughborough, UK). 1 &mu;M ATP was added, wells minus ATP were used as background controls. The plate was then incubated at 30 &deg;C for 10 minutes. An equal volume of Kinase-Glo (25 &mu;L; Promega) was added to each well and the plate read for luminescence using a Fluostar Optima (BMG Labtech). Radioactive kinase assays were carried out by the MRC Dundee Kinase Centre. Lack of interference with binding to the SRPK1 substrate was carried out using a dose response curve from 0.5-30 &mu;M.
7824	2	HERG Assay	Whole cell patch clamp recordings of hERG current (IhERG) were made at 37 &deg;C from human embryonic kidney cells (HEK 293) cells stably expressing hERG (generously donated by Dr Craig January).15 Cells were maintained in culture and prepared for electrophysiological recording as described previously [Cheng et al., Brit. J. Pharmacol., 165:2260-2273; Du et al., J. Cardiovasc. Electrophysiol., 22:1163-1170]. Cells were superfused with a normal Tyrode&#146;s solution containing (in mM) 140 NaCl, 4 KCl, 2 CaCl2, 1 MgCl2, 10 Glucose and 5 HEPES (titrated to pH 7.45 with NaOH). Patch-pipettes were filled with a K+-based dialysate containing (in mM): 130 KCl, 1 MgCl2, 5 EGTA, 5 MgATP and 10 HEPES (titrated to pH 7.2 with KOH). Pipette resistance typically ranged from 1.5&#150;3.5 MR and &#8764;70-80% series resistance could be compensated.
7825	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1&times;HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37 &deg;C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30 &deg;C. for 30 min. Compounds were added to a final assay volume of 100 &mu;l and incubated for 30 min at 30 &deg;C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &mu;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &mu;l detection solutions (20 &mu;M mAb Alexa700-cAMP 1:1, and 48 &mu;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 &mu;M to 0.13 nM cAMP.
7826	1	ThermoFluor&reg; Assay	ThermoFluor&reg; experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &mu;L, Fluka, type DC 200) to prevent evaporation. Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &deg;C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >60D cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500&plusmn;25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature. Reference wells contained ROR&gamma;t without compounds, and the assay conditions were as follows: 0.065 mg/mL ROR&gamma;t, 60 &mu;M 1,8-ANS, 100 mM Hepes, pH 7.0, 10 mM NaCl, 2.5 mM GSH, 0.002% Tween-20. Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high concentration of 10 mM over 12 columns within a series (column 12 is a reference well containing DMSO, no compound). The compounds were robotically dispensed directly into assay plates (1x=46 mL) using a Hummingbird capillary liquid handling instrument (Digilab). Following compound dispense, protein and dye in buffer was added to achieve the final assay volume of 3 &mu;L, followed by 1 &mu;L of silicone oil.
7826	2	ROR&gamma;t Reporter Assay	The reporter assay was performed by transiently transfecting HEK293T cells with 5 &mu;g of pBIND-ROR&gamma;t LBD or pBIND-ROR&gamma;t LBD-AF2 and 5 &mu;g pGL4.31 (Promega Cat no. C935A) using Fugene 6 (Invitrogen Cat no. E2691) at a 1:6 ratio of DNA: Fugene 6 in a T-75 flask in which cells were at least 80% confluent. Twenty four hours after bulk transfection, cells were plated into 96-well plates at 50,000 cells/well in phenol-red free DMEM containing 5% Lipid Reduced FCS and Pen/Strep. Six hours after plating, cells were treated with compounds for 24 hours. Media was removed and cells were lysed with 50 &mu;L 1x Glo Lysis Buffer (Promega). Dual Glo Luciferase Reagent (50 &mu;L/well) was then added and firefly luciferase luminescence was read on an Envision after a ten minute incubation. Finally, Stop and Glo reagent (50 &mu;L/well) was added and renilla luciferase luminescence was read on an Envision after a ten minute incubation.
7827	1	[3H]-Epibatidine Radioligand Binding Assay	Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4 &deg;C.). The cell suspension was centrifuged at 10,000&times;g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4 &deg;C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was ~500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 &mu;M nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). The Kd values for [3H]-epibatidine used for calculating Ki values of nAChR subtypes were 0.02 nM for &alpha;2&beta;2, 0.08 nM for &alpha;2&beta;4, 0.03 nM for &alpha;3&beta;2, 0.3 nM for &alpha;3&beta;4, 0.04 nM for &alpha;4&beta;2, 0.09 nM for &alpha;4&beta;4, 1.8 nM for &alpha;7 and 0.05 for rat forebrain.
7827	2	Functional Assay	The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing &#945;3&#946;4 and &#945;4&#946;2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 &#956;M (&#8722;)-nicotine, a near maximally effective concentration. The full concentration-effect curves generated potency (EC50) and efficacy (Emax) of each ligand. 
7827	3	Functional Assay	IC50(10&#8242;): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing &#945;3&#946;4 and &#945;4&#946;2 nAChR subtypes. The functional activity of each ligand was measured for its agonism, antagonism and desensitization ability. Agonist activity for each of the ligands was tested at eight different concentrations. The responses were compared to that stimulated by 100 &#956;M (&#8722;)-nicotine, a near maximally effective concentration. The potency (IC50(0&#8242;)) of each ligand as an antagonist was derived from the full concentration-effect curves. We determined the desensitization potency of each ligand by pre-treating cells with the test compound for 10 minutes before 100 &#956;M (&#8722;)-nicotine was applied. The potency of a ligand to desensitize the receptor after a 10 minute exposure (IC50(10&#8242;) was obtained with full concentration-effect curves using at least 8 concentrations of the ligand. 
7828	2	In Vitro Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 &mu;g/mL G418, 100 U/mL penicillin, 100 &mu;g/mL streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20'000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37 &deg;C. in 5% CO2. Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH:water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM. Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 &mu;l of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/l, 5 mM probenecid (Sigma) and 3 &mu;M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37 &deg;C. in 5% CO2 followed by equilibration at RT for 30 min before measurement. Within the Fluorescent Imaging Plate Reader (FLIPR Tetra, Molecular Devices), antagonists are added to the plate in a volume of 10 &mu;l/well, incubated for 10 min and finally 10 &mu;l/well of agonist is added. Fluorescence is measured for each well at 1 second intervals, and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 3 nM orexin-A with vehicle in place of antagonist.
7828	1	In Vitro Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 &mu;g/mL G418, 100 U/mL penicillin, 100 &mu;g/mL streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20'000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37 &deg;C. in 5% CO2. Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH:water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM. Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 &mu;l of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/l, 5 mM probenecid (Sigma) and 3 &mu;M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37 &deg;C. in 5% CO2 followed by equilibration at RT for 30 min before measurement. Within the Fluorescent Imaging Plate Reader (FLIPR Tetra, Molecular Devices), antagonists are added to the plate in a volume of 10 &mu;l/well, incubated for 120 min and finally 10 &mu;l/well of agonist is added. Fluorescence is measured for each well at 1 second intervals, and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 3 nM orexin-A with vehicle in place of antagonist.
7829	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 &#956;M (2× starting concentration; 10% DMSO) and 10 &#956;L were transferred into a 384-well plate. Then 10 &#956;L of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probed antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters.
7831	1	In Vitro Inhibition of Ca Flux Assay	The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux activity of 3HT3a receptor expressed in HEK-293T cells. HEK-293T cells were transfected with the 5HT3a expression construct using Xtreme Gene 9 (Roche) in 150 mm tissue culture treated plates and incubated for 24 hours at 37 &deg;C. Cells were then split and plated at a density of 60K cells/well in poly-lysine coated, black 96-well plates with clear bottoms (BD BioSciences) and incubated overnight at 37 &deg;C. Growth media was removed and cells loaded with 200 uL calcium indicator dye in HBSS containing 20 mM HEPES (Calcium 5 Assay kit, Molecular Devices) and incubated at 37 &deg;C. for 1 hour. While cells were incubating, the 10&times; antagonist and agonist/antagonist addition plates were made. For 10&times; antagonist plate: half log serial dilutions (final concentrations range from 10&minus;7 through 10&minus;10 with the bottom well a negative, no ligand control) were made from test compounds in DMSO at a 1000&times; concentration and then diluted to 10&times; in HBSS/20 mM HEPES. For addition plate: 5HT was diluted to 100&times; in HBSS/20 mM HEPES (final concentration in the assay&minus;216 nM) and 15 uL was added to each well of the addition plate, 15 uL of 10&times; compound was also added to the addition plate, and finally 120 uL of HBSS/20 mM HEPES (for a total of 150 uL). Cells were then removed from the incubator and equilibrated to room temperature for 10 minutes, then 22.5 uL of 10&times; test compounds were added in triplicate to the plates and incubated at room temperature for 10 minutes (Tropisetron was used as a positive control in every assay). Test plate and addition plate were loaded into the FlexStation III (Molecular Devices), and using the fluidics, 22.5 uL compound additions were made (at t=~17 seconds), and fluorescence was measured for 90 seconds, reading every 2.2 seconds.
7832	1	Amplified Luminescence Proximity Homogeneous Assay	B-Raf (V600E; 4 &mu;M) and biotinylated Mek (kinase dead; 10 nM) were combined at 2&times; final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 10 &mu;l per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.5 &mu;l of 40&times; of a compound of the invention diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature. The B-Raf kinase activity reaction was started by the addition of 10 &mu;l per well of 2&times;ATP (10 &mu;M) diluted in assay buffer. After 3 hours, the reactions were stopped with the addition of 10 &mu;l of stop reagent (60 mM EDTA, 0.01% Tween20). Phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 30 &mu;l to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:1000 dilution of both beads) in bead buffer (50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and the plate was incubated for 1 hour at room temperature.
7833	1	Calcium Mobilization Assay	Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of CXCR4. Generally, the assay is carried out as follows: Cells are grown in vitro to confluency. On the day of the assay, cells are removed from the incubator, culture medium removed and replaced with a calcium sensitive dye (Calcium3 assay kit; Molecular Devices, Sunnyvale, Calif.). The cells are allowed to dye load for 45-60 min at 37 &deg;C. in the cell culture incubator and then allowed to equilibrate to room temperature for no more than 15 min before assay. Compound plates were generated containing up to 3% dimethyl sulfoxide in media kept at room temperature. Test compounds were added to the cells at a 1:3 dilution, and calcium mobilization was measured using a Flex Station fluorescence imager (Molecular Devices). This first read was used to determine direct agonist activation of the CXCR4 receptor by the test compounds.
7833	2	Inhibition Assay	This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change of impedance that is dependent on the activation of the CXCR4 receptor. This assay is contracted to MDS Pharma Services and performed as described in http://discovery.mdsps.com/Catalog/Services/Screening/CellKey/AssayDetails.aspxid=7 (Assay 930070). Briefly, human HeLa cells expressing endogenous CXCR4 are grown in vitro and receptor activation in live cells is measured using cellular dielectric spectroscopy (CDS). 
7833	3	In Vitro Assay	The in vitro effects of the selected compounds on the hERG (human ether- -go-go-related gene) potassium channel current (a surrogate for IKr, the rapidly activating, delayed rectifier cardiac potassium current) expressed in mammalian cells were evaluated at room temperature using the PatchXpress 7000A (Molecular Devices), an automatic parallel patch clamp system. Each compound was evaluated at varying concentrations in duplicate up to 10 &#956;M, and the duration of exposure to each test article concentration was 5 minutes.
7834	1	In Vitro Assay	Human SGLT-2 and SGLT-1 sequences were stably expressed in the CHO cells. The cell culture was conducted in a 96-well plate for 12 hr. The plate was washed with KRH Na+(Buffer A) or KRH-NMG (Buffer A&minus;) buffering solution for three times, 2004/well. Then the plate was added with a buffering solution containing Buffer A or Buffer A&minus; plus [14C]-AMG (10 &mu;Ci/mL), 100 &mu;L/well. The cell culture was conducted at 37 &deg;C. for 1 hr. Then, 100 &mu;L of an ice pre-cooled buffering solution (Buffer D) was added to terminate the assay. The plate was washed for five times. Then an ice pre-cooled lytic buffering solution (100 mM NaOH solution) was added, 20 &mu;L/well, and the centrifugation at 600 rpm was conducted for 5 mins. Then Microscint 40 solution was added, 80 &mu;l/well, and the centrifugation at 600 rpm was conducted for 5 mins. Finally, the radioactivity of [14C]-AMG was detected with MicroBeta Trilux (purchased from PerkinElmer Co. Ltd.) according to the scintillation counting method, and the half-inhibition concentration IC50 was calculated.
7835	1	Adrenergic Receptor Binding Assay	The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are overexpressed (Perkin Elmer). The membrane suspensions (16 &mu;g/well for beta1 and 5 &mu;g/well for beta2) in assay buffer (75 mM Tris/HCl with 12.5 mM MgCl2 and 2 mM EDTA pH=7.4) were incubated with 0.14 or 0.6 nM of 3H-CGP12177 (Amersham) for beta 1 and beta 2 receptors respectively in a final volume of 250 &mu;l, in GFC Multiscreen 96 well plates (Millipore) previously treated with assay buffer containing 0.3% PEI (Sigma). Non specific binding was measured in the presence of 1 &mu;M propanolol. Incubation was maintained for 60 minutes at room temperature and with gentle shaking. The binding reactions were terminated by filtration and washing with 2.5 volumes of Tris/HCl 50 mM pH=7.4.
7835	2	Muscarinic Receptor Binding Assay	The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1 cells. Radioligand binding experiments were conducted in 96 polypropylene well plates in a total volume of 200 &mu;l. All reagents were dissolved in assay binding buffer (PBS with calcium and magnesium, SIGMA), except compounds that were dissolved in DMSO 100%. Non-specific binding (NSB) was measured in the presence of 1 &mu;M atropine. [3H]-NMS was used as the radioligand at a concentration of 1 nM for M2, M3 and M5 and 0.3 nM for M1 and M4. [3H]-NMS and antagonists were incubated with membranes that express human muscarinic receptors M1, M2, M3, M4 and M5 at concentrations of 8.1, 10, 4.9, 4.5 and 4.9 &mu;g/well, respectively. After an incubation period of two hours with gentle shaking, 150 &mu;l of the reaction mix were transferred to 96 GF/C filter plates (Millipore), previously treated with wash buffer (Tris 50 mM; NaCl 100 mM; pH: 7.4), containing 0.05% PEI (Sigma) during one hour. Bound and free [3H]-NMS were separated by rapid vacuum filtration in a manifold from Millipore and washed four times with ice cold wash buffer. After drying 30 min, 30 &mu;l of OPTIPHASE Supermix were added to each well and radioactivity quantified using a Microbeta microplate scintillation counter.
7836	1	GTP&#947;S Binding Assay	Test method: wetting membranes by saponin solution, and preparing [35S]-GTP&#947;S in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 &#956;L was added to 96-well (containing 5 &#956;g membrane protein with high-expressed S1P1). 25 &#956;L, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 &#956;L [35S]-GTP&#947;S was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
7836	2	&#946;-Arrestin Assay	Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 &#956;L cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 &#956;L test compound dissolved in DMSO was added in; 10 &#956;L DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 &#956;L detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
7830	1	IonWorks Quattro Assay	CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neher E, Sakmann B and Sigworth F. Improved patch-clamp techniques for high resolution current recording from cells and cell-free membrane patches. Pflugers Archive 1981 391: 85-100). This assay directly measures the currents associated with chloride flow through CFTR channels whilst either maintaining or adjusting the transmembrane voltage. This assay can use either single glass micropipettes or parallel planar arrays to measure CFTR activity from native or recombinant cell systems. Currents measured using parallel planar arrays can be quantified using an appropriately equipped instrument such as the IonWorks Quattro (Molecular Devices Corporation, Sunnyvale, Calif.). The Quattro system can measure CFTR currents from either a single cell per recording well (HT configuration) or alternatively from a population of 64 cells per well (Populatio
7838	1	AChE and BChE Inhibition Assay	In vitro anti-AChE activity was performed based on the modified Ellman's method [Ellman et al., Biochem. Pharmacol., 71:88-95]. For this purpose, synthesized compounds 6 were dissolve in a mixture of DMSO (5 mL) and methanol (5 mL) and diluted in 0.1 M KH2PO4/K2HPO4 buffer (pH 8.0). Each well contained 50 &mu;L potassium phosphate buffer (KH2PO4/K2HPO4, 0.1 M, pH 8), 25 &mu;L prepared sample as described above, 25 &mu;L enzyme with final concentration of 0.22 U/mL in buffer. They were preincubated for 15 min at room temperature, and then 125 L DTNB (3 mM in buffer) was added. Characterization of the hydrolysis ofATCI catalyzed by AChE was performed spectrometrically at 405 nm followed by the addition of substrate (ATCI 3 mM in water). The change in absorbance was measured at 405 nm after 15 min. The IC50 values were determined graphically from inhibition curves (log inhibitor concentration vs. percent of inhibition). A control experiment was performed under the same conditions without inhibitor and the blank contained buffer, water, DTNB, and substrate. The described method was also used for BChE inhibition assay. For all compounds, four different concentrations were tested for each compound in triplicate to obtain the range of 20%&minus;80% inhibition for AChE.
7839	1	COX Inhibition Assay	The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N&#39;,N&#39;-tetramethyl-pphenylenediamine (TMPD) at 590 nm. It is based on the oxidation of TMPD during the reduction of Prostaglandin G2 (PGG2) to Prostaglandin H2 (PGH2). The assay was performed in duplicate according to the manufacturer&#39;s guidelines.
7840	1	Thymidine Phosphorylase Inhibition Assay	TP inhibition assay was performed spectrophotometrically in 96-well plate. The method of Bera et al. was followed with slight modifications [Bera et al., Chem. Biol. Drug Des., 82:351-360]. The total reaction volume was 200 &#956;L. 20 &#956;L of TP enzyme (0.058 unit/well) was incubated with 10 &#956;L of test compounds (0.5 mM) for 10 min at 30  C. Thereafter, thymidine (20 &#956;L; 1.5 mM) was added and changes in absorbance were observed for 10 min at 290 nm in 96-well ELISA plate reader (Spectramax, Molecular Devices, CA, USA). Every experiment was run in triplicate. 7-Deazaxanthine was used as a reference.
7840	2	Kinetic Assay	In kinetic assay, the TP enzyme (0.058 U/well) was incu- bated with different concentrations of inhibitor (0.5 0.001 mM) for 10 min at 30 C. The reaction was then initiated by adding different concentrations of substrate (0.1875 1.5 mM). Degradation of thymidine was measured continuously at 290 nm for 10 min on ELISA plate reader [Bera et al., Chem. Biol. Drug Des., 82:351-360].
7841	1	Esterase Activity Assay	Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in previous studies [Innocenti et al., Bioorg. Med. Chem., 18:2159-2164; Ak&inodot;nc&inodot;o&gbreve;lu et al., Arch. Pharm., 347:68-76; Ak&inodot;nc&inodot;o&gbreve;lu et al., Bioorg. Med. Chem., 21:1379-1385]. The differences in absorbances due to the hCA I and II isoenzyme activities converting 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion at 348 nm were observed in 3 min duration at room temperature using a spectrophotometer (Shimadzu, UVmini-1240 UV-VIS) [&Ccedil;etinkaya et al., Arch. Pharm., 347:354-359; Aksu et al., Bioorg. Med. Chem., 21:2925-2931]. The reactants were 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL 3 mM NPA, 0.5 mL H2O and 0.1 mL enzyme solution making a total volume of 3 mL. A cuvette containing all reactants without the enzyme solution was used as blank. For the determination of Ki values three different bromophenols concentrations with NPA as the substrate at five different concentrations were used for making of Lineweaver-Burk curves [Lineweaver et al., J. Am. Chem. Soc., 56:656-666] as previously described [Atasever et al., Food Chem., 136:864-870; Aydin et al., Int. J. Food Propert., 18:2735-2745].
7842	1	Baker's Yeast &alpha;-Glucosidase Inhibition Assay	The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight modification. Various concentration of test compounds (10 &mu;L) were dissolved in DMSO (ranging from 200 to 6.25 &mu;g/mL) and premixed with 95 &mu;L of 50 mM phosphate buffer (pH 6.8). Then, 25 &mu;L of enzyme (0.0625 U/mL) in phosphate buffer saline was added into each well and the plate was incubated at 37 &deg;C for 10 min. Afterward, 25 &mu;l of PNPG in phosphate buffer saline (5 mM) were added and pre-read of the plate was taken by using a microplate reader (Spectrostar Nano BMG Labtech, Germany). The reaction mixture was then incubated at 37 &deg;C for 30 min and change in absorbance at 405 nm was monitored up to 30 min. For negative control, the test samples were replaced with 10 &mu;L of DMSO and acarbose was used as positive control. All experiments were triplicated and the results were expressed as the mean &plusmn; S.E.M of three determinations.
7843	1	In Vitro c-Met Enzyme Assay	The c-Met kinase activity as tested with enzyme-linked immunosorbent assays (ELISAs) as previously reported protocol [Qiang et al., Bioorg. Med. Chem., 24:3353-3358; Shi et al., Bioorg. Med. Chem., 22:4735-4744]. Briefly, reaction cocktail containing c-met kinase and various concentrations of measured compound or 0.1% DMSO (negative control) was incubated at 37 °C for five minutes. Then the mixture of ATP and substrate peptide was added and incubated for another 30 min. Afer that, the reaction was terminated and transferred into a pre-coated 96-well plate, and incubated for another 1 h at 37 °C. Phosphate-buffered saline (PBS) containing 0.1% Tween 20 (T-PBS) was applied to wash the plate three times. anti-phosphotyrosine (PY99) antibody was then added. Horseradish peroxidase-conjugated goat anti-mouse IgG was added after 30 min. Finally, the plate was analyzed with multi-well spectrophotometer at 450 nM.
7844	1	In Vitro Cyclooxygenase (COX) Inhibition Assay	The ability of the tested compounds to inhibit both isozymes, COX-1 and COX-2 was measured using colorimetric COX (ovine) Inhibitor Screening Assay Kit (Kit catalog number 760111, Cayman Chemical, Ann Arbor, MI, USA) following the manufacturer&#39;s instructions and as reported before. Different concentrations of either celecoxib or tested compounds were incubated with the enzymes for a period of 5 min at 25 °C. After the incubation period the colorimetric substrate and arachidonic acid were added after that the absorbance was measured at 590 nm using plate reader.
7845	1	&#946;-Glucuronidase Inhibition Assay	&#946;-Glucuronidase inhibitory activity was measured by quantifying the absorbance of para-nitrophenol which was formed from the substrate by the spectrophotometricmethod at 405 nm. Total volume of reaction was 250 &#956;L. DMSO (100%) was used to solublized the compound (5 &#956;L) which become 2% in the final assay (250 &#956;L)and the same conditions were used for standard (D-saccharic acid 1,4-lactone). Reaction mixture comprised of 0.1 M acetate buffer (185 &#956;L), test compound solution in DMSO (5 &#956;L), enzyme solution (10 &#956;L), was incubated for 30 min at 37 °C. Than 0.4 mM pnitrophenyl-&#946;-D-glucuronide (50 &#956;L) was added and plate wasread on a multiplate reader (SpectraMax plus 384, USA) at 405 nm. All assays were run in triplicate.
7846	1	&#945;-Chymotrypsin Inhibition Assay	The &#945;-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. &#945;-Chymotrypsin (bovine pancreas) at the final concentration of 12 units/mL (prepared in buffer mentioned above) with the various concentrations of test compounds, prepared in DMSO, was incubated at 30 °C for25 min. The reaction was started by the addition of the substrate, N-succinyl-L-phenylalanine-p-nitroanilide (SPpNA; 0.4 mM final concentration prepared in the buffer as above). The change in absorbance by released p-nitroaniline was continuously monitored at 410 nm [Cloudhary et al., Phytochem. Lett., 4:404-406]. All the experiments were performed in triplicate in a final volume of 200 &#956;L using a micro-plate reader (SpectraMax M2, Molecular Devices, CA, USA).
7846	2	&#945;-Chymotrypsin Inhibition Kinetic Assay	The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA) concentrations between 0.4 mM and 3.2 mM. Reciprocal of the rate of the reactions against the reciprocal of the substrate concentration as Lineweaver-Burk plot (and its secondary plot; slope versus compound concentration); the Dixon plot (and its secondary plot; slope versus reciprocal of compound concentration) and then Hanes-Woolf plot were plotted.
7847	1	AChE/BChE Inhibition Assay	Galantamine was used as reference drugs. The synthesized quinazolines were dissolved in 0.1 M phosphate buffer of pH 8.0. (KH2PO4/K2HPO4. The reaction mixture consisted of appropriate amount of, DTNB (Ellman&#39;s reagent), test compounds, of 0.03 U/mL of enzymes (AChE and BChE). The mixture was pre-incubatedat 30 °C for 10 min and followed by adding 1 mM ATCI or BTCI and incubated again for 15 min. The enzymatic hydrolysis was monitored at 412 nm using &#956;Quant microplate spectrophotometer (MQX200, BioTek USA). All reactions were carried out in triplicate.
7848	1	In Vitro PTP1B Inhibition Assay	PTP1B tyrosine phosphatise drug discovery kit (BML-AK 822, Enzo life sciences, USA) was utilized for in vitro testing of synthesized compounds against PTP1B. 10 mM stock solution (in assay buffer containing 1% DMSO) of the test compounds were prepared. Taking suitable aliquots from this stock solution, five different concentrations were made by dilutions. The test compounds along with suramin(standard inhibitor) were incubated with human recombinant PTP1B enzyme and then free phosphate was measured using biomol red as phosphate detection reagent. A 96 well microtiter plate was used for carrying out the assay using 10 mM DMSO as control. The reaction was carried out in 96 well, flatbottomed microtiter plates at 10 mM concentration using DMSO as control.
7849	1	RT Assay	To a lysis buffer (20 &mu;l), 4-6 ng recombinant HIV-1-RT was added in separate reaction tubes. Lysis buffer without HIV-1-RT was used as a negative control. Standards and test compound RT inhibitor (10 &mu;g) were diluted with lysis buffer. This mixture was incubated for 1 h at 37 &deg;C. For the number of micro plate modules to be used, enough foil bags were opened and micro plate modules were put into the frame in the correct orientation. The above samples were transferred to wells of microplate module. After addition it was covered with cover foil and incubated at 37 &deg;C for 1 h. Solution was removed and rinsed five times with 250 &mu;l of washing buffer per well for 30 s to each well. Then washing buffer was removed carefully. 200 &mu;l of anti-DIG-POD working dilution was added to individual well and covered with cover foil and incubated at 37 &deg;C for 1 h. Anti-DIG-POD working dilution solution was completely removed. Microplate module were washed five times for 30 s with washing buffer 250 &mu;l and removed. 200 &mu;l of ABTS substrate solution was added to individual well and incubated between 15 &deg;C and 25 &deg;C till (15&minus;30 min) green color was obtained. Using ELISA reader absorbance of samples was measured at 405 nm (reference wavelength 490 nm).
7850	1	Alkaline Phosphatase Inhibition Assay	Alkaline phosphatase (b-TNAP, c-IAP purchased from Calzyme Laboratories, Inc. USA) inhibition assay of different cyclic sulfonamides was performed using a chemiluminescent substrate i.e. CDP-Star&reg; (disodium 2-chloro-5-(4-methoxyspiro[1,2-dioxetane-3,2'-(5-chlorotricyclo[3.3.1.13.7]decan])-4-yl]-1-phenyl phosphate). With a slight modification in reported spectrophotometric procedure, an optimized conditions of the bioassay were developed [Hessle et al., Proc. Natl. Acad. Sci., 99:9445-9449]. Buffer solution for this bioassay was composed of 8 M DEA (pH 9.8) that contain 2.5 mM MgCl2 and 0.05 mM ZnCl2. First of all, the compounds were tested at the final concentration of 200 &#956;M(with final DMSO 1% (v/v)). In bioassay procedure, the total volume (50 &#956;L solution) contained 10 &#956;L of tested compound, followed by the addition of 20 &#956;L of TNAP (1:800 times diluted (0.8 unit/mL) enzyme in assay buffer) or 20 &#956;L of IAP (1:800 times diluted (1 unit/mL) enzyme in assay buffer). The mixture was allowed to incubate for 3-5 min at 37 &deg;C and luminescence was measured using microplate reader (BioTek FLx800, Instruments,Inc. USA). The reaction was initiated by the addition of 20 &#956;L of CDP-star&reg; (final concentration of 110 &#956;M) and the assay mixture was incubated again at 37 &deg;C. The change in the luminescence was measured after for 15 min of incubation. The activity of each compound was compared with total activity control (without any inhibitor). Levamisole (2 mM per well) and L-phenylalanine (4 mM per well) were used as a standard inhibitors for tissuenonspecific alkaline phosphatase (TNAP) and calf intestinal alkaline phosphatase (IAP), respectively.
7851	1	&#946;-Glucuronidase Assay	&#946;-glucuronidase activity was determined by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#956;L was the volume of total reaction. Reaction mixture containing 5 &#956;L of test compound solution, 185 &#956;L of 0.1 M acetate buffer and 10 &#956;L of enzyme solution were incubated for 30 min at 37 °C. At 405 nm the plates were recorded on multiplate reader (SpectaMax plus 384) after the addition of 50 &#956;L of 0.4 mM p-nitrophenyl-&#946;-D-Glucuronide. Experiments were performed for triplicate [Khan et al., Bioorg. Med. Chem., 22:3449; Khan et al., J. Comput. Aided Mol. Des., 28:577-585]. To avoid precipitation compound concentration were decreased and the volume of reaction was high (200 &#956;L). Precipitation probability was less thus addition of detergents was not needed.
7853	1	HDAC2 Enzyme Assay	The HDAC enzymatic assay was performed using a Fluorogenic HDAC Assay Kit (BPS Bioscience) according to the manufacturer&#39;s instructions. Briefly, HDAC2 enzymes were incubated with vehicle or various concentrations of the assayed samples or SAHA for 30 min at 37 °C in the presence of an HDAC fluorimetric substrate. The HDAC assay developer (which produces a fluorophore in reaction mixture) was added, and the fluorescence was measured using VICTOR3 (PerkinElmer, Waltham, MA, USA)with excitation at 360 nm and emission at 460 nm.
7854	1	DPP-4 Activity Assay	The synthetic title compounds 7 (a-j) and 8 (a-j) were screened for in vitro DPP-4 inhibition using DPP-4 activity assay kit (Krishgen BioSystems). DPP-4 activity was determined by measuring the rate of hydrolysis of a surrogate substrate, H-Gly-Pro-7-amino-4-methylcoumarin (H-Gly-Pro-AMC) taking Litagliptin as standard. Screening of the compounds was done at 10 mM and 100 nM concentrations in triplicate. The compounds which showed good inhibition activity at 100 nM were further selected for IC50 values [Lai et al., J. Med. Chem., 45:560].
7855	1	Ecto-5'-Nucleotidase Inhibition Assay	The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The compounds were analyzed at final concentration of 0.1 mM prepared in assay buffer ((2 mM MgCl2, 10 mM Tris HCl and 1 mM CaCl2, pH 7.4). (2 mM MgCl2, 10 mM Tris HCl and 1 mM CaCl2, pH 7.4). The total 100 &#956;L containing 10 &#956;L of sample, 10 &#956;L of h-e5'NT (6.94 &#956;g/mL) protein extract or r-e5'NT (7.17 &#956;g/mL) and 70 &#956;L of assay buffer. Then the reaction mixture was allowed to incubate for 10 min at 37 &deg;C. After incubation, 10 &#956;L of substrate AMP (adenosine monophosphate) with final concentration 500 &#956;M was added to start the enzymatic reaction. The mixture was again allowed to incubate for 30 min at 37 &deg;C. Then the mixture was placed in water bath at 99 &deg;C for 20 min to stop the enzymatic reaction by thermal denaturation of protein. The aliquots of 50 &#956;L of this reaction mixture were transferred into CE mini vials and injected hydrodynamically into the capillary under pressure of 0.5 psi for 5 s, followed by the application of 15 kV voltage for separation of substrate and product peaks.
7855	2	Alkaline Phosphatase Assay	Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat. Protoc., 5:1431-1439]. All compounds were analyzed at a final concentration of 200 &#956;M (1% DMSO) by using assay buffer with composition of 8 M diethanolamine (DEA) (pH 9.8), 0.05 mM ZnCl2 and 2.5 mM MgCl2. The total reaction volume was kept 50 &#956;L containing 10 &#956;L of tested compound, 20 &#956;L of b-TNAP (1:800 (0.8 units/mL) diluted enzyme in assay buffer) or c-IAP (1:800 (1 units/mL) diluted enzyme in assay buffer). After incubation for 3-5 min at 37 &deg;C., the luminescence was measured as a pre-read using microplate reader (BioTek FLx800, Instruments, Inc. USA). Then, 20 &#956;L of substrate (CDPstar&reg;) (final concentration of 110 &#956;M) was added to the reaction mixture to initiate the enzymatic reaction. The change in the luminescence was recorded after 15 min. at 37 &deg;C. The activity of each compound was measured in comparison with control (without any inhibitor). Levamisole (2 mM per well) and L-phenylalanine (4 mM per well) were used as standards (positive control) against b-TNAP) and c-IAP), respectively.
7856	1	In Vitro Soybean Lipoxygenase (SLO) Inhibition Assay	SLO inhibition was studied by spectrophotometric assay by measuring the change in the absorbance at 234 nm due to formation of hydroperoxylinoleic acid from linoleic acid [Brathe et al., Bioorg. Med. Chem., 10(5):1581-1586]. Following are the compositions of the blank, control and sample. Blank: 700 &#956;l sodium borate buffer (0.2 M, pH 8.0) was added to a solution of 50 &#956;l of dimethyl sulfoxide (DMSO) and 250 &#956;l of linoleic acid (250 &#956;M solution in borate buffer) to make the reaction volume 1.0 ml. Control: Sodium borate buffer (200 &#956;l, 0.2 M) was added to a solution of DMSO (50 &#956;l), enzyme (500 &#956;l, 400 units/ml in borate buffer) and linoleic acid (250 &#956;l, 250 &#956;M) to make the reaction volume 1.0 ml. Sample: Sodium borate buffer (200 &#956;l, pH 8.0) was added to 50 &#956;l of different concentrations of furan derivatives 3a-j (3.9-125 &#956;g/ml in DMSO), enzyme (500 &#956;l, 400 units/ml in borate buffer) and linoleic acid (250 &#956;l) to make the reaction volume 1.0 ml. NDGA was used as a standard SLO inhibitor [Malterud et al., J. Agric. Food Chem., 48(11):5576-5580].
7856	2	Molecular Docking	The crystal structure of soybean lipoxygenase-1 (PDB code: 3PZW), was used in our docking experiments. The 3D structure of 3PZW was reported by Chruszcz et al. [Chruszcz et al., Biophys. J., 95(1):1-9] using X-ray diffraction technique with a resolution of 1.45 . The docking of ligands to the catalytic site of soybean lipoxygenase was performed using AutoDock 4.0 software (http://autodock.scripps.edu/).
7857	1	&alpha;-Glucosidase Inhibition Assay	The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of 100 mL enzyme assay volume contained 70 mL of 50 mM phosphate buffer pH 6.8, 10 mL of 0.5 mM test compound and 10 mL (0.0234 units, Cat. No. G5003, Sigma) of yeast &alpha;-glucosidase Type-I enzyme (E.C. 3.2.1.20). After 10 min pre-incubation at 37 &deg;C, the absorbance was measured at 400 nm followed by the addition of 10 mL of 0.5 m p-nitrophenyl-&alpha;-d-glucopyranoside (Cat. No. N1377, Sigma). Incubation was continued for further 30 min at given temperature. The absorbance was measured using Synergy-HT, BioTek, USA, 96- well plate reader. All experiments were performed in triplicates.
7858	1	In Vitro COX Inhibition Assay	Inhibitory activity of the synthesized compounds on COX-1 and COX-2 enzymes were evaluated at 40 &#956;m using the COX Inhibitor Screening Assay Kit (Cayman No: 560101) according to the protocol recommended by the supplier. The test compounds were dissolved in dimethyl sulphoxide. Celecoxib and indomethacin were used as reference drugs. COX catalyzes the first step in the biosynthesis of AA to PGH2. The PGF2a produced from PGH2 by reduction with stannous chloride produced in the COX reaction. The prostanoid product is quantified by EIA using a broadly specific antiserum that binds to all the major PG compounds. The product of the enzymatic reaction has a distinct yellow color and absorbs strongly at 412 nm.
7859	1	Cholinesterase Inhibition Assay	The IC50 values were determined using the spectrophotometric Ellman&#39;s method. All of the tested compounds were dissolved in 0.01 M DMSO and then diluted in demineralised water to 0.001 M and 0.0001 M. Acetylcholinesterase was obtained from electric eel (Electrophorus electricus L.) and butyrylcholinesterase was fromequine serum. Rivastigmine and galantamine were involved as reference drugs.
7860	1	AChE/BuChE Inhibition Assay	For AChE or BuChE inhibition assays, a reaction mixture (100 mL) containing acetylthiocholine iodide (1 mmol/L, 30 mL) or butyrylthiocholine iodide (1 mmol/L, 30 mL), phosphate-buffered solution (0.1 mmol/L, pH = 8.0, 40 mL), 0.5 U/mL EeAChE or 25% serum (10 mL) and different concentrations of test compounds (20 mL) was incubated at 37 °C for 15 min. Then 5,5&#39;-dithiobis-2-nitrobenzoic acid (DTNB, 0.2%, 30 mL) was added to produce the yellow anion of 5-thio-2-nitro-benzoic acid. Changes in absorbance were detected at 412 nm for EeAChE and 405 nm for ratBuChE in a Varioskan Flash Multimode Reader (Thermo Scientific).
7860	2	MAO-A/MAO-B Inhibition Assay	Recombinant human MAO-A and MAO-B (5 mg/mL) were purchased from Sigma-Aldrich, pre-aliquoted and stored at -80 &deg;C. Solutions of test compounds were prepared in DMSO in 2.5 mM for storage and diluted with potassium phosphate buffer (100 mM, pH 7.40, containing KCl 20.2 mM) before use. All the enzymatic reactions were conducted in potassium phosphate buffer (100 mM, pH 7.40, containing KCl 20.2 mM) to a final volume of 500 &#956;L containing kynuramine (45 &#956;M for MAO-A and 30 &#956;M for MAO-B) and various concentrations of test compounds (0-100 &#956;M) with the concentration of DMSO lower than 4%. The reactions were initiated by the addition of MAO-A or MAO-B (7.5 &#956;g/mL) and the solutions were incubated at 37 &deg;C for 30 min. The enzymatic reactions were terminated by the addition of 400 &#956;L NaOH (2 N) and then 1000 &#956;L water, centrifuged for 10 min at 16,000 g. The concentrations of the MAO generated 4-hydroxyquinoline in the reactions were determined by measuring the fluorescence of the supernatant on a Varioskan Flash Multimode Reader (Thermo Scientific) with excitation and emission wavelengths at 310 nm and 400 nm, respectively. A linear calibration curve was constructed by preparing samples containing 4-hydroxyquinoline (0.047-1.56 &#956;M) dissolved in 500 &#956;L potassium phosphate buffer. To each calibration standard, 400 &#956;L NaOH (2 N) and 1000 &#956;L water were added. The appropriate control samples were included to confirm that the test compounds do not fluoresce or quench the fluorescence of 4-hydroxyquinoline under the assay conditions.
7861	1	Optical Titration Assay	Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV&#8722;visible spectrophotometer (Varian, UK) according to a previously described procedure [McLean et al., J. Inorg. Biochem., 91:527-541]. Ligands were prepared as stock solutions typically 0.1&#8722;100 mM) in DMSO and added as 0.2 &#956;L aliquots to cuvettes containing either a solution of CYP144A1 (&#8764;4-8 &#956;M) in 100 mM KPi (pH 7.0), containing 10 mM KCl, or to buffer alone. DMSO concentrations did not exceed 1% v/v of the final titration volume (1 mL), and the absorbance spectrum of CYP144A1 was not affected within this range. Spectra were recorded continuously between 800 and 250 nm at 25 °C.
7861	2	Isothermal Titration Calorimetry (ITC)	ITC binding isotherms were recorded on a MicroCal ITC200 instrument (MalvernInstruments). Titrations were conducted at 25 °C by injecting aliquots (2.0 &#956;L) of ligand solutions (1 mM) into protein samples (60.9 &#956;M), both of which had been diluted in 50 mM Tris-HCl buffer (pH 7.5), containing 100 mM KCl, and adjusted to give a final concentration of 10% v/v DMSO-d6. Titrations were typically 20 injections at 90 s intervals. Small background heats from dilution of the ligand were subtracted after performing a second control titration of ligand samples into buffer without protein. Binding isotherms were integrated to give the enthalpy change of each injection and plotted against the molar ratio of ligand added to the sample cell.
7862	1	Fluorescence Polarization Assay	Polarized fluorescence intensities were measured using an EnVision Multilabel plate reader (PerkinElmer) with excitation and emission wavelengths of 485 and 530 nm, respectively [Khanna et al., ACS Chem. Biol., 6:1232-1243]. A Thermo Scientific Nunc 384-well black microplate was used to prepare samples with a final volume of 50 &#956;L in duplicate. First, the compounds were serially diluted in dimethyl sulfoxide (DMSO) and further diluted in 1× PBS buffer with 0.01% Triton X-100 to yield a final concentration from 100 to 0.046 &#956;M. Triton X-100 was added in the buffer to avoid compound aggregation; 35 &#956;L of the compound solution and 10 &#956;L of PBS containing uPAR were added to the wells, and the mixture was incubated for at least 15 min to allow the compound to bind to the protein. Finally, 5 &#956;L of fluorescent AE147-FAM peptide was added for a total volume of 50 &#956;L in each well, resulting in final uPAR and peptide concentrations of 320 and 100 nM, respectively. 
7863	1	CK2&#945; Inhibition Assay	The activity of CK2&#945; was tested using P81 filter isotopic assay, as it was described earlier [&#321;ukowska-Chojnacka et al., Bioorg. Med. Chem., 24:735-741]. IC50 values for studied compounds were determined with minimum 7 concentrations of each tested inhibitor ranging from 0.064 to 1000 mM (in the presence of 4% DMSO) and calculated by fitting the data to sigmoidal doseresponse (variable slope) Y = Bottom + (Top-Bottom)/(1 + 10^((LogIC50-X) * HillSlope) equation in GraphPad Prism. Ki values were calculated using Cheng and Prusoff [29] equation: Ki = IC50/(1 + [S]/Km), [S] = 10 mM ATP, Km = 11 mM.
7864	1	&alpha;-Glucosidase Inhibition Assay	Briefly, the sample solution (25 &mu;L, 1.0 mM solution in DMSO) was mixed with enzyme solution (25 &mu;L, 0.5 U/mL prepared in 0.1 M phosphate buffer, pH 6.8). The mixture was incubated at 37 &plusmn; 1 &deg;C for 10 min to allow inhibition of enzyme by test samples. After the incubation, the substrate p-nitrophenyl &alpha;-D-glucopyranoside (25 &mu;L, 0.5 mM, 0.1 Mphosphate buffer, pH 6.8) was added to the mixture and allowed to incubate at 37 &plusmn; 1 &deg;C for 30 min. The reaction was then terminated by the addition of aqueous solution of sodium carbonate (100 &mu;L, 0.2 M). Finally, absorbance was measured with a microplate reader at 405 nm. The uninhibited enzyme solution was taken as blank and an appropriate DMSO control was used. Acarbose was used as the positive control. The concentration of DMSO in the final solution was maintained below 5.0% so that the enzyme activity was not destroyed.
7865	1	HIV-1 RT In-Vitro Assay	The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was incubated at 37 °C for 1 h and then transferred to streptavidine-coated microtitre plate (MTP). The biotin-labeled dNTPs that were incorporated in the template due to activity of RT, bound to streptavidine. The unbound dNTPs were washed using wash buffer and anti-DIG-POD was added to the MTP. The DIG-labeled dNTPs incorporated in the template were bound to an anti-DIG-POD antibody. The unbound anti-DIG-POD was washed again with washing buffer and the peroxide substrate (ABST) was added to the MTP. A colored reaction product was produced during the cleavage of the substrate catalyzed by a peroxide enzyme. The absorbance of the sample was determined as an optical density (OD) at 405 nm using a micro titer plate ELISA reader.
7866	1	&beta;-1,4-Galactosyltransferase I Assay	&beta;4GalT activity was assayed using UDP-Gal as glycosyl donor and (6-esculetinyl) &beta;-D-glucopyranoside (esculine) as glycosyl acceptor. Assays were performed in a total volume of 200 &mu;L. The reaction mixtures contained reagents in the following final concentrations: 50 mM Hepes buffer (pH 5.4), 10 mM MnCl2, 2.0 mg/mL BSA, 200 &mu;M esculine, 40 &mu;M UDP-Gal, 10 &mu;L MeOH and potential inhibitors 1-6 at 0.8 mM concentration. The enzymatic reactions were initiated by the addition of 1 mU &beta;4GalT and incubated at 30 &deg;C for 60 min. Inactivation was quickly done by placing of the reaction solutions for 3 min in a thermo block set to 90 &deg;C. Thesolutions were diluted with water (300 &mu;L) and centrifuged for 20 min, filtered through M.E. Cellulose filter (0.2 &mu;m &times; 13 mm) and the filtrate was injected into RP-HPLC system.
7867	1	Carbonic Anhydrase II Inhibition Assay	In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring the formation of 4-nitrophenol, a yellow colored compound. The reaction was performed at 25 &deg;C inbuffer containing HEPES and Tris-HCl at a total concentration of 20 mM and pH of 7.4 for each sample. The reaction mixture contained 140 &mu;L of the HEPES-tris solution, 20 &mu;L of freshly prepared aqueous solution of purified bovine erythrocyte CA-II (0.1 mg/mL of deionized water for 96-well), 20 &mu;L of test compound in DMSO (10% final concentration), 20 &mu;L of substrate 4-NPA at a concentration of 0.7 mM diluted in ethanol. The reaction was initiated by addition of 4-NPA after 15 min incubation of test compound, and each compound was tested 3-times at different concentrations. In this assay, the reaction was performed using 96-well plates. The plate was placed in a spectrophotometer and the amount of product formed was monitored at a 1 min interval for 30 min at 400 nm [Arslan et al., Biochemistry, 66:982-983].
7867	2	Carbonic Anhydrase II Kinetic Assay	Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35, 0.70 and 1.40 mM. The enzyme 0.2 mg/mL concentration for each well was used after dissolving in de-ionized water. HEPES-tris ammonia was used as buffer at pH of 7.4. The change in absorbance was measured by keeping the 96-well flat bottom plate in ELISA reader (Spectra max 384, Molecular Devices USA) after addition of substrate for a period of 30 min at 25 °C with 1 min interval.
7868	1	In Vitro COX-1 and COX-2 Inhibitory Assay	All the newly synthesized compounds were screened for their ability to inhibit COX-1 and COX-2 enzymes. This was carried out using Cayman colorimetric COX (ovine) inhibitor screening assay kit (Catalog No. 760111) supplied by Cayman chemicals, Ann Arbor, MI, USA, according to reported method [Roschek et al., J. Med. Food, 12:615-623].
7868	2	In Vitro Lipoxygenase (LOX) Inhibitory Assay	All the newly synthesized compounds were also evaluated in vitro for their ability to inhibit lipoxygenase enzyme. This was carried out using Abnova lipoxygenase inhibitor screening assay kit (Catalog No. (KA1329). Inhibitors were dissolved in DMSO and were added to the assay in a final volume of 10 &#956;l before initiating with substrate. Three concentrations were prepared (25, 50 and 100 &#956;M) and the concentration that produced 50% enzyme inhibition was determined according to manufacturer instructions [Pla&#269;kov et al., Free Radic. Biol. Med., 97:223-235].
7869	1	In Vitro c-Met and VEGFR-2 Enzyme Assay	Briefly, 20 &#956;g/mL poly (Glu,Tyr) 4:1 (Sigma) was pre-coated in 96-well plates as a substrate. A 50 &#956;L aliquot of 10 &#956;mol/L ATP solution diluted in kinase reaction buffer (50 mmol/L HEPES [pH 7.4], 50 mmol/L MgCl2, 0.5 mmol/L MnCl2, 0.2 mmol/L Na3VO4, and 1 mmol/L DTT) was added to each well; 1 &#956;L of various concentrations of indicated compounds diluted in 1% DMSO (v/v) (Sigma) was then added to each reaction well. DMSO (1%, v/v) was used as the negative control. The kinase reaction was initiated by the addition of purified tyrosine kinase proteins diluted in 49 &#956;L of kinase reaction buffer. After incubation for 60 min at 37 &deg;C, the plate was washed three times with phosphate-buffered saline (PBS) containing 0.1% Tween 20 (T-PBS). Anti-phosphotyrosine (PY99) antibody was then added. After a 30-min incubation at 37 &deg;C, the plate was washed three times, and horseradishperoxidase-conjugated goat anti-mouse IgG was added. The plate was then incubated at 37 &deg;C for 30 min and washed 3 times. A 100 &#956;L aliquot of a solution containing 0.03% H2O2 and 2 mg/ml ophenylenediamine in 0.1 mol/L citrate buffer (pH 5.5) was added. The reaction was terminated by the addition of 50 &#956;L of 2 mol/L H2SO4 as the color changed, and the plate was analyzed using a multi-well spectrophotometer (SpectraMAX 190, Molecular Devices) at 490 nm.
7870	1	Cyclooxygenase Inhibition Assay	The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an enzyme immuno assay (EIA) kit (catalog no. 560131, Cayman Chemical, Ann Arbor, MI, USA) according to the previously reported method [Roschek et al., J. Med. Food, 12:615].
7871	1	Radiometric Filter-Binding Assay	For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 &mu;L of the compound pre-diluted with 10 &mu;L of ATP (20 M ATP with 0.1 &mu;Ci [&gamma;-33P]-ATP) with the phospho-acceptor peptide poly[Ala6Glu2LysHBr5Tyr1]=polyAEKY) in 20 mM Tris/HCl pH 7.5, 1 mM DTT, 10 mM MgCl2, 0.01 mM Na3VO4, 50 mM NaCl. 10 &mu;L of enzyme (ranging between 5 nM to 20 nM) was added to initiate the reaction. Pre-incubation of enzyme with compounds (when stated) was performed by exposing the enzyme to compounds prior to addition of the substrate mixture (ATP and/or peptide substrate). After 15 min at room temperature, the reaction was stopped by the addition of 50 &mu;L 125 mM EDTA, and the peptide-bound 33P separated on filter-plates (PVDF or MAIP; Millipore, Volketswil, Switzerland) prepared according to the manufacturer's instructions. Filter-plates were washed 3&times; with 0.5% H3PO4, followed by addition of 30 &mu;L scintillation cocktail (Microscint, Perkin Elmer) per well and then analysed in a TopCount NXT scintillation counter (Perkin Elmer).
7871	2	Caliper Assay	All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8-point serial dilutions of staurosporine as a reference compound, plus 16 high and 16 low controls. Liquid handling and incubation steps were done on a Thermo CatX workstation equipped with Innovadyne Nanodrop Express. Between pipetting steps, tips were cleaned in wash cycles using wash buffer. The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &mu;L per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 4 &mu;M ATP, 4 &mu;M peptide (FITC-Ahx-EAIYAAPFAKKK-NH2)) and 4.5 &mu;L per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 3.5 nM ABL (ABL(64-515), produced in-house from E. coli)). Kinase reactions were incubated at 30 &deg;C. for 60 minutes and subsequently terminated by addition of 16 &mu;L per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology. Briefly, samples from terminated kinase reactions were applied to the chip. Analytes are transported through the chip by constant buffer flow and the migration of the substrate peptide is monitored by the fluorescence signal of its label. Phosphorylated peptide (product) and unphosphorylated peptide (substrate) are separated in an electric field by their charge/mass ratio.
7872	1	mTOR Kinase Assay	The activity of the compound against mTOR was examined by measuring the incorporation of 33P from [&gamma;-33P]-ATP into 4EBP1. His-tagged, recombinant human 4EBP1 was expressed in E. coli, purified by nickel-nitrilotriacetic acid (Ni-NTA) resins, and stored at &minus;80 &deg;C. Phosphorylation of 4EBP1 by mTOR was assayed in the presence or absence of the compound and performed in a final volume of 25 &mu;l reaction buffer containing 300 ng 4EBP1, 50 ng recombinant mTOR (Invitrogen), 50 mM HEPES (pH 7.5), 1 mM EGTA, 0.01% Polysorbate 20, 10 mM MnCl2, 2.5 mM DTT, 10 &mu;M ATP, and 0.5 &mu;Ci [ -33P]-ATP (PerkinElmir) for 30 min at 30 &deg;C. The reactions were terminated by adding 3% phosphoric acid. The 33P labeled 4EBP1 was transferred onto UniFilter-96 GF/B plate (PerkinElmer) and quantified by Top Count Microplate Scintillation Counter (PerkinElmer). For primary screening of kinase activity inhibition, each test compound was evaluated at 10 M in duplicate.
7873	1	Activation Assay	As an expression vector, a chimera in which DNA binding domain of Gal4, which is a yeast transcription factor, and ligand binding domain of human PPAR&gamma;2 are fused, i.e., a fused product between the amino acids 1 to 147 of Gal4 transcription factor and the amino acids 182 to 505 of human PPAR&gamma;2, was used. Furthermore, as a reporter vector, a firefly luciferase containing five copies of Gal4 recognition sequence in the promoter region was used. Plasmid transfection to the cells was performed according to a method which uses jetPEI (trade name, manufactured by Funakoshi Co., Ltd., Tokyo, Japan). Furthermore, &beta;-galactosidase expression vector was employed as an internal standard. After the transfection into the cells, the medium was replaced with a DMEM medium (containing 1% serum) added with the test compound, and the cells were further cultured for 16 hours. After that, the luciferase activity and &beta;-galactosidase activity in the cell lysis solution were measured. Meanwhile, for the present test, dimethylsulfoxide (DMSO) was used for dissolution and dilution of the test compounds, and during the cell treatment, the DMSO concentration in DMEM medium (containing 1% serum) was adjusted to 0.1%. As a positive compound, rosiglitazone (trade name, manufactured by ALEXIS Corporation, Switzerland) was used.
7874	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco's Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &mu;g/ml hygromycin and 15 &mu;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland). bout 24 hrs before an experiment, 5&times;104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &mu;M Fluo-4AM in loading buffer (1&times;HBSS, 20 mM HEPES) for 1 hr at 37 &deg;C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37 &deg;C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist L-glutamate was added to the cells at a concentration corresponding to EC20 (typically around 80 &mu;M) with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of glutamate was determined immediately ahead of each experiment by recording of a full dose-response curve of glutamate. Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-glutamate), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-glutamate.
7875	1	HCMV Polymerase LANCE TR-FRET Assay	The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235 nM dATP, 350 nM dCTP, 350 nM dGTP, 235 nM dTTP, 12 nM biotin-16-dUTP, 23.5 nM Dig-primer/template, 2 nM GST-UL54. The assay volume is 10 &mu;L. Each reagent is added as follow: 4 &mu;L a+3 &mu;L b+3 &mu;L c; a: compound diluted in compound dilution buffer to obtain 12.5% DMSO; b: enzyme (GST-UL54) in 10 mM Hepes pH 7.5, 25 mM KCl, 5 mM MgCl2, 25 mM NaCl, 5% Glycerol, 0.67 mg BSA/mL, 1 mM TCEP w/o DMSO (2 nM GST-UL54 is present in the assay); c: substrate in 10 mM HEPES pH 7.5, 25 mM KCl, 5 mM MgCl2, 1 mM TCEP, 783 nM dATP, 1166 nM dCTP, 1166 nM dGTP, 783 nM dTTP, 40 nM biotin-16-dUTP, 78 nM Dig-primer (5'-/Dig/AGC TCG TTT AGT GAA CC-3')/template (5'-GAG GTC AAA ACA GCG TGG ATG GCG TCT CCA GGC GAT CTG ACG GTT CAC TAA ACG AGC T-3') w/o DMSO. The primer and template are annealed in 10 mM Tris-HCl pH 7.5, 50 mM NaCl at a respective concentration of 50 &mu;M. They are incubated at 95 &deg;C. for 5 min in a dry batch block. The block is removed from the dry bath and allowed to cool to RT. Aliquots are made and stored at &minus;20 &deg;C. To perform the assay, 3 &mu;L of the enzyme solution is added to columns 2-12 and 14-24. The enzyme is substituted by the blank solution (b solution without enzyme) for columns 1 and 13 (blanks). The plate is centrifuged at 200&times;g for 30 sec. 3 &mu;L of substrate solution is added to each well. The plate is centrifuged at 200&times;g for 30 sec. Plates are incubated at 37 &deg;C. for 30 min. 5 &mu;L of conjugate solution is added (25 mM Hepes pH 7.5, 0.1 M NaCl, 0.25% Tween-20, 1 mg/mL BSA, 12 mM EDTA, 24 nM Sreptavidin-APC, 342 ng/mL Anti-Dig-Europium). The plates are incubated at RT for at least 120 min. The signal is read on the Envision plate reader (Perkin-Elmer) or equivalent.
7875	2	HCMV Polymerase Scintillation Proximity Assay	The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 2 &mu;M dTTP, 90 nM 3H-dTTP (minor variations in concentration are possible due to specific activity of stock), 26 nM Poly(dA)/190 nM BioTEG-dT19; 5% DMSO. The assay volume is 30 &mu;L. Each reagent is added at a 3&times; conc.: 10 &mu;L a+10 &mu;L b+10 &mu;L c; a: compound diluted in 10 mM Hepes pH 7.5, 25 mM KCl, 5 mM MgCl2, 1 mM TCEP with 15% DMSO; b: enzyme (GST-UL54) in 10 mM Hepes pH 7.5, 25 mM KCl, 5 mM MgCl2, 22.5 mM NaCl, 4.5% Glycerol, 0.6 mg BSA/mL, 1 mM TCEP w/o DMSO (1 nM GST-UL54 is present in the assay); c: substrate in 10 mM Hepes pH 7.5, 25 mM KCl, 5 mM MgCl2, 1 mM TCEP, 6 &mu;M dTTP, 270 nM 3H-dTTP, 78 nM Poly(dA)/570 nM BioTEG-dT19 w/o DMSO. To perform the assay, 10 &mu;L enzyme solution is added to columns 2-12 and 14-24. The enzyme is substituted by the blank solution (b solution without enzyme) for columns 1 and 13 (blanks). The plate is centrifuged at 200&times;g for 30 sec. 10 &mu;L of substrate solution is added to each well. The plate is centrifuged at 200&times;g for 30 sec. The plates are incubated at 37 &deg;C. for 40 min. To stop the reaction, 25 &mu;L of SPA beads (5 mg/mL in 0.5 M EDTA) are added and mixed by pipetting up and down. The plates are incubated at RT for at least 15 min. 35 &mu;L of 5 M CsCl is added to the bottom of each well. TopSeal is applied to the plate and the plate is incubated at RT for at least 90 min prior to reading. The signal is read on TopCount plate reader (Perkin-Elmer) or equivalent.
7876	1	Chip Based Microfluidic Mobility Shift Assay	All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8-point serial dilutions of staurosporine as reference compound, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. Between pipetting steps, tips were cleaned in wash cycles using wash buffer. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &mu;l per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 1 mM MgCl2, 3 mM MnCl2, 4 &mu;M ATP, 4 &mu;M peptide (5-Fluo-Ahx-GAPDYENLQELNKK-Amid) and 4.5 &mu;l per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 1 mM MgCl2, 3 mM MnCl2, 4 nM SYK (SYK(2-635), produced in-house from insect cells). Kinase reactions were incubated at 30 &deg;C. for 60 minutes and subsequently terminated by addition of 16 &mu;l per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology. Briefly, samples from terminated kinase reactions were applied to the chip. Analytes are transported through the chip by constant buffer flow and the migration of the substrate peptide is monitored by the fluorescence signal of its label. Phosphorylated peptide (product) and unphosphorylated peptide (substrate) are separated in an electric field by their charge/mass ratio. Kinase activities were calculated from the amounts of formed phospho-peptide.
7877	1	Fluorometric Assay	A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. The kinetic parameters that describe this reaction are as follows: Km=50 &mu;M; kcat=75 s^&minus;1; kcat/Km=1.5&times;10^6 M^&minus;1s^&minus;1. A typical reaction contains approximately 50 &mu;M enzyme, 50 &mu;M Gly-Pro-AMC, and buffer (100 mM HEPES, pH 7.5, 0.1 mg/ml BSA) in a total reaction volume of 100 &mu;L. Liberation of AMC is monitored continuously in a 96-well plate fluorometer using an excitation wavelength of 360 nm and an emission wavelength of 460 nm. Under these conditions, approximately 0.8 &mu;M AMC is produced in 30 minutes at 25 degrees C. The enzyme used in these studies was soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system (Bac-To-Bac, Gibco BRL). The kinetic constants for hydrolysis of Gly-Pro-AMC and GLP-1 were found to be in accord with literature values for the native enzyme. To measure the dissociation constants for compounds, solutions of inhibitor in DMSO were added to reactions containing enzyme and substrate (final DMSO concentration is 1%). All experiments were conducted at room temperature using the standard reaction conditions described above.
7878	1	&mu;-Opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for &mu;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &mu;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &mu;l of ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &mu;l/well), and plates were counted using a Packard Top-Count for 1 min/well.
7878	2	&mu;-Opioid Receptor Functional Assay	[35S]GTP&gamma;S functional assays were conducted using freshly thawed &mu;-receptor membranes prepared in-house from a cell line expressing recombinant &mu; opioid receptor in a HEK293 background or purchased from a commercial source (Perkin Elmer, Shelton, Conn.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTP&gamma;S (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 &mu;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;l of 20&times; concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25 &deg;C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 200 &mu;l of ice-cold wash buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &mu;l/well) and plates were counted using a Packard Top-Count for 1 min/well.
7878	3	&kappa;-Opioid Receptor Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &mu;g membrane protein (recombinant &kappa; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &mu;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &mu;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25 &deg;C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &mu;l ice-cold binding buffer. Filter plates were subsequently dried at 50 &deg;C. for 1-2 hours. Fifty &mu;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
7878	4	&kappa;-Opioid Receptor Functional Assay	Functional [35S]GTP&gamma;S binding assays were conducted as follows. &kappa; opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 &mu;g/&mu;l &kappa; membrane protein (in-house), 10 &mu;g/mL saponin, 3 &mu;M GDP and 0.20 nM [35S]GTP&gamma;S to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190&mu;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;l of 20&times; concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25 &deg;C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 &mu;l ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50 &deg;C. for 2-3 hours. Fifty &mu;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
7879	1	Fluorescence Laser Imaging Plate Reader (FLIPR) Based Assay	The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO dhfr-cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif.) are treated with dose responses of compounds and the Ca2+ response is monitored on a FLIPR384 (Molecular Devices, Sunnydale Calif.) for agonist activity. The potentiation response is monitored after a subsequent addition of an EC20 concentration of glutamate (900 nM). 
7879	2	[35S]-GTP&#947;S Assay	The stimulation of [35S]-GTP&#947;S binding is a common functional assay to monitor G&#945;i-coupled receptor in native and recombinant receptor membrane preparation. Membrane from cells stably expressing hmGlu2 CHO-K1 (50 &#956;g) are incubated in a 96 well plate for 1 hour in the presence of GTP&#947;S35 (0.05 nM), GDP (5 &#956;M) and compounds. The reaction is stopped by rapid filtration over Unifilter GF/B plate (Packard, Bioscience, Meriden Conn.) using a 96-well cell harvester (Brandel Gaithersburg, Md.). The filter plates are counted using Topcount counter (Packard, Bioscience, Meriden Conn., USA). When compounds are evaluated as potentiators they are tested in the presence of glutamate (1 &#956;M). 
7880	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 75-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
7881	1	Enzyme Assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine (See: Sono, M., et al., 1980, J. Biol. Chem. 255, 1339-1345).
7882	1	MKNK1 Kinase Assay	For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &mu;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22 &deg;C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &mu;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &mu;M=>final conc. in the 5 &mu;L assay volume is 10 &mu;M) and substrate (0.1 &mu;M=>final conc. in the 5 &mu;L assay volume is 0.06 &mu;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22 &deg;C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &mu;g/ml. The reaction was stopped by the addition of 5 &mu;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22 &deg;C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate.
7883	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30 &mu;C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7884	1	 CETP Inhibition Assay	A recombinant human CETP protein (manufactured by Roar Biomedical Inc.; 4.5 ng), the acceptor lipoprotein described in (2) above (32.5 &mu;g) and 5,5'-dithio-bis-(2-nitrobenzoic acid) (7 mM, 15 &mu;l) were taken in a 96 well plate and the total amount of the mixture was adjusted to 48.5 &mu;l with the PBS solution. The test compound [DMSO solution (concentration: 0.15, 0.5, 1.5, 5, 15, 50, 150 and 500 &mu;M); 1.5 &mu;l] was added to each well and the mixture was incubated in a thermostatic bath at 37 &deg;C. for 60 minutes. The reconstituted HDL (50 &mu;l) described in (1) above was added to each well and the mixture was reacted in a thermostatic bath at 37 &deg;C. for 60 minutes. The 96 well plate was moved onto ice and a precipitation reagent [a mixed solution of magnesium chloride (60 mM) and 0.1% dextran sulfate[1/1(v/v)]; 15 &mu;l] was added to each well, and then the mixture was allowed to stand on ice for 15 minutes. The reaction solution (80 &mu;l) in each well was moved to a filter plate and centrifuged at 1500 rpm for 1 minute, and the filtrate which passed through the filter was designated as the HDL fraction and the radioactivity thereof was measured with a scintillation counter.
7885	1	Radioligand Binding Assay ([3H]-8-OH-DPAT)	Binding experiments were conducted in 96-well microplates in a total volume of 250 &#956;L of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA). Reaction mix included 50 &#956;L solution of test compound, 50 &#956;L of [3H]-8-OH-DPAT, and 150 &#956;L of diluted membranes or the tissue suspension. Incubation condition: 60 min at 27 °C.
7885	2	Radioligand Binding Assay ([3H]-LSD))	Binding experiments were conducted in 96-well microplates in a total volume of 250 &#956;L of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA). Reaction mix included 50 &#956;L solution of test compound, 50 &#956;L of [3H]-LSD, and 150 &#956;L of diluted membranes or the tissue suspension. Incubation condition: 60 min at 37 °C.
7885	3	Radioligand Binding Assay ([3H]-LSD))	Binding experiments were conducted in 96-well microplates in a total volume of 250 &#956;L of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 1 mM EDTA). Reaction mix included 50 &#956;L solution of test compound, 50 &#956;L of [3H]-LSD, and 150 &#956;L of diluted membranes or the tissue suspension. Incubation condition: 60 min at 30 °C.
7886	1	Dopamine D2 Receptor Activity Assay	D2 receptor/G protein &#945;16a co-transfected HEK293 cells (from the Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded in 96-wellplates and incubated overnight at 37 &deg;C. The media were then removed, and 40 &#956;L of 10 &#956;M Fluo-4/AM (a calcium fluorescent probe) (Invitrogen Corporation, Carlsbad, CA, USA) was added. The plates were then incubated for 40 min at 37 &deg;C. After the supernatant was discarded and the cells were washed with calcium buffer, 50 &#956;L of calcium buffer containing tested compounds at the dosage range from 0.01 nM to 10 &#956;M was added, and the plates were incubated for 10 min. The fluorescence values at an emission wavelength of 525 nm and an excitation wavelength of 485 nm were detected by the FlexStation II microplate reader (Molecular Devices, San Francisco, CA, USA), starting 15 s after 25 &#956;L of calcium buffer containing 50 nM dopamine (an agonist of the dopamine D2 receptor) (Sigma-Aldrich, Saint Louis, MO,USA) was automatically added by the instrument.
7887	1	Ecto-5'-Nucleotidase Inhibition Assay	The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock solution of compounds were prepared with concentration of 10mM in 10% DMSO and their activity were determined by diluting them further in assay buffer (1 mM CaCl2, 2 mM MgCl2 and 10 mM Tris HCl (pH 7.4) to 1mM concentration. The final assay volume 100 &#956;L contained 70 &#956;L of assay buffer (2 mM MgCl2, 1 mM CaCl2 and 10 mM Tris HCl, pH 7.4), 10 &#956;L of compound and 10 &#956;L of human e5'NT (6.94 &#956;g/mL) protein extract or rat e5'NT (7.17 &#956;g/mL). Then the reaction mixture was incubated for 10 min at 37 &deg;C. Afterwards, 10 &#956;L of AMP substrate was added to initiate the reaction. The reaction was stopped by providing temperature of 99 &deg;C for 20 min. Aliquots of 50 &#956;L of each reaction mixture was transferred into CE mini vial and hydrodynamically injected into the capillary by using pressure of 0.5 psi for 5s. The electrosmatic separation of substrate and product peaks occurred by applying voltage of 15 kV. The concentration of product i.e. adenosine was estimated by calculating the area under its absorbance peak at 260 nm.
7887	2	Alkaline Phosphatase Inhibition Assay	The assay conditions were optimized with some changes in formerly reported spectrophotometric method. The composition of assay buffer of pH 9.8 was as: 8 M diethanolamine (DEA), 0.05 mM ZnCl2 and 2.5 mM MgCl2. All compounds were tested at the initial concentration of 0.2 mM. A total assay volume of 50 &#956;L contained 10 &#956;L of tested compound, followed by the addition of 20 &#956;L of either b-TNAP (1:800 times diluted enzyme in assay buffer) or 20 &#956;L of c-IAP (1:800 times diluted enzyme in same assay buffer). After incubating the reaction mixture for 3-5 minutes at 37 &deg;C, pre-read was taken by measuring luminescence with the help of microplate reader (BioTek FLx800, Instruments, Inc. USA). After that, 20 &#956;L of substrate (CDP-Star) at the concentration of (110 &#956;M) was added to the reaction mixture. Then the reaction mixture was again incubated for 15-20 min at 37 &deg;C and after read was taken to measure the change in the luminescence. Total activity control (without inhibitor or negative control) was used for comparison of the activity of each test compound. L-phenylalanine (at concentration of 4 mM per well) and Levamisole (at concentration of 2 mM per well) were used as reference standards against calf intestinal alkaline phosphatase (c-IAP) and bovine tissue-nonspecific alkaline phosphatase (b-TNAP) respectively.
7888	1	LanthaScreen Eu Kinase Activity Assay	The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad, CA, USA). Kinase reactions were performed in a 10 &#956;L volume in low-volume 384-wellplate. Reaction buffer for the kinase reaction consists of 50 mm HEPES pH 7.5, 0.01% BRIJ-35, 10 mm MgCl2, and 1 mm EGTA. The concentration of fluorescein-polyGAT substrate (Invitrogen) in the assay was 100 mm. Kinase reactions were initiated with the addition of 100 mm ATP in the presence of serial dilutions of compounds. The reactions were allowed to proceed for 1 hour at room temperature before a 10 &#956;L preparation of EDTA (20 mm) and Eu-labeled antibody (4 nm) in TR-FRET dilution buffer was added. The final concentration of antibody in the assay well was 2 nm, and the final concentration of EDTA was 10 mm. The plate was allowed to incubate at room temperature for one more hour before the TR-FRETemission ratios of 665 nm/340 nm were acquired on a PerkinElmer EnVision multilabel reader (Perkin Elmer, Inc., Waltham, MA, USA).
7888	2	FRET-Based Z&#39;-Lyte Assay	ABL activity assays were performed in 384-well plate using the FRET-based Z&#39;-Lyteassay system and Tyr-2 peptide substrate according to the manufacturer&#39;s instructions (Invitrogen). Briefly, 10 &#956;L reaction mixtures per well contain 12 &#956;M ATP, 2 &#956;M Tyr2 peptide substrate in 50 mm HEPES pH 7.5, 0.01% BRIJ-35, 10 mm MgCl2, 1 mm EGTA, 0.0247 &#956;g/mL ABL1 and inhibitors as appropriate. The reaction was performed at room temperature for 2 hours, and 5 &#956;L development reagent was then added for further 2-hour room temperature incubation followed by the addition of 5 &#956;L of stop solution. Fluorescence signal ratio of 445 nm (coumarin) to 520 nm (fluorescin) was examined on EnVision Multilabel Reader (Perkin Elmer, Inc.).
7889	1	In Vitro &#945;-Glucosidase Inhibitory Assay	The test compounds were dissolved in DMSO to prepare the required distributing concentration. &#945;-Glucosidase inhibitory activity was assayed using 0.1 m phosphate buffer (pH 6.8) at 37°C. The enzyme (0.1 U/ml) in phosphate-buffered saline was incubated with various concentrations of test compounds at 37°C for 15 min. Then, 1.25 mm p-nitrophenyl &#945;-D-glucopyranoside was added to the mixture as a substrate.After further incubation at 37°C for 30 min, the absorbance was measured spectrophotometrically at 405 nm. The sample solution was replaced by DMSO as a control. Acarbose was used as a positive control. All experiments were carried out in triplicates.
7890	1	In Vitro Enzymatic Assay	All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the IC50 values, 10 concentrations of the target compound were tested. Compounds were prepared as10 mM stock in DMSO and diluted to final concentration in DMSO when needed. The PRMT enzymes and substrates were incubated with indicated concentrations of compounds in a 384-well plate for 60 min at room temperature. After the reaction, acceptor and donor solutions were added to label the residual substrates of PRMT enzymes. The labeling process was lasting for 60 min at room temperature, followedby the reading end-point with Enspire with alpha mode.
7891	1	DPP III Enzyme Activity Assay	The inhibitory activity of flavonoids toward human DPP III was assayed in a 50 mM Tris-HCl buffer, pH 7.4. In brief, recombinant human DPP III (0.29 nM) was preincubated with increasing concentrations of flavonoid first for 1 min at 25°C and then for 3 min at 37°C. The enzymatic reaction was started with Arg-Arg-NA (40 &#956;M) as a substrate, and after the 15 min incubation at 37°C in a water bath, the reaction was stopped and the absorbance was measured using the spectrophotometric method described above[Abrami&#263; et al., Biol. Chem. Hoppe-Seyler., 369:29]. The stock solutions of flavonoids were prepared daily in dimethyl sulfoxide (DMSO, Sigma-Aldrich).
7892	1	NanoLuc Inhibition Assay	NanoLuc enzyme was diluted to 0.4 ng/mL in CO2 independent media + 10% FBS to make the detection reagent. A 3× dilution series of each inhibitor was then made in the detection reagent. A "no inhibitor" control was also made for each sample. A total of 50 &#956;L of each inhibitor dilution was mixed with 50 &#956;L of NanoGlo buffer containing 20 &#956;M furimazine (final furimazine concentration is 10 &#956;M, which is atKM), and luminescence was measured. Each sample was normalized to the "no inhibitor" control.
7893	1	Inhibition Kinetics Assay	Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 150 mM NaCl and 1.0 mM EDTA. The reactions were initiated by the addition of enzyme (8 nM) to a mixture containing glycerol [8% (v/v)], bovine serum albumin (0.1 mg/mL),DMSO [2% (v/v)], crot-CoA (750 &#956;M), NADH (250 &#956;M), NAD+ (200 &#956;M), and inhibitor (0&#8722;8000 nM). All reactions were monitored until the steady state was reached, indicated by the linearity of the progress curve.
7894	1	PTP1B Activity Assay	Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM), p-nitrophenyl phosphate (p-NPP, 0.4 mM), DTT (5 mM), Tween 80 [0.05% (v/v)], and DMSO [2% (v/v)] at pH 7.0. The test compounds were introduced into the solutions as stock solutions dissolved in DMSO. After 20&#8722;30 s, the amount of PTP1B activity in the assays was assessed by measuring the increase in absorbance at 410 nm as a function of time resulting from the enzyme-mediated conversion of p-NPP to p-nitrophenolate.
7895	1	PEPCK Inhibition Assay	The inhibition of H477R PEPCK by &#946;-sulfopyruvate (&#946;SP), oxalate, and GMPPCP was conducted in the direction of PEP synthesis (OAA &#8594; PEP). The Michaelis constant of OAA was determined at various fixed concentrations of &#946;-SP (0&#8722;100 &#956;M) or oxalate (0&#8722;1000 &#956;M), and the Michaelis constant for GTP was determined at various fixed concentrations of GMPPCP (0-800 &#956;M).
7896	1	Molecular Docking	The docking and scoring of ligands with CAMKIV protein was accomplished using ParDOCK module of Sanjeevini drug design suite, which is based on physicochemical descriptors.[Jain et al., FEBS Lett., 579:6659] We used the atomic co-ordinates of CAMKIV modeled previously.[Hoda et al., J. Biomol. Struct. Dyn., 34:572] Ligand molecules designed by chemical modifications of pyrimidine scaffold are listed in Table S1. We used a rigid docking module computed in several computational steps including preparation of reference protein complex and ligand in a force-field compatible manner as an input file. Docking of ligand molecule at the active site cavity of CAMKIV was performed by using all-atom energy-based Monte Carlo algorithm, which minimizes and scoresthe docked complex. The docked complexes were further minimized using the parallel version of sander module of AMBER;[Pearlman et al., Comput. Phys. Commun., 91:1] predicted binding free energy of docked poses is obtained using Bappl/BapplZ scoring function.[Gupta et al., Protein PEpt. Lett., 14:632] The crystal structure of complex CAMKIV protein in complex with 4-amino(sulfamoyl-phenylamino)-triazole-carbothioic acid(2,6-difluoro-phenyl)-amide(PDB ID 2W4O) was utilized as reference.
7897	1	Cholinesterases Inhibition Assay	The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (pH 8.0) to obtain final concentrations. 20 ml of substrate (acetylthiocholine iodide 0.075 m) was added to the test solution to obtain final concentration of 466 mm. All experiments were performed based on the previously described method.[Nadri et al., Bioorg. Med. Chem., 18:6360] Spectrophotometric measurements were performed on a UV Unico double-beam spectrophotometer. The same method was also taken for BuChE inhibition assay.
7898	1	SPR Assay	Recombinant ezrin (Hypermol) was diluted to 70 mg/mL in sodium acetate buffer (pH 5.5, 10 mM) immobilized for 350 s on a CM5 Sensor Chip (Biacore) by standard amine coupling to yield around 10,000 response units. The reference flow cell was prepared exactly as the ligand flow cell, although sodium acetate buffer only (pH 5.5, 10 mM) was used instead of recombinant ezrin. Binding interactions were monitored at 25 &deg;C with a flow rate of 30 mL/min in HBSEP/1% DMSO as running buffer. Disorazole A was injected at 0, 10, 20, 40, 60, and 80 mM. Disorazole Z was injected at 0, 20, 40, 60, 80, and 100 mM. The contact time for each compound was 120 s and the dissociation time 500 s. To rule out non-specific binding, a negative control protein was immobilized on a CM5 Sensor Chip (Biacore) by standard amine coupling: BSA (Sigma) was diluted to 70 mg/mL in sodium acetate buffer (pH 4.5, 10 mM) and immobilized for 90 s to yield around 5,000 response units. The reference flow cell was prepared with sodium acetate buffer (pH 4.5).
7899	1	In Vitro hLTC4 Synthase Enzyme Assay (Test A)	In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 is converted to LTC4. Recombinant human LTC4 synthase is expressed in Piccia pastoralis and the purified enzyme is dissolved in 25 mM tris-buffer pH 7.8 supplemented with 0.1 mM glutathione (GSH) and stored at &minus;80 &deg;C. In order to obtain IC50-values for the compounds, the following procedure was used: A volume (24 &mu;L) of 0.25 g/mL LTC4 synthase in 75 mM tris (pH ~8.5), 0.5 mM MgCl2 and 3 mM GSH was preincubated for 10 min with 0.5 &mu;L of compound of interest in DMSO at ten different concentrations, typically in the range 10^&minus;9,5-10^&minus;5 M as well as with DMSO only. The buffer is used as background. Runs are performed in duplicates. The enzymatic reaction is initiated by addition of 0.5 &mu;L LTA4 in diglyme (final assay concentration 8 &mu;M). The reaction is stopped after 1 min by addition of double the reaction volume of a stop solution (MeOH:H2O:acetic acid 70:30:1).
7899	2	In Vitro hLTC4 Synthase Enzyme Assay (Test B)	In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-values for the compounds, the following procedure was used: 10 mL of 0.6 nM of human recombinant purified LTC4 synthase expressed from Pichia Pastoris in buffer 50 mM tris (pH 7.5), 0.05% BSA 0.03% DD M 100 mM NaCl was preincubated for 30 min with 10 mL of substrate mix containing 6 mM LTA4-methyl ester substrate and 1 mM glutathione in 50 mM Tris pH7.5 0.05% BSA 0.03% DDM 100 mM NaCl together with 0.1 &mu;L of compound of interest in DMSO at ten different concentrations, typically in the range 10^&minus;9,5-10^&minus;5 M as well as with DMSO only. The enzymatic reaction is initiated by addition of 10 L LTC4S enzyme solution to 10 &mu;L substrate solution to the assay plate containing 0.5 mL of compound in DMSO or 0.5 mL DMSO control. The reaction is stopped after 30 min by addition of 40 &mu;L 75% (w/v) acetonitrile in H2O.
7900	1	In Vitro ADA Activity Assay	For the ADA activity assay, a reaction comprising 50 mM potassium phosphate buffer (pH 7.2), 0.1 mM Ara-A or adenosine, and 20 mg ADA was conducted at 30 &deg;C for 30 min. Reactions were terminated by the addition of an equivalent volume of methanol, followed by centrifugation to get rid of protein. The reactions were analyzed by HPLC (Shimadzu LC-20A), equipped with a reversephase C18 column (Inertsil ODS-3, 4.63250 mm, 5 mm), at the elution gradient of 5%-20% methanol:0.15% trifluoroacetic acid (TFA; HPLC grade) for 10 min, then the ratio of 20% methanol:0.15% TFA was continued until 30 min. The elution was monitored by a DAD at 260 nm with a flow rate of 0.5 mL/min. Assays were measured at ten different concentrations of substrate (adenosine, Ara-A) ranging from 10 to 100 mM in 50 mM potassium phosphate (pH 7.2) at 30 °C, and the assays were repeated at least three times. The inhibitory activity of PTN was assayed by adding differentconcentrations (final concentrations 1, 2, and 5 nM) to the reaction mixture described above.
7901	1	Fluorescence Polarization Assay	The DNA-binding competition assay was performed in 25 &mu;L, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Ethanesulfonic Acid) (pH 7.5, with 100 mM KCl, 40 mM NaCl, 10 mM NH4OAc, 10 mM Guanidinium, 2 mM MgCl2, 0.5 mM EDTA, 0.01% NP-40) for mouse full length SOX18, or Tris-NaCl (10 mM Tris pH 8.0 and 100 mM NaCl) for SOX-HMG fragments. All experiments were performed using a 40bp double-stranded Prox1-DNA element with 5' fluorescein amidite (FAM) label (Sigma Proligo or InVitrogen). Optimum binding levels were obtained at 200 nM of mouse full length SOX18 and 60 nM of SOX-HMG fragment, in presence of 5 nM labelled DNA. Controls consisted of free labelled DNA (low FP milli-Polarization index, mP), labelled DNA in presence of protein (negative control, high mP), and labelled DNA and protein in presence of 400 time competing excess of unlabelled DNA (positive control, low mP). Depending on compound, final DMSO concentrations ranged from 2 to 3.33% v/v. After mixing protein, DNA probe and compound, plates were sealed and briskly agitated in the dark for 5 minutes at room temperature, 10 minutes at 37 &deg;C, and 30 minutes at room temperature, before reading fluorescencepolarization on a Tecan M1000Pro (&#955;exc = 485 nm, &#955;em = 525 nm). All experiments were performed intriplicates.
7902	1	Fluorescence Polarization Assay	For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7.2) in 96-well black plates at roomtemperature for 10 min, after which 1 mL of 500 mMFITC-labeled EphA4 peptide was added to produce a final volume of 100 mL. KYL and DMSO were incubated in each assay as positive and negative controls, respectively. After 30 min of incubation at room temperature, the polarization values in millipolarization units were measured at excitation/emission wavelengths of 480/535 nm with a multilabel plate reader (PerkinElmer).
7902	2	Isothermal Titration Calorimetry (ITC)	The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. Compound binding was detected at 27 °C by comparing either the 2D-[15N,1H]-HSQC or 2D-[13C,1H]-HSQC spectra of 50 mMEphA4-LBD in absence and presence of compounds at 50 mM. ITC were measured with Model ITC200 from Microcal/GE Life Sciences.
7903	1	Caspase Catalytic Activity Assay	Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrate, ECB; Caspase-3: 200 nM enzyme, 3.3 mM DEVD substrate, SCB; Caspase-4: 1 nM enzyme, 10 mM LEHD substrate, HCB; Caspase-5: 20 nM enzyme, 10 mM LEHD substrate, HCB; Caspase-9: 200 nM enzyme, 6.5 mM LEHD substrate, HCB. ECB (Enzo Caspase Buffer): 50 mM HEPES (pH 7.4), 100 mM NaCl, 0.5% Tween 20, 10 mM DTT, and 10% glycerol; SCB (Standard Caspase Buffer): 20 mM PIPES (pH 7.5), 100 mM NaCl, 1 mM EDTA, 10 mM DTT, and 10% sucrose; HCB (High-Citrate Buffer): 50 mM Tris-HCl (pH 7.5), 1 M sodium citrate, 10 mM DTT, and 10% sucrose. Activity was measured as the change in luminescent signal for at least 30 min.
7904	1	Inhibition Kinetics Assay	The release of 2-chloro-4-nitrophenol resulting from the HPA-catalyzed hydrolysis of 2-chloro-4-nitrophenyl a-maltotrioside (CNPG3) was monitored at 400 nm. Reactions were run at 30 °C in 50 mM NaPi and 100 mM NaCl (pH 7.0). Reactions were monitored over 5 min to measure the initial reaction rate.
7904	2	Inhibition Assay (piHA-Dm)	After kinetic analysis with HPA, piHA-Dm was tested as an inhibitor of ten additional enzymes. The conditions are listed as follows: Agrobacterium faecalis &#946;-glucosidase (2.5 × 10^-4 mg/mL enzyme, 50 mM sodium phosphate pH 7, 4 mM PNP &#946;-gal); Bos taurus &#946;-galactosidase (6.9 × 10^-2 mg/mL enzyme, 50 mM sodium phosphate pH 7, 1 mM PNP &#946;-gal); S. cerevisiae &#945;-glucosidase (5 × 10^-3 mg/mL enzyme, 50 mM sodium phosphate pH 7, 1 mM &#945;-glc); Human maltase-glucoamylase (8.1 × 10^-2 mg/mL enzyme, 50 mM sodium phosphate pH 7, 1 mM &#945;-glc); Mouse maltase-glucoamylase (8.1 × 10^-2 mg/mL enzyme, 50 mM sodium phosphate pH 7, 1 mM &#945;-glc); Butyrivibrio fibrisolvens &#945;-amylase (1.7 × 10^-4 mg/mL enzyme, 50 mM sodium phosphate 100 mM NaCl pH 7, 1 mM CNPG3); Aspergillus oryzae &#945;-amylase (1.9 × 10^-4 mg/mL enzyme, 50 mM sodium phosphate 100 mM NaCl pH 7, 1 mM CNPG3); Porcine pancreatic &#945;-amylase (6.7 × 10^-3 mg/mL enzyme, 50 mM sodium phosphate 100 mM N
7905	1	AlphaScreen Assay	We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds based on the 4-carboxypyridine core, a range of compounds with a 2-aminomethyl group were synthesized and tested for KDM inhibition. Aminomethylpyridines such as KDOAM-1 showed a preference for the KDM4 and KDM5 sub-families (Figure 1A), but we were unable to find analogs with a potency in cellular immunofluorescence (IF) assays of H3K36 and H3K4 demethylation. Hence, we were interested when a patent application described very similar compounds and reported potency in an almost identical cellular IF assay (Labelle et al., 2014). In our hands, two of the compounds described, named here KDOAM-20 and -21, showed low- and sub-micromolar potency, respectively, in an H3K4me3 IF assay overexpressing KDM5B, but also inhibited H3K9me3 demethylation in accordance with its in vitro KDM4 activity (Figures S1A and S1B). We considered it possible that KDOAM-21 may be acting as an ester pro-drug akin to the KDM5/6 inhibitor, GSK-J4 (Kruidenier et al., 2012). To our surprise, the ester KDOAM-21 itself showed potent inhibition of KDM5B in vitro (Figure 1A). However, KDOAM-20 was also a sub-micromolar inhibitor of KDM4C, and KDOAM-21 could potentially be hydrolyzed to KDOAM-20 in situ. Therefore, we sought to replace the ester of KDOAM-20 with a less labile group such as an amide to retain KDM5 potency and selectivity. There is some precedent for this, as compound 16 in Bavetsias et al. (2016) is a weak KDM4/5 inhibitor with some selectivity for KDM5A/B over KDM4A/B (5- to 50-fold). The amides KDOAM-25, -28, and -29 were synthesized, and KDOAM-25 was shown to be the most potent of the series with a KDM5B half maximal inhibitory concentration (IC50) of 19 nM and improved selectivity over KDM4C.
7905	2	RapidFire MS Assay	KDOAM-25 was tested against a panel of 15 2-OG oxygenases (black text) including a representative from each of the lysine demethylases sub-families.
7905	3	MALDI-TOF Assay	MALDI-TOF enzymatic assay
7907	1	BACE1 Cell-Free Assay	The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a &frac12; log dose response curve from a top concentration of 100 &mu;M with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &mu;L assay buffer [100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20]. Plates are covered and incubated for 3 hours at 37 &deg;C. The reaction is stopped with the addition of 30 &mu;L of 1.5 &mu;M Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm).
7909	1	SPR Competitive Binding Assay	SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biacore) as described in Mol Cancer Ther 7:2621 (2008). For the competitive binding assays and the Ki determination, PtdIns(3,4,5)phosphate-biotin labeled liposomes (Echelon Biosciences) and SA chips were used with increasing concentrations of the compound tested.
7909	2	Cellular Assay	Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the phosphorylation of AKT and its downstream targets was measured by Western blotting using rabbit polyclonal antibodies to phospho-Ser473-AKT, phospho-Thr308-AKT, total-AKT, phospho-Ser9-GSK3&beta;, phospho-Ser21-GSK3&beta;, phospho-Ser241-PDK1 and phospho-Thr389p70S6-kinase (New England Biolabs/Cell Signaling Technology Inc.) using &beta;-Actin as a loading control as described in Mol Cancer Ther 7:2621 (2008). Bands corresponding to phospho-Ser473-AKT and total AKT were quantified using Eagle Eye software (BioRad) and Kodak X-Omat&trade; Blue XB (NEN&trade;, Life Science Products). Cell growth inhibition was determined using a microcytotoxicity assay and apoptosis was measured as described in Mol Cancer Ther 7:2621 (2008).
7909	3	Cellular Assay	Inhibition of AKT was measured by Western blotting using specific antibodies against phospho-Ser473-AKT in MiaPaCa-2 cells.Inhibition of AKT was measured by Western blots using specific antibodies against phospho-Ser473-AKT in HT-29 lung cancer cells. Inhibition of the phosphorylation of AKT and its downstream targets was measured by Western blotting using rabbit polyclonal antibodies to phospho-Ser473-AKT, phospho-Thr308-AKT, total-AKT, phospho-Ser9-GSK3&beta;, phospho-Ser21-GSK3&beta;, phospho-Ser241-PDK1 and phospho-Thr389p70S6-kinase (New England Biolabs/Cell Signaling Technology Inc.) using &beta;-Actin as a loading control as described in Mol Cancer Ther 7:2621 (2008). Bands corresponding to phospho-Ser473-AKT and total AKT were quantified using Eagle Eye software (BioRad) and Kodak X-Omat&trade; Blue XB (NEN&trade;, Life Science Products). Cell growth inhibition was determined using a microcytotoxicity assay and apoptosis was measured as described in Mol Cancer Ther 7:2621 (2008).
7909	4	Silico Screening Assay	KT1 PH domain small molecule inhibitors were identified using the crystal structure of the AKT1 PH domain bound by PtdIns(1,3,4,5)P4 as descried in Thomas C C, Deak M, Alessi D R, van Aalten D M, High-resolution structure of the pleckstrin homology domain of protein kinase b/AKT bound to phosphatidylinositol (3,4,5)-trisphosphate, Curr Biol 12:1256 (2002), which is hereby incorporated by reference in its entirety, using a pharmacophore query search of the National Cancer Institute database. The high-resolution crystal structure of the isolated PH domain of human AKT1 in complex Ins(1,3,4,5)P4 was utilized to define a pharmacophore pocket for screening using Unity in Sybyl (version 7.2; Tripos Inc., St Louis, Mo.). The pharmacophore pocket included all the residues of the AKT1 crystal structure within 5 &#8491; of the Ins(1,3,4,5)P4 binding site, i.e., Lys14, Arg15, Gly16, Gtu17, Tyr18, Ile19, Lys20, Thr21, Arg23, Pro24, Arg25, Lys39, Pro51, Leu52, Asn53, Asn54, Phe55, Gln79, ile84, Glu85, Arg86 and Phe88, and attributes to various atoms on the ligand and/or protein binding site were assigned. The defined pharmacophore pocket was then used to search virtual chemical databases and candidate compounds were identified. Various docking orientations were analyzed on the basis of FlexX scores, G-score, and X-score.
7910	1	Alpha Assay	BRD4(1): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &mu;M and 4 &mu;l transferred to low-volume 384-well plates (ProxiPlate&trade;-384 Plus, PerkinElmer, USA), followed by 4 &mu;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were sealed and incubated at room temperature for 30 minutes, before the addition of 4 &mu;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2): H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH (SEQ ID NO: 5); peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (SEQ ID NO: 6) (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &mu;l of streptavidin-coated donor beads (25 &mu;g/ml) and 4 &mu;l nickel chelate acceptor beads (25 &mu;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERAstar FS plate reader (BMG Labtech, Germany) using an AlphaScreen 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GraphPad Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &mu;l reaction volume.
7910	2	Alpha Assay	BRD4(2): Assays were performed as described previously with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &mu;M and 4 &mu;l transferred to low-volume 384-well plates (ProxiPlate&trade;-384 Plus, PerkinElmer, USA), followed by 4 &mu;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were sealed and incubated at room temperature for 30 minutes, before the addition of 4 &mu;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2): H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH (SEQ ID NO: 5); peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (SEQ ID NO: 6) (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &mu;l of streptavidin-coated donor beads (25 &mu;g/ml) and 4 &mu;l nickel chelate acceptor beads (25 &mu;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERAstar FS plate reader (BMG Labtech, Germany) using an AlphaScreen 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GraphPad Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &mu;l reaction volume.
7911	1	Enzyme Inhibition Assay	Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 &#956;M of enzyme substrate (didecanoyl glycerol) and 7.5 &#956;M radiolabeled acyl-CoA substrate ([14C]decanoyl-CoA) was added to each well of a phospholipid FlashPlate (PerkinElmer Life Sciences). A small aliquot of lysate (5 &#956;g/well) or mouse liver microsome (0.1 mg/well) was added to start the reaction, which was allowed to proceed in a 20° C. bath for 1 hour. and maintained overnight at room temperature. Next day, measurement was performed by Wallac 1450 Microbeta Trilux Liquid Scintillation Counter and Luminometer (PerkinElmer Life Science). In the control group, 0.1% DMSO was only added, and for the background value, 0.1% DMSO was only added without the cell fragment having the over-expressed human DGAT1 (5 &#956;g/well) or the liver microsome of mice (0.1 mg/well), which was the same as the control group.
7912	1	Calcium Flux Assay Using Fluorometric Imaging Plate Reader (FLIPR) Assay	Test compounds were prepared by adding 90 &mu;L of HBSS/20 mM HEPES/0.1% BSA buffer to 2 &mu;L of serially diluted compounds. To prepare serial dilutions, 10 mM stocks of compounds were prepared in 100% DMSO. The compound dilution plate was set up as follows: well #1 received 29 &mu;L of stock compound and 31 &mu;L DMSO. Wells 2-10 received 40 &mu;L of DMSO. After mixing, 20 &mu;L of solution from well #1 was transferred into well #2, followed by 1:3 serial dilutions out 10 steps. 2 &mu;L of diluted compound was transferred into duplicate wells of 384 well "assay plate" and then 90 &mu;L of buffer was added. After incubation, both the cell and "assay" plates were brought to the FLIPR and 20 &mu;L of the diluted compounds were transferred to the cell plates by the FLIPR. Compound addition was monitored by the FLIPR to detect any agonist activity of the compounds. Plates were then incubated for 30 minutes at room temperature protected from light. After the incubation, plates were returned to the FLIPR and 20 &mu;L of 4.5&times; concentrated agonist was added to the cell plates. During the assay, fluorescence readings were taken simultaneously from all 384 wells of the cell plate every 1.5 seconds. Five readings were taken to establish a stable baseline, then 20 &mu;L of sample was rapidly (30 &mu;L/sec) and simultaneously added to each well of the cell plate. The fluorescence was continuously monitored before, during and after sample addition for a total elapsed time of 100 seconds.
7913	1	NAAA Assay	Recombinant NAAA or native rat lung NAAA was incubated at 37 &deg;C. for 30 min in 0.2 ml of sodium hydrogen phosphate buffer (50 mM, pH 5.0) containing 0.1% Triton X-100, 3 mM dithiothreitol (DTT) and 50 mM heptadecenoylethanolamide as substrate. The reaction was terminated by the addition of 0.2 ml cold methanol containing 1 mmol of heptadecanoic acid (HDA, NuChek Prep, Elysian, Minn.). Samples were analyzed by LC/MS (liquid chromatography/mass spectrometry). Heptadecanoic acid was eluted on an XDB Eclipse C18 column isocratically at 2.2 ml/min for 1 min with a solvent mixture of 95% methanol and 5% water, both containing 0.25% acetic acid and 5 mM ammonium acetate. The column temperature was 50 &deg;C. ESI was in the negative mode, capillary voltage was 4 kV, and fragmentor voltage was 100 V. N2 was used as drying gas at a flow rate of 13 liters/min and a temperature of 350 &deg;C. Nebulizer pressure was set at 60 psi.
7914	1	Kinase Activity Assay	The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 &mu;M) for 30 minutes before the kinase reaction is initiated by addition of 1.3 mM ATP and 0.4 &mu;M fluorescein-LRRKtide. The reaction mixture (20 &mu;l total volume) is incubated for 2 hours at 30 &deg;C. before the reaction is terminated by addition of 10 mM EDTA and 1 nM terbium-labelled anti-phospho-LRRKtide antibody (final volume 20 &mu;l). The mixture is further incubated for 30 minutes at RT. TR-FRET is measured by excitation of the terbium-donor with 340 nm light and subsequent (delay time 100 &mu;s) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a time window of 1000 &mu;s. The measurement is repeated 10 times for fluorescein and 10 times for terbium emission with a 2000 &mu;s time window between repeats. TR-FRET measurements are performed on a Biomek Synergy plate. The TR-FRET signal is calculated as the emission-ratio at 520 nm over 495 nm.
7915	1	Binding Assay	Compound binding to the human ROR&#947; LBD was assessed using the Human ROR&#947; Assay System (INDIGO Biosciences Inc.) as per manufacturer&#39;s instructions. Binding to the ROR&#947; LBD was assessed using gradient concentrations of the indicated compounds in a final concentration of 0.5% DMSO.
7916	1	Inhibition Assay	Recombinant three-repeat microtubule-binding domain (3R-MBD) of tau protein was expressed in E. coli and was purified and used for the experiment. The purified tau solution was diluted with a 50 mM Tris-HCl buffer (pH 7.6) to a final concentration of 10 &#956;M. The test compounds were prepared using dimethylsulfoxide (hereinafter also referred to as DMSO) at 20-fold of their final concentrations and added to the tau solution so that the DMSO concentration would be 5%. To this solution, heparin was added so that the final concentration would be 10 &#956;M and the plate was left to stand at 37° C. for 16 hours. Thioflavin T was added to the plate so that the concentration would be 10 &#956;M and the fluorescence intensity was measured with a fluorescence plate reader (PerkinElmer, Inc.)(excitation wavelength: 440 nm; fluorescence wavelength: 486 nm).
7917	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30 &deg;C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mis per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7917	2	PDGFR&beta; Kinase Assay	Biochemical PDGFR3 kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 36 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30 &deg;C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
7918	1	LANCE ULight TR-FRET Kinase Assay 	CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were diluted in 100% DMSO then diluted with 1:10 in serine/threonine kinase assay buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM Na3VO4, and 0.0075% Triton X-100. Equal volume of the compound dilutions was added to a final reaction mixture containing LANCE detection buffer (PerkinElmer CR97-100), 100 nM ULight MBP (PerkinElmer TRF0109M), 1000 &#956;M ATP, and CDK9/Cyclin T1 (Carna Biosciences 04-110). The kinase reaction was carried out for 1 hour before addition of stopping buffer to a final of 20 mM EDTA and 0.5 nM of LANCE Ultra Europium anti-phospho-MBP antibody (PerkinElmer TRF0201M) in LANCE detection buffer. The reaction was incubated for 1 hour and the signal was read in Envision in TR-FRET mode (excitation at 320 nm and emission at 615/665 nm). 
7919	1	Enzyme Activity Assay	&#945;-Amylase activity was assayed with the chromogenic substrate RBB-starch. An enzyme aliquot was incubated (20 min, 26°C) with 0.3% RBB-starch in 0.1 M Britton-Robinson buffer at the pH optimum of the enzyme (6.5 for Aca s 4 and A. siro extract, 7.0 for D. farinae extract, 6.9 for PPA) or at pH 4.5-9.0 (pH profiling). The reaction was stopped with 0.2 M NaOH, the mixture was centrifuged (10000 g, 10 min), and the absorbance at 620 nm of the supernatant was measured against a control sample (incubated in the absence of enzyme/extract).
7920	1	Sialidase Assay	Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37°C and stopped by the addition of 0.5 M Na2CO3 pH 9.0 for the colorimetric assay or 0.25 M glycine pH 10.0 for the fluorimetric assay. Released p-NP was detected spectrophometrically at 405 nm. The fluorescenceassociated with the release of 4-MU was measured at the excitation wavelength of 365 nm and an emission wavelength of 445 nm. These measurements were performed using an EnVision microplate reader (Perkin Elmer, Waltham, Mass.).
7921	1	DNA-Dependent ATPase Assay	The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [&#947;-32P] ATP. The reaction mixture of 10 &#956;l contained [&#947;-32P] ATP (specific activity 222 TBq. mmol^&#8722;1) and cold ATP (1 mM), ATPase buffer (20 mM Tris-HCl, pH 8.0, 8 mM DTT, 1.0 mM MgCl2, 20 mM KCl and 16 &#956;g/ml BSA), purified PfUDN and 50 ng or 100 ng of M13 mp19 ssDNA. The reaction mixtures were incubated at 37°C for 60 min.
7921	2	DNA Helicase Assay	Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-mer DNA oligodeoxynucleotide annealed to M13mp19 phage ssDNA. This oligodeoxynucleotide of the nucleotide sequence 5'-(T)15GTTTTCCCAGTCACGAC(T)15-3' contains 15 base-pairs of non-complementary region (T)15 at both the 5' and 3' ends. Oligodeoxynucleotide was labeled at 5'-end with T4 polynucleotide kinase (PNK) (5U) (New England Biolabs) and 1.85 MBq of [&#947;-32P] ATP (specific activity 222 TBq/mmol) at 37&deg;C for one hour and then annealed using standard annealing buffer (20 mM Tris-HCl, pH 7.5, 10 mM MgCl2, 100 mM NaCl, 1 mM DTT) with 0.5 &#956;g of single-stranded circular M13mp19 (+)phage DNA by heating at 95&deg;C for 1 min and then transferring immediately to 65&deg;C for 2 min and then slow cooling to room temperature. Using gel filtration through a Sepharose 4B column (Pharmacia, Sweden) the nonhybridized oligodeoxynucleotide was removed [Ahmad et al., PLoS One, 7(11):e49385]. The reaction volume of 10 &#956;l containing the 32P-labeled helicase substrate (1000 cpm/10 &#956;l) in appropriate buffer (20 mM Tris-HCl, pH 8.0, 8 mM DTT, 1.0 mM MgCl2, 20 mMKCl and 16 &#956;g/ml BSA) and PfUDN was incubated at 37&deg;C for 60 min. The substrate and products were separated by electrophoresis on a nondenaturing 12% PAGE and the gel was exposed to hyper film for autoradiography or scanned on phosphoimager.
7922	1	Ub-AMC-Hydrolysis Assay	The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. Ub-AMC-hydrolysis assay was performed in a reaction buffer (50 mM Tris/HCl, pH=7.5, 1mM EDTA, 1mM MgCl2). USP2a (10 nM) was preincubated with an excess of tested compound for 30 minutes and fluorescence changes were recorded at excitation and emission wavelengths of 355 nm and 460 nm respectively, immediately after Ub-AMC (500 nM, Viva Biosience) addition. The excess of the wild type ubiquitin or NSC 632839 was used as the inhibition control.
7922	2	Di-UB K63-2 Hydrolysis Assay	The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. The assays were performed using Infinite 200 PRO - Tecan plate reader and 96-well, black Greiner microplates in a 100 ml reaction volume. Di-Ub K63-2 hydrolysis assay was performed in 50 mM Tris/HCl pH=7.5, 1mM DTT. USP2a (20 nM) was preincubated with an excess of tested compound for 30 min. Fluorescence changes were recorded at excitation and emission wavelengths of 540 nm and 580 nm respectively, immediately after Di-Ub (200 nM, LifeSensors) addition. The excess of the wild type ubiquitin or NSC 632839 was used as the inhibition control.
7923	1	Scintillation Proximity Assay (SPA)	Experiments were performed in triplicate at room temperature with 1 h incubation of 10 &#956;l reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, 5 mM DTT, and 0.01%Triton X-100 containing 30 nM of SUV420H1 or 250 nM of SUV420H2, 2 &#956;M of [3H]SAM (Cat. # NET155V250UC; PerkinElmer; http://www.perkinelmer.com) and 8 &#956;M of cold SAM and 3 &#956;M of peptide H4K20Me1. To stop the enzymatic reactions, 10 &#956;l of 7.5 M guanidine hydrochloride was added, followed by 180 &#956;l of buffer (20 mM Tris, pH 8.0), mixed and then transferred to a 96-well FlashPlate (Cat. # SMP103; PerkinElmer). After mixing, the reaction mixtures in Flashplate were incubated for 2 h and the counts per minute (CPM) were measured using TopCount plate reader (PerkinElmer).
7925	3	Surface Plasmon Resonance (SPR)	SPR studies were performed using a Biacore T200 (GE Health Sciences Inc.) at 20 °C. Approximately 8,400 response units (RU) of biotinylated EED was captured onto one flow cell of a streptavidin-conjugated SA chip (according to manufacturer&#39;s protocol) while another flow cell was left empty for reference subtraction. A-395 was dissolved in 100% DMSO (50 mM Stock) and diluted to 400 nM before triplicate two-fold serial dilutions were prepared in 100% DMSO.
7925	2	Radioligand Binding Assay	IC50 values were determined for compounds A-395 and A-395N at 75 nM of EZH2 trimeric complex (EZH2-EED-SUZ12), 3 &#956;M of human nucleosome and 1 &#956;M of [3H]SAM. 30 &#956;l of reaction mixtures were incubated at 23 °C for 70 min. To stop the enzymatic reactions, 150 &#956;l of 10% trichloroacetic acetic acid (TCA) was added, mixed and transferred to filter plates (Millipore; cat. # MSFBN6B10). Plates were centrifuged at 2,000 r.p.m. (Allegra X-15R - Beckman Coulter, Inc.) for 2 min followed by two additional 10% TCA washes and one ethanol wash followed by centrifugation. Plates were dried and 30 &#956;l MicroO (MicroScint-O; Cat. # 6013611, PerkinElmer) was added to each well, and the c.p.m. were measured using Topcount plate reader (PerkinElmer).
7925	1	TR-FRET Binding Assay	For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 &#956;M to ~850 pM using an Echo 550 Acoustic Liquid Handler (Labcyte). The following buffer was used to set up the binding reactions: 20 mM Tris-HCl pH 7.5, 200 mM NaCl, 0.01% Tween-20, 10 &#956;M DTT, and 0.05% BSA, with the DTT and BSA added fresh before initiating the binding assay. The binding assay was initiated by adding a 10 &#956;l mixture of 1 nM GST-tagged EED, 400 nM OG(488) labeled probe, and 1 nM terbium-labeled antibody to the predispensed compounds. The reactions were then incubated for 1 h at 25 °C in a humidified chamber to obtain thermodynamic equilibrium before detection on the PerkinElmer Envision plate reader using a LanthaScreen TR-FRET protocol.
7925	4	EED A-395 Peptide Competition Assay	For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 &#956;M to ~850 pM using an Echo 550 Acoustic Liquid Handler (Labcyte). The following buffer was used to set up the binding reactions: 20 mM Tris-HCl pH 7.5, 200 mM NaCl, 0.01% Tween-20, 10 &#956;M DTT, and 0.05% BSA, with the DTT and BSA added fresh before initiating the binding assay. The binding assay was initiated by adding a 10 &#956;l mixture of 1 nM GST-tagged EED, 15 nM biotinylated-histone H3 peptide, and 10 &#956;g/ml each of the streptavidin donor and glutathione acceptor beads to the predispensed compounds. The reactions were then incubated for 1 h at 25 °C in a humidified chamber before detection on the PerkinElmer Envision plate reader using an AlphaLISA/Screen protocol.
7926	1	Fluorescence Polarization Assay	Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 flat bottom black plate. Fixed probe concentration (0.1 &#956;M) is added to an increasing concentration of galectin (0.001 to 200 &#956;M). Measurements were undertaken at RT or at 4 °C after 1 hour incubation at rt under 100 rpm.
7927	1	Fluorescence-Based CA II Binding Assay	The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at 1 mm in DMSO/water (1:1). CA II (1 mm) was added to the test probe (over a 0.1-100 mm concentration range) in HEPES buffer [HEPES (25 mm) with acetonitrile (10 %), pH 7.0] and mixed well. DNSA (0.1 mm) was added, and the resulting solution was incubated at RT for 10 min and then transferred into a black-wall 96-well plate (final volume 100 mL/well). The fluorescence was measured with a Spectra Max 250 plate reader (Molecular Devices, Sunnyvale, CA, USA) at an excitation of 285 nm and emission of 465 nm at 25 °C.
7928	1	Equilibrium Binding/Displacement Assay with Fluorescence Anisotropy	All measurements were performed in HEPES (50 mm, pH 7.5) containing NaCl (150 mm), Tween-20 (0.005%) and DTT (5 mm) according to a previously published protocol.[Vaasa et al., Anal. Biochem., 385:85-93] The final volume of the assay mixture was 20 mL.
7928	2	Kinetic Assay with Fluorescence Anisotropy	Association kinetics (Kon): All measurements were performed in HEPES (50 mM, pH 7.5) containing NaCl (150 mM), Tween-20 (0.005%) and DTT (5 mM) according to a previously published protocol.[Vaasa et al., Anal. Biochem., 385:85-93] The final volume of the assay mixture was 20 mL.All measurements were performed in HEPES(50 mM, pH 7.5) containing NaCl (150 mM), Tween-20 (0.005%) and DTT (5 mM). The association kinetics assay with fluorescent probes and data analysis were performed according to published protocols.[Vaasa et al., Anal. Biochem., 385:85-93] The final volume of the assay mixture was 20 mL. Dissociation kinetics (Koff): All measurements were performed in HEPES (50 mM, pH 7.5) containing NaCl (150 mM), Tween-20 0.005%) and DTT (5 mM). Data analysis was as reported previously,[Vaasa et al., Anal. Biochem., 385:85-93] by using method1 for compounds with shorter residence times, and method 2 for 1 in studies with haspin. The final volume of the assay mixture was 20 mL. Kd' is calculated as Koff/Kon.
7929	1	In Vitro Rpn11 Activity Assay	Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were performed in buffer containing 50 mM Tris-HCl pH7.5, 1 mM MgCl2, 50 &#956;M ATP, 1 mM DTT and 0.01% NP-40. The components for the assay were added in the following sequence: (1) 5 &#956;l compound (in 3% DMSO) at different concentrations, (2) 5 &#956;l of diluted human 26S proteasome (Enzo Life Sciences, NY. 26S proteasome was pre-incubated with epoxomicin at room temperature for 1 h, then diluted ten-fold in 1× Assay Buffer), and (3) 5 &#956;l of substrate (3 nM Ub4peptideOG). 100 &#956;M Zn(cyclen)2+ was present in the titration reaction for the experiments performed with Zn(cyclen)2+. Fluorescence polarization was measured at 30 °C using a PHERAstar plate reader (BMG Labtech) with excitation at 480 nm and emission at 520 nm.
7929	2	In Vitro Csn5 Activity Assay	Csn5 activity was measured using purified CSN complex and the fluorescent substrate OGNedd8&#150;SCFSkp2, in which a unique cysteine engineered into Nedd8 was labeled with Oregon Green 488, after which the product was conjugated to SCFSkp2 as previously described [Duda et al., Cell, 134:995-1006]. Csn5-dependent cleavage of OGNedd8 from SCFSkp2 resulted in a decrease of fluorescence polarization. The assay was performed in buffer containing 40 mM Tris-HCl pH 7.5, 50 mM NaCl, 1 mM DTT, 0.01% Triton X-100, 1% glycerol, 25 mM trehalose and 15 &#956;g/ml ovalbumin. Polarization data was collected with a PHERAstar plate reader using black low-volume 384-well plates.
7929	3	In Vitro AMSH Activity Assay	AMSH activity was measured using 10 nM purified AMSH (E-548B, Boston Biochem) and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluorescence intensity was monitored using a PHERAstar plate reader with excitation at 540 nm and emission at 590 nm. Reactions were performed in black low-volume 384-well plates and analyzed as described above.
7929	4	In Vitro BRCC36 Activity Assay	BRCC36 activity was measured using 1 nM purified BRISC complex and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluorescence intensity was monitored using a PHERAstar plate reader with excitation at 540 nm and emission at 590 nm. Reactions were performed in black low-volume 384-well plates and analyzed as described above.
7929	5	HDAC6 Activity Assay	The enzyme was diluted with 25 mM Tris-Cl, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/ml BSA, pH 8.0 buffer and its activity was measured by using Substrate 3 (BPS Bioscience; catalog #50037). The assays were carried out in black, low-binding NUNC 96-well plates. Each well contained a volume of 50 &#956;l including buffer, HDAC (50 ng/well), inhibitor, and substrate (20 &#956;M). Prior to adding substrate, the plate was pre-incubated for 5 min. Upon addition of substrate, the plate was incubated at 37 °C for 30 min. At this point, HDAC assay developer (50 &#956;l, BPS Bioscience; catalog #50030) was added to each well and the plate was incubated for 15 min at room temperature. The fluorescence was recorded with a BioTek FLx800 or Synergy H4 microplate reader.
7929	6	MMP Activity Assay	The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well contained a total volume of 90 &#956;l including buffer (50 mM HEPES, 10 mM CaCl2, 0.05% Brij-35, pH 7.5), human recombinant MMP (1.16 U/well for MMP2 and 0.007 U/well for MMP12), and the fragment solution. This mixture was incubated at 37 °C for 30 min. The reaction was then initiated by the addition of 10 &#956;l of the fluorogenic MMP substrate (4 &#956;M final concentration, Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2-AcOH) (Mca = (7-methoxycoumarin-4-yl) acetyl; Dpa = N-3-(2,4-dinitrophenyl)-L-a,&#946;-diaminopropionyl). Fluorescence measurements were recorded using a BioTek Synergy H4 fluorescence plate reader every minute for 20 min with excitation and emission wavelengths at 320 and 400 nm, respectively.
7929	8	hCAII Activity Assay	Assays were run in 50 mM HEPES (pH 8.0). A BioTek Synergy H4 microplate sample processor was used. The compounds were incubated with protein (final concentrations of 100 nM for hCAII) for 10 min at 25 °C. A substrate (p-nitrophenylacetate; final concentration of 500 &#956;M) was added, and hCAII-catalyzed cleavage was monitored by the increase in absorbance at 405 nm corresponding to formation of the p-nitrophenolate anion
7929	7	GLO1 Activity Assay	Assays were carried out in 100 mM sodium phosphate, pH 7.0 buffer using 96-well Clear UV Plate (Corning UV Transparent Microplates; catalog #3635). A fresh solution of glutathione (pre-substrate 1, 100 mM) as well as methylglyoxal (pre-substrate 2, 100 mM) was prepared in deionized water. The substrate was prepared by adding 14.5 ml of buffer and 0.99 ml of each pre-substrate components. The substrate mixture was vortexed vigorously for 15 s, then allowed to sit at room temperature for 20 min. Initial well volume was 50 &#956;l containing GLO1 (40 ng) and inhibitor. This protein and inhibitor mixture was incubated for 15&#150;20 min before the addition of substrate. To this was then added substrate (150 &#956;l), yielding a maximum amount of 5% DMSO per well. The enzyme activity was measured using a BioTek Synergy H4 plate reader by measuring absorbance at 240 nmevery 1 min for 8 min.
7930	1	Intracellular Calcium Mobilization Assay	MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 &#956;g/ml hygromycin B, and 15 &#956;g/ml blasticidin. For the calcium mobilization assay, cells were plated into glass bottomed, poly-L-lysine coated, black 384 well plates at a density of 20,000 cells/well in medium containing 1% dialyzed FBS, 1 &#956;g/ml tetracycline, 100 IU/ml penicillin and 100 &#956;g/ml streptomycin and incubated 24 h. Following tetracycline induction, medium was removed and cells were loaded with 20 &#956;l/well of 1&times; FLIPR Calcium dye (Molecular Devices) and 2.5 mM probenic acid, for 1 h in a humidified environment at 37 &deg;C with 5% CO2. For mast cell calcium experiments, cells were seeded at a density of 50,000 cells/well in Tyrode's buffer containing 1&times; calcium dye and incubated for 1 h before treatment and analysis. After dye loading, baseline was measured for 10 s before drug treatment, and then cells were treated with 10 &#956;l of 3&times; concentrated drug in drug buffer (1&times; HBSS with 20 mM HEPES and 2.5 mM probenic acid, pH 7.4) in 16 point concentration response curves from 100 &#956;M to 0.003 nM.
7930	2	PRESTO-Tango Assay	HTLA cells (HEK-T cells stably expressing a &#946;-arrestin2-TEV fusion protein and a tTa-dependent luciferase reporter) were maintained in DMEM (Corning) containing 10% FBS, 2 &#956;g/ml puromycin and 100 &#956;g/ml hygromycin B in a humidified atmosphere at 37 °C with 5% CO2. In brief, cells were plated to 50% confluency and transfected with a codon-optimized MRGPRX-Tango construct using the calcium phosphate method53. The next day, transfected cells were transferred to glass-bottomed, poly-L-lysine-coated white 384-well plates at a density of 20,000 cells/well. The following day, cells were treated with 10 &#956;M concentrations of small molecules (in quadruplicate) diluted in drug buffer (1× HBSS with 20 mM HEPES and 0.3% bovine serum albumin, pH 7.4) and incubated for 18-24 h. After drug incubation, medium was removed and 20 &#956;l of Bright-Glo (Promega; diluted 20-fold) was added to each well and incubated 15 min at room temperature.
12492	1	KRAS Biochemical Assay	KRAS Biochemical Assay—BODIPY-GDP Exchange TR-FRET. Biochemical compound potencies were assessed by evaluating inhibition of SOS1-mediated nucleotide exchange in KRAS G12D. The SOS1-promoted exchange of fluorescently-labeled GDP (BODIPY-GDP) was monitored by time-resolved fluorescence resonance energy transfer (TR-FRET). Compounds solubilized in DMSO were dispensed as concentration series into 384-well white assay plates. A preformed complex of biotin-tagged recombinant human KRAS (1.5 nM mutant G12D or wild type) and 0.15 nM terbium-labeled streptavidin (CisBIO) prepared in 10 μL/well assay buffer (20 mM HEPES, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 0.01% Tween-20 and 1 mM dithiothreitol) was added and allowed to incubate for 10-minutes. The reaction was initiated with the addition of 5 μL of 3 nM recombinant human SOS1 and 300 nM BODIPY-GDP in assay buffer. After a 60-minute incubation, the fluorescence was measured with excitation at 337 nm and emission at 490 and 520 nm. The TR-FRET ratio was determined as the fluorescence at 520 nm divided by the fluorescence at 490 nm multiplied by 10,000. The results were normalized to percent inhibition based on control samples: DMSO (0% inhibition) and control compound at a concentration that inhibits completely (100% inhibition). The normalized TR-FRET results were plotted against compound concentration, and the data fit to a 4-parameter Hill equation to determine the IC50 values.
12523	75	Ray2010 Assay 75	Data from pone.0009019.s006.doc, supplement tables.
12551	1	JAK Kinase Assay	Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× substrate/enzyme solution consisted of acceptor substrate (800 nM Abl peptide EAIYAAPFAKKK (SEQ ID NO:2)), JAK1, TYK2, JAK2 or JAK3 enzyme (10 nM) and DTT (2 uM). All other steps and solutions remain identical to the ROCK Kinase Assay below. Results are shown above throughout the tables. ROCK Kinase Inhibition Assay: Test compounds were then serially diluted 1:5 in DMSO for an 11-point concentration response and further diluted in the assay buffer bringing all compound concentrations to a final range of 100 μM to 10 μM in 2.5% DMSO. The assay was performed in white 96-well, flat-bottom, half-area, non-binding assay plate (Corning #3642) in assay buffer consisting of 20 mM HEPES (pH 7.5), 10 mM MgCl2*6H2O, 100 μM sodium orthovanadate, 0.05% CHAPS and 0.1% bovine serum albumin. A 10 μL aliquot of compound from each well of the intermediate dilution plate and 20 μL of a 2× substrate/enzyme solution containing acceptor substrate (800 nM RSK2 peptide KRRRLSSLRA (SEQ ID NO: 1)), ROCK2 enzyme (10 nM), or ROCK1 enzyme, and 1,4-Dithiothreitol (DTT, 2 uM) were added to all wells. The reaction was initiated by the addition of 10 μL of 4× stock solution ATP (2 μM). Reactions were thoroughly mixed manually, covered, and allowed to incubate at room temperature for 75 min. Protein kinase activity was quantitated using Promega&#39;s KINASE-GLO™ luminescent Kinase Assay Kit according to the manufacturer&#39;s directions. ATP concentrations remaining in Test wells following the termination of the enzymatic reaction were compared against control wells containing equivalent amounts of DMSO containing no inhibitor (CTRL).
12616	1	Fluorescence Intensity-Based Assay	To test the synthesized compounds for their potential to inhibit SHP2 activity, a fluorescence intensity-based assay using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) as the substrate was adapted for three recombinant SHP2 constructs: 1) the SHP2 catalytic domain (SHP2cat; residues 248-527), 2) the full-length SHP2-E76K oncogenic mutant, and 3) the full-length SHP2 wild-type (SHP2-WT). The recombinant SHP2 proteins were expressed and purified. A dually phosphorylated peptide derived from the insulin receptor substrate 1 (IRS-1) served as a surrogate binding protein and was used to activate SHP2-WT. The constitutively active E76K mutant did not require activation. Similarly, the SHP2cat construct, which lacks the SH2 domains, did not need to be activated. Michaelis-Menten experiments to determine the DiFMUP Michaelis-Menten constant (Kmn) for each SHP2 construct were performed and yielded the following values: SHP2-WT, Km=60 μM; SHP2-E76K, Km=20 μM; SHP2cat, Km=20 μM. Relative maximum rates (Vmax) of the DiFMUP reactions were as follows: SHP2-WT, Vmax=871 AFU/min; SHP2-E76K, Vmax, =2730 AFU/min; SHP2cat, Vmax=2912 AFU/min. IC50 values for each compound were determined from initial rates in 10-point dose-response assays using DiFMUP at a concentration corresponding to its Km value for the respective SHP2 construct.
12802	4	JAK2 HTRF Enzyme Activity Assay	JAK2 enzyme activity assays utilize catalytic domain (JH1, amino acids 808-1132) of human JAK2 expressed as N-terminal His-tagged protein in a baculovirus expression system (BPS Bioscience, Catalog #40450). The assays was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 (0.015 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of ATP (30 μM or 1 mM) and 500 nM Biotin-labeled EQEDEPEGDYFEWLE (SEQ ID NO.: 1) peptide (BioSource International, custom synthesis) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT) for 60 minutes at 25° C. The reactions were stopped by the addition of 10 μL of detection buffer (50 mM Tris, pH 7.8, 0.5 mg/mL BSA, 150 mM NaCl), supplemented with EDTA, LANCE Eu-W1024 anti-phosphotyrosine (PY20), (PerkinElmer, Catalog #AD0067) and Streptavidin SureLight APC (PerkinElmer Catalog #CR130-100), for a final concentration of 15 mM, 1.5 nM and 75 nM, respectively. HTRF signals were read after 30 minutes incubation at room temperature on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
12815	1	In Vitro CDK7/CyclinT1 Enzyme Activity Assay	Experimental Methods:Preparation of kinase buffer: the kinase buffer containing 50 mM HEPES, 1 mM EDTA, 10 mM MgCl2, 0.01% Brij-35, pH 7.4.2.38 g of HEPES, 58 mg of EDTA, 406 mg of MgCl2, and 20 mg of Brij-35 were added to 200 mL of buffer, and the pH was adjusted to 7.4.Preparation of Stop Solution:100 μL of 1 M EDTA stock solution was mixed with 0.625 μL of 1× detection buffer and 1725 μL of distilled water to prepare the stop solution.Enzyme, Ulight-MBP peptide, ATP, and inhibitors were diluted with the kinase buffer.The Eu-MBP antibody was diluted to a concentration of 8 nM/L using detection buffer.The compounds to be tested were 5-fold diluted with a multi-channel pipette to the 8th concentration, i.e., from 40 μM to 0.512 nM, with a final DMSO concentration of 4%. The experiment was set up in duplicate wells. 2.5 μL of each concentration gradient of the inhibitor was added to the microplate, followed by 5 μL of CDK7/CyclinH/MAT1 enzyme (5 ng), and 2.5 μL of a mixture of substrate and ATP (4 mM ATP, 50 nM Ulight-MBP peptide). At this point, the final concentration gradient of the compound was 10 μM diluted to 0.128 nM. The reaction system was reacted at 25° C. for 60 minutes. After the reaction, 5 μL of stop solution was added to each well, and the reaction was continued at 25° C. for 5 minutes. After stopping the reaction, 5 μL of Eu-MBP antibody dilution was added to each well, and the mixture was reacted at 25° C. for 60 minutes.
12815	2	In Vitro CDK2/CyclinB1 Enzyme Activity Assay	Experimental Methods:Preparation of kinase buffer: the kinase buffer containing 50 mM HEPES, 1 mM EDTA, 10 mM MgCl2, 0.01% Brij-35, pH 7.4.2.38 g of HEPES, 58 mg of EDTA, 406 mg of MgCl2, and 20 mg of Brij-35 were added to 200 mL of buffer, and the pH was adjusted to 7.4.Preparation of Stop Solution:100 μL of 1 M EDTA stock solution was mixed with 0.625 μL of 1× detection buffer and 1725 μL of distilled water to prepare the stop solution.Enzyme, Ulight-4E-BP1 peptide, ATP, and inhibitors were diluted with the kinase buffer.The Eu-anti-phospho-tyrosine antibody was diluted to a concentration of 8 nM/L using detection buffer.The compounds to be tested were 5-fold diluted with a multi-channel pipette to the 8th concentration, i.e., from 40 μM to 0.512 nM, with a final DMSO concentration of 4%. The experiment was set up in duplicate wells. 2.5 μL of each concentration gradient of the inhibitor was added to the microplate, followed by 5 μL of CDK2/CyclinE1 enzyme (10 ng), and 2.5 μL of a mixture of substrate and ATP (4 mM ATP, 100 nM Ulight-4E-BP1 peptide). At this point, the final concentration gradient of the compound was 10 μM diluted to 0.128 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 μL of stop solution was added to each well, and the reaction was continued at 25° C. for 5 minutes. After stopping the reaction, 5 μL of Eu-anti-phospho-tyrosine antibody dilution was added to each well, and the mixture was reacted at 25° C. for 60 minutes. Data were then collected using the PerkinElmer Nivo multimode microplate reader in TR-FRET mode (excitation wavelength: 320 nm, emission wavelength: 665 nm).
12815	3	In Vitro CDK9/CyclinE1 Enzyme Activity Assay	Experimental Methods:Preparation of kinase buffer: the kinase buffer containing 50 mM HEPES, 1 mM EDTA, 10 mM MgCl2, 0.01% Brij-35, pH 7.4.2.38 g of HEPES, 58 mg of EDTA, 406 mg of MgCl2, and 20 mg of Brij-35 were added to 200 mL of buffer, and the pH was adjusted to 7.4.Preparation of Stop Solution:100 μL of 1 M EDTA stock solution was mixed with 0.625 μL of 1× detection buffer and 1725 μL of distilled water to prepare the stop solution.Enzyme, Ulight-4E-BP1 peptide, ATP, and inhibitors were diluted with the kinase buffer.The Eu-anti-phospho-tyrosine antibody was diluted to a concentration of 8 nM/L using detection buffer.The compounds to be tested were 4-fold diluted with a multi-channel pipette to the 8th concentration, i.e., from 400 μM to 24.4 nM, with a final DMSO concentration of 4%. The experiment was set up in duplicate wells. 2.5 μL of each concentration gradient of the inhibitor was added to the microplate, followed by 5 μL of CDK9-CyclinT1 enzyme (2 ng), and 2.5 μL of a mixture of substrate and ATP (8 mM ATP, 50 nM Ulight-4E-BP1 peptide). At this point, the final concentration gradient of the compound was 100 μM diluted to 6.1 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 μL of stop solution was added to each well, and the reaction was continued at 25° C. for 5 minutes. After stopping the reaction, 5 μL of Eu-anti-phospho-tyrosine antibody dilution was added to each well, and the mixture was reacted at 25° C. for 60 minutes. Data were then collected using the PerkinElmer Nivo multimode microplate reader in TR-FRET mode (excitation wavelength: 320 nm, emission wavelength: 665 nm).Experimental Methods:Preparation of kinase buffer: the kinase buffer containing 50 mM HEPES, 1 mM EDTA, 10 mM MgCl2, 0.01% Brij-35, pH 7.4.2.38 g of HEPES, 58 mg of EDTA, 406 mg of MgCl2, and 20 mg of Brij-35 were added to 200 mL of buffer, and the pH was adjusted to 7.4.Preparation of Stop Solution:100 μL of 1 M EDTA stock solution was mixed with 0.625 μL of 1× detection buffer and 1725 μL of distilled water to prepare the stop solution.Enzyme, Ulight-4E-BP1 peptide, ATP, and inhibitors were diluted with the kinase buffer.The Eu-anti-phospho-tyrosine antibody was diluted to a concentration of 8 nM/L using detection buffer.The compounds to be tested were 4-fold diluted with a multi-channel pipette to the 8th concentration, i.e., from 400 μM to 24.4 nM, with a final DMSO concentration of 4%. The experiment was set up in duplicate wells. 2.5 μL of each concentration gradient of the inhibitor was added to the microplate, followed by 5 μL of CDK9-CyclinT1 enzyme (2 ng), and 2.5 μL of a mixture of substrate and ATP (8 mM ATP, 50 nM Ulight-4E-BP1 peptide). At this point, the final concentration gradient of the compound was 100 μM diluted to 6.1 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 μL of stop solution was added to each well, and the reaction was continued at 25° C. for 5 minutes. After stopping the reaction, 5 μL of Eu-anti-phospho-tyrosine antibody dilution was added to each well, and the mixture was reacted at 25° C. for 60 minutes. Data were then collected using the PerkinElmer Nivo multimode microplate reader in TR-FRET mode (excitation wavelength: 320 nm, emission wavelength: 665 nm).
13090	1	DGK ADP-Glo Kinase Assay	The DGKa and DGKz kinase assays were performed using Promega ADP-Glo kit (Promega, Cat #V9102). One microliter test compound was added to a 384-well plate. Reactions were performed in a 5 uL volume by adding 2 uL mixture of DGK enzyme and ATP in assay buffer (50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 mM CaCl2, 0.0025% BSA, and 1 mM DTT). The final concentration of DGKa, DGKz and ATP were 10 nM, 5 nM and 15 uM, respectively. The enzyme solution was incubated with test compound at 25 Figure US20250223301A1-20250710-P00003 for 20 min. For the preparation of the substrate of micelles, 1 volume of a 16.1 mM solution of 1,2-dioleoyl-sn-glycerol in chloroform was slowly evaporated using a nitrogen stream. Subsequently, 22.55 volumes of a 510 mM solution of octyl-b-D-glucopyranoside in 50 mM MOPS buffer (pH 7.5) were added, and the mixture was sonicated in an ultrasonic bath for 20s. Then 35 volumes of 50 mM MOPS buffer (pH7.5) were added to yield a solution of 0.28 mM 1,2 dioleoyl-sn-glycerol and 200 mM octyl-b-D-glucopyranoside, which was aliquoted, flash-frozen in liquid nitrogen, and stored at −80° C. until use. The reaction was initiated by the addition of 2 uL of substrate solution (7 uM 1.2-dioleoyl-sn-glycerol, 5 mM octyl-b-D-glucopyranoside) in the 5 uL assay volume. The resulting mixture was incubated at 25° C. for 40 minutes. Next, 5 uL of ADP-Glo-reagent was added to the plate and incubated for 40 minutes. Then 10 uL of kinase detection reagent was added and incubated for 30 minutes. Luminescence was recorded using an Tecan SPARK microplate reader. 1% DMSO vehicle was used as control and no enzyme well was used as blank well.
13091	1	Kat6a Activity Assay	Recombinant human His-tagged Kat6a protein (amino acids 194-810), was purified in-house from Baculovirus-infected insect cells (Sf9). Histone H4 peptide (amino acids 1-24, SGRGKGGKGLGKGGAKRHRK-VLRD-K(Btn)-amide), which was used as substrate, was synthesized by Biosyntan GmbH, Berlin, Germany. Acetyl Coenzyme A was purchased from Sigma-Aldrich (#A-2056).Kat6a was incubated for 60 mins at 22° C. in the presence of different concentrations of test substances (0 μM, and within the range 0.01-20 μM) in assay buffer [25 mM Tris/HCl pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCl, 220 nM H4 peptide and 600 nM Acetyl Coenzym A].The reaction was stopped by addition of Detection Solution (25 mM HEPES pH 7.5, 0.1% BSA, 22 nM SAXL665 (Cisbio #610SAXLE), 100 μM Anacardic Acid (Enzo #ALX-270-381), 1 nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823) and 0.5 nM Anti-Rabbit IgG Eu (Perkin Elmer #AD0083).
13091	2	Kat6b Activity Assay	Kat6b was incubated for 30 mins at 22° C. in the presence of different concentrations of test substances (0 μM, and within the range 0.01-20 μM) in assay buffer [25 mM Tris/HCl pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCl, 500 nM H4 peptide and 600 nM Acetyl Coenzym A].The reaction was stopped by addition of Detection Solution (25 mM HEPES pH 7.5, 0.1% BSA, 22 nM SAXL665 (Cisbio #610SAXLE), 100 μM Anacardic Acid (Enzo #ALX-270-381), 1 nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823), 0.5 nM Anti-Rabbit IgG Eu (Perkin Elmer #AD0083).The fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of acetylated peptide.
7932	1	Enzyme Assay	P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction.
7933	1	Inhibition Assay	PI3 kinases catalyse the phosphorylation of phosphatidylinositol 4,5-biphosphate (PIP2) to phosphatidylinositol 3,4,5-triphosphate (PIP3) in the presence of ATP and Mg2+ ions. The PIP3 product can be detected by displacement of biotin-PIP3 from energy transfer complexes consisting of europium labelled anti-GST monoclonal antibody, a GST-tagged Pleckstrin homology (PH) domain, biotinylated PIP3 and streptavidin-allophycocyanin (APC) by the time-resolved fluorescence resonance energy transfer (TR-FRET) (HTRF&reg; PI3K enzyme assay, Millipore). Excitation (330 nm) of europium in the complex results in an energy transfer to the APC and a fluorescent emission at 665 nm although europium itself emits at its characteristic 620 nm. The PIP3 product formed by PI3K activity displaces biotin-PIP3 from the complex and results in a loss of energy transfer (decreasing signal). The compound to be tested was added, at the desired final concentrations, to a mixture of PIP2 substrate and recombinant PI3 kinase &alpha;, &delta; or &gamma; enzymes (Millipore), and the mixture incubated for 2 hr at RT. Following this incubation period, ATP (20 &mu;M) was added to the enzyme/compound/PIP2 substrate mixture and the resulting mixture was incubated for 30 min at RT. A stopping solution containing biotinylated PIP3 and the detection mix containing the GST tagged GRP1 pleckstrin homology (PH) domain and fluorophores were then added and the mixture was incubated at RT for 15-18 hr, prior to detection in a fluorescence microplate reader (Varioskan&reg; Flash, ThermoFisher Scientific).
7934	1	DPP-IV Assay	50 &mu;l substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 &mu;M, were placed in black microtitre plates. 20 &mu;l of assay buffer (final concentrations 50 mM Tris HCl pH 7.8, 50 mM NaCl, 1% DMSO) was pipetted in. The reaction was started by adding 30 &mu;l of solubilised Caco-2 protein (final concentration 0.14 &mu;g of protein per well). The test substances to be investigated were typically added prediluted in 20 &mu;l, and the volume of assay buffer was then reduced accordingly. The reaction was carried out at ambient temperature, incubating for 60 minutes. Then the fluorescence was measured in a Victor 1420 Multilabel Counter, the excitation wavelength being 405 nm and the emission wavelength being 535 nm. Blank readings (corresponding to 0% activity) were obtained in mixtures without any Caco-2 protein (volume replaced by assay buffer), control values (corresponding to 100% activity) were obtained in mixtures with no substance added.
7935	1	Binding Assay	For binding to the human A1AR, [3H]R-PIA (2 nM) was incubated with membranes (40 &#956;g/tube) from CHO cells stably expressing the human A1AR at 25° C. for 60 min in 50 mM Tris.HCl buffer (pH 7.4; MgCl2, 10 mM) in a total assay volume of 200 &#956;L. Nonspecific binding was determined using 10 &#956;M of N6-cyclopentyladenosine. For human A2A AR binding, membranes (20 &#956;g/tube) from HEK-293 cells stably expressing the human A2A AR were incubated with 15 nM [3H]CGS21680 at 25° C. for 60 min in 200 &#956;L of 50 mM Tris.HCl, pH 7.4, containing 10 mM MgCl2. N-5&#8242;-ethyluronamidoadenosine (10 &#956;M) was used to define nonspecific binding. Reaction was terminated by filtration with GF/B filters.
7935	2	Binding Assay	Each tube in the competitive binding assay contained 100 &#956;l membrane suspension (20 &#956;g protein), 50 &#956;l [125I]-AB-MECA (0.5 nM), and 50 &#956;l of increasing concentrations of the test ligands in Tris.HCl buffer (50 mM, pH 8.0) containing 10 mM MgCl2, 1 mM EDTA. Nonspecific binding was determined using 10 &#956;M of 5&#8242;-N-ethylcarboxamidoadenosine in the buffer. The mixtures were incubated at 25° C. for 60 min. Binding reactions were terminated by filtration through Whatman GF/B filters under reduced pressure using a MT-24 cell harvester (Brandell, Gaithersburgh, Md., USA). Filters were washed three times with 9 mL ice-cold buffer. Radioactivity was determined in a Beckman 5500B &#947;-counter.
7936	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco's Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &mu;g/ml hygromycin and 15 &mu;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland). About 24 hrs before an experiment, 5&times;104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &mu;M Fluo-4AM in loading buffer (1&times;HBSS, 20 mM HEPES) for 1 hr at 37 &deg;C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37 &deg;C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist L-glutamate was added to the cells at a concentration corresponding to EC20 (typically around 80 &mu;M) with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of glutamate was determined immediately ahead of each experiment by recording of a full dose-response curve of glutamate.
7936	2	MPEP Binding Assay	For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and Christensen [Cytotechnology 15:1-13 (1998)]. Cell membrane homogenates were stored at &minus;80 &deg;C. until the day of assay where upon they were thawed and resuspended and polytronised in 15 mM Tris-HCl, 120 mM NaCl, 100 mM KCl, 25 mM CaCl2, 25 mM MgCl2 binding buffer at pH 7.4 to a final assay concentration of 20 &mu;g protein/well. Saturation isotherms were determined by addition of twelve [3H]MPEP concentrations (0.04-100 nM) to these membranes (in a total volume of 200 &mu;l) for 1 h at 4 &deg;C. Competition experiments were performed with a fixed concentration of [3H]MPEP (2 nM) and IC50 values of test compounds evaluated using 11 concentrations (0.3-10,000 nM). Incubations were performed for 1 h at 4 &deg;C. At the end of the incubation, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.1% PEI in wash buffer, Packard BioScience, Meriden, Conn.) with a Filtermate 96 harvester (Packard BioScience) and washed 3 times with cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 &mu;M MPEP. The radioactivity on the filter was counted (3 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 &mu;l of microscint 40 (Canberra Packard S.A., Zurich, Switzerland) and shaking for 20 min.
7937	1	HT F Homogeneous PARP Inhibition Assay	PARP1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP1 was pre-incubated with different concentrations of compounds in a buffer containing 100 mM Tris-HCl pH 8.0, 100 mM NaCl, 20 mM MgCl2, and 1% DMSO for 30 min at RT. The auto-PARsylation reaction was initiated by addition of 500 nM NAD and 20 ng/ul activated DNA (Sigma) and incubated at RT for 40 min. The remaining NAD was detected by incubation with cycling assay solution containing 1% ethanol, 0.30 U/ml alcohol dehydrogenase, 25 uM resazurin, and 0.25 U/ml diaphorase for 50 min at RT. The concentration of NAD is proportional to the fluorescence signal at Ex540 nm/Em 590 nm.
7937	2	Chemiluminescent Assay	PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with the kits. Briefly, histones were coated in a high binding plate first, and incubated with PARP-2 or PARP-3, and increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD and activated DNA were added to the wells. The biotinylated PARsylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. 
7937	3	Chemiluminescent Assay	Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GST-fused tankyrase-2 (recombinant protein expressed and purified from Bacluovirus) were coated on a GSH-precoated plate first, and incubated with increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD was added to the wells. The biotinylated auto-PARsylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. 
13092	1	Microscale Thermophoresis (MST) to Test KMT9-Binding	To determine the binding affinity of the compound to KMT9, microscale thermophoresis (MST) analysis was performed with a NanoTemper Monolith NT.115 instrument (NanoTemper Technologies GmbH). KMT9 was labelled with a RED-Tris-NTA labelling kit (NanoTemper Technologies GmbH) based on the manufacturer&#39;s instructions. Buffer including 25 mM HEPES (pH 7.5), 100 mM NaCl, 1 mM DTT and 0.05% Tween was used for the reaction buffer. Varying concentrations of the compound were titrated against His-tag labelled KMT9 proteins (20 nM). Samples were loaded into standard Capillaries (NanoTemper Technologies GmbH) and MST measurements were performed using 40% MST power and 100% LED power. For each set of binding experiments, MST measurement was carried out with Binding Affinity module in MO. Control program under Nano-RED Excitation. Datasets were processed with the MO. Affinity Analysis software (NanoTemper Technologies GmbH).
13093	1	Electrophysiology	Experiments are conducted at r.t. using IonWorks Quattro™ planar array electrophysiology technology (Molecular Devices Corp.) with PatchPlate™ PPC. Stimulation protocols and data acquisition are carried out using a microcomputer (Dell Pentium 4). Planar electrode hole resistances (Rp) are determined by applying a 10 mV voltage step across each well. These measurements are performed before cell addition. After cell addition and seal formation, a seal test is performed by applying a voltage step from −80 mV to −70 mV for 160 ms. Following this, amphotericin-B solution is added to the intracellular face of the electrode to achieve intracellular access. Cells are held at −70 mV. Leak subtraction is conducted in all experiments by applying 50 ms hyperpolarizing (10 mV) prepulses to evoke leak currents followed by a 20 ms period at the holding potential before test pulses.
13094	1	Human Glucocorticoid Receptor (hGR) Ligand-Binding Assay	The human lymphoblast cell line IM9 (ATCC, Bethesda, MD) was cultivated in RPMI 1640 media containing 10% fetal bovine serum, penicillin (100 U/ml), streptomycin (100 μg/ml), and 2 mM L-glutamine at 37° and 7% CO2 in a humidified incubator. Cells were centrifuged for 10 minutes at 1500 g and were washed in PBS and repelleted. Cell were then resuspended in homogenization buffer consisting of: 10 mM TES, 10 mM sodium molybdate, 1 mM EDTA, pH 7.4, 20 mM 2-mercaptoethanol, and 10% glycerol. Disruption of the cells was performed by nitrogen cavitation using 2×15 minutes at 600 to 750 psi nitrogen in a N2 cavitator at 0° C. The cell preparation was then centrifuged at 27,000 g for 15 minutes, and the resultant supernatant (=cytosol of IM9 cells) was centrifuged at 103,000 g for 60 minutes at 4° C. The amount of protein in the supernatant fraction was determined using a BCA assay kit and aliquots were snap frozen in a dry ice-acetone bath and stored at −70° C. Competitive binding assays were done in duplicate in homogenization buffer with a total volume of 200 μl. To this end, 1 mg of IM9 cytosol, 0.05 μCi (1.5 nM) of 3H-dexamethasone and unlabeled Example compounds as competitor compounds at 1 μM were mixed. The reaction was stopped after incubation at 0° C. for 16 to 18 hours by the addition of 100 μl of a charcoal-dextran mixture (2% activated charcoal, 0.5% dextran in 10 mM Tris, 1 mM EDTA, pH 7.4). Another incubation step at 0° C. for 10 minutes followed before the samples were centrifuged for 5 minutes at 8200 g. 100 μl of the supernatant) was finally assayed for radioactivity by liquid scintillationspectrometry, and percentage inhibition of 3H-dexamethasone binding was calculated.
7939	1	Scintillation Proximity Assay	The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Healthcare, former Amersham Biosciences, product number: TRKQ 7100). As enzyme source, lysate (PBS with 1% Triton X-100 supplemented with protease inhibitors, cell debris removed by centrifugation at 13.000 rpm for 30 min) of SF 9 cell expressing the human PDE9A2 was used. The total protein amount included in the assay varied upon infection and production efficacy of the SF9 cells and lay in the range of 0.1-100 ng. In general, the assay conditions were as follows: total assay volume: 40 microlitre; protein amount: 0.1-50 ng; substrate concentration (cGMP): 20 nanomolar; ~1 mCi/l; incubation time: 60 min at room temperature; final DMSO concentration: 0.2-1%. The assays were run in 384-well format. The test reagents as well as the enzyme and the substrate were diluted in assay buffer. The assay buffer contained 50 mM Tris, 8.3 mM MgCl2, 1.7 mM EGTA, 0.1% BSA, 0.05% Tween 20; the pH of assay buffer was adjusted to 7.5. The reaction was stopped by applying a PDE9 specific inhibitor (e.g. compounds according to WO 2004/099210 or WO 2004/099211, like one of the enantiomers of example 37, e.g. 1-(2-Chlorophenyl)-6-[2R)-3,3,3-trifluoro-2-methyl-propyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-one) in excess.
7940	1	Inhibition Assay	Particularly, pancreatic lipase inhibiting activity was measured by the conventional method known to those in the art (Kim, J. H.; Kim, H. J.; Park, H. W.; Youn, S. H.; Choi, D. Y.; Shin, C. S. FEMS Microbiol. Lett. 2007, 276, 93.). To prepare the enzyme buffer, 30 mL (10 units) of pig pancreatic lipase solution (Sigma, St. Louis, Mo.) and 1 mM EDTA (pH 6.8) were mixed with 10 mM MOPS (morpholinepropanesulphonic acid), which was added to 850 mL of tris buffer (100 mM Tris-HCl and 5 mM CaCl2, pH 7.0). Then, 100 mL of the rotenoisin A or B of the present invention was mixed with the prepared enzyme buffer at the experimental concentration. As the positive control, 880 mL of Orlistat (Roche, Basel, Switzerland) was mixed with the enzyme buffer. 20 mL of substrate solution containing 20 mM p-nitrophenylbutyrate dissolved in dimethyl formaide was added to the enzyme buffer, followed by culture for 15 minutes at 37° C. that was the temperature adequate for enzyme reaction.
7941	1	BACE1 FRET Assay	Ten &mu;L of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25 &mu;L of 50 mM KH2PO4, pH 4.6, 1 mM TRITON&reg; X-100, 1 mg/mL Bovine Serum Albumin, and 15 &mu;M of FRET substrate) (See Yang, et. al., J. Neurochemistry, 91(6) 1249-59 (2004)). The content is mixed well on a plate shaker for 10 minutes. Fifteen &mu;L of two hundred pM human BACE1(1-460):Fc (See Vasser, et al., Science, 286, 735-741 (1999)) in the KH2PO4 buffer is added to the plate containing substrate and test compounds to initiate the reaction. The RFU of the mixture at time 0 is recorded at excitation wavelength 355 nm and emission wavelength 460 nm, after brief mixing on a plate shaker. The reaction plate is covered with aluminum foil and kept in a dark humidified oven at room temperature for 16 to 24 h. The RFU at the end of incubation is recorded with the same excitation and emission settings used at time 0.
7942	1	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes (0.25 mg/mL) and NADPH (1 mM) in the presence of the probe substrate ethoxyresorufin (0.5 &#956;M) for 5 min at 37° C. The selective CYP1A inhibitor, alpha-naphthoflavone, is screened alongside the test compounds as a positive control.
7942	2	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes (0.1 mg/mL) and NADPH (1 mM) in the presence of the probe substrate bupropion (110 &#956;M) for 5 min at 37° C. The selective CYP2B6 inhibitor, ticlopidine, is screened alongside the test compounds as a positive control.
7942	3	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes (0.25 mg/mL) and NADPH (1 mM) in the presence of the probe substrate paclitaxel (7.5 &#956;M) for 30 min at 37° C. The selective CYP2C8 inhibitor, montelukast, is screened alongside the test compounds as a positive control.
7942	4	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsomes (1 mg/mL) and NADPH (1 mM) in the presence of the probe substrate tolbutamide (120 &#956;M) for 60 min at 37° C. The selective CYP2C9 inhibitor, sulphaphenazole, is screened alongside the test compounds as a positive control.
7942	5	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsomes (0.5 mg/mL) and NADPH (1 mM) in the presence of the probe substrate mephenytoin (25 &#956;M) for 60 min at 37° C. The selective CYP2C19 inhibitor, tranylcypromine, is screened alongside the test compounds as a positive control.
7942	6	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.25%) are incubated with human liver microsomes (0.5 mg/mL) and NADPH (1 mM) in the presence of the probe substrate dextromethorphan (5 &#956;M) for 5 mM at 37° C. The selective CYP2D6 inhibitor, quinidine, is screened alongside the test compounds as a positive control.
7942	7	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.26%) are incubated with human liver microsomes (0.1 mg/mL) and NADPH (1 mM) in the presence of the probe substrate midazolam (2.5 &#956;M) for 5 min at 37° C. The selective CYP3A4 inhibitor, ketoconazole, is screened alongside the test compounds as a positive control.
7942	8	Inhibition Assay	Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 &#956;M in DMSO; final DMSO concentration=0.275%) are incubated with human liver microsomes (0.5 mg/mL) and NADPH (1 mM) in the presence of the probe substrate testosterone (50 &#956;M) for 5 min at 37° C. The selective CYP3A4 inhibitor, ketoconazole, is screened alongside the test compounds as a positive control.
7931	1	Enzyme Assay	The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112) and employs HTRF (homogeneous time resolved fluorescence) technology to detect the product in a 96-well plate format. The phosphorylation of biotinylated-BAD (S112) peptide by full length recombinant Pim-1, Pim-2, or Pim-3 protein was detected with streptavidin:Allophycocyanin (APC) conjugate and a europium (Eu) labeled antibody directed against phosphorylated-BAD (S112). Excitation of Eu by a high energy laser light (337 nm) leads to a transfer of energy to the APC molecule, and results in an emission at 665 nm. The fluorescence is directly proportional to the amount of phosphorylated BAD peptide present in the reaction.Compounds were prepared in DMSO by conducting 3-fold serial dilutions to give a 10-point dosing curve having a high dose of 1 uM. A reference compound was included on each assay plate in order to validate that plate; on
7938	1	Inhibition Assay	5 &#956;L of a human cathepsin S enzyme (R&D1183-CY-010) was added to a 96-well plate so as to be 20 ng/well. Next, 10-fold dilution of the test compound (a 10 mM DMSO solution) was serially performed with a buffer solution for assay (a solution of 50 mM sodium methoxide, 250 mM sodium chloride and 5 mM dithiothreitol (DTT), adjusted to pH=4.5 with 1 N hydrochloric acid) six times such that the final concentration becomes 0.1 nM to 10 &#956;M then, 20 &#956;L of each of the solutions was added to the wells (the final DMSO concentration was 0.1%), and 25 &#956;L of synthetic substrate VVR-AMC (3211-V manufactured by PEPTIDE INSTITUTE, INC.) was added thereto such that the final concentration becomes 40 &#956;M, thereby starting a enzyme reaction. A fluorescence intensity (an excitation wavelength: 380 nm and a fluorescent wavelength: 460 nm) was measured at 37° C. for 10 minutes immediately after the start of the reaction using a fluorescence spectrophotometer (SPECTRA MAX GEMINI, manu
7938	2	Inhibition Assay	First, spleen cells collected from C57BL/6 mice were seeded in a 96-well plate so as to be a 1× 105 cells/well, then, 5-fold dilution of 10 mM DMSO solution of the test compound was serially performed with RPMI 1640 medium (including 10% fetal bovine serum (FCS), 5×10^&#8722;5 M 2-mercaptoethanol, 50 IU/mL penicillin and 50 &#956;g/mL streptomycin) nine times such that the final concentration becomes 0.026 nM to 10 &#956;M, and the resultant products were added thereto (the final DMSO concentration was 0.1%). At the same time, LPS (Sigma L4005) was added to the wells such that the final concentration becomes 2 &#956;g/mL, and culture was performed at 37° C. for 48 hours in 5% CO2. After culturing, the cells were stained at 4° C. for 20 minutes with PE-labeled streptavidin (BD BIOSCIENCE 554061) and biotin-labeled YAe antibody (EBIOSCIENCE 13-5741-85) together with FITC-labeled anti-mouse B220 antibody (BD BIOSCIENCE 553088), and an expression level (fluorescence intensity of YAe-bioti
7924	1	PRC2 Biochemical Assay	To assess the compounds potency in the H3K27me0 peptide (21&#150;44)-based PRC2 enzymatic assay, compounds were serially diluted three-fold in DMSO to obtain a total of twelve concentrations. Then, compounds at each concentration were transferred by Mosquito into a 384-well PerkinElmer ProxiPlate 384 plus plate. The typical reaction (12 &#956;l) includes 1 &#956;M SAM (at Km), 1.5 &#956;M H3K27me0 peptide (at Km) and 10 nM PRC2 in the assay buffer composed of 20 mM Tris&#150;HCl, pH 8.0, 0.01% Triton X-100, 0.5 mM DTT and 0.1% BSA. The reactions were stopped by adding 3 &#956;l quench solution containing 2.5% TFA and 320 nM SAH-d4 (Cayman chemical). The procedure for the PRC2 LC&#150;MS assay with recombinant nucleosome core particles (NCP) as substrate was very similar to the H3K27me0 peptide based LC&#150;MS assay described above except NCP was used as substrate. Meanwhile, activation peptide H3K27me3 (21&#150;44) was included to stimulate the PRC2 activity against nucleosome substr
7924	2	Isothermal Titration Calorimetry (ITC)	ITC experiments were performed by Auto ITC200 (Microcal) at 25 °C. ITC sample cell was filled with 10 &#956;M PRC2 in titration buffer (25 mM HEPES pH 8.0, 150 mM NaCl, 1% DMSO). 40 &#956;l of 100 &#956;M EED226 in the same titration buffer was loaded in the ITC syringe. 19 injections, each 2 &#956;l, from the syringe were injected into the ITC cell at 150 s intervals. For the EED226 titrating to EED protein, the cell was filled with 15 &#956;M EED while 100 &#956;M EED226 in the syringe.
7924	3	HMT Assay	All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].
7943	1	Isothermal Titration Calorimetry (ITC)	Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37°C, and data were analyzed using the Origen ITC analysis software package supplied by MicroCal. Purified test proteins were dialyzed overnight against 10 mM Tris-HCl, pH 7.4, at 4°C. The resultant dialysis buffer was then used to dissolve the test compounds. Titrations were always preceded by an initial injection of 3 &#956;L and were carried out using 10-&#956;L injections applied 300 s apart. The sample was stirred at a speed of 400 rpm throughout.
7944	1	p-NPP Assay	For the 96-well plate validation assay, sodium orthovanadate (Sigma Aldrich) was utilized as a positive control for inhibition [Swarup et al., Biochem. Biophys. Res. Commun., 107:1104-9] at a final concentration of 10 &#956;M, to completely block DUSP5(WT) enzymatic activity. All plate assays were performed in standard 96-well clearbottom plates (Thermo Scientific Nunc) with a total assay volume of 200 &#956;L, using a SpectraMax M5 Microplate Reader (Molecular Devices). The plate validation assay was performed with replicate columns of positive control wells, negative control wells and blank wells. Blank columns contained only buffer and pNPP. Negative control (uninhibited) contained buffer, pNPP, and DUSP5PD(WT); and, positive control contained the same components,but also contained 10 &#956;M sodium orthovanadate. The plate was then shaken and allowed to equilibrate in the spectrophotometer at 25 &deg;C for 30 min. After incubation, 4 &#956;L of a 50 &#956;M enzyme stock was dispensed into appropriate wells utilizing a single-channel pipette. This produced a final enzyme concentration of1 &#956;M. Before a read was taken, the plate was shaken for five seconds. The initial rate for the DUSP5PD(WT) reaction was linear for approximately 90 min;and, the plate was kept in the spectrophotometer at 25 &deg;C for an additional 80 min after the kinetic read. The endpoint reading was subsequently taken at 90 min after initiation of reaction.
7945	1	BTK FRET Competitive Binding Assay	The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. Ther., 341:90-103] For the BTK Omnia kinetic assay used in the mechanism of action experiments, assay reagents were prepared from the Omnia Y peptide 5 kit as follows: kinase reaction buffer was diluted to 1X in dH2O. A 10X substrate (100 &#956;m) was prepared in dH20. ATP was prepared at 1 mM (10&times;) in dH2O, and 2 mM (10&times;) DTT was prepared in dH2O. A master mix of kinase buffer (10&times;), peptide (10&times;), and DTT (10&times;), all at 2 &#956;L, and dH2O (4 &#956;L) was prepared per well. Untagged BTK enzyme was run in a final concentration of 20 nM. Compounds at varying concentrations and ATP dilutions were prepared in 1V kinase buffer. Final compound DMSO concentration was 1.25 %. In a black non-binding plate (Corning 3676), enzyme (5 &#956;L) was added to compound/ATP mix (5 &#956;L). The plate was incubated for 20 min at 30 &deg;C, then master mix (10 &#956;L) was added into each well and mixed. The plate was incubated at 30 &deg;C, and fluorescence intensity readings at &#955;ex=360 nm, &#955;em=485 nm was collected at predetermined intervals on the Tecan M1000.
7946	1	Resonance Raman Assay	Samples for solution resonance Raman spectroscopic studies were prepared withfinal concentrations of 75 &#956;M WT DHP B and 3.75 mM azole in 100 mM KPi (pH 7 or 9) containing 10% MeOH (v/v) and then transferred to a 5 mm outside diameter glass NMR tube. Anaerobic samples were prepared inside a glovebox in the same fashion using septum-capped NMR tubes. Spectra were recorded by Soret band excitation (400&#8722;430 nm, 60 mW power) as previously described. [Barrios et al., J. Am. Chem. Soc., 136:7914-7925]
7947	1	Enzymatic Assay	Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates coated with Neutravidin (Pierce Biotechnology). Brd 4770 was used as a positive control. Test compounds were diluted to 12 &#956;g/ml in Baffer A (50 mM Tris-HCl pH 8.5 containing 4% DMSO) and 10 &#956;l was dispensed into the wells. Blank and control wells received only compound buffer. GST-G9a at 10 &#956;g/ml and SAM at 40 &#956;M were diluted in Buffer B (50 mM Tris HCl pH 8.5/10 mM DTT) and added in a volume of 20 &#956;L. Blank wells received Tris/DTT buffer only. The reactions were initiated by the addition of 800 nM H3 (1-20)-cysbiotin substrate in Buffer C (50 mM Tris pH 8.5) in a volume of 10 &#956;L, and incubated at room temperature for 60 min. The plates were washed 3 times with 100 &#956;L of Wash Buffer (50 mM Tris pH 7.4, 150 mM NaCl, 0.05% Tween 20, 0.2% BSA). Next, 50 &#956;l of Fluoroimmunoassay (FI) Buffer (50 mM Tris HCl pH 7.8, 150 mM NaCl, 0.05% Tween 40, 25 &mu;M DTPA, 0.2% BSA, 0.05% BGG) containing 5 ng &#945;-2X-di-meth H3-K9 and 5 ng goat anti-rabbit Eu chelate (Perkin Elmer Life Sciences) was added to all wells of the plate, and the plate was incubated for an additional hour at room temperature. The plates were washed 3 times with 100 &#956;L of Wash Buffer, and 50 &#956;L of Enhancement Solution (Perkin Elmer Life Sciences) was added to each well. Time resolved fluorescence was measured after 45 min on a Viewlux Microplate Imager (Perkin Elmer Life Sciences) imaging for 15 s with a 354 &#956;s window, 400 &#956;s delay, excitation at 360 nm, and emission at 618 nm.
7948	1	LSD1 Screening Assay	The LSD1 screening biochemical assay was performed by Shanghai ChemPartner Co. Ltd and the detailed protocol was shown as followed. The AlphaLISA assay of LSD1 (BPS Bioscience) was performed in modified Tris buffer (pH 7.5). Briefly, the compoundsin DMSO were transferred to assay plate by Echo 550, followed by pre-incubating with enzyme (final concentration is 5 nM) for 15 min at room temperature. The initiation of reactions were added H3K4me2 peptide solution (final concentration is 100 nM) to the reaction mixtures and then incubated for 60 min at roomtemperature. The reactions were terminated by the addition of the acceptor and donor beads mix (PerkinElmer) and incubated for 60 min at room temperature, and finally read on EnSpire (PerkinElmer) in Alpha Mode.
7948	2	MAO-A and MAO-B Assay	The MAO-A and MAO-B is purchased from Active Motif (Cat#31502, Cat#31503). Biochemical Kit is purchased from Promega (MAO-Glo Assay, V1402). The inhibition of selectivity assay was preformed in light of the manufacturer&#39;s protocol.
7949	1	Cholinesterase Activity Assay	Reactions were performed in a mediumcontaining substrate (0.05-0.4 mM) combined with 0.125 mM DTNB in 100 mM 3-(N-morpholino)propanesulfonic acid buffer, pH 8.0 at 25 &deg;C, initiated by the addition of enzyme, and monitored spectrophotometrically at 412 nm in a UV-visible 1700 Shimadzu PC spectrophotometer. The activity was determined by measuring the increase in absorbance at 412 nm for 7 min (&epsilon;TNB = 14.2 mM^-1 cm^-1). Activities of the treated samples were compared to control to estimate percentage of inhibition (I%). Dose-response curves were plotted using the GraphPad Prism 5 software and IC50 values were determined. Data are expressed as mean &plusmn; SEM. An enzyme kinetic assay was performed for compound 2 at different butyrylthiocholine (BTC) concentrations (0.05-0.3 mM). Donepezil-HCl (Sigma) was tested as a reference compound.
7950	1	In Vitro &alpha;-Glucosidase Inhibitory Assay	The &alpha;-glucosidase inhibition assay had been carried out using baker's yeast &alpha;-glucosidase (EC 3.2.1.20) and p-nitrophenyl &alpha;-d-glucopyranoside. The test compounds were dissolved in DMSO to prepare the required distributing concentration. &alpha;-Glucosidase inhibitory activity was assayed by using 0.1 M phosphate buffer (pH 6.8) at 37 &deg;C. The enzyme (0.1 U/mL) in phosphate buffer saline was incubated with various concentrations of test compounds at 37 &deg;C for 15 min. Then 1.25 mM p-nitrophenyl &alpha;-d-glucopyranoside was added to the mixture as a substrate. After further incubation at 37 &deg;C for 30 min. The absorbance was measured spectrophotometrically at 405 nm. The sample solution was replaced by DMSO as a control. Acarbose was used as a positive control. All experiments were carried out in triplicates.
7951	1	DNA-PK Enzyme Inhibitory Assay	The assays of DNA-PK were performed by Reaction Biology Corporation, One Great Valley Parkway, Suite 2 Malvern, PA 19355 USA. All Compounds were dissolved in DMSO (negative control solvent) and tested for their ability to inhibit human DNA-PK enzyme activity. All synthesized compounds were tested in a 10-dose IC50 profile with 4-fold serial dilutions starting at concentration 100 &mu;M. The control compound, LY294002 was tested in a 10-dose IC50 profile with 3-fold serial dilutions starting at 10 &mu;M concentration. Reactions were carried out using 20 &mu;M peptide substrate [EPPLSQEAFADLWKK], 10 &mu;g/ml DNA and 10 &mu;M ATP using the HTRF assay format.
7952	2	OctetRed_Method2	OctetRed_Method2
7952	1	OctetRed_Method1	OctetRed_Method1
7952	3	OctetRed_Method3	OctetRed_Method3
7953	1	OctetRed_Method1	OctetRed_Method1
7953	3	OctetRed_Method3	OctetRed_Method3
7954	1	33P-Radiometric_Method1	33P-Radiometric_Method1
7955	1	Photometric_Method2	Photometric_Method2
7956	1	DNTB-Coupled_Enzyme_Assay	DNTB-Coupled_Enzyme_Assay
7957	1	Thermofluor_Method1	Thermofluor_Method1
7958	1	SYK assay_HTRF	SYK assay_HTRF
7959	1	ScintillationProximity_Assay	ScintillationProximity_Assay
7960	1	Photometric_Method1	Photometric_Method1
7961	1	Thermofluor_Method2	CSAR Thermofluor_Method2
7962	1	FRET Assay	FRET Assay 1
7962	2	Thermofluor Assay	Thermofluor Assay
7962	3	ITC	ITC
7963	1	Z&#39;Lyte Assay	Z&#39;Lyte Assay
7964	1	Scintillation Proximity Assay (SPA)	The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [3H]2,N-dicyclohexyl-2-[2-(2,4-dimethoxy-phenyl)-benzoimidazol-1-yl]acetamide, the test compound and the buffer. The amount of radioligand that remained bound was determined; dose response curves were then generated and the IC50s calculated.
7966	1	D3R245	D3R245
7967	1	D3R246	D3R246
7968	1	Biolayer Interferometry (BLI) Assay	The experiments were conducted using the Octet Red System (Forte bio, MenloPark, CA). Biotinylated peptides were immobilized on kinetics grade Streptavidin biosensors. The peptides, coupled to the biosensors, were titrated with &#963;B at increasing concentrations in a buffer with 25 mM phosphate and 125 mM NaCl (PBS) with 0.1 mg/mL BSA and 0.05% (v/v) Tween 20; 0.01% BSA and 0.05% (v/v) Tween 20 were used to prevent nonspecific interaction of &#963;B with the sensor surface. The analyte was subsequently allowed to dissociate in PBS with 0.1 mg/mL BSA and 0.05% (v/v) Tween 20. The ligands were regenerated for reuse by washing the bound analyte (&#963;B) with 1 M MgCl2. A loaded biosensor with only interaction buffer was used as a control for nonspecific interactions.
7969	1	AChE/BChE Inhibitory Assay	AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric eel type-VI-S, Sigma-Aldrich GmbH USA, code 1001596210), BChE (Equine serum Lyophilized Sigma-Aldrich GmbH USA, code 101292670) and DTNB (Sigma-Aldrich Germany, code 101261619), which produced colored product (5-thio-2-nitrobenzoate) whose concentration can be measured by the increase in absorbance at 412 nm using mQuant microplate spectrophotometer (MQX200, BioTek USA). Other reagents, like Acetylthiocholine iodide (Sigma-Aldrich UK, code 101303874), Butyrylthiocholine Iodide (Sigma-Aldrich Switzerland, code 101334643) were employed. Galantamine hydrobromide Lycoris Sp. (Sigma-Aldrich France, code G1660) and Donepezil were used as reference drugs. Stock solution of the synthesized quinazoline was prepared with 0.1 M phosphate buffer (KH2PO4/K2HPO4) having of pH 8.0. Appropriate amount of DTNB (Ellman's reagent), quinazoline compounds, 0.03 U/ml of enzymes (AChE and BChE) were reacted by pre-incubating at 30 &deg;C for 10 min and then further incubating for 15 min after addition of 1 mM ATCI or BTCI.
7970	1	PTP1B Assay	In each 96-well plates (total 200 &#956;L of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 &#956;g) in a buffer containing 50 mM citrate (pH 6.0), 0.1 M NaCl, 1 mM EDTA, and 1 mM dithiothreitol (DTT) with or without test compound, following by pre-incubated at 37 °C for 10 min, and then implemented with 50 &#956;L of p-NPP. The reaction was finally added with 10 M NaOH. The amount of product (p-NP) was measured the absorbance at 405 nm. The excess amounts of 2mM p-NPP were determined with absorbance at 405 nm obtained in the absence of PTP1B enzyme.
7971	1	Dihydrofolate Reductase (DHFR) Inhibition Assay	The assay mixture contained 50 &#956;M Tris-HCl buffer (pH 7.4), 50 &#956;M NADPH, 10 &#956;l DMSO or the same volume of DMSO solution containing the test compounds to a final concentration of 10^-11-10^-5 M, and 10 &#956;l of bovine liver DHFR, in a final volume of 1.0 ml [Pignatello et al., Pharm. Pharmacol. Commun., 5:299-304]. After addition of the enzyme, the mixture was incubated at room temperature for 2.0 min, and the reaction was initiated by adding 5 &#956;l of dihydrofolic acid, the change in absorbance (&#916;OD/min) was measured by the spectrophotometer at 340 nm and 22 °C, kinetic program (reading every 15 s for 2.5 min).
7972	1	PTP1B Inhibitory Assay	PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or without tested compounds. The plate was pre-incubated at 37 °C for 10 min, and then 50 &#956;L of p-NPP in buffer was added. After incubating at 37 °C for 30 min, the reaction was then terminated with 1 N NaOH. The amount of produced p-nitrophenyl after enzymatic dephosphorylation was obtained by measuring the absorbance at 405 nm using a VersaMax microplate reader (Molecular Devices, Sunnyvale, CA, USA). The non-enzymatic reactions of 2 mM p-NPP were determined by measuring the increase in absorbance at 405 nm without PTB1B enzyme.
7972	2	Acetylcholinesterase Inhibitory Assay	Briefly, 140 &#956;L of sodium phosphate buffer (pH 8.0), 20 &#956;L of each tested compound with different concentrations (4, 20, and 100 &#956;M) and 20 &#956;L enzyme solution were mixed and incubated at room temperature for 15 min. The reactions were initiated by the addition of 10 &#956;L of 0.01 M 5,5&#39;-dithiobis(2-nitrobenzoic acid) (DTNB) and 10 &#956;L of 0.075 ATCI. The reaction solution was incubated at 37 °C for 20 min, then the production of thiocholine reacts with DTNB to produce a yellow compound (5-thio-nitrobenzoate), which was detected at 412 nm. All tested samples and the positive control (berberine) [Nguyen et al., Bioorg. Med. Chem., 23:3126-3134] were dissolved in 10% analytical grade dimethyl sulfoxide (DMSO). The reaction was independently experimented for three times and recorded in 96-well microplates using a microplate reader (VersaMax).
7972	3	Kinetic Analysis	The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. The kinetic analysis was evaluated for Michaelis-Menten plot, Lineweaver-Burk plot, and Dixon plot. The Michaelis constant (Km), maximum velocity (Vmax), and the inhibition constants (Ki) were determined by using Sigma Plot software (13.0 software, SPCC Inc., Chicago, IL, USA).
7973	1	Activity Assay	The compounds according to the invention underwent pharmacological trials to measure the selectivity toward human lipid kinases and especially human PI3K&alpha;. The test uses a luciferin/luciferase system to measure the concentration of ATP and its consumption during the enzymatic reaction. The test is performed in 96-well format (Corning/Costar 96 black flat-bottomed half-wells plate, ref. 3694) in a total volume of 30 &mu;l. To 1 &mu;l of inhibitor in 100% DMSO are added (final concentrations) 50 &mu;M of the substrate PIP2 ((L-&alpha;-phosphatidyl-D-myoinositol 4,5-bisphosphate, Calbiochem 524644), 2 &mu;M of ATP and 1.7 &mu;g/mL of PI3K&alpha;(p110&alpha;/p85&alpha;, Invitrogen PV4788) in a buffer of Tris/HCl 50 mM pH 7.5, EGTA 1 mM, MgCl2 10 mM, Chaps 0.03%, 1 mM DTT). After 90 minutes, the reaction is quenched by adding 20 &mu;l/well of KinaseGlo reagent (Promega V6713). After 10 minutes in the dark, the luminescence is read using a PHERAStar microplate reader (reading at 0.8 sec/well).
7975	1	PIM Kinase Binding Assay	LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO. PIM reactions were carried out in a final volume of 10 &mu;L per well in a 384-well plate. A standard enzymatic reaction, initiated by the addition of 5 &mu;L 2&times;ATP and test compound to 5 &mu;L of 2&times; enzyme and FAM-peptide, contained 20 pM PIM1, 50 pM PIM2, or 55 pM PIM3, 1 &mu;M FAM-peptide, and 10 &mu;M ATP, in Reaction Buffer. After 90 minutes of incubation at room temperature, the phosphorylation reaction was stopped by the addition of 10 &mu;L Termination Buffer. The product and substrate in each independent reaction were separated on a 12-sipper microfluidic chip (Caliper Life Sciences, Hopkinton, Mass.) run on a Caliper LC3000&reg; (Caliper Life Sciences, Hopkinton, Mass.). The separation of product and substrate was optimized by choosing voltages and pressure using Caliper's Optimizer software (Hopkinton, Mass.). The separation conditions used a downstream voltage of &minus;500V, an upstream voltage of &minus;2150V, and a screening pressure of &minus;1.2 psi. The product and substrate fluorophore were excited at 488 nm and detected at 530 nm.
7976	1	Binding Assay	The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determined in the presence of excess unlabeled ligand. 
7976	2	Binding Assay	The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determined in the presence of excess unlabeled ligand. [3H]-histamine was used as the ligand in this study and the affinity values were determined according to the Cheng-Prusoff equation.
7977	1	MPS1/PERK Biochemical Assay	The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay. Specific peptide or protein substrates are trans-phosphorylated by their specific ser-thr or tyr kinase in the presence of ATP traced with 33P-&gamma;-ATP, and in the presence of their own optimal buffer and cofactors. The buffer for MPS1 assay was composed of HEPES 50 mM, at pH 7.5, with 2.5 mM MgCl2, 1 mM MnCl2, 1 mM DTT, 3 microM Na3VO4, 2 mM &beta;-glycerophosphate and 0.2 mg/mL BSA. The buffer for PERK assay was composed of HEPES 50 mM, at pH 7.5 with 3 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. The assay was run with a final concentration MPS1 of 5 nM, in the presence of 15 microM ATP and 1.5 nM 33P-&gamma;-ATP; the substrate was P38-&beta;tide, used at 200 microM. The assay was run with a final concentration PERK of 8 nM, in the presence of 52 microM ATP and 2 nM 33P-&gamma;-ATP; the substrate was eIF2alfa-tide, used at 300 microM. 384-well plates, V bottom (test plates) are prepared with 5 microL of the compound dilution (3&times;) and then placed onto a PlateTrak 12 robotized station (Perkin Elmer; the robot has one 384-tips pipetting head for starting the assay plus one 96-tips head for dispensing the resin) together with one reservoir for the Enzyme mix (3&times;) and one for the ATP mix (3&times;). At the start of the run, the robot aspirates 5 microL of ATP mix, makes an air gap inside the tips (2 microL) and aspirates 5 microL of MPS1 mix or 5 microL of PERK mix. The following dispensation into the plates allows the kinase reaction to start upon 3 cycles of mixing, done by the robot itself. At this point, the correct concentration is restored for all reagents. The robot incubates the plates for 60 minutes at room temperature, and then stops the reaction by pipetting 70 microL of dowex resin suspension into the reaction mix. Three cycles of mixing are done immediately after the addition of the resin. Another mixing cycle is performed after all the plates are stopped, this time using normal tips: the plates are then allowed to rest for about one hour in order to maximize ATP capture. At this point, 22 microL of the supernatant are transferred into 384-Optiplates (Perkin-Elmer), with 50 microL of Microscint 40 (Perkin-Elmer); after 5 min of orbital shaking the plates are read on a Perkin-Elmer Top Count radioactivity counter.
7978	1	Inhibition Assay	S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 &#956;L was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 &#956;M final concentration of SAH and negative control (0% inhibition standard) contained 1 &#956;L of DMSO. SAH was then incubated for 30 minutes with 40 &#956;L per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 &#956;L per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer).
7978	2	Inhibition Assay	Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 &#956;L was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 &#956;M final concentration of SAH and negative control (0% inhibition standard) contained 1 &#956;L of DMSO. Compound 75 was then incubated for 30 minutes with 40 &#956;L per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 &#956;L per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer).
7980	1	mTOR ATP-Binding Assay	1. 8-point serial dilutions of compounds (10 mM stock) are performed in 90% DMSO in a 384-well "masterplate" and 50 nL is transferred onto 384-well assay plates (white polystyrene small volume; Matrix/Thermo Scientific Cat. No. #4365). 2. The final volume of the assay is 10 &mu;L and the order of addition is as follows: 50 nL of compounds dilution; 5 &mu;L of a mixture of GST-mTOR and Europium anti-GST antibody with or without the PI3K/mTOR inhibitor P1-103 (3-(4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol, Calbiochem); 5 &mu;L of tracer-314. Incubated for 60 minutes at room temperature. TR-FRET measured in Biotek Synergy2 reader at: Excitation 340 nm/emission 665 nm; Excitation 340 nm/emission 620 nm. The assay buffer consists of 50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM EGTA, 0.01% Pluronic F-127. Tracer-314 (Alexa Fluor&reg; 647-labeled ATP-competitive kinase inhibitor; Cat. No. PV6087), Europium anti-GST antibody (Cat. No PV5594) and N-terminally GST-tagged truncated human mTOR (FRAP1) (Cat. No PV4754) are available from Invitrogen. The following final concentrations are used: 3 nM GST-mTOR; 1 nM Europium anti-GST antibody; +/&minus; 10 &mu;M P1-103; and 10 nM tracer-314. The final concentrations of diluted compounds are 9091; 2730; 910; 273; 91; 27; 9; and 3 nM. The final concentration of DMSO is 0.45%. The following controls are used: High signal: solvent vehicle, GST-mTOR, Eu-anti-GST antibody, tracer-314; Low signal: solvent vehicle, GST-mTOR, Eu-anti-GST antibody, P1-103, tracer-314.
7981	1	SYK Kinase Assay	Assay plates: 96-well MultiScreen 0.65 &mu;m filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose&trade;, suspension 5.0 mL, in 50 mM EDTA/PBS diluted (1:100), (Amersham, Cat. No.: 17-5113-01) Compounds: 10 mM in 100% dimethylsulfoxide (DMSO), final conc.: compound 0.003-100 &mu;M in 10% DMSO Enzyme: SYK RPA purified, truncated construct of Spleen Tyrosine Kinase aa 360-635, stock solution 1 mg/mL, MW: 31.2 KDa, final conc.:0.0005 &mu;M. In 40 &mu;L volume, 26 &mu;L of ADB diluted, purified recombinant human SYK360-635 [0.5 nM] was mixed with 4 &mu;L of 10&times; concentrations of the test compounds, [usually 100 &mu;M-0.003 &mu;M] in [10%] DMSO and the mixture was incubated for 10 min at RT. The kinase reaction was initiated by the addition of 10 &mu;L 4&times; substrate cocktail containing the DYE peptide substrate [0 or 5 &mu;M], ATP [20 &mu;M] and 33P&gamma;ATP [2 &mu;Ci/r&times;n]. After incubation at 30 &deg;C. for 15 min, the reaction was terminated by the transfer of 25 &mu;L of the reaction sample to a 96 well 0.65 &mu;m Millipore MADVNOB membrane/plate containing 200 &mu;L 5 mM EDTA and 20% Streptavidine coated beads in PBS. The unbound radionucleotides were washed under vacuum with 3&times;250 &mu;L 2M NaCl; 2&times;250 &mu;L 2M NaCl+1% phosphoric acid; 1&times;250 &mu;L H2O. After the last wash membrane/plates were transferred to an adaptor plate, heat dried for 15 min at 60 &deg;C., and 50 &mu;L scintillation cocktail was added to each well and 4 h later the amount of radioactivity was counted in a top counter.
7982	3	GTP&#947;[35S] Functional Assay	Functional activity was evaluated using GTP&#947;[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (human CB2) receptors. The assay relies on the binding of GTP&#947;[35S], a radiolabeled nonhydrolyzable GTP analogue, to the G protein upon binding of an agonist of the G-protein-coupled receptor. In this system, agonists stimulate GTP&#947;[35S] binding whereas neutral antagonist have no effect and inverse agonists decrease GTP&#947;[35S] basal binding.
7982	1	Binding Assay	Cell membrane homogenates (25 &#956;g protein) were incubated for 120 min at 37° C. with 0.5 nM [3H]CP 55940 (the reference standard [Rinaldi-Carmona, 1996 #1320]) in the absence or presence of the test compound in a buffer containing 50 mM Tris HCl (pH 7.4), 5 mM MgCl2, 2.5 mM EDTA, and 0.3% bovine serum albumin (BSA). Nonspecific binding was determined in the presence of 10 &#956;M WIN 55212-2. After being incubated, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B; Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold buffer containing 50 mM Tris HCl (pH 7.4) and 0.5% BSA using a 96-sample cell harvester (Unifilter; Packard). The filters were dried then counted for radioactivity in a scintillation counter (Topcount; Packard) using a scintillation cocktail (Microscint 0; Packard).
7982	2	Binding Assay	Cell membrane homogenates (15 &#956;g protein) were incubated for 120 min at 37° C. with 0.8 nM [3H]WIN 55212-2 (the reference standard [Munro, 1993 #1321]) in the absence or presence of the test compound in a buffer containing 50 mM HEPES/Tris HCL (pH 7.4), 5 mM MgCl2, 2.5 mM EGTA, and 0.1% BSA. Nonspecific binding was determined in the presence of 10 &#956;M WIN 55212-2. After being incubated, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B; Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold buffer containing 50 mM Tris HCl (pH 7.4) and 0.5% BSA using a 96-sample cell harvester (Unifilter; Packard). The filters were dried then counted for radioactivity in a scintillation counter (Topcount; Packard) using a scintillation cocktail (Microscint 0; Packard).
7982	4	cAMP Activation Assay	The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, 0.3, 0.1, 0.03, 0.01 and 0.001 &#956;M. Recombinant cells grown to mid-log phase in culture media without antibiotics were detached with PBS containing 5 mM EDTA, centrifuged and resuspended in assay buffer at a concentration of 16.6×105 cells/ml. The test was performed in 96 well plates. For testing, 12 &#956;l of cells (2×103 cells/well) were mixed with 12 &#956;l of agonist at increasing concentrations. 
7983	1	HIF-PH Assay	Ketoglutaric acid &alpha;-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide were obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay were fragments of HIF&alpha; as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. For example, a HIF peptide for use in the HIF-PH assay was [methoxycoumarin]-DLDLEALAPYIPADDDFQL-amide. HIF-PH, e.g., HIF-PH2 (also known as EGLN1 or PHD2), was expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity was determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contained 50 mM HEPES (pH 7.4), 100 &mu;M &alpha;-ketoglutaric acid sodium salt, 0.30 &mu;Ci/mL &alpha;-ketoglutaric acid &alpha;-[1-14C]-sodium salt, 40 &mu;M FeSO4, 1 mM ascorbate, 1541.8 units/mL Catalase, with or without 50 &mu;M peptide substrate and various concentrations of compound of the invention. Reactions were initiated by addition of HIF-PH enzyme.
7984	1	cAMP Assay	EP4 receptors couple to Gs and mediate elevations in cAMP concentration, although they do participate in other pathways as well. There are some redundancies in function between EP2 and EP4 receptors. For example, both receptors induce PGE2-mediated RANKL through cAMP. 
7984	2	Radioligand Binding	HEK-293 cells stably expressing the human or feline FP receptor, or EP1, EP2, or EP4 receptors were washed with TME buffer, scraped from the bottom of the flasks, and homogenized for 30 sec using a Brinkman PT 10/35 polytron. TME buffer was added to achieve a final 40 ml volume in the centrifuge tubes (the composition of TME is 100 mM TRIS base, 20 mM MgCl2, 2M EDTA; 10N HCl is added to achieve a pH of 7.4). The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4 &deg;C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buffer to give a final 1 mg/ml protein concentration, as determined by Biorad assay. Radioligand binding competition assays vs. [3H-]17-phenyl PGF2a (5 nM) were performed in a 100 &mu;l volume for 60 min. Binding reactions were started by adding plasma membrane fraction. The reaction was terminated by the addition of 4 ml ice-cold TRIS-HCl buffer and rapid filtration through glass fiber GF/B filters using a Brandel cell harvester. The filters were washed 3 times with ice-cold buffer and oven dried for one hour. [3H&minus;] PGE2 (specific activity 180 Ci mmol) was used as the radioligand for EP receptors. [3H] 17-phenyl PGF2a was employed for FP receptor binding studies. Binding studies employing EP1, EP2, EP4 and FP receptors were performed in duplicate in at least three separate experiments. A 200 &mu;l assay volume was used. Incubations were for 60 min at 25 &deg;C. and were terminated by the addition of 4 ml of ice-cold 50 mM TRIS-HCl, followed by rapid filtration through Whatman GF/B filters and three additional 4 ml washes in a cell harvester (Brandel). Competition studies were performed using a final concentration of 5 nM [3H]-PGE2, or 5 nM [3H] 17-phenyl PGF2a and non-specific binding determined with 10^&minus;5M of unlabeled PGE2, or 17-phenyl PGF2a, according to receptor subtype studied.
7985	1	Cholinesterase Activity Assay	The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1 mM and 0.1 mM. Pursuing the procedure described in [Carletti et al., Biochem. J., 421:97-106], the activities were determined as follows: the reaction mixture containing the phosphate buffer, AChE or BChE and the chosen dialkyl-3-cyanopropylphosphate, was prepared and intensively stirred. DTNB and ATCh were then added to the sample and mixed, and the absorbance was then measured at 405 nm using a Thermo Scientific Multiskan FC Microplate Photometer.
7986	1	COX Inhibitor Screening Assay	Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution of heme and COX enzymes prior to assaying. This vial contains a solution of heme in dimethylsulphoxide. Dilute 88 &#956;L of heme with 1.912 mL of diluted assay buffer prior to use. A vial contains a solution of ovine COX-1 and should be kept on ice when thawed. Dilute 200 &#956;L of enzyme with 400 &#956;L of diluted assay buffer and store on ice. A vial contains a solution of ovine COX-2 and should be kept on ice when thawed. Dilute 200 &#956;L of enzyme with 400 &#956;L of diluted assay buffer and store on ice. A vial contains a solution or arachidonic acid in ethanol. Transfer 100 &#956;L of the supplied substrate to another vial, add 100 &#956;L of potassium hydroxide (item no. 760115), vortex, and dilute with 1.8 mL of HPLC - grade water to achieve a final concentration of 1.1 mM. Use the prepared arachidonic acid solution within 30 min. A 20 &#956;L aliquot will yield a final concentration of 100 &#956;M in the wells. A vial contains 0.1 M potassium hydroxide (KOH). A vial contains a solution of TMPD. Background wells: add 160 &#956;L of assay buffer, and 10 &#956;L of heme to three wells. 100% Initial Activity wells: add 150 &#956;L assay buffer, 10 &#956;L of heme, and 10 &#956;L of enzyme (either COX-1 or COX-2) to three wells. Inhibitor wells: add 150 &#956;L of assay buffer, 10 &#956;L of heme, and10 &#956;L of enzyme (either COX-1 or COX-2) to three wells. Add 10 &#956;L of inhibitor to the inhibitor wells and 10 &#956;L of solvent (methanol, dimethylsulphoxide or ethanol) to the 100% Initial Activity wells and background wells, this process was repeated three times. Carefully shake the plate for a few seconds and incubate for five minutes at 25 &deg;C. Add 20 &#956;L of the colorimetric substratesolution to all the wells that you are using. Add 20 &#956;L of arachidonic acid to all the wells you are using. Carefully shake the plate for few seconds and incubate for five minutes at 25 &deg;C. Read the absorbance at 590 nm using a plate reader.
7987	1	In Vitro AChE/BChE Inhibition Assay	The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final concentrationsbetween: 0.1 nM and 2400 nM. AChE and BChE were dissolved in phosphate buffer pH 7.4 to give 2 U/ml and 4 U/ml, respectively. Furthermore, the acetylthiocholine (ATCh) iodide solutions 1 mM and 2 mM for AChE assay and BChE assay were prepared, respectively. The test medium contained DTNB solution 0.4 mg/ml (76 &#956;l), AChE solution 2 U/ml or BChE solution 4 U/ml (10 &#956;l) respectively, various concentrations of the tested compounds (14 &#956;l) and ATCh iodide solutions 1 mM or 2 mM (40 &#956;l) for AChE or BChE, respectively. The medium was mixed and absorption at412 nm was measured after 10 minutes for AChE and after 8 minutes for BChE at room temperature. Each experiment was performed in triplicate. For the reference value, 14 &#956;l of the test compound solutions were replaced by phosphate buffer pH 7.4.
7988	1	PDK Inhibition Assay	To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 &#956;M PDK, 6&#956;M E1, with or without 0.5 &#956;M of the PDC core E2/E3BP, and various amounts of inhibitor was incubated at 25 °C for 10 min in a buffer of 20 mM Tris-Cl, pH 7.5, 10 mM KCl, 5 mM MgCl2, 2 mM DTT, 0.02% (v/v) Tween 20, and 0.1 mg/ml bovine serumalbumin before the addition of 50 &#956;M ATP to initiate the reaction. All inhibition titrations were performed at 10 dose points ranging from 31.6 to 1 mM in a 3.162-fold dilution series, with each inhibitor concentration tested in duplicate. The remaining steps were described previously [Wynn et al., J. Biol. Chem., 283:25305-25315].
7988	2	Isothermal Titration Calorimetry (ITC)	The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl2, and 0.5 mM &#946;-mercaptoethanol. Known or novel PDK inhibitor solutions (150-1500 &#956;M) were placed in the titration syringe and injected in 8-&#956;l increments into the reactioncell containing 1.4 ml of 18-70 &#956;M PDK2 or Hsp90 N-terminal domain at 15 °C in a VP-ITC microcalorimeter (GE Healthcare).
7989	1	Fluorescence-Based Deacetylation Assay	Deacetylation assays using Boc(Ac)Lys-7-amino-4-methyl-coumarin (MAL; Bachem, Bubendorf, Switzerland) as a substrate were performed in a volume of 20 &#956;l in 384-well low volume plates (Eppendorf) in a reaction buffer containing 25 mM Tris-HCl (pH 8.0), 137 mM NaCl, 1 mM MgCl2, 2.7 mM KCl, 1 mg/ml BSA, and 1mM DTT. Enzymes were added at different concentrations to wells in a volume of 10 &#956;l and were preincubated with inhibitors (volume 1 &#956;l, diluted in dimethyl sulfoxide) or with dimethyl sulfoxide as a control for 10 min at room temperature. Subsequently, 10 &#956;l 2&times; concentrated substrate solution containing 200 &#956;M MAL and 2 mM NAD+ was added to initiate the reaction, which was incubated at 37 &deg;C for 4 h. This allowed for ~50% deacetylation of MAL. After incubation, 20 &#956;l of trypsin solution (0.5 mg/ml) was added, and the trypsin cleavage reaction was allowed to proceed at 37 &deg;C for 1 h. Fluorescence readings were obtained using a fluorescence reader(GENiosPro TECAN), with the excitation wavelength set to 360 nm and the emission set to 465 nm.
7990	1	Kinetic Assay	Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) supplemented with 20 mM NaHCO3.
7991	1	&#946;-Glucuronidase Assay	&#946;-glucuronidase activity was determined in accordance to method used by Taha et al. [Taha et al., Bioorg. Med. Chem., 23:7394-7404] by measuring absorbance at 405 nm of p-nitrophenol formed substrate by spectrophotometric method. 250 &#956;L was the volume of total reaction. Reaction mixture containing 5 &#956;L of test compound solution, 185 &#956;L of 0.1 M acetate buffer and 10 &#956;L of enzyme solution were incubated for 30 min at 37 °C. At 405 nm the plates were recorded on multiplate reader (SpectaMax plus 384) after the addition of 50 &#956;L of 0.4 mM p-nitrophenyl-&#946;-d-glucuronide. Experiments were performed for triplicate [Jamil et al., Molecules, 19:8788-8802]. To avoid precipitation, compound concentration was decreased and the volume of reaction was increased (200 &#956;L). Precipitation probability was less thus addition of detergents was not needed.
7992	1	In Vitro MTH1 Enzymatic Assay	Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 &#956;m; TriLink BioTechnologies) or 2-OH-dATP (8.3 &#956;m; Jena Bioscience) to reaction mixture containing test compounds, assay buffer [100 mm Tris-acetate, 40 mm NaCl, 10 mm Mg(OAc)2, 0.005% Tween-20, and 2 mm dithiothreitol (DTT), pH 7.5], His-taggedhuman recombinant MTH1 protein (2 nm; ProSpec), and mixed reagent from the PPiLight Inorganic Pyrophosphate Assay Kit (Lonza Rockland). The amount of pyrophosphate (PPi) generated as a result of MTH1 enzymatic activity was then monitored by recording luminescence signal for 30 min using a luminometer(Molecular Devices).
7993	1	Fluorescence Correlation Spectroscopy (FCS)	For the data shown, 25 nM BD-verapamil was added to various P-gp nanodisc concentrations in the presence of 1 &#956;M empty nanodiscs, and 50 nM BD-vinblastine was added to P-gp nanodiscs in the presence of 0.3 &#956;M empty nanodiscs. Experiments examining the competition between the fluorescent probes and drug substrates for binding were performed in the presence of a fixed concentration of P-gp nanodiscs(300 nM) and dye (as used for binding titrations). Drug stock solutions were created in DMSO, and the final DMSO concentration in FCS samples did not exceed 1% (v/v). Samples were incubated at room temperature (22.5 ± 0.5 °C) for 90 min before measurement; 1 min measurements were recorded for each sample 5&#8722;10 times.
7994	2	TR-FRET Competition Assay	The experiments were performed in 384-well black small volume microtiter plates(Greiner) in a buffer composed of 50mM Hepes, pH 7.5 (Applichem), 50 mM NaCl (Sigma), 400 mM KF (Sigma), 0.5 mM CHAPS (Sigma), and 0.05% BSA (Sigma) in a final volume of 5-10 &#956;l (n = 4). BRD4 (100 nM) protein domains were mixed with 200 nM concentrations of the biotin-labeled histone peptides and incubated for 30 min at room temperature. The protein-peptide complexes at equilibrium were then detected with 5 nM Eu3+ cryptate-conjugated streptavidin (CisBio) and 10 nM anti-His6-XL665 (Cisbio). To analyze the binding of mutated histone peptides at different ionic strengths, streptavidin Eu33+ chelate (W1024, PerkinElmer Life Sciences) was used instead of cryptate as fluorescence donor, and KF was replaced by NaCl at concentrations of 20, 100, and 500 mM. After 3 h of further incubation at 4 &deg;C, the plates were measured in a PheraStar reader (BMG Labtech) using the homogeneous time-resolved fluorescence module (excitation, 337 nm with 10 flashes; emission, 620 and 665 nm). For competition assays 50 nM BRD4 BD1 and 500 nM BD2 protein were preincubated with serial dilutions of the unlabeled H4 (1-25) K5(ac)K8(ac)K12(ac)K16(ac) tetra-acetylated peptide(15 nM to 250 &#956;M, 2-fold) or with JQ1 (0.61 nM to 10 &#956;M, 2-fold) for 30 min at room temperature. The plates were then processed as described above.
7994	3	Fluorescence Polarization Assay	For KD determinations, 10 nM JQ1-TAMRA probe was incubated in 384-well smallvolume black microtiter plates with serial (1:2) dilutions of each BRD4 variant (0.61 nM to 10 &#956;M) in a buffer containing 10 mM HEPES, pH 7.5 (Applichem), 150 mM NaCl (Sigma), 0.005% Tween 20 (Sigma), and 0.5 mM Tris(2-carboxyethyl)phosphine(Calbiochem). After 30 min of incubation at room temperature, the plates were measured in a Tecan M1000 plate reader using its FP module and excitation/emission wavelengths of 530 and 570 nm, respectively.
7994	1	Thermal Shift Assay (TSA)	In a typical TSA, 0.4 &#956;g of BRD4 BD1 protein were mixed with 5× Sypro Orange (Molecular Probe) and adjusted to a final volume of 5 &#956;l with 100 mM HEPES buffer, pH 7.5 (Applichem), and 150 mM NaCl (Sigma). For binding experiments, 1% DMSO (Sigma) or JQ1 in serial dilution (0.14 &#956;M to 100 &#956;M, 3-fold) was added to the mixture. To protect samples from evaporation, they were overlaid with 1 &#956;l of silicone oil DC200 (Sigma). Melting curves were recorded using a ThermoFluor system (Johnson and Johnson Pharmaceutical Research and Development) after heating the samples from 25 up to 95 °C while measuring the fluorescence intensity of the dye with the excitation and emission filters set to 465 and 590 nm, respectively.
7995	1	Fluorescence Polarization Assay	For the fluorescence polarization experiments, 5 nM fluorescently labeled Bag-1L (Bag-1L(1-20), fluorescein isothiocyanate (FITC)-MAQRGGARRPRGDRERLGSR; Bag-1L(61-80), FITC-RGAAAGARRPRMKKKTRRRS) or SRC-2 peptide (FITC-HDSKGQTKLLQLLTTKSDQM) was incubated with serially diluted AR-LBD (4 to 0.4 &#956;M) in binding buffer (50 mM NaPO4, pH 6.5, 50 mM KCl, 1 mM DTT) and 10 &#956;M DHT. The samples were then equilibrated for 45 min at ambient temperature. For the competition experiments, 400 to 0.4 nM Bag-1L core (GARRPR) or SRC-2 peptides (HDSKGQTKLLQLLTTKSDQM) were incubated with 4 &#956;M AR-LBD and 5 nM fluorescent Bag-1 or SRC-2 peptide. Binding was measured using polarization (excitation &#955; = 485 nm, emission &#955; = 530 nm) on a Synergy H1 hybrid reader (Biotek).
7995	2	Mammalian Two-Hybrid Assay	We performed a mammalian one-hybrid assay in HeLa cells, where we transfected a construct coding for a Gal4DBD-BagN128 fusion or just Gal4DBD alone togetherwith a Gal4 binding site-luciferase reporter gene and an AR expression vector. The transfected cells were then treated with or without DHT, and the reporter gene activity was measured.
13095	1	CDK2, CDK4 and CDK6 Kinase Assays	Method 1: In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphorylation ratio of FAM labelled peptide (Peptide 18 for CDK2/CycA2, Peptide 8 for CDK4/CycD3). CDK2/CycA2 and CDK6/CycD3 were assayed under buffer conditions in the presence of 50 mM HEPES (pH 7.5), 10 mM MgCl2, 0.0015% Brij-35 and 2 mM dithiothreitol; CDK4/CycD3 with buffer condition of 20 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% Triton X-100 and 2 mM dithiothreitol. Prepare compounds to 50× of the final desired highest inhibitor concentration by 100% DMSO and serial dilution in 3-fold for total of 10 concentrations. For each isoform, dosage of enzyme and substrate are CDK2/CycA2 12 nM, ATP Km 39 μM; CDK4/CycD3 10 nM, ATP Km 221 μM; CDK6/cycD3 15 nM, ATP Km 800 μM. After assay for 60 min, 180 min, 60 min respectively at 28° C., reactions were terminated with stop solution (50 mM EDTA, 0.015% Brij-35, 0.2% Coating Reagent #3 and 100 mM HEPES (pH 7.5)). Collect conversion on Caliper EZ Reader. IC50 values were calculated by fitting the dose-response curves with Xlfit excel add-in version 4.3.1.Method 2: In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/CycD3 were measured using Mobility Shift Assay that monitors phosphorylation ratio of FAM labelled peptide (Peptide 18 for CDK2/CycA2, Peptide 8 for CDK4/CycD3 and CDK6/CycD3). CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were assayed under buffer conditions in the presence of 50 mM HEPES (pH 7.5), 10 mM MgCl2, 0.0015% Brij-35 and 2 mM dithiothreitol. Prepare compounds to 100× of the final desired highest inhibitor concentration by 100% DMSO and serial dilution in 3-fold for total of 10 concentrations, each concentration contains 1% DMSO. For each isoform, dosage of enzyme and substrate are CDK2/CycA2 2.5 nM, ATP Km 17 μM; CDK4/CycD3 10 nM, ATP Km 250 μM; CDK6/cycD3 5 nM, ATP Km 550 μM. After assay for 30 min, 150 min, 150 min respectively at 28° C., reactions were terminated with stop solution (50 mM EDTA, 0.015% Brij-35, 0.2% Coating Reagent #3 and 100 mM HEPES (pH 7.5)). Collect conversion on Caliper EZ Reader. 
13095	2	HDAC-1 and HDAC-6 Assay 1	The inhibitory effect of compounds on HDAC-1 and HDAC-6 function was determined in vitro using an optimized homogenous assay performed in 384-well plate format. In this assay, recombinant, full-length HDAC-1 or HDAC-6 protein (BPS Biosciences) was incubated with Ac-peptide-AMC with concentration in Km plot. Reactions were performed in Tris-based assay buffer and followed for fluorogenic release of 7-amino-4-methylcoumarin from substrate upon deacetylase and trypsin enzymatic activity. Fluorescence measurements were obtained using a multilabel plate reader (Synergy MX with excitation at 355 nm and emission at 460 nm.). Data were analyzed on a plate-by-plate basis for the linear range of fluorescence over time. Fit the data in GraphPad Prism V5.0 software to obtain ICso values using equation (Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*Hill Slope), Y is % inhibition and X is compound concentration).
13095	3	HDAC-1 and HDAC-6 Assay 2	The inhibitory effect of compounds on HDAC-1 and HDAC-6 function was determined in vitro using an optimized homogenous assay performed in 384-well plate format. In this assay, recombinant, full-length HDAC-1 (Active Motif) and HDAC-6 protein (BPS Biosciences) was incubated with Ac-peptide-AMC with concentration in Km plot. Reactions were performed in Tris-based assay buffer and followed for fluorogenic release of 7-amino-4-methylcoumarin from substrate upon deacetylase and trypsin enzymatic activity. Fluorescence measurements were obtained using a multilabel plate reader (Synergy with excitation at 355 nm and emission at 460 nm.). Data were analyzed on a plate-by-plate basis for the linear range of fluorescence over time. Fit the data in GraphPad Prism V5.0 software to obtain IC50 values using equation (Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*Hill Slope), Y is % inhibition and X is compound concentration).
13096	1	Biochemical JAK and Off-Target Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 μL total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 μM, 3 μM, 1.6 μM, and 10 μM; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 μL preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
13097	1	Competitive Kappa Receptor Binding Assay	Step 1: 50 μL of a vehicle (1% DMSO) was added into a total binding tube (TB), 50 μL of U69593 (with a final concentration of 1.0×10−5 M) was added into a non-specific binding tube (NB), and 50 μL of a test compound was added into each compound binding tube (CB).Step 2: 100 μL of a buffer (homogenate A) was added into each reaction tube.Step 3: the prepared membrane was suspended in the homogenate A to obtain a 15 mg/mL membrane suspension for later use.Step 4: 50 μL of radioligand 3H-U69593 was added into each reaction tube to reach a final concentration of 2 nM.Step 5: 50 μL of the membrane solution was added into each reaction tube.Step 6: each reaction tube was incubated at 25° C. for 90 min. After the reaction was completed, the binding ligands were rapidly filtered under reduced pressure. The UniFilter GF/C plate was saturated with 0.5% PEI solution 1 h in advance, fully washed with cold Tris buffer, filtered under vacuum, then placed into a thermostatic dryer, and dried for 30 min. The filter plate was taken out, and MICROSCINT PS scintillation solution was added at 40 μL/well.Step 7: the filter plate was put into a liquid scintillation counter for counting.
13097	2	Mu Receptor Affinity Assay	Step 1: 50 μL of a vehicle (1% DMSO) was added into a total binding tube (TB), 50 μL of DAMGO (with a final concentration of 1.0×10−5 M) was added into a non-specific binding tube (NB), and 50 μL of a test compound was added into each compound binding tube (CB).Step 2: 100 μL of a buffer (homogenate A) was added into each reaction tube.Step 3: the prepared membrane was suspended in the homogenate A to obtain a 10 mg/mL membrane suspension for later use.Step 4: 50 μL of radioligand [3H] DAMGO was added into each reaction tube to reach a final concentration of 2 nM.Step 5: 50 μL of the membrane solution was added into each reaction tube.Step 6: each reaction tube was incubated at 25° C. for 90 min. After the reaction was completed, the binding ligands were rapidly filtered under reduced pressure. The UniFilter GF/C plate was saturated with 0.5% PEI solution 1 h in advance, fully washed with cold Tris buffer, filtered under vacuum, then placed into a thermostatic dryer, and dried for 30 min. The filter plate was taken out, and MICROSCINT PS scintillation solution was added at 40 μL/well.Step 7: the scintillation vial was put into a liquid scintillation counter for counting.
13097	3	Competitive Delta Receptor Binding Assay	Step 1: 50 μL of a vehicle (1% DMSO) was added into a total binding tube (TB), 50 μL of DADLE (with a final concentration of 1.0×10−5 M) was added into a non-specific binding tube (NB), and 50 μL of a test compound was added into each compound binding tube (CB).Step 2: 100 μL of a buffer (homogenate A) was added into each reaction tube.Step 3: the prepared membrane was suspended in the homogenate A to obtain a 10 mg/mL membrane suspension for later use.Step 4: 50 μL of radioligand 3H-DADLE was added into each reaction tube to reach a final concentration of 4 nM.Step 5: 50 μL of the membrane solution was added into each reaction tube.Step 6: each reaction tube was incubated at 25° C. for 90 mp. After the reaction was completed, the binding ligands were rapidly filtered under reduced pressure. The UniFilter GF/C plate was saturated with 0.5% PEI solution 1 h in advance, fully washed with cold Tris buffer, filtered under vacuum, then placed into a thermostatic dryer, and dried for 30 min. The filter plate was taken out, and MICROSCINT PS scintillation solution was added at 40 μL/well.Step 7: the filter plate was put into a liquid scintillation counter for counting.
13098	1	Disrupting KRAS-PI3Kα Interaction by SPR Inhibition Assay	SPR binding experiments were collected on a Biacore 8K Instrument (Cytiva). Neutravidin (Pierce) was amine coupled to the carboxymethylated dextran surface of a CM5 sensor chip (Cytiva) using standard amine coupling chemistry. The CM5 chip surface was first activated with 0.1 M N-hydroxy succinimide and 0.4 M N-ethyl-N′-(3-dimethyl aminopropyl) carbodiimide at a flow rate of 20 μL/min using 20 mM HEPES pH 7.4, 150 mM NaCl as the running buffer. Next, neutravidin was diluted to 20 μg/mL in 10 mM sodium acetate (pH 4.5) and injected on all flow cells until a density of approximately 10,000 response units (RU) was immobilized. Activated amine groups were quenched with an injection of 1 M ethanolamine (pH 8.0). 300-500 RU of avi-tagged full length PI3Kα was captured on all flow cells in 20 mM HEPES pH 7.4, 150 mM NaCl, 5 mM MgCl2, 1 mM TCEP, 0.05% tween 20, 5% DMSO buffer. KRAS-Q25A at 20 μM was mixed with 8 concentrations of compound (50 nM-100 μM) and injected over the full-length PI3Kα at 30 μL/min and 25° C. Steady-state levels of KRAS binding were recorded and fit with a 4-parameter inhibition model to determine the IC50 values.
13099	1	Cbl-b and c-Cbl SPR Assay	Affinity of binding to Cbl-b and c-Cbl for compounds described herein can be assessed by surface plasmon resonance (SPR) according to the following protocol. All experiments were recorded on a Biacore™ 8K or Biacore™ 8K+(Cytiva) with both surface preparation and experimental measurements performed at 20° C. in an assay buffer consisting of 50 mM HEPES, pH 7.5, 0.15 M NaCl, 0.001% (v/v) Tween® 20, 0.2 mM tris(2-carboxyethyl)phosphine, 0.025% (w/v) carboxymethylated dextran (average MW 10 kDa), 0.2% (w/v) PEG 3350, and 2% DMSO.Human Cbl-b (residues 40-426) or c-Cbl (residues 47-435) were irreversibly captured to a Series S sensor chip SA (Cytiva 29104992) via an N-terminal avi-tag, biotinylated by co-expression in E. coli with BirA. A surface capture range of 1300-1500 RU of protein was used for both isoforms.For SPR measurements, 6 concentrations with 2 fold serial dilution were measured with blanks flanking each series for double referencing. Initial concentrations between 20 and 0.5 μM were used depending on the anticipated affinity of the tested compound. SPR sensorgrams were recorded in multi-cycle kinetics format, with a contact time of 60 seconds and a flow rate of 40 μl/min, the dissociation time was varied between 120-1200 seconds aiming for 4-5 half-lives of the measured interaction.
8002	1	SGLT2 Inhibition Assay	For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5&times;104 cells/well in RPMI medium 1640 containing 10% fetal bovine serum. The cells were used 1 day after plating. They were incubated in pretreatment buffer (10 mM HEPES, 5 mM Tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, and 1 mM MgCl2, pH 7.4) at 37 &deg;C. for 10 min. They were then incubated in uptake buffer (10 mM HEPES, 5 mM Tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mM 14C-nonlabeled AMG pH 7.4) containing 14C-labeled AMG (8 &mu;M) and the inventive compound or dimethyl sulfoxide (DMSO) vehicle at 37 &deg;C. for 2 h. Cells were washed twice with washing buffer (pretreatment buffer containing 10 mM AMG at room temperature) and then the radioactivity was measured using a liquid scintillation counter.
8002	2	SGLT1 Inhibition Assay	For sodium-dependent glucose transport assay, cells expressing hSGLT1 were seeded into a 96-well culture plate at a density of 5&times;104 cells/well in RPMI medium 1640 containing 10% fetal bovine serum. The cells were used 1 day after plating. They were incubated in pretreatment buffer (10 mM HEPES, 5 mM Tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, and 1 mM MgCl2, pH 7.4) at 37 &deg;C. for 10 min. They were then incubated in uptake buffer (10 mM HEPES, 5 mM Tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mM 14C-nonlabeled AMG pH 7.4) containing 14C-labeled (8 &mu;M) and inhibitor or dimethyl sulfoxide (DMSO) vehicle at 37 &deg;C. for 2 h. Cells were washed twice with washing buffer (pretreatment buffer containing 10 mM AMG at room temperature) and then the radioactivity was measured using a liquid scintillation counter.
8003	1	Radioligand Dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. 
8003	3	Radioligand Dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. 
8003	2	[35S]GTP&#947;S Functional Assay	[35S]GTP&#947;S functional assays were conducted using freshly thawed p-receptor membranes prepared in-house from a cell line expressing recombinant &#956; opioid receptor in a HEK-293, CHO or U-2 OS cell background, or purchased from a commercial source (Perkin Elmer, Shelton. Conn.; or DiscovRx, Fremont, Calif.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/MT), saponin (10 mg/ml), GDP (3 mM) and [35S]GTP&#947;S (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 &#956;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &#956;l of 20× concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25° C. with shaking. Reactions were terminated by rapid filtrati
8003	4	[35S]GTP&#947;S Functional Assay	Functional [35S]GTP&#947;S binding assays were conducted as follows. &#954; opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 &#956;g/&#956;l &#954; membrane protein (in-house), 10 &#956;g/mL saponin, 3 &#956;M GDP and 0.20 nM [35S]GTP&#947;S to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 &#956;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &#956;l of 20× concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25° C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 &#956;l ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50° C. for 2-3 hours.
8004	1	FLIPR (Fluorometric Imaging Plate Reader) Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 96-well fibronectin coated black-walled plates overnight at 37 &deg;C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37 &deg;C. Cells were washed 4 times (Original Cell Wash, Labsystems) to remove extracellular dye. Test compounds were reconstituted in 100% DMSO and added to the cells to give a final DMSO concentration of 0.1%. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 &mu;M) or at concentrations ranging from 0.01 to 10.0 &mu;M followed by VEGF stimulation (5 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 96 wells using a cooled CCD camera.
8004	2	Kinase Assay	Kinase assays were performed in 96 well microtiter plates that were coated overnight with 30 &mu;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.2-7.4. The plates were incubated with 1% BSA and then washed four times with PBS prior to starting the reaction. Reactions were carried out in 120 &mu;L reaction volumes containing 3.6 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 0.5 ng of purified protein. Following a ten minute incubation at 25 &deg;C., the reactions were washed four times with PBS containing 0.05% Tween-20. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate was diluted 1:10000 in PBS-Tween-20 and added to the wells for 30 minutes. Following four washes with PBS-Tween-20, 100 &mu;l of 0-phenylenediamine Dihydrochloride in Phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2 SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8004	3	FLIPR (Fluorometric Imaging Plate Reader) Technology Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of PDGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. NHDF-Ad (Normal human dermal fibroblasts) (Lonza) were seeded in 384-well fibronectin coated black-walled plates overnight at 37° C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37° C. Cells were washed 4 times (ELx405-CW, Bio-Tek) to remove extracellular dye. Test compounds were reconstituted in 100% DMSO and added to the cells to give a final DMSO concentration of 0.1%. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 &#956;M) or at concentrations ranging from 0.001 nM to 10 &#956;M followed by PDGF stimulation (10 ng/mL). Changes in fluorescence at 515 nm were measured simultaneously in all 384 wells using a cooled CCD camera.
8005	1	TR-FRET Assay	The peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6&times; Histidine-tagged BIR2 domain and BIR3 domain of XIAP against a set of 29 peptides synthesized based on sequences reported by Sweeny et al. (Biochemistry, 2006, 45, 14740 14748). The peptides were labeled with the fluorescent tags FITC or TAMRA and Kd values were determined by fluorescence polarization assay. The sequence AVPIAQKSEK was identified as optimal for using in an assay. The peptide sequence was derivatized with biotin to provide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA as the substrate for the TR-FRET assay. Ten nanomolar of 6&times; Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 mM incubation at 37 &deg;C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
8006	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &mu;L prepared from additions of His-BIR3 (241-356, XIAP), fluorescein labeled SMAC peptide, and test compounds in assay buffer consisting of 20 mM sodium phosphate, 1 mM EDTA, 50 mM NaCl, 50 &mu;g/ml BSA, and 0.05% PLURONIC&reg; F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &mu;l of mouse anti-6&times;His-terbium labeled Fab (Medarex, Cisbio) was added to the reaction (40 &mu;l) for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 1 nM N-His-BIR3(241-356, XIAP), 5 nM fluorescein labeled SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO.
8006	1	Fluorescence Polarization Assay (FPA)	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of N-His-Tb-BIR3(241-356, XIAP), fluoresceinated modified SMAC peptide, and test compounds in assay buffer consisting of 20 mM sodium phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes and fluorescence polarization of the reaction was detected on the LJL Plate Reader. Inhibition data were calculated from mP values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 130 nM N-His-Tb-BIR3(241-356, XIAP), 1.4 nM fluoresceinated modified SMAC peptide, and 1% DMSO.
8006	4	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &mu;L prepared from additions of His-BIR2-3 (125-356, C202A/C213G, XIAP), fluorescein labeled dimeric SMAC peptide, and test compounds in assay buffer consisting of 20 mM sodium phosphate, 1 mM EDTA, 50 mM NaCl, 50 &mu;g/ml BSA, and 0.05% PLURONIC&reg; F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &mu;l of mouse anti-6&times;His-Tb IgG (Medarex, Cisbio) was added to the reaction (40 &mu;l) for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 0.5 nM N-His-BIR2-3(125-356, C202A/C213G, XIAP), 20 nM fluorescein labeled dimeric SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO.
8006	3	AlphaScreen Assay	Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 &#956;L prepared from additions of His-BIR2 (124-240/C202A/C213G), Biotinylated SMAC peptide, and test compounds in assay buffer consisting of 25 mM Hepes, 100 mM NaCl, 0.1% BSA, and 5 mM CaCl2. The reaction was incubated at room temperature for 60 minutes. After 60 minutes, 2.5 &#956;L of Alphascreen detection reagent (Perkin Elmer) was added to the reaction mixture and incubated at room temperature in the dark for 120 minutes. The Alphascreen signal generated by the reaction was detected on the Envision Plate Reader Inhibition data were calculated from an Alphascreen signal generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 50 nM His-BIR2 (124-240/C202A/C213G), 50 nM. Biotinylated SMAC peptide, 4 &#956;g/mL Alphascreen detection reagents, and 0.5% DMSO.
8008	1	Affinity Assay	The GPIIb/IIIa receptor was immobilized 48 hours at least (100 &mu;L per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSorp&trade;, Nunc, Roskilde, Denmark) at 277 K to 280 K and at a concentration of 0.1 &mu;g per well to 1 &mu;g per well. As negative control one row of the plate (n=8) was incubated just with 2% bovine serum albumin (200 &mu;l per well, albumin from bovine serum&minus;lyophilized powder, &ge;96&deg; 0, Sigma, diluted in D-PBS(+)). After washing three times with the wash buffer (230 &mu;L per well, Dulbecco's Phosphate Buffered Saline (D-PBS (&minus;)) contains no calcium or magnesium, GIBCO&reg;, Invitrogen) residual exposed plastic and unspecific binding sites were blocked by incubating the plate with a special blocking solution (200 &mu;L per well, Roti&reg;-Block, Carl Roth GmbH Co KG, Karlsruhe) containing 2% bovine serum albumin (Albumin from bovine serum&minus;lyophilized powder &ge;96%, Sigma) 1 hour at room temperature. After washing three times with the wash buffer 50 &mu;L of tritiated reference compound (60 nM, 3H-labeled compound) and 50 &mu;L of novel compound (inhibitor, 19F) were simultaneously added to each well and incubated for 1 hour at room temperature. Several concentrations of each novel inhibitor (0.1, 1, 2, 5, 10, 20 50, 100, 200, 500, 1000, 2000, 5000, 10000 and 20000 nM) were investigated. At each concentration of inhibitor a fourfold determination was performed.
8009	1	Enzymatic Assay	JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'-LYTE&trade; Kinase Assay Kit-Tyr 3 Peptide (Invitrogen, Cat. No. PV3192). Recombinant human JAK1/2/3 or TYK2 catalytic domains are from Invitrogen (Cat No. PV4774/PV4210/PV3855/PV4790); All reactions (20 &mu;L) are started by adding 2.5 &mu;L of the testing compound in 4% DMSO solution, 5 &mu;L of Kinase/Peptide substrate Mixture (3.2, 0.04, 0.2 or 8 &mu;g/mL for Recombinant human JAK1/2/3 catalytic domains, 4 &mu;M for Z-LYTE&trade; Tyr 6 peptide or Z-LYTE&trade; Tyr 3 peptide) or Phospho-Peptide solution (Invitrogen, Cat. No. PV3192, diluted with 1.33&times; Kinase Buffer), 2.5 &mu;L ATP Solution (300/100/40/100M, JAK1/JAK2/JAK3/TYK2) or 1.33&times; Kinase Buffer (Invitrogen, Cat. No. PV3189, 5&times; diluted with distilled water). The 384-well assay plate (Corning, Cat. No. 3575) is mixed and incubated at room temperature for 1 hour. 5 &mu;L of the Development Solution (Dilute Development Reagent A (Cat. No. PV3297) is diluted to 1/64 with Development Buffer (Cat. No. PV3127) for JAK1, JAK2 and JAK3 assay; Development Reagent A (Cat. No. PV3297) is diluted to 1/2048 with Development Buffer (Cat. No. PV3127) for TYK2 assay. The diluted Development Solution is then added to each well, mixed and incubated at room temperature for another 1 hour. The kinase reaction is then stopped by adding 5 &mu;L of the Stop Reagent (Invitrogen, Cat. No. PV3094), and the plate is read with Wallac 1420 VICTOR3 Multilabel Counter (PerkinElmer&trade;) at 445 nm and 520 nm fluorescence. All compounds are initially tested at 8 different concentrations (1 &mu;M down to 0.0003 &mu;M) using a 1:3 serial dilution scheme.
8010	1	Radioactivity-Based Assay	In this assay [3H]AdoMet (PerkinElmer Life Sciences; catalog number NET155V250UC)was used as a methyl donor to methylate biotinylated histone peptide substrates. Reaction mixtures contained 10 &#956;M biotinylated peptide and 200 &#956;M AdoMet (4 &#956;M [3H]AdoMet plus 196 &#956;M cold AdoMet) in 10mM Tris-HCl buffer, pH 8.5, with 0.01%Triton X-100 and 10 mM DTT in a final volume of 20 &#956;l. The reaction was started by adding PRDM9(final concentration of 1 nM). Samples were incubated for 30 min at 23 &deg;C and the reaction was quenched by addition of 20 &#956;l of 7.5 M guanidinium hydrochloride followed by addition of 160 &#956;l of 20 mM Tris-HCl buffer, pH 8.0. Samples were added to wells of a streptavidin/scintillant-coated microplate (FlashPlate&reg; PLUS; Perkin-Elmer Life Sciences). Biotinylated peptides would be captured in each well through their interaction with streptavidin, thereby bringing any incorporated [3H]methyl in proximity of scintillant. The amount of methylated peptide was quantified by tracing the radioactivity (cpm) as measured by the TopCount NXTTM Microplate Scintillation and Luminescence Counter (PerkinElmer Life Sciences).
8011	1	Fluorescence Competition Assay	The method entails two steps [Lin et al., Biochemistry, 38:185-190]. In the first step, the Kd for association of FABP5 with the fluorescent lipid probe anilinonaphtalene-8-sulfonic acid (ANS) was measured by fluorescence titrations. Kd values for nonfluorescent ligands were then measured by monitoring their ability to compete with the probe for binding. FABP5 was precomplexed with ANS and titrated with ligands. Ligand binding was followed by monitoring the decrease in fluorescence upon displacement of the probe from the protein.
8012	1	Surface Plasmon Resonance (SPR) Assay	Surface plasmon resonance (SPR) assays were carried out on a BIAcore 3000 instrument (Biacore, Inc). Briefly, purified hTNF&#945; was dissolved at 320 &#956;g/ml in PBS, pH 7.0, and coupled to a carboxyl surface (HR-5 chip from HRBio, Inc.) by following the manufacturer&#39;s instructions. For the equilibrium-binding experiments, the flow rate was set to 10 &#956;l min^-1, and 50&#956;l of the compound sample was injected. For the kinetic experiments, the flow rate was also 10 &#956;l min^-1, and 50 &#956;l was injected for kinetic assay.
8013	1	Polarization Assay	eNOS was diluted to varying concentrations in buffer containing 50 mM inorganic phosphate, 50 mM KCl, and 5 mM DTT, pH 7.5. A spectrophotometer was used to determine the concentration of the fluorescein-labeled peptide using the extinction coefficient for fluorescein (&#949;492 nm = 79,000 M^-1). Peptides (100 nM) were added to samples containing varying concentrations of eNOS and incubated for 1 h at room temperature. Samples were then plated on 384-well Grenier Bio-One solid black microplates in triplicate. Polarization was measured with a Tecan Infinite M1000 Pro apparatus in fluorescent polarization mode using 470-nm excitation and 515-nm emission filters.
8014	1	LRRK2 Kinase Assay	The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (pH 7.4), 50 mM NaCl, 10 mM MgCl2, 1 mM DTT, 0.5 mg/ml of BSA, 1 mM &#946;-Gly-PO4, LRRKtide, ATP, and[&#947;-33P]ATP. The reactions were conducted in duplicate, initiated by the addition of 6 nM LRRK2, and incubated at room temperature for 150 min. The reactions were stopped by the addition of 20 mM EDTA and the mixture was transferred to a multiscreen PH filtration plate (Millipore, Billerica, MA) and washed six times with 75 mM H3PO4. The plate was dried, filters were removed, and the samples were counted with a scintillation counter. Background reactions were conducted in theabsence of LRRK2.
8015	1	IDH1 Biochemical Assay	The activity of IDH1 R132H and IDH1 R132C was measured in 384-well plates by coupling NADPH consumption to a diaphorase/resazurin-based detection system and measuring resorufin production (Ex544/Em590) as described previously. For testing the potency of small molecule inhibitors, an end point-coupled assay system was used, with 2-4 nM enzyme. In this assay, the reactions were run in the &#945;-KG to 2-HG direction with the concomitant oxidation of NADPH to NADP. For IDH1 R132H, a final concentration of 1 mM &#945;-KG and 4 &#956;M NADPH was used; for IDH1 R132C, a final concentration of 200 &#956;M &#945;-KG and 4 &#956;M NADPH was used. The NADPH remaining at the end of a 1-h incubation reaction was measured by the addition of 20 &#956;M resazurin and 10 &#956;g/ml diaphorase, which facilitated the stoichiometric conversion of resazurin to the highly fluorescent resorufin. To test the reversibility of the binding of compound to enzyme, 10&times; IC50 of the compound and 100&times; enzyme were incubated for 1 h, at which point the sample was diluted 100-fold and the enzyme reaction was run in kinetic mode monitoring the consumption of NADPH at 340 nm.
8016	1	Ligand Binding Assay	In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affinity(KD) was derived by monitoring maximal fluorescence intensity of a constant concentration of 500 nM 1,8-ANS with increasing protein concentrations ranging from 20 nM to 424 &#956;M. Blank measurements obtained from protein-only samples were subtracted at each protein concentration tested to obtain the final values. Competition assays were then performed in which the protein was held at a constant concentration of 500 nM (1 &#956;M for the FABP5NLSm palmitic acid competition), with 1,8-ANS also being held constant at either 5 &#956;M (for hFABP5WT and hFABP5DSm) or 10 &#956;M (for hFABP5NLSm) in the presence of increasing fatty acid concentrations from 10 nM to 200 &#956;M. Blanks consisting of 1,8-ANS and fatty acid in the absence of protein were subtracted at each ligand concentration tested. The resulting fluorescence values were used to calculate a Ki value for the fatty acid of interest. Data were collected at 30 &deg;C on a BioTek Synergy plate reader using an excitation filter of 380/20nm and an emission filter of 460/40nmand processed inGraphPad Prism 5.
8017	1	&#946;-Gal Inhibitory Assay	&#946;-Gal activity was measured by using 4-methylumbelliferyll-&#946;-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl) as a substrate, and incubating at 37 °C for 6 min. The reaction was terminated by adding 0.2 M glycine-NaOH buffer (pH 10.7). The liberated 4-methylumbelliferyll was measured with a fluorescence plate reader (excitation 355 nm; emission 460 nm; fluoroskan ascent, Thermo electron Corp.). For inhibition assays, the ligand compounds (galactose, 25 mM; DGJ, 250 &#956;M; NOEV, 2.5 &#956;M; 6S-NBI-DGJ, 250 &#956;M; 6S-NBI-GJ, 2.5 mM; and NBT-DGJ, 2.5mM) were added to the purified &#946;-Gal, and then the activityof &#946;-Gal was measured as described above.
8018	1	Fluorescence Polarization Assay	The fluorescence polarization assay was performed as previously described [Jenkins et al., ACS Chem. Biol., 7:1170-1177]. In 384-well black Costar plates, LpxA or His6-LpxD were serially diluted while holding the fluorescent peptide at 20 nM in a final volume of 50 &#956;l in 20mM HEPES pH 8.0 (0.01% DMSO). The wells were gently mixed and incubated at 30 °C in the dark for 15 min. Polarization was measured on a SpectraMax M5 plate reader in triplicate with readings taken at &#955;ex = 485 nm and &#955;em = 525 nm.
8019	1	Sterol-Binding Assay	Recombinant OSBP, ORP4L, or ORP4S (8 pmol) was incubated in 75 &mu;l of binding buffer (10 mM HEPES (pH 7.4), 150 mM KCl, 2% (w/v) polyvinyl alcohol) containing radioactive sterols (with or without a 40-fold excess of unlabeled sterol). After 2 h at 20 &deg;C, a 25-&mu;l slurry of Talon resin (1:1, v/v) was added and mixed for 10 min. Talon resin and bound protein were washed three times with 300 &mu;l of 10 mM HEPES (pH 7.4) and 150 mM KCl and sedimented by brief centrifugation. Bound proteins were eluted from the resin with 150 mM imidazole (pH 7.4), the resin was sedimented by centrifugation, and radioactivity bound to protein in the supernatant was measured by liquid scintillation counting.
8020	1	Calcium Mobilization Assay	Briefly, Chinese hamster ovary cells stably expressing the photoprotein aequorin were transiently transfected with WT or respective mutant PKR2-expressing plasmids. Two days after transfection, the cells were charged in Opti-MEM (Invitrogen) containing 8 &#956;M coelenterazine cp (Invitrogen) at 37 &deg;C for 2 h. Cells were detached by brief trypsinization and maintained in assay buffer (Hanks' balanced salt solution plus 10 mM HEPES, pH 7.5, and 0.1% bovine serum albumin) at approximately 5 &times; 10^5 cells/ml. Luminescence measurements were made using a Sirius Single Tube Luminometer (Berthold Detection Systems GmbH, Pforzheim, Germany). PK2 was serially diluted in assay buffer and mixed with cells. The luminescence was monitored for 35 s (peak 1), then 100 &#956;l of 1% Triton X-100 was injected to lyse the cells, and the luminescence was monitored continuously for another 20 s (peak 2). The area under the curve of the peak 1 was divided by the total area under the curve of peaks 1 and 2, and the maximal responses from WT receptors were normalized to 100.
8021	1	Fluorimetric Assay	Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purchased separately). This assay system allows detection of a fluorescent signal upon SIRT6 deacetylation of the fluorescent substrate peptide (AMC-p53) with amino acids 379-382 (Arg-His-Lys-LysAc). Sirtuin deacetylation of the substrate renders the fluorophore-substrate bond susceptible to treatment with lysyl endopeptidase. Trypsin cleavage releases the fluorophore, resulting in an increase in fluorescence. Fluorescence intensity was measured on a Synergy HT Multi-Mode microplate fluorescence reader.
8022	1	In Silico Screening	In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and Glide docking, essentially as previously described.[Lindert et al., Chem. Biol. Drug Des., 81:742-748]
8023	1	SPR Assay	The anti-His antibody (His Capture Kit, GE Healthcare) was immobilized on sensor chip CM5 (GE Healthcare), in a Biacore T200 or Biacore S200 instrument, to &#8764;10000 resonance units (RU) using a standard amine coupling procedure (Amine Coupling Kit, GE Healthcare). His-tagged aldose reductase (ALR2), at a concentration of 100 &#956;g/mL, was captured on the anti-His antibody using dual injection consisting of a 3 min injection of protein followed by a 100 s activation with a mixture (1:1) of 0.2 M N-ethyl-N-(dimethylamino)propylcarbodiimide (EDC) and 50 mM N-hydroxysuccinimide (NHS), and final blocking with an injection of 1.0 Methanolamine (pH 8.5) for 100 s. Activation with EDC and NHS and blocking with ethanolamine stabilized the ALR2 capture and allowed the use of a single surface for the analysis of a number of compounds with no need for regeneration. The ALR2 capture level was &#8764;1000 RU, and all injections were performed at a flow rate of 10 &#956;L/min. For the interaction analysis, the compound concentrations ranged from 3 to 10000 nM with a 5-fold dilution step, using a single-cycle kinetic approach with three or five concentrations or injections per cycle.
8024	1	Isothermal Titration Calorimetry (ITC)	An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glycerol (to match the 10% v/v glycerol content in the EthR stock solution). A separate aqueous solution of EthR (50 &#956;M) containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0) and DMSO-d6 (10% v/v) was prepared and placed in the sample cell of a MicroCal iTC200 microcalorimeter (GE Healthcare). The fragment solution was then titrated to the EthR solution over 19 or 39 injections (first injection of 0.4 &#956;l and subsequent injections of 2.0 &#956;L or 1.0 &#956;L).
8025	1	RNAP-Inhibition Assay	Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and the profluorescent ATP analog &#947;-[2&#8242;-(2-benzothiazoyl)-6&#8242;-hydroxybenzothiazole]-ATP(BBT-ATP, Jena Biosciences) as a substrate (methods as in ref 32). Fluorescence-detected RNAP inhibition assays in Figure 2C were performed essentially as described in refs 33 and 34. The assay used a proprietary circular single-stranded DNA as a template (Kool NC-45 Universal RNAP Template, Epicenter). The synthesized RNA was quantified using RiboGreen (ThermoFisher), which exhibits fluorescence enhancement upon binding to RNA. A volume of 0.2 &#956;L of MRL-436 or Rif [10 concentrations from a 3-fold serial dilution in 100% DMSO (v/v)] was loaded into a 384-well plate using an Echo liquid handler (Labcyte). A total of 5 &#956;L of 20 nM recombinant RNAP in assay buffer [50 mM HEPES (pH = 8.0), 50 mM KCl, 4 mM MgCl2, 5% glycerol (v/v), 1 mM DTT, 0.1 mg mL&#8722;1 BSA, and 0.01% Triton X-100 (v/v)] was then added. After a 30 min incubation at RT, 5 &#956;L of assay buffer solution containing 0.04 ng/&#956;L DNA template and rNTPs (ATP, CTP, GTP, UTP; 600 &#956;M each; Lucigen) was added to start the reaction. After incubation for 2 h at 37 &deg;C, 70 &#956;L of Quant-iT RiboGreen RNA Reagent [1:350 dilution in buffer containing 10 mM Tris-HCl (pH = 7.5) and 1 mM EDTA] was added to stop the reaction and develop the signal. The plate was read using a PheraStar Plus plate reader (BMG).
8026	1	Fluorescent Polarization Competition Assay	Competition assays were performed in FP buffer (DTT was avoided for Cys-PTHRct-9) containing fixed concentrations of both the fluorescently labeled peptide andprotein following the protocol described by Madden and coworkers. [Cushing et al., Biochemistry, 47:10084-10098] This mixture was equilibrated for 20 min in the dark at room temperature. The unlabeled competitor peptide was dissolved and serially diluted in storage buffer supplemented with 5% DMSO (Sigma). Each serial dilution was aliquoted at 1/10 final volume, to which was added 9/10 volume of the protein/peptide mixture. All FP assays were performed in a 96-well format. Polarized fluorescence intensities were measured at 23 °C with a PerkinElmer Wallac Victor3 multilabel counter using excitation and emission wavelengths of 485 and 535 nm, respectively, for the FITC-labeled peptide.
8026	3	Isothermal Titration Calorimetry (ITC)	ITC measurements were conducted on a Microcal iTC200 (Malvern Instruments) in buffer consisting of 25 mM Tris (pH 8.0) and 100 mM NaCl. Proteins were exchanged into ITC buffer by gel filtration using a Superdex200 column. Wild-type modified synthetic peptides were purchased from Genscript and are described in Results. One millimolar PTHR peptides (wild-type and mutant variants) were titrated into 100 &mu;M individual proteins, PDZ1 or PDZ2, at 25 &deg;C.
8026	2	Surface Plasmon Resonance (SPR)	SPR measurements were performed with a Biacore X100 instrument (GE Healthcare Life Sciences, Piscataway, NJ) at 15.0 &deg;C. The biotinylated PTHRct-22 ligand was immobilized on an SA streptavidin sensor chip (GE Healthcare Life Sciences) usingthe manufacturer's protocol until the desired response target was reached. PDZ1 or PDZ2 analyte, dissolved in 10 mM HEPES buffer (pH 7.4), 150 mM NaCl, 3 mM EDTA, and 0.005% surfactant polysorbate 20, was injected on the PTHRct-coated sensor surface at increasing concentrations from 10 nM to 100 &mu;M. At the end of each ligand injection&minus;dissociation cycle, the sensor chip was regenerated with 4.0 M MgCl2, 50 mM triethylamine (pH 9.15), and HBS-EP buffer.
7997	1	[3H]-NMS Binding Assay	The binding of [3H]-NMS to human muscarinic receptors was performed according to Waelbroek et al (1990) (1). Assays were carried out at 25° C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the human muscarinic receptors Hm3 were used.
7996	1	HTRF Biochemical Assay	The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 uL of 1.11x enzyme and 1.11x substrate in 1x assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 uL of 10xATP in 1x assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 uL of 2x stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. 
7998	1	Reporter Assay	HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b viral replication. HUH-7 cells, constitutively expressing the HCV replicon, were grown in Dulbecco&#39;s Modified Eagle Media (DMEM) (Gibco-BRL) containing 10% Fetal calf serum (FCS) (Sigma) and 1 mg/mL G418 (Gibco-BRL). Compounds were serially diluted 3 folds in DMSO for a twenty-point titration and subsequently transferred to sterile 384-well tissue-culture treated plates (Corning cat #3571). The plates were then seeded with 50 uL of cells at a density of 3.0x10^3 cells/well in DMEM containing 4% FCS (final DMSO concentration at 0.5%). After 3 days incubation at 37  C., cells were analyzed for Renilla Luciferase activity using the EnduRen as substrate (Promega cat #E6485). The EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 uM. The plates were incubated for 2 hrs at 37  C. and then read 
8000	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10xHBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps). At the start of the assay, the media was flicked from the cells and the wells were washed once with 50 ul/well assay buffer (1x Hank&#39;s balanced salt solution without sodium bicarbonate or phenol red, 20 mM Hepes, pH 7.3) and then pre-incubated with the test articles, CoroNa Green AM sodium dye (for cell loading) and KCl for re
8001	1	Coupled Enzymatic Assay	The assay is carried out according to the protocol outlined in Hariharan et al (1997), Diabetes 46: 11-16. Briefly, the test compounds are incubated in a reaction mix containing 25 mM HEPES (pH 7.2), 10 mM MgCl2, 100 mM KCl, 5 mM ATP, 2 mM DTT, 0.5 mM NAD, 1 U/mL Leuconostoc mesenteroides G6PD, 0.3 U/mL of purified human recombinant GK, and different concentrations of glucose. Enzymatic activity is calculated from the initial reaction velocity, measured from the change in NADH absorbance as a function of time.
8029	1	Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &mu;M), ATP (20 &mu;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &mu;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &mu;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP&reg; 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product.
8029	2	Jak2 Tyrosine Kinase Assay	The assays were performed in V-bottom 384-well plates. The final assay volume was 30 &mu;l prepared from 15 &mu;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerolphosphate, 0.015% Brij 35 surfactant and 4 mM DTT). The reaction was initiated by the combination of Jak2 tyrosine kinase with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 minutes and terminated by adding 45 &mu;L of 35 mM EDTA to each sample.
8030	1	CYP17-Lyase Assay	Assay method was adopted from a published protocol with some modifications to suit our requirements (Dmitry N Grigoryev et al, Analytical Biochemistry, (1999) 267, 319-330). The conversion of 17-&alpha;-hydroxy pregnenolone to Dehydroepiandrosterone is accompanied by the release of acetic acid. In the Cyp17 lyase assay, 17-&alpha;-hydroxy pregnenolone labeled with tritium (3H) at position 21 is used as the substrate. Chloroform extraction removes the radioactive steroids and acetic acid is taken into aqueous layer. The tritiated acetic acid released in the assay thus extracted is quantified to determine the enzyme activity. Initial buffer conditions were, 50 mM Phosphate buffer, pH 7.5 was used as the starting buffer for Cyp17 lyase activity based on the data published in US patent publication No. US2004/0198773 A1. This buffer was found to be suitable for regular Cyp17 lyase assay. Human Cyp 17 gene was cloned and expressed in Adenoviral expression system in A549 cell lines. The purified cell membrane preparations were used as the source for Human CYP17 enzyme. Total protein concentration: 8 mg/mL. To identify the appropriate concentration of the enzyme required for the assay, concentration dependent enzyme activity was determined at a substrate (17-&alpha;-hydroxypregnenolone[21-3H]) concentration of 0.5 &mu;M (Vincent C. O. Nijar, et al., J Med Chem, (1998) 41, 902-912). The protein activity was found to be in the linear range up to 20 &mu;g, the highest concentration tested. Based on the enzyme concentration curve and stock concentration, 15 &mu;g was selected for the assay.
8031	1	Inhibition Assay	Test Example 1: (1) The TRPV4 inhibitory activity was measured using CHO-K1 cells stably expressing human TRPV4 (hTRPV4/CHO cells). (2) In the day before the experimental day, frozen cell were thawed and washed with the culture medium (MEM-&alpha;, 10% FBS, 2 mmol/L GlutaMax, 50 unit Penicillin, 50 &mu;g/mL Streptomycin). Then cells were suspended in the culture medium. (3) The 384-well plates which hTRPV4/CHO cells were seeded at densities of 4000 cells/well in the culture medium and cultured in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for overnight was used as assay plates. (4) The assay plate was washed with assay buffer (Hanks, 20 mmol/L HEPES, 2.5 mmol/L probenecid, pH7.4), and the buffer were remained at 20 &mu;L/well. (5) 10 &mu;l of dye loading buffer (9 &mu;mol/L Fluo 4-AM, 0.09% Pluronic F-127/assay buffer) was added to each well, then the assay plate was incubated in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for one hour. (final 3 &mu;mol/L Fluo4-AM). (6) The assay plate was washed with the assay buffer, and the buffers were remained at 20 &mu;L/well. Then the assay plate was incubated for 10 min at room temperature. (7) Diluted compound solution was dispensed to each well in the compound plate, and mixed with built-in Pipette and Mixer of the Fluorescence analysis system FLIPR TETRA (Molecular devices). (8) After incubation for 5 min, 20 &mu;L of 4&alpha;-PDD solution were applied to each well of assay plate and mixed with the FLIPR TETRA. (final 1 mol/L 4&alpha;-PDD). (9) The fluorescent intensity was measured with FLIPR TETRA system for 10 min from the point of time addition the compound solution, at Ex 470-495 nm, Em 515-575 nm wavelength.
8031	2	Inhibition Assay	Test Example 2: (1) The TRPV4 inhibitory activity was measured using CHO-K1 cells stably expressing human TRPV4 (hTRPV4/CHO cells). (2) In the day before the experimental day, frozen cell were thawed and washed with the culture medium (MEM-&alpha;, 10% FBS, 4 mmol/L L-Glutamine, 50 unit Penicillin, 50 &mu;g/mL Streptomycin). Then cells were suspended in the culture medium. (3) The 384-well plates which hTRPV4/CHO cells were seeded at densities of 4000 cells/well in the culture medium and cultured in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for overnight was used as assay plates. (4) The assay plate was washed with assay buffer (Hanks, 20 mmol/L HEPES, 2.5 mmol/L probenecid, pH7.4), and the buffer were remained at 20 &mu;L/well. (5) 10 &mu;l of dye loading buffer (9 &mu;mol/L Fluo 3-AM, 0.09% Pluronic F-127, 1% BSA/assay buffer), was added to each well, then the assay plate was incubated in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for one hour. (final 3 &mu;mol/L Fluo3-AM). (6) The assay plate was washed with the assay buffer, and the buffers were remained at 20 &mu;L/well. Then the assay plate was incubated for 10 min at room temperature. (7) Diluted compound solution was dispensed to each well in the compound plate, and mixed with built-in Pipette and Mixer of the Fluorescence analysis system FLIPR 384 (Molecular devices). (8) After incubation for 4 min, 25 &mu;L of 4&alpha;-PDD solution were applied to each well of assay plate and mixed with the FLIPR TETRA. (final 600 nmol/L 4&alpha;-PDD). (9) The fluorescent intensity was measured with FLIPR TETRA system for 7 min from the point of time addition the compound solution, at Ex 488 nm, Em 510-570 nm wavelength.
8031	3	Inhibition Assay	Test Example 3: (1) The TRPV4 inhibitory activity was measured using CHO-K1 cells stably expressing human TRPV4 (hTRPV4/CHO cells). (2) Frozen cells were thawed and subcultured with the medium (MEM-&alpha;, 10% FBS, 200 mmol/L Glutamine, 50 unit/mL penicillin, 50 &mu;g/mL streptomycin, 1 mg/mL G418). (3) The 96-well plates which hTRPV4/CHO cells were seeded at densities of 2&times;10^4 cells/well in the culture medium and cultured in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for 24 h was used as assay plates. (4) The assay plate was washed with assay buffer (Hanks, 1 mol/L HEPES, 250 mmol/L probenecid, pH7.4). (5) Fluo-3, fluorescent dye for Ca influx assay was added to each well, then the assay plate was incubated in a CO2 incubator in the presence of 5% CO2 at 37&deg; C. for one hour (final conc.; 5 &mu;mmol/L Fluo-3). (6) The assay plate was washed with the assay buffer, and the buffer was remained at 30 &mu;L/well. Then the assay plate was incubated for 10 min at 37&deg; C. (7) Diluted compound solution was dispensed to each well in the compound plate, and mixed with built-in Pipette and Mixer of the fluorescence analysis system FDSS 3000 (Hamamatsu Photonics). (8) 50 &mu;L of 4&alpha;-PDD solution (concluding 0.1% Pluronic F-127) was applied to each well of assay plate and mixed. (9) The fluorescent intensity was measured by FDSS 3000 for 8 min from the point of time addition the compound solution, at Ex 480 nm, Em 540 nm wavelength.
8032	1	Human Neutrophil Elastase Assay	Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &mu;L of these compound dilutions were mixed with 10 &mu;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 L substrate solution in assay buffer were added (250 &mu;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
8033	1	Spectrophotometric 384 Well Assay	Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/ml BSA, 3.75 mM reduced L-glutathione, 15 U/ml lactate dehydrogenase, 0.5 mM phosphoenolpyruvate, 15 U/ml pyruvate kinase, compounds at different concentrations at final DMSO concentrations of 1%.The enzymatic reaction is then started by addition of a mixture of NADH, acetyl Coenzyme A (both 2000 f.c.) and ATP (500 uM f.c.). The decrease of the optical density (slope S) is then determined at 25° C. at a wavelength of 340 nm over 15 minutes in a spectrophotometric reader.Each assay microtiter plate contains wells with vehicle instead of compound as controls for the non-inhibited enzyme (100% CTL; HIGH) and wells without acetyl-CoA as controls for non-specific NADH degradation (0% CTL; LOW).
8034	1	Radioligand Binding Assay	Assessments of compound binding to human MC5R (hMC5R)) by displacement of an 125I-labeled NDP-MSH receptor ligand peptide were performed essentially as described in the data sheets produced by Perkin Elmer to accompany their frozen hMC5R membranes (Perkin Elmer catalog number RBXMC5M400UA). [125I] NDP-MSH: Radiolabeled in House and Purified by HPLC: Na125I (0.5 mCi, 17.4 Ci/mg) was added to 50 &mu;L sodium phosphate (50 mM, pH 7.4) in an eppendorf tube precoated with IODOGEN. After incubation for 10 mins the phosphate buffer containing the iodine was added to NDP-MSH (10 &mu;l at 1 mg/mL) in a separate eppendorf tube. This was incubated for a further 10 mins. The iodinated NDP-MSH was purified by HPLC on a Zorbax SB 300 column using solvent A: 0.05% TFA and solvent B: 90% acetonitrile 0.045% TFA with a linear gradient, 0-67% B over 60 mins. The 125I NDP-MSH eluted at 52 mins after the unlabeled starting material (48 min) and was counted and stored in the freezer. It was used within 48 hrs, as radioactive decay and ligand decomposition resulted in greatly reduced specific binding observed after 72 hrs. Incubation buffer: 25 mM HEPES-KOH (pH 7.0), 1.5 mM CaCl2, 1 mM MgSO4, 0.1 M NaCl, 1 mM 1,10-phenanthroline, and 1 Complete&trade; protease inhibitor tablet/100 mL (Roche, catalog number 1873580). Perkin Elmer frozen hMC5 membranes: catalog number RBXMC5M400UA, 0.4 mL/vial; 400 microassays/vial, 0.78 mg/mL protein concentration. Vials of frozen membranes were thawed rapidly immediately before use, diluted with binding buffer and vortexed. Resuspended membranes were kept on ice until they were added to the wells of the plate. Assays were performed in 96 well polypropylene plates. Membranes (0.78 &mu;g 40 &mu;L of a 1:40 dilution in incubation buffer) were added to [125I] NDP-MSH (0.84 nM; 2200 Ci/mmol) and test compounds in a total volume of 140 &mu;L. This was incubated for 1 hr at 37&deg; C. Non-specific binding was determined with 3 mM NDP-MSH. Plates were filtered using a Tomtec cell harvester with GF/A filters (Wallac) (presoaked in 0.6% polyethylenimine) and washed three times with 1.0 mL ice-cold wash buffer (the above incubation buffer without 1,10-phenanthroline and Complete&trade; protease inhibitor tablet). The filters were dried in a 37&deg; C. oven, placed in a sample bag and 5 mL Betaplatescint (Wallac) was added. Prepared filters were counted in cassettes in a Microbeta Trilux (Wallac) for 1 min.
8034	2	Radioligand Binding Assay	Radioligand binding and cAMP assays were also conducted using membranes and cells expressing MC5R cloned from other species (mouse MC5R membranes were obtained from Euroscreen; canine, rhesus monkey, cyno monkey and guinea pig MC5 receptors were cloned and expressed from cDNA libraries and transiently transfected as described in Examples 107 and 109. Plasma membranes from the cells were tested in the radioligand assay as in Example 102.
8034	3	Radioligand Binding Assay	Radioligand binding assays were carried out using commercial or in-house prepared hMC1R, hMC3R and hMC4R membranes and [125I] NDP-MSH, as per the hMC5R procedure in Example 102. In-house plasma membranes were prepared from transfected mammalian cells (prepared as in Example 109, using plasmid DNA containing the human MC1R, MC3R or MC4R gene or other gene of interest in a plasmid vector with a mammalian origin of replication): Adherent cells were washed with warm Hanks buffered saline solution (HBSS). 1 mL of cold HBSS was added to each flask and the cells were scraped off with a rubber policeman. The scraped cells were added to a 50 mL tube on ice. The plates were then rinsed twice with 5 mL cold HBSS and this was also added to the tube. The cells were centrifuged at 1000&times;g for 5 mins in a bench top centrifuge and the supernatant was decanted. The remaining cell pellet was resuspended in 0.25 M sucrose. The cell suspension was centrifuged again as previously and the pellet resuspended in 5 mL of 0.25 M sucrose containing protease inhibitors. The cells were homogenised by a 10 second pulse with an Ika disperser followed by 30 seconds on ice. The homogenisation and ice incubation was repeated three times. The mixture was then centrifuged at 1260&times;g for 5 mins. The supernatant was decanted into another centrifuge tube, to which a buffer containing 50 mM Tris, pH 7.4, 12.5 mM MgCl2, 5 mM EGTA and protease inhibitors was added to make the volume up to 30 mL. This was centrifuged at 30,000&times;g for 90 mins at 4&deg; C. The resulting pellet was resuspended in 1 mL of the buffer above also containing 10% glycerol. Membranes were aliquoted into cryovials which were snap-frozen in a dry-ice/ethanol bath before being stored at &minus;80&deg; C. until required for use.
8035	1	High Throughput Thrombin Receptor Radioligand Binding Assay	Thrombin receptor antagonists were screened using a modification of the thrombin receptor radioligand binding assay of Ahn et al. (Ahn et al., Mol. Pharmacol., 51:350-356 (1997)). The assay was performed in 96 well Nunc plates (Cat. No. 269620) at a final assay volume of 200 &#956;l. Platelet membranes and [3H]haTRAP were diluted to 0.4 mg/ml and 22.2 nM, respectively, in binding buffer (50 mM Tris-HCl, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.1% BSA). Stock solutions (10 mM in 100% DMSO) of test compounds were further diluted in 100% DMSO. Unless otherwise indicated, 10 &#956;l of diluted compound solutions and 90 &#956;L of radioligand (a final concentration of 10 nM in 5% DMSO) were added to each well, and the reaction was started by the addition of 100 &#956;l of membranes (40 &#956;g protein/well).
8035	2	FLIPR Assay	HEK 293 Cells were grown in media containing DMEM, 10% FBS pen/strep/L-Glutamine and non-essential amino acids. The cells were plated in 384-well PDL coated plates at 12000 cells/well and incubated overnight at 37° C./5% CO2. Media was then removed from the cells, which were then incubated with buffer (Hank&#39;s containing HEPES and Chaps) containing FLIPR calcium-5 dye, made with buffer containing probenecid, for 60 minutes at 37° C. Varying concentrations of compound in a final concentration of 5% DMSO were then added to the cells and incubated at 25° C. for 30 minutes. The plates were then added to the FLIPR Tetra and the device added a concentration of a PAR1 selective receptor-activating peptide with the sequence Ala-parafluoroPhe-Arg-Cha-Cit-Try-Nh2 (prepared in water) at a concentration equal to the effective concentration that achieves 80% activation of signaling on the day of the experiment. 
8036	1	Radiometric Filter-Binding Assay	The assay was performed by mixing 10 &mu;L of the compound pre-diluted with 10 &mu;L of ATP (20 &mu;M ATP with 0.1 &mu;Ci [&gamma;-33P]-ATP) with the phospho-acceptor peptide poly[Ala6Glu2LysHBr5Tyr1]=polyAEKY) in 20 mM Tris/HCl pH 7.5, 1 mM DTT, 10 mM MgCl2, 0.01 mM Na3VO4, 50 mM NaCl. 10 &mu;L of enzyme (ranging between 5 nM to 20 nM) was added to initiate the reaction. Pre-incubation of enzyme with compounds (when stated) was performed by exposing the enzyme to compounds prior to addition of the substrate mixture (ATP and/or peptide substrate). After 15 min at room temperature, the reaction was stopped by the addition of 50 &mu;L 125 mM EDTA, and the peptide-bound 33P separated on filter-plates (PVDF or MAIP; Millipore, Volketswil, Switzerland) prepared according to the manufacturer's instructions. Filter-plates were washed 3&times; with 0.5% H3PO4, followed by addition of 30 &mu;L scintillation cocktail (Microscint, Perkin Elmer) per well and then analysed in a TopCount NXT scintillation counter (Perkin Elmer).
8036	2	Caliper Assay	The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &mu;L per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 4 &mu;M ATP, 4 &mu;M peptide (FITC-Ahx-EAIYAAPFAKKK-NH2)) and 4.5 &mu;L per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &mu;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 3.5 nM ABL (ABL(64-515), produced in-house from E. coli)). Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 &mu;L per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology. Briefly, samples from terminated kinase reactions were applied to the chip. Analytes are transported through the chip by constant buffer flow and the migration of the substrate peptide is monitored by the fluorescence signal of its label. Phosphorylated peptide (product) and unphosphorylated peptide (substrate) are separated in an electric field by their charge/mass ratio.
8037	1	Intracellular Calcium Assay	Cells expressing recombinant human ALX receptor and the G-protein G&#945;16 (HEK293-hALXR-G&#945;16) were grown to 80% confluency in Growing Medium (GM). Cells were detached from culture dishes with a cell dissociation buffer (Invitrogen, 13151-014), and collected by centrifugation at 1,000 rpm at rt for 5 min in Assay Buffer (AB) (equal parts of Hank&#39;s BSS (Gibco, 14065-049) and DMEM without Phenol Red (Gibco, 11880-028)). After 60 min incubation at 37° C. under 5% CO2 in AB supplemented with 1 &#956;M Fluo-4 (AM) (Invitrogen, F14202) and 20 mM HEPES (Gibco, 15630-056), the cells were washed and resuspended in AB. They were then seeded onto 384-well FLIPR assay plates (Greiner, 781091) at 50,000 cells in 70 &#956;l per well and sedimented by centrifugation at 1,000 rpm for 1 min. Stock solutions of test compounds were made up at a concentration of 10 mM in DMSO, and serially diluted in AB to concentrations required for activation dose response curves.
8038	1	BACE1 Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]&minus;N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N&minus;((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 &mu;g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 &mu;l. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 &mu;M (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively.
8039	1	125I-Leuprorelin Binding Assay	The monkey and human membrane fractions prepared were diluted with the assay buffer to yield a 200 g/ml dilution, each of which was then dispensed at 188 &#956;l per tube. To a tube containing the cell membrane fraction of the CHO with monkey GnRH receptors expressed were added 2 &#956;l of a solution of 20 mM compound in 60% DMSO and 10 &#956;l of 38 nM 125I-leuprorelin. To a tube containing the cell membrane fraction of the CHO with human GnRH receptors expressed were added 2 &#956;l of a solution of 2 mM compound in 60% DMSO and 10 &#956;l of 38 nM 125I-leuprorelin. To determine maximum binding quantity, a reaction mixture containing 2 &#956;l of 60% DMSO and 10 &#956;l of 38 nM 125I-leuprorelin was prepared. To determine non-specific binding amount, a reaction mixture containing 2 &#956;l of a solution of 100 &#956;M leuprorelin in 60% DMSO and 10 &#956;l of 38 nM 125I-leuprorelin was prepared.
8040	1	Kinase-Glo Plus Luminescence Kinase Assay	Method B conducts the kinase assay with the following condition and procedure: The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). It measures kinase activity by quantitating the amount of ATP remaining in solution following a kinase reaction. The luminescent signal from the assay is correlated with the amount of ATP present and is inversely correlated with the amount of kinase activity. The compounds were diluted in 10% DMSO and 5 &mu;l of the dilution was added to a 50 &mu;l reaction so that the final concentration of DMSO is 1% in all of reactions. All of the enzymatic reactions were conducted at 30&deg; C. for 40 minutes. The 50 &mu;l reaction mixture contains 40 mM Tris, pH 7.4, 10 mM MgCl2, 0.1 mg/ml BSA, 1 mM DTT, 0.2 mg/ml substrate peptide, 10 &mu;M ATP and BTK. After the enzymatic reaction, 50 &mu;l of Kinase-Glo Plus Luminescence kinase assay solution (Promega) was added to each reaction and incubate the plate for 5 minutes at room temperature. Luminescence signal was measured using a BioTek Synergy 2 microplate reader. Btk activity assays were performed in duplicate at each concentration.
8028	1	Kinase Assay	The enzyme reaction (total volume 10 &#956;l) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2](5 &#956;M), ATP (10 &#956;M), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 &#956;M in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 &#956;M MgCl2, 1 &#956;M DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 &#956;l) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences).
8041	1	Tankyrase Biochemical Assays	The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% Tween-20, 0.05% BSA, and 1 mM DTT) as follows: 0.25 nM of 6&times;HIS-tankyrase 1 (1091-1325) was incubated in the presence of compound (DMSO 1.85% final) in a Perkin Elmer 384 well Proxiplate Plus&trade; (cat. no. 6008289) with 400 nM of NAD for 60 minutes at room temperature. The assay was then stopped with the above assay buffer containing a 0.6 M inhibitor and the following detection components: 0.05 g/mL monoclonal anti-PAR antibody (Trevigen cat. no. 4335-MC-01K-AC) prebound for 60 minutes with 0.63 &mu;g/mL protein G AlphaLisa&reg; acceptor bead (Perkin Elmer cat. no. AL102M) and 5 &mu;g/mL AlphaLisa&reg; nickel chelate donor bead (Perkin Elmer cat. no. AS101M). The assay was incubated for 16 hours at room temperature in the dark and read on a Perkin Elmer Envision&reg; multi label reader using the default program set with laser excitation at 680 nM and emission at 615 nM. The tankyrase 2 biochemical assay was performed using the procedure set forth above with respect to tankyrase 1 except that 4 nM 6&times;HIS-tankyrase 2 (946-1162) and 250 nM NAD were used.
8042	1	Enzyme Kinetic Assay	PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 mg/mL BSA) at 25° C. The assays were performed in 96-well plates. Normally, to determine the IC50 values, the reaction was initiated by the addition of enzyme (final concentration at 10 nM) to a reaction mixture (0.2 mL) containing 2 mM (Km for the substrate) pNPP with various concentrations of inhibitors. The reaction rate was measured using a SpectraMax Plus 384 Microplate Spectrophotometer (Molecular Devices). To determine the mode of inhibition, the reactions were initiated by the addition of PTP-MEG2 to the reaction mixtures (0.2 mL) containing various concentrations of pNPP with different concentrations of the inhibitor 7. 
8044	1	ThermoFluor&reg; Assay	ThermoFluor&reg; experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &mu;L, Fluka, type DC 200) to prevent evaporation. Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1&deg; C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500&plusmn;25 nm, resulting in simultaneous and independent readings of all 384 wells. Reference wells contained ROR&gamma;t without compounds, and the assay conditions were as follows: 0.065 mg/mL ROR&gamma;t, 60 &mu;M 1,8-ANS, 100 mM Hepes, pH 7.0, 10 mM NaCl, 2.5 mM GSH, 0.002% Tween-20.
8044	2	Reporter Assay	The reporter assay was performed by transiently transfecting HEK293T cells with 5 &#956;g of pBIND-ROR&#947;t LBD or pBIND-ROR&#947;t LBD-AF2 and 5 &#956;g pGL4.31 (Promega Cat no. C935A) using Fugene 6 (Invitrogen Cat no. E2691) at a 1:6 ratio of DNA:Fugene 6 in a T-75 flask in which cells were at least 80% confluent. Twenty four hours after bulk transfection, cells were plated into 96-well plates at 50,000 cells/well in phenol-red free DMEM containing 5% Lipid Reduced FCS and Pen/Strep. Six hours after plating, cells were treated with compounds for 24 hours. Media was removed and cells were lysed with 50 &#956;L 1× Glo Lysis Buffer (Promega). Dual Glo Luciferase Reagent (50 &#956;L/well) was then added and firefly luciferase luminescence was read on an Envision after a ten minute incubation. Finally, Stop and Glo reagent (50 &#956;L/well) was added and renilla luciferase luminescence was read on an Envision after a ten minute incubation. 
8045	1	Kinase Assay	For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring to the method described in JP-A-2008-81492. As the first step of measuring the inhibitory activity of the compound, the test compound was serially diluted with dimethyl sulfoxide (DMSO). Subsequently, purified human aurora A protein, FL-Peptide 21 (Caliper Life Sciences, Inc., a final concentration of 100 nM), ATP (a final concentration of 5 &mu;M), and the solution of the compound of the present invention in DMSO (a final DMSO concentration of 5%) were added to a reaction buffer [50 mM Tris-hydrochloric acid buffer (pH 7.4), 15 mM magnesium acetate, and 0.2 mM ethylenediamine-N,N,N',N'-tetraacetic acid (EDTA)]. Then, the resulting mixture was incubated at 25&deg; C. for 50 minutes to carry out kinase reactions. Then, the IMAP&reg; Progressive Binding Reagent diluted 500-fold with the IMAP&reg; Progressive Binding Buffer A (the product of Molecular Devices, LLC.) was added thereto to terminate the kinase reaction. After leaving the resulting product to stand in the dark at room temperature for 120 minutes, the amount of phosphorylation was determined from the degree of fluorescence polarization as measured by the PHERAstar (BMG LABTECH, excitation wavelength of 485 nm, detection wavelength of 520 nm).
8045	2	Kinase Assay	The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as the above method for aurora A, and purified recombinant human aurora B protein was purchased from Carna Biosciences, Inc. The reaction buffer has the following composition: 20 mM HEPES (pH 7.4), 2 mM DTT, 0.01% Tween-20, magnesium chloride at a final concentration of 1 mM, and ATP at a final concentration of 40 &#956;M, and the incubation time was 60 minutes. 
8046	1	In Vitro Assay	HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks&reg; Quattro automated electrophysiology system in accordance with the manufacturer's specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Sodium channel currents were measured in response to a train of depolarizations that induced successively greater inactivation. Cells were held at &minus;110 mV for three seconds (Nav 1.7) or half a second (Nav 1.5) from a holding voltage of &minus;15 mV, then put through a series of 26 pulses of 150 msec duration to &minus;20 mV at a frequency of 5 Hz. Cells were then left unclamped for a period of 3 to 8 minutes while a single concentration of test compound was added. Cells were then reclamped and put through the same voltage protocol. Current at the end of the 26th pulse to &minus;20 mV was subtracted from the peak current evoked by the 26th pulse to &minus;20 mV to correct for leak current.
8046	2	In Vitro PX Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to &#8722;10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. 
8047	1	Inhibition Assay	Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. S-tetralol was used since it is also a substrate of the highly related AKR1C1 and AKR1C2 enzymes. Inhibition of AKR1C1 and AKR1C2 is undesirable in the context of prostate cancer since they are involved in the elimination of DHT (see FIG. 1B; see also Rizner et al, 2003; Steckelbroeck et al. 2004). All assays were performed at Km so that IC50 values across enzyme forms were comparable.An exemplary screening strategy was against homogeneous recombinant AKR1C3 and its highly related enzyme AKR1C2 to generate full dose-response curves and IC50 values. 
8048	1	In Vitro Pharmacodynamic Assay	Modified Ellman method (Alvin V. et al. JWS-USC-75-IX Improves Information Processing and Cognitive Function in Animal Models[J]. Journal of Pharmacology and experimental therapeutics, 2010, 336(3): 751) was employed in the test, for testing the inhibition effect of a series of compounds of formula (I) on acetylcholinesterase, so that active AchEIs were screened out, and their activity were evaluated via the IC50 value of inhibition of the series of compounds of formula (I) on the enzyme.
8049	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.2 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm). 
8043	1	Biotin Assay	A streptavidin-coated plate (Thermo Scientific, NUNC #436014) was washed three times with 300 &mu;L of PBS-0.05% Tween solution. A biotinylated twenty-six amino acid peptide, corresponding to the BH3 domain of Bim, with the sequence biotin-(&beta;)A-D-M-R-P-E-I-W-I-A-Q-E-L-R-R-I-G-D-E-F-N-A-Y-Y-A-R-R-amide (SEQ ID No. 14), hereafter referred to as biotin-Bim, was obtained (Tufts). The biotin-Bim peptide was diluted to 0.018 &mu;g/mL (5 nM) in SuperBlock blocking buffer in PBS (Thermo Scientific, #37515), and 100 &mu;L of this solution was incubated in the streptavidin-coated plate for 2.5 hours while shaking. Separately, a compound of Formula I or Formula II, which had been prepared in a 10 mM stock DMSO solution, was then incubated with 20 nM GST-Mcl-1 fusion protein in PBS. Compounds were tested in six three-fold dilutions ranging from 20 &mu;M to 0.6 &mu;M, 10 &mu;M to 0.3 or 5 &mu;M to 0.15 &mu;M. In addition, Bim peptide (New England Peptide) was utilized as a control and tested in six-fold dilutions ranging from 100 nM to 3.3 nM. The streptavidin-coated plate which had previously been treated with biotin-Bim peptide was then washed three times with 300 &mu;L of PBS-0.05% Tween solution. A solution of GST-MCL-1 and a compound of Formula I or Formula II (100 &mu;L) was then added to the streptavidin-coated plate, with two wells utilized as controls (PBS buffer only, no GST-MCL-1 or biotin-Bim) and two wells as an alternative control (containing GST-MCL-1 but no biotin-Bim), and four three-fold dilutions of DMSO (0.2%, 0.06%, 0.02%, and 0.008%). All wells containing compounds of Formula I or Formula II were loaded in duplicate. The plate was incubated for 2 hours at RT, then washed three times with 300 &mu;L of PBS-0.05% Tween solution. Anti-GST HRP (GE Healthcare, #RPN1236) is diluted 1:20,000 in freshly prepared PBS, 0.1% Tween20, and 0.5% BSA was then added to the plate and the plate was incubated for 30 minutes. The plate was then washed five times with 300 &mu;L of PBS-0.05% Tween solution. A solution of color reagents A (stabilized peroxide solution) and B (stabilized chrommogen solution) (R&D Systems, #DY999) is mixed in a 1:1 ratio and added to each well in a quantity of 80 &mu;L. The wells were allowed to develop until control wells containing DMSO are blue (approximately 5-10 minutes). A solution of ELISA stop solution (1M sulfuric acid, 20 &mu;L per well) was then added. Absorbance at 450 nM was read on a Tecan GeniosPro plate reader.
8050	1	RNAse H Inhibition Assay	To compare activity and inhibition of E. coli RNase H with HIV-1 RNase H, theconcentration of the E. coli was adjusted to the efficiency of 500 nM HIV-1 RT in the absence of inhibitor. For IC50 determination, 100 nM of 5&#39;-radiolabeled PBS-14r8d was heat annealed to a 3-fold molar excess as described above. 100 nM preformed DNA-RNA/DNA hybrid was incubated with 500 nM HIV-1 RT or 10 nM E. coli RNase Hin a buffer of 50mM Tris-HCl (pH 7.8), 50 mM NaCl, 0.2 mM EDTA, and varying concentrations of GSK5750 and &#946;-thujaplicinol. Reactions were initiated by theaddition of 6 mM MgCl2 and allowed to proceed at 37 °C for 6 min. Samples were analyzed as described above.
8050	2	RNAse H Binding Assay	In this case, 1 &#956;M HIV-1 RT was added to 50 mM Tris-HCl (pH 7.8), 50 mM NaCl, 6 mM MgCl2, and varying concentrations of GSK5750 to form enzyme-inhibitor (E-I) complexes. E-I complexes were rapidly mixed with 100 nM DNA/RNA hybrid (PBS-22dpol/PBS-50r) and 1 mM EDTA. Concentrations of GSK5750 were 0, 250, 500, 1000, 2000, 5000 nM.
8051	1	Inhibition Kinetics Assay	Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H to NAD(P)+ at 340 nm (&#949; = 6220 M^-1 cm^-1). For saFabI, the reaction mixture was identical to that described previously for progress curve experiments [Schiebel et al., Structure, 20:802-813]. For ecFabI, the final reaction mixture contained ecFabI (75 nM), trans-2-butenoyl-CoA (800 &#956;M; Sigma and Advent Bio), NADH (300 &#956;M; Sigma), NAD+ (400 &#956;M; Sigma), and inhibitor (2 v/v%DMSO) in 50mM potassium phosphate, pH 7.5, 150 mM NaCl, 8 v/v % glycerol. For InhA, the final reaction mixture contained InhA (100 nM), trans-2-octenoyl-CoA (200 &#956;M), NADH (250 &#956;M), NAD+ (200 &#956;M), and inhibitor (2 v/v%DMSO) in 30mM PIPES, pH 6.8, 150 mM NaCl, 1 mM EDTA, 8 v/v % glycerol.
8052	1	Eya Phosphatase Assay	Eya activity was measured in 50-&#956;l reactions using black, 96-well, half-volume microtiter plates (Greiner Bio-one) with the substrate OMFP (3-O-methylfluoresceinphosphate, Sigma-Aldrich), which is converted to a fluorescent product OMF upon dephosphorylation. The assay conditions used were 50 mM MES, pH 6.5, 50 mM NaCl, 1.25 mM MgCl2, 0.05% BSA, and 1mM DTT, and the reaction contained 50 nM Eya2 ED and 100 &#956;M OMFP. Reactions were started by the addition of OMFP, preceded for 1 h at room temperature followed by terminating the reaction with the addition of 75mMEDTA. Fluorescence intensity was measured at 485/515 nm excitation/emission on a Fluoromax-3 plate reader (Horiba Jobin Yvon).
8052	2	Isothermal Titration Calorimetry (ITC)	Eya proteins were purified via S200 in isothermal titration calorimetry (ITC) buffer (50mM NaPO4 buffer, pH 6.5, 50 mM NaCl). Inhibitor solutions were prepared by diluting from a DMSO stock into ITC buffer. DMSO was added to the protein solution to the same concentration as the inhibitor solution (0.2%), and all solutions were degassed. ITC experiments were performed with a VP-ITC microcalorimeter (MicroCal, Inc.,GEHealthcare) at 25 °C. Due to low solubility of inhibitors in aqueous buffer, we injected Eya protein into the sample cell containing inhibitor, and the reference cell was filled with ITC buffer. After a 2-&#956;l initial injection, 10-&#956;l aliquots of 250 &#956;M protein was added stepwise at 5-min intervals into the sample cell containing 20 &#956;M inhibitor until saturation.
8053	1	DHODH Biochemical Assay	Substrate-dependent inhibition of recombinant PfDHODH protein was assessed in an in vitro assay in 384-well clear plates (Corning 3702) as described by Malmquist et al. IC50 values were determined using a continuous assay where the reagent concentrations were 200 &#956;M L-DHO, 18 &#956;M CoQd, 100 &#956;M dichloroindophenol (DCIP), and 2-10nM DHODH.
8054	1	AlphaScreen Assay	Binding assays were carried out as 20-&#956;l reactions in 384-well white ProxiPlates (Perkin-Elmer Life Sciences) as described [Hong et al., Proc. Natl. Acad. Sci. U.S.A., 104:18439-18444]. His-tagged enzyme (500 nM) was incubated with biotinylated H3K27Me3 peptide (Biotin-KAPRKQLATKAARKMe3SAPATGG, variable concentration) for 15 min at room temperature in buffer containing 50 mM HEPES (pH 7.5), 0.01% Tween 20, 0.1% BSA. AlphaScreen streptavidin-conjugated donor and nickel chelate-conjugated acceptor beads were added to the wells at a final concentration of 10 &#956;g/ml and incubated for a further 1 h in the dark at 22 °C. The plates were analyzed using an Envision (PerkinElmer Life Sciences) plate reader.
8055	1	Functional Calcium Imaging Assay	Briefly, HEK 293T cells stably expressing the G protein-chimera G&#945;16gust44 were seeded onto 96-well plates coated with 10 &#956;g/ml of poly-D-lysine. The next day cells were transiently transfected with ORA1, ORA2, or human bitter taste receptor TAS2R16 constructs using Lipofectamine 2000 (Invitrogen). After 24 h the cells were washed with buffer C1 (130 mM NaCl, 5 mM KCl, 10 mM Hepes, pH 7.4, 2 mM CaCl2, 10 mM glucose), and loaded with the calcium-responsive dye Fluo-4 AM in the presence of 1 mM probenecide, an inhibitor of ABC transporter A1. To remove excessive fluorescence dye, cells were washed three times with buffer C1 and transferred into a fluorometric imaging plate reader (FLIPR, Molecular Devices) for measurement. Test substances were dissolved in C1 buffer and the changes in fluorescence after application of test substances were monitored.
8056	1	Enzyme Activity Assay	Recombinant ECE2 (32.5 ng) with a specific activity of 12 pmol/min/&#956;g protein was generated as described previously. Secreted soluble recombinant ECE1 (30 ng) with a specific activity of 750 pmol/min/&#956;g protein was generated and purified using a protocol similar to that used for ECE2. Solubilized midbrain membranes (10 &#956;g) from wildtype or ECE2 knock-out mice were prepared as described. Enzymatic activity, in the absence or presence of the ECE2 inhibitor S136492 or the ECE1 inhibitor SM19712, was assayed using the synthetic quenched fluorescent substrate McaBk2 (10 &#956;M) at 37 °C with either 0.2 M sodium acetate buffer, pH 5.5, or 50 mM Tris-Cl buffer, pH 7.4, as described previously [Gagnidze et al., J. Med. Chem., 51:3378-3387; Ouimet et al., J. Biol. Chem., 285:34390-34400].
8057	1	Isothermal Titration Calorimetry (ITC)	Synthetic peptides were purchased from Genicbio Ltd. Peptides were dissolved in 25 mM HEPES, pH 7.4, 100 mM NaCl (ITC buffer) to obtain 4 mM stock solutions, which were flash-frozen and stored at &minus;80 &deg;C. The isothermal titration experiments were performed using either a MicrocalTm ITC200 or an autoITC200 (GE Healthcare). The syringe was loaded with titrant peptide at concentrations of 2 or 4 mM (DsbB P2 peptide) or 200 &#956;M (EF-Tu switch I peptide). The sample cell was loaded with oxidized AbDsbA with concentrations of 100 &#956;M (for titrations with DsbB P2 peptide) or oxidized/reduced/mixed AbDsbA of 10 &#956;M (for titrations with EF-Tu switch I peptide) in ITC buffer. To assess whether EF-Tu switch I peptide competes for the DsbB P2 peptide binding site, 100 &#956;M oxidized AbDsbA was incubated with 125 &#956;M EF-Tu switch I peptide for 60 min in ITC buffer before titration with DsbB P2 peptide at 2 mM concentration as described above. Titrations were executed at 25 &deg;C using 19 titrations of 2 &#956;l each separated by 180 s and at a constant stirring speed of 1000 rpm. A pre-injection of 0.5 &#956;l was performed to limit slow diffusion of titrant into the cell before the titration, and the corresponding data point was removed from subsequent analysis.
8059	1	Fluorescence Polarization Assay	SH2 domains were dialyzed into binding buffer (50 mM Hepes, pH 7.25, 150 mM NaCl, 0.01% Nonidet P-40, 5% glycerol) and a 30-&#956;l volume serially diluted into pre-chilled 384-well low flange black flat bottom non-binding microplates (Corning) while on ice. 5 &#956;l of 35 nM fluorescent peptide dissolved in binding buffer was added to each well (final concentration 5 nM), mixed 5 times by pipetting, and plates were incubated at 4 °C for 40 min. Fluorescence polarization experiments were performed with an Analyst AD (Molecular Devices, Sunnyvale, CA) spectrofluorimeter. Each well was excited using 485 nm light and emission was read at 530 nm. Fluorescence polarization was measured 1 mm from the bottom of each well with an integration time of 560 ms. All experiments were conducted in triplicate.
8060	1	Na,K-ATPase Inhibition Assay	Inhibition of Na,K-ATPase activity of the detergent-soluble &#945;1&#946;1, &#945;2&#946;1, and &#945;3&#946;1 complexes by CGs was done exactly as described [Katz et al., J. Biol. Chem., 285:19582-19592], using either the &#945;&#946; or &#945;&#946;FXYD1 complexes
8061	1	Aminoacylation Assay	Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 &#956;M and 100 &#956;M to 195 nM, were prepared. 0.6 &#956;l/well of the diluted compound solutions (50&times; the final assay concentration) were added to white 384-well polystyrene assay plates (Thermo Fisher Scientific/Matrix Technology Corp., Hudson, NH). Uninhibited control wells (MAX)received 2 &#956;l of 30% (v/v) DMSO. Baseline wells (MIN) received 2 &#956;l of a solution containing 30% (v/v)DMSO and 15 mM L-phenylalanine (Sigma-Aldrich). Assays were performed in a buffer consisting of 50 mM Tris-HCl (pH 8.0), 50 mM NH4Cl, 10 mM MgCl2, 2 mM DTT, 0.005% Tween 20 (Surfact-Amps-20, Thermo Fisher Scientific/Pierce Protein Research products, Suwanee, GA), and 0.1 mM EDTA-NaOH (pH 8.0). Compounds were preincubated with 15 &#956;l/well of either 2 nM E. coli PheRS, 2 nM H. influenzae PheRS, or 0.8 nM P. aeruginosa PheRS in buffer for 30 min at 2&times; final assay concentrations. The reactions were initiated with 15 &#956;l/well of a 2&times; substrate solution in buffer containing 2 &#956;M E. coli phenylalanine tRNA (Sigma-Aldrich), 100 &#956;M ATP, and 2 &#956;M [3H]Phe with a specific radioactivity of 6.3 Ci/mmol (PerkinElmer Life Sciences). The reactions were quenched after 30 min with 15 &#956;l/well of a solution containing 4 mg/ml PVT/PEI/WGA type A SPA beads (PerkinElmer Life Sciences), 262 mM sodium citrate (pH 2.0), and 150 mM NaCl. The plates were sealed with transparent film (PerkinElmer Life Sciences). The beads were allowed to settle for a minimum of 2 h before scintillation counting with a Top-Count plate reader (PerkinElmer Life Sciences). [3H] counts (CPM) for aminoacylated tRNA were measured for 1 min/well.
8062	1	Surface Plasmon Resonance (SPR) Assay	Recombinant full-length hnRNPA1 (aa 1-320) and truncated versions of hnRNPA1, including the N-terminal RNA binding domain (aa 1-196), the middle region (aa 182-268), and the C-terminal region (aa 268-320), were individually covalently coupled to a dextran matrix (CM5 chip) using a Biacore T200 system (GE Healthcare), following the manufacturer's protocols. Immobilized proteins were activated with N-hydroxysuccinimide and 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide to form a carbodiamide linkage between carboxyl moieties on the dextran and primary amide groups on the protein. hnRNPA1 variants were dissolved in 10 mM acetate buffer (full-length, pH 4; N-terminal RNA binding domain and the C-terminal region, pH 4.5; middle region, pH 5) to a concentration of 20 &#956;g/ml and flowed over the activated surface for 5 min with PBS. Unreacted groups were blocked with ethanolamine. PBS containing 0.05% (v/v) P20 (surfactant) and 5% DMSO was used for priming and conditioning the surface of the chips. Quercetin was serially diluted (from 200 to 3 &#956;M) in PBS buffer and maintained in DMSO (5% (v/v)) (final concentrations from 10 to 0.15 &#956;M). The baseline response was determined for 120 s (30 &#956;l/min) before perfusing the immobilized proteins with the compounds to allow association to occur. Dissociation was then monitored over a period of an additional 120 s. The immobilized proteins were regenerated with 50 mM NaOH.
8063	1	Kinetic Assay	All assays against Arb93A using the PACE method were carried out as described by[Carapito et al.[Carapito et al., J. Biol. Chem., 284:12285] using inhibitor concentrations of 50 and 100 &#956;M. Assays against Arb93A using 4 were carried out in triplicate at 40°C using a continuous assay procedure where reactions were initiated by the addition of enzyme. Assays were conducted in buffer (20 mM Tris, 200 mM NaCl, pH 8.3) For the extent of 4-nitrophenol release this was determined using a Cary 4000 at 400 nm. Assays usedenzyme at a concentration of 0.5-10 nM with the appropriate substrate concentration.
8064	1	Heme Binding Assay	Heme binding was tracked by difference spectroscopy in the Soret region of the UV&#8722;visible spectrum. Successive aliquots of 0.5 mM hemin in 0.1 M NaOH were added to both the sample cuvette, which contained 10 &#956;M apo-HutZ, and the referencecuvette. Spectra were recorded 3 min after the addition of each heme aliquot.
8065	1	&alpha;-Glucosidase Inhibition Assay	For &alpha;-glucosidase inhibition assay, &alpha;-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbose was the reference standard and Pierre's methodology was employed [Pierre et al., J. Clin. Chem., 24:208-211]. First absorbance was taken at 400 nm after the 10 min incubation of a mixture of phosphate buffer (70 mL, pH 6.8), test compound (10 mL, 0.5 mM) and enzyme (10 mL, 0.0234 units, Sigma Inc.). Later, 10 mL of p-nitrophenyl-&alpha;-D-glucopyranoside (0.5 mM, code No. N1377 from Sigma Inc) was added. After 30 min incubation at 37 &deg;C, the absorbance was retaken at 400 nm.
8066	1	Fluorescence Polarization Assay	The fluorescence polarization assays were performed at 298 K following a protocol modified from previously reported protocol [Zhuo et al., Mol. Biosyst., 12:2532-2540]. Synthetic peptides were labeled with fluorescein. Titrations were conducted by monitoring polarization as a function of increasing amounts of the proteins of TnC N-terminal domain added to 20 nM fluorescein-peptides in a buffer 50 mM HEPES, pH 7.0, 0.1% Tween 20, 200 mM NaCl and 15 mM DTT.
8067	1	In Vitro Phosphatase Assay (pNPP)	Briefly, assays without and with inhibitors were performed in Greiner 96-well clear bottom plates with a total assay volume of 200 &#956;L. The assay buffer contained 100 mM Tris, 100 mM NaCl, 5 mM MgCl2 &#149; 6H2O and 1 mM dithiothreitol (DTT) at pH 7.5. p-nitrophenyl phosphate (pNPP, Sigma Aldrich) 5 mM was used as the substrate. DUSP5 PD(WT) dephosphorylates pNPP to yield p-nitrophenolate, which absorbs at 405 nm, having an extinction coefficient of 18,000 M^-1 cm^-1. The reaction was initiated by the addition of 4 &#956;L of a 29 &#956;M DUPSP5 PD(WT) enzyme stock and absorbance was monitored at 25 °C over time using a Spectramax M5 microplate reader (Molecular Devices). Blanks contained only buffer and pNPP. Negative controls (without inhibitor) contained assay buffer with pNPP and DUSP5 PD(WT).
8067	2	pERK Assay	This assay was done with full-length protein (containing both domains), and using pERK as substrate.
8067	3	Phosphatase Inhibition Assay	Upon the addition of 4 &#956;L of these respective inhibitor stock solutions to the assay buffer, the resulting range in assay inhibitor concentrations were 0.1 &#956;M to1,000 &#956;M for the various 1-amino-5-naphthol-7-sulfonic acid sources, 0.1 &#956;M to 300 &#956;M for RR601 and 0.1 &#956;M to 300 &#956;M for NSC-87877. Appropriate vehicles were added to the blank and negative control wells. A minimum of three replicate wells was run for each condition and at each inhibitor concentration. The replicate wellswere averaged to give a single data point. The reaction was initiated upon addition of 4 &#956;L of a 29 &#956;M enzyme stock which was dispensed to each of the wells except the blanks utilizing a single channel pipette. The resulting DUSP5 PD(WT) concentration in the assay buffer was 0.58 &#956;M. The plate was returned to the plate reader, shaken, and absorbance recorded at 25 &deg;C every thirty seconds over a ten to sixty mins time course. In selected experiments the plate was returned to the plate reader following a 10 mins recording for one or two additional 10 mins absorbance recordings.
8067	4	In Vitro Phosphatase Assay	Assays with and without inhibitor were performed in Corning 96-well clear bottom plates having a nonbinding surface, with a total assay volume of 200 &#956;L. The assay buffer contained 100 mM Tris, 100 mM NaCl, 1 mM EDTA at pH 7.0 and 2.2 mM pNPP as the substrate. Serial dilutions of each of the RR601 and NSC-87877 stocks were performed such that upon the addition of 4 &#956;L of a respective inhibitor stock to the assay buffer, the resulting range in assay inhibitor concentrations were 0.03 &#956;M to 100 &#956;M for RR601 and 0.1 &#956;M to 300 &#956;M for NSC-87877. The reaction was initiated upon addition of 4 &#956;L of a 5.0 &#956;M PTP1B stock, which was dispensed to each of the wells except the blanks using a single channel pipette. The resulting PTPB1 concentration in the assay buffer was 0.1 &#956;M. The plate was returned to the plate reader, shaken, and absorbance recorded at 25 &deg;C every thirty seconds over a 10 mins period when RR601 (Fig. 8a) was used, or for 60 mins when NSC-87877 was used as the inhibitor.
8068	1	[3H]8-OH-DPAT Binding Assay	For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclear, Boston, MA) and appropriate concentrations of test compounds were added to 0.25 mL of 50 mM Tris-HCl (pH 7.4) buffer containing 10 mM MgSO4, 0.5 mM ethylenediaminetetraacetic acid (EDTA), and 0.1% ascorbic acid. Incubations were carried out for 60 min at 27 &deg;C, and these were terminated by rapid filtration using a MicroBeta FilterMate-96 harvester (PerkinElmer) through a Filtermat A glass fiber filter presoaked in 0.3% polyethylenimine (PEI). The filter was washed with ice-cold 50 mM Tris-HCl buffer solution (pH 7.4), and was then covered with MeltiLex, sealed in a sample bag, and dried in an oven.
8068	2	[3H]Ketanserin Binding Assay	For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) and [3H]ketanserin (1 nM; PerkinElmer) were used in the presence of mianserin (20 &#956;M) as nonspecific. The reaction mixture was incubated for 60 min at 27°C using 50 mM Tris-HCl (pH 7.4) buffer containin 4 mM CaCl2 and 0.1% ascorbic acid, and harvested through a Filtermat A glass fiber filter presoaked in 0.5% PEI.
8068	3	[3H]Mesulergine Binding Assay	Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]mesulergine (1 nM; Amersham Biosciences, Buckinghamshire, UK), receptor membrane, and test compounds were added into 50 mM Tris-HCl (pH 7.4) buffer containing 0.1% ascorbic acid and 4 mM CaCl2. Nonspecific binding was determined using 100 &#956;M mianserin. The incubations were performed for 60 min at 27°C, and these were terminated by rapid filtration through a Filtermat A glass fiber filter presoaked in 0.5% PEI.
8068	4	[3H] LSD Binding Assay	For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding, frozen membrane, 1 nM [3H]LSD (lysergic acid diethylamide; PerkinElmer), and appropriate concentrations of test compounds were added to 0.25 mL of 50 mM Tris-HCl (pH 7.4) buffer containing 0.1% ascorbic acid and 4 mM CaCl2. Nonspecific binding was determined using 10 &#956;M methiothepin. The incubations were performed for 60 min at 27 &deg;C, and these were terminated by rapid filtration through a Filtermat A glassfiber filter presoaked in 0.5% PEI. For the 5-HT7 receptor binding assay, cell membrane, 3 nM [3H]LSD, and appropriate concentrations of test compounds were added to 0.25 mL of 50 mM Tris-HCl (pH 7.4) buffer containing 10 mM MgSO4 and 0.5 mM EDTA. The mixture was incubated for 120 min at 27 &deg;C, and the reaction was terminated by rapid filtration through a Filtermat A glass fiber filter presoaked in 0.3% PEI. Nonspecific binding was determined using 10 &#956;M methiothepin.
8069	1	Cathepsin L Enzyme Assay	The protease was activated by the addition of dithiothreitol, ethylenediaminetetraacetic acid (EDTA), and sodium acetate followed by incubation at 37°C for 2 h. Proteinase activity was measured fluorometrically using Z-Phe-Arg-NHMec as substrate. The substrate was stored as a 1 mM stock solution in dimethyl sulfoxide (DMSO). Assays were carried out using a final concentration of 10 &#956;M substrate in 0.1 M sodium acetate containing 0.1 M dithiothreitol and 0.5 M EDTA. The enzyme and inhibitor were incubated together for 15 min at 37°C, at which stage the substrate was added. The mixture was incubated at 37°C for 30 min. The reaction was stopped by the addition of 150 &#956;L of a 10% acetic acid solution. The amount of 7-amino-4-methylcoumarin (-NHMec) released was measured using a PerkinElmer fluorescence spectrophotometer with excitation set at 370 nm and emission at 440 nm.
8070	1	In-Vitro Fluorescence Assay	In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent group (MCA=(7-methoxycoumarin-4-yl)acetyl) which is quenched by energy transfer from a Dpn (2,4 dinitrophenyl) group on the same molecule, in Greiner 384-well nb microtitre plates. Cleavage of the peptidic substrate by cathepsin D causes an increase in the fluorescence intensity. In order to determine the efficacy of substances, the time-dependent increase in the fluorescence intensity in the presence of the substance was compared with the time-dependent increase in fluorescence in the absence of substances. The reference substance used was pepstatin A (Sigma-Aldrich). The substrate used was MCAGKPILFFRLK(Dnp)d-R-NH2 (Enzo Life Sciences, Lorrach). The enzyme employed was cathepsin D isolated from the human liver (Sigma-Aldrich) in a final concentration of 1.4 nM. The test was carried out in 100 mM sodium acetate buffer, 1.25% (v/v) of DMSO, 0.25% (w/v) of Chaps, pH 5.5. 2 ul of each substance solution with serially diluted substance concentration were added to in each case 4 ul of cathepsin D solution and incubated at room temperature for 10 min. The reaction was started by addition of 2 ul of substrate solution (final concentration 5 uM). After carrying out a starting-point fluorescence measurement (excitation wavelength 340 nm/emission wavelength 450 nm) using an Envision multilabel reader (Perkin Elmer), the reaction was incubated at room temperature for 60 min. The amount of peptide fragment cleaved off during the reaction time was subsequently measured by determination of the increase in the fluorescence intensity at 450 nm (excitation wavelength 340 nm).
8071	1	Kinase Activity Assay	After 24 h treatment with the medicament, the cells were lysed with a lysis solution (Cell Culture Lysis buffer, Promega) and centrifuged, and the supernatant was collected. The supernatant was reacted with a fluorescence assay kit (Promega) and counted by a fluorometer (Ascent Fluoroskan FL reader, Thermo Labsystems, Finland), and the relative intensity of luciferase was determined. For the assay of the &#946;-galactosidase activity used in the experiment as the internal reference (the internal reference for calibrating the transfection efficiency), 50 &#956;l of the supernatant was transferred into a fresh microplate, treated with a Promega kit, and the value was read with a microplate reader at a wavelength of 405 nm (Bio-tech Instruments Inc., Winooski, Vt., USA) (Sauerberg, P.; Olsen, G. S.; Jeppesen, L.; Mogensen, J. P. et al., J. Med. Chem., 2007, 50, 1495-1503).
8072	1	Human Neutrophil Elastase Assay	The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA.Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 &#956;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
8073	1	Fluorescence Polarization Assay (FPA)	The assays were performed in black flat-bottom 384-well plates. The final assay volume was 50 &#956;l prepared from additions of Gst-Bcl-2 (Bcl-2: GENBANK Accession No. P10415), fluoresceinated 18-mer BIM peptide (NH2-YYANFEDGIRRLEQAIWI-[FAM]) (SEQ ID NO: 1), and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% Pluronic Acid. The reaction was incubated at room temperature for 60 minutes and fluorescence polarization of the reaction was detected on the LJL Plate Reader. Inhibition data were calculated from mP values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assay were 4.9 nM BCL-2, 5 nM fluoresceinated 18-mer BIM peptide and 1% DMSO.
8073	2	Fluorescence Resonance Energy Transfer Assay (FRET)	The assays were performed in black flat-bottom 384-well plates. The final assay volume was 55 &#956;l prepared from additions of Biotin-Bcl-xL (Bcl-xL: GENBANK Accession No. Q07817), fluoresceinated 18-mer BIM peptide (NH2-YYANFEDGIRRLEQAIWI-[FAM]) (SEQ ID NO: 1), Streptavidin-Terbium FRET detection reagent, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% Pluronic Acid. The reaction was incubated at room temperature for 60 minutes. After 60 minutes, 5 &#956;L of Streptavidin-Terbium FRET detection reagent (Perkin Elmer) was added to the reaction mixture and incubated at room temperature in the dark for 30 mins. The FRET signal generated by the reaction was detected on the Envision Plate Reader Inhibition data were calculated from FRET values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 10 nM Bcl-xL, 5 nM fluo
8074	1	JAK Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip&reg; technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &mu;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &mu;M peptide substrate, ATP (25 &mu;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22&deg; C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &mu;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip&reg; 3000 according to the manufacturer's specifications.
8075	1	ABAD Enzymatic Activity Assay	The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 &mu;M), NADH (102 &mu;M), and different concentrations of inhibitors (from 0 to 1000 &mu;M) in 93 mM potassium phosphate buffer (pH 7.3). Before the assay, all the assay components except SAAC were pre-incubated for 5 minutes, and the reaction started with the addition of SAAC into the reaction mix. The reaction was carried out for a total 6 minutes at room temperature under steady-state conditions, and the decrease of NADH absorbance at 340 nm was determined every 10 seconds.
8075	2	Surface Plasmon Resonance (SPR)Assay	The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies were performed on a BIACORE 3000 at 25&deg; C. SPR binding experiments with ABAD were performed in phosphate-buffered saline (PBS, pH 7.4, 0.005% surfactant P20) as the running and the sample buffer. The surface of the sensor chip was first activated with mixtures of N-hydroxysuccinimide (NHS, 115 mg/ml) and N-(3-dimethyl-aminopropyl)-N'-ethyl-carbodiimide-hydrochloride (EDC, 750 mg/ml) for 7 minutes. ABAD was dissolved in PBS buffer (pH 5.0) at a concentration of 10 &mu;g/ml. The protein was immobilized directly and covalently on the hydrophilic carboxymethylated dextran matrix of the CM5 sensor chip (BIACORE) by using the standard primary amine coupling reaction on a CM5 sensor chip according to standard procedures. After the immobilization of the protein, excess activated carboxylic acid groups were quenched with ethanolamine (1 M, pH 8.5). Special care was taken during injection of samples because of carryover effects. Special washing routines were used to clean the system before injection of new samples. In addition, predipping of needles was performed. The sample flow was 40 &mu;l/minute in experiments performed for the determination of the kinetic and equilibrium constants. Regeneration of the surfaces between subsequent binding experiments was achieved by washing the surface extensively (>>1 hour) with buffer solution.
8076	1	 V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays	V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 cells were transfected with plasmids pTriEx3-Hygro-hCyp11B2 or pTriEx3-Hygro-hCyp11B1 using Lipofectamine2000 reagent. V79 cells that stably express the human CYP11B2 or human CYP11B1 enzyme were selected for and maintained in DMEM supplemented with 10% FBS and 400 &mu;g/mL hygromycin for ~2 weeks. Single cell clones were generated by infinite dilution in DMEM supplemented with 10% FBS and 400 &mu;g/mL hygromycin until single colonies were obtained. Clones V79-hCYP11B2-CLE9 and V79-hCYP11B1-8CLC7, were determined to produce the most aldosterone and cortisol, respectively, and were selected for inhibitor screening. For testing of inhibitors, cells were harvested at 80% confluency with 0.5% Trypsan-EDTA, washed once in PBS, and reconstituted in DMEM+0.1% BSA media at a cell concentration of 600,000 cells/mL for the CYP11B2 assay and 280,000 cells/mL for the CYP11B1 assay. 25 &mu;L of cells were added to a 384 well tissue culture treated plate and mixed with 0.3 &mu;L of inhibitor or DMSO (1% final DMSO concentration) for 1 hour at 37&deg; C., 5% CO2. After pre-incubation with inhibitor, the reaction was initiated by adding 5 &mu;L of substrate (final concentration of 125 nM 11-deoxycorticosterone for the CYP11B2 assay or 250 nM 11-deoxycortisol for the CYP11B1 assay). The reaction was carried out for 3 hours at 37&deg; C., 5% CO2 and was stopped by harvesting the supernatants. The amount of product in the supernatant (aldosterone for CYP11B2 assay and cortisol for the CYP11B1 assay) was measured using HTRF-based assay kit (Aldosterone HTRF-CisBio#64ALDPEB, Cortisol HTRF-CisBio #63IDC002-CORT).
8077	1	Receptor Binding Assay	Determination of binding to D4.4 receptor was performed using [3H]-YM-09151-2 (70-87 Ci/mmol, 0.3 nM), as a radioligand, in the presence of various concentrations of the tested compound. Reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 5 mM MgCl2, 5 mM EDTA, 5 mM KCl and 1.5 mM CaCl2, for 60 minutes at 22&deg; C. The reaction was terminated by rapid vacuum filtration onto glass fiber filters.
8078	1	Transactivation Assay	The products are dissolved at 10 mM in DMSO. They are tested as a response dose at 0.1% of DMSO final. The range comprising 10 points and a zero starts at 10 &mu;M with four-fold dilutions. To test agonists, the products are tested alone. To determine the antagonist behaviour, the products of interest are tested in the presence of 1 nM NDP-MSH (reference agonist). The cells are inoculated at a rate of 5000 cells per well (384-well plate) in serum-free DMEM medium and incubated overnight at 37&deg; C. and 5% CO2. The products and the reference ligand (NDP-MSH) are added the following day and the plates are reincubated for 6 hours at 37&deg; C. and 5% CO2. After adding the lysis buffer containing luciferin, the plates are read in a Top-Count machine.
8079	1	Inhibition Assay	10 &#956;L of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 &#956;L of a 5 &#956;g/mL human ENPP2 solution (buffer A: 100 mmol/L Tris-HCl (pH 9.0), 500 mmol/L NaCl, 5 mmol/L MgCl2, 0.05% Triton X-100) were mixed, 50 &#956;L of a 2 mmol/L 16:0-lysophosphatidylcholine (LPC) solution (buffer A) was further added to react at 37° C. for 24 hours. Subsequently, to 10 ill, of the reaction solution was added 90 III, of a measurement buffer (0.5 mmol/L aminoantipyrine, 0.3 mmol/L N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline, 1 U/mL peroxidase, 3 U/mL choline oxidase, 100 mmol/L Tris-HCl (pH 8.5), 5 mmol/L CaCl2) to react at 37° C. for 20 minutes, and spectrophotometric determination was performed at 555 nm.
8080	1	TLR9 Antagonism Assay	Day 1: A cell suspension of HEK-Blue&trade;-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was prepared. 180 &mu;l of cell suspension (~80,000 cells) was added per well of a flat-bottom 96-well plate and place in an incubator at 37&deg; C. for overnight. Day 2: Test compounds were serially diluted in test medium, generally starting at 10 &mu;M, and diluting by 3 fold in a 96 well master plate. 20 &mu;l of diluted test compound was transferred using a 12 channel multi-channel pipet to the cell plate and incubated at 37&deg; C. for 1 hour. Then 20 &mu;l of an hTLR9 agonist (such as ODN 2006, 1 &mu;M) was added to each well and the plate incubated at 37&deg; C. overnight. Day 3: Invivogen's QUANTI-Blue&trade; was prepared following the manufacturer's instructions. 180 ml of resuspended QUANTI-Blue&trade; was added per well of a flat bottom 96-well plate. 20 &mu;l per well of induced HEK-Blue&trade;-hTLR9 cells supernatant was then added to the plate and the plate was incubated at 37&deg; C. for 1-3 h. SEAP levels were determined using a spectrophotometer at 620 nm.
8081	1	Cell Proliferation Inhibition Assay	The following in vitro assay is to determine the activity of the tested compounds for inhibiting the proliferation of cancer cells, which has high expression of EGFR. The activity is represented by the IC50 value. The general procedures of the assay are given as follows: The cancer cells A431 that highly expressing EGFR (Institute of biochemistry and cell biology) were chosen and seeded to 96-well cell culture plate at a suitable concentration (e.g., 5000 cells/mL medium). The cells then were incubated in carbon dioxide (CO2) incubator until they reached 85% confluency. Then, the cell culture medium was replaced by fresh one with tested compounds added in it at serial concentrations (general 6 to 7 concentrations). Then the cells were put back to the incubator and cultured continuously. 72 hours later, the activity of the tested compounds for inhibiting the cell proliferation was determined by using Sulforhodamine B (SRB) method. 
8081	2	Time-Resolved Fluorescence Assay	The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inhibitory concentration IC50 (the concentration of the tested compound showing 50% inhibition of the enzyme activity) of each compound was determined by incubating several different concentrations of the tested compounds with a specific enzyme and substrate. EGFR kinase used in this assay is a human-derived recombinant protein (Cell signaling technology, #7908), which was reacted with peptide substrate and different concentrations of tested compounds in a buffer solution containing 60 mM HEPES (pH7.5), 5 mM MgCl2, 5 mM MnCl2, 3 &#956;M Na3VO4, 1.25 M DTT (1000×) and 20 &#956;M ATP at 25° C., for 45 minutes. The EGFR kinase activity was determined by using a Time-Resolved fluorescence method.
8082	1	HDAC Activity Assay	In vitro bioactivity evaluation of compounds 4a-n was performed by HDAC activity assays using a HDAC colorimetric activity assay kit (AK501; Biomol Research Laboratories). The source of HDACs was HeLa nuclear extracts, including HDAC1 and HDAC2. Assays were performed according to kit instructions.
8083	1	AChE Assay	The inactivation of AChEs was determined using a colorimetric assay [Ellman et al., Biochem. Pharmacol., 7:88-95]. Carrier solvents (ACN, methanol, ethanol, or acetone) showed that 1% (v/v) organic solvent caused a significant decrease (>5%) in rMAChE enzyme activity. ACN was selected as a carrier because it showed no effect on enzyme activity at 0.5% (v/v). All the fluorophore amides showed interference at 412 nm at &#8805;100 &#956;M, and therefore inhibition studies were conducted at &#8804;100 &#956;M. The inhibition of rMAChE and EEAChE by compounds 1-7 was determined as follows. DTNB solution and a solution of AChE yielding a 0.1 Abs unit/min rate in PBS (2.80 mL; pH 7.6) were placed in a cuvette at 20&deg;C. To this solution was added either: (a) 10 &#956;L of ACN as the control, or (b) 10 &#956;L of ligand solution (10 mM in ACN). After 6 min incubation, the remaining enzyme activity was determined by adding 20 &#956;L aliquots of the ATCh-I solutions and the hydrolysis rate was monitored at 412 nm over a period of 10 min ( 15 s intervals). The final concentrations of the reactants during enzyme assay were: 0.33 mM DTNB, 0.59 mM ATCh-I, 0.58 mM NaHCO3, and 0.05 mM inhibitor.
8084	1	BChE Inhibition Assay	BChE inhibitions by the carbamate inhibitors were assayed by the Ellman method [Ellman et al., Biochem. Pharm., 7:88-95]. BChE-catalyzed hydrolysis of BTCh in the presence of the carbamate inhibitors and DTNB was followed continuously at 410 nm on a UV-visible spectrometer. The temperature was maintained at 25.0°C by a refrigerated circulating water bath. All inhibition reactions were performed in sodium phosphate buffer (1 mL, 0.1 M, pH 7.0) containing NaCl (0.1 M), acetonitrile (2% by volume), triton X-100 (0.5% by weight), substrate (ATCh for AChE or BTCh for BChE) (50 &#956;M), DTNB, and varying concentrations of inhibitor. Requisite volumes of stock solution of substrateand inhibitors in acetonitrile were injected into the reaction buffer via a pipet. BChE was dissolved in sodium phosphate buffer (0.1 M, pH 7.0).
8085	1	In Vitro &#945;-Glucosidase Inhibitory Assay	Rat intestinal acetone powder in normal saline (100: 1; w/v) was sonicated thoroughly and the supernatant was used as a source of crude intestinal &#945;-glucosidase after centrifugation. In brief, 10 mL of test sample ( 5 mg/mL DMSO solution) was reconstituted in 100 mL of 100 mM phosphate buffer (pH 6.8) in a 96-well microplate and incubated with 50 mL of crude intestinal &#945;-glucosidase for 5 min before 50 mL substrate (5 mM pNPG prepared in same buffer) was added. Release of p-nitrophenol was measured at 405 nm spectrophotometrically (SpectraMax Plus384; Molecular Devices Corp., Sunnyvale, CA, USA) 5 min after incubation withsubstrate. Individual blanks for test samples were prepared to correct background absorbance where substrate was replaced with 50 mL of buffer. The control samplecontained 10 mL of dimethylsulfoxide (DMSO) in place of test sample.
8086	1	Amidolytic Activity Assay (Urokinase)	Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of the method is given below. To 0.2 cm3 of examined compound (1&#8722;11; 0.15 M NaCl as control), buffer, and 0.1 cm^3 of enzyme solution was added: tris buffer&#8722;0.6 cm3 (pH = 8.8); enzyme: urokinase (50 units/cm^3); synthetic substrate: S-2444 (0.1 cm^3, 3 mM/dm^3).
8086	2	Amidolytic Activity Assay (Thrombin)	Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of the method is given below. To 0.2 cm3 of examined compound (1&#8722;11; 0.15 M NaCl as control), buffer, and 0.1 cm^3 of enzyme solution was added: tris buffer&#8722;0.5 cm^3 (pH = 8.4); enzyme: thrombin (1 unit/cm^3); synthetic substrate: S-2238 (0.2 cm^3, 0.75 mM/dm^3).
8086	3	Amidolytic Activity Assay (Trypsin)	Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of the method is given below. To 0.2 cm3 of examined compound (1&#8722;11; 0.15 M NaCl as control), buffer, and 0.1 cm^3 of enzyme solution was added: borane buffer&#8722;0.5 cm^3 (pH = 7.5); enzyme: trypsin (0.4 unit/cm^3), synthetic substrate: Bzl-l-Arg-pNA HCl(0.2 cm^3, 8 mM/dm^3).
8086	4	Amidolytic Activity Assay (Plasmin)	Determination of amidolytic activity was performed as described previously [Okada et al., Chem. Pharm. Bull., 36:1289-1297]. Detailed description of the method is given below. To 0.2 cm3 of examined compound (1&#8722;11; 0.15 M NaCl as control), buffer, and 0.1 cm^3 of enzyme solution was added: tris buffer&#8722;0.5 cm^3 (pH = 7.4); enzyme: plasmin (0.4 unit/cm^3); synthetic substrate: S-2251 (0.2 cm^3, 3 mM/dm^3).
8087	1	MT Kinetic Assay	The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 mL in 50 mM phosphate buffer (pH 6.8). The final concentration of mushroom tyrosinase was 26.07 &#956;g/mL for cresolase activity and 6.52 &#956;g/mL for catecholase activity. Freshly prepared enzyme, substrate, and dithiocarbamates I and II were used in this work. The reaction was carried out under constant temperatures of 27 and 37°C. Substrate addition followed incubation of the enzyme with different concentrations of synthetic inhibitors.
8088	1	Lipoxygenase Inhibition Assay	A mixture of test compound (10 &#956;L; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 &#956;L; 70 units) in 0.1 M aqueous phosphate buffer (pH 8.0) in a total volume of 160 &#956;L was incubated for 10 min at 25°C. Then the reaction was initiated by the addition of a solution of linoleic acid as substrate (10 &#956;L; 20 &#956;M), resulting in the formation of (9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate. The change in UV absorbance at 234 nm was followed over a period of 6 min. All reactions were performed in triplicate, and analyzed with a 96-well plate reader (SpectraMax Plus 384; Molecular Devices).
8089	1	Biological Assay	The synthesized compounds were evaluated for their ability to inhibit DHFR from pc, tg, ma, and rl using a continuous spectrophotometric assay measuring oxidation at 340 nM of NADPH at 37°C under conditions of saturating substrate and cofactor as previously described [Broughton et al., Antimicrob. Agents Chemother., 35:1348-55; Chio et al., Antimicrob. Agents Chemother., 37:1914-23].
8090	1	FAS Activity Assay	FAS activity was determined by monitoring the decrease in absorbence at 340 nm resulting from the oxidation of NADPH using an Amersham Pharmacia Ultrospec 4300 pro UV-Vis spectrophotometer at 37°C. The assay mixture contained 100 mM potassium phosphate buffer, pH 7.0, 1 mM EDTA (ethylenediaminetetraacetic acid), 2.5 &#956;M acetyl-CoA, 10 &#956;M malonyl-CoA, 32 &#956;M NADPH, and 10 &#956;g chicken liver FAS in a total volume of 2.0 mL [Tian et al., J. Biol. Chem., 260:11375-87]. Fast inhibition was determined by adding thioether to the reaction system before FAS initiated the reaction. The initial velocity was measured to calculate the remaining activity (RA) of FAS, and each assay was repeated three times.
8091	1	5&alpha;-Reductase Activity Assay	The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, 2 nM [1,2,6,7-3H]T [Cabeza et al., Steroids 60:630-5]. The reaction in duplicate was started when it was added to the enzymatic fraction (500 &#956;g protein in a volume of 80 &#956;L) incubated at 37&deg;C for 60 min [Hirosumi et al., J. Steroid Biochem. Mol. Biol., 52:357-63] and stopped by mixing with 1 mL of dichloromethane; this was considered as the end point. Incubation without tissue was used as a control. The mixture (incubation medium/dichloromethane) was agitated on a vortex for 1 min and the dichloromethane phase was separated and placed in another tube. This procedure was repeated four more times. The dichloromethane extract was evaporated to dryness under a nitrogen stream and suspended in 50 mL of methanol that was spotted on high-performance thin layer chromatography (HPTLC) Keiselgel 60 F254 plates. T and DHT were used as carriers, and were applied in different lanes on both lateral sides of the plates (T, T + DHT, and DHT). The plates were developed in chloroform-acetone, 9:1, and were air-dried; the chromatography was repeated twice more. The steroid carriers were detected using phosphomolybdic acid reagent (DHT) and with an ultraviolet (UV) lamp (254 nm) (T). After the plates were segmented into pieces of 1 cm each, these were cut off and the strips soaked in 5 mL of Ultima Gold (Packard). The radioactivity was determined in a scintillation counter (Packard Tri-Carb 2100 TR). The radioactivity content in the segment corresponding to T and DHT carriers was identified. Radioactivity with identical chromatographic behavior to the DHT standard was considered as the DHT transformation. Control incubations, chromatography separations, and identifications were carried out in the same manner as described above, except that the tubes did not contain tissue.
8092	1	Radioligand Binding Assay	1H nuclear magnetic resonance (NMR) and 13C NMR spectra were recorded on a Bruker Avance DPX250 spectrometer (250.131 MHz), in CDCl3 and using tetramethylsilane asinternal standard; multiplicities were determined by the DEPT 135 sequence, and chemical shifts are reported in parts per million (ppm). Coupling constants are reported in units of hertz (Hz) if applicable. Infrared (IR) spectra were recorded on a PerkinElmer Paragon 1000 PC Fourier transform infrared (FTIR) spectrometer using NaCl films or KBr pellets. Mass spectra (MS) were recorded on a PerkinElmerSCIEX AOI 300 spectrometer. Flash chromatography was performed on Merck 40-70 nM (230-400 mesh) silica gel under nitrogen pressure. Thin layer chromatography (TLC)was carried out on Merck silica gel 60 F254 precoated plates. Visualization was made with ultraviolet light at 254 nm.
8093	1	In Vitro Cyclo-Oxygenase Inhibition Assay	Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to the methodology described by Jashim Uddin et al. [Jashim Uddin et al., Bioorg. Med. Chem., 12:5929-40].
8094	1	3D-QSAR	The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (&#8722;log(IC50)) for use in the 3D-QSAR study.
8095	1	EGFR Tyrosine Kinase Activity Assay	Kinase assays were performed in 96-well plates (Multiscreen Durapore, Millipore) using [&#947;-32P]ATP (Amersham Biosciences) and the synthetic polymer poly(Glu4/Tyr)(Sigma Chemicals) as a phosphoacceptor substrate. Tested compounds were dissolved in 1H-NMR DMSO, and the final concentration of 1H-NMR DMSO in assay solutions was0.1% (total kinase activity) or 0.01% (EGFR kinase activity), which was shown to have no effect on kinase activity. 20 ng of EGFR (purified from human carcinoma A431 cells; Sigma Chemicals) was incubated for 1 h at 28°C using various concentrations of tested compounds in kinase buffer (HEPES 50 mM pH 7.5, bovine serum albumin (BSA) 0.1 mg/mL, MnCl2 10 mM, MgCl2 5 mM, Na3VO4 100 &#956;M, dithiothreitol (DTT) 0.5 mM, poly(Glu4/Tyr) 250 &#956;g/mL, ATP 5 &#956;M, [&#947;-32P]ATP 0.5 &#956;Ci).
8095	2	VEGFR-2 Tyrosine Kinase Activity Assay	Kinase assays were performed in 96-well plates (Multiscreen Durapore, Millipore) using [&#947;-32P]ATP (Amersham Biosciences) and the synthetic polymer poly(Glu4/Tyr)(Sigma Chemicals) as a phosphoacceptor substrate. Tested compounds were dissolved in 1H-NMR DMSO, and the final concentration of 1H-NMR DMSO in assay solutions was0.1% (total kinase activity) or 0.01% (EGFR kinase activity), which was shown to have no effect on kinase activity. 10 ng of VEGFR-2 (recombinant human protein; Invitrogen) was incubated for 1 h at 28°C using various concentrations of tested compounds in kinase buffer (Tris 50mM pH 7.5, BSA 25 &#956;g/mL, MnCl2 1.5 mM, MgCl2 10 mM, DTT 2.5 mM, Na3VO4 100 &#956;M, &#946;-glycerophosphate 5 mM, poly(Glu4/Tyr) 250 &#956;g/mL, ATP 5 &#956;M, [&#947;-32P]ATP 0.5 &#956;Ci).
8096	1	Urease Inhibition Assay	Reaction mixtures comprising 25 &#956;L of enzyme (jack bean urease) solution and 55 &#956;L of buffer containing 100 mM urea were incubated with 5 &#956;L of test compound (0.5 mM) at 30°C for 15 min in 96-well plates. Urease activity was determined by measuring the ammonia production using the indophenol method, as described by Weatherburn11. Briefly, 45 &#956;L of each phenol reagent (1% (w/v) phenol and 0.005% (w/v) sodium nitroprussside) and 70 &#956;L of alkali reagent (0.5% (w/v) NaOH and 0.1% active chloride, NaOCl) were added to each well. The increasing absorbanceat 630 nm was measured after 50 min, using a microplate reader (Molecular Devices, Sunnyvale, CA, USA). All reactions were performed in triplicate in a final volume of 200 &#956;L. The results (change in absorbance per min) were processed using SoftMax Pro software (Molecular Devices). The entire assay was performed at pH 6.8.
8097	1	Acetylcholinesterase Inhibition Assay	The assay was carried out according to the Ellman method [Ellman et al., Biochem. Pharmacol., 7:88-95], optimized for 96-well microplates using a Tecan Sunrise&trade; absorbance reader. The initial reaction velocities were measured at different concentrations of the tested compound solution and fixed ATCI concentrations (0.062-1.25 mM). The reaction mixture contained 50 &#956;L of 0.26 U mL^&#8722;1 AChE, 25 &#956;L of 7.6 mM DTNB, and 20 &#956;L of the tested compound solution together with an aliquot volume of 6.24 mM ATCI solution in order to obtain the required concentration of ATCI in the final volume (250 &#956;L) of reaction mixture, and 0.1 M phosphate buffer pH 8.0 in order to achieve the final volume of reaction mixture. For the blank, 50 &#956;L of 0.26 U mL^&#8722;1 AChE was replaced by the same volume of 0.1 M phosphate buffer pH 8.0. In a typical assay, solutions of AChE, DTNB, and the compound to be tested, as well as the phosphate buffer, were mixed and incubated for 30 min at 30&deg;C. Next, the reaction was started by the addition of ATCI solution. The increase in absorbance at 412 nm was measured every 11 s for 220 s. Reaction velocities were determined from the slopes of the linear portions of the graphs of time versus concentration of 5-thio-2-nitrobenzoate. All assays were done in triplicate.
8098	1	Fluorescence-Based PFTase Inhibition Assay	Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on a Wallac Victor fluorimeter from PerkinElmer. Per well, 20 &#956;L of farnesyl pyrophosphate (10 &#956;M) was added to 180 &#956;L of a solution containing 2 &#956;L of varied concentrations of tested compounds (dissolved in methanol) and 178 &#956;L of a solution composed by 0.1 mL of partially purified recombinant yeast FTase (2.2mg/mL) and 7.0 mL of Dansyl-GCVLS peptide (in the following buffer: 5.8 mM DTT, 12 mM MgCl2, 12 &#956;M ZnCl2, and 0.09% (w/v) CHAPS, 53 mM Tris/HCl, pH 7.5). Then the fluorescence development was recorded for 15 min (0.7 s per well, 20 repeats) at 30°C with an excitation filter at 340 nm and an emission filter at 486 nm.
8099	1	Urease Inhibition Assay	The inhibition studies of soybean urease were initiated with boric acid and boronic acids (butylboronic acid, 4-bromophenylboronic acid, and phenylboronic acid). Also, heavy metal ions (HgCl2, AgCl, and Cu(CH3COO)2) and sodium salts of mineral acids (NaF, NaCl, NaNO3, and Na2SO4) were investigated for their inhibitory effects. Stock solutions of inhibitors, except for 4-bromophenylboronicacid, were prepared in 0.05 M Tris-acetate buffer, pH 7.0, and were suitably diluted for experiments, whereas a stock solution of 4-bromophenylboronic acid was prepared in absolute ethanol and subsequently diluted in respective buffer. The activity assay was carried out at standard conditions as described earlier in the presence of varying concentrations of inhibitors. The yellow-orange colored solution was measured at 405 nm on a Unicam UV-2 spectrophotometer. The amount of NH3 liberated in the reaction mixture was estimated by calibrating Nessler's reagent with standard NH4Cl solution. One enzyme unit is defined as the amount of urease required to liberate 1 &#956;mol of ammonia per minute under our test conditions (0.1 M urea, 0.05 M Trisacetatebuffer, pH 7.0, 37&deg;C).
8100	1	Fluorescence Resonance Energy Transfer (FRET)-Based Assay	The assay was performed with plasmepsin-II/cathepsin D (1.2 nM) and substrate (malaria FRET-1; 1.0 &mu;M) in 0.1 M sodium acetate buffer pH 5, containing 10% glycerol and 0.01% Tween 20. The hydrazide and hydrazine compounds dissolved in DMSO were added in the reaction mixture before the addition of substrate. The assays were performed with 5% final concentration of DMSO. The enzyme inhibition experiments were performed (in triplicates) in 96-well plate format and readings were obtained on a Perkin Elmer LS55 fluorescence spectrometer, Waltham, Massachusetts, with an excitation and emission wavelengths of 336 and 490 nm respectively.
8101	1	Urease Inhibition Assay	The synthesized compounds (4a-e, 5a-e) were tested for their in vitro urease inhibition activities at 0.2 mM concentration against jack bean urease. The ureaseinhibition activity was determined according to literature protocols [Serwar et al., ARKIVOC, vii:210-21] using thiourea as the standard inhibitor.
8102	1	In Vitro Assay	In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxicam (0.02-0.285 mM), furosemide (0.03-0.6 mM), methotrexate (0.036-0.55 mM), metochloropramide hydrochloride (0.83-8.335 mM), ritodrine hydrochloride (1.54-15.4 mM), and gadopentetic acid (24.99-249.935 mM) were added to the reaction mixture and the enzyme activity was measured. An experiment in the absence of drug was used as control (100% activity)
8103	1	AChE Inhibition Assay	The reaction was carried out at 37°C in 70 mM phosphate buffer (Na2HPO4/NaH2PO4, pH 7.4) containing the enzyme (20 &#956;l volume, diluted 100 times in phosphate buffer, pH 7.4), DTNB (5,5-dithiobis(2-nitrobenzoic acid)) (10&#8722;4M concentration) and ATCh (1.35 × 10&#8722;4M concentration). The absorbance change at 37°C was monitored with the spectrophotometer at 412 nm for 3 min. and three replicates were run in each experiment.
8104	1	Antiamidolytic Assay	Quantities of 0.2 mL of examined preparation (as control, 0.15 M NaCl), buffer, and 0.1 mL of enzyme solution were mixed together. The mixture was incubated at 37°C for 3 min then the synthetic substrate solution in the same buffer was added. After 20 min of incubation, the reaction was stopped by adding 0.1 mL of 50% acetic acid, and the absorbance of the released p-nitroaniline was measured at 405 nm.
8105	1	In Vitro Tyrosinase Inhibition Assay	Tyrosinase inhibition assays were performed in a 96-well microplate format using the SpectraMax 340 microplate reader (Molecular Devices, CA) according to the method developed by Hearing [Khan et al., Pure Appl. Chem., 79:2277-2295]. First the samples were screened for the o-diphenolase inhibitory activity of mushroom tyrosinase (Lyophilised, &#8805;2000 units/mg, Sigma, Montana, USA) using L-3,4-dihydroxyphenylalanine (L-DOPA) (Sigma) as substrate. All the active samples from the preliminary screening were subjected to half maximal inhibitory concentration (IC50) studies. The samples were dissolved in methanol/DMSO to a final concentration of 0.5%. At higher concentrations like 3.3-6.7% DMSO shows a dose dependent inhibitory activity against the enzyme tyrosinase [Yu et al., J. Agric. Food Chem., 51:2344-2347]. So the final concentration for DMSO at 0.5% should be comparatively safe. Thirty units of mushroom tyrosinase (28 nM) were preincubated with the test compounds in 50 nM Na-phosphate buffer (pH 6.8) for 10 min at 25&deg;C. Then the L-DOPA (0.5 mM) was added to the reaction mixture and the reaction was monitored by measuring the change in absorbance at 475 nm (at 37&deg;C) due to the formation of the DOPA chrome for 10 min.
8106	1	Pharmacological In Vitro Assay	Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPAR&#947; construct (GST-PPAR LBD (25 &#956;g/mL)) expressed in bacteria with some modifications regarding the conditionsof the experiments. The membrane-associated PPAR&#947; was used as the biological source as previously described. Binding buffer consisted of 10 mM Tris/HCl, pH 8.2, containing 50 mM KCl and 1 mM dithiothreitol. Membrane preparations (5 &#956;g/mL) were incubated for 180 min at 4&deg;C in the presence of [3H]rosiglitazone (BRL49653, Amersham) (4 nM) and the tested compounds. Nonspecific binding was defined using an excess of unlabeled rosiglitazone (10 &#956;M). Incubation was terminated by the addition of ice-cold 50 mM Tris/HCl buffer pH 7.4, followed by rapid filtrationunder reduced pressure through Whatman GF/C filter plates presoaked with ice-cold buffer, followed by three successive washes with the same buffer. Radioactivity was measured in a TopCount apparatus (Packard).
8107	1	GST Assay	A range of natural products were screened for inhibition of PfGST by GST assay with CDNB as a substrate, using a 96-well SpectraMax 340 microplate spectrophotometer equipped with a kinetics mode (Molecular Devices, California). The final concentration of CDNB was 0.5 mM and of GSH was 1mM. Ethacrynic acid (ETA) and haemin were used as positive controls. The incubation temperature was 30°C. The final concentration of organic solvent in the inhibition assays was 2.5%. Initially the natural plant compounds were tested at arbitrary concentrations of 33 &#956;M and 100 &#956;M.
8108	1	ICL Enzyme Assay	Isocitrate lyase activity was determined at 37&deg;C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 67:818-23]. The reaction mixture contained 100 &#956;L of 0.5 mM potassium phosphate buffer, 1.2 &#956;L of 1 mM magnesium chloride, 24 &#956;L of 100 mM 2-mercaptoethanol, 7 &#956;L of 4 mM phenylhydrazine hydrochloride, 6 &#956;L of 50 mM trisodium isocitric acid, and ICL enzyme (usually 3-6 &#956;L). This mixture was made up to 200 &#956;L with MilliQ water (water that has been purified and deionized to a high degree by a water purification system manufactured by Millipore Corporation). At the end of the 10th minute this reaction mixture was made up to 1 mL and ultraviolet (UV) absorbance was measured at 324 nM, which served as a control. For the test compounds, 3 &#956;L of 100 mM 3-nitropropionic acid (3-NPA) was used, and in the case of the candidate molecules, 10 &#956;L of 10 mM concentration was added to the abovementioned reaction mixture. At the end of the 10th minute this reaction mixture was made up to 1 mL and UV absorbance was measured at 324 nM, which served as the test.
8110	1	In Vitro Inhibition Assay	Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydrochloride, and gadobenate-dimeglumine were used as inhibitors. In the media with inhibitor or without inhibitor, the substrate concentrations were 0.012 mM, 0.030 mM, 0.060 mM, 0.120 mM, and 0.450 mM. Inhibitor solutions were added to the reaction medium, resulting in three different fixed concentrations of inhibitors in 1 ml total reaction volume.
8111	1	[3H]SR142801 Competition Binding Assay	hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. After thawing, the membrane homogenates were centrifuged at 48,000&times;g for 10 mM at 4&deg; C., the pellets were resuspended in the 50 mM Tris-HCl, 4 mM MnCl2, 1 &mu;M phosphoramidon, 0.1% BSA binding buffer at pH 7.4 to a final assay concentration of 5 &mu;g protein/well. For inhibition experiments, membranes were incubated with [3H]SR142801 at a concentration equal to KD value of radioligand and 10 concentrations of the inhibitory compound (0.0003-10 &mu;M) (in a total reaction volume of 500 &mu;l) for 75 min at room temperature (RT). At the end of the incubation, membranes were filtered onto unitfilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.3% PEI+0.3% BSA, Packard BioScience, Meriden, Conn.) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with ice-cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 &mu;M SB222200 for both radioligands. The radioactivity on the filter was counted (5 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 &mu;l of microscint 40 (Canberra Packard S.A., Z&uuml;rich, Switzerland) and shaking for 1 h.
8112	1	Enzymatic Assay	Enzyme activities were determined kinetically in a final volume of 200 &mu;l for 10 minutes at 37&deg; C. by measuring the initial velocities of pNA release (405 nm) from the substrate using a Spectramax plus microtiterplate reader (Molecular devices). One unit of enzyme activity was defined as the amount of enzyme that catalyzes the release of 1 &mu;mol pNA from the substrate per minute under assay conditions. The chromogenic substrate Gly-Pro-p-nitroanilide (100 &mu;mol/l) was used at pH 8.3 for DPP IV, Lys-Ala-p-nitroanilide (1 mmol/l) at pH 5.5 for DPP II, Ala-Pro-p-nitroanilide (300 &mu;mol/l) at pH 7.4 for DPP9 and Ala-Pro-p-nitroanilide (2 mmol/l) at pH 7.4 for FAP activity measurement. To evaluate the endopeptidase activity of FAP and the influence of inhibitors thereon, Z-Gly-Pro-AMC and Z-Gly-Pro-p-nitroanilide were used at a final concentration of 300 and 100 &mu;mol/l, respectively. The substrate concentrations were chosen around the Km value obtained under the assay conditions used. Buffer compositions for the DPP assays were reported before in the purification articles&minus;vide supra. The FAP assay buffer consisted of 50 mM Tris pH7.4 containing 100 mmol/l NaCl and 0.1 mg/ml bovine serum albumin. The PREP activity was measured as described by Brandt et al. using the chromogenic substrate Z-Gly-Pro-p-nitroanilide (0.25 mmol/l) at pH 7.5 in the presence of 10 mmol/l DTT. Test compounds were dissolved and diluted in DMSO (final concentration DMSO during assay 5% v/v) except for FAP where dilution of the inhibitor was done in water. Inhibitors are pre-incubated with the enzyme for 15 min at 37&deg; C. before starting the assay by the addition of substrate. The concentration of enzyme and of inhibitor during the preincubation is double of the final concentration during activity measurement.
8114	1	Ca Flux Activity Assay	The 5-HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux activity of 3HT3a receptor expressed in HEK-293T cells. HEK-293T cells were transfected with the 5-HT3a expression construct using Xtreme Gene 9 (Roche) in 150 mm tissue culture treated plates and incubated for 24 hours at 37&deg; C. Cells were then split and plated at a density of 60K cells/well in poly-lysine coated, black 96-well plates with clear bottoms (BD BioSciences) and incubated overnight at 37&deg; C. Growth media was removed and cells loaded with 200 &mu;L calcium indicator dye in HBSS containing 20 mM HEPES (Calcium 5 Assay kit, Molecular Devices) and incubated at 37&deg; C. for 1 hour. While cells were incubating, the 10&times; antagonist and agonist/antagonist addition plates were made. For 10&times; antagonist plate: half log serial dilutions (final concentrations range from 10^&minus;7 through 10^&minus;10 with the bottom well a negative, no ligand control) were made from test compounds in DMSO at a 1000&times; concentration and then diluted to 10&times; in HBSS/20 mM HEPES. For addition plate: 5HT was diluted to 100&times; in HBSS/20 mM HEPES (final concentration in the assay&minus;216 nM) and 15 &mu;L was added to each well of the addition plate, 15 &mu;L of 10&times; compound was also added to the addition plate, and finally 120 &mu;L of HBSS/20 mM HEPES (for a total of 150 &mu;L). Cells were then removed from the incubator and equilibrated to room temperature for 10 minutes, then 22.5 &mu;L of 10&times; test compounds were added in triplicate to the plates and incubated at room temperature for 10 minutes (Tropisetron was used as a positive control in every assay). Test plate and addition plate were loaded into the FlexStation III (Molecular Devices), and using the fluidics, 22.5 &mu;L compound additions were made (at t=~17 seconds), and fluorescence was measured for 90 seconds, reading every 2.2 seconds.
8115	1	Active  ERK2 (aERK) Assay	Activated ERK2 activity was also determined in the IMAP assay format using the procedure outlined above. 1 &mu;l of 25&times; compound was added to 14 &mu;l of kinase buffer containing 0.25 ng fully phosphorylated, active Mouse ERK2 protein. Following a 30 minute incubation, the reactions were initiated by addition of 10 &mu;l of kinase buffer containing 1 &mu;M ERK2 IMAP substrate peptide (0.9 &mu;M unlabeled IPTTPITTTYFFFK-CONH2 and 100 nM IPTTPITTTYFFFK(5-carboxyfluorescein)-CONH2) and 30 &mu;M ATP. Reactions proceeded for 30 minutes before termination by addition of 60 &mu;l IMAP detection beads in binding buffer. Plates were read as above after 30 minute binding equilibration. Active compounds were reconfirmed in an independent assay.
8116	1	Reductase Activity Assay	The HMGR activity was performed using HMG-CoA reductase assay kit from Sigma-Aldrich with the human recombinant protein or 100 &#956;g total cell lysates from A549 cells. Lovastatin was used as a positive control, and SAHA as a negative control. HMGR activity under defined assay conditions, containing NADPH and HMG-CoA substrate in a final volume of 0.2 mL of 100 mM potassium phosphatate buffer (120 mM KCl, 1 mM EDTA, 5 mM DTT, pH 7.4), were initiated in the presence or absence (control) of test compounds dissolved in dimethylsulfoxide (DMSO). The rates of NADPH consumption were monitored every 20 seconds, for up to 10 minutes, by spectrophotometer at 37° C. and 340 nm. 
8116	2	Fluorescent Activity Assay	The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer&#39;s instructions. Briefly, recombinant proteins of HDAC1 or HDAC6 were incubated with test compounds, and HDAC reaction was initiated by addition of Fluor-de-Lys substrate. Samples were incubated for 10 min at room temperature, followed by adding developer to stop the reaction. Fluorescence was measured by fluorometric reader with excitation at 360 nm and emission at 460 nm. The HDAC activity was expressed as arbitrary fluorescence units (AFU). 
8117	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 &mu;M final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 &mu;M final concentration). Final volume of the reaction was 10 &mu;L. Phosphorylation of the peptide was allowed to proceed for 45' at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20. Final volume of the quenching solution was 10 &mu;L. The resulting HTRF signal was measured after 30 minutes on an EnVision (Perkin-Elmer) reader using a time-resolved fluorescence protocol.
8118	1	Enzymatic Assay	Lysosomal NAAA protein preparation were obtained by homogenizing male Sprague-Dawley rat lungs (Charles River) in 20 mM Tris-HCl buffer pH 7.4 containing 0.32M sucrose. Samples were centrifuged at 800×g for 15 minutes at 4° C. Supernatants were then centrifuged at 12,000 g for 30 minutes at 4° C. Pellets were then resuspended in PBS pH 7.4 and subjected to a freeze/thaw cycle at &#8722;80° C. The suspension was finally centrifuged at 105,000×g for 1 hour at 4° C. The supernatant was then used in the enzymatic assay.
8118	2	UPLC/MS Assay	NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodium Citrate Dehydrate, 0.1% Triton-X 100, 3 mM DTT, pH 4.5 for 30 min at 37&deg; C. Duplicate samples were then incubated with 50 uM C17:1 10-cis-heptadecenoylethanolamide (Avanti Polar Lipids, Alabaster, Ala. USA) at 37&deg; C. for 30 minutes. The reaction was terminated by the addition of 0.2 mL of cold methanol containing 1 nmol of heptadecanoic acid (NuChek Prep, Elysian, Minn. USA) as internal standard. Samples were then analyzed by UPLC/MS. Heptadecenoic and heptadecanoic acids were eluted on an Acquity UPLC BEH C18 column (50 mm length, 2.1 mm i.d., 1.7 um pore size, Waters) isocratically at 0.5 mL/min for 1.5 min with a solvent mixture of 95% methanol and 5% water, both containing 0.25% Acetic Acid and 5 mM Ammonium Acetate. The column temperature was 40&deg; C. Electrospray ionization was in the negative mode, capillary voltage was 0.5 kV, cone voltage was 25 kV, desolvation temperature was 500&deg; C. N2 was used as drying gas at a flow rate of 1000 L/hour and a temperature of 500&deg; C. The [M-H]- ion was monitored in the selected-ion monitoring mode (m/z values: heptadecenoic acid 267.37, heptadecanoic acid 269.37). Calibration curves were generated using commercial heptadecenoic acid (NuCheck Prep). Inhibition of NAAA activity was calculated as reduction of heptadecenoic acid in the samples compared to vehicle controls. IC50 values were calculated by non-linear regression analysis of log [concentration]/inhibition curves using GraphPad Prism 5 (GraphPad Software Inc., CA-USA) applying a standard slope curve fitting.
8118	3	Fluorogenic Assay	The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 &#956;L. NAAA protein preparation (4.0 &#956;g) was pre-incubated for 10 min with various concentrations of test compounds or vehicle control (5% DMSO) in 100 mM citrate/phosphate buffer (pH 4.5) containing 3.0 mM DTT, 0.1% Triton X-100, 0.05% BSA, 150 mM NaCl. N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide was used as a substrate (5.0 &#956;M) and the reaction carried over for 30 min at 37° C. The samples were then read in a Perkin Elmer Envision plate reader using an excitation wavelength of 360 nm and emission 460 nm.
8119	1	Cellular Enzyme Assay	The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate. G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &mu;g/ml G418 (Geneticin) at 37&deg; C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 &mu;M 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
8120	1	Homogeneous Time Resolved Fluorescence Assay	The sGC cellular activator assay is performed in the presence and absence of 50% human serum (HS) using Chinese hamster ovary cells that have been stably transfected to express the human soluble guanylate cyclase alpha 1 and beta 1 subunits (sGC). Cells are preincubated with 40 microM 1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one (ODQ), an sGC inhibitor, for one h in buffer containing 0.1% bovine serum albumin and 3-isobutyl-1-methylxanthine (IBMX). Concentration response curves are prepared for test compounds in DMSO. An intermediate dilution of the compounds is performed in either buffer containing IBMX or type AB HS containing IBMX. Diluted compounds are added to cells and they are incubated at room temperature for thirty min. cGMP is measured using a CisBio homogeneous time resolved fluorescence kit and the EC50 is calculated for each compound.
8121	1	Inhibition Assay	Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 &#956;M of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 mM dithiothreitol (DTT) at 37° C. for 30 minutes. Then 0.05 mM acyl peptides (H3K9Ac for Sirt1, Sirt2 and Sirt3; H3K9Su for Sirt5; H3K9Myr for Sirt6 and Sirt7) were added to initiate the reactions. The total reaction volume iwas 60 mL. Then reactions were incubated at 37° C. for a certain amount of time (2 minutes for Sirt1, 10 minutes for Sirt2 and Sirt5, 30 minutes for Sirt3, and 1 hour for Sirt6 and Sirt7). The reactions were stopped by adding 60 mL of an aqueous solution containing 200 mM HCl and 320 mM acetic acid. After centrifugation to remove precipitated proteins, the supernatant was analyzed by HPLC with a reverse phase C18 column (250×4.6 mm, 90 A, 10 mm, GraceVydac, Southborough, Mass.), with a linear gradient of 0% to 20% B for 10 minutes (1 mL/min). 
8122	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco's Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &mu;g/ml hygromycin and 15 &mu;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland). bout 24 hrs before an experiment, 5&times;10^4 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &mu;M Fluo-4AM in loading buffer (1&times;HBSS, 20 mM HEPES) for 1 hr at 37&deg; C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37&deg; C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist L-glutamate was added to the cells at a concentration corresponding to EC20 (typically around 80 M) with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of glutamate was determined immediately ahead of each experiment by recording of a full dose-response curve of glutamate.
8122	2	Binding Assay	For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and Christensen [Cytotechnology 15:1-13 (1998)]. Cell membrane homogenates were stored at &#8722;80° C. until the day of assay where upon they were thawed and resuspended and polytronised in 15 mM Tris-HCl, 120 mM NaCl, 100 mM KCl, 25 mM CaCl2, 25 mM MgCl2 binding buffer at pH 7.4 to a final assay concentration of 20 &#956;g protein/well.Saturation isotherms were determined by addition of twelve [3H]MPEP concentrations (0.04-100 nM) to these membranes (in a total volume of 200 &#956;l) for 1 h at 4° C. Competition experiments were performed with a fixed concentration of [3H]MPEP (2 nM) and IC50 values of test compounds evaluated using 11 concentrations (0.3-10,000 nM). Incubations were performed for 1 h at 4° C.
8123	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
8123	2	Electrophysiology Assay	For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and the osmolarity adjusted to 320) or Tyrodes salt solution (Sigma, USA) supplemented with 10 mM HEPES (pH adjusted to 7.4 with NaOH; osmolarity=320). The internal pipette solution contained (in mM): NaCl (10), CsF (140), CaCl2 (1), MgCl2 (5), EGTA (11), HEPES (10: pH 7.4, 305 mOsm). Compounds were prepared first as a series of stock solutions in DMSO and then dissolved in external solution; DMSO content in final dilutions did not exceed 0.3%. At this concentration, DMSO did not affect sodium currents. Vehicle solution used to establish base line also contained 0.3% DMSO.
8113	1	Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L) was mixed with 20 &#956;M fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 &#956;L) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm. The Ki value was calculated from the concentration of the test compound, reciprocal of reaction rate, and Km value of the enzyme substrate, and by using Dixon plot.
8113	2	Inhibition Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L), 400 mM Tris-HCl buffer (pH 8.0, 25 &#956;L) and 0.5 mg/mL fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-&#946;-Naphtylamide, 25 &#956;L) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm. The Ki value was calculated from the concentration of the test compound, reciprocal of reaction rate, and Km value of the enzyme substrate, and by using Dixon plot. 
8124	1	Enzyme Kinetic Assay	The inhibition of the HLE was studied at 25°C by continuously monitoring the absorbance at 410 nm for 20 min of a solution prepared by mixing 10 &#956;L of HLE stock solution (2 &#956;M in 0.05M acetate buffer, pH 5.5) with a solution containing 10 &#956;L of 5 in DMSO, 20 &#956;L of MeOSuc-Ala-Ala-Pro-Val-p-NA (50 mM in DMSO) and 960 &#956;L of 0.1M pH 7.2 HEPES buffer. Control assays, in which the inhibitor was omitted, ran linearly.
8125	1	CB1 Receptor Binding Assay (In Vitro)	The target compounds were evaluated using a binding assay towards the CB1 receptor expressed on the membranes of Chinese hamster ovarian (CHO) cells. Rimonabant was used as the positive control and DMSO was used as the blank control. The potent synthetic cannabinoid agonist, [3H]-CP55940, was used as a radioligand (Figure 1). The CHO cells were incubated in 96-well microtiter plates. Various concentrations of the synthesised cannabinoid ligands were added and incubated for 10 min at 37°C. Then the [3H]-CP55940 was added at a final concentration of 1.7 nM and incubated for another 30 min at 37°C. The cells were lysed and scintillation fluid was added. The radioactivity was quantitated by liquid scintillation spectrometry [Menozzi et al., Eur. J. Med. Chem., 43:2627-2638]. There were three parallels in the tests.
8126	1	Kinetic Inhibition Assay	LAP was assayed in 75 mM triethanolamine hydrochloride buffer (pH = 8.4, containing 5 mM MgCl2) at 25°C. The substrate (L-leucine-p-nitroanilide) was dissolved in DMSO and added to the assay buffer followed by the enzyme. The hydrolysis of the substrate was monitored by the change in absorbance measured at 405 nm. All the inhibitor solutions were prepared in the assay buffer. The assay solution, which contained 0.05 mL of the substrate solution (0.2, 0.4, 0.6, 0.8, 1 mM final concentrations), 0.25 mL of an inhibitor solution (concentration dependent on the inhibitor), the enzyme solution (20 &#956;g/ml final concentration) and adjusted to a 1 mL final volume.
8127	1	EGFR Inhibition Assay	Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 &#956;L of compound was incubated with 10 &#956;L (12.5 ng for HER-2 or 5 ng for EGFR) of recombinant enzyme (1:80 dilution in 100 mM HEPES) for 10 min at room temperature. Then, 10 &#956;L of 5 mM buffer (containing 20 mM HEPES, 2 mM MnCl2, 100 &#956;M Na3VO4, and 1 mM DTT) and 20 &#956;L of 0.1 mM ATP-50 mM MgCl2 was added for 1 h. Positive and negative controls were included in each plate by incubation of enzyme with or without ATP-MgCl2. At the end of the incubation period, the liquid was aspirated, and plates were washed three times with wash buffer. A 75 &#956;L (400 ng) sample of europium labeled anti-phosphotyrosine antibody was added to each well for a further 1 h of incubation. After washing, enhancement solution was added and the signal was detected by Victor (Wallac, Massachusetts, USA) with excitation at 340 nm and emission at 615 nm.
8128	1	Enzyme Inhibition Assay	IC50 values for compounds 8, 15a, 15b, 16 and 17 determined with a microplate assay [Rhee et al., J. Chromatogr., 915:217-223] using lyophilised Electrophorus electricus AChE (Type VI, Sigma-Aldrich, MO).
8129	1	Hydratase Activity Assay	The carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J. Biol. Chem., 176:147-154].
8129	2	Esterase Activity Assay	The carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of the 4-nitrophenylacetate (NPA) to the 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-VIS, Rome, Italy) according to the method described in the literature [Verpoorte et al., J. Biol. Chem., 242:4221-4229; Innocenti et al., Bioorg. Med. Chem. Lett., 18:2267-2271]. The enzymatic reaction, in a total volume of 3 mL, contained 1.4 mL of 0.05 M tris-SO4 buffer (pH 7.4), 1 mL of 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution.
8129	3	Enzyme Activity Assay	The method for determination of the Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; B lb l et al., J. Enzyme Inhib. Med. Chem., 18:371-375; Ciftci et al., J. Enzyme Inhib. Med. Chem., 20:103-109; Hiscar et al., J. Appl. Anim. Res., 30:185-188; Winum et al., Bioorg. Med. Chem. Lett., 15:3302-3306].
8130	1	TACE Assay	The TACE assay was carried out in 25 mM Tris-HCl buffer (pH 9, 2.5 &#956;M ZnCl2 and 0.005% Brij-35). Then, 15ng TACE was added to buffer solution containing 140&#956;MTACE peptide substrate at a final volume of 50 &#956;L. After incubation for 15 min at 37°C, the reaction was stopped with 25 &#956;L of 1% TFA. An aliquot of 25&#956;L of internal standard solution was then added and the solution mixture was analysed by HPLC. GM6001 and inhibitor A were evaluated under the standard assay conditions. The 15ng TACE was added to 30 &#956;L of 25mM tris-HCl buffer (pH 9, 2.5 &#956;M ZnCl2, 0.005% Brij-35) containing varying concentrations of GM6001 (0, 20, 80, 120, 200, 300, 600, 1500, 2500 nM) or inhibitor A (0, 15, 45, 90, 120, 165, 300, 600, 1200 nM). After incubation for 10 min at 37°C, 2&#956;L of the 3.5nM TACE substrate was added. The final volume was adjusted to 50 &#956;L and the final concentration of the peptide substrate was 140 &#956;M.
8130	2	MMP-9 Assay	The MMP-9 assay was performed in 50 mM Tris-HCl buffer (pH 7.5, 10mM CaCl2, 150mM NaCl, 0.05% Brij-35). Then, 30ng Active MMP-9 was added to 50 &#956;L of MMP-9 substrate solution (120 &#956;M). After incubation for 25 min at 37°C, the reaction was stopped with 25 &#956;L of 1% TFA. An aliquot of 25 &#956;L internal standard solution was then added and the solution mixture was analysed by HPLC. Then 30ng MMP-9 was added to 30 &#956;L of 50mM Tris-HCl buffer (pH 7.5, 10 mM CaCl2, 150 mM NaCl, 0.05%Brij-35) containing varying concentrations of GM6001 (0, 30, 60, 100, 300, 600, 1000, 2000, 4000 pM ) or inhibitor A (0, 15, 60, 105, 165, 900, 1500, 1800, 2100 nM). After incubation for 30 min at 37°C, 2 &#956;L of 3 nM MMP-9 substrate was added. The final volume was adjusted to 50 &#956;L and the final concentration of the peptide substrate was 120 &#956;M.
8131	1	Hydratase Activity Assay	Carbonic anhydrase (CA) activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J. Biol. Chem., 176:147-154].
8131	2	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-vis) according to the method described in the literature [Verpoorte et al., J. Biol. Chem., 242:4221-4229; Innocenti et al., Bioorg. Med. Chem. Lett., 18:2267-2271]. The enzymatic reaction, in a total volume of 3 mL, contained 1.4 mL of 0.05 M tris-SO4 buffer (pH 7.4), 1 mL of 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without any enzyme solution.
8131	3	Enzyme Activity Assay	The Ki values were determined as described in the literature [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; B lb l et al., J. Enzyme Inhib. Med. Chem., 18:371-375; Ciftci et al., J. Enzyme Inhib. Med. Chem., 20:103-108; Hisar et al., J. Appl. Anim. Res., 30:185-187; Winum et al., Bioorg. Med. Chem. Lett., 15:3302-3306].
8132	1	Cholinesterase Inhibition Assay	Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25&deg;C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Biochem. Pharmacol., 7:88-95]. Product formation was monitored over 5 min. Assay buffer was 100 mM sodium phosphate, 100 mM NaCl, pH 7.3. Enzyme stock solutions were prepared with assay buffer in the following concentrations &#8764; 100 U/mL (EeAChE),&#8764; 3 U/mL (hAChE), &#8764; 10 U/mL (hBChE), and were kept at 0&deg;C. Appropriate dilutions of the EeAChE (1:30) and hBChE (1:10) solutions were done immediatelybefore starting the measurements. Solutions of ATCh (5, 10, 15, or 20 mM), BTCh (10 mM), and DTNB (7 mM) were prepared in assay buffer and kept at 0&deg;C. Stock solutions of the inhibitors were prepared in acetonitrile. EeAChE was assayed as follows. Into a cuvette containing 830 &#956;L assay buffer, 50 &#956;L of the DTNB solution, 50 &#956;L acetonitrile, 10 &#956;L of an inhibitor solution, and 10 &#956;L of an enzyme solution were added and thoroughly mixed. After incubation for 15 minat 25&deg;C, the reaction was initiated by adding 50 &#956;L of the ATCh solution. The following final concentration were used, &#8764; 0.033 U/mL of EeAChE, 250, 500, 750, or 1000 &#956;M of ATCh, 350 &#956;M of DTNB, 6% acetonitrile. Similarly, hAChE (final concentration &#8764; 0.03 U/mL) was assayed with 500 &#956;M ATCh, and hBChE (finalconcentration &#8764; 0.01 U/mL) with 500 &#956;M BTCh. The rates of enzyme-catalyzed substrate hydrolysis were corrected by those of the non-enzymatic hydrolysis ofATCh or BTCh, respectively, as determined by using 10 &#956;L of assay buffer, instead of the enzyme solution. A Km value of 550 &#956;M19 for the substrate ATCh used in the EeAChE assay was taken for kinetic analyses.
8133	1	Lipoxygenase Activity Assay	Lipoxygenase activity was measured in borate buffer solutions (0.1 M, pH 9) using the method described in the literature [Malterud et al., J. Agric. Food Chem., 48:5576-5580; Malterud et al., Pharmacology, 47:77-85], by measuring the absorbance at 234 nm for 60 s after addition of the enzyme (soybean 15-lipoxygenase) and linoleic acid (final concentration: 134 &#956;M) as substrate at 20 &plusmn; 1&deg;C. The final enzyme concentration was 167 U/mL. The synthesised substances were added as DMSO solutions (final inhibitor concentrations: 200, 100, 50, 25, 12.5, 6.25, 3.12 and 1.5 &#956;M; final DMSO concentration 1%); whereas DMSO was added in the control experiments with no inhibitor. The mixture of each inhibitor and linoleic acid were set as the blank sample in the testing step. At least six control test tubes and three tubes for each inhibitor solution were measured. To ensure a constant enzyme activity throughout the experiment, the enzyme solution was kept on ice, and the controls were measured at regular intervals.
8134	1	In Vitro Assay	Human erythrocyte AChE or human plasmatic BChE (Prague, Aldrich; commercially purified by affinity chromatography) were suspended into phosphate buffer (pH 7.4) up to a final activity of 0.002 U/&#956;L. Cholinesterase (5 &#956;L), freshly mixed solution of 0.4 mg/mL 5,5&#39;-dithio-bis(2-nitrobenzoic) acid (40 &#956;L), 1 mM acetylthiocholine chloride in phosphate buffer (20 &#956;L) and the appropriateconcentration of the inhibitor (1 mM-0.1 nM; 5 &#956;L) were injected into each well. The absorbance was measured at 412 nm after 5 minutes incubation using automatedshaking of the microplate. All measurements were performedin triplicate.
8135	1	Radioligand Binding Assay	Briefly, receptor source and radioligand used were human recombinant expressed in HEK-293 cells and [3H] LSD (60&#150;80 Ci/mmol), respectively. The final ligand concentration was 1.5 nM and non-specific determinant was methiothepin mesylate (0.1 &#956;M). The reference compound and positive control was methiothepin mesylate. Reactions were carried out in 50 mM TRISHCl (pH 7.4) containing 10 mM MgCl2, 0.5 mM EDTA for 60 min at 37 °C. The reaction was terminated by rapid vacuum filtration onto glass fibre filters.
8135	4	Isoform-Selective Assay	The cytochrome P450 inhibitory potential was determined using isoform-selective assays and heterologously expressed human CYP2D6 and CYP3A4.
8136	1	In Vitro Kinase Assay	Inhibition of kinase activity against a variety of recombinant kinases [FLT3, FLT3 D835Y, anaplastic lymphoma kinase (ALK), insulin receptor, and epidermal growthfactor receptor (EGFR)] was measured using homogeneous time-resolved fluorescence (HTRF) assays [Choi et al., Bioorg. Med. Chem. Lett., 20:2033-2037]. Assays consist of enzymes mixed with serially diluted compounds and peptide substrates in a kinase reaction buffer (250 mM HEPES (pH 7.0), 0.5 mM orthovanadate, 0.05% bovine serum albumin, 0.1% NaN3). Following the addition of reagents for detection, the TR-FRET signal was measured using an EnVision multi-label reader (Perkin Elmer, Waltham, MA).
8137	1	Tyrosinase Inhibition Assay	In brief, a 10 &#956;L sample was added to an assay mixture containing with 10 &#956;L tyrosinase solution (0.5 mg/mL) and 900 &#956;L phosphate buffer (pH 6.8) to a total volume assay mixture of 920 &#956;L, for 20 min at 25°C. Then 80 &#956;L of L-dopa (1.50 mg/mL) was added to the reaction mixture and the enzyme reaction was monitoredby measuring the change in absorbance at 475 nm of the L-dopa for 1 min.
8138	1	UDP-glucuronosyltransferase Activity Assay	Refer to Fisher et al., Drug Metab. Dispos., 28:560-566.
8139	1	Urease Inhibition Assay	Reaction mixtures comprising 25 &#956;L of enzyme (jack bean urease) solution and 55 &#956;L of buffers containing 100 mM urea were incubated with 5 &#956;L of test compounds (0.5 mM concentration) at 30°C for 15 min in 96-well plates. Urease activity was determined by measuring ammonia production using the indophenol method as described by weather burn14. Briefly, 45 &#956;L each phenol reagent (1% w/v phenol and 0.005% w/v sodium nitroprusside) and 70 &#956;L of alkali reagent (0.5% w/v NaOH and0.1% active chloride NaOCl) were added to each well. The increasing absorbance at 630 nm was measured after 50 min, using a microplate reader (Molecular Device). All reactions were performed in triplicate in a final volume of 200 &#956;L.
8140	1	AChE Inhibition Bioassay	AChE enzymatic activity was measured using an adaptation of the method previously described [Ingkaninan et al., J. Ethnopharmacol., 89:261-264]; 98 &#956;l of 50 mM Tris-HCl buffer (pH 8), 30 &#956;l of a solution sample of the inhibitor, at different concentrations in methanol, and 7.5 &#956;l of AChE solution containing 0.26 U/ml were mixed in a microplate and left to incubate for 15 min. Subsequently, 22.5 &#956;l of 0.023 mg/ml AChI and 142 &#956;l of 3 mM DTNB were added. The initial rate of the enzymatic reaction was followed by reading the absorbance at 405 nm during the first 5 min of reaction. Samples were prepared in a range of concentrations of the compounds in water (choline caffeate, choline trolox, choline cinnamate) or in an aqueous solution of 50% methanol (choline 3,4-dimethoxicinnamate, choline rosmarinate). A control reaction was carried out using the sample solvent instead of sample and it was considered 100% activity.
8141	1	LOX Activity Assay	Enzyme activity was monitored by UV analysis. 0.05 cm^3 of enzyme solution was added to a cuvette containing 2 cm^3 linoleic acid solution and the appropriate amounts of buffer and inhibitor solutions in thermostatic water bath at 25&deg;C. There was no pre-incubation time of the enzyme with inhibitor solution. The activity of the enzyme was determined by monitoring the increase in the absorption caused by the oxidation of linoleic acid at 234 nm and 25&deg;C (&epsilon; = 25 000 M^&minus;1 cm^&minus;1). One standard solution of complexes in DMSO (10^-2 M) was used for theinhibition activity experiments (three sets). In this case, the substrate concentration was kept constant (0.3 mM), while the amounts of buffer and inhibitor solutions varied according to the inhibitor final concentration needed(0.5-30 &mu;M or 0.15-9 &mu;L from standard solutions). The total experiment volume was 3 cm^3.
8142	1	NA Inhibition Assay	NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reaction mixture containing the buffer, NA enzyme, test compounds, or oseltamivir carboxylate (which was prepared according to literature method [Lindeg rdh et al., J. Pharm. Biomed. Anal., 42:430-433]) and the substrate were incubated at 37°C. Terminate the reaction by adding 150 &#956;L stop solution to all wells including the blank row. Read the plate within 20 min of adding stop solution detecting fluorescence using an excitation wavelength of 355 nm and an emission wavelength of 460 nm.
8143	1	FXa Inhibition Assay	Inhibition of peptide substrate cleavage by FXa was assayed against six concentrations of S2765 and six concentrations of apixaban. Typical assays were conducted in 0.1 M phosphate buffer containing 0.2 M NaCl and 0.5% PEG 8000 adjusted to pH 7.4. Final reagent concentrations are shown in parentheses. Apixaban (0 and 0.5-8.0 nM in 2-fold increments) and S2765 (31.25-1000 &#956;M by 2-fold increments) were incubated for 10 min. Reactions at 25°C were initiated by adding FXa (75 pM).
8143	2	FXa Inhibition Assay (in prothrombinase)	For comparison with the prothrombinase reaction the assays were also conducted with S2765 at 25 and 37°C in a similar buffer: 20 mM HEPES, pH 7.5 containing 0.1% PEG 8000, 5 mM CaCl2, 0.15 M NaCl, and 25 &#956;M PC:PS phospholipid vesicles with or without 2 nM FVa. Final reagent concentrations are shown in parentheses. Apixaban (0 and 0.25-4.0 nM in 2-fold increments) and S2765 (31.25-1000 &#956;M by 2-fold increments) were incubated for 10 min. Reactions at 37°C were initiated by addingFXa (50 pM).
8144	1	LDH Activity Assay	Lactate dehydrogenase activity was determined by recording the absorbance change at 340 nm produced by the oxidation of NADH. Assays were performed at 37°C. The reagent mixture contained 0.115 mM NADH, 50 mM sodium phosphate buffer, pH 7.4, sodium pyruvate (0.31 mM for LDH-C4 and LDH-B4 and 1.25 mM for LDH-A4) and the enzyme preparation, diluted with phosphate buffer, pH 7.4, to provide a &#916;E340 of 0.06-0.07 per minute when the activity was assayed in a 1-cm light path. For determination of dissociation constants, the isozymes, the inhibitors (oxamate or oxamate derivatives) and the coenzyme were incubated with the buffer used in the assay for 10 min at 37°C before adding the substrate.
8145	1	SPA-Based Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]-N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N-((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 &#956;g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 &#956;l. 
8146	1	Enzyme Inhibition Assay 	Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and Goldberg D E, 2005). The final purified protein was activated by diluting the protein to 0.3 mg/mL in activating buffer (0.1 M citrate pH 4.5, 0.1% Tween-20, 50 mM dithiothreitol) and incubated at room temperature for 40 min, then the activated enzyme was diluted in assay buffer (50 mM sodium acetate pH 4.7, 0.01% Tween-20). The enzymatic inhibition reaction was performed in 384 well plates with a total volume of 20 &#956;l. 10 &#956;l of diluted PM-2 or PM-4 enzyme was added to the 384-well plate except blank wells (blank wells add 10 &#956;L of assay buffer) and 20 nL of serials of diluted 1000× compounds were added to the wells with 520 Echo Liquid Handling System (Labcyte Inc.). 10 &#956;L PM-2 peptide substrate (AnaSpec, Cat#, 62050) with assay buffer was then added to final concentration of 20 &#956;M to start the reaction.
8146	3	Inhibitory Assay	The cytochrome P450 inhibitory potentials of compounds for human recombinant CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A were determined using Vivid CYP450 blue screening kits (Invitrogen, USA). All of the procedures were performed according the instruction provided by the manufacturer. Briefly, serials of diluted compounds were incubated the vivid CYP450 reaction systems including CYP450 BACULOSOMES with different recombinant human CYP450 isozymes and the appropriate vivid CYP450 substrates, and rabbit NADPH-P450 reductase, and the regeneration system. Ketoconazole was used as reference CYP450 inhibitor. After 30 minutes incubation at room temperature, the fluorescence was measured with an excitation at 400 nm and an emission at 460 nm using Envision 2104 multi-label Reader (Perkin Elmer, USA). 
8147	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). 
8147	2	FLIPR (Fluorometric Imaging Plate Reader) Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 384-well fibronectin coated black-walled plates overnight @37° C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37° C. Cells were washed 2 times (EIx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 uM) or at concentrations ranging from 0.0001 to 10.0 uM followed by VEGF165 stimulation (10 ng/mL). 
8147	3	Kinase Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 
8148	1	Scintillation Proximity Assay (SPA)	First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remove free biotin. Then compounds at varying concentrations were incubated with 15 nM CETP (reagent production group, In Vitro Pharmacology, MRL Rahway) and 50 ug/ml of the biotinylated LDL in 50 mM HEPES, 150 mM NaCl, pH 7.4, for 1 hour at 37° C. The reaction was started by adding 3H-cholesterol ester high density lipoprotein (HDL) (American Radiochemicals Corp) at a concentration of 0.6 nM. The reaction proceeded for 2 hours at 37° C., after which time it was quenched by the addition of 12% acetic acid. PVT streptavadin-coated scintillation proximity beads, which had been brought to room temperature, were then added at a concentration of 4 mg/ml. The assay was then mixed and counted after one half hour in a Microbeta plate reader.
8148	2	In Vitro Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)	Radiolabeled donor particles are generated by first combining 100 &mu;l of 200 &mu;M butylated hydroxyl toluene in CHCl3, 216 &mu;L of 21.57 mM DOPC in EtOH, and either 500 &mu;Ci [3H]-triolein (Perkin Elmer #NET-431) or 500 &mu;Ci [3H]-cholesteryl oleate (GE #TRK886) in a glass tube. Reagents are mixed, dried under nitrogen, and then resuspended in 2 mL of 50 mM Tris, 27 &mu;M EDTA at pH 7.4. After a brief vortex, the solution is sonicated until clear and mixed with 20 mL of fresh human serum. The mixture is incubated overnight at 37&deg; C. The [3H] labeled LDL substrate is separated at 1.063 g/ml density by sequential ultracentrifugal flotation in NaBr according to the method by (Havel, Eder et al. 1955; Chapman, Goldstein et al. 1981). Once isolated the particles are dialyzed 3&times; in CETP buffer (50 mM Tris, pH 7.4, 100 mM NaCl, 1 mM EDTA). Human HDL is purchased from Intracel and used as the acceptor particles. Transfer assays are performed in a 96 or 384-well v-bottom polypropylene plate. For the RTA using recombinant CETP (2% RTA), an assay cocktail is prepared with the final concentrations 128 &mu;g/mL HDL, 20 nM rCETP, 2% human serum, and 1&times;CETP buffer. 1 &mu;L of each test compound diluted in DMSO is added to 47 &mu;L of assay cocktail per well and incubated at 37&deg; C. for 1 hour. To initiate the transfer reaction, 2 &mu;L radiolabeled LDL is added. After an additional 60 min of incubation at 37&deg; C., the transfer action is terminated by precipitation of LDL with an equal volume of 20% W/V PEG 8000. The plates are centrifuged at 2000 rpm for 30 minutes at 4&deg; C. A 40 &mu;L aliquot of the HDL-containing supernatant is transferred to a Packard Optiplate&trade; with 200 &mu;L of MicroScint&trade; 20. After mixing, plates are counted by liquid scintillation.
8149	1	Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay	Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 &#956;M to 0.003 &#956;M final compound concentration). 1 &#956;l of these compound dilutions and 1 &#956;l of Bodipy labeled fatty acid 4.5 &#956;M in 100% DMSO (Bodipy FL C11, cat. no. D3862, Invitrogen) were sequentially pipetted in wells of 384-well black polypropylene plates (Thermo Matrix cat. no. 4344). FABP4 or FABP5 protein was then added (28 &#956;l of 64 nM protein in 25 mM Tris pH 7.5, 0.4 mg/ml &#945;-globulin, 1 mM DTT, 0.012% NP40, final protein concentration: 50 nM). Assay blanks contained ligand, but no protein. Neutral controls contained ligand, but no compound. After adding the detection reagent (Tb antiHis6 antibody, Columbia Biosciences, TB-110, 6 &#956;l of a 24 nM Ab solution in 25 mM Tris pH 7.5, 0.4 mg/ml &#947;-globulin, final Tb antiHis6 Ab concentration: 4 nM), plates were spun one minute at 1000 rpm. 
8150	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). 
8151	2	In vitro Kinase Assay	In vitro kinase assays using LRRK WT and LRRK G2019S.
8151	1	In vitro Kinase Assay	In vitro kinase assays for c-Src variants were performed in 50 mM Tris (pH 8.0), 10 mM MgCl2 and 1 mg/mL BSA. When obtaining kinetic parameters (kcat, Km) kinase and peptide substrate (IYGEFKKK) (SEQ ID NO:51) concentrations were 2 nM and 500 &#956;M, respectively, while ATP concentrations ranged from 2000-0.655 &#956;M. Addition of nonradioactive ATP supplemented with 32P ATP (3,000 Ci/mmol, NEN) was used to initiate kinase reactions. Time points were selected such that product formation never exceeded 10%. Reactions were quenched by spotting 3 &#956;L quantities onto phosphocellulose sheets (P81, Whatman). Afterwards, the sheets were washed 3×5 minutes in 0.5% phosphoric acid and dried. Radioactivity was measured by phosphorimaging and recorded on a Typhoon fluorescence imager (Molecular Dynamics). 
8152	1	Dose Response Assay	Compound plates were resuspended with 100 ul of HBSS/20 mM HEPES/0.005% BSA buffer (Compound Buffer): column 1A-H: buffer/DMSO (bk); column 2A-H: AP-18 (control antagonist for CHOK1 TRPA1 cells); column 1I-P: ATP (control for CHOK1 teton cells); column 2 I-P: 2APB (control antagonist for CHOK1/TRPM8 cells). Growth media was removed from the cell plates (20 ul) and 20 ul of the Replacement Buffer was added followed by addition of 25 ul of diluted dye. All three steps were performed using a Plate Washer BioTek 407. The plates were then incubated for 30' at RT. After incubation, both the cell and compound plates were brought to the FLIPR and 20 ul of the diluted compounds/antagonist/bk were transferred to the cell plates by the FLIPR. Plates were then incubated for 30' at room temperature. After 30' incubation, plates were returned to the FLIPR and 20 ul of 4.5&times; Cinnamaldehyde was added to the cell plates. During the compound addition as well as agonist addition, fluorescence readings were taken simultaneously from all 384 wells of the cell plate every 1.5 seconds. Five readings were taken to establish a stable baseline, then 20 ul of sample was rapidly (30 ul/sec) and simultaneously added to each well of the cell plate. The fluorescence was continuously monitored before, during and after sample/agonist addition for a total elapsed time of 100 seconds (compound addition) and 120 seconds (agonist addition).
8154	1	Binding Assay	A stable CHO (Chinese hamster ovary) cell line expressing cloned human glucagon receptor was maintained as described (Chicchi, et. al. J Biol Chem 272, 7765-9 (1997); Cascieri, et. al. J Biol Chem 274, 8694-7 (1999)). To determine antagonistic binding affinity of compounds, 0.001-0.003 mg of cell membranes from these cells were pre-incubated with 0.100 mg WGA-coated PVT SPA beads (Amersham) for 20 minutes at room temperature in 25 &#956;L of a buffer containing 50 mM Tris-HCl (pH 7.5), 5 mM MgCl2, 2 mM EDTA, 0.1% BSA and 3% glycerol in Costar 384 well plates with clear bottoms (#3706). Next, 25 &#956;L of 125I-Glucagon (New England Nuclear, MA) (1×10&#8722;14 mol per well) and either 1 &#956;L solutions of test compounds or 0.001 mM unlabeled glucagon or DMSO were added and mixed. After 4-12 hours incubation at room temperature, the radioactivity bound to the cell membranes was determined in a radioactive emission detection counter (Wallac-Microbeta).
8155	1	CYP Inhibition Assay	Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in each case eight different concentrations of a compound formula (B) (as potential inhibitor) is carried out on a incubator shaker at 37 C. Standard incubation mixtures comprise NADPH and substrates in 100 mM phosphate buffer (pH 7.4) in a total volume of 200 &mu;l. Test compound are dissolved in acetonitrile. Incubated with pooled human liver microsomes at 37&deg; C. for a defined time. The reactions are stopped by adding 100 &mu;l of acetonitrile in which a suitable internal standard is always present. Precipitated proteins are removed by centrifugation, and the supernatants analyzed by LC-MS/MS.
8156	1	TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease&trade;: 10 nM Eu-streptavidin (Perkin-Elmer Catalog# AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog # STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &mu;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog # PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10&times; concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10&times; stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14&deg; C. After the incubation the plates were read on a BMG Pherastar Fluorescent plate reader (or equivalent) and used to measure the emission energy from the europium donor fluorophore (620 nm emission) and the FRET (665 nm emission).
8157	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE10 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described as follows, such as papaverine (see Siuciak, et al. Neuropharmacology (2006) 51:386-396; Becker, et al. Behav Brain Res (2008) 186(2):155-60; Threlfell, et al., J Pharmacol Exp Ther (2009) 328(3):785-795).
8158	1	LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON&reg; 96-well Polypropylene plates, in a total volume of 60 &mu;L of 50 mM Potassium Phosphate buffer pH 7.4, containing a final concentration of 100 &mu;M 2-oleoylglycerol, 15 &mu;M oleoyl-Coenzyme A and 0.0013 &mu;g/&mu;L Human or Mouse MGAT-2 or 0.0026 &mu;g/&mu;L Rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &mu;L of ice cold methanol containing 1 &mu;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters Symmetry C8, 50&times;2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of Phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65&deg; C.
8161	2	ELISA Assay	Add 100 &mu;L of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at room temperature. Repeat the aspiration/wash as in step 2 of Plate Preparation. Add 100 &mu;L of the Detection Antibody, diluted in Reagent Diluent, to each well. Cover with a new adhesive strip and incubate 2 hours at room temperature. Repeat the aspiration/wash as in step 2 of Plate Preparation. Add 100 &mu;L of the working dilution of Streptavidin-HRP to each well. Cover the plate and incubate for 20 minutes at room temperature. Avoid placing the plate in direct light. Repeat the aspiration/wash as in step 2. Add 100 &mu;L of Substrate Solution to each well. Incubate for 20 minutes at room temperature. Avoid placing the plate in direct light. Add 50 &mu;L of Stop Solution to each well. Gently tap the plate to ensure thorough mixing. Determine the optical density of each well immediately, using a microplate reader set to 450 nm. If wavelength correction is available, set to 540 nm or 570 nm. If wavelength correction is not available, subtract readings at 540 nm or 570 nm from the readings at 450 nm. This subtraction will correct for optical imperfections in the plate. Readings made directly at 450 nm without correction may be higher and less accurate.
8161	1	TR-FRET-Based Assay	The assay buffer was prepared by diluting 5&times; supplied Tween-based buffer in 1:5 in water to make 1&times; buffer. Add desired additive to buffer (DTT or MnCl2). In a separate 96-well polypropylene plate, compound dilutions were prepared in assay buffer. Separate microcentrifuge tubes were prepared of PDE4B and PDE4D according to assay template&minus;in assay buffer. The tubes were kept on ice. The enzyme concentration shown on the template were diluted by 1:4. FAM-cAMP substrate solution was prepared according to assay template. 5 &mu;l compound was transferred from polypropylene plate into black 384-well plate. This plate was centrifuged briefly to make sure all 5 &mu;l is on the bottom. Up to 80 &mu;l of prepared PDE4B enzyme solution was transferred into alternate wells on row 'N' of 384-well plate starting from cell N1. Up to 80 &mu;l of prepared PDE4D enzyme solution was transferred into alternate wells on row 'O' of 384-well plate, starting from cell O2. cAMP substrate solution was transferred into bottom row of separate 96-well plate. 5 &mu;l of enzyme solution from the "reservoir" row (N or O) was transferred to each of the wells containing compounds, per layout map. Next, 10 &mu;l of cAMP substrate was transferred to these wells. The order of substrate-first or enzyme-first can be switched depending on what is optimal. The final cAMP concentration was 100 nM in the reaction. 20 &mu;l of assay buffer was pipetted into 4 separate wells&minus;these are the blanks. The plate was sealed with an aluminum strip and incubated at 30&deg; C. for 90 minutes. A TR-FRET solution was prepared. 4 ml of 1&times;IMAP Buffer A was added to 6 ml of IMAP Buffer B. 25 &mu;l ( 1/800 of 20 ml) of binding beads was added to this and mix by inverting. 60 &mu;l of this mixture was pipetted into 2 of the wells containing the "blank" assay buffer. Next, 49.7 &mu;l ( 1/400 of remaining volume) of Tb donor solution was added to the remaining TR-FRET solution and mixed by inverting. 60 &mu;l of this solution was pipetted into remaining 2 "blank" assay buffer-containing wells. The TR-FRET solution was poured into a pipette boat and a multichannel pipette was used to drop 60 &mu;l of solution into all assay wells. The wells were covered with a foil strip and incubated for at least 3 hours or overnight protected from light (e.g. in a drawer) at room temperature. The plate was read on the Envision Reader: Emission 1: 520/Emission 2: 486/Exc: 340. Mirror: Umbelliferone (UV).
8153	1	Inhibition Assay	[Experimental method]: Use Lance@Ultra Ulight&trade;-TK assay kit from PerKinElmer to evaluate the inhibitory activity of compounds at KDR kinase. [Instrument]: PerKinElmer's ENVISION plate reader. [Materials]: Optiplate-384 well plate (PerKinElmer), kinase buffer (50 mM Hepes pH7.5, 0.25 mM EGTA, 2 mM DTT, 0.01% Tween 20, 10 mM Mg2+, 0.5 mM Mn2+), KDR kinase (790-1356 AA, Crown Bioscience), KDR kinase substrate (PerKinElmer catalogue # TRF0127-M), Lance@Eu-W1024-anti-phosphotyrosine (PT66) (PerKinElmer, catalogue #AD0068), ATP (Invitrogen), DMSO (Sigma, catalogue #34869), purified water (Millipore, type: Milli-Q). [Study conditions]: Mix KDR (final concentration: 20 nM) and compound (final DMSO: 0.5%), pre-incubate for 20 min at 30&deg; C.; then add ATP (final concentration: 90 &mu;M) and the substrate (final concentration 50 &mu;M). React for 2 hrs at 30&deg; C. After the reaction, add antibody and reaction for 60 min at 30&deg; C. Read the plate (615 nm, 665 nm), calculate the ratio of the value at 665 nm vs 615 nm and analyze the data.
8153	2	Inhibition Assay	[Experimental method]: Use ADP-GLO&trade; assay kit from Promega to evaluate the inhibitory activity of compounds at B-Raf. [Instrument]: PerKinElmer's ENVISION plate reader. [Material]: Optiplate-384 well plate (PerKinElmer), kinase buffer (50 mM Hepes pH7.5, 1 mM EGTA, 2 mM DTT, 10 mM Mg2+, 0.05% BSA), B-Raf kinase (Millipore, catalogue #14-530-K), GST-MEK1 substrate (Carna, catalogue #07-141-10), Super pure ATP (Promega), ADP-GLO&trade; assay kit (Promega, catalogue # V9102), DMSO (Sigma, catalogue #34869), purified water (Millipore, type: Milli-Q). [Study conditions]: Mix B-Raf kinase (final concentration: 5 nM) and compound (DMSO final concentration: 0.25%) and preincubate at 30&deg; C. for 20 min, then add ATP (final concentration: 6 &mu;M) and reaction substrate (final concentration: 30 nM), React for 2 hrs at 30&deg; C. After reaction, add ADP-GLO&trade; reagent, react for 40 min at room temperature, then add ADP-GLO&trade; detecting agent, react for 30 min at room temperature. After that, use ENVSION to measure the fluorescence.
8160	1	Enzyme Assay	A431 Cell Line: 1. 5×103 cells per well in 100 &#956;l of medium were seeded in 96-well plate, here the medium contained 5% FBS2. 24 hours later, 100 &#956;l fresh medium was added with various concentrations of compounds into each well, while the medium here was free of FBS.3. After the cells were treated with compounds for 72 hours, 20 &#956;l MTT (5 mg/ml) was added into each well, and then the assay plate was incubated at 37° C. for 4 more hours.4. The assay plate was centrifuged at 800 g for 10 min. The medium was aspirated, 150 &#956;l DMSO was added into each well. The plate was gently shaken for 10 min.5. The absorbance at 570 nm was measured on the plate reader.6. IR %=(WC&#8722;WT)/WC×100%.
8159	1	Luminescence Kinase Assay	The assay was performed using Kinase-Glo Plus luminescence kinase assay kit (Promega). The compounds were diluted in 10% DMSO and 5 &mu;l of the dilution was added to a 50 &mu;l reaction so that the final concentration of DMSO is 1% in all of reactions. All of the enzymatic reactions were conducted at 30&deg; C. for 25 minutes. The 50 &mu;l reaction mixture contains 40 mM Tris, pH 7.4, 10 mM MgCl2, 0.1 mg/ml BSA, 1 mM DTT, 0.2 mg/ml Poly (Glu, Tyr) substrate, 10 &mu;M ATP and EGFR (Table 2.3.1). After the enzymatic reaction, 50 &mu;l of Kinase-Glo Plus Luminescence kinase assay solution (Promega) was added to each reaction and incubate the plate for 5 minutes at room temperature. Luminescence signal was measured using a BioTek Synergy 2 microplate reader. EGFR activity assays were performed in duplicate at each concentration.
8162	1	Biochemical Assay	The assay based on fluorescenceresonance energy transfer was carried out with BACE1 enzyme at pH 4.5 with a substrate, H-Lys(DABSYL)-SEVNLDAEFR-Gin-(LY) (Merck) according to Ermolieff&#39;s approach15. Briefly, the assay was carried out by incubation of the substrate peptide (5 &#956;M), BACE1 enzyme (550 ng/mL) that was expressed and purified from insect expression system and varied concentrations of compounds at pH 4.5. After 1 h incubation at 37°C, stop buffer (3 M sodium acetate) was introduced into the reaction mixture to stop the reaction. Finally, the fluorescence intensity was measured on a TECAN GENios reader (Tecan) at room temperature with excitation at 420 nm and emission at 530 nm.
8163	1	Enzyme Inhibition Assay	All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2.0 units/mL in 2 mL aliquots. The assay medium contained phosphate buffer, pH 8.0 (1 mL), 50 &#956;L of 0.01 M DTNB, 10 &#956;L of enzyme, and 50 &#956;L of 0.01 M substrate (ATC). The substrate was added to the assay medium containing enzyme, buffer, and DTNB with inhibitor after 15 min of incubation time. The activity was determined by measuring the increase in absorbance at 412 nm at 1 min intervals at 37°C. In vitro BuChE assay use the similar method described above.
8164	1	5&#945;-Reductase Activity Assay	The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3,7-3H(N)] 4-dione and the prostatic enzyme fractions. The amount of prostatic enzyme fractions was determined to adjust the rate of conversion of T to DHT or 4-dione to 5&#945;-dione to around 28%. T, DHT, unlabeled 4-dione or 5&#945;-dione concentrationswere adjusted to 25-250 nM in the incubating medium, by adding one of the following reagents cold T, DHT, unlabeled 4-dione or 5&#945;-dione. The reactions in duplicate were started when added to the enzymatic fraction (400 &#956;g protein in a volume of 80 &#956;L) incubated at 37°C for 60 min13 and stopped by mixing with 1 mL ofdichloromethane. Incubation without tissue was used as a control. All reactions were carried out in two different times by duplicate.
8165	1	COX Inhibition Assay	Selected 1,3,4-oxadiazole derivatives (4a, 4b, 4c, 4e, 6b, 6e, 8b) were tested for their ability to inhibit COX-1 and COX-2 using a COX-(ovine) inhibitor screening kit (Catalogue No. 560101; Cayman Chemical, Ann Arbor, MI). Stock solutions of test compounds were dissolved in a minimum volume of dimethyl sulphoxide (DMSO) toobtain 0.001, 0.01, 0.1, 1, 10, 100, and 500 &#956;M in a final volume of 1 mL. In brief, haematin reconstituted purified COX-1 and COX-2 enzymes in a reaction buffer containing Tris-hydrochloric acid (HCl) (0.1 M, pH 8.0), 5 mM ethylenediaminetetraacetic acid (EDTA), and 2 mM phenol were pre-incubated at room temperature for 1 h with test compounds followed by the addition of AA (100 &#956;M)for 2 min at 37&deg;C. Reactions were terminated by adding 50 &#956;L of 1 M HCl followed by the addition of 100 &#956;L of stannous chloride.
8166	1	In Vitro LOX Inhibition Assay	In vitro study was evaluated as reported previously [Symeonidis et al., Bioorg. Med. Chem. Lett., 19:1139-1142]. The tested compounds dissolved in ethanol were incubated at room temperature with sodium linoleate (0.1 mM) and 0.2 mL of enzyme solution (1/9 × 10^-4 w/v in saline).
8167	1	CA Activity Assay	Reactions were measured using 0.2 mM phenol red (Absmax at 557 nm) as the indicator, in 10 mM HEPES, 0.1 M Na2SO4, pH 7.5, for a period of 10-100 s. To determine the kinetic parameters and inhibition constants, the CO2 concentration ranged from 1.7 to 17 mM. For the inhibitor assay, at least six traces of the initial reaction were used for determining the initial velocity, which were subtracted from the uncatalysed reaction. A stock solution of 1 mM acetazolamide in 10-20% (v/v) dimethyl sulphoxide (DMSO) was used to prepare dilutions up to 0.01 nM. Inhibitor and enzyme solutions were preincubated prior to inhibition measurements for 15 min at 25°C to form the enzyme-inhibitor complex.
8168	1	CA Enzyme Assay	CA activity was measured by the Maren method that is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 hydration. Phenolred was added to the assay medium as the pH indicator, and the buffer was 0.5 M Na2CO3/0.1 M NaHCO3 (pH 10.0). One unit of CA activity is defined as the amount ofthe enzyme that reduces by 50% the time of CO2 hydration measured in the absence of enzyme. In the inhibition studies, the CO2 concentration was 70 mM and at last five different inhibitor concentrations were used.
8169	1	Enzyme Inhibition Assay	An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes as reported by Khalifah [Khalifah et al., J. Biol. Chem., 1:156-161]. Phenol Red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Hepes (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid; pH 7.4) as buffer, 0.1 M Na2SO4 or NaClO4 (for maintaining constant the ionic strength; these anions are not inhibitory in the used concentration), following the CA-catalyzed CO2 hydration reaction for a period of 5-10 s. Saturated CO2 solutions in water at 25&deg;C were used as substrate. Stock solutions of inhibitors were prepared at a concentration of 10 mM (in dimethyl sulphoxidewater 1:1, v/v) and dilutions up to 1 mM done with the assay buffer mentioned above. At least four different inhibitor concentrations have been used for measuring the inhibition constant. Inhibitor and enzyme solutions were preincubated together for 10 min at room temperature prior to assay, in order to allow for the formation of the E-I complex.
8170	1	Hydratase Activity Assay	Carbonic anhydrase activity was assayed by following the hydration of CO2 according to our previous studies [Soyut et al., Protein Pept. Lett., 15:528-535; Soyut et al., Biol. Trace Elem. Res., 123:179-190].
8171	1	CA Enzyme Assay	CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 hydration [Maren et al., J. Pharm. Exp. Ther., 130:2629-2634].
8172	1	In Vitro hDDAH-1 Assay	A colorimetric assay was carried out in 150 &#956;L 50 mM potassium phosphate buffer pH 7.4 containing 4 &#956;g of recombinant hDDAH-1 and varying concentrations of NMMA and inhibitor. NMMA was applied at 50, 100, 300, 700 and 1250 &#956;M. Each dilution was incubated each inhibitor in five different concentrations and one without inhibitor as a control. Samples were incubated in a 96-well microplate at 37°C for 30 min and the reaction was stopped by addition of 200 &#956;L Colder reagent [Knipp et al., Anal. Biochem., 286:257-264]. Microplates were sealed with sealing tape, incubated at 95°C for 20 min and then read at 540.5 nm.
8173	1	Activity Assay	GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer UV-(1208) at 25°C. The assay system contained 40 mM Tris-HCl buffer, pH 8.0, including 0.8 mM EDTA, 1 mM GSSG and 0.1 mM NADPH in 1 mL total reaction volume. The activity was measured by monitoring the decrease in absorbance at 340 nm due to the oxidationof NADPH at 25°C. One enzyme unit is defined as the oxidation of 1 mmol NADPH per min under the assay conditions.
8174	1	Neuraminidase Inhibition Assay	The 50% inhibitory concentration (IC50) determination was carried out by using a 96-well microtitre plate as an array of reaction vessels. In the first well,a 0.1-mM solution of oseltamivir carboxylate was prepared by mixing 90 &#956;l of 33 mM MES pH 6.5 containing 4 mM CaCl2 and 10 &#956;l of a 1-mM oseltamivir carboxylate stock solution. Starting from the solution contained in the first well, an in-plate 10-fold serial dilution was performed using 33 mM MES pH 6.5 containing 4 mM CaCl2 as dilution buffer obtaining a 7 points dilution curve, the last well in the vertical lane was used to obtain a negative control (no oseltamivir was added). At the end of the dilution process, each well contained 90 &#956;l of solution. To each well, 25 &#956;l of the enzyme stock solution were mixed with the oseltamivir solution and incubated for 2 h at 37&deg;C. After the incubation time, 25 &#956;l of 20 &#956;M MUNANA were added. In the reaction mixtures, the final concentration of oseltamivir carboxylate spanned in the ranges 0.064 nM-64.2 &#956;M. After incubating the plate for 5 h at 37&deg;C, 50 &#956;l of stop solution (0.1 M Glycine, pH 10.7 containing 25% ethanol) were added. The fluorescence of the solutions contained in each well was read with the Victor3 multi-label counter. For the determination of the of oseltamivir carboxylate against neuraminidase N3, the same procedure described above was used, except for the concentrationof the oseltamivir carboxylate stock solution which was 10 &#956;M. In the reaction mixtures, the final concentration of oseltamivir carboxylate spanned in the ranges 0.64 pM-642 nM.
8174	2	Neuraminidase Activity Assay	Practically in a microtitre plate, 90 &#956;l of 33 mM MES pH 6.5 containing 4 mM CaCl2 were dispensed in each well, except for the first well of each lane. In the first well of each vertical lane, 18 &#956;l of 0.01 mM oseltamivir were mixed with 162 &#956;l of 33 mM MES pH 6.5 containing 4 mM CaCl2. The solution was thoroughly mixed to obtain a 1-&#956;M oseltamivir carboxylate solution. For each assay, a 90-&#956;l aliquot of this solution was withdrawn from the first well and added to the second well in the same vertical lane obtaining a 2-fold diluted solution of oseltamivir. The 2-fold dilution process was continued up to the seventh well, while the eighth well used as blank (no inhibitor was added). At the end of the dilution process, each well contained 90 &#956;l of solution. To each well, 25 &#956;l of enzyme stock solution were added. After an incubation time of 2 h, 25 &#956;l of MUNANA were added to each well, the final concentrations of oseltamivir carboxylate spanned the range 10-643 nM for N1 assay. After 30 min of incubation, 50 &#956;l of stop solution were added to the first vertical lane, and the fluorescence was recorded. After an additional 30 min (60 min total), the stop solution was added to the second vertical lane and the fluorescence recorded. After additional 30 min (90 min total), the stop solution was added to the third vertical lane and the fluorescence recorded and so on. The experiment was performed in duplicate. For the determination of oseltamivir carboxylate Ki against N3, the same procedure described for N1 was used, except for the concentration of oseltamivir carboxylate stock solution which was 0.1 &#956;M.
8175	1	In Vitro APN Inhibition Assay	The samples and positive controls were serial diluted to various concentrations: 1280 &#956;g/mL, 320 &#956;g/mL, 80 &#956;g/mL, and 20 &#956;g/mL, 5 &#956;g/mL and 1.25 &#956;g/mL. Allcompounds were pre-incubated with APN on a 96-well plate for 30 min. The assay mixture, including the compound solution, the enzyme solution (5 &#956;g/mL final concentration) and the assay buffer, was adjusted to give a total volume of 200 &#956;L. Fifteen minutes later, the absorbance (OD405) of the wells was recorded on a microplate reader.
8175	2	In Vitro MMP-2 Inhibition Assay	The compound samples were assayed for inhibitory activity against MMP-2 in 96-well microplates using succinylated gelatin as the substrate. The compounds and gelatinase were dissolved in sodium borate buffer (pH 8.5, 50 mM), and incubated at 37°C for 30 min. The substrate was added and incubated at 37°C for another 60 min. Then 0.03% picrylsulphonic acid solution was added and incubated at room temperature for an additional 20 min.
8176	1	CA Inhibition Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer(Shimadzu UV-VIS) according to the method described by Verpoorte et al. [Verpoote et al., J. Biol. Chem., 242:4221-4229] The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05M Tris-SO4 buffer (pH 7.4), 1 mL, 3 mM NPA, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. The inhibitory effects of compounds 4-11 were examined. All compounds were tested in triplicate at each concentration used. Different inhibitor concentrations were used.
8177	1	Antagonism Assay	Day 1: A cell suspension of HEK-Blue&trade;-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was prepared. 180 &mu;l of cell suspension ( 80,000 cells) was added per well of a flat-bottom 96-well plate and place in an incubator at 37&deg; C. for overnight. Day 2: Test compounds were serially diluted in test medium, generally starting at 10 &mu;M, and diluting by 3 fold in a 96 well master plate. 20 &mu;l of diluted test compound was transferred using a 12 channel multi-channel pipet to the cell plate and incubated at 37&deg; C. for 1 hour. Then 20 &mu;l of an hTLR9 agonist (such as ODN 2006, 1 &mu;M) was added to each well and the plate incubated at 37&deg; C. overnight. Day 3: Invivogen's QUANTI-Blue&trade; was prepared following the manufacturer's instructions. 180 ml of resuspended QUANTI-Blue&trade; was added per well of a flat bottom 96-well plate. 20 &mu;l per well of induced HEK-Blue&trade;-hTLR9 cells supernatant was then added to the plate and the plate was incubated at 37&deg; C. for 1-3 h. SEAP levels were determined using a spectrophotometer at 620 nm.
8178	1	Caliper Mobility-Shift Assay	To a 96-well plate, 20 &#956;L, of 10 &#956;M FL-cGMP as the substrate was added; then 1 &#956;L, of solution of the compound in DMSO or DMSO solution without compound was added, and then 29 &#956;L of 1.38 ng/&#956;L PDE-5A enzyme buffer (100 mM Hepes pH 7.5, 5 mM MgCl2, 0.002% Brij-35) was added. The maximum final concentration of the compound was 10 &#956;M. The plate was incubated at 30° C. for 1 h, and 20 &#956;L of 70 &#956;M EDTA was then added to stop the reaction. 26 &#956;L of solution of each well was transferred to a 384-well plate. 
8178	2	Enzyme Assay	The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (35 &#956;g/mL) in Tris-HCl buffer of pH 7.5. 1 &#956;M cGMP and 0.01 &#956;M [3H] cGMP were then added to activate the reaction. The mixture was incubated for 20 min. The reaction was stopped at 100° C. By addition of snake venom nucleotidase, the product [3H] GMP was converted into [3H] Guanosine, which was separated with AG1-X2 resin. Then the amount of [3H] Guanosine was measured. 
8178	3	Enzyme Assay	Method: The test compound or solvent was incubated at 25° C. for 15 min with enzyme solution (0.2 &#956;g/mL) in Tris-HCl buffer of pH 7.5. 100 &#956;M cGMP and 0.03 &#956;M [3H] cGMP were then added to activate the reaction. The mixture was incubated for 20 min. The reaction was stopped at 100° C. By addition of snake venom nucleotidase, the product [3H] GMP was converted into [3H] Guanosine, which was separated with AG1-X2 resin. The amount of [3H] Guanosine was measured. 
8178	4	Caliper Mobility-Shift Assay	To a 96-well plate, 20 &#956;L of 10 &#956;M FL-cGMP as the substrate was added; then 1 &#956;L solution of the compound in DMSO or DMSO solution without compound was added; and then 29 &#956;L of 0.28 ng/&#956;L PDE-11 enzyme buffer (100 mM Hepes pH 7.5, 5 mM MgCl2, 0.002% Brij-35) was added. The maximum final concentration of the compound was 10 &#956;M. The plate was incubated at 30° C. for 1 h, and 20 &#956;L of 70 &#956;M EDTA was then added to stop the reaction. 26 &#956;L of solution of each well was transferred to a 384-well plate. 
8179	1	Reception Binding Assay	Different concentrations (10^&minus;5 M-10^&minus;11 M) of the compound of the invention and corresponding isotope receptor ligand as well as receptor protein were loaded into the reaction tube and incubated in 30&deg; C. water bath for 60 minutes. The reaction was terminated in a refrigerator. The reaction mixture was put in a Millipore filter (millipore) cell sample collector, filtered through suction filtration using GF/C glass fiber filter paper, and dried. The resulting sample was placed into 0.5 mL tube. 500 &mu;L liquid scintillation fluid was added and intensity of radioactivity was determined by counting. For dopamine D1 receptor: isotope receptor ligands [3H] SCH23390 (85.0 Ci/mmol) (D1-selective, purchased from Amersham Corporation), D1 receptor protein expressed in HEK-293 cells; For D2 dopamine receptor: isotope receptor ligands [3H] Spiperone (77.0 Ci/mmol) (D2-selective, purchased from Amersham Corporation); D2 receptor protein expressed in HEK-293 cells; For 5-HT1A receptor: isotope receptor ligands [3H] 8-OH-DPAT; 5-HT1A receptor protein expressed in HEK-293 cells; For 5-HT2A receptor: isotope receptor ligands [3H]-Ketanserin; 5-HT2A receptor protein expressed in HEK-293 cells.
8179	4	Affinity Assay	Each medicament was dissolved in serum-free F12 culture medium containing 100 &mu;M of IBMX. CHO cells which can stably express D2 receptor were pre-incubated at 37&deg; C. for 10 min, and then 10 &mu;M Forskoline and 10 &mu;M Dopanie were added at the same time to react for 10 min. 100 &mu;L, of pre-cooled 1 M of HClO4 was added and the reaction was terminated at 4&deg; C. for 1 hour. 20 &mu;L of 2 M K2CO3 was added to neutralize the reaction. The resulting mixture was centrifugated at 3000 rpm for 15 min, and the precipitate KClO4 was discarded. A certain amount of the supernatant was taken for cAMP detection. Spiperone and Quinpirole were used as positive control.
8179	2	Radioligand Binding Assay	The affinity of compounds to D1 and D2 dopamine receptors were determined by competition binding assays. Membrane homogenates of HEK293T cells were stably transfected with D1, or D2 receptors. Duplicated tubes were incubated at 30&deg; C. for 50 mins (for D1, and D2) with increasing concentrations of respective compound and with [3H]SCH23390 (for D1 dopamine receptors), or [3H]Spiperone (for dopamine D2 receptor) in a final volume of 200 &mu;L binding buffer containing 50 mM Tris, 4 mM MgCl2, pH 7.4. Nonspecific binding was determined by parallel incubations with either 10 &mu;M SCH23390 for D1, or Spiperone for D2 receptors respectively. The reaction was started by addition of membranes (15 ng/tube) and stopped by rapid filtration through Whatman GF/B glassfiber filter and subsequently washed with cold buffer (50 mM Tris, 5 mM EDTA, pH 7.4) using a Brandel 24-well cell harvester. Scintillation cocktail was added and the radioactivity was determined in a MicroBeta liquid scintillation counter.
8179	3	[35S]GTP&#947;S Binding Assay	For detecting the agonism action of the compounds, the [35S]GTP&#947;S binding assay was performed at 30° C. for 40 mins in reaction buffer containing 50 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EDTA, 100 mM NaCl and 1 mM (DL)-dithiothreitol (DTT). The assay mixture (200 &#956;L) contained 30 &#956;g of membraneprotein, 0.1 nM [35S]GTP&#947;S, and 40 &#956;M guanosine triphosphate (GDP) with various concentration of the compound. The D1 receptor agonist SKF38393 and sntagonist SCH23390 were used for reference. Non specific binding was measured in the presence of 100 &#956;M 50-guanylimidodiphosphate (Gpp(NH)p). The reaction was terminated by adding 3 mL of ice-cold washing buffer (50 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EDTA, and 100 mM NaCl) and was rapidly filtered with GF/C glass fiber filters (Whatman) and rinsed for three times. 
8180	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET)-Based cAMP Immunoassay	Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) containing 10% horse serum and 2% glutaMax (Invitrogen, Carlsbad. Calif.) without added antibiotics. On the day of the experiment, cells were spun at 1,000 rpm for 5 minutes at room temperature and then washed once with HBSS (HEPES Buffered Saline Solution, Invitrogen, Carlsbad, Calif.). Cells were then spun again and resuspended in stimulation buffer (HBSS with 0.05% FAF-BSA (Fatty acid-free bovine serum albumin, Roche Applied Science, Indianapolis, Ind.), 5 mM HEPES) to 2 million cells per ml. Antibody supplied with the LANCE&trade; cAMP immunoassay kit was then added to the cells according to the manufacturer's instructions, and 12,000 cells per well were then added to the wells containing forskolin to a predetermined fixed final concentration (typically about 2.5 &mu;M) and the previously determined amount of the synthetic peptide amide to be tested. The synthetic peptide amides were tested in a range of concentrations to determine potency. Cells were incubated with the synthetic peptide amide plus forskolin for about 20 minutes at room temperature. After incubation, cells are lysed by adding 12 &mu;l of detection mix as supplied with the LANCE&trade; kit, followed by incubation for one hour at room temperature. Time resolved fluorescence was read using a 330-380 nm excitation filter, a 665 nm emission filter, dichroic mirror 380, and Z=1 mm.
8181	1	Kinase Inhibition Assay	The effect of test compounds on the activity of the protein kinases GSK-3&#946;, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory concentration (IC50) values determined by Millipore UK Ltd; Gemini Crescent; Dundee Technology Park; Dundee DD2 1SW; UK (IC50Profiler). Detailed protocols can be found at: www.millipore.com/drugdiscovery/dd3/assayprotocols.
8182	1	ELISA-Based Assay	Stable neomycin phosphotransferase encoding replicons-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to the assay. Potency was deteremined using a cell ELISA assay with an antibody to the replicons encoded NS3/4a protease. See Caterina Trozzi et al., In Vitro Selection and Characterization of Hepatitis C Virus Serine Protease Variants Resistant to an Active-Site Peptide Inhibitor, 77(6) J. Virol. 3669 (2003). To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays were performed in a 96-well plate formate for manual operation, or a 384-well plate format for automated assay. Replicon cells and compound were incubated for 96 hours. At the end of the assay, cells were washed free of media and compound, and the cells were then lysed. RNA was quantified indirectly through detection of replicon-encoded NS3/4A protein levels, through an ELISA-based assay with an antibody specific for NS3/4A.
8183	1	[35S]-TBPS Displacement Assay	The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.
8184	1	Inhibition Assay	All compounds were tested for inhibition of SIRT1 and SIRT2 using human recombinant enzymes available in the Fluor de Lys fluorescence-based assay kit (BIOMOL, AK555, AK556). All other required reagents were provided in the kit which was stored at &minus;78&deg; C. Before use, small aliquots of each enzyme (2-3 &mu;L) were prepared, snap frozen in liquid nitrogen and stored at &minus;78&deg; C. Fresh dilutions of compounds were prepared in DMSO and further diluted in assay buffer. NAD+ (12.5 &Xi;L at 4 mM) and Fluor de Lys SIRT1 or SIRT2 (12.5 &mu;L at 100 &mu;M) in assay buffer were added to a white 96 well plate, followed by compound (10 &mu;L) and lastly enzyme (15 &mu;L, 0.07 U/&mu;L or SIRT1 and 0.3 U/&mu;L for SIRT2). After incubation for 1 h at 37&deg; C. a developer solution (50 &mu;L) was added to each reaction. The developer solution contained 38 &mu;L buffer, 10 &mu;L developer and 2 &mu;L nicotinamide (50 mM) per reaction. The plate was then incubated for 45 min at rt and then read using a Spectra Max Gemini fluorimeter with an excitation wavelength of 355 nm and an emission wavelength of 460 nm.
8185	1	HTRF cAMP Assay	Compounds of the present invention were evaluated using the human H3 receptor (H3R) HTRF cAMP assay. In this assay, HEK293 cells expressing the human H3 receptor were suspended in PBS containing 100 &#956;M IBMX and plated into 384-well assay plates (Perkin Elmer Proxiplate 384-Plus; 15,000 cells per well; 5 &#956;L plating volume) and allowed to equilibrate for an hour. Test compounds were serially diluted in 100% DMSO and then further diluted in PBS containing forskolin (2 &#956;M). Test compounds (5 &#956;L) were then added to the assay plate and the mixture was incubated for 1 hour. HTRF assay reagents (Cisbio, Dynamic 2 cAMP Kit), cAMP-d2 and cryptate-labeled anti-cAMP antibody, are mixed with cell lysis buffer and added to the assay plate. After 1-hour incubation with these reagents, the assay plate was read on an HTRF-compatible microplate reader (Perkin Elmer EnVision or BMG Pherastar).
8186	1	Inhibition Assay	The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have a signal equivalent to 6 times the background noise in 2 h at 37&deg; C. The reaction is carried out in 50 mM Tris buffered medium containing 4% glycerol, pH 7.4. The fluorescent substrate is MCA-Pro-Leu-Ala-Val-(Dpa)-Arg-Ser-Ser-Arg-NH2 (R&D systems, reference: ES003). The substrate is cleaved by the enzyme between the alanine and the valine, thus releasing a fluorescent peptide (excitation: 320 nm, emission: 420 nm). The substrate is used at 40 uM. The reaction is carried out in a final volume of 10 ul (4 ul inhibitor, 4 ul substrate, 2 ul enzyme) in a low volume 384-well plate (Corning reference: 3676). The plate is incubated at ambient temperature for 2 h, and then read by fluorescence on a Pherastar reader (BMG labtech).
8186	2	Inhibition Assay	The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described for the TACE enzyme in example 28, but with different substrates (MMP R&D systems, reference: P126-990, and ADAM R&D systems, reference: ES003).
8187	1	Competition Binding Assay	The Kd of CP 55,940 in the isolated CB1 and CB2 receptor expressing membranes was previously determined to be 2.3 nM and 1.5 nM, respectively (see Pertwee, R. G. Current Medicinal Chemistry 6 635-664 (1999)). Competition binding assays at 2.5 nM [3H]-CP 55,940 (PerkinElmer) were carried out to determine the K1 values for tested compounds. Membranes (5-10 &mu;g) were incubated with radioligand and a range of concentrations of test compounds in binding buffer (50 mM Tris pH 7.4, 5 mM MgCl2, 1 mM EDTA) with 0.5% (w/v) bovine serum albumin (BSA) (ICP Bio, New Zealand), at 30&deg; C. for 60 min. Stock solutions of putative cannabinoid ligands were prepared in dimethyl sulfoxide to a concentration of 10 mM. Six different final concentrations of compounds were used ranging from 50 &mu;M to 0.1 nM. Non-specific binding was determined in the presence of 1 &mu;M non-radioactive CP 55,940 (Tocris Cookson). Assays were terminated by addition of 2 ml ice cold binding buffer and filtration through GF/C filters (Whatman) pre-soaked in cold binding buffer, followed by two washes in the same buffer.
8187	2	cAMP Assay	Cells were seeded at a density of 10,000 cells per well in poly-L-lysine treated 96-well culture plates (BD Biosciences). The following day wells were incubated with 40 &mu;l DMEM/F12 containing 0.5% (w/v) BSA and 0.5 mM 3-isobutyl-1-methylxanthine (Sigma-Aldrich) for 30 minutes prior to 15 min stimulation with 50 &mu;M forskolin (Tocris Cookson) and varying concentrations of indicated compounds at 37&deg; C., 5% CO2. Assays were stopped by removal of media and addition of 100% ice cold ethanol. Plates were then frozen for a minimum of two hours before complete evaporation of ethanol. The well contents were then reconstituted in 50 &mu;l cAMP assay buffer (20 mM HEPES pH 7.5 and 5 mM EDTA). Half of the reconstituted sample was transferred to round bottom 96-well plates (Greiner Bio-One GmbH) with 50 &mu;l 0.01% w/v PKA (cAMP dependent protein kinase (Sigma-Aldrich) in 1 mM Na citrate pH 6.5 with 2 mM dithiothreitol) and 25 &mu;l [3H]-cAMP (at 22 nM in cAMP assay buffer) (GE Healthcare, Life Sciences). This was allowed to equilibrate for 3-18 hours. Following this a charcoal slurry (5% (w/v) activated charcoal and 0.2% (w/v) BSA in cAMP assay buffer) was added to the samples and the plates centrifuged at 3000&times;g, 4&deg; C. for 5 min.
8187	3	[35S]GTP&#947;S Binding Assay	Human CB2 expressing CHO-K1 membranes (5 &#956;g per incubation mixture) were diluted in 50 mM Tris-HCl (pH 7.5) and 0.5 mM EDTA and added to HU compounds in a pre-mixed incubation cocktail. Final incubation concentrations were 55 mM Tris-HCl (pH 7.4), 1 mM EDTA, 100 mM NaCl, 5 mM MgCl2, 0.5% BSA, 50 &#956;M GDP, 0.2 nM [35S]GTP&#947;S (PerkinElmer) with varied HU compound concentration and 5 &#956;g membrane. Incubations were continued for 60 minutes at 30° C. in a shaking water bath. Assays were terminated by addition of 2 ml ice cold wash buffer (50 mM Tris-HCl, pH 7.5 and 5 mM MgCl2) and filtration through pre-soaked GF/C filters (Whatman), followed by two further washes. 
8188	1	Enzyme Activity Assay	The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or 0.09 nM mouse PrCP (CHO) enzyme, 15 uM substrate and varying concentrations of inhibitor in buffer containing 10 mM NaOAc, 100 mM NaCl and 19.5 ug/mL BSA at pH 5.5. The assay also contained 2% DMSO used to solubilize the substrate and inhibitor. Inhibitors were prepared in 100% DMSO and serial diluted (in 100% DMSO) to generate 11 point titration curves. Either 39 uL of human or mouse PrCP enzyme was added to the wells of the assay plate, followed by a 1 uL addition of the serially diluted inhibitor and mixed three times using a 30 uL mix volume. The reaction was initiated by the addition of 10 uL substrate and mixed three times using a 30 &#956;L mix volume. The reactions were monitored continuously over 25 min at 37° C. to obtain initial velocities. 
8189	1	Inhibition Assay	Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT, and 2% DMSO. The inhibitor concentration is varied between 0.02-30,000 nM, while the Hsp27 peptide substrate and MgATP are held constant at 1 &mu;M and 10 &mu;M, respectively. Activated p38&alpha; is added to a final concentration of 20 pM for reactions with nonphosphorylated 1 nM His6-MK2 in the cascade reaction. For the p38&alpha;/PRAK cascade, unactivated GST-PRAK is held constant at 1 nM while p38&alpha; is added in to a final concentration of 20 pM. Kinase reactions are incubated at room temperature and quenched after 30 minutes by the addition of stop buffer (180 mM HEPES, 30 mM EDTA, and 0.2% Coating Reagent-3). Under these conditions, approximately 20% of the substrate Hsp27 peptide is phosphorylated. Reactions are initiated by the addition of activated p38&alpha; except for preincubation experiments, where reactions are initiated by the addition of Hsp27 peptide and MgATP. Preincubation of p38&alpha; with inhibitor or p38&alpha; with unactivated His6-MK2 or unactivated GST-PRAK and inhibitor are performed at 2X final assay concentrations at room temperature 240 minutes prior to adding ATP and Hsp27 peptide to initiate catalysis.
8190	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP&reg; FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP&reg; technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &mu;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &mu;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE10 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described as follows, such as papaverine (see Siuciak, et al. Neuropharmacology (2006) 51:386-396; Becker, et al. Behav Brain Res (2008) 186(2):155-60; Threlfell, et al., J Pharmacol Exp Ther (2009) 328(3):785-795), 2-{4-[pyridin-4-yl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]phenoxymethyl}quinoline succinic acid or 2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]quinoline succinic acid (see Schmidt, et al. J Pharmacol Exp Ther (2008) 325:681-690; Threlfell, et al., J Pharmacol Exp Ther (2009) 328(3): 785-795). 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 (Labcyte, Sunnyvale, Calif.) is used to dispense 200 mL from each well of the titration plate to the 384 well assay plate. A solution of enzyme (1/7000 dilution from aliquots; sufficient to produce 20% substrate conversion) and a separate solution of FAM-labeled cAMP PDE from Molecular Devices (product # R7506), at a final concentration of 50 nM are made in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). The enzyme is added to the assay plates by the addition of 10 &mu;L of enzyme solution to each well, shaken to mix and incubated at room temperature for 60 minutes. The substrate is then added to the assay plates by the addition of 10 &mu; L of substrate solution to each well, shaken to mix, and incubated at room temperature for 60 minutes. A binding solution is then made from the kit components, comprised of 80% Solution A, 20% Solution B and binding reagent at a volume of 1/600 the total binding solution. The enzymatic reaction is stopped by addition of 60 lit of the binding solution to each well of the assay plates and the plates are sealed and shaken for 10 seconds. The plate was incubated at room temperature for at least one hour prior to determining the fluorescence polarization (FP).
8191	1	Capsaicin-Based Assay	Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth media containing 5 &mu;M PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1&times; Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4, and cells are loaded using 0.1 mL of wash buffer containing Fluo-4 (3 &mu;M final). After one hour, the cells are washed twice with 0.2 mL of wash buffer and resuspended in 0.1 mL of wash buffer. The plates are transferred to a FLIPR for assay. 50 &mu;L of test compound diluted with assay buffer (1&times; Hank's Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) are added to the cell plates and incubated for 2 min. The final concentration of the compound is adjusted to range from about 50 picoM to about 3 &mu;M. Human TRPV1 is activated by the addition of 50 &mu;L of capsaicin (400 nM), and the plates are incubated for an additional 3 min.
8191	2	pH-Based Assay	Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Becton-Dickinson) at 75,000 cells/well in growth media containing 5 &mu;M PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1&times; Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 ("wash buffer"), and loaded using 0.1 mL of wash buffer containing Fluo-4 (3 &mu;M final concentration, commercially available from Molecular Probes). After 1 h, the cells are washed twice with 0.2 mL wash buffer and resuspended in 0.05 mL 1&times; Hank's Balanced Salt Solution (commercially available from Life Technologies) containing 3.5 mM CaCl2 and 10 mM Citrate, pH 7.4 ("assay buffer"). Plates are then transferred to a FLIPR for assay. The test compound is diluted in assay buffer, and 50 &mu;L of the resultant solution is added to the cell plates and the solution is monitored for two minutes. The final concentration of the test compound is adjusted to range from about 50 picoM to about 3 &mu;M. Agonist buffer (wash buffer titrated with 1N HCl to provide a solution having a pH of 5.5 when mixed 1:1 with assay buffer) (0.1 mL) is then added to each well, and the plates are incubated for 1 additional minute.
8192	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mLs per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mLs per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mLs per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mLs per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8193	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	Assay 1: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 &mu;L by adding 1 &mu;L of compounds tested at different concentrations diluted in 100% DMSO (1.7% final DMSO concentration) in reaction buffer (PBS, 125 mM NaCl, 0.001% Novexin (consists of carbohydrate polymers), designed to increase the solubility and stability of proteins; Expedeon Ltd., Cambridgeshire, United Kingdom), 0.01% Gelatin, 0.01% 0.2%, Pluronic F-127 (block copolymer from ethylenoxide and propyleneoxide), 1 mM DTT). After addition of 1.25 nM MDM2-biotinylated or 2.5 nM MDM4-biotinylated (internal preparations), and 0.625 nM Europium labeled streptavidin (Perkin Elmer), the solution is pre-incubated for 15 minutes at room temperature, then 10 nM Cy5-p53 peptide (internal preparation) is added before an incubation at room temperature for 15 minutes prior to reading the plate. For measurement of samples, a Victor II microplate reader (Perkin Elmer) is used with the following settings: Excitation 340 nm, Emission Donor 620 nm and Emission Acceptor 665 nm.
8193	2	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	Assay 2: The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 &mu;L by adding 1 &mu;L of compounds tested at different concentrations diluted in 100% DMSO (1.7% final DMSO concentration) in reaction buffer (PBS, 125 mM NaCl, 0.001% Novexin (consists of carbohydrate polymers), designed to increase the solubility and stability of proteins; Expedeon Ltd., Cambridgeshire, United Kingdom), 0.01% Gelatin, 0.01% 0.2%, Pluronic F-127 (block copolymer from ethylenoxide and propyleneoxide), 1 mM DTT). After addition of 1.25 nM MDM2-biotinylated or 2.5 nM MDM4-biotinylated (internal preparations), and 0.625 nM Europium labeled streptavidin (Perkin Elmer), the solution is pre-incubated for 15 minutes at room temperature, then 10 nM Cy5-p53 peptide (internal preparation) is added before an incubation at room temperature for 15 minutes prior to reading the plate. For measurement of samples, a Victor II microplate reader (Perkin Elmer) is used with the following settings: Excitation 340 nm, Emission Donor 620 nm and Emission Acceptor 665 nm. For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1 nM MDM2, 0.1 nM Europium labeled streptavidin and Tecan genios Pro is used as a microplate reader for the fluorescence measurements (p53-MDM2 Assay 2).
8194	1	Inhibition Enzymatic Assay	Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 &#956;g/ml bovine serum albumin. Enzyme activities were monitored by measuring the release of fluorescence of an amido methyl coumarin (AMC) moiety (excitation, 360 nm; emission, 441 nm) from Boc-Gln-Ala-Arg-AMC (50 &#956;m) (Bachem Biosciences, King of Prussia, Pa.) for 20 min at 37° C. in a FLX-800 TBE microplate reader (Bio-Tek Instruments, Winooski, Vt.). Recombinant purified human matriptase (amino acids 596-855) (1 nM) was incubated with vehicle (1% DMSO) or 1 &#956;M of inhibitors IN-1 (RQAR-ketobenzothiazole, Compound 1) and IN-2 (RQAK-ketobenzothiazole, compound 3) for 10 minutes at room temperature. Enzyme activity was measured for 20 minutes at 37° C. using 50 &#956;M of Boc-Gln-Ala-Arg-AMC as a substrate. Reaction was performed in a 50 mM HEPES buffer (pH 7.4) containing 5 &#956;g/ml BSA.
8195	1	FLIPR Assays	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10× HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
8195	2	Electrophysiology Assay	On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system was used to apply test solutions directly to the cell under evaluation. This system consists of an array of glass pipette connected to a motorized horizontal translator. The outlet of the shooter was positioned approximately 100 &mu;m from the cell of interest. Whole cell currents were recorded using the whole-cell patch clamp configuration with the help of an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.), 1322A A/D converter (Axon Instruments) and pClamp software (v. 8; Axon Instruments) and stored on a personal computer. Gigaseals were formed and the whole-cell configuration was established in voltage clamp mode, and membrane currents generated by hNav1.7 were recorded in gap-free mode. Patch clamp pipettes made of borosilicate glass had electrical resistance values between 1.5 and 2.0 M&ohm; when filled with the pipette solution and series resistance (<5 M&ohm;) was compensated 75-80%. Signals were sampled at 50 kHz and low pass filtered at 3 kHz.
8196	1	Kinase Assay	JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 &#956;M GEEPLYWSFPAKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8196	2	Kinase Assay	JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8196	3	Kinase Assay	Aurora-A (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 200 &#956;M LRRASLG (Kemptide), 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8196	4	Kinase Assay	Aurora-B (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 &#956;M AKRRRLSSLRA, 10 mM MgAcetate and [&#947;-33PATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of a 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8196	5	Kinase Assay	FLT3 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 50 &#956;M EAIYAAPFAKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8197	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &mu;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2&times;3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &mu;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &mu;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &mu;L) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25&deg; C., then a cocktail (10 &mu;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &mu;L). In all cases, the final concentrations were as follows: wild-type or mutant PRC2 enzyme was 4 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The final concentrations of the rest of the components are indicated in Table 2, below. The assays were stopped by the addition of non-radioactive SAM (10 &mu;L) to a final concentration of 600 &mu;M, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 &mu;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 h before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer.
8198	1	CA Activity Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-VIS) according to the method described by Verpoorte et al [Verpoorte et al., J. Biol. Chem., 242:4221-4229]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL 3 mM 4-NPA, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette withoutenzyme solution.
8199	1	&#946;-Glucuronidase Inhibition Assay	&#946;-Glucuronidase inhibitory activity was evaluated by a biochemical assay, based on the measurement of the absorbance of p-nitrophenol at 405 nm, produced from the enzymatic hydrolysis of chromogenic substrate [Choudhary et al., Steroids, 74:1040-1044; Khan et al., Chem. Pharm. Bull., 50:1443-1446]. The reaction mixture, consisting of 5 &#956;L of test compound solution, 185 &#956;L of 0.1 M acetate buffer (pH 7.0) and 10 &#956;L &#946;-glucuronidase solution, was kept for 30 min at 37°C. The total reaction volume being 250 &#956;L. 50 &#956;L of p-nitrophenyl-&#946;-D-glucuronide was added to each plate. A multiplate reader was used to read the absorbance at 405 nm.
8200	1	Radioligand-Binding Assay	In brief, receptor source and radioligand used were human recombinant expressed in HEK-293 cells and [3H] LSD (60-80 Ci/mmol), respectively. The final ligand concentration was 1.5 nM and non-specific determinant was methiothepin mesylate (0.1 SYMBOL 109f "Symbol"M). The reference compound and positive control is methiothepin mesylate. Reactions were carried out in 50 mM Tris-HCl (pH 7.4) containing 10 mM MgCl2, 0.5 mM EDTA for 60 min at 37°C. The reaction was terminated by rapid vacuum filtration onto glass fibre filters.
8201	1	CA Activity Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer(Shimadzu UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4-mL 0.05-M Tris SO4 buffer (pH 7.4), 1-mL 3-mM 4-NPA, 0.5-mL H2O and 0.1-mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. The inhibitory effects of the phenolic compounds were examined. All compounds were tested in triplicate at each concentration used. Different concentrations of the compounds were used.
8202	1	hCA Activity Assay	Esterase activities of hCA I and hCA II isoenzymes, eluted from affinity column,were determined by hydrolysis of p-nitrophenylacetate. The change of absorbance was determined at 348 nm after 3 min [Wilbur et al., J. Biol. Chem., 176:147-154].
8203	1	Urease Inhibition Assay	Briefly, 50 mL broth cultures (2.0 &times; 10^8 CFU/mL) were centrifuged (5000g, 4&deg;C)to collect the bacteria, and after washing twice with phosphate-buffered saline (pH 7.4), the H. pylori precipitation was stored at &#8722;80&deg;C. H. pylori was returnedto room temperature, and after the addition of 3 mL of distilled water and protease inhibitors, sonication was performed for 60 s. Following centrifugation(15,000g, 4&deg;C), the supernatant was desalted through SephadexG-25 column (PD-10 columns, Amersham-Pharmacia Biotech, Uppsala, Sweden). The resultant crude urease solution was added to an equal volume of glycerol and stored at 4&deg;C until use in the experiment. The mixture, containing 25 &#956;L (4U) of H. pylori urease (100 mM HEPES, pH 6.8) and 25 &#956;L of the test compounds of various concentrations, was preincubated for 3 h at room temperature in a 96-well assay plate. After preincubation, 0.2 mL of 100 mM HEPES (pH 6.8) buffer containing 500 mM urea and 0.002% phenol red were added and incubated at 37&deg;C.
8204	1	Mobility Shift Assay	Agents: 1-fold kinase buffer without MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT. 1-fold kinase buffer with MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 10 mM MnCl2, 2 mM DTT. Termination solution: 100 mM HEPES, pH 7.5, 0.0015% Brij-35, 0.2% Coating Reagent#3, 50 mM EDTA. 2.5-fold kinase solution: The kinase was added to the 1-fold kinase buffer to form a 2.5-fold kinase solution. 2.5-fold substrate solution: FAM fluorescence-labelled polypeptide and ATP were added to the 1-fold kinase buffer to form a 2.5-fold substrate solution. Compounds: The final test concentration of the compound was 10 &mu;M at maximum. Firstly, a 50-fold concentration (i.e. 500 &mu;M) was prepared with 100% DMSO. The compound was diluted with 100% DMSO by 5 folds at 5 concentrations (successively 500 &mu;M, 100 &mu;M, 20 &mu;M, 4 &mu;M, and 0.8 &mu;M). After diluting with 1-fold kinase buffer by 10 folds, 5 &mu;l of the samples were transferred to a 384-well reaction plate. Two negative control wells and two positive control wells were set at each line respectively. Replication was made in a 96-well plate in five concentrations of 5-fold compound. 10% DMSO was added to the positive control well, and 5 &mu;l of EDTA (250 mM) was added to the negative control well. Procedure: To the 384-well reaction plate was added 5-fold compound dissolved in 10% DMSO at 5 &mu;l/well. To the 384-well reaction plate was added 2.5-fold kinase solution at 10 l/well. The plate was incubated at room temperature for 10 mins. To the 384-well reaction plate was added 2.5-fold substrate solution at 10 &mu;l/well. The plate was incubated at 28&deg; C. for a certain period. 25 &mu;l termination solution was added to terminate the reaction.
8204	4	null	Agents: 2-fold kinase solution: using 1-fold kinase buffer to prepare 2-fold kinase solution, with a final concentration of 0.35 nM of BRAFV600E. 4-fold substrate solution: using 1-fold kinase buffer to prepare 4-fold substrate solution, with a final substrate solution concentration of 0.2 uM of Fluorescein-MAP2K1 and 1.5 uM of ATP. Compounds: The final test concentration of the compound was 10 uM at maximum. Firstly, a 100-fold concentration (i.e. 1000 uM) was prepared with 100% DMSO. The compound was diluted with 100% DMSO by 5 folds at 5 concentrations. The compound series was identical to that in the Mobility Shift Assay. After diluting with 1-fold kinase buffer by 25 folds, the resulting samples were shaked and mixed evenly on a plate-shaker for 10 mins. Procedure: To the 384-well reaction plate was added 4-fold compound dissolved in 10% DMSO at 2.5 l/well. To the 384-well reaction plate was added 2-fold kinase solution at 5 ul/well, and to the negative control wells were added 1-fold kinase buffer. The samples were shaked, mixed evenly, and kept standing at room temperature. To the 384-well reaction plate was added 4-fold substrate solution at 2.5 ul/well. The plate was reacted, shaked, mixed evenly and incubated at room temperature for one hour. Reaction result detection: 2-fold detection solution was prepared, with a final concentration of 2 nM of Antibody and 10 mM of EDTA. 10 ul of the detection solution was transferred to the 384-well plate to terminate the reaction. The plate was gently shaked on a plate-shaker for 30 mins.
8204	2	PI3K&alpha; Enzymatic Assay	Agents: 1-fold kinase buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT). 4-fold kinase solution: PI3K ± kinase was added to 1-fold kinase buffer to form 4-fold kinase solution with a final concentration of 1.65 nM. 2-fold substrate and ATP solution: the substrate PIP2 and ATP were added to 1-fold kinase buffer to form 2-fold substrate solution with final concentration of 50 &mu;M of PIP2 and 25 &mu;M of ATP. 4-fold test substance solutions: 100-fold test substance solutions in different gradient concentrations were formulated with 100% DMSO, and diluted by 25 folds with 1-fold kinase buffer to form 4-fold test substance solutions in different gradient concentrations. Kinase-Glo reagent kit, which was placed to warm up to room temperature. Procedure: To each well of a 384-well plate was added 2.5 &mu;L of the 4-fold test substance solutions in gradient concentrations. To each well was added 2.5 &mu;L of 4-fold kinase solution, and then the plate was incubated for 10 mins. Then to each well was added 5 &mu;L of 2-fold substrate and ATP solution, and then the plate was incubated at room temperature for 1 hour. Finally, 10 &mu;L of the detection solution was added to terminate the reaction. After 15 mins, the data Lance signal (665 nM) was read from Envision.
8204	3	mTOR Enzymatic Assay	Agents: 1-fold kinase buffer: 50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 3 mM MnCl2, 0.01% Tween-20, 2 mM DTT. 4-fold kinase solution: mTOR kinase was added to 1-fold kinase buffer to form 4-fold kinase solution with a final concentration of 2.5 nM. 2-fold substrate and ATP solution: the substrate 4EBP1 and ATP were added to 1-fold kinase buffer to form 2-fold substrate solution with final concentration of 50 nM of 4EBP1 and 10.8 &mu;M of ATP. 4-fold test substance solutions: 100-fold test substance solutions in different gradient concentrations were formulated with 100% DMSO, and diluted by 25 folds with 1-fold kinase buffer to form 4-fold test substance solutions in different gradient concentrations. Detection solution: a detection solution containing 2-fold final concentrations of EDTA and 4EBP1 phosphorylated antibody was formulated, wherein the final concentration for EDTA was 8 mM, and the final concentration for the 4EBP phosphorylated antibody was 2 nM. Procedure: To each well of a 384-well plate was added 2.5 &mu;L of the 4-fold test substance solutions in gradient concentrations. The replication was made. To each well was added 2.5 &mu;L of 4-fold kinase solution, and then the plate was incubated for 10 mins. Then to each well was added 5 &mu;L/of 2-fold substrate and ATP solution, and then the plate was incubated at room temperature for 1 hour. Finally, 10 &mu;L of the detection solution was added to terminate the reaction. After 60 mins, the data Lance signal (665 nM) was read from Envision.
8205	1	Replicon Assay	The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an internal ribosome entry site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter portion (FfL-luciferase), and a selectable marker portion (neoR, neomycine phosphotransferase). The construct is bordered by 5&#8242; and 3&#8242; NTRs (non-translated regions) from HCV type Ib. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that express HCV RNA, which replicates autonomously and to high levels, encoding inter alia luciferase, were used for screening the antiviral compounds.
8205	2	Inhibition Assay	The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu&#968;[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jos , USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (&#8491;ke Engstr m, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden) (Landro, 1997 Biochem 36 9340-9348). The enzyme (1 nM) was incubated in 50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) pH 7.5, 10 mM dithiothreitol, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 &#956;M NS4A cofactor and inhibitor at 30° C. for 10 min, whereupon the reaction was initiated by addition of 0.5 &#956;M substrate. Inhibitors were dissolved in DMSO, sonicated for 30 sec and vortexed. The solutions were stored at &#8722;20° C. between measurements.
8206	1	HTRF FRET Assay	This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &mu;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
8206	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% fin
8207	1	Ester Enzyme Assay	The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume of 25 &#956;L, p38 MAP Kinase a (5-10 mU) is incubated with 25 mM Tris pH 7.5, 0.002 mMEGTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [g-33p-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8207	2	Acid Enzyme Assay	The ability of compounds to inhibit p38 MAP a Kinase activity was measured in an assay performed by Upstate (Dundee UK). In a final reaction volume of 25 &#956;L, p38 MAP Kinase a (5-10 mU) is incubated with 25 mM Tris pH 7.5, 0.002 mMEGTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [g-33p-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8208	1	Fluorescence Polarization Assay	PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substrate to immobilized metal coordination complexes increases fluorescence polarization (FP). Tetramethylrhodamine (TAMRA)-cGMP and fluorescein-cAMP were used as substrates, each at final concentration of 50 nmol/L. The PDE assay was done according to the manufacturer&#39;s specifications using either whole cell lysates or recombinant enzymes. FP was measured at excitation, emission wavelengths of either 530,590 nm for TAMRA-cGMP or 485,530 nm for fluorescein-cAMP using a Synergy4 (Biotek) microplate reader.
8208	2	Colorimetric Assay	The activities of COX-1 and COX-2 were measured after the addition of arachidonic acid and incubation at 25° C. for 5 min by absorbance at 590 nm as specified by the manufacturer.
8209	1	Kinase Assay	For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &mu;l of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &mu;l of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 &mu;M=>final conc. in the 5 &mu;l assay volume is 10 &mu;M) and peptide substrate (1.67 &mu;M=>final conc. in the 5 &mu;l assay volume is 1 &mu;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 &mu;l assay volume). The reaction was stopped by the addition of 3 &mu;l of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, Perkin Elmer LAS, Rodgau-J&uuml;gesheinn, Germany]. The resulting mixture was incubated 1 h at 22&deg; C. to allow the binding of the phosphorylated peptide to the anti-phospho(Ser/Thr)-Europium-antibody. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Europium-labelled anti-phospho(Ser/Thr) antibody to the Streptavidin-XLent. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a Viewlux TR-FRET reader (PerkinElmer LAS, Rodgau-J&uuml;gesheinn, Germany).
8210	1	In Vitro Affinity Assay	 PathHunter HEK293-CXCR2 or U2OS hCXCR1 &beta;-arrestin cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well format) in 20 &mu;l of Opti MEM I medium. A preincubation with the antagonist or the vehicle for 30 min at 37&deg; C. and 5% CO2 was followed by 60 minutes of stimulation with CXCL8 at 37&deg; C. and 5% CO2. The cells were then placed at ambient temperature for 30 minutes. The PathHunter detection reagent (DiscoveRx Corporation) was added. After incubation for 60 min at ambient temperature, the &beta;-galactosidase induced by the luminescence during the &beta;-arrestin-CXCR2 interaction was measured for 0.3 s in an Envision 2102 Multilabel Reader (PerkinElmer Life and Analytical Sciences).
8211	3	Radioligand dose-Displacement Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &mu;g membrane protein (recombinant &kappa; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &mu;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &mu;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25&deg; C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &mu;l ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 1-2 hours. Fifty &mu;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
8211	1	Radioligand dose-Displacement Binding Assay	Radioligand dose-displacement binding assays for &mu;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &mu;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &mu;l of ice-cold binding buffer. Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &mu;l/well), and plates were counted using a Packard Top-Count for 1 min/well.
8211	2	[35S]GTP&gamma;S Functional Assay	[35S]GTP&gamma;S functional assays were conducted using freshly thawed &mu;-receptor membranes prepared from a cell line expressing recombinant &mu; opioid receptor in a HEK-293, CHO or U-2 OS cell background or purchased from a commercial source (Perkin Elmer, Shelton, Conn.; or DiscovRx, Fremont, Calif.). Assay reactions were prepared by sequentially adding the following reagents to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice (final concentrations indicated): membrane protein (0.026 mg/mL), saponin (10 mg/mL), GDP (3 mM) and [35S]GTP&gamma;S (0.20 nM; Perkin Elmer, Shelton, Conn.). The prepared membrane solution (190 &mu;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;l of 20&times; concentrated stock solutions of the agonist [D-Ala2, N-methyl-Phe4 Gly-ol5]-enkephalin (DAMGO) prepared in dimethyl sulfoxide (DMSO). Plates were incubated for 30 min at about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 200 &mu;l of ice-cold wash buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &mu;l/well) and plates were counted using a Packard Top-Count for 1 min/well.
8211	4	[35S]GTP&gamma;S Functional Assay	Functional [35S]GTP&gamma;S binding assays were conducted as follows. &kappa; opioid receptor membrane solution was prepared by sequentially adding final concentrations of 0.026 &mu;g/&mu;l &kappa; membrane protein (in-house), 10 &mu;g/mL saponin, 3 &mu;M GDP and 0.20 nM [35S]GTP&gamma;S to binding buffer (100 mM NaCl, 10 mM MgCl2, 20 mM HEPES, pH 7.4) on ice. The prepared membrane solution (190 &mu;l/well) was transferred to 96-shallow well polypropylene plates containing 10 &mu;l of 20&times; concentrated stock solutions of agonist prepared in DMSO. Plates were incubated for 30 min at a temperature of about 25&deg; C. with shaking. Reactions were terminated by rapid filtration onto 96-well Unifilter GF/B filter plates (Perkin Elmer, Shelton, Conn.) using a 96-well tissue harvester (Packard) and followed by three filtration washes with 200 &mu;l ice-cold binding buffer (10 mM NaH2PO4, 10 mM Na2HPO4, pH 7.4). Filter plates were subsequently dried at 50&deg; C. for 2-3 hours. Fifty &mu;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
8212	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to a 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100&times; final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &mu;M S/T17 peptide substrate and 25 &mu;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &mu;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm.
8212	2	Phosphorylation Assay	HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/well and allowed to attach overnight at 37&deg; C./5% CO2. Diluted compounds were then added at a final concentration of 0.5% DMSO. After 1.5 hour compound incubation, cells were stimulated with the addition of PMA (phorbol 12-myristate 13-acetate) at a final concentration of 100 ng/mL; the PMA stimulation was a 30-minute incubation at 37&deg; C./5% CO2. After the 30-minute PMA stimulation, cells were washed with PBS and fixed in 3.7% formaldehyde in PBS at room temperature for 15-20 minutes. This was followed by another wash in PBS and then permeabilization in 100% MeOH at room temperature for 10-15 minutes. Following the permeabilization incubation, cells were washed in PBS/0.05% Tween-20, followed by a block in Odyssey blocking buffer (LI-COR Biosciences) for at least 1 hour. Antibodies to phosphorylated P90RSK(Ser380) (Cell Signaling #9335, rabbit monoclonal) and GAPDH (Fitzgerald 10R-G109a, mouse monoclonal) were added to the cells and incubated overnight at 4&deg; C. pP90RSK(Ser380) antibody was used at a 1:250 dilution; GAPDH was used at a 1:10,000 dilution. After washing with PBS/0.05% Tween-20, the cells were incubated with fluorescently-labeled secondary antibodies (Anti-rabbit-Alexa Flour680, Invitrogen Cat#A21109; Anti-mouse-IRDye800CW, Rockland Inc. Cat#610-131-121) for 1 hour. Both secondary antibodies were used at a 1:1000 dilution. Cells were then washed and analyzed for fluorescence at both wavelengths using the Odyssey Infrared Imaging System (LI-COR Biosciences). Phosphorylated P90RSK(Ser380) signal was normalized to GAPDH signal.
8213	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8213	2	PDGFR&beta; Kinase Assay	Biochemical PDGFR&beta; kinase assays were performed in 96 well microliter plates that were coated overnight with 75 &mu;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 36 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-&beta; protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8214	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mis per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8214	2	VEGFR2 Cellular Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 384-well fibronectin coated black-walled plates overnight @ 37&deg; C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37&deg; C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 &mu;M) or at concentrations ranging from 0.0001 to 10.0 &mu;M followed by VEGF165 stimulation (10 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera.
8214	3	PDGFR&beta; Kinase Assay	Biochemical PDGFR&beta; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 36 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR&beta; protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mis per well wash with PBS-Tween-20, 100 &mu;l of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8214	4	PDGFR&beta; Cellular Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of PDGF-induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. NHDF-Ad (Normal Human Dermal Fibroblasts, Adult; Lonza) were seeded in 384-well fibronectin coated black-walled plates overnight @ 37&deg; C./5% CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37&deg; C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 &mu;M) or at concentrations ranging from 0.0001 to 10.0 &mu;M followed by PDGF-BB stimulation (30 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera.
8215	1	HTRF Assay 	PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Beta, Delta and Gamma respectively) were purchased at Millipore (expressed in insect cells). ATP was purchased at Sigma Aldrich (ref. #A7699).The compounds were pre-incubated with the enzyme for 30 min before starting of the catalytic reaction. [PIP2] was used at its Km. [ATP] was used at 15 &#956;M for all isoforms for technical reasons (Km values varied between 10 and 20 &#956;M depending on the isoform). Time of assay and [Enzyme] were optimized to work in the linear range. Stop and Detection mixtures were used as specified in the Millipore PI-3 Kinase kit.
8216	1	YO-PRO Assay	Cells were grown to confluency in adherent culture at 37&deg; C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Penicillin/Streptomycin, 250 &mu;g/ml Geneticin). Adherent cells were detached by incubation with Trypsine (1 ml per 165 cm2 dish) for 2 minutes, then washed off with 10 ml PBS (without Mg2+ and Ca2+), and resuspended in DMEM, 10% FCS, 1% Penicillin/Streptomycin, no Geneticin. 10,000 cells per well (48 hours before the assay) or 25,000 cells per well (Vi-cell XR (Beckman Coulter) (24 hours before the assay) in 50 &mu;l full medium were seeded on 384-well black-wall, clear bottom plates, that were coated before with 10 &mu;l per well Poly-L-Lysine, incubated for 30-60 minutes at 37&deg; C. and washed once with PBS. Medium was removed from cells and 50 &mu;l of assay buffer containing 0.5 &mu;M YO-PRO-1 was added into the wells. Solutions of antagonist compounds were prepared by serial dilutions of a 10 mM DMSO solution of the antagonist into PBS using a BioMek (Beckman Coulter). Each concentration was performed in duplicate. For IC50 measurements 10 concentration points were measured (10 &mu;M being the highest concentration followed by 9 serial dilution steps 1/3). The cells were incubated with the antagonists of the present invention together with ATP at a final concentration of 250 &mu;M for 90 minutes. During this time period, four time points were taken. Each time point comprised the average of several measurements made within a few seconds. Fluorescence was measured in the FLIPR tetra (Molecular Devices) using the filters appropriate for YO-PRO-1 fluorescence (excitation 485/20, emission 530/25). The FLIPR tetra was equipped with Molecular Devices Screen Works system control software to define and run experimental protocols.
8217	1	YO-PRO Assay	Cells were grown to confluency in adherent culture at 37&deg; C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Penicillin/Streptomycin, 250 &mu;g/ml Geneticin). Adherent cells were detached by incubation with Trypsine (1 ml per 165 cm2 dish) for 2 minutes, then washed off with 10 ml PBS (without Mg2+ and Ca2+), and resuspended in DMEM, 10% FCS, 1% Penicillin/Streptomycin, no Geneticin. 10'000 cells per well (48 hours before the assay) or 25'000 cells per well (Vi-cell XR (Beckman Coulter) (24 hours before the assay) in 50 &mu;l full medium were seeded on 384-well black-wall, clear bottom plates, that were coated before with 10 &mu;l per well Poly-L-Lysine, incubated for 30-60 minutes at 37&deg; C. and washed once with PBS. Medium was removed from cells and 50 &mu;l of assay buffer containing 0.5 &mu;M YO-PRO-1 was added into the wells. Solutions of antagonist compounds were prepared by serial dilutions of a 10 mM DMSO solution of the antagonist into PBS using a BioMek (Beckman Coulter). Each concentration was performed in duplicate. For IC50 measurements 10 concentration points were measured (10 &mu;M being the highest concentration followed by 9 serial dilution steps 1/3). The cells were incubated with the antagonists of the present invention together with ATP at a final concentration of 250 &mu;M for 90 minutes. During this time period, four time points were taken. Each time point comprised the average of several measurements made within a few seconds. Fluorescence was measured in the FLIPR tetra (Molecular Devices) using the filters appropriate for YO-PRO-1 fluorescence (excitation 485/20, emission 530/25).
8218	1	In Vitro Assay	Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter.
8219	1	Enzymatic Assay	Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a product such as dihydroxyacetone phosphate (DHAP) or glyceraldehyde 3-phosphate (GAP). If the activity is measurably lower in the presence of the candidate compound than in its absence, then the compound has FBA inhibitory activity and is a candidate antibiotic and antiparasitic compound. The compound may also be screened with recombinant or isolated Class I FBA (for example, of human or mammalian origin) to determine cross-inhibition. 
8220	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 75-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8221	1	Dose Response Assay	Harvested cells with 0.025% trypsin/EDTA. Resuspended cells in growth media without selection antibiotics. Measured cell density and diluted to 2.4&times;10^5 cells/ml in media containing 1 &mu;g/ml Doxycycline Plate 25 &mu;l/well into 384 well black/clear tissue culture-treated plates. Incubated overnight at 37&deg; C. Growth media was removed from the cell plates (20 &mu;l) and 20 &mu;l of the Replacement Buffer was added followed by addition of 25 &mu;l of diluted dye. All three steps were performed using a Plate Washer BioTek 407. The plates were then incubated for 30' at RT. After incubation, both the cell and compound plates were brought to the FLIPR and 20 &mu;l of the diluted compounds/antagonist/bk were transferred to the cell plates by the FLIPR. Plates were then incubated for 30' at room temperature. After 30' incubation, plates were returned to the FLIPR and 20 ul of 4.5&times; Cinnamaldehyde was added to the cell plates. During the compound addition as well as agonist addition, fluorescence readings were taken simultaneously from all 384 wells of the cell plate every 1.5 seconds. Five readings were taken to establish a stable baseline, then 20 &mu;l of sample was rapidly (30 &mu;l/sec) and simultaneously added to each well of the cell plate. The fluorescence was continuously monitored before, during and after sample/agonist addition for a total elapsed time of 100 seconds (compound addition) and 120 seconds (agonist addition).
8222	1	Inhibition Assay	The test compounds were incubated with pooled human liver microsomes at 37&deg; C. in the presence of NADPH and appropriate concentrations of substrates specific for CYP2C9 and 3A4. 120 &mu;L of a mixture of human liver microsomes (HLM) in 50 mM potassium phosphate/5 mM MgCl2 buffer was added into all wells of row A in a 96-well plate. The concentration of microsomal protein was 2-fold the intended protein concentration for the particular isozyme assay recorded in Table 4. In addition, 80 &mu;L of this human liver microsome preparation spiked with 1% DMSO was dispensed into all wells of rows B through H. 1.2 &mu;L of each individual test compound in DMSO (10 mM) was added to the first 10 wells of row A (5 different test compounds each in duplicate). Additionally, 1.2 &mu;L of the DMSO stock of the control inhibitor for the isozyme under study was added into the final two wells of row A to give a concentration two-fold above the highest final concentration. Three-fold serial dilutions were performed by taking 40 &mu;L from each solution in wells of row A (wells 1-12, both compounds and controls) and diluting into the wells of row B. After thorough mixing, 40 &mu;L from each solution in wells of row B were dispensed with a multichannel pipette (12 channels) into the wells of row C and the controls and test compounds hence further diluted. This process was repeated for rows D through G. After mixing, 40 &mu;L was removed and discarded from the wells of row G. This procedure resulted in 80 &mu;L of solution being present in all wells of all rows A through H, with protein concentrations being twice the final intended concentrations in all wells of rows, and test compound and control concentration being twice the final intended concentrations in rows A through G. Row H was not spiked with a test compound or positive control. The plate was covered and pre-incubated for 10 minutes in a 37&deg; C. incubator. The reaction was initiated by adding 80 &mu;L of a solution of the substrate for the isozyme under investigation in 50 mM potassium phosphate/5 mM MgCl2 buffer solution with 4 mM NADPH present, at a substrate concentration two-fold the intended final substrate concentrations using a multichannel pipette. The substrate solution was added to all wells rows A to H excluding wells 95 and 96 (microsomal blanks). The plate was covered and incubated at 37&deg; C. for the time listed in Table 4 for the isoform under investigation. The reaction was stopped by dispensing 120 &mu;L of internal standard (200 ng/mL CCX915-6A) in acetonitrile to all wells. 80 &mu;L of the specific substrate/NADPH solution described above was added into the well 95 and 96 after stopping the reaction to provide the blank. The plate was vortexed for 10 min and spun in a centrifuge at 4,450 rpm and 4&deg; C. for 10 min. With a multichannel pipette, 80 &mu;L of the supernatant was transferred into a sample plate wells containing 80 &mu;L of 0.1% formic acid/water and mixed well for analysis on LC-MS/MS as described in sections E and F.
8223	1	Inhibition Assay	Briefly, the experiments were performed on an IonWorks&trade; HT instrument (Molecular Devices Corporation), which automatically performs electrophysiology measurements in 48 single cells simultaneously in a specialised 384-well plate (PatchPlate&trade;). The cells used were Chinese hamster ovary (CHO) cells stably transfected with hERG. A single-cell suspension is prepared in extracellular solution (Dulbecco's phosphate buffered saline with calcium and magnesium pH 7-7.2) and aliquots added automatically to each well of a PatchPlate&trade;. The cells were then positioned over a small hole at the bottom of each well by applying a vacuum beneath the plate to form an electrical seal. The vacuum was applied through a single compartment common to all wells which is filled with intracellular solution (buffered to pH 7.2 with HEPES). The resistance of each seal was measured via a common ground-electrode in the intracellular compartment and individual electrodes placed into each of the upper wells. Electrical access to the cell was achieved by circulating a perforating agent, amphotericin, underneath the PatchPlate&trade; and then measuring the pre-compound hERG current. An electrode was positioned in the extracellular compartment and a holding potential of &minus;80 mV applied for 15 sec. The hERG channels were then activated by applying a depolarising step to +40 mV for 5 sec and then clamped at &minus;50 mV for 4 sec to elicit the hERG tail current, before returning to &minus;80 mV for 0.3 s. The test compound was then added at various concentrations (0.008, 0.04, 0.2, 1, 5 and 25 &mu;M) to the upper wells of the PatchPlate&trade;. The test compound was left in contact with the cells for 300 sec before recording currents using the same voltage-step protocol as in the pre-compound scan. Quinidine, an established hERG inhibitor, was included as a positive control.
8224	1	Kinase Activity (Flashplate&reg; Method)	The test plates used are 96-well Flashplate&reg; microtitre plates from Perkin Elmer (Cat. No. SMP200). The components of the kinase reaction described below are pipetted into the assay plate. The Met kinase and the substrate poly Ala-Glu-Lys-Tyr, (pAGLT, 6:2:5:1), are incubated for 3 hrs at room temperature with radioactively labelled 33P-ATP in the presence and absence of test substances in a total volume of 100 &mu;l. The reaction is terminated using 150 &mu;l of a 60 mM EDTA solution. After incubation for a further 30 min at room temperature, the supernatants are filtered off with suction, and the wells are washed three times with 200 &mu;l of 0.9% NaCl solution each time. The measurement of the bound radioactivity is carried out by means of a scintillation measuring instrument (Topcount NXT, Perkin-Elmer).
8225	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 &#956;M (2× starting concentration; 10% DMSO) and 10 &#956;L were transferred into a 384-well plate. Then 10 &#956;L of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters.
8226	1	Recruitment Assay	Thirty microliters of H6-TR&#946; (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal volume of EE-RxR&#945; (50 nM) in Binding Buffer. Six microliters of T3 (0-14.8 uM) or test compound (0-1.2 mM) in DMSO was then added and the solution incubated at 37° C. for 30 min. Thirty microliters of biotin-GRIP peptide (Biotin-Aca-HGTSLKEKHKILHRLLQDSSSPVDL-CONH2) (100 nM) in 30 ul of Binding Buffer plus 5% DMSO was then added and the solution incubated at 37° C. for 30 min. Thirty microliters of solution containing 12 nM europium-conjugated anti-hexa His antibody and 160 nM APC-conjugated streptavidin in 50 mM Tris, pH 7.4, 100 mM NaCl and 0.2 mg/ml BSA was added and the solution incubated at 4° C. for over night. An aliquot (35 ul/sample) was transferred to 384-well black microtiter plates. The HTRF signal was read on the Victor 5 reader (PerkinElmer Life and Analytical Sciences).
8227	1	MMP-9 Activity Assay	Recombinant human MMP-9 was expressed in Sf9 insect cells and purified by gelatin-Sepharose affinity chromatography as described previously16,17. It was activated with 0.01 &#956;M of the catalytic domain of MMP-3 (cd-MMP-3, Calbiochem) in assay buffer (100 mM Tris/HCl, pH 7.4, 100 mM NaCl, 10 mM CaCl2 and 0.01% Tween-20) at 92 ng/&#956;l (1 &#956;M) as a stock solution as described8. Hydrolysis of the substrate Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 (substrate I, R&D Systems Europe Ltd) was monitored by measuring the increase in fluorescence (excitation wavelength = 328 nm, emission wavelength = 392 nm) [Whittaker et al., Chem. Rev., 99:2735-2776]. All assays were performed at 37°C in 100 &#956;l assay buffer. The reaction was started by adding 10 &#956;l gelatinase B stock solution (0.92 ng/&#956;l) to a 100 &#956;l reaction system with a substrate concentration of 10 &#956;M, after which the rate of substrate hydrolysis was monitored.
8227	2	MMP-8 Activity Assay	Recombinant human MMP-8 was purchased as an active form enzyme (Sino Biological Inc.). The enzyme activity was detected with the same fluorogenic peptidesubstrate as that for MMP-9. All MMP-8 assays were performed at 37°C in 100 &#956;l assay buffer with 20 &#956;l recombinant human MMP-8 (2 ng/&#956;l). The final substrateconcentration was 10 &#956;M.
8227	3	MMP-3 Activity Assay	The activity of recombinant human MMP-3 (catalytic domain, Calbiochem) was detected with the substrate Mca-Arg-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(Dnp)-NH2 (substrate II, R&D Systems Europe Ltd) (excitation wavelength = 320 nm, emission wavelength = 405 nm). These assays were performed at 37°C in 100 &#956;l assay buffer. The reaction was started by adding 10 &#956;l MMP-3 stock solution (1 ng/&#956;l) to a 100 &#956;l reaction system with a final substrate concentration of 10 &#956;M, after which the rate of substrate hydrolysis was monitored.
8227	4	TACE Activity Assay	TACE was purchased as an active form enzyme (R&D Systems). Hydrolysis of the TACE-substrate Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH (substrateIII, R&D Systems Europe Ltd) was monitored by measuring the increase in fluorescence (excitation wavelength = 320 nm, emission wavelength = 405 nm). TACEassays were performed at 37°C in 100 &#956;l assay buffer. The reaction was started by adding 4 &#956;l TACE stock solution (1 ng/&#956;l) to a 100 &#956;l reaction system with a final substrate concentration of 10 &#956;M, after which the rate of substrate hydrolysis was monitored.
8228	1	Esterase Activity Assay	CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti et al. [Innocenti et al., Bioorg. Med. Chem., 18:2159-2164; Innocenti et al., Bioorg. Med. Chem. Lett., 20:5050-5053] CA activity was determined by following thechange in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25&deg;C using a spectrophotometer (CHEBIOS UV-VIS). The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL, 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. The inhibitory effects of ampicillin sulfate, ceftriaxone, ceftizoxime, ranitidine were examined. All compounds were tested in triplicate at each concentration used. Different inhibitor concentrations were used. HCA-I enzyme activities were measured for ceftriaxone (0.003-0.033 mM), ceftizoxime (0.017-0.096 mM), ranitidine (0.026-0.053 mM) at cuvette concentrations and HCAII enzyme activities were measured for ampicillin sulfate (0.038-0.095 mM), ceftriaxone (0.003-0.021 mM), ceftizoxime (0.026-0.061 mM) and ranitidine (0.032-0.058 mM) at cuvette concentrations.
8229	1	Enzyme Assay	The rate of hydrolysis of the substrates (0.3 mM) by trypsin (18 U/ml), thrombin (12.5 NIH U/ml), urokinase (62500 IU/ml) and elastase (8.4 U/ml) was monitored at410 nm in Tris-HCl buffer (50 mM, pH 8.0) without the presence of Ca2+ or other activators, at 37°C, pH 7.6. Data scanning time was set to the 1st and 61st minute after the reaction start. Rutin, esculin, phloridzin and their esters were initially solubilized at a concentration of 10 mM in dimethyl sulphoxide (DMSO) and subsequently incorporated in the reaction mixture to final concentrations in the range of 1-50 &#956;M. Samples were run in triplicate in 96-well plates by MRX microplate reader. Each experiment was performed in triplicate.
8231	1	CA Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (Shimadzu UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05M Tris-SO4 buffer (pH 7.4), 1mL 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. The inhibitory effects of the sulphonamide derivatives were examined. All compounds were tested in triplicate at each concentration used. Different concentrations of the compounds were used.
8232	1	3&#39;-P Inhibitory Assay	Cleavage of a dinucleotide from each 3&#39;-end of viral cDNA. All biological assays were performed essentially as previously described [Dayam et al., J. Med. Chem., 51:1136-1144].
8232	2	ST Inhibitory Assay	Insertion of two newly processed 3&#39;-viral DNA ends into the host-cell chromosome. All biological assays were performed essentially as previously described [Dayam et al., J. Med. Chem., 51:1136-1144].
8234	1	Esterase Activity Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-Vis) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229]. The enzymatic reaction contained 1.4 mL 0.05 M Tris-SO4 buffer(pH 7.4), 1 mL 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution (total volume, 3.0 mL). A reference measurement was obtained by preparing themixture without the enzyme solution. All measurements were made in triplicate.
8235	1	CA Inhibition Assay	Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as buffer, 0.1 M Na2SO4 (for maintaining constant the ionic strength), at 25&deg;C, following the CA-catalyzed CO2-hydration reaction for a period of 10-80 s (the uncatalyzedreaction needs around 60-100 s in the assay conditions, whereas the catalyzed ones are of around 6-10 s). The CO2 concentrations ranged from 1.7 to 17 mM for thedetermination of kinetic parameters. For each inhibitor, tested in the concentration range between 0.01 and 100 &#956;M, at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (1 mM) were prepared in distilled-deionized water with 10-20% (v/v) dimethyl sulfoxide (which is not inhibitory at these concentrations), and dilutions up to 0.001 &#956;M were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay in order to allow for the formation of the E-I complex.
8236	1	Esterase Activity Assay	Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.
8237	1	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer according to the method described by Verpoorte et al24. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL of 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL of 3 mM 4-nitrophenylacetate,0.5 mL of H2O and 0.1 mL of enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. Enzyme concentrationsin the assay system were 9 nM for hCA I, 7 nM for hCA II, 7 nM for IV and 12 nM for bCA III.
8238	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-2573]. Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 20 mM Hepes (pH 7.5) as buffer, and 20 mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor, at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (0.1 mM) were prepared in distilled-deionized water and dilutions up to0.01 nM were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex.
8239	1	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229].The inhibitory effects of compounds 1-14 and AZA were examined. All compounds were tested in triplicate at each concentration used.
8240	1	FAAH Assay	Frozen (&#8722;80 °C) brains (minus cerebella) from adult Wistar or Sprague-Dawley rats were thawed and homogenized in 20 mM HEPES, 1 mM MgCl2, pH 7.0. and thereafter centrifuged at ~35000 &times; g for 20 min at 4&deg;C. Homogenates were washed (by centrifugation at ~35000 &times; g for 20 min at 4&deg;C followed by resuspension in buffer) twice and incubated at 37&deg;C for 15 min in order to hydrolyse all endogenous FAAH substrates. After a further centrifugation, the pellets were resuspended in 50 mMTris-HCl buffer, pH 7.4, containing 1 mM EDTA and 3 mM MgCl2 and frozen at &#8722;80&deg;C in aliquots until used for assay. For FAAH assay [Boldrup et al., J. Biochem. Biophys. Methods, 60:171-177] test compounds, homogenates (0.5-0.8 &#956;g protein per assay, diluted with 10 mMTris-HCl, 1 mMEDTA pH 7.4) and 25 &#956;L of [3H]AEA in 10 mMTris- HCl, 1 mMEDTA, pH 7.4, containing 1% w/v fatty acid-free bovine serum albumin, final substrate concentration of 0.5 &#956;M) were incubated for 10 min at 37&deg;C (final assay volume 200 &#956;L). Reactions were stopped by placing the tubes on ice. Final assay concentrations of the solvents used for the compounds (ethanol or DMSO) were in the range 1-5%. Activated charcoal (80 &#956;L + 320 &#956;L 0.5 M HCl) was added and the samples were mixed and left at room temperature for about 30 min. Following centrifugation at 2500 rpm for 10 min, aliquots (200 &#956;L) of the supernatants were analyzed for tritium content by liquid scintillation spectroscopy with quench correction. Blank values were obtained by the use of buffer rather than homogenate.
8241	1	Bla2 Activity Assay	Bla2, in 50 mM MOPS and 30% (v/v) glycerol, was assayed for substrate activity by adding enzyme at a final concentration of 0.13 &#956;g/mL to solutions ranging from 10-70 &#956;M nitrocefin in 50 mM MOPS (pH 7.0) to a final volume of 1 mL in acrylic cuvettes at 25°C. To assess the ability of thiomaltol to inhibit the activity of Bla2, concentrations of thiomaltol ranging from 0-750 &#956;M were incubated with enzyme for various time periods at the final reaction volume less the volume of nitrocefin necessary to initiate the reaction. Each mixture was incubated anywhere from 0-60 min in 10 min intervals before initiating reactions with nitrocefin (final concentration 36 &#956;M). Reactions were monitored by observing the increase in absorbance at 485 nm and were performed in triplicate.
8241	2	Slow-Binding Inhibition Assay	Progress curves for slow-binding inhibition analysis were obtained by adding nitrocefin (final concentration 36 &#956;M) to a solution containing enzyme (0.13 &#956;g/mL) and varying concentrations of the inhibitor thiomaltol in buffer (50 mm MOPS at pH 7.0; final volume 1 mL) in acrylic cuvettes. Hydrolysis of the substrate was monitored for up to 3 min.
8243	1	Carbonic Anhydrase I, II, IV and XII Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-2573]. Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10-20 mM Hepes (pH 7.5) as buffer, and 20 mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (10 mM) were prepared in distilled-deionised water and dilutions up to 0.01 nM were done thereafter with distilled-deionised water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex.
8244	1	CO2 Hydration Assay	An applied photophysics stopped flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-2573]. Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 20 mM Hepes (pH 7.5) as buffer, and 20 mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity, in triplicate measurements. The uncatalyzedrates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (0.1 mM) were prepared in distilled-deionizedwater and dilutions up to 0.01 nM were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex [Maresca et al., Bioorg. Med. Chem. Lett., 21:1334-1337; Khalifah et al., J. Biol. Chem., 246:2561-2573; Park et al., Tetrahedron, 59:7651-7676].
8245	1	HIV-1 RT Activity Assay	HIV-1 Reverse Transcriptase Activity was measured using the colorimetric photometric immunoassay kit provided by Roche. Estimation of RT activity is achieved by quantification of the DNA synthesized by RT in a known period of time. Incubation was performed for 2 h at 37&deg;C. PolyA:oligodT RNA template:primer hybrid at a concentration of 2.2 &#956;g/ml was incubated with 20 nMof purified recombinant HIV-1 reverse transcriptase in a 50 &#956;L incubation mixture containing 50 mM Tris-HCl pH 7.8, 160 mM KCl, 11 mM MgCl2, 5.3 mM DTT, 0.5 mM EDTA, 0.3% Triton-X 100 and 10 &#956;M dTTP (unless otherwise mentioned) in the presence of digoxigeninconjugated dUTP (dUTP-DIG) and biotin-conjugateddUTP (dUTP-biotin). In a following step, the synthesised biotin-DIG-labelled DNA was bound to the surface of streptavidin-coated ELISA-plate wells. After washing out the unbound material, an antibody to digoxigenin, conjugated to peroxidase (anti-DIG-POD), was added and bound to the digoxigenin-labelled nucleotides. After a washing step and addition of the appropriate substrate, peroxidase catalyzed the transformation of the substrate, ABTS, to a yellow coloured reaction product. 15 min after ABTS addition, the coloured product was measured using a microtitre plate (ELISA) reader. For the estimation of inhibitory action of the compounds, reverse transcriptase was incubated in the presence of the potential inhibitor for 45 min at room temperature before addition of its substrates (pre-incubation).
8246	1	CA Enzyme Assay	CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 hydration [Maren et al., J. Pharm. Exp. Ther., 130:2629-2634]. The assay solution was 0.5 M Na2CO3/0.1 M NaHCO3 (pH 10.0) and Phenol Red was added as the pH indicator.
8249	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The assay was carried out in binding mixtures of the bromodomain protein, 0-10 &#956;M compounds and tetra-acetylated histone peptide (SGRGAC.KGGAC.KGLGAC.KGGAAC.KRHGSGSK-biotin) in buffer containing 25 mM HEPES pH 7.5, 100 mM NaCl, 0.1% BSA, 0.05% CHAPS, and detection reagents. The detection reagents, including streptavidin-labeled Tb cryptate and XL665-labeled anti-6×His antibody, were added after binding equilibrium was achieved for protein, compound and peptide. Upon further incubation for 1 hr, the TR-FRET signals were recorded on a BMG PHERAstar FS instrument. 
8251	1	TR-FRET Assay	Ten nanomolar of 6x Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(8-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-C1, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
13100	1	M3 Receptor Affinity Test	The experiment was performed by a radioisotope affinity assay. The M3 receptor membrane protein was prepared at 10 g/mL by Biology Department of WuXi AppTec, and compound was serially diluted in a 2.5-fold gradient in DMSO to obtain 10 concentrations. Radioisotope 3H-NMS was prepared at 0.2 nM in an assay buffer (10 mM HEPES, 1 mM MgCl2, pH 7.40). In formal testing, the experimental system comprising 1 μL of the test compound, 100 μL of M3 receptor membrane protein and 100 μL of radioisotope was shaken in a shaker at 300 RPM for 2 h at room temperature. A GF/C plate (Perkin Elmer, Cat No. 6055690) was prefoamed with 0.3% PEI, and the membrane proteins in the reaction solution were collected by filtration onto the GF/C plate.
13100	2	M2 Receptor Affinity Test	The M2 receptor membrane protein was prepared at 100 μg/mL by Biology Department of WuXi AppTec, and compound was serially diluted in a 2.5-fold gradient in DMSO to obtain 10 concentrations. Radioisotope 3H-NMS was prepared at 0.2 nM in an assay buffer (10 mM HEPES, 1 mM MgCl2, pH 7.40). In formal testing, the experimental system comprising 1 μL of the test compound, 100 μL of M2 receptor membrane protein and 100 μL of radioisotope was shaken in a shaker at 300 RPM for 2 h at room temperature. A GF/C plate (Perkin Elmer, Cat No. 6055690) was prefoamed with 0.3% PEI, and the membrane proteins in the reaction solution were collected by filtration onto the GF/C plate
13101	1	Homogenous Time-Resolved Fluorescence (HTRF) Assays	Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 μl of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 μl of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 μl was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD80-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively).
13102	1	Protein-Protein Interaction (PPI) Assay	The assay was carried according to the manufacturer&#39;s instructions. Compounds at an initial concentration of 10 mM in DMSO were first serially diluted on a 384-well plate using assay buffer at a ratio of 1:3 for a total of 9 concentrations with each of a volume of 20 μL. Blank buffer was included as the negative control. The final compound solution was in the buffer solution with 1% DMSO. Then, in each well of a 384-well plate, a solution of 2 μL compound solution, 4 μL tagged SOS1 and KRAS (G12C) protein stocks, respectively, and 10 μM GTP was incubated for 15 min. 10 μL mixture of anti-Tag1X665 antibody and anti-Tag1-Terbium antibody was introduced to each individual well. After 2 hours incubation at room temperature, fluorescence readout was measured with a Pelkin Elmer multiple plate reader VICTOR Nivo.
13103	1	ATPase Assay	POLθ-mediated ATP hydrolysis was measured using the ADP-Glo Kinase Assay (Promega Corporation, Madison, WI). Reactions were performed in white 384-well small-volume microplates (Greiner Bio-One, Frickenhausen, Germany) using a total volume of 15 μL. The ATPase reaction consisted of 1 nM biotinylated Avi-POLθ[2-894], 5 nM of a 50 nucleotide poly-thymine repeat single-stranded DNA (PolyT(50) ssDNA), and 100 μM ATP in 5 μL of assay buffer (50 mM Tris, pH 7.5, 80 mM KCl, 10 MgCl2, 1 mM DTT, 5% glycerol, 0.01% BSA, 0.01% Tween-20). Inhibition of POLΘATPase activity was determined by preparing 11-point serial dilutions of the test compounds in 100% DMSO, then transferring 30 nL of the compounds into the ATPase reaction using an Echo acoustic liquid handler (Beckman Coulter, Brea, CA). DMSO-treated wells containing either all of the reaction components (1 nM biotinylated Avi-POLθ[2-894], 5 nM PolyT(50) ssDNA, 100 μM ATP) or with assay buffer substituted for the biotinylated Avi-POLθ[2-894](0 nM biotinylated Avi-POLθ[2-894], 5 nM PolyT(50) ssDNA, 100 μM ATP) were used to define the maximum and minimum response in the assay. Following a one-hour incubation at ambient temperature, 5 μL of ADP-Glo Reagent was added to the ATPase reaction, and this mixture was allowed to incubate at ambient temperature for an additional hour. Lastly, 5 μL of Kinase Detection Reagent was added, followed by a third one-hour incubation at ambient temperature. The reagent concentrations listed represent the amounts only in the 5 μL ATPase reaction volume.
8254	1	Biochemical HTRF Assay	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &mu;L of 1.11&times; enzyme and 1.11&times; substrate in 1&times; assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at ambient temperature to allow compound binding to equilibrate. After equilibration, 2 &mu;L of 10&times;ATP in 1&times; assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at ambient temperature for 120 minutes. At the end of the incubation, 20 &mu;L of 2&times; stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at ambient temperature and then read on a Perkin Elmer Envision (&lambda;ex=337 nm, &lambda;em=665 and 615 nm, TRF delay time=20 &mu;s). HTRF signal=10,000*665 nm reading/615 nm reading.
8255	1	33P-Based Assay	The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based assay using SAMS peptide (commercially available) derived from ACC-1. Twenty l of phosphorylated AMPK diluted in assay buffer, (50 mM HEPES, 1 mM EGTA, 10 mM MgCl2, 0.25 mM DTT, 0.01% Tween-20, 0.01% BSA (pH 7.5)) was added to 384 well plates containing 1 &mu;L of test compound. Following a fifteen minute room temperature incubation, 10 L of protein phosphatase PP2A was added to the plate to dephosphorylate pThr172 of AMPK. After incubation for 90 minutes, 10 &mu;L of substrate mixture containing 41 nM okadaic acid, 82 &mu;M SAMS peptide, 82 &mu;M ATP and tracer amounts (6.8 nM) of 33P-containing ATP was added to the plate. The reaction was terminated after 60 minutes incubation at room temperature by the addition of 15 &mu;L of 2% H3PO4. Subsequently, 45 &mu;l of reaction mix was transferred to 384 well Millipore MZPH filter plates (MZPHNO50) pre-treated with 25 &mu;L of 2% H3PO4 and the plates were washed three times with assay buffer. 20 &mu;L of Ready Safe scintillation fluid was added to dried plates followed by detection on the Trilux detector.
8256	1	Fluorescence Polarization Competition Immunoassay	An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selected compounds of Formula I. The assay was performed in black 96-well microplates (LJL BioSystems). The assay buffer used was 100 mM 4-(2-hydroxyethyl)piperazine 1-ethanesulfonic acid (HEPES), pH 7.5, 1 mM 1,4-dithio-DL-threitol (DTT), 0.01% (v/v) Tween-20. Compounds were diluted in assay buffer containing 4% dimethylsulfoxide (DMSO) just prior to the assay. To each well, 5 &mu;L of compound were added followed by the addition of 3 &mu;L of a mix containing 33 nM c-fms (Johnson & Johnson PRD) and 16.7 mM MgCl2 (Sigma) in assay buffer. The kinase reaction was initiated by adding 2 &mu;L of 5 mM ATP (Sigma) in assay buffer. The final concentrations in the assay were 10 nM c-fms, 1 mM ATP, 5 mM MgCl2, 2% DMSO. Control reactions were ran in each plate: in positive and negative control wells, assay buffer (made 4% in DMSO) was substituted for the compound; in addition, positive control wells received 1.2 &mu;L of 50 mM ethylenediaminetetraaceticacid (EDTA). The plates were incubated at room temperature for 45 min. At the end of the incubation, the reaction was quenched with 1.2 &mu;L of 50 mM EDTA (EDTA was not added to the positive control wells at this point; see above). Following a 5-min incubation, each well received 10 &mu;L of a 1:1:3 mixture of anti-phosphotyrosine antibody, 10&times;, PTK green tracer, 10&times; (vortexed), FP dilution buffer, respectively (all from PanVera, cat. #P2837). The plate was covered, incubated for 30 min at room temperature and the fluorescence polarization was read on the Analyst. The instrument settings were: 485 nm excitation filter; 530 nm emission filter; Z height: middle of well; G factor: 0.93. Under these conditions, the fluorescence polarization values for positive and negative controls were approximately 300 and 150, respectively, and were used to define the 100% and 0% inhibition of the c-fms reaction.
8257	1	Cellular Inhibition Assay	V79MZ cells expressing human CYP11B1 and human CYP11B2 genes, respectively, were grown on 24-well cell culture plates (8&times;10^5 cells per well) with 1.9 cm^2 culture area per well in 1 ml DMEM culture medium until confluence. Before testing, the DMEM culture medium was removed and 450 &mu;l of fresh DMEM, containing the inhibitor in at least three different concentrations for determining the IC50 value, was added to each well. Every value was determined at least three times. After a pre-incubation step of 60 min at 37&deg; C., the reaction was started by the addition of 50 &mu;l of DMEM containing the substrate 11-deoxycorticosterone (containing 0.15 &mu;Ci of [1,2-3H] 11-deoxycorticosterone, dissolved in ethanol, final concentration 100 nM). The V79MZh11B1 cells were incubated for 25 min, the V79MZh11B2 cells were incubated for 50 min. Controls were treated in the same way without inhibitors. The maximum DMSO concentration in each well was 1%. Enzyme reactions were stopped by extracting the supernatant with 500 &mu;l ethyl acetate. Samples were centrifuged (10000&times;g, 2 min), and the solvent was pipetted into fresh cups. The solvent was evaporated and the steroids were redissolved in 40 &mu;l of methanol and analyzed by HPLC using radioflow detection (Ehmer et al. J. Steroid Biochem. Mol. Biol. 2002, 81, 173-179 and Denner et al. Endocr. Res. 1995, 21, 443-448).
8258	1	Binding Assay	Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at rt. Compounds were tested in a 7 (Test A1) or 10 (Test A2) concentration response curve ranging from 10 nM to 10 &#956;M (Test A1) or 1 nM to 37 &#956;M (Test A2). Compounds were spotted at the bottom of a well of a 384-well PE Opti-Plate to yield final DMSO concentrations in the assay of 2%. Pre-made MBP-MR/P23 lysate: 3H-aldosterone mix (final assay concentration 7 &#956;g/mL MBP-MR LBD/P23 lysate; 5 nM aldosterone) was added onto the top of the spotted compound and preincubated for 1 h at RT. After 1 h an equal volume anti-rabbit SPA beads coupled with rabbit anti-MBP were added to the assay mixture and incubated for 3 hrs at rt. The inhibition of the scintillation signal by displacement of the bound 3H-aldosterone by test compounds is measured by scintillation counting using a Microbeta Trilux (Wallac).
8258	2	Binding Assay	Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at rt. Compounds were tested in a 7 (Test A1) or 10 (Test A2) concentration response curve ranging from 10 nM to 10 &#956;M (Test A1) or 1 nM to 37 &#956;M (Test A2). Compounds were spotted at the bottom of a well of a 384-well PE Opti-Plate to yield final DMSO concentrations in the assay of 2%. Pre-made MBP-MR/P23 lysate: 3H-aldosterone mix (final assay concentration 7 &#956;g/mL MBP-MR LBD/P23 lysate; 5 nM aldosterone) was added onto the top of the spotted compound and preincubated for 1 h at RT. After 1 h an equal volume anti-rabbit Imaging beads coupled with rabbit anti-MBP were added to the assay mixture and incubated for >8 h at rt. The inhibition of the scintillation signal by displacement of the bound 3H-aldosterone by test compounds is measured by scintillation counting using a CCD camera detection using a LEADseeker (PerkinElmer).
8259	1	Capsaicin-Based Assay	One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the experiment, the cells were washed with 0.2 mL 1&times; Hank's Balanced Salt Solution (Life Technologies) containing 1.6 mM CaCl2 and 20 mM HEPES, pH 7.4 ("wash buffer"). Subsequently, the cells were loaded by incubation in 0.1 mL of wash buffer containing Fluo-4 at 3 &mu;M final concentration. After 1 hour, the cells were washed twice with 0.2 mL wash buffer and resuspended in 0.1 mL wash buffer. The plates were then transferred to a Fluorescence Imaging Plate Reader (Molecular Devices). Fluorescence intensity was monitored for 15 seconds to establish a baseline. Subsequently, test compounds diluted in assay buffer (lx Hank's Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) containing 1% DMSO were added to the cell plate and fluorescence was monitored for 2 minutes. The final concentration of the compound was adjusted to range from 100 M to 1.5625 &mu;M. If the test compound was an especially potent antagonist, the final concentration of the compound was adjusted to range from 10 M to 1.5625 nM. Human TRPV1 was then activated by the addition of 50 &mu;L capsaicin (100 nM final concentration) and plates incubated for an additional 3 min.
8259	2	pH Assay	Culture medium was removed using an 8-channel-pipette (Rainin, USA) from the 96-well plate and the wells were refilled with 100 &mu;L of loading buffer (20 mM HEPES, 115 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2, 1.8 mM CaCl2, 13.8 mM D-glucose, 2.5 mM probenecid, pH 7.4) containing 5 M Fura-2 AM (Dojin, Japan). The 96-well plate was incubated at 37&deg; C. for 45 min. The cells were washed twice with 150 &mu;L of measuring buffer (mentioned in step 2.2.(3) of Protocol 2, no probenecid). The wells were subsequently refilled with 70 &mu;L of measuring buffer. Either 10 &mu;L of measuring buffer or 10 &mu;L of 10&times; stock serial dilution of test compound (described in step 3.2. above) were applied to each well. Usually, only one test compound was tested per 96-well plate. The number of replicates per 96-well plate for a particular antagonist at a particular concentration was 2&times;7 since, as described for the "agonist plate," two different sulfuric acid concentrations were used per 96-well plate and seven lanes (A-C, E-H) per 96-well plate were used (N=2&times;7). After an incubation at 4&deg; C. for 15 min, the 96-well plate was transferred to a model FDSS-3000 plate reader apparatus (Hamamatsu Photonics K.K., Japan). Fura-2 fluorescent intensity was monitored as described in step 2.2.(5) above. After 16 time points of baseline detection, 20 &mu;L of agonist solution (measuring buffer titrated with H2SO4 to yield a pH in the range of from about 5.0 to about 5.1 when mixed 1:4 with the measuring buffer containing test compound) was added to each well (final volume 100 &mu;L/well).
8260	1	Fluorescence Polarization-Based Binding Assay	Sensitive and quantitative FP-based binding assays were developed and optimized to determine the binding affinities of small-molecule inhibitors to the recombinant Mcl-1, A1/Bfl-1, Bcl-w, Bcl-2, and Bcl-xL proteins. The concentrations of the proteins used in the competitive binding experiments were 10 nM for Mcl-1, 80 nM for Bcl-xL, and 60 nM for Bcl-2. The fluorescent probes, Flu-BID or FAM-BID were fixed at 2 nM for all assays, which binds with Kd values of 2.3 nM, 14.2 nM and 24.1 nM against Mcl-1, Bcl-2 and Bcl-xL respectively. 5 &#956;L of the tested compound in DMSO and 120 &#956;L of protein/probe complex in the assay buffer (20 mM phosphate pH 7.4, 50 mM NaCl, 1 mM EDTA. 0.05% Pluronic F68)s) were added to 96 well black assay plates, incubated at room temperature for 3 h and the polarization values (mP) were measured at an excitation wavelength at 485 nm and an emission wavelength at 530 nm using the plate reader Synergy H1 Hybrid, BioTek. 
8261	1	Enzyme Assay	To 2.5 &mu;l of supernatant (in 96-well plates) was added 17.5 &mu;l reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 &mu;l of 4-methyl umbelliferone (4-MU)-labeled substrate, &beta;-glucopyranoside, or a labeled negative controls &alpha;-glucopyranoside or &alpha;-galacatopyranoside). Plates were incubated at 370 for 1 hour, followed by the addition of 70 &mu;l stop buffer (0.4 M glycine-NaOH, pH 10.6). Activity of GCase was determined by measuring the emission at 460 nm by exciting at 355 nm using a 1 second read time per well (Victor2 multilabel counter-Wallac).
8262	1	Gel-based Assay 	A 5&#8242;-[32P]-labeled single-stranded DNA oligonucleotide containing a 3&#8242;-phosphotyrosine (N14Y) was generated as described by Dexheimer et al. The DNA substrate was then incubated with 5 pM recombinant Tdp1 in the absence or presence of inhibitor for 15 min at room temperature in a buffer containing 50 mM Tris HCl, pH 7.5, 80 mM KCl, 2 mM EDTA, 1 mM DTT, 40 &#956;g/ml BSA and 0.01% Tween-20. Reactions were terminated by the addition of 1 volume of gel loading buffer [99.5% (v/v) formamide, 5 mM EDTA, 0.01% (w/v) xylene cyanol, and 0.01% (w/v) bromophenol blue]. Samples were subjected to a 16% denaturing PAGE and gels were exposed after drying to a Phosphorlmager screen (GE Healthcare). Gel images were scanned using a Typhoon 8600 (GE Healthcare) and densitometric analyses were performed using the ImageQuant software (GE Healthcare).
8263	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 75-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8264	1	DELFIA&reg; Assay	In vitro CHK2 kinase activity was measured in a DELFIA&reg; assay that monitors phosphorylation of a CDC25C peptide using a specific phospho antibody. The enzyme reaction was carried out in 96-well polypropylene plates (Greiner). The reaction mix (total volume 25 &mu;L) contained enzyme and peptide mix (15 &mu;L) (containing CHK2, prepared in-house, 1 nM; Biotin-KKKVSRSGLYRSPSMPENLNRPR, 1 &mu;M), ATP (30 &mu;M, 5 &mu;L) and either DMSO (2.5%) or test compound (5 &mu;L) diluted to a give a range of concentrations (0-100 &mu;M in 2.5% DMSO, final concentrations) in assay buffer (40 mM HEPES (pH 7.4), 40 mM KCl, 2 mM MgCl2, 10 mM DTT and 0.02% Tween 20). The reaction mixture was incubated for 30 minutes at room temperature and stopped by the addition of buffer (125 &mu;L) containing 40 mM EDTA, 0.05% Tween 20, 0.1% BSA in TBS (10&times; concentrate, Sigma). An aliquot (100 &mu;L) of the reaction mix was transferred to a black neutravidin-coated 96-well plate (Perbio) and incubated for 1 hour on a shaker (Titertek, Flow Laboratories) at room temperature. The plates were washed four times with wash buffer (25 mM Tris (pH 8), 150 mM NaCl and 0.1% Tween 20) (WellWash4, Thermo Life Sciences) and incubated for 1 hour as before with antibody mix (100 &mu;L) consisting of anti-phospho CDC25C (diluted 1/4000 equivalent to 0.35 nM-1.25 nM, #9528, Cell Signalling Technology) and europium-labelled anti rabbit IgG, (0.3 &mu;g/mL, AD0105, PerkinElmer Life Sciences) diluted in DELFIA&reg; assay buffer (PerkinElmer Life Sciences). The plates were washed a further four times with wash buffer before the addition of enhancement solution (100 &mu;L/well, PerkinElmer Life Sciences). The plate was read on a Victor2 1420 multi label counter (PerkinElmer Life Sciences) using a time-resolved measurement mode reading fluorescence at 615 nM.
8265	1	Fluorescence Polarization Competition Immunoassay	An autophosphorylation, fluorescence polarization competition immunoassay was used to determine the potency for c-fms inhibition exhibited by selected compounds of Formula I. The assay was performed in black 96-well microplates (LJL BioSystems). The assay buffer used was 100 mM 4-(2-hydroxyethyl)piperazine 1-ethanesulfonic acid (HEPES), pH 7.5, 1 mM 1,4-dithio-DL-threitol (DTT), 0.01% (v/v) Tween-20. Compounds were diluted in assay buffer containing 4% dimethylsulfoxide (DMSO) just prior to the assay. To each well, 5 &mu;L of compound were added followed by the addition of 3 &mu;L of a mix containing 33 nM c-fms (Johnson & Johnson PRD) and 16.7 mM MgCl2 (Sigma) in assay buffer. The kinase reaction was initiated by adding 2 &mu;L of 5 mM ATP (Sigma) in assay buffer. The final concentrations in the assay were 10 nM c-fms, 1 mM ATP, 5 mM MgCl2, 2% DMSO. Control reactions were ran in each plate: in positive and negative control wells, assay buffer (made 4% in DMSO) was substituted for the compound; in addition, positive control wells received 1.2 &mu;L of 50 mM ethylenediaminetetraaceticacid (EDTA). The plates were incubated at room temperature for 45 min. At the end of the incubation, the reaction was quenched with 1.2 &mu;L of 50 mM EDTA (EDTA was not added to the positive control wells at this point; see above). Following a 5-min incubation, each well received 10 &mu;L of a 1:1:3 mixture of anti-phosphotyrosine antibody, 10&times;, PTK green tracer, 10&times; (vortexed), FP dilution buffer, respectively (all from PanVera, cat. # P2837). The plate was covered, incubated for 30 min at room temperature and the fluorescence polarization was read on the Analyst. The instrument settings were: 485 nm excitation filter; 530 nm emission filter; Z height: middle of well; G factor: 0.93. Under these conditions, the fluorescence polarization values for positive and negative controls were approximately 300 and 150, respectively, and were used to define the 100% and 0% inhibition of the c-fms reaction.
8248	1	[35S]TBPS Binding Assay	Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 &#956;M GABA, 2 nM [35S]TBPS (45&#8722;120 Ci/mmol), and 5 &#956;L aliquots of steroid in DMSO solution (final assay concentrations ranged from 1 nM to 10 &#956;M), and brought to a final volume of 1 mL with 200 mM NaCl, 50 mM potassium phosphate buffer, pH 7.4. Control binding was defined as binding observed in the presence of 0.5% DMSO and the absence of steroid. Nonspecific binding was defined as binding observed in the presence of 200 &#956;M picrotoxinin and ranged from 6.1 to 14.3% of total binding. Assay tubes were incubated for 2 h at room temperature. 
8250	1	In Vitro Assay	Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
8250	2	In Vitro Assay	Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/mL, respectively in the same buffer containing 150 mM NaCl, 2 mg/mL PEG6000, 50 mM Tris-HCl (pH7.4), except that the reactions were started with 300 &#956;M S-2222 (phenyl-Ile-Glu-Gly-Arg-pNA, Chromogenix) and 300 &#956;M S-2366, respectively.
8266	1	Omnia Assay	Briefly, 10&times; stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13&times;ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1&times; kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &beta;-glycerophosphate, 5% glycerol (10&times; stock, KB002A) and 0.2 mM DTT (DS001A). 5 &mu;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25&degree; C. with a 0.5 &mu;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &mu;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &lambda;ex360/&lambda;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.).
8266	2	Cell Assay	A431 human epidermoid carcinoma, H1975 human NSCLC and HCC827 human NSCLC adenocarcinoma cells were obtained from the American Type Culture Center (Manassas, Va.). A431 cells were grown in DMEM (Invitrogen, Carlsbad, Calif.) supplemented with 10% FBS (HyClone, South Logan, Utah) and 1% Penicillin-Streptomycin (P/S, Lonza, Walkersville, Md.). H1975 and HCC827 cells were grown in complete RPMI 1640 (Invitrogen) supplemented with 10% FBS and 1% P/S. All cells were maintained and propagated as monolayer cultures at 37° C. in a humidified 5% CO2 incubator.All primary antibodies were obtained from Cell Signaling (Danvers, Mass.) and used at 1:1000. Secondary antibodies were used at 1:10,000. Goat anti-mouse IgG IRDye 800CW antibody was obtained from LiCor Biosciences (Lincoln, Nebr.) and goat anti-rabbit IgG Alexa Fluor 680 was obtained from Invitrogen.
8267	1	CA Activity Assay	CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] The enzymatic reaction, in a total volume of 1 mL, contained 50 mM Tris-SO4 buffer (pH = 7.4), 3 mM 4-nitrophenylacetate and enzyme solution. A reference measurement was done by using the same cuvette without enzyme solution. The inhibitory effects of some synthesized sulfonamide derivatives on CA enzyme activity purified from human erythrocyte were tested on three samples at each concentration used.
8268	1	Hydratase Activity Assay	Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J. Biol. Chem., 176:147-154].
8268	2	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of3 min at 25°C using a spectrophotometer (CHEBIOS UV-VIS) according to the method described in the literature [Verpoorte et al., J. Biol. Chem., 242:4221-4229; Innocenti et al., Bioorg. Med. Chem. Lett., 18:2267-2271]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL of 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL of 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution.
8268	3	CA Activity Assay	The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; B lb l et al., J. Enzyme Inhib. Med. Chem., 18:371-375; Cift i et al., J. Enzyme Inhib. Med. Chem., 20:103-108; Hisar et al., J. Appl. Anim. Res., 30:185-188; Winum et al., Bioorg. Med. Chem. Lett., 15:3302-3306].
8269	1	Esterase Activity Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometer (CHEBIOS UV-VIS) according to the method described in the literature [Verpoorte et al., J. Biol. Chem., 242:4221-4229; Innocenti et al., Bioorg. Med. Chem. Lett., 18:2267-2271]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL of 0.05 M tris-SO4 buffer (pH 7.4), 1 mL of 3 mM 4-nitrophenylacetate, 0.5 mL H2O and 0.1 mL enzyme solution.
8269	2	CA Activity Assay	The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; B lb l et al., J. Enzyme Inhib. Med. Chem., 18:371-375; Cift i et al., J. Enzyme Inhib. Med. Chem., 20:103-108; Hisar et al., J. Appl. Anim. Res., 30:185; Winum et al., Bioorg. Med. Chem. Lett., 15:3302-3306].
8252	1	cAMP Assay	A 384-well drug plate was prepared to contain test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA cells expressing a target PG receptor subtype (EP2 or EP4) were suspended in a stimulation buffer (HBSS, 0.1% BSA, 0.5 mM IBMX and 5 mM HEPES, pH 7.4) in a density of 104 cells/5 &#956;l. The reaction was initiated by mixing 5 &#956;L drug dilutions with 5 &#956;l of HEK-EBNA cells in a well, carried out for 30 min at room temperature, and followed by the addition of 5 &#956;l anti-cAMP acceptor beads in the control buffer with Tween-20 (25 mM NaCl, 0.03% Tween-20, 5 mM HEPES, pH7.4). After 30 min in the dark at room temperature, the mixtures were incubated with 15 &#956;l biotinylated-cAMP/strpavidin donor beads in Lysis/Detection buffer (0.1% BSA, 0.3% Tween-20 and 5 mM HEPES, pH7.4) for 45 min at the room temperature. Fluorescence changes were read using a Fusion-alpha HT microplate reader. 
8252	2	Radioligand Binding Assay	 The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buffer to give a final 1 mg/ml protein concentration, as determined by Biorad assay. Radioligand binding competition assays vs. [3H-]17-phenyl PGF2a , (5 nM) were performed in a 100 &#956;l volume for 60 min. Binding reactions were started by adding plasma membrane fraction. The reaction was terminated by the addition of 4 ml ice-cold TRIS-HCl buffer and rapid filtration through glass fiber GF/B filters using a Brandel cell harvester. The filters were washed 3 times with ice-cold buffer and oven dried for one hour. [3H-] PGE2 (specific activity 180 Ci mmol) was used as the radioligand for EP receptors. [3H] 17-phenyl PGF2a, was employed for FP receptor binding studies. Binding studies employing EP1, EP2, EP4 and FP receptors were performed in duplicate in at least three separate experiments. A 200 &#956;l assay volume was used. Incubations w
8252	3	FLIPR Assay	Calciium Signal Studies of the Flipr. Cells were seeded at a density of 5×104 cells per well in Biocoati Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) and allowed to attach overnight in an incubator at 37° C. Cells were then washed two times with HBSS-HEPES buffer (Hanks Balanced Salt Solution without bicarbonate and phenol red, 20 mM HEPES, pH 7.4) using a Denley Cellwash plate washer (Labsystems). After 45 minutes of dye-loading in the dark, using the calcium-sensitive dye Fluo-4 AM at a final concentration of 2 &#956;M, plates were washed four times with HBSS-HEPES buffer to remove excess dye leaving 100 &#956;l in each well. Plates were re-equilibrated to 37° C. for a few minutes. Cells were excited with an Argon laser at 488 nm, and emission was measured through a 510-570 nm bandwidth emission filter (FLIPR, Molecular Devices, Sunnyvale, Calif.). Drug solution was added in a 50 &#956;l volume to each well to give the desired final concentration.
8253	1	Radioligand Binding Assay	Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a concentration of 400 &mu;M in dilution buffer and then serially diluted 5&times; with dilution buffer to final concentrations ranging from 10 pM to 100 &mu;M. The order of addition and volumes added to the assay plates were as follows: 25 &mu;L radioligand, 25 &mu;L diluted test compound, and 50 &mu;L membranes. Assay plates were incubated for 6 hours at 37&deg; C. Binding reactions were terminated by rapid filtration over GF/B glass fiber filter plates (PerkinElmer, Inc.) pre-treated in 1% BSA. Filter plates were rinsed three times with wash buffer (10 mM HEPES) to remove unbound radioactivity. The plates were then air-dried and 50 &mu;L Microscint-20 liquid scintillation fluid (PerkinElmer, Inc.) were added to each well. The plates were then counted in a PerkinElmer Topcount liquid scintillation counter (PerkinElmer, Inc.).
8253	2	cAMP Assay	cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, PerkinElmer Life Sciences Inc., Boston, Mass.), according to the manufacturers instructions. For this assay, HEK-293 cell lines stably expressing cloned human &beta;1 or &beta;2 receptors were grown to near confluency in DMEM supplemented with 10% FBS and Geneticin (500 &mu;g/mL); or CHO-K1 cell lines stably expressing cloned human &beta;3 adrenergic receptors were grown to near confluency in Hams F-12 media supplemented with 10% FBS and Geneticin (250 &mu;g/mL). Cells were rinsed with PBS and detached in dPBS (Dulbecco's Phosphate Buffered Saline, without CaCl2 and MgCl2) containing 2 mM EDTA or Trypsin-EDTA solution (0.05% trypsin/0.53 mM EDTA). After counting cells in Coulter cell counter, cells were pelleted by centrifugation at 1,000 rpm and re-suspended in stimulation buffer containing TBMX (PerkinElmer Kit) pre-warmed to room temperature to a concentration of 1.6&times;106 to 2.8&times;106 cells/mL. About 40,000 to 80,000 cells per well were used in this assay. Test compounds (10 mM in DMSO) were diluted into PBS containing 0.1% BSA in Beckman Biomek-2000 and tested at 11 different concentrations ranging from 100 &mu;M to 1 pM. Reactions were incubated for 10 min at 37&deg; C. and stopped by adding 100 &mu;L of cold detection buffer containing [125I]-cAMP (NEN SMP004, PerkinElmer Life Sciences, Boston, Mass.).
8247	1	Inhibition Assay	The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and BRAF V600E, using Kinase Profiling Service (Invitrogen) according to the manufacturer&#39;s instructions. The levels of the inhibitory activities of the compounds against the enzymes were calculated as % inhibitory activities at various concentrations. Based on the % inhibitory activities, dose-response curves were plotted and IC50 values were calculated using GraphPad Prism software. 
8247	2	Inhibition Assay	In a similar manner to Experimental Example 1, the % inhibitory activity (concentration of the compound 1.0 &#956;M) and the IC50 values of the inventive compound of Example 1 against various kinases were obtained by using Kinase Profiling Service (Invitrogen) according to the manufacturer&#39;s instructions. 
8242	1	Yeast FTase Assay	Assays were realized on 96-well plates, prepared with Biomek NKMC and Biomek 3000 from Beckman Coulter and read on Wallac Victor fluorimeter from Perkin-Elmer. Per well, 20 &#956;L of farnesyl pyrophosphate (10 &#956;M) was added to 180 &#956;L of a solution containing 2 &#956;L of varied concentrations of potential inhibitors (dissolved in DMSO) and 178 &#956;L of a solution composed by 0.1 mL of partially purified recombinant yeast FTase (2.2 mg/ mL) and 7.0 mL of dansyl-GCVLS peptide (in the following buffer: 5.8 mM DTT, 6 mM MgCl2, 12 &#956;M ZnCl2 and 0.09% (w/v) CHAPS, 53 mM Tris/HCl, pH 7.5). Then the fluorescence development was recorded for 15 min(0.7 second per well, 20 repeats) at 30°C with an excitation filter at 340 nm and an emission filter at 486 nm. Each measurement was realized twice as duplicate ortriplicate.
8242	2	Human FTase Assay	Assays were realized on 96-well plates, as described for yeast FTase but octyl-D-glucopyranoside (0.18%) was used instead of CHAPS and the solution contains 5 &#956;Lof partially purified human FTase (1.5 mg/mL)7 in 1 mL peptide solution.
8242	3	T. brucei FTase Assay	Assays were realized on 96-well plates, as described for human FTase with the dansylated peptide Dansyl-GCAIM and the solution contains 15 &#956;L of partially purified Tb-FTase (1.0 mg/mL) in 1 mL peptide solution.
8270	1	Homogeneous Time Resolved Fluorescence Assay (HTRF)	The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112) and employs HTRF&reg; (homogeneous time resolved fluorescence) technology to detect the product in a 96-well plate format. The phosphorylation of biotinylated-BAD (S112) peptide by full length recombinant Pim-1, Pim-2, or Pim-3 protein was detected with streptavidin:Allophycocyanin (APC) conjugate and a europium (Eu) labeled antibody directed against phosphorylated-BAD (S112). Excitation of Eu by a high energy laser light (337 nm) leads to a transfer of energy to the APC molecule, and results in an emission at 665 nm. The fluorescence is directly proportional to the amount of phosphorylated BAD peptide present in the reaction. Compounds were prepared in DMSO by conducting 3-fold serial dilutions to give a 10-point dosing curve having a high dose of 1 &mu;M. A reference compound was included on each assay plate in order to validate that plate; on one plate of every assay run, two additional reference compounds were included. The final buffer conditions were as follows: 60 mM Hepes, pH 7.0, 0.05% BSA, 2 mM DTT. Incubations were carried out at RT (22&deg; C.) for 2 h for Pim-1, 1 hour and 30 min for Pim-3, and 45 min for Pim-2. The reaction was stopped by the addition of 3 mM EDTA, and fluorescence was measured by an HTRF&reg; Rubystar microplate reader.
8270	2	Homogeneous Time Resolved Fluorescence Assay (HTRF)	The assay for the determination of Pim activity is based on the formation of phosphorylated biotinylated-BAD peptide at the Serine 112 residue (S112) and employs HTRF&reg; (homogeneous time resolved fluorescence) technology to detect the product in a 384-well plate format. The phosphorylation of biotinylated-BAD (S112) peptide by full length recombinant Pim-1, Pim-2, or Pim-3 protein was detected with streptavidin:Allophycocyanin (APC) conjugate and a europium (Eu) labeled antibody directed against phosphorylated-BAD (S112). Excitation of Eu by a high energy laser light (337 nm) leads to a transfer of energy to the APC molecule, and results in an emission at 665 nm. The fluorescence is directly proportional to the amount of phosphorylated BAD peptide present in the reaction. Compounds were prepared in DMSO by conducting 3-fold serial dilutions to give a 22-point dosing curve having a high dose of 1 &mu;M. A reference compound was included on each assay plate [Costar 3658] in order to validate that plate; on one plate of every assay run, two additional reference compounds were included. The Reaction Buffer consisted of 45 mM Hepes, pH 7.0, 15 mM NaCl, and 1 mM MgCl. The quench/detection buffer consisted of 50 mM Tris, 100 mM NaCl, 0.05% BSA, 0.1% Tween and 3 mM EDTA. Biotinylated BAD peptide (Biopeptide), 10 mM ATP (Sigma), Labeled p-BAD (S112) mAb (Cell Signalling and Perkin Elmer) [with 0.05% BSA and 2 mM DTT added] streptavidin:Allophycocyanin [Perkin Elmer]. Final concentrations either Pim-1 enzyme [5 pM], or Pim-2 enzyme [0.5 pM], DMSO [1%], BLC BAD (S112) [0.5 &mu;M], ATP [1.5 &mu;M], streptavidin:Allophycocyanin [0.002 mg/mL] and biotinylated-BAD (S112) mAb [100 pM]. Initial incubations were carried out at RT (22&deg; C.) for 30 min for both Pim-1 and for Pim-2. Pim enzyme is added to compound in buffer, and plates are incubated of 30 min. Biotinylated BAD and ATP are added and plates are incubated for 1 h. A mixture of labeled p-BAD (S112) mAb and quench/detection buffer are added and incubated for 2 h. Fluorescence was measured by an HTRF&reg; Envision microplate reader.
8271	1	TR-FRET Assay	Ten nanomolar of 6&times; Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37&deg; C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
8272	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 2.7 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8272	2	Kinase Assay	Biochemical PDGFR&beta; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &mu;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &mu;L reaction volumes containing 36 &mu;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &mu;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30&deg; C., the reactions were washed 2 mls per well PBS-T. 100 &mu;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &mu;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &mu;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
8274	1	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	Assay 1: This assay was used to evaluate compounds displaying inhibition of p53-MDM2 interaction and p53-MDM4 interaction at IC50s of 0.005 to 50 &mu;M (p53-MDM2 Assay 1 and p53-MDM4 Assay 1, respectively). The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 &mu;L by adding 1 &mu;L of compounds tested at different concentrations diluted in 100% DMSO (1.7% final DMSO concentration) in reaction buffer (PBS, 125 mM NaCl, 0.001% Novexin (consists of carbohydrate polymers), designed to increase the solubility and stability of proteins; Expedeon Ltd., Cambridgeshire, United Kingdom), 0.01% Gelatin, 0.01% 0.2%, Pluronic F-127 (block copolymer from ethylenoxide and propyleneoxide), 1 mM DTT). After addition of 1.25 nM MDM2-biotinylated or 2.5 nM MDM4-biotinylated (internal preparations, both MDM2 and MDM4 are biotinylated at the C-terminal of the peptide construct), and 0.625 nM Europium labeled streptavidin (Perkin Elmer), the solution is pre-incubated for 15 minutes at room temperature, then 10 nM Cy5-p53 peptide (internal preparation, the Cy5 dye is directly bound to the N-terminal part of p53 peptide construct) is added before an incubation at room temperature for 15 minutes prior to reading the plate. For measurement of samples, a Victor II microplate reader (Perkin Elmer) is used with the following settings: Excitation 340 nm, Emission Donor 620 nm and Emission Acceptor 665 nm.
8274	2	Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay	Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1 nM MDM2, 0.1 nM Europium labeled streptavidin and Tecan genios Pro is used as a microplate reader for the fluorescence measurements (p53-MDM2 Assay 2). The test is performed in white 384-well plates (Greiner Bio-One, reference 781207) in a total volume of 60 &mu;L by adding 1 &mu;L of compounds tested at different concentrations diluted in 100% DMSO (1.7% final DMSO concentration) in reaction buffer (PBS, 125 mM NaCl, 0.001% Novexin (consists of carbohydrate polymers), designed to increase the solubility and stability of proteins; Expedeon Ltd., Cambridgeshire, United Kingdom), 0.01% Gelatin, 0.01% 0.2%, Pluronic F-127 (block copolymer from ethylenoxide and propyleneoxide), 1 mM DTT). After addition of 1.25 nM MDM2-biotinylated or 2.5 nM MDM4-biotinylated (internal preparations, both MDM2 and MDM4 are biotinylated at the C-terminal of the peptide construct), and 0.625 nM Europium labeled streptavidin (Perkin Elmer), the solution is pre-incubated for 15 minutes at room temperature, then 10 nM Cy5-p53 peptide (internal preparation, the Cy5 dye is directly bound to the N-terminal part of p53 peptide construct) is added before an incubation at room temperature for 15 minutes prior to reading the plate. For measurement of samples, a Victor II microplate reader (Perkin Elmer) is used with the following settings: Excitation 340 nm, Emission Donor 620 nm and Emission Acceptor 665 nm.
8275	1	Lanthanide Fluoro-Immunoassay	The c-Met kinase inhibitory activity was analyzed using dissociation enhanced lanthanide fluoro-immunoassay (DELFIA, Perkin Elmer), which is a kind of time-resolved fluorescence (TRF). 10 mL of the compound prepared in the present invention, as a test compound, was put in a Greiner 96-well V-shaped bottom plate, and a tyrosin kinase buffer (20 mL) mixed with a c-Met enzyme was added thereto, and then the enzyme and the test compound were stirred for 15 minutes, followed by culturing. An ATP solution (10 mL) was added thereto to proceed with a kinase reaction at room temperature for 30 minutes, and then a 50 mM ethylene diamine acetic acid solution (EDTA, 40 mL) was added to stop the reaction. After that, the reaction mixture was transferred to a plate coated with Streptavidin, followed by culturing under shaking. After 2 hours, the cultured material was washed three times with a PBS-T buffer (PBS 0.05% Tween 20). The europium-labeled anti-phosphotyrosine antibody was diluted to 1:2,500, and 100 mL of the diluent was added per well, followed by culturing under shaking. After 1 hour, the cultured material was washed three times with a PBS-T buffer (PBS 0.05% Tween 20). 100 mL of an enhancement solution was added, followed by shaking culturing for 5 minutes, and then the reaction material was read out within a wavelength range of 615/665 nm using a Wallac Envision 2103 device.
8276	1	Biochemical Assay	For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of a 384-well white GREINER "SMALL VOLUME" PS plate. The assay panel is run at room temperature on a Biomek FX liquid handling workstation. To the assay plates containing 50 nl compound or control solutions in 90% DMSO, 4.5 ul of E3 ligase solution were added per well, followed by 4.5 ul of the pre-incubated E1/E2/Ub mix or the pre-diluted ubiquitin (LOW control). Plates are shaken vigorously after each addition. In this assay the compound concentrations range from 3 nM to 10 uM in an 8-point dose-response curve. After 45 min of incubation the ubiquitinylation reactions were stopped by adding 4.5 ul 2 mM NEM, immediately followed by 4.5 ul of a detection solution including the XL665-labeled antibody and the streptavidin-coupled europium to give a total volume of 18 ul. After an incubation time of 45 min in the dark, the plates are transferred into the Pherastar fluorescence reader to measure the TR-FRET signal.
8277	1	Cell-Free Assay	A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a log dose response curve from a top concentration of 100 &#956;M with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &#956;L assay buffer (100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37° C. 
8277	2	Cell-Free Assay	A synthetic substrate that can be cleaved by BACE2 having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay BACE2 activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-KEISEISYEVEFR-C(Oregon green)-KK-OH. The BACE2 enzyme is available from Enzo Life Sciences (Cat # BML-SE550). Compounds are incubated in a &frac12; log dose response curve from a top concentration of 100 &mu;M with BACE2 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE2 is at a final concentration of 2.5 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &mu;L assay buffer (100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20). Plates are covered and incubated for 3 hours at 37&deg; C. The reaction is stopped with the addition of 30 L of 1.5 &mu;M Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm).
8278	1	Biochemical Assay	The assay was performed using FLT3 cytoplasmic domain product and purified in house as GST fused protein. The FLT3 protein (1 microM) was pre activated with 800 microM ATP for 1 hour at 28&deg; C in order to obtain a linear kinetic. Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 4 mM MgCl2, 1 mM DTT, 10 microM Na3VO4, and 0.2 mg/mL BSA. The FLT3 kinase assay was run with a final pre activated enzyme concentration of 2 nM, in the presence of 254 microM ATP (residual ATP from KIT pre activation step is negligible), 8 nM 33P-&gamma;-ATP and 55 microM of substrate BioDB n*24 (Aminoacidic sequence: GGKKKVSRSGLYRSPSMPENLNRPR- SEQ ID NO: 1).
8278	2	Biochemical Assay	The assay has been performed using KIT cytoplasmic domain product and purified in house as GST fused protein. The KIT protein (4.5 microM) was pre activated with 300 microM ATP for 1 hour at 28*C in order to obtain a linear kinetic. Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 5 mM MgCl2, 1 mM MnCl2, 10 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSA. The KIT kinase assay was run with a final pre activated enzyme concentration of 4 nM, in the presence of 4.4 microM ATP (residual ATP from KIT pre activation step is negligible), 3.9 nM 33P-&gamma;-ATP and 2.5 microM of substrate BioDB n*138 (Aminoacidic sequence: KWEEINGNNYVYIDPTQLPYDHKWEFPRNR- SEQ ID NO: 2).
8280	1	Time-Resolved Fluorescence Assay	The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. The test compound was dissolved in 100% DMSO, diluted with 25 mM HEPES (pH=7.4) to the desired concentration, added into each well with 10 &mu;L of the test compounds and 10 &mu;L solution containing 5 ng EGFR, then cultured for 10 min at room temperature using the recombinase diluted by 100 mM HEPES with a dilution ratio of 1:80, subsequently added with 10 &mu;L solution containing 20 mM HEPES, 2 mM MnCl2, 100 &mu;M Na3VO4, 1 mM DTT buffer, and 20 &mu;L of 0.1 mM ATP and 50 mM MgCl2 and cultured for 1 h. The positive group in each plate was added with ATP-MgCl2 enzyme, the negative control group without adding with ATP-MgCl2 enzyme, the liquid was sucked out completely after cultured for 1 h, and each well was washed with buffer for three times. The wells were added with 75 &mu;L anti-phosphorylated tyrosine antibody containing 400 ng europium labeling and cultured 1 h, washed, then added with enhancing solution. At the excitation wavelength 340 nm and the emission wavelength 615 nm, the fluorescence intensities were detected by using Victor type 2 time-resolved luminoscope, wherein the inhibitory rate of the compound on automatic phosphorylation: the inhibitory rate of autophosphorylation=100%&minus;[(negative control)/(positive control&minus;negative control)].
8281	1	Inhibition Assay	HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a baculovirus expression system in Sf9 cells. An acetylated fluorogenic peptide, RHKKAc, derived from residues 379-382 of p53 was used as substrate. The reaction buffer was made up of 50 mM Tris-HCl pH 8.0, 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, and a final concentration of 1% DMSO. Compounds were delivered in DMSO and delivered to enzyme mixture with preincubation of 5-10 min followed by substrate addition and incubation for 2 h at 30° C. Trichostatin A and developer were added to quench the reaction and generate fluorescence, respectively. Dose-response curves were generated starting at 30 &#956;M compound with three-fold serial dilutions to generate a 10-dose plot.
8282	1	FRET-Based Enzyme-Coupled Assay	A robust FRET-based, enzyme-coupled assay format, Z-Lyte&reg; Kinase Assay Ser/Thr 13 Peptide Kit (Invitrogen, cat. PV3793), was employed in this study to monitor inhibition of ROCK1 (Invitrogen, cat. PV3691) and ROCK2 (Invitrogen, cat. PV3759) enzyme activities. Compounds were tested on three separate days with 8 point dilutions done in duplicate to determine the average IC50 values. The assay conditions were optimized to 15 &mu;l of kinase reaction volume with 5 ng of enzyme in 50 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, and 0.01% Brij-35. The reaction was incubated 1 hr. at room temperature in the presence of 1.5 &mu;M of substrate with 12.5 &mu;M of ATP (ROCK1 assay) or 2 &mu;M of substrate with 50 &mu;M of ATP (ROCK2 assay) in the presence of various concentrations of the compounds. The reaction was then stopped and the ratio of phosphorylated to unphosphorylated peptide substrate was determined by selective cleavage of only the unphosphorylated peptide as described by the manufacturer (Invitrogen, cat. PV3793). This was followed by excitation of coumarin at 400 nm resulting in emission at 445 nm and energy transfer to fluorescein and final emission at 520 nm. The substrate contains both coumarin and fluorescein and only uncleaved phosphorylated substrate will undergo FRET.
8283	1	Activation Assay	The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2, 1 mM NAD, 1 mM DTT, 8.5 U/mL G6PDH, 100 nM glucokinase, and 25 mM KCl. The buffer pH was 7.1. The mixture A was first made containing KCl, MgCl2, DTT and Glucose in HEPES buffer. The mixture B was made containing NAD and ATP. The test compound in DMSO solution, the mixture A, the mixture B and G6PDH were first mixed in a 96-well plate. Glucokinase was then added to initiate the reaction, and the absorbance at 340 nm was monitored every 5 mins. The activity of glucokinase was represented by the initial generation rate of glucose-6-phosphate, which was calculated by drawing the slope values from the absorbance changing curve at 340 nm vs. the time points. Compounds of this invention have an EC50 value as measured using the assay described herein of less than 50 &#956;M. 
8284	1	Binding Assay	On the day at experiment Human Protein Kinase C delta (PKC&#948;, Millipore cat#14-504) was diluted in 20 mM HEPES, 0.03% Triton X-100. Amount of enzyme in each assay was 7.25 ng (final assay volume is 25 &#956;L). All compounds for testing were diluted to 1 mM in 100% DMSO as an intermediary dilution. The compounds were then diluted further to 50 &#956;M, and then serially diluted in 100% DMSO in semi-logarithmic decrements for 12 points. 0.5 &#956;L of each concentration, in duplicate, was pipetted into a dry 96 well assay plate using a TTP Mosquito. Control and blank wells received 0.5 &#956;L of 100% DMSO instead of compound. The assay was built with the addition of 14.5 &#956;L of assay mixture, containing appropriately diluted enzyme and 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.05 mg/mL phosphatidylserine, and 50 &#956;M ERMRPRKRQGSVRRRV. The assay was started with the addition of 10 &#956;L ATP containing &#947;-33P-ATP] (specific activity approx. 500 cpm/pmol), to a final ass
8284	2	Binding Assay	On the day at experiment Human Protein Kinase C betaII (PKCbII, Millipore cat#14-496) was incubated with 20 mM HEPES pH 7.4, 0.03% Triton X-100, 0.1 mM CaCl2, 0.1 mg/mL phosphatidylserine, 0.1 mg/mL histone H1, 10 mM MgAcetate. Amount of enzyme in each assay was 1.8 ng (final assay volume is 25 &mu;L). The compounds were then diluted to 500 &mu;M, and then serially diluted in 100% DMSO in semi-logarithmic decrements for 12 points. 0.5 &mu;L of each concentration, in duplicate, was pipetted into a dry 96 well assay plate using a TIP Mosquito. Control and blank wells received 0.5 &mu;L of 100% DMSO instead of compound. 14.5 &mu;l kinase in assay buffer was added to each well. The assay was started with the addition of 10 &mu;L ATP containing &gamma;-33P-ATP] (specific activity approx. 500 cpm/pmol), to a final assay concentration of 70 &mu;M. The reaction was allowed to proceed at room temperature for 40 minutes before the addition of 5 &mu;L 3% ortho-phosphoric acid. Blank wells were acid blanks, and had 5 &mu;L 3% ortho-phosphoric acid added before the addition of ATP. 10 &mu;L of the stopped reaction products was transferred to a P30 filtermat which was then washed 4 times in 75 mM ortho-phosphoric acid, and once in methanol before drying. The filter was read by liquid scintillation counting using a Wallac Trilux.
8285	2	[35S]GTP&gamma;S Binding Assay	[35S]GTP&gamma;S binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 &mu;g of mouse brain homogenates were incubated for 30 minutes at 30&deg; C. with 0.1 nM [35S]GTP&gamma;S, 10 &mu;M GDP, and either cannabinoid+/&minus;antagonist, 10 &mu;M unlabeled GTP&gamma;S (non-specific binding) or vehicle (total binding), in triplicate, in a volume of 1 mL of buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM NaCl, 20 units/L adenosine deaminase, 0.05% BSA and the appropriate DMSO (0.1%) and/or ethanol (<0.2%) vehicle. Assay buffer containing 100 mM KCl, instead of 100 mM NaCl, was used to increase basal G-protein activity in experiments examining inverse agonism. Reactions were terminated by quick vacuum filtration through Whatman GF/B glass fiber filters, followed by five washes with ice-cold buffer (20 mM HEPES, 0.05% BSA). Filters were immediately placed into 7 mL scintillation vials to which 4 mL of ScintiVerse&trade; BD Cocktail scintillation fluid was added. Bound radioactivity was determined after overnight incubation at room temperature and shaking by liquid scintillation spectrophotometry with an efficiency of 93% (Tri Carb 2100 TR Liquid Scintillation Analyzer, Packard Instrument Company, Meriden, Conn.).
8286	1	LanthaScreen&trade; Assay (5 mM ATP)	a) 400 nl of a 1:2.15 serial dilution of test compound(98 &mu;M top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 &mu;l of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1&times; assay buffer(50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1.0 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 &mu;l of 800 nM fluorescein labeled LRRKtide peptide substrate and 10 mM ATP solution in 1&times; assay buffer to all wells. d) After a 35 minute room temperature incubation, 20 &mu;l of TR-FRET Dilution Buffer(Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision&trade; multi-mode plate reader with LanthaScreen&trade; settings. Results are analysed using Assay Data Analyzer.
8273	1	Biochemical Assay	For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of a 384-well white GREINER "SMALL VOLUME" PS plate. The assay panel is run at room temperature on a Biomek FX liquid handling workstation. To the assay plates containing 50 nl compound or control solutions in 90% DMSO, 4.5 ul of E3 ligase solution were added per well, followed by 4.5 ul of the pre-incubated E1/E2/Ub mix or the pre-diluted ubiquitin (LOW control). Plates are shaken vigorously after each addition. In this assay the compound concentrations range from 3 nM to 10 uM in an 8-point dose-response curve. After 45 min of incubation the ubiquitinylation reactions were stopped by adding 4.5 ul 2 mM NEM, immediately followed by 4.5 ul of a detection solution including the XL665-labeled antibody and the streptavidin-coupled europium to give a total volume of 18 ul. After an incubation time of 45 min in the dark, the plates are transferred into the Pherastar fluorescence reader to measure the TR-FRET signal.
8287	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-2573]. Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10-20 mM Hepes (pH 7.5, for &#945;-CAs) or TRIS (pH 8.3 for &#946;-CAs) as buffers, and 20 mM Na2SO4 (for &#945;-CAs) or 20 mM NaCl&#8722; for &#946;-CAs (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor, at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (10 mM) were prepared in distilled-deionized water and dilutions up to 0.01 nM were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex. The inhibition constants were obtained by nonlinear least-square methods using PRISM 3, whereas the kinetic parameters for the uninhibited enzymes from Lineweaver-Burk plots, as reported earlier.
8288	1	Cannabinoid Receptor Binding Assay	Membranes from HEK-293 cells transfected with the human recombinant CB1 receptor(Bmax=2.5pmol/mg protein) and human recombinant CB2 receptor (B max=4.7 pmol/mgprotein) were incubated with [3H]-CP-55,940 (0.14 nM / Kd = 0.18 nM and 0.084nM / Kd =0.31 nM respectively for CB1 and CB2 receptor) as the high affinity ligand and displaced with 10 &#956;M WIN 55212-2 as the heterologous competitor for non specific binding (Ki values 9.2 nM and 2.1 nM respectively for CB1 and CB2 receptor). All compounds were tested following the procedure described by the manufacturer (Perkin Elmer, Italy). Displacement curves were generated by incubating drugs with [3H]-CP-55,940 for 90 minutes at 30 C. Ki values were calculated by applying the Cheng-Prusoff equation to the IC50 values (obtained by GraghPad) for the displacement of the bound radioligand by increasing concentrations of the testcompound. Data are means±SEM of at least n=3 experiments.
8289	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of 0.2 mM) has been used as an indicator, working at the absorbance maximum of 557 nm, with 20 mM Hepes (pH 7.5) as buffer, and 20 mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for thedetermination of the kinetic parameters and inhibition constants19. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (0.1 mM) were prepared in distilled-deionized water and dilutionsup to 0.01 nM were done thereafter with distilled deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min-72 h at room temperature(15 min) or 4 &deg;C (all other incubation times) prior to assay, in order to allow for the formation of the E-I complex or for the eventual active site mediated hydrolysis of the inhibitor.
8290	1	Esterase Activity Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spectrophotometeraccording to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL 3 mM 4-NPA, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution.
8291	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-2573]. Phenol red (at a concentration of 0.2 mM)has been used as indicator, working at the absorbance maximum of 557 nm with 10-20 mM Hepes (pH 7.5, for &#945;-CAs) or TRIS (pH 8.3 for &#946;-CAs) as buffers, and20 mM Na2SO4 (for &#945;-CAs) or 20 mM NaCl for &#946;-CAs (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor, at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (10 mM) were prepared in distilled deionized water and dilutions up to 0.01 nM were done thereafter with distilled-deionized water. Inhibitor andenzyme solutions were preincubated together for 15 min at room temperature prior to assay in order to allow for the formation of the E-I complex. The inhibition constants were obtained by non-linear least-squares methods using PRISM 3, whereas the kinetic parameters for the uninhibited enzymes from Lineweaver-Burk plots,as reported earlier.
8292	1	Esterase Assay	CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25°Cusing a spectrophotometer (CHEBIOS UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] The enzymatic reaction contained 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL 3 mM 4-NPA, 0.5 mL H2O and 0.1 mL enzyme solution (total volume, 3.0 mL). A reference measurement was obtained by preparing the mixture without the enzyme solution. All measurements were made in triplicate. The Ki values were determined from a series of experiments using three different bromophenols concentrations and 4-NPA as the substrate at five different concentrations to construct Lineweaver-Burk curves [Lineweaver et al., J. Am. Chem. Soc., 57:685-693].
8293	1	Esterase Assay	Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min at 25 C using a spectrophotometer (Shimadzu UV-VIS) according to the method described by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229]. The enzymatic reaction, in a total volume of 3.0 mL, contained 1.4 mL 0.05 M Tris-SO4 buffer (pH 7.4), 1 mL 3 mM NPA, 0.5 mL H2O and 0.1 mL enzyme solution. A reference measurement was obtained by preparing the same cuvette without enzyme solution. All compounds were tested in triplicate at each concentration used.
8294	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany) 2 &mu;l of a solution of the Tie2 fusion protein in assay buffer [50 mM HEPES/HCl pH 7, mM MgCl2, 2.5 mM MnCl2, 1 mM dithiothreitol, 0.01% (v/v) Nonidet P-40, 0.1% (w/v) bovine serum albumin (BSA), 1&times; Complete EDTA-free protease inhibitor mixture (Roche)] were added, and the mixture was incubated for 15 min to allow pre-binding of the substance to the enzyme prior to the kinase reaction. The kinase reaction was then started by adding 3 &mu;l of a solution of adenosine triphosphate (ATP, 1.67 mM&rarr;final concentration in 5 &mu;l assay volume=1 mM) and substrate (1.67 &mu;M&rarr;final concentration in 5 &mu;l assay volume=1 &mu;M) in assay buffer, and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of the Tie2 fusion protein was adapted to the respective activity of the enzyme and adjusted such that the assay was carried out in the linear range. Typical concentrations were in the range of 30 ng/ml. The reaction was stopped by addition of 5 &mu;l of a solution of TR-FRET detection reagents [200 nM streptavidin-XL665 and 2 nM PT66-Eu chelate, a europium chelate-labelled anti-phosphotyrosine antibody (Perkin-Elmer); alternatively, it is also possible to use PT66-Tb cryptate (Cisbio Bioassays, Codolet, France)] in aqueous EDTA solution [90 mM EDTA, 0.28% (w/v) bovine serum albumin (BSA) in 50 mM HEPES pH 7.5]. The resulting mixture was incubated at 22&deg; C. for 1 h to allow formation of the complex of the biotinylated phosphorylated substrate and the detection reagents. The amount of phosphorylated substrate was then determined by measuring the resonance energy transfer from PT66-Eu chelate to streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET measuring instrument (for example Viewlux, Perkin-Elmer).
8294	2	Sandwich ELISA Assay	For measuring the autophosphorylation of the endogenous Tie2 receptor in the cell lysates prepared, a self-prepared anti-Tie2 antibody directed against the N-terminus of the Tie-2 receptor (1.09 mg/ml) and an HRP-coupled anti-phosphotyrosine antibody (Sigma, A4595, clone pY-20) were used. White 96-well ELISA plates (Lumitrac600, Greiner, #655074) were incubated with 100 &mu;l per well of a 1:1000 dilution of the anti-Tie2 antibody in coating buffer [15 mM Na2CO3, 35 mM NaHCO3, pH 9.6] with shaking at 4&deg; C. overnight. The coated ELISA plates were washed three times with 250 &mu;l PBST buffer [0.1% Tween-20 in PBS], the wells were blocked with 250 &mu;l 3% BSA in PBST buffer with shaking at RT for 1-6 h and washed three more times with 250 &mu;l PBST buffer. From the cell lysate plates thawed in the fridge, in each case 100 &mu;l of lysate were transferred into the coated wells of the ELISA plates, and the plates were incubated with shaking at 4&deg; C. overnight. The plates were washed three times with in each case 250 &mu;l of PBST buffer, and 100 &mu;l of a 1:5000 dilution of the anti-phosphotyrosine HRP antibody in 3% Prionex (Calbiochem, #529600) in PBST were then pipetted into each well and the plates were incubated with shaking and protected from light at 4&deg; C. overnight. The plates were washed three times with in each case 250 &mu;l of PBST, and 100 &mu;l of chemiluminescent substrate [BM Chemiluminescence ELISA Substrate (POD) Reagent A and B 1:100, Roche, #1582950] were then pipetted into each well, and after 3 min the plates were measured using a luminescence reader.
8295	1	Scintillation Proximity Assay	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 &mu;l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat # SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 &mu;l of YSi-SPA scintillation beads (GE Healthcare, cat. # RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer Top-Count Scintillation plate reader.
8296	1	Binding Assay	The compounds were examined with membranes of recombinant CHO-ORL 1 cells in a receptor binding assay with 3H-nociceptin/orphanin FQ. This test system was conducted in accordance with the method outlined by Ardati et al. (Mol. Pharmacol., 51, 1997, pp. 816-824). The concentration of 3H-nociceptin/orphanin FQ amounted to 0.5 nM in these tests. The binding assays were conducted in each case on 20 ug of membrane protein per 200ul of preparation in 50 mM of HEPES, pH 7.4, 10 nM of MgCl2 and 1 mM of EDTA. The binding to the ORL 1-receptor was determined using 1 mg of WGA-SPA beads (Amersham-Pharmacia, Freiburg) in each case by incubating the preparation for one hour at RT and then conducting measurements in the Trilux scintillation counter (Wallac, Finland).
8296	2	Binding Assay	The affinity to the human &mu;-opiate receptor was determined in a homogeneous preparation in microtiter plates. For this, dilution series of the respective compound to be tested were incubated for 90 minutes at room temperature with a receptor membrane preparation (15-40 mg of protein per 250 &mu;l of incubation batch) of CHO-K 1 cells, which express the human &mu;-opiate receptor (RB-HOM receptor membrane preparation of NEN, Zaventem, Belgium), in the presence of 1 nmol/l of the radioactive ligand [3H'-naloxone (NET719, NEN, Zaventem, Belgium) and of 1 mg WGA-SPA beads (wheat germ agglutinin SPA beads from Amersham/Pharmacia, Freiburg, Germany) in a total volume of 250 &mu;l. 50 mmol/l of tris-HCl supplemented by 0.05% by wt. of sodium azide and 0.06% by wt. of bovine serum albumin was used as incubation buffer. 25 &mu;mol/l of naloxone were additionally added to determine the non-specific bond. After the ninety-minute incubation time had ended, the microtiter plates were centrifuged for 20 minutes at 1000 g and the radioactivity measured in a &beta;-counter (Microbeta-Trilux, PerkinElmer Wallac, Freiburg, Germany).
8296	3	Binding Assay	The determination occurred in a homogeneous batch in microtiter plates. For this, dilution series of the respective substances to be tested were incubated for 90 minutes at room temperature with a receptor membrane preparation (7 &mu;g of protein per 250 &mu;l of incubation batch) of CHO-K 1 cells, which express the human &kappa;-opiate receptor, in the presence of 1 nmol/l of the radioactive ligand [3H']&minus;Cl-977 and 1 mg WGA-SPA beads (wheat germ agglutinin SPA beads from Amersham/Pharmacia, Freiburg, Germany) in a total volume of 250 &mu;l. 50 mmol/l of tris-HCl supplemented by 0.05% by wt. of sodium azide and 0.06% by wt. of bovine serum albumin was used as incubation buffer. 100 &mu;mol/l of naloxone were additionally added to determine the non-specific bond. After the ninety-minute incubation time had ended, the microtiter plates were centrifuged for 20 minutes at 500 rpm and the radioactivity measured in a &beta;-counter (Microbeta-Trilux 1450, PerkinElmer Wallac, Freiburg, Germany).
8297	1	Kinase Assay	JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 &#956;M GEEPLYWSFPAKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8297	2	Kinase Assay	JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8297	3	Kinase Assay	JAK3 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 &#956;M GGEEEEYFELVKKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8297	4	Kinase Assay	TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8297	5	Kinase Assay	Aurora-A (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 200 &#956;M LRRASLG (Kemptide), 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8297	6	Kinase Assay	FLT3 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 50 &#956;M EAIYAAPFAKKK, 10 mM MgAcetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
8298	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1&times;HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 &mu;l and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &mu;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &mu;l detection solutions (20 &mu;M mAb Alexa700-cAMP 1:1, and 48 &mu;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively.
8299	1	Intracellular Calcium Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 &mu;g/mL G418, 100 U/mL penicillin, 100 &mu;g/mL streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37&deg; C. in 5% CO2. Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH:water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES for use in the assay at a final concentration of 3 nM. Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES. On the day of the assay, 50 &mu;L of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/L, 5 mM probenecid (Sigma) and 3 &mu;M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37&deg; C. in 5% CO2 followed by equilibration at rt for 30 min before measurement. Within the Fluorescent Imaging Plate Reader (FLIPR Tetra, Molecular Devices), antagonists are added to the plate in a volume of 10 &mu;L/well, incubated for 120 min and finally 10 &mu;L/well of agonist is added. Fluorescence is measured for each well at 1 second intervals, and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 3 nM orexin-A with vehicle in place of antagonist.
8300	1	Inhibition FRET Assay	The Calbiochem InnoZyme activity kit was used for measuring the inhibition effect inhibitors on human erythrocyte calpain 1 activity. A calpain FRET substrate, (DABCYL)-TPLKSPPPSPR-(EDANS) (SEQ ID NO: 9), was used to detect the activity of Cal1. 20 &#956;M of the FRET substrate, 10 nM of native Cal1, and 20 &#956;M TCEP (reducing agent) were added to the reaction mixture containing assay buffer (Tris [10 mM], NaCl [100 mM], pH 7.4). Cal1 was activated by the addition of 10 &#956;M calcium. Cleavage of the scissile bond amide bond, K-S, releases the fluorophore (EDANS) from the internal quenching molecule (DABCYL), resulting in an increase in fluorescence measured at 320 nm excitation and 480 nm emission wave lengths for 30 min. Each inhibitor was added to the reaction mixture at varying concentrations (10 nM, 100 nM, 1 &#956;M, and 10 &#956;M) to detect inhibition of Cal1 and reduction in fluorescence was measured by 96 well-plate reader. 
8300	2	Inhibition Kinetics Assay	Full length porcine calpain (156 nM), or papain (236 pM) was added to a solution of 100 mM NaCl, 50 mM HEPES, pH 7.6, 1 mM TCEP, 30 &mu;M Suc-LLVY-AMC (SEQ ID NO: 8) substrate, and inhibitor (0.5 to 50 &mu;M). Calpain reactions also contained CaCl2 (1 mM and 100 mM for porcine and rat respectively). Both substrate and inhibitors were dissolved in acetonitrile/DMSO (1:1) with the exception of E-64, dissolved in water. Organic solvent remained <2% in all reactions, and most often <1%. Reactions were carried out in microtiter 96-well plates, with 150 &mu;L per well, 30&deg; C., and product formation was monitored over time by fluorescence (Ex/Em 346/444 nm, with 420 nm cutoff filter). Kinetic values of kobs were determined via non-linear regression using one-phase association analysis and linear plots of 1/kobs vs. 1/[I] provided kinetic constants ki and KI.
8301	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1&times;HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 &mu;l and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &mu;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &mu;l detection solutions (20 &mu;M mAb Alexa700-cAMP 1:1, and 48 &mu;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 &mu;M to 0.13 nM cAMP.
8302	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM.Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L.Substrate (20 &#956;M): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).Z=Benzyloxycarbonyl.AMC=7-Amino-4-Methyl-Coumarin.DTT=dithiothreitol.Final volume: 100 &#956;L.Excitation 360 nm, Emission 465 nm.Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
8303	1	Fluorescence-Based Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve.
8304	1	Radioligand Binding (mouse TAAR1)	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 &mu;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1'000 rpm for 5 min at 4&mu; C., frozen and stored at &minus;80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14'000 rpm for 20 s. The homogenate was centrifuged at 48'000&times;g for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14'000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &minus;80&deg; C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H]&minus;(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]&minus;(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &mu;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &mu;M) in duplicates. The test compounds (20 &mu;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &mu;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &mu;l of the radioligand 3[H]&minus;(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3&times;Kd in nM and 500 &mu;l of the membranes (resuspended at 60 &mu;g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4&deg; C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &mu;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8304	2	Radioligand Binding (rat TAAR1)	HEK-293 cells stably expressing rat TAAR1 were maintained at 37 ° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56 ° C.), penicillin/streptomycin (1%), and 375 g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1'000 rpm for 5 min at 4 ° C., frozen and stored at 80 ° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14'000 rpm for 20 s. The homogenate was centrifuged at 48'000 g for 30 min at 4 ° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14'000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at 80 ° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 M to 10 M) in duplicates. The test compounds (20 l/well) were transferred into a 96 deep well plate (TreffLab), and 180 l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 l of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3 Kd in nM and 500 l of the membranes (resuspended at 50 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4 ° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8305	1	Assembly Assay	Tubulin assembly assays were conducted to assess tubulin polymerization inhibition. The assays were conducted in a 96-well microplate. Assembly reactions were conducted in a buffer containing 0.1 M PIPES (pH 6.9), 1 mM EGTA, 5 mM Mgcl, 1.2 mg/ml purified Trypanosoma cruzi tublin, at concentrations (0.6-40 &mu;M) of the imido-substituted 1,4-naphthoquinone (IMDNQ 1-IMDNQ 11). Components of the reaction mixtures were added to the microplate and assembly was initiated by the addition of 1 mM GTP. The assembly reactions were assayed photometrically by measuring the absorbance at 405 nm using a microplate reader at 30&deg; C.
8306	1	Biochemical Assay	The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of    a) providing a reaction mixture containing:    b) comparing the polarization signal generated in the absence of the test compound with the one generated in the presence of different concentrations of the test compound, and    c) evaluating the ability of the test compound to displace the compound of formula (IP) as defined above indicated from a decreased fluorescence polarization level.The polarization signal can be measured, e.g., by a plate reader such as the Saphire2 (Tecan). 
8306	2	PAR Assay	Studies were performed as follows: 6000 cells/well were seeded in 96 well plates (Perkin Elmer) in MEM/10% FCS and incubated for 24 hs at 37&deg; C., 5% carbon dioxide. Test compounds were then added at the required concentration for 30'. DNA damage was then induced adding hydrogen peroxide at the concentration of 0.1 mM for 15 min. Concentration curves were prepared in MEM/10% FCS from compound stocks in dimethylsulfoxide (DMSO), and final DMSO concentration was 0.002% (v/v). Duplicate wells for each concentration point were prepared with a typical highest compound concentration of 20 &mu;M and serial dilution 1:3. Plates were dried and fixed adding a cold methanol-acetone (70:30) solution for 15 min at RT; fixing solution was aspired and wells were air dried for 5 min and then dehydrated in PBS. Non-specific binding sites were blocked by incubating wells for 30 min in PBS containing 5% (w/v) FBS 0.05% Tween20. Wells were then incubated for 1 h at RT in PBS containing anti PAR mouse monoclonal antibody (Anti-PAR, Mouse mAb 10H, Tulip Cat No 1020) diluted 1:200 in blocking solution. After 3 washes in PBS, wells were incubated in PBS (w/v) 5% FBS 0.05% Tween20 containing 2 &mu;g/mL Cy2-conjugated Goat anti mouse secondary antibody (Amersham Pharmacia Biotech cat. No PA 42002) (Absorption maximum 489 nm, fluorescence maximum 506 nm) and 1 &mu;g/mL DAPI (Absorption maximum 359 nm, fluorescence maximum 461 nm) (4',6-diamidino-2-phenylindole dilactate) (Sigma cat. No D9564), a high sensitivity dye for nucleic acid staining. After washing further 3 times in PBS, cellular PAR immunoreactivity was assessed using the ArrayScan vTi instrument, with a Zeiss 10&times;0.5 N.A. objective, and applying the Cytotoxicity.V3 algorithm (Cellomics/Thermo Fisher) with a XF100 filter. At least 10 fields, corresponding to at least 900 cells, were read for each well.
8307	1	Inhibition Assay	Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phosphate buffer (pH 6.8), Enzyme: mushroom tyrosinase (T-3824, Sigma), Substrate: L-tyrosine (T-3754, Sigma), Positive control: Kojic acid (KA) (60890, Fluka) (reference inhibitor). Reference Molecules for the Test: Kojic acid: 9 &mu;M<IC50<20 &mu;M (PPO), 3 &muM<IC50<7 &mu;M (MPMO); Vitamin C: 20 &mu;M<IC50<40 &mu;M (PPO); Reduced glutathione: 55% inhibition at 25 &mu;M (PPO), IC50=1-2 &mu;M (MPMO); Hydroquinone: IC50=3-4 &mu;M (MPMO); Arbutin: 57% inhibition at 88 &mu;M (MPMO).
8310	1	ULight-LANCE Assay	Full sequence FAK was purchased from Cell Signaling (Catalog No.: 7796). ULight-poly GT (PerkinElmer #TRF0100-D), Eu-anti-phospho-Tyr (PT66) (PerkinElmer #AD0068) and Lance detection buffer (PerkinElmer #CR-97-100) were purchased from PerkinElmer. The kinase solution (50 mM Tris-HCl pH 7.5, 10 mM MgCl2, 1 mM EGTA, 2 mM DTT, 0.01% Tween-20) was adjusted to a final concentration of 3 nM by adding FAK diluted to 6 nM (2&times;) in white 384 OptiPlate, and added with an amount of 5 &mu;L. 4&times; ULight-poly GT was adjusted to a final concentration of 100 nM. ATP (Sigma #A2383) was adjusted to a final concentration of 10 &mu;M and in 2.5 &mu;L aliquots. The test compound was sequentially diluted at 12 concentrations and treated with an amount of 0.5 &mu;L. After shaking well and allowing to react at room temperature for 60 minutes, 5 &mu;L of ethylenediaminetetraacetic acid (EDTA, final concentration 40 mM) diluted in Lance detection buffer (Lance detection buffer) was added and the mixture was left at room temperature for 5 minutes to stop the reaction. After adding 4&times; Eu-anti-phospho-Tyr (PT66) phosphorylated antibody diluted to a final concentration of 2 nM in detection buffer with an amount of 5 &mu;L, and reaction was performed at room temperature for 60 minutes. After adjusting to detect time-resolved fluorescence energy transfer (TR-FRET) at excitation wavelength 320 nm and emission wavelength 665 nm, signals were detected using EnVision Multilabel Reader.
8311	1	Activation Assay	In the 384-well plates 1.25 &mu;l of test compound in assay buffer was mixed with 1.25 &mu;l of AMPK and 1.25 &mu;l of the peptide (final concentration of 1 &mu;M) and 1.25 &mu;l of ATP (final concentration of 30 &mu;M), both dissolved in assay buffer. This step was followed by an incubation time of 60 min. Then 5 &mu;l of ADP Glo Reagent was added. This was followed by 40 min of incubation. Then 10 &mu;l of Kinase Detection Reagent was admixed. The plates were sealed and after an incubation period of 30 min, the luminescence signal was measured in an Envision reader. All incubation steps were accomplished at room temperature. Assay buffer: 20 mM HEPES pH 7.0, 0.025% BSA, 15 mM MgCl2, 0.01% Brij.
8312	1	Luciferase Assay	Estrogen receptor-negative CV-1 kidney cells are maintained in Dulbecco's modified Eagle's medium with 4.5 g/L glucose supplemented with 10% fetal bovine serum and 100 units/ml penicillin-streptomycin at 37&deg; C. in a humidified 5% CO2 atmosphere. The cells are then plated in 6-well dishes at a density of 2&times;10^5 cells per well in phenol-red free Dulbecco's modified Eagle's medium containing 10% charcoal-dextran-stripped fetal bovine serum. CV-1 cells are transfected using LipofectAMINE reagent according to the manufacturer's protocol. Transfections containing 1.5 &mu;g of reporter plasmid (containing ERE-tk-luciferase containing a single ERE cloned upstream of the thymidine kinase promoter and luciferase gene) and 0.5 &mu;g of either ER&alpha; or ER&beta; expression vector (containing CMV-ER&alpha; or CMV-ER&beta; full length coding sequence respectively). The next day, cells receive no treatment (controls) or are treated with estradiol alone (1 nM) or estradiol plus a compound of the invention (at varying concentrations). After 16-24 hours, cells are harvested and assayed for luciferase activity. At the outset, cell monolayers are washed twice with ice-cold phosphate-buffered saline and incubated for 15 minutes in 250 &mu;l of 1&times; cell culture lysis reagent (Promega, Madison, Wis.). Cell extracts are transferred to a fresh tube and assayed using the luciferase assay system (Promega). For each assay, 10 &mu;l of extract is diluted with 90 &mu;l of 1&times; cell culture lysis reagent. Luminescence is read using an AutoLumat LB953 luminometer.
8313	1	Enzyme Inhibition Assay	The APAO and SMO activities were measured spectrophotometrically by following the formation of a pink adduct (&#949;515 nm = 2.6 × 10^4 M&#8722;1 cm&#8722;1) as the result of theH2O2-dependent oxidation of 4-aminoantipyrine catalyzed by horseradish peroxidase, and the subsequent condensation of oxidized 4-aminoantipyrine with 3,5-dichloro-2-hydroxybenzenesulfonic acid, as described in Bianchi et al. APAO activity was assayed at pH 7.5 (0.1 M Tris-HCl buffer) and 25°C with N1-acetyl-Spm as the substrate in the presence and absence of CHX. SMO activity was assayed at pH 8.3 (0.1 M Tris-HCl buffer) and 25°C using Spm as the substrate in the presence and absence of CHX.
8314	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hydration activity of carbonic anhydrase. I. Stop-flow kinetic studies on the native human isoenzymes B and C. J Biol Chem 1971;246:2561-2573.Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10-20 mM Hepes (pH 7.5, for &alpha;-CAs) or TRIS (pH 8.3 for &beta;-CAs) as buffers, and 20 mM Na2SO4 (for &alpha;-CAs) or 20 mM NaBF4 for &beta;-CAs (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor, at least six traces of the initial 5%-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (10 mM) were prepared in distilled-deionized water and dilutions up to 0.01 nM were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex.
8315	1	GRX Assay	Human GRX-1 (0.25 unit/mL) was incubated at 25 °C with increasing concentrations of 2-AAPA (25, 50, 100, and 200 &#956;M) and BSA (1 mg/mL). Aliquots were withdrawn for determination of GRX activity at 3, 10, and 20 min. Control incubations without 2-AAPA were conducted in parallel. The aliquots were added to the GRX assay solution, and enzyme activity was determined from a coupled reaction with GR based on a literature reported procedure with minor modification. In this assay, a mixed disulfide between GSH and the mercaptoethanol moiety derived from 2-hydroxyethyldisulfide (HED) served as the substrate for GRX; briefly GSH (10 mM) and HED (7 mM) were premixed in water for 5 min before transferring onto ice. The final GRXassay solution contained GSH (1 mM), HED (0.7mM), GR (0.02 units/mL), NADPH (0.2 mM), and bovine serum albumin (BSA, 1 mg/mL) in Trisbuffer (pH 8, 0.1 M). Theactivity was determined by monitoring the disappearance of NADPH spectrophotometrically at &#955; = 340 nm [Holmgren et al., Meth. Enzymol., 252:283-292].
8316	1	Urokinase Amidolytic Assay	Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the enzyme solution included: Tris buffer &#8722; 0.6 mL (pH 8.8), enzyme: urokinase (50 units/mL), synthetic substrate: S-2444 (0.1 mL, 3 mM). The mixture was incubated for 3 min at 37°C. After 20 min of incubation, the reaction was stopped by adding 0.1 ml of 50% acetic acid, and the absorbance of the released p-nitroaniline was measured at 405 nm (Spekol 1300, AnalyticJena).
8316	2	Thrombin Amidolytic Assay	Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the enzyme solution included: Tris buffer &#8722; 0.5 mL (pH 8.4), enzyme: thrombin (1 units/mL), synthetic substrate: S-2238 (0.2 mL, 0.75 mM). The mixture was incubated for 3 min at 37°C. After 20 min of incubation, the reaction was stopped by adding 0.1 ml of 50% acetic acid, and the absorbance of the released p-nitroaniline was measured at 405 nm (Spekol 1300, AnalyticJena).
8316	3	Tyrpsin Amidolytic Assay	Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the enzyme solution included: Borane buffer &#8722; 0.5 mL (pH 7.5), enzyme: trypsin (0.4units/mL), synthetic substrate: Bzl-L-Arg-pNA HCl (0.2 mL, 8 mM). The mixture was incubated for 3 min at 37°C. After 20 min of incubation, the reaction was stopped by adding 0.1 ml of 50% acetic acid, and the absorbance of the released p-nitroaniline was measured at 405 nm (Spekol 1300, AnalyticJena).
8316	4	Plasmin Amidolytic Assay	Buffer and 0.1 mL of enzyme solution was added to 0.2 mL of examined compounddissolved in 0.15 M NaCl (as control 0.15 M NaCl). The buffer and the enzyme solution included: Tris buffer &#8722; 0.5 mL (pH 7.4), enzyme: plasmin (0.4 units/mL), synthetic substrate: S-2251 (0.2 mL, 3 mM). The mixture was incubated for 3 min at 37°C. After 20 min of incubation, the reaction was stopped by adding 0.1 ml of 50% acetic acid, and the absorbance of the released p-nitroaniline was measured at 405 nm (Spekol 1300, AnalyticJena).
8317	1	FAS Inhibitory Assay	To each microtube (final volume: 100 &#956;L), FAS was added (20-30 &#956;g protein) in a buffer containing 100 mM potassium phosphate (pH 7.0), 2.5 mM dithiothreitol and 2.0 mM EDTA with or without test compounds. The mixtures were preincubated at 37°C for 60 min and the reaction was started by the addition of a substrate mixture containing 0.25 mM NADPH, 0.4 nmol of malonyl CoA and 0.02 &#956;Ci of [3H] acetyl CoA. Following incubation at 37°C for 10 min, the reaction was terminated with 60% HClO4. Fatty acids were extracted with 1 mL of hexane and incorporation of radioactivity into the fatty acids was assessed by scintillation counting [Na et al., Bioorg. Med. Chem. Lett., 16:4738-4742].
8318	1	In Vitro AChE and BuChE Inhibition Assays	All the assays were under 0.1 M KH2PO4/K2HPO4 buffer, pH 8.0, using a Shimadzu 2450 Spectrophotometer. Enzyme solutions were prepared to give 2 units/mL in 2 mL aliquots. The assay medium contained phosphate buffer, pH 8.0 (1 mL), 50 &#956;L of 0.01 M DTNB, 10 &#956;L of enzyme and 50 &#956;L of 0.01 M substrate (acetylthiocholine chloride). The substrate was added to the assay medium containing enzyme, buffer and DTNB with inhibitor after 15 min of incubation time. The activity was determined by measuring the increase in absorbance at 412 nm at 1 min intervals at 37°C.
8319	1	APN Inhibition Assay	IC50 values against APN from Porcine Kidney were determined by using L-Leu-p-nitroanilide as a substrate. All the solutions of the inhibitors were prepared in the assay buffer( pH 7.5). All the inhibitors were preincubated with APN for 5 min at room temperature. The assay mixture, which contained the inhibitor solution (concentration dependent on the inhibitor), the enzyme solution (4 mg/mL final concentration), and the assay buffer, was adjusted to 200 &#956;L, and then incubated at 37 &#8451; for 30 min. The hydrolysis of the substrate was monitored by following the change in the absorbance measured at 405 nm with the UV-vis spectrophotometer Pharmacia LKB, Biochrom 4060.
8319	2	MMP-2 Inhibition Assay	Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substance, and inhibitor were dissolved in sodium borate (pH8.5, 50 mmol/L) and incubated for 30 min at 37 °C, and then 0.03 % TNBS was added and incubated for another 20 min, the resulting solution was detected under 450 nm wavelength to gain absorption.
8320	1	AChE Inhibition Assay	Inhibitory activities of synthesized &#945;-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et al., Biochem. Pharmacol., 7:88-95]. The assay solution contained 0.1 M phosphate buffer, pH 8, 0.3 mM 5,5&#39;-dithiobis(2-nitrobenzoic acid) (DTNB), 0.125 units of AChE (Sigma Chemical Co. from electric eel (Electrophorous electricus)), and 0.2 mM acetylthiocholine iodide as the substrate in a total volume of 2.5 mL. In order to provide sufficient time for interaction with either PAS and/or active site of the enzyme, particularly in competition with the substrate, the synthesized compounds were added to the assay solution and preincubated with the enzyme for 10 min at 25°C. In order to solubilize the synthesized compounds, the reaction mixture contained 2% ethanol (50 &#956;L in 2.5 mL reaction mixture volume). Control experiments were run and it was seen that no inhibitory effect was exerted on the enzyme by ethanol. The changes in abs
8321	1	HCV Replicon Assay	The HCV NS5B reaction was performed in a 20 &mu;L mixture containing varying concentrations of the test compound, 1 &mu;M of all four natural ribonucleotides, [&alpha;-32P]UTP, 20 ng/&mu;L of genotype 1b (&minus;) IRES RNA template, 1 unit/&mu;L of SUPERase&middot;In (Ambion, Austin, Tex.), 40 ng/&mu;L of wild type or S282T NS5B Genotype 1b, 1 mM MgCl2, 0.75 mM MnCl2, and 2 mM DTT in 50 mM Hepes buffer (pH 7.5). The reaction was quenched by adding 80 &mu;L of stop solution (12.5 mM EDTA, 2.25 M NaCl, and 225 mM sodium citrate) after incubating at 27&deg; C. for 30 minutes. The radioactive RNA products were separated from unreacted substrates by passing the quenched reaction mixture through a Hybond N+ membrane (GE Healthcare, Piscataway, N.J.) using a dot-blot apparatus. The RNA products were retained on the membrane and the free nucleotides were washed out. The membrane was washed 4 times with a solution containing 0.6 M NaCl and 60 mM sodium citrate. After rinsing the membrane with water followed by ethanol, the membrane was exposed to a phosphorscreen and the products were visualized and quantified using a phosphorimager.
8322	1	TR-FRET Assay	Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature.
8323	1	HIF-PH Assay	Ketoglutaric acid &alpha;-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay may be fragments of HIF&alpha; as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. HIF-pH, e.g., PHD1 (EGLN2) or PHD2 (EGLN1), can be expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity is determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contain 50 mM HEPES (pH 7.4), 100 &mu;M &alpha;-ketoglutaric acid sodium salt, 0.30 mCi/mL ketoglutaric acid &alpha;-[1-14C]-sodium salt, 40 &mu;M FeSO4, 1 mM ascorbate, 1541.8 units/mL Catalase, with or without 50 &mu;M peptide substrate and various concentrations of compound of the invention. Reactions are initiated by addition of HIF-PH enzyme.
8324	1	Inhibition Assay	ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention were prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;em 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. ATX activity was measured as a slope of the linear portion of the progress curve, typically between 14 to 24 minutes.
8325	1	Enzyme Inhibition Assay	The enzyme reaction (total volume 10 &#956;l) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2] (5 &#956;M), ATP(10 &#956;M), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 &#956;M in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 &#956;M MgCl2, 1 &#956;M DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 &#956;l) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences).
8326	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8326	2	In Vitro Assay	Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX ) at a concentration of 0.00008-0.0004 M.
8327	1	Functional Assay	HEK293 cells stably expressing canine TRPM8 were routinely grown as monolayers in Dulbecco's minimum essential medium supplemented with 10% FBS, 2 mM L-glutamine, 100 units/mL penicillin, 100 &mu;g/mL streptomycin and 400 &mu;g/mL G418. Cells were maintained in 5% CO2 at 37&deg; C. At 24 hr prior to assay, cells were seeded in black wall, clear-base poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) at a density of 5,000 cells per well in culture medium and grown overnight in 5% CO2 at 37&deg; C. On assay day, growth media was removed, and cells were loaded with Calcium 3 Dye (Molecular Devices) for 35 min at 37&deg; C., under 5% CO2 and then incubated for 25 min at room temperature and atmosphere. Subsequently, cells were tested for agonist-induced increases in intracellular Ca2+ levels using FLIPR&trade; or FDSS. Cells were treated with compounds of the formula (I) at varying concentrations and intracellular Ca2+ was measured for 5 min prior to the addition of icilin to each well to achieve a final concentration that produces an approximately 80% maximal response.
8328	1	YO-PRO Assay	HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37&deg; C. in a humidified 5% CO2 incubator (split &frac15; every 3-4 days with DMEM, 10% FCS, 1% Penicillin/Streptomycin, 250 &mu;g/ml Geneticin). Adherent cells were detached by incubation with Trypsine (1 ml per 165 cm2 dish) for 2 minutes, then washed off with 10 ml PBS (without Mg2+ and Ca2+), and resuspended in DMEM, 10% FCS, 1% Penicillin/Streptomycin, no Geneticin. 10,000 cells per well (48 hours before the assay) or 25,000 cells per well (Vi-cell XR (Beckman Coulter) (24 hours before the assay) in 50 &mu;l full medium were seeded on 384-well black-wall, clear bottom plates, that were coated before with 10 &mu;l per well Poly-L-Lysine, incubated for 30-60 minutes at 37&deg; C. and washed once with PBS. Medium was removed from cells and 50 &mu;l of assay buffer containing 0.5 &mu;M YO-PRO-1 was added into the wells. Solutions of antagonist compounds were prepared by serial dilutions of a 10 mM DMSO solution of the antagonist into PBS using a BioMek (Beckman Coulter). Each concentration was performed in duplicate. For IC50 measurements 10 concentration points were measured (10 &mu;M being the highest concentration followed by 9 serial dilution steps &frac13;). The cells were incubated with the antagonists of the present invention together with ATP at a final concentration of 250 &mu;M for 90 minutes. During this time period, four time points were taken. Each time point comprised the average of several measurements made within a few seconds. Fluorescence was measured in the FLIPR tetra (Molecular Devices) using the filters appropriate for YO-PRO-1 fluorescence (excitation485/20, emission 530/25).
8329	1	Kinase Assay	FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 &mu;l reaction volume are used. The reaction cocktail was pipetted in 4 steps in the following order: 15 &mu;l of ATP solution (in H2O), 20 &mu;l of assay buffer (see below), 5 &mu;l of test sample in 10% DMSO, 10 &mu;l of enzyme/substrate mixture (in H2O). The assay for all enzymes contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &mu;M Na-orthovanadate, 1.2 mM DTT, 50 &mu;g/ml PEG20000, 1 &mu;M [&gamma;-33P]-ATP (approx. 8&times;10^5 cpm per well), protein kinase (variable amounts; see Table 1), and substrate (variable amounts). Certain assays also contained 1 mM CaCl2, 4 mM EDTA, 5 &mu;g/ml Phosphatidylserine and 1 &mu;g/ml 1.2-Dioleyl-glycerol. The MYLK2, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK4, CAMKK2, DAPK2 and EEF2K assays additionally contained 1 &mu;g/ml Calmodulin and 0.5 mM CaCl2. The PRKG1 and PRKG2 assays additionally contained 1 &mu;M cGMP. Recombinant Protein Kinases: All protein kinases were expressed in Sf9 insect cells or in E. coli as recombinant GST-fusion proteins or His-tagged proteins. All kinases were produced from human cDNAs, except JAK2, for which the mouse cDNA was used. Kinases were purified by affinity chromatography using either GSH-agarose (Sigma) or Ni-NTH-agarose (Qiagen). The purity of the protein kinases was examined by SDS-PAGE/coomassie staining. The identity of the protein kinases was checked by mass spectroscopy. Assays were made under license from Chemicon International Inc. for JAK2. The reaction cocktails were incubated at 30&deg; C. for 80 minutes. The reaction was stopped with 50 &mu;l of 2% (v/v) H3PO4, plates were aspirated and washed two times with 200 &mu;l 0.9% (w/v) NaCl. All assays were performed with a BeckmanCoulter Biomek 2000/SL robotic system. Incorporation of 33Pi (counting of "cpm") was determined with a microplate scintillation counter (Microbeta, Wallac).
8330	1	Luciferase Assay	The Huh-7 cells transfected with HCV replicons system were seeded into 96-well plates (8,000 cells in 125 &mu;L/well) respectively; each test compound was diluted to desired concentration using 5-fold serial dilutions protocol, 10 doses in duplicate, and added to wells with POD&trade; 810 Plate Assembler. The plates were incubated in a CO2 incubator for 72 hours; after that, 40 &mu;L of Luciferase assay substrate (Promega Bright-Glo) was added to each well, and detected by a chemiluminescence detection system (Topcount Microplate Scintillation and Luminescence Counter) 5 minutes later; the EC50 (half-maximal effective concentration, concentration for 50% of maximal effect) values of test compounds were analyzed by GraphPad Prism software, respectively. In this paper, experiments were repeated twice and set the holes without compounds as negative control.
8331	1	Polymerase Inhibition Assay	The ability of the nucleoside triphosphate derivatives to inhibit the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase was measured in a radiolabeled nucleotide incorporation assay modified from the method described in International Publication No. WO2002/057287. Briefly, 50 &#956;L reactions containing 20 mM HEPES (pH 7.3), 7.5 mM DTT, 20 units/mL RNasIN, 1 &#956;M each of ATP, GTP, UTP and CTP, 20 &#956;Ci/mL [33P]-CTP, 10 mM MgCl2, 60 mM NaCl, 100 &#956;g/ml BSA, 0.021 &#956;M DCoH heteropolymer RNA template and 5 nM NS5B (1b-BK&#916;55) enzyme were incubated at room temperature for 1 hour. Assay was terminated by the addition of 500 mM EDTA (50 &#956;L). The reaction mixture was transferred to a Millipore DE81 filter plate and the incorporation of labeled CTP was determined using Packard TopCount. 
8332	1	Kinase Assay	Sphingosine kinase activity was assessed as described previously (Kharel, Y., Lee, S., Snyder, A. H., Sheasley-O&#39;Neill, S. L., Morris, M. A., Setiady, Y., Zhu, R., Zigler, M. A., Burcin, T. L., Ley, K., Tung, K. S. K., Engelhard, V. H., Macdonald, T. L. and Lynch, K. R. Sphingosine kinase 2 is required for modulation of lymphocyte traffic by FTY720. J Biological Chemistry 280: 36865-36872 (2005)). High levels of human sphingosine kinase type 1 (mSK1) and mouse sphingosine kinase type 2 (mSK2) were expressed in Sf9 insect cells by infection with cognate baculoviruses. Crude homogenates were incubated with &#947;-[32P]ATP and 10 micromolar D-erythro-sphingosine in the presence of 100 micromolar concentrations of test compounds for 20 minutes at 37 C. The product, radiolabeled S1P, was isolated by extraction into organic solvents after acidification and displaced by thin layer chromatography.
8333	1	FRET Assay	The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, pp 17508-17514. Inherent potency of compounds was assessed against A156S, A156T, D168A, and D168V mutants of the HCV NS3/4A 1b protease enzyme as follows: 10&times; stocks of NS3/4A protease enzyme from Bioenza (Mountain View, Calif.) and 1.13&times; 5-FAM/QXL&trade;520 FRET peptide substrate from Anaspec (San Jose, Calif.) were prepared in 50 mM HEPES, pH 7.8, 100 mM NaCl, 5 mM DTT and 20% glycerol. 5 &mu;L of each enzyme were pre-incubated in a Corning (#3573) 384-well, black, non-treated microtiter plate (Corning, N.Y.) for 30 min at 25&deg; C. with a 0.5 &mu;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Protease reactions were started with the addition of 45 &mu;L of the FRET substrate and monitored for 120 minutes at &lambda;ex487/&lambda;em514 through Quad monochromoters in a Synergy4 plate reader from BioTek (Winooski, Vt.).
8333	2	FRET Assay	The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C159S, A156S, A156T, D168A, D168V, R155K mutants of the HCV NS3/4A 1b protease enzyme as follows: 10&times; stocks of NS3/4A protease enzyme from Bioenza (Mountain View, Calif.) and 1.13&times; 5-FAM/QXL&trade;520 FRET peptide substrate from Anaspec (San Jose, Calif.) were prepared in 50 mM Tris-HCl, pH 7.5, 5 mM DTT, 2% CHAPS and 20% glycerol. 5 &mu;L of each enzyme were added to Corning (#3575) 384-well, black, microtiter plates (Corning, N.Y.) after spotting a 0.5 &mu;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Protease reactions were immediately started after enzyme addition with the addition of 45 &mu;L of the FRET substrate and monitored for 60-90 minutes at &lambda;ex485/&lambda;em520 in a Synergy4 plate reader from BioTek (Winooski, Vt.).
8334	1	Enzymatic Assay	r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1% Nonidet P-40, 3 mM DTT for 30 min at 37° C. Samples were incubated with 100 &#956;M N-lauroyl ceramide (Nu-Chek Prep, Elysian, Minn.) at 37° for 30 min. The reaction was stopped by addition of a mixture of chloroform/methanol (2:1 vol/vol) containing 1 nmol of heptadecanoic acid (HDA; NuChek Prep). The organic phases were collected, dried under nitrogen, and analyzed by LC/MS in the negative-ion mode using heptadecanoic acid (HDA) as internal standard (m/z=199 for lauric acid, m/z=269 for HDA). HDA was eluted on an XDB Eclipse C18 column isocratically at 2.2 mL/min for 1 min with a solvent mixture of 95% methanol and 5% water, both containing 0.25% acetic acid, and 5 mM ammonium acetate. The column temperature was 50° C. 
8334	2	Acid Ceramidase Activity Assay	A hAC protein preparation (10 &#956;g) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% Nonidet P-40, 150 mM NaCl, 3 mM DTT, 100 mM sodium citrate, pH 4.5) for 30 min at 37° C. Reactions were started by the addition of 50 &#956;M N-lauroyl ceramide (Nu-Chek Prep, Elysian, Minn.) and carried on for 30 min at 37° C. Reactions were stopped by addition of a mixture of chloroform/methanol (2:1, vol/vol) containing 1 nmol 11-lauroleic acid (NuChek Prep). The organic phases were collected, dried under nitrogen and analyzed by UPLC/MS (Acquity, Waters) in the negative-ion mode monitoring the reaction product (lauric acid, m/z=199) using 11-lauroleic acid as internal standard.Lipids were eluted on an Acquity UPLC BEH C18 column (50 mm length, 2.1 mm i.d., 1.7 &#956;m pore size, Waters) column at 0.5 mL-min&#8722;1 for 1.5 min with a gradient of acetonitrile (CH3CN) and water, both containing 0.25% acetic acid and 5 mM ammonium acetat
8335	1	Cellular Uptake Assay 	URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was used as the test transport agent, which was measured in a liquid scintillation counter, using benzbromarone as a positive control, and DMSO and non-transfected CHO cells as negative controls (Solvo Biotechnology, Boston, Mass.). Over 7 concentrations (range, 0.01 to 150 &#956;M), a semi-log plot (percent relative transport of oratate vs. time) was generated to determine the concentration at which 50% inhibition was observed (i.e., the IC50).
8335	2	Inhibtion Assay 	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
8336	1	Tyrosinase Inhibition Assay	Briefly, mushroom tyrosinase (1250 units/mL) and 2 mM L-tyrosine (0.07 mL) were added to a solution of phosphate buffer (0.1 M, pH 6.8, 0.09 mL) containing the test sample. The test mixture (0.2 mL) was incubated for 10 min at 37°C and the absorption due to the formation of dopachrome was monitored at 475 nm. The same mixture except for the plant extract was used as a control. Arbutin (hydroquinone-O-&#946;-glucopyranoside) was used as a positive control. Each treatment was replicated three times.
8337	1	Kinetic Assay	To characterize the type and extent inhibition of papain by fukugetin, papain (0.04 nM) was incubated with four concentrations of fukugetin (1.5, 3, 6 and 12&#956;M). For cruzain, enzyme concentration was 12 nM and inhibitor concentrations varied from 1 &#956;M to 10 &#956;M. Analysis of enzyme kinetic data was carried out using the Lineweaver-Burk plot30 in Grafit 5.0 software. Hydrolytic activity was measured immediately 3 h after, mixing fukugetin and enzymes by addition growingconcentrations of Cbz-Phe-Arg-MCA (0.5-22 &#956;M).
8338	1	cd-MMP-1 Activity Assay	The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final volume of 100 &#956;L. The reaction buffer contained 7.6 nM cd-MMP-1 in assay buffer (50 mM Tris-HCl, 0.15 M NaCl, 10 mM CaCl2, 10 &#956;M ZnCl2, pH 7.5). The reaction was initiated by the addition of 50 &#956;l of quenched fluorogenic peptide substrate: Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 (final concentration 5 &#956;M). The cd-MMP-1 activity was determined in an Synergy&trade; 2 Multi-Mode Microplate Reader(BioTek) at an excitation wavelength of 360 nm and an emission wavelength of 460 nm.
8339	1	SOD Assay (Fluorimetric Analysis)	SOD activity of the purified samples was determined by the SOD assay kit using (2-(4-iodophenyl)-3-(4nitrophenyl)-5-(2,4-disulphenyl)-2H-tetrazolium, monosodium salt) [WST] which is a colorimetric assay that monitors the rate of inhibition of WST to a water soluble formazan dye. Purified SOD from bovine brain (20 &#956;l) was incubated (37&deg;C, 20 min) with WST working solution (200 &#956;l) and distilled water (20 &#956;l) according to the Sigma Information Bulletin, 19160 after which SOD activity was determined from the absorbance at 450 nm. Spectrofluorimetry was used to analyse the interaction of amyloid peptides [A&#946;25-37, A&#946;29-33 and A&#946;1-40] with SOD. The excitation wavelength was fixed at 295 nm, the wavelength at which tryptophan absorbs, and the emission wavelength was at 482 nm. The change in fluorescence of the solution was monitored as increasing concentrations of amyloid peptides (0-40 &#956;M) were added to a reaction mixture of SOD (5.0 &#956;l) in Tris-HCl buffer (pH 8.0, 50 mM) in a final volume of 300 &#956;l.
8339	2	SOD Assay (Kinetic Analysis)	Purified SOD from bovine brain (20 &#956;l) was incubated (37°C, 60 min) with A&#946;25-37, A&#946;29-33 or A&#946;1-40 (20 &#956;l, 5 &#956;M) followed by incubation (37°, 20 min) with WST working solution (200 &#956;l) according to the Sigma Information Bulletin, 19160 after which SOD activity was determined from the absorbance at 450 nm.
8340	1	RSK2 Inhibition Assay	The inhibition assays against RSK2 in vitro were determined by ADP Quest&reg; (DiscoveRx) in 96-well flat-bottom plates according to the manufacturer's instructions [Lu et al., J. Med. Chem., 54:3564-3574]. The kinase (20 ng millipore) in 40 &#956;L assay buffer (15 mM HEPES, pH 7.4, 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, and 0.1 mg/mL BGG) containing 25 &#956;M S6 peptide (AKRRRLSSLRA, Anaspec) was incubated for 20 min at room temperature with indicated concentrations of the compounds to be tested. Reactions were initiated by adding 10 &#956;L of ATP to a final ATP concentration of 10 &#956;M and terminated after 60 min at room temperature by adding 20 &#956;L ADP Reagent A and 40 &#956;L ADP Reagent B. Ro31-8220 was used as a positive control. Compounds dilutions were prepared from stock in DMSO and diluted with assay buffer for inhibition assay. The fluorescence signal detecting the amount of ADP produced as a result of enzyme activity was recorded on the Synergy&trade; 2 Multi-Mode Microplate Reader (BioTek) at an excitation wavelength of 530 nm and an emission wavelength of 590 nm at 30 min after the addition of the ADP Reagent B.
8341	1	In Vitro APN Inhibition Assay	IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from PorcineKidney microsomes (Sigma) in 50 mM PBS (pH 7.2) or suspension of A549, ES-2, HL-60 in PBS (2 × 10^5/well) as the enzyme. The hydrolysis of the substrate was monitored by following the change in the absorbance measured at 405 nm with a plate reader (Varioskan, Thermo, USA). All the solutions of the inhibitors wereprepared in the assay buffer, and the pH was adjusted to 7.5 by the addition of 0.1 M HCl or 0.1 M NaOH. All the inhibitors were preincubated with APN at 37°C. The assay mixture, which contained the inhibitor solution (concentration dependent on the inhibitor), the enzyme solution (4 mg/mL final concentration) or the cells suspension, and the assay buffer, was adjusted to 200 &#956;L.
8342	1	PON Activity Assay	PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. Experiments of all compounds were tested in triplicate at each concentration used and Activity%-[Drug] graphs were drawn for each drug. Determination of Ki values was performed by using three different inhibitor concentrations. In these experiments, paraoxone was used as substrate at five different concentrations (0.15, 0.3, 0.45, 0.6, and 0.75 mM).
8343	1	Glutathione Reductase Activity Assay	Enzymatic activity was measured by Beutler&#39;s method with a Shimadzu Spectrophotometer UV-(1208), at 25°C. The assay system contained 100 mM Tris-HCl buffer pH 8.0, including 0.5 mM EDTA, 3.3 mM GSSG and 0.1 mM NADPH. One enzyme unit is defined as the oxidation of 1 &#956;mol NADPH per min under the assay condition at 25°C.
8343	2	Glutathione S-transferase Activity Assay	Enzymatic activity was determined spectrophotometrically by measuring the conjugation of CDNB with GSH. The 1 ml assay mixture contained 0.5 mM CDNB, 1 mMGSH, and 100 mM potassium phosphate buffer, pH 6.5. The rate of increase in absorbance at 340 nm was measured for 5 mm at 37°C against a blank containing thereaction mixture without enzyme.
8343	3	Glutathione Peroxidase Activity Assay	Glutathione peroxidase was assayed in a l-ml system containing 0.1 M potassium phosphate buffer, pH 7.0, 0.2 mM NADPH, 1 i.u. glutathione reductase, 4 mM GSH,4 mM EDTA, 4 mM sodium azide. The reaction mixture was incubated at 37°C for 10 min after which 10 &#956;l of 10 mM t-butyl hydroperoxide were added to start the reaction. No t-butyl hydroperoxide was added to the blank cuvette. The rate of reaction was measured at 37°C by following the decrease in the absorbance at 340 nm using a spectrophotometer.
8344	1	AChE and BuChE Activity Assay	Seven different concentrations of the synthesized compounds in the range 10^&minus;3-10^&minus;9 M were measured at 412 nm. All the assays were under 0.1 M KH2PO4/K2HPO4 buffer (pH = 8) using a Varian Cary 50 Spectrophotometer. Enzyme solutions were prepared to give 2 units/mL in 2 mL aliquots. The assay medium contained phosphate buffer, pH 8.0 (1 mL), 50 &mu;L of 0.01 M DTNB, 10 &mu;L of enzyme, 50 &mu;L of acetylthiocholine iodide (ATCh) and 50 &mu;L of the test compound solution. ATCh was added to the assay medium after 10 min of incubation time. The activity was determined by measuring the increase in absorbance at 412 nm for 1 min interval at 37 &plusmn; 0.2&deg;C. For determining the blank value, additionally 50 &mu;L buffer replaced the enzyme solution. In vitro the BuChE assay uses the similarmethod to that described above.
8345	1	Elastase Activity Assay	The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release of p-nitroaniline at 410 nm [James et al., Biochemistry, 35:9090-9096].
8346	1	Fluorescent Imaging Plate Reader (FLIPR) Assay	Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280 mM), glucose (5 mM), CaCl2 (0.5 mM), and probenecid (0.1425 g in 3 mL 1N NaOH was added for 500 mL solution)] in 384-well plates. 93-rat P2X7 stable cells were incubated in HHPB (pH 7.4) [consisting of Hank's BSS (1X); HEPES (pH 7.4) (20 mM) (Sigma); probenecid (0.710 g/5 mL 1N NaOH) (Sigma); and BSA (0.05%) (Roche) which was added after the pH had been adjusted] in 384-well plates. Fluo-4 NW dye mix (Molecular Probes, Inc., Eugene, Oreg., USA) was prepared in buffer (see manufacturer's instructions). Cell plates were removed from the 37&deg; C. incubator, the media discarded and then 30 &mu;L of dye was added to each well. Plates were placed in the 37&deg; C., non-CO2 incubator for 30 minutes and then room temperature for 30 minutes. Two sets of drug plates were prepared: A) Mixtures of compound plus agonist were prepared as follows, in order to determine close response: BzATP: 11 point &frac12; log, diluted in buffer, starting from 1 mM. Testing compounds: 11 point &frac12; log, diluted in 2% DMSO buffer starting from 10 &mu;M. B) Agonist only mixture was prepared with BzATP at a single concentration in buffer (concentration determined by dose response). Compound mixtures (A) were added to assay plates containing cells and placed at room temperature for 30 minutes, then BzATP (B) was added. Fluorescence was read using the Tetra FLIPR&reg; (Molecular Devices, Inc., Sunnyvale, Calif., USA) and IC50 values were calculated by standard methods to determine antagonist activity.
8347	1	HTRF FRET Assay	Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 &mu;l are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
8347	2	HTRF FRET Assay	Inhibitor compounds, prepared at 3&times; the desired final concentration in 1&times;BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1&times;BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &mu;M for 4 &mu;M for autoBACE-2) prepared in 1&times;BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &mu;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies).
8347	3	Inhibition Assay	Inhibition assay using Cathepsin D.
8348	1	Kinase-Glo Assay	These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1&times; kinase buffer, 10 uM ATP, 100 uM Pim-1-specific substrate, 50 ng of active Pim-1 enzyme, and water in serial dilutions ranging from micromolar to nanomolar concentrations. This solution is incubated at 30 degrees Celsius at 360 rpm for two hours. Following the incubation, 50 ul of Kinase-Glo reagent is added to each well, including all positive and negative control wells, and incubated at room temperature for 15 minutes. The plate is then read by the Luminoskan Ascent instrument and the results displayed with the Ascent Software version 2.6.
8348	2	Fast Patch Assay	Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).
8349	1	Binding Assay	The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonist [3H]CP55940 (168 Ci/mmol; PerkinElmer) from the human CB1 (hCB1) or human CB2 (hCB2) receptors on membranes derived from stably transfected HEK-293 cells (PerkinElmer). Membranes were diluted in assay buffer (50 mM Tris-HCl, 1 mM EDTA, 1 mM MgCl2, 1 mg/ml BSA, pH=7.4). The amount of membrane was determined for each batch of membranes according to protein binding assay. The minimum amount of membrane that gave 50% specific binding was used for the binding assay. In most assays, binding was tested using 8 &mu;g and 4 &mu;g protein of hCB1 and hCB2 membranes, respectively. The tested compounds were dissolved in DMSO and diluted in assay buffer to a final concentration of 0.1% solvent. Total binding of [3H]CP55940 was evaluated with 1.5 nM to hCB1 and with 0.5 nM to hCB2, according to Kd affinity of [3H]CP55940 for the respective membranes. The ability of the tested compounds to displace [3H]CP55940 was evaluated first at a single concentration point of 100 nM for binding toward hCB2 or hCB1. In certain cases, the displacement was tested at compound concentrations ranging from 0.03 nM to 10 &mu;M. Non-specific binding was measured by the addition of 1 &mu;M of unlabelled CP55940 to the tubes. Binding assays were performed in triplicate in a total volume of 500 &mu;l for 60 minutes at 30&deg; C., in a shaking bath. Free and bound radioligands were separated by rapid filtration through GF/C filter plates (PerkinElmer) that had been presoaked with 0.1% Polyethylenimine (Sigma). Filters were shaken for 1 hour in 7 ml scintillation fluid (PerkinElmer) and radioactivity was determined by liquid scintillation counter (Wallac; PerkinElmer).
8350	1	Fluorescence Polarization Assay	The enzyme and the substrate were each diluted with a 50 mM tris-hydrochloric acid buffer (pH 7.5) containing 12.5 mM KCl, 3.75 mM MgCl2, 25 &#956;M iron sulfate, 5 mM ascorbic acid, and 2.5 mM DTT, whereas each test compound was diluted with dimethyl sulfoxide (DMSO).A test compound and the substrate solution were preliminarily added onto 384-well plates and reaction was initiated by adding a human PHD2 enzyme solution (40 ng/well). After 20-min incubation at 30° C., an EDTA-containing quench solution was added and the amount of the proline residues hydroxylated via binding to an added HIF-OH antibody solution was quantified by fluorescence polarization.
8353	1	AlphaScreen Assay	Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 &#956;M start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15nM GST-BRD4-BD1 protein (aa 44-168) or 150nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (Lys5, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 &#956;l of the mix is added to the compound dilutions. Subsequently, 6 &#956;l of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.
8355	1	Functional Assay	Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
8355	2	Competitive Binding Assay	The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 Binding Competition Assay with Human NK-3 ReceptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). 
8355	3	Binding Assay	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). 
8355	4	Binding Assay	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &mu;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &mu;l of membrane suspension (approximately 3.75 &mu;g of protein/well in a 96 well plate), 50 &mu;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25&deg; C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard).
8355	5	Inhibition Assay	The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG). Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 &mu;M; 3 &mu;M; 10 &mu;M; 30 &mu;M) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models. The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from &minus;80 mV to a maximum value of +40 mV, starting with &minus;40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to &minus;55 mV, after each of these incremented steps, for 1 second and finally repolarized to &minus;80 mV for 1 second.
8356	1	Inhibition Assay	Compounds were tested for their ability to inhibit recombinant soluble epoxide hydrolase (sEH) protein. The assay utilizes (3-Phhenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester (PHOME), a sensitive substrate for sEH that can be used to monitor the activity of both human and murine enzymes. Hydrolysis of the substrate epoxide yields a highly fluorescent product, 6-methoxy-2-Naphthaldehyde, which can be monitored at excitation and emission wavelengths of 330 and 465 nm, respectively. See Wolf et al., Anal Biochem 355:71-80, 2006 PMID: 16729954. Human recombinant sEH was incubated with substrate and compounds ranging in concentration from 0.1 to 1000 nM.
8357	1	TR-FRET Assay	The peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6&times; Histidine-tagged BIR2 domain and BIR3 domain of XIAP against a set of 29 peptides synthesized based on sequences reported by Sweeny et al. (Biochemistry, 2006, 45, 14740 14748). The peptides were labeled with the fluorescent tags FITC or TAMRA and Kd values were determined by fluorescence polarization assay. The sequence AVPIAQKSEK was identified as optimal for using in an assay. The peptide sequence was derivatized with biotin to provide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA as the substrate for the TR-FRET assay. Ten nanomolar of 6&times; Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-C1, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 mM incubation at 37&deg; C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
8358	1	TR-FRET Assay	The peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA ("Peptide A") was identified as a substrate for the TR-FRET assay by screening the 6&times; Histidine-tagged BIR2 domain and BIR3 domain of XIAP against a set of 29 peptides synthesized based on sequences reported by Sweeny et al. (Biochemistry, 2006, 45, 14740 14748). The peptides were labeled with the fluorescent tags FITC or TAMRA and Kd values were determined by fluorescence polarization assay. The sequence AVPIAQKSEK was identified as optimal for using in an assay. The peptide sequence was derivatized with biotin to provide AVPIAQKSEK-( µ-biotin)-OH 1:2 TFA as the substrate for the TR-FRET assay. Ten nanomolar of 6&times; Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&epsilon;-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37&deg; C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
8359	1	Transactivation Assay	The Notch-CBF1 (C-promoter binding factor I) cell based transactivation assay is based on the ability of the released Notch intracellular domain fragments (NICDs) to function as transcription factors in conjunction with CBF1 and other nuclear factors. Luciferase assays were used to measure the antagonism of Notch-CBF1 transcriptional activity. HeLa cervical cancer cells are transiently co-transfected with pCDNA3.1/Hygro plasmids containing truncated Notch 1, Notch 2, Notch 3, or Notch 4 receptors and a PGL3 luciferase reporter vector containing 4 copies of CBF1 binding site. The cells were then tested for Notch-CBF1 activity in the absence or presence of test compounds. HeLa cells, maintained in DMEM (high glucose with HEPES), 1× glutamine/penicillin/streptomycin and 10% Fetal Bovine serum, were transiently transfected in a T175 Flask (4.5×106 cells/flask) using the Monster Transfection Kit (Minis #MIR2906) according to manufacturers specifications. 
8360	1	Fluorogenic Inhibition Assay	Boc-Lys(Ac)-7-amino-4-methylcoumarin (Boc-Lys(Ac)-AMC) was used as substrate for the HDAC assays. Substrate solution was prepared as follow: Boc(Lys-Ac)-AMC was dissolved in DMSO and diluted with HDAC buffer (15 mM Tris-HCl [pH 8.1], 250 M EDTA, 250 mM NaCl, 10% glycerol) to give 1 mM solutions containing 1.7% DMSO. Trypsin was used to stop the reaction, releasing free AMC. The trypsin solution was prepared as follow: trypsin was dissolved in HDAC buffer to give a concentration of 10 mg/mL. Release of AMC was monitored by measuring the fluorescence at 460 nm (lex=390 nm) with a microplate reader (SpectraMax Gemini) at 37&deg; C. The AMC signals were recorded against a blank with buffer, substrate and trypsin but without the enzyme. All experiments were carried out at least in triplicate. For HDAC inhibition assays, inhibitor diluted in 50 &mu;L of HDAC buffer was mixed with 10 &mu;L of diluted enzyme solution in HDAC buffer at room temperature. The HDAC reaction was started by adding 40 &mu;L of substrate solution in HDAC buffer followed by 30 min of incubation with stirring at 37&deg; C. The reaction was stopped by adding 100 &mu;L, of trypsin solution. After a 10 min incubation with stirring at 37&deg; C., the release of AMC was monitored by measuring the fluorescence.
8351	1	HTRF FRET Assay	Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &mu;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
8351	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor compounds, prepared at 3&times; the desired final concentration in 1&times; BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1&times; BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &mu;M for 4 &mu;M for autoBACE-2) prepared in 1&times; BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &mu;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values.
8352	1	HTRF FRET Assay	Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &mu;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
8352	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor compounds, prepared at 3&times; the desired final concentration in 1&times;BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1&times;BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &mu;M for 4 &mu;M for autoBACE-2) prepared in 1&times;BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &mu;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies).
8362	1	In Vitor Src Tyrosine Kinase Activity Assay	Kinase activity (Src-family kinases, Hck, Lyn, Fyn, and c-Src) and the effect of the molecules were determined by ProFluor Src-Family Kinase Assay Kit (Promega). A titration assay was performed for each kinase to determine the amount of the enzyme that results in approximately 80% phosphorylation as suggested by the manufacturer. The compounds were dissolved in 10% DMSO and tested at 1, 10 and 100 &#956;M concentrations. Briefly, the molecules were mixed with a reaction buffer that included a specific substrate for Src-family kinases (R110), a control substrate and the kinase. The reaction was initiated by the addition of ATP. After incubating the 96-well reaction plate at 22°C for 1 h, protease solution was added to each well and the plate was incubated for 1 h. The fluorescence of the liberated R110 was read at an excitation wavelength of 485 nm and emission wavelength of 530 nm.
8363	1	PTP1B Activity Assay	PTP1B was diluted before the experiment to 1.2 &#956;g/mL in Tris buffer, pH7.6 (10 mM Tris, 1.0 mM EDTA, 3.0 mM DTT, 0.01% w/v NaN3). The tested compounds were dissolved in DMSO. The enzyme reaction buffer was Tris buffer, pH 7.5 (50 mM Tris, 0.15 M NaCl, 3 mM DTT). A typical 10 &#956;L of tested compounds was added to the enzyme solution (50 &#956;L), and the resulting mixture was preincubated at 37°C for 30 min. The enzyme reaction was initiated by the addition of 8 mM p-NPP (40 &#956;L). The concentration of p-nitrophenol from the reaction mixtures was recorded at 405 nm, 15-min intervals for 120 min. SOV was used as a positive control in this study.
8364	1	Enzyme Activity Assay	The enzyme assay was based on the estimation of p-nitrophenol at 412 nm. Paraoxonase activity was determined spectrophotometrically using the same procedure in our previous studies [Ekinci et al., Eur. J. Pharmacol., 617:84-89]. One enzyme unit was defined as the amount of enzyme that catalyzes the hydrolysis of 1 &#956;mol of substrate at 25°C.
8365	1	Enzymatic Assay	Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30°C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP generates the product pNP, which was monitored at an absorbance of 405 nm using an EnVision multilabel plate reader (PerkinElmer Life Sciences, Boston, MA, USA). Assays were performed in a total volume of 100 &#956;L containing 50 mmol/L 3-[N-morpholino]propane-sulfonic acid (MOPs), pH = 6.5, 2 mmol/L pNPP, and 30 nmol/L recombinant PTP1B, as well as the indicated concentrations of the inhibitor.
8366	1	&#945;-glucosidase Inhibitory Activity Assay	&#945;-glucosidase (25 &#956;L, 0.2 U/mL), 25 &#956;L of various concentrations of samples, and 175 &#956;L of 50 mM sodium phosphate buffer (pH 7.0) were mixed at room temperaturefor 10 min. The reaction was started by the addition of 25 &#956;L of 2.5 mM p-nitrophenyl-&#945;-d-glucopyranoside. The activities of glucosidase were detected in 96-well plate, and the absorbance was determined at 405 nm (for p-nitrophenol) in a microplate reader (Corona Electric Co., Ltd). Control sample contained 25 &#956;L DMSO in place of test samples.
8367	1	Inhibition Assay	In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the methods reported previously. [Saijyo et al., J. Oleo. Sci., 57:431-435] To obtain IC50 value of the inhibitors, a reaction mixture of yeast &#945;-Gls (0.025 U/mL), 0.1 mM pNPG and increasing concentration of each inhibitor was used. Also the inhibition mode was determined for those inhibitors exhibited promising inhibitory activity (C1-C3) by incubating the yeast enzyme solution with the increasing concentration of pNPG (0.1-2 mM), in the presence of different concentration of each inhibitor. Moreover, to explore role of the synthetic compounds on inhibition of mammalian enzyme, mouse &#945;-Gls was extracted and prepared in 100 mM potassium phosphate buffer (pH 7.0), containing 5 mM EDTA. [Zhang et al., Food Chem., 126:466-471] After centrifugation, the supernatant was dialyzed against 10 mM potassium phosphate buffer (pH 7.0) containing 0.
8368	1	5&#945;-R1 Activity Assay	The activity of the 5&#945;-R type 1 isozyme was determined by following the conversion of T to DHT at pH 7.5. 2 nM of [1,2,6,7 3H] T, and different concentrations of unlabeled T (5 × 10^-7-6.3 × 10^-6 M) or DHT (5 × 10^-7-2.7 × 10^-5M) and 2 mM NADPH11 was prepared. The reaction in duplicate was started when 5&#945;-R type 1 isozyme fraction (60 &#956;g protein in a volume of 7.5 &#956;L) was added to the mixtureand incubated at 37°C for 60 min.
8368	2	5&#945;-R2 Activity Assay	The activity of the isozyme 5&#945;-R type 2 was assayed as previously described [Hirosumi et al., J. Steroid Biochem. Mol. Biol., 52:357-363; Bratoeff et al., J. Steroid Biochem. Mol. Biol., 107:48-56].
13104	1	Mobility Shift Assay	All examples described herein possessed activity in a commercial assay from SelectScreen Kinase Profiling Services in ThermoFisher Scientific company as listed unless otherwise noted. 
13105	1	PI3K-gamma Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3Kγ assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 μM PIP2, 2 μM ATP, 0.5 μCi [γ-33P] ATP, 13 nM PI3Kγ. Reactions were incubated for 120 min and terminated by the addition of 40 μL SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
13105	2	PI3K-delta Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3Kδ assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 μM PIP2, 2 μM ATP, 0.5 μCi [γ-33P] ATP, 3.4 nM PI3Kδ. Reactions were incubated for 120 min and terminated by the addition of 40 μL SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
13106	1	Inhibition of Kinase Assay	Reagents and MaterialsRet wt (Carna, Cat. No. 08-159-10 ug), RET (V804M), Active (Signalchem, Cat. No. R02-12GG), HTRF KinEASE-TK kit (Cisbio, Cat. No. 62TK0PEC), CEP-32496 (MCE, Cat. No. HY-15200), ATP (Sigma, Cat. No. A7699), DMSO (Sigma, Cat. No. D8418-1L), DTT (Sigma, Cat. No. D0632), MgCl2 (Sigma, Cat. No. M1028), 384-well plate (Labcyte, Cat. No. P-05525-BC).Specific Assay Procedure:Formulation of compound: The test compounds were dissolved in DMSO to obtain 10 mM stock solutions, which were then serially diluted 3-fold in DMSO to obtain 10 concentrations. At the time of addition, the compound was further diluted 10-fold with buffer.Ret Wt and RET V804M Kinase Detection:In 5× kinase buffer A, Ret wt or RET V804M kinase was mixed with different concentrations of compounds prepared by pre-dilution for 10 minutes. Each concentration was tested in duplicate. The corresponding substrate and ATP were added, and reaction was performed at room temperature for 20 minutes (negative and positive controls were provided: the negative control was a blank control, and the positive control was CEP-32496). After completion of the reaction, detection reagents (reagents in the HTRF KinEASE-TK kit) were added. After incubating for 30 minutes at room temperature, enzyme activity in the presence of various concentrations of the compounds of the present disclosure was determined by Envision microplate reader, and inhibitory activity of different concentrations of the compounds on enzyme activity was calculated. The inhibitory activity of different concentrations of the compounds on enzyme activity was fitted by Graphpad 5.0 software,and the IC50 value was calculated.
13107	1	Binding Assay for γ2-Containing GABAA Subtypes	Table 1 and 3: Radioligand binding assays were carried out in a volume of 200 μL (96-well plates) which contained 100 μL of cell membranes, [3H]Flumazenil at a concentration of 1 nM and the test compound in the range of [0.1·10−3-10]×10−6 M. Nonspecific binding was defined by 10−5 M Diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
8370	1	Stable Replicon Assay	The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an Internal Ribosome Entry Site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter portion (FfL-luciferase), and a selectable marker portion (neoR, neomycine phosphotransferase). The construct is flanked by 5' and 3' NTRs (non-translated regions) from HCV type 1b. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that replicate HCV RNA autonomously and to high levels, encoding inter alia luciferase, were used for screening the antiviral compounds. The replicon cells were plated in 384 well plates in the presence of the test and control compounds which were added in various concentrations. Following an incubation of three days, HCV replication was measured by assaying luciferase activity (using standard luciferase assay substrates and reagents and a Perkin Elmer ViewLux&trade; ultraHTS microplate imager). Replicon cells in the control cultures have high luciferase expression in the absence of any inhibitor. The inhibitory activity of the compound was monitored on the Huh-Luc cells, enabling a dose-response curve for each test compound.
8371	1	Replicon Assay	The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an Internal Ribosome Entry Site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter portion (FfL-luciferase), and a selectable marker portion (neoR, neomycine phosphotransferase). The construct is bordered by 5' and 3' NTRs (non-translated regions) from HCV type 1b. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that express HCV RNA, which replicates autonomously and to high levels, encoding inter alia luciferase, are used for screening the antiviral compounds. The replicon cells were plated in 384 well plates in the presence of the test and control compounds which were added in various concentrations. Following an incubation of three days, HCV replication was measured by assaying luciferase activity (using standard luciferase assay substrates and reagents and a Perkin Elmer ViewLux&trade; ultraHTS microplate imager). Replicon cells in the control cultures have high luciferase expression in the absence of any inhibitor.
8371	2	Inhibition Assay	Measurement of HCV NS5B polymerization activity was performed by evaluating the amount of radiolabeled GTP incorporated by the enzyme in a newly synthesized RNA using heteropolymeric RNA template/primer. The RdRp assay was carried out in 384-well plates using 50 nM of purified NS5B enzyme, which was incubated with 300 nM 5'-biotinylated oligo(rG13)/poly(rC) or oligo (rU15)/poly(rA) primer-template, 600 nM of GTP, and 0.1 &mu;Ci of [3H]GTP or [3H]UTP in 25 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 25 mM KCl, 17 mM NaCl and 3 mM of DTT. The 30 &mu;L reaction mixture was incubated at room temperature for 2 h before stopping the reaction by adding 30 &mu;L of streptavidin coated SPA-beads (GE Healthcare, Uppsala, Sweden) in 0.5 M EDTA. The 30 &mu;L reaction was terminated after 2 hours at 25&deg; C. upon addition of 30 &mu;l streptavidin-coated SPA beads (GE Healthcare, Uppsala, Sweden 5 mg/ml in 0.5 M EDTA). After incubation at 25&deg; C. for 30 min, the plate was counted using a Packard TopCount microplate reader (30 sec/well, 1 min count delay) and IC50 values were calculated (Table 1: IC50 1bJ4).
8371	3	Primer-Dependent Transcription Assay	IC50 con1b were determined according to the method as described previously (Pauwels et al, 2007, J Virol 81:6909-19) using a primer-dependent transcription assay. Following a 10 minute preincubation with the inhibitor, 20 nM of purified Con1b NS5B enzyme was incubated for 10 min. with 150 nM 5&#8242;-biotinylated oligo (rG13) primer, 15 nM poly(rC) template, 19 mM Tris-HCl, 5 mM MgCl2, 17 mM NaCl, 21 mM KCl, and 2.5 mM DTT. 600 nM GTP and 0.13 &#956;Ci of [3H]GTP was then added to initiate the 40-&#956;l reaction mixture, which was then incubated at room temperature for 2 h before the reaction was stopped by addition of 40-&#956;l streptavidin-coated SPA beads.
8371	4	Surface Plasmon Resonance (SPR)-Based Assay	All measurements were performed on a Biacore T100 instrument (GE Healthcare). The purified HIS6-tagged NS5B&Delta;C21 polymerases were immobilized using non-covalent capturing to an NTA sensor chip (GE Healthcare) in immobilization buffer (20 mM MOPS pH 7.4, 500 mM NaCl, 0.005% Tween-P20, 1 mM DTT, 50 &mu;M EDTA). Interaction studies were all performed at 25&deg; C. Inhibitors were serially diluted in running buffer (20 mM Tris-HCl pH 7.4, 150 mM NaCl, 50 &mu;M EDTA, 1 mM DTT, 0.005% Tween-P20) containing 5% dimethyl sulfoxide (DMSO). Single-cycle kinetics were used, in which 5 increasing concentrations of compound were injected for a period of 300 s each in 1 single cycle, and dissociation was monitored for a period of 1200 s. The sensor surface was completely regenerated in between the cycles.
8372	1	In Vitro Assay	CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medium (F12 HAMS 90% (v/v)/FCS 10% (v/v), Penicilin/streptomycin 1% (v/v)). 5000 cells per well (in 20 &mu;l) are seeded in a 384 well plate (white-walled, clear bottom; BD Falcon #353274). The plate is incubated at 37&deg; C./5% CO2 for 24 hours. Medium is then replaced by 20 &mu;l OPTIMEM (Invitrogen #31985) for 3 to 4 hours. Test compounds are dissolved at 10 mM in DMSO and serially diluted in DMSO to 200&times; of the final concentration for dose response curves. Compounds are then diluted 1:33.3 in HBSS1&times;. 5 &mu;l/well of HBSS1&times;/20 mM HEPES/0.2% BSA are added to the assay plate followed by addition of 5 &mu;l/well of diluted compounds. CXCL12 (Peprotech #300-28A) may be used as a reference agonist. The plate is incubated for 90 minutes at 37&deg; C. 12 &mu;l of detection reagent (Path Hunter Detection Kit, DiscoveRx, #93-0001) is transferred to the assay plate and to the plate is incubated for 1 hour at room temperature. Luminescent signal is read in a microplate reader (FLUOstar Optima, bmg).
8375	1	HTRF FRET Assay	This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 &mu;l are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &mu;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window Inhibitor.
8375	2	HTRF FRET Assay	BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor compounds, prepared at 3&times; the desired final concentration in 1&times;BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1&times;BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &mu;M for 4 &mu;M for autoBACE-2) prepared in 1&times;BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30 ° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &mu;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies).
8376	1	Activity Assay	Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at &#8722;80 C until use. See Curnutte et al., J. Biol. Chem. 1987, 262, 6450-6452, hereby incorporated by reference. Membranes are mixed with recombinant, purified cytosolic regulatory proteins (p67Np47N chimera, and a constitutively active mutant of Rac, Rac1(Q61)) and FAD, along with varying concentrations of compound, and LO12, which emits light when it reacts with ROS. The reaction is initiated by addition of NADPH and SDS (an artificial activator of Nox2).Nox2 assay in human neutrophils: Human neutrophils were obtained from healthy volunteers (REF). LO12 luminescence was quantified as above. Nox4 assay using stably transfected HEK cell: HEK cells stably transfected with human Nox4 were incubated with varying concentrations of compound along with LO12.
8376	2	Control Assay	Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the Nox2 enzymatic system as the source of ROS in the Nox2/LO12 assay. Xanthine is added to initiate the reaction and LO12 luminescence is recorded. In the other, exogenous H2O2 is supplied in place of the Nox4 expressing H2O2-generating cells and luminescence is recorded.
8377	1	Immumoenzymatic Assay	Solutions of the tested compounds in DMEM medium {DMEM) 1x; Source: Cellgro; Catalogue: 10-013-CV} were prepared immediately before use. Eleven serial three fold dilutions with variation of concentrations from 20 nM to 0.2 pM were prepared. In 4 hours after seeding, serial dilutions of the compounds were added to the cells (100 ul to each well). Final concentration of tested compounds was varied from 10 nM to 0.1 pM, and DMSO4 0.5%. If it was necessary, higher concentrations of the disclosed azoles were investigated. Each dilution of the compound was tested on two identical wells. Then the cells were incubated for three days at 37&deg; C./5% CO2 and fixed by addition of acetone/methanol (1:1) mixture in amount of 250 ul/well. In 1 min the cells were washed 3 times with PBS (Phosphate Buffered Saline) solution. Then the cells were blocked by addition of 10% fetal calf serum in PBS solution in amount of 150 ul/well for 1 h at room temperature. Then, the cells were incubated with mouse monoclonal antibodies to cor-antigen HCV, don C7-50 (Source: Affinity BioReagents; Catalogue: MA1-080) (100 ul/well, working dilution 1:500 in 10% fetal calf serum in PBS solution) for 2 h at 37&deg; C. The cells were washed 6 times with PBS/0.05% Tween 20 solution, then, they were incubated for 1 h with goat anti-mouse immunoglobulin antibodies (conjugated with horseradish peroxidase, 100 ul/well, working dilution 1:2500 in 10% fetal calf serum in PBS solution). The cells were washed 6 times with PBS/0.05% Tween 20 solution, once with PBS solution, after that substrate (1 tablet of o-phenylenediamine (oPD)+12 ml citrate/phosphate buffer+5 ul 30% H2O2) in amount of 100 ul/well was added. The plates were kept for 30 min in the dark at room temperature. The reaction was arrested by the addition of 2N H2SO4 in amount of 100 ul/well, and optical density (wavelength 490 nm) was measured by means of multiscan plate reader Victor3 V 1420 (Perkin Elmer). IC50 values (azole concentration, lowering the level of virus RNA-replicon on 50%) for every tested azole were calculated with the help of XLfit 4 program.
8378	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP&reg; FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP&reg; technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &mu;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &mu;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. A Labcyte Echo 555 (Labcyte, Sunnyvale, Calif.) is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. A solution of enzyme (1/1600 dilution from aliquots; sufficient to produce 20% substrate conversion) and a separate solution of FAM-labeled cAMP PDE from Molecular Devices (product # R7506), at a final concentration of 50 nM are made in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). The enzyme and the substrate are then added to the assay plates in two consecutive additions of 10 &mu;L, and then shaken to mix. The reaction is allowed to proceed at room temperature for 30 minutes. A binding solution is then made from the kit components, comprised of 80% Solution A, 20% Solution B and binding reagent at a volume of 1/600 the total binding solution. The enzymatic reaction is stopped by addition of 60 &mu;L of the binding solution to each well of the assay plates and the plates are sealed and shaken for 10 seconds. The plate was incubated at room temperature for at least one hour prior to determining the fluorescence polarization (FP). The parallel and perpendicular fluorescence of each well of the plate was measured using a Perkin Elmer EnVision&trade; plate reader (Waltham, Mass.).
8378	2	Inhibition Assay	Inhibition assay using CYP2C9
8380	1	Inhibitory Assay	Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a mitochondria extraction solution (0.25 M Sucrose, 2 mM EDTA, 10 mM Tris/HCl pH 7.5) of 9 times of tumor weight was added thereto, and crushing was carried out thereon. The reaction mixture was centrifuged at 600×g and 4° C. for 10 minutes to obtain a supernatant, and the supernatant was centrifuged at 14000×g and 4° C. for 10 minutes, thereby obtaining a pellet. The pellet was suspended in 10 mM Tris/HCl pH 7.5 of 5 times of the excised tumor weight, thereby obtaining a human mitochondrial suspension.Next, 25 &#956;l of the human mitochondrial suspension per 1 ml of Complex I activity measurement solution (200 mM potassium phosphate pH 7.6, 0.35% Bovine Serum Albumin (BSA), 60 &#956;M 2,6-dichlorophenol-indophenol, 70 &#956;M decylubiquinone, 1 &#956;M antimycin) was added. 
8380	2	Activation Assay	In order to make MDA-MB-453 cell become 15000 cells per well, each 36 &mu;l was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (manufactured by Life Technologies Corp.) in a 384 well plate, followed by culturing at 37&deg; C. overnight in the absence of CO2. The following day, the test compound and DMSO which is a solvent for the test compound as a negative control were diluted with a fresh medium so as to become 10-fold concentration of the final concentration, and the resultant product was added by 4 &mu;l to each well (the test compound had 10 steps in a final concentration from 10000 nM to 0.3 nM, a final concentration of DMSO was 0.1%), followed by culturing at 37&deg; C. for 2 hours in the absence of CO2. After the incubation, 20 &mu;l of a 40% glyoxal solution (Nacalai Tesque) was added to each well, and then cells were fixed by leaving to stand at room temperature for 30 minutes. Thereafter, the supernatant was removed by centrifuging the plate, and then 0.1% Triton X-100-containing Phosphate-Buffered Saline (PBS) was added to each well by 20 followed by incubating at room temperature for 10 minutes. The 0.1% Triton X-100-containing PBS was removed by centrifuging for 8 seconds at 800 rpm (all solution removal operation by centrifuge described below were carried out under the same conditions), and then a blocking solution (ODYSSEY Blocking Buffer; manufactured by Li COR Biosciences) was added to each well by 20 &mu;l, followed by leaving to stand at room temperature for 1 hour. The blocking solution was removed by centrifuging, with the exception of the blocking solution by centrifugation, and then a blocking solution which was diluted such that the amount of phosphorylation antibody (manufactured by Cell Signaling Technology, Inc) of ACC Ser79 as a primary antibody is 1/500 was added to each well by 10 followed by leaving to stand at 4&deg; C. overnight. The following day, the reaction liquid was removed by centrifuging the plate, and then 0.05% Tween-20-containing Tris-Buffered Saline (TBS) (manufacture by Thermo Scientific Inc.; used in 1&times; in which 20&times;TBS Tween-20 was diluted with ion-exchange water) was added to each well by 25 followed by washing each well by centrifugal removal. The washing of each well was repeated for a total of 3 times. After washing, a blocking solution which was diluted such that the amount of IRDye 800CW Goat anti-Rabbit IgG (manufactured by Li&minus;CoR Biosciences) as a secondary antibody is 1/1000 was added to each well by 10 &mu;l, followed by leaving to stand at room temperature for 1 hour. After the secondary antibody reaction, the reaction liquid was removed by centrifuging the plate, and then each well was washed three times with 0.05% Tween-20-containing TBS in the same manner as after the primary antibody reaction. After the washing solution was removed, without change, the plate was air-dried at room temperature for 3 hours or longer and signals were measured by Aerius (manufactured by Li&minus;CoR Biosciences).
8380	3	Cell Proliferation Inhibition Assay	In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate (Lipidure-Coat plate AT-384; manufactured by NOF Corporation), 36 &#956;l/well was seeded in Leibovitz&#39;s L-15 medium including 10% fetal bovine serum (manufactured by Life technologies Corp.), followed by culturing at 37° C. overnight in the presence of CO2. The following day, the test compound (the test compound had 11 steps in a final concentration from 10000 nM to 0.1 nM), and DMSO which is a solvent for the test compound as a negative control were diluted with the medium, and 4 &#956;l was added to cells. Thereafter, the cells were cultured for 4 days at 37° C. in the absence of CO2, and a cytometric reagent (CellTiter-Glo Luminescent Cell Viability assay manufactured by Promega Corporation) was added. The resultant product was stirred for 30 minutes, and then measurement was carried out using a luminescence measurement apparatus 
13107	2	Electrophysiology	Table 2: Electrophysiological experiments were performed using the Roboocyte instrument (MultiChannelSystems, Reutlingen, Germany) on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly superfused by a solution containing (in mM) NaCl 90, KCl 1, HEPES 5, MgCl2 1, CaCl2 1 (pH 7.4). Oocytes were impaled by two glass microelectrodes (resistance: 0.5-0.8 MΩ) which were filled with a solution containing KCl 1M+K-acetate 1.5 M and voltage-clamped to −80 mV. The recordings were performed at room temperature using the Roboocyte two-electrode voltage clamp system (Multichannelsystem). After an initial equilibration period of 1.5 min GABA was added for 1.5 min at a concentration evoking approximately 20% of a maximal current response (EC20). After another rest interval of 2.5 min GABA was again added evoking a response of similar amplitude and shape. 0.5 min after the onset of this second GABA application the test compound, at a concentration corresponding to approximatively 30-fold its Ki α2β2γ1, was added while GABA was still present. Current traces were recorded at a digitization rate of 10 Hz during and shortly before and after the GABA application.
8382	1	Biochemical Assay	The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4&deg; C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. A similar method for isolation of FASN from SKBr3 cells is described in Teresa, P. et al. (Clin. Cancer Res. 2009; 15(24), 7608-7615). FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4'-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission on reaction with the sulfhydryl group of CoA.
8384	1	In Vitro Biological Assay	An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or modified histone of interest, or an isolated oligonucleosome substrate) with recombinant DOT1L enzyme (e.g., recombinant protein containing amino acids 1-416); (2) adding a candidate compound of the invention to this mixture; (3) adding non-radioactive and 3H-labeled S-Adenosyl methionine (SAM) to start the reaction; (4) adding excessive amount of non-radioactive SAM to stop the reaction; (4) washing off the free non-incorporated 3H-SAM; and (5) detecting the quantity of 3H-labeled histone substrate by any methods known in the art (e.g., by a PerkinElmer TopCount platereader).
8385	1	Inhibition Assay	The potency of inhibition of compound I and compound II on prostaglandin F2&alpha; receptor was assessed by analyzing the affinity of these compounds for recombinant FP receptor expressed in HEK293-EBNA cells. The results show high binding affinity of compound I and compound II to the human receptor. Selectivity of compound II was tested against all eight prostaglandin receptor subtypes. Selectivity was approximately 10-fold versus prostaglandin E receptor 2 (EP2) and higher than 100-fold against other receptors. Testing the effect of 1 &mu;M compound II against a panel of 50 receptors, channels and enzymes binding sites showed high selectivity for FP. The functional characterization of compound II on human FP was performed in transfected HEK293-EBNA cells.
8369	2	Functional Assay	The assay was performed as described below, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection marker and were grown in Dulbecco's Modified Eagle Medium (DMEM, Gibco BRL) supplemented with 10% fetal bovine serum, penicillin/streptomycin (50 units/mL), and 500 &mu;g/mL geneticin in 5% CO2 at 37&deg; C. Cells were passaged frequently, every 3-5 days, to avoid overgrowth, depletion of essential medium components, or acidic medium exposure. Cells were passaged using a brief wash in 0.05% trypsin with 1 mM EDTA, followed by dissociation in divalent-free phosphate-buffered saline (Hyclone #SH30028.02). Dissociated cells were seeded onto poly-D-lysine coated black-walled 96-well plates (Biocoat; Becton Dickinson #354640) at about 40,000 cells per well and grown for approximately 1 day in culture medium to near confluency. The assay buffer was composed of 130 mM NaCl, 2 mM KCl, 2 mM MgCl2, 10 mM HEPES, 5 mM glucose, and either 2 mM or 20 &mu;M CaCl2. On the day of the experiment, the culture medium was replaced with 2 mM calcium assay buffer using an automated plate washer (ELx405; Biotek, VT). The cells were incubated in 100 &mu;L/well Fluo-3/AM (2 &mu;M; TEFLabs #0116) with Pluronic F127 (100 &mu;g/mL; Sigma #P2443) for 1 h at rt in the dark. After loading the cells, the dye solution was replaced with 50 &mu;L/well of 20 &mu;M calcium assay buffer using the ELx405 plate washer. Test compounds (50 &mu;L/well) were added to the plate and incubated for 30 min. Intracellular Ca2+ levels were subsequently assayed using a Fluorometric Imaging Plate Reader (FLIPR&trade; instrument, Molecular Devices, CA) to simultaneously monitor Fluo-3 fluorescence in all wells (&lambda;excitation=488 nm, &lambda;emission=540 nm) during challenge with agonist (capsaicin). The IC50 values were determined. Cells were challenged with 150 nM capsaicin and the fluorescence counts were captured following agonist addition at a sampling rate of 0.33 Hz. The contents of the wells were mixed 3 times (40 &mu;L mix volume) immediately after the additions were made. Concentration dependence of block was determined by exposing each well of cells in duplicate rows of a 96 well plate to a serial dilution of test compound. The concentration series usually started at 10 M with a three-fold serial decrement in concentration. The magnitude of the capsaicin response was determined by measuring the change in fluo3 fluorescence before and 100 seconds after the addition of the agonist.
8373	1	Transactivation Assay	For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979), which express the human androgen receptor stably and recombinantly (full length, wild-type form, see Swiss-Prot Acc. No. P10275, Entry Version 159, Sequence Version 2). In addition, these PC3 cells contain a stably integrated reporter gene plasmid, which is based on the commercially available plasmid pGL4.14 (#E6691, Promega Corporation, Madison, Wis., USA) and contains the luciferase gene from the American firefly (Photinus pyralis) under the control of the MMTV promoter (Cato et al., EMBO J. 6: 363-368, 1987). These cells were propagated in routine cell culture at 37&deg; C. and 5% CO2 in a medium containing 90% RPMI 1640 (Invitrogen GmbH, Darmstadt, Germany), 100 U penicillin, 100 &mu;g/ml streptomycin (Invitrogen), 4 mM L-glutamine (Invitrogen), 10% fetal calf serum (FCS Serum Gold, PAA Laboratories GmbH, C&ouml;lbe, Germany), 600 &mu;g/ml Geneticin (G418-sulphate, Invitrogen) and 10 &mu;g/ml puromycin (Sigma Aldrich GmbH, Germany). For carrying out the transactivation assays, approx. 1000 cells per well were plated out in a 384-well cell culture plate in a medium that contained activated charcoal-treated calf serum (FCS Serum Gold, PAA Laboratories) at a concentration of 5% (v/v). The test substances were added in a concentration series from 5.12&times;10^&minus;12 to 1&times;10^&minus;5 M in the presence of 1&times;10^&minus;1&deg; R1881 (methyltrienolone). The test plates were incubated overnight at 37&deg; C. and 5% CO2. After 16 hours, 15 &mu;l of Steady Glo Lysis and Detection reagent (E2550, Promega Corporation, Madison, Wis., USA) was added per well and the luminescence was read in a Topcount Luminometer (PerkinElmer, Waltham, Mass., USA) for 4 seconds per well. The luminescence values obtained were normalized, wherein 100% corresponded to the effect of the unstimulated control (without R1881), and 0% corresponded to the effect of the stimulated control (R1881 plus DMSO instead of test substance).
8373	2	Transactivation Assay	PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMPI 1640 medium (F1235, Biochrom AG, Berlin, Germany), which contained activated charcoal-treated calf serum (FCS Serum Gold, PAA Laboratories) at a concentration of 5% (v/v). On the next day the cells were transiently transfected with the pSG5-vector (#216201 Stratagene), which contained the sequence of the androgen receptor mutant W741C (Haapala et al., Lab Invest. 81(12): 1647-51, 2001), and with a reporter plasmid based on pGL4.14 (#E6691, Promega) with the luciferase-gene (from Photinus pyralis) under the control of the MMTV promoter (Cato et al., EMBO J. 6: 363-8, 1987). The cells were treated with the test substances in concentrations from 1&times;10^&minus;8 to 1&times;10^&minus;10 M in the presence of 1&times;10^&minus;10 M R1881 and were incubated overnight at 37&deg; C. and 5% CO2. After 24 hours, 100 &mu;l of Steady Glo Lysis and Detection reagent (E2550, Promega) was added per well and the luminescence was read in a Victor3 Luminometer (PerkinElmer) for 1 second per well. The luminescence values obtained were normalized, wherein 100% corresponded to the effect of the unstimulated control (without R1881), and 0% corresponded to the effect of the stimulated control (R1881 plus DMSO instead of test substance).
8373	3	Transactivation Assay	PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMPI 1640 medium (F1235, Biochrom AG Berlin, Germany) that contained activated charcoal-treated calf serum (FCS Serum Gold, PAA Laboratories) at a concentration of 5% (v/v). On the next day the cells were transiently transfected with the pSG5-vector (#216201 Stratagene), which contained the sequence of the androgen receptor mutant E709Y (Georget et al., Mol. Endocrinol. 20(4): 724-734, 2006), and with the MMTV-luciferase plasmid (see above, transactivation assay for the androgen receptor mutant W741C). The cells were treated with the test substances in concentrations from 1&times;10^&minus;8 to 1&times;10^&minus;10 M in the presence of 1&times;10^&minus;10 M R1881 and were incubated overnight at 37&deg; C. and 5% CO2. After 24 hours, 100 &mu;l of Steady Glo Lysis and Detection reagent (E2550, Promega) was added per well and the luminescence was read in a Victor3 Luminometer (PerkinElmer) for 1 second per well. The luminescence values obtained were normalized, wherein 100% corresponded to the effect of the unstimulated control (without R1881), and 0% corresponded to the effect of the stimulated control (R1881 plus DMSO instead of test substance).
13108	1	Z′-LYTE Assay	Using a bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514), 100 nL of 100× test compound in 100% DMSO was added. Followed by 2.4 μL of kinase buffer, 5 μL of 2× peptide/kinase mixture, and 2.5 μL-4×ATP solution. The plate was then shaken for 30 seconds and held at room temperature for a 60 minute kinase reaction incubation period. At which point 5 μL of development reagent solution was added and the plate was shaken for 30 seconds. The plate was held again at room temperature for a 60 minute development reaction incubation period and then read on a fluorescence plate reader and analyzed.
8379	1	ELISA-Based In Vitro Kinase Assay	GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (Clontech) and purified using Glutathione Sepharose 4B affinity beads (GE Healthcare). Recombinant 3C protease was used to remove the GST tag. Purified ALK was used to screen inhibitors in the ELISA-based kinase assay, as follows: Nunc-Immuno 96-well plates were incubated overnight at 30&deg; C. with coating solution containing 2 &mu;g of a specific ALK peptide substrate (ARDIYRASFFRKGGCAMLPVK) in PBS. Wells were then washed with 200 &mu;L of wash buffer (PBS-Tween 0.05%) and incubated with 4% BSA in PBS for at least 2 h at 30&deg; C. The kinase reaction was performed in the presence of 50 mM Tris pH 7.5, 5 mM MnCl2, 5 mM MgCl2, 0.3 mM ATP and purified rALK in a total volume of 100 &mu;L/well at 30&deg; C. for 15 min. For inhibitor testing the reaction mix was preincubated with inhibitor or vehicle for 10 min at room temperature before transferring to the ELISA plate. After the reaction, the wells were washed 5 times with 200 &mu;L of wash buffer. Phosphorylated peptide was detected using 100 &mu;L/well of a mouse monoclonal anti-phosphotyrosine antibody (clone 4G10 UpstateBiotech Ltd) diluted 1:2000 in PBS+4% BSA. After 30 min incubation at room temperature the antibody was removed and wells were washed as described above. 100 &mu;L of a secondary antibody (anti-mouse IgG, Horseradish Peroxidase linked whole antibody, Amersham Pharmacia Biotech) diluted 1:1000 in PBS+4% BSA was added to each well and the plate was incubated again for 30 min at room temperature before washing as above. The plate was developed using 100 &mu;L/well TMB Substrate Solution (Pierce) and the reaction was stopped by adding an equal volume of 1M H2SO4. Finally, the absorbance was read at 450 nm using an ELISA plate reader (Bio-Rad).
8381	1	Binding Assay	Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 receptor (5 ug of total protein), 0.5 nM [33P] 2MeS-ADP (PerkinElmer; 2,000 Ci/mmol), and various concentrations of the test compound (usually between 50 uM and 10 pM) in Buffer B containing 1% DMSO. Reactions were allowed to proceed to completion at room temperature for 1 hour and then the aqueous solution aspirated.
8381	2	Scintillation Proximity Assay (SPA)	A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes were provided by Biology and the cloning of the receptor and P2Y1 receptor membrane preparation is same as described by Biology). Binding reactions were performed in 384-well OptiPlates (PerkinElmer Life Sciences, Cat #6007299) in a volume of 50 uL containing 15 fmol of P2Y1 receptor (1.7 ug of total protein), 0.3 nM [33P] 2MeS-ADP (PerkinElmer; 2,000 Ci/mmol), various concentrations of the test compound (usually between 10 uM and 160 pM) in Buffer B containing 1% DMSO in assay buffer (15 mM, HEPES, 145 mM potassium chloride, 5 mM sodium Chloride, 5 mM EDTA, 0.1 mM MgCl2, pH 7.4) and 100 ug of SPA bead (WGA polystyrene Image beads, #RPNQ 0260V, Amersham). Reactions were allowed to proceed to completion at room temperature for 1 hour followed by centrifugation of the plate for 5 min. About 40 uL of the aqueous soluttion was aspirated. Plates were sealed and the [33P] 2MeS-ADP bound to the P2Y1 receptor membranes that were bound to the SPA bead were determined in a Gen 4 LEADSEEKERSM (Amersham) Image Reader. Dose-response curves (IC50) were fit by non-linear regression (Toolset an in house data processing program) and binding constants (Ki) calculated using the Cheng-Prusoff relationship (Ki=IC50/(1+L/Kd) in which a Kd for 2MeS-ADP to the P2Y1 receptor was determined to be 14 nM.
8374	1	Reporter Assay	Huh7-high CD81 cells were plated at a cell density of 8000 cells per well in 96 well plates (Perkin Elmer, cat #6005660). Cells were plated in 100 &mu;l of Dulbecco's Modified Eagle Medium (DMEM-Glutamax&trade;-I, Invitrogen Cat #10569-010) supplemented with 10% Fetal Bovine Serum (Invitrogen Cat #10082-147) and 1% penicillin/streptomycin (Invitrogen cat #15070-063). Cells were allowed to equilibrate for 24 hours at 37&deg; C. and 5% CO2 at which time compounds and pseudotyped viruses were added. On the day of the assay, HCVpp aliquots were thawed in 37&deg; C. water bath and kept at 4&deg; C. until use. Compounds (or medium as a control) were diluted in 3 fold dilution series in DMEM-Glutamax&TRADE;-I with 2% DMSO and 2% penicillin/streptomycin. The 100 &mu;l plating medium in each culture well was removed followed by the addition of 50 &mu;l compound dilutions and 50 l thawed HCVpp. Firefly luciferase reporter signal was read 72 hours after the addition of compounds and HCVpp using the Steady-Glo luciferase Assay System (Promega, cat # E2520) following the manufacturer's instruction.
8383	1	cAMP Assay	HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 &#956;l of cAMP assay buffer (DMEM, 2 mM IBMX, 0.2 mg/ml bovine serum albumin, 35 mM Hepes-NaOH, pH 7.4) containing human PTH(1-34) or each compound was added and the plate was placed in a 37° C. incubator. The cells were incubated for 20 minutes. After removing the medium, the cells were washed with 100 &#956;l of cAMP assay buffer once. The plate was placed on dry ice powder to freeze the cells and then removed from the dry ice. The cells were lysed with 40 &#956;l of 50 mM HCl and frozen again on dry ice. The amount of intracellular cAMP produced was measured using a commercially available cAMP EIA kit (Biotrack cAMP EIA system, GE health care).
8383	2	cAMP Assay	Instead of HKRK-B7 cells, LLC-PK46_RATO_PTH1R cells overexpressing rat PTH1R, which were established at Chugai Pharmaceutical, were used to take measurements in a similar manner to Test Example 1: HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 cells/well and incubated overnight. On the following day, 50 &#956;l of cAMP assay buffer (DMEM, 2 mM IBMX, 0.2 mg/ml bovine serum albumin, 35 mM Hepes-NaOH, pH 7.4) containing human PTH(1-34) or each compound was added and the plate was placed in a 37° C. incubator. The cells were incubated for 20 minutes. After removing the medium, the cells were washed with 100 &#956;l of cAMP assay buffer once. The plate was placed on dry ice powder to freeze the cells and then removed from the dry ice. The cells were lysed with 40 &#956;l of 50 mM HCl and frozen again on dry ice. The amount of intracellular cAMP produced was measured using a commercially available cAMP EIA kit (Biotrack cAMP EIA system, GE health care).
8386	1	Cellular Assay	Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 &mu;l EMEM medium containing 1% L glutamine and 10% FBS and allowed to adhere overnight. The following morning compounds of Formula (I) in 100% DMSO were added to assay plates by acoustic dispensing. After 1 h incubation at 37&deg; C. and 5% CO2 plates (up to 6 at a time) were irradiated using the X-RAD 320 instrument (PXi) with equivalent to 600 cGy. Plates were returned to the incubator for a further 1 h. Then cells were fixed by adding 20 &mu;l of 3.7% formaldehyde in PBS solution and incubating for 20 minutes at r.t. before being washed with 50 &mu;l/well PBS, using a Biotek EL405 plate washer. Then 20 &mu; 0.1% Triton X100 in PBS was added and incubated for 20 minutes at r.t., to permeabalise cells. Then the plates were washed once with 50 &mu;l/well PBS, using a Biotek EL405 plate washer. Phospho-ATM Ser1981 antibody (Millipore #MAB3806) was diluted 10000 fold in PBS containing 0.05% polysorbate/Tween and 3% BSA and 20 &mu;l was added to each well and incubated over night at r.t. The next morning plates were washed three times with 50 &mu;l/well PBS, using a Biotek EL405 plate washer, and then 20 &mu;l of secondary Ab solution, containing 500 fold diluted Alexa Fluor&reg; 488 Goat anti-rabbit IgG (Life Technologies, A11001) and 0.002 mg/ml Hoeschst dye (Life technologies #H-3570), in PBS containing 0.05% polysorbate/Tween and 3% BSA, was added. After 1 h incubation at r.t., the plates were washed three times with 50 &mu;l/well PBS, using a Biotek EL405 plate washer, and plates were sealed and kept in PBS at 4&deg; C. until read. Plates were read using an ArrayScan VTI instrument, using an XF53 filter with 10&times; objective. A two laser set up was used to analyse nuclear staining with Hoeschst (405 nm) and secondary antibody staining of pSer1981 (488 nm).
8386	2	Cellular Assay	Assay b) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 6000 cells/well in 40 &mu;l EMEM medium containing 1% L glutamine and 10% FBS and allowed to adhere overnight. The following morning compound of Formula (I) in 100% DMSO was added to assay plates by acoustic dispensing. After 1 h incubation at 37&deg; C. and 5% CO2, 40 nl of 3 mM 4NQO in 100% DMSO was added to all wells by acoustic dispensing, except minimum control wells which were left untreated with 4NQO to generate a null response control. Plates were returned to the incubator for a further 1 h. Then cells were fixed by adding 20 &mu;l of 3.7% formaldehyde in PBS solution and incubating for 20 mins at r.t. Then 20 &mu;l of 0.1% Triton X100 in PBS was added and incubated for 10 minutes at r.t., to permeabalise cells. Then the plates were washed once with 50 &mu;l/well PBS, using a Biotek EL405 plate washer. Phospho-Chk1 Ser 345 antibody (Cell Signalling Technology #2348) was diluted 150 fold in PBS containing 0.05% polysorbate/Tween and 15 &mu;l was added to each well and incubated over night at r.t. The next morning plates were washed three times with 50 &mu;l/well PBS, using a Biotek EL405 plate washer, and then 20 &mu;l of secondary Ab solution, containing 500 fold diluted Alexa Fluor 488 Goat anti-rabbit IgG (Molecular Probes #A-11008) and 0.002 mg/ml Hoeschst dye (Molecular Probes #H-3570), in PBST, was added. After 2 h incubation at r.t., the plates were washed three times with 50 &mu;l/well PBS, using a Biotek EL405 plate washer, and plates were then sealed with black plate seals until read. Plates were read using an ArrayScan VTI instrument, using an XF53 filter with 10&times; objective. A two laser set up was used to analyse nuclear staining with Hoeschst (405 nm) and secondary antibody staining of pChk1 (488 nm).
8386	3	Cellular Assay	Assay c) BT474 cells (human breast ductal carcinoma, ATCC HTB-20) were seeded into black 384 well plates (Costar, #3712) at a density of 5600 cells/well in DMEM containing 10% FBS and 1% glutamine and allowed to adhere overnight. The following morning compounds in 100% DMSO were added to assay plates by acoustic dispensing. After a 2 h incubation at 37&deg; C. and 5% CO2, the medium was aspirated and the cells were lysed with a buffer containing 25 mM Tris, 3 mM EDTA, 3 mM EGTA, 50 mM sodium fluoride, 2 mM Sodium orthovanadate, 0.27 M sucrose, 10 mM &beta;-glycerophosphate, 5 mM sodium pyrophosphate, 0.5% Triton X-100 and complete protease inhibitor cocktail tablets (Roche #04 693 116 001, used 1 tab per 50 ml lysis buffer). After 20 minutes, the cell lysates were transferred into ELISA plates (Greiner #781077) which had been pre-coated with an anti total-AKT antibody in PBS buffer and non-specific binding was blocked with 1% BSA in PBS containing 0.05% Tween 20. Plates were incubated over night at 4&deg; C. The next day the plates were washed with PBS buffer containing 0.05% Tween 20 and further incubated with a mouse monoclonal anti-phospho AKT T308 for 2 h. Plates were washed again as above before addition of a horse anti-mouse-HRP conjugated secondary antibody. Following a 2 h incubation at r.t., plates were washed and QuantaBlu substrate working solution (Thermo Scientific #15169, prepared according to provider's instructions) was added to each well. The developed fluorescent product was stopped after 60 minutes by addition of Stop solution to the wells. Plates were read using a Tecan Satire plate reader using 325 nm excitation and 420 nm emission wavelengths respectively. Except where specified, reagents contained in the Path Scan Phospho AKT (Thr308) sandwich ELISA kit from Cell Signalling (#7144) were used in this ELISA assay.
8386	4	Cellular Assay	Assay d) MDA-MB-468 cells (human breast adenocarcinoma ##ATCC HTB 132) were seeded at 1500 cells/well in 40 &mu;l of DMEM containing 10% FBS and 1% glutamine into Greiner 384 well black flat-bottomed plates. Cell plates were incubated for 18 h in a 37&deg; C. incubator before dosing with compounds of formula (I) in 100% DMSO using acoustic dispensing. Compounds were dosed in a 12 point concentration range into a randomised plate map. Control wells were generated either by dosing of 100% DMSO (max signal) or addition of a reference compound (a PI3K-&beta; inhibitor) that completely eliminated the pAKT signal (min control). Plates were incubated, at 37&deg; C. for 2 h, cells were then fixed by the addition of 10 &mu;l of a 3.7% formaldehyde solution. After 30 minutes the plates were washed with PBS using a Tecan PW384 plate washer. Wells were blocked and cells permeabilised with the addition of 40 &mu;l of PBS containing 0.5% Tween20 and 1% Marvel&trade; (dried milk powder) and incubated for 60 minutes at r.t. The plates were washed with PBS containing 0.5% (v/v) Tween20 and 20 &mu;l rabbit anti-phospho AKT Ser473 (Cell Signalling Technologies, #3787) in same PBS-Tween+1% Marvel&trade; was added and incubated overnight at 4&deg; C. Plates were washed 3 times with PBS 0.05% Tween 20 using a Tecan PW384. 20 &mu;l of secondary antibody Alexa Fluor 488 anti-Rabbit (Molecular Probes, #A11008) diluted in PBS+0.05% Tween20 containing 1% Marvel&trade; was added to each well and incubated for 1 h at r.t. Plates were washed three times as before then 20 &mu;l PBS added to each well and plates sealed with a black plate sealer. The plates were read on an Acumen plate reader as soon as possible, measuring green fluorescence after excitation with 488 nm laser.
8387	1	Biochemical Assay	To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was performed in a 96-well plate (Corning, 3897) to generate 12 different concentration of 100&times; stock. A 5 &mu;l of 100&times; stock of each concentration was added to wells containing 95 &mu;l of 1&times; reaction buffer (40 mM Tris, pH7.5, mM MgCl2, 1 mM DTT and 1 mM CHAPS) to generate 5&times; stock. Then 2 &mu;l of 5&times; stock of each concentration was added to a 384 wells-OptiPlate (PerkinElmer, 6007299). For FAK, 4 &mu;l of 2.5 nM FAK, 1 &mu;l of 8 &mu;g/&mu;l BSA and 1.5 &mu;l of 666 nM ULight-poly Glu, Ala, Tyr (1:1:1) peptide substrate, prepared in above reaction buffer, were added to each well. The reaction was initiated by adding 1.5 &mu;l of 33.3 &mu;M ATP. The reaction was allowed to proceed for 120 min before being quenched with 5 &mu;l of 40 mM EDTA stop buffer prepared in 1&times;LANCE detection buffer (PerkinElmer, CR97-100). For PYK2, 5 &mu;l of 2 nM PYK2 and 1.5 &mu;l of 666 nM ULight-poly Glu, Ala, Tyr (1:1:1) peptide substrate, prepared in above reaction buffer, were added to each well. The reaction was initiated by adding 1.5 &mu;l of 46.6 &mu;M ATP. The reaction was allowed to proceed for 40 min before being quenched with 5 &mu;l of 40 mM EDTA stop buffer prepared in 1&times;LANCE detection buffer (PerkinElmer, CR97-100). Upon quenching of the reaction, 5 &mu;l of 8 nM anti-phosphotyrosine antibody was added to each well and incubated for 60 minutes.
8388	1	Kinase Assay	The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 &mu;l prepared from 15 &mu;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerol phosphate 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of GST-JAK3 enzyme with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &mu;l of 35 mM EDTA to each sample. Each reaction mixture was analyzed on the Caliper LABCHIP&reg; 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product Inhibition data were calculated by comparison with no enzyme control reactions for 100% inhibition, and vehicle-only treated reactions for 0% inhibition. The final concentration of reagents in the assay was: ATP, 8 &mu;M; fluoresceinated peptide, 1.5 &mu;M; GST-JAK3, 4.5 nM; and DMSO, 1.6%.
8388	2	Kinase Assay	The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 &mu;l prepared from 15 &mu;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerol phosphate, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of GST-JAK1 enzyme with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &mu;l of 35 mM EDTA to each sample. Each reaction mixture was analyzed on the Caliper LABCHIP&reg; 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product Inhibition data were calculated by comparison with no enzyme control reactions for 100% inhibition, and vehicle-only treated reactions for 0% inhibition. The final concentration of reagents in the assays was: ATP, 100 &mu;M; fluoresceinated peptide, 1.5 &mu;M; GST-JAK1, 12.5 nM; and DMSO, 1.6%.
8389	1	AlphaScreen Assay	Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 &mu;M start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15 nM GST-BRD4-BD1 protein (aa 44-168) or 150 nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (Lys5, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 &mu;l of the mix is added to the compound dilutions. Subsequently, 6 &mu;l of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &mu;g/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer. Each plate contains negative controls where biotinylated Acetyl-Histone H4 peptide and GST-BRD4-BD1 or GST-BRD4-BD2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. Furthermore, a positive control (probe molecule JQ1+ with protein/peptide mix) is pipetted.
8390	2	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Assay method B: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.47 mM to 7.8 nM. Compound dilutions were added directly into white, low-volume assay plates (Perkin Elmer Proxiplate 384 Plus# 6008280) using a Labcyte Echo in conjunction with Labcyte Access and Thermo Multidrop CombinL robotics. Compounds were then suspended in eight microliters (&mu;L) of assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and Alexa-647-conjugated probe. The final concentration of 1X assay mixture for assay methods A, B and C contains 2% DMSO, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively) and compound concentration in the range of: 49.02 &mu;M-15.63 nM for method A, 9.19 &mu;M 150 pM for method B, and 0.92 &mu;M 15 pM for method C. After a one-hour equilibration at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
8390	3	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Assay method C: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 0.047 mM to 0.78 nM or 5-fold serial dilution from Assay method A. Compound dilutions were added directly into white, low-volume assay plates (Perkin Elmer Proxiplate 384 Plus# 6008280) using a Labcyte Echo in conjunction with Labcyte Access and Thermo Multidrop CombinL robotics. Compounds were then suspended in eight microliters (&mu;L) of assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and Alexa-647-conjugated probe. The final concentration of 1X assay mixture for assay methods A, B and C contains 2% DMSO, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively) and compound concentration in the range of: 49.02 &mu;M-15.63 nM for method A, 9.19 &mu;M 150 pM for method B, and 0.92 &mu;M 15 pM for method C. After a one-hour equilibration at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
8390	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Assay method A: Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution from one of the following: 2.5 mM-797 nM. Compound dilutions were added directly into white, low-volume assay plates (Perkin Elmer Proxiplate 384 Plus# 6008280) using a Labcyte Echo in conjunction with Labcyte Access and Thermo Multidrop CombinL robotics. Compounds were then suspended in eight microliters (&mu;L) of assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and Alexa-647-conjugated probe. The final concentration of 1X assay mixture for assay methods A, B and C contains 2% DMSO, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively) and compound concentration in the range of: 49.02 &mu;M-15.63 nM for method A, 9.19 &mu;M 150 pM for method B, and 0.92 &mu;M 15 pM for method C. After a one-hour equilibration at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
8391	1	Stable Transfection Assay	The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an Internal Ribosome Entry Site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter portion (FfL-luciferase), and a selectable marker portion (neoR, neomycine phosphotransferase). The construct is flanked by 5' and 3' NTRs (non-translated regions) from HCV type 1b. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that replicate HCV RNA autonomously and to high levels, encoding inter alia luciferase, were used for screening the antiviral compounds.
8391	2	Transient Transfection Assay	In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expression construct. This construct comprises a firefly luciferase reporter gene preceding the NS3-NS5B subgenomic region of HCV (genotype 1a H77 or 1b Con1). Translation of the HCV subgenomic region is mediated by an internal ribosome entry site of encephalomyocarditis virus. The construct is furthermore flanked by 5' and 3' untranslated regions of HCV (genotype 1a H77 or 1b Con 1, respectively), which allow for replication of the RNA. In addition to the wild-type constructs, site-directed mutations were introduced into the transient HCV genotype 1b replicon in the gene encoding for the non-structural protein 5A (NS5A). More precisely, amino acid residues 28, 30, 31 and 93 in NS5A were independently altered. Cells were plated in 384 well plates in the presence of test and control compounds, which were added in various concentrations. Following an incubation of two days, replication of the HCV subgenomic replicon RNA was measured by assaying luciferase activity (using standard luciferase assay substrates and reagents and a Perkin Elmer ViewLux&trade; ultraHTS microplate imager).
8392	1	Time-Resolved Fluorescence-based Lanthascreen Assay	Kinase inhibition assays (10 &#956;L) were performed at 20° C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ATP (20 &#956;M) based on a radiometric assay (Invitrogen) using 8 or 10 point curves in duplicate. The final reaction conditions contained 400 nM fluorescein-IkB&#945; substrate (DRHDSGLDSMKDE), 20 &#956;M ATP, 2 nM or 8 nM IKK&#949; or TBK1 kinase respectively, and 3% DMSO in kinase assay buffer consisting of 50 mM HEPES (pH 7.5), 10 mM MgCl, 1 mM EGTA, 0.01% Brij-35.Compound dilutions were prepared from 10 mM DMSO stocks by dilution into DMSO. Compound dilution series were further diluted in kinase assay buffer to give a 12% DMSO stock, the final concentration in the assay being 3% DMSO.The kinase phosphorylation assay was initiated by the addition of the kinase and the reaction was allowed to proceed for 1 h or 2.5 h for IKK&#949; and TBK-1 kinase respectively.
8393	1	Inhibition Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions are placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). 
8393	2	Inhibition Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions are placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;l in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). 
8394	1	[125I]DOI Radioligand Binding Assay.	Radioligand binding assays for human 5-HT2A serotonin receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2, and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under vacuum pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvester. Filters were then washed several times with ice-cold wash buffer (50 mM Tris-HCl, pH 7.4). Plates were then dried at room temperature and counted in a Wallac MicroBeta scintillation counter. 
8395	1	Functional Drug Screening System (FDSS)	Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence of BD Calcium Assay Dye (BD Biosciences, Franklin Lakes, N.J., U.S.A.), utilizing a Functional Drug Screening System (FDSS) by Hamamatsu Corporation (Bridgewater, N.J. U.S.A.).Twenty-four hr prior to assay, cells were seeded in clear-base poly-D-lysine-coated 384-well plates (BD Biosciences) at a density of 5,000 cells per well in culture medium and grown overnight in 5% CO2 at 37° C. On the day of assay, growth media were removed, and cells were loaded with BD calcium assay dye (BD Biosciences) for 35 min at 37° C. under 5% CO2 and then for 25 min at room temp. Utilizing the FDSS, cells were exposed to representative compounds of Formula (I) at varying concentrations, and intracellular calcium was measured for 5 min prior to the addition of 50 mM KCl for an additional 3 min of measurement.
8396	1	HotSpot Technology Assay	The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide website: reactionbiology.com, Malvern, PA). Kinase reaction with specific kinase/ substrate pair along with required cofactors was carried out in 20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Purified recombinant kinase was incubated with serial 3-fold dilutions of test compounds starting at a final concentration of 10 &#956;M. Reaction was initiated by addition of a mixture of ATP (Sigma, St. Louis MO) and 33P ATP (Perkin Elmer, Waltham MA) to a final concentration of 10 &#956;M and was carried out at room temperature for 120 min, followed by spotting of the reaction onto P81 ion exchange filter paper (Whatman Inc., Piscataway, NJ). Unbound phosphate was removed by extensive washing of filters in 0.75% Phosphoric acid.
8397	1	IMAP-FP Assay	Assay Method A: BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, final compound concentration range in assay from 10 &mu;M to 0.508 nM) titration curve using the following outlined procedure. To each well of a black Corning 384-well microplate (Corning Catalog #3575), 200 nL of compound (100 fold dilution in final assay volume of 20 &mu;L) was dispensed, followed by the addition of 10 &mu;L of 1&times; kinase buffer (10 mM Tris pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM MnCl2, and 1 mM DTT) containing 0.16 ng/&mu;L (2.1 nM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &mu;L kinase buffer containing 100 nM Blk/Lyntide IMAP substrate peptide (5-carboxyfluorescein-EFPIYDFLPAKKK-NH2; Molecular Devices Catalog #R7188), and 10 &mu;M ATP. The final reaction in each well of 20 &mu;L consists of 1.05 nM hBTK, 50 nM Blk/Lyntide IMAP substrate, and 5 &mu;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes and were immediately quenched by the addition of 40 &mu;L IMAP detection beads resuspended in IMAP progressive binding buffer (beads were diluted 1:600 in 75% and 25% progressive binding buffer A and B, respectively; Molecular Devices). Plates were read on Packard microplate reader after 60 minutes binding equilibration using Fluorescence Polarization protocol. Specifically, fluorescence at 535 nm is measured using emission filters oriented both parallel and perpendicular to the polarized excitation filter.
8397	2	LANCE-TR-FRET Assay	Assay Method B: BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &mu;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &mu;L) was dispensed, followed by the addition of 7.5 &mu;L of 1&times; kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&mu;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &mu;L 1&times; kinase buffer containing 8 &mu;M biotinylated "A5" peptide (Biotin-EQEDEPEGDYFEWLE-NH2), and 100 &mu;M ATP. The final reaction in each well of 10 &mu;L consists of 50 pM hBTK, 2 &mu;M biotin-A5-peptide, and 25 &mu;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 &mu;L of 1&times; quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity).
8398	1	Inhibition Assay	Reaction mixtures consisting of 25 &#956;L (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 &#956;L of buffer at pH 6.8, 100 mM of urea, and 5 &#956;L of various concentrations of test compounds were incubated at 30° C. for 15 min in 96-well plates. Subsequently 45 &#956;L phenol reagents (1% w/v phenol and 0.005% w/v sodium nitroprussside), and 70 &#956;L of alkali reagent (0.5% w/v NaOH and 0.1% w/v NaOCl) were added to each well. Urease activity through indophenols method was confirmed by the production of ammonia, as described by Weatherburn [12]. After 50 min, the increasing absorbance at 630 nm was measured in a microplate reader SpectraMax M2 (Molecular Devices, CA, USA). All reactions were performed in triplicate in a final volume of 200 &#956;L. 
8399	2	Patch Clamp Assay	TRPC5 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separation) on glass coverslips for measurement. In some cases, cells were grown in low density overnight on glass coverslips. Patch clamp recordings were made in the whole-cell mode with a holding potential of &minus;40 mV. Every 5 seconds, a voltage ramp was applied from &minus;120 to +100 mV, 400 ms in duration. Currents elicited were quantified at &minus;80 mV and +80 mV. The internal solution consisted of 140 mM cesium aspartate, 10 mM HEDTA, 2 mM CaCl2, 2.27 mM MgCl2 and 10 mM HEPES, pH 7.2, with 1,400 nM calculated free Ca2+. The external solution consisted of 150 mM NaCl, 4.5 mM KCl, 1 mM MgCl2, 2 mM CaCl2 10 mM HEPES, 10 mM glucose, 1 mM EGTA, pH 7.4. Upon addition of LaCl3, TRPC5 current was induced only in TRPC5-expressing cells and not in parental HEK293 TREx cells. Removal of the LaCl3 stimulus causes most of the current to go away. Potential blockers were tested for ability to block both inward and outward currents in the continued presence of LaCl3.
8400	1	NS5B RNA Polymerase Assay	NS5B RNA polymerase reactions for IC50 determination were performed in 96-well microtiter plates in 20 &#956;L reactions containing assay buffer (50 mM Na+ HEPES, 1 mM MgCl2, 0.75 mM MnCl2, 2 mM DTT, pH 7.5), 1 U/&#956;L SUPERase. In (Life Technologies), 20 ng/&#956;L IRES RNA template, 1 &#956;M each ATP, CTP, GTP, and UTP (Life Technologies) including [&#945;-32P]-CTP at a final specific activity of 50 Ci/mmol (PerkinElmer), test compounds in 10-point half-log dilution series, and NS5B polymerase. Reactions were incubated at 27° C. for 60 minutes and terminated by dilution to 100 &#956;L in 1× stop solution (final concentrations 144 mM Na+ citrate, 1.44 M NaCl, 10 mM EDTA, pH 7.0). 80 &#956;L stopped samples were applied by vacuum to nylon membrane filtermats (PerkinElmer), washed 4× in 60 mM Na+ citrate, 600 mM NaCl (pH 7.0), rinsed sequentially in H2O and EtOH, dried, and counted in a MicroBeta2 counter with scintillation cassette (PerkinElmer).
8401	1	Urease Inhibition Assay	Mixture of 25 &#956;L of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffer of pH 6.8, 55 &#956;L of buffer containing 100 mM urea, and 5 &#956;L of test compounds (0.5 mM concentration) was incubated at 30°C for 15 min in 96-well plates. Urease activity was determined by measuring ammonia production using the iodophenol method38. Briefly, 45 &#956;L each of phenol reagent and 70 &#956;L of alkali reagent were added to each well. The increase in absorbance at 630 nm was measured after 50 min, using a microplate reader (Molecular Device, CA, USA). All reactions were performed in triplicate in a final volume of 200 &#956;L. The results (change in absorbance per min) were processed using Soft-Max Pro software (Molecular Device, CA, USA).
8402	1	In Vitro Pancreatic Lipase Assay	Various concentrations of test compound (5, 10, 25, 50 and 100 mM) were dissolved in DMSO (final culture concentration 0.1%) and 4-MU oleate and lipase were diluted in 0.1M McIlvane buffer containing 0.1M citric acid-Na2HPO4 (pH 7.4). The mixedsolution that composed of 100 mL of 0.1mM 4-MU oleate, 40 mL of the above-mentioned buffer and 10 mL of test samples was prepared before adding lipase. The enzymatic reaction was started by adding 0.05mL of 1 U/mL pancreatic lipase and incubation was carried out for 20 min at 37 °C. The amount of 4-methylumbelliferon released by the enzyme was monitored at an emission of 450 nm and excitation wavelength of 320 nm using a fluorescence spectrophotometer.
8403	1	In Vitro Inhibition Assay	For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA for different concentrations of each sulphanilamide were determined by regression analysis using Microsoft Office 2000 Excel (New York, NY). CA enzyme activity without a synthesized compounds solution was accepted as 100% activity.
8404	1	Hydratase and Esterase Activity Assays	The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 described previously [G l in et al., Biol. Pharm. Bull., 27:613-16]. Esterase activity was determined according to the method described by Verpoorte et al [Verpoorte et al., J. Biol. Chem., 242:4221-9].
8405	1	SARS-CoV PLpro Inhibition Assay	Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC, 2% DMSO and varying concentrations of inhibitor (0-200 mM). Assays were initiated with the addition of PLpro to produce a final enzyme concentration of 60 nM.
8406	1	In Vitro Inhibition Assay	For the inhibition studies of saccharin, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for different concentrations of each saccharin were determined by regression analysis using Microsoft Office 2000 Excel. CA enzyme activity without a saccharin solution wasaccepted as 100% activity.
8407	1	Thermal Shift Assay (TSA)	The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the blue channel (excitation 365&plusmn;20, detection 460&plusmn;15 nm). Samples contained 10 &mu;M protein, 0-200 &mu;M compound, 50 mM solvatochromic dye ANS (8-anilino-1-naphthalene sulfonate) and 50mM phosphate buffer containing 100 mM NaCl at pH 7.0, with the final DMSO concentration at 2%. The applied heating rate was 1 °C/min. Data analysis was performed as previously described [Kazlauska et al., PLoS ONE, 7:e36899].
8408	1	In Vitro Inhibition Assay	For the inhibition studies of sulfonamide, different concentrations of these compounds were added to the enzyme. Activity percentage values of CA for different concentrations of each sulfonamide were determined by regression analysis usingMicrosoft Office 2000 Excel (New York, NY). CA enzyme activity without a sulfonamide solution was accepted to be 100%.
8410	1	Stimultaneous Relaxation Assay	In simultaneous relaxation assay, CPT concentrations were 50 and 100 &mu;M, whereas concentration of compounds were 50, 100 and 200 &mu;M. Relaxation assay was carried out as described previously with LdTOPILS serially diluted in the relaxation buffer (25mM Tris-HCl pH 7.5, 5% glycerol, 0.5mM DTT, 10mM MgCl2, 2.5mM EDTA and 150 mg/ml BSA) supercoiled pBluescript (SK ) DNA and 50mM KCl. The amount of supercoiled monomer DNA band fluorescence after ethidium bromide (EtBr) (0.5 mg/ml) staining was quantitated by using GEL Doc 2000 from Biorad (Hercules, CA, USA).
8410	2	Preincubation Relaxation Assay	In the preincubation assay, CPT concentrations were 50 and 100 &mu;M, whereas various concentrations of compounds were 25, 50 and 100 &mu;M. LdTOP1LS was preincubated with compounds 3a-d at different concentrations for 5 min at 37 °Cbefore the addition of substrate DNA. Relaxation assay was carried out as described previously with LdTOPILS serially diluted in the relaxation buffer (25mM Tris-HCl pH 7.5, 5% glycerol, 0.5mM DTT, 10mM MgCl2, 2.5mM EDTA and 150 mg/ml BSA) supercoiled pBluescript (SK ) DNA and 50mM KCl. The amount of supercoiled monomer DNA band fluorescence after ethidium bromide (EtBr) (0.5 mg/ml) staining was quantitated by using GEL Doc 2000 from Biorad (Hercules, CA, USA).
8411	1	Inhibition Assay	The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of &alpha;-glycerol phosphate dehydrogenase (&alpha;-GPDH). The reaction was initiated by addition of 5 ng/mL of the corresponding TIM or the corresponding TIM pre-incubated with the studied compounds. In these cases, inhibition assays, the enzymes were pre-incubated for 2 h at 37 &deg;C with the studied compounds.
8412	1	Topoisomerase I Relaxation Assay	Supercoiled pHOT1 DNA (0.5 &mu;g) was incubated with four units of human topoisomerase I in relaxation buffer (10mM Tris-HCl (pH 7.8), 1mM EDTA, 0.15M NaCl, 0.1% BSA, 0.1 spermidine, 5% glycerol), in the presence of varying concentrations of the test compounds. Reactions were carried out at 37 °Cfor 1 h and then terminated by the addition of sodium dodecyl sulfate (SDS) to 0.25% and proteinase K to 50 &mu;g/ml. The reaction mixture was subjected to electrophoresis through a 0.8% agarose gel containing 0.5 mg/ml ethidium bromide in TAE buffer (40mM Tris-borate and 1mM EDTA). The gels were stained with ethidium bromide and photographed under UV light. For the quantitative determination of topoisomerase concentration activity, photographic negatives were scanned and the area representing supercoiled DNA, migrating as a single band at the bottom of the gel was measured using UVI-KS4000i gel documentation and analysis system (SyngenBiotech, Sacramento, CA).
8413	1	In Vitro Tyrosine Kinase Enzyme Assay	Protein kinase assays were performed at ambient temperature for 20-40 min (depending on the target) in a final volume of 25 &mu;l according to the following assay reaction recipe: 5 ml of diluted active protein kinase target (~10-50 nM final protein concentration in the assay), 2.5 &mu;l of peptide substrate, 3. &mu;l of kinase assay buffer, 5 &mu;l of compound or 10% DMSO, and 5 &mu;l of 33P-ATP (250 &mu;M stock solution, 0.8 mCi). The assay was initiated by the addition of 33P-ATP and the reaction mixture was incubated at ambient temperature for 20-40 min, depending on the protein kinase target. After the incubation period, the assay was terminated by spotting 10 &mu;l of the reaction mixture onto Multiscreen phosphocellulose P81 plate. The Multiscreen phosphocellulose P81 plate was washed three times for approximately 15 min each in a 1% phosphoric acid solution. The radioactivity on the P81 plate (EMD Millipore Corporation, Billerica, MA) was counted in the presence of scintillation fluid in a Trilux scintillation counter (GMI Inc., Ramsey, MN).
8414	1	CO2 Hydration Assay	The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following previously published procedures [Carta et al., Bioorg. Med. Chem., 20:2266-73].
13109	1	CDK1/Cyclin B1 ADP-Glo Kinase Assay	The purpose of CDK1/Cyclin Bi assay is to evaluate the inhibition (% inhibition and IC50 values) of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK1/Cyclin B1 catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK1/Cyclin B1 was purchased from Carna (Cat 04-102). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 80 uM ATP (ATP Km=78.6 uM), 0.01% Brig-35, 0.75 uM substrate, and 4.917 nM CDK1/Cyclin Bl enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 μL of ADP-GLO Reagent. After a 90 minute incubation, 20 μL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
13109	2	CDK2/Cyclin E1 ADP-Glo Kinase Assay	The purpose of CDK2/Cyclin El assay is to evaluate the inhibition (% inhibition and IC50 values) of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK2/Cyclin El full length catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK2/Cyclin E1 was purchased from Eurofins (Cat 14-475M). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 20 uM ATP (ATP Km=64.78 uM), 0.01% Brig-35, 0.75 uM substrate, and 0.328 nM wild-type full length CDK2/Cyclin El enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 μL of ADP-GLO Reagent. After a 90 minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
13109	3	CDK6/Cyclin D3 ADP-Glo Kinase Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition and IC50 values) in the presence of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK6/Cychin D3 was purchased from Carna. Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 100 uM ATP (ATP Km=291.7 uM), 0.01% Brig-35, 0.75 uM substrate, and 5 nM wild-type CDK6/Cyclin D3 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 μL of ADP-GLO Reagent. After a 90-minute incubation, 20 μL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
13110	1	Radioligand Competition Binding Assay	For all experiments, serotonin (5-HT) hydrochloride was used as a positive control, and an appropriate high affinity, cold ligand (e.g., mianserin hydrochloride, 10 μM, for 5-HT2Rs) was used to define non-specific binding. Each cell membrane homogenate expressing a 5-HTR was incubated at room temperature in 96-well plates with [3H]lysergic acid diethylamide ([3H]LSD) or [3H]ketanserin between 0.5 and 1 nM or [3H]mesulergine at appr. 3 nM for labeling 5-HT2Rs, or [3H]5-carboxamidotryptine (5-CT) between 0.2 and 1 nM for labeling 5-HT1A,1B,1DRs in the absence or presence of test articles (e.g., at 10 concentrations from 0.3 nM to 10 μM in half-log units) in a buffer for 90 min. Following equilibration, each sample was filtered rapidly under vacuum through fiberglass filters presoaked in a buffer and washed by vacuum several times with an ice-cold buffer. Filters were soaked with scintillation fluid and counts per minute were detected using photodetectors (Microbeta Scintillation Counter).. The Kd for [3H]LSD was set to 0.7-1.0 nM (depending on the 5-HT2R subtype labeled), for [3H]ketanserin was set to 1.6 nM for 5-HT2A, for [3H]mesulergine was set to 2.92 nM for 5-HT2C, for [3H]5-CT was set to 0.2-2.0 nM (depending on the 5-HT1R subtype labeled), and the IC50 values were computed using nonlinear, least squares regression analyses and then converted to binding affinity (Ki) values using the Cheng-Prusoff equation (GraphPad Prism 9.0, San Diego, California). Data shown are the results from all experiments combined. As is known, G protein-coupled receptors (GPCR), including the 5-HT2AR, can exist in multiple conformations, and ligands, typically agonist ligands, have unique affinities for these conformations of the receptor.
13111	1	Biochemical EGFR Inhibition Assays	Inhibitory effects of the compounds of the disclosure were measured in biochemical assays that measure the phosphorylation activity of EGFR enzyme phosphorylates 2.5 micromolar 5-FAM-EEPLYWSFPAKKK-CONH2 peptide substrate (ProfilerPro Kinase Peptide Substrate 22, PerkinElmer, Part #760366) in the presence of adenosine-5′-triphosphate (ATP) and varying concentrations of the test compound in 100 mM 2-[4-(2-hydroxyethyl) piperazin-1-yl]ethanesulfonic acid (HEPES), pH 7.5, 10 mM MgCl2, 0.015% Brij-35, 1 mM dithiothreitol (DTT), 1.0% dimehylsulfoxide (DMSO). Assays were performed at 1.0 mM ATP or at ATP Km of the EGFR enzymes. Reactions proceeded until between 10% to 20% total peptides were phosphorylated at room temperature (25° C.) and were terminated with 35 mM 2,2′,2″,2″-(ethane-1,2-diyldinitrilo)tetraacetic acid (EDTA). Product was detected using the Caliper mobility shift detection method where the phosphorylated peptide (product) and substrate were electrophoretically separated and measured. Percent activity was plotted against log concentration of compound and points to generate an apparent IC50. The following enzyme forms of EGFR were examples that were used in these assays:EGFR WT (SignalChem, E10-112G)EGFR L858R (SignalChem, E10-122BG)EGFR (d746-750) (SignalChem, E10-122JG)EGFR L858R C797S (SignalChem, E10-122ZG)EGFR (d746-750) C797S (SignalChem, E10-122TG)
8417	1	Inhibition Assay	A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. 
8418	1	Inhibition Assay	Inhibition of recombinant VEGFR-2 tyrosine kinase using exogenous substrate.
8418	2	Inhibition Assay	Inhibition of recombinant FGFR-2 tyrosine kinase using exogenous substrate.
8418	3	Inhibition Assay	Inhibition of recombinant PDGFR tyrosine kinase using exogenous substrate.
8418	4	Inhibition Assay	Inhibition of recombinant EGFR tyrosine kinase using exogenous substrate.
8418	5	Inhibition Assay	Inhibition of recombinant IR tyrosine kinase using exogenous substrate.
8418	6	Inhibition Assay	Inhibition of VEGF-stimulated VEGFR-2 autophosphorylation in intact cells.
8418	7	In Vitro Inhibition Assay	In Vitro Inhibition of Tyrosine Kinases using a 10-point Titration Curve.
8419	1	Patch Clamp/Inhibition Assay	Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sakmann B., Sigworth F. J., Pflugers Arch. 391 (2): 85-100 (1981)) on the hybrid cell line ND7/23 (Wood J N, Bevan S J, Coote P R, Dunn P M, Harmar A, Hogan P, Latchman D S, Morrison C, Rougon G, Theveniau M.: "Novel cell lines display properties of nociceptive sensory neurons". Proc. Biol. Sci. Sep 22; 241(1302):187-94 (1990)), that express a mixed population of voltage gated sodium channels. For sodium current recording control bath solution contained (mM): NaCl (80), choline chloride (38), CaCl2 (1.3), MgCl2 (2), KCl (2), CdCl2 (0.4), NiCl2 (0.3), TEA.Cl (20), Hepes (10), glucose (10). Internal pipette solution consists of (mM): CsF (65), CsCl (65), NaCl (10), CaCl2 (1.3), MgCl2 (2), Hepes (10), EGTA (10), MgATP (1). Compounds are dissolved as 20 mM stock solutions in DMSO and then diluted to the final concentration in the external solutions.
8419	2	Inhibition Assay	Test compound is dissolved in DMSO 500&times; the highest final concentration desired in the IC50 assay. 30 ml of deionized water is pre-warmed to 37&deg; C. and all kit components are placed on ice. For each well of column 1, 149.4 &mu;L of NADPH-Cofactor Mix, (187.5 &mu;l of Cofactors, 150 &mu;l of G6PDH, 100 &mu;l of Control Protein and 14.56 ml of 37&deg; C. water) are added. In each well from Column 2 to 12, 100 &mu;l of Cofactor/DMSO mix (40 &mu;L DMSO in 9.96 ml of NADPH-Cofactor Mix) are added. To each well of column 1, 0.6 &mu;l of test compound or positive control are added. 50 &mu;l from each well of column 1 are serially diluted to column 8. The extra 50 &mu;l from column 8 are discarded. The plate is covered and pre-incubated at 37&deg; C. for 10 minutes. Preparation of enzyme/substrate mix: 7.92 ml of pre-warmed deionized water, 75 &mu;l of enzyme, 3 &mu;l of 10 mM AMMC and 2 ml of pre-warmed buffer are mixed. After the pre-incubation time (10'), 100 &mu;l of enzyme/substrate mix to each well from column 1 to 10 are added. The plate is incubated at 37&deg; C. for 30 minutes. After this time, 75 &mu;l of Stop Reagent to each well are added. For blank controls, 100 &mu;l of enzyme/substrate mix are added to columns 11 and 12.
8420	1	HTRF FRET Assay	This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3&times; the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &mu;l) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &mu;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &mu;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
8420	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor compounds, prepared at 3&times; the desired final concentration in 1&times;BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1&times;BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &mu;M for 4 &mu;M for autoBACE-2) prepared in 1&times;BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &mu;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies).
8421	1	Activation Assay	The activity of sGC was evaluated by measuring the amount of a cyclic guanosine monophosphate (cGMP) which is produced by human purified sGC. A test compound was dissolved in DMSO and diluted 20-fold with ultrapure water. 2 &mu;L of the diluted test compound solution (maximum concentration 100 &mu;M), 2 &mu;L of a substrate solution [0.5 &mu;M TEBA, 0.03 &mu;M dithiothreitol, 0.01 &mu;M GTP, 0.04 &mu;M MgCl2, and 0.03 &mu;M sodium nitroprusside (SNP)], and 6 &mu;L of a human enzyme suspension were added to 384-well plates (manufactured by Greiner Bio-One), and incubated at room temperature for one hour. The quantitative determination of cGMP is using HTRF which based on the competition between sample cGMP and fluorescent dye labeled cGMP for binding to a cGMP-specific antibody.
8422	1	TR-FRET Assay	Compounds were screened in the TR-FRET assay with FGFR1 kinase. 5 ng of FGFR1 [Upstate, USA] kinase was used for assay. The compound was incubated with the kinase for 30 minutes at RT. After the incubation, substrate mix [40 nM Ultra light poly GT (Perkin Elmer, USA) and 13 &#956;M ATP (Sigma)] was added. The above reaction was stopped by the addition of 40 mM EDTA after the 30 mM kinase reaction. The Eu-labelled antiphospho-tyrosine antibody [Perkin Elmer, USA] was added at 0.5 nM and the fluorescence emission at 615 nm/665 nm [excitation at 340 nm] was measured. The compounds were initially screened at 100 nM and 1 &#956;M concentrations. The compounds with >50% inhibition at 100 nM of FGFR1 were taken for the full dose response studies. The final DMSO concentration in the assay was 1%.
8423	1	Aurora Kinase Assays	Myc-tagged Aurora A was transfected in Hela cells using Lipofectamine LTX in 24 well plates, and 24 hours after transfection, cells were treated with different concentrations of Example 1 for 2 hours. Cells were then lysed in 2×LDS sample buffer. Proteins from different samples were resolved by 4-12% Bis-Tris NuPage (Invitrogen) gels and analysed by western blotting using P-histone H3 (S10) and P-Aurora A (T288) antibodies. 
8423	3	KINOMEScan Technology Assays	The kinase selectivity was assessed by profiling Example 1 in a 442-kinase panel (386 non-mutant kinases) at a concentration of 1 &#956;M using the KINOMEScan&#153; technology.28 The S(10) selectivity score that is calculated by dividing the number of non-mutant kinases for which >90% competition was observed in the assay (this is measured as <10% of control) by the total number of non-mutant kinases tested, was determined as 0.057, i.e. 22 hits from the 386 non-mutant kinases tested. Aurora-A, -B, and -C were potently inhibited with % control values determined as 3.4%, 1%, and 16% respectively. 
8424	1	[3H] cAMP SPA Assay	The analysis of the activity of the enzyme Phosphodiesterase [3H] cAMP SPA (Perkin Elmer #7090 TRKQ) kit was used for the study of Phosphodiesterase 10. The kit contains:Yttrium scintillation proximity assay (SPA) in beads: yttrium silicate in microspheres resuspended pellet in MiliQ water containing 18 mM zinc sulfate. 10×PDE assay buffer: 500 mM Tris/HCl; 83 mM MgCl2; 17 mM EGTA; pH 7.5. Tracer [3H] cAMP: substrate for enzymatic reaction.The test is based on the preferential binding of linear nucleotides to the SPA beads in the presence of zinc sulfate, with respect to the binding of cyclic nucleotides, which is almost imperceptible. Therefore, in optimum conditions, the product of the enzymatic reaction binds directly to SPA, and the substrate of the enzyme does not.
8425	1	Competitive Binding Assay	For tau imaging probes other than THK-5105, binding to K18-&#916;K280 aggregates was evaluated with a competitive binding test using [18F] THK-5105 as a radioactive competitor. In the binding test, [18F] THK-5105 (at a final concentration of 1.76 nM) and a tested compound (at final concentrations of from 0.1 to 1000 nM) coexisted in the reaction system, to which K18-&#916;K280 aggregates (at a final concentration of 200 nM) was then added and the mixtures were incubated at room temperature for one hour. The radioactivity of [18F] THK-5105 binding to the aggregates was determined in a similar way as in the saturation binding test of THK-5105. The percentage of [18F] THK-5105 bonding in the absence of each tested compound was set to be 100%, and percentages of [18F] THK-5105 bonding at various concentrations of each of the tested compounds were determined.
8426	1	In Vitro Activity Assay	In vitro PLD activity is measured with an exogenous substrate assay as previously described (Brown, H. A. et al. (1993) Cell 75:1137-1144). Briefly, PLD activity was measured as the release of [methyl-3H]choline from [choline-methyl-3H]dipalmitoylphosphatidylcholine. PLD enzyme (PLD1=3 nM, or PLD2=15 nM) is reconstituted with phospholipid vesicle substrates. Lipid solutions were dried and resuspended, and small unilamellar vesicles were prepared by bath sonication. All assays were performed at 37° C. with agitation for 30 min. Reactions were stopped by addition of trichloroacetic acid and bovine serum albumin. Free [methyl-3H]choline was separated from precipitated lipids and proteins by centrifugation and analyzed by liquid scintillation counting. 
8427	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8427	2	In Vitro Assay	Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX ) at a concentration of 0.00008-0.0004 M.
8428	1	[3H]-Gabapentin Binding Assay	A test compound (20 &mu;L) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buffer [20 &mu;L (final concentration 20 nmol/L)], and the rat cerebral cortex membrane fraction (60 &mu;L; 12 &mu;g membrane fraction) obtained in the (1) above were added to each well of a 96-well round-bottom plate. After being sufficiently mixed, these were allowed to react at room temperature for 1 hour. After the reaction, the reaction sample was suction filtered using a filter plate with 50 &mu;L/well of 0.3 vol % polyethyleneimine added, and a cell harvester. The filter was then washed with ice-cooled Wash buffer (100 mmol/L NaCl, 0.1 w/v % BSA). After being washed, the filter plate was dried, and a scintillation cocktail (MicroScint-20, purchased from PerkinElmer) was added (50 &mu;L/well), and the radioactivity on the filter was measured. The radioactivity obtained in the absence of the test compound was measured as total binding amount, and the radioactivity obtained by addition of an unlabeled gabapentin (final concentration 100 mmol/L) as a test compound was measured as non-specific binding amount.
8429	1	Radioligand Binding Assay	Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elmer) and WGA SPA beads (wheat germ agglutinin scintillation proximity assay) beads (Amersham). The assay was performed in 96-well Opti-Plates (Packard). Each reaction contained 50 &#956;l rhesus H3 membranes (20-30 &#956;g total protein), 50 &#956;l WGA SPA beads (0.1 &#956;g) and 50 &#956;l of 83 Ci/mmol [3H]-Methylhistamine (final concentration 2 nM) and 50 &#956;l of tested compound. The compounds of this invention and/or vehicle were diluted with binding buffer from 10 mM DMSO stocks. Assay plates were sealed with TopSeal (Perkin Elmer) and mixed on shaker (25° C., 1 hour). Assay plates were read on TopCount scintillation counter (Packard). 
8415	1	Fluorescence Biochemical Assay	The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and &#945;-ketoglutarate (&#945;-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R (&#8722;)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 &#956;L and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 &#956;M NADPH and 100 &#956;M &#945;-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 &#956;M. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM.
8415	2	LC-MS Detection of 2-HG Assay	The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction volume of 30 &mu;L and the following assay buffer conditions: 50 mM HEPES pH 7.4, 10 mM MgCl2, 50 mM KCl, 1 mM DTT, 0.02% BSA, 5 uM NADPH and 100 uM alpha-KG. The final reaction mixture contained 3.3% DMSO and inhibitors with concentrations ranging 0.02-50 &mu;M. The IDH1 enzyme was used at a final concentration of 0.25 nM. Following 45 minutes incubation, the reaction mixtures were quenched by the addition of 10 &mu;L of 16% formic acid containing 800 nM of 5-carbon labeled 13C-2-HG). The protein was then precipitated by the addition of 2.5 volumes of acetonitrile followed by centrifugation (3000&times;g, minutes). The concentration of 2-HG in the resulting supernatants was measured by LC-MS (see below). LC-MS method. Reaction mixture supernatants were submitted to chromatographic separation on a BiobasicAX column (2.1 mm&times;20 mm, 5 &mu;m particle, Thermo Scientific Inc.). The chromatographic mobile phases were A) 25 mM ammonium biocarbonate and B) acetonitrile (0.1% ammonium hydroxide). Nicotinamide was eluted at 1 ml/min using a 85-5% B gradient over 0.9 minutes (Agilent 1200SL LC system, Thermofisher LX-4 autosampler) and analyzed by multiple reaction monitoring (MRM) on a API4000 QTrap mass spectrometer (ABSciex, Framingham, Mass.) in the positive electrospray ionization (ESI+) mode. The mass transition for 2-HG and 13C-2-HG were 147&rarr;129 and 152&rarr;134, respectively.
8416	1	Radioligand Binding Assay	Protocol 1: The assay was conducted following the literature reference Meyer E. M., et al., Analysis of 3-(4-Hydroxy, 2-Methoxybenzylidene) Anabaseine Selectivity and Activity at Human and Rat Alpha-7 Nicotinic Receptors, J. Pharmacol. Exp. Ther., 287: 918-925, 1998. The assay was conducted using the following materials: receptor source: rat brain, radioligand: [125I] &alpha;-Bungarotoxin (2200 Ci/mmol) with a final concentration of 1 nM, non-specific determinant: Methyllycaconitine (MLA) [1 &mu;M], reference compound: Methyllycaconitine (MLA), and positive control: Methyllycaconitine (MLA). Incubation Conditions: Reactions were carried out in 20 mM HEPES (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 2.5 mM CaCl2 and 1.2 mM MgSO4 at 37&deg; C. for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined by liquid scintillation counting and compared to control values in order to ascertain any interactions of test compound with the nicotinic, ganglionic binding site.
8416	2	Alpha-Bungarotoxin Binding Assay	Protocol 2: Studies were carried out using rat brain P2 membrane. All membrane was obtained from male Sprague-Dawley (SD) rats and collected on phosphate buffer. Protein concentration was determined using the bicinchoninic acid (BCA) protein assay reagent. In an &alpha;-Bungarotoxin binding assay, membrane was diluted with assay buffer (50 mM potassium phosphate, 1 mM pH 8.0 EDTA, 0.1 mM PMSF, 0.1% BSA). Test compounds were prepared in 100% DMSO solution. The starting concentration of the test compound was 3 &mu;M, 8 points in 3 fold dilution. Assays were performed in a total volume of 200 &mu;L containing [3H] &alpha;-Bungarotoxin (final concentration 0.4 nM), membrane suspension (80 &mu;L containing 150 &mu;g of membrane protein) and 20 &mu;L of test compound. Non-specific binding (NSB) was determined with 1 &mu;M &alpha;-Bungarotoxin. After 3 hours incubation (37&deg; C.), the assay solution was transferred to a GF/B plate (Millipore). The assay was terminated by adding 100 &mu;L ice-cold PBS dilution and then rapidly filtering over glass fiber filters presoaked in 0.5% polyethylenimine. The filters were washed 4 times with 200 &mu;L/well of ice-cold PBS. They were then were transferred to the reading plate, and 250 &mu;L of microscine 40 was added. The radioactivity trapped by the filters was determined by liquid scintillation counting MicroBeta.
8416	4	Cytochrome P450 Inhibition	Protocol 2: Stock solution for NCEs (test articles) and standard inhibitors were prepared at a concentration of 20 mM in DMSO. Stock solutions were diluted with DMSO to get substocks which were further diluted 10-fold in 80:20 MeCN:water to obtain intermediate substocks. Working stocks were prepared by diluting the intermediate substocks 50-fold in buffer. 
8416	3	Cytochrome P450 Inhibition	Protocol 1: Studies were carried out in human liver microsomes. Human liver microsomes were purchased from BD Gentest. DMSO stocks were prepared for the test compounds. Aliquots of the DMSO solutions were diluted 1:3 by acetonitrile:ACN mixture (v/v: 40:60) to "400&times;" intermediate solutions, then further diluted by liver microsomes/buffer to "2&times;" intermediate solutions. "2&times;" intermediate solutions were mixed with "2&times;" NADPH/substrate solutions, which had been pre-warmed to 37&deg; C. (final test compound concentrations were 10 &mu;M, 3.3 &mu;M, 1.1 &mu;M, 0.37 &mu;M, 0.122 &mu;M, 0.041 &mu;M, 0.0136 &mu;M, and 0 &mu;M). The plates were kept in a 37&deg; C. water bath for the duration of the experiment. At the end of incubation (5 minutes for 3A4; 45 minutes for 2C19; 10 minutes for 1A2, 2C9, 2D6), 120 &mu;L of acetonitrile was added into corresponding wells. After the final time point was sampled, the plates were shaken at a vibrator (IKA, MTS 2/4) for 10 mM (600 rpm/min) and then centrifuged at 5594 g for 15 mM (Thermo Multifuge&times;3R). Aliquots of the supernatant were removed, diluted 1:1 into distilled water, and analyzed by LC-MS/MS. The peak area response ratio to internal standard (PARR) of the compounds at 10 &mu;M, 3.3 &mu;M, 1.1 &mu;M, 0.37 &mu;M, 0.122 &mu;M, 0.041 &mu;M, and 0.0136 &mu;M was compared to the PARR at 0 &mu;M to determine the percent of metabolite generation from substrate at each test compound concentration.
8416	5	Inhibition Assay	hERG study was conducted with an automated patch clamp machine, Qpatch-48HT (Sophion Biosciences, Denmark). Cultured CHO cells stably expressing hERG channels (provided by Sophion Biosciences, Denmark) were harvested from culture flasks of 70-90% cell confluence rate and prepared as cell suspension with a cell density of 3-8&timse;10^6 cells/mL in serum-free media (CHO-S-SFM II, cat#12052 Invitrogen; 25 mM HEPES). Cells in such condition were placed into a Qpatch cell stir chamber and used within 4 hours. For each run, cells were first spun down by the built-in Qpatch centrifuge and re-suspended in an extracellular solution (in mM, 2 CaCl2, 1 MgCl2, 4 KCl, 145 NaCl, 10 Glucose, 10 HEPES, pH 7.4, osmolarity ~305 mOsm). Qplate-48 that holds one cell in each of its 48 channels for the later voltage-clamped assay were primed with the extracellular solution and intracellular solution (in mM, 5.4 CaCl2, 1.75 MgCl2, 120 KCl, 10 HEPES, 5 EGTA, 4 NaATP, pH 7.25, Osmolarity ~280-295 mOsm). Cells were dispatched by Qpatch robotic dispensing guns into each Qplate channel and went through the process of giga-ohm sealing and whole cell configuration. Whole-cell recordings were performed in voltage-clamp mode at a holding potential of &minus;80 mV. The hERG current was activated by depolarizing at +20 mV for 5 sec, after which the current was taken back to &minus;50 mV for 5 sec to remove the inactivation and observe the deactivating tail current. The maximum amount of tail current size was used to determine the hERG current amplitude. The above voltage protocol was applied to the cells every 15 sec throughout the whole procedure. External solution containing 0.1% DMSO (vehicle) was applied to the cells to establish the baseline. Compound solution was added, and the cells were kept in the test solution until the compound's effect reached a steady state or for a maximum of 4 min. For dose response assays (0.1, 0.3, 1, 3, 10 and 30 &mu;M), the compound was applied to the cells accumulatively from low to high concentrations. Washout with extracellular solution was performed after compound testing. Positive control cisapride 0.1 &mu;M was used on each cell after compound testing to ensure the normal response and the good quality of the cell.
8430	1	Binding Affinity Assay	Human-cloned dopamine D2L receptors stably expressed in C6 rat glioma cells (kindly donated by Professor Roberto Maggio, Universit&agrave; di L'Aquila, Italy) were radiolabeled with [3H]spiroperidol according to Scarselli et al. with minor modifications [Scarselli et al., J. Biol. Chem., 276:30308-14]. The incubation buffer (120mM NaCl, 5.0mM KCl, 5.0mM MgCl2, 1mM EDTA, 50mM Tris-HCl, pH 7.4) contained 100 &mu;g of dopamine D2L receptor membranes, 0.30-0.50nM [3H]spiroperidol (Kd = 0.093 nM) and six to nine concentrations of drug solution in a final volume of 500 &mu;L. The samples were incubated for 120 min at 25 &deg;C, then the incubation was stopped by rapid filtration through Whatman GF/C glass fiber filters (presoaked in 0.5% polyethylenimine for 60 min). The filters were washed three times in 1mL of ice-cold 50mM Tris, 0.9% NaCl, pH 7.4. Nonspecific binding was determined in the presence of 10 &mu;M haloperidol. The radioactivity bound to the filters was measured by liquid scintillation using a LS6500 Multi-Purpose scintillation Counter, Beckman.
8430	2	Binding Affinity Assay	Human-cloned 5-HT1A serotonin receptors stably expressed in HEK293-EBNA cells (Perkin-Elmer, Waltham, MA) were radiolabeled with 1.0nM [3H]-8-OH-DPAT [Fargin et al., J. Biol. Chem., 264:14848-42]. Samples containing 32 &mu;g of membrane protein, different concentrations of each compound ranging from 0.1nM to 10 &mu;M were incubated in a final volume of 500 &mu;L of 50mM Tris-HCl pH 7.4, 5mM MgSO4for 120 min at 37 &deg;C. After this incubation time, samples were filtered through Whatman GF/C glass microfiber filters presoaked in polyethylenimine 0.5% for at least 30 min prior to use. The filters were washed twice with 1mL of ice-cold buffer (50mM Tris-HCl, pH 7.4). Nonspecific binding was determined in the presence of 10 &mu;M 5-HT. The radioactivity bound to the filters was measured by liquid scintillation using the LS6500 Multi-Purpose scintillation Counter, Beckman.
8431	1	Turbidometric Assay	Briefly, Bc-SMase (50 ng/ml) was treated at 37 &deg;C for 60 min with various compounds that were solubilized in dimethylacetoamide. The reaction mixture was incubated at 37 &deg;C for 5 h with 1.0mM SM from bovine brain (Nacalai, Kyoto, Japan) that was solubilized in a solution containing 20mM Tris-HCl (pH 7.5), 1.0% sodium cholate, and 1mM MgCl2. The turbidity of the reaction mixture was analysed by absorption spectrometer at 620 nm.
8432	1	CA Inhibition Assay	An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 20mMHepes (pH 7.5) as buffer, and 20mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (0.1mM) were prepared in distilled-deionized water and dilutions up to 0.01nM were done thereafter with distilled deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min to 72 h at room temperature (15 min) or 4 &deg;C (all other incubation times) prior to assay, in order to allow for the formation of the E-I complex or for the eventual active site mediated hydrolysis of the inhibitor.
8433	1	In Vitro Kinase Assay	Each test was performed twice in a total reaction volume of 30 &mu;L, containing 6 &mu;g of peptide substrate RRRDDDSDDD (New England Biolabs (UK) Ltd., Herts, UK); 10 units of recombinant human CK2 holoenzyme (New England Biolabs); 50 &mu;M ATP and &gamma;-labeled 32P ATP, diluted to specific activity 100 &mu;Ci/mM; CK2 buffer (20mM Tris-HCl, pH 7.5; 50mM KCl; 10mM MgCl2) and inhibitor in varying concentrations. Incubation time was 20 min at 30 &deg;C. The reaction was stopped by adding an equal volume of 10% o-phosphoric acid and the reaction mixture was loaded onto 20-mm discs of phosphocellulose paper (Whatman plc, Kent, UK). Discs were washed three times with 1% o-phosphoric acid solution, air-dried at room temperature, and counted by the Cherenkov method in a beta-counter (LKB). As negative control an equal volume of DMSO was added to the reaction mixture. Quercetin, a known CK2 inhibitor, was used as an inhibition positive control. The final concentration of quercetin was 0.55 &mu;M (which inhibited CK2 activity by 50%).
8434	1	Enzyme Assay	The assay was performed in a 100 &mu;L final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 100 mM KCl, 3 mM EDTA and 1 mM dithiothreitol, 4% v/v DMSO plus or minus inhibitory compound and 0.75 &mu;g of purified IMPDH II enzyme per well (from 1 mg/mL stock concentration). The final volume of the enzyme stock solution per well was 0.75 &mu;L which was insignificant to cause any change in the final assay buffer composition. The reaction was initiated by the addition of 300 &mu;M of IMP and 500 &mu;M of NAD+ and the assay was allowed to proceed at 37 &deg;C for 50 min before stopping by the addition of 15 mM GMP. The NADH generated was measured by reading the absorbance at 340 nm. At this wavelength, a background of <0.1 optical density (OD) was observed with negligible crosstalk between wells. Molecular Devices Spectramax 384 plus (Molecular Devices, LLC, Sunnyvale, CA) was used for recording the absorbance, which allows for selection of up to six wavelengths at a time for absorbance detection in the UV-vis range (190-1000 nm). Mycophenolic acid (10 &mu;M) used as a positive control and DMSO as a vehicle control.
8435	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of 0.2mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 20 mM Hepes (pH 7.5) as buffer, and 20 mM Na2SO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction [Khalifah et al., J. Biol. Chem., 246:2561-73] for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (0.1 mM) were prepared in distilled deionized water and dilutions up to 0.01nM were done thereafter with distilled-deionized water. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex (GTX3 was incubated also for longer periods, of 1-24 h, but no differences of activity have been detected).
8436	1	CA Inhibition Assay	An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., 246:2561-73]. Phenol red (at a concentration of 0.2 mM) has been used as an indicator, working at the absorbance maximum of 557 nm, with 20 mM Hepes (pH 7.4 for hCA I and II) or with 20 mM Tris (pH 8.4, for ScCA) as buffers, and 20 mM NaClO4 (for maintaining constant the ionic strength), following the initial rates of the CA-catalyzed CO2 hydration reaction for a period of 10-100 s. The CO2 concentrations ranged from 1.7 to 17 mM for the determination of the kinetic parameters and inhibition constants. For each inhibitor at least six traces of the initial 5%-10% of the reaction have been used for determining the initial velocity. The uncatalyzed rates were determined in the same manner and subtracted from the total observed rates. Stock solutions of inhibitor (10 mM) were prepared in distilled-deionized water and dilutions up to 0.001 nM were done thereafter with the assay buffers. Inhibitor and enzyme solutions were preincubated together for 15 min at room temperature prior to assay, in order to allow for the formation of the E-I complex. The concentration of the enzymes in the assays was of 8.0 nM for hCA I, of 5.9nM for hCA II and of 12.5 nM for ScCA, respectively.
8437	1	Stopped Flow CO2 Hydration Assay	Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 &deg;C.
8438	1	Cathepsin Activity Assay	A microplate-based screening procedure was used to study the effect of inhibition of re-Cat S, re-Cat L and re-Cat K on several compounds. The assays were performed in quadruplicates at 25 &deg;C in a buffer containing 50 mM MES, pH 6.5, 2.5 mM EDTA and 1 mM DTT for re-Cat S, or 100 mM NaOAc, pH 5.5, 1 mM DTT and 2 mM EDTA for re-Cat L, or 50 mM MES, pH 5.5, 5 mM DTT and 2.5 mM EDTA for re-Cat K. Each of tested compounds at 100 nM was incubated with 50 nM re-Cat S, 31.25 pM re-Cat L or 10 nM re-Cat K at 37 &deg;C for 10 min before initiating the reaction with the addition of 5 &mu;M relevant substrate (Z-Phe-Arg-AMC for Cat L and Cat K, and Z-Val-Val-Arg-AMC for Cat S), respectively [Ward et al., J. Med. Chem., 45:5471-82]. Reactions in microplates were kept at 37 &deg;C for another 30 min and then to collect the fluorescent signals from each well in microplates. E64 and 1% DMSO were applied as positive and solvent control, respectively. Fluorimetric assays were performed at 37 &deg;C on a Perkin Elmer LS55 fluorescence spectrophotometer (Waltham, MA) with excitation at 370 nm and emission at 460 nm wavelengths. The inhibitory ability of a tested compound was determined by decreased fluorescence compared to DMSO control.
8439	1	CM Assay	Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM &beta;-mercaptoethanol were incubated at 37 &deg;C for 5 min. The reaction was started with 5 pmol of MTB CM in a 10-&mu;l volume (i.e. 185 ng of MTB CM equivalent toa 12.5nM final concentration of the dimer based on the molecular mass of 36 948 Da). The reaction was allowed to proceed at 37 &deg;C and was terminated after 1 min to 5 min with 0.4 ml of 1N HCl. After a further incubation at 37 &deg;C for 10 min to convert prephenate, which is formed in the enzymatic reaction, tophenylpyruvate, 0.8 ml of 2.5N NaOH was added. The absorbance of the phenylpyruvate chromophore was read at 320 nm. We set up a blank with no enzyme for every reaction to account for the non-enzymatic conversion of chorismate to prephenate and added the enzyme after NaOH addition. The A320 for the blank varied from 0.1 to 0.3, depending on the concentration of chorismate and duration of the reaction. Each reaction was carried out in triplicates.
8440	1	Functional Assay	The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensitive fluorescent dye. The changes in fluorescent signal were monitored by a fluorescence plate reader, either a FLIPR (Molecular Devices) or FDSS (Hamamatsu). Increases in intracellular Ca2+ concentration were readily detected upon activation with icilin.At 24 hrs prior to assay, HEK293 cells stably expressing canine TRPM8 were seeded in culture medium in black wall, clear-base poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) and grown overnight in 5% CO2 at 37&deg; C. On assay day, growth media was removed and cells were loaded with Calcium 3 Dye (Molecular Devices) for 35 min at 37&deg; C., under 5% CO2 and then for 25 min at room temperature and atmosphere. Subsequently, cells were tested for agonist-induced increases in intracellular Ca2+ levels using FLIPR or FDSS. Cells were challenged with a compound of the Formula (I) (at varying concentrations) and intracellular Ca2+ was measured for 5 min prior to the addition of icilin to all wells to achieve a final concentration that produces approximately an 80% maximal response. EC50 or IC50 values for compounds of the present invention were determined from eight-point dose-response studies.
8440	2	Functional Assay	For functional expression of TRPM8, the full-length cDNA encoding human and rat TRPM8 are subcloned into pCI-NEO mammalian expression vectors. The expression constructs are transiently transfected into HEK293 cells according to the FuGENE 6 Transfection Reagent (ROCHE) instructions. Within twenty-four hours, transiently transfected cells are harvested and either seeded directly into assay plate or cryopreserved for future usage.Transfected cells may be either cryopreserved or freshly transfected and plated into clearbase poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) at a density of 10,000 cells per well in culture medium and grown overnight. The following day, all medium is removed and the cells are incubated with 52 uL of 0.5x Calcium 3 Dye (Molecular Devices) prepared in complete assay buffer containing 20 mM HEPES, 0.1% BSA, and 2.5 mM probenecid at 37 ° C. for thirty five minutes. The cells are then incubated for an additional fifteen minutes at room temperature before initiating experiments. Following incubation, plates are inserted into a FDSS instrument, where cells were challenged with compounds of the formula (I) (at varying concentrations) and intracellular Ca2+ are measured for 5 min prior to the addition of icilin at the EC80concentration IC50 values for compounds of the formula (I) are determined from eight point dose-response studies.
8440	3	Patch Clamp Assay	For patch clamp experiments, HEK293 cells are stably transfected with canine TRPM8 and cultured in DMEM supplemented with 10% fetal bovine serum, 100 units/ml penicillin, 100 &#956;g/ml streptomycin and 1 mg/ml G418. Cells are maintained at 37° C. and in 5% CO2.The extracellular solution contains (in mM): NaCl, 132; EGTA, 1; KCl, 5.4; MgCl2, 0.8; HEPES, 10; glucose, 10; pH=7.4. Recordings are performed using the conventional whole-cell patch clamp technique, 1-2 days after plating cells onto glass coverslips at densities appropriate for single cell recording. Currents are amplified by a patch clamp amplifier and filtered at 2 kHz (Axopatch 200B, Molecular Devices, Union City, Calif.). Menthol (100 &#956;M) is applied to the cell at 0.5 ml/min via a gravity-fed perfusion system. Recordings involving menthol activation are performed at 22° C.
8441	1	Kinase Binding Assay	PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO.PIM reactions were carried out in a final volume of 10 uL per well in a 384-well plate. A standard enzymatic reaction, initiated by the addition of 5 uL 2 ATP and test compound to 5 uL of 2x enzyme and FAM-peptide, contained 20 uM PIM1, 50 uM PIM2, or 55 uM PIM3, 1 uM FAM-peptide, and 10 uM ATP, in Reaction Buffer. After 90 minutes of incubation at room temperature, the phosphorylation reaction was stopped by the addition of 10 uL Termination Buffer. The product and substrate in each independent reaction were separated on a 12-sipper microfluidic chip (Caliper Life Sciences, Hopkinton, Mass.) run on a Caliper LC3000 (Caliper Life Sciences, Hopkinton, Mass.). The separation of product and substrate was optimized by choosing voltages and pressure using Caliper's Optimizer software (Hopkinton, Mass.). The separation conditions used a downstream voltage of -500V, an upstream voltage of -2150V, and a screening pressure of -1.2 psi. The product and substrate fluorophore were excited at 488 nm and detected at 530 nm. Substrate conversion was calculated from the electropherogram using HTS Well Analyzer software (Caliper Life Sciences, Hopkinton, Mass.). Ki values for the test compound were calculated.
8441	2	In Vitro Cell Proliferation Potency Assay	BaF3, a murine interleukin-3 dependent pro-B cell line, parental cells, BaF3 PIM1 cells, BaF3 PIM2 cells, and MM1.S (multiple myeloma) cells were seeded at 2 k/well, 5 k/well, 5 k/well, and 10 k/well respectively, in a 384-well plate, at 45 &#956;L/well. Test compound was added at 5 &#956;L/well. BaF3 cells (parental and transfected) were incubated overnight, while MM1.S cells were incubated for 72 hours at 37° C., 5% CO2. CELL TITER GLO Reagent (Promega) was added at 50 &#956;L/well, the plates were incubated for 30 minutes, and their luminescence read on an HT Analyst. 
8442	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 ul of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 ul in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined um value of 8 uM for the QSY7-APPswe-Eu substrate at BACE1.
8442	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1 BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1xBACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 us delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation.
8443	1	Glucokinase-Activating Assay	To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay was carried out at 30&deg; C. in a 96-well plate. In the plate was distributed 69 ul each of assay buffer (25 mM Hepes Buffer: pH=7.2, 2 mM MgCl2, 1 mM ATP, 0.5 mM TNAD, 1 mM dithiothreitol), to which was added 1 ul of a DMSO solution of the compound or DMSO as control. Then, 20 ul of pre-ice-cooled enzyme mixture (FLAG-GK, 20 U/ml G6PDH) was distributed thereto, to which was added 10 ul of 25 mM glucose as substrate to initiate the reaction (final glucose concentration=2.5 mM). After starting the reaction, the absorbance at 405 nm was measured every 30 seconds for 10 minutes to evaluate the compound based on the initial increase for 5 minutes. FLAG-GK was added so that the increase of absorbance after 5 minutes fell between 0.05 to 0.1 in the presence of 1% DMSO. The OD values of the respective compounds were measured in the respective concentrations, wherein the OD value of DMSO as control is regarded as 100%. From the OD values at the respective concentrations, Emax (%, 2.5 mM Glu) and EC50 (nM, 2.5 mM Glu) were calculated and used as indicators of the GK activation capability of the compounds. According to the above assay, the GK activation capability of the exemplified compounds of the present invention was determined. The following table shows the results. Where different enantiomers of the same compound were tested, two numbers are provided. Where 3 numbers are provided, for example, Ex. #30, data for the racemic form is also shown.
8444	2	Fluorescence Polarization Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of N-His-Tb-BIR3(241-356, XIAP), fluoresceinated modified SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes and fluorescence polarization of the reaction was detected on the LJL Plate Reader Inhibition data were calculated from mP values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 130 nM N-His-Tb-BIR3(241-356, XIAP), 1.4 nM fluoresceinated modified SMAC peptide, and 1% DMSO. 
8444	1	AlphaScreen Assay	Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 &#956;L prepared from additions of His-BIR2 (124-240/C202A/C213G), Biotinylated SMAC peptide, and test compounds in assay buffer consisting of 25 mM Hepes, 100 mM NaCl, 0.1% BSA, and 5 mM CaCl2. The reaction was incubated at room temperature for 60 minutes. After 60 minutes, 2.5 &#956;L of AlphaScreen detection reagent (Perkin Elmer) was added to the reaction mixture and incubated at room temperature in the dark for 120 minutes. The AlphaScreen signal generated by the reaction was detected on the Envision Plate Reader. Inhibition data were calculated from an AlphaScreen signal generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 50 nM His-BIR2 (124-240/C202A/C213G), 50 nM Biotinylated SMAC peptide, 4 &#956;g/mL AlphaScreen detection reagents, and 0.5% DMSO.
8445	2	Inhibition Assay	To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present invention, a radiolabeled nucleotide incorporation assay was used. This assay is a modified version of the assay described in International Publication No. WO2002/057287. Briefly, 50 &#956;L reactions containing 20 mM HEPES (pH 7.3); 7.5 mM DTT; 20 units/ml RNasIN; 1 &#956;M each of ATP, GTP, UTP and CTP; 20 &#956;Ci/mL [33P]-CTP; 10 mM MgCl; 60 mM NaCl; 100 &#956;g/ml BSA; 0.021 &#956;M DCoH heteropolymer RNA template; and 5 nM NS5B (1b-BK&#916;55) enzyme were incubated at room temperature for 1 hour. The assay was then terminated by the addition of 500 mM EDTA (50 &#956;L). The reaction mixture was transferred to a Millipore DE81 filter plate and the incorporation of labeled CTP is determined using Packard TopCount. 
8446	1	TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease: 10 nM Eu-streptavidin (Perkin-Elmer Catalog #AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog #STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog #PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10x concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10x stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14&deg; C.
8447	1	G402-Based Assay	Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specifically we developed stable G-402 cells expressing ectopically human CYP11B1, human CYP11B2, human CYP11A1, cynmolgus CYP11B1 or cynomolgus CYP11B2 enzyme activity. Importantly the identified cell line G-402 expresses co-factors (adrenodoxin and adrenodoxin reductase) important for the activity of the CYP11 family and no relevant enzyme activity of the CYP11 family (in comparison to H295R cells) was detected in these cells. Therefore the G-402 cell line is uniquely suited as a host cell for the ectopic expression of enzymes from the CYP11 family.Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
8448	1	PathHunter Beta-Arrestin Assay	Compound 1 was screened for agonist activity against the human CB2 receptor using the DiscoveRx PathHunter &beta;-arrestin assay which measures the &beta;-arrestin binding to the CB2 receptor upon its activation. CB2 was cloned into the pCMV-PK vector (DiscoveRx, Fremont, Calif.; catalog #93-0167) and transfected into the CHO-K1 EA-Arrestin parental cell line (DiscoveRx, Fremont, Calif.; catalog #93-0164). CHO-K1 positive clones stably expressing the CB2-ProLink fusion protein were identified by their responses to the CB2 agonist CP55,940. Clone #61 was chosen for its big agonist window and homogenous expression as detected by anti-HA flow cytometry.
8449	1	LanthaScreen Kinase Assay	The BRAFV600E enzymatic assay was performed using a LanthaScreen kinase assay kit purchased from Life Technologies (Grand Island, N.Y.). The assay was conducted according to the procedure provided in the assay kit. In brief, the enzyme reaction was carried out in the kinase reaction buffer containing BRAFV600E (20 ng/mL), ATP (2 uM), Fluorescein-MAP2K1 inactive substrate (0.4 uM), HEPES (50 mM, pH 7.5), 0.01% BRIJ-35, MgCl2 (10 mM), and EGTA (1 mM) in the presence or absence of the tested compounds at various concentrations in a 384-well plate at room temperature (22&plusmn;1&deg; C.) for 60 minutes. The final reaction volume for each reaction was 10 ul. The reaction was stopped by addition of 10 ul of TR-FRET dilution buffer kinase supplemented with kinase quench buffer (10 mM final) and Tb-anti-pMAP2K1 (2 nM final). The plate was further incubated at room temperature for another 60 minutes, and the fluorescent signals were read on Victor 5 (Perkin Elmer) with excitation at 340 nM and emission at 495 and 520 nM. The assay signal was determined as a ratio of FRET-specific signal measured with emission filter at 520 nM to that of the signal measured with Tb-specific emission filter at 495 nM. IC50 value was calculated using appropriate programs in GraphPad Prism by plotting the logarithm of the concentration versus percent inhibition.
8450	1	Homogeneous Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay. The synthetic peptide containing amino acids 1-18 of histone H4 was acetylated at lysine 5, 8, 12, 16 and conjugated to biotin (SGRGACKGGACKGLGACKGGAACKRH-GSGSK-biotin[SEQ ID NO:1]) was purchased from Millipore. BRD4-1 and BRD4-2 were expressed and purified from Escherichia coli as N-terminal His6-tagged proteins. An XL665 labeled anti-His antibody (Cisbio) was used to specifically bind BRD4 and a cryptate labeled streptavidin protein was used because it specifically recognized the biotinylated H4 peptide. Binding of BRD4 to the peptide resulted in an increase in FRET signal whereas disruption of this protein-peptide interaction with a small molecule inhibitor resulted in a decrease in FRET signal. Assays were performed in 50 mM Hepes (pH 7.5), 150 mM NaCl, 0.1 mg/ml BSA, 0.01% (v/v) Brij, 0.5% (v/v) DMSO and 200 nM H4 peptide at the following concentrations for each BRD4 isoform: 60 nM BRD4-1 and 120 nM BRD4-2. After an assay reaction time of 60 minutes at 25&deg; C., binding was measured with 2 nM crytptate labeled streptavidin and 10 nM anti-His-XL665 antibody. TR-FRET signal was detected on an Envision plate reader (Ex: 320 nm; Em: 615/665 nm; 100 As delay and 200 s read window). Data were normalized based on a positive (2 M I-BET) and negative (DMSO) controls and IC50values were calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations.
8450	2	Amplified Luminescent Proximity Homogeneous Assay (ALPHA)	Binding of the bromodomain BRD4-I to an acetylated histone H4 peptide was measured using a bead-based Amplified Luminescent Proximity Homogeneous Assay (ALPHA). The synthetic peptide containing amino acids 1-18 of histone H4 was acetylated at lysine 5, 8, 12, 16 and conjugated to biotin (SGRGACKGGACKGLGACKGGAACKRH-GSGSK-biotin[SEQ ID NO:1]) was purchased from Millipore. BRD4-I was expressed and purified from Escherichia coli as an N-terminal His6-tagged protein. Nickel-Chelate ALPHA acceptor beads (Perkin Elmer) were used to specifically bind BRD4-1 and ALPHA streptavidin donor beads (Perkin Elmer) were used because they specifically recognized the biotinylated H4 peptide. Binding of BRD4-1 to the peptide resulted in proximity of the donor and acceptor beads which leads to an increase in ALPHA signal whereas disruption of this protein-peptide interaction with a small molecule inhibitor resulted in a decrease in ALPHA signal. Assays were performed in 50 mM Hepes (pH 7.5), 150 mM NaCl, 0.1 mg/ml BSA, 0.01% (v/v) Brij, 0.5% (v/v) DMSO, 200 nM H4 peptide and 15 nM of BRD4-1 protein. After an assay reaction time of 60 minutes at 25&deg; C., binding was measured with 20 ug/ml streptavidin donor beads and 20 ug/ml nickle-chelate acceptor beads. ALPHA signal was detected on an Envision plate reader (Ex: 320 nm; Em: 570 nm; Ex time: 180 ms). Data were normalized based on a positive (2 uM I-BET) and negative (DMSO) controls and IC50 values were calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations.
8450	3	Ligand KI Assay	The labeled ligand specifically binds BRD4-1 and BRD4-2 and can be displaced by a small molecule inhibitor that shares a similar or overlapping binding site. BRD4-I and BRD4-2 were expressed and purified from Escherichia coli as N-terminal His6, tagged proteins. A Eu-cryptate labeled anti-His antibody (Perkin Elmer) was used to specifically bind BRD4. Binding of BRD4 to the labeled probe/ligand resulted in an increase in FRET signal whereas displacement of this labeled ligand from BRD4 with a small molecule inhibitor resulted in a decrease in FRET signal. Assays were performed in 50 mM Hepes (pH 7.5), 150 mM NaCl, 0.1 mg/ml BSA, 0.01% (v/v) Brij, 0.5% (v/v) DMSO and 10 nM labeled ligand at the following concentrations for each BRD4 isoform: 2 nM BRD4-1 and 0.5 nM BRD4-2. After an assay reaction time of 60 minutes at 25&deg; C., binding was measured with 2 nM Eu-cryptate labeled anti-His antibody. TR-FRET signal was detected on an Envision plate reader (Ex: 320 nm; Em: 615/665 nm; 100 us delay and 200 us read window). Data were normalized based on a positive (2 uM I-BET) and negative (DMSO) controls and IC50 values were calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. The IC50 values were converted to Ki values (dissociation constant for BRD4-inhibitor complex) using the Cheng and Prusoff equation for a competitive inhibitor mode of action.
8451	1	Inhibition Activity Assay	On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 g/mL streptomycin (Invitrogen))) and plated at a density of 2.4x104 cells/40 uL/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 uL/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-fold concentration (DMSO concentration: 1%). To the plate where cells were plated was added the present compound at 5 L/well and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37&deg; C. for 30 minutes. For a control and a blank, the assay medium containing 1% DMSO was added at 5 L/well in place of the solution of the present compound. Subsequently the assay medium containing NGF (Mouse 2.5s, Natural, Invitrogen) was added to the plate at 5 L/well (final concentration of NGF: 50 ng/ml) and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37&deg; C. for 5 hours. For the blank group, the assay medium was added in place of NGF at 5 L/well. A reporter assay detection reagent (10 L/well) was added to the plate which was then incubated in the dark at room temperature for 120 minutes. The reporter assay detection reagent was prepared from LiveBLAzer -FRET B/G Loading Kit (Invitrogen). On the Analyst GT (Molecular Devices Japan, K.K.) the wells were irradiated with excitation light at 405 nm and the fluorescence intensities at 460 nm and 530 nm were measured.
8452	1	Radiolabel Binding Assay	A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4) or DMSO according to its solubility. A 1-mg/ml stock of the reference compound 5-hydroxytryptamine (5-HT) is also prepared as a positive control. Eleven dilutions (5x assay concentration) of the compound of the disclosure and 5-HT are prepared in the Assay Buffer by serial dilution to yield final corresponding assay concentrations ranging from 10 uM to 10 uM.A stock concentration of 5 nM [3H]LSD (lysergic acid diethyl amide) is prepared in Assay Buffer. Aliquots (50 ul) of radioligand are dispensed into the wells of a 96-well plate containing 100 ul of Assay Buffer. Duplicate 50-ul aliquots of the compound of the disclosure test and 5-HT positive control reference compound serial dilutions are added. Membrane fractions of cells expressing recombinant 5HT2B receptors (50 uL) are dispensed into each well. The membranes are prepared from stably transfected c ell lines expressing 5HT2B receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing the monolayers in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000xg, decanting the supernatant and storing at -80&deg; C. The membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before use in the assay.
8453	1	Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 uM final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 uM (HDAC1), 10 uM (HDAC2), 17 uM (HDAC3) and 14 uM (HDAC6).Five ul of compounds and 20 ul of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five ul of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated. The IC50 was determined using Graph Pad Prism by a four parameter curve fit.
8454	1	In Vitro Assay	Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration.
8455	1	Kinase HotSpot Assay	Compounds were profiled for FGFR inhibition activity at Reaction Biology Corporation (Malvern, Pa.) with their Kinase HotSpot assay. See, Anastassiadis et al., 2011, Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nat Biotechnol 29, 1039-1045.Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 uM, FGFR1 substrate); and Poly [E,Y]4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology (Labcyte Echo 550, Sunnyvale, Calif.) (see, Olechno et al., 2006, Improving IC50 results with acoustic droplet ejection. JALA 11, 240-246) and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, a mixture of ATP (Sigma-Aldrich) and 33P-&gamma;-ATP (PerkinElmer) was added to a final concentration of 10 uM to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature and then spotted onto Whatman P81 ion exchange filter paper. Unbound phosphate was removed by extensively washing filters in 0.75% phosphoric acid. See, Anastassiadis et al., 2011, Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nat Biotechnol 29, 1039-1045.
8455	2	Biochemical Kinase Assay 	Recombinant FGFR1 (2.5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 &#956;M, FGFR1 substrate); Poly [E,Y]4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, 33P-&#947;-ATP was added at a final concentration of 10 &#956;M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature. 
8456	1	Scintillation Proximity Binding Assay	Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer's recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 ul per well in SPA buffer (IX PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7 Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 uM of unlabeled retinol. The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4&deg; C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
8456	2	TR-FRET Assay	TR-FRET assay for retinol-induced RBP4-TTR interaction Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7). Bacterially expressed MBP-RBP4 and untagged TTR were used in this assay. For the use in the TR-FRET assay the maltose binding protein (MBP)-tagged human RBP4 fragment (amino acids 19-201) was expressed in the Gold(DE3)pLysS E. coli strain (Stratagene) using the pMAL-c4x vector. Following cell lysis, recombinant RBP4 was purified from the soluble fraction using the ACTA FPLC system (GE Healthcare) equipped with the 5-ml the MBP Trap HP column. Human untagged TTR was purchased from Calbiochem. Untagged TTR was labeled directly with Eu3+ Cryptate-NHS using the HTRF Cryptate Labeling kit from CisBio following the manufacturer's recommendations. HTRF assay was performed in white low volume 384 well plates (Greiner-Bio) in a final assay volume of 16 ul per well. The reaction buffer contained 10 mM Tris-HCl pH 7.5, 1 mM DTT, 0.05% NP-40, 0.05% Prionex, 6% glycerol, and 400 mM KF. Each reaction contained 60 nM MBP-RBP4 and 2 nM TTR-Eu along with 26.7 nM of anti-MBP antibody conjugated with d2 (Cisbio). Titration of test compounds in this assay was conducted in the presence of 1 uM retinol. All reactions were assembled in the dark under dim red light and incubated overnight at +4&deg; C. wrapped in aluminum foil. TR-FRET signal was measured in the SpectraMax M5e Multimode Plate Reader (Molecular Device). Fluorescence was excited at 337 nm and two readings per well were taken: Reading 1 for time-gated energy transfer from Eu(K) to d2 (337 nm excitation, 668 nm emission, counting delay 75 microseconds, counting window 100 microseconds) and Reading 2 for Eu(K) time-gated fluorescence (337 nm excitation, 620 nm emission, counting delay 400 microseconds, counting window 400 microseconds).
8457	1	Radioligand Binding Assay	The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer constituted by the following components: 25 mM Hepes (pH=7.4), 5 mM MgCl2, 1 mM CaCl2, 100 mM NaCl, supplemented with 0.1% of protease free BSA (as a final concentration). Competition binding assay is performed using 125I-CXCL10 (PerkinElmer, NEX348, specific activity 2200 Ci/mmol) radioligand in a final concentration of 50-70 pM. The nonspecific binding is defined by 150 pM of hr-CXCL10 (R&D Systems, Cat No 266-IP). The total assay volume is equal to 150 ul and contained 1% of DMSO (final concentration). Binding reaction is initiated by adding of membranes (10-20 ug proteins, approximately 5x105 cell equivalents) to the reaction mixture. After 60 minutes of incubation at 25&deg; C. the reaction is terminated by rapid filtration over GF/B glass fibre filters that are pre-soaked with 0.5% polyethyleneimine (Fluka Analytical, P3143) for 1 hour, using a Skatron cell harvester device. Filters then are washed with 8 ml of ice-cold wash buffer (modified binding buffer in which BSA is omitted and the concentration of NaCl is adjusted to 500 mM concentration). The radioactivity retained on the filters is measured by a Wizard 1470 Automatic Gamma counter.
8459	1	Time-Resolved Fluorescence Resonance Energy Transfer Assay	Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfer methodology. Recombinant Btk was pre-incubated with the compounds disclosed herein at room temperature for 1 hour in an assay buffer containing 50 mM Tris pH7.4, 10 mM MgCl2, 2 mM MnCl2, 0.1 mM EDTA, 1 mM DT, 20 nM SEB, 0.1% BSA, 0.005% tween-20. The reactions were initiated by the addition of ATP (at the concentration of ATP Km) and peptide substrate (Biotin-AVLESEEELYSSARQ-NH2). After incubating at room temperature for 1 h, an equal volume of stop solution containing 50 mM HEPES pH7.0, 800 mM KF, 20 mM EDTA, 0.1% BSA, Eu cryptate-conjugated p-Tyr66 antibody and streptavidin-labeled XL665 was added to stop the reaction. Plates were further incubated at room temperature for 1 hour, and then the TR-FRET signals (ex337 nm, em 620 nm/665 nm) were read on BMG PHERAstar FS instrument. The residual enzyme activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 615 nm to that at 665 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software.
8460	1	Radioligand Binding Assay	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4&deg; C., frozen and stored at -80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000 g for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at -80&deg; C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3xKd in nM and 500 ul of the membranes (resuspended at 50 ug protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4&deg; C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 ul of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8460	2	Radioligand Binding Assay	HEK-293 cells stably expressing rat TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4&deg; C., frozen and stored at -80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000 g for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at -80&deg; C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3xKd in nM and 500 ul of the membranes (resuspended at 50 ug protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4&deg; C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 ul of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8461	1	HTRF Assay 	The inhibiting activity of 11&#946;-HSD1 derived from microsomal fractions was measured using the HTRF assay (62CO2PEB, Cisbio). Different concentrations of compounds were added to 96-well plates, followed by the addition of TE buffer (20 mM Tris buffer and 5 mM EDTA, pH 6.0) containing 200 &#956;M NADPH (N1630, Sigma) and 160 nM cortisone (C2755, Sigma), The reactions were initiated by the addition of human microsomal fractions (M0317, Sigma), and were allowed to incubate for 2 h at 37° C. Europium (Eu3+) cryptate and XL665-conjugated cortisol were then added to each well and incubated for an additional 2 h at room temperature. 
8462	1	Electrochemiluminescence (ECL)-Based Immunoassay	To measure &#947;-secretase activity, membranes were incubated at 37° C. for 1 h in 50 &#956;L of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDTA. At the end of the incubation, A&#946; 40 and A&#946; 42 were measured using an electrochemiluminescence (ECL)-based immunoassay. A&#946; 40 was identified with antibody pairs TAG-G2-10 and biotin-W02, while A&#946; 42 was identified with TAG-G2-11 and biotin-4G8. The ECL signal was measured using an ECL-M8 instrument (IGEN International, Inc.) according to the manufacturer's instructions.
8463	1	Biochemical Binding Assay	Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the binding affinity and inhibition activities of CYT-0387 to Type-I BMPR-kinases (ALK2, ALK3, and ALK6) were conducted. Transforming growth factor beta receptor 1 (TGFBR1, ALK5) was used as a control to determine the selectivity to Type-I BMPR-kinases. 
8464	1	Enzyme Immunoassay (EIA) Assay	I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) Prepare 0.1 M K2HPO4 from powder of K2HPO4 (Fisher, BP363-500) Mix 0.1 M K2HPO4 with 0.1 M KH2PO4 to adjust pH to 7.4. b. Preparation of 0.5% &#947;-globulin Add 0.1 g of &#947;-globulin (Sigma, Cat# G-5009) to 20 mL 0.1 M K2HPO4/KH2PO4 buffer (pH 7.4) and make 1-mL/vial aliquots and store in &#8722;80° C. c. Preparation of 100 mM GSH Add 307 mg of GSH (Sigma, Cat# G-6529) to 10 mL 0.1 M K2HPO4/KH2PO4 buffer (pH 7.4) and store at &#8722;80° C. d. Preparation of Reaction buffer: 198 mL of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) 2 mM GSH Prepared from 100 mM GSH 0.4 g Glycerol 2 mL of 0.5% &#947;-globulin Add 0.4 g of glycerol and 2 mL of 0.5% &#947;-globulin to 198 mL of 0.1 M K2HPO4/KH2PO4 buffer (pH7.4). 
8465	1	Enzyme-Linked Immunosorbent Assay	Experimental Procedures(1) Kinase reaction substrate Poly(Glu, Tyr, 4:1) was diluted to 20 g/ml with potassium ion-free PBS, and enzyme labeled plate was coated by the substrate, reacted at 37&deg; C. for 12-16 h, and then the liquid in holes was removed.(2) Enzyme labeled plate was washed with T-PBS for three times, 10 min each time.(3) Enzyme labeled plate was dried at 37&deg; C. in a dryer.(4) The tested samples were added into holes of the coated enzyme labeled plate:The tested samples were firstly formulated to be a 10 2 M stock solution with DMSO, and then diluted to required concentration with reaction buffer before use, added into the experiment holes to reach corresponding final concentration in a 100 uL reaction system. Meanwhile, positive control holes were created, and compound Sorafenib was added. The rest of the stock solutions was storaged at 20&deg; C. after subpackage.
8466	1	FRET (Forster/Flouresence Resonance Energy Transfer) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease: 10 nM Eu-streptavidin (Perkin-Elmer Catalog# AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog #STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 ul of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog #PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10x concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10x stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14&deg; C. After the incubation the plates were read on a BMG Pherastar Fluorescent plate reader (or equivalent) and used to measure the emission energy from the europium donor fluorophore (620 nm emission) and the FRET (665 nm emission). The negative control well values were averaged to obtain the mean minimum. The positive "no inhibitor" control wells were averaged to obtain the mean maximum.
8467	1	Biological Assay	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound's antagonist activity in vitro. Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1xHanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1x Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37&deg; C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 uM (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
8468	1	ChEMBL_158304 (CHEMBL763189)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	2	ChEMBL_158305 (CHEMBL763190)	Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	3	ChEMBL_158306 (CHEMBL763191)	Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	4	ChEMBL_158307 (CHEMBL763192)	Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	5	ChEMBL_158308 (CHEMBL763365)	Inhibition of Porphyromonas gingivalis beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	6	ChEMBL_158309 (CHEMBL763366)	Inhibition of Porphyromonas gingivalis beta carbonic anhydrase preincubated for15 mins by stopped-flow CO2 hydrase assay
8468	7	ChEMBL_158310 (CHEMBL763367)	Inhibition of Helicobacter pylori beta carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	8	ChEMBL_158311 (CHEMBL763368)	Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	9	ChEMBL_158312 (CHEMBL763369)	Inhibition of Methanosarcina thermophila gamma carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
8468	10	ChEMBL_158313 (CHEMBL763370)	Inhibition of Vibrio cholerae recombinant carbonic anhydrase gamma expressed in Escherichia coli DE3 cells preincubated for 15 mins by stopped-flow CO2 hydrase assay
8469	1	Competitive Inhibition Binding Assay	A competitive inhibition binding assay was performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMCR-1a or hMCR-4 (in each instance where the h prefix refers to human), or alternatively membrane homogenates from B16-F10 mouse melanoma cells containing endogenous murine MCR-1. In the examples that follow, all MCR-1 and MCR-4 values are for human recombinant receptors, unless otherwise noted. Assays were performed in 96 well polypropylene round-bottom plates (VWR catalog number 12777-030). Membrane homogenates were incubated with 0.1 nM [I125]-NDP-&alpha;-MSH (Perkin Elmer) and increasing concentrations of test peptides of the present invention in buffer containing 25 mM HEPES buffer (pH 7.5) with 100 mM NaCl, 2 mM CaCl2, 2 mM MgCl2, 0.3 mM 1,10-phenanthroline, and 0.2% bovine serum albumin. After incubation for 90 minutes at 37&deg; C., the assay mixture was filtered onto GF/B Unifilter plates (Perkin-Elmer catalog number 6005177) and washed with 3 mL of ice-cold buffer per well. Filters were air dried and 35 uL of scintillation cocktail added to each well. Plates were counted in a Microbeta counter for bound radioactivity. Non-specific binding was measured by inhibition of binding of [I125]-NDP-&alpha;-MSH in the presence of 1 uM NDP-&alpha;-MSH. Maximal specific binding (100%) was defined as the difference in radioactivity (cpm) bound to cell membranes in the absence and presence of 1 uM NDP-&alpha;-MSH. Each assay was conducted in duplicate and the actual mean values are described, with results less than 0% reported as 0%. Ki values for peptides of the present invention were determined using Graph-Pad Prism curve-fitting software.
8470	1	FRET-Based Membrane Potential Assay	Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well in growth medium [DMEM (Invitrogen #11965) with 10% HI FBS (Invitrogen #10082), 2 mM glutamine, 100 units/mL penicillin, 0.1 mg/mL streptomycin (PSG, Sigma #G1146), and 500 ug/mL Geneticin (Invitrogen #10131)] in black-walled, clear-bottom 384-well poly-D-lysine-coated assay plates (Greiner Bio-One, Frickenhausen, Germany) and incubated in a humidified 5% CO2 incubator at 37&deg; C. On the day of the assay, medium was removed by aspiration, and cells were washed with assay buffer [HBSS (Invitrogen, Carlsbad, Calif.) containing 20 mM HEPES (Invitrogen, Carlsbad, Calif.)]. After washing, 30 uL assay buffer containing the fluorescent voltage-sensor probe CC2-DMPE (Invitrogen, Carlsbad, Calif.) at 20 uM and 0.01% pluronic F-127 (Invitrogen, Carlsbad, Calif.) was added to the cells. Cells were incubated for 40 minutes at room temperature in the dark. Following the incubation, the cells were washed and 30 uL assay buffer containing 2.5 uM DiSBAC2(3) substrate (Invitrogen, Carlsbad, Calif.) and 0.5 mM VABSC-1 (Invitrogen, Carlsbad, Calif.) was added to the cells. The cells were incubated for 90 minutes at room temperature in the dark. Fluorescence readings were made using a FLIPR TETRA (Molecular Devices, Sunnyvale Calif.) equipped with voltage-sensor probe optics. At the start of each experiment the optimal (EC80) concentration of depolarizing agent (veratridine) was determined by testing a dilution curve of assay buffer containing veratridine (Sigma-Aldrich, St. Louis, Mo.) and 1 mg/mL scorpion venom (SVqq, from Leiurus quinquestriatus; Sigma-Aldrich, St. Louis, Mo.). Compounds were dissolved in dimethyl sulfoxide, and 8-point, 1:3 dilution concentration-response curves were prepared in duplicate in dimethyl sulfoxide, followed by preparation of 0.8 uL/well daughter plates of the dilutions. Test compounds in the daughter plate were diluted to ( 3x) solutions in assay buffer immediately before assaying. Using the FLIPR TETRA, 20 uL of the (3x) compound solutions were first added to the cells, then 20 uL of depolarizing solution (3xEC80 veratridine+SVqq) were added 3 minutes later to activate the channel. Changes in fluorescence were measured at wavelengths of 440-480 nm and 565-625 nm over the course of the experimental run. Membrane depolarization was expressed as a ratio of the maximum F440-480 nm/F565-625 nm reading above average baseline F440-480 nm/F565-625 nm reading. IC50 values were calculated from curve fits of the ratio data using a four-parameter logistic Hill equation (Accelrys Assay Explorer 3.3 Client, Accelrys, San Diego, Calif.) with percent inhibition plotted against compound concentration.
8470	2	FRET-Based Membrane Potential Assay	Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and plated at 22,500 cells/well in growth medium [MEM (Invitrogen #11095) with 10% FBS (Invitrogen #10082), 1 mM sodium pyruvate (Invitrogen, #C11360), 10 units/mL penicillin 10 U/mL streptomycin 29.2 ug/mL glutamine ((PSG 1%, Invitrogen #10378), 400 ug/mL zeocin (Invitrogen #R250) in black-walled, clear-bottom 384-well poly-D-lysine-coated assay plates (Greiner Bio-One, Frickenhausen, Germany) and incubated in a humidified 5% CO2 incubator at 37&deg; C. On the day of the assay, medium was removed by aspiration, and cells were washed with assay buffer [HBSS (Invitrogen, Carlsbad, Calif.) containing 20 mM HEPES (Invitrogen, Carlsbad, Calif.)]. After washing, 30 uL assay buffer containing the fluorescent voltage-sensor probe CC2-DMPE (Invitrogen, Carlsbad, Calif.) at 20 uM and 0.01% pluronic F-127 (Invitrogen, Carlsbad, Calif.) was added to the cells. Cells were incubated for 40 minutes at room temperature in the dark. Following the incubation, the cells were washed and 30 uL assay buffer containing 2.5 uM DiSBAC2(3) substrate (Invitrogen, Carlsbad, Calif.) and 0.5 mM VABSC-1 (Invitrogen, Carlsbad, Calif.) was added to the cells. The cells were incubated for 60 minutes at room temperature in the dark. Fluorescence readings were made using a FLIPR TETRA(Molecular Devices, Sunnyvale Calif.) equipped with voltage-sensor probe optics. The depolarizing agent, veratridine (Sigma-Aldrich, St. Louis, Mo.), was made up at 3 concentrations in assay buffer containing 1 mg/mL scorpion venom (SVqq, from Leiurus quinquestriatus; Sigma-Aldrich, St. Louis, Mo.).
8471	1	ELISA Assay	CVF-Bb complex prepared from purified cobra venom factor (1 &#956;M), recombinant human complement factor B (expressed in drosophila cells and purified using standard methods) and human complement factor D (expressed in E. Coli, refolded and purified using standard methods). CVF-Bb complex at 3 nM concentration was incubated with test compound at various concentrations for 1 hour at room temperature in PBS pH 7.4 containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human complement C3 substrate purified from plasma was added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction was stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, was quantified by means of an enzyme-linked-immunosorbent assay. 
8472	1	In Vitro Inhibition Activity Assay	The compounds of formula I were tested for their activity on different PKC isoforms according to a published method (D. Geiges et al. Biochem. Pharmacol. 1997; 53:865-875) The assay is performed in a 96-well polypropylene microtiterplate (Costar 3794) that has been previously siliconized with Sigmacote (Sigma SL-2). The reaction mixture (50 &#956;L) contains 10 &#956;L of the relevant PKC isozyme together with 25 &#956;L of the PKC inhibitor compound and 15 &#956;L of a mix solution that contains 200 &#956;g/mL protamine sulfate, 10 mM Mg(NO3)2, 10 &#956;M ATP (Boehringer 519987) and 3750 Bq of 33P-ATP (Hartmann Analytic SFC301, 110 TBq/mmol) in 20 mM Tris-buffer pH 7.4+0.1% BSA. Incubation was performed for 15 minutes at 32° C. in a microtiterplate shaking incubator (Biolabo Scientific Instruments). Reaction was stopped by adding 10 &#956;l of 0.5 M Na2EDTA, pH 7.4. 50 &#956;l of mixture are pipetted onto a pre-wetted phosphocellulose paper (Whatmann 3698-915) under gentle pressure. 
8472	2	GSKbeta Assay	Types of GSK-3 assay used to test the selectivity/off target potential compounds of the invention with respect to PKC ±/ inhibition activity includes the following: Type 1: The GSK-3 specific peptide used in this assay was derived from the phosphorylation site of glycogen synthase and its sequence is: YRRAAVPPSPSLSRHSSPHQ(S)EDEEE (SEQ ID NO: 1). (S) is pre-phosphorylated as is glycogen synthase in vivo and the three consensus sites for GSK-3 specific phosphorylation are underlined. The buffer used to make up the glycogen synthase peptide and [&gamma;-33P] ATP consisted of MOPS 25 mM, EDTA 0.2 mM, magnesium acetate 10 mM, Tween-20 0.01% and mercaptoethanol 7.5 mM at pH 7.00. The compounds were dissolved in dimethyl sulphoxide (DMSO) to a final concentration of 100 mM. Various concentrations were made up in DMSO and mixed with the substrate (GSK-3 peptide) solution (to a final concentration 20 uM) described in the above section along with rabbit or human GSK-3&alpha; and GSK-3&beta; (final concentration 0.5 uM/mL enzyme). The reactions were initiated with the addition of [&gamma;-33P] ATP (500 cpm/pmole) spiked into a mixture of ATP (final concentration of 10 uM). After 30 minutes at room temperature the reaction was terminated by the addition of 10 uL of H3PO4/O.OP/0 Tween-20 (2.5%). A volume (10 uL) of the mixture was spotted onto P-30 phosphocellulose paper (Wallac & Berthold, EG&G Instruments Ltd, Milton Keynes). The paper was washed four times in H3PO4 (0.5%), 2 minutes for each wash, air dried and the radioactive phosphate incorporated into the synthetic glycogen synthase peptide, which binds to the P-30 phosphocellulose paper, was counted in a Wallac microbeta scintillation counter Analysis of Data: Values for IC50 for each inhibitor were calculated by fitting a four-parameter logistic curve to the model: cpm=lower+(upper-lower)/(I+(concentration IC50)).
8472	3	In Vitro Caliper Kinase Assay	For comparison between certain PKC inhibitors of the present application and structurally comparable PIM kinase inhibitors, the activity of PIM2 was measured using an in vitro Caliper kinase assay. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The 384 well microtiter assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 ul per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 1 mM MgCl2, 25 uM ATP, and 2 uM S6 peptide) and 4.5 ul per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 1 mM MgCl2, and 0.6 nM PIM2 enzyme).
8473	1	null	The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#33-016), which is a homogeneous assay to measure the accumulation of ADP, a universal product of kinase activity. The enzyme, PI3K (p110&alpha;/p85&alpha; was purchased from Carna Biosciences (#07CBS-0402A). The assay was done following the manufacturer recommendations with slight modifications, mainly that the kinase buffer was replace by 50 mM HEPES, pH 7.5, 3 mM MgCl2, 100 mM NaCl, 1 mM EGTA, 0.04% CHAPS, 2 mM TCEP and 0.01 mg/mL BGG. The PI3K was assayed in a titration experiment to determine the optimal protein concentration for the inhibition assay. To calculate the IC50 of the compounds, serial 1:5 dilutions of the compounds were added to the enzyme at a fixed concentration (2.5 ug/mL). The enzyme was preincubated with the inhibitor and 30 uM PIP2 substrate (P9763, Sigma) for 5 min and then ATP was added to a final 50 uM concentration. The reaction was carried out for 1 hour at 25&deg; C. Reagent A and B were sequentially added to the wells and plates were incubated for 30 min at 37&deg; C. Fluorescence counts were read in a Victor instrument (Perkin Elmer) with the recommended settings (544 and 580 nm as excitation and emission wavelengths, respectively). Values were normalized against the control activity included for each enzyme (i.e., 100% PI3 kinase activity, without compound). These values were plotted against the inhibitor concentration and were fit to a sigmoid dose - response curve by using the model sigmoidal Four-Parameter Logistc implement for Activity base - software.
8473	2	LanthaScreen Kinase Activity Assay	The enzymatic mTOR activity was measured using a LanthaScreen kinase activity assay (Invitrogen). The enzyme was purchased from Invitrogen (PV4754), as well as the GFP-labelled substrate (4EBP1-GFP; PV4759) and the Tb-antip4EBP1(pThr46) antibody (PV4757). The assay was performed in 50 Mm HEPES buffer, pH 7.5, containing 1.5 mM MnCl2, 10 mM MgCl2, 1 mM EGTA, 2.5 mM DTT and 0.01% Tween-20. The concentration of the assay components were the following: 0.24 nM mTOR kinase, 400 nM 4EBP1-GFP, 10 mM ATP and serial dilutions of the compound (inhibitor) to be evaluated. After 1 h incubation at room temperature, 20 mM EDTA was used to stop the reaction and terbium-labelled antibody (4 nM) added to detect phosphorylated product. The antibody associates with the phosphorylated product resulting in an increased TR-FRET value. The TR-FRET value (a dimensionless number) was calculated as the ratio of the acceptor signal (GFP, emission at 520 nm) to the donor signal (terbium, emission at 495 nm).
8473	3	ADP Hunter Plus Assay	The kinase activity was measured by using the commercial ADP Hunter Plus assay available from DiscoveRx (#90-0083), which is a homogeneous assay to measure the accumulation of ADP, a universal product of kinase activity. The enzyme, DNA-PK was purchased from Promega (#V5811). The assay was done following the manufacturer recommendations with slight modifications: Mainly the kinase buffer was replace by 15 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM NaCl, 1 mM EGTA, 0.1 mg/mL BGG, 0.02% Tween 20. The DNA-PK was assayed in a titration experiment to determine the optimal protein concentration for the inhibition assay. To calculate the 1050 of the Compounds, serial 1:3 dilutions of the compounds were added to the enzyme at a fixed concentration (2 U/uL). The enzyme was preincubated with the inhibitor and 200 uM DNA substrate and then ATP was added to a final 75 uM concentration. Reaction was carried out for 1 hour at 37&deg; C. Reagent A and B were sequentially added to the wells and plates were incubated for 30 min at RT. Fluorescence counts were read in a EnVision instrument (Perkin Elmer) with the recommended settings (550 and 590 nm as excitation and emission wavelengths, respectively). Values were normalized against the control activity included for each enzyme (i.e., 100% DNA_PK kinase activity, without compound). These values were plotted against the inhibitor concentration and were fit to a sigmoid dose-response curve by using the model sigmoidal Four-Parameter Logistc implement for Activity base - software.
8473	4	Binding Assay	Predictor hERG Assay test kits were obtained from Invitrogen (Carlsbad, Calif.). The binding assay was carried out according to the kit instructions. Fluorescence polarization measurements were made using EnVision Microplate Reader from Perkin-Elmer Instruments. 
8473	5	Luciferase-Based P450-Glo Assay	Five CYP isoforms (0.5 pmol) were tested, namely 1A2, 2C9, 2C19, 2D6 and 3A4 (each isoform was assayed in a separate assay plate). Each assay plate contained several compounds at 2 concentrations (10 uM and 1 uM), with 2 replicates at each concentration or a small number of compounds per plate in dose response by duplicate (50, 16.5, 5.4, 1.8, 0.6, 0.2, 0.066, 0.022, 0.007 uM). In addition, each assay plate contained 8 different concentrations of an isoform-specific inhibitor (Furafylline, Sulfaphenazole, N-3-benzylnirvanol, Quinidine and Ketoconazole as inhibitors of CYP 1A2, 2C9, 2C19, 2D6 and 3A4, respectively), with two replicates at each concentration. The test compounds and the reference inhibitors were tested at a final DMSO concentration of 0.5%. The assay plate included also 8 replicates a vehicle control containing 0.5% DMSO/H2O. The membranes containing the CYPs, test compound and the probe substrate were pre-incubated 10 min at 37&deg;C. in the absence of NADPH, NADPH was then added following incubation for 60 minutes at 37&deg;C., the reaction was terminated by the addition of Luciferin detection reagent. After 20 min incubation at 37&deg;C., the assay plate was read in the Envision 2104 Multilable reader. Values were normalized against the control activity included for each CYP. These values were plotted against the inhibitor concentration and were fitted to a sigmoid dose-response curve by using the model sigmoidal Four-Parameter Logistc inplement for Activity base software.
8474	1	Receptor Assay	Engagement of the LPA5 receptor by its ligand, oleoyl-L- ±-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into the cytoplasm mediated through a Gq-driven increase in inositol triphosphate (IP3) levels. Gq is a heterotrimeric G protein subunit that activates phospholipase C.The ability of test compounds to prevent LPA-driven intracellular release of stored calcium from RH7777 cells expressing human LPA5 receptors was assayed by stimulating the cells with LPA in the presence of various test compounds to measure the test compounds' antagonism, i.e. activity in vitro. Approximately 10,000 cells in normal culture medium (Minimal Essential Media, 10% Foetal Calf Serum) were dispensed per assay well in a black clear bottom poly-D-lysine coated 384 well plate (Corning). Cells were allowed to settle for thirty minutes at room temperature before being incubated overnight at 37&deg; C., 5% CO2. Sixteen to twenty hours after dispensing, the cells were loaded with a calcium-sensitive fluorescent dye by replacing the culture medium with assay buffer (1x Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH7.4) containing 1.25 mM probenecid and 1x Calcium 5 Reagent (Molecular Devices). Cells were incubated at 37&deg; C. for one hour to allow for dye uptake.
8474	2	Receptor Assay	Engagement of the LPA1 receptor by its ligand, oleoyl-L- ±-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into the cytoplasm mediated through a Gq-driven increase in inositol triphosphate (IP3) levels. Gq is a heterotrimeric G protein subunit that activates phospholipase C. The ability of test compounds to prevent LPA-driven intracellular release of stored calcium from RH7777 cells expressing human LPA1 receptors was assayed by stimulating the cells with LPA in the presence of various test compounds to measure the test compounds' antagonism, i.e. activity in vitro. Approximately 10,000 cells in normal culture medium (Dulbecco's Modified Eagle Media, 10% Foetal Calf Serum) were dispensed per assay well in a black clear bottom collagen coated 384 well plate (Beckton Dickinson). Cells were allowed to settle for thirty minutes at room temperature before being incubated overnight at 37&deg; C., 5% CO2. Sixteen to twenty hours after dispensing, the cells were loaded with a calcium-sensitive fluorescent dye by replacing the culture medium with assay buffer (1x Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH7.4) containing 1.25 mM probenecid and 1x Calcium 5 Reagent (Molecular Devices). Cells were incubated at 37&deg; C. for one hour to allow for dye uptake.
8475	1	Kinase Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 ul assay volume). The reaction was stopped by the addition of 3 ul of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-Jugesheim, Germany].
8476	1	Inhibition Assay	A stock solution was prepared using a human MAO-B enzyme (purchased from Aldrich) and a Amplex Red monoamine oxidase assay kit according to a preparation manual. The kit includes a 5x reaction buffer, an Amplex red reagent (1 mg), HRP, DMSO, H2O2, p-tyramine (substrate of MAO-A, B), benzylamine (substrate of MAO-B), clorgiline (inhibitor of MAO-A), and pargyline (inhibitor of MAO-B). Among these reagents in the kit, benzylamine was used as a substrate for MAO-B, and pargyline was used as an MAO-B inhibitor. A solution as overall substrates was prepared as follows. 200 ul of a solution of 1 mg of Amplex red sufficiently dissolved in 200 ul of DMSO, 100 ul of a mixed solution of HRP and 1 ml of a 1x buffer, 200 ul of a solution of benzylamine dissolved in 1.2 ml of dH2O were added to 9.5 ml of a 1x buffer to reach a total volume of 10 mL, which is sufficient for 100 wells. 0.5 ul of a mixture of MAO-B inhibitor pargyline and 1 ml of dH2O was put into each well. First, the activity of MAO-B was determined using 10 uM of the synthesized compound. 96 wells were injected with positive and negative types, and the wile type. The positive type included only substrate and hydrogen peroxide, and the negative type included only substrate. For the wild type, corresponding wells were injected with the enzyme, substrate, and MAO-B inhibitor, but with no synthesized compound. Afterward, 2 ul of the synthesized compound (1 mM) was added into each well, and the human MAO-B enzyme was put only into the 1st row of wells. 0.5 ug of the human MAO-B was put into each well along with 100 ul of a 1x buffer. The human MAO-B enzyme was put into the 2nd row of the wells along with 0.5 ul of a pargyline, the MAO-B inhibitor. To reduce an experimental error for accuracy, the test was repeated three times for each compound. After 30 minutes, 100 ul of the substrate solution was added into each well in a darkroom. The test was performed in the darkroom due to light sensitivity of the Amplex reagent. Finally, a total volume of the reaction solution per well reached 200 ul. After about 2 to 3 hours, chromophoric degrees of the samples were measured. A variation in data values for the 1st and 2nd rows of the wells indicates the pure reaction activity of the MAO-B enzyme with the substrate. Using the samples with the synthesized compound the remaining activity of MAO-B after inhibited by the synthesized compound may be determined. This is because the activities of the other enzymes excluding the MAO-B enzyme may be excluded through this method. Compounds with high inhibitory activity at a concentration of 10 uM were screened from among the synthesized compounds at a compound concentration of 10 uM. Afterward, concentration-dependent IC50 values of these compounds may be obtained through an activity assay at different concentrations of 0.001 uM, 0.01 uM, 0.1 uM, 1 uM, and 10 uM.
8477	1	Human Neutrophil Elastase Assay	The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA.Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 &#956;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
8477	2	Inhibition Assay	The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of Pharmacological and Toxicological Methods (2014), http://dx.doi.org/10.1016/i.vascn.2014.08.001.
8478	1	Biological Assay	Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptavidin (5 nM) and (+) or (&#8722;)-2-((1E,3E,5E)-5-(1-(6-((2-(3-(4-((R)-3-amino-3-phenylpropanoyl)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl)phenoxy)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium (Biological Example 2.6, 240 nM activity against factor B when tested using the assay of Biological Example 1) (75 nM) were incubated with test compound at various concentrations up to 2 hours at room temperature in 20 mM Tris/HCl, pH 7.4, 0.005% (v/v) Tween20.The time-gated decrease in fluorescence intensity related to the competition between labeled and unlabeled factor B ligands was recorded at both 620 nm and 665 nm, 70 &#956;s after excitation at 337 nm using a microplate spectrofluorimeter.
8479	1	Inhibition Assay	The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 uM to 0.0078 uM; resulting final concentrations in the test: 50 uM to 0.00013 uM). In each case 1 ul of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 ul of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 ul of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 ul of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 uM in assay buffer) from Bachem, the mixture is incubated at room temperature (22&deg; C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
8480	1	Aequorin Functional Assay	Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium. Antagonist Testing: the antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A. Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below). The IC50 values shown in table 5 indicate that compounds of the invention are potent NK-3 antagonist compounds.
8480	2	Binding Competition Assay	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). 
8480	3	Binding Assay	The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard).
8480	4	Binding Assay	The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). 
8480	5	Inhibition Assay	The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKf current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG).Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 uM; 3 uM; 10 uM; 30 uM) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models.The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from -80 mV to a maximum value of +40 mV, starting with -40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to -55 mV, after each of these incremented steps, for 1 second and finally repolarized to -80 mV for 1 second. The current density recorded were normalized against the baseline conditions and corrected for solvent effect and time-dependent current run-down using experimental design in test compound free conditions. Inhibition curves were obtained for compounds and the concentrations which decreased 50% of the current density determined in the baseline conditions (IC50) were determined. All compounds for which the IC50 value is above 10 uM are not considered to be potent inhibitors of the hERG channel whereas compounds with IC50 values below 1 uM are considered potent hERG channel inhibitors.
8481	1	FlashPlate Assay	The kinase assay was carried out as 384-well FlashPlate assay. As test plates 384-well streptavidine coated FlashPlate microtitre plates from Perkin Elmer (USA) were used. The components of the kinase reaction were pipetted into the assay plate. 4.5 nM of GST tagged human recombinant RON kinase (Life technologies), 500 nM of biotinylated peptide substrate RDILDREYYSVQQHRH-amide (autophosphorylation site derived peptide substrate, custom-made) and 2 &#956;M of ATP (with 0.5 &#956;Ci of <33>P-ATP/well) were incubated in a total volume of 50 &#956;l (50 mM of HEPES, 5 mM of MgCl2, 2 mM of DTT, 0.1% of BSA, 0.01% Igepal CA630, 1% DMSO, pH 7.5) in the presence or absence of test substance (10 concentrations) at 22 [deg.] C for 30 min. The reaction was stopped using 50 &#956;l of 200 mM EDTA solution. After incubation for a further 80 min at room temperature, the supernatants were removed by suction, and the wells were washed three times with 100 &#956;l of 0.9% NaCl solution each time. 
8482	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity.
8483	1	Human Neutrophil Elastase Assay	The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA.Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 &#956;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
8484	1	Biochemical Inhibition Assay	The NAMPT Enzymatic Reaction. The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100x stock. Buffer A (89 uL) containing 33 nM of NAMPT protein was added to 1 uL of 100x compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mixture was incubated for 15 min at rt, then 10 uL of 10x substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 uM NAM, 100 pM 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5'-triphosphate (ATP). The reaction was allowed to proceed for 30 min at rt, then was quenched with the addition of 11 uL of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 uM L-Cystathionine. Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.
8485	1	[35S]GTPgammaS Binding Assay	The frozen cell membrane fraction prepared as described above was thawed before use, and the resultant was diluted with a buffer for a binding assay (final concentrations: 20 mM HEPES, 100 mM NaCl, 1 mM MgCl2, 3 uM GDP, 300 ug/mL saponin, 0.1% BSA). The compound of each example was added to a cell membrane fraction containing 1.8 to 3 ug/assay of membrane protein on a plate, followed by incubation at room temperature for 30 minutes. Thereafter, with glutamic acid (in a final concentration of 10 uM) added thereto, incubation was performed at room temperature for 15 minutes, and thereafter, [35S]GTP&gamma;S (in a final concentration of 0.8 kBq) and 588 ug WGA-SPA beads were added thereto, followed by incubation at room temperature for 1 hour. After the incubation, the plate was subjected to the centrifugal separation at 2,500 rpm and room temperature, and then, membrane cell binding radioactivity was measured with a top count. A [35S]GTP&gamma;S binding amount obtained in the presence of glutamic acid was defined as specific binding. On the basis of ratios of inhibiting the specific binding at various concentrations of the compounds of the respective examples, inhibition curves were obtained. Concentrations of the compounds of the respective examples at which the specific [35S]GTP&gamma;S binding amount was suppressed by 50% (IC50 values) were calculated on the basis of the inhibition curves.
8486	1	Activity Assay	Inhibitory activity-1 assay: To a solution containing 20 mM Tris-HCl (pH 7.5), 1 mM MgCl2, 100 &#956;M EDTA, 330 &#956;g/ml bovine serum albumin, 50 kU/ml 5&#8242;-nucleotidase, 0.1 &#956;Ci 3H-cAMP (64 nM cAMP), and PDE10A (H-PDE10A2, Human Phosphodiesterase 10A2, Scottish Biomedical), a test compound was added, and the mixture was reacted at 25° C. for 2 hours. To the reaction solution, QAE-Sephadex (17-0190-01, GE Healthcare Japan Corp.) suspended in 10 mM HEPES-Na (pH 7.0) (hereinafter, also referred to as a &#147;QAE-Sephadex suspension&#148;) was added, and the mixture was shaken for 1 minute and left standing for 5 minutes to obtain a supernatant. To the supernatant, a QAE-Sephadex suspension was further added, and the mixture was shaken for 1 minute and left standing for 5 minutes. Then, the obtained supernatant was transferred to LumaPlate (PerkinElmer, Inc.) and assayed using a radiation counter (TopCount NXT, PerkinElmer, Inc.).
8486	2	Activity Assay	A human acute lymphoblastic lymphoma T cell line MOLT-4 (which can be purchased under ATCC No. CRL-1582 from ATCC) was cultured in an RPMI1640 medium containing 10% fetal bovine serum to obtain 5108 MOLT-4 cells. The cells were recovered by centrifugation and suspended in 10 ml of buffer solution A (25 mM Tris-HCl, 5 mM 2-mercaptoethanol, 2 mM benzamidine, 2 mM EDTA, and 0.1 mM 4-(2-aminoethyl)benzenesulfonyl hydrochloride, pH 7.5). The cells were homogenized using a Polytron homogenizer and centrifuged (4&deg; C., 25,000 g, 10 minutes). Then, the supernatant was further ultracentrifuged (4&deg; C., 100,000 g, 60 minutes). The obtained supernatant was filtered through a 0.2um filter to obtain a soluble fraction.HiTrap Q HP column (5 ml2, GE Healthcare Japan Corp.) equilibrated with buffer solution A was charged with the obtained soluble fraction. Phosphodiesterase was eluted with 300 ml of buffer solution A containing a linear gradient solution of 0 to 0.8 M NaCl to recover sixty 5-ml fractions. Each fraction was tested for cAMP-metabolizing phosphodiesterase activity. In each fraction, a fraction eluted as an active peak centered around 250 mM NaCl was collected from fractions that had cAMP metabolic activity and did not lose the metabolic activity by 10uM rolipram (PDE4 selective inhibitor) and 10uM milrinone (PDE3 selective inhibitor). In order to confirm whether or not PDE10A mRNA was expressed in the MOLT-4 cells, total RNA was prepared from the MOLT-4 cells according to a standard method and analyzed by RT-PCR using PDE10A gene-specific primers (PDE10A sense primer: 5'-TGCTCCATGGTGGAAGTGGA-3' (SEQ ID NO: 1) and PDE10A antisense primer: 5'-CAACTGGAAGCATGCGGTCA-3' (SEQ ID NO: 2)). As a result, PDE10A mRNA was detected from the total RNA of the MOLT-4 cells. On the other hand, total RNA was prepared from Jurkat cells, one type of human T cell, and similarly subjected to RT-PCR. As a result, PDE10A mRNA was rarely detected. An active peak centered around 250 mM NaCl was not observed in fractions obtained by the treatment of Jurkat cells in the same way as above. Eur J Biochem. 1999, 266 (3), 1118-2 has reported that PDE10A from the rat striatum and testis is eluted as an active peak centered around 250 mM NaCl.
8487	1	In Vitro Assay	Relevant in vitro assays are referenced in Morrissette, et al., Bioorg. Med. Chem. Lett. 2004, 14, 4161-4164 and described in Lewis, et al. Thromb. Res. 1993, 70, 173 (assays of human &#945;-thrombin and human trypsin), and Lewis, et al. Thromb. Haemostasis 1995, 74, 1107-1112. The assays were carried out at 25° C. in 0.05 M TRIS buffer pH 7.4, 0.15 M NaCl, 0.1% PEG. Trypsin assays also contained 1 mM CaC12. In assays wherein rates of hydrolysis of a p-nitroanilide (pna) substrate were determined, a Thermomax 96-well plate reader was used was used to measure (at 405 nm) the time dependent appearance of p-nitroaniline. sar-PR-pna was used to assay human &#945;-thrombin (Km=125 &#956;M) and bovine trypsin (Km=125 &#956;M). p-Nitroanilide substrate concentration was determined from measurements of absorbance at 342 nm using an extinction coefficient of 8270 cm&#8722;1M&#8722;1.
8488	1	Ligand Binding Assay	As Alt et al., 2002. Membranes (20 &#956;g) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence of varying concentrations of test compounds for 60 min in a shaking water bath at 25° C. Nonspecific binding is measured using 10 &#956;M naloxone (MOR, DOR, KOR) or N/OFQ (NOP). Samples are filtered through GF/C glass-fiber filtermats mounted on a Brandel cell harvester and rinsed four times with 4° C. 50 mM Tris-HCl, pH 7.4 buffer. Filtermats are dried and 0.1 ml EcoLume scintillation cocktail added to each sample area to soak the filter. Each filtermat in a heat-sealed bag, is counted in a Wallac 1450 MicroBeta Liquid Scintillation and Luminescence Counter. 
8489	1	In Vitro Potency Assay	The compounds were screened for their affinity for PBR using a method adapted from Le Fur et al (Life Sci. 1983; USA 33: 449-57).The compounds to be tested (dissolved in 50mM Tris-HCl, pH 7.4, 10 mM MgCl2 containing 1% DMSO) competed for binding to Wistar rat heart PBR against 0.3 nM [3H]-PK-11195. The reaction was carried out in 50 mM Tris-HCl, pH 7.4 10 mM MgCl2 for 15 minutes at 25° C.
8490	1	Inhibition Assay	Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regenerating system and test compound was added. In the second well and all remaining wells, NADPH regenerating system and acetonitrile (final concentration of 2%) was added. The final assay concentration of the NADPH regenerating system was 8.2 uM NADP+, 0.41 mM glucose-6-phosphate, 0.41 mM magnesium chloride hexahydrate and 0.4 U/ml glucose-6-phosphate dehydrogenase and 0.01 mg/mL control insect cell membrane protein. The test compound solution was serially diluted 1:3 through the eighth wells.The final concentration of the test compounds were in the range 100 uM to 45.7 nM in the eight rows. Wells 9 and 10 contained no test compound (only NADPH regenerating system and enzyme/substrate mix) and wells 11 and 12 were used as controls for background fluorescence (enzyme and substrate were added after the reaction was terminated). The plate was then pre-incubated at 37&deg; C. for 10 min, and the reaction was initiated by the addition of pre-warmed enzyme/substrate mix. The assay concentration of the enzyme/substrate mix was 100 mM potassium phosphate, pH 7.4, 1.5 pmol recombinant human P450 CYP2D6 and 1.5 uM of the fluorescent substrate 3-[2-(N,N diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcounnarin (AMMC). The assay was conducted in duplicate in a final volume of 200 uL per well. Reactions were terminated after 30 min by addition of a 4:1, acetonitrile:0.5 M Tris base solution. Quinidine was used as positive control, 0.5 uM as highest concentration. Fluorescence per well was measured using a fluorescence plate reader (excitation: 390 nm, emission: 460 nm).
8491	1	Electrophysiological Assay	Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline.
8492	1	Inhibtion Assay	The PDE assay medium consisted of (final concentrations); 50 mM Tris-HCL, pH 7.5; 8.3 mM MgCl2; 1.7 mM EGTA; 0.5 mg/mL bovine serum albumin; and substrate (H-cAMP or H-cGMP). The BSA was lyophilized powder, essentially fatty acid free, >=96% pure from Sigma (A6003). 89 ul of assay medium and 1 ul of Compound 1 in 100% DMSO were added to a 96-well SPA plate and incubated for 1 minute at 30&deg; C. The assay was initiated by addition of 10 ul of PDE10, and incubated for 21 minutes. Then 50 ul of SPA beads were added and the plate was sealed, shaken, and incubated at room temperature for 1 hour. The plate was then counted in a Wallac 1450 Microbeta Trilux plate scintillation counter. For the PDE10 IC50 experiment, the substrate was 125 nM H-cGMP. For the selectivity experiments, the substrates were 37 nM H-cAMP for PDEs 3, 4, 7, and 8; and 37 nM H-cGMP for PDEs 1, 2, 5, 9, 10, and 11. In all cases substrate concentrations were below the KM. The consumption of substrate was less than 6%, indicating that substrate concentrations did not change appreciably during the assay.
8493	1	Scintillation Proximity Assay (SPA)	The binding of potential ligands to ROR&gamma; is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&gamma; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 ug/well ROR&gamma; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 uM to 0.28 nM for 10 min at room temperature in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% Glycerol (Sigma Cat#G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat #RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined. The IC50 value is defined as the concentration of test compound needed to reduce [3H] 25-hydroxycholesterol specific binding by 50% and is calculated using the four parameter logistic equation to fit the normalized data.
8494	1	Competitive Inhibition Assay Using [I125]-NDP-a-MSH	A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, or hMC5-R, and from B-16 mouse melanoma cells (containing endogenous MC1-R). In some instances, HEK-293 cells that express recombinant hMC1-R were employed. In the examples that follow, all MC3-R, MC4-R and MC5-R values are for human recombinant receptors. MC1-R values are for B-16 mouse melanoma cells, unless the heading is hMC1-R, in which case the value is for human recombinant MC1-R. Assays were performed in 96 well GF/B Millipore multiscreen filtration plates (MAFB NOB10) pre-coated with 0.5% bovine serum albumin (Fraction V). Membrane homogenates were incubated with 0.2 nM (for hMC4-R) 0.4 nM (for MC3-R and MC5-R) or 0.1 nM (for mouse B16 MC1-R or hMC1-R) [I125]-NDP-&alpha;-MSH (Perkin Elmer) and increasing concentrations of test peptides of the present invention in buffer containing 25 mM HEPES buffer (pH 7.5) with 100 mM NaCl, 2 mM CaCl2, 2 mM MgCl2, 0.3 mM 1,10-phenanthroline, and 0.2% bovine serum albumin. After incubation for 60 minutes at 37&deg; C., the assay mixture was filtered and the membranes washed three times with ice-cold buffer. Filters were dried and counted in a gamma counter for bound radioactivity. Non-specific binding was measured by inhibition of binding of [I125]-NDP-&alpha;-MSH in the presence of 1 uM NDP-&alpha;-MSH. Maximal specific binding (100%) was defined as the difference in radioactivity (cpm) bound to cell membranes in the absence and presence of 1 uM NDP-&alpha;-MSH. Radioactivity (cpm) obtained in the presence of test compounds was normalized with respect to 100% specific binding to determine the percent inhibition of [I125]-NDP-&alpha;-MSH binding. Each assay was conducted in triplicate and the actual mean values are described, with results less than 0% reported as 0%. Ki values for test peptides of the present invention were determined using Graph-Pad Prism curve-fitting software.
8494	2	Competitive Binding Assay Using Eu-NDP-a-MSH	A competitive inhibition binding assay was performed employing Eu-NDP-&alpha;-MSH (PerkinElmer Life Sciences catalog No. AD0225) with determination by time-resolved fluorometry (TRF) of the lanthanide chelate. In comparison studies with [I125]-NDP-&alpha;-MSH, the same values, within experimental error ranges, were obtained for percent inhibition and Ki. Typically competition experiments to determine Ki values were conducted by incubating membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R with 9 different concentrations of test compounds of interest and 2 nM of Eu-NDP-&alpha;-MSH in a solution containing 25 mM HEPES buffer with 100 mM NaCl, 2 mM CaCl2, 2 mM MgCl2 and 0.3 mM 1,10-phenanthroline. After incubation for 90 minutes at 37&deg; C., the reaction was stopped by filtration over AcroWell 96-well filter plates (Pall Life Sciences). The filter plates were washed 4 times with 200 uL of ice-cold phosphate-buffered saline. DELFIA Enhancement solution (PerkinElmer Life Sciences) was added to each well. The plates were incubated on a shaker for 15 minutes and read at 340 nm excitation and 615 nm emission wavelengths. Each assay was conducted in duplicate and mean values were utilized. Ki values were determined by curve-fitting with Graph-Pad Prism software using a one-site fixed-slope competition binding model.
8495	1	Immunological Binding Assay	Immunoassays also often use a labeling agent to specifically bind to and label the complex formed by the antibody and antigen. The labeling agent may itself be one of the moieties comprising the antibody/antigen complex. Thus, the labeling agent may be a labeled T1R polypeptide or a labeled anti-T1R antibody. Alternatively, the labeling agent may be a third moiety, such a secondary antibody that specifically binds to the antibody/T1R complex (a secondary antibody is typically specific to antibodies of the species from which the first antibody is derived). Other proteins capable of specifically binding immunoglobulin constant regions, such as protein A or protein G may also be used as the label agent. These proteins exhibit a strong non-immunogenic reactivity with immunoglobulin constant regions from a variety of species (see, e.g., Kronval et al., J. Immunol., 111:1401-1406 (1973); Akerstrom et al., J. Immunol., 135:2589-2542 (1985)). The labeling agent can be modified with a detectable moiety, such as biotin, to which another molecule can specifically bind, such as streptavidin. A variety of detectable moieties are well known to those skilled in the art. Throughout the assays, incubation and/or washing steps may be required after each combination of reagents. Incubation steps can vary from about 5 seconds to several hours, optionally from about 5 minutes to about 24 hours. However, the incubation time will depend upon the assay format, antigen, volume of solution, concentrations, and the like. Usually, the assays will be carried out at ambient temperature, although they can be conducted over a range of temperatures, such as 10&deg; C. to 40&deg; C.
8496	1	Caliper Assay	Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Phosphoacceptor substrate peptide concentration used was 1 &#956;M for all assays and Staurosporine was used as the reference compound for all assays. Specifics of each assay are as described below:CDK2/CyclinA: Enzyme concentration: 0.2 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/CyclinE: Enzyme concentration: 0.28 nM; ATP concentration: 100 &#956;M; Incubation time: 1 hr.CDK4/CyclinD1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 10 hr.CDK6/CyclinD3: Enzyme concentration: 1 nM; ATP concentration: 300 &#956;M; Incubation time: 3 hr.
8497	2	Inhibition Assays	The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoenzyme measured (P450 2C9, P450 3A4: 0.1 mg/ml; P450 2D6: 0.2 mg/ml; P450 2C19: 0.5 mg/ml; P450 2C8: 0.05 mg/ml) and a certain concentration of the individual substrate for each isoenzyme (P450 2C9: Diclofenac 10 &#956;M; P450 3A4: Midazolam 5 &#956;M; P450 2D6: Dextromethorphan 5 &#956;M; P450 2C19: S-Mephenytoin 70 &#956;M; P450 2C8: Amodiaquine 1 &#956;M).
8497	1	Binding Assays (DELFIA)	BIR3 domains (10 nM) were incubated with SMAC peptide (10 nM) in assay buffer (50 mM Tris, 120 mM NaCl, 0.1% BSA, 1 mM DTT, 0.05% Triton X100) for one hour at room temperature in the presence of inhibitory compounds. The assay mixture was transferred to a streptavidin coated plate and incubated for one hour at room temperature to allow binding of the biotinylated peptide and associated BIR3 domains to the plate. After several washing steps Eu labeled anti-GST antibody (e.g. Perkin Elmer DELFIA Eu-N1-antiGST AD0250) was added to detect BIR3 domain-SMAC peptide interactions according to Perkin Elmer&#39;s instructions. Briefly, the antibody was added (dilution 1:5000 in Perkin Elmer DELFIA Assay Buffer 2013-01) and incubated for one hour. After 3 washing steps using Delfia Washing Buffer (Perkin Elmer DELFIA Wash 2013-05), Enhancement Solution (Perkin Elmer Enhancement Asolution 2013-02) was added and incubation continued for 10 minutes.
8499	1	Cholesteryl Ester Transfer Assay	As a protein source for cholesteryl ester transfer, plasma from healthy persons was used, and as a cholesteryl ester receptor, LDL from healthy persons was used. Samples were treated with each test compound to final concentrations of 16, 80, 400, 2000 and 10000 nM and analyzed in duplicate. For the cholesteryl ester transfer test, 20 &#956;l of plasma, 50 &#956;l of LDL (0.25 mg/ml) and 50 &#956;l of rHDL-agarose (0.25 mg/ml) were added, and a solution containing a test compound was added, followed by reaction at 37° C. Then, centrifugation was performed at 4° C. for 3 minutes to stop the reaction, and 150 &#956;l of the supernatant was taken and transferred to a 96-well plate for radioactivity measurement, and the radioactivity of the plate was measured with a beta-ray detector.
8500	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were transferred into a 384-well plate. Then 10 uL of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters Inhibition constants (Ki) are shown in TABLE 2 below and were determined using Wang's equation (Wang Z.-X. An Exact Mathematical Expression For Describing Competitive Binding Of Two Different Ligands To A Protein Molecule. FEBS Lett. 1995, 360:111-4).
8501	1	Biological Assay	Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer (50 mM sodium phosphate, pH 7.4) yielded a final DMSO concentration <=2%. Enzyme and compounds were set to pre-incubate in flat-bottomed microtiter plates for approximately 60 minutes before initiating the reaction by addition of a mixture of HRP, benzylamine and Amplex reagent. Fluorescence intensity was then measured at several time points (15 minutes, 20 minutes and 30 minutes) exciting at 544 nm and reading the emission at 590 nm). Final concentrations of the reagents in the assay wells were: SSAO enzyme 2 ug/ml, benzylamine 100 uM, Amplex reagent 20 uM, HRP 0.1 U/mL and varying concentrations of test compound. The inhibition was measured as % decrease of the signal compared to a control without inhibitor (only diluted DMSO). The background signal from a sample containing no SSAO enzyme was subtracted from all data points. Data was fitted to a four parameter logistic model and IC50 values were calculated using the GraphPad Prism 4 or XLfit 4 programs.
8502	1	Thallium Flux Assay	The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-Lysine microplates and kept in a 37&deg; C.-10% CO2 incubator overnight. On the day of the experiment, the growth media is replaced with the FluxOR reagent loading buffer and incubated, protected from light, at ambient temperature (23-25&deg; C.) for 90 min. The loading buffer is replaced with assay buffer test compound followed by 30 min incubation at ambient temperature, where the Thallium/Potassium stimulant is added to the microplate. Step Protocol 1. Seed HEK-hKir1.1 cells (50 ul at 20,000 cells/well) in 384-well PDL coated Microplates 2. Allow cells to adhere overnight in humidified 37&deg; C./10% CO2 incubator 3. Completely remove cell growth media from microplate and replace with 25 ul loading buffer 4. Incubate Microplate at room temperature, protected form light, for 90 min 5. Remove loading buffer and replace with 25 ul 1x Assay Buffer ±test compound. 6. Incubate microplate at room temperature, protected form light, for 30 min 7. At FLIPR-Tetra 384: Add stimulant (Thallium/Potassium) solution to microplate and monitor fluorescence. Excitation=400 nm, Emission=460 & 580 nm. Collect data for 10 min. Data Calculation: The fluorescence intensity of wells containing 3 uM of a standard control ROMK inhibitor of the present invention is used to define the ROMK-sensitive component of thallium flux. Fluorescence in the presence of test compounds is normalized to control values to provide % fluorescence change. IC50 values represent the concentration of compound that inhibits 50% of the ROMK thallium flux signal.
8502	2	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37&deg; C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 ml of Versene (Invitrogen 15040-066) for approximately 6 minutes at 37&deg; C. and suspended in 10 ml of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 ml of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4. Electrical access to the cytoplasm was achieved by perforation in 0.13 mg/ml amphotericin B for 4 minutes. Amphotericin B (Sigma A-4888) was prepared as a 40 mg/ml solution in DMSO.
8503	1	End Point Electrochemiluminescence (ECL) Assay	A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximated at 50 uM. A typical reaction contains approximately 0.6 nM enzyme, 0.25 uM of the substrate, and buffer (50 mM Pipes, pH 6.5, 0.1 mg/ml BSA, 0.2% CHAPS, 15 mM EDTA and 1 mM deferoxamine) in a total reaction volume of 100 ul. The reaction proceeds for 1-2 hrs and is then stopped by the addition of 150 uL of a quench cocktail solution (25 ul M Tris-HCl, pH 8.0, 50 ul INC buffer (2% BSA, 0.2% Tween-20 and 0.05% sodium azide diluted in Phosphate buffered saline (PBS) plus 75 uL PBS), containing Streptavidin coated magnetic beads and ruthenylated antibody which specifically recognizes the C-terminal residue of the product. The samples are subjected to M-384 (Igen Inc., Gaithersburg, Md.) analysis. Under these conditions, less than 10% of substrate is processed by BACE 1. The enzyme used in these studies is soluble (transmembrane domain and cytoplasmic extension excluded) human protein produced in a baculovirus expression system. To measure the inhibitory potency for compounds, 10 concentrations of inhibitors are prepared starting from 200 uM with three fold series dilution. Solutions of the inhibitor in DMSO are included in the reaction mixture (final DMSO concentration is 10%). All experiments are conducted at rt using the standard reaction conditions described above. To determine the IC50 of the compound, a four parameter equation is used for curve fitting. The errors in reproducing the dissociation constants are typically less than two-fold. In particular, the compounds of the following examples had activity in inhibiting the beta-secretase enzyme in the aforementioned assay, generally with an IC50 from about 1 nM to 200 uM. Such a result is indicative of the intrinsic activity of the compounds in use as inhibitors of beta-secretase enzyme activity.
8498	1	Electrophysiological Assay (In vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nav&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. Nav1.7 and Nav1.5 cDNAs (NM_00297
8504	2	Radioligand Binding Assay	human or rat P2X7-1321 N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l: 10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2009, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). 
8504	1	FLIPR Assay	1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 ul volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250 the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 uL of the compound into 300 uL of assay buffer. A further 3x dilution occurred when transferring 50 uL/well of the compound plate to 100 uL/well in the cell plate. Cells were incubate with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 uL/well of BzATP (final concentration is 250 uM BzATP (human and rat) or 600 (mouse)). The fluorescence change was measured 180 seconds after adding the agonist.
8505	1	Human Complement Factor D Assay	Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. 
8507	1	AlphaScreen cAMP Assay	MIN6 cells [Miyazaki J et al. Endocrinology. 1990 July; 127(1):126-32] are stably transfected with an expression vector for human GPR119 cDNA (Acc. No. NP_848566). Min-6/hGPR119 cells are cultured in DMEM, 10% FBS, 50 uM &beta;-mercaptoethanol, 0.3 mg/mL Geniticin, 2 mM GlutaMAX at 37&deg; C. 5% CO2. For the assay, the cells are seeded in Optiplates (white, 384-well, 160W-barcoded, TC, sterile with lid, Cat. No. #6007688 (Perkin Elmer); 10000 cells/well; 50 ul). The plates covered with lids are then incubated for 24 hours at 37&deg; C./5% CO2. After the medium is aspirated from the wells completely, 10 ul of the test compound are added, the compounds are diluted using stimulating buffer (140 mM NaCl, 3.6 mM KCl, 0.5 mM NaH2PO4, 0.5 mM MgSO4, 1.5 mM CaCl2, 10 mM Hepes, 5 mM NaHCO3; pH 7.4. 0.5 mM IBMX and 0.1% BSA, the final DMSO concentration is 1%). After 45 minutes incubation at room temperature (approx. 20&deg; C.), the cAMP concentrations are determined using the AlphaScreen cAMP Assay Kit (Cat. No. #6760625R from PerkinElmer). 10 ul of Biotin-cAMP (final concentration 1 U/well in lysing buffer (5 mM Hepes (pH 7.4), 0.1% BSA, 0.5% Tween) and 10 uL Bead solution (final concentration 1 U/well in lysing buffer) are added. The plates are incubated for another 2 hours at room temperature. The cAMP concentrations are calculated using a cAMP standard curve from the Alpha Screen Counts. The data analysis is carried out by calculating the EC50 value and the maximum value based on a positive control, using suitable software (Graphpad Prism).
8507	2	LANCE cAMP Assay	Quantitative detection of cAMP accumulation from cells expressing human GPR119 receptor is achieved using Perkin Elmer's LANCE cAMP-384 Kit (Cat#AD0264) according to the manufacturer's protocol. Briefly, HEK293 cells stably expressing a mutant form of the human GPR119 receptor as assay tool (Methionine 1 replaced with the amino acid sequence MKTIIALSYIFCLVFADYKDDDDA, and T327 & S329 changed to alanines; SEQ ID No. 1) are grown to 50-70% confluency in cell culture media (DMEM, 10% heat inactivated Fetal Bovine Serum, 50 I.U./mL penicillin, 50 ug/mL streptomycin, 10 mM HEPES, 20 ug/mL G418 Sulfate). On the day of the assay, GPR119 stable HEK293 cells are lifted from the tissue culture plate and 1000 cells/well are incubated along with various concentrations of test compounds for 20 min at 37&deg; C. Detection Buffer (50 mM HEPES, 10 mM calcium chloride, 0.35% Triton X-100, 1 mg/mL BSA) containing cAMP-specific antibody is then added to all wells and allowed to equilibrate in the dark for 10 minutes at room temperature. Upon equilibration, Detection Buffer containing europium-labeled cAMP tracer complex is added to all wells and allowed to react for 1 hour at room temperature. After 1 hour, bound europium-labeled cAMP tracer is measured using a Perkin Elmer Envision plate reader. The quantity of cAMP generated in each well is derived from a standard curve. EC50 is determined using nonlinear regression analysis of the cAMP values over a range of agonist concentration (12 points spanning the range from 30 uM to 100 pM).
8508	1	Pharmacological Assay	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are designed for studying the stimulation of human TLR8 or TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Therefore the reporter expression is regulated by the NF-&#954;B promoter upon stimulation of human TLR8 or TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple/blue in the presence of alkaline phosphatase. 
8509	1	Inhibitory Activity Assay	Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. SOC. 130, 14123-14128 (2008) and Yee, D. J., Balsanek, V., Bauman, D. R., Penning, T. M., and Sames, D., Proc. Natl. Acad. Sci. USA 103, 13304-13309 (2006)). In this test, the increase of the highly fluorescent Coumberol by NADPH (nicotinamide adenine dinucleotide phosphate)-dependent reduction of the non-fluorescent Coumberone by AKR1C3 can be determined.The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3) (GenBank Accession No. NM_003739). This was expressed in E. coli as GST (glutathione S transferase) fusion protein and purified by glutathione Sepharose affinity chromatography. The GST was removed by digestion with thrombin and subsequent size exclusion chromatography (Dufort, I., Rheault, P., Huang, X F., Soucy, P., and Luu-The, V., Endocrinology 140, 568-574 (1999)). For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2.0 ul of a solution of AKR1C3 in assay buffer [50 mM potassium phosphate buffer pH 7, 1 mM DTT, 0.0022% (w/v) Pluronic F-127, 0.01% BSA (w/v) and protease inhibitor cocktail (Complete, EDTA-free Protease Inhibitor Cocktail from Roche)] were added and the mixture was incubated for 15 min to allow pre-binding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 3 ul of a solution of NADPH (16.7 uM final concentration in 5 ul of assay volume is 10 uM) and Coumberone (0.5 uM final concentration in 5 ul of assay volume is 0.3 uM) in assay buffer, and the resulting mixture was incubated at 22 ° C. for the reaction time of 90 min. The concentration of the AKR1C3 was adapted to the respective activity of the enzyme preparation and adjusted such that the assay was carried out in the linear range. Typical concentrations were in the region of 1 nM. The reaction was stopped by addition of 5 ul of a stop solution consisting of the inhibitor EM-1404 [F. Labrie et al. U.S. Pat. No. 6,541,463, 2003] (2 uM final concentration in 5 ul of assay volume is 1 uM). The fluorescence of the Coumberole was then measured at 520 nm (excitation at 380 nm) using a suitable measuring instrument (Pherastar from BMG Labtechnologies). The intensity of the fluorescence was used as a measure of the amount of Coumberole formed and thus of the enzyme activity of AKR1C3. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components, but no enzyme=100% inhibition). Usually, the test substances were tested on the same microtiter plate at 11 different concentrations in the range from 20 uM to 96.8 pM (20 uM, 5.9 uM, 1.7 uM, 0.5 uM, 0.15 uM, 44 nM, 12.9 nM, 3.8 nM, 1.1 nM, 0.3 nM and 96.8 pM, the dilution series were prepared prior to the assay on the level of the 100-fold concentrated solution by serial 1:3 dilutions with 100% DMSO) in double for each concentration, and the IC50 values were calculated using a 4-parameter fit.
8509	2	Inhibitory Activity Assay	The inhibition of CYP17A1 by the test compounds was evaluated using a recombinant enzyme. Human CYP17A1 was expressed in E. coli (Ehmer, P. B. et al.; J. Steroid Biochem. Mol. Biol., 75, 57-63 (2000)). The microsomal fraction and 140 &#956;L of phosphate buffer (50 mM Na phosphate, 1 mM MgCl2, 0.1 mM EDTA, 0.1 mM dithiothreitol, pH 7.4) were preincubated separately with a mixture of progesterone (24.95 &#956;M) and 3H-progesterone (0.05 &#956;M, 101.3 Ci/mmol), 50 &#956;M of an NADPH regeneration system (in phosphate buffer with 10 mM NADP+, 100 mM glucose 6-phosphate and 2.5 U of glucose 6-phosphate dehydrogenase) and the appropriate test substances (in 5 &#956;l of DMSO) at 37° C. for 5 minutes. The reaction was started by addition of the enzyme and, after 30 minutes of incubation at 37° C., stopped by addition of 50 &#956;l of 1N hydrochloric acid.The steroids were extracted with ethyl acetate. After evaporation of the organic phase, the steroids were taken up in acetonitrile. 
8510	1	Enzymatic Assay	Endothelial lipase activity was measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Avanti Polar Lipids) as the excipient. Vesicles were prepared by combining 285 uL of 1 mMDMPG in a 1:1 mixture of MeOH and CHCl3 with 15 uL of 1 mM A10070 in a 1:1 mixture of MeOH and CHCl3. The mixture was dried under nitrogen and resuspended in 150 uL of 50 mM HEPES pH 8.0 buffer containing 100 mM NaCl and 0.2 mM EDTA. The sample was allowed to sit at rt for 15 min and then was sonicated 3x4 mins on ice with a Branson Sonicator using duty cycle 1. This preparation provides vesicles with a mole fraction of 0.05 for the FRET substrate.The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 uL of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 2 ul of a DMSO solution containing compound of interest. Conditioned media obtained from HT-1080 cells, which were transformed by RAGE technology (Athersys) to overexpress endogenous EL, was added and the reaction was allowed to incubate for 20 min at 37deg; C. with gentle agitation. The reaction was started by the addition of 20 uL of a 1:4 dilution of vesicles. The final total reaction volume was 100 uL. The reaction rates were measured on a Gemini plate reader with an excitation wavelength of 488 nm and a emission of 530 nm. Readings were taken every 20 seconds for 10 min with agitation between each reading. The slope of the linear portion of the readout was used to calculate the rate of the reaction.
8511	1	Inhibition Assay	To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin substrate is used for determining the enzymatic activity of human thrombin. Here, thrombin cleaves aminomethylcoumarin, which is measured fluorescently, from the peptic substrate. The determinations are carried out in microtitre plates.Substances to be tested are dissolved in various concentrations in dimethyl sulphoxide and incubated for 15 min with human thrombin (0.06 nmol/l dissolved in 50 mmol/l of Tris buffer [C,C,C-tris(hydroxymethyl)aminomethane], 100 mmol/l of sodium chloride, 0.1% BSA [bovine serum albumin], pH 7.4) at 22&deg; C. The substrate (5 umol/l Boc-Asp(OBzl)-Pro-Arg-AMC from Bachem) is then added. After 30 min of incubation, the sample is excited at a wavelength of 360 nm and the emission is measured at 460 nm. The measured emissions of the test batches with test substance are compared to the control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide) and the IC50 values are calculated from the concentration/activity relationships.
8512	1	AlphaLisa Binding Assay	His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (Millipore #12-379) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD4(BD1) (30 nM final) was combined with peptide (200 nM final) in 40 mM HEPES (pH 7.0), 40 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 1.2% DMSO) or compound dilution series in DMSO. After 20 minute incubation at room temperature Alpha streptavidin donor beads and AlphaLisa anti-Flag acceptor beads were added to a final concentration of 10 ug/mL each. After three hours equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit. 
8513	1	Homogeneous Time Resolved-fluorescence Resonance Energy Transfer (TR-FRET) Assay	LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is a homogeneous time resolved-fluorescence resonance energy transfer (TR-FRET) assay that measures phosphorylation of a fluorescein-labelled peptide substrate (fluorescein-LRRKtide, fluorescein-GAGRLGRDKYKTLRQIRQ) (SEQ ID NO 1) as a result of LRRK2 kinase activity. The phosphorylated peptide is recognized by a terbium-labelled phospho-specific anti-LRRKtide antibody and, subsequently, the phosphorylated LRRKtide can be quantified by the extent of TR-FRET between the terbium donor and fluorescein acceptor.The LRRK2 kinase is obtained from Invitrogen (Life Technologies Corporation) and comprises residues 970 to 2527 of the full length human wild-type LRRK2 kinase or a similar sequence with the G2019S mutation. As discussed above, this mutation increases the kinase activity relative to the wild-type. The kinase reactions are performed in a 20 uL volume in 384-well plates. The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 uM) for 30 minutes before the kinase reaction is initiated by addition of 1.3 mM ATP and 0.4 uM fluorescein-LRRKtide. The reaction mixture (20 ul total volume) is incubated for 2 hours at 30&deg; C. before the reaction is terminated by addition of 10 mM EDTA and 1 nM terbium-labelled anti-phospho-LRRKtide antibody (final volume 20 ul). The mixture is further incubated for 30 minutes at RT. TR-FRET is measured by excitation of the terbium-donor with 340 nm light and subsequent (delay time 100 us) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a time window of 1000 us. The measurement is repeated 10 times for fluorescein and 10 times for terbium emission with a 2000 us time window between repeats. TR-FRET measurements are performed on a Biomek Synergy plate. The TR-FRET signal is calculated as the emission-ratio at 520 nm over 495 nm.
8514	1	Inhibition Assay	The IC50 value of the inhibition of the cocrystal of I-D1-6 and L-proline prepared in Example 138 on SGLT2 and SGLT1 is measured according to the method recorded in the literature (Meng, W. et al, J. Med. Chem., 2008, 51, 1145-1149). 
8515	1	Biological Assay	TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate compounds to interact with TAK1-TAB1 is quantitated by a competitive binding assay using the LanthaScreen technology developed by Life Technologies. This assay is based on the binding of a proprietary, Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to the TAK1-TAB1 construct in presence of a europium-conjugated antibody, resulting in a FRET (fluorescence resonance energy transfer) signal. Displacement of the kinase tracer by compound results in a lower emission ratio upon excitation of the europium chelate. Candidate compounds are designed as potential irreversible inhibitors of TAK1-TAB1, capable of ligating to an active site cysteine residue. The time dependent nature of irreversible inhibition is investigated by performing the binding assay with and without a pre-incubation of compound and TAK1-TAB1. An increase in potency in the pre-incubated assay suggests the candidate compound could b of 10 nM TAK1-TAB1, 2 nM Eu-anti-his antibody, and 100 nM kinase tracer-236 using a 384-well plate format. Background signal is defined in the absence of TAK1-TAB1 and uninhibited signal is defined in the presence of vehicle (2% DMSO) alone. Compounds were evaluated in an 11 point dose-response ranging from 20 uM to 0.34 nM. The binding assays are performed under two conditions to evaluate time dependence of inhibition. For the pre-incubation assay, TAK1-TAB1 and Eu-anti-his antibody are preincubated with compound or vehicle for two hours prior to the addition of kinase tracer. The non-preincubated assay is run in which TAK1-TAB1 and Eu-anti-his antibody are added to a mixture of compound and kinase tracer. IC50 values of compounds are determined using a 4 parameter logistical fit of emission ratio as a function of the concentration of compound.
8516	1	Enzyme Assay	The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna Biosciences, Inc.As a substrate of the enzymes (hereinafter referred to as substrate), LANCE Ultra ULight-JAK-1 (Tyr1023) Peptide (manufactured by PerkinElmer Inc.) was used.As an antibody for detecting phosphorylation of the substrate, LANCE Ultra Europium-anti-phospho tyrosine antibody (PT66) (manufactured by PerkinElmer Inc.) was used.The other reagents were purchased from the following.Adenosine triphosphate (ATP): Sigma-Aldrich4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES): DOJINDO LABORATORIESGlycol ether diamine tetraacetic acid (EGTA): DOJINDO LABORATORIES Magnesium chloride (MgCl2): Wako Pure Chemical Industries, Ltd.Dithiothreitol (DTT): Wako Pure Chemical Industries, Ltd.Tween 20: Sigma-AldrichEthylenediaminetetraacetic acid (EDTA): DOJINDO LABORATORIESThe compounds of the present invention, the enzymes (JAK1, JAK2, JAK3 and Tyk2), the substrate and ATP were used for assay as diluted with assay buffer. As the assay buffer, one having the following composition was used. HEPES (pH7.5): 50 mM EGTA: 1 mM MgCl2: 10 mM DTT: 2 mM Tween 20: 0.01% (wt/wt). The dilute concentration and the addition amount on a well plate as described hereinafter were adjusted so that the following final concentrations were achieved on the well plate.
8517	1	Kinase Assay	The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme, substrates (fluoresceinated peptide FL-AHA-KRRRAL-PSER-VASLPGL-OH and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 30 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was incubated at room temperature for 22 hours and terminated by adding 45 ul of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the unphosphorylated substrate and phosphorylated product Inhibition data were calculated by comparison of the no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay were 200 pM CK1&epsilon; or CK1&delta;, 50 uM ATP, 1.5 uM FL-AHA-KRRRAL-PSER-VASLPGL-OH, and 1.6% DMSO. Dose response curves were generated to determine the concentration required to inhibit 50% of the kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
8518	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm^2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2KxG, 5 min at 4&deg; C.), the supernatant was aspirated and the pellets frozen and stored at -80&deg;C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 uM). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 uM almorexant. The total volume of each reaction is 200 uL (20 uL of diluted compounds, 80 uL of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 uL of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55&deg; C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
8518	2	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2KxG, 5 min at 40&deg; C.), the supernatant was aspirated and the pellets frozen and stored at -800&deg; C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 uM). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 uM almorexant. The total volume of each reaction is 200 uL (20 uL of diluted compounds, 80 uL of [3H]-EMPA diluted in PBS and 100 uL of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55&deg; C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
8519	1	LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 uM to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 uL) was dispensed, followed by the addition of 7.5 uL of 1x kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/uL (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 uL 1x kinase buffer containing 8 uM biotinylated "A5" peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ ID NO: 1), and 100 uM ATP. The final reaction in each well of 10 uL consists of 100 pM hBTK, 2 uM biotin-A5-peptide, and 25 uM ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1x quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
8520	1	Scintillation Proximity Assay	[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared from HEK-293 cells stably expressing recombinant H1 receptor (human). The incubation is initiated by the addition of a mixture of WGA PVT SPA beads (1 mg/well, Perkin Elmer (MA, USA) RPNQ0001) and 3 &#956;g membranes to assay buffer (67 mM Tris; pH 7.6) containing 3.5 nM [3H]-Pyrilamine and varying concentrations of the test compound (10 point concentration response curves). Non-specific binding is determined in the presence of 10 &#956;M Triprolidine. Samples are incubated for 4 hr. at room temperature (22° C.) and then read in a Microbeta Trilux.
8520	2	Scintillation Proximity Assay	[3H]-Ketanserin binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing recombinant 5-HT2A receptor (human). The incubation is initiated by the addition of a mixture of WGA YSi SPA beads (1 mg/well, Perkin Elmer (MA, USA), RPNQ0011) and 2 &#956;g membranes to assay buffer (67 mM Tris, 0.5 mM EDTA; pH 7.6) containing 3.1 nM [3H]-Ketanserin and varying concentrations of the test compound (10 point concentration response curves). Non-specific binding is determined in the presence of 20 &#956;M 1-(1-Naphthyl) piperazine. Samples are incubated for 4 hr. at room temperature (22° C.) and then read in a Microbeta Trilux.
8520	3	Scintillation Proximity Assay	[125I]-(±)DOI binding experiments are carried out in SPA 96-well format. Membranes used in this assay are prepared from AV-12 cells stably expressing recombinant 5-HT2C receptor (human). The incubation is initiated by the addition of a mixture of WGA PVT SPA beads (0.5 mg/well, Perkin Elmer (MA, USA), RPNQ0001) and 2.5 &#956;g membranes to assay buffer (50 mM Tris-HCl, 10 mM MgCl2, 0.5 mM EDTA, 10 &#956;M pargyline, 0.1% ascorbic acid, pH7.4) containing 0.2 nM [[125I]-(±)DOI and varying concentrations of the test compound (10 point concentration response curves). Non-specific binding is determined in the presence of 20 &#956;M 1-(1-Naphthyl) piperazine. Samples are incubated for 4 hr. at room temperature (22° C.) and then read in a Microbeta Trilux.
8520	5	Binding Assay or Functional Activity Assay	Further, the compounds of the invention may be tested in binding assays and functional activity assays by well known methods for other physiologically important receptors such as, but not limited to, the hERG channel, other serotonin receptors (specifically 5-HT1B, 5-HT1D, receptors, lack of agonist activity at 5-HT2B receptors, 5-HT2C, 5-HT5, 5-HT6, and 5-HT7 receptors), dopaminergic receptors (specifically D1, D2, and D3), GABAA receptors, adrenergic receptors and monoamine transporters.
8520	4	FLIPR Assay	Activity of compounds on native GABAA receptors is evaluated by monitoring calcium fluxes using a 96 well format FLIPR system (Fluorometric Imaging Plate Reader (FLIPR, Molecular Devices). Briefly, cortical embryonic neurons are dissociated from E18 rat embryos and plated at optimum density into black-walled, transparent bottom poly-D-lysine coated 96-well FLIPR plates. After loading the cells with a calcium sensitive dye (Fluo4-AM, Molecular Devices), the cells are bathed in a solution containing low chloride (chloride replaced by gluconate). Under these conditions activation of GABAA receptors causes an efflux of chloride ions (in the direction of the chemical gradient), which results in membrane depolarization and consequently activation of voltage gated calcium channels (VGCCs). Calcium influx through VGCCs is recorded and analysed offline using the FLIPR system. For a pharmacological validation of the assay, concentration response curves (CRC) are recorded for the standard agonist (GABA) and standard antagonist (Gabazine). Any effects are determined in CRC mode against a fixed concentration of agonist GABA at 10 uM (equivalent to an EC90 GABA response).
8521	1	Enzyme Binding Assays (Kinomescan)	Kinase enzyme binding activities of the compound disclosed herein may be determined using a proprietary assay which measures active site-directed competition binding to an immobilized ligand (Fabian, M. A. et al., Nature Biotechnol., 2005, 23:329-336). These assays may be conducted by DiscoverX (formerly Ambit; San Diego, Calif.). The percentage inhibition produced by incubation with a test compound may be calculated relative to the non-inhibited control.
8521	2	Enzyme Inhibition Assay	Method 2: This method follows the same steps as Method 1 below, but utilises a higher concentration of the p38 MAPK&alpha; protein (2.5 uL of 200 ng/mL protein instead of 2.5 uL of 80 ng/mL protein) for mixing with the test compound (tested at either 1 ug/mL, 0.1 ug/mL, 0.01 ug/mL or 0.001 ug/mL). Method 1: The inhibitory activities of test compounds against the p38 MAPK&alpha; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&alpha; protein (80 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL of either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL or 0.004 ug/mL) for 2 hr at RT. The mix solution (2.5 uL) of the p38&alpha; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 uM; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 uM, 2.5 uL), and appropriate ATP solution (2.5 uL, 400 uM) are then added to the enzymes/compound mixtures and the whole is incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
8521	3	Enzyme Inhibition Assay	The inhibitory activities of the compound of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
8521	4	Enzyme Inhibition Assay	Method 2: This method follows the same steps as Method 1 above, but utilises a shorter period of mixing of the test compound (105 minutes instead of 2 hours) with the GSK3-&alpha; protein. In addition, the concentrations of test compound employed are either 10 ug/mL, 1 ug/mL, 0.1 ug/mL, or 0.01 ug/mL. Method 1: The inhibitory activities of the compound of the invention against the GSK 3&alpha; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&alpha; protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3&alpha;, and ATP (40 uM, 2.5 uL) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
8522	1	Biochemical Assay	Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a biochemical fluorescenced polarization assay with isolated Syk kinase. In this experiment, Compounds were diluted to 1% DMSO in kinase buffer (20 mM HEPES, pH 7.4, 5 mM MgCl2, 2 mM MnCl2, 1 mM DTT, 0.1 mg/mL acetylated Bovine Gamma Globulin). Compound in 1% DMSO (0.2% DMSO final) was mixed with ATP/substrate solution at room temperature. Syk kinase (Upstate, Lake Placid N.Y.) was added to a final reaction volume of 20 uL, and the reaction was incubated for 30 minutes at room temperature. Final enzyme reaction conditions were 20 mM HEPES, pH 7.4, 5 mM MgCl2, 2 mM MnCl2, 1 mM DTT, 0.1 mg/mL acetylated Bovine Gamma Globulin, 0.125 ng Syk, 4 uM ATP, 2.5 uM peptide substrate (biotin-EQEDEPEGDYEEVLE-CONH2, SynPep Corporation). EDTA (10 mM final)/anti-phosphotyrosine antibody (1x final)/fluorescent phosphopeptide tracer (0.5x final) was added in FP Dilution Buffer to stop the reaction for a total volume of 40 uL according to manufacturer's instructions (PanVera Corporation) The plate was incubated for 30 minutes in the dark at room temperature. Plates were read on a Polarion fluorescence polarization plate reader (Tecan). Data were converted to amount of phosphopeptide present using a calibration curve generated by competition with the phosphopeptide competitor provided in the Tyrosine Kinase Assay Kit, Green (PanVera Corporation).
8523	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The activities were measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product resulted in a decrease in TR-FRET signal as the labeled fluorophore was displaced from the GRP-1 protein binding site. Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (75-500 uM), 2 uM PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&alpha;, PI3K&beta;, and PI3K&delta; between 25 and 50 uM, and PI3K&gamma; at 2 nM. The compounds of Table 1 and Compound X ((S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile) and Compound Y ((S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile) were added to the assay solution and incubated for 30 minutes at 25&deg; C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 us delay and 500 us read window). The results were normalized based on positive (1 uM wortmanin) and negative (DMSO) controls, and the IC50 values for PI3K &alpha;, &beta;, &delta; and &gamma; were calculated from the fit of the dose-response curves to a four-parameter equation.
8524	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 uM final concentration). Final volume of the reaction was 10 uL. Phosphorylation of the peptide was allowed to proceed for 45' at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20. Final volume of the quenching solution was 10 uL. The resulting HTRF signal was measured after 30 minutes on an EnVision (Perkin-Elmer) reader using a time-resolved fluorescence protocol.
8525	1	Enzymatic Inhibitory Activity Assay	    1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.    2. Compound was formulated in 100% DMSO in a concentration gradient, deposited to a 384-well plate to make final DMSO concentration of 1%.    3. PI3K&#945; and PI3K&#948; enzymes were diluted to be the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT. Transferred to a 384-well plate and incubated with the compound for a certain time.    4. Substrate was diluted to an optimum concentration with following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT, 50 &#956;M PIP2, Km ATP. The reaction was performed in a 384-well plate for 1 h at room temperature for PI3K&#945; and 2 hrs at room temperature for PI3K&#948;.    5. Read the conversion rate using Caliper Reader, and calculate the inhibition rate as the average of two tests.
8526	1	Inhibition Assay	Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid leukemia cells and activity was assayed using a method optimized from Cortijo et al (10, Cortijo 1993) and Nicholson et al. (11, Nicholson, 1991). Test article and/or vehicle was incubated with 0.2 mg of enzyme and 1 &#956;M cAMP containing 0.01 &#956;M [3H]cAMP in Tris buffer (50 mM Tris-HCl pH 7.5, 5 mM MgCl2) for 20 minutes at 25° C. The reaction was terminated by boiling for 2 minutes and the resulting AMP was converted to adenosine by addition of 10 mg/ml snake venom nucleotidase and further incubation at 37° C. for 10 min. Unhydrolyzed cAMP was bound to AG1-X2 resin, and the remaining [3H] adenosine in the aqueous phase was quantitated by scintillation counting. 
8527	1	High ATP Kinase Assay	A recombinant tagged FGFR-1 fusion protein [fusion of glutathione-S-transferase (GST) (N-terminally), His6-tag, thrombin cleavage site, and the intracellular part of human FGFR-1 from amino acids G400 to R800 as in GenBank entry NM_015850], expressed in SF9 insect cells using baculovirus expression system and purified via glutathione-agarose affinity chromatography, was purchased from Proqinase (product no. 0101-0000-1) and used as enzyme. As substrate for the kinase reaction, the biotinylated peptide biotin-Ahx-AAEEEYFFLFAKKK (C-terminus in amide form) was used which can be purchased, e.g., from Biosyntan (Berlin-Buch, Germany). Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 uM to 0.1 nM (e.g. 20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM, and 0.1 nM) in duplicates for each concentration. The dilution series was prepared separately prior to the assay as 100-fold concentrated stock solutions in DMSO; exact concentrations could vary depending on the pipettor used. For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 ul of a solution of the above FGFR-1 fusion protein in aqueous assay buffer [8 mM MOPS pH 7.0, 10 mM magnesium acetate, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumin (BSA), 0.07% (v/v) Tween-20, 0.2 mM EDTA] was added, and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compound to the enzyme. Then, the kinase reaction was started by the addition of 3 ul of a solution of adenosine triphosphate (ATP, 3.3 mM; final concentration in the 5 ul assay volume=2 mM) and substrate (0.16 uM; final concentration in the 5 ul assay volume=0.1 uM) in assay buffer, and the resulting mixture was incubated for a reaction time of 15 min at 22&deg; C. The concentration of FGFR-1 fusion protein was adjusted depending on the activity of the enzyme lot and was chosen appropriately to have the assay in the linear range (typical concentrations were in the range of 0.05 ug/ml). The reaction was stopped by the addition of 5 ul of a solution of HTRF detection reagents [25 nM streptavidin-XL665 (Cis Biointernational) and 1 nM PT66-Eu-chelate, an europium-chelate labelled anti-phosphotyrosine antibody (Perkin-Elmer; PT66-Tb-cryptate from Cis Biointernational may be used instead), in an aqueous EDTA solution (50 mM EDTA, 0.1% (w/v) BSA in 50 mM HEPES/NaOH pH 7.5)]. The resulting mixture was incubated for 1 h at 22&deg; C. to allow formation of the complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently, the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidin-XL665. For this, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader [e.g. Rubystar (BMG Labtechnologies, Offenburg, Germany) or Viewlux (Perkin-Elmer)]. The ratio of the emissions at 665 nm and at 620 nm was taken as the measure for the amount of phosphorylated substrate. Data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition), and IC50 values were calculated by a 4-parameter fit using an in-house software.
8527	2	TR-FRET Based Assay	A recombinant tagged FGFR-3 fusion protein [fusion of glutathione-S-transferase (GST) (N-terminally), His6-tag, thrombin cleavage site, and the intracellular part of human FGFR-3 from amino acids R397 to T806 as in NCBI/Protein entry NP_000133.1], expressed in SF9 insect cells using baculovirus expression system and purified via glutathione-S-transferase affinity chromatography, was purchased from Proqinase (product no. 1068-0000-1) and used as enzyme. As substrate for the kinase reaction, the biotinylated peptide biotin-Ahx-AAEEEYFFLFAKKK (C-terminus in amide form) was used which can be purchased, e.g., from Biosyntan (Berlin-Buch, Germany). Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 uM to 0.1 nM (e.g. 20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM, and 0.1 nM) in duplicates for each concentration. The dilution series was prepared separately prior to the assay as 100-fold concentrated stock solutions in DMSO; exact concentrations could vary depending on the pipettor used. For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 ul of a solution of the above FGFR-3 fusion protein in aqueous assay buffer [8 mM MOPS pH 7.0, 10 mM magnesium acetate, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumin (BSA), 0.07% (v/v) Tween-20, 0.2 mM EDTA] was added, and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compound to the enzyme. Then, the kinase reaction was started by the addition of 3 ul of a solution of adenosine triphosphate (ATP, 16.7 uM; final concentration in the 5 ul assay volume=10 uM) and substrate (0.8 uM; final concentration in the 5 ul assay volume=0.5 uM) in assay buffer, and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of FGFR-3 fusion protein was adjusted depending on the activity of the enzyme lot and was chosen appropriately to have the assay in the linear range (typical concentrations were in the range of 0.03 ug/ml). The reaction was stopped by the addition of 5 ul of a solution of HTRF detection reagents [100 nM streptavidin-XL665 (Cis Biointernational) and 1 nM PT66-Tb-cryptate, a terbium-cryptate labelled anti-phosphotyrosine antibody (Cis Biointernational; PT66-Eu-chelate from Perkin-Elmer may be used instead), in an aqueous EDTA solution (50 mM EDTA, 0.1% (w/v) BSA in 50 mM HEPES/NaOH pH 7.5)].
13112	1	Biochemical Assay for VPS34	Activity of VPS34 kinase was determined using an ADP-Glo kinase activity assay (Promega Corp). Assays were conducted in 384-well plates (5 μL assay volume) using 25 nM VPS34 (ThermoFisher Scientific), 100 μg/μL PI:3PS Lipid Kinase Substrate (Promega Corp.), and 1 mM ATP in kinase buffer. Inhibition of VPS34 was measured by adding serial diluted test compound (final assay concentration of 0.1% DMSO) followed by a 1-hour incubation at 37° C. ADP-Glo reagent was then added (5 mL) followed by a 40 min incubation at rt. Kinase detection reagent was then added (10 mL) and followed by a 60 min incubation at rt. Luminescence was then detected. The RLU at each compound concentration of was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using GeneData Screener software.
13113	1	HPK Kinase Activity Assay at 1 mM ATP	Compounds disclosed herein were tested for inhibition of HPK1 kinase (aa1-346, Life Technologies) activity in assays based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assays were carried out in 384-well low volume black plates in a reaction mixture containing HPK1 kinase (40 nM), 1 mM ATP, 0.5 μM STK1 substrate and 0-10 μM compound in buffer containing 50 mM HEPES, 0.01% BSA, 0.1 mM Orthovanadate, 10 mM MgCl2, 1 mM DTT, pH=7.0, 0.005% Tween-20. The kinase was incubated with the compounds disclosed herein or DMSO for 60 minutes at room temperature and the reaction was initiated by the addition of ATP and STK1 substrate. After reaction at room temperature for 120 minutes, an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (CisBio). The stop/detection solution contained STK Antibody-Cryptate and XL665-conjugated streptavidin in Detection Buffer. The TR-FRET signals (ratio of fluorescence emission at 665 nm over emission at 620 nm with excitation at 337 nm wavelength) were recorded on a PHERAstar FS plate reader (BMG Labtech). Phosphorylation of STK1 substrate led to the binding of STK Antibody-Cryptate to the biotinylated STK1 substrate, which places fluorescent donor (Eu3+ crypate) in close proximity to the accepter (Streptavidin-XL665), thus resulting in a high degree of fluorescence resonance energy transfer. The inhibition of HPK1 in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm.
13114	1	SAMR1 (50-724) Enzymatic Assay	The enzymatic assay was performed in a 384-well plate using Dulbecco&#39;s PBS buffer as the reaction buffer. Purified SARM1 (50-724) with a final concentration of 2 nM was pre-incubated with the test compound at 1% DMSO final assay concentration for 15 min at room temperature. The reaction was initiated by adding the mixture of 200 μM NMN as activator and 100 μM NAD+ as substrate. After 1 h of incubation at room temperature, the reaction was terminated with 10 times volume of 70% acetonitrile, then centrifuged at 3800 rpm for 10 min. The samples were analyzed using LC-MS/MS after diluted to the proper concentration by 10 mM ammonium acetate (pH 9.75).
8529	1	Enzymatic Chymase Assay	The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for chymase is Abz-HPFHL-Lys(Dnp)-NH2. For the assay, 1 ul of a 50-fold concentrated solution of test substance in DMSO, 24 ul of enzyme solution (dilution 1:80 000 human or 1:4000 hamster) and 25 ul of substrate solution (final concentration 10 uM) in assay buffer (Tris 50 mM (pH 7.5), sodium chloride 150 mM, BSA 0.10%, Chaps 0.10%, glutathione 1 mM, EDTA 1 mM) were combined in a white 384-hole microtitre plate (Greiner Bio-One, Frickenhausen, Germany). The reaction is incubated at 32 degrees for 60 min and the fluorescence emission at 465 nm after excitation at 340 nm is measured in a fluorescence reader, for example Tecan Ultra (Tecan, Minnedorf, Switzerland).One test compound is tested on the same microtitre plate in 10 different concentrations from 30 uM to 1 nM in a double determination. The data are normalized (enzyme reaction without inhibitor=0% inhibition, all assay components without enzyme=100% inhibition) and IC50 values are calculated using in-house software. Compounds in the context of the invention which were tested in this assay inhibited chymase activity with an IC50 of less than 10 uM.
8530	1	Activity Assay	Stock solution of substrate (Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) was prepared in DMSO at a concentration of 6 mM. Assays were performed in an assay buffer (50 mM Tris pH 7.5, 300 mM NaCl, 10 uM ZnSO4, 5 mM CaCl2, 0.005% Brij-35). The final DMSO concentration in all assays was 1.0%. The used substrate concentration was 3.33 uM. The assays were carried out at 37&deg; C. The fluorescence changes, resulting from the substrate cleavage, were detected using excitation at 340 nm and emission wavelength of 405 nm using a Wallac 1420 Microplate Reader. The reaction mixtures were preincubated with the inhibitors for 30 minutes. The reactions were started by the addition of MMP substrate, and the fluorescence intensity changes were measured after 60 minutes. The obtained fluorescence values were normalized and % inhibition values calculated. Dose response curves were determined from 6 concentration points using three fold dilution steps, each concentration point was determined in dupllicate. IC50 values were calculated from the dose response curves. FIGS. 1-4 show the dose response curves of Compound 1 and ilomastat on on MMP1, -2, -9, -13 activities respectively.
8531	1	Human Complement Factor D Assay	Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration.
8532	1	Inhibition Assay	The functional activity of a test compound was determined by measuring change in intracellular calcium concentration using a calcium sensitive fluorescent dye. The change in fluorescent signal was measured by the cell imaging technology by Hamamatsu Photonics's Functional Drug Screening System (FDSS). Increase in intracellular calcium concentration was readily detected upon activation with menthol. HEK293 cells stably expressing human TRPM8 were grown in a flask. On assay day, the culture medium was removed from the flask, and cells were washed with phosphate-buffered saline (PBS) and harvested with PBS containing 2 mmol/L of ethylenediaminetetraacetic acid disodium salt (EDTA-2Na). The cells were then incubated with assay solution containing 3 umol/L of Fura-2AM and 0.01% Pluronic F-127 for 60 minutes. Subsequently, suspended 20,000 to 50,000 cells per well were incubated with a test compound (at varying concentrations) in each well at 37&deg; C. for 20 minutes. Change in intracellular calcium concentration evoked by 100 umol/L of menthol was measured for 2 minutes using FDSS. The 50% inhibitory concentration (IC50 value) was determined from four-point concentration-response studies. The concentration-response curve was generated using the average of quadruplicate wells for each data point.
8533	1	TR-FRET Assay	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&gamma;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&gamma;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&gamma;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing any recombinant protein were lysed and the lysate was added to the purified ROR&gamma;-LBD at 0.25 ul lysate (from 10,000 SF9 cells)/nM purified protein. The mixture was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT) to obtain ROR&gamma;-LBD final concentration of 3 nM in 384-well assay plate. Compounds to be tested were injected to the assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.). A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) (SEQ ID NO:2) was prepared in assay buffer and added to each well (100 nM final concentration). A solution of Europium tagged anti-HIS antibody (1.25 nM final concentration) and APC conjugated streptavidin (8 nM final concentration) were also added to each well. The final assay mixture was incubated overnight at 4&deg; C., and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 us, integration time=200 us). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
8534	1	Radioligand Binding Assay	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4&deg; C., frozen and stored at -80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000xg for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at -80&deg; C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3xKd in nM and 500 ul of the membranes (resuspended at 50 ug protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4&deg; C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 ul of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8534	2	Radioligand Binding Assay	HEK-293 cells stably expressing rat TAAR1 were maintained at 37&deg; C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56&deg; C.), penicillin/streptomycin (1%), and 375 ug/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4&deg; C., frozen and stored at -80&deg; C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000xg for 30 min at 4&deg; C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at -80&deg; C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3xKd in nM and 500 ul of the membranes (resuspended at 60 ug protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4&deg; C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 ul of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
8536	1	Inhibition Assay	MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 296 (3), (1992), 263-266), using an assay buffer comprising of 50 mM Tris-HCl, pH 7.6, 200 mM NaCl, 5 mM CaCl2 and 1 uM ZnSO4. A concentration of MMP inhibitor of the present invention was tested (1 microMolar) in duplicate runs. Catalytic domain of MMP-13 (human recombinant) enzyme was then added to the compound solution. The mixture of enzyme and compound in assay buffer was then thoroughly mixed and incubated for 60 minutes at 37&deg; C. Upon the completion of incubation, the assay was then started by the addition of 10 uM of fluorescent substrate Mca-P-L-G-L-Dpa-A-R-NH2. The fluorescent product, McaPLG, was then measured at an excitation wavelength of 355 nm and emission wavelength of 405 nm using an automatic plate multireader at 37&deg; C. A positive control was also run separately using the broad spectrum MMP inhibitor GM6001 as a control compound. Any inhibition <50% is considered not active under these assay conditions. Table 22 summarizes the results of the single concentration inhibition study. The time-dependent increase in fluorescence is measured at the 355 nm excitation and 405 nm emission by automatic plate multireader. The IC50 values for MMP-13 inhibition are then calculated from the initial reaction rates.
8537	1	JAK1 Inhibition Assay	Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with 20 nM Ulight-JAK1(tyr1023) peptide (Perkin Elmer catalog number TRF0121) in kinase reaction buffer (25 mM MOPS pH6.8, 0.016% Brij-35, 8.33 mM MgCl2, 3.33 mM DTT, 7 uM ATP) with or without 4 uL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 20 uL, in a white 384 Luminotrac 200 plate (Greiner, catalog number 781075). After 60 min at room temperature, reactions were stopped by adding 20 uL/well of detection mixture (1x detection buffer (Perkin Elmer, catalog number CR97-100C), 0.5 nM Europium-anti-phosphotyrosine (PT66) (Perkin Elmer, catalog number AD0068), 10 mM EDTA). Readout is performed using the Envision with excitation at 320 nm and measuring emission at 615 nm (Perkin Elmer). Kinase activity was calculated by subtracting relative fluorescence units (RFU) obtained in the presence of a positive control inhibitor (10 uM staurosporine) from RFU obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as: Percentage inhibition=((RFU determined for sample with test compound present-RFU determined for sample with positive control inhibitor) divided by (RFU determined in the presence of vehicle-RFU determined for sample with positive control inhibitor))*100. Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the JAK1 assay and the calculation of the IC50 for the compound. Each compound is routinely tested at concentration of 20 uM followed by a 1/5 serial dilution, 8 points (20 uM-4 uM-800 nM-160 nM-32 nM-6.4 nM-1.28 nM-0.26 nM) in a final concentration of 1% DMSO. When potency of compound series increases, more dilutions are prepared and/or the top concentration are lowered (e.g. 5 uM, 1 uM). The data are expressed as the average IC50 from the assays+standard error of the mean.
8537	2	JAK2 Inhibition Assay	Recombinant human JAK2 (catalytic domain, amino acids 866-1154; catalog number PV4210) was purchased from Invitrogen. 0.0125 mU of JAK2 was incubated with 25 nM Ulight-JAK1(tyr1023) peptide (Perkin Elmer catalog number TRF0121) in kinase reaction buffer (41.66 mM HEPES pH7.0, 0.016% Triton X-100, 12.5 mM MgCl2, 3.33 mM DTT, 7.5M ATP) with or without 4L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 20L, in a white 384 Luminotrac 200 plate (Greiner, catalog number 781075). After 60 min at room temperature, reactions were stopped by adding 20L/well of detection mixture (1x detection buffer (Perkin Elmer, catalog number CR97-100C), 0.5 nM Europium-anti-phosphotyrosine (PT66) (Perkin Elmer, catalog number AD0068), 10 mM EDTA). Readout is performed using the Envision with excitation at 320 nm and measuring emission at 615 nm (Perkin Elmer). Kinase activity was calculated by subtracting relative fluorescence units (RFU) obtained in the presence of a positive control inhibitor (10M staurosporine) from RFU obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as: Percentage inhibition=((RFU determined for sample with test compound present-RFU determined for sample with positive control inhibitor) divided by (RFU determined in the presence of vehicle-RFU determined for sample with positive control inhibitor))*100. Dose dilution series are prepared for compound enabling the testing of dose-response effects in the JAK2 assay and the calculation of the IC50 for the compound. Each compound is routinely tested at concentration of 20M followed by a 1/5 serial dilution, 8 points (20M-4M-800 nM-160 nM-32 nM-6.4 nM-1.28 nM-0.26 nM) in a final concentration of 1% DMSO. When potency of compound series increases, more dilutions are prepared and/or the top concentration are lowered (e.g. 5M, 1M). The data are expressed as the average IC50 from the assays standard error of the mean.
8537	3	JAK3 Inhibition Assay	Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated with 2.5 ug polyGT substrate (Sigma catalog number Pb0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerolphosphate, 0.01% Triton X-100, 1 uM non-radioactive ATP, 0.25 uCi 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 uL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 uL, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 min at 30&deg; C., reactions were stopped by adding of 25 uL/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 uL per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 uL/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 uM staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as: Percentage inhibition=((cpm determined for sample with test compound present-cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle-cpm determined for sample with positive control inhibitor))*100. Dose dilution series were prepared for the compound enabling the testing of dose-response effects in the JAK3 assay and the calculation of the IC50 for the compound. Each compound was routinely tested at concentration of 20 uM followed by a 1/3 serial dilution, 8 points (20 uM-6.67 uM-2.22 uM-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of the compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 uM, 1 uM). The data are expressed as the average IC50 from the assays standard error of the mean.
8537	4	TYK2 Inhibition Assay	Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubated with 12.5 ug polyGT substrate (Sigma catalog number Pb0275) in kinase reaction buffer (25 mM Hepes pH 7.5, 100 mM NaCl, 0.2 mM Na3VO4, 0.1% NP-40, 0.1 uM non-radioactive ATP, 0.125 uCi 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 uL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 uL, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30&deg; C., reactions were stopped by adding of 25 uL/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 uL per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 uL/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 uM staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as: Percentage inhibition=((cpm determined for sample with test compound present-cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle-cpm determined for sample with positive control inhibitor))*100. Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the TYK2 assay and the calculation of the IC50 for the compound. Each compound was routinely tested at concentration of 20 uM followed by a 1/3 serial dilution, 8 points (20 uM-6.67 uM-2.22 uM-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 uM, 1 uM).
8528	1	Enzyme Inhibition Assay	Method 2: This method follows the same steps as Method 1 above, but utilises a higher concentration of the p38 MAPK&alpha; protein (2.5 uL of 200 ng/mL protein instead of 2.5 uL of 80 ng/mL protein) for mixing with the test compound (tested at either 1 ug/mL, 0.1 ug/mL, 0.01 ug/mL or 0.001 ug/mL). Method 1: The inhibitory activities of test compounds against the p38 MAPK&alpha; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activationphosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&alpha; protein (80 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL of either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL or 0.004 ug/mL) for 2 hr at RT. The mix solution (2.5 uL) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 uM; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 uM, 2.5 uL). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Vanoskan Flash, ThermoFisher Scientific).
8528	2	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
8528	3	Enzyme Inhibition Assay	Method 2: This method follows the same steps as Method 1 above, but utilises a shorter period of mixing of the test compound (105 minutes instead of 2 hours) with the GSK3-&alpha; protein. In addition, the concentrations of test compound employed are either 10 ug/mL, 1 ug/mL, 0.1 ug/mL, or 0.01 ug/mL. Method 1: The inhibitory activities of compounds of the invention against the GSK 3&alpha; enzyme isoform (Invitrogen), are evaluated by determining the level of activation I phosphorylation of the target peptide. The GSK3-&alpha; protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3&alpha;, and ATP (40 uM, 2.5 uL) are then added to the enzymecompound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
8528	4	Inhibition Assay	Summary of CYP3A4 inhibition studies for various Compound Examples using 0 min preincubation.
8528	5	Inhibition Assay	Summary of CYP3A4 inhibition studies for various Compound Examples using 30 min preincubation.
8528	6	Inhibition Assay	Summary of CYP2C9 inhibition studies for various Compound Examples using 0 min preincubation.
8528	7	Inhibition Assay	Summary of CYP2C9 inhibition studies for various Compound Examples using 30 min preincubation.
8528	8	Inhibition Assay	Compounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen Bioscience (Welwyn Garden City, England).
8538	1	Inhibitory Activity Assay	A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula. inhibitory rate (%)=(1-(test compound count-blank)/(control-blank))x100 The count of the LSD1 enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and LSD1 enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
8538	2	Inhibitory Activity Assay	The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1-(test compound count-blank)/(control-blank))x100The count of the MAO-A enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-A enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
8538	3	Inhibitory Activity Assay	The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 uL) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1-(test compound count-blank)/(control-blank))x100The count of the MAO-B enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-B enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
8539	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3x the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 ul of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 ul in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined um value of 8 uM for the QSY7-APPswe-Eu substrate at BACE1.
8539	2	Time-Resolved Endpoint proteolysis Assay	Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3x the desired final concentration in 1xBACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1xBACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30&deg; C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 uM for 4 uM for autoBACE-2) prepared in 1xBACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30&deg; C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 us delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation.
8540	1	In Vitro AKT1 Kinase Assay	This assay detects inhibitors of AKT1 (PKB&alpha;) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay uses a microfluidic chip to measure the conversion of a fluorescent labelled peptide to a phosphorylated product by a respective kinase. The complete enzyme reaction is carried out in microtitre plates and then quenched. The resulting stopped solutions are serially "sipped" through a capillary onto the chip, where the peptide substrate and phosphorylated product are separated by electrophoresis. They are then detected via laser-induced fluorescence. Substrate and product are separated into two peaks by the application of a high electric field and directly detected using fluorescence. The signature of the fluorescent signal reveals the extent of the reaction.For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Labcyte 384 well plate. A 1 in 100 dilution was made from quadrant 1 into quadrant 2 by removing 0.4 ul and adding it to 39.6 ul of DMSO. Subsequent 1 in 100 dilutions were made into quadrant 3 from quadrant 2 and quadrant 4 from quadrant 3. Multiple 2.5 nl droplets were dispensed from each quadrant of the master plate using ECHO dosing technology (Labcyte Inc. Sunnyvale, Calif., USA) to generate the dose range that was required in the test. The dose range most commonly used was as follows: 100 uM, 30 uM, 10 uM, 3 uM, 1 uM, 0.3 uM, 0.1 uM, 0.03 uM, 0.01 uM, 0.003 uM, 0.001 uM, 0.0001 uM. Each well was backfilled with Dimethyl Sulphoxide (DMSO) to a total volume of 120 nl, such that when the enzyme and substrate mix was added the final DMSO concentration was 1%. DMSO was added to max control wells as 120 nl, minimum control wells were treated with 120 nl of compound at a concentration that inhibited the enzyme activity 100%. Following addition of compound or control to the assay plate, 6 ul peptide mix containing 3 uM substrate (5-FAM-GRPRTSSFAEG-CONH2; CRB) and 40 uM ATP in Kinase base buffer (100 mM Hepes pH 7.5, 0.015% Brij-35) and 6 ul enzyme mix containing 8 nM AKT1/PKB&alpha; active enzyme (Upstate Biotechnology, Cat No. 14-276), 8 mM DTT and 20 mM MgCl2 in kinase base buffer was added. All buffers were made up with 18M water. The plates were sealed and incubated at room temperature for 50 minutes. The reaction was stopped by the addition of 10 ul stop buffer (100 mM Hepes pH 7.5, 0.015% Brij-35 solution, 0.1% coating reagent #3, 40 mM EDTA, 5% DMSO) to each well (N.B. plates can be frozen after stopping and read later). The plates were then analysed using the Caliper LabChip LC3000 Drug Discovery System (Caliper Life Sciences, 1 Wellfield, Preston Brook, Runcorn, WA7 3AZ) using the following separation conditions; -1.8 PSI, -500 upstream voltage, -1700 downstream voltage, sample sip time of 0.2 sec, post sample sip time of 30 sec and a final delay of 120 sec. Integration of the substrate and product peaks was carried out using Caliper LabChip software and IC50 curves were calculated using Origin software (OriginLab Corporation, Northampton, Mass., USA).
8541	1	Fluorescent Imaging Plate Reader (FLIPR) Assay	Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by Fluorescent Imaging Plate Reader (FLIPR) technology available from Molecular Devices, LLC, U.S.A. Orexin mediated increases in intracellular Ca2+ concentration were readily detected upon activation with orexin-A. Twenty-four hours prior to the assay, RBL-2H3 cells stably expressing either human orexin receptor 1 or human orexin receptor 2 were seeded in cell culture medium in black, clear-bottom 384-well plates (commercially available from Corning Inc., U.S.A.) and grown overnight at 37&deg; C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (commercially sold by Molecular Devices, LLC, U.S.A.) for 1 hour at 37&deg; C., 5% CO2. Test compounds (at 10 point half log concentration response curves from 10 uM) were added to cells for 15 minutes prior to the addition of orexin-A to all wells, to achieve a final concentration that produces approximately an 80% maximal response. The IC50 values were determined from ten point concentration response curves. Curves were generated using the average of two wells for each data point.
8542	1	Inhibition Assay	A fusion protein comprising glutathione S transferase (GST) and human IRE-1&alpha; (GST-IRE-1&alpha;) obtained from a 500 ml baculovirus-infected insect cell culture can be used to measure IRE-1&alpha; activity in vitro.Five ul of a reaction mixture comprising 1x reaction buffer (5x reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water is added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution are added to test wells. Three ul of a 128 ng/ml IRE-1&alpha; preparation are added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contain only reaction mixture and test compound.After spinning the plates at 1200 rpm for 30 seconds, 3 ul of an IRE-1&alpha; human mini-XBP-1 mRNA stem-loop substrate 5'-CAGUCCGCAGCACUG-3' (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5' end and Black Hole Quencher 2 (BH2) at the 3' end, are added to each well of a control plate. The plates are again spun at 1200 rpm for 30 seconds. Final concentrations for the assay are: 63 nM IRE-1&alpha; substrate, 5.82 ng IRE-1&alpha; protein, and 2.5 uM test compound. The plates are covered with lids and incubated for one hour at 30&deg; C. The plates are then transferred to an ACQUEST microplate reader. Data is analyzed using data analysis software, and the percent activity of IRE-1&alpha; is calculated.
8543	1	Km ATP LanthaScreen Assay	a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 ul of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1x assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 ul of 800 nM fluorescein labeled LRRKtide peptide substrate and 186 uM ATP solution in 1x assay buffer to all wells. d) After a 60 minute room temperature incubation, 20 ul of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with Lantha Screen settings.
8543	2	5 mM ATP LanthaScreen Assay	a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 ul of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1x assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1.0 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 ul of 800 nM fluorescein labeled LRRKtide peptide substrate and 10 mM ATP solution in 1x assay buffer to all wells. d) After a 35 minute room temperature incubation, 20 ul of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with LanthaScreen settings.
8544	1	Biochemical HTRF Assay	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 mL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 uL of 1.11x enzyme and 1.11x substrate in 1x assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 uL of 10xATP in 1x assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 uL of 2x stop buffer (streptavidin-Dylight 650 (Thermo # 8454713/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (&lambda;ex=337 nm, &lambda;em=665 and 615 nm, TRF delay time=20 us). HTRF signal=10,000*665 nm reading/615 nm reading. After normalization to untreated controls, the percent inhibition of the HTRF signal at each compound concentration was calculated. The plot of percent inhibition versus the log of compound concentration was fit with a 4-parameter dose response equation to calculate IC50 values.
8545	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Immunoassay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 uL reaction mixture contained 20 uM ATP, 1 uM biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 uL of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm).
8546	1	Biochemical Assay	The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymatic activity using the Class IIa selective substrate, Boc-Lys(Tfa)-AMC. The substrate is deacetylated to Boc-Lys-AMC by HDAC4. Cleavage by trypsin results in the release of the fluorophore AMC from the deacetylated substrate. The fluorescence of the sample is directly related to the histone deacetylase activity in the sample. 2 ul (200x) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypropylene 384-well compound plates using either the Bravo (384-well head from Agilent) or 12.5 ul 16-channel Matrix multi-channel pipette (Matrix Technologies Ltd). Each well with the 200x compound solution is diluted 1:20 by the addition of 38 ul assay buffer+DMSO (10.5% DMSO, 45 mM Tris-HCl, 123 mM NaCl, 2.4 mM KCl, and 0.9 mM MgCl2 at pH 8.0 and equilibrated to room temperature) just prior to the addition of the enzyme to the assay.
8547	1	PPlase Assay	The assay was conducted at 10° C. in 50 mM Tris buffer at pH8.0, 50 &#956;M DTT, 100 mM NaCl, 0.005% NP40 with 6 nM FKBP12 and 60 &#956;M substrate (SUC-ALPF-pNA, diluted from 20 mg/ml stock in 0.5M LiCl/TFE). The Km for the substrate was determined to be approximately 188 &#956;M. The first order rate equation was fitted to the absorbance data to obtain a rate constant.
8548	1	Biological Activity Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. 
8549	1	In Vitro Assay	Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/L and 20 mM HEPES. On the day of the assay, 50 uL of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/L, 5 mM probenecid (Sigma) and 3 uM of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37&deg; C. in 5% CO2 followed by equilibration at rt for 30 min before measurement.Within the Fluorescent Imaging Plate Reader (FLIPR Tetra, Molecular Devices), antagonists are added to the plate in a volume of 10 uL/well, incubated for 120 min and finally 10 uL/well of agonist is added. Fluorescence is measured for each well at 1 second intervals, and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 3 nM orexin-A with vehicle in place of antagonist. The IC50 value (the concentration of compound needed to inhibit 50% of the agonistic response) is determined and may be normalized using the obtained IC50 value of an on-plate reference compound. Optimized conditions were achieved by adjustment of pipetting speed and cell splitting regime. The calculated IC50 values may fluctuate depending on the daily cellular assay performance. Fluctuations of this kind are known to those skilled in the art. In the case where IC50 values have been determined several times for the same compound, the geometric mean has been given.
8551	1	AlphaScreen Assay	BACE1 activity can be assessed in an AlphaScreen assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially diluted 1:4 in DMSO, then plated by diluting 10 &#956;L of compound with 40 &#956;l of assay buffer (1×PBS, 0.01% Tween-20, pH 7.0, 0.05% BSA). The diluted compound is transferred (4 &#956;L per well) to a 386 well assay plate and 4 &#956;L of BACE1 enzyme (20 mg/mL) is added and incubated for 15 minutes. This assay uses a probe that is a BACE1 binding sight ligand linked to biotin, which can be displaced by test compound dependent on compound binding affinity. This of biotinylated probe (4 &#956;L) is added and incubated for 1 hour, followed with 4 &#956;L of donor and acceptor bead mixture and incubated for 2 hours. The fluorescent signal is read on a plate reader and the value as a function of compound concentration is used to determine the IC50. 
8551	2	FP Assay	Compounds are also assessed for BACE1 and Cathepsin D activity using an FP Assay. Compounds to be assessed (e.g. compounds as described in the above examples) are serially diluted 1:3 with DMSO and each concentration point is transferred to a 96 well plate, 6 uL per well, followed by addition of 194 uL of assay buffer (100 mM sodium acetate, pH 4.5 with 0.001% Tween-20). A 10 uL compound sample from this plate is transferred to a well of a 384 well plate and combined with 10 uL per well of BACE1 enzyme (0.3 nM in assay buffer) or Cathepsin D enzyme (1.8 nM in assay buffer) and the plate is incubated at room temperature for 30 minutes. Substrate (0.45 uM for BACE1 or 0.45 nM for Cathepsin D in assay buffer) is added, 10 uL per well, and the plate is incubated at 37&deg; C., 3 hours for BACE1 or 2 hours for Cathepsin D. The reaction is stopped by adding 30 uL per well of cold 1.5 uM Streptavidin Immunopure and incubated for 15 minutes at room temperature and the fluorescent signal determined, excitation 485-20 and Emission 530-25, and the value as a function of compound concentration is used to determine the IC50.
8552	1	In Vitro Assay	A reliable 96-well plate D-amino acid oxidase (DAAO) assay was developed based on previously published reports (J. Biol. Chem. 277: 27782 (2002)). Briefly, D-serine (5 mM) was oxidatively deaminated by human recombinant D-amino acid oxidase in the presence of molecular oxygen and flavin adenosine dinucleotide (FAD, 1 &#956;M), to yield the corresponding &#945;-keto acid, ammonia and hydrogen peroxide. The resulting hydrogen peroxide was quantified using horseradish peroxidase (0.01 mg/mL) and o-phenylenediamine (180 &#956;g/mL), which displays a defined yellow absorbance at 411 nm when it becomes oxidized. All reactions were carried out for 20 min at room temperature in a 100-&#956;L volume in Tris buffer (50 mM, pH 8.5). Additionally, stock solutions and serial dilutions of potential DAO inhibitors were made in 10:90 DMSO:buffer with a final assay DMSO concentration of 1%. 
8553	1	Inhibition Assay	To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1:3) from 200 uM to 0.091 uM are prepared (resulting final concentrations in the test: 4 uM to 0.0018 uM). In each case 2 ul of the diluted substance solutions are placed into the wells of microtitre plates (Isoplate-96/200W; Perkin Elmer). Subsequently, 50 ul of a dilution of the above-described PDE 5 preparation are added. The dilution of the PDE 5 preparation is chosen such that during the later incubation less than 70% of the substrate are converted (typical dilution: 1:100; dilution buffer: 50 mM Tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H] cyclic guanosine-3',5'-monophosphate (1 uCi/ul; Perkin Elmer) is diluted 1:2000 with assay buffer (50 mM tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA) to a concentration of 0.0005 uCi/ul. By addition of 50 ul (0.025 uCi) of the diluted substrate, the enzyme reaction is finally started. The test mixtures are incubated at room temperature for 60 min and the reaction is stopped by adding 25 ul of a suspension of 18 mg/ml yttrium scintillation proximity beads in water (phosphodiesterase beads for SPA assays, RPNQ 0150, Perkin Elmer). The microtitre plates are sealed with a film and left to stand at room temperature for 60 min. Subsequently, the plates are analysed for 30 s per well in a Microbeta scintillation counter (Perkin Elmer). IC50 values are determined using the graphic plot of the substance concentration against percentage PDE 5 inhibition.
8554	1	Binding Assay	The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to the corresponding receptors according to methods adapted from Mulheron (1994), Bryant (1996), Choi (1994), Hope (1996), Mialet (2000), Rees (1994) and Shen (1993). 
8555	1	Enzymatic Activity Assay	Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 minutes. 
8556	1	Ellman Assay	The modified Ellman assay for inhibition of acetylcholinesterase (AChE) and the mouse ear vesication assay (MEVA) have been described in detail by us (see S. C. Young et al, J Appl Tox, 2012, 32: 135-141). AChE (Type V-S from electrophorus electricus), acetylthiocholine iodide (ATChI), 5,5&#8242;-dithiobis(2-nitrobenzoic acid) (DTNB) and tacrine from EMD Chemicals (Gibbstown, N.J.). Cholinesterase inhibition was assayed spectrophotometrically at 412 nm according to Ellman&#39;s method. Assays were performed in polystyrene 96-well plates (Corning 96-well flat transparent) and a conventional micro-plate reader was employed for kinetic readings (Tecan Infinite 200 multimode). The following reagents were added to the wells: 200 &#956;L of 0.5 mM DTNB in sodium phosphate buffer (100 mM, pH 8), 30 &#956;L of inhibitor stock solution in methanol, 20 &#956;L of 1.25 units/mL of AChE in sodium phosphate buffer (20 mM, pH 7), and 50 &#956;L of 3 mM ATCh in buffer (100 mM, pH 8). Immediately aft
8557	1	Inhibitor Assay	For inhibitor testing, the sample composition was the same as described below, except of the putative inhibitory compound added. For a rapid test of QC-inhibition, samples contained 4 mM of the respective inhibitor and a substrate concentration at 1 KM. For detailed investigations of the inhibition and determination of Ki-values, influence of the inhibitor on the auxiliary enzymes was investigated first. In every case, there was no influence on either enzyme detected, thus enabling the reliable determination of the QC inhibition. Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30&deg; C. QC activity was evaluated fluorometrically using H-Gln-&deg;NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, H rsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of &deg;-naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-&deg;NA from H-Gln-&deg;NA per minute under the described conditions.
8558	1	Inhibition Assay	The potential of the test compound to act as a competitive inhibitor of CYP3A4 was evaluated in in vitro assays, using human liver microsomes and the reference substrate midazolam. The test compound was solved in acetonitrile. Human liver microsomal preparation (pool of HLM) was applied for the assay. A stock solution of the test compound was added to phosphate buffer containing EDTA, NADP, glucose 6-phosphate, and glucose 6-phosphate dehydrogenase. This mixture was sequentially diluted on a Genesis Workstation (Tecan, Crailsheim, FRG). After pre-warming, reaction was initiated by addition of a mixture of probe substrate (midazolam). Finally, the incubation mixtures contained human liver microsomes at protein concentration of 60 ug/mL, NADPH-regenerating system (1 mM NADP, 5.0 mM glucose 6-phosphate, glucose 6-phosphate dehydrogenase (1.5 U/mL), 1.0 mM EDTA, the test compound at 6 different concentrations, 2.5 uM midazolam as probe substrate, and phosphate buffer (50 mM, pH 7.4) in a total volume of 200 uL. Incubations were performed on a Genesis Workstation (Tecan, Crailsheim, FRG) in 96-well plates (Microtiter plate, 96-well plate) at 37&deg; C. Stock solution of probe substrate was prepared in water (midazolam 10 mM). Ketoconazole was used as positive control of a direct-acting inhibitor. The reference samples (substrate, but no inhibitor) were incubated in parallel in sextuple and contained the same amount of solvent as the test incubations. Reactions were stopped by addition of 100 uL acetonitrile containing the internal standard. Precipitated proteins were removed by centrifugation of the well plate, supernatants were analyzed by LC-MS/MS.
8559	1	Enzyme Assay	For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2.0 ul of a solution of AKR1C3 in assay buffer [50 mM potassium phosphate buffer pH 7, 1 mM DTT, 0.0022% (w/v) Pluronic F-127, 0.01% BSA (w/v) and protease inhibitor cocktail (Complete, EDTA-free Protease Inhibitor Cocktail from Roche)] were added and the mixture was incubated for 15 min to allow pre-binding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 3 ul of a solution of NADPH (16.7 uM->final concentration in 5 ul of assay volume is 10 uM) and Coumberone (0.5 uM->final concentration in 5 ul of assay volume is 0.3 uM) in assay buffer, and the resulting mixture was incubated at 22&deg; C. for the reaction time of 90 min. The concentration of the AKR1C3 was adapted to the respective activity of the enzyme preparation and adjusted such that the assay was carried out in the linear range. Typical concentrations were in the region of 1 nM. The reaction was stopped by addition of 5 ul of a stop solution consisting of the inhibitor EM-1404 [F. Labrie et al. U.S. Pat. No. 6,541,463, 2003] (2 uM->final concentration in 5 ul of assay volume is 1 uM). The fluorescence of the Coumberole was then measured at 520 nm (excitation at 380 nm) using a suitable measuring instrument (Pherastar from BMG Labtechnologies). The intensity of the fluorescence was used as a measure of the amount of Coumberole formed and thus of the enzyme activity of AKR1C3. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components, but no enzyme=100% inhibition). Usually, the test substances were tested on the same microtiter plate at 11 different concentrations in the range from 20 uM to 96.8 pM (20 uM, 5.9 uM, 1.7 uM, 0.5 uM, 0.15 uM, 44 nM, 12.9 nM, 3.8 nM, 1.1 nM, 0.3 nM and 96.8 pM, the dilution series were prepared prior to the assay on the level of the 100-fold concentrated solution by serial 1:3 dilutions with 100% DMSO) in double for each concentration, and the IC50 values were calculated using a 4-parameter fit.
8561	1	Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 143-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5x final concentration in assay buffer. MR121 substrate solution: MR121 substrate stock solution (800 uM MR121 substrate in DMSO), diluted to 2-5x final concentration in assay buffer. Test compounds (10 mM stock in DMSO, 8 uL) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 uL DMSO. Row-wise serial dilutions were made by transferring 8 uL cpd solution to the next row up to row 0. The compound and control solutions were mixed five times and 2 uL were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 uL of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30&deg; C. 10 uL of MR121 substrate solution was added (1 uM final concentration), mixed 30 times and then incubated for 15 minutes at 30&deg; C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
8562	1	Competition Binding Assay	Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern, Pa.) (Ma et al., 2008) The ROCK1 enzyme tested was GST[1-535] ROCK1 (Genbank, NP 005397), ROCK2 was GST[5-554] (Genbank, 3327051). For the kinase assay buffers contained 20 mM Hepes, 10 mM MgCl2, 2 mM DTT, 0.02 mg/mL BSA, 0.1% DMSO, 1 mM EGTA, 0.02% Brij-35, 10 uM ATP, [&#947;P33]-ATP and for ROCK enzymes, 20 uM long S6-peptide (32 amino acids length). Appropriate substrates and activation was applied for the other kinases tested. Each enzyme was preincubated with test compound for 15 min., and the reaction started by addition of ATP. Samples were incubated at room temperature for 120 min, and applied to P81 ion exchange paper and washed extensively; the radioactive content of the filters were determined. 
8563	1	Radioligand Binding Assay	An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin concentrating hormone receptor (MCHR1). Membranes from stably transfected HEK-293 cells expressing a mutated (E4Q, A5T) hMCHR1 receptor were prepared by dounce homogenization and differential centrifugation. Binding experiments were carried out with 0.5-1.0 ug of membrane protein incubated in a total of 0.2 mL in 25 mM HEPES (pH 7.4) with 10 mM MgCl2, 2 mM EGTA, and 0.1% BSA (Binding Buffer) for 90 min. For competition binding assays, reactions were carried out in the presence of with 0.06-0.1 nM [Phe13, [125I]Tyr19]-MCH and increasing concentrations of unlabeled test molecules. Reactions were terminated by rapid vacuum filtration over 96 well-GFC UNIFILTER plates pre-coated with 0.075 mL binding buffer containing 1% BSA, and washed 3 times with 0.4 mL of Phospho-buffered Saline (pH 7.4) containing 0.01% TX-100. Filters were dried, 0.05 mL MicroScint 20 was added to each well and radioactivity was subsequently quantified by scintillation counting on a TOPCOUNT microplate scintillation counter (Packard). Inhibitory constants were determined by nonlinear least squares analysis using a four parameter logistic equation.
8564	1	CDK9/CycT1 Kinase Assay	Method 1a: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg; C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 1 ug/ml. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
8564	2	CDK2/CycE Kinase Assay	Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose affinity chromatography, were purchased from ProQinase GmbH (Freiburg, Germany). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.25 uM=>final conc. in the 5 ul assay volume is 0.75 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg; C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 130 ng/ml. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
8564	3	CDK9/CycT1 High ATP Kinase Assay	Method 1b: Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI peptide technologies (Berlin, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 ul assay volume is 2 mM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg; C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.5 ug/ml. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
8564	4	Carbonic Anhydrase Assay	The principle of the assay is based on the hydrolysis of 4-nitrophenyl acetate by carbonic anhydrases (Pocker & Stone, Biochemistry, 1967, 6, 668), with subsequent photometric determination of the dye product 4-nitrophenolate at 400 nm by means of a 96-channel spectral photometer. 2 uL of the test compounds, dissolved in DMSO (100-fold final concentration), in a concentration range of 0.03-10 umol/L (final), was pipetted as quadruplicates into the wells of a 96-hole microtiter plate. Wells that contained the solvent without test compounds were used as reference values (1. Wells without carbonic anhydrase for correction of the non-enzymatic hydrolysis of the substrate, and 2. Wells with carbonic anhydrase for determining the activity of the non-inhibited enzyme).188 uL of assay buffer (10 mmol/L of Tris/HCl, pH 7.4, 80 mmol/L of NaCl), with or without 3 units/well of carbonic anhydrase-1 [=human carbonic anhydrase-1 (Sigma, #C4396)] in order to determine carbonic anhydrase-1 inhibition or 3 units/well of carbonic anhydrase-2 [=human carbonic anhydrase-2 (Sigma, #C6165)] for measuring carbonic anhydrase-2 inhibition, was pipetted into the wells of the microtiter plate. The enzymatic reaction was started by the addition of 10 microL of the substrate solution (1 mmol/L of 4-nitrophenyl acetate (Fluka #4602), dissolved in anhydrous acetonitrile (final substrate concentration: 50 umol/L). The plate was incubated at room temperature for 15 minutes. Absorption was measured by photometry at a wavelength of 400 nm. The enzyme inhibition was calculated after the measured values were normalized to the absorption of the reactions in the wells without enzyme (=100% inhibition) and to the absorption of reactions in the wells with non-inhibited enzyme (=0% inhibition). IC50 values were determined by means of a 4 parameter fit using the company's own software.
8565	1	BACE1 HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3 the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 ul) for 30 minutes at 30&deg; C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 ul of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 ul in a 384 well Nunc HTRF plate. The reactions are incubated at 30&deg; C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined um value of 8 uM for the QSY7-APPswe-Eu substrate at BACE1. The compounds of Examples 1, 2, and 3 were measured in this assay and each exhibited a Ki value of less than about 5 nM.
8566	1	MKNK1 TR-FRET Assay	A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) was used which can be purchased e.g. form the company Biosyntan (Berlin-Buch, Germany). For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 uL of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 uL of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 uL assay volume is 10 uM) and substrate (0.1 uM=>final conc. in the 5 uL assay volume is 0.06 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22&deg; C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 ug/ml. The reaction was stopped by the addition of 5 uL of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
8566	2	Kinase High ATP Assay	MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET-based MKNK1 high ATP assay as described in the following paragraphs.A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) was used, which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 uL of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 uL of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 uL assay volume is 2 mM) and substrate (0.1 uM=>final conc. in the 5 uL assay volume is 0.06 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22&deg; C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 ug/mL. The reaction was stopped by the addition of 5 uL of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
8567	1	Scintillation Proximity Assay (SPA)	Protocol 1: Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on Histone H3 of a mononucleosome, purified from HeLa cells. Mononucleosomes were captured on SPA beads and the resulting signal is read on a ViewLux plate reader.Part A. Compound Preparation 1. Prepare 10 mM stock of compounds from solid in 100% DMSO. 2. Set up an 11-point serial dilution (1:3 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 3. Dispense 100 nL of compound from the dilution plate into reaction plates (Grenier Bio-One , 384-well, Cat#784075). Percent inhibition was calculated relative to the DMSO control for each compound concentration and the resulting values were fit using standard IC50 fitting parameters within the ABASE data fitting software package.
8567	2	Scintillation Proximity Assay (SPA)	Protocol 2: Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on a biotinylated, unmethylated peptide substrate derived from histone H3. The peptides were captured on streptavidin-coated SPA beads and the resulting signal was read on a ViewLux plate reader.Part A. Compound Preparation 4. Prepare 10 mM stock of compounds from solid in 100% DMSO. 5. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 6. Dispense 10 nL of compound from the dilution plate into reaction plates (Corning, 384-well polystyrene NBS, Cat#3673). Percent inhibition was calculated relative to the DMSO control for each compound concentration and the resulting values were fit using standard IC50 fitting parameters within the ABASE data fitting software package.
8568	1	Biochemical Enzyme Assay	The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepared with 8-point serial dilutions for the test compounds on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 ul per well of peptide/ATP-solution (4 uM FITC-Ahx-TSELKKWALYDYMPMNAND-NH2, 164 uM ATP) in kinase buffer (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 uM sodium orthovanadate, 18 mM MgCl2, 1 mM MnCl2) and 4.5 ul per well of enzyme solution (6.4 nM full-length human recombinant BTK) in kinase buffer. Kinase reactions were incubated at 30&deg; C. for 60 minutes and subsequently terminated by addition of 16 ul per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Kinase reactions were analyzed on a Caliper LC3000 workstation by separating phosphorylated and unphosphorylated peptides and kinase activities were calculated from the amounts of newly formed phospho-peptide. Inhibition data were calculated by comparison to control reactions without enzyme (100% inhibition) and without inhibitors (0% inhibition). The concentration of inhibitor required for 50% inhibition (IC50) was calculated from the inhibition in response to inhibitor concentrations.
8569	1	Non-Radioactive Assay	PI3K (p110&#945;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the ATP solution. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
8569	2	Non-Radioactive Assay	PI3K (p1103/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
8569	3	Non-Radioactive Assay	PI3K (p110&#948;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
8569	4	Non-Radioactive Assay	PI3K (p120&#947;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
8570	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluorescence resonance energy transfer (TR-FRET) from Europium-labelled anti-phospho-Serine/Threonine antibody as donor to streptavidin labelled with cross-linked allophycocyanin (SA-XLent) as acceptor. Compounds are tested for their inhibition of the kinase activity.N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As substrate for the kinase reaction a biotinylated peptide of the amino-acid sequence PWDPDDADITEILG (C-terminus in amide form, purchased from Biosynthan GmbH, Berlin) was used.For the assay 50 nL of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 ul assay volume). The reaction was stopped by the addition of 3 ul of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-J gesheim, Germany].
8571	1	Fluorescence Quench Assay	The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluor 488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-(QXL 520)-OH (SEQ ID NO:1) AnaSpec, San Jose, Calif.) and truncated human beta-secretase, BACE1 (amino acids 1-454) fused to a myc-his tag and secreted from HEK293/BACEect. cells into OptiMEM (Invitrogen). The substrate was dissolved at 1 mg/ml in DMSO.The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing the ectodomain of BACE1, 25 ul water containing the desired 2-fold concentration of test compound and 2% DMSO, 1 uM substrate peptide, 20 mM NaOAc, pH 4.4, and 0.04% Triton-X100 in a total assay volume of 50 ul in a 384 well plate. In general, 25 ul of compound dilution were given to the plate followed by the addition of 10 ul of BACE1 containing OptiMEM diluted 1:10 in water with 0.2% Triton X-100. The reaction was started with the addition of 15 ul substrate in NaOAc buffer. The reaction was incubated at rt (dark) in an Envision multilabel reader (Perkin Elmer) and the cleavage of the substrate was recorded as kinetic for 60 min at ex: 485 nm, em: 538 nm. Blank wells containing no enzyme were included on each plate. The intensity of fluorescence was regressed against time in order to derive velocities of reaction in all 384 wells. These velocities were used for calculating percent control using an uninhibited control containing 1% DMSO as 100% and blank control performed in the absence of enzyme as 0%. IC50 values were calculated by fitting percent control vs. test compound concentration using Assay Explorer.
8571	2	hERG-Channel Assay	Cells were superfused with a bath solution containing (mM): NaCl (137), KCl (4.0), MgCl2 (1.0), CaCl2 (1.8), Glucose (10), HEPES (10), pH 7.4 with NaOH. Patch pipettes were made from borosilicate glass tubing using a horizontal puller and filled with pipette solution containing (mM): K-aspartate (130), MgCl2 (5.0), EGTA (5.0), K2ATP (4.0), HEPES (10.0), pH 7.2 with KOH. Resistance of the microelectrodes was in the range between 2 and 5 M&Omega;. Stimulation and Recording:Membrane currents were recorded using an EPC-10 patch clamp amplifier and PatchMaster software. hERG-mediated membrane currents were recorded at 35&deg; C., using the whole-cell configuration of the patch-clamp technique. Transfected HEK293 cells were clamped at a holding potential of -60 mV and hERG-mediated inactivating tail currents were elicited using a pulse pattern with fixed amplitudes (activation/inactivation: 40 mV for 2000 ms; recovery: -120 mV for 2 ms; ramp to 40 mV in 2 ms; inactivating tail current: 40 mV for 50 ms) repeated at 15 s intervals. During each inter-pulse interval 4 pulses scaled down by a factor of 0.2 were recorded for a P/n leak subtraction procedure. R. compensation was employed up to a level that safely allowed recording devoid of ringing.
8572	1	Biochemical Assay	The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% Tween-20, 0.05% BSA, and 1 mM DTT) as follows: 0.25 nM of 6×HIS-tankyrase1 (1091-1325) was incubated in the presence of compound (DMSO 1.85% final) in a Perkin Elmer 384 well Proxiplate Plus (cat.no. 6008289) with 400 nM of NAD for 60 minutes at RT. The assay was then stopped with the above assay buffer containing a 0.6 &#956;M inhibitor and the following detection components: 0.05 &#956;g/mL monoclonal anti-PAR antibody (Trevigen cat.no. 4335-MC-01K-AC) prebound for 60 minutes with 0.63 &#956;g/mL protein G AlphaLisa acceptor bead (Perkin Elmer cat.no. AL102M) and 5 &#956;g/mL AlphaLisa nickel chelate donor bead (Perkin Elmer cat.no. AS 101M). The assay was incubated for 16 hours at RT in the dark and read on a Perkin Elmer Envision multi label reader using the default program set with laser excitation at 680 nM and emission at 615 nM.
8573	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1x HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 ul and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 ul lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 ul detection solutions (20 uM mAb Alexa700-cAMP 1:1, and 48 uM Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 uM to 0.13 nM cAMP. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited). The EC50 values for a wide range of cannabinoid agonists generated from this assay were in agreement with the values published in the scientific literature. The compounds of the invention are CB2 receptor agonists with EC50 below 1 uM and selectivity versus CB1 in the corresponding assay of at least 10 fold. Particular compound of the invention are CB2 receptor agonists with EC50 below 0.05 uM and selectivity versus CB1 in the corresponding assay of at least 500 fold.
8574	2	Nek2 Inhibition Assay	For RSK2 kinase assays, see Example 64 above. Full-length human T175A NEK2 (referred to as NEK2) was expressed and purified as previously described (Knapp S. et al. J. Biol. Chem., 2007, 282: 6833-6842). The C22V mutant of NEK2 was generated by Quikchange mutagenesis (Stratagene) and was indistinguishable from NEK2 in kinase activity assays. NEK2 kinases (60 nM) in 20 mM Hepes, pH 7.6, 10 mM MgCl2, 1 mM EDTA, 0.2 mg/mL BSA, and 100 &#956;M ATP were pre-incubated with inhibitors (8-10 concentrations, in duplicate) for 30 min at room temperature. Kinase reactions were initiated by the addition of 0.4 &#956;Ci/&#956;L of &#947;-32P-ATP (6000 Ci/mmol, NEN) and 2.37 mg/mL &#946;-casein (Sigma) and incubated for 30 minutes at room temperature.
8574	3	Inhibition Assay	Human PLK1 (Millipore, catalog number 14-777M) (7.2 nM) in 20 mM Hepes, pH 7.6, 10 mM MgCl2, 1 mM EDTA, 0.2 mg/mL BSA, and 100 &#956;M ATP was pre-incubated with inhibitors (8-10 concentrations, in duplicate) for 30 min at room temperature. Kinase reactions were initiated by the addition of 0.4 &#956;Ci/&#956;L of &#947;-32P-ATP (6000 Ci/mmol, NEN) and 0.5 mg/mL dephosphorylated &#945;-casein (Sigma) and incubated for 30 min at room temperature. Kinase activity was determined by spotting 5 &#956;L of each reaction onto dried sheets of nitrocellulose pre-washed with 1M NaCl in 0.1% H3PO4. After blotting each kinase reaction, the nitrocellulose sheets were washed once with 1% AcOH solution. Kinase activity was determined by spotting 5 &#956;L of each reaction onto dried sheets of nitrocellulose that had been pre-washed with 1 M NaCl in 0.1% H3PO4. The nitrocellulose sheets were washed once with 1% AcOH solution and twice with a solution of 1 M NaCl in 0.1% H3PO4 (5-10 minutes per wash).
8574	4	Kinase Assay	Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentration) was pre-incubated with inhibitors (six or ten concentrations, in duplicate) for 30 minutes at room temperature. Kinase reactions were initiated by the addition of 0.16 &#956;Ci/&#956;L of &#947;-32P-ATP (6000 Ci/mmol, NEN) and 0.2 mg/mL substrate (poly[Glu:Tyr], 4:1 Glu:Tyr) and incubated for 30 minutes at room temperature. Kinase activity was determined by spotting 6 &#956;L of each reaction onto sheets of phosphocellulose. Each blot was washed once with 1% AcOH solution, twice with 0.1% H3PO4 solution, and once with MeOH (5-10 minutes per wash). Dried blots were exposed for 30 minutes to a storage phosphor screen and scanned by a Typhoon imager (GE Life Sciences). 
8574	6	Kinase Assay	Wild-type and S345C mutant cSrc kinase domains were expressed and purified as described (Blair et al., Nat. Chem. Biol., 2007). The purified cSrc kinase (2 nM final concentration) was pre-incubated with inhibitors (six or ten concentrations, in duplicate) for 30 minutes at room temperature in kinase reaction buffer (20 mM HEPES pH 7.4, 10 mM MgCl2 0.2 mM EDTA) with 200 &#956;M ATP, and 1 mg/mL BSA. Kinase reactions were initiated by the addition of 0.05 &#956;Ci/&#956;t of &#947;-32P-ATP (6000 Ci/mmol, NEN) and 0.1 mM substrate peptide (LEIYGEFKKK) (SEQ ID NO:2) and incubated for 30 minutes at room temperature. Kinase activity was determined by spotting 6 &#956;L of each reaction onto sheets of phosphocellulose. Each blot was washed once with 1% AcOH solution, twice with 0.1% H3PO4 solution, and once with MeOH (5-10 minutes per wash). Dried blots were exposed for 30 minutes to a storage phosphor screen and scanned by a Typhoon imager (GE Life Sciences). 
8575	1	Inhibition Assay	Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodomain protein BRD4 at regions 1 (BRD4-1) and 2 (BRD4-2). 
8576	1	Fluorometric Assays	All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30&deg; C. QC activity was evaluated fluorometrically using H-Gln-&beta;NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 6.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of &beta;-naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-&beta;NA from H-Gln-&beta;NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30&deg; C. utilizing the NOVOStar reader for microplates (BMG labtechnologies). The samples consisted of varying concentrations of the fluorogenic substrate, 0.1 U pyroglutamyl aminopeptidase (Qiagen) in 0.05 M Tris/HCl, pH 6.0 containing 5 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 380/460 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of 7-amino-4-methylcoumarin under assay conditions. The kinetic data were evaluated using GraFit software.
8576	2	Fluorometric Assays	All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30&deg; C. QC activity was evaluated fluorometrically using H-Gln-&beta;NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of &beta;-naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-&beta;NA from H-Gln-&beta;NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30&deg; C. utilizing the NOVOStar reader for microplates (BMG labtechnologies). The samples consisted of varying concentrations of the fluorogenic substrate, 0.1 U pyroglutamyl aminopeptidase (Qiagen) in 0.05 M Tris/HCl, pH 8.0 containing 5 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 380/460 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of 7-amino-4-methylcoumarin under assay conditions. The kinetic data were evaluated using GraFit software.
8577	1	Inhibition Assay	Experimental Purpose: The purpose is to study the effect of the compounds on c-MET tyrosine kinase activity at the molecular level. IC50 values were calculated from the data of the inhibition rates of the compounds on c-MET tyrosine kinase phosphorylation at various concentrations, thereby evaluating the compounds.Experimental Method: 1. The positive control and the test compounds were first dissolved in 100% dimethyl sulfoxide to prepare a 20 mM stock solution, which was stored at 20&deg; C. in a freezer. 2. Just before the experiment, the above stock solution was diluted to a final concentration of 4% in dimethyl sulfoxide. 3. 5x kinase buffer was diluted with water to 1.33x kinase buffer. 4. A mixture of 4 umol/L polypeptide substrate and 2x kinase was prepared in 1.33x kinase buffer. 5. 4 umol/L phosphorylated peptide substrates were prepared in 1.33x kinase buffer. 6. Appropriate concentration of ATP was prepared in 1.33x kinase buffer. 7. According to the need of dilution ratio, endonuclease was diluted in display buffer B. 8. All of the compounds were diluted within a 96-well plate. 9. The mixture of 4 umol/L polypeptide substrate and 2x kinase, and the 4x ATP solution were added to a 96-well plate, and the reagents were then transferred to a 384-well plate by a 12 channel pipettor. 10. The plate was incubated at room temperature for 1 hour. 11. 5 uL display buffer were added, and the plate was incubated at room temperature for another 1 hour. 12. Fluorescence was read on a NovoStar microplate reader, with excitation wavelength: 400 nm, and emission wavelength: 445 nm and 520 nm. 13. Using GraphPad software, a non-linear regression curve was generated based on the inhibition ratio as a function of the concentration of the compounds. The IC50 was calculated using a S-shaped dose-effect curve fitting. The inhibition rates of the compounds were calculated according to the following formula. 14. Emission light wave ratio=(Coumarin emission wave 445 nm)/(Fluorescein emission wave 520 nm). 15. Inhibition percent=1-phosphorylation (absorption)%/phosphorylation (divergence)%.
8578	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), lx HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 ul and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 ul lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 ul detection solutions (20 uM mAb Alexa700-cAMP 1:1, and 48 uM Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 uM to 0.13 nM cAMP. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited). The EC50 values for a wide range of cannabinoid agonists generated from this assay were in agreement with the values published in the scientific literature.
8579	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1xHT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 ul and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 ul lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 ul detection solutions (20 uM mAb Alexa700-cAMP 1:1, and 48 uM Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P (T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 uM to 0.13 nM cAMP. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited). The EC50 values for a wide range of cannabinoid agonists generated from this assay were in agreement with the values published in the scientific literature.
8580	1	Inhibition Assay	The inhibition assays were performed at 25° C. in 50 mM 3,3-dimethylglutarate buffer, pH 7.0, containing 1 mM EDTA with an ionic strength of 0.15M adjusted by NaCl. The salicylic acid based library was screened in a 96-well format at 10 &#956;M compound concentration. The reaction was started by the addition of 50 &#956;l of the enzyme to 150 &#956;l of reaction mixture containing the final Km value of pNPP and various concentrations of the inhibitor in 96-well plate. The reaction was quenched after 10 minutes by the addition of 50 &#956;l of 5N NaOH, and then this reaction mixture was detected for absorbance at 405 nm by a Spectra MAX340 microplate spectrophotometer (Molecular Devices). 
8580	2	Inhibition Assay	For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTP&#945;-D1D2 were expressed and purified from E. coli. The inhibition assay for these PTPs were performed under the same conditions as SHP2 (D2C) except using a different pNPP concentration corresponding to the Km of the PTP studied.
8581	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1xHT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 ul and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 ul lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 ul detection solutions (20 uM mAb Alexa700-cAMP 1:1, and 48 uM Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 uM to 0.13 nM cAMP. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited). The EC50 values for a wide range of cannabinoid agonists generated from this assay were in agreement with the values published in the scientific literature. The compounds of the invention are CB2 receptor agonists with EC50 below 1 uM and selectivity versus CB1 in the corresponding assay of at least 10 fold.
8582	1	Enzyme Assay	Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Protein Tyrosine Kinase Activity of c-src Using Scintillating Microtitration Plates, Anal Biochem. 234, 1, 23-26). In such cases, the transfer of 33PO4 from ATP to the synthetic substrates poly(Glu, Tyr) 4:1 or poly(Arg, Ser) 3:1 attached to the bioactive surface of microtiter plates is taken as a measure of enzyme activity. After an incubation period, the amount of phosphate transferred is measured by first washing the plate with 0.5% phosphoric acid, adding liquid scintillant, and then counting in a liquid scintillation detector. The IC50 is determined by the concentration of compound that causes a 50% reduction in the amount of 33P incorporated onto the substrate bound to the plate.
8583	1	In Vitro Protease Cleavage Assay	To screen for small molecular weight compounds that can inhibit MALT1 protease activity, recombinant GSTMALT1 was purified from E. coli to establish an in vitro protease cleavage assay suitable for high throughput screening (HTS). GSTMALT1 was incubated for 1 h at 30&deg; C. in the presence of 50 uM of the tetrapeptide substrate Ac-LRSR-AMC, which is derived from the MALT1 cleavage site in the C-terminus of BCL10.7 Proteolytic activity was determined by measuring the increase of fluorescence, which is emitted after cleavage and the accompanying release of the fluorophore AMC (FIGS. 1A and B). MALT1 catalyzed cleavage of Ac-LRSR-AMC is evident from a robust increase in fluorescence intensity over time. Mutation of the conserved cysteine (C453A) in the paracaspase domain of MALT1 (Isoform B) completely abolished MALT1 catalytic activity (FIG. 1A). Similar to arginine-lysine specific metacaspases, the MALT1 protease has a high preference for cleaving after an arginine residue. Consistent with this Z-VRPR-FMK, which was initially designed as a metacaspase antagonistic peptide, also completely blocked MALT1 cleavage activity at low nanomolar concentrations, emphasizing the high similarity of the paracaspase to plant metacaspases.
8584	1	Binding Assay	Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 2 mmol/L magnesium chloride, 0.3 mmol/L ethylenediaminetetracetic acid, and 1 mmol/L glycol ether diaminetetraacetic acid). The resulting homogenate was centrifuged at 50,000xg at 4&deg; C. for 20 minutes. The precipitate was resuspended in a 75 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 12.5 mmol/L magnesium chloride, 0.3 mmol/L ethylenediaminetetracetic acid, 1 mmol/L glycol ether diaminetetraacetic acid, and 250 mmol/L sucrose) to give a crude membrane preparation, which was stored at 80&deg; C. until the binding test was initiated. In the binding test, the crude membrane preparation was diluted with a 50 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 10 mmol/L magnesium chloride and 0.1% bovine serum albumin) and mixed with each test compound and [3H]AVP (final concentration: 0.4 to 1 nmol/L), followed by incubation at room temperature for 60 minutes. The test compound was serially diluted with DMSO so that it would have final concentrations of 0.01 nmol/L to 1 umol/L at the time of mixing. After the incubation, the mixture was suction filtered through a GF/C filter that was preliminarily impregnated with 0.3% polyethyleneimine. The GF/C filter was dried and after adding a scintillator, the residual radioactivity on the filter was measured using TopCount (PerkinElmer Inc.). The radioactivity in the presence of unlabeled AVP at 10 mmol/L was defined as 0%, and the radioactivity in the absence of unlabeled AVP was defined as 100%. A dose-response curve was plotted from radio activities in the presence of a test compound at various concentrations, and the 50% inhibitory concentration (IC50 value) of the test compound was calculated. The IC50 values of the compounds of the present invention were in the range of 0.1 to 1000 nM.
8585	1	Glucokinase Activity Assay	Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay was carried out at 30° C. in a 96-well plate. In the plate was distributed 69 &#956;l each of assay buffer (25 mM Hepes Buffer: pH=7.2, 2 mM MgCl2, 1 mM ATP, 0.5 mM TNAD, 1 mM dithiothreitol), to which was added 1 &#956;l of a DMSO solution of the compound or DMSO as control. Then, 20 &#956;l of pre-ice-cooled enzyme mixture (FLAG-GK, 20 U/ml G6PDH) was distributed thereto, to which was added 10 &#956;l of 25 mM glucose as substrate to initiate the reaction (final glucose concentration=2.5 mM). After starting the reaction, the absorbance at 405 nm was measured every 30 seconds for 10 minutes to evaluate the compound based on the initial increase for 5 minutes. FLAG-GK was added so that the increase of absorbance after 5 minutes fell between 0.05 to 0.1 in the presence of 1% DMSO.
8586	1	In Vitro AMPK Activation Assay	The in vitro AMPK activation assay is performed in a volume of 30 ul in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by adding 15 ul of 2X enzyme in assay buffer (20 mM HEPES, pH 7.3, 5 mM MgCl2, 3 mM DTT, 0.01% Brij 35 and CamK Kinase, to activate AMPK) to wells which contained either DMSO or compound. The reaction was initiated with the addition of 15 ul 2x substrate mixture containing 200 uM ATP, and 3.0 uM fluorescently labeled SAMS (5-FAM-HMRSAMSGLHLVKRR-COOH) in assay buffer. After 45-minute incubation at 25&deg; C., the reaction was stopped by the addition of 70 ul stop buffer (100 mM HEPES, pH 7.3, 40 mM EDTA, 0.015% Brij 35). Phosphorylated 5-FAM SAMS product is assessed using a Caliper EZ Reader LabChip microfluidics reader. Product conversion is determined by calculating the peak heights of the substrate and product and reporting the product/(product+substrate) peak ratio. The 10-point titration data were expressed as % maximum AMP activation. The results were plotted using 4 parameter fit and the inflection point reflecting 50% of the maximum activation was reported as the EC50.
8587	1	In Vitro Kinase Assay	In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK1 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 uM ATP and 1.2 uM substrate solution. The appropriate amount of JAK1 kinase (Invitrogen, Catalog Number: pv4774) was mixed with 4x buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/uL. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)]17.5 uL of ATP/substrate mixture, 5 uL of an aqueous solution of a test compound (5 uL of pure water only were added to the control and blank), and 7.5 uL of the kinase solution prepared above (4x buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27&deg; C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody was added [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell Signaling Technology, Catalog Number: 5465)], and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added, and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm. IC50 values of test compounds was calculated from the data of the test compounds in inhibiting the activity of JAK1 kinase at different concentrations.
8587	2	In Vitro Kinase Assay	In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK2 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 uM ATP and 1.2 uM substrate solution. The appropriate amount of JAK2 kinase (Invitrogen, Catalog Number: pv4210) was mixed with 4x buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/uL. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)]17.5 uL of ATP/substrate mixture, 5 uL of aqueous solution of a test compound (5 uL of pure water only were added to control and blank), and 7.5 uL of the kinase solution prepared above (4x buffer only was added to control) were added. Each well was mixed sufficiently, then incubated at room temperature (27&deg; C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm. IC50 values of test compounds were calculated from the data of the test compounds for inhibiting the activity of JAK2 kinase at different concentrations.
8587	3	In Vitro Kinase Assay	In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required by the experiment. JAK3 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 M ATP and 1.2 M substrate solution. The appropriate amount of JAK3 kinase (Invitrogen, Catalog Number: pv3 855) was mixed with 4x buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/uL. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Item: AAAND-0005)]17.5 uL of ATP/substrate mixture, 5 uL of aqueous solution of a test compound (L of pure water only were added to the control and blank), and 7.5 uL of the kinase solution prepared above (4x buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27&deg; C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm. IC50 values of test compounds were calculated from the data of the test compounds for inhibiting the activity of JAK3 kinase at different concentrations.
8589	1	HTRF Assay	The enzyme reaction mixture of BTK wild type standard HTRF assay contained 1 nM BTK wild type, 1 &#956;M biotin-TK1 peptide, and 30 &#956;M ATP in a buffer. The enzyme reaction were carried out at room temperature for 60 minutes. 5 &#956;l of 0.2 M EDTA were added to quench the reaction and then the inhibitors (5 &#956;l) were added at final concentrations of 2 nM antibody and 62.5 nM XL665. The plates were incubated at room temperature for 60 minutes and then read in the Envision plate reader. The readouts were transformed into inhibition rate % by the equation of (Min Ratio)/(Max-Min)*100%. Hence the 1050 data of test compounds were generated by using four parameters curve fitting.
8590	1	In Vitro Assay	Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed by mass spectrometry analysis. Human RPA was purified using an E. coli over expression system as previously described (7). EMSAs were performed in 20 &#956;L reactions containing 25 nM RPA, 25 nM 5&#8242;[32P]-labeled 34-base pair DNA as previously described (7). The final concentration of DMSO was 1%.
8591	2	Binding Inhibition Assay	The ability of test substances to inhibit the binding of a human B cell line, RPMI-8866, which is known to express &alpha;4&beta;7 integrin, to MAdCAM-1 was measured.To 96-well microtiter plates, recombinant mouse MAdCAM-1/Fc (R&D systems) solution (0.75 ug/mL) diluted with buffer A (carbonate buffer solution, pH 9.6) was added at 50 uL/well, followed by incubation at 4&deg; C. overnight. After washing once with PBS, Block Ace (Snow Brand Milk Products Company, Limited) was added at 150 uL/well, followed by incubation at room temperature for 2 hours. After removal, washing was conducted once with PBS.100 uL of each test substance diluted with binding buffer (DMEM containing 40 mM HEPES, 0.2% BSA, and 4 mM MnCl2) to various concentrations and 100 uL of RPMI-8866 cells (2x106 cell/mL) were added to the plates coated with MAdCAM-1/Fc (5x105 cells/well), followed by incubation at 30&deg; C. for 15 minutes to 60 minutes. After the cells were bound to each well, unbound cells were removed by washing with PBS. To the plates, buffer C (PBS containing 1.5% Triton X-100) was added at 50 uL/well to lyse the bound RPMI-8866 cells. To 30 uL of the cell lysate, 30 uL of Substrate Buffer (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the reaction was allowed to proceed at room temperature in a dark place for 30 minutes. To each well, 30 uL of Stop Solution (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the absorbance at 490 nm was measured by using a plate reader. Here, by the obtained absorbance, the activity of the lactate dehydrogenase (LDH) dissolved into the supernatant of each well was detected. In other words, the absorbance was proportional to the number of the RPMI-8866 cells bound to MAdCAM-1 and remaining on the plate. The test was duplicated. The binding ratios of the cells at various concentrations were determined, with the absorbance of a well containing no test substance taken as 100%. Then, the concentration IC50, at which 50% binding inhibition was achieved, was calculated.
8591	1	Binding Inhibition Assay	The ability of test substances to inhibit the binding of a human T-cell line, Jurkat, which is known to express &alpha;4&beta;1 integrin, to VCAM-1 was measured.To 96-well microtiter plates, recombinant human VCAM-1/Fc (R&D systems) solution (1 ug/mL) diluted with buffer A (carbonate buffer, pH 9.6) was added at 50 uL/well, followed by incubation at 4&deg; C. overnight. After washing once with PBS, Block Ace (Snow Brand Milk Products Company, Limited) was added at 150 uL/well, followed by incubation at room temperature for 2 hours. After removal, washing was conducted once with PBS. 100 uL of each test substance diluted with a binding buffer (DMEM containing 40 mM HEPES, 0.2% BSA, and 4 mM MnCl2) to various concentrations and 100 uL of the Jurkat cells (2x106 cell/mL) were added to the plates coated with VCAM-1/Fc (5x105 cells/well), followed by incubation at 30&deg; C. for 15 minutes to 60 minutes. After the cells were bound to each well, unbound cells were removed by washing with PBS. To the plates, buffer C (PBS containing 1.5% Triton X-100) was added at 50 uL/well to lyse the bound Jurkat cells. To 30 uL of the cell lysate, 30 uL of Substrate Buffer (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the reaction was allowed to proceed at room temperature in a dark place for 30 minutes. To each well, 30 uL of Stop Solution (Promega, CytoTox 96 Non-Radioactive Cytotoxicity Assay) was added, and the absorbance at 490 nm was measured by using a plate reader. Here, by the obtained absorbance, the activity of the lactate dehydrogenase (LDH) dissolved into the supernatant of each well was detected. In other words, the absorbance was proportional to the number of the Jurkat cells bound to VCAM-1 and remaining on the plate. The test was duplicated. The binding ratios of the cells at various concentrations were determined, with the absorbance of a well containing no test substances taken as 100%. Then, the concentration IC50, at which 50% binding inhibition was achieved, was calculated. Table 1 collectively shows the obtained results. Note that, among the compounds synthesized in the corresponding Examples, the compounds in the free form (Compounds A-1 to A-39) were used as the test compounds. Hereinafter, the same shall apply.
8593	1	Inhibition Assay	A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the XLfit extension to EXCEL. In the context of the present invention the assay was performed in 60 uL assay buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20) containing enough PDE9 to convert 20-25% of 10 nM 3H-cAMP and varying amounts of inhibitors. Following a 1 hour incubation the reactions were terminated by addition of 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads were allowed to settle for one hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. IC50 values were calculated by non linear regression using XLfit (IDBS).
13115	1	In Vitro DGK Inhibition Assay	First Table: A concentrated liposome solution was prepared in assay buffer without DTT and BSA: 2 mM of DLG in 21 mM of total liposome (2 mM DLG/8 mM PS/11 mM PC). The reaction mixtures contain the assay buffer with a final DLG concentration of 125 uM ATP concentrations of 25 μM (for DGKA assay) or 50 μM (for DGKZ assay). The reactions were started by addition of DGK α and ζ kinases at 4 nM and 2 nM final concentrations, respectively. After 1 hour reaction, the amount of ADP formed was detected with the ADP-Glo kinase assay (Promega) according to the manufacturer instructions. Compounds were added in 11-points dose response, starting at 10 mM, 1:3 dilutions, with a final DMSO concentration of 2%. The multidrop combi was used as a liquid handler and luminescence was read with 0.5 s by the envision reader (PE).
13115	2	In Vitro DGK Inhibition Assays: ADP Glo	Second Table: DGK α and ζ kinases use ATP to phosphorylate the substrate 1,2-dilauroyl-sn-glycerol (DLG). ATP is converted to ADP as a result of this enzymatic reaction.After the kinase reaction, an ATP-depletion reagent is added to terminate the kinase reaction and deplete any remaining ATP, leaving only ADP. Second, a detection reagent is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be converted to light using a coupled luciferase/luciferin reaction.Experimental Procedure, Reagents and MaterialDGK α and ζ kinase ADP Glo assays were ran by Reaction Biology Corp., 1 Great Valley Parkway, Suite 2, Malvern, 19355, PA, USA. Information provided by the service provider are the following: DGK α and ζ kinases were used at 2 nM final concentration. Reactions were carried out at 50 M ATP. 500 uM of the substrate DLG (Dilauroyl-sn-glycerol) was used. Compounds were received at 10 mM DMSO stock solution and were tested in 10-dose IC50 duplicate with 3-fold serial dilution starting at 1 μM. A control compound, Calphostin C, was tested in 10-dose IC50 with 3-fold serial dilution starting at 100 μM.
13116	1	 Assay for In Vitro Inhibitory Activity Against HPK1 Kinase	A kinase buffer (Enzymatic buffer 5×) was diluted to 1×, and 10 mM MgCl2, 1 mM DTT, and 0.005% Tween 20 were added. A 100 ng/μL HPK1 (Life technology) stock solution was diluted with the kinase buffer to obtain a 1.67×, 1.67 ng/μL working solution (final concentration: 1 ng/μL), and the working solution was seeded in a 384-well plate at 6 μL/well. Different compounds dissolved in DMSO were added to the wells using a nanoliter pipettor to obtain final concentrations of the compounds of 1000 nM to 0.244 nM (4-fold serial dilution, 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set; the wells were set in duplicate. After the enzyme and the compounds were incubated at room temperature for 1 h, a 5×, 5 mM ATP dilution (final concentration: 1 mM) in the kinase buffer was mixed with a 5×, 2.5 M substrate (Cisbio, STK Substrate 1-biotin; final concentration: 500 nM) in equal volume, and the mixture was added to the plate at 4 L/well. The plate was sealed with a film and then incubated at room temperature for 2 h. An assay antibody solution was prepared by mixing the antibody STK Antibody-cryptate (Cisbio, 5 μL/test) and a 4×, 500 nM Streptavidin-XL665 (Cisbio; final concentration: 125 nM) in equal volume and added to the plate at 10 μL/well. The plate was incubated at room temperature for 1 h. The signal values (excitation: 665 nm, emission: 620 nm) were measured using a PE Envision multimode microplate reader, and IC50 was calculated by four-parameter fitting.
13117	1	Steroid Inhibition of TBPS Binding	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na—K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 mL) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 mL aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 mM GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 mM unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
10	1	Fluorescence thermal melt assay	Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of Sypro Orange in a microplate format according to Pantoliano et al. Two ug of protein in 20 ul of assay buffer (25mM Tris HCl, pH 8.0, 150mM NaCl, 2 uM Sypro Orange) were subjected to stepwise increase of temperature from 20 to 70 &deg;C and the fluorescence was read at every 1 &deg;C on an ABIPrism 7900HT (Applied Biosystems, Carlsbad, CA, USA). Compounds were dissolved in DMSO (1% final in assay) and tested in quadruplicate at a concentration range between 30 nM to 1000 uM; controls contained 1% DMSO only.
10	2	Thalidomide analog bead assay	To measure compound binding to endogenous CRBN.
11	1	HDAC Activity screening	Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to induce apoptosis or differentiation in cancer cells. The fluorometric assay provides a fast and fluorescence based method that eliminates radioactivity, extractions or chromatography, as used in traditional assays. The assay is based on two steps. First, the HDAC fluorometric substrate, which comprises an acetylated lysine side chain, is incubated with a sample containing HDAC activity (Mouse Liver Extract).  Deacetylation of the substrate sensitizes the substrate; in the second step, treatment with the Trypsin, stop solution produces a fluorophore that can be easily analyzed using fluorescence plate reader. Assay was done in 96-well black microplate and total volume of the assay was 100 mL. Mouse liver enzyme (10 mg/mL) was diluted 1:6 with HDAC buffer. Enzyme cocktail was made of 10 mL of diluted enzyme and 30 mL of HDAC buffer. Forty m
12	1	Protease Inhibition Assays	The inhibition assays were performed in 96-well microtiter plates as follows: 30 uL of the enzyme solution (trypsin [100 ug/mL] or elastase [1.5 U/mL]) and 60 uL of the buffer (50 mM Tris-HCl, 20 mM CaCl2 at pH 7.5) were pipetted into a series of six wells. A total of 10 uL of a 2000 uM peptide solution (microviridin variant) was then added to well 1 and serially diluted up to well 5; well 6 was used as the control. After completing the serial dilution of the sample, 10 uL was taken from well 5 and discarded to maintain the same volume in all wells. The plates were then incubated for 5 min at 37 &deg;C, and subsequently 90 uL of the substrate solution (trypsin assay, N-benzoyl-DL-arginine-4-nitroanilide hydrochloride (BAPNA) [2.17 mg mL-1]; elastase assay, succinyl-Ala-Ala-Ala-p-nitroanilide (Suc-ALA3-pNA) [1 mg mL-1]) was added to each well. The enzymatic activity was measured spectrophotometrically (Varioscan Flash, Thermo Scientific) at 410 nm after incubation at 37 &deg;C for 15 m
13	1	ATPase enzyme assay	Inhibitory activity was assessed under the following conditions: 350 uM ATP/1.5 ug mL&#8722;1 RNA indicated by black; 35 uM ATP/1.5 ug mL&#8722;1 RNA indicated by red; 3.5 uM ATP/1.5 ug mL&#8722;1 RNA indicated by blue; 35 uM ATP/60 ug mL&#8722;1 RNA indicated by green (n = 4, mean +/- standard deviation).
14	1	TR-FRET cereblon binding assay	The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that the thrombin cleavage/ortho nickle step was removed.8b In the assay, 60 nM 6Xhis-tagged CRBN-DDB1 was combined with 30 nM cy5-conjugated cereblon modulator (compound 7) and 3 nM LanthaScreen Eu-anti-His Tag antibody (ThermoFisher catalogue no. PV5596) in 20 mM HEPES pH 7, 150 mM NaCl, 0.005% Tween-20 assay buffer. FRET was observed by exciting at 340 nm and monitoring emission at 615 nm (non-FRET emission) and 665 nm (FRET emission), and FRET efficiency was determined by the ratio of FRET to non-FRET emission (665 nm/615 nm).
15	1	NAD glycohydrolase assay	SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinucleotide (&epsilon;NAD; Sigma-Aldrich, Inc.) as a substrate. This assay consists of measuring the appearance of the fluorescent &#949;ADP-ribose reaction product with excitation (&lambda;exc) and emission (&lambda;em) wavelengths of 310 and 410 nm, respectively, at 37 &deg;C using the thermostatically controlled Spectramax Gemini XPS fluorescence plate reader (100 uL reaction volume; Molecular Devices, LLC) or the thermostatically controlled RF-5301PC spectrofluorophotometer (1 mL reaction volume; Shimadzu Scientific Instruments). The biochemical assay with 100 ug/mL of recombinant SmNACE was carried out in a 10 mM potassium phosphate buffer, at pH 7.4, containing 0.05% (w/v) emulphogen.
16	1	Proteasome Activity Assay	Activity assays were carried out in a 200 uL reaction volume. Different concentrations of test compounds were added to a black flat/clear bottom 96-well plate containing 1 nM of either human constitutive 20S proteasome or 26S proteasome, in 50 mM Tris-HCl at pH 7.5 and allowed to sit for 10 min at RT. Fluorogenic substrates were then added and the enzymatic activity measured at 37 &deg;C on a SpectraMax M5e spectrometer by measuring the change in fluorescence unit per minute for 1 h at 380&#8722;460 nm. The fluorescence units for the vehicle control were set at a 100%, and the ratio of drug-treated sample set to that of vehicle control was used to calculate the fold change in enzymatic activity.
16	2	D2R Binding Assay	Human embryonic kidney (HEK-293) cells were plated in 100 mm plates and transfected with pcDNA3.1-D2R using Lipofectamine 2000 (Invitrogen; Waltham, MA) according to the manufacturer&#39;s instructions. Radioligand binding assays were performed 24 h after transfection essentially as described.
17	1	Microfluidic Mobility-Shift Assay	Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The protein was incubated for 2 h at ambient temperature in a 384-well assay plate (Corning LV, nonbinding surface) in 20 uL of buffer (20 mM 3-(Nmorpholino) propanesulfonic acid, at pH 7.0, 300 mM sodium chloride, 1 mM dithiothreitol, 0.05% L-31, 10 uM fluorescein isothiocyanate-kemptide, 990 uM kemptide, 1 mM ATP, 10 mM magnesium chloride) and various concentrations of cGMP, 8-BrcGMP, 8-pCPT-cGMP, and PET-cGMP (Biolog life science), respectively. Reaction mixtures without cyclic nucleotide were used as controls. A ProfilerPro LabChip (4-sipper mode; PerkinElmer) was used for electrophoretic separation of the substrate and product.
18	1	Liquid growth assay	Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1:3 dilutions spotted on YPD agar supplemented with indicated concentrations of Chivosazole F. Growth was scored after 3 days incubation at 30 &deg;C.
19	1	Fluorometric Ub-AMC Hydrolysis Assay	Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buffer (50 mM HEPES (pH 7.5), 0.5 mM EDTA, 1 mM DTT, and 0.1 mg/mL bovine serum albumin (BSA) (RPI Corporation, Mount Prospect, IL)) at 25&deg;C to determine in vitro IC50 values. 2 nM UCHL1, UCHL5, USP15, USP2, or 2 pM UCHL3 were incubated with increasing concentrations of inhibitor in assay buffer for 5 min at room temperature. To initiate the reaction, 1 uM Ub-AMC was added and the fluorescence signal was detected for 60 s with a 380 nm excitation and 460 nm emission filter set. The data was normalized against a DMSO control, which was treated as 100% enzyme activity, and normalized data was fit to afour-parameter equation with variable slope using GraphPad Prism (La Jolla, CA) to obtain IC50.
20	1	ELISA assay	This assay is an efficient tool for directly measuring inhibition of the BRC4&#8722;Rad51 interaction, at a molecular level, which is described by Rajendra et al.
21	1	Enzyme inhibition assay	The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA which is the HDAC inhibitor on market was used as a positive control. The compounds were diluted to six concentrations (25, 5, 1, 0.2, 0.04 and 0.008 uM/L) to investigate their ability of inhibiting HDAC activity.
23	1	Alpha Screen competitive assay	Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl, 0.1 % BSA, pH 7.4 supplemented with 0.05 % CHAPS and allowed to equilibrate to room temperature prior to addition to plates.
24	1	FRET assay	Dose response curves against Rv2613c with 1 as the substrate for derivatives 5 and 18. 8 nM of Rv2613c were preincubated in buffer (20 mM Tris-HCl (pH 8.0), 50 mM NaCl, 1 mM DTT, 0.2 mg/mL BSA, 5 mM NaH2PO4, 5 mM MgCl2) with indicated amounts of compound solved in DMSO at 25°C for 30 min. Substrate 1 (2 µM in Tris-HCl buffer pH 8.0) was added Measurement of the fluorescence at 570 nm was conducted every 3 min over 1 h. Turnover of probe 1 was calculated by normalization to the intensity of controls. The rate of probe 1 turnover was obtained by linear fitting of probe 1 turnover over time. % Inhibition was calculated relative to the controls. The IC50 was calculated by a non-linear curve fit/dose response curve in Origin.
25	1	IRE-1alpha Assay	A fusion protein comprising glutathione S transferase (GST) and human IRE-1&alpha; (GST-IRE-1&alpha;) obtained from a 500 ml baculovirus-infected insect cell culture can be used to measure IRE-1&alpha; activity in vitro. Five &mu;l of a reaction mixture comprising 1&times; reaction buffer (5&times; reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water is added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution are added to test wells. Three &mu;l of a 128 ng/ml IRE-1&alpha; preparation are added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contain only reaction mixture and test compound. After spinning the plates at 1200 rpm for 30 seconds, 3 &mu;l of an IRE-1&alpha; human mini-XBP-1 mRNA stem-loop substrate 5'-CAGUCCGCAGCACUG-3' (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5' end and Black Hole Quencher 2 (BH2) at the 3' end, are added to each well of a control plate. The plates are again spun at 1200 rpm for 30 seconds. Final concentrations for the assay are: 63 nM IRE-1&alpha; substrate, 5.82 ng IRE-1&alpha; protein, and 2.5 &mu;M test compound. The plates are covered with lids and incubated for one hour at 30&deg; C. The plates are then transferred to an ACQUEST&trade; microplate reader. Data is analyzed using data analysis software, and the percent activity of IRE-1&alpha; is calculated.
26	1	Pseudotyped HCV particle (HCVpp) reporter assay	Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285:110-3) were constructed by cloning the nucleic acids encoding the last 60 amino acids of HCV core protein and all of the HCV E1 and E2 proteins into pcDNA3.1(+) vector. Plasmid pVSV-G expressing the glycoprotein G of the vesicular stomatitis virus (VSV G) is from Clontech (cat #631530). The HIV packaging construct expressing the firefly luciferase reporter gene was modified based on the envelope defective pNL.4.3.Luc-R .E vector (Virology 1995 206:935-44) by further deleting part of the HIV envelope protein.
27	1	Radioligand Binding Assay	Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mMNaCl, 20 mMTrisHCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 uM unlabelled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mMNaCl, 20 mMTrisHCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.
28	1	Biological Assay	Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32&deg; C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1&times; binding buffer (20% SeaBlock, 0.17&times;PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1&times;PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 0.5 &mu;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
29	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1&times;HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37&deg; C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30&deg; C. for 30 min. Compounds were added to a final assay volume of 100 &mu;l and incubated for 30 min at 30&deg; C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &mu;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &mu;l detection solutions (20 &mu;M mAb Alexa700-cAMP 1:1, and 48 &mu;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively.
30	1	cytomteric bead array (CBA) assay	The Fix buffer I was warmed up to 37&deg; C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a 20&deg; C. freezer prior to use. The cells were collected at the end of treatment with testing compounds. One volume of the pre-warmed Fix Buffer I was mixed with one volume of cell suspension. If the volume of the cell suspension is greater than 100 uL, the cells were spun and resuspended in 100 uL medium or PBS. The buffer and the cell suspension were mixed well and incubated in a 37&deg; C. water bath for 10 min. The cells were spun down at 250 g for 10 min and the supernatant was aspirated. The cells were washed once with BD Stain Buffer. The pellet was spun and the supernatant was removed. The cells were vortexed to be loosened, and permeabilized by slowly adding cold Perm Buffer III while vortexing or mixing. Subsequently, the cells were incubated on ice for 30 min. The cells were then spun down and washed twice with Stain Buffer. The supernatant was spun and aspirated. The cells were resuspended in a small volume of Stain buffer (50 or 100 uL containing from 200,000 to 1 million cells). Anti-IKFZ3 antibody was added to the cell suspension at 1:1000 dilution and incubated for 45 min at 4&deg; C. The cells were then spun down and washed once with stain buffer. Secondary antibody was added to the cells at 1:5000 dilution and incubated at room temperature for 20 min in the dark. The cells were washed once with stain buffer prior to analysis by FACS.
31	1	Raf Activity Assay	Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 5 ml per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.25 ml of 40x of a Raf kinase inhibitor test compound diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature. The Raf kinase activity reaction was started by the addition of 5 mL per well of 2xATP diluted in assay buffer. After 3 hours (b-Raf(V600E)) or 1 hour (c-Raf). The reactions were stopped and the phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 10 mL to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:2000 dilution of both beads) in Stop/bead buffer (25 mM EDTA, 50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and incubated for 1 hour at room temperature, then the luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
32	1	Glycocholic acid Uptake Radiometric Assay	ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was determined.
33	1	PHENOSENSE assay	The PhenoSense report form includes drug resistance information for all of the approved nucleoside reverse transcriptase inhibitors (NRTIs), nonnucleoside reverse transcriptase inhibitors (NNRTIs), and protease inhibitors (PIs).
33	2	Anti-HIV Cytoprotection Assay	The in vitro antiviral activity profile for CMX157 was evaluated for cell-type effects and HIV strain effects. It is active against all major subtypes of HIV-1 in PBMCs with EC50 values ranging between 0.20 and 7.18 nanomolar (nM). In a PHENOSENSE assay, EC50s for CMX157 ranged from 0.66 nM for 74V/184V to 57 nM for 62V/69SVG/75I/215I; corresponding EC50s for tenofovir were 227 nM and 16,959 nM respectively (see FIG. 3). CMX157 IC50s for 41L/210W/215Y averaged 6.3 nM without 184V and 2.2 nM with 184V (2,240 and 770 nM for tenofovir respectively).
34	1	LanthaScreen Eu Kinase Binding Assay	DDR1 binding activity was measured by the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation). A test compound and the Alexa Fluor (Registered trademark) 647-labeled Kinase Tracer 178 (manufactured by Life Technologies Corporation) were added to a mixture of DDR1 and the LanthaScreen (Registered trademark) Eu-anti-GST antibody. After reacting at room temperature for one hour, the fluorescence resonance energy transfer was measured. The 50% inhibitory concentration (IC50) was calculated from the inhibition rate relative to the test compound-free control.
35	1	Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland). EC50 Values are determined.
36	1	Enzymatic Chymase Assay	The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for chymase is Abz-HPFHL-Lys(Dnp)-NH2. For the assay, 1 ul of a 50-fold concentrated solution of test substance in DMSO, 24 ul of enzyme solution (dilution 1:80 000 human or 1:4000 hamster) and 25 ul of substrate solution (final concentration 10 uM) in assay buffer (Tris 50 mM (pH 7.5), sodium chloride 150 mM, BSA 0.10%, Chaps 0.10%, glutathione 1 mM, EDTA 1 mM) are combined in a white 384-hole microtitre plate (Greiner Bio-One, Frickenhausen, Germany). The reaction is incubated at 32 degrees for 60 min and the fluorescence emission at 465 nm after excitation at 340 nm is measured in a fluorescence reader, for example Tecan Ultra (Tecan, Mainnedorf, Switzerland). One test compound is tested on the same microtitre plate in 10 different concentrations from 30 uM to 1 nM in a double determination. The data are normalized (enzyme reaction without inhibitor=0% inhibition, all assay components without enzyme=100% inhibition) and IC50 values are calculated using in-house software.
37	1	Omnia Assay	Omnia Assay Protocol for Potency Assessment Against FGFR 4 Enzyme. a) [FGFR4-WT]=10 nM, [ATP]=300 uM, [Y10-Sox]=10 uM (ATP KMapp 300 uM): A 10x stock solution of FGFR4-WT (PR4380C), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 7, was prepared as described below. Alternatively, a 10x stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 7, was prepared as described below. A solution of 1.4xATP (AS001A) and 5x Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in 1x kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &beta;-glycerophosphate, 5% glycerol (10x stock, KB002A) and 0.2 mM DTT (DS001A). 5 uL of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 uL volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EVO100. A second addition of 10 ul of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 uL of 1.4xATP. The reactions were monitored every 71 seconds for 240 minutes at &lambda;ex360/&lambda;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to ~60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
37	2	Omnia Assay	Omnia Assay Protocol for Potency Assessment Against FGFR 4 Enzyme. b) [FGFR4-WT]=2.5 nM, [ATP]=250 uM, [Y10-Sox]=10 uM (ATP KMapp 250 uM): A 10x stock solution of FGFR4-WT (PR4380C), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 7, was prepared as described below. Alternatively, a 10x stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 7, was prepared as described below. A solution of 1.4xATP (AS001A) and 5x Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in 1x kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &beta;-glycerophosphate, 5% glycerol (10x stock, KB002A) and 0.2 mM DTT (DS001A). 5 uL of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 uL volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EVO100. A second addition of 10 ul of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 uL of 1.4xATP. The reactions were monitored every 71 seconds for 240 minutes at &lambda;ex360/&lambda;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to ~60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
38	1	FLAP Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode.
39	1	Cellular Enzyme Assay	G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 ug/ml G418 (Geneticin) at 37&deg; C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
40	1	Cellular Enzyme Assay	G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 ug/ml G418 (Geneticin) at 37&deg; C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2. 5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
41	1	In Vitro Kinase Assay	Candidate compounds were screened by the Kinase-Glo assay (Promega; Koresawa and Okabe, 2004), the results of which are shown in Table 1 and Table 2. A reaction buffer containing 9.6 mM MOPS pH7 and 0.2 nM EDTA pH8 was added to 10 uM SRSF1 RS peptide (NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH (SEQ ID NO: 1)) and 0.1 ug of purified SRPK1 kinase. Candidate compounds were serially diluted from 10 uM-0.5 nM and added to the reaction mixture, wells with omitted SRPK1 kinase and omitted compounds were also added as controls. All wells contained one percent DMSO. One micromolar ATP was added, wells minus ATP were used as background controls. The plate was then incubated at 30&deg; C. for 10 minutes. An equal volume of Kinase-Glo (Promega, 25 ul) was added to each well and the plate read for luminescence using an Fluostar Optima (BMG Labtech).
42	1	FLIPR Ca2+ Flux Assay	Briefly, for intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the orexin-1 receptor (e.g., rat or human) or the orexin-2 receptor (e.g., rat or human), are grown in Iscove's modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &mu;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at approximately 20,000 cells per well into 384-well clear bottom sterile plates coated with poly-D-lysine. The seeded plates are incubated overnight at 37&deg; C. and 5% CO2. Human ala-6,12 orexin-A can be used as the agonist and prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then in assay buffer. On the day of the assay, cells are washed 3 times with 100 &mu;l assay buffer and then incubated for 60 minutes (37&deg; C., 5% CO2) in 60 &mu;l assay buffer containing 1 &mu;M Fluo-4 AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &mu;l assay buffer. 30 &mu;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &mu;l, incubated for 5 minutes, and then 25 &mu;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes, and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM of agonist ala-6,12 orexin-A with buffer in place of test compound.
43	1	FGFR-4 wild type assay at Km	In each well of a 384-well plate, 0.5 ng/ul of wild type FGFR-4 (Carna Biosciences, Inc.) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM CSKtide (5-FAM-KKKKEEIYFFFG-NH2) and 400 uM ATP at 25&deg; C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper LabChip EZ Reader II (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream Voltage -3000, post sample sip 35S).
43	2	Alpha Elisa Assay	MDA-MB453 cells were plated in 96-well cell culture plates at a density of 1x105 cells. Cells were allowed to attach, and growth media was replaced with serum free media. Compounds were added at the indicated concentrations. Following 1 hr incubation in the presence of compound, cells were collected. Cell lysates were prepared and processed according to manufacturer instruction (AlphaScreen SureFire Phospho-ERK 1/2 Kit (Perkin Elmer).
44	1	Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25&deg; C. with 0.8 uL compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 uL of assay buffer containing 0.4 uM Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25&deg; C. Reactions were stopped by addition of 10 uL 1x LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
45	1	Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25&deg; C. with 0.8 uL compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 uL of assay buffer containing 0.4 uM Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25&deg; C. Reactions were stopped by addition of 10 uL 1x LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
46	1	HIF-PH Assay	Ketoglutaric acid &alpha;-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide may be obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay may be fragments of HIF&alpha; as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. For example, a HIF peptide for use in the HIF-PH assay is [methoxycoumarin]-DLDLEALAPYIPADDDFQL-amide. HIF-PH, e.g., HIF-PH2 (EGLN1), can be expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity is determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contain 50 mM HEPES (pH 7.4), 100 uM &alpha;-ketoglutaric acid sodium salt, 0.30 uCi/mL ketoglutaric acid &alpha;-[1-14C]-sodium salt, 40 uM FeSO4, 1 mM ascorbate, 1541.8 units/mL Catalase, with or without 50 uM peptide substrate and various concentrations of compound of the disclosure. Reactions are initiated by addition of HIF-PH enzyme.
47	1	Acetyl-Histone Binding Assay	Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM NaCl, 0.1% w/v BSA, and 0.01% w/v Tween 20 at pH 7.5 and allowed to equilibrate to room temperature prior to addition to plates. After addition of Alpha beads to master solutions, all subsequent steps were performed in low light conditions. A 2x solution of components with final concentrations of BRD4.1 at 80 nM, Ni-coated Acceptor Bead at 25 ug/ml, and 80 nM biotinylated H4-tetra acetyl was added in 10 uL to 384-well plates (AlphaPlate-384, PerkinElmer, USA). Biotinylated peptide for BRD4.1 was synthesized in-house on a CEM Liberty 9008005 microwave peptide synthesizer: H4-tetra acetyl, biotin-PEG2-SGRGKacGGKacGLGKacGGAKacRHRK-COOH. Addition to wells was performed with either a multichannel pipet (for optimization experiments) or a Biotek EL406 liquid handler. After a 1000-rpm spin-down for 1 minute, 100 nL of the solutions of the compounds of the invention from stock plates were added by pin transfer using a Janus Workstation (PerkinElmer, USA). The streptavidin-coated donor beads (25 ug/ml final) were added as with previous solution in a 2x, 10 uL volume. Following this addition, the plates were sealed with foil to block light exposure and to prevent evaporation. The plates were spun down again at 1000 rpm for 1 minute. Next, the plates were incubated in the room with the plate reader (for temperature equilibration) for 1.5 hour prior to reading the assay. AlphaScreen measurements were performed on an Envision 2104 (PerkinElmer, USA) utilizing the manufacturer's protocol.
48	1	Caco-2 cells assay	To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Culture Collection, Manassas, Va.) at 37&deg; C. in air, according toXia et al. (Expression, localization and functional characteristics of breast cancer resistance protein in Caco-2 cells. Drug Met. Disp., 33 (5): 637-643 (2005)). Prior to each experiment, the confluent cell monolayers on Transwell inserts are washed and equilibrated for 30 minutes with transport media (Hank's balanced salt solution (HBSS) containing 10 mM of N-2-hydroxyethyl-piperazine-N'-2-ethanesulfonic acid (HEPES) and 10 mM of glucose, pH 7.4). The experiment is initiated by adding a solution containing the 3H-digoxin (25 nM, substrate for p-gp), or 3H-E3S (17 nM, substrate for BCRP) to either the apical (for A-to-B transport) or basolateral (for B-to-A transport) compartment in the absence or presence of various concentrations of Compound (I-1) or Ko143. At preset time points, 0.05 mL aliquot of receiving solutions are sampled from the basolateral side (for A-to-B transport) or from the apical side (for B-to-A transport), and replaced immediately with an equal amount of fresh transport media except at the last time point (the end of the incubation). The radioactivity in each sample is measured by 1450 MicroBeta TriLux, a microplate scintillation and luminescence counter (PerkinElmer Life Sciences). Radioactivity (3H) of the dosing solution is measured and used to calculate the initial donor concentration of the substrate.
49	1	c-Met In Vitro Kinase Assay	Optiplate-384 well plate (PerKinElmer), kinase buffer (50 mM Hepes pH7.5, 25 mM NaCl, 2 mM DTT, 0.01% Tween 20, 5 mM Mg2+, 0.5 mM Mn2+), c-Met kinase (1038-1346AA, prepared in-house), c-Met substrate (PerKinElmer, #TRF0127-M), Lance@Eu-W 1024-anti-phosphotyrosine (PT66), (PerKinElmer, #AD0068), ATP (Invitrogen), DMSO (Sigma, #34869), water (Millipore, model Milli-Q). A mixture of c-Met kinase (final concentration 12.5 nM) and test compound (final DMSO is 0.5%) is pre-incubated at 30&deg; C. for 20 min. Then ATP (final concentration 2.5 uM) and kinase substrate (final concentration 50 nM) are added. The resulting mixture is kept at 30&deg; C. for 1 hr, followed by addition of the c-Met antibody. After 1 hr, the plate is read at 615 nm and 665 nm. The ratio of absorption values at 665 nm and 615 nm is calculated and used for the data analysis as follows. This assay has a Minimum Significant Ratio (MSA) of 2-3.
50	1	Radioligand Binding Assay	The compounds of invention were solubilized and carried through serial dilutions using 100% DMSO. Aliquots from the compound serial dilutions were further diluted 25 fold into assay buffer (50 mM Tris-Cl pH 7.5, 5 mM MgCl2, 0.005% Triton X-100) and transferred (volume 50 ul) into 96 well assay plates. [125I]-CGRP (GE Healthcare or Perkin-Elmer) was diluted to 72 pM in assay buffer and a volume of 50 ul was added to each well. SK-N-MC membranes were thawed, diluted in assay buffer with fresh 0.1% mammalian protease inhibitor cocktail (Sigma), and re-homogenized. SK-N-MC homogenate (7 ug/well) was added in a volume of 100 ul. The assay plates were then incubated at room temperature for 2 h. Assays were stopped by addition of excess cold wash buffer (50 mM Tris-Cl pH 7.5, 0.1% BSA) immediately followed by filtration over glass fiber filters (Whatman GF/B) previously soaked in 0.5% PEI. Non-specific binding was defined with 1 uM beta-CGRP (Bachem). Protein bound radioactivity was determined using a gamma or scintillation counter. The resulting data was analyzed using a four parameter competitive binding equation (XLfit v2.0) and the IC50 was defined as the concentration of a compound of invention required to displace 50% of radioligand binding. Final assay concentration of [125I]-CGRP was 18 pM. The mean Kd for [125I]-CGRP is 25.4 pM. All compounds of invention were evaluated in at least two separate experiments.
51	3	Amplified Luminescent Proximity Homogeneous Assay (ALPHA)	The interactions between test compounds and BRD4 protein containing both bromodomain 1 and bromodomain 2 were measured with human BRD4 protein with N-terminal His tag (BPS Bioscience, San Diego, Calif.) using AlphaScreen&reg; assay at room temperature. A 9 &mu;l reaction mixture in BRD Assay Buffer (BPS Bioscience) containing 25 nM BRD4 and test compounds at various concentrations were incubated for 30 minutes followed by additional 30-minute incubation with 1 &mu;l of 20 M histone H4 peptide (residue 1-21) in the presence of 5% DMSO. Test compounds (see Table 4) were assayed at 10 &mu;M or 31.6 &mu;M for screening purpose, while 8 different concentrations (10 nM-10 &mu;M) were used for IC50 measurements. After the incubation, 20 &mu;l of BRD Detection Buffer (BPS Bioscience) containing 10 &mu;g/ml Glutathione Acceptor beads and 10 &mu;g/ml Streptavidin Donor beads (PerkinElmer, Waltham, Mass.) was added and the mixture was incubated for 50 minutes in darkroom. Binding measurements were taken in duplicate at each concentration using EnSpire&reg; Alpha Multimode Plate Reader Model 2390 (PerkinElmer).
52	1	LANCE LSD1/KDM1A Demethylase Assay	10 &mu;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25&deg; C. with 0.8 &mu;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &mu;L of assay buffer containing 0.4 M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25&deg; C. Reactions were stopped by addition of 10 &mu;L 1&times; LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
53	1	Enzyme-Linked Immunosorbent Assay (ELISA)	Inhibition of Compound IIa, IIb, IIc and IId on the Activity of Catalyzing Substrate Phosphorylation of KDR (VEGFR2) Protein Tyrosine Kinase at the Molecular Level.
53	2	Fluorescence Detection	Enzymatic activity was tested in 96-well or 384-well flat microwell plate by fluorescence detection and taking Ac-Lys-Tyr-Lys(Ac)-AMC as substrate. The tested samples was firstly formulated to be a 10&#8722;2 M stock solution in DMSO, subpackaged and storaged at &#8722;20&deg; C., and then diluted to required concentration with reaction buffer before use. Substrate Ac-Lys-Tyr-Lys (Ac)-AMC was deacetylated by HDAC1, and the fluorescence signal of the product AMC obtained by enzyme hydrolysis was detected at 355 nm or 460 nm by a fluorescence detector. The initial reaction speed was calculated by detecting the change of fluorescence signal with time.
54	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1&times; Pen/Strep, 1&times; sodium pyruvate, 10 mM HEPES, 600 &mu;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1&times; Pen/Strep, 600 &mu;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1&times; with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K&times;G, 5 min at 4&deg; C.), the supernatant was aspirated and the pellets frozen and stored at &minus;800; C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &mu;M almorexant. The total volume of each reaction is 200 &mu;L (20 &mu;L of diluted compounds, 80 &mu;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &mu;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55&deg; C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
54	2	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1&times; Pen/Strep, 1&times; NaPyruvate, 10 mM HEPES, 600 g/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1&times; with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K &times;G, 5 min at 40&deg; C.), the supernatant was aspirated and the pellets frozen and stored at 800&deg; C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &mu;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 M almorexant. The total volume of each reaction is 200 &mu;L (20 &mu;L of diluted compounds, 80 &mu;L of [3H]-EMPA diluted in PBS and 100 &mu;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55&deg; C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
55	1	Guanidine Influx Assay	A radiotracer flux assay used to determine ion flux activity of voltage-gated sodium channels in a high-throughput microplate-based format. The assay uses 14C-guanidine hydrochloride in combination with various known voltage-gated sodium channel modulators that produce maintained influx, to assay the potency of test agents.
56	1	KLK7 Assay	Materials: Recombinant human KLK7, Substrate S-2586 (Chromogenics, cat. no. 820894) KLK7 activity was determined at 37&deg; C. in 10 mM Na phosphate pH 7.2, 0.5 M NaCl, with final concentrations of 2.5 ug/ml (100 nM) of KLK7, 1.0 mM substrate, 5% DMSO in the presence of 0 uM, 0.1 uM, 0.5 uM, 1.0 uM and 5 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	2	KLK5 Assay	Materials: Recombinant human KLK5, Substrate S-2288 (Chromogenics, cat. no. 820852) KLK5 activity was determined at 37&deg; C. in 0.1 M Tris, pH 8.0, 0.15 M NaCl, with final concentrations of 2.5 ug/ml KLK5, 1 mM substrate, 5% DMSO in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	3	KLK14 Assay	Materials: Recombinant human KLK14, Substrate S-2302 (Chromogenics, cat. no. 820340). KLK14 activity was determined at 37&deg; C. in 0.1 mM Tris, pH 8.0, 0.15 M NaCl, with final concentrations of 0.26 ug/ml (9.4 nM) of KLK14, 0.75 mM substrate, 5% DMSO, in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	4	Cathepsin G Assay	Materials: Cathepsin G, 100 mU (VWR, Calbiochem, cat. no. 219373), Substrate Cathepsin G substrate (VWR, Calbiochem, cat. no. 219407). Cathepsin activity was determined at 37&deg; C. in 10 mM Na phosphate pH 7.2, 0.5 M NaCl, with final concentrations of 1.5 mU/ml (0.75 ug/ml, 32 nM) of Cathepsin G, 0.75 mM substrate, 5% DMSO, in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	5	Chymotrypsin Assay	Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determined at 37&deg; C. in 10 mM Na phosphate pH 7.2, 0.5M NaCl, with final concentrations of 0.2 ug/ml (6.8 nM) of Chymotrypsin, 1 mM substrate, 5% DMSO in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	6	Trypsin Assay	Materials: Trypsin, 100 ug (Roche, sequence grade, Mw 23500), Substrate S-2288 (Chromogenics, cat. no. 820852).  Trypsin activity was determined at 37&deg; C. in 10 mM Na phosphate pH 7.2, 0.5 M NaCl, with final concentrations of 0.8 ug/ml (34 nM) of Trypsin, 1 mM substrate, 5% DMSO in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
56	7	Thrombin Assay	Materials: Thrombin (Chromogenics, cat. no. 820712), Substrate S-2288 (Chromogenics, cat. no. 82 08 52). Thrombin activity was determined at 37&deg; C. in 50 mM Tris, pH 8.3, 130 mM NaCl, with final concentrations of 1 pkat/ml (0.03 ug/ml, 88 pM) of thrombin, 0.5 mM substrate, 5% DMSO in the presence of 0 uM, 0.1 uM, 1.0 uM and 10 uM of inhibitor, in 96 well plates by measuring absorbance at 405 nm in a plate reader (Spectramax).
57	1	5HT3 In Vitro Assay	The 5HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux activity of 3HT3a receptor expressed in HEK-293T cells. HEK-293T cells were transfected with the 5HT3a expression construct using Xtreme Gene 9 (Roche) in 150 mm tissue culture treated plates and incubated for 24 hours at 37&deg; C. Cells were then split and plated at a density of 60K cells/well in poly-lysine coated, black 96-well plates with clear bottoms (BD BioSciences) and incubated overnight at 37&deg; C. Growth media was removed and cells loaded with 200 uL calcium indicator dye in HBSS containing 20 mM HEPES (Calcium 5 Assay kit, Molecular Devices) and incubated at 37&deg; C. for 1 hour. While cells were incubating, the 10x antagonist and agonist/antagonist addition plates were made. For 10x antagonist plate: half log serial dilutions (final concentrations range from 10&#8722;7 through 10&#8722;10 with the bottom well a negative, no ligand control) were made from test compounds in DMSO at a 1000x concentration and then diluted to 10x in HBSS/20 mM HEPES. For addition plate: 5HT was diluted to 100x in HBSS/20 mM HEPES (final concentration in the assay-216 nM) and 15 uL was added to each well of the addition plate, 15 uL of 10x compound was also added to the addition plate, and finally 120 uL of HBSS/20 mM HEPES (for a total of 150 uL). Cells were then removed from the incubator and equilibrated to room temperature for 10 minutes, then 22.5 uL of 10x test compounds were added in triplicate to the plates and incubated at room temperature for 10 minutes (Tropisetron was used as a positive control in every assay). Test plate and addition plate were loaded into the FlexStation III (Molecular Devices), and using the fluidics, 22.5 uL compound additions were made (at t=17 seconds), and fluorescence was measured for 90 seconds, reading every 2.2 seconds. Data sets were analyzed as max minus min using Software Max Pro (Molecular Devices). IC50 curves were generated using non-linear regression in GraphPad Prism.
58	2	Fluorescence-based hOGA	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&beta;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human &beta;-hexosaminidase enzyme used in the reaction was 24 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production was determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. The values for a four parameter logistic curve fit of the data were determined.
59	1	ITK Inhibitor Binding Kinetics	This assay is based on the binding of a proprietary, Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to the ITK expression construct in the presence of a Europium-conjugated antibody, resulting in a FRET (fluorescence resonance energy transfer) signal. Displacement of the kinase tracer by compound results in a lower emission ratio upon excitation of the Europium chelate. Candidate compounds are designed as potential irreversible inhibitors of ITK, capable of ligating to an active site cysteine residue resulting in time dependent covalent binding. The time dependent nature of irreversible inhibition is investigated by performing the binding assay with and without a pre-incubation of compound and ITK.
59	2	ITK Target Modulation PLC-gamma Assay	Compounds were serially diluted into DMSO, and then into media to concentrations 10× that of the final assay concentration. Compounds were then added to the cells with the final assay DMSO concentration being 0.1%. Cells were incubated for 1 hour at 37&deg; C. Following compound incubation, &alpha;CD3 Dynabeads were added at 1 bead/cell to each assay well and incubated at 37&deg; C. for 7 minutes. Unstimulated control wells received media only. The plate was then placed on a 96-well magnetic plate for an additional 60 seconds (total assay stimulation time equals 8 minutes). The plate was then dumped and gently patted dry on a paper towel. 50 ul of complete Meso Scale Discovery (MSD) Lysis buffer was then added to each well. Samples were assayed for phospho-PLC&gamma;1 using Meso Scale Discovery technology.
60	1	Human Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
63	2	LanthaScreen Kinase Assay	The kinase reaction is performed in a white 384 well microtitre plate. The total reaction volume is 20 ul per well and the reaction buffer composition is 50 mM HEPES pH7.5, 0.01% Polysorbate 20, 1 mM EGTA, 10 mM MnCl2, and 2 mM DTT. In the first step, each well receives 2 ul of test compound in 20% dimethylsulphoxide resulting in a 2% DMSO final concentration. Next, 8 ul of mTOR diluted in reaction buffer is added per well for a 60 ng/ml final concentration. To start the reaction, 10 ul of an ATP/GFP-4EBP1 mixture (diluted in reaction buffer) is added per well for a final concentration of 10 uM ATP and 0.5 uM GFP-4EBP1. The plate is sealed and incubated for 1 hour at room temperature. The reaction is stopped by adding 10 ul per well of a Tb-anti-pT46 4EBP1 antibody/EDTA mixture (diluted in TR-FRET buffer) for a final concentration of 1.3 nM antibody and 6.7 mM EDTA. The plate is sealed, incubated for 1 hour at room temperature, and then read on a plate reader set up for LanthaScreen TR-FRET.
63	1	PI 3-Kinase HTRF Assay	Briefly, the assay is a time resolved FRET assay that indirectly measures PIP3 product formed by the activity of a PI3-K. The kinase reaction is performed in a microtitre plate (e.g., a 384 well microtitre plate). The total reaction volume is approximately 20 ul per well. In the first step, each well receives 2 ul of test compound in 20% dimethylsulphoxide resulting in a 2% DMSO final concentration. Next, approximately 14.5 ul of a kinase/PIP2 mixture (diluted in 1x reaction buffer) is added per well for a final concentration of 0.25-0.3 ug/ml kinase and 10 uM PIP2. The plate is sealed and incubated for 15 minutes at room temperature. To start the reaction, 3.5 ul of ATP (diluted in 1x reaction buffer) is added per well for a final concentration of 10 uM ATP. The plate is sealed and incubated for 1 hour at room temperature. The reaction is stopped by adding 5 ul of Stop Solution per well and then 5 ul of Detection Mix is added per well. The plate is sealed, incubated for 1 hour at room temperature, and then read on an appropriate plate reader.
13118	1	Binding Assay	Receptor binding assays were performed in 96-well format in deep-well plates. For each 96-well plate one ampulle of membrane homogenate was thawed and diluted in binding buffer (50 mM Tris pH=7.4, 100 mM KCl) and 200 μL was dispensed into each well. Radioligand [3H]Ro151788 (Perkin Elmer: NET757250UC) was prepared in binding buffer and added to each well in 50 μL volume to give final concentration of 0.5 nM. Test compounds in suitable concentration(s) were added in additional 50 μL. The final assay volume was 300 μL. Incubation was carried out for 60 minutes at 4° C. For non-specific binding 10 μM unlabeled diazepam was used. After incubation samples were filtered over UniFilter® GF/B™ using Filtermate Harvester (Perkin Elmer) and washed with 5×1 mL binding buffer. The plate was dried at 40° C. for an hour and 40 μL Microscint (Perkin Elmer) scintillation cocktail was added to each well. The plate was read in Microbeta (Perkin Elmer).
64	1	FAAH Assay	All reagents were purchased from Sigma-Aldrich unless specified. Human and Rat Fatty Acid Amide Hydrolase (FAAH) genes used in assay have been described by Patricelli et al. (Biochemistry. 1998, 37(43), 15177-87). The transmembrane domain-deleted Fatty Acid Amide Hydrolase (FAAH) genes were cloned into pET15b (Novagen, #69661) (human FAAH)/pET 28a (Novagen, #69864-3) (rat FAAH gene) plasmids and expressed in E coli BL21 DE3. Chaperone protein groEL-groES in pGRO7 plasmid (Takara Bio Inc, Japan) was co-expressed with Fatty Acid Amide Hydrolase (FAAH) to improve solubility of the protein expressed in E coli. The protein was expressed and enriched as described in Mileni et al. (Proc Natl Acad Sci USA. 2008, 105(35),12820-4). Briefly, the bacterial cultures in Luria Broth (2 L) were induced with arabinose (2 mM) and Isopropyl (&#946;-D-1-thiogalactopyranoside, IPTG (1 mM), for 20 h at room temperature. The cultures were centrifuged at 1200×g for 10 min and the cell pellet was resuspended in 100 mL buffer containing of 20 mM NaPi (pH 7.4), 100 mM NaCl, Benzonase (500u), Aprotinin (1 &#956;g/mL) and Leupeptin (1 &#956;g/mL). Cells were lyzed by sonication (Amp 20%, Pulse 15 s×15, on ice) and the cell debris removed by centrifugation at 5000×g for 20 min. The supernatant was enriched via ultracentrifugation at 100,000×g for 1 h and the cell pellet was resuspended in 16 mL buffer containing 20 mM NaPi (pH 7.8), 500 mM NaCl, 1% Triton X-100. The resuspended cell extract was subjected to ultra-centrifugation at 100,000×g for 1 h and the enriched supernatant was used in the in vitro assay. All protein extraction steps were carried out on ice or at 4° C.
65	1	cAMP Assay	The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15630-056) and 0.1% BSA (7.5% stock, Invitrogen Cat#15260-037); (b) Buffer 2: 0.5 mM IBMX (200 mM stock in DMSO, Sigma 15879) in Buffer 1; (c) 1 uM cAMP Standard (50 uM stock, Perkin Elmer Cat#AD0262) diluted in Buffer 2 and serially diluted in Buffer 2, 12 doses @1/2 dilutions resulting in a dose range of 1 uM to 0.5 nM; (d) d2 labelled cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 6 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); (e) anti-cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 5 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); and (f) Forskolin (Sigma Cat#F6886, 10 mM in DMSO) diluted first in DMSO to 1 mM and then to 1.5 uM in Buffer 2. A FLEXDROP (Perkin Elmer) was cleaned with ethanol then water, and primed with Buffer 2. A 384 well V bottom polypropylene plate containing d2 labelled cAMP and a second 384 well V bottom polypropylene plate containing anti-cAMP was prepared (50 ul per well). Media as "dumped~ from the cell plate and 30 uL Buffer 1 was added to each well using a Multidrop. The content of the cell plate was again "dumped" and 10 uL Buffer 2 was added to each well using a Flexdrop. 12.5 nL test compound dilutions or control compound dilutions (10 mM to 0.5 uM) were added to the cell plate using an ECHO 555 (Labcyte). The cell plate was mixed (Speed 6, Lab-Line Instruments Titer Plate Shaker) and centrifugated (1000 RPMs, 1 min). Using the Flexdrop, 2 ul additions were made into the cell plate: Buffer 2 was added to Column 24; and, 1.5 uM Forskolin was added to columns 1 through 23. Final volume of the cell plate was 12 ul with 250 nM Forskolin in all wells except column 12, and serial dilutions of test compound or control ranging from 10 uM to 0.5 nM. The cell plate was again mixed (speed 6) and centrifugated (1000 RPMs, 1 min). The cell plate was incubated for 30 minutes at room temperature (~27&deg; C.). The contents of row P were removed and the cAMP standard dilutions were added in duplicate to Row P (P1-12 and P13-24). After incubation, 6 uL d2 labelled cAMP and 6 uL of Anti-cAMP were added to all wells of the cell plate using a BioMek FX (Beckman Coulter). The cell plate was again mixed (speed 6) and centrifugated (1000 RPMs, 1 min) and was incubated for 60 minutes in the dark at room Temp (~27&deg; C.). After this final incubation, the cell plate was read in HTRF mode (fluorescence at 665 nm and 620 nm) on an Envision plate Reader (Perkin Elmer). The Envision reader outputs a ratio of channel 1/channel 2 fluorescence 10,000 (Normalized signal (NS)). Amount of cAMP in nM was calculated for each well (based on NS) from a cAMP standard curve located on each plate (at P1-12 and P13-24).
66	1	Radioligand Binding Assay	Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 &#956;L. CHO cell membranes stably expressing either the hM1, hM2, hM3, hM4 or hM5 muscarinic subtype were diluted in assay buffer to the following specific target protein concentrations (&#956;g/well): 10 &#956;g for hM1, 10-15 &#956;g&#9633;for hM2, 10-20 &#956;g&#9633;for hM3, 10-20 &#956;g&#9633;for hM4, and 10-12 &#956;g&#9633;for hM5 to get similar signals (cpm). The membranes were briefly homogenized using a Polytron tissue disruptor (10 seconds) prior to assay plate addition. Saturation binding studies for determining KD values of the radioligand were performed using L-[N-methyl-3H]scopolamine methyl chloride ([3H]-NMS) (TRK666, 84.0 Ci/mmol, Amersham Pharmacia Biotech, Buckinghamshire, England) at concentrations ranging from 0.001 nM to 20 nM. Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a concentration of 400 &#956;M in dilution buffer and then serially diluted 5× with dilution buffer to final concentrations ranging from 10 pM to 100 &#956;M. The order of addition and volumes added to the assay plates were as follows: 25 &#956;L radioligand, 25 &#956;L diluted test compound, and 50 &#956;L membranes. Assay plates were incubated for 6 hours at 37° C. Binding reactions were terminated by rapid filtration over GF/B glass fiber filter plates (PerkinElmer, Inc.) pre-treated in 1% BSA. Filter plates were rinsed three times with wash buffer (10 mM HEPES) to remove unbound radioactivity. The plates were then air-dried and 50 &#956;L Microscint-20 liquid scintillation fluid (PerkinElmer, Inc.) were added to each well. The plates were then counted in a PerkinElmer Topcount liquid scintillation counter (PerkinElmer, Inc.).
66	2	cAMP assays	cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, PerkinElmer Life Sciences Inc., Boston, Mass.), according to the manufacturers instructions. For this assay, HEK-293 cell lines stably expressing cloned human &#946;1 or &#946;2 receptors were grown to near confluency in DMEM supplemented with 10% FBS and Geneticin (500 &#956;g/mL); or CHO-K1 cell lines stably expressing cloned human &#946;3 adrenergic receptors were grown to near confluency in Hams F-12 media supplemented with 10% FBS and Geneticin (250 &#956;g/mL). Cells were rinsed with PBS and detached in dPBS (Dulbecco&#39;s Phosphate Buffered Saline, without CaCl2 and MgCl2) containing 2 mM EDTA or Trypsin-EDTA solution (0.05% trypsin/0.53 mM EDTA). After counting cells in Coulter cell counter, cells were pelleted by centrifugation at 1,000 rpm and resuspended in stimulation buffer containing IBMX (PerkinElmer Kit) pre-warmed to room temperature to a concentration of 1.6×106 to 2.8×106 cells/mL. About 40,000 to 80,000 cells per well were used in this assay. Test compounds (10 mM in DMSO) were diluted into PBS containing 0.1% BSA in Beckman Biomek-2000 and tested at 11 different concentrations ranging from 100 &#956;M to 1 pM. Reactions were incubated for 10 min at 37° C. and stopped by adding 100 &#956;L of cold detection buffer containing [125I]-cAMP (NEN SMP004, PerkinElmer Life Sciences, Boston, Mass.). The amount of cAMP produced (pmol/well) was calculated based on the counts observed for the samples and cAMP standards as described in the manufacturer&#39;s user manual. Data were analyzed by nonlinear regression analysis with the GraphPad Prism Software package (GraphPad Software, Inc., San Diego, Calif.) with the sigmoidal equation. The Cheng-Prusoff equation (Cheng Y, and Prusoff W H., Biochemical Pharmacology, 1973, 22, 23, 3099-108) was used to calculate the EC50 values.
67	1	Cellular In Vitro Assay	On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates and kept in a cell incubator (96% humidity, 5% v/v CO2, 37&deg; C.). On the day of the assay, the culture medium is replaced by a Tyrode solution (140 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 20 mM glucose, 20 mM HEPES), which additionally contains the cofactor coelenterazine (50 &mu;M), and the microtiter plate is then incubated for a further 3-4 hours. The test substances in various concentrations are placed for 10 to 20 minutes in the wells of the microtiter plate before the agonist [Arg8]-vasopressin is added, and the resulting light signal is measured immediately in the luminometer.
68	1	Enzyme inhibition assay	cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cytotechnology 1998, 15, 1-13). [Ca2+]i measurements were performed on mGlu 5a transfected EBNA cells after incubation of the cells with Fluo 3-AM (obtainable by FLUKA, 0.5 &#956;M final concentration) for 1 hour at 37° C. followed by 4 washes with assay buffer (DMEM supplemented with Hank&#39;s salt and 20 mM HEPES. [Ca2+]i measurements were done using a fluorometric imaging plate reader (FLIPR, Molecular Devices Corporation, La Jolla, Calif., USA). When compounds were evaluated as antagonists they were tested against 10 &#956;M glutamate as agonist.
69	1	Androgen Receptor Assay	Androgen binding is measured using the hydroxylapatite (HAP) assay. In brief, the radioactive steroid [3H]R1881 solubilized in ethanol is diluted with buffer B (10 mM Tris-HCl, 1.5 mM EDTA disodium salt, 10 mM &#945;-monothioglycerol, pH 7.4). Aliquots of the cell or prostate cytosol preparation (0.1 ml) are then incubated with 5 nM [3H]R1881 (0.1 ml, 100 000 cpm) in the presence or absence of the indicated concentrations of unlabeled compounds (0.1 ml, prepared in buffer B containing 30% ethanol) for 16-18 h at 0-4° C. Triamcinolone acetonide (TAC; 100 nM) is added to mask progesterone receptors. Unbound steroids are separated by incubation for 40 min at 0-4° C. with 0.3 ml HAP prepared in buffer P (50 mM Tris-HCl, 10 mM KH2PO4, pH 7.4). After incubation with HAP and 10 min of centrifugation at 1000×g, the pellet is washed 3 times with 1 ml of buffer P. Thereafter, the radioactivity is extracted from the pellet by incubation at room temperature for 60 min with 1 ml of ethanol. After centrifugation, the supernatant is decanted into a scintillation vial and the pellet is extracted again with ethanol. After the addition of scintillation liquid, the radioactivity is measured in a liquid scintillation counter.
70	1	Luciferase Assay	Using ONE-Glo Luciferase Assay System (Promega Corporation, No. E6110), the luciferase activity of the cells in the wells was measured by a microplate reader (Synergy H1, BioTek Instruments, Inc.) An IC50 value was calculated from the luminescence intensity of each compound concentration, supposing that the luminescence intensity of a group with no addition of the compound and with Wnt-3a stimulation was 100%, and that the luminescence intensity of a group with no addition of the compound and with no Wnt-3a stimulation was 0%.
71	1	MLC Phosphorylation Assay	Rat smooth muscle cell line A7r5 is used. The endogenous expression of ROCK results in a constitutive phosphorylation of the regulatory myosin light chain at T18/S19. A7r5 cells were plated in DMEM supplemented with 10% FCS in multiwall cell culture plates. After serum starvation overnight, cells were incubated with compounds in serum-free medium. Quantification of MLC-T18/S19 phosphorylation is assessed in 96 well-plates via ELISA using a phospho-MLC-T18/S19 specific antibody and a secondary detection antibody. Raw data were converted into percent substrate phosphorylation relative to high controls, which were set to 100%. EC50 values were determined using GraphPad Prism 5.01 software using a nonlinear regression curve fit with variable hill slope.
72	1	Biological  Enzymatic Assay	Flag tagged Human recombinant MetAP2 expressed and isolated for use as the enzyme source. 10 mM stock solutions of compounds were prepared in 100% DMSO and further diluted in 100% DMSO required concentration to 1 mM stocks. The stock compound solutions and DMSO vehicle controls were diluted to target final compound concentrations using assay buffer to a final concentration of 50 mM HEPES containing 100 mM NaCl, pH adjusted to 7.5. The MAS peptide was formulated to a 7.5 mM stock in distilled water and prior to use further diluted 1:4. Amino acid oxidase was prepared as a stock solution (6.2 mg/ml) and prior to use further diluted 1:49.6 in distilled water. A 250 &#956;M solution of MnCl2 was prepared in advance of thawing an aliquot of MetAP2 enzyme. 40 &#956;l of enzyme was mixed with 100 &#956;l of MnCl2 then further diluted in assay buffer to a final concentration of 16 &#956;g/ml. To test for compound effect on MetAP2 enzyme activity, 5 &#956;l of test compound, 10 &#956;l of MAS substrate/amino acid oxidase mixture, 10 &#956;l of MetAP2 was added to test wells in a 384 well black plate with blank wells containing no enzyme, replaced with 10 &#956;l of assay buffer. All compounds were tested in duplicate on two occasions on the same day. The final in well concentrations of the assay were: 1% DMSO, 0.272 &#956;g/ml MetAP2, 10 &#956;M MnCl2, 50.0 &#956;g/ml (0.225 U/ml) amino acid oxidase, and 0.75 mM MAS. The plate was sealed with a TopSeal A cover and mixed briefly on an orbital mixer at 900 rpm. The plate was incubated for a further 25 minutes at 25° C. A 5× stock of Amplex buffer was prepared (0.25M sodium phosphate, pH 7.4) and stored at 4° C. When preparing for use the stock was diluted with distilled water Amplex Ultraread stock solution was prepared at 2.57 mg/ml in 100% DMSO and stored in 50 &#956;l aliquots at &#8722;20° C. 20 &#956;l of 505 U/ml. Horse radish peroxidase was diluted in 990 ml of Amplex buffer, 100 &#956;l of this was combined with 50 &#956;l of Amplex Ultrared in 4850 ml of 1× Amplex buffer to generate sufficient detection reagent for a 384 well plate. 25 &#956;l detection reagent was added to each well of the test plate, which was re-sealed and mixed briefly on an orbital shaker. The plate was transferred to an Envision Multi-label reader and RFU measured corresponding to excitation 531 nm and emission 595 nm At the end of the MetAP2 incubation 25 &#956;l Amplex/HRP mixture per well was added and the plate read plate on a plate reader.
73	1	OPRK1 antagonist assay	The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid linker, followed by the TEV protease cleavage site and a GAL4-VP16 fusion protein. The cell line also expresses a b-arrestin-2-TEV protease fusion protein and contains a reporter construct consisting of the UAS response element and the b-lactamase (bla) reporter gene. Upon activation of the receptor, g-protein receptor kinase (GRK) phosphorylates specific intracellular residues of OPKR1 and this induces recruitment of B-arrestin2-TEV protease fusion protein. The TEV protease recognizes and cleaves the TEV site, releasing the GAL4-VP16 fusion protein, which then translocates to the nucleus. The GAL4-V16 binds to the UAS element, driving expressing of the b-lactamase gene. B-lactamase expression is detected with the cell permeable, fluorescent substrate, CCF4-AM. This substrate consists of coumarin tethered to fluoroscein via a b-lactam ring. In the absence of b-lactamase, excitation of the dye with 405 nm light results in FRET from the coumarin to fluoroscein and emission of green (525 nm maximum) light. B-lactamase cleavage of the substrate separates the courmarin fluorophore from the fluorscein, and 405 nm excitation results in blue (460 nm maximum) emission. The assay is monitored by the blue/green emission ratio. The antagonist assay is performed by seeding the cells into 384 well plates and incubating them 16-24 hours at 37° C. Test antagonist compounds are added and incubated for 30 minutes at 37° C. Next an EC80 challenge of U-50488 (OKRK1 agonist) is added and the samples are incubated for 4 hours at 37° C., followed by addition of CCF4-AM substrate. The plates are then incubated 2 hours at room temperature in the dark and the blue/green ratio determined on a fluorescent plate reader. See J Biomol Screen April 2009, vol. 14 no. 4, pp 381-394.
74	1	hSortilin Affinity Assay	The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Varying concentration of compounds where pre-incubated for 30 min at RT with 150 nM of 6his-Sortilin. 5 nM [3H]-Neurotensin was added as radioligand and nonspecific binding defined as the binding in the presence 20 &#956;M of Neurotensin. Ni chelate imaging beads (Perkin Elmer) was added and the plate was slowly shaked in the dark for 60 min. The imaging beads were allowed minimum 6 hours settling time before the plate was read on a ViewLux with 360 sec exposure time. Dose-response evaluation of compounds was performed with 10 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK). The results were given as Ki values (nM) derived from computer fitted IC50 values converted to Ki values using the Cheng-Prusoff equation (Ki=IC50/(1+(L/Kd))). Kd for Neurotensin was determined to 100 nM.
75	1	Human Complement Factor B TR-FRET Assay	CVF-Bb complex prepared from purified cobra venom factor (1 uM), recombinant human complement factor B (expressed in drosophila cells and purified using standard methods) and human complement factor D (expressed in E. Coli, refolded and purified using standard methods). CVF-Bb complex at 3 nM concentration was incubated with test compound at various concentrations for 1 hour at room temperature in PBS pH 7.4 containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human complement C3 substrate purified from plasma was added to a final concentration of 1 uM. After 1 hour incubation at room temperature, the enzyme reaction was stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, was quantified by means of an enzyme-linked-immunosorbent assay. IC50 values were calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration.
76	1	CFTR-YFP Assay	This protocol is designed to selectively screen small molecule compounds for F508del CFTR corrector activities in the YFP (yellow fluorescent protein) flux assay. In this protocol, the cells are incubated with testing compounds for 24 hours, washed with PBS, stimulated with forskolin and a standard potentiator, and fluorescence in each plate well is measured kinetically read on a 384-well plate reader, such as the Hamamatsu FDSS-6000. YFP fluorescence intensity values are acquired at high speed before and after iodide buffer is injected to the assay cells. Iodide enters the cells via active CFTR channels in the plasma membrane, and quenches the YFP fluorescence. The rate of fluorescence quenching is proportionate to the total CFTR activity in the cell membrane. F508del CFTR correctors increase the number of CFTR molecules in the testing cell plasma membrane, and thereby accelerate YFP quenching.
77	1	FLAP Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode. Data are expressed as a HTRF ratio. For human FLAP binding assays, data are analyzed with 3DX Explorer software. A ratio is calculated with the relative light units at 520 nm over the relative light units at 495 nm. For analysis, data from multiple runs are averaged and each compound may be tested in 2 to 20 runs. Each run comprises two plates and each plate includes duplicates. Data from each plate is averaged and data are imported into 3DX. The data from multiple runs are aggregated as the average of duplicates of the calculated ratios in order to calculate Ki and 1050 values. Numbers in parentheses are the number of runs for the assay.
78	1	MGluR2 cAMP Assay	Clonally expressed human mGluR2 in HEK293 background was glutamate starved overnight in media without glutamine (GIBCO MEM 12360), containing 10% FBS, 1% penicillin streptomycin. Compounds were added to white, standard volume 384 non-binding surface plates (Corning 3574). Cells were resuspended in stimulation buffer consisting of Hanks Balanced Salt Solution (14175-095) pH 7.0, 20 mM HEPES, 2.0 mM CaCl2, 5.0 mM MgCl2, and 1 mM IBMX (Sigma 15879), 1 M forskolin, and 1 M LY-341495, for 30 minutes. Buffer without forskolin was used as a negative control. Solutions of D2 and cryptate detection reagents from the CISBIO dynamic cAMP kit (62AM4PEJ) were diluted 1:40 in lysis buffer. Lysis buffer consisted of 50 mM Phosphate Buffer pH 7.0, 800 mM Potassium Fluoride, 0.2% BSA, and 1.0% Triton. Assay reaction was terminated by addition of detection reagents in lysis buffer. One hour later, plates were read on a PE Viewlux.
79	1	 IL-2 ELISA Assay	Primary T cell stimulation and IL2 ELISA: Human primary T cells (100,000 cells per well) were pre-incubated with or without test compound in Yssel&#39;s medium for 1 hour at 37° C. Cells were then stimulated by transferring them to round-bottom 96-well plates pre-coated with 1 &#956;m/ml &#945;CD3 and 5 &#956;g/ml &#945;CD28. For counter assay, cells were instead stimulated by adding 8× stock solutions of PMA and ionomycin in Yssels (for final concentrations of 0.5 ng/ml PMA and 0.1 uM ionomycin, both from Calbiochem). Cells were incubated at 37° C. for 24 hours before 100 &#956;L supernatants were harvested for quantification of IL-2 by ELISA using Human IL-2 Duoset ELISA Kit from R and D Systems, Cat. # DY202E.
80	1	ALK1-6 enzymatic assays	Specifically, compounds were assayed using LANCE Ultra ULight technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2-6: Carna Biosciences). Briefly, ALK enzyme (10 nM) was prepared in kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 3 mM MgCl2, 0.005% Tween-20 and 2 mM DTT) and dispensed at 2.5 &#956;L/well into a 1536 well, white, solid bottom, microtiter plate (Greiner, 789175-F). Negative controls for the assay were generated by adding one column containing kinase buffer only. Compounds in DMSO solution were transferred to the assay plates at 23 nL/well via a NX-TR pin tool workstation (WAKO, San Diego, Calif.) and incubated with enzyme for 10 minutes at ambient temperature. ULight Topo IIa Substrate (50 nM) was prepared in kinase buffer containing either 10 &#956;M or 1000 &#956;M ATP and dispensed at 2.5 &#956;L/well into the assay plate. Following a 1 hour incubation at ambient temperature, Europium anti-phospho DNA Topoisomerase 2-alpha antibody (4 nM) was prepared in 1× LANCE detection buffer containing 12 mM EDTA and dispensed at 5 &#956;L/well into the assay plate. Plates were measured using the EnVision plate reader (Perkin Elmer), with excitation 320 nm and emissions of 615 nm and 665 nm.
81	1	PIM-1 Biochemical Assay	The biochemical assay to measure PIM-1 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of ADP as direct product of the kinase enzyme activity.
81	2	PIM-2 Biochemical Assay	The biochemical assay to measure PIM-2 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of ADP as direct product of the kinase enzyme activity.
81	3	PIM-3 Biochemical Assay	The biochemical assay to measure PIM-3 activity relies on the ADP Hunter assay kit (DiscoveRx Corp., Cat. #90-0077), that determines the amount of ADP as direct product of the kinase enzyme activity.
82	1	Cytoxicity  Assay of PC3 cell	PC3 cell lines were seeded in 100 &#956;L cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000 to 6,000 cells/well. Suspension cell cultures were initiated with 20,000 cells/well. The cells were incubated overnight at 37° C., and then the drug treatments were started by adding 50 &#956;L medium containing the corresponding drug dilution and DMSO. The final concentration of DMSO onto the cells was 0.5% v/v in all wells. The cells viability was determined using the CellTiter-Glo Luminescent Cell Viability Assay (Promega, Madison, Wis.). The CellTiter-Glo reagent was prepared according to the manufacturer&#39;s instructions, and then 50 &#956;L reagent was added to each well for 1 h at rt. The luminescence was measured on an Envision Multilabel Plate Reader (PerkinElmer, Waltham, Mass.). The IC50 values were calculated from the dose-response curve analysis with GraphPad Prism 6.01 (GraphPad Software, La Jolla, Calif.) using the nonlinear regression model 4 Parameter Logistic. Nine concentrations were generated by 1:2 serial dilutions for each IC50 assay. Each drug concentration was evaluated in triplicate or quadruplicate.
82	2	Cytoxicity  Assay of JeKo1 cell	JeKo1 cell lines were seeded in 100 &#956;L cell culture medium in 96-well plates. Depending on the cell proliferation rate, cells were seeded at 4,000 to 6,000 cells/well. Suspension cell cultures were initiated with 20,000 cells/well. The cells were incubated overnight at 37° C., and then the drug treatments were started by adding 50 &#956;L medium containing the corresponding drug dilution and DMSO. The final concentration of DMSO onto the cells was 0.5% v/v in all wells. The cells viability was determined using the CellTiter-Glo Luminescent Cell Viability Assay (Promega, Madison, Wis.). The CellTiter-Glo reagent was prepared according to the manufacturer&#39;s instructions, and then 50 &#956;L reagent was added to each well for 1 h at rt. The luminescence was measured on an Envision Multilabel Plate Reader (PerkinElmer, Waltham, Mass.). The IC50 values were calculated from the dose-response curve analysis with GraphPad Prism 6.01 (GraphPad Software, La Jolla, Calif.) using the nonlinear regression model 4 Parameter Logistic. Nine concentrations were generated by 1:2 serial dilutions for each IC50 assay. Each drug concentration was evaluated in triplicate or quadruplicate.
83	2	CDK2/CycE Kinase Assay	N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA affinity chromatography and subsequent size exclusion chromatography, was used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-VLLPKKSFAEPG (C-terminus in amid form) was used which can be purchased e.g. form the company Biosyntan (Berlin, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Bub1 in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1x Complete EDTA-free protease inhibitor mixture (Roche)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Bub1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 200 ng/ml. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-001] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, as an alternative a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]) in an aqueous EDTA-solution (50 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES pH 7.5). The resulting mixture was incubated 1 h at 22&deg; C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents.
83	1	Bub1 Kinase Assay	Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose affinity chromatography, were purchased from ProQinase GmbH (Freiburg, Germany). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI peptide technologies (Berlin, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and substrate (1.25 uM=>final conc. in the 5 ul assay volume is 0.75 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 130 ng/ml. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, as an alternative a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0). The resulting mixture was incubated 1 h at 22&deg C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents.
83	3	Mps-1 Kinase Assay	N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As substrate for the kinase reaction a biotinylated peptide of the amino-acid sequence biotin-Ahx-PWDPDDADITEILG (C-terminus in amide form, purchased from Biosyntan GmbH, Berlin) was used. For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA (w/v), 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of 16.7 uM adenosine-tri-phosphate (ATP, 16.7 uM=>final conc. in the 5 ul assay volume is 10 uM) and peptide substrate (1.67 uM=>final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22&deg; C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 0.5 nM (final conc. in the 5 ul assay volume). The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-Jugesheim, Germany]. Instead of the 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody a mixture of 2 nM unlabeled anti-phospho ser/thr-pro antibody MPM-2 [Millipore cat. #05-368] and 1 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077] can be used). The resulting mixture was incubated 1 h at 22&deg; C. to allow the binding of the phosphorylated peptide to the anti-phospho(Ser/Thr)-Europium-antibody.
84	1	[3H]-NMS Binding Assay	Assays were carried out at 25&deg; C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the human muscarinic receptors Hm3 were used. For determination of IC, membrane preparations were suspended in DPBS to a final concentration of 89 &mu;g/ml for the Hm3 subtype. The membrane suspension was incubated with the tritiated compound for 60 min. After incubation the membrane fraction was separated by filtration and the bound radioactivity determined. Non specific binding was determined by addition of 10^&#8722;4 M atropine. At least six concentrations were assayed in duplicate to generate individual displacement curves.
85	1	Thrombin Activity Assay	Human thrombin was obtained from Haematologic Technologies Inc. The chromogenic substrate S-2238 was obtained from DiaPharma. Thrombin was assayed in buffer containing 0.05 M Tris (pH 7.4), 0.015 M NaCl and 0.01% PEG-8000. The final concentration of enzyme used was 3 nM thrombin. The final concentration of substrate used was 125 &mu;M S-2238 for thrombin. All assays were performed in 96-well microtiter plates at room temperature (RT). The enzyme and inhibitor were pre-incubated for 10 minutes then substrate was added and read at 405 nm in a SpectraMax Plus Spectrophotometer (Molecular Devices). Inhibitor IC50 values were determined by adding test compound as ten point, three-fold serial dilutions in buffer solution, as known in the art. The plate was read at 10 minutes after substrate addition.
85	2	KLK1 Activity Assay	Recombinant human tissue kallikrein (KLK1) was obtained from R&D Systems. Pro-Phe-Arg-AMC (I-1295) substrate was obtained from Bachem. KLK1 enzyme is activated by incubating 0.5 mg/ml KLK1 combined with 0.1 &mu;g/ml thermolysin in a buffer of 0.05 M Tres (pH 7.5), 0.15 M NaCl, and 0.01 M CaCl2 for one hour at 37&deg; C. The thermolysin is then deactivated by the addition of equal parts 20 mM 1, 10 phenanthroline solution in water. The activated KLK1 solution is then added to CHES buffer (0.05 M CHES, 0.15 M NaCl, 0.01 M CaCl2, pH 10) for a final concentration of 5 nM along with the test article and incubated for 10 minutes. Substrate is then added at a concentration of 2.75 &mu;M. Substrate activation is read 10 minutes after substrate addition using a Synergy H1 multifunction plate reader (Biotek) programmed with a 360 nm excitation wavelength and a 480 nm emission wavelength. Inhibitor response was established by adding test compound as ten point, three-fold serial dilutions, as known in the art.
85	3	KLKB1 Activity Assay	Human KLKB1 protein was obtained from Enzyme Research Labs. The chromogenic substrate S-2302 was obtained from DiaPharma. KLKB1 was assayed in buffer containing 0.05 M Tris (pH 7.4), 0.01 M NaCl and 0.2% w/v PEG-8000. The final concentration of enzyme used was 3 nM KLKB1. The final concentration of substrate used was 250 &mu;M S-2302 for KLKB1. All assays were performed in 96-well microtiter plates at room temperature (RT). The enzyme and inhibitor were pre-incubated for 10 minutes then substrate was added and read at 405 nm in a SpectraMax Plus Spectrophotometer (Molecular Devices). Inhibitor IC50 values were determined by adding test compound as ten point, three-fold serial dilutions in buffer solution, as known in the art. The plate was read at 10 minutes after substrate addition.
86	1	Fluorescent Polarization Assay	The inhibitor potency of BA-1049 (racemic mixture) and Fasudil (Calbiochem) were compared by fluorescent polarization assays performed using a Biomek 2000 robotic workstation (Beckman Instruments, Palo Alto, Calif.) in a 96-well plate format. The assay was performed utilizing the IMAP&reg; ROCK I and ROCK II kits (Molecular Devices Corp.) as follows. Substrate (synthetic peptide capable of being phosphorylated by ROCK I or ROCK II: KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK) (SEQ ID NO:1) and ATP concentrations used were 200 nM and 10 &mu;M, respectively, while the enzyme (ROCK I, ROCK II recombinantly-produced kinase domain) concentration was 3.96×10^&#8722;3 units per well. The substrate, enzyme, and ATP dilutions were made with reaction buffer provided by the vendor. The test compound was diluted in 1-:10 DMSO-ethanol (vol/vol). The various components were added into black, clear bottom 96-well plates in a final volume of 20 &#956;L per well. After the enzyme reaction (60 min at 23&deg; C.), 60 &mu;L of the binding solution (IMA kits provided by vendor) was added per well and incubated an additional 30 min in the dark at 23&deg; C. Fluorescent polarization of the reaction mixtures was then measured on the Analyst&reg; HT instrument (Molecular Devices Corp.).
87	1	BACE1 HTRF FRET Assay	This assay monitored the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contained an N-terminal QSY7 moiety that served as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence was low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors was manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul were preincubated with purified human BACE1 catalytic domain (3 nM in 10 Ml) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions were initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions were incubated at 30° C. for 1.5 hours. The 620 nm fluorescence was then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 &#956;s delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values were derived from non-linear regression analysis of concentration response curves. Ki values were then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE1.
88	2	High-Throughput Cav2.2/Kir2.3 T-Type Fluorescent Assay	Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in the FLIPR assay. 100 &#956;L of cells (1.4×106 cell/mL) containing doxycyline (Sigma-Aldrich, 1.5 &#956;g/mL; to induce channel expression) were added to each well using a Multidrop (Thermo Scientific, Waltham, Mass.) and were maintained in 5% CO2 incubator at 37° C. On the morning of the assay, cells were transferred to a 5% CO2 incubator at 29° C. Cells can then be washed with a wash buffer containing (in mM): 118 NaCl, 18.4 HEPES, 11.7 D-glucose, 2 CaCl2, 0.5 MgSO4, 4.7 KCl, 1.2 KH2PO4, pH adjusted to 7.2 with NaOH. 4.4 &#956;M of the fluorescent indicator dye, Fluo-4 (Invitrogen), prepared in pluronic acid (Sigma-Aldrich), were loaded into the wells and incubated for 45 minutes at 29° C. in 5% CO2. Cells were then rinsed with either a 2 mM KCl closed-state buffer (in mM: 138.5 NaCl, 10 HEPES, 10 D-glucose, 1 CaCl2, and 2 KCl, with the pH adjusted to 7.4 with NaOH) when performing the closed-state assay or 12.5 mM KCl inactivated-state buffer (in mM: 128 NaCl, 10 HEPES, 10 D-glucose, 1 CaCl2, and 12.5 mM KCl, with the pH adjusted to 7.4 with NaOH) when performing the inactivated-state assay. Concentration-dependent response curves were generated from 5 mM stock solutions prepared in DMSO (Sigma-Aldrich) and diluted in either the 2 mM KCl buffer or 12.5 mM KCl buffer and incubated for 20 minutes at 29° C. in 5% CO2. Calcium entry was evoked with an addition of 130 mM KCl stimulation buffer (in mM: 10.5 NaCl, 10 HEPES, 10 D-glucose, 1 CaCl2, and 130 KCl, with the pH adjusted to 7.4 with NaOH) for both the closed-state or inactivated-state assay. A change in the Fluo-4 fluorescence signal was assessed using FLIPRTETRA&#153; instrument (Molecular Devices, Sunnyvale, Calif.) for 3 minutes following the elevation of extracellular KCl using an illumination wavelength of 470-495 nm with emissions recorded at 515-575 nm.
88	3	High-Throughput Cav3.1 T-Type Fluorescent Assay	Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in the FLIPR assay. 100 &#956;L of cells (2.0×106 cell/mL) containing doxycyline (Sigma-Aldrich, 1.5 &#956;g/mL; to induce channel expression) were added to each well using a Multidrop (Thermo Scientific, Waltham, Mass.) and were maintained in 5% CO2 incubator at 37° C. On the morning of the assay, cells were transferred to a 5% CO2 incubator at 29° C. Cells were washed with a wash buffer containing (in mM): 118 NaCl, 18.4 HEPES, 11.7 D-glucose, 0.05 CaCl2, 0.5 MgSO4, 1 KCl, and 1.2 KH2PO4, with the pH adjusted to 7.2 with NaOH. 4.4 &#956;M of the fluorescent indicator dye, Fluo-4 (Invitrogen), prepared in pluronic acid (Sigma-Aldrich), were loaded into the wells and incubated for 45 minutes at 29° C. in 5% CO2. Cells were then rinsed with the following low Ca2+ buffer (in mM): 0.34 Na2HPO4, 4.2 NaHCO3, 0.44 KH2PO4, 0.41 MgSO4, 0.49 MgCl2-6H2O, 20 HEPES, 5.5 D-Glucose, 137 NaCl, 5.3 KCl, and 0.001 CaCl2, with 0.1% BSA and the pH adjusted to 7.2 with NaOH. Concentration-dependent response curves were generated from 5 mM stock solutions prepared in DMSO (Sigma-Aldrich) and diluted in the buffer containing low Ca2+ and incubated for 20 minutes at 29° C. in 5% CO2 Calcium entry was evoked with an addition of (in mM): 0.34 Na2HPO4, 4.2 NaHCO3, 0.44 KH2PO4, 0.41 MgSO4, 0.49 MgCl2-6H2O, 20 HEPES, 5.5 D-Glucose, 137 NaCl, 5.3 KCl, and 6 CaCl2, with 0.1% BSA and the pH adjusted to 7.2 with NaOH. A change in the Fluo-4 fluorescence signal was assessed using FLIPRTETRA instrument (Molecular Devices, Sunnyvale, Calif.) for 3 minutes following the elevation of extracellular KCl using an illumination wavelength of 470-495 nm with emissions recorded at 515-575 nm.
88	1	Nav1.5 Assay	To assess the potential cardiac liability of compounds at an early stage in the drug discovery process, a Nav1.5 sodium channel screening assay was be performed on Molecular Device&#39;s PatchXpress&#153; automated electrophysiology platform. Under voltage-clamp conditions, Nav1.5 currents were recorded from HEK cells expressing the human Nav1.5 channel in the absence and presence of increasing concentrations of the test compound to obtain an IC50 value. The external recording solution contained (in mM): 90 TEACl, 50 NaCl, 1.8 CaCl, 1 MgCl2, 10 HEPES, 10 glucose, adjusted to pH 7.4 with TEA-OH and to 300 mOsm with sucrose (if necessary), while the internal patch pipette solution contained (in mM): 129 CsF, 2 MgCl2, 11 EGTA, 10 HEPES, 3 Na2ATP adjusted to pH 7.2 with CsOH and to 290 mOsm with sucrose (if necessary). Nav1.5 channel currents were evoked using a cardiac action potential waveform at 1 Hz, digitized at 31.25 kHz and low-pass filtered at 12 kHz.
90	1	Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min., the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to control reactions with no enzyme (for 100% inhibition) and controls with no inhibitor (for 0% inhibition). Dose response curves were generated to determine the concentration required for inhibiting 50% of Btk activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
91	1	Radioligand Competition Binding Assay	Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration of radioligand and increasing concentrations of test compound for evaluation of binding to KOR or single concentration (10 &#956;M) of test compound for evaluation of binding to MOR in 101 &#956;L final volume. Reaction in 50 mM Tris-HCl (pH 7.5), 5 mM MgCl2, 0.05% BSA at room temperature for 1 h with shaking. Following incubations, the membranes were rapidly filtered through GF/B filter plate (presoaked with 0.5% polyethyleneimine), washed five times with cold 50 mM Tris-HCl, pH 7.5, and the bound radioactivity was then measured by liquid scintillation counting. Non-specific binding was measured in the presence of excess ligand; this value was subtracted from the total binding to yield the specific binding at each test concentration.
91	2	Radioligand Competition Binding Assay	Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration of radioligand and increasing concentrations of test compound for evaluation of binding to KOR or single concentration (10 &#956;M) of test compound for evaluation of binding to MOR in 101 &#956;L final volume. Reaction in 50 mM Tris-HCl (pH 7.5), 5 mM MgCl2 at room temperature for 1 h with shaking. Following incubations, the membranes were rapidly filtered through GF/B filter plate (presoaked with 0.5% polyethyleneimine), washed five times with cold 50 mM Tris-HCl, pH 7.5, and the bound radioactivity was then measured by liquid scintillation counting. Non-specific binding was measured in the presence of excess ligand; this value was subtracted from the total binding to yield the specific binding at each test concentration.
91	3	cAMP Accumulation Assay	Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expressing KOR were harvested using Invitrogen Cell Dissociation Buffer, and then centrifuged at 1200 rpm for five minutes. The supernatant was aspirated and cells were resuspended in assay buffer to a density of 4×10^5 cells/mL. 25 &#956;L of cells were added into a white half-area 96 well plate. Fourteen point serial dilutions of test compounds were carried out in assay buffer (PBS with 0.5 mM IBMX). Ketazocine was used as a positive control for each assay. 12.5 &#956;L of compound was added to the cells in duplicate for each test concentration. The cells were then stimulated with 12.5 &#956;L forskolin at a final concentration 20 &#956;M. Cells were incubated for 45 minutes in a 37° C., 5% CO2 water jacketed incubator. CisBio HTRF cAMP assay reagent was used for cAMP quantitation. Two hours after substrate addition, signal at 665/615 nm was measured using the Perkin Elmer Victor X4 HTRF reader.
92	1	Calcium Flux Assay	Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum, 1×L-Glutamine, 1× Penicillin/Streptomycin and 500 &#956;g/mL G418. Rat GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum and 1 &#956;g/mL puromycin. Cells were plated into poly-D-lysine coated 384-well plates and cultured overnight in a 37° C. humidified tissue culture incubator under 5% CO2/90% O2 atmosphere. On the day of the experiment, the culture media was replaced with assay buffer (HBSS, 20 mM HEPES, 0.1% BSA) and the cells incubated at 37° C. for 1 h. Calcium-sensitive fluorescent dye (Fluo 8 No-Wash Calcium Dye, ABD Bioquest) was then added and the cells incubated for another 30 min at 37° C. followed by 15 min at room temperature while protected from the light. The cell plate and a plate of diluted compounds of Formula (I) were loaded into a fluorescent plate reader that added compounds onto the cells while measuring the fluorescence intensity of each well. The plate reader recorded fluorescence intensity at 1 second intervals for 8 min and provided the data for analysis in an Excel format.
93	1	P2X3 Inhibition Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683)) was used. The cells were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (pH7.5) containing 20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 40 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 3 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement.
94	1	 Radioligand Binding Assay	In this assay, COS-7 cells are transiently transfected with the hFP recombinant plasmid using LipofectAMINE Reagent. Forty-eight hours later, the transfected cells are washed with Hank&#39;s Balanced Salt Solution (HBSS, without CaCl2, MgCl2, MgSO4, or phenol red). The cells are detached with versene, and HBSS is added. The mixture is centrifuged at 200 g for 10 minutes, at 4° C. to pellet the cells. The pellet is resuspended in Phosphate-Buffered Saline-EDTA buffer (PBS; 1 mM EDTA; pH 7.4; 4° C.). The cells are disrupted by nitrogen cavitation (Parr model 4639), at 800 psi, for 15 minutes at 4° C. The mixture is centrifuged at 1000 g for 10 minutes at 4° C. The supernatant is centrifuged at 100,000 g for 60 minutes at 4° C. The pellet is resuspended to 1 mg protein/mL TME buffer (50 mM Tris; 10 mM MgCl2; 0.1 mM EDTA; pH 6.0; 4° C.) based on protein levels measured using the Pierce BCA Protein Assay kit. The homogenate is mixed for 10 seconds using a Kinematica POLYTRON (available from KINEMATICA AG, Luzernerstrasse147A CH-6014 Littau, Switzerland). The membrane preparations are then stored at &#8722;80° C., until thawed for assay use. The receptor competition binding assays are developed in a 96 well format. Each well contains 100 g of hFP membrane, 5 nM (3 H) PGF2&#945;, and the various competing compounds in a total volume of 200 L. The plates are incubated at 23° C. for 1 hour. The incubation is terminated by rapid filtration using the Packard Filtermate 196 harvester through Packard UNIFILTER GF/B filters (available from Packard Instrument Co., Inc. of Downers Grove Ill.) pre-wetted with TME buffer. The filter is washed four times with TME buffer. Packard Microscint 20, a high efficiency liquid scintillation cocktail, is added to the filter plate wells and the plates remain at room temperature for three hours prior to counting. The plates are read on a Packard TOPCOUNT Microplate Scintillation Counter (also available from Packard Instrument Co., Inc.)
95	1	IDO Kynurenine Assay	Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clear bottom tissue culture plate (Matrix Technologies LLC) 125 nL of certain concentration of compound was then added to each well using ECHO liquid handling systems. The cells were incubated for 20 hours in 37° C. incubator with 5% CO2. The compound treatments were stopped by adding Trichloroacetic Acid (Sigma-Aldrich) to a final concentration at 0.2%. The cell plate was further incubated at 50° C. for 30 minute. The equal volume supernatant (20 uL) and 0.2% (w/v) Ehrlich reagent (4-dimethylaminobenzaldehyde, Sigma-Aldrich) in glacial acetic acid were mixed in a new clear bottom 384-well plate. This plate was then incubated at room temperature for 30 minute. The absorbance at 490 nm was measured on Envision plate reader.
96	1	Voltage-Clamp Assay	All experiments were conducted at room temperature (22-24° C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the whole-cell mode of the patch-clamp technique. Human embryonic kidney (HEK)-293 cell lines stably expressing hNav1.1, hNav1.5, hNav1.7 channels (generously provided by Dr. Christopher Lossin, University of California Davis), hNav1.4 (Frank Lehmann-Horn, University of Ulm), or hKv2.1 channels (James Trimmer, University of California Davis) were bathed in extracellular solution containing (in mM): 160 NaCl; 4.5 KCl; 1 MgCl2; 2 CaCl2; 10 HEPES [pH was adjusted to 7.4 using NaOH (310 mOsm)]. Pipettes were filled with intracellular solution containing (in mM): 145 KF; 2 MgCl2; 10 ethylene glycol tetraacetic acid; 10 HEPES (pH adjusted to 7.2 with KOH; 300 mOsm). Neuroblastoma N1E-115 cells (ATCC, Manassa, Va., USA) expressing Nav1.2 were patched with a CsF internal solution consisting of (in mM): 10 NaF; 110 CsF; 20 CsCl; 2 ethylene glycol tetraacetic acid; 10 HEPES (CsOH to pH 7.35; 300 mOsm). All pipette tip resistances were 2-4 M&#937;. Series resistances of 3-10 M&#937; were compensated 40-80%. All cells were voltage-clamped to a holding potential of &#8722;90 mV unless otherwise specified. The sampling frequency was 5 kHz. Na+ currents were elicited by 30-ms pulse to 0 mV from &#8722;90 mV applied every 10 s. Kv2.1 currents were elicited by 200-ms voltage steps from &#8722;90 to 40 mV applied every 10 s. HEK-293 or COS-7 cells stably expressing hKCa2.1, rKCa2.2, and hKCa2.3 have been described previously (Sankaranarayanan et al., 2009). Cells were held at &#8722;80 mV and KCa currents elicited by dialysis with a K+ aspartate based internal containing 250 nM free Ca2+ (pH 7.2, 290 mOsm, pipette resistance 1.5 M&#937;). To reduce currents from native chloride channels, Na+ aspartate Ringer was used as an external solution. KCa2 currents were recorded with 200-ms voltage ramps from &#8722;120 to +40 mV applied every 10 s, and the fold increase of slope conductance at &#8722;80 mV by drug was taken as a measure of channel activation. Data analysis, fitting, and plotting were performed with IGOR-Pro (Wavemetrics, Lake Oswego, Oreg., USA) and Origin 9.0 (OriginLab, Northampton, Mass., USA).
97	1	ET-1 Assay	Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After media exchange, compounds serially diluted in DMSO are added to the cells. After a brief incubation of ~30 min, stimulants (TGFb, serum, LPA etc) are added followed by further incubation for 16-48 hours. Media is then harvested and stored frozen in plate format for later endothelin-1 (ET-1) determination by ELISA. Toxicity measurements are made using the ATPlite kit (Perkin-Elmer). ET-1 is quantified using an ELISA kit (R&D Systems). The amount of ET-1 produced in the assay wells are back-calculated using the ELISA standard. The ability of a compound to inhibit ET-1 production is typically analyzed by fitting dose-response curves to a 4-parameter logistic function to obtain an EC50 value.
98	1	LanthaScreen Kinase Activity Assay	In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 &#956;M) for 30 minutes before the kinase reaction is initiated by addition of 1.3 mM ATP and 0.4 &#956;M fluorescein-LRRKtide. The reaction mixture (20 &#956;l total volume) is incubated for 2 hours at 30° C. before the reaction is terminated by addition of 10 mM EDTA and 1 nM terbium-labelled anti-phospho-LRRKtide antibody (final volume 20 &#956;l). The mixture is further incubated for 30 minutes at RT. TR-FRET is measured by excitation of the terbium-donor with 340 nm light and subsequent (delay time 100 &#956;s) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a time window of 1000 &#956;s. The measurement is repeated 10 times for fluorescein and 10 times for terbium emission with a 2000 &#956;s time window between repeats. TR-FRET measurements are performed on a Biomek Synergy plate. The TR-FRET signal is calculated as the emission-ratio at 520 nm over 495 nm.
99	1	Enzymatic Assay	The MAO enzymatic assay was performed according to the fluorometric method described by Matsumoto and colleagues (Matsumoto et al., Clin. Biochem. 1985, 18, 126-129) with the following modifications. Human recombinant MAO-A and MAO-B expressed in insect cells were used. For both assays, test compound and/or vehicle were preincubated with purified enzyme in phosphate buffer pH 7.4 for 15 minutes at 37° C. The reaction was initiated by addition of 50 &#956;m kynuramine. Following a 60 minute incubation period, the reaction was terminated by the addition of 6 N NaOH. The amount of 4-hydroxyquinoline that formed was determined by spectrofluorimetrically at 325 nm/465 nm.
100	1	TAFI Activity Assay	The prepared substances were tested for TAFIa inhibition using the Actichrome plasma TAFI Activity Kit from American Diagnostica (Pr. No. 874). This entailed adding 28 &#956;l of assay buffer (20 mM Hepes, 150 mM NaCl, pH 7.4) and 10 &#956;l of TAFIa (American Diagnostica Pr. No. 874TAFIA; 2.5 &#956;g/ml) to 2 &#956;l of 2.5 mM DMSO solution of the substance and incubating in a 96 half-well microtiter plate at room temperature for 15 minutes. The enzyme reaction was started by adding 10 &#956;l of TAFIa developer (prediluted 1:2 with assay buffer). The time course of the reaction was followed at 420 nm in a microtiter plate reader (SpectraMax plus 384; Molecular Devices) for 15 minutes.
101	1	JAK1 Kinase Assay	Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of UniProtKB/Swiss-Prot database). The JAK1 kinase assay was run with a final pre activated enzyme concentration of 2.5 nM, in the presence of 100 &#956;M ATP, 2 nM 33P-&#947;-ATP and 154 &#956;M of substrate BioDBn*333 (Aminoacid sequence: KKHTDDGYMPMSPGVA&#151;SEQ ID NO: 2). The peptidic substrate was purchased from American Peptide Company (Sunnyvale, Calif.).
101	2	JAK2 Kinase Assay	Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphorylation. The JAK2 kinase assay was run with a final enzyme concentration of 1 nM, in the presence of 60 &#956;M ATP, 3 nM 33P-&#947;-ATP and 64 &#956;M of substrate BioDBn*306 (Aminoacid sequence: LPLDKDYYVVREPGQ&#151;SEQ ID NO: 1). The peptidic substrate was purchased from American Peptide Company (Sunnyvale, Calif.).
101	4	TYK2 Kinase Assay	Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of UniProtKB/Swiss-Prot database) that showed a linear kinetic without prephosphorylation. The TYK2 kinase assay was run with a final enzyme concentration of 3 nM, in the presence of 31 &#956;M ATP, 0.8 nM 33P-&#947;-ATP and 71 &#956;M of substrate BioDBn* 333 (Aminoacid sequence: KKHTDDGYMPMSPGVA&#151;SEQ ID NO: 2). The peptidic substrate was purchased from American Peptide Company (Sunnyvale, Calif.).
102	1	FAAH Assay 1	T84 frozen cell pellets or transfected SK-N-MC cells (contents of 1×15 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol, 0.02% Triton X-100, 0.4 mM Hepes, pH 9). The assay mixture consisted of 50 &#956;L of the cell homogenate, 10 &#956;L of the test compound, and 40 &#956;L of anandamide [1-3H-ethanolamine] (3H-AEA, Perkin-Elmer, 10.3 Ci/mmol), which was added last, for a final tracer concentration of 80 nM. The reaction mixture was incubated at rt for 1 h. During the incubation, 96-well Multiscreen filter plates (catalog number MAFCNOB50; Millipore, Bedford, Mass., USA) were loaded with 25 &#956;L of activated charcoal (Multiscreen column loader, catalog number MACL09625, Millipore) and washed once with 100 &#956;L of MeOH. Also during the incubation, 96-well DYNEX MicroLite plates (catalog number NL510410) were loaded with 100 &#956;L of MicroScint40 (catalog number 6013641, Packard Bioscience, Meriden, Conn., USA). After the 1 h incubation, 60 &#956;L of the reaction mixture were transferred to the charcoal plates, which were then assembled on top of the DYNEX plates using Centrifuge Alignment Frames (catalog number MACF09604, Millipore). The unbound labeled ethanolamine was centrifuged through to the bottom plate (5 min at 2000 rpm), which was preloaded with the scintillant, as described above. The plates were sealed and left at rt for 1 h before counting on a Hewlett Packard TopCount.
102	2	FAAH Assay 2	Transfected SK-N-MC cells (contents of 1×15 cm culture dishes) were homogenized in 50 mL of FAAH assay buffer (125 mM Tris, 1 mM EDTA, 0.2% Glycerol, 0.02% Triton X-100, 0.4 mM Hepes, pH 9). The assay mixture consisted of 50 &#956;L of the cell homogenate, 10 &#956;L of the test compound, and 40 &#956;L of anandamide [1-3H-ethanolamine] (3H-AEA, Perkin-Elmer, 10.3 Ci/mmol), which was added last, for a final tracer concentration of 80 nM. The reaction mixture was incubated at rt for 1 h. During the incubation, 96-well Multiscreen filter plates (catalog number MAFCNOB50; Millipore, Bedford, Mass., USA) were loaded with 25 &#956;g of activated charcoal (Multiscreen column loader, catalog number MACL09625, Millipore) and washed once with 100 &#956;L of MeOH. Also during the incubation, 96-well DYNEX MicroLite plates (catalog number NL510410) were loaded with 100 &#956;L of MicroScint40 (catalog number 6013641, Packard Bioscience, Meriden, Conn., USA). After the 1 h incubation, 60 &#956;L of the reaction mixture were transferred to the charcoal plates, which were then assembled on top of the DYNEX plates using Centrifuge Alignment Frames (catalog number MACF09604, Millipore). The unbound labeled ethanolamine was centrifuged through to the bottom plate (5 min at 2000 rpm), which was preloaded with the scintillant, as described above. The plates were sealed and left at rt for 1 h before counting on a Hewlett Packard TopCount.
102	3	Drug-Drug Interaction (DDI) Assay	The assay was set up and executed using a Biomek FXp robotic liquid handling workstation (Beckman Coulter Corp., Fullerton, Calif.), integrated with a Cytomat shaking incubator set at 37° C. (Thermo Electron Corp., Bellefonte, Pa.). A batch of human liver microsomes from 50 donors, pooled and characterized by BD Gentest, (Cat #457111, lot 01220, 20 mg/mL in 250 mM sucrose) was used. Each substrate was incubated at a protein concentration of 0.1, 0.15 or 0.2 mg/mL in a total incubation volume of 0.16 mL. The incubates were prepared in 100 mM potassium phosphate buffer (pH 7.4) supplemented with 5 mM magnesium chloride and 1 mM EDTA. Quinidine was used as a positive control inhibitor for CYP2D6. Quinidine was prepared as a working solution in organic solvent (primarily methanol, with DMSO and acetonitrile as secondary solvents) and was spiked into the microsomal suspension to yield the desired concentration level. The solution was then serially diluted with additional microsomal suspension to yield eight concentration levels. Final organic content was less than 0.07%. A stock solution of the test compound was prepared at a concentration of 50 mM or higher, if possible, in an adequate organic solvent (DMSO, methanol or acetonitrile), depending on solubility limitations. The stock solution was serially diluted with methanol and subsequently spiked into the microsomal suspension to yield final incubation concentrations of 0, 0.1, 0.3, 1, 3, 10, 30 and 100 &#956;M for Comparator Compound and 0, 0.06, 0.18, 0.6, 1.8, 6, 18 and 60 &#956;M for 4-(2,2-difluoro-benzo[1,3]dioxol-5-ylmethyl)-piperazine-1-carboxylic acid (4-chloro-pyridin-3-yl)-amide. The final organic content was 0.2%. Incubations were performed in triplicate for each probe substrate. The control inhibitor (quinidine) and marker substrate (dextromethorphan or bufuralol) were transferred to the incubation vessels (60 &#956;L aliquots each). After a pre-incubation period at 37° C., the reactions were initiated by the addition of a 40 &#956;L aliquot of NADPH regenerating system (BD Gentest). A 40 &#956;L aliquot (diluted 6:19 with incubation buffer) provided final concentrations of 1.3 mM NADP+, 3.3 mM glucose-6-phosphate and 0.4 U/mL glucose-6-phosphate dehydrogenase. Incubation times were 12 minutes for both dextromethorphan and bufuralol. Reactions were terminated by the direct addition of acetonitrile (160 &#956;L) to the incubation mix followed by transfer to a pooling plate containing additional acetonitrile (400 &#956;L). The incubation reactions were pooled by equal test compound or control inhibitor concentration, transferred to a Phenomenex Strata Impact protein precipitation filter plate containing acetonitrile and internal standards (100 &#956;L of a mixture of the following deuterated compounds ranging in concentration from 0.5 to 2.8 &#956;M: hydroxybufuralol-d9, dextrorphan-d3). The resulting filtrate was evaporated to dryness under a nitrogen flow, then reconstituted in 250 &#956;L mobile phase (1:1 methanol:water, containing 0.1% acetic acid). Samples and standards were analyzed on a Sciex API4000 triple quadrupole mass spectrometer. The data were acquired in Analyst 1.4.1 (Applied Biosystems/MDS Sciex). 
103	1	Scintillation Proximity Assay	SphK activity was measured by a scintillation proximity assay as previously described [1], the disclosure of which is incorporated herein. Briefly, recombinant SphK1 or SphK2 were expressed in Sf9 insect cells, crude homogenates were prepared and incubated in 96 well FlashPlates (Perkin-Elmer) in a buffer containing D-erythro-sphingosine and &#947;-[33P]ATP. The [33P]S1P product, which adheres to the plate wall, was quantified by scintillation counting. To assay ceramide kinase or diacylglycerol kinases, the recombinant proteins were incubated with &#947;-[32P]ATP and substrate (C6 ceramide or 1-Ohexadecyl-2-acetyl-sn-glycerol, respectively) and the lipid product, after recovery by organic extraction, was resolved by thin layer chromatography, detected by autoradiography, and quantified by liquid scintillation counting. These assays were performed with and without a fixed concentration of inhibitor and its effect on KM and Vmax determined.
103	2	Broken Cell Assay	SLR080811, prepared as the HCl salt, was tested first at recombinant SphK1 and SphK2 using a broken cell assay.
104	1	mGluR5 FLIPR Assay	HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a monolayer culture at 37° C. in 5% CO2 and fed with Minimum Essential Medium (MEM) supplemented with 10% dialysed fetal bovine serum. 24 hours prior to assay, cells are enzymatically dissociated from the culture flask (Trypsin, 0.25%), spun down (1000 rpm, 3 min), resuspended, and plated on Greiner black clear bottomed PDL-coated 384-well plates at a density of 30 thousand cells/well. On the day of the experiment, media is removed from the cell plates and replaced with Molecular Devices Calcium 4 microfluorometric Ca++ sensitive dye in assay buffer (HBSS; Gibco #14025+20 mM HEPES and 250 uM probenacid). Plates are incubated in dye at 37° C. in 5% CO2 for 60 minutes prior to delivery of test compounds in assay buffer. Test compounds are incubated with cells in the presence of dye for 10 minutes prior to being read on the FLIPR platform (Molecular Devices). A Ca++ signal is induced in the assay plates via the delivery of an EC10 concentration of the endogenous agonist 1-glutamate; images are acquired at 1 Hz for 100 seconds post-delivery of agonist stimulus. Positive modulator activity (i.e. the ability of test compounds to increase the Ca++ response to a sub-maximal concentration of agonist) is normalized to a saturating concentration of a known mGluR5 PAM run in each assay plate.
105	1	Fluorescence Biochemical Assay	The IDH1 (R132H) mutant catalyzes the reduced form of NADP+(NADPH) and &#945;-ketoglutarate (&#945;-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R (&#8722;)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 &#956;L and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 &#956;M NADPH and 100 &#956;M &#945;-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 &#956;M. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM.
106	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant BTK (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2(1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000).
107	1	Binding Assay	The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incubation buffer was: 50 mM Tris, 10 mM MgCl2, 0.1% BSA, pH 7.4. In the assay mixture (200 &#956;l), membranes (26 g protein in incubation buffer) from CHO-K1 cells with stably expressed human V1b receptors (cell line hV1b_3H2_CHO) were incubated with 1.5 nM3H-AVP (8-Arg-vasopressin, PerkinElmer, NET 800) in incubation buffer (50 mM Tris, 10 mM MgCl2, 0.1% BSA, pH 7.4) (total binding) or additionally with increasing concentrations of test substance (displacement experiment). The nonspecific binding was determined with 1 &#956;M AVP (Fluka 94836). All determinations were carried out as duplicate determinations. After incubation (60 minutes at room temperature), the free radioligand was filtered off by vacuum filtration (Tomtec Mach III) through Wathman GF/B glass fiber filter plates (UniFilter, PerkinElmer 6005177). The liquid scintillation measurement took place in a Microbeta TriLux 12 (Wallac).
108	2	Kit Wild Type Assay	In each well of a 384-well plate, 0.2 ng/ul final (2 nM) of wild type Kit (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM Srctide (5-FAM-GEEPLYWSFPAKKK-NH2) and 400 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35s).
108	1	Kit D816V Assay	In each well of a 384-well plate, 0.04 ng/ul (0.5 nM) of D816V Kit (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM Srctide (5-FAM-GEEPLYWSFPAKKK-NH2) and 15 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35s).
108	3	Autophosphorylation Assay	10,000 HMC1.2 cells were incubated in 22 ul culture media (phenol-red free IMDM, no serum) in each well of a 384-well plate and serum starved overnight in a tissue culture incubator (5% CO2, 37° C.). A 10-point dose concentration series of compound (25 uM-95.4 pM) were then added to the cells in a volume of 3.1 ul to each well (0.25% DMSO final concentration). After 90 minutes, 6 ul of 5× AlphaLISA Lysis Buffer (Perkin Elmer) supplemented with a protease and phosphatase inhibitor cocktail (Cell Signaling Technologies) was added to each well and shaken at 450 rpm for 15 minutes at 4° C. 10 ul of phospho-Y719 c-Kit and total c-Kit antibodies (15 nM final concentration, Cell Signaling Technologies) and 50 ug/ml AlphaLISA rabbit acceptor beads (Perkin Elmer) were added to each well and shaken at 300 rpm at room temperature for 2 hours. 10 ul of 100 ug/ml streptavidin donor beads (Perkin Elmer) were added to each well, blocked from light with aluminum adhesive and shaken at 300 rpm at room temperature for 2 hours. Fluorescence signal was obtained on Envision (Perkin Elmer) by AlphaScreen 384 well HTS protocol.
109	1	cAMP HRTF Assay	The test compound or water (control) is mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM MgCl2, 2.64 mM DTT and 0.044% Tween 20 (pH 7.8). After adding the cAMP enzyme substrate (final concentration 40 nM) the mixture is incubated for 30 minutes at room temperature. Then a fluorescence acceptor (Dye2 marked with cAMP), a fluorescence donor (anti-cAMP antibody marked with a europium cryptate) and the non-specific phosphodiesterase inhibitor IBMX (3-isobutyl-1-methylxanthine; final concentration 1 mM) are added. After 60 minutes the fluorescence transfer, which correlates with the amount of remaining cAMP, is measured with a microplate reader (Rubystar, BMG) at &#955;ex=337 nm, &#955;em=620 nm and &#955;em=665 nm. The enzyme activity is calculated from the quotient formed from the measured signal at 665 nm and that at 620 nm.
110	1	TR-FRET Assay	In this assay, a GST-tagged human ROR&#947; ligand binding domain (GST-hROR&#947;-LBD) interacts with a synthetic biotinylated TRAP220 cofactor peptide containing an LXXLL motif (amino acids 631-655 from NP_004765). The ligand-binding domain (LBD) of ROR&#947; is expressed as fusion protein with GST in BL-21 (BL3) cells using the vector pDEST15. Cells are lysed by lysozyme-treatment and sonication, and the fusion proteins purified over glutathione sepharose (Pharmacia) according to the manufacturers instructions. The strong constitutive interaction is disrupted upon binding of functional antagonists. The strength of the interaction is monitored by TR-FRET between streptavidine APC interacting with the biotinylated peptide and Europium-labelled Anti-GST. 6 &#956;l ROR&#947;-LBD-GST solution (final 8.7 nM) in assay buffer (20 mM Tris-HCl, pH 6.8, 5 mM MgCl2, 60 mM KCl, 0.1% delipidated BSA, 1 mM DTT) are dispensed into black 384 well small volume plates (Greiner #784076). 6 &#956;l TRAP220 peptide (final 400 nM), SA-APC (final 1.6 ng/&#956;l), Eu-anti-GST (final 0.125 ng/&#956;l) in assay buffer and 2 &#956;l test compounds (DMSO stocks prediluted in 20 mM Tris-HCl, pH 6.8, 5 mM MgCl2, 60 mM KCl) are added and the mixture incubated 60 min at RT in the dark before measuring FRET (excitation 337 nm, emission at 615 and 665 nm).
110	2	M1H Assay	For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 &#956;l inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax, 0.1 mM nonessential amino acids, 1 mM Sodium Pyruvate, Penicillin-Streptomycin into white/white bottom 384 well cell culture plates (Greiner #781080) and incubated for 24 h at 37° C., 5% CO2 and 90% rH. The medium is removed, 8 &#956;l/well transfection mix (a OptiMEM-PEI (Sigma-Aldrich #408727)-based transfection-reagent) added and the cells incubated for 4-6 h at 37° C., 5% CO2 and 90% rH after centrifugation for 1 min at 1200 rpm. After transfection 18 &#956;l complete MEM medium containing 3% charcoal-dextran treated FBS is added as well as 4 &#956;l test compounds (DMSO stocks prediluted in OptiMem (Invitrogen)) followed by incubation for 16-24 h at 37° C., 5% CO2 and 90% rH. Firefly luciferase activity is measured using the Promega ONE-Glo&#153; Luciferase Assay System.
111	1	FLIPR Assay	Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. prior to experiment in 384 well, Poly-D-Lysine coated, black, clear bottom plates (Greiner Bio-One, Monroe, N.C.). Cells were plated at 20,000 cells/well in 20 &#956;A growth medium and incubated at 37° C. with 5% CO2 overnight. At time of assay, media was replaced with 40 &#956;l 1× Hank&#39;s Buffered Saline Solution (HBSS) (with 10 mM HEPES) and 20 &#956;l test compound also diluted in 1×HBSS buffer was added at various concentrations and 0.67% DMSO final concentration on the FDSS for agonist measurement. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;l of agonist peptide for antagonist measurement on the FDSS. The agonist peptide H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 for PAR4 antagonist screen or SFFLRR for PAR1 counter screen were routinely tested to ensure a response at EC50 in the assay (&#152;2.5 &#956;M for H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 and 600 nM for SFFLRR).
111	2	PRP Assay	Briefly, PRP or washed platelet suspension (100 &#956;l) was pre-incubated for 5 minutes at room temperature with varying concentrations of compounds. Aggregation was initiated by 10-50 nM gamma thrombin (Haematologic Technologies, Essex Junction, Vt.), which was titrated daily to achieve 80% platelet aggregation. Refludan at 1 U/mL (Berlex, Montville, N.J.) was added to the gamma thrombin sample to prevent PAR1 activation induced by residual alpha-thrombin contamination. The plate was then placed into a 37° C. Molecular Devices (Sunnyvale, Calif.) SPECTRAMAX Plus Plate Reader. The plate was mixed for 10 seconds before the first read and 50 seconds between each read for up to 15 minutes at 405 nM.
112	1	FlashPlate&trade; Assay	DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 &#956;M DAG, 32 &#956;g/ml PC/PS and 8.4 &#956;M [3H]-oleoylCoA (at a specific activity of 30 nCi/well) in a final volume of 50 &#956;l in 384-well format using the red shifted Basic Image FlashPlate&trade; (Perkin Elmer Cat.No. SMP400). In detail, 10 &#956;l enzyme mix and 10 &#956;l substrate mix were added to 30 &#956;l of assay buffer, optionally in the presence of 1 &#956;l DMSO (blank and controls) or 1 &#956;l of the compound to be tested. This reaction mixture was incubated for 120 minutes at 37° C. and the enzymatic reaction stopped by adding 20 &#956;l of the stop mix. The plates were sealed and the vesicles allowed to settle overnight at room temperature. Plates were centrifuged for 5 minutes at 1500 rpm and measured in Leadseeker.
113	1	In Vitro Human SGLT1 Inhibition Assay	Human sodium/glucose co-transporter type 1 (SGLT1; accession number NP_000334; GI: 4507031) was cloned into pIRESpuro2 vector for mammalian expression (construct: HA-SGLT1-pIRESpuro2). HEK293 cells were transfected with the human HA-SGLT1-pIRESpuro2 vector and the bulk stable cell line was selected in presence of 0.5 &#956;g/mL of puromycin. Human HA-SGLT1 cells were maintained in DMEM media containing 10% FBS, 1% GPS and 0.5 &#956;g/mL of puromycin. The HEK293 cells expressing the human HA-SGLT1 were seeded in 384 well plates (30,000 cells/well) in DMEM media containing 10% FBS, 1% GPS and 0.5 &#956;g/mL of puromycin, then incubated overnight at 37 C, 5% CO2. Cells were then washed with uptake buffer (140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 5 mM Tris, 1 mg/mL bovine serum albumin (BSA), pH 7.3). Twenty microliters of uptake buffer with or without testing compounds were added to the cells. Then, 20 microliters of uptake buffer containing 14C-AMG (100 nCi) were also added to cells. The cell plates were incubated at 37° C., 5% CO2 for 1-2 hours. After washing the cells with uptake buffer, scintillation fluid was added (40 microliters/well) and 14C-AMG uptake was measured by counting radioactivity using a scintillation coulter (TopCoulter NXT; Packard Instruments).
113	2	In Vitro Human SGLT2 Inhibition Assay	Human sodium/glucose co-transporter type 2 (SGLT2; accession number P31639; GI:400337) was cloned into pIRESpuro2 vector for mammalian expression (construct: HA-SGLT2-pIRESpuro2). HEK293 cells were transfected with the human HA-SGLT2-pIRESpuro2 vector and the bulk stable cell line was selected in presence of 0.5 &#956;g/mL of puromycin. Human HA-SGLT2 cells were maintained in DMEM media containing 10% FBS, 1% GPS and 0.5 &#956;g/mL of puromycin. The HEK293 cells expressing the human HA-SGLT2 were seeded in 384 well plates (30,000 cells/well) in DMEM media containing 10% FBS, 1% GPS and 0.5 &#956;g/mL of puromycin, then incubated overnight at 37 C, 5% CO2. Cells were then washed with uptake buffer (140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 5 mM Tris, 1 mg/mL bovine serum albumin (BSA), pH 7.3). Twenty microliters of uptake buffer with or without testing compounds were added to the cells. Then, 20 microliters of uptake buffer containing 14C-AMG (100 nCi) were added to the cells. The cell plates were incubated at 37° C., 5% CO2 for 1-2 hours. After washing the cells with uptake buffer, scintillation fluid was added (40 microliters/well) and 14C-AMG uptake was measured by counting radioactivity using a scintillation coulter (TopCoulter NXT; Packard Instruments).
114	1	Competitive Binding Assay	Competitive binding assays were performed by incubating rhER alpha (&#945;) and beta 1 (&#946;1) receptors with 10 nM [3H]estradiol (the radio ligand) in the presence or absence of increasing concentrations, 0.25 to 250,000 nM, of the phenolic test compounds of Tables 1 to 3 (nM is nano molar). Each data point is the average of at least two assays. Stock solutions of the compounds of Tables 1 to 3 were prepared at 10×E-2 M in 100% ethanol, water or DMSO (dimethyl sulfoxide). Compounds were diluted 10 fold in binding buffer and then 1:4 in the final assay mix. The final concentration of ethanol or DMSO in the assay well was 5%. The highest concentration of the hydrolysis test compound was 2.5×E-4 M (250,000 nM). The residual monomers of Tables 1 to 3 were tested at seven concentrations over log increments. The lowest concentration was 2.5×E-10 M (0.25 nM).
115	1	MKNK1 Kinase High ATP Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate.
116	1	PRMT5/MEP50 Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
117	1	PI3-Kinase HTRF Assay	For the assay 50 mL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 3 &#956;L of a solution of PI3K&#945; and phosphatidylinositol-4,5-bisphosphate (PIP2, 13.8 &#956;M=>final conc. in 4 &#956;l reaction volume=10 &#956;M) in 1× reaction buffer (exact composition not disclosed by the vendor) were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. The amount of PI3K&#945; was chosen to have the enzyme reaction in the linear range and depended on the activity of the individual lot, typical concentrations in assay were in the range of 90 ng/mL. Then the kinase reaction was started by the addition of 1 &#956;L of a solution of adenosine triphosphate (ATP, 40 &#956;M=>final conc. in the 4 &#956;L assay volume is 10 &#956;M) in reaction buffer and the resulting mixture was incubated for a reaction time of 20 min at 22° C. The reaction was stopped by the addition of 1 &#956;L of an stop solution (containing the biotinylated PIP3 used as a tracer), then 1 &#956;L detection mix (containing a Europium-labeled anti-GST monoclonal antibody, a GST-tagged PH domain, and Streptavidin-Allophycocyanin) was added and resulting mixture was incubated 3 h at 22° C. to allow the formation of complexes between the detection reagents and either the PIP3 generated in the kinase reaction, or the biotinylated PIP3 added with the stop solution. Subsequently, the amount of energy transfer complex consisting of a Europium-labeled anti-GST monoclonal antibody, a GST-tagged PH domain, biotinylated PIP3 and Streptavidin-Allophycocyanin (APC) was evaluated by measurement of the resonance energy transfer from the Europium-labeled anti-GST monoclonal antibody to the Streptavidin-Allophycocyanin. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured using a TR-FRET reader, e.g., a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of biotinylated PIP3 bound to the GST-tagged PH domain, which is negatively correlated with the amount of PIP3 generated. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components in the absence of enzyme=100% inhibition). Normally test compounds were tested on the same microtiter plate at 10 different concentrations in the range of 25 &#956;M to 1.3 nM (25 &#956;M, 8.3 &#956;M, 2.8 &#956;M, 0.93 &#956;M, 0.31 &#956;M, 103 nM, 34 nM, 11 nM, 3.8 nM and 1.3 nM, a dilution series prepared before the assay at the level of the 80-fold conc. stock solutions by serial 1:3 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4-parameter fit using in-house software.
117	2	PI3-Kinase HTRF Assay	For the assay 50 nL of a 80-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 3 &#956;l of a solution of PI3K&#946; and phosphatidylinositol-4,5-bisphosphate (PIP2, 13.8 &#956;M=>final conc. in 4 &#956;l reaction volume=10 &#956;M) in 1× reaction buffer (exact composition not disclosed by the vendor) were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. The amount of PI3K&#946; was chosen to have the enzyme reaction in the linear range and depended on the activity of the individual lot, typical concentrations in assay were in the range of 120 ng/mL. Then the kinase reaction was started by the addition of 1 &#956;L of a solution of adenosine triphosphate (ATP, 40 &#956;M=>final conc. in the 4 &#956;l assay volume is 10 &#956;M) in reaction buffer and the resulting mixture was incubated for a reaction time of 20 min at 22° C. The reaction was stopped by the addition of 1 &#956;L of an stop solution (containing the biotinylated PIP3 used as a tracer). Then 1 &#956;L detection mix (containing a Europium-labeled anti-GST monoclonal antibody, a GST-tagged PH domain, and Streptavidin-Allophycocyanin) was added and resulting mixture was incubated for 3 h at 22° C. to allow the formation of complexes between the detection reagents and either the PIP3 generated in the kinase reaction, or the biotinylated PIP3 added with the stop solution. Subsequently the amount of energy transfer complex consisting of a Europium-labeled anti-GST monoclonal antibody, a GST-tagged PH domain, biotinylated PIP3 and Streptavidin-Allophycocyanin (APC) was evaluated by measurement of the resonance energy transfer from the Europium-labeled anti-GST monoclonal antibody to the Streptavidin-Allophycocyanin. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured using a TR-FRET reader, e.g., a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm were taken as the measure for the amount of biotinylated PIP3 bound to the GST-tagged PH domain, which is negatively correlated with the amount of PIP3 generated. The data were normalized (enzyme reaction without inhibitor=0% inhibition, all other assay components in the absence of enzyme=100% inhibition). Normally, test compounds were tested on the same microtiter plate at 10 different concentrations in the range of 25 &#956;M to 1.3 nM (25 &#956;M, 8.3 &#956;M, 2.8 &#956;M, 0.93 &#956;M, 0.31 &#956;M, 103 nM, 34 nM, 11 nM, 3.8 nM and 1.3 nM, a dilution series prepared before the assay at the level of the 80-fold conc. stock solutions by serial 1:3 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit using in-house software.
118	1	FP Competitive Binding Assay (BRD-1F)	The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these three proteins were determined by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Corning 384 well flat bottom black plates (Corning Life Science). Serial dilutions of testing protein were mixed with BRD-1F to a final volume of 80 &#956;l in the assay buffer (100 mM potassium phosphate, pH 7.5, 100 &#956;g/ml bovine &#947;-globulin, 0.02% sodium azide, Invitrogen, with 0.01% Triton X-100 and 2.5% Ethylene Glycol). Final BRD-1F concentration was 5 nM. Plates were incubated at room temperature for 1-2 hours with gentle shaking to assure equilibrium. The polarization values in millipolarization units (mP) were measured at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Equilibrium dissociation constants (Kd) were then calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 5.0 software (Graphpad Software, San Diego, Calif.).
118	2	Biolayer Interferometry (BLI) Binding Assay	Biotin labeled BRD proteins (10 &#956;g/ml) in kinetic assay buffer (PBS, pH 7.4, 0.1% BSA and 0.01% Tween-20) were immobilized on Super Streptavidin (SSA) sensors for 15 minutes followed by washing in kinetic buffer for 10 minutes to eliminate any loose non-specific immobilization. In the same 96-well plate serial dilutions of testing compounds with concentrations typically ranging from 0.1-10 times of expected Kd values in the identical assay buffer were prepared. These protein coated sensors were then immersed into the testing compound solutions, starting from the one with the lowest concentration, where compound association occurs and then returned to the fresh buffer for the dissociation. The same operation was repeated for the next solution with higher concentration up to the one with the highest concentration. Identical procedure was performed again with control sensors that were immobilized with SAB4 inactive control protein prepared by following protocols from the manufacturer. Blank buffer controls were included in both BRD protein sensor and inactive protein sensor runs. For each kinetic cycle, kinetic curves for association and dissociation were obtained from raw sensorgrams by using the double reference subtraction protocol included in the analysis program (Data Analysis 7.0) provided by the manufacturer, in which nonspecific interaction and buffer drift were both corrected. The association and dissociation rate constants (kon and koff) were determined using the global fitting protocol in the analysis program based on a reversible 1:1 binding model. The equilibrium association constant (KA) was calculated thereafter. All binding data were collected at 30 degree. Assay plates were kept being shaken at 1000 RPM in the whole experiment time period to avoid mass transport effect.
118	3	FP Competitive Binding Assay (No.350)	Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to determine binding affinities of representative compounds to both BD1 and BD2 of BRD2, BRD3, and BRD4 proteins. Equilibrium dissociation constants (Id) values of Cpd. No. 350 to these six proteins were determined from protein saturation experiments by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Serial dilutions of testing protein were mixed with Cpd. No. 350 to a final volume of 200 &#956;l in the assay buffer. In order to achieve large dynamic rages, particularly for BD1 bromodomains, 100 mM phosphate buffer (pH=6.5, 0.01% Triton X-100 (Sigma, 282103) being added right before assays) was used as the assay buffer. Final Cpd. No. 350 concentration was 1.5 nM for all proteins. Plates were incubated at room temperature for 30 minutes with gentle shaking to assure equilibrium. FP values in millipolarization units (mP) were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific, Waltham, Mass.) at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Kd values of Cpd. No. 350, which were calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 6.0 software (Graphpad Software, San Diego, Calif.), are 2.0, 2.2, 6.5, 0.6, 5.5, and 3.0 nM to BRD2 BD1 and 2, BRD3 BD1 and 2, and BDR4 BD1 and 2, respectively.
119	1	Monoamine Oxidase Assays	Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 &#956;L. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in triplicate within the same experiment. Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MA-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 50 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. After leaving the enzyme(s) interacting with the inhibitor, 60 to 90 &#956;M of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L (v/v) of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan).
119	2	LSD1 Assay	Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in triplicate. After leaving the enzyme interacting with the inhibitor, 12.5 &#956;M of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 1 hour at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 30 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). 
120	1	Radioligand Binding Assay	200 &#956;l in 96-well plate. Cell membrane homogenates (20 &#956;g protein) are incubated for 120 min at 22° C. with 0.5 nM [3H]PGE2 in the absence or presence of the test compound in a buffer containing 10 mM MES/KOH (pH 6.0), 10 mM MgCl2 and 1 mM EDTA. Nonspecific binding is determined in the presence of 10 &#956;M PGE2. Following incubation, the samples are filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters are dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
120	2	cAMP Assay	1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 &#956;L of reduced serum medium containing 0.5% FBE. Place the plate in a 37° C. incubator with 5% CO2 and incubate overnight. 2. After 16-18 hours of incubation, aspirate the culture media from each well. 3. Add 200 &#956;l of culture medium containing 500 &#956;M IBMX (an inhibitor of cAMP phosphodiesterase) and different concentration of test compounds to the assigned wells. For each test compound, at least 8 concentrations starting at highest 10 &#956;M and lowest 0.01 pM were tested. In addition each concentration had triplicates. A PGE2 curve (concentrations from lowest to highest, 0 pM, 0.384 pM, 1.92 pM, 9.6 pM, 48 pM, 240 pM, 1200 pM, and 6000 pM) was always run in parallel with test compounds. 4. Incubate the cells in a cell culture incubator for 30 minutes. 5. Centrifuge the plate at 1,000× rpm for 10 minutes. 6. Aspirate the supernatant. 7. Add 100 &#956;L of ETA assay buffer to each well and put the plate with the lid in a &#8722;80° C. freezer. Freeze the sample in the &#8722;80° C. for at least one hour. 8. Take the plate out from the &#8722;80° C. freezer and leave it at room temperature to thaw completely. 9. Centrifuge the plate at 1,000× rpm for 10 minutes. 10. Pick up 50 &#956;l of supernatant from each well for cAMP level measurement, using an ELISA assay kit from Cayman chemical, Item #581001. 11. The data was analyzed and the EC50 for PGE2 and each test compound was calculated using GraphPad Prism 5.
120	3	SEAP Activity Assay	1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 &#956;l of reduced serum medium containing 0.5% FBS. Place the plate in a 37° C. incubator with 5% CO2 and incubate overnight. 2. After 16-18 hours of incubation, aspirate the culture media from each well. 3. Add 200 &#956;l of culture medium containing different concentration of test compounds to the assigned wells. For each test compound, at least 8 concentrations starting at highest 10 &#956;M and lowest 0.01 pM were tested. In addition each concentration had triplicates. A PGE2 curve (concentrations from lowest to highest, 0 pM, 0.384 pM, 1.92 pM, 9.6 pM, 48 pM, 240 pM, 1200 pM, and 6000 pM) was always run in parallel with test compounds. 4. After 6-8 hours of stimulation with test compounds and PGE2, 10 &#956;l of culture media from each well was transferred to a corresponding well of a 96-well solid black plate. Cover the plate with the lid. 5. Inactivate the endogenous alkaline phosphatase by heating the samples at 65° C. for 30 minutes. 6. Add 50 &#956;l of luminescence-based alkaline phosphatase substrate (Michigan Diagnostics, LLC, Cat#SAP450101) to each well. 7. Measure the SEAP activity by reading the luminescent signal from each well. 8. The data was analyzed and the EC50 for PGE2 and each test compound was calculated using GraphPad Prism 5.
121	1	Binding Assay	Measurement of EP2 receptor binding action was performed in accordance with the method of Abramovitz et al. (Biochimica et Biophysica Acta, 1483, 285 (2000)). A test compound dissolved in dimethyl sulfoxide (final concentration: 1.0 (V/V) %) and [3H]prostaglandin E2 (NET-428, manufactured by PerkinElmer) (final concentration: 10 nM) were added to a buffer solution (10 mM MES-KOH (pH 6.0), 10 mM MgCl2, 1 mM EDTA) in which 10 &#956;g of a membrane fraction of HEK293 cells expressing human EP2 receptor (ES-562-M, manufactured by Euroscreen) was suspended, and then incubated at 30° C. for 60 minutes. The membrane fraction was recovered on glass fiber filter paper (GF/B, manufactured by Whatman) using a cell harvester (M30R, manufactured by Brandel), and after washing with a buffer solution (10 mM MES-KOH (pH 6.0), 10 mM MgCl2), radioactivity was measured with a liquid scintillation analyzer (2000CA, manufactured by Packard).
122	1	Biochemical Inhibition Assay	The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100× stock. Buffer A (89 &#956;L) containing 33 nM of NAMPT protein was added to 1 &#956;L of 100× compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mix was incubated for 15 minutes at room temperature, then 10 &#956;L of 10× substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 &#956;M NAM, 100 &#956;M 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5&#8242;-triphosphate (ATP). The reaction was allowed to proceed for 30 minutes at room temperature, then was quenched with the addition of 11 &#956;L of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 &#956;M L-Cystathionine. Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.
123	1	ELISA Assay	CVF-Bb complex prepared from purified cobra venom factor (1 &#956;M), recombinant human complement factor B (expressed in drosophila cells and purified using standard methods) and human complement factor D (expressed in E. Coli, refolded and purified using standard methods). CVF-Bb complex at 3 nM concentration was incubated with test compound at various concentrations for 1 hour at room temperature in PBS pH 7.4 containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human complement C3 substrate purified from plasma was added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction was stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, was quantified by means of an enzyme-linked-immunosorbent assay. IC50 values were calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration.
123	2	TR-FRET Assay	Recombinant human factor B (expressed in drosophila cells and purified using standard methods) labeled with biotin (10 nM), europium-labeled streptavidin (5 nM) and (+) or (&#8722;)-2-((1E,3E,5E)-5-(1-(6-((2-(3-(4-((R)-3-amino-3-phenylpropanoyl)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl)phenoxy)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium (Biological Example 2.6, 240 nM activity against factor B when tested using the assay of Biological Example 1) (75 nM) were incubated with test compound at various concentrations up to 2 hours at room temperature in 20 mM Tris/HCl, pH 7.4, 0.005% (v/v) Tween20. The time-gated decrease in fluorescence intensity related to the competition between labeled and unlabeled factor B ligands was recorded at both 620 nm and 665 nm, 70 &#956;s after excitation at 337 nm using a microplate spectrofluorimeter. IC50 values were calculated from percentage of inhibition of complement factor B-(+) or (&#8722;)-2-((1E,3E,5E)-5-(1-(6-((2-(3-(4-((R)-3-amino-3-phenylpropanoyl)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl)phenoxy)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium (Biological Example 2.6, 240 nM activity against factor B when tested using the assay of Biological Example 1) displacement as a function of test compound concentration.
124	1	Ca2+ Mobilization In Vitro Assay	About 24 hrs before an experiment, 5×10^4 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist (2S)-2-amino-4-phosphonobutanoic acid (L-AP4) was added to the cells at a concentration corresponding to EC20 with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of L-AP4 was determined immediately ahead of each experiment by recording of a full dose-response curve of L-AP4. Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-AP4), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-AP4. Graphs were plotted with the % maximal stimulatory using XLfit, a curve fitting program that iteratively plots the data using Levenburg Marquardt algorithm. The single site competition analysis equation used was y=A+((B&#8722;A)/(1+((x/C)D))), where y is the % maximal stimulatory effect, A is the minimum y, B is the maximum y, C is the EC50, x is the log 10 of the concentration of the competing compound and D is the slope of the curve (the Hill Coefficient). From these curves the EC50 (drug concentration at which 50% of the maximal receptor activation was achieved), the Hill coefficient as well as the maximal response in % of the maximal stimulatory effect obtained with saturating concentrations of L-AP4 were calculated (see FIG. 1).
125	1	LRRK2 Kinase Assay	Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additions were done on ice, followed by the addition of ATP mix. Wells were uniformly mixed using an Eppendorff plate shaker and incubated at 30° C. for 20 min, and stopped by the addition of 5 &#956;l of 3% phosphoric acid. Volume was increased to 100 &#956;l by adding 0.8% phosphoric acid which was then transferred to PC filter mats (Millipore), pre-equilibrated with 70% ethanol and water. Plates were washed thrice with 100 &#956;l 0.8% phosphoric acid and dried for an hour at 60° C. 100 &#956;l scintillation fluid was added into each well and reading taken in Perkin Elmer TOPCOUNT beta counter. The data analysis was performed by averaging the duplicate top count readings for each standard, negative, positive control (enzyme control) and samples and subtracting the average negative control from each reading which results in corrected values. A validation EC50 curve was generated by plotting CPM for each Staurosporine concentration on y-axis against the Log concentration of Staurosporine (nM) on the x-axis followed by a best fit curve through the points.
125	2	DYRK1A, DYRK1B, DYRK2 and DYRK3 Inhibition Assay	The 2×DYRK1A/Ser/Thr 18 mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consisted of 1.68-12.5 ng DYRK1A (SEQ ID NO 16) and 2 &#956;M Ser/Thr 18 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:1024 dilution of Development Reagent A was added.
126	1	PDE10A Inhibition Assay	The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.
127	1	Mnk Biochemical Enzymatic Assay	Compounds are screened for Mnk inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Reaction Buffer E (15 mM HEPES pH7.4, 20 mM NaCl, 1 mM EGTA, 10 mM MgCl2, 0.1 mg/ml BGG, and 0.02% Tween-20). Final Mnk1 reactions contained 10 nM recombinant Mnk1 (Life Technologies, PR9138A), 100 &#956;M Mnk substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 300 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final Mnk2 reactions contained 3 nM recombinant Mnk2 (Life Technologies, PV5607), 50 &#956;M Mnk substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 10 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final DMSO concentration in each reaction is 1%. Kinase reactions are carried out in 96-well half-area white flat-bottom polystyrene plates in a final volume of 25 &#956;l. Mnk1/2 enzymes are pre-incubated with compound and peptide substrate for 5 minutes prior to the addition of ATP. After the addition of ATP, kinase reactions are incubated at room temperature for 40 minutes. Reactions are subsequently stopped by the addition of 25 &#956;l of ADP-Glo Reagent and incubating for an additional 40 minutes. The final luminescent signal used for kinase activity readout is produced by the addition of 45 &#956;l of Kinase Detection Reagent (ADP-Glo kit, Promega) and incubating for 40 minutes. The luminescent signal is detected using a Victor 2 multilabel counter (Perkin Elmer) and the concentration of compound necessary to achieve inhibition of enzyme activity by 50% (IC50) is calculated using signals from an 8-point compound dilution series.
128	1	CDK9/CycT1 Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=> final conc. in the 5 ul assay volume is 10 uM) and substrate (1.67 uM=> final conc. in the 5 ul assay volume is 1 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg; C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 1 ug/mL. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0). The resulting mixture was incubated 1 h at 22&deg; C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a HTRF reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 uM to 0.1 nM (20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
128	2	CDK2/CycE Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 ul of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22&deg; C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 ul of a solution of adenosine-tri-phosphate (ATP, 16.7 uM=> final conc. in the 5 ul assay volume is 10 uM) and substrate (1.25 uM=> final conc. in the 5 ul assay volume is 0.75 uM) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22&deg; C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 130 ng/mL. The reaction was stopped by the addition of 5 ul of a solution of TR-FRET detection reagents (0.2 uM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0). The resulting mixture was incubated 1 h at 22&deg; C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 uM to 0.1 nM (20 uM, 5.9 uM, 1.7 uM, 0.51 uM, 0.15 uM, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
129	1	In Vitro Assay PDE2A	Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of infection and the hPDE2A protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 &#956;l) were added in 384 well plates to 20 &#956;l of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 &#956;l of hPDE2A enzyme in incubation buffer was added and the reaction was started by addition of 10 &#956;l substrate to a final concentration of 10 M cGMP and 0.01 &#956;Ci 3H-cGMP. The reaction was incubated for 45 minutes at room temperature. After incubation, the reaction was stopped with 20 &#956;l of stop solution consisting of 17.8 mg/ml PDE SPA scintillation proximity assay) beads supplemented with 200 mM ZnCl2. After sedimentation of the beads during 30 minutes the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blanc values the enzyme was omitted from the reaction and replaced by incubation buffer. Control values were obtained by addition of a final concentration of 1% DMSO instead of compound. A best fit curve is fitted by a minimum sum of squares method to the plot of % of control value subtracted with blanc value versus compound concentration and the half maximal inhibitory concentration (IC50) value is derived from this curve.
129	2	In Vitro Assay PDE10A	Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of infection and the rPDE10A protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 &#956;l) were added in 384 well plates to 20 &#956;l of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 &#956;l of rPDE10A enzyme in incubation buffer was added and the reaction was started by addition of 10 &#956;l substrate to a final concentration of 60 nM cAMP and 0.008 &#956;Ci 3H-cAMP. The reaction was incubated for 60 minutes at room temperature. After incubation, the reaction was stopped with 20 &#956;l of stop solution consisting of 17.8 mg/ml PDE SPA (scintillation proximity assay) beads. After sedimentation of the beads during 30 minutes the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blanc values the enzyme was omitted from the reaction and replaced by incubation buffer. Control values were obtained by addition of a final concentration of 1% DMSO instead of compound. A best fit curve is fitted by a minimum sum of squares method to the plot of % of control value subtracted with blanc value versus compound concentration and the half maximal inhibitory concentration (IC50) value is derived from this curve.
130	1	HCV Replicon Assay Luciferase	Briefly, replicon cells are seeded at 7,000 cells per well in 90 ul DMEM (without phenol red, Invitrogen Cat. #31053-036) per well with 10% FCS, 1% non-essential amino acids, 1% of Glutamax and 1% of 100 penicillin/streptomycin and incubated overnight at 37&deg; C., 5% CO2, 100% relative humidity. 16-20 h after seeding cells, test compounds previously solubilized and titrated in dimethyl sulfoxide ( DMSO") from each X plate and Y plate are diluted 1:100 in DMEM (without phenol red, Invitrogen Cat. #31053-036) with 10% FCS, 1% non-essential amino acids, 1% of Glutamax and 1% of 100 penicillin/streptomycin and added directly to the 96-well plate containing cells and growth medium at a 1:10 dilution for a final dilution of compound and DMSO of 1:1000 (0.2% DMSO final concentration). Drug treated cells are incubated at 37&deg; C., 5% CO2, 100% relative humidity for 72 hours before performing a luciferase assay using 100 ul per well BriteLite Plus (Perkin Elmer) according to the manufacturer's instructions. Data analysis utilizes the method published by Prichard and Shipman (Antiviral Research, 1990. 14:181-205). Using this method, the combination data are analyzed for antagonistic, additive, or synergistic combination effects across the entire combination surface created by the diluted compounds in combination.
131	1	Monoamine Oxidase Assays 	Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of at least eight 3-fold serial dilutions each. Clorgyline and Deprenyl (Sigma Aldrich) was used as a control for specific inhibition of MAO-A and MAO-B respectively. After leaving the enzyme(s) interacting with the inhibitor, KM of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor. The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes. The IC50 values of each inhibitor were calculated with GraphPad Prism Software.
131	2	LSD1 Assays 	Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective inhibitor (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor. The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The IC50 value of each inhibitor was calculated with GraphPad Prism Software. The results presented in Table 1 below show the results of the LSD1 inhibition studies for a number of the Example compounds. In Table 2 the IC50 values for all examples tested in this assay are shown. Parnate (tranylcypromine; i.e., 2-trans phenylcyclopropylamine) was found to have a IC50 value of 35±10 micromolar. The studies show that the compounds of the invention have unexpectedly potent LSD1 inhibition.
132	1	Biochemical Assay of FASN	The biochemical FASN activity testing was performed as 384 well two-time-point kinetic fluorescence intensity assay format in Greiner low volume medium binding 384-well black microtiter plates in a total assay volume of 8 &#956;l and was used for high throughput screen. In each well 3 &#956;l 40 nM human recombinant full-length fatty acid synthase (produced in-house in SF9 cells) were dispensed in the following assay buffer: 50 mM potassium phosphate buffer pH 7.0, 0.005% (w/v) BSA, 2 mM Glutathione, 0.02% Tween-20. Then 2 &#956;l of 200 &#956;M NADPH in assay buffer were added, followed by the addition of the test compounds in 10 dilution concentrations starting with 30 &#956;M (final concentration) to get a final DMSO content of 1% (v/v). The mixture was incubated for at least 15 min at room temperature. After the pre-incubation the enzymatic reaction was started by the addition of 2 &#956;l substrate solution (80 &#956;M acetyl-CoA, 240 &#956;M malonyl-CoA). A first fluorescence intensity measurement (time point one) was performed with an Envision multimode reader (Perkin Elmer LAS Germany GmbH) at excitation wavelength 340 nm (lamp mode) and emission wavelength 460 nm. The reaction was incubated for 30 minutes at room temperature. After this the fluorescence intensity was measured again in the Envision using the same parameters as described above (second time point measurement). The data were analysed by subtracting the first time point measurement value from the second time point measurement value (after the enzymatic reaction). The differences of the emission signals were determined. These reflect directly the conversion rate of NADPH. The full value used was the inhibitor-free reaction. A pharmacological zero value was used like GSK837149A (Sigma-Aldrich) in a final concentration of 5-10 &#956;M. The inhibitory values (IC50) were determined using either the program Symyx Assay Explorer or Condosseo from GeneData.
133	1	Plasma kallikrein assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
133	2	KLK1 assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
134	1	CDK9/CycT1 kinase assay	Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 1 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;l of a solution of TR-FRET detection reagents (0.2 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
134	3	CDK2/CycE Kinase Assay	Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose affinity chromatography, were purchased from ProQinase GmbH (Freiburg, Germany). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI Peptide Technologies (Berlin, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and substrate (1.25 &#956;M=>final conc. in the 5 &#956;l assay volume is 0.75 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 130 ng/mL. The reaction was stopped by the addition of 5 &#956;l of a solution of TR-FRET detection reagents (0.2 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
134	2	CDK9/CycT1 High ATP Kinase Assay	Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from Invitrogen (Cat. No PV4131). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI peptide technologies (Berlin, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of CDK9/CycT1 in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;l assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.5 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;l of a solution of TR-FRET detection reagents (0.2 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0). The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a HTRF reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit using an inhouse software.
134	4	CDK2/CycE High ATP Kinase Assay	Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose affinity chromatography, were purchase from ProQinase GmbH (Freiburg, Germany). As substrate for the kinase reaction biotinylated peptide biotin-Ttds-YISPLKSPYKISEG (C-terminus in amid form) was used which can be purchased e.g. form the company JERINI peptide technologies (Berlin, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of CDK2/CycE in aqueous assay buffer [50 mM Tris/HCl pH 8.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.1 mM sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution ATP (3.33 mM=>final conc. in the 5 &#956;l assay volume is 2 mM) and substrate (1.25 &#956;M=>final conc. in the 5 &#956;l assay volume is 0.75 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 15 ng/ml. The reaction was stopped by the addition of 5 &#956;l of a solution of TR-FRET detection reagents (0.2 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-RB(pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 1.2 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, as an alternative a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]) in an aqueous EDTA-solution (100 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.0).
136	1	Phosphodiesterase Assay	The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This competition based assay is formatted using a cAMP specific antibody labeled with the dye, Alexa Fluor 647, biotin-cAMP and streptavidin labeled with Europium (Eu-SA). As the complex of Eu-SA/biotin-cAMP/Alexa Fluor 647 labeled antibody is formed, an increase in signal is generated. When there is PDE activity, resulting in the degradation of the cyclic nucleotide, the complex is not formed and a decrease in signal is observed. The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5 mM MgCl2, pH 7.4. PDE10A (BPS Bioscience) was used at 200 pg/well (with a specific activity of 3200 &#956;mole/min/&#956;g with assay conditions: 10 mM Tris-HCl, pH7.4, 10 mM MgCl2, 1 mM MnCl2, 200 &#956;M cAMP, 2.5 kU 5&#8242; nucleotidase, 37° C., 20 min). The Biotin-cAMP tracer, supplied in 10 mmol/L Tris-HCl buffered (pH 8.0) salt solution with 1 mmol/L ethylenediaminetetraacetic acid (EDTA), 0.1% bovine serum albumin (BSA), and 0.05% sodium azide, is used at a dilution of 1/375. The assay detection mixture contained the LANCE Eu-W8044 labeled streptavidin 1/2250 (supplied in 50 mmol/L Tris-HCl buffered (pH 7.8) salt solution with 0.9% sodium chloride (NaCl), 0.1% BSA, and 0.05% sodium azide) and the Alexa Fluor 647-anti cAMP antibody 1/200 (supplied in 50 mmol/L Tris-HCl buffered (pH 7.8) salt solution with 0.9% NaCl, 0.1% BSA, and 0.05% sodium azide). Chemical compounds were dissolved in DMSO (final concentration 2% (v/v)). In a 384-well plate, 2 &#956;L inhibitor and 3 &#956;L PDE were added to the well, followed by the addition of 5 &#956;l substrate biotinylated cAMP (1:5). After 60 min incubation at room temperature, 10 &#956;L of assay detection mixture was added to the assay plate. After 1 h at room temperature, the signal was measured on EnVision (Perkin Elmer).
137	1	Inhibition Assay of Cdc7 Activity	The assay consists of the transfer of radioactivity labeled phosphate moiety by the kinase to an acceptor substrate. The resulting 33P-labeled product is separated from unreacted tracer, transferred into a scintillation cocktail and light emitted is measured in a scintillation counter. The inhibition assay of Cdc7/Dbf4 activity is performed according to the following protocol. The MCM2 substrate is trans-phosphorylated by the Cdc7/Dbf4 complex in the presence of ATP traced with &#947;33-ATP. The reaction is stopped by addition of Dowex resin in the presence of formic acid. Dowex resin particles capture unreacted &#947;33-ATP and drag it to the bottom of the well while 33P phosphorylated MCM2 substrate remains in solution. The supernatant is collected, transferred into Optiplate plates and the extent of substrate phosphorylation is evaluated by &#946; counting. The inhibition assay of Cdc7/Dbf4 activity was performed in 96 wells plate according to the following protocol.
138	2	HDAC1 Assay	Human recombinant full length HDAC1 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The substrate used in the HDAC1 assay was 5 &#956;M of acetyl-Gly-Ala-Lys(acetyl)-AMC.
138	1	HDAC4 Assay	Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-to-Bac system (Invitrogen). Test compounds were serially diluted to reach final test concentrations from 0.000128 &#956;M to 10 &#956;M. HDAC4 and test compounds were incubated in 25 mM Tris buffer pH 8.0 containing 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% (w/v) bovine serum albumine and 0.005% (v/v) Triton-X-100 for 2 hours at room temperature in presence of 5 &#956;M of acetyl-Gly-Ala-Lys(&#949;-trifluoroacetyl)-AMC (AMC=7-amino-4-methyl coumarin) in a final volume of 9 &#956;l. Control wells with HDAC4 only (positive control) and without HDAC4 (negative control) were included on the microplate. Bovine trypsin (4.5 &#956;l of a 300 nM solution) was added and the plate incubated for additional 15 minutes at room temperature. The plate was placed in a fluorescence microplate reader, and read at an excitation wavelength of 360 nm and an emission wavelength of 450 nm with a 10 nm bandpath. Fluorescence values for all wells containing HDAC4 (positive control and wells with test compound) were corrected by subtracting negative control fluorescence values, and IC50 values were calculated by fitting the dose-response curves to a 4-parameter logistic function.
138	3	HDAC6 Assay	Human recombinant full length HDAC6 expressed in a baculovirus expression system was purchased from BPS BioSciences (San Diego, Calif., U.S.A.). The substrate used in the HDAC1 assay was 5 &#956;M of acetyl-Gly-Ala-Lys (acetyl)-AMC.
139	1	PI3K (p110&#945;/p85&#945;) (h) [Non-Radioactive Assay]	PI3K (p110&#945;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the ATP solution. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
139	2	PI3K (p110&#946;/p85&#945;) (h) [Non-Radioactive Assay]	PI3K (p110&#946;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
140	1	O-GlcNAcase Biological Assay	Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production is determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. The values for a four parameter logistic curve fit of the data are determined. KI values are determined using the Cheng-Prusoff equation; the Km of O-GlcNAcase for substrate is 0.2 mM. Many compounds of the invention exhibit KI values for inhibition of O-GlcNAcase in the range 0.1 nM-50 &#956;M.
141	1	Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 &#956;M final concentration). Final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20. Final volume of the quenching solution was 10 &#956;L. The resulting HTRF signal was measured after 30 minutes on an EnVision (Perkin-Elmer) reader using a time-resolved fluorescence protocol.
144	1	Assay of Co-Activator Recruitment by TR-FRET	Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well plates in a total assay volume of 50.5 &#956;L. The assay buffer contained 50 mM TRIS HCL pH 7.5, 1 mM NaCl, 2 mM MgCl2, 0.5 mg/mL bovine serum albumin, and 5 mM dithiothreitol. The final concentration of reagents was 6.3 nM RORC2 LBD, 200 nM SRC1-2, 50 nM streptavidin APC, 1 nM Europium-labeled anti-His antibody, and varying concentrations of compounds such that final concentration of DMSO is 1% (v/v). The assay steps were: (1) dispensing 500 &#956;L compound at 100× final concentration in DMSO (test wells) or DMSO only (control wells for no inhibition); and (2) dispensing 50 &#956;L mixture of the other assay components including receptor (test wells) or excluding receptor (control wells for maximal inhibition). Assay mixtures were incubated are room temperature for 3 hr and read in EnVision 2100 Multilabel Reader (PerkinElmer Life Sciences) at Excitation Filter 320, Emission Europium Filter 615, Emission APC Filter 665, Dichroic Mirror D400/D630. TR-FRET signal was determined by calculating the ratio of 665 nm by 615 nm and IC50 values of compounds of the invention (Table 1) were determined by the non-linear regression analysis of dose response curves.
145	1	Mps-1 Kinase Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and peptide substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 &#956;l assay volume). The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-J gesheinn, Germany]. The resulting mixture was incubated 1 h at 22° C. to allow the binding of the phosphorylated peptide to the anti-phospho(Ser/Thr)-Europium-antibody. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Europium-labelled anti-phospho(Ser/Thr) antibody to the Streptavidin-XLent. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a Viewlux TR-FRET reader (PerkinElmer LAS, Rodgau-J gesheinn, Germany). The blank-corrected normalized ratio (a Viewlux specific readout, similar to the traditional ratio of the emissions at 665 nm and at 622 nm, in which blank and Eu-donor crosstalk are subtracted from the 665 nm signal before the ratio is calculated) was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Test compounds were tested on the same microtiter plate at 10 different concentrations in the range of 20 &#956;M to 1 nM (20 &#956;M, 6.7 &#956;M, 2.2 &#956;M, 0.74 &#956;M, 0.25 &#956;M, 82 nM, 27 nM, 9.2 nM, 3.1 nM and 1 nM, dilution series prepared before the assay at the level of the 100 fold conc. stock solutions by serial 1:3 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit using an inhouse software.
7484	1	NMR (OAH or OAMe)	The NMR experiments were carried out in 10 mM sodium phosphate buffer at a pH of 11.3, while the ITC experiments were performed in 50 mM sodium phosphate buffer at pH 11.5. Both sets of experiments were conducted at 298 K, except that the NMR results for OAMe-G4 were obtained at 278 K.
7484	2	NMR (OBClip)	The experimental studies were carried out in 20 mM sodium phosphate buffer at pH7.4, at a temperature of 298 K.
7484	3	UV/VIS	The experimental studies were carried out in 20 mM sodium phosphate buffer at pH7.4, at a temperature of 298 K.
146	1	Raf IC50 Assay	Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-resolved fluorescence energy transfer assay. The assay was carried out in reactions (10 &#956;L) containing 0.0625 nM B-Raf or 0.5 nM C-Raf, 25 mM Tris pH7.4, 10 mM MgCl2, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM beta-glycerophosphate, 0.01% Triton X-100, 2.5 mM DTT, 0.1% BSA, 0.1 mM ATP, 13.7 nM GST-tagged MEK1 (Full-length protein with K97R mutation, recombinant protein purified from bacterial expression system) and 0-5 &#956;M compounds disclosed herein (final concentration of 1% DMSO). The enzyme was incubated with the compounds at room temperature for 60 minutes and the reactions were initiated by the addition of ATP and GST-MEK1. After reaction at room temperature for 60 minutes, an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (CisBio Bioassays). The stop/detection solution contained Eu3+ cryptate-conjugated anti-phospho MEK1/2 (Ser217/221) rabbit polyclonal antibody and d2-conjugated anti-GST mouse monoclonal antibody in buffer containing 25 mM Tris pH7.4, 400 mM KF, 50 mM EDTA, 0.01% BSA and 0.01% Triton X-100. Plates were sealed and incubated at room temperature for 2 hours, and the TR-FRET signals (ratio of fluorescence emission at 665 nm over emission at 620 nm with excitation at 337 nm wavelength) were recorded on a PHERAstar FS plate reader (BMG Labtech). Phosphorylation of MEK1 led to the binding of anti-phospho-MEK1/2 antibody to GST-MEK1 protein that place fluorescent donor (Eu3+ crypate) in close proximity to the accepter d2 on the anti-GST antibody, thus resulting in a high degree of fluorescence resonance energy transfer from the donor fluorophore (at 620 nm) to the acceptor fluorophore (at 665 nm). Inhibition of RAF kinase activity resulted in decrease of the TR-FRET signal. The IC50 for each compound was derived from fitting the dose-response % inhibition data to the four-parameter logistic model by Graphpad Prism software.
147	1	Human ENPP2 (hENPP2) Assay	Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate. 5 &#956;L of a dilution series of compound, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. hENPP2 is used at a final concentration of 1 &#956;g/mL or 3 &#956;g/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.5, 500 mM NaCl, 5 mM KCl, 10 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 10 &#956;L. the reaction is started by the addition of 10 &#956;L of 150 &#956;M LPC (palmitoyl 16:0) diluted in the same buffer as described above and the mixture is incubated at 37° C. for 30 min. The reaction is terminated and choline quantified by the addition of a 25 &#956;L of a mixture containing 0.6 U/mL of choline oxidase, 0.6 U/mL of peroxydase, 1.8 mM TOOS, 1.2 mM amino-antipyrine, 20 mM EGTA (stop-developer solution) diluted in the buffer described above. Luminescence is read on the Envision after an incubation of 30 min at room temperature (Excitation 555 nm, excitation light=70%).
148	1	ERK-2 Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in dimethylsulfoxide ( DMSO ) in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 1 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. The data collected from each well was fit to a straight line and the resulting rates were used to calculate percent of control. Percent of control was plotted against compound concentration and IC50 values were determined using a four-parameter fit. Table 1 contains representative data for Examples disclosed herein. The reported IC50 in Table 1 may be from a single assay or the mean of multiple assays. Examples 1-570 were tested in the above assay and were found to have an IC50 of less than 1 &#956;M. Examples 1-130, 133-135, 137-210, 212-386, 388-418, 420-511, 513-562 and 564-570 (562 out of 570 examples) were tested in the above assay and were found to have an IC50 of less than 100 nM. Many of the Examples (507 out of 570) were tested in the above assay and were found to have an IC50 of less than 10 nM.
149	1	Receptor Selection and Amplification Assays	NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent (QIAGEN, Valencia, Calif.) as per the manufacturer&#39;s protocols. After 16-22 hours, medium was replaced with DMEM containing 1% PSG, 0.5% calf serum, 25% Ultraculture synthetic supplement (Cambrex, Walkersville, Md.) instead of calf serum, and the indicated concentrations of ligand. Cells were then grown in a humidified atmosphere with 5% ambient CO2 for 4 to 6 days. Media were then removed from the plates, and beta-galactosidase activity was measured by the addition of o-nitrophenyl-D-galactopyranoside (in phosphate-buffered saline with 5% NP-40 detergent). The resulting colorimetric reaction was measured in a spectrophotometric plate reader (Titertek, Helsinki, Finland) at 420 nM. All data represent the mean of three wells and were analyzed using the computer program Excel Fit, and EC50 determinations were made using least-squares fit analysis with GraphPad Software Inc. (San Diego, Calif.) software.
149	2	[35S] GTPgammaS Binding Assays	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S] GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well for counting on the Packard TOPCOUNT. EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested.
150	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). Compounds having an IC50 of 1 &#956;M or less were considered active. IC50 data for the example compounds is provided in Table 1 (+ refers to IC50&#8806;100 nM; ++ refers to IC50>100 nM and &#8806;500 nM).
151	1	Viral Cytopathic Effect (CPE) Assay	To measure anti-RSV activity of compounds, 96-well plates are seeded with 6×103 cells per well in Dulbecco&#39;s modified Eagle&#39;s medium (DMEM) containing 10% fetal bovine serum (FBS). Cells are infected the next day with sufficient RSV Long strain (ATCC) to produce an approximately 80-90% cytopathic effect after 6 days, in the presence of serial half-log diluted compound in a total volume of 200 &#956;L per well. The viability of cells is assessed after 6 days using Cell Counting kit-8 (Dojindo Molecular Technologies). The absorbance at 450 nm and referenced at 630 nm is measured to determine 50% effective concentration (EC50). The compounds of the present invention were tested for their anti-RSV activity, and the activation as described herein. The Examples were tested in the above assay and found to have EC50 of about 0.0001 &#956;M to about 10 &#956;M. Particular compound of formula (I) were found to have EC50 of about 0.0001 &#956;M to about 1 &#956;M. Further particular compound of formula (I) were found to have EC50 of about 0.0001 &#956;M to about 0.1 &#956;M.
152	1	Luciferase-Coupled Chemiluminescence Assay	Kinase activity is measured as the percent of ATP consumed following the kinase reaction using luciferase-luciferin-coupled chemiluminescence. Reactions were conducted in 384 or 1536-well white medium binding microtiter plates (Greiner). Kinase reactions were initiated by combining test compounds, kinase, and ATP in a 20 &#956;L volume (6 &#956;L volume for 1536-well plate). The reaction mixture was incubated at ambient temperature for 2 h. Following the kinase reaction, a 20 &#956;L (or 3 &#956;L for 1536-well plate) aliquot of KinaseGlo (Promega) was added and the chemiluminescence signal measured using an EnVision plate reader (Perkin Elmer). Total ATP consumption was limited to 25-60% and the IC50 values correlate well with those determined by radiometric assays.
154	1	Kinase Assay	In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length immunoprecipitated Bcr-abl. Recombinant abl was expressed in Sf9 insect cells and purified as described above. Bcr-abl immune complexes were obtained with Ab-3 anti-abl monoclonal antibody (Oncogene Science) from Ba/F3.p210 lysates as previously described. 1 &#956;g of recombinant abl or immunoprecipitated Bcr-abl (from 3×106 cells) were incubated with various concentrations of test compound (0.1, 1 and 10 M) in kinase buffer (50 mM Tris-HCl pH 7.5, 10 mM MgCl2, 100 mM EDTA, 1 mM DTT, 0.015% Brij 35), 100 &#956;M ATP and 1 &#956;Ci [&#947;-32P]-ATP for 30 min at 30° C. (Calbiochem buffer and protocol). The reaction was stopped by addition of Laemmli buffer and the proteins were resolved by SDS-PAGE in a 4-20% gel. The phosphoproteins were visualized by autoradiography and the autophosphorylation quantitated using a phosphoimager (STORM, Molecular Devices).
156	1	In Vitro Functional Activity (Agonism) on Human 51P5 Receptors	The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA clone and CHO AequoScreen recombinant cell-line, catalog n&deg;: ES-593-A, September 2006). Human-S1P5-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P5 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9251;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
156	3	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method B)	The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-0197C, December 2009). Recombinant CHO-K1 cells expressing human S1P1, grown to mid-log Phase in culture media without antibiotics, detached, centrifuged and re-suspended. For agonist testing cells are mixed with compound and Forskolin and incubated at room temperature. Cells are lyses and cAMP concentration are estimated, according to the manufacturer specification, With the HTRF kit from CIS-BIO International (cat n°62AM2PEB). Agonistic effects of compounds are expressed as a percentage of the activity of the reference compound at its EC100 concentration, EC50 is calculated and results are reported as pEC50. Compounds were tested at a 10 points half log concentration range duplicated in 1 experiment.
156	4	In Vitro Functional Activity (Agonism) on Human S1P3 Receptors	The CHO-human-S1P3-Aeqorin assay (CHO/G&#945;16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (accession number in GenBank NM_005226 was purchased from UMR cDNA resource Centre (Rolla, Mo.). The pcDNA3.1/hS1P3 construct carrying the mitochondrially targeted apo-Aeqorin and G&#945;16 protein was transfected in CHO K1 cell-line. Human-S1P3-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P3 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
156	2	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A)	The CHO-K1-human-S1P1-Acqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone and CHO-K1 AequoScreen recombinant cell-line, catalog n&deg;: FAST-0197 L, February 2010). Human-S1P1-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P1 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 2 independent experiments were performed in single point&#39;s measurements.
157	1	Binding Test for V1b Receptor	Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 2 mmol/L magnesium chloride, 0.3 mmol/L ethylenediaminetetracetic acid, and 1 mmol/L glycol ether diaminetetraacetic acid). The resulting homogenate was centrifuged at 50,000×g at 4° C. for 20 minutes. The precipitate was resuspended in a 75 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 12.5 mmol/L magnesium chloride, 0.3 mmol/L ethylenediaminetetracetic acid, 1 mmol/L glycol ether diaminetetraacetic acid, and 250 mmol/L sucrose) to give a crude membrane preparation, which was stored at &#8722;80° C. until the binding test was initiated. In the binding test, the crude membrane preparation was diluted with a 50 mmol/L tris-hydrochloric acid buffer (pH 7.4 and containing 10 mmol/L magnesium chloride and 0.1% bovine serum albumin) and mixed with each test compound and [3H]AVP (final concentration: 0.4 to 1 nmol/L), followed by incubation at room temperature for 60 minutes. The test compound was serially diluted with DMSO so that it would have final concentrations of 0.01 nmol/L to 1 &#956;mol/L at the time of mixing. After the incubation, the mixture was suction filtered through a GF/C filter that was preliminarily impregnated with 0.3% polyethyleneimine. The GF/C filter was dried and after adding a scintillator, the residual radioactivity on the filter was measured using TopCount (PerkinElmer Inc.). The radioactivity in the presence of unlabeled AVP at 10 mmol/L was defined as 0%, and the radioactivity in the absence of unlabeled AVP was defined as 100%. A dose-response curve was plotted from radio activities in the presence of a test compound at various concentrations, and the 50% inhibitory concentration (IC50 value) of the test compound was calculated.
158	1	&#946;-Lactamase Enzyme Inhibitory Assay	For the measurement of &#946;-lactamase inhibitory activity, 100 &#956;M (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% DMSO, 10 &#956;g/mL bovine serum derived albumin (Sigma-Aldrich) and 50 mM phosphate buffer at pH 7.0 were used as a reaction solution. To each well of a 96-well plate were added test compounds (compounds shown in Table 14) and AmpC (final concentration 0.5 nM), followed by pre-incubation at 30° C. for 10 minutes. Nitrocefin was added to each well to be mixed therein, followed by incubation at 30° C. for 20 minutes, and Multiskan Ascent (Thermo Fisher Scientific) was used to measure 492 nm wavelength, thereby measuring nitrocefin hydrolytic activity of AmpC, to determine enzyme inhibitory activity. As a control, a reaction solution excluding AmpC was prepared, and the concentration of a test compound exhibiting 50% inhibition was determined to be IC50 value.
159	1	mGlu5 Ca2+ Flux Assay	HEK 293A cells stably expressing rat mGlu5 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 &#956;L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, 100 units/mL penicillin/streptomycin plus 250 ng/mL Fungizone, and 1 mM sodium pyruvate) at a density of 20K cells/well. The cells were grown overnight at 37° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 &#956;L of 2.3 &#956;M Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 45 minutes at 37° C. Dye was removed, 20 &#956;L of assay buffer was added, and the plate was incubated for 5 minutes at room temperature.
159	2	mGlu3 Ca2+ Flux Assay	G&#945;15/TREx cells stably expressing rat mGlu3 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 &#956;L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, 25 ng/mL tetracycline, 100 units/mL penicillin/streptomycin plus 250 ng/mL Fungizone, and 1 mM sodium pyruvate) at a density of 15K cells/well. The cells were grown overnight at 37° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 &#956;L of 2.3 &#956;M Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 60 minutes at room temperature. Dye was removed, 20 &#956;L of assay buffer was added, and the plate was incubated for 10 minutes at room temperature.
160	1	ELISA Assay	Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm.
162	1	Electrophysical Characterization Assay	Human embryonic kidney (HEK) 293 cells (ATCC CRL 1573) and/or Xenopus laevis oocytes were used for expressing the human a1-3 glycine receptor subunit as well as human a1, b3, g2 GABA receptor subunit cDNAs inserted into mammalian expression vectors. Patch- and voltage-clamp recording from receptor expressing cells was performed at a holding potential of &#8722;70 mV in normal Ringer solution and digitized for analyses. Dose-response curves of agonist induced peak currents (I) were normalized to the maximal current value obtained and fitted with the sigmoidal Hill equation using a Gauss Marquardt iteration, where EC50 represents the glycine/GABA concentration resulting in a half maximal response. Effects of the compounds tested on agonist induced currents were analysed after superfusing the cells with the respective compound for 5 seconds prior to and during agonist application and dose-response curves of modulated currents were determined in the presence of agonist concentrations eliciting a response corresponding to 20% of the maximal inducible current (EC20 value).
163	2	Adaptor Kinase Assay of LRRK2 [G2019S]	In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.
163	1	ERK5 Kinase Activity In Vitro Assay	Kinase activity was determined in an assay volume of 40 &#956;l in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) containing 200 ng of pure active ERK5 and the indicated amount of inhibitor. Reaction started by adding 10 mM magnesium acetate, and 50 &#956;M [&#947;-32P]-ATP (500 cpm/pmol) and 250 &#956;M PIMtide (ARKKRRHPSGPPTA) as substrates. Assays were carried out for 20 mM at 30° C., terminated by applying the reaction mixture onto p81 paper and the incorporated radioactivity measured as described previously.
164	1	Reporter Gene Assay	The induction of NF-&#954;B in a TLR2-specific reporter gene assay was quantified using HEK-BLUE&#153; cells as previously described (Wu, W. et al., J. Med. Chem. 2010, 53, 3198-3213). HEK293 cells stably transfected with either human TLR2 or murine TLR2 and alkaline phosphatase (sAP) were obtained from InvivoGen (San Diego, Calif.), and were maintained in HEK-BLUE&#153; Selection medium containing zeocin and normocin. Stable expression of secreted alkaline phosphatase (sAP) under control of NF-&#954;B promoters is inducible by TLR2 agonists, and extracellular sAP in the supernatant is proportional to NF-&#954;B induction. HEK-Blue cells were incubated at a density of &#152;105 cells/mL in a volume of 80 &#956;L/well, in 384-well, flat-bottomed, cell culture-treated microtiter plates until confluency was achieved, and then stimulated with serially-diluted aliquots of compounds for 12 h. sAP was assayed spectrophoto-metrically using an alkaline phosphatase-specific chromogen (present in the HEK-detection medium as supplied by the vendor) at 620 nm. For antagonism assays, HEK-Blue cells were incubated at a density of &#152;105 cells/mL in a volume of 80 &#956;L/well and stimulated with either PAM2CS (1 &#956;g/mL) or lipoteichoic acid (1 &#956;g/mL) in the presence of graded concentrations of the test compounds as described for TLR7 previously (Shukla, N. M.; et al., Bioorg. Med. Chem. Lett. 2009, 19, 2211-2214; Shukla, N. M. et al., Bioorg. Med. Chem. 2011, 19, 3801-3811).
165	1	Inhibition of Ca Flux Activity of 5-HT3 In Vitro Assay	The 5-HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux activity of 3HT3a receptor expressed in HEK-293T cells. HEK-293T cells were transfected with the 5-HT3a expression construct using Xtreme Gene 9 (Roche) in 150 mm tissue culture treated plates and incubated for 24 hours at 37° C. Cells were then split and plated at a density of 60K cells/well in poly-lysine coated, black 96-well plates with clear bottoms (BD BioSciences) and incubated overnight at 37° C. Growth media was removed and cells loaded with 200 uL calcium indicator dye in HBSS containing 20 mM HEPES (Calcium 5 Assay kit, Molecular Devices) and incubated at 37° C. for 1 hour. While cells were incubating, the 10× antagonist and agonist/antagonist addition plates were made. For 10× antagonist plate: half log serial dilutions (final concentrations range from 10&#8722;7 through 10&#8722;10 with the bottom well a negative, no ligand control) were made from test compounds in DMSO at a 1000× concentration and then diluted to 10× in HBSS/20 mM HEPES. For addition plate: 5HT was diluted to 100× in HBSS/20 mM HEPES (final concentration in the assay-216 nM) and 15 uL was added to each well of the addition plate, 15 uL of 10× compound was also added to the addition plate, and finally 120 uL of HBSS/20 mM HEPES (for a total of 150 uL). Cells were then removed from the incubator and equilibrated to room temperature for 10 minutes, then 22.5 uL of 10× test compounds were added in triplicate to the plates and incubated at room temperature for 10 minutes (Tropisetron was used as a positive control in every assay). Test plate and addition plate were loaded into the FlexStation III (Molecular Devices), and using the fluidics, 22.5 uL compound additions were made (at t= 17 seconds), and fluorescence was measured for 90 seconds, reading every 2.2 seconds. Data sets were analyzed as max minus min using Software Max Pro (Molecular Devices). IC50 curves were generated using non-linear regression in GraphPad Prism.
166	1	PDE Fluorescence Polarization assay	In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm). The data was analyzed using Prism Software (GraphPad Inc, San Diego, Calif.).
167	1	TBD	TBD
167	2	TBD	TBD
167	3	TBD	TBD
167	4	TBD	TBD
167	5	TBD	TBD
168	1	Biacore Assay	The amount of a ligand immobilized on a sensor chip was adjusted within the range of 1608 RU to 8042 RU, so as to suppress mass transport limitation. As analytes, biocytin and Compound 29 (the structure thereof is shown below) synthesized in Example 1 were used. It is to be noted that biocytin is a main existence form of biotin. With regard to the concentrations of the analytes, in the case of biocytin, eight 2-fold dilution series were prepared from 1 &#956;M, and in the case of Compound 29, twelve 2-fold dilution series were prepared from 16 &#956;M. The measurement was carried out at a flow rate of 30 &#956;l/min, for a contact time of 120 seconds, and for a dissociation time of 600 seconds. For the analysis of the data, sensorgrams for all concentrations were incorporated into analysis software, the equilibrium value analysis was then carried out, and the dissociation constant KD was then calculated.
169	1	Radioligand binding assay	Rhesus H3 radioligand binding assay was performed using rhesus H3 receptor membranes (prepared as described above), [3H]-Methylhistamine (Perkin Elmer) and WGA SPA beads (wheat germ agglutinin scintillation proximity assay) beads (Amersham). The assay was performed in 96-well Opti-Plates (Packard). Each reaction contained 50 &#956;l rhesus H3 membranes (20-30 &#956;g total protein), 50 &#956;l WGA SPA beads (0.1 &#956;g) and 50 &#956;l of 83 Ci/mmol [3H]-Methylhistamine (final concentration 2 nM) and 50 &#956;l of tested compound. The compounds of this invention and/or vehicle were diluted with binding buffer from 10 mM DMSO stocks. Assay plates were sealed with TopSeal (Perkin Elmer) and mixed on shaker (25° C., 1 hour). 
170	1	KCa3.1 Assay	HEK293 cells over-expressing human KCa3.1 are used to measure the effects of compounds in inhibiting the KCa3.1 channel function. The assay is based on measuring the influx of Tl+ through KCa3.1 using a FLIPR dye assay (FLIPR Potassium Ion Channel Assay Kit #R8154 by Molecular Devices). The day before the assay HEK293/KCa3.1 cells are seeded on a 384 well plate. On the day of the assay, media is removed and replaced with Molecular Devices Potassium Ion Channel dye then incubated for 1 hour according to manufacturer&#39;s recommendations. The cells are then treated with compounds or DMSO control for 15 min, followed by addition of thallium (final concentration=1.5 mM) and ionomycin (final concentration=1 uM). The plate is read on HAMAMATSU 60000 measuring fluorescence signal for 50 seconds using (Em: 565-625 nm). Data analysis: HAMAMATSU 6000 data are exported using max-min value for frame 10 and 40 and corrected by spatial uniformity correction. Percent of control (POC) is calculated as 100×(max-minFlsample&#8722;max-minFllow)/(max-minFlhi&#8722;max-minFllow). Max-min Flsample is max-min value of each sample well containing test compound. Max-min Fllow is average max-min value of wells containing reference inhibitory compound.
172	1	In Vitro AMPK Activation Assay	The in vitro AMPK activation assay is performed in a volume of 30 &#956;l in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by adding 15 &#956;l of 2× enzyme in assay buffer (20 mM HEPES, pH 7.3, 5 mM MgCl2, 3 mM DTT, 0.01% Brij 35 and CamK Kinase, to activate AMPK) to wells which contained either DMSO or compound. The reaction was initiated with the addition of 15 &#956;l 2× substrate mixture containing 200 &#956;M ATP, and 3.0 &#956;M fluorescently labeled SAMS (5-FAM-HMRSAMSGLHLVKRR-COOH) in assay buffer. After 45-minute incubation at 25° C., the reaction was stopped by the addition of 70 &#956;l stop buffer (100 mM HEPES, pH 7.3, 40 mM EDTA, 0.015% Brij 35). Phosphorylated 5-FAM SAMS product is assessed using a Caliper EZ Reader LabChip microfluidics reader. Product conversion is determined by calculating the peak heights of the substrate and product and reporting the product/(product+substrate) peak ratio. The 10-point titration data were expressed as % maximum AMP activation. The results were plotted using 4 parameter fit and the inflection point reflecting 50% of the maximum activation was reported as the EC50.
173	1	Inhibition of Human DPPI (Cathepsin C)	The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 &#956;g/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature. Five uL test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest 5 (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 &#956;L of DPPI in MES buffer (final concentration 0.0125 ng/&#956;L) and incubated for 10 min. Then, 5 &#956;L of substrate in MES buffer (final concentration 50 &#956;M) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 &#956;L of Gly-Phe-DMK in 10 MES-buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).Each assay microtiter plate contained wells with vehicle controls (1% DMSO in bidest+0.075% 15 BSA) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (Gly-Phe-DMK, in bidest+1% DMSO+0.075% BSA, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values). The analysis of the data was performed by calculating the percentage of fluorescence in the presence of test compound in comparison to the fluorescence of the vehicle control after 20 subtracting the background fluorescence using the following formula:(RFU(sample)&#8722;RFU(background))*100/(RFU(control)&#8722;RFU(background)) 
174	1	Scintillation Proximity Assay (SPA)	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 .mu.l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. #A-7906), 50 nM cGMP (Sigma, cat. #G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. #TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat #SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 .mu.l of YSi-SPA scintillation beads (GE Healthcare, cat. #RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer TopCount Scintillation plate reader. 
171	1	Binding Assay	The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists, Molecular Pharmacology 68(4):1039-1048 (2005). This radioligand binding assay used [3H]-SCH23390, a radiolabeled D1 ligand, to evaluate the ability of a test compound to compete with the radioligand when binding to a D1 receptor.D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000×g for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). 
175	1	JAK1 Kinase Assay	TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK1 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 &#956;M ATP and 1.2 &#956;M substrate solution. The appropriate amount of JAK1 kinase (Invitrogen, Catalog Number: pv4774) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)]17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of an aqueous solution of a test compound (5 &#956;L of pure water only were added to the control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody was added [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell Signaling Technology, Catalog Number: 5465)], and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added, and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction.
175	2	In vitro kinase assay	In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK2 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 &#956;M ATP and 1.2 &#956;M substrate solution. The appropriate amount of JAK2 kinase (Invitrogen, Catalog Number: pv4210) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)]17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of aqueous solution of a test compound (5 &#956;L of pure water only were added to control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm.
175	3	In vitro kinase assay	TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required by the experiment. JAK3 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 M ATP and 1.2 M substrate solution. The appropriate amount of JAK3 kinase (Invitrogen, Catalog Number: pv3 855) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Item: AAAND-0005)]17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of aqueous solution of a test compound (L of pure water only were added to the control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm.
176	1	Scintillation Proximity Assay (SPA)	A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes were provided by Biology and the cloning of the receptor and P2Y1 receptor membrane preparation is same as described by Biology). Binding reactions were performed in 384-well OptiPlates (PerkinElmer Life Sciences, Cat #6007299) in a volume of 50 &#956;L containing 15 fmol of P2Y1 receptor (1.7 &#956;g of total protein), 0.3 nM [33P] 2MeS-ADP (PerkinElmer; 2,000 Ci/mmol), various concentrations of the test compound (usually between 10 &#956;M and 160 pM) in Buffer B containing 1% DMSO in assay buffer (15 mM, HEPES, 145 mM potassium chloride, 5 mM sodium chloride, 5 mM EDTA, 0.1 mM MgCl2, pH 7.4) and 100 &#956;g of SPA bead (WGA polystyrene Image beads, #RPNQ 0260V, Amersham). Reactions were allowed to proceed to completion at room temperature for 1 hour followed by centrifugation of the plate for 5 min. About 40 &#956;L of the aqueous solution was aspirated. Plates were sealed and the [33P] 2MeS-ADP bound to the P2Y1 receptor membranes that were bound to the SPA bead were determined in a Gen 4 LEADSEEKER (Amersham) Image Reader.
177	1	cAMP Assay	A 384-well drug plate was prepared to contain 6 test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA cells expressing a target PG receptor subtype (EP2 or EP4) were suspended in a stimulation buffer (HBSS, 0.1% BSA, 0.5 mM IBMX and 5 mM HEPES, pH 7.4) in a density of 104 cells/5 microliters. The reaction was initiated by mixing 5 microliters drug dilutions with 5 microliters of HEK-EBNA cells in a well, carried out for 30 min at room temperature, and followed by the addition of 5 microliters anti-cAMP acceptor beads in the control buffer with Tween-20 (25 mM NaCl, 0.03% Tween-20, 5 mM HEPES, pH 7.4). After 30 min in the dark at room temperature, the mixtures were incubated with 15 microliters biotinylated-cAMP/streptavidin donor beads in Lysis/Detection buffer (0.1% BSA, 0.3% Tween-20 and 5 mM HEPES, pH 7.4) for 45 min at room temperature. Fluorescence changes were read using a Fusion-alpha microplate reader.
178	1	Radioligand Binding Assay	human or rat P2X7-1321N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds. 
178	2	Ca2+ Flux Assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). 
179	1	Inhibition Assay	Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-117 as PI3 kinase inhibitors can be demonstrated as follows:The kinase reaction is performed in a final volume of 50 &#956;l per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 &#956;M and 6 &#956;g/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase 6.p110&#948;.The components of the assay are added per well as follows 10 &#956;l test compound in 5% DMSO per well in columns 2-1.        Total activity is determined by addition 10 &#956;l of 5% vol/vol DMSO in the first 4 wells of column 1 and the last 4 wells of column 12.        The background is determined by addition of 10 &#956;M control compound to the last 4 wells of column 1 and the first 4 wells of column 12.        2 mL Assay mix are prepared per plate     1.912 mL of HEPES assay buffer            8.33 &#956;l of 3 mM stock of ATP giving a final concentration of 5 &#956;M per well            1 &#956;l of [33P]ATP on the activity date giving 0.05 &#956;Ci per well            30 &#956;l of 1 mg/mL PI stock giving a final concentration of 6 &#956;g/mL per well            5 &#956;l of 1 M stock MgCl2 giving a final concentration of 1 mM per well        20 &#956;l of the assay mix are added per well.        2 mL Enzyme mix are prepared per plate (x* &#956;l PI3 kinase p110(3 in 2 mL of kinase buffer). The Enzyme mix is kept on ice during addition to the assay plates.        20 &#956;l &#145;Enzyme mix&#146; are added/well to start the reaction.        The plate is then incubated at room temperature for 90 minutes.        The reaction is terminated by the addition of 50 &#956;l WGA-SPA bead (wheat germ agglutinin-coated Scintillation Proximity Assay beads) suspension per well.        The assay plate is sealed using TopSeal-S (heat seal for polystyrene microplates, PerkinElmer LAS [Deutschland] GmbH, Rodgau, Germany) and incubated at room temperature for at least 60 minutes.        The assay plate is then centrifuged at 1500 rpm for 2 minutes using the Jouan bench top centrifuge (Jouan Inc., Nantes, France).        The assay plate is counted using a Packard TopCount, each well being counted for 20 seconds.            The volume of enzyme is dependent on the enzymatic activity of the batch in use.In a more preferred assay, the kinase reaction is performed in a final volume of 10 &#956;l per well of a low volume non-binding CORNING, 384 well black plate (Cat. No. #3676). The final concentrations of ATP and phosphatidyl inositol (PI) in the assay are 1 &#956;M and 10 &#956;g/mL, respectively. The reaction is started by the addition of ATP.The components of the assay are added per well as follows:50 nl test compounds in 90% DMSO per well, in columns 1-20, 8 concentrations (&#8531; and 1/3.33 serial dilution step) in single.        Low control: 50 nl of 90% DMSO in half the wells of columns 23-24 (0.45% in final).        High control: 50 nl of reference compound (e.g. compound of Example 7 in WO 2006/122806) in the other half of columns 23-24 (2.5 &#956;M in final).        Standard: 50 nl of reference compound as just mentioned diluted as the test compounds in columns 21-22.        20 mL buffer are prepared per assay     200 &#956;l of 1M TRIS HCl pH7.5 (10 mM in final)            60 &#956;l of 1M MgCl2 (3 mM in final)            500 &#956;l of 2M NaCl (50 mM in final)            100 &#956;l of 10% CHAPS (0.05% in final)            200 &#956;l of 100 mM DTT (1 mM in final)            18.94 mL of nanopure water        10 mL PI are prepared per assay     200 &#956;l of 1 mg/mL 1-alpha-Phosphatidylinositol (Liver Bovine, Avanti Polar Lipids Cat. No. 840042C MW=909.12) prepared in 3% OctylGlucoside (10 &#956;g/mL in final)            9.8 mL of buffer        10 mL ATP are prepared per assay.
180	3	Inhibition of Recombinant PDE10A	The DNA of PDE10A1 (AB 020593, 2340 bp) was synthesized and cloned into the vector pCR4. TOPO (Entelechon GmbH, Regensburg, Germany). The gene was than inserted into a baculovirus vector, ligated with the baculovirus DNA. The protein was expressed in SF21-cells and isolated from these cells.The cells were harvested and collected by centrifugation at 500 g. The cells were resuspended in 50 mM Tris-HCl/1 mM EDTA/250 mM Sucrose buffer, pH=7.4 (Sigma, Deisenhofen, Germany; Merck, Darmstadt, Germany) and lysed by sonification of the cells (three times for 15 seconds, Labsonic U, Fa. Braun, Degersheim, Switzerland, level high). The cytosolic PDE10A was obtained by a centrifugation at 48,000 g for 1 h in the supernatant and stored at &#8722;70° C. PDE activity was determined in a one step procedure in microtiter plates. The reaction mixture of 100 &#956;l contained 50 mM Tris-HCl/5 mM MgCl2 buffer (pH=7.4, Sigma, Deisenhofen, Germany; Merck, Darmstadt, Germany) 0.1 &#956;M [3H]-cAMP (PerkinElmer, Shelton, USA) and the enzyme. Non-specific enzyme activity was determined without the enzyme.
180	2	Inhibition of Recombinant PDE2A	The DNA encoding PDE2A (NM002599) was cloned and the gene was inserted in the baculovirus and the enzyme-protein expressed in SF21-cells. The enzyme was isolated from these cells by harvesting the cells by an centrifugation at 200 g to collect the cells. The cells were resuspended in 50 mM Tris-HCl/5 mM MgCl2 buffer (pH=7.4)(Sigma, Deisenhofen, Germany; Merck, Darmstadt, Germany) and lysed by a sonication of the cells (three times for 15 seconds, Labsonic U, Fa. Braun, Degersheim, Switzerland, level high). The membrane fraction of PDE2A was obtained by a centrifugation at 48 000 g for 1 h, resuspended in buffer and stored at &#8722;70° C.PDE2A activity was determined in a one step procedure in microtiterplates. The reaction mixture of 100 &#956;l contained 50 mM Tris-HCl/5 mM MgCl2 buffer (pH=7.4)(Sigma, Deisenhofen, Germany; Merck, Darmstadt, Germany), 0.5 OA [3H]-cAMP (PerkinElmer, Shelton, USA), 1000 nM cGMP and the enzyme. Non-specific enzyme activity was tested in the absence of cGMP. The reaction was initiated by addition of the substrate solution and was carried out at 37° C. for 30 minutes. Enzymatic activity then was stopped by addition of 25 &#956;l SPA-beads (PerkinElmer, Shelton, USA). One hour later the mixture was measured in a liquid scintillation counter for microtiterplates (Microbeta Trilux). For pipetting of the incubation mixture we routinely use the robot Biomek (Fa. Beckman).
181	1	Caliper Assay	Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Phosphoacceptor substrate peptide concentration used was 1 &#956;M for all assays and Staurosporine was used as the reference compound for all assays. Specifics of each assay are as described below:CDK2/CyclinA: Enzyme concentration: 0.2 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/CyclinE: Enzyme concentration: 0.28 nM; ATP concentration: 100 &#956;M; Incubation time: 1 hr.CDK4/CyclinD1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 10 hr.
13119	1	Human AXL Kinase Assay	Example A-1: Human Axl (residues H473-A894 with Q764R, 161 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 M KKSRGDYMTMQIG (SEQ ID NO:1), 10 mM magnesium acetate and 10 μM [γ-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 μL was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).Example A-2: Human AXL (residues 464-885; CarnaBio, 1 ng/well) was also incubated with enzymatic buffer (Cisbio) supplemented with 5 mM MgCl2, 1 mM DTT, and Supplemental Enzymatic Buffer (SEB; Cisbio). The mixture was added to the pre-plated compounds. The reaction was initiated upon addition of ATP at Km (1.0 μM). The reaction was incubated at room temperature for 50 min and stopped upon the addition of SA-XL665 and TK-antibody both diluted in EDTA-containing kinase detection buffer (Cisbio). The kinase activity was calculated as stated above and the IC50 values were reported.
13119	2	Human Mer Kinase Assay	Example C-1: Human Mer (residues R557-E882 with H628Q and R794A, 0.7 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 mM NaCl, 250 μM GGMEDIYFEFMGGKKK (SEQ ID NO:2), 10 mM magnesium acetate, and 10 μM [γ-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 μL was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).Example C-2: Human MER (residues 528-999; CarnaBio, 1 ng/well) was also incubated with enzymatic buffer (Cisbio) supplemented with 5 mM MgCl2 and 1 mM DTT. The mixture was added to the pre-plated compounds. The reaction was initiated upon addition of ATP at Km (40 μM). The reaction was incubated at room temperature for 60 min and stopped upon the addition of SA-XL665 and TK-antibody both diluted in EDTA-containing kinase detection buffer (Cisbio). The kinase activity was calculated as stated above and the IC50 values were reported.
13119	3	Human Met Kinase Assay	Example D-1: Human Met (residues R974-S1390 with A1209G and V1290L, 3.4 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 M KKKGQEEEYVFIE (SEQ ID NO:3), 1 mM sodium orthovanadate, 5 mM sodium-6-glycerophosphate, 10 mM magnesium acetate, and 10 μM [γ-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 μL was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).Example D-2: Human MET (residues 956-1390; CarnaBio, 0.1 ng/well) was also incubated with enzymatic buffer (Cisbio) supplemented with 5 mM MgCl2, 1 mM DTT and 1 mM MnCl2. The mixture was added to the pre-plated compounds. The reaction was initiated upon addition of ATP at Km (3.0 μM). The reaction was incubated at room temperature for 40 min and stopped upon the addition of SA-XL665 and TK-antibody both diluted in EDTA-containing kinase detection buffer (Cisbio). The kinase activity was calculated as stated above and the IC50 values were reported.
13119	4	Human KDR Kinase Assay	Example B-1: Human KDR (residues K790-V1356, 55 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM magnesium acetate, and 10 μM [γ-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 μL was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).Example B-2: Human KDR (residues 790-1356; CarnaBio, 0.1 ng/well) was also incubated with enzymatic buffer (Cisbio) supplemented with 5 mM MgCl2, 1 mM MnCl2, and 1 mM DTT. The mixture was added to the pre-plated compounds. The reaction was initiated upon addition of ATP at Km (4.0 μM). The reaction was incubated at room temperature for 40 min and stopped upon the addition of SA-XL665 and TK-antibody both diluted in EDTA-containing kinase detection buffer (Cisbio). The kinase activity was calculated as stated above and the IC50 values were reported.
185	1	Choline Release Assasy	The purpose of this assay is to detect autotaxin inhibition using a choline release assay.Test compound (10 mM stocks in 100% DMSO) is serially diluted in 100% DMSO resulting in 10 concentrations of 100× inhibitor in half area 96 well plates (Corning 3992). Each of these 10 wells in 100% DMSO is diluted 1:33.33 in assay buffer in round bottom 96 well plates (Fisher 12565502) resulting in 3× concentrations in well containing 3% DMSO. The assay buffer is 50 mM Tris pH8.0, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% TRITON X-100 (Sigma T9284) and 0.01% fatty acid free bovine serum albumin (Sigma A8806). A 20 &#956;l aliquot of each 3× test compound is then added to black flat bottom 96 well plates (Corning 3991) in singlicate. A 20 &#956;l aliquot per well of 3× recombinant human autotaxin, (Echelon, E-4000) (full length human autotaxin with a C-terminal His tag transfected into 293E cells and purified via nickel chelate and size exclusion chromatography) is then added to every well except for the no enzyme control wells. A 20 &#956;l aliquot per well of assay buffer is added to the no enzyme control wells. A 20 &#956;l aliquot of a 3× cocktail containing choline oxidase (Sigma C5896), horseradish peroxidase (Sigma P8125), amplex ultrared (Invitrogen A36006) and the autotaxin substrate lysophosphatidylcholine (LPC) 16:0 (Avanti Polar Lipids 855675P) is added to each well while avoiding exposure to light. The final concentrations in the well of choline oxidase, horseradish peroxidase, amplex ultrared and LPC 16:0 are 0.4 units/ml, 4 units/ml, 40 &#956;M and 30 &#956;M respectively. The plate is then sealed with aluminum foil seals and incubated at 37° C. for 1 hour in a Labline Imperial III incubator. During this incubation, LPC is cleaved by autotaxin resulting in Lysophosphatidic Acid (LPA) 16:0 and choline. The choline that is released is oxidized by choline oxidase resulting in betaine and hydrogen peroxide. The hydrogen peroxide reacts with the horseradish peroxide and amplex ultrared to form the fluorescent molecule resorufin. 
182	1	Enzymatic Assay	Compounds were diluted from DMSO stocks into 1× buffer (20 mM MOPS, PH 7.4, 5 mM MgCl2, 0.5 mM MnCl2, 100 uM Sodium Orthovanadate, 0.01% Triton X-100, 1 mM DTT). A typical reaction assay contained 0.01 nanomoles MEK1 kinase, 0.01 nanomoles ATP, 10 nanograms substrate. The screening assay essentially comprised four additions. 2 ul of diluted compounds were dispensed to 384 well white assay plates. 6 ul of kinase-substrate cocktail was then added to each well. 2 ul 5×ATP was subsequently added to each well to start the reaction. A top seal was applied and the plate was incubated at 22 degree avoiding light for 60 minutes. Finally, 10 ul of the Kinase Glo plus reagent was added to each well to stop the reaction. Incubated at room temperature and avoid light for ten minutes. The top seal was removed and the plate was counted by the EnVision 2104 multi labeled plate reader (PerkinElmer) with a standard luminescent program. 
183	1	Active Human ERK2 (hERK2) Activity Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was determined from a 10 point (1:3 serial dilution, 3 .mu.M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 .mu.L) was dispensed, followed by the addition of 15 .mu.L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 .mu.L kinase buffer containing 2.45 .mu.M ERK2 IMAP substrate peptides and 75 .mu.M ATP. The final reaction in each well of 25 .mu.L consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 .mu.M ATP. Phosphorylation reactions were allowed to proceed for 60 minutes and were immediately quenched by the addition of 60 .mu.L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer). 
184	1	Human Complement Factor D Assay	Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration.
186	1	BACE1 Inhibiting Activity	48.5 &mu;L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&epsilon;-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Costar), and after addition of 0.5 &mu;l of the compound of the present invention (DMSO solution) and 1 &mu;l of Recombinant human BACE1 (R&D Systems), the reaction mixture was incubated at 30&deg; C. for 3.5 hours. The substratexpeptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE1 were adjusted to 18 nmol/L and 7.4 nmol/L, respectively, and the reaction was performed in sodium acetate buffer (50 mmol/L sodium acetate, pH 5.0, 0.008% Triton X-100). After the incubation for reaction, 50 &mu;l of 8.0 &mu;g/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer (150 mmol/L K2HPO4-KH2PO4, pH 7.0, 0.008% Triton X-100, 0.8 mol/L KF) was added to each well and left stand at 30&deg; C. for 45 minutes. After then, fluorescence intensity was measured (excitation wavelength: 320 nm, measuring wavelength: 620 nm and 665 nm) using Wallac 1420 multilabel counter (Perkin Elmer life sciences).
187	1	Homogeneous Time-Resolved Fluorescence (HTRF) assay	In vitro B-RAF Kinase Assay. To determine iIn vitro activities of recombinant B-RAF enzyme, a Homogeneous Time-Resolved Fluorescence (HTRF) assay was performed. Inactive (unphosphorylated) 6HIS-Mek1 was utilized as a protein substrate, the phosphorylated product was detected with Eu3+ cryptate-labeled anti-phosphotyrosine PT66 antibody (Anti-Phospho Mek1/2(Ser217/221)-Cryptate, Cisbio International). Meanwhile, an Anti-6HIS-d2 antibody (Anti-6HIS-d2, Cisbio international) was added to detection system. When the two antibodies were close enough, energy, transfer was happened between Eu and d2, then activities of enzyme was determine by measuring fluorescence intensity (320 nm excitation, 665 nm emission).IC50 determination. To evaluate iIn vitro potency of compounds against B-RAF enzyme, the IC50 values of compounds of this invention were determined. Compounds were 3-fold serially diluted with 100% DMSO from 1 mM, then 4 ml of compounds were transferred to 96 ml of reaction buffer (50 mM HEPES pH7.4, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 0.005% BAS, 2 mM DTT). After mixed, 2.5 ml of 4×compound and 5 ml of 2×B-RAF of was added to a 384-well plate (OptiPlate-384, PerkinElmer), centrifuged and incubated for 5 min. Then 2.5 ml of 4×ATP (2 mM) was added to the reaction system and initiated the reaction. The assay plate was incubated in an incubator for 60 min at 23° C., then the reaction was terminated by adding 5 ml of detection solution containing Eu3+ cryptate-labeled anti-phosphotyrosine PT66 antibody, and 5 ml of Anti-6HIS-d2 antibody. 
188	1	Inhibition Assay	Human HEK293 cells over-expressing human IK are grown in culture medium (DMEM supplemented with 10% foetal bovine serum), in polystyrene culture flasks (175 mm2) in a humidified atmosphere of 5% CO2 in air, at 37° C. Cell confluence should be 80-90% on day of plating. Cells are rinsed with 4 mL of PBS (phosphate buffered saline) and incubated 2 min with 1 mL of Trypsin-EDTA. After addition of 25 mL of culture medium cells are re-suspended by trituration with a 25 mL pipette.The cells are seeded at a density of 3×106 cells/mL (25 &#956;L/well) in black-walled, clear bottom, 384-well plates pre-treated with 0.01 g/L poly-D-lysin (20 &#956;L/well for &#8807;30 min). Plated cells were allowed to proliferate for 24 h before loading with dye.BTC-AM (50 mg, Invitrogen) is added 25.5 &#956;l DMSO. The BTC-AM stock solution (2 mM) is diluted to a final concentration of 2 &#956;M in Cl+ free assay buffer (in mM: 140 Na+-gluconate, 2.5 K+-gluconate, 6 Ca2+-gluconate, 1 Mg2+ gluconate, 5 glucose, 10 HEPES, pH 7.3) containing 2 &#956;M ouabain, 2 mM amaranth and 1 mM tartrazine.The culture medium is aspirated from the wells, and 25 &#956;l of the BTC-AM loading solution are added to each well. The cells are incubated at 37° C. for 60 min.After the loading period, the Tl+-sensitive BTC fluorescence signal is measured over time using a FLIPR.
189	1	FLIPR Ca2+ Flux Assay	TBDIn a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. 
190	1	Bruton&#39;s Tyrosine Kinase (BTK) Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate. Biotinylated product is bound streptavidin sepharose beads. All bound, radiolabeled products are detected by scintillation counter.Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 &#956;m hydrophilic PVDF filter plates (Millipore). Concentrations reported here are final assay concentrations: 10-100 &#956;M compounds in DMSO (Burdick and Jackson), 5-10 nM BTK enzyme (His-tagged, full-length), 30 &#956;M peptide substrate (Biotin-Aca-AAAEEIYGEI-NH2), 100 &#956;M ATP (Sigma), 8 mM imidazole (Sigma, pH 7.2), 8 mM glycerol-2-phosphate (Sigma), 200 &#956;M EGTA (Roche Diagnostics), 1 mM MnCl2 (Sigma), 20 mM MgCl2 (Sigma), 0.1 mg/ml BSA (Sigma), 2 mM DTT (Sigma), 1 &#956;Ci 33P ATP (Amersham), 20% streptavidin sepharose beads (Amersham), 50 mM EDTA (Gibco), 2 M NaCl (Gibco), 2 M NaCl w/1% phosphoric acid (Gibco), microscint-20 (Perkin Elmer).
192	1	Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
193	1	Radioligand Binding Assay	The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the receptor ligand binding activity of the disclosed compounds is given below. Competition binding studies can be performed with the allosteric antagonist [.sup.3H]methoxyPEPy to determine if the disclosed compounds interact with the well-characterized allosteric binding site for the mGluR5 NAM MPEP.The allosteric antagonist MPEP analog [.sup.3H]methoxyPEPy is used to evaluate the ability of test compounds to interact with the MPEP site on mGluR5 (Cosford et al., Bioorg. Med. Chem. Lett. 2003, 13, 351). Membranes are prepared from rat mGluR5 HEK293 cells (Rodriguez et al., Mol. Pharmacol. 2005, 68, 1793). Compounds are diluted in assay buffer (50 mM Tris/0.9% NaCl, pH 7.4) to a 5.times. stock and 100 .mu.L test compound is added to each well of a 96 deep-well assay plate. 300 .mu.L aliquots of membranes diluted in assay buffer (40 .mu.g/well) are added to each well. 100 .mu.L [.sup.3H]methoxyPEPy (2 nM final concentration) is added and the reaction is incubated at room temperature for 1 hour with shaking. After the incubation period, the membrane-bound ligand is separated from free ligand by filtration through glass-fiber 96 well filter plates (Unifilter-96, GF/B, PerkinElmer Life and Analytical Sciences, Boston, Mass.). The contents of each well are transferred simultaneously to the filter plate and washed 3-4 times with assay buffer using a cell harvester (Brandel Cell Harvester, Brandel Inc., Gaithersburg, Md.). 40 .mu.L scintillation fluid is added to each well and the membrane-bound radioactivity determined by scintillation counting (TopCount, PerkinElmer Life and Analytical Sciences). Non-specific binding is estimated using 5 .mu.M MPEP. Concentration response curves were generated using a four parameter logistical equation in GraphPad Prism (GraphPad Software, Inc., La Jolla, Calif.). 
194	1	Binding Assay	Stable and optimal assay conditions were determined by cross-titrating GST-AKAP18&#948; and biotinylated PLB using 10 &#956;g/ml glutathione acceptor beads and 10 &#956;g/ml streptavidin donor beads in an AlphaScreen assay. The excitation wavelength was 680 nm, with the emission wavelength being 520-560 nm. Signal intensity in each well was registered and the optimal concentration to use was chosen to be the concentration prior to the peak of the signal.
195	1	PDE9 Inhibition Assay	A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20 25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the XLfit extension to EXCEL.In the context of the present invention the assay was performed in 60 uL assay buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20) containing enough PDE9 to convert 20-25% of 10 nM 3H-cAMP and varying amounts of inhibitors. Following a 1 hour incubation the reactions were terminated by addition of 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads were allowed to settle for one hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter.
197	1	Scintillation Proximity Assay (SPA), Protocol 1	Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on Histone H3 of a mononucleosome, purified from HeLa cells. Mononucleosomes were captured on SPA beads and the resulting signal is read on a ViewLux plate reader.Part A. Compound Preparation 1. Prepare 10 mM stock of compounds from solid in 100% DMSO. 2. Set up an 11-point serial dilution (1:3 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 3. Dispense 100 nL of compound from the dilution plate into reaction plates (Grenier Bio-One, 384-well, Cat#784075). Part B. Reagent Preparation Prepare the following solutions: 1. 50 mM Tris-HCl, pH 8: Per 1 L of base buffer, combine 1 M Tris-HCl, pH 8 (50 mL) and distilled water (950 mL). 2. 1× Assay Buffer: Per 10 mL of 1× Assay Buffer, combine 50 mM Tris-HCl, pH 8 (9958 uL), 1 M MgCl2 (20 uL), 2 M DTT (20 uL), and 10% Tween-20 (2 uL) to provide a final concentration of 50 mM Tris-HCl, pH 8, 2 mM MgCl2, 4 mM DTT, 0.002% Tween-20. 3. 2× Enzyme Solution: Per 10 mL of 2× Enzyme Solution, combine 1× Assay Buffer and PRC2 complex to provide a final enzyme concentration of 10 nM. 4. SPA Bead Suspension: Per 1 mL of SPA Bead Suspension, combine PS-PEI coated LEADSeeker beads (40 mg) and H2O (1 mL) to provide a final concentration of 40 mg/mL. 5. 2× Substrate Solution: Per 10 mL of 2× Substrate Solution, combine 1× Assay Buffer (9728.55 uL), 800 ug/mL mononucleosomes (125 uL), 1 mM cold SAM (4 uL), and 7.02 uM 3H-SAM (142.45 uL; 0.55 mCi/mL) to provide a final concentration of 5 ug/mL nucleosomes, 0.2 uM cold SAM, and 0.05 uM 3H-SAM. 6. 2.67× Quench/Bead Mixture: Per 10 mL of 2.67× Quench/Bead Mixture, combine ddH2O (9358 uL), 10 mM cold SAM (267 uL), 40 mg/mL Bead Suspension (375 uL) to provide a final concentration of 100 uM cold SAM and 0.5 mg/mL SPA beads. Part C. Assay Reaction in 384-well Grenier Bio-One Plates Compound Addition 1. Dispense 100 nL/well of 100× Compound to test wells (as noted above). 2. Dispense 100 nL/well of 100% DMSO to columns 6 & 18 for high and low controls, respectively. Assay 1. Dispense 5 uL/well of 1× Assay Buffer to column 18 (low control reactions). 2. Dispense 5 uL/well of 2× Enzyme Solution to columns 1-17, 19-24. 3. Spin assay plates for 1 min at 500 rpm. 4. Stack the assay plates, covering the top plate. 5. Incubate the compound/DMSO with the enzyme for 30 min at room temperature. 6. Dispense 5 uL/well of 2× Substrate Solution to columns 1-24. 7. Spin assay plates for 1 min at 500 rpm. 8. Stack the assay plates, covering the top plate. 9. Incubate the assay plates at room temperature for 1 hour. Quench/Bead Addition 1. Dispense 5 uL/well of the 3× Quench/Bead Mixture to columns 1-24. 2. Seal the top of each assay plate with adhesive TopSeal. 3. Spin assay plates for 1 min at 500 rpm. 4. Equilibrate the plates for >20 min. Read plates 1. Read the assay plates on the Viewlux Plate Reader utilizing the 613 nm emission filter with a 300 s read time. Reagent addition can be done manually or with automated liquid handler. *The final DMSO concentration in this assay is 1%. *The positive control is in column 6; negative control is in column 18. *Final starting concentration of compounds is 100 &#956;M.
197	2	Scintillation Proximity Assay (SPA), Protocol 2	Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on a biotinylated, unmethylated peptide substrate derived from histone H3. The peptides were captured on streptavidin-coated SPA beads and the resulting signal was read on a ViewLux plate reader.Part A. Compound Preparation 4. Prepare 10 mM stock of compounds from solid in 100% DMSO. 5. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 6. Dispense 10 nL of compound from the dilution plate into reaction plates (Corning, 384-well polystyrene NBS, Cat#3673). Part B. Reagent Preparation Prepare the following solutions: 7. 1× Base Buffer, 50 mM Tris-HCl, pH 8, 2 mM MgCl2: Per 1 L of base buffer, combine 1 M Tris-HCl, pH 8 (50 mL), 1 M MgCl2 (2 mL), and distilled water (948 mL). 8. 1× Assay Buffer: Per 10 mL of 1× Assay Buffer, combine 1× Base Buffer (9.96 mL), 1 M DTT (40 uL), and 10% Tween-20 (1 uL) to provide a final concentration of 50 mM Tris-HCl, pH 8, 2 mM MgCl2, 4 mM DTT, 0.001% Tween-20. 9. 2× Enzyme Solution: Per 10 mL of 2× Enzyme Solution, combine 1× Assay Buffer (9.99 mL) and 3.24 uM EZH2 5 member complex (6.17 uL) to provide a final enzyme concentration of 1 nM.10. SPA Bead Solution: Per 1 mL of SPA Bead Solution, combine Streptavidin coated SPA beads (PerkinElmer, Cat# RPNQ0261, 40 mg) and 1× Assay Buffer (1 mL) to provide a working concentration of 40 mg/mL. 11. 2× Substrate Solution: Per 10 mL of 2× Substrate Solution, combine 40 mg/mL SPA Bead Solution (375 uL), 1 mM biotinylated histone H3K27 peptide (200 uL), 12.5 uM 3H-SAM (240 uL; 1 mCi/mL), 1 mM cold SAM (57 uL), and 1× Assay Buffer (9.13 mL) to provide a final concentration of 0.75 mg/mL SPA Bead Solution, 10 uM biotinylated histone H3K27 peptide, 0.15 uM 3H-SAM (12 uCi/mL 3H-SAM), and 2.85 uM cold SAM. 12. 2.67× Quench Solution: Per 10 mL of 2.67× Quench Solution, combine 1× Assay Buffer (9.73 mL) and 10 mM cold SAM (267 uL) to provide a final concentration of 100 uM cold SAM. Part C. Assay Reaction in 384-well Grenier Bio-One Plates Compound Addition 3. Stamp 10 nL/well of 1000× Compound to test wells (as noted above). 4. Stamp 10 nL/well of 100% DMSO to columns 6 & 18 (high and low controls, respectively). Assay 10. Dispense 5 uL/well of 1× Assay Buffer to column 18 (low control reactions). 11. Dispense 5 uL/well of 2× Substrate Solution to columns 1-24 (note: substrate solution should be mixed to ensure homogeneous bead suspension before dispensing into matrix reservoir). 12. Dispense 5 uL/well of 2× Enzyme Solution to columns 1-17, 19 24. 13. Incubate the reaction for 60 min at room temperature. Quench 5. Dispense 6 uL/well of the 2.67× Quench Solution to columns 1-24. 6. Seal assay plates and spin for 1 min at 500 rpm. 7. Dark adapt plates in the ViewLux instrument for 15-60 min. Read plates 2. Read the assay plates on the Viewlux Plate Reader utilizing the 613 nm emission filter or clear filter (300 s exposure). Reagent addition can be done manually or with automated liquid handler. Results
198	1	Inhibition of Histone Demethylase Activity	Inhibition of LSD activity can be determined by a variety of both in vitro and in vivo methods known to one skilled in the art. For example, enzymatic activity can be determined in in vitro enzyme assay systems. In various embodiments, the enzymatic activity of LSD1 can be determined in a spectrophometric assay. Briefly, the assay is based on the multistep enzymatic reaction in which LSD1 first produces H2O2 during the demethylation of lysine 4 on a peptide corresponding to the first 21 amino acids of the N-terminal tail of histone H3. In the presence of horseradish peroxidase, the H2O2 produced reacts with ADHP to produce the highly fluorescent compound resorufin that can be analyzed with an excitation wavelength of 530-540 nm and an emission wavelength of 585-595 nm. The assay requires a source of LSD1 enzyme, either purified from natural sources (e.g. a tissue or cultured cells), isolated as a recombinantly expressed protein, or as a unpurified protein in whole cell extracts. In one embodiment, the disclosed compounds exhibit inhibition of LSD protein activity with an IC50 in an EMSA assay of less than about 300 mM, less than about 100 mM, less than about 50 mM, less than about 10 mM, less than about 1 mM, less than about 500 nM, or of less than about 100 nM. In another embodiment, the disclosed compounds exhibit inhibition of LSD1 protein activity with an IC50 in an EMSA assay of less than about 300 mM, less than about 100 mM, less than about 50 mM, less than about 10 mM, less than about 1 mM, less than about 500 nM, or of less than about 100 nM. In another embodiment, the disclosed compounds exhibit inhibition of LSD2 protein activity with an IC50 in an EMSA assay of less than about 300 mM, less than about 100 mM, less than about 50 mM, less than about 10 mM, less than about 1 mM, less than about 500 nM, or of less than about 100 nM.
199	1	MKNK1 Kinase High ATP Assay	TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) was used, which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
200	1	Radioligand binding assay	human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2009, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds
200	2	Ca2+ flux assay	1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat) or 600 &#956;M (mouse)). The fluorescence change was measured 180 seconds after adding the agonist.
204	1	KDR (VEGFR-2) Kinase Assay	The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expressed in baculovirus-infected insect cells (Sf9) and purified by affinity chromatography (from ProQinase GmbH, Freiburg, Germany). The substrate used for the kinase reaction was the biotinylated peptide biotin-Ahx-DFGLARDMYDKEYYSVG (C terminus in acid form) (from Biosynthan GmbH, Berlin-Buch, Germany). For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO was pipetted into a black &#147;low-volume 384 well&#148; microtitre plate (from Greiner Bio-One, Frickenhausen, Germany), then 2 &#956;l of a solution of KDR in assay buffer [50 mM HEPES/HCl pH 7.0, 25 mM MgCl2, 5 mM MnCl2, 1.0 mM dithiothreitol, 0.1 mM sodium orthovanadate, 0.001% (v/v) Nonidet-P40 (from Sigma)] was added and the mixture was incubated for 15 min, in order to enable preliminary binding of the substance to the enzyme before the kinase reaction. Then the kinase reaction was started by adding 3 &#956;l of a solution of ATP (16.7 &#956;M, final concentration in assay volume 5 &#956;l is 10 &#956;M) and substrate (0.835 &#956;M, final concentration in assay volume 5 &#956;l is 0.5 &#956;M) in assay buffer and the resulting mixture was incubated at 22° C. for 45 min. The KDR concentration was adjusted with respect to the respective activity of the enzyme in such a way that the assay proceeded in the linear range. The reaction was stopped by adding 5 &#956;l of a solution of HTRF detection reagents [0.1 &#956;M streptavidin-XL665 (from Cisbio Bioassays, Codolet, France) and 2 nM PT66-Eu chelate, a europium chelate-labelled anti-phosphotyrosine antibody (from PerkinElmer), in aqueous EDTA solution (125 mM EDTA, 0.2% (w/v) BSA in 50 mM HEPES/HCl pH 7.0)]. The resulting mixture was incubated at 22° C. for 1 h to allow formation of a complex of the biotinylated phosphorylated substrate and the detection reagents. Subsequently, the amount of the phosphorylated substrate was evaluated by measuring the resonance energy transfer from the PT66-Eu chelate to the streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in an HTRF instrument [e.g. PHERAstar (from BMG Labtechnologies, Offenburg, Germany) or ViewLux (from PerkinElmer)]. The ratio of the emissions at 665 nm and 620 nm was taken as a measure of the amount of phosphorylated substrate. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components except enzyme=100% inhibition). Typically, the test substances were tested on the same microtitre plate at 11 different concentrations in the range from 20 &#956;M to 0.073 nM (20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 11 nM, 3.1 nM, 0.89 nM, 0.25 nM and 0.073 nM) in twin values for each concentration. The dilution series were prepared by serial dilutions prior to the assay at the level of the 100-fold concentrated solution (i.e. 2 mM to 7.3 nM in 100% DMSO), although it was possible for the exact concentrations to be different depending on the pipettors used in each case. The IC50 values were calculated by a 4-parameter fit.
204	2	PDGFRbeta Kinase Assay	The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFR (amino acids R561-L1106), expressed in baculovirus-infected insect cells (Sf9) and purified by affinity chromatography (from ProQinase GmbH, Freiburg, Germany). The substrate used for the kinase reaction was biotinylated poly-Glu,Tyr (4:1) copolymer (from Cisbio Bioassays, Codolet, France). For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO was pipetted into a black low-volume 384 well microtitre plate (from Greiner Bio-One, Frickenhausen, Germany), then 2 ul of a solution of PDGFR in assay buffer [50 mM HEPES/NaOH pH 7.5, 10 mM MgCl2, 2.5 mM dithiothreitol, 0.01% (v/v) Triton-X100 (from Sigma)] was added and the mixture was incubated for 15 min, in order to enable preliminary binding of the substance to the enzyme before the kinase reaction. Then the kinase reaction was started by adding 3 ul of a solution of ATP (16.7 uM, final concentration in assay volume 5 ul is 10 uM) and substrate (2.27 ug/ml, final concentration in assay volume 5 ul is 1.36 ug/ml, 30 nM) in assay buffer and the resulting mixture was incubated at 22&deg; C. for 25 min. The PDGFR concentration was adjusted with respect to the respective activity of the enzyme in such a way that the assay proceeded in the linear range (typical enzyme concentration 125 pg/ul). The reaction was stopped by adding 5 ul of a solution of HTRF detection reagents [0.2 uM streptavidin-XL665 (from Cisbio Bioassays, Codolet, France) and 1.4 nM PT66-Eu chelate, a europium chelate-labelled anti-phosphotyrosine antibody (from PerkinElmer), in aqueous EDTA solution (100 mM EDTA, 0.2% (w/v) BSA in 50 mM HEPES/NaOH pH 7.5)]. The resulting mixture was incubated at 22&deg; C. for 1 h to allow formation of a complex of the biotinylated phosphorylated substrate and the detection reagents. Subsequently, the amount of the phosphorylated substrate was evaluated by measuring the resonance energy transfer from the PT66-Eu chelate to the streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in an HTRF instrument [e.g. PHERAstar (from BMG Labtechnologies, Offenburg, Germany) or ViewLux (from PerkinElmer)]. The ratio of the emissions at 665 nm and 620 nm was taken as a measure of the amount of phosphorylated substrate. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components except enzyme=100% inhibition). Typically, the test substances were tested on the same microtitre plate at 11 different concentrations in the range from 20 uM to 0.073 nM (20 uM, 5.7 uM, 1.6 uM, 0.47 uM, 0.13 uM, 38 nM, 11 nM, 3.1 nM, 0.89 nM, 0.25 nM and 0.073 nM) in twin values for each concentration. The dilution series were prepared by serial dilutions prior to the assay at the level of the 100-fold concentrated solution (i.e. 2 mM to 7.3 nM in 100% DMSO), although it was possible for the exact concentrations to be different depending on the pipettors used in each case.
205	1	TrkA ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 LM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
206	1	BACE1 HTRF FRET Assay	Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide. A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence. Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE1.
206	2	BACE-2 Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 LM for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation.
207	1	 PAR4 FLIPR assay	The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization using FDSS6000 (Hamamatsu Photonics, Japan) by fluo-4. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. prior to experiment in 384 well, Poly-D-Lysine coated, black, clear bottom plates (Greiner Bio-One, Monroe, N.C.). Cells were plated at 20,000 cells/well in 20 &#956;l growth medium and incubated at 37° C. with 5% CO2 overnight. At time of assay, media was replaced with 40 &#956;l 1× Hank&#39;s Buffered Saline Solution (HBSS) (with 10 mM HEPES) and 20 &#956;l test compound also diluted in 1×HBSS buffer was added at various concentrations and 0.67% DMSO final concentration on the FDSS for agonist measurement. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;l of agonist peptide for antagonist measurement on the FDSS. The agonist peptide H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 for PAR4 antagonist screen or SFFLRR for PAR1 counter screen were routinely tested to ensure a response at EC50 in the assay ( 2.5 &#956;M for H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 and 600 nM for SFFLRR).
207	2	Platelet Aggregation (PRP)  Assay 	The ability of the compounds of the current invention to inhibit platelet aggregation induced by gamma-thrombin was tested in a 96-well microplate aggregation assay format. Briefly, PRP or washed platelet suspension (100 &#956;l) was pre-incubated for 5 minutes at room temperature with varying concentrations of compounds. Aggregation was initiated by 10-50 nM gamma thrombin (Haematologic Technologies, Essex Junction, Vt.), which was titrated daily to achieve 80% platelet aggregation. Refludan at 1 U/mL (Berlex, Montville, N.J.) was added to the gamma thrombin sample to prevent PAR1 activation induced by residual alpha-thrombin contamination. The plate was then placed into a 37° C. Molecular Devices (Sunnyvale, Calif.) SPECTRAMAX Plus Plate Reader. The plate was mixed for 10 seconds before the first read and 50 seconds between each read for up to 15 minutes at 405 nM. Data was collected with SOFTMAX 4.71 software. The plate also included an untreated control sample which served as ODmax, while buffer containing no platelets was the ODmin. Platelet aggregation was determined by subtracting the ODmax from the ODmin for the 100% aggregation value. In experimental samples, the observed transmission was subtracted from the minimum value and then compared to the 100% aggregation value to determine the percentage aggregation. IC50 values are determined using Excel Fit software. The aggregation assays were also employed to test the selectivity of the compound against other platelet receptors by using SFFLRR for PAR1, collagen (Chrono-Log, Havertown, Pa.) for collagen receptors, ADP for P2Y1 and P2Y12 and U46619 (Cayman Chemical, Ann Arbor, Mich.) for thromboxane receptors.
208	1	Radiochemistry Enzymatic Assay	A human VAP-1 enzyme (SSAO) (reference: J Exp Med. 1998 Jul. 6; 188(1): 17 to 27) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. After homogenizing CHO (Chinese Hamster Ovary) cells stably expressing a human VAP-1 enzyme (SSAO) in a 50 mM phosphate buffer containing 1% NP-40, an enzyme suspension was obtained by taking the supernatant obtained by centrifugation. The enzyme suspension was preincubated with the compound of the present invention in a 96-well microplate at room temperature for 30 minutes. Subsequently, the enzyme suspension was incubated with 14C-benzylamine (a final concentration of 1×10&#8722;5 mol/L) to a final volume of 50 mL at 37° C. for 1 hour. The enzymatic reaction was stopped by the addition of 2 mol/L (50 pt) of citric acid. The oxidation products were extracted directly into a 2004, toluene scintillator, and the radioactivity was measured with a scintillation spectrometer.
208	2	Radiochemistry Enzymatic Assay	A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. After homogenizing CHO (Chinese Hamster Ovary) cells stably expressing a rat VAP-1 enzyme (SSAO) in a 50 mM phosphate buffer containing 1% NP-40, an enzyme suspension was obtained by taking the supernatant obtained by centrifugation. The enzyme suspension was preincubated with the compound of the present invention in a 96-well microplate at room temperature for 30 minutes. Subsequently, the enzyme suspension was incubated with 14C-benzylamine (a final concentration of 1×10&#8722;5 mol/L) to a final volume of 50 mL at 37° C. for 1 hour. The enzymatic reaction was stopped by the addition of 2 mol/L (50 &#956;L) of citric acid. The oxidation products were extracted directly in a 200 &#956;L toluene scintillator, and the radioactivity was measured with a scintillation spectrometer.
209	1	Kinase Assay	Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (ethylenediamine tetraacetic acid), EGFR (human epidermal growth factor receptor), HER2 (human epidermal growth factor receptor 2), EGFR T790M (human epidermal growth factor receptor T790M mutation), Peptide FAM-P22 (fluorescein-labeled peptide 22), ATP (adenosine triphosphate), DMSO (dimethyl sulfoxide), 96-well plate, 384-well plate, staurosporine, Coating Reagent #3 and so on, all of which are commercially available.1. Preparation of Kinase Base Buffer and Stop Buffer1× Kinase buffer without MnCl2 was prepared from 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, and 2 mM DTT. Stop buffer was prepared from 100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, and 50 mM EDTA.2. Preparation of the Compounds for Testing KinasesPreparation of the compounds was performed according to the following procedures: (1) the compound to be tested was diluted to the concentration of 500 &#956;M with 100% DMSO which is 50× of the final desired highest inhibitor concentration, and 100 &#956;L of the diluted compound solution was transferred to a well in a 96-well plate; (2) the compound was gradiently diluted by transferring 20 &#956;L original solution to 60 &#956;L of 100% DMSO in the next well and so forth for a total of 10 concentrations; (3) DMSO (100 &#956;L, 100%) was added to two empty wells as a no-compound control and a no-enzyme control in the same 96-well plate, and the plate was marked as source plate; (4) intermediate plate was prepared by transferring 10 &#956;L of each compound from source plate to a new 96-well plate as the intermediate plate, and to each well of the intermediate plate was added 90 &#956;L of 1× Kinase base buffer, then the intermediate plate was mixed for 10 min on shaker; and (5) assay plate was prepared by transferring 5 &#956;L of each well from the 96-well intermediate plate to a 384-well plate in duplicates.3. Kinase ReactionKinase reaction was performed according to the following procedures: (1) 2.5× kinase solution was prepared by adding kinase into 1× kinase base buffer; (2) 2.5× peptide solution was prepared by adding FAM-labeled peptide and ATP into 1× kinase base buffer; (3) 2.5× kinase solution (10 &#956;L) was added to each well of the 384-well assay plate containing 5 &#956;L of compound in 10% DMSO and then the assay plate was incubated at room temperature for 10 minutes; (4) 2.5× peptide solution (10 &#956;L) was added to each well of the 384-well assay plate; and (5) stop buffer (25 &#956;L) was added to stop the kinase reaction after incubation at 28° C. for a specified period of time.4. Data MeasurementMultifunctional microplate reader (BMG LABTECH, PHER Astar FS) with a 320 nM excitation wavelength was used to read and collected the data of by absorbing light at 665 nM and 620 nM, which was converted from the rate of 665 signal/620 signal.
210	1	In Vitro Assay	The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombinant human ER&#945; and ER&#946; proteins were purified from transfected Sf9-cells. The in vitro assays involved the use of either ER&#945; or ER&#946; proteins and [3H]E2, at a fixed concentration of 0.5 nM, as the labeled ligand. Recombinant human ER&#945; or ER&#946; proteins were dissolved in binding buffer (10 mM Tris-HCL, pH 7.5, 10% glycerol, 1 mM DTT, 1 mg/ml BSA) and duplicate aliquots were then incubated with [3H]E2 at a final concentration of 0.5 nM, together with a vehicle control (0.4% DMSO), or the same amount of vehicle containing increasing concentrations of unlabeled steroid ligands as competitors. After incubation for 2 h at 25° C., the unbound ligands were removed and the amounts of [3H]E2 bound to either ER&#945; or ER&#946; proteins were measured. The average amounts of [3H]E2 bound to either ER&#945; or ER&#946; proteins at each concentration of competitor were used to make inhibition curves. IC50 values were subsequently determined by a non-linear, least squares regression analysis. Inhibition constants (Ki) were calculated using the equation of Cheng and Prusoff (Cheng et al., 1973, Biochem. Pharmacol., 22, 3099-3108), using the measured IC50 of the tested compounds, the concentration of radioligand employed in the assay, and the historical values for the Kd of the radioligand, which were established as 0.2 nM and 0.13 nM for ER&#945; and ER&#946;, respectively.
211	1	Competitive Binding Assay	PPAR&gamma; binding is measured by a TR-FRET competitive binding assay using Invitrogen LanthaScreen TR-FRET PPAR&gamma; Competitive Binding Assay (Invitrogen #4894). This assay uses a terbium-labeled anti-GST antibody to label the GST tagged human PPAR&gamma; ligand binding domain (LBD). A fluorescent small molecule pan-PPAR ligand tracer binds to the LBD causing energy transfer from the antibody to the ligand resulting in a high TR-FRET ratio. Competition binding by PPAR&gamma; ligands displace the tracer from the LBD causing a lower FRET signal between the antibody and tracer. The TR-FRET ratio is determined by reading the fluorescence emission at 490 and 520 nm using a Synergy2 plate reader (BioTek).
212	1	In Vitro PI3K Alpha Binding Assay	N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa Fluor 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag antibody (Cat. No PV6089) and LanthaScreen Eu-Streptavidin (Cat. No. PV5899) were purchased from Life Technologies. The 1× Kinase Buffer A consists of 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, and 0.01% (v/v) Brij-35 (Sigma Cat. No. B4184-100ML).A 4-fold serial dilution of each compound to be tested was prepared in DMSO (master dilution) in a 96-well polystyrene plate (Falcon Cat. No. 353072, flat bottom) with the highest concentration at 1000 &#956;M and the lowest at 0.004 &#956;M. The master dilution series were diluted further 33.3-fold into Kinase Buffer A by transferring 5 &#956;l of each concentration of diluted compound to 162 &#956;l Kinase Buffer A in a new 96-well plate resulting to a 3-fold serially compound dilution. Based on a Tracer 314 titration experiment a working concentration of 20 nM was chosen. Therefore a 60 nM Tracer 314 solution in Kinase Buffer A was prepared resulting in a 3-fold concentrated solution. A 3-fold concentrated kinase/antibody solution at 15 nM kinase, 6 nM antibody and 6 nM Eu-Streptavidin was prepared in Kinase Buffer A. Five &#956;l of each 3× serially diluted compound were dispensed in a 384-well plate in duplicate. Then to each well 5 &#956;l of 3× kinase/antibody mixture was added followed by the addition of 5 &#956;l 3× Tracer 314 solution. After 1 h incubation at rt, time-resolved FRET was measured with a Synergy 4 multi-mode microplate reader (Biotek Instruments) using the following settings: 100 &#956;s delay before data collection, 200 &#956;s time for data collection, 10 measurements per data point. Emission filter: 665 nm/8 nm with sensitivity set to 163 and 620 nm/10 nm with sensitivity set to 135; Excitation filter: 340 nm/30 nm; Dichroic mirror 400 nm.
213	1	Fluorescence Assay	50 &#956;l substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 &#956;M, were placed in black microtitre plates. 20 &#956;l of assay buffer (final concentrations 50 mM Tris HCl pH 7.8, 50 mM NaCl, 1% DMSO) was pipetted in. The reaction was started by adding 30 &#956;l of solubilised Caco-2 protein (final concentration 0.14 &#956;g of protein per well). The test substances to be investigated were typically added prediluted in 20 &#956;l, and the volume of assay buffer was then reduced accordingly. The reaction was carried out at ambient temperature, incubating for 60 minutes. Then the fluorescence was measured in a Victor 1420 Multilabel Counter, the excitation wavelength being 405 nm and the emission wavelength being 535 nm. Blank readings (corresponding to 0% activity) were obtained in mixtures without any Caco-2 protein (volume replaced by assay buffer), control values (corresponding to 100% activity) were obtained in mixtures with no substance added. The potency of the test substances in question, expressed as IC50 values, was calculated from dosage/activity curves consisting of 11 measuring points in each case. 
214	1	BACE1 Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]-N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N#R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 ug Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 ul. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 uM (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively. For each test compound, a IC50 value (the concentration mediating 50% inhibition of the specific binding of the radioligand) was determined from concentration-response curve and used to calculate the Ki from the equation Ki=IC50/(1+L/Kd), where L and Kd are the final concentration of the radioligand used in the assay and the dissociation constant of the radioligand, respectively.
215	1	HDAC4 Biochemical	The Class I HDAC activity of Class IIa Histone Deacetylase (HDAC) inhibitors was quantified by measuring the cellular histone deacetylase enzymatic activity using the fluorogenic substrate, Boc-Lys(Ac)-AMC. This was performed according to the procedure in Example 17, using Boc-Lys(Ac)-AMC substrate in place of Boc-Lys(TFA)-AMC.
216	1	FLIPR Assay	The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the human CXCR3A (GenBank: AY242128) coupled to a G protein (Galpha(16)). Cells are plated the day prior to bioassay in F12 medium supplemented with 10% FBS and G418 and hygromycin antibiotics to maintain recombinant selection. At the day of bioassay, cells are washed and dye loaded for one hour with Fluo-4-AM (Invitrogen) in Hanks Balanced Salt Solution (Invitrogen), buffered with 20 mM Hepes at pH 7.4 and sodium bicarbonate (0.038%), containing 5 mM probenecid. This buffer, but lacking the dye and containing probenecid at a concentration of 2.5 mM, is also used for washing steps (wash buffer); or lacking both dye and probenecid but supplemented with 0.1% BSA for compound dilution steps (dilution buffer). Cells are washed free of excess dye and 60 microliter of wash buffer is added. Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in dilution buffer to concentrations required for inhibition dose response curves. After a 10 minute incubation period at 37° C., 10 microliters of each compound dilution are transferred from a compound plate to the plate containing the recombinant cells in the FLIPR instrument according to the manufacturer&#39;s instructions. Following basal readings, 10 microliter CXCL10 agonist at a concentration of 20 nM (from Peprotech) is added, again using the FLIPR instrument. Changes in fluorescence are monitored before and after addition of the test compounds. Emission peak values above base level after CXCL10 addition are exported after base line subtraction.
216	2	Receptor Internalization Assay (RIA)	Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations required for inhibition dose response curves. Diluted compounds are then mixed with an equal volume of CXCL10 (Peprotech) diluted in PBS. Anticoagulated venous human whole blood is added to the mixture, which is then incubated in a CO2 incubator at 37° C. to allow for ligand mediated receptor internalization (final CXCL10 concentration is 9 nM). After 30 min, the blood is mixed with fluorescently labeled CXCR3 and CD4 specific antibodies (Becton Dickinson) and incubated on ice for 10 minutes. Samples are then mixed with BD FACS Lysing Solution (Becton Dickinson) in order to eliminate red blood cells. After washing the cells with PBS containing 0.5% BSA, the samples are then analyzed in a flow cytometer (FACS Canto II, Becton Dickinson). For data analysis using FACSDiva software (Becton Dickinson), the mean fluorescence corresponding to CXCR3 cell surface expression was determined on CD4 positive cells. The calculated IC50 values may fluctuate depending on the daily assay performance. Fluctuations of this kind are known to those skilled in the art. In the case where IC50 values have been determined several times for the same compound, mean values are given.
217	1	 mTOR Kinase Activity Assay	The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit supplied by Invitrogen was used to detect the inhibition of the activity of the mTOR protease. The principle of the assay was as follows: mTOR kinase, fluorescein-labeled substrate and ATP were mixed, and after the reaction, EDTA and terbium-labeled first antibody were added. During the chemical reaction process of the mTOR kinase, the antibody recognized the phosphorylated and fluorescein-labeled substrate, and then the time-resolved fluorescence resonance energy transfer (TR-FRET) effect was enhanced. TR-FRET effect was calculated as the ratio of signals from the acceptor fluorescein to signals from the donor terbium. The amount of the antibody bound to the tracer was directly proportional to the amount of the phosphorylated substrate after the reaction. In this way, the kinase activity can be detected. In this assay, the substrate of the mTOR kinase was green fluorescent protein-coupled 4E binding protein 1 (GFP-4EBP1).
217	5	PI3K-alpha Enzyme Activity Assay	PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) was used to detect the inhibition effect of the compounds on the activity of PI3K enzyme. The adenosine diphosphate produced during the whole enzymic reactions was quantified.
218	1	Pim-1 Kinase Inhibition Assay	One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro Pim-1 kinase reaction. The Kinase-Glo Assay Kit (Promega, Inc., Madison, Wis.) allows this. The amount of ATP remaining in the solution after the kinase reaction serves as a substrate for the luciferase to catalyze luciferin to oxyluciferin plus one photon of light. Thus, the luminescent signal read by the Luminoskan Ascent Instrument (Thermo Electron Corp., Milford, Mass.) correlates with the amount of ATP present after the kinase reaction and inversely correlates with the amount of kinase activity. This assay is efficient at determining the IC50 values of kinase inhibitors against the Pim-1 kinase. These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1× kinase buffer, 10 uM ATP, 100 uM Pim-1-specific substrate, 50 ng of active Pim-1 enzyme, and water in serial dilutions ranging from micromolar to nanomolar concentrations. This solution is incubated at 30 degrees Celsius at 360 rpm for two hours. Following the incubation, 50 ul of Kinase-Glo reagent is added to each well, including all positive and negative control wells, and incubated at room temperature for 15 minutes. The plate is then read by the Luminoskan Ascent instrument and the results displayed with the Ascent Software version 2.6. The IC50 values can then be calculated for each inhibitor tested.
218	2	hERG Activity Assays	Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China).
219	1	Mps-1 Kinase Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and peptide substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 &#956;l assay volume). The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-J gesheim, Germany].The resulting mixture was incubated 1 h at 22° C. to allow the binding of the phosphorylated peptide to the anti-phospho(Ser/Thr)-Europium-antibody. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Europium-labelled anti-phospho(Ser/Thr) antibody to the Streptavidin-XLent. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a Viewlux TR-FRET reader (PerkinElmer LAS, Rodgau-J gesheim, Germany). The &#147;blank-corrected normalized ratio&#148; (a Viewlux specific readout, similar to the traditional ratio of the emissions at 665 nm and at 622 nm, in which blank and Eu-donor crosstalk are subtracted from the 665 nm signal before the ratio is calculated) was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). 
222	2	In Vivo Inhibition of Beta-Secretase	Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following administration of a test compound sample. Animals used in this invention can be wild type, transgenic, or gene knockout animals. For example, the Tg2576 mouse model, prepared and conducted as described in Hsiao et al., 1996, Science 274, 99-102, and other non-transgenic or gene knockout animals are useful to analyze in vivo inhibition of Amyloid beta peptide (Abeta) production in the presence of inhibitory test compounds. Generally, 2 to 18 month old Tg2576 mice, gene knockout mice or non-transgenic animals are administered test compounds formulated in vehicles, such as cyclodextran, phosphate buffers, hydroxypropyl methylcellulose or other suitable vehicles. One to twenty-four hours following the administration of compound, animals are sacrificed, and brains as well as cerebrospinal fluid (CSF) and plasma are removed for analysis of A-beta levels and drug or test compound concentrations (Dovey et al., 2001, Journal of Neurochemistry, 76, 173-181) Beginning at time 0, animals are administered by oral gavage, or other means of delivery such as intravenous injection, an inhibitory test compound of up to 100 mg/kg in a standard, conventional formulation, such as 2% hydroxypropyl methylcellulose, 1% Tween80. A separate group of animals receive 2% hydroxypropyl methylcellulose, 1% Tween80 alone, containing no test compound, and serve as a vehicle-control group. At the end of the test period, animals are sacrificed and brain tissues, plasma or cerebrospinal fluid are collected. Brains are either homogenized in 10 volumes (w/v) of 0.2% diethylamine (DEA) in 50 mM NaCl (Best et al., 2005, Journal of Pharmacology and Experimental Therapeutics, 313, 902-908), or in 10 volumes of 0.5% TritonX-100 in Tris-buffered saline (pH at about 7.6). Homogenates are centrifuged at 355,000 g, 4° C. for 30 minutes. CSF or brain supernatants are then analyzed for the presence of A-beta peptide by specific sandwich ELISA assays based on ECL (Electrochemiluminescence) technology. 
222	1	In Vitro Enzymatic	Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for Cat D) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The Cat D substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (Cat D excitation 500 nm and emission 580 nm).Alternatively, a Cat D assay may also be run according to the procedure described in the article, Characterization of new fluorgenic substrates for the rapid and sensitive assay of cathepsin E and cathepsin D, J. Biochem., 125:1137, 1999.
223	1	Binding Inhibition Assay  (4% HSA)	The coding sequence of human DP2 was introduced into the human Leukemic cell line K562 by electroporation and stable clones expressing DP2 were obtained by limiting dilution followed by cell surface staining with a rat monoclonal antibody specific for human DP2. Membranes were prepared from one of these DP2 expressing clones and used to determine the ability of compounds of the present invention to inhibit binding of prostaglandin D2 (PGD2) to its receptor DP2 in the presence of one or more of the following serum protein concentrations, 4% HSA, by the following procedure. Membranes (1.25 &#956;g/well for 4% HSA) were mixed with 3H-labeled PGD2 and various concentrations of test compounds in 150 &#956;L of binding buffer (50 mM Tris-HCl, pH 7.4, 40 mM MgCl2, 0.1% bovine serum albumin, 0.1% NaN3) in 96-well U-bottom polypropylene plates. After incubation for 60 minutes at room temperature, the assay was transferred to a filtration plate (#MAFB; Millipore Corporation, Bedford, Mass.), and washed three times with binding buffer. Radioactivity was measured by a scintillation counter (TopCount; PerkinElmer Life Sciences, Boston, Mass.). Nonspecific binding was determined by incubations in the presence of 1 &#956;M unlabeled PGD2 or 5 &#956;M of a known DP2 antagonist. EC50 values for inhibition of binding were determined for each compound tested from the inflexion point of a standard 4-parameter logistical curve fitted to the values obtained. Compounds of the invention had EC50 values less than 5 micromolar in one or more of the binding assays.
223	2	Binding Inhibition Assay  (1% HSA)	The coding sequence of human DP2 was introduced into the human Leukemic cell line K562 by electroporation and stable clones expressing DP2 were obtained by limiting dilution followed by cell surface staining with a rat monoclonal antibody specific for human DP2. Membranes were prepared from one of these DP2 expressing clones and used to determine the ability of compounds of the present invention to inhibit binding of prostaglandin D2 (PGD2) to its receptor DP2 in the presence of one or more of the following serum protein concentrations, 1% HSA, by the following procedure. Membranes (1.25 &#956;g/well for 1% HSA) were mixed with 3H-labeled PGD2 and various concentrations of test compounds in 150 &#956;L of binding buffer (50 mM Tris-HCl, pH 7.4, 40 mM MgCl2, 0.1% bovine serum albumin, 0.1% NaN3) in 96-well U-bottom polypropylene plates. After incubation for 60 minutes at room temperature, the assay was transferred to a filtration plate (#MAFB; Millipore Corporation, Bedford, Mass.), and washed three times with binding buffer. Radioactivity was measured by a scintillation counter (TopCount; PerkinElmer Life Sciences, Boston, Mass.). Nonspecific binding was determined by incubations in the presence of 1 &#956;M unlabeled PGD2 or 5 &#956;M of a known DP2 antagonist. EC50 values for inhibition of binding were determined for each compound tested from the inflexion point of a standard 4-parameter logistical curve fitted to the values obtained. Compounds of the invention had EC50 values less than 5 micromolar in one or more of the binding assays.
223	3	Binding Inhibition Assay  (0.1% BSA)	The coding sequence of human DP2 was introduced into the human Leukemic cell line K562 by electroporation and stable clones expressing DP2 were obtained by limiting dilution followed by cell surface staining with a rat monoclonal antibody specific for human DP2. Membranes were prepared from one of these DP2 expressing clones and used to determine the ability of compounds of the present invention to inhibit binding of prostaglandin D2 (PGD2) to its receptor DP2 in the presence of one or more of the following serum protein concentrations, 0.1% BSA, by the following procedure. Membranes (1.25 &#956;g/well for ).1% BSA) were mixed with 3H-labeled PGD2 and various concentrations of test compounds in 150 &#956;L of binding buffer (50 mM Tris-HCl, pH 7.4, 40 mM MgCl2, 0.1% bovine serum albumin, 0.1% NaN3) in 96-well U-bottom polypropylene plates. After incubation for 60 minutes at room temperature, the assay was transferred to a filtration plate (#MAFB; Millipore Corporation, Bedford, Mass.), and washed three times with binding buffer. Radioactivity was measured by a scintillation counter (TopCount; PerkinElmer Life Sciences, Boston, Mass.). Nonspecific binding was determined by incubations in the presence of 1 &#956;M unlabeled PGD2 or 5 &#956;M of a known DP2 antagonist. EC50 values for inhibition of binding were determined for each compound tested from the inflexion point of a standard 4-parameter logistical curve fitted to the values obtained. Compounds of the invention had EC50 values less than 5 micromolar in one or more of the binding assays.
224	1	Inhibition of Cytochrome P450 Enzyme	Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 &#956;M by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 &#956;M. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 &#956;M by serial dilution with DMSO:CH3CN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO: CH3CN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 &#956;M. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v.Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared in phosphate buffer at a concentration of 5 mM. Separate stock solutions of each substrate were prepared in DMSO:MeCN (50:50 v/v), mixed, and diluted in phosphate buffer to obtain a single solution containing each substrate at five times its experimentally determined Km concentration. The percent of organic solvent attributable to substrate mixture in the final reaction mixture was 1% v/v.Substrate solution and microsome suspension were combined in a 1:1 volume ratio, mixed, and distributed to reaction wells of a PCR plate. Individual test compound or combined inhibitor solutions at each concentration were added to the wells and mixed by repetitive aspirate-dispense cycles. For active controls, blank phosphate buffer solution was added in place of test compound solution. Reaction mixtures were allowed to equilibrate at 37° C. for approximately two minutes before adding NADPH solution to initiate reaction, followed by pipette mixing of reaction mixture. Ten minutes after addition of NADPH, the reaction mixtures were quenched with cold acetonitrile. 
225	1	In Vitro Assay	NCEs were screened using in vitro JAK (1, 2 and 3) kinase assay on ADP Glo platform (Promega). Fixed amount of recombinant purified human JAK (25 ng of JAK1 and 10 ng of JAK2 and JAK3 per reaction, from Life Technologies Ltd) were incubated with increasing concentration of NCEs in 1× kinase reaction buffer (40 mM Tris-Cl, pH7.5, 20 mM MgCl2, 0.1 mg/ml BSA and 50 &#956;M DTT). Enzymatic reaction was initiated by adding a substrate cocktail containing 50 &#956;M of ATP (final concentration) and 5 &#956;g for JAK1 and 2.5 &#956;g for JAK2 and JAK3 of polyGln4Tyr1 (Signal Chem) in total 25 &#956;l of reaction in 96 well plate. The reaction was incubated at room temperature for 1 hr.After 1 hr of incubation equal volume (25 &#956;l per reaction) of ADP Glo was added and incubated at room temperature for 40 min.This was followed by addition of kinase detection reagent (50 &#956;l per reaction) and incubation at room temperature for 30 min. Finally, plate was read for luminescence at an integration time of 500 millisecond per well.
226	1	Biological Assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing any recombinant protein were lysed and the lysate was added to the purified ROR&#947;-LBD at 0.25 &#956;l lysate (from 10,000 SF9 cells)/nM purified protein. The mixture was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT) to obtain ROR&#947;-LBD final concentration of 3 nM in 384-well assay plate.Compounds to be tested were injected to the assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, CA).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) (SEQ ID NO:2) was prepared in assay buffer and added to each well (100 nM final concentration). A solution of Europium tagged anti-HIS antibody (1.25 nM final concentration) and APC conjugated streptavidin (8 nM final concentration) were also added to each well.The final assay mixture was incubated overnight at 4° C., and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
227	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
228	1	HIV cell culture assay	MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media supplemented with 10% heat inactivated fetal bovine serum, 100 &#956;g/mL penicillin G and up to 100 units/mL streptomycin. The 293T cells were propagated in DMEM media supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/mL penicillin G and 100 &#956;g/mL streptomycin. The proviral DNA clone of NL4-3 was obtained from the NIH AIDS Research and Reference Reagent Program. A recombinant NL4-3 virus, in which a section of the nef gene from NL4-3 was replaced with the Renilla luciferase gene, was used as a reference virus. In addition, residue Gag P373 was converted to P373S. Briefly, the recombinant virus was prepared by transfection of the altered proviral clone of NL4-3. Transfections were performed in 293T cells using LipofectAMINE PLUS from Invitrogen (Carlsbad, Calif.), according to manufacturer&#39;s instruction. The virus was titered in MT-2 cells using luciferase enzyme activity as a marker. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.), with modifications to the manufacturer&#39;s protocol. The diluted Passive Lysis solution was pre-mixed with the re-suspended Luciferase Assay Reagent and the re-suspended Stop & Glo Substrate (2:1:1 ratio). Fifty (50) &#956;L of the mixture was added to each aspirated well on assay plates and luciferase activity was measured immediately on a Wallac TriLux (Perkin-Elmer). Antiviral activities of inhibitors toward the recombinant virus were quantified by measuring luciferase activity in cells infected for 4-5 days with NLRluc recombinants in the presence serial dilutions of the inhibitor.
229	1	FDSS Assay	To each well of the plate, 10 &#956;L test compound, control (MK801) or HHnoCa buffer was added to a final concentration of 10 &#956;M with a final concentration of DMSO of 0.1%. Following 10 minutes pre-incubation in the dark, plates are loaded onto the Hamamatsu FDSS 6000. After collecting baseline fluorescence images, 3 &#956;M glutamate, 3 glycine, and 1 mM Ca2+ in HHnoCa buffer is added to each well, and Ca2+ is recorded for 3 minutes. Data were processed by computing ratio of fluorescence at the end of data collection to baseline fluorescence to assess degree of Ca&#8242; influx inhibition relative to that observed in MK801.
230	1	TR-FRET Assay for BIR2 and BIR3	Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(c-biotin)-OH 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations. Percentage of inhibition at each concentration was determined to generate an IC50 value for each test compound.
231	1	Gal4-luciferase reporter assay	Briefly, the AR LBD is expressed as a fusion with the Gal4 transcription factor, which binds to the Gal4 reporter DNA. Upon activation with agonist hormone (DHT), the Gal-AR LBD binds to the Gal4 reporter gene, which in turn drives the transcription (and subsequently translation) of the reporter luciferase. The effect of antiandrogens (competitive antagonists) on this process is measured by quantifying the amount of luciferase activity after 24 hours in the presence of varying concentrations of antiandrogens. From these values, an IC50 for each antagonist is calculated. Experimentally, Hela cells were maintained in Dulbecco&#39;s modified Eagle&#39;s medium H-21 4.5 g/L glucose, containing 10% steroid depleted fetal bovine serum, 50 units/mL penicillin. For transfection, (1×105) cells per well were plated and incubated overnight. A mixture of typically 200 ng of Gal4 responsive luciferase reporter plasmid, 10 ng of &#946;-actin-&#946;-galactosidase internal control, 10 ng of GAL-AR LBD or empty vector control, and 10-100 ng of &#946;-catenin or empty vector control were mixed with 0.5 &#956;L of transfection reagent from BioRad and incubated for 20 min and then plated in 24 well plate triplicates. Cells were induced with 1 nM DHT and 0.1 nM-30 uM test compounds after 3 hr and then incubated over night. Cells were collected, and pellets were lysed in 100 &#956;L of 100 mM Tris-HCl (pH 7.5) containing 0.1% Triton X-100. Luciferase and &#946;-galactosidase activities were measured using the Luciferase Assay System (Promega) and Galacto-Light Plus-galactosidase reporter gene assay system (Applied Biosystems), according to the manufacturer&#39;s instructions.
231	2	mmTV-luciferase reporter assay	An AR-response element is contained within the mmTV sequence and drives the expression of luciferase. The effect of antiandrogens (competitive antagonists) on this process is measured by quantifying the amount of luciferase activity after 24 hours in the presence of varying concentrations of antiandrogens. From these values, an IC50 for each antagonist is calculated. Experimentally, HeLa cells were maintained in Dulbecco&#39;s modified Eagle&#39;s medium H-21 4.5 g/L glucose, containing 10% steroid depleted fetal bovine serum, 50 units/mL penicillin. For transfection, (1×105) cells per well were plated and incubated overnight. A mixture of typically 200 ng of mmTV responsive luciferase reporter plasmid, 10 ng of &#946;-actin-&#946;-galactosidase internal control, 10 ng of AR full length CMV expression vector or empty vector control, and 10-100 ng of &#946;-catenin or empty vector control were mixed with 0.5 &#956;L of transfection reagent from BioRad and incubated for 20 min and then plated in 24 well plate triplicates. Cells were induced with 1 nM DHT and 0.1 nM-30 uM compounds after 3 hrs and then incubated overnight. Cells were collected, and pellets were lysed in 100 &#956;L of 100 mM Tris-HCl (pH 7.5) containing 0.1% Triton X-100. Luciferase and &#946;-galactosidase activities were measured using the Luciferase Assay System (Promega) and Galacto-Light Plus-galactosidase reporter gene assay system (Applied Biosystems), according to the manufacturer&#39;s instructions.
232	1	HDAC4 Biochemical Assay	5 &#956;L of each solution of 1:20 diluted compound from above was transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the Janus (384-well MDT head from Perkin Elmer). Using a 16-channel Matrix multi-channel pipette, 35 &#956;L of the working solution of HDAC4 catalytic domain enzyme (0.2 &#956;g/mL in assay buffer) was transferred to the assay plate. The assay was then started by adding 10 &#956;L of 5× (50 &#956;M) substrate to the assay plates using either the Bravo, Janus or 16-channel Matrix multi-channel pipette. The assay plate was then shaken for two minutes on an orbital shaker at 900 rpm (rotations per minute). Next the plate was incubated for 15 minutes at 37° C. The reaction was stopped by adding 25 &#956;L of 3× (30 &#956;M) developer/stop solution to the assay plates using either the Bravo, Janus or a 16-channel Matrix multi-channel pipette. Assay plates were then shaken for 5 minutes on an orbital shaker at 1200 rpm. Next, the assay plates were incubated at 37° C. for 1 hour in a tissue culture incubator. Finally, the fluorescence was measured (Excitation: 355 nm, Emission: 460 nm) using PerkinElmer EnVision in top read mode.
234	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent resonance energy transfer binding assay (1), that measures the binding of a fluorescently labeled probe molecule to the bromodomain protein. The bromodomain protein, fluorescent probe molecule (either a biotinylated histone peptide or a fluorescently labeled small molecule), and dose-responsed test compound are incubated together to reach thermodynamic equilibrium. In the absence of a test compound, the bromodomain and small molecule are bound, resulting in a high fluorescent signal. In the presence of a sufficient concentration of inhibitor, this intercation is disrupted resulting in a loss of fluorescent resonance energy transfer.
235	1	In Vitro SYK Inhibition Assay	SYK kinase was purified as a full length protein in a baculovirus system near homogeneity. All kinase assays were performed with the Kinase TK (tyrosine kinase) HTRF (Homogeneous Time Resolved Fluorescence) assay developed by Cisbio international. These assays were carried out at room temperature in 96-wells half-area white plates in a final volume of 25 &#956;l of kinase buffer (10 mM MgCl2; 2 mM MnCl2; 50 mM Sodium-HEPES pH 7.8; BRIJ-35 0.01%, 1 &#956;M substrate) containing ATP at a concentration of at least twice the Km for each enzyme and an appropriate amount of recombinant enzyme to ensure a linear reaction rate. Reactions were initiated upon introduction of the enzyme and terminated with the addition of one reaction volume (25 &#956;l) of HTRF detection buffer. Plates were incubated for one hour at room temperature and the time resolved Fluorescence resonance energy transfer signal was measured in a Pherastar FS microplate reader (BMG Labtech). All data were the average of triplicate results with a standard deviation <10%.
236	1	LSD1 Inhibitory Activity	A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula. inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 The count of the LSD1 enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and LSD1 enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
236	2	MAO-A Inhibitory Activity	The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-A enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-A enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
236	3	MAO-B Inhibitory Activity	The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-B enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-B enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
237	1	 Inhibitory Activity Against Anaplastic Lymphoma Kinase (ALK)	A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme level, the following experiment was performed.In order to measure the inhibitory activity against the ALK, the compounds (2 &#956;l) prepared in Examples 1 to 106 were added to Greiner 96 well round bottom plates, respectively, and the ALK enzyme (1 &#956;l) and biotin-adhered peptide substrate (2 &#956;l) were mixed for 15 minutes, and then, the plates were cultured. An ATP solution (5 &#956;l) was added thereto, and then, a kinase reaction was performed at room temperature for 30 minutes. Streptavidin-adhered XL 665 (5 &#956;l) and europium (Eu3+)-adhered anti-phosphotyrosine antibody (5 &#956;l) dissolved in ethylenediaminetetraacetic acid solution was added to the reaction solution to stop the reaction, and cultured for 1 hour, and analyzed by using homogeneous time-resolved fluorescence (HTRF, Cisbio) The compounds were read in a wavelength range of 615/665 nm using a Wallac Envision 2103 instrument. The IC50 of each of the test compounds subjected to the above experiment was implemented using prism (version 5.01, GraphPad) software.Accordingly, IC50 of each of the compounds that reduce an ALK enzyme activity and a cell activity of L1196M (a non-small cell lung cancer cell including an ALK enzyme) to 50% was calculated, and as a result, it was found that all of the compounds prepared in Examples 1 to 106 according to the present invention had IC50 values of 0.01 &#956;M or less.
233	1	Activated ERK2 Kinase Assay	Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide peptide substrate ([Biotin]-AHA-K-R-E-L-V-E-P-L-T-P-S-G-E-A-P-N-Q-A-L-L-R- [NH2], the peptide sequence derived from EGF receptor: SEQ ID NO:1). The assay was carried out in 50 mM HEPES [pH 7.5], 5 mM MgCl2, 1 mM DTT, 0.01% Tween-20, 0.05% BSA using 0.25 nM ERK2, 200 nM ERKtide peptide and 35 &#956;M ATP (all concentrations are final in the reaction) in a total volume of 10.25 &#956;L. A 16-point, half-log dilution series of compounds at 41× final concentration was used for generating IC50 curves. Compound dilution series were prepared in 100% DMSO. ERK2 was preincubated with compounds for 30 minutes at ambient temperature. Reaction was initiated by addition of a substrate cocktail of ERKtide peptide and ATP and was allowed to proceed for 2-3 hours at ambient temperature. Reaction was terminated by addition of 10 &#956;L of a 2× stop buffer consisting of 100 mM Tris-Cl [pH 7.5], 25 mM EDTA, 0.01% Tween 20, 10 &#956;g/mL of AlphaScreen Protein A Acceptor Beads, 10 &#956;g/mL of Streptavidin Donor Beads (PerkinElmer, Waltham, Mass.), and 1.4 &#956;g/mL phospho-EGF Receptor (Thr669) antibody (Cat #3056, Cell Signaling Technology, Danvers, Mass.). Terminated reactions were read, after overnight incubation in the dark, on an EnVision Multilabel Plate Reader (PerkinElmer, Waltham, Mass.), with excitation and emission wavelengths set to 680 nm and 570 nm, respectively.
233	2	Inhibition Assay	Lists compounds that were tested for inhibition of RSK; the IC50 values are in micromolar units, and refer to inhibition of RSK1 and RSK2, respectively. Where multiple measurements were made, each value is reported.
238	1	Receptor Inhibition Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 384-well microtiter plate at a concentration of 3000 cells/well and cultured in the medium (7.0% fetal bovine serum, 7.0% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 1.37 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.5% BSA, and 0.04% Pluronic F-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 20 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FLIPR 384 (Molecular Device Co.). Measurement of fluorescence intensity by FLIPR 384 was started, and 20 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 150 nM ATP solution (25 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. 
239	1	HBsAg assay	HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution series of the compounds in DMSO. The final DMSO concentration in all wells was 1% and DMSO was used as no drug control. The HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2) was used to measure the levels of secreted HBV antigens semi-quantitatively. For the detection 50 &#956;L/well culture supernatant was used and HBsAg was quantified using HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2), 50 &#956;L of the supernatant was transferred to the CLIA assay plate and 50 &#956;L of enzyme conjugate reagent was added into each well. The plates were sealed and gently agitated for 1 hour at room temperature. The supernatant-enzyme-mixture was discarded and wells were washed 6 times with 300 &#956;L of PBS. The residual liquid was removed by plating the CLIA plate right side down on absorbent tissue paper. 25 &#956;L of substrates A and B were added to each well. Luminance was measured using a luminometer (Mithras LB 940 Multimode Microplate Reader) after 10 minutes incubation. Dose-response curves were generated and the IC50 value was extrapolated by using the E-WorkBook Suite (ID Business Solutions Ltd., Guildford, UK). The IC50 was defined as the compound concentration (or conditioned media log dilution) at which HBsAg secretion was reduced by 50% compared to the no drug control. The compounds of the present invention were tested for their activity to inhibit HBsAg as described herein. The Examples were tested in the above assay and found to have IC50 below 25.0 &#956;M. Particular compounds of formula I were found to have IC50 below 0.100 &#956;M. More Particular compounds of formula I were found to have IC50 below 0.010 &#956;M.
240	1	P2X7 Radioligand Binding Assay	human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds. The data are presented in Tables 1 and 2 under the headings: P2X7 human Ki (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5.
240	2	P2X7 FLIPR Assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of BzATP concentration using Origin 7 software.
242	1	P2X7 Radioligand Binding	human or rat P2X7-1321N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (K) of the test compounds. The data are presented in Tables 2 and 3 under the headings: P2X7 human K (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5.
242	2	P2X7 FLIPR Assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of BzATP concentration using Origin 7 software.
243	1	JAK1 Assay	As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the compounds or salts are about 10-fold more selective for JAK1 over JAK2. In some embodiments, the compounds or salts are about 10-fold, about 15-fold, or about 20-fold more selective for JAK1 over JAK2 as calculated by measuring IC50 at 1 mM ATP.
243	2	PI3K Delta Assay	 In some embodiments, the PI3K&#948; inhibitor is selective. By selective is meant that the compound binds to or inhibits a kinase with greater affinity or potency, respectively, compared to at least one other kinase. In some embodiments, the PI3K&#948; inhibitors are selective inhibitors of PI3K&#948; (e.g., over PI3K&#945;, PI3K&#946; and PI3K&#947;). In some embodiments, selectivity can be at least about 2-fold, 5-fold, 10-fold, at least about 20-fold, at least about 50-fold, at least about 100-fold, at least about 200-fold, at least about 500-fold or at least about 1000-fold. Selectivity can be measured by methods routine in the art. In some embodiments, selectivity can be tested at the Km ATP concentration of each enzyme. In some embodiments, the selectivity of compounds described herein can be determined by cellular assays associated with particular PI3K kinase activity.
243	3	TAM Kinase Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl (see Axl autophosphorylation assay above), or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
244	1	in vitro AMPK activation assays	The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by serial dilution steps in 100% DMSO. Dilution factor and number of dilution steps may vary. Typically 8 different concentrations by 1:5 dilutions were prepared, further dilutions of the substances were carried out with test buffer (20 mM Hepes (pH 7.0), 15 mM MgCl2, 0.025% BSA, 0.01% Brij 35) until a concentration was reached which was 5 times above the final test concentration. 2 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). Typically the start concentration for serial dilutions in the assay is 10 &#956;M. Typically AMPK was diluted to 25 &#956;g/ml in the test buffer and 4 &#956;l of this dilution were used in the kinase test (final concentration of AMPK is 10 &#956;g/ml in a total volume of 10 &#956;l for the kinase reaction). Kinase concentrations may vary depending on activity of the preparation batches. After 10 minutes incubation at room temperature 4 &#956;l of a mix containing 2.5 &#956;M substrate (H-His-Met-Arg-Ser-Ala-Met-Ser-Gly-Leu-His-Leu-Val-Lys-Arg-Arg-OH Trifluoroacetate salt/HMRSAMSGLHLVKRR from Bachem, Cat. No. H5938) and 75 &#956;M ATP in test buffer were added to each well and the incubation was continued for 60 minutes at room temperature. Positive controls are the reaction mixtures that contain no test substance; negative controls (blanks) are reaction mixtures that contain no AMPK enzyme. After 60 minutes, 10 &#956;l ADP-Glo solution (ADP-Glo Reagent #V912B Promega) (heated to room temperature) were added to each well and incubation was continued for 40 minutes. Then 20 &#956;l Kinase detection mix (Detection Buffer #V913B Promega; Kinase Detection Substrate #V914B Promega) were added and incubated for additional 40 minutes at room temperature. All incubations were done in sealed plates in the dark. The plates were read with an Envision Luminescence Reader (Perkin-Elmer).
245	1	Opioid Receptor Affinity	The compounds were tested for activity vs. opioid receptor subtypes Kappa (KOR), Delta (DOR) and Mu (MOR) at an initial concentration of 10 &#956;M each, through the NIMH Psychoactive Drug Screening Program (PDSP), operated by Dr. Bryan Roth and his colleagues in the Department of Pharmacology at the University of North Carolina (Chapel Hill, N.C.) through an agreement with the National Institute of Mental Health (NIMH). Human KOR, DOR and MOR were expressed in CHO cells for each assay.
246	1	Endonuclease Assay	The PAN domain has been shown to cleave ssRNA as well as ssDNA. To demonstrate the inhibition of endonuclease cleavage by PAN, a high throughput assay was developed (U.S. patent application Ser. No. 13/554,709). A TaqMan-like oligonucleotide was used containing a 6-carboxy-fluorescein (FAM) fluorophore at the 5&#8242;-end followed by 19 nucleotides and a minor groove binding non-fluorescent quencher (MGBNFQ, Applied Biosystems) at the 3&#8242;-end. When excited by light at a wavelength of 488 nm, MGBNFQ quenches the fluorescence of FAM via fluorescence resonance energy transfer. If the endonuclease cleaves the oligonucleotide, the quencher is no longer coupled to the fluorophore, and therefore, FAM fluoresces. This assay can be performed in a high-throughput (e.g. 96 well plate) format. The assay can be used to evaluate the inhibitory characteristics of compounds that are found to bind PAN and to screen libraries of drug-like compounds. The assay uses the probe 6FAM-TGGCAATATCAGCTCCACA-MGBNFQ. The assay can be performed in a 40 &#956;l reaction volume with 50 mM Tris pH 7.5, 50 mM NaCl, 1 mM MgSO4, 0.05 mM MnSO4, 1 mM DTT, 0.75 mM CHAPS, 50 nM probe, and 25 nM endonuclease. The reaction mixture is set up as a master mix with the buffer, probe, and protein on ice. The inhibitor is then added to a maximum DMSO concentration of 2.5% (v/v) and serial dilutions are made on ice. Varioskan Fluorometer (Thermo Scientific), set to an excitation of 488 nm and emission of 518 nm, is used to measure the fluorescence of the samples at 37 degrees Celsius. Fluorescence is measured at various time points (5, 120, and 240 minutes) during the 37 degrees Celsius incubation. Activity/inhibition is calculated based on the change in fluorescence over time using Prism Graphpad non-linear regression analysis.
247	1	Human TH17 Cytokine Inhibition ELISA Assay	Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Blood Center). PBMCs were isolated by density gradient centrifugation using Ficoll-Paque PLUS (GE Healthcare). Human CD4+ T cells were seeded into 96-well plates (5×104 cells/well) and activated with plate-bound anti-human (h)-CD3 antibody and soluble h-aCD28 (both at 1 ug/ml; eBioscience) and differentiated into TH17 cells with 20 ng/mL h-IL-6, 5 ng/mL h-TGF-&#946;1, 10 ng/mL h-IL-23 (eBioscience) and 10 ng/mL IL-1 &#946; (Miltenyi Biotec) in serum-free TexMACS Medium (Miltenyi Biotec) supplemented with 1% Penicillin/Streptomycin (Lonza) for 3 days. CD4+ T cells propagated under TH17-polarizing conditions were cultured in the presence or absence of various concentrations of compounds with a final concentration of 0.1% DMSO. Supernatants were collected and stored at &#8722;20° C. until assayed for IL-17A, IL-17F and IL-21 levels by Ready-Set-Go ELISA kits (eBioscience) as per manufacturer&#39;s instructions. Endpoint absorbance was read at 450 nm using a microplate reader (Perkin Elmer). The half maximal inhibitory concentrations (IC50) for representative compounds of the invention were determined by GraphPad Prism software.
248	1	PAR-1 FLIPR Assay	This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine and non-essential amino acids, incubated overnight at 37° C./5% CO2. Media was then removed from the cells, incubated with 33 ul of Calcium-5 dye in assay buffer (Hank&#39;s buffer containing 20 mM HEPES, 0.04% Chaps and 2.5 mM Probenecid) for 60 minutes at 37° C. 2 uL of varying concentrations of compound in 40% DMSO in assay buffer (final DMSO concentration is 2.3%) were then added to the cells and incubated at 25° C. for 30 minutes. The plates were added to the FLIPR Tetra, the device added 5 uL of PAR-1 selective receptor-activating peptide (sequence Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2, prepared in water) at a concentration equal to the effective concentration that achieved 80% activation of signaling on the day of the experiment. The range of peptide was from 1.5-3 &#956;M. The final volume was 40 uL/well, with 2% DMSO. The FLIPR was read at an excitation wavelength of 480 nm and an emission wavelength of 535 nm, and performed 60 scans over a 1-2 min reading time. The data were analyzed by taking the peak signal over a portion of the range of the 60 scans and dividing this signal by the minimum signal for that same range. The data were expressed as percent inhibition of the maximum divided by the minimum signal achieved at 80% activation produced by the PAR-1 activating peptide on the test day. The compounds of Examples 1-21 were tested in the assay described above and the data collected for these compounds is provided.
248	2	MK-499 Filter Binding Assay	Drug cardiac arrhythmia is an important safety concern for pharmaceutical development and health regulatory authorities. Blockade of heterologously-expressed human ether-a-go-go gene (hERG) channel prolongs the duration of the cardiac action potential leading to a long QT interval that can lead to sudden death (De Ponti, F.; et al Drug Safety 2002, 25, pp. 263-286). It is important to have compounds devoid of hERG channel activity as measured by an in vitro assay. Affinity of compounds for the hERG channel was evaluated in radioligand competition experiments using HEK293 cells that were stably transfected with the hERG channel and radiolabeled ligand, MK-499 a potent antiarrhythmic. This assay correlates well with QT prolongation in vivo (Jamieson, C.; et al., J. Med. Chem. 2006, 49, pp. 5029-5046). 25 &#956;L Target membranes (in assay buffer: 10 mM HEPES/NaOH, pH 7.4, 70 mM NaCl, 60 mM KCl, 2 mM MgCl2, 1 mM CaCl2) purified from a HEK293 cell line expressing the human Ether- -go-go Related Gene (hERG) ion channel, 1 &#956;L test compound in 10 mM DMSO and 25 &#956;L (6,000 cpm/well; in assay buffer) [35S]MK-0499 radioligand (Merck/Perkin Elmer) were added to the assay plate (Axygen; 384 Deep well Diamond Plate , clear). After incubation of the binding reaction at room temperature (RT) for 90 min 50 &#956;L of the assay were transferred to a Multiscreen HTS 384 FC filter plate (Millipore), which had been pre-wetted with 20 &#956;L 0.01% PEI/0.01% Triton X-100 for at least 30 min at RT. Then, 30 &#956;L wash buffer (10 mM HEPES/NaOH, pH 7.4, 130 mM NaCl, 2 mM MgCl2, 1 mM CaCl2) equilibrated to RT were added to each well of the assay plate and subsequently transferred to the filter plate. The assay mixture was aspirated through the filter plate using a Biotek ELx405 washer. The filter plate was washed twice with 100 &#956;l cold wash buffer per wash and well and then dried in a drying oven for at least 75 min at 55° C. Afterwards, the bottom of each filter plate was heat sealed with a solid foil seal, then 10 &#956;L of Microscint 0 (Perkin Elmer) were added to each well of the filter plate and finally, the top of each filter plate was sealed with a clear seal. The plates were stored for at least 20 min in a MicroBeta2 reader (Perkin Elmer) before they are counted (60 sec/well).
249	1	p38 MAPKalpaha Enzyme Inhibition 1	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;m; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 &#956;m, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	2	c-Src Enzyme Inhibition 1	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The c-Src enzyme (3000 ng/mL, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	3	Syk Enzyme Inhibition 1	The inhibitory activities of compounds of the invention against Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (2000 ng/mL, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 60 &#956;M ATP) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	4	GSK 3alpha Enzyme Inhibition 1	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels. The percentage inhibition of each reaction is calculated relative to non-inhibited control and the 50% inhibitory concentration (IC50 value) is then calculated from the concentration-response curve.
249	5	p38 MAPKalpaha Enzyme Inhibition 2	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (200 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;m; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 &#956;m, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	6	c-Src Enzyme Inhibition 2	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The c-Src enzyme (3000 ng/mL, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	7	Syk Enzyme Inhibition 2	The inhibitory activities of compounds of the invention against Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (2000 ng/mL, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 60 &#956;M ATP) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
249	8	GSK 3alpha Enzyme Inhibition 2	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 105 minutes at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels. The percentage inhibition of each reaction is calculated relative to non-inhibited control and the 50% inhibitory concentration (IC50 value) is then calculated from the concentration-response curve.
250	1	MGAT LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON 96-well polypropylene plates, in a total volume of 60 &#956;L of 50 mM potassium phosphate buffer pH 7.4, containing a final concentration of 100 &#956;M 2-oleoylglycerol, 15 &#956;M oleoyl-coenzyme A and 0.0013 &#956;g/&#956;L human or mouse MGAT-2 or 0.0026 &#956;g/&#956;L rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &#956;L of ice cold methanol containing 1 &#956;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters SYMMETRY C8, 50×2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65° C. Mass spectrometry analysis of the samples was performed on a ThermoFisher Quantum Triple quad utilizing APCI (+) as the mode of ionization. Data was acquired in Single Ion Monitoring (SIM) mode analyzing Diolein=m/z 603.6 (PRODUCT) and 1,2-distearoyl-rac-glycerol (IS)=m/z 607.6. The ratio of Diolein to internal standard (Peak Area Ratio) is utilized to calculate IC50 values.
251	1	MDM2-p53 TR-FRET Binding Assa	Test compounds (12.34 uM stock in DMSO) were diluted three fold in series in DMSO and 2 ul per well were added into 384-well polypropylene plates (Matrix) in triplicates. GST-tag full length MDM2 (22 nM, 30.8 ul/well) in Assay Buffer (50 mM Tris-HCl, pH 7.4, 100 mM NaCl, 1 mM DTT and 0.2 mg/ml BSA) were added followed by 5 ul per well of 72 nM biotin p53 peptide (Biotin-Aca-SQETFSDLWKLLPEN-OH) in Assay Buffer. The samples were incubated at room temperature for 30 min, and 2.5 ul per well of detection solution containing 16 nM europium (Eu) conjugated streptavidin (PerkinElmer) and 200 nM allophycocyanin (APC) conjugated anti-GST antibody (Columbia Biosciences) in Assay Buffer (without DTT) were added. The samples were incubated at room temperature for 40 min. Assay signals were monitored by reading excitation at 340 nm and emission fluorescence at 615 nm and 665 nm on an Envision reader. IC50 values were calculated using Prism software (GraphPad).
252	1	SYK kinase assay	Determination of IC50 of Spleen Tyrosine Kinase (SYK) inhibition: SYK kinase assay is a standard kinase assay adapted to a 96 well plate format. This assay is performed in 96-well format for IC50 determination with 8 samples which represented 10 half log dilutions and a 40 &#956;L reaction volume. The assay measures the incorporation of radiolabeled 33P gATP into an N-terminally biotinylated peptide substrate, derived from naturally occurring phosphoacceptor consensus sequence (Biotin-11aa DY*E). Phosphorylated products were detected upon termination of reactions with EDTA and the addition of Streptavidin coated beads.
253	1	Fluorescence-based ELISA assay	A variety of tissue culture cell lines, expressing endogenous levels of O-GlcNAcase, can be utilized; examples include rat PC-12, and human U-87, or SK-N-SH cells. In this assay, rat PC-12 cells were plated in 96-well plates with approximately 10,000 cells/well. Compounds to be tested were dissolved in DMSO, either 2 or 10 mM stock solution, and then diluted with DMSO and water in a two-step process using a Tecan workstation. Cells were treated with diluted compounds for 24 h (5.4 &#956;L into 200 &#956;L 1 well volume) to reach a final concentration of inhibitor desired to measure a compound concentration dependent response, typically, ten 3 fold dilution steps, starting at 10 &#956;M were used to determine a concentration response curve. To prepare a cell lysate, the media from compound treated cells was removed, the cells were washed once with phosphate buffered saline (PBS) and then lysed for 5 minutes at room temperature in 50 &#956;L of Phosphosafe reagent (Novagen Inc, Madison, Wis.) with protease inhibitors and PMSF. The cell lysate was collected and transferred to a new plate, which was then either coated to assay plates directly or frozen &#8722;80° C. until used in the ELISA procedure. If desired, the total protein concentration of samples was determined using 20 &#956;L of the sample using the BCA method. The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 &#956;L/well of the cell lysate (1:10 dilution of the lysate with PBS containing protease inhibitors, phosphatase inhibitors, and PMSF). The following day the wells were washed 3 times with 300 &#956;L/well of Wash buffer (Tris-buffered saline with 0.1% Tween 20). The wells were blocked with 100 &#956;L/well Blocking buffer (Tris buffered saline w/0.05% Tween 20 and 2.5% Bovine serum albumin) Each well was then washed two times with 300 &#956;L/well of wash buffer. The anti O-GlcNAc antibody RL-2 (Abcam, Cambridge, Mass.), diluted 1:1000 in blocking buffer, was added at 100 &#956;L/well. The plate was sealed and incubated at 37° C. for 2 h with gentle shaking. The wells were then washed 3-times with 300 &#956;L/well wash buffer. To detect the amount of RL-2 bound horse-radish peroxidase (HRP) conjugated goat anti-mouse secondary antibody (diluted 1:3000 in blocking buffer) was added at 100 &#956;L/well. The plate was incubated for 60 min at 37° C. with gentle shaking. Each well was then washed 3-times with 300 &#956;L/well wash buffer. The detection reagent was added, 100 &#956;L/well of Amplex Ultra RED reagent (prepared by adding 30 &#956;L of 10 mM Amplex Ultra Red stock solution to 10 mL PBS with 18 &#956;L 3% hydrogen peroxide, H2O2). The detection reaction was incubated for 15 minutes at room temperature and then read with excitation at 530 nm and emission at 590 nm. The amount of O-GlcNAcylated protein, as detected by the ELISA assay, was plotted for each concentration of test compound using standard curve fitting algorithms for sigmoidal dose response curves.
254	1	S1P Assay	Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 &#956;M. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Percentage activation and inhibition values were determined relative to the reference agonist at S1P1 and are shown in Table 10. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expressing S1P3 human receptor. There was no significant background response to S1P in the CHO K1 cells with either assay. Compounds were tested initially at a concentration of 10 &#956;M. Those compounds with significant efficacy (Emax>0.15 relative to S1P) at either receptor type were used to generate concentration-effect (dose response) curves at that receptor.
255	1	A2 PI3Kdelta Scintillation Proximity Assay	Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; are purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.). The kinase reaction are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination is performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
255	2	A3 PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.). The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P]ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
256	1	ROR gamma SPA Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 ug/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM for 10 min at room temperature in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% Glycerol (Sigma Cat# G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined. The IC50 value is defined as the concentration of test compound needed to reduce [3H] 25-hydroxycholesterol specific binding by 50% and is calculated using the four parameter logistic equation to fit the normalized data.
257	1	Receptor Binding Assay	The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 &#956;L/well. DMSO solutions of a test compound, which were prepared at an 80-time higher concentration using 100% dimethyl sulfoxide (DMSO), were added to the wells at 2.5 &#956;L/well (final concentrations of 1 nM to 100 nM), and the solutions were mixed. As a radiolabeled ligand, 125I-substance P (Substance P, [125I]Tyr8-, PerkinElmer) was used. 125I-substance P was diluted with the buffer solution for the receptor binding test to a concentration resulting in 125 pmol/25 &#956;L/well and added to the 96-well assay plate, and the solutions were mixed. The membrane fraction prepared from the human NK1 receptor-expressing cells was diluted with the buffer solution for the receptor binding test to a concentration resulting in 8 to 10 &#956;g/well, suspended until the suspension became in such a homogenous state that the suspension could flow through a 27 G injection needle smoothly and then added to the 96-well assay plate at 150 &#956;L/well. Then, the plate was incubated at room temperature for 60 minutes while shaking the plate. The reaction solutions were suction-filtered through a multiscreen 96-well filter plate (Millipore) which had been pre-treated with 0.3% polyethyleneimine, and the reaction was terminated by washing with a washing solution (50 mM Tris and 0.02% bovine serum albumin, pH 7.4) four times. The bottom of the microplate was dried at 60° C., and then 100 &#956;L/well of MicroScint 20 (PerkinElmer) was dispensed to the wells. The top of the plate was sealed with TopSeal A (PerkinElmer), and the plate was shaken for 5 to 10 minutes. Then, the radioactivities were measured with TopCount NXT (registered trademark) (PerkinElmer). The radioactivity of each well was calculated by subtracting the radioactivity of the well to which 10 &#956;M aprepitant was added (non-specific binding). The binding rate (%) of 125I-substance P=(the radioactivity of the group to which the test compound was added)/(the radioactivity of the group to which the vehicle was added)×100 was calculated. Using analysis software, GraphPad Prism (GraphPad Software), the binding rate (%) was plotted against the concentration of the test compound and linearly approximated, and the concentration required for 50% inhibition, IC50, was calculated.
257	2	CYP3A4 Inhibition Assay	A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a reaction solution was prepared by diluting the solution. Enzyme reaction was performed by incubating in a potassium phosphate buffer solution (pH 7.4) containing 1 nM to 20 &#956;M test compound, 3.2 mM magnesium chloride, 0.2 pmol human CYP3A4 (BD Biosciences), 0.5 mM reduced nicotinamide adenine dinucleotide phosphate (NADPH) and 3 &#956;M Luciferin-IPA (Promega) at 37° C. for 10 minutes. The volume of the reaction solution was 50 &#956;L/well. The 30-minute pre-incubation group was incubated at 37° C. for 30 minutes before adding the substrate, the Luciferin-IPA solution (125 &#956;L/well). At the end of the enzyme reaction, 50 &#956;L/well of a Luciferin detection reagent (Promega) was added to the wells, and the plate was left at room temperature for 20 minutes. Then, the emission intensities were measured with Infinite M1000 (TECAN). The enzyme activities (%) relative to the value of the group to which the test compound was not added were calculated. A dose-response curve was drawn using analysis software, GraphPad Prism (GraphPad Software), and the concentration of each compound that exhibited 50% inhibition, IC50, was calculated. As a comparative example, aprepitant, which is an NK1 receptor antagonist, was tested in the same manner.
258	1	TH17 Cytokine Inhibition ELISA	Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concentration of 0.1% DMSO in TexMACS medium. Supernatants were collected and stored at &#8722;20° C. until they were to be assayed for IL-17A, IL-17F, IL-17AF, IL-21 and/or IL-22 levels as determined by Ready-Set-Go ELISA kits (eBioscience) as per manufacturer&#39;s instructions. Endpoint absorbance was read at 450 nm and 570 nm according to manufacturer&#39;s instructions (eBioscience) using a microplate reader (Perkin Elmer). The percentage of cytokine inhibition was calculated with reference to DMSO treated cells and the IC50s were determined by GraphPad Prism software and presented in the table below.
258	2	RORgamma LBD Binding Assay	Compound binding to the human ROR&#947; LBD was assessed using the Human ROR&#947; Assay System (INDIGO Biosciences Inc.) as per manufacturer&#39;s instructions. Binding to the ROR&#947; LBD was assessed using gradient concentrations of the indicated compounds in a final concentration of 0.5% DMSO, where IC50s were generated using Graphpad Prism.
259	1	HIF-PH Assay	Ketoglutaric acid &#945;-[1-14C]-sodium salt, alpha-ketoglutaric acid sodium salt, and HPLC purified peptide were obtained from commercial sources, e.g., Perkin-Elmer (Wellesley Mass.), Sigma-Aldrich, and SynPep Corp. (Dublin Calif.), respectively. Peptides for use in the assay were fragments of HIF&#945; as described above or as disclosed in International Publication WO 2005/118836, incorporated by reference herein. For example, a HIF peptide for use in the HIF-PH assay was [methoxycoumarin]-DLDLEALAPYIPADDDFQL-amide. HIF-PH, e.g., HIF-PH2 (also known as EGLN1 or PHD2), was expressed in, e.g., insect Hi5 cells, and partially purified, e.g., through a SP ion exchange chromatography column. Enzyme activity was determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contained 50 mM HEPES (pH 7.4), 100 &#956;M &#945;-ketoglutaric acid sodium salt, 0.30 &#956;Ci/mL &#945;-ketoglutaric acid &#945;-[1-14C]-sodium salt, 40 &#956;M FeSO4, 1 mM ascorbate, 1541.8 units/mL Catalase, with or without 50 &#956;M peptide substrate and various concentrations of compound of the invention. Reactions were initiated by addition of HIF-PH enzyme. The peptide-dependent percent turnover was calculated by subtracting percent turnover in the absence of peptide from percent turnover in the presence of substrate peptide. Percent inhibition and IC50 were calculated using peptide-dependent percent turnover at given inhibitor concentrations. Calculation of IC50 values for each inhibitor was conducted using GraFit software (Erithacus Software Ltd., Surrey UK).
260	1	FLIPR Assay	On the day before the measurement day, CHO cells expressing human GPR120 were plated at 10000 cells per well in a 384-well black plate (#3702, Corning) and incubated overnight in a CO2 incubator. On the day of the measurement, 4 &#956;M Fluo-4 AM (fluorescence calcium indicator reagent) was incubated to be introduced into the human GPR120 expression CHO cells in the presence of 0.08% Pluronic F-127 in a CO2 incubator for 90 minutes. To the cells was added the test compound diluted with HBSS solution containing 20 mM HEPES and 2.5 mM probenecid. Variations in the intracellular calcium concentration were measured by Fluorescence Imaging Plate Reader (FLIPR; Molecular Devices) to examine the agonist action, and EC50 values were calculated.
260	2	IP1 Assay	IP1 assay results were obtained adapting the GPR120 assay described in C. Bergsdorf, et al., Assay Drug Dev. Technol., 2008, 6(1), 39-53.
270	1	ACMSD1 Inhibition Assay	The pre-assay mixture consisting of 3-hydroxyanthranilic acid (3OH-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extract of E. coli BL21 (DE3) cells expressing the recombinant enzyme, was incubated at 25° C. with monitoring of the increase in absorbance at 360 nm due to the formation of ACMS from 3OH-HA. After the reaction was completed within 2 mins, an aliquot of ACMSD1 solution (prepared and purified from Pichia Pastoris overexpressing the recombinant enzyme) was added, and the decrease in absorbance at 360 nm was followed at 15 second intervals. The effect of ACMS concentration on the enzyme activity was investigated by varying 3OH-HA concentration from 2 to 20 &#956;M. Kinetic parameters were calculated from the initial velocity data by using the Lineweaver-Burk plot. The rate of the decrease in absorbance caused by ACMSD1 was calculated by subtracting that of the control reaction mixture without ACMSD from that described above. One unit of ACMSD activity was indicated as the amount of enzyme that converts 1 mmol of ACMS per minute at 25° C. The absence or a reduction of ACMSD1 activity (e.g., by using ACMSD inhibitors) results in a slow ACMS-spontaneous degradation (i.e., cyclization to form quinolic acid). The enzymatic activity was determined at a HAA concentration of 10 &#956;M in the presence of the compounds in Table 1 below. The compounds were tested at the concentration of about 5 &#956;M and 10 &#956;M and the IC50 was calculated for compounds showing inhibitory activity higher than 50%.
271	1	MNK2a In Vitro Kinase Assay 2	The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from PerkinElmer. The ADP-Glo Kinase Assay (including ultra pure ATP) was purchased from Promega (V9103). Activated MNK2a was obtained as described in WO2011/104340. The unlabeled eIF4E peptide (NH2-TATKSGSTTKNR-CONH2 (SEQ ID NO: 1)), differing from Seq. ID No. 5 of WO 2011/104340 by the C-terminal CONH2 group, was purchased from Thermo Fisher Scientific. All other materials were of highest grade commercially available. Compounds are tested in either serial dilutions or single dose concentrations. The compound stock solutions are 10 mM in 100% DMSO The serial compound dilutions are prepared in 100% DMSO followed by 1:27.3 intermediate dilution in assay buffer. The final DMSO concentration in assay will be <3%.In the 384-well plates 3 &#956;l of test compound from the intermediate dilution is mixed with 4 &#956;l of the activated MNK2 enzyme (final concentration of 10 nM) and 4 &#956;l of the peptide (final concentration of 25 &#956;M)/ultra pure ATP (final concentration of 20 &#956;M), all dissolved in assay buffer. This step is followed by an incubation time of 90 min, then 10 &#956;l of ADP Glo reagent are added, followed by 40 min of incubation. Then 20 &#956;l of kinase detection reagent are admixed. The plates are sealed and after an incubation period of 30 min, the luminescence signal is measured in an Envision reader to determine the amount of produced ADP. All incubation steps are performed at room temperature. The assay buffer consists of 20 mM HEPES, 2 mM DTT, 0.01% BSA, 20 mM MgCl2 and 0.1% Pluronic F-127.Each assay microtiter plate contains wells with vehicle controls instead of compound (1% DMSO in water) as reference for the high signal (100% CTL, high signal), and wells containing a potent MNK2 inhibitor (final 20 &#956;M, 1% DMSO) as reference for low signal (0% CTL, low signal).The luminescent signal generated is proportional to the ADP concentration produced and is correlated with activated MNK2 activity. The analysis of the data is performed by the calculation of the percentage of ATP consumption of activated MNK2 in the presence of the test compound compared to the consumption of ATP in the presence of activated MNK2 without compound. (RLU(sample)&#8722;RLU(low control))*100/(RLU(high value)&#8722;RLU(low control))[RLU=relative luminescence units]An inhibitor of the MNK2 enzyme will give values between 100% CTL (no inhibition) and 0% CTL (complete inhibition). Values of more than 100% CTL are normally related to compound/sample specific physico-chemical properties (e.g. solubility, light absorbance, fluorescence).
271	2	MNK1 In Vitro Kinase Assay	The inhibition of kinase activity of MNK1a was assessed using pre-activated GST-MNK1a. The 2xMKNK1 (MNK1) mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 13.5-54 ng MKNK1 (MNK1) and 2 &#956;M Ser/Thr 07 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:32768 dilution of Development Reagent A is added.
272	1	AT2 Receptor Binding Assay	120 &#956;L membrane (5 mg protein/well) was incubated with 15 &#956;L of [125I]-CGP42112A and 15 &#956;L of compound at RT for 1.5 hrs.The binding reaction was stopped by rapid filtration through Unifilter GF/C plates (presoaked in 0.3% (v:v) BSA).Plate was washed three times with ice cold wash buffer.The filtration plates were dried at 37° C. overnight.50 &#956;L of scintillation cocktail was added to each well.Radioactivity was determined using MicroBetaTriltuunicroplate scintillation counter. 
273	1	ELISA-Based in vitro Kinase Assay	GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (Clontech) and purified using Glutathione Sepharose 4B affinity beads (GE Healthcare). Recombinant 3C protease was used to remove the GST tag. Purified ALK was used to screen inhibitors in the ELISA-based kinase assay, as follows: Nunc-Immuno 96-well plates were incubated overnight at 30° C. with coating solution containing 2 &#956;g of a specific ALK peptide substrate (ARDIYRASFFRKGGCAMLPVK) in PBS. Wells were then washed with 200 &#956;L of wash buffer (PBS-Tween 0.05%) and incubated with 4% BSA in PBS for at least 2 h at 30° C. The kinase reaction was performed in the presence of 50 mM Tris pH 7.5, 5 mM MnCl2, 5 mM MgCl2, 0.3 mM ATP and purified rALK in a total volume of 100 &#956;L/well at 30° C. for 15 min. For inhibitor testing the reaction mix was preincubated with inhibitor or vehicle for 10 min at room temperature before transferring to the ELISA plate. After the reaction, the wells were washed 5 times with 200 uL of wash buffer. Phosphorylated peptide was detected using 100 &#956;L/well of a mouse monoclonal anti-phosphotyrosine antibody (clone 4G10 UpstateBiotech Ltd) diluted 1:2000 in PBS+4% BSA. After 30 min incubation at room temperature the antibody was removed and wells were washed as described above. 100 &#956;L of a secondary antibody (anti-mouse IgG, Horseradish Peroxidase linked whole antibody, Amersham Pharmacia Biotech) diluted 1:1000 in PBS+4% BSA was added to each well and the plate was incubated again for 30 min at room temperature before washing as above. The plate was developed using 100 &#956;L/well TMB Substrate Solution (Pierce) and the reaction was stopped by adding an equal volume of 1M H2SO4. Finally, the absorbance was read at 450 nm using an ELISA plate reader (Bio-Rad). The concentration of inhibitor showing 50% inhibition as compared with the control was expressed as IC50 (&#956;M).
274	1	ALK Kinase Inhibition Activity Assay	The following method was used to determine ALK kinase inhibitory activity of the compounds of the present invention. The inhibitory activity is indicated by IC50, which means the concentration of the compound when ALK kinase activity is inhibited by 50%. The present patent established and optimized ALK (purchased from Millipore) kinase activity assay platform using the method of homogeneous time-resolved fluorescence (HTRF, Cisbio) for measuring the activity of the compounds.
275	1	M1 PAM Assay	The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measuring the intracellular calcium with a Fluorometric Imaging Plate Reader System (FLIPR, Molecular Devices). The assay study the effect of several concentrations of test compounds on basal or acetylcholine-stimulated Ca2+ levels using FLIPR.CHO human M1 are plated the day before the experiments at 2×105 cells/ml in PDL BioCoat 96 well black/clear plate (Becton 35 4640). The cells are grown at 37° C. and 5% CO2 in the following medium: F12 Nut Mix (Gibco 21765), 10% FCS heat inactivated (GIBCO 16000-044), 1% Pen Strep (Gibco, 15140) and 200 &#956;g/ml Geneticin (Gibco 11811). On the day of the experiment, the medium was removed and replaced by 100 &#956;l of dye loading buffer containing Hanks Balanced Salt solution (HBSS, 14065-049, Gibco) with 20 mM HEPES (Gibco 15630-056), 2 mM Probenicid (Sigma P8761), 2 mM Fluo-4AM ester (Molecular Probes F-14202), 10% Pluronic acid Molecular Probes P-3000) pH=7.4 and incubated at 37° C. After 60 minutes extracellular dye was removed and the cells were washed five times with FLIPR buffer containing HBSS (Gibco 14065-049) with 20 mM HEPES (Gibco, 15630-056), 2 mM Probenicid (Sigma P8761) pre-warmed at 37° C. using and Ebml cell washer leaving 100 &#956;l of FLIPR buffer in each well. The cell plate and the diluted compounds (1% DMSO final concentration) are placed on the platform of the FLIPR and the door closed. A signal test to check background fluorescence and basal fluorescence signal is performed. Laser intensity is adjusted if necessary. Two minutes preincubation with the diluted test compounds is provide to determine any agonist activity on the M1 receptor by comparison to 30 nM Acetylcholine control. In order to determine any modulator activity the diluted compounds were added to cells and after two minutes preincubation, the EC20 of acetylcholine is added followed by another two minutes preincubation before the measurement of intracellular Ca2+ with a FLIPR (Molecular Devices).
276	1	Monoamine Oxidase Assays 	Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 50 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. After leaving the enzyme(s) interacting with the inhibitor, 60 to 90 &#956;M of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L (v/v) of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor. The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes.
277	1	Test for Antagonism	4 &#956;l of a cAMP-d2/cell suspension (625000 cells/ml) were added to a test plate containing the substance solutions already initially introduced (0.05 &#956;l; 100% DMSO, concentration range from 0.8 nM-16.5 &#956;M). After a 20-minute preincubation at room temperature (RT), 2 &#956;l of a 3xPGD2 solution (6 nM, in PBS-IBMX) were added and incubated in the presence of the agonist for a further 30 min at RT (volume: 6 &#956;l). Subsequently, the reaction was stopped by addition of 2 &#956;l of lysis buffer and incubated for a further 20 min at RT before the actual measurement (volume: 8 &#956;l).
279	1	FGFR Enzymatic Assay 1	FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen. GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 &#956;M or less are considered active. The compounds of the invention were found to be selective inhibitors of FGFR3 and/or FGFR4 according to the FGFR Enzymatic Assays. Compounds of Formula (I&#8242;) and (I) and all the compounds as described herein have been tested and exhibit an IC50 of less than 1 &#956;M. Table 1 provides IC50 data for compounds of the invention assayed in the FGFR Enzymatic Assay after dilution in assay buffer, added to the plate and pre-incubated for 4 hours.
279	2	FGFR Enzymatic Assay 2	FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen. GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 &#956;M or less are considered active. The compounds of the invention were found to be selective inhibitors of FGFR3 and/or FGFR4 according to the FGFR Enzymatic Assays. Compounds of Formula (I&#8242;) and (I) and all the compounds as described herein have been tested and exhibit an IC50 of less than 1 &#956;M. Table 3 provides IC50 data for compounds of the invention assayed in the FGFR Enzymatic Assay after dilution in assay buffer, added to the plate and pre-incubated for 5 to 10 minutes.
280	1	HEK-Blue-hTLR7 assay	HEK-Blue-hTLR7 cells were incubated at a density of 250,000&#152;450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/L glucose, 50 U/mL penicillin, 50 mg/mL streptomycin, 100 mg/mL Normocin, 2 mM L-glutamine, 10% (V/V) heat-inactivated fetal bovine serum for 24 hrs. Then the HEK-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hrs. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 2 hrs and the absorbance was read at 620&#152;655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002)).
291	1	JAK1 Assay	As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the compounds or salts are about 10-fold more selective for JAK1 over JAK2. In some embodiments, the compounds or salts are about 10-fold, about 15-fold, or about 20-fold more selective for JAK1 over JAK2 as calculated by measuring IC50 at 1 mM ATP.
291	2	PI3K Delta Assay	In some embodiments, the PI3K&#948; inhibitor is selective. By selective is meant that the compound binds to or inhibits a kinase with greater affinity or potency, respectively, compared to at least one other kinase. In some embodiments, the PI3K&#948; inhibitors are selective inhibitors of PI3K&#948; (e.g., over PI3K&#945;, PI3K&#946; and PI3K&#947;). In some embodiments, selectivity can be at least about 2-fold, 5-fold, 10-fold, at least about 20-fold, at least about 50-fold, at least about 100-fold, at least about 200-fold, at least about 500-fold or at least about 1000-fold. Selectivity can be measured by methods routine in the art. In some embodiments, selectivity can be tested at the Km ATP concentration of each enzyme. In some embodiments, the selectivity of compounds described herein can be determined by cellular assays associated with particular PI3K kinase activity.
291	3	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
293	1	Class B Enzyme Assay	The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 &#956;M ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 &#956;M. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 uM to 0.00063 uM. In a 384-well microplate, the test inhibitor was incubated with the metallo-&#946;-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
294	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
295	1	FABP Assay	Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy transfer (TR-FRET) assays monitoring the direct binding of Bodipy labeled fatty acid to His6 tagged FABP proteins (huFABP4 was expressed in house in E. coli and purified, huFABP5 was purchased from Cayman Chemical Co., cat. no. 10010364), bound to Terbium labeled anti His6 tag antibody. Assay read-outs reflected energy transfer, upon binding of the ligand to the FABP protein, from the Terbium donor molecule to the acceptor Bodipy moiety. Final ligand concentration (125 nM) approximated the Kd for each protein. Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 &#956;M to 0.003 &#956;M final compound concentration). 1 &#956;l of these compound dilutions and 1 &#956;l of Bodipy labeled fatty acid 4.5 &#956;M in 100% DMSO (Bodipy FL C11, cat. no. D3862, Invitrogen) were sequentially pipetted in wells of 384-well black polypropylene plates (Thermo Matrix cat. no. 4344). FABP4 or FABP5 protein was then added (28 &#956;l of 64 nM protein in 25 mM Tris pH 7.5, 0.4 mg/ml &#947;-globulin, 1 mM DTT, 0.012% NP40, final protein concentration: 50 nM). Assay blanks contained ligand, but no protein. Neutral controls contained ligand, but no compound. After adding the detection reagent (Tb antiHis6 antibody, Columbia Biosciences, TB-110, 6 &#956;l of a 24 nM Ab solution in 25 mM Tris pH 7.5, 0.4 mg/ml &#947;-globulin, final Tb antiHis6 Ab concentration: 4 nM), plates were spun one minute at 1000 rpm. Following an incubation at room temperature with shaking for 30 minutes, plates were read using an Envision reader (Perkin Elmer, Extinction wavelength: 340 nm, Emission: 490 nm and 520 nm, time delay: 100 &#956;s; time window: 200 &#956;s, 50 flashes). Final assay conditions were: 50 nM FABP protein, 125 nM Bodipy labeled fatty acid, 0.009% (vol/vol) NP40, 5.5% (vol/vol) DMSO in a total final assay volume of 36 &#956;l. The assay was performed in triplicate.
296	1	Norovirus Polymerase Inhibition Assay	Polymerase reactions (10 &#956;L) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 &#956;M each, with 0.05 &#956;Ci &#945;32P-UTP (800 Ci/mmol). Compounds were incubated with murine norovirus, with or without viral protein genome-linked (VPg) in reaction buffer in the absence of NTPs for 10 minutes on ice. Reactions were initiated by the addition of NTPs, and terminated by the addition of an equal volume of 2× Tris/Borate/EDTA (TBE) loading dye/buffer (Invitrogen, Inc.). RNA products (100 nt) were resolved by electrophoresis in 6% TBE-urea gels (Invitrogen, Inc.). Semi-quantitative analysis of RNA products was conducted by exposure of dried gels to GE Healthcare Phosphor screens, followed by measurement of relative band intensities using GelQuant.NET software (BiochemLab Solutions, Inc.).
297	1	Receptor Binding Assay with 125I-Ghrelin	Competition experiments were performed by incubating 50 &#956;g of LLC-PK1 membranes expressing human GHS-R1a with 15 fmol of 125I-Ghrelin and increasing concentrations of unlabeled ghrelin or with increasing concentrations of azapeptides derivatives in 0.5 mL of binding buffer. Bound radiolabelled ligand was separated from free by filtration on Whatman GF/C filters pretreated with a 1% polyethylenimine solution. Filters were washed with 2×3 mL of washing buffer (50 mM Tris-HCl, pH 7.3, 10 mM MgCl2, 2.5 mM EDTA, 0.015% Triton X-100). Filters were counted in a LKB gamma counter. Curves were analyzed using Prism software (GraphPad Software Inc).
297	2	HS-R1a radioreceptor assay	GHS-R1a radioreceptor assay using LLCPK-1 membranes overexpressing GSH-R1a and radioiodinated (1-28) rat ghrelin as tracer.
298	1	Inhibitory Activity Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
298	2	Enzymatic Activity Assay	Human serine protease enzymes plasmin, thrombin, trypsin, Factor Xa and Factor XIIa were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 minutes. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. The Km for the cleavage of each substrate was determined by standard transformation of the Michaelis-Menten equation. The compound inhibitor assays were performed at substrate Km concentration and activities were calculated as the concentration of inhibitor giving 50% inhibition (IC50) of the uninhibited enzyme activity (100%).
299	1	FLIPR Assay	Cells were seeded at a density of 5×104 cells per well in Biocoat Poly-D-lysine-coated black-wall, clear-bottom 96-well plates (Becton-Dickinson) and allowed to attach overnight in an incubator at 37° C. Cells were then washed two times with HBSS-HEPES buffer (Hanks Balanced Salt Solution without bicarbonate and phenol red, 20 mM HEPES, pH 7.4) using a Denley Cellwash plate washer (Labsystems). After 45 minutes of dye-loading in the dark, using the calcium-sensitive dye Fluo-4 AM at a final concentration of 2 mM, plates were washed four times with HBSS-HEPES buffer to remove excess dye leaving 100 ml in each well. Plates were re-equilibrated to 37° C. for a few minutes.Cells were excited with an Argon laser at 488 nm, and emission was measured through a 510-570 nm bandwidth emission filter (FLIPR&#153;, Molecular Devices, Sunnyvale, Calif.). Drug solution was added in a 50 &#956;l volume to each well to give the desired final concentration. The peak increase in fluorescence intensity was recorded for each well. On each plate, four wells each served as negative (HBSS-HEPES buffer) and positive controls (standard agonists: BW245C (hDP); PGE2 (hEP1; hEP2/Gqs5; hEP3A/Gqi5; hEP4/Gqs5); PGF2a (hFP); carbacyclin (hIP); U-46619 (hTP), depending on receptor). The peak fluorescence change in each drug-containing well was then expressed relative to the controls.
300	2	Radioligand Binding Assay (EP) (In vitro Assay)	Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM TrisHCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 &#956;M unlabelled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM TrisHCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive binding experiments: Binding reactions were preformed its 96-well polypropylene plates at room temperature for 18 h. In 360 &#956;L, membranes were incubated with 100 pM [3H]compound and increasing concentrations of Test Compound. Non-specific binding was defined in the presence of 1 &#956;M unlabelled compound. Reactions were transferred and filtered through 96-well glass fiber/C filter plates presoaked with 0.5% polyethylene imine. The filtered reactions were washed 5 times with 200 &#956;L ice cold butter containing 0.25% BSA. Bound radioactivity was determined by liquid scintillation counting.
300	1	Electrophysiological Assay (EP) (In vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating, NaV1.7 and NaV1.5 cDNAs (NM_002977 and AC137587; SCN5A, respectively) were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed in both the NaV1.7 and NaV1.5 cell lines.Sodium currents were measured rising the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolality in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. 
301	1	Receptor Binding Test	1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein for transfecting HEK293 cells by calcium phosphate transfection method. By culturing the transfected cells in culture medium containing G418 and selecting cell clones followed by radioligand binding test, a stable cell strain capable of expressing the D2 receptor protein stably is finally obtained.(2) Materials for the Receptor Binding Test:Isotopic ligand [3H] Spiperone (113.0 Ci/mmol) purchased from Sigma Corporation; (+) spiperone purchased from RBI Corporation; GF/B glassfiber filter purchased from Whatman Corporation; imported and subpackaged Tris; PPO and POPOP purchased from Shanghai No. 1 Reagent Factory; and fat-soluble scintillation fluid. Beckman LS-6500 multifunction liquid scintillation counter.2. Experimental Methods: (1) Cells:HEK-293 cells are infected with the recombinant viruses containing various genes. 48-72 h later, receptor proteins are massively expressed on the membrane. The cells are centrifuged at 1000 rpm for 5 min, then the culture supernatant is discarded and the cell pellets are collected, preserved in refrigerator at &#8722;20° C., and resuspended with Tris-HCl reaction buffer (pH=7.5) before use.(2) Competitive Receptor Binding Test:The compound to be tested, the radioligand (20 &#956;L for each) and the receptor protein (160 &#956;L) are added to a reaction tube, wherein the compound to be tested and the positive drug both have the final concentration of 10 &#956;mol/L.After being incubated in water bath at 30° C. for 50 min, the tube is immediately transferred to ice bath to stop the reaction. The mixture is subjected to rapid suction filtration through GF/C glassfiber filter on Millipore cell sample collector, washed with eluent (50 mM Tris-HCl, pH 7.5) (3 mL×3) and dried under microwave for 5-6 min. The filter is transferred to a centrifuge tube (0.5 mL), added with 500 &#956;L fat-soluble scintillation fluid, left in the dark for over min, and counted to determine the radioactivity intensity. The percentage inhibition ratio for each compound to inhibit the isotopic ligand binding is calculated with the following equation:inhibition ratio (1%)=(total binding tube CPM&#8722;compound CPM)/(total binding tube CPM&#8722;non-specific binding tube CPM)×100%Each compound is tested in duplicate, and the tests are carried out independently twice.Compounds with an inhibition ratio of over 95% are subjected to the receptor binding test at a series of concentrations so as to determine half maximal inhibitory concentration (IC50, the concentration of the compound required for inhibiting 50% binding of [3H]-Spiperone to D2 receptor). Each concentration is tested in duplicate, and tests are carried out independently twice for each compound.
301	2	Dopamine D3 Receptor Binding Test	The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spiperone (0.3 nM) as the ligand and (+)-butaclamol (10 LM) for determining non-specific binding, binding tests are carried out on human recombinant D3 receptor (expressed in CHO cells).
301	3	5-HT1A Receptor Binding Test	1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased from Sigma Corporation), GF/B glassfiber filter (purchased from Whatman Corporation), fat-soluble scintillation fluid: PPO and POPOP (purchased from Shanghai No. 1 Reagent Factory), toluene (purchased from Sinopharm Chemical Reagent Co., Ltd), and Tris (imported and subpackaged).Cells: HEK-293 cells stably expressing 5-HT1A receptors as obtained by gene recombination are cultured for 3-5 days in cell culture medium DMEM supplemented with 10% serum. The cells are collected with PBS and centrifuged at &#8722;4° C. and 3000 rpm for 10 min, the supernatant is then discarded, and the cell pellets are collected, preserved in refrigerator at &#8722;80° C., and resuspended with D1 Binding Buffer (pH 7.4) before use.2. Experimental Methods:Competitive inhibition ratio of each compound at the concentration of 10 &#956;mol/L to inhibit the binding of [3H]8-OH-DPAT to 5-HT1A receptor is determined for primary screening.Compounds with an inhibition ratio of over 95% are subjected to the receptor binding test at a series of concentrations so as to determine half maximal inhibitory concentration (IC50, the concentration of the compound required for inhibiting 50% binding of [3H]8-OH-DPAT to 5-HT1A receptor). Each concentration is tested in duplicate, and tests are carried out independently twice for each compound. Total binding tube [3H].8-OH-DPAT 20 &#956;L D1 Binding Buffer 20 &#956;L Cells 160 &#956;L&#8194; Non-specific tube [3H].8-OH-DPAT 20 &#956;L 5-HT(10&#8722;4) 20 &#956;L Cells 160 &#956;L&#8194; Tube with the [3H].8-OH-DPAT 20 &#956;L compound to be tested The compound to be tested 20 &#956;L Cells 160 &#956;L&#8194;The components are mixed to homogeneity, and then the above tubes are transferred to water bath at 30° C. (1 h), removed into ice bath immediately, and suction filtered on Harvest (with ice cold Tris eluate for 5 times). The filter membrane is dried over medium heat for 8 min, removed into a centrifuge tube (0.5 mL), added with scintillation fluid, and left standed for 30 min before measurement.1%=(total binding CPM&#8722;the tested compound CPM)/(total binding CPM&#8722;non-specific CPM)×100%Ki=IC50/(1+[L]/KD) (Ki: the affinity of the drug to the receptor, L: the concentration of the radioligand, KD: the value of the affinity of the radioligand to the receptor)
301	4	5-HT2A Receptor Binding Test	1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein for transfecting HEK293 cells by calcium phosphate transfection method. By culturing the transfected cells in culture medium containing G418 and selecting cell clones followed by radioligand binding test, a stable cell strain capable of expressing the 5-HT2A receptor protein stably is finally obtained.(2) Materials for the Receptor Binding Test:Isotopic ligand [3H]-Ketanserin (67.0 Ci/mmol) purchased from PerkinElmer Corporation; (+) spiperone purchased from RBI Corporation; GF/B glassfiber filter purchased from Whatman Corporation; imported and subpackaged Tris; PPO and POPOP purchased from Shanghai No. 1 Reagent Factory; and fat-soluble scintillation fluid. Beckman LS-6500 multifunction liquid scintillation counter.2. Experimental MethodsHEK-293 cells are infected with the recombinant viruses containing various genes. 48-72 h later, receptor proteins are massively expressed on the membrane. The cells are centrifuged at 1000 rpm for 5 min, then the culture supernatant is discarded and the cell pellets are collected, preserved in refrigerator at &#8722;20° C., and resuspended with Tris-HCl reaction buffer (PH 7.7) before use.Competitive receptor binding test: the compound to be tested, the radioligand (10 &#956;l for each) and the receptor protein (80 &#956;l) are added to a reaction tube, wherein the compound to be tested and the positive drug both have the final concentration of 10 &#956;mol/L. After being incubated in water bath at 37° C. for 15 min, the tube is immediately transferred to ice bath to stop the reaction. The mixture is subjected to rapid suction filtration through GF/B glassfiber filter on Millipore cell sample collector, washed with eluent (50 mM Tris-HCl, PH 7.7) (3 ml×3) and dried in microwave oven for 8-9 min. The filter is transferred to a centrifuge tube (0.5 mL), added with 500 &#956;L fat-soluble scintillation fluid, left in the dark for over 30 min, and counted to determine the radioactivity intensity. The percentage inhibition ratio for each compound to inhibit the isotopic ligand binding is calculated with the following equation:inhibition ratio (1%)=(total binding tube CPM&#8722;compound CPM)/(total binding tube CPM&#8722;non-specific binding tube CPM)×100%Each compound is tested in duplicate, and the tests are carried out independently twice.Compounds with an inhibition ratio of over 95% are subjected to the receptor binding test at a series of concentrations so as to determine half maximal inhibitory concentration (IC50, the concentration of the compound required for inhibiting 50% binding of [3H]-Ketanserin to 5-HT2A receptor). Each concentration is tested in duplicate, and tests are carried out independently twice for each compound.Ki=IC50/(1+[L]/KD) (Ki: the affinity of the drug to the receptor, L: the concentration of the radioligand, KD: the value of the affinity of the radioligand to the receptor)
302	1	Competition Binding	This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Technologies) cells were stably expressed with human GPR139 receptor, whose expression is controlled by a tetracycline inducible element. The cells were cultured in medium containing F12K, 10% Tetracycline free FBS, 1% Penn/Strep, 200 ug/mL Hygromycin. GPR139 receptor expression was induced for 18 hrs with 1 ug/mL doxycycline (Sigma D9891) in growth media. After addition of doxycycline, cells were harvested in PBS and pelleted by centrifugation for 5 minutes at 200xG. Liquid was aspirated off and cells were resuspended in ice cold Lysis buffer (20 mM HEPES/5 mM EDTA pH 7.4/1x Roche protease inhibitor). Samples were vortexed until homogenous and then placed on ice and homogenized using Dounce homogenizer on 50% power 3 separate times for 10 strokes each time. Lysate was centrifuged at 4&deg; C. for 10 minutes in a tabletop Sorvall at 2000xG and supernatant was recovered and centrifuged in a Sorvall Ultracentrifuge at 35,000 rpm for 30 minutes at 4&deg; C. The supernatant was discarded and the remaining pellet resuspended in Lysis buffer (20 mM HEPES/0.1 mM EGTA/Roche protease inhibitor). Membrane protein concentration was determined using ThermoFisher BCA quantification kit and aliquoted into microtubes. Tubes were snap frozen in LN2 and stored at -80&deg; C.Membranes were removed from -80&deg; C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/l mM CaCl2/Roche protease inhibitor). Compounds suspended in DMSO were diluted in 1 nM (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide, readily prepared from (S)-N-(1-(2-chloro-4-hydroxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide (20 mM HEPES pH 7.4/5 mM MgCl2/l mM CaCl2/Roche protease inhibitor fresh/(S)-N-(1-(2-chloro-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide) in a 0.3 mL 96 well polypropylene assay plate (Fisher Scientific). Membranes (10 ug) were added to the assay plate, spun for 30 seconds at 300 rpm in a tabletop Eppendorf centrifuge, and then incubated at room temperature for 20 minutes. Filtermat A (Perkin Elmer No. 1450-421) is pre-soaked in 0.5% PEI (Sigma P3143) for 3 hours and dried at room temperature overnight. The contents of the assay plate were transferred to Filtermat A (Perkin Elmer No. 1450-421) using Tomtec harvester and washed 5 times with cold wash buffer (Tris-HCl pH 7.5). Filtermats were dried using a microwave oven and placed in sample bags (Perkin Elmer No. 1450-432) with scintillator sheets (Perkin Elmer No. 1450-411). Scintillator sheets were melted to filtermats using a heat block set to 65&deg; C., placed in MicroBeta cartridges and read using the MicroBeta scintillation counter.
303	1	TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Fluorescence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease: 10 nM Eu-streptavidin (Perkin-Elmer Catalog#AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog #STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog #PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.After the incubation the plates were read on a BMG Pherastar Fluorescent plate reader (or equivalent) and used to measure the emission energy from the europium donor fluorophore (620 nm emission) and the FRET (665 nm emission). 
317	1	Inhibition Assay of Human DPPI (Cathepsin C)	Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 6007270). The substrate Gly-Arg-AMC was from Biotrend (Prod.-No. 808756 Custom peptide). Bovine serum albumin (BSA; Prod. No. A3059) and Dithiothreitol (DTT; Prod. No D0632) were from Sigma. TagZyme buffer was from Riedel-de-Haen (Prod.-No. 04269), NaCl was from Merck (Prod.-No. 1.06404.1000) and morpholinoethane sulfonic acid (MES), was from Serva (Prod.-No. 29834). The DPP1 inhibitor Gly-Phe-DMK was purchased from MP Biomedicals (Prod.-No. 03DK00625). The recombinant human DPPI was purchased from Prozymex. All other materials were of highest grade commercially available. The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH 6.0 with HCl. Assay conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 &#956;g/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature. Five uL test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 &#956;L of DPPI in MES buffer (final concentration 0.0125 ng/&#956;L) and incubated for 10 min. Then, 5 &#956;L of substrate in MES buffer (final concentration 50 &#956;M) were added. The microtiter plates were then incubated at room temperature for 30 mM Then, the reaction was stopped by adding 10 &#956;L of Gly-Phe-DMK in MES-buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm). Each assay microtiter plate contained wells with vehicle controls (1% DMSO in bidest+0.075% BSA) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (Gly-Phe-DMK, in bidest+1% DMSO+0.075% BSA, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values). The analysis of the data was performed by calculating the percentage of fluorescence in the presence of test compound in comparison to the fluorescence of the vehicle control after subtracting the background fluorescence using the following formula: (RFU(sample)&#8722;RFU(background))*100/(RFU(control)&#8722;RFU(background)).
317	2	Inhibition Assay of Human Cathepsin K	Materials: Microtiterplates (Optiplate-384 F were purchased from PerkinElmer (Prod. No. 6007270). The substrate Z-Gly-Pro-Arg-AMC was from Biomol (Prod.-No. P-142). L-Cysteine (Prod. No. 168149) was from Sigma. Sodium acetate was from Merck (Prod.-No. 6268.0250), EDTA was from Fluka (Prod.-No. 03680). The inhibitor E-64 was purchased from Sigma (Prod.-No. E3132). The recombinant human Cathepsin K proenzyme was purchased from Biomol (Prod. No. SE-367). All other materials were of highest grade commercially available. The following buffers were used: Activation buffer: 32.5 mM sodium acetate, adjusted to pH 3.5 with HCl; Assay buffer: 150 mM sodium acetate, 4 mM EDTA, 20 mM L-Cysteine, adjusted to pH 5.5 with HCl, Assay conditions: To activate the proenzyme, 5 &#956;l procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min. 5 &#956;L test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of Cathepsin K in assay buffer (final concentration 2 ng/&#956;L) and incubated for 10 min. Then 5 &#956;L of substrate in assay buffer (final concentration 12.5 &#956;M) were added. The plates were then incubated at room temperature for 60 min. Then, the reaction was stopped by adding 10 &#956;L of E64 in assay buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm). Each assay microtiter plate contains wells with vehicle controls (1% DMSO in bidest) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (E64 in bidest+1% DMSO, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values). The analysis of the data was performed by calculating the percentage of fluorescence in the presence of test compound in comparison to the fluorescence of the vehicle control after subtracting the background fluorescence: (RFU(sample)&#8722;RFU(background))*100/(RFU(control)&#8722;RFU(background)).
318	1	WNT Pathway Reporter Gene Assay	Materials and Methods: NIH3T3 mouse fibroblast cells (American Type Culture Collection, Manassas, Va.) were transfected with a plasmid containing a luciferase gene driven by 5 copies of TCF elements. Stale cells selected with 1 &#956;g/mL of Zeocin (Gibco/Invitrogen, Carlsbad, Calif.) are cultured in Dulbecco&#39;s modified Eagle&#39;s medium (Invitrogen, Carlsbad, Calif.) supplemented with 10% FBS (Invitrogen), 50 unit/mL penicillin and 50 &#956;g/mL of streptomycin (Invitrogen) at 37° C. with 5% CO2 in air atmosphere. Suspension HEK293 cells (ATCC) were transfected with a plasmid containing full-length human WNT-3a cDNA sequence driven by a CMV promoter, and stable cells were selected in FreeStyle 293 medium (Invitrogen) supplemented with 100 ug/mL G418. The NIH3T3 TCF-Luc cells and 293 WNT3a cells were co-cultured in a 96-well plate with DMEM medium supplemented with 0.5% FBS. After 16 hours, the firefly luciferase activities are measured with the Steady-Glo Luciferase Assay System (Promega). The cells were treated with different concentrations of compounds of this invention during the co-culture. The IC50s were defined as the concentration when the compounds reduce the luminescence intensity by 50%. To normalize for cell quantity and viability, CellTiter Glo assay is next performed in a duplicate plate.
329	1	Submitochondrial Particle Assay	The procedure for determining catalytic activity of submitochondrial particles was adapted from Satoh et al. (e.g., see Satoh T, Miyoshi H, Sakamoto K, Iwamura H. Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases. Biochim Biophys Acta. 1996, 1273, 21-30). NADH-DB reductase activity was measured using a stirred cuvette in a spectrophotometer (Hewlett-Packard, Houston Tex.) at 37° C., as the rate of NADH oxidation at 340 nm (&#949;=5.4 mM&#8722;1×cm&#8722;1) for 120 seconds. The final volume of the reaction was 2.5 mL, containing 50 mM K2HPO4 (pH 7.4), 0.4 &#956;M Antimycin A, and 2 mM potassium cyanide. The final SMP concentration was 45 &#956;g/mL. The enzyme reaction was initiated by the addition of 100 &#956;M decyl ubiquinone and 50 &#956;M NADH. Inhibitors at varying concentrations were pre-incubated with the reaction mixture containing SMPs for 4 min prior to initiation of the reaction. The IC50 value was determined as the concentration of the inhibitor required for 50% inhibition of the NADH oxidation. The IC50 value was calculated using GraphPad Prism Version 4 (GraphPad, San Diego, Calif.).
357	1	Estrogen Receptor Coactivator Assay	It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ER&#945;298-554 protein representing ER&#945; ligand-binding domain, (ii) Tb-labeled His6 antibody, (iii) a fluorescein-labeled PGC1&#945; coactivator peptide (EAEEPSLLKKLLLAPANTQ), and (iv) estradiol, results in a decrease of the TR-FRET signal due to dissociation of the coactivator peptide. His6-ER&#945;298-554 proteins were expressed as WT or D538G or Y537S mutants in E. coli and purified by affinity chromatography. The assay works in a homogeneous mix-and-read format. In a typical experiment, a 4 &#956;L mixture of 0.5 nM His6-ER&#945;298-554, 0.5 nM Tb-labeled His6 antibody, 250 nM PGC1a peptide, and 3 nM estradiol in 100 mM potassium phosphate, pH 7.4, 0.01% Tween-20, 0.02% NaN3, 5 mM DTT, was added to 40 nL test compound in DMSO and incubated overnight at room temperature. The TR-FRET 520:495 nm emission ratio was calculated and used to determine the IC50 value from a dose response curve fit to the 4-parameter logistic equation. The antagonist activity with respect to estrogen receptors in this test is given by the concentration which inhibits 50% of the estrogen receptor activity (or IC50) in nM.
364	1	AT2 Receptor Binding Assay	120 &#956;L membrane (5 mg protein/well) was incubated with 15 &#956;L of [125I]-CGP42112A and 15 &#956;L of compound at RT for 1.5 hrs. The binding reaction was stopped by rapid filtration through Unifilter GF/C plates (presoaked in 0.3% (v:v) BSA).Plate was washed three times with ice cold wash buffer.The filtration plates were dried at 37° C. overnight.50 &#956;L of scintillation cocktail was added to each well.Radioactivity was determined using MicroBetaTriluxmicroplate scintillation counter.
369	1	Rat Synaptosome Binding Assay	The synaptosomes (150 &#956;g) prepared from a rat brain were incubated at 37° C. for 15 minutes with 0.1 &#956;Ci [3H]5-HT in the absence or presence of the test compound or the reference compound in a buffer solution containing 106.2 mM NaCl, 4.5 mM KCl, 2.25 mM MgSO4, 1.08 mM NaH2PO4, 22.5 mM NaHCO3, 9.9 mM glucose, 9 &#956;M EGTA and 45 &#956;M ascorbic acid (pH 7.4).The basal control activity was determined by incubating the same mixture at 4° C. for 15 minutes in the presence of 10 &#956;M imipramine to block the uptake of 5-HT, which was taken as the standard reference compound and tested in each experiment at several concentrations to obtain an inhibition curve.Following the incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) and rinsed twice with an ice-cold incubation buffer using a 96-sample cell harvester (Unifilter, Packard) to eliminate free [3H]5-HT. The filters were dried and the retained radioactivity was measured in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The experimental results were expressed as a percent inhibition of the control uptake of [3H]5-HT.Data AnalysisInhibition of serotonin transporter in rat synaptosome was measured by the concentrations of [3H]5-HT. The test compounds were required to be tested at least twice in the case of the concentration thereof being greater than 6 log, and the obtained data were subjected to a nonlinear regression analysis via a curve of Hill equation, to obtain IC50 value.
369	2	Human 5-HT1A Receptor Binding Assay	Human HEK-293 cell homogenates (36 &#956;g protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence or presence of the test compound in a buffer solution containing 50 mM Tris-HCl (pH 7.4), 10 mM MgSO4, 0.5 mM EDTA and 2 &#956;g/ml aprotinine.The non-specific binding value was determined by incubating the same mixture in the presence of 10 &#956;M 8-OH-DPAT, which was used as the standard reference compound and tested in each experiment at several concentrations to obtain a competition curve.Following the incubation, the samples were filtered rapidly under vacuum through glass fiber filter (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and the retained radioactivity was measured in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The experimental results were expressed as a percent inhibition of the control radioligand specific binding.Data AnalysisBinding assay of [3H] 8-OH-DPAT (0.3 nM) with 5-HT1A receptor in human HEK-293 cell was tested by scintillation proximity assay of membrane. The test compounds were required to be tested at least three times in the case of the concentration thereof being greater than 6 log, and the obtained data were subjected to a nonlinear regression analysis via a curve of Hill equation, to obtain IC50 value, and then calculated by ChengPrusoff equation to obtain Ki value, and Ki was the inhibition constant.
373	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, INVITROGEN Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
373	2	Jak2 Tyrosine Kinase Assay	Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinical trials (see for example, see Pardanani, A., Leukemia, 26:1449 (2012)). Jak2 signaling occurs thru EPO and TPO, which control erythrocyte and platelet proliferation, respectively. Thus, inhibition of Jak2 tyrosine kinase can potentially lead to side-effects in the clinic. Btk inhibitors with improved selectivity over Jak2 tyrosine kinase are desired in order to minimize off target side-effects related to the inhibition of Jak2 tyrosine kinase.The assays were performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerolphosphate, 0.015% Brij 35 surfactant and 4 mM DTT). The reaction was initiated by the combination of Jak2 tyrosine kinase with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 minutes and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays is ATP, 30 &#956;M; Jak2 fluorescent peptide, 1.5 &#956;M; Jak2, 1 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations, each in duplicate. IC50 values were derived by non-linear regression analysis.
374	1	BT474 Assay	To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpression) and N87 (EGFR and ErbB2 overexpression) cell was developed. In this assay, inhibition of EGFR and ErbB2 was detected by the inhibition of BT474 and N87 cells proliferation. BT474 cells were cultured in culture flasks to 40-80% confluence in DMEM plus 10% fetal bovine serum. N87 cells were cultured in culture flasks to 40-80% confluence in RPMI-1640 plus 10% fetal bovine serum. Cells were collected and plated onto 96-well plates at desired cell density (BT474: 1000 cells/well; N87: 1000 cells/well). BT474 plates were incubated 48 h at 37° C., with 5% CO2 to adhere. N87 plates were incubated overnight at 37° C., with 5% CO2 to adhere. Compounds were added to the plates, The final compound concentrations were 1000, 333.3, 111.1, 27.04, 12.35, 4.12, 1.37, 0.46 and 0.15 nM. Place BT474 plates at 37° C., with 5% CO2 for 7d. Place N87 plates at 37° C., with 5% CO2 for 72 h. After removing the medium, 20 &#956;l MTS/100 &#956;l medium mixture solution were added to each well and incubate the plates for exactly 2 hours. Measure absorbance at 490 nm and 650 nm (reference wavelength). IC50 was calculated using GraphPad Prism 5.0.
374	2	N87 Assay	To investigate whether a compound is able to inhibit the activity of EGFR and ErbB2 in cells, a mechanism-based assay using BT474 (EGFR overexpression) and N87 (EGFR and ErbB2 overexpression) cell was developed. In this assay, inhibition of EGFR and ErbB2 was detected by the inhibition of BT474 and N87 cells proliferation. BT474 cells were cultured in culture flasks to 40-80% confluence in DMEM plus 10% fetal bovine serum. N87 cells were cultured in culture flasks to 40-80% confluence in RPMI-1640 plus 10% fetal bovine serum. Cells were collected and plated onto 96-well plates at desired cell density (BT474: 1000 cells/well; N87: 1000 cells/well). BT474 plates were incubated 48 h at 37° C., with 5% CO2 to adhere. N87 plates were incubated overnight at 37° C., with 5% CO2 to adhere. Compounds were added to the plates, The final compound concentrations were 1000, 333.3, 111.1, 27.04, 12.35, 4.12, 1.37, 0.46 and 0.15 nM. Place BT474 plates at 37° C., with 5% CO2 for 7d. Place N87 plates at 37° C., with 5% CO2 for 72 h. After removing the medium, 20 &#956;l MTS/100 &#956;l medium mixture solution were added to each well and incubate the plates for exactly 2 hours. Measure absorbance at 490 nm and 650 nm (reference wavelength). IC50 was calculated using GraphPad Prism 5.0.
376	1	JAK Enzymatic Assay	Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino acids 831-1132), or JAK3 (amino acids 781-1124) under buffer conditions of 50 mM HEPES pH 7.3, 1 mM DTT, 0.01% Tween 20, 50 &#956;g/mL BSA, and 10 mM MgCl2. JAK enzyme was expressed as an N-terminal GST fusion in insect cells and purified by glutathione-affinity and size-exclusion chromatographies. Enzymes were assayed both at their respective ATP Km (JAK1: 55 &#956;M, JAK2: 15 &#956;M, JAK3: 3 &#956;M) and the approximated high end of physiological ATP concentration of 5 mM, in the presence of inhibitor dosed at 30, 3, 0.3, 0.03, 0.003 and 0 &#956;M final test concentrations. For JAK1, 6 nM of enzyme (for Km ATP assay) or 4 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2 (SEQ ID NO:1), Intonation, Boston, Mass.). For JAK2, 0.8 nM of enzyme (for Km ATP assay) or 0.3 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). For JAK3, 0.2 nM of enzyme (for Km ATP assay) or 0.1 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). Phosphorylated and unphosphorylated peptides were separated and quantified by a Caliper LC3000 system (Caliper Life Sciences, MA) for calculating percent inhibition. The results of this assay are shown in Table 16 and indicate that the compounds of Formula (I), (Ia), (Ib) and Table 1 exhibit preferential inhibition of JAK1 over JAK2 (in many cases demonstrating over 100 times selectivity for inhibition of JAK1 vs. JAK2).
377	1	LSD1 Inhibitory Assay	A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula. inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank) (control&#8722;blank))×100The count of the LSD1 enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and LSD1 enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
377	2	MAO-A Inhibitory Assay	The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula. inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank) (control&#8722;blank))×100The count of the MAO-A enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-A enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
377	3	MAO-B Inhibitory Assay	The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula. inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank) (control&#8722;blank))×100The count of the MAO-B enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-B enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
379	1	Alpha 7 UAChR Inhibition Assay	The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol, 1999, 38, 679-690.Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulfonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4° C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000×g, 4° C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000×g, 4° C., 10 min). The two supernatants are combined and centrifuged (15 000×g, 4° C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is suspended in binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and the suspension is centrifuged (15 000×g, 4° C., 30 min), twice.The residue is resuspended in binding buffer to a concentration of 4 mg/ml and incubated in a volume of 250 &#956;l (amount of membrane protein 0.4 mg) in the presence of 2 nM [3H]-methyllycaconitine, 0.1% (w/v) BSA (bovine serum albumin) and various concentrations of the test substance at 21° C. for 60 min.Incubation is then carried out in the presence of 1 &#956;M &#945;-bungarotoxin or 100 &#956;M nicotine or 10 &#956;M MLA (methyllycaconitine). The incubation is stopped by adding 4 ml of PBS (20 mM Na2HPO4, 5 mM KH2PO4, 150 mM NaCl, pH 7.4, 4° C.) and filtering through type A/E glass fiber filters (Gelman Sciences) which have previously been placed in 0.3% (v/v) polyethyleneirnine (PEI) for 3 h. The filters are washed twice with 4 ml of PBS (4° C.), and the bound radioactivity is determined by scintillation measurement. All the assays are carried out in triplicate. The dissociation constant Ki of the test substance was determined from the IC50 of the compounds (concentration of the test substance at which 50% of the ligand bound to the receptor is displaced), the dissociation constant KD and the concentration L of [3H]-methyllycaconitine using the equation K1=IC50/(1+L/KD).In place of [3H]-methyllycaconitine it is also possible to employ other &#945;7 nAChR-selective radioligands such as, for example, [125I]-&#945;-bungarotoxin or nonselective nAChR radioligands together with inhibitors of other nAChRs.The in vitro data for the effects of the compounds of the invention show a Ki of <300 nM.
379	2	5-HT3 Receptor Assay	Membranes from HEK293 cells which express recombinant human 5-HT3 receptor (RB-HS3, Receptor Biology, Inc., MD, USA) are diluted in accordance with the manufacturer&#39;s instructions in incubation buffer (50 mM tris base, pH 7.4, 5 mM MgCl2, 0.5 mM EDTA, 0.1% (w/v) ascorbic acid, 10 &#956;M pargyline and incubated in a volume of 200 &#956;l (amount of membrane protein 3 &#956;g) in the presence of 0.5 nM of the selective 5-HT3 receptor radio ligand [3H]-GR65630 (NET 1011, Du Pont) and various concentrations of the test substance at 21° C. for 60 min. The nonspecific binding is determined by incubation in the presence of 100 &#956;M 5-HT (5-hydroxytryptamine). The incubation is stopped by filtering through type A/E glass fiber filters (Gelman Sciences) or GF/B filters (Whatman) which have previously been placed in 0.3% (v/v) polyethyleneimine (PEI) for at least 1 h. The filters are washed three times with 3 ml of washing buffer (50 mM Tris-HCl, pH 7.4; 4° C.), and the bound radioactivity is determined by scintillation measurement. All the assays are carried out in triplicate. The dissociation constant Ki of the test substance is determined from the IC50 of the compounds (concentration of the test substance at which 50% of the ligand bound to the receptor is displaced), the dissociation constant KD and the concentration L of [3H]GR65630 (Ki=IC50/(1+L/KD)).
380	1	Wee-1 kinase Assay	In the measurement of Wee-1 activity, a commercial peptide Poly(Lys Tyr(4:1)) hydrobromide was purchased from Sigma Aldrich and used as the substrate. Activated Wee-1 kinase was purchased from Invitrogen (PV3817) and an ADP-Glo luminescent kit was purchased from Promega.All reactions took place in 60 &#956;L volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL bovine serum albumin and 2 mM DTT. Compounds were serially diluted in buffer and 5 &#956;L of each concentration pipetted into a white 384 well plate (Sigma Aldrich M6186). A 5 &#956;L aliquot of the Wee-1 enzyme was added to each well and the plate centrifuged for 1 min to ensure mixing of the enzyme and inhibitor.The plate was incubated at room temperature for 30 minutes before the addition of 2.0 &#956;g/mL of substrate and 30 &#956;M ATP in a 5 &#956;L aliquot. The plate was centrifuged for one minute and incubated for 1 h at RT.15 &#956;L of ADP-Glo stop reagent was added to each well to quench the reaction and deplete unconverted ATP. The plate was incubated for a further 40 min in the dark at RT.30 &#956;L of ADP-Glo kinase detection reagent was added to each well, converting ADP to ATP, catalysing the generation of luciferin by luciferase. The plate was shaken for 1 min, and incubated in the dark for an additional hour.Luminescence from each well was detected using the Biotek Synergy4 HD plate reader and the percentage inhibition of kinase activity calculated for each inhibitor tested. Positive (kinase only) and negative (no kinase) controls were added to each plate to ensure specific interaction of kinase and inhibitor. The IC50 concentration for each inhibitor was calculated by plotting the percentage kinase inhibition against concentration of inhibitor and the curve generated by non-linear regression fitting.
380	2	hERG Activity Assay	Compounds were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophysiology at Essen BioScience. 8-Point concentration-response curves of the effect of compound on hERG current as a percentage of pre-compound signal were generated using 3-fold serial dilutions from 11 &#956;M and results are reported as IC50 in &#956;M.
381	1	Kinase Assays	A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value determined can vary depending on the particular assay used. Nonetheless the rank order of IC50 for a set of compounds will typically be similar from one assay to another. (The true affinity constant for an inhibitor binding to an enzyme, Ki, can of course also be used for the same purposes as described herein for IC50). With respect to the kinases that are targeted by the compounds disclosed herein, kinase activity can be assayed, without limitation, as consumption of ATP or as incorporation of phosphate into a substrate. For example, the assay used in Example 76 assesses consumption of ATP based on luminescent detection of ADP. As an alternate example, the assay used in Example 78 assesses incorporation of phosphate based on the radiologic detection of 33P-labeled artificial substrates. Myriad other kinase assays are known in the art many of which are commercially available either as a kit or a service and one of skill in the art will recognize their particular usefulness for generating IC50 data.
13120	1	ATR/ATRIP Kinase Assay	The ATR/ATRIP enzymatic assay is performed as a TR-FRET-(HTRF™, Cisbio Bioassays) based 384-well assay. In a first step, purified human recombinant ATR/ATRIP (human ATR, full length, GenBank ID: NM_001184.3, and human ATRIP, full length, GenBank ID AF451323.1, co-expressed in a mammalian cell line) is incubated in assay buffer for 15 minutes at 22° C. with test compound at different concentrations or without test compound (as a negative control). The assay buffer contains 25 mM HEPES pH 8.0, 10 mM Mg(CH3COO)2, 1 mM MnCl2, 0.1% BSA, 0.01% Brij® 35, and 5 mM dithiothreitol (DTT). An Echo 555 (Labcyte) is used for dispensing of compound solutions. Then, in a second step, purified human recombinant cmyc-tagged p53 (human p53, full length, GenBank ID: BC003596, expressed in Sf21 insect cells) and ATP are added and the reaction mixture is incubated for 25-35 minutes, typically 25 minutes, at 22° C. The pharmacologically relevant assay volume is 5 μl. The final concentrations in the assay during incubation of the reaction mixture are 0.3-0.5 nM, typically 0.3 nM, ATR/ATRIP, 50 nM p53, and 0.5 μM ATP. The enzymatic reaction is stopped by the addition of EDTA. The generation of phosphorylated p53 as a result of the ATR mediated reaction in the presence of ATP is detected by using specific antibodies [labeled with the fluorophores europium (Eu) as donor and d2 as acceptor (Cisbio Bioassays)] enabling FRET. For this purpose, 2 μl of antibody-containing stop solution (12.5 mM HEPES pH 8.0, 125 mM EDTA, 30 mM sodium chloride, 300 mM potassium fluoride, 0.006% Tween-20, 0.005% Brij® 35, 0.21 nM anti-phospho-p53(Ser15)-Eu antibody, 15 nM anti-cmyc-d2 antibody) are added to the reaction mixture. Following signal development for 2 h the plates are analyzed in an EnVision (PerkinElmer) microplate reader using the TRF mode with laser excitation. Upon excitation of the donor europium at 340 nm the emitted fluorescence light of the acceptor d2 at 665 nm as well as from the donor Eu at 615 nm are measured. The amount of phosphorylated p53 is directly proportional to the ratio of the amounts of emitted light i.e. the ratio of the relative fluorescence units (rfu) at 665 nm and 615 nm. Data are processed employing the Genedata Screener software. In particular, IC50 values are determined in the usual manner by fitting a dose-response curve to the data points using nonlinear regression analysis. 
13121	1	3β-HSD1 Inhibition Assay	DHEA and NAD+ were enzymatically converted to androstenedione and NADH, respectively. Final NADH concentrations were spectroscopically quantified using a commercially available Amplite™ Colorimetric NADH Assay Kit which utilizes an NADH probe with an absorbance wavelength of 460 nm. Enzymatic assays with a final volume of 25 μL were ran in a 384-well, Greiner Bio-One UV-STAR® assay plate in 50 mM TRIS pH 8.0 assay buffer. Compound IC50 values were experimentally determined in duplicate using a 10-point concentration response curve (CRC) with a top concentration of 50 μM and a bottom concentration of 25 pM. Compound stocks at 10 mM in DMSO were serial diluted 5-fold in DMSO to generate an ECHO® compatible source plate. 125 nL of DMSO, Trilostane, or serial diluted compounds were then acoustically transferred into an empty UV-STAR® assay plate to give a final assay concentration of 0.5% v/v DMSO. The stamp volume and dilution scheme can be adjusted to accommodate compound potency. The assay can tolerate up to a 5% v/v DMSO final assay concentration. 15 μL of 1 μg purified 3β-HSD1 and 50 μM DHEA (final assay volume concentration) was dispensed per well into the stamped plate, centrifuged for 1 minute at 1000 RPM, covered, and allowed to incubate for 15 minutes at room temp. Enzymatic reactions were initiated upon the addition of 10 μL of NAD+ diluted in assay buffer to give a final assay volume concentration of 2 mM. The assay plate was centrifuged for 1 minute at 1000 RPM, covered, and incubated at room temperature for 1 hour. 25 μL Amplite™ Colorimetric NADH Assay Kit detection solution (prepared as recommended) was added to all reaction wells, the plate centrifuged for 1 minute at 1000 RPM, covered, and incubated for 15 minutes. Final absorbance values (λ=460 nm) are spectroscopically determined on BioTek® Cytation5 or Synergy4 plate readers. The background signal was determined by averaging 32 fully inhibited reactions (Trilostane treated) and subtracted across the plate. From the background subtracted values, the non-inhibited enzyme signal (DMSO treated) was averaged from 32 control reactions.
13122	1	ALPK1 In Vitro Kinase Assay	In brief, dose-response studies were performed in 384-well assay plates. Each well contained 0.1 mg TIFA, ALPK1 (2 nM final concentration in reaction mixture) and kinase buffer (100 mM of HEPES pH 7.4, 4 mM DTT, 40 mM MgCl2, 20 mM of β-Glycerol phosphate disodium salt, 0.4 mM of Na3 VO4, 0.16 mg/mL). Titrations of the test compounds were prepared in dimethylsulphoxide (DMSO). The reaction was initiated by addition of ATP and ADP-Heptose.For HTRF, samples were incubated with a Tb cryptate-labeled anti-HA antibody for capturing HA-tagged proteins according to the manufacturer&#39;s instructions (PerkinElmer™, CisBio™) and the fluorescence signal was quantified (Tecan Infinite F NANO+). HTRF signals were calculated as the HTRF ratio (ratio of fluorescence measured at 665 nm and 620 nm)×104 (thereby using the signal at 620 nm as an internal standard).All compounds exhibited a dose-dependent decrease in TIFA phosphorylation in this assay. IC50 values were determined using 3- or 4-parameter logistic equation using GraphPad Prism version 6.00. The reference compound, A027, was used as a positive control for each plate.
383	1	TR-FRET In-Vitro Binding Assays for BRD2, BRD3, and BRD4	All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 &#956;l per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5 &#956;l per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;l per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 3 nM Eu-labeled anti-His6 antibody, 21 nM streptavidin-allophycocyanin) were added. After 35 minutes incubation at 30° C., plates were measured in a Perkin Elmer EnVision multilabel reader. Concentrations causing 50% inhibition (1050) values were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
383	2	AlphaScreen In-Vitro Binding Assay for CREBBP	In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the CREBBP assay with a similar protocol, however using AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, Perkin Elmer) as detection readout instead of TR-FRET. The assay was started by stepwise addition of 4.5 &#956;l per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 324 nM His-CREBBP (1081-1197) (custom production at Viva Biotech Ltd.)) and 4.5 &#956;l per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 120 nM acetyl-histone H4 (AcK 5, 8, 12) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;l per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 45 &#956;g/ml Ni-chelate acceptor beads, 45 &#956;g/ml streptavidin-donor beads) (Perkin Elmer)) were added. After 60 minutes incubation at room temperature, plates were measured in a Perkin Elmer EnVision multilabel reader. IC50 values were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
384	2	FLIPR Assays	Representative Compounds of the Invention have been tested in the FLIPR, FLIPRTETRA, and/or electrophysiology (EP) assays for sodium channel blocking activity.
385	1	AKR1C3-Inhibitory Action	For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2.0 &#956;l of a solution of AKR1C3 in assay buffer [50 mM potassium phosphate buffer pH 7, 1 mM DTT, 0.0022% (w/v) Pluronic F-127, 0.01% BSA (w/v) and protease inhibitor cocktail (complete, EDTA-free Protease Inhibitor Cocktail from Roche)] were added and the mixture was incubated for 15 min, in order to enable preliminary binding of the substances to the enzyme prior to the enzyme reaction. Then the enzyme reaction was started by adding 3 &#956;l of a solution of NADPH (16.7 &#956;M&#8594;final concentration in assay volume 5 &#956;l is 10 &#956;M) and coumberone (0.5 &#956;M&#8594;final concentration in assay volume 5 &#956;l is 0.3 &#956;M) in assay buffer and the resulting mixture was incubated at 22° C. for the reaction time of 90 min. The concentration of the AKR1C3 was matched to the respective activity of the enzyme preparation and set such that the assay worked within the linear range. Typical concentrations were in the region of 1 nM. The reaction was stopped by adding 5 &#956;l of a stop solution consisting of the inhibitor EM-1404 [F. Labrie et al. U.S. Pat. No. 6,541,463, 2003](2 &#956;M&#8594;final concentration in assay volume 5 &#956;l is 1 &#956;M). Subsequently, the fluorescence of coumberol was measured at 520 nm (excitation at 380 nm) with a suitable measuring instrument (Pherastar from BMG Labtechnologies). The intensity of the fluorescence was used as a measure for the amount of coumberol formed and hence for the enzyme activity of AKR1C3. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components but no enzyme=100% inhibition). Typically, the test substances were tested on the same microtitre plate at 11 different concentrations in the range from 20 &#956;M to 96.8 &#956;M (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.5 &#956;M, 0.15 &#956;M, 44 nM, 12.9 nM, 3.8 nM, 1.1 nM, 0.3 nM and 96.8 &#956;M; the dilution series were prepared before the assay at the level of the 100-fold concentrated solution by serial 1:3 dilutions with 100% DMSO) in twin values for each concentration, and IC50 values were calculated by a 4-parameter fit.
387	1	Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)	Transfer assays are performed in a 96-well v-bottom polypropylene plate. For the RTA using recombinant CETP (2% RTA), an assay cocktail is prepared with the final concentrations 128 &#956;g/mL HDL, 20 nM rCETP, 2% human serum, and 1×CETP buffer. 1 &#956;L of each test compound diluted in DMSO is added to 47 &#956;L of assay cocktail per well and incubated at 37° C. for 1 hour. To initiate the transfer reaction, 2 &#956;L radiolabeled LDL is added. After an additional 60 min of incubation at 37° C., the transfer action is terminated by precipitation of LDL with an equal volume of 20% W/V PEG 8000. The plates are centrifuged at 2000 rpm for 30 minutes at 4° C. A 40 &#956;L aliquot of the HDL-containing supernatant is transferred to a Packard Optiplate with 200 &#956;L of MicroScint 20. After mixing, plates are counted by liquid scintillation. Counts present in the supernatant for blanks (wells containing only HDL acceptor, CETP buffer and DMSO) are subtracted from those containing test compounds and used to correct for non-specific transfer.For the transfer assay using endogenous CETP from serum (95% RTA), the same procedure is used except that human serum is added such that a final concentration of serum of 95% of the total assay volume is achieved, yielding a concentration of approximately 15 nM endogenous CETP in the assay. This is then combined with HDL and CETP buffer and the reaction proceeds as above and is terminated as described.Comparison of the counts of samples with inhibitors to an uninhibited (DMSO only) positive control yield a percent inhibition. A plot of percent inhibition vs. log of inhibitor concentration, fit to a Sigmoidal 4 parameter equation is used to calculate IC50.
388	1	Inhibition Assay of BTK Kinase	The enzyme reaction mixture of BTK wild type standard HTRF assay contained 1 nM BTK wild type, 1 &#956;M biotin-TK1 peptide, and 30 &#956;M ATP in a buffer. The enzyme reaction were carried out at room temperature for 60 minutes. 5 &#956;l of 0.2 M EDTA were added to quench the reaction and then the inhibitors (5 &#956;l) were added at final concentrations of 2 nM antibody and 62.5 nM XL665. The plates were incubated at room temperature for 60 minutes and then read in the Envision plate reader. The readouts were transformed into inhibition rate % by the equation of (Min Ratio)/(Max&#8722;Min)*100%. Hence the IC50 data of test compounds were generated by using four parameters curve fitting.
390	1	Fluorometric PAI-1/uPA IC50 Plate Assay	To determine the efficacy of various synthesized compounds as PAI-1 inhibitors, a fluorometric plate assay was carried out to measure the half maximal inhibitory concentration (IC50) of these compounds on recombinant active human PAI-1 in vitro. An IC50 is a measure of the effectiveness of a compound in inhibiting biological or biochemical function. Stated another way, IC50 represents the concentration of a drug that is required for 50% inhibition in vitro. The IC50 of various compounds was measured using a fluorometric plate assay. PAI-1 inhibitor compounds were dissolved in DMSO to a final concentration of (10-50 mM), depending upon solubility. Compounds were then diluted in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, pH7.4) containing 10% DMSO and a dilution series (from 0 to 1000 uM depending on solubility) was prepared. 80 &#956;L of compound was added per well to a 96-well black, opaque microplate in duplicate. 10 &#956;L of 20 nM Recombinant active human PAI-1 (Molecular Innovations) in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, 10% DMSO, pH 7.4), or physiologic buffer with 15 mg/mL, or physiologic buffer with 10% human plasma, was added and the mixture was agitated for 15 minutes at room temperature. 10 &#956;L of 25 nM uPA (Rheotromb ) was added to each reaction well and the plate was agitated for an additional 30 minutes at room temperature. Tripeptide aminomethylcoumarin Gly-Gly-Arg-AMC (Calbiochem) fluorogenic substrate (100 &#956;L of 100 &#956;M) was then added and residual uPA activity was determined based upon cleavage of this substrate. The rate of AMC release by uPA (fluorescence) was measured at an excitation wavelength of 370 nm and an emission wavelength of 440 nm. Controls included PAI-1 and uPA in the absence of compound and uPA alone. Percent PAI-1 inhibition was calculated using the following formula: [(uPA alone-uPA/PAI-1+ compound)/(uPA alone-PAI-1/uPA)]*100%. The IC50 was calculated using Graphit (IC50 0-100%).
390	2	Fluorometric PAI-1/uPA IC50 Plate Assay (1.5% BSA buffer)	To determine the efficacy of various synthesized compounds as PAI-1 inhibitors, a fluorometric plate assay was carried out to measure the half maximal inhibitory concentration (IC50) of these compounds on recombinant active human PAI-1 in vitro. An IC50 is a measure of the effectiveness of a compound in inhibiting biological or biochemical function. Stated another way, IC50 represents the concentration of a drug that is required for 50% inhibition in vitro. The IC50 of various compounds was measured using a fluorometric plate assay. PAI-1 inhibitor compounds were dissolved in DMSO to a final concentration of (10-50 mM), depending upon solubility. Compounds were then diluted in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, pH7.4) containing 10% DMSO and a dilution series (from 0 to 1000 uM depending on solubility) was prepared. 80 &#956;L of compound was added per well to a 96-well black, opaque microplate in duplicate. 10 &#956;L of 20 nM Recombinant active human PAI-1 (Molecular Innovations) in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, 10% DMSO, pH 7.4), or physiologic buffer with 15 mg/mL, or physiologic buffer with 10% human plasma, was added and the mixture was agitated for 15 minutes at room temperature. 10 &#956;L of 25 nM uPA (Rheotromb ) was added to each reaction well and the plate was agitated for an additional 30 minutes at room temperature. Tripeptide aminomethylcoumarin Gly-Gly-Arg-AMC (Calbiochem) fluorogenic substrate (100 &#956;L of 100 &#956;M) was then added and residual uPA activity was determined based upon cleavage of this substrate. The rate of AMC release by uPA (fluorescence) was measured at an excitation wavelength of 370 nm and an emission wavelength of 440 nm. Controls included PAI-1 and uPA in the absence of compound and uPA alone. Percent PAI-1 inhibition was calculated using the following formula: [(uPA alone-uPA/PAI-1+ compound)/(uPA alone-PAI-1/uPA)]*100%. The IC50 was calculated using Graphit (IC50 0-100%). It is in 1.5% BSA buffer.
390	3	Fluorometric PAI-1/uPA IC50 Plate Assay (10% plasma buffer)	To determine the efficacy of various synthesized compounds as PAI-1 inhibitors, a fluorometric plate assay was carried out to measure the half maximal inhibitory concentration (IC50) of these compounds on recombinant active human PAI-1 in vitro. An IC50 is a measure of the effectiveness of a compound in inhibiting biological or biochemical function. Stated another way, IC50 represents the concentration of a drug that is required for 50% inhibition in vitro. The IC50 of various compounds was measured using a fluorometric plate assay. PAI-1 inhibitor compounds were dissolved in DMSO to a final concentration of (10-50 mM), depending upon solubility. Compounds were then diluted in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, pH7.4) containing 10% DMSO and a dilution series (from 0 to 1000 uM depending on solubility) was prepared. 80 &#956;L of compound was added per well to a 96-well black, opaque microplate in duplicate. 10 &#956;L of 20 nM Recombinant active human PAI-1 (Molecular Innovations) in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, 10% DMSO, pH 7.4), or physiologic buffer with 15 mg/mL, or physiologic buffer with 10% human plasma, was added and the mixture was agitated for 15 minutes at room temperature. 10 &#956;L of 25 nM uPA (Rheotromb ) was added to each reaction well and the plate was agitated for an additional 30 minutes at room temperature. Tripeptide aminomethylcoumarin Gly-Gly-Arg-AMC (Calbiochem) fluorogenic substrate (100 &#956;L of 100 &#956;M) was then added and residual uPA activity was determined based upon cleavage of this substrate. The rate of AMC release by uPA (fluorescence) was measured at an excitation wavelength of 370 nm and an emission wavelength of 440 nm. Controls included PAI-1 and uPA in the absence of compound and uPA alone. Percent PAI-1 inhibition was calculated using the following formula: [(uPA alone-uPA/PAI-1+ compound)/(uPA alone-PAI-1/uPA)]*100%. The IC50 was calculated using Graphit (IC50 0-100%). It is in 10% plasma buffer.
390	4	Fluorometric PAI-1/tPA IC50 Plate Assay at pH 7.8	PAI-1 inhibitor compounds were dissolved in DMSO to a final concentration of (10-50 mM), depending upon solubility. Compounds were then diluted in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, pH7.8) containing (10% DMSO and a dilution series (from 0 to 1000 &#956;M depending on solubility) was prepared. 80 &#956;L of compound was added per well to a 96-well black, opaque microplate in duplicate. 10 &#956;L of 20 nM recombinant active human PAI-1 (Molecular Innovations) in physiologic buffer, as set out above, was added per well and the mixture was agitated for 15 minutes at room temperature. 10 uL of 25 nM human tissue type PA (tPA) (Activase (alteplase), Genentech) was added per well and the plate was agitated for an additional 30 minutes at room temperature. Tissue type PA activity in each reaction mixture was determined by adding Phe-Gly-Arg-AMC fluorogenic substrate (100 &#956;L of 100 &#956;M) (Centerchem). The rate of AMC release by tPA was measured at an excitation wavelength of 370 nm and an emission wavelength of 440 nm. Controls included PAI-1 and tPA in the absence of compound and tPA alone. Percent PAI-1 inhibition was calculated using the following formula: [(tPA alone-tPA/PAI-1+ compound)/(tPA alone-PAI-1/tPA)]*100%. The IC50 is calculated using Graphit (IC50 0-100%).
390	5	Fluorometric ATIII/alphaIIa IC50 Plate Assay at pH 7.8	PAI-1 inhibitor compounds were dissolved in DMSO to a final concentration of (10-50 mM), depending upon solubility. Compounds were then diluted in physiologic buffer (40 mM HEPES, 100 mM NaCl, 0.05% Tween-20, pH7.8) containing (10% DMSO and a dilution series (from 0 to 1000 &#956;M depending on solubility) was prepared. 80 &#956;L of compound was added per well to a 96-well black, opaque microplate in duplicate. 10 &#956;L of 20 nM recombinant active anti-thrombin III (ATIII) (Molecular Innovations), a PAI-1-related protein, in physiologic buffer, as set out above, was added and the mixture was agitated for 15 minutes at room temperature. 10 &#956;L of 25 nM human &#945;-Thrombin (&#945;IIa) (Haematologic Technologies) was added to each reaction well and the plate was agitated for an additional 30 minutes at room temperature. 100 &#956;L of 100 &#956;M fluorogenic, tripeptide aminomethylcoumarin benzoyl Phe-Val-Arg-AMC substrate was then added and residual &#945;IIa activity was determined based upon cleavage of this substrate. The rate of AMC release by &#945;IIa was measured at an excitation wavelength of 370 nm and an emission wavelength of 440 nm. Controls included PAI-1 and &#945;IIa in the absence of compound and &#945;IIa alone. Percent PAI-1 inhibition is calculated using the following formula: [(&#945;IIa alone-&#945;IIa/PAI-1+ compound)/(&#945;IIa alone-PAI-1/&#945;IIa)]*100%. The IC50 is calculated using Graphit (IC50 0-100%).The invention has been described in terms of particular embodiments found or proposed to comprise preferred modes for the practice of the invention. It will be appreciated by those of ordinary skill in the art that, in light of the disclosure, numerous modifications and changes can be made in the particular embodiments exemplified without departing from the intended scope of the invention. Therefore, it is intended that the appended claims cover all such equivalent variations which come within the scope of the invention as claimed.
393	1	BCA Protein Assay	Inhibitory activity evaluation was performed by multi-screen (registered trademark) HTS 96-well plate (Millipore) using the cell membrane fraction stably expressing S1P1 obtained by the above operation. 25 &#956;L of assay solution (50 mM Tris, 100 mM sodium chloride, 5 mM magnesium chloride, 1 mM EDTA, 1 mM DTT (dithiothreitol), 10 &#956;M GDP (guanosine diphosphate) and 0.5% BSA (bovine serum albumin), pH 7.4), 25 &#956;L of test compounds solution diluted by assay solution and 25 &#956;L of the membrane fraction (0.2 &#956;g protein/&#956;L) were added to each well, and the mixture was gently shaken at room temperature: for 30 minutes. Then, 25 &#956;L of 35S-GTP, and 25 &#956;L of 50 nM S1P1 receptor selective agonist (1-[4-(4-phenyl-5-trifluoromethylthiophen-2-ylmethoxy)benzyl]azetidine-3-carboxylic acid, J. Med. Chem. , 2004, vol. 47, pp. 6662-6665, compound 18) were added to each well, respectively, and it was reacted at room temperature for 60 minutes. After the reaction, a reaction solution of each well was suction-filtered. After suction filtration, ice-colded wash solution (50 mM Tris, 100 mM sodium chloride, 5 mL magnesium chloride and 1 mM EDTA, pH 7.4) was added to each well, and moreover filters were washed by suction filtration. This wash procedure was performed three times. A bottom of the plate containing the filters was dried at 60° C. After drying, 30 &#956;L of MicroScinti-40 (PerkinElmer) was added to each well, and the radioactivity adsorbed on the filter was determined by TopCount NXT (registered trademark) (PerkinElmer) after shaking for 30 minutes at room temperature.
395	1	FLIPR Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones
396	1	PARP-1 ELISA Assay	The kit is based on ELISA. 10 &#956;l sample/well, 15 &#956;l PARP enzyme/well and PARP cocktail 25 &#956;l/well with a total volume of 50 &#956;l/well were added into a 96-well plate coated with histone. Meanwhile, blank control (without enzyme and sample) and negative control (without sample) were set. The plate was incubated at room temperature for 60 min; washed with 1×PBS (+0.1% TritonX-100) for twice; Strep-HRP 50 &#956;l/well was added and incubated at room temperature for 60 min; and then washed with 1×PBS (+0.1% TritonX-100) for twice, chemiluminescence substrate 100 &#956;l/well was added for measurement. The inhibition rate was calculated according to the value of chemiluminiscence intensity RLU (relative light unit), inhibition rate=[1&#8722;(RLU sample&#8722;RLU blank)/(RLU negative&#8722;RLU blank)]×100%. Each sample was gradiently diluted into eight concentrations, each concentration was set in a single well, IC50 values were calculated using 4 Parameter Logistic Model in XLfit software according to the inhibition rate of samples.
398	1	Human P2X3 Receptor Inhibition Assay	Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;l, of DMSO solutions containing different concentrations of the test, compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1.% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 3 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and Ltd.).
398	2	Rat P2X3 Receptor Inhibition Assay	Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum. 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. In transiently expressing system, the C6BU-1 cells were seeded in a 90-well microliter plate at a concentration of 2500 cells/well and cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The plasmid was transfected into the cells using transfection reagent FuGENE6 (Roche). The transfected cells were cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (pH 7.5) containing 20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 mM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 3 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and XLfit (idbs Ltd.).
398	3	Rat P2X3 Receptor Inhibition RSA Assay	Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-well microtiter plate at a :concentration of 8000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. In transiently expressing system, the C6BU-1 cells were seeded in a 96-well microtiter plate at a concentration of 2500 cells/well and cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The plasmid was transfected into the cells using transfection reagent FuGENE6 (Roche). The transfected cells were cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (pH 7.5) containing 20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% carbon dioxide atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing 1% RSA (final concentrations) and different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.0 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 3 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and XLfit (idbs Ltd.).
400	1	P. aeruqinosa LpxC Inhibition Assay	The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, expression and purification of UDP-3-O-acyl-GIcNAc deacetylase from Pseudomonas aeruginosa: a metalloamidase of the lipid A biosynthesis pathway). The LC-MS/MS method for quantitation of LpxC product was developed using an Agilent 1200 Capillary HPLC system coupled to an Applied Biosystems MDS Sciex 4000QTRAP mass spectrometer. Both instruments are controlled using the Applied Biosystems MDS Sciex Analyst software. LpxC reaction product (UDP-3-O (R-3-hydroxyacyl)-glucosamine) was produced by hydrolysis of LpxC substrate catalyzed by P.a. LpxC and purified using reversed phase chromatography on a Phenomenex Luna C18(2) 4.6 50 mm column. An LpxC product calibration curve was generated to evaluate the sensitivity and dynamic range of the LC-MS/MS method. Briefly, compounds are pre-incubated with 1 nM P. aeruginosaLpxC for 30 min. at room temperature. Reactions are initiated by the addition of 2 M UDP-3-O (R-3-hydroxydecanoyl)-GIcNAc. Reactions are conducted in a 384-well plate with a total volume of 50 L in each well containing 50 mM Sodium phosphate pH 7.5, 0.005% Trition X-100 for 20 min at room temperature. After quenching with 1.8% HOAc (5 L of a 20% HOAc added to each well), reaction mixtures are analyzed using the LC-MS/MS method and peak areas are transformed into product concentration using a LpxC product calibration curve. Total activity (0% inhibition control) is obtained from reactions with no inhibitors and 100% inhibition control is the background using quenched samples before reaction starts. For IC50 determinations, peak areas are converted to percent inhibition in Microsoft Excel. Percent inhibition values are plotted vs. log compound concentration using XLfit. Data is fit to the four-parameter logistic equation using the non-linear regression algorithm in XLfit to return the IC50 and hill slope values.
404	1	Malachite Green ATPase assay	Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contamination with inorganic phosphate, precautions should be taken with solutions and apparatus used in the assays. Glassware and pH meters are rinsed with double distilled or deionised water before use and, wherever possible, plastic ware should be used.
404	2	Fluorescence Polarization Assay	Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecule the more polarized the fluorescence emission.
406	1	In Vitro Enzyme Inhibition Assay	Compounds in 100% DMSO were added to assay plates by acoustic dispensing. PI3K&#946; was added in a Tris buffer (50 mM Tris pH7.4, 0.05% CHAPS, 2.1 mM DTT, and 10 mM MgCl2) and allowed to preincubate with compound for 20 minutes prior to addition of substrate solution containing PIP2 and ATP. The enzyme reaction was stopped after 80 minutes by the addition of Kinase Glo detection solution. Plates were left for 30 minutes at room temperature then read on a Pherastar Instrument (Luminescence ATP 384 program) setting gain on max well. The final concentration of DMSO, ATP and PIP2 in the assay were, 1%, 8 &#956;M, and 80 &#956;M respectively.
409	1	MPDE10A7 Enzyme Activity	An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 L of serial diluted PDE10A (BPS Bioscience, San Diego, Calif.) or tissue homogenate was incubated with equal volumes of diluted fluorescein labeled cAMP or cGMP for 60 min in 384-well polystyrene assay plates (Corning, Corning, N.Y.) at room temperature. After incubation, the reaction was stopped by adding 60 L of diluted binding reagents and was incubated for 3 hours to overnight at room temperature. The plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer. The data were analyzed with GraphPad Prism (La Jolla, Calif.). Enzyme Inhibition. To check the inhibition profile, 5 &#956;L of serial diluted compounds were incubated with 5 &#956;L of diluted PDE10 enzyme (BPS Bioscience, San Diego, Calif.) or tissue homogenate in a 384-well polystyrene assay plate (Corning, Corning, N.Y.) for 30 min at room temperature. After incubation, 10 L of diluted fluorescein labeled cAMP or cGMP substrate were added and incubated for 60 min at room temperature. The reaction was stopped by adding 60 &#956;L of diluted binding reagents and plates were read on an Envision (Perkin Elmer, Waltham, Mass.) for time resolved fluorescence resonance energy transfer.
411	1	Thallium Flux Assay	A Thallium Flux Assay was performed on each of the final product compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application WO 2013/062900.
412	1	PFKFB4 Assay	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFK-2/BPase-2) is a bi-functional enzyme that catalyses the formation and degradation of fructose-2,6-bisphosphate (F-2,6-P2) (For reviews see e.g. Pilkis et al., (1995) Annu Rev. Biochem. 64, 799-835; and Okar et al., (2001) Trends Biochem. Sci. 26, 30-5). The relative kinase (formation) and phosphatase (degradation) activities of the bi-functional enzymes PFKFB3 and PFKFB4 control the intracellular levels of this regulator (F-2,6-P2), which acts as an allosteric activator of glycolysis. Both the relative activities as well as the kinase to phosphatase ratios differ between the iso forms of the bi-functional enzymes, referred to as PFKFB1, PFKFB2, PFKFB3 and PFKFB4. Intracellular F-2,6-P2 levels are consequently controlled by variable tissue expression of these isoforms, including splice variants or post-translational modifications (see e.g. Rider et al. (2007) Biochem J. 381, 561-579).
413	1	Fluo-8 No Wash Calcium Assa	Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cells stably transfected with P2X7 receptor using Screen Quest Fluo-8 No Wash Calcium Assay Kit (AAt Bioquest, cat. 36316). Once inside the cell, the lipophilic blocking groups of Fluo-8 are cleaved by non-specific cell esterases, resulting in a negatively-charged fluorescent dye that stays inside cells. Its fluorescence increases upon binding to calcium. When HEK-293/P2X7 cells are stimulated with Bz-ATP, Ca2+ enters the cells and the fluorescence of Fluo-8 NW increases. The dye has an absorption spectrum compatible with excitation at 488 nm by argon laser sources and its emission wavelength is in the range of 515-575 nm.HEK-293 cells stably transfected with P2X7 receptor were seeded overnight in growth medium at 10,000 to 20,000 cells/well in 384-well plate. 24 hours later, the medium was removed and the cells were pre-loaded at RT for 1 hour with 20 &#956;L/w of Fluo-8 NW. Then 10 &#956;L/w of test compounds and reference antagonist A438079 at 3×-concentration were injected with the FLIPRTETRA and the kinetic response over a period of five minutes was monitored. A second injection of 15 &#956;L/w of 3× reference activator (Bz-ATP at EGO was performed with the FLIPRTETRA and the signal of the emitted fluorescence was recorded for additional three minutes. All the experiment was carried out in a Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+). The effect of the test compounds was measured as percent inhibition vs the reference antagonist and IC50 values were calculated accordingly.
413	2	YO-PRO-1 Uptake Assay	YO-PRO -1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-PRO-1 to enter through the dilated or "large pore form" of P2X7 receptor and to bind to intracellular DNA whereupon it increases many fold its fluorescence intensity. The dye has an absorption spectrum compatible with excitation at 488 nm by argon laser sources and its emission wavelength is in the range of 515-575 nm. The aim of this assay was to validate the interaction of antagonists with P2X7 receptor using an alternative readout to Ca2+-sensitive fluorescent dyes.HEK-293 cells stably transfected with P2X7 receptor were seeded overnight in growth medium at 20,000 cells/well in 384-well plate. 24 hours later, the medium was removed, the cells were washed with Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+) and then pre-loaded with 20 &#956;L/w of 5 &#956;M YO-PRO-1 dye. FLIPRTETRA fluorescence measurement immediately started. Then, 10 &#956;L/w of test compounds and reference antagonist A438079 at 3×-concentration were injected with the FLIPRTETRA and the kinetic response over a period of five minutes was monitored. A second injection of 10 &#956;L/w of 3× Bz-ATP EC80 (30 &#956;M) was performed with the FLIPRTETRA and the signal of the emitted fluorescence was recorded for additional 60 minutes. All the experiment was carried out with a Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+).The effect of the test compounds was measured as percent inhibition vs the reference antagonist and IC50 values were calculated accordingly.
414	1	LSD1 Inhibitory Assay	A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the LSD1 enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and LSD1 enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
414	2	MAO-A Inhibitory Assay	A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-A enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-A enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
414	3	MAO-B Inhibitory Assay	A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-B enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-B enzyme non-addition conditions is indicated as blank. A concentration necessary for achieving 50% inhibitory rate was taken as IC50 value.
415	1	HIV-1 Reverse Transcriptase Inhibitory Assay	The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sigma Aldrich, USA, 5&#8242;-biotin-ttg aaa tga ctg cgg tac ggc-3&#8242;), SEQ ID NO. 1 to the nucleotide RNA template t500 (derived from hepatitis C virus [HCV] sequence, IBA, Germany, 5&#8242;-GAG GUU CAG GUG GUU UCC ACC GCA ACA CAA UCC UUC CUG GCG ACC UGC GUC AAC GGC GUG UGU UGG ACC GUU UAC CAU GGU GCU GGC UCA AAG ACC UUA GCC GGC CCA AAG GGG CCA AUC ACC CAG AUG UAC ACU AAU GUG GAC CAG GAC CUC GUC GGC UGG CAG GCG CCC CCC GGG GCG CGU UCC UUG ACA CCA UGC ACC UGU GGC AGC UCA GAC CUU UAC UUG GUC ACG AGA CAU GCU GAC GUC AUU CCG GUG CGC CGG CGG GGC GAC AGU AGG GGG AGC CUG CUC UCC CCC AGG CCU GUC UCC UAC UUG AAG GGC UCU UCG GGU GGU CCA CUG CUC UGC CCU UCG GGG CAC GCU GUG GGC AUC UUC CGG GCU GCC GUA UGC ACC CGG GGG GUU GCG AAG GCG GUG GAC UUU GUG CCC GUA GAG UCC AUG GAA ACU ACU AUG CGG UCU CCG GUC UUC ACG GAC AAC UCA UCC CCC CCG GCC GUA CCG CAG UCA UUU CAA-3&#8242;), SEQ ID NO 2). The HIV-1 RT wild-type enzyme (final concentration of 83 pM) was combined with an inhibitor or dimethyl sulfoxide (DMSO, 10% in the final reaction mixture) in assay buffer (62.5 mM Tris-HCl [pH 7.8], 1.25 mM dithiothreitol, 7.5 mM MgCl2, 100 mM KCl, 0.03% CHAPS, and 125 &#956;M EGTA). The mixture was then preincubated on an orbital shaker for 30 min at room temperature in microtiter plates (Costar 3365, Corning, USA). A polymerization reaction was initiated by the addition of RNA template/pD500 DNA primer hybrid (16.6 nM final of RNA/DNA hybrid) and dNTPs (2 &#956;M dATP, dGTP, dCTP and 66.6 nM Ru-dUTP (Meso Scale Discovery, USA)). Plate was sealed and incubated for 5-10 min at room temperature on an orbital shaker. Plate was then incubated for 90 min at 37° C. and reactions quenched with 60 &#956;l quenching buffer (50 mM EDTA, 0.7% BSA, 0.7% Tween-20, 0.017% sodium azide in PBS). The resulting solution was incubated at room temperature for an additional 5 min and then 50 &#956;L was transferred to pre-blocked Avidin plates (L15AA, Meso Scale Discovery). Each well of Avidin plate was blocked for 1 h at room temperature with 100 &#956;L 5% BSA in PBS. Blocking solution was removed by tapping vigorously on filter paper to remove all excess liquid. Reaction on pre-blocked avidin plate proceeded for 60 min at room temperature and then contents removed by tapping vigorously on filter paper to remove all excess liquid. After washing plate 3 times with 150 &#956;L 1×PBS and blotting dry between cycles, 150 &#956;L 1× Read Buffer T (4× Read Buffer T, Meso Scale Discovery) was added and incubated for 5 min at room temperature before counting on a Sector Imager 56000 (Meso Scale Discovery). Titration curves and IC50 values were calculated using a four parameter logisitc fit according to standard procedures. Briefly, % Inhibition=100×((sample raw value)&#8722;(mean value of the low control or 0% inhibition))/((mean value of wells representing 100% inhbition)&#8722;(mean value of 0% inhbition)). In this assay, low control wells contain DMSO (0% inhbition) and 100% inhibition wells contain 1 &#956;M efavirenz.
417	1	Canine TRPM8 Functional Assay	HEK293 cells stably expressing canine TRPM8 were routinely grown as monolayers in Dulbecco&#39;s minimum essential medium supplemented with 10% FBS, 2 mM L-glutamine, 100 units/mL penicillin, 100 ug/mL streptomycin and 400 &#956;g/mL G418. Cells were maintained in 5% CO2 at 37° C. At 24 hr prior to assay, cells were seeded in black wall, clear-base poly-D-lysine coated 384-well plates (BD Biosciences, NJ, USA) at a density of 5,000 cells per well in culture medium and grown overnight in 5% CO2 at 37° C. On assay day, growth media was removed, and cells were loaded with Calcium 3 Dye (Molecular Devices) for 35 min at 37° C., under 5% CO2 and then incubated for 25 min at room temperature and atmosphere. Subsequently, cells were tested for agonist-induced increases in intracellular Ca2+ levels using FLIPR or FDSS. Cells were treated with compounds of the formula (I) at varying concentrations and intracellular Ca2+ was measured for 5 min prior to the addition of icilin to each well to achieve a final concentration that produces an approximately 80% maximal response. EC50 or IC50 values for compounds of the present invention were determined from eight-point concentration-response studies and represent the concentration of compound required to elicit or inhibit 50% of the maximal response, respectively.
418	1	TrkA Elisa Enzyme Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
418	2	TrkA Binding Assay	The ability of a compound to bind to TrkA was measured by Invitrogen&#39;s LanthaScreen Eu Kinase Binding Assay. In this assay, His-tagged recombinant human TrkA (cytoplasmic domain) from Invitrogen is incubated with Invitrogen&#39;s Alexa-Fluor Tracer 236, biotinylated anti-His, and europium-labeled Streptavidin, compound (2% DMSO final) in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). After a 60-minute incubation at 22° C., the reaction was measured using the EnVision via TR-FRET dual wavelength detection, and the POC was calculated from the emission ratio. The compound dose response data was fit to a 4-parameter logistic model and IC50 was defined as the concentration of compound at 50 POC.
419	1	Btk Enzyme Activity Assay A	Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay from 10 &#956;M to 0.316 nM. 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Btk enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Btk enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in Btk IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1x buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
419	2	Btk Enzyme Activity Assay B	BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, final compound concentration range in assay from 10 &#956;M to 0.508 nM) titration curve using the following outlined procedure. To each well of a black Corning 384-well microplate (Corning Catalog #3575), 200 nL of compound (100 fold dilution in final assay volume of 20 &#956;L) was dispensed, followed by the addition of 10 &#956;L of 1× kinase buffer (10 mM Tris pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM MnCl2, and 1 mM DTT) containing 0.16 ng/&#956;L (2.1 nM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 100 nM Blk/Lyntide IMAP substrate peptide (5-carboxyfluorescein-EFPIYDFLPAKKK-NH2; Molecular Devices Catalog #R7188), and 10 &#956;M ATP. The final reaction in each well of 20 &#956;L consists of 1.05 nM hBTK, 50 nM Blk/Lyntide IMAP substrate, and 5 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes and were immediately quenched by the addition of 40 &#956;L IMAP detection beads resuspended in IMAP progressive binding buffer (beads were diluted 1:600 in 75% and 25% progressive binding buffer A and B, respectively; Molecular Devices). Plates were read on Packard microplate reader after 60 minutes binding equilibration using Fluorescence Polarization protocol. Specifically, fluorescence at 535 nm is measured using emission filters oriented both parallel and perpendicular to the polarized excitation filter. This allows detection of changes in Fluorescence Polarization due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mP) of the controls with and without hBTK enzyme. IC50 values are determined by curve fitting of the experimental results using Activity Base.
419	3	Btk Enzyme Activity Assay C	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phospho Tyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
420	1	Fluorescence based hOGA assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production was determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. The values for a four parameter logistic curve fit of the data were determined. KI values were determined using the Cheng-Prusoff equation; the Km of O-GlcNAcase for substrate was 0.2 mM.
422	1	Time-Resolved Fluorescence Energy Transfer (TR-FRET Tracer A)	To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described above. Furthermore, a fluorescently labelled compound (tracer A) was used as a tracer molecule. Detection of the binding event of the tracer was achieved by time-resolved fluorescence energy transfer (TR-FRET). We used an anti-GST-Terbium antibody (CisBio) that binds to the GST-tag at the N-terminus of ATR-kinase. Excitation of Terbium with 337 nm light results in emission of fluorescent light with 545 nm. In case a tetrameric complex has formed (antiGST-Tb+GST-ATR+Strp2-ATRIP+tracer), part of the energy will be transferred from the Terbium to the fluorophore that itself emits light of 570 nm. Displacement of the fluorescent tracer by a test compound leads to a reduction of the TR-FRET-signal.For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer A or B in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer A or B solution (=0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition).
422	2	Time-Resolved Fluorescence Energy Transfer (TR-FRET Tracer B)	To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described above. Furthermore, a fluorescently labelled compound (tracer B) was used as a tracer molecule. Detection of the binding event of the tracer was achieved by time-resolved fluorescence energy transfer (TR-FRET). We used an anti-GST-Terbium antibody (CisBio) that binds to the GST-tag at the N-terminus of ATR-kinase. Excitation of Terbium with 337 nm light results in emission of fluorescent light with 545 nm. In case a tetrameric complex has formed (antiGST-Tb+GST-ATR+Strp2-ATRIP+tracer), part of the energy will be transferred from the Terbium to the fluorophore that itself emits light of 570 nm. Displacement of the fluorescent tracer by a test compound leads to a reduction of the TR-FRET-signal.For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer A or B in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer A or B solution (=0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition).
424	1	Nuclear receptor ROR-gamma	ssays were carried out in 16-&#956;L reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand were mixed in coregulator buffer D (Invitrogen PV4420) containing 5 mM DTT and added to the plate at twice their final concentrations in a volume of 8 &#956;L. Test ligands at 2× the final concentration were then added to the wells in 8 &#956;L of coregulator buffer D containing 5 mM DTT and 4% DMSO. Final incubations contained 1× coregulator buffer D, 5 mM DTT, test ligand, 2% DMSO, 50 nM biotinyl-CPSSHSSLTERKHKILHRLLQEGSPS (American Peptide Company; Vista, Calif.), 2 nM Europium anti-GST (Cisbio 61GSTKLB), 12.5 nM streptavidin-D2 (Cisbio 610SADAB), 50 mM KF, and 10 nM of bacterially-expressed human RORc ligand binding domain protein containing an N-terminal 6×His-GST-tag and residues 262-507 of Accession NP_005051. Ten test ligand concentrations were tested in duplicate. After the reaction plates were incubated for 3 h in the dark at room temperature (22-23° C.), the plate was read on an EnVision plate reader (PerkinElmer) following the Europium/D2 HTRF protocol (ex 320, em 615 and 665, 100 &#956;s lag time, 100 flashes, 500 &#956;s window). The time-resolved FRET signal at 665 nm was divided by that at 615 nm to generate the signal ratio of each well. The signal ratio of wells containing RORc and peptide but no test ligand were averaged and set to 0% Effect while the signal ratios of the blank wells containing coactivator peptide but no RORc were averaged and set to &#8722;100% Effect. RORc exhibits a basal (constitutive) signal in this assay and test ligands can increase or decrease the signal ratio relative to this basal signal level. 
425	1	Electrophysiological Assay (EP) (In Vitro Assay)	The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.7 and NaV1.5 cDNAs (NM_002977 and AC137587; SCN5A, respectively) were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed in both the NaV1.7 and NaV1.5 cell lines.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaC12, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaC12, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.
432	1	Enzymatic Activity Assay	The compounds were tested for serum and glucocorticoid-regulated kinase 1 (SGK-1) inhibitory activity in a substrate phosphorylation assay designed to measure the ability of the isolated enzyme to catalyze the transfer of phosphate from ATP to serine/threonine residues in a fluorescein-labeled substrate peptide, using recombinant human SGK-1 enzyme produced in a baculovirus system (Biomol, Hamburg, Germany, Cat. No. 4-331). The synthesized fluorescent labeled peptide substrate contained (5(6)-Carboxyfluorescein)-RPRAATF-NH2. The phosphorylated substrate peptide and non-phosphorylated substrate peptide were separated with caliper life science&#39;s lab-chip technology based on a micro fluidics method. All fluid flow was established on the chip by applying a vacuum of a few psi to the waste well transporting fluid from various sources through interconnecting channels. Because the phosphoryl group is doubly negatively charged, under the pressure-driven hydrodynamic flow and the voltage-driven flow within the electric field, the fluorescent labeled peptide substrate and its phosphorylation product appear at different times in the detection window to the detection point. Substrate turnover can thus be determined as the ratio of the product peak area and the sum of substrate peak area and product peak area.The enzyme reaction was carried out in a buffer containing 25 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2 mM MnCl2, 2 mM DTT, and 0.03% bovine serum albumine. The enzyme was pre-incubated with the test compound for 30 min at 24° C. The kinase reaction was initiated by addition of the substrate mixture containing the peptide substrate (final concentration 1 &#956;M) and ATP (final concentration 10 &#956;M). After 60 min incubation at 37° C., the enzyme reaction was terminated by adding a buffer containing 100 mM Hepes (pH 7.4) and 35 mM EDTA.
437	1	Fatty Acid Synthase (FASN) Inhibition Scintillation Proximity Assay	In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate through a series of reactions by the FASN protein, which contains 7 functional domains and carries out 7 enzymatic reactions to ultimately produce 3H-palmitate. The assay principle is based upon the fact that 3H-acetyl-CoA is hydrophilic and the end product, 3H-palmitate is hydrophobic. The hydrophobic 3H-palmitate binds to scintillation proximity assay (SPA) imaging beads (resulting in light emission from the imaging beads) whereas the hydrophilic 3H-acetyl-CoA does not bind to the imaging beads (and therefore does not result in light emission from the imaging beads).10 &#956;L assay buffer (100 mM KH2PO4 pH 7.5, 1 mM DTT) (20 &#956;L in blanks) was added to a 384-well white Opti Plate plate (Perkin Elmer). 0.9 &#956;L test compound (at concentrations of 30 &#956;M, 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.30 &#956;M, 0.10 &#956;M, 0.03 &#956;M and 0.01 &#956;M)/DMSO and 10 &#956;L hFASN enzyme (full length, 300 ng, purified in house) or 10 &#956;L assay buffer was added to the wells. Then 10 &#956;L 450 &#956;M NADPH (Sigma N7505), 18.75 &#956;M [3H]-acetyl-CoA (Perkin Elmer NET-290L), 150 &#956;M malonyl-CoA (Sigma M4263) were added, mixed and incubated at room temperature for 60 minutes. The reaction was stopped by adding 20 &#956;L Streptavidin coupled imaging beads (25 mg/ml). After incubation for 30 minutes at room temperature in the dark, the 384 well plate was centrifuged at 1500 rpm for 3 minutes and was measured after at least 24 hrs by the LEADseeker, measuring emission using a 610±20 nm pass filter. (Bays, N. W., et al., A simplified scintillation proximity assay for fatty acid synthase activity: development and comparison with other FAS activity assays, J. Biomol. Screen., 2009, pp 636-642, Vol. 14(6).)Raw data generated by the instrument were normalized to % Controlmin values, which were calculated as: % Controlmin=100*(x&#8722;mLC)/(mHC&#8722;mLC)where mLC and mHC were the means of the low control wells and high control wells on the plate, after manual exclusion of outliers. A plot of Controlmin versus test compound concentration was fitted to a 4-parameter logistic curve using a non-linear least squares regression method. From the plot, an IC50 (concentration at which 50% inhibition is achieved) was calculated. pIC50 values were calculated as &#8722;log(IC50), when IC50 is expressed in molar units.
437	2	Fatty Acid Synthase Keto-reductase Domain (FASN KR) Inhibition	10 &#956;L assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 &#956;L compound (at concentrations of 30 &#956;M, 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.30 &#956;M, 0.10 &#956;M, 0.03 &#956;M and 0.01 &#956;M)/DMSO, 10 &#956;L hFASN enzyme (full length, 300 ng, purified in house) and 360 &#956;M NADPH (except in blank) were then added. Then, 10 &#956;L 180 mM ethyl acetoacetate (Aldrich 688983) was added, mixed and immediately thereafter, the absorbance at 340 nm (T1) by Multiscan (Labsystems) was measured. After 20 minutes incubation at room temperature the plate was measured again (T2).Enzymatic activity of FASN KR was measured as the oxidation of NADPH to NADP+ (a decrease in NADPH signal was observed at OD 340 nm). The decrease in absorbance was calculated as (Absorbance before incubation T1)&#8722;(Absorbance following incubation T2).Raw data generated by the instrument were normalized to % Controlmin values, which were calculated as: % Controlmin=100*(x&#8722;mLC)/(mHC&#8722;mLC)where mLC and mHC were the means of the low control wells and high control wells on the plate, after manual exclusion of outliers. A plot of Controlmin versus test compound concentration was fitted to a 4-parameter logistic curve using a non-linear least squares regression method. From the plot, an IC50 (concentration at which 50% inhibition is achieved) was calculated. pIC50 values were calculated as &#8722;log(IC50), when IC50 is expressed in molar units.
446	1	ER Transcription Assay (MCF7 Cells)	The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing estrogen response elements (EREs) in the promoter/enhancer region. When the reporter gene is transfected in MCF7 cells (containing endogenous ER), transcription is reflected by the level of luciferase expression.MCF7 cells are maintained in DMEM/F12 (Gibco, catalog number 11330) supplemented with 10% fetal bovine serum (FBS) (Gemini Bio-Products, catalog number 100-106). A day before transfection, cells are split into a T75 flask at a cell density of 300,000 cells/mL (10 mL total) and allowed to attach overnight in a humidified CO2 incubator at 37° C.Next day, prior to transfection, media is switched to DMEM/F12 (Gibco, catalog number 21041) supplemented with 10% charcoal-stripped serum (Gemini Bio-Products, catalog number 100-119). MCF7 cells are then bulk transfected, using Lipofectin (Invitrogen, catalog number 18292) with the following plasmids: 7x-TK-ERE-Luc3 (ER reporter gene) and pCMV-Renilla (normalization control). Briefly, for each T75 flask, 32.5 &#956;L of Lipofectin is added to 617.5 &#956;L of OptiMEM (Gibco #11058) and incubated for 30 min at 37 C. Approximately 20 ug DNA is mixed in OptiMEM (Invitrogen) to a total volume of 650 &#956;L. Following incubation, the OptiMEM-DNA mixture is added to the OptiMEM-Lipofectin mix and incubated for 15 minutes at 37° C. The DNA-Lipofectin mixture is then added directly to the T75 flask and the flask is returned to the incubator.After overnight incubation, compound is added to individual wells of a 96-well plate in a 10 &#956;L volume of media at 10× concentration along with 1713 estradiol whose final concentration is 0.1 nM. Normally, DMSO (used as a vehicle) is included to achieve a final concentration of 0.1% when added to the cells. Transfected cells are trypsinized, resuspended in DMEM/F12/10% charcoal-stripped serum and added to the 96-well plate at 25,000 cells/well in 90 &#956;L of media. The plate is then returned to the incubator for 24 hours.After incubation with compounds for 24 hours, Firefly and Renilla luciferase activities are measured to determine ER transcriptional activity. Media is removed from 96-well plates by decanting and blotting on paper towels. Cells are lysed with 40 ul/well of 1× passive lysis buffer (25 mM Tris Phosphate, 2 mM CDTA, 10% Glycerol, 0.5% Triton X-100 and 2 mM DTT before use) and allowed incubate at room temperature for 10 minutes.Firefly luciferase activity is measured by adding 30 ul Firefly luciferase assay buffer (20 mM Tricine, 0.1 mM EDTA, 1.07 mM (MgCO3)4 Mg(OH)2*5H2O, 2.67 mM MgSO4, 33.3 mM DTT, 270 &#956;M Coenzyme A, 470 &#956;M luciferin, 530 &#956;M ATP, reconstituted) per well, followed by measuring light units using a luminometer (BMG labtech FLUOstar OPTIMA). One second total read time after a one second delay.Renilla luciferase activity is measured by adding 50 ul Renilla luciferase assay buffer (1.1M NaCl, 2.2 mM Na2EDTA, 0.22 M KxPO4 (pH 5.1), 0.44 mg/mL BSA, 1.3 mM NaN3, 1.43 uM coelenterazine, final pH adjusted to 5.0), per well, followed by measuring light units using a luminometer. One second total read time after one second delay. If Firefly luciferase signal is high, Renilla assay must be done an hour after the Firefly assay due to incomplete squelching of Firefly signal.
446	2	ERalpha Degradation (MCF7 Cells)	Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco, catalog number 11330) supplemented with 10% charcoal-stripped serum (Gemini Bio-Products, catalog number 100-119), and incubate them at 37° C., 5% CO2 for 24-36 hours. Next day, make 10× solution of ligands in DMSO and add the solution to the cells to achieve a final concentration of 10 uM. A DMSO control is required for relative calculations, and fulvestrant is used as a positive control for ER degradation. The cells are subjected to the in-cell Western assay after incubating cells with ligand for 18-24 hours.Media is removed from the plates by decanting, and cells are immediately fixed with 100 &#956;l of 3.7% formaldehyde in PBS using a multi-channel pipettor. Add formaldehyde to the sides of the wells to avoid cell disruption. Plates are incubated at room temperature for 20 minutes without shaking. The fix solution is then removed and cells are permeabilized with 100 &#956;L/well of 0.1% Triton X-100 in PBS. The lysate is then blocked by adding 50 uL/well of blocking solution (3% goat serum, 1% BSA, 0.1% cold fish skin gelatin and 0.1% Triton X-100 in PBS, pH 7.4) and allowed to shake at room temperature for 2 hr, or alternatively, at 4° C. overnight.After blocking, 40 &#956;L/well of the primary antibody against ER&#945; (HC-20) (Santa cruz, catalog number 543) diluted at 1:3000 in blocking buffer diluted 1:3 with PBS is added to each well, except the negative control wells (which are used for background subtraction) and the plate is sealed and incubated overnight at 4° C. Next day, the primary antibody solution is removed and the wells are washed three times with 0.1% TWEEN in PBS, with each wash lasting 5 minutes. 40 &#956;L/well of secondary antibody (Biotium CF770 goat anti-rabbit 1:2000, catalog number 20078) and DRAQ5 (DNA stain, 5 mM, Thermo Scientific, catalog number 62251) diluted at 1:10000 in blocking buffer diluted 1:3 with PBS is then added to all the well, including the negative control wells, and the plate is allowed to incubate on shaker at room temperature for 2 hr. The secondary antibody solution is then removed and the plates are washed three times as described above. The plate is then washed one final time with PBS alone to minimize auto-fluorescence. The plate is then cleaned and read on LiCor Odyssey imager.For % response calculations, first divide integrated intensities for 700 channel (ER) by integrated intensities for 800 channel (DNA normalization); 700 (ER)/800 (DNA). This will be referred to as the normalized value. Then subtract average of negative control wells (no primary antibody) from all normalized values. This corresponds to negative subtraction. % response=(Valueunknown/ValueDMSO control)*100.
447	1	BACE1 Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]-N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N-((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 &#956;g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 &#956;l. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 &#956;M (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively. For each test compound, a IC50 value (the concentration mediating 50% inhibition of the specific binding of the radioligand) was determined from concentration-response curve and used to calculate the Ki from the equation Ki=IC50/(1+L/Kd), where L and Kd are the final concentration of the radioligand used in the assay and the dissociation constant of the radioligand, respectively. The Kd of the radioligand was determined from saturation binding experiments.
448	1	[125I]DOI Radioligand Binding Assay	Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2 and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under reduced pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvester. Filters were then washed several times with ice-cold wash buffer (50 mM Tris-HCl, pH 7.4). Plates were then dried at room temperature and counted in a Wallac MicroBeta scintillation counter.
449	1	[35S]GTPgammaS Binding Assay	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, and 0.1% (w/v) BSA with 200 mM NaCl, 3 &#956;M GDP] and membranes expressing human APJ receptor/well along with WGA PS beads. The reaction was initiated by addition of 0.2 nM [35S]GTP&#947;S (Perkin Elmer Life and Analytical Sciences, Waltham USA) in the absence or presence of various ligands and incubated at RT for 90 min. Nonspecific binding was determined in the presence of 100 &#956;M GTP&#947;S and was always less than 0.2% of total binding. All the results presented are means of several independent experiments and analyzed by non-linear regression methods using commercially available program Prism (GraphPad, San Diego, Calif.) to obtain EC50.
450	1	GRP40 FLIPR Assays	FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clones. For the FLIPR assay, one day before assay, GPR40/CHO NFAT BLA cells were seeded into black-wall-clear-bottom 384-well plates (Costar) at 1.4×10e4 cells/20 &#956;L medium/well. The cells were incubated with 20 &#956;l/well of the assay buffer (HBSS, 0.1% BSA, 20 mM HEPES, 2.5 mM probenecid, pH 7.4) containing 8 &#956;M fluo-4, AM, 0.08% pluronic acid at room temperature for 100 minutes. Fluorescence output was measured using FLIPR. Compounds were dissolved in DMSO and diluted to desired concentrations with assay buffer. 13.3 &#956;L/well of compound solution was added.The compounds of the present invention, including the compounds in Examples 1-159, have EC50 values less than 2 micromolar (&#956;M) in the FLIPR assay described above
450	2	Inositol Phosphate Turnover (IP1) Assay 1	The assay was performed in 96-well format. HEK cells stably expressing human GPR40 were plated to be 60-80% confluent within 72 h. After 72 h, the plates were aspirated and the cells washed with inositol-free DMEM (ICN). The wash media was replaced with 150 &#956;L of 3H-inositol labeling media (inositol-free media containing 0.4% human albumin or 0.4% mouse albumin, 1× pen/strep antibiotics, glutamine, 25 mM HEPES to which was added 3H-myo-inositol NEN #NET114A 1 mCi/mL, 25 Ci/mmol diluted 1:150 in loading media with a final specific radioactivity of 1 &#956;Ci/150 &#956;L). Alternatively, the human and mouse albumin can be added after the overnight labeling step before the addition of LiCl.The assay was typically run the next day after 18 h labeling. On the day of the assay, 5 &#956;L of 300 mM LiCl was added to all wells and incubated at 37 degrees for 20 min. 0.75 &#956;L of each compound was added and incubated with the cells for 60 min at 37 degrees. The media was then aspirated off and the assay terminated with the addition of 60 &#956;L 10 mM formic acid. The cells were lysed for 60 min at room temperature. 15-30 &#956;L of lysate was mixed with 70 &#956;L/1 mg YSi SPA beads (Amersham) in clear bottom Isoplates. The plates were shaken for 2 h at room temperature. Beads were allowed to settle and the plates were counted in the Wallac Microbeta.
450	3	Inositol Phosphate Turnover (IP1) Assay 2	The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 15,000 cells per well in growth medium (DMEM/10% fetal calf serum). Cell plates were then incubated 16 hours at 37 degrees in a 5% CO2 incubator.Measurement of Inositol Phosphate Turnover (IP1) was performed using the CisBio IP-One kit (Part number 62IPAPEB). After the 16 hour incubation, the cells were washed with HEPES buffer and 10 ul of stimulation buffer (prepared as described in the kit) was added to each well. In a separate plate, compounds were diluted in DMSO (400-fold over the final concentration in the assay well) and 25 nl was acoustically transferred to the appropriate well in the assay cell plate.The plates were then incubated for 60 minutes at 37 degrees. 10 ul of detection buffer (also prepared as described in the IP-One kit) was added to each well and the plates were incubated for 60 minutes in the dark. The plates were then read in a Perkin Elmer EnVision or equivalent reader able to measure FRET. Fluorescent ratio of emission at 665 and 620 nm was then converted to IP1 concentration by back calculating from an IP1 standard curve prepared at the time of the assay.
451	1	LSD1 enzymatic assay	Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 10 &#956;M. Control samples lacking compound, LSD1 enzyme or various reaction components also were prepared and processed in parallel with compound test samples.An aliquot of each serial dilution of test compound was added to a 96 well plate containing 50 nM purified N-truncated LSD1 enzyme (RBC Cat# PDM-11-350), 50 mM Tris-HCl, pH 7.5, 0.05% CHAPS and 1% DMSO in a 10 microliter reaction volume. The plate was pre-incubated at room temperature for 30 min to which 10 &#956;M of histone 3.3 peptide (aa 1-21) was added to initiate the enzymatic reaction. The reaction mixture was incubated at room temperature for one hour. After one hour, 10 &#956;l of a detection mixture of horseradish peroxidase (Sigma Cat #P8375) and Amplex Red (InVitrogen A36006) was added and kinetic measurements were read at 5 minute intervals for a period of 30 minutes using an Envision Multiplate Reader (PerkinElmer; excitation at 535 nM and emmission read at 590 nM). The IC50 value for each compound was determined from each 10-point dose-response curve using GraphPad Prism 4 software with a sigmodial dose response. 
453	1	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
453	2	JMJD3 Assay	The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 5 nM JMJD3, 250 nM H3K27me3-biotin labeled peptide (Anaspec cat #64367), 0.4 to 2 &#956;M &#945;-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K27me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;M of the mixture of 750 nM H3K27me3-biotin labeled peptide and 1.2 to 6 &#956;M alpha-ketoglutaric acid with 2 &#956;L of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 15 nM JMJD3 to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;L of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K27me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio from the readout of 665/615 was calculated for each well and fitted to determine inhibition constant (IC50).
453	3	Jarid1B Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K4me or -H3K4me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me/H3K4me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
454	1	TBD	TBD
456	1	BACE1 Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H] N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N ((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 &#956;g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 &#956;l. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 &#956;M (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively. For each test compound, a IC50 value (the concentration mediating 50% inhibition of the specific binding of the radioligand) was determined from concentration-response curve and used to calculate the Ki from the equation Ki=IC50/(1+L/Kd), where L and Kd are the final concentration of the radioligand used in the assay and the dissociation constant of the radioligand, respectively.
458	1	High Throughput EGFR Biochemical Assay	EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-catalyzes the phosphorylation of a universal Tyrosine kinase peptide substrate labeled with XL665. Europium conjugated phosphor-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor. The assay was performed in two main steps. The first step is the kinase reaction step and the second step is the detection step with TR-FRET reagents. In brief, test compounds 1:3 serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). EGFR enzyme (Human EGFR, cytoplasmic domain [669-1210] from Carna Biosciences Cat. No. 08-115) and substrates TK substrate-biotin (included in Cisbio HTRF KinEASE-TK kit Cat. No. 62TK0PEJ) were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 10 &#956;L reaction mixture contained 6 &#956;M ATP (1×Km) or 12 &#956;M ATP (2×Km), 1 &#956;M biotinylated peptide, 0.3 nM EGFR (for 1×Km ATP) or 0.1 nM EGFR (for 2×Km ATP) in reaction buffer (10 mM MOPS, pH 7.0, 1.5% Glycerol, 0.5 mg/ml BSA, 10 mM Mg-Acetate, 1 mM DTT, 0.025% NP-40). After 60 min of incubation at room temperature, 10 &#956;L of Stop and Detect Solution (1:400 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for over 60 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percent inhibition was calculated as follows: % Inhibition=100x(RatioSample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition) where 0.05% DMSO (0% inhibition) was the negative control and 100 &#956;M Staurosporine and Gefitinib (100% inhibition) was used as the positive control.
459	1	Jak Biochemical HTRF Assay Protocol	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer #PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (&#955;ex=337 nm, &#955;em=665 and 615 nm, TRF delay time=20 &#956;s). HTRF signal=10,000*665 nm reading/615 nm reading. After normalization to untreated controls, the percent inhibition of the HTRF signal at each compound concentration was calculated.
462	1	JAK Enzyme Assay	All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(866-1154), GST-JAK3(811-1124), and GST-TYK2(888-1187) were expressed and purified by affinity chromatography at the EPK biology unit.The kinase assays were based on the Caliper mobility shift assay using the LabChip 3000 systems. This technology is similar to capillary electrophoresis and uses charge driven separation of substrate and product in a microfluidic chip.All kinase reactions were performed in 384 well microtiter plates in a total reaction volume of18 &#956;I. The assay plates were prepared with 0.1 &#956;I per well of test compound in the appropriate test concentration, as described under the section preparation of compound dilutions . The reactions were started by combining 9 &#956;I of substrate mix (consisting of peptide and ATP) with 9 &#956;I of kinase dilution. The reactions were incubated for 60 minutes at 30° C. and stopped by adding 70 &#956;I of stop buffer (100 mM Hepes, 5% DMSO, 0.1% Coating reagent, 10 mM EDTA, 0.015% Brij 35).Fluorescently labeled synthetic peptides were used as substrates in all reactions. A peptide derived from the sequence of IRS-1 (IRS-1 peptide, FITC-Ahx-KKSRGDYMTMQIG-NH2) was used for JAK1 and TYK2 and a peptide named JAK3tide (FITC-GGEEEEYFELVKKKK-NH2) for JAK3
474	1	Ca-Flux Functional Assay	GPR43 agonist/PAM activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by FLIPR (manufactured by Molecular Devices). GPR43 mediated increases in intracellular Ca2+ concentration were readily detected upon activation with sodium acetate. Prior to the assay (24 hours), CHO-K1 G&#945;16 cells stably expressing human GPR43 were-seeded in cell culture medium in black, clear-bottom 384-well plates (Corning Inc) and grown overnight at 37° C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (Molecular Devices) diluted in HBSS containing 25 mM HEPES, 2.5 mM Probenecid, 0.1% BSA for 1 hour at 37° C., 5% CO2. 10 point half log concentration response curves of sodium acetate from 10 mM were conducted prior to the testing of compounds to calculate the sodium acetate concentration that produces 20% of the maximal response (EC20). Test compounds (at 10 point half log concentration response curves from 10 &#956;M) were added in the presence of sodium acetate to achieve a final concentration that produces approximately 20% maximal response as calculated from the previous experiment. The changes in fluorescent signal were monitored by FLIPR upon addition of the compound/EC20 sodium acetate mix. The EC50 values were determined from ten point concentration response curves. Curves were generated using the average of two wells for each data point.
475	1	Inhibition of IRAP Assay	Rat epididymal fat pads were homogenized and subjected to ultracentrifugation at 100,000×g for 30 minutes to obtain microsomes containing IRAP. The microsomes (with a total protein content of 55 g/well) were mixed with a solvent (dimethyl sulfoxide; hereinafter, abbreviated as DMSO (final concentration: 0.1%)) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution to a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous trifluoroacetic acid (hereinafter, abbreviated as TFA) solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by the logistic regression to evaluate inhibition of IRAP activity. As comparative examples, similar tests were performed with the compounds of the Reference Examples 1 and 2 described below: (2S,3S)-3-amino-2-hydroxy-5-methyl-2-({4-[(trans-4-methylcyclohexyl)oxy]pyridin-2-yl}methyl)hexanoic acid dihydrochloride; and (2S,3R)-3-amino-2-hydroxy-5-methyl-2-({4-[(trans-4-methylcyclohexyl)oxy]pyridin-2-yl}methyl)hexanoic acid hydrochloride, respectively.
475	2	Inhibition of Human P-LAP (hP-LAP) Assay	HEK293 cells forced to transiently express hP-LAP (J Biol Chem 1996; 271: 56-61) were prepared by lipofection, homogenized, and then subjected to ultracentrifugation at 100,000×g for 30 minutes. Microsomes containing hP-LAP were thereby prepared. The microsomes (with a total protein content of 0.5 to 1.5 &#956;g/well) were mixed with a solvent (DMSO; final concentration: 0.1%) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution into a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous TFA solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by logistic regression to evaluate inhibition of human P-LAP (hP-LAP) activity. The results are shown in Tables 1 and 2 and indicate that the example compounds effectively inhibit AVP degradation by hP-LAP.
476	1	Insulin reductase assay	Insulin reductase assay.
477	1	IRAK1 Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRAK-1 inhibition is performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A).His-TEV-IRAK-1 (15 ng/well), ATP (1 &#956;M, [33P]ATP 0.25 &#956;Ci/well) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) are incubated for 3 hours at 30° C. in assay buffer: Hepes pH 7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton-X-100 0.01%. Kinase reaction is stopped by addition of EDTA. Supernatant is discarded, plates are washed three times with 150 mM NaCl and radioactivity is then measured in a Microbeta Trilux reader.
477	2	IRAK4 Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712) IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International based in Bagnols/C ze FR).Measurement of IRAK-4 inhibition is performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A). His-TEV-IRAK4 (20 ng/well), ATP (2 &#956;M, [33P]ATP 0.25 &#956;Ci/well), STK1-biotin peptide (300 nM) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) are incubated for 3 hours at 30° C. in assay buffer: Hepes pH 7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Tween-20 0.01%, MnCl2 5 mM.Kinase reaction is stopped by addition of EDTA. Supernatant is discarded, plates are washed three times with 150 mM NaCl and radioactivity is then measured in a Microbeta Trilux reader.
478	1	MT4 Cell Antiviral Assay	Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell lymphotropic virus transformed cell line MT4. Aliquots of the test compounds were serially diluted in medium (RPMI 1640, 10% fetal calf serum (FCS), and gentamycin) in 96-well plates (Costar 3598) using a Cetus Pro/Pette. Exponentially growing MT4 cells were harvested and centrifuged at 1000 rpm for 10 min in a Jouan centrifuge (model CR 4 12). Cell pellets were resuspended in fresh medium (RPMI 1640, 20% FCS, 20% IL-2, and gentamycin) to a density of 5×105 cells/ml. Cell aliquots were infected by the addition of HIV-1 (strain IIIB) diluted to give a viral multiplicity of infection of 100×TCID50. A similar cell aliquot was diluted with medium to provide a mock-infected control. Cell infection was allowed to proceed for 1 hr at 37° C. in a tissue culture incubator with humidified 5% CO2 atmosphere. After the 1 hr incubation the virus/cell suspensions were diluted 6-fold with fresh medium, and 125 &#956;l of the cell suspension was added to each well of the plate containing pre-diluted compound. Plates were then placed in a tissue culture incubator with humidified 5% CO2 for 5 days. At the end of the incubation period, cell number and hence HIV-induced cytopathy was estimated by either (A) propidium iodide staining, or by an (B) MTS tetrazolium staining method.For propidium iodide readout, 27 &#956;l of 5% Nonidet-40 was added to each well of the incubation plate. After thorough mixing with a Costar multitip pipetter, 60 &#956;l of the mixture was transferred to filter-bottomed 96-well plates. The plates were analyzed in an automated assay instrument (Screen Machine, Idexx Laboratories). The control and standard used was 3&#8242;-azido-3&#8242;-deoxythymidine tested over a concentration range of 0.01 to 1 &#956;M in every assay. The expected range of IC50 values for 3&#8242;-azido-3&#8242;-deoxythymidine is 0.04 to 0.12 &#956;M. The assay makes use of a propidium iodide dye to estimate the DNA content of each well.For MTS readout, 20 &#956;l CellTiter 96 AQ One Solution reagent (Promega #G3582) was added to each well. At 75 minutes following the addition of MTS reagent, absobance was read at 492 nM using a Tecan Sunrise 96-well plate reader.
479	1	Erythropoietin (EPO) Biological Assay	The activities of compounds of the invention in inducing erythropoietin (EPO) production were assessed by using human live cancer cell strain Hep3B (ATCC: American type culture collection, Manassas, Va.). Hep3B cells seeded in a 96-well plate with a density of 2.5×104 cells/well were cultivated overnight in DMEM culture medium (Dulbecco&#39;s Modified Eagle&#39;s Medium) at 37° C. in the presence of 10% fetal bovine serum (FBS). The next day, the supernatant liquid of culture medium was abandoned by suction, and to the residue was added fresh DMEM (containing 0.5% DMSO, 0.5% FBS) containing compound of the invention with a series of concentrations (0.31160.00 &#956;M) or containing solvent used for comparison. The cells were cultivated at 37° C. for 24 h. The supernatant liquid was collected and the EPO concentration of the supernatant was quantified by using human EPO ELISA kit (Abcam). The activity of each compound in inducing erythropoietin (EPO) production was represented by half maximal effective concentration (EC50).
481	1	Humna P2X3 Binding Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 384-well PDL-coated microtiter plate at a concentration of 3000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, and 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.5% BSA, and 0.04% Pluronic F-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 20 &#956;L of the washing buffer. The plate was placed in High-Throughput Screening System FLIPR 384 (Molecular Device Co.). Measurement of fluorescence intensity by FLIPR 384 was started, and 20 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 150 nM ATP solution (25 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. The specific maximum fluorescence intensity and IC50 were calculated using Spotfire (Science & Technology Systems, Inc.)
481	2	Humna P2X3 Binding Assay in Human Serum Albumin (HSA)	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 96-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (7.0% fetal bovine serum, 7.0% horse serum, 1% antibiotic and antifungal, and 2.0% glutamine in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 137 mM NaCl, 5.37 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.5% BSA, and 0.04% Pluronic F-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing 1% HSA (final concentrations) different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and XLfit (idbs Ltd.)
481	3	Rat P2X3 Binding Assay	Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate at a concentration of 2500 cells/well and cultured in the medium (7.0% fetal bovine serum, 7.0% horse serum, and 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The plasmid was transfected into the cells using transfection reagent FuGENE6 (Promega). The transfected cells were cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (pH7.5) containing 20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 1% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and XLfit (idbs Ltd.).The data of the compounds of the present invention ar
481	4	Rat P2X3 Binding Assay in Rat Serum Albumin (HSA)	Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate at a concentration of 2500 cells/well and cultured in the medium (7.0% fetal bovine serum, 7.0% horse serum, and 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The plasmid was transfected into the cells using transfection reagent FuGENE6 (Promega). The transfected cells were cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-4-AM solution (pH7.5) containing 20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 10% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing 1% RSA (final concentrations) and different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. The 50% inhibitory concentration (IC50) was calculated under the assumption that the specific maximum fluorescence intensity without test compound is 0% inhibition and that the specific maximum fluorescence intensity when the dilution buffer was added in place of ATP solution is 100% inhibition, to evaluate the inhibitory activity of the test compound. FDSS software (Hamamatsu Photonics K.K.) was used for calculation of the specific maximum fluorescence intensity. IC50 was calculated using Microsoft Excel (Microsoft Corporation) and XLfit (idbs Ltd.).
482	1	MGAT2 Human Assay	A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methylisoxazol-3-amine (5.32 g, 34.5 mmol) in anhydrous THF (200 ml) that had been cooled to &#8722;78° C. and placed under a N2 atmosphere. The acetone bath was removed and the solution aged at room temperature for 3 hrs. The reaction was quenched with saturated aqueous NH4Cl solution and diluted with EtOAc. The two layers were separated and the aqueous phase extracted with EtOAc×2. The combined organic layers were dried over MgSO4, filtered, and concentrated under reduced pressure. The resulting crude was purified by MPLC (KP-Sil 340 g SNAP column, BIOTAGE system) eluting with a gradient of 20-50% EtOAc/Hexane to afford the title compound.
484	1	HDAC9 Biochemicle Assay	The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys(Tfa)-AMC. The substrate is deacetylated to Boc-Lys-AMC by HDAC9. Cleavage by trypsin results in the release of the fluorophore AMC from the deacetylated substrate. The fluorescence of the sample is directly related to the histone deacetylase activity in the sample.
486	1	HIV Integrase Inhibitory Assay	The donor DNA was diluted with TE buffer to 20 nM, of which 50 &#956;L was added to each well of streptavidin-coated black plate (manufactured by PIAS Corporation) and allowed to adsorb at 37° C. for 20 min. The plate was washed with phosphate buffer (Dulbecco&#39;s PBS, Sanko Junyaku Co., Ltd.) containing 0.1% Tween 20 and phosphate buffer. Then, an enzyme reaction mixture (70 &#956;L), a test substance (10 &#956;L) diluted with the enzyme reaction mixture and 0.75 &#956;M integrase protein (10 &#956;L) were added to each well and the mixture was reacted at 37° C. for 60 min. composition of enzyme reaction mixture: 30 mM MOPS (3-morpholinopropanesulfonic acid), 5 mM magnesium chloride, 3 mM DTT (dithiothreitol), 0.1 mg/mL BSA (bovine serum albumin), 5% glycerol, 10% DMSO (dimethyl sulfoxide), 0.01% Tween 20.Then, 25 nM target DNA (10 &#956;L) was added, and the mixture was reacted at 37° C. for 20 min and washed with phosphate buffer containing 0.1% Tween 20 to stop the reaction. Then, 100 mU/mL peroxidase labeled anti-digoxigenin antibody solution (Roche, 100 &#956;L) was added, and the mixture was reacted at 37° C. for 60 min, followed by washing with phosphate buffer containing 0.1% Tween 20.Then, peroxidase fluorescence substrate solution (manufactured by PIAS Corporation, 100 &#956;L) was added, and the mixture was reacted at room temperature for 20 min to 30 min. A reaction quenching liquid (manufactured by PIAS Corporation, 100 &#956;L) was added to discontinue the reaction, and fluorescence intensity at excitation wavelength 325 nm/fluorescence wavelength 420 nm was measured.
485	1	Infectivity Assay	A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc virus was prepared by co-transfection of two plasmids, pNLRLuc and pVSVenv. The pNLRLuc contains the NL-Rluc DNA cloned into pUC18 at the PvuII site, while the pVSVenv contains the gene for VSV G protein linked to an LTR promoter. Transfections were performed at a 1:3 ratio of pNLRLuc to pVSVenv in 293T cells using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer, and the pseudotype virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. This provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.).Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990). The anti-viral activity of compounds was evaluated under three serum conditions, 10% FBS, 15 mg/ml human serum albumin/10% FBS or 40% human serum/5% FBS, and the results from at least 2 experiments were used to calculate the EC50 values.
487	1	Aequorin Assay with Human NK-3 Receptor	The antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the inhibition of the luminescence response to the addition of Neurokinin A.Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 5 below).
487	2	Human NK1 Assay	The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
487	3	Human NK2 Assay	The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
487	4	3H-SB222200 Binding Competition Assay with Human NK-3 Receptor	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
487	5	hERG Inhibition Assay	The human Ether-a-go-go Related Gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in cardiac repolarisation. IKr current inhibition has been shown to elongate the cardiac action potential, a phenomenon associated with increased risk of arrhythmia. IKr current inhibition accounts for the vast majority of known cases of drug-induced QT-prolongation. A number of drugs have been withdrawn from late stage clinical trials due to these cardiotoxic effects, therefore it is important to identify inhibitors early in drug discovery.The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG).Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 &#956;M; 3 &#956;M; 10 &#956;M; 30 &#956;M) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models.The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from &#8722;80 mV to a maximum value of +40 mV, starting with &#8722;40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to &#8722;55 mV, after each of these incremented steps, for 1 second and finally repolarized to &#8722;80 mV for 1 second.The current density recorded were normalized against the baseline conditions and corrected for solvent effect and time-dependent current run-down using experimental design in test compound free conditions.Inhibition curves were obtained for compounds and the concentrations which decreased 50% of the current density determined in the baseline conditions (IC50) were determined. All compounds for which the IC50 value is above 10 M are not considered to be potent inhibitors of the hERG channel whereas compounds with IC50 values below 1 &#956;M are considered potent hERG channel inhibitors.
488	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.).
488	2	PI3K-delta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
488	3	PI3K-gamma Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
488	4	THP-1 RPS6 ELISA Assay	To measure the Phosphorylated Ribosomal Protein S6 (RPS6) in cell lysates, THP-1 cells (Human Acute Monocytic Leukemia) are purchased from ATCC (Manassas, Va.) and maintained in RPMI with 10% FBS (Gibco/Life Technologies, Carlsbad, Calif.). For the assay, THP-1 cells are serum starved overnight in RPMI, then plated in RPMI (2×105 cells/well in 90 &#956;L) into 96-well flat-bottom tissue culture treated plates (Corning, Corning, N.Y.), in the presence or absence of a concentration range of test compounds. Covered plates are incubated for 2 hours at 37° C., 5% CO2 then treated with or without 10 nM MCP-1(MYBioSource, San Diego, Calif.) for 15 minutes at 37° C., 5% CO2. Plates are centrifuged at 1600 RPM and supernatants are removed. Cells are lysed in Lysis Buffer (Cell Signaling, Danvers, Mass.) with Protease Inhibitor (Calbiochem/EMD, Germany), PMSF (Sigma, St Louis Mo.), HALTS (Thermo Fisher, Rockford, Ill.) for 30 min on wet ice. Cell lysates are frozen at &#8722;80° C. before testing. The lysates are tested in the Human/Mouse/Rat Phospho-RPS6 ELISA (R&D Systems, Inc. Minn, MN). The plate is measured using a microplate reader (SpectraMax M5-Molecular Devices, LLC Sunnyvale, Calif.) set to 450 nm with a wavelength correction of 540. IC50 determination is performed by fitting the curve of inhibitor percent inhibition versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
489	1	Active Human ERK2 (hERK2) Activity Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides (2.25 &#956;M-unlabeled peptide and 200 nM-labeled peptide, and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 60 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
490	1	p110alpha (alpha) PI3K Binding Assay	PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is performed in the presence of PIP2:3PS lipid substrate (Promega #V1792) and ATP. Following the termination if the kinase reaction, turnover of ATP to ADP by the phosphorylation of the lipid substrate is detected using the Promega ADP-Glo (Promega #V1792) assay.
492	1	HEK293-hTLR-7 assay	HEK293-Blue-hTLR7 cells were incubated at a density of 250,000-450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/l glucose, 50 U/ml penicillin, 50 mg/ml streptomycin, 100 mg/ml Normocin, 2 mM L-glutamine, 10% (v/v) heat-inactivated fetal bovine serum for 24 h. Then the HEK293-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hours. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 1-3 hours and the absorbance was read at 620-655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002).The compounds of the present invention were tested in the above assay for their TLR7 agonism activity as described herein and results are listed in Table 1. The Examples were found to have EC50 of about 3 &#956;M to about 500 &#956;M. Particular compounds of formula (I) or (Ia) were found to have EC50 of about 3 &#956;M to about 200 &#956;M.
496	1	TLR7/8/9 Inhibition Reporter Assay	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
498	1	TR-FRET In-Vitro Binding Assay	All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 &#956;L per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5 &#956;L per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;L per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 3 nM Eu-labeled anti-His6 antibody, 21 nM streptavidin-allophycocyanin) were added. After 35 minutes incubation at 30° C., plates were measured in a Perkin Elmer EnVision multilabel reader. Concentrations causing 50% inhibition (1050 values) were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
498	2	Assay for CREB protein	All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 uL per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5 uL per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30&deg; C. for 35 minutes. Subsequently 4.5 uL per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 3 nM Eu-labeled anti-His6 antibody, 21 nM streptavidin-allophycocyanin) were added. After 35 minutes incubation at 30&deg; C., plates were measured in a Perkin Elmer EnVision multilabel reader.
499	1	In Vitro Assay	The amplified sequence was subsequently ligated into a pcDNA3.1 (+) NotI, NheI digested plasmid. Human embryonic kidney (HEK) cells (ATCC CRL-1573, Manassas, Va., USA) were transfected with the pcDNA3.1 (+).hP2X7 plasmid using lipofectamine 2000 (Invitrogen AG, CH) according to the manufacturer&#39;s instructions. Following a 24 h exposure to DNA, cells were trypsinized and re-seeded at low density in the presence of 250 &#956;g Geneticin. Geneticin resistant cells were then selected during two consecutive rounds of cloning by serial limiting dilution with visual inspection. Individual clones were screened for P2X7 expression by applying ATP and recording the resultant uptake of YO-PRO1. Specific cell clones were chosen based on RNA and protein expression. HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. in a humidified 5% CO2 incubator (split 1/5 every 3-4 days with DMEM, 10% FCS, 1% Penicillin/Streptomycin, 250 &#956;g/ml Geneticin). Adherent cells were detached by incubation with Trypsine (1 ml per 165 cm2 dish) for 2 minutes, then washed off with 10 ml PBS (without Mg2+ and Ca2+), and resuspended in DMEM, 10% FCS, 1% Penicillin/Streptomycin, no Geneticin. 10&#8242;000 cells per well (48 hours before the assay) or 25&#8242;000 cells per well (Vi-cell XR (Beckman Coulter) (24 hours before the assay) in 50 &#956;l full medium were seeded on 384-well black-wall, clear bottom plates, that were coated before with 10 &#956;l per well Poly-L-Lysine, incubated for 30-60 minutes at 37° C. and washed once with PBS. Medium was removed from cells and 50 &#956;l of assay buffer containing 0.5 &#956;M YO-PRO-1 was added into the wells. Solutions of antagonist compounds were prepared by serial dilutions of a 10 mM DMSO solution of the antagonist into PBS using a BioMek (Beckman Coulter). Each concentration was performed in duplicate. For IC50 measurements 10 concentration points were measured (10 &#956;M being the highest concentration followed by 9 serial dilution steps 1/3). The cells were incubated with the antagonists of the present invention together with ATP at a final concentration of 250 &#956;M for 90 minutes. During this time period, four time points were taken. Each time point comprised the average of several measurements made within a few seconds. Fluorescence was measured in the FLIPR tetra (Molecular Devices) using the filters appropriate for YO-PRO-1 fluorescence (excitation485/20, emission 530/25). 
501	1	Kinase Assay	The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme, substrates (fluoresceinated peptide FL-AHA-KRRRAL-PSER-VASLPGL-OH and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 30 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was incubated at room temperature for 22 hours and terminated by adding 45 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the unphosphorylated substrate and phosphorylated product. Inhibition data were calculated by comparison of the no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay were 200 pM CK1&#949; or CK1&#948;, 50 &#956;M ATP, 1.5 &#956;M FL-AHA-KRRRAL-PSER-VASLPGL-OH, and 1.6% DMSO. Dose response curves were generated to determine the concentration required to inhibit 50% of the kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
503	1	Enzyme Assay	JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer Co., Ltd. (PE)) was used. Dilute solutions of compounds and enzymes in assay buffer (50 mM HEPES pH7.5, 1 mM EGTA, 1 mM MgCl2, 2 mM DTT, 0.01% Tween20) were dispensed into wells of a 384-well black plate. After 5 minutes of preincubation, dilute solutions of the substrate and ATP (adenosine triphosphate) were added at a final concentration of 100 &#956;M, and the plate was incubated at room temperature for 2 hours. After addition of a termination reagent containing EDTA (ethylenediamine tetraacetic acid) at a final concentration of 10 mM, LANCE Eu-W1024 Anti-phosphotyrosine (PT66) (manufactured by PE) was added, and after 1 hour of incubation, the fluorescences were measured with ARVO-HTS. From the plot of logarithm of a compound concentration and inhibitory activity, the IC50 was calculated. 
504	1	Kinase Assay	Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfer methodology. Recombinant Btk was pre-incubated with the compounds disclosed herein at room temperature for 1 hour in an assay buffer containing 50 mM Tris pH7.4, 10 mM MgCl2, 2 mM MnCl2, 0.1 mM EDTA, 1 mM DTT, 20 nM SEB, 0.1% BSA, 0.005% tween-20. The reactions were initiated by the addition of ATP (at the concentration of ATP Km) and peptide substrate (Biotin-AVLESEEELYSSARQ-NH2). After incubating at room temperature for 1 h, an equal volume of stop solution containing 50 mM HEPES pH7.0, 800 mM KF, 20 mM EDTA, 0.1% BSA, Eu cryptate-conjugated p-Tyr66 antibody and streptavidin-labeled XL665 was added to stop the reaction. Plates were further incubated at room temperature for 1 hour, and then the TR-FRET signals (ex337 nm, em 620 nm/665 nm) were read on BMG PHERAstar FS instrument. The residual enzyme activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 615 nm to that at 665 nm.
505	1	Intracellular Calcium Assay 	 In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined.
491	1	KAT-II inhibitory assay	The inhibitory action of the test compound on human recombinant KAT-II was determined by the following method.To a reaction mixture (45 &#956;L) containing 3.0 &#956;mol/L kynurenine, 10 &#956;mol/L pyridoxal phosphate, 2.0 ng/&#956;L human recombinant KAT-II, and 150 mmol/L tris(hydroxymethyl)aminomethane-acetate buffer (pH 8.0) was added a 10% dimethyl sulfoxide solution (5 &#956;L) of each test compound prepared, and the mixture was reacted at 37° C. for 1 hr. After the reaction, 50% trichloroacetic acid (5 &#956;L) was added to terminate the reaction.The resultant kynurenic acid was quantified as follows by high performance liquid chromatography. An enzyme reaction mixture was separated by an octadecylsilane reversed-phase column (SC-50DS, Eicom Corporation; mobile phase: 250 mmol/L zinc acetate, 50 mmol/L sodium acetate, and 5.0% acetonitrile (pH 6.2)) incubated at 30° C., and kynurenic acid was quantified using a fluorescence detector (RF-20Axs, Shimadzu Corporation) at excitation wavelength 354 nm, detection wavelength 460 nm. The analytical curve was drawn every time by an external standard method. Each test compound was tested by dual measurement at each concentration. The kynurenic acid level in the presence of a test compound at each concentration was converted into % relative to kynurenic acid resulting from a reaction with an enzyme alone as 100%, and the obtained values were fitted to S-curve to determine IC50.
506	1	Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in deep well 384 plates in a final volume of 40 &#956;L at room temperature. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 10 &#956;M of oleoyl-CoA and 10 ng/&#956;L of DGAT2 membrane.
507	1	Capsaicin-Based Assay	Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth media containing 5 &#956;M PonA (commercially available from Invitrogen) to induce expression of TRPV1. On the day of the assay, the plates are washed with 0.2 mL 1× Hank&#39;s Balanced Salt Solution (commercially available from Life Technologies) containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4, and cells are loaded using 0.1 mL of wash buffer containing Fluo-4 (3 &#956;M final). After one hour, the cells are washed twice with 0.2 mL of wash buffer and resuspended in 0.1 mL of wash buffer. The plates are transferred to a FLIPR for assay. 50 &#956;L of test compound diluted with assay buffer (1× Hank&#39;s Balanced Salt Solution containing 1 mM CaCl2 and 20 mM HEPES, pH 7.4) are added to the cell plates and incubated for 2 min. The final concentration of the compound is adjusted to range from about 50 picoM to about 3 &#956;M. Human TRPV1 is activated by the addition of 50 &#956;L of capsaicin (400 nM), and the plates are incubated for an additional 3 min.
508	1	Caco-2 Assay	Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.
510	1	Inhibition of Human DPPI	Assay conditions: The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 &#956;g/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest 5 (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 &#956;L of DPPI in MES buffer (final concentration 0.0125 ng/&#956;L) and incubated for 10 min. Then, 5 &#956;L of substrate in MES buffer (final concentration 50 &#956;M) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 &#956;L of Gly-Phe-DMK in 10 MES-buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).Each assay microtiter plate contained wells with vehicle controls (1% DMSO in bidest+0.075% 15 BSA) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (Gly-Phe-DMK, in bidest+1% DMSO+0.075% BSA, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values). The analysis of the data was performed by calculating the percentage of fluorescence in the presence of test compound in comparison to the fluorescence of the vehicle control after 20 subtracting the background fluorescence using the following formula:(RFU(sample)&#8722;RFU(background))*100/(RFU(control)&#8722;RFU(background)
511	1	TNAP Inhibition Activity	COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Invitrogen Corp.). On the next day, the medium was replaced with a fresh medium, and the cells were cultured in an incubator for 3 days. After 3 days, the culture supernatant was collected and concentrated by centrifugation at 5000 G for 30 minutes using Amicon 14, 104 cut (Merck Millipore). The concentrated culture supernatant was dialyzed against 5 L of 50 mM Tris/200 mM NaCl/1 mM MgCl2/20 &#956;M ZnCl2 twice and used as an enzyme source (enzyme solution). The substrate pNPP (ProteoChem Inc.) was adjusted to 3.1 mM with Milli-Q water, and a solution of each test compound dissolved in dimethyl sulfoxide (DMSO; Wako Pure Chemical Industries, Ltd.) by 6 serial dilutions at a 5-fold common ratio from 100 &#956;M, or DMSO was added thereto at a final concentration of 1% by volume. The enzyme solution adjusted to 2 &#956;g/mL with an assay buffer (200 mM Tris/2 mM MgCl2/0.04 mM ZnCl2/0.01% Tween 20) was added in the same amount of the substrate solution and incubated at room temperature for 60 minutes. Then, the absorbance (ABS: 405 nm) was measured using a microplate reader (model plus 384, Molecular Devices, LLC), and the concentration of produced p-nitrophenol was calculated. 
512	1	IMAP-FP Assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 60 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
513	1	 In-Vitro Fluorescence Assay	In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent group (MCA=(7-methoxycoumarin-4-yl)acetyl) which is quenched by energy transfer from a Dpn (2,4 dinitrophenyl) group on the same molecule, in Greiner 384-well nb microtitre plates. Cleavage of the peptidic substrate by cathepsin D causes an increase in the fluorescence intensity. In order to determine the efficacy of substances, the time-dependent increase in the fluorescence intensity in the presence of the substance was compared with the time-dependent increase in fluorescence in the absence of substances. The reference substance used was pepstatin A (Sigma-Aldrich). The substrate used was MCA-GKPILFFRLK(Dnp)d-RNH2 (Enzo Life Sciences, L rrach). The enzyme employed was cathepsin D isolated from the human liver (Sigma-Aldrich) in a final concentration of 1.4 nM. The test was carried out in 100 mM sodium acetate buffer, 1.25% (v/v) of DMSO, 0.25% (w/v) of Chaps, pH 5.5. 2 &#956;l of each substance solution with serially diluted substance concentration were added to in each case 4 &#956;l of cathepsin D solution and incubated at room temperature for 10 min. The reaction was started by addition of 2 &#956;l of substrate solution (final concentration 5 &#956;M). After carrying out a starting-point fluorescence measurement (excitation wavelength 340 nm/emission wavelength 450 nm) using an Envision multilabel reader (Perkin Elmer), the reaction was incubated at room temperature for 60 min. The amount of peptide fragment cleaved off during the reaction time was subsequently measured by determination of the increase in the fluorescence intensity at 450 nm (excitation wavelength 340 nm).
514	1	Cell-Free Kinase Inhibitory Activity	To a flat bottom 96 well white plate (Sumitomo Bakelite Co., Ltd., MS-8496W), 10 &#956;l of FGFR1 protein (Carna Biosciences, Inc., 08-133) solution diluted to 1 &#956;g/mL with an assay buffer (20 mM HEPES-NaOH, 0.01% Triton X-100, 2 mM DTT, and 5 mM MgCl2), 10 &#956;L of an assay buffer solution containing CSK-tide substrate (Ana Spec Inc., 63843) in a final concentration of 1000 nM and ATP (Promega Corporation, V9102) in a final concentration of 58.3 &#956;M, and 5 &#956;l of a test substance diluted with the assay buffer were added, and the reaction was performed at room temperature for 1 hour. For measuring kinase activity, ADP-Glo Kinase Assay (Promega Corporation, V9102) was used. After the reaction, 25 &#956;L of ADP-Glo reagent was added to each well of the plate, and the reaction was performed at room temperature for 40 minutes to stop the kinase reaction and to deplete the remaining ATP. The kinase detection reagent was further added, and the reaction was performed at room temperature for 40 minutes, so as to cause conversion from ADP to ATP, a luciferase/luciferin coupling reaction and a luminous reaction by ATP. To evaluate the enzyme activity, the amount of luminescence in each well was measured by Envision (PerkinElmer Co., Ltd.). The luminescence values of the wells containing the kinase protein without adding the test substance was defined as 100% and the luminescence values of the wells adding neither the test substance nor the kinase protein was defined as 0%. Then, a luminescence value ratio in the presence of the test substance was calculated. On the basis of this luminescence value ratio, the concentration of the test substance necessary for inhibiting the kinase activity by 50% (i.e., an IC50 value) was calculated.FGFR2 cell-free kinase inhibitory activity, FGFR3 cell-free kinase inhibitory activity, and FGFR4 cell-free kinase inhibitory activity were measured respectively by using FGFR2 protein (Carna Biosciences, Inc., 08-134), FGFR3 protein (Carna Biosciences, Inc., 08-135), or FGFR4 protein (Carna Biosciences, Inc., 08-136) in the same manner as the case of the aforementioned FGFR1 cell-free kinase inhibitory activity. However, with respect to a concentration of ATP, cell-free kinase inhibitory activity were evaluated in a final concentration of 35 &#956;M for FGFR2, in a final concentration of 16.7 &#956;M for FGFR3, and in a final concentration of 75 &#956;M for FGFR4. For FGFR3 and FGFR4, the reaction with the test substance was performed at room temperature for 2 hours.
516	1	Inhibitory Activity	The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the Z&#8242;-LYTE Kinase Assay Kit-Tyr1 peptide (Invitrogen Corporation), which contained the following reagents: Tyr-1 peptide, Thy-1 phosphopeptide, 5× kinase buffer, ATP, development reagent B, development buffer, and stop reagent.5 &#956;L/well of a solution of the test compound diluted with dimethyl sulfoxide (DMSO), or DMSO, and 10 &#956;L/well of the substrate/enzyme mixture solution were dispensed to a 96-well assay plate and a reaction was carried out for 20 minutes at 30° C. The substrate/enzyme mixture solution was prepared by dilution with the kinase buffer (DL-dithiothreitol (DTT, 2.7 mM), 1.33× kinase buffer) to provide a final concentration for the Tyr-1 peptide of 4 &#956;M and a final Btk concentration of 5 nM. 5 &#956;L/well of the adenosine triphosphate (ATP, final concentration=36 &#956;M) was then added and a reaction was carried out for 1 hour at 30° C. After the completion of the reaction, 10 &#956;L of a development solution, provided by diluting the development reagent B to 128× using the development buffer, was added and a reaction was carried out for an additional 1 hour at 30° C. The enzymatic reaction was then stopped by adding 10 &#956;L of the stop solution. The fluorescence intensity at 445 nm and 520 nm in each well was measured using a Fusion Universal Microplate Analyzer (PerkinElmer Inc.) fluorescence plate reader. The percent phosphorylation was determined using the ratio of the emission at 445 nm (coumarin emission) to the emission at 520 nm (fluorescein emission) in accordance with the protocol provided with the kit.
517	1	Wnt APC Inhibition Assay	Reporter cell lines can be generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a wnt-responsive promoter driving expression of the firefly luciferase gene.Lentiviral constructs can be made in which the SP5 promoter, a promoter having eight TCF/LEF binding sites derived from the SP5 promoter, is linked upstream of the firefly luciferase gene. The lentiviral constructs can also include a hygromycin resistance gene as a selectable marker. The SP5 promoter construct can be used to transduce SW480 cells, a colon cancer cell line having a mutated APC gene that generates a truncated APC protein, leading to de-regulated accumulation of &#946;-catenin. A control cell line can be generated using another lentiviral construct containing the luciferase gene under the control of the SV40 promoter which does not require 0-catenin for activation.Cultured SW480 cells bearing a reporter construct can be distributed at approximately 10,000 cells per well into 96 well or 384 well plates. Compounds from a small molecule compound library can then be added to the wells in half-log dilutions using a ten micromolar top concentration. A series of control wells for each cell type receive only buffer and compound solvent. Twenty-four to forty hours after the addition of compound, reporter activity for luciferase can be assayed, for example, by addition of the BrightGlo luminescence reagent (Promega) and the Victor3 plate reader (Perkin Elmer). Readings can be normalized to DMSO only treated cells, and normalized activities can then be used in the IC50 calculations. 
517	2	Idiopathic Pulmonary Fibrosis (IPF) Primary Screening Assay	Compounds of Formulas (I) or (II) were screened in a &#946;-catenin-based reporter assay in a transformed human bronchial epithelial cell line (NL-20). The results shown in Table 4 demonstrated that compounds of Formulas (I) or (II) are able to inhibit &#946;-catenin activity in these cells, supporting the drug&#39;s mechanism of action for the treatment of idiopathic pulmonary fibrosis (IPF). Compounds of Formulas (I) or (II) are significantly more potent than ICG-001, a small molecule &#946;-catenin inhibitor [Proc. Natl. Acad. Sci. U.S.A (2010), 107(32), 14309-14314].
519	1	HCMV antiviral assay	Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L. and Spector, S. A., J. Virol. Methods 21:293-298, 1990. Briefly, subconfluent MRC-5 cells in 24-well culture dishes were pretreated for 24 h with various concentrations of drug in Eagle s minimum essential medium (E-MEM) containing 2% FBS and antibiotics. The medium was removed and HCMV strains added aba dilution that will result in a 3-4+ cytopathic effect (CPE) in the no-drug wells in 5 days. The virus was absorbed for 1&#8242; h at 37° C., aspirated and replaced with the drug dilutions. After 5 days of incubation HCMV DNA was quantified in triplicate by nucleic acid hybridization using a CMV Antiviral Susceptibility Test Kit from Diagnostic Hybrids, Inc. (Athens, Ohio). The medium was removed and cells lysed according to the manufacturer s instructions. After absorption of the lysate, the Hybriwix filters were hybridized overnight at 60° C. The Hybriwix were washed for 30 min at 73° C. and counted in a gamma counter. The results are expressed as EC50 (the 50% inhibitory concentration).
519	2	MRC-5 Human Lung Fibroblasts Assay	Subconfluent human lung fibroblast cells (MRC-5, American Type Culture Collection, Rockville, Md.) in 24-well plates were treated with drugs diluted in E-MEM (Gibco BRL, Grand Island, N.Y.) supplemented with 2% fetal bovine serum and antibiotics. After 5 days of incubation at 37° C., the cell monolayer was visually inspected under magnification and the concentration of drug which caused a 50% reduction in cell number was estimated.
519	3	CPE reduction assay	The activity of cidofovir (CDV), cyclic cidofovir (cCDV), and 1-O-hexadecylpropanediol-3-cCDV (HDP-cCDV) were tested for antiviral activity in human foreskin fibroblasts infected with vaccinia virus or cowpox virus by measuring the dose dependent reduction in cytopathic effect (CPE). Preliminary vaccinia and cowpox EC50 values were determined in a CPE reduction assay in human foreskin fibroblast (HFF) cells.
519	5	HIV-1 plaque reduction assay	Preliminary experiments in the inhibition of HIV-1 replication by invention compounds were performed as follows. Drug assays were carried out as previously described by Larder et. al., Antimicrobial Agents & Chemotherapy, 34:436-441, 1990. HIV-1LA1 infected HT4-6C cells were exposed to drugs as indicated and incubated for 3 days at 37° C. The cells were fixed with crystal violet to visualize plaques. Antiviral activity was assessed as the percentage of control plaques (no drug) measured in drug treated samples. The EC50 is the micromolar concentration which reduces plaque number by 50%. The activity of adefovir was compared with AZT (zidovudine) and 1-O-hexadecylpropanediol-3-adefovir (HDP-ADV) in HIV-1 infected HT4-6C cells.
519	6	HSV-1 Antiviral Assay	Subconfluent MRC-5 cells in 24-well culture dishes were inoculated by removing the medium and adding HSV-1 virus at a dilution that will result in a 3-4+ CPE in the no-drug well in 20-24 h. This was absorbed for 1 h at 37° C., aspirated and replaced with various concentrations of drugs in E-MEM containing 2% FBS and antibiotics. After approximately 24 h of incubation, HSV DNA was quantified in triplicate by nucleic acid hybridization using a HSV Antiviral Susceptibility Test Kit from Diagnostic Hybrids, Inc. (Athens, Ohio). The medium was removed and cells lysed according to the manufacturer s instructions. After absorption of the lysate, the Hybriwix&#153; filters were hybridized overnight at 60° C. The Hybriwix were washed for 30 min at 73° C. and counted in a gamma counter.
520	1	Electrophysiological Assay (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.7 and NaV1.5 cDNAs (NM_002977 and AC137587; SCN5A, respectively) were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed in both the NaV1.7 and NaV1.5 cell lines.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows:Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete (which was &#8722;60 mV for both NaV1.7 and NaV1.5). The voltage is then stepped back to a very negative (Vhold=150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
520	2	Binding Assay	Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 times the cell pellet weight with ice cold 50 mM Tris HCl, pH 7.4 buffer. The cell suspensions were homogenized on ice using a motorized glass dounce homogeniser. Homogenates were further diluted 8.4 times with ice cold 50 mM Tris HCl, pH 7.4 buffer and then centrifuged at 200×g at 4° C. for 15 min. The supernatants were collected and centrifuged at 10000×g at 4° C. for 50 min. The pellets were then re-suspended in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 1% v/v protease inhibitors (Calbiochem) and re-homogenized on ice. The homogenized membranes were then processed through a syringe equipped with a 26 gauge needle. Protein concentrations were determined by Bradford Assay and the membranes were stored at &#8722;80° C.Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was performed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 &#956;M unlabelled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive binding experiments. Binding reactions were performed in 96-well polypropylene plates at room temperature for 18 h. In 360 &#956;L, membranes were incubated with 100 pM [3H]compound and increasing concentrations of Test Compound. Non-specific binding was defined in the presence of 1 &#956;M unlabelled compound. Reactions were transferred and filtered through 96-well glass fiber/C filter plates presoaked with 0.5% polyethylene imine. The filtered reactions were washed 5 times with 200 &#956;L ice cold buffer containing 0.25% BSA. Bound radioactivity was determined by liquid scintillation counting.
522	1	Tight-binding assay	Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20° C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H to NAD(P)+ at 340 nm (Figure US10071965-20180911-P00001=6220 M&#8722;1 cm&#8722;1). For saFabI, the reaction mixture was identical to that described previously for progress curve experiments (Schiebel et al. (2012). Structure 20:802-13). For ecFabI, the final reaction mixture contained ecFabI (75 nM), trans-2-butenoyl-CoA (800 &#956;M; Sigma and Advent Bio), NADH (300 &#956;M; Sigma), NAD+ (400 &#956;M; Sigma), and inhibitor (2 v/v % DMSO) in 50 mM potassium phosphate, pH 7.5, 150 mM NaCl, 8 v/v % glycerol. For InhA, the final reaction mixture contained InhA (100 nM), trans-2-octenoyl-CoA (200 &#956;M), NADH (250 &#956;M), NAD+ (200 &#956;M), and inhibitor (2 v/v % DMSO) in 30 mM PIPES, pH 6.8, 150 mM NaCl, 1 mM EDTA, 8 v/v % glycerol. The resulting curves were fit to the Morrison and Walsh integrated rate equation (Equation 1) (Morrison et al.
522	2	Jump dilution assay	10 &#956;M saFabI, 15 &#956;M inhibitor, and 500 &#956;M NADPH were preincubated overnight at room temperature followed by a 1:200 dilution into reaction buffer (50 mM potassium phosphate, pH 7.5, 150 mM NaCl, 1 M potassium glutamate, 8 v/v % glycerol) containing 1.5 mM trans-2-butenoyl-CoA and 350 &#956;M NADPH. 
523	1	cAMP Assay	Compounds are dissolved and diluted in DMSO. The final test solution contains 1% DMSO. The cAMP standard (Lance cAMP 384 Kit; PerkinElmer, Cat# AD0264) is prepared in assay buffer (HBSS with 0.1% BSA, 5 mM HEPES, 0.5M IBMX, pH 7.4) containing 1% DMSO and the cAMP standard curve is included at least on one plate. Cells are centrifuged and suspended in assay buffer (incl. 1:100 diluted Alexa antibody).For the assay 5 &#956;l of a cell suspension (approximately 5000 cells/well) incl. Alexa antibody (diluted 1:100) are added into a 384 well MTP microtitre plate excepting one row or column (depending on the plate layout), which is reserved for the standard curve. Then 2 &#956;l of compound sample is added as concentration response curve (e.g. le-5M to 6e-10M), usually in triplicates. Each assay contains incubations with vehicle controls instead of compound as controls for non-inhibited cAMP generation (100% CTL; high values ) and incubations with 1 &#956;M Somatosatin as controls for full inhibition and background (0% CTL; &#39;low values&#39;). After approximately 10-15 min incubation time 3 &#956;l Forskolin (dissolved in DMSO, final conc. 15 &#956;M) is added. Then the plates are shaken briefly and incubated for 60 min at room temperature. After 60 min 10 &#956;l of the detection mix is added into all wells followed by an additional incubation period of 1 h. The plates are read in a suitable plate reader.The analysis of the data is based on the "ratio" of the time-resolved fluorescence measurements of donor and acceptor fluorophore (Ex: 320 nm; Em1: 665 nm; Em2: 615 nm; ratio 665/615). From this ratio, cAMP concentrations are calculated from standard curve and the EC50 is estimated by least square curve fit program.
523	2	Radioligand Binding Assays	For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.
525	1	FBXL10 Assay	The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 nM FBXL10, 30 nM H3K36me2-biotin labeled peptide (Anaspec cat #64442), 0.2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, 5 &#956;M ammonium iron(II) sulfate. Reaction product is determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K36me1 antibody, AlphaScreen Streptavidin-coated Donor beads, and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA to final 10 &#956;g/ml beads.The assay reaction was initiated by the following: 3 &#956;l of the mixture of 90 nM H3K36me2-biotin labeled peptide and 0.6 &#956;M alpha-ketoglutaric acid with 3 &#956;l of 11-point serial diluted inhibitor in 3% DMSO are added to each well of 384 well Proxiplate (Perkin Elmer), followed by the addition of 3 &#956;l of 0.9 nM FBXL10 to initiate the reaction. The reaction mixture is incubated at room temperature for 1 hour, and terminated by the addition of 3 &#956;l of appropriate dilution of anti H3K36me1 antibody in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates will then incubated at room temperature for 40 minutes, followed by addition of 3 ul of 50 &#956;g/ml AlphaScreen Streptavidin-coated Donor beads and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates will then be read by EnVision Multilabel Reader in AlphaScreen mode after minimum 2 hour incubation at room temperature. The AlphaScreen signal for each well is used to determine inhibition constant (IC50).
525	2	PHF8 Assay	The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM PHF8, 200 nM H3K9me1-biotin labeled peptide (Anaspec cat #64358), 0.5 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified-histone H3 lysine 9/lysine27 (H3K9/K27) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 0.5 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 600 nM H3K9me1-biotin labeled peptide and 1.5 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 9 nM PHF8 to initiate the reaction. The reaction mixture was incubated at room temperature for 15 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 1 nM Europium-anti-unmodified H3K9/K27 antibody. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
525	3	FBXL11 Assay	The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15 nM FBXL11, 30 nM H3K36me2-biotin labeled peptide (Anaspec cat #64442), 0.2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, 5 &#956;M ammonium iron(II) sulfate. Reaction product is determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K36me1 antibody, AlphaScreen Streptavidin-coated Donor beads, and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA to final 10 &#956;g/ml beads.The assay reaction was initiated by the following: 3 &#956;l of the mixture of 90 nM H3K36me2-biotin labeled peptide and 0.6 &#956;M alpha-ketoglutaric acid with 3 &#956;l of 11-point serial diluted inhibitor in 3% DMSO are added to each well of 384 well Proxiplate (Perkin Elmer), followed by the addition of 3 &#956;l of 0.45 nM FBXL11 to initiate the reaction. The reaction mixture is incubated at room temperature for 1 hour, and terminated by the addition of 3 &#956;l of appropriate dilution of anti H3K36me1 antibody in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates will then incubated at room temperature for 40 minutes, followed by addition of 3 ul of 50 &#956;g/ml AlphaScreen Streptavidin-coated Donor beads and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates will then be read by EnVision Multilabel Reader in AlphaScreen mode after minimum 2 hour incubation at room temperature. The AlphaScreen signal for each well is used to determine inhibition constant (IC50).
531	1	Human c-Fms Protein Kinase Assay (gamma-33P-ATP Format)	c-fms(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKSPGEYVNIEFG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
531	2	c-Fms Enzyme Assay	In this assay, recombinant human, dog or rat c-fms catalyzed the phosphorylation of the FMS peptide substrate, SYEGNSYTFIDPTQ, with the phosphorylated product detected by a fluorescence immunoassay. The c-fms assay buffer consisted of 25 mM HEPES, pH 7.0, 5 mM MgCl2, 1 mM DTT and 0.01% Brj-35. 5 &#956;l of 3× of the test compound(s) in assay buffer containing 1% DMSO were added to the wells of a 384-well NBS plate, at concentrations of 1 &#956;M down to 0.00002 &#956;M (applying a 1:3 dilution scheme). c-fms activity was assayed in the presence of 300 &#956;M SYEGNSYTFIDPTQ, 1 mM ATP and human, dog or rat c-fms in a total volume of 15 &#956;l. The reaction was initiated with ATP. The assay plates were sealed with aluminum sealing tape and incubated at room temperature for 2 h. At the end of the incubation, 5 &#956;l of 4× detection reagent were added to each well (Antibody Beacon tyrosine kinase assay kit; the 4× detection reagent consisted of 100 nM Oregon Green 488 ligand and 200 nM anti-phosphotyrosine antibody and was prepared just prior to use). The plates were centrifuged at 1000×g for 1 min. Fluorescence was measured after 10 min on a Safire II reader at excitation/emission of 492/517 nm. RFU values were converted to micromolar phosphopeptide using a SYEGNSpYTFIDPTQ standard curve. IC50 values were calculated using GraphPad Prism 5.
532	1	In Vitro DGAT2 Assay	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 &#956;L. To 1 &#956;L of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 &#956;L of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.Background activity obtained using 50 &#956;M of (R)-1-(2-((S)-1-(4-Chloro-1H-pyrazol-1-yl)ethyl)-3H-imidazo[4,5-b]pyridin-5-yl)piperidin-3-yl)(pyrrolidin-1-yl)methanone (WO 2013150416, Example 196-A) for complete inhibition of DGAT2 was subtracted from all reactions. Inhibitors were tested at eleven different concentrations to generate IC50 values for each compound. The eleven inhibitor concentrations employed typically included 50, 15.8, 5, 1.58, 0.50, 0.16, 0.05, 0.016, 0.005, 0.0016, and 0.0005 &#956;M. The data were plotted as percentage of inhibition versus inhibitor concentration and fit to the equation, y=100/[1+(x/IC50)z], where IC50 is the inhibitor concentration at 50% inhibition and z is the Hill slope (the slope of the curve at its inflection point).
533	1	Quorum sensing assay	2.1 The wells of a 12-well plate were marked as initial concentration group, 2, 4, 8, 16, 32, 64, 128, and 256 fold diluted group, DMSO group, and a blank control group from left to right and from up to bottom, respectively.2.2 The monoclonal C. violaceum CV026 grew on LB solid plate was cultured to exponential phase in a 5 ml fresh LB liquid culture medium, and 50 &#956;l was then taken for seeding in a 5 ml LB culture medium, and cultured until the optical density OD value was about 1.0. The culture was then mixed homogeneously with LB culture medium at a ratio of 1:9 (at an OD of about 0.15), and added to a 12-well plate in an amount of 2 ml/well.2.3 The compounds having quorum sensing inhibitory activity in preliminarily screening were dissolved in DMSO (at a concentration of 0.065M), respectively, and then 10 &#956;l was taken into 10 &#956;l DMSO solution for 2-fold dilution, and so on. Each compound was gradiently diluted to a highest fold of 256 (gradient dilution of 2, 4, 8, 16, 32, 64, 128, 256 fold).2.4 To each well, 15 &#956;l 1000-fold diluted inducer C6-HSL (initial concentration of 0.125M) and 8 &#956;l compound solution at each diluted gradient was added; to the DMSO group, 8 &#956;l DMSO was added; to the blank control group, 8 &#956;l LB culture medium was added. Finally, it was ensured that 2 ml culture in each of the 12-well plate was mixed homogeneously.2.5 The 12-well plate was placed in a 30° C. shaker at 130 rpm and cultured for 10-12 h.2.6 After the culture was finished, 1 ml culture was taken from each well and put in a 1.5 ml EP tube and then centrifuged at 12000 rpm for 10 mins. The supernatant of the culture was sucked out, and 500 &#956;l DMSO was added to each EP tube to dissolve the purple pigment in the culture. After the pigment was completely dissolved, centrifugation was performed at 12000 rpm for 10 mins. 200 &#956;l supernatant pigment was put in a 96-well culture plate, and measured for absorbance value at 585 nm by a Microplate Reader. The absorbance value and the corresponding concentration were plotted to get the IC50 value.
534	1	Plasma Kallikrein Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
535	1	BACE-1 Ki Assay (BACE-1 HTRF FRET Assay)	The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide.A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE-1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE-1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE-1 enzyme. Inhibition of BACE-1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE-1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 milisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined &#956;m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE-1. 
535	2	BACE-2 Assay	Inhibitor IC50s, at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50 values are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation.
536	1	Biological Assay for TBK1 and IKKs	Enzymatic activity of IKK&#949; and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate. An increase in the amount of phopshorylated peptide results in an increase in TR-FRET signal. TBK1 and IKKs were expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from Cisbio. TBK1 and IKK&#949; enzymes were assayed under initial rate conditions in the presence of 2× Km ATP (40-80 &#956;M) and 1 &#956;M peptide, hepes (pH 7), 0.1 mM orthovanadate, 0.02% NaN3, 0.01% BSA, 10 mM MgCl2, 0.01% (v/v) tritonX, 1 mM dithiothreitol, 0.5% (v/v) DMSO at the following concentrations for each enzyme: TBK1 at 2.5 nM and IKK&#949; at 0.3 nM. After an assay reaction time of 240 minutes at 25° C., reactions were terminated with EDTA.Amount of phosphorylated peptide was determined by the addition of 125 nM streptavidin XL665 and europium cryptate labeled anti-phospho monoclonal antibody and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations.
537	1	Biological Assays	The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art. Antagonist constants are determined as follows. The compounds of the invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO dhfr-cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif.) were treated with various concentrations of antagonists of compounds and the Ca2+ response was monitored on a FLIPR384 (Molecular Devices, Sunnydale Calif.) for agonist activity. Then 2,500 nM glutamate was added and the antagonist response was monitored. The maximum calcium response at each concentration of compound for agonist or antagonist were plotted as dose responses and the curves were fitted with a four parameter logistic equation giving IC50 and Hill coefficient using the iterative non linear curve fitting software ADA (Merck & Co).
538	1	In Vitro Cellular Assay	Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measure positive allosteric modulator activity) or an EC50 concentration (to measure antagonism) of carbachol was added using a fluorometric imaging plate reader. Positive allosteric modulator pEC50 values and antagonist pIC50 values for each compound were then determined. PAM Emax values were generated following normalisation between the EC20 base line fluorescence (0%) and maximal carbachol effect (100%). Antagonist Emax values were generated following normalisation between the EC80 fluorescence (0%) and baseline EC0 (DMSO) response (100%). Data analysis was carried out using a 4 parameter logistic nonlinear regression model with the XLFIT (IDBS) excel add-in10. 1-10 Examples 76-80 and 82-89 were tested in a slightly modified procedure. The points of modification and the alternate reagents, concentrations or equipment employed in these examples were: 1200 &#956;g/ml hygromycin B; 2G418 not added; 3CELLBANKER 1; 410E6; 5 40 &#956;l; 6 1 in 99; 7 20 &#956;l; 8FDSS6000 (Hamamatsu Photonics); 9(480Ex, 540Em); 10Spotfire (TIBCO).As measured by the above in vitro assay, compound Examples 1 to 105 are positive allosteric modulators of mAChR M1 displaying the pEC50 values for positive allosteric modulation given in Table 2.
539	1	Human Sigma1 Receptor Radioligand Assay	To investigate binding properties of test compounds to human &#963;1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to MultiScreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH 7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail.
540	1	TR-FRET Assay for Retinol-induced RBP4-TTR Interaction	Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7). Bacterially expressed MBP-RBP4 and untagged TTR were used in this assay. For the use in the TR-FRET assay the maltose binding protein (MBP)-tagged human RBP4 fragment (amino acids 19-201) was expressed in the Gold(DE3)pLysS E. coli strain (Stratagene) using the pMAL-c4x vector. Following cell lysis, recombinant RBP4 was purified from the soluble fraction using the ACTA FPLC system (GE Healthcare) equipped with the 5-ml the MBP Trap HP column. Human untagged TTR was purchased from Calbiochem. Untagged TTR was labeled directly with Eu3+ Cryptate-NHS using the HTRF Cryptate Labeling kit from CisBio following the manufacturer&#39;s recommendations. HTRF assay was performed in white low volume 384 well plates (Greiner-Bio) in a final assay volume of 16 &#956;l per well. The reaction buffer contained 10 mM Tris-HCl pH 7.5, 1 mM DTT, 0.05% NP-40, 0.05% Prionex, 6% glycerol, and 400 mM KF. Each reaction contained 60 nM MBP-RBP4 and 2 nM TTR-Eu along with 26.7 nM of anti-MBP antibody conjugated with d2 (Cisbio). Titration of test compounds in this assay was conducted in the presence of 1 &#956;M retinol. All reactions were assembled in the dark under dim red light and incubated overnight at +4° C. wrapped in aluminum foil. TR-FRET signal was measured in the SpectraMax M5e Multimode Plate Reader (Molecular Device). Fluorescence was excited at 337 nm and two readings per well were taken: Reading 1 for time-gated energy transfer from Eu(K) to d2 (337 nm excitation, 668 nm emission, counting delay 75 microseconds, counting window 100 microseconds) and Reading for Eu(K) time-gated fluorescence (337 nm excitation, 620 nm emission, counting delay 400 microseconds, counting window 400 microseconds). The TR-FRET signal was expressed as the ratio of fluorescence intensity: Flu665/Flu620x10,000.
540	2	Scintillation Proximity RBP4 Binding Assay	Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer&#39;s recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 &#956;l per well in SPA buffer (1×PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7 Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 &#956;M of unlabeled retinol. The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4° C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
542	1	Jak Biochemical HTRF Assay Protocol	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (Xex=337 nm, &#955;em=665 and 615 nm, TRF delay time=20 &#956;s). HTRF signal=10,000*665 nm reading/615 nm reading. After normalization to untreated controls, the percent inhibition of the HTRF signal at each compound concentration was calculated. The plot of percent inhibition versus the log of compound concentration was fit with a 4-parameter dose response equation to calculate IC50 values.Final reaction conditions were:[E] [S] [ATP] [Eu-pY20] [SA-Dylight]Enzyme (nM) (&#956;M) (&#956;M) (nM) (nM)JAK1 1.405 0.75 31.8 9 312.5JAK2 0.052 0.75 8.5 9 312.5JAK3 0.031 0.75 2.9 9 312.5Tyk2 2.612 0.75 6.9 9 312.5Compound concentrations tested were 1496, 499, 175, 49.9, 18.7, 6.2, 2.1, 0.75, 0.24, 0.075, and 0.0125 nM, with 1.25% residual DMSO.
543	1	Biochemical JAK Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for lh. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for lh before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.Test compounds having a higher pKi value in each of the four JAK assays show greater inhibition of JAK activity. Compounds of the invention tested in this assay typically exhibited pKi values between about 7 and about 10.3
544	1	p38 MAPKalpha Enzyme Inhibition Assay	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
544	2	c-Src and Syk Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M. 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
544	4	PBMC Cell Assay	PBMCs from healthy subjects are separated from whole blood using a density gradient (Lymphoprep, Axis-Shield Healthcare). Cells are added to a 96 well plate pre-coated with a mixture of CD3/CD28 monoclonal antibodies (0.3 &#956;g/mL eBioscience and 3 &#956;g/mL BD Pharmingen respectively). Compound at the desired concentration is then added to the wells and the plate left for 3 days under normal tissue culture conditions. Supernatants are harvested and IL-2 and IFN gamma release determined by Sandwich ELISA (Duo-set, R&D System). The IC50 is determined from the dose response curve.
13123	1	Binding to the Recombinant Mouse NLRP3 Protein	Monolith NT. Automated instrument was used to measure the Kd value. A range of concentrations of NSIs were incubated and His-NLRP3 pre-labeled with RED-tris-NTA dye kit (SKU: MO-L018) for 40 min in PBS-T assay buffer (1×PBS with 0.05% Tween® 20). The samples were loaded into NanoTemper® glass capillaries and series of ligand-induced changes in thermophoresis curves were gained using an Excitation power of 80% and a MST power of high. Kd values were calculated using the mass action equation with NanoTemper software from duplicate reads of an experiment.
13124	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay	A one pot detection solution of CRBN-DDB1 (2.5 nM), Anti-His Terbium Cryptate Gold (1×, PerkinElmer Cat. #: 61HI2TLB), and Cy5-Thalidomide (100 nM, Tenova Cat.: T52461) was prepared in 20 mM HEPES, 20 mM NaCl, 0.2 mM TCEP, 0.2 mM EDTA, and 0.005% Tween20 was dispensed to each assay plate. Compounds were stored in dry, ambient temperatures at 10 mM. An 11-point, 1:3 dilution series was prepared from 10 mM stock concentrations in Echo-compatible LDV plates. 10 nL of each compound dilution series was dispensed into assays wells using an Echo 650 (Labcyte Inc. USA). 20 nL of 10 mM Lenalidomide was transferred into the active-control wells for the assay and 20 nL of DMSO was transferred into the neutral-control wells. The assay was then allowed to incubate for 30 min at ambient temperature after transferring compound. Plate measurements were taken on a Pherastar FSX (BMG Labtech, Germany) using the HTRF Red filter (Ex. 337 nm, em1: 620 nm, em2: 665 nm) (Flashes: 50, Integration time: 60-400 us, Z-height: 10 mm, Ratio-multiplier: 10,000). The HTRF signal was then subsequently normalized to the neutral and active controls. Analysis and EC50 values were derived using KNIME analytics (KNIME Zurich) transformation and fitting within Collaborative Drug Discovery (Collaborative Drug Discovery USA). Ki was derived from the geometric mean of the EC50 values using the Cheng-Prustoff transformation.
550	1	TBK1 and IKKE Biological Assays	Enzymatic activity of IKK&#949; and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate. An increase in the amount of phosphorylated peptide results in an increase in TR-FRET signal. TBK1 and IKK&#949; were expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from Cisbio. TBK1 and IKK&#949; enzymes were assayed under initial rate conditions in the presence of 2×Km ATP (40-80 &#956;M) and 1 &#956;M peptide, hepes (pH 7), 0.1 mM orthovanadate, 0.02% NaN3, 0.01% BSA, 10 mM MgCl2, 0.01% (v/v) tritonX, 1 mM dithiothreitol, 0.5% (v/v) DMSO at the following concentrations for each enzyme: TBK1 at 2.5 nM and IKK&#949; at 0.3 nM. After an assay reaction time of 240 minutes at 25° C., reactions were terminated with EDTA.Amount of phosphorylated peptide was determined by the addition of 125 nM streptavidin XL665 and europium cryptate labeled anti-phospho monoclonal antibody and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. 
550	3	hJAK2 Biological Assay	Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate (PTK). An increase in the amount of phosphorylated peptide results in an increase in TR-FRET signal. hJAK2 was expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from PerkinElmer. hJAK2 enzyme was assayed under initial rate conditions in the presence of 2×Km ATP (30 &#956;M) and 1 &#956;M peptide, 50 mM Tris-Cl (pH 7.5), 10 mM MgCl2, 1 mM dithiothreitol, 0.01% BSA, 0.05% (v/v) DMSO at the following concentration of enzyme: hJAK2 at 0.3 nM. After an assay reaction time of 40 minutes at 25° C., reactions were terminated with EDTA and LANCE Detection Buffer.Amount of phosphorylated peptide was determined by the addition of 20 nM SA-APC and 1 nM europium cryptate labeled anti-phospho PTK monoclonal antibody PY66 and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations.
553	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at r.t. to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at r.t. for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at r.t. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at r.t. for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
555	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2×working concentration and incubated at room temperature to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at room temperature for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at room temperature. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at room temperature for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
556	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 &#956;M or less are considered active.The compounds of the invention were found to be inhibitors of one or more of FGFR1, FGFR2, and FGFR3 according to the above-described assay.
558	1	Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes	The IDH1R132H protein and the IDH1R132C protein were prepared as follows: the IDH1R132H or IDH1R132C gene was integrated into a pET24b(+) vector (Novagen) to prepare a construct for C-terminal fusion of 6× histidine tag. After transformation of Rosetta 2 (DE3) E. coli, the expression of the protein was induced with IPTG. The E. coli was collected and homogenized, followed by the affinity purification of the 6× histidine fusion protein using HisTrap HP columns (GE Healthcare Japan Corp.) and gel filtration purification using Superdex 200 columns (GE Healthcare Japan Corp.) to obtain the IDH1R132H or IDH1R132C protein of interest.IDH1R132H and IDH1R132C each convert 2-oxoglutarate and NADPH to D-2-hydroxyglutarate (2-HG) and NADP+. Therefore, the activity of the IDH1R132H and IDH1R132C enzymes can be measured by detecting NADPH levels.The enzyme inhibitory activity evaluation was carried out as follows: 40 &#956;L each of reaction solutions containing different concentrations of each compound (100 mM Tris-HCl (pH 7.5), 150 mM NaCl, 20 mM MgCl2, 0.5 mg/mL bovine serum albumin, 1 mM reduced glutathione, 40 &#956;M NADPH, 0.5 mM 2-oxoglutarate, 0.5% dimethyl sulfoxide, 50000 to 0.128 nM compound, and 12 nM IDH1R132H or 10 nM IDH1R132C as the enzyme) was added to each well of 384-well plates (Greiner Bio One International GmbH, #781096) and incubated at room temperature. While NADPH-derived fluorescence was occasionally monitored, the reaction was terminated by the addition of 5 &#956;L of 0.5 M EDTA before consumption of NADPH. 5 &#956;L of WST-8 reagent (Dojindo Laboratories, #CK04) was further added and mixed therewith. 15 minutes later, the absorbance at 450 nm was measured using a plate reader (PerkinElmer, Inc., EnVision). The observed absorbance value reflects the amount of residual NADPH. From the absorbance data, the enzyme inhibitory activity of each compound at each concentration was calculated and analyzed using medical statistical analysis software GraphPad Prism to calculate an IC50 value.
559	1	IRAK4 Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M (III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
560	1	IRAK4 Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
561	1	Btk Enzyme Activity Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ. ID. NO.: 1), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
562	1	HEK293-Blue-hTLR-7 Cells Ass	A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying the stimulation of human TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene was placed under the control of the IFN-&#946;&#9633; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. The SEAP was induced by activating NF-&#954;B and AP-1 via stimulating HEK-Blue hTLR7 cells with TLR7 ligands. Therefore the reporter expression was regulated by the NF-&#954;B promoter upon stimulation of human TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using QUANTI-Blue kit (Cat.#: rep-qb1, Invivogen, San Diego, Calif., USA) at a wavelength of 640 nm, a detection medium that turns purple or blue in the presence of alkaline phosphatase.HEK293-Blue-hTLR7 cells were incubated at a density of 250,000 ~ 450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/L glucose, 50 U/mL penicillin, 50 mg/mL streptomycin, 100 mg/mL Normocin, 2 mM L-glutamine, 10% (v/v) heat-inactivated fetal bovine serum for 24 h. Then the HEK293-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hours. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 2 hours and the absorbance was read at 620-655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002).
563	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
564	1	Human Indoleamine 2,3-Dioxygenasae (IDO) Enzyme Assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine (See: Sono, M., et al., 1980, J. Biol. Chem. 255, 1339-1345).
565	1	Human indoleamine 2,3-dioxygenasae (IDO) enzyme assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine (See: Sono, M., et al., 1980, J. Biol. Chem. 255, 1339-1345).
567	1	Infectivity Assay	HIV cell culture assay MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 ug/ml penicillin G and up to 100 units/ml streptomycin. The 293T cells were propagated in DMEM media supplemented with 10% heat inactivated FBS, 100 ug/ml penicillin G and 100 ug/ml streptomycin. A recombinant NL4-3 proviral clone, in which a section of the nef gene was replaced with the Renilla luciferase gene, was used to make the reference virus used in these studies. The recombinant virus was prepared through transfection of the recombinant NL4-3 proviral clone into 293T cells using Transit-293 Transfection Reagent from Mirus Bio LLC (Madison, Wis.). Supernatent was harvested after 2-3 days after transfection, and the amount of virus present was titered in MT-2 cells using luciferase enzyme activity as a marker. Luciferase activity was quantitated using the EnduRen Live Cell Substrate from Promega (Madison, Wis.). Antiviral activities of compounds toward the recombinant virus were quantified by measuring luciferase activity in MT-2 cells infected for 4-5 days with the recombinant virus in the presence of serial dilutions of the compound.The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m](Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990).
571	1	In Vitro Pharmacology Assay	The monoamine transporters inhibitory activities of selected cycloalkylmethylamines of Formula (I) are reported herein. The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros, B. et al., Trends Pharmcol. Sci. 1993, 14, 43-49; Gu, H. et al., J. Biol. Chem. 1994, 269(10), 7124-7130; Shearman, L. P. et al, Am. J. Physiol., 1998, 275(6 Pt 1), C1621-1629; Wolf, W. A. et al., J. Biol. Chem. 1992, 267(29), 20820-20825). The human recombinant transporter proteins dopamine (DAT), norepinephrine (NET) and serotonin (SERT) were selected for the in vitro assays. The radioligand binding assays were carried out at 11 different test concentrations 0.1 nM to 1 &#956;M.
572	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
573	1	Solid Phase Receptor Assay (SPRA) for alpha5beta5	Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;5&#946;1 (R&D Systems, 3230-A5) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed fibronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;l of biotinylated anti-&#945;5 antibody (R&D Systems, BAF1864) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of room temperature TMB substrate (Sigma, T444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	2	Solid Phase Receptor Assay (SPRA) for alpha8beta1	Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;l/well) of a 96-well half-well transparent microtiter plate (Greiner 675061), and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+. Recombinant human integrin &#945;8&#946;1 (R&D Systems, pre-launch) was diluted to 0.25 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed nephronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+. To each well, 50 &#956;L of biotinylated anti-&#946; antibody (R&D Systems, BAF1778) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	3	Solid Phase Receptor Assay (SPRA) for alphaVbeta1	Purified human fibronectin (R&D Systems, 1918-FN) diluted to 5 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;1 (R&D Systems. 6579-AV) was diluted to 2.0 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed fibronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 1 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma, T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	4	Solid Phase Receptor Assay (SPRA) for alphaVbeta3	Recombinant human vitronectin (R& D Systems, 2308-VN) diluted to 1 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;3 (R&D Systems, 3050-AV) was diluted to 1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed vitronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma, T4444) added to each well and the plate was incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	5	Solid Phase Receptor Assay (SPRA) for alphaVbeta5	Recombinant human vitronectin (R&D Systems, 2308-VN) at 0.25 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;5 (R&D Systems, 2528-AV) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed vitronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;l of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 &#956;g/mL in TBS+/0.1% BSA at 0.5 &#956;g/mL were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	6	Solid Phase Receptor Assay (SPRA) for alphaVbeta6	Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+, and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C., and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;6 (R&D Systems, 3817-AV) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed LAP-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
573	7	Solid Phase Receptor Assay (SPRA) for alphaVbeta8	Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;l/well) of a 96-well half-well transparent microtiter plate (Greiner 675061), and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+. Recombinant human integrin &#945;v&#946;8 (R&D Systems, 4135-AV) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed LAP-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 1 &#956;g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
574	1	[3H]PK 11195 radio-assay	For the assays described herein systemic injections of kainic in rats were applied and also contusion (Veenman et al. 2002; Soustiel et al. Neuropathol Appl Neurobiol. 2008; Soustiel et al. Exp Neurol. 2008). These models present very well defined cell death in the brain. Cell death in the brain is the major pathological characteristic of progressing neurodegeneration common to brain diseases. As the compounds of the present invention are designed to prevent cell death in the brain as a consequence of disease and progressing brain damage after injury, including behavioral impairments, animal models displaying cell death in the brain are the models of choice for displaying the protective capabilities of the compounds of the invention. For these reasons the R6-2 model for Huntington Disease was chosen to test the effectiveness of Compound 1 and to compare the effectiveness of Compound 1 with those of the compound of U.S. Pat. No. 8,541,428 (Cpd A) and with the classical TSPO ligand PK 11195, as well as other compounds disclosed herein. Compounds 5 and 6 were also tested in the same R6-2 model.
575	1	fluorescence polarization assay	The fluorescent labeled small molecule used in the present invention was VER-00051001 (synthesized by reference to the synthetic method described in JMC, 2008, 51, 196-218). The reaction was carried out in a 384-well black plate, using the reaction hydrophobic protein HFB buffer: 100 mM Tris.Cl pH 7.4, 20 mM KCl, 6 mM MgCl2, 5 &#956;g/mL BSA, 25 nM full-length Hsp90U, 10 nM VER-51001. The volume of the reaction system was 50 mL, containing 5 nM GM-BODIPY (geldanamycin), 30 nM HSP90 and the test small molecular compound or DMSO (dimethyl sulfoxide), wherein the DMSO content was 2% o. Additional two group wells were established, wherein the wells only added with HFB buffer were used as blank controls, and the wells further added with 5 nM GM-BODIPY were used as negative controls. The reaction was carried out at 4° C. for 12-16 hours. The mP value was measured by Biotek microplate reader at 485 nm of excitation wavelength and 535 nm of emission wavelength. The inhibition rate was calculated using the following equation:(Compound-free mP&#8722;Compound mP)/(Compound-free mP&#8722;negative control mP)×100%After the inhibitory rates of the compound at different concentrations were calculated, the IC50 of the compound can be calculated.
577	1	Inhibition of Human BACE-1	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-1 activity as a function of the test compound concentration.
577	2	Inhibition of Human BACE-2	Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-2 activity as a function of the test compound concentration.
577	3	Inhibition of Cellular Release of Amyloid Peptide 1-40	Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well into 96-well microtiter plates and cultivated for 24 hours in DMEM cell culture medium containing 10% FCS. The test compound is added to the cells at various concentrations, and the cells are cultivated for 24 hours in the presence of the test compound. The supernatants are collected, and the concentration of amyloid peptide 1-40 is determined using state of the art immunoassay techniques, for example sandwich ELISA, homogenous time-resolved fluorescence (HTRF) immunoassay, or electro-chemiluminescence immunoassay. The potency of the compound is calculated from the percentage of inhibition of amyloid peptide release as a function of the test compound concentration.
579	1	Hsp90 chaperone assay	The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incubated with different concentrations of test compounds in denaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol) at room temperature for 30 min. Luciferase protein was added to denaturation mix and incubated at 50° C. for 8 min. The final concentration of HSP90 and luciferase in denaturation mixture were 0.375 &#956;M and 0.125 &#956;M respectively. A 5 &#956;l sample of the denatured mix was diluted into 25 &#956;l of renaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol, 0.5 mM ATP, 2 mM DTT, 5 mM KCl, 0.3 &#956;M HSP70 and 0.15 &#956;M HSP40). The renaturation reaction was incubated at room temperature for 150 min, followed by dilution of 10 &#956;l of the renatured sample into 90 &#956;l of luciferin reagent (Luclite, PerkinElmer Life Science). The mixture was incubated at dark for 5 min before reading the luminescence signal on a TopCount plate reader (PerkinElmer Life Science).
579	2	HSP90 Competition Binding (Fluorescence Polarization) Assay	A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis for the fluorescence polarization assay. A free and fast-tumbling FITC labeled GM emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When GM is bound to HSP90, the complex tumble slower and the emitted light is polarized, resulting in a higher mP value. This competition binding assay was performed in 96-well plate and with each assay contained 10 and 50 nM of labeled GM and purified HSP90 protein (Assay Design, SPP-776F) respectively. The assay buffer contained 20 mM HEPES (pH 7.3), 50 mM KCl, 1 mM DTT, 50 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40 with 0.1 mg/ml bovine gamma-globulin. Compounds are diluted in DMSO and added to the final assay before labeled GM with concentration range from 20 uM to 2 nM. mP value was determined by BioTek Synergy II with background subtraction after 24 hours of incubation at 4° C.
581	1	G-402 cell line assay	Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specifically we developed stable G-402 cells expressing ectopically human CYP11B1, human CYP11B2, human CYP11A1, cynmolgus CYP11B1 or cynomolgus CYP11B2 enzyme activity. Importantly the identified cell line G-402 expresses co-factors (adrenodoxin and adrenodoxin reductase) important for the activity of the CYP11 family and no relevant enzyme activity of the CYP11 family (in comparison to H295R cells) was detected in these cells. Therefore the G-402 cell line is uniquely suited as a host cell for the ectopic expression of enzymes from the CYP11 family.G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate.G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy&#39;s 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &#956;g/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.Inhibition of the release of produced steroids can be used as a measure of the respective enzyme inhibition by test compounds added during the cellular enzyme assay. The dose dependent inhibition of enzymatic activity by a compound is calculated by means of plotting added inhibitor concentrations (x-axes) vs. measured steroid/product level (y-axes). The inhibition is then calculated by fitting the following 4-parameter sigmoidal function (Morgan-Mercer-Flodin (MMF) model) to the raw data points using the least squares method:y = AB + Cx D B + x D wherein, A is the maximum y value, B is the EC50 factor determined using XLFit, C is the minimum y value and D is the slope value.
582	1	Primer Extension Assay	(((Guanine-9-yl) propan-2-oxy) methyl) phosphonic acid diphosphate (PMPGpp) acts as a chain terminator and competes with dGTP.Purified human telomerase was incubated with d(TTAGGG)3 (SEQ ID NO: 1) and deoxy-nucleoside triphosphates for 90 minutes at 37° C. All reactions were done in the presence of 200 dTTP and 10 &#956;M dATP (50,000 cpm/pmol a-33P-dATP). Activity was determined by incubating affinity purified telomerase extract with 1 &#956;M primer [d(TTAGGG)3] (SEQ ID NO: 1), 200 &#956;M dTTP, 50 &#956;M dGTP, 10 &#956;M dATP, 10 &#956;Ci [&#945;-33P]dATP (2000-4000 Ci/mmol) in a buffer containing 50 mM (N-2-hydroxyethyl piperazine-N&#8242;-3 propanesulfonic acid)-NaOH pH 8.5, 1 mM MgCl2, 1 mM DTT, 5% glycerol, 0.5 mM EGTA and 100 mM KOAc in a final reaction volume of 40 &#956;l. Primer extension products were analyzed on a 15% polyacrylamide gel containing 7 M urea. A characteristic telomerase ladder has multiple bands. If a compound is not a substrate then (TTAGGG)3TTA (21 nt) (SEQ ID NO: 2). If a compound is a chain terminator then (TTAGGG)3TTAG* (22 nt) (SEQ ID NO: 3).FIG. 1 is a photograph of a 15% polyacrylamide gel containing 7 M urea showing the primer extension products in the presence of compounds. Reactions containing 50 or 100 &#956;M dGTP, (lanes 1 and 2) show a characteristic 6 nucleotide ladder. Lanes 8-11 contain increasing concentrations of PMPGpp (ID#142692) in addition to 50 &#956;M dGTP. Lane 12 contains only 50 &#956;M PMPGpp (ID#142692). Lanes 3-7 show a comparison using the known chain terminator, 3&#8242;-azido-dGTP.IC 50s for (R)-PMPGpp and (S)-PMPGpp are shown in Table 3. (R)-(((Guanine-9-yl) propan-2-oxy) methyl) phosphonic acid diphosphate is efficiently recognized by human telomerase and added to the 3&#8242; end of a telomeric primer resulting in chain termination. The molecule competes with dGTP and when measured in a cell free assay, using purified telomerase and dGTP concentrations of 50 &#956;M, shows an IC50 of about 1.0 &#956;M.
582	2	Ex-Vivo Assay	Telomerase inhibition is observed in cells following the addition of the prodrugs (R)-PMPG-diisopropyloxy ester or (S)-PMPG-diisopropyloxy ester. HT3 cells were treated for three days with increasing concentrations of PMPG-diisopropyloxy ester ranging from 0.2 &#956;M to 20 &#956;M. Cells (HT3 RPMI+10% PBS) were incubated with compound for 24 hr after which PSTS primer (phosphorothioate-d(AATCCGTCGAGCAGAGTT (SEQ ID NO: 6) containing a 5&#8242; Cy-5 label) (7.5 &#956;M) and fresh compound are added for an additional 24 hr. Cells were lysed and endogenous telomerase inactivated by heating (15 min, 75° C.). Products were amplified by 30 cycles of PCR under TRAP conditions set forth above and quantified.
584	1	FLT3 Kinase Biochemical Assay	i. Enzyme The assay was performed using FLT3 cytoplasmic domain product and purified in house as GST fused protein. The FLT3 protein (1 microM) was pre activated with 800 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. FLT3 Kinase Buffer (KB) Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 4 mM MgCl2, 1 mM DTT, 10 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay Conditions The FLT3 kinase assay was run with a final pre activated enzyme concentration of 2 nM, in the presence of 254 microM ATP (residual ATP from KIT pre activation step is negligible), 8 nM 33P-&#947;-ATP and 55 microM of substrate BioDB n*24 (Aminoacidic sequence: GGKKKVSRSGLYRSPSMPENLNRPR SEQ ID NO: 1). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).
584	2	KIT Kinase Biochemical Assay	i. Enzyme The assay has been performed using KIT cytoplasmic domain product and purified in house as GST fused protein. The KIT protein (4.5 microM) was pre activated with 300 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. KIT Kinase Buffer (KB) Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 5 mM MgCl2, 1 mM MnCl2, 10 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay Conditions The KIT kinase assay was run with a final pre activated enzyme concentration of 4 nM, in the presence of 4.4 microM ATP (residual ATP from KIT pre activation step is negligible), 3.9 nM 33P-&#947;-ATP and 2.5 microM of substrate BioDB n*138 (Aminoacidic sequence: KVVEEINGNNYVYIDPTQLPYDHKWEFPRNR SEQ ID NO: 2). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).Compound Testingi. Compound Dilution For IC50 determination, test compounds were received as a 1 mM solution in 100% DMSO, distributed into 96 well plates: compounds were then plated into the first column of a microtiter plate (A1 to G1), 100 microL/well. An automated station for serial dilutions (Biomek FX, Beckman) was used for producing 1:3 dilutions in 100% DMSO, from line A1 to A10, and for all the compounds in the column. Moreover, 4-5 copies of daughter plates were prepared by reformatting 5 microL of this first set of 100% DMSO dilution plates into 384 deep well-plates: one of these plates with the serial dilutions of test compounds was thawed the day of the experiments, reconstituted at a 3× concentration with water and used in the IC50 determination assays. In a standard experiment, the highest concentration (3×) of all compounds was 30 microM, while the lowest one was 1.5 nM.Each 384 well-plate contained at least one curve of the standard inhibitor staurosporine and reference wells (total enzyme activity vs. no enzymatic activity) for the Z and signal to background evaluation.
585	1	Biochemical JAK Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
586	2	In Vitro Assays for IDH1m (R132H or R132C)	The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
586	4	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reaction is started by the addition of NADPH and &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear with respect for time for consumption of both cofactor and substrate. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 100× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.25 &#956;g/ml IDH2 R140Q protein. The test compound is then incubated for one hour at room temperature with the enzyme; before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 4 &#956;M NADPH and 1.6 mM &#945;-KG in the buffer described above. After a further 16 hours of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.For determination of the inhibitory potency of compounds against IDH2 R140Q in an assay format similar to the above, a similar procedure is performed, except that the final testing concentration is 0.25 &#956;g/ml IDH2 R140Q protein, 4 &#956;M NADPH and 1.6 mM &#945;-KG.For determination of the inhibitory potency of compounds against IDH2 R140Q in a high throughput screening format, a similar procedure is performed, except that 0.25 &#956;g/ml IDH2 R140Q protein is utilized in the preincubation step, and the reaction is started with the addition of 4 &#956;M NADPH and 8 &#956;M &#945;-KG.
586	1	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	In the primary reaction, the reduction of &#945;-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH remaining at the end of the reaction time is measured in a secondary diaphorase/resazurin reaction in which the NADPH is consumed in a 1:1 molar ratio with the conversion of resazurin to the highly fluorescent resorufin. Uninhibited reactions exhibit a low fluorescence at the end of the assay, while reactions in which the consumption of NADPH by R132H IDH1 has been inhibited by a small molecule show a high fluorescence.The primary reaction is performed in a volume of 50 &#956;L 1× Buffer (150 mM NaCl, 20 mM Tris 7.5, 10 mM MgCl2, 0.05% (w/v) bovine serum albumin), contained 0.25 ug/mL (2.7 nM) IDH1 wt/IDH1 R132H heterodimer, 0.3 mM alpha-ketoglutarate, 4 &#956;M NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation), and 1 uL of 50× compound in DMSO. The mixture of compound, enzyme, and cofactor is pre-incubated at room temperature for 1 hr prior to the addition of alpha-ketoglutarate. To perform the secondary reaction, 10 uL of 1× buffer containing 36 &#956;g/ml diaphorase and 30 mM resazurin is added to the primary reaction and incubated for a further 5 minutes at 25° C. Florescence is read on a Spectramax platereader at Ex 544 Em 590. Compounds or compound dilutions are prepared in 100% DMSO concentration and diluted 1:50 into the final reaction. IDH1 wt/IDH1 R132C is assayed under similar conditions except that 1× Buffer is 50 mM K2HP04, pH 6.5; 10 mM MgCl2; 10% glycerol; 0.03% (w/v) bovine serum albumin and final concentrations are 0.4 ug/mL (4.3 nM) IDH1 wt/IDH1 R132C heterodimer, 0.02 mM alpha-ketoglutarate, 4 uM NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation). IC50s are determined.IDH1 or IDH2 wildtype (wt) and mutant heterodimers are expressed and purified by methods known in the art. For example, IDH1wt/R132m heterodimer is expressed and purified as follows. Co-expression of IDH1wt-his and IDH1R132C-flag is carried out in sf9 insect cells. Cells (25 g) are resuspended in 250 ml of 50 mM Tirs, 500 mM NaCl, pH7.4, at 4° C. with stirring. Cells are disrupted with 4 passes through an M-Y110 Micro fluidizer (Microfluidics) set to 500 psi, and then centrifuged at 22,000 rcf for 20 min at 4° C. The supernatant is harvested and loaded at 15 cm/h on a Histrap FF 5*1 ml column (GE) which is equilibrated with 50 mM Tirs, 500 mM NaCl, pH7.4. Host cell contaminants are removed by washing the column with equilibration buffer followed by equilibration buffer containing 20 mM imidazole and 60 mM imidazole to baseline. IDH1wt-his homodimer and IDH1wt-his/IDH1R132C-flag are eluted by equilibration buffer containing 250 mM imidazole. Fractions eluted by 250 mM imidazole are pooled together and loaded at 15 cm/h onto a column pre-packed with 10 ml ANTI-FLAG M2 Affinity Gel (Sigma), the column is equilibrated with 50 mM Tris, 500 mM NaCl, pH7.4. After washing with equilibration buffer, IDH1wt-his/IDH1R132C-flag heterodimer is eluted by equilibration buffer containing flag peptide (0.2 mg/ml). Aliquots of IDH1wt-his/IDH1R132C-flag are flash frozen in liquid N2 and stored at &#8722;80° C. Same conditions are used for the purification of IDH1wt-his/IDH1R132H-flag.
13125	1	Factor B Binding Assay by TR-FRET	Table 1: Factor B binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) technology. 10 nM recombinant his-tagged Factor B catalytic domain, varying concentrations of inhibitors, 4 nM LANCE Eu-W1024 Anti-6×His Antibody and 100 nM TR-FRET_tool2 tracer was incubated in 1× Kinase Buffer A for 1 h. Measurement was performed in a reaction volume of 15 μL by adding 5 μL of the test compound, 5 μL of Factor B/antibody mixture and 5 μL of tracer into white opaque 384-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence Emission Ratio (665 nm/615 nm) against the inhibitor concentration to estimate the IC50 from [Compound] vs Emission Ratio using the four parameters dose-response inhibition curve with a variable slope model in GraphPad Prism.
13125	2	Target Residence Time of Factor B Inhibitors Determined by Surface Plasmon Resonance (SPR)	Table 2: Biacore 8 k instrument was primed using 1× PBS-P+ buffer before docking a Cytiva NTA chip. Recombinant human Factor B catalytic domain were immobilized on a NTA chip to a level of about 5000 resonance units (RU) using 1× PBS-P+ buffer [20 mM phosphate buffer with 2.7 mM KCl, 137 mM NaCl, and 0.05% (v/v) Tween-20]. The protein ligand was further crosslinked to sensorchip surface by amine coupling kit. Immobilization and binding experiment were performed at room temperature.After changing buffer to 1× PBS-P+ buffer with 2% (v/v) DMSO, a pre-run was performed for a period of at least 30 min at a flow rate of 30 μl/min to obtain a stable surface. The kinetic constants of the compounds were determined by single-cycle kinetics with six consecutive injections (or multi-cycle kinetics with eight consecutive injections) with an increasing compound concentration in ranges of 0.8-200 nM, 12.5-400 nM, 4.1-1,000 nM or 41-10,000 nM depending on the potency. Single-cycle kinetics experiments were performed with an association time of 60 s per concentration and a dissociation time of 300 s (or a dissociation time of 120 s for multi-cycle kinetics experiments). A flow rate of 30 μl/min was used. A blank run with the same conditions was performed before the compound was injected.
13126	1	Phosphate Sensor Fluorescence Assay	For the assay, a mixture of 1 mM L-methionine/1 mM ATP (2× final pre-stopped concentration) in assay buffer; MAT2A (2× final pre-stopped concentration) in Assay Buffer and Working Phosphate Sensor Mixture (1.5 uM Phosphate Sensor/30 mM EDTA in Assay Buffer, which is 3× final concentrations) were prepared. Test compounds or DMSO were added to the appropriate well using a Beckman Coulter Echo 550 acoustic liquid handler. 10 μl/well of Assay Buffer was added to the wells corresponding to the negative control and 10 μl/well of MAT2A was added to all the wells except for those corresponding to the negative control. After incubating the plate at room temperature for 15 minutes, 10 μl/well of the 1 mM L-methionine/1 mM ATP mixture was added to all wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 10 μl of the Working Phosphate Sensor Mixture was added to all wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was read for fluorescence at 450 nm after exciting at 430 nm on a Tecan Spark microplate reader.
586	3	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132H homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol) containing 5 &#956;M NADPH and 37.5 &#956;M NADP; 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 60 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: IDH1-R132C homodimer enzyme is diluted to 0.1875 &#956;g/ml in 40 &#956;l of Assay Buffer (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA) containing 5 uM NADPH and 28.75 uM NADP. The concentration of alpha-ketoglutarate in the Substrate Buffer is 1 mM.
13127	1	Adenosine Receptor Time-Resolved Fluorescence Resonance Energy Transfer (TRFRET) Binding Assay	All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, France), 100 μg/mL saponin, 1% DMSO and 0.02% pluronic acid. Binding of the fluorescently labelled Adenosine receptor antagonist XAC (CA200645, FRET acceptor) to terbium-labelled A1, A2a, A2b and A3 adenosine receptors (FRET donors) was detected by time-resolved FRET due to the close proximity of the donor and acceptor in a binding event. To investigate the ability of unlabelled test compounds to bind to Adenosine A1, A2a, A2b and A3 receptors, dose response curves were constructed that determined the ability of a range of concentrations to inhibit the binding of 30 nM CA200645 to the A2b receptor and 100 nM CA200645 to the A1, A2a, and A3 receptor.Serial dilution (1:3 dilutions) of test compounds in neat DMSO and transfer of a 400 nL sample of test compound into the assay plate was carried out using the Mosquito (TTP Labtech, UK). The compound samples were incubated for 2 hours at room temperature with a fixed concentration of CA200645 defined for each receptor (see above) and CHO cell membranes containing the human Adenosine A1 (0.5 μg/well), A2a (0.3 μg/well), A2b (1 μg/well) or A3 (1 μg/well) receptor in 40 μL of assay buffer. Total and non-specific binding of CA200645 was determined in the absence and presence of 10 μM XAC, respectively. Following 2 hours incubation, the level of CA200645 binding was detected on a Pherastar FSX (BMG Labtech, Germany) using standard TR-FRET settings. The terbium donor was excited with three laser flashes at a wavelength of 337 nm, and donor and acceptor emission was detected at 620 nm and 665 nm wavelengths, respectively.
586	5	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, then the reaction is started by the addition of &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 50× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.39 &#956;g/ml IDH2 R140Q protein, 5 uM NADPH and 750 uM NADP. The test compound is then incubated for 16 hrs at room temperature with the enzyme and cofactors before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 8 mM &#945;-KG (final concentration 1.6 mM) in the buffer described above. After a further 1 hour of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.
588	1	Inhibitory Effect on hCYP11B2	The pcDNA3.1-human CYP11B2 plasmid was transfected into a Chinese hamster lung fibroblast V79 cell line to produce a cell line stably expressing human CYP11B2 gene.The cells were cultured and grown in the Dulbecco&#39;s modified Eagle&#39;s/Ham&#39;s medium supplemented with 10% fetal bovine serum and 1% G418 disulfate solution under the environment of 37° C., 95% air, and 5% CO2, and the grown cells were harvested.Then, the cells were fractionated to obtain mitochondria by reference to a method described in Chabre et al. JCE 86 M 85 (11) 4060-68, 2000. In particular, the cells suspended in a 5 mmol/L Tris-HCl buffer (pH 7.4) containing 250 mmol/L sucrose were homogenized in a Teflon (Registered Trademark) Potter Elvehjem homogenizer, and then the suspension was centrifuged (800×g, 15 min.). The supernatant was separated and again centrifuged (10000×g, 15 min.) to obtain a pellet (mitochondrial fraction).The mitochondrial fraction diluted with a buffer containing 10 mmol/L KH2PO4, 10 mmol/L Tris, 20 mmol/L KCl, 25 mmol/L sucrose, 5 mmol/L MgCl2, and 0.05% bovine serum albumin was dispensed to a 96-well plate. 0.5 &#956;mol/L Deoxycorticosterone, 150 &#956;mol/L NADPH and a compound of each concentration were added to each well, and incubated for 1.5-2 hours at room temperature to produce aldosterone. An amount of the produced aldosterone in the incubated solution was determined by using HTRF (Homogeneous Time Resolved Fluorescence) method.IC 50 (nmol/L) was calculated by analyzing the aldosterone production inhibition rate (%) of each concentration of compounds by non-linear regression to a logistic curve.
589	1	In Vitro Kinase Assay Inhibition of ALK1/2/3/4/5/6 Kinases	Compound of the invention were screened in an in vitro kinase assay against several members of the TGF&#946; family of Ser/Thr kinases. The kinases tested were ALK1 (ACVRL1), ALK2 (ACVR1), ALK3 (BMPR1A), ALK4 (ACVR1B), ALK5 (TGFBR1), and ALK6 (BMPR1B). Standard kinase testing conditions and techniques were employed. For each case, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compound of the invention were delivered into the reaction, followed 15-20 min later by addition of a mixture of ATP and 33P ATP to a final concentration of 10 &#956;M. Reactions were carried out at RT for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper. Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. Kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle. IC50 values were generated from activity values performed at multiple concentrations.
590	1	In Vitro M4 &M2 Functional Assay	The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused by signalling cascades mediated by the receptor. Intracellular Calcium levels were measured using a calcium sensitive fluorescent dye, calcium 5 (Molecular Devices) The changes in fluorescence were monitored by a fluorescent imager, FLiPR Tetra (Molecular devices). Increases in intracellular calcium were readily detected upon activation of both receptors by the muscarinic receptor agonist Acetylcholine.CHOK1 cells stably expressing human M4 or M2 receptor and co-expressing the accessory g-protein G&#945;16 were routinely grown as monolayers in Hams-F12 medium (Invitrogen) supplemented with 10% foetal bovine serum (FBS) (Hyclone), 500 ug/mL Geneticin and 250 ug/mL zeocin (both invitrogen) in 5% CO2 at 37° C. Once confluent is cells cryopreserved by freezing at &#8722;186° C. in freezing solution (90% FBS 10% DMSO) (Sigma-Aldrich Co.). Twenty-four hours prior to testing cells resuscitated and freezing media removed via centrifugation, cells then seeded in a black walled clear bottom 384 well plates (Corning) at a density of 15,000 cells/well in Hams F12 media supplemented with 10% FBS. On the day of assay, growth media was removed and replaced with 63 &#956;l of Calcium 5 dye solution (Molecular Devices) in assay buffer (HBSS, 20 mM HEPES, 0.1% BSA, 1 mM Probenecid pH7.4 (Sigma-Aldrich Co.)) per well (each vial of Calcium 5 resuspended in 27 mL of assay buffer). Cells were then incubated for 45 minutes at 37° C., 5% CO2. Compound was serially diluted in DMSO (log/half log) before being diluted 1:20 with assay buffer. 7 &#956;l of compound diluted in assay buffer was then added to cells on FLiPR tetra and fluorescence intensity measured for 5 minutes. EC50 values for compounds were determined from ten point half log scale dose-response studies and represent the concentration of compound required to prevent 50% inhibition of its own maximal response. Curves were generated using the average of duplicate wells for each data point and analyzed using non-linear regression of four parameter dose response. Percentage Relative efficacy (RE) to an EC100 concentration of acetylcholine was reported for all compounds. The results are set out in Table 3 below in which the term No Response means that there was no significant response of calcium flux in the assay indicative of agonism.
592	1	In Vitro Competitive Activity-Based Protein Profiling	Proteomes (mouse brain membrane fraction or cell lysates) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (50 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL, ABHD6 and FAAH using ImageJ 1.43u software. Data from this assay is shown in Table 2 (% inhibition at 1 &#956;M).
592	2	In Vitro Competitive Activity-Based Protein Profiling (Human)	Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh or JW912 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49k software.
594	1	Aequorin Assay with Human NK-3 Receptor	Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay. Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium.Antagonist TestingThe antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC80 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.Inhibition curves are obtained for compounds of the invention and the concentrations of compounds which inhibit 50% of reference agonist response (IC50) were determined (see results in table 2 below). The IC50 values shown in table 2 indicate that compounds of the invention are potent NK-3 antagonist compounds.
594	2	Competitive Binding Assays NK-3 receptor	The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 binding competition assay with human NK-3 receptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973)
594	3	Selectivity Assay with Human NK-1	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnC12/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
594	4	Selectivity Assay with Human NK-2	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).The compounds of the invention, which were tested in the above NK-1 and NK-2 described assays, demonstrated a low affinity at the human NK-1 and human NK-2 receptors: more than 200 fold shift of the Ki compared to the human NK-3 receptor (table 3). Thus, compounds according to the invention have been shown to be selective over NK-1 and NK-2 receptors.
594	5	hERG Inhibition Assay	The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (IKr) which is involved in cardiac repolarisation. IKr current inhibition has been shown to elongate the cardiac action potential, a phenomenon associated with increased risk of arrhythmia. IKr current inhibition accounts for the vast majority of known cases of drug-induced QT-prolongation. A number of drugs have been withdrawn from late stage clinical trials due to these cardiotoxic effects, therefore it is important to identify inhibitors early in drug discovery.The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG).Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 &#956;M; 3 &#956;M; 10 &#956;M; 30 &#956;M) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models.The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from &#8722;80 mV to a maximum value of +40 mV, starting with &#8722;40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to &#8722;55 mV, after each of these incremented steps, for 1 second and finally repolarized to &#8722;80 mV for 1 second.The current density recorded were normalized against the baseline conditions and corrected for solvent effect and time-dependent current run-down using experimental design in test compound free conditions.Inhibition curves were obtained for compounds and the concentrations which decreased 50% of the current density determined in the baseline conditions (IC50) were determined. All compounds for which the IC50 value is above 10 &#956;M are not considered to be potent inhibitors of the hERG channel whereas compounds with IC50 values below 1 &#956;M are considered potent hERG channel inhibitors.
595	3	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 M KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 300). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 ml/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices). Results are shown in the table below.
595	4	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 uM or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. 
596	1	sGC Binding Assay	The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition binding assay using [3H] Ex-77B as the radioligand.[3H] Ex-77B was prepared using a standardardized tritium exchange procedure. The parent (non-labeled) molecule was first iodinated then a Pd-catalyzed iodine to tritium exchange provided the labeled compound.Method: The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 &#956;M DETA/NO and 400 &#956;M GTP. Assays were conducted in 96-well plates in a total volume of 200 &#956;L. Recombinant human sGC protein (40 ng) was incubated with 1.6 nM [3H] Ex-77B for 24 hours at 37° C. in the presence and absence of various concentrations of sGC testing compounds delivered as DMSO solutions to give a total of 1% organic solvent content. Non-specific binding was defined by competition with 1 &#956;M of Ex-77B. After the incubation period, the binding mixtures were loaded onto the gel-filtration plate (ThermoFischer Cat. No. 89808) pre-equilibrated with binding buffer and spun at 1000×g for 3 min at 4° C. on a Bench top centrifuge. The collected eluates in White Frame Clear Well Isoplates (Perkin Elmer Cat #6005040) received 100 &#956;l of UltimaGold scintillation cocktail. The sealed plates were shaken vigorously and span, and counted after 6 hours with a Wallac Microbeta TriLux 1450 LSC & Luminescence Counter (Perkin Elmer). Data from competition experiments were analyzed to determine Ki values using one site fit Ki equation.
597	1	Antimicrobial Susceptibility Testing Assay	The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure:The assay used a 10-points Iso-Sensitest broth medium to measure quantitatively the in vitro activity of the compounds against A. baumannii ATCC 17978.Stock compounds in DMSO were serially twofold diluted (e.g. range from 50 to 0.097 &#956;M final concentration) in 384 wells microtiter plates and inoculated with 49 &#956;l the bacterial suspension in Iso-Sensitest medium to have a final cell concentration of 5×10(5) CFU/ml in a final volume/well of 50 ul/well. Microtiter plates were incubated at 35±2° C.Bacterial cell growth was determined with the measurement of optical density at &#955;=600 nm each 20 minutes over a time course of 16 h.Growth inhibition was calculated during the logarithmic growth of the bacterial cells with determination of the concentration inhibiting 50% (IC50) and 90% (IC90) of the growth.Tables 3, 4 and 5 provide the 50% growth inhibitory concentrations (IC50) in micromoles per liter of the compounds of present invention obtained against the A. baumannii strain ATCC17978.
598	1	Ussing Chamber Assay	Single-Channel Recordings activity of wt-CFTR and temperature-corrected &#916;F508-CFTR expressed in NIH3T3 cells was observed using excised inside-out membrane patch recordings as previously described (Dalemans, W., Barbry, P., Champigny, G., Jallat, S., Dott, K., Dreyer, D., Crystal, R. G., Pavirani, A., Lecocq, J-P., Lazdunski, M. (1991) Nature 354, 526-528) using an Axopatch 200B patch-clamp amplifier (Axon Instruments Inc.). The pipette contained (in mM): 150 NMDG, 150 aspartic acid, 5 CaCl2, 2 MgCl2, and 10 HEPES (pH adjusted to 7.35 with Tris base). The bath contained (in mM): 150 NMDG-Cl, 2 MgCl2, 5 EGTA, 10 TES, and 14 Tris base (pH adjusted to 7.35 with HCl). After excision, both wt- and &#916;F508-CFTR were activated by adding 1 mM Mg-ATP, 75 nM of the catalytic subunit of cAMP-dependent protein kinase (PKA; Promega Corp. Madison, Wis.), and 10 mM NaF to inhibit protein phosphatases, which prevented current rundown. The pipette potential was maintained at 80 mV. Channel activity was analyzed from membrane patches containing &#8804;2 active channels. The maximum number of simultaneous openings determined the number of active channels during the course of an experiment. To determine the single-channel current amplitude, the data recorded from 120 sec of &#916;F508-CFTR activity was filtered off-line at 100 Hz and then used to construct all-point amplitude histograms that were fitted with multigaussian functions using Bio-Patch Analysis software (Bio-Logic Comp. France). The total microscopic current and open probability (Po) were determined from 120 sec of channel activity. The Po was determined using the Bio-Patch software or from the relationship Po=I/i(N), where I=mean current, i=single-channel current amplitude, and N=number of active channels in patch.
599	1	KDM5 Enzyme Assay	Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing Eu-labeled H3K4me1-2 antibody, and streptavidin-XL665) were purchased from Cis-Bio International. Plates were read on an Envision multi-label plate reader (Perkin Elmer).The HTRF assay mixture contained 2 nM full length KDM5A enzyme, 100 nM H3K4Me3 peptide substrate, 1 uM 2-OG, 100 uM Fe2+, 500 uM ascorbate. 50 mM HEPES pH 7.0 buffer, 0.01% Triton-X 100, 2 mM DTT, 0.25% DMSO at a final volume of 10 uL.The enzyme reaction was carried out at room temperature in black Proxiplate 384-Plus plate (Corning. Costar) within 30 minutes, in the presence of varying concentration of a test compound. At the end of enzyme reaction, 5 uL of 1 mM EDTA were added to quench the reaction and then the detection reagents (5 uL) were added to give final concentrations of 0.5 nM Eu-labeled H3K4me1-2 antibody, and 50 nM streptavidin-XL665. The plates were incubated at room temperature for 60 minutes and then read in the Envision plate reader. The readouts were transformed into % inhibition, and IC50 value of a test compounds was generated by using four parameters curve fitting (Model 205 in XLFIT5, iDBS).
602	1	JAK Caliper Enzyme Assay at 1 mM ATP	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
604	1	PI3K-gamma Scintillation Proximity Assay	&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
604	2	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St. Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
605	1	Tau binding assay	For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations were made in 100% DMSO at 1000× final assay concentration and 0.225 &#956;l aliquots were dispensed into assay plates. Brain homogenates were diluted to 0.5 mg/mL from original 30 mg/mL volume in Assay Buffer, and 200 &#956;l were added to the assay plate for a final concentration of 100 &#956;g wet weight/assay tube. [3H]-6 was prepared at 100× final concentration in Assay Buffer plus 20% DMSO and 25 &#956;l was added to the assay plate for final assay concentration of 0.25 nM. The assay plate was incubated at room temperature (25° C.) for 90 minutes. Unbound and bound ligand were separated by filtration of bound onto GF/C filter plates (pre-treated for 30 min with 0.2% polyethyleninamine) using a Packard UniFilter Harvester and washing away unbound with 2.5 ml per well ice cold 5 mM Tris at pH 7.4. Filter plates were dried for 1 hour in a vacuum oven and 50 &#956;l/well MicroScint-20 were added. Plates were counted 1 min per well by Packard Topcount. Total amount of radioligand used in the assay was determined by counting 25 &#956;l of 10× ligand stock. Data was analyzed using Activity Base software to generate 4 p fit of dose responses; and, Ki values were calculated.
607	1	GPR120 pERK AlphaScreen SureFire Assay	The human and mouse GPR120-mediated intracellular phosphorylated ERK assays were established using CHOA12 cells stably transfected with the short form of human or mouse GPR120 receptor. Cells were cultured in growth medium consisting of F-12 media (Invitrogen Cat. #11765) with 5% Charcoal/Dextran FBS (Invitrogen Cat. #12676-029), 500 &#956;g/mL GENETICIN (Life Technologies Cat. #10131-027) and 250 &#956;g/mL Zeocin (Invitrogen Cat. #R250-01). Cells were cryo preserved at a concentration of 2×107 cells/mL, in 90% Charcoal/Dextran FBS and 10% DMSO, and frozen in liquid nitrogen at a low passage number.For the pERK assay, 2×107 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containing 50 mL growth medium. The flasks were placed in a tissue culture incubator overnight (37° C., 5% CO2). The next day, cells were harvested with trypsin (Gibco Cat. #25300-054), resuspended in serum-containing growth medium and counted using a Cellometer and volume adjusted to a concentration of 0.6×106 cells/mL. Cells were plated into 384-well clear bottom tissue culture plates (BD Cat. #353962) at 50 &#956;L/well, for a density of 30,000 cells/well using a MULTIDROP and incubated for 16-18 hours (overnight) at 37° C. with 5% CO2. The next day, cells were serum starved in 30 &#956;L of F-12 media without any serum or antibiotics for 2 hours at 37° C.Test compounds were 3-fold, 11-point serially diluted in DMSO in a REMP assay plate (Matrix Cat. #4307) by Tecan and 5 &#956;L was transferred into an ECHO source plate (Labcyte Cat. #LC-0200). Cells were then stimulated with 50 nL of compound dilutions using ECHO liquid handler for 7 minutes at 37° C. Compounds ranged from final assay concentrations of 33.33 &#956;M to 0.56 nM.The media was then dumped and cells lysed with 20 &#956;L of 1× Lysis buffer from the AlphaScreen SureFire Phospho-ERK 1/2 Kit (Perkin Elmer Cat. #6760617M). The lysis buffer was diluted 5-fold with water before use. The plate was agitated on a shaker for 10 minutes after which 2 &#956;L was transferred into a 384-well white proxiplate (Perkin Elmer Cat. #6008289). The SureFire assay reagent mix was prepared by mixing 60 parts Reaction Buffer, 10 parts Activation Buffer, 1 part Donor Beads, 1 part Acceptor Beads (Perkin Elmer Cat. #TGRES10K). 3.5 &#956;L/well of this reagent mix was manually added to the proxiplate with a multichannel pipettor. Plates were spun down at 1000 rpm for 2 minutes, followed by light-protected incubation at room temperature for 2 hours. The plates were read on the Alpha-technology compatible Envision multilabel plate reader using AlphaScreen protocol according to manufacturer&#39;s specifications. The agonist effect of compounds was expressed as 100× (average sample&#8722;average blank)/(average total&#8722;average blank) where sample is the luminescence activity in the presence of test compound, blank is equal to the luminescence activity in the presence of DMSO control and the total is signal induced by 50 &#956;M linolenic acid as reference compound. Activation data for the test compound over a range of concentrations was plotted as percentage activation of the test compound (100%=maximum response). After correcting for background, EC50 values were determined. The EC50 is defined as the concentration of test compound which produces 50% of the maximal response and was quantified using the 4 parameter logistic equation to fit the data.
608	1	Stimulation of sGC Enzyme Activity 	To carry out the assay, 29 &#956;l of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to H nicka et al, J. Mol. Med. 77, 14-23 (1999)) in 50 mM TEA, 2 mM MgC2, 0.1% BSA (fraction V), 0.005% Brij , pH 7.5] are initially introduced into a microplate, and 1 &#956;l of the substance to be tested (as a serially diluted solution in DMSO) is added. The mixture is incubated at room temperature for 10 min. Then 20 &#956;l of detection mix [1.2 nM Firefly Luciferase (Photinus pyralis luciferase, Promega), 29 &#956;M dehydroluciferin (prepared according to Bitler & McElroy, Arch. Biochem. Biophys. 72, 358 (1957)), 122 &#956;M luciferin (Promega), 153 &#956;M ATP (Sigma) and 0.4 mM DTT (Sigma) in 50 mM TEA, 2 mM MgCl2, 0.1% BSA (fraction V), 0.005% Brij , pH 7.5] are added. The enzyme reaction is started by adding 20 &#956;l of substrate solution [1.25 mM guanosine 5&#8242;-triphosphate (Sigma) in 50 mM TEA, 2 mM MgC2, 0.1% BSA (fraction V), 0.005% Brij , pH 7.5] and measured continuously in a luminometer. The extent of the stimulation by the substance to be tested can be determined relative to the signal of the unstimulated reaction.The activation of haem-free guanylate cyclase is examined by addition of 25 &#956;M of 1H-1,2,4-oxadiazolo[4,3-a]quinoxalin-1-one (ODQ) to the enzyme solution and subsequent incubation for 30 minutes and compared to the stimulation of the native enzyme.
610	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
613	1	PDK1 kinase assay	PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusion proteins in insect cells and purified to homogeneity. Enzyme activity was determined in a coupled PDK1/AKT/FAM-crosstide assay and phosphorylation of FAM-crosstide was determined by standard IMAP protocol (Molecular Devices). For inhibition studies, compounds were titrated 4-fold in DMSO and diluted 40-fold into assay buffer (10 mM Tris HCl pH7.2; 10 mM MgCl2; 0.01% Triton X-100; 1 mM DTT) containing PDK1, AKT2, and FAM-crosstide (final concentrations: 0.75 nM PDK1, 10 nM unphosphorylated AKT2, and 100 nM crosstide substrate). The kinase reaction was initiated by adding ATP to a final concentration of 40 &#956;M of PDK1 and incubated at 25° C. for 30 min. To detect assay product, the kinase reaction was combined with Progressive Binding Solution (1:600 Progressive Binding Reagent, 50% Buffer A, 50% Buffer B, Molecular Devices) in a 1:3 ratio. The mixture was incubated for 2 hours at 25° C. and the plate was scanned on an Analyst AD with excitation at 485 nm and emission at 530 nm. The fluorescence polarization value P is defined by the equation below. The value mP is generated by multiplying the P value for each reaction well by a factor of 1000. The value &#916;mP for each well is the mP value for that well minus the mP value for the average negative control. P=(Fpar&#8722;Fperp)/(Fpar+Fperp)&#8195;&#8195;Eq.:Where par is fluorescence intensity parallel to the excitation plane; and perp is fluorescence intensity perpendicular to the excitation plane. &#916;mP values were plotted as a function of compound concentration and the data were analyzed with a 4-parameter fit using GraphPad Prism software.
614	1	In Vitro Kinase Activities (LRRK2 TR-FRET Peptide Assay)	Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using various LRRK2 (including LRRK2 G2019S mutant) assays. For example, assays were performed in a total volume of 20 &#956;L using the same kinase reaction buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 2 mM DTT and 0.01% Tween-20) for wild-type or G2019S mutant LRRK2. Serially diluted compounds (1% DMSO as co-solvent) were pre-incubated with recombinant GST-LRRK2 (wild-type, or G2019S mutant, Invitrogen) for 15 minutes at room temperature in 384-well Corning black plates. Mixtures of ATP and biotin-LRRKtide substrate (biotin-RLGRDKYKTLRQIRQ) (SEQ ID NO: 1) were added to the wells at a final concentration of 100 &#956;M ATP and 100 nM substrate, with final kinase concentration of 10 nM. The kinase reactions were carried out at room temperature for 60 minutes, then the reaction was stopped with the addition of 10 &#956;L/well of stop/detection buffer (25 mM HEPES pH 7.5, 66 mM EDTA, 0.8 M KF and 0.1% BSA) that contains streptavidin-XL665 (12.5 nM) and europium-conjugated phospho-specific antibody (2nM). The plates were read 1 hour later and the time-resolved fluorescence (665 nm to 615 nm ratio) measured using an Envision reader. The inhibition of each well was calculated using the control and background readings for that plate. IC50 values were determined from dose-response curves using eight concentrations from the serial dilution of the test compounds.Many compounds of the Examples are demonstrated to be inhibitors of LRRK2, with most of the compounds tested typically measuring an IC50 below 1 &#956;M for both LRRK2 and G2019S mutant LRRK2 kinase activity.
616	2	Scintillation Proximity Assay (SPA)	The total assay volume was about 100 &#956;L in the following configuration: 2-&#956;L compound in DMSO, 88 &#956;L buffer with protein and probe and 10 &#956;L of SPA beads. The compound was diluted in a master plate consisting of a 10-point dose response with a 3-fold compound dilution from 100 &#956;M to 5 nM. Assays were run on a 96-well plate in which one column, designated as the high signal control, contained DMSO with no compound and another column, designated as the low signal control, contained no protein. Prior to plating out of a compound, a buffer solution, containing 25 mM TRIS pH 7.5 (Sigma), 150 mM NaCl (Sigma), 15% Glycerol (Sigma), 0.15% BSA (Sigma), 0.001% Tween-20 (Sigma), 150 nM Compound 120 and 100 nM HIF-2&#945; HIS TAG-PASB Domain, was prepared and allowed to equilibrate for 30 minutes. Compounds that were to be tested were then plated in to a 96-well white clear bottom Isoplate-96 SPA plate (Perkin Elmer). To each compound, 88 &#956;L of the buffer solution was then added. The plate was covered with a plastic cover and then aluminum foil, placed onto a shaker and equilibrated for 1 hour. After equilibration, 10 &#956;L of a 2 mg/mL solution of YSi Cu His tagged SPA beads (Perkin Elmer) were then added to each well of the plate, covered and equilibrated for another 2-hours. The plates were then removed from the shaker, placed into a 1450 LSC and luminescence counter MicroBeta Trilux (Perkin Elmer) to measure the extent of probe displacement.
616	1	ELISA Assay	About 7500 of 786-O cells in 180 &#956;L of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-200-566, Fisher Scientific) in the layout presented in FIG. 9.Four hours later, serial dilutions of 10× compound stocks were made in growth medium from 500×DMSO stocks, and 20 &#956;L of those 10× stocks were added to each well to make final concentrations as follows (&#956;M): 20, 6.7, 2.2, 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, 0. Each concentration had duplicated wells. About twenty hours later, the growth medium was removed by suction and each well was supplied with 180 &#956;L of growth medium. About 20 &#956;l freshly-made 10× compound stocks were added to each well. About twenty four hours later, cell culture medium was removed for the determination of VEGF concentration using an ELISA kit purchased from R&D systems by following the manufacturer&#39;s suggested method. The EC50 was calculated by GraphPad Prism using the dose-response-inhibition (four parameter) equation. The cell seeded plate was then subjected to CellTiter-Glo luminescence cell viability assay (Promega) by adding about 50 &#956;L of Celltiter Glo reagent into each well and shaking the plate for 8 minutes at 550 rpm (Thermomixer R, Eppendorf). The luminescence signals were read in a plate reader (3 second delay, 0.5 second/well integration time, Synergy 2 multi Detection Microplate reader) immediately.
13128	1	Radiometric Binding Assay	TBD
13128	2	TR-FRET Based Assay	TBD
618	1	HDAC Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 &#956;M final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 &#956;M (HDAC1), 10 &#956;M (HDAC2), 17 &#956;M (HDAC3) and 14 &#956;M (HDAC6).Five &#956;l of compounds and 20 &#956;l of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five &#956;l of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. 
620	1	Activity Assay	Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently, TASK-1-encoding RNA synthesized in vitro was injected into the oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 interface (Instrutech Corp., Long island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to &#8722;90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing 98 mM sodium chloride, 2 mM potassium chloride, 1.8 mM calcium chloride, 1 mM magnesium chloride, 5 mM 4-(2-hydroxyethyl)-piperazine-1-ethanesulfonic acid (HEPES: pH adjusted to 7.4 with sodium hydroxide). All experiments were performed at room temperature. Test compounds were consecutively added to the bath solution at rising concentrations. 
621	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
622	1	Biological Assay	Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule prode (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
624	1	Bromodomain Binding Assay	Bromodomain binding assays were carried out in Reaction Biology (PA, USA) to test the degrees of the inventive compounds in inhibiting the human BRD4 bromodomain 1 by Alpha-screen assay method.Recombinant human BRD4 bromodomain 1 expressed in E. coli with N-terminal His-tag was used as the enzyme target.A synthetic peptide (SGRGACKGGACKGLGACKGGAACKRH-GSGSK-biotin) containing 1 to 21th amino acids of histone H4 acetylated at lysine 5, 8, 12 and 16 and conjugated to biotin was purchased from Millipore.BRD4-1 (44 to 170th amino acids; Genbank Accession # NM_058243) was expressed in E. coli with N-terminal His-tag (see, Ni-NTA spin Kit Handbook (Qiagen), second edition, January, 2008). Nickel-Chelate ALPHA acceptor beads (Perkin Elmer) were used to specifically bind BRD4-1, and ALPHA streptavidin donor beads (Perkin Elmer) were used because they specifically recognized the biotinylated H4 peptide. Binding of BRD4-1 to the synthetic peptide resulted in proximity of the donor and acceptor beads, which leads to an increase in ALPHA signal whereas in a decrease in ALPHA signal.BRD binding assays were performed in a mixture comprising 50 mM Hepes (pH7.5), 100 mM NaCl, 0.05% CHAPS, 0.1% BSA, and 1% DMSO. After an assay reaction time of 60 min at 25° C., binding was measured with streptavidin donor beads and nickel-chelate acceptor beads. ALPHA signal was detected on Enspire (Ex/Em=680/520-620 nm). IC50 values were calculated from the fit of the dose-response curves. All IC50 values represent geometric mean values of a minimum of four determinations. These assays generally produced results within 3-fold of the reported mean.
626	1	Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator [5-[({[2-(2-{3-[3-(tert-Butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid]. The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode. Data are expressed as a HTRF ratio.
627	1	Scintillation Proximity Assay (SPA) for Detection of SMYD2 Enzymatic Inhibition	SMYD2 inhibitory activities of the compounds described in the present invention were quantified using a scintillation proximity assay (SPA) which measures methylation by the enzyme of the synthetic, biotinylated peptide Btn-Ahx GSRAHSSHLKSKKGQSTSRH (SEQ ID NO: 3) Amid x TFA (Biosyntan) derived from p53 and referred to from here on as p53 Peptide. The SMYD2 full length enzyme was produced in-house by expression (with an N-terminal 6×His tag) in E. coli and purification by affinity chromatography on a Ni-NTA Sepharose column followed by a size exclusion chromatography step on a Superdex 200 16/60 column (GE Healthcare).In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One), from which 50 nl of compound solutions were transferred into a white low volume test microtiter plate from the same supplier. Subsequently, 2.5 &#956;l SMYD2 in aqueous assay buffer [50 mM Tris/HCl pH 9.0 (AppliChem), 1 mM dithiothreitol (DTT, Sigma), 0.01% (w/v) bovine serum albumine (BSA, Sigma), 0.0022% (v/v) Pluronic (Sigma)] were added to the compounds in the test plate to a final enzyme concentration of typically 3 nM (this parameter was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay). The samples were then incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the methylation reaction, which was initiated by the addition of 2.5 &#956;l 2-fold concentrated solution (in assay buffer) of titrated S-Adenosyl-L-Methionine (3H-SAM, Perkin Elmer, final concentration: 60 nM) and p53 Peptide substrate (final concentration: 1.0 &#956;M). The resulting mixture (5 &#956;l final volume) was shortly centrifuged (2 min., 1500 rpm) and incubated at 22° C. during 30 min. Thereupon the reaction was stopped by adding 3 &#956;l of Streptavidin PS SPA imaging beads (Perkin Elmer, final concentration of 3.12 &#956;g/&#956;l) and cold SAM (AK Scientific, 25 &#956;M final concentration) for non-specific binding reduction. Plates containing the stopped reaction were sealed with transparent adhesive foil (Perkin Elmer), centrifuged (2 min., 1500 rpm), and further incubated for at least 1 h at RT (or overnight at 4° C.) in order to allow the SPA signals to develop. Subsequently, the amount of product was evaluated by measuring the energy transfer from the &#946;-particles emitted by the 3H-labeled substrate to the Europium scintillator co-polymerized in the polystyrene matrix of the PS imaging beads, using the standard settings for this purpose of a Viewlux (Perkin-Elmer) CCD plate imaging device (emission filter 613/55 (IFP). The resulting scintillation counts were taken as indicator for the amount of methylated peptide per well. The data were normalised using two sets of control wells (typically 16 each) for high- (=enzyme reaction with DMSO instead of test compound=0%=Minimum inhibition) and low- (=all assay components without enzyme=100%=Maximum inhibition) SMYD2 activity. IC50 values were calculated by fitting the normalized inhibition data to a 4-parameter logistic equation using the Screener analysis software from Genedata.
628	1	In Vitro Enzyme Inhibition LSD-1 Assay	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number 060341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
629	1	In Vitro Enzyme Inhibition of hPK	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock.Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4× hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 604, of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK. 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads (15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
629	2	In Vitro Contact Cellular Assay	The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test compound added to each test well was 12.5 &#956;L, to yield final concentrations of 20 &#956;M, 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, and 0.076 nM. Each test compound concentration was tested in duplicates.In addition to the inhibitor control and test wells, the 96 well assay plate includes positive control wells which contained the mixture of human plasma and ellagic acid without C1NH inhibitor or test compounds, and background wells which contained neither the mixture of human plasma and ellagic acid nor the test compounds. The total volume of liquid in positive control and background wells was brought up to 35 &#956;L, using the assay buffer.The assay plate containing C1NH inhibitors and test compounds mixed with human plasma and ellagic acid and appropriate controls was incubated at 37° C. for 5 min. A 10 mM stock solution of substrate Z-FR-2-AMC was diluted to 133.2 &#956;M in the assay buffer, and 15 &#956;L of the diluted substrate was added to each well, to yield a final substrate concentration of 40 &#956;M in each well. The reagents were mixed well by shaking the plate gently for 30 sec.The enzyme reaction was quantified by immediate kinetic reading of the assay plate using excitation/emission wavelengths of 330 nm/440 nm respectively. Fluorescence intensity was recorded for 60 min, using a time interval of 43 sec.The inhibition activity of the test compounds were evaluated using the EC50 values, calculated according to the dose-response curve of the test compounds, fitted using the log(inhibitor)&#8722;response (variable slope) equation in GraphPadPrism software (GraphPad Software, Inc.).
630	1	Radioligand Binding Assay on Mouse TAAR1	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 60 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
630	2	Radioligand Binding Assay on Rat TAAR1	HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of [H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
632	1	recombinant human MetAP2 assay	The plate was sealed with a TopSeal A cover and mixed briefly on an orbital mixer at 900 rpm. The plate was incubated for a further 25 minutes at 25 ° C. A 5 stock of Amplex buffer was prepared =(0.25M sodium phosphate, pH 7.4) and stored at 4 ° C. When preparing for use the stock was diluted with distilled water. Amplex Ultraread stock solution was prepared at 2.57 mg/ml in 100% DMSO and stored in 50 l aliquots at 20 ° C. 20 l of 505 U/ml. Horse radish peroxidase was diluted in 990 ml of Amplex buffer, 100 l of this was combined with 50 l of Amplex Ultrared in 4850 ml of 1 Amplex buffer to generate sufficient detection reagent for a 384 well plate. 25 l detection reagent was added to each well of the test plate, which was re-sealed and mixed briefly on an orbital shaker. The plate was transferred to an Envision Multi-label reader and RFU measured corresponding to excitation 531 nm and emission 595 nm. At the end of the MetAP2 incubation 25 l Amplex/HRP mixture per well was added and the plate read plate on a plate reader.
633	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
634	1	Assays for Inhibition of GRKs	GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 &#956;M ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and either 500 nM bROS or 500 nM soluble substrate tubulin in 5 min reactions. The low salt concentration and DDM were used to maximize GRK activity and disrupt small molecule aggregates from forming, respectively. Reactions were quenched with SDS loading buffer, separated via SDS-PAGE, dried and exposed with a phosphorimaging screen prior to quantification via Typhoon imager, as previously reported (see Thal et al., ACS Chemical Biology 7(11):1830-1839 (2012)). Data was analyzed and inhibition curves were fit via GraphPad Prism.
634	4	Assays for Inhibition of ROCK	Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 &#956;g ROCK1 and 1 &#956;g S6K substrate, and 100 &#956;M ATP for 60 min prior to addition of ADP-GLO Reagent, and allowed to incubate for an additional 40 min prior to the addition of the Kinase Detection Reagent and imaging on a PHERASTAR system.
635	1	RET Enzyme Assay	Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Cat. No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Cat. No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Cat. No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
636	1	Phosphodiesterase (PDE) 2A and 10 Assay	All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds were serial diluted in DMSO. With an intermediate dilution step with reaction buffer DMSO concentration was reduced to achieve 1% DMSO in the assay reaction. Setup of the assay started with 10 &#956;l enzyme ( 10 ng/well, depending on prep. batch), 5 &#956;l compound, reaction was started by addition of 5 &#956;l labeled cAMP (30 nM, final concentration), immediately mixed for 15 seconds on a Eppendorf mixmate (2000 rpm) followed by an incubation at room temperature for 90 minutes in the dark. Reaction is stopped by adding of 60 &#956;l binding buffer for FP/cAMP (kit component). After at least 90 min of further incubation (room temperature, dark) the assay was measured at 485 nm excitation/525 nm emission in an Envision multilabel reader (PerkinElmer).Each assay plate contained wells with vehicle controls (1% DMSO) for the measurement of non-inhibited reaction (=100% control) and wells without enzyme as 0% controls.The analysis of the data was performed by calculation of the percentage of inhibition in the presence of test compound compared to the vehicle control samples (100% control, no inhibition) and a low control (0% control, no enzyme).
637	1	ADP-Glo Format PI3K Assays	The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 &#956;l prepared from 1 &#956;l additions of enzyme/PIP2:PS lipid (Invitrogen #PV5100) mixture and 1 &#956;l ATP (provided in kit, Promega #V9101) and test compounds in assay buffer (50 mM HEPES pH 7.5, 3 mM MgCl2, 100 mM NaCl, 0.5 mM EGTA, 2 mM DTT, 0.03% CHAPS). The reaction was initiated by the combination of enzyme/lipid, ATP, and test compounds. The reaction mixture was incubated at room temperature for 30 minutes (PI3K Alpha, Beta, Gamma) or 3 hours for PI3K Delta. ADP-Glo (2 &#956;l), followed by Kinase Detection reagent (4 &#956;l), were added to reactions following the initial incubation and allowed to incubate 40 minutes at room temperature. The reaction mixture was analyzed on the TOPCOUNT (Perkin Elmer). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of enzyme in the assays are PI3K Alpha [0.5 nM], PI3K Beta [2 nM], PI3K Gamma [20 nM], PI3K Delta [0.5 nM]. ATP final concentrations are as follows: for Alpha [10 &#956;M], for Beta [12.5 &#956;M], for Gamma [6.5 &#956;M], for Delta [100 &#956;M]. Lipid final concentration was the same for all enzymes, [25 &#956;M]. Dose response curves were generated to determine the concentration required to inhibit 50% of activity. Compounds were dissolved at 0.12 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
638	1	Inhibition of IRAP Activity	Rat epididymal fat pads were homogenized and subjected to ultracentrifugation at 100,000×g for 30 minutes to obtain microsomes containing IRAP. The microsomes (with a total protein content of 55 &#956;g/well) were mixed with a solvent (dimethyl sulfoxide; hereinafter, abbreviated as DMSO (final concentration: 0.1%)) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution to a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous trifluoroacetic acid (hereinafter, abbreviated as TFA) solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by the Sigmoid-Emax model nonlinear regression analysis to evaluate inhibition of IRAP activity.
638	2	Inhibition of Human P-LAP (hP-LAP) Activity	HEK293 cells forced to transiently express hP-LAP (J Biol Chem 1996; 271: 56-61) were prepared by lipofection, homogenized, and then subjected to ultracentrifugation at 100,000×g for 30 minutes. Microsomes containing hP-LAP were thereby prepared. The microsomes (with a total protein content of 0.5 to 1.5 &#956;g/well) were mixed with a solvent (DMSO; final concentration: 0.1%) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution into a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous TFA solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by the Sigmoid-Emax model nonlinear regression analysis to evaluate inhibition of hP-LAP activity.
644	1	In Vitro Enzyme Inhibition Assay	Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expressed and purified to homogeneity. Filipakopoulos et al., Nature 468:1067 (2010). BRD4 binding and inhibition was assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Life Technologies). In a 384-well ProxiPlate BRD4(BD1) (2 nM final) was combined with peptide (15 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 min incubation at room temp, Alpha streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After 2 hr of equilibration, plates were read on an Envision instrument and the IC50 was calculated using a four parameter non-linear curve fit. Chemistry Example 1 (2-methyl-4-phenylisoquinolin-1-one) had an IC50 of 2.782 &#956;M in this assay format.
645	1	EP4 Antagonistic Activity Measurement	EP4 Antagonistic Activity Measurement Experiment Using Prostanoid Receptor Subtype Expressing CellsCHO cells expressing rat EP4 receptor subtypes were prepared according to the methods of Nishigaki et al. (FEBS Letters, Vol. 364, p. 339-341, 1995), and used for experiment. Cultured subconfluent cells were detached, and suspended in an assay medium (MEM containing 1 mmol/L IBMX, 1% HSA) in a concentration of 1×106 cells/mL. For reaction, PGE2 was added to the cell suspension (25 &#956;L) in a final concentration of 10 nmol/L, either alone or as a 25-&#956;L PGE2 solution containing the test compound. After 30 minutes of reaction at room temperature, the amount of cAMP in the cells was quantified according to the method in the descriptions of the cAMP assay kit (CISBIO).The antagonistic effect (IC50 value) of the test compound was calculated as a value that represents an inhibition rate against a reaction with PGE2 alone at 10 nM, a concentration that produces a submaximal cAMP producing effect.
646	1	Measurement of FXIa Inhibition	The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates. Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
646	2	Determination of the Plasma Kallikrein Activity	To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of a peptidic plasma kallikrein substrate to determine the enzymatic activity of human plasma kallikrein. Here, plasma kallikrein cleaves from the peptic plasma kallikrein substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates. Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
650	1	The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays	The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PDE4A1, PDE4B3, PDE4C1, and PDE4D3 enzyme activity by compounds in vitro. The PDE4A1, PDE4B3, PDE4C1, and PDE4D3 assays are run in parallel using identical parameters, except for the concentration of enzyme (80 pM PDE4A3, 40 pM PDE4B3, 40 pM PDE4C1 and 10 pM PDE4D). The assays are performed in a 384-well format with 50 uL assay buffer (50 mM TRIS pH7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE4A3, PDE4B1, PDE4C1, and PDE4D to convert 20% of substrate (1 &#956;M cAMP consisting of 20 nM 3H-cAMP+980 uM cold cAMP) and a range of inhibitors. Reactions are incubated for 30 min at 25° C. The addition of 20 uL of 8 mg/ml yitrium silicate SPA beads (Perkin Elmer) stops the reaction. The plates are sealed (TopSeal, Perkin Elmer) and the beads are allowed to settle for 8 hrs, after which they are read on the Trilux Microbeta overnight.
651	1	Human D1 Receptor Binding Assay	D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000×g for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). Membrane bound [3H]-SCH23390 levels were determined by liquid scintillation counting of the filterplates in Ecolume. The IC50 value (concentration at which 50% inhibition of specific binding occurs) was calculated by linear regression of the concentration-response data in Microsoft Excel. Ki values were calculated according to the Cheng-Prusoff equation.
653	1	Inhibition of Human SHMT	For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluated by coupling with excess MTHFD2, which converts NAD+ to NADH allowing for reaction monitoring by absorption at 340 nm. The reaction was started by addition of serine (1 mM final) to either human SHMT1 or human SHMT2 (2 mcg/mL), and human MTHFD2 (25 mcg/mL) in a buffer of 50 mM potassium phosphate (pH 7.4), 0.3 mM tetrahydrofolate, 7.5 mM dithiothreitol, 1.25 mM NAD+, and 4% DMSO. Inhibition of initial reaction velocity was determined by adding various inhibitors at different concentrations and monitored as described. IC50 may be calculated based on this assay. For the MTHFD2 in vitro assay, the rate of NADH formation is directly monitored at 340 nm. The reaction is started by addition of 0.125 uM (final) of 5,10 methylene tetrahydrofolate to MTHFD2 (2.5 mcg/mL), 50 mM potassium phosphate (pH 7.4), 7.5 mM dithiothreitol, 1.25 mM NAD+, and 4% DMSO.
654	1	Biochemical JAK Kinase Assay	In some embodiments, the additional pharmaceutical agent is a JAK1 and/or JAK2 inhibitor. In some embodiments, the present application provides a method of treating a disease described herein (e.g., a B cell malignancy, such as diffuse B-cell lymphoma) in a patient comprising administering to the patient a compound described herein, or a pharmaceutically acceptable salt thereof, and a JAK1 and/or JAK2 inhibitor. The B cell malignancies can include those described herein and in U.S. Ser. No. 61/976,815, filed Apr. 8, 2014. In some embodiments, the inhibitor of JAK1 and/or JAK2 is 3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile. In some embodiments, the inhibitor of JAK1 and/or JAK2 is (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile (ruxolitinib; also known as INCB018424). Ruxolitinib has an IC50 of less than 10 nM at 1 mM ATP (assay J) at JAK1 and JAK2. 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile and ruxolitinib can be made by the procedure described in U.S. Pat. No. 7,598,257 (Example 67), filed Dec. 12, 2006, which is incorporated herein by reference in its entirety. In some embodiments, the inhibitor of JAK1 and/or JAK2 is (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphoric acid salt.
654	2	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.). The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. 
655	1	Protease-Free PPIase Assay	The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of a cyclophilin A inhibitor (e.g., a test compound) slows the catalyzed rate and a Ki value is obtained. A Ki value of less than 10 nM demonstrates that the test compound is a potent inhibitor of cyclophilin A.MaterialsAssay Buffer:35 mM HEPES pH 7.8, filtered through a 0.2 &#956;m filter. 50 &#956;M DTT was added prior to use each day and then the buffer was stored on ice.Enzyme:Human recombinant cyclophilin A (Cyp A) (Sigma C3805) enzyme was diluted to 1 &#956;M with enzyme dilution buffer (20 mM HEPES pH 7.8, 40% glycerol, 50 &#956;M DTT and 1 &#956;M BSA) and stored at &#8722;20° C.Substrate:Succinimide-Ala-Ala-Pro-Phe-p-nitroanilide (SUC-AAPF-pNA) (from Bachem AG, L-1400), 20 mg/ml prepared in 0.5 M LiCl in trifluoroethanol.MethodAll readings were taken with an Agilent 8453 Spectrophotometer which includes of a cuvette holder, stirrer and chiller to maintain a stirred cuvette temperature of 10.0±0.1° C. The temperature is monitored by the use of a temperature probe. To prevent UV degradation of test compounds, the light below 290 nm was blocked using a glass slide in the light path. 1.5 ml of the assay buffer was put into a 3 ml quartz cuvette and cooled to 10.0±0.1° C. while stirring (vigorous but not so fast as to produce cavitation). The inhibitor was diluted in 100% DMSO, and then added to the assay to a maximum final concentration of 0.5% DMSO in the assay. A blank spectrum was obtained, then 3 &#956;L of enzyme was added (2 nM final concentration) and then 3 &#956;L substrate (60 &#956;M final concentration) added. The absorbance was measured at 330 nm for 300 s or 500 s for blank runs (NOTE: the substrate must be added in one quick injection and the measurements started immediately to minimize mixing errors).A first order rate equation was fitted to the absorbance data, for each concentration of inhibitor, to obtain the rate constant (the first 10 to 15 seconds were excluded as mixing causes errors in this portion of curve). The catalytic rate was calculated from the enzymatic rate constant minus the background rate constant. An exponential curve was generated using the catalytic rate constants versus the inhibitor concentration to obtain the Ki value for the inhibitor. The Ki value is indicative of the binding affinity between the test compound and cyclophilin A.
655	2	Calcineurin Phosphatase (CaN) Assay	Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2
657	1	ThermoFluor Assay	For the ROR&#947;t construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO:1). Nucleotides 850-1635 (SEQ ID NO:2) coding for the wild type human ROR&#947;t ligand binding domain (ROR&#947;t LBD) were cloned into the pHIS1 vector, a modified pET E. coli expression vector (Accelagen, San Diego), containing an in-frame N-terminal His-tag and a TurboTEV protease cleavage site (ENLYFQG, SEQ ID NO:3) upstream of the cloned insert sequence. The amino acid sequence for the ROR&#947;t construct used in the Thermofluor assay is shown as SEQ ID NO:4. ThermoFluor experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation. Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1° C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500±25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature. 
657	2	Human Th17 Assay	The human Th17 assay tests the effect of ROR&#947;t modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differentiation. Total CD4+ T cells were isolated from the peripheral blood mononuclear cells (PBMC) of healthy donors using a CD4+ T cell isolation kit II, following the manufacturer&#39;s instructions (Miltenyi Biotec). Cells were resuspended in a medium of RPMI-1640 supplemented with 10% fetal bovine serum, penicillin, streptomycin, glutamate, and &#946;-mercaptoethanol and were added to 96-well plates at 1.5×105 per 100 &#956;L per well. 50 &#956;L of compound at titrated concentrations in DMSO were added into each well at final DMSO concentration at 0.2%. Cells were incubated for 1 hour, then 50 &#956;L of Th17 cell differentiation medium was added to each well. The final concentrations of antibodies and cytokines (R&D Systems) in differentiation medium were: 3×106/mL anti-CD3/CD28 beads (prepared using human T cell activation/expansion kit, Miltenyi Biotec), 10 &#956;g/mL anti-IL4, 10 &#956;g/mL anti-IFN&#947;, 10 ng/mL IL13, 10 ng/mL IL23, 50 ng/mL IL6, 3 ng/mL TGF&#946; and 20 U/mL IL2. Cells were cultured at 37° C. and 5% CO2 for 3 days. Supernatants were collected and the accumulated IL-17 in culture was measured by using MULTI-SPOT Cytokine Plate following manufacture&#39;s instruction (Meso Scale Discovery). The plate was read using Sector Imager 6000, and IL-17 concentration was extrapolated from the standard curve.
657	3	RORgammat (full-length human) Reporter Assay A	Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-ROR&#947;t fusion protein under control of a CMV promoter (NH2-Gal4-DBD:RORC COOH in pCMV-BD, Stratagene #211342), and two reporter plasmids the firefly luciferase reporter under control of a GAL4 promoter (pFR-Luc 2× GAL4) and Renilla luciferase reporter under control of CMV promoter (pRL-CMV, Promega #E2261). The full-length coding sequence was used for human ROR&#947;t, i.e., nucleotides 142-1635 of human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO: 1). HEK293T cells were plated at 35000 per well in 96-well plate in medium of MEM with 8.6% FBS. After 18-22 hours incubation, the transfection was carried out by using a PEI solution with 170.5 ng total DNA/well (50 ng pCMV-BD-ROR plus 20 ng of pFR-Luc reporter and 0.5 ng of pRL-CMV reporter plus 100 ng Carrier DNA (Clontech #630440) for each well). 4-6 hours after transfection, cells were treated with compounds for overnight in the medium with final concentration of FBS 1.1% and DMSO 0.1%. After overnight (16 to 20 hours) incubation, media were removed and cells were lysed with 20 &#956;L 1× Passive Lysis Buffer (Promega) for 10-15 minutes. Luminescence was measured using a BMG LUMIstar OPTIMA plate reader, after addition of 75 &#956;L/well firefly luciferase buffer, followed by 75 &#956;L/well Renilla luciferase buffer. To calculate the effect of compounds on ROR&#947;t activity, firefly values were normalized against values of DMSO only and values of reference compound at saturating concentration, then further normalized against Renilla signals. IC50s were generated by plotting final Renilla normalized data against compound concentration and percent inhibition was calculated against DMSO control.
657	4	RORgammat (full-length human) Reporter Assay B or C	Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-ROR&#947;t fusion protein under control of a CMV promoter (NH2-Gal4-DBD:RORC COOH in pCMV-BD, Stratagene #211342), and two reporter plasmids the firefly luciferase reporter under control of a GAL4 promoter (pFR-Luc 2× GAL4) and Renilla luciferase reporter under control of CMV promoter (pRL-CMV, Promega #E2261). The full-length coding sequence was used for human ROR&#947;t, i.e., nucleotides 142-1635 of human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO: 1). HEK293T cells were plated at 35,000 per well in 96-well plate in medium of DMEM with 10% FBS. After 18-22 hours incubation, the transfection was carried out by using a PEI solution with 170.5 ng total DNA/well (50 ng pCMV-BD-ROR plus 20 ng of pFR-Luc reporter and 0.5 ng of pRL-CMV reporter plus 100 ng Carrier DNA (Clontech #630440) for each well). 4-6 hours after transfection, cells were treated with compounds for overnight in the medium with final concentration of FBS 1.3% and DMSO 0.1%. After overnight (16 to 20 hours) incubation, media were removed and cells were lysed with 50 &#956;L Glo Lysis Buffer (Promega) for 10-15 minutes followed by 10 minute incubation with 50 &#956;L Dual Glo reagent (Promega) at room temperature. Firefly luciferase luminescence was measured using a BMG Pherastar plate reader. To each well, 50 &#956;L Stop and Glo reagent was added and incubated for 10 minutes at room temperature. Renilla luminescence was measured using a BMG Pherastar plate reader. To calculate the effect of compounds on ROR&#947;t activity, firefly values were normalized against values of DMSO only and values of reference compound at saturating concentration, then further normalized against Renilla signals. IC50s were generated by plotting final Renilla normalized data against compound concentration and percent inhibition was calculated against DMSO control.
658	1	P70S6K Enzyme Assay	P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700 respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms.
659	1	Assay for Determination of Ki Values for Inhibition of GCase Activity	Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium taurodexoycholate, pH 7.0. GCase enzyme (Cerezyme , recombinant human GCase obtained from R&D Systems) was diluted in the same buffer to 0.143 nM. The reaction solution consisted of 25 &#956;L of 6 mM 4-methylumbelliferone-&#946;-D glucopyranoside in 10% DMSO in the same buffer, 12.5 &#956;L of enzyme and 12.5 &#956;L of various concentrations of test compound diluted in buffer. The final concentrations in the reaction were 0.036 nM GCase, 3 mM 4-methylumbelliferone-&#946;-D glucopyranoside, and various concentrations of inhibitor. The reaction was initiated by addition of enzyme and allowed to proceed for 20 min at 37° C. to assess GCase activity. Reactions were stopped by the addition of an equal volume (50 &#956;L) of 0.5 M NaOH, 0.3 M glycine, pH 10.5. Fluorescence was measured on a Biotek Synergy H4 plate reader using a setting of 10 measurements per data point at wavelengths of 365 nm for excitation and 450 nm for emission. Incubations without added enzyme or added inhibitors were used to define no enzyme activity and maximal enzyme activity, respectively. IC50 values were determined by fitting the data to a log[inhibitor concentration] versus response curve using GraphPad Prism. IC50 values were calculated as the concentration of inhibitor required to inhibit GCase activity by 50%. Ki values were determined from the IC50 values by employing the Cheng-Prusoff equation using a GCase Km of 7.9 mM for 4-methylumbelliferone-&#946;-D glucopyranoside at pH 7.0. The compounds of the invention tested exhibit Ki values for inhibition of GCase in the range 0.1 nM-50 &#956;M.
660	1	Radioligand Competition Binding Assay	The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K1 cells expressing recombinant human kappa (KOR) or mu (MOR) opioid receptors.Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration of radioligand and increasing concentrations of test compound for evaluation of binding to KOR or single concentration (10 &#956;M) of test compound for evaluation of binding to MOR in 101 &#956;L final volume. The radioligands used were specific for each receptor type, and the assay conditions are described in Table 1. Following incubations, the membranes were rapidly filtered through GF/B filter plate (presoaked with 0.5% polyethyleneimine), washed five times with cold 50 mM Tris-HCl, pH 7.5, and the bound radioactivity was then measured by liquid scintillation counting. Non-specific binding was measured in the presence of excess ligand; this value was subtracted from the total binding to yield the specific binding at each test concentration.
660	3	cAMP Accumulation Assay	Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expressing KOR were harvested using Invitrogen Cell Dissociation Buffer, and then centrifuged at 1200 rpm for five minutes. The supernatant was aspirated and cells were resuspended in assay buffer to a density of 4×105 cells/mL. 25 &#956;L of cells were added into a white half-area 96 well plate. Fourteen point serial dilutions of test compounds were carried out in assay buffer (PBS with 0.5 mM IBMX). Ketazocine was used as a positive control for each assay. 12.5 &#956;L of compound was added to the cells in duplicate for each test concentration. The cells were then stimulated with 12.5 &#956;L forskolin at a final concentration 20 &#956;M. Cells were incubated for 45 minutes in a 37° C., 5% CO2 water jacketed incubator. CisBio HTRF cAMP assay reagent was used for cAMP quantitation. Two hours after substrate addition, signal at 665/615 nm was measured using the Perkin Elmer Victor X4 HTRF reader. Data analysis was done using GraphPad Prism, sigmoidal dose-response (variable slope) curve fitting.
662	1	Omnia Assay Protocol for Potency Assessment Against EGFR (WT) and EGFR (T790M/L858R) Active Enzymes	The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invitrogen.com/content.cfmpageid=11338 or www.invitrogen.com/site/us/en/home/Products-and-Services/Applications/Drug-Discovery/Target-and-Lead-Identification-and-Validation/KinaseBiology/KB-Misc/Biochemical-Assays/Omnia-Kinase-Assays.html.Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).[EGFR-WT]=5 nM, [ATP]=15 uM, [Y12-Sox]=5 uM (ATP KMapp 12 uM); and [EGFR-T790M/L858R]=2.5 nM, [ATP]=20 uM, [Y12-Sox]=5 uM (ATP KMapp 20 uM).
663	1	Factor XIa Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 10004.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.1 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. Initial velocities of product formation in the absence (Vo) or presence of inhibitor (Vi) were measured. Assuming competitive inhibition, and that unity is negligible compared Km/[S], [I]/e, and [I]/e (where [S], [I], and e respectively represent the total concentrations, of substrate, inhibitor and enzyme), the equilibrium constant (Ki) for dissociation of the inhibitor from the enzyme can be obtained from the dependence of Vo/Vi on [I] shown in the following equation.V o /V i=1+[I]/Ki.
665	1	In Vitro Assay for FXIa	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
666	1	mPGES1 enzyme assay	mPGES1 was diluted with assay buffer and added into plate at 49 &#956;L/well supplemented with 1 &#956;L of compound (the final concentration of each compound at seven gradient concentrations was 10000 nM, 1000 nM, 100 nM, 10 nM, 1 nM, 0.1 nM and 0.01 nM). Each well was added with 3.8 &#956;L of 20 &#956;g/mL PGH precooled on ice after shaking for 30 seconds and incubated for 7 minutes on ice. Then, each well was added with 53.8 &#956;L of 6 mg/mL SnCl2 to quench the reaction. The sample was diluted with dilute buffer at 1:400. 10 &#956;l of diluted sample, 5 &#956;L PGE2-d2 and 5 &#956;L anti-PGE2 Cryptate were added to a black 384-well plate, and incubated at 4° C. overnight. HTRF was determined using Flexstation, and the IC50 of the compounds was obtained by data processing software.
668	1	Radioisotope assay	The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assay was terminated by spotting 10 &#956;L of the reaction mixture onto Multiscreen phosphocellulose P81 plate. The Multiscreen phosphocellulose P81 plate was washed 3 times for approximately 15 minutes each in a 1% phosphoric acid solution. The radioactivity on the P81 plate was counted in the presence of scintillation fluid in a Trilux scintillation counter.Blank controls were set up for each target kinase which included all the assay components except the addition of the appropriate substrate (which was replaced with equal volume of assay dilution buffer). The corrected activity for each target kinase was determined by removing the blank control value.
669	1	In Vitro JAK Kinase Inhibition Test	Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as described below, and then mixed with reagents. Kinase-activity inhibitory effects of some of the compounds of Examples 1 to 73 (for example, Examples 5, 55, and 66) for JAK1, JAK2, JAK3, and TYK2 were measured at various concentrations by the above-described method, and IC50 values were determined. The IC50 values of the test compounds were calculated from % inhibition values of the compounds, by the Cheng-Prusoff method (Biochem. Pharmacol. (1973) 22, 3099-3108).
670	1	Competition Displacement Assay	Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain. See Tam, J., Vemuri, V. K., Liu, J., Batkai, S., Mukhopadhyay, B., Godlewski, G., Osei-Hyiaman, D., Ohnuma, S., Ambudkar, S. V., Pickel, J., et al., J. Clin. Invest. 2010, 120, 2953-2966.
671	1	AlphaScreen SureFire Assay	The human and mouse GPR120-mediated intracellular phosphorylated ERK assays were established using CHOA12 cells stably transfected with the short form of human or mouse GPR120 receptor. Cells were cultured in growth medium consisting of F-12 media (Invitrogen Cat. #11765) with 5% Charcoal/Dextran FBS (Invitrogen Cat. #12676-029), 500 &#956;g/mL GENETICIN (Life Technologies Cat. #10131-027) and 250 &#956;g/mL Zeocin (Invitrogen Cat. #R250-01). Cells were cryo preserved at a concentration of 2×107 cells/mL, in 90% Charcoal/Dextran FBS and 10% DMSO, and frozen in liquid nitrogen at a low passage number.For the pERK assay, 2×107 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containing 50 mL growth medium. The flasks were placed in a tissue culture incubator overnight (37° C., 5% CO2). The next day, cells were harvested with trypsin (Gibco Cat. #25300-054), resuspended in serum-containing growth medium and counted using a Cellometer and volume adjusted to a concentration of 0.6×106 cells/mL. Cells were plated into 384-well clear bottom tissue culture plates (BD Cat. #353962) at 50 &#956;L/well, for a density of 30,000 cells/well using a MULTIDROP and incubated for 16-18 hours (overnight) at 37° C. with 5% CO2. The next day, cells were serum starved in 30 &#956;L of F-12 media without any serum or antibiotics for 2 hours at 37° C.Test compounds were 3-fold, 11-point serially diluted in DMSO in a REMP assay plate (Matrix Cat. #4307) by Tecan and 5 &#956;L was transferred into an ECHO source plate (LabCyte Cat. #LC-0200). Cells were then stimulated with 50 nL of compound dilutions using ECHO liquid handler for 7 minutes at 37° C. Compounds ranged from final assay concentrations of 33.33 &#956;M to 0.56 nM.The media was then dumped and cells lysed with 20 &#956;L of 1× Lysis buffer from the AlphaScreen SureFire Phospho-ERK 1/2 Kit (Perkin Elmer Cat. #6760617M). The lysis buffer was diluted 5-fold with water before use. The plate was agitated on a shaker for 10 minutes after which 2 &#956;L was transferred into a 384-well white proxiplate (Perkin Elmer Cat. #6008289). The SureFire assay reagent mix was prepared by mixing 60 parts Reaction Buffer, 10 parts Activation Buffer, 1 part Donor Beads, 1 part Acceptor Beads (Perkin Elmer Cat. #TGRES10K). 3.5 &#956;L/well of this reagent mix was manually added to the proxiplate with a multichannel pipettor. Plates were spun down at 1000 rpm for 2 minutes, followed by light-protected incubation at room temperature for 2 hours. The plates were read on the Alpha-technology compatible Envision multilabel plate reader using AlphaScreen protocol according to manufacturer&#39;s specifications. The agonist effect of compounds was expressed as 100×(average sample-average blank)/(average total&#8722;average blank) where sample is the luminescence activity in the presence of test compound, blank is equal to the luminescence activity in the presence of DMSO control and the total is signal induced by 50 &#956;M linolenic acid as reference compound. Activation data for the test compound over a range of concentrations was plotted as percentage activation of the test compound (100%=maximum response)
673	1	Luminescent Kinase Assay	Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 peptide substrate (KinaseGlo). For description of the methods and assays, see WO 2011/094628, incorporated by reference herein. Similar to TgCDPK1, exogenous calcium was necessary for CpCDPK1 to possess maximum catalytic activity (data not shown). Notably, both kinases were tested at the same ATP concentration which allows direct comparison of inhibitor potencies due to these enzymes possessing similar Kms for this cofactor.
13129	1	Determination of CRBN-Binding Affinity of Compounds	1. According to the instructions of the CEREBLON BINDING kits, the compounds to be tested of the present invention and lenalidomide were serially diluted using diluent #9 (1×) solution to obtain a final concentration of 2 M for both the tested compounds and lenalidomide solution.2. 2.5 μL of the above 2 M of the tested compounds and lenalidomide solution, as well as the same volume of diluent #9 (1×) solution were taken and added to each well of a 96-well plate, respectively. Then, 2.5 μL of (human Cereblon WT GST-tagged protein) solution was added to each well. Finally, 5 μL of the uniformly mixed thalidomide-Red reagent and GST Eu antibody working solution were added to each of the above wells. The final concentration of the tested compounds and lenalidomide in each well is 0.5 μM.3. The blank control wells were sequentially added with 2.5 μL of diluent #9 (1×) solution, 2.5 μL of ligand binding buffer, and 5 μL of uniformly mixed thalidomide-Red reagent and GST Eu antibody working solution.4. After sealing and incubating the solutions in the above wells at room temperature for 3 hours, the absorbance values at emission wavelengths of 620 nm and 665 nm were detected by the HTRF method using a Spark microplate reader (V3.1 SP1).
13130	1	Functional Peptidyl Prolyl Isomerase (PPlase) Spectrophotometric Assay	Cyclophilins are enzymes that catalyse the cis-trans isomerisation of peptide bonds to the amino acid proline. This event is important in many biological processes, including protein folding and signal transduction. Cyclosporins and the compounds of the present invention inhibit this catalytic activity. The method to measure this activity and its inhibition is similar to that described by Jankowski (Analytical Biochemistry, 252, 2, 299-307 (1997)). The assay measures the cis to trans isomerisation of a peptide substrate catalysed by a PPlase enzyme using a UV/Vis spectrophotometer. This assay is a manual single cuvette-based assay. A first order rate equation is fitted to the absorbance data to obtain a rate constant. The catalytic rate is calculated from the enzymatic rate minus the background rate. The Ki (the concentration required to produce half maximum inhibition) for an inhibitor is obtained from the rate constant plotted against the inhibitor concentration.
13131	1	IDUA Inhibitory Assay	The compounds of Example 1 were evaluated on their inhibitory potential against rh-α-IDUA, and their apparent IC50 values were determined by using the fluorogenic substrates 4-methylumbelliferyl-α-iduronide (4-MU-IdoA) and results are shown in Table 1. CIdoA analogues 27a-c with IC50 values in low-micromolar range proved more potent than CIdoADNJ analogues 28a-c, most of which were inactive at 250 μM except 28c. Satisfyingly, a significant reduction of IC50 from 6.7 μM (12) to 1.0 μM (27c) indicated that the conjugation of negatively-charged phosphate group with certain orientation improved the inhibitory potency and then furnished 27c as the most potent IDUA inhibitors in the present disclosure.
13132	1	HTRF-Based EGFR Biochemical Assays	EGFR biochemical activity measurements were carried out using the homogeneous time-resolved fluorescence (HTRF) assay (Cisbio). Inhibitors and DMSO normalizations were first dispensed to empty black low-volume 384-well plates (Corning) with D300 digital liquid dispenser (HP). All reactions were carried out at room temperature and solutions were added to plates with a Multidrop Combi Reagent Dispenser (ThermoFisher). The reaction mixture (10 μL final volume) contained 1 μM tyrosine kinase peptide-biotin substrate and mutant EGFR in a reaction buffer (50 mM HEPES pH 7,0, 5 mM MgCl2,1 mM MnCl2, 0.01% BSA, 2 mM TCEP, 0.1 mM NaVO4). Enzyme concentrations were adjusted to accommodate varying kinase activities (L858R 0.1 nM, L858R!T790M 0,02 nM). Enzyme reaction solution (2× concentrations, 5 μL) was added to 384-well plates containing compounds and incubated for 30 mins. Enzyme reactions were initiated with the addition of 5 pL of ATP to a final concentration of 100 μM and reacted for 20 mins. Reactions were quenched with the addition of 10 μL of phospho-tyrosine antibody-Europium(III) cryptate (1-to-180 volume ratio) and Streptavidin-XL665 (46.7 nM) in EDTA-containing detection buffer, then incubated at room temperature for 1 hour, and read with a PHERAstar plate reader (excitation =337 nm, emission =620 nm and 665 nm).
13133	1	Dose Response Enzymatic Inhibition Assay	VIM-2 was diluted to 6 μM with 50 mM HEPES, pH 7.5, containing 150 mM NaCl. The diluted protein solution was used to make several 5 mL aliquots. L-Captopril, EDTA, 31, 41, and 43 were each added to two aliquots. One aliquot contained one molar equivalent of inhibitor (6 μM), with respect to enzyme concentration, and the second aliquot contained two molar equivalents (12 μM). One aliquot contained no inhibitor. Each aliquot was then incubated for 4 h at 4° C. Following incubation, each aliquot was dialyzed versus 500 mL of 50 mM HEPES, pH 7.5, for 4 h at 4° C. The aliquots were analyzed using ICP-AES, as previously described REF. 
13133	2	Biochemical Assay	Nitrocefin (Cayman, CAS 41906-86-9) was used as the chromogenic substrate for all biochemical assays. The enzymatic activity of purified VIM-2 and NDM-1 were determined spectrophotometrically (spectramax-M5-reader) at room temperature in 50 mM potassium phosphate buffer at pH 7.0. The rate of product formation was monitored based on the λmax=486 nm absorbance taken at 10 s intervals for 30 mins. The Km and kcat values were determined from 10 different concentrations of nitrocefin ranging from 0.001 to 100 μM with at least four independent initial-velocity measurements. Velocity versus substrate concentration curves were fitted by nonlinear regression using Michaelis-Menten Enzyme kinetics with Graphpad Prism 6.
13134	1	PBB5 competition assay	PBB5 competition assay: 2 μM of α-synuclein was incubated with 0.26 μM 2-(4-(2-(methylamino)pyridine-5-yl)-1,3-butadiene-1-yl)benzothiazole-6-ol (PBB5) and serially diluted compound (three-fold serial dilution, from 10 to 0.001 μM) in a 96-well plate at 37° C. for 1 hour. Fluorescence intensity (excitation/emission=530/690 nm) of PBB5 was read by microplate spectrometer. Percentage of competition was calculated using the following equation:(Max−well of compound alone)/(Max−Min)*100%, where Max=(α-synuclein+PBB5) signals−(buffer+PBB5) signals; and Min=(buffer+PBB5) signals−(buffer+PBB5) signals.
13134	2	Alpha-Synuclein Competitive Binding Assay	(A) Expression and purification of recombinant wild-type human α-synuclein: 0.5 mM IPTG was used to induce production of wild type human α-synuclein by bacteria transformed with a full-length α-synuclein expression plasmid. After shaking at 16° C. for 20 hours, cell pellet was resuspended in lysis buffer (10 mM Tris, 1 mM EGTA, 0.75 mM NaCl, 1 mM PMSF, pH 7.5) and lysed by sonication followed by centrifugation (6000 g, 30 min, 4° C.). The supernatant was then boiled at 95° C. for 15 min with manual agitation by every 5 minutes, followed by centrifugation (6000 g, 30 min, 4° C.). Supernatant was dialyzed with (10 mM Tris, 1 mM EGTA, 50 mM NaCl, pH 7.5) buffer and concentrated with concentrator. The collected sample was loaded onto a Superdex200 column, the flow-through fraction was then loaded onto a Q-HP column. Collected fractions with α-synuclein eluates were pooled, concentrated and stored at −80° C.(B) Preparation of aggregated α-synuclein: 5 mg/mL of α-synuclein in PBS buffer (pH 7.4) was incubated in tube with at 37° C. with shaking (700 rpm) for 5-10 days.(C) In vitro fluorometric α-synuclein binding assays: 2 μM α-synuclein was incubated with serially diluted compound (three-fold serial dilutions, from 10 to 0.001 μM) in a 96-well plate at 37° C. for 1 hour. Fluorescence intensity was read by microplate spectrometer. Compound Kd values were calculated using the following equation: Y=Bmax*X/(Kd+X), where X is the concentration of compound; Y is the fluorescence signal of (compound+α-synuclein)−(compound+DMSO); and Bmax is the maximum signal.
13135	1	CYP450 Enzyme Induction Study	A final incubation system of 500 μL contained 50 μL of liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed specific substrates of CYP450 (CYP1A2, CYP2B6, CYP2C9, CYP2C19, CYP2D6, CYP3A4), 398 μL of PBS (pH 7.4), 1 μL of specific positive inhibitor (positive control) or test compound (in acetonitrile) and 50 μL of NADPH+MgCl2. Samples were prepared in duplicate of 0.5 mL for each CYP450 subtype. For each tube, the 450 μL mixed solution of substrates and enzyme and the NADPH solution were separately pre-incubated at 37° C. for 5 min. The 50 μL mixed solution of NADPH+MgCl2 was added for reaction. At 30 min, 50 μL of the mixture was taken and 300 μL of glacial acetonitrile containing an internal standard was added to terminate the reaction. Additionally, 2 blanks of 500 μL each were prepared in parallel without adding NADPH as the negative control group.
13136	1	TR-FRET Kinase Activity Biochemical Assay	Table 2: For the SAR (structure-activity relationship) and compound screening, LanthaScreen™ TR-FRET (Time-Resolved fluorescence energy transfer) assay was employed using the phospho-tyrosine specific Terbium (Tb)-labelded antibody with a fluorescein labeled poly-GT (glutamate-tyrosine) as a substrate. Upon excitation at 340 nm by UV, the energy from Tb donor of the antibody is transferred to the fluorescein of the phosphorylated poly GT substrate, and fluorescein emits light at 520 nm. The ratio between the intensity of primary emission at 495 nm and that of secondary emission at 520 nm was used to quantify the level of kinase activity. The recombinant proteins of human c-MER and AXL catalytic domains, Fluorescein-labeled poly-GT substrate, Tb-labeled anti-phosphorylated tyrosine antibodies, the kinase assay buffer, and 0.5M EDTA solution were purchased (Life technologies, USA). The TR-FRET assays were carried out in the white low volume 384-well plate (Corning, USA). To measure the compound mediated inhibition of kinase activity, the recombinant kinases were pre-incubated with test compounds for 20 minutes prior to the addition of 200 nM fluorescein labeled poly-GT substrates and 10 uM ATP, and then the reaction was carried out for 1 hour at room temperature. 10 mM EDTA was added to terminate the enzyme reaction, and the level of phosphorylation of poly-GT substrate was determined following 30 min incubation with 2 nM Tb-labeled antibody. The fluorescence intensity was measured with Envision™ plate reader (PerkinElmer, USA).
13136	2	HTRF Kinase Activity Biochemical Assay	Table 3: For the SAR (structure-activity relationship) and compound screening, HTRF (Homogeneous Time Resolved Fluorescence) kinase activity assay was employed for all MER, AXL and TYRO3 kinases using Cisbio HTRF® KinEASE™-TK kit (Cisbio, USA). The kit includes biotin-labeled TK substrate, streptavidin-XL665, Eu3+-cryptate-labeled TK antibody and HTRF® Detection buffer. There are two main steps in the kinase assay: kinase reaction and detection of phosphorylated substrate. The reaction was carried out in white low volume 384-well plate (Corning, USA) with 25 nL compound in dimethyl sulfoxide in each well. To measure the compound mediated inhibition of kinase activity, 2.5 uL the recombinant kinases were pre-incubated with test compounds for 30 minutes in the kinase reaction buffer (20 mM HEPES pH7.4, 2 mM MnCl2, 10 mM MgCl2, 100 uM Na3VO4, 0.0075% Triton X 100, 0.005% BSA and 1 mM DTT) prior to the addition of 2.5 uL of 1 uM biotin-labeled TK substrates and 10 uM ATP. Then the reaction was stopped after 1 hour incubation at room temperature by adding 5 uL of HTRF® Detection buffer which also contains 0.375 nM Eu3+-cryptate-labeled TK antibody and 0.062 uM streptavidin-XL665(SA-XL665) to allow for detection of the phosphorylated peptide product. After 1 h incubation at room temperature, the fluorescence intensity was measured with Envision™ plate reader (PerkinElmer, USA). Upon excitation at 340 nm by UV, the energy from Eu3+ donor of the antibody is transferred to the FRET acceptor XL665, and XL655 emits light at 665 nm. The level of kinase activity was quantified by the HTRF ratio that calculated from the intensity of emission at 665 nm and emission at 620 nm (fluorescence intensity @ 665 nm/fluorescence intensity @ 620 nm×10,000). The recombinant protein of human MER (528-end) was purchased from Carnabio, Japan. The recombinant human AXL (473-end) and TYRO3 (455-end) were purchased from SignalChem, Canada.
675	1	Inhibition Assay	V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 cells were transfected with plasmids pTriEx3-Hygro-hCyp11B2 or pTriEx3-Hygro-hCyp11B1 using Lipofectamine2000 reagent. V79 cells that stably express the human CYP11B2 or human CYP11B1 enzyme were selected for and maintained in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin for 2 weeks. Single cell clones were generated by infinite dilution in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin until single colonies were obtained. Clones V79-hCYP11B2-CLE9 and V79-hCYP11B1-CL8C7, were determined to produce the most aldosterone and cortisol, respectively, and were selected for inhibitor screening. For testing of inhibitors, cells were harvested at 80% confluency with 0.5% Trypsan-EDTA, washed once in PBS, and reconstituted in DMEM+0.1% BSA media at a cell concentration of 600,000 cells/mL for the CYP11B2 assay and 280,000 cells/mL for the CYP11B1 assay. 25 &#956;L of cells were added to a 384 well tissue culture treated plate and mixed with 0.3 &#956;L of inhibitor or DMSO (1% final DMSO concentration) for 1 hour at 37° C., 5% CO2. After pre-incubation with inhibitor, the reaction was initiated by adding 5 &#956;L of substrate (final concentration of 125 nM 11-deoxycorticosterone for the CYP11B2 assay or 250 nM 11-deoxycortisol for the CYP11B1 assay). The reaction was carried out for 3 hours at 37° C., 5% CO2 and was stopped by harvesting the supernatants. The amount of product in the supernatant (aldosterone for CYP11B2 assay and cortisol for the CYP11B1 assay) was measured using HTRF-based assay kit (Aldosterone HTRF-CisBio#64ALDPEB, Cortisol HTRF-CisBio #63IDC002-CORT). IC50s for the inhibitor were determined by plotting the amount of product formed against the concentration of inhibitor using sigmoidal dose-response curve (variable slope) fit in GraphPad.
676	1	Inhibition Assay	Protein Kinase C beta 2 (PKC&#946;II) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate peptide (A&#8594;S, RFARKGSLRQKNV). This transfer is coupled to the oxidation of &#946;-NADH through the activities of Pyruvate Kinase (PK) and Lactate Dehydrogenase (LDH). &#946;-NADH conversion to NAD+ is monitored by the decrease in absorbance at 340 nm (e=6.22 cm&#8722;1 mM&#8722;1) using a Molecular Devices SPECTRA max PLUS spectrophotometer.A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of assay buffer containing 50 mM HEPES, pH 7.4, 5 nM PKC, 23 units of pyruvate kinase, 33 units of lactate dehydrogenase, 0.15 mM peptide, 0.1 mM ATP, 1 mM DTT, 4 mM PEP, 8 mM MgCl2, 0.3 mM NADH, 60 mM CaCl2, 10 mg/mL PS, 50 ng/mL PMA, 7.5% DMSO and from about 10,000 nM to 0.169 nM compound inhibitor. Stock solutions of 3-sn-phosphatidyl-L-serine (PS) and phorbol-12-myristate-13-acetate (PMA) were sonicated for 30 seconds just prior to addition to assay buffer and assays were initiated by the addition of 100 &#956;M ATP.Steady-state kinetic parameters for the bi-bi kinase reaction were determined at saturating phospho-acceptor peptide substrate concentration (0.15 mM) by fitting initial velocity data to the Michaelis-Menten equation, v=V max [S]/(K M +[S]) where v is the measured initial velocity, Vmax is the maximal enzyme velocity, [S] is the ATP substrate concentration, and KM is the Michealis constant for ATP. Enzyme turnover values (kcat) were calculated according to kcat=Vmax[E], where [E] is the total enzyme concentration. Enzyme inhibition constants (apparent Ki values) were determined by fitting initial velocities at variable inhibitor concentrations to a model for ATP competitive inhibition based on the Morrison equation). Morrison, J. F., Biochim. Biophys Acta 185: 269-286 (1969).
677	1	FLIPR Assay	The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization using FDSS6000 (Hamamatsu Photonics, Japan) by fluo-4. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. prior to experiment in 384 well, Poly-D-Lysine coated, black, clear bottom plates (Greiner Bio-One, Monroe, N.C.). Cells were plated at 20,000 cells/well in 20 &#956;l growth medium and incubated at 37° C. with 5% CO2 overnight. At time of assay, media was replaced with 40 &#956;l 1×Hank&#39;s Buffered Saline Solution (HBSS) (with 10 mM HEPES) and 20 &#956;l test compound also diluted in 1×HBSS buffer was added at various concentrations and 0.67% DMSO final concentration on the FDSS for agonist measurement. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;l of agonist peptide for antagonist measurement on the FDSS. The agonist peptide H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 for PAR4 antagonist screen or SFFLRR for PAR1 counter screen were routinely tested to ensure a response at EC50 in the assay (2.5 &#956;M for H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 and 600 nM for SFFLRR).
679	1	Enzyme Activity	he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using the Trevigen HT F homologous poly (adenosine diphosphate-ribose) polymerase inhibition assay kit (TREVIGEN HT F homogeneous PARP Inhibition Assay Kit, No. 4690-096-K). The assays are based on the NAD+ amount needed to be consumed during the DNA repair process, which is also used in another reaction for catalyzing the substrate without fluorescence activity into molecules with high fluorescence activity. Therefore, the NAD+ level in the reaction system can be learned by measuring the enhancement degree of the fluorescence signal, and then the inhibition degree of the test compound on the enzyme activity of PARP was calculated.The instructions of TREVIGEN HT F homologous poly (adenosine diphosphate-ribose) polymerase inhibition assay kit can be used as reference for the detailed operation of the assays as well as the preparation of the reagents, such as the reaction mixture (reaction mix), cycling reaction mixture (cycling mix), a buffer solution (buffer), and the like.The procedures for the assay are summarized as follows: The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1× buffer to the concentration desired in the experiment. 25 &#956;L of a 200 nM NAD+ solution was added to a 96-well round bottomed plate, followed by the addition of 1 &#956;L of tested compounds solution, and the control of replicate wells were installed. Then 25 pt of the reaction mixture containing DNA, PARP enzyme and reaction buffer was added into each well. After incubating for 30 minutes at room temperature, 50 &#956;L of cycling reaction mixture was added into each well and incubated in the dark at room temperature for 15 to 40 minutes. Then 50 pt of stop solution was added into each well and the fluorescence values of each well were read on an ELISA (Ex544 nm, Em590 nm). The inhibition rate of the test compound on the enzyme activity of PARP could be calculated by the standard curve equation of NAD+.
680	1	Surface Plasmon Resonance (SPR) Assay	Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin proteins with mono-biotinylation were immobilized onto a Biotin CAPture chip (GE Healthcare, cat. #28920234). SPR experiments were carried out on an upgraded Biacore T200 system using a running buffer containing the inhibitor, 10 mM HEPES, pH 7.4, 150 mM NaCl, 0.05% P20, and 3% DMSO. Single-cycle kinetics measurements were used to study the interactions between cyclophilin inhibitors and different cyclophlins. Accordingly, compound at various concentrations was injected to the flow cells with a contact time of 1 min each at a flow rate of 50 &#956;L/min. The final dissociation phase lasts for 10 min following the sample injection. Data was analyzed using Biacore T200 Evaluation Software Version 1.0 and a 1:1 binding model was applied to fit the data to obtain kon, koff, and KD.
683	1	Binding Activity	DDR1 binding activity was measured using the LanthaScreen(Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation). The test compound and the Alexa Fluor 647-labeled Kinase Tracer 178 (manufactured by Life Technologies Corporation) were added to a mixture of DDR1 and the LanthaScreen(Registered trademark) Eu-anti-GST antibody. After one-hour reaction at room temperature, the fluorescence resonance energy transfer was measured. The 50% inhibitory concentration (IC50) was calculated from the inhibition rate relative to the test compound-free control.
674	1	JAK Caliper Enzyme Assay at 1 mM ATP	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
684	1	IRAK1 Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRAK-1 inhibition is performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A).His-TEV-IRAK-1 (15 ng/well), ATP (1 &#956;M, [33P]ATP 0.25 &#956;Ci/well) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) are incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton-X-100 0.01%. Kinase reaction is stopped by addition of EDTA. Supernatant is discarded, plates are washed three times with 150 mM NaCl and radioactivity is then measured in a Microbeta Trilux reader.
684	2	IRAK4 Enzymatic Assay	IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International based in Bagnols/C ze FR).Measurement of IRAK-4 inhibition is performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A). His-TEV-IRAK4 (20 ng/well), ATP (2 &#956;M, [33P]ATP 0.25 &#956;Ci/well), STK1-biotin peptide (300 nM) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) are incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Tween-20 0.01%, MnCl2 5 mM. Kinase reaction is stopped by addition of EDTA. Supernatant is discarded, plates are washed three times with 150 mM NaCl and radioactivity is then measured in a Microbeta Trilux reader.
685	1	[125I]DOI Radioligand Binding Assay	Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2 and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under reduced pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvester. Filters were then washed several times with ice-cold wash buffer (50 mM Tris-HCl, pH 7.4). Plates were then dried at room temperature and counted in a Wallac MicroBeta scintillation counter. 
686	1	HTRF-Based Assay	CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 cells were transfected with plasmids pTriEx3-Hygro-hCyp11B2 or pTriEx3-Hygro-hCyp11B1 using Lipofectamine2000 reagent. V79 cells that stably express the human CYP11B2 or human CYP11B1 enzyme were selected for and maintained in DMEM supplemented with 10% FBS and 400 g/mL hygromycin for 2 weeks. Single cell clones were generated by infinite dilution in DMEM supplemented with 10% FBS and 400 g/mL hygromycin until single colonies were obtained. Clones V79-hCYP11B2-CLE9 and V79-hCYP11B1-8CL7, were determined to produce the most aldosterone and cortisol, respectively, and were selected for inhibitor screening. For testing of inhibitors, cells were harvested at 80% confluency with 0.05% Trypsan-EDTA, washed once in PBS, and reconstituted in DMEM+0.1% BSA media at a cell concentration of 600,000 cells/mL for the CYP11B2 assay and 280,000 cells/ml for the CYP11B1 assay. 25 &#956;L of cells were added to a 384 well tissue culture treated plate and mixed with 0.3 &#956;L of inhibitor or DMSO (1% final DMSO concentration) for 1 hour at 37° C., 5% CO2. After pre-incubation with inhibitor, the reaction was initiated by adding 5 &#956;L of substrate (final concentration of 125 nM 11-deoxycorticosterone for the CYP11B2 assay or 250 nM 11-deoxycortisol for the CYP11B1 assay). The reaction was carried out for 3 hours at 37° C., 5% CO2 and was stopped by harvesting the supernatants. The amount of product in the supernatant (aldosterone for CYP11B2 assay and cortisol for the CYP11B1 assay) was measured using HTRF-based assay kit (Aldosterone HTRF-CisBio #64ALDPEB, Cortisol HTRF-CisBio #63IDC002-CORT). 
689	1	Binding Assay	Brain membrane preparation and binding assays for the &#963;1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. Ford-Rice, 1992, Characterization of the binding of [3H]-(+)-pentazocine to 6 recognition sites in guinea pig brain, Eur. J. Pharmacol. 227, 371-378) with some modifications. Guinea pig brains were homogenized in 10 vols. (w/v) of Tris-HCl 50 mM 0.32 M sucrose, pH 7.4, with a Kinematica Polytron PT 3000 at 15000 r.p.m. for 30 s. The homogenate was centrifuged at 1000 g for 10 min at 4° C. and the supernatants collected and centrifuged again at 48000 g for 15 min at 4° C. The pellet was resuspended in 10 volumes of Tris-HCl buffer (50 mM, pH 7.4), incubated at 37° C. for 30 min, and centrifuged at 48000 g for 20 min at 4° C. Following this, the pellet was resuspended in fresh Tris-HCl buffer (50 mM, pH 7.4) and stored on ice until use.The radioligand used was [3H]-(+)-pentazocine at 5.0 nM and the final volume was 200 &#956;l. The incubation was initiated with the addition of 100 &#956;A of membrane at a final tissue concentration of approximately 5 mg tissue net weight/mL and the incubation time was 150 m. at 37° C. After incubation, the membranes were collected onto pretreated glass fiber filterplate (MultiScreen-FC, Millipore), with polyethylenimine 0.1%. The filters were washed two times with 200 &#956;A of washing buffer (50 mM Tris CI, pH=7.4) and then 25 &#956;l of Ecoscint H liquid scintillation cocktail were added. Microplates were allowed to set for several hours and then quantified by liquid scintillation spectrophotometry (1450 Microbeta, Wallac). 
690	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) 	The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and purified by immobilized metal affinity chromatography. BTK was mixed with peptide substrate (biotin-TYR1, Sequence: Biotin-(Ahx)-GAEEEIYAAFFA-COOH, 0.2 &#956;M final) at varying inhibitor concentrations in reaction buffer: 50 mM MOPSO pH 6.5, 10 mM MgCl2, 2 mM MnCl2, 2.5 mM DTT, 0.01% BSA, 0.1 mM Na3VO4 and 0.001 mM ATP. After about 60 mM incubation at room temperature, the reaction was quenched by addition of EDTA (final concentration: 100 mM) and developed by addition of detection reagents (final approximate concentrations: 30 mM HEPES pH 7.0, 0.06% BSA, 0.006% Tween-20, 0.24 M KF, 80 ng/mL PT66K (europium labeled anti-phosphotyrosine antibody cat #61T66KLB Cisbio, Bedford, Mass.) and 0.6 &#956;g/mL SAXL (Phycolink streptavidin-allophycocyanin acceptor, cat #PJ25S, Prozyme, San Leandro, Calif.). The developed reaction was incubated in the dark for about 60 mM at room temperature, then read via a time-resolved fluorescence detector (Rubystar, BMG) using a 337 nm laser for excitation and monitoring emission wavelength at 665 nm. Within the linear range of the assay, the observed signal at 665 nm was directly related to phosphorylated product and can be used to calculate the IC50 values.
688	1	Caliper-Based Kinase Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kinase activity of a compound of Formula (III). Serial dilutions of test compounds were incubated with either human recombinant FGFR1 (0.5 nM), FGFR2 (0.1 nM, FGFR3 (0.9 nM), or FGFR4 (2 nM), ATP (FGFR1: 100 &#956;M; FGFR2: 75 &#956;M; FGFR3: 120 &#956;M; FGFR4: 250 &#956;M) and a phosphoacceptor peptide substrate FAM-KKKKEEIYFFF-CONH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper LabChip 3000. Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated.
691	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. 
691	2	PDGFR&#946; Kinase Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
692	1	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 mL/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. 
692	2	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms.
693	1	ssay of Inhibitory Activity on Wild Type EGFR and Mutant EGFR Kinase	All reagents used in the following z&#8242;-lyte assay were purchased from Invitrogen.The inhibitory activity on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determined by the z&#8242;-lyte assay.The working concentrations of each component in 10 &#956;L T790M/L858R kinase reaction system were: 25 &#956;M ATP, 0.1 ng/&#956;L T790M/L858R kinase, 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). The concentration of DMSO after addition of the compound prepared in the above examples of the present invention (i.e., the compound to be tested) was 2 vol %.The working concentrations of each component in 10 &#956;L wild-type EGFR kinase reaction system were: 10 &#956;M ATP, 0.8 ng/&#956;L wild-type EGFR kinase, 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). The concentration of DMSO after addition of the compound to be tested was 2 vol %.10 mM drug stock solution was dissolved at room temperature and gradiently diluted to a final concentration of 4-0.002 &#956;M with 8 vol % DMSO solution. 2.5 &#956;L of the solution of the compound to be tested and 5 &#956;L of the mixture of T790M/L858R kinase (or wild-type EGFR kinase) and Tyr04 substrate diluted with the reaction buffer were added to each well. Then 2.5 &#956;l of ATP was added to initiate the reaction. Wherein, ATP was replaced by the reaction buffer in well C1, no drug was added to well C2, and the phosphorylated substrate was added to well C3 according to the instructions. The mixture was allowed to react at 25° C. in a shaker in dark for 60 min. 5 &#956;L of Development Reagent B (Invitrogen, diluted with TR-FRET dilution buffer) was added and allowed to react at room temperature in the shaker for 60 minutes. The plate was read on a Victor X5 plate reader (PerkinElmer) and the absorbance was measured at excitation wavelengths of 405 nm and emission wavelengths of 450 nm and 520 nm (for example, C3520 nrn indicates the absorbance for well C3 at 520 nm).The inhibition rate was calculated according to the following method (refer to the instructions of Invitrogen, PV3193):1. ER=Coumarin Emission (450 nm)/Fluorescein Emission (520 nm)2. Phosphorylation ratio=(1&#8722;(ER×C3520 nm&#8722;C3450 nm)/((C1450 nm&#8722;C3450 nm)+ER×(C3520 nm&#8722;C1520 nm))))×100%3. Inhibition ratio (IR)=(1&#8722;(phosphorylation ratio of the test compound)/(phosphorylation ratio of C2))×100%The half-inhibitory concentration IC50 was obtained through fitting calculation by using XLFIT 5.0 software (IDBS, UK).
694	1	Metalloenzyme Activity	V79-4 cells expressing recombinant andrenodoxin and andrenodoxin reductase with either recombinant human CYP11B2 or CYP11B1 were prepared according to methods previously described (LaSala et al 2009 Anal Bioch 394:56-61). An enzyme enriched microsomal fraction was prepared from cellular lysates and subsequently used as the enzyme source for determining inhibitor IC50s. The substrate Km values were experimentally determined for 11-deoxycorticosterone (CYP11B2 substrate) and 11-deoxycortisol (CYP11B1 substrate). Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Products of the enzyme reactions, aldosterone for CYP11B2 or cortisol for CYP11B1, were measured by LC-MS. Assays were run under conditions of less than 20% substrate turnover. Inhibitor IC50s were generated by determining the product formation in the absence or presence of inhibitor at various concentrations. In the absence of the test compound, the product formed (Pt) in each data set was defined as 100% activity. In the absence of enzyme, the product formed (Pb) in each data set was defined as 0% activity. The percent activity in the presence of each inhibitor was calculated according to the following equation: % activity=(P&#8722;Pb)/(Pt&#8722;Pb), where P=the product formed in the presence of the inhibitor. The IC50 value was defined as the inhibitor concentration causing a 50% decrease in activity relative to the no inhibitor control reaction.
696	1	In Vitro DAAO Enzyme Assay	The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which can be quantitatively measured using the Amplex Red (Invitrogen) detection. Amplex Red reagent is a colorless substrate that reacts with hydrogen peroxide (H2O2) with a 1:1 stoichiometry in the presence of hydrogen peroxide to produce highly fluorescent resorufin (excitationemission maxima=570/585 nm). The changes in fluorescence were monitored by a fluorescence plate reader, Envision (Perkin Elmer) and increases in DAAO activity were readily detected upon addition of D-Serine and suppression of this response observed with the application of test compounds.Human DAAO Enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 &#956;l portion of assay buffer was added to the wells of a 384 clear base black walled plate (Corning), 5 &#956;l of diluted compound was then added via automated plate to plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 &#956;l of human DAAO enzyme and then 5 &#956;l D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 &#956;l Amplex red reagent (Invitrogen) was added to all wells as per manufacturer&#39;s protocol. The plate was incubated for 60 minutes in the dark at 25° C. and the fluorescence in each well was measured in the Envision plate reader.The IC50 values for compounds were determined from ten point half log scale dose-response studies and represent the concentration of compound required to prevent 50% inhibition of DAAO activity in the presence of 10 mM D-Serine. Concentration response curves were generated using the average of duplicate wells for each data point and analyzed using nonlinear regression and four parameter curve fit.
697	1	Cell Surface Biotinylation Assay	Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three times with ice-cold PBS and resuspended in PBS at a density of 25×106 cells/ml. Freshly prepared Sulfo-NHS-SS-biotin (Pierce) was added to the cells (final concentration 0.5 &#956;g/ml) and allowed to incubate at 4° C. for 30 min. Cells were then washed three times with ice-cold PBS. 25 mM Tris (pH 8.0) was added in the initial wash to quench any non-reacted biotin reagent. Following cell lysis in RIPA buffer (50 mM Tris-HCl [pH 7.5], 150 mM NaCl, 1% NP-40, 0.25% sodium deoxycholate, 1 mM EDTA, 2 mM Na3VO4 and Pierce protease inhibitor cocktail), lysates were cleared by centrifugation at 13,000×g for 15 min at 4° C. The cleared lysates were used for immunoprecipitation using a 1:1 mixture of Streptavidin beads (Pierce). Beads were washed three times with RIPA buffer, and bound proteins were eluted by boiling the samples in SDS-PAGE sample buffer and then resolved on 9% SDS-PAGE. Biotinylated proteins were detected by anti-PHB1 and anti-PHB2 antibodies.
699	1	TNF inhibition assay	Samples were tested for TNF as per the manufacturer&#39;s instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with PBS+1% BSA to the appropriate dilution condition for the cell prep, typically a 1:4 or 1:6 dilution.
699	2	PDE4 Inhibition Assay	The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or MnCl2). In a separate 96-well polypropylene plate, compound dilutions were prepared in assay buffer. Separate microcentrifuge tubes were prepared of PDE4B and PDE4D according to assay template in assay buffer. The tubes were kept on ice. The enzyme concentration shown on the template were diluted by 1:4. FAM-cAMP substrate solution was prepared according to assay template. 5 &#956;l compound was transferred from polypropylene plate into black 384-well plate. This plate was centrifuged briefly to make sure all 5 &#956;l is on the bottom. Up to 80 &#956;l of prepared PDE4B enzyme solution was transferred into alternate wells on row N of 384-well plate starting from cell N1. Up to 80 &#956;l of prepared PDE4D enzyme solution was transferred into alternate wells on row &#39;O&#39; of 384-well plate, starting from cell O2. cAMP substrate solution was transferred into bottom row of separate 96-well plate. 5 &#956;l of enzyme solution from the "reservoir" row (N or O) was transferred to each of the wells containing compounds, per layout map. Next, 10 &#956;l of cAMP substrate was transferred to these wells. The order of substrate-first or enzyme-first can be switched depending on what is optimal. The final cAMP concentration was 100 nM in the reaction. 20 &#956;l of assay buffer was pipetted into 4 separate wells these are the blanks. The plate was sealed with an aluminum strip and incubated at 30° C. for 90 minutes. A TR-FRET solution was prepared. 4 ml of 1× IMAP Buffer A was added to 6 ml of IMAP Buffer B. 25 &#956;l (1/800 of 20 ml) of binding beads was added to this and mix by inverting. 60 &#956;l of this mixture was pipetted into 2 of the wells containing the "blank" assay buffer. Next, 49.7 &#956;l (1/400 of remaining volume) of Tb donor solution was added to the remaining TR-FRET solution and mixed by inverting. 60 &#956;l of this solution was pipetted into remaining 2 blank assay buffer-containing wells. The TR-FRET solution was poured into a pipette boat and a multichannel pipette was used to drop 60 &#956;l of solution into all assay wells. The wells were covered with a foil strip and incubated for at least 3 hours or overnight protected from light (e.g. in a drawer) at room temperature. The plate was read on the Envision Reader: Emission 1: 520/Emission 2: 486/Exc: 340. Mirror: Umbelliferone (UV).
700	1	R132H IDH1 Enzymatic Assay	Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is dispensed to a 384-well Greiner Lumitrac 200 assay plate using an Echo Liquid Handler. To each well of the plate is added 20 uL of enzyme in assay buffer or assay buffer alone. Assay buffer consists of 50 mM sodium phosphate, pH 7.0, 50 mM magnesium chloride, 50 mM sodium chloride, and 0.01% (w/v) bovine serum albumin. When present, the R132H mutant IDH1 enzyme is at a working concentration of 1.875 nM (final concentration in assay of 1.5 nM). The assay plate is allowed to incubate for 30 minutes at room temperature and 5 uL of 5× substrate mixture (2.5 uM nicotinamide adenine dinucleotide phosphate, 100 uM adenosine diphosphate, 7.5 mM glyceraldehyde-3-phosphate, 7.5 ug/mL of spinach glyceraldehyde-3-phosphate dehydrogenase, 25 nM phosphoglycerate kinase, and 5 mM alpha-ketoglutarate in assay buffer) is added to all wells. The reaction plate is incubated for 60 minutes followed by addition of 25 uL of Promega Kinase-GLO reagent to all wells and 10-minute incubation.Luminescence is measured using a PerkinElmer Envision plate reader. The percent activity of each dilution is determined as the ratio of background corrected signal to the background corrected signal of wells receiving only DMSO. IC50 values are determined by fitting percent activity data to a four-parameter logistic dose response equation. The IC50 values of the exemplified compounds are included in the tables above in Examples section.Using the above biological assay, all compounds in the examples have IC50 of about 1 nM to about 40,000 nM, or more specifically, about 1 nM to about 20,000 nM, or even more specifically, about 5 nM to about 15,000 nM, or even more specifically, about 5 nM to about 10,000 nM, or even more specifically, about 5 nM to about 5,000 nM, or still more specifically, about 5 nM to about 1,000 nM. Such a result is indicative of the intrinsic activity of the compounds in use as an inhibitor of a mutant IDH1 enzyme. Specific IC50 activity data for the exemplified compounds disclosed herein is provided in the following table.
701	1	E-VIPR Optical Membrane Potential Assay	Sodium channels are voltage-dependent proteins that can be activated by inducing membrane voltage changes by applying electric fields. The electrical stimulation instrument and methods of use are described in Ion Channel Assay Methods PCT/US01/21652, herein incorporated by reference and are referred to as E-VIPR. The instrument comprises a microtiter plate handler, an optical system for exciting the coumarin dye while simultaneously recording the coumarin and oxonol emissions, a waveform generator, a current- or voltage-controlled amplifier, and a device for inserting electrodes in well. Under integrated computer control, this instrument passes user-programmed electrical stimulus protocols to cells within the wells of the microtiter plate.
704	1	Vasoreactivity in Rat Mesenteric Arteries In Vitro	Male rats (Sprague-Dawley; 200-250 g) were stunned and killed by cervical dislocation. The mesentery was removed and third-order arteries mounted in an automated tension myograph (Danish Myotechnology). After an equilibration period of 45 min, vessels were normalized and diameter determined. Following normalization, each vessel was contracted repeatedly with the thromboxane A2-mimetic 9,11-dideoxy-11&#945;,9&#945;-epoxymethano-prostaglandin F2&#945; (U46619; 1 &#956;M) until the response was reproducible. The vessels were then washed to restore basal tone before contracting to approximately 50% of the maximum U46619-induced response. Once a stable response to U46619 was achieved, cumulative concentration-response curves were constructed with a variety of NPR-C agonists of the invention at varying concentrations (0.001-30 &#956;M), or vehicle (DMSO). In some studies, concentration-response curves to NPR-C agonists were conducted in the presence of the NPR-C antagonist M372049 (10 &#956;M). Only one curve to any one agonist was constructed in any single tissue.
706	1	Assay for Dopamine Reuptake Inhibition	Uptake inhibition assay for the dopamine transporter was conducted in rat brain synaptosomes as described elsewhere with minor modifications (Rothman et al., Synapse 39, 32-41 (2001)). Freshly removed caudate was homogenized in 10% ice-cold sucrose with 12 strokes of a hand-held Potter-Elvehjem homogenizer followed by centrifugation at 1000×g for 10 min. The supernatants were saved on ice and used immediately. Transporter activity was assessed using 5 nM [3H]dopamine. The assay buffer was Krebs-phosphate buffer containing 154.4 mM NaCl, 2.9 mM KCl, 1.1 mM CaCl2, 0.83 mM MgCl2, 5 mM glucose, 1 mg/mL ascorbic acid, and 50 &#956;M pargyline. The selectivity of the uptake assay for DAT was optimized by including 100 nM citalopram and 100 nM desipramine as blockers of SERT and NET in the sucrose solution and assay buffer. Uptake inhibition assays were conducted at 25° C. and were initiated by adding 100 &#956;l of tissue to 900 &#956;L assay buffer containing test drug and [3H]dopamine. Test drugs were diluted in assay buffer containing 1 mg/mL bovine serum albumin. Nonspecific uptake was measured by incubating in the presence of 10 &#956;M indatraline. The reactions were stopped after 15 minutes by rapid vacuum filtration with a cell harvester (BRANDEL) over GF/B filters (Whatman) presoaked in wash buffer maintained at 25° C. (10 mM Tris-HCl, pH 7.4/150 mM NaCl). Filters were rinsed with 6 mL wash buffer and retained tritium was quantified by a MicroBeta liquid scintillation counter (PerkinElmer) after overnight extraction in 0.6 mL of liquid scintillation cocktail (Cytoscint, ICN). The data from three experiments were pooled and fit to a dose-response curve equation (using Kaleidagraph), to yield an Emax and EC50 value.
709	1	HCV Replicon Luciferase Assay	To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with HCV replicon cells (50 &#956;L at a density of 2.4×103 cells/well) in DMEM containing 4% FBS (final DMSO concentration at 0.5%). After 3 days incubation at 37° C., cells were analyzed for Renilla Luciferase activity using the EnduRen substrate (Promega cat #E6485) according to the manufacturer&#39;s directions. Briefly, the EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 &#956;M. The plates were incubated for at least 1 h at 37° C. then read on a Viewlux Imager (PerkinElmer) using a luminescence program. The 50% effective concentration (EC50) was calculated using the four-parameter logistic formula noted above.
712	1	Measurement of Antiviral (HIV-1) Activity	The medium (40 &#956;L), a test substance (10 &#956;L) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 &#956;L) wherein HIV-1 NL4-3 strain was infected with MOI (infection multiplicity) 0.05 were added to each well of a 96-well black plate (manufactured by Corning Incorporated), and the mixture was cultured at 37° C. for 5 days.medium composition: RPMI1640, 10% FBS, 100 U/mL penicillin, 100 &#956;g/mL streptomycin.Then, Cell Titer-Glo (manufactured by Promega Corporation, 100 &#956;L) was added to each well, and the mixture was stood at room temperature for 10 min, and the luminescence intensity was measured.
727	1	WNT pathway reporter gene assay	NIH3T3 mouse fibroblast cells (American Type Culture Collection, Manassas, Va.) were transfected with a plasmid containing a luciferase gene driven by 5 copies of TCF elements. Stale cells selected with 1 &#956;g/mL of Zeocin (Gibco/Invitrogen, Carlsbad, Calif.) are cultured in Dulbecco&#39;s modified Eagle&#39;s medium (Invitrogen, Carlsbad, Calif.) supplemented with 10% FBS (Invitrogen), 50 unit/mL penicillin and 50 &#956;g/mL of streptomycin (Invitrogen) at 37° C. with 5% CO2 in air atmosphere. Suspension HEK293 cells (ATCC) were transfected with a plasmid containing full-length human WNT-3a cDNA sequence driven by a CMV promoter, and stable cells were selected in FreeStyle 293 medium (Invitrogen) supplemented with 100 ug/mL G418.The NIH3T3 TCF-Luc cells and 293 WNT3a cells were co-cultured in a 96-well plate with DMEM medium supplemented with 0.5% FBS. After 16 hours, the firefly luciferase activities are measured with the Steady-Glo Luciferase Assay System (Promega). The cells were treated with different concentrations of compounds of this invention during the co-culture. The IC50s were defined as the concentration when the compounds reduce the luminescence intensity by 50%. To normalize for cell quantity and viability, CellTiter Glo assay is next performed in a duplicate plate.
728	1	Calcium Flux Assay	This assay was used to test compounds for their ability to inhibit TARP &#947;8 dependent AMPA receptor activity. The AMPA receptor is a non-selective cation channel activated by glutamate. Ionotropic glutamate receptors normally desensitize too rapidly to allow detectable calcium influx in a FLIPR assay (Strange et al. (2006). Functional characterisation of homomeric ionotropic glutamate receptors GluR1-GluR6 in a fluorescence-based high throughput screening assay. Comb Chem High Throughput Screen 9(2): 147-158). But, this desensitization is incomplete, and a substantial steady-state current remains in the sustained presence of glutamate (Cho et al. (2007). Two families of TARP isoforms that have distinct effects on the kinetic properties of AMPA receptors and synaptic currents. Neuron 55(6): 890-904).An in vitro assay was used to determine the potency of test compounds as inhibitors of the glutamate response of the channel formed by GluA10-&#947;8. To ensure a 1:1 stoichiometry of GluA1o and &#947;8 subunits in the expressed channel, a fusion of the cDNAs for GRIA1o and CACNG8 was used. Following Shi et al (2009) The stoichiometry of AMPA receptors and TARPs varies by neuronal cell type. Neuron 62(5): 633-640), the C-terminus of the cDNA for GRIA1o was fused to the N-terminus of the cDNA for &#947;8. The linker sequence was QQQQQQQQQQEFAT. Channels expressed with this construct appear to have similar properties to channels formed by co-expression of GRIA1o with an excess of CACNG8 (Shi et al. 2009). A clonal cell line in HEK293 cells stably expressing this construct, with a geneticin selection marker, was generated for use in this assay.Cell expressing the GRIA1o-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2, 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra.The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound. The data in Table 4 below illustrates the observed potency for the compounds described herein. pIC50 refers to the negative log of the IC50 in molar.
729	1	KINOMEscan Enzyme Binding Assays	Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology performed by DiscoveRx Corporation, San Diego, Calif., USA (www.kinomescan.com).
730	1	Btk Enzyme Activity Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ.ID.NO.: 1), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10)) compound concentrations.
731	1	Biological Assay	The compounds of the present invention have an inhibition effect on the binding of E (estrogen) to ER (estrogen receptor), thereby blocking the binding of a complex of E and ER to ERE (estrogen responsive element), and subsequently blocking the expression of downstream luciferase protein.
733	1	Kinase Assay of RIPK1	Materials: Recombinant full-length RIPK1 protein with N-terminal GST-tag (Cat#R07-34G) was purchased from SignalChem. The ADP-Glo kinase assay kit (Cat#V9102) was from Promega. MBP (cat# M2295) protein and all the other chemicals were from Sigma. The 384-well assay plates (Cat#3674, white, opaque) were purchased from Corning. Kinase activity assay and data analysis: The RIPK1 kinase assay was performed in white 384-well plate. The assay buffer contained 25 mM HEPES (pH7.2), 20 mM MgCl2, 12.5 mM MnCl2, 5 mM EGTA, 2 mM EDTA, 12.5 mM &#946;-glycerol phosphate and 2 mM DTT. RIPK1 was first incubated with compounds or DMSO control for 15 mM, then ATP/MBP substrate mixture was added to initiate the reaction. The final concentration of RIPK1 was 161 nM, while the final concentration of ATP was 50 uM, and MBP 20 uM. After 90 min reaction at room temperature, the ADP-Glo reagent and detection solution were added following the technical manual of ADP-Glo kinase assay kit (Promega). The luminescence was measured on PerkinElmer Enspire. The data was analyzed using Graphpad Prism (GraphPad Software; www.graphpad.com). The curves were fitted using a non-linear regression model with a sigmoidal dose response.
734	1	competition binding assay	The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to confirm the identity of the amplified sequence. To demonstrate the affinity of the compounds from the present invention to the human V1a receptor binding studies were performed. Cell membranes were prepared from HEK293 cells transiently transfected with the expression vector and grown in 20 liter fermenters with the following protocol.50 g of cells are re-suspended in 30 ml freshly prepared ice cold Lysis buffer (50 mM HEPES, 1 mM EDTA, 10 mM MgCl2 adjusted to pH=7.4+complete cocktail of protease inhibitor (Roche Diagnostics)). Homogenized with Polytron for 1 min and sonicated on ice for 2×2 minutes at 80% intensity (Vibracell sonicator). The preparation is centrifuged 20 min at 500 g at 4° C., the pellet is discarded and the supernatant centrifuged 1 hour at 43,000 g at 4° C. (19,000 rpm). The pellet is re-suspended in 12.5 ml Lysis buffer+12.5 ml Sucrose 20% and homogenized using a Polytron for 1-2 min. The protein concentration is determined by the Bradford method and aliquots are stored at &#8722;80° C. until use. For binding studies 60 mg Yttrium silicate SPA beads (Amersham) are mixed with an aliquot of membrane in binding buffer (50 mM Tris, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 10 mM MgCl2) for 15 minutes with mixing. 50 &#956;l of bead/membrane mixture is then added to each well of a 96 well plate, followed by 50 &#956;l of 4 nM 3H-Vasopressin (American Radiolabeled Chemicals). For total binding measurement 100 &#956;l of binding buffer are added to the respective wells, for non-specific binding 100 &#956;l of 8.4 mM cold vasopressin and for compound testing 100 &#956;l of a serial dilution of each compound in 2% DMSO. The plate is incubated 1 h at room temperature, centrifuged 1 min at 1000 g and counted on a Packard Top-Count. Non-specific binding counts are subtracted from each well and data is normalized to the maximum specific binding set at 100%. To calculate an IC 50 the curve is fitted using a non-linear regression model (XLfit) and the Ki is calculated using the Cheng-Prussoff equation.
735	1	Aurora A Inhibition Assay	For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring to the method described in JP-A-2008-81492. As the first step of measuring the inhibitory activity of the compound, the test compound was serially diluted with dimethyl sulfoxide (DMSO). Subsequently, purified human aurora A protein, FL-Peptide 21 (Caliper Life Sciences, Inc., a final concentration of 100 nM), ATP (a final concentration of 5 &#956;M), and the solution of the compound of the present invention in DMSO (a final DMSO concentration of 5%) were added to a reaction buffer [50 mM Tris-hydrochloric acid buffer (pH 7.4), 15 mM magnesium acetate, and 0.2 mM ethylenediamine-N, N, N&#8242;, N&#8242;-tetraacetic acid (EDTA)]. Then, the resulting mixture was incubated at 25° C. for 50 minutes to carry out kinase reactions. Then, the IMAP Progressive Binding Reagent diluted 500-fold with the IMAP Progressive Binding Buffer A (the product of Molecular Devices, LLC.) was added thereto to terminate the kinase reaction. After leaving the resulting product to stand in the dark at room temperature for 120 minutes, the amount of phosphorylation was determined from the degree of fluorescence polarization as measured by the PHERAstar (BMG LABTECH, excitation wavelength of 485 nm, detection wavelength of 520 nm). Then, the concentration of the compound at which the phosphorylation reaction can be inhibited by 50% was defined as the IC50 value (nM).
735	2	Aurora B Inhibition Assay	The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as the above method for aurora A, and purified recombinant human aurora B protein was purchased from Carna Biosciences, Inc. The reaction buffer has the following composition: 20 mM HEPES (pH 7.4), 2 mM DTT, 0.01% Tween-20, magnesium chloride at a final concentration of 1 mM, and ATP at a final concentration of 40 &#956;M, and the incubation time was 60 minutes. The concentration of the compound at which the phosphorylation reaction can be inhibited by 50% was defined as the IC50 value (nM).
736	1	TR-FRET PIK3 Assay	TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIPS for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product resulted in a decrease in TR-FRET signal as the labeled fluorophore was displaced from the GRP-1 protein binding site.Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2× Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. The compounds of Table 1 and Compound X ((S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile) were added to the assay solution and incubated for 30 minutes at 25° C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIPS, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 is delay and 500 is read window).The results were normalized based on positive (1 &#956;M wortmanin) and negative (DMSO) controls, and the IC50 values for PI3K&#945;, &#946;, &#948;, and &#947; were calculated from the fit of the dose-response curves to a four-parameter equation. These assays generally produced results within 3-fold of the reported mean.
739	1	PI3K delta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.). The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
739	2	PI3K Enzyme Assay	Lipid kinase substrate, phophoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; are purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.). The kinase reaction are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination is performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
742	1	URAT1 (SLC22A12) activity	URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was used as the test transport agent, which was measured in a liquid scintillation counter, using benzbromarone as a positive control, and DMSO and non-transfected CHO cells as negative controls (Solvo Biotechnology, Boston, Mass.). Over 7 concentrations (range, 0.01 to 150 &#956;M), a semi-log plot (percent relative transport of oratate vs. time) was generated to determine the concentration at which 50% inhibition was observed (i.e., the IC50).
742	2	xanthine oxidase activity	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
743	1	In Vitro Competitive Activity-Based Protein Profiling (Human)	Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or JW912 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L 4x) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49k software.
744	1	Bak Peptide Binding Assay	Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-one, Monroe, N.C., USA). The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 14 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). For selectivity assays, 40 nM Bcl-2 (residues 1-207A96T,G110R, &#916;35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer. Compounds are diluted in DMSO in a 10-point, 3-fold serial dilution scheme. 2.5 uL compound is added to 47.5 uL of assay buffer containing FITC-Bak and protein, for a final DMSO concentration of 5% and a top concentration of 20 uM. A FITC-Bak peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. The plate was mixed and incubated for 90 minutes at room temperature. Anisotropy is measured at excitation wavelength 480 nm and emission wavelength 535 nm using an EnVision Multi-label plate reader (PerkinElmer, Wellesley, Mass., USA). Fluorescence anisotropy is plotted against compound concentration to generate an IC50 (inhibitor concentration at which 50% of bound peptide is displaced) by fitting the data to a 4-parameter logistic model using XLFit software (Guildford, Surrey, UK). IC50 is converted to a binding dissociation constant (Ki value) according to the formula of Wang Z. FEBS Lett (1996) 3, 245:K i =[I] 50/([L] 50 /K d +[P] 0 /K d+1)where [I]50 is the concentration of the free inhibitor at 50% inhibition, [L]50 is the concentration of the free labeled ligand at 50% inhibition, [P]0 is the concentration of the free protein at 0% inhibition, Kd represents the dissociation constant of the FITC peptide probe.
745	1	SHP2 Allosteric Inhibition Assay	More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat#3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT. The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat# D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat# ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
746	1	MGAT LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON 96-well polypropylene plates, in a total volume of 60 &#956;L of 50 mM potassium phosphate buffer pH 7.4, containing a final concentration of 100 &#956;M 2-oleoylglycerol, 15 &#956;M oleoyl-coenzyme A and 0.0013 &#956;g/L human or mouse MGAT-2 or 0.0026 &#956;g/L rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &#956;L of ice cold methanol containing 1 &#956;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters SYMMETRY C8, 50×2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of Phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65° C. Mass spectrometry analysis of the samples was performed on a ThermoFisher Quantum Triple quad utilizing APCI (+) as the mode of ionization. Data was acquired in Single Ion Monitoring (SIM) mode analyzing Diolein=m/z 603.6 (PRODUCT) and 1,2-distearoyl-rac-glycerol (IS)=m/z 607.6. The ratio of Diolein to internal standard (Peak Area Ratio) is utilized to calculate IC50 values.
748	1	Human GOAT Enzymatic Assay	Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO to obtain a ten-point dilution curve with final compound concentrations ranging from 10 &#956;M to 0.5 nM in a 96-well round-bottom plate. Prepare enzyme and substrate solutions in assay buffer (0.02% TWEEN-20 in 50 mM Tris, pH 7.5/250 mM sucrose/1 mg/mL BSA/10 mM EDTA). Add diluted compound (1 &#956;L) to each well of row A to N of a corresponding low protein binding 384 well plate. Add human GOAT substrate mix (10 &#956;L), consisting of human desacyl-ghrelin-biotin (CPC Scientific Inc., 6.0 &#956;M final), octanoyl-coenzyme A (CoA) (Sigma, 60 &#956;M final) and an AG specific antibody (WO 2006/091381)(1.0 fig/mL final), to the compounds. Add GOAT-His/sf9 enzyme preparation, that has been prepared in assay buffer (9 &#956;L), to each well of the plate containing substrate and test compounds resulting in a final concentration of 0.01 &#956;g/mL to initiate the reaction. Incubate the mixture for 1 hour at RT on a gently rotating oscillator. Add 4M guanidine hydrochloride (20 &#956;L) to all wells, mix, and incubate for 3 hours to stop the reaction. Prepare ELISA plates (STREPTAVIDIN SPECTRAPLATE 384, Perkin Elmer) by blocking with 2% Heat-Inactivated FBS in PBS (40 &#956;L) (Invitrogen) blocking buffer for 3 hours. Aspirate the blocking buffer from ELISA plate and add blocking buffer (23 &#956;L) to columns 1-24, rows A-N. Reserve rows O and P for the acylghrelin standard curve. Add the reaction mix (2 &#956;L) to the ELISA plates. Prepare a 10 point standard curve (biotin-labeled octanoyl-ghrelin) by serial 2× dilution in blocking buffer containing 0.2M Guanidine hydrochloride starting at 2.5 pM. Incubate the reaction mixture or biotin-labeled AG standard in the ELISA plate overnight at 4° C. The following day, wash the plate 3× with wash buffer (0.1% TWEEN-20/PBS, 100 &#956;L per well in each wash cycle). Add AG specific antibody (WO 2006/091381) (25 &#956;L of 0.5 &#956;g/mL in blocking buffer) to each well and incubate at RT for 1 hour. Wash the plate 3× with the wash buffer, similarly to the previous step. Add Protein G-HRP (25 &#956;L)(Southern Biotech) diluted 3,000× in blocking buffer and incubate 1 hour at RT. Wash the late 3× with wash buffer, as in the previous steps. Add TMB reagent (25 &#956;L) (Kirkegaard & Perry Laboratories, Inc.) to each well and let develop for 20 min and stop with 1M phosphoric acid (25 &#956;L per well). Read plates at 450 nm using an ENVISION Multilabel plate reader. AG levels are calculated versus a fitted standard curve and percent inhibition calculated. The 10-point inhibition curve is plotted and fitted with the four-parameter logistic equation to obtain IC50 values using ACTIVITYBASE (ver. 7.3.2.1). Following a protocol essentially as described above, all of the compounds of the Examples herein were tested and exhibited an IC50 for the in vitro cell free human GOAT enzymatic assay of lower than 1 &#956;M.
749	1	Human D1 Receptor Binding Assay	The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., "Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists", Molecular Pharmacology 68(4):1039-1048 (2005). This radioligand binding assay used [3H]-SCH23390, a radiolabeled D1 ligand, to evaluate the ability of a test compound to compete with the radioligand when binding to a D1 receptor. D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000xg for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). Membrane bound [3H]-SCH23390 levels were determined by liquid scintillation counting of the filterplates in Ecolume. The IC50 value (concentration at which 50% inhibition of specific binding occurs) was calculated by linear regression of the concentration-response data in Microsoft Excel. Ki values were calculated according to the Cheng-Prusoff equation:K i = IC 50 1 + ( [ L ] / K d )where [L]=concentration of free radioligand and Kd=dissociation constant of radioligand for D1 receptor (1.3 nM for [3H]-SCH23390).
750	1	xanthine oxidase activity	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
750	2	URAT1 activity	URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was used as the test transport agent, which was measured in a liquid scintillation counter, using benzbromarone as a positive control, and DMSO and non-transfected CHO cells as negative controls (Solvo Biotechnology, Boston, Mass.). Generally determined over 7 concentrations (range, 0.01 to 150 &#956;M), a semi-log plot (percent relative transport of oratate vs. time) was generated to determine the concentration at which 50% inhibition was observed (i.e., the IC50).
751	1	MNK2a In Vitro Kinase Assay (Assay 2)	ASSAY SETUP: The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from PerkinElmer. The ADP-Glo Kinase Assay (including ultra pure ATP) was purchased from Promega (V9103). Activated MNK2a was obtained as described in WO2011/104340. The unlabeled eIF4E peptide (NH2-TATKSGSTTKNR-CONH2), differing from Seq. ID No. 5 of WO 2011/104340 by the C-terminal CONH2 group, was purchased from Thermo Fisher Scientific. All other materials were of highest grade commercially available. Compounds are tested in either serial dilutions or single dose concentrations. The compound stock solutions are 10 mM in 100% DMSO The serial compound dilutions are prepared in 100% DMSO followed by 1:27.3 intermediate dilution in assay buffer. The final DMSO concentration in assay will be <3%.In the 384-well plates 3 &#956;l of test compound from the intermediate dilutionis mixed with 4 &#956;l of the activated MNK2 enzyme (final concentration of 10 nM) and 4 &#956;l of the peptide (final concentration of 25 &#956;M)/ultra pure ATP (final concentration of 20 &#956;M), all dissolved in assay buffer. This step is followed by an incubation time of 90 min, then 10 &#956;l of ADP Glo reagent are added, followed by 40 min of incubation. Then 20 &#956;l of kinase detection reagent are admixed. The plates are sealed and after an incubation period of 30 min, the luminescence signal is measured in an Envision reader to determine the amount of produced ADP. All incubation steps are performed at room temperature.The assay buffer consists of 20 mM HEPES, 2 mM DTT, 0.01% BSA, 20 mM MgCl2 and 0.1% Pluronic F-127.Each assay microtiter plate contains wells with vehicle controls instead of compound (1% DMSO in water) as reference for the high signal (100% CTL, high signal), and wells containing a potent MNK2 inhibitor (final 20 &#956;M, 1% DMSO) as reference for low signal (0% CTL, low signal).The luminescent signal generated is proportional to the ADP concentration produced and is correlated with activated MNK2 activity. The analysis of the data is performed by the calculation of the percentage of ATP consumption of activated MNK2 in the presence of the test compound compared to the consumption of ATP in the presence of activated MNK2 without compound. RLU(sample)&#8722;RLU(low control))*100/(RLU(high value)&#8722;RLU(low control)) [RLU=relative luminescence units]An inhibitor of the MNK2 enzyme will give values between 100% CTL (no inhibition) and 0% CTL (complete inhibition). Values of more than 100% CTL are normally related to compound/sample specific physico-chemical properties (e.g. solubility, light absorbance, fluorescence).IC50 values based on dose response curves are calculated with the AssayExplorer software.
751	2	MNK1 In Vitro Kinase Assay (Assay 3)	MNK1 Data can be obtained from the MNK1 Z&#8242;-LYTE assay. The MNK1 Z&#8242;-LYTE screening protocol and assay conditions are also described on www.invitrogen.com.
754	1	Human Complement Factor B TR-FRET Assay	CVF-Bb complex prepared from purified cobra venom factor (1 &#956;M), recombinant human complement factor B (expressed in drosophila cells and purified using standard methods) and human complement factor D (expressed in E. Coli, refolded and purified using standard methods). CVF-Bb complex at 3 nM concentration was incubated with test compound at various concentrations for 1 hour at room temperature in PBS pH 7.4 containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human complement C3 substrate purified from plasma was added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction was stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, was quantified by means of an enzyme-linked-immunosorbent assay. IC50 values were calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration.
756	1	Biological Activity Assay	The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK (amino acids 1-859) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The DLK fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).
757	1	IMAP TR-FRET assay	The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time. Into each well of a solid white 1536 well plate (Corning) was dispensed 250 pg full-length recombinant NH-terminal GST tagged human PDE1b enzyme (BPS Bioscience Cat #60011, San Diego, Calif.) in 2.5 &#956;L IMAP BSA reaction buffer (Molecular Devices, Sunnyvale, Calif.) containing 10 U/mL Calmodulin and 2.5 mM CaCl2 (Sigma Aldrich.) After a brief centrifugation, 30 nL compound was added by transfer from 1 mM stock in DMSO using a Kalypsys 1536 Pintool. Plates were incubated for 5 minutes at room temperature before dispensing 1.5 &#956;L of 533 nM 5-carboxy fluorescein (FAM)-labeled cAMP (Molecular Devices, Sunnyvale, Calif.) for a final concentration of 200 nM. After a brief centrifugation, the plates were incubated for 30 minutes at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent/Tb complex (Molecular Devices, Sunnyvale, Calif.) to each well. Plates were incubated 1 hour at room temperature and read on a Viewlux multimode plate reader (Perkin Elmer). The instrument was set to excite using the DUG11 filter and measure using 490/10 nm and 520/10 nm filters.
758	1	HBsAg Assay	HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution series of the compounds in DMSO. The final DMSO concentration in all wells was 1% and DMSO was used as no drug control. The HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2) was used to measure the levels of secreted HBV antigens semi-quantitatively. For the detection 50 &#956;L/well culture supernatant was used and HBsAg was quantified using HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2), 50 &#956;L of the supernatant was transferred to the CLIA assay plate and 50 &#956;L of enzyme conjugate reagent was added into each well. The plates were sealed and gently agitated for 1 hour at room temperature. The supernatant-enzyme-mixture was discarded and wells were washed 6 times with 300 &#956;L of PBS. The residual liquid was removed by plating the CLIA plate right side down on absorbent tissue paper. 25 &#956;L of substrates A and B were added to each well. Luminance was measured using a luminometer (Mithras LB 940 Multimode Microplate Reader) after 10 minutes incubation. Dose-response curves were generated and the IC50 value was extrapolated by using the E-WorkBook Suite (ID Business Solutions Ltd., Guildford, UK). The IC50 was defined as the compound concentration (or conditioned media log dilution) at which HBsAg secretion was reduced by 50% compared to the no drug control.
761	1	HBSAg ELISA assay	HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells were treated with 200 &#956;l/well of media containing five-fold serial dilutions of compounds in DMSO. DMSO alone was used as the no drug control. The final DMSO concentration in all wells was 0.5%. The HBsAg ELISA kit (Alpha Diagnostic International, San Antonio, Tex., USE, Catalog #4110) was used to determine the level (semi-quantitative) of secreted HBV sAg.
762	1	Factor XIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and he synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration&#8804;0.1 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. Initial velocities of product formation in the absence (Vo) or presence of inhibitor (Vi) were measured. Assuming competitive inhibition, and that unity is negligible compared Km/[S], [I]/e, and [I]/e (where [S], [I], and e respectively represent the total concentrations, of substrate, inhibitor and enzyme), the equilibrium constant (Ki) for dissociation of the inhibitor from the enzyme can be obtained from the dependence of Vo/Vi on [I] shown in the following equation. V o /V i=1+[I]/K iThe activities shown by this assay indicate that the compounds of the invention may be therapeutically useful for treating or preventing various cardiovascular and/or cerebrovascular thromboembolic conditions in patients suffering from unstable angina, acute coronary syndrome, refractory angina, myocardial infarction, transient ischemic attacks, atrial fibrillation, stroke such as thrombotic stroke or embolic stroke, venous thrombosis, coronary and cerebral arterial thrombosis, cerebral and pulmonary embolism, atherosclerosis, deep vein thrombosis, disseminated intravascular coagulation, and reocclusion or restenosis of recanalized vessels.
13137	1	In vitro inhibition on MAGL and FAAH activity	The inhibitory effect of the test chemicals on activity of human recombinant FAAH was also studied for their selectivity using commercial FAAH inhibitor screening kit (Cayman Chemical). In brief, FAAH hydrolyzes AMC arachidonoyl amide resulting in the release of the fluorescent product, while the inhibitor will inhibit the FAAH activity and thus reduce the fluorescent signal. The resulting fluorophore can be analyzed using an excitation wavelength of 340-360 nm and an emission wavelength of 450-465 nm by a plate reader (Synergy H1, BioTek). 
764	1	Pharmaceutical Effect Mean Inhibitory Effect	ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was determined for the compounds of examples 1-14.
767	1	In Vitro Enzyme Inhibition Assay	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number O60341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
769	1	Pim Kinase Binding Activity	PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO.PIM reactions were carried out in a final volume of 10 &#956;L per well in a 384-well plate. A standard enzymatic reaction, initiated by the addition of 5 &#956;L 2×ATP and test compound to 5 &#956;L of 2× enzyme and FAM-peptide, contained 20 &#956;M PIM1, 50 &#956;M PIM2, or 55 pM PIM3, 1 &#956;M FAM-peptide, and 10 &#956;M ATP, in Reaction Buffer. After 90 minutes of incubation at room temperature, the phosphorylation reaction was stopped by the addition of 10 &#956;L Termination Buffer. The product and substrate in each independent reaction were separated on a 12-sipper microfluidic chip (Caliper Life Sciences, Hopkinton, Mass.) run on a Caliper LC3000 (Caliper Life Sciences, Hopkinton, Mass.). The separation of product and substrate was optimized by choosing voltages and pressure using Caliper&#39;s Optimizer software (Hopkinton, Mass.). The separation conditions used a downstream voltage of &#8722;500V, an upstream voltage of &#8722;2150V, and a screening pressure of &#8722;1.2 psi. The product and substrate fluorophore were excited at 488 nm and detected at 530 nm. 
772	1	Enzymatic Assay	The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of the enzyme to cleave the peptide bond of arginyl-aminomethylcoumarin (Arg-AMC). LTA4H Enzyme (1 nM final), Arg-AMC substrate (50 &#956;M final), and compound are combined in a reaction buffer (50 mM Tris-HCl (pH 7.5), 100 mM KCl, 0.5% bovine serum albumin) at room temperature for 1 h. The formation of product is assessed by measuring the fluorescence of aminomethylcoumarin product (excitation wavelength 380 nm/emission wavelength 460 nm).
773	1	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37° C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066) for approximately 6 min at 37° C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4. Electrical access to the cytoplasm was achieved by perforation in 0.13 mg/mL amphotericin B for 4 min. Amphotericin B (Sigma A-4888) was prepared as a 40 mg/mL solution in DMSO. Voltage protocols and current recordings were performed using the IonWorks HT software/hardware system. Currents were sampled at 1 kHz. No correction for liquid junction potentials was used. The test pulse, consisting of a 100 ms step to 0 mV from a holding potential of &#8722;70 mV, followed by a 100 ms voltage ramp from &#8722;70 mV to +70 mV, was applied before and after a 6 min compound incubation period. Test compounds were prepared by diluting DMSO stock solutions into the bath solution at 3× the final concentration and placed in the instrument in 96-well polypropylene plates.
774	1	GTP &#947;35S Binding Assay	The S1P1 activity of the compounds according to the invention, were tested using the GTP &#947;35S binding assay. The compounds were assessed for their ability to activate or block activation of the human S1P1 receptor in cells stably expressing the S1P1 receptor. Some of the results are presented in Table 3.GTP &#947;35S binding was measured in the medium containing (mM) HEPES 25, pH 7.4, MgCl2 10, NaCl 100, dithiothreitol 0.5, digitonin 0.003%, 0.2 nM GTP &#947;35S, and 5 &#956;g membrane protein in a volume of 150 &#956;l. Test compounds were included in the concentration range from 0.08 to 5,000 nM unless indicated otherwise. Membranes were incubated with 100 &#956;M 5&#8242;-adenylylimidodiphosphate for 30 min, and subsequently with 10 &#956;M GDP for 10 min on ice. Drug solutions and membrane were mixed, and then reactions were initiated by adding GTP &#947;35S and continued for 30 min at 25° C. Reaction mixtures were filtered over Whatman GF/B filters under vacuum, and washed three times with 3 mL of ice-cold buffer (HEPES 25, pH7.4, MgCl2 10 and NaCl 100). Filters were dried and mixed with scintillant, and counted for 35S activity using a 8-counter.
775	1	Radioligand Binding Assay	compounds were performed with [3H]NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a concentration of 400 &#956;M in dilution buffer and then serially diluted 5× with dilution buffer to final concentrations ranging from 10 pM to 100 &#956;M. The order of addition and volumes added to the assay plates were as follows: 25 &#956;L radioligand, 25 &#956;L diluted test compound, and 50 &#956;L membranes. Assay plates were incubated for 6 hours at 37° C. Binding reactions were terminated by rapid filtration over GF/B glass fiber filter plates (PerkinElmer, Inc.) pre-treated in 1% BSA. Filter plates were rinsed three times with wash buffer (10 mM HEPES) to remove unbound radioactivity. The plates were then air-dried and 50 &#956;L Microscint-20 liquid scintillation fluid. (PerkinElmer, Inc.) were added to each well. The plates were then counted in a PerkinElmer Topcount liquid scintillation counter (PerkinElmer, Inc.).Binding data were analyzed by nonlinear regression analysis with the GraphPad Prism Software package (GraphPad Software, Inc., San Diego, Calif.) using the one-site competition model. Ki values for test compounds 
776	1	Caliper-based kinase assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula (I). Serial dilutions of test compounds were incubated with human recombinant Btk (2 nM), ATP (40 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). 
777	1	Enzymatic Activity Assay	The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separation of a phosphorylated peptide substrate from unphosphorylated peptide. The enzymatic reaction occurred in a buffer of 100 mM HEPES pH 7.5, 5 mM MgCl2, 0.01% Triton-X 100, 0.1% Bovine Serum Albumin, and 1% DMSO. Three-fold dilutions of compounds were prepared in DMSO. Compounds were added to enzyme and pre-incubated for 15 minutes prior to reaction. The enzymatic reaction was initiated by addition of phospho-acceptor peptide FAM-GEEPLYWSFPAKKK-NH2 (also known as SRCtide) to 1 uM and ATP to its Km value (ITK: 10 uM). The reaction proceeded for 3 hours and was terminated by addition of EDTA. The assay employed an enzyme concentration of 1 nM. The top compound concentration was 5 uM. The amount of phosphorylated substrate was determined by the Caliper instrumentation, and dose-response curves were fit using standard methods to determine the IC50 values.
778	1	Biacore Assay	The test compounds were dissolved in 1% acetic acid and further complemented with an equal volume of DMSO. The resulting stock solutions were serially diluted in 0.5% acetic acid/50% DMSO. 1 &#956;L aliquots of these solutions were placed into 384 well microplates (Greiner, black, transparent bottom), followed by 30 &#956;L of diluted human citrated plasma (platelet-poor, final concentration: 5%; supplemented with fibrinogen, final concentration: 3 &#956;M; dilution buffer: 20 mM HEPES, 150 mM NaCl, 0.01% Brij (pH 7)). The reactions were started by addition of 20 L of CaCl2 (final concentration: 10 mM), and tPA (tissue plasminogen activator, final concentration: 0.2 nM) in dilution buffer, followed by an additional volume of 20 &#956;L dilution buffer for improved mixing. The reactions were incubated at 37° C. Clot formation and degradation was monitored spectrophotometrically by kinetic optical density measurements at 405 nm.
779	1	Wild-Type and Mutant PRC2 Enzyme Assays	General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (BSG) were purchased from Sigma-Aldrich at the highest level of purity possible. Dithiothreitol (DTT) was purchased from EMD. 3H-SAM was purchased from American Radiolabeled Chemicals with a specific activity of 80 Ci/mmol. 384-well streptavidin Flashplates were purchased from PerkinElmer.
779	2	Assessment of CYP Inhibition	The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microsomes.
781	1	Inhibition Assay of BTK Kinase Activity	The enzyme reaction mixture of BTK wild type standard HTRF assay contained 1 nM BTK wild type, 1 &#956;M biotin-TK1 peptide, and 30 &#956;M ATP in a buffer. The enzyme reaction were carried out at room temperature for 60 minutes. 5 &#956;l of 0.2 M EDTA were added to quench the reaction and then the inhibitors (5 &#956;l) were added at final concentrations of 2 nM antibody and 62.5 nM XL665. The plates were incubated at room temperature for 60 minutes and then read in the Envision plate reader. The readouts were transformed into inhibition rate % by the equation of (Min Ratio)/(Max-Min)*100%. Hence the IC50 data of test compounds were generated by using four parameters curve fitting.
782	1	Inhibition Assay of Arginase	Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The compound to be tested was dissolved in DMSO at an initial concentration 50-fold greater than its final concentration in the cuvette. 10 &#956;l of the stock solution was diluted in 90 &#956;l of the assay buffer that comprises 0.1M sodium phosphate buffer containing 130 mM NaCl, pH 7.4, to which is added ovalbumin (OVA) at a concentration of 1 mg/ml. Solutions of arginase I and II were prepared in 100 mM sodium phosphate buffer, pH 7.4 containing 1 mg/ml of OVA to give an arginase stock solution at a final concentration of 100 ng/ml. To each well of a 96-well microtiter plate was added 40 &#956;l of enzyme, 10 &#956;l of an inventive compound and 10 &#956;l of enzyme substrate (L-arginine+manganese sulfate). For wells that were used as positive controls, only the enzyme and its substrate were added, while wells used as negative controls contained only manganese sulfate. After incubating the microtiter plate at 37° C. for 60 minutes, 150 &#956;l of a urea reagent obtained by combining equal proportions (1:1) of reagents A and B is added to each well of the microtiter plate to stop the reaction. The urea reagent is made just before use by combining Reagent A (10 mM o-phthaldialdehyde, and 0.4% polyoxyethylene (23) lauryl ether (w/v) in 1.8 M sulfuric acid) with Reagent B (1.3 mM primaquine diphosphate, 0.4% polyoxyethylene (23) lauryl ether (w/v), 130 mM boric acid in 3.6 mM sulfuric acid). After quenching the reaction mixture, the microtiter plate is allowed to stand for an additional 10 minutes at room temperature to allow the color to develop. The inhibition of arginase was computed by measuring the optical density (OD) of the reaction mixture at 530 nm and normalizing the OD value to percent inhibition observed in the control. The normalized OD is then used to generate a dose-response curve by plotting the normalized OD values against log [concentration] and using regression analysis to compute the IC50 values.
783	1	mGlu Receptor In Vitro Assays	Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (GIRK) channels were grown in Growth Media containing 45% DMEM, 45% F-12, 10% FBS, 20 mM HEPES, 2 mM L-glutamine, antibiotic/antimycotic, non-essential amino acids, 700 &#956;g/ml G418, and 0.6 &#956;g/ml puromycin at 37° C. in the presence of 5% CO2. Cells expressing rat mGlui and mGlu5 receptor were cultured as described in Hemstapat et al (Mol. Pharmacol. 2006, 70, 616-626). All cell culture reagents were purchased from Invitrogen Corp. (Carlsbad, Calif.) unless otherwise noted. Calcium assays were used to assess activity of compounds at mGlu1 and mGlu5, as previously described in Engers et al (J. Med. Chem. 2009, 52, 4115-4118). Calcium assays at mGlu3 were performed as described for mGlu5 with the exception that TREx293 mGlu3 G&#945;15 cells were treated with tetracycline at 20 ng/mL for 20 h prior to assay.Compound activity at the group II (mGlu2 and mGlu3) and group III (mGlu4, mGlu6, mGlu7, and mGlu8) was assessed using thallium flux through GIRK channels, a method that has been described in detail. Briefly, cells were plated into 384-well, black-walled, clear-bottomed poly-D-lysine-coated plates at a density of 15,000 cells/20 &#956;L/well in DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 100 units/mL penicillin/streptomycin (assay media). Plated cells were incubated overnight at 37° C. in the presence of 5% CO2. The following day, the medium was exchanged from the cells to assay buffer [Hanks&#39; balanced salt solution (Invitrogen) containing 20 mM HEPES, pH 7.3] using an FLX405 microplate washer (BioTek), leaving 20 &#956;L/well, followed by the addition of 20 &#956;L/well FluoZin2-AM (330 nM final concentration) indicator dye (Invitrogen; prepared as a stock in DMSO and mixed in a 1:1 ratio with Pluronic acid F-127) in assay buffer. Cells were incubated for 1 h at room temperature, and the dye exchanged to assay buffer using an ELX405, leaving 20 &#956;L/well. Test compounds were diluted to 2 times their final desired concentration in assay buffer (0.3% DMSO final concentration). Agonists were diluted in thallium buffer [125 mM sodium bicarbonate (added fresh the morning of the experiment), 1 mM magnesium sulfate, 1.8 mM calcium sulfate, 5 mM glucose, 12 mM thallium sulfate, and 10 mM HEPES, pH 7.3] at 5 times the final concentration to be assayed. Cell plates and compound plates were loaded onto a kinetic imaging plate reader (FDSS 6000 or 7000; Hamamatsu Corporation, Bridgewater, N.J.). Appropriate baseline readings were taken (10 images at 1 Hz; excitation, 470±20 nm; emission, 540±30 nm) and test compounds were added in a 20 &#956;L volume and incubated for approximately 2.5 min before the addition of 10 &#956;L of thallium buffer with or without agonist. After the addition of agonist, data were collected for approximately an additional 2.5 min. Data were analyzed using Excel (Microsoft Corp, Redmond, Wash.). The slope of the fluorescence increase beginning 5 s after thallium/agonist addition and ending 15 s after thallium/agonist addition was calculated, corrected to vehicle and maximal agonist control slope values, and plotted in using either XLfit (ID Business Solutions Ltd) or Prism software (GraphPad Software, San Diego, Calif.) to generate concentration-response curves. Potencies were calculated from fits using a four-point parameter logistic equation. For concentration-response curve experiments, compounds were serially diluted 1:3 into 10 point concentration response curves and were transferred to daughter plates using an Echo acoustic plate reformatter (Labcyte, Sunnyvale, Calif.).
785	1	hURAT1 Inhibition Assay	Human embryonic kidney cells (HEK293) was incubated in DMEM tissue culture medium, at 37° C., under 5% CO2 and 95% air atmosphere. TransIT-293 transfection agent (MIRUS BIO, Cat. No. MIR2706) and model URAT1 were used to construct transfected HEK293 cells. Transfected HEK293/hURAT1 cells were used to the test for 14C-uric acid transport activity. HEK293/hURAT1 cells were seeded in a 96-well plate (BD, Cat. No. 356461) fully coating with poly-D-lysine at a density of 6×104 cells per well. Cells were incubated at 37° C. for at least 12 hrs in the calorstat, and then washed with pre-heated washing buffer (125 mM sodium gluconate, 10 mM HEPES pH=7.4) at an amount of 200 &#956;L per well to wash out the culture medium. The uric acid [8-14C] (ARC, Cat. No. ARC0513-250UCI) containing or not containing the compound was added to 50 &#956;L HBSS buffer which was free of chloric ion each well (HBSS buffer: 125 mM sodium gluconate, 4.8 mM potassium gluconate, 1.3 mM calcium gluconate, 1.2 mM potassium dihydrogen phosphate, 1.2 mM magnesium sulfate, 5.6 mM glucose, 25 mM HEPES pH=7.4) to make the specific concentration of the uric acid 1 &#956;Ci per well. The incubating solution was removed after 10 mins incubation, followed by adding 100 &#956;L cold washing buffer, after washing with this buffer for 3 times, the buffer was completely removed from the well. 50 &#956;L Lysis buffer (0.1 mM NaOH) was added to each well, and transferred to a 96-well plate (PERKIN ELMER, Cat. No. 6005040) containing scintillation fluid after 5 mins, and counted by MicroBeta Trilux (PerkinElmer) to give IC50 value eventually.
786	1	In Vitro LPA1 Receptor Assay	Engagement of the LPA1 receptor by its ligand, oleoyl-L-&#945;-lysophosphatidic acid (LPA), leads to the release of intracellular stores of calcium into the cytoplasm mediated through a Gq-driven increase in inositol triphosphate (IP3) levels. Gq is a heterotrimeric G protein subunit that activates phospholipase C.The ability of test compounds to prevent LPA-driven intracellular release of stored calcium from RH7777 cells expressing human LPA1 receptors was assayed by stimulating the cells with LPA in the presence of various test compounds to measure the test compounds&#39; antagonism, i.e. activity in vitro. Approximately 10,000 cells in normal culture medium (Dulbecco&#39;s Modified Eagle Media, 10% Foetal Calf Serum) were dispensed per assay well in a black clear bottom collagen coated 384 well plate (Beckton Dickinson). Cells were allowed to settle for thirty minutes at room temperature before being incubated overnight at 37° C., 5% CO2. Sixteen to twenty hours after dispensing, the cells were loaded with a calcium-sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH7.4) containing 1.25 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells were incubated at 37° C. for one hour to allow for dye uptake. To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) were added to the assay wells and allowed to incubate for twenty five minutes. After incubation with test compounds the assay plate was placed in a FLIPR Tetra system (Molecular Devices) and LPA (diluted in assay buffer) was added to give a final concentration equivalent to its determined EC80 against LPA1 receptor. Ligand-dependent changes in intracellular calcium levels were determined by measuring changes in fluorescence of the dye over 515-575 nM following excitation over 470-495 nM.
790	1	In Vitro Assay	Potency of candidate molecules for inhibiting syk tyrosine phosphorylation activity is assessed by measuring the ability of a test compound to inhibit syk-mediated tyrosine phosphorylation of a syk-specific substrate.SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). LANCE refers to homogeneous time resolved fluorometry applications using techniques such as time-resolved fluorescence resonance energy transfer assay (TR-FRET) (see generally for procedures in Perkin Elmer Application Note How to Optimize a Tyrosine Kinase Assay Using Time Resolved Fluorescence-Based LANCE Detection, wwww.perkinelmer.com/lifesciences). The assay principle involves detection of a phosphorylated substrate using energy transfer from a phosphospecific europium-labeled antibody to streptavidin-allophycocyanin as an acceptor.To test the ability of candidate molecules to inhibit SYK tyrosine phosphorylation activity, molecules are reconstituted in 30% DMSO and serially diluted 1:3 with the final dilution containing DMSO in the absence of the candidate molecule. The final DMSO concentration in the assay is 3%. Kinase assays are performed as a two part reaction. The first reaction is a kinase reaction and which comprises of a candidate molecule, full length active recombinant SYK enzyme (Millipore, Calif.) and biotin-labeled SYK-specific substrate biotin-DEEDYESP-OH. The second reaction involves termination of the kinase reaction and the simultaneous addition of the detection reagents-europium-labeled anti-phosphotyrosine reagent (Eu-W1024-PY100, Perkin Elmer, Boston, Mass.) and Streptavidin-Allophycocyanin detection reagent (SA-APC, Prozyme, Calif.). The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 &#956;L and contains a final concentration of 1 nM active SYK enzyme, 550 nM SYK-substrate, and 100 &#956;M ATP diluted in a buffer containing 50 mM Tris pH 7.5, 5 mM MgCl2, and 1 mM DTT. The reaction is allowed to proceed for 1 hour at room temperature. The quench buffer contains 100 mM Tris pH 7.5, 300 mM NaCl2, 20 mM EDTA, 0.02% Brij35, and 0.5% BSA. The detection reagents are added to the reaction mixture at the following dilutions 1:500 for Eu-W1024-PY100 and 1:250 for SA-APC. The kinase reaction is terminated by the addition of 50 &#956;L quench buffer containing the detection reagents. The detection is allowed to proceed for 1 hr at room temperature. Detection of the phosphorlated substrate in the absence and presence of inhibitors is measured in the TR-FRET instrument, Analyst HT (Molecular Probes, Sunnyvale, Calif.) and the condition for measurements are set up using CriterionHost Release 2.0 (Molecular Probes, Sunnyvale, Calif.). The settings used are a follows: excitation 360 nm, emission 665-7.5 nm, beam splitter 350 nm 50/50, flash 100 pulses, delay 60 us, integration 400 us, z-height 2 mm. Inhibition of SYK-tyrosine kinase activity is calculated as the maximum response observed in the presence of inhibitor, compared to that in the absence of inhibitor. IC50s were derived by non-linear regression analysis.
791	1	Enzyme Inhibition Selectivity Assay	Human PDE1A, 3A, 4D2, 5A1, 7B, 8A1, 9A2, and 11A4 enzymes were purchased from BPS Bioscience. Human PDE6AB enzyme was purchased from Scottish Biomedical. Human PDE2A3 was generated from Sf9 transfected with the full-length gene in house. PDE activities were measured using a SPA (Scintillation Proximity Assay) (PerkinElmer). To evaluate the inhibitory activity, 10 &#956;L of serial diluted compounds were incubated with 20 &#956;L of PDE enzyme in assay buffer (50 mM HEPES-NaOH, 8.3 mM MgCl2, 1.7 mM EGTA, 0.1% BSA (pH 7.4)) for 30 min. at room temperature. Final concentration of DMSO in the assay was 1% as compounds were tested in duplicate in 96-well half-area plates (Corning). To start the reaction, 10 &#956;L of substrate [3H] cGMP (PerkinElmer) for PDE1A, 2A3, 5A1, 6AB, 9A2, and 11A4 or [3H] cAMP (PerkinElmer) for PDE3A, 4D2, 7B, and 8A1 was added for a final assay volume of 40 &#956;L. After 60 min incubation at room temperature, yttrium SPA beads containing zinc sulphate were added (20 &#956;L at 6 mg/mL) to terminate the PDE reaction. After being settled for 60 min., assay plates were counted in a scintillation counter (PerkinElmer) to allow calculation of inhibition rate. IC50 values were calculated on the basis of 0% control wells with DMSO and 100% control wells without enzyme.
792	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves.
792	2	BACE-2 Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. 
793	1	Fluorescence Assay	IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells expressing human TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using the FDSS while monitoring fluorescence to determine whether any of the test compounds have TRPA1 agonist activity. Plates were then incubated with compound for 20 minutes at room temperature prior to adding agonist. Following this incubation, 100 mM cinnamaldehyde was added to all wells of the plate and block of this cinnamaldehyde induced calcium influx was measured.
795	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA,) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
796	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
797	1	BTK Inhibitory Activity	With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, it is described in the consumable reagent supplies price list for LabChip (registered trademark) series of PerkinElmer, Inc. that FL-PEPTIDE 2 corresponds to a substrate peptide for the measurement of BTK kinase activity. Therefore, FL-PEPTIDE 2 was used as a substrate. The purified recombinant human BTK protein used in the test was purchased from Carna Biosciences, Inc.With regard to the measurement of the inhibitory activity of the compounds, firstly, the compounds of the present invention were diluted stepwise with dimethyl sulfoxide (DMSO). Subsequently, BTK protein, a substrate peptide (final concentration was 1 &#956;M), magnesium chloride (final concentration was 10 mM), ATP (final concentration was 45 &#956;M), and a DMSO solution of the compounds of the present invention (final concentration of DMSO was 5%) were added to a buffer solution for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiotheitol, 0.01% Triton X-100), and after the solution was incubated for 40 minutes at 25° C., a kinase reaction was carried out. The reaction was terminated by adding EDTA thereto in order to obtain a final concentration of 30 mM. Finally, a substrate peptide that was not phosphorylated (S) and a phosphorylated peptide (P) were separated and detected by microchannel capillary electrophoresis using a LabChip EZ Reader II (PerkinElmer, Inc.). The amounts of phosphorylation reaction were determined from the respective peak heights of S and P, and the compound concentration at which the phosphorylation reaction could be suppressed in 50% was defined as the IC50 value (nM).
797	2	EGFR Inhibitory Activity	With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, it is described in the consumable reagent supplies price list for LabChip (registered trademark) series of PerkinElmer, Inc. that FL-PEPTIDE 22 corresponds to a substrate peptide for the measurement of EGFR kinase activity. Therefore, a biotinated peptide (biotin-EEPLYWSFPAKKK) was produced by referring to the amino acid sequence of the peptide. The purified recombinant human EGFR protein used in the test was purchased from Carna Biosciences, Inc.With regard to the measurement of the inhibitory activity of the compounds, firstly, the compounds of the present invention were diluted stepwise with dimethyl sulfoxide (DMSO). Subsequently, EGFR protein, a substrate peptide (final concentration was 250 nM), magnesium chloride (final concentration was 10 mM), manganese chloride (final concentration was 10 mM), ATP (final concentration was 1.5 &#956;M), and a DMSO solution of the compound of the present invention (final concentration of DMSO was 2.5%) were added to a buffer solution for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiotheitol, 0.01% Triton X-100), and after the solution was incubated for 120 minutes at 25° C., a kinase reaction was carried out. The reaction was terminated by adding EDTA thereto in order to obtain a final concentration of 24 mM. Subsequently, a detection liquid containing Eu-labeled anti-phosphorylated tyrosine antibody PT66 (PerkinElmer, Inc.) and SURELIGHT APC-SA (PerkinElmer, Inc.) was added thereto, and the system was left to stand for 2 hours or longer at room temperature. Finally, the amount of fluorescence upon irradiation of excitation light having a wavelength of 337 nm was measured at two wavelengths of 620 nm and 665 nm, using a PHERAstar FS (BMG Labtech GmbH). The amount of phosphorylation reaction was determined from the ratio of the amounts of fluorescence at the two wavelengths, and the compound concentration at which the phosphorylation reaction could be suppressed in 50% was defined as the IC50 value (nM).
799	1	Biochemical Assay	PI3K Isoform using biochemical assay.
800	1	Biological Assay	All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 46 (2006) 321-331). In addition, secondary- and selectivity assays were performed using SSAO prepared from various tissues or purified rat recombinant SSAO. The enzyme activity was assayed with benzylamine as substrate by measuring either benzaldehyde production, using 14C-labeled substrate, or by utilizing the production of hydrogen peroxide in a horseradish peroxidase (HRP) coupled reaction. Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration &#8806;2%.
800	2	hERG Assay	Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophysiology. 8 Point concentration-response curves were generated on two occasions using 3-fold serial dilutions from the maximum assay concentration (11 uM). Electrophysiological recordings were made from a Chinese Hamster Lung cell line stably expressing the full length hERG channel. Single cell ion currents were measured in the perforated patch clamp configuration (100 ug/mL amphoterocin) at room temperature using an IonWorks Quattro instrument. The internal solution contained 140 mM KCl, 1 mM MgCl2, 1 mM EGTA and 20 mM HEPES and was buffered to pH 7.3. The external solution contained 138 mM NaCl, 2.7 mM KCl, 0.9 mM CaCl2, 0.5 mM MgCl2, 8 mM Na2HPO4 and 1.5 mM KH2PO4, and was buffered to pH 7.3. Cells were clamped at a holding potential of 70 mV for 30 s and then stepped to +40 mV for 1 s. This was followed by a hyperpolarising step of 1 s to 30 mV to evoke the hERG tail current. This sequence was repeated 5 times at a frequency of 0.25 Hz. Currents were measured from the tail step at the 5th pulse, and referenced to the holding current. Compounds were incubated for 6-7 min prior to a second measurement of the hERG signal using an identical pulse train. 
802	1	Enzyme Assay	The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compounds described by embodiments of the present invention were assayed using this protocol and the data from the same is recorded in Table 2 within the column labeled: Time Dependent BTK Enzyme Assay IC50. These IC50 values are reported in ranges wherein: A<100 nM, B<1 uM, and C>1 uM.2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM Hepes, pH 7.5, and 10 mM DTT.5 uL of enzyme buffer and 7.5 uL of ATP/kinKDR peptide substrate mix were added to Matrix (#115304) 384-well, sterile, polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 27 C. Following the incubation period, reactions were stopped by adding 60 uL stop buffer consisting of 100 mM Hepes, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (Caliper Life Sciences, Mountain View, Calif.), 5% DMSO. Stopped reactions were monitored at &#8722;2 PSI, &#8722;3000 V/&#8722;700 V in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, Mass.), and the activity was measured by off-chip mobility shift assay measuring the charge/mass difference between substrate and product resulting from peptide phosphorylation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel, Switzerland). Compounds described by embodiments of the present invention were assayed using this protocol and the data from the same is recorded in Table 2 within the column labeled: Time Dependent PBMC BTK Enzyme Assay IC50.
803	1	AlphaScreen	To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of twelve concentrations. Then compounds at each concentration (75 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. 8 uL of solutions containing 30 nM EED (1-441)-His protein and 15 nM biotin-H3K27Me3 (19-33) peptide in the buffer (25 mM HEPES, pH 8, 0.02% Tween-20, 0.5% BSA) were added to the wells and then incubated with compound for 20 min. AlphaScreen detection beads mix was prepared immediately before use by mixing nickel chelate acceptor beads and streptavidin donor beads in a 1:1 ratio (Perkin Elmer, Product No. 6760619C/M/R) into the buffer described above. Then 4 &#956;L of detection beads mix was added to the plate and incubate in the dark at the rt for 1 h. The final concentration of donor and acceptor beads was 10 &#956;g/mL for each. Plates were read on EnVision (PerkinElmer) using the AlphaScreen setting adapted for optimal signal detection with a 615 nm filter, after sample excitation at 680 nm. The emission signal at 615 nm was used to quantify compounds inhibition. AlphaScreen signals were normalized based on the reading coming from the positive (maximum signal control) and negative controls (minimum signal control) to give percentage of activities left. The data were then fit to a dose response equation using the program Helios (Novartis) to get the IC50 values
803	2	LC-MS Assay	Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrations. Then the test compounds at each concentration (120 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. Solutions (6 &#956;L) of 24 nM the wild type PRC2 (wtPRC2) complex and 2 &#956;M SAM in reaction buffer (20 mM Tris, pH 8.0, 0.1% BSA, 0.01% Triton, 0.5 mM DTT) were added to the wells that were then incubated with the test compound for 20 min. A 6 &#956;L solution of 3 &#956;M of the peptide substrate H3K27Me0 (histone H3[21-44]-biotin) in reaction buffer was added to initiate each reaction. The final components in the reaction solution include 12 nM wtPRC2 complex, 1 &#956;M SAM, and 1.5 &#956;M H3K27me0 peptide with varying concentration of the compounds. A positive control consisted of the enzyme, 1 &#956;M SAM and 1.5 &#956;M substrate in the absence of the test compound, and a negative control consisted of 1 &#956;M SAM and 1.5 &#956;M substrate only. Each reaction was incubated at rt for 120 min, then stopped by addition of 3 &#956;L per of quench solution (2.5% TFA with 320 nM d4-SAH). The reaction mixture was centrifuged (Eppendorf centrifuge 5810, Rotor A-4-62) for 2 min at 2000 rpm and read on an API 4000 triple quadrupole mass spec with Turbulon Spray (Applied Biosystem) coupled with Prominence UFLC (Shimadzu). The levels of SAH production were then normalized based on the values coming from the positive and negative controls to give percent enzyme activities. 
803	3	ELISA Assay	Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 &#956;L per well with PBS. The plate was sealed, centrifuged at 2,000 rpm for 2 min and incubated at 4° C. for about 16 h. The plate was washed with TBST buffer (1×TBS (10×TBS: 24.2 g Tris (Sigma, T6066), 80 g NaCl (Sigma, S3014) to 1 L of water and adjust pH to 7.6 with HCl) with 0.1% Tween-20). Blocking buffer (TBST, 5% BSA; 50 &#956;L per well) was added and the plate was incubated for 1 h at rt. The blocking buffer was removed and primary antibody was added (30 &#956;L per well). The following dilutions were performed with blocking buffer: for anti-H3K27me3 antibody (Cell Signaling Technology, #9733), dilution was 1:1000; for anti-H3K27me2 antibody (Cell Signaling Technology, #9288), dilution was 1:100; for anti-H3 antibody (Abcam, Cat#24834), dilution was 1:1000. The primary antibody was incubated in the plate at rt for 1 h. The wells were washed with TBST and incubated with secondary antibody for 1 h at rt. For secondary antibodies, the following dilutions were carried out with blocking buffer: anti-rabbit antibody (Jackson ImmunoResearch, #111-035-003), dilution was 1:2000; and anti-mouse antibody (Cell signaling technology, #7076), dilution was 1:1000. After 1 h of incubation at rt, the wells were washed with TBST. ECL substrate (Pierce, #34080) was added at 30 &#956;L per well and the plates were centrifuged at 2,000 rpm for 2 min. The signal was read using a PerkinElmer Envision Reader. The H3K27 methylation readouts were normalized using H3 signal and then percentage inhibition was calculated against the samples treated with DMSO.
804	1	Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity	The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymphoma kinase (ALK) activity at enzyme level. To measure the activity to inhibit ALK, each of the compounds prepared in examples listed in table 2 (2 &#956;l) was loaded in a 384 well plate. Then, each of the compounds was mixed with anaplastic lymphoma kinase (ALK) enzyme (1 &#956;l) and biotin conjugated peptide substrate (2 &#956;l), followed by culture for 15 minutes. ATP solution (5 &#956;l) was added thereto, followed by kinase reaction at room temperature for 30 minutes. Streptavidin conjugated XL 665 (5 &#956;l) dissolved in ethylenediaminetetraacetic acid solution and europium (Eu3+) conjugated anti-phosphotyrosine antibody (5 &#956;l) were added to the reaction solution to terminate the reaction. Upon completion of the reaction, one hour culture was performed, followed by analysis using homogeneous time-resolved fluorescence (HTRF, Cisbio). OD615/665 was measured with Wallac Envision 2103. IC50 of each compound was determined by using prism software (Version 5.01, Graphpad). 
804	2	Inhibition of ALK L1196M Anaplastic Lymphoma Kinase Activity	To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymphoma kinase (ALK) activity at enzyme level, the following experiment was performed by the same manner as described in experimental example 1 except that ALK L1196M protein was used instead of ALK WT protein.
804	3	Inhibition of ALK IR Anaplastic Lymphoma Kinase Activity	To measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of the present invention to inhibit anaplastic lymphoma kinase (ALK) activity at enzyme level, the following experiment was performed by the same manner as described in experimental example 1 except that IR (Insulin Receptor) protein was used instead of ALK WT protein.
805	2	BCA Protein Assay	The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 uL/well. DMSO solutions of a test compound, which were prepared at an 80-time higher concentration using 100% dimethyl sulfoxide (DMSO), were added to the wells at 2.5 uL/well (final concentrations of 1 nM to 100 nM), and the solutions were mixed. As a radiolabeled ligand, 125I-substance P (Substance P, [125I]Tyr8-, PerkinElmer) was used. 125I-substance P was diluted with the buffer solution for the receptor binding test to a concentration resulting in 125 pmol/25 uL/well and added to the 96-well assay plate, and the solutions were mixed. The membrane fraction prepared from the human NK1 receptor-expressing cells was diluted with the buffer solution for the receptor binding test to a concentration resulting in 8 to 10 ug/well, suspended until the suspension became in such a homogenous state that the suspension could flow through as 27G injection needle smoothly and then added to the 96-well assay plate at 150 uL/well. Then, the plate was incubated at room temperature for 60 minutes while shaking the plate. The reaction solutions were suction-filtered. through a multiscreen 96-well filter plate (Millipore) which had been pre-treated with 0.3% polyethyleneimine, and the reaction was terminated by washing with a washing solution (50 mM Tris and 0.02% bovine serum albumin, pH 7.4) four times. The bottom of the microplate was dried at 60&deg; C., and then 100 uL/well of MicroScint 20 (PerkinElmer) was dispensed to the wells. The top of the plate was sealed with TopSeal A (PerkinElmer), and the plate was shaken for 5 to 10 minutes. Then, the radioactivities were measured with TopCount NXT (registered trademark) (PerkinElmer). The radioactivity of each well was calculated by subtracting the radioactivity of the well to which 10 uM aprepitant was added (non-specific binding). The binding rate (%) of 125I-substance P=(the radioactivity of the group to which the test compound was added)/(the radioactivity of the group to which the vehicle was added)x100 was calculated. Using analysis software, GraphPad Prism (GraphPad Software), the binding rate (%) was plotted against the concentration of the test compound and linearly approximated, and the concentration required for 50% inhibition, IC50, was calculated.
805	1	Inhibitory Effect on CYP3A4	A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a reaction solution was prepared by diluting the solution. Enzyme reaction was performed by incubating in a potassium phosphate buffer solution (pH 7.4) containing 1 nM to 20 &#956;M test compound, 3.2 mM magnesium chloride, 0.2 pmol human CYP3A4 (BD Biosciences), 0.5 mM reduced nicotinamide adenine dinucleotide phosphate (NADPH) and 3 &#956;M Luciferin-IPA (Promega) at 37° C. for 10 minutes. The volume of the reaction solution was 50 &#956;L/well. The 30-minute pre-incubation group was incubated at 37° C. for 30 minutes before adding the substrate, the Luciferin-IPA solution (12.5 &#956;L/well). At the end of the enzyme reaction, 50 &#956;L/well of a Luciferin detection reagent (Promega) was added to the wells, and the plate was left at room temperature for 20 minutes. Then, the emission intensities were measured with Infinite M1000 (TECAN). The enzyme activities (%) relative to the value of the group to which the test compound was not added were calculated. A dose-response curve was drawn using analysis software, GraphPad Prism (GraphPad Software), and the concentration of each compound that exhibited 50% inhibition, IC50, was calculated. As a comparative example, aprepitant, which is an NK1 receptor antagonist, was tested in the same manner.
807	1	FLIPR Assays	FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clones. For the FLIPR assay, one day before assay, GPR40/CHO NFAT BLA cells were seeded into black-wall-clear-bottom 384-well plates (Costar) at 1.4×10e4 cells/20 &#956;L medium/well. The cells were incubated with 20 &#956;l/well of the assay buffer (HBSS, 0.1% BSA, 20 mM HEPES, 2.5 mM probenecid, pH 7.4) containing 8 &#956;M fluo-4, AM, 0.08% pluronic acid at room temperature for 100 minutes. Fluorescence output was measured using FLIPR. Compounds were dissolved in DMSO and diluted to desired concentrations with assay buffer. 13.3 &#956;L/well of compound solution was added.
808	1	Biological Assays Calcium Flux Assay	Cell expressing the GRIA1o-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2, 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra. The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound. The data in Table 3 below illustrates the observed potentcy for the compounds described herein. pIC50 refers to the negative log of the IC50 in molar. Using a similar protocol, compounds were also tested for their ability to inhibit TARP &#947;2 dependent AMPA receptor activity. The compounds that were tested for TARP &#947;2 AMPA receptor activity had pIC50 values less than 6.
809	1	n Vitro Enzyme Inhibition Assay LSD-1	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number 060341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
810	1	Biochemical hGSK-3Beta Assay	Compounds were tested for their ability to inhibit human Glycogen Synthase Kinase-3 beta (hGSK-3&#946;) to phosphorylate biotin-YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE. Compounds were incubated with 0.5 &#956;Ci 33P-ATP, 10 &#956;M ATP, 0.0125 U hGSK-3&#946; (Upstate cell signaling solutions) and 1 &#956;M substrate (biotin-YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE) in 50 mM HEPES, 10 mM MgCl2, 100 mM Na3VO4, 1 mM DTT, 0.0075% Triton, 2% DMSO (total volume 50 &#956;L) for 30 minutes at room temperature. The incubation was stopped by addition of an equal volume of 100 mM EDTA, 4M NaCl. 80 &#956;L of this mixture was added to streptavidin-coated Flash-plates (PerkinElmer). Following a wash step, 33P incorporation was quantified on a MicroBeta microplate liquid scintillation counter (Perkin Elmer). IC50s were determined by fitting a sigmoidal dose-response curve to the counts obtained at the different concentrations in GraphPad Prism.
811	1	Biochemical JAK and Off-Target Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAKL 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
813	1	Fluorescence polarization (FP)  Assay	To a NETN (20 mM Tris.HCl, 100 mM NaCl, 1 mM EDTA, 0.5% NP-40, 1 mM PMSF) buffer containing 200 &#956;M ascorbic acid, 20 &#956;M &#945;-ketoglutaric acid, 100 &#956;M FeCl2 was added FAM-HIF (556-575) at a final concentration of 1 &#956;M in the dark. Subsequently, the desired concentration of the test compound or the positive compound was added (the compound was replaced by the buffer in the negative control and the positive control). Finally, PHD2 was added at a final concentration of 0.5 &#956;g/&#956;l (PHD2 was replaced by the buffer in the negative control). They were mixed well and allowed to stand at room temperature for 30 minutes in the dark followed by 95° C. water bath for 1 minute, and then the reaction was terminated. After the temperature drops to room temperature, the sample was prepared well for use. EBC buffer (50 mM Tris.HCl, 120 mM NaCl, 0.5% NP-40) was added to the corresponding wells of a black 96-well test plate. A GST-VBC complex was added to the corresponding test wells at a final concentration of 300 nM (using the wells containing only EBC buffer as blank wells). Subsequently, the corresponding PHD2 prolyl hydroxylation reaction sample was added in the dark as a substrate with a final concentration of 100 nM. After mixing well, the lateral and longitudinal fluorescence intensity values were measured using a full-wavelength multifunctional microplate reader (TECAN infinite M1000) at an excitation wavelength of 407 nm and an emission wavelength of 518 nm.
814	1	Calcium Influx Assay Based on Fluorescence	Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 receptor-overexpressed HEK293 cell line is used. The day before the experiment, cells were prepared in a cell culture medium (DMEM, 5% FBS) with the density of 80,000/well, and 100 &#956;l of cells were dispensed into each well of a poly-D-lysine-coated 96-well plate. Cells were incubated in a 5% CO2, 37° C. incubator. The next day, the cell culture medium was removed from the plate, and 100 &#956;l of 1× Fluo-4 calcium indicator diluted with a buffer (1× Hank&#39;s balanced salt solution, 20 mM HEPES, 2.5 mM probenecid) were added to each well and incubated at 37° C. for 1 hour. The compound stock solutions were prepared in 100% DMSO, and the compounds were serially diluted with a 1/4 dilution to 6 or 7 concentrations (final concentration was 10 &#956;M to 10 nM). The diluted compound solutions were added to the plate with 0.1 to 0.2% of final DMSO concentration. 1 hour after the addition of Fluo-4 calcium indicator, L-glutamate (EC20 concentration) and the test compound solutions were added to the plate, and Ca2+ reaction was then measured by FLIPR at room temperature. The activity of the compounds was standardized on the basis of the results of maximum value-minimum value of fluorescent reaction, and the activity value was calculated on the basis that no activity on glutamate EC20 is 0% and the reaction to glutamate maximum value is 100%.
815	1	CaMKII delta Biochemical Assay	The biochemical activity of recombinant CaMKII&#948; was measured by monitoring the phosphorylation of a target peptide using Homogenous Time Resolved Fluorescence (HTRF) technology from CisBio Bioassays. 10 pM CaMKIS (Life Technologie Corporation) was incubated for 1 hour with 110 nM calmodulin (EMD Millipore), 1 &#956;M Biotin-STK1 (target peptide, CisBio Bioassays) and 12 &#956;M ATP (Sigma-Aldrich) in a buffer containing 20 mM Hepes pH7.2, 10 mM MgCl2 and 1 mM CaCl2 as well as the compound to be tested or DMSO at a final concentration of 0.6%. The reaction was stopped with the addition of the detection buffer (containing EDTA) with Eu-cryptate labeled anti-phospho-STK1 antibody (CisBio Bioassays) and 125 nM XL665 labeled streptavidin (CisBio Bioassays). After a 1 hour incubation, fluorescence at 620 nm and 665 nm was read using an EnVision Multilabel Reader (Perkin Elmer) and the ratio of signal at 665 nm and 620 nm (665/620) was calculated and plotted against compound concentration to determine compound IC50.
816	1	PDE2 Inhibition In Vitro Assay	Assay: PDE2A is assayed with FL-cAMP as substrate. An enzyme titration is first performed to determine the working concentration of PDE. The concentration of the enzyme giving activity of 100 &#916;mP in the absence of inhibitor is deemed an appropriate working concentration for PDE.PDE enzyme is diluted in a standard reaction buffer (10 mM Tris-HCl pH 7.2, 10 mM MgCl2, 0.1% BSA, 0.05% NaN3) according to the titration curve. For PDE2 assay the reaction buffer is supplemented with 1 &#956;M cGMP to fully activate the enzyme. 99 &#956;l of diluted enzyme solution is added into each well in a flat bottom 96-well polystyrene plate and then 1 &#956;l of test compound dissolved in 100% DMSO is added. The compounds are mixed and pre-incubated with the enzyme for 10 min at room temperature.
817	1	PDE1B Inhibitory Assay	PDE1B inhibition was determined by an IMAP TR-FRET assay. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time. Into each well of a solid white 1536 well plate (Corning) was dispensed 250 pg full-length recombinant NH-terminal GST tagged human PDE1B enzyme (BPS Bioscience Cat #60011, San Diego, Calif.) in 2.5 &#956;L IMAP BSA reaction buffer (Molecular Devices, Sunnyvale, Calif.) containing 10 U/ml Calmodulin and 2.5 mM CaCl2 (Sigma Aldrich.) After a brief centrifugation, 30 nl compound was added by transfer from 1 mM stock in DMSO using a Kalypsys 1536 Pintool. Plates were incubated for 5 minutes at room temperature before dispensing 1.5 &#956;L of 533 nM 5-carboxy fluorescein (FAM)-labeled cAMP (Molecular Devices, Sunnyvale, Calif.) for a final concentration of 200 nM. After a brief centrifugation, the plates were incubated for 30 minutes at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent/Tb complex (Molecular Devices, Sunnyvale, Calif.) to each well. Plates were incubated 1 hour at room temperature and read on a Viewlux multimode plate reader (Perkin Elmer). The instrument was set to excite using the DUG11 filter and measure using 490/10 nm and 520/10 nm filters. Ratios of acceptor and donor were then calculated.
820	1	Inhibition of HIV Replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound.
821	1	Kinase-Glo luminescent kinase assay	The sample compounds were dissolved in DMSO and diluted it to 500 &#956;M concentration with DMSO and transferred to a dose plate. The compounds were serially diluted with DMSO in 5 fold concentration. Then each concentration was diluted 10-fold with the reaction buffer to get a 10× final concentration. Transfer the compounds with concentrations ranging from 0.003 &#956;M to 50 &#956;M to EGFR assay plate to determine their kinase activity with a dose of 1 &#956;L/well.The positive control compound Gifitinib was dissolved in DMSO as 10 mM stock solution and diluted it to 100 &#956;M concentration with DMSO. The control compound was serially diluted with DMSO in 5 fold concentration. Then each concentration was diluted 10-fold with the reaction buffer to get a 10× final concentration. Transfer the positive control compound with concentrations ranging from 0.00064 &#956;M to 10 &#956;M to EGFR assay plate to determine their kinase activity with a dose of 1 &#956;L/well.For the HPE (hundred percent effect: No kinase and no compound, but containing ATP, substrate and 1% DMSO) and ZPE (zero percent effect: No compound but containing kinase, ATP, substrate and 1% DMSO) wells, dilute 2 &#956;L DMSO 10-fold with reaction buffer to obtain 10% DMSO solution. Then transfer it to the assay plat, 1 &#956;L/well. The positive control wells contain kinase, ATP, substrate and positive control compound in different concentrations. The sample compound wells contain kinase, ATP, substrate and the compounds to be tested in different concentrations.Preparation of the reagents in need: 4×ATP: dilute ATP 4 times with assay buffer to obtain a working solution; 4× substrate: dilute Poly (glucose: tyrosine) 4 times with assay buffer to obtain a working solution; 2.5×EGFR kinase: dilute EGFR kinase 2.5 times with assay buffer to obtain a working solution.Kinase reaction: Add 10× compounds to the assay plate in a 384-well plate layout, 1 &#956;L/well. For the HPE and ZPE wells, equal volume (1 &#956;L/well) of 10% DMSO was added to the 384-well assay plate; Add 2.5×EGFR kinase into the assay plate in 384-well plate layout, 4 &#956;L/well. For HPE and ZPE wells, an equal volume (4 &#956;L/well) of assay buffer was added to the 384-well assay plate; Centrifuge the assay plate with 1000 rpm for 1 min to mix them; Pre-incubate the assay plate for 30 min at 30° C.; Mix equal volume of 4×ATP and 4× substrate to obtain 2×ATP-substrate mixture which serves as a reaction mixture for the determination of EGFR activity; Add 2×ATP-substrate mixture to the assay plate, 5 &#956;L/well; Centrifuge the assay plate at 1000 rpm for 1 min to mix them; Incubate the assay plate for one hour at 30° C.; Add Kinase glo plus was to each well (10 &#956;L/well), and then incubated the assay plate for 20 min at 27° C.; Read luminescence signal with Envision plate reader.Raw data analysis: The raw data was analyzed by Prism 5.0 and the rate of inhibition was calculated by the following formula: Compound inhibition rate=( compound reading&#8722;ZPE)/(HPE&#8722;ZPE)*100%.
822	1	SMYD3 Biochemical Assay	S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), Tris, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl)phosphine hydrochloride solution (TCEP) were purchased from Sigma-Aldrich at the highest level of purity possible. 3H-SAM was purchase from American Radiolabeled Chemicals with a specific activity of 80 Ci/mmol. 384-well opaque white OptiPlates and SPA beads (Perkin Elmer, catalog # RPNQ0013) were purchased from PerkinElmer.
823	1	Measurement of IC50 of Eckol Derivatives Against Acetylcholinesterase and Butyrylcholinesterase	Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously described method (Ellmans et al., Biochemical Pharmacology, 88-95, 1961). To each cuvette was added DTNB (900 &#956;L of 5.55 mM DTNB in 50-mM potassium phosphate buffer, pH 7.4) followed by the addition of substrate (25 &#956;L of a buffer of substrate of varying concentration). The enzymatic reaction was initiated at 25° C. by the addition of enzyme (75 &#956;L of acetylcholinesterase or butyrylcholinesterase, appropriately diluted in 50 mM, pH 7.4, potassium phosphate buffer to give 0.005 unit), and absorbance change was monitored at 412 nm for 60 s. The slope of the absorbance change is the initial rate of an enzyme reaction. Effect of inhibition for each sample was calculated as inhibition (%)=100 (ST/CT)×100 where CT is the initial rate for a control and ST is the initial rate of a sample.
824	1	BIOLOGICAL ASSAY	Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells transfected with the human H1 receptor (5 mg/ml, PerkinElmer), stored at &#8722;80° C. until use. After thawing, the membranes were homogenized in assay buffer (50 mM Na/K phosphate) prepared in purified water and kept at room temperature (pH 7.4). The assay was performed in 96-well microplates. In each well, 25 &#956;l of buffer and 25 &#956;l of vehicle (total binding) or 10 &#956;M pyrilamine (nonspecific binding) or the products to be tested was added. Subsequently, 200 &#956;l of the membrane suspension was added to all wells and the microtiter plate was preincubated at 25° C. for 15 min. After this time, 25 &#956;l of 3H-pyrilamine (1.5 nM) was added and the reaction was allowed to incubate for 60 min at 25° C. Then, free radioligand was quickly separated from bound radioligand by vacuum filtration (Multiscreen microplate Screener), performing 10 washes with assay buffer (4° C.). Subsequently 45 &#956;l of scintillation fluid was added to each well and after sealing of the microplate, the radioactivity was quantified in a liquid scintillation counter (TopCount). The graphs of the inhibition curves and calculation the IC50 value were generated with the GraphPad Prism program.
825	1	The DYRK1A kinase assa	Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated (0% Control) and phosphorylated (100% control) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
825	2	GSK3 beta kinase assay	Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated (0% Control) and phosphorylated (100% control) forms of Ser/Thr 18 serve as control reactions. After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer). The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))].
827	1	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
827	2	JMJD3 Assay	The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 5 nM JMJD3, 250 nM H3K27me3-biotin labeled peptide (Anaspec cat #64367), 0.4 to 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 27 (H3K27me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 750 nM H3K27me3-biotin labeled peptide and 1.2 to 6 &#956;M alpha-ketoglutaric acid with 2 &#956;L of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 15 nM JMJD3 to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;L of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K27me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio from the readout of 665/615 was calculated for each well and fitted to determine inhibition constant (IC50).
828	1	Biochemical HDAC-4 Assay	5 &#956;l of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the Janus (384-well MDT head from Perkin Elmer). Using a 16-channel Matrix multi-channel pipette, 35 &#956;l of the working solution of HDAC4 catalytic domain enzyme (0.2 &#956;g/ml in assay buffer) is transferred to the assay plate. The assay is then started by adding 10 &#956;l of 5× (50 &#956;M) substrate to the assay plates using either the Bravo, Janus or 16-channel Matrix multi-channel pipette. The assay plate is then shaken for two minutes on an orbital shaker at 900 rpm (rotations per minute). Next the plate is incubated for 15 minutes at 37° C. The reaction is stopped by adding 25 &#956;l of 3× (30 &#956;M) developer/stop solution to the assay plates using either the Bravo, Janus or a 16-channel Matrix multi-channel pipette. Assay plates are then shaken for 5 minutes on an orbital shaker at 1200 rpm. Next, the assay plates are incubated at 37° C. for 1 hour in a tissue culture incubator. Finally, the fluorescence is measured (Excitation: 355 nm, Emission: 460 nm) using PerkinElmer EnVision in top read mode.
829	1	Universal PARP colorimetric assay kit	US Trevigen company
831	1	Kinase-Glo luminescent kinase assay	To determine the IC50 of compounds of the invention, recombinant eEF2K was diluted in an assay buffer in the presence of calmodulin, a calcium-binding messenger protein expressed in eukaryotic cells, and incubated with peptide substrate Ac-RKKYKFNEDTERRRFL in the presence of Adenosine-5&#8242;-triphosphate (ATP) and the test compound. The peptide substrate is efficiently and specifically phosphorylated by eEF2K at a single substrate concentration of 100 &#956;M. Using this peptide, eEF2K activity can be quantitatively determined using a Kinase-Glo luminescent kinase assay kit (Promega) that measures ATP consumption by EF2K during phosphorylation of the substrate. ATP conversion was recorded using Perkin-Elmer Victor Luminometer. Data was plotted using GraphPad software and IC50 was calculated using 3-parameter sigmoidal curve fit. FIG. 1 shows the dose-response curve of Compound 35 calculated using this method.
832	1	In Vitro Assay GPR40 Calcium Flux Assay	Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum, 1× L-Glutamine, 1× Penicillin/Streptomycin and 500 &#956;g/mL G418. Rat GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum and 1 &#956;g/mL puromycin. Cells were plated into poly-D-lysine coated 384-well plates and cultured overnight in a 37° C. humidified tissue culture incubator under 5% CO2/90% O2 atmosphere. On the day of the experiment, the culture media was replaced with assay buffer (HBSS, 20 mM HEPES, 0.1% BSA) and the cells incubated at 37° C. for 1 h. Calcium-sensitive fluorescent dye (Fluo 8 No-Wash Calcium Dye, ABD Bioquest) was then added and the cells incubated for another 30 min at 37° C. followed by 15 min at room temperature while protected from the light. The cell plate and a plate of diluted compounds of Formula (I) were loaded into a fluorescent plate reader that added compounds onto the cells while measuring the fluorescence intensity of each well. The plate reader recorded fluorescence intensity at 1 second intervals for 8 min and provided the data for analysis in an Excel format. EC50 values were calculated using Prism (GraphPad) software.
838	1	Human Coagulation Factor Xa Assay	The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 mL human coagulation factor Xa (Enzyme Research Laboratories, Inc; final concentration 8.36 nM) or a buffer of 50 &#956;L rat coagulation factor Xa (Enzyme Research Laboratories, Inc; final concentration 57.5 nM) was added dropwise to the appropriate wells of the Greiner 384 microtiter plate to determine IC50. The buffer containing 2 &#956;L 2% (V/V) DMSO (control group which was free of inhibition) or various concentrations of the compounds to be tested were diluted in the buffer containing 2% (V/V) DMSO, and 48 &#956;L buffer of the supporting base S-2222 (Chromogenix; chemical formula: Bz-IIe-Glu(&#947;-OR)-Gly-Arg-pNA.HCl R&#9552;H (50%), wherein R&#9552;CH3 (50%)) was added, the final concentration was 0.172 mM. In this experiment, the compounds to be tested and the enzyme were incubated for 10 minutes, and then the substrate S-2222 was added to give a final volume of 100 &#956;L to start the assay.The compounds to be tested were regarded as being active when Ki<10 &#956;M. The compounds whose Ki<1 &#956;M were preferred in the present invention, more preferably Ki<0.1 &#956;M, further more preferably Ki<0.01 &#956;M, and further preferably Ki<0.001 &#956;M. Determined by the above method, some compounds of the present invention were of K1<0.1 &#956;M, thus, the compounds of the present invention can be used as effective factor Xa inhibitors.
838	2	Rat Coagulation Factor Xa Assay	The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 mL human coagulation factor Xa (Enzyme Research Laboratories, Inc; final concentration 8.36 nM) or a buffer of 50 &#956;L rat coagulation factor Xa (Enzyme Research Laboratories, Inc; final concentration 57.5 nM) was added dropwise to the appropriate wells of the Greiner 384 microtiter plate to determine IC50. The buffer containing 2 &#956;L 2% (V/V) DMSO (control group which was free of inhibition) or various concentrations of the compounds to be tested were diluted in the buffer containing 2% (V/V) DMSO, and 48 &#956;L buffer of the supporting base S-2222 (Chromogenix; chemical formula: Bz-IIe-Glu(&#947;-OR)-Gly-Arg-pNA.HCl R&#9552;H (50%), wherein R&#9552;CH3 (50%)) was added, the final concentration was 0.172 mM. In this experiment, the compounds to be tested and the enzyme were incubated for 10 minutes, and then the substrate S-2222 was added to give a final volume of 100 &#956;L to start the assay.The compounds to be tested were regarded as being active when Ki<10 &#956;M. The compounds whose Ki<1 &#956;M were preferred in the present invention, more preferably Ki<0.1 &#956;M, further more preferably Ki<0.01 &#956;M, and further preferably Ki<0.001 &#956;M. Determined by the above method, some compounds of the present invention were of K1<0.1 &#956;M, thus, the compounds of the present invention can be used as effective factor Xa inhibitors.
838	3	Human Thrombin Assay	The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner 384 microtiter plate were used to determine IC50. A buffer contained 50 &#956;L human thrombin (Sigma; T8885), the final concentration of which was 0.05 NIH unit/mL. A buffer containing 2 &#956;L 2% (V/V) DMSO (control group which was free of inhibition) or various concentration of the compound to be tested was diluted in the buffer containing 2% (V/V) DMSO. A buffer containing 48 &#956;L substrate S-2238 (Chromogenix; Chemical formula: H-D-Phe-Pip-Arg-pNA.2HCl) was added, the final concentration was 30 &#956;M. In this assay, the compound to be tested and the enzyme were pre-incubated for 10 minutes, the substrate was added to give a final volume of 100 &#956;L to start the assay.
838	4	Human Trypsin Assay	The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 microtiter plate were used to determine IC50. A buffer containing 50 &#956;L human trypsin (Sigma; T6424), the final concentration was 0.39 BAEE unit/mL, a buffer containing 2 &#956;L 2% (V/V) DMSO (control group which was free of inhibition) or various concentration of the compound to be tested was diluted in the buffer containing 2% (V/V) DMSO. A buffer containing substrate S-2222 (Chromogenix), the final concentration was 30 &#956;M. In this assay, the compound to be tested and the enzyme were pre-incubated for 10 minutes and then 48 &#956;L substrate was added to give a final volume of 100 &#956;L to start the assay.
838	5	Prothrombin Assay	The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 &#956;L human factor Xa was incubated in 10 mM HEPES buffer and pH 7.4, 2 mM CaCl2, the final concentration was 0.5 nM, and 12.5 &#956;L human blood platelets (1×107 mL&#8722;1) was added at 37° C. After 10 mins, 25 &#956;L prothrombin was added to initiate the reaction, the final concentration was 0.5 &#956;M, a buffer containing 2 &#956;L 2% (V/V) DMSO (control group which was free of inhibition) or various concentration of the compound was diluted in the buffer containing 2% (V/V) DMSO. After 20 minutes, 48 &#956;L substrate S-2238 (Chromogenix) was added until the final concentration was 50 &#956;M to determine thrombin activity.
841	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
841	2	Jak2 Tyrosine Kinase Assay	Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinical trials (see, for example, Pardanani, A., Leukemia, 26:1449-1451 (2012)). Jak2 signaling occurs thru EPO and TPO, which control erythrocyte and platelet proliferation, respectively. Thus, inhibition of Jak2 tyrosine kinase can potentially lead to side-effects in the clinic. Btk inhibitors with improved selectivity over Jak2 tyrosine kinase are desired in order to minimize off target side-effects related to the inhibition of Jak2 tyrosine kinase.The assays were performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerolphosphate, 0.015% Brij 35 surfactant and 4 mM DTT). The reaction was initiated by the combination of Jak2 tyrosine kinase with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 minutes and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays is ATP, 30 &#956;M; Jak2 fluorescent peptide, 1.5 &#956;M; Jak2, 1 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations, each in duplicate. IC50 values were derived by non-linear regression analysis.
843	1	Replicon Assay	The assay utilizes the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an Internal Ribosome Entry Site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter portion (FfL-luciferase), and a selectable marker portion (neoR, neomycine phosphotransferase). The construct is bordered by 5&#8242; and 3&#8242; NTRs (non-translated regions) from HCV type 1b. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that express HCV RNA, which replicates autonomously and to high levels, encoding inter alia luciferase, are used for screening the antiviral compounds.The replicon cells are plated in 384 well plates in the presence of the test and control compounds which are added in various concentrations. Following an incubation of three days, HCV replication is measured by assaying luciferase activity (using standard luciferase assay substrates and reagents and a Perkin Elmer ViewLux ultraHTS microplate imager). Replicon cells in the control cultures have high luciferase expression in the absence of any inhibitor. The inhibitory activity of a compound on luciferase activity is monitored on the Huh-Luc cells, enabling a dose-response curve for each test compound. EC50 values are then calculated, which value represents the amount of the compound required to decrease the level of detected luciferase activity by 50%, or more specifically, the ability of the genetically linked HCV replicon RNA to replicate.
844	1	Enzyme Inhibition Assay	The enzyme inhibition assays were performed using the luminometric methodology of kinase-Glo. The recombinant human GSK3 enzyme (catalogue no. 14-306) was acquired from Upstate (Dundee, UK). The prephosphorylated polypeptide was synthesised by American Peptide Inc. (Sunnyvale, Calif.). The luminescent kinase kit (catalogue no. V6711) was obtained from Promega. The ATP and the other reagents were purchased from Sigma-Aldrich (St. Louis, Mo.).The assays were performed in buffer using 96-well plates. 10.mu.l of the compound to be assayed (dissolved in DMSO at a concentration of 1 mM, and, in turn, dissolved in buffer to the concentration necessary for the experiment) and 10.mu.l (20 ng) of the enzyme are added to each well, followed by 20.mu.l of buffer containing 25.mu.M of the substrate and 1.mu.M of ATP. The final concentration of DMSO in the experiment did not exceed 1%. Following a half-hour incubation at 30.degree. C., the enzymatic reaction is stopped with 40.mu.l of the kinase-Glo reagent. The luminescence is measured after ten minutes, using a POLARstar Optima multimode reader. The activity is proportional to the difference between the total ATP and the ATP consumed. The inhibitory activities were calculated as a function of the maximum activity, measured in the absence of inhibitor.
846	1	Factor XIa Enzyme Assay	Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
846	2	Factor Xa and Thrombin Enzyme Assay	Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/mL, respectively in the same buffer containing 150 mM NaCl, 2 mg/mL PEG6000, 50 mM Tris-HCl (pH7.4), except that the reactions were started with 300 &#956;M S-2222 (phenyl-Ile-Glu-Gly-Arg-pNA, Chromogenix) and 300 &#956;M S-2366, respectively.
847	1	Radioligand Binding Assay	An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin concentrating hormone receptor (MCHR1). Membranes from stably transfected HEK-293 cells expressing a mutated (E4Q, A5T) hMCHR1 receptor were prepared by dounce homogenization and differential centrifugation. Binding experiments were carried out with 0.5-1.0 &#956;g of membrane protein incubated in a total of 0.2 mL in 25 mM HEPES (pH 7.4) with 10 mM MgCl2, 2 mM EGTA, and 0.1% BSA (Binding Buffer) for 90 min. For competition binding assays, reactions were carried out in the presence of with 0.06-0.1 nM [Phe13, [125I]Tyr19]-MCH and increasing concentrations of unlabeled test molecules. Reactions were terminated by rapid vacuum filtration over 96 well-GFC UNIFILTER plates pre-coated with 0.075 mL binding buffer containing 1% BSA, and washed 3 times with 0.4 mL of Phospho-buffered Saline (pH 7.4) containing 0.01% TX-100. Filters were dried, 0.05 mL MicroScint 20 was added to each well and radioactivity was subsequently quantified by scintillation counting on a TOPCOUNT microplate scintillation counter (Packard). 
849	1	Enzyme Assay	The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to the method of Ellman et.al. (i.e., Ellman, G. L., Courtney, K. D., Andres, V., and Featherstone, R. M., Biochem. Pharmacol., 1961, 7, 88-95).Human recombinant acetylcholinesterase and human recombinant butyrylcholinesterase were employed. Each reaction mixture contained the enzyme (either ACHE or BCHE) solution, DTNB and sample in Tris HCl buffer solution. The reactions were initiated by the addition of the substrate (either acetylthiocholine iodide or butyrylthiocholine iodide, respectively for ACHE and BCHE enzymes). The enzyme catalyzed formation of the yellow color was measured at 412 nm in terms of the calculation of enzyme activity concomitant to the presence of an inhibitor activity. 
852	1	Biological Assay	Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersham Biosciences) and cultured to sub-confluency for 24 h. For glycine uptake assays the culture medium was aspirated and the cells were washed once with 100 &#956;l HBSS (Gibco BRL, #14025-050) with 5 mM L-Alanine (Merck #1007). 80 &#956;l HBSS buffer were added, followed by 10 &#956;l inhibitor or vehicle (10% DMSO) and 10 &#956;l [3H]-glycine (TRK71, Amersham Biosciences) to a final concentration of 200 nM for initiation of glycine uptake. The plates were placed in a Wallac Microbeta (PerkinElmer) and continuously counted by solid phase scintillation spectrometry during up to 3 hours. Nonspecific uptake was determined in the presence of 10 &#956;M Org24598. IC50 calculations were made by four-parametric logistic nonlinear regression analysis (GraphPad Prism) using determinations within the range of linear increase of [3H]-glycine incorporation between 60 and 120 min.2. Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1:Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.The following results were 
853	1	Radioligand Binding Assay	1. [3H]-Glycine uptake into recombinant CHO cells expressing human GlyT1: Human GlyT1c expressing recombinant hGlyT1c_5_CHO cells were plated at 20,000 cells per well in 96 well Cytostar-T scintillation microplates (Amersham Biosciences) and cultured to sub-confluency for 24 h. For glycine uptake assays the culture medium was aspirated and the cells were washed once with 100 &#956;l HBSS (Gibco BRL, #14025-050) with 5 mM L-Alanine (Merck #1007). 80 &#956;l HBSS buffer were added, followed by 10 &#956;l inhibitor or vehicle (10% DMSO) and 10 &#956;l [3H]-glycine (TRK71, Amersham Biosciences) to a final concentration of 200 nM for initiation of glycine uptake. The plates were placed in a Wallac Microbeta (PerkinElmer) and continuously counted by solid phase scintillation spectrometry during up to 3 hours. Nonspecific uptake was determined in the presence of 10 &#956;M Org24598. IC50 calculations were made by four-parametric logistic nonlinear regression analysis (GraphPad Prism) using determinations within the range of linear increase of [3H]-glycine incorporation between 60 and 120 min.2. Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1:Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
854	1	IMAP Technology	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).Specific compounds of the instant invention were tested in the assay described above and were found to have IC50 values of &#8806;20 &#956;M against substrate.Procedure: A 20 &#956;l reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DTT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;l of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
855	1	Scintillation Proximity Assay (PI3K-&#947;)	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
855	2	Scintillation Proximity Assay (PI3K&#948;)	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
856	1	Radioligand Binding Assay	Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.
856	2	FLIPR Ca2+ Flux Assay	. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist.
858	1	HotSpot Assay	In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, followed 15-20 minutes later by addition of a mixture of ATP (Sigma, St. Louis Mo.) and 33P ATP (Perkin Elmer, Waltham Mass.) to a final concentration of 10 &#956;M. Reactions were carried out at room temperature for 120 min, followed by spotting of the reaction mixtures onto P81 ion exchange filter paper (Whatman Inc., Piscataway, N.J.). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).Reaction Conditions: Buffer Conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. ATP concentration: 10 &#956;M. Reaction Time: 2 hours. Compound 3 was tested at 10 concentrations as follows with a comparison to the common kinase inhibitor reference compound staurosporine. Compounds were tested in a 10-point IC50 mode with 3-fold serial dilution starting at 10 uM. Control Compound was tested in a 10-point IC50 with 3-fold serial dilution starting at 20 uM.
858	2	Binding Assay	Each compound of the present invention prepared in the examples was prepared in DMSO into concentrations of 0.02, 0.06, 0.3 and 2 mM. 10 uL of the prepared compound solution was allocated in each well of a 96-well plate, and then 10 uL of 200 uM (R)( )-&alpha;-methylhistamine (RaMH) diluted with analysis buffer and 1% of DMSO were transferred to each well to calculate non-specific binding and total binding degree. 15 ug of human histamine 3 receptor-overexpressed cell membrane (PerkinElmer) was diluted with 180 uL of analysis buffer solution (50 mM tris-HCl pH 7.4, 5 mM MgCl2), and that was transferred to each well. [3H] labeled Na-methylhistamine (PerkinElmer) was diluted into 20 uM concentration, 10 uL of that was added to each well, and then it was kept in a 27 &deg; C. incubator for 30 minutes. After the reaction, 200 uL of the mixture was transferred to a glass fiber plate in which 0.5% polyethylene amine was presoaked, and then non-binding [3H] labeled Na-methylhistamine was removed in vacuum. After 5 times washing with 200 uL of washing buffer solution (50 mM tris-HCl, pH 7.4), the plate was dried in a 37 &deg; C. oven for 18 hours. 100 uL of betascint cocktail solution was added to each well, and after 1 hour CPM of [3H] labeled N-&alpha;-methylhistamine was measured by using Wallac beta-counter TriLux.
858	3	Assay method 3	The binding assays of the human serotonin 3 receptor for present invention were performed at Cerep (Poitiers, France).
860	1	Receptor Radioligand Binding Assay	Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moravek Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea, CAS Registry #288150-92-5). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-5B674042 diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
860	2	Receptor Radioligand Binding Assay	HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in DMEM, 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 1×HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moravek Corporation, specific activity=27 Ci/mmol), diluted to a 20 nM concentration in PBS (5 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-carboxamide, CAS Registry #1089563-88-1). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
862	1	Enzymatic Assay	Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, followed 15-20 minutes later by addition of a mixture of ATP (Sigma, St. Louis Mo.) and 33P ATP (Perkin Elmer, Waltham Mass.) to a final concentration of 10 &#956;M. Reactions were carried out at room temperature for 120 min, followed by spotting of the reaction mixtures onto P81 ion exchange filter paper (Whatman Inc., Piscataway, N.J.). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software). Reaction Conditions: Buffer Conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. ATP concentration: 10 &#956;M. Reaction Time: 2 hours. Compound 3 was tested at 10 concentrations as follows with a comparison to the common kinase inhibitor reference compound staurosporine. Compounds were tested in a 10-point IC50 mode with 3-fold serial dilution starting at 10 uM. Control Compound was tested in a 10-point IC50 with 3-fold serial dilution starting at 20 uM. All kinase reactions were performed at 10 uM ATP. Test concentrations are provided below in molar units (M).
864	1	Inhibition Assay	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 &#956;l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. #A-7906), 50 nM cGMP (Sigma, cat. #G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. #TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat #SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 &#956;l of YSi-SPA scintillation beads (GE Healthcare, cat. # RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer TopCount Scintillation plate reader.
865	1	JAK1/2/3 kinase assay	JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&#8242;-LYTE Kinase Assay Kit-Tyr 3 Peptide (Invitrogen, Cat. No. PV3192). Recombinant human JAK1/2/3 or TYK2 catalytic domains are from Invitrogen (Cat No. PV4774/PV4210/PV3855/PV4790); All reactions (20 &#956;L) are started by adding 2.5 &#956;L of the testing compound in 4% DMSO solution, 5 &#956;L of Kinase/Peptide substrate Mixture (3.2, 0.04, 0.2 or 8 g/mL for Recombinant human JAK1/2/3 catalytic domains, 4 &#956;M for Z-LYTE Tyr 6 peptide or Z-LYTE Tyr 3 peptide) or Phospho-Peptide solution (Invitrogen, Cat. No. PV3192, diluted with 1.33× Kinase Buffer), 2.5 &#956;L ATP Solution (300/100/40/100 &#956;M, JAK1/JAK2/JAK3/TYK2) or 1.33× Kinase Buffer (Invitrogen, Cat. No. PV3189, 5× diluted with distilled water). The 384-well assay plate (Corning, Cat. No. 3575) is mixed and incubated at room temperature for 1 hour. 5 &#956;L of the Development Solution (Dilute Development Reagent A (Cat. No. PV3297) is diluted to 1/64 with Development Buffer (Cat. No. PV3127) for JAK1, JAK2 and JAK3 assay; Development Reagent A (Cat. No. PV3297) is diluted to 1/2048 with Development Buffer (Cat. No. PV3127) for TYK2 assay. The diluted Development Solution is then added to each well, mixed and incubated at room temperature for another 1 hour. The kinase reaction is then stopped by adding 5 &#956;L of the Stop Reagent (Invitrogen, Cat. No. PV3094), and the plate is read with Wallac 1420 VICTOR3 Multilabel Counter (PerkinElmer) at 445 nm and 520 nm fluorescence. All compounds are initially tested at 8 different concentrations (1 &#956;M down to 0.0003 &#956;M) using a 1:3 serial dilution scheme.
867	1	Processive DNA synthesis assay	Processive DNA synthesis was assessed by two types of assays: the Rapid Plate Assay and the M13 assay. The Rapid Plate Assay was performed as previously described. Briefly, a 5&#8242;-biotinylated 100-nucleotide template that contains adenines only at its 5&#8242; distal end was annealed with a 15-nucleotide primer to its 3&#8242; end and attached to streptavidin-coated 96-plate wells (Roche Applied Science). DNA synthesis was carried out in 50 &#956;L reaction mixture containing 100 mM (NH)2S04, 20 mM Tris-HCl (pH 7.5), 3 mM MgCl2, 0.1 mM EDTA, 0.5 mM DTT, 2% glycerol, 40 &#956;g/ml BSA, 5 &#956;M dATP, 5 &#956;M dCTP, 5 &#956;M dGTP, 1 &#956;M digoxigenin-11-dUTP, and E9/A20/D4 proteins. The TNT reticulocyte lysate or in vitro translated luciferase was used as a negative control. After incubation at 37° C. for 30 min, the plate was washed extensively with phosphate-buffered saline (PBS). The wells were then incubated with anti-digoxigenin-peroxidase antibody (Roche) for 1 h at 37° C., followed by washing with PBS. The substrate 2,2&#8242;-azino-bis(3-ethylbenzthiazoline)-sulfonate (Roche) was added, and plates were gently rocked to allow color development. DNA synthesis was quantified by measuring the absorbance of each reaction at 405 nm with a microplate reader (Tecan).
868	1	Anti-HIV Activity MT4 Assay	Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell line MT-4 based on the method previously described (Hazen et al., 2007, In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV (Hazen et al., In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV, Antimicrob. Agents Chemother. 2007, 51: 3147-3154; and Pauwels et al., Sensitive and rapid assay on MT-4 cells for the detection of antiviral compounds against the AIDS virus, J. of Virological Methods 1987, 16: 171-185).
869	1	Kinase Assay	A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), Jak3 (aa811-1124) and Tyk2 (aa888-1187). The technology used for the described assay is based on the separation and quantification of substrate and product in an electrical field. In the course of the kinase reaction the peptide substrate is phosphorylated by a kinase. The transfer of a phosphate residue also causes the introduction of two additional negative charges and hence to a change in the net charge of the phospho-peptide compared to the unphosphorylated peptide. Due to this difference in charge the phosphorylated und unphosphorylated peptides migrate with different velocities in an electrical field.In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples (12-sipper chip, Caliper Technologies Corp., Mountain View, USA). In order to allow the detection and quantification of the peptides in the capillary system, the peptides carry a fluorescent label (fluorescein). With this label the peptides can be quantified by fluorescence intensity through the instruments laser and detection system (LC3000, Caliper Life Sciences).The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 3 nM of each kinase together with 2 uM of a fluorescently labeled substrate peptide specific for each enzyme (Jak1 and Jak3 substrate FITC-Ahx-KKSRGDYMTMQIG-NH2, Jak2 and Tyk2 substrate 5(6)-Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 uM Na3VO4, 10 mM -Glycerolphosphate, specific concentrations of MgCl2 (Jak1 12 mM, Jak2 and Tyk2 9 mM, Jak3 1.5 mM) and 45 uM ATP for 60 min at 30° C. in the presence or absence of compound diluted in DMSO. Kinase reaction were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstation (Caliper Technologies Corp., Mountain View, USA) for reading. The relative amount of phosphorylated peptide r, was calculated using the heights of the substrate peak, s, and the product peak, p: r=p/(p+s).
870	1	Antiviral Assay	A cytopathetic effect (CPE) protection assay was performed to determine the ability of a compound to protect the cells from viral infection and thus the CPE induced by viral infection. 96-Well plates were first seeded with 3×10 HEp-2 cells per well in Dulbecco&#39;s modified Eagle&#39;s medium (DMEM) containing 10% fetal bovine serum (FBS). One day after the cells were seeded, they were preincubated with serial dilutions of compounds prepared in 100 &#956;L assay medium (DMEM mixed with F12 medium at a 1:1 ratio, supplemented with 2% FBS and 1 mM sodium pyruvate) for 1 hour at 37° C. 100 &#956;L of assay medium containing 0.2 multiplicity of infection (MOI) of RSV was then added to each well of cells. In addition to wells containing infected cells incubated with compounds, each plate also contained replicates of two kinds of controls: (1) Virus control contained cells infected with 0.2 MOI of RSV in assay medium, (2) Uninfected cell control contained cells incubated with assay medium only. After 4 days of incubation at 37° C., the viability of cells was assessed using MTT (Thiazolyl blue tetrazolium bromide, Sigma). A stock solution of MTT, at a concentration of 4 mg/mL in phosphate-buffered saline, was added to all wells at 25 &#956;L per well. Plates were further incubated for 4 hours, and each well was then treated with 50 &#956;L of a solution containing 20% sodium dodecyl sulfate (SDS) and 0.02 N HCl. After an overnight incubation, the plates were measured on a BioTek microtiter plate reader at wavelengths of 570 nm and 650 nm. The MTT detection is based on the fact that viable (uninfected) cells can reduce the tetrazolium salts into colored formazan products, which can then be quantitated by spectrometry. Based on the spectrometric absorbance of each sample, the percent of protection from CPE, which is an indicator of protection from viral infection, can be calculated for each compound and the 50% effective concentrations (EC50) can be calculated using a nonlinear regression curve fitting equation provided by the GraphPad Prism 4 software. Using the above-described assay, compounds of the present disclosure showed obvious inhibitory activities against RSV replication.
871	1	In Vitro Inhibitory Activities on BTK	The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level: the ability of the compounds to inhibit the activity of Btk kinase was determined in an enzymtic activity assay, and the inhibitory effect of the compounds on BCR-induced calcium flux in cells was determined in a cellular function assay.A platform for determining the Btk kinase activity was established using a Homogeneous Time-Resolved Fluorescence (HTRF) methodology, and the activities of the compounds were determined. The compounds were gradiently diluted 3 folds starting from 1 mM with 100% DMSO (totally 11 concentrations). 4 &#956;L of each sample with a different concentration was added into 96 &#956;L of reaction buffer (50 mM HEPES, pH 7.4, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 0.005% BAS, 2 mM DTT). 2.5 &#956;L of each solution was added to a 384-well plate (OptiPlate-384, PerkinElmer), followed by adding 5 &#956;L of Btk kinase (Millipore). The mixture was centrifuged to mix well, followed by adding 2.5 &#956;L of a mixture of ATP (final concentration designated as Km) and TK petide (HTRF KinEASE-TK, Cisbio) to initiate the reaction (total reaction volume being 10 &#956;L). The 384-well plate was put in an incubator and the reaction was conducted at 23° C. for 120 min, followed by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (Cisbio) and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE-TK, Cisbio) to terminate the reaction. After incubating in the incubator for 1 hour, the fluorescent value was read on Envision (PerkinElmer) (excited at 320 nm, and the emitted light was detected at 665 nm and 615 nm, the ratio therebetween being the enzymatic activity). The enzyme activity for each compound was determined at 11 concentrations, and IC50 values were obtained by GraFit Software 6.0 (Erithacus Software).The ability of the compounds to inhibit the release of calcium from intracellular calcium reservoir was determined by calcium flux using Fluo-4 Direct Calcium Assay Kits (Invitrogen) operated on FlexStation III (Molecular Devices) according to manufacturer&#39;s instructions. The specific procedures were as follows. Romas cells were cultured in RPMI-1640 (Invitrogen) supplemented with 10% FBS (Hyclone), centrifuged and washed, and re-plated in low serum medium in a 96-well plate (1×105 cells per 45 &#956;L per well), followed by adding 45 &#956;L of fluorescent dye (Invitrogen) and incubating at 37° C. for 1 hour. Compounds to be assayed were gradiently diluted 3 folds with DMSO and then diluted 100 folds with low serum medium. 10 &#956;L of each sample was added to a 96-well plate (Corning) containing cells (final concentration of DMSO was 0.01%). The 96-well plate (Corning) was incubated in an incubator (37° C., 5% CO2) for 30 min. The compound-treated cells were stimulated with a goat anti-human IgM antibody (10 &#956;g/ml; SouthernBiotech) and the fluorescent value was read in FlexStation III (excited at 494 nM and detected at 516 nM for 90 seconds). The data for each compound were fitted using GraphPad Prism 5 (GraphPad Software) and calculated to give corresponding IC50 values.
871	2	In Vitro Inhibitory Activities on ITK	In vitro activity in inhibiting ITK kinase was determined similar to that in respect of BTK kinase.The inhibitory activity of the compound of Example 9 on BTK is very high with an IC50 value of 1.9 nM, comparable to the literature compound, Ibrutinib/PCI-32765, which has been approved for clinical application. The platform for the enzymatic assay on ITK kinase (another Tec Kinase, mainly expressed in T cells) was establish with the same method, and the inhibitory ability of the compound of example 9 on ITK was tested. The results showed that IC50 value of this inhibition of ITK was more than 1000 nM. The selectivity of the compound of example 9 on BTK vs ITK was calculated as more than 1000 folds, while the selectivity of the literature compound, PCI-32765, was reported as approximately 100 folds. Accordingly, the selectivity of the compound of example 9 is significantly higher than that of PCI-32765.
872	1	Kinase Glo Luminescent Kinase Assay (Kglo) for PI 3-Kinase Alpha (A), PI 3-Kinase Beta (B), Vps34 (C), PI 4-Kinase Beta (D)	The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Switzerland. L-alpha-phosphatidylinositol (PI, liver, bovine) was obtained from Avanti Polar Lipid (Cat. No. 840042C, Lot#LPI-274), phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2) was obtained from Avanti Polar Lipid (Cat. No. 840046X). L-&#945;-phosphatidylserine (PS) was obtained from Avanti Polar Lipid (Cat. No. 840032C), n-octylglucoside from Avanti Polar Lipid (Cat. No. 10634425001). Luminescence is a well established readout to determine ATP concentrations and can thus be used to follow the activity of many kinases regardless of their substrate. The Kinase Glo Luminescent Kinase Assay (Promega, Madison, Wis., USA) is a homogeneous HTS method of measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction.50 nL of compound dilutions were dispensed onto black 384-well low volume Non Binding Styrene (NBS) plates (Costar Cat. No. NBS#3676). L-&#945;-phosphatidylinositol (PI), provided as 10 mg/ml solution in methanol, was transferred into a glass tube and dried under a nitrogen beam. It was then resuspended in 3% OctylGlucoside (1-O-n-octyl-beta-D-glucopyranoside) by vortexing and stored at 4° C. 5 &#956;l of a mix of PI/OctylGlucoside with the PI 3-kinase alpha and PI 3-kinase beta subtypes, or Vps34 or PI 4-kinase beta were added. Kinase reactions were started by the addition of 5 &#956;l of an ATP-mix containing in a final volume 10 &#956;l 10 mM TRIS-HCl pH 7.5, 3 mM MgCl2, 50 mM NaCl, 0.05% CHAPS, 1 mM DTT and 1 &#956;M ATP at room temperature. Reactions were stopped with 10 &#956;l of KinaseGlo and plates were read 10 mins later in a Synergy2 reader using an integration time of 0.1 seconds per well. 2.5 &#956;M of NVP-BGT226 (1-(3-(trifluoromethyl)-4-(piperazin-1-yl)phenyl)-8-(6-methoxypyridin-3-yl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-one) was added to the assay plates to generate the 100% inhibition of the kinase reaction, and the 0% inhibition was given by the solvent vehicle (90% DMSO in water). (1-(3-(trifluoromethyl)-4-(piperazin-1-yl)phenyl)-8-(6-methoxypyridin-3-yl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-one) was used as a reference compound and included in all assay plates in the form of 16 dilution points in duplicate.IC50 values of the percentage inhibition of each compound at 8 concentrations (10, 3.0, 1.0, 0.3, 0.1, 0.030, 0.010 and 0.003 &#956;M) n=2 were derived by fitting a sigmoidal dose-response curve to a plot of assay readout over inhibitor concentration as described. All fits were performed with the program XLfit4 (ID Business Solutions, Guildford, UK).
872	2	TR-FRET Adapta Assay for PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F)	The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad, Calif., USA) (Cat. No. PV5099). The kit contains the following reagents: Adapta Eu-anti-ADP Antibody (Europium labeled anti-ADP antibody in HEPES buffered saline, Cat. No. PV5097), Alexa Fluor 647-labeled ADP tracer (Alexa Fluor 647-labeled ADP tracer in HEPES buffered saline, Cat. No. PV5098), TR-FRET dilution buffer pH 7.5 (Cat. No. PV3574). PIK3CD substrate phosphatidylinositol (PI) was obtained from Invitrogen (vesicules consisting of 2 mM phosphatidylinositol (PI) in 50 mM HEPES pH7.5; Cat. No. PV5371). PIK3CG substrate phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2 was obtained from Invitrogen (PIP2:PS large unilamellar vesicules consisting of 1 mM PIP2:19 mM PS in 50 mM HEPES pH7.5, 3 mM MgCl2, 1 mM EGTA; Cat. No. PV5100). Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) is a technology based on energy transfer between two adjacent dyes, from an excited electron in one dye (the donor) to an electron of an adjacent dye (the acceptor) through resonance, then released as a photon. This energy transfer is detected by an increase in the fluorescence emission of the acceptor, and a decrease in the fluorescence emission of the donor. TR-FRET assays for protein kinases use a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference from compound autofluorescence or light scatter from precipitated compounds, by introducing a delay after excitation by a flashlamp excitation source. Results are often expressed as a ratio of the intensities of the acceptor and donor fluorophores. The ratiometric nature of such a value corrects for differences in assay volumes between wells, as well as corrects for quenching effects due to colored compounds. The Adapta assay can be divided into two phases: a kinase reaction phase and an ADP detection phase. In the kinase reaction phase, all kinase reaction components are added to the well and the reaction is allowed to incubate for a set period of time specific for each kinase. After the reaction, a detection solution of Eu-labeled anti-ADP antibody, Alexa Fluor 647-labeled ADP tracer, and EDTA (to stop the kinase reaction) are added to the assay well. ADP formed by the kinase reaction will displace the Alexa Fluor 647-labeled ADP tracer from the antibody, resulting in a decrease in TR-FRET signal. In the presence of an inhibitor, the amount of ADP formed by the kinase reaction is reduced, and the resulting intact antibody-tracer interaction maintains a high TR-FRET signal. In the Adapta assay, the donor (Europium-anti-ADP antibody) is excited at 340 nm and will transfer its energy to the acceptor (Alexa Fluor 647-labeled ADP tracer). The emission from the Alexa Fluor 647 can be monitored with a filter centered at 665 nm because it is located between the emission peaks of the donor, which is measured at 615/620 nm.
872	3	Lanthascreen Kinase Binding Assay for mTOR (G)	Binding Assays are based on the binding and displacement of an Alexa Fluor 647-labeled, ATP-competitive kinase inhibitors to the kinase of interest. Invitrogen's Kinase Tracers have been developed to address a wide range of kinase targets and are based on ATP-competitive kinase inhibitors, making them suitable for detection of any compounds that bind to the ATP site or to an allosteric site altering the conformation of the ATP site.In the Lanthascreen kinase binding assay, the donor (Eu3+-anti-GST (glutathione S-transferase) antibody) is excited at 340 nm and will transfer its energy to the acceptor (Alexa Fluor 647-labeled ATP-competitive kinase inhibitor=Tracer-314). The emission from the Tracer-314 (Alexa Fluor 647 inhibitor) can be monitored with a filter centered at 665 nm because it is located between the emission peaks of the donor, which is measured at 615/620 nm. The binding of both, the Tracer-314 and Eu3+-anti-GST antibody, to the kinase results in a high degree of FRET from the Eu3+-donor fluorophore to the Alexa-Fluor 647-acceptor fluorophore on the Tracer-314. Binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET.50 nL of compound dilutions were dispensed onto white 384-well small volume polystyrene plate. Then 5 ul of GST-mTOR and Europium-anti-GST antibody followed by 5 ul of tracer-314 (final assay volume 10 ul) are incubated at RT. The standard reaction buffer for the Lanthascreen kinase binding assay contained 50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM EGTA, 0.01% Pluronic F-127. Plates are read 60 mins later in a Synergy2 reader using an integration time of 0.2 microseconds and a delay of 0.1 microseconds.To calculate the emission ratio, the signal emitted at 665 nm from the acceptor (Alexa Fluor 647-labeled Tracer-314) is divided by the signal emitted at 620 nm from the donor (Eu3+ anti-GST antibody).Control for the 0% inhibition was given by the solvent vehicle of the compounds (90% DMSO in H2O). Control for the relative 100% inhibition was performed by adding 10 uM in the mix containing GST-mTOR and Europium anti-GST antibody. An additional control for the absolute 0% inhibition is given by Eu3+ anti-GST antibody without GST-mTOR. Standard compounds for the lipid kinase panel profiling were used as a reference and included in all assay plates in the form of 8 dilution points.
873	1	SYK Assa	SYK kinase assay is a standard kinase assay adapted to a 96 well plate format. This assay is performed in 96-well format for IC50 determination with 8 samples which represented 10 half log dilutions and a 40 &#956;L reaction volume. The assay measures the incorporation of radiolabeled 33P &#947;ATP into an N-terminally biotinylated peptide substrate, derived from naturally occurring phosphoacceptor consensus sequence (Biotin-11aa DY*E). Phosphorylated products were detected upon termination of reactions with EDTA and the addition of Streptavidin coated beads. Representative results are in Table II above.Assay plates: 96-well MultiScreen 0.65 um filter plates (Millipore Cat. No.: MADVNOB10) Streptavidin coated beads: Streptavidin Sepharose , suspension 5.0 mL, in 50 mM EDTA/PBS diluted (1:100), (Amersham, Cat. No.: 17-5113-01)Compounds: 10 mM in 100% dimethylsulfoxide (DMSO), final conc.: compound 0.003-100 uM in 10% DMSOEnzyme: SYK RPA purified, truncated construct of Spleen Tyrosine Kinase aa 360-635, stock solution 1 mg/mL, MW: 31.2 KDa, final conc.:0.0005 &#956;M.Peptide 1: biotinylated peptide is derived from a naturally occurring phosphor-acceptor consensus sequence (Biotin-EPEGDYEEVLE), special order from QCB, stock solution 20 mM, final conc.: 5.0 &#956;M.ATP: Adenosine-5&#8242;-triphosphate 20 mM, (ROCHE Cat. No.: 93202720), final concentration: 20 &#956;MBuffer: HEPES: 2-Hydroxyethyl piperazine-2-ethanesulfonic acid (Sigma, Cat. No.: H-3375)final concentration: 50 mM HEPES pH7.5BSA: Bovine Serum Albumin Fraction V, fatty acid free (Roche Diagnostics GmbH, Cat. No. 9100221) diluted to a final concentration of 0.1%EDTA: EDTA stock solution 500 mM, (GIBCO, Cat. No.: 15575-038) final concentration: 0.1 mMDTT: 1,4-Dithiothreitol (Roche Diagnostics GmbH, Cat. No.: 197777), final conc.: 1 mMMgCl2×6H2O: MERCK, Cat. No.: 105833.1000, final concentration: 10 mMAssay Dilution Buffer (ADB): 50 mM HEPES, 0.1 mM EGTA, 0.1 mM Na Vanadate, 0.1 mM &#946;-glycerophosphate, 10 mM MgCl2, 1 mM DTT, 0.1% BSA, pH 7.5Bead wash buffer: 10 g/L PBS (Phosphate buffered saline) with 2M NaCl+1% phosphoric acid.
874	1	In Vitro Assays	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH (SEQ ID NO: 1)). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
875	1	Fluorescence Biochemical Assay	The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and &#945;-ketoglutarate (&#945;-KG) to form nicotinamide adenine dinucleotide phosphate (NADP+) and R(&#8722;)-2-hydroxyglutarate (2HG). The reaction can be monitored kinetically by following the oxidation of NADPH to NADP+ which is measured using fluorescence, excitation at 355 nm and emission at 530 nm. Reactions were monitored using the Perkin-Elmer Envision, Model 2101. More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Cat. No. 781076) using a final reaction volume of 20 &#956;L and the following assay buffer conditions: 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM DTT, 0.02% BSA, 0.02% Tween-20, 10 &#956;M NADPH and 100 &#956;M &#945;-KG. The final reaction mixture contained 2.5% DMSO and test compounds with concentrations ranging 0.0000008-25 &#956;M. The IDH1 (R132H) enzyme was used at a final concentration of 10 nM. Curve fitting for dose response IC50 determinations was done using a 4-parameter logistic model: y=min+((max&#8722;min)/1+(x/IC50)slope).
875	2	Mutant IDH1 Biochemical Assay: LC-MS Detection of 2-HG	Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a product of the NADPH-dependent alpha-KG reduction reaction.More specifically, the biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction volume of 30 &#956;L and the following assay buffer conditions: 50 mM HEPES pH 7.4, 10 mM MgCl2, 50 mM KCl, 1 mM DTT, 0.02% BSA, 5 uM NADPH and 100 uM alpha-KG.The final reaction mixture contained 3.3% DMSO and inhibitors with concentrations ranging 0.02-50 &#956;M. The IDH1 enzyme was used at a final concentration of 0.25 nM. Following 45 minutes incubation, the reaction mixtures were quenched by the addition of 10 &#956;L of 16% formic acid containing 800 nM of 5-carbon labeled 13C-2-HG). The protein was then precipitated by the addition of 2.5 volumes of acetonitrile followed by centrifugation (3000×g, 20 minutes). The concentration of 2-HG in the resulting supernatants was measured by LC-MS (see below).LC-MS method. Reaction mixture supernatants were submitted to chromatographic separation on a BiobasicAX column (2.1 mm×20 mm, 5 &#956;m particle, Thermo Scientific Inc.). The chromatographic mobile phases were A) 25 mM ammonium biocarbonate and B) acetonitrile (0.1% ammonium hydroxide). Nicotinamide was eluted at 1 ml/min using a 85-5% B gradient over 0.9 minutes (Agilent 1200SL LC system, Thermofisher LX-4 autosampler) and analyzed by multiple reaction monitoring (MRM) on a API4000 QTrap mass spectrometer (ABSciex, Framingham, Mass.) in the positive electrospray ionization (ESI+) mode. The mass transition for 2-HG and 13C-2-HG were 147&#8594;129 and 152&#8594;134, respectively. The relative responses (2-HG/13C-2-HG) were measured at varied inhibitor concentrations and used to calculate inhibitory IC50 values (normalized IC50 regression curves).
876	1	p110alpha (Alpha) PI3K Binding Assay	PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is performed in the presence of PIP2:3PS lipid substrate (Promega #V1792) and ATP. Following the termination if the kinase reaction, turnover of ATP to ADP by the phosphorylation of the lipid substrate is detected using the Promega ADP-Glo (Promega #V1792) assay. ReactionFinal Kinase ATP PIP2:3PS TimeKinase Source Concentration (uM) (uM) (min.)PI3K alpha Millipore 0.2 nM 40 50 120#14-602-K PI3K beta Promega 0.6 nM 40 50 120#V1751 PI3K delta Millipore 0.25 nM&#8194; 40 50 120#14-604-K PI3K gamma Millipore 0.4 nM 25 50 120#14-558-KAfter 120 minutes of reaction time, the kinase reaction is terminated. Any ATP remaining after the reaction is depleted, leaving only ADP. Then the Kinase Detection Reagent is added to convert ADP to ATP, which is used in a coupled luciferin/luciferase reaction. The luminescent output is measured and is correlated with kinase activity.
877	1	CB2 cAMP (Assay 1)	CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
877	2	CB1 cAMP (Assay 2)	CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
878	1	Biological Assays for Inhibition of Rho-Associated Protein Kinase	Assays for ROCK inhibition were performed using the following protein constructs: glutathione S-transferase (GST)-tagged human ROCK1 catalytic domain 1-477 from Carna Biosciences (cat #01-109; apparent Km value for ATP is 10 &#956;M) and GST-tagged human ROCK2 catalytic domain 1-553 from Carna Biosciences (Cat#01-110; apparent Km value for ATP is 15 &#956;M). Protein constructs were purified from a baculovirus expression system. The peptide substrate was fluorescent LANCE Ultra ULight-CREBtide: CKRREILSRRPSYRK (PerkinElmer, # TRF0107-D). Kinase reactions were carried out in in a 10 &#956;L volume in 384-well plates: 50 nM ULight-CREBtide substrate, 2 nM constitutively active ROCK1 or ROCK2 kinase, and test compound in DMSO (or DMSO only for controls) were diluted into assay buffer containing 50 mM Tris-HCl (pH=7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, and 2 mM DTT such that the final concentration of DMSO was 0.5%. After a 90 minute incubation at room temperature on a shaker table, the kinase reaction was stopped by addition of 10 mM EDTA, and phosphorylation of the substrate was detected by adding 1 nM LANCE Ultra Europium-anti-phospho-CREB (ser133) antibody (PerkinElmer, # TRF0200-D) and incubating for 60 minutes on a shaker at room temperature. The flurorescence resonance energy transfer (FRET) signals were read and analyzed on an Envision 2103 Multilabel Reader (Perkin Elmer). The concentration of test compound required to inhibit substrate phosphorylation by 50% (the IC50) was calculated by non-linear regression using GraphPad PRIZM.
879	1	Radioligand Binding	uman or rat P2X7-1321N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10x)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2x). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds. The data are presented in Tables 2 and 3 under the headings: P2X7 human Ki (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5. For analysis, each concentration point is averaged from triplicate values and the averaged values are plotted on Graphpad Prism.
879	2	Ca2+ flux assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of BzATP concentration using Origin 7 software.
880	1	In Vitro ROCK Assays	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50, i.e., the concentration of compound required to inhibit 50% of kinase activity.
881	1	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively. The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
882	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
884	1	TNF or CD40L-Induced HEK-Blue Assay	Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 &#956;M to 25 &#956;M. TNF&#945; (final concentration 0.5 ng/ml) or CD40L (final concentration 30 ng/ml) in assay buffer [DMEM, 4.5 g/l glucose (Gibco, Cat. 21063-029), 10% FBS (Sigma, F4135), 1% Penicillin-Streptomycin (Gibco, Cat. 15140-122), 1% Anti-Anti (Gibco, Cat. 15240-112) and 2 mM L-glutamine (Gibco, Cat. 25030-081)] was then added to the assay plate. After a 30 minute pre-incubation at 37° C. and 5% CO2, HEK-Blue-CD40L cells (InvivoGen, Cat. Code hkb-cd40) containing a NF-&#954;B-driven secreted alkaline phosphatase reporter gene were seeded into the assay plate at a density of 20,000 cells per well. This plate was then incubated for 18 h at 37° C. and 5% CO2. Secreted alkaline phosphatase expression was measured using QUANTI-Blue (InvivoGen, Cat. Code rep-qbl) according to manufacturer&#39;s specifications and the assay plate was read on a PerkinElmer Envision at 620 nm. Inhibition data for the test compound over a range of concentrations was plotted as percentage inhibition of the test compound (100%=maximum inhibition). IC50 values were determined after correcting for background [(sample read&#8722;mean of low control)/(mean of high control&#8722;mean of low control)] where by the low control is DMSO without stimulation and high control is DMSO with stimulation. The IC50 is defined as the concentration of test compound which produces 50% inhibition and was quantified using the 4 parameter logistic equation to fit the data.
885	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
887	1	RET Kinase Enzymatic Assay	Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a baculovirus expression system. GST-RET was purified using glutathione sepharose chromatography. The RET kinase enzymatic assay was performed in a total volume of 10 uL with increasing concentrations of RET kinase inhibitor as a singlet in a 384 well format as follows: RET inhibitor compound plates are prepared by adding 100 nL of RET inhibitor at different concentrations to a 384-well plate. 5 &#956;L/well of a 2x enzyme mix (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid); 1 mM CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propane sulfonate); 0.1 mg/mL BSA (bovine serum albumin); 1 mM DTT (dithiothreitol); 0.2 nM RET kinase) was added to the 384-well plate and incubated for 30 minutes at 23° C. 5 &#956;L/well of a 2× substrate mix (50 mM HEPES; 1 mM CHAPS; 0.1 mg/mL BSA; 20 &#956;M adenosine triphosphate; 20 mM MgCl2 and 1 &#956;M biotinylated peptide substrate) was added and incubated for 1 hour at 23° C. 10 &#956;L/well of 2x stop/detection mix (50 mM HEPES; 0.1% BSA; 800 mM Potassium Fluoride; 50 mM EDTA (Ethylenediaminetetraacetic acid); 200× dilution of Europium Cryptate labeled anti-phosphotyrosine antibody; 62.5 nM Streptavidin-XL665) incubated for 1 hour at 23° C. and read on a Homogenous Time-Resolved Fluorescence reader. IC50s were fitted using GraphPad Prism to a sigmoidal dose response.
888	1	TR-FRET Assay	All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responsed test compound or dmso vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis. 
889	1	MNK Biochemical Enzymatic Assay	Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Reaction Buffer E (15 mM HEPES pH7.4, 20 mM NaCl, 1 mM EGTA, 10 mM MgCl2, 0.1 mg/ml BGG, and 0.02% Tween-20). Final MNK1 reactions contained 10 nM recombinant MNK1 (Life Technologies, PR9138A), 100 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (amino acid sequence shown SEQ ID NO: 1) (American Peptide Company), 300 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final MNK2 reactions contained 3 nM recombinant MNK2 (Life Technologies, PV5607), 50 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (amino acid sequence shown SEQ ID NO: 1) (American Peptide Company), 10 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final DMSO concentration in each reaction is 1%.Kinase reactions are carried out in 96-well half-area white flat-bottom polystyrene plates in a final volume of 25 &#956;l. MNK1/2 enzymes are pre-incubated with compound and peptide substrate for 5 minutes prior to the addition of ATP. After the addition of ATP, kinase reactions are incubated at room temperature for 40 minutes. Reactions are subsequently stopped by the addition of 25 &#956;l of ADP-Glo Reagent and incubating for an additional 40 minutes. The final luminescent signal used for kinase activity readout is produced by the addition of 45 &#956;l of Kinase Detection Reagent (ADP-Glo kit, Promega) and incubating for 40 minutes. The luminescent signal is detected using a Victor 2 multilabel counter (Perkin Elmer) and the concentration of compound necessary to achieve inhibition of enzyme activity by 50% (IC50) is calculated using signals from an 8-point compound dilution series.
891	1	Assays of Enzymatic Activity	Unless otherwise indicated, assays of DOT1L enzymatic activity were performed under balanced conditions (all substrates present at concentrations equal to their respective KM values) using a radiometric assay of S-[methyl-3H] adenosyl-L-methionine transfer from SAM to chicken erythrocyte nucleosomes as previously described. Reactions were initiated by addition of S-[methyl-3H] adenosyl-L-methionine and allowed to run at room temperature for 120 minutes before being quenched by the addition of 800 &#956;M cold SAM.Compound IC50 values were determined from assays of enzymatic activity in which compound was titrated into reaction mixtures by 3-fold serial dilution from DMSO stocks. For each titration, 10 concentrations of inhibitor were used along with 100% inhibition (2.5 &#956;M SAH) and 0% inhibition (1 &#956;L of neat DMSO per well) controls. Plots of residual enzyme velocity as a function of inhibitor concentration were fit to a standard Langmuir isotherm equation (12) to derive estimates of the IC50 value of the compound. As described herein, the inhibition modality of key compounds within the aminonucleoside series were tested and always found to be competitive with SAM and noncompetitive with respect to nucleosome substrate. For most compounds, the Ki value was calculated from the IC50 value using the appropriate equation for competitive inhibition with respect to SAM.For selected compounds, the inhibition modality with respect to the two substrates (SAM and nucleosomes) were determined by dual titration of compound and varied substrate concentration while holding the other substrate fixed at its KM value. Plots of velocity as a function of varied substrate at multiple inhibitor concentrations were globally fit to a general equation for enzyme inhibition using Graphpad Prism. Selection of the modality for each data set was done by evaluating the value of a, a term related to the degree of cooperative or anticooperative interaction between substrate and inhibitor binding, as previously described. A value of &#945;&#8805;10 was taken as consistent with competitive inhibition, while a value of &#945;&#8804;0.1 was taken as consistent with uncompetitive inhibition. Values of &#945; between 10 and 0.1 were considered to be consistent with noncompetitive inhibition.Compounds that displayed an IC50 value within 50-fold of the enzyme concentration used in initial assays ([E]=0.25 nM) were treated as tight binding inhibitors. In this case, the Ki value was determined by measuring the IC50 value of the compound (vide supra) at varying concentrations of enzyme from 5 nM to 0.25 nM. A plot of IC50 as a function of enzyme concentration was fit to a linear equation and the y-intercept value was equivalent to Ki(1+[S]/KM) where [S] and KM refer to SAM, the substrate with which these inhibitors compete. Knowing the values of [S] and KM used in the assay, the Ki value was then calculated from the y-intercept value.Determination of Ligand Association and Dissociation Rate ConstantsLigand association and dissociation rate constants were determined by surface plasmon resonance (SPR). DOT1L was stored in 20 mM Tris-HCl, 200 mM NaCl, 1 mM EDTA, 1 mM DTT, pH 7.8 and immobilized by direct amine coupling, diluting enzyme into coupling buffer containing 10 mM Hepes pH 7.4, 1 mM TCEP. Immobilization run buffer contained 10 mM Hepes pH 7.4, 150 mM NaCl, 500 &#956;M TCEP, and approximately 10,000 RUs (response units) of DOT1L was captured. A reference channel of a surface that was activated in parallel and blocked was created in a second flow cell was also created. Data was captured on either a Biacore 4000 (chip CM5) or a Biorad ProteOn (chip GLM).Kd determinations were determined using run buffer containing 20 mM Tris pH 8.0, 10 mM NaCl, 100 mM KCl, 0.002% Tween-20, 500 &#956;M TCEP, 2% DMSO, with the following injection parameters: 30 &#956;l/min flow rate, with a 30 second association phase followed by monitoring dissociation for 30 seconds. Exp
893	1	Potentiator Assay	Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human &#916;F508-CFTR were used as monolayer cultures on permeable supports. Cl&#8722; current was measured using the short circuit current technique, under an imposed basolateral to apical Cl&#8722; gradient in Ussing chambers. To measure stable Cl&#8722; currents, FRT cells were cultured for 48 h at 27° C. to facilitate the insertion of &#916;F508 CFTR into the plasma membrane. Ussing chamber studies were likewise conducted at 27° C. Under these conditions, the effects of cumulative additions of test compounds on &#916;F508 CFTR currents could be quantitated with both potency and efficacy endpoints. Compounds were added to both the apical and basloalteral sides subsequent to addition of 10 &#956;M forskolin. Efficacy of compounds was compared to a known potentiator such as gensitein.
894	1	In Vitro Test of Inhibition of Human FP Receptor Activity 	For the characterization of test substances in respect of FP antagonism, PGF2&#945;-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS093C) was used.3000 cells in 25 &#956;l of full medium [DMEM F12, 10% FCS, 1.35 mM sodium pyruvate, 20 mM HEPES, 4 mM GlutaMAX, 2% sodium bicarbonate, 1% Pen/Strep, 1% 100× non-essential amino acids] are sown per well of a 384 multititer plate (from Greiner, TC plate, black with clear base) and incubated at 37° C./5% CO2 for 24 hours. Prior to the measurement, the medium is replaced by 30 &#956;l of Fluo-8 AM loading buffer [calcium-free Tyrode (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 4.8 mM NaHCO3, pH 7.4), 2 mM CaCl2, 1× SmartBlock (from CANDOR Bioscience GmbH), 4.5 mM Probenecid, 5 &#956;M Fluo-8 AM, 0.016% Pluronic, 0.04% Brilliant black] and incubated at 37° C./5% CO2 for 30 minutes. The test substance is prepared in DMSO in various concentrations as a dose-response curve (starting concentration 10 mM, dilution factor 3.16) and prediluted 1:50 with calcium-free Tyrode/2 mM CaCl2. 10 &#956;l of the prediluted substance solution are added to the Fluo-8-laden cells and incubated at 37° C./5% CO2 for 10 minutes. The FP receptor is activated by adding 20 &#956;l of 3 nM (final concentration) PGF2&#945; in calcium-free Tyrode/2 mM CaCl2/0.04% Brilliant black, and the calcium flux is determined by measuring the fluorescence at ex. 470 nm/em. 525 nm in a fluorescence measuring instrument (FLIPR Tetra, Molecular Devices) for 120 seconds.
897	1	TLR9 Antagonist Assay	HEK-Blue-hTLR9 cells were obtained from InvivoGen Inc. and used to determine test compound antagonism of human TLR9 (hTLR9) driven responses. HEK-Blue-hTLR9 cells are designed for studying the stimulation of human TLR9 by monitoring the activation of NF-kB. As described by the manufacturer, HEK-Blue-hTLR9 cells were obtained by co-transfection of the hTLR9 gene and an optimized secreted embryonic alkaline phosphatase (SEAP) reporter gene into HEK293 cells. The SEAP reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-kB and AP-1 binding sites. Stimulation with a TLR9 ligand activates NF-kB and AP-1 which induces the production of SEAP. Levels of SEAP can be easily determined with QUANTI-Blue a detection medium that turns purple/blue in the presence of alkaline phosphatase.
898	1	HER2 Degradation Assay with BT-474 Cell Line	HER2 has emerged as a key target for anticancer drugs due to its intrinsic involvement in the phosphatidylinositol-3-kinase-Akt/protein kinase B (PI3 K-Akt) and the mitogen-activated protein kinase (MAPK) pathways, both of which suppress apoptosis and promote tumor cell survival, gene transcription, angiogenesis, cellular proliferation, migration, mitosis, and differentiation. The degradation of HER2 is a measure of efficacy of anticancer therapeutics that target Hsp90. Accordingly, the SDC-TRAP molecules of the invention that comprise a binding moiety that binds Hsp90 were tested in the following HER2 degradation assay.BT-474 cells (human breast cancer cell line ATCC HTB-20) were obtained from ATCC and seeded into 12-well tissue culture plates at 0.2x106/1.8 mL/well. The cells were incubated for more than 6 hours at 37° C. in DMEM+10% FBS, +1% P/S, +1.5 g/L sodium bicarbonate. Each test compound was titrated in 4-fold dilutions from 5 &#956;M to 78 nM with DMSO and 200 &#956;L of the titration was added to each well of the cell plate. The DMSO final concentration was 0.2%. Cells were incubated overnight at 37° C. in 5% CO2.Media was decanted from the plate, cells were washed 1x in PBS. 400 &#956;L trypsin (EDTA) per well was added, and the cells were incubated for 2 to 3 minutes. Cells were collected into FACS tubes containing 1 ml culture medium to neutralize the trypsin and were centrifuged for 5 minutes at 1200 rpm. Supernatant was decanted and the cells were resuspended in 5 &#956;L FITC (anti HER2/nu)/200 &#956;L staining buffer (1×PBS+1% FBS+0.05% Sodium Azide)/tube. Controls were 5 &#956;L IgG isotype control and staining buffer only. Tubes were incubated for 30 minutes in the dark at room temperature. 1 mL staining buffer was added to each tube and the tubes were centrifuged for 6 minutes at 1200 rpm. The supernatant was decanted and 300 &#956;L staining buffer was added to each tube, which was stored at 4° C. for FACS (cytometer) analysis. The cytometer readout was normalized and the potency of each compound was evaluated with IC50 calculated with XLfit software.
899	1	MT4 Assay	Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell line MT-4 based on the method previously described (Hazen et al., 2007, In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV (Hazen et al., "In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV", Antimicrob. Agents Chemother. 2007, 51: 3147-3154; and Pauwels et al., "Sensitive and rapid assay on MT-4 cells for the detection of antiviral compounds against the AIDS virus", J. of Virological Methods 1987, 16: 171-185).Luciferase activity was measured 96 hours later by adding a cell titer glo (Promega, Madison, Wis.). Percent inhibition of cell protection data was plotted relative to no compound control. Under the same condition, cytotoxicity of the compounds was determined using cell titer Glo (Promega, Madison, Wis.). IC50s were determined from a 10 point dose response curve using 3-4-fold serial dilution for each compound, which spans a concentration range >1000 fold.
903	1	NTR1 Ca2+ Flux Dose Response	NTSR1 (NTR1) CHO cells are plated in 20 uL of assay media containing Ham&#39;s F12 supplemented with 10% fetal bovine serum and 0.4 mg/mL G418 at a concentration of 1.0×106 cells per mL into black, 384-well assay plates with clear bottoms using a Multidrop liquid handler. Assay plates are incubated at 37° C. in 5% CO2. The next day, the assay plates are aspirated to remove growth media and washed once with 20 uL of DPBS. The DPBS is then aspirated from the assay plate and replaced with 25 uL of Fluo-4 NW calcium dye prepared according to the manufacturer&#39;s recommendations then the plates are incubated for 1 hour at 37° C. Following the incubation in the presence of dye, the assay is run on a Molecular Devices FlexStation-III using 494 excitation and 516 emission wavelengths set to read for 90 seconds with the addition at 18 seconds of 5 uL of 6× final concentration of test compounds and peptide control diluted in assay media containing 0.1% BSA and no more than 9% DMSO to yield a maximum final DMSO concentration of 1.5%. Percent activation is calculated based on the maximum response minus the minimum value over the time course relative to the neurotensin 1 control peptide at 100 pM. EC50 values were calculated for those compounds tested in 8-point dose dependent response.
906	1	enzyme assay	Well-known assay for kappa opioid receptor
908	1	PRMT5 Biochemical Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
909	1	Integrin-Ligand Interaction by Reference Inhibitors	The optimized protocol was validated by employing reference compounds such as Cilengitide (+V&#946;3/&#945;V&#946;5&#8722;VN interaction) and CWHM12 (&#945;V&#946;6/&#945;V&#946;8-LAP1 interaction). The full reaction (Integrin-Ligand Interaction) was optimized as above. Integrin coupled beads were taken for the experiment.2 &#956;L of 10 nM/20 nM of Ligand was taken and mixed with 8 &#956;L of the compound (i.e., Cilengitide or CWHM12, each diluted from a 10 mM stock). Reaction, with or without DMSO (0.08%), between Integrin and Ligand in the absence of the compound was considered as the full reaction. Reaction with DMSO (0.08%) in the absence of compound and Ligand was considered as the blank reaction.The samples incubated in low protein binding tubes at room temperature for 3 hours. The tubes were placed in a Magna spin and the supernatant was discarded. The beads were washed with assay buffer twice to remove the excess Ligand and then re-suspended in 150 &#956;L of assay buffer containing the primary antibody (1:500 of Anti-VN-FITC or 1:200 of Anti-LAP1 Ab). The tubes were placed in a tube roller and incubated at 4° C. overnight. After a brief spin, the tubes were placed in a Magna spin, and the supernatant was discarded. In the case of &#945;V&#946;3/&#945;V&#946;5-VN interaction, the beads were washed with assay buffer twice and finally washed with PBS. The beads were then re-suspended in 300 &#956;L of PBS and analyzed by a Flow Cytometer. In the case of &#945;V&#946;6/&#945;V&#946;8-LAP1 interaction, the beads were washed with assay buffer twice and treated with 150 &#956;L of Secondary Antibody (1:500) for two hours at room temperature, washed twice with assay buffer and PBS, and finally re-suspended in 300 &#956;L of PBS and analyzed by a Flow Cytometer.
911	1	Plasma-based Clot Lysis Assay	The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by selected test compounds.The test compounds were dissolved in 1% acetic acid and further complemented with an equal volume of DMSO. The resulting stock solutions were serially diluted in 0.5% acetic acid/50% DMSO. 1 &#956;L aliquots of these solutions were placed into 384 well microplates (Greiner, black, transparent bottom), followed by 30 &#956;L of diluted human citrated plasma (platelet-poor, final concentration: 5%; supplemented with fibrinogen, final concentration: 3 &#956;M; dilution buffer: 20 mM HEPES, 150 mM NaCl, 0.01% Brij (pH 7)). The reactions were started by addition of 20 &#956;L of CaCl2 (final concentration: 10 mM), and tPA (tissue plasminogen activator, final concentration: 0.2 nM) in dilution buffer, followed by an additional volume of 20 &#956;L dilution buffer for improved mixing. The reactions were incubated at 37° C. Clot formation and degradation was monitored spectrophotometrically by kinetic optical density measurements at 405 nm. IC50 values were determined by comparing the resulting time courses with the time course of a blank control reaction.
912	1	Enzyme NEP Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).Plates were read on a fluorometer with excitation and emission wavelengths set to 320 nm and 405 nm, respectively. Inhibition constants were obtained by nonlinear regression of the data using the equation (GraphPad Software, Inc., San Diego, Calif.): v=v 0/[1+(I/K&#8242;)] where v is the reaction rate, v0 is the uninhibited reaction rate, I is the inhibitor concentration and K&#8242; is the apparent inhibition constant.Compounds of the invention were tested in this assay and found to have pKi values at human NEP as follows. 
913	1	Factor XIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki. Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.
913	2	Kallikrein Assay	The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki. Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM.
914	1	FGFR2 Kinase Activity	When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences, Inc.) was used as a substrate. The purified recombinant human FGFR2 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration that was 20 times higher than the final concentration. Next, the purified human FGFR2 protein, FL-Peptide 22 (final concentration: 1.5 &#956;M), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 75 &#956;M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA (final concentration: 30 mM) diluted with a separation buffer (Caliper Life Sciences, Inc.) was added thereto to terminate the kinase reaction. Finally, using a LabChip (registered trademark) 3000 system (Caliper Life Sciences, Inc.; excitation wavelength: 488 nm, detection wavelength: 530 nm), phosphorylated peptides and non-phosphorylated peptides were separated, and the amount of each peptide was measured. The level of phosphorylation was determined from the quantitative ratio. The compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
916	1	BROMOscan Binding Assay	A BROMOscan binding assay was utilized to test the in vitro binding activity of (S)-Compounds 1, 2, 3, 4, 5 and 7 to the first and second bromodomains (BRD4(1) and BRD4(2)), separately, of Brd4. (S)-JQ (S8) was used as a positive control.T7 phage strains displaying bromodomains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (5,000×g) and filtered (0.2 &#956;m) to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated small molecule or acetylated peptide ligands for 30 minutes at room temperature to generate affinity resins for bromodomain assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding.Binding reactions were assembled by combining bromodomains, liganded affinity beads, and test compounds in 1× binding buffer (17% SeaBlock, 0.33×PBS, 0.04% Tween 20, 0.02% BSA, 0.004% Sodium azide, 7.4 mM DTT). Test compounds were prepared as 1000× stocks in 100% DMSO and subsequently serially diluted 1:10 in monoethylene glycol (MEG) to create stocks at 100× the screening concentration (resulting stock solution is 10% DMSO/90% MEG). The compounds were then diluted directly into the assays such that the final concentration of DMSO and MEG were 0.1% and 0.9%, respectively. All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 2 &#956;M nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The bromodomain concentration in the eluates was measured by qPCR.
917	1	POP Inhibition Assays	POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AMC (N-benzyloxycarbonyl-Gly-Pro-methylcoumarinyl-7-amide) as POP substrate. The reactions were performed in 96-well microtiter plates, which allowed simultaneous monitoring of multiple reactions. For each reaction, activity buffer (134 &#956;l, 100 mM Na/K phosphate buffer, pH 8.0) was pre-incubated for 15 min at 37° C. with hPOP (ranging from 20 to 60 nM, depending on the activity of the hPOP batch) and the corresponding new compound solution (3 &#956;l). A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Alternatively, the reactions were performed using another activity buffer (141 &#956;L, 100 mM Tris-acetate, 10 mM BSA, 1 mM DTT, pH 7.3), pre-incubating with hPOP (10 nM) and the corresponding new compound solution (3 &#956;l) (Conditions B).After preincubation, Z-G-P-AMC (10 &#956;l, 3 mM in 40% 1,4-dioxane) was added (3 &#956;l, 1.5 mM in 40% of 1,4-dioxane, in Conditions B), and the reaction was incubated for 1 hour at 37° C. The reaction was stopped by adding sodium acetate (150 &#956;l, 1 M, pH 4) and the formation of AMC was measured fluorimetrically. The excitation and emission wavelengths were 360/40 and 485/20 nm, respectively.Several concentration points (ranging from 25 &#956;M to 400 &#956;M) were measured for each compound. The inhibitory activity on prolyl oligopeptidase was calculated according to eq 1. For each new compound, the fluorescence in the presence (a) and in the absence of hPOP (b) was measured. The maximum fluorescence (0% inhibitory activity) was obtained from a sample of hPOP in the absence of inhibitory compounds. To estimate the inhibitory potency of the novel compound, activities were plotted against the log concentration of the compound, adjusting to a sigmoid curve using GraphPad Prism software, and the IC50 value, defined as the concentration of compound required to inhibit 50% of POP activity, was determined from the resulting curve.
918	4	hERG Inhibition Studies	ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen Bioscience (Welwyn Garden City, England).
920	2	Inhibition of CYP-2C8	The inhibition of cytochrome P450 2C8-isoenzyme catalyzed deethylation of amodiaquine by the test compound is assayed at 37° C. with human liver microsomes. All assays are carried out on a robotic system in 96 well plates. The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), human liver microsomes (0.05 mg/mL), amodiaquine (1 &#956;M) and the test compound at five different concentrations or no compound (high control) in duplicate (e.g. highest concentration 10-50 &#956;M with subsequent serial 1:4 dilutions). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8° C. and subsequently by addition of one volume of acetonitrile. An internal standard solution the stable isotope d5-desethylamodiaquine is added after quenching of incubations. Peak area analyte (=metabolite formed) and internal standard is determined by LC-MS/MS. The resulting peak area ratio analyte to internal standard in these incubations is compared to a control activity containing no test compound. Within each of the assay runs, the IC50 of a positive control inhibitor (Montelukast) is determined. Experimental IC50 values are calculated by least square regression according to the following equation: % control activity=(100% control activity/(1+(I/IC 50)S))&#8722;B with I=inhibitor concentration; S=slope factor; B=background activity (lower plateau of the inhibition curve).
920	3	Inhibition of CYP-2C9	The inhibition of cytochrome P450 2C9-isoenzyme catalyzed hydroxylation of diclofenac by the test compound is assayed at 37° C. with human liver microsomes. All assays are carried out on a robotic system in 96 well plates. The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), human liver microsomes (0.1 mg/mL), diclofenac (10 &#956;M) and the test compound at five different concentrations or no compound (high control) in duplicate (e.g., highest concentration 10-50 &#956;M with subsequent serial 1:4 dilutions). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8° C. and subsequently by addition of one volume of acetonitrile. An internal standard solution the stable isotope 13C6-hydroxydiclofenac is added after quenching of incubations. Peak area analyte (=metabolite formed) and internal standard is determined by LC-MS/MS. The resulting peak area ratio analyte to internal standard in these incubations is compared to a control activity containing no test compound. Within each of the assay runs, the IC50 of a positive control inhibitor (sulfaphenazole) is determined. Experimental IC50 values are calculated by least square regression according to the following equation: % control activity=(100% control activity/(1+(I/IC 50)S))&#8722;B with I=inhibitor concentration; S=slope factor; B=background activity (lower plateau of the inhibition curve).
921	1	HCV Replicon Luciferase Assay	To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with HCV replicon cells (50 &#956;L at a density of 2.4×103 cells/well) in DMEM containing 4% FBS (final DMSO concentration at 0.5%). After 3 days incubation at 37° C., cells were analyzed for Renilla Luciferase activity using the EnduRen substrate (Promega cat #E6485) according to the manufacturer&#39;s directions. Briefly, the EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 &#956;M. The plates were incubated for at least 1 h at 37° C. then read on a Viewlux Imager (PerkinElmer) using a luminescence program. The 50% effective concentration (EC50) was calculated using the four-parameter logistic Formula noted above. To assess cytotoxicity of compounds, Cell Titer-Blue (Promega) was added to the EnduRen-containing plates and incubated for at least 4 hrs at 37° C. The fluorescence signal from each well was read using a Viewlux Imager. All CC50 values were calculated using the four-parameter logistic Formula.
922	1	TBD	TBD
923	1	S100A9-RAGE inhibition assay	Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor Beads in OptiplateWhen the biot-hS100A9+ compound incubation is finished the solutions are transferred to Optiplate (Optiplate 384 white, Perkin Elmer no. 6007299) and rhRAGE-Fc-Acceptor bead solution is added to each well (use green filtered light). The plate is covered with a plate seal and incubated in the dark in a plate incubator at 25° C. nominally for 40 minutes.Incubation of Biot-hS100A9+Compound Samples and rhRAGE-Fc-Acceptor and Donor Beads in OptiplateAfter incubation Donor bead solution is added to each well (use green filtered light). The plate is covered with a plate seal and incubated in the dark in a plate incubator at 25° C. nominally. After 50 minutes, the plate is incubated (in the dark) on the bench next to the EnVision instrument for 10 minutes, for temperature equilibrium.
924	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
925	1	ERalpha binding assay	The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays using a LanthaScreen Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, ThermoFisher, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain, residues 307-554 (expressed and purified in-house) were used to measure compound binding. The assay principle is that ER alpha -LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compounds&#39; ability to displace the fluorescent ligand resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation: 1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates. 2. Prepare 1× ER alpha LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes. 3. Dispense 6&#956;L of the 1× AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6&#956;L Fluorophore reagent into each well of the assay plate 4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours. 5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range. In total 120 nL of compound plus DMSO is added to each well and compounds were tested in a 12-point concentration response format over a final compound concentration range of 10, 2.917, 1.042, 0.2083, 0.1, 0.0292, 0.0104, 0.002083, 0.001, 0.0002917, 0.0001042, 0.00001 &#956;M respectively. TR-FRET dose response data obtained with each compound was exported into a suitable software package (such as Origin or Genedata) to perform curve fitting analysis. Competitive ER alpha binding was expressed as an IC50 value. This was determined by calculation of the concentration of compound that was required to give a 50% reduction in tracer compound binding to ER alpha-LBD.
926	1	HCV RdRp assays	HCV NS5B RdRp Enzyme Assay. An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal Biochem, 359: 106-111). The biotinylated oligo dT12 primer was captured on streptavidin-coupled imaging beads (GE, RPNQ0261) by mixing primer and beads in 1× buffer and incubating at room temperature for three hours. Unbound primer was removed after centrifugation. The primer-bound beads were resuspended in 3× reaction mix (20 mM Hepes buffer, pH 7.5, dT primer coupled beads, poly A template, 3H-UTP, and RNAse inhibitor (Promega N2515)). Compounds were serially diluted 1:3 in DMSO and aliquoted into assay plates. Equal volumes (5 &#956;L) of water, 3× reaction mix, and enzyme in 3× assay buffer (60 mM Hepes buffer, pH 7.5, 7.5 mM MgCl2, 7.5 mM KCl, 3 mM DTT, 0.03 mg/mL BSA, 6% glycerol) were added to the diluted compound on the assay plate. Final concentration of components in 384-well assay: 0.36 nM template, 15 nM primer, 0.29 &#956;M 3H-UTP (0.3 &#956;Ci), 1.6 U/&#956;L RNAse inhibitor, 7 nM NS5B enzyme, 0.01 mg/mL BSA, 1 mM DTT, and 0.33 &#956;g/&#956;L beads, 20 mM Hepes buffer, pH 7.5, 2.5 mM MgCl2, 2.5 mM KCl, and 0.1% DMSO.Reactions were allowed to proceed for 24 hours at 30° C. and terminated by the addition of 50 mM EDTA (5 &#956;L). After incubating for at least 15 minutes, plates were read on an Amersham LEADseeker multimodality imaging system.
927	1	Rho-kinase inhibition assay for ROC2 and ROCK1	Dose response curves for Rho-kinase inhibition were derived from a Invitrogen Z&#8242;-LYTE Kinase Assay Kit (Invitrogen catalog number PV3793). Purified active ROCK1 and ROCK2 were obtained from Invitrogen (catalog numbers ROCK1, PV3691 and ROCK2, PV3759). The kit components include a coumarin and fluorescein labeled peptide based on myosin light chain 2 (KKRPQRRYSNVF), a proprietary protease containing development reagent and a proprietary Stop buffer used to terminate the development reaction. The inhibitory activities of compounds are measured according to the manufactures protocol. Briefly, decreasing concentrations of test compounds or the known ROCK inhibitor Y-27963, are added, from 10 uM to 2.56×10&#8722;5 uM to reaction buffer containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 5 mM EGTA, and 0.05% Brij-35 and of ROCK1 at 0.18 ug/mL or ROCK2 at 0.8 ug/mL in assay dilution buffer. This mixture is overlayed into a white 96-well half area plate and the reaction is initiated with the addition of 5 uM ATP for ROCK1 or 12 uM ATP for ROCK2. The assay proceeds at room temperature for 1 hour followed by the addition of development reagent, and further incubation for 1 hour at room temperature. STOP reagent is then added and the reaction and immediately the coumarin and fluorescein emission signals are read on a Tecan Infinite M1000 fluorescence plate reader (excitation: 400 nm; emission 445 and 520 nm, respectively). By comparing the emission ratios of the test samples against control samples, percent phosphorylation values are calculated and the concentration of inhibitor that produces inhibition of kinase activity (IC50) is determined using Prism. Table 1 provides IC50 concentrations for compounds of the above examples. Several of the compounds also demonstrated activity in a preliminary assay that measured inhibition of myosin light chain phosphorylation (pMLC). For compounds marked ND, activity was not determinable under the test conditions employed.
929	1	Inhibition of Ca Flux Activity of 5-HT3 In Vitro Assay	The 5-HT3 antagonist activity of the compounds of the invention was determined by measuring the ability of the compounds to inhibit the calcium flux activity of 3HT3a receptor expressed in HEK-293T cells. HEK-293T cells were transfected with the 5-HT3a expression construct using Xtreme Gene 9 (Roche) in 150 mm tissue culture treated plates and incubated for 24 hours at 37° C. Cells were then split and plated at a density of 60K cells/well in poly-lysine coated, black 96-well plates with clear bottoms (BD BioSciences) and incubated overnight at 37° C. Growth media was removed and cells loaded with 200 uL calcium indicator dye in HBSS containing 20 mM HEPES (Calcium 5 Assay kit, Molecular Devices) and incubated at 37° C. for 1 hour. While cells were incubating, the 10× antagonist and agonist/antagonist addition plates were made. For 10× antagonist plate: half log serial dilutions (final concentrations range from 10&#8722;7 through 10&#8722;10 with the bottom well a negative, no ligand control) were made from test compounds in DMSO at a 1000× concentration and then diluted to 10× in HBSS/20 mM HEPES. For addition plate: 5HT was diluted to 100× in HBSS/20 mM HEPES (final concentration in the assay 216 nM) and 15 uL was added to each well of the addition plate, 15 uL of 10× compound was also added to the addition plate, and finally 120 uL of HBSS/20 mM HEPES (for a total of 150 uL). Cells were then removed from the incubator and equilibrated to room temperature for 10 minutes, then 22.5 uL of 10× test compounds were added in triplicate to the plates and incubated at room temperature for 10 minutes (Tropisetron was used as a positive control in every assay). Test plate and addition plate were loaded into the FlexStation III (Molecular Devices), and using the fluidics, 22.5 uL compound additions were made (at t= 17 seconds), and fluorescence was measured for 90 seconds, reading every 2.2 seconds. Data sets were analyzed as max minus min using Software Max Pro (Molecular Devices). IC50 curves were generated using non-linear regression in GraphPad Prism.
930	1	Infectivity Assay	Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc virus was prepared by co-transfection of two plasmids, pNLRLuc and pVSVenv. The pNLRLuc contains the NL-Rluc DNA cloned into pUC18 at the PvuII site, while the pVSVenv contains the gene for VSV G protein linked to an LTR promoter. Transfections were performed at a 1:3 ratio of pNLRLuc to pVSVenv in 293T cells using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer, and the pseudotype virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. This provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.).Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990). The anti-viral activity of compounds was evaluated under two serum conditions, 10% FBS, or 45 mg/ml human serum albumin/10% FBS, and the results from at least 2 experiments were used to calculate the EC50 values. 
931	1	 In Vitro JAK Kinase Assay	The compounds in Table A were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). The data for the JAK1 and/or JAK2 inhibitors were obtained by testing the compounds in the Example D assay at 1 mM ATP.
13138	1	MEK Inhibition Assay-2	Test compounds in 100% DMSO were screened in 1% DMSO (final) in the well. For 10 point titrations, 3-fold serial dilutions are conducted from the starting concentration of 30 μM.The peptide/kinase, MAP2K1 (MEK1)/inactive MAPK1 (ERK2)/Ser/Thr 03, mixture (“Peptide/kinase Mixture”) was diluted to a 2× working concentration in the following buffer (“Kinase Buffer”): 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL kinase reaction consisted of 0.06-0.25 ng MAP2K1 (MEK1), 105 ng inactive MAPK1 (ERK2), and 2 μM Ser/Thr 03 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour incubation, 5 μL of a 1:1024 dilution of Development Reagent A (available from Invitrogen, catalog no. PV3295) was added.ATP solutions were diluted to a 4× working concentration in Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). ATP Km apparent was previously determined using a Z′-LYTE assay. The Development Reagent was diluted in Development Buffer (available from Invitrogen, catalog no. P3127).Assay Protocol: 2.5 μL of 4× test compound or 100 nL of 100× Test Compound plus 2.4 μL Kinase Buffer, 5 μL of the 2× Peptide/Kinase Mixture, 2.5 μL of 4×ATP Solution were added to the plates and placed on a shake plate for 30-seconds. The kinase reaction was allowed to proceed for 60-minute at room temperature, before 5 μL of Development Reagent Solution was added, and the mixture agitated for 30-seconds on a shake plate. The mixture was incubated for 60-minute at room temperature. Fluorescence was measured using a plate reader and the data were analyzed.
13139	1	In Vitro Enzyme Activity Test of the Compounds of the Present Disclosure	The IC50 value was determined using 33P isotope-labeled kinase activity test (Reaction Biology Corp) to evaluate the inhibitory ability of the compounds to be tested on human FGFR1, FGFR2 and VEGFR2.Buffer conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO.Test steps: At room temperature, the compounds to be tested were dissolved in DMSO to prepare a 10 mM solution for use. The substrate was dissolved in the newly-prepared buffer, and the kinase to be tested was added thereto and mixed well. The DMSO solution in which the compounds to be tested were dissolved was added to the above-mentioned homogeneous reaction mixture using acoustic technology (Echo 550). The compound concentration in the reaction mixture was 10 μM, 2.50 μM, 0.62 μM, 0.156 μM, 39.1 nM, 9.8 nM, 2.4 nM, 0.61 nM, 0.15 nM, 0.038 nM or 3 μM, 1 μM, 0.333 μM, 0.111 μM, 37.0 nM, 12.3 nM, 4.12 nM, 1.37 nM, 0.457 nM, 0.152 nM. After incubating for 15 minutes, 33P-ATP (activity: 0.01 μCi/μL, with corresponding concentration listed in Table 4) was added to the reaction mixture to start the reaction. FGFR1, FGFR2, KDR and the concentration information in the reaction mixture were listed in Table 4. After the reaction was carried out at room temperature for 120 minutes, the reaction mixture was spotted on P81 ion exchange filter paper (Whatman #3698-915). After the filter paper was repeatedly washed with 0.75% phosphoric acid solution, the radioactivity of the phosphorylated substrate remaining on the filter paper was measured. The kinase activity data was expressed by comparing the kinase activity of the groups containing the compounds to be tested with that of the blank group (containing only DMSO). 
13140	1	HPK1 Lantha Binding Assay (“Lanth”)	Assay Condition:The following assay concentrations and times were used: 2 nM HPK1, 2 nM Eu-Anti-GST Ab, and 15 nM Tracer222, with 60 min incubation time.HPK Lantha Binding Assay:For the binding assay, 4 ul 2X HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 ul 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23 C incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters:TR_FRET, 340ex/615 and 665em; 100 usec Delay; and 200 usec integration.
934	1	Receptor Binding Assay	Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glucocorticoid Receptor Competitor Assay Kit, Invitrogen Part #2893). Briefly, purified human recombinant full-length glucocorticoid receptor (2 nM) was mixed with fluorescently labeled glucocorticoid (1 nM Fluormone GS Red) in the presence or absence of test compound. After two hour incubation at room temperature in the dark, the fluorescence polarization (FP) of the samples was measured. The FP of a mixture of receptor, fluorescent probe (i.e., Fluormone GS Red) and 5 &#956;M dexamethasone represented background fluorescence or 100% inhibition, whereas, the FP of the mixture without dexamethasone (but in the presence of vehicle) was taken to be 100% binding. The percentage inhibition of test compounds were then compared to the sample with 5 &#956;M dexamethasone and expressed as % relative binding activity with dexamethasone being 100% and no inhibition is 0%. Test compounds were analyzed in the concentration range from 8.5E-05 &#956;M to 5 &#956;M. Binding Assay (II):In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor assay kit, PanVera Co., Madison, Wis., P2816). Briefly, a cell lysate containing recombinantly expressed human full-length glucocorticoid receptor was mixed with a fluorescently labeled glucocorticoid (1 nM Fluormone GS1) in the presence or absence of test compound. After one hour at room temperature, the fluorescence polarization (FP) of the samples were measured. The FP of a mixture of receptor, fluorescent probe (i.e., Fluormone GS1) and 1 mM dexamethasone represented background fluorescence or 100% inhibition, whereas, the FP of the mixture without dexamethasone was taken to be 100% binding. The percentage inhibition of test molecules were then compared to the sample with 1 mM dexamethasone and expressed as % relative binding activity with dexamethasone being 100% and no inhibition is 0%. Test molecules were analyzed in the concentration range from 2.4 nM to 40 &#956;M.Site I binding assays for any NHR (Nuclear Hormone Receptor) are conducted similarly to the above. An appropriate cell lysate or purified NHR is used as the source of the NHR. The fluorescent probe and unlabeled competitor are appropriate for the specific NHR, i.e., are ligands for the specific NHR.
935	1	UBA6 AlphaScreen Assay	The UBA6 enzmatic reaction totals 20 &#956;L and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 &#956;M ATP, 60 nM Flag-Ubiquitin, 20 nM Biotin-his-Use1, and 0.15 nM recombinant human his-UBA6 enzyme. The enzymatic reaction mixture, with and without compound inhibitor, is incubated at 24° C. for 90 minutes in a 384 well plate before termination with 10 &#956;L of Stop/Detection buffer (50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 20 mM EDTA, 30 &#956;g/ml anti-FLAG Acceptor beads (Perkin Elmer), and 6 &#956;g/mL streptavidin donor beads (Perkin Elmer). After incubation for 2 hours at 24° C. in a dark room, quantification of the AlphaScreen signal is performed on the Pherastar (BMG).
936	1	Homogenous Time-Resolved Fluorescence Assay (HTRF1 Assay)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1xPBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6-His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3.
936	2	Homogenous Time-Resolved Fluorescence Assay (HTRF2 Assay)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1×PBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag&#153;-TrxA-6×His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3. All assay conditions remained the same as described above, with the exception of the following changes in reagent concentrations: 0.2 nM GST-hMDM2 (1-188), 0.5 nM biotinylated-p53 (1-83), 0.18 nM SA-XLent, and 100 mM KF.
933	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.In the context of the present invention the assay was performed in 60 uL assay buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20) containing enough PDE10A to convert 20-25% of 10 nM 3H-cAMP and varying amounts of inhibitors. Following a 1 hour incubation the reactions were terminated by addition of 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads were allowed to settle for one hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. IC50 values were calculated by non linear regression using XLfit (IDBS).
937	1	MAP4K4 Inhibition Assay	The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin protein (Leu-Gly-Arg-Asp-Lys-Tyr-Lys-Thr-Leu-Arg-Gln-Ile-Arg-Gln) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (IC50), compounds were serially diluted in DMSO and added to 10 uL kinase reactions containing 1 nM purified MAP4K4 enzyme, 1 uM peptide substrate, 10 uM ATP, 10 mM MgCl2, 1 mM EGTA, 50 mM Hepes pH 7.2, 1 mM DTT, 0.01% Triton X-100, and 2% DMSO. Reactions were incubated at room temperature in Perkin Elmer Proxiplates for 45 minutes and stopped by the addition of 10 uL of an EDTA-containing solution (50 mM Hepes pH 7.2, 40 mM EDTA, 0.02% Triton X-100). The fraction of phosphorylated peptide was determined as a fraction of total peptide substrate using the Caliper Lab Chip 3000 according to the manufacturer&#39;s instructions. IC50 values were determined using the four-parameter non-linear fit model.
938	1	Binding Assay	Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells were plated to cell density of approximately 15,000 cells/well in 384-well assay plates (50 &#956;l/well) with 1.5% low serum media (DMEM, 1.5% BCS, 1% L-glut (2 mM), 1% P/S).293 HEK cells, stably transfected with plasmids capable of expressing rat or mouse P2X7 receptor, were cultured by standard methods. Cells were plated to cell density of approximately 15,000 cells/well in 384-well assay plates (50 &#956;l/well) with 1.5% low serum media (DMEM, 1.5% FBS, 1% L-glut (2 mM), 10 mM HEPES, 1% P/S). Cells were plated 24 hours prior to assay. Cells expressing human, rat or mouse P2X7 receptor were assayed in the following manner.Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO4.2H2O (9.6 mM), HEPES (25 mM), sucrose (280 mM), glucose (5 mM), CaCl2 (0.5 mM), and probenecid (0.1425 g in 3 mL 1N NaOH was added for 500 mL solution)] in 384-well plates.293-rat P2X7 stable cells were incubated in HHPB (pH 7.4) [consisting of Hank&#39;s BSS (1×); HEPES (pH 7.4) (20 mM) (Sigma); probenecid (0.710 g/5 mL 1N NaOH) (Sigma); and BSA (0.05%) (Roche) which was added after the pH had been adjusted] in 384-well plates. Fluo-4 NW dye mix (Molecular Probes, Inc., Eugene, Oreg., USA) was prepared in buffer (see manufacturer&#39;s instructions). Cell plates were removed from the 37° C. incubator, the media discarded and then 30 &#956;L of dye was added to each well. Plates were placed in the 37° C., non-CO2 incubator for 30 minutes and then room temperature for 30 minutes.
939	1	Enzyme Inhibition Assay	Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, respectively). The fluorogenic peptide substrate Mca-D-Arg-Arg-Leu-Dap-(Dnp)-OH (Medeiros et al. (1997) Braz. J. Med. Biol. Res. 30:1157-62; Anaspec, San Jose, Calif.) and Abz-Phe-Arg-Lys(Dnp)-Pro-OH (Araujo et al. (2000) Biochemistry 39:8519-8525; Bachem, Torrance, Calif.) were used in the NEP and ACE assays respectively.The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).
940	1	Enzyme Assay	AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility shift assay. AXL catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-30 (5-FAM-KKKKEEIYFFF-CONH2, CPC Scientific, Sunnyvale, Calif.). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Human wild-type receptor tyrosine kinase protein Axl comprising residues 505-811 was produced in-house using the baculoviral expression vector system that incorporated a hexahistidine affinity tag into the protein (LJIC-1916B1.1). The enzyme was preactivated by auto-phosphorylation of 34 uM non-activated enzyme in the presence of 2 mM ATP, 4 mM MgCl2, 50 mM NaCl and 1 mM TCEP in 20 mM HEPES, pH 7.3 at 4° C. for 30 minutes. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 120 &#956;M ATP (ATP Km=70.4 &#956;M), 0.01% Tween-20, 3 &#956;M FL-Peptide-30, and 0.5 nM phosphorylated AXL enzyme in 100 mM HEPES buffer at pH 7.3. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 30 minutes at 25° C. by the addition of 50 &#956;L of 200 mM EDTA, pH 7.5. The Ki values were determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable. (See, Morrison, J. F. (1969) Kinetics of the reversible inhibition of enzyme-catalysed reactions by tight-binding inhibitors, Biochimica et biophysica acta 185, 269-286; and Murphy, D. J. (2004) Determination of accurate KI values for tight-binding enzyme inhibitors: an in silico study of experimental error and assay design, Analytical biochemistry 327, 61-67.)
942	1	Amplified Luminescence Proximity Homogeneous Assay	B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 10 &#956;l per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.5 &#956;l of 40× of a compound of the invention diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature.The B-Raf kinase activity reaction was started by the addition of 10 &#956;l per well of 2×ATP (10 &#956;M) diluted in assay buffer. After 3 hours, the reactions were stopped with the addition of 10 &#956;l of stop reagent (60 mM EDTA, 0.01% Tween20). Phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 30 &#956;l to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:1000 dilution of both beads) in bead buffer (50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and the plate was incubated for 1 hour at room temperature. The luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
943	1	Amplified Luminescence Proximity Homogeneous Assay	B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 10 &#956;l per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.5 &#956;l of 40× of a compound of the invention diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature.The B-Raf kinase activity reaction was started by the addition of 10 &#956;l per well of 2×ATP (10 &#956;M) diluted in assay buffer. After 3 hours, the reactions were stopped with the addition of 10 &#956;l of stop reagent (60 mM EDTA, 0.01% Tween20). Phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 30 &#956;l to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:1000 dilution of both beads) in bead buffer (50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and the plate was incubated for 1 hour at room temperature. The luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
944	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1×HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37° C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30° C. for 30 min. Compounds were added to a final assay volume of 100 &#956;l and incubated for 30 min at 30° C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &#956;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &#956;l detection solutions (20 &#956;M mAb Alexa700-cAMP 1:1, and 48 &#956;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 &#956;M to 0.13 nM cAMP.
945	1	Radioligand Binding Assay	Affinity at transmembrane glutamate metabotropic mGluR5 receptor subtypes was evaluated according to the methods of Anderson (Anderson et al., J Pharmacol. Exp. Ther., (2002), Vol. 303(3), pp. 1044-51), with some modifications. Cloned mGluR5 was obtained by re-suspending CHO T-REx h-mGluR5 cells (50 &#956;g/well) in 20 mM HEPES, 2 mM MgCl2, 2 mM CaCl2, pH 7.4, that then were incubated in a final volume of 1 ml for 60 min at 25° C. with 4 nM [3H]MPEP in the absence or presence of competing drugs. Non-specific binding was determined in the presence of 10 mM MPEP. The incubation was stopped by addition of cold Tris buffer pH 7.4 and rapid filtration through 0.2% polyethyleneimine pretreated Filtermat 1204-401 (Perkin Elmer) filters. The filters were then washed with cold buffer and the radioactivity retained on the filters was counted by liquid scintillation spectrometry (Betaplate 1204 BS-Wallac).
946	1	ERalpha Binding Assay	The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays using a LanthaScreen Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain (Product code PV4543) were purchased from Invitrogen and used to measure compound binding. The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compounds&#39; ability to displace the fluorescent ligand resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation: 1. Acoustic dispense 120 nl of the test compound into a black low volume 384 well assay plates.2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 20 minutes.3. Add 1× fluorophore to the ER alpha-LBD/Tb-antiGST Ab solution prior to use.4. Dispense 12 &#956;l of the 1×AR-LBD/Tb-anti-GST Ab/Fluorophore reagent into each well of the assay plate5. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 1 hour.6. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 &#956;M and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range. In total 120 nL of compound plus DMSO is added to each well and compounds were tested in a 12-point concentration response format over a final compound concentration range of 100, 29.17, 10.42, 2.083, 1, 0.292, 0.104, 0.02083, 0.01, 0.002917, 0.001042, 0.0001 &#956;M, respectively. TR-FRET dose response data obtained with each compound was exported into a suitable software package (such as Origin or Genedata) to perform curve fitting analysis. Competitive ER alpha binding was expressed as an IC50 value. This was determined by calculation of the concentration of compound that was required to give a 50% reduction in tracer compound binding to ER alpha-LBD.
950	1	ROS Production Measurement on hNOX1 Membranes	All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &#956;M FAD, 15 &#956;M PA, 1 mM MgCl2, 12.5 &#956;M AR, 0.02 u/ml, 125 ng membranes, 1.5 &#956;g of cofactors and 30 &#956;M NADPH.The NADPH was dissolved in water at a concentration of 12 mM and was transferred in a metal transfer plate kept at 4° C. The NADPH was added to the assay plate to initiate the reaction just before the measurement.
952	1	YFP-Halide Influx Assay	YFP-Halide Influx Assay for the CFTR-&#916;F508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionality of the Cystic Fibrosis Transmembrane Conductance regulator (CFTR) channels in the cystic fibrosis bronchial epithelium cell line CFBE4lo&#8722;. The fluorescence of the yellow fluorescent protein (YFP) variant YFP H148Q, I152L or variant YFP H148Q, I152L & F47L is substantially quenched by iodine, a halide that is efficiently transported by CFTR. The assay is thus used to evaluate the effect of corrector compounds on CFTR channel function by measuring the extent of YFP signal quenching. (Galietta et al. American Journal of Physiology Cell Physiology Vol. 281 no. 5, C1734-C1742, 2001; Nagai et al., Nat Biotechnol. 2002 January; 20(1):87-90.)For this purpose, HEK293 cells are transfected with plasmid DNA containing F508del CFTR, F508del/I539T CFTR or F508del/G550E CFTR and seeded in 96 well plates (70,000 HEK cells/well). The next day, cells are treated with test compounds.Cells are treated with test compounds for 24 h at 37° C. to allow trafficking of corrected CFTR to the membrane.The next day the CFTR channels are activated by treatment with the cAMP inducer forskolin (10.67 &#956;M) and potentiator GLPG1837 (0.5 &#956;M) in 1×D-PBS (from Gibco, Cat n#14090-091) for 20 minutes prior to addition of an I&#8722; solution (137 mM NaI, 2.7 mM KI, 1.76 mM KH2PO4, 10.1 mM Na2HPO4, 5 mM glucose). The I&#8722; induced quenching of fluorescence is recorded immediately after injection of for 7 seconds. The capacity of a compound to increase number of channels, and therefore overall halide influx is directly correlated with the decrease in fluorescence, and is expressed as (1&#8722;(fluorescence after 7 seconds (F)/fluorescence before injection (F0))) and an EC50 can be derived from a (1-F/F0) vs compound concentration plot.
952	2	YFP-Halide Influx Assay for the CFTR-WT	For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days after transfection, cells are treated with test compounds.The CFTR channels are activated by treatment with the cAMP inducer forskolin (10.67 &#956;M) and a dose response of test compounds in 1×D-PBS (from Gibco, Cat n#14090-091) for 20 minutes prior to addition of an F solution (137 mM NaI, 2.7 mM KI, 1.76 mM KH2PO4, 10.1 mM Na2HPO4, 5 mM glucose). The I&#8722; induced quenching of fluorescence is recorded immediately after injection of for 7 seconds. The impact of a compound on the channel functionality can be measured by looking at the effect on fluorescence, and is expressed as (1-(fluorescence after 7 seconds (F)/fluorescence before injection (F0))) and an EC50 can be derived from a (1&#8722;F/F0) vs compound concentration plot.
952	3	Back Scattering Interferometry Technology (BSI)	To measure the direct binding of small molecules with CFTR, the interaction between small molecules and membrane fragments derived from HEK293 cells over-expressing WT CFTR was investigated on the TruBind BSI System.HEK293 containing WT CFTR and HEK293 control membrane fractions were prepared as follows. HEK293 were transiently transfected with WT CFTR or left untreated, washed with PBS and collected in cold PBS supplemented with protease inhibitor cocktail (PIC). Cells were centrifuged and resuspended in homogenisation buffer (15 mM Tris-HCl pH 7.5, 2 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA+protease inhibitors). For compound testing HEK293 WT CFTR or HEK293 membrane fractions, at final concentration of 10 &#956;g/mL in 50 mM Tris-HCl pH 7.5, 1 mM EDTA with 1.2% DMSO were mixed 1/1 with a serial dilution of the compound, starting from 10 &#956;M, in 50 mM Tris-HCl pH 7.5, 1 mM EDTA with 1.2% DMSO. Mixtures were incubated at room temperature for 4 hours before being run on the BSI instrument. Samples were measured in quadruplicate in dual channel mode which allows the simultaneous measurement of specific, WT CFTR membranes (assay), as well as unspecific, control membranes (reference). For each assay the reference data is subtracted, point by point, from the assay data and plotted as fringe shift in units of radions. Each compound was run to have at least two successful experiments with good reproducibility. Success was defined as having a binding signal with a R2>0.7. The final data is exported to Graphpad Prism and fit with a one-site binding equation to determine a Kd for the assay. The data obtained using the method demonstrates clearly that the test compound as defined in the present claims directly bind to CFTR with low Kd.
956	1	HCT116 TOPFlash Assay	In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 &#956;L growth medium. Selective inhibitory activity for small molecules on the mutated Wnt pathway was determined after parallel incubation of both (TOP and FOP) HCT116 reporter cell lines with a compound dilution series from 50 &#956;M to 15 nM in steps of 3.16-fold dilutions in CAFTY buffer (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 5 mM NaHCO3, pH 7.4) containing 2 mM Ca2+ and 0.01% BSA. The compounds were thereby serially prediluted in 100% DMSO and thereafter in addition 50 fold into the CAFTY compound dilution buffer (described above). From this dilution 10 &#956;L were added to the cells in 30 &#956;L growth medium and incubated for 36 hours at 37° C. and 5% CO2. Thereafter luciferase assay buffer (1:1 mixture of luciferase substrate buffer (20 mM Tricine, 2.67 mM MgSO4, 0.1 mM EDTA, 4 mM DTT, 270 &#956;M Coenzyme A, 470 &#956;M Luciferin, 530 &#956;M ATP, ph adjusted to pH 7.8 with a sufficient volume of 5M NaOH) and Triton buffer (30 mL Triton X-100, 115 mL glycerol, 308 mg Dithiothreitol, 4.45 g Na2HPO4.2H2O, 3.03 g TRIS HCl, ad 1I H2O, pH 7.8) was added as equal volume to the compound solution on the cells to determine luciferase expression as a measure of Wnt signaling activity in a luminometer.n order to determine the inhibitory activity of compounds for the WT Wnt signaling pathway, the Super TopFlash vector were cotransfected with pcDNA3 into HEK293 cells.
956	2	HCT116 FOPFlash 	In preparation of the assay, the two cell lines were plated 24 hours before at 10000 cells per well of a 384 micro titre plate (MTP) in 30 &#956;L growth medium. Selective inhibitory activity for small molecules on the mutated Wnt pathway was determined after parallel incubation of both (TOP and FOP) HCT116 reporter cell lines with a compound dilution series from 50 &#956;M to 15 nM in steps of 3.16-fold dilutions in CAFTY buffer (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 5 mM NaHCO3, pH 7.4) containing 2 mM Ca2+ and 0.01% BSA. The compounds were thereby serially prediluted in 100% DMSO and thereafter in addition 50 fold into the CAFTY compound dilution buffer (described above). From this dilution 10 &#956;L were added to the cells in 30 &#956;L growth medium and incubated for 36 hours at 37° C. and 5% CO2. Thereafter luciferase assay buffer (1:1 mixture of luciferase substrate buffer (20 mM Tricine, 2.67 mM MgSO4, 0.1 mM EDTA, 4 mM DTT, 270 &#956;M Coenzyme A, 470 &#956;M Luciferin, 530 &#956;M ATP, ph adjusted to pH 7.8 with a sufficient volume of 5M NaOH) and Triton buffer (30 mL Triton X-100, 115 mL glycerol, 308 mg Dithiothreitol, 4.45 g Na2HPO4.2H2O, 3.03 g TRIS HCl, ad 1I H2O, pH 7.8) was added as equal volume to the compound solution on the cells to determine luciferase expression as a measure of Wnt signaling activity in a luminometer.n order to determine the inhibitory activity of compounds for the WT Wnt signaling pathway, the Super FopFlash vector were cotransfected with pcDNA3 into HEK293 cells.
956	3	HEK TOP OncoFlash Assay	In preparation of the assay, the two cell lines were plated 24 hours before beginning the test at 10000 cells per well in a 384 micro titre plate (MTP) in 30 &#956;l growth medium. Before compound testing a dose response curve for the Wnt dependent luciferase expression was recorded by stimulating the assay cell line with human recombinant Wnt-3a (R&D, #5036-WN-010) at different concentrations for 16 hours at 37° C. and 5% CO2 followed by subsequent luciferase measurement, to determine the Wnt-3a EC50 for the HEK293 TOP cell line on the day of testing. The recombinant human Wnt-3a was thereby applied between 2500 and 5 ng/ml in two-fold dilution steps. Selective inhibitory activity for small molecules on the wildtype Wnt pathway was determined after parallel incubation of both (TOP and FOP) HEK293 reporter cell lines with a compound dilution series from 50 &#956;M to 15 nM in steps of 3.16-fold dilutions in CAFTY buffer (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 5 mM NaHCO3, pH 7.4) containing 2 mM Ca2+ and 0.01% BSA.The compounds were thereby serially prediluted in 100% DMSO and thereafter 50 fold into the CAFTY compound dilution buffer (described above). From this dilution 10 &#956;l were added in combination with the EC50 concentration of recombinant Wnt3a to the cells in 30 &#956;l growth medium and incubated for 16 hours at 37° C. and 5% CO2. Thereafter luciferase assay buffer (1:1 mixture of luciferase substrate buffer (20 mM Tricine, 2.67 mM MgSO4, 0.1 mM EDTA, 4 mM DTT, 270 &#956;M Coenzyme A, 470 &#956;M Luciferin, 530 &#956;M ATP, ph adjusted to pH 7.8 with a sufficient volume of 5M NaOH) and Triton buffer (30 ml Triton X-100, 115 ml glycerol, 308 mg Dithiothreitol, 4.45 g Na2HPO4. 2H2O, 3.03 g TRIS HCl (CAS Number 1185-53-1), ad 1I H2O, pH 7.8) was added in an equal volume to determine luciferase expression as a measure of Wnt signaling activity in a luminometer. The Wnt inhibitory activity was determined as IC50 of resulting dose response curves.
956	4	HEK FOP Assay	HEK293 cells were cotransfected with the FOP control vector and pcDNA3. The FOP vector is identical to the TOP construct, but it contains instead of functional TCF elements a randomized, non-functional sequence
957	1	Enzyme Inhibition Assays	Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, respectively). The fluorogenic peptide substrate Mca-D-Arg-Arg-Leu-Dap-(Dnp)-OH (Medeiros et al. (1997) Braz. J Med. Biol. Res. 30:1157-62; Anaspec, San Jose, Calif.) and Abz-Phe-Arg-Lys(Dnp)-Pro-OH (Araujo et al. (2000) Biochemistry 39:8519-8525; Bachem, Torrance, Calif.) were used in the NEP and ACE assays respectively.The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).Plates were read on a fluorometer with excitation and emission wavelengths set to 320 nm and 405 nm, respectively. Inhibition constants were obtained by nonlinear regression of the data using the equation (GraphPad Software, Inc., San Diego, Calif.):&#957;=&#957;0/[1+(I/K&#8242;)]where &#957; is the reaction rate, &#957;0 is the uninhibited reaction rate, I is the inhibitor concentration and K&#8242; is the apparent inhibition constant. 
958	1	HCV Replicon Luciferase Assay	To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with HCV replicon cells (50 &#956;L at a density of 2.4×103 cells/well) in DMEM containing 4% FBS (final DMSO concentration at 0.5%). After 3 days incubation at 37° C., cells were analyzed for Renilla Luciferase activity using the EnduRen substrate (Promega cat #E6485) according to the manufacturer&#39;s directions. Briefly, the EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 &#956;M. The plates were incubated for at least 1 h at 37° C. then read on a Viewlux Imager (PerkinElmer) using a luminescence program. The 50% effective concentration (EC50) was calculated using the four-parameter logistic formula noted above.To assess cytotoxicity of compounds, Cell Titer-Blue (Promega) was added to the EnduRen-containing plates and incubated for at least 4 hrs at 37° C. The fluorescence signal from each well was read using a Viewlux Imager. All CC50 values were calculated using the four-parameter logistic formula.
964	1	GPR40 Calcium Flux Assay	Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum, 1×L-Glutamine, 1×Penicillin/Streptomycin and 500 &#956;g/mL G418. Rat GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum and 1 &#956;g/mL puromycin. Cells were plated into poly-D-lysine coated 384-well plates and cultured overnight in a 37° C. humidified tissue culture incubator under 5% CO2/90% O2 atmosphere. On the day of the experiment, the culture media was replaced with assay buffer (HBSS, 20 mM HEPES, 0.1% BSA) and the cells incubated at 37° C. for 1 h. Calcium-sensitive fluorescent dye (Fluo 8 No-Wash Calcium Dye, ABD Bioquest) was then added and the cells incubated for another 30 min at 37° C. followed by 15 min at room temperature while protected from the light. The cell plate and a plate of diluted compounds of Formula (I) were loaded into a fluorescent plate reader that added compounds onto the cells while measuring the fluorescence intensity of each well. The plate reader recorded fluorescence intensity at 1 second intervals for 8 min and provided the data for analysis in an Excel format. EC50 values were calculated using Prism (GraphPad) software.
966	1	Inositol Phosphate Turnover (IP1) Assay	The assay is performed in 384-well format. HEK cells stably expressing human GPR40 are plated at 15,000 cells per well in growth medium (DMEM/10% fetal calf serum). Cell plates are then incubated 16 hours at 37 degrees in a 5% CO2 incubator.Measurement of Inositol Phosphate Turnover (IP1) is performed using the CisBio IP-One kit (Part number 62IPAPEB). After the 16 hour incubation, the cells are washed with HEPES buffer and 10 ul of stimulation buffer (prepared as described in the kit) is added to each well. In a separate plate, compounds are diluted in DMSO (400-fold over the final concentration in the assay well) and 25 nl is acoustically transferred to the appropriate well in the assay cell plate. The plates are then incubated for 60 minutes at 37 degrees. 10 ul of detection buffer (also prepared as described in the IP-One kit) is added to each well and the plates are incubated for 60 minutes in the dark. The plates are then read in a Perkin Elmer EnVision or equivalent reader able to measure FRET. Fluorescent ratio of emission at 665 and 620 nm is then converted to IP1 concentration by back calculating from an IP1 standard curve prepared at the time of the assay.
966	2	FLIPR Assay	FLIPR (Fluorimetric Imaging Plate Reader, Molecular Devices) assays were performed to measure agonist-induced calcium mobilization of the stable clones. For the FLIPR assay, one day before assay, GPR40/CHO NFAT BLA cells were seeded into black-wall-clear-bottom 384-well plates (Costar) at 1.4×10e4 cells/20 &#956;L medium/well. The cells were incubated with 20 &#956;l/well of the assay buffer (HBSS, 0.1% BSA, 20 mM HEPES, 2.5 mM probenecid, pH 7.4) containing 8 &#956;M fluo-4,AM, 0.08% pluronic acid at room temperature for 100 minutes. Fluorescence output was measured using FLIPR. Compounds were dissolved in DMSO and diluted to desired concentrations with assay buffer. 13.3 &#956;L/well of compound solution was added.
967	1	Cell Adhesion Assay 	A panel of cell lines and integrin ligands were developed to allow rapid examination of potency and specificity of inhibitors against all 8 integrins that recognize RGD sequences in ligands. A subset of these was used to generate the very encouraging data about 8 shown above. These cell lines were used to calculate IC50 concentrations for each inhibitor synthesized to rapidly generate structure activity information to drive subsequent modification and synthesis. Inhibitors were evaluated for showing better potency/selectivity in CCl4-induced liver fibrosis. 
968	1	ERalpha Binding Assay	The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compound&#39;s ability to displace the fluorescent ligand, resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates.2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes.3. Dispense 6 &#956;L of the 1×AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours.5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.In total 120 nL of compound plus DMSO were added to each well and compounds were tested in a 12-point concentration response format over a final compound concentration range of 10, 2.917, 1.042, 0.2083, 0.1, 0.0292, 0.0104, 0.002083, 0.001, 0.0002917, 0.0001042, and 0.00001 &#956;M respectively. TR-FRET dose response data obtained with each compound was exported into a suitable software package (such as Origin or Genedata) to perform curve fitting analysis. Competitive ER alpha binding was expressed as an IC50 value.
968	3	hERG Binding Assay	hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a blockage of hERG channels by a diverse group of drugs. This side effect is a common reason for drug failure in preclinical safety trials [Sanguinetti et al., Nature, 2006, 440, 463-469.] and therefore minimisation of hERG channel blocking activity may be a desirable property for drug candidates.The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the human ether go go-related gene (hERG) using a constitutively expressing CHO cell line on the Nanion Syncropatch 384PE automated patch clamp system.
969	1	In Vitro Enzyme Inhibition Assay - LSD-1	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1 nM LSD1, 50 nM H3K4mel-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4mel-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
974	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation.Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#8722;1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data.
975	1	Chamber Electrophysiology Assay of CFTR Potentiation in CF Bronchial Epithelial Cells	Primary cystic fibrosis human bronchial epithelial (CF hBE) cells were expanded and cultured according to published methods (Neuberger et al., Ch. 4 of Cystic Fibrosis, Methods in Molecular Biology vol. 741, pp. 39-54 (2011)). Well-differentiated cells (>30 days at air/liquid interface) on Snapwell filters (Corning Costar, cat. no. 3801) were mounted in Ussing chambers (Physiologic Instruments, Inc., San Diego, Calif.). F508del/F508del cultures were assayed at 27° C. and G551D/F508del cells were assayed at 35° C. HEPES buffered physiological saline (composition (in mM): 137 NaCl, 4 KCl, 1 MgCl2, 1.8 CaCl2, 10 HEPES Na) was used in both apical and basolateral chambers. Chambers were bubbled with air to promote mixing and the voltage was clamped to zero. Amiloride (30 uM), forskolin (10 uM), test compound (4 increasing concentrations), and CFTRinh-172 (20 uM) were added sequentially with 20-25 minutes between additions. Short-circuit currents were acquired and analyzed using LabScribe2. Test compound responses were scaled relative to responses for DMSO (0%) and the maximal response of a positive control potentiator (100%).
975	2	FRT Ion Flux Assay of F508del CFTR Potentiation	Fischer rat thyroid (FRT) cell lines stably expressing recombinant F508del V470 CFTR and halide-sensitive yellow fluorescent protein (Pedemonte et al., J. Clin. Invest. 115(9) 2564-71 (2005)) were seeded at 25,000 cells/well in 50 uL/well of culture medium into black-walled, clear bottom tissue-culture-treated 384-well plates (Corning, cat. no. 3712). After one day, the cells were pre-incubated at 27° C./5% CO2 for 16-24 hours. The cells were then washed with dPBS and treated with forskolin (20 uM) and test compound for 30 min by addition of 20 uL of compound dilution buffer (dPBS containing forskolin and test compound). Plates were loaded into FLIPR384 fluorescence imaging plate reader (Molecular Devices). After an initial fluorescence reading, iodide buffer (25 uL) (composition (in mM): 137 NaI, 1.5 K2PO4, 8.1 NaH2PO4, 2.7 KCl, 0.5 MgCl2, 1 CaCl2) was added and a second fluorescence reading was made after approximately 21 seconds. Data treatment involved division of the second fluorescence reading by the initial fluorescence reading, then scaling of the resulting normalized endpoint fluorescence with respect to the responses for DMSO (0%) and a positive control potentiator (100%).
976	1	Antiviral Activity	Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid handler (Labcyte, Sunnyvale, Calif.). 200 nL of compound stock solutions (100% DMSO) were transferred to the assay plates. 9 serial 4-fold dilutions of compound were made, creating per quadrant the same compound concentration. The assay was initiated by adding 10 &#956;L of culture medium to each well (RPMI medium without phenol red, 10% FBS-heat inactivated, 0.04% gentamycin (50 mg/mL). All addition steps are done by using a multidrop dispenser (Thermo Scientific, Erembodegem, Belgium). Next, rgRSV224 virus (MOI=1) diluted in culture medium was added to the plates. rgRSV224 virus is an engineered virus that includes an additional GFP gene (Hallak L K, Spillmann D, Collins P L, Peeples M E. Glycosaminoglycan sulfation requirements for respiratory syncytial virus infection; Journal of virology (2000), 74(22), 10508-13) and was in-licensed from the NIH (Bethesda, Md., USA). Finally, 20 &#956;L of a HeLa cell suspension (3,000 cells/well) were plated. Medium, virus- and mock-infected controls were included in each test. The wells contain 0.05% DMSO per volume. Cells were incubated at 37° C. in a 5% CO2 atmosphere. Three days post-virus exposure, viral replication was quantified by measuring GFP expression in the cells by an in house developed MSM laser microscope (Tibotec, Beerse, Belgium). The EC50 was defined as the 50% inhibitory concentration for GFP expression. In parallel, compounds were incubated for three days in a set of white 384-well microtiter plates (Corning) and the cytotoxicity of compounds in HeLa cells was determined by measuring the ATP content of the cells using the ATPlite kit (Perkin Elmer, Zaventem, Belgium) according to the manufacturer&#39;s instructions. The CC50 was defined as the 50% concentration for cytotoxicity.
977	1	DLK TR-FRET Inhibition Assay	DLK kinase reactions (20 &#956;L) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-terminally HIS tagged MKK4 K131M substrate, and 30 &#956;M ATP in kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Triton X-100, 0.01% Bovine &#947;-Globulins, 2 mM DTT, 10 mM MgCl2 and 1 mM EGTA), and testing compound 1:3 serial diluted starting at 20 uM were incubated at ambient temperature for 60 minutes in 384 well OptiPlate (Perkin Elmer). To quench kinase reactions and detect phosphorylated MKK4, 15 &#956;L of TR-FRET antibody mixture containing 2 nM anti-phosphorylated MKK4 labeled with Europium cryptate (Cisbio) and 23 nM anti-HIS labeled with D2 (Cisbio) in detection buffer (25 mM Tris pH 7.5, 100 mM NaCl, 100 mM EDTA, 0.01% Tween-20, and 200 mM KF) was added to the reaction mixture. The detection mixture was incubated for 3 hours at ambient temperature and the TR-FRET was detected with an EnVision multilabel plate reader (Perkin-Elmer) using the LANCE/DELFIA Dual Enh label from Perkin-Elmer (excitation filter: UV2 (TRF) 320 and emission filters: APC 665 and Europium 615). 
978	1	In Vitro V2 Receptor Assay	Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an h V2 receptor expression DNA into HEK-293 (human embryonic kidney 293 cell line) cells in concert with a reporter DNA containing intracellular calcium responsive promoter elements regulating expression of firefly luciferase. See Boss, V., Talpade, D. J., Murphy, T. J. J. Biol. Chem. 1996, May 3; 271(18), 10429-10432 for further guidance on this assay. Cells were exposed to serial dilutions of compounds diluted 10-fold per dose for 5 h, followed by lysis of cells, determination of luciferase activity, and determination of compound efficacies and EC50 values through non-linear regression. Desmopressin (dDAVP) was used as an internal control in each experiment.
978	2	In Vitro V1b Receptor Assay	To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). Agonist activity of compounds on the hV1bR was determined in a transcriptional reporter gene assay in a Flp-In 293 cell line (HEK-flpin) stably transfected to express the hV1bR. These cells are transiently transfected with an NFAT responsive elements-luciferase (NFAT-Luc) reporter. Cells were exposed to serial dilutions of compounds diluted 10-fold per dose for 5 hours, followed by lysis of cells, determination of luciferase activity, and determination of compound efficacies and EC50 values through non-linear regression. AVP was used as an internal control in each experiment.
979	1	Pharmacological Assay	IP1 accumulation measurements using the IPOne assay system 1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h before the assay in white 384-well plates in culture medium containing 10% FCS, 1% Na-Pyruvate and 400 &#956;g/mL G418. IP1 is assayed according to the manufacturer&#39;s description (Cisbio Bioassays, France). In brief, the assay is started by substitution of the culture medium by stimulation buffer (Hepes 10 mM, CaCl2 1 mM, MgCl2 0.5 mM, KCl 4.2 mM, NaCl 146 mM, glucose 5.5 mM and LiCl 50 mM, pH 7.4). Cells are stimulated for 1 h at 37° C., 5% CO2 by addition of the compounds that are diluted in stimulation buffer containing LiCl. Assays are stopped by adding HTRF-conjugates (IP1-d2 and Anti-IP1 cryptate Tb) and lysis buffer, provided by the manufacturer. After an incubation time of 1 h at room temperature plates are measured using an EnVision, Perkin Elmer. The obtained fluorescence ratios at 665/615 nM are then used to calculate the pEC50 values using Assay Explorer 3.3 Software (Accelrys, Inc.) by interpolation using an IP1 reference curve and subsequent sigmoidal curve fitting allowing for a variable hill slope.
980	1	FLT3 Kinase Assay	i. Enzyme The assay was performed using FLT3 cytoplasmic domain product and purified in house as GST fused protein. The FLT3 protein (1 microM) was pre activated with 800 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. FLT3 Kinase Buffer (KB)&#151;Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 4 mM MgCl2, 1 mM DTT, 10 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay conditions The FLT3 kinase assay was run with a final pre activated enzyme concentration of 2 nM, in the presence of 254 microM ATP (residual ATP from KIT pre activation step is negligible), 8 nM 33P-&#947;-ATP and 55 microM of substrate BioDB n*24 (Aminoacidic sequence: GGKKKVSRSGLYRSPSMPENLNRPR-SEQ ID NO: 1). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).
980	2	KIT Kinase Assay	i. Enzyme The assay has been performed using KIT cytoplasmic domain product and purified in house as GST fused protein. The KIT protein (4.5 microM) was pre activated with 300 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. KIT kinase Buffer (KB) Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 5 mM MgCl2, 1 mM MnCl2, 10 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay conditions The KIT kinase assay was run with a final pre activated enzyme concentration of 4 nM, in the presence of 4.4 microM ATP (residual ATP from KIT pre activation step is negligible), 3.9 nM 33P-&#947;-ATP and 2.5 microM of substrate BioDB n*138 (Aminoacidic sequence: KVVEEINGNNYVYIDPTQLPYDHKWEFPRNR-SEQ ID NO: 2). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).
981	1	In Vitro cPLA2 Assay	Assay for cPLA2 activity was performed by the use of sonicated vesicles of 1-palmitoyl-2-arachidonoyl-sn-glycerol-3-phosphorylcholine (100 &#956;M) containing 100,000 cpm of 1-palmitoyl-2-[1 14C]arachidonoylsn-glycerol-3-phosphorylcholine in 100 mM Hepes, pH 7.5, 80 &#956;M Ca2, 2 mM dithiothreitol, and 0.1 mg/ml BSA as described. Following a 35-mM incubation at 37° C., the reaction was terminated (derived from Wijkander et al). The lower phase was separated by thin layer chromatography, and the spot corresponding to free [1-14C]arachidonic acid was visualized by digital imaging and quantified with a PhosphorImager (Fuji Instruments). The source of cPLA2 enzyme was recombinant overexpression of the human gene for group IVa PLA2 in baculovirus insect cell expression system, as described in Abdullah et al. Wijkander, J., and Sundler, R. (1991) Eur. J. Biochem. 202, 873-880 Abdullah, K., et al. (1995) Human cytosolic phospholipase A2 expressed in insect cells is extensively phosphorylated on Ser-505. Biochim Biophys Acta. 1995 May 11; 1244(1):157-64.
982	1	Reporter Gene Assay	Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase). As a control assay, normal Hek293 transfected with pNifty-Luc were used. Cells were cultured in DMEM supplemented with 2 mM L-glutamine, 10% heart inactivated FBS, 1% penicillin and streptomycin, 2 &#956;g/ml puromycin (InvivoGen #ant-pr-5) and 5 &#956;g/ml of blasticidin (Invitrogen #46-1120). Bright-Glo&#153; Luciferase assay buffer and substrate were supplied by Promega #E263B and #E264B (assay substrate and buffer respectively). 384 well clear-bottom plates were supplied by Greiner bio-one (#789163-G) and were custom bar-coded plates.
983	1	Electrophysiological Assay	Current recording was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The operation was conducted in accordance with the operating procedure of the system. A Dulbecco&#39;s phosphate buffer containing calcium and magnesium (Sigma) was used as extracellular fluid, and a low Cl-buffer (100 mM K-gluconate, 40 mM KCl, 3.2 mM MgCl2, 5 mM EGTA, 5 mM Hepes, pH 7.3) was used as intracellular fluid. A test compound was dissolved in dimethylsulfoxide (DMSO) to prepare a 30 mM stock solution, so as to produce 4-fold serial dilutions with the extracellular fluid for attaining a DMSO concentration of 0.3% in measurement.The hNav 1.7/&#946;1/&#946;2 cells cultured to a 70-80% confluent state in a T150 flask (Sumilon) were washed with PBS and subsequently with versene (Invitrogen Corp.), and collected by allowing to react with 0.05% trypsin (Invitrogen Corp.) at 37° C. for 3 minutes. After washing with culture medium, the resultant cells were suspended in extracellular fluid at a concentration of 2×10&#8722;6 cells/ml so as to be used for the measurement. The cell membrane was perforated by using intracellular fluid including 100 &#956;g/ml amphotericin B (Sigma).
984	1	Pharmacological Assay	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are designed for studying the stimulation of human TLR8 or TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Therefore the reporter expression is regulated by the NF-&#954;B promoter upon stimulation of human TLR8 or TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Calif., USA) at a wavelength of 640 nm, a detection medium that turns purple/blue in the presence of alkaline phosphatase. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited).The compounds according to formula I have an activity (EC50 value) in the above assay for human TLR8 in the range of 0.01 nM to 0.05 &#956;M, more particularly of 0.001 nM to 0.03 &#956;M, whereas the activity (EC50 value) in the above assay for human TLR7 is greater than 10 &#956;M, in the range of 12 &#956;M to >100 &#956;M, meaning the compounds show high selectivity towards human TLR8.
986	1	Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS- for assay details, see reference (Greis et al., 2006). Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMVEGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1&#945; peptide corresponding to residues 556-574 (DLDLEALAPYIPADDDFQL) (SEQ ID NO. 1) is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 &#956;M), 2-oxoglutarate (3.2 &#956;M), HIF-1&#945; (8.6 &#956;M), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 &#956;L of reaction mixture to 50 &#956;L of a mass spectrometry matrix solution (&#945;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 Hz repetition rate). 
986	2	ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.). Data defined as % of DFO stimulation is used to calculate EC50 values with GraphPad Prism 4 software (San Diego, Calif.).
988	1	Binding Affinity Assay	Binding affinity of compounds having formula (I) to SMYD2 is indicia of their inhibition of the activity of this protein lysine methyltransferase. To determine the binding affinity of representative compounds having formula (I) to SMYD2, example compounds having Formula (I) were diluted in assay buffer (as detailed below) to concentrations of 0.0008 micromolar, 0.002 micromolar, 0.007 micromolar, 0.02 micromolar, 0.07 micromolar, 0.2 micromolar, 0.6 micromolar, 1.9 micromolar, 5 micromolar, 17.5 micromolar, and 50 micromolar and added (Echo Liquid Handler by Labcyte) to the wells of an assay plate (PerkinElmer Proxy Plate-384, Cat #6008289). 5 microliters of a 2×SMYD2 enzyme solution (20 nM, 1.8 mg/mL in assay buffer) were added to each well. To the control wells was also added 5 microliters of assay buffer. The assay buffer was comprised of Tris Cl (50 mMolar, obtained from Sigma, Cat # T23139 1 L), Tween 20 (0.01%, obtained from BioRad, Cat #170-6531), BSA (0.005%, obtained from Sigma, Cat# A-3059-50G), and DTT (1 mM, dithiothreitol (DTT)). The wells were incubated at room temperature for 30 minutes. The reaction was initiated by adding 2×p53 peptide (2.5 micromolar, GenMed, Cat #62529)+SAM (2 micromolar, S-adenosyl methionine, AK Scientific).Into the wells of the counter screen plate was added 5 microliters 2×SAH (300 nM, S-adenosyl homocysteine (SAH)), except the control wells. The counter screen plates are run to ensure that any compound activity observed are not artifacts. To the control wells was added 5 microliters of assay buffer, which comprised Tris Cl (50 mMolar, obtained from Sigma, Cat # T23139 1 L), Tween 20 (0.01%, obtained from BioRad, Cat #170-6531), BSA (0.005%, obtained from Sigma, Cat# A-3059-50G), and DTT (1 mM, dithiothreitol).
989	1	Binding Assay	The affinities of the target compounds were determined using radioligand binding experiments. All radioligand binding experiments were performed according to previously described methods (Luedtke R. R. et al. Synapse 2000, 38, 438-449; Chu, W. et al. Bioorg. Med. Chem. 2005, 13, 77-87; Taylor, M. et al. Synapse 2010, 64, 251-266). Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vector (Clontech, Palo Alto, Calif.). Levels of expression of human D2 and D3 dopamine receptors in HEK cells were 57,941±14,686 fmol/mg protein and 4202±1516 fmol/mg protein, respectively. Competition curves were performed using 125I-IABN. Membrane homogenates (50 &#956;L) were suspended in 50 mM Tris-HCl/150 mM NaCl/10 mM EDTA buffer, pH 7.5 and incubated with 50 &#956;L of 125I-IABN at 37° C. for 60 min. Nonspecific binding was defined using 4 &#956;M (+)-butaclamol. The radioligand concentration used was approximately equal to the Kd value, and the concentration of the competitive inhibitor ranged over five orders of magnitude. Binding was terminated by the addition of cold wash buffer (10 mM Tris-HCl/150 mM NaCl, pH 7.4) and filtration over a glass-fiber filter (Schleicher and Schuell No. 32). Filters were washed with 10 mL of cold buffer, and the radioactivity was quantitated. A Packard Cobra gamma counter was used for 125I-labeled radioligands (efficiency=75%). The protein concentration was determined using a BCA reagent (Pierce) with bovine serum albumin as the protein standard. Data from competitive inhibition experiments was modeled using nonlinear regression analysis to determine the concentration of inhibitor that inhibits 50% of the specific binding of the radioligand (IC50 value). Competition curves were modeled for a single site. Data from competition dose-response curves were analyzed using Tablecurve program (Jandel). IC50 values were converted to equilibrium dissociation constants (Ki values) using the Cheng and Prusoff correction.
990	1	In Vitro Scintillation Proximity Assay (SPA)	Compounds of the present invention were tested in an in vitro assay based on SPA technology with Ni Flash plates (96 or 384 well).In principle, the assay relies upon SPA technology for the detection of auto-poly(ADP-ribosyl)ation of TANK-2 protein using [3H]-nicotinamide adenine dinucleotide ([3H]-NAD+) as ADP-ribosyl donor.A stock solution of 100 nM [3H]-NAD+/NAD (0.1 mCi/ml, supplier: Perkin Elmer) and 25 &#956;M NAD (Sigma) was made in assay buffer (60 mM Tris/HCl, pH 7.4; 0.9 mM DTT; 6 mM MgCl2). The TANK-2 enzyme was produced as described in EP1238063. 60 &#956;l of assay buffer, together with 1 &#956;l of compound in DMSO, 20 &#956;l of [3H]-NAD+/NAD and 20 &#956;l of TANK-2 enzyme (final concentration 8 &#956;g/ml) was added per well into a 96-well Ni-coated flash plate (Perkin Elmer). After incubation of the mixture for 120 minutes at room temperature, the reaction was terminated by adding 60 &#956;l of stopsolution (42.6 mg NAD in 6 ml H2O). The plates were covered with a plate sealer and placed in a TopCountNXT (Packard) for scintillation counting. Values were expressed as counts per minute (cpm). For each experiment, controls (containing TANK-2 enzyme and DMSO without compound), a blank incubation (containing DMSO but no TANK-2 enzyme or compound) and samples (containing TANK-2 enzyme and compound dissolved in DMSO) were run in parallel. All compounds tested were dissolved and eventually further diluted in DMSO. In first instance, compounds were tested at a concentration of 10&#8722;5M. When the compounds showed activity at 10&#8722;5 M, a dose-response curve was made wherein the compounds were tested at concentrations between 10&#8722;5M and 3×10&#8722;8M. In each test, the blank value was subtracted from both the control and the sample values. The control sample represented maximal TANK-2 enzyme activity. For each sample, the amount of cpm was expressed as a percentage of the mean cpm value of the controls. When appropriate, IC50-values (concentration of the drug needed to reduce the TANK-2 enzyme activity to 50% of the control) were computed using linear interpolation between the experimental points just above and below the 50% level. Herein the effects of test compounds are expressed as pIC50 (the negative log value of the IC50-value). As reference compounds, 3-aminobenzamide and 4-amino-1,8-naphtalimide were included to validate the SPA assay. Herein the assay was described using 96-well plates. In the assay using 384-well plates the same final concentrations were used and volumes were adapted. If 96-well plate results were available these results were incorporated in Table-2, otherwise the results from the 384-well plate assay were shown.
990	2	In Vitro Scintillation Proximity Assay (SPA)	In principle, the assay relies upon the well established SPA technology for the detection of poly(ADP-ribosyl)ation of biotinylated target proteins, i.e histones. This ribosylation is induced using nicked DNA activated PARP-1 enzyme and [3H]-nicotinamide adenine dinucleotide ([3H]-NAD+) as ADP-ribosyl donor.Histones (type II-A, supplier: Sigma) were biotinylated using the biotinylation kit of Amersham and stored aliquoted at &#8722;20° C. A stock solution of 100 mg/ml SPA poly(vinyl toluene) (PVT) beads (supplier: Amersham) was made in PBS. A stock solution of 61.6 nM [3H]-NAD&#8722; was made by adding [3H]-NAD+ (0.1 mCi/ml, supplier: Perkin Elmer) to incubation buffer (50 mM Tris/HCl, pH 8; 0.2 mM DTT; 4 mM MgCl2). A solution of 4 mM NAD+ (supplier: Sigma) was made. Human PARP-1 enzyme was obtained from Trevigen. Biotinylated histones and PVT-SPA beads were mixed and pre-incubated for 30 minutes at room temperature. PARP-1 enzyme (concentration was lot dependent) was mixed with the nicked DNA and the mixture was pre-incubated for 30 minutes at 4° C. Equal parts of this histones/PVT-SPA beads solution and PARP-1 enzyme/DNA solution were mixed and 75 &#956;l of this mixture together with 1 &#956;l of compound in DMSO and 25 &#956;l of [3H]-NAD+was added per well into a 96-well microtiterplate. The final concentrations in the incubation mixture were 2 &#956;g/ml for the biotinylated histones, 2 mg/ml for the PVT-SPA beads, 0.25 &#956;g/ml for the nicked DNA and between 0.1-0.2 &#956;g/ml for the PARP-1 enzyme. After incubation of the mixture for 20 minutes at room temperature, the reaction was terminated by adding 100 &#956;l of 4 mM NAD+ in water (final concentration 2 mM) and plates were mixed. The beads were sedimented by centrifugation (10 min, 800 rpm) and plates transferred to a TopCountNXT (Packard) for scintillation counting, values were expressed as counts per minute (cpm). For each experiment, controls (containing PARP-1 enzyme and DMSO without compound), a blank incubation (containing DMSO but no PARP-1 enzyme, no DNA or compound) and samples (containing PARP-1 enzyme, DNA and compound dissolved in DMSO) were run in parallel. All compounds tested were dissolved and eventually further diluted in DMSO. A dose-response curve was made wherein the compounds were tested at concentrations between 10&#8722;5M and 3×10&#8722;9M. In each test, the blank value was subtracted from both the control and the sample values. The control sample represented maximal PARP-1 enzyme activity. For each sample, the amount of cpm was expressed as a percentage of the mean cpm value of the controls. When appropriate, IC50-values (concentration of the drug needed to reduce the PARP-1 enzyme activity to 50% of the control) were computed using linear interpolation between the experimental points just above and below the 50% level. Herein the effects of test compounds are expressed as pIC50 (the negative log value of the IC50-value). 
992	1	Binding Affinity Human 5-HT1A Receptor Test 	Human HEK-293 cell homogenates (36 &#956;g protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence or presence of the test compound in a buffer solution containing 50 mM Tris-HCl (pH 7.4), 10 mM MgSO4, 0.5 mM EDTA, 2 &#956;g/ml aprotinine.The non-specific binding value was determined by incubating the same mixture in the presence of 10 &#956;M 8-OH-DPAT, which was used as the standard reference compound and tested in each experiment at several concentrations to obtain a competition curve.Following the incubation, the samples were filtered rapidly under vacuum through glass fiber filter (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and the retained radioactivity was measured in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The experimental results were expressed as a percent inhibition of the control radioligand specific binding, and Ki was the inhibition constant.
992	2	Binding Affinity Human Dopamine D2S Receptor Test 	Cell membrane homogenates (24 &#956;g protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]methyl-spiperone in the absence or presence of the test compound in a buffer solution containing 50 mM Tris-HCl (pH 7.4), 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 and 1 mM EDTA.The non-specific binding value was determined by incubating the same mixture in the presence of 10 &#956;M (+)butaclamol.Following the incubation, the samples were filtered rapidly under vacuum through glass fiber filter (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and the retained radioactivity was measured in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
994	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 &#956;M final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 M final concentration). Final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20. Final volume of the quenching solution was 10 L. The resulting HTRF signal was measured after 30 minutes on an EnVision (Perkin-Elmer) reader using a time-resolved fluorescence protocol. 
995	1	Enzyme Inhibition Assay	FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-&#956;l assay mixtures containing 100 mM NaADA, pH 6.5 (ADA=N-[2-acetamido]-2iminodiacetic acid), 250 &#956;M crotonoyl-CoA, 625 &#956;M NADH and 50 &#956;g/ml S. aureus ATCC 29213 FabI Inhibitors were typically varied over the range of 50 to 0.39 &#956;M. The reaction mixtures were incubated for 30 minutes at room temperature and the reaction was stopped by adding 200 mM Tris buffer (pH 9.0) to create a pH-shift. The consumption of NADH was monitored by measuring the change in absorbance at 340. By comparing sample readings to those of negative (absence of compound) and positive (absence of enzyme) controls, the percent inhibition of enzymatic activity of the compounds was determined A best-fit curve is fitted by a minimum of squares method. From this an IC50-value (expressed in &#956;g/ml), resulting in 50% inhibition of enzymatic activity, was obtained.
997	1	Activity Assay	Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliated. Subsequently, TASK-1-encoding RNA synthesized in vitro was injected into oocytes. After two days of TASK-1 protein expression, TASK-1 currents were measured by two-microelectrode voltage clamp. Data were acquired and analyzed using a TEC-10cx amplifier (NPI Electronic, Tamm, Germany) connected to an ITC-16 Interface (Instrutech Corp., Long Island, USA) and Pulse software (HEKA Elektronik, Lambrecht, Germany). Oocytes were clamped to &#8722;90 mV and TASK-1 mediated currents were measured during 500 ms voltage pulses to 40 mV. Oocytes were continuously superfused with ND96 buffer containing: NaCl 96 mM, KCl 2 mM, CaCl2 1.8 mM, MgCl2 1 mM, HEPES 5 mM (pH adjusted to 7.4 with NaOH). All experiments were performed at room temperature.Test substances were consecutively added, to the bath solution at rising concentrations. Compound effects were calculated as the percentage inhibition of TASK-1 control current before compound application. IC50 values were obtained by fitting the data to the general dose-response equation.
1000	1	In Vitro Delta-Opioid Receptor Binding Assay	&#948;-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant delta opioid receptor expressed in CHO-K1 cells; Perkin Elmer) in a final volume of 500 &#956;L binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
1000	2	 In Vitro Kappa-Opioid Receptor Binding Assay	&#954;-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of kappa receptor membranes were stored at &#8722;80° C.Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;L, binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200 &#956;L, ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
1000	3	In Vitro Mu-Opioid Receptor Binding Assay	&#956;-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human &#956;-receptors (Perkin Elmer, Shelton, Conn.). Radioligand dose-displacement binding assays for human &#956;-opioid receptors used 0.2 nM [3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 &#956;L, binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hrs at about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 5004 of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hrs. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 &#956;L/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 (San Diego, Calif.), or an in-house function for one-site competition curve-fitting. for 1 min/well.
1000	4	In Vitro ORL-1 Receptor Binding Assay	ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Receptor Biology) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets resuspended in hypotonic buffer to a final concentration 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of the ORL-1 receptor membranes were stored at &#8722;80° C.Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 &#956;g membrane protein in a final volume of 500 &#956;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hrs. Fifty &#956;L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well. The data from screening and dose-displacement experiments were analyzed using Microsoft Excel and the curve fitting functions in GraphPad PRISM , v. 3.0, respectively, or an in-house function for one-site competition curve-fitting.
1001	1	Reporter Gene Assay	A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit ROR&#947; transactivation of a luciferase reporter. A similar assay is described in: Khan et al., Bioorganic & Medicinal Chemistry Letters 23 (2013), 532-536. The system uses transiently transfected HEK 293 cells cotransfected with two plasmids (pGL4.3, luc2P/GAL4UAS/Hygro, and pBIND, Gal4DBD hRORC LBD1-3). The positive control is co-transiently transfected with both plasmids, and the negative control contains the pGL4.3 promoter sequence. Assays are assembled in 384 well plates where transiently transfected cells and test compound at varying concentrations are incubated for 20-24 h.The next day, assays plates are taken out and equilibrated at RT for 20-30 minutes. Bright-Glo Luciferase Assay System is used to detect Luciferase production. After addition of Bright GLO detection reagent, the plates are incubated at RT for 20 minutes. The plates are read on an Envision plate reader to measure luminescence signal. The RLU signal is converted to POC relative to control and blank wells.
1002	1	High ATP Kinase Assay	Usually, test compounds were tested on the same microtiter plate at 11 different concentrations in the range of 20 &#956;M to 0.1 nM (e.g. 20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM, and 0.1 nM) in duplicates for each concentration. The dilution series was prepared separately prior to the assay as 100-fold concentrated stock solutions in DMSO; exact concentrations could vary depending on the pipettor used. For the assay, 50 nl of each stock solution of the test compound in DMSO was pipetted into a black, low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). 2 &#956;l of a solution of the above FGFR-1 fusion protein in aqueous assay buffer [8 mM MOPS pH 7.0, 10 mM magnesium acetate, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumin (BSA), 0.07% (v/v) Tween-20, 0.2 mM EDTA] was added, and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compound to the enzyme. Then, the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 3.3 mM; final concentration in the 5 &#956;l assay volume=2 mM) and substrate (0.16 &#956;M; final concentration in the 5 &#956;l assay volume=0.1 &#956;M) in assay buffer, and the resulting mixture was incubated for a reaction time of 15 min at 22° C. The concentration of FGFR-1 fusion protein was adjusted depending on the activity of the enzyme lot and was chosen appropriately to have the assay in the linear range (typical concentrations were in the range of 0.05 &#956;g/ml). The reaction was stopped by the addition of 5 &#956;l of a solution of HTRF detection reagents [25 nM streptavidin-XL665 (Cis Biointernational) and 1 nM PT66-Eu-chelate, an europium-chelate labelled anti-phosphotyrosine antibody (Perkin-Elmer; PT66-Tb-cryptate from Cis Biointernational may be used instead), in an aqueous EDTA solution (50 mM EDTA, 0.1% (w/v) BSA in 50 mM HEPES/NaOH pH 7.5)].
1004	1	Scintillation Proximity Assay (SPA)	The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PDE4A1, PDE4B3, PDE4C1, and PDE4D3 enzyme activity by compounds in vitro. The PDE4A1, PDE4B3, PDE4C1, and PDE4D3 assays are run in parallel using identical parameters, except for the concentration of enzyme (80 pM PDE4A3, 40 pM PDE4B3, 40 pM PDE4C1 and 10 pM PDE4D). The assays are performed in a 384-well format with 50 uL assay buffer (50 mM TRIS pH7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE4A3, PDE4B1, PDE4C1, and PDE4D to convert 20% of substrate (1 &#956;M cAMP consisting of 20 nM 3H-cAMP+980 uM cold cAMP) and a range of inhibitors. Reactions are incubated for 30 min at 25° C. The addition of 20 uL of 8 mg/ml yitrium silicate SPA beads (Perkin Elmer) stops the reaction. The plates are sealed (TopSeal, Perkin Elmer) and the beads are allowed to settle for 8 hrs, after which they are read on the Trilux Microbeta overnight.
1005	1	Kinase Assay	The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme, substrates (fluoresceinated peptide FL-AHA-KRRRAL-PSER-VASLPGL-OH and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 30 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was incubated at room temperature for 22 hours and terminated by adding 45 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the unphosphorylated substrate and phosphorylated product. Inhibition data were calculated by comparison of the no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay were 200 pM CK1&#949; or CK1&#948;, 50 &#956;M ATP, 1.5 &#956;M FL-AHA-KRRRAL-PSER-VASLPGL-OH, and 1.6% DMSO. Dose response curves were generated to determine the concentration required to inhibit 50% of the kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1006	1	Enzyme Assay	Assay: The following phosphodiesterase enzymes may be used: 3&#8242;,5&#8242;-cyclic-nucleotide-specific bovine brain phosphodiesterase (Sigma, St. Louis, Mo.) and recombinant full length human PDE1A and PDE1B (r-hPDE1A and r-hPDE1B, respectively) which may be produced e.g., in HEK or SF9 cells by one skilled in the art. The PDE1 enzyme is reconstituted with 50% glycerol to 2.5 U/ml. One unit of enzyme will hydrolyze 1.0 &#956;mole of 3&#8242;,5&#8242;-cAMP to 5&#8242;-AMP per min at pH 7.5 at 30° C. One part enzyme is added to 1999 parts reaction buffer (30 &#956;M CaCl2, 10 U/ml of calmodulin (Sigma P2277), 10 mM Tris-HCl pH 7.2, 10 mM MgCl2, 0.1% BSA, 0.05% NaN3) to yield a final concentration of 1.25 mU/ml. 99 &#956;l of diluted enzyme solution is added into each well in a flat bottom 96-well polystyrene plate to which 1 &#956;l of test compound dissolved in 100% DMSO is added. The test compounds are mixed and pre-incubated with the enzyme for 10 min at room temperature.
1008	1	Biological Assay	Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL glycerol (Fischer #56-81-5) and 40 mL DMSO (reagent grade). The final wells contain 20 &#956;g/mL aprotinin and 20 &#956;g/mL leupeptin and 10 &#956;M Pefabloc. Typically, receptor binding assays include radio-labeled ligands, such as 7 nM [3H]-25-hydroxycholesterol for alpha binding, 20 nM [3H]-3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for beta binding, and 6 nM [3H]-25-hydroxycholesterol for gamma binding, and 0.5 &#956;g RORa receptor, 0.03 &#956;g RORb receptor, or 0.13 &#956;g RORg receptor per well. Assays are typically run in 96-well format. Competing test compounds are added at various concentrations ranging from about 0.4 nM to 25 &#956;M. Non-specific binding is determined in the presence of 250 nM 25-hydroxycholesterol for RORa and RORg binding, 250 nM 3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for RORb binding. The sample, label and receptor solutions are combined in a 96 well assay plate (Costar 3632) and incubated overnight at room temperature, then 25 &#956;l beads (Amersham YSi (2-5 micron) copper His-tag Spa Beads, #RPNQ0096) for a final bead concentration of 1 mg/well is added to each reaction. Plates are mixed for 30 minutes on an orbital shaker at room temperature. After an incubation of 4 hours, plates are read in a Wallac MICROBETA counter.
1009	1	SPA Assay	The assays were performed in U-bottom 384-well optiplates. The final assay volume was 15 &#956;l prepared from 7.5 &#956;l additions of microsomes (prepared as a high-speed pellet from homogenized HEK2 cells stably transfected with CYP17), substrates (3H-Pregnenolone and NADPH) and test compounds in assay buffer (50 mM Potassium phosphate pH 7.2, 10% glycerol). The reaction was initiated by the combination of the microsomes and substrates in wells containing compound. The reaction was incubated at room temperature for 45 minutes and terminated by adding 7.5 &#956;l of 0.2N HCl to each well. Following an incubation period of 10 minutes, anti-DHEA-coated SPA beads were added to the terminated reaction. The plate was sealed and incubated overnight with shaking at 4° C. The beads were allowed to settle in the plate for 1 hour and the plate read on a TOPCOUNT (Perkin-Elmer) plate reader.Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are NADPH, 2 mM; 3H-Pregnenolone, 1 uM; microsomes, 1.25 ug/ml; Anti-DHEA-SPA beads (0.125 mg/well) in 0.5% Triton X-100 and DMSO, 0.05%. Dose response curves were generated to determine the concentration required inhibiting 50% of enzyme activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations, each in duplicate. IC50 values were derived by non-linear regression analysis.
1011	1	Kinase Activity Assay	Procedure: A 20 &#956;l reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DTT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;l of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).Analytical LCMS Conditions: Condition A: Phenomenex Luna C18 (4.6×250 mm), 95:5 to 5:95 water:MeCN (0.05% TFA), over 10 min, hold 6 min. Condition B: Agilent SBC (3.0×50 mm), solvent A: H20-0.1% TFA; solvent B: ACN-0.1% TFA; GRADIENT TABLE: 0 min:10% B, 0.3 min: 10% B, 1.5 min: 95% B, 2.70 min: 95% B, 2.76 min: 10% B, stop time 3.60 min.
1012	1	Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBz1 and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
1013	1	In Vitro ORL-1 Receptor Binding Assay	Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 &#956;g membrane protein in a final volume of 500 &#956;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. Fifty &#956;L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count for 1 min/well. The data from screening and dose-displacement experiments were analyzed using Microsoft Excel and the curve fitting functions in GraphPad PRISM, v. 3.0, respectively, or an in-house function for one-site competition curve-fitting.
1013	2	In Vitro Mu-Opioid Receptor Binding Assay	&#956;-Opioid Receptor Binding Assay Procedures: Radioligand binding assays were conducted using freshly thawed membranes expressing human &#956;-receptors (Perkin Elmer, Shelton, Conn.). Radioligand dose-displacement binding assays for human &#956;-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 &#956;L binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hr at about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 &#956;L of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Wallac, Turku, Finland) was added (50 &#956;L/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
1013	3	In Vitro Kappa-Opioid Receptor Binding Assay	&#954;-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as a standard. Aliquots of kappa receptor membranes were stored at &#8722;80° C. Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 L binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
1013	4	In Vitro Delta-Opioid Receptor Binding Assay	&#948;-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 &#956;g membrane protein (recombinant delta opioid receptor expressed in CHO-K1 cells; Perkin Elmer) in a final volume of 500 &#956;L binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 &#956;L ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;L/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well.
1015	1	Mutant IDH1 R132H Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;l and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;l of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/ml FMN, 2 &#956;l/ml Decanal/Ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
1015	2	Mutant IDH1 Cellular Assay	Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein. mIDH catalyzes the NADPH-dependent reduction of alpha-ketoglutarate to 2-HG. Cells (LN229 R132H, Mohrenz et al., Apoptosis (2013) 18:1416-1425) were grown in DMEM containing 10% FCS. They were harvested by trypsin and seeded into 96-well plates. Cells were incubated overnight at 37° C. in 5% CO2. The next day test compounds were added to each cell well. The final concentration of DMSO was 0.1% and DMSO controls were included. The plates were then placed in an incubator for 24 hours.2-HG was measured according to Balss et al. (Acta Neuropathol (2012) 124: 883-891). Briefly, HClO4 was added to each well and the plates were centrifuged. Aliquots are removed and incubated with hydroxyglutarate dehydrogenase (HGDH), diaphorase, NAD+, and resazurin. The conversion of resazurin to resorufin was detected by fluorescence spectroscopy at Ex 540 nm Em 600 nm. The increase in fluorescence is proportional to 2-HG production. IC50 values are determined by interpolation from plots of relative fluorescence vs inhibitor concentration.
1017	1	Caliper Assay	A solution of 4× inhibitor (5 &#956;L), 4× substrate/ATP-Metal solution (5 &#956;L), and 2× Kinase solution (10 &#956;L) was prepared with assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM DTT, pH 7.5) and mixed/incubated in 384 well plates for 1 or 5 hours depending on the kinase being examined, at room temperature. A solution of termination buffer (QuickScout Screening assist MSA; Carna Biosciences) (60 &#956;L) was added to each well. The entire reaction mixture was then applied to a LabChip3000 system (Caliper Life Science) and the product and substrate peptide peaks were separated and quantified. Evaluation of kinase activity was then determined based on ratio of calculated peak heights of product (P) and substrate (S) peptides (P/(P+S)).
1017	2	ADP Glo Assay Protocol	20 &#956;L/well of 4.7 nM GSK3&#946; and 7 &#956;M peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto white opaque 384-well plate. 100 nL/well compounds were pinned. 1 &#956;L/well of 140 &#956;M ATP in KBA was dispensed. Incubated at room temperature for 60 minutes. Added 20 &#956;L/well of ADP-glo (Promega, V9103) with Combi, and incubated at room temperature for 40 minutes. Added 40 &#956;L/well of ADP-glo (Promega, V9103) with Combi, incubated at room temperature for 30 minutes. Read on Envision for luminescence.
1017	3	Secondary Surface Plasmon Resonance Affinity Determination	Approximately 20,000 Response Units (RU) of anti GST-antibody (GE Healthcare Life Sciences) were immobilized on Flow Cell (FC) 1 and FC2 of a new, freshly conditioned CM5 SensorChip (GE Healthcare Life Sciences) in a Biacore T100 instrument utilizing the immobilization wizard of the T100 software package. Approximately 1,200 RU of recombinant GST (GE Healthcare Life Sciences) was then captured on FC1 utilizing the capture wizard protocol of the T100 software package. FC1 is used as a reference subtraction point for this and all SPR assays. Approximately 2,500 RU of recombinant GST-GSK3&#946; was then captured on FC2 utilizing the capture wizard protocol of the T100 software package. FC2 is used as the active flowcell for this and all SPR assays. The analyte plate is generated in dose response fashion in TBS buffer containing a final concentration of 2% DMSO, with a final analyte concentration of 10 &#956;M to 10 nM with a 2× dilution factor. A zero value is determined by running injections of buffer containing only 2% DMSO and no analyte. All injections are run in duplicate and are reference subtracted from FC1. A method consisting of a 60 second contact time and 60 second wash time with a flow rate of 30 &#956;L/min was developed. The internal standard curve for DMSO values was generated with seven injections of DMSO consisting of 1, 1.25, 1.5, 2, 2.25, 2.5 and 3% DMSO in TBS running buffer. Analysis of compounds was done using the 1:1 binding model and affinity measurements in the Biacore T100 evaluation software package.
1018	1	 RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1019	1	TPI assay	TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P.
1019	2	CPA assay	cell proliferation arrest on HT1080 cells (CPA; crystal violet).
1020	1	Radiolabeling of ThT and Radioligand Binding Assay	Initial competitive binding studies using [3H]CG and synthetic A&#946;(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s). It has been determined that ThS competed with [3H]CG for binding sites on A&#946;(1-40), but ThT did not (see, e.g., FIG. 5). High specific activity [N-methyl-11C]BTA-1 (see Table 1) was then synthesized by methylation of BTA-0. Bindings studies were performed with [N-methyl-11C]BTA-1 and 200 nM A&#946;(1-40) fibrils. The specific binding of [N-methyl-11C]BTA-1 was 70%. FIG. 5 (see the right panel) shows competition curves for A&#946; sites by ThT, BTA-0, BTA-1, and BTA-2 using the [N-methyl-11C]BTA-1 binding assay. The Ki&#39;s were: 3.0±0.8 nM for BTA-2; 9.6±1.8 nM for BTA-1; 100±16 nM for BTA-0; and 1900±510 nM for ThT. Not only is the quaternary amine of ThT not necessary for binding to A&#946; fibrils, it appears to decrease binding affinity as well.
1021	1	A2a Ki assay	Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proximity technology. Thus, 1* &#956;g, or preferably 0.25 &#956;g of membranes from HEK293 cells expressing the human A2a receptor were incubated with a compound of the invention at concentrations ranging from 3000 nM to 0.15 nM in a reaction mixture containing also 0.5 nM of a tritiated form of 5-amino-7-[2-phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (the tritiated compound) and 25 &#956;g of wheat germ agglutin-coated yttrium silicate SPA beads for one hour at room temperature with agitation. The beads were then allowed to settle to the bottom of the wells for 1 hr, after which the membrane-associated radioactivity was determined by scintillation counting in a TopCount microplate reader. Ki values were determined using the Cheng-Prusoff equation.
1024	1	V9103X ADP-Glo Kinase Assay Custom	In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15 minutes of pre-incubation at RT, ATP dissolved in assay buffer is added (final concentration 5 &#956;M). The mixture is incubated for 60 minutes at 37° C. in a humidified incubator. Then, ADP Glo Reagent is added, followed by a 40 minute incubation at rt. Finally, Kinase Detection Reagent is added and the entire mixture is incubated for 40 min at RT. The luminescence signal is measured with an Envision reader to determine the amount of ADP produced. Assay buffer: 25 mM HEPES (4-(2-hydroxyethyl)-1-piperazinethanesulfonic acid), 0.1% BSA (bovine serum albumin), 10 mM MgCl2, 5 mM MnCl2, 50 mM KCl, 0.01% CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate), 10 &#956;M Na3VO4, 1 mM DTT (dithiothreitol), pH 7.5 All plates contain wells with vehicle controls instead of compound (1% DMSO) as reference for the high signal (100% CTL (100% of control), high signal), and wells without enzyme as reference for low signal (0% CTL, low signal). The luminescent signal generated is proportional to the ADP produced and is correlated with enzyme activity. The analysis of the data is performed by the calculation of the percentage of ADP production in the presence of the test compound and RIPK2 as compared to the ADP production in the presence of RIPK2 plus 50 &#956;M Gefitinib.
1026	1	Mutant IDH1 R132H Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;l and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;l of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/ml FMN, 2 &#956;l/ml Decanal/Ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
1027	1	Human FXR (NR1H4) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit purchased from Indigo Bioscience (Catalogue number: IB00601) to determine the potency and efficacy of compound developed by Enanta that can induce FXR activation. The principle application of this reporter assay system is to quantify functional activity of human FXR. The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 100 &#956;l containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 90 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.
1028	1	BTK Assay	TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of substrate. Assays were assembled in 384 well plates where 6 nM of full-length human His-tagged BTK (Life Technologies cat # PV3587) and test compound at varying concentrations were preincubated for 15 minutes at 28° C. Then, 1 uM of TK substrate-biotin and 30 uM ATP were added and incubated for an additional 30 minutes at 28° C. Phospohrylation was detected by adding 62.5 nM Streptavidin-XL665 and TK-Antibody Cryptate diluted 1:100 in HTRF detection buffer (Cisbio cat #62SDBRDF) and incubated for 60 minutes at RT. The plate was read on an Envision plate reader and the fluorescence is measured at 620 nm (cryptate) and 665 nm (XL665). A ratio is calculated (665/620) and converted to POC relative to control and blank wells.
1029	1	Quanta Red Assay	Measuring ATX activity using an enzyme coupled Quanta Red assay (Thermo Scientific Pierce Protein Research Products, Product #15159) was determined as follows. 8 &#956;L human recombinant ATX (final concentration 0.8 &#956;g/mL) in 1× Assay buffer containing 50 mM Tris-HCl (pH 8.0), 5 mM CaCl2 was added to an opaque black flat-bottom 384-well plate (Corning, #3575) containing 2 &#956;L test compound in 40% DMSO (4% final DMSO concentration). 10 &#956;L of Quanta Red, Horseradish peroxidase (HRP), Choline Oxidase (CO), Rac-1-Palmitoyl-glycero-3-phosphocholine solution (final concentration 1:250 for Quanta Red, 0.5units/ml HRP, 0.5units/ml CO, 15 &#956;M Rac-1-Palmitoyl-glycero-3-phosphocholine) in 1× assay buffer (as described previously) was added to each well to start the reaction and the plate was incubated at room temperature for 2 hours. The reaction was stopped after 2 hours with a 20 &#956;L addition of Quanta Red Stop solution (1:20 dilution in distilled water). The above-described mixture with DMSO alone was used as a positive control whereas that with DMSO alone without ATX was taken as a negative control. For each test compound, ten concentrations were measured covering a range of 6.1 nM to 120 &#956;M to determine IC50 values. The top concentration was decreased to 1.2 &#956;M when a test compound&#39;s IC50 value was evaluated in low nanomolar range. Fluorescence was determined in a BMG Labtech Pherastar plus plate reader (&#955; emission=540 nm, &#955; excitation=590 nm). Data were analysed using Excel fit software.
1030	1	Measurement of FXIa Inhibition	The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
1030	2	Determination of the Plasma Kallikrein Activity	o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of a peptidic plasma kallikrein substrate to determine the enzymatic activity of human plasma kallikrein. Here, plasma kallikrein cleaves from the peptic plasma kallikrein substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
1031	1	LCAT Activity Measurement (In Vitro)	A fraction composed of HDL3 (1.125<specific gravity <1.210 g/mL) was obtained from the plasma of a healthy person by density gradient centrifugation. The obtained fraction was dialyzed against phosphate-buffered saline (pH 7.4) and used as an enzyme source and an acceptor for LCAT. Each test drug was prepared by dissolution in dimethyl sulfoxide. [14C]Cholesterol containing DTNB (Ellman&#39;s reagent, final concentration: 0.5 mM), mercaptoethanol (final concentration: 12.5 mM), and 0.6% bovine serum albumin was added to phosphate-buffered saline (pH 7.4) containing 1 mg/mL HDL3, and the test drug was further added thereto at varying concentrations to adjust the whole amount to 80 &#956;L. This mixture was incubated at 37° C. for approximately 16 hours. Then, a mixed solution of hexane and isopropanol (mixing ratio=3:2) was added thereto to stop the reaction. After stirring, the hexane layer was collected, and this layer was evaporated to dryness. A chloroform solution (concentration: 10 mg/mL) was added thereto, and the mixture was spotted onto a thin-layer silica gel plate and developed using a mixed solution of hexane, diethyl ether, and ethyl acetate (mixing ratio=85:15:2). The radioactivity of a portion corresponding to cholesterol oleate was measured using an imaging analyzer BAS-2500 (manufactured by Fujifilm Corp.). A sample non-supplemented with the test drug was similarly treated and assayed. The EC50 value of LCAT activation was calculated according to the expression given below relative to the LCAT activity in the sample non-supplemented with the test drug.
1032	1	V9103X ADP-Glo Kinase Assay	In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15 minutes of pre-incubation at RT, ATP dissolved in assay buffer is added (final concentration 5 &#956;M). The mixture is incubated for 60 minutes at 37° C. in a humidified incubator. Then, ADP Glo Reagent is added, followed by a 40 minute incubation at rt. Finally, Kinase Detection Reagent is added and the entire mixture is incubated for 40 min at RT. The luminescence signal is measured with an Envision reader to determine the amount of ADP produced. Assay buffer: 25 mM HEPES (4-(2-hydroxyethyl)-1-piperazinethanesulfonic acid), 0.1% BSA (bovine serum albumin), 10 mM MgCl2, 5 mM MnC12, 50 mM KCl, 0.01% CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate), 10 &#956;M Na3VO4, 1 mM DTT (dithiothreitol), pH 7.5 All plates contain wells with vehicle controls instead of compound (1% DMSO) as reference for the high signal (100% CTL (100% of control), high signal), and wells without enzyme as reference for low signal (0% CTL, low signal). The luminescent signal generated is proportional to the ADP produced and is correlated with enzyme activity. The analysis of the data is performed by the calculation of the percentage of ADP production in the presence of the test compound and RIPK2 as compared to the ADP production in the presence of RIPK2 plus 50 &#956;MGefitinib.
1033	1	AlphaScreen Assay	The assay uses two types of beads: donor beads are coupled with streptavidin, and acceptor beads are coupled with an anti His-tag antibody. Upon excitation with light of a wavelength of 680 nm the donor beads produce reactive oxygen species that travel in solution only for a limited distance. If the acceptor beads are within that travel distance, it will absorb the reactive oxygen and emit light in the range of 520-620 nm. In our assay we have used biotin-coupled PEX5 peptide (coupling to donor beads) and His-tagged T. brucei PEX14 (coupled to the acceptor beads). Thus, PEX5-PEX14 complex dissociation by a ligand caused decrease in light emission as the donor and acceptor beads were separated. Typically, we used 30 nM PEX5, 30 nM PEX14 and bead concentrations of 5 &#956;g/mL. The PEX5-PEX14 complex was incubated with varying concentrations of inhibitor for 1 hour. Next, the beads were added and the system allowed to equilibrate for another hour. The raw data were fitted to four parameter sigmoidal curves by Origin software and EC50 values calculated. Each measurement was performed in quadruplicate and every experiment was accompanied with blank and reference samples (using non-biotynylated PEX5 peptide as a binding competitor).
1033	2	 Antitrypanosomal Activity Assay	Antitrypanosomal activity was tested on T. brucei brucei bloodstream from parasites (strain Lister 427, VATMITat 1.2). Stock solutions of compounds (50 mM) were prepared in DMSO. Two fold serial dilutions of each compound (10 wells in each row) were prepared in 96 well plates in HMI111 medium (100 &#956;l/well; quadruplicates; cf. also Hirumi et al., J. Parasitol. 75 (1989), 985-989). One well without compound, and one well with media alone were included in each row. Parasites grown in HMI11 were inoculated (100 &#956;l of 4×104/ml) in all wells (except the well with media alone ) giving a final concentration of parasites of 2×104/ml. The plates were incubated for 66 hours at 37° C. in the incubator with 5% CO2. 20 &#956;l resazurin (Sigma, 0.125 mg/ml in Hanks Balanced Salt Solution) was added to all wells and the plate was further incubated for 6 hours. Change in color of resazurin (blue to pink) by living cells was measured with a 96 well plate reader (excitation at 530 nm, emission at 585 nm, filter cut-off: 570 nm). Percent inhibition values were calculated by setting the well without compound to 0% inhibition . Non-linear regression graphs were plotted in Graphpad Prism to yield sigmoidal dose-response curves and IC50 values were determined (compound concentration giving 50% inhibition).
1034	1	 Assay of Phosphodiesterase 10 Inhibition In Vitro	Recombinant human phosphodiesterase 10A (PDE10A) purified to homogeneity from Sf9 cells overexpressing PDE10A gene (GenBank/EMBL accession number: NM_001130690) was used for inhibition tests.Inhibitory activity of the compounds towards PDE10A was tested using PDE-Glo (Promega Corporation, Madison, USA) luminescent method on 96-well plates. Test was performed for 8 concentrations of the compounds. Test compounds were dissolved in 100% DMSO and resulted solutions were diluted 5× in concentrated PDE-Glo Reaction Buffer. Eight concentrations of each tested compound were obtained by subsequent dilution. 5 &#956;l of obtained solutions were added into the wells of 96-well plate. Next, 7.5 &#956;l of a solution containing PDE9A enzyme diluted in 1× concentrated PDE-Glo Reaction Buffer were added into the well to obtain the final amount of 2-10 ng (depending on the activity of the enzyme batch used in the study). In order to facilitate interaction between compounds and the enzyme, plates were incubated for 1 minute at room temperature and then 9 minutes at 4° C. Reaction was initiated by addition of 12.5 &#956;l of 2 &#956;M cAMP solution into the well and subsequently plate was incubated at 30° C.After 40 minutes reaction was stopped by addition of 12.5 &#956;l of PDE-Glo Termination Buffer with high concentration of a known PDE10 inhibitor. Plate content was stirred with orbital shaker at 500 RPMs for 10 minutes and then in the next step 12.5 &#956;l of freshly prepared PDE-Glo Detection Solution were added into the well.Plate was incubated for 20 minutes at room temperature before 50 &#956;l of Kinase Glo reagent (Promega Corporation, Madison, USA) was applied into the wells and incubation at room temperature was continued for the next 10 minutes. After incubation, luminescence intensity in wells was measured with the Victor Light (Perkin Elmer Inc.) luminometer.Percent of PDE10A inhibition by tested compounds was determined based on luminescence intensity measurements in wells containing test compounds and in control wells. Results were then fitted using a four-parameter logistic fit in GraphPad Prism 5.03 software (GraphPad Software Inc.). Negative control wells contained all above mentioned reagents except test compounds and positive control wells contained all above mentioned reagents except test compounds and the PDE10A enzyme. Each chemical compound was assayed in at least two independent runs (2×96-well plate in duplicate) with at least 3 wells of each of the controls.
1035	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
1036	1	Inhibition of HIV Replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990).
1037	1	Cell-Free Assay for Evaluating Inhibition of ALK5 Kinase Phosphorylatio	ALK5 protein was expressed in Sf9 insect cells as human recombinant GST-fusion protein using the baculovirus expression system. Expressed protein was purified by affinity chromatography using GSH-agarose (Sigma-Aldrich). Kinase assay was performed in 96-well FlashPlates from Perkin Elmer (Boston, Mass., USA) in a 50 &#956;L reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 &#956;L of assay buffer (standard buffer), 5 &#956;L of ATP solution in H2O, 5 &#956;L of each test compounds of formula (I) in 10% DMSO, 10 &#956;L of GSK3 (14-27) (200 ng)/10 &#956;L of ALK5 solution (1 ng) (premixed). The reaction cocktail contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 Na3VO4, 1.2 mM DTT, 50 &#956;g/mL PEG20000, 1 &#956;M [&#947;-33P]-ATP (approximately 2.5×105 cpm per well), 200 ng/10 &#956;L GSK3 (14-27), and 1 ng/10 &#956;L ALK5. The reaction cocktail was incubated at 30° C. for 60 min. The reaction was stopped with 50 &#956;L of 2% (v/v) H3PO4, and plates were aspirated and washed two times with 200 &#956;L 0.9% (w/v) NaCl. Assay was performed with a BeckmanCoulter Biomek 2000 robotic system. Incorporation of 33Pi (counting of cpm) was determined with a microplate scintillation counter (Microbeta, Wallac).
1038	1	Factor XIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the half-maximal inhibitory concentrations (IC50), or the inhibitory constant, Ki.Compounds were pre-incubated for 30 minutes at 25° C. with human (0.04 nM) Factor XIa in 50 mM HEPES buffer with 150 mM sodium chloride, 5 mM calcium chloride, 0.1% PEG 8000, pH 7.4. Factor XIa enzymatic activity was determined by addition of the substrate glycine-proline-arginine-7-amido-4-trifluoromethylcoumarin (GPR-AFC) and measurement of the fluorescence at 400/505 nm after a 60 minute incubation at 25° C. The % inhibition for each data point was calculated from the data and analyzed using the log (inhibitor) vs. response four parameters equation to determine the half-maximal inhibitory concentrations (IC50). The IC50 were converted to equilibrium inhibitory constants (Ki) using the Cheng-Prusoff equation.
1038	2	Kallikrein Assay	The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the half-maximal inhibitory concentrations (IC50), or the inhibitory constant, Ki.Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.2 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. The reactions were performed under linear progress curve conditions and fluorescence increase measured at 405 Ex/510 Em nm. Values were converted to percent inhibition of the control reaction (after subtracting 100% Inhibition value). IC50 was determined by inflection point from a four parameter logistic curve fit. Ki was calculated using the Cheng Prusoff equation, Ki=IC50/(1+([S]/Km)).
1040	1	BT474 Cell Viability Assay for Antibody-Polymer-Drug Conjugates	PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega Corp). Cells were plated in black walled 96-well plate and allowed to adhere overnight at 37° C. in a humidified atmosphere of 5% CO2. BT474 and were plated at a density of 5,000 cells per well. The next day the medium was replaced with 50 &#956;L fresh medium and 50 &#956;L of 2× stocks of PBD compounds or antibody-PBD conjugate were added to appropriate wells, mixed and incubated for 72 h. CellTiter-Glo reagent was added to the wells at room temperature and the luminescent signal was measured after 10 min using a SpectraMax M5 plate reader (Molecular Devices). Dose response curves were generated using SoftMax Pro software. IC50 values were determined from four-parameter curve fitting.
1040	2	SKBR3 Cell Viability Assay for Antibody-Polymer-Drug Conjugates	PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega Corp). Cells were plated in black walled 96-well plate and allowed to adhere overnight at 37° C. in a humidified atmosphere of 5% CO2. SKBR3 and were plated at a density of 5,000 cells per well. The next day the medium was replaced with 50 &#956;L fresh medium and 50 &#956;L of 2× stocks of PBD compounds or antibody-PBD conjugate were added to appropriate wells, mixed and incubated for 72 h. CellTiter-Glo reagent was added to the wells at room temperature and the luminescent signal was measured after 10 min using a SpectraMax M5 plate reader (Molecular Devices). Dose response curves were generated using SoftMax Pro software. IC50 values were determined from four-parameter curve fitting.
1040	3	NCI-N87 Cell Viability Assay for Antibody-Polymer-Drug Conjugates	PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega Corp). Cells were plated in black walled 96-well plate and allowed to adhere overnight at 37° C. in a humidified atmosphere of 5% CO2. NCI-N87 cells (HER2 expressing cells) and were plated at a density of 5,000 cells per well. The next day the medium was replaced with 50 &#956;L fresh medium and 50 &#956;L of 2× stocks of PBD compounds or antibody-PBD conjugate were added to appropriate wells, mixed and incubated for 72 h. CellTiter-Glo reagent was added to the wells at room temperature and the luminescent signal was measured after 10 min using a SpectraMax M5 plate reader (Molecular Devices). Dose response curves were generated using SoftMax Pro software. IC50 values were determined from four-parameter curve fitting.
1040	4	JIMT1 Cell Viability Assay for Antibody-Polymer-Drug Conjugates	PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega Corp). Cells were plated in black walled 96-well plate and allowed to adhere overnight at 37° C. in a humidified atmosphere of 5% CO2. JIMT1 cells (HER2 medium expression level cells) and were plated at a density of 5,000 cells per well. The next day the medium was replaced with 50 &#956;L fresh medium and 50 &#956;L of 2× stocks of PBD compounds or antibody-PBD conjugate were added to appropriate wells, mixed and incubated for 72 h. CellTiter-Glo reagent was added to the wells at room temperature and the luminescent signal was measured after 10 min using a SpectraMax M5 plate reader (Molecular Devices). Dose response curves were generated using SoftMax Pro software. IC50 values were determined from four-parameter curve fitting.
1040	5	MCF7 Cell Viability Assay for Antibody-Polymer-Drug Conjugates	PBD compounds and conjugates thereof were evaluated for their antiproliferation properties in tumor cell lines in vitro using CellTiter-Glo (Promega Corp). Cells were plated in black walled 96-well plate and allowed to adhere overnight at 37° C. in a humidified atmosphere of 5% CO2. MCF7 cells (HER2 low expressing levels cells) and were plated at a density of 5,000 cells per well. The next day the medium was replaced with 50 &#956;L fresh medium and 50 &#956;L of 2× stocks of PBD compounds or antibody-PBD conjugate were added to appropriate wells, mixed and incubated for 72 h. CellTiter-Glo reagent was added to the wells at room temperature and the luminescent signal was measured after 10 min using a SpectraMax M5 plate reader (Molecular Devices). Dose response curves were generated using SoftMax Pro software. IC50 values were determined from four-parameter curve fitting.
1041	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobulin G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD80-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively). Binding/competition studies between biotinylated Compound No. 71 and human PD-L1-His were performed as follows. Macrocyclic compound inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 minutes in 4 &#956;l of assay buffer followed by addition of biotinylated Compound No. 71 (0.5 nM final) in 1 &#956;l of assay buffer. Binding was allowed to equilibrate for 30 minutes followed by addition of europium crypated labeled Streptavidin (2.5 &#956;M final) and APC-labeled anti-His (20 nM final) in 5 &#956;l of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
1042	1	LXR alpha/beta Radioligand Binding Assay	Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligand binding domain (LBD) in the presence of radiolabeled LXR ligand [3H]TO901317. The amount of the LXR-LBD that complexed with [3H]T0901317 was measured by scintillation proximity assay (SPA) employing non-specific binding of LXR-LBD to poly-lysine coated Yttrium silicate beads. Partially purified LXR &#945; or &#946; LBD protein (15-45 nM) was incubated at rt for 30 min with 15 nM [3H]TO901317 (25-40 Ci/mmol) and different concentrations of test compounds in 80 &#956;L of phosphate buffered saline (PBS) buffer containing 2.5% DMSO, 1% glycerol, 2 mM EDTA, 2 mM CHAPS and 5 mM DTT in 96-well plates. Poly-lysine SPA beads (50 &#956;g) were added to each well and the total volume was adjusted to 120 &#956;L. The plates were shaken on an orbital shaker for 20 min and then allowed to settle for 10 more min at rt before a brief centrifugation at 2,000 rpm for 1 min. The SPA signal was measured on a MicroBeta liquid scintillation counter (Perkin Elmer, Waltham, Mass.), and the results were used for calculating IC50 values based on the total binding (DMSO control) and non-specific binding (5 &#956;M of unlabeled TO901317) controls. The Ki values were calculated according to equation 1, where [RL] is the final concentration of [3H]TO901317 in the assay, and the Kd values of 20 nM and 10 nM of TO901317 for LBDs of LXR&#945; and LXR&#946;, respectively, were determined by direct titration of the radioligand with these proteins.
1042	2	Human LXRalpha and LXRbeta Coactivator Recruitment FRET Assay	This assay is based on the ability of the LXR-LBDs (LXR&#945; and LXR&#946;) to recruit and interact with a co-activator peptide. This assay was run in agonist mode, to characterize compounds of the invention that exhibit LXR agonist activity, and in antagonist mode to characterize compounds of the invention having LXR antagonist activity and which cause a concentration-dependent release of the co-activator peptide in the presence of the full LXR agonist T0901317. The interaction between glutathione S-transferase (GST)-tagged, recombinant human LXR&#945;-LBD or LXR&#946;-LBD and fluorescein-conjugated co-activator peptide SRC2-3 (Cat# PV4588, Life Technologies, Grand Island, N.Y.) was measured via time resolved-fluorescence resonance energy transfer (TR-FRET). The assay was performed in 96-well half-area black Opti-plates (Cat# 3686, Corning, Lowell, Mass.) in 20 mM TRIS-HCl buffer, pH 8, containing 150 mM NaCl and 5 mM DDT in a total volume of 80 &#956;L. Test compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions were also prepared in DMSO, as 40× solutions.
1045	1	Inhibition of Mast Cell Degranulation	Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode&#39;s buffer (TyB) consisted of Minimum Essential Medium without Phenol Red supplemented with 2 mM L-glutamine and 20 mM HEPES. Lysis buffer consisted of 25 mM Tris-HCl, pH 7.5, 150 mM NaCl. 5 mM EDTA and 0.1% (w/v) Triton X-100. DNP-HSA was dissolved to 1 mg/ml in water. MUG substrate solution consisted of 2.5 mM 4-methylumbelliferyl-N-acetyl-&#946;-D-glucosaminide in 0.05 M citrate, pH 4.5; stop solution was 0.1 M NaHCO3/0.1 M Na2CO3, pH 10.Consumables and equipment: For small-volume liquid handling procedures, Rainin LTS electronic pipettes were routinely used (Mettler-Toledo). Costar-Corning 24-well plates (3337) were centrifuged in an Eppendorf 5804 R centrifuge. A Heraeus B15 table top incubator was used for incubations at 37° C. under non-sterile conditions. Fluorescence was measured in black Nunc 96-well plates (237105) using a microplate reader (Tecan Safire) or FlexStation 3 (Molecular Devices) multi-mode plate reader. Cells were maintained in Hera Cell 240 CO2 incubators (Thermo Scientific). Serological pipettes (4487, 4488 and 4489) and cell culture flasks (431080) were from Corning-Costar, 1.5 and 2 ml microcentrifuge tubes (0030 120.086 and 0030 120.094) were from Eppendorf.
1048	1	DOT1L IC50	Test compounds were serially diluted 3 fold in DMSO for 10 points and 1 &#956;l was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 2.5 uM final concentration of S-adenosyl-L-homocysteine and negative control (0% inhibition standard) contained 1 &#956;l of DMSO. Compound was then incubated for 30 minutes with 40 &#956;l per well of DOT1L (1-416) (0.25 nM final concentration in assay buffer: 20 mM TRIS, pH 8.0, 10 mM NaCl, 0.002% Tween20, 0.005% Bovine Skin Gelatin, 100 mM KCl, and 0.5 mM DTT). 10 &#956;l per well of substrate mix (same assay buffer with 200 nM S-[methyl-3H]-adenosyl-L methionine, 600 nM of unlabeled S-[methyl-3H]-adenosyl-L methionine, and 20 nM oligonucleosome) was added to initiate the reaction. Reaction was incubated for 120 minutes at room temperature and quenched with 10 &#956;l per well of 100 &#956;M S-methyl-adenosyl-L methionine. For detection, substrate from 50 &#956;l of reaction was immobilized on a 384 well Streptavidin coated Flashplate (Perkin Elmer) (also coated with 0.2% polyethyleneimine) and read on a Top Count scintillation counter (Perkin Elmer).
1050	1	Human FXR (NR1H4) Assay	The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 100 ul containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 90 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.To assess the FXR agonistic potency of the exam
1051	1	BEAS-2B NQO1 MTT Assay	NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependent two-electron reductions of quinones and protects cells against the toxic and neoplastic effects of free radicals and reactive oxygen species arising from one-electron reductions. The transcription of NQO1 is finely regulated by Nrf2, and thus NQO1 activity is a good marker for Nrf2 activation. On day one, frozen BEAS-2B cells (ATCC) are thawed in a water bath, counted, and re-suspended at a concentration of 250,000 cells/mL. Fifty microliters of cells are plated in 384 well black clear-bottomed plates. Plates are incubated at 37° C., 5% CO2 overnight. On day two, plates are centrifuged and 50 nL of compound or controls are added to the cells. Plates are then incubated at 37° C., 5% CO2 for 48 h. On day four, medium is aspirated from the plate and crude cell lysates are made by adding 13 &#956;L of 1× Cell Signaling Technologies lysis buffer with 1 Complete, Mini, EDTA-free Protease Inhibitor Tablet (Roche) for each 10 mL of lysis buffer. After lysis plates are incubated for 20 min at room temperature. Two microliters of lysate are removed for use in Cell Titer Glo assay (Promega) and MTT cocktail is prepared (Prochaska et. al. 1998) for measurement of NQO1 activity. Fifty microliters of MTT cocktail is added to each well, plate is centrifuged, and analyzed on an Envision plate reader (Perkin Elmer) using Absorbance 570 nm label for 30 min. Product formation is measured kinetically and the pEC50 of NQO1 specific activity induction is calculated by plotting the change in absorbance (Delta OD/min) versus the log of compound concentration followed by 3-parameter fitting.
1051	2	Nrf2-Keap1 FP Assay #1	100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-well low volume black assay plates (Greiner, #784076), with DMSO in columns 6 and 18. The top concentration of compound is located in columns 1 and 13. Keap1 (321-609) is diluted to 40 nM (2×) in 1× assay buffer (50 mM Tris, pH 8.0, 100 mM NaCl, 5 mM MgCl2, 1 mM DTT, 2 mM CHAPS, and 0.005% BSA) and 5 ul is added using a Multidrop Combi (Thermo Electron Corporation) equipped with a metal tip dispenser to all wells of the compound plate, except column 18. Column 18 receives only 5 ul of assay buffer. Immediately, 5 &#956;L of 16 nM (2×) of Tamra labeled peptide (AFFAQLQLDEETGEFL, 21st Century Biochemicals) is added to all wells of the plate. The plates are spun at 500 rpm for 1 min, incubated for 1 h at room temperature, and read on an Analyst GT (Molecular Devices) equipped with excitation (530/25 nm) and emission (580/10 nm) filters designed for Tamra probes. A 561 nm dichroic mirror is also used in the Analyst. The final assay concentrations of Keap1 (321-609) and Tamra labeled peptide are 20 nM and 8 nM, respectively. Fluorescence measurements, represented as mP, are used in the transformation of the data. Compound activity is calculated based on percent inhibition, normalized against controls in the assay (Control 1 contains the Tamra peptide and Keap1 (321-609) together (0% response) and control 2 contains the Tamra peptide alone (100% response)). Data analysis is handled using the software package Abase XE (Surrey, United Kingdom.
1051	3	Nrf2-Keap1 FP Assay #2	10-point semi-log dilution curves in DMSO are prepared in 96-well polypropylene plates to 100× final assay concentration. Compound curves are then diluted 10-fold in assay buffer (50 mM Tris, pH 8.0, 100 mM NaCl, 5 mM MgCl2, 1 mM DTT, 2 mM CHAPS, and 0.005% BSA). To a Costar 384-well black polystyrene assay plate (Corning, #3573), 5 &#956;L of the 10× compound dose response curves are added, with columns 1, 12, 13, and 24 receiving only DMSO. The top concentration of compound is located in columns 2 and 14. Keap1 (321-609) is diluted to 17.5 nM (2.5×) in assay buffer and 20 &#956;L is added to all wells except columns 12 and 24 (rows A-H), which get 20 &#956;L of assay buffer instead. Immediately, 25 &#956;L of 4 nM (2×) Tamara labeled peptide (AFFAQLQLDEETGEFL, 21st Century Biochemicals) in assay buffer is added to all wells except columns 12 and 24 (rows I-P), which get 25 &#956;L of assay buffer instead. The assay plate is sealed with a foil film, shaken at 600 rpm for 1 h at room temperature and then read on a Pherastar (BMG), equipped with a TAMRA FP optic module (540/20 nm excitation and 590/20 nm emission filters). Fluorescence measurements, represented as mP, are used in the transformation of the data. The final assay concentrations of Keap1 (321-609) and Tamra labeled peptide are 7 nM and 2 nM, respectively. For each plate, the Pherastar&#39;s gain is adjusted after setting the min to 35 mP. The average background reading is automatically subtracted from each sample. Compound activity is calculated based on percent inhibition, normalized against controls in the assay (Control 1 contains the Tamra peptide and Keap1 (321-609) together (0% response) and Control 2 contains the Tamra peptide alone (100% response)). Control 3, containing only Keap1 (321-609) in columns 12 and 24 (rows I-P) are used for background. Data analysis is handled in Prism by first transforming the % inhibition values using x=log x and then using the nonlinear regression equation sigmoidal dose-response curve (variable slope) to determine the pIC50 values. The % inhibition=100*(1&#8722;((compound response&#8722;average min)/(average max&#8722;average min))).
1052	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1052	2	RET G810R Mutant Assay	The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G81OR mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
1055	1	JAK Caliper Enzyme Assay at 1 mM ATP	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
1058	1	JAK Caliper Enzyme Assay at 1 mM ATP	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
1059	1	NAMPT Enzyme Assay	To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration with assay buffer (50 mM Tris-HCl (pH7.5), 1 mM DTT, 100 mM NaCl, 10 mM MgCl2, 0.005% Tween 20). To this solution is added test compounds or vehicle control (DMSO) and BodiPY ligand (structure below). The plate is shaken for 1-2 min, sealed and incubated for 1 hour at rt in the dark. The TR-FRET signal is measured using BMG Pherastar (Lanthascreen protocol on BMG Pherastar). Excitation was carried out at 320 nm, and the ratio of emission of BodiPY (520 nm) to terbium (486 nm) was determined. Concentration response curves are generated by calculating the excitation increase in test compound-treated samples relative to DMSO-treated controls. For the assay method described above, test compound percent inhibition values at a single concentration are calculated relative to control (DMSO) treated samples. Compound concentration response curves are fitted to generate IC50 values from those curves. One skilled in the art will appreciate that these values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
1065	1	In Vitro Plasma Kallikrein Inhibition Assay	The chromogenic substrate D-Pro-Phe-Arg-pNa, 2HCl (BIOPHEN CS-31(02) from Hyphen BioMed, Neuville-Sur-oise, France) was dissolved in 5 mL deionized water and stored at 4° C. Concentration was determined in the spectrophotometer at 342 nm using an extinction coefficient of 8270. All other chemicals were of analytical grade.Human plasma kallikrein was purchased from Enzyme Research Labs (South Bend, Ind., USA, batch HPKa 2830). A stock solution of 7 &#956;M in 50% glycerol was stored at &#8722;20° C.Enzyme reactions were conducted in assay buffer comprised of 20 mM HEPES at pH 7.4, 150 mM NaCl, 0.1% PEG-8000 and 0.01% Triton X-100.Both enzyme and substrate were diluted in assay buffer.The compound solutions as well as the enzyme and the substrate solutions were transferred to 96-well plates (Clear, UV-Star, Flat-bottom, Half-Area plates; cat. No. 675801 Greiner Bio-one, purchased from VWR International, Arlington Heights, Ill., USA) using a Rainin LTS 96-channel pipettor (Rainin, Columbus, Ohio, USA). Plate measurements were conducted using a SPECTROStar Nano reader (BMG Labtech, San Francisco, Calif., USA). The SPECTROStar Nano is a spectrophotometer and absorbance was measured at 405 nm. We used discrete wavelength, precise, kinetic reads of 15 cycles with a 60 sec cycle time.Determination of IC50 valuesFor the determination of IC50 values, the assays were performed at room temperature in 96-well plates with a total assay volume of 85 &#956;L per well. The test compound was dissolved in 100% DMSO. The compounds were serially diluted in DMSO in a 7 point dose response. For the assays, 66.5 &#956;L of protease solution (protease in assay buffer) was added per well followed by the addition of 8.5 &#956;L of compound in 100% DMSO. The final assay concentration of the human plasma kallikrein was 250 &#956;M. After 30 min. incubation at room temperature on an orbital shaker, the reactions were started by the addition of 10 &#956;L substrate solution (in assay buffer, final assay concentration was 600 uM). After the addition of the substrate solution the final DMSO concentration was 10%. The plate was placed again on the shaker for 5 sec, spun at 2000 rpm for 5 sec and read on the spectrophotometer. The effect of the compound on the enzymatic activity was obtained from the linear part of the progress curves and determined after 15 minutes.
1066	1	Human FXR (NR1H4) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit purchased from Indigo Bioscience (Catalogue number: IB00601) to determine the potency and efficacy of compound developed by Enanta that can induce FXR activation. The principle application of this reporter assay system is to quantify functional activity of human FXR. The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 100 &#956;l containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 90 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.
1067	1	ERalpha Binding Assay	Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.In total 120 nL of compound plus DMSO were added to each well and compounds were tested in a 12-point concentration response format over a final compound concentration range of 10, 2.917, 1.042, 0.2083, 0.1, 0.0292, 0.0104, 0.002083, 0.001, 0.0002917, 0.0001042, and 0.00001 &#956;M respectively. TR-FRET dose response data obtained with each compound was exported into a suitable software package (such as Origin or Genedata) to perform curve fitting analysis. Competitive ER alpha binding was expressed as an IC50 value. This was determined by calculation of the concentration of compound that was required to give a 50% reduction in tracer compound binding to ER alpha-LBD.
1069	1	OCT3 inhibitory activity	An existing amount of the OCT3 protein can be estimated from an amount of a compound free in the extracellular fluid in a method similar to a method described in Japanese Patent No. 1936624. In the experiment, HEK293 cells, which are human embryonic kidney cell lines expressing the human organic cation transporter 3 (OCT3) are prepared as a positive control, and cell lines the OCT3 expression of which is desired to be checked are prepared as test cells. The cells are seeded at 1.5×105 cells/well in a 24-well plate and cultured overnight in a carbon dioxide incubator. After being dissolved in a 100% DMSO solution, the test substance was dissolved in a HBSS-HEPES solution (a buffer solution adjusted to pH 7.4 with 1M sodium hydroxide, by dissolving 9.7 g of Hanks balanced salt, 25 mL of 1.4% sodium bicarbonate, and 25 mL of 1M HEPES in 940 mL of ultrapure water). After a cell culture medium is removed, a pretreatment for 5 minutes is performed with 1 mL of the HBSS-HEPES solution. Thereafter, the compound of the present invention as the test substance and histamine (final concentration: 100 nM) are added to the cells and allowed to react for 1 minute at room temperature. After completion of the reaction, the reaction is stopped with the ice-cooled HBSS-HEPES solution, and extracellular fluid is collected.
1070	1	Inhibitory Effect of the Compounds on PHD2	The interaction between hypoxia-inducible factor HIF-1&#945; and VBC complex (von Hippel-Lindau protein-Elongin B-Elongin C, VBC) was detected by Fluorescence polarization (FP) method, to measure the enzyme inhibitory activity of the HIF Prolyl hydroxylases 2 (PHD2) inhibitor compounds.To a NETN (20 mM Tris.HCl, 100 mM NaCl, 1 mM EDTA, 0.5% NP-40, 1 mM PMSF) buffer containing 200 &#956;M ascorbic acid, 20 &#956;M &#945;-ketoglutaric acid, 100 &#956;M FeCl2 was added FAM-HIF (556-575) at a final concentration of 1 &#956;M in the dark. Subsequently, the desired concentration of the test compound or the positive compound was added (the compound was replaced by the buffer in the negative control and the positive control). Finally, PHD2 was added at a final concentration of 0.5 &#956;g/&#956;l (PHD2 was replaced by the buffer in the negative control). They were mixed well and allowed to stand at room temperature for 30 minutes in the dark followed by 95° C. water bath for 1 minute, and then the reaction was terminated. After the temperature drops to room temperature, the sample was prepared well for use. EBC buffer (50 mM Tris.HCl, 120 mM NaCl, 0.5% NP-40) was added to the corresponding wells of a black 96-well test plate. A GST-VBC complex was added to the corresponding test wells at a final concentration of 300 nM (using the wells containing only EBC buffer as blank wells). Subsequently, the corresponding PHD2 prolyl hydroxylation reaction sample was added in the dark as a substrate with a final concentration of 100 nM. After mixing well, the lateral and longitudinal fluorescence intensity values were measured using a full-wavelength multifunctional microplate reader (TECAN infinite M1000) at an excitation wavelength of 407 nm and an emission wavelength of 518 nm.
1071	1	Inhibitory Activity on Human ACC1 and the ACC2	Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (50 mM HEPES-KOH (pH 7.4), 10 mM magnesium chloride, 6-10 mM potassium citrate, 4 mM reduced form of glutathione, 1.5 mg/ml bovine serum albumin) for one hour. Then, 0.2 &#956;L of each this invention compound solution (in DMSO) were dispensed to 384-well microplate, 5 &#956;L of the preincubated enzyme solution and 5 &#956;L of substrate solution (50 mM HEPES-KOH (pH 7.4), 1 mM ATP, 0.8 mM acetyl CoA and 25-50 mM potassium bicarbonate) were added to microplate. After centrifugation and shaking, the reaction mixtures were incubated in a humidified box at room temperature for 1 to 3 hours. After the incubation, the enzyme reactions were stopped by the addition of EDTA. Then, after the samples were cocrystallized with CHCA (&#945;-cyano-4-hydroxy cinnamic acid) matrices on MALDI target plate, by using the matrix assist laser deionization time-of-flight mass spectrometer (MALDI-TOF MS), samples were measured in reflector negative mode. Deprotonated ions of acetyl CoA (AcCoA) of substrate and malonyl CoA (MalCoA) of the reaction product were detected, then, the conversion rates of acetyl CoA to malonyl CoA was calculated by the intensity of [MalCoA-H]&#8722;/(Intensity of [MalCoA-H]&#8722;+Intensity of [AcCoA-H]&#8722;) using each signal strength. The 50% inhibitory concentration (IC50) was calculated from the inhibition rate of the enzymatic reaction at each concentration of the compounds. In addition, potassium citrate concentrations in assay buffer solution, potassium hydrogen carbonate concentrations in substrate solution and incubation time were adjusted by each lot of enzyme.
1072	1	HBsAg Assay	HepG2.2.15 cells (Acs et al. Proc Natl Acad Sci USA, 84, (1987), 4641-4), a constitutively HBV-expressing cell line were cultured in DMEM+Glutamax-I medium (Invitrogen, Carlsbad, Calif., USA), supplemented with 10% fetal bovine serum (Invitrogen) and G418 (Invitrogen) at a final concentration of 200 mg/L and maintained in 5% CO2 at 37° C. The HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2) was used to measure the levels of secreted HBV antigens semi-quantitatively. For the detection 50 &#956;L/well culture supernatant was used and HBsAg was quantified using HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2), 50 &#956;L of the supernatant was transferred to the CLIA assay plate and 50 &#956;L of enzyme conjugate reagent was added into each well. The plates were sealed and gently agitated for 1 hour at room temperature. The supernatant-enzyme-mixture was discarded and wells were washed 6 times with 300 &#956;L of PBS. The residual liquid was removed by plating the CLIA plate right side down on absorbent tissue paper. 25 &#956;L of substrates A and B were added to each well. Luminance was measured using a luminometer (Mithras LB 940 Multimode Microplate Reader) after 10 minutes incubation. Dose-response curves were generated and the IC50 value was extrapolated by using the E-WorkBook Suite (ID Business Solutions Ltd., Guildford, UK). The IC50 was defined as the compound concentration (or conditioned media log dilution) at which HBsAg secretion was reduced by 50% compared to the no drug control.
1073	1	Human TLR7 Assay	Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the reporter gene was maintained by selection with the antibiotic zeocin. The most common variant sequence of human TLR7 (represented by the EMBL sequence AF240467) was cloned into the mammalian cell expression vector pUNO and transfected into this reporter cell-line. Transfectants with stable expression were selected using the antibiotic blasticidin. In this reporter cell-line, expression of secreted alkaline phosphatase (SEAP) is controlled by an NFkB/ELAM-1 composite promoter comprising five NFkB sites combined with the proximal ELAM-1 promoter. TLR signaling leads to the translocation of NFkB and activation of the promoter results in expression of the SEAP gene. TLR7-specific activation was assessed by determining the level of SEAP produced following overnight incubation of the cells at 37° C. with the standard compound in the presence of 0.1% (v/v) dimethylsulfoxide (DMSO). Concentration dependent induction of SEAP production by compounds was expressed as the concentration of compound which produced half of the maximal level of SEAP induction for that compound (EC50). TLR7 activity for compounds of the present disclosure was assessed using the human TLR7 assay.
1073	2	Human TLR8 Assay	TLR8/NF-kB/SEAPorter HEK 293 Cell Line (Imgenex Corporation) is a stably co-transfected cell line which expresses full-length human TLR8 and the secreted alkaline phosphatase (SEAP) reporter gene under the transcriptional control of an NF-&#954;B response element. TLR8 expression in this cell line has been tested by flow cytometry. Transfectants with stable expression were selected using the antibiotic blasticidin and geneticin. TLR signaling leads to the translocation of NF-&#954;B and activation of the promoter results in expression of the SEAP gene. TLR8-specific activation was assessed by determining the level of SEAP produced following overnight incubation of the cells at 37° C. with the standard compound in the presence of 0.1% (v/v) dimethylsulfoxide (DMSO). Concentration dependent induction of SEAP production by compounds was expressed as the concentration of compound which produced half of the maximal level of SEAP induction for that compound (EC50). TLR8 activity for compounds of the present disclosure was assessed using the human TLR8 assay.
1075	1	HCV Replicon Luciferase Assay	To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with HCV replicon cells (50 &#956;L at a density of 2.4×103 cells/well) in DMEM containing 4% FBS (final DMSO concentration at 0.5%). After 3 days incubation at 37° C., cells were analyzed for Renilla Luciferase activity using the EnduRen substrate (Promega cat #E6485) according to the manufacturer&#39;s directions. Briefly, the EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 &#956;M. The plates were incubated for at least 1 h at 37° C. then read on a Viewlux Imager (PerkinElmer) using a luminescence program. The 50% effective concentration (EC50) was calculated using using the four-parameter logistic formula noted above.To assess cytotoxicity of compounds, Cell Titer-Blue (Promega) was added to the EnduRen-containing plates and incubated for at least 4 h at 37° C. The fluorescence signal from each well was read using a Viewlux Imager. All CC50 values were calculated using the four-parameter logistic formula.
1076	1	FLIPR Ca2+ Flux Assay	 All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
1077	1	ASK1 Kinase Assay	The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents necessary to run an assay. Firstly, the compounds, enzyme, substrate and ATP were diluted in provided assay buffer. The final concentration of the enzyme was 50 nM, substrate (Myelin basic protein) 1 &#956;g/ml and ATP 10 &#956;M. The compound and the enzyme were pre-incubated in a 384 well white solid bottom plate (Greiner, Cat#784075) for 10 minutes. After incubation, the substrate and ATP were added and incubated for further 60 minutes. After 60 minutes, ADP-Glo&#153; was added and plate was incubated for another 40 minutes. After 40 minutes, Kinase Detection Reagent was added and the plate was incubated for 45 minutes. After 45 minutes, plate was read on Perkin Elmer EnVision using luminescence read (0.5 seconds/well).
1077	2	MYLK/MLCK Assay	MYLK dissociation constants (Kd) for compounds were determined using the DiscoverX KdELECT platform. The MYLK kinase (accession number NP_444254.3) was labeled with a DNA tag for subsequent qPCR readout while a known active site binding ligand (staurosporine) was immobilized on a solid support (beads). Test compounds were prepared as 111X stocks in 100% DMSO and Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. The assay plates were incubated at room temperature with shaking for 1 hour to equilibrate. The affinity beads were washed (lx PBS, 0.05% Tween 20) to remove unbound kinase and quantify MYLK captured on solid support by qPCR. The Kd was determined by measuring the amount of MYLK captured on the solid support as a function of the test compound concentration. The Kd values were calculated by fitting dose-response curves to the Hill binding equation using the Levenberg-Marquardt algorithm.
1077	3	Inhibition of LPS-induced TNFalpha in Human PBMCs	Cryopreserved human PBMCs were obtained from AllCells (cat# PB003F). After thawing/dilution protocols using RPMI medium supplemented with 5% FBS (heat inactivated), 100 ul/well of 1×106 cells/ml were plated into 96 well tissue culture plates (Corning). Cells were then pre-incubated for 1 hr at 37° C. in humidified 5% CO2 and 95% air with test compounds diluted in DMSO (final DMSO concentration 0.3%). Each compound was tested at 10 concentrations in duplicate wells. After the pre-incubation, 100 ng/ml LPS (E. Coli; Sigma) in RPMI media with 5% FBS was added for a 6 hr incubation at 37° C. in humidified 5% CO2 and 95% air. Controls on each plate included cells and LPS only, cells and media only (no LPS), and media only. After the 6 hr incubation, plates were centrifuged and the supernatants transferred to a new plate and frozen for subsequent TNFalpha analysis. Human TNFalpha was analyzed by ELISA according to the manufacturer&#39;s instructions (BD Sciences, BD OptEIA Cat#550610) and analyzed on a SpectraMax M series (Molecular Devices) microplate reader at OD 450 nm. IC50s were calculated using XLFit4 curve fitting software (IDBS) and a 4-parameter one-site sigmoid dose response fit.
1079	1	TR-FRET Assay	The cDNA for the soluble part of the human 13-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in &#8722;80° C. in Tris buffer, pH 9.2 and had a purity of 40%.The enzyme (truncated form) was diluted to 6 &#956;g/mL (stock 1.3 mg/mL) and the TruPoint BACE1 Substrate to 200 nM (stock 120 &#956;M) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 &#956;L) was added to the plate then 1 &#956;L of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes. Substrate (10 &#956;L) was then added, mixed and the reaction proceeded for 15 minutes at r.t. The reaction was stopped with the addition of Stop solution (7 &#956;L, NaAcetate, pH 9). The fluorescence of the product was measured on a Victor II plate reader with an excitation wavelength of 340 nm and an emission wavelength of 615 nm. The assay was performed in a Costar 384 well round bottom, low volume, non-binding surface plate (Corning #3676). The final concentration of the enzyme was 2.7 &#956;g/mL; the final concentration of substrate was 100 nM (Km of &#152;250 nM). The dimethylsulphoxide control, instead of test compound, defined the 100% activity level and 0% activity was defined by wells lacking enzyme (replaced with reaction buffer). A control inhibitor was also used in dose response assays and had an IC50 of &#152;150 nM.
1081	1	TR-FRET Kinase Assay	CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in 100% DMSO to white low volume assay plates (Perkin Elmer Proxiplate 6008289) using a Labcyte Echo acoustic dispenser. Assay reagents in serine/threonine kinase assay buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM Na3VO4, and 0.0075% Triton X-100. were added for final reaction mixture concentrations of 1000 &#956;M ATP, 100 nM U-light MBP peptide (Perkin Elmer TRF0109M) and reaction initiated with 4 nM CDK9/Cyclin T1 (Carna Biosciences 04-110). The kinase reaction was carried out for 30 minutes before addition of stopping buffer to a final of 20 mM EDTA and 0.5 nM of LANCE Ultra Europium anti-phospho-MBP antibody (PerkinElmer TRF0201M) in LANCE detection buffer (PerkinElmer CR97-100). The reaction was equilibrated for 1 hour and the signal read in the Perkin Elmer Envision in TR-FRET mode (excitation at 320 nm and emission at 615665 nm).
1083	1	Fluorometric Assay	All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30° C. QC activity was evaluated fluorometrically using H-Gln-&#946;NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, H rsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 &#956;l. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of &#946;-naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 &#956;mol pGlu-&#946;NA from H-Gln-&#946;NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30° C. utilizing the NOVOStar reader for microplates (BMG labtechnologies). The samples consisted of varying concentrations of the fluorogenic substrate, 0.1 U pyroglutamyl aminopeptidase (Qiagen) in 0.05 M Tris/HCl, pH 8.0 containing 5 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 &#956;l. Excitation/emission wavelengths were 380/460 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of 7-amino-4-methylcoumarin under assay conditions. The kinetic data were evaluated using GraFit sofware.
1085	2	PDGFR&#946; Kinase Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
1085	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of 0-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
1085	3	PKR KinaseGlo Assay	Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Massachusetts, USA). The % inhibition for the compounds is calculated using ATP only (100% inhibition) and PKR+ATP (0% inhibition). IC50 values are determined by plotting % activity versus inhibitor concentration. 
1086	1	&beta;-Secretase-Inhibiting Activity	48.5 uL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=&epsilon;-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of 96-hole half-area plate (a black plate: Corning Incorporated), and after addition of 0.5 ul of the test sample (dissolved in N,N'-dimethylformaldehyde) and 1 ul of Recombinant human an BACE-1 (R&D Systems), the reaction mixture was incubated at 30&deg; C. for 3 hours. The substrate peptide was synthesized by reacting Cryptate TBPCOOH mono SMP (CIS bio international) with Biotin n-XSEVNLDAEFRHDSGC (Peptide Institute, Inc.). The final concentrations of the substrate peptide and Recombinant human BACE-1 were adjusted to 18 nM and 7.4 nM respectively, and the reaction was performed in sodium acetate buffer (50 mM sodium acetate, pH 5.0, 0.008% Triton X-10.After the incubation for reaction, 50 ul of 8.0 ug/ml Streptavidin-XL665 (CIS bio international) dissolved in phosphate buffer (150 mM K2HPO4/KH2PO4, pH 7.0, 0.008% Triton X-100, 0.8 M KF) was added to each well and left stand at 30&deg; C. for an hour. After then, fluorescence intensity was measured (excitation wavelength: 320 nm, measuring wavelength: 620 nm and 665 nm) using Wallac 1420 multilabel counter (Perkin Elmer life sciences).
1087	1	Induced Intracellular Calcium Assay	Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induced intracellular calcium increases using a 96 well plate-based Fluorometric Imaging Plate Reader (FLIPR), and CHO cells stably expressing human mGluR1. L-glutamate induced robust calcium responses via human mGluR1 in a concentration-dependent manner and in the low micromolar range. 
1087	2	Induced Intracellular Calcium Assay	Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calcium concentration in L(tk&#8722;) cells expressing human mGluR5a receptors (see L. P. Daggett et al., Neuropharm. Vol. 34, pages 871-886, 1995) is inhibited by utilizing methods as described e.g. by L. P. Daggett et al., Neuropharm. Vol. 34, pages 871-886 (1995) and P. J. Flor et al., J. Neurochem. Vol. 67, pages 58-63 (1996).
1089	1	In Vitro Assay	Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO4.2H2O (9.6 mM), HEPES (25 mM), sucrose (280 mM), glucose (5 mM), CaCl2 (0.5 mM), and probenecid (0.1425 g in 3 mL 1N NaOH was added for 500 mL solution)] in 384-well plates. 293-rat P2X7 stable cells were incubated in HHPB (pH 7.4) [consisting of Hank&#39;s BSS (1×); HEPES (pH 7.4) (20 mM) (Sigma); probenecid (0.710 g/5 mL 1N NaOH) (Sigma); and BSA (0.05%) (Roche) which was added after the pH had been adjusted] in 384-well plates. Fluo-4 NW dye mix (Molecular Probes, Inc., Eugene, Oreg., USA) was prepared in buffer (see manufacturer&#39;s instructions). Cell plates were removed from the 37° C. incubator, the media discarded and then 30 &#956;L of dye was added to each well. Plates were placed in the 37° C., non-CO2 incubator for 30 minutes and then room temperature for 30 minutes.
1090	1	Activity Assay	Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 &#956;L of 50 mM Hepes, Ph 7.4 containing 10 mM MgCl2, 1.0 mM DTT, 0.01% Triton X-100, 0.1% Bovine Serum Albumin (BSA), containing 1.0 &#956;M fluorescent substrate and ATP at the Km for each enzyme. All reactions were terminated by addition of 20 &#956;L of 70 mM EDTA. After a 180 min incubation, phosphorylated and unphosphorylated substrate peptides were separated in buffer supplemented with 1×CR-8 on a LabChip EZ Reader equipped with a 12-sipper chip. Data were analyzed using EZ Reader software. Assay conditions for MCE assays
1091	1	Inhibitory Activity Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L) was mixed with 20 &#956;M fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 &#956;L) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm. The Ki value was calculated from the concentration of the test compound, reciprocal of reaction rate, and Km value of the enzyme substrate, and by using Dixon plot. 
1091	2	Inhibitory Activity Assay	Using a 96 well plate (#3915, Costar), a test compound (25 &#956;L), 400 mM Tris-HCl buffer (pH 8.0, 25 &#956;L) and 0.5 mg/mL fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-&#946;-Naphtylamide, 25 &#956;L) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 &#956;L) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm. The Ki value was calculated from the concentration of the test compound, reciprocal of reaction rate, and Km value of the enzyme substrate, and by using Dixon plot.
1093	1	Radioligand Binding Assay	Radioligand binding assays using recombinant CHO cell membranes expressing human GlyT1: Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
1094	1	FLIPR Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
1094	2	Electrophysiology Assay	In the alternative, the voltage clamp protocol to examine hNav1.7 currents was as follows. First, the standard current-voltage relationship was tested by pulsing the cell from the holding voltage (Vh) of &#8722;120 mV by a series of 5 msec long square-shaped test pulses incrementing in +10 mV steps over the membrane voltage range of &#8722;90 mV to +60 mV at the pace of stimulation of 0.5 Hz. This procedure determines the voltage that elicits the maximal current (Vmax). Second, Vh was re-set to &#8722;120 mV and a steady-state inactivation (SSIN) curve was taken by the standard double-pulse protocol: 100 ms depolarizing pre-pulse was incremented in steps of +10 mV (voltage range from &#8722;90 mV to 0 mV) immediately followed by the 5 ms long test pulse to &#8722;10 mV at the pace of stimulation of 0.2 Hz. This procedure determines the voltage of full inactivation (Vfull). Third, the cell was repeatedly stimulated with the following protocol, first in the absence of the test compound then in its presence. The protocol consisted of depolarizing the cell from the holding potential of &#8722;120 mV to the Vfull value for 4.5 seconds then repolarizing the cell to the holding potential for 10 ms before applying the test pulse to the Vmax for 5 ms. The amount of inhibition produced by the test compound was determined by comparing the current amplitude elicited by the test pulse in the absence and presence of the compound.
1095	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. IC50 values were calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand) (Cheng and Prusoff, 1973).
1096	1	&#954;-Opioid Receptor Binding Assay	&#954;-Opioid Receptor Binding Assay Procedures: Membranes from HEK-293 cells, CHO cells or U-2 OS cells expressing the recombinant human kappa opioid receptor (&#954;) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes from a cell line naturally expressing kappa opioid receptor can also be used. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of &#954; receptor membranes were stored at &#8722;80° C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
1096	2	&#948;-Opioid Receptor Binding Assay	&#948;-Opioid Receptor Binding Assay Procedures: &#948;-Opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin Elmer, Shelton, Conn.; 33.0 Ci/mmole) with 5 &#956;g membrane protein (Perkin Elmer, Shelton, Conn.) in a final volume of 500 &#956;l binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 &#956;M unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 500 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates are counted in a Packard Top-Count for 1 min/well.&#948;-Opioid Receptor Binding Data: In certain embodiments, Compounds of the Invention exhibit a Ki (nM) for &#948; receptors of about 10,000 or more (which, for the purposes of this invention, is interpreted as having no binding to the &#948; receptors). Certain Compounds of the Invention exhibit a Ki (nM) of about 20,000 or less for &#948; receptors. In one embodiment, Compounds of the Invention exhibit a Ki (nM) of about 10,000 or less; or of about 9000 or less for &#948; receptors. In another embodiment, Compounds of the Invention exhibit a Ki (nM) of about 7500 or less; or of about 6500 or less; or of about 5000 or less; or of about 3000 or less; or of about 2500 or less for &#948; receptors. In another embodiment, Compounds of the Invention exhibit a Ki (nM) of about 1000 or less; or of about 500 or less; or of about 350 or less; or of about 250 or less; or of about 100 or less; or of about 10 or less for &#948; receptors.
1096	3	ORL-1 Receptor Binding Assay	Radioligand binding assays (screening and dose-displacement) use 0.1 nM [3H]-nociceptin (Perkin Elmer, Shelton, Conn.; 87.7 Ci/mmole) with 12 &#956;g membrane protein in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by three filtration washes with 500 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates are counted in a Packard Top-Count for 1 min/well. The data from screening and dose-displacement experiments were analyzed using Microsoft Excel and the curve fitting functions in GraphPad PRISM&#153;, v. 3.0 or higher, respectively, or an in-house function for one-site competition curve-fitting.
1096	4	&#956;-Opioid Receptor Binding Assay	 Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
13141	1	Test of Inhibiting NAE Enzyme Activity at the Molecular Level	1. Preliminary Evaluation Experiment of Inhibiting NAE Enzyme Activity at the Molecular Level by CompoundsHomogeneous Time-Resolved Fluorescence (HTRF) technology was used to detect the in vitro inhibitory effect of the compound on NAE enzyme activity. The experimental operation steps were as follows:(1) the enzyme reaction buffer was prepared using: 50 mM HEPES (pH 7.5), 0.05% BSA, 5 mM MgCl2, 20 μM ATP, 250 μM L-glutathione;(2) a NAE enzyme (human recombinant APPBP1/UBA3) was prepared to 4 nM, and the substrate was prepared to a mixture containing 600 nM His6-NEDD8 and 320 nM GST-UBE2M/Ubc12;(3) the test compound was diluted to 40 μM, and then a 10 times gradient dilution was performed;(4) 10 μL of reaction system was prepared in a 384-well plate, and 5 μL of NAE enzyme, 2.5 μL of mixed substrate and 2.5 μL of test compound were added. The final reaction system included: 2 nM NAE enzyme, 150 nM His6-NEDD8, 80 nM GST-UBE2M/Ubc12 and 10 μM starting test compound. Two repeated wells per group were set up, and a negative control without enzyme and an enzyme group control were additionally set up;(5) the plate was incubated on a shaker at 27° C. for 2 h, then added 10 μL of stop solution: 0.1 M HEPES (pH 7.5), 0.05% Tween 20, 20 mM EDTA, 410 mM KF, Anti-6HIS-Eu Cryptate (CisBio, 1:200), Anti-GST-XL665 (CisBio, 1:200);(6) the plate was left at room temperature overnight, then the plate was read with a fluorescence enzyme-labeled instrument (PE Envision) with excitation light source of Lance and absorption wavelength of 620 nm/665 nm.(7) the inhibition rate of the compound was calculated by the following formula:a. Reading processing: (665/620)*10000 mean value−mean value of negative control groupb.Inhibition⁢rate⁢(%)=(1-mean⁢value⁢of⁢compound⁢groupmean⁢value⁢of⁢enzyme⁢control⁢group)×1⁢0⁢0C. IC50 was calculated with a GraphPad software.
13142	1	SGLT1 Glucose Transport Test	1) Experimental buffer: 10 mM 4-hydroxyethylpiperazine ethanesulfonic acid (HEPES), 1.2 mM magnesium chloride (MgCl2), 4.7 mM potassium chloride (KCl), 2.2 mM calcium chloride (CaCl2) and 120 mM sodium chloride (NaCl).2) The compound was diluted with 100% dimethyl sulfoxide (DMSO) with 1 mM as the starting concentration and 8 points of 5-fold serial dilutions.3) 3 μM [14C]-labeled methyl α-D-glucopyranoside was prepared with experimental buffer.4) The cells were treated with 49 μL of experimental buffer, 1 μL of the compound which was gradient diluted, and 50 μL of 3 μM [14C] isotope-labeled sugar solution at 37° C. for 2 hours.5) The isotope detector (Micro beta Reader) was used to read.6) The data was calculated by GraphPad Prism 5.0 software: log(inhibitor) vs. response—Variable slope to obtain the IC50 value of the test compound
13142	2	SGLT2 Glucose Transport Test	1) Experimental buffer: 10 mM 4-hydroxyethylpiperazine ethanesulfonic acid (HEPES), 1.2 mM magnesium chloride (MgCl2), 4.7 mM potassium chloride (KCl), 2.2 mM calcium chloride (CaCl2)) and 120 mM sodium chloride (NaCl).2) Termination buffer: 10 mM 4-hydroxyethylpiperazine ethanesulfonic acid (HEPES), 1.2 mM magnesium chloride (MgCl2), 4.7 mM potassium chloride (KCl), 2.2 mM calcium chloride (CaCl2), 120 mM sodium chloride (NaCl) and 1 μM LX4211.3) The compound was diluted with 100% dimethyl sulfoxide (DMSO) with a starting concentration of 10 μM and 8 points of 5-fold serial dilution.4) 6 μM [14C]-labeled methyl α-D-glucopyranoside was prepared with experimental buffer.5) The cells were treated with 49 μL of experimental buffer, 1 μL of gradient diluted compound, and 50 μL of 6 μM [14C]isotope-labeled sugar solution at 37° C. for 2 hours.6) The liquid in the well was aspirated and the cells were rinsed 3 times with termination buffer.7) The cells were lysed with 50 μL of 10% sodium hydroxide solution, the cell lysate was aspirated into the scintillation tube, and 2 mL of scintillation fluid was added.8) An isotope detector (Tricarb) was used to read.9) The data was calculated by GraphPad Prism 5.0 software: log(inhibitor) vs. response—Variable slope to obtain the IC50 value of the test compound. 
13142	3	rhDPP4 inhibitor screening experiment	The inhibitory activity of the compounds on recombinant human dipeptidyl peptidase 4 (rhDPP4) was evaluated by measuring the median inhibitory concentration (IC50) value of the compounds. In this experiment, rhDPP4 was used to catalyze a substrate to produce luciferin, and reacted with luciferase to produce light signals, wherein the substrate is the luminescent precursor glycine-proline-aminofluorescein (Gly-Pro-aminoluciferin). The intensity of the light signal is directly proportional to the enzyme activity.2. Experimental Method1) 250 nL of gradient diluted compound (4 times dilution, 10 detection concentrations) was transferred to a 384-well plate (PerkingElmer-6007299) using a non-contact nano-upgraded acoustic pipetting system (ECHO). The concentration of dimethylsulfoxide (DMSO) concentration was 0.5% in the final reaction system. Blank control wells (containing DMSO, substrate and 10 mM of tris(hydroxymethyl)aminomethane hydrochlorid (Tris-HCl)) and positive control wells (containing DMSO, substrate and rhDPP4) were set.2) The pre-packed frozen buffer containing luciferase was taken out and restored to room temperature, and then added with substrate to prepare a working solution with a substrate concentration of 20 μM. The rhDPP4 was prepared as a 0.2 ng/mL working solution with 10 mM Tris-HCl (pH8.0) aqueous solution.3) 25 μL of working solution containing 20 μM substrate and 25 μL of working solution containing 0.2 ng/mL rhDPP4 were added to the 384-well plate with the compound added already. The plate was centrifuged at 1000 rpm for 30 s. The plate was sealed with aluminum foil sealing film and incubated at room temperature for 1 hour.4) The light signal intensity was detected with a multi-function enzyme label detector EnVision. The raw data was used to calculate the inhibition activity of the compounds on rhDPP4.
1097	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
1097	2	Electrophysiology Assay	Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc., Herndon, Va.) and incubated in a 5% CO2 incubator at 37° C. CuItured cells were used approximately 12-48 h after plating.Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system was used to apply test solutions directly to the cell under evaluation. This system consists of an array of glass pipette glass connected to a motorized horizontal translator. The outlet of the shooter was positioned approximately 100 &#956;m from the cell of interest.Whole cell currents were recorded using the whole-cell patch clamp configuration using an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.), 1322A A/D converter (Axon Instruments) and pClamp software (v. 8; Axon Instruments) and stored on a personal computer. Gigaseals were formed and the whole-cell configuration was established in voltage clamp mode, and membrane currents generated by hNav1.7 were recorded in gap-free mode. Borosilicate glass pipettes have resistance values between 1.5 and 2.0 M&#937; when filled with pipette solution and series resistance (<5 M&#937;) was compensated 75-80%. Signals were sampled at 50 kHz and low pass filtered at 3 kHz.Voltage Protocols: After establishing the whole-cell configuration in voltage clamp mode, two voltage protocols were run to establish: 1) the holding potential; and 2) the test potential for each cell.
1098	1	Radioligand Binding Assay	Binding assays were performed as described in [J. A. O&#39;Brien et al. Mol Pharmacol., 2003, 64, 731-740] with slight modifications, including that a radioligand that binds to the methyl-5-(2-pyridinylethynyl)pyridine (MPEP) binding site was used in place of [3H]-MPEP. Briefly, after thawing, the membrane homogenates were resuspended in 50 mM Tris-HCl and 0.9% NaCl binding buffer at pH 7.4 to a final assay concentration of 20 g protein/well for radioligand filtration binding. Incubations included 5 nM radioligand, membranes and either buffer or varying concentrations of compound. Samples were incubated for 60 min at room temperature with shaking. Non-specific binding was defined with 10 &#956;M cold MPEP when using the radioligand. After incubation, samples were filtered over a GF/C filter (presoaked in 0.25% polyethyleneimine (PEI)) and then washed 4 times using a Tomtec Harvester 96 Mach III cell harvester (Tomtec, Hamden, Conn.) with 0.5 mL ice-cold 50 mM Tris-HCl (pH 7.4). IC50 values were derived from the inhibition curve and Ki values were calculated according to the Cheng and Prusoff equation of Ki=IC50/(1+[L]/Kd) described in [Y. Cheng and W. H. Prusoff Biochem. Pharmacol. 1973, 22, 3099-3108] where [L] is the concentration of radioligand and Kd is its dissociation constant at the receptor, derived from the saturation isotherm.
1099	1	Btk In Vitro Inhibitory Assay	Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6×-His tag. Btk kinase activity was determined using a radiometric filter binding assay. Measurements are performed in a low &#956;L reaction volume 384-well assay plates. BTK enzyme (8 nM final in reaction), inhibitor (at requested doses), and 0.2 mg/mL peptide substrate (Poly-Glu-Tyr, 4:1 ratio) are incubated in a reaction buffer composed of 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO for 15 min. followed by addition of 1 &#956;M ATP to start the assay. Kinase reactions are carried out for 120 min. at room temperature. The reaction was stopped by spotting of reaction sample onto P81 cationic exchange paper (Whatman). Unbound phosphate was removed by extensive washing of filters in 0.75% Phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme (via addition of saturating EDTA), kinase activity data for each dose of compound tested was expressed as the percent of remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions.
1099	2	HotSpot kinase Assay	The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP).
1100	1	Spectrophotometric Assay	This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a continuous method, that was derived by adapting a previous discontinuous assay (Bateman, R. C. J. 1989 J Neurosci Methods 30, 23-28) utilizing glutamate dehydrogenase as auxiliary enzyme. Samples consisted of the respective QC substrate, 0.3 mM NADH, 14 mM &#945;-Ketoglutaric acid and 30 U/ml glutamate dehydrogenase in a final volume of 250 &#956;l. Reactions were started by addition of QC and persued by monitoring of the decrease in absorbance at 340 nm for 8-15 min.The initial velocities were evaluated and the enzymatic activity was determined from a standard curve of ammonia under assay conditions. All samples were measured at 30° C., using either the SPECTRAFluor Plus or the Sunrise (both from TECAN) reader for microplates. Kinetic data was evaluated using GraFit software.
1102	1	Enzymatic Inhibitory Assay	1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. The compound was formulated in 100% DMSO in a concentration gradient, and deposited to a 384-well plate with a final DMSO concentration of 1%.3. PI3K&#945;, PI3K&#948;, PI3K&#946; and PI3K&#947; enzymes (purchased from EMD Millipore) were diluted to the optimal concentration with the following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT, transferred to a 384-well plate and incubated with the compound for a certain time.4. The substrate was diluted to an optimal concentration with the following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT, 50 &#956;M PIP2, 25 &#956;M ATP and added to the 384-well plate to initiate the reaction. PI3K&#945;, PI3K&#946; and PI3K&#947; were allowed to react for 1 h at room temperature, and PI3K&#948; reacted for 2 hours at room temperature. Another 10 &#956;L ADP-Glo Detection Reagent also needed to be added for PI3K&#946; and PI3K&#947;, and then equilibrated at room temperature for 30 minutes.5. Luminescence was read by using Flexstation, and the inhibition rate was calculated as the average value of two tests.
1103	1	In Vitro hLTC4 Synthase Enzyme Assay	In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-values for the compounds, the following procedure was used:10 mL of 0.6 nM of human recombinant purified LTC4 synthase expressed from Pichia Pastoris in buffer 50 mM tris (pH 7.5), 0.05% BSA 0.03% DD M 100 mM NaCl was preincubated for 30 min with 10 mL of substrate mix containing 6 mM LTA4-methyl ester substrate and 1 mM glutathione in 50 mM Tris pH7.5 0.05% BSA 0.03% DDM 100 mM NaCl together with 0.1 &#956;L of compound of interest in DMSO at ten different concentrations, typically in the range 10&#8722;9.5-10&#8722;5 M as well as with DMSO only.The enzymatic reaction is initiated by addition of 10 &#956;L LTC4S enzyme solution to 10 &#956;L substrate solution to the assay plate containing 0.5 mL of compound in DMSO or 0.5 mL DMSO control-The reaction is stopped after 30 min by addition of 40 &#956;L 75% (w/v) acetonitrile in H2O.After stopping the reaction the LTC4 methyl ester product was detected by LCMSMS,The detected product concentration, with background subtracted, is plotted versus compound concentration and IC50 is determined as 50% of maximum inhibition.
1105	1	Binding Assay	Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by competition binding assay (Schilling K. and Liao S., The Prostate, 1984; 5(6):581-588). Cytosol preparations and 1 nM [3H]mibolerone were incubated with increasing concentrations of test compounds. To determine non-specific binding, parallel incubations were carried out using excess of unlabelled testosterone. After incubation, bound and free steroids were separated by treatment with dextran-coated charcoal suspension. Bound radioactivity was determined by counting of supernatant fraction in scintillation fluid. Radioactivity was measured using a Microbeta counter. All data points were done as quadrublicates. Dissociation constant of [3H]mibolerone for rat androgen receptor was determined by saturation binding assay obtained from ventral prostates of castrated rats essentially as described (Isomaa V. et al., Endocrinology, 1982; 111(3):833-843).
1106	1	Kinase Activity Assay	Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 hours at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #I-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at rt with shaking Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac). Plates are read using a Wallac Trilux counter. This is only one format of such assays; various other formats are possible, as known to one skilled in the art.
1107	1	Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
1109	1	Neutrophil Elastase Assay	Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bachem (Cat. No.: I-1270). All other materials were of the highest grade commercially available. The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA.Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 &#956;M final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
13143	1	Experimental Method Screening Method of ACAT1 Small Molecule Inhibitors	ACAT1 can catalyze two molecules of acetyl coenzyme A to reversibly form acetoacetyl coenzyme A. Its activity was measured through the reaction between ACAT1-catalyzed substrate acetoacetyl-coenzyme A and coenzyme A, from which the product acetyl-coenzyme A is produced. Since acetoacetyl-coenzyme A is specifically absorbed in a specific spectrum, the impact on the enzyme activity of ACAT1 can be reflected through the detection of an increase or decrease of absorption in a specific spectrum.ACAT1 recombinant proteins were expressed and purified by Escherichia coli, and the concentration of ACAT1 recombinant proteins obtained was 1 mg/mL. The buffers adopted for ACAT1 small molecule inhibitor screening were 50 mM Tris-HCl (pH 8.1), 20 mM MgCl2, and 40 mM KCl. In 200 μL of enzyme catalytic system, 1 μL of ACAT1 recombinant proteins, the substrate acetyl-coenzyme A whose final concentration was changed from 25 μM to 100 μM through a CPM probe, and small molecule inhibitors at different concentrations were added, respectively.
13144	1	Biochemical Assay	hCB1/hCB1 b Gai Cyclic AMP (cAMP) Assays: Cells were seeded in a 384-well plate at an appropriate density from frozen cells. The cAMP assays were performed according to the manufacturer&#39;s protocol using MULTISCREEN™ TR-FRET cAMP 1.0 No Wash Assay Kit. Cells (hCB1 or hCB1 b) were pre-incubated with customer compounds for 30 minutes at rt followed by addition of EC80 CP55940 concentration and Forskolin. Cells were then incubated for 20 minutes at 37C. The reaction was terminated by sequentially adding sequentially adding MULTISCREEN™ Eu-labeled cAMP and MULTISCREEN™ 650-labeled anti-cAMP antibody in lysis buffer. The plate was then incubated at rt for 30 minutes before reading fluorescent emissions at 620 nm and 665 with excitation at 314 nm on FlexStation III (Molecular Devices).
1110	1	TR-FRET Assay Protocol I	Recombinant,HIS-tagged ROR&#947;-LBD was expressed in SF9 cells using a baculovirus expression system. Cells were lysed and the lysate was used as a source for ROR&#947;-LBD for the assay. A 1:80 dilution of ROR&#947;-LBD lysate in assay buffer (25 mM HEPES pH 7.0, 100 mM NaCl, 0.01% Tween, 0.1% BSA) was prepared and 5 &#956;L was added to each well (ROR&#947;-LBD final concentration 3 nM). Control wells received lysate from SF9 cells not expressing ROR&#947;-LBD.Compounds to be tested were diluted to 100× final test concentration in DMSO and further diluted to 4× final test concentration using assay buffer to provide the test compound mixture. An aliquot (5 &#956;L) of the test compound mixture was added to each well.A 4× stock of biotinylated-LXXLL peptide from SRC1-2 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) was prepared in assay buffer and a 5 &#956;L aliquot added to each well (450 nM final concentration). A 4× solution of europium tagged anti-HIS antibody (2 nM final concentration) and APC conjugated streptavidin (60 nM final concentration) were prepared and a 5 &#956;L aliquot added to each well.The final assay mixture was incubated for 4 hours to overnight, and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s).
1110	2	TR-FRET Assay Protocol II	HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing recombinant protein were lysed in TBS buffer (25 mM Tris, pH 8.0, 150 mM NaCl) under sonication. The lysate was added to the purified ROR&#947;-LBD in a volume equivalent of 0.75 &#956;L lysate (from 30,000 SF9 cells) per 75 femtomol of ROR&#947;-LBD protein. The resulting mixture was diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 0.01% BSA) to obtain ROR&#947;-LBD protein at a final concentration of 3 nM.Compounds to be tested were injected to the assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) was prepared in assay buffer and added to each well (100 nM final concentration). A solution of Europium tagged anti-HIS antibody (1.25 nM final concentration) and APC-conjugated streptavidin (8 nM final concentration) were also added to each well.The final assay mixture was incubated overnight at 4° C., and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). The EC50 value for test compounds was calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm
1112	1	ASK1 Kinase Assay	The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents necessary to run an assay. Firstly, the compounds, enzyme, substrate and ATP were diluted in provided assay buffer. The final concentration of the enzyme was 50 nM, substrate (Myelin basic protein) 1 &#956;g/ml and ATP 10 &#956;M. The compound and the enzyme were pre-incubated in a 384 well white solid bottom plate (Greiner, Cat#784075) for 10 minutes. After incubation, the substrate and ATP were added and incubated for further 60 minutes. After 60 minutes, ADP-Glo&#153; was added and plate was incubated for another 40 minutes. After 40 minutes, Kinase Detection Reagent was added and the plate was incubated for 45 minutes. After 45 minutes, plate was read on Perkin Elmer EnVision using luminescence read (0.5 seconds/well).
1112	2	MYLK/MLCK Assay	MYLK dissociation constants (Kd) for compounds were determined using the DiscoverX KdELECT platform. The MYLK kinase (accession number NP_444254.3) was labeled with a DNA tag for subsequent qPCR readout while a known active site binding ligand (staurosporine) was immobilized on a solid support (beads). Test compounds were prepared as 111X stocks in 100% DMSO and Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. The assay plates were incubated at room temperature with shaking for 1 hour to equilibrate. The affinity beads were washed (lx PBS, 0.05% Tween 20) to remove unbound kinase and quantify MYLK captured on solid support by qPCR. The Kd was determined by measuring the amount of MYLK captured on the solid support as a function of the test compound concentration. The Kd values were calculated by fitting dose-response curves to the Hill binding equation using the Levenberg-Marquardt algorithm.
1112	3	Inhibition of LPS-induced TNFalpha in Human PBMCs	Cryopreserved human PBMCs were obtained from AllCells (cat# PB003F). After thawing/dilution protocols using RPMI medium supplemented with 5% FBS (heat inactivated), 100 ul/well of 1×106 cells/ml were plated into 96 well tissue culture plates (Corning). Cells were then pre-incubated for 1 hr at 37° C. in humidified 5% CO2 and 95% air with test compounds diluted in DMSO (final DMSO concentration 0.3%). Each compound was tested at 10 concentrations in duplicate wells. After the pre-incubation, 100 ng/ml LPS (E. Coli; Sigma) in RPMI media with 5% FBS was added for a 6 hr incubation at 37° C. in humidified 5% CO2 and 95% air. Controls on each plate included cells and LPS only, cells and media only (no LPS), and media only. After the 6 hr incubation, plates were centrifuged and the supernatants transferred to a new plate and frozen for subsequent TNFalpha analysis. Human TNFalpha was analyzed by ELISA according to the manufacturer&#39;s instructions (BD Sciences, BD OptEIA Cat#550610) and analyzed on a SpectraMax M series (Molecular Devices) microplate reader at OD 450 nm. IC50s were calculated using XLFit4 curve fitting software (IDBS) and a 4-parameter one-site sigmoid dose response fit.
1114	1	PRMT5 Biochemical Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
1118	1	PRC2 Enzyme Assays	The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). In all cases, the final concentrations were as follows: wild-type or mutant PRC2 enzyme was 4 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The final concentrations of the rest of the components are indicated in Table 5, below. The assays were stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 h before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
1119	1	[35S]GTPgammaS Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, and 0.1% (w/v) BSA with 200 mM NaCl, 3 &#956;M GDP] and membranes expressing human APJ receptor/well along with WGA PS beads. The reaction was initiated by addition of 0.2 nM [35S]GTP&#947;S (Perkin Elmer Life and Analytical Sciences, Waltham USA) in the absence or presence of various ligands and incubated at RT for 90 min. Nonspecific binding was determined in the presence of 100 &#956;M GTP&#947;S and was always less than 0.2% of total binding. All the results presented are means of several independent experiments and analyzed by non-linear regression methods using commercially available program Prism (GraphPad, San Diego, Calif.).
1121	1	ThermoFluor Assay	Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high concentration of 10 mM over 12 columns within a series (column 12 is a reference well containing DMSO, no compound). The compounds were robotically dispensed directly into assay plates (1×=46 nL) using a Hummingbird capillary liquid handling instrument (Digilab). Following compound dispense, protein and dye in buffer was added to achieve the final assay volume of 3 &#956;L, followed by 1 &#956;L of silicone oil.
1121	2	RORgammat (full-length human) Reporter Assay A	Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-ROR&#947;t fusion protein under control of a CMV promoter (NH2-Gal4-DBD:RORC COOH in pCMV-BD, Stratagene #211342), and two reporter plasmids the firefly luciferase reporter under control of a GAL4 promoter (pFR-Luc 2×GAL4) and Renilla luciferase reporter under control of CMV promoter (pRL-CMV, Promega #E2261). The full-length coding sequence was used for human ROR&#947;t, i.e., nucleotides 142-1635 of human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO:1). HEK293T cells were plated at 35000 per well in 96-well plate in medium of MEM with 8.6% FBS. After 18-22 hours incubation, the transfection was carried out by using a PEI solution with 170.5 ng total DNA/well (50 ng pCMV-BD-ROR plus 20 ng of pFR-Luc reporter and 0.5 ng of pRL-CMV reporter plus 100 ng Carrier DNA (Clontech #630440) for each well). 4-6 hours after transfection, cells were treated with compounds for overnight in the medium with final concentration of FBS 1.1% and DMSO 0.1%. After overnight (16 to 20 hours) incubation, media were removed and cells were lysed with 20 &#956;L 1× Passive Lysis Buffer (Promega) for 10-15 minutes. Luminescence was measured using a BMG LUMIstar OPTIMA plate reader, after addition of 75 &#956;L/well firefly luciferase buffer, followed by 75 &#956;L/well Renilla luciferase buffer. To calculate the effect of compounds on ROR&#947;t activity, firefly values were normalized against values of DMSO only and values of reference compound at saturating concentration, then further normalized against Renilla signals. IC50s were generated by plotting final Renilla normalized data against compound concentration and percent inhibition was calculated against DMSO control.Conditions B
1121	3	RORgammat (full-length human) Reporter Assay B	Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-ROR&#947;t fusion protein under control of a CMV promoter (NH2-Gal4-DBD:RORC COOH in pCMV-BD, Stratagene #211342), and two reporter plasmids the firefly luciferase reporter under control of a GAL4 promoter (pFR-Luc 2×GAL4) and Renilla luciferase reporter under control of CMV promoter (pRL-CMV, Promega #E2261). The full-length coding sequence was used for human ROR&#947;t, i.e., nucleotides 142-1635 of human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO:1). HEK293T cells were plated at 35,000 per well in 96-well plate in medium of DMEM with 10% FBS. After 18-22 hours incubation, the transfection was carried out by using a PEI solution with 170.5 ng total DNA/well (50 ng pCMV-BD-ROR plus 20 ng of pFR-Luc reporter and 0.5 ng of pRL-CMV reporter plus 100 ng Carrier DNA (Clontech #630440) for each well). 4-6 hours after transfection, cells were treated with compounds for overnight in the medium with final concentration of FBS 1.3% and DMSO 0.1%. After overnight (16 to 20 hours) incubation, media were removed and cells were lysed with 50 &#956;L Glo Lysis Buffer (Promega) for 10-15 minutes followed by 10 minute incubation with 50 &#956;L Dual Glo reagent (Promega) at room temperature. Firefly luciferase luminescence was measured using a BMG Pherastar plate reader. To each well, 50 &#956;L Stop and Glo reagent was added and incubated for 10 minutes at room temperature. Renilla luminescence was measured using a BMG Pherastar plate reader. To calculate the effect of compounds on ROR&#947;t activity, firefly values were normalized against values of DMSO only and values of reference compound at saturating concentration, then further normalized against Renilla signals. IC50s were generated by plotting final Renilla normalized data against compound concentration and percent inhibition was calculated against DMSO control.
1123	1	HDAC inhibitory assay	The assay is described in WO2008/062201.
1125	1	Wild-Type PRC2 Enzyme Assay 	The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and chicken erythrocyte oligonucleosome was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). The final concentrations were as follows: wild-type PRC2 enzyme was 4 nM, non-radioactive SAM was 430 nM, 3H-SAM was 120 nM, chicken erythrocyte olignonucleosome was 120 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The assay was stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the chicken erythrocyte olignonucleosome substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the chicken erythrocyte nucleosomes were immobilized to the surface of the plate, which was then washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled chicken erythrocyte oligonucleosome bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
1127	1	Radioligand Binding assay	Human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2009, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds.
1127	2	FLIPR Ca2+ Flux Assay	1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat) or 600 &#956;M (mouse)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of test concentration.
1130	1	Radioligand Binding	human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l: 10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds. The data are presented in Table 2 under the headings: P2X7 human Ki (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5. For analysis, each concentration point is averaged from triplicate values and the averaged values are plotted on Graphpad Prism.
1132	1	BRD4 AlphaLisa Binding Assay	His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-1/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD4(BD1) (30 nM final) was combined with peptide (200 nM final) in 40 mM HEPES (pH 7.0), 40 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 1.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature Alpha streptavidin donor beads and AlphaLisa anti-Flag acceptor beads were added to a final concentration of 10 ug/mL each. After three hours equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1132	2	BRD9 AlphaLisa Binding Assay	His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-11/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD9 (50 nM final) was combined with peptide (3 nM final) in 50 mM HEPES (pH 7.5), 150 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.8% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature AlphaLisa Streptavidin Acceptor Beads (Perkin-AL125C) and AlphaLisa Nickel donor beads (Perkin AS 10 ID) were added to a final concentration of 15 ug/mL each. After ninety minutes of equilibration in the dark, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1132	3	CECR2 TR-FRET Binding Assay	His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1001 (Example 49) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CECR2 (1.5 nM final) was combined with biotin-ligand (25 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 15 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 12.5 nMolar APC-SA, respectively. After forty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit. Novel compound 1001 and the CECR2 TR-FRET Binding Assay described above represent additional embodiments of the invention.
1132	4	TAF1-BD2 TR-FRET Binding Assay	His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1000 (Example 48) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate TAF1-BD2 (6 nM final) was combined with biotin-ligand (50 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 25 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit. Novel compound 1000 and the TAF1-BD2 TR-FRET Binding Assay described above represent additional embodiments of the invention.
1136	1	Enzyme Assay Data on TC-PTP	The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 &#956;l contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 mM N,N&#8242;-dimethyl-N,N&#8242;bis(mercaptoacetyl)hydrazine (DMH) and 10 &#956;M fluorescein diphosphare (FDP) or 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP). 10 &#956;l of 10 concentrations (serial dilution) of the test compound (inhibitor) dissolved in DMSO or DMSO alone for control was added to each well and the plate was mixed for 2 min. The reaction was initiated by adding 20 &#956;l of diluted TC-PTP (50 nM for FDP, 0.5 nM for DiFMUP in 50 mM Bis/Tris (pH=6.3), 2 mM EDTA, 5 mM DMH, 20% glycerol and 0.01% Triton X-100. The phosphatase activity was followed by monitoring the appearance of the fluorescent product fluorescein monophosphate (FMP) or 6,8-difluoro-7-hydroxyl-4-coumarin (DiFMU) continuously for 15-30 min, using the Spectromax Gemini fluorescent plate reader (Molecular probes) with excitation of 440 nm and emission at 530 nm (cutoff filter at 525 nm) for FDP and excitation at 360 nm and emission at 450 nm (cutoff filter at 435 nm) for DiFMUP. All the assays were done at least in duplicate. The initial rate of FMP or DiFMU formation is plotted against the concentration of inhibitor and the data was fitted to 4-parameter equation and the inflection point of the fit is the IC50.
1137	1	PRC2 Enzyme Assays	The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 L). In all cases, the final concentrations were as follows: wild-type or mutant PRC2 enzyme was 4 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The final concentrations of the rest of the components are indicated in Table 2, below. The assays were stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 h before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
1139	1	IDH2 Inhibitory Activity	The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre-incubated with an enzyme and NADPH, and then a reaction was initiated by the addition of a-KG, and performed for 120 minutes under a linear condition. Then, the reaction was terminated by the addition of diaphorase (lipoamide dehydrogenase) and the corresponding substrate resazurin. Diaphorase terminated the IDH2m reaction by decreasing the available helper factor NADPH, which oxidized NADPH to NADP, and reduced resazurin to highly fluorescent resorufin. The amount of remaining helper factor NADPH after a specific reaction time was quantified via an easily detectable fluorophore.Specifically, 2.5 &#956;l of a 3-fold gradient diluted test compound was added to a 384-well plate, and then 5 &#956;l of a reaction buffer (20 mM Tris-HCl, PH7.5; 150 mM NaCl; 10 mM MgC12; 10 mM MnCl2; 0.4 mg/ml BSA and 2 mM DTT) containing 80 nM IDH2 (R172K, 40-end) and 40 &#956;M NADPH was added. Then, the resulting test mixture was incubated for 120 minutes at a temperature of 23° C., and then 2.5 &#956;l of the reaction buffer containing 4 mM &#945;-KG was added to initiate the reaction. After incubating for 120 minutes at room temperature, 5 &#956;l of a termination mixture (0.4 U/ml diaphorase and 40 &#956;M resazurin) prepared with the reaction buffer was added to convert resazurin to resorufin to determine the remaining NADPH. After incubating for 10 minutes at a temperature of 23° C., a fluorescence value was determined through Flexstation 3 at Ex535/Em595.
1149	1	Inhibition of Specific Binding to the Rat NR1/NR2B Receptor	After thawing on the day of the assay, a 5 ml membrane aliquot was centrifuged at 48000 g for 30 min at 4° C. The pellet was resuspended in 5 ml of 5 mM Tris/1 mM EDTA buffer, pH 7.4, homogenized for 30 sec at 20000 rpm with an Ultraturrax and centrifuged at 48000 g for 30 min at 4° C. This was repeated twice. The final pellet was homogenized in 5 ml of 5 mM Tris/1 mM EDTA buffer at 4° C. with an Ultraturrax and used for the Ifenprodil-binding assay as described in the following.The incubation mixture of 200 &#956;l contained 5 nmol/l [3H]-Ifenprodil, an optimised amount of membrane preparation, 5 mM Tris/1 mM EDTA (pH 7.4, 100 &#956;M R(+)-3-PPP, 1 &#956;M GBR-12909, 1 &#956;M GBR-12935) and test compound in 1% DMSO. Nonspecific binding was estimated in the presence of 10M CP101.606. The samples were incubated for 60 min. at 4° C.The incubation was terminated by filtration of the membrane preparations using Filtermat B (Pharmacia, Uppsala Sweden) and a Micro Cell Harvester (Skatron, Lier, Norway). The Filtermat B had been presoaked with 1% polyethylene imine and carefully washed with 50 mM Tris/HCl-buffer pH 7.7 after the filtration to separate free and bound radioactivity. The filters were counted in a scintillation counter (Betaplate 1205, Berthold, Wildbad, Germany) in order to determine the specific binding of [3H]-Ifenprodil.The optimal amount of membrane preparation in the assay was determined and optimized for each membrane preparation separately before the test.Test compounds were either screened at 6 to 10 increasing concentrations for the determination of IC50 and Ki or at 2-4 concentrations for the determination of the percent inhibition. For pipetting of the incubation mixture the robot Biomek2000 (Fa. Beckman) was used.
1149	2	Human NR2B calcium influx assay	The medium was removed and the cells were loaded with 200 &#956;l loading buffer (Molecular Devices) in Mg2+-free HBPS containing 100 &#956;M 7-CKA at 37° C. for one (1) hour. The test compounds were then solubilized in 100% DMSO and diluted to yield eight (8) different concentrations in 100% DMSO. A 96 well drug plate was prepared by diluting with water and glycine/glutamate to a 5-fold of final test concentration. Fluorescence intensity of the cells in the plate was measured in a FlexStation using an excitation wavelength of 485 nm and an emission wavelength of 525 nm. Twenty (20) seconds after starting the recordings the compounds together with the agonists glycine (100 &#956;M) and glutamate (100 &#956;M) were added into the wells and the fluorescence measured for ninety (90) seconds in summary.
1149	3	Inhibition of Specific Binding to the hERG-Receptor (HERGBD)	After thawing on the day of the assay, the membrane suspension was diluted further with 20 mM HEPES/0.1 mM KCl/pH 7.2.The incubation mixture of 200 &#956;l contained 1.5 nmol/l 3H-Dofetilide, optimized amount of membrane preparation, 20 mM HEPES/0.1 mM KCl/(pH 7.2) and inhibitor in 1% DMSO. Nonspecific binding was estimated in the presence of 10 M Dofetilide. The samples were incubated for 90 min. at RT.Binding was terminated by filtration of the incubated membrane preparations using Filtermat B (Pharmacia, Uppsala Sweden) and a Micro Cell Harvester (Skatron, Lier, Norway). The Filtermat B had been presoaked with 1% polyethylen imine and carefully washed with 0.05 M Tris/HCl-buffer pH=7.7 after the filtration to separate free and bound radioactivity. The filters were counted in a scintillation counter (Betaplate 1205, Berthold, Wildbad, Germany) in order to determine the specific binding of [3H]-Dofetilide.
1150	1	Inhibitory Activity Against Human Renin	A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotometer before starting an enzymatic reaction (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Recombinant human renin was added and the mixture was incubated at 37° C. for 1 hour, and the fluorescence intensity was measured after the reaction using a fluorophotometer (exciting wavelength: 340 nm, measuring wavelength: 460 nm). Renin activity was evaluated on the ground of fluorescence intensity which was obtained by deduction of the intensity before the reaction from the intensity after the reaction, and 50% inhibitory concentration (IC50) was calculated from renin activities under the existence of various concentration of the test compound. 
1152	1	holoenzyme assay	A diverse compound library from NCI Developmental Therapeutics Program (DTP) was subjected to a virtual screening process to identify potential RR inhibitors. The DTP library contains 2,000 different compounds. A novel ligand binding pocket on human RRM2 identified from the X-ray crystal structure (PDB 2UW2) was selected to identify potential inhibitor compounds that were in close proximity to the RRM1/RRM2 interface but distant from the dityrosyl-diiron center in order to avoid iron chelating side effects. This ligand binding pocket, which consists of 32 amino acid residues conserved among human and mouse RRM2 protein families, is in close proximity to the RRM1/RRM2 interface. The structure of the ligand binding pocket is set forth in FIG. 4. The pocket consists of helices &#945;7, &#945;8, and &#945;10 at the C-terminal domain. The narrow interior end of the V-shaped pocket is lined up with hydrophobic residues near the back of dityrosyl diiron cluster center. Polar residues such as D271, R330, and E334 that are located near the open-end of the pocket may potentially interact with the flexible C-terminus. The pocket is lined mostly with interior hydrophobic residues with charged residues exposed to the surface.
1153	1	Muscarinic 3 Receptor Binding Assay	The muscarinic 3 receptor binding assay was adapted from Perkin Elmer. Briefly, assay buffer (60 &#956;L of pH 7.4 phosphate saline buffer) was added to polypropylene round bottom 96-well microtiter plates, followed by CHO cell suspension expressing the human M3 receptor (1 mg suspension/ml; 20 ug membrane suspension per well). 3H-Scopolamine (20 &#956;L of a 7.5 nM solution) was added to each well and plates were shaken at room temperature for 2 h. Atropine (Sigma-Aldrich, St. Louis, Mo.) was used as a positive control. Test compounds and control samples were prepared in DMSO (20 mM) and diluted to give a final concentration of 20 &#956;M. The reaction mixtures were then added to matrix 96-well GFC filtration microtiter plates that had been previously pretreated with 0.5% polyethylimine (100 &#956;L) for 4 h and filtered. The binding reactions were terminated by filtering through the GFC plates and washing & filtering with ice-cold phosphate saline buffer (5×100 &#956;L). Once the filters were dry, microscint scintillation cocktail (100 &#956;L) was added to each well, allowed to sit for 20 min and the plates analyzed using a TopCount scintillation counter. Test compounds which showed >50% reduction in 3H-scopolamine binding at a final concentration of 20 &#956;M were subjected to further serial dilutions and evaluated at various concentrations to determine their IC50 value. Curve fitting of % inhibition versus concentration using Excell software allowed determination of IC50 values for test compounds.
1155	1	FLIPR Ca2+ Flux Assay	The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.All of the final compounds of the following examples had activity in antagonizing the human orexin-2 receptor in the aforementioned assays with an IC50 of about 0.1 nM to 1500 nM. All of the final compounds of the following examples had activity in the FLIPR assay with an IC50 of about 5 nM to 500 nM against the orexin-2 receptor. Additional data is provided in the following Examples. Such a result is indicative of the intrinsic activity of the compounds in use as antagonists of orexin-1 receptor and/or the orexin-2 receptor. In general, one of ordinary skill in the art would appreciate that a substance is considered to effectively antagonize the orexin receptor if it has an IC50 of less than about 50 &#956;M, or more specifically less than about 1000 nM.
1156	1	SYK Kinase Inhibition Test	Recombinant human SYK (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag. The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM. Serial Dilution is done in 100% DMSO. All further dilutions of the substances were carried out with test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% HSA; 0.01% CHAPS; 100 &#956;M Na3VO4; 0.5 mM DTT). Dilution steps and concentration range were adapted according to need. 7 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). GST-SYK was diluted to 12 nM in the test buffer and 5 &#956;l of this dilution were used in the kinase test (final concentration of SYK=4 nM in a total volume of 15 &#956;l). After 15 minutes incubation at room temperature 3 &#956;l of a mixture of 750 nM ATP and 100 &#956;g/ml poly (L-Glutamic acid L-Tyrosine 4:1), Fluka #81357) in test buffer were added to each well and the incubation was continued for a further 60 minutes at room temperature.
1156	2	Aurora B Kinase Test	Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protein with an N-terminal His tag. The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 5 mM. Serial Dilution is done in 1:10 steps in 100% DMSO. All further dilutions of the substances were carried out with test buffer (50 mM Hepes, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 60 &#956;M Ultra Pure ATP, 0.01% Brij35, 0.1% BSA, 5 mM 8-Glycerophosphate) until a concentration was reached which was 2.5 times above the final test concentration (final concentration of the compounds: 50 &#956;M to 0.005 nM). 4 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). His-Aurora B was diluted to 125 nM in the test buffer and 4 &#956;l of this dilution were used in the kinase test (final concentration of Aurora B=50 nM in a total volume of 10 &#956;l). After 15 minutes incubation at room temperature 2 &#956;l of 250 &#956;M substrate ([LRRLSLGLRRLSLGLRRLSLGLRRLSLG]; University of Dundee) in test buffer were added to each well and the incubation was continued for a further 60 minutes at room temperature.
1156	3	FLT3 Kinase Test	Recombinant human FLT3 (amino acids 564-958, Molecular weight 48.6 kDa, Invitrogen #PR4666C) was expressed with an Histidine tag.  The test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 5 mM. Serial Dilution is done in 1:10 steps in 100% DMSO. All further dilutions of the substances were carried out with test buffer (50 mM Hepes, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.1% BSA) until a concentration was reached which was 2.5 times above the final test concentration (final concentration of the compounds: 50 &#956;M to 0.005 nM). 4 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). FLT3 enzyme was diluted to 5 nM in the test buffer and 4 &#956;l of this dilution were used in the kinase test (final concentration of FLT3=2 nM in a total volume of 10 &#956;l). After 60 minutes incubation at room temperature 2 &#956;l mixture of 2.5 mg/ml substrate (Poly-Glu/Tyr; Sigma #P0275) and 2.5 mM ultra-pure ATP (Promega #V915B) in test buffer were added to each well and the incubation was continued for a further 90 minutes at room temperature.
1158	1	FLIPR Assays	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps). 
1158	2	Electrophysiology Assay	The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc., Herndon, Va.) and incubated in a 5% CO2 incubator at 37° C. Cultured cells are used approximately 12-48 h after plating.
1159	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1162	1	Inhibition of ALK5 Kinase Phosphorylation	The kinase activity of ALK5 was assessed by measuring radiolabelled phosphate[33P] incorporation into the generic substrate, casein. The kinase domain of human ALK5 (200th to 503th amino acids) was fused to the N-terminal GST/histidine tag and the kinase construct was engineered to be expressed from insect cells. The purified ALK5 protein was mixed with the casein substrate (final concentration, 2 mg/mL), and reaction buffer (containing 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT and 1% DMSO) was added thereto. DMSO solution of each test compound of formula (I) having different concentrations was prepared using pure DMSO, and each solution was delivered to the reaction mixture. 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) was delivered into the reaction mixture thus obtained for initiating the reaction, followed by incubation at room temperature for 2 hours. After incubation, the reaction solution was spotted onto P81 ion exchange paper, the paper was washed extensively with 0.75% phosphoric acid. Then, the paper was air-dried and counted.
1164	1	PCAF AlphaLisa Binding Assay	His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition of the compounds disclosed herein was assessed by monitoring the engagement of biotinylated small molecule ligand (known to bind to the PCAF bromodomain) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate PCAF bromodomain (225 nM final) was combined with the biotinylated small molecule ligand (6 nM final) in 50 mM HEPES (pH 7.5), 75 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 15 minute incubation at room temperature AlphaLisa streptavidin acceptor beads and AlphaLisa anti-histidine donor beads were added to a final concentration of 12.5 &#956;g/mL each. After 90 minutes of equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1165	1	IRAK4 Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
1166	1	Measurement of Inhibitory Activity Against RET (In Vitro)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (the final concentration: 250 nM), magnesium chloride (the final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (the final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform a kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
1166	2	Inhibitory Activity Against Resistance Mutation of RET (In Vitro)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L) (i.e., RET with V804L mutation) kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET (V804L) protein used in the test was purchased from Eurofins.To measure the inhibitory activity, first, the test compounds were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET (V804L) protein, the substrate peptides (the final concentration: 250 nM), magnesium chloride (the final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of a test compound in DMSO (the final concentration of DMSO: 5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA was then added thereto to give a final concentration of 40 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
1166	3	Measurement of Inhibitory Activity Against RET (V804M)	RET (V804M) (i.e., RET with V804M mutation) kinase activity was measured using purified recombinant human RET (V804M) protein purchased from Eurofins with the final concentration of ATP being 13 &#956;M in the kinase reaction system, following procedure 1) for the other part.
1168	1	Calcium Flux Assay	An in vitro assay was used to determine the potency of test compounds as inhibitors of the glutamate response of the channel formed by GluA1o-&#947;8. To ensure a 1:1 stoichiometry of GluA1o and &#947;8 subunits in the expressed channel, a fusion of the cDNAs for GRIA1o and CACNG8 was used. Following Shi et al (2009) The stoichiometry of AMPA receptors and TARPs varies by neuronal cell type. Neuron 62(5): 633-640), the C-terminus of the cDNA for GRIA1o was fused to the N-terminus of the cDNA for &#947;8. The linker sequence was QQQQQQQQQQEFAT. Channels expressed with this construct appear to have similar properties to channels formed by co-expression of GRIA1o with an excess of CACNG8 (Shi et al. 2009). A clonal cell line in HEK293 cells stably expressing this construct, with a geneticin selection marker, was generated for use in this assay.Cell expressing the GRIA1o-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2, 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra.The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound. The data in Table 4 below illustrates the observed potency for the compounds described herein. pIC50 refers to the negative log of the IC50 in molar.Using a similar protocol, compounds were also tested for their ability to inhibit TARP &#947;2 dependent AMPA receptor activity. The compounds that were tested for TARP &#947;2 AMPA receptor activity had pIC50 values less than 6.
1169	1	DPP-IV Inhibitory Activity	1. DPP-IV enzyme reaction buffer was prepared (50 mM HEPES (pH=7.8), 80 mM MgCl2, 150 mM NaCl, 1% BSA), and stored on ice for use; 2. The test compounds were diluted with DMSO from 10 mM to 1 mM (100-fold final concentration), and then diluted gradiently 3 folds in a 96-well plate to obtain 11 concentrations; DMSO was added to the twelfth well as a blank control, and then diluted 25 folds with the enzyme reaction buffer to 4-fold final concentration for use; 3. The DPP-IV enzyme reaction substrate H-Gly-Pro-AMC was thawed and diluted to 160 uM (4-fold final concentration) with the enzyme reaction buffer, and then stored on ice for use; 4. The rat plasma was thawed and diluted 100 folds (2-fold final concentration) with the enzyme reaction buffer, and then stored on ice for use; 5. 5 uL of the test compounds (4-fold final concentration) were added to a 384-well plate, and then L of the rat plasma (2-fold final concentration) was added, centrifuged and mixed well; 6. 5 uL of the enzyme reaction substrate H-Gly-Pro-AMC (4-fold final concentration) was added, centrifuged and mixed well, and then the 384-well plate was sealed with a film; 7. The resulting mixture was incubated in an incubator (22-23 C.) for 1 hour; 8. The fluorescence signal was determined using FlexStationI3 (Molecular devices) microplate reader (excited at 380 nm, and the emission spectrum was determined at 460 nm wavelength); 9. IC50 values of the test compounds in inhibiting DPP-IV activity were determined, i.e., calculating the IC50 values of the compounds using GraFit6 software.
1170	1	TDO Coupled Biochemical Assays	In two separate assays, 2.5 &#956;g/&#956;l of human TDO protein was pre-incubated for 10 minutes at RT with test compounds 680C91 and LM10 in the presence of 50 mM KH2PO4, pH 7.0, 0.5 mM EDTA, 0.5 mM EGTA, 0.05% Triton X-100, 20 mM ascorbate, 500 U/ml catalase, 10 &#956;M methylene blue at RT in a 384 well plate. 0.05 &#956;g/&#956;l kynurenine formamidase (drosophila) and 330 &#956;M L-tryptophan were added and the assays were incubated at room temperature (RT) for 17 min. Assays were stopped and the level of kynurenine was determined by incubation with Ehrlich&#39;s reagent to a final concentration of 1.33% at RT for 5 min. Fluorescence intensity was read at 475 nm/530 nm. 
1170	2	IDO Coupled Biochemical Assays	In two separate assays, 0.045 &#956;g/&#956;l of human IDO protein was pre-incubated for 10 min at RT with test compounds NewLink 1 and Incyte 1 in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM EGTA, 0.05% Triton X-100, 20 mM ascorbate, 500 U/ml catalase, 10 &#956;M methylene blue at RT in a 384 well plate. 0.05 &#956;g/&#956;l kynurenine formamidase (drosophila) and 45 &#956;M L-tryptophan (L-Trp) were added and the assays were incubated at RT for 17 min. Assays were stopped and the level of kynurenine was determined by incubation with Ehrlich&#39;s reagent to a final concentration of 1.33% at RT for 5 min. Fluorescence intensity was read at 475 nm/530 nm.
1171	1	AMP Assay with Human Somatostatin 4 Receptor	The activation of the SSTR4 receptor (Gi coupled) causes an inhibition of intracellular cAMP after stimulation with Forskolin, which can be quantifiable by use of a suitable assay Kit and an adequate plate reader. This technique is used to characterize pharmacological effects of the SSTR4 receptor agonists by use of hSSTR4 expressing H4 cells. Compounds are dissolved and diluted in DMSO. The final test solution contains 1% DMSO. The cAMP standard (Lance cAMP 384 Kit; PerkinElmer, Cat# AD0264) is prepared in assay buffer (HBSS with 0.1% BSA, 5 mM HEPES, 0.5 M IBMX, pH 7.4) containing 1% DMSO and the cAMP standard curve is included at least on one plate. Cells are centrifuged and suspended in assay buffer (incl. 1:100 diluted Alexa antibody).
1171	2	Radiogland Binding Assays	For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/ B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.
1172	1	Radioligand Binding Assay	Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM HEPES, pH 7.4, 5 mM MgCl2, 0.2% BSA) to a final assay concentration of 0.6 protein per well. Saturation isotherms were determined by the addition of various concentrations of 3H-telcagepant (Ho et al, The Lancet, 2008, 372, 2115) (in a total reaction volume of 250 &#956;L) for 60 min at room temperature. At the end of the incubation, membranes were filtered onto a unifilter, a 96-well white microplate with bonded GF/B filter pre-incubated with 0.5% PEI, with a Tomtec cell harvester and washed 5 times with distilled water. Non-specific binding (NSB) was measured in the presence of 10 nM MK-3207 hydrochloride (CAS No. 957116-20-0). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For inhibition experiments, membranes were incubated with 0.5 nM 3H-telcagepant and 10 concentrations of the inhibitory compound (0.001-10 IC50 values were derived from the inhibition curve and the affinity constant (Ki) values were calculated using the Cheng-Prussoff equation (Cheng et al, Biochem. Pharmacol. 1973, 22, 3099-3108).
1174	1	procaspase-3 activation	Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an anti-His-6 antibody (His-6 disclosed as SEQ ID NO: 29). In the absence of PAC-1 no maturation of procaspase-3 is observed. In the presence of 100 &#956;M PAC-1, cleavage to generate the p19 fragment is observed within 1 h, and >50% cleavage is observed after 4 h. PAC-1 is also effective at 5 &#956;M in this assay. FIG. 2A) Activation of mutants in the safety catch region of procaspase-3 by PAC-1. PAC-1 has an EC50 for activation of 0.22 &#956;M on wild type procaspase-3 (DDD), and corresponding EC50 values of 2.77 &#956;M (DAD), 113 &#956;M (DDA), and 131 &#956;M (ADD) for the mutants. FIG. 2B) PAC-1 activates procaspase-7 with an EC50 of 4.5 &#956;M. FIG. 2C) Dependence of PAC-1 activation of procaspase-3 on pH.
1175	1	Fluorescence Lifetime-Based Assay	The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in vitro & in vivo methods well-described in the art. See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L M, Hassiepen U Biomol Screen. 2009 January; 14(1):1-9.In particular, the in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.4.24.11) can be determined as follows:Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 pM) is pre-incubated with test compounds at various concentrations for 1 hour at room temperature in 10 mM sodium phosphate buffer at pH 7.4, containing 150 mM NaCl and 0.05% (w/v) CHAPS. The enzymatic reaction is started by the addition of a synthetic peptide substrate Cys(PT14)-Arg-Arg-Leu-Trp-OH to a final concentration of 0.7 &#956;M. Substrate hydrolysis leads to an increase fluorescence lifetime (FLT) of PT14 measured by the means of a FLT reader as described by Doering et al. (2009). The effect of the compound on the enzymatic activity was determined after 1 hour (t=60 min) incubation at room temperature.
1177	1	Inhibitory Assay	The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) by the following method.The VAP-1 enzyme (SSAO) activity in both human and rat was measured by a radiochemical-enzyme assay using 14C-benzylamine as an artificial substrate. Human or rat VAP-1 was cloned from the cDNA library and expressed in a cell. The cell extract was preincubated with a test compound solution (final concentration 1×10&#8722;7-1×10&#8722;10 mol/L) at room temperature for 20 minutes. Then, 14C-benzylamine (final concentration 1×10&#8722;5 mol/L) was added, and the mixture was incubated at a final volume of 200 &#956;L at 37° C. for 2 hours. The enzyme reaction was stopped by addition of 2 mol/L (200 &#956;L) citric acid. The oxidation product was extracted with 1 mL toluene/ethyl acetate (1:1), and the radioactivity thereof was measured by a liquid scintillation counter.
1177	2	Inhibitory Assay	The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes (MAO-A and MAO-B) by the following method.Gene recombinant human MAO-A and MAO-B enzymes were purchased from Sigma Ltd. The human MAO-A and MAO-B activities were measured using MAO Detection Kit (Fluoro MAO, Cell Technology Inc.). Assay was performed in a 96-well plate. 1× Reaction buffer (40 &#956;l) was added to each well, and 50 &#956;l (5 mg/ml) of MAO-A or MAO-B was added. Then, test compound solutions (final concentration 1×10&#8722;4-1×10&#8722;10 mol/l) (10 &#956;l) were added and the mixtures were incubated at 37° C. for 20 mins. Reaction cocktail (100 &#956;l) was added, and the mixtures (final volume 200 &#956;l) were incubated at 37° C. for 2 hrs. Thereafter, the fluorescence at 590 nm was detected with an excitation wavelength of 570 nm using a multispectro microplate reader (Varioskan, Thermo Fisher Scientific K.K.). 
1178	1	FLIPR Assay	HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 &#956;g/ml geneticin and 50 &#956;g/ml hygromycin. Appropriate positive control chemokines (MCP-1, MIP1A or RANTES) was used as the positive control agonist for screening compound-induced calcium activity assayed on the FLIPR Tetra. The drug plates were prepared in 384-well microplates using the EP3 and the MultiPROBE robotic liquid handling systems. Compounds were synthesized and tested for CCR2 activity.
1180	1	 Assay for IDO1 Enzymatic Activity Determination	To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorbic acid (10 mM), methylene blue (5 &#956;M) and human recombinant IDO1 enzyme (prepared as described in Rohrig et al. J Med Chem, 2012, 55, 5270-5290; final concentration 5 &#956;g/mL) without or with the compounds of the present invention at the indicated concentrations (total volume 112.5 &#956;L). The reaction was initiated by the addition of 37.5 &#956;L of L-Trp (final concentration 100 &#956;M) at room temperature. The reaction was conducted at room temperature during 15 minutes and stopped by the addition of 30 &#956;L of 30% (w/v) trichloroacetic acid. To convert N-formylkynurenine into kynurenine, the reaction mixture was incubated at 65° C. for 30 min. Then 120 &#956;L of 2.5% (w/v) 4-(dimethylamino)-benzaldehyde in acetic acid were added and the mixture incubated for 5 min at room temperature. Kynurenine concentrations were determined by measuring the absorbance at 480 nm. A standard curve was made with pure kynurenine. The IDO1 activity was measured as described above using ten serial concentrations of the compounds of the present invention. Data were fitted using the Prism software (GraphPad Software, Inc.).
1184	1	Fluorescence Polarisation Assay	The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.00×10&#8722;8 M in a buffer solution (Hepes 10 mM, NaCl 150 mM, Tween20 0.05%, pH 7.4), in the presence or in the absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.
1188	1	Fluorescence Polarization Assay (FPA)	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of N-His-Tb-BIR3(241-356, XIAP), fluoresceinated modified SMAC peptide, and test compounds in assay buffer consisting of 20 mM sodium phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes and fluorescence polarization of the reaction was detected on the LJL Plate Reader. Inhibition data were calculated from mP values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 130 nM N-His-Tb-BIR3(241-356, XIAP), 1.4 nM fluoresceinated modified SMAC peptide, and 1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of polarization activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1188	2	AlphaScreen Assay	Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 &#956;L prepared from additions of His-BIR2 (124-240/C202A/C213G), Biotinylated SMAC peptide, and test compounds in assay buffer consisting of 25 mM Hepes, 100 mM NaCl, 0.1% BSA, and 5 mM CaCl2. The reaction was incubated at room temperature for 60 minutes. After 60 minutes, 2.5 &#956;L, of AlphaScreen detection reagent (Perkin Elmer) was added to the reaction mixture and incubated at room temperature in the dark for 120 minutes. The AlphaScreen signal generated by the reaction was detected on the Envision Plate Reader Inhibition data were calculated from an AlphaScreen signal generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 50 nM His-BIR2 (124-240/C202A/C213G), 50 nM.Biotinylated SMAC peptide, 4 &#956;g/mL AlphaScreen detection reagents, and 0.5% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1189	1	Receptor Assay	Compounds were evaluated for &#963;-1 and &#963;-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were incubated for 120 min at 25° C. in 50 mM Tris-HCl, pH 8.0 with 500 &#956;g membrane protein, and 5 nM [3H](+)-pentazocine (for &#963;1 assays) or 3 nM [3H]DTG plus 300 nM (+)-pentazocine (for &#963;2 assays); non-specific binding was determined in the presence of 10 &#956;M haloperidol. The assays were terminated with ice-cold 10 mM Tris-HCl, pH 8.0, followed by two washes through glass fiber filters that were pre-soaked for at least 30 min in 0.5% polyethyleneimine.
1191	1	Competitive Radioligand-Binding Assay 	Estrogen receptor (ER&#946;) binding affinity of the NRBAs was also determined using an in vitro competitive radioligand-binding assay with [3H]-estradiol ([3H]-E2, PerkinElmer), a high affinity ligand for both ER&#945; and ER&#946;. The equilibrium dissociation constant (Kd) of [3H]-E2 was determined by incubating increasing concentrations of [3H]-E2 (0.01 to 10 nM) with bacterially expressed ER&#945; or ER&#946; ligand binding domain (LBD) at 4° C. for 18 hours (h). Non-specific binding was determined by adding 1000 nM E2 to the incubation mixture. It was determined that the minimum concentration of [3H]-E2 required to saturate ER&#945; and ER&#946; binding sites in the incubation mixture was 1 nM, respectively. The binding affinity of the NRBAs was determined under identical conditions by incubating increasing concentrations (3×10&#8722;2 to 1,000 nM) of ligand with isolated ER LBD and 1 nM [3H]-E2. Following incubation, bound and free [3H]-E2 were separated by using vacuum filtration with the Harvester (PerkinElmer). Briefly, the incubation mixture was filtered through a high affinity protein binding filter, and washed several times to remove any unbound radioactivity. The filter plate was air dried and sealed on the bottom. Scintillation cocktail was added to each well and the top of the plate was sealed. Radioactivity was counted in a TopCount NXT Microplate Scintillation Counter.
1192	1	Binding Assay	Receptor Source: Human recombinant expressed in CHO cells    Radioligand: [3H]Spiperone (20-60 Ci/mmol)    Control Compound: Haloperidol    Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 5 mM MgCl2, 1 mM EDTA for 60 minutes at 25 C. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned dopamine&#151;D2 short binding site (Literature Reference: Jarvis, K. R. et al. Journal of Receptor Research 1993, 13(1-4), 573-590; Gundlach, A. L. et al. Life Sciences 1984, 35, 1981-1988.)
1192	2	Binding Assay	Receptor Source: Human recombinant expressed in HEK-293 cells    Radioligand: [3H]-8-OH-DPAT (221 Ci/mmol)    Control Compound: 8-OH-DPAT    Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 10 mM MgSO4, 0.5 mM EDTA and 0.1% Ascorbic acid at room temperature for 1 hour. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned serotonin&#151;5HT1A binding site (Literature Reference: Hoyer, D. et al. Eur. Journal Pharmacol. 1985, 118, 13-23; Schoeffter, P. and Hoyer, D. Naunyn-Schmiedeberg&#39;s Arch. Pharmac. 1989, 340, 135-138)
1192	3	Binding Assay	Receptor Source: Human Cortex    Radioligand: [3H]-Ketanserin (60-90 Ci/mmol)    Control Compound: Ketanserin    Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.6) at room temperature for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the serotonin-5HT2A binding site (Literature Reference: Leysen, J. E. et al. Mol. Pharmacol. 1982, 21, 301-314; Martin, G. R. and Humphrey, P. P. A. Neuropharmacol. 1994, 33(3/4), 261-273.)
1194	1	Norepinephrine Transporter Binding Assay	1. Each tube receives the following components: 25 ul drug or vehicle 25 ul [3H]-Nisoxetine 200 ul tissue suspension. 2. Initiate binding reaction with the addition of tissue, and incubate at room temperature for 1 hour. 3. Terminate binding reaction by rapid filtration of tube contents onto 0.1% PEI treated GF/C filters (TopCount). 4. Rinse the assay tubes once with ice cold 50 mM NaCl, then rapidly rinse the filters with 6×1 ml/tube of the same wash buffer. 5. Radioactivity trapped onto the filters is assessed using liquid scintillation spectrophotometer after soaking the filters for at least 1 hour in scintillation cocktail. Materials and Reagents 1. The receptor source is human recombinant/CHO. 2. [3H]-Nisoxetine, diluted to a concentration of 10 nM in assay buffer, is used as the radioligand. Thus, the final ligand concentration is 1 nM. 3. Non specific binding is defined as that remaining in the presence of 1×10&#8722;6M desipramine (MW=302.8) (Make fresh: in bag with dessicating rocks 1, dissolves in water 1E-3). 4. The reference compound for the assay is desipramine. Desimpramine is run at following final concentrations: 1×10&#8722;10, 2×10&#8722;10, 5×10&#8722;10, 1×10&#8722;9, 2×10&#8722;9, 5×10&#8722;9, 1×10&#8722;8, 2×10&#8722;8, 5×10&#8722;8, 1×10&#8722;7, 2×10&#8722;7, 5×10&#8722;7M 5. The positive control is any of the above run at the final concentrations of: 1×10&#8722;9, 5×10&#8722;9, 2×10&#8722;8 M. 6. The Kd for the receptor is 3 nM. Buffers MW (g/mole) g/1 L Incubation Buffer: 50 mM Tris, pH 7.4 121 6.06 5 mM KCl 74.6 0.38 120 mM NaCl 58.4 7.02 Wash Buffer: 50 mM NaCl 58.4 3.0
1195	1	SERT Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 &#956;l/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 &#956;l/well of 1 mM fluoxetine dissolved in DMSO. 20 &#956;l/well of a 2× membrane preparation (15 ug/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 20 &#956;l/well of a 2× radioligand solution (520 pM [125I]RTI-55 in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to each well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 &#956;l/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4° C. The filtration and washing were completed in less than 90 seconds. The plates were air-dried overnight, 12 &#956;l/well of MicroScint scintillation fluid added, and the plates counted in a Trilux.
1195	2	DAT Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0.4 &#956;l/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 0.4 &#956;l/well of 1 mM GBR-12935 dissolved in DMSO. 20 ul/well of a 2× membrane preparation (12.5 &#956;g/ml in 30 mM sodium phosphate buffer, pH 7.9 at 4° C.) and 20 &#956;l/well of a 2× radioligand solution (250 pM [125I]RTI-55 in 30 mM sodium phosphate buffer, pH 7.9 at 4° C.) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum-filtered and washed with 7 washes of 100 &#956;l/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4° C. The filtration and washing were completed in less than 90 seconds. The plates were air-dried overnight, 12 &#956;l/well of MicroScint scintillation fluid added, and the plates counted in a Trilux.
1195	3	NET Radioligand Binding Assay	Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1.0 &#956;l/well of each solution was dispensed to a Nunc polypropylene, round bottom, 384-well plate. 100% inhibition is defined with 1.0 &#956;l/well of 10 mM desipramine dissolved in DMSO. 50 &#956;l/well of a 2× membrane preparation (0.4 mg/ml in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) and 50 &#956;l/well of a 2× radioligand solution (4 nM [3H]nisoxetine in 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl) were added to the well and the reaction incubated for 1 hour at room temperature. The contents of the assay plate were then transferred to a Millipore MultiscreenHTS GF/B filter plate which was pretreated with 0.5% PEI for at least one hour. The plate was vacuum filtered and washed with 7 washes of 100 &#956;l/well 50 mM Tris-Cl, pH 7.5, 120 mM NaCl, 5 mM KCl chilled to 4° C. The filtration and washing were completed in less than 90 seconds. The plates were air-dried overnight, 12 &#956;l/well of MicroScint scintillation fluid added, and the plates counted in a Trilux.
13145	1	Enzyme Assay	Human DPP1 enzyme activity was determined by measuring release of the fluorophore aminomethyl coumarin (AMC) following enzymatic cleavage of the dipeptide substrate H-Gly-Arg-AMC. Assays were performed in black 384 well plates in 25 mM piperazine buffer, pH 5.0, containing 50 mM NaCl, 0.01% (v/v) Triton X100, 5 mM DTT with 0.35 nM human DPP1 enzyme, 300 μM H-Gly-Arg-AMC substrate (˜Km concentration) and test compounds at 0.51-10000 nM concentration range. Human DPP1 was pre-incubated with test compounds for 30 minutes at 25° C. prior to substrate incubation for a further 40 minutes at 25° C. Enzyme activity was determined by measuring fluorescence of the AMC product at excitation and emission wavelengths of 380 nm and 460 nm using a BMG LABTECH PHERA star plate reader.
13146	1	Biochemical QPCT and QPCTL Activity Assay	QPCT or QPCTL dependent conversion of N-terminal glutamine to pyroglutamate of CD47 was monitored via MALDI-TOF MS. Test compounds were dissolved in 100% DMSO and serially diluted into clear 1,536-well microtiter plates. Enzymatic reactions were set up in assay buffer containing 20 mM Tris pH 7.5, 0.1 mM TCEP, 0.01% BSA, and 0.001% Tween20. 2.5 μL of 2× concentrated QPCTL (in-house) or QPCT (Origine #TP700028) enzyme in assay buffer (0.5 nM final concentration, columns 1-23) or plain assay buffer (columns 24) were added to each well. The plates were incubated for 10 min in a humidified incubator at 24° C. Subsequently, 2.5 μL of CD47 peptide substrate surrogate (19QLLFNKTKSVEFTFC33) was added to each well (final concentration: 10 μM for QPCTL/20 μM for QPCT). The plates were mixed for 30 sec at 1,000 rpm and subsequently incubated for 40 min in a humidified incubator at 24° C. After incubation, the enzymatic reaction was stopped by adding 1 μL containing stable isotope labeled internal standard peptide 19[Pyr]LLFN(K)TKSVEFTFC33 (final concentration 4.0 μM) as well as SEN177 (final concentration 10 μM). The plates were sealed with an adhesive foil, mixed for 30 s at 1,000 rpm and stored at room temperature until preparation of the MALDI target plates. MALDI target plates were prepared as described previously.1 Mass spectra were acquired with a rapifleX MALDI-TOF/TOF instrument tracking the signals of the product (19[Pyr]LLFNKTKSVEFTFC33, m/z 1,787.9037) as well as internal standard (19[Pyr]LLFN(K)TKSVEFTFC33, m/z 1,795.9179) peptide. QPCT or QPCTL activity was monitored by calculating the ratio between product and internal standard signals followed by normalization to high (100% activity) and low (0% activity) controls. 
13147	1	Caliper Endpoint Assay for HDAC Enzymatic Activity Assay	HDAC reactions were assembled in 384 well plates (Greiner) in a total volume of 20 μL as follows: HDAC proteins (and their regulatory subunit, if applicable) were pre-diluted in the assay buffer comprising: 100 mM HEPES, pH 7.5, 0.1% BSA, 0.01% Triton X-100, 25 mM KCl and dispensed into a 384 well plate (10 μL per well). An example of enzyme concentrations used in each assay is listed in the table below.Substrate Regulatory [Enzyme] Substrate Conc IncubationAssay Expression Construct subunit nM Peptide (μM) Time (hr)HDAC6 Full length Human HDAC6 None 6 FAM- 1 5with C-terminal FLAG-tag, RHKK(Ac)-expressed in baculovirus NH2expression system.HDAC8 Full length Human HDAC8 None 5 FAM- 1 3with N-terminal HIS-tag, RHKK(TFAexpressed in baculovirus c)-NH2expression system.Test compounds were serially pre-diluted in 100% DMSO using 3-fold dilution steps and added to the protein samples by acoustic dispensing (Labcyte Echo). Concentration of DMSO was equalized to 1% in all samples. Final compound concentration in assays typically ranged from 100 μM to 0.00056 μM for a 12-point concentration-response format.Control samples (0%-inhibition in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) were assembled in replicates of four (for each caliper sipper) and used to calculate the %-inhibition in the presence of compounds. At this step compounds were pre-incubated with enzyme for 30 minutes at room temperature (20-23° C.). The reactions were initiated by addition of 10 μL of the FAM-labeled substrate peptide (see table above) pre-diluted in the same assay buffer. Final concentration of substrate peptide was 1 μM. The reactions were allowed to proceed at room temperature (20-23° C.). Typical incubation times for each HDAC, based on pre-determined enzyme progress curves, vary and are listed in table above. Following incubation, the reactions were quenched by addition of 50 μL of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 0.05% SDS). Terminated plates were analyzed on a microfluidic electrophoresis instrument (Caliper LabChip® 3000, Caliper Life Sciences/Perkin Elmer) which enables electrophoretic separation of deacetylated product from acetylated substrate. A change in the relative intensity of the peptide substrate and product is the parameter measured.
13148	1	Assay on Inhibition of KIF18A Enzymatic Activity	The reaction system consisted of a test compound, the recombinant protein KIF18A (aa 1-467), ATP (Promega Inc), and an assay buffer. The test compound was prepared into a 0.5 mM stock solution using DMSO (Sigma Inc) and then serially diluted in DMSO. The assay buffer consisted of an aqueous solution of 15 mM Tris, 10 mM MgCl2 (Sigma Inc), 0.01% Pluronic F-68 (Life Technologies Inc), 1 μM paclitaxel (Cytoskeleton Inc), 30 μg/mL porcine tubulin (Cytoskeleton Inc), and 2% DMSO. The KIF18A protein (final concentration: 80 nM) and the compound at different concentrations (1 μL) were added to the prepared assay buffer (50 μL), and the mixture was incubated at room temperature for 15 min. Then, ATP (final concentration: 80 μM) was added to the reaction mixture, and the resulting mixture was incubated at room temperature for 3 h. After the reaction was completed, 5 μL of the ADP-Glo™ reagent and 2.5 μL of the reaction mixture were added to a 384-well plate (Grenier Inc). The resulting mixture was mixed homogeneously, then sealed by an aluminum foil sealing film, and incubated at room temperature in the dark for 40 min. Finally, 10 μL of the ADP-GloTM assay reagent was added to each reaction well, and the mixture was incubated at room temperature in the dark for 40 min. After all reactions were completed, the luminescence values of the wells were read on a microplate reader (Molecular Device_SpectraMax Id5), and the inhibition ratios were calculated.
13149	1	Enzyme Activity Assay	Cleavage reactions of the human complement factor B protein: The recombinant human complement factor D protein was diluted 10-fold with PBS (pH 7.4) and stored on ice for later use. The recombinant human complement factor D protein, the recombinant human complement factor B protein, and CVF were added to a reaction buffer (PBS pH 7.4, 10 mM MgCl2, 0.05% CHAPS) to final concentrations of 300 nM, 1 μM, and 1 μM, respectively. After they were well mixed, the mixture was reacted in a constant-temperature incubator at 37° C. for 3 h to give a complex of CVF and the post-cleavage fragment Bb of the recombinant human complement factor B protein (hereinafter referred to as CVF:Bb). A 100 mM Na2CO3 solution and a 100 mM NaHCO3 solution were prepared and mixed in a ratio of Na2CO3 to NaHCO3 of 3:7 (v/v) to adjust the pH to 9.5. The mixture was stored at room temperature for later use. 20 mM test compounds dissolved in 100% DMSO were serially diluted with 100% DMSO to 2000, 500, 125, 31.25, 7.8125, 0.488281, 0.12207, 0.030518, and 0.007629 M, with the blank well containing 100% DMSO. The compounds and 100% DMSO were then 20-fold diluted in C3 reaction buffer (PBS pH 7.4, 1 mM MgCl2, 0.05% CHAPS).
13150	1	Detection of Activity of 15-PGDH Kinase	a. A solution of pH 7.5 containing 50 mM Tris-HCl, 0.01% Tween 20 was prepared with ultrapure water as a reaction buffer;b. A 10 mM mother liquor of the compound to be tested was prepared with DMSO, and then the reaction buffer was used to dilute the mother liquor of the compound to be tested to obtain solution 1 of the compound to be tested at a concentration of 40,000 nM, and then the solution 1 of the compound to be tested was serially diluted into solutions 2-9 (or 2-12) of the compound to be tested at 9 (or 11) concentrations with a gradient difference of three-fold. 5 μL of each concentration of solutions of the compound to be tested was respectively taken and added into a 384-well plate as test wells;c. 5 μL of the reaction buffer was added to the blank wells of the 384-well plate as positive control and blank control wells, respectively;d. The reaction buffer was used to prepare a 15-PGDH protein solution at a concentration of 5 ng/μL, 5 μL of the 15-PGDH protein solution was taken and added to the test wells and positive control wells, and meanwhile 5 μL of the reaction buffer was added to the blank control wells, then the plate was centrifuged at 2000 rpm for 30 seconds;e. The reaction buffer was used to prepare 5 mM β-NAD and 2 mM PGF2α, respectively, which were mixed at 1:1 by volume to obtain a substrate mixture, 10 μL of the substrate mixture was taken and added to the test wells, positive control wells and blank control wells to start the reaction;f. The fluorescence signal value (Ex/Em=340/450) of each well was detected continuously by using a multifunctional microplate reader.
13151	1	KRAS-BRAF with CYPA (500 nM) Interaction Assay	In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was also used to measure disruption of KRAS G12D or KRAS G12V binding to BRAF by a compound of the invention, respectively. In assay buffer containing 25 mM HEPES PH=7.4 (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, Thermo, 15630080), 0.002% Tween20, 0.1% BSA, 100 mM NaCl, 5 mM MgCl2, 10 μM GMPPNP (Guanosine 5′-[β,γ-imido]triphosphate trisodium salt hydrate, Sigma, G0635), tagless CYPA, GMPPNP loaded 6His-KRAS proteins, and GST-BRAFRBD were mixed in a well of a 384-well assay plate at final concentrations of 50 nM, 6.25 nM and 1 nM, respectively. Compound was present in plate wells as a 16-point 3-fold dilution series starting at a final concentration of 10 μM and incubated for 3 hours. A mixture of MAb Anti-6His-XL665 (Cisbio, 61HISXLB) and Mab anti-GST-TB cryptate (Cisbio, 61GSTTLB) was then added at a final concentration of 6.67 nM and 0.21 nM, respectively, and the plate was incubated for an additional 1.5 hours. TR-FRET signal was read on a PHERstar FSX microplate reader (Ex320 nm, Em 665/615 nm). Compounds that facilitate disruption of the KRAS-BRAF complex were identified as those eliciting a decrease in the TR-FRET ratio relative to DMSO control wells.
13152	1	TBD	TBD
13153	1	HSD17B13 rapid-fire mass spectrometry assay (RF/MS assay)	Recombinant human HSD17B13 was expressed and purified from sf9 cells at Charles River Labs (Saffron Walden, UK). Leukotriene B4 (Catalog #71160-24-2) and 12-oxoleukotriene B4 (Catalog #20140) were purchased from Cayman Chemicals (Ann Arbor, Michigan.). NAD+ (Catalog #N8285), BSA (Catalog #A7030), DMSO (Catalog #D2650), and Tween-20 (Catalog #11332465001) were purchased from Sigma (St. Louis, MO). Formic acid (Catalog #28905) was from ThermoFisher Scientific and 384 deep well PP microplates (Catalog #784261) were from Greiner Bio-One. In a typical IC50 assay performed in a 384w PP microplate, test compounds (0-100 μM) were incubated with HSD17B13 (80 nM), LTB4 (10 μM), and NAD+ (0.5 mM) in 10 μL assay buffer (20 mM Tris (pH 7.5), BSA (0.005%), and Tween-20 (0.01%)) at RT for 3 h. The assays were quenched by adding 20 μL of 0.15% aqueous formic acid and the plates were frozen at −80° C. RF/MS analysis was performed at PureHoney Technologies (Billerica, MA) on a RapidFire RF300 system (Agilent Technologies, Inc.) coupled to an API 4000 triple quadrupole mass spectrometer (Sciex) equipped with Agilent RapidFire cartridge type A (C4). The mobile phase was 0.09% formic acid and 0.01% trifluoracetic acid in water (Buffer A) and 0.09% formic acid and 0.01% trifluoracetic acid in 80% aqueous acetonitrile (Buffer B). The RapidFire method conditions were the following: 250 ms aspirate, 3000 ms load/desalt, 4000 ms elute, and 500 ms re-equilibrate. RF-MS/MS was performed in negative polarity (−4500 V), the source temperature was 650° C., and gas 1 and gas 2 settings for nitrogen were set to 50. The curtain gas and collision gas were also nitrogen and were set to 20 and 12, respectively. Leukotriene B4 (335.3) and 12-oxoLeukotriene B4 (333.3) SRM transitions were optimized with Discovery Quant software and extracted ion counts for these analytes were determined. Data Analysis. HSD17B13 enzyme activity was measured as percent conversion of extracted ion counts and normalized to high and low controls to determine percent residual activity at various concentrations of test compounds. Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50. All experiments were run in duplicates.
1209	1	Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay	Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy transfer (TR-FRET) assays monitoring the direct binding of Bodipy labeled fatty acid to His6 tagged FABP proteins (huFABP4 was expressed in house in E. Coli and purified, huFABP5 was purchased from Cayman Chemical Co., cat.no. 10010364), bound to Terbium labeled anti His6 tag antibody. Assay read-outs reflected energy transfer, upon binding of the ligand to the FABP protein, from the Terbium donor molecule to the acceptor Bodipy moiety. Final ligand concentration (125 nM) approximated the Kd for each protein.Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 &#956;M to 0.003 &#956;M final compound concentration). 1 &#956;l of these compound dilutions and 1 &#956;l of Bodipy labeled fatty acid 4.5 &#956;M in 100% DMSO (Bodipy FL C11, cat. no. D3862, Invitrogen) were sequentially pipetted in wells of 384-well black polypropylene plates (Thermo Matrix cat. no. 4344). FABP4 or FABP5 protein was then added (28 &#956;l of 64 nM protein in 25 mM Tris pH 7.5, 0.4 mg/ml &#947;-globulin, 1 mM DTT, 0.012% NP40, final protein concentration: 50 nM). Assay blanks contained ligand, but no protein. Neutral controls contained ligand, but no compound. After adding the detection reagent (Tb antiHis6 antibody, Columbia Biosciences, TB-110, 6 &#956;l of a 24 nM Ab solution in 25 mM Tris pH 7.5, 0.4 mg/ml &#947;-globulin, final Tb antiHis6 Ab concentration: 4 nM), plates were spun one minute at 1000 rpm. Following an incubation at room temperature with shaking for 30 minutes, plates were read using an Envision reader (Perkin Elmer, Extinction wavelength: 340 nm, Emission: 490 nm and 520 nm, time delay: 100 &#956;s; time window: 200 &#956;s, 50 flashes).Final assay conditions were: 50 nM FABP protein, 125 nM Bodipy labeled fatty acid, 0.009% (vol/vol) NP40, 5.5% (vol/vol) DMSO in a total final assay volume of 36 &#956;l. The assay was performed in triplicate.
1211	1	Radioligand Binding Assay	Human or rat P2X7-1321N1 cells were collected and frozen @ &#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (K) of the test compounds. The data are presented in Tables 2 and 3 under the headings: P2X7 human Ki (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5. For analysis, each concentration point is averaged from triplicate values and the averaged values are plotted on Graphpad Prism.
1211	2	Ca2+ flux Assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130 NaCl, 2 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of BzATP concentration using Origin 7 software and the resultant IC50 is shown in Tables 2 and 3 under the column headings FLIPR (human) IC50 (&#956;M) and FLIPR (rat) IC50 (&#956;M).
1215	1	JAK Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. 
1217	1	Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Akt1 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Akt1 in the assay was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 0.05 ng/&#956;l (final conc. in the 5 &#956;l assay volume). The reaction was stopped by the addition of 5 &#956;l of a solution of HTRF detection reagents (200 nM streptavidine-XL665 [Cisbio] and 1.5 nM anti-phosho-Serine antibody [Millipore, cat. #35-001] and 0.75 nM LANCE Eu-W 1024 labeled anti-mouse IgG antibody [Perkin Elmer]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES/NaOH pH 7.5). The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the antibodies. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the anti-mouse-IgG-Eu-Chelate to the streptavidine-XL665. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a HTRF reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer).
1217	2	Kinase Assay	His-tagged human recombinant kinase full-length Akt2 expressed in insect cells and activated by PDK1 was purchased form Invitrogen (part number PV 3975). As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KKLNRTLSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosynthan GmbH (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Akt2 in assay buffer [50 mM TRIS/HCl pH 7.5, 5 mM MgCl2, 1 mM dithiothreitol, 0.02% (v/v) Triton X-100 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Akt2 in the assay was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 0.2 ng/&#956;l (final conc. in the 5 &#956;l assay volume). The reaction was stopped by the addition of 5 &#956;l of a solution of HTRF detection reagents (200 nM streptavidine-XL665 [Cisbio] and 1.5 nM anti-phosho-Serine antibody [Millipore, cat. #35-001] and 0.75 nM LANCE Eu-W 1024 labeled anti-mouse IgG antibody [Perkin Elmer]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES/NaOH pH 7.5). The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the antibodies. 
1218	1	Electrophysiology Assay	Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37° C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066) for approximately 6 min at 37° C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, 5 HEPES, pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, 5 Hepes, pH 7.4. Electrical access to the cytoplasm was achieved by perforation in 0.13 mg/mL amphotericin B for 4 min. Amphotericin B (Sigma A-4888) was prepared as a 40 mg/mL solution in DMSO. Voltage protocols and current recordings were performed using the IonWorks HT software/hardware system. Currents were sampled at 1 kHz. No correction for liquid junction potentials was used. The test pulse, consisting of a 100 ms step to 0 mV from a holding potential of &#8722;70 mV, followed by a 100 ms voltage ramp from &#8722;70 mV to +70 mV, was applied before and after a 6 min compound incubation period. Test compounds were prepared by diluting DMSO stock solutions into the bath solution at 3× the final concentration and placed in the instrument in 96-well polypropylene plates.
1220	1	NIK Enzyme Inhibition Assay	The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) was monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified NIK (0.5 nM) derived from a baculovirus-infected insect cell expression system was incubated with test compounds for 1-3.5 hours in 50 mM 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid buffer (pH 7.2) containing 10 mM MgCl2, 2 mM dithiothreitol, 10 &#956;M ATP, 0.01% Triton X-100, 0.1% gamma-globulins from bovine blood, 1% dimethylsulfoxide (DMSO), 7 &#956;g/mLADP antibody and 5 nM ADP-MR121 633 tracer. Reactions were quenched by the addition of 20 mM 2,2&#8242;,2&#8243;,2&#8242;&#8243;-(ethane-1,2-diyldinitrilo)tetraacetic acid and 0.01% Brij 35. The tracer bound to the antibody was displaced by the ADP generated during the NIK reaction, which causes a decrease in fluorescence polarization that was measured by laser excitation at 633 nm with a Fluorescence Correlation Spectroscopy Plus reader (Evotec AG). Equilibrium dissociation constant (Ki) values for NIK inhibitors are calculated from plots of activity vs. inhibitor concentration using Morrison&#39;s quadratic equation that accounts for the potential of tight binding, and by also applying the conversion factor that accounted for competitive inhibition and the concentration of substrate used in the assay relative to its Michaelis constant (Km).
1222	1	Pharmacological Assay	The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove&#39;s, plus 10% (v/v) fetal bovine serum, penicillin/streptomycin) to about 80% confluency and the compounds were added at a 3× concentration in &#8531; volume of culture medium (final DMSO concentration was kept at 1% v/v). After 18-20 hrs incubation at 37° C. and 5% CO2 in a humidified incubator, the culture supernatants were harvested for the determination of A&#946;40 concentrations using Perkin-Elmer Human Amyloid beta 1-40 (high specificity) Kit (Cat# AL275C).In a Perkin-Elmer White Optiplate-384 (Cat#6007290), 2 ul culture supernatants were combined with 2&#956;l of a 10× AlphaLISA Anti-hA&#946;Acceptor beads+Biotinylated Antibody Anti-A&#946;1-40 Mix (50 &#956;g/mL/5 nM). After 1 hour room temperature incubation, 16 &#956;l of a 1.25× preparation of Streptavidin (SA) Donor beads (25 &#956;g/mL) were added and incubated for 30 minutes in the Dark. Light Emission at 615 nm was then recorded using EnVision-Alpha Reader.
1223	1	Binding Assay	The BACE1 and BACE2 binding assays measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound in a scintillation proximity assay (SPA). Utilizing a radiolabeled small molecule BACE active site binding inhibitor and crude HEK cell membrane preparations over-expressing full length BACE1 or BACE2, the binding of enzyme by test compound was monitored as a reduction of specific counts bound at pH 6.0. Full length human BACE1 or BACE2 over-expressed in HEK cells was prepared by Pfizer scientists. Frozen stock cell paste was reacted in 50 mM sodium acetate buffer (pH=6.0) containing 3H-(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine ligand, SPA bead and 60 &#956;M to 600 pM of test compound in an assay volume of 27 uL. The compound plate also contained positive (BACE inhibitor) and negative (DMSO) control wells. The binding was carried out at room temperature for 30 minutes and then the plates were read on a TriLux Microbeta reader to determine the number of counts bound. The raw data was converted to percent effect compared to positive and negative control wells and the compound concentrations and % effect values for tested compounds were plotted to determine the 50% effect (IC50) with a four-parameter logistic dose response equation.
1223	2	Inhibition Assay	CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).
1223	3	hERG Patch Clamp Assay	All testing was carried out in CHO cells transfected with the hERG gene purchased from Millipore (PrecisION hERG-CHO Recombinant Cell Line CYL3038). The cell line was grown in DMEM/F-12, GlutaMAX with 10% fetal bovine serum, 1% Penicillin-Streptomycin, 1% Geneticin and 1% of 1M HEPES buffer solution, and maintained at approximately 37° C. in a humidified atmosphere containing 5% carbon dioxide. The cells were passaged every 3-5 days based on confluency. On the day of the experiment, 50%-80% confluent cells were harvested from a 175 cm2 culture flask using Detachin . After 10 minutes of exposure to Detachin at 37° C., the cells were centrifuged for 1 minute at 1000 RPM. The supernatant was removed and the cell pellet was reconstituted in 5-8 mL of serum free media with 2.5% of 1M HEPES, placed on the Qstirrer , and allowed to recover. After a 30 minute recovery period, experiments were initiated.
1223	4	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer&#39;s Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-term inal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISYAEVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a log dose response curve from a top concentration of 100 &#956;M with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &#956;L assay buffer [100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20]. Plates are covered and incubated for 3 hours at 37° C. The reaction is stopped with the addition of 30 &#956;L of 1.5 &#956;M Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm).
1227	1	Inhibition Assay	To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1:3) from 200 &#956;M to 0.091 &#956;M are prepared (resulting final concentrations in the test: 4 &#956;M to 0.0018 &#956;M). In each case 2 &#956;l of the diluted substance solutions are placed into the wells of microtitre plates (Isoplate-96/200W; Perkin Elmer). Subsequently, 50 &#956;l of a dilution of the above-described PDE 5 preparation are added. The dilution of the PDE 5 preparation is chosen such that during the later incubation less than 70% of the substrate are converted (typical dilution: 1:100; dilution buffer: 50 mM tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA, 0.2% BSA). The substrate, [8-3H] cyclic guanosine-3&#8242;,5&#8242;-monophosphate (1 &#956;Ci/&#956;l; Perkin Elmer) is diluted 1:2000 with assay buffer (50 mM tris/hydrochloric acid pH 7.5, 8.3 mM magnesium chloride, 1.7 mM EDTA) to a concentration of 0.0005 &#956;Ci/&#956;l. By addition of 50 &#956;l (0.025 &#956;Ci) of the diluted substrate, the enzyme reaction is finally started. The test mixtures are incubated at room temperature for 60 min and the reaction is stopped by adding 25 &#956;l of a suspension of 18 mg/ml yttrium scintillation proximity beads in water (phosphodiesterase beads for SPA assays, RPNQ 0150, Perkin Elmer). The microtitre plates are sealed with a film and left to stand at room temperature for 60 min. Subsequently, the plates are analysed for 30 s per well in a Microbeta scintillation counter (Perkin Elmer). 
1228	1	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of His-BIR3 (241-356, XIAP), fluorescein labeled SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, 50 &#956;g/ml BSA, and 0.05% Pluronic F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &#956;l of mouse anti-6xHis-terbium labeled Fab (Medarex, Cis-bio) was added to the reaction (40 IA for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 1 nM N-His-BIR3(241-356, XIAP), 5 nM fluorescein labeled SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the HTRF signal (IC50). Compounds were dissolved at 3 mM in dimethylsulfoxide (DMSO) and evaluated at eleven serially diluted concentrations. IC50 and Ki values were derived by non-linear regression analysis.
1228	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of His-BIR2-3 (125-356, C202A/C213G, XIAP), fluorescein labeled dimeric SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, 50 &#956;g/ml BSA, and 0.05% Pluronic F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &#956;l of mouse anti-6xHis-Tb IgG (Medarex, Cis-bio) was added to the reaction (40 &#956;l) for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader. Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 0.5 nM N-His-BIR2-3(125-356, C202A/C213G, XIAP), 20 nM fluorescein labeled dimeric SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the HTRF signal (IC50). Compounds were dissolved at 3 mM in dimethylsulfoxide (DMSO) and evaluated at eleven serially diluted concentrations. IC50 and Ki values were derived by non-linear regression analysis.
1229	1	FLIPR Assay	The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2(SEQ ID NO: 3)-induced intracellular calcium mobilization using FDSS6000 (Hamamatsu Photonics, Japan) by fluo-4. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, HEK293 EBNA PAR4 clone 20664.1J cells were plated 24 hrs. prior to experiment in 384 well, Poly-D-Lysine coated, black, clear bottom plates (Greiner Bio-One, Monroe, N.C.). Cells were plated at 20,000 cells/well in 20 &#956;l growth medium and incubated at 37° C. with 5% CO2 overnight. At time of assay, media was replaced with 40 &#956;l 1× Hank&#39;s Buffered Saline Solution (HBSS) (with 10 mM HEPES) and 20 &#956;l test compound also diluted in 1×HBSS buffer was added at various concentrations and 0.67% DMSO final concentration on the FDSS for agonist measurement. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;l of agonist peptide for antagonist measurement on the FDSS. The agonist peptide H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 (SEQ ID NO: 3) for PAR4 antagonist screen or SFFLRR for PAR1 counter screen were routinely tested to ensure a response at ECso in the assay (2.3 &#956;M for H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2(SEQ ID NO: 3) and 600 nM for SFFLRR).
1230	1	PHOSPHO-AKT IN-CELL WESTERN ASSAY	The resulting chemiluminescence was read with a Luminomitor within 10 minutes to minimize changes in signal intensity. After reading the chemiluminescence, the cells were washed 1× with wash buffer and 1× with PBS by plate washer. The plate was tapped onto paper towels to remove excess liquid from wells and air-dried at ambient temperature for 5 minutes.
1232	1	In Vitro TrkA Activity	In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 &#956;M sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 200 pM TrkA, 1.5 &#956;M peptide substrate and 55 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
1232	2	In Vitro TrkB Activity	In a 384 well polypropylene plate, TrkB (0.6 nM, Carna 08-187) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 300 pM TrkB, 1.5 &#956;M peptide substrate and 70 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
1232	3	In Vitro  c-FMS Activity	In a 384 well polypropylene plate, c-FMS (0.14 nM, Carna 08-155) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 70 pM c-FMS, 1.5 &#956;M peptide substrate and 500 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 120 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
1232	4	In Vitro TrkC Activity	Human TrkC, catalytic domain [456-825(end) amino acids of accession number NP_002521.2] was expressed as N-terminal GST-fusion protein (69 kDa) using baculovirus expression system. GST-TRKC was purified by using glutathione sepharose chromatography and stored in 50 mM Tris-HCl, 150 mM NaCl, 0.05% Brij35, 1 mM DTT, 10% glycerol, pH7.5 at &#8722;80 C. The kinase activity was measured by off-chip mobility shift assay. The enzyme was incubated with fluorecence-labeled substrate, Srctide, in the presence of 100 uM of ATP (Mg/or Mn)/ATP). The phosphorylated and unphosphorylated substrates were separated and detected by LabChip 3000.
1233	1	S1P1 Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (Ethylenediaminetetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination. Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA (bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 &#956;l/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
1233	2	Receptor [35S] GTPgammaS Binding Assays: (S1P1 GTPgammaS/S1P3 GTPgammaS)	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 l/well, final protein 3 &#956;g/well) with MULTIDROP . [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 &#956;M GDP, 0.1% fatty acid free BSA, and 10 &#956;g/ml Saponin to 0.4 nM. 40 &#956;l of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 &#956;l) was added to each well for counting on the Packard TOPCOUNT . EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested. The EC50 for Example 689 was determined to be 5.7 nM in the assay utilizing membranes prepared from S1P1/CHO cells. The EC50 for Example 689 was determined to be >2000 nM in the assay utilizing membranes prepared from EDG3-Gal5-bla HEK293T cells.A smaller value for GTP&#947;S S1P1 EC50 value indicated greater activity for the compound in the GTP&#947;S S1P1 binding assay. A larger value for the GTP&#947;S S1P3 EC50 value indicated less activity in the GTP&#947;S S1P3 binding assay. Example 689, which is the phosphate ester of Example 672, possessed activity as an agonist of S1P1 and is selective over S1P3. Example 697, which is the phosphate ester of Example 681, possessed activity as an agonist of S1P1 and is selective over S1P3. Thus the compounds of the present invention may be used in treating, preventing, or curing various S1P1 receptor-related conditions while reducing or minimizing the side effects due to S1P3 activity. The selectivity of the compounds of the present invention indicate their potential use in treating, preventing, or curing autoimmune and inflammatory diseases such as multiple sclerosis, rheumatoid arthritis, inflammatory bowel disease, lupus, psoriasis, or vascular diseases, while reducing or minimizing possible side effects due to S1P3 activity. Other potential uses of the compounds of the present invention include minimizing or reducing rejection of transplanted organs, while reducing or minimizing side effects due to S1P3 activity.
1233	3	hS1P1 ERK Phosphorylation (S1P1 pERK)	hS1P1/CHO cells were plated into BD Amine 384-well plates the day before the assay. On the day of the assay, growth medium was removed and replaced with serum-free medium (Ham&#39;s F-12 Invitrogen) and incubated for 2 hours. Test compounds pre-diluted in HBSS (Gibco)/20 mM HEPES (Gibco) were transferred to the cell plates and incubated for 7 minutes at 37° C. Cells were lysed in lysis buffer (Perkin Elmer) and phospho-ERK was measured using the SureFire pERK kit (Perkin Elmer) as described by the manufacturer. Data was plotted as percentage activation of the test compound relative to the efficacy of 10 &#956;M S1P. The EC50 is defined as the concentration of test compound which produces 50% of the maximal response and was quantified using the 4 parameter logistic equation to fit the data.
1234	2	Binding of Compound 102 to Dopamine D2 Receptors (Membrane Preparation)	The ability of Compound 102 to bind the dopamine D2 receptor in a membrane preparation was examined. Medium was removed from dopamine D2 receptor cells and washed with PBS. A lysis buffer (250 mM sucrose, 1 nM EDTA, 10 mM Tris HCl buffered at pH 7.2 plus protease inhibitors) was added and cells scrapped using a plate scrapper. Cells were homogenized with 20 manual up and down strokes in a glass homogenizer. Intact cells, nuclei, and cell debris were removed by centrifugation of the homogenate at 500× g for 10 minutes at 4° C., the supernatant was removed, and the pellet resuspended in assay buffer. Membrane preparations were incubated with 3H spiperone until equilibration. Separation of bound from free radioligand was carried out using a Packard Filtermate Harvester and glass filter plates. Radioactivity was measured using a Packard Topcount. To 20 &#956;L of D2 membranes were mixed 20 &#956;L of 3H spiperone and 10 &#956;L test compound or reference ligand in binding buffer in a nonbinding 96 well plate, and incubated for <120 minutes. Prior to filtration, a 96 well harvest filter plate was coated with 0.33% polyethyleneimine for 30 minutes and then washed with assay buffer. The binding reaction was transferred to the filter plate and washed three times with wash buffer, dried, scintillant added, and radioactivity counted on a Topcount NXT.
1235	1	PP2C Activity Assay	HAB1 and PYL proteins were expressed and purified as described in Park et al. ((2009) Science 324(5930):1068-1071), with minor modifications. To obtain GST-HAB1, the HAB1 cDNA was cloned into pGex-2T. Expression was conducted in BL21[DE3]pLysS host cells. Transformed cells were pre-cultured overnight, transferred to LB medium and cultured at 30° C. to culture A600 of 0.5.The culture was then cooled on ice and MnCl2 added to 4 mM and IPTG added to 0.3 mM. After 16 hours incubation at 15° C., cells were harvested and recombinant proteins were purified on glutathione agarose as described in Park et al. To obtain 6×His-PYL receptor fusion proteins, expression constructs previously described by Okamoto et al. 2013, (PNAS 110(29): 12132-12137) were used. ABA receptors were expressed and purified as described above.For the values shown in Table B5, PP2C activity assays using recombinant receptors and PP2Cs were carried out as follows: purified proteins were pre-incubated in 160 &#956;l assay buffer containing 100 mM Tris-HCl-pH7.9, 100 mM NaCl, 3 &#956;g bovine serum albumin, 0.1% 2-mercaptoethanol, 1 mM MnCl2 with ABA or agonists (compounds of the present invention) for 30 minutes at room temperature. Reactions were started by adding 40 &#956;L of a reaction solution containing 25 mM 4-nitrophenyl phosphate in assay buffer after which absorbance measurements were immediately collected using a 405 nm on Wallac plate reader. Reactions contained 100 nM PP2C and 200 nM PYR/PYL proteins. Some quinabactin analogs possess intrinsic fluorescence, which necessitated the use of the non-fluorescent substrate 4-nitrophenol phosphate for phosphatase assays. For inferring IC50 values, calculations from receptor/PP2C assays containing different concentrations (ranging from 1 &#956;M to 4 nM) were. The obtained dose response data was fit to a log (inhibitor) versus response-(variable slope) model using non-linear regression to infer the IC50s, using Graph Pad Prism 6.0.
1236	1	EGFR in vitro assay	Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1× PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
1238	1	High Throughput Screening (HTS) by Fluorescence Polarization (pH = 7.2)	The enzyme in GCase enzyme activity buffer (25 &#956;L/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final concentration) was transferred to a 384-well black plate using a Labcyte Echo 550 Liquid Handler system. Compounds in DMSO stock solution (50 nL) were transferred to the plate. The plate was shaken at room temperature in dark for 20 min. The final concentration was 19.5 nM to 10 &#956;M, 10 concentrations, 2 times dilution. The fluorescence polarization was measured in a Molecular Devices Analyst GT with Ex=535 nm and Em=580 nm, G Factor=1.05. To the recombinant wild type enzyme (22 &#956;M, 95 &#956;L, 1 equiv) in 0.1 M phosphate buffer (pH 7.2) was added 2,5-dioxopyrrolidin-1-yl 3-(2-(2-(4-(4-(2,4-dimethylpyrrolo [1,2-a]pyrimidine-8-carboxamido)phenyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)propanoate (4) in DMSO (0.89 mM, 5 &#956;L, 2 equiv) in one portion, and was vortexed for 5 sec immediately. At indicated time points, the reaction solution (2 &#956;L) was sampled and diluted (1:3125 dilution) into the assay buffer (50 mM citric acid, 176 mM K2HPO4, and 0.01% Tween-20 at pH 5.9). After 2 h the reaction solution was dialyzed three times with 0.1 M phosphate buffer (pH 7.2). The enzyme was adjusted to the same concentration and sampled for activity. The dilution solutions were assayed with three substrates, resorufin substrate, 4-MU substrate, and natural substrate using the methods described in the examples above without adding compounds.
1238	2	High Throughput Screening (HTS) by Fluorescence Polarization (pH = 5.0)	pH = 5.0.
1238	3	High Throughput Screening (HTS) by Fluorescence Polarization (pH = 5.9)	pH = 5.9.
1238	4	High Throughput Screening (HTS) by Fluorescence Polarization (pH = 7.0)	pH = 7.0.
1239	1	BIOLOGICAL ASSAY	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
1240	1	Enzyme Inhibition Studies	Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino acids 831-1132), or JAK3 (amino acids 781-1124) under buffer conditions of 50 mM HEPES pH 7.3, 1 mM DTT, 0.01% Tween 20, 50 &#956;g/mL BSA, and 10 mM MgCl2. JAK enzyme was expressed as an N-terminal GST fusion in insect cells and purified by glutathione-affinity and size-exclusion chromatographies. Enzymes were assayed both at their respective ATP Km (JAK1: 55 &#956;M, JAK2: 15 &#956;M, JAK3: 3 &#956;M) and the approximated high end of physiological ATP concentration of 5 mM, in the presence of inhibitor dosed at 30, 3, 0.3, 0.03, 0.003 and 0 &#956;M final test concentrations. For JAK1, 6 nM of enzyme (for Km ATP assay) or 4 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2 (SEQ ID NO:1), Intonation, Boston, Mass.). For JAK2, 0.8 nM of enzyme (for Km ATP assay) or 0.3 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). For JAK3, 0.2 nM of enzyme (for Km ATP assay) or 0.1 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). Phosphorylated and unphosphorylated peptides were separated and quantified by a Caliper LC3000 system (Caliper Life Sciences, MA) for calculating percent inhibition. The results of this assay are shown in Table 16 and indicate that the compounds of Formula (I), (Ia), (Ib) and Table 1 exhibit preferential inhibition of JAK1 over JAK2 (in many cases demonstrating over 100 times selectivity for inhibition of JAK1 vs. JAK2).
1241	1	In Vitro Raf Activity Determination	Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 mM ethylenediaminetetraacetic acid (EDTA) and 0.01% Tween 20: b-Raf (V600E), active; biotinylated Mek, kinase dead; Alpha Screen detection kit (available from PerkinElmer, #6760617R); Anti phospho-MEK1/2 (available from Cell Signaling Technology, Inc. #9121); 384 well low volume assay plates (White Greiner plates).Assay conditions: b-Raf (V600E) approximately 4 &#956;M; c-Raf approximately 4 nM; biotinylated Mek, kinase dead approximately 10 nM; ATP 10 &#956;M for BRAF (V600E) and 1 &#956;M for CRAF; Pre-incubation time with compounds 60 minutes at room temperature; Reaction time 1 or 3 hours at room temperature.Assay protocol: Raf and biotinylated Mek (kinase dead) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 5 ml per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.25 ml of 40× of a Raf kinase inhibitor test compound diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature. The Raf kinase activity reaction was started by the addition of 5 mL per well of 2×ATP diluted in assay buffer. After 3 hours (b-Raf(V600E)) or 1 hour (c-Raf). The reactions were stopped and the phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 10 mL to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:2000 dilution of both beads) in Stop/bead buffer (25 mM EDTA, 50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and incubated for 1 hour at room temperature, after which the luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
1242	1	Measurement of FXIa Inhibition	The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 mM of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
1243	1	Screen Quest Fluo-8 No Wash Calcium Assay	Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cells stably transfected with P2X7 receptor using Screen Quest Fluo-8 No Wash Calcium Assay Kit (AAt Bioquest, cat. 36316). Once inside the cell, the lipophilic blocking groups of Fluo-8 are cleaved by non-specific cell esterases, resulting in a negatively-charged fluorescent dye that stays inside cells. Its fluorescence increases upon binding to calcium. When HEK-293/P2X7 cells are stimulated with Bz-ATP, Ca2+ enters the cells and the fluorescence of Fluo-8 NW increases. The dye has an absorption spectrum compatible with excitation at 488 nm by argon laser sources and its emission wavelength is in the range of 515-575 nm.HEK-293 cells stably transfected with P2X7 receptor were seeded overnight in growth medium at 10,000 to 20,000 cells/well in 384-well plate. 24 hours later, the medium was removed and the cells were pre-loaded at RT for 1 hour with 20 &#956;L/w of Fluo-8 NW. Then 10 &#956;L/w of test compounds and reference antagonist A438079 at 3×-concentration were injected with the FLIPRTETRA and the kinetic response over a period of five minutes was monitored. A second injection of 15 &#956;L/w of 3× reference activator (Bz-ATP at EC80) was performed with the FLIPRTETRA and the signal of the emitted fluorescence was recorded for additional three minutes. All the experiment was carried out in a Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+). The effect of the test compounds was measured as percent inhibition vs the reference antagonist and IC50 values were calculated accordingly.
1243	2	YO-PRO-1 Uptake Assay	YO-PRO -1 is a fluorescent DNA-binding dye with a MW of 374 Da (Molecular Probes, cat. Y3603). This method is based upon the presumed ability of YO-PRO-1 to enter through the dilated or "large pore form" of P2X7 receptor and to bind to intracellular DNA whereupon it increases many fold its fluorescence intensity. The dye has an absorption spectrum compatible with excitation at 488 nm by argon laser sources and its emission wavelength is in the range of 515-575 nm. The aim of this assay was to validate the interaction of antagonists with P2X7 receptor using an alternative readout to Ca2+-sensitive fluorescent dyes.HEK-293 cells stably transfected with P2X7 receptor were seeded overnight in growth medium at 20,000 cells/well in 384-well plate. 24 hours later, the medium was removed, the cells were washed with Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+) and then pre-loaded with 20 &#956;L/w of 5 &#956;M YO-PRO -1 dye. FLIPRTETRA fluorescence measurement immediately started. Then, 10 &#956;L/w of test compounds and reference antagonist A438079 at 3×-concentration were injected with the FLIPRTETRA and the kinetic response over a period of five minutes was monitored. A second injection of 10 &#956;L/w of 3× Bz-ATP EC80 (30 &#956;M) was performed with the FLIPRTETRA and the signal of the emitted fluorescence was recorded for additional 60 minutes. All the experiment was carried out with a Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+).The effect of the test compounds was measured as percent inhibition vs the reference antagonist and IC50 values were calculated accordingly.
1244	1	BRAF V600E Kinase Assay	V600EBRAF was generated by infection of SF9 insect cells cultured in SF-900 II medium (Invitrogen, Paisley, Scotland) with a baculovirus containing full-length human BRAF with an N-terminal histidine tag and purified by nickel-agarose affinity chromatography.
1244	3	hERG Inhibition	Studies were conducted at Cyprotex Discovery in Cheshire, UK according to the contractor&#39;s protocol. The studies were performed on an IonWorks HT instrument (Molecular Devices Corporation), which automatically performs electrophysiology measurements in 48 single cells simultaneously in a specialised 384-well plate (PatchPlate ). The cells used were Chinese hamster ovary (CHO) cells stably transfected with hERG (cell-line obtained from Cytomyx, UK). A single-cell suspension was prepared in extracellular solution (Dulbecco&#39;s phosphate buffered saline with calcium and magnesium pH 7-7.2) and aliquots added automatically to each well of a PatchPlate . The cells were then positioned over a small hole at the bottom of each well by applying a vacuum beneath the plate to form an electrical seal. The vacuum was applied through a single compartment common to all wells which was filled with intracellular solution (buffered to pH 7.2 with HEPES). The resistance of each seal was measured via a common ground-electrode in the intracellular compartment and individual electrodes placed into each of the upper wells.Electrical access to the cell was then achieved by circulating a perforating agent, amphotericin, underneath the PatchPlate and then measuring the pre-compound hERG current. An electrode was positioned in the extracellular compartment and a holding potential of &#8722;80 mV applied for 15 seconds. The hERG channels were then activated by applying a depolarising step to +40 mV for 5 seconds and then clamped at &#8722;50 mV for 4 seconds to elicit the hERG tail current, before returning to &#8722;80 mV for 0.3 seconds. Test compound was then added automatically to the upper wells of the PatchPlate from a 96-well microtitre plate containing a range of concentrations of compound TBAP-01. Quinidine, an established hERG inhibitor, was included as an experimental control. TBAP-01 was dissolved in DMSO and assayed at final concentrations ranging from 100 &#956;M to 32 nM in 0.25% DMSO. Buffer containing 0.25% DMSO was included as a negative control. The test compound was left in contact with the cells for 300 seconds before recording currents using the same voltage-step protocol as in the pre-compound scan. Each concentration was tested in 4 replicate wells.
1245	1	Biological Testing	The biochemical assay tests competitive binding of compounds to recombinant Hsp90&#945; protein and also Hsp90 found in cell specific complexes, and uses a fluorescence polarization method.7,23 When using cell lysates instead of recombinant protein, the assay measures binding to average Hsp90 population found in cell specific complexes.7 The cellular assays measure two specific biological effects observed upon addition of known Hsp90 inhibitors to cancer cells: (a) degradation of the tyrosine kinase Her224 and (b) mitotic block in Rb-defective cells.25 Overexpression of the receptor tyrosine kinase Her2 in SKBr3 breast cancer cells leads to Akt activation which in turn promotes cell survival. Hsp90 uniquely stabilizes Her2 via interaction with its kinase domain and an Hsp90 inhibitor induces Her2 degradation by disrupting the Her2/Hsp90 association.24 We have previously reported a fast microtiter immunoassay able of quantifying cellular levels of Her2 following drug treatments.26 This assay is used here to differentiate the Her2-degradative potential of the above synthesized purines. Hsp90 inhibitors are also known to cause cells lacking functional RB to progress normally through G1 and arrest in mitosis.25 Thus, another assay used here to test cellular Hsp90 inhibition relies on assessing the anti-mitotic potential of synthesized purines. The assay is a microtiter immunoassay and uses an antibody against a mitotically phosphorylated form of nucleolin to detect cells in mitosis.27 This antibody (Tg-3), originally described as a marker of Alzheimer&#39;s disease, is highly specific for mitotic cells, Tg-3 immunofluorescence being >50-fold more intense in mitotic cells than in interphase cells.28 In addition, the cytotoxicity of these agents against SKBr3 breast cancer cells was determined. A selected number of most active purines were also tested for possible toxicity against a normal cell line, renal proximal tubular epithelial cells (RPTEC).
1246	1	Binding Assay	BRD binding and inhibition was assessed by measuring the interaction of biotinylated acetyl-histone H4 peptide (Anaspec #64989) with the BRD target protein utilising AlphaScreen technology (Perkin Elmer). In a white 384-well low volume plate (Greiner #784076), 100 nL of compound series in DMSO (0.5% final concentration) was added to the BRD target protein (80 nM final). After 30 min incubation at RT, H4 peptide was added to a final concentration of 2.5 nM. AlphaScreen streptavidin donor beads and AlphaScreen nickel chelate acceptor beads were added to a final concentration of 10 ug/mL each and allowed to incubate in a darkened environment for 1 h at RT. Plates were read on an EnVision plate reader (Perkin Elmer) and IC50&#39;s calculated using a four parameter non-linear curve fit.These conditions are identical for all BRDs screened except BRD2D2 which uses 160 nM protein and 1.25 nM peptide.
1249	1	AKR1C3-Inhibitory Activity Assay	The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli as GST (glutathione S transferase) fusion protein and purified by glutathione Sepharose affinity chromatography. The GST was removed by digestion with thrombin and subsequent size exclusion chromatography (Dufort, I., Rheault, P., Huang, X F., Soucy, P., and Luu-The, V., Endocrinology 140, 568-574 (1999)).For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2.5 &#956;l of a solution of AKR1C3 in assay buffer [50 mM potassium phosphate buffer pH 7, 1 mM DTT, 0.0022% (w/v) Pluronic F-127, 0.01% BSA (w/v) and protease inhibitor cocktail (Complete, EDTA-free Protease Inhibitor Cocktail from Roche)] were added and the mixture was incubated for 15 min to allow pre-binding of the substances to the enzyme prior to the enzyme reaction. The enzyme reaction was then started by addition of 2.5 &#956;l of a solution of NADPH (20 &#956;M&#8594;final concentration in 5 &#956;l of assay volume is 10 &#956;M) and Coumberone (0.6 &#956;M&#8594;final concentration in 5 &#956;l of assay volume is 0.3 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of typically 90 min. The concentration of the AKR1C3 and the reaction time was adapted to the respective activity of the enzyme preparation and adjusted such that the assay was carried out in the linear range. Typical AKR1C3 concentrations were in the region of 1 nM. The reaction was stopped by addition of 2.5 &#956;l of a stop solution consisting of 3 &#956;M EM-1404 as inhibitor (U.S. Pat. No. 6,541,463) in 50 mM HEPES pH7.5 (3 &#956;M EM-1404&#8594;final concentration in 7.5 &#956;l of assay volume is 1 &#956;M). The fluorescence of the Coumberole was then measured at 520 nm (excitation at 380 nm) using a suitable measuring instrument (Pherastar from BMG Labtechnologies). The intensity of the fluorescence was used as a measure of the amount of Coumberole formed and thus of the enzyme activity of AKR1C3. The data were normalized (enzyme reaction without inhibitor=0% inhibition; all other assay components, but no enzyme=100% inhibition). Usually, the test substances were tested on the same microtiter plate at 11 different concentrations in the range from 20 &#956;M to 73 pM (20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 10.9 nM, 3.1 nM, 0.9 nM, 0.25 nM and 73 pM, the dilution series were prepared prior to the assay on the level of the 100-fold concentrated solution by serial 1:3 dilutions with 100% DMSO) in duplicates for each concentration, and the IC50 values were calculated using a 4-parameter fit.
1252	1	MNK2a In Vitro Kinase Assay (Assay 1)	The inhibition of kinase activity of MNK2a was assessed using pre-activated GST-MNK2a. The white, 384-well OptiPlate F plates were purchased from PerkinElmer. The ADP-Glo Kinase Assay (including ultra pure ATP) was purchased from Promega (V9103). Activated MNK2a was obtained as described in WO2011/104340. The unlabeled elF4E peptide (NH2-TATKSGSTTKNR-CONH2), differing from Seq. ID No. 5 of WO 2011/104340 by the C-terminal CONH2 group, was purchased from Thermo Fisher Scientific. All other materials were of highest grade commercially available. Compounds are tested in either serial dilutions or single dose concentrations. The compound stock solutions are 10 mM in 100% DMSO The serial compound dilutions are prepared in 100% DMSO followed by 1:27.3 intermediate dilution in assay buffer. The final DMSO concentration in assay will be <3%.In the 384-well plates 3 &#956;l of test compound from the intermediate dilution is mixed with 4 &#956;l of the activated MNK2 enzyme (final concentration of 10 nM) and 4 &#956;l of the peptide (final concentration of 25 &#956;M)/ultra pure ATP (final concentration of 20 &#956;M), all dissolved in assay buffer. This step is followed by an incubation time of 90 min, then 10 &#956;l of ADP Glo reagent are added, followed by 40 min of incubation. Then 20 &#956;l of kinase detection reagent are admixed. The plates are sealed and after an incubation period of 30 min, the luminescence signal is measured in an Envision reader to determine the amount of produced ADP. All incubation steps are performed at room temperature.The assay buffer consists of 20 mM HEPES, 2 mM DTT, 0.01% BSA, 20 mM MgCl2 and 0.1% Pluronic F-127.
1252	2	MNK1 In Vitro Kinase Assay (Assay 2)	The Z&#8242;-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. The peptide substrate is labeled with two fluorophores one at each end that make up a FRET pair.In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine, serine or threonine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognizes and cleaves non-phosphorylated FRET-peptides. Phosphorylation of FRET-peptides suppresses cleavage by the Development Reagent. Cleavage disrupts FRET between the donor (i.e., coumarin) and acceptor (i.e., fluorescein) fluorophores on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET. A ratiometric method, which calculates the ratio (the Emission Ratio) of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, is used to quantitate reaction progress, as shown in the equation below. Emission Ratio=Coumarin Emission(445 nm)/Fluorescein Emission(520 nm).
1255	1	Calcium Flux Inhibition Experiment	1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells were innoculated was removed and 40 &#956;l/well of freshly prepared dye was added. The plate was placed in a 37° C. incubator and incubated for 40 minutes at constant temperature.3. The medicament to be determined was diluted with calcium buffer to eight concentration gradients, which is 1×10&#8722;4 M, 1×10&#8722;5 M, 1×10&#8722;6 M, 1×10&#8722;7 M, 1×10&#8722;8 M, 1×10&#8722;9 M, 1×10&#8722;10 M, and 1×10&#8722;11 M, respectively, and homogeneously mixed.4. The dye was removed. Freshly prepared calcium buffer was used to wash for one time, 50 &#956;l of calcium buffer was added.5. FlexStation II was used for detection. 25 &#956;l of calcium buffer containing the medicament to be determined was added automatically from the 15th second. The fluorescence value at 525 nm was read ultimately.
1255	2	hERG Inhibition Activity Assay	1. CHO-hERG cells which have been incubated overnight were added with sample buffer and incubated for 90 minutes at room temperature in darkness.2. The sample buffer was removed and assay buffer was added.3. The compound is added to the cell plate and incubated for 20 minutes in darkness.4. Cell plate was placed into FDSS. The fluorescence signal was recorded every second for 10 seconds. Exciting buffer was added to the cells at the 10th second and the fluorescence signal was recorded every second for 180 seconds5. Data were processed.
1256	1	 In Vitro Inhibitory Activity of Caspase	Selectivity of compound 55, compound 63, compound 48, compound 57, compound 88 toward caspase-1 (pro-inflammatory group), caspase-5 (group I), caspase-9 (group II) and caspase-3 and caspase-7 (group III) was evaluated by using fluorometric methods using the Caspase-1, -3, -5, -7, -9 Inhibitor Drug Screening Kit (Catalog #: K151-100, K153-100, K155-100, K157-100, K159-100 respectively, BioVision). Briefly, using instructions of the manufacturer, a wide range of different concentrations of the compound: 3333, 1000, 333, 100, 33, 10, 3, and 1 nM (final concentration) was added directly to the reaction mixtures containing the substrate and the enzyme in a final volume of 10 &#956;l After a 30-minute incubation at 37° C., the liberation of AFC was measured as an endpoint assay using the Flexstation3 (Molecular Devices) with an excitation wavelength of 400 nm and an emission wavelength of 505 nm. The level of inhibition of caspase-1, -3, -5, -7, -9 activity was determined by comparison of the relative fluorescence intensity in samples with or without the compound.
1258	1	ELISA assay 	The studies began by screening for the optimal protein concentrations for the method. The studies were conducted in goat anti-mouse IgG coated black React-Bind 96 welled-plates (R&D Biosystems), referred to herein as the anti-mouse IgG plate. Twelve stock solutions were prepared containing a 1:1 stoichiometric mixture of gp120 and &#945;4&#946;7 integrin in PBS at pH 7.2 as given by 0 &#956;M or control, 0.001 &#956;M, 0.01 &#956;M, 0.01 &#956;M, 0.05 &#956;M, 0.1 &#956;M, 0.5 &#956;M. 1 &#956;M, 2.5 &#956;M, 5 &#956;M, 10 &#956;M and 25 &#956;M in protein (step 1, FIG. 1). A 200 &#956;L aliquot of each stock solutions was then loaded across a 96 welled plate and treated either with 20 &#956;L of PBS pH 7.2 (control) or 20 &#956;L of a 100 &#956;M stock solution of repandusinic acid (RA: compound whose anti-HIV activity is to be tested) in PBS pH 7.2 containing 1% DMSO. Three repetitions were run for both the control and positive or repandusinic acid treated experiments. The final concentration of repandusinic acid in each positive well was 10 &#956;M. The plate was incubated for 4 h at 4° C. on a plate mixer at a speed that created a vortex in each well.
1264	1	ALDH2 Assay	Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH 7.4, 0.01% Tween 20 in a final volume of 50 ul using 384-well plates. After 60 min of pre-incubation of compound with ALDH2 and formaldehyde, the reaction was started by adding NAD+ and the reaction mixture was allowed to proceed for 90 minutes. Activity of the enzyme was determined by monitoring NADH formation using Perkin-Elmer Envision Reader with excitation and emission wavelengths set at 340 and 460 nm, respectively.
1264	2	MAO-A and MAO-B Assay	MAO assays included luminogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reaction mixtures included microsome contained MAO-A (2 ug) or MAO-B (10 ug), 160 uM substrate for MAO-A or 16 uM substrate for MAO-B, MAO-A buffer (100 mM Hepes buffer, pH 7.5, 5% glycerol) or MAO-B buffer (100 mM Hepes, pH 7.5, 5% glycerol, 10% dimethyl sulfoxide) in a final volume of 30 ul. After 20 minutes of pre-incubation of the enzyme with compounds, the reaction was initiated by adding enzyme substrate and the reaction was allowed to proceed for 60 minutes. Reconstituted Luciferin Detection Reagent (30 ul) was then added is added to simultaneously stop the MAO reaction and convert the methyl ester derivative to luciferin and produce light. The amount of light produced is directly proportional to the activity of MAO. The mixtures were further incubated for 20 minutes and activity of the enzyme was determined using Perkin-Elmer Envision Reader.
1265	1	In Vitro Protease Assay	In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID NO: 6) and purified recombinant human IDE and recombinant human neprilysin (R&D Systems) according to the manufacturer&#39;s instructions. For IDE, 2 &#956;L of small molecule dissolved in DMSO was combined with 48 &#956;L, 0.2 &#956;g/mL IDE in IDE assay buffer (50 mM Tris, 1 M NaCl, pH 7.5). 50 &#956;L, of 20 &#956;M substrate peptide in IDE assay buffer was then added to initiate the reaction, and peptide cleavage was monitored on a fluorescent plate reader (excitation=320 nM; emission=405 nM) for 5 minutes. The above protocol was also used for assaying neprilysin activity, substituting the neprilysin assay buffer (50 mM Tris, 0.05% Brij-35, pH 9.0).Protease assays with THOP1 and NLN were performed using MCA-Pro-Leu-Gly-Pro-D-Lys(DNP)-OH (Bachem, SEQ ID NO: 7) and purified recombinant human THOP1 and NLN (R&D Systems) according to the manufacturer&#39;s instructions.
1266	1	Enzymatic Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1266	2	Enzymatic Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1266	3	Enzymatic Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1267	1	In Vitro Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
1268	1	TR-FRET Assay	The peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× Histidine-tagged (SEQ ID NO: 2) BIR2 domain and BIR3 domain of XIAP against a set of 29 peptides synthesized based on sequences reported by Sweeny et al. (Biochemistry, 2006, 45, 14740 14748). The peptides were labeled with the fluorescent tags FITC or TAMRA and Kd values were determined by fluorescence polarization assay. The sequence AVPIAQKSEK (SEQ ID NO: 3) was identified as optimal for using in an assay. The peptide sequence was derivatized with biotin to provide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 1) 1:2 TFA as the substrate for the TR-FRET assay.The XIAP protein sequence was obtained from the SWISS-PROT protein sequence database and the BIR2 and BIR3 domains were derived from that. The sequence of the BIR2 domain used for the TR-FRET assay is MRHHHHHHRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNW PDYAHLTPRELASAGLYYTGIGDQVQCFACGGKLKNWEPGDRAWSEHRRHFPNCFFVL GRNLNIRSE (SEQ ID NO: 4).The sequence of the BIR3 domain used for the TR-FRET assay is MRHHHHHHRSDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGF YALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTH SLEECLVRTT (SEQ ID NO: 5).Ten nanomolar of 6× Histidine-tagged (SEQ ID NO: 2) BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 20 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 1) 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/niL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 1.5 nM and 15 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations.
1269	1	Binding Assay	Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. Ford-Rice, 1992, Characterization of the binding of [3H](+)pentazocine to a recognition sites in guinea pig brain, Eur. J. Pharmacol. 227, 371-378) with some modifications. Guinea pig brains were homogenized in 10 vols. (w/v) of Tris-HCl 50 mM 0.32 M sucrose, pH 7.4, with a Kinematica Polytron PT 3000 at 15000 r.p.m. for 30 s. The homogenate was centrifuged at 1000 g for 10 min at 4° C. and the supernatants collected and centrifuged again at 48000 g for 15 min at 4° C. The pellet was resuspended in 10 volumes of Tris-HCl buffer (50 mM, pH 7.4), incubated at 37° C. for 30 min, and centrifuged at 48000 g for 20 min at 4° C. Following this, the pellet was re-suspended in fresh Tris-HCl buffer (50 mM, pH 7.4) and stored on ice until use.The radioligand used was [3H]-(+)-pentazocine at 5.0 nM and the final volume was 200 &#956;l. The incubation was initiated with the addition of 100 &#956;l of membrane at a final tissue concentration of approximately 5 mg tissue net weight/mL and the incubation time was 150 m. at 37° C. After incubation, the membranes were collected onto pretreated glass fiber filterplate (MultiScreen-FC, Millipore), with polyethylenimine 0.1%. The filters were washed two times with 200 &#956;l of washing buffer (50 mM Tris Cl, pH=7.4) and then 25 &#956;l of Ecoscint H liquid scintillation cocktail were added. Microplates were allowed to set for several hours and then quantified by liquid scintillation spectrophotometry (1450 Microbeta, Wallac). Nonspecific binding was determined with 1 &#956;M haloperidol.
1270	1	Electrophysiology Assay	Compounds were tested using a PatchXpress (Model 7000A, Molecular Devices, Union City Calif.) on CHO cells over-expressing h KCa3.1 at ChanTest Corporation, 14656 Neo Parkway, Cleveland, Ohio.The compounds I of the present invention exhibit IC50 values in the patch clamp assay of 10 nM to 10 &#956;M, preferably 10 nM to 1 &#956;M for patch clamp.
1272	1	In Vitro Assay	Activity on human GSK-3&#946; was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screening assay, compounds were tested in duplicate at a concentration of 10 &#956;M.Human recombinant enzyme GSK-3&#946; was incubated for 90 minutes at 22° C. in the presence of compounds or vehicle in a reaction buffer containing ATP plus 100 nM unphosphorylated specific substrate peptide (Ulight-CFFKNIVTPRTPPPSQG K-amide). Substrate phosphorylation was measured by LANCE technology (PerkinElmer, Conn., USA).The results, reported in the following Table 4, are expressed as a percentage of inhibition of control specific activity obtained in the presence of the test compounds (as % inhibition at 10 &#956;m).In a second assay, the same compounds were assayed at five concentrations ranging from 100 &#956;M to 10 nM with ten-fold dilutions in duplicate. Compounds 1 to 15 were tested using the same first assay, compounds 16 to 41 were tested in another assay based on the binding and displacement of AlexaFluor 647 labeled, ATP-competitive Kinase inhibitor scaffold using LanthaScreen TR-FRET technology Eu Kinase assay packet according to manufacturer&#39;s instruction (Life Technologies, Italy). The results of the two assays are comparable.
1274	1	Receptor Radioligand Binding Studies	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1×Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1×Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1274	3	Receptor Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1×Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1277	1	In Vitro Enzyme Inhibition Assay	The ability of the compounds disclosed herein to inhibit human plasma kallikrein activity was quantified according to the procedures below.A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock.Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4×hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK. 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads (15 minutes) is used to calculate the IC50.
1278	1	Kinase Assay	c-fms(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKSPGEYVNIEFG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
1279	1	In Vitro Enzymatic FRET Assay	The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.2 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 425 nm).
1279	2	In Vitro Enzymatic FRET Assay	Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for Cat D) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The Cat D substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (Cat D excitation 500 nm and emission 580 nm).
1284	1	Receptor Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H] (1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H] (1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). 
1284	2	Receptor Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 &#956;g/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1287	1	TrkA Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 &#956;M sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 200 pM TrkA, 1.5 &#956;M peptide substrate and 55 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. 
1287	2	TrkB Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkB (0.6 nM, Carna 08-187) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 300 pM TrkB, 1.5 &#956;M peptide substrate and 70 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242;prime value.
1287	3	c-FMS Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, c-FMS (0.14 nM, Carna 08-155) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 70 pM c-FMS, 1.5 &#956;M peptide substrate and 500 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 120 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242;prime value.
1287	4	TrkC Activity	Human TrkC, catalytic domain [456-825(end) amino acids of accession number NP_002521.2] was expressed as N-terminal GST-fusion protein (69 kDa) using baculovirus expression system. GST-TRKC was purified by using glutathione sepharose chromatography and stored in 50 mM Tris-HCl, 150 mM NaCl, 0.05% Brij35, 1 mM DTT, 10% glycerol, pH7.5 at &#8722;80 C. The kinase activity was measured by off-chip mobility shift assay. The enzyme was incubated with fluorecence-labeled substrate, Srctide, in the presence of 100 uM of ATP (Mg/or Mn)/ATP). The phosphorylated and unphosphorylated substrates were separated and detected by LabChip&#153;3000.
1288	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).
1289	1	In Vitro Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
1291	1	Enzyme Activity Assay	Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for both CYP17A1 and CYP21A2, and was the substrate studied for enzyme activity, IC50 determinations, and selectivity comparison. Two methods for detecting enzymatic activity were utilized. Analytical High Pressure Liquid Chromatography (HPLC) for biochemical assays was performed on a Prominence HPLC system (Shimadzu Scientific Instruments, Inc., Columbia, Md.) equipped with a C18 reverse phase 100 mm Luna Column (Phenomenex, Torrance, Calif.). The mobile phase consisted of 40% acetonitrile, 59% water, and 1% acetic acid with a 1 mL/min flow rate at 40° C. An injection volume of 32 &#956;L (CYP17A1) or 45 &#956;L (CYP21A2) was used. The presence of the CYP17A1 product 17&#945;-hydroxyprogesterone was detected with an absorption wavelength of 248 nm as reported by Devore, N. M.; Scott, E. E. Structure and function of human cytochromes P450 enzymes: Xenobiotic metabolism by CYP2A and steroid biosynthesis by CYP17A1. University of Kansas, Lawrence, K S, 2011. The presence of the CYP21A2 product 21-hydroxyprogesterone was detected with an absorption wavelength of 248 nm.
1293	1	Enzymatic Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production was determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. The values for a four parameter logistic curve fit of the data was determined.
1295	1	Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1295	3	Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1297	1	Human PTGES Biochemical Enzyme Inhibition Assay	Recombinant proteins (human isoforms) of PTGES containing a FLAG tag, expressed in baculovirus infected insect cells (Hi-5) and purified by affinity chromatography was used as enzyme in the assay. Substrate was prostaglandin H2 (Cayman Chemicals).For the assay, 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black microtiter plate (384 or 1536, Greiner Bio-One, Frickenhausen, Germany). 4 ul of a solution of human PTGES in assay buffer [100 mM sodium phosphate pH 7.2, 2.5 mM Glutathion reduced, 1 mM EDTA, 0.01% BSA, 0.4 mM DTT, 0.15 mM n-dodecylmaltoside] was added to the well containing test compound and incubated for 15-20 minutes to allow binding of the compound to the enzyme prior to the enzymatic reaction. The reaction was started by addition of 1 ul of an ice cold solution containing PGH2 (40 nM in assay buffer resulting in a final concentration of 8 nM PGH2 in the assay). Reaction time of the mix was 60 seconds at room temperature (PGH2 in aqueous solution quickly converts nonenyzmatically to PGE2 with a short half-life). The concentration of each isoform of PTGES was adapted to the activity of the respective enzyme preparation to maintain linear reaction properties within the reaction time. Typical concentration was around 0.75 nM. The reaction was stopped by addition of 1 ul of a solution containing 15 mM SnCl2 and 400 mM KF in water. SnCl2 converts the remaining unstable PGH2 to stable PGF2alpha. Then, 3 ul of the a first detection solution containing PGE2-D2 (Cisbio Bioassays, TR-FRET reagent, diluted according to the manufacturer&#39;s recommendation, typically 1:20 in reconstitution buffer) was added. Finally, 3 &#956;l of the second detection solution containing Lanthanide-kryptate labelled anti-PGE2 antibody (Cisbio Bioassays, diluted according to the manufacturer&#39;s recommendation, typically 1:20 in reconstitution buffer) was added to the mix. The resulting mix was incubated overnight at 4° C. to allow the formation of a complex of PGE2 and the detection reagents. The amount of PGE2 that had been produced by PTGES from PGH2 was then determined by testing resonance energy transfer of the Lanthanide-kryptate labelled anti-PGE2 antibody to PGE2-D2. Hereby the fluorescent emissions at 620 nm and 665 nm were measured after excitation at 337-350 nm in a TR-FRE compatible microplate reader (typically BMG Pherastar or Perkin-Elmer ViewLux). The ratio of the emissions at 665 nm and 620 nm was used to determine the amount of PGE2 that was catalyzed by the enzyme. Data were normalized (enzyme reaction without inhibitor=0% inhibition, assay setup without enzyme=100% inhibition). Compounds were tested in duplicates at up to 10 concentrations (for example 20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 11 nM, 3.1 nM, 0.89 nM, 0.25 nM and 0.073 nM). Dilution series were made prior to the assay in a 100 fold concentrated form by serial dilution. IC50 values were calculated by 4-Parameter fitting.
1298	1	Known Inhibitors of Carbonic Anhydrase	Compounds which are CAIs are well known in the art, see for example, Pastorekova et al, Journal of Enzyme Inhibition and Medicinal Chemistry, 19(3), 199-229, 2004. Methods for determining the carbonic anhydrase inhibitory activity of a compound, i.e. whether a compound can be classified as a CAI, are known in the art and may usefully identify further compounds which may be suitable for use in the present invention. Exemplary methods and levels of activity required for consideration as CAIs are described in US 20020022245 and the references cited therein, the contents of which are incorporated herein by reference, in particular Supuran et al, European Journal of Medicinal Chemistry, 1998, 33, 577-594 and Scozzafava et al, Journal of Medicinal Chemistry, 1999, 42 25, 3690-3700).
1299	1	Cathepsin Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM.Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L.Substrate (20 Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).Z=Benzyloxycarbonyl.AMC=7-Amino-4-Methyl-Coumarin.DTT=dithiothreitol.Final volume: 100 &#956;L.Excitation 360 nm, Emission 465 nm.Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
1300	1	A RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1300	3	RET G810R Mutant Assay	The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#9633;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
1301	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1301	3	RET G810R Mutant Assay	The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
1302	1	Binding Assay on Recombinant Human Histamine H4 Receptor	Receptor binding was assessed using isolated plasma membranes from SKNMC neuroblastoma cell lines stably expressing recombinant human H4 receptor. To isolate plasma membrane enriched in recombinant human H4 receptor, cells were collected from 100 culture dishes (150 mm) in PBS-EDTA. The cells were pellet by centrifugation (800 g) and resuspended in 5×TE buffer (50 mM Tris/5 mM EDTA). The cells were then homogenized and centrifuged at 1000 g for 10 min. The supernatant was collected and centrifuged for an additional 26000 g for 30 min. The supernatant was removed and the pellet was gently resuspended in 30 ml of 5×TE buffer. Protein concentration was then determined using Bradford protein assay (Bradford, M. M., Anal. Biochem., 1976, 72: 248-254). Isolated cell membranes were incubated with 2×KD (10 nM), [3H] histamine (Specific activity: 23 Ci/mmol), with or without test compounds for 45 min at 25° C. Nonspecific binding was defined with 100 &#956;M cold histamine. Ki values were calculated based on an experimentally determined appropriate KD values according to Cheng and Prusoff (Biochem. Pharmacol. 1973, 22(23):3099-3108). Membranes were harvested by rapid filtration using the 96 well Brandel system or a cell harvester using a Whatman GF/C filter or filter plates treated with 0.5% polyethylenimine (PEI), and washed 4 times with ice-cold 50 mM Tris/5 mM EDTA buffer. Filters were then dried, mixed with scintillant and radioactive counts were determined.
1303	1	In vitro kinase assay	This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet the assay requirements. Other exemplary kinase assays are detailed in U.S. Pat. No. 5,759,787 and U.S. application Ser. No. 12/728,926, both of which are incorporated herein by reference.
1304	1	DNA-PK Assay (Biochemical)	The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 &#956;g of DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK-biotin-NH2 (biotin-DNA-PK peptide), were incubated for 90 min at room temperature in a total volume of 36.5 &#956;l (34.25 mM HEPES/KOH; 7.85 mM Tris HCl; 68.5 mM KCl; 5 &#956;M ATP; 6.85 mM MgCl2; 0.5 mM EDTA; 0.14 mM EGTA; 0.69 mM DTT; pH 7.4) with 500 ng of DNA from calf thymus, 0.1 &#956;Ci of 33P-ATP and 1.8% of DMSO per well with and without the test compound. The reaction was stopped using 50 &#956;l/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 &#956;l of 0.9% saline solution. A nonspecific reaction (blank value) was determined using 10 &#956;M of an innate kinase inhibitor. The radioactivity measurement was carried out using a TopCount. IC50 values were calculated in RS1.
1304	2	Kv11.1 (hERG) ION CHANNEL ACTIVITY (Patch Clamp Assay)	Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go related gene) is a potassium channel which plays a central role for repolarisation of the cells in the ventricular cardiomyocytes.The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been transfected in a stable manner with the hERG gene.The whole-cell configurations were carried out using an automated patch clamp device (Patchliner, Nanion Technologies, Munich). This is a glass chip-based system with which automated whole-cell measurements on up to 8 cells simultaneously are possible. The glass chip has a hole of defined size to which the cell is transferred into the Gigaseal by application of a reduced pressure and brought into the whole-cell configuration. Buffer, cell suspension and test substances were added to microchannels of the chip using a Teflon-coated pipette. The cells were clamped to a holding potential of &#8722;80 mV. For measurement of substancepromoted inhibition of the Kv11.1 channel, the following voltage protocol was applied at 10-second intervals: 51 ms/&#8722;80 mV, 500 ms/+40 mV, 500 ms/&#8722;40 mV, 200 ms/&#8722;80 mV. The leakage current is subtracted by means of the P4 method. The cells were resuspended in extracellular buffer (EC) and applied to the chip. After the cell had been collected, the seal was improved by addition of a seal enhancer buffer. As soon as the whole-cell configuration had been reached, the seal enhancer buffer was washed out and replaced by extracellular buffer. The measurement started in EC for 1.5 min. DMSO (vehicle control, 0.1% of DMSO) was then applied, and the control current was recorded for 3 min. The test substance was subsequently added twice in the same concentration, and the potassium current was measured for 3.5 min in each case.If the measurement result of a test substance at an initial concentration of 10 &#956;M was smaller than (&#8722;)50% effect (threshold value) (for example (&#8722;)60% effect), the test substance was, in order to determine a dose/action relationship, added cumulatively in increasing concentration, where each concentration was measured for 5 min.The reference substance used was the Kv11.1 (hERG) ion channel blocker quinidine. The effects of test substances and quinidine were standardised to the associated vehicle control. The effect on the Kv11.1 (hERG) channel activity was assessed from the potassium current at &#8722;40 mV. For the calculation, the current was evaluated for the respective final trace. A test-substance-induced inhibition of the Kv11.1(hERG) channel was standardised to the vehicle control (0.1% of DMSO).During the measurement, an aliquot of the test substance was taken for concentration determination. The sample was measured immediately by HPLC, and the final concentration was determined from a calibration curve.
1305	2	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
1305	4	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reaction is started by the addition of NADPH and &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear with respect for time for consumption of both cofactor and substrate. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 100× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.25 &#956;g/ml IDH2 R140Q protein. The test compound is then incubated for one hour at room temperature with the enzyme; before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 4 &#956;M NADPH and 1.6 mM &#945;-KG in the buffer described above. After a further 16 hours of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.For determination of the inhibitory potency of compounds against IDH2 R140Q in an assay format similar to the above, a similar procedure is performed, except that the final testing concentration is 0.25 &#956;g/ml IDH2 R140Q protein, 4 &#956;M NADPH and 1.6 mM &#945;-KG.For determination of the inhibitory potency of compounds against IDH2 R140Q in a high throughput screening format, a similar procedure is performed, except that 0.25 &#956;g/ml IDH2 R140Q protein is utilized in the preincubation step, and the reaction is started with the addition of 4 &#956;M NADPH and 8 &#956;M &#945;-KG.
1305	1	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	In the primary reaction, the reduction of &#945;-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH remaining at the end of the reaction time is measured in a secondary diaphorase/resazurin reaction in which the NADPH is consumed in a 1:1 molar ratio with the conversion of resazurin to the highly fluorescent resorufin. Uninhibited reactions exhibit a low fluorescence at the end of the assay, while reactions in which the consumption of NADPH by R132H IDH1 has been inhibited by a small molecule show a high fluorescence.The primary reaction is performed in a volume of 50 &#956;L 1× Buffer (150 mM NaCl, 20 mM Tris 7.5, 10 mM MgCl2, 0.05% (w/v) bovine serum albumin), contained 0.25 ug/mL (2.7 nM) IDH1 wt/IDH1 R132H heterodimer, 0.3 mM alpha-ketoglutarate, 4 &#956;M NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation), and 1 uL of 50× compound in DMSO. The mixture of compound, enzyme, and cofactor is pre-incubated at room temperature for 1 hr prior to the addition of alpha-ketoglutarate. To perform the secondary reaction, 10 uL of 1× buffer containing 36 &#956;g/ml diaphorase and 30 mM resazurin is added to the primary reaction and incubated for a further 5 minutes at 25° C. Florescence is read on a Spectramax platereader at Ex 544 Em 590. Compounds or compound dilutions are prepared in 100% DMSO concentration and diluted 1:50 into the final reaction. IDH1 wt/IDH1 R132C is assayed under similar conditions except that 1X Buffer is 50 mM K2HPO4, pH 6.5; 10 mM MgCl2; 10% glycerol; 0.03% (w/v) bovine serum albumin and final concentrations are 0.4 ug/mL (4.3 nM) IDH1 wt/IDH1 R132C heterodimer, 0.02 mM alpha-ketoglutarate, 4 uM NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation). IC50s are determined.IDH1 or IDH2 wildtype (wt) and mutant heterodimers are expressed and purified by methods known in the art. For example, IDH1 wt/R132m heterodimer is expressed and purified as follows. Co-expression of IDH1 wt-his and IDH1R132C-flag is carried out in sf9 insect cells. Cells (25 g) are resuspended in 250 ml of 50 mM Tris, 500 mM NaCl, pH7.4, at 4° C. with stirring. Cells are disrupted with 4 passes through an M-Y110 Micro fluidizer (Microfluidics) set to 500 psi, and then centrifuged at 22,000 ref for 20 min at 4° C. The supernatant is harvested and loaded at 15 cm/h on a Histrap FF 5*1 ml column (GE) which is equilibrated with 50 mM Tris, 500 mM NaCl, pH7.4. Host cell contaminants are removed by washing the column with equilibration buffer followed by equilibration buffer containing 20 mM imidazole and 60 mM imidazole to baseline. IDH1 wt-his homodimer and IDH1 wt-his/IDH1R132C-flag are eluted by equilibration buffer containing 250 mM imidazole. Fractions eluted by 250 mM imidazole are pooled together and loaded at 15 cm/h onto a column pre-packed with 10 ml ANTI-FLAG M2 Affinity Gel (Sigma), the column is equilibrated with 50 mM Tris, 500 mM NaCl, pH7.4. After washing with equilibration buffer, IDH1 wt-his/IDH1R132C-flag heterodimer is eluted by equilibration buffer containing flag peptide (0.2 mg/ml). Aliquots of IDH1 wt-his/IDH1R132C-flag are flash frozen in liquid N2 and stored at &#8722;80° C. Same conditions are used for the purification of IDH1 wt-his/IDH1R132H-flag.
1305	3	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132H homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol) containing 5 &#956;M NADPH and 37.5 &#956;M NADP; 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 60 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: IDH1-R132C homodimer enzyme is diluted to 0.1875 &#956;g/ml in 40 &#956;l of Assay Buffer (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA) containing 5 uM NADPH and 28.75 uM NADP. The concentration of alpha-ketoglutarate in the Substrate Buffer is 1 mM.
1305	5	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, then the reaction is started by the addition of &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 50× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.39 &#956;g/ml IDH2 R140Q protein, 5 uM NADPH and 750 uM NADP. The test compound is then incubated for 16 hrs at room temperature with the enzyme and cofactors before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 8 mM &#945;-KG (final concentration 1.6 mM) in the buffer described above. After a further 1 hour of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 al Stop Mix (36 g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.
1307	1	Inhibitory Activity	The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the presence of ascorbate, which reacts with MPO-derived hypochlorous acid (HOCl) to form dehydro-ascorbate. The loss of ascorbate is followed by measuring absorbance at 260 nm.Assay buffer: 100 &#956;M diethyl triamine pentaacetic acid (DTPA) in buffer consisting of 10 mM Na2HPO4/NaH2PO4, 3 mM KCl in 140 mM NaCl, pH 7.4.Enzyme solution: MPO purified from the human cell line HL60, 1.38 nM (final concentration 0.7 nM) and L-ascorbate, 100 &#956;M (final concentration 50 &#956;M) in Assay bufferSubstrate solution: H2O2, 98 &#956;M (final concentration 49 &#956;M) Forty &#956;L of the enzyme solution was added to 0.6 &#956;L compound serially diluted in DMSO. Absorbance was measured at 260 nm to obtain a compound blank value. After an additional 10 min, 40 &#956;L of the substrate solution was added and the absorbance at 260 nm was recorded between 4 and 40 min to obtain kinetic readings of enzyme activity. 
1307	2	Inhibitory Activity	To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with methionine, which is converted to dehydro-methionine, which in turn is detected by reacting it with excess iodide at acidic pH. The reaction converts I&#8722; to I3 &#8722; that has absorbance at 353 nm. In brief, 0.6 &#956;L compound serially diluted in DMSO was added to 25 &#956;L 50 nM baculovirus-expressed recombinant human TPO (obtained from RSR Ltd, Cardiff, UK) in assay buffer (100 mM Na2HPO4/NaH2PO4, pH 7.4), after which absorbance at 353 nm was read to obtain a blank value. The enzyme reaction was initiated by the addition of 25 &#956;L of a mix consisting of 2 mM methionine, 20 &#956;M NaI and 100 &#956;M H2O2 in assay buffer, and stopped by the addition of 10 &#956;L catalase, 0.25 mg/mL. After an additional 5 min, 25 &#956;L 600 mM sulphuric acid followed by 25 &#956;L 100 mM KI were added, and absorbance at 353 nm was read 5 min after this addition. IC50 values of the compounds tested were obtained using standard procedures.In general, the compounds disclosed herein, which were tested, had a surprisingly high selectivity for the MPO enzyme over the TPO enzyme within the range of 220-1600 for the ratio IC50 (TPO)/IC50 (MPO). 
1308	1	Z-lyte FRET Assay	The inventors undertook a screen of the NCI Diversity set using a Z-lyte FRET assay (Kang et al. (2009); Wu et al. (2010)) to measure kinase inhibition. 
1309	1	Kinase Inhibition Assay	Measurement of the kinase inhibitory activity of each compound produced in Examples was conducted using the Off-chip Mobility Shift Assay. For this test, a human recombinant VEGF receptor 2 was prepared in a baculovirus expression system. A recombinant protein was expressed as a GST fusion protein by using 790-1356 amino acids of a cytosolic domain in the VEGF receptor 2 (NP 002244.1) and binding a glutathione-S-transferase (GST) to N-terminal thereof. The expressed GST-VEGF receptor 2 fusion protein was purified using glutathione-sepharose chromatography. In addition, the test substance was dissolved in dimethylsulfoxide to prepare a solution at a concentration about 100 times higher than the test concentration. Furthermore, the solution was diluted with an assay buffer (20 mM HEPES, 0.01% Triton X-100 and 2 mM DTT, pH7.5) by 25 times to prepare a 4-time concentrated test substance solution. In the kinase inhibition assay, CSKtide was used as a substrate. In the kinase reaction, 10 mL of 2-time concentrated VEGF receptor 2 kinase solution, 5 mL of 4-time concentrated test substance solution prepared with the assay buffer, and 5 mL of 4-time concentrated substrate/ATP/metal solution were mixed in wells of a polypropylene 384-well plate, and reacted at room temperature for 1 hour (substrate concentration: CSKtide 1000 nM, ATP concentration: 75 &#956;M, Magnesium: 5 mM). One hour after, 60 mL of Termination Buffer (QuickScout Screening Assist MSA) was added so as to terminate the reaction. After that, the substrate peptide and the phosphorylated peptide in the reaction solution were separated by LabChip3000 system (Caliper Life Science), and the both peptides were quantified. 
1310	1	Fluorescent Polarization Assay	The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptide by human CDK9/CyclinT kinase complex by fluorescent polarization using a commercially available IMAP Screening Express Assay Kit (Molecular devices).Test compounds were diluted in 100% DMSO to 5 mM stock concentration, then further dilutions were made in H2O or 100% DMSO to desirable concentrations. Each reaction consisted of 5 nM enzyme: CDK9/CyclinT (Proqinase cat#0371-0345-1), 400 nM TAMRA-Rbtide (synthetic 15-mer peptide derived from human retinoblastoma tumor suppressor protein labeled with TAMRA dye, Genecust Europe), 12 &#956;M ATP (=Kmapp, Sigma-Aldrich) and kinase buffer: 20 mM MOPS pH 7 (Sigma-Aldrich), 1 mM DTT (Sigma-Aldrich), 10 mM MgCl2 (Sigma-Aldrich), 0.01% Tween 20 (Sigma-Aldrich).For each reaction, 4 or 6 &#956;l containing TAMRA-Rbtide, ATP and kianse buffer were combined with 2 &#956;l diluted compound in H2O or 0.028 &#956;l compound in 100% DMSO. The kinase reaction was started by the addition of 2 &#956;l diluted enzyme. 
1311	1	Binding Assay	The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incubation buffer was: 50 mM Tris, 10 mM MgCl2, 0.1% BSA, pH 7.4.In the assay mixture (200 &#956;l), membranes (40 &#956;g protein in incubation buffer) from CHO-K1 cells with stably expressed human V1a receptors (cell line hV1a_5_CHO) were incubated with 0.04 nM 125I-AVP (8-Arg-vasopressin, PerkinElmer NEX 128) in incubation buffer (50 mM Tris, 10 mM MgCl2, 0.1% BSA, pH 7.4) (total binding) or additionally with increasing concentrations of test substance (displacement experiment). The nonspecific binding was determined with 1 &#956;M AVP (Fluka 94836). Duplicate determinations were carried out.After incubation (60 minutes at room temperature), the samples were processed as described for V1b.
1312	1	 &#946;-Glucuronidase Activity Assay	The &#946;-glucuronidase assay was performed by the addition of 0.5 &#956;l of compound (or DMSO) to the well of a black 384-well plate followed by the addition of 30 &#956;l of diluted &#946;-glucuronidase enzyme. The enzyme was diluted in assay buffer (50 mM HEPES, pH 7.4) plus 0.0166% Triton X-100 for a final enzyme concentration of 50 pM and final detergent concentration of 0.01%. After a 15 minute incubation at room temperature (23° C.), 20 ul of substrate, 4-Methylumbelliferyl &#946;-D-glucuronide hydrate (4MUG) diluted into assay buffer, was added to the reaction for a final concentration of 125 uM. &#946;-glucuronidase hydrolyzes the non-fluorescent 4MUG resulting in a fluorescent product, 4-methylumbelliferyl. After a 30 minute incubation at room temperature, the reaction was stopped by the addition of 20 ul 1 M Na2CO3. The fluorescence (in relative fluorescence units, RFU) was measured using a 355 nm excitation filter and 460 nm emission filter using a Victor V (Perkin Elmer) plate reader. Minimum (min) controls were performed using reactions with no enzyme. Maximum (max) controls were performed using no compound. 1% DMSO was maintained in all reactions. Percent inhibition was calculated using RFU data by the following formula: [1&#8722;(assay readout-average of min)/(Average of Max-Average of Min)]×100
1316	1	JAK Caliper Enzyme Assay	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 4 &#956;M ATP and 1 &#956;M peptide substrate. The JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
1316	2	JAK Caliper Enzyme Assay	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
1318	1	Inhibition Assay	2 &#956;l (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypropylene 384-well compound plates using either the Bravo (384-well head from Agilent) or 12.5 &#956;l 16-channel Matrix multi-channel pipette (Matrix Technologies Ltd). Each well with the 200× compound solution is diluted 1:20 by the addition of 38 al assay buffer+DMSO (10.5% DMSO, 45 mM Tris-HCl, 123 mM NaCl, 2.4 mM KCl, and 0.9 mM MgCl2 at pH 8.0 and equilibrated to room temperature).
1319	1	TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Fluoresence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease: 10 nM Eu-streptavidin (Perkin-Elmer Catalog #AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog #STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog #PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.
1320	1	LANCE Ultra Assay	The LANCE Ultra assay kit was purchased from PerkinElmer. The ULight-MBP peptide, Europium labeled Antibody and LANCE Detection buffer were purchased from PerkinElmer. The APT and dimethylsulfoxide were purchased from Sigma-Aldrich. The 5× Kinase buffer were purchased from Invitrogen. The MAP kinase 1 (Mek1), inactive Erk1 were purchased from Millipore. A Mek1 kinase assay (LANCE, PerkinElmer) was developed for supporting compound profiling and lead optimization. In this assay, un-phosphorylated/inactive Erk1 (Millipore) was used as the substrate for Mek1 (Millipore). Then the phosphorylated Erk1 was able to phosphorylate ULight-MBP peptide (PerkinElmer). The phosphorylated peptide was detected by Europium-anti-phospho-MBP (PerkinElmer). In a reaction, the activity of Mek1 (0.5 nM) was measured in a buffer containing 50 &#956;M ATP, 2 nM inactive Erk1, 2 nM ULight-MBP peptide, and a compound for 90 min at 23° C. After quenching the reaction with xxx, 2 nM Europium-anti-phospho-MBP was added to the reaction mixture and incubated for 60 min, followed by a detection using EnVision Multilabel Plate Reader (PerkinElmer). 
1322	1	Enzyme Inhibition Assay	FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-&#956;l assay mixtures containing 100 mM NaADA, pH 6.5 (ADA=N-[2-acetamido]-2iminodiacetic acid), 250 &#956;M crotonoyl-CoA, 625 &#956;M NADH and 50 &#956;g/ml S. aureus ATCC 29213 FabI. Inhibitors were typically varied over the range of 50 to 0.39 &#956;M. The reaction mixtures were incubated for 30 minutes at room temperature and the reaction was stopped by adding 200 mM Tris buffer (pH 9.0) to create a pH-shift. The consumption of NADH was monitored by measuring the change in absorbance at 340. By comparing sample readings to those of negative (absence of compound) and positive (absence of enzyme) controls, the percent inhibition of enzymatic activity of the compounds was determined. A best-fit curve is fitted by a minimum of squares method. 
1324	1	Biochemical Assay	Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of which is hereby incorporated by reference as it relates to such assays. For example, the biochemical activity IC50 values are determined with respect to inhibition of B-Raf kinase activity, c-Raf-1 kinase activity, or B-Raf V600E kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested are diluted in dimethyl sulfoxide to a concentration of 0.1 mM. These are serially diluted 15 &#956;L into 30 &#956;L of dimethyl sulfoxide seven times in 96 well plates for a total of 8 dilution points, and for each dilution point 1 &#956;L is added to a well of an assay plate. Plates are prepared such that each well in a 384 well plate contains 1 &#956;L of compound in 10 &#956;L volume with 0.1 ng Raf enzyme (i.e. any of B-Raf, c-Raf-1 or B-Raf V600E, Upstate Biotechnology or prepared by methods known to one of skill in the art), 50 mM HEPES, pH 7.0, 50 mM NaCl, 2 mM MgCl2, 1 mM MnCl2, 0.01% Tween-20, 1 mM DTT, and 100 nM biotin-MEK1 as substrate. The reaction is started with addition of 10 &#956;L of 200 &#956;M ATP (i.e. final 100 &#956;M ATP). After incubation of the kinase reaction for 45 minutes at room temperature, 5 &#956;L/well of Stop Solution is added (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA with donor beads (Streptavidin coated beads, Perkin Elmer), acceptor beads (Protein A coated, Perkin Elmer), and anti phosphor MEK1/2 antibody (CellSignal), each at final concentration 10 &#956;g/mL). The plates are incubated for 3 hours at room temperature and read on Envision reader (Perkin Elmer). Phosphorylation of Mek1 results in binding of the anti-phosphor-MEK1/2 antibody and association of the donor and acceptor beads such that signal correlates with kinase activity.
1324	2	Inhibition Assay	The inhibition of CYP enzyme activity (IC50) for each of CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4(BFC) and CYP3A4(BQ) is determined for compounds, where inhibition of metabolism of a known substrate leads to a decrease in the fluorescence of the metabolized product. The fluorescence of the product is monitored as a function of compound concentration. Compounds are dissolved in dimethyl sulfoxide to a concentration of 100 mM. These are diluted 1 &#956;L into 82 &#956;L of acetonitrile. An 11 &#956;L aliquot of this solution is then added to 204 &#956;L of cofactor mix (1.3% NADPH Regeneration system Solution A, 1.04% NADPH Regeneration system Solution B from BD Biosciences, 5% acetonitrile and 0.05% dimethyl sulfoxide). These are then serially diluted 1:1 (160 &#956;L to 160 &#956;L co-factor mix) for a total of 10 points. A 10 &#956;L aliquot of this final mixture is dispensed into 384 well assay plates and incubated for 10 minutes at 37° C. Enzyme and substrate mix (10 &#956;L; 0.5 pmol CYP1A2/5 &#956;M CEC; 1.0 pmol CYP2C9/75 &#956;M MFC; 0.5 pmol CYP2C19/25 &#956;M CEC; 1.5 pmol CYP2D6/1.5 &#956;M AMMC; 1.0 pmol CYP3A4/50 &#956;M BFC; or 1.0 pmol CYP3A4/40 &#956;M BQ) is added to these assay plates. Assay plates are incubated at 37° C. (CYP1A2-15 min; CYP2C9-45 min; CYP2C19, 2D6 and 3A4-30 min) and read in a Tecan Safire 2 plate reader (CYP1A2, 2C19 and 3A4 409 ex/460 em; CYP2C9 and 2D6 409 ex/530 em). 
1326	1	Inhibition Assay	Inhibition activities of all the N-substituted pyrazolo [3,4-d] pyrimidine ketone compounds according to the present invention to the phosphodiesterase IX are tested.
1327	1	Inhibition Assay	The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 &#956;l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. #A-7906), 50 nM cGMP (Sigma, cat. #G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. #TRK392 S.A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat #SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 &#956;l of YSi-SPA scintillation beads (GE Healthcare, cat. #RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer TopCount Scintillation plate reader.
1328	1	Enzymatic IDO Assay	The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; 70 nM purified human IDO protein, 200 &#956;M L-tryptophan, 20 mM ascorbate, 20 &#956;M methylene blue, 0.1% DMSO. The inhibitors were initially diluted in DMSO at 100 mM and were diluted in potassium phosphate 50 mM, added to the reaction mixture at final concentrations raging from 1 mM to 5 nM and preincubated with the enzyme for 5 min at 25° C. The reaction was started by addition of L-tryptophan to 200 &#956;M and incubated 15 min at 37° C. The reaction was stopped by addition of 0.5 vol of 30% trichloroacetic acid and incubated 30 min at 60° C. to hydrolyze N-formylkynurenine to kynurenine. The reaction was centrifuged at 3400 g for 5 min to remove precipitated protein and the supernatant was reacted with 2% (w/v) of p-dimethylaminobenzaldehyde in acetic acid. The reaction was incubated 10 min at 25° C. and read at 480 nm in a spectrophotometer. Control samples with no IDO inhibitor, or with no IDO enzyme or with the reference inhibitors 1-methyl-tryptophan (200 &#956;M) and menadione (1.2 &#956;M) were used as controls to set the parameters for the non-linear regressions necessary for determination of the IC50 for each compound. 
1328	2	Enzymatic TDO Assay	The IC50 values for each compound were determined by testing the activity of TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; 200 nM purified human TDO protein, 200 &#956;M L-tryptophan, 20 mM ascorbate 0.1% DMSO. Differently from the IDO activity assay, no methylene blue is added to the assay. The inhibitors were initially diluted in DMSO at 100 mM and were diluted in potassium phosphate 50 mM, added to the reaction mixture at final concentrations raging from 300 &#956;M to 5 nM and preincubated with the enzyme for 5 min at 25° C. The reaction was started by addition of L-tryptophan to 200 &#956;M and incubated 15 min at 37° C. The reaction was stopped by addition of 0.5 vol of 30% trichloroacetic acid and incubated 30 min at 60° C. to hydrolyze N-formylkynurenine to kynurenine. The reaction was centrifuged at 3400 g for 5 min to remove precipitated protein and the supernatant was reacted with 2% (w/v) of p-dimethylaminobenzaldehyde in acetic acid. The reaction was incubated 10 min at 25° C. and read at 480 nm in a spectrophotometer. Control samples with no TDO inhibitor, or with no TDO enzyme were used as controls to set the parameters for the non-linear regressions necessary for determination of the IC50 for each compound. 
1329	1	Enzymatic Assay	PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incubated with different concentrations of compounds in a buffer containing 100 mM Tris-HCl pH 8.0, 100 mM NaCl, 20 mM MgCl2, and 1% DMSO for 30 min at RT. The auto-PARylation reaction was initiated by addition of 500 nM NAD and 20 ng/ul activated DNA (Sigma) and incubated at RT for 40 min. The remaining NAD was detected by incubation with cycling assay solution containing 1% ethanol, 0.30 U/ml alcohol dehydrogenase, 25 uM resazurin, and 0.25 U/ml diaphorase for 50 min at RT. The concentration of NAD is proportional to the fluorescence signal at Ex540 nm/Em 590 nm. The IC50s were calculated based on residual enzyme activity (the rate of NAD decrease) in presence of increasing concentrations of compounds.
1329	2	Enzymatic Assay	PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with the kits. Briefly, histones were coated in a high binding plate first, and incubated with PARP-2 or PARP-3, and increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD and activated DNA were added to the wells. The biotinylated PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. The IC50s were calculated based on residual enzyme activity in presence of increasing concentrations of compounds.
1329	3	Enzymatic Assay	Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GST-fused tankyrase-2 (recombinant protein expressed and purified from Bacluovirus) were coated on a GSH-precoated plate first, and incubated with increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD was added to the wells. The biotinylated auto-PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. The IC50s were calculated based on residual enzyme activity in presence of increasing concentrations of compounds.
1330	1	Binding Assay	Brain membrane preparation and binding assays for the &#963;1-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. Ford-Rice, 1992, Characterization of the binding of [3H](+)pentazocine to a recognition sites in guinea pig brain, Eur. J. Pharmacol. 227, 371-378) with some modifications. Guinea pig brains were homogenized in 10 vols. (w/v) of Tris-HCl 50 mM 0.32 M sucrose, pH 7.4, with a Kinematica Polytron PT 3000 at 15000 r.p.m. for 30 s. The homogenate was centrifuged at 1000 g for 10 min at 4° C. and the supernatants collected and centrifuged again at 48000 g for 15 min at 4° C. The pellet was resuspended in 10 volumes of Tris-HCl buffer (50 mM, pH 7.4), incubated at 37° C. for 30 min, and centrifuged at 48000 g for 20 min at 4° C. Following this, the pellet was re-suspended in fresh Tris-HCl buffer (50 mM, pH 7.4) and stored on ice until use.The radioligand used was [3H]-(+)-pentazocine at 5.0 nM and the final volume was 200 &#956;l. The incubation was initiated with the addition of 100 &#956;l of membrane at a final tissue concentration of approximately 5 mg tissue net weight/mL and the incubation time was 150 m. at 37° C. After incubation, the membranes were collected onto pretreated glass fiber filterplate (MultiScreen-FC, Millipore), with polyethylenimine 0.1%. The filters were washed two times with 200 &#956;l of washing buffer (50 mM Tris Cl, pH=7.4) and then 25 &#956;l of Ecoscint H liquid scintillation cocktail were added. Microplates were allowed to set for several hours and then quantified by liquid scintillation spectrophotometry (1450 Microbeta, Wallac). Nonspecific binding was determined with 1 &#956;M haloperidol.
1331	1	Biochemical Assay	The biochemical assay is in a AlphaScreen format. The kinase reaction is based on the IRAK-4 phosphorylation of a biotin labeled peptide. The phosphopeptide is incubated with anti-phosphothreonine antibody as well as streptavidin- and protein A-coated beads. Binding of the protein-A coated beads to the antibody and the streptavidin beads to the peptide, leads to an energy transfer from one bead to the other, ultimately producing a luminescent/fluorescent signal.Generally, the kinase reaction is carried out at 1 nM IRAK4, 1.6 &#956;M peptide, 10 &#956;M ATP in reaction buffer 50 mM Hepes, 60 mM NaCl, 5 mM MgCl2, 0.25 mM MnCl2, 2 mM DTT, 0.01% BSA, 0.01% Tween-20) for 3.5 h at RT.
1314	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA.
1332	1	Binding Assay	Recombinant ER-&#945; or ER-&#946; ligand binding domain (LBD) was combined with [3H]E2 (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4, 1.5 mM disodium EDTA, 0.25 M sucrose, 10 mM sodium molybdate, 1 mM PMSF) to determine the equilibrium dissociation constant (Kd) of [3H]E2. Protein was incubated with increasing concentrations of [3H]E2 with and without a high concentration of unlabeled E2 at 4° C. for 18h in order to determine total and non-specific binding. Non-specific binding was then subtracted from total binding to determine specific binding. Ligand binding curves were analyzed by nonlinear regression with one site saturation to determine the Kd of E2 (ER-&#945;: 0.65 nM; ER-&#946;: 1.83 nM). In addition, the concentration of [3H]E2 required to saturate ER-&#945; and ER-&#946; LBD was determined to be 1-3 nM.Increasing concentrations of two &#946;-SERMs (14m and 12u) (range: 10&#8722;11 to 10&#8722;6 M) were incubated with [3H]E2 (1-2 nM) and ER LBD using the conditions described above. Following incubation, plates were harvested with GF/B filters on the Unifilter-96 Harvester (PerkinElmer) and washed three times with ice-cold buffer B (50 mM Tris, pH 7.2). The filter plates were dried at room temperature, then Microscint-O cocktail was added to each well and the filter plates were sealed with TopSeal-A. Radioactivity was counted in a TopCount NXT Microplate Scintillation Counter using the settings for [3H] in Microscint cocktail (PerkinElmer).The specific binding of [3H]E2 at each concentration of compound was determined by subtracting the nonspecific binding of [3H]E2 (determined by incubating with 10&#8722;6 M unlabeled E2) and expressing it as a percentage of the specific binding in the absence of compound. The concentration of compound that reduced the specific binding of [3H]E2 by 50% (IC50) was determined by computer-fitting the data with SigmaPlot and non-linear regression with the four parameter logistic curve. The equilibrium binding constant (Ki) of each compound was then calculated by: Ki=Kd×IC50/(Kd+L), where Kd is the equilibrium dissociation constant of [3H]E2, and L is the concentration of [3H]E2.
1333	1	Radioactivity Based Kinase Assay	The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiety (for example, 33P labeled phosphate) into a substrate, for example, a peptide substrate. Reduced levels of radioactively labeled phosphate incorporation into the substrate indicates inhibition of kinase activity. In another embodiment, the kinase activity is measured using a time-resolved-fluorescence resonance energy transfer (TR-FRET) based kinase assay, which measures loss of fluorescence as a result of substrate phosphorylation, for example, a peptide substrate (see for example Invitrogen Z&#39;-Lyte Assay ). Increased levels of fluorescence indicates inhibition of kinase activity. In another embodiment, the kinase activity is measured using a competitive tracer binding assay (for example, Invitrogen Lanthascreen Eu binding assay), which measures fluorescence as a result of tracer binding (for example ATP site binding). Reduced fluorescence indicates displacement of tracer binding, which indicates inhibition of kinase activity. 
1337	1	Receptor Binding Assay	Cell membrane homogenate from Human embryonic kidney HEK-293(T) cells expressing recombinant human prostanoid EP4 receptor was used to perform Prostanoid receptor radioligand binding assays.The competition reaction was initiated by incubation of membrane protein homogenate (20 Mg protein) for 120 min at 22° C. with 0.5 nM [3H]PGE2 ligand in the absence or presence of the test compound in a buffer containing 10 mM MES/KOH (pH 6.0), 10 mM MgCl2 and 1 mM EDTA.Non-specific binding was determined in the presence of 10 &#956;M PGE2 (the corresponding non-radioactive prostanoid). Affinity of the compound binding to hEP4 receptor was measured by displacement of the radiolabeled ligand in the presence of varying doses of tested compound.Incubations were terminated by rapid filtration under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and washed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard).The filters were dried and the residual radioactivity bound to the individual filters determined with addition of scintillation cocktail (Microscint 0, Packard) by a scintillation counter (Topcount, Packard).The results were expressed as a percent inhibition of the control radioligand specific binding.
1338	1	Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 &#956;M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with the four parameter logistic equation.
1343	1	Biological Activity Assay	Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clear bottom tissue culture plate (Matrix Technologies LLC) 125 nL of certain concentration of compound was then added to each well using ECHO liquid handling systems. The cells were incubated for 20 hours in 37° C. incubator with 5% CO2.The compound treatments were stopped by adding Trichloroacetic Acid (Sigma-Aldrich) to a final concentration at 0.2%. The cell plate was further incubated at 50° C. for 30 minute. The equal volume supernatant (20 uL) and 0.2% (w/v) Ehrlich reagent (4-dimethylaminobenzaldehyde, Sigma-Aldrich) in glacial acetic acid were mixed in a new clear bottom 384-well plate. This plate was then incubated at room temperature for 30 minute. The absorbance at 490 nm was measured on Envision plate reader.
1345	1	FLIPR Assay	Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
1346	1	FLIPR Ca2+ Flux Assay	FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° CO2. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. 
1352	1	In Vitro Assay	Antagonism against the adrenoreceptor &#945;1A was tested using a recombinant human &#945;1A receptor CHO cell line which additionally also recombinantly expresses mtAeq (mitochondrial aequorin). Antagonism against the adrenoreceptor &#945;2A was tested using a recombinant human &#945;2A-G&#945;16 receptor fusion protein CHO cell line (PerkinElmer Life Sciences) which additionally also recombinantly expresses mtAeq. Antagonism against the adrenoreceptor &#945;2B was tested using a recombinant human &#945;2B receptor CHO cell line (PerkinElmer Life Sciences) which additionally also recombinantly expresses mtAeq. Antagonism against the adrenoreceptor &#945;2C was tested using a recombinant human &#945;2C receptor CHO cell line which additionally also recombinantly expresses a chimaric G protein (G&#945;qi3) and mtOb (mitochondrial obelin).The cells were cultivated at 37° C. and 5% CO2 in Dulbecco&#39;s modified Eagle&#39;s Medium/NUT mix F12 with L-glutamine which additionally contains 10% (v/v) inactivated foetal calf serum, 1 mM sodium pyruvate, 0.9 mM sodium bicarbonate, 50 U/ml penicillin, 50 &#956;g/ml streptomycin, 2.5 &#956;g/ml amphotericin B and 1 mg/ml Geneticin. The cells were passaged with enzyme-free Hank&#39;s-based cell dissociation buffer. All cell culture reagents used were from Invitrogen (Carlsbad, USA).
1353	1	Binding Assay	To prepare cell membranes with human &#945;1- and &#945;2-adrenergic receptors, CHO cells stably overexpressing &#945;1- and &#945;2-adrenergic receptors are lysed and then subjected to differential centrifugation. After lysis in binding buffer (50 mM tris(hydroxymethyl)aminomethane/1 N hydrochloric acid, 5 mM magnesium chloride, pH 7.4) using an Ultra Turrax (Jahnke & Kunkel, Werk), the homogenate is centrifuged at 1000 g and at 4° C. for 10 min. The resulting sediment is discarded and the supernatant is centrifuged at 20 000 g and at 4° C. for 30 min. The supernatant is discarded and the sediment is resuspended in binding buffer and stored at &#8722;70° C. until the binding test. For the binding test the radioligands 3H-MK-912 (2.2-3.2 TBq/mmol, PerkinElmer) (0.4 nM for &#945;2C-adrRez and 1 nM for &#945;2A-adrRez), 0.25 nM 3H-prazosin (&#945;1AC-adrRez; 2.6-3.3 TBq/mmol, PerkinElmer), 0.25 nM 3H-rauwolscine (&#945;2B-adrRez, 2.6-3.2 TBq/mmol, PerkinElmer) are incubated for 60 minutes with 5-20 &#956;g cell membranes in binding buffer (total test volume 0.2 ml) in the presence of the test substances at 30° C. in 96-well filter plates (FC/B glass fibre, Multiscreen Millipore). The incubating is terminated by aspiration of the unbound radioactivity and the plates are then washed with binding buffer and subsequently dried at 40° C. for 1 hour. Liquid scintillator (Ultima Gold, PerkinElmer) is then added and the radioactivity that remained on the plates is measured in a liquid scintillation counter (Microbeta, Wallac). Non-specific binding is defined as radioactivity in the presence of 1-10 &#956;M WB-4101 (&#945;2C-adrRez and &#945;2A-adrRez), prazosin (&#945;2B-adrRez and &#945;1AC-adrRez) (all from Sigma) and is generally <25% of the bound total radioactivity. 
1354	1	Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate. Biotinylated product is bound streptavidin sepharose beads. All bound, radiolabeled products are detected by scintillation counter.Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 &#956;m hydrophilic PVDF filter plates (Millipore). Concentrations reported here are final assay concentrations: 10-100 &#956;M compounds in DMSO (Burdick and Jackson), 5-10 nM Btk enzyme (His-tagged, full-length), 30 &#956;M peptide substrate (Biotin-Aca-AAAEEIYGEI-NH2), 100 &#956;M ATP (Sigma), 8 mM imidazole (Sigma, pH 7.2), 8 mM glycerol-2-phosphate (Sigma), 200 &#956;M EGTA (Roche Diagnostics), 1 mM MnCl2 (Sigma), 20 mM MgCl2 (Sigma), 0.1 mg/ml BSA (Sigma), 2 mM DTT (Sigma), 1 &#956;Ci 33P ATP (Amersham), 20% streptavidin sepharose beads (Amersham), 50 mM EDTA (Gibco), 2 M NaCl (Gibco), 2 M NaCl w/1% phosphoric acid (Gibco), microscint-20 (Perkin Elmer).IC50 determinations are calculated from 10 data points per compound utilizing data produced from a standard 96-well plate assay template. One control compound and seven unknown inhibitors were tested on each plate and each plate was run twice. Typically, compounds were diluted in half-log starting at 100 &#956;M and ending at 3 nM. The control compound was staurosporine. Background was counted in the absence of peptide substrate. Total activity was determined in the presence of peptide substrate. The following protocol was used to determine Btk inhibition. 
1355	1	Enzyme Assay	The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and chicken erythrocyte oligonucleosome was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). The final concentrations were as follows: wild-type PRC2 enzyme is 4 nM, non-radioactive SAM is 430 nM, 3H-SAM was 120 nM, chicken erythrocyte olignonucleosome was 120 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The assay was stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which diluted the 3H-SAM to a level where its incorporation into the chicken erythrocyte olignonucleosome substrate was no longer detectable. 5 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the chicken erythrocyte nucleosomes were immobilized to the surface of the plate, which was then washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. 
1356	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Biosciences #08-176) (5 pM final concentration total protein) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% Tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 &#956;M final concentration). The final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% Tween 20. The final volume of the quenching solution was 10 &#956;L. The resulting HTRF signal was measured after 30 minutes on a EnVision (Perkin-Elmer) reader using a time-resolved fluorescence protocol.
1357	1	Biochemical activity	Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of which is hereby incorporated by reference as it relates to such assays. For example, the biochemical activity IC50 values are determined with respect to inhibition of B-Raf V600E kinase activity or p-Erk kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested are diluted in dimethyl sulfoxide to a concentration of 0.1 mM. These are serially diluted 15 uL into 30 uL of dimethyl sulfoxide seven times in 96 well plates for a total of 8 dilution points, and for each dilution point 1 uL is added to a well of an assay plate. Plates are prepared such that each well in a 384 well plate contains 1 uL of compound in 10 uL volume with 0.1 ng Raf enzyme (i.e. any of B-Raf, c-Raf-1 or B-Raf V600E, Upstate Biotechnology or prepared by methods known to one of skill in the art), 50 mM HEPES, pH 7.0, 50 mM NaCl, 2 mM MgCl2, 1 mM MnCl2, 0.01% Tween-20, 1 mM DTT, and 100 nM biotin-MEK1 as substrate. The reaction is started with addition of 10 uL of 200 uM ATP (i.e. final 100 uM ATP). After incubation of the kinase reaction for 45 minutes at room temperature, 5 uL/well of Stop Solution is added (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA with donor beads (Streptavidin coated beads, Perkin Elmer), acceptor beads (Protein A coated, Perkin Elmer), and anti phosphor MEK1/2 antibody (CellSignal), each at final concentration 10 ug/mL).
1358	1	Binding Assay	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. #NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. #RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader.
1359	1	Biochemical Assay	The enzymatic activity of hTNKS1 and hTNKS2 is assessed using an enzyme-linked immunosorbent assay (ELISA) which detects poly ADP ribose incorporated into plate-bound Telomeric repeat binding factor 1 (TRF1) protein (NCBI, Accession number NP_059523.2 (SEQ ID NO: 1) in a 384-well format. Using recombinant hTNKS1 (NCBI, Accession number NP_003738.2 (SEQ ID NO: 2) or hTNKS2 (NCBI, Accession number NP_079511.1 (SEQ ID NO: 3) enzyme, this assay uses biotinylated NAD+ and measures its incorporation into recombinant hTRF1 using a streptavidin-horseradish peroxidase (HRP) conjugate and TMB peroxidase substrate to generate a colorimetric signal. Recombinant Flag-tagged hTRF1 protein is generated by expressing full length human TRF1 protein with an N-terminal Flag tag in E. coli. Recombinant Flag-hTNKS1 (with a change of Q83P) protein is generated by expressing full length human TNKS1 with an N-terminal Flag tag in Baculovirus according to the manufacturer&#39;s protocol of Bac-to-Bac Baculovirus Expression system (Invitrogen; See also Invitrogen User Manual, Version F, dated 4 Sep. 2010; and Invitrogen Instruction Manual dated 27 Feb. 2002). The Flag tags on hTRF1 and hTNK1 are used only for purification of the enzymes and are not otherwise involved in the ELISA assay.
1359	3	Enzyme Assay	The Poly ADP-ribose polymerase 1(PARP1) assay is an ELISA which detects poly ADP ribose incorporated into plate-bound histone protein in a 384-well format. Using recombinant hPARP1 enzyme, this assay uses biotinylated NAD+ and measures the incorporation into histone using a streptavidin-horseradish peroxidase (HRP) conjugate and TMB peroxidase substrate to generate a colorimetric signal.Histone is diluted to 0.1 mg/ml in coating buffer (50 mM Na2CO3, pH 9.4, Mallinckrodt, St. Louis, Mo.) and 25 &#956;l is added to each well of a Corning 3700 plate. The plates are incubated overnight at 4° C. The next day the plates are washed 3× with 50 &#956;l/well wash buffer (PBS (prepared from 10× concentrate) with 0.1% Tween-20) followed with blocking for 1.5 hours at room temperature using 50 &#956;l 1% Casein block buffer in 1×PBS (Roche, Indianapolis, Ind. #11666789001). After blocking, the plates are washed 3 times with 50 &#956;l/well wash buffer. The PARP1 enzyme assay is set up by using 0.01 U/&#956;l hPARP1 (Trevigen, Gaithersburg, Md. #4668-500-01), 0.5×PARP cocktail, activated DNA (Trevigen, Gaithersburg, Md. #4671-096-03 and #4671-096-06) and compounds diluted from 10 &#956;M to 4 nM final concentration in Assay buffer containing 50 mM Tris, pH 8.0, 10 mM MgCl2, 1 mM DTT (Invitrogen, Grand Island, N.Y. #15508-013), 0.5% Triton X-100 and 1.0% DMSO. The reaction is incubated for 60 minutes at room temperature and stopped by washing the plate 3 times with 50 &#956;l/well wash buffer. Detection of the biotin-NAD+ incorporation is done using 25 &#956;l/well of Strepavidin-HRP diluted 1:3000 with wash buffer and incubated for 60 minutes at room temperature.
1361	1	Z&#8242;-LYTE Kinase Assay	The inhibition of ERK activity by the compounds disclosed herein was determined using the Z&#8242;-LYTE kinase assay kit (Life Technologies) with a Ser/Thr 3 peptide substrate (Life Technologies) according to manufacturers&#39; instructions. The assay was run with an ERK2 enzyme (Life Technologies) concentration of 0.47 ng/&#956;L at 100 &#956;M ATP (approximately the ATP Km for ERK2). The IC50 values for the compounds were determined with 3-fold serial dilutions in duplicate. The compounds were first diluted in 1:3 dilutions in 100% DMSO at 100× the desired concentration, and then further diluted (1:25) in 20 mM HEPES buffer (Invitrogen) to make 4× solutions prior to adding to the enzyme solution. The final DMSO concentration in the assay was 1%. Final reaction volume was 20 &#956;L/well in 384-well plates. Kinase reactions were conducted or 1 hour followed by the assay development reaction (1 hour) in a 20 ul/well in a 384 well plate format.
1362	1	Receptor Binding Assay	120 &#956;L membrane (5 mg protein/well) was incubated with 15 &#956;L of [125I]-CGP42112A and 15 &#956;L of compound at RT for 1.5 hrs.The binding reaction was stopped by rapid filtration through Unifilter GF/C plates (presoaked in 0.3% (v:v) BSA).Plate was washed three times with ice cold wash buffer.The filtration plates were dried at 37° C. overnight.50 &#956;L of scintillation cocktail was added to each well.Radioactivity was determined using MicroBetaTriluxmicroplate scintillation counter. 
1364	1	Inhibition Assay	The initial screen was designed to look at the effect of potential inhibitors on APE1 repair kinetics. The approach can be used as a high throughput screen by choosing a specific timepoint to monitor. The screen utilizes a molecular beacon with a tetrahydrofuran (THF) abasic site within the stem region of a DNA hairpin that has a fluorophore on the 5&#8242;-terminus and a quencher on the 3&#8242;-terminus (FIG. 2a ). Compounds that had good inhibitory activity in this screen were then retested using a gel based assay to directly measure DNA excision as a function of inhibitor concentration. An example of the molecular beacon screen and the excision assay are shown in FIGS. 2b,c and 2d , respectively.Evidence that Inhibitor Binds Directly to APE1 Evidence that the inhibitors directly bound to APE1 was established using isothermal titration calorimetry (ITC). This method provides thermodynamic information on the binding affinity, stoichiometry and the thermodynamic parameters, i.e., &#916;G, &#916;H and T&#916;S. In addition to the studies on the binding of the inhibitor to APE1, it was also confirmed that the inhibitor did not block enzymatic activity by binding to the DNA.
1365	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
1365	2	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
1366	1	Receptor Binding Assay	 120 &#956;L membrane (5 mg protein/well) was incubated with 15 &#956;L of [125I]-CGP42112A and 15 &#956;L of compound at RT for 1.5 hrs. The binding reaction was stopped by rapid filtration through Unifilter GF/C plates (presoaked in 0.3% (v:v) BSA). Plate was washed three times with ice cold wash buffer. The filtration plates were dried at 37° C. overnight. 50 &#956;L of scintillation cocktail was added to each well. Radioactivity was determined using MicroBetaTriluxmicroplate scintillation counter. 
1367	1	Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International). Measurement of IRAK-4 inhibition is performed in 384-well format based on a luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK4 (0.3 ug/ml) and serial diluted compounds in DMSO (range of concentration from 10 uM to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%, MnCl2 5 mM. The kinase reaction is then initiated by the addition of ATP (2 uM) and the peptidic substrate STK1-biotin peptide (300 nM). After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a plate-reading luminometer (PerkinElmer Envision or equivalent reader).
1367	2	Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK-1 inhibition is performed in 384-well format based on luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK1 (0.3 ug/ml) and serial diluted compounds in DMSO (range of concentration from 10 uM to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%. The kinase reaction is then initiated by the addition of ATP at a concentration of 1 uM. After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a luminometer (PerkinElmer Envision or equivalent reader).
1369	1	In-Vitro Binding Assay	All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 &#956;l per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5 &#956;l per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;l per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 3 nM Eu-labeled anti-His6 antibody, 21 nM streptavidin-allophycocyanin) were added. After 35 minutes incubation at 30° C., plates were measured in a Perkin Elmer EnVision multilabel reader. Concentrations causing 50% inhibition (IC50 values) were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
1369	2	AlphaScreen In-Vitro Binding Assay	In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the CREBBP assay with a similar protocol, however using AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, Perkin Elmer) as detection readout instead of TR-FRET. The assay was started by stepwise addition of 4.5 &#956;l per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 324 nM His-CREBBP(1081-1197) (custom production at Viva Biotech Ltd.)) and 4.5 &#956;l per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 120 nM acetyl-histone H4 (AcK 5, 8, 12) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;l per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 45 &#956;g/ml Ni-chelate acceptor beads, 45 &#956;g/ml streptavidin-donor beads) (Perkin Elmer)) were added. After 60 minutes incubation at room temperature, plates were measured in a Perkin Elmer EnVision multilabel reader. IC50 values were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
1370	1	In vitro assay	The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T790M mutant, Her2, Her4, Fak, FGFR1, FGFR2, FGFR3, FGFR4, Btk, Met, Pim1, Pim2, Pim3, Pyk2, KDR, Src and Ret, and any mutated versions thereof with a Kd which is lower than 50 &#956;M, 25 &#956;M, 10 &#956;M, 5 &#956;M, or 1 &#956;M as measured in an in vitro assay. In some embodiments, the compound of Formula I binds to a kinase selected from the group consisting of Btk, KDR, EGFR, EGFR L858R, EGFR T790M or EGFR L858R/T790M mutant with a Kd which is lower than 50 &#956;M, 25 &#956;M, 10 &#956;M, 5 &#956;M, or 1 &#956;M as measured in an in vitro assay. For example, the compound of Formula I binds to a kinase which is EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, EGFR L858R/T790M mutant with a Kd which is lower than 50 &#956;M, 25 &#956;M, 10 &#956;M, 5 &#956;M, or 1 &#956;M as measured in an in vitro assay.
1371	1	In Vitro Electrophysiology	Electrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as described by (Schroeder K et al. Journal of Biomolecular Screening 2003, 8 (1), 50-64). Buffers for the experiments have the following composition (mM): Internal solution; K-gluconate 100, KCl 40, MgCl2 3.2, HEPES 5, EGTA 3, pH 7.3. To this amphotericin B is added to final concentration of 0.1 mg/ml to generate access solution. External solution; Dulbecco&#39;s Phosphate buffered saline (D-PBS) NaCl 137.93, KCl 2.67, KH2PO4 1.47, Na2HPO4 8.06, CaCl2 0.90, MgCl2 0.49. Prior to the experiment the cells expressing the voltage-gated ion channel of interest are detached from the tissue culture flasks, centrifuged and resuspended in D-PBS. Compounds are prepared and serially diluted in DMSO and finally diluted 1:100 in D-PBS. Cells are exposed to compounds through the pipetting system integrated into the platform and the voltage-gated ion channel of interest is activated with specific voltage stimulation protocols. The following voltage stimulation protocol is used for testing compounds against the voltage-gated sodium channel Nav1.7; from a holding potential of &#8722;100 mV a train of eight 60 ms depolarising steps to &#8722;20 mV at a frequency of 14 Hz are employed followed by a further step to &#8722;20 mV for 2000 ms. After which the voltage is returned to &#8722;100 mV for 10 ms before another voltage step to &#8722;20 mV for 60 ms is applied. The following voltage stimulation protocol is used for testing compounds against the voltage-gated sodium channel Nav1.5; from a holding potential of &#8722;120 mV a train of twenty-six 120 ms depolarising steps to &#8722;20 mV at a frequency of 5 Hz are employed. Recordings are made before and after compound addition with the compound incubation time being 5 minutes. Percent block was calculated for each concentration in duplicate for peak 1 and peak 10 and peak 1 and 25 for Nav 1.7 and Nav 1.5 respectively in order to assess compound activity at close and inactivated states and IC50 curves were fitted to percent block as a function of concentration.
1374	1	Nox1 Assay	CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. Cells were collected from cultures by Trypsin mediated detachment of adherent cells.A luminescence assay was used that measures the production of reactive oxygen species in whole cells. Luminol reacts with superoxide and emits light and light is measured with luminometer (Synergy/2 microplate reader, BioTek).Inhibitors were diluted in a compound plate in DMSO (100%) then transferred to Hanks buffer solution and in assay plate DMSO were 2% in all the wells.Assay procedure, final well volume 100 &#956;l, 96-well plate: Inhibitors (20 &#956;l) were added, then cell suspension was (100 000 cells/well), incubate 37° C. for 30 min, add PMA (0.9 &#956;M/well) to Luminol reaction mix (Luminol 0.1 mM/well and HRP 3.2 U/well) then this stimulation mix into wells. The plate were then immediately read (steps 5 min each reading) and for 1 h. Data was calculated for the linear part of the curve and IC50 determined.Compounds (Nox inhibitors) were diluted at 3× working concentration and titrated from 200 &#956;M to 0.003 &#956;M in 11 steps.
1374	2	Nox2 Assay	Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components were separated by density gradient centrifugation using Ficoll-Paque Plus. Plasma, PBMCs and Ficoll were removed before erythrocytes were removed by dextran sedimentation. Remaining erythrocytes were lyses before neutrophils were washed and counted. Isolated neutrophils were kept on ice resuspended in HBSS without Mg and Ca until assayed.Buffers: The isoluminol buffer contained Isoluminol (0.175 mg/ml) and HRP fraction II (1.75 U/ml). The buffer was prepared by diluting these ingredients at 4× working concentration in HBSS.Procedures: Compounds (Nox inhibitors) were diluted at 4× working concentration and titrated from 100 &#956;M to 0.006 &#956;M in 1:4 steps. PMA was diluted in Isoluminol buffer at 4× working concentration for a final concentration of 30 ng/ml. Compounds had a final DMSO concentration of 1% in the wells; therefore a DMSO control of 1% was included on the plates. 25 &#956;l diluted compound or control/well were added to a white 96-well plate. 25 &#956;l/well of PMA diluted in Isoluminol buffer was added to each well. To non-stimulated control wells only Isoluminol buffer was added. Neutrophils were washed and resuspended at 2×106 cells/ml in HBSS with Mg and Ca just before adding 50 &#956;l of the neutrophil cell suspension/well, which was followed by immediate initiation of luminescence measurement. Luminescence was measured using a FluoStar Optima (BMG Labtech). Graphs were performed using Prism 5 for Mac OS X (Prism 5.0 Software, San Diego Calif. USA). Inhibitors were evaluated at 50% inhibition (IC50) in comparison to cell control without inhibitor present.
1374	3	Nox4 Assay	Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine were supplemented with FBS (10%), penicillin (10 U/ml) streptomycin (100 &#956;g/ml) and neomycin (200 &#956;g/ml) at 37° C. in air with 5% CO2.Hydrogen peroxide produced by Nox4 was measured (fluorescence emission: 590 and excitation: 544) using Amplex red (Molecular Probes) in Fluorescan Ascent plate reader Type 374. Cells were collected from cultures by Trypsin mediated detachment of adherent cells. Cells were seeded in 96-well plates at a density of 50 000 cells in 200 l assay volume. Inhibitors were added for 30 min (37° C.) and then reagents was added to give a final concentration of Amplex Red 35 mM and 0.17 U/ml horseradish peroxidase. Nox4 activity was measured up to 100 min with readings every minute. Inhibition curves of different Nox4 inhibitors were evaluated at 50% inhibition (IC50) in comparison to cell control without inhibitor present. Y-axes: turnover of hydrogen peroxide; x-axes: concentration of inhibitor. Inhibitors were diluted in a compound plate in DMSO (100%) then transferred to Hanks buffer solution and in assay plate DMSO were 2% in all the wells.Compounds (Nox inhibitors) were diluted at 3× working concentration and titrated from 200 &#956;M to 0.003 &#956;M in 11 steps.
1375	1	HEK-URAT1 assay	URAT1 stably expressed HEK293 cells (HEK-URAT1) or HEK293 cells transfected with empty vector (HEK-mock) were cultured in DMEM culture medium supplemented with 10% fetal bovine serum in an incubator under conditions of 5% carbon dioxide at 37° C. Subsequently, 1×105 cells were respectively seeded in 24-well culture plate coated with poly D-lysine and the uptake test was started after the culturing for 3 days.The uptake experiment of uric acid was performed at 37° C. The cells were washed 3 times with a solution pH 7.4 (Hanks buffer solution that does not contain chloride ions, 125 mM sodium gluconate, 4.8 mM potassium gluconate, 1.2 mM KH2PO4, 1.2 mM MgSO4, 1.3 mM calcium gluconate, 25 mM HEPES, 5.6 mM glucose, and 12.4 mM tris) which was warmed to 37° C. for uptake experiment and equilibrated at 37° C. for 10 minutes. After a buffer solution was removed from the cells, 0.5 mL of an uptake solution containing 5 &#956;M [14C] uric acid with or without a test compound was respectively added and the cells were incubated for 2 minutes. The cell uptake was stopped by adding an ice-cold Hanks buffer solution without chloride ions and the cells were washed 3 times. The cells were lysed with 0.1 N sodium hydroxide and the radioactivity was measured using LSC6100 (Aloka Co., Ltd. Tokyo). Each uptake into HEK-URAT1 was acquired by subtracting uptake into HEK-mock cells from the value of HEK-URAT1, converting the result to per mg protein of cells, and setting the value from uptake without the test compound as 100%. The uptake in each condition was performed in triplicate and each value was represented by average±standard deviation.(2) Test Results
1376	1	Biological Activity	Endothelial lipase (EL) and hepatic lipase (HL) activities were measured using a fluorescent substrate, A10070, (Invitrogen, CA) doped into an artificial vesicle containing DMPG (Avanti Polar Lipids) as the excipient. Vesicles were prepared by combining 571 &#956;L of 29 mM DMPG in a 1:1 mixture of MeOH and CHCl3 with 2000 &#956;L of 1 mM A10070 in a 1:1 mixture of MeOH and CHCl3. The mixture was dried under nitrogen in multiple vials then resuspended in 20 mL total volume of 50 mM HEPES pH 8.0 buffer containing 50 mM NaCl and 0.2 mM EDTA. The sample was allowed to sit at room temperature for 15 min and then was sonicated 3×4 mins on ice with a Branson Sonicator using duty cycle 1. This preparation provides vesicles with a mole fraction of 0.11 for the FRET substrate.The enzymatic assay was measured using 384-well white Optiplates. Each well contained 20 &#956;L of assay buffer (50 mM HEPES pH 8.0, 50 mM NaCl and 1 mM CaCl2) and 0.25 &#956;L of a DMSO solution containing a compound of interest. EL or HL (10 &#956;L) was added and allowed to incubate with the compound for 30 min at 37° C. The source of EL was conditioned media obtained from HT-1080 cells that were transformed using RAGE technology (Athersys) to overexpress endogenous EL, and HL was partially purified from conditioned media obtained from COS cells overexpressing HL. The reaction was started by the addition of 10 &#956;L of a 1:10 dilution of vesicles. The final total reaction volume was 20.25 &#956;L. The reaction rates were measured on a Gemini plate reader with an excitation wavelength of 490 nm and an emission wavelength of 530 nm. Readings were taken over a period of 60 minutes, and the slope between 300 and 900 secs of the readout was used to calculate the rate of the reaction.
1378	1	Biological Assay for PI3K alpha	An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 alpha (PIK3CA) kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.An 11-point 3-fold serial dilution of each test compound was prepared in 100% DMSO at 100× final test concentration and subsequently diluted to 1× in the assay (final DMSO concentration=1%). Most Kd&#39;s were determined using a compound top concentration=30,000 nM. If the initial Kd determined was <0.5 nM (the lowest concentration tested), the measurement was repeated with a serial dilution starting at a lower top concentration. A Kd value reported as 40,000 nM indicates that the Kd was determined to be >30,000 nM.Binding constants (Kd&#39;s) were calculated with a standard dose-response curve using the Hill equation: Response=Background+(Signal&#8722;Background)/(1+(Kd Hill Slope/DoseHill Slope)) The Hill Slope was set to &#8722;1. Curves were fitted using a non-linear least square fit with the Levenberg-Marquardt algorithm.
1378	2	Biological Assay for PI3K delta	An in vitro assay which determines the ability of a test compound to inhibit PI3K alpha activity: PI3 delta (PIK3CD) kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.An 11-point 3-fold serial dilution of each test compound was prepared in 100% DMSO at 100× final test concentration and subsequently diluted to 1× in the assay (final DMSO concentration=1%). Most Kd&#39;s were determined using a compound top concentration=30,000 nM. If the initial Kd determined was <0.5 nM (the lowest concentration tested), the measurement was repeated with a serial dilution starting at a lower top concentration. A Kd value reported as 40,000 nM indicates that the Kd was determined to be >30,000 nM.Binding constants (Kd&#39;s) were calculated with a standard dose-response curve using the Hill equation: Response=Background+(Signal&#8722;Background)/(1+(Kd Hill Slope/DoseHill Slope)) The Hill Slope was set to &#8722;1. Curves were fitted using a non-linear least square fit with the Levenberg-Marquardt algorithm.
13154	1	TBD	TBD
13155	1	5-HT2B Agonist Activity Assay	Evaluation of the agonist activity of compounds (I), (Ia), (Ib), (Ic), (Ia-iab), compound (2), compound (9), compound (15), compound (27), A2, A3, and A7 at the human 5-HT2B receptor was performed by Eurofins/Cerep (France) measuring the compound effects on inositol monophosphate (IP1) production using the HTRF detection method. Briefly, the human 5-HT2B receptor was expressed in transfected CHO cells. The cells were suspended in a buffer containing 10 mM Hepes/NaOH (pH 7.4), 4.2 mM KCl, 146 mM NaCl, 1 mM CaCl2, 0.5 mM MgCl2, 5.5 mM glucose and 50 mM LiCl, then distributed in microplates at a density of 4100 cells/well and incubated for 30 minutes at 37° C. in the presence of buffer (basal control), test compound or reference agonist. For stimulated control measurement, separate assay wells contained 1 μM 5-HT. Following incubation, the cells were lysed and the fluorescence acceptor (fluorophen D2-labeled IP1) and fluorescence donor (anti-IP1 antibody labeled with europium cryptate) were added. After 60 minutes at room temperature, the fluorescence transfer was measured at lambda(Ex) 337 nm and lambda(Em) 620 and 665 nm using a microplate reader (Rubystar, BMG). The IP1 concentration was determined by dividing the signal measured at 665 nm by that measured at 620 nm (ratio). The results were expressed as a percent of the control response to 1 μM 5-HT. The standard reference agonist was 5-HT, which was tested in each experiment at several concentrations to generate a concentration-response curve from which its EC50 value is calculated as described above for dopamine functional assays.
13156	1	Inhibition Assay (pH 6)	10 mM compound stock solutions were prepared in DMSO. For IC50 determination compound stocks were serially diluted (1:3) in DMSO.All measurements were performed with an EnSpire Perkin Elmer multimode reader using glutaminyl-7-amino-4-methylcoumarin (H-Gin-AMC) as substrate and recombinant pyroglutamyl aminopeptidase (pGAP) as auxiliary enzyme. Reactions were carried out at ambient temperature in black 96-well half area microplates. Each sample consisted of 1 μl test compound solution or solvent (DMSO) and 49 μl QC appropriately diluted in assay buffer (50 mM Tris/HCl, pH 8.0 or 50 mM MES buffer, pH=6.0). After a 10 min preincubation at ambient temperature the enzyme reaction was started by adding 50 μl of Gln-AMC-substrate/pGAP mixture in assay buffer. Final substrate concentrations were 50 and 200 μM for measurement at pH 8.0 or 6.0, respectively. Release of flourogenic AMC were recorded at excitation/emission wavelengths of 380/460 nm. Initial velocity of the enzyme reaction was calculated by linear regression of the first 10 data points using the Enspire Manager software. Final evaluation and calculation of IC50s were performed using GraphPad Prism software. IC50 values were calculated from normalized data (QC activity without inhibitor=100%) by nonlinear regression according to a 4-parameter logistic equation.Ki-values were calculated according to the following formula: Ki=IC50/(1+[S]/Km), where:[S] reflects to the concentration of substrate in the assay (200 μM for pH 6.0) and Km is the respective Michaelis-Menten constant (390 μM at pH 6.0).
13156	2	Inhibition Assay (pH 8.0)	10 mM compound stock solutions were prepared in DMSO. For IC50 determination compound stocks were serially diluted (1:3) in DMSO.All measurements were performed with an EnSpire Perkin Elmer multimode reader using glutaminyl-7-amino-4-methylcoumarin (H-Gin-AMC) as substrate and recombinant pyroglutamyl aminopeptidase (pGAP) as auxiliary enzyme. Reactions were carried out at ambient temperature in black 96-well half area microplates. Each sample consisted of 1 μl test compound solution or solvent (DMSO) and 49 μl QC appropriately diluted in assay buffer (50 mM Tris/HCl, pH 8.0 or 50 mM MES buffer, pH=6.0). After a 10 min preincubation at ambient temperature the enzyme reaction was started by adding 50 μl of Gln-AMC-substrate/pGAP mixture in assay buffer. Final substrate concentrations were 50 and 200 μM for measurement at pH 8.0 or 6.0, respectively. Release of flourogenic AMC were recorded at excitation/emission wavelengths of 380/460 nm. Initial velocity of the enzyme reaction was calculated by linear regression of the first 10 data points using the Enspire Manager software. Final evaluation and calculation of IC50s were performed using GraphPad Prism software. IC50 values were calculated from normalized data (QC activity without inhibitor=100%) by nonlinear regression according to a 4-parameter logistic equation.Ki-values were calculated according to the following formula: Ki=IC50/(1+[S]/Km), where:[S] reflects to the concentration of substrate in the assay (50 μM for pH 8.0) and Km is the respective Michaelis-Menten constant (62 μM at pH 8.0).
1381	1	IRAK4 Enzymatic DELFIA Assay, Protocol A	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with the human IRAK4 FL (Full Length) construct to characterize IRAK4 inhibitor and control compounds at 600 &#956;M ATP (KM). The final amount of enzyme in the assay is 0.1 nM IRAK4 FL, final concentration of substrate is 50 nM, and final concentration of DMSO is 2.5%.The test compound was solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 4 mM primary compound concentration (40-fold multiple of the final in-assay concentration), and diluted in DMSO in a four-fold series for a total of 11 data points. 1 &#956;L of the compound dilution plate is spotted into ultra-clear polypropylene, 384-well, U-bottom plates (Corning Life Sciences).To begin the assay, 19 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 0.21 nM Full-length phosphorylated recombinant human IRAK4 (GenBank ID AF445802) are aliquoted into the polypropylene, 384-well, U-bottom plates containing 1 &#956;L of test compound, mixed briefly and incubated for 20 minutes at room temperature (RT). Then, 20 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 100 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) is added to start the reaction. The reaction is incubated for 60 minutes at RT and stopped by the addition of 20 &#956;L 0.3M EDTA.50 &#956;L of the reaction mixture was transferred to a streptavidin-coated detection plate (DELFIA streptavidin coated plates, 384-well, white plates, Perkin-Elmer Life Sciences) and incubated for 30 minutes at RT. The plates were washed 4× with 75 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody at 0.125 &#956;g/mL (Cell Signaling Technology), plus Anti-Rabbit IgG EuN1 at 0.25 &#956;g/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were then washed as before. 50 &#956;L per well of DELFIA Enhancement Solution (Perkin-Elmer Life Sciences) was added to the plate and incubated for 15 minutes at RT prior to being read on an Envision Model 2104 multi-label reader using a 340 nm excitation wavelength and a 665 nm emission wavelength for detection.
1381	2	IRAK4 Enzymatic DELFIA Assay, Protocol B	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with inactive, unphosphorylated (0-phos), human IRAK4 FL (Full Length) construct to characterize IRAK4 inhibitor and control compounds at 600 &#956;M ATP (KM). The final amount of enzyme in the assay is 0.1 nM inactive, 0-phos, IRAK4 FL, final concentration of substrate is 50 nM, and final concentration of DMSO is 2.5%.The test compound is solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 4 mM primary compound concentration, serialized in DMSO and spotted (1 &#956;L) into 384-well polypropylene plates as before.To begin the assay, 19 uL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 uM ATP, 0.21 nM inactive, 0-phos, full-length recombinant human IRAK4 (GenBank ID AF445802) were aliquoted into the polypropylene plates containing 1 &#956;L of test compound as before. 20 uL of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 100 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) was added to start the reaction, which was run for 90 minutes at RT and stopped by the addition of 20 &#956;L 0.3M EDTA.50 &#956;L of the reaction mixture was transferred to a streptavidin-coated detection plate (DELFIA streptavidin coated plates, 384-well, white plates, Perkin-Elmer Life Sciences) and incubated for 30 minutes at RT. The plates were washed 4× with 75 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody at 0.125 &#956;g/mL (Cell Signaling Technology), plus Anti-Rabbit IgG EuN1 at 0.25 &#956;g/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were then washed as before. 50 &#956;L per well of DELFIA Enhancement Solution (Perkin-Elmer Life Sciences) was added to the plate and incubated for 15 minutes at RT prior to being read on an Envision Model 2104 multi-label reader using a 340 nm excitation wavelength and a 665 nm emission wavelength for detection.
13157	1	BRD9 bromodomain TR-FRET Competition Binding Assay	His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII KHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSK) was cloned, expressed, purified, and then treated with TEV protease. Cleaved His tag was removed by purification. The binding of a biotinylated small molecule ligand of BRD9 was assessed via the LANCE® TR-FRET platform (PerkinElmer), and the compounds were assayed for inhibitory activity against this interaction.
13157	2	SYO1 BRD9 NanoLuc Degradation Assay	A stable SYO-1 cell line expressing 3×FLAG-NLuc-BRD9 was generated. On day 0 cells were seeded in 30 μL media into each well of 384-well cell culture plates. The seeding density was 8000 cells/well. On day 1, cells were treated with 30 nL DMSO or 30 nL of 3-fold serially DMSO-diluted compounds (10 points in duplicates with 1 μM as final top dose). Subsequently plates were incubated for 6 hours in a standard tissue culture incubator and equilibrated at room temperature for 15 minutes. Nanoluciferase activity was measured by adding 15 μL of freshly prepared Nano-Glo Luciferase Assay Reagent (Promega N1130), shaking the plates for 10 minutes and reading the bioluminescence using an EnVision reader.
1383	1	KHK Assay A	A 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DMSO as 4 mM stocks, diluted using an 11-point half-log scheme on a Biomek FX (Beckman Coulter), and incubated at rt for 30 minutes with the reaction mixture containing 50 mM HEPES, pH 7.4, 140 mM KCl, 3.5 mM MgCl2, 0.8 mM fructose, 2 mM TCEP, 0.8 mM PEP, 0.7 mM NADH, 0.01% Triton X-100, 30 U/mL pyruvate kinase-lactate dehydrogenase, and 10 nM purified KHK-C. The compound concentration in each well ranged from 1 nM to 100 &#956;M. The reaction was initiated with the addition of 0.2 mM ATP. The absorbance was measured for 30 minutes on a SpectraMax reader (Molecular Devices) after ATP was added. The concentrations provided are based on the final mixture volume of 40 &#956;L (referred to as the final concentration).Controls: N8-(cyclopropylmethyl)-N4-(2-(methylthio)phenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine at 2 &#956;M final concentration was used as high percent effect (HPE) control, and 2.5% DMSO which was present in all reaction wells was used as zero percent effect (ZPE) control. Reaction rates were obtained for 300-1800 seconds time window in units of 1000*AU/min (absorbance unit per minute), and average values for ZPE and HPE controls from 16 wells each were calculated, AveZPE and AveHPE, respectively.Percent inhibition (% inhibition) was calculated for each well using this equation:100 - 100 × ( Compound &#8290; &#8290; absorbance &#8290; &#8290; rate &#8290; &#8290; value - Ave HPE ) ( Ave ZPE - Ave HPE )The % inhibition was then plotted against the log of compound concentration using GraphPad Prism, and the data was fit to the equation log [compound] vs. response variable slope using nonlinear regression analysis to give IC50 values. For each compound tested, the IC50 provided is the average based on at least two separate assays conducted on separate days.
1383	2	KHK Assay B	Compounds having an IC50 value less than 20 nM were examined in a second KHK assay, referred to as Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a concentration range of 97 &#956;M to 100 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 1 nM KHK-C. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm. Reaction rates and IC50 values were calculated as described above.
1383	3	KHK Assay C	A third KHK assay, referred to as Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the natural substrates of the KHK enzyme. Assay C was conducted as described above for Assay B except using 8 mM fructose and 2 mM ATP, and compound concentration range of 10 pM to 1 &#956;M or 50 pM to 5 &#956;M using half-log dilution scheme.
1383	4	KHK Assay D	A fourth assay, referred to as Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a final concentration range of 0.25 to 250 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 8 mM fructose and 1 nM KHK-A. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm. Reaction rates and IC50 values were calculated as described above.
1385	1	5-HT1A Receptor Agonism Activity Test	The 5-HT1A receptor agonism activity test (The agonism activity of test compounds on 5-HT1A receptor expressing human recombinant 5-HT1A receptor in HEK293 cells) was performed using LANCE cAMP 384 Kit (Product of USA PerkinElmer Inc.). The 5-HT1A receptor agonism activity of test compounds was evaluated through their inhibition on cAMP production in HEK293 cells. cAMP concentration test was performed according to the method documented in the kit instructions. The concentration of the test compounds was 0.1 nM-10000 nM, 8-OH-DPAT was used as a positive control, EC50 value was calculated by the Excelfit software.
1385	2	D2 Receptor Antagonism Activity Test	The D2 receptor antagonism activity test (The antagonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells) was performed using LANCE cAMP 384 Kit (Product of USA PerkinElmer Inc.). The D2 antagonism activity of test compounds was evaluated through their inhibition on dopamine-induced decrease of cAMP production in HEK293 cells. cAMP concentration test was performed according to the method documented in the kit instructions. The concentration of the test compounds was 0.1 nM-10000 nM, risperidone was used as a positive control, IC50 value was calculated by the Excelfit software
1385	3	5-HT2A Receptor Antagonism Activity Test	The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A receptor in CHO-K1 cells) was performed using FLIPR Calcium 5 Assay Kit (Product of Molecular Devices USA Inc.) according to the method documented in the kit instructions. The concentration of the test compounds was 0.1 nM-10000 nM and risperidone was used as a positive control. Test method is as follows: On the first day the seed cells are placed in T-175 flask containing 25 ml growth medium (F-12 nutrient mixture+10% FBS+1% penicillin/streptomycin+1.2% 50 mg/ml Geneticin) at a density of 14 million per bottle, cells were cultured under 37° C./5% CO2/humidified conditions for 24 hours; On the next day the seed cells were inoculated to the 384-well cell culture plate (each well containing 20,000 cells), the growth medium was replaced by 50 &#956;L detecting medium (F-12 nutrient mixture+1.5% activated carbon-treated FBS), the cells were cultured under 37° C./5% CO2/humidified conditions for 16 hours; On the third day the medium was removed, each well of the cells plates were added with 24 &#956;L freshly prepared loading dye solution (formulated according to the instructions), the plates were placed in an incubator and incubated under 37° C./5% CO2/humidified conditions for 120 minutes; transfer 6 &#956;L test compound solution to the assay plate and gently shaking for one minute, incubated under 37° C./5% CO2/humidified conditions for 30 minutes; each well of the assay plate was added with 10 &#956;L freshly prepared &#945;-methyl-5-hydroxytryptamine solution (1.2 M, the final concentration of &#945;-methyl-5-hydroxytryptamine is 300 nM), data were detected and analyzed by FLIPR (Product of US Molecular Devices Corporation). Inhibition rate of the compounds at different concentrations was calculated, IC50 value was calculated by the Excelfit software
1385	4	D2 Receptor Agonism Activity Test	The D2 receptor agonism activity test (The agonism activity of test compounds on D2 receptor expressing human recombinant D2 receptor in HEK293 cells) was performed using LANCE cAMP 384 Kit (Product of USA PerkinElmer Inc.). The D2 agonism of test compounds was evaluated through their inhibition on cAMP production in HEK293 cells. cAMP concentration test was performed according to the method documented in the kit instructions. The concentration of the test compound is 0.1 nM-10000 nM, dopamine was used as a positive control, EC50 value was calculated by the Excelfit software.
1386	1	Determination of a Possible Activity on hERG	The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to sudden death. In order to establish whether the compounds of the present invention act on hERG, the following experiment was carried out.The in vitro effects of the compounds indicated in Table 5 on the hERG potassium channel current (a surrogate for I&#954;r, the rapidly activating, delayed rectifier cardiac potassium current) expressed in mammalian cells were evaluated at room temperature using the QPatch HT (Sophion Bioscience A/S, Denmark), an automatic parallel patch clamp system. Each compound indicated in Table 5 was evaluated at 0.1, 1, 3, 10 and 30 &#956;M with each concentration tested in a minimum of two cells (n&#8805;2). The duration of exposure to each compound concentration was 3 minutes. A summary of the results is shown in Table 5. The positive control (E4031) confirmed the sensitivity of the test system to hERG inhibition (98.6% of inhibition at 0.5 &#956;M). Generally, compounds displaying an IC50> about 0.5 &#956;M are regarded as not acting on hERG and thus as safe.
1386	2	FLT3 Kinase assay	Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to standard assays at DiscoveRx Corporation). The compounds show strong binding to the main oncogenic mutants of the FLT3 kinase.
1387	1	Determining Endocannabinoid Hydrolase Activity	In the Experimental example, endocannabinoid hydrolases used were Fatty Acid Amide Hydrolase (FAAH) and N-acylethanolamide hydrolyzing acid amidase (NAAA), which were prepared by the method described in the document (PMCID: PMC3423427, PMC3723234, PMC2692831, PMC3382457). The preparation method was as followed: a plasmid (pCDNA3.1/NAAA or pCDNA3.1/FAAH) carrying a whole NAAA/FAAH gene was constructed, wherein the plasmid carried Cytomegalovirus (CMV) promoter and Neomycin selectable gene; the plasmid was transformed into HEK-293 cell via lipid medium, stable cell lines expressing NAAA/FAAH at a high level were obtained by G418 screening and Western-blot method. HEK-293 recombinant cells were cultured and collected, washed with PBS for 2-3 times, and ultrasonically treated in 20 mM Tris-HCl containing 0.32 M sucrose, then repeatedly frozen and thawed twice, and then centrifuged at 4° C., 800 g for 15 min. The supernatant (i.e., the desired protein) was collected, the protein concentration was determined by BCA method, and the protein was diluted to a concentration of 1 mg/mL, and sub-packaged and stored in a refrigerator at &#8722;80° C. for further use.In the Experimental example, PBS solution used was prepared as followed: 8 g NaCl, 0.2 g KCl, 1.44 g Na2HPO4, and 0.24 g KH2PO4 were dissolved in 1 L ultrapure water, and the resultant solution was subjected to moist heat sterilization and stored at 4° C.30 &#956;L (1 mg/mL) endocannabinoid hydrolase was added to a sample vial, and 2 &#956;L DMSO (Blank control group) or a different concentration of a test compound (Compounds 1-46 prepared in the Examples according to the invention) was further added. The reaction was carried out at 37° C. for 10 min. 170 &#956;L buffer (the buffer consisted of 50 mM disodium Hydrogen Phosphate, 0.1% Triton X-100, 3 mM DTT, 150 &#956;L) containing enzymatic hydrolysis substrate (the substrate was a heptadecenoyl ethanolamine containing a double bond and 17 carbon atoms, abbreviated as 17:1 FAE) was further added, wherein the concentration of 17:1 FAE was 5 &#956;M. The reaction was carried out at 37° C. for 30 min, and 200 &#956;L methanol solution containing internal standard (the internal standard was margaric acid, at a concentration of 1 nmol) was then added to stop the reaction. LC-MS was used to determine the yield of the hydrolysate 17:1 FA (i.e., a heptadecenoic acid containing a double bond) of 17:1 FAE, then a graph was plotted with Graphpad Prism 5. Thereby, the IC50 of the test compound on endocannabinoid hydrolase was determined.By the method above, the inhibitory effects of the Compounds 1-46 prepared in the invention on NAAA and FAAH were determined. The results were shown in Table 1, wherein IC50 (NAAA) represents a concentration that inhibits NAAA activity to 50% of the activity prior to inhibition, IC50 (FAAH) represents a concentration that inhibits FAAH activity to 50% of the activity prior to inhibition, and >100 &#956;M represents that IC50 of a compound on a corresponding enzyme is above 100 &#956;M, indicating that the compound has no inhibitory effect on the enzyme.
1388	1	Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 and Human P2X2/3 Receptors	A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelating dye Fluo-4 (Molecular Probes). The excitation and emission wavelengths used to monitor fluorescence were 470-495 nm and 515-575 nm, respectively. Cells expressing purinergic receptors P2X3 (human) or P2X2/3 (human) were plated at a density of 15,000 cells/well in collagen-coated 384-well plates approximately 20 hours before beginning the assay. On the day of the assay, 20 &#956;l of Loading buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, 2 &#956;M Fluo-4, and 5 units/mL, hexokinase, pH=7.4) was added and cells dye-loaded for 90 min at 37° C. The dye supernatant was removed and replaced with 45 &#956;l probenecid buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, pH=7.4). The test compound was added in a volume of 5 &#956;l and allowed to incubate for 30 min at 37° C. The final assay DMSO concentration is 1%. The agonist, &#945;,&#946;-Me-ATP, was added in a volume of 20 &#956;l at a concentration representing the EC80 value. The fluorescence was measured for an interval of 90 sec at 2 sec intervals and analyzed based on the increase in peak relative fluorescence units (RFU) compared to the basal fluorescence. Peak fluorescence was used to determine the response to agonist obtained at each concentration of test compound by the following equation: % Response=100*(RFU(test compound)&#8722;RFU(control)/RFU(DMSO)&#8722;RFU(control)).
1388	2	CYP Inhibition and Pre-Incubation CYP Inhibition Assays	Use of in vitro assays to evaluate the inhibition potential of new drug candidates towards CYP-mediated metabolism has been shown to be effective as part of a strategy to minimise the chances of drug interactions with co-administered drugs. The inhibitory potency of the test compound towards 5 human cytochrome P450 isoforms (CYP1A2, 2C8, 2C9, 2D6, and 3A4) was determined. More preferred examples of the present invention have CYP inhibition IC50&#8805;10 &#956;M.For CYP3A4 time dependent inhibitory potential was also tested by applying a 30 min pre-incubation time of the test compound in metabolically active incubation system. If a time-dependent inhibition of CYP3A4 is observed, this is a hint of an irreversible mechanism-based inhibition of the CYP3A4 activity by the test compound. More preferred examples of the present invention have pre-incubation CYP inhibition IC50&#8805;20 &#956;M.Method Description CYP Inhibition AssayHuman liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1A2, amodiquine for CYP2C8, diclofenac for CYP2C9, dextromethorphan for CYP2D6 and midazolam for CYP3A4) in the absence and presence of increasing concentrations of the test compound in order to compare the extent of formation of the respective metabolite. In addition, a set of incubation in the absence of test compound was used as a negative control. Furthermore, the inhibitory potency of standard inhibitors was included as positive controls (fluvoxamine for CYP1A2, montelukast for CYP2C8, sulfaphenazole for CYP2C9, fluoxetine for CYP2D6, ketoconazole for CYP3A4 and mibefradil for CYP3A4-preincubation). Incubation conditions (protein and probe substrate concentration, incubation time) were optimised with regard to linearity and metabolite turnover. Incubation medium consisted of 50 mM potassium phosphate buffer (pH 7.4) containing 1 mM EDTA, NADPH regenerating system (1 mM NADP, 5 mM glucose 6-phosphate, glucose 6-phosphate dehydrogenase (1.5 U/mL). Sequential dilutions and incubations were performed on a Genesis Workstation (Tecan, Crailsheim, FRG) in 96-well plates at 37° C. A final incubation volume of 200 &#956;L was used. Reactions were stopped by addition of 100 &#956;L acetonitrile containing the respective internal standard. Precipitated proteins were removed by centrifugation of the well plate, supernatants were combined and analyses were performed by LC-MS/MS. The LC-MS/MS quantification of the metabolites paracetamol (CYP1A2), desethylamodiaquine (CYP2C8), 4-hydroxydiclofenac (CYP2C9), dextrorphan (CYP2D6), and 1-hydroxyidazolam (CYP3A4) was performed with a PE SCIEX API 3000 LC/MS/MS system (Applied Biosystems, MDS Sciex, Concord, Ontario, Canada).
1389	1	In Vitro Inhibitory Effect of the Compounds of the Present Invention on the Enzymatic Activity of Blood-Coagulation Factor XIa	The following method was used to test the in vitro inhibitory effect of the compounds of the present invention on the activity of human blood-coagulation factor XIa, expressed by the Inhibition constant Ki.Solution preparation: reaction buffer: 0.03M HEPES acid, 0.145M NaCl, 0.005 M KCl, 0.1% PEG-8000, pH=7.5;HEPES 8.499 g, NaCl 8.47 g, KCl 0.3725, PEG 8000 1 g, plus ddH2O 800 ml; the pH was adjusted to 7.4 with HCl, and the volume was metered to 1 L.S2366 substrate stock solution (2 mM): a volume of substrate (25 ml) was dissolved in 23 ml sterile deionized water, aliquoted, and stored at 4° C. in darkness.S2366 substrate working solution: the stock solution was diluted by 4 folds with the reaction buffer before use.FXIa working solution: 1 &#956;l FXIa stock solution was added to 10 ml reaction buffer and thoroughly mixed before use.Method: 15 &#956;l test sample working solution (15 &#956;l DMSO for the control group) and 75 &#956;l FXIa working solution were added to a 96-well plate, and incubated at room temperature for 15 min. Then 60 &#956;l S2366 substrate working solution was added to initiate the reaction. The absorbance at 405 nm for the test compounds was continually assayed once every 3 minutes, and a &#916;A-time curve was plotted to calculate the slope as the reaction rate. In accordance with the following equation, IC50 of each test sample when the substrate concentration was 200 &#956;M was calculated with spss 16.0. Inhibition (I %) and Ki of the test samples were calculated in accordance with the follow equations, and the results are shown in Table 1. I %=(V0&#8722;Vi)/V0×100 where V0 is the reaction rate in the control wells, and Vi is the reaction rate in the test sample wells; IC50=Ki(1+[S]/Km) where Km=0.2 mM, and [S] is the substrate concentration=200 &#956;M.
1390	1	HT Universal Chemiluminescent PARP Assay Kit	HT Universal Chemiluminescent PARP Assay Kit with Histone-coated Strip Wells, commercially available from Trevigen (US), Catalog #: 4676-096-K.
1391	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent resonance energy transfer binding assay (1), that measures the binding of a fluorescently labeled probe molecule to the bromodomain protein. The bromodomain protein, fluorescent probe molecule (either a biotinylated histone peptide or a fluorescently labeled small molecule), and dose-responsed test compound are incubated together to reach thermodynamic equilibrium. In the absence of a test compound, the bromodomain and small molecule are bound, resulting in a high fluorescent signal. In the presence of a sufficient concentration of inhibitor, this interaction is disrupted resulting in a lost of fluorescent resonance energy transfer.All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responsed test compound or dmso vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis. All data was normalized to 16 high vehicle wells and 8 low reference control wells, and then a four parameter curve fit was applied:Y=a+((b&#8722;a)/(1+(10x/10c)d)Where &#39;a&#39; is the minimum, &#39;b&#39; is the Hill slope, &#39;c&#39; is the IC50, and &#39;d&#39; is the maximum.
13158	1	Bromodomain Assay	T7 phage strains displaying bromodomains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 min). The lysates were centrifuged (5,000×g) and filtered (0.2 μm) to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated small molecule or acetylated peptide ligands for 30 min at RT to generate affinity resins for bromodomain assays. The ligated beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions were assembled by combining bromodomains, ligated affinity beads, and test compounds in 1× binding buffer (16% SeaBlock, 0.32×PBS, 0.02% BSA, 0.04% Tween 20, 0.004% Sodium azide, 7.9 mM DTT). Test compounds were prepared as 1000× stocks in 100% DMSO and subsequently diluted 1:25 in MEG. The compounds were then diluted directly into the assays such that the final concentrations of DMSO and MEG were 0.1% and 2.4%, respectively. All reactions were performed in polypropylene 384-well plates in a final volume of 0.02 ml. The assay plates were incubated at RT with shaking for 1 hr and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 2 μM non-biotinylated affinity ligand) and incubated at RT with shaking for 30 min. The bromodomain concentration in the eluates was measured by quantitative polymerase chain reaction (qPCR).An 11-point 3-fold serial dilution of each test compound was prepared in 100% DMSO at 1000× final test concentration. All compounds were distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.09%. Most dissociation constants were determined using a compound top concentration=10,000 nM. If the initial dissociation constant determined was <0.169 nM (the lowest concentration tested), the measurement was repeated with a serial dilution starting at a lower top concentration.
13159	1	Biochemical Evaluation	The BTK/BTK (C481S) inhibitory activity of compound of formula A was determined in Reaction Biology Corporation, One Great Valley Parkway, Malvern, PA, USA. Full-length human BTK/BTK (C481S) enzyme and 20 μM peptide substrate [KVEKIGEGTYGVVYK] were used. The concentration of tested ATP was 10 μM. Starsporin was used as standard, of which IC50 was 3.94 nM.
13160	1	In Vitro Assay of Acetyl-CoA Carboxylase (ACC) Inhibition	An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of the compounds of the invention toward either ACC1 or ACC2, is as follows. The ADP-Glo™ kinase assay kit from Promega was used. The ADP-Glo™ kinase assay is a luminescent ADP detection assay to measure enzymatic activity by quantifying the amount of ADP produced during an enzyme reaction. The assay was performed in two steps; first, after the enzyme reaction, an equal volume of ADP-Glo™ reagent was added to terminate the reaction and deplete the remaining ATP. Then, the kinase detection reagent was added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. Luminescence can be correlated to ADP concentrations by using an ATP-to-ADP conversion curve. The detailed procedure was as follows. 4.5 μL of a working solution was added to a 384-well plate. The compound was diluted at 1:3 in succession in DMSO. 0.5 μL of diluted compound solution was added to a 384-well white Optiplate assay plate. The plates were incubated at room temperature for 15 minutes. 5 μL of substrate working solution was added to each well to initiate the reaction. A final ACC reaction solution consisted of: 0.5 nM ACC, 10 μM ATP, 5 μM acetyl-CoA, and 15 mM NaHCO3; and the final concentrations of the compound were measured as follows: 1 μM, 0.333 μM, 0.111 μM, 0.037 μM, 0.0123 μM, 0.00411 μM, 0.00137 μM, 0.000457 μM, 0.000152 μM, and 0.000051 μM. The plates were incubated at room temperature for 30 minutes. 10 μL of ADP-Glo™ reagent was added, and the plates were incubated at room temperature for 40 minutes. 20 μL of kinase detection reagent was added. The plates were incubated at room temperature for 40 minutes, then read on a Perkin Elmer EnVision 2104 plate reader for luminescence in relative light unit (RLU).
13161	1	TBD	TBD
13161	2	TBD	TBD
13162	1	Estrogen Receptor Degradation Activity	MCF7 cells (ATCC) were seeded in 384 wells microplate (collagen coated) at a concentration of 10000 cells/30 μL per well in red phenol free MEM alpha medium (invitrogen) containing 5% charcoal dextran striped FBS. The following day, 9 points serial 1:5 dilution of each compound was added to the cells in 2.5 μL at final concentrations ranging from 0.3-0.0000018 μM (in table 2), or 0.1 μM for fulvestrant (using as positive control). At 4 hours post compound addition the cells were fixed by adding 25 μL of formalin (final concentration 5% formalin containing 0.1% triton) for 10 minutes at room temperature and then washed twice with PBS. Then, 50 μL of LI-COR blocking buffer containing 0.1% Triton was added to plate for 30 minutes at room temperature. LI-COR blocking buffer was removed and cells were incubated overnight at cold room with 50 μL anti-ER rabbit monoclonal antibody (Thermo scientific MA1-39540) diluted at 1:1000 in LI-COR blocking buffer containing 0.1% tween-20. Wells which were treated with blocking buffer but no antibody were used as background control. Wells were washed twice with PBS (0.1% tween-20) and incubated at 37° C. for 60 minutes in LI-COR (0.1% tween-20) containing goat anti-rabbit antibody Alexa 488 (1:1000) and Syto-64 a DNA dye (2 μM final concentration). Cells were then washed 3 times in PBS and scanned in ACUMEN explorer (TTP-Labtech). Integrated intensities in the green fluorescence and red fluorescence were measured to determine the levels of ERα and DNA respectively.
1393	1	RET Enzyme Assay	Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Cat. No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Cat. No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Cat. No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TKOPEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1394	1	RET Enzyme Assay	Compounds of General Formula I were screened for their ability to inhibit wild type and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Cat. No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Cat. No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Cat. No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
1395	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). Compounds having an IC50 of 1 &#956;M or less were considered active.
1400	1	In Vitro Enzyme PI3K Assay	The Kinase-Glo luminescent kinase assay kit (from Promega) was used to measure kinase activity. In this assay, amount of ATP remaining in solution following a kinase reaction is measured. The effect of compounds on PI3K&#948; inhibition was carried out by adding 2.29 &#956;g/ml of recombinant PI3K &#948; enzyme (Proteros, Germany) to reaction mixture containing assay buffer (50 mM HEPES, pH 7.4, 50 mM NaCl, 0.05% CHAPS) supplemented with 10 mM MgCl2, 5 mM DTT, 60 &#956;M Phosphatidyl inositol bisphosphate (PIP2) and 10 &#956;M ATP in the absence or presence of different concentrations of the compounds in a final volume of 15 &#956;l/well, in a 384 well plate. The reaction mixture was incubated for 2 hours at room temperature. At the end of incubation period the equal volume of Kinase-Glo plus (Promega, V3772), was added per well and the luminescence was measured after incubating for 10 minutes at room temperature in dark. Results were calculated by measuring the luminescence units of test samples to blanks containing no enzyme.In certain embodiments, the compounds showed IC50 of less than 1000 nM, in another embodiment, the IC50 values range from about 100 nM to 500 nM, and in yet another embodiment, it is even less than 30 nM for PI3K&#948; as shown in Table 3 and 4.The compounds of the present invention were tested for their selectivity for PI3K&#948; over PI3K&#945;, PI3K&#946; and PI3K&#947; following the above assay using specific recombinant enzymes (Proteros, Germany) for each kinase. Assay condition of kinase assay (PI3K&#945;, PI3K&#946;, PI3K&#947; and PI3K&#948;) was as follows. Enzyme: 2.29 &#956;g/mL; ATP: 10 &#956;M; PIP2 substrate: 60 &#956;M and Reaction Time: 2 hours.
1402	1	Lab B PDE2 assay	Performed by Lab B. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein.In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat#NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations).
1402	2	Lab A PDE2 assay	Performed by Lab A. The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein.In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat#NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations).
1406	1	Nedd8 Conjugation Inhibitory Activity	A purified NAE (heterodimer of APPBP1 and UBA3) solution was prepared in the following manner. The human APPBP1 gene (NCBI Reference Sequence number: NM_003905) region corresponding to amino acids 1 to 534 of human APPBP1 protein (NCBI Reference Sequence number: NP_003896, full length: 534 amino acids) was inserted in pBacPAK9 (produced by Clontech) to construct a plasmid pBacPAK9-APPBP1 for expressing APPBP1 full-length protein having a His tag and a TEV protease-recognition sequence at the N-terminus. Next, the human UBA3 gene (NCBI Reference Sequence number: NM_003968) region corresponding to amino acids 1 to 463 of human UBA3 protein (NCBI Reference Sequence number: NP_003959, full length: 463 amino acids) was inserted in pBacPAK9 to construct a plasmid pBacPAK9-UBA3 for expressing UBA3 full-length protein. The pBacPAK9-APPBP1 or pBacPAK9-UBA3, and BacPAK6 DNA were cotransfected into insect cells (Sf9, produced by Clontech) to produce a recombinant baculovirus containing APPBP1 or UBA3 gene. The APPBP1 gene recombinant baculovirus was mixed with the UBA3 gene recombinant baculovirus, and the resulting mixture was used to infect Sf9 cells. The baculovirus-infected Sf9 cells were incubated at 28° C. with shaking for 72 hours in Grace&#39;s Insect Medium (produced by Gibco), and the collected cells were suspended in a lysis buffer (50 mM Tris-HCl, 200 mM NaCl, and 10% glycerol (pH 7.4)), followed by sonication. The sonicated cell solution was centrifuged (40,000×g, for 30 minutes) to obtain the supernatant as a crude extract. The crude extract was fractionated on a HisTrap HP column (produced by GE Healthcare) and a TALON Superflow column (produced by Clontech), followed by the addition of a TEV protease. Then, a His-tag cleavage reaction was performed at 4° C. overnight. The resulting solution was subjected to TALON Superflow column chromatography, and the unadsorbed fraction was collected. This fraction was applied to a HiLoad 16/60 Superdex 75 prep grade column equilibrated with 50 mM Tris-HCl, 200 mM NaCl, and 10% glycerol (pH 7.4), and fractionated. A fraction containing an APPBP1/UBA3 complex was concentrated to obtain a purified NAE solution. The purification above was performed entirely at 4° C. The purified NAE solution was stored at &#8722;80° C. until use.A purified GST-UBC12 solution was prepared in the following manner. The human UBC12 gene (NCBI Reference Sequence number: NM_003969) region corresponding to amino acids 1 to 183 of human UBC12 protein (NCBI Reference Sequence number: NP_003960, full length: 183 amino acids) was inserted in pGEX-4T-2 (produced by GE Healthcare) to construct a plasmid pGEX-UBC12 for expressing UBC12 full-length protein having a GST tag at the N-terminus. The pGEX-UBC12 was introduced into Escherichia coli (BL21 (DE3), produced by Stratagene), followed by culture at 37° C. for 2 hours in the presence of 1 mM isopropyl-beta-D-thiogalactopyranoside (produced by Sigma-Aldrich). The collected Escherichia coli was suspended in PBS, followed by sonication. The sonicated cell solution was centrifuged (40,000×g, for 5 minutes) to obtain the supernatant as a crude extract. A Glutathione Sepharose 4B carrier (produced by GE Healthcare) was added to the crude extract, and eluted with 50 mM Tris-HCl (pH 7.9), 150 mM NaCl, and a 10 mM reduced glutathione solution, followed by dialysis with 50 mM HEPES (pH 7.5) and a 0.05% BSA solution to obtain a purified GST-UBC12 solution. The purified GST-UBC12 solution was divided and stored at &#8722;80° C. until use.The Nedd8 conjugation inhibitory activity was measured using an AlphaScreen assay system. Each of the purified NAE solution and GST-UBC12 solution was diluted with an assay buffer (50 mM HEPES (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.05% BSA) and added to a 384-well plate (#3673, produced by Corning) containing the test compound. After reaction at room temperature for 30 minutes, a solution obtained by diluting ATP and Biotin-Nedd8
1406	2	Carbonic Anhydrase II Enzyme Activity Inhibition	The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrophenyl acetate (4-NPA) (produced by Sigma-Aldrich). A purified carbonic anhydrase II solution (C6624, produced by Sigma-Aldrich) was diluted with an assay buffer (50 mM Tris-HCl (pH 7.5)) to 100 nM, and 50 &#956;L of the resulting solution was added to a 96-well plate (3695, produced by Costar) containing 40 &#956;L of the test substance. After reaction at room temperature for 10 minutes, 10 &#956;L of a 50 mM 4-NPA solution was added to each well, followed by incubation for 30 minutes at room temperature. The 50 mM 4-NPA solution was prepared by 10-fold dilution of a 500 mM 4-NPA solution, which was prepared at the time of use by dissolving the reaction product in DMSO, with the assay buffer. The absorbance at 405 nm was measured using a microplate reader (SpectraMax 250, produced by Molecular Devices) The activity level of the enzymatic hydrolysis reaction of ester was calculated using the following equation (equation C) by subtracting the absorbance in the well to which carbonic anhydrase II was not added. 
1407	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1408	1	Human DGAT1LE Assay	For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute pre-reaction incubation of 5 uL of 2.2× enzyme and 1 uL of 100% DMSO containing test compound or control compound, {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid. Some assays were performed with inclusion of didecanoylglycerol in the pre-reaction incubation of test compounds and enzyme. Reactions were initiated after 30 minute pre-reaction incubation via addition of 5 uL of 2.2× substrate. Final reaction conditions consisted of 50 mM HEPES pH 7.5, 2 mM MgCl2, 1 mM CHAPS, 25 uM didecanoylglycerol, 0.5 uM decanoyl-CoA, 0.3 nCi/uL [14C]-decanoyl-CoA or 0.5 nCi/uL [3H]-decanoyl-CoA, 0.05-4 ug/mL microsomal protein, and 1% DMSO. Following 60 minute reaction incubation, reactions were stopped with 40 uL of 45% isopropanol and 50 mM sodium carbonate in water and mixed. Extraction of tridecanoylglycerol product was accomplished via addition of 30 uL Microscint-E (Perkin Elmer) and 2 hours of incubation (sealed). Plates were read on a Microbeta Microplate reader. Inhibition was normalized to controls containing DMSO or 10 uM {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid. IC50s were fitted using GraphPad Prism to a sigmoidal dose response.
1409	1	Mutant IDH1 R132H Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/mL Luciferase, 0.02 U/mL Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/mL decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
1410	1	Binding Assay to Sigma Receptors	The &#963; binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapathy, V. Molecular and ligand-binding characterization of the sigma-receptor in the Jurkat human T lymphocyte cell line. J. Pharmacol. Exp. Ther. 1999, 289, 251-260). The &#963;1 binding assay was carried out by incubating Jurkat cell membranes (10-20 mg protein per tube) with [3H](+)-pentazocine (15 nM) and a range of concentrations of tested compounds, at 37° C. for 2 hours, in 5 mM Tris/HCl buffer (pH=7.4). The &#963;2 binding assay was performed by incubating Jurkat cell membranes (10-20 mg protein per tube) with [3H]-DTG (25 nM) in presence of (+)-pentazocine (1 &#956;M) to saturate &#963;1 receptors, and a range of concentrations of tested compounds, at room temperature for 1 hour in 5 mM Tris/HCl buffer (pH=7.4). The final assay volume was 0.5 mL. Binding was terminated by rapid filtration through Wathman GF/B filters, which were then washed with 5×1 mL ice-cold NaCl solution and allowed to dry before bound radioactivity was measured using liquid scintillation counting. Nonspecific binding was determined, in both assays, under similar conditions, but in presence of 10 &#956;M unlabeled haloperidol. Inhibition constants (Ki) were calculated from the IC50 values according to the method of Cheng and Prusoff (Cheng, Y.; Prusoff, W. H. Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50 percent inhibition (IC50) of an enzymatic reaction. Biochem Pharmacol. 1973, 22 (23), 3099-108):K i = IC 50 1 + L K dWhere IC50=Inhibitory concentration at 50% L=Concentration of radioligand Kd=Affinity constant of radioligandThe &#963;1 binding assay was carried out with [3H](+)-pentazocine (L=15 nM, Kd=16 nM) as radioligand and the a binding assay with [3H]-DTG (L=25 nM, Kd=80.84 nM).
1411	1	Jarid1A Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH 7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono-or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at rt for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1411	2	Jarid1B Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384 well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono-or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at rt for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1411	3	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1412	1	SMYD3 biochemical assay	The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a 384-well white opaque OptiPlate using a Bravo automated liquid handling platform outfitted with a 384-channel head (Agilent Technologies). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD3, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD3 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD3 for 30 min at room temperature, then a cocktail (10 ul) containing SAM and MEKK2 was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD3 was 0.4 nM, 3H-SAM was 8 nM, MEKK2 was 12 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 100 uM, which dilutes the 3H-SAM to a level where its incorporation into MEKK2 is no longer detectable. Radiolabeled MEKK2 was detected using a scintillation proximity assay (SPA). 10 uL of a 10 mg/mL solution of SPA beads in 0.5 M citric acid was added and the plates centrifuged at 600 rpm for 1 min to precipitate the radiolabeled MEKK2 onto the SPA beads. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled MEKK2 as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
1413	1	In Vitro Functional Activity (Agonism) on Human S1P5 Receptors	The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA clone and CHO AequoScreen&#153; recombinant cell-line, catalog no: ES-593-A, September 2006). Human-S1P5-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P5 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
1413	2	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A)	The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone and CHO-K1 AequoScreen recombinant cell-line, catalog no: FAST-0197L, February 2010). Human-S1P1-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P1 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 2 independent experiments were performed in single point&#39;s measurements.
1413	3	In Vitro Functional Activity (Agonism) on Human S1P3 Receptors	The CHO-human-S1P3-Aeqorin assay (CHO/G&#945;16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (accession number in GenBank NM_005226 was purchased from UMR cDNA resource Centre (Rolla, Mo.). The pcDNA3.1/hS1P3 construct carrying the mitochondrially targeted apo-Aeqorin and Gal6 protein was transfected in CHO K1 cell-line.Human-S1P3-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P3 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
1413	4	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method B)	The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-0197C, December 2009).Recombinant CHO-K1 cells expressing human S1P1, grown to mid-log Phase in culture media without antibiotics, detached, centrifuged and re-suspended. For agonist testing cells are mixed with compound and Forskolin and incubated at room temperature. Cells are lyses and cAMP concentration are estimated, according to the manufacturer specification, With the HTRF kit from CIS-BIO International (cat no 62AM2PEB).Agonistic effects of compounds are expressed as a percentage of the activity of the reference compound at its EC100 concentration, EC50 is calculated and results are reported as pEC50. Compounds were tested at a 10 points half log concentration range duplicated in 1 experiment.
1415	1	IC50 Measurements for Inhibitors Using BRD4 AlphaLisa Binding Assay	His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-1/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD4(BD1) (30 nM final) was combined with peptide (200 nM final) in 40 mM HEPES (pH 7.0), 40 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 1.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature Alpha streptavidin donor beads and AlphaLisa anti-Flag acceptor beads were added to a final concentration of 10 ug/mL each. After three hours equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1415	2	IC50 measurements for inhibitors using BRD9 AlphaLisa Binding Assay	His/Flag epitope tagged BRD9134-239 was cloned, expressed, and purified to homogeneity. BRD9 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-11/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD9 (50 nM final) was combined with peptide (3 nM final) in 50 mM HEPES (pH 7.5), 150 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.8% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature AlphaLisa Streptavidin Acceptor Beads (Perkin-AL125C) and AlphaLisa Nickel donor beads (Perkin AS 10 ID) were added to a final concentration of 15 ug/mL each. After ninety minutes of equilibration in the dark, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1415	3	IC50 Measurements for Inhibitors Using CECR2 TR-FRET Binding Assay	His/Flag epitope tagged CECR2424-538 was cloned, expressed, and purified to homogeneity. CECR2 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1001 (Example 125) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CECR2 (1.5 nM final) was combined with biotin-ligand (25 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 15 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 12.5 nMolar APC-SA, respectively. After forty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit. Novel compound 1001 and the CECR2 TR-FRET Binding Assay described above represent additional embodiments of the invention.
1415	4	IC50 Measurements for Inhibitors Using TAF1-BD2 TR-FRET Binding Assay	His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1000 (Example 124) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate TAF1-BD2 (6 nM final) was combined with biotin-ligand (50 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 25 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit. Novel compound 1000 and the TAF1-BD2 TR-FRET Binding Assay described above represent additional embodiments of the invention.
1416	1	sGC-HEK-cGMP Assay	Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds. Compounds stimulating the sGC enzyme should cause an increase in the intracellular concentration of cGMP. HEK 293 cells were seeded in Dulbecco&#39;s Modification of Eagle&#39;s Medium supplemented with fetal bovine serum (10% final) and penicillin (100 U/mL)/streptomycin (100 &#956;g/mL) in a 50 &#956;L volume at a density of 1.5×104 cells/well in a poly-D-lysine coated 384 well flat bottom plate. Cells were incubated overnight at 37° C. in a humidified chamber with 5% CO2. Medium was aspirated and cells were washed with 1× Hank&#39;s Buffered Saline Salt Solution (50 &#956;L). Cells were then incubated for 15 minutes at 37° C. with 50 &#956;L of a 0.5 mM 3-isobutyl-1-methylxanthine (IBMX) solution. Test article and Diethylenetriamine NONOate (DETA-NONOate) solutions (x &#956;M concentration for test article solution and 10 &#956;M concentration for DETA-NONOate solution; wherein x is one of the following concentrations: 0.029 nM to 30000 nM). were then added to the assay mixture and the resulting mixture incubated at 37° C. for 20 minutes. After the 20 minute incubation, the assay mixture was aspirated and 10% acetic acid containing 150 ng/mL+3-cGMP (internal standard for LCMS) (50 &#956;L) was added to the cells. The plate was incubated at 4° C. for 30 minutes in the acetic acid solution to stop the reaction and lyse the cells. The plates were then centrifuged at 1,000 g for 3 minutes at 4° C. and the supernatant transferred to a clean reaction plate for LCMS analysis.cGMP concentrations were determined from each sample using the LCMS conditions below (Table 5) and calculated standard curve. The standard curve was prepared in 10% acetic acid with 150 ng/mL+3cGMP (isotopically labelled cGMP with a weight 3 units higher than wild type) with the following final concentrations of cGMP in ng/mL: 1, 5, 10, 50, 100, 250, 500, 1000, 2000.
1418	1	ATX Assay	Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained from Invitrogen Life Technologies (Paisley, UK) and dissolved in DMSO to 10 mM. Choline oxidase and horseradish peroxidase (HRP) were obtained from Sigma Aldrich (Dorset, UK) and dissolved in HBSS to 20 U/ml and 200 U/ml respectively. All reagents were stored at &#8722;20° C. in single use aliquots. All experimental measurements were performed in assay buffer made up immediately prior to use (HBSS, 0.01% BSA essentially fatty acid free).Protein Recombinant human ATX was prepared at Novartis (Basel, CH) in a human embryonic kidney (HEK) cell preparation, and stored in single use aliquots of 26 mg/ml (26 &#956;M) stocks stored at &#8722;80° C.Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVision (Fluorescence Intensity/Absorbance Monochromator) or Tecan Infinite 200 PRO series plate reader was used to detect change in fluorescent intensity.Assessing ATX inhibition ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention were prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;em 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. ATX activity was measured as a slope of the linear portion of the progress curve, typically between 14 to 24 minutes.Data analysis Slope data was exported to Graphpad prism (Graphpad software, San Diego, Calif.)
1419	1	h-SERT Binding Assay	The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In specific, a solution of 200 &#956;L in total was prepared by mixing 50 &#956;L of [3H] citalopram (manufactured by GE Healthcare) diluted with a SERT buffer (final concentration: about 2 nmol/L), 149 &#956;L of the h-SERT/CHO membrane preparation (protein amount: 40 &#956;g/well), and 1 &#956;L of the test drug dissolved in dimethylsulfoxide. The solution was reacted at room temperature for 60 minutes, and then quickly suction-filtered under reduced pressure through a glass fiber filter coated with 0.05% aq. polyethyleneimine. The glass fiber filter was washed twice with 250 HL of the SERT buffer, placed in a plastic vial containing 4 mL of liquid scintillator (ACS-II, manufactured by Amersham) or Ecoscint A (manufactured by National Diagnostics), and the remaining radioactivity on the filter paper was assayed with a liquid scintillation counter. The non-specific binding of [3H] citalopram was defined as a binding amount in the presence of 1 &#956;mol/L clomipramine (manufactured by Sigma Aldrich) The IC50 value was calculated according to Hill analysis [see, Hill A. V., J. Physiol., 40, 190-200 (1910)], and the binding inhibition constant (Ki) was calculated according to the following formula: Binding inhibition constant (Ki)=IC50/(1+S/Kd) wherein S is a concentration of the added [3H] citalopram, and Kd is a binding dissociation constant of [3H] citalopram which was calculated from a saturated binding assay using the same cell membrane. A lower Ki value (i.e. a lower h-SERT binding inhibition constant) means that the test drug has a stronger human serotonin reuptake inhibitory action.
1419	2	5-HT2C Receptor Binding Assay	A solution of 200 &#956;L in total was prepared by mixing 50 &#956;L of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (final concentration: about 2 nmol/L), 149 &#956;L of the h-5-HT2C/CHO membrane preparation (protein amount: 20 &#956;g/well), and 1 &#956;L of the test drug dissolved in dimethylsulfoxide. The solution was reacted at 37° C. for 30 minutes, and then quickly suction-filtered under reduced pressure through a glass fiber filter coated with 1% aq. bovine serum albumin. The glass fiber filter was washed twice with 250 &#956;L of 50 mmol/L Tris-HCl (pH=7.4), placed in a plastic vial containing 4 mL of liquid scintillator (ACS-II, manufactured by Amersham) or Ecoscint A (manufactured by National Diagnostics), and the remaining radioactivity on the filter paper was assayed with a liquid scintillation counter. The non-specific binding of [3H] mesulergine was defined as a binding amount in the presence of 10 &#956;mol/L SB206553 (manufactured by Sigma Aldrich). The IC50 value was calculated according to Hill analysis, and the binding inhibition constant (Ki) was calculated according to the following formula: Binding inhibition constant (Ki)=IC50/(1+S/Kd) wherein S is a concentration of the added [3H] mesulergine, and Kd is a binding dissociation constant of [3H] mesulergine which was calculated from a saturated binding assay using the same cell membrane. A lower Ki value (i.e. a lower 5-HT2C binding inhibition constant) means that the test drug has a higher affinity for human serotonin reuptake inhibitory action.
1420	1	TR-FRET Farnesoid X Receptor Coactivator Assay	Purchasing invitrogen PV4833 kits.First, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3000 &#956;M. The solution at the maximum concentration was diluted by 3-fold serial dilution in DMSO to get 10 concentrations;Second, the above prepared solutions of different concentrations were diluted to 100-fold with a buffer supplied with the kit, followed by mixing and then 10 &#956;L of the diluted solution was added to a 384 well plate;Third, nuclear receptor FXR recombinant protein was diluted with a buffer to give a concentration of 4×, and 5 &#956;L of the diluent was added to the 384 well plate of second step;Fourth, Fluorescein-SRC2-2 and Tb anti-GST antibody were diluted with a buffer to give a concentration of 4× respectively. Then two reagents were mixed together, and 10 &#956;L of the mixture was added to the 384 well plate of third step;Finally, the solution of the 384 well above was mixed uniformly by centrifuging, and then incubated at room temperature for 1 h. Then the TR-FRET Endpoint was used for measuring the solution at wavelengths of 520 nm, 495 nm and 337 nm. EC50 values were calculated according to the measured value of ER=520 nm/495 nm.
1422	1	In Vitro Assays	A compound described herein can be tested in vitro for inhibition of wild-type RET and various mutant RET kinases, including e.g., RET V804L, RET V804M, and RET M918T kinases, as well as CCDC6-RET and KIF5B-RET fusion kinases. The IC50 can be calculated.
1423	1	ROCK1 and ROCK2 Compound Selectivity	Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Purified active ROCK1 and ROCK2 were obtained from Invitrogen (catalog numbers ROCK1, PV3691 and ROCK2, PV3759). The kit components include assay plates, which are pre-coated with recombinant MYPT1, which contains a specifically phosphorylatable Thr696. The inhibitory activities of compounds are measured according to the manufactures protocol. Briefly, decreasing concentrations of test compounds or the known ROCK inhibitor Y-27963, are added, from 50 uM to 0.003 uM to reaction buffer containing 5 mM MgCl2, and 10 mUnits of ROCK1 or ROCK2 in assay dilution buffer. This mixture is overlayed into the 96 well plate and the reaction is initiated with the addition of 2.5 uM ATP. The assay proceeds at 30° Celsius for 30 minutes with gentle shaking at 120 rpm. The assay is terminated by washing of the plate 3 times with Tris-buffered saline and tween wash buffer. Anti-phospho-MYPT1 (Thr696) antibody is added to each well to detect the phosphorylated substrate and incubated for 1 hour at room temperature after which HRP conjugated anti-rabbit IgG secondary is added for 1 hour at room temperature. After washing the assay is developed using a substrate reagent and the absorbance is read at 450 nm on a Tecan Infinite M1000 reflecting the relative remaining ROCK phosphorylation activity.
1424	1	Measurement of FXIa Inhibition	To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions are placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and the IC50 values are calculated from the concentration/activity relationships. 
1425	1	Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 and Human P2X2/3 Receptors	A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelating dye Fluo-4 (Molecular Probes). The excitation and emission wavelengths used to monitor fluorescence were 470-495 nm and 515-575 nm, respectively. Cells expressing purinergic receptors P2X3 (human) or P2X2/3 (human) were plated at a density of 15,000 cells/well in collagen-coated 384-well plates approximately 20 hours before beginning the assay. On the day of the assay, 20 &#956;l of loading buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, 2 &#956;M Fluo-4, and 5 units/mL, hexokinase, pH=7.4) was added and cells dye-loaded for 90 min at 37° C. The dye supernatant was removed and replaced with 45 &#956;l probenecid buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, pH=7.4). The test compound was added in a volume of 5 &#956;l and allowed to incubate for 30 min at 37° C. The final assay DMSO concentration is 1%. The agonist, &#945;,&#946;-Me-ATP, was added in a volume of 20 &#956;l at a concentration representing the EC80 value. The fluorescence was measured for an interval of 90 sec at 2 sec intervals and analyzed based on the increase in peak relative fluorescence units (RFU) compared to the basal fluorescence. Peak fluorescence was used to determine the response to agonist obtained at each concentration of test compound by the following equation: % Response=100*(RFU(test compound)&#8722;RFU(control))/(RFU(DMSO)&#8722;RFU(control))The Examples were tested in triplicates per plate and mean values were plotted in Excel XLFit to determine IC50 values at the human P2X3 and human P2X2/3 receptors, percentage of maximal inhibition and the Hill coefficients.
1426	1	Human alpha7 nAChR Binding Assay	The ability of compounds to displace binding of radioactive ligands from human &#945;7 nAChR was determined, as a measure of the affinity of the compounds for these ligand-gated ion channels. The [125I]-&#945;Bungarotoxin competition binding assay was performed under contract by Cerep Poitiers, France following published the methods (Sharpies et al., J Neurosci. 2000; 20(8):2783-91). SH-SY5Y cells stably expressing human &#945;7 nicotinic acetylcholine receptors, grown to confluency in 175 cm2 flasks, were washed briefly with warm PBS containing (in mm): (150 NaCl, 8 K2HPO4, 2 KH2PO4, pH 7.4, 37° C.) and scraped into cold phosphate buffer. Cells were washed by centrifugation for 3 min at 500×g and resuspended in 10 mL of ice-cold phosphate buffer. The suspension was homogenized for 10 sec using an Ultraturax and centrifuged for 30 min at 45,000×g. The pellet was resuspended in phosphate buffer (0.5 mL per original flask). SH-SY5Y membranes (30 &#956;g protein) were incubated in a total volume of 2 mL in 50 mM phosphate buffer with 0.05 nM [125I]-&#945;Bgt and serial dilutions of test compound. Nonspecific binding was determined in the presence of &#945;-bungarotoxin (1 &#956;M). Samples were incubated for 120 min at 37° C. The reaction was terminated by filtration through Whatman GFA/E filter paper (presoaked overnight in 0.3% polyethyleneimine in PBS), using a Brandel Cell Harvester. Each condition was measured in duplicate. Filters were counted for radioactivity using a scintillation counter. The results were expressed as a percent inhibition of control specific binding obtained in the presence of the test compounds where Inhibition (%)=100&#8722;[(measured specific binding/control specific binding)×100].
1426	2	[3H]BRL 43694 Competition Binding (h-5HT3 Assay	[3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., Characterization of a human 5-hydroxytryptamine3 receptor type A (h5-HT3R-AS) subunit stably expressed in HEK 293 cells, Brit. J. Pharmacol., (1996) 118: 1237-1245.In brief, Chinese Hamster Ovary (CHO) cells stably expressing human 5-HT3 serotonin receptors, grown to confluence in 175 cm2 flasks. Following aspiration of the culture medium, cells were harvested by mechanical agitation in ice cold PBS containing (in mM): (150 NaCl, 8 K2HPO4, 2 KH2PO4, pH 7.4, 37° C.), centrifuged at 4,000 g for 10 min and subsequently stored as a cell pellet at &#8722;80 C. When required, the pellet was thawed and resuspended in ice cold homogenization buffer (Tris 50 mM, EGTA 5.0 mM, phenylmethylsulphonylfluoride 0.1 mM, pH 7.6) and homogenized. The homogenate was centrifuged at 48,000 g for 10 minutes at 40° C. The resulting pellet was resuspended in ice cold binding buffer comprising (in mM): NaCl 140, KCl 2.8, CaCl2 1.0; MgCl2, 2.0; HEPES 10 (pH 7.4) and centrifuged as above. The pellet was resuspended in ice cold binding buffer and the protein concentration was determined by the method of Lowry et al., Protein measurement with the Folin phenol reagent, J. Biol. Chem., (1953) 193, 265-275). The membrane homogenate was adjusted to a protein concentration of approximately 600 mg/mL in binding buffer. Assay tubes were loaded with equal volumes of binding buffer containing [3H]BRL 43694 and test compound and 0.5 mL of membrane homogenate in a total reaction volume of 1 ml. Binding was initiated by the addition of the membrane homogenate and allowed to proceed for 120 min. at room temperature. Bound and free radioligand were separated by the addition of 3 ml of ice-cold binding buffer and immediate vacuum filtration through pre-soaked (0.1% (v/v) polyethyleneimine) Whatman GF/B filters. Filters were washed with a further 2×3 mL applications of binding buffer and counted for radioactivity using a scintillation counter.The results were expressed as a percent inhibition of control specific binding obtained in the presence of the test compounds where Inhibition (%)=100&#8722;[(measured specific binding/control specific binding)×100].
1427	1	LanthaScreen Eu kinase binding assay	To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay involves the binding of an Alexa-Fluor 647-labelled, ATP-competitive kinase tracer to the kinase of interest. A Europium-labelled anti-tag antibody also binds to the kinase of interest. Simultaneous binding of the tracer and the antibody brings them into close proximity and upon excitation at 340 nm, triggers fluorescence resonance energy transfer (FRET) between the Europium donor fluorophore on the antibody and the Alexa Fluor 647 acceptor on the tracer. The dual emission signal produced can be measured at 665 and 615 nm.Compounds at a concentration of 3 mM are serially diluted (e.g. 10 &#956;l 90 &#956;l of 100% dimethyl sulfoxide (DMSO)) seven times in 96-well plates for a total of 8 dilution points. Each DMSO dilution is further diluted 1:100 in kinase buffer (e.g. 5 &#956;l into 495 &#956;l kinase buffer) containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35.Each well in a 96-well Optiplate (Perkin Elmer 6005569) contains 30 &#956;l of final volume per sample, including 10 &#956;l compound at 3× the desired concentration, providing 10 &#956;M at the final maximum concentration, 10 &#956;l of kinase/antibody mixture at 3× the desired concentration of RAF recombinant kinases and antibody providing 5 nM final concentration of B-RAFV600E kinase (Invitrogen PV3849) and 3 nM final concentration of C-RAF Y340D/Y341D kinase (Invitrogen PV3805) and 2 nM final concentration of Eu-anti-GST antibody (PV5594), and 10 &#956;l of 3× the desired concentration of kinase tracer 178 (Invitrogen PV5593) providing final concentrations of 20 nM tracer for B-RAFV600E kinase and 6 nM tracer for C-RAF kinase. The plates are incubated for 5 hours at room temperature and read on an EnVision plate reader (Perkin Elmer). All data are analysed using the GraphPad Prism software package. Inhibition of tracer binding to the kinase of interest is assessed by determination of IC50 value, which is defined as the concentration of compound which decreased the level of FRET signal measured at 665 nm by 50%.
1428	1	cAMP ASSAY	The activation of the SSTR4 receptor (Gi coupled) causes an inhibition of intracellular cAMP after stimulation with Forskolin, which can be quantifiable by use of a suitable assay Kit and an adequate plate reader. This technique is used to characterize pharmacological effects of the SSTR4 receptor agonists by use of hSSTR4 expressing H4 cells.Compounds are dissolved and diluted in DMSO. The final test solution contains 1 DMSO. The cAMP standard (Lance cAMP 384 Kit; PerkinElmer, Cat #AD0264) is prepared in assay buffer (HBSS with 0.1% BSA, 5 mM HEPES, 0.5 M IBMX, pH 7.4) containing 1% DMSO and the cAMP standard curve is included at least on one plate. Cells are centrifuged and suspended in assay buffer (incl. 1:100 diluted Alexa antibody).For the assay 5 &#956;l of a cell suspension (approximately 5000 cells/well) incl. Alexa antibody (diluted 1:100) are added into a 384 well MTP microtitre plate excepting one row or column (depending on the plate layout), which is reserved for the standard curve. Then 2 &#956;l of compound sample is added as concentration response curve (e.g. 1e-5 M to 6e-10 M), usually in triplicates. Each assay contains incubations with vehicle controls instead of compound as controls for non-inhibited cAMP generation (100% CTL; high values) and incubations with 1 &#956;M Somatosatin as controls for full inhibition and background (0% CTL; low values). After approximately 10-15 min incubation time 3 &#956;l Forskolin (dissolved in DMSO, final conc. 15 &#956;M) is added. Then the plates are shaken briefly and incubated for 60 min at room temperature. After 60 min 10 &#956;l of the detection mix is added into all wells followed by an additional incubation period of 1 h. The plates are read in a suitable plate reader.The analysis of the data is based on the ratio of the time-resolved fluorescence measurements of donor and acceptor fluorophore (Ex: 320 nm; Em1: 665 nm; Em2: 615 nm; ratio 665/615). From this ratio, cAMP concentrations are calculated from standard curve and the EC50 is estimated by least square curve fit program.
1428	2	Radioligand Binding Assays	Method description for binding assays with human Somatostatin receptors by use of CHO cell membranes expressing recombinant human SSTR1 or human SSTR2 or human SSTR3 or human SSTR4 or human SSTR5Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments test compounds, which are not labeled, compete with the binding side of a labeled ligand. The displacement of the labeled ligand by the test compound leads to a decreased signal.Procedure:For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1% for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.The analysis of the concentration-binding curves is performed by computer-assisted nonlinear least square curve fitting method using the model of one receptor binding site.
1429	1	Biochemical JAK and Off-Target Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.Test compounds having a higher pKi value in each of the four JAK assays show greater inhibition of JAK activity. Compounds of the invention tested in this assay typically exhibited pKi values between about 9 and about 10.5
1430	1	Inhibition of Enzymatic Syk Kinase Activity	2.5 &#956;L of 10% DMSO or compound in 10% DMSO was added to the wells in a 96 well V-bottom plate. Optimized concentration of in-house Syk enzyme (different batches of Syk (356-635) kinase domain) were used at optimized concentrations) ranging from 0.035 ng to 7.5 ng/reaction diluted in assay buffer was added to a total volume of 12.5 &#956;L). Compound and protein were incubated for 30 minutes at room temperature on a plate shaker. Ten &#956;L of a substrate mix containing 100 &#956;M ATP (0.25 &#956;L), &#947;-P32-ATP (0.1 &#956;L; 10 &#956;Ci/&#956;L), pG4T (0.25 &#956;L; 10 mg/mL) and 1× assay buffer (9.4 &#956;L) was added to all the wells. Samples were incubated at 30° C. for 10 minutes after mixing. The reaction was stopped by the addition of 8N HCl (13 &#956;L) containing 100 mM ATP. Thirty &#956;L of sample was transferred to the center of a 2×2 cm2 Whatman P81 chromatography paper. After allowing the sample to dry for one minute, the assay squares were washed 3 times for 5 minutes each in ortho-phosphoric acid (0.5%) and once in acetone. Assay squares were dried for 15 minutes in a 30° C. oven and transferred to 96 well optiplate. Microscint-O reagent (100 &#956;L, Perkin Elmer) was added to each well, the plate was sealed with Topseal-A microplates and incubated for 10 minutes at room temperature at very low speed on rocker and the plate was read in the Topcount NXL instrument.
1430	2	Inhibition of Enzymatic JAK2 Kinase Activity	Two &#956;L of 10% DMSO in blank, substrate control and positive control wells and 2 &#956;L of test compound in test wells was added. Thirteen &#956;L of assay buffer in blank and substrate control wells and 13 &#956;L of Enzyme buffer mix in positive and test wells was added. The reaction mixture was incubated for 30 minutes at RT on a plate shaker. Ultra Light-pGT substrate (5 &#956;L) [poly Glu-Tyr (4:1) labeled with U Light TM dye, a tyrosine kinase substrate] and ATP mix was added to all wells. The reaction plate was incubated for 60 minutes at RT on a plate shaker. The reaction was stopped by adding 40 mM EDTA (10 &#956;L) in buffer. Ten &#956;L of antibody was added to all the wells. The plate was read in a Wallac 1420 Multilabel Counter Victor 3 instrument (Ex: 340 nm Em: 615 & 665 nm).
1431	1	cAMP Assay	CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), 1×HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37° C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30° C. for 30 min. Compounds were added to a final assay volume of 100 &#956;l and incubated for 30 min at 30° C. Using the cAMP-Nano-TRF detection kit the assay (Roche Diagnostics) was stopped by the addition of 50 &#956;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 &#956;l detection solutions (20 &#956;M mAb Alexa700-cAMP 1:1, and 48 &#956;M Ruthenium-2-AHA-cAMP) and shaken for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The FRET signal is calculated as follows: FRET=T730-Alexa730-P(T645-B645) with P=Ru730-B730/Ru645-B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 &#956;M to 0.13 nM cAMP.EC50 values were determined using Activity Base analysis (ID Business Solution, Limited). The EC50 values for a wide range of cannabinoid agonists generated from this assay were in agreement with the values published in the scientific literature.The compounds of the invention are CB2 receptor agonists with EC50 below 1 &#956;M and selectivity versus CB1 in the corresponding assay of at least 10 fold. Particular compound of the invention are CB2 receptor agonists with EC50 below 0.05 &#956;M and selectivity versus CB1 in the corresponding assay of at least 500 fold.
1432	1	FLAP Binding Assay (Test A)	Compounds were tested in a competition binding assay using 3H-MK591 as tracer. (Preparation of MK-591 is described in Bioorg. Med. Chem. Lett. 1999, 9, 2391). A 100,000×g pellet from COS-7 cells stably transfected with a plasmid expressing human ALOX5AP was the source of FLAP. Membrane pellets were resuspended in buffer (100 mM Tris-HCl, 0.05% Tween-20, 140 mM NaCl, 2 mM EDTA, 0.5 mM DTT, 5% Glycerol, pH 7.5) to give a final protein concentration of 12 mg/mL (2 &#956;g/well). To perform assays, 1.4 &#956;L compounds were dispensed into 96-well plates in 3-fold dilution series in triplicate. 84 &#956;L radioligand (25000 CPM, 2 nM final concentration in assay) was then added followed by 84 &#956;L membrane suspension and incubation at rt for 60 min. Following filtration, filter plates were dried 12 h at RT (or 50° C. for 1 hour). 50 &#956;L scintillant was then added, the filterplates were sealed and radioactivity was measured in a microbeta counter. Specific binding was defined as total binding minus non-specific binding. Total binding was defined as 3H-MK591 bound to membranes in the absence of competitor, non-specific binding was defined as 3H-MK591 in the presence of 0.1 mM MK-591. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model.
1433	1	Rat and Human Orexin 1 Receptor Radioligand Binding Studies	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1× Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1×Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).IC50 values (i.e. concentration of unlabelled compound required to compete for 50% of specific binding to the radioligand) was calculated using the GraphPad Prism software (GraphPad Prism Software Inc., San Diego, Calif.) with a fit to a sigmoidal dose-response curve. Apparent Ki values were calculated as Ki=IC50/(1+C/Kd), where C is concentration of radioligand and Kd=4 nM for rat orexin 1 receptor and 6 nM for human orexin 1 receptor.Human Orexin 2 Receptor Radioligand Binding StudiesHEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1×Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at 80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration).
1433	2	Human Orexin 1 Receptor Ca2+ Mobilization Assay	CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×pen-strep, 400 &#956;g/ml G418. Cells were seeded on to 384-well Packard viewplates at a density of 10,000 cells/well and incubated overnight at 37° C., 5% CO2. The cells were dye-loaded with BD Calcium Assay kit (BD, cat #640178) in HBSS (Gibco, cat #14025-092) with 2.5 mM probenecid and incubated at 37° C., 5% CO2 for 45 min. Cells were pre-incubated with compounds (diluted in DMEM/F-12) for 15-30 minutes before agonist (orexin A, 10 nM) stimulation. Ligand-induced Ca2+ release was measured using a Fluorometric Imaging Plate Reader (FLIPR, Molecular Devices, Sunnyvale, Calif.). Functional responses were measured as peak fluorescence intensity minus basal. The concentration of agonist that produced a half-maximal response is represented by the EC50 value. Antagonistic potency values were converted to apparent pKB values using a modified Cheng-Prusoff correction. Apparent pKB=&#8722;log IC50/1+[conc agonist/EC50].
1433	3	Human Orexin 2 Receptor Ca2+ Mobilization Assay	PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep. Cells were seeded on to 384-well Packard viewplates at a density of 5,000 cells/well and incubated overnight at 37° C., 5% CO2. The cells were dye-loaded with BD Calcium Assay kit (BD, cat #640178) in HBSS (Gibco, cat #14025-092) with 2.5 mM probenecid and incubated at 37° C., 5% CO2 for 45 min. Cells were pre-incubated with compounds (diluted in DMEM/F-12) for 15-30 minutes before agonist (orexin B, 100 nM) stimulation. Ligand-induced Ca2+ release was measured using a Fluorometric Imaging Plate Reader (FLIPR, Molecular Devices, Sunnyvale, Calif.). Functional responses were measured as peak fluorescence intensity minus basal. The concentration of agonist that produced a half-maximal response is represented by the EC50 value. Antagonistic potency values were converted to apparent pKB values using a modified Cheng-Prusoff correction. Apparent pKB=&#8722;log IC50/1+[conc agonist/EC50].
1434	1	HEK293-Blue-hTLR-7 Cells Assay	A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat.#: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying the stimulation of human TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene was placed under the control of the IFN-3 minimal promoter fused to five NF-&#954;B and AP-1-binding sites. The SEAP was induced by activating NF-&#954;B and AP-1 via stimulating HEK-Blue hTLR7 cells with TLR7 ligands. Therefore the reporter expression was regulated by the NF-&#954;B promoter upon stimulation of human TLR7. The cell culture supernatant SEAP reporter activity was determined using QUANTI-Blue kit (Cat.#: rep-qb 1, Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple to blue in the presence of alkaline phosphatase.HEK293-Blue-hTLR7 cells were incubated at a density of 250,000 450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/l glucose, 50 U/ml penicillin, 50 mg/ml streptomycin, 100 mg/ml Normocin, 2 mM L-glutamine, 10% (v/v) heat-inactivated fetal bovine serum for 24 h. Then the HEK293-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hours. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 1-3 hours and the absorbance was read at 620 655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002).
1435	1	Radioactive Binding Assay	The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97R) (Cat No. 14-737) procured from Upstate. The incorporation of 32P into MEK1 (K97R) by BRAF (V599E) is measured with final assay buffer conditions of 50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM DTT, 100 mM sucrose, 100 &#956;M sodium orthovanadate, 5 &#956;M ATP and 2 &#956;Ci [&#947; 32P] ATP and 500 mg MEK1 Kinase dead substrate. The enzymatic reaction is stopped after 120 minutes with 8N HCl (hydrochloric acid) and 1 mM ATP. The solution is spotted on P81 filter paper and washed 4 times with 0.75% orthophosphoric acid and lastly with acetone. The dried P81 filter papers are read in a Micro-beta Trilux scintillation counter. The final concentration of DMSO is 1% in the assay. Compounds are screened at 10 &#956;M concentration with pre-incubation of the enzymes in the presence of test compound for 45 minutes. Compounds of the invention were found to be inactive in this assy, e.g. ex. 33 (13% inhibition at 10 uM), ex. 1A (0% inhibition at 10 uM).
1436	1	In Vitro Rat FAAH Radiometric Assay	Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay used to measure FAAH activity was performed in eppendorf tubes: 50 &#956;g of total rat brain homogenate were pre-incubated in 445.5 &#956;L of assay buffer (50 mM Tris-HCl pH7.4, 0.05% Fatty acid-free bovine serum albumin (BSA)) with 4.5 &#956;L of inhibitor (at appropriate concentration in DMSO) or DMSO alone (to measure FAAH total activity) for 10 minutes at 37° C. The blank (no activity control) was prepared using 445.5 &#956;L of assay buffer and 4.5 &#956;L of DMSO without the 50 &#956;g of total rat brain homogenate.After 10 minutes of pre-incubation with test compounds, the reaction was started by adding of 50 &#956;L of substrate and incubating for 30 min at 37° C. The substrate was prepared in assay buffer in order to achieve the final concentration of 1 &#956;M arachidonoyl ethanolamide (Cayman Chemical N. 90050) and 0.6 nM anandamide [ethanolamine-1-3H](American Radiolabeled Chemicals Inc., ART. 0626, conc. 1 mCi/mL, S.A. 60 Ci/mmol). The reaction was stopped by adding cold 1:1 CHCl3/MeOH. After 10 minutes of centrifugation (845×g at 4° C.) 600 &#956;L of aqueous phase were transferred into scintillation vials previously filled with 3 mL of scintillation fluid (Ultima Gold, Perkin Elmer Inc., Cat. 6013329). Radioactivity was measured by liquid scintillation counting (MicroBeta2 LumiJET Perkin Elmer Inc.).
1436	2	In Vitro Human FAAH Fluorescent Assay	Human recombinant FAAH was obtained from a HEK-293 FAAH-1 overexpressing stable cell line. Cells were grown in DMEM medium containing 10% FBS, 1% pen/strep, 1% glutamine and 500 &#956;g/mL G418. To obtain membrane preparation cells were scraped off with cold phosphate-buffered saline (PBS) and collected by centrifugation (500×g, 10 minutes, 4° C.); the cell pellet was re-suspended in 20 mM Tris-HCl pH 7.4, 0.32 M sucrose, disrupted by sonication (10 pulses, 5 times) and centrifuged (800×g, 15 minutes, 4° C.); the collected supernatant was centrifuged at 105,000×g for 1 h at 4° C. and the pellet was re-suspended in PBS.The fluorescent assay to measure FAAH activity was performed in 96 wells black plates: 2.5 &#956;g of human FAAH-1 membrane preparation were pre-incubated for 50 minutes at 37° C., in 180 &#956;L of assay buffer (50 mM TrisHCl pH 7.4, 0.05% Fatty acid-free BSA) with 10 &#956;L of inhibitor or 10 &#956;L DMSO to measure FAAH total activity. The background (no activity) samples were prepared using 180 &#956;L of assay buffer without human FAAH-1 and 10 &#956;L of DMSO. The reaction was then started by the addition of 10 &#956;L of substrate (AMC arachidonyl amide, N. 10005098, Cayman Chemical) dissolved in ethanol and used at a final concentration of 2 &#956;M. The reaction was carried out for 30 minutes at 37° C. and fluorescence was measured with a Tecan Infinite M200 nanoquant plate reader (excitation wavelength 350 nm/emission wavelength 460 nm).
1436	3	In Vitro COX Assay	COX activity was measured using a commercial kit (COX Inhibitor Screening Assay Kit Cayman Chemical N. 560131) which includes both ovine COX-1 and human recombinant COX-2 enzymes. Inhibitors were pre-incubated with either ovine COX-1 or human COX-2 in order to screen isozyme-specific inhibition. Differently than described in the kit protocol, the reaction was carried out in the presence of 5 &#956;M arachidonic acid while for the blank sample (no activity) the two enzymes were inactivated for 40 minutes at 100° C. It was then measured the amount of PGF2&#945; produced by reduction with SnCl2 of COX-derived PGH2, via enzyme immunoassay (EIA) using a PG-specific antibody and competing with a PG-acetylcholinesterase conjugate.Absorbance was measured at 412 nm with a Tecan Infinite M200 plate reader and data were processed according to manufacturer&#39;s instructions.
1437	1	Electrophysiological Assay 	The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. Nav1.7 and Nav1.5 cDNAs (NM_002977 and AC137587; SCN5A, respectively) were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed only in the Nav1.7 cell line.
1438	1	Kinase Inhibition Asssay	Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSORequired cofactors are added individually to each kinase reactionReaction Procedure:(i) Prepare indicated substrate in freshly prepared Base Reaction Buffer(ii) Deliver any required cofactors to the substrate solution above(iii) Deliver indicated kinase into the substrate solution and gently mix(iv) Deliver compounds in DMSO into the kinase reaction mixture(v) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) into the reaction mixture to initiate the reaction.(vi) Incubate kinase reaction for 120 minutes at room temperature(vii) Reactions are spotted onto P81 ion exchange paper (Whatman #3698-915)(viii) Wash filters extensively in 0.1% phosphoric acid.(ix) Dry filters and measure counts in scintillation counterKinase Information:CHK-1 Genbank Accession # AF016582Recombinant full length construct, N-terminal GST tagged, purified from insect cells.No special measures were taken to activate this kinase.Final concentration in assay=0.5 nMSubstrate: CHKtidePeptide sequence: [KKKVSRSGLYRSPSMPENLNRPR]Final concentration in assay=20 &#956;M
1441	1	Inhibition Assay	ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention were prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;em 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. ATX activity was measured as a slope of the linear portion of the progress curve, typically between 14 to 24 minutes.
1442	1	Transactivation Assay	In the presence of an activator (agonist), the melanocortin receptor will activate the cAMP pathway which, via the CRE-Luc vector, will result in the synthesis of luciferase. After the addition of a lysis buffer containing a luminescent substrate for luciferase, it will be possible to measure the luminescence proportional to the degree of activation or of inhibition of the receptor. The products are solubilized at 10 mM in DMSO. They are tested in the form of dose-response at a final DMSO concentration of 0.1%. The range comprising 10 points and one zero begins at 10 &#956;M with 4-fold dilutions. For testing agonists, the products are tested alone. For determining the behaviour of antagonists, the products of interest are tested in the presence of 1 nM NDP-MSH (reference agonist). The cells are seeded at a rate of 5000 cells per well (384 well plate) in serum-free DMEM medium, and incubated overnight at 37° C., 5% CO2.The products and the reference ligand (NDP-MSH) are added the following day, and the plates are again incubated for 6 h at 37° C., 5% CO2. After the addition of lysis buffer containing luciferin, the plates are read on a Top-Count instrument. The results are standardized as % activity using the 100% (cells+NDP-MSH at 10 nM) and 0% (cells alone) controls. An EC50 is calculated for each product using the XLFit software. The results are given in nM.
1443	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [&#947;-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction was stopped after 24 hours by the addition of 30 &#956;L 0.1 M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHNOB50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate was washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
1444	1	In Vitro Assay	The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incubated with different concentrations of test compounds in denaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol) at room temperature for 30 min. Luciferase protein was added to denaturation mix and incubated at 50° C. for 8 min. The final concentration of HSP90 and luciferase in denaturation mixture were 0.375 &#956;M and 0.125 &#956;M respectively. A 5 &#956;l sample of the denatured mix was diluted into 25 &#956;l of renaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol, 0.5 mM ATP, 2 mM DTT, 5 mM KCl, 0.3 &#956;M HSP70 and 0.15 &#956;M HSP40). The renaturation reaction was incubated at room temperature for 150 min, followed by dilution of 10 &#956;l of the renatured sample into 90 &#956;l of luciferin reagent (Luclite, PerkinElmer Life Science). The mixture was incubated at dark for 5 min before reading the luminescence signal on a TopCount plate reader (PerkinElmer Life Science).
1444	2	Competition Binding (Fluorescence Polarization) Assay	A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis for the fluorescence polarization assay. A free and fast-tumbling FITC labeled GM emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When GM is bound to HSP90, the complex tumble slower and the emitted light is polarized, resulting in a higher mP value. This competition binding assay was performed in 96-well plate and with each assay contained 10 and 50 nM of labeled GM and purified HSP90 protein (Assay Design, SPP-776F) respectively. The assay buffer contained 20 mM HEPES (pH 7.3), 50 mM KCl, 1 mM DTT, 50 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40 with 0.1 mg/ml bovine gamma-globulin. Compounds are diluted in DMSO and added to the final assay before labeled GM with concentration range from 20 uM to 2 nM. mP value was determined by BioTek Synergy II with background subtraction after 24 hours of incubation at 4° C.
1446	1	In Vitro Isomerase Inhibition Assay	Isomerase inhibition reactions were performed essentially as described (Stecher et al., J. Biol. Chem. 274:8577-85 (1999); see also Golczak et al., Proc. Natl. Acad. Sci. USA 102:8162-67 (2005)). Bovine Retinal Pigment Epithelium (RPE) microsome membranes were the source of a visual cycle isomerase.Compounds disclosed herein and control compounds were reconstituted in ethanol to 0.1 M. Ten-fold serial dilutions (10&#8722;2, 10&#8722;3, 10&#8722;4, 10&#8722;5, 10&#8722;6 M) in ethanol of each compound were prepared for analysis in the isomerase assay.The isomerase assay was performed in 10 mM bis-tris-propane (BTP) buffer, pH 7.5, 0.5% BSA (diluted in BTP buffer), 1 mM sodium pyrophosphate, 20 &#956;M all-trans retinol (in ethanol), and 6 &#956;M apo-CRALBP. The test compounds (2 &#956;l) (final 1/15 dilution of serial dilution stocks) were added to the above reaction mixture to which RPE microsomes were added. The same volume of ethanol was added to the control reaction (absence of test compound). Bovine RPE microsomes (9 &#956;l) (see above) were then added, and the mixtures transferred to 37° C. to initiate the reaction (total volume=150 al). The reactions were stopped after 30 minutes by adding methanol (300 &#956;l). Heptane was added (300 &#956;l) and mixed into the reaction mixture by pipetting. Retinoid was extracted by agitating the reaction mixtures, followed by centrifugation in a microcentrifuge. The upper organic phase was transferred to HPLC vials and then analyzed by HPLC using an Agilent 1100 HPLC system with normal phase column: SILICA (Agilent Technologies, dp 5&#956;, 4.6 mmX, 25 CM; running method had flow rate of 1.5 ml/min; injection volume 100 &#956;l). The solvent components were 20% of 2% isopropanol in EtOAc and 80% of 100% hexane.The area under the A318 nm curve represented the 1 l-cis retinol peak, which was calculated by Agilent Chemstation software and recorded manually. The IC50 values (concentration of compound that gives 50% inhibition of 11-cis retinol formation in vitro) were calculated using GraphPad Prism 4 Software (Irvine, Calif.). All tests were performed in duplicate. The IC50 value for Compound 28 is shown in FIG. 4.The concentration dependent effect of the compounds disclosed herein on the retinol isomerization reaction was also evaluated with a recombinant human enzyme system. In particular, the human in vitro isomerase assay was performed essentially as in Golczak et al. 2005, PNAS 102: 8162-8167, ref. 3). A homogenate of HEK293 cell clone expressing recombinant human RPE65 and LRAT were the source of the visual enzymes, and exogenous all-trans-retinol (about 20 &#956;M) was used as the substrate. Recombinant human CRALBP (about 80 ug/mL) was added to enhance the formation of 11 cis-retinal. The 200 &#956;L Bis-Tris Phosphate buffer (10 mM, pH 7.2) based reaction mixture also contains 0.5% BSA, and 1 mM NaPPi. In this assay, the reaction was carried out at 37° C. in duplicates for one hour and was terminated by addition of 300 &#956;L methanol. The amount of reaction product, 11-cis-retinol, was measured by HPLC analysis following Heptane extraction of the reaction mixture. The Peak Area Units (PAUs) corresponding to 11cis-retinol in the HPLC chromatograms were recorded and concentration dependent curves analyzed by GraphPad Prism for IC50 values. The ability of the numerous compounds disclosed herein to inhibit isomerization reaction is quantified and the respective IC50 value is determined.
1446	2	Retinoid Nuclear Receptor Activity	Retinoid nuclear receptor activity is associated with transduction of the non-visual physiologic, pharmacologic, and toxicologic retinoid signals that affect tissue and organ growth, development, differentiation, and homeostasis.The effect of the Compounds of Examples 4, 28, and 29 (Compound 4, Compound 28, and Compound 29) and the effect of a retinoic acid receptor (RAR) agonist (E-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylenyl)-1-propenyl]benzoic acid) (TTNPB), and of all-trans-retinoic acid (at-RA), which is an RAR and retinoid X receptor (RXR) agonist, were studied on RAR and RXR receptors essentially as described by Achkar et al. (Proc. Natl. Acad. Sci. USA 93:4879-84 (1996)). Results of these assays are presented in Table 11. Amounts as great as 10 &#956;M of each of Compound 4-HCl, Compound 28-HCl, and Compound 29-HCl did not show any significant effects on retinoid nuclear receptors (RAR and RXR)
1447	1	Luciferase Assay	Medium including test compound was aspirated and washed with PBS. 50 &#956;l PBS including 1 mM Mg++ and Ca++ were then added to each well. The luciferase assay was performed using the LucLite kit according to the manufacturer&#39;s instructions (Packard Instruments). Light emission was quantified by counting on a Perkin Elmer Envision reader. To measure 3-galactosidase activity 25 &#956;l supernatant from each transfection lysate was transferred to a new 384 microplate. Beta-galactosidase assays were performed in the microwell plates using a kit from Promega and read in a Perkin Elmer Envision reader. The beta-galactosidase data were used to normalize (transfection efficiency, cell growth etc.) the luciferase data.
1447	2	Nuclear Hormone Receptor (NHR) Assay	Cell Handling: PathHunter NHR cell lines were expanded from freezer stocks according to standard procedures. Cells were seeded in a total volume of 20 &#956;L into white walled, 384-well microplates and incubated at 37° C. for the appropriate time prior to testing. Assay media contained charcoal-dextran filtered serum to reduce the level of hormones present.Agonist Format: For agonist determination, cells were incubated with sample to induce response. Intermediate dilution of sample stocks was performed to generate 5× sample in assay buffer. 5 &#956;L of 5× sample was added to cells and incubated at 37° C. or room temperature for 3-16 hours. Final assay vehicle concentration was 1%.Antagonist Format: For antagonist determination, cells were pre-incubated with antagonist followed by agonist challenge at the EC80 concentration. Intermediate dilution of sample stocks was performed to generate 5× sample in assay buffer. 5 &#956;L of 5× sample was added to cells and incubated at 37° C. or room temperature for 60 minutes. Vehicle concentration was 1%. 5 &#956;L of 6×EC80 agonist in assay buffer was added to the cells and incubated at 37° C. or room temperature for 3-16 hours.Signal Detection: Assay signal was generated through a single addition of 12.5 or 15 &#956;L (50% v/v) of PathHunter Detection reagent cocktail, followed by a one hour incubation at room temperature. Microplates were read following signal generation with a PerkinElmer Envision&#153; instrument for chemiluminescent signal detection.Data Analysis: Compound activity was analyzed using CBIS data analysis suite (ChemInnovation, CA).
1448	1	Measurement of Inhibition of MPS1 Kinase	The enzyme reaction (total volume 10 &#956;l) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2] (5 &#956;M), ATP(10 &#956;M), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 &#956;M in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 &#956;M MgCl2, 1 &#956;M DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 &#956;l) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences).The reader provides a Software package (Reviewer) which converts the peak heights into % conversion by measuring both product and substrate peak and also allows selection of control well which represent 0% and 100% inhibition respectively. The % inhibition of the compounds is calculated relative to the means of selected control wells. IC50s are determined by testing the compounds at a range of concentrations from 0.25 nM-100 &#956;M. The % inhibitions at each concentration are then fitted to a 4 parameter logistic fit: y=(a+((b&#8722;a)/(1+((c/x^d)))) where a=asym min, b=asym max, c=IC50 and d=hill coefficient.
1449	1	In Vitro DGAT2 Assay	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 &#956;L. To 14 of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 20 minutes. To this mixture, 10 &#956;L of hDGAT2 membrane fraction (0.01 mg/mL) diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock) was added. After this mixture was preincubated at room temperature for 2 hours, DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 min in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase. Background activity obtained using 50 &#956;M of (1R, 2R)-2-({3&#8242;-Fluoro-4&#8242;-[(6-fluoro-1, 3-benzothiazol-2-yl)amino]-1,1&#8242;-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid (US 20040224997, Example 26) or (R)-1-(2-((S)-1-(4-Chloro-1H-pyrazol-1-yl)ethyl)-3H-imidazo[4,5-b]pyridin-5-yl)piperidin-3-yl)(pyrrolidin-1-yl)methanone (WO 2013150416, Example 196-A) for complete inhibition of DGAT2 was subtracted from all reactions. Inhibitors were tested at eleven different concentrations to generate IC50 values for each compound. The eleven inhibitor concentrations employed typically included 50, 15.8, 5, 1.58, 0.50, 0.16, 0.05, 0.016, 0.005, 0.0016, and 0.0005 &#956;M. The data were plotted as percentage of inhibition versus inhibitor concentration and fit to the equation, y=100/[1+(x/IC50)z], where IC50 is the inhibitor concentration at 50% inhibition and z is the Hill slope (the slope of the curve at its inflection point). Table 3 below provides the IC50 values of the Examples for inhibition of DGAT2 in accordance with the above-described assay. Results are reported as geometric mean IC50 values.
1450	1	 Glucocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Derivatives	Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR , Invitrogen Corp., Carlsbad, Calif.). This cell line was stably transfected with an expression construct containing &#946;-lactamase cDNA under control of the MMTV response element previously identified as a glucocorticoid receptor response element.Results from one experiment performed in duplicate for 9 compounds and the control compound, dexamethasone, are summarized in Table 3. All assays were performed as 10-point dose responses using a half log-fold dilution series starting with a maximum compound concentration of 100 nM. The compounds were incubated for 5 hours. The activation of endogenous GR leads to expression of the reporter &#946;-lactamase which is detected by the conversion of a FRET substrate in a ratiometric assay format. This functional assay allows for measurement of receptor agonism by compounds and can be used to determine compound potency and selectivity. 
1450	2	Mineralocorticoid Receptor Transactivation Potencies for Cortisol and 17-ester Derivatives	Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENSOR ). This cell line was stably cotransfected with an expression construct containing &#946;-lactamase cDNA under control of the GAL4 Upstream Activator Sequence (UAS) and another expression construct encoding for the fusion protein GAL4(DBD)-MR(LBD). Results for one experiment performed in duplicate for 9 compounds and the control compound, aldosterone, in agonist mode are summarized in Table 4. All assays were performed as 10-point dose responses using a half log-fold dilution series starting with a maximum compound concentration of 100 nM. The compounds were incubated for 16 hours. The activation of the fusion protein GAL4(DBD)-MR(LBD) leads to expression of the reporter &#946;-lactamase which is detected by the conversion of a FRET substrate in a ratiometric assay format. This functional assay allows for measurement of receptor agonism by compounds and can be used to determine compound potency and selectivity. Assay reproducibility was determined by calculating Z&#8242; values for untreated versus maximum stimulation. The Z&#8242; value was greater than 0.6, indicating good reproducibility of the assay format.
1451	1	HDAC Inhibition Assay	All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now available commercially through Perkin Elmer. All the other reagents were purchased from Sigma-Aldrich. Caliper EZ reader II system was used to collect all data. HDAC inhibition assays: Compounds were tested in duplicate in a 12-point dose curve with 3-fold serial dilution starting from 33.33 &#956;M. Purified HDACs were incubated with 2 &#956;M carboxyfluorescein (FAM)-labeled acetylated or trifluoroacetylated peptide substrate (Broad Substrate A and B respectively) and test compound for 60 minutes at room temperature, in HDAC assay buffer that contained 50 mM HEPES (pH 7.4), 100 mM KCl, 0.01% BSA and 0.001% Tween-20. Reactions were terminated by the addition of the known pan HDAC inhibitor LBH-589 (panobinostat) with a final concentration of 1.5 &#956;M. Substrate and product were separated electrophoretically and fluorescence intensity in the substrate and product peaks was determined and analyzed by Labchip EZ Reader. The reactions were performed in duplicate for each sample. IC50 values were automatically calculated by Origin 8 using 4 Parameter Logistic Model. The percent inhibition was plotted against the compound concentration, and the IC50 value was determined from the logistic dose-response curve fitting by Origin 8.0 software.
1452	1	Norepinephrine, Transporter NET (h)	Assay Type: BindingSpecies: HumanOrigin: Recombinant/CHO cellsLigand: [3H]-NisoxetineLigand [M]: 1.00E-09Kd (Binding Affinity): 3.00E-09Bmax: 10 pmol/mg proteinMethod: RadioactivityMeasurement: DPM
1452	2	Serotonin, Transporter SERT (h)	Assay Type: BindingSpecies: HumanOrigin: PlateletsLigand: [3H]Citalopram, N-MethylLigand [M]: 7.00E-10Kd (Binding Affinity): 2.50E-09Bmax: 425 fmol/mg proteinMethod: RadioactivityMeasurement: DPM
1453	1	In Vitro Test of Inhibition of Human FP Receptor Activity (B-1A)	For the characterization of test substances in respect of FP antagonism, PGF2&#945;-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS093C) was used.3000 cells in 25 &#956;l of full medium [DMEM F12, 10% FCS, 1.35 mM sodium pyruvate, 20 mM HEPES, 4 mM GlutaMAX, 2% sodium bicarbonate, 1% Pen/Strep, 1% 100× non-essential amino acids] are sown per well of a 384 multititer plate (from Greiner, TC plate, black with clear base) and incubated at 37° C./5% CO2 for 24 hours. Prior to the measurement, the medium is replaced by 30 &#956;l of Fluo-8 AM loading buffer [calcium-free Tyrode (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 4.8 mM NaHCO3, pH 7.4), 2 mM CaCl2, 1× SmartBlock (from CANDOR Bioscience GmbH), 4.5 mM Probenecid, 5 &#956;M Fluo-8 AM, 0.016% Pluronic, 0.04% Brilliant black] and incubated at 37° C./5% CO2 for 30 minutes. The test substance is prepared in DMSO in various concentrations as a dose-response curve (starting concentration 10 mM, dilution factor 3.16) and prediluted 1:50 with calcium-free Tyrode/2 mM CaCl2. 10 &#956;l of the prediluted substance solution are added to the Fluo-8-laden cells and incubated at 37° C./5% CO2 for 10 minutes. The FP receptor is activated by adding 20 &#956;l of 3 nM (final concentration) PGF2&#945; in calcium-free Tyrode/2 mM CaCl2/0.04% Brilliant black, and the calcium flux is determined by measuring the fluorescence at ex. 470 nm/em. 525 nm in a fluorescence measuring instrument (FLIPR Tetra, Molecular Devices) for 120 seconds.
1453	2	In Vitro Test of Inhibition of Human FP Receptor Activity (B-1B)	For the characterization of test substances in respect of FP antagonism, the PGF2&#945;-induced calcium flux in recombinant FP-expressing CHO cells which additionally express the Ca2+ sensor protein GCaMP6 was used.3000 cells in 25 &#956;l of full medium [DMEM F12, 10% FCS, 1.35 mM sodium pyruvate, 20 mM HEPES, 4 mM GlutaMAX, 2% sodium bicarbonate, 1% Pen/Strep, 1% 100× non-essential amino acids] are sown per well of a 384 multititer plate (from Greiner, TC plate, black with clear base) and incubated at 37° C., 5% CO2 for 24 hours. Prior to the measurement, the medium is replaced by 30 &#956;l of buffer [calcium-free Tyrode (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 4.8 mM NaHCO3, pH 7.4), 2 mM CaCl2, 0.01% BSA] and incubated at 37° C., 5% CO2 for 30 minutes. The test substance is prepared in DMSO in various concentrations as a dose-response curve (starting concentration 10 mM, dilution factor 3.16) and prediluted 1:50 with calcium-free Tyrode/2 mM CaCl2/0.01% BSA. 10 &#956;l of the prediluted substance solution are added to the cells and incubated at 37° C., 5% CO2 for 10 minutes. The FP receptor is activated by adding 20 &#956;l of 3 nM (final concentration) PGF2&#945; in calcium-free Tyrode/2 mM CaCl2, and the calcium flux is determined by measuring the fluorescence at ex. 470 nm/em. 525 nm in a fluorescence measuring instrument (FLIPR Tetra, MolecularDevices) for 120 seconds.
1454	1	Omnia Assay	A 10× stock solution of FGFR4-WT (PR4380C), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 7, was prepared as described below. Alternatively, a 10× stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 7, was prepared as described below. A solution of 1.4×ATP (AS001A) and 5×Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in IX kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 &#956;L volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EVO100. A second addition of 10 &#956;l of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 &#956;L of 1.4×ATP. The reactions were monitored every 71 seconds for 240 minutes at &#955;ex360/&#955;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
1455	1	Glutamine Uptake	The glutamine uptake assays in HEK293 cells were carried out in 96 well plates (CulturPlate-96, Perkin Elmer). Cells were plated at a density of 35,000 cells per well 24 hours prior to carrying out the assay. Each set of conditions is carried out in triplicate. The wells are washed three times with 100 uL of assay buffer at pH 6.0 (containing 137 mM NaCl, 5.1 mM KCl, 0.77 mM KH2PO4, 0.71 mM MgSO4.7H2O, 1.1 mM CaCl2, 10 mM D-glucose, and 10 mM HEPES). 1H-glutamine (500 nM) in the same buffer is added along with inhibitor and allowed to incubate for 15 min at 37° C. Following incubation, the H-glutamine/inhibitor is removed and the cells are washed three times with buffer. The cells are then lysed by the addition of 50 uL 1M NaOH. 150 uL of scintillation fluid (Microscint 40, Perkin Elmer) is added and the plates are counted on a scintillation counter (Topcount, Perkin Elmer).
1456	1	Biochemical assay	Biochemical assays were performed using a Biotek Synergy H1 microplate reader. Prior to their evaluation, initial experiments were performed to confirm the synthesized analogues do not inhibit the coupling enzymes utilized in the substrate and inhibition assays. Metabolomics: LC gradient was employed at a flow rate of 200 &#956;L/min on an Agilent 1150 LC system (Agilent, Santa Clara, Calif., USA); mass spectrometry was performed on a Q-Exactive mass spectrometer (Thermo Fisher Scientific, Waltham, Mass., USA). Crystallographic data were collected on beamlines 23ID-B and 23ID-D of GM/CA@APS of the Advanced Photon Source (APS) using X-rays of 0.99 &#8491; wavelength and Rayonix (formerly MAR-USA) 4×4 tiled CCD detector with a 300 mm2 sensitive area.
1457	1	HEK WC Assay	Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds. Compounds stimulating the sGC receptor should cause an increase in the intracellular concentration of cGMP. HEK 293 cells were seeded in Dulbecco&#39;s Modification of Eagle&#39;s Medium supplemented with fetal bovine serum (10% final) and L-glutamine (2 mM final) in a 200 &#956;L volume at a density of 1×105 cells/well in a poly-D-lysine coated 96 well flat bottom plate and grown overnight at 37° C. Medium was aspirated and cells were washed with 1× Hank&#39;s Buffered Saline Salt Solution (200 &#956;L). Cells were then incubated for 15 minutes at 37° C. with 0.5 mM 3-isobutyl-1-methylxanthine (200 &#956;L). Test article and sodium nitroprusside were then added to the assay mixture (2 &#956;L each) and incubated at 37° C. for 10 minutes. After the 10 minute incubation, the assay mixture was aspirated and 0.1M HCl (200 &#956;L) was added to the cells. The plate was incubated at 4° C. for 30 minutes in the 0.1M HCl to stop the reaction and lysed the cells. The plates were then centrifuged at 1,200 g for 5 minutes at room temperature. Supernatants were collected and transferred to a new flat bottom 96 well plate for analysis. Vehicle controls were carried out using DMSO (1%). A known sGC stimulator, BAY 41-2272, was used as the positive control. Samples were diluted with an equal volume of 1 M Ammonium Acetate (pH 7) to neutralize samples for better chromatography. A 2×cGMP standard curve was prepared in 0.1 M HCl and then diluted with an equal volume of 1 M Ammonium Acetate, with the following final concentrations in nM: 1024, 512, 256, 128, 64, 32, 16, 8, 4, 2, 1. cGMP concentrations were determined from each sample using the LC/MS conditions (Table 2 below) and calculated standard curve. EC50 values were calculated from concentration-response curves generated with GraphPad Prism Software.
1458	1	Inhibition of HIV replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press.1990).
1459	1	Determination of Inhibitory Activity Against Factor IXa	Formation of a clot to stem bleeding at a site of blood vessel injury involves the coordinated activity of a group of plasma proteins that initiate and propagate fibrin formation and subsequently protect fibrin from premature degradation. Factor IX is a key component of the plasma system that forms a fibrin clot at a site of vascular injury. The activity of Factor IXa is measured by monitoring the cleavage of the fluorescent peptide, CH3SO2-D-CHG-Gly-Arg-AFC.AcOH (CHG is cyclohexyl-glycine and AFC is trifluoro aminomethyl coumarin). Factor IXa cleaves the amide bond between Arg and AFC, thereby releasing the AFC fluorophore. The free AFC can be detected with a fluorescence detector at an excitation wavelength of 405 nM and emission wavelength of 510 nM.
1460	1	BTK-POLYGAT-LS ASSAY	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 &#956;L aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, 1 pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 pL of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
1463	1	Determination of HIV-1 Reverse Transcriptase Inhibitory Activity	The heterodimeric nucleic acid substrate used in the HIV-1 RT polymerase reactions was generated by annealing the DNA primer, biotinylated pD500 (Sigma Aldrich, USA, 5&#8242;-biotin-ttg aaa tga ctg cgg tac ggc-3&#8242;), SEQ ID NO. 1 to the nucleotide RNA template t500 (derived from hepatitis C virus [HCV] sequence, IBA, Germany, 5&#8242;-GAG GUU CAG GUG GUU UCC ACC GCA ACA CAA UCC UUC CUG GCG ACC UGC GUC AAC GGC GUG UGU UGG ACC GUU UAC CAU GGU GCU GGC UCA AAG ACC UUA GCC GGC CCA AAG GGG CCA AUC ACC CAG AUG UAC ACU AAU GUG GAC CAG GAC CUC GUC GGC UGG CAG GCG CCC CCC GGG GCG CGU UCC UUG ACA CCA UGC ACC UGU GGC AGC UCA GAC CUU UAC UUG GUC ACG AGA CAU GCU GAC GUC AUU CCG GUG CGC CGG CGG GGC GAC AGU AGG GGG AGC CUG CUC UCC CCC AGG CCU GUC UCC UAC UUG AAG GGC UCU UCG GGU GGU CCA CUG CUC UGC CCU UCG GGG CAC GCU GUG GGC AUC UUC CGG GCU GCC GUA UGC ACC CGG GGG GUU GCG AAG GCG GUG GAC UUU GUG CCC GUA GAG UCC AUG GAA ACU ACU AUG CGG UCU CCG GUC UUC ACG GAC AAC UCA UCC CCC CCG GCC GUA CCG CAG UCA UUU CAA-3&#8242;), SEQ ID NO 2.). The HIV-1 RT wild-type enzyme (final concentration of 83 pM) was combined with an inhibitor or dimethyl sulfoxide (DMSO, 10% in the final reaction mixture) in assay buffer (62.5 mM Tris-HCl [pH 7.8], 1.25 mM dithiothreitol, 7.5 mM MgCl2, 100 mM KCl, 0.03% CHAPS, and 125 &#956;M EGTA). The mixture was then preincubated on an orbital shaker for 30 min at room temperature in microtiter plates (Costar 3365, Corning, USA). A polymerization reaction was initiated by the addition of RNA template/pD500 DNA primer hybrid (16.6 nM final of RNA/DNA hybrid) and dNTPs (2 &#956;M dATP, dGTP, dCTP and 66.6 nM Ru-dUTP (Meso Scale Discovery, USA)). Plate was sealed and incubated for 5-10 min at room temperature on an orbital shaker. Plate was then incubated for 90 min at 37° C. and reactions quenched with 60 &#956;l quenching buffer (50 mM EDTA, 0.7% BSA, 0.7% Tween-20, 0.017% sodium azide in PBS). The resulting solution was incubated at room temperature for an additional 5 min and then 50 &#956;L was transferred to pre-blocked Avidin plates (L15AA, Meso Scale Discovery). Each well of Avidin plate was blocked for 1 h at room temperature with 100 &#956;L 5% BSA in PBS. Blocking solution was removed by tapping vigorously on filter paper to remove all excess liquid. Reaction on pre-blocked avidin plate proceeded for 60 min at room temperature and then contents removed by tapping vigorously on filter paper to remove all excess liquid. After washing plate 3 times with 150 &#956;L 1×PBS and blotting dry between cycles, 150 &#956;L 1× Read Buffer T (4× Read Buffer T, Meso Scale Discovery) was added and incubated for 5 min at room temperature before counting on a Sector Imager S6000 (Meso Scale Discovery). Titration curves and IC50 values were calculated using a four parameter logistic fit according to standard procedures. Briefly, % Inhibition=100×((sample raw value)&#8722;(mean value of the low control or 0% inhibition))/((mean value of wells representing 100% inhibition)&#8722;(mean value of 0% inhibition)). In this assay, low control wells contain DMSO (0% inhibition) and 100% inhibition wells contain 1 &#956;M efavirenz.
1464	1	BDNA-assay	HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably integrated HBV, such as HepG2.2.15 cells (Sells et al. 1987). In this example, HepG2.2.15 cells were maintained in cell culture medium containing 10% fetal bovine serum (FBS), Geneticin, L-glutamine, penicillin and streptomycin. HepG2.2.15 cells could be seeded in 96-well plates at a density of 40,000 cells/well and be treated with serially diluted compounds at a final DMSO concentration of 0.5% either alone or in combination by adding drugs in a checker box format. Cells were incubated with compounds for three days, after which medium was removed and fresh medium containing compounds was added to cells and incubated for another three days. At day 6, supernatant was removed and treated with DNase at 37° C. for 60 minutes, followed by enzyme inactivation at 75° C. for 15 minutes. Encapsidated HBV DNA was released from the virions and covalently linked HBV polymerase by incubating in lysis buffer (Affymetrix QS0010) containing 2.5 ag proteinase K at 50° C. for 40 minutes. HBV DNA was denatured by addition of 0.2 M NaOH and detected using a branched DNA (BDNA) QuantiGene assay kit according to manufacturer recommendation (Affymetrix). HBV DNA levels could also be quantified using qPCR, based on amplification of encapsidated HBV DNA extraction with QuickExtraction Solution (Epicentre Biotechnologies) and amplification of HBV DNA using HBV specific PCR probes that can hybridize to HBV DNA and a fluorescently labeled probe for quantitation. In addition, cell viability of HepG2.2.15 cells incubated with test compounds alone or in combination was determined by using CellTitre-Glo reagent according to the manufacturer protocol (Promega). The mean background signal from wells containing only culture medium was subtracted from all other samples, and percent inhibition at each compound concentration was calculated by normalizing to signals from HepG2.2.15 cells treated with 0.5% DMSO using equation E1.
1465	1	JAK Enzyme Assays	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979)) modified for ATP-competitive inhibition [Ki=Ki,app/(1+[ATP]/Km,app)].
1468	1	 Viral Cytopathic Effect (CPE) Assay	To measure anti-RSV activity of compounds, 96-well plates are seeded with 6×103 cells per well in Dulbecco&#39;s modified Eagle&#39;s medium (DMEM) containing 10% fetal bovine serum (FBS). Cells are infected the next day with sufficient RSV Long strain (ATCC) to produce an approximately 80-90% cytopathic effect after 6 days, in the presence of serial half-log diluted compound in a total volume of 200 &#956;A per well. The viability of cells is assessed after 6 days using Cell Counting kit-8 (Dojindo Molecular Technologies). The absorbance at 450 nm and referenced at 630 nm is measured to determine 50% effective concentration (EC50)The compounds of the present invention were tested for their anti-RSV activity, and the activation as described herein. The Examples were tested in the above assay and found to have EC50 of about 0.0001 &#956;M to about 10 &#956;M. Particular compound of formula (I) were found to have EC50 of about 0.0001 &#956;M to about 1 &#956;M. Further particular compound of formula (I) were found to have EC50 of about 0.0001 &#956;M to about 0.1 &#956;M.
1470	1	TNF induced HEK-Blue assay	Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 &#956;M to 25 &#956;M. TNF&#945; (final concentration 0.5 ng/ml) or CD40L (final concentration 30 ng/ml) in assay buffer [DMEM, 4.5 g/l glucose (Gibco, Cat. 21063-029), 10% FBS (Sigma, F4135), 1% Penicillin-Streptomycin (Gibco, Cat. 15140-122), 1% Anti-Anti (Gibco, Cat. 15240-112) and 2 mM L-glutamine (Gibco, Cat. 25030-081)] was then added to the assay plate. After a 30 minute pre-incubation at 37° C. and 5% CO2, HEK-Blue-CD40L cells (InvivoGen, Cat. Code hkb-cd40) containing a NF-&#954;B-driven secreted alkaline phosphatase reporter gene were seeded into the assay plate at a density of 20,000 cells per well. This plate was then incubated for 18 h at 37° C. and 5% CO2. Secreted alkaline phosphatase expression was measured using QUANTI-Blue (InvivoGen, Cat. Code rep-qb1) according to manufacturer&#39;s specifications and the assay plate was read on a PerkinElmer Envision at 620 nm.Inhibition data for the test compound over a range of concentrations was plotted as percentage inhibition of the test compound (100%=maximum inhibition). IC50 values were determined after correcting for background [(sample read&#8722;mean of low control)/(mean of high control&#8722;mean of low control)] where by the low control is DMSO without stimulation and high control is DMSO with stimulation. The IC50 is defined as the concentration of test compound which produces 50% inhibition and was quantified using the 4 parameter logistic equation to fit the data.
1471	1	Ubitquin-Rhodamine 110 Assay for USP1 Activity	The HTS assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 M (DMSO(fc)=0.5%). The final concentration of the enzyme (USP1, construct USP1 (I-785, GG670, 671AA)/UAF1 (I-677)-Flag; Viva) in the assay was 100 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 10 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2×Ub-Rh110 or preincubated with USP1 40 minutes prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for 45 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech)For follow-up IC50 studies, each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.03% BGG (0.22 M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP1, construct USP1 (I-785, GG670, 671AA)/UAF1 (I-677)-Flag; Viva) in the assay was 25 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP1 for 30 minutes and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 minutes at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
1472	1	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 25 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). The histidine tag was cleaved after purification using standard conditions.
1472	2	JAK1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 12.5 nM JAK1 in a total volume of 25 &#956;L. JAK1 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4775).
1472	3	JAK2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM JAK2 in a total volume of 25 &#956;L. JAK2 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4288).
1472	4	JAK3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 2 nM JAK3 in a total volume of 25 &#956;L. JAK3 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4080).
1473	1	Inhibition Assay	10 &#956;L of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 &#956;L of a 5 &#956;g/mL human ENPP2 solution (buffer A: 100 mmol/L Tris-HCl (pH 9.0), 500 mmol/L NaCl, 5 mmol/L MgCl2, 0.05% Triton X-100) were mixed, 50 &#956;L of a 2 mmol/L 16:0-lysophosphatidylcholine (LPC) solution (buffer A) was further added to react at 37° C. for 24 hours. Subsequently, to 10 &#956;L of the reaction solution was added 90 &#956;L of a measurement buffer (0.5 mmol/L aminoantipyrine, 0.3 mmol/L N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline, 1 U/mL peroxidase, 3 U/mL choline oxidase, 100 mmol/L Tris-HCl (pH 8.5), 5 mmol/L CaCl2) to react at 37° C. for 20 minutes, and spectrophotometric determination was performed at 555 nm.Using a standard curve, a choline production amount (enzyme activity) in each test compound was calculated, and the inhibitory activity rate of each test compound was calculated, wherein the enzyme activity in a positive control to which a test compound is not added, was a 0% inhibition rate, and the enzyme activity in a negative control to which a test compound and human ENPP2 are not added, were 100% inhibition. 
1474	1	Cell-Based Assay	A stable CHO cell line expressing recombinant human 5-HT4 receptor and pCRE-Luc reporter system was used for cell-based assay. The assay offers a non-radioactive based approach to determine binding of a compound to GPCRs. In this specific assay, the level of intracellular cyclic AMP which is modulated by activation or inhibition of the receptor is measured. The recombinant cells harbor luciferase reporter gene under the control of cAMP response element.The above cells were grown in 96 well clear bottom white plates in Hams F12 medium containing 10% fetal bovine serum (FBS). Prior to the addition of compounds or standard agonist, cells were serum starved overnight. Increasing concentrations of test compounds were added in OptiMEM medium to the cells. The incubation was continued at 37° C. in CO2 incubator for 4 hours. Medium was removed and cells were washed with phosphate buffered saline. 
1475	1	M3 Binding Assay	Human M3 receptor membranes (15 &#956;g/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without test compounds, or a saturating concentration of Atropine (5 &#956;M) for the determination of non-specific binding. The assay is carried out in 96-well polypropylene plates in a volume of 250 &#956;l. The assay buffer used is 50 mM Tris-HCl, 154 mM NaCl (pH 7.4). The final assay concentration of DMSO is 0.5% (v/v). The plates are sealed and incubated for 2 h at room temperature on an orbital shaker (slow speed). Membranes are harvested onto 96-well unifilter GF/C filter plates pre-treated with 0.5% polyethyleneimine (v/v), using a filter manifold, washed four times with 200 &#956;l of assay buffer. The plates are dried before addition of 50 &#956;l of microscint-0, sealed then read in a Trilux Microbeta scintillation counter. IC50 values are determined from competition curves using a non-linear curve fitting program. Ki values are calculated from IC50 values by the Cheng and Prusoff equation.
1475	2	HTRF Assay	PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin Elmer. The assay is based on the competition between the europium (Eu) chelate-labeled cAMP tracer and sample cAMP for binding sites on cAMP-specific monoclonal antibodies (mAb) labelled with the ULight dye. The assay is carried out in 384-well low volume plates in a volume of 10 &#956;l. Human recombinant PDE4B2 (80 pM) is incubated for 2 h with 3 nM cAMP in buffer containing 1×HBSS, 5 mM HEPES, 3 mM MgCl2, 0.1% BSA, pH 7.4 with or without test compounds. The enzymatic reactions are efficiently stopped by the addition of 500 &#956;M IBMX present in the combined Stop/Detection buffer containing europium (Eu) chelate-labeled cAMP tracer and cAMP-specific monoclonal antibodies (mAb) labelled with the ULight dye. Samples are then further incubated for 1 h before plates are read at ex 340 nm and em at 665 nm and 615 nm on an EnVision reader. IC50 values are determined from competition curves using a non-linear curve fitting program.
1476	1	Biological Assay	The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art. Antagonist constants are determined as follows. The compounds of the present invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO dhfr-cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif.) are treated with various concentrations of antagonists of compounds and the Ca2+ response is monitored on a FLIPR384 (Molecular Devices, Sunnydale Calif.) for agonist activity. Then 2,500 nM glutamate is added and the antagonist response is monitored. The maximum calcium response at each concentration of compound for agonist or antagonist were plotted as dose responses and the curves were fitted with a four parameter logistic equation giving IC50 and Hill coefficient using the iterative non linear curve fitting software ADA (Merck & Co). 
1477	1	Enzymatic Activity Assay	The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate.G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy&#39;s 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &#956;g/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
1478	1	G402-Based Assay 	G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy&#39;s 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &#956;g/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
1479	1	SPA Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 ug/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM for 10 min at room temperature in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% Glycerol (Sigma Cat# G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined.
1480	1	Enzyme Assay	Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a baculovirus expression system. The subunits expressed were wild-type EZH2 (NM_004456) or EZH2 Y641F, N, H, S or C mutants generated from the wild-type EZH2 construct, EED (NM_003797), Suz12 (NM_015355) and RbAp48 (NM_005610). The EED subunit contained an N-terminal FLAG tag that was used to purify the entire 4-component complex from sf9 cell lysates. The purity of the complexes met or exceeded 95% as determined by SDS-PAGE and Agilent Bioanalyzer analysis. Concentrations of enzyme stock concentrations (generally 0.3-1.0 mg/mL) was determined using a Bradford assay against a bovine serum albumin (BSA) standard.General Procedure for PRC2 Enzyme Assays on Peptide Substrates. The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). In all cases, the final concentrations were as follows: wild-type or mutant PRC2 enzyme was 4 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. 
1484	1	In Vitro Assay	In vitro URAT1 assay can be used to identify compounds having potential activity for decreasing serum uric acid. In a suitable test, the vectors that encode human URAT1 (URAT1 cDNA: Guangzhou Copoeia EX-T4563-M02) were used to transfect cells (human embryonic kidney cells, HEK293: Cell Bank of the Chinese Academy of Sciences, GNHu18). The transfected cells HEK293/hURAT1 cells were obtained, then their uptake ability of radiolabeled uric acid was determined. The activity of the compounds as URAT1 inhibitors can be evaluated by the ability of the compounds to block the uptake of uric acid in the transfected cells.The HEK293/hURAT1 cells in Eagle&#39;s minimal essential medium (EMEM) were inoculated in a 48-well plate that was coated with poly-D-lysine (Becton Dickinson, Catalog No. 356509), with an inoculation density of 105 cells/well, and incubated overnight. A reaction solution containing 14C uric acid (American Radioactive Compound, Catalog No. ARC 0513A) with a final concentration of 11.57 &#956;M was prepared by the use or non-use of the test compounds in Hanks balanced salt solution (HBSS). The Hanks balanced salt solution (HBSS) contained 125 mM sodium gluconate, 4.8 mM potassium gluconate, 1.2 mM potassium dihydrogen phosphate, 1.2 mM magnesium sulfate, 1.3 mM calcium gluconate, 5.6 mM glucose and 25 mM HEPES (pH 7.3). After the medium was washed with the wash buffer (125 mM sodium gluconate, 10 mM HEPES, pH 7.3) for one time, the reaction solution prepared from the above step was added to each well and incubated at room temperature for 12 minutes. Then the reaction solution was removed, the cells were washed twice with the wash buffer and lysed with 0.2 M NaOH for 5 minutes. The cell lysate was transferred to a 96-well culture plate with a scintillation fluid (PerkinElmer, Catalog No. 1450-401), and counting of radioactivity was carried out on a Microbeta counter (PerkinElmer).
1485	1	LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay	In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). 
1486	1	In Vitro Inhibitory Assay	Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6×-His tag. Btk kinase activity was determined using a radiometric filter binding assay. Measurements are performed in a low &#956;L reaction volume 384-well assay plates. BTK enzyme (8 nM final in reaction), inhibitor (at requested doses), and 0.2 mg/mL peptide substrate (Poly-Glu-Tyr, 4:1 ratio) are incubated in a reaction buffer composed of 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO for 15 min. followed by addition of 1 &#956;M ATP to start the assay. Kinase reactions are carried out for 120 min. at RT. The reaction was stopped by spotting of reaction sample onto P81 cationic exchange paper (Whatman). Unbound phosphate was removed by extensive washing of filters in 0.75% Phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme (via addition of saturating EDTA), kinase activity data for each dose of compound tested was expressed as the percent of remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. 
1487	1	Inhibition Assay	Exemplary compounds of the invention were tested their inhibitory activity or potency against PI3K&#948; in 10-dose IC50 mode with 3-fold serial dilution starting at 1 &#956;M. The control compound, PI-103, was tested in the same conditions. Table 4 below summarizes the IC50 values that were collected against PI13K&#948; for compounds exemplified in this invention. All IC50 values were reported in unites of nM. An IC50 value less than 0.0508 nM or 0.508 nM, or higher than 1 mM or 10 mM was estimated based on the best curve fitting available. Empty cells indicate no inhibition or compound activity that could not be fit to an IC50 curve.As demonstrated in Table 4 below, many exemplary compounds of formula (I) and formula (II) are potent inhibitors of PI3K&#948;. Preferred compounds of the present invention possess an IC50 value for the inhibition of PI3K&#948; of less than 10 &#956;M, preferably less than 1 &#956;M, even more preferably less than 0.1 &#956;M, most preferably less than 0.05 &#956;M.
1488	1	FRET Assay	Methods: An HDM2 FRET assay was developed to assess the compounds&#39; inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with residues 17 to 125 (containing p53 binding surface, Science (1994) 265, 346-355), with N-terminal His and Thioredoxin tag was generated in pET32a expression vector and expressed in E. coli strain BL21(DE3)Rosetta. Protein was purified using Ni-affinity chromatography, followed by size exclusion chromatography using Superdex 75 26/60 column. To assess inhibition of p53 binding to HDM2, a FITC labeled 8-mer peptide (SEQ ID NO:1: Ac-Phe-Arg-Dpr-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2; Anal Biochem. 2004 Aug. 1; 331(1):138-46) with strong affinity towards the p53 binding pocket of HDM2 was used. The HDM2 assay buffer contained 1× Phosphate Buffered Saline (Invitrogen, Cat#14190), 0.01% BSA (Jackson ImmunoResearch, Cat#001-000-162), 0.01% Tween-20. In the 1× assay buffer recombinant HDM2 protein, peptide and Lumi4-Tb Cryptate-conjugate mouse anti-6×His antibody (cisbio, Cat#Tb61HISTLB) were added and transferred to ProxiPlate PLUS (PerkinElmer, Cat#6008269), containing compounds so that final DMSO concentration is 0.1%. Final concentrations of reagents in the assay wells are 0.5 nM HDM2, 0.25 nM anti HIS (Tb label) antibody and 3 nM peptide. After two hour incubation at room temperature in a humidified chamber plates were read on EnVision plate reader with the following settings: excitation: UV, 340 nM, two emission filters: 520 nm and 495 nm respectively. Ratio of em520/em495 was used to calculate % inhibition and to obtain IC50 with 4-parameter logistic equation.
1489	1	Rat and Human Orexin 1 Receptor Radioligand Binding Assay	Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1× Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;800 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1489	2	Human Orexin 2 Receptor Radioligand Binding Assay	HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 40° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;800° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
1490	1	PDE4 Assay	Human recombinant PDE4 (Genbank accession no NM_006203) was incubated for 1 hour, with the test compound at concentrations up to 10 &#956;M, with cAMP (1×10-5M), and with a low amount (0.021 MBq) of radioactively labelled cAMP. At the end of the incubation, the cleavage of the substrate was evaluated by the binding of the AMP product to SPA beads, which generate chemoluminescence when bound to the radioactive tracer. The AMP product inhibited the binding of the radioactive tracer to the beads, and the luminescent signal was competed.
1493	1	Enzyme Inhibitory Assay	HEPES buffered saline (20 mM HEPES, 150 mM NaCl, pH 7.4; hereinafter, referred to as HBS) was used in the preparation of a reaction solution. To 12 &#956;L of a 250 &#956;g/mL TAFI solution, 30 &#956;L of an HBS solution containing 4 U/mL human thrombin, 12 U/mL rabbit lung thrombomodulin, and 12 mM CaCl2 was added, and the mixture was gently stirred. Then, TAFI was activated at room temperature. Ten minutes later, thrombin was neutralized by the addition of 10 &#956;L of 100 &#956;M PPACK (thrombin inhibitor) to terminate the activation of TAFI. The formed TAFIa was stored in ice and diluted immediately before use in determination with 2050 &#956;L of an HBS solution containing BSA (bovine serum albumin) adjusted to 0.1% in terms of the final concentration. A test substance was dissolved in HBS to prepare a 10-fold dilution series of evaluation concentrations. 80 &#956;L of the TAFIa solution and 10 &#956;L of the test substance were added to each well of a 96-well plate and mixed by shaking for 10 minutes. 10 &#956;L of furylacryloyl-alanyl-lysine (FAAK) adjusted to 5 mg/mL was added to each well, and the change in the absorbance of this mixed solution at 330 nm was read for 30 minutes to determine the degradation rate of the substrate.
1494	1	Inhibition Assay	Assays were conducted in a volume of 76 &#956;l assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a standard 384-well plate: To 25 ul of substrate mix (8 uM NADPH, 2 mM aKG), 1 &#956;l of test compound was added in DMSO. The plate was centrifuged briefly, and then 25 &#956;l of enzyme mix was added (0.2 &#956;g/ml IDH1 R132H) followed by a brief centrifugation and shake at 100 RPM. The reaction was incubated for 50 minutes at room temperature, then 25 &#956;l of detection mix (30 &#956;M resazurin, 36 &#956;g/ml) was added and the mixture further incubated for 5 minutes at room temperature. The conversion of resazurin to resorufin was detected by fluorescent spectroscopy at Ex544 Em590 c/o 590.
1495	1	Enzyme Assay	P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700 respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms.
1496	1	Enzyme Assay	The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of the enzyme to cleave the peptide bond of arginyl-aminomethylcoumarin (Arg-AMC). LTA4H Enzyme (1 nM final), Arg-AMC substrate (50 &#956;M final), and compound are combined in a reaction buffer (50 mM Tris-HCl (pH 7.5), 100 mM KCl, 0.5% bovine serum albumin) at room temperature for 1 h. The formation of product is assessed by measuring the fluorescence of aminomethylcoumarin product (excitation wavelength 380 nm/emission wavelength 460 nm). 
1497	1	Biological Assay	HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 &#956;g/ml geneticin and 50 &#956;g/ml hygromycin. Appropriate positive control chemokines (MCP-1, MIP1A or RANTES) was used as the positive control agonist for screening compound-induced calcium activity assayed on the FLIPRTetra. The drug plates were prepared in 384-well microplates using the EP3 and the MuItiPROBE robotic liquid handling systems.
1499	1	Inhibition Assay	The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO had been added instead of the test substance to be 0%, and the reaction value of the well to which DMSO had been added instead of the test substance and a GTP assay buffer had been added instead of the DAMGO solution to be 100%, and a value that represented 50% inhibition was deemed as IC50 from the concentration-reaction curve.
1500	1	Competition Assay	Prior to these competition studies, a series of saturation curves were performed in order to check whether the pharmacological parameters Kd, Bmax and the Hill Coefficient of [3H]-GR113808, obtained in our experimental conditions, are consistent with those published in the literature. For that purpose, 7.5 &#956;g/&#956;L membrane preparation samples are incubated in duplicate (50 mM HEPES buffer, pH 7.4, +37° C.) at +37° C. for 30 minutes, in the presence of 7 increasing concentrations (0.05-1.5 nM, 200 &#956;l of final volume) of [3H]-GR113808 (Grossman et al., 1993). Using a Brandel Cell Harvester, the binding of the radioligand with the proteins is interrupted by rapid filtration of the incubation medium through a filter strip (WHATMAN GF/B FP-100) pre-incubated in polyethylenimine (PEI 0.5% in water); filtration is followed by 3 rinses with 4 ml of 50 mM HEPES buffer, pH 7.4, at +4° C. The non-specific binding of [3H]-GR113808 is quantified in the presence of 30 &#956;M of serotonin, specific binding thus being estimated as the difference: (binding in the absence of serotonin)&#8722;(binding in the presence of serotonin).
1500	2	Inhibition Assay	Acetylcholinesterase extracted from human erythrocytes (buffered aqueous solution, &#8807;500 units/mg, Sigma Aldrich) is diluted in a 20 mM HEPES buffer pH8, 0.1% Triton X-100, to obtain a standard solution with 2.5 units of enzyme activity/ml. 100 &#956;L of a 0.3 mM 5,5-dithiobis(2-nitrobenzoic acid) (DTNB) solution in a pH 7.4 phosphate buffer are introduced into a 96-well plate, followed by 50 &#956;L of compound to be tested in solution in DMSO and 50 &#956;L of enzyme solution. After 5 min of preincubation, the reaction is initiated by injecting 50 &#956;L of 10 mM acetylthiocholine iodide solution. Hydrolysis of the acetylthiocholine is followed by the formation of the anion 5-thio-2-nitrobenzoate, produced by the reaction of the DTNB with the thiocholine released by the enzymatic hydrolysis of the acetylthiocholine, by means of a microplate reader (TECAN Infinite M200, Lyon, France) at a wavelength of 412 nm per minute for 10 minutes. Donepezil is used as a reference product.
1501	1	Spa Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromotography. 50 nM ROR&#947; (A262-S507) is incubated with test compound at varying concentrations for 15 min at room temperature in PBS buffer containing 0.5% fatty acid free BSA. 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 15 min. 4 mg/mL of Ysi Copper HIS-TAG SPA Beads (Perkin Elmer) are added, and the mixture is incubated for 30 min. The reaction is read on a MicroBeta Trilux scintillation plate reader (Perkin Elmer). 
1502	1	Homogeneous Time-Resolved Fluorescence (HTRF)	In vitro inhibition of 11&#946;-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluorescence) technology (cisbio international, France) detecting cortisol generated from cortisterone by human liver microsomes. Briefly, compounds are incubated for 1 hour at 37° C. in Tris buffer (20 mM tris, 5 mM EDTA, pH 6.0) containing NADPH (20011M) and cortisone (80 nM). Cortisol generated in the reaction is then detected with a competitive immunoassay, involving two HTRF conjugates: cortisol linked to XL665 and anti-cortisol antibody labeled with Europium cryptate. The incubation period for detection reaction is typically 2 hours. The amount of cortisol is determined by reading the time-resolved fluorescence of the wells (Ex 320/75 nm; Em 615/8.5 nm and 665/7.5 nm). The ratio of the two emission signals is then calculated (Em665*10000/Em615). Each assay contains incubations with vehicle controls instead of compound as controls for non-inhibited cortisol generation (100% CTL; high values) and incubations with carbenoxolone as controls for fully inhibited enzyme and cortisol background (0% CTL; low values). Each assay also contains a calibration curve with cortisol to transform the fluorescent data into cortisol concentrations.
1503	1	IN-VITRO FLUORESCENCE ASSAY	In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent group (MCA=(7-methoxycoumarin-4-yl)acetyl) which is quenched by energy transfer from a Dpn (2,4 dinitrophenyl) group on the same molecule, in Greiner 384-well nb microtitre plates. Cleavage of the peptidic substrate by cathepsin D causes an increase in the fluorescence intensity. In order to determine the efficacy of substances, the time-dependent increase in the fluorescence intensity in the presence of the substance was compared with the time-dependent increase in fluorescence in the absence of substances. The reference substance used was pepstatin A (Sigma-Aldrich). The substrate used was MCA-GKPILFFRLK(Dnp)d-R&#151;NH2 (Enzo Life Sciences, L rach). The enzyme employed was cathepsin D isolated from the human liver (Sigma-Aldrich) in a final concentration of 1.4 nM. The test was carried out in 100 mM sodium acetate buffer, 1.25% (v/v) of DMSO, 0.25% (w/v) of Chaps, pH 5.5. 2 &#956;l of each substance solution with serially diluted substance concentration were added to in each case 4 &#956;l of cathepsin D solution and incubated at room temperature for 10 min. The reaction was started by addition of 2 &#956;l of substrate solution (final concentration 5 &#956;M). After carrying out a starting-point fluorescence measurement (excitation wavelength 340 nm/emission wavelength 450 nm) using an Envision multilabel reader (Perkin Elmer), the reaction was incubated at room temperature for 60 min. The amount of peptide fragment cleaved off during the reaction time was subsequently measured by determination of the increase in the fluorescence intensity at 450 nm (excitation wavelength 340 nm).
1509	1	Binding Assay	This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing &#945;2&#948;-1 and its use for profiling compounds (Calvo et al (2012) J. Biomol. Screen. 17:1041-1049).Human Cav1.2/&#946;3/&#945;2&#948;-1 Calcium Channel Membranes (Chantest) were thawed on ice, aliquotted and stored at &#8722;80° C. for subsequent use. Membranes were diluted to 200 &#956;g/ml (3 &#956;g/well final assay concentration (FAC)) in assay buffer (10 mM HEPES (Sigma), (pH7.4)). The [3H]GBP (Perkin Elmer) stock solution was stored at &#8722;20° C. [3H]GBP was diluted to 40 nM (10 nM FAC) in assay buffer. SPA beads (Perkin Elmer) were re-suspended at 100 mg/ml in 10 mM HEPES (pH 7.4). Beads were diluted to 40 mg/ml (0.6 mg/well FAC) in assay buffer. Nonspecific binding (NSB) was generated using an excess of pregabalin (Tocris). Pregabalin was solubilized in Milli-Q H2O at 10 mM. 10 mM pregabalin was diluted to 400 &#956;M (100 &#956;M FAC) in assay buffer.Compounds were diluted to 100 &#956;M then half log diluted. These were then diluted 1:100 in assay buffer to a 4× assay concentration (1 &#956;M FAC top dilution).SPA beads 15 &#956;l; membranes 15 &#956;l; pregabalin or assay buffer/test compound 15 &#956;l and [3H]GBP 15 &#956;l were added to a white 96 well isoplate, (Perkin Elmer). The assay plate was sealed and mixed for 10 s on a plate shaker then placed into a plate rack and slotted into the reader stacker. The plate was incubated overnight (20 hours) then read on a 1450 MicroBeta TriLux Microplate Scintillation and Luminescence Counter at ambient room temperature (RT).
1510	1	Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate. Biotinylated product is bound streptavidin sepharose beads. All bound, radiolabeled products are detected by scintillation counter.Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 &#956;m hydrophilic PVDF filter plates (Millipore). Concentrations reported here are final assay concentrations: 10-100 &#956;M compounds in DMSO (Burdick and Jackson), 5-10 nM BTK enzyme (His-tagged, full-length), 30 &#956;M peptide substrate (Biotin-Aca-AAAEEIYGEI-NH2), 100 &#956;M ATP (Sigma), 8 mM imidazole (Sigma, pH 7.2), 8 mM glycerol-2-phosphate (Sigma), 200 &#956;M EGTA (Roche Diagnostics), 1 mM MnCl2 (Sigma), 20 mM MgCl2 (Sigma), 0.1 mg/ml BSA (Sigma), 2 mM DTT (Sigma), 1 &#956;Ci 33P ATP (Amersham), 20% streptavidin sepharose beads (Amersham), 50 mM EDTA (Gibco), 2 M NaCl (Gibco), 2 M NaCl w/1% phosphoric acid (Gibco), microscint-20 (Perkin Elmer).
1511	1	Enzyme-Linked Immunosorbent Assay	Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK activation are well known and kits for AMPK activation assays are commercially available. 
1512	1	Biological Assay	The binding affinity of the compound of this invention to human 5-HT6 receptor expressed in CHO cell was evaluated by radioligand binding assay as follows.32 &#956;g membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, the compound of the present invention having different test concentrations and a buffer solution were mixed uniformly, and the resulting mixture was incubated at 37° C. for 120 mins, in which the buffer solution was comprised of 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2, 0.5 mM EDTA, 10 &#956;M pargyline and 20 mg/L protease inhibitor.100 &#956;M of 5-HT was added to the mixture to eliminate nonspecific binding sites. After incubation, the resulting mixture was filtered with glassfabricfilter in vacuo, and the glassfabricfilter should be preimpregnated with 0.3% PEI before filtering and washed with 50 mM of Tris-HCl several times after filtering. After the filter was dried, the radioactivity of the scintillation mixture was determined by liquid scintillation counting with a scintillometer. The reference standard was 5-HT, and IC50 values were calculated from plots of competitive inhibition curves formed based on several inhibition ratios and the corresponding compound concentrations.
1513	1	Biochemical TR-FRET assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 &#956;g/mL bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per &#956;l in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 &#956;l SF9 lysate per 15 &#956;l of diluted ROR&#947;-LBD.
1514	1	Caliper Assay	CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was run on an EZ Reader II (Caliper Life Sciences Ltd, Runcorn, UK) using separation buffer (#760367 Caliper LS) containing CR-8 (500 nM, #760278, Caliper LS). An ECHO 550 (Labcyte Inc) acoustic dispenser was used to generate duplicate 8 pt dilution curves directly into 384 polypropylene assay plates (Greiner Bio-One, Gloucestershire, UK). For each test compound a 50 &#956;M stock concentration in 100% DMSO was used. The total amount of DMSO dispensed per well was 250 nL to give a final assay concentration of 2.5% DMSO and test compound concentrations in the range 0.5-1000 nM. To this assay plate, 6 &#956;L CHK1 (2 nM final concentration, in-house protein preparation), 2 &#956;L peptide 10 (5-FAM-KKKVSRSGLYRSPSMPENLNRPR COOH, 1.5 &#956;M final concentration, #760354 Caliper LS) and 2 &#956;L ATP (90 &#956;M final concentration) all diluted in kinase buffer (HEPES 50 mM, NaN3 0.02%, BSA 0.01%, sodium orthovanadate 0.1 mM, DTT 1 mM, MgCl2 2 mM, Tween 20 0.1%) were added. The plate was sealed and centrifuged (1 minute, 1000 rpm) before incubation for one hour at room temperature. The reaction was stopped by the addition of separation buffer (90 &#956;L). The plate was read on an EZ Reader II, using a 12-sipper chip (760137-0372R, Caliper LS) with instrument settings of 1.5 psi and 1750 &#916;V. The percentage conversion of product from substrate was generated automatically and the percentage inhibition was calculated relative to blank wells (containing no enzyme and 2.5% DMSO) and total wells (containing all reagents and 2.5% DMSO). 
1515	1	Biological Assay	The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art. Antagonist constants are determined as follows. The compounds of the present invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO dhfr-cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif.) are treated with various concentrations of antagonists of compounds and the Ca2+ response is monitored on a FLIPR384 (Molecular Devices, Sunnydale Calif.) for agonist activity. Then 2,500 nM glutamate is added and the antagonist response is monitored. The maximum calcium response at each concentration of compound for agonist or antagonist were plotted as dose responses and the curves were fitted with a four parameter logistic equation giving IC50 and Hill coefficient using the iterative non linear curve fitting software ADA (Merck & Co). 
1516	1	Nav 1.7 In Vitro Patch Express (PX) Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to &#8722;10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition. Three to five cells were tested per concentration, and IC50 curves were fitted to percent inhibition as a function of concentration.
1516	2	Nav 1.5 In Vitro PX Assay	293 cells stably transfected with human Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system according the manufacturer&#39;s specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Cells were held at a holding potential of &#8722;50 mV to inactivate sodium channels. To elicit sodium currents the voltage was changed to &#8722;120 mV to recover a portion of the channels, followed by delivery of test pulses of 20 msec duration to 0 mV, at 0.1 Hz. A single concentration of test compound was applied to cells for a duration of 5 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition. A minimum of two cells were tested per concentration. 
1518	1	Mps-1 Kinase Assay 	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Mps-1 in assay buffer [0.1 mM sodium-ortho-vanadate, 10 mM MgCl2, 2 mM DTT, 25 mM Hepes pH 7.7, 0.05% BSA, 0.001% Pluronic F-127] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to Mps-1 before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of 16.7 adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and peptide substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Mps-1 in the assay was adjusted to the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical enzyme concentrations were in the range of about 1 nM (final conc. in the 5 &#956;l assay volume). The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (100 mM Hepes pH 7.4, 0.1% BSA, 40 mM EDTA, 140 nM Streptavidin-XLent [#61GSTXLB, Fa. Cis Biointernational, Marcoule, France], 1.5 nM anti-phospho(Ser/Thr)-Europium-antibody [#AD0180, PerkinElmer LAS, Rodgau-J gesheim, Germany].
1519	1	In Vitro Binding Assay	I. Master Stock SolutionUnless specified otherwise, the sample compounds were diluted in 100% anhydrous DMSO including all dilutions. The compounds were tested as the citrate salt (1 equivalent per molecule). If the sample compound is provided in a different solvent all master stock dilutions are performed in the specified solvent. All control wells contained identical solvent final concentrations as the sample compound wells.II. Compound Plate AssayThe sample compounds were transferred from a master stock solution into a daughter plate that was used in the assay. Each sample compound was diluted into an assay buffer (1×HBSS with 20 mM HEPES, 2.5 mM Probenecid, and 0.4% Free Fatty Acid BSA) at an appropriate concentration to obtain final specified concentrations.III. Antagonist Assay FormatUsing the EC80 values that were determined real-time, stimulated all pre-incubated sample compounds and reference antagonists (if applicable) were compared with the EC80 values of reference agonist. These were read for 180 seconds using the FLIPRTETRA (This assay added reference agonist to respective wells-then fluorescences measurements were collected to calculate IC50 values). 
1520	1	Fluorescence Polarization Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE10 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described as follows, such as papaverine (see Siuciak, et al. Neuropharmacology (2006) 51:386-396; Becker, et al. Behav Brain Res (2008) 186(2):155-60; 
1521	1	Binding Assay 	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). 
1522	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [&#947;-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK (SEQ. ID NO: 1)).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction was stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate was washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
1523	1	Biological Assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing any recombinant protein were lysed and the lysate was added to the purified ROR&#947;-LBD at 0.25 &#956;l lysate (from 10,000 SF9 cells)/nM purified protein. The mixture was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT) to obtain ROR&#947;-LBD final concentration of 3 nM in 384-well assay plate.
1524	1	Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay	For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally His6-tagged BRD4(1) (amino acids 44-168) and a synthetic acetylated histone H4 (Ac-H4) peptide with sequence GRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHGSGSK-biotin. The recombinant BRD4 protein produced in-house according to Filippakopoulos et al., Cell, 2012, 149:214-231 was expressed in E. coli and purified by means of (Ni-NTA) affinity and (Sephadex G-75) size exclusion chromatography. The Ac-H4 peptide can be purchased, for example, from Biosyntan (Berlin, Germany).In the assay, typically 11 different concentrations of each substance (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were analysed as duplicates on the same microtitre plate. For this purpose, 100-fold concentrated solutions in DMSO were prepared by serial dilutions (1:3.4) of a 2 mM stock solution into a clear, 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany). From this, 50 nl were transferred into a black test plate (Greiner Bio-One, Frickenhausen, Germany). The test was started by the addition of 2 &#956;l of a BRD4 solution of 2.5 times the concentration (final concentration typically 10 to 50 nM in the 5 &#956;l of reaction volume) in aqueous assay buffer [50 mM HEPES pH 7.5, 50 mM sodium chloride (NaCl), 0.25 mM CHAPS and 0.05% bovine serum albumin (BSA)] to the substances in the test plate. This was followed by a 10-minute incubation step at 22° C. for the pre-equilibration of putative complexes between BRD4 and the substances. Subsequently, 3 &#956;l of a solution of 1.67 times the concentration (in assay buffer) consisting of Ac-H4 peptide (83.5 nM) and TR-FRET detection reagents [16.7 nM anti-6His-XL665 and 3.34 nM streptavidin cryptate (both from Cisbio Bioassays, Codolet, France), and 668 mM potassium fluoride (KF)] were added.
1525	1	HTRF Assay 	The UAE enzymatic reaction totals 50 &#956;L and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiquitin, 1 nM recombinant human UAE or mouse UAE. Compounds for this hUAE 1050 assay are tested at 10 point 3-fold dilution. The top concentration for this assay is 1 &#956;M. Each compound is ordered in duplicate on the same plate. The enzymatic reaction mixture is incubated for 90 minutes at room temperature (24 degrees C.) in a 384 well plate prior to termination with a stop solution (0.1 M HEPES/0.05% Tween20, 20 mmol EDTA, 410 mM KF, 0.5 nM Eu Cryptate anti-FLAG M2-K antibody (Cis-bio International), 8 ug/mL Anti-GST XL-APC (Prozyme)). After incubation for 120 minutes, quantification of the FRET is performed on the Pherostar (BMG).
1526	1	Caliper Enzyme Assay	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
13163	1	KRAS G12D&SOS1 Binding Assay	The positive inhibitor and test compounds (10 mM storage solution) were diluted by a 3-fold gradient with 100% DMSO. Transfer 2 μL diluted compound to an 18 μL diluent and mix thoroughly. Take 2 μL of the diluted compound into a 384-well plate and repeated twice for each sample. Centrifuge 384 well plates at 1000 rpm and add 4 μL of KRAS G12D&GTP mixture into each well, followed by 4 μL of SOS1, and incubate for 15 minutes. Then 10 μL of Tag-Tb and Tag-XL665 were added and incubated at 4° C. for 3 hours. The HTRF (665 nM and 615 nM) signals were read using BMG. With the log value of concentration as the X-axis and 665 nM/615 nM as the Y-axis, Y=Bottom+(Top-Bottom)/(1+10∧((LogIC50-X)*HillSlope)) was used to fit the dose-effect curve. The IC50 value of each compound on enzyme activity was obtained.
13164	1	hNav1.8 current inhibition	The Nav1.8 current is evoked by a 20 ms step voltage pulse to −10 mV from a holding potential of −80 mV at every 10 sec. The maximum amount of peak current size will be used to determine hNav1.8 current amplitude.
13165	1	COX-1/-2 enzyme assay	The ability of compounds to inhibit ovine COX-1 and human COX-2 is determined using a commercially available enzyme immunoassay (EIA) kit (catalog no. 701090 (COX-1); 701080 (COX-2) Cayman Chemical Co., Ann Arbor, MI, USA) according to the manufacturer&#39;s protocol. COX catalyzes the first step in the biosynthesis of AA to PGH2. PGF2α, produced from PGH2 by reduction with stannous chloride, was measured by EIA (ACE™ competitive EIA, Cayman Chemical, Ann Arbor, MI, USA). Briefly, to a series of supplied reaction buffer solutions [960 μl 0.1 M Tris-HCl (pH 8.0) containing 5 mM EDTA and 2 mM phenol] with either COX-1 or COX-2 (10 μl) enzyme in the presence of heme (10 μl), 10 μl of various concentrations of test drug solutions are added. These solutions are incubated for 15 min at 37° C. and subsequently 10 μl AA solution (100 μM) is added. The COX reaction is stopped by the addition of 30 μl stannous chloride after 2 min, mixed immediately, supernatants are 2000-fold diluted. The produced PGF2α is measured by EIA. This assay is based on the competition between PGs and a PG-acetylcholinesterase conjugate (PG tracer) for a limited amount of PG antiserum. The amount of PG tracer that is able to bind to the PG antiserum is inversely proportional to the concentration of PGs in the wells since the concentration of the PG tracer is held at a constant while the concentration of PGs varies. The specific antiserum-PG complex binds to a mouse anti-rabbit IgG that had been previously attached to the well. The plate is washed to remove any unbound reagents and 200 μl Ellman&#39;s reagent (5,5′-dithiobis-(2-nitrobenzoic acid), which contains the substrate to acetylcholine esterase, is added to the well. The product of this enzymatic reaction generates a distinct yellow color that absorbs at 406 nm. The intensity of this color, determined by spectrophotometry, is proportional to the amount of PG tracer bound to the well, which is inversely proportional to the amount of PGs present in the well during the incubation. Percent inhibition is calculated by the comparison of the compounds treated to the various control incubations. Dose-response curves are generated using XLFit (IDBS, Surrey, UK) or Prism (GraphPad Software, La Jolla, CA, US) to calculate IC50 values for each compound tested.
1532	1	Inhibition Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.
1533	1	Inhibition Assay	The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 &#956;M to 10 &#956;M.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×106 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.
1534	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
1535	1	Radioligand Binding Assay on Rat	HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 &#956;M to 10 &#956;M) in duplicates. The test compounds (20 &#9633;&#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 &#956;g protein per ml) added.
1535	2	Radioligand Binding Assay on Mouse	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 &#956;M to 10 &#956;M) in duplicates. The test compounds (20 &#9633;&#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 60 protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
1536	1	Human Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
1537	1	p38 MAPK&#945; Enzyme Inhibition	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) was then added and the kinase reaction was initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture was incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1537	2	p38 MAPK&#947; Enzyme Inhibition	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), were evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) was incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) was then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
1537	3	GSK 3&#945; Enzyme Inhibition	The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) were then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1537	4	c-Src and Syk Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) was incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) were then added to the enzyme/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1538	1	Inhibition on PI3K Kinase Activity	The activity of purified kinase was detected with Kinase-Glo Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the solution after the kinase reaction was completed. Kinase reaction was performed in a 384-well white plate (Greiner), 1 &#956;L of tested compound or control DMSO was added into each well containing 5 &#956;L reaction buffer [10 mM Tris-HCl pH 7.5, 50 mM NaCl, 3 mM MgCl2.1 mM DTT (dithiothreitol), 0.05% CHAPS (3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate, 3-(3-cholaminopropyl)-dimethylamino-1-propanesulfonic acid), and the reaction buffer was supplemented with 12 &#956;M of substrate, D-myo-Phosphatidylinositol-4,5-bisphosphate (4,5-phosphatidyl inositol diphosphate) and 2 &#956;M ATP (adenosine triphosphate). And then 4 &#956;L reaction buffer containing 62.5 nM PI3K&#945; or non-PI3K&#945; control was added to initiate the kinase reaction. After reaction was performed for 1 hour at room temperature, 10 &#956;L of Kinase Glo-Plus mixture was added and incubated for 1 hour to quench the reaction. The chemiluminescence value was detected with EnVision 2104 multifunctional microplate reader (Perkinelmer).
1543	1	Receptor Assay	Compounds were evaluated for &#963;-1 and &#963;-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were incubated for 120 min at 25° C. in 50 mM Tris-HCl, pH 8.0 with 500 &#956;g membrane protein, and 5 nM [3H](+)-pentazocine (for &#963;1 assays) or 3 nM [3H]DTG plus 300 nM (+)-pentazocine (for &#963;2 assays); non-specific binding was determined in the presence of 10 &#956;M haloperidol. The assays were terminated with ice-cold 10 mM Tris-HCl, pH 8.0, followed by two washes through glass fiber filters that were pre-soaked for at least 30 min in 0.5% polyethyleneimine.
1552	1	In Vitro Assay	Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 50 uM PLP in assay buffer (100 mM potassium phosphate pH 7.6) in 96 well plates in total volume of 190 ul. Plates were incubated for 30 minutes at room temperature before the addition of 10 ul of 200 mM (20× final in assay buffer) DL-Homocysteine substrate to each well. Plates were incubated at 37 C for 3 hours. 50 ul 20 mM DMPDA in 7.2N HCl was added to each well followed by 50 ul 30 mM FeCl3 in 1.2N HCl. Plates were incubated for 10 minutes with shaking at room temperature and then absorbance at 671 nm read in Promega GloMax microplate reader.
1556	1	Inhibitory Assay	An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003)). Briefly, ED was incubated in a reaction mixture containing 20 mM MES pH 6, 2 mM MgCl2, 125 &#956;M inhibitor, 3.4 mM para-nitrophenol phosphate (pNPP) and 0.01 &#956;g/&#956;L enzyme. The amount of 4-nitrophenol (pNP) produced was monitored at 405 nM on a BioTek EL808 plate reader. A similar protocol was used to screen for inhibitor activity using hEYA3 and hEYA2(ED).The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and diluted as needed. IC50 values were determined by adding varying amounts of inhibitor (0-400 &#956;M) to reaction mixtures containing 20 mM MES pH 6, 2 mM MgCl2, 2% DMSO, 3.4 mM pNPP, and 0.01 &#956;g/L enzyme. Reactions were incubated at 30° C. for 30 minutes and quenched with 100 mM EDTA pH 10. IC50 values were then calculated directly from regression curves using PRISM software. All reported values are the mean of two independent experiments.These results were mirrored when an alternate substrate, a 10 amino acid phosphopeptide representing the C-terminus of the known EYA substrate &#947;-H2AX (Cook, P. J. et al. Nature 458, 591-596, (2009); Krishnan, N. et al. J. Biol. Chem. (2009), the contents of which are incorporated by reference in their entireties). The phospho-peptide KKATQASQEpY (SEQ. ID 5) was obtained from Genscript. Peptide assays were conducted in 20 mM MES pH 6, 2 mM MgCl2, and a range of peptide concentrations from 0 to 300 &#956;M as previously described in the incorporated materials of Rayapureddi, J. P. (2003). IC50 values were then calculated using PRISM software.
1558	1	FLIPR Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 96-well fibronectin coated black-walled plates overnight at 37.degree. C./5% CO.sub.2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37.degree. C. Cells were washed 4 times (Original Cell Wash, Labsystems) to remove extracellular dye. Test compounds were reconstituted in 100% DMSO and added to the cells to give a final DMSO concentration of 0.1%. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 .mu M) or at concentrations ranging from 0.01 to 10.0 .mu M followed by VEGF stimulation (5 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 96 wells using a cooled CCD camera. Data were generated by determining max-min fluorescence levels for unstimulated, stimulated, and drug treated samples. IC.sub.50 values for test compounds were calculated from % inhibition of VEGF stimulated responses in the absence of inhibitor.
1558	2	Kinase Assay	The cytoplasmic domain of the human VEGF receptor (VEGFR-2) was expressed as a Histidine-tagged fusion protein following infection of insect cells using an His engineered baculovirus. His-VEGFR-2 was purified to homogeneity, as determined by SDS-PAGE, using nickel resin chromatography. Kinase assays were performed in 96 well microtiter plates that were coated overnight with 30 .mu g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.2-7.4. The plates were incubated with 1% BSA and then washed four times with PBS prior to starting the reaction. Reactions were carried out in 120 .mu L reaction volumes containing 3.6 .mu M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl.sub.2, 0.1 mM MnCl.sub.2 and 0.2 mM Na.sub.3 VO.sub.4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 0.5 ng of purified protein. Following a ten minute incubation at 25.degree. C., the reactions were washed four times with PBS containing 0.05% Tween-20. 100 .mu l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate was diluted 1:10000 in PBS-Tween-20 and added to the wells for 30 minutes. Following four washes with PBS-Tween-20, 100 .mu l of O-phenylenediamine Dihydrochloride in Phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 .mu l of 2.5N H.sub.2 SO.sub.4 to each well and read using a microplate ELISA reader set at 492 nm. 
1559	1	FLIPR Ca2+ Flux Assay	The following table shows representative data for the compounds of the Examples as orexin receptor antagonists as determined by the FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm., 2001, 280:976-981). Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor (hOX1R) or the human orexin-2 receptor (hOX2R) were grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells were seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates were incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A, used as the agonist, was prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds were prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer.On the day of the assay, cells were washed 3× with 100 &#956;l assay buffer and then incubated for 60 minutes (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution was then aspirated and cells were washed 3× with 100 &#956;l assay buffer. 30 &#956;l of that same buffer was left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds were added to the plate in a volume of 25 &#956;l, incubated for 5 minutes, and then 25 &#956;l of agonist was added. Fluorescence was measured for each well at 1 second intervals for 5 minutes, and the height of each fluorescence peak was compared to the height of the fluorescence peak induced by 70 pM of Ala-6,12 orexin-A with buffer in place of test compound. 
1560	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 75-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
1561	1	Cyp17 Assay 	Cyp17 assay protocol: AD293 cells that stably over-express recombinant CYP-17 were seeded in 96 well plates coated with poly D-lysine (15,000 cell per well) and incubated at 37° C. for 24 hours in Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment. The media is then removed, the cells are washed once with Phosphate buffer saline solution, and 50 &#956;L Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment is added. Compounds of the disclosure are then added to the wells in eight concentration spanning 10 &#956;M to 4.5 nM, and the plates are incubated for an additional 60 minutes at 37° C. [21-3H] 17&#945;-hydroxyl-Pregnenolone is then added (50 nCi per well, 31.25 nM) and the plates are incubated for an additional 4 hours at 37° C. The media is then collected, 200 &#956;L of chloroform is added, and the mixture is shaken for 1 hour. The aqueous layer is then separated and analyzed for the presence of 3H-acetic acid using a Perkin Elmer Topcount NXT to determine IC50s of the compounds of the disclosure.
1561	2	Cyp11 Assay 	Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell per well) and incubated at 37° C. for 24 hours in Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment. The media is then removed, the cells are washed once with Phosphate buffer saline solution, and 50 &#956;L Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment is added. Compounds of the disclosure are then added to the wells in eight concentration spanning 10 &#956;M to 4.5 nM, and the plates are incubated for an additional 60 minutes at 37° C. 11-deoxycortisol is then added (2.0 &#956;M) and the plates are incubated for an additional 12 hours at 37° C. After incubation, 50 uL of the supernatant (medium) is transferred into a fresh plate and 150 uL of an acetonitrile solution containing 200 ng/ml of Telmisartan is added. The sample is mixed and then placed in a centrifuge at 2000 rpm for 5 minutes. 100 uL of the supernatant is transferred into a fresh 96 well deep well plate, 100 uL of 1:1 methanol: water was added, the solution was mixed and then analyzed by LC/MS for the presence of cortisol using an Agilent 1200 RRLC/ABSCIEX API4000 LC-MS or Shimadzu Prominance/ABSCIEX API4000 LC-MS to determine IC50s of the compounds of the disclosure.
1561	3	Cyp21 Assay 	Cyp21 assay protocol: AD293 cells that stably over-express recombinant CYP-21 were seeded in 96 well plates coated with poly D-lysine (10,000 cell per well) and incubated at 37° C. for 24 hours in Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment. The media is then removed, the cells are washed once with Phosphate buffer saline solution, and 50 &#956;L Dulbecco&#39;s Modified Eagle Medium (DMEM) with Fetal Bovine Serum (FBS) that is stripped of hormones by charcoal treatment is added. Compounds of the disclosure are then added to the wells in eight concentration spanning 10 &#956;M to 4.5 nM, and the plates are incubated for an additional 60 minutes at 37° C. 17&#945;-OH Progesterone is then added (1.0 &#956;M) and the plates are incubated for an additional 45 minutes at 37° C. After incubation, 50 uL of the supernatant (medium) is transferred into a fresh plate and 150 uL of an acetonitrile solution containing 200 ng/ml of Telmisartan is added. The sample is mixed and then placed in a centrifuge at 2000 rpm for 5 minutes. 100 uL of the supernatant is transferred into a fresh 96 well deep well plate, 100 uL of 1:1 methanol: water was added, the solution was mixed and then analyzed by LC/MS for the presence of 11-deoxycortisol using an Agilent 1200 RRLC/ABSCIEX API4000 LC-MS or Shimadzu Prominance/ABSCIEX API4000 LC-MS to determine IC50s of the compounds of the disclosure.
1562	1	Vitro Enzymology Assay	EGFR, EGFR (T790M, L858R), HER2 kinase were expressed and purified through an insect cell expression system by the Department of Biology, Centaurus Biopharma, Beijing, or purchased from commercially available products.The platform for testing the kinase activity of EGFR, EGFR (T790M, L858R) and HER2 was established based on the homogeneous time-resolved fluorescence (HTRF) method provided by Cisbio Bioassays, and the activity of the compounds was determined with the platform. Starting from 100 nM (for EGFR and HER2) or 1 &#956;M (for EGFR-T790M/L858R), the compounds were diluted in gradient of 3 times with 100% DMSO. For each concentration, 4 &#956;L of solution was taken and added into 96 &#956;L of reaction buffer (50 mM 4-hydroxyethylpiperazineethanesulfonic acid (HEPES)(pH 7.0), 0.02% NaN3, 0.01% bovine serum albumin (BSA), 0.1 mM Sodium Orthovanadate, 5 mM MgCl2, 50 nM SEB (Cisbio, Cat No. 61SEBALB), 1 mM DTT). And 2.5 &#956;L of the mixture was taken, added into 384-well plates (OptiPlate-384, PerkinElmer), then 2.5 &#956;L of kinase was added, mixed thoroughly by centrifuge. Then 5 &#956;L of ATP and TK Substrate-biotin were added to initiate the reaction. The 384-well plates were incubated at 23° C. in an incubator for a certain period of time, then 5 &#956;L of Eu3+-Cryptate labeled TK-Antibody and 5 &#956;L of streptavidin-XL665 were added to stop the reaction. After 1 h incubation in an incubator, the fluorescence value was read on Envision (PerkinElmer). The IC50 value of the compound was calculated with the software GraphPad Prism 5.0.
13166	1	Compound Activity by Fluorescent Polarization Assay	Compound activity was monitored in a fluorescence polarization (FP) homogeneous assay using 1-[5-({2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido) ethoxy]ethyl}carbamoyl) pentyl]-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium-5-sulfonate as a fluorescent probe. Unless otherwise stated, all reagents were purchased from Sigma Aldrich. Enzymatic reactions were conducted in Perkin-Elmer Black 384 well ProxiPlate Plus (catalogue no. 6008269) in 10 μL total volume. Full length wild-type cereblon CRBN (80.0 nM, 10 μL) was incubated in assay buffer containing 20 mM HEPES (pH 8.0), 150 NaCl, 0.5 mM TCEP and 0.05% Tween 20 in the presence or absence of compound (300 nL). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System. Compounds and DMSO were dispensed using the Echo E5XX (Labcyte Inc. USA) to give concentrations from 300 to 0.937 or 3000 to 9.3 nM in a 12 data point curve. Mutant YWAA CRBN (80.0 nM, 10 μL) which does not interact with the fluorescent probe was used as a negative control for the assay. Following incubation at room temperature for 30 min, the assay was initiated by dispensing the probe to a final concentration of 5 nM (2.5 nL of a 20 μM stock) using the Echo E5XX. FP was measured after a period of 12 hours using a Pherastar plate reader (BMG Labtech, Germany) exciting at 590 nm and measuring the amount of parallel and perpendicular light at 675 nm. The FP signal was subsequently normalized to the no-compound control (i.e., DMSO). Analysis and IC50 values were derived using Dotmatics (Dotmatics UK) software.
13167	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds disclosed herein against the JH2 domain are determined by the following protocol for a KINOMEscan® assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP 003322.3) and the DNA binding domain of NFkB is expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts are prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein is labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5′-GGGAATTCCC-3′) fused to an amplicon for qPCR readout, which is added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).
13168	1	HAT Activity Inhibition	The HAT activity inhibitory ability of HAT inhibitors was evaluated using SensoLyte HAT(p300) Assay Kit (ANASPEC, AS-72172). Specifically, 7.5 μL of the compound of Examples 1 to diluted with assay buffer was added to 7.5 μL of recombinant p300 solution diluted 10 times with assay buffer, and the mixture was incubated at room temperature for 10 minutes. 7.5 μL of acetyl CoA solution diluted 10 times with assay buffer and 15 μL of histone H3 peptide diluted 10 times with assay buffer were added thereto, and the mixture was incubated at 37° C. for 30 minutes. 37.5 μL of Stop Solution was added to stop the reaction. 75 μL of p300 Developer solution diluted 50 times with assay buffer was added, and the mixture was incubated at room temperature for 30 minutes under light-shielded conditions. The fluorescence at 513 nm when irradiated with 389 nm excitation light was measured using a multiplate reader. Based on the measured fluorescence intensity, the IC50 value, which corresponds to the concentration of the compound that shows 50% inhibition of the enzyme reaction, was calculated.
1565	1	Receptor Binding Inhibition Assay	Cell membrane was prepared from CRTH2-expressing K562 cell. The cell membrane (20 &#956;g/well) was mixed with reaction buffer (50 mM Tris/HCl, pH 7.4, 10 mM MgCl2). Then, [3H]-PGD2 was added to the mixture and incubated for 60 min at room temperature. The concentration of [3H]-PGD2 was determined as equal to Kd calculated from Scatchard plot. Then, the mixture was filtrated with glass paper immediately. The filter paper was washed several times and radio activity on the filter was measured. Specific binding was defined as difference between total and non-specific binding (radio activity with 10 &#956;M PGD2). Ki values for each compound were calculated from displacement curve.
1566	1	Scintillation Proximity Assay (SPA) Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-5507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromotography. 50 nM ROR&#947; (A262-5507) is incubated with test compound at varying concentrations for 15 min at room temperature in PBS buffer containing 0.5% fatty acid free BSA. 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 15 min. 4 mg/mL of Ysi Copper HIS-TAG SPA Beads (Perkin Elmer) are added, and the mixture is incubated for 30 min. The reaction is read on a MicroBeta Trilux scintillation plate reader (Perkin Elmer). IC50 values are determined from the percentage inhibition of [3H] 25-hydroxycholesterol binding.
1568	1	Biochemical HTRF Assay Protocol	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer #PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (&#955;ex=337 nm, &#955;em=665 and 615 nm, TRF delay time=20 &#956;s). HTRF signal=10,000*665 nm reading/615 nm reading. After normalization to untreated controls, the percent inhibition of the HTRF signal at each compound concentration was calculated. 
1569	1	In-Vitro (Enzyme) Assay	In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability of the inhibitors to eliminate TGF-beta-mediated growth inhibition is tested.Cells of the lung epithelial cell line Mv1Lu are sown in a defined cell density in a 96-well microtitre plate and cultivated overnight under standard conditions. Next day, the medium is replaced by medium which comprises 0.5% of FCS and 1 ng/ml of TGF-beta, and the test substances are added in defined concentrations, generally in the form of dilution series with 5-fold steps. The concentration of the solvent DMSO is constant at 0.5%. After a further two days, Crystal Violet staining of the cells is carried out. After extraction of the Crystal Violet from the fixed cells, the absorption is measured spectrophotometrically at 550 nm. It can be used as a quantitative measure of the adherent cells present and thus of the cell proliferation during the culture.
1569	2	Kinase Assay	The kinase assay is performed as 384-well flashplate assay.1 nM IKK&#949;, 800 nM biotinylated I&#954;B&#945;(19-42) peptide (biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 &#956;M ATP (with 0.3 &#956;Ci of 33P-ATP/well) are incubated in a total volume of 50 &#956;l (10 mM MOPS, 10 mM magnesium acetate, 0.1 mM EGTA, 1 mM dithiothreitol, 0.02% of Brij35, 0.1% of BSA, 0.1% of BioStab, pH 7.5) with or without test substance at 30° C. for 120 min. The reaction is stopped using 25 &#956;l of 200 mM EDTA solution, filtered off with suction after 30 min at room temperature, and the wells are washed 3 times with 100 &#956;l of 0.9% NaCl solution. The non-specific proportion of the kinase reaction (blank) is determined using 3 &#956;M EMD 1126352 (BX-795). Radioactivity is measured in the Topcount. IC50 values are calculated using RS1.
1569	3	Kinase Assay	The kinase assay is performed as 384-well flashplate assay.0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (biotin-Ah-Ah-AKPKGNKDYHLQTCCGSLAYRRR) and 10 &#956;M ATP (with 0.25 &#956;Ci of 33P-ATP/well) are incubated in a total volume of 50 &#956;l (10 mM MOPS, 10 mM magnesium acetate, 0.1 mM EGTA, 1 mM DTT, 0.02% of Brij35, 0.1% of BSA, pH 7.5) with or without test substance at 30° C. for 120 min. The reaction is stopped using 25 &#956;l of 200 mM EDTA solution, filtered off with suction after 30 min at room temperature, and the wells are washed 3 times with 100 &#956;l of 0.9% NaCl solution. The non-specific proportion of the kinase reaction (blank) is determined using 100 nM staurosporine. Radioactivity is measured in the Topcount. IC50 values are calculated using RS1.
1569	4	Inhibition Assay	The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1 (1-50)(3.4 nM), the PDK1 substrate biotin-bA-bA-KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC (400 nM), 4 &#956;M ATP (with 0.2 &#956;Ci of 33P-ATP/well) and the test substance in 50 &#956;l of conventional experimental solution per well are incubated at 30° C. for 60 min. The test substances are employed in corresponding concentrations (if desired in a dilution series). The control is carried out without test substance. The reaction is stopped using standard methods and washed. The activity of the kinase is measured via the incorporated radioactivity in top count. In order to determine the non-specific kinase reaction (blank value), the experimental batches are carried out in the presence of 100 nM staurosporine.
1573	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent resonance energy transfer binding assay (1), that measures the binding of a fluorescently labeled probe molecule to the bromodomain protein. The bromodomain protein, fluorescent probe molecule (either a biotinylated histone peptide or a fluorescently labeled small molecule), and dose-responded test compound are incubated together to reach thermodynamic equilibrium. In the absence of a test compound, the bromodomain and small molecule are bound, resulting in a high fluorescent signal. In the presence of a sufficient concentration of inhibitor, this intercation is disrupted resulting in a lost of fluorescent resonance energy transfer.All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responded test compound or dmso vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescnce intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis.
1574	1	Enzyme Assay	Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffer of 50 mM KH2PO4, 50 mM NaCl, 2 mM EDTA, 0.5 mM DTT and 1% Triton-X-100, pH 6.5 for Cathepsin S and a buffer of 50 mM NaOAc, 10 mM EDTA, 1 mM DTT and 0.01% Triton-X-100, pH 5.5 for CatK/L/B. For CatS, the enzyme (0.0007 mU/well) was incubated with fluorogeninc substrate (Z-VVR-AMC, 5 &#956;M) at RT for 10 min. For CatK the enzyme (0.00175 mU/well) was incubated with fluorogeninc substrate (Z-FR-AMC, 40 &#956;M) at RT for 10 min. For CatL, the enzyme (0.000874 mU/well) was incubated with fluorogeninc substrate (Z-VVR-AMC, 40 &#956;M) at RT for 10 min. Flourogenic substrate turnover was detected using a microplate reader (Synergy H4, BioTek). Ki values were calculated using the Cheng Prusoff equation (Cheng & Prosoff 1973).
1575	1	Competition Binding Assay	Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336. Kinases were produced as fusions to T7 phage (See, Fabian et al. or WO04/015142) or alternatively, the kinases were expressed in HEK-293 cells and subsequently tagged with DNA for PCR detection (See, WO08/005,310). For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate affinity resins. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinase, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100× stocks in DMSO and diluted into the aqueous environment. Kds were determined using an eleven point threefold serial dilutions. DMSO or control compounds were was added to control assays lacking a test compound. 
1576	1	PPARgamma Agonist Activity	Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome proliferator-activated receptor gamma (PPAR&#947;) was evaluated in the thyroid receptor-associated protein complex, 220 kDa component (TRAP220) PPAR&#947; coactivator recruitment assay performed at Cerep (France). Briefly, a mixture of labeled PPAR&#947; and tagged TRAP220 coactivator was pre-incubated at room temperature for 30 minutes in the presence of a PPAR&#947;-targeted fluorescence acceptor and test compound. A TRAP220-targeted fluorescence donor was then added and the mixture was incubated for 120 minutes at room temperature. Next, the fluorescence signal was measured and results expressed as a percent of control (10 &#956;M rosiglitazone). A dose response curve was generated for each enantiomer and the experimental data was analyzed using the log(agonist) vs. response (three parameters) non-linear model in GraphPad Prism 6.0 (GraphPad Software, Inc., La Jolla, Calif.), with a fixed Hillslope of 1.
1577	1	Pyridine Analogs Inhibit NO Production	Because oxidative and inflammatory stress contribute to carcinogenesis (Albini & Sporn (2007) Nature Rev. Cancer 7:139-147), it was determined whether the pyridine analogues could block de novo synthesis of inducible nitric oxide synthase (iNOS), a critical enzyme involved in the inflammatory response (Kroncke, et al. (1998) Clin. Exp. Immunol. 113:147-156; Zamora, et al. (2000) Mol. Med. 6:347-373). Nitric oxide release was determined in RA W264.7 macrophage-like cells, after stimulation with 10 ng/ml interferon-&#947; (IFN&#947;) and a 24 hour-exposure to each compound at 0.625, 1.3, 2.5, 5, 10 and 20 nM. NO release was measured by Griess reaction and compared to CDDO-Im, which is a potent suppressor of iNOS (Place, et al. (2003) Clin. Cancer Res. 19:2798-2806). This analysis indicated that the new analogues were slightly less potent than CDDO-Im for blocking NO production. However, each analog inhibited NO production in the low nanomolar range with IC50 values between 2-15 nM (Table 2). The order of potency in the NO assay was similar to the results obtained in the U937 differentiation assay with CDDO-Im (2.0 nM) and CDDO-3P-Im (4.3 nM) being the most active and CDDO-Phenyl-Im being the least active (14.7 nM).
1579	1	IL-6 Production Inhibitory Action Evaluation	o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS stimulation was examined The IL-6 production was measured by using the HTRF method (Cat No. 62IL6PEB manufactured by Cisbio Bioassays, Inc.) according to the attached protocol.
1580	1	Biological Activity	Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic phosphorylation of a peptide results in a change in net charge, enabling electrophoretic separation of product from substrate. As substrate and product are separated, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured, reflecting enzyme activity. In the presence of an inhibitor, the ratio between product and substrate is altered. The signal of the product decreases, while the signal of the substrate increases.For the measurement of CDK2/cyclinE activity, enzyme (0.22 nM) was incubated with 100 mM ATP and the phosphoacceptor substrate peptide (1 mM) for one hour. For the measurement of CDK4/CyclinD activity, enzyme (0.85 nM) was incubated with 200 mM ATP and the phosphoacceptor substrate peptide (1 mM) for three hours. Potential inhibitor compounds (as HCl salts) were tested using 12-point dose response curves in single point at the Km for ATP. The IC50 of each compound was determined using GraphPad Prism.
1581	1	RTK inhibitory activity	RTK inhibitory activity of the compounds 2-12 were evaluated using human tumor cells known to express high levels of EGFR, VEGFR-2 or PDFGR-&#946; using a phosphotyrosine ELISA cytoblot, the data obtained are summarized in Table 1. Compound 1 and compounds known to inhibit a particular RTK were used as positive controls for these assays. The effects of the compounds on cell proliferation were measured in A431 cancer cells known to overexpress EGFR (Table 1).
1584	1	cAMP HTRF Assay to Determine the Activity of hPDE4B1	The inhibiting effect of the compounds on the enzyme activity of human PDE4B1 was measured by the quantification of 5&#8242;-adenosine monophosphate (5&#8242;-AMP), which is formed from 3&#8242;,5&#8242;-cyclic adenosine monophosphate (cAMP). Human recombinant enzyme, expressed in Sf9 cells, and the HTRF (homogeneous time-resolved fluorescence) detection method were used in the assay.The test compound or water (control) was mixed with the human recombinant PDE4B1 enzyme (4.8 U) in a buffer consisting of 44.4 mM tris-HCl, 5.28 mM MgCl2, 2.64 mM DTT and 0.044% Tween 20 (pH 7.8). After adding the cAMP enzyme substrate (final concentration 40 nM), the mixture was incubated for 30 minutes at room temperature. Then a fluorescence acceptor (Dye2 marked with cAMP), a fluorescence donor (anti-cAMP antibody marked with a europium cryptate) and the non-specific phosphodiesterase inhibitor IBMX (3-isobutyl-1-methylxanthine; final concentration 1 mM) were added. After 60 min the fluorescence transfer, which correlates with the amount of remaining cAMP, was measured with a microplate reader (Rubystar, BMG) at &#955;ex=337 nm, &#955;em=620 nm and &#955;em=665 nm. The enzyme activity was calculated from the quotient formed from the measured signal at 665 nm and that at 620 nm. The result was expressed as the percentage inhibition of enzyme activity of the control (without PDE4 inhibitor). The enzyme was omitted for measurement of the basal control.[N. Saldou et al., Comparison of recombinant human PDE4 isoforms: interaction with substrate and inhibitors, Cell. Signal. Vol. 10, No. 6, 427-440, 1998].
1585	1	Ex-Vivo Potencies in Tonic state	The potencies of the compounds provided herein to block specific Na+ channels was measured using automated patch clamp electrophysiologically of Nav1.7 sodium channels (human SCN9A gene) stably expressed in CHO cells using the IonWorks Barracuda system. Currents were measured from the whole cell patch configuration. From a holding potential of &#8722;90 mV, membranes were subjected to a 200 ms pre-pulse to &#8722;120 mV, then pulsed to 0 mV to measure blockade of the tonic (resting) state. Inactivated state block was elicited by repolarization to &#8722;100 mV (20 ms pulse duration), followed by depolarization to 0 mV (20 ms pulse duration). Peak inward Na+ currents were measured in the presence of vehicle or various concentrations of the test compound to determine the percent block of current.
1585	2	Ex-Vivo Potencies in Inactivated state	The potencies of the compounds provided herein to block specific Na+ channels was measured using automated patch clamp electrophysiologically of Nav1.7 sodium channels (human SCN9A gene) stably expressed in CHO cells using the IonWorks Barracuda system. Currents were measured from the whole cell patch configuration. From a holding potential of &#8722;90 mV, membranes were subjected to a 200 ms pre-pulse to &#8722;120 mV, then pulsed to 0 mV to measure blockade of the tonic (resting) state. Inactivated state block was elicited by repolarization to &#8722;100 mV (20 ms pulse duration), followed by depolarization to 0 mV (20 ms pulse duration). Peak inward Na+ currents were measured in the presence of vehicle or various concentrations of the test compound to determine the percent block of current.
1586	1	GPR40 Calcium Flux Assay	Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum, 1×L-Glutamine, 1×Penicillin/Streptomycin and 500 &#956;g/mL G418. Rat GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum and 1 &#956;g/mL puromycin. Cells were plated into poly-D-lysine coated 384-well plates and cultured overnight in a 37° C. humidified tissue culture incubator under 5% CO2/90% O2 atmosphere. On the day of the experiment, the culture media was replaced with assay buffer (HBSS, 20 mM HEPES, 0.1% BSA) and the cells incubated at 37° C. for 1 h. Calcium-sensitive fluorescent dye (Fluo 8 No-Wash Calcium Dye, ABD Bioquest) was then added and the cells incubated for another 30 min at 37° C. followed by 15 min at room temperature while protected from the light. The cell plate and a plate of diluted compounds of Formula (I) were loaded into a fluorescent plate reader that added compounds onto the cells while measuring the fluorescence intensity of each well. The plate reader recorded fluorescence intensity at 1 second intervals for 8 min and provided the data for analysis in an Excel format. EC50 values were calculated using Prism (GraphPad) software.
1588	1	Pharmaceutical Assay	To determine the HECT E3 ligase selectivity of the compounds, a panel of biochemical HECT E3 ligase autoubiquitinylation assays was employed (Smurf-1, Smurf-2, WWP1, WWP2, ITCH, Nedd4, Nedd4L and E6AP). The conjugation of ubiquitin to a protein substrate is a multistep process. In an initial ATP-requiring step, a thioester bond is formed between the carboxyl terminus of ubiquitin and an internal cystein residue of the ubiquitin-activating enzyme (E1). Activated ubiquitin is then transferred to a specific cystein residue of an ubiquitin-conjugating enzyme (E2). E2s donate ubiquitin to a HECT E3 ligase (E3) from which it is transferred to the substrate protein. HECT E3 ligases can auto-ubiquitinylate. This event is detected in the TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) assay used in this panel. The reaction mix contains E1, E2, tagged-E3, biotin-conjugated ubiquitin, the compound and ATP in a suitable buffer and is incubated for 45 minutes to allow auto-ubiquitinylation of the E3 ligase. To measure the extent of ubiquitinylated E3 ligase by TR-FRET, the donor fluorophore Europium cryptate (Eu3+ cryptate), conjugated to streptavidin which subsequently binds to biotinylated ubiquitin, and the modified allophycocyanin XL665 (HTRF primary acceptor fluorophore) coupled to a tag-specific antibody (HA, His or GST), which recognizes the respective E3 ligase fusion proteins, are added after the reaction is complete. When these two fluorophores are brought together by a biomolecular interaction (in this case ubiquitinylation of the E3 ligase), a portion of the energy captured by the Cryptate during excitation is released through fluorescence emission at 620 nm, while the remaining energy is transferred to XL665. This energy is then released by XL665 as specific fluorescence at 665 nm. Light at 665 nm is emitted only through FRET with Europium. Because Europium Cryptate is present in the assay, light at 620 nm is detected even when the biomolecular interaction does not bring XL665 within close proximity.
1592	1	hSortilin Affinity Assay	The Sortilin assay was performed in total volume of 40 ul in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Varying concentration of compounds where pre-incubated for 30 min at RT with 150 nM of 6his-Sortilin. 5 nM [3H]-Neurotensin was added as radioligand and nonspecific binding defined as the binding in the presence 20 &#956;M of Neurotensin. Ni chelate imaging beads (Perkin Elmer) was added and the plate was slowly shaked in the dark for 60 min. The imaging beads were allowed minimum 6 hours settling time before the plate was read on a ViewLux with 360 sec exposure time. Dose-response evaluation of compounds was performed with 10 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK). The results were given as Ki values (nM) derived from computer fitted IC50 values converted to Ki values using the Cheng-Prusoff equation (Ki=IC50/(1+(L/Kd))). Kd for Neurotensin was determined to 100 nM.
1592	2	mSortilin Affinity Assay	The Sortilin assay was performed in total volume of 40 &#956;l in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Varying concentration of compounds where pre-incubated for 30 min 10 at RT with 50 nM of 6his-Sortilin. 5 nM [3H]-Neurotensin was added as radioligand and nonspecific binding defined as the binding in the presence 20 &#956;M of Neurotensin. Ni chelate imaging beads (Perkin elmer) were added and the plate was slowly shaken in the dark for 60 min. The imaging beads were allowed a minimum 6 hours settling time before the plate was read on a ViewLux with 360 sec exposure time. Dose-response evaluation of compounds was performed with 10 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK). The results were given as Ki values (nM) derived from computer-fitted IC50 values converted to Ki values using the Cheng-Prusoff equation (Ki=20 IC50/(1+(L/Kd))). Kd for Neurotensin was determined to 100 nM.
1592	3	Inhibition of Pro Part of ProNGF to hSortilin	The pro Sortilin assay was performed in total volume of 20 &#956;l in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Varying concentration of compounds where incubated for 15 min at RT with 50 nM of 6his-Sortilin and 6 nM of pro-GST. 4 nM of anti-GST-Eu and 25 nM of anti-His-XL665 were added together with KF (final concentration 200 mM) and, following 150 min incubation at room temperature in the dark. the fluorescence was measured with excitation of 320 nm and dual emission of 665 and 615 nm on the an envision reader (Perkin Elmer). Signal was expressed in terms of HTRF ratio (fluorescence intensity at 665 nm/fluorescence intensity at 615 nm×10,000). Inhibition of binding of proGST to Sortilin was expressed as a percent inhibition of the control response to 20 &#956;M of Neurotensin (100% inhibition) relative to a buffer basal control (0% inhibition). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK).
1592	4	Inhibition of hProgranulin to hSortilin	The progranulin Sortilin assay was performed in total volume of 20 &#956;l in 50 mM Phosphate buffer pH 7.0 assay buffer containing 0.1% BSA. Varying concentration of compounds where incubated for 15 min at RT with 50 nM of 6his-Sortilin and 4 nM of Progranulin. 0.7 nM of anti-progranulin-Eu and 7 nM of anti-HisXL665 were added together with KF (final concentration 200 mM) and, following 120 min incubation at room temperature in the dark, the plate was kept at 4° C. overnight and next day the fluorescence was measured with excitation of 320 nm and dual emission of 665 and 615 nm on the an envision reader (Perkin Elmer). Signal was expressed in terms of HTRF ratio (fluorescence intensity at 665 nm/fluorescence intensity at 615 nm×10,000). Inhibition of binding of progranulin to Sortilin was expressed as a percent inhibition of the control response to 20 &#956;M of Neurotensin (100% inhibition) relative to a buffer basal control (0% inhibition). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using Xlfit 4 (IDBS, UK).
1593	1	PDE2A assay	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein.  Done in Lab A for hPDE2.
1593	2	PDE2A3 assay	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein.  Done in Lab A for rhPDE2A3.
1593	3	PDE2A3 assay	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein.  Done in Lab B for rhPDE2A3.
1593	4	TBD	TBD
1594	1	Stabilization of HIF-1alpha	The compounds were formulated with DMSO to form 30 mM stock solutions, and then formulated with analytical nutrient solution to form 2× working solutions, and seven final concentrations, 0.03, 0.1, 0.3, 1, 3, 10, 30 &#956;M, were used for screening and obtaining dose-effect relationship. Positive compound bipyridine was formulated with DMSO to form 100 mM mother solution, and then formulated with analytical nutrient solution to form 2× working solution. The positive compound bipyridine in final concentration of 100 &#956;M was used as control, and analytic nutrient solution with DMSO in a final concentration of 3 was used as solvent control.CHOhIR cells (purchased from Thermo Fisher Scientific) which stably expressed EGFP-HIF-1&#945; fusion protein were cultured under 37° C. and 5% CO2 in F12 culture solution containing 0.5 mg/ml G418 and 10% FBS, transplanted in an amount of 0.8×104 cells/100 &#956;l/well on a 96-well culture plate that could be subjected to fluorescence detection, and cultured under 37° C. and 5% CO2 for 18-24 h. The cells were washed with analytical nutritional solution in amount of 100 &#956;l/well, added with analytical nutritional solution in amount of 100 &#956;l/well, added with 2× drug in amount of 100 &#956;l/well, and each concentration was repeated in 3 wells in parallel way. After the cells were incubated under 37° C. and 5% CO2 for 3 h, 12% formaldehyde in amount of 100 &#956;l/well was added, fixation was carried out at room temperature for 30 min. Culture media was discarded, and the plate was washed with PBS twice, PBS containing 1 &#956;M Hoechst was used, staining was performed at room temperature for 1 h. Detection was performed by IN Cell Analyzer 1000 live cell imaging system. Detection conditions were: 20× objective lens, excitation wavelength Ex=460 nm, emission wavelength Em=535 nm, exposure 300 ms to detect blue-fluorescence of cell nucleus passage; excitation wavelength Ex=475 nm, emission wavelength Em=535 nm, exposure 500 ms to detect green-fluorescence EGFP of cytoplasm passage, and pictures were taken continuously in 5 fields of view for each well. IN Cell Analyzer 1000 Multitarget Analysis Module of GE Company was used for analyzing aggregation of green-fluorescence of HIF-1&#945; in cell nucleus, and BP100 &#956;M treatment group was used as 100% activation of HIF-1&#945;. 
1595	1	Progesterone Receptor Fluorescence Polarization Assay	Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 &#956;L. DTT and DMSO are added to the chilled assay buffer just before beginning assay. Sufficient Fluormone PL Red and PR-LBD are defrosted on ice and added to the chilled buffer in a glass tube to give a final concentration of 2 nM and 8 nM, respectively. A volume of 10 &#956;L of the assay mix is added to compound plates with a multidrop. The assay is allowed to incubate at 20-22° C. (room temp) for 2-3 hours. The plates are counted in a Discovery Analyst with suitable 535 nM excitation and 590 nM emission interference filters (Dichroic 561 nM). Compounds that interact with the PR result in a lower fluorescence polarization reading. Test compounds are dissolved and diluted in DMSO.
1596	1	Biological Assays	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing any recombinant protein were lysed and the lysate was added to the purified ROR&#947;-LBD at 0.25 &#956;l lysate (from 10,000 SF9 cells)/nM purified protein. The mixture was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT) to obtain ROR&#947;-LBD final concentration of 3 nM in 384-well assay plate.Compounds to be tested were injected to the assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) (SEQ ID NO:2) was prepared in assay buffer and added to each well (100 nM final concentration). A solution of Europium tagged anti-HIS antibody (1.25 nM final concentration) and APC conjugated streptavidin (8 nM final concentration) were also added to each well.The final assay mixture was incubated overnight at 4° C., and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
1598	1	HTRF kinEASE TK	The kinase analysis in vitro was performed using the HTRF kinEASE TK kit of Invitrogen Co., the procedure steps were carried out according to instructions of kit, the method then was used to detect the inhibitory effects of test compounds on substrate peptide phosphorylation of the EGFR receptor tyrosine kinase and Her-2 activity enzyme in vitro.
1601	1	Chromatin Immunoprecipitation (CHIP)	ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer&#39;s instruction. Briefly, after crosslinking with formaldehyde (1%), cell were lysed using SDS Lysis Buffer containing Protease Inhibitor Cocktail and nuclear extract were obtained. Then, crosslinked DNA was sheared using sonication; sheared DNA size was checked on agarose gel and ranged, in all cases, between 300-500 bp. An amount of 1/20 of the shared chromatin was kept as an input. Sheared chromatin was incubated with rabbit polyclonal Phospho-Stat5 (Tyr694) Antibody (Cell Signaling, Danvers, Mass., USA) at dilution 1:50 or rabbit polyclonal IgG at appropriate concentration. Incubation was performed at 4° C. overnight. The antibody/chromatin complex was precipitated using Protein G Agarose beads. After elution, the crosslink of protein/DNA was reversed, and DNA was purified using Spin Columns. PCR was performed using platinum Taq (Invitrogen Canada, Burlington, ON, Canada). Two sets of primers were designed to amplify two DNA segments that contain STAT5-binding sites located 1672 bp and 428 bp upstream the start sites of C-Myc and Cyclin-D1, respectively. The STAT5-binding site in the C-MYC promoter is characterized by a 4N spacer and has the sequence (ttcccccgaa), whereas the one in the Cyclin D1 promoter is characterized by a 3N spacer and has the sequence (ttcttggaa).
1608	1	GRE Agonist Assay	A reporter cell line (ChagoK1 18:7:2 s4/GRE) was established by stable transfection of the human bronchogenic carcinoma cell line, ChaGo K1 (ATCC: HTB 168) with a MMTV-GRE-LacZ reporter construct. The generated cell line allows for identification of compounds showing agonist activity at the human glucocorticoid receptor (GR) via induction of LacZ gene expression. Ligand-activated GR binds to the Glucocorticoid Response Element (GRE) in the promoter of the LacZ gene and transcription is initiated. The resulting beta-galactosidase activity is measured through a colour reaction (change in absorbance).Cryo-preserved ChagoK1 18:7:2 s4/GRE cells were suspended in RPMI medium with 10% FBS, 1% NEAA and 1% sodium pyruvate, and seeded as 50000 cells/200 ul/well in 96-well plates and cultured at 37° C. with 5% CO2 and 95% humidity for 24 hours. 1 &#956;l compound was added at different concentrations to the cells and incubated for another 24 hours. Cells were washed once in PBS and lysed with 50 &#956;l of 0.1% Triton-X for 10 min at room temperature. 40 &#956;l of reaction mixture (2.5 mM MgCl2, 0.1 M &#946;-mercapto ethanol, 1.7 mg/ml ONPG and 42.5 mM sodium phosphate, pH 7.5), was added to each well and kept at 37° C. for 60 min. The reaction was then terminated by addition of 100 &#956;l stop solution (300 mM glycine, 15 mM EDTA, pH 11.3, adjusted with NaOH). The plates were measured at 420 nm for absorbance in a SpectraMax reader (Molecular Device).The relative efficacy (% effect) of a compound is calculated based on the full agonist effect of dexamethasone: % Effect=((Sample abs&#8722;min abs)/(max abs&#8722;min abs))×100To calculate EC50, max, min and slope factor for each compound, a concentration response curve is fitted by plotting % Effect versus compound concentration using the 4 parameter logistic equation: y=A+(B&#8722;A)/(1+((10C)/x)D)Where A=min Y, B=max Y, C=log EC50 and D=Slope factor.
1608	2	GRE Antagonist Assay	A reporter cell line (ChagoK1 18:7:2 s4/GRE) was established by stable transfection of the human bronchogenic carcinoma celline, ChaGo K1 (ATCC: HTB 168) with a MMTV-GRE-LacZ reporter construct. The generated cell line allows for identification of compounds showing antagonist activity at the human glucocorticoid receptor (GR) via reduction of LacZ gene expression. Dexamethasone-activated GR binds to the Glucocorticoid Response Element (GRE) in the promoter of the LacZ gene and transcription is initiated. Antagonistic properties of compounds are assessed as beta-galactosidase intensity reduction from pre-stimulation with dexamethasone through a colour reaction (change in absorbance).Cryo-preserved ChagoK1 18:7:2 s4/GRE cells were suspended in RPMI medium with 10% FBS, 1% NEAA and 1% sodium pyruvate, and seeded as 50000 cells/200 ul/well in 96-well plates and cultured at 37° C. with 5% CO2 and 95% humidity for 24 hr. Cells were pre-stimulated with 2 &#956;l dexamethasone (70 nM final conc) for 4-5 hr, before addition of 1 &#956;l compound at different concentrations and incubation for an additional 24 hr. Cells were washed once in PBS and lysed with 50 &#956;l of 0.1% Triton-X for 10 min at room temperature. 40 &#956;l of reaction mixture (2.5 mM MgCl2, 0.1 M &#946;-mercapto ethanol, 1.7 mg/ml ONPG and 42.5 mM sodium phosphate, pH 7.5), was added to each well and kept at 37° C. for 60 min. The reaction was then terminated by addition of 100 &#956;l stop solution (300 mM glycine, 15 mM EDTA, pH 11.3, adjusted with NaOH). The plates were measured at 420 nm for absorbance in a SpectraMax reader (Molecular Device).The relative efficacy (% effect) of a compound is calculated based on the full antagonist effect of the reference compound Mifepristone (RU486): % Effect=((Sample abs&#8722;min abs)/(max abs&#8722;min abs))×100To calculate IC50, max, min and slope factor for each compound, a concentration response curve is fitted by plotting % Effect versus compound concentration using the 4 parameter logistic equation: y=A+(B&#8722;A)/(1+((10C)/x)D)Where A=min Y, B=max Y, C=log IC50 and D=Slope factor.
1608	3	AlphaLISA hTNFa kit	TNF&#945; protein levels were determined using an AlphaLISA hTNFa kit (Perkin Elmer) according to the manufacturer&#39;s instructions. Briefly, the samples were allowed to return to room temperature and centrifuged at 1500×g for 5 min. Samples were diluted 1/5 (5 &#956;L sample in 20 &#956;L AlphaLISA buffer). At the same time, a standard curve of TNF&#945; was prepared by serial 1/3 dilutions from a stock solution (5000-2 pg/mL). 5 &#956;L sample/standard curve were transferred to a 384-well Optiplate , and to this was added 20 &#956;L anti-humanTNFa acceptor beads/biotinylated antibody mix. The plate was incubated at room temperature for 60 min. After this incubation, 25 &#956;L streptavidin donor beads were added, and the plate was incubated for a further 60 min in the dark at room temperature. The samples were read at 615 nm with excitation at 680 nm using an Envision plate reader. TNF&#945; in the samples was determined by extrapolation from the standard curve and expressed as pg/mL.The % inhibition of TNF&#945; was determined by the equation: % inhibition=(1&#8722;(A&#8722;B)/(C&#8722;B))×100 Here, A=TNF&#945; in LPS stimulated samples containing compound, B=TNF&#945; in unstimulated samples. and C=TNF&#945; in LPS stimulated samples without compound. Percent inhibition was plotted against concentration, and a curve graphed using a 4-parameter curve fit (Xlfit 4.1) to determine the pIC50.
1609	1	In Vitro Biochemical Assay	The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.
1610	1	HT Universal Chemiluminescent PARP Assay Kit	1. 50 &#956;l of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×PARP buffer in each well was aspirated, and the remaining liquid was tapped dry on paper towels.2. The diluted 5× solutions of Compounds (1) to (37) were added to respective wells (10 &#956;l per well). The positive and negative control wells contained the 1×PARP buffer (containing 5% DMSO).3. The PARP enzyme was diluted in the 1×PARP buffer to give a concentration of 0.5 Unit per 15 &#956;l, and then 15 &#956;l of the enzyme solution was added to each well except that the negative control well was added exclusively with the 1×PARP buffer. The plate was incubated for 10 min at room temperature.4. 25 &#956;l of the 1×PARP Cocktail was sequentially added to each well.5. The plate was incubated for 60 min at 27° C.6. After incubation, the reaction solution was aspirated from the wells, and the remaining liquid was tapped dry on paper towels. Then, the plate was washed 4 times with 0.1% Triton X-100 in PBS (200 &#956;l per well per wash), and the remaining liquid was tapped dry on paper towels.7. Subsequently, the diluted 1× Strep-HRP solution was added to each well, and then the plate was incubated for 60 min at 27° C.8. After incubation, the reaction solution was aspirated from the wells, and the remaining liquid was tapped dry on paper towels. Then, the plate was washed 4 times with 0.1% Triton X-100 in PBS (200 &#956;l per well per wash), and the remaining liquid was tapped dry on paper towels.
1611	1	GLS Enzyme Potency Assay	GLS Enzyme Potency AssayA Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2×working concentration and incubated at r.t. to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at r.t. for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at r.t. 3 &#956;l of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at r.t. for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
1612	1	Antagonism of Humanized OX1 Receptor Assay	The capability of the compounds to the antagonism of humanized OX1 receptor transfected to the Chinese hamster ovary (CHO) cells was evaluated by the method of fluorescence detected free calcium concentration in the cytoplasm. The cells were suspended in a cell culture medium (invitrogen), and then plated to a microplate with an average density of 2×104 cells/well. The fluorescent probes (Fluo4 NW, Invitrogen) was mixed with probenecid Hank&#39;s balanced salt solution (invitrogen), followed by addition of 20 mM hydroxyethyl piperazine acetic sulfuric acid (invitrogen) (pH 7.4). The resulting mixture was eventually added to the microwells containing cells. The cells were incubated at 37° C. for 60 min, and then balanced at 22° C. for 15 min. The microplate was placed in a microplate reader (CellLux, PerkinElmer), and the solution of test compound with different concentrations or Hank&#39;s balanced salt solution was added. The microplate containing the solution was incubated for 5 min, followed by the addition of 3 nM of orexin A or a balanced salt solution (as control). The changes of fluorescence intensity proportional to the concentration of calcium ions in the cytoplasm were measured.
1612	2	Antagonism of Humanized OX2 Receptor Assay	The capability of the compounds to antagonism of humanized OX2 receptor transfected by the HEK-293 cells was evaluated by the method of fluorescence detected free calcium concentration in the cytoplasm. The cells were suspended in cell culture medium (invitrogen), and then added to a microplate with an average density of 3×104 cells/well. The fluorescent probes (Fluo4 NW, Invitrogen) was mixed with probenecid Hank&#39;s balanced salt solution (invitrogen), followed by addition of 20 mM hydroxyethyl piperazine acetic sulfuric acid (invitrogen) (pH 7.4). The resulting mixture was eventually added to the microwells containing cells. The cells were incubated at 37° C. for 60 min, and then balanced at 22° C. for 15 min. The microplate was placed in a microplate reader (CellLux, PerkinElmer), and the solution of test compound with different concentrations or Hank&#39;s balanced salt solution was added. The microplate containing the solution was incubated for 5 min, followed by the addition of 10 nM of orexin B or a balanced salt solution (as control). The changes of fluorescence intensity proportional to the concentration of calcium ions in the cytoplasm were measured.
1614	1	GPR142 Agonist Effect as Measured by IP-1 Assay	HEK293 cells expressing human GPR142 are maintained in DMEM supplemented with 10% FBS and 800 &#956;g/ml G418 (Geneticin) at 37° C. and 5% CO2. The cells are plated in 384 well plates at 5000 cells per well and allowed 18 hours for attachment. After addition of compounds at varying concentrations ranging from 30 &#956;M to 1 nM, cells are incubated for 1 hr. IP-1 measurements are performed using an IP-One HTRF assay kit (Cisbio) according to manufacturer&#39;s protocol using assay buffer containing 1×HBSS (+Ca, +Mg), 0.1% BSA, 50 mM LiCl and 20 mM HEPES, pH 7.2. The reaction is stopped by addition of IP1-d2 (IP-1 coupled to an organic HTRF acceptor) followed by cryptate solution (http://www.htrf.com/usa/htrf-chemistry). The plates are incubated at 25° C. for 1 hr. Fluorescence is read in an Envision instrument at 665 nm and 620 nm wavelength. The ratio of 665 nm/620 nm is calculated and converted to IP-1 levels using an IP-1 standard curve. The data is fit to a 4 parameter-fit logistics to determine EC50 values.
1615	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent resonance energy transfer binding assay (1), that measures the binding of a fluorescently labeled probe molecule to the bromodomain protein. The bromodomain protein, fluorescent probe molecule (either a biotinylated histone peptide or a fluorescently labeled small molecule), and dose-responded test compound are incubated together to reach thermodynamic equilibrium. In the absence of a test compound, the bromodomain and small molecule are bound, resulting in a high fluorescent signal. In the presence of a sufficient concentration of inhibitor, this interaction is disrupted resulting in a loss of fluorescent resonance energy transfer.  All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responded test compound or DMSO vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis.
1618	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent resonance energy transfer binding assay (1), that measures the binding of a fluorescently labeled probe molecule to the bromodomain protein. The bromodomain protein, fluorescent probe molecule (either a biotinylated histone peptide or a fluorescently labeled small molecule), and dose-responded test compound are incubated together to reach thermodynamic equilibrium. In the absence of a test compound, the bromodomain and small molecule are bound, resulting in a high fluorescent signal. In the presence of a sufficient concentration of inhibitor, this interaction is disrupted resulting in a loss of fluorescent resonance energy transfer.  All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responded test compound or DMSO vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis.
1619	1	Tyk2 & JAK2 Caliper Assay	The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics technology. The assays are carried out at ATP concentration equivalent to the ATP Km, and at 1 mM ATP. Compounds are serially diluted in DMSO then further diluted in assay buffer (25 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% Triton, 0.5 mM EGTA). 5 ul of diluted compound was added into wells first, then 10 ul of enzyme mix was added into wells, followed by 10 uL of substrate mix (peptide and ATP in 10 mM MgCl2) to start reaction. Reaction was incubated at 28° C. for 25 min and then added 25 ul stop buffer (100 mM HEPES, 0.015% Brij-35, 50 mM EDTA), followed by reading with Caliper. JAK2 at 1 nM final concentration and TYK2 at 9.75 nM are from Carna, and substrates used are ATP at 20 and 16 uM, respectively. JAK2 assay uses peptide 22 and TYK2 uses peptide 30 (Caliper), each at 3 uM.
1622	1	HBsAg Assay	HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution series of the compounds in DMSO. The final DMSO concentration in all wells was 1% and DMSO was used as no drug control.The HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2) was used to measure the levels of secreted HBV antigens semi-quantitatively. For the detection 50 &#956;L/well culture supernatant was used and HBsAg was quantified using HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2), 50 &#956;L of the supernatant was transferred to the CLIA assay plate and 50 &#956;L of enzyme conjugate reagent was added into each well. The plates were sealed and gently agitated for 1 hour at room temperature. The supernatant-enzyme-mixture was discarded and wells were washed 6 times with 300 &#956;L of PBS. The residual liquid was removed by plating the CLIA plate right side down on absorbent tissue paper. 25 &#956;L of substrates A and B were added to each well. Luminance was measured using a luminometer (Mithras LB 940 Multimode Microplate Reader) after 10 minutes incubation. Dose-response curves were generated and the IC50 value was extrapolated by using the E-WorkBook Suite (ID Business Solutions Ltd., Guildford, UK). The IC50 was defined as the compound concentration (or conditioned media log dilution) at which HBsAg secretion was reduced by 50% compared to the no drug control.
1622	2	HBV DNA Assay	The assay employs real-time qPCR (TaqMan) to directly measure extracellular HBV DNA copy number. HepG2.2.15 cells were plated in 96-well microtiter plates. Only the interior wells were utilized to reduce "edge effects" observed during cell culture, the exterior wells were filled with complete medium to help minimize sample evaporation. On the following day, the HepG2.2.15 cells were washed and the medium was replaced with complete medium containing various concentrations of a test compound in triplicate. 3TC was used as the positive control, while media alone was added to cells as a negative control (virus control, VC). Three days later, the culture medium was replaced with fresh medium containing the appropriately diluted drug. Six days following the initial administration of the test compound, the cell culture supernatant was collected, treated with pronase and then used in a real-time qPCR/TaqMan assay to determine HBV DNA copy numbers. Antiviral activity was calculated from the reduction in HBV DNA levels (IC50).
1625	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.Test compounds having a lower Ki value or higher pKi value in each of the four JAK assays show greater inhibition of JAK activity.
1627	1	Biochemical binding TR-FRET assay	The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 &#956;M or 10 &#956;M compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 &#956;L assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog # PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound.
1629	1	FGFR-4 wild type assay	In each well of a 384-well plate, 0.5 ng/ul of wild type FGFR-4 (Carna Biosciences, Inc.) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM CSKtide (5-FAM-KKKKEEIYFFFG-NH2) and 400 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper LabChip EZ Reader II (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35 s).
1629	2	FGFR-1 wild type assay	In each well of a 384-well plate, 0.1 ng/ul of wild type FGFR-1 (Carna Biosciences, Inc.) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM CSKtide (5-FAM-KKKKEEIYFFFG-NH2) and 400 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35 s).
1630	1	Assay for Binding Affinity for Adenosine Receptor A3	HEK-293 cell membrane homogenates (32 &#956;g protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22° C. with 0.15 nM [1251]AB-MECA in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA and 2 UI/ml ADA. Nonspecific binding is determined in the presence of 1 &#956;M IB-MECA. Following incubation, the samples are filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters are dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results are expressed as a percent inhibition of the control radioligand specific binding. The standard reference compound is IB-MECA, which is tested in each experiment at several concentrations to obtain a competition curve from which its IC50 is calculated.
1630	2	Assay for Binding Affinity for Adenosine Receptor A2	HEK-293 cell membrane homogenates (40 &#956;g protein), in which A2a adenosine receptors were expressed, are incubated for 120 min at 22° C. with 6 nM [3H]CGS 21680 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2 and 2 UI/ml ADA. Nonspecific binding is determined in the presence of 10 &#956;M NECA. Following incubation, the samples are filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters are dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results are expressed as a percent inhibition of the control radioligand specific binding. The standard reference compound is NECA, which is tested in each experiment at several concentrations to obtain a competition curve from which its IC50 is calculated.
1630	3	Assay for Binding Affinity for Adenosine Receptor A1	CHO cell membrane homogenates (40 &#956;g protein), in which A1 adenosine receptors were expressed, are incubated for 60 min at 22° C. with 1 nM [3H]CCPA in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA, 2 UI/ml ADA, 1 g/ml Leupeptin, 1 M Pepstatin and 10 &#956;g/ml Trypsin inhibitor. Nonspecific binding is determined in the presence of 10 &#956;M CPA. Following incubation, the derivatives according to embodiments of the present disclosure are filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters are dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results are expressed as a percent inhibition of the control radioligand specific binding. The standard reference compound is CPA, which is tested in each experiment at several concentrations to obtain a competition curve from which its IC50 is calculated.
1635	1	Binding Assay	Purified, recombinant FGFR4 was pre-incubated with 10 &#956;M compound overnight at 4° C., or for 1 hour at room temperature. Following pre-incubation, protein samples were separated using SDS-PAGE and gels were stained with SimplyBlue&#153; SafeStain (Life Technologies, Grand Island, N.Y.). FGFR bands were cut out and digested using an In-Gel Tryptic Digestion Kit (Thermo Scientific, Waltham, Mass.). Digested samples were run on a Thermo Scientific Q Exactive&#153; LCMS using reverse phase separation and tandem mass spectrometry to identify modified peptides.Alternatively, following pre-incubation FGFR4 was concentrated and buffer exchanged on an OPTI-TRAP protein concentrating and desalting C4 column (Optimize Technologies). Protein was eluted in acetonitrile containing 0.1% formic acid and run by direct injection on a Thermo Scientific Q Exactive&#153; LCMS to identify modified, intact FGFR4.
1635	2	Kinase HotSpots Assay	Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen&#153;) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 &#956;M, FGFR1 substrate); and Poly [E,Y] 4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology (Labcyte Echo 550, Sunnyvale, Calif.) (see, Olechno et al., 2006, Improving IC50 results with acoustic droplet ejection. JALA 11, 240-246) and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, a mixture of ATP (Sigma-Aldrich ) and 33P-&#947;-ATP (PerkinElmer) was added to a final concentration of 10 &#956;M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature and then spotted onto Whatman&#153; P81 ion exchange filter paper. Unbound phosphate was removed by extensively washing filters in 0.75% phosphoric acid. See, Anastassiadis et al., 2011, Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. Nat Biotechnol 29, 1039-1045.
1635	3	Biochemical Kinase Assay	Recombinant FGFR1 (2.5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 &#956;M, FGFR1 substrate); Poly [E,Y] 4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, 33P-&#947;-ATP was added at a final concentration of 10 &#956;M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature. Substrate phosphorylation was monitored by filter assay, as above. Results are shown in Table 5. The results reported show that compound 108 is a more potent FGFR4 inhibitor, whereas BGJ398 is a more potent FGFR1 inhibitor.
1636	1	In Vitro Enzyme Inhibition Assay	Assay Procedures:The abbreviations used in the following assay have the following meanings:HEPES: hydroxyethyl piperazine ethanesulfonic acid;Brij-35: polyoxyethylene lauryl ether;DTT: dithiothreitol;Coating Reagent #3: #3 coating agent;EDTA: ethylene diamine tetraacetic acid, purchased from Sigma Co. Ltd.;FAM labeled peptide: fluorescein labeled peptide 22 (GL Biochem);ATP: adenosine triphosphate (Sigma);DMSO: dimethyl sulfoxide;EGFR: human epidermal growth factor receptor (Carna);HER2: human epidermal growth factor receptor 2 (Carna);HER4: human epidermal growth factor receptor 4 (Carna).1. Formulating the agents to be used in the assay(1) 1.25-fold MnCl2-free kinase buffer (62.5 mM HEPES, PH 7.5, 0.001875% Brij-35, 12.5 mM MgCl2, 2.5 mM DTT);(2) 1.25-fold MnCl2-containing kinase buffer (62.5 mM HEPES, pH 7.5, 0.001875% Brij-35, 12.5 mM MgCl2, 12.5 mM MnCl2, 2.5 mM DTT);(3) Stop buffer (100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA);(4) 2.5-fold kinase solutions (to the 1.25-fold kinase buffers were added the corresponding kinases to formulate 2.5-fold EGFR, HER2, HER4 kinase solutions);(5) 2.5-fold peptide solutions (to the 1.25-fold kinase buffers were added FAM labeled peptide and ATP to formulate the peptide solutions);(6) 5-fold compound solutions (using 100% DMSO to formulate 50-fold compound solutions having different concentration gradients, and diluting with water by 10 times to obtain 5-fold compound solutions having different concentration gradients);2. Adding 5 &#956;L of a 5-fold compound solution to a 384-well plate;3. Adding 10 &#956;L of a 2.5-fold kinase solution to incubate for 10 min;4. Then adding 10 &#956;L of a 2.5-fold peptide solution, and reacting at 28° C. for 1 h; and5. Finally, adding 25 &#956;L of stop buffer to terminate the reaction, and reading the data with Caliper.6. Curve fitting to obtain an IC50 value. 
1637	1	Competition Binding Assay	Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336. Kinases were produced as fusions to T7 phage (See, Fabian et al. or WO04/015142) or alternatively, the kinases were expressed in HEK-293 cells and subsequently tagged with DNA for PCR detection (See, WO08/005310). For the binding assays, streptavidin-coated magnetic beads were treated with biotinylated affinity ligands for 30 min at room temperature to generate affinity resins. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinase, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100× stocks in DMSO and rapidly diluted into the aqueous environment. DMSO was added to control assays lacking a test compound. Primary screen interactions were performed in polypropylene 384-well plates in a final volume of 34 &#956;L, while Kd determinations were performed in polystyrene 96-well plates in a final volume of 135 &#956;L. The assay plates were incubated at room temperature with shaking for 1 hour, long enough for binding reactions to reach equilibrium, and the affinity beads were washed extensively with wash buffer (1×PBS, 0.05% Tween 20) to remove unbound protein. The beads were then resuspended in elution buffer (1×PBS, 0.05% Tween 20, 2 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 min. The kinase concentration in the eluates was measured by quantitative PCR. Each kinase was tested individually against each compound. KdS were determined using eleven serial threefold dilutions.
1640	1	Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.).The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI31(6. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). 
1641	1	Biochemical Assay	The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reaction Buffer; 2) native PIP2 (substrate); 3) Stop (EDTA); 4) Detection Mix A (Streptavidin-APC); 5) Detection Mix B (Eu-labeled Anti-GST plus GST-tagged PH-domain); 6) Detection Mix C. In addition, the following items were obtained or purchased; PI3Kinase (alpha 14-602, beta 14-603, gamma 14-558 and delta 14-604 from Upstate; Millipore), dithiothreitol (Sigma, D-5545), Adenosine-5&#8242; triphosphate (InVitrogen, Cat#AS001A), native PIP3 (PI(3,4,5)P3, diC8, H+, CELLSIGNALS, INC. Cat #907) DMSO (Sigma, 472301).PI3Kinase Reaction Buffer is prepared by dilution the stock 1:4 with de-ionized water. DTT, PIP2 and Biotin-PIP3 were added to 1536 assay plate at a final concentration of 5 mM, 5 mM and 25 nM on the day of use. Enzyme addition and compound pre-incubation are initiated by the addition of 1.25 ul of PI3K (at twice its final concentration) in the 1× reaction buffer to all wells using a BioRaptor. Plates are incubated at room temperature for 15 minutes. Reactions are initiated by addition of 1.25 ul of 2× substrate solution (PIP2 and ATP in 1× reaction buffer) using BioRaptor. Plates are incubated in humidified chamber at room temperature for one hour. Reactions are quenched by addition of 0.625 uL of stop solution to all wells using the BioRaptor. The quenched reactions are then processed to detect product formation by adding 0.625 uL of Detection Solution to all wells using the BioRaptor (Detection mix C, Detection Mix A, and Detection Mix B combined together in an 18:1:1 ratio prepared 2 hours prior to use). Following a one hour incubation in the dark, the HTRF signal is measured on the Envision plate reader set for 330 nm excitation and dual emission detection at 620 nM (Eu) and 665 nM (APC).
1642	1	Inhibition Assay	NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expressed and purified as described in U.S. Pat. No. 7,470,790 and the literature references cited therein, each of which is incorporated herein by reference in its entirety. Nitric oxide formation from NOS was monitored using literature techniques. Again, reference is made to the aforementioned &#39;790 patent and the references cited therein. (See, e.g., Hevel, J. M.; Marietta, M. A. Nitric Oxide Synthase Assays. Methods Enzymol. 1994, 133, 250-258).
1643	1	Biological Assay	The N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides described herein exhibit androgen receptor (AR) inhibiting properties. This AR inhibiting activity was measured in a transactivation test by the dissociation constants KdR (rest), KdA (active), and Kdapp (apparent).A compound may be said to be an AR inhibitor if it has a dissociation constant, Kdapp, of less than or equal to 1 &#956;M, and a KdR/KdA ratio of less than or equal to 10 in a transactivation test.Preferred AR type receptor inhibitors have a dissociation constant of less than or equal to 500 nM, and more preferably less than or equal to 100 nM.
1644	1	Receptor Inhibition Assay	Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a 384-well PDL-coated microtiter plate at a concentration of 3000 cells/well and cultured in the medium (8.3% fetal bovine serum, 8.3% horse serum, and 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.5% BSA, and 0.04% Pluronic P-127, pH 7.5) and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 20 &#956;L of the washing buffer. The plate was placed in High-Throughput Screening System FLIPR 384 (Molecular Device Co.). Measurement of fluorescence intensity by FLIPR 884 was started, and 20 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 0.9 mM MgCl2, 5.0 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 150 nM ATP solution (25 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. 
1644	2	Receptor Inhibition Assay	Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The C6BU-1 cells were seeded in a 96-well microtiter plate at a concentration of 2500 cells/well and cultured in the medium (7.0% fetal bovine serum, 7.0% horse serum, and 1% antibiotic and antifungal in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. The plasmid was transfected into the cells using transfection reagent FuGENE6 (Promega). The transfected cells were cultured in the medium for one day at 37° C. under 5% carbon dioxide atmosphere. The medium was replaced with 4 &#956;M Fluo-3-AM solution (pH 7.5) containing 20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 1% BSA, and 0.08% Pluronic F-127, and incubated at 37° C. under 5% dioxide carbon atmosphere for one hour. The plate was washed with washing buffer (20 mM HEPES, 137 mM NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, pH 7.5), and each well was added with 40 &#956;L of this buffer. The plate was placed in High-Throughput Screening System FDSS 3000 (Hamamatsu Photonics K.K.). Measurement of fluorescence intensity by FDSS 3000 was started, and 40 &#956;L of DMSO solutions containing different concentrations of the test compound as prepared by dilution with dilution buffer (20 mM HEPES, 137 mM 137 NaCl, 5.27 mM KCl, 0.9 mM MgCl2, 1.26 mM CaCl2, 5.6 mM D-glucose, 2.5 mM probenecid, 0.1% Pluronic F-127, pH 7.5) were dispensed to each well through the built-in automatic dispenser. Five minutes after, 50 nM ATP solution (50 &#956;L) prepared by dilution with the dilution buffer was dispensed through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 4 min. For each well, the specific maximum fluorescence intensity was calculated as the ratio of the maximum fluorescence intensity after addition of the ATP solution to the fluorescence intensity at the starting of the measurement. 
1646	1	In Vitro Assay	The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15630-056) and 0.1% BSA (7.5% stock, Invitrogen Cat#15260-037); (b) Buffer 2: 0.5 mM IBMX (200 mM stock in DMSO, Sigma 15879) in Buffer 1; (c) 1 &#956;M cAMP Standard (50 &#956;M stock, Perkin Elmer Cat#AD0262) diluted in Buffer 2 and serially diluted in Buffer 2, 12 doses @ dilutions resulting in a dose range of 1 &#956;M to 0.5 nM; (d) d2 labelled cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 6 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); (e) anti-cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 5 ml dH2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); and (f) Forskolin (Sigma Cat#F6886, 10 mM in DMSO) diluted first in DMSO to 1 mM and then to 1.5 &#956;M in Buffer 2.
1647	1	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) is then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
1647	2	Enzyme Inhibition Assay	c-Src and Syk Enzyme InhibitionThe inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1647	3	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels.
1648	1	Inhibition Assay	mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were diluted with potassium phosphate buffer containing reduced glutathione (pH7.4), and DMSO containing test compound or DMSO alone was added (such that DMSO final concentration would be 1% in each) and incubated at 4° C. for 20 minutes. Then, the enzymatic reactions were initiated by the addition of PGH2 substrate (final concentration 1 &#956;M) and incubated at 4° C. for 60 seconds. The reaction was terminated by the addition of a citrate solution (final citrate concentration 50 mM) containing ferric chloride (final concentration 1 mg/mL). PGE2 production in the enzyme reaction aliquot was measured using HTRF kit (Cisbio International, catalogue #62P2APEC). The solution free of test compound was used as positive control, and the solution free of test compound and microsome sample was used as negative control. 100% activity was defined as PGE2 production in the positive control minus PGE2 production in negative control. IC50 value was calculated by standard method.
1649	1	Biochemical Assay	General Materials.S-adenosylmethionine (SAM), S-adenosylhomocysteine (SAH), bicine, KCl, Tween20, dimethylsulfoxide (DMSO), bovine skin gelatin (BSG), and Tris(2-carboxyethyl)phosphine hydrochloride solution (TCEP) were purchased from Sigma-Aldrich at the highest level of purity possible. 3H-SAM was purchase from American Radiolabeled Chemicals with a specific activity of 80 Ci/mmol. 384-well streptavidin Flashplates were purchased from PerkinElmer.Substrates.Peptide representative of human histone H4 residues 1-15 was synthesized with a C-terminal linker-affinity tag motif and a C-terminal amide cap by 21st Century Biochemicals. The peptide was high high-performance liquid chromatography (HPLC) purified to greater than 95% purity and confirmed by liquid chromatography mass spectrometry (LC-MS). The sequence was Ac-SGRGKGGKGLGKGGA[K-Biot]-amide (SEQ ID NO.:3).Molecular Biology:Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flanking 5&#8242; sequence encoding a FLAG tag (MDYKDDDDK) (SEQ ID NO.:4) fused directly to Ala 2 of PRMT5. Full-length human MEP50 (NM_024102) clone was amplified from a human testis cDNA library incorporating a 5&#8242; sequence encoding a 6-histidine tag (MHHHHHH) (SEQ ID NO.:5) fused directly to Arg 2 of MEP50. The amplified genes were sublconed into pENTR/D/TEV (Life Technologies) and subsequently transferred by Gateway attL×attR recombination to pDEST8 baculvirus expression vector (Life Technologies).
1650	1	Inhibition Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 &#956;g/ml G418, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37° C. in 5% CO2.Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 &#956;l of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/l, 5 mM probenecid (Sigma) and 3 M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37° C. in 5% CO2 followed by equilibration at RT for 30 min before measurement.
1653	1	Enzyme Activity Assay	Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
1657	1	Binding Assay	Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assays. Cell pellets were homogenized in 50 mM Tris/5 mM EDTA buffer and supernatants from an 800 g spin were collected and recentrifuged at 30,000 g for 30 min. Pellets were rehomogenized in 50 mM Tris/5 mM EDTA buffer. For competition binding studies, cell membranes were incubated with 2x KD (10 nM),[3H] histamine (Specific activity: 14.2 to 23 Ci/mmol), with or without test compounds for 45 to 60 min at 4 to 25° C. Ki values were calculated based on an experimentally determined appropriate KD values according to Cheng and Prusoff (Biochem. Pharmacol. 1973, 22(23):3099-3108). 
1658	1	HTRF FRET Assay	The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide.A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE-1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE-1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE-1 enzyme. Inhibition of BACE-1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
1658	2	BACE-2 Assay	The compounds of the invention were determined to be potent inhibitors of BACE-2 using the following assay. Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. 
1658	3	Cathepsin-D Assay	The following reagents were used in this assay: Na+-Acetate pH 5.0; 1% Brij-35; Dimethyl Sulfoxide (DMSO); Purified human Cathepsin-D (>95% pure); Aspartyl protease peptide substrate AC-Cys(Eu_Chelate)-Gly-Lys-Pro_ile_leu_phe-Phe-Arg-Leu-Lys(QSY7)-ASP-ASP-NH2.As noted above, certain compounds of the invention exhibit good selectivity of BACE-1 over Cathepsin-D. A homogeneous time-resolved FRET assay was used to determine IC50 values of the compounds of the invention as inhibitors of purified human Cathepsin-D. This assay monitors the increase of 620 nm fluorescence that resulted from Cathepsin-D cleavage of an aspartyl protease peptide FRET substrate (AC-Cys(Eu_Chelate)-Gly-Lys-Pro_ile_leu_phe-Phe-Arg-Leu-Lys(QSY7)-ASP-ASP-NH2). This substrate contains an C-terminal QSY7 moiety that serves as a quencher of the N-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 1 hour in the presence of uninhibited Cathepsin-D enzyme. Inhibition of Cathespin D cleavage of the Eu-Aspartyl Protease-QSY7 substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
1659	1	Inhibition Assay	Test compounds were serially diluted in DMSO and then spiked (2 &#956;L) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and incubated for 10 minutes. Assay was initiated with the addition of 0.1 mL of 100 &#956;M 14C-TEA in KHB buffer (20 &#956;M final concentration after mixing). The concentration of TEA is based on the Km. After 10 minutes of incubation, the assay mixture was quenched with addition of 0.5 mL of ice-cold IX PBS buffer. Samples were then centrifuged at 1000 rpm for 5 min and supernatants were removed. Wash steps were repeated four times with ice-cold PBS.
1660	1	Binding Assay	The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chain reaction and cloned into pFastBac1 (Invitrogen) with a NH2-terminal 6-His tag for expression in Spodoptera frugiperda (Sf-9) cells. FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid). The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand, [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode. Data are expressed as a HTRF ratio.For human FLAP binding assays, data are analyzed with 3DX Explorer software. A ratio is calculated with the relative light units at 520 nm over the relative light units at 495 nm. For analysis, data from multiple runs are averaged and each compound may be tested in 2 to 20 runs. Each run comprises two plates and each plate includes duplicates. Data from each plate is averaged and data are imported into 3DX. The data from multiple runs are aggregated as the average of duplicates of the calculated ratios in order to calculate Ki and IC50 values. The letters ND and/or the absence of data in any of the boxes in Table 5 and Table 6 indicates that Ki or IC50 values were not determined.
1665	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK-biotin-NH2 (biotin-DNA-PK peptide), were incubated for 90 min at room temperature in a total volume of 36.5 ul (34.25 mM HEPES/KOH; 7.85 mM Tris HCl; 68.5 mM KCl; 5 uM ATP; 6.85 mM MgCl2; 0.5 mM EDTA; 0.14 mM EGTA; 0.69 mM DTT; pH 7.4) with 500 ng of DNA from calf thymus, 0.1 uCi of 33P-ATP and 1.8% of DMSO per well with and without the test compound. The reaction was stopped using 50 ul/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 ul of 0.9% saline solution. A nonspecific reaction (blank value) was determined using 10 uM of an innate kinase inhibitor. The radioactivity measurement was carried out using a TopCount. IC50 values were calculated in RS1.
1665	2	Patch Clamp Assay	The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been transfected in a stable manner with the hERG gene.The whole-cell configurations were carried out using an automated patch clamp device (Patchliner, Nanion Technologies, Munich). This is a glass chip-based system with which automated whole-cell measurements on up to 8 cells simultaneously are possible. The glass chip has a hole of defined size to which the cell is transferred into the Gigaseal by application of a reduced pressure and brought into the whole-cell configuration. Buffer, cell suspension and test substances were added to microchannels of the chip using a Teflon-coated pipette. The cells were clamped to a holding potential of -80 mV. For measurement of substance-promoted inhibition of the Kv11.1 channel, the following voltage protocol was applied at 10-second intervals: 51 ms/-80 mV, 500 ms/+40 mV, 500 ms/-40 mV, 200 ms/-80 mV. The leakage current is subtracted by means of the P4 method. The cells were resuspended in extracellular buffer (EC) and applied to the chip. After the cell had been collected, the seal was improved by addition of a seal enhancer buffer. As soon as the whole-cell configuration had been reached, the seal enhancer buffer was washed out and replaced by extracellular buffer. The measurement started in EC for 1.5 min. DMSO (vehicle control, 0.1% of DMSO) was then applied, and the control current was recorded for 3 min. The test substance was subsequently added twice in the same concentration, and the potassium current was measured for 3.5 min in each case.
1666	1	Enzyme Assay	The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture was prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions were initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM respectively. Reactions were incubated for 180 min and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution was then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate was prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate was aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate was air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) was then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
1667	1	Enzyme Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
1672	1	Enzyme Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
1631	1	Kinase Assay	A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) was used which can be purchased e.g. form the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &#956;g/ml. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein 56 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
1676	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software. 
1677	1	Inhibition Assay	Two-electrode voltage-clamp recordings were made from Xenopus laevis oocytes expressing recombinant rat GluN1/GluN2A, GluN1/GluN2B, GluN1/GluN2C, GluN1/GluN2D, GluA1, or GluK2 receptors following injection of 5-10 ng of cRNA synthesized according to manufacturers&#39; protocols (Ambin, mMessage, mMachine). cDNAs used were rat GluN1-1a (GenBank accession numbers U11418 and U08261; hereafter GluN1), GluN2A (D13211), GluN2B (U11419), GluN2C (M91563), GluN2D (L31611), GluA1 (X17184), GluK2 (Z11548). The current under voltage-clamp was recorded during perfusion with recording solution containing (in mM) 90 NaCl, 1.0 KCl, 0.5 BaCl2, 0.005 EDTA, and 10 HEPES at pH 7.4 (23° C.). Glass micropipettes had resistances of 0.3-1.0 MS2 and were filled with 3.0 M KCl. The membrane potential was clamped at &#8722;40 mV during the experiment. Recordings were digitized at 10 Hz and analyzed off line. 20 mM stock solutions of test compounds in 100% DMSO were made and diluted to obtain the final concentration; final DMSO content was 0.05-0.5% (vol/vol). Oocytes expressing GluK2 homomeric receptors were first treated with 10 &#956;M concanavalin A (10 minutes). NMDA receptor responses were obtained by challenging oocytes with 100 &#956;M glutamate plus 30 &#956;M glycine; GluA1 and GluK2 receptors responses were recorded during application of 100 &#956;M glutamate. We recorded the response to 5-7 concentrations of test drug co-applied with glutamate and glycine in 5 or more oocytes obtained from two different frogs. 
1678	1	Biochemical Deacetylation Assay	Modulation of sirtuin activity by compounds was assessed using the Flour de Lys fluorescent biochemical assay in a 96-well format as described (Outeiro et al., 2007). The deacetylation reaction was performed at 37° C. for an hour in the presence of human recombinant enzymes: SIRT1 (BioMol-SE-239) 1 unit/per reaction, SIRT2 (BioMol-SE-251) 5 units/per reaction, or SIRT3 (BioMol-SE-270) 5 units/per reaction, compound of interest, standard buffer, 50 &#956;M substrate, and 500 &#956;M NAD+ according to the manufacturer&#39;s protocol.The neuroprotective properties of several selective sirtuin-2 (SIRT2) deacetylase inhibitors in Parkinson&#39;s and Huntington&#39;s disease models were previously characterized (Chopra et al., 2012; Luthi-Carter et al., 2010; Outeiro et al., 2007). For analyzing the SIRT2 inhibition mechanism of MIND4 in a continuous coupled enzymatic assay with an &#945;-tubulin peptide substrate, the recombinant enzyme was prepared and its activity analyzed as described previously [Moniot, 2013]. The IC50 for MIND4 was determined using &#945;-tubulin and NAD+ at 150 &#956;M and 500 &#956;M, respectively. The titration with NAD+ was performed at 150 &#956;M &#945;-tubulin peptide, and the peptide titration at 1 mM NAD+. Data analysis and fitting was done in Grafit 7 (Erithacus Software, Horley, UK).
1680	1	Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
1683	1	FGFR1 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1683	2	FGFR2 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR2 (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 0.4 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1683	3	FGFR3 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 25 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1683	4	FGFR4 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1683	5	KDR (VEGFR2) (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, KDR (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 3 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 120 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1687	1	Radioligand SPA Binding Assay	To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize PGE2 activity, radioligand displacement assays were performed. Compound affinity was expressed as a Ki value, defined as the concentration of compound required to decrease [3H] PGE2 binding by 50% for a specific membrane batch at a given concentration of radioligand.Test compounds were half log serially diluted in 100% DMSO (J. T. Baker #922401). 1 &#956;L of each compound was added to appropriate wells of a 384-well plate (Matrix Cat #4322). Unlabeled PGE2 (Tocris Cat #2296) at a final concentration of 1 &#956;M was used to determine non-specific binding. 1 &#956;L of 100% DMSO (J. T. Baker #922401) was used to determine total binding. Millipore EP3 Chem1 membranes (prepared in-house from cell paste derived from the Millipore ChemiSCREEN Human Recombinant EP3 Prostanoid Receptor Calcium-Optimized Stable Cell Line (Millipore Cat # HTS092C, http://www.millipore.com/catalogue/item/hts092c)) were thawed and diluted in binding buffer (50 mM Hepes pH 7.4 (Lonza Cat #17-737), 5 mM MgCl2 (Sigma-M1028), and 0.1% BSA (Sigma A-7409)) to a final concentration of 1 &#956;g/25 &#956;L. 25 &#956;L of diluted membranes were added to prepared compound plates. WGA coated PVT SPA Beads (Perkin Elmer Cat # RPNQ0060) were diluted in binding buffer to a concentration of 4 &#956;g/ul, and 25 &#956;L of the SPA bead mixture was then added to each well for a final assay concentration of 100 &#956;g/well. [3H]-PGE2 (Perkin Elmer Cat #NET428) was diluted in binding buffer to a concentration of 3.375 pM, and 254 was added to all wells for a final assay concentration of 1.125 nM. Plates were incubated for 30 minutes at r.t. (approximately 25° C.) with shaking
1688	1	AlphaScreen Assay	Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (Biotek, Winooski, Vt.) with a sensitivity setting of 200 using AlphaScreen protocol with excitation at 680 nm and emission at 570 nm. All dilutions were made in 1× assay buffer containing 25 mM HEPES (pH 7.4), 100 mMNaCl and 0.1% BSA to minimize nonspecific interactions. For inhibitor competition experiment, 5 nM of C-terminal biotinylated Tcf4 45-mer, 20 nM of N-terminal His6-tagged &#946;-catenin and inhibitors at different concentration were incubated in 20 &#956;L of assay buffer for 2 h. Donor and acceptor beads were added to a final concentration of 10 &#956;g/mL in 25 &#956;L of assay buffer. The mixture was incubated at room temperature for 1 h. For each inhibitor competition assay, the negative controls (equivalent to 0% inhibition) refer to 5.0 nM of biotinylated Tcf4 45-mer, 20 nM of &#946;-catenin, 10 g/mL donor and acceptor beads, but no tested peptide inhibitor was presented. The positive controls (equivalent to 100% inhibition) refer to only 5.0 nM of biotinylated Tcf4 45-mer and 10 g/mL donor and acceptor beads in a final volume of 25 &#956;L. The IC50 value was determined by nonlinear least-square analysis of GraphPad Prism 5.0. Experiments were performed in triplicate and carried out in the presence of 1% DMSO.
1689	1	Histone Methyl Transferase Assay	The effectiveness of compounds of the present invention as inhibitors of hitone methyl transferases can be readily tested by assays known to those skilled in the art. For example, in vitro histone methyl transferase assays may be conducted with a relevant purified histone methyl transferase and an appropriate synthetic substrate to determine the inhibitory activity of the compounds. Assays for inhibition of EZH2 by the instant compounds were performed in 384-well plates with reaction mixtures containing 350 nM of histone peptide substrate (ATKAAR-K(Me2)-SAPATGGVKKPHRYRPG-GK(Biotin), 500 nM S-[methyl-3H]adenosyl-L-methionine (55-85 Ci/mmol), 50 mM Tris-HCl (pH 9.0), 50 mM NaCl, 1 mM dithiothreitol, Tween-20 at 0.01% and fatty-acid free bovine serum albumin at 0.01%, and recombinant EZH2-641F complex (EZH2 Y641F/EED/SUZ12/RbAp48/AEBP2) at 5 nM (&#8807;98% purity, BPS Bioscience) or 15 nM (50% purity, in-house). Reaction mixtures were incubated at room temperature for 3 hours, and the reactions were terminated by 0.005% poly-L-lysine solution in 20 mM Tris-HCl (pH 7.5) and 150 mM NaCl. Reaction products were captured by binding to strepavidin-conjugated imaging beads. Incorporation of radioactive methyl group into the histone peptide substrate was determined in Leadseeker (GE Healthcare) by means of scintiallation proximity assay.
1690	1	Radioligand Binding Assay	In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 &#956;M. Test compounds (1 &#956;L) and controls (1 &#956;L) in 100% DMSO were added to 96 Greiner V-bottom polypropylene plates. 0% control was 6.7% DMSO (final concentration in assay) and 100% control was 6.7 &#956;M Dexamethasone.The full length GR was diluted to a final concentration of 3.3% (0.495 mg/ml) in assay buffer (20 mM Tris-HCl, 1 mM EDTA, 10% (w/v) Glycerol, 20 mM Sodium molybdate, pH 7.4). 45 &#956;L of GR was added to each well and the plates were incubated for 15 min at room temperature.  3H-dexamethasone solution was diluted to a concentration of 70 nM in assay buffer (7 nM final assay concentration) and 5 &#956;L was added to each well. The samples were mixed for 5 min using a plate shaker at 700 rpm, before incubation for 2 h at room temperature.50 &#956;L ice-cold charcoal solution (pH 7.4: 2% Charcoal, 0.2% Dextran T70 in 20 mM Tris-HCl, 1 mM EDTA and 20 mM Sodium molybdate) was added to each well and the samples were mixed on plate shaker for 5 minutes.
1691	1	Enzymatic Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. 
1691	2	Enzymatic Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. 
1691	3	Enzymatic Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. 
1691	4	Enzymatic Assay	The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM JMJD2A, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 6 nM JMJD2A to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature.
1693	1	MAO-A Assay	Recombinant human MAO-A enzyme, expressed in baculovirus-infected insect cells, was purchased from Sigma-Aldrich (M7316). The assay was carried out in 96-well plates in a final volume of 200 &#956;L at room temperature. According to the experiment protocol, a solution of test compound (2.0 &#956;L) in DMSO (100%) was added to 90.0 &#956;L of protein solution (0.3 &#956;g prot/well, containing 6.6 &#956;L protein and 9.993 &#956;L phosphate buffer) and incubated for 30 min prior to the addition of 90 &#956;L of freshly prepared Amplex Red reagent. The Amplex Red reagent was prepared as described for rat MAO-A. The enzymatic reaction was started by the addition of 20.0 &#956;L/well of an aqueous solution of the substrate p-tyramine (150 &#956;M final concentration). The p-tyramine solution was prepared from p-tyramine hydrochloride (45 &#956;L) in water (100 mM) and phosphate buffer (2955 &#956;L). Fluorescence measurements were performed for 45 min and the concentration-response curve of clorgyline (1.0 &#956;L) serves as a positive control. DMSO (2.0 &#956;L) was used as a negative control.
1693	2	MAO-B Assay	Recombinant human MAO-B enzyme, expressed in baculovirus-infected insect cells, was purchased from Sigma-Aldrich (M7441). The assay was performed as described for human MAO-A except that deprenyl (1.0 &#956;L) was used as a positive control; 90.0 &#956;L protein suspension for MAO-B contains 20.0 &#956;L protein and 9,980 mL buffer (0.9 &#956;g prot/well).
1695	1	In Vitro Inhibitory Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
1695	2	In Vitro Inhibitory Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
1697	1	Functional Assay	HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRPV1/HEK293). hTRPV1/HEK293 cells were routinely grown as monolayers under selection in zeocin (200 &#956;g/mL; Invitrogen) in Dulbecco&#39;s Modified Eagle Medium (DMEM, Gibco BRL) supplemented with 10% fetal bovine serum, and penicillin/streptomycin (50 units/mL) in 5% CO2 at 37° C. Cells were passaged frequently, every 3-5 days, to avoid overgrowth, depletion of essential medium components, or acidic medium exposure. Cells were passaged using a brief wash in 0.05% trypsin with 1 mM EDTA, followed by dissociation in divalent-free phosphate-buffered saline (Hyclone #SH30028.02). Dissociated cells were seeded onto poly-D-lysine coated black-walled 96-well plates (Biocoat; Becton Dickinson #354640) at about 40,000 cells per well and grown for approximately 1 day in culture medium to near confluency. The assay buffer was composed of 130 mM NaCl, 2 mM KCl, 2 mM MgCl2, 10 mM HEPES, 5 mM glucose, and either 2 mM or 20 &#956;M CaCl2. On the day of the experiment, the culture medium was replaced with 2 mM calcium assay buffer using an automated plate washer (ELx405; Biotek, VT). The cells were incubated in 100 &#956;L/well Fluo-3/AM (2 &#956;M; TEFLabs #0116) with Pluronic F127 (100 &#956;g/mL; Sigma #P2443) for 1 h at rt in the dark. After loading the cells, the dye solution was replaced with 50 &#956;L/well of 20 &#956;M calcium assay buffer using the ELx405 plate washer.
1697	2	Functional Assay	The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection marker and were grown in Dulbecco&#39;s Modified Eagle Medium (DMEM, Gibco BRL) supplemented with 10% fetal bovine serum, penicillin/streptomycin (50 units/mL), and 500 &#956;g/mL geneticin in 5% CO2 at 37° C. Results for the compounds tested in this assay are also presented in Table 1. IC50 values shown are the average (mean) of the results obtained. Where activity is shown as greater than (>) a particular value, the value is the solubility limit of the compound in the assay medium.
1698	1	Enzyme Inhibition Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
1698	2	Enzyme Inhibition Assay	Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX) at a concentration of 0.00008-0.0004 M.
1700	1	LE Assay	For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute pre-reaction incubation of 5 uL of 2.2× enzyme and 1 uL of 100% DMSO containing test compound or control compound, {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid. Some assays were performed with inclusion of didecanoylglycerol in the pre-reaction incubation of test compounds and enzyme. Reactions were initiated after 30 minute pre-reaction incubation via addition of 5 uL of 2.2× substrate. Final reaction conditions consisted of 50 mM HEPES pH 7.5, 2 mM MgCl2, 1 mM CHAPS, 25 uM didecanoylglycerol, 0.5 uM decanoyl-CoA, 0.3 nCi/uL [14C]-decanoyl-CoA or 0.5 nCi/uL [3H]-decanoyl-CoA, 0.05-4 ug/mL microsomal protein, and 1% DMSO. Following 60 minute reaction incubation, reactions were stopped with 40 uL of 45% isopropanol and 50 mM sodium carbonate in water and mixed. Extraction of tridecanoylglycerol product was accomplished via addition of 30 uL Microscint-E (Perkin Elmer) and 2 hours of incubation (sealed). 
1701	1	Assay of ABAD Enzymatic Activity	The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 &#956;M), NADH (102 &#956;M), and different concentrations of inhibitors (from 0 to 1000 &#956;M) in 93 mM potassium phosphate buffer (pH 7.3). Before the assay, all the assay components except SAAC were pre-incubated for 5 minutes, and the reaction started with the addition of SAAC into the reaction mix. The reaction was carried out for a total 6 minutes at room temperature under steady-state conditions, and the decrease of NADH absorbance at 340 nm was determined every 10 seconds. Kinetic data were analyzed by PRISM (Scitech, San Diego, Calif.) to determine IC50 values and Ki. One unit of enzyme activity was defined as that which converted 1.0 &#956;mol of substrate to product per minute.
1701	2	Inhibition Assay	To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] technology) was used.
1703	1	Enzyme Assay	PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined with a commercially available in vitro enzymatic assay (IMAP Fluorescence Polarization assay, Molecular Devices Corp.). Fluorescently labeled cAMP or cGMP is hydrolyzed by PDE preparations and in a second step, binding of labeled product to a large binding partner allows product detection by fluorescence polarization (FP) measurements.Stock solutions of the test compounds are made in DMSO and diluted in assay buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.1% BSA 0.05% NaN3, pH 7.2) to the desired concentrations. The solutions used in the assay contain the test compound in assay buffer with 2% DMSO. 5 &#956;l of this pre-diluted test compound solution are mixed with 10 &#956;l of substrate (FL-cAMP or FL-cGMP) at concentrations recommended by the manufacturer and with 5 &#956;l of appropriately diluted PDE. 5 &#956;l of reaction buffer with 2% DMSO are used for control reactions. The final concentration of DMSO in the assay is 0.5%, which does not significantly alter the PDE activity. After incubation for 90 minutes at room temperature, 60 &#956;l of binding reagent are added as specified by the manufacturer. Binding is allowed to proceed for 30 minutes and fluorescence polarization is measured.
1688	2	Fluorescence Polarization (FP) Assay	Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Winooski, Vt.). The fluorescence polarization (FP) was measured at room temperature with an excitation wavelength at 485 nm and an emission wavelength at 535 nm. The FP saturation experiment was performed in an assay buffer of 137 mM of NaCl, 2.7 mM of KCl, 10 mM of Na2HPO4, 2 mM of KH2PO4, 100 ug/mL of bovine gamma globulin, and 0.01% Triton-X 100. The final reaction volume is 100 uL.
1704	1	Inhibition Assay	Substrate:(MeO-Suc-Arg-Pro-Tyr-pNA), acetate salt, Peptide international, lot #906841, previously named S-2586Enzyme: Active human KLK7 (SCCE) 0.62 mg/ml in 0.3 M NaCl, 10 mM NaAc, pH 4Buffer: 10 mM NaPhospate, 0.5 M NaCl, pH 7.2150 &#956;l of Substrate (2.5 mM) in Buffer was added to 96 wells plate (F8 Polysorp Unfra, Nunc cat. no. 469957). 10 &#956;l of DMSO was added to the blank and control wells.10 &#956;l of substance in DMSO was added to wells giving final concentrations of 20 &#956;M, 10 &#956;M, 5 &#956;M, 2.5 &#956;M, 1.25 &#956;M, 0.625 &#956;M, 0.3125 &#956;M, and 0.15625 &#956;M.40 &#956;l of active KLK7 (SCCE) (diluted to 12.5 &#956;g/ml in activity buffer) was added all wells except blank to which activity buffer was added.Immediately after addition of SCCE the plate was transferred to a Spectramax 250 Microplate Reader (Molecular Devices) and enzyme activity (V) was measured as release of pNa measuring absorbance at 405 nm in 37° C. for 15 min with reading every 30 s.The mean value V of each sample was calculated (n=2 for the substances and n=4 for the control). From the values of V the % of total activity was calculated as (Vinhibitor/Vcontrol (no inhibitor))×100.
1705	1	Inhibition Assay	The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemia (ALL) cells and a potential cause of ALL chemoresistance. Hence, we investigated whether the development of small molecule Mer inhibitors was possible.
1706	1	Cell-Free Assay	Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer&#39;s Disease patients. This assay measures the inhibition of the beta-secretase enzyme as it cleaves a non-native peptide.A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1deltaTM96His). Compounds are incubated in a log dose response curve from a top concentration of 100 &#956;M with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &#956;L assay buffer [100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001% Tween-20]. Plates are covered and incubated for 3 hours at 37° C. The reaction is stopped with the addition of 30 &#956;L of 1.5 &#956;M Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm). 
1706	2	Inhibtion Assay	CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).
1707	1	Enzyme Assay	Purified human glycoprotein IIb/IIIa (20 mM Tris-HCl, 0.1 M NaCl, 0.1% Triton X-100, 1 mM CaCl2, 0.05% NaN3, 50% Glycerol, pH 7.4) was purchased from Enzyme Research Laboratories Inc. (South Bend, Ind.). The GPIIb/IIIa receptor was diluted in phosphate-buffered saline (Dulbecco&#39;s Phosphate Buffered Saline (D-PBS (+)) with calcium and magnesium, GIBCO , Invitrogen) with 0.01% bovine serum albumin (albumin from bovine serum-lyophilized powder, >96%, Sigma).The GPIIb/IIIa receptor was immobilized 48 hours at least (100 &#956;L per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSorp, Nunc, Roskilde, Denmark) at 277 K to 280 K and at a concentration of 0.1 &#956;g per well to 1 &#956;g per well. As negative control one row of the plate (n=8) was incubated just with 2% bovine serum albumin (200 &#956;L per well, albumin from bovine serum-lyophilized powder, >96%, Sigma, diluted in D-PBS (+)).After washing three times with the wash buffer (230 &#956;L per well, Dulbecco&#39;s Phosphate Buffered Saline (D-PBS (&#8722;)) contains no calcium or magnesium, GIBCO , Invitrogen) residual exposed plastic and unspecific binding sites were blocked by incubating the plate with a special blocking solution (200 &#956;L per well, Roti -Block, Carl Roth GmbH Co KG, Karlsruhe) containing 2% bovine serum albumin (Albumin from bovine serum-lyophilized powder, >96%, Sigma) 1 hour at room temperature.
1710	1	Biochemical TR-FRET Assay	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing any recombinant protein were lysed and the lysate was added to the purified ROR&#947;-LBD at 0.25 &#956;l lysate (from 10,000 SF9 cells)/nM purified protein. The mixture was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT) to obtain ROR&#947;-LBD final concentration of 3 nM in 384-well assay plate.
1711	1	HTRF-Based Assay 	V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 cells were transfected with plasmids pTriEx3-Hygro-hCyp11B2 or pTriEx3-Hygro-hCyp11B1 using Lipofectamine2000 reagent. V79 cells that stably express the human CYP11B2 or human CYP11B1 enzyme were selected for and maintained in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin for 2 weeks. Single cell clones were generated by infinite dilution in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin until single colonies were obtained. Clones V79-hCYP11B2-CLE9 and V79-hCYP11B1-CL8C7, were determined to produce the most aldosterone and cortisol, respectively, and were selected for inhibitor screening. For testing of inhibitors, cells were harvested at 80% confluency with 0.05% Trypsan-EDTA, washed once in PBS, and reconstituted in DMEM+0.1% BSA media at a cell concentration of 600,000 cells/mL for the CYP11B2 assay and 280,000 cells/mL for the CYP11B1 assay. 25 &#956;L of cells were added to a 384 well tissue culture treated plate and mixed with 0.3 &#956;L of inhibitor or DMSO (1% final DMSO concentration) for 1 hour at 37° C., 5% CO2. After pre-incubation with inhibitor, the reaction was initiated by adding 5 &#956;L of substrate (final concentration of 125 nM 11-deoxycorticosterone for the CYP11B2 assay or 250 nM 11-deoxycortisol for the CYP11B1 assay). The reaction was carried out for 3 hours at 37° C., 5% CO2 and was stopped by harvesting the supernatants. The amount of product in the supernatant (aldosterone for CYP11B2 assay and cortisol for the CYP11B1 assay) was measured using HTRF-based assay kit (Aldosterone HTRF-CisBio#64ALDPEB, Cortisol HTRF-CisBio #63IDC002-CORT). 
1712	1	Kinase Assay	The ability of compounds to inhibit the kinase activity of recombinant human baculovirus-expressed AXL was measured by homogeneous TRF (HTRF) using Cisbio&#39;s KinEASE assay system in white 384-well Optiplates. Assay buffer contained 1 mM DTT, 2 mM MnCl2, 2% DMSO, 50 nM supplement enzymatic buffer, and 1× enzymatic buffer. A 2× concentration of tyrosine kinase (TK) substrate-biotin/ATP mixture made in assay buffer was added to plates at 10 &#956;L/well using the Multidrop Combi (Thermo Fisher Scientific, Waltham, Mass.). The final concentrations were 0.3 &#956;M TK substrate-biotin, and 1.3 &#956;M ATP. Compounds (100 nL), diluted in 100% DMSO on the Biomek FX, (Beckman Coulter, Inc., Brea, Calif.), were transferred to the assay plates using the Biomek FX pintool (2.5% final DMSO in assay). A 2× concentration (final=12 ng/mL) of GST-AXL (diluted in assay buffer) was added to plates at 10 uL/well using the Multidrop Combi. Plates were sealed, briefly shaken and incubated at 25° C. for 30 minutes. A 4× stock of Streptavidin-XL665 (final=18.8 nM) and a 1:100 diluted stock of TK antibody-cryptate were made in HTRF detection buffer and mixed together just prior to adding 20 &#956;L/well on the Multidrop Combi. Plates were sealed, briefly shaken and incubated at 25° C. for 1 hour. The fluorescence of the resulting solution was measured using the PerkinElmer EnVision 2102 multi-label plate reader (PerkinElmer, Waltham, Mass.) with an excitation wavelength of 337 nm (laser) and emission wavelengths of 590 and 665 nm. Raw data was expressed as the ratio of 665/590×10,000.
1712	2	Kinase Assay	The cMET kinase assay was performed in 384-well Fluotrac 200 HiBase microplates using the HTRF KinEASE assay described above for AXL except that the assay volume was reduced to half. Enzyme concentration was 8 ng/mL of recombinant human baculovirus-expressed cMET while the substrate concentrations were 0.1 &#956;M and 0.02 &#956;M for the biotinylated peptide and ATP, respectively. Instead of the Multidrop Combi, the BioRAPTR FRD microfluidic workstation (Beckman Coulter, Brea, Calif.) was utilized for reagent additions.
1714	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well.
1715	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10× HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
1715	2	Electrophysiology Assay	Cells Manual Electrophysiology: The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc., Herndon, Va.) and incubated in a 5% CO2 incubator at 37° C. Cultured cells are used approximately 12-48 hours after plating.Cells Automated Electrophysiology: The hNav1.7 expressing HEK-293 cells are plated on tissue culture flasks in standard DMEM culture media (Mediatech, Inc.) and incubated in a 5% CO2 incubator at 37° C. Cultured cells are used approximately 12-48 hours after plating.Manual Electrophysiology: On the day of experimentation, the 35 mm dish is placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system is used to apply test solutions directly to the cell under evaluation. This shooter system consists of an array of glass pipettes connected to a motorized horizontal translator. The outlet of the shooter is positioned approximately 100 &#956;m from the cell of interest.
1716	1	Inhibition Assay	Assays are performed in 96-well format in a final volume of 60 &#956;L/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additionally, 2 &#956;M of corticosterone and 50 units of CYP11B2 activity. Reactions are started by the addition of NADPH to 1 mM and allowed to proceed for 90 minutes at 37° C. Reactions are terminated by the addition of 60 &#956;L of MeCN containing an internal standard for mass spectrometry. One hundred microliters are then transferred to a glass filter plate and centrifuged at 570×g for 5 minutes and the filtrate is collected. Reaction product aldosterone is quantified by mass spectrometry. To determine the assay blank value (0% activity), NADPH is omitted from some reactions.
1718	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer.
1719	1	Kinase Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &#956;g/ml. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL.
1721	1	IMAP-FP assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides (2.25 &#956;M-unlabeled peptide and 200 nM-labeled peptide, and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 60 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
1721	2	IMAP-FP assay	Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0133 ng/mL (0.316 nM) of phosphorylated active mERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides (2.25 &#956;M-unlabeled peptide and 200 nM-labeled peptide, and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.19 nM mERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 uM ATP. Phosphorylation reactions were allowed to proceed for 45 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
1725	1	Calcium Influx Assay Based on Fluorescence	Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 receptor-overexpressed HEK293 cell line is used. The day before the experiment, cells were prepared in a cell culture medium (DMEM, 5% FBS) with the density of 80,000/well, and 100 &#956;l of cells were dispensed into each well of a poly-D-lysine-coated 96-well plate. Cells were incubated in a 5% CO2, 37° C. incubator. The next day, the cell culture medium was removed from the plate, and 100 &#956;l of 1× Fluo-4 calcium indicator diluted with a buffer (1× Hank&#39;s balanced salt solution, 20 mM HEPES, 2.5 mM probenecid) were added to each well and incubated at 37° C. for 1 hour. The compound stock solutions were prepared in 100% DMSO, and the compounds were serially diluted with a dilution to 6 or 7 concentrations (final concentration was 10 &#956;M to 10 nM). The diluted compound solutions were added to the plate with 0.1 to 0.2% of final DMSO concentration. 1 hour after the addition of Fluo-4 calcium indicator, L-glutamate (EC20 concentration) and the test compound solutions were added to the plate, and Ca2+ reaction was then measured by FLIPR at room temperature. The activity of the compounds was standardized on the basis of the results of maximum value-minimum value of fluorescent reaction, and the activity value was calculated on the basis that no activity on glutamate EC20 is 0% and the reaction to glutamate maximum value is 100%.
1726	1	Enzymatic Assay	The inhibitor potency of compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; added fresh 30 mM EDTA and Perkin Elmer Lance Reagents for HTRF at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader.FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively.
1727	1	Binding Assay	D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000×g for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). Membrane bound [3H]-SCH23390 levels were determined by liquid scintillation counting of the filterplates in Ecolume. 
1728	1	Enzyme Activity Inhibition Assay	1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. Compound was formulated in 100% DMSO in a concentration gradient, and added to a 384-well plate to a final DMSO concentration of 1%.3. PI3K&#945;, PI3K&#948;, PI3K&#946; and PI3K&#947; enzymes were diluted to an optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT, and transferred to a 384-well plate and incubated with the compound for a certain time.4. Substrate was diluted to an optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT, 50 &#956;M PIP2, 25 &#956;M ATP; then added to a 384-well plate to initiate the reaction, and for PI3K&#945;, PI3K&#946; and PI3K&#947; at room temperature reacted for 1 hr, for PI3K&#948; at room temperature reacted for 2 hrs. For PI3K&#946; and PI3K&#947;, it was still necessary to further add 10 &#956;L ADP-Glo Detection Reagent, and then equilibrated at room temperature for 30 minutes.
1729	1	HTRF FRET Assay	Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide (SEQ ID 1).A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide (SEQ ID 1)). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
1730	1	Binding Assay	The FLAP binding assay is performed in HTRF format (homogeneous time resolved fluorescence). FLAP-containing membranes (1 &#956;g/well final for human) are incubated in the presence of the HTRF ligand. [5-[({[2-(2-{3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoyl}hydrazino)-2-oxoethyl]sulfanyl}acetyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] (25 nM final), a terbium labeled anti-His tag antibody (0.5 ng/well final, from Cisbio) and compounds. The reaction is allowed to proceed for two hours after which the plate is read on an Envision plate reader in HTRF mode. Data are expressed as a HTRF ratio.  For human FLAP binding assays, data are analyzed with 3DX Explorer software. A ratio is calculated with the relative light units at 520 nm over the relative light units at 495 nm. For analysis, data from multiple runs are averaged and each compound may be tested in 2 to 20 runs. Each run comprises two plates and each plate includes duplicates. Data from each plate is averaged and data are imported into 3DX. The data from multiple runs are aggregated as the average of duplicates of the calculated ratios in order to calculate Ki and IC50 values.
1719	2	Kinase High ATP Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents.
1729	2	Time-Resolved Endpoint Proteolysis Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (SEQ ID 1) (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1× BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (SEQ ID 1) (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values.
1734	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
1734	2	Binding Assay	The ability of a compound to bind to TrkA was measured by Invitrogen&#39;s LanthaScreen Eu Kinase Binding Assay. In this assay, His-tagged recombinant human TrkA (cytoplasmic domain) from Invitrogen is incubated with Invitrogen&#39;s Alexa-Fluor Tracer 236, biotinylated anti-His, and europium-labeled Streptavidin, compound (2% DMSO final) in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). After a 60-minute incubation at 22° C., the reaction was measured using the EnVision via TR-FRET dual wavelength detection, and the POC was calculated from the emission ratio. The compound dose response data was fit to a 4-parameter logistic model and IC50 was defined as the concentration of compound at 50 POC.
1735	1	Enzyme Assay	The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2, which can be quantitatively measured using the Amplex (trade mark) Red (Invitrogen) detection. Amplex Red reagent is a colorless substrate that reacts with hydrogen peroxide (H2O2) with a 1:1 stoichiometry to produce highly fluorescent resorufin (excitation/emission maxima=570/585 nm). The changes in fluorescence were monitored by a fluorescence plate reader, Envision (Perkin Elmer) and increases in DAAO activity were readily detected upon addition of D-Serine and suppression of this response observed with the application of test compounds.Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 &#956;l portion of assay buffer was added to the wells of a 384 clear base black-walled plate (Corning), 5 &#956;l of diluted compound was then added via automated plate-to-plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 &#956;l of human DAAO enzyme, and then 5 &#956;l D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 &#956;l Amplex red reagent (Invitrogen) was added to all wells as per manufacturer&#39;s protocol. The plate was incubated for 60 minutes in the dark at 25° C. and the fluorescence in each well was measured in the Envision plate reader.
1736	1	Inhibition Assay	HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a baculovirus expression system in Sf9 cells. An acetylated fluorogenic peptide, RHKKAc, derived from residues 379-382 of p53 was used as substrate. The reaction buffer was made up of 50 mM Tris-HCl pH 8.0, 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, and a final concentration of 1% DMSO. Compounds were delivered in DMSO and delivered to enzyme mixture with preincubation of 5-10 min followed by substrate addition and incubation for 2 h at 30° C. Trichostatin A and developer were added to quench the reaction and generate fluorescence, respectively. Dose-response curves were generated starting at 30 &#956;M compound with three-fold serial dilutions to generate a 10-dose plot. IC50 values were then generated from the resulting plots, and the values expressed are the average of duplicate trials±standard deviation.
1742	2	c-Src and Syk Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M. 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1742	3	GSK 3&#945; Enzyme Inhibition	Method 1The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels. The percentage inhibition of each reaction is calculated relative to non-inhibited control and the 50% inhibitory concentration (IC50 value) is then calculated from the concentration-response curve.Method 2This method follows the same steps as Method 1 above, but utilises a shorter period of mixing of the test compound (105 minutes instead of 2 hours) with the GSK3-&#945; protein. In addition, the concentrations of test compound employed are either 10 &#956;g/mL, 1 &#956;g/mL, 0.1 &#956;g/mL, or 0.01 &#956;g/mL
1742	1	p38 MAPK&#945; Enzyme Inhibition	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) are then added to the enzymes/compound mixtures and the whole is incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
13170	1	In vitro enzymatic assay	PTPN2 was produced in E. coli as a GST-TEV fusion and the GST was removed by TEV digestion, followed by additional purification to yield full-length PTPN2 (SEQ ID 1). PTPN2 enzyme was diluted in assay buffer (50 mM HEPES pH7.5, 0.2 mM EDTA, 1 mM DTT, 0.02% Brij-35, 0.02% BSA) to a final concentration of 0.5 nM and added to black 384-well non-binding plates (Greiner, 781900). Compounds were subsequently added using a Tecan D300e dispenser. Following a 10 min incubation at room temperature, DiFMUP substrate (ThermoFisher, D22065) was added to a final concentration of 100 μM. Plates were transferred to a SpectraMax plate reader (Molecular Devices) and fluorescence intensity was measured (ex 358, em 455) after a 30 min incubation at room temperature. Each plate included a 100% inhibition control (no enzyme) and a 0% inhibition control (DMSO) from which % inhibition for test compounds was calculated. A four-parameter curve fit was used to determine IC50 values from % inhibition data.
1743	1	Enzymatic Assay 	The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters&#39; tongues. The substrate used for chymase is Abz-HPFHL-Lys(Dnp)-NH2. For the assay, 1 &#956;l of a 50-fold concentrated solution of test substance in DMSO, 24 al of enzyme solution (dilution 1:80 000 human or 1:4000 hamster) and 25 al of substrate solution (final concentration 10 &#956;M) in assay buffer (Tris 50 mM (pH 7.5), sodium chloride 150 mM, BSA 0.10%, Chaps 0.10%, glutathione 1 mM, EDTA 1 mM) are combined in a white 384-hole microtiter plate (Greiner Bio-One, Frickenhausen, Germany). The reaction is incubated at 32 degrees for 60 min and the fluorescence emission at 465 nm after excitation at 340 nm is measured in a fluorescence reader, for example Tecan Ultra (Tecan, M nnedorf, Switzerland).
1744	1	FLIPR Calcium Assay	Ca2+ influx was measured using a FLIPR calcium assay kit (R8033; Molecular Devices, Sunnyvale, Calif.). The Ca2+ indicator dye was dissolved in Hanks&#39; balanced salt solution supplemented with 20 mM HEPES buffer (HBSS/HEPES) according to the manufacturer instructions. Prior to start of the assay, the medium was removed by aspiration, and cells were loaded with 100 &#956;L Ca2+ dye for 2 to 3 hours at room temperature. AITC (allyl isothiocyanate) was used to activate and open the channels. (4×) solutions of the test compounds were prepared in HBSS/HEPES, and 50 &#956;L were added to the cells at a delivery rate of 10 &#956;L/sec. Changes in fluorescene were measured over time in a fluorometric imaging plate reader (FLIPR), Molecular Devices). Two additions were made over the course of an experimental run. For agonist experiments, assay buffer was added at the 10 s time point, followed by addition of agonist at the 3 minute 10 sec time point. For antagonist experiments, the antagonist was added at the 10 sec time point, followed by addition of the agonist 3 minutes later. Final assay volume for both the agonist and antagonist experiments was 200 &#956;L. Total length of an experimental run was 6.5 minutes.
1745	1	VPS34 Enzyme Assays	100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitrogen Assay Buffer Q (diluted 1 in 5 with nanopure water) plus 2 mM DTT and 2 mM MnCl2) containing ATP (20 uM, Promega) and 200 uM PI-PS substrate (Invitrogen PV5122) is added followed immediately by 5 ul VPS34 reaction buffer (as above) containing VPS34 (5 nM, Millennium Protein Sciences Group) and the mixture is incubated with shaking at room temperature for 1 hour. Then 5 ul VPS34 stop-detect mix (as per Invitrogen Adapta Assay kit (PV5009) instructions (contains kinase quench buffer, TR-FRET buffer, Adapta Eu anti-ADP antibody and Alexa Fluor 647 ADP tracer)) is added to quench the reaction. The plates are then incubated for 30 minutes at room temperature with shaking and then read on a BMG PheraStar Plus reader.
1746	1	Pharmacological Assay	The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cytotechnology 1998, 15, 1-13). [Ca2+]i measurements were performed on mGlu 5a transfected EBNA cells after incubation of the cells with Fluo 3-AM (obtainable by FLUKA, 0.5 &#956;M final concentration) for 1 hour at 37° C. followed by 4 washes with assay buffer (DMEM supplemented with Hank&#39;s salt and 20 mM HEPES. [Ca2+]i measurements were done using a fluorometric imaging plate reader (FLIPR, Molecular Devices Corporation, La Jolla, Calif., USA). When compounds were evaluated as antagonists they were tested against 10 &#956;M glutamate as agonist.
1747	1	Binding Assay	Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand were mixed in coregulator buffer D (Invitrogen PV4420) containing 5 mM DTT and added to the plate at twice their final concentrations in a volume of 8 microL. Test ligands at 2× the final concentration were then added to the wells in 8 &#9633;L of coregulator buffer D containing 5 mM DTT and 4% DMSO. Final incubations contained 1× coregulator buffer D, 5 mM DTT, test ligand, 2% DMSO, 50 nM biotinyl-CPSSHSSLTERKHKILHRLLQEGSPS (American Peptide Company; Vista, Calif.), 2 nM Europium anti-GST (Cisbio 61GSTKLB), 12.5 nM streptavidin-D2 (Cisbio 610SADAB), 50 mM KF, and 10 nM of bacterially-expressed human RORc ligand binding domain protein containing an N-terminal 6×His-GST-tag and residues 262-507 of Accession NP_005051. Ten test ligand concentrations were tested in duplicate. After the reaction plates were incubated for 3 h in the dark at room temperature (22-23° C.), the plate was read on an EnVision plate reader (PerkinElmer) following the Europium/D2 HTRF protocol (ex 320, em 615 and 665, 100 Os lag time, 100 flashes, 500 &#956;s window). The time-resolved FRET signal at 665 nm was divided by that at 615 nm to generate the signal ratio of each well.
1748	1	Thallium Flux Assay	Assay Protocol: The ROMK channel functional thallium flux assay was performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells were seeded in Poly-D-Lysine microplates and kept in a 37° C.-10% CO2 incubator overnight. On the day of the experiment, the growth media was replaced with the FluxOR reagent loading buffer and incubated, protected from light, at ambient temperature (23-25° C.) for 90 min. The loading buffer was replaced with assay buffer±test compound followed by 30 min incubation at ambient temperature, where the thallium/potassium stimulant was added to the microplate.
1749	3	LSD1 Inhibition Assay	A test compound dissolved in 2.5% DMSO was added by 4 &#956;L to 3 &#956;L reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing 7.5 ng of LSD1, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) (3.3 &#956;M) was added by 3 &#956;L to start the reaction. After reaction at room temperature for 5 min, 1 mM 2-PCPA solution was added 5 &#956;L to terminate the reaction. A detection solution (BOO mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added by 5 &#956;L, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate(%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
1749	1	MAO-A Inhibition Assay	A test compound dissolved in 4% DMSO was added by 12.5 &#956;L to 25 &#956;L reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing 400 ng of MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 10 min. MAO substrate (Promega KK) (160 &#956;M) was added by 12.5 &#956;L to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate(%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
1749	2	MAO-B Inhibition Assay	The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in 4% DMSO was added by 12.5 &#956;L to 25 &#956;L reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing 400 ng of MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 10 min. MAO substrate (Promega KK) (16 &#956;M) was added by 12.5 &#956;L to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate(%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
1753	1	FRET Based Assay	This assay is a Fluorescence Resonance Energy Transfer Assay (FRET) based assay. The substrate for this assay is an APP derived 13 amino acids peptide that contains the &#145;Swedish&#146; Lys-Met/Asn-Leu mutation of the amyloid precursor protein (APP) beta-secretase cleavage site. This substrate also contains two fluorophores: (7-methoxycoumarin-4-yl) acetic acid (Mca) is a fluorescent donor with excitation wavelength at 320 nm and emission at 405 nm and 2,4-Dinitrophenyl (Dnp) is a proprietary quencher acceptor. The distance between those two groups has been selected so that upon light excitation, the donor fluorescence energy is significantly quenched by the acceptor, through resonance energy transfer. Upon cleavage by BACE1, the fluorophore Mca is separated from the quenching group Dnp, restoring the full fluorescence yield of the donor. The increase in fluorescence is linearly related to the rate of proteolysis.
1753	2	Biochemical FRET Based Assay 	This assay is a Fluorescence Resonance Energy Transfer Assay (FRET) based assay. The substrate for this assay contains the Swedish Lys-Met/Asn-Leu mutation of the amyloid precursor protein (APP) beta-secretase cleavage site. This substrate also contains two fluorophores: (7-methoxycoumarin-4-yl) acetic acid (Mca) is a fluorescent donor with excitation wavelength at 320 nm and emission at 405 nm and 2,4-Dinitrophenyl (Dnp) is a proprietary quencher acceptor. The distance between those two groups has been selected so that upon light excitation, the donor fluorescence energy is significantly quenched by the acceptor, through resonance energy transfer. Upon cleavage by the beta-secretase, the fluorophore Mca is separated from the quenching group Dnp, restoring the full fluorescence yield of the donor. The increase in fluorescence is linearly related to the rate of proteolysis.Briefly in a 384-well format recombinant BACE2 protein in a final concentration of 0.4 &#956;g/ml is incubated for 450 minutes at room temperature with 10 &#956;M substrate in incubation buffer (50 mM Citrate buffer pH 5.0, 0.05% PEG, no DMSO) in the absence or presence of compound. Next the amount of proteolysis is directly measured by fluorescence measurement at T=0 and T=450 (excitation at 320 nm and emission at 405 nm). Results are expressed in RFU (Relative Fluorescence Units), as difference between T450 and TO.
1755	1	Inhibition Assay	Class I PI3-Ks can be either purchased (p110&#945;/p85&#945;, p110&#946;/p85&#945;, p110&#948;/p85&#945; from Upstate, and p110&#947; from Sigma) or expressed as previously described (Knight et al., 2004). IC50 values are measured using either a standard TLC assay for lipid kinase activity (described below) or a high-throughput membrane capture assay. Kinase reactions are performed by preparing a reaction mixture containing kinase, inhibitor (2% DMSO final concentration), buffer (25 mM HEPES, pH 7.4, 10 mM MgCl2), and freshly sonicated phosphatidylinositol (100 &#956;g/ml). Reactions are initiated by the addition of ATP containing 10 &#956;Ci of &#947;-32P-ATP to a final concentration of 10 or 100 &#956;M and allowed to proceed for 5 minutes at room temperature. For TLC analysis, reactions are then terminated by the addition of 105 &#956;L 1N HCl followed by 160 &#956;L CHCl3:MeOH (1:1). The biphasic mixture is vortexed, briefly centrifuged, and the organic phase is transferred to a new tube using a gel loading pipette tip precoated with CHCl3. This extract is spotted on TLC plates and developed for 3-4 hours in a 65:35 solution of n-propanol:1M acetic acid. The TLC plates are then dried, exposed to a phosphorimager screen (Storm, Amersham), and quantitated. For each compound, kinase activity is measured at 10-12 inhibitor concentrations representing two-fold dilutions from the highest concentration tested (typically, 200 &#956;M). For compounds showing significant activity, IC50 determinations are repeated two to four times, and the reported value is the average of these independent measurements.
1758	1	In Vitro HDAC Assay	The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assay buffer, containing 25 mM Tris pH 7.5, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/ml BSA, tested compounds, 500 nM HDAC8 enzyme or 600 nM HDAC1 enzyme, 200 &#956;M Flur de lys p53 peptide substrate for HDAC8 enzyme or 500 &#956;M Flur de lys generic substrate for HDAC1 enzyme and subsequently was incubated at room temperature for 2 h. Flur de lys Developer was added and the reaction was incubated for 10 min. Briefly, deacetylation of the substrate sensitizes it to the developer, which then generates a fluorophore (symbol). The fluorophore is excited with 360 nm light and the emitted light (460 nm) is detected on a fluorometric plate reader (Tecan Ultra Microplate detection system, Tecan Group Ltd.).The analytical software, Prism 3.0 has been used to generate IC50 from a series of data.
1758	2	Histone H3 Acetylation Assay	To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo205 cells were subsequently treated with HDAC inhibitors at different doses (in duplicates, 9 doses treatment, 4-fold dilutions from 100 &#956;M). After treatment for 24 h, cells were lysed and the protein concentration was determined.The ELISA plate (immulon 2HB plate, Biolaboratories Pte Ltd) was coated with 4 &#956;g/ml of mouse monoclonal antibody against H3 at 4° C. overnight. After removed mouse monoclonal antibody against H3, the plate was washed with PBS buffer containing 0.05% Tween-20 and blocked with the superblock solution (Pierce Pte Ltd) at 37° C., 1 h. The superblock solution was removed and the plate was washed with the PBS buffer containing 0.05% Tween. The AcH3 peptide, H3 peptide and the protein lysates from treated Colo205 with the HDAC inhibitors were applied. The capture reaction between the primary antibody and the antigen, which is histone 3 in the samples, was carried out at 37° C. for 1 h. After removing the samples, the plate was washed with PBS buffer containing 0.05% Tween. The secondary antibody, 0.5 &#956;g/ml of rabbit polyclonal antibody against AcH3 (Lys9/14), was applied to detect the acetylation H3 in the samples at 37° C. for 1 h. After removing the secondary antibodies, the plate was washed with PBS buffer containing 0.05% Tween. The detection antibody was applied to detect the secondary antibody that captured AcH3 in the samples at 37° C. for 30 min. The substrate, 1-step Turbo TMB (Pierce Pte Ltd) was applied for 30 min until the color was developed. The reaction was stopped using 1M H2SO4. The absorbance was measured at OD450 nm using Spectromax reader (Molecular Devices Corporation, Sunnyvale, Calif.).
1759	1	Isomerase Assay	The isomerase assay was performed in 10 mM bis-tris-propane (BTP) buffer, pH 7.5, 0.5% BSA (diluted in BTP buffer), 1 mM sodium pyrophosphate, 20 &#956;M all-trans retinol (in ethanol), and 6 &#956;M apo-CRALBP. The test compounds (2 &#956;l) (final 1/15 dilution of serial dilution stocks) were added to the above reaction mixture to which RPE microsomes were added. The same volume of ethanol was added to the control reaction (absence of test compound). Bovine RPE microsomes (9 &#956;l) (see above) were then added, and the mixtures transferred to 37° C. to initiate the reaction (total volume=150 &#956;l). The reactions were stopped after 30 minutes by adding methanol (300 &#956;l). Heptane was added (300 &#956;l) and mixed into the reaction mixture by pipetting. Retinoid was extracted by agitating the reaction mixtures, followed by centrifugation in a microcentrifuge. The upper organic phase was transferred to HPLC vials and then analyzed by HPLC using an Agilent 1100 HPLC system with normal phase column: SILICA (Agilent Technologies, dp 5&#956;, 4.6 mmX, 25 CM; running method had flow rate of 1.5 ml/min; injection volume 100 &#956;l). The solvent components were 20% of 2% isopropanol in ethyl acetate and 80% of 100% hexane. The area under the A318 nm curve represented the 11-cis retinol peak, which was calculated by Agilent Chemstation software and recorded manually. The IC50 values (concentration of compound that gives 50% inhibition of 11-cis retinol formation in vitro) were calculated using GraphPad Prism 4 Software (Irvine, Calif.). Each experiment was performed three times in duplicate. Inhibition of isomerase activity (IC50) was determined for each compound.The concentration dependent effect of the compounds disclosed herein on the retinol isomerization reaction can also be evaluated with a recombinant human enzyme system. In particular, the in vitro isomerase assay was performed essentially as in Golczak et al. 2005, PNAS 102: 8162-8167, ref. 3). A homogenate of HEK293 cell clone expressing recombinant human RPE65 and LRAT were the source of the visual enzymes, and exogenous all-trans-retinol (about 20 &#956;M) was used as the substrate. Recombinant human CRALBP (about 80 ug/mL) was added to enhance the formation of 11 cis-retinal. The 200 &#956;L Bis-Tris Phosphate buffer (10 mM, pH 7.2) based reaction mixture also contains 0.5% BSA, and 1 mM NaPPi. In this assay, the reaction was carried out at 37° C. in duplicates for one hour and was terminated by addition of 300 &#956;L methanol. The amount of reaction product, 11-cis-retinol, was measured by HPLC analysis following Heptane extraction of the reaction mixture. The Peak Area Units (PAUs) corresponding to 11 cis-retinol in the HPLC chromatograms were recorded and concentration dependent curves analyzed by GraphPad Prism for IC50 values.
1760	1	ThermoFluor Assay	ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (Pantoliano, M. W., Petrella, E. C., Kwasnoski, J. D., Lobanov, V. S., Myslik, J., Graf, E., Carver, T., Asel, E., Springer, B. A., Lane, P., and Salemme, F. R. (2001) High-density miniaturized thermal shift assays as a general strategy for drug discovery. J Biomol Screen 6, 429-40, and Matulis, D., Kranz, J. K., Salemme, F. R., and Todd, M. J. (2005) Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor. Biochemistry 44, 5258-66). This approach is applicable to a wide variety of systems, and rigorous in theoretical interpretation through quantitation of equilibrium binding constants (KD).In a ThermoFluor experiment where protein stability is monitored as the temperature is steadily increased, an equilibrium binding ligand causes the midpoint of an unfolding transition (Tm) to occur at a higher temperature. The shift in the melting point described as a &#916;Tm is proportional to the concentration and affinity of the ligand. The compound potency may be compared as a rank order of either &#916;Tm values at a single compound concentration or in terms of KD values, estimated from concentration response curves.
1760	2	RORgammat ThermoFluor Assay	For the ROR&#947;t construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO:1). Nucleotides 850-1635 (SEQ ID NO:2) coding for the wild type human ROR&#947;t ligand binding domain (ROR&#947;t LBD) were cloned into the pHIS1 vector, a modified pET E. coli expression vector (Accelagen, San Diego), containing an in-frame N-terminal His-tag and a TurboTEV protease cleavage site (ENLYFQG, SEQ ID NO:3) upstream of the cloned insert sequence. The amino acid sequence for the ROR&#947;t construct used in the Thermofluor assay is shown as SEQ ID NO:4.ThermoFluor experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation.Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1° C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500±25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature. Reference wells contained ROR&#947;t without compounds, and the assay conditions were as follows:0.065 mg/mL ROR&#947;t60 M 1,8-ANS100 mM Hepes, pH 7.010 mM NaCl2.5 mM GSH0.002% Tween-20Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high concentration of 10 mM over 12 columns within a series (column 12 is a reference well containing DMSO, no compound). The compounds were robotically dispensed directly into assay plates (1x=46 nL) using a Hummingbird capillary liquid handling instrument (Digilab). Following compound dispense, protein and dye in buffer was added to achieve the final assay volume of 3 &#956;L, followed by 1 &#956;L of silicone oil.
1760	3	RORgammat (LBD) Reporter Assay	A reporter assay was used to test functional activity of ROR&#947;t modulatory compounds on transcriptional activation driven by the ROR&#947;t LBD. Cells used in the assay were co-transfected with two constructs. The first construct, pBIND-ROR&#947;t LBD, contained the wild type human ROR&#947;t LBD fused to the DNA binding domain of the GAL4 protein. The second construct, pGL4.31 (Promega Cat no. C935A), contained multiple GAL4 responsive DNA elements upstream of firefly luciferase. To generate a background control, cells were similarly co-transfected with two constructs, but in the first construct the AF2 amino acid motif in the ROR&#947;t LBD was changed from LYKELF (SEQ ID NO:5) to LFKELF (SEQ ID NO:6). The AF2 mutation has been shown to prevent co-activator binding to the ROR&#947;t LBD, thus preventing transcription of firefly luciferase. The mutant construct was called pBIND-ROR&#947;t-AF2.For the ROR&#947;t constructs used in the reporter assay, numbering for the nucleotide sequences was also based on the reference sequence for human ROR&#947;t, transcript variant 2, NCBI Accession: NM_001001523.1 (SEQ ID NO:1). For the wild type human ROR&#947;t LBD construct, pBIND-ROR&#947;t LBD, nucleotides 850-1635 (SEQ ID NO:2) coding for the wild type human ROR&#947;t LBD were cloned into EcoRI and NotI sites in the pBIND vector (Promega cat. No E245A). The pBIND vector contains the GAL4 DNA Binding Domain (GAL4 DBD) and the renilla luciferase gene under control of the SV40 promoter. Renilla luciferase expression serves as a control for transfection efficiency and cell viability. For the background control construct, pBIND-ROR&#947;t-AF2, the AF2 domain of ROR&#947;t LBD was mutated using the Quik Change II Site Directed Mutagenesis System (Stratagene Cat. No. 200519). The nucleotide sequence coding for the ROR&#947;t LBD sequence with the mutated AF2 domain is shown as SEQ ID NO:7. The amino acid sequences for the wild type ROR&#947;t LBD and ROR&#947;t LBD with the mutated AF2 domain are shown as SEQ ID NO:8 and SEQ ID NO:9, respectively.The reporter assay was performed by transiently transfecting HEK293T cells with 5 &#956;g of pBIND-ROR&#947;t LBD or pBIND-ROR&#947;t LBD-AF2 and 5 &#956;g pGL4.31 (Promega Cat no. C935A) using Fugene 6 (Invitrogen Cat no. E2691) at a 1:6 ratio of DNA:Fugene 6 in a T-75 flask in which cells were at least 80% confluent. Twenty four hours after bulk transfection, cells were plated into 96-well plates at 50,000 cells/well in phenol-red free DMEM containing 5% Lipid Reduced FCS and Pen/Strep. Six hours after plating, cells were treated with compounds for 24 hours. Media was removed and cells were lysed with 50 &#956;L 1× Glo Lysis Buffer (Promega). Dual Glo Luciferase Reagent (50 &#956;L/well) was then added and firefly luciferase luminescence was read on an Envision after a ten minute incubation. Finally, Stop and Glo reagent (50 L/well) was added and renilla luciferase luminescence was read on an Envision after a ten minute incubation. To calculate the effect of compounds on ROR&#947;t activity, the ratio of firefly to renilla luciferase was determined and plotted against compound concentration. Agonist compounds increase ROR&#947;t-driven luciferase expression, and antagonist or inverse agonist compounds decrease luciferase expression.
1763	1	Monoamine Oxidase Assays 	Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 50 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition.After leaving the enzyme(s) interacting with the inhibitor, 60 to 90 &#956;M of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L (v/v) of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor.The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes. 
1763	2	LSD1 Assay	The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be tested as follows. Human recombinant LSD1 protein was purchased from BPS Bioscience Inc. In order to monitor LSD1 enzymatic activity and/or its inhibition rate by our inhibitor(s) of interest, di-methylated H3-K4 peptide (Millipore) was chosen as a substrate. The demethylase activity was estimated, under aerobic conditions, by measuring the release of H2O2 produced during the catalytic process, using the Amplex Red peroxide/peroxidase-coupled assay kit (Invitrogen).Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in triplicate. After leaving the enzyme interacting with the inhibitor, 12.5 &#956;M of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 1 hour at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 30 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor.The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The Ki (IC50) of each inhibitor was estimated at half of the maximum activity.
1767	1	In Vitro Assays for IDH1m	Assays were conducted in a volume of 76 &#956;l assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a standard 384-well plate: To 25 ul of substrate mix (8 uM NADPH, 2 mM aKG), 1 &#956;l of test compound was added in DMSO. The plate was centrifuged briefly, and then 25 &#956;l of enzyme mix was added (0.2 &#956;g/ml IDH1 R132H) followed by a brief centrifugation and shake at 100 RPM. The reaction was incubated for 50 minutes at room temperature, then 25 &#956;l of detection mix (30 &#956;M resazurin, 36 &#956;g/ml) was added and the mixture further incubated for 5 minutes at room temperature. The conversion of resazurin to resorufin was detected by fluorescent spectroscopy at Ex544 Em590 c/o 590.
1767	2	IDH2 Enzymatic Assay	Compounds were assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds were preincubated with enzyme, then the reaction was started by the addition of NADPH and &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear with respect for time for consumption of both cofactor and substrate. The reaction was terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of compound dilution series was placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate, pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 1.25 &#956;g/ml IDH2 R140Q. The compound was then incubated for one hour at room temperature with the enzyme; before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 50 &#956;M NADPH and 6.3 mM &#945;-KG in the buffer described above. After a further one hour of incubation at room temperature, the reaction was halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate was read on a plate reader at Ex544/Em590.
1768	1	Broken Cell Assay	Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations
1768	2	WT-MDCK Assay	Inhibition of GlcCer production in whole wild-type MDCKII cells.
1768	3	MDR1-MDCKII Assay	)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).
1769	1	FLIPR Assay	Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
1769	2	Electrophysiology Assay	Electrophysiology: On the day of experimentation, the 35 mm dish was placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system was used to apply test solutions directly to the cell under evaluation. This system consists of an array of glass pipette glass connected to a motorized horizontal translator. The outlet of the shooter was positioned approximately 100 &#956;m from the cell of interest.Whole cell currents were recorded using the whole-cell patch clamp configuration using an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.), 1322A A/D converter (Axon Instruments) and pClamp software (v. 8; Axon Instruments) and stored on a personal computer. Gigaseals were formed and the whole-cell configuration was established in voltage clamp mode, and membrane currents generated by hNav1.7 were recorded in gap-free mode. Borosilicate glass pipettes have resistance values between 1.5 and 2.0 M&#937; when filled with pipette solution and series resistance (<5 M&#937;) was compensated 75-80%. Signals were sampled at 50 kHz and low pass filtered at 3 kHz.The voltage clamp protocol to examine hNav1.7 currents was as follows. First, the standard current-voltage relationship was tested by pulsing the cell from the holding voltage (Vh) of &#8722;120 mV by a series of 5 msec long square-shaped test pulses incrementing in +10 mV steps over the membrane voltage range of &#8722;90 mV to +60 mV at the pace of stimulation of 0.5 Hz. This procedure determines the voltage that elicits the maximal current (Vmax). Second, Vh was re-set to &#8722;120 mV and a steady-state inactivation (SSIN) curve was taken by the standard double-pulse protocol: 100 ms depolarizing pre-pulse was incremented in steps of +10 mV (voltage range from &#8722;90 mV to 0 mV) immediately followed by the 5 ms long test pulse to &#8722;10 mV at the pace of stimulation of 0.2 Hz. This procedure determines the voltage of full inactivation (Vfull). Third, the cell was repeatedly stimulated with the following protocol, first in the absence of the test compound then in its presence. The protocol consisted of depolarizing the cell from the holding potential of &#8722;120 mV to the Vfull value for 4.5 seconds then repolarizing the cell to the holding potential for 10 ms before applying the test pulse to the Vmax for 5 ms. The amount of inhibition produced by the test compound was determined by comparing the current amplitude elicited by the test pulse in the absence and presence of the compound.Solutions and Chemicals: For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and the osmolarity adjusted to 320) or Tyrodes salt solution (Sigma, USA) supplemented with 10 mM HEPES (pH adjusted to 7.4 with NaOH; osmolarity=320). The internal pipette solution contained (in mM): NaCl (10), CsF (140), CaCl2 (1), MgCl2 (5), EGTA (11), HEPES (10: pH 7.4, 305 mOsm). Compounds were prepared first as series of stock solutions in DMSO and then dissolved in external solution; DMSO content in final dilutions did not exceed 0.3%. At this concentration, DMSO did not affect sodium currents. Vehicle solution used to establish base line was also contacting 0.3% DMSO.Data Analysis: Data was analyzed off-line using Clampfit software (pClamp, v. 8; Axon Instruments) and graphed using GraphPad Prizm (v. 4.0) software.
1771	1	FGFR1 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1771	2	FGFR2 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR2 (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 0.4 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1771	3	FGFR3 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 25 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1771	4	FGFR4 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1771	5	KDR (VEGFR2) (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, KDR (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 3 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 120 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
1772	1	Enzyme Inhibition Assay	The enzyme inhibition assays were performed using the luminometric methodology of Kinase-Glo . The recombinant human GSK3 enzyme (catalogue no. 14-306) was acquired from Upstate (Dundee, UK). The prephosphorylated polypeptide was synthesised by American Peptide Inc. (Sunnyvale, Calif.). The luminescent kinase kit (catalogue no. V6711) was obtained from Promega. The ATP and the other reagents were purchased from Sigma-Aldrich (St. Louis, Mo.).The assays were performed in buffer using 96-well plates. 10 .mu.l of the compound to be assayed (dissolved in DMSO at a concentration of 1 mM, and, in turn, dissolved in buffer to the concentration necessary for the experiment) and 10 .mu.l (20 ng) of the enzyme are added to each well, followed by 20 .mu.l of buffer containing 25 .mu.M of the substrate and 1 .mu.M of ATP. The final concentration of DMSO in the experiment did not exceed 1%. Following a half-hour incubation at 30.degree. C., the enzymatic reaction is stopped with 40 .mu.l of the Kinase-Glo reagent. The luminescence is measured after ten minutes, using a POLARstar Optima multimode reader. The activity is proportional to the difference between the total ATP and the ATP consumed. The inhibitory activities were calculated as a function of the maximum activity, measured in the absence of inhibitor.
1773	1	Binding Assay	The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are overexpressed (Perkin Elmer). The membrane suspensions (16 &#956;g/well for beta1 and 5 &#956;g/well for beta2) in assay buffer (75 mM Tris/HCl with 12.5 mM MgCl2 and 2 mM EDTA pH=7.4) were incubated with 0.14 or 0.6 nM of 3H-CGP12177 (Amersham) for beta 1 and beta 2 receptors respectively in a final volume of 250 &#956;l, in GFC Multiscreen 96 well plates (Millipore) previously treated with assay buffer containing 0.3% PEI (Sigma). Non specific binding was measured in the presence of 1 &#956;M propanolol. Incubation was maintained for 60 minutes at room temperature and with gentle shaking. The binding reactions were terminated by filtration and washing with 2.5 volumes of Tris/HCl 50 mM pH=7.4. The affinity of each test compound to the receptor was determined by using ten different concentrations ran in duplicate. IC50s were calculated using Activity Base software from IDBS and the four parameters-log equation.
1773	2	Receptors Binding Assay	The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1 cells. Radioligand binding experiments were conducted in 96 polypropylene well plates in a total volume of 200 &#956;l. All reagents were dissolved in assay binding buffer (PBS with calcium and magnesium, SIGMA), except compounds that were dissolved in DMSO 100%. Non-specific binding (NSB) was measured in the presence of 1 &#956;M atropine. [3H]-NMS was used as the radioligand at a concentration of 1 nM for M2, M3 and M5 and 0.3 nM for M1 and M4. [3H]-NMS and antagonists were incubated with membranes that express human muscarinic receptors M1, M2, M3, M4 and M5 at concentrations of 8.1, 10, 4.9, 4.5 and 4.9 &#956;g/well, respectively.After an incubation period of two hours with gentle shaking, 150 &#956;l of the reaction mix were transferred to 96 GF/C filter plates (Millipore), previously treated with wash buffer (Tris 50 mM; NaCl 100 mM; pH: 7.4), containing 0.05% PEI (Sigma) during one hour. Bound and free [3H]-NMS were separated by rapid vacuum filtration in a manifold from Millipore and washed four times with ice cold wash buffer. After drying 30 min, 30 &#956;l of OPTIPHASE Supermix were added to each well and radioactivity quantified using a Microbeta microplate scintillation counter.
1780	1	Inhibition Assay	0.35 &#956;g/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145 mmol/L NaCl, 5 mmol/L KCl, and 1 mg/mL PEG8000 (manufactured by QIAGEN) at 37° C. for 10 minutes. To the substrate, S-2366 (pyroGlu-Pro-Arg-pNA.HCl) was added to a final concentration of 300 &#956;mol/L. After the reaction had progressed, the absorbance at OD 405 nm was measured. A change in OD without addition of the test compound was set at 100%, and a concentration at which an increase in the OD value is suppressed by 50% was calculated as an IC50 value (nmol/L).
1781	1	Electrophysiology Assay	1) Pre-spotted compounds (in neat DMSO) into compound plates. Vehicle control (neat DMSO), the positive control (20 mM DMSO stock tetracaine, 125 &#956;M final in assay) and test compounds were added to each well at 160× desired final concentration in neat DMSO. Final compound plate volume was 80 &#956;L (80-fold intermediate dilution from 1 &#956;L DMSO spot; 160-fold final dilution after transfer to cell plate). Final DMSO concentration for all wells in assay was 0.625%.2) Prepared Hexyl Dye Solution.3) Prepared cell plates. On the day of the assay, medium was aspirated and cells were washed three times with 100 &#956;L of Bath1 Solution, maintaining 25 &#956;L residual volume in each well.4) Dispensed 25 &#956;L per well of Hexyl Dye Solution into cell plates. Incubated for 20-35 minutes at room temp or ambient conditions.5) Dispensed 80 &#956;L per well of Bath1 into compound plates. Acid Yellow-17 (1 mM) was added and Potassium Chloride was altered from 4.5 to 20 mM depending on the NaV subtype and assay sensitivity.6) Washed cell plates three times with 100 &#956;L per well of Bath1, leaving 25 &#956;L of residual volume. Then transfered 25 uL per well from Compound Plates to Cell Plates. Incubated for 20-35 minutes at room temp/ambient condition.7) Read Plate on E-VIPR. Used the current-controlled amplifier to deliver stimulation wave pulses for 10 seconds and a scan rate of 200 Hz. A pre-stimulus recording was performed for 0.5 seconds to obtain the un-stimulated intensities baseline. The stimulatory waveform was followed by 0.5 seconds of post-stimulation recording to examine the relaxation to the resting state.
1782	1	Homogenous Time-Resolved Fluorescence Assay	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1×PBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag -TrxA-6×His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3.As the potencies of the HDM2 inhibitors increased, an improved HTRF assay (HTRF2 assay) was developed. All assay conditions remained the same as described above, with the exception of the following changes in reagent concentrations: 0.2 nM GST-hMDM2 (1-188), 0.5 nM biotinylated-p53 (1-83), 0.18 nM SA-XLent, and 100 mM KF.
1783	1	Enzymatic Activity Assay	The compounds of formula I inhibit the enzymatic activity of human TDO2.To measure the TDO2 activity, the procedure described in Dolusic et al. J. Med. Chem.; 2011, 54, 5320-533 was adapted: the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 7.5), ascorbic acid (0.25 M), methylene blue (0.125 &#956;M), catalase (40 units/mL, from bovine liver, Sigma), and human recombinant TDO2 enzyme (prepared as described in Dolusic et al. J. Med. Chem.; 2011, 54, 5320-5334; 0.9 &#956;g) without or with the compounds of the present invention at the indicated concentrations (total volume 112.5 &#956;L). The reaction was initiated by the addition of 37.5 &#956;L of L-Trp (final concentration 1 mM) at room temperature. The reaction was conducted at room temperature during one hour and stopped by the addition of 30 &#956;L of 30% (w/v) trichloroacetic acid.To convert N-formylkynurenine into kynurenine, the reaction mixture was incubated at 65° C. for 30 min. Then 150 &#956;L of the reaction mixture was mixed with 120 &#956;L of 2.5% (w/v) 4-(dimethylamino)-benzaldehyde in acetic acid and incubated for 5 min at room temperature. Kynurenine concentrations were determined by measuring the absorbance at 480 nm. A standard curve was made with pure kynurenine. The TDO activity was measured as described above using ten serial concentrations of the compounds of the present invention. Data were fitted using the Prism software (GraphPad Software, Inc.) using standard software configurations.
1784	1	Inhibition Activity Assay	In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for this experiment. Specifically, an enzymatic reaction was conducted by mixing 0.4 nM of BTK enzyme, 40 &#956;M of biotin-S1 substrate peptide and 50 &#956;M of ATP in a reaction buffer (15 mM Tris-HCl (pH 7.5), 20 mM MgCl2, 2 mM MnCl2, 2 mM DTT, 0.1 mg/ml BSA). The mixture was treated with the test compounds at predetermined concentrations and allowed to react for 20 minutes at 30° C. Upon completion of the reaction, the activities of the test compounds were measured by ELISA method. The absorbance value of an untreated sample was used as a control (100% control). BTK enzyme activities were measured after treatment with various concentrations of the test compounds, and the concentration of test compounds resulting in 50% inhibition of BTK enzyme as compared to the control was determined as IC50 of BTK inhibitor.
1785	1	In Vitro Enzyme Inhibition Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;L of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;L of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;L of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1786	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
1787	1	Btk Enzyme Activity	Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Btk enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Btk enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in Btk IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
1787	2	Lck Enzyme Activity 	Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Lck enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Lck enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 24 &#956;M ATP in KR-buffer (final ATP concentration is 6 &#956;M ATP, Km ATP in Lck IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
1787	3	Src Enzyme Activity 	Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.8 U/mL Src enzyme (final concentration in the assay is 0.2 U/mL). Test compounds and Src enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 16 &#956;M ATP in KR-buffer (final ATP concentration is 4 &#956;M ATP, Km ATP in Src IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% lx buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
1787	4	FynT Enzyme Activity 	FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme (Biomol catalog # SE-287), is diluted to 0.5 &#956;g/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.5 &#956;g/mL FynT enzyme (final concentration in the assay is 125 ng/mL). Test compounds and FynT enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 0.8 &#956;M ATP in KR-buffer (final ATP concentration is 0.2 &#956;M ATP, Km ATP in FynT IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
1787	5	Lyn Enzyme Activity 	Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 250 mU/mL Lyn enzyme (final concentration in the assay is 62.5 mU/mL). Test compounds and Lyn enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 8 &#956;M ATP in KR-buffer (final ATP concentration is 2 &#956;M ATP, Km ATP in Lyn IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
1788	1	Inhibition Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 10 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
1790	1	Biochemical Assay	The biochemical assays of kinase activity of full-length PI3K&#945; (full-length p110&#945;/p85&#945;) or truncated PI3K&#945; (p110&#945;/iSH2 p85&#945;) were conducted using a fluorescence polarization format similar to the procedure of Yuan J., et al., (2011) PF-04691502, a Potent and Selective Oral Inhibitor of PI3K and mTOR Kinases with Antitumor Activity, Mol Cancer Ther. 10, 2189-2199. The enzymatic reactions were conducted in 50 &#956;L volumes in 96-well plates. The reactions contained human recombinant PI3K&#945; (2 nM full-length p110&#945;/p85&#945; or 0.5 nM p110&#945;/iSH2 p85) and 30 &#956;M phosphatidylinositol 4,5-bisphosphate (PIP2) (Avanti Polar Lipids, Inc., Alabaster, Ala.) and were sonicated for 1 minute prior to adding PI3K&#945; enzyme (PI3KA_Act or PI3KA_FL), DMSO or test compound (12-point 3-fold serial dilution, 3 &#956;M top dose, 2% DMSO final concentration), 5 mM MgCl2, 50 mM HEPES pH 7.4, 150 mM NaCl, 1 mM DTT, and 0.05% 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHAPS). The reactions were initiated by the addition of ATP (41 &#956;M, Km-level, for full-length p110&#945;/p85 or 1 mM ATP for p110&#945;/iSH2 p85), following a 15-min preincubation. The reactions were incubated for 30 min at room temperature, stopped with EDTA pH 8 (10 mM final concentration). In a detection plate, 15 &#956;L of detector/probe mixture, containing 480 nM GST-Grp1PH domain protein (University of Dundee, Dundee, UK) and 12 nM carboxytetramethylrhodamine (TAMRA)-tagged fluorescent phosphatidylinositol (3,4,5)-triphosphate (PIP3) (Echelon Biosciences, Inc., Salt Lake City, Utah) in assay buffer, was mixed with 15 &#956;L of kinase reaction mixture. The plate was shaken for 30 minutes and fluorescence polarization values were measured on an LJL Analyst HT plate reader (Molecular Devices, Sunnyvale, Calif.). 
13171	1	Enzymatic activity assay	HDAC proteins of different subtypes (purchased from BPS), test compounds, and substrate solutions at concentrations of 2.5-40 M (purchased from BPS) were each added to a 384-well plate, and the plate was incubated at 37° C. for 30 min. 1 M Trypsin and 10 M TSA were added, and the plate was incubated at room temperature for 15 min. The fluorescence intensity at an excitation wavelength of 360 nm and an emission wavelength of 455 nm was measured, and then the inhibition rate at each concentration was calculated. IC50 was obtained by fitting using GraphPadPrism 7.0 software.
13172	1	hGLP-1R cAMP Assay	1. Cell line and reagent preparation1) Cell line: Flp-In-293-GLP1R2) Medium: DMEM+10% FBS+1×Penicillin-Streptomycin+200 μg/mL HB3) Test buffer: 1×HBSS+20 mM HEPES+0.1% BSA+500 μM IBMX2. Agonist testa) Flpin-293-GLP1R cells were incubated in a 384-well assay plate (6007680-50, PE) using complete medium with 2,000 cells per well.b) Prepared a 4× complex working solution with assay buffer.c) Added 5 μL of 4× Compound Working Solution to the cell plate and incubated at 37° C. for 30 minutes.d) Diluted Eu-cAMP tracer (1/50) with lysis buffer and added 10 μl/well to the assay plate.e) Diluted Ulight-anti-cAMP (1/150) with lysis buffer and added 10 μl/well to the assay plate.f) Incubated at constant temperature for 1 hour.g) Read the plate on Envision 2105 plate reader at 665 nM and 615 nM.
13173	1	In Vitro Kinase Assays	Biological activities of the MMT3-72 and its active metabolite MMT3-72-M2 were evaluated against JAK1, JAK2, JAK3 and TYK2 using kinase assays (FIG. 3 , Table 1). The compound MMT3-72 showed modest inhibitory activities against JAK1 and JAK2 (199.3 nM and 448.3 nM, respectively) and poor inhibitory activities against JAK3 and TYK2 (6821 nM and 2976 nM, respectively). However, the active metabolite MMT3-72-M2 showed strong inhibitory activities against JAK1 (2.0 nM), JAK2 (16.3 nM), and TYK2 (55.2 nM), but only weak inhibitory activities against JAK3 (701.3 nM). In comparison, fedratinib strongly inhibited JAK1 (10.1 nM) and JAK2 (15.6 nM), but poorly inhibited JAK3 and TYK2. The inhibitory profiles of JAK1, 2, and TYK2 of MMT3-72-M2 may have advantages to treat UC since JAK2/TYK2/IL-12/IL-23 signaling is strongly implicated in UC, while JAK1 isoform has long been identified as potential target in treating IBD as seen in Upadacitinib. In addition, MMT3-72-M2 showed poor inhibitory activities against JAK3 that may also be preferred in treating UC to reduce the unwanted adverse effects. Tofacitinib inhibited JAK3 with an IC50 of 1.6 nM and showed serious adverse effects. JAK3 inhibition has been shown to potentially lead to lymphopenia and thus hypothetically to an increased risk of infection.
13174	1	Determination of agonistic activity of compounds on HEK-Blue hTLR7 cells	1. HEK-Blue hTLR7 cells (Invivogen) were cultured in DMEM medium (Hyclone) containing 10% FBS heat-inactivated fetal bovine serum (Corning). On the day of detection, the cell state was observed under a microscope, the cells were collected and resuspended, and the cell concentration was adjusted after counting, 50 μL per well, the total amount of cells was 2×104, and the cells were inoculated in a 96-well plate.2. After the cells adhered to the wall overnight, 50 μL of the test compound at different concentrations was added into the well plate, so that the final concentrations were 100 μM, 33.3 μM, 11.11 μM, 3.70 μM, 1.23 μM, 0.41 μM, 0.14 μM, 0.05 μM, 0 μM, and the final concentration of DMSO was 1%. The compound was incubated with the cells in a 37° C., 5% CO2 incubator for 20 h.3. After the incubation, observation under microscope was performed to determine the maximum signal well, the states of the cells with the highest and lowest concentrations of the compound, and whether the compound will crystalize at high concentration. 10 μL of cell culture supermatant was taken and transferred to a new 96-well transparent plate, 90 μL of QUANTI-Blue (Invivogen) detection reagent was added to each well, and incubated at 37° C. for 3 h, and OD620 was read with a multifunctional microplate reader (BMG LABTECH).4. EC50 was calculated by fitting with Graphpad Prism software log(agonist) vs. response—Variable slope.
13174	2	Determination of Agonistic Activity of Compounds on HEK-Blue hTLR8 Cells	1. HEK-Blue hTLR8 cells (Invivogen) were cultured in DMEM medium (Hyclone) containing 10% FBS heat-inactivated fetal bovine serum (Corning). On the day of detection, the cell state was observed under a microscope, the cells were collected and resuspended, and the cell concentration was adjusted after counting, 50 μL per well, the total amount of cells was 2×104, and the cells were inoculated in a 96-well plate.2. After the cells adhered to the wall overnight, 50 μL of the test compound at different concentrations was added to the well plate, so that the final concentrations were 100 μM, 25 μM, 6.25 μM, 1.56 μM, 0.39 μM, 0.10 μM, 0.02 μM, 0.006 μM, 0 μM, or 100 μM, 33.3 μM, 11.11 μM, 3.70 μM, 1.23 μM, 0.41 μM, 0.14 μM, 0.05 μM, 0 μM, and the final concentration of DMSO was 1%. The compound was incubated with the cells in a 37° C., 5% CO2 incubator for 20 hours.3. After the incubation, observation was performed under microscope to determine the maximum signal well, the state of the cells with the highest and lowest concentrations of the compound, and whether the compound will crystalize at high concentration. 10 μL of cell culture supernatant was transferred to a new 96-well transparent plate, added with 90 μL of QUANTI-Blue (Invivogen) detection reagent to each well, incubated at 37° C. for 3 hours, and OD620 was read with a multifunctional microplate reader (BMG LABTECH).4. EC50 was calculated by fitting with Graphpad Prism software log(agonist) vs. Response—Variable slope.
13175	1	Test on EZH2 Inhibitory Activity	Table 1: Test ConditionsEZH2 enzyme complex: 25 ng/uLHistone H3 peptide substrate: 4 uMSAM: 2 uMReaction time: 300 minProcedures1. Each compound disclosed herein was diluted with 1×HMT buffer and transferred to a 384-well assay plate at 3 uL per well;2. The EZH2 enzyme solution was prepared with 1×HMT buffer and transferred to the 384-well assay plate at 2 uL per well;3. The above assay plate was incubated for 30 min;4. A mixture solution of SAM and histone H3 peptide substrate at 2-fold concentration was prepared with 4×HMT buffer;5. 5 uL of the mixture solution of SAM and substrate was added to each well of the assay plate to react at room temperature, and the assay plate was sealed with plastic;6. After incubation for 5 h, 10 uL of TR-FRET detection buffer containing Tb-labeled antibody and dye-labeled receptor was added to each well of the assay plate;7. After incubation for 1 h at room temperature, the assay plate was detected;8. Data were processed using Prizm software.
13175	2	Test on EZH2 (Y641F) and EZH2 (Y641N) Inhibitory Activities	ProceduresCompounds at different concentrations were dissolved in 100% DMSO and transferred to test plates, and the final concentration of DMSO was 1%. Enzyme solution and substrate SAM solution were prepared with 1-fold reaction buffer (optimized Tris buffer). 5 uL of enzyme solution was added to the test plate and wells only added with 5 uL of reaction buffer were used as negative control wells. After incubation at room temperature for 15 min, the plate was added with 5 uL of substrate solution per well to initiate the reaction, and then incubated at room temperature for 60 min. 5 uL of receptor solution was added and the plate was incubated away from light at room temperature for 60 min. 10 uL of donor solution was added and the plate was incubated away from light at room temperature for 30 min. The endpoint values were read on the Envision and the IC50 was calculated.Data CalculationData were fitted by GraphPad Prism 5 software and inhibition rate was calculated according to equation (1)Inh %=(Max−Signal)/(Max−Min)×100  (1)IC50 was calculated using equation (2)Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC 50 −X)×Hill Slope))Y: inhibition rate; X: concentration of the compound
13175	3	Test on EZH2 (wt) Inhibitory Activity	Table 4: ProceduresCompounds at different concentrations were dissolved in 100% DMSO and transferred to test plates, and the final concentration of DMSO was 1%. Enzyme solution and substrate SAM solution were prepared with 1-fold reaction buffer (optimized Tris buffer). 5 uL of enzyme solution was added to the test plate and wells only added with 5 uL of reaction buffer were used as negative control wells. After incubation at room temperature for 15 min, the plate was added with 5 uL of substrate solution per well to initiate the reaction, and then incubated at room temperature for 60 min. 5 uL of receptor solution was added and the plate was incubated away from light at room temperature for 60 min. 10 uL of donor solution was added and the plate was incubated away from light at room temperature for 30 min. The endpoint values were read on the Envision and the IC50 was calculated.Data CalculationData were fitted by GraphPad Prism 5 software and inhibition rate was calculated according to equation (1)Inh %=(Max−Signal)/(Max−Min)×100  (1)IC50 was calculated using equation (2)Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC 50 −X)×Hill Slope))Y: inhibition rate; X: concentration of the compound
13176	1	FLIPR Assay of Inhibitory Activity on Human TRPA1	Table 3.1: The cell analysis plate was placed in an FLIPR instrument (Molecular Probes), and the compound in the compound plate was added to the corresponding hole on the cell analysis plate (First addition) via an automatic program, and the calcium ion fluorescence signal was recorded to determine whether the compound had agonistic activity. After 10 minutes, CaCl2 (Second addition) was added a final concentration of 3 mM to each well to stimulate intracellular calcium flux signals. Ca++-dependent fluorescence signal was monitored continuously at 538 nm wavelength to analyze the inhibitory activity of the compounds.
13176	2	Inhibitory Activity on Human TRPA1 by Conventional Patch Clamp Assay	Table 3.2: The cells were transferred to the perfusion tank and perfused with extracellular fluid. The intracellular fluid was: 130 mM K-aspartate; 5 mM MgCl2; 5 mM EGTA; 10 mMHEPES; pH 7.2 (KOH titration). The intracellular fluid was stored in a small amount in a −80 degree refrigerator in batches, and thawed on the day of the experiment. The electrode was pulled with PC-10 (Narishige, Japan). Whole-cell patch clamp recording was adopted and noise was filtered at one-fifth of the sampling frequency.
13177	1	VEGFR1 Activity Inhibition Assay	The in vitro activity of VEGFR1 was determined by detecting the phosphorylation level of the substrate in the kinase reaction using a homogeneous time-resolved fluorescence (HTRF) kinase detection kit (Cisbio, catalog number 62TKOPEC). The reaction buffer contains an enzyme reaction buffer (1×) provided in the kit, 5 mM MgCl2, 1 mM MnCl2, 1 mM DTT. The humanized recombinant VEGFR1 protein (Cat. No. PV3666) was purchased from ThermoFish, and diluted to a 0.3 ng/μL kinase solution with the reaction buffer. The substrate reaction solution includes 1 μM biotin-labeled tyrosine kinase substrate and 0.8 μM ATP which were diluted with the reaction buffer. The assay buffer includes 0.1 ng/μL Eu3+ labeled cage antibody and 0.125 μM streptavidin labeled XL665 which were diluted with the reaction buffer.The compound was dissolved and diluted to 10 μM in 100% DMSO, then a 4-fold serial dilution was performed with DMSO to the lowest concentration of 0.61 nM, and each concentration point was diluted 40-fold with the reaction buffer.4 μL of Compound solution and 2 μL of VEGFR1 kinase solution were added to a 384-well detection plate (Corning, catalog number 4512), mixed uniformly and incubated at room temperature for 15 minutes. Then 4 μL of the substrate reaction solution was added, and the reaction mixture was incubated at room temperature for 50 minutes. Then 10 μL of the assay buffer equal to the volume of the reaction was added, mixed uniformly and allowed to stand at room temperature for 30 minutes, and then the reaction progress was detected with an Envision plate reader (Perkin Elmer) at wavelengths of 620 nm and 665 nm. 
13177	2	VEGFR2 Activity Inhibition Assay	The in vitro activity of VEGFR2 was determined by detecting the phosphorylation level of the substrate in the kinase reaction using a homogeneous time-resolved fluorescence (HTRF) kinase detection kit (Cisbio, catalog number 62TKOPEC). The reaction buffer contains an enzyme reaction buffer (1×) provided in the kit, 5 mM MgCl2, 1 mM MnCl2, 1 mM DTT, 0.01% BSA and 0.005% Tween 20. The humanized recombinant VEGFR2 protein (Cat. No. 10012-H20B1) was purchased from Sino Biological Inc., and diluted to a 0.3 ng/μL kinase solution with the reaction buffer. The substrate reaction solution includes 0.3 μM biotin-labeled tyrosine kinase substrate and 3.5 μM ATP which were diluted with the reaction buffer. The assay buffer includes 0.1 ng/μL Eu3+ labeled cage antibody and 18.75 nM streptavidin labeled XL665 (Cisbio, catalog number 610SAXLB) which were diluted with the reaction buffer.The compound was dissolved and diluted to 10 μM in 100% DMSO, then a 4-fold serial dilution was performed with DMSO to the lowest concentration of 0.61 nM, and each concentration point was diluted 40-fold with the reaction buffer.4 μL of Compound solution and 2 μL of VEGFR2 kinase solution were added to a 384-well detection plate (Corning, catalog number 4512), mixed uniformly and incubated at room temperature for 15 minutes. Then 4 μL of the substrate reaction solution was added, and the reaction mixture was incubated at room temperature for 30 minutes. Then 10 μL of the assay buffer equal to the volume of the reaction was added, mixed uniformly and allowed to stand at room temperature for 30 minutes, and then the reaction progress was detected with an Envision plate reader (Perkin Elmer) at wavelengths of 620 nm and 665 nm. The ratio of 665/620 is positively correlated with the phosphorylation degree of the substrate, thereby detecting the activity of VEGFR2 kinase.
13177	3	VEGFR3 Activity Inhibition Assay	The in vitro activity of VEGFR3 was determined by detecting the phosphorylation level of the substrate in the kinase reaction using a HTRF kinase detection kit (Cisbio, catalog number 62TK0PEC). The reaction buffer contains an enzyme reaction buffer (1×) provided in the kit, 5 mM MgCl2, 1 mM MnCl2, 1 mM DTT and 0.01% Tween 20. The humanized recombinant VEGFR3 protein (Cat. No. 08-190) was purchased from Carna Biosciences, and diluted to a 0.05 ng/μL kinase solution with the reaction buffer. The substrate reaction solution includes 0.13 μM biotin-labeled tyrosine kinase substrate and 0.4 μM ATP which were diluted with the reaction buffer. The assay buffer includes 0.1 ng/μL Eu3+ labeled cage antibody and 8.13 nM streptavidin labeled XL665 which were diluted with the reaction buffer.The compound was dissolved and diluted to 10 μM in 100% DMSO, then a 4-fold serial dilution was performed with DMSO to the lowest concentration of 0.61 nM, and each concentration point was diluted 40-fold with the reaction buffer.4 μL of Compound solution and 2 μL of VEGFR3 kinase solution were added to a 384-well detection plate (Corning, catalog number 4512), mixed uniformly and incubated at room temperature for 15 minutes. Then 4 μL of the substrate reaction solution was added, and the reaction mixture was incubated at room temperature for 40 minutes. Then 10 μL of the assay buffer equal to the volume of the reaction was added, mixed uniformly and allowed to stand at room temperature for 30 minutes, and then the reaction progress was detected with an Envision plate reader (Perkin Elmer) at wavelengths of 620 nm and 665 nm. The ratio of 665/620 is positively correlated with the phosphorylation degree of the substrate, thereby detecting the activity of VEGFR3 kinase.
13178	1	Biochemical ATX Assay	5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2), 1 mM MgCl2 0.14 mM NaCl, and 0.1% bovine serum albumin. Test compounds were dissolved in DMSO and tested in the range of 0.1 nM to 10 μM. The enzymatic reaction (22.5 μL) was started by addition of 2.5 μL 10 μM 18:1 LPC (Avanti Lipids, Alabaster, AL, USA). After 2-h incubation at room temperature, the reaction was stopped by addition of 20 μL water containing 500 nM 20:4 LPA as internal standard and 100 μL 1-butanol for extracting LPA. Subsequently, the plates were centrifuged at 4000 rpm, 4° C., for 2 min. The resultant upper butanol phase was directly used for injection at a RapidFire system (Agilent).
13179	1	TBD	TBD
13179	2	TBD	TBD
13180	1	Radioligand Binding Assay	For all four adenosine receptors (A1, A2A, A2B and A3) filtration binding assay was performed. Radioligand binding competition assay was done in duplicates in the wells of a 96-well plate (Master Block, Greiner, 786201) containing binding buffer, receptor membrane extracts, a fixed concentration of tracer and test compound at increasing concentrations. In order to eliminate effect of buffer components, binding buffer was the same for all four receptors and contained: 50 mM Tris-HCl pH 7.4, 5 mM MgCl2, 1 mM EDTA, 150 mM NaCl, 0.1% Na-azide, and 5 U/ml adenosine-deaminase. Nonspecific binding was determined by co-incubation with 200-fold excess of cold competitor. In all radioligand binding experiments, the samples were incubated in a final volume of 0.1 ml for 60 minutes at 25° C. and then filtered over Unifilter plates (Perkin Elmer) pre-treated for 2 hours to limit tracer non-specific binding. Filters were washed five times with 0.5 ml of ice-cold washing buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl2, 1 mM EDTA) and 50 μl of Microscint 20 (Perkin Elmer) were added to each filter. The plates are incubated 15 min at room temperature on an orbital shaker and then counted with a TopCount™ for 1 min/well.
13181	1	HTRF-Based EGFR Biochemical Assay	EGFR biochemical activity measurements were carried out using the homogeneous time-resolved fluorescence (HTRF) assay (Cisbio), inhibitors and DMSO normalizations were first dispensed to empty black low-volume 384-well plates (Corning) with 0300 digital liquid dispenser (HP). All reactions were carried out at room temperature and solutions were added to plates with a Multidrop Combi Reagent Dispenser (ThermoFisher). The reaction mixture (10 μL final volume) contained 1 μM tyrosine kinase peptide-biotin substrate and mutant EGFR in a reaction buffer (50 mM HEPES pH 7.0, 5 mM MgCl2, 1 mM MnCl2, 0.01% BSA, 2 mM TCEP, 0.1 mM NaVO4). Enzyme concentrations were adjusted to accommodate varying kinase activities (L858R 0.1 nM, L858R/T790M 0.02 nM). Enzyme reaction solution (2× concentrations, 5 μL) was added to 384-well plates containing compounds and incubated for 30 mins. Enzyme reactions were initiated with the addition of 5 μL of ATP to a final concentration of 100 μM and reacted for 20 mins. Reactions were quenched with the addition of 10 μL of phospho-tyrosine antibody-Europium(III) cryptate (1-to-180 volume ratio) and Streptavidin-XL665 (46.7 nM) in EDTA-containing detection buffer, then incubated at room temperature for 1 hour, and read with a PHERAstar plate reader (excitation=337 nm, emission=620 nm and 665 nm).
1792	1	Inhibtion Assay	On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 g/mL streptomycin (Invitrogen))) and plated at a density of 2.4×104 cells/40 &#956;L/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 &#956;L/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-fold concentration (DMSO concentration: 1%). To the plate where cells were plated was added the present compound at 5 &#956;L/well and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 30 minutes. For a control and a blank, the assay medium containing 1% DMSO was added at 5 &#956;L/well in place of the solution of the present compound. Subsequently the assay medium containing NGF (Mouse 2.5 s, Natural, Invitrogen) was added to the plate at 5 &#956;L/well (final concentration of NGF: 50 ng/ml) and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 5 hours. For the blank group, the assay medium was added in place of NGF at 5 &#956;L/well.
1793	1	Biological Assay	The kinase reaction is performed in a final volume of 50 &#956;l per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 &#956;M and 6 &#956;g/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase &#948;. 10 &#956;l test compound in 5% DMSO per well in columns 2-1.        Total activity is determined by addition 10 &#956;l of 5% vol/vol DMSO in the first 4 wells of column 1 and the last 4 wells of column 12.        The background is determined by addition of 10 &#956;M control compound to the last 4 wells of column 1 and the first 4 wells of column 12.        2 mL &#145;Assay mix&#146; are prepared per plate:            1.912 mL of HEPES assay buffer            8.33 &#956;l of 3 mM stock of ATP giving a final concentration of 5 &#956;M per well            1 &#956;l of [33P]ATP on the activity date giving 0.05 &#956;Ci per well            30 &#956;l of 1 mg/mL PI stock giving a final concentration of 6 g/mL per well            5 &#956;l of 1 M stock MgCl2 giving a final concentration of 1 mM per well        20 &#956;l of the assay mix are added per well.        2 mL &#145;Enzyme mix&#146; are prepared per plate (x* &#956;l PI3 kinase p110&#946; in 2 mL of kinase buffer). The &#145;Enzyme mix&#146; is kept on ice during addition to the assay plates.        20 &#956;l &#145;Enzyme mix&#146; are added/well to start the reaction.        The plate is then incubated at room temperature for 90 minutes.        The reaction is terminated by the addition of 50 &#956;l WGA-SPA bead (wheat germ agglutinin-coated Scintillation Proximity Assay beads) suspension per well.        The assay plate is sealed using TopSeal-S (heat seal for polystyrene microplates, PerkinElmer LAS [Deutschland] GmbH, Rodgau, Germany) and incubated at room temperature for at least 60 minutes.        The assay plate is then centrifuged at 1500 rpm for 2 minutes using the Jouan bench top centrifuge (Jouan Inc., Nantes, France).        The assay plate is counted using a Packard TopCount, each well being counted for 20 seconds.        The volume of enzyme is dependent on the enzymatic activity of the batch in use.
1794	1	Biological Assay	Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVision (Fluorescence Intensity/Absorbance Monochromator) or Tecan Infinite 200 PRO series plate reader was used to detect change in fluorescent intensity.Assessing ATX inhibition ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention were prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;em 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. ATX activity was measured as a slope of the linear portion of the progress curve, typically between 14 to 24 minutes.
1795	1	IDO Kynurenine Assay	Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clear bottom tissue culture plate (Matrix Technologies LLC) 125 nL of certain concentration of compound was then added to each well using ECHO liquid handling systems. The cells were incubated for 20 hours in 37° C. incubator with 5% CO2.The compound treatments were stopped by adding Trichloroacetic Acid (Sigma-Aldrich) to a final concentration at 0.2%. The cell plate was further incubated at 50° C. for 30 minute. The equal volume supernatant (20 uL) and 0.2% (w/v) Ehrlich reagent (4-dimethylaminobenzaldehyde, Sigma-Aldrich) in glacial acetic acid were mixed in a new clear bottom 384-well plate. This plate was then incubated at room temperature for 30 minute. The absorbance at 490 nm was measured on Envision plate reader.Compound IC50 values were calculated using the counts of 500 nM of a reference standard treatment as one hundred percent inhibition, and counts of no compound but DMSO treatment as zero percent inhibition.
1796	1	In Vitro Assay 	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
1797	1	Biological Assay	Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts as the purine ring of ATP and make at least one conserved hydrogen bond to the hinge region. Potent inhibitors also occupy at least one hydrophobic pocket adjacent to the ATP-binding site. These additional hydrophobic interactions increase both binding affinity and target selectivity of the inhibitor because there is substantial heterogeneity among different kinases in these regions. Examination of the TgCDPK1 sequence in the vicinity of the ATP-binding pocket (FIG. 2b ) shows that it contains a glycine residue at a position that has been termed the gatekeeper residue because it constrains access to the ATP-binding site21-23. The glycine at this position in TgCDPK1 (Gly128) is expected to create a much larger pocket off the ATP-binding site than is typically seen in protein kinases and comparison of the TgCDPK1 structure with other kinases shows that this is indeed the case. This difference in the active site architectures can be exploited for design of selective inhibitors against TgCDPK1.
1797	2	Biological Assay	Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled &#947;-phosphate of ATP added to a biotinylated peptide substrate and an ATP consumption assay where ATP consumption was monitored by luciferase and light production (KinaseGlo , Promega Corp., Madison, Wis.). Both assays gave similar results for calcium dependence, Km of substrates (less than 2-fold differences in Km values; see Table 6 FIGS. 6, 7, 8, and 9), and inhibitor concentrations for 50% enzyme inhibition.
1798	1	Biochemical Assay	The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invitrogen.com/content.cfm?pageid=11338 or www.invitrogen.com/site/us/en/home/Products-and-Services/Applications/Drug-Discovery/Target-and-Lead-Identification-and-Validation/KinaseBiology/KB-Misc/Biochemical-Assays/Omnia-Kinase-Assays.html.Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
1799	1	Inhibition Assay	The procedure for measuring the 11&#946;-HSD1-inhibitory activity is as follows. The enzyme reaction and the measurement were carried out using a 384-well plate. The enzyme was prepared in accordance with Journal of Biological Chemistry, 2001, Vol. 276, p. 21343-21350. The reaction was carried out by adding a test compound at various concentrations to a reaction liquid consisting of a 5 mM phosphate buffer (pH 6.6), 200 nM cortisone, 40 &#956;M reduced nicotinamide adenine dinucleotide phosphate (NADPH), and rat recombinant 11&#946;-HSD1, followed by incubating at room temperature for one hour (10 &#956;l/well). The test compound was prepared by dissolving in dimethyl sulfoxide (DMSO) such that a DMSO concentration reached 1% in the reaction liquid. After the enzyme reaction was completed, the enzyme inhibitory action was measured by detecting cortisol using a homogeneous time-resolved fluorescence (HTRF) method. Each of a d2-labeled cortisol containing 400 &#956;M carbenoxolone and a cryptate-labeled cortisol antibody (CIS Bio International Co., Ltd.) was added at 5 &#956;l/well, followed by incubating at room temperature for 2 hours, and then the fluorescence intensity was measured using a fluorophotometer (trade name: ARVO HTS 1420, Perkin Elmer/Wallac), and the enzyme inhibitory activity was calculated from the fluorescence intensity ratio of two wavelengths (665 nm/620 nm).The measurement results were calculated by averaging the values of 3 wells of the same condition. The ratio when DMSO was added instead of the test compound was taken as 0% and the ratio when 11&#946;-HSD1 was not added was taken as 100%, thereby calculating the 50% inhibition concentration of the test compound as IC50 of the compound inhibitory activity.
1800	1	Inhibition Assay	5 &#956;l of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or the Janus (384-well MDT head from Perkin Elmer). Using a 16-channel Matrix multi-channel pipette, 35 pII of the working solution of HDAC4 catalytic domain enzyme (0.86 &#956;g/ml in assay buffer) is transferred to the assay plate. The assay is then started by adding 10 &#956;l of 5× (50 &#956;M) substrate to the assay plates using either the Bravo, Janus or 16-channel Matrix multi-channel pipette. The assay plate is then shaken for two minutes on an orbital shaker at 900 rpm (rotations per minute). Next the plate is incubated for 15 minutes at 37° C. The reaction is stopped by adding 25 &#956;l of 3× (30 &#956;M) developer/stop solution to the assay plates using either the Bravo, Janus or a 16-channel Matrix multi-channel pipette. Assay plates are then shaken for 5 minutes on an orbital shaker at 1200 rpm. Next, the assay plates are incubated at 37° C. for 1 hour in a tissue culture incubator. Finally, the fluorescence is measured (Excitation: 355 nm, Emission: 460 nm) using PerkinElmer EnVision in top read mode.
1803	1	Fluorescence Polarisation Assay	Method A:The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 corresponds to the UniProtKB primary accession number: P10415), at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.50×10&#8722;8M in a buffer solution (NaPO4 20 mM, NaCl 50 mM, EDTA 1 mM, pH 7.4), in the presence or absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.Method B:The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 corresponds to the UniProtKB primary accession number: P10415), at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.00×10&#8722;8M in a buffer solution (Hepes 10 mM, NaCl 150 mM, Tween20 0.05%, pH 7.4), in the presence or absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.
1805	1	FLIPR Ca2+ Flux Assay	FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. 
1807	1	Time-Resolved Fluorescence Energy Transfer (TR-FRET) Kinase Assay	In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nL of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;L of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 ng/mL were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;L 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;L final volume) was incubated at 22° C. during 60 min., and the reaction was stopped by the addition of 5 &#956;L of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-001] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. 
1809	1	TR-FRET assay 	TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product resulted in a decrease in TR-FRET signal as the labeled fluorophore was displaced from the GRP-1 protein binding site. Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2× Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. The compounds of Table 1, Compound X ((S)-2-(1-((9H-purin-6-yl)amino)ethyl)-5-chloro-3-phenylquinazolin-4(3H)-one) and Compound Y ((S)-4-amino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile), were added to the assay solution and incubated for 30 minutes at 25° C. Additionally, compounds 19 to 116 were added to the assay solution and incubated for 30 minutes at 25° C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 500 &#956;s read window).
1811	1	Biochemical Assay	Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flanking 5&#8242; sequence encoding a FLAG tag (MDYKDDDDK) (SEQ ID NO.:4) fused directly to Ala 2 of PRMT5. Full-length human MEP50 (NM_024102) clone was amplified from a human testis cDNA library incorporating a 5&#8242; sequence encoding a 6-histidine tag (MHHHHHH) (SEQ ID NO.:5) fused directly to Arg 2 of MEP50. The amplified genes were sublconed into pENTR/D/TEV (Life Technologies) and subsequently transferred by Gateway attL×attR recombination to pDEST8 baculvirus expression vector (Life Technologies).Protein Expression. Recombinant baculovirus and Baculovirus-Infected Insect Cells (BIIC) were generated according to Bac-to-Bac kit instructions (Life Technologies) and Wasilko, 2006, respectively. Protein over-expression was accomplished by infecting exponentially growing Spodoptera frugiperda (SF9) cell culture at 1.2×106 cell/ml with a 5000 fold dilution of BIIC stock. Infections were carried out at 27° C. for 72 hours, harvested by centrifugation, and stored at &#8722;80° C. for purification.
1813	1	Biochemical Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
1813	2	Biochemical Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
1814	1	Biochemical In Vitro Assay	To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptured by sonication on ice and the lysate is cleared by centrifugation. The resulting protein in the pellet is re-extracted and TPH1 is purified from the obtained lysate by affinity chromatography using a pterin cosubstrate analog immobilized to the resin of the column. The protein is further purified by size exclusion chromatography to remove protein aggregates. The activity of TPH1 is determined by using a fluorescence assay. The enzyme activity assay is carried out at 15° C. with atmosphere oxygen for the duration of 60 minutes in a volume of 64 &#956;l. The reaction is carried out in a 0.1 M Tris-HCl buffer, adjusted to pH 7.6, containing 1 mM DTT, 0.2 mg/mL catalase, 100 &#956;M (±)-6-methyl-5,6,7,8-tetrahydropterine dihydrochloride, 40 &#956;M L-tryptophan, and 40-80 nM of TPH1. The reaction is started by bringing together L-tryptophan with all the other reaction substituents and stopped by quenching with perchloric acid (HClO4). The amount of 5-hydroxy-L-tryptophan produced during the enzymatic reaction is determined by fluorescence readout. Fluorescence, as determined at 540 nm when excited at 300 nm wavelength, increases proportionally to the 5-hydroxy-L-tryptophan formed. Compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into the assay plate. Fluorescence is measured for each well and the fluorescence at 540 nm wavelength is compared to the fluorescence of the vehicle in place of compound. Inhibitory activities of example compounds with respect to the TPH1 protein are determined by calculating the IC50 value (the concentration of compound needed to inhibit 50% of the enzyme activity).
1797	3	Inhibition Assay	Inhibition of human tyrosine kinases.
1791	1	TR-FRET Binding Assay	His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CBP (4 nM final) was combined with biotin-ligand (60 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (6×His disclosed as SEO ID NO: 3) (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 50 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1791	2	AlphaLisa Binding Assay	His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-1/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD4(BD1) (30 nM final) was combined with peptide (200 nM final) in 40 mM HEPES (pH 7.0), 40 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 1.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature Alpha streptavidin donor beads and AlphaLisa anti-Flag acceptor beads were added to a final concentration of 10 ug/mL each. After three hours equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1815	1	Inhibitory Activity Assay	Expression vector each expressing a gene was inserted using Lipofectamine 2000 (Invitrogen) to cultured cell line HEK293 cell derived from human fetus renal cell. The resistant strains were selected using G418, and among them, the strains showing human LAT-1- or LAT-2-specific uptake of amino acid were established as stably expressing cell lines, respectively.The above-mentioned stably expressing cells were plated on a 24-well collagen plate at 1.2×105 cells/well, and, after 48 hr, the cells were washed (×3) with uptake buffer (Na2+-free Hank&#39;s balanced salt solution (HBSS) pH7.4) kept at 37° C. Each test compound (0.1, 1, 3, 10, 30, 100, 300 and 1000 &#956;M) was added thereto, and the mixture was kept at 37° C. for 3 min. [14C]L-leucine or alanine (1 &#956;M) was added thereto, and [14C]L-leucine or alanine (1 &#956;M) was uptaken for 1 min. The mixture was washed with ice-cold uptake buffer (×3). Then, the cells were dissolved in 0.1M NaOH aqueous solution (500 &#956;L), and the protein concentration was measured using the 20 &#956;L of the solution. 
1817	1	SPA Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromotography. 15 ug/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM for 10 min at room temperature in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% Glycerol (Sigma Cat# G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer).
1818	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4mel-biotin labeled peptide (Anaspec cat # 64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4mel-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. 
1819	1	Enzyme Inhibition	p38 MAPK&#947;: The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) is then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
1819	2	Enzyme Inhibition	c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1819	3	Enzyme Inhibition	GSK 3&#945;: The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels. 
1819	4	Enzyme Inhibition	The inhibitory activities of compounds of the invention against the GSK 3-alpha enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-alpha protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3alpha, and ATP (40 uM, 2.5 uL) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1820	1	FLIPR Assay	The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 &#956;M) are pipetted onto the cells and the Ca2+ influx is determined in comparison to the control (capsaicin 10 &#956;M), providing the result as % activation and representing the compound-alone effect (calculation at peak signal related to baseline). A Ca2+ influx of 10%-60% reveals a partial agonist (pAG), a Ca2+ influx of >60% relates to a pure agonist (AG). After 5 min incubation, the Ca2+ influx is related to an injection of 100 nM of capsaicin and thereby the antagonistic effect of the test compounds detected.
1821	1	Kinase Assay	Radioisotope assays (SignalChem) were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive working area. The kinase targets were RSK1, RSK2, RSK3, RSK4 and MK2. The kinase assays (in duplicate) were performed at 30° C. for 15 minutes in a final volume of 25 &#956;L according to the following assay reaction recipe: Component 1: 5 &#956;L of diluted active kinase target (100 ng per reaction) Component 2: 5 &#956;L of peptide substrate (0.5 &#956;g per reaction) (for RSK1, RSK2, RSK3 and RSK4, RSK S6K substrate was used; for MK2, HSP27tide was used) Component 3: 5 &#956;L of kinase assay buffer Component 4: 5 &#956;L of compound described herein (various concentrations: 0, 0.1, 1, 10, 100 or 1000 nM or 1, 3, 10, 30, 100, 300 nM) Component 5: 5 &#956;L of 33P-ATP (5 &#956;M stock solution, 0.8 &#956;Ci; 20 &#956;M final concentration)The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assay was terminated by spotting 10 &#956;L of the reaction mixture onto Multiscreen phosphocellulose P81 plate. The Multiscreen phosphocellulose P81 plate was washed 3 times for approximately 15 minutes each in a 1% phosphoric acid solution. The radioactivity on the P81 plate was counted in the presence of scintillation fluid in a Trilux scintillation counter.
1822	1	Biochemical Assay	Assays for biochemical cell-based activity of c-kit kinase are known in the art, for example, as described in U.S. Pat. Nos. 7,498,342 and 7,846,941, the disclosures of which are hereby incorporated by reference as it relates to such assays. The c-kit (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested were dissolved in DMSO to a concentration of 30 mM. These were diluted 30 &#956;l into 130 &#956;l of DMSO (4 mM) and 1 &#956;l was added to an assay plate. These were then serially diluted 1:3 (50 &#956;l to 100 &#956;l DMSO) for a total of 8 points. Plates were prepared such that each kinase reaction is 30 &#956;l in 1× kinase buffer (50 mM HEPES, pH 7.2, 5 mM MgCl2, 5 mM MnCl2, 0.01% NP-40, 0.2% BSA), 5% DMSO and 10 &#956;M ATP. Substrate was 100 nM biotin-(E4Y)3 (Open Source Biotech, Inc.). C-kit kinase was at 0.1 ng per sample. After incubation of the kinase reaction for 1 hour at room temperature, 5 &#956;l of donor beads (Streptavidin coated beads (Perkin Elmer Life Science) final concentration 1 &#956;g/ml) in stop buffer (50 mM EDTA in 1× kinase buffer) was added, the sample was mixed and incubated for 30 minutes at room temperature before adding 5 ml of acceptor beads (PY30 coated beads (Perkin Elmer Life Science) final concentration 1 &#956;g/ml) in stop buffer. The samples were incubated for 60 minutes at room temperature and the signal per well was read on AlphaQuest reader. Phosphorylated substrate results in binding of the PY30 antibody and association of the donor and acceptor beads such that signal correlates with kinase activity. 
1822	2	Biochemical Assay	The c-kit mutant D816V (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit mutant D816V kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested were dissolved in DMSO to a concentration of 30 mM. These were diluted 30 ml into 130 ml of DMSO (4 mM) and 1 &#956;l was added to an assay plate. These were then serially diluted 1:3 (50 &#956;l to 100 ml DMSO) for a total of 8 points. Plates were prepared such that each kinase reaction is 30 ml in 1× kinase buffer (25 mM HEPES, pH 7.2, 8 mM MgCl2, 2 mM MnCl2, 50 mM NaCl, 0.01% Brij, 1 mM DTT, 0.01% BSA), 5% DMSO and 10 &#956;M ATP. Substrate was 30 nM biotin-(E4Y)10 (EMD Millipore, Cat#12-440). C-kit mutant D816V kinase was at 0.75 ng per sample. After incubation of the kinase reaction for 30 minutes at room temperature, 5 &#956;l of donor beads (Streptavidin coated beads (Perkin Elmer Life Science) final concentration 7.5 &#956;g/ml) in stop buffer (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA) was added, the sample was mixed and incubated for 30 minutes at room temperature before adding 5 ml of acceptor beads (PY30 coated beads (Perkin Elmer Life Science) final concentration 7.5 &#956;g/ml) in stop buffer. 
1823	1	Enzyme Assay	An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HTMS) as a means of product detection. This assay served as a primary screen to evaluate the ability to inhibit KHK enzyme activity and it has been adapted to high throughput mass spectrometry (HTMS, BioTrove RapidFire) format for higher throughput.The compounds to be tested were dosed in 12-points concentration from 511 &#956;M to 0.5 &#956;M. Inhibition of the fragment, IC50, was determined in a dose-response curve under the established steady-state conditions of 200 M fructose, 100 &#956;M ATP and 2 nM KHK for 60 min at 25° C. The assay was carried out in 384-well plate format.
1824	1	Electrophysiological Assay (In Vitro Assay)	The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.7 and NaV1.5 cDNAs (NM_002977 and AC137587; SCN5A, respectively) were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed in both the NaV1.7 and NaV1.5 cell lines.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH.
1825	1	Cell-Free Assay	A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Green at the Cys residue is used to assay beta-secretase activity in the presence or absence of the inhibitory compounds. The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 cells that have been transfected with a soluble BACE construct (BACE1delta&#153;96His). Compounds are incubated in a log dose response curve from a top concentration of 100 &#956;M with BACE1 enzyme and the biotinylated fluorescent peptide in 384-well black plates (Thermo Scientific #4318). BACE1 is at a final concentration of 0.1 nM with a final concentration of peptide substrate of 150 nM in a reaction volume of 30 &#956;L assay buffer [100 mM sodium acetate, pH 4.5 (brought to pH with acetic acid), and 0.001° A Tween-20]. Plates are covered and incubated for 3 hours at 37° C. The reaction is stopped with the addition of 30 &#956;L of 1.5 &#956;M Streptavidin (Pierce, #21125). After a 10 minute incubation at room temperature, plates are read on a PerkinElmer EnVision for fluorescence polarization (Ex485 nm/Em530 nm). The activity of the beta-secretase enzyme is detected by changes in the fluorescence polarization that occur when the substrate is cleaved by the enzyme. 
1825	2	Scintillation Proximity Binding Assay (SPA)	The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound in a scintillation proximity assay (SPA). Utilizing a radiolabeled small molecule BACE active site binding inhibitor and crude HEK cell membrane preparations over-expressing full length BACE1, the binding of enzyme by test compound was monitored as a reduction of specific counts bound at pH 6.0. Full length human BACE1 over-expressed in HEK cells was prepared by Pfizer scientists. Frozen stock cell paste was reacted in 50 mM sodium acetate buffer (pH=6.0) containing 3H-(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine ligand, SPA bead and 60 &#956;M to 600 pM of test compound in an assay volume of 27 uL. The compound plate also contained positive (BACE inhibitor) and negative (DMSO) control wells. The binding was carried out at room temperature for 30 minutes and then the plates were read on a TriLux Microbeta reader to determine the number of counts bound. 
1828	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Biosciences #08-176) (5 pM final concentration) was incubated with various concentrations of the inhibitor diluted in DMSO (0.1% final concentration) for 10 minutes at room temperature in 15 mM Tris-HCl (pH 7.5), 0.01% tween 20, 2 mM DTT in 384 well plate format. To initiate the reaction the biotinylated substrate peptide (250 nM final concentration) that contains the phosphorylation site for Syk was added with magnesium (5 mM final concentration) and ATP (25 &#956;M final concentration). Final volume of the reaction was 10 &#956;L. Phosphorylation of the peptide was allowed to proceed for 45&#8242; at room temperature. To quench the reaction and detect the phosphorylated product, 2 nM of a Europium-anti-phosphotyrosine antibody (Perkin Elmer #AD0161) and 70 nM SA-APC (Perkin-Elmer #CR130-100) were added together in 15 mM Tris pH 7.5, 40 mM EDTA, 0.01% tween 20. Final volume of the quenching solution was 10 &#956;L.
1829	1	Inhibition Assays	Class I PI3-Ks can be either purchased (p110&#945;/p85&#945;, p110&#946;/p85&#945;, p110&#948;/p85&#945; from Upstate, and p110&#947; from Sigma) or expressed as previously described (Knight et al., 2004). IC50 values are measured using either a standard TLC assay for lipid kinase activity (described below) or a high-throughput membrane capture assay. Kinase reactions are performed by preparing a reaction mixture containing kinase, inhibitor (2% DMSO final concentration), buffer (25 mM HEPES, pH 7.4, 10 mM MgCl2), and freshly sonicated phosphatidylinositol (100 &#956;g/mL). Reactions are initiated by the addition of ATP containing 10 &#956;Ci of &#947;-32P-ATP to a final concentration of 10 or 100 &#956;M and allowed to proceed for 5 minutes at room temperature. For TLC analysis, reactions are then terminated by the addition of 105 &#956;L 1N HCl followed by 160 &#956;L CHCl3:MeOH (1:1). The biphasic mixture is vortexed, briefly centrifuged, and the organic phase is transferred to a new tube using a gel loading pipette tip precoated with CHCl3. This extract is spotted on TLC plates and developed for 3-4 hours in a 65:35 solution of n-propanol:1M acetic acid. 
1830	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4mel-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.
1831	1	Inhibition Kinases In Vitro Assay	The compounds were dissolved in 100% DMSO, and obtained solutions were serially diluted in reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM EGTA, 0.1 mM Na3VO4, 0.01% Triton X-100, 2.5 mM DTT). Recombinant FGFR1, FGFR2, FGFR3 or KDR kinase (Carna Biosciences) was diluted to final concentration of 0.1 ng/&#956;L in the dilution buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 10% glycerol, 0.05% Triton X-100, 1 mM DTT). 5 &#956;L of prepared solutions of the compounds along with 5 &#956;L of selected kinase solution were added to each well of a 96-well plate. The plate was incubated for 10 minutes at 25° C. in plate shaker thermostat with orbital shaking at 400 rpm. To negative control wells all reagents were added except compounds and kinase, while to positive control wells all reagents except tested compounds. The reaction was initiated by adding 15 &#956;L of solution consisting of 5× concentrated reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM EGTA, 0.1 mM Na3VO4, 0.01% Triton X-100, 2.5 mM DTT), water, 50 &#956;M ATP, 16.67 &#956;M IGF-1Rtide peptide (Milipore). Than the plate was incubated for 1 hour at 25° C. in plate shaker thermostat with orbital shaking at 400 rpm. Detection of ADP obtained in enzymatic reaction was performed with ADP-Glo Kinase Assay (Promega). 25 &#956;L of ADP-Glo Reagent was added to each well of 96-well plate and the plate was incubated for 40 minutes at 25° C. in plate shaker thermostat with orbital shaking at 400 rpm. Then 50 &#956;L of Kinase Detection Reagent was added to each well of 96-well plate and the plate was incubated for 30 minutes at 25° C. in plate shaker thermostat with orbital shaking at 400 rpm. Finally, the intensity of luminescence was measured using Victor Light luminometer (Perkin Elmer, Inc.).
1835	1	TR-FRET Assay	Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM EDTA, 0.01% Triton X-100, 1 mM DTT) to yield 3× working solutions. Six microliters (&#956;L) of the working solution was then transferred to white, low-volume assay plates (Costar #3673). A 1.5× assay mixture containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and the Alexa-647-conjugated probe molecule was also prepared. Twelve &#956;L of this solution were added to the assay plate to reach a final volume of 18 &#956;L. The final concentration of 1× assay buffer contains 2% DMSO, 50 &#956;M&#8722;0.85 nM compound, 8 nM bromodomain, 1 nM antibody and 100 or 30 nM probe (for BDI or BDII, respectively). After a one-hour incubation at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).TR-FRET data were normalized to the means of 24 no-compound controls (high) and 8 controls containing 1 &#956;M un-labeled probe (low). Percent inhibition was plotted as a function of compound concentration and the data were fit with the 4 parameter logistic equation to obtain IC50s Inhibition constants (Ki) were calculated from the IC50s, probe Kd and probe concentration. Typical Z&#8242; values were between 0.65 and 0.75. The minimum significant ratio was determined to evaluate assay reproducibility (Eastwood et al., (2006) J Biomol Screen, 11: 253-261). 
1837	1	Biochemical Screening Assay	Compounds were tested in a biochemical screening assay using recombinant sEH purified from Sf9 insect cells and an artificial substrate, (3-phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphtalen-2-yl)-methyl ester, Phome. The biochemical assay was performed in analogy to a fluorometric described in the literature (P. D. Jones et al., Anal. Biochem. 2005, 343, 66-75). The assay principle bases on the sEH-catalyzed hydrolysis of an artificial &#945;-cyano-ester substrate. O-deacetylation liberates a cyanohydrin intermediate that rapidly decomposes to the highly fluorescent 6-methoxy-2-naphtaldehyde. To discriminate sample autofluorescence, the assay was carried out as a kinetic measurement with two time points. The first measurement is performed immediately before addition of the substrate and the 15 second measurement is done after completion of the assay. The assay format is either in 96- or in 384-well format.Details of the assay using a 96-well plate format are described below. 40 &#956;l recombinant sEH enzyme and 5 &#956;l test compound are pre-incubated for 15 minutes at 30° C. Following pre-incubation, the reaction is started by addition of 5 &#956;l Phome. The assay mixture containing 2 nM final sEH concentration, test compound ranging in a concentration from 0.0001-10 &#956;M and 5 &#956;M Phome is incubated for 60 minutes at 30° C.
1840	1	In Vitro PX Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to 10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes.
1840	2	In Vitro PX Assay	293 cells stably transfected with Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system according the manufacturer's specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Cells were held at a holding potential of 50 mV to inactivate sodium channels. To elicit sodium currents the voltage was changed to 120 mV to recover a portion of the channels, followed by delivery of test pulses of 20 msec duration to 0 mV, at 0.1 Hz. A single concentration of test compound was applied to cells for a duration of 5 minutes.
1841	1	Phosphodiersterase Evaluation Assay	IMAP TR-FRET Phosphodiersterase Evaluation Assay Kit (Molecular Device) was used for the measurement. Ten &#956;L of a diluted test compound having each concentration and 5 &#956;L of the enzyme PDE10 (BPA Bioscience) that had been diluted to 2 ng/mL with 1×IMAP Reaction Buffer (prepared with 5×included with the kit, 10 mM Tris-HCl, pH=7.2, 10 mM MgCl2, 0.05% NaN3, and 0.1% BSA) containing 0.1% BSA were added to a 384-well plate (Corning). The obtained mixture was then pre-incubated at room temperature for 5 minutes. Thereafter, 5 &#956;L of cAMP substrate solution which was included with the kit and diluted to 400 nM with 1×IMAP Reaction Buffer containing 0.1% BSA, was added to the reaction solution, and the obtained mixture was reacted at room temperature for 60 minutes. Thereafter, 60 &#956;L of an IMAP TR-FRET Binding solution included with the kit was further added to the reaction solution, and the obtained mixture was then left for 3 hours or more. Subsequently, using ARVO SX (PerkinElmer), the fluorescent intensity of Terbium (Emission=490 nm) and TR-FRET (Emission=520 nm) in the reaction solution were measured at an excitation wavelength of 340 nm, so as to calculate the amount of the generated 5&#8242;-AMP. The count of a well to which a solvent had been added instead of the test compound was set at 0%, and the count of a well to which the enzyme PDE10 had not been added was set at 100%. Thus, the inhibitory activity of each test compound was calculated.
1842	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
1843	1	Kinase Assay	For the assay 50 nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
1843	2	Kinase High ATP Assay	For the assay 50 nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
1844	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer.
1848	1	Scintillation Proximity Binding Assay	Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer&#39;s recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 &#956;l per well in SPA buffer (1X PBS, pH 7.4, 1mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 &#956;M of unlabeled retinol. The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4° C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
1849	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). 
1851	1	TrkA ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 uM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 ug/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm.
1851	2	Jak2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 uM ATP, 10 uM Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 uL. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4210).
1851	4	Jak1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture contained 500 uM ATP, 8 uM Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 5 nM Jak1 in a total volume of 20 uL. GST-tagged human Jak1 kinase domain comprising amino acids 866-1154 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4774).
1851	5	Jak3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture contained 500 M ATP, 10 uM Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 1.5 nM Jak3 in a total volume of 20 uL. GST-tagged human Jak3 kinase domain comprising amino acids 781-1124 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV3855).
1851	3	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 uM ATP, 8 uM Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 20 uL. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from baculovirus in-house at Array BioPharma Inc. (Boulder, Colo.).
1853	1	Kinase Assay	c-Met Kinase Activity was Measured with an ELISA Reader. The Specific Operation as Follows:To the plate filled with 0.25 mg/mL PGT, the compounds, 50 pM c-Met (His-tagged recombinant human Met (Amino acids 974-ends), by baculovirus expression) and 5 &#956;M ATP in buffer solution (25 mM MOPS, pH 7.4, 5 mM MgCl2, 0.5 raM MnCl2, 100 &#956;M sodium orthovanadate, 0.01% Triton X-100, 1 mM DTT, 1% of DMSO1% (v/v)) was added, the solution was incubated for 20 min. The reaction mixture was removed by washing with 0.2 &#956;g/mL conjugated horseradish peroxidase (HRP) monoclonal antibody specific for phosphotyrosine (PY20) detecting phosphorylation of the substrate polymer. 1M phosphoric acid was added to terminate the color, the chromogenic substrate (TMB) was tested by spectrophotometry at 450 nm. 
1854	1	Enzyme Assay	Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the literature). To test for NOS inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES buffer (100 mM with 10% glycerol, pH 7.4) in the presence of 10 &#956;M L-arginine. Also included were 100 &#956;M NADPH, 0.83 mM CaCl2, approximately 320 units/mL of calmodulin, 10 &#956;M H4B, and human oxyhemoglobin (3 &#956;M). For iNOS, the CaCl2 and calmodulin were omitted and replaced with HEPES buffer (neither are required for activation of iNOS). The assay was performed in 96-well plates using a Synergy 4 BioTek hybrid reader. The dispensing of NOS enzyme and hemoglobin were automated, and after 30 sec (maximum delay), NO production was read by monitoring the absorbance at 401 nm (resulting from conversion of oxyhemoglobin to methemoglobin). Kinetic readouts were performed for 5 min. Each compound was assayed at least in duplicate, and six to nine concentrations (500 &#956;M-50 nM or 100 &#956;M-10 nM for eNOS and iNOS; 50 &#956;M to 5 nM for rat and human nNOS) were used to construct dose-response curves. IC50 values were calculated by non-linear regression (variable slope, four parameters) using GraphPad Prism software, and Ki values were obtained using the Cheng-Prusoff equation [Ki=IC50/(1+[S]/Km)] with the following Km values: 1.3 &#956;M (rat nNOS), 1.6 &#956;M (human nNOS), 8.2 &#956;M (murine macrophage iNOS), and 3.9 (human eNOS).
1856	1	Biochemical TR-FRET Assay	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 &#956;g/mL bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per &#956;l in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 &#956;l SF9 lysate per 15 &#956;l of diluted ROR&#947;-LBD.
1857	4	Kinase Assay (EGFR/L858R)	Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 &#956;L&#151;4× Test Compound or 100 nL 100× plus 2.4 &#956;L kinase buffer;2. 5 &#956;L&#151;2× Peptide/Kinase Mixture;3. 2.5 &#956;L&#151;4×ATP Solution;4. 30-second plate shake;5. 60-minute Kinase Reaction incubation at room temperature;6. 5 &#956;L&#151;Development Reagent Solution;7. 30-second plate shake;8. 60-minute Development Reaction incubation at room temperature;9. Read on fluorescence plate reader and analyze the data.Kinase-Specific Assay Conditions: The 2×EGFR (ErbB1) L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.2-3.36 ng EGFR (ErbB1) L858R and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
1857	1	Kinase Assay (EGFR)(T790M)(L858R)	Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 &#956;L&#151;4× Test Compound or 100 nL 100× plus 2.4 &#956;L kinase buffer;2. 5 &#956;L&#151;2× Peptide/Kinase Mixture;3. 2.5 &#956;L&#151;4×ATP Solution;4. 30-second plate shake;5. 60-minute Kinase Reaction incubation at room temperature;6. 5 &#956;L&#151;Development Reagent Solution;7. 30-second plate shake;8. 60-minute Development Reaction incubation at room temperature;9. Read on fluorescence plate reader and analyze the data.Kinase-Specific Assay Conditions: The 2×EGFR (ErbB1) T790M L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 0.36-2.96 ng EGFR (ErbB1) T790M L858R and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
1857	3	Kinase Assay (EGFR)(T790M)	Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 &#956;L&#151;4× Test Compound or 100 nL 100× plus 2.4 &#956;L kinase buffer;2. 5 &#956;L&#151;2× Peptide/Kinase Mixture;3. 2.5 &#956;L&#151;4×ATP Solution;4. 30-second plate shake;5. 60-minute Kinase Reaction incubation at room temperature;6. 5 &#956;L&#151;Development Reagent Solution;7. 30-second plate shake;8. 60-minute Development Reaction incubation at room temperature;9. Read on fluorescence plate reader and analyze the data.Kinase-Specific Assay Conditions: The 2×EGFR (ErbB1) T790M/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 3.9-34.8 ng EGFR (ErbB1) T790M and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
1857	2	Kinase Assay (EGFR)	Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 &#956;L&#151;4× Test Compound or 100 nL 100× plus 2.4 &#956;L kinase buffer;2. 5 &#956;L&#151;2× Peptide/Kinase Mixture;3. 2.5 &#956;L&#151;4×ATP Solution;4. 30-second plate shake;5. 60-minute Kinase Reaction incubation at room temperature;6. 5 &#956;L&#151;Development Reagent Solution;7. 30-second plate shake;8. 60-minute Development Reaction incubation at room temperature;9. Read on fluorescence plate reader and analyze the data.Kinase-Specific Assay Conditions: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 1.1-8 ng EGFR (ErbB1) and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
1857	5	Kinase Assay (ALK)	Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4 uL kinase buffer; 2. 5 uL-2x Peptide/Kinase Mixture; 3. 2.5 uL-4xATP Solution; 4. 30-second plate shake; 5. 60-minute Kinase Reaction incubation at room temperature; 6. 5 uL-Development Reagent Solution; 7. 30-second plate shake; 8. 60-minute Development Reaction incubation at room temperature; 9. Read on fluorescence plate reader and analyze the data. Kinase-Specific Assay Conditions:The 2xALK/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 uL Kinase Reaction consists of 4.25-96 ng ALK and 2 uM Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 uL of a 1:256 dilution of Development Reagent B is added.
1858	1	FLIPR Assay	Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well in growth medium [DMEM (Invitrogen #11965) with 10% HI FBS (Invitrogen #10082), 2 mM glutamine, 100 units/mL penicillin, 0.1 mg/mL streptomycin (PSG, Sigma #G1146), and 500 &#956;g/mL Geneticin (Invitrogen #10131)] in black-walled, clear-bottom 384-well poly-D-lysine-coated assay plates (Greiner Bio-One, Frickenhausen, Germany) and incubated in a humidified 5% CO2 incubator at 37° C. On the day of the assay, medium was removed by aspiration, and cells were washed with assay buffer [HBSS (Invitrogen, Carlsbad, Calif.) containing 20 mM HEPES (Invitrogen, Carlsbad, Calif.)]. After washing, 30 &#956;L assay buffer containing the fluorescent voltage-sensor probe CC2-DMPE (Invitrogen, Carlsbad, Calif.) at 20 &#956;M and 0.01% pluronic F-127 (Invitrogen, Carlsbad, Calif.) was added to the cells. Cells were incubated for 40 minutes at room temperature in the dark. Following the incubation, the cells were washed and 30 &#956;L assay buffer containing 2.5 &#956;M DiSBAC2(3) substrate (Invitrogen, Carlsbad, Calif.) and 0.5 mM VABSC-1 (Invitrogen, Carlsbad, Calif.) was added to the cells. The cells were incubated for 90 minutes at room temperature in the dark. Fluorescence readings were made using a FLIPR TETRA (Molecular Devices, Sunnyvale Calif.) equipped with voltage-sensor probe optics.
1858	2	FLIPR Assay	Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and plated at 22,500 cells/well in growth medium [MEM (Invitrogen #11095) with 10% FBS (Invitrogen #10082), 1 mM sodium pyruvate (Invitrogen, #C11360), 10 units/mL penicillin/10 U/mL streptomycin/29.2 &#956;g/mL glutamine ((PSG 1%, Invitrogen #10378), 400 &#956;g/mL zeocin (Invitrogen #R250) in black-walled, clear-bottom 384-well poly-D-lysine-coated assay plates (Greiner Bio-One, Frickenhausen, Germany) and incubated in a humidified 5% CO2 incubator at 37° C. On the day of the assay, medium was removed by aspiration, and cells were washed with assay buffer [HBSS (Invitrogen, Carlsbad, Calif.) containing 20 mM HEPES (Invitrogen, Carlsbad, Calif.)]. After washing, 30 &#956;L assay buffer containing the fluorescent voltage-sensor probe CC2-DMPE (Invitrogen, Carlsbad, Calif.) at 20 &#956;M and 0.01% pluronic F-127 (Invitrogen, Carlsbad, Calif.) was added to the cells. Cells were incubated for 40 minutes at room temperature in the dark. Following the incubation, the cells were washed and 30 &#956;L assay buffer containing 2.5 &#956;M DiSBAC2(3) substrate (Invitrogen, Carlsbad, Calif.) and 0.5 mM VABSC-1 (Invitrogen, Carlsbad, Calif.) was added to the cells. The cells were incubated for 60 minutes at room temperature in the dark. Fluorescence readings were made using a FLIPR TETRA (Molecular Devices, Sunnyvale Calif.) equipped with voltage-sensor probe optics. 
1861	1	Factor XIa Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and he synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 M.
1861	2	Kallikrein Assay	Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM.
1862	1	Kinase Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &#956;g/ml. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
1862	2	Kinase High ATP Assay 	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
1865	1	Inhibition Assay	The degree of inhibition activity for PTP1B was investigated by using 2 mM p-nitrophenyl phosphate (p-NPP) as a substrate to measure the dephosphorylation degree. First, PTP1B diluted with distilled water was reacted with 2 mM p-nitrophenyl phosphate {p-NPP, 0.1 M NaCl, 1 mM EDTA, 50 mM citrate pH 6.0, and 1 mM dithiothreitol (DTT)} and Compound 1 at various concentrations at 30° C. for 30 minutes, and then the reaction was terminated with a 1 N-sodium hydroxide (NaOH) solution. The absorbance of the samples thus prepared was measured to confirm the inhibition degree (IC50: The half maximal inhibitory concentration) for PTP1B activity according to the concentration of Compound 1.
1867	1	Enzyme Inhibition	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) is then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
1867	2	Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1867	3	Enzyme Inhibition	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1871	1	Fluorescence Polarization Assay (FPA)	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of N-His-Tb-BIR3 (241-356, XIAP), fluoresceinated modified SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes and fluorescence polarization of the reaction was detected on the LJL Plate Reader. Inhibition data were calculated from mP values generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 130 nM N-His-Tb-BIR3 (241-356, XIAP), 1.4 nM fluoresceinated modified SMAC peptide, and 1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of polarization activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1871	3	AlphaScreen Assay	Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 &#956;L prepared from additions of His-BIR2 (124-240/C202A/C213G), Biotinylated SMAC peptide, and test compounds in assay buffer consisting of 25 mM Hepes, 100 mM NaCl, 0.1% BSA, and 5 mM CaCl2. The reaction was incubated at room temperature for 60 minutes. After 60 minutes, 2.5 &#956;L of AlphaScreen detection reagent (Perkin Elmer) was added to the reaction mixture and incubated at room temperature in the dark for 120 minutes. The AlphaScreen signal generated by the reaction was detected on the Envision Plate Reader Inhibition data were calculated from an AlphaScreen signal generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 50 nM His-BIR2(124-240/C202A/C213G), 50 nMBiotinylated SMAC peptide, 4 &#956;g/mL AlphaScreen detection reagents, and 0.5% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
1871	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of His-BIR3 (241-356, XIAP), fluorescein labeled SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, 50 &#956;g/ml BSA, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &#956;l of mouse anti-6× His-terbium labeled Fab (Medarex, Cis-bio) was added to the reaction (40 &#956;l) for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 1 nM N-His-BIR3(241-356, XIAP), 5 nM fluorescein labeled SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the HTRF signal (IC50). Compounds were dissolved at 3 mM in dimethylsulfoxide (DMSO) and evaluated at eleven serially diluted concentrations. 
1871	4	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 &#956;L prepared from additions of His-BIR2-3 (125-356, C202A/C213G, XIAP), fluorescein labeled dimeric SMAC peptide, and test compounds in assay buffer consisting of 20 mM Sodium Phosphate, 1 mM EDTA, 50 mM NaCl, 50 &#956;g/ml BSA, and 0.05% PLURONIC F68. The reaction was incubated at room temperature for 60 minutes, following which 10 &#956;l of mouse anti-6× His-Tb IgG (Medarex, Cis-bio) was added to the reaction (40 &#956;l) for an additional 30 minute incubation. The HTRF signal, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (615 nm), the 520/615 ratio, generated by the reaction was then measured on the Envision Plate Reader Inhibition data were calculated from the 520/615 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay was 0.5 nM N-His-BIR2-3(125-356, C202A/C213G, XIAP), 20 nM fluorescein labeled dimeric SMAC peptide, 0.25 nM anti-His-Tb-Fab, and 0.1% DMSO. Dose response curves were generated to determine the concentration required for inhibiting 50% of the HTRF signal (IC50). Compounds were dissolved at 3 mM in dimethylsulfoxide (DMSO) and evaluated at eleven serially diluted concentrations.
1852	1	Inhibition Assay	The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymatic activity using the fluorogenic substrate, Boc-Lys(Tfa)-AMC. The substrate is deacetylated to Boc-Lys-AMC by HDAC4. Cleavage by trypsin results in the release of the fluorophore AMC from the deacetylated substrate. The fluorescence of the sample is directly related to the histone deacetylase activity in the sample.Serially dilute HDAC inhibitor compounds. Serial dilutions of the HDAC inhibitors and control reference compound (1-(5-(3-((4-(1,3,4-oxadiazol-2-yl)phenoxy)methyl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2,2,2-trifluoroethanone) are made by first resuspending the lyophilized compound to a final concentration of 10 mM in 100% dimethyl sulfoxide (DMSO). Stocks of 6 &#956;l aliquots of the 10 mM compound in DMSO are prepared and stored at &#8722;2° C. 
1855	1	Electrophysiology Assays	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the  current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections. The results of these experiments contributed to the definition of the efficacy profile of the compounds.
1872	1	Lactate Transport in MCT4-Expressing MDA-MB-453 Breast Cancer Cells	MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring the intracellular pH change that accompanies lactate/proton symport, using the pH-sensitive fluorescent dye 2&#8242;,7&#8242;-bis-(carboxyethyl)-5(6)-carboxyfluorescein (BCECF), in a manner similar to that previously reported for MCT1 and MCT4. The following is an exemplary procedure for assaying MCT4 activity of the compounds of Formula (I). 2.5 &#956;L BCECF-loaded cells, along with either 10 &#956;L DMSO or 100×compound in DMSO, are added to 937.5 &#956;L of Tyrode&#39;s Solution in a quartz 1.0 mL cuvette (PerkinElmer, B0631116). Fluorescence measurements are performed on a PerkinElmer LS55 fluorescence spectrometer with dual excitation wavelengths achieved using a filter wheel (FL Winlab program: Fast Filter; Excitation 490/440; Emission 535). After establishing baseline BCECF fluorescence (around 10-20 s), 50 &#956;L of 1 M sodium L-lactate (Sigma-Aldrich) is added to the cuvette (final concentration: 50 mM) and rapidly mixed. The time-dependent decrease in BCECF fluorescence (490/440 ratio) may be fit to an exponential decay curve (Prism GraphPad) to determine the rate of lactate transport. 
1872	2	Assay 2: MCT4-Mediated Lactate Transport in NCI-H358 Lung Adenocarcinoma Cells	NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
1872	3	Assay 4: MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells	MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those with skill in the art. Preparation of BCECF loaded cells are as described for Assay 1. Lactate transport assay is as described for Assay 1, except 10 mM L-lactate (rather than 50 mM) is added.
1872	4	Assay 3: MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells	MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
1873	1	KDM2B TR-FRET Assay	Full length KDM2B was cloned, expressed, and purified to homogeneity. Compound inhibition of KDM2B demethylase activity was assessed by monitoring the methylation status of a biotin-H3K36me2 peptide substrate (H2N-RKSAPATGGV(KMe2)KPHRYRPGTV-NTPEGBiot; New England Peptide) in the presence of &#945;-keotglutarate (2-OG) and iron (Fe2+) using the TR-FRET assay technology (Cisbio). Specifically, in a 384 well ProxiPlate KDM2B (5 mM final), ascorbate (500 &#956;M final) and DTT (2 mM final) were combined with the biotin-H3K36me2 peptide substrate (200 nM final), 2-OG (0.3 &#956;M or 6 &#956;M final; Sigma K2010) and Fe2+ (100 &#956;M final; Sigma F1543) in 50 mM HEPES (pH 6.5) and 0.01% Triton-X 100 either in the presence of DMSO (final 0.25% DMSO) or compound dilution series in DMSO and mixed. After a two hour incubation at room temperature, a mixture of EU-anti-H3K36mel antibody (2 nM final; Cisbio #64CUSKAZ), and Streptavidin-d2 (50 nM final; Cisbio #64CUS000) in 200 mM KF, 200 mM EDTA, 0.1% BSA and 50 mM HEPES (pH 6.5) was added. After 1 hour incubation, the plates were read on an Envision instrument, the readouts were transformed into % inhibition, and IC50 values were generated using a four parameter logistic model (XLFIT5). The KDM2B TR-FRET Assay described above represents an additional embodiment of the invention.
1875	1	In Vitro Enzyme Inhibition Assay-CREBBP Inhibition	Determination of the IC50 for the CREBBP inhibitors disclosed herein was performed as follows: CREBBP was cloned and expressed in E. Coli as His-tag protein and purified by Nickel affinity and gel-filtration chromatography. The protein was further characterized as a single band with the correct molecular weight by SDS-PAGE. CREBBP binding and inhibition was assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Perkin Elmer). In a 384-well ProxiPlate CREBBP (50 nM final) was combined with peptide (20 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20-minute incubation at room temperature, Alpha streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After two hours of equilibration, plates were read on an Envision instrument and the IC50 was calculated using a four parameter non-linear curve fit.The ability of the compounds disclosed herein to inhibit CBP activity was quantified and the respective IC50 value was determined. 
1875	2	In Vitro Enzyme Inhibition Assay-BRD4 Inhibition	Inhibition of BRD4 was determined as previously described in U.S. Pat. No. 9,034,900.
1876	1	LTA4 hydrolase assay	LTB4 formed was quantified with the HTRF assay in which free LTB4 competes with LTB4-XL665 conjugate (acceptor) for anti-LTB4 monoclonal antibody labeled with Europium cryptate (donor), thereby inhibiting the fluorescence energy transfer.The LTB4 HTRF 384-well assay was carried out by incubating LTB4 samples or standards with LTB4-XL665 conjugate (7.5 ng/well) and anti-LTB4 monoclonal antibody-Europium cryptate conjugate (0.5 ng/well) in 50 mM phosphate, 0.4 M KF and 0.1% casein, buffer (pH 7.0) for two hours at ambient temperature. Plates were read in a RubyStar plate reader (BmG Labtechnologies Inc., NC) simultaneously at 620 nm and 665 nm to obtain signal ratios of 665 nm/620 nm. Results of energy transfer were expressed as delta F (%) which equaled [(signal ratio of sample&#8722;signal ratio of negative control)/(signal ratio of negative control)]×100%. Negative controls were control samples without LTB4 or LTB4-XL665.
1876	2	Peptidase Assay	In brief, the enzyme (29 nM) was incubated with L-alanine-p-nitroanilide (1 mM) in 50 mM HEPES (pH 7.5), 100 mM KCL, 1% DMSO in the absence or presence of a compound of the invention for 1 hour at ambient temperature. Reaction was terminated by addition of acetic acid (1%). Formation of colored nitro-aniline was measured by the increase in absorbance at 405 nm in a Victor 2 plate reader (Wallac). Spontaneous hydrolysis of the substrate was corrected for by subtracting the absorbance of control incubations without enzyme.In embodiments, the compounds of the invention, when tested in this assay, demonstrated the ability to inhibit peptidase activity at IC50 values of less than 100 &#956;M, in some embodiments less than 1 &#956;M, in some embodiments less than 100 nM, in some embodiments less than 75 nM, in some embodiments less than 50 nM, in some embodiments less than 25 nM, in some embodiments less than 10 nM, in some embodiments less than 5 nM.
1879	1	RET Wild Type Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKD DIYFFFG-NH2) and 25 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction is stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate is then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data is normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
1879	2	RET V804L Gatekeeper Mutant Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKDDIYFFFG-NH2) and 10 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction is stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate is then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data is normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
1881	1	Huh 7.5.1 ATPlite assay 	This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity using the Huh 7.5.1 ATPlite assay for compounds in accordance with an embodiment of the invention.
1882	1	In Vitro Assay	The assay is using the PathHunter CHO-K1 CXCR7 &#946;-arrestin cell line from DiscoverX. The system is based on the Enzyme Fragment Complementation Technology. Two complementing fragments of the &#946;-galactosidase enzyme are expressed within stably transfected cells. The larger portion of &#946;-gal, termed EA for Enzyme Acceptor, is fused to the C-terminus of b-arrestin 2. The smaller fragment, termed ProLink tag, is fused to CXCR7 at the C-terminus. Upon activation, b-arrestin is recruited which forces the interaction of ProLink and EA, allowing complementation of the two fragments of b-gal and the formation of a functional enzyme which is capable of hydrolysing the substrate and generating a chemiluminescent signal. CHO-K1 CXCR7 &#946;-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medium (F12 HAMS 90% (v/v)/FCS 10% (v/v), Penicillin/streptomycin 1% (v/v)). 5000 cells per well (in 20 &#956;l) are seeded in a 384 well plate (white-walled, clear bottom; BD Falcon #353274). The plate is incubated at 37° C./5% CO2 for 24 hours. Medium is then replaced by 20 &#956;l OPTIMEM (Invitrogen #31985) for 3 to 4 hours. Test compounds are dissolved at 10 mM in DMSO and serially diluted in DMSO to 200× of the final concentration for dose response curves. Compounds are then diluted 1:33.3 in HBSS1X. 5 &#956;l/well of HBSS1X/20 mM HEPES/0.2% BSA are added to the assay plate followed by addition of 5 &#956;l/well of diluted compounds. CXCL12 (Peprotech #300-28A) may be used as a reference agonist. The plate is incubated for 90 minutes at 37° C. 12 &#956;l of detection reagent (Path Hunter Detection Kit, DiscoveRx, #93-0001) is transferred to the assay plate and to the plate is incubated for 1 hour at room temperature. Luminescent signal is read in a microplate reader (FLUOstar Optima, bmg). The calculated EC50 values may fluctuate depending on the daily cellular assay performance. Fluctuations of this kind are known to those skilled in the art. Average EC50 values from several measurements are given as geometric mean values.
1883	1	Intracellular Calcium Measurement to Assess Antagonist Activity 	A fluorescent imaging plate reader (FLEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelating dye Fluo-4 (Molecular Probes). The excitation and emission wavelengths used to monitor fluorescence were 470-495 nm and 515-575 nm, respectively. Cells expressing purinergic receptors P2X3 (human) or P2X2/3 (human) were plated at a density of 15,000 cells/well in collagen-coated 384-well plates approximately 20 hours before beginning the assay. On the day of the assay, 20 &#956;l of loading buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, 2 &#956;M Fluo-4, and 5 units/mL, hexokinase, pH=7.4) was added and cells dye-loaded for 90 min at 37° C. The dye supernatant was removed and replaced with 45 &#956;l probenecid buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, pH=7.4). The test compound was added in a volume of 5 &#956;l and allowed to incubate for 30 min at 37° C. The final assay DMSO concentration is 1%.The agonist, &#945;,&#946;-Me-ATP, was added in a volume of 20 &#956;l at a concentration representing the EC80 value. The fluorescence was measured for an interval of 90 sec at 2 sec intervals and analyzed based on the increase in peak relative fluorescence units (RFU) compared to the basal fluorescence. Peak fluorescence was used to determine the response to agonist obtained at each concentration of test compound by the following equation: % Response=100*(RFU(test compound)&#8722;RFU(control))/(RFU(DMSO)&#8722;RFU(control)).
1883	2	CYP Inhibition Assay	Human liver microsomes (pooled, >30 male and female donors) were incubated with individual CYP isoform-selective standard probes (phenacetin for CYP1A2, amodiquine for CYP2C8, diclofenac for CYP2C9, dextromethorphan for CYP2D6 and midazolam for CYP3A4) in the absence and presence of increasing concentrations of the test compound in order to compare the extent of formation of the respective metabolite. In addition, a set of incubation in the absence of test compound was used as a negative control. Furthermore, the inhibitory potency of standard inhibitors was included as positive controls (fluvoxamine for CYP1A2, montelukast for CYP2C8, sulfaphenazole for CYP2C9, fluoxetine for CYP2D6, ketoconazole for CYP3A4 and mibefradil for CYP3A4-preincubation). Incubation conditions (protein and probe substrate concentration, incubation time) were optimised with regard to linearity and metabolite turnover. Incubation medium consisted of 50 mM potassium phosphate buffer (pH 7.4) containing 1 mM EDTA, NADPH regenerating system (1 mM NADP, 5 mM glucose 6-phosphate, glucose 6-phosphate dehydrogenase (1.5 U/mL). Sequential dilutions and incubations were performed on a Genesis Workstation (Tecan, Crailsheim, FRG) in 96-well plates at 37° C. A final incubation volume of 200 &#956;L was used. Reactions were stopped by addition of 100 &#956;L acetonitrile containing the respective internal standard. Precipitated proteins were removed by centrifugation of the well plate, supernatants were combined and analyses were performed by LC-MS/MS. The LC-MS/MS quantification of the metabolites paracetamol (CYP1A2), desethylamodiaquine (CYP2C8), 4-hydroxydiclofenac (CYP2C9), dextrorphan (CYP2D6), and 1-hydroxymidazolam (CYP3A4) was performed with a PE SCIEX API 3000 LC/MS/MS system (Applied Biosystems, MDS Sciex, Concord, Ontario, Canada).
1884	1	In Vitro TK Inhibition Assay	Colorimetric cell proliferation and viability assay (reagent CellTiter-Blue purchased from Promega cat N°G8081) was performed on BaF3 Kit WT cell line.A total of 2.104 cells/50 &#956;l were seeded per well of a 96-wells plate. Treatment was initiated by addition of a 2× drug solution of serial dilutions ranging from 0 to 10 &#956;M. After incubating for 48 hours at 37° C., 10 &#956;l of a dilution of CellTiter-Blue reagent was added to each well and the plates were returned to the incubator for an additional 4 hours. The fluorescence intensity from the CellTiter-Blue reagent is proportional to the number of viable cells and data were recorded (544Ex/590Em) using a POLARstar OMEGA microplate reader (BMG LabteckSarl). A background control without cells was used as a blank. The positive control of the assay corresponds to the cell proliferation obtained in the absence of drug treatment (100% proliferation). Each sample was done in triplicate. The results were expressed as a percentage of the proliferation obtained in absence of treatment. All drugs were prepared as 20 mM stock solutions in DMSO and conserved at &#8722;80° C. Drug dilutions were made fresh in medium before each experiment. A DMSO control was included in each experiment.
1885	1	Biochemical Assays for PI3Kalpha, PI3Kbeta	The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Switzerland. (L-alpha-phosphatidylinositol (PI), Liver, Bovine) were obtained from Avanti Polar Lipid (Cat. No. 840042C, Lot#LPI-274), Phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2(Avanti, Cat. No. 840046X) or L-&#945;-phosphatidylinositol (PI) was obtained from Avanti Polar Lipid (Cat. No. 840042C, Lot#LPI-274). L-&#945;-Phosphatidylserine (PS) was from Avanti Polar Lipid (Cat. No. 840032C), n-Octylglucoside Avanti Polar Lipid (Cat. No. 10634425001). Luminescence is a well established readout to determine ATP concentrations and can thus be used to follow the activity of many kinases regardless of their substrate. The Kinase Glo Luminescent Kinase Assay (Promega, Madison/WI, USA) is a homogeneous HTS method of measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction.50 nL of compound dilutions were dispensed onto black 384-well low volume Non Binding Styrene (NBS) plates (Costar Cat. No. NBS#3676) as described in section 8.2. L-&#945;-phosphatidylinositol (PI), provided as 10 mg/ml solution in methanol, was transferred into a glass tube and dried under nitrogen beam. It was then resuspended in 3% OctylGlucoside by vortexing and stored at 4° C. 5 &#956;L of a mix of PI/OG with the PI3Ka and Pi3Kb subtypes were added. Kinase reactions were started by addition of 5 &#956;l of ATP-mix containing in a final volume 10 &#956;L 10 mM TRIS-HCl pH 7.5, 3 mM MgCl2, 50 mM NaCl, 0.05% CHAPS, 1 mM DTT and 1 &#956;M ATP, and occurred at room temperature. Reactions were stopped with 10 &#956;l of KinaseGlo and plates were read 10 mins later in a Synergy2 reader using an integration time of 0.1 seconds per well. 2.5 &#956;M of NVP-BGT226 (standard) was added to the assay plates to generate the 100% inhibition of the kinase reaction, and the 0% inhibition was given by the solvent vehicle (90% DMSO in water). NVP-BGT226 was used as a reference compound and included in all assay plates in the form of 16 dilution points in duplicate.IC50 values of the percentage inhibition of each compound at 8 concentrations (usually 10, 3.0, 1.0, 0.3, 0.1, 0.030, 0.010 and 0.003 &#956;M) n=2 were derived by fitting a sigmoidal dose-response curve to a plot of assay readout over inhibitor concentration as described. All fits were performed with the program XLfit4 (ID Business Solutions, Guildford, UK).
1885	3	Biochemical Assay for mTOR	TR-FRET assays for protein kinases uses a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference by compound autofluorescence or light scatter from precipitated compounds, by introducing a delay after excitation by a flashlamp excitation source. Results are often expressed as a ratio of the intensities of the acceptor and donor fluorophores. The ratiometric nature of such a value corrects for differences in assay volumes between wells, as well as corrects for quenching effects due to colored compounds.Binding Assays are based on the binding and displacement of an Alexa Fluor 647-labeled, ATP-competitive kinase inhibitors to the kinase of interest. Invitrogen&#39;s &#147;Kinase Tracers&#148; have been developed to address a wide range of kinase targets and are based on ATP-competitive kinase inhibitors, making them suitable for detection of any compounds that bind to the ATP site or to an allosteric site altering the conformation of the ATP site. Inhibitors that bind the ATP site include both Type I kinase inhibitors, which bind solely to the ATP site, and Type II inhibitors (e.g., Gleevec/Imatinib, Sorafenib, BIRB-796), which bind to both the ATP site and a hydrophobic site exposed in the DFG-out (non-active) conformation. Type III inhibitors are compounds that do not compete with ATP are loosely referred to as allosteric inhibitors. A study of 15 diverse Type III inhibitors demonstrated that all but one compound was detected in the binding assay with equivalent potency to activity assays. The sole exception was a substrate-competitive compound, and thus not a true allosteric inhibitor.In contrast to most fluorescence-based kinase activity assays, LanthaScreen Eu3+ Kinase Binding Assays can be read continuously, which facilitates evaluation of compounds with slow binding kinetics. Also, unlike most activity assays, binding assays can be performed using either active or non-activated kinase preparations, which enables characterization of compounds that bind preferentially to non-activated kinases, such as Gleevec /imatinib and some allosteric inhibitors.In the Lanthascreen&#153; kinase binding assay, the donor (Eu3+-anti-GST antibody) is excited at 340 nm and will transfer its energy to the acceptor (Alexa Fluor 647-labeled ATP-competitive kinase inhibitor=Tracer-314). The emission from the Tracer-314 (Alexa Fluor 647 inhibitor) can be monitored with a filter centered at 665 nm because it is located between the emission peaks of the donor, which is measured at 615/620 nm. The binding of both, the Tracer-314 and Eu3+-anti-GST antibody, to the kinase results in a high degree of FRET from the Eu3+-donor fluorophore to the Alexa-Fluor 647-acceptor fluorophore on the Tracer-314. Binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET.50 nL of compound dilutions were dispensed onto white 384-well small volume polystyrene plate as described in section 2.2. Then 5 &#956;L of GST-mTOR and Europium-anti-GST antibody followed by 5 &#956;L of tracer-314 (final assay volume 10 &#956;L) are incubated at RT. The standard reaction buffer for the Lanthascreen&#153; kinase binding assay contained 50 mM HEPES pH 7.5, 5 mM MgCl2, 1 mM EGTA, 0.01% Pluronic F-127. Plates are read 60 mins later in a Synergy2 reader using an integration time of 0.2 microseconds and a delay of 0.1 microseconds.To calculate the emission ratio, the signal emitted at 665 nm from the acceptor (Alexa Fluor 647-labeled Tracer-314) is divided by the signal emitted at 620 nm from the donor (Eu3+ anti-GST antibody)Control for the 0% inhibition was given by the solvent vehicle of the compounds (90% DMSO in H2O). Control for the relative 100% inhibition was performed by adding 10 &#956;M in the mix containing GST-mTOR and Europium anti-GST antibody. An additional control for the absolute 0% inhibition is given by Eu3+ anti-GST antibody without GST-mTOR.
1886	1	Human VPS34 Enzyme Assay	100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitrogen Assay Buffer Q (diluted 1 in 5 with nanopure water) plus 2 mM DTT and 2 mM MnCl2) containing ATP (20 uM, Promega) and 200 uM PI-PS substrate (Invitrogen PV5122) is added followed immediately by 5 ul VPS34 reaction buffer (as above) containing VPS34 (5 nM, Millennium Protein Sciences Group) and the mixture is incubated with shaking at room temperature for 1 hour. Then 5 ul VPS34 stop-detect mix (as per Invitrogen Adapta Assay kit (PV5009) instructions (contains kinase quench buffer, TR-FRET buffer, Adapta Eu anti-ADP antibody and Alexa Fluor 647 ADP tracer)) is added to quench the reaction. The plates are then incubated for 30 minutes at room temperature with shaking and then read on a BMG PheraStar Plus reader.For the assay methods described above, test compound percent inhibition, at various concentrations, is calculated relative to control (DMSO and EDTA) treated samples. Compound concentration versus percent inhibition curves are fitted to generate IC50 values. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
1888	1	Dual-Cell beta-Catenin Reporter Assay	Mouse L cells transfected to constitutively produce biologically active murine Wnt-3a, referred to as L-Wnt cells, were purchased from the American Type Culture Collection, ATCC, Manassas, Va. (ATCC). These cells were cultured in DMEM supplemented with 10% FCS (Gibco/Invitrogen, Carlsbad, Calif.), 1% geneticin and 1% sodium pyruvate (Sigma) at 37° C. with 5% CO2. The cells were seeded into 96 well plates and treated with serial dilutions of compound diluted to 0.1% DMSO concentration. After 24 hours, cell supernatants were transferred to a 96 well plate previously seeded with Leading Light Wnt Reporter Cells, stably transfected with a luciferase gene under control of Wnt pathway response elements. After a further 24 hours, cells are treated with One-glo luciferase assay system (Promega, Madison, Wis.) and the luminescent signal read by envision. The IC50 of the compound is determined as the concentration that reduces the induced luciferase signal to 50% of the DMSO control.
1897	1	The screening assay for Wnt activity	The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., colon cancer) or primary cells (e.g., IEC-6 intestinal cells) with a lentiviral construct that includes a Wnt-responsive promoter driving expression of the firefly luciferase gene.SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/ml of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. For Sp5-Luc reporter gene assays, the cells were plated at 10,000 cells/well in 96-well plates with growth medium containing 10% fetal calf serum and incubated overnight at 37° C. and 5% CO2. Each compound was dissolved in DMSO as a 10 mM stock in standard j-vials and used to prepare compound source plates in dose-response format with 3-fold serial dilutions and a 10 mM top concentration. Compound transfer from serially diluted source plates to assay plates containing the cells was accomplished using a pintool (Multimek 96, Beckman equipped with V&P Scientific FP1S50H pins) based liquid handling protocol. This protocol used a slotted pin to transfer 50 nl of compound from a source plate well to an assay plate well containing 50 &#956;l of cells in growth medium. The 1000-fold dilution resulted in a final DMSO concentration of 0.1% on the cells in each well. Control wells received 50 nl of DMSO treatment for normalization and calculating IC50 values. The treated cells were incubated at 37° C. and 5% CO2 for an additional forty-two hours. Following incubation, the growth medium was removed and 50 &#956;l of BrightGlo luminescence reagent (Promega) was added to each well of the 96-well assay plates. The plates were placed on an orbital shaker for 5 min and then luminescence was quantified on the Victor3 (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for IC50 calculations using the dose-response log (inhibitor) vs. response-variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 or 6.0. 
1897	2	TGF-beta 1 Assay	Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point dose-response curves from 10 &#956;M to 1.87 nM) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well clear bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. LL29 cells were plated at 1,500 cells/well in 80 &#956;l/well F12 medium supplemented with 1% Fetal Bovine Serum. One hour after addition of the cells, TGF-&#946;1 (Peprotech; 20 ng/mL) was added to the plates to induce fibrosis (ref. 1 and 2 above). Wells treated with TGF-&#946;1 and containing DMSO were used as controls. Cells were incubated at 37° C. and 5% CO2 for 4 days. Following incubation for 4 days, SYTOX green nucleic acid stain (Life Technologies [Thermo Fisher Scientific]) was added to the wells at a final concentration of 1 uM and incubated at room temperature for 30 min. Cells were then fixed using 4% formaldehyde (Electron Microscopy Sciences), washed 3 times with PBS followed by blocking and permeabilization using 3% Bovine Serum Albumin (BSA; Sigma) and 0.3% Triton X-100 (Sigma) in PBS. Cells were then stained with antibody specific to &#945;-smooth muscle actin (aSMA; Abcam) (ref. 1 and 2 above) in 3% Bovine Serum Albumin (BSA; Sigma) and 0.3% Triton X-100 (Sigma) in PBS, and incubated overnight at 4° C. Cells were then washed 3 times with PBS, followed by incubation with Alexa Flor-647 conjugated secondary antibody (Life Technologies [Thermo Fisher Scientific]) and DAPI at room temperature for 1 hour. Cells were then washed 3 times with PBS and plates were sealed for imaging. &#945;SMA staining was imaged by excitation at 630 nm and emission at 665 nm and quantified using the Compartmental Analysis program on the CellInsight CX5 (Thermo Scientific). Dead or apoptotic cells were excluded from analysis based on positive SYTOX green staining. % of total cells positive for &#945;SMA were counted in each well and normalized to the average of 11 wells treated with TGF-&#946;1 on the same plate using Dotmatics&#39; Studies Software. The normalized averages (fold change over untreated) of 3 replicate wells for each compound concentration were used to create dose-responses curves and EC50 values were calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software. 
1899	1	AF1-BD2 TR-FRET Binding Assay	His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1000 with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, TAF1-BD2 (0.012 uM final) in 50 mM HEPES (pH 7.5; final), 50 mM NaCl (final), 1 mM TCEP (final), 0.1 mg/mL BSA (final), and 0.069 mM Brij-35 (final) was added either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After a 10 minute incubation at room temperature, biotin-ligand (0.04 uM final) was added. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer AD0110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to a final concentration of 0.2 nM antibody and 0.025 uM SA-APC, respectively. After forty minutes of equilibration at room temperature, the plates were read on an Envision instrument and IC50s calculated using a four parameter logistic model (XLFIT). Compound 1000 and the TAF1-BD2 TR-FRET Binding Assay described above represent additional embodiments of the invention.
1899	2	TAF1-BD1 TR-FRET Binding Assay	His/Flag epitope tagged TAF1-BD11381-1497 was cloned, expressed, and purified to homogeneity. TAF1-BD binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound 1000 with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, TAF1-BDI (0.08 uM final) in 50 mM HEPES (pH 7.5; final), 50 mM NaCl (final), 1 mM TCEP (final), 0.1 mg/mL BSA (final), and 0.069 mM Brij-35 (final) was added either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After a 10 minute incubation at room temperature, biotin-ligand (0.08 uM final) was added. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer ADO 110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to final concentrations of 0.2 nM antibody and 0.05 uM SA-APC, respectively. After forty minutes of equilibration at room temperature, the plates were read on an Envision instrument and IC50s calculated using a four parameter logistic model (XLFIT). The TAF1-BD1 TR-FRET Binding Assay described above represents an additional embodiment of the invention.
1901	1	CPE Inhibitory Effect Confirming Assay	A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (50 &#956;L/well) was prepared. Two plates, one for measuring anti-Flu activity and the another for measuring cytotoxity, were prepared. Each assay was performed triplicate for each drug.At the use of MDCK cells, Trypsin was added to the cells to be a final concentration of 3 &#956;g/mL only for measuring anti-Flu activity.
1902	1	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate-format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH 7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
1904	1	DPP-IV assay	50 &#956;l substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 &#956;M, were placed in black microtitre plates. 20 &#956;l of assay buffer (final concentrations 50 mM Tris HCl pH 7.8, 50 mM NaCl, 1% DMSO) was pipetted in. The reaction was started by adding 30 &#956;l of solubilised Caco-2 protein (final concentration 0.14 &#956;g of protein per well). The test substances to be investigated were typically added prediluted in 20 &#956;l, and the volume of assay buffer was then reduced accordingly. The reaction was carried out at ambient temperature, incubating for 60 minutes. Then the fluorescence was measured in a Victor 1420 Multilabel Counter, the excitation wavelength being 405 nm and the emission wavelength being 535 nm. Blank readings (corresponding to 0% activity) were obtained in mixtures without any Caco-2 protein (volume replaced by assay buffer), control values (corresponding to 100% activity) were obtained in mixtures with no substance added. The potency of the test substances in question, expressed as IC50 values, was calculated from dosage/activity curves consisting of 11 measuring points in each case.
1905	1	IDO1 Enzymatic Assay	The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temperature in this disclosure. Human recombinant IDO1 (BPS Bioscience) was added so that its concentration was 200 nm in the reaction buffer solution (200 &#956;L). The solution also contained 500 nM tryptophan, ascorbic acid (20 mM), methylene blue (10 &#956;M), 126ydroxyl peroxidase (10 g/mL) and sodium phosphate buffer solution Ph 6.5 (100 mM). 10 &#956;L test compound solution was added into the above reaction solution (200 &#956;L), so that the final concentration of DMSO in all reaction wells was 0.5%. % concentration was volume %. After 80 min incubation of the reaction solution, the UV absorbance was measured using TECAN Infinite M1000 plate reader. For the negative control (blank), 10 &#956;l of the assay buffer was added instead of the IDO1All reagents (excluding human recombinant IDO1) were purchased from Sigma Aldrich, MO, USA.The percent activity in the presence of each compound was calculated according to the following equation: % activity=[(A&#8722;Ab)/(At&#8722;Ab)]×100, where A=the absorption signal in the presence of the compound, Ab=the absorption signal of blank, At=the absorption signal in the absence of the compound. The percent inhibition was calculated according to the following equation: % inhibition=100&#8722;% activity. The IC50 was calculated using non-linear regression in Graph Pad Prism 4.
1905	2	TDO2 Enzymatic Assay	The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is correlated with the amount of N-formylkynurenine reaction product of TDO2. The compounds were diluted in 10% DMSO and 5 &#956;L of the dilution was added to a 100 &#956;L reaction so that the final concentration of DMSO is 0.5% in all of reactions. All of the reactions were conducted at room temperature. The 100 &#956;L reaction mixture in TDO2 Assay Buffer contains 50 nM TDO2, the indicated amount of the inhibitor, 200 &#956;M tryptophan, and the coupled reaction components. The reaction mixture incubated for 75 min prior to reading the UV absorption signal. For the negative control (blank), 5 &#956;l of the assay buffer was added instead of the TDO2.Absorption signals were measured using a Tecan Infinite M1000 plate reader. Binding experiments were performed in duplicate at each concentration. The percent activity in the presence of each compound was calculated according to the following equation: % activity=[(A&#8722;Ab)/(At&#8722;Ab)]×100, where A=the absorption signal in the presence of the compound, Ab=the absorption signal of blank, At=the absorption signal in the absence of the compound. The percent inhibition was calculated according to the following equation: % inhibition=100&#8722;% activity. The IC50 was calculated using non-linear regression in Graph Pad Prism 4.
1907	1	Ubiquitin Activating Enzyme (UAE) HTRF Assay	The UAE enzymatic reaction totals 50 &#956;L and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiquitin, 1 nM recombinant human UAE or mouse UAE. Compounds for this hUAE IC50 assay are tested at 10 point 3-fold dilution. The top concentration for this assay is 1 &#956;M. Each compound is ordered in duplicate on the same plate. The enzymatic reaction mixture is incubated for 90 minutes at room temperature (24 degrees C.) in a 384 well plate prior to termination with a stop solution (0.1 M HEPES/0.05% Tween20, 20 mmol EDTA, 410 mM KF, 0.5 nM Eu Cryptate anti-FLAG M2-K antibody (Cis-bio International), 8 ug/mL Anti-GST XL-APC (Prozyme)). After incubation for 120 minutes, quantification of the FRET is performed on the Pherostar (BMG).
1908	1	TBD	TBD
1909	1	DAAO Inhibitory Activity Assay	The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine dinucleotide (FAD) and D-alanine. The amount of H2O2 was determined by measuring the fluorescence generated on conversion of Amplex red (manufactured by Invitrogen Co.) into resorufin by the reaction of H2O2 with horseradish peroxidase (HRP). 4 &#956;L of 4% dimethyl sulfoxide (DMSO) buffer (50 mM sodium phosphate (pH 7.5), 0.02% CHAPS) solution of the test compound was added to 384-well black, low volume plate, a mixed solution (4 &#956;L) of recombinant human DAAO protein (15 nM), which had been expressed in Escherichia coli and purified, and 18 &#956;M FAD was added, and the mixture was incubated at room temperature for 15 min. After incubation, a mixed buffer (4 &#956;L) of 2.25 mM D-alanine, 1.5 U/mL HRP and 150 &#956;M Amplex red was added, the mixture was incubated at room temperature for 30 min, and the fluorescence (excitation wavelength 530 nm, fluorescence wavelength 590 nm) was measured using an Envision plate reader (manufactured by Perkin Elmer Co.). To cross-check the artificial inhibition of Amplex red conversion or the HRP activity inhibition of the test compound, the fluorescence was also measured under the conditions of 30 &#956;M H2O2 addition in the absence of DAAO. Taking the fluorescence value in the absence of the test compound as 100% and the fluorescence value in the absence of DAAO as 0%, the DAAO activity was regarded to have been inhibited when the fluorescence value decreased by 50% in the presence of the test compound, and the concentration of the test compound at that time was taken as the IC50 value (nM).
1913	1	HCV NS5B RdRp enzyme assay	An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal Biochem, 359: 106-111). The biotinylated oligo dT12 primer was captured on streptavidin-coupled imaging beads (GE, RPNQ0261) by mixing primer and beads in 1× buffer and incubating at room temperature for three hours. Unbound primer was removed after centrifugation. The primer-bound beads were resuspended in 3× reaction mix (20 mM Hepes buffer, pH 7.5, dT primer coupled beads, poly A template, 3H-UTP, and RNAse inhibitor (Promega N2515)). Compounds were serially diluted 1:3 in DMSO and aliquoted into assay plates. Equal volumes (5 &#956;L) of water, 3× reaction mix, and enzyme in 3× assay buffer (60 mM Hepes buffer, pH 7.5, 7.5 mM MgCl2, 7.5 mM KCl, 3 mM DTT, 0.03 mg/mL BSA, 6% glycerol) were added to the diluted compound on the assay plate. Final concentration of components in 384-well assay: 0.36 nM template, 15 nM primer, 0.29 &#956;M 3H-UTP (0.3 &#956;Ci), 1.6 U/&#956;L RNAse inhibitor, 7 nM NS5B enzyme, 0.01 mg/mL BSA, 1 mM DTT, and 0.33 &#956;g/&#956;L beads, 20 mM Hepes buffer, pH 7.5, 2.5 mM MgCl2, 2.5 mM KCl, and 0.1% DMSO.Reactions were allowed to proceed for 24 hours at 30° C. and terminated by the addition of 50 mM EDTA (5 &#956;L). After incubating for at least 15 minutes, plates were read on an Amersham LEADseeker multimodality imaging system.IC50 values for compounds were determined using ten different [I]. IC50 values were calculated from the inhibition using the four-parameter logistic formula y=A+((B&#8722;A)/(1+((C/x)^D))), where A and B denote minimal and maximal % inhibition, respectively, C is the IC50, D is hill slope and x represents compound concentration.
1914	1	Anti-HIV Activity	Previously, a series of two-fold dilution on test samples were carried out in a 96-well plate (50 &#956;L/well). Two plates were made for measuring anti-HIV activity and measuring cytotoxicity. For each agent, measurement in duplicate was carried out. An MT-4 cell suspension of 2.5×10^5/mL was dispensed at 100 &#956;L/well onto the 96-well plate containing the test samples. An HIV virus solution was dispensed at 50 &#956;L/well onto the 96-well plate containing the test samples and the cell. To the plate for measuring cytotoxicity, a culture solution was dispensed at 50 &#956;L/well. It was mixed by a plate mixer, and then incubated in a CO2 incubator for 4 days. The 96-well plate incubated for 4 days was observed with the naked eye and under a microscope, and it was confirmed that there is no problem with virus proliferation and inhibition in the wells of the positive control and the negative control. Thirty microliters of a MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) solution was dispensed to each well.A reaction was allowed to occur in a CO2 incubator for an hour. From each well, 150 &#956;L of the supernatant was removed such that cells are not sucked. One-hundred and fifty microliters of a cell lysis solution was added thereto, and then it was mixed well by a plate mixer until the whole cells are lysed. The mixed 96-well plates were measured by a microplate reader at two wavelengths, 560 nm/690 nm. Based on the following calculation formula, 50% HIV inhibition concentration (EC50) was calculated.
1916	1	HCV Polymerase Enzyme Assay	Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bacterial expression constructs encoding the approximately 65 kDa HCV genotype 1b NS5B protein were used to generate recombinant HCV polymerases (with a deletion of the 21 carboxy terminal amino acids). Both the wild-type genotype 1b protein and protein containing the S282T mutation were expressed and purified for use in the enzymatic activity assay.The enzymatic activity assay measured the inhibitory effect of increasing concentrations of test compound on the incorporation of &#945;-[33P]-labeled nucleotide into trichloroacetic acid-precipitable material. Recombinant polymerase and synthetic RNA template were combined in reaction buffer containing ribonucleoside triphosphates, &#945;-[33P]-labeled nucleotide and eight concentrations of test compound in three-fold dilutions. Reactions were incubated for two hours at 30° C.Reactions were terminated by the addition of ice-cold trichloroacetic acid and sodium pyrophosphate to promote precipitation of newly-synthesized ribonucleic acid. Precipitable material from the reactions was collected by filtration onto 96-well filter plates, washed extensively with water, and quantified by liquid scintillation.The inhibitory activity of test compounds was determined by fitting results to dose-response curves using XLfit software.
1917	1	Cytopathic Effect Assay with RSV A2 in MA-104	Test compounds were dissolved in DMSO and then prepared in eight half-log dilutions in MEM medium with 50 &#956;g/mL gentamicin and 2% FBS (MA-104 cells only). Each dilution was added to 5 wells of a 96-well plate with 80-100% MA-104 cells. Three wells of each dilution were infected with respiratory syncytial virus A2 (ATCC VR-1540) and two wells remained uninfected as toxicity controls. After maximum cytopathic effect (CPE) was observed microscopically in untreated virus control wells, plates were stained with neutral red dye for approximately 2 hours, then supernatant dye was removed and the incorporated dye was extracted in 50:50 Sorensen citrate buffer/ethanol and read on a spectrophotometer. Optical density values were normalized based on cell and virus controls, then the concentration of test compound required to inhibit CPE by 50% (EC50) was calculated by regression analysis. The reported EC50 value is the mean of at least two experiments.
1917	2	Cytopathic Effect Assay with RSV A2 in HEp-2 Cells	Test compounds were dissolved in DMSO and then prepared in eight half-log dilutions in MEM medium with 50 &#956;g/mL gentamicin and 2% FBS (MA-104 cells only). Each dilution was added to 5 wells of a 96-well plate with 80-100% HEp-2 cells. Three wells of each dilution were infected with respiratory syncytial virus A2 (ATCC VR-1540) and two wells remained uninfected as toxicity controls. After maximum cytopathic effect (CPE) was observed microscopically in untreated virus control wells, plates were stained with neutral red dye for approximately 2 hours, then supernatant dye was removed and the incorporated dye was extracted in 50:50 Sorensen citrate buffer/ethanol and read on a spectrophotometer. Optical density values were normalized based on cell and virus controls, then the concentration of test compound required to inhibit CPE by 50% (EC50) was calculated by regression analysis. The reported EC50 value is the mean of at least two experiments.
1920	1	n-Vitro Fluorescence Assay for Identification of Cathepsin D Inhibitors	In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent group (MCA=(7-methoxycoumarin-4-yl)acetyl) which is quenched by energy transfer from a Dpn (2,4 dinitrophenyl) group on the same molecule, in Greiner 384-well nb microtitre plates. Cleavage of the peptidic substrate by cathepsin D causes an increase in the fluorescence intensity. In order to determine the efficacy of substances, the time-dependent increase in the fluorescence intensity in the presence of the substance was compared with the time-dependent increase in fluorescence in the absence of substances. The reference substance used was pepstatin A (Sigma-Aldrich). The substrate used was MCA-GKPILFFRLK(Dnp)d-R NH2 (Enzo Life Sciences, Lor-rach). The enzyme employed was cathepsin D isolated from the human liver (Sigma-Aldrich) in a final concentration of 1.4 nM. The test was carried out in 100 mM sodium acetate buffer, 1.25% (v/v) of DMSO, 0.25% (w/v) of Chaps, pH 5.5. 2 &#956;l of each substance solution with serially diluted substance concentration were added to in each case 4 &#956;l of cathepsin D solution and incubated at room temperature for 10 min. The reaction was started by addition of 2 &#956;l of substrate solution (final concentration 5 &#956;M). After carrying out a starting-point fluorescence measurement (excitation wavelength 340 nm/emission wavelength 450 nm) using an Envision multilabel reader (Perkin Elmer), the reaction was incubated at room temperature for 60 min. The amount of peptide fragment cleaved off during the reaction time was subsequently measured by determination of the increase in the fluorescence intensity at 450 nm (excitation wavelength 340 nm).
1920	2	n-Vitro Fluorescence Assay for Identification of Renin-Inhibitory Activity	In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent group Edans (=(5-(aminoethyl)aminonaphthalenesulfonate) which is quenched by energy transfer from a Dabcyl (4&#8242;-dimethylaminoazobenzene-4-carboxylate) group on the same molecule, in Greiner 384-well microtitre plates. Cleavage of the peptidic substrate by renin causes an increase in the fluorescence intensity. In order to determine the efficacy of substances, the time-dependent increase in the fluorescence intensity in the presence of the substance was compared with the time-dependent increase in fluorescence in the absence of substances. The reference substance used was renin inhibitor 2 (Z-Arg-Arg-Pro-Phe-His-Sta-Ile-His N-Boc-Lys methyl ester Z) (Sigma-Aldrich). The substrate used was renin FRET substrate I (DABCYL-g-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr EDANS) (Anaspec, Fremont Calif.). The enzyme employed was recombinant human renin (Proteos, Kalamazoo, Mich.) in a final concentration of 10 nM. The test was carried out in 50 mM Mops buffer, 1.5% (v/v) of DMSO, 0.1% (w/v) of Igepal , pH 7.2, 0.5% (w/v) of BSA. 2 &#956;l of each substance solution with serially diluted substance concentration were added to in each case 4 &#956;l of renin solution and incubated at room temperature for 15 min. The reaction was started by addition of 4 &#956;l of substrate solution (final concentration 5 &#956;M). After carrying out a starting-point fluorescence measurement (excitation wavelength 340 nm/emission wavelength 495 nm) using an Envision multilabel reader (Perkin Elmer), the reaction was incubated at 37° C. for 60 min. The amount of peptide fragment cleaved off during the reaction time was subsequently measured by determination of the increase in the fluorescence intensity at 495 nm (excitation wavelength 340 nm).
1921	1	Radioligand Binding Assay	Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments test compounds, which are not labeled, compete with the binding side of a labeled ligand. The displacement of the labeled ligand by the test compound leads to a decreased signal.Procedure:For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.
1923	1	Enzyme Assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine (See: Sono, M., et al., 1980, J. Biol. Chem. 255, 1339-1345).
1924	1	Enzymatic Assay	Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a baculovirus expression system. GST-RET was purified using glutathione sepharose chromatography. The RET kinase enzymatic assay was performed in a total volume of 10 uL with increasing concentrations of RET kinase inhibitor as a singlet in a 384 well format as follows: RET inhibitor compound plates are prepared by adding 100 nL of RET inhibitor at different concentrations to a 384-well plate. 5 &#956;L/well of a 2× enzyme mix (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid); 1 mM CHAPS (3[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate); 0.1 mg/mL BSA (bovine serum albumin); 1 mM DTT (dithiothreitol); 0.2 nM RET kinase) was added to the 384-well plate and incubated for 30 minutes at 23° C. 5 &#956;L/well of a 2× substrate mix (50 mM HEPES; 1 mM CHAPS; 0.1 mg/mL BSA; 20 &#956;M adenosine triphosphate; 20 mM MgCl2 and 1 biotinylated peptide substrate) was added and incubated for 1 hour at 23° C. 10 &#956;L/well of 2× stop/detection mix (50 mM HEPES; 0.1% BSA; 800 mM Potassium Fluoride; 50 mM EDTA (Ethylenediaminetetraacetic acid); 200× dilution of Europium Cryptate labeled anti-phosphotyrosine antibody; 62.5 nM Streptavidin-XL665) incubated for 1 hour at 23° C. and read on a Homogenous Time-Resolved Fluorescence reader.
1927	1	In Vitro DGAT2 Assay 	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 &#956;L. To 14 of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 20 minutes. To this mixture, 10 &#956;L of hDGAT2 membrane fraction (0.01 mg/mL) diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock) was added. After this mixture was preincubated at room temperature for 2 hours, DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.).
1930	1	In Vitro Assay	Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay. 
1935	1	Inhibition Assay	Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombinant HDAC enzymes (BPS Bioscience, San Diego, Calif.) and fluorogenic HDAC assay kits (BPS Bioscience). Kinetic parameters were determined by performing HDAC activity assays at varied concentrations of the HDAC substrate according to the manufacturer&#39;s protocol. Assay data were analyzed via non-linear regression (GraphPad Software, Inc., CA). Inhibition assays were used to determine the half maximal inhibitory concentration, IC50, for tropolone analogs in HDAC8 and HDAC6. The potent hydroxamic acid HDAC inhibitor, Trichostatin A (TSA), provided in the assay kit, served as a control for the assays. IC50 values for the tropolone analogs were converted to inhibition constants, Ki, for each of the inhibitors using the KM value in accordance with the techniques previously described by Cheng and Prusoff. 
1937	1	Enzyme Inhibition	The following two assay variants can be used for determination of p38 MAPK&#945; inhibition.Method 1The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).Method 2This method follows the same steps as Method 1 above, but utilises a higher concentration of the p38 MAPK&#945; protein (2.5 &#956;L of 200 ng/mL protein instead of 2.5 &#956;L of 80 ng/mL protein) for mixing with the test compound (tested at either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL or 0.001 &#956;g/mL).
1937	3	Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1937	4	Enzyme Inhibition	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1938	1	Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M tris(2-carboxyethyl)phosphine) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer and pre-incubated with the compounds for 24 hours prior to addition of the substrate.
1939	1	Biochemical Assay	Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in triplicate. After leaving the enzyme interacting with the inhibitor, 12.5 &#956;M of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 1 hour at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 30 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor.
1944	1	Calcium Flux Assay	Compounds were tested in a calcium flux assay using transfected HEK293 cells stably expressing either human GPR40 or rat GPR40. Human GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum, 1×L-Glutamine, 1× Penicillin/Streptomycin and 500 &#956;g/mL G418. Rat GPR40 expressing cells were cultured in DMEM-High Glucose media supplemented with 10% fetal bovine serum and 1 &#956;g/mL puromycin. Cells were plated into poly-D-lysine coated 384-well plates and cultured overnight in a 37° C. humidified tissue culture incubator under 5% CO2/90% O2 atmosphere. On the day of the experiment, the culture media was replaced with assay buffer (HBSS, 20 mM HEPES, 0.1% BSA) and the cells incubated at 37° C. for 1 h. Calcium-sensitive fluorescent dye (Fluo 8 No-Wash Calcium Dye, ABD Bioquest) was then added and the cells incubated for another 30 min at 37° C. followed by 15 min at room temperature while protected from the light. The cell plate and a plate of diluted compounds of Formula (I) were loaded into a fluorescent plate reader that added compounds onto the cells while measuring the fluorescence intensity of each well. 
1945	1	Biological Assay	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. 
1946	1	In Vitro Enzymatic Assay	The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and substrate. The PDE enzymes concentration ranged from 10 pM-250 pM, depending on each enzyme&#39;s specific activity. The substrate cyclic nucleotide (cAMP or cGMP) concentration used in the assay was 20 nM for PDE10, and 100 nM for other PDEs. The inhibitory effect of compound was determined by incubating various concentration of inhibitor in the enzymatic assay. Typically, compound was serial diluted in DMSO then further diluted in assay buffer. Next, the compound at varying concentration was mixed with PDE enzyme. The reaction was initiated by addition of cyclic nucleotide substrate, and incubated for 60 minutes at 29 C. The reaction was stopped by addition of lysis buffer from assay kit. The cAMP-d2 and anti-cAMP cryptate in the lysis buffer detected the level of cAMP left from the PDE hydrolysis reaction. The PDE activity is reversely correlated with the amount of cAMP left in the reaction and can be converted to the percent activity of an uninhibited control (100%). 
1953	1	Enzyme Inhibition	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (400 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1953	2	Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M. 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1953	3	Enzyme Inhibition	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
1956	1	Scintillation Proximity Assay (SPA)	Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on Histone H3 of a mononucleosome, purified from HeLa cells. Mononucleosomes were captured on SPA beads and the resulting signal is read on a ViewLux plate reader. Compound Preparation 1. Prepare 10 mM stock of compounds from solid in 100% DMSO. 2. Set up an 11-point serial dilution (1:3 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 3. Dispense 100 nL of compound from the dilution plate into reaction plates (Grenier Bio-One, 384-well, Cat#784075). Part B. Reagent Preparation Prepare the following solutions: 1. 50 mM Tris-HCl, pH 8: Per 1 L of base buffer, combine 1 M Tris-HCl, pH 8 (50 mL) and distilled water (950 mL). 2. 1× Assay Buffer: Per 10 mL of 1× Assay Buffer, combine 50 mM Tris-HCl, pH 8 (9958 uL), 1 M MgCl2 (20 uL), 2 M DTT (20 uL), and 10% Tween-20 (2 uL) to provide a final concentration of 50 mM Tris-HCl, pH 8, 2 mM MgCl2, 4 mM DTT, 0.002% Tween-20. 3. 2× Enzyme Solution: Per 10 mL of 2× Enzyme Solution, combine 1× Assay Buffer and PRC2 complex to provide a final enzyme concentration of 10 nM. 4. SPA Bead Suspension: Per 1 mL of SPA Bead Suspension, combine PS-PEI coated LEADSeeker beads (40 mg) and H2O (1 mL) to provide a final concentration of 40 mg/mL. 5. 2× Substrate Solution: Per 10 mL of 2× Substrate Solution, combine 1× Assay Buffer (9728.55 uL), 800 ug/mL mononucleosomes (125 uL), 1 mM cold SAM (4 uL), and 7.02 uM 3H-SAM (142.45 uL; 0.55 mCi/mL) to provide a final concentration of 5 ug/mL nucleosomes, 0.2 uM cold SAM, and 0.05 uM 3H-SAM. 6. 2.67× Quench/Bead Mixture: Per 10 mL of 2.67× Quench/Bead Mixture, combine ddH2O (9358 uL), 10 mM cold SAM (267 uL), 40 mg/mL Bead Suspension (375 uL) to provide a final concentration of 100 uM cold SAM and 0.5 mg/mL SPA beads. Part C. Assay Reaction in 384-well Grenier Bio-One Plates Compound Addition 1. Dispense 100 nL/well of 100× Compound to test wells (as noted above). 2. Dispense 100 nL/well of 100% DMSO to columns 6 & 18 for high and low controls, respectively. Assay 1. Dispense 5 uL/well of 1× Assay Buffer to column 18 (low control reactions). 2. Dispense 5 uL/well of 2× Enzyme Solution to columns 1-17, 19-24. 3. Spin assay plates for 1 min at 500 rpm. 4. Stack the assay plates, covering the top plate. 5. Incubate the compound/DMSO with the enzyme for 30 min at room temperature. 6. Dispense 5 uL/well of 2× Substrate Solution to columns 1-24. 7. Spin assay plates for 1 min at 500 rpm. 8. Stack the assay plates, covering the top plate. 9. Incubate the assay plates at room temperature for 1 hour. Quench/Bead Addition 1. Dispense 5 uL/well of the 3× Quench/Bead Mixture to columns 1-24. 2. Seal the top of each assay plate with adhesive TopSeal. 3. Spin assay plates for 1 min at 500 rpm. 4. Equilibrate the plates for >20 min. Read plates 1. Read the assay plates on the Viewlux Plate Reader utilizing the 613 nm emission filter with a 300 s read time. Reagent addition can be done manually or with automated liquid handler.
1956	2	Scintillation Proximity Assay (SPA)	Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on a biotinylated, unmethylated peptide substrate derived from histone H3. The peptides were captured on streptavidin-coated SPA beads and the resulting signal was read on a ViewLux plate reader. 4. Prepare 10 mM stock of compounds from solid in 100% DMSO. 5. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls. 6. Dispense 10 nL of compound from the dilution plate into reaction plates (Corning, 384-well polystyrene NBS, Cat#3673). Part B. Reagent Preparation Prepare the following solutions: 7. 1× Base Buffer, 50 mM Tris-HCl, pH 8, 2 mM MgCl2: Per 1 L of base buffer, combine 1 M Tris-HCl, pH 8 (50 mL), 1 M MgCl2 (2 mL), and distilled water (948 mL). 8. 1× Assay Buffer: Per 10 mL of 1× Assay Buffer, combine 1× Base Buffer (9.96 mL), 1 M DTT (40 uL), and 10% Tween-20 (1 uL) to provide a final concentration of 50 mM Tris-HCl, pH 8, 2 mM MgCl2, 4 mM DTT, 0.001% Tween-20. 9. 2× Enzyme Solution: Per 10 mL of 2× Enzyme Solution, combine 1× Assay Buffer (9.99 mL) and 3.24 uM EZH2 5 member complex (6.17 uL) to provide a final enzyme concentration of 1 nM. 10. SPA Bead Solution: Per 1 mL of SPA Bead Solution, combine Streptavidin coated SPA beads (PerkinElmer, Cat# RPNQ0261, 40 mg) and 1× Assay Buffer (1 mL) to provide a working concentration of 40 mg/mL. 11. 2× Substrate Solution: Per 10 mL of 2× Substrate Solution, combine 40 mg/mL SPA Bead Solution (375 uL), 1 mM biotinylated histone H3K27 peptide (200 uL), 12.5 uM 3H-SAM (240 uL; 1 mCi/mL), 1 mM cold SAM (57 uL), and 1× Assay Buffer (9.13 mL) to provide a final concentration of 0.75 mg/mL SPA Bead Solution, 10 uM biotinylated histone H3K27 peptide, 0.15 uM 3H-SAM ( 12 uCi/mL 3H-SAM), and 2.85 uM cold SAM. 12. 2.67× Quench Solution: Per 10 mL of 2.67× Quench Solution, combine 1× Assay Buffer (9.73 mL) and 10 mM cold SAM (267 uL) to provide a final concentration of 100 uM cold SAM. Part C. Assay Reaction in 384-Well Grenier Bio-One Plates Compound Addition 3. Stamp 10 nL/well of 1000× Compound to test wells (as noted above). 4. Stamp 10 nL/well of 100% DMSO to columns 6 & 18 (high and low controls, respectively). Assay 10. Dispense 5 uL/well of 1× Assay Buffer to column 18 (low control reactions). 11. Dispense 5 uL/well of 2× Substrate Solution to columns 1-24 (note: substrate solution should be mixed to ensure homogeneous bead suspension before dispensing into matrix reservoir). 12. Dispense 5 uL/well of 2× Enzyme Solution to columns 1-17, 19-24. 13. Incubate the reaction for 60 min at room temperature. Quench 5. Dispense 6 uL/well of the 2.67× Quench Solution to columns 1-24. 6. Seal assay plates and spin for 1 min at 500 rpm. 7. Dark adapt plates in the ViewLux instrument for 15-60 min. Read plates 2. Read the assay plates on the Viewlux Plate Reader utilizing the 613 nm emission filter or clear filter (300 s exposure). Reagent addition can be done manually or with automated liquid handler. Results
1958	1	Inhibition Assay	G-402 cells can be obtained from ATCC (CRL-1440) and were originally derived from a renal leiomyoblastoma.The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate.G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy&#39;s 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &#956;g/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
1960	1	FLIPR Assay	Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by Fluorescent Imaging Plate Reader (FLIPR) technology available from Molecular Devices, LLC, U.S.A. Orexin mediated increases in intracellular Ca2+ concentration were readily detected upon activation with orexin-A. Twenty-four hours prior to the assay, RBL-2H3 cells stably expressing either human orexin receptor 1 or human orexin receptor 2 were seeded in cell culture medium in black, clear-bottom 384-well plates (commercially available from Corning Inc., U.S.A.) and grown overnight at 37&deg; C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (commercially sold by Molecular Devices, LLC, U.S.A.) for 1 hour at 37&deg; C., 5% CO2. Test compounds (at 10 point half log concentration response curves from 10 uM) were added to cells for 15 minutes prior to the addition of orexin-A to all wells, to achieve a final concentration that produces approximately an 80% maximal response.
1961	1	Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of IRAK-1 inhibition was performed in streptavidin coated 384well FlashPlate (PerkinElmer #SMP410A).His-TEV-IRAK-1 (15 ng/well), ATP (1 &#956;M, [33P]ATP 0.25 &#956;Ci/well) and compounds in DMSO (range of concentrations from 20 M to 1 nM) or controls (2% DMSO) were incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton-X-100 0.01%. Kinase reaction was stopped by addition of EDTA. Supernatant was discarded, plates were washed three times with 150 mM NaCl and radioactivity was then measured in a Microbeta Trilux reader.
1961	2	Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International based in Bagnols/C ze FR).Measurement of IRAK-4 inhibition was performed in streptavidin coated 384well FlashPlate (PerkinElmer #SMP410A). His-TEV-IRAK4 (20 ng/well), ATP (2 &#956;M, [33P]ATP 0.25 Ci/well), STK1-biotin peptide (300 nM) and compounds in DMSO (range of concentrations from 20 M to 1 nM) or controls (2% DMSO) were incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Tween-20 0.01%, MnCl2 5 mM.
1962	1	Inhibition Assay	Class I PI3-Ks can be either purchased (p110&#945;/p85&#945;, p110&#946;/p85&#945;, p110&#948;/p85&#945; from Upstate, and p110&#947; from Sigma) or expressed as previously described (Knight et al., 2004). IC50 values are measured using either a standard TLC assay for lipid kinase activity (described below) or a high-throughput membrane capture assay. Kinase reactions are performed by preparing a reaction mixture containing kinase, inhibitor (2% DMSO final concentration), buffer (25 mM HEPES, pH 7.4, 10 mM MgCl2), and freshly sonicated phosphatidylinositol (100 &#956;g/ml). Reactions are initiated by the addition of ATP containing 10 &#956;Ci of &#947;-32P-ATP to a final concentration 10 or 100 &#956;M and allowed to proceed for 5 minutes at room temperature. For TLC analysis, reactions are then terminated by the addition of 105 l 1N HCl followed by 160 &#956;l CHCl3:MeOH (1:1). The biphasic mixture is vortexed, briefly centrifuged, and the organic phase is transferred to a new tube using a gel loading pipette tip precoated with CHCl3. This extract is spotted on TLC plates and developed for 3-4 hours in a 65:35 solution of n-propanol:1M acetic acid. The TLC plates are then dried, exposed to a phosphorimager screen (Storm, Amersham), and quantitated. For each compound, kinase activity is measured at 10-12 inhibitor concentrations representing two-fold dilutions from the highest concentration tested (typically, 200 &#956;M). For compounds showing significant activity, IC50 determinations are repeated two to four times, and the reported value is the average of these independent measurements.
1963	1	In Vitro BTK Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 &#956;L aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, 1 &#956;L of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 &#956;L of a 50 mM EDTA solution. Aliquots (5 &#956;L) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 &#956;L of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
1964	1	Radioligand Binding Assay	HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1&#39;000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14&#8242;000 rpm for 20 s. The homogenate was centrifuged at 48&#39;000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14&#39;000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. 
1964	2	Radioligand Binding Assay	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1&#39;000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14&#39;000 rpm for 20 s. The homogenate was centrifuged at 48&#39;000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14&#39;000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron.
1967	1	In Vitro Assay	In vivo assays for 15-PGDH expression or 15-PGDH activity, e.g., ligands, agonists, antagonists, and their homologs and mimetics. The term modulator includes inhibitors and activators. Inhibitors are agents that, e.g., inhibit expression of 15-PGDH or bind to, partially or totally block stimulation, decrease, prevent, delay activation, inactivate, desensitize, or down regulate the activity of 15-PGDH, e.g., antagonists.
1968	1	Mass Spectrometry Assay	Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The procedure for this assay follows. Intact MK2 protein (Invitrogen, Cat. No. PR5320A) was incubated for 60 minutes at room temperature with a 10-fold excess of test compound to protein. Aliquots of the resulting mixture (6 &#956;L each) were diluted with 0.2% trifluoroacetic acid (TFA, 10 &#956;L) prior to micro C4 ZipTipping directly onto the MALDI target using sinapinic acid as the desorption matrix (10 mg/ml in 0.1% TFA:acetonitrile 50:50, v/v). The centroid mass of the target protein in the control sample was compared with the centroid mass of the target protein incubated with compound. A shift in the centroid mass of the treated protein compared to the untreated protein was divided by the molecular weight of the compound. This number corresponds to the percentage of modified protein (a measure of the proportion of total target protein covalently bound to the test compound) after one hour incubation. Results from this assay are reported in Table A under the column Mass Modification .
1970	1	Binding Assay	The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length precursor SUMO-1-GGHSTV (SUMO-1-FL) with unlabeled SENP1-C603S. An equimolar amount of SPI-01 was added to the 1:1 enzyme-substrate complex. The only observed CSP on the 15N-labeled precursor SUMO-1-FL was on the C-terminal residues S99 and V101 (FIGS. 7 and 8) (Song et al., PNAS 101:14373-8 (2004)). This result indicates that SPI-01 binds the enzyme-substrate complex at the interface between SENP and the C-terminal tails of precursor SUMO-FL. X-ray crystal structures showed that the C-terminal tail of precursor SUMO sits in and projects out of the catalytic tunnel of SENPs (Shen et al., Nat. Struct. Mol. Biol. 13:1069-77 (2006)). In the case of SENP1, the region that interacts with the projected C-terminus is predominantly acidic and favors the C-terminus of SUMO-1, which is polar and positively charged, over that of SUMO-2, whose C-terminus is mainly hydrophobic (Shen et al., Nat. Struct. Mol. Biol. 13:1069-77 (2006); and Shen et al., The Biochemical Journal 397:279-88 (2006)). 
1833	1	JAK1 Inhibition Assay	Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) was purchased from Carna Biosciences. 10 ng of JAK1 was incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (15 mM Tris-HCl pH 7.5, 1 mM DTT, 0.01% Tween-20, 10 mM MgCl2, 2 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 45 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100%. 
1833	2	JAK2 Inhibition Assay	Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) was purchased from Invitrogen. 0.025 mU of JAK2 was incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (5 mM MOPS pH 7.5, 9 mM MgAc, 0.3 mM EDTA, 0.06% Brij and 0.6 mM DTT, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100%. 
1833	3	JAK3 Inhibition Assay	Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerophosphate, 0.01% Triton X-100, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100%.
1833	4	TYK2 Inhibition Assay	Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Hepes pH 7.5, 100 mM NaCl, 0.2 mM Na3VO4, 0.1% NP-40, 0.1 &#956;M non-radioactive ATP, 0.125 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100%. 
1877	1	CBP TR-FRET Binding Assay	His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CBP (4 nM final) was combined with biotin-ligand (60 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody (Perkin Elmer ADO 110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 50 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1877	2	BRD4 AlphaLisa Binding Assay	His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (New England Peptide, NEP2069-1/13) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate BRD4(BD1) (30 nM final) was combined with peptide (200 nM final) in 40 mM HEPES (pH 7.0), 40 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 1.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature Alpha streptavidin donor beads and AlphaLisa anti-Flag acceptor beads were added to a final concentration of 10 ug/mL each. After three hours equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
1878	1	Competitive Radioligand Binding Assay 2	The affinity of candidate sigma-2 ligand compounds at sigma-1 and sigma-2 receptors was also determined by displacement of different known labeled sigma-2 or sigma-1 ligands. Filtration assays were conducted according the previously published procedure (Xu, et al., 2005). Test compounds were dissolved in N,N-Dimethylformamide (DMF), dimethyl sulfoxide (DMSO) or ethanol and then diluted in 50 mM Tris-HCl pH 7.4 buffer containing 150 mM NaCl and 100 mM EDTA. Membrane homogenates were made from guinea pig brain for sigma-1 binding assay and rat liver for sigma-2 binding assay. Membrane homogenates were diluted with 50 mM Tris-HCl buffer, pH 8.0 and incubated at 25° C. in a total volume of 150 uL in 96 well plates with the radioligand and test compounds with concentrations ranging from 0.1 nM to 10 uM. After incubation was completed, the reactions were terminated by the addition of 150 uL of ice-cold wash buffer (10 mM Tris HCl, 150 mM NaCl, pH 7.4) using a 96 channel transfer pipette (Fisher Scientific, Pittsburgh, Pa.) and the samples harvested and filtered rapidly through 96 well fiber glass filter plate (Millipore, Billerica, Mass.) that had been presoaked with 100 uL of 50 mM Tris-HCl buffer. Each filter was washed four times with 200 uL of ice-cold wash buffer (10 mM Tris-HCl, 150 mM NaCl, pH 7.4). A Wallac 1450 MicroBeta liquid scintillation counter (Perkin Elmer, Boston, Mass.) was used to quantitate the bound radioactivity.
1971	1	In Vitro Enzyme Inhibition Assay LSD-1	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number 060341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).The ability of the compounds disclosed herein to inhibit LSD1 activity was quantified and the respective IC50 value was determined. Table 4 provides the IC50 values of various substituted heterocyclic compounds disclosed herein.
1971	2	LSD1 CD11b Cellular Assay	To analyze LSD1 inhibitor efficacy in cells, a CD11b flow cytometry assay was performed. LSD1 inhibition induces CD11b expression in THP-1 (AML) cells which is measured by flow cytometry. THP-1 cells were seeded at 100,000 cells/well in 10% Fetal Bovine Serum containing RPMI 1640 media in a 24 well plate with a final volume of 500 &#956;L per well. LSD1 test compounds wdeere serially diluted in DMSO. The dilutions were added to each well accordingly to a final concentration of 0.2% DMSO. The cells were incubated at 37 degrees Celsius in 5% CO2 for 4 days. 250 &#956;L of each well was transferred to a well in a 96 well round bottom plate. The plate was centrifuged at 1200 rpm at 4 degrees Celsius in a Beckman Coulter Alegra 6KR centrifuge for 5 minutes. The media was removed leaving the cells at the bottom of the wells. The cells were washed in 100 &#956;L cold HBSS (Hank&#39;s Balanced Salt Solution) plus 2% BSA (Bovine Serum Albumin) solution and centrifuged at 1200 rpm at 4 degrees Celsius for 5 minutes. The wash was removed. The cells were resuspended in 100 &#956;L HBSS plus 2% BSA containing 1:15 dilution of APC conjugated mouse anti-CD11b antibody (BD Pharmingen Cat#555751) and incubated on ice for 25 minutes. The cells were centrifuged and washed two times in 100 &#956;l HBSS plus 2% BSA. After the final spin the cells were resuspended in 100 &#956;L HBSS plus 2% BSA containing 1 ug/mL DAPI (4&#8242;,6-diamidino-2-phenylindole). The cells were then analyzed by flow cytometry in a BD FACSAria machine. Cells were analyzed for CD11b expression. The percent of CD11b expressing cells for each inhibitor concentration was used to determine an IC50 curve for each compound analyzed.
1972	1	Eis inhibition assay	To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Eis enzyme) and biological (effect on the MIC values of KAN in KAN-sensitive Mtb H37Rv and in Mtb K204, which is KAN-resistant due to Eis upregulation properties were evaluated in parallel studies (Table 2 and FIG. 1). The freshly synthesized compound 29 displayed robust inhibition of Eis in vitro (IC50=0.08±0.02 &#956;M). When combined with KAN, sulfonamide 29, resulted in a four-fold reduced KAN MIC value (2.5 &#956;g/mL) compared to KAN alone (10 &#956;g/mL) for K204 Mtb. This was a reduction almost to the MIC level of KAN in the KAN-susceptible Mtb H37Rv (1.25 &#956;g/mL) parent strain. To gain insight into the importance of the substitution pattern on the aniline portion of the sulfonamide scaffold, secondary (NHAr) and tertiary (N(Me)Ar) sulfonamides (29-47) were first generated. Eis inhibition assays with the synthesized sulfonamides were carried out in combination with KAN. The non-methylated counterpart of lead compound 29, compound 30, displayed lower Eis inhibitory activity (IC50=6.24±1.31 &#956;M) and, contrary to 29, did not overcome KAN resistance in Mtb K204 (MICKAN=10 &#956;g/mL). Two other non-methylated derivatives, 31 and 32, also resulted in lower Eis inhibitory activity (IC50>200 and 10.6±2.5 &#956;M, respectively) and did not overcome KAN resistance in Mtb K204 (MICKAN=10 and 5 &#956;g/mL, respectively).
1974	1	Estrogen Receptor (ER) Degradation Assay	A screening strategy was implemented utilizing an In-Cell Western assay to measure their ability to degrade the estrogen receptor in vitro. MCF7 cells, which are estrogen receptor positive, were plated at a cell density of 3.5E-05 cells/mL into black walled clear bottom 96-well plates. Cells were incubated in phenol red free Dulbecco&#39;s Modified Eagle Media (DMEM) supplemented with 8% charcoal-stripped fetal bovine calf serum for 24 hours in a humidified 37° C. incubator. Concentrated stock compounds were diluted to 10× in complete media. Compounds were added to the plated cells in a dose-dependent manner ranging from 1E-12 to 1E-05 M and incubated for an additional 24 hours at 37° C. Culture medium was removed from the culture plates by gentle inversion. Cells were fixed in 4% paraformaldehyde in 1× phosphate buffered saline-calcium magnesium free (PBS-CMF) for 15 minutes at room temperature, washed 3 times for 5 minutes each in 1×PBS-CMF. Cells were permeabilized in immunofluorescence (IF) blocking buffer (Cell Signaling #12411) containing 0.3% Triton X100. Cells were washed 3 times for 5 minutes each in 1×PBS-CMF and incubated in estrogen receptor &#945; (D6R2W) rabbit primary antibody (Cell Signaling #13258) diluted 1:300 in IF antibody dilution buffer (Cell Signaling #12378). Cells were washed 3 times for 5 minutes each in 1×PBS-CMF and stained with goat anti-rabbit (Biotium #CF770) secondary antibody diluted 1:2000 in IF antibody dilution buffer and normalizing stain CellTag 700 diluted 1:500 (Licor #926-41090). ER protein expression was assessed by the Licor Odyssey CLx imaging system using Image Studio v5.2. Data is processed utilizing GraphPad Prism 7 by subtracting background from the vehicle and setting the vehicle to 100% ER activity, followed by comparing treated samples to vehicle.
1974	2	Human ERalpha Reporter Assa	All reagents used in this assay was supplied in the Human ER&#945; Reporter Assay by Indigo Biosciences # IB00401. In an effort to screen selective estrogen receptor degraders (SERDs), the Human ER&#945; Reporter Assay, supplied by Indigo Biosciences, was utilized to quantify antagonist functional activity against the human estrogen receptor. Reporter cells were thawed at 37° C. and added to pre-warmed to 37° C. cell recovery medium (CRM). Stock concentration of 17&#946;-estradiol was serially diluted in CRM. Diluted 17&#946;-estradiol was added to CRM containing reporter cells resulting in a working concentration of 1.6 nM (2×). Cells plus 17&#946;-estradiol were dispensed in a kit-supplied white walled 96-well plate. Concentrated stocks of test compounds were diluted to 2× working concentrations in cell screening medium (CSM). 2× concentrated compounds were added to the plated cells in a dose-dependent manner resulting in a final concentration range of 1E-11 to 1E-5 M and a final 17&#946;-estradiol concentration of 8E-10 M. Assay plates were incubated for 24 hours in a humidified 37° C. incubator. Culture medium was removed from the assay plates by inversion. Detection substrate and buffer was warmed to room temperature, mixed thoroughly, and immediately added to the assay plates. Assay plates were incubated for 15 minutes at room temperature protected from light. Luminescence was measured in a Synergy HTX luminescence plate reader. Data is processed utilizing GraphPad Prism 7 by graphing the relative light units measured at each compound concentration. 
1975	1	BIOLOGICAL ASSAY	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
1976	1	CHO GLP-1R Clone H6-Assay 1	GLP-1R-mediated agonist activity was determined with a cell-based functional assay utilizing an HTRF (Homogeneous Time-Resolved Fluorescence) cAMP detection kit (cAMP HI Range Assay Kit; CisBio cat #62AM6PEJ) that measures cAMP levels in the cell. The method is a competitive immunoassay between native cAMP produced by the cells and exogenous cAMP labeled with the dye d2. The tracer binding is visualized by a mAb anti-cAMP labeled with Cryptate. The specific signal (i.e. energy transfer) is inversely proportional to the concentration of cAMP in either standard or experimental sample.The human GLP-1R coding sequence (NCBI Reference Sequence NP_002053.3, including naturally-occurring variant Gly168Ser) was subcloned into pcDNA3 (Invitrogen) and a cell line stably expressing the receptor was isolated (designated Clone H6). Saturation binding analyses (filtration assay procedure) using 125I-GLP-17-36 (Perkin Elmer) showed that plasma membranes derived from this cell line express a high GLP-1R density (Kd: 0.4 nM, Bmax: 1900 fmol/mg protein).Cells were removed from cryopreservation, re-suspended in 40 mL of Dulbecco&#39;s Phosphate Buffered Saline (DPBS-Lonza Cat #17-512Q) and centrifuged at 800×g for 5 min at 22° C. The cell pellet was then re-suspended in 10 mL of growth medium [DMEM/F12 1:1 Mixture with HEPES, L-Gln, 500 mL (DMEM/F12 Lonza Cat #12-719F), 10% heat inactivated fetal bovine serum (Gibco Cat #16140-071), 5 mL of 100× Pen-Strep (Gibco Cat #15140-122), 5 mL of 100× L-Glutamine (Gibco Cat #25030-081) and 500 &#956;g/mL Geneticin (G418) (Invitrogen #10131035)]. A 1 mL sample of the cell suspension in growth media was counted on a Becton Dickinson ViCell to determine cell viability and cell count per mL. The remaining cell suspension was then adjusted with growth media to deliver 2000 viable cells per well using a Matrix Combi Multidrop reagent dispenser, and the cells were dispensed into a white 384 well tissue culture treated assay plate (Corning 3570). The assay plate was then incubated for 48 hours at 37° C. in a humidified environment in 5% carbon dioxide.Varying concentrations of each compound to be tested (in DMSO) were diluted in assay buffer (HBSS with Calcium/Magnesium (Lonza/BioWhittaker cat #10-527F)/0.1% BSA (Sigma Aldrich cat #A7409-1L)/20 mM HEPES (Lonza/BioWhiftaker cat #17-737E) containing 100 &#956;M 3-isobutyl-1-methylxanthin (IBMX; Sigma cat #15879). The final DMSO concentration is 1%.After 48 hours, the growth media was removed from the assay plate wells, and the cells were treated with 20 &#956;L of the serially diluted compound in assay buffer for 30 minutes at 37° C. in a humidified environment in 5% carbon dioxide. Following the 30 minute incubation, 10 &#956;L of labeled d2 cAMP and 10 &#956;L of anti-cAMP antibody (both diluted 1:20 in cell lysis buffer; as described in the manufacturer&#39;s assay protocol) were added to each well of the assay plate. The plates were then incubated at room temperature and after 60 minutes, changes in the HTRF signal were read with an Envision 2104 multi-label plate reader using excitation of 330 nm and emissions of 615 and 665 nm. Raw data were converted to nM cAMP by interpolation from a cAMP standard curve (as described in the manufacturer&#39;s assay protocol) and the percent effect was determined relative to a saturating concentration of the full agonist GLP-17-36 (1 &#956;M) included on each plate. EC50 determinations were made from agonist dose-response curves analyzed with a curve fitting program using a 4-parameter logistic dose response equation.
1976	2	CHO GLP-1R Clone C6-Assay 2	GLP-1R-mediated agonist activity was determined with a cell-based functional assay utilizing an HTRF (Homogeneous Time-Resolved Fluorescence) cAMP detection kit (cAMP HI Range Assay Kit; Cis Bio cat #62AM6PEJ) that measures cAMP levels in the cell. The method is a competitive immunoassay between native cAMP produced by the cells and exogenous cAMP labeled with the dye d2. The tracer binding is visualized by a mAb anti-cAMP labeled with Cryptate. The specific signal (i.e. energy transfer) is inversely proportional to the concentration of cAMP in either a standard or an experimental sample.The human GLP-1R coding sequence (NCBI Reference Sequence NP_002053.3, including naturally-occurring variant Leu260Phe) was subcloned into pcDNA5-FRT-TO and a clonal CHO cell line stably expressing a low receptor density was isolated using the Flp-In T-Rex System, as described by the manufacturer (ThermoFisher). Saturation binding analyses (filtration assay procedure) using 125I-GLP-1 (Perkin Elmer) showed that plasma membranes derived from this cell line (designated clone C6) express a low GLP-1R density (Kd: 0.3 nM, Bmax: 240 fmol/mg protein), relative to the clone H6 cell line.Cells were removed from cryopreservation, re-suspended in 40 mL of Dulbecco&#39;s Phosphate Buffered Saline (DPBS-Lonza Cat #17-512Q) and centrifuged at 800×g for 5 min at 22° C. The DPBS was aspirated, and the cell pellet was re-suspended in 10 mL of complete growth medium (DMEM:F12 1:1 Mixture with HEPES, L-Gln, 500 mL (DMEM/F12 Lonza Cat #12-719F), 10% heat inactivated fetal bovine serum (Gibco Cat #16140-071), 5 mL of 100× Pen-Strep (Gibco Cat #15140-122), 5 mL of 100× L-Glutamine (Gibco Cat #25030-081), 700 &#956;g/mL Hygromycin (Invitrogen Cat #10687010) and 15 &#956;g/mL Blasticidin (Gibco Cat #R21001). A 1 mL sample of the cell suspension in growth media was counted on a Becton Dickinson ViCell to determine cell viability and cell count per mL. The remaining cell suspension was then adjusted with growth media to deliver 1600 viable cells per well using a Matrix Combi Multidrop reagent dispenser, and the cells were dispensed into a white 384 well tissue culture treated assay plate (Corning 3570). The assay plate was then incubated for 48 h at 37° C. in a humidified environment (95% O2, 5% CO2)Varying concentrations of each compound to be tested (in DMSO) were diluted in assay buffer [HBSS with Calcium/Magnesium (Lonza/BioWhittaker cat #10-527F)/0.1% BSA (Sigma Aldrich cat #A7409-1L)/20 mM HEPES (Lonza/BioWhittaker cat #17-737E)] containing 100 &#956;M 3-isobutyl-1-methylxanthin (IBMX; Sigma cat #15879). The final DMSO concentration in the compound/assay buffer mixture is 1%.After 48 h, the growth media was removed from the assay plate wells, and the cells were treated with 20 &#956;L of the serially diluted compound in assay buffer for 30 min at 37° C. in a humidified environment (95% O2, 5% CO2). Following the 30 min incubation, 10 &#956;L of labeled d2 cAMP and 10 &#956;L of anti-cAMP antibody (both diluted 1:20 in cell lysis buffer; as described in the manufacturer&#39;s assay protocol) were added to each well of the assay plate. The plates were then incubated at room temperature and after 60 minutes, changes in the HTRF signal were read with an Envision 2104 multi-label plate reader using excitation of 330 nm and emissions of 615 and 665 nm. Raw data were converted to nM cAMP by interpolation from a cAMP standard curve (as described in the manufacturer&#39;s assay protocol) and the percent effect was determined relative to a saturating concentration of the full agonist GLP-1 (1 &#956;M) included on each plate. EC50 determinations were made from agonist dose response curves analyzed with a curve fitting program using a 4-parameter logistic dose response equation.
1978	1	Human AMCase Activity Assay	An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-Methylumbelliferyl B-D-N,N&#8242;-diacetylchitobioside hydrate was used as a substrate for the enzyme. Upon hydrolysis by AMCase, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of hAMCase recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Buffer (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
1978	2	Human CHIT1 Activity Assay	An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-methylumbelliferyl &#946;-D-N,N&#8242;,N&#8243;-triacetylchitotriose was used as a substrate for the enzyme. Upon hydrolysis by CHIT1, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of CHIT1 recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Solution (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
1979	1	In Vitro Factor XIa Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 75-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
1986	1	NAV1.7 P1 BLOCK (nM) (Automated Patchclamp)	In some cases, the potency of compounds was measured using either the Patchliner automated patch clamp platform (Nanion) or manual patch clamp techniques. Both approaches allowed the compounds to be characterized based upon the ability of a compound to modulate use- and/or state-dependence. The potency data is tabulated in Table 3 and is represented by eight data fields. The first four fields represent potency data measured with the Patchliner automated platform under varying use- and state-dependent electrophysiology protocols similar to the Patch express protocols detailed above. The first data column describes the potency of compounds when the Nav1.7 channel is being repetitively activated at a 7 Hz hyperpolarization frequency (Table 3: hNav1.7: IC50 of inward current block at 7 Hz, Automated patchclamp). The second data column represents the potency at which 50% of the initial hyperpolarization pulse is inhibited by the compounds (Table 3: hNav1.7: IC50 of P1 block, Automated patchclamp). The third data column details the potency of compounds in their ability to block 50% of Nav1.7 channels when these channels are induced into the slow inactivated state (Table 3: hNav1.7: IC50 of slow inactivation block, Automated patchclamp). The fourth data column shows potency data at which 50% of channel activity is blocked when repetitively activated at a 0.25 Hz hyperpolarizing frequency (Table 3: hNav1.7: IC50 of inward current block at 0.25 Hz, Automated patchclamp). The next three data fields describe the data generated from manual patchclamp electrophysiology measurements using similar methods to those employed for automated patchclamp studies. The fifth and sixth data columns demonstrate the potency at which 50% of channel activity was inhibited when repetitively activated with a 7 Hz or 0.25 Hz hyperpolarization frequency, respectively (Table 3: hNav1.7: IC50 of inward current block at 7 Hz, Manual patchclamp)(hNav1.7: IC50 of inward current block at 0.25 Hz, Manual patchlamp). The seventh column shows the potency of certain compounds which block 50% channel activity when the Nav1.7 channel is in the slow inactivated state (hNav1.7: IC50 of slow inactivation block, Manual patchclamp). The last column characterizes the state-dependence of compound inhibition. Compounds that maintain the greatest potency for the slow inactivated state over fast inactivated or tonic inhibition at 0.25 Hz are characterized as "state dependent, blocker of slow inactivation".
1986	2	NAV1.7 SLOW INACTIVATION BLOCK (nM) (Automated Patchclamp)	NAV1.7 SLOW INACTIVATION BLOCK (nM) (Automated Patchclamp).
1986	3	NAV1.7 SLOW INACTIVATION BLOCK (nM) (Manual Patchclamp)	NAV1.7 SLOW INACTIVATION BLOCK (nM) (Manual Patchclamp).
1986	4	NAV1.7 INWARD CURRENT BLOCK (nM) (Automated Patchclamp)	NAV1.7 INWARD CURRENT BLOCK (nM) (Automated Patchclamp).
1986	5	NAV1.7 INWARD CURRENT BLOCK (nM) (0.25HZ Automated Patchclamp)	NAV1.7 INWARD CURRENT BLOCK (nM) (0.25HZ Automated Patchclamp).
1986	6	NAV1.7 INWARD CURRENT BLOCK (nM) (7HZ Manual Patchclamp)	NAV1.7 INWARD CURRENT BLOCK (nM) (7HZ Manual Patchclamp).
1988	1	Enzyme Assay	FGFR1, 2 and 3 kinase activity was measured by the Invitrogen LanthaScreen Assay technology which directly measures the amount of substrate phosphorylation by TR-FRET using a fluorescein-labeled peptide and Europium-labeled antibody.To measure FGFR1 kinase activity, 200 pM His-tagged recombinant human FGFR1 catalytic domain (amino acids 308-731) (Life Technologies Cat. No. PR4660A) was incubated with 100 nM Alexa Fluor 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and ATP in the presence of Mg++, along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After 20 minutes incubation at 22° C., an equal volume of 2 nM LanthaScreen Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC is determined using no test compound and 0 POC is determined using no enzyme. The POC values were fit to a 4 parameter logistic curve and the IC50 value is point where the curve crosses 50 POC.To measure FGFR2 kinase activity: 200 pM His-tagged recombinant human FGFR2 cytoplasmic domain (amino acids 403-822), (Life Technologies Cat. No. PR5332A); 20 minutes incubation at 22° C., 60 minute detection incubation at 22° C.To measure FGFR3 kinase activity: 750 pM N-terminal GST-HIS6 fusion protein with a 3C cleavage site recombinant human FGFR3 (amino acids R397-T806) (ProQinase Cat. No. 1068-0000-1); 10 minutes incubation at 22° C., 60 minute detection incubation at 22° C.
1991	1	ATR Inhibition Assay	Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations are 10 &#956;M [&#947;-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK).Assays are carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution is prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution is placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate is pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction is stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHNOB50) is pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate is washed with 5×200&#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) is added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).After removing mean background values for all of the data points, Ki(app) data are calculated from non-linear regression analysis of the initial rate data using the Prism software package (GraphPad Prism version 3.0cx for Macintosh, GraphPad Software, San Diego Calif., USA).
13182	1	TBD	TBD
13183	1	Thyroid Hormone Receptor Binding Assay	The ligand binding domain of thyroid hormone receptor alpha and the ligand binding domain of thyroid hormone receptor beta with GST tag were purchased from Invitrogen. Biotin-SRC2-2 coactivator peptide was purchased from Sangon Biotech, Europium anti-GST and Streptavidin-D2 was from Cisbio. Five microliters of 4× compound serial dilution was added in the 384-well plate, white, low volume, round-bottom assay plate. Five microliters of TRβ LBD (2 nM) or TRα LBD (4 nM) in 50 mM Tris-HCl (pH7.4) with 100 mM NaCl, 1 mM EDTA, 50 mM KF, 1 mM DTT, 1 mM MgCl2, 10% glycerol, 0.01% NP-40, 0.1% BSA (reaction buffer) was mixed with 10 microliters of 400 nM Biotin-SRC2-2 (2×) and anti-GST Eu (1:200) (2×) and 50 nM streptavidin-d2 (2×) in reaction buffer in the same assay plate. Centrifuge the assay plates at 1000 g for 1 min and incubate 1 hr at RT, protected from light. Then read the plate at wavelengths of 665 nm and 615 nm on Envision 2104 plate reader. Calculate EC50 by fitting % Activity values and log of compound concentrations to nonlinear regression (dose response—variable slope) with Graphpad 5.0.
1995	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
1996	1	Chemical Library Screens and Analysis	About 150,000 compounds were screened. These chemical compounds were from the LOPAC 1280 collection, the Prestwick chemical library, the Pharmakon collection, the MicroSource Spectrum collection, the Life Chemicals library, the Greenpharma natural compound library, the Enamine library, the ChemBridge library, the Chem-X-Infinity library, and the BioFocus DPI library. Purified fascin protein (15 &#956;L of 0.5 &#956;M) in buffer (100 mM KCl, 20 mM Tris/HCl, pH 7.5, 2 mM MgCl2) was added into each well of a clear 384-well flat-bottom plate (Corning) using Thermo Multidrop Combi (Fisher). Compound (180 mL) solutions (5 mM stock) from various chemical libraries were pin transferred from stock 384-well plates into the 384-well assay plates and incubated for 30 min. Then 15 &#956;L of 0.5 &#956;M polymerized actin (in 100 mM KCl, 20 mM Tris/HCl, pH 7.5, 2 mM MgCl2, 1 mM DTT, 1 mM ATP) (Cytoskeleton Inc.) was added, resulting in 30 &#956;M final concentration for chemical compounds. After another 30 min, 10 &#956;L of Alexa Fluoro 488 Phalloidin (25 times dilution from stocks in 100% methanol, Invitrogen) was added to stain F-actin and was incubated in the dark for one hour. Mixed solution (25 &#956;L) was then transferred to one well in a black 384-well plate coated with poly-D-lysine, and stained actin bundles or F-actin would stick onto the poly-D-lysine plates. After the plates were thoroughly washed with 1×PBS for 3 times, the plate was imaged using an ImageXpress Micro High Content Screening System (Molecular devices). The images were processed and analyzed using MetaMorph software. The raw image data for each well was background-corrected by subtraction of the median intensities across all wells on the plate. The background-corrected data was used to compute the bundle length for each well. The negative control wells were employed for quality control: multiple DMSO-only control wells (16 wells/plate) were present on each assay plate. The top ten compounds with the shortest bundle length on each plate were chosen for subsequent confirmative screens. In the confirmative screens, 700 compounds were tested in duplicate. One hundred and forty-five compounds with confirmed responses were picked and preceded to the IC50 studies.In confirmative screening of selected compounds, a control with another actin-bundling protein, fimbrin, was used to eliminate compounds that are not specific to fascin. Also in confirmative screening, each compound was tested in duplicate on the same plate.
1997	1	In Vitro Acetyl-CoA Carboxylase (ACC) Inhibition Assay	An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention toward either ACC1 or ACC2, follows. The ADP-Glo Kinase Assay kit from Promega is used. The ADP-Glo Kinase Assay is a luminescent ADP detection assay to measure enzymatic activity by quantifying the amount of ADP produced during an enzyme reaction. The assay is performed in two steps; first, after the enzyme reaction, an equal volume of ADP-Glo Reagent is added to terminate the reaction and deplete the remaining ATP. Second, the Kinase Detection Reagent is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. Luminescence can be correlated to ADP concentrations by using an ATP-to-ADP conversion curve. The detailed procedure is as follows. 50 &#956;L of the compound being tested (600 uM in DMSO) is added to a 384-well dilution plate. The compound is diluted 1:3 in succession in DMSO for each row for 11 wells. 0.5 &#956;L ACC2 working solution is added to 384-well white Optiplate assay plate. 0.5 &#956;L diluted compound solution in each column from step 2 is added to the assay plate, each row containing 2 replicates. For the last 2 rows, add 0.5 &#956;L negative control (DMSO) in one row and 0.5 &#956;L positive control (compound I-97) in the other. The plates are incubated at room temperature for 15 minutes. 5 &#956;L substrate working solution is added to each well to initiate reaction. Final ACC2 reaction concentrations consist of: 5 nM ACC2, 20 &#956;M ATP, 20 &#956;M acetyl-CoA, 12 mM NaHCO3, 0.01% Brij35, 2 mM DTT, 5% DMSO, test compound concentrations: 30 &#956;M, 10 &#956;M, 3.33 &#956;M, 1.11 &#956;M, 0.37 &#956;M, 0.123 &#956;M, 0.0411 &#956;M, 0.0137 &#956;M, 0.00457 &#956;M, 0.00152 &#956;M, and 0.00051 &#956;M. Plates are incubated at room temperature for 60 minutes. 10 &#956;L ADP glo reagent is added. Plates are incubated at room temperature for 40 minutes. 20 &#956;L kinase detection reagent is added. Plates are incubated at room temperature for 40 minutes, then read on a Perkin Elmer EnVision 2104 plate reader for luminescence as Relative Light Units (RLU).
1998	1	Btk Enzyme Activity Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ.ID.NO.: 1), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
1999	1	CDK8/Cyclin C Binding Assay	The binding assay relies on the LanthaScreen Eu-Kinase Binding Assay (Invitrogen. This is a kinase assay platform based on measuring the binding and displacement of an Alexa Fluor 647 conjugate of an ATP-competitive kinase inhibitor (Kinase Tracer 236, PV5592) at a kinase active site. Binding of the tracer to the kinase is detected by addition of a europium (Eu)-labelled anti-His antibody (Invitrogen PV 5596), which specifically labels the kinase of interest. This binding results in a high degree of fluorescence resonance energy transfer (FRET), whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET.The enzyme has been purchase from Invitrogen (PV4402) as a dimer of full-length His-tagged recombinant human proteins.Assay conditions were as indicated by the kit manufacturers with the following adaptations:Assay buffer: 50 mM HEPES, pH 7.5, 1 mM EGTA, 0.01% Brij-35, 10 mM MgCl2Assay volume: 25 &#956;lIncubation time and temperature: 60 min at 25° C.Cdk8-Cyclin C concentration: 5 nMTracer concentration: 10 nM(Eu)-labeled anti-His antibody concentration: 1.5 nMTested compound: Serial 1:3 dilutionsFinal DMSO concentration in the assay: 1%Assays were performed in 384-well plates. The final read out was generated using an EnVision plate reader (Perkin-Elmer). The emission ratio was calculated by dividing the acceptor/tracer emission (665 nm) by the antibody/donor emission (615 nm).
1999	2	Haspin Kinase Assay	The kinase assay relies on ADP-GloKM biochemical kinase assay (Promega). This is a luminescent kinase assay that measures ADP formed from a kinase reaction. Then ADP is converted into ATP, which is transformed into a light signal by Ultra-Glo Luciferase. The luminescent signal positively correlates with kinase activity. The assay measures the intrinsic ATPase activity (in the absence of peptidic substrate as phosphate acceptor).The enzyme was purchase from Invitrogen (PV5708) as the kinase domain of GST tagged recombinant human proteins.Assay conditions were as indicated by the kit manufacturers with the following adaptations:Assay buffer: 15 mM HEPES pH 7.4, 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 0.1 mg/ml BGGAssay volume: 20 &#956;lIncubation time and temperature: 60 min at 30° C.Haspin concentration: 20 nMATP concentration: 150 &#956;MTested compound: Serial 1:3 dilutionsFinal DMSO concentration in the assay: 1%Assays were performed in 384-well plates. The final read out was generated using an EnVision plate reader (Perkin-Elmer). Luminescent relative units are normalized against the control activity included for each compound (i.e., 100% Haspin activity, without compound) and the percentage of inhibition is calculated.
1999	3	CDK19/Cyclin C Binding Assay	The binding assay relies on the LanthaScreen Eu-Kinase Binding Assay (Invitrogen). This is a kinase assay platform based on measuring the binding and displacement of an Alexa Fluor 647 conjugate of an ATP-competitive kinase inhibitor (Kinase Tracer 236, PV5592) at a kinase active site. Binding of the tracer to the kinase is detected by addition of a europium (Eu)-labelled anti-His antibody (Invitrogen PV 5596), which specifically labels the kinase of interest. This binding results in a high degree of fluorescence resonance energy transfer (FRET), whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET.The enzyme has been purchase from Prokinase (1384-0390-1) as a dimer of GST-His-CDK19 and His-Cyclin C recombinant human proteins.Assay conditions were as indicated by the kit manufacturers with the following adaptations:Assay buffer: 50 mM HEPES, pH 7.5, 1 mM EGTA, 0.01% Brij-35, 10 mM MgCl2Assay volume: 20 &#956;lIncubation time and temperature: 60 min at 25° C.Cdk19-Cyclin C concentration: 2 nMTracer concentration: 20 nM(Eu)-labelled anti-GST antibody concentration: 2 nMTested compound: Serial 1:3 dilutionsFinal DMSO concentration in the assay: 1%Assays were performed in 384-well plates. The final read out was generated using an EnVision plate reader (Perkin-Elmer). The emission ratio was calculated by dividing the acceptor/tracer emission (665 nm) by the antibody/donor emission (615 nm).
2000	1	Biological Assays	To each well of a 384-well plate, 1 &#956;L of test compounds in DMSO (final concentration ranging from 0.3 nM to 10 uM) were added into 20 &#956;l of assay buffer (50 mM Tris pH 7.4/0.01% Tween-20/0.1 mg/ml bovine serum albumin/10 &#956;M ferrous sulfate/1 mM sodium ascorbate/20 &#956;g/ml catalase) containing 0.15 &#956;g/ml FLAG-tagged full length PHD2 expressed in and purified from baculovirus-infected Sf9 cells. After a 5 min preincubation at room temperature, the enzymatic reactions were initiated by the addition of 4 &#956;L of substrates {final concentrations of 0.2 &#956;M 2-oxoglutarate and 0.5 &#956;M HIF-1&#945; peptide biotinyl-DLDLEMLAPYIPMDDDFQL (SEQ ID NO:1)}. After incubation for 45 minutes at room temperature, the reactions were terminated by the addition of a 25 &#956;L quench/detection mix to a final concentration of 1 mM ortho-phenanthroline, 0.1 mM EDTA, 0.5 nM anti-(His)6 LANCE reagent (Perkin-Elmer Life Sciences), 100 nM AF647-labeled streptavidin (Invitrogen), and 2 &#956;g/ml (His)6-VHL complex {S. Tan Protein Expr. Purif. 21, 224-234 (2001)} and the signals were developed for 30 minutes at room temperature. The ratio of time resolved fluorescence signals at 665 and 620 nm was determined, and percent inhibition was calculated relative to the high control samples (DMSO treated) run in parallel, after background subtraction.
2001	1	Thallium Flux Assay	A Thallium Flux Assay was performed on the compounds of the Examples. This assay has been described previously; see, e.g., PCT Published Application WO 2013/062900.Data collected for compounds in the Examples of the present invention using the Thallium Flux Assay are shown in Table 3 below. All of the tested final product compounds in the Examples (diastereomeric mixtures and individual diastereomers) had IC50 potencies less than 1 &#956;M in the Thallium Flux Assay.
2003	1	Transcreener KINASE Assay	Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 uL kinase reaction was performed by preparing a reaction mixture containing 10 uL kinase buffer (50 mM HEPES, 100 mM NaCl, 1 mM EGTA, 0.03% CHAPS, 3 mM MgCl2, and freshly supplemented 1 mM DTT), and 10 uL 30 uM PIP2 and 10 uM ATP, 5 uL test compound solution (the compound was dissolved in DMSO, the final concentrations of the compound in the reaction mixture were at 1 uM, 0.3 uM, 0.1 uM, 0.037 uM, 0.012 uM, 0.0041 uM, 0.0014 uM and 0.0005 uM, and final concentration of DMSO in the reaction mixture was 2%) or 5 uL control (2% DMSO). The reaction mixture was added into desired wells of a 96-well plate. The plate was sealed and incubated for 80 min at room temperature.2) Next, 25 uL ADP detection mix was added into each well. The plate was sealed again and incubated for 60 min at room temperature. Then fluorescence polarization was measured by Tecan Infinite F500 Reader.Data was analyzed and IC50 values were generated using the add-in software for Microsoft Excel, Xlfit (version 5.3).
2009	1	In Vitro Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.
2011	1	FLIPR	HEK-G&#945;16 cells stably expressing the human FPR2 receptor was utilized. Cells were plated into 384-well poly-D-lysine coated plates at a density of 18,000 cells per well one day prior to use. The growth media was DMEM medium supplemented with 10% fetal bovine serum (FBS), 1% antibiotic-antimycotic, 50 &#956;g/ml hygromycin, and 400 &#956;g/ml geneticin. On the day of the experiment, the cells were washed twice with Hank&#39;s Balanced Salt Solution supplemented with 20 mM HEPES (HBSS/hepes buffer). The cells were then dye loaded with 2 &#956;M Fluo-4 diluted in the HBSS/Hepes buffer and incubated at 37° C. for 40 minutes. Extracellular dye was removed by washing the cell plates four times prior to placing the plates in the FLIPR (Fluorometric Imaging Plate Reader, Molecular Devices). Ligands were diluted in HBSS/Hepes buffer and prepared in 384-well microplates.
2012	1	Human FXR (NR1H4) Assay	The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express kit from DiscoverX (cAMP HUNTER eXpress GPBAR1 CHO-K1 GPCR Assay; Cataloguer number: 95-0049E2CP2S)GPBAR1 (G protein-coupled bile acid receptor 1) encodes a member of the G protein-coupled receptor (GPCR) superfamily. GPBAR1 activation following ligand binding initiates a series of second messenger cascades that result in a cellular response. Treatment of CHO cells expressing GPBAR1 with bile acids induces the production of intracellular cAMP and internalization of the receptor. The potency and efficacy of compound for GPBAR1 activation by measuring cyclic adenosine monophosphate (cyclic AMP or cAMP) levels in live cells using a competitive immunoassay based on Enzyme Fragment Complementation (EFC).In briefly, following seeding the cells into the white, 96 well microplate, place it in a 37° C., 5% CO2 in a humidified incubator for 18-24 hours prior to testing. On second day, proceed to the appropriate cAMP HUNTER eXpress Protocol according to the manufacturer&#39;s instructions. Dissolve agonist compound in DMSO at the desired stock concentration, and prepare 3-fold serial dilutions of agonist compound in Cell Assay Buffer. The concentration of each dilution should be prepared at 4× of the final screening concentration (i.e. 15 &#956;L compound+45 &#956;L Cell Assay Buffer/cAMP Antibody Reagent). For each dilution, the final concentration of solvent should remain constant. Transfer 15 &#956;L diluted compound the assay plate and incubate the plate for 30 minutes at 37° C. Following agonist incubation, add 60 &#956;L of working cAMP detection reagents/cAMP Solution mixture (cAMP Lysis Buffer, Substrate Reagent 1, cAMP Solution D) to the appropriate wells. Incubate for 1 hour at room temperature (23° C.), protected from light. Add 60 &#956;l of cAMP Solution A to the appropriate wells. Incubate for 3 hours at room temperature (23° C.), protected from light. Read samples on Envision standard luminescence plate reader. Calculate of average EC50 after logarithm transformation.
2013	1	Inhibition Assay	The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 &#956;M to 10 &#956;M.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×106 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.Test compounds were serially diluted in DMSO and then spiked (2 &#956;L) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and incubated for 10 minutes. Assay was initiated with the addition of 0.1 mL of 100 &#956;M 14C-TEA in KHB buffer (20 &#956;M final concentration after mixing). The concentration of TEA is based on the Km. After 10 minutes of incubation, the assay mixture was quenched with addition of 0.5 mL of ice-cold 1×PBS buffer. Samples were then centrifuged at 1000 rpm for 5 min and supernatants were removed. Wash steps were repeated four times with ice-cold PBS. Finally, the cell pellets were lysed with 0.2N NaOH and let sit at room temperature for at least 30 min to ensure complete lysis.
2018	1	Inhibition Assay	The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemia (ALL) cells and a potential cause of ALL chemoresistance. Hence, we investigated whether the development of small molecule Mer inhibitors was possible.
2019	1	Kinase Inhibition Assay 	Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Agammaglobulinemia Tyrosine Kinase (Btk) and a modified protocol of the KinEASE FP Fluorescein Green Assay supplied from Millipore. Kinase reaction were performed at room temperature for 60 minutes in presence of 250 &#956;M substrate, 10 &#956;M ATP and variable test article concentrations. The reaction was stopped with EDTA/kinease detection reagents and the polarization measured on a Tecan 500 instrument. From the dose-response curve obtained, the IC50 was calculated using Graph Pad Prisms using a non linear fit curve. The Km for ATP on each enzyme was experimentally determined and the Ki values calculated using the Cheng-Prusoff equation (see: Cheng Y, Prusoff W H. (1973) Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 percent inhibition (I50) of an enzymatic reaction . Biochem Pharmacol 22 (23): 3099-108).
2020	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
2021	1	Inhibition Assay	HDAC inhibition assays can be performed, e.g., in a cell, in a cell extract, or in a cell-free mixture. Exemplary HDAC inhibition assays are described in P rez-Balado et al., 2007, J. Med. Chem., 50:2497-2505; Herman et al., 2006, Nat. Chem. Biol., 2:551-558; and Beckers et al., 2007, Int. J. Cancer, 121:1138-48. 
2022	1	Radioligand Binding Assay	Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 binding, various concentrations of test compounds from 100 &#956;M to 1 nM were used to displace 8 nM [3H](+)pentazocine from endogenous receptors on Jurkat cell membranes (Ganapathy M E et al. 1991, J Pharmacol. Exp. Ther. 289:251-260). 10 &#956;M Haloperidol was used to define non-specific binding. For Sigma-2 receptors various concentrations of test compounds from 100 &#956;M to 1 nM were used to displace 5 nM [3H] 1,3-Di-(2-tolyl)guanidine from endogenous receptors on membranes from rat cerebral cortex in the presence of 300 nM (+)pentazocine to mask Sigma-1 receptors. (Bowen W D, et al. 1993, Mol. Neuropharmcol 3:117-126). 10 &#956;M Haloperidol was used to define non-specific binding. Reactions were terminated by rapid filtration through Whatman GF/C filters using a Brandel 12R cell harvester followed by two washes with ice-cold buffer. Radioactivity on the dried filter discs was measured using a liquid scintillation analyzer (Tri-Carb 2900TR; PerkinElmer Life and Analytical Sciences). The displacement curves were plotted and the Ki values of the test ligands for the receptor subtypes were determined using GraphPad Prism (GraphPad Software Inc., San Diego, Calif.). The percentage specific binding was determined by dividing the difference between total bound (disintegrations per minute) and nonspecific bound (disintegrations per minute) by the total bound (disintegrations per minute).
2024	1	Inhibition Assay	Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium taurodexoycholate, pH 7.0. GCase enzyme (Cerezyme , recombinant human GCase obtained from R&D Systems) was diluted in the same buffer to 0.143 nM. The reaction solution consisted of 25 &#956;L of 6 mM 4-methylumbelliferone-&#946;-D glucopyranoside in 10% DMSO in the same buffer, 12.5 &#956;L of enzyme and 12.5 &#956;L of various concentrations of test compound diluted in buffer. The final concentrations in the reaction were 0.036 nM GCase, 3 mM 4-methylumbelliferone-&#946;-D glucopyranoside, and various concentrations of inhibitor. The reaction was initiated by addition of enzyme and allowed to proceed for 20 min at 37° C. to assess GCase activity. Reactions were stopped by the addition of an equal volume (50 &#956;L) of 0.5 M NaOH, 0.3 M glycine, pH 10.5. Fluorescence was measured on a Biotek Synergy H4 plate reader using a setting of 10 measurements per data point at wavelengths of 365 nm for excitation and 450 nm for emission. Incubations without added enzyme or added inhibitors were used to define no enzyme activity and maximal enzyme activity, respectively. IC50 values were determined by fitting the data to a log [inhibitor concentration] versus response curve using GraphPad Prism. IC50 values were calculated as the concentration of inhibitor required to inhibit GCase activity by 50%. Ki values were determined from the IC50 values by employing the Cheng-Prusoff equation using a GCase Km of 7.9 mM for 4-methylumbelliferone-&#946;-D glucopyranoside at pH 7.0.
2027	1	Inhibition Assay	Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present invention (including those synthesised in Example 1) were evaluated. For this purpose, said compounds were incubated (in a range of concentrations from 0.1 nM to 100 &#956;M) in the presence of 0.02 U/well of PDE7A1 and 0.05 &#956;Ci of [3H] cAMP, for 20 minutes at 30° C. in the assay buffer supplied with the kit (total volume per well=100 &#956;L). Once this time had elapsed, 50 &#956;L of a 20 mg/mL suspension of SPA glass silicate microspheres were added and kept in agitation at ambient temperature for 60 minutes. After allowing the plate to rest for 20 minutes, the radioactivity was tested in a scintillation detector. All the assays included two points in the absence of PDE7A1 (blank/negative control) and two points with PDE7A1 in the absence of inhibitors (positive control).
2041	1	Omnia Assay	The protocol below describes continuous-read kinase assays to measure potency of compounds against activated ERK1 enzyme. The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their website at the following URL: invitrogen.com/site/us/en/home.html.Briefly, a 1.25× stock of ERK1 enzyme (14-439-K) from Millipore (Billerica, Mass.), 5×ATP (AS001A) and ST17-Sox conjugated peptide substrate (KNZ1171C) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT. 10 &#956;L of ATP/ST17-sox peptide substrate mix was combined with 0.5 &#956;L volume of 100% DMSO and serially diluted compounds were prepared in 100% DMSO in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.). Kinase reactions were started with the addition of 40 &#956;L of ERK1 solution and monitored every 71 seconds for 30-240 minutes at &#955;ex360/&#955;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30+ minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes or seconds) and then plotted against inhibitor concentration to estimate AppIC50 from log [Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
2042	1	Inhibition Assay	The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suitable resistance marker (neomycin). Using standard techniques the expression plasmid is transfected into G-402 cells and these cells are then selected for expressing the given resistance markers. Individual cell-clones are then selected and assessed for displaying the desired enzymatic activity using 11-Deoxycorticosterone (Cyp11B2) or 11-Deoxycortisol (Cyp11B1) as a substrate.G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy&#39;s 5a Medium Modified, ATCC Catalog No. 30-2007 containing 10% FCS and 400 &#956;g/ml G418 (Geneticin) at 37° C. under an atmosphere of 5% CO2/95% air. Cellular enzyme assays were performed in DMEM/F12 medium containing 2.5% charcoal treated FCS and appropriate concentration of substrate (0.3-10 uM 11-Deoxycorticosterone, 11-Deoxycortisol or Corticosterone). For assaying enzymatic activity, cells were plated onto 96 well plates and incubated for 16 h. An aliquot of the supernatant is then transferred and analyzed for the concentration of the expected product (Aldosterone for CYP11B2; Cortisol for CYP11B1). The concentrations of these steroids can be determined using HTRF assays from CisBio analyzing either Aldosterone or Cortisol.
2046	1	AlphaScreen Assay	In AlphaScreen, when the donor and acceptor beads are close in proximity, a series of photochemical events will give rise to a fluorescent signal upon light activation. Here we use biotinylated poly-(Glu, Tyr) 4:1 as the kinase substrate, streptavidin-coated donor beads and anti-phosphortyrosine antibody PY100-coated acceptor beads. Upon phosphorylation, the peptide substrate can bind to both donor and acceptor beads, thus gives rise to fluorescence. Compounds, ATP, biotinylated poly-(Glu, Tyr) and kinases are mixed in a volume of 20 &#956;L for 1 hr at ambient temperature using Greiner 384-well white clear bottom medium binding plates. Then 10 uL solution containing 15-30 mg/mL AlphaScreen beads, 75 mM Hepes, pH 7.4, 300 mM NaCl, 120 mM EDTA, 0.3% BSA and 0.03% Tween-20 is added to each well. After 2-16 hr incubation of the beads, plates are read in a Perkin Elmer AlphaQuest reader (available from PerkinElmer Life and Analytical Sciences, Inc., of Boston Mass.). 
2047	1	HTRF Assay	(1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared using JNK buffer stock solution.(2) Assay buffer #2 with 0.025% BSA was prepared using the assay buffer #1.(3) Test compound solution preparation: 5× compound solution was prepared using assay buffer #1 with 5% DMSO. The compound solution (10 &#956;l/well) was added to a 384-well plate (Corning, Cat No. 3654).(4) aJNK1, 2 or 3 preparation: aJNK stock (100 &#956;g/ml) at &#8722;80° C. was thawed on ice and an aJNK (1.6 ng/ml) solution was prepared using assay buffer #2. The aJNK solution (20 &#956;l/well) was added to the plate and the plate was shaken. The enzyme was incubated with the compound at RT for 10 min.(5) ATP/substrate solution preparation: ATP and substrate stocks were thawed on ice. 2.5×ATP/substrate (e.g., 25 &#956;M or 2.5 mM ATP/50 nM EPIW-1) was prepared using assay buffer #1. The ATP/substrate (20 &#956;l/well) was added to the plate and the plate was shaken. The plate was incubated at RT for 15 min. Note: In an exemplary assay, the final ATP concentration was about 1 mM.(6) EDTA preparation: 30 mM EDTA was prepared using 0.5M EDTA stock and assay buffer #1. The EDTA (10 &#956;l/well) was added to the plate to quench the enzyme reaction and the plate was shaken well.(7) Detection reagent preparation: Eu-63 and SA-XL stocks were thawed on ice. 4× Eu-63/SA-XL (2 nM Eu-63/9.4 nM SA-XL) was prepared using JNK detection buffer. The Eu-63/SA-XL solution (20 &#956;l/well) was added to the plate and the plate was shaken. The plate was incubated at RT for 1 hr before reading the plate on LJL using ratiometric method named HTRF. 
2048	1	In Vitro Kinase Assay	Candidate compounds were screened by the Kinase-Glo assay (Promega; Koresawa and Okabe, 2004), the results of which are shown in Table 1 and Table 2. A reaction buffer containing 9.6 mM MOPS pH7 and 0.2 nM EDTA pH8 was added to 10 &#956;M SRSF1 RS peptide (NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH (SEQ ID NO: 1)) and 0.1 &#956;g of purified SRPK1 kinase. Candidate compounds were serially diluted from 10 &#956;M-0.5 nM and added to the reaction mixture, wells with omitted SRPK1 kinase and omitted compounds were also added as controls. All wells contained one percent DMSO. One micromolar ATP was added, wells minus ATP were used as background controls. The plate was then incubated at 30° C. for 10 minutes. An equal volume of Kinase-Glo (Promega, 25 &#956;l) was added to each well and the plate read for luminescence using an Fluostar Optima (BMG Labtech).
2051	1	LANCE ULight TR-FRET Kinase Assay	CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in 100% DMSO to white low volume assay plates (Perkin Elmer Proxiplate 6008289) using a Labcyte Echo acoustic dispenser. Assay reagents in serine/threonine kinase assay buffer containing 20 mM HEPES, 10 mM MgCl2, 100 mM Na3VO4, and 0.0075% Triton X-100. were added for final reaction mixture concentrations of 1000 &#956;M ATP, 100 nM U-light MBP peptide (Perkin Elmer TRF0109M) and reaction initiated with 4 nM CDK9/Cyclin T1 (Carna Biosciences 04-110). The kinase reaction was carried out for 30 minutes before addition of stopping buffer to a final of 20 mM EDTA and 0.5 nM of LANCE Ultra Europium anti-phospho-MBP antibody (PerkinElmer TRF0201M) in LANCE detection buffer (PerkinElmer CR97-100). The reaction was equilibrated for 1 hour and the signal read in the Perkin Elmer Envision in TR-FRET mode (excitation at 320 nm and emission at 615/665 nm).
2054	1	Binding Assay	Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant RORFigure US09796710-20171024-P00001Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM RORFigure US09796710-20171024-P00001LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard RORFigure US09796710-20171024-P00001 inverse agonist T0901317 (SigmaAldrich, Cat. # T2320).
2055	1	Fluorescence Polarization-Based Kinase Assay	Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Agammaglobulinemia Tyrosine Kinase (Btk) and a modified protocol of the KinEASE FP Fluorescein Green Assay supplied from Millipore. Kinase reaction were performed at room temperature for 60 minutes in presence of 250 &#956;M substrate, 10 &#956;M ATP and variable test article concentrations. The reaction was stopped with EDTA/kinase detection reagents and the polarization measured on a Tecan 500 instrument. From the dose-response curve obtained, the IC50 was calculated using Graph Pad Prisms using a non linear fit curve. 
2056	1	Binding Assay 	In order to measure the binding of compounds on the glucocorticoid receptor a commercially available kit was used (Glucocorticoid receptor competitor assay kit, PanVera Co., Madison, Wis., P2816). Briefly, a cell lysate containing recombinantly expressed human full-length glucocorticoid receptor was mixed with a fluorescently labeled glucocorticoid (1 nM Fluormone GS1) in the presence or absence of test compound. After one hour at room temperature, the fluorescence polarization (FP) of the samples were measured. The FP of a mixture of receptor, fluorescent probe (i.e., Fluormone GS1) and 1 mM dexamethasone represented background fluorescence or 100% inhibition, whereas, the FP of the mixture without dexamethasone was taken to be 100% binding. The percentage inhibition of test molecules were then compared to the sample with 1 mM dexamethasone and expressed as % relative binding activity with dexamethasone being 100% and no inhibition is 0%. Test molecules were analyzed in the concentration range from 2.4 nM to 40 &#956;M.Site I binding assays for any NHR (Nuclear Hormone Receptor) are conducted similarly to the above. An appropriate cell lysate or purified NHR is used as the source of the NHR. The fluorescent probe and unlabeled competitor are appropriate for the specific NHR, i.e., are ligands for the specific NHR.
2060	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. 
2062	5	Omnia Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog#267462). Omnia Tyr Peptide #4 (for TrkA) or #5 (for TrkB), as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP for TrkA assay or 1 mM ATP for TrkB assay, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. IC50 values were calculated from these rates using either a 4 or 5-parameter logistic curve fit.
2063	1	HTRF Assay	he UAE enzymatic reaction totals 50 &#956;L and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiquitin, 1 nM recombinant human UAE or mouse UAE. Compounds for this hUAE IC50 assay are tested at 10 point 3-fold dilution. The top concentration for this assay is 1 &#956;M. Each compound is ordered in duplicate on the same plate. The enzymatic reaction mixture is incubated for 90 minutes at room temperature (24 degrees C.) in a 384 well plate prior to termination with a stop solution (0.1 M HEPES/0.05% Tween20, 20 mmol EDTA, 410 mM KF, 0.5 nM Eu Cryptate anti-FLAG M2-K antibody (Cis-bio International), 8 ug/mL Anti-GST XL-APC (Prozyme)). After incubation for 120 minutes, quantification of the FRET is performed on the Pherostar (BMG).From the Pherastar rawdata files, % inhibition vs. plate based controls is calculated. Dose response data is further processed in Genedata Condoseo, which performs as 4 parameter logistic fit and determines the IC50 (intercept at 50% inhibition) for each compound. The results are shown in the following table. For compounds whose values are marked with an asterisk (*), mouse UAE was used. For all other compounds, human UAE was used.
2064	1	Lipid Extraction (LE) Assay	For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute pre-reaction incubation of 5 uL of 2.2× enzyme and 1 uL of 100% DMSO containing test compound or control compound, {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid. Some assays were performed with inclusion of didecanoylglycerol in the pre-reaction incubation of test compounds and enzyme. Reactions were initiated after 30 minute pre-reaction incubation via addition of 5 uL of 2.2× substrate. Final reaction conditions consisted of 50 mM HEPES pH 7.5, 2 mM MgCl2, 1 mM CHAPS, 25 uM didecanoylglycerol, 0.5 uM decanoyl-CoA, 0.3 nCi/uL [14C]-decanoyl-CoA or 0.5 nCi/uL [3H]-decanoyl-CoA, 0.05-4 ug/mL microsomal protein, and 1% DMSO. Following 60 minute reaction incubation, reactions were stopped with 40 uL of 45% isopropanol and 50 mM sodium carbonate in water and mixed. Extraction of tridecanoylglycerol product was accomplished via addition of 30 uL Microscint-E (Perkin Elmer) and 2 hours of incubation (sealed). Plates were read on a Microbeta Microplate reader Inhibition was normalized to controls containing DMSO or 10 uM {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid.
2068	1	Kinase Assay	The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a 100 &#956;M ATP on a detection system LANCE Ultra (PerkinElmer). The compound was first prepared into a 20 mM stock solution, and then gradientle diluted so as to be added into the mTOR enzyme reaction system on a 384 well plates. The test concentrations were 20, 4, 0.8, 0.16, 0.032, 0.0064, 0.00128, 0.000256 &#956;M (n=3). After the mTOR enzyme reaction was performed for 1.5 hours, it was terminated, and LANCE Ultra systeme (PerkinElmer) was used to perform the test for 1 hour. The test results were recorded on a multimode microplate reader Synergy II (BioTek). Relative activity against mTOR %=(Lance light value of the well with drug&#8722;light value of the blank group (without mTOR)/(light value of the DMSO group&#8722;light value of the blank group)×100%. 
2069	1	Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
2071	1	Enzyme Inhibition Assay	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2071	2	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) is then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
2071	3	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M. 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2071	4	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against the GSK 3 enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&alpha; protein (500 ng/mL, 2.5 uL) is mixed with the test compound (2.5 uL at either 4 ug/mL, 0.4 ug/mL, 0.04 ug/mL, or 0.004 ug/mL) for 2 hr at RT. The FRET peptide (8 uM, 2.5 uL), which is a phosphorylation target for GSK3&alpha;, and ATP (40 uM, 2.5 uL) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 uL) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2072	2	Biochemical Assay	Compound IC50 values are determined in a fluorescent hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotaxin substrate FS-3 as substrate. FS-3 is a doubly labeled analog of LPC wherein the fluorophore is quenched through intramolecular energy transfer. Without hENPP2, the emission of the probe is quenched. If the substrate is hydrolyzed by hENPP2, the emission of the probe is not quenched anymore resulting in a fluorescence increase. Inhibition of hENPP2 by compounds will result in a decrease of the signal. 10 uL of a dilution series of compound, starting from 20 uM highest concentration, dilution, is added to the wells. hENPP2 is used at a final concentration of 0.4 ug/mL or 0.64 ug/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.0, 250 mM NaCl, 5 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 20 uL. Enzyme mixture is added to compounds and the resulting mixture is incubated for 30 min at room temperature under shaking. The reaction is started by the addition of 20 uL of 0.75 uM FS-3 diluted in the same buffer as described above and the mixture is incubated at 30&deg; C. for 30 min. Fluorescence is read on the Envision (Excitation 485 nm, emission 520 nM).
2072	1	Biochemical Assay	Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 &#956;L of a dilution series of compound, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. hENPP2 is used at a final concentration of 1 &#956;g/mL or 3 &#956;g/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.5, 500 mM NaCl, 5 mM KCl, 10 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 10 &#956;L. the reaction is started by the addition of 10 &#956;L of 150 &#956;M LPC (palmitoyl 16:0) diluted in the same buffer as described above and the mixture is incubated at 37° C. for 30 min. The reaction is terminated and choline quantified by the addition of a 25 &#956;L of a mixture containing 0.6 U/mL of choline oxidase, 0.6 U/mL of peroxydase, 1.8 mM TOOS, 1.2 mM amino-antipyrine, 20 mM EGTA (stop-developer solution) diluted in the buffer described above. Luminescence is read on the Envision after an incubation of 30 min at room temperature (Excitation 555 nm, excitation light=70%).
2062	2	Jak2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 50 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog #IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 &#956;L. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog #IVGN PV4210).
2062	1	Jak1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture contained 50 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog #IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 5 nM Jak1 in a total volume of 20 &#956;L. GST-tagged human Jak1 kinase domain comprising amino acids 866-1154 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog #IVGN PV4774).
2062	3	Jak3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture contained 50 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog #IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 1.5 nM Jak3 in a total volume of 20 &#956;L. GST-tagged human Jak3 kinase domain comprising amino acids 781-1124 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog #IVGN PV3855).
2062	4	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 50 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog #IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 20 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). 
2073	1	Inhibition Assay	The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 mM NaCl, 10 mM MgCl2, 0.2 mM EDTA, 0.01% Brij35 , 1 mM DTT, and 0.1 mg/mL BSA at pH 7.3. The test compound is prepared in DMSO using 2-fold serial dilutions for 11 data points, which are added to the buffer so that each dilution contains 3% DMSO. To initiate the assay, 5 &#956;L of 3 &#956;M 5FAM-EEPLYWSFPAKKK-NH2 (in buffer), 5 &#956;L of diluted test compound (3% DMSO in buffer), and 5 &#956;L of 9 nM BTK and 150 &#956;M ATP in buffer are combined in each well. The reaction mixtures are incubated at room temperature for 60 minutes and then quenched by adding 25 &#956;L of 50 mM EDTA. To quantify the fluorescent-labeled substrate and product following reaction, the test plate is loaded on a Caliper LC-3000, which measures percent of conversion by microfluidic-based separation. Corresponding IC50 values are calculated by non-linear curve fitting of the compound concentrations and percent of inhibition to the standard IC50 equation and reported as pIC50, i.e., &#8722;log(IC50), where IC50 is molar concentration at 50% inhibition.
2074	1	Inhibition Assay	A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.
2075	1	Kinase Assay	The activity of the compound against mTOR was examined by measuring the incorporation of 33P from [&#947;-33P]-ATP into 4EBP1. His-tagged, recombinant human 4EBP1 was expressed in E. coli, purified by nickel-nitrilotriacetic acid (Ni-NTA) resins, and stored at &#8722;80° C. Phosphorylation of 4EBP1 by mTOR was assayed in the presence or absence of the compound and performed in a final volume of 25 &#956;l reaction buffer containing 300 ng 4EBP1, 50 ng recombinant mTOR (Invitrogen), 50 mM HEPES (pH 7.5), 1 mM EGTA, 0.01% Polysorbate 20, 10 mM MnCl2, 2.5 mM DTT, 10 &#956;M ATP, and 0.5 &#956;Ci [&#947;-33P]-ATP (PerkinElmer) for 30 min at 30° C. The reactions were terminated by adding 3% phosphoric acid. The 33P labeled 4EBP1 was transferred onto UniFilter-96 GF/B plate (PerkinElmer) and quantified by Top Count Microplate Scintillation Counter (PerkinElmer). For primary screening of kinase activity inhibition, each test compound was evaluated at 10 M in duplicate. The results were the average of duplicate measurements and expressed as percentage inhibition (compound treatment versus DMSO control). The IC50 values of the compounds were determined after carrying out assays at eight serially diluted concentrations of each compound in duplicate. The results were analyzed using linear regression software (GraphPad Prism 5; GraphPad Software Inc.).
2076	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
2077	1	Inhibition Assay	This example demonstrates reversible inhibition of USP1/UAF1 by an embodiment of the invention.The compound (81) at a concentration of ten times its 1050 value was pre-incubated with 10 &#956;M USP1/UAF1 at room temperature for 15 min. This solution was then diluted by 100-fold in assay buffer containing 50 mM HEPES, pH 7.8, 0.1 mg/mL BSA, 0.5 mM EDTA, and 1 mM DTT and incubated at room temperature for an additional 15 min. Next, 20 &#956;M K63-linked diubiquitin was added into the solution and incubated at 37° C. for 10 min. Laemmli sample buffer was added to quench the reaction. The reaction products were then separated on a 20% denaturing SDS-PAGE gel and stained with Coomassie Blue. USP1/UAF1 incubated with DMSO was treated as 100% USP1/UAF1 activity.
2078	1	Inhibition Assay	The inhibition of the activity of xanthine oxidase (XO) is tested through a coupled enzymatic reaction of xanthine oxidase, horseradish peroxidase (HRP) and a substrate thereof. First, xanthine oxidase oxidizes hypoxanthine to produce xanthine and hydrogen peroxide, and further oxidizes xanthine to produce uric acid and hydrogen peroxide. Then, hydrogen peroxide reacts with 10-acetyl-3,7-dihydroxyphenoxazine (Ampliflu Red) under catalytic action of horseradish peroxidase so as to produce resorufin, a compound with strong fluorescence. The fluorescence intensity of resorufin is determined by using a fluorescence microplate, which is in direct proportion to the activity of xanthine oxidase.
2079	1	Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min., the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to control reactions with no enzyme (for 100% inhibition) and controls with no inhibitor (for 0% inhibition). Dose response curves were generated to determine the concentration required for inhibiting 50% of Btk activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
2080	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA,) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light. Pim-2 kinase assay 20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2081	1	TR-FRET (Time Resolved FRET) Assay 	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Flouresence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease&#153;: 10 nM Eu-streptavidin (Perkin-Elmer Catalog# AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog # STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog # PV5593) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.After the incubation the plates were read on a BMG Pherastar Fluorescent plate reader (or equivalent) and used to measure the emission energy from the europium donor fluorophore (620 nm emission) and the FRET (665 nm emission). The negative control well values were averaged to obtain the mean minimum.
2081	2	Inhibition Assay	The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src homology), and ATP lead to phosphorylation of the peptide substrate. Biotinylated product is bound streptavidin sepharose beads. All bound, radiolabeled products are detected by scintillation counter.Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 &#956;m hydrophilic PVDF filter plates (Millipore). Concentrations reported here are final assay concentrations: 10-100 &#956;M compounds in DMSO (Burdick and Jackson), 5-10 nM Btk enzyme (His-tagged, full-length), 30 &#956;M peptide substrate (Biotin-Aca-AAAEEIYGEI-NH2), 100 &#956;M ATP (Sigma), 8 mM imidazole (Sigma, pH 7.2), 8 mM glycerol-2-phosphate (Sigma), 200 &#956;M EGTA (Roche Diagnostics), 1 mM MnCl2 (Sigma), 20 mM mgCl2 (Sigma), 0.1 mg/mL BSA (Sigma), 2 mM DTT (Sigma), 1 &#956;Ci 33P ATP (Amersham), 20% streptavidin sepharose beads (Amersham), 50 mM EDTA (Gibco), 2 M NaCl (Gibco), 2 M NaCl w/1% phosphoric acid (Gibco), microscint-20 (Perkin Elmer).IC50 determinations are calculated from 10 data points per compound utilizing data produced from a standard 96-well plate assay template. One control compound and seven unknown inhibitors were tested on each plate and each plate was run twice. Typically, compounds were diluted in half-log starting at 100 &#956;M and ending at 3 nM. The control compound was staurosporine. Background was counted in the absence of peptide substrate. Total activity was determined in the presence of peptide substrate. The following protocol was used to determine Btk inhibition.
2089	1	Radiolabel Binding Assay	A stock concentration of 5 nM [3H]LSD (lysergic acid diethyl amide) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 &#956;l of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably tranfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.
2094	1	HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window.
2094	2	HTRF Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively.
2097	1	In Vitro Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
2099	1	Enzyme Inhibition Assay 	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0; ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer; MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm).
2100	1	Binding Assay	The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Perkin Elmer, 85.4 Ci/mmol) and the human recombinant GABA A receptor containing the alpha2, beta2, and gamma3 subunits.Membranes were prepared from HEK cells expressing hGABA A alpha2beta2-gamma3 receptor, and validated to ascertain protein concentration, receptor expression and to determine the Kd of the flumazenil as well as the Ki of a standard set of compounds before being used to test new compounds.The assay was carried out in 96 well plates; testing compounds using a 10 point semi-log dilution range from 19 uM top concentration. 100 ul of radioligand and 100 ul of membrane in 50 mM Tris-HCl and 0.05% F127 with 1 ul of test compound was incubated for 2 hours to allow the reaction to achieve equilibrium, and then harvested onto filter plates, dried and counted on a TopCount NXT. The data was analysed, and the Ki values were presented as the geometric mean of at least two replicates.
2101	1	Enzyme Assay	Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffer of 50 mM KH2PO4, 50 mM NaCl, 2 mM EDTA, 0.5 mM DTT and 1% Triton-X-100, pH 6.5 for Cathepsin S and a buffer of 50 mM NaOAc, 10 mM EDTA, 1 mM DTT and 0.01% Triton-X-100, pH 5.5 for CatK/L/B. For CatS, the enzyme (0.0007 mU/well) was incubated with fluorogeninc substrate (Z-VVR-AMC, 5 &#956;M) at RT for 10 min. For CatK the enzyme (0.00175 mU/well) was incubated with fluorogeninc substrate (Z-FR-AMC, 40 &#956;M) at RT for 10 min. For CatL, the enzyme (0.000874 mU/well) was incubated with fluorogeninc substrate (Z-VVR-AMC, 40 &#956;M) at RT for 10 min. For CatB the enzyme was incubated with fluorogenic substrate (Z-VVR-AMC, 200 &#956;M) at RT for 10 min. Flourogenic substrate turnover was detected using a microplate reader (Synergyl H4, BioTek). Ki values were calculated using the Cheng Prusoff equation (Cheng & Prosoff 1973).
2103	1	Enzyme Assay 	100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitrogen Assay Buffer Q (diluted 1 in 5 with nanopure water) plus 2 mM DTT and 2 mM MnCl2) containing ATP (20 uM, Promega) and 200 uM PI-PS substrate (Invitrogen PV5122) is added followed immediately by 5 ul VPS34 reaction buffer (as above) containing VPS34 (5 nM, Millennium Protein Sciences Group) and the mixture is incubated with shaking at room temperature for 1 hour. Then 5 ul VPS34 stop-detect mix (as per Invitrogen Adapta Assay kit (PV5009) instructions (contains kinase quench buffer, TR-FRET buffer, Adapta Eu anti-ADP antibody and Alexa Fluor 647 ADP tracer)) is added to quench the reaction. The plates are then incubated for 30 minutes at room temperature with shaking and then read on a BMG PheraStar Plus reader.For the assay methods described above, test compound percent inhibition, at various concentrations, is calculated relative to control (DMSO and EDTA) treated samples. Compound concentration versus percent inhibition curves are fitted to generate IC50 values. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
2104	1	Inhibitory Activity Assay	Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. 06902 USA; Pr. No. 299F) and human factor IXa (american diagnostica inc.; Pr. No. 449b). Test substances were dissolved in buffer A (50 mM &#945;,&#945;,&#945;-tris (hydroxymethyl) methylamine (Tris), 100 mM NaCl, 5 mM CaCl2, 15% (v/v) ethylene glycol, pH 8.0) were mixed with factor IXa (0.1 &#956;g/ml final concentration). The enzyme reaction was started by addition of SPECTROFLUOR FIXa (100 &#956;M final concentration). After incubation for 60 minutes at room temperature, the reaction was stopped by the addition of 20% (v/v) acetic acid solution, and then the fluorescence value was measured (Excitation Wavelength: 355 nm, Emission Wavelength; 460 nm) in a microtiter plate reader (ARVO 1420 Multilabel Counter; PerkinElmer).The IC50 was calculated from a dilution series of the test substance with the aid of the software, Symyx Assay Explorer (Symyx Technologies, Inc.).
2106	1	Factor XIa Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8806;0.1 Km into a solution containing enzyme or enzyme equilibrated with inhibitor.
2108	1	Biological Assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1) (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.
2110	1	LanthaScreen Assay	 a) 400 nl of a 1:2.15 serial dilution of test compound (98 &#956;M top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 &#956;l of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2 (amino acids 970-2527)) enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 &#956;l of 800 nM fluorescein labeled LRRKtide peptide substrate and 186 &#956;M ATP solution in 1× assay buffer to all wells. d) After a 60 minute room temperature incubation, 20 &#956;l of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with LanthaScreen settings. Results are analysed using Assay Data Analyzer.
2112	1	In Vitro assay	The determination of IC50 of the inhibiting effect to kinase ALK 96-well plates was coated under 37&deg; C. with coating buffer (125 ul/well) overnight, and coating buffer was polypeptide substrate [Poly (4:1 Glu, Tyr) Peptide, available from SignalChem] containing 2.5 ug/well ALK kinase in PBS. Then, each well was washed with 200 ul of buffer (PBS containing 0.05% Tween 80), and placed at 37&deg; C. for at least 2 hours to dryness. Serial diluted test compounds in different concentrations (compounds prepared in any one of Examples 1 to 16, dissolved in DMSO) were added to each well in 5/well, followed by addition of kinase buffer (25 mM Hepes, pH 7.5, 5 mM MnCl2, 5 mM MgCl2), 0.3 mM ATP, and 100 ng/well recombinant human ALK (Abnova Corporation), to a total volume of 100 ul each well. After kept at 30&deg; C. for 15 minutes, the reaction mixture was removed, and washed with 200 ul of wash buffer (PBS containing 0.05% Tween 80) for 5 times.
2118	1	Fluorescence Polarisation Assay	The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, labelled (histag-Bcl-2 such that Bcl-2 corresponds to the UniProtKB primary accession number: P10415), at a final concentration of 2.50×10&#8722;8 M, is mixed with a fluorescent peptide (Fluorescein-REIGAQLRRMADDLNAQY), at a final concentration of 1.00×10&#8722;8 M in a buffer solution (Hepes 10 mM, NaCl 150 mM, Tween20 0.05%, pH 7.4), in the presence or in the absence of increasing concentrations of test compounds. After incubation for 2 hours, the fluorescence polarisation is measured.
2119	1	Radioligand Binding Assay	Human M3 receptor membranes (15 &#956;g/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without test compounds, or a saturating concentration of Atropine (5 &#956;M) for the determination of non-specific binding. The assay is carried out in 96-well polypropylene plates in a volume of 250 &#956;l. The assay buffer used is 50 mM Tris-HCl, 154 mM NaCl (pH 7.4). The final assay concentration of DMSO is 0.5% (v/v). The plates are sealed and incubated for 2 h at room temperature on an orbital shaker (slow speed). Membranes are harvested onto 96-well unifilter GF/C filter plates pre-treated with 0.5% polyethyleneimine (v/v), using a filter manifold, washed four times with 2000 of assay buffer. The plates are dried before addition of 50 &#956;l of microscint-0, sealed then read in a Trilux Microbeta scintillation counter. IC50 values are determined from competition curves using a non-linear curve fitting program. Ki values are calculated from IC50 values by the Cheng and Prusoff equation.
2119	2	HTRF assay	PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin Elmer. The assay is based on the competition between the europium (Eu) chelate-labeled cAMP tracer and sample cAMP for binding sites on cAMP-specific monoclonal antibodies (mAb) labelled with the ULight dye. The assay is carried out in 384-well low volume plates in a volume of 10 &#956;l. Human recombinant PDE4B2 (80 pM) is incubated for 2 h with 3 nM cAMP in buffer containing 1×HBSS, 5 mM HEPES, 3 mM MgCl2, 0.1% BSA, pH 7.4 with or without test compounds. The enzymatic reactions are efficiently stopped by the addition of 500 &#956;M IBMX present in the combined Stop/Detection buffer containing europium (Eu) chelate-labeled cAMP tracer and cAMP-specific monoclonal antibodies (mAb) labelled with the ULight dye. Samples are then further incubated for 1 h before plates are read at ex 340 nm and em at 665 nm and 615 nm on an EnVision reader. IC50 values are determined from competition curves using a non-linear curve fitting program.
2120	1	Binding Assay	In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. African green monkey kidney fibroblast-like cell line, COS-7 (ATCC, #CRL-1651) was seeded in a 48-well plate at a density of 2.5×104 cells/well, and cultured for 24 hours. Then, a plasmid hAR-mixed medium was added thereto. The transfected cell line was treated with 1 nM of [3H]MIB and 0.1 10,000 nM of SARM derivatives, and then allowed to react for 2 hours. Thereafter, the cells were lysed and the amount of [3H]MIB bound to the intracellular androgen receptors was measured using a radiation dosimeter.
2121	1	Radiometric Filter Plate Assay	200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 &#956;M inactive MKK7b (Dundee, DU703) in the presence of 2 &#956;M cold ATP (Km) and 0.5 &#956;Ci/assay 33P ATP and appropriate concentrations of compounds. After a twenty minute incubation, the reactions were washed through filter plates and read on a scintillation counter.
2122	1	Radioligand Binding Assay	Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligand binding domain (LBD) in the presence of radiolabeled LXR ligand [3H]T0901317. The amount of the LXR-LBD that complexed with [3H]T0901317 was measured by scintillation proximity assay (SPA) employing non-specific binding of LXR-LBD to poly-lysine coated Yttrium silicate beads. Partially purified LXR &#945; or &#946; LBD protein (15-45 nM) was incubated at rt for 30 min with 15 nM [3H]T0901317 (25-40 Ci/mmol) and different concentrations of test compounds in 80 &#956;L of phosphate buffered saline (PBS) buffer containing 2.5% DMSO, 1% glycerol, 2 mM EDTA, 2 mM CHAPS and 5 mM DTT in 96-well plates. Poly-lysine SPA beads (50 &#956;g) were added to each well and the total volume was adjusted to 120 &#956;L. The plates were shaken on an orbital shaker for 20 min and then allowed to settle for 10 more minutes at rt before a brief centrifugation at 2,000 rpm for 1 min. The SPA signal was measured on a MicroBeta liquid scintillation counter (Perkin Elmer, Waltham, MA), and the results were used for calculating IC50 values based on the total binding (DMSO control) and non-specific binding (5 &#956;M of unlabeled T0901317) controls.
2126	1	cAMP Assay 	Cells plated the day prior to the assay in clear bottom plates were viewed on an inverse microscope to ensure confluency in the range of 60-75%. The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15630-056) and 0.1% BSA (7.5% stock, Invitrogen Cat#15260-037); (b) Buffer 2: 0.5 mM IBMX (200 mM stock in DMSO, Sigma 15879) in Buffer 1; (c) 1 &#956;M cAMP Standard (50 &#956;M stock, Perkin Elmer Cat# AD0262) diluted in Buffer 2 and serially diluted in Buffer 2, 12 doses @ dilutions resulting in a dose range of 1 &#956;M to 0.5 nM; (d) d2 labelled cAMP (CisBio HTRF Detection Kit Cat #62AM4PEB reconstituted with 6 mL d-H2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); (e) anti-cAMP (CisBio HTRF Detection Kit Cat # 62AM4PEB reconstituted with 5 mL d-H2O) diluted 1/20 with lysis buffer (CisBio HTRF Detection Kit Cat #62AM4PEB); and (f) Forskolin (Sigma Cat# F6886, 10 mM in DMSO) diluted first in DMSO to 1 mM and then to 1.5 &#956;M in Buffer 2.
2131	1	Fluorescence Polarization (FP) Assay	In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). 
2132	1	Inhibition Assay	Method 1: Recombinant human factor D (expressed in E. coli and purified using standard methods) at 10 nM concentration is incubated with test compound at various concentrations for 1 hour at room temperature in 0.1 M Hepes buffer, pH 7.5, containing 1 mM MgCl2, 1 M NaCl and 0.05% CHAPS. A synthetic substrate Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine are added to final concentrations of 200 &#956;M and 25 &#956;M, respectively. The increase in fluorescence is recorded at excitation of 485 nm and emission at 535 nm in a microplate spectrofluorimeter. IC50 values are calculated from percentage of inhibition of complement factor D-activity as a function of test compound concentration.
2133	1	Kinase Inhibition Assay	Kinase inhibition can be determined using an IMAP assay (Molecular Devices). This assay method involves the use of a fluorescently-tagged peptide substrate. Phosphorylation of the tagged peptide by a kinase of interest promotes binding of the peptide to a trivalent metal-based nanoparticle via the specific, high affinity interaction between the phospho-group and the trivalent metal. Proximity to the nanoparticle results in increased fluorescence polarization Inhibition of the kinase by a kinase inhibitor prevents phosphorylation of the substrate and thereby limits binding of the fluorescently-tagged substrate to the nanoparticle. Such an assay can be compatible with a microwell assay format, allowing simultaneous determination of IC50 of multiple compounds.
2134	1	Scintillation Proximity Assay (SPA)	The PDE4B and 4D assays use scintillation proximity assay (SPA) technology to measure the inhibition of human recombinant PDE4B and PDE4D enzyme activity by compounds in vitro. The PDE4B and 4D assays are run in parallel using identical parameters, except for the concentration of enzyme (32 pM PDE4B and 16 pM PDE4D). The assays are performed in a 384-well format with 50 &#956;L assay buffer (50 mM Tris pH 7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE4B and PDE4D to convert 20% of substrate (1 &#956;M cAMP consisting of 20 nM 3H-cAMP+980 &#956;M cold cAMP) and a range of inhibitors. Reactions are incubated for 30 min at 25° C. The addition of 20 &#956;L of 8 mg/mL yitrium silicate SPA beads (PerkinElmer) stops the reaction. The plates are sealed (TopSeal, PerkinElmer) and the beads are allowed to settle for 8 hrs, after which they are read on the Trilux Microbeta overnight.
2135	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kinase activity of a compound of Formula (III). Serial dilutions of test compounds were incubated with either human recombinant FGFR1 (0.5 nM), FGFR2 (0.1 nM, FGFR3 (0.9 nM), or FGFR4 (2 nM), ATP (FGFR1: 100 &#956;M; FGFR2: 75 &#956;M; FGFR3: 120 &#956;M; FGFR4: 250 &#956;M) and a phosphoacceptor peptide substrate FAM-KKKKEEIYFFF-CONH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper LabChip 3000. Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated. 
2142	1	Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK-1 inhibition is performed in 384-well format based on luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK1 (0.3 g/ml) and serial diluted compounds in DMSO (range of concentration from 10 &#956;M to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%. The kinase reaction is then initiated by the addition of ATP at a concentration of 1&#956;M. After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a luminometer (PerkinElmer Envision or equivalent reader).
2142	2	Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International). Measurement of IRAK-4 inhibition is performed in 384-well format based on a luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK4 (0.3 &#956;g/ml) and serial diluted compounds in DMSO (range of concentration from 10 &#956;M to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%, MnCl2 5 mM. The kinase reaction is then initiated by the addition of ATP (2 &#956;M) and the peptidic substrate STK1-biotin peptide (300 nM). After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a plate-reading luminometer (PerkinElmer Envision or equivalent reader).
2143	1	Kinase Assay	The inhibitory effect of the compounds of the present invention on the activity of c-Met was confirmed as follows.Specifically, 250 &#956;M G4Y1 peptide, which serves as a substrate for c-Met enzyme (2 ng/&#956;L), and 50 &#956;M ATP were subjected to an enzyme reaction in a reaction buffer (40 mM Tris-HCl (pH 7.5), 20 mM MgCl2, 0.1 mg/mL bovine serum albumin, and 50 &#956;M DTT). The compounds prepared in Examples and comparative compounds were treated at various concentrations and reacted at room temperature for 1 hour, sequentially added with ADP-Glo Reagent and the Kinase detection reagent, and reacted at room temperature for 40 minutes and 30 minutes, respectively.
2144	1	Biochemical Assay	IC50 values of test compounds were determined with an enzyme activity assay using the C-domain of MALT1 (amino acids 329-824). The readout parameter is the increase of fluorescence lifetime over time, proportional to enzyme activity.The assay employs a short peptide substrate labeled with the single fluorophore PT14 as a fluorescence lifetime probe sensitive to the cleavage state of the substrate (PT14: 6-(9-oxo-9H-acridin-10-yl)-hexanoate, AssayMetrics, UK). The peptide substrate has the following sequence: Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 (Product number BS-9117, Biosyntan, Germany, N-terminus to C-terminus from left to right in three letter code, Ac: acetyl group, Cys(PT14): cysteine residue with the fluorophore PT14 conjugated to the cysteine sulfhydryl group via a maleimide group; C-terminus of the peptide is amidated; within the substrate sequence written above, ^ indicates the scissile bond). The assay buffer consists of 200 mM Tris/HCl at pH 7.5, 0.8 M Na citrate, 100 &#956;M EGTA, 100 &#956;M DTT and 0.05% (w/v) CHAPS. The kinetic characterization of the enzymatic reaction led to the determination of a Michaelis Constant (KM) of 40 &#956;M and a kcat value of 34 s&#8722;1. The assay was established for the 384-well plate format using black microtiter round well plates (Product number 95040020, Thermo Electron Oy, Finland). Test compounds were dissolved in 100% (v/v) DMSO or a mixture containing 90% (v/v) DMSO and 10% (v/v) H2O at a stock concentration of 100 mM. Serial dilutions of test compounds were prepared using either 100% (v/v) DMSO or a mixture containing 90% (v/v) DMSO and 10% (v/v) H2O.
2149	1	Functional Activity Assay	TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX calls Prolink (PK) ; additionally, Shcl is fused with a larger fragment, which is called Enzyme Acceptor (EA) . Activation of the TrkA receptor, upon NGF addition, results in the kinase domain being phosphorylated, resulting in subsequent recruitment of Shcl-EA protein. That recruitment results in an active B-galactosidase enzyme that is detected by addition of a chemiluminescent substrate. The human p75NTR protein was also expressed as a co-receptor for NGF.All reagents were purchased from DiscoverX, except for the receptor agonists (NGF, BDNF, NT3) which were purchased from Peprotech. Cells were expanded and frozen into cryovials, and stored in the vapor phase of liquid nitrogen, and thawed immediately before use. Thawed cells were added to a 384-well plate at 7500 cells/well, and allowed to incubate overnight. Compound at various concentrations was added the following morning and allowed to incubate on cells for 1 h. Then, NGF was added at a concentration sufficient to elicit 80% of a maximal response and allowed to incubate for 3 h at ambient temperature. 
2150	1	Fluorescent Polarization Binding (FP Binding) assay	Assay was performed in polystyrene low volume 384-well black plate, at Room Temperature (RT) in a final volume of 10.1 &#956;l/well using 10 nM of GST-hRIPK1 (8-327) enzyme and 5 nM of fluorescent labeled ligand (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino) propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2&#8243;,3&#8243;]indolizino[8&#8243;,7&#8243;:5&#8242;,6]pyrano[3&#8242;,2&#8242;:3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate.Test Compounds were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final). In each well of a 384-well Plate were dispensed 0.1 &#956;L of compound solution (or DMSO for controls) followed by 5 &#956;L of GST-hRIPK1 (8-327) at twice the final concentrations in assay buffer (50 mM HEPES pH 7.5, 10 mM NaCl, 50 mM MgCl2, 0.02% CHAPS, 0.5 mM DTT and 0.01% Pluronic F127). For negative control the enzyme addition was replaced by assay buffer only.
2150	2	FP Binding assay	ollowing this reaction, 10 uL of ADP-Glo reagent (Promega) was added to each well and incubated for 40 min at room temperature. This stops the kinase reaction and depletes any remaining ATP. 20 uL of ADP-Glo detection reagent was then added to each well and incubated at room temperature for at least 15 minutes.
2151	1	Inhibition Assay	Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. 
2152	1	BCA Protein Assay	Escherichia coli BL21*DE3 pET30a-Ec yeaWX #1 (Ec YeaWX) strain was generated as described below. The contiguous Escherichia coli coding sequence yeaW (equivalent to uniprot ID P0ABR7.1 (YeaW) (SEQ ID NO: 2)) and yeaX (equivalent to uniprot ID P76254.1 (YeaX) (SEQ ID NO: 3)) were PCR amplified from Escherichia coli strain K-12 substr. BW25113 genomic DNA. PCR primers (YeaW_Nde I_fwd2-SEQ ID NO: 4; YeaX_rev2-SEQ ID NO: 5) were designed to create a 5&#8242; NdeI restriction site including the ATG start codon of yeaW and create a PstI restriction site just 3&#8242; of the yeaX TAG stop codon.The bacteria were grown aerobically in 50 mL LB broth (Difco #244620; 10 g/L Tryptone, 5 g/L yeast extract, 10 g/L NaCl, 50 &#956;g/mL kanamycin), in a 500 mL Erlenmeyer flask. The cultures were inoculated from glycerol stock of BL21*DE3 pET30a-Ec yeaWX #1 strain. Strains were cultured all day at 37° C. with 250 rpm shaking. Two 300 mL Minimal M9 Medium (6 g/L Na2HPO4, 3 g/L KH2PO4, 0.5 g/L NaCl, 1 g/L NH4Cl, 0.1 mM CaCl2, 1 mM MgSO4, 0.2% Dextrose, 1 mg/L Thiamine, 50 &#956;g/mL kanamycin), in 1 L Erlenmeyer flasks, were inoculated with 5 mL of the LB broth day culture and cultured overnight at 37° C. with 250 rpm shaking. The overnight cultures were used to inoculate twelve 1 L cultures of Minimal M9 media in 2.8 L fluted Erlenmeyer flasks to an OD 600 nm of 0.05 (typically approximately 28 mLs), which were grown at 37° C. with 250 rpm shaking until an OD600 of approximately 0.4 was reached. Expression of YeaWX was induced with 1 mM IPTG and the induced cultures were further grown overnight at 37° C. with 250 rpm shaking. The biomass was pelleted by centrifugation at 6000×g for 12 minutes at 4° C. The cell pellet was suspended in 240 mL of ice-cold 1× Phosphate Buffered Saline (Ca2+ and Mg2+ free). Ninety micrograms of Lysozyme (Sigma #L6876 Lot #SLBG8654V; Sigma-Aldrich Corp., St. Louis, Mo.) was added and incubated with 320 rpm shaking for 30 minutes at 4° C. Lysis was achieved via French press with a 4° C. prechilled 1&#8243; diameter chamber at 1000 psi (high ratio; internal PSI equivalent 16000). The lysate was centrifuged at 6,000×g for 12 minutes at 4° C. to pellet extra debris. Glycerol was added to the centrifuged lysate supernatant at a final concentration of 15% A protein concentration of the centrifuged lysate supernatant was determined by a BCA Protein Assay Kit (Pierce #23225), typically in the 2.5 to 4.5 mg/ml range. The centrifuged Ec YeaWX lysate supernatant was aliquoted into 20 mL volumes and stored frozen at &#8722;80° C.Ec YeaWX lysate was diluted to 2.0 mg/mL protein with 1× Dulbecco&#39;s phosphate buffered saline (DPBS) plus 15% glycerol. Nicotinamide adenine dinucleotide phosphate (NADPH) was added to 250 &#956;M. One hundred and fifty microliters of Ec YeaWX lysate was dispensed into a deep-well plate (polypropylene, 2 mL volume, Corning Axygen catalogue #P-DW-20-C). Candidate IC50 compounds from TABLE 1 and vehicle control (respective vehicle control of DMSO or water), or control compounds (IC50 control, 8-Quinolinol hemisulfate salt (Sigma Catalog #55100)) were added at a 1:100 dilution (e.g., 1.5 &#956;L per well). The plates were agitated on a plate shaker for 1 minute. d9-carnitine chloride (1.5 &#956;L of 5 mM) was added to all wells to reach a final d9-carnitine chloride concentration of 50 &#956;M.
2155	1	LC-MS Based In Vitro Assay	hAC protein preparation (10 &#956;g) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 0.1% Nonidet P-40, 150 mM NaCl, 3 mM DTT, 100 mM sodium citrate, pH 4.5) for 30 min at 37° C. Reactions were started by the addition of 50 &#956;M N-lauroyl ceramide (Nu-Chek Prep, Elysian, Minn.) and carried on for 30 min at 37° C. Reactions were stopped by addition of a mixture of chloroform/methanol (2:1) containing 1 nmol 11-lauroleic acid (NuChek Prep). The organic phases were collected, dried under nitrogen and analyzed by UPLC/MS (Acquity, Waters). In the negative-ion mode monitoring the reaction product (lauric acid, m/z=199) using 11-lauroleic acid as internal standard.Lipids were eluted on an Acquity UPLC BEH C18 column (50×2.1 mmID, particle size 1.7 &#956;m), column flow at 0.5 mL/min for 1.5 min with a gradient of acetonitrile and water, both containing 0.25% acetic acid and 5 mM ammonium acetate (70% to 100% acetonitrile in 0.5 min, 100% acetonitrile for 0.5 min, 70% acetonitrile for 0.4 min). The column temperature was 40° C. Electrospray ionization (ESI) was in the negative mode, capillary voltage was 1 kV and cone voltage was 50 V. N2 was used as drying gas at a flow rate of 500 L/h and at a temperature of 400° C.The [M-H]&#8722; ion was monitored in the selected-ion monitoring mode (m/z values: lauric acid 199, 11-lauroleic acid 197.35). Calibration curves were generated with authentic lauric acid (Nu Check Prep). Inhibition of AC activity was calculated as reduction of lauric acid in the samples compared to vehicle controls. IC50 values were calculated by non-linear regression analysis of log [concentration]/inhibition curves using GraphPad Prism 5 (GraphPad Software Inc., CA-USA) applying a standard slope curve fitting.
2156	1	Assay in WO 2010 115836	Assay is described in WO 2010 115836.
2157	1	FGFR3 Enzymatic Assay	The inhibitor potency of compounds of the invention was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. A 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated peptide and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/ml BSA, pH 7.8; added fresh 30 mM EDTA and Perkin Elmer Lance Reagents for HTRF at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response.
2166	1	TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay	TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.
2168	1	Biological Assays-Inhibition of LSD1	Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective inhibitor (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor.The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The IC50 value of each inhibitor was calculated with GraphPad Prism Software.
2170	1	Protective Effects of Compounds on Primary Cerebellum Granule Cells of Rats	Isolated primary cerebellum granule cells of infant rats were inoculated in 96-well plates with 1.2×105/well by using 10% FBS+25 mM KCl+2 mM Glutamine+1% of double-antibody BME medium. After 24 hours, cytarabine with a final concentration of 10 iM was added to inhibit the proliferation of neurogliocyte cells. After the day 4, glucose with the final concentration of 5 mM was added every four days to complement energy metabolism and water evaporation of cells. The materials were placed in a cell incubator (37° C., 5% CO2) to be cultured for 10 days. A 200 iM of glutamate was used to induce the excitotoxic injury of the primary cerebellum granule cells, with test groups of normal control group, glutamate group, pretreatment groups with different memantine nitrate compounds, and pretreatment control group with memantine. In the testing groups, the compounds of NM-001, NM-002, NM-003, NM-004, NM-005, NM-008, NM-009, NM-011, NM-012 and memantine were respectively added. After pre-protection for 2 h, 200 iM of glutamate was added to induce cell damage for 24 h, and then MTT was added to culture for 4 h. The supernatant fraction was sucked, and 150 iL of DMSO was added to each well for dissolving. After blending with shaking, the light absorption values under 570 nm wavelength was measured with a microplate reader, and the viability of cells was calculated. Cell viability (%)=absorbance of different groups/absorbance of the normal control group×100%.
2171	1	Lactate Transport in MCT4-Expressing MDA-MB-453 Breast Cancer Cells	MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring the intracellular pH change that accompanies lactate/proton symport, using the pH-sensitive fluorescent dye 2&#39;,7&#39;-bis-(carboxyethyl)-5(6)-carboxyfluorescein (BCECF), in a manner similar to that previously reported for MCT1 and MCT4. The following is an exemplary procedure for assaying MCT4 activity of the compounds of Formula (I).
2171	2	MCT4-Mediated Lactate Transport in NCI-H358 Lung Adenocarcinoma Cell	NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
2171	3	MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells	MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those with skill in the art. Preparation of BCECF loaded cells are as described for Assay 1. Lactate transport assay is as described for Assay 1, except 10 mM L-lactate (rather than 50 mM) is added.
2171	4	MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells	MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. MCT4 activity may be assessed by monitoring the intracellular pH change that accompanies lactate/proton symport, using the pH-sensitive fluorescent dye 2&#8242;,7&#8242;-bis-(carboxyethyl)-5(6)-carboxyfluorescein (BCECF), in a manner similar to that previously reported for MCT1 and MCT4. The following is an exemplary procedure for assaying MCT4 activity of the compounds of Formula (I).
2172	1	Per2 Assay	Compounds were screened by using a high-throughput circadian assay system as previously described in Zhang, E. E. et al. Cell, 2009, 139, 199-210. In brief, stable U20S reporter cells harboring Per2-dLuc were plated at a density of 30,000 cells/well in Corning 96-well, solid white, flat bottom, TC-treated microplates (Corning), and incubated for 48 hours at 37° C. in the presence of 5% CO2 in a medium of Dulbecco&#39;s Modified Eagle Medium (DMEM) supplemented with 10% fetal bovine serum (FBS) and penicillin (100 units/mL)-streptomycin (100 &#956;g/mL). Compounds of formula I are solubilized in dimethylsulfoxide (DMSO), typically at a concentration of 2 mg/mL. DMSO stocks are then serially diluted in DMSO, typically diluting 3-fold for each dilution step. Following the 48 h period, cell culture medium is removed from plated cells and cells are synchronized with 200 &#956;L/well of complete cell culture medium (described above), supplemented with 5 &#956;M forskolin (Tocris) and 1 mM beetle luciferin (Promega). Immediately following synchronization, 1 &#956;L of compound dilution is added to each well. Plates are sealed, shaken briefly, and gene expression was monitored by measuring luminescence (Tecan Infinite M200 or Tecan Infinite M200 Pro) continuously for a minimum of 3 days at 35° C. Raw luminescence data (counts) are first analyzed using Multicycle software (Actimetrics, Inc.) to determine the amplitude (amp), period, and phase (phz) for each compound concentration. The period length for control wells (i.e. no compound, DMSO only) should be 26-30 h. Amp data are then plotted against the logarithm compound concentration (M) and analyzed by nonlinear regression analysis to determine the EC50.
2179	1	Nav1.7 and Nav1.5 Screening Assay	Cell LinesStable cell lines expressing the full-length protein of the voltage-gated sodium channels Nav1.7 or Nav1.5, with or without one beta-1, beta-2, beta-3, or beta-4 subunit, are created by transfected CHO cells or HEK293 cells, or any other suitable cell line, with a vector construct containing the complete open reading frame under a suitable promoter, as well known in the art.In Vitro ElectrophysiologyElectrophysiological studies are performed with an IonWorks Quattro (Molecular Devices Corp.) automated patch-clamp electrophysiology platform as described by (Schroeder K et al. Journal of Biomolecular Screening 2003, 8 (1), 50-64). Buffers for the experiments have the following composition (mM): Internal solution; K-gluconate 100, KCl 40, MgCl2 3.2, HEPES 5, EGTA 3, pH 7.3. To this amphotericin B is added to final concentration of 0.1 mg/ml to generate access solution. External solution; Dulbecco&#39;s Phosphate buffered saline (D-PBS) NaCl 137.93, KCl 2.67, KH2PO4 1.47, Na2HPO4 8.06, CaCl2 0.90, MgCl2 0.49. Prior to the experiment the cells expressing the voltage-gated ion channel of interest are detached from the tissue culture flasks, centrifuged and resuspended in D-PBS. Compounds are prepared and serially diluted in DMSO and finally diluted 1:100 in D-PBS. Cells are exposed to compounds through the pipetting system integrated into the platform and the voltage-gated ion channel of interest is activated with specific voltage stimulation protocols. The following voltage stimulation protocol is used for testing compounds against the voltage-gated sodium channel Nav1.7; from a holding potential of &#8722;100 mV a train of eight 60 ms depolarising steps to &#8722;20 mV at a frequency of 14 Hz are employed followed by a further step to &#8722;20 mV for 2000 ms. After which the voltage is returned to &#8722;100 mV for 10 ms before another voltage step to &#8722;20 mV for 60 ms is applied. The following voltage stimulation protocol is used for testing compounds against the voltage-gated sodium channel Nav1.5; from a holding potential of &#8722;120 mV a train of twenty-six 120 ms depolarising steps to &#8722;20 mV at a frequency of 5 Hz are employed. Recordings are made before and after compound addition with the compound incubation time being 5 minutes.Percent block was calculated for each concentration in duplicate for peak 1 and peak 10 and peak 1 and 25 for Nav 1.7 and Nav 1.5 respectively in order to assess compound activity at close and inactivated states and IC50 curves were fitted to percent block as a function of concentration.
2180	1	Caliper Kinase Assay	The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of purified protein kinase with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 30 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The ATP was used at a final concentration equivalent to the Km and the peptide substrate concentration was 1.5 &#956;M. Dose response curves were generated to determine the concentration required to inhibit 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
2181	1	Factor XIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at rt or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and he synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.1 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. Initial velocities of product formation in the absence (Vo) or presence of inhibitor (Vi) were measured. Assuming competitive inhibition, and that unity is negligible compared Km/[S], [I]/e, and [I]/e (where [S], [I], and e respectively represent the total concentrations, of substrate, inhibitor and enzyme), the equilibrium constant (Ki) for dissociation of the inhibitor from the enzyme can be obtained from the dependence of Vo/Vi on [I] shown in the following equation. 
2181	2	Kallikrein Assay	The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at rt or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma Kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.2 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. The reactions were performed under linear progress curve conditions and fluorescence increase measured at 405 Ex/510 Em nm. Values were converted to percent inhibition of the control reaction (after subtracting 100% Inhibition value). IC50 was determined by inflection point from a four parameter logistic curve fit. Ki was calculated using the Cheng Prusoff equation, Ki=IC50/(1+([S]/Km)).
2183	1	Determination of the Effects of the Compounds of the Present Invention on FGFR Kinase Activity	The following assay was used to determine the inhibition rate of the preferred compounds of the present invention to the kinase activity of the recombinant human FGFR protein in vitro conditions. This assay used Cisbio&#39;s HTRF KinEASE-TK tyrosine kinase kit (Cat. No. 62TK0PEB), through determining the degree of phosphorylation of the biotinylated polypeptide substrate, the determination was carried out by time-resolved fluorescence energy resonance transfer method (TF-FRET). Human FGFR protein was purchased from Carna bioscience (Japan, Cat. No. FGFR1#08-133, FGFR2#08-134, FGFR3#08-135, FGFR4#08-136).For detailed assay, please refer to the kit instructions, the experimental procedure was summarized as follows: the compound of the present invention was first dissolved in DMSO, the solution was subjected to gradient dilution with the buffer solution provided in the kit so that the range of the final concentration of the compound to be tested in the reaction system was 10 &#956;M to 0.1 nM, the final concentration of DMSO was 0.1%. The concentration of the tested adenosine triphosphate (ATP) was the pre-determined Km value corresponding to the ATP of each FGFR subtype. The compound was first incubated with a certain amount of FGFR protein at room temperature for 5 to 30 minutes, followed by the addition of ATP and the biotinylated polypeptide substrate to the reaction solution to initiate the phosphorylation reaction, and the mixture was incubated at room temperature for 50 minutes. Subsequently, an antiphosphorylated tyrosine antibody coupled with a compound containing europium-based element and streptavidin coupled with a modified allophycocyanin XL665 were added to the reaction and the mixture was incubated continuously for 1 hour at room temperature. After incubation, the fluorescence intensity of each well at emission wavelengths of 620 nM and 665 nM were read at the excitation wavelength of 304 nm in the TF-FRET mode of the microplate reader.
2189	1	Inhibition of HIV Replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson Va., Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990).
2196	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay for Direct cAMP Measurement	The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer&#39;s instructions, in 20 &#956;L total volume per well in 384-well plate format (ProxiPlates; PerkinElmer, Fremont, Calif.; catalog #6008280). To each of the experimental wells was transferred 3000 recombinant CHO-K1 cells in 5 &#956;L assay buffer (phosphate buffered saline containing calcium chloride and magnesium chloride (Invitrogen, Carlsbad, Calif.; catalog #14040) supplemented with IBMX (100 &#956;M) and rolipram (10 &#956;M) (phosphodiesterase inhibitors; Sigma-Aldrich, St. Louis, Mo.; catalog #15879 and catalog #R6520, respectively) and 0.1% bovine serum albumin (BSA) fraction V (Sigma-Aldrich; catalog # A3059)), followed by test compound in 5 &#956;L assay buffer or 5 &#956;L assay buffer. The plate was then incubated at room temperature for 1 h. To each well was then added 5 &#956;L cAMP-d2 conjugate in lysis buffer and 5 &#956;L Cryptate conjugate in lysis buffer according to the kit manufacturer&#39;s instructions. The plate was then further incubated at room temperature for 1 h, after which the assay plate was read.
2196	2	Human Platelet Aggregation Inhibition Test	Blood collected from healthy human volunteers in aqueous trisodium citrate solution was centrifuged at 150 g for 15 min and the upper layer was recovered to obtain platelet-rich plasma (PRP). The residual blood was centrifuged at 3000 g for 10 min and the supernatant was collected as platelet-poor plasma (PPP). Platelet concentration in the PRP was determined using the Z series Beckman Coulter particle counter (Beckman, Fullerton, Calif.) and adjusted to 250,000 platelets/&#956;L using PPP. 480 &#956;L of PRP was pre-incubated at 37° C. and stirred at 1200 rpm with 10 &#956;L aqueous test compound solution for 1 min prior to induction of aggregation by the addition of 10 &#956;L of aqueous adenosine diphosphate (ADP) solution to adjust the final ADP concentration in the PRP to 1×10&#8722;5 M. The maximal amplitude of aggregation response within 3 min was determined and measured in triplicate using the Chronolog model 490 aggregometer (Chrono-log Corp., Havertown, Pa.). Percent inhibition of aggregation was calculated from the maximum decrease in optical density of the control (addition of water in place of the test compound solution) sample and of the samples containing test compound
2209	1	TR-FRET PI3K Beta Assay	Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2× Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 &#956;M, and PI3K&#947; at 2 nM. The compounds were added to the assay solution and incubated for 30 minutes at 25° C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 500 &#956;s read window).The results were normalized based on positive (1 &#956;M wortmanin) and negative (DMSO) controls, and the IC50 values for PI3K &#945;, &#946;, &#948;, and &#947; were calculated from the fit of the dose-response curves to a four-parameter equation. These assays generally produced results within 3-fold of the reported mean. As shown in Table 1, the compounds provided herein are inhibitors of PI3K&#946;.
2220	1	The [3H]-methyllycaconitine binding assay	Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulphonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4° C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000×g, 4° C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000×g, 4° C., 10 min). The two supernatants are combined and centrifuged (15 000×g, 4° C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is suspended in, binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and the suspension is centrifuged (15 000×g, 4° C., 30 min), twice.The residue is resuspended in binding buffer and incubated in a volume of 250 (amount of membrane protein 0.1-0.5 mg) in the presence of 1-5 nM [3H]-methyllycaconitine 0.1% (w/v). BSA (bovine serum albumin) and various concentrations of the test substance at 21° C. for 2.5 h. Incubation is then carried out in the presence of 1 &#956;M &#945;-bungarotoxin or 100 &#956;M nicotine or 10 &#956;M MLA (methyllycaconitine).The incubation is stopped by adding 4 ml PBS (20 mM Na2HPO4, 5 mM KH2PO4, 150 mM NaCl, pH 7.4, 4° C.) and filtering through type A/E glass fibre filters (Gelman Sciences) which have previously been placed in 0.3% (v/v) polyethyleneimine (PEI) for 3 h. The filters are washed twice with 4 ml of PBS (4° C.), and the bound radioactivity is determined by scintillation measurement. All the assays are carried out in triplicate. The dissociation constant Ki of the test substance was determined from the IC50 of the compounds (concentration of the test substance at which 50% of the ligand bound to the receptor is displaced), the dissociation constant KD and the concentration L of [3H]-methyllycaconitine using the equation Ki=IC50/(1+L/KD).
2222	1	MPO Chlorination Assay (APF Assay)	MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catalog #A36003). APF is cleaved by ( OCl) to yield the fluorescent compound fluorescein. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 120 mM NaCl to 100 nL inhibitor in 100% DMSO in a 384 well, non-binding surface clear bottom plate (CORNING #3655). Enzyme, inhibitor, and chloride were preincubated for ten minutes at room temperature.After the ten minute preincubation, 25 &#956;L of an APF mixture containing 10 mM APF, 120 mM NaCl and 10 &#956;M H2O2 was added to the plate using the internal dispensing system of a Hammatsu FDSS 6000. Kinetic determinations were carried out immediately on the FDSS 6000 (3 minute kinetic read, 1 read every second, ex: 485 nm, em: 535 nm). IC50 values for inhibitors were calculated by taking the slope of the linear portion of the kinetic measurement (20 seconds to 80-120 secs).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) D where A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor. 
2222	2	MPO Peroxidation Assay (Amplex Red Assay)	MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog # A12222) which can be oxidized to the highly fluorescent resorufin. Amplex Red is oxidized by the peroxidase action of MPO to resorufin. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 40 nM H2O2(Sigma #349887) to 100 nL inhibitor in 100% DMSO in a 384 well Perkin Elmer Optiplate. Enzyme and compound were preincubated for ten minutes at room temperature.After the ten minute preincubation, 25 &#956;L of an Amplex Red mixture containing 200 &#956;M Amplex Red and 10 mM H2O2 was added to the plate. Kinetic determinations were carried out immediately on a Perkin Elmer Envision (15 minute kinetic read, Ex: 535 nm, Em: 590 nm).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) D where A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor. 
2223	1	TBD	TBD
2223	2	TBD	TBD
2223	3	TBD	TBD
2223	4	TBD	TBD
2224	1	In Vitro Enzyme Activity Assay	These compounds according to the afore-mentioned examples were tested for tryptophan hydroxylase (TPH) inhibitory activity in a fluorescence-based in vitro assay, using recombinant human TPH1 (Swiss-Prot: P17752) and TPH2 (Swiss-Prot: Q8IWU9).The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) and transformed into SCS1 (Stratagene, CA, USA) to amplify plasmid DNA. For the overexpression of TPH proteins, the constructs were transformed into Rosetta (DE3) (Novagen /EMD Millipore, MA, USA) and cultivated in terrific broth (TB) medium (AppliChem, Darmstadt, Germany) at 37° C. When the bacterial cultures reached an OD600&#8776;2, expression was induced with 0.5 mM IPTG (AppliChem, Darmstadt, Germany) over night at 17° C. The purification of soluble proteins started with sonication-mediated cell disruption in lysis buffer (1×PBS pH 7.4, 0.5 M NaCl, 5% Glycerol+CHAPS, DTT, PMSF, benzonase), followed by affinity purification (MBPTrap, GE Healthcare, UK) and gel filtration (26/60 Superdex 200 prep grade, GE Healthcare, UK), according to the manufacturer&#39;s protocol. The quality of protein expression and solubility was controlled by SDS-PAGE and Coomassie blue staining.The enzymatic reaction was carried out in black 96-well flat bottom plates (Corning GmbH, Wiesbaden). TPH1 and TPH2 activities were measured in a reaction mixture containing 50 mM 4-Morpholineethanesulfonic acid (MES), pH 7.0, 40 &#956;M tryptophan, 200 mM ammonium sulfate, 25 &#956;M ferrous ammonium sulfate, 50 &#956;M tetrahydrobiopterin, 25 &#956;g/ml catalase, and 7 mM DTT. The reactions were initiated by adding TPH1 or TPH2 to a final concentration of 5 &#956;g/ml. Initial velocity of the reactions was determined by following the change of fluorescence at 330 nm (excitation wavelength=300 nm) (Infinite M200, Tecan, Crailsheim).TPH1 and TPH2 inhibition was determined by measuring a compound dose response, using a serial dilution of a 5 mM DMSO stock solution. The potency of a given compound was calculated in GraphPad PRISM 6 software (San Diego, USA) with a Nonlinear Regression fit (log(inhibitor) vs. response-variable slope) using the relative fluorescence units (RFU) of the sample triplicates.
2226	1	3H-SB222200 Binding Competition Assay with Human NK-3 Receptor3H-SB222200 Binding Competition Assay with Human NK-3 Receptor	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973) (see results in table 2 below).
2226	2	3H-SB222200 Binding Competition Assay with Human NK-1 Receptor	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
2226	3	3H-SB222200 Binding Competition Assay with Human NK-2 Receptor	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
2226	4	hERG Inhibition Assay 	The determination of plasma protein binding (PPB) of a compound is enabled by equilibrium dialysis, an accepted and standard method for reliable estimation of the non-bound drug fraction in plasma. RED (Rapid Equilibrium Dialysis) device insert is made of two side-by-side chambers separated by an O-ring-sealed vertical cylinder of dialysis membrane (MWCO 8,000). Plasma containing drug (at 5 &#956;M or blood concentrations otherwise corresponding to efficacious doses, if known) is added to one chamber while buffer is added to the second. After 4 hours incubation at 37° C. under shaking, an aliquot is removed from each chamber and analyzed by a LC-MS/MS procedure enables the determination of both free and bound drug.The percentages provided in Table 4 represent, for the compounds of the invention, the bound drug fraction to the plasma protein. The free fraction may be calculated as 100%&#8722;% rPPB (i.e. the complementary percentage of that disclosed in Table 4, corresponding to the drug concentration that is unbound and therefore available to engage biological target and elicit pharmacological activity).
2227	1	HCV Replicon Luciferase Assay	To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with HCV replicon cells (50 &#956;L at a density of 2.4×103 cells/well) in DMEM containing 4% FBS (final DMSO concentration at 0.5%). After 3 days incubation at 37° C., cells were analyzed for Renilla Luciferase activity using the EnduRen substrate (Promega cat #E6485) according to the manufacturer&#39;s directions. Briefly, the EnduRen substrate was diluted in DMEM and then added to the plates to a final concentration of 7.5 &#956;M. The plates were incubated for at least 1 h at 37° C. then read on a Viewlux Imager (PerkinElmer) using a luminescence program. The 50% effective concentration (EC50) was calculated using the four-parameter logistic formula noted above.To assess cytotoxicity of the compounds, Cell Titer-Blue (Promega) was added to the EnduRen-containing plates and incubated for at least 4 hrs at 37° C. The fluorescence signal from each well was read using a Viewlux Imager. All CC50 values were calculated using the four-parameter logistic formula.
2228	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.All of the final compounds of the following examples had activity in antagonizing the human orexin-2 receptor in the aforementioned assays with an IC50 of about 0.1 nM to 100 nM. All of the final compounds of the following examples had activity in the FLIPR assay with an IC50 of about 5 nM to 500 nM against the orexin-2 receptor. Additional data is provided in the following Examples. Such a result is indicative of the intrinsic activity of the compounds in use as antagonists of orexin-1 receptor and/or the orexin-2 receptor. In general, one of ordinary skill in the art would appreciate that a substance is considered to effectively antagonize the orexin receptor if it has an IC50 of less than about 50 &#956;M, or more specifically less than about 100 nM.
2229	1	Kinase Assays	Kinase assays are commonly used for determining the ability of a small molecule to inhibit enzyme activity. By measuring the degree of phosphorylation of a substrate at varying concentrations of inhibitor, the concentration of inhibitor resulting in 50% enzymatic activity (IC50) can be obtained. The IC50 is defined as the inflection point of the sigmoidal graph obtained when plotting substrate phosphorylation vs. inhibitor concentration. Experiments were conducted during development of embodiments herein using radiolabeled ATP to detect substrate phosphorylation in the presence of amlexanox analogs to determine the potency (IC50) of said analogs.TBK1 (residues 1-657) and IKK&#949; (residues 1-655) were purified from insect cells to &#8805;90% purity by coomassie staining. Reactions containing 50 nM TBK1 or IKK&#949;, 7 &#956;M myelin basic protein (MBP), and inhibitor in reaction buffer (50 mM HEPES pH 7.5, 10 mM NaCl, 10 mM MgCl2, 1 mM DTT) were initiated with 5 &#956;M ATP spiked with [&#947;-32P]-ATP and allowed to proceed for 30 minutes at room temperature. Reactions were quenched with SDS gel loading dye, run on 4-15% SDS-PAGE gels, and imaged on phosphorimaging screens. Band intensities corresponding to phosphorylated MBP were quantified with ImageQuant and the data analyzed in Prism 6. Dose-response assay band intensities were normalized and fit to a sigmoidal dose-response equation with the Hill slope fixed at &#8722;1 and the top constrained to 100.
2230	1	ADP-Glo Format PI3K Assay	The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 &#956;l prepared from 1 &#956;l additions of enzyme/PIP2:PS lipid (Invitrogen #PV5100) mixture and 1 &#956;l ATP (provided in kit, Promega #V9101) and test compounds in assay buffer (50 mM HEPES pH 7.5, 3 mM MgCl2, 100 mM NaCl, 0.5 mM EGTA, 2 mM DTT, 0.03% CHAPS). The reaction was initiated by the combination of enzyme/lipid, ATP, and test compounds. The reaction mixture was incubated at room temperature for 30 minutes (PI3K Alpha, Beta, Gamma) or 3 hours for PI3K Delta. ADP-Glo (2 &#956;l), followed by Kinase Detection reagent (4 &#956;l), were added to reactions following the initial incubation and allowed to incubate 40 minutes at room temperature. The reaction mixture was analyzed on the TOPCOUNT (Perkin Elmer). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of enzyme in the assays are PI3K Alpha [0.5 nM], PI3K Beta [2 nM], PI3K Gamma [20 nM], PI3K Delta [0.5 nM]. ATP final concentrations are as follows: for Alpha [10 &#956;M], for Beta [12.5 &#956;M], for Gamma [6.5 &#956;M], for Delta [100 &#956;M]. Lipid final concentration was the same for all enzymes, [25 &#956;M]. Dose response curves were generated to determine the concentration required to inhibit 50% of activity. Compounds were dissolved at 0.12 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. The IC50 values were derived by non-linear regression analysis.
2232	1	FLIPR Assay in PAR4-Expressing HEK293 Cells	FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism, agonism, and selectivity against PAR1. The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, PAR1/PAR4-expressing HEK293 cells were grown in DMEM (Life Technology, Grand Island, N.Y.) containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin, 10 &#956;g/mL blasticidin, and 100 &#956;g/mL Zeocin at 37° C. with 5% CO2. Cells were plated overnight prior to the experiment in a black 384-well Purecoat Amine clear bottom plate (Becton Dickinson Biosciences, San Jose, Calif.) at 10,000 cells/well in 30 &#956;L growth medium and incubated in a humidified chamber at 37° C. with 5% CO2 overnight. Prior to compound addition, the cell medium was replaced with 40 L of 1× calcium and magnesium-containing Hank&#39;s Balanced Saline Solution (HBSS) (with 20 mM HEPES) and 1:1000 diluted fluorescent calcium indicator (Codex Biosolutions, Gaithersburg, Md.). After a 30 minute incubation period at 37° C. and a further 30 minute incubation and equilibration period at room temperature, 20 &#956;L test compound (diluted in 1× HBSS buffer) was added at various concentrations at 0.17% dimethyl sulfoxide (DMSO) final concentration. Changes in fluorescence intensity were measured using a Functional Drug Screening System (FDSS, Hamamatsu, Japan) to determine agonist activities. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;L of agonist peptide for antagonist activity measurement. The PAR4 agonist peptide (H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2) and the PAR1 agonist peptide (SFFLRR) were routinely tested to ensure a proper response at the EC50 value in the assay ( 5 &#956;M for PAR4 agonist peptide and 2 &#956;M for PAR1 agonist peptide). Compound potency was derived from 11-point concentration-response curves.
2234	1	MKNK1 Kinase Assay	MKNK1-inhibitory activity of compounds of the present invention was quantified employing the MKNK1 TR-FRET assay as described in the following paragraphs. A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) (SEQ ID: 1) was used which can be purchased e.g. form the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 45 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.05 &#956;g/mi. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein 56 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
2234	2	MKNK1 Kinase High ATP Assay	MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET-based MKNK1 high ATP assay as described in the following paragraphs.A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (C-terminus in amide form) (SEQ ID: 1) was used, which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM magnesium chloride, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (e.g. 20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial dilutions, the exact concentrations may vary depending on the pipettor used) in duplicate values for each concentration and IC50 values were calculated by a 4 parameter fit.
2239	1	Btk Enzyme Activity Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ.ID.NO.: 1), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
2242	1	Ca++ flux assay	Compounds were assayed for their agonist activity on P2Y13 GPCR transfected cells using a Ca++ flux assay (associated to fluorescent dye detection) with the Reference Compound as positive reference. Two cell lines, 1321N1-P2Y13 stably expressing human P2Y13 receptor, and 1321N1 parental cell line as control, were used in this assay. 1321N1 Parental and 1321N1 P2Y13 were seeded into T25 flasks at 3 million cells per flask, respectively. Cells were incubated at 37 degrees Celsius in 5% CO2 overnight. The day after, cells were transfected with Gqi5 protein using Fugene transfection reagent (Roche&#39;s Fugene Reagent).After 24 hours of transfection, cells were collected from flasks and seeded in 384-well plates at 8000 cells per well. The assays were carried out 48 hours after Gqi5 transfection.Methods: The Ca++ flux assay was conducted according to the manufacturer&#39;s protocol (Molecular Devices FLIPR Calcium 4 Assay kit (R8142). Briefly, cell culture media were aspirated from the wells and replaced with 25 &#956;L of Hank&#39;s buffer or PBS buffer. 25 &#956;L of Ca++ dye was added into each assay well. The plate was incubated for 1 hour at 37° C. in 5% CO2. After the incubation, the plate was transferred to FlexStation III (FlexStation III (Molecular Devices)). The compounds were automatically injected into each well.
2248	1	HPTP Assay	HPTP-&#946; inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., Design and Synthesis of Potent, Non-peptidic Inhibitors of HPTPbeta Bioorg Med Chem Lett. 2006 Aug. 15; 16(16):4252-6. Epub 2006 Jun. 12. Erratum in: Bioorg Med Chem Lett. 2008 Aug. 15; 18(16):4745. Evidokimov, Artem G [corrected to Evdokimov, Artem G]: PMID: 16759857; and Klopfenstein S. R. et al. 1,2,3,4-Tetrahydroisoquinolinyl Sulfamic Acids as Phosphatase PTP1B Inhibitors Bioorg Med Chem Lett. 2006 Mar. 15; 16(6):1574-8, both of which are included herein by reference in their entirety.
2250	1	Biological Methods	HIV cell culture assay-MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 jag/ml penicillin G and up to 100 units/mL streptomycin. The 293T cells were propagated in DMEM media supplemented with 10% heat inactivated FBS, 100 &#956;g/mL penicillin G and 100 &#956;g/mL streptomycin. A recombinant NL4-3 proviral clone, in which a section of the nef gene was replaced with the Renilla luciferase gene, was used to make the reference virus used in these studies. The recombinant virus was prepared through transfection of the recombinant NL4-3 proviral clone into 293T cells using Transit-293 Transfection Reagent from Mirus Bio LLC (Madison, Wis.). Supernatant was harvested after 2-3 days and the amount of virus present was titered in MT-2 cells using luciferase enzyme activity as a marker by measuring luciferase enzyme activity. Luciferase was quantitated using the EnduRen Live Cell Substrate from Promega (Madison, Wis.). Antiviral activities of compounds toward the recombinant virus were quantified by measuring luciferase activity in MT-2 cells infected for 4-5 days with the recombinant virus in the presence of serial dilutions of the compound.
2252	1	Biological Assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 mg/ml bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per ml in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 ml SF9 lysate per 15 ml of diluted ROR&#947;-LBD.Compounds to be tested were injected to the 384-well assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, CA).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-SPSSHSSLTERHKILHRLLQEGSP) (SEQ ID NO:1) and APC-conjugated streptavidin (final concentrations 100 nM and 8 nM respectively) were also added to each well.
2254	1	biochemical TR-FRET assay	HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, mM EDTA, 0.1 mM DTT, 100 &#956;g/mL bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per &#956;l in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 &#956;l SF9 lysate per 15 &#956;l of diluted ROR&#947;-LBD.Compounds to be tested were injected to the 384-well assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-SPSSHSSLTERHKILHRLLQEGSP) (SEQ ID NO:2) and APC-conjugated streptavidin (final concentrations 100 nM and 8 nM respectively) were also added to each well.The final assay mixture was incubated overnight at 4° C., warmed to room temperature and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
2259	1	Inhibition of HIV Replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990).
2261	1	Inhibition of Liver Cytochrome P450 Enzymes	Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared in phosphate buffer at a concentration of 5 mM. Separate stock solutions of each substrate were prepared in DMSO:MeCN (50:50 v/v), mixed, and diluted in phosphate buffer to obtain a single solution containing each substrate at five times its experimentally determined Km concentration. The percent of organic solvent attributable to substrate mixture in the final reaction mixture was 1% v/v.Substrate solution and microsome suspension were combined in a 1:1 volume ratio, mixed, and distributed to reaction wells of a PCR plate. Individual test compound or combined inhibitor solutions at each concentration were added to the wells and mixed by repetitive aspirate-dispense cycles. For active controls, blank phosphate buffer solution was added in place of test compound solution. Reaction mixtures were allowed to equilibrate at 37° C. for approximately two minutes before adding NADPH solution to initiate reaction, followed by pipette mixing of reaction mixture. Ten minutes after addition of NADPH, the reaction mixtures were quenched with cold acetonitrile. The samples were mixed by orbital shaking for approximately one minute and centrifuged at 2900 RCF for ten minutes. A portion of the supernatant was analyzed by gradient reverse-phase HPLC with detection by electrospray ionization triple quadrupole mass spectrometry in the positive ion mode.Data was fitted to sigmoid dose-response curves and the inhibitory potency of each test compound was determined as its IC50 value.
2262	1	Plasma kallikrein inhibitory activity	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
2262	2	KLK1 inhibitory activity	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
2265	1	[35S]GTPgammaS Binding Assay	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, and 0.1% (w/v) BSA with 200 mM NaCl, 3 &#956;M GDP] and membranes expressing human APJ receptor/well along with WGA PS beads. The reaction was initiated by addition of 0.2 nM [35S]GTP&#947;S (Perkin Elmer Life and Analytical Sciences, Waltham USA) in the absence or presence of various ligands and incubated at RT for 90 min. Nonspecific binding was determined in the presence of 100 &#956;M GTP&#947;S and was always less than 0.2% of total binding. All the results presented are means of several independent experiments and analyzed by non-linear regression methods using commercially available program Prism (GraphPad, San Diego, Calif.) 
2266	1	Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm.
2266	2	Kinase Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microliter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. 
2267	1	Radiometric Assay	Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay used to measure FAAH activity was performed in Eppendorf tubes: 50 &#956;g of total rat brain homogenate were pre-incubated in 445.5 &#956;L of assay buffer (50 mM Tris-HCl pH 7.4, 0.05% Fatty acid-free-bovine serum albumin (BSA)) with 4.5 &#956;L of inhibitor (at appropriate concentration in DMSO) or DMSO alone (to measure FAAH total activity) for 10 min at 37° C. The blank (no activity control) was prepared using 445.5 &#956;L of assay buffer and 4.5 &#956;L of DMSO without the 50 &#956;g of total rat brain homogenate.After 10 min of pre-incubation with test compounds, the reaction was started by adding of 50 &#956;L of substrate and incubating for 30 min at 37° C. The substrate was prepared in assay buffer in order to achieve the final concentration of 1 &#956;M arachidonoyl ethanolamide (Cayman Chemical N. 90050) and 0.6 nM anandamide [ethanolamine-1-3H] (American Radiolabeled Chemicals Inc, ART. 0626, Conc. 1 mCi/mL, S.A. 60 Ci/mmol). The reaction was stopped by adding cold 1:1 CHCl3/MeOH. After 10 min of centrifugation (845×g at 4° C.) 600 &#956;L of aqueous phase were transferred into scintillation vials previously filled with 3 mL of scintillation fluid (Ultima Gold , Perkin Elmer Inc., Cat. 6013329). Radioactivity was measured by liquid scintillation counting (MicroBeta2 LumiJET Perkin Elmer Inc.). 
2267	2	Fluorescent Assay	Human recombinant FAAH was obtained from a HEK-293 cell line stably overexpressing human FAAH-1 enzyme. Cells were grown in Dulbecco&#39;s Modified Eagle Medium (DMEM) medium containing 10% FBS, 1% pen/strep, 1% glutamine and 500 &#956;g/mL G418. To obtain membrane preparation cells were scraped off with cold PBS and collected by centrifugation (500×g, 10 min, 4° C.); the cell pellet was re-suspended in 20 mM Tris-HCl pH 7.4, 0.32M sucrose, disrupted by sonication (10 pulses, 5 times) and centrifuged (800×g, 15 min, 4° C.); the collected supernatant was centrifuged at 105,000×g for 1 h at 4° C. and the pellet was re-suspended in PBS.The fluorescent assay to measure FAAH activity was performed in 96 wells black plates: 2.5 &#956;g of human FAAH-1 membrane preparation were pre-incubated for 50 min at 37° C., in 180 L of assay buffer (50 mM TrisHCl pH 7.4, 0.05% Fatty acid-free-BSA) with 10 &#956;L of inhibitor (at appropriate concentration in DMSO) or 10 &#956;L DMSO to measure FAAH total activity. The background (no activity) samples were prepared using 180 &#956;L of assay buffer without human FAAH-1 and 10 &#956;L of DMSO. The reaction was then started by the addition of 10 &#956;L of a 40 &#956;M substrate solution (N. 10005098, Cayman Chemical) dissolved in ethanol, and used at a final concentration of 2 &#956;M. The reaction was carried out for 30 min at 37° C. and fluorescence was measured with a Tecan Infinite M200 nanoquant plate reader (excitation wavelength 350 nm/emission wavelength 460 nm).
2269	1	LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON 96-well Polypropylene plates, in a total volume of 60 &#956;L of 50 mM Potassium Phosphate buffer pH 7.4, containing a final concentration of 100 &#956;M 2-oleoylglycerol, 15 &#956;M oleoyl-Coenzyme A and 0.0013 &#956;g/&#956;L Human or Mouse MGAT-2 or 0.0026 &#956;g/&#956;L Rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &#956;L of ice cold methanol containing 1 &#956;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters Symmetry C8, 50×2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of Phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65° C. Mass spectrometry analysis of the samples was performed on a ThermoFisher Quantum Triple quad utilizing APCI (+) as the mode of ionization.
2272	1	Inhibition Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions are placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). 
2272	2	Enzymatic Activity Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions are placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). 
2274	1	Biological Assay	EZH2 Histone Methyl Transferase Assay:  The effectiveness of compounds of the present invention as inhibitors of histone methyl transferases can be readily tested by assays known to those skilled in the art. For example, in vitro histone methyl transferase assays may be conducted with a relevant purified histone methyl transferase and an appropriate synthetic substrate to determine the inhibitory activity of the compounds. Assays for inhibition of EZH2 by the instant compounds were performed in 384-well plates with reaction mixtures containing 350 nM of histone peptide substrate (ATKAAR-K(Me2)-SAPATGGVKKPHRYRPG-GK(Biotin), 500 nM S-[methyl-3H]adenosyl-L-methionine (55-85 Ci/mmol), 50 mM Tris-HCl (pH 9.0), 50 mM NaCl, 1 mM dithiothreitol, Tween-20 at 0.01% and fatty-acid free bovine serum albumin at 0.01%, and recombinant EZH2-641F complex (EZH2 Y641F/EED/SUZ12/RbAp48/AEBP2) at 5 nM (>98% purity, BPS Bioscience) or 15 nM (50% purity, in-house). Reaction mixtures were incubated at room temperature for 3 hours, and the reactions were terminated by 0.005% poly-L-lysine solution in 20 mM Tris-HCl (pH 7.5) and 150 mM NaCl. Reaction products were captured by binding to strepavidin-conjugated imaging beads. Incorporation of radioactive methyl group into the histone peptide substrate was determined in Leadseeker (GE Healthcare) by means of scintillation proximity assay. 
2276	1	Kinase Inhibition Assay	Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Agammaglobulinemia Tyrosine Kinase (Btk) and a modified protocol of the KinEASE FP Fluorescein Green Assay supplied from Millipore . Kinase reaction were performed at room temperature for 60 minutes in presence of 250 &#956;M substrate, 10 &#956;M ATP and variable test article concentrations. The reaction was stopped with EDTA/kinease detection reagents. Phosphorylation of the substrate peptide was detected by fluorescence polarization measured with a Tecan 500 instrument. 
2276	2	KinaseProfiler Radiometric Protein Kinase Assay	Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the compound was added to the assay well as the first component in the reaction, followed by the remaining components as detailed in the assay protocol listed above. The reaction was initiated by the addition of the MgATP mix. The kinase reaction was performed at room temperature for 40 minutes in presence of 250 &#956;M substrate, 10 mM MgAcetate, [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required) and variable test article concentrations. The ATP concentrations in the assays were with 15 &#956;M of the apparent. The reaction was stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting. In addition positive control wells contain all components of the reaction, except the compound of interest; however, DMSO (at a final concentration of 2%) were included in these wells to control for solvent effects as well as blank wells contain all components of the reaction, with a reference inhibitor replacing the compound of interest.
2277	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays 20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 &#956;M (Pim-1, Invitrogen PV3503) or 1.25 &#956;M (Pim-3, Millipore 14-738) enzyme for 1 h at 25&deg; C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.
2277	2	Enzyme Assay	Pim-2 kinase assay&#151;20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2278	1	Binding Assay	Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various concentration were cultured in 0.2 ml of Tris-HCl buffer at 25° C. for 120 minutes. The same was filtered under suction through glass fiber filter (Whatman GF/B), and then the filter was washed 5 times with 1 ml of Tris-HCl buffer. The radioactivity of [3H]-methyl scopolamine adsorbed on the filter was measured by a liquid scintillation counter. Non-specific binding was evaluated under existence of 5 &#956;M of atropine. Affinity of the compound of the present invention to muscarinic M3 receptor was calculated as the dissociation constant (Ki), which can be calculated from concentration (IC50) of test compounds inhibiting 50% of binding of [3H]-methyl scopolamine (i.e. labeled ligand) according to Cheng and Prusoff [Cheng and Prusoff, Biochem. Pharmacol., 22, 3099, 1973]. In following Table, compounds having stronger binding affinity to human muscarinic M3 receptor have lower dissociation constant (Ki).
13184	1	In Vitro Activity Test on TRKA, TRKB, TRKC Kinase	Table 1: Experimental MethodThe tested compounds were subjected to 3-fold serial dilution to reach a final concentration of 1 μM to 0.05 nM (10 concentrations), duplicates for each concentration; and the DMSO concentration in the detection reaction was 1%.TRKA Enzyme Reaction:0.2 ng/μL TRKA protein kinase, 1 μM TK Substrate-biotin polypeptide substrate, 14.68 μM ATP, 1×enzymatic buffer, 5 mM MgCl2, and 1 mM DTT. The assay plate was White Proxiplate384-Plus plate (PerkinElmer), and the reaction was incubated at room temperature for 40 min, and the assay volume was 10 μL.TRKB Enzyme Reaction:0.037 ng/μL TRKB protein kinase, 1 μM TK Substrate-biotin polypeptide substrate, 4.77 μM ATP, 1× enzymatic buffer, 5 mM MgCl2, 1 mM MnCl2 and 1 mM DTT. The assay plate was White Proxiplate 384-Plus plate (PerkinElmer), the reaction was incubated at room temperature for 50 min, and the assay volume was 10 μL.TRKC Enzyme Reaction:0.037 ng/μL TRKC protein kinase, 1 μM TK Substrate-biotin polypeptide substrate, 25.64 μM ATP, 1× enzymatic buffer, 5 mM MgCl2, and 1 mM DTT. The detection plate was White Proxiplate 384-Plus plate (PerkinElmer), the reaction was incubated at room temperature for 40 min, and the assay volume was 10 μL.Detection Steps:10 μL of detection reagent (containing 0.125 μM SA-XL665 and 5 μL 1×TK-Antibody) was added to the plate and incubated overnight at room temperature. Synergy Neo 2 was used to read the plate.
13184	2	In Vitro Activity Test on Mutant TRKA (G595R)	Table 3: Experimental MaterialsThe recombinant human TRKA (G595R), TRKA (G667C) and TRKC (G623R) proteins were purchased from SignalChem. HTRF kinEASE TK kit was purchased from Cisbio Bioassays. Synergy Neo 2 of Biotek was used to read the plate. TRKA (G595R) Enzyme Reaction:0.12 ng/μL TRKA (G595R) kinase, 1 μM TK Substrate-biotin polypeptide substrate, 4.5 μM ATP, 1× enzymatic buffer, 5 mM MgCl2, and 1 mM DTT. The assay plate was White Proxiplate384-Plus plate (PerkinElmer), and the reaction was incubated at room temperature for 30 min, and the assay volume was 10 μL. Detection Steps:10 μL of detection reagent (containing 0.125 μM SA-XL665 and 5 μL 1×TK-Antibody) was added to the plate and incubated overnight at room temperature, and Synergy Neo 2 was used to read the plate.
2287	1	FLIPR Assays	Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
13185	1	Inhibition of H+/K+ ATPase Enzyme Activity Assay	H+/K+ ATPase Activity Experiment(1) Adding 35 μl of reaction buffer to each experimental well, and then added 35 μl of buffer 1.(2) Adding 5 μl buffer 1 containing 10% DMSO to the whole enzyme and buffer well.(3) Adding 5 μl of 10× compound working solution to the compound well and mixing well.(4) Adding 5 μl of buffer 1 to the buffer well.(5) Adding 5 μl of 10× enzyme working solution to the remaining wells, mixing and incubating at 37° C. for 30 minutes(6) Adding 5 μl of 10× ATP working solution to all experimental wells, and incubating at 37° C. for 20 min.(7) Adding 15 μl MLG chromogenic solution to all experimental wells, and uniformly mixing and incubating at room temperature for 5-30 min.(8) The reading number of 620 nm was detected by an M5 instrument.
13186	1	In Vitro BTK Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 pL aliquot of a ATP/peptide master mix (final concentration; ATP 10 μM, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 μM Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, 1 pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 pL of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
2293	1	Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above.The assay was carried out in deep well 384 plates in a final volume of 40 &#956;L at room temperature. The assay mixture contained the following: assay buffer (100 mM Tris.Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 10 &#956;M of oleoyl-CoA and 10 ng/&#956;L of DGAT2 membrane.
2294	1	Radioligand Binding Assay	The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of [H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 &#956;M to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 &#956;g protein per ml) added. 
2294	2	Radioligand Binding Assay	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. 
2297	1	Inhibition Assay	Class I PI3-Ks can be either purchased (p110&alpha;/p85&alpha;, p110&beta;/p85&alpha;, p110 /p85&alpha; from Upstate, and p110&gamma; from Sigma) or expressed as previously described (Knight et al., 2004). IC50 values are measured using either a standard TLC assay for lipid kinase activity (described below) or a high-throughput membrane capture assay. Kinase reactions are performed by preparing a reaction mixture containing kinase, inhibitor (2% DMSO final concentration), buffer (25 mM HEPES, pH 7.4, 10 mM MgCl2), and freshly sonicated phosphatidylinositol (100 ug/ml). Reactions are initiated by the addition of ATP containing 10 uCi of &gamma;-32P-ATP to a final concentration 10 or 100 uM and allowed to proceed for 5 minutes at room temperature. For TLC analysis, reactions are then terminated by the addition of 105 ul 1N HCl followed by 160 ul CHCl3:MeOH (1:1). The biphasic mixture is vortexed, briefly centrifuged, and the organic phase is transferred to a new tube using a gel loading pipette tip precoated with CHCl3. This extract is spotted on TLC plates and developed for 3-4 hours in a 65:35 solution of n-propanol:1M acetic acid. The TLC plates are then dried, exposed to a phosphorimager screen (Storm, Amersham), and quantitated. For each compound, kinase activity is measured at 10-12 inhibitor concentrations representing two-fold dilutions from the highest concentration tested (typically, 200 uM).
2301	1	GTPgS Binding Assay	The composition of the assay mixtures [in a final volume of 200 &#956;L in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, pH 7.7, 10 mM MgCl2, 0.2 mM EGTA, 2 mM CaCl2, 100 mM NaCl, 20 M guanosine 5&#8242;-diphosphate (Sigma), 0.3 nM [35S]GTPgS (1250 Ci/mmol (PerkinElmer)), and the test compounds at increasing concentrations (from 10 nM up to 10 M), 10 g of rat cortical membranes, and a concentration of 1 M GABA, that has been observed in previous experiments to correspond to the EC25, a concentration that gives 25% of the maximal response of GABA. The samples were incubated at room temperature for 60 minutes on a shaker. The incubation was stopped by rapid vacuum filtration over glass-fiber filter plates (UniFilter-96 well, GF/B membrane plates, PerkinElmer) using a 96-well plate harvester (TOMTEK Harvester). The UniFilter plate was washed five times with ice-cold wash buffer (50 mM Tris-HCl buffer, pH 7.7, 10 mM MgCl2, and 100 mM NaCl. After filtration the plate was dried for 90 minutes at 55° C. The plates were closed on the bottom with black sealing membranes, and liquid scintillation cocktail (35 &#956;L, Betaplate Scint, PerkinElmer) was added to each well. After sealing the top of the plate, an additional incubation step of 90 minutes at room temperature followed before measuring the plate. The amount of membrane-bound [35S]GTPgS was measured using a 96-well plate reader (Microbeta , PerkinElmer). Nonspecific binding was measured in the presence of unlabeled 10 &#956;M of GTPgS (Millipore) and without GABA. Basal binding was measured in the absence of 1 &#956;M GABA, and maximal binding was measured in the presence of GABA using 1 mM GABA concentrations.
2302	1	Inhibition Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
2288	1	FLIPR Ca2+ Flux Assay	For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. 
2304	1	BIOLOGICAL ASSAYS	The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1; for a review, see: Meine, M.-R.; Llarrull, L. I.; Vila, A. J. Antibiotics, 2014, 3, 285-316) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 &#956;M ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 &#956;M. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 &#956;M to 0.00063 &#956;M. In a 384-well microplate, the test inhibitor was incubated with the metallo-&#946;-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
2308	1	Metabotropic Glutamate Receptor Activity	In the first mode, a range of concentrations of the disclosed compounds are added to cells, followed by a single fixed concentration of agonist. If the compound acts as a potentiatior, an EC50 value for potentiation and a maximum extent of potentiation by the compound at this concentration of agonist is determined by non-linear curve fitting. If the compound acts as a noncompetitive antagonist, an IC50 value is determined by non-linear curve fitting. In the second mode, several fixed concentrations of the disclosed compounds are added to various wells on a plate, followed by a range in concentrations of agonist for each concentration of disclosed compound. The EC50 values for the agonist at each concentration of compound are determined by non-linear curve fitting. A decrease in the EC50 value of the agonist with increasing concentrations of the sample compound (a leftward shift of the agonist concentration-response curve) is an indication of the degree of mGluR4 potentiation at a given concentration of the sample compound. A decrease in the maximal response of the agonist with increasing concentrations of the sample compounds, with or without a rightward shift in agonist potency, is an indication of the degree of noncompetitive antagonism at mGluR4. The second mode also indicates whether the sample compounds also affect the maximum response to mGluR4 to agonists.
2311	1	ERalpha Binding Assay	The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays using a LanthaScreen Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, ThermoFisher, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain, residues 307-554 (expressed and purified in-house) were used to measure compound binding. The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compound&#39;s ability to displace the fluorescent ligand, resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates.2. Prepare 1× ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes.3. Dispense 6 &#956;L of the 1× AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours.5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 &#956;M and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.
2311	3	hERG Binding Assay	hERG (human ether a go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a blockage of hERG channels by a diverse group of drugs. This side effect is a common reason for drug failure in preclinical safety trials [Sanguinetti et al., Nature, 2006, 440, 463-469.] and therefore minimisation of hERG channel blocking activity may be a desirable property for drug candidates.The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the human ether go go-related gene (hERG) using a constitutively expressing CHO cell line on the Nanion Syncropatch 384PE automated patch clamp system.
2318	1	Bcl-2 and Bcl-xL Inhibition	Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluorescent probes in FP assays for Bcl-2, Bcl-xL, and Mcl-1, respectively. By monitoring the total fluorescence polarization values of mixtures composed of fluorescent probes at fixed concentrations and proteins with increasing concentrations up to the full saturation, the Kd values of Flu-BIM to Bcl-2, Flu-BAK to Bcl-xL and Flu-BID to Mcl-1 were determined to be 0.55±0.15, 4.4±0.8 and 6.9±0.9 nM, respectively. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific). To each well, 1 nM of Flu-BIM, or 2 nM of Flu-BAK or 2 nM of Flu-BID and increasing concentrations of Bcl-2, or Bcl-xL, or Mcl-1 were added to a final volume of 125 &#956;l in the assay buffer (100 mM potassium phosphate, pH 7.5, 100 &#956;g/ml bovine &#947;-globulin, 0.02% sodium azide, Invitrogen, with 0.01% Triton X-100 and 4% DMSO). Plates were mixed and incubated at room temperature for 1 hour with gentle shaking to assure equilibrium. The polarization values in millipolarization units (mP) were measured at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Equilibrium dissociation constants (Kd) were then calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 5.0 software (Graphpad Software, San Diego, Calif.). Ki values of representative Compounds of the Disclosure to Bcl-2, Bcl-xL, and Mcl-1 were determined from competitive binding experiments in which serial dilutions of inhibitors were added into 96-well plates containing fixed concentration of the fluorescent probes and proteins in each well. Mixtures of 5 &#956;l of the tested inhibitors in DMSO and 120 &#956;l of pre-incubated protein/probe complexes in the assay buffer were added into assay plates and incubated at room temperature for 2 hours with gentle shaking. Final concentrations of the protein and probe are 1.5 nM and 1 nM for the Bcl-2 assay, 10 nM and 2 nM for the Bcl-xL assay, and 20 nM and 2 nM for Mcl-1 assay, respectively. Negative controls containing protein/probe complex only (equivalent to 0% inhibition), and positive controls containing free probe only (equivalent to 100% inhibition), were included in each assay plate. FP values were measured as described above. IC50 values were determined by nonlinear regression fitting of the competition curves. The Ki values of competitive inhibitors were calculated using an equation described in Nikolovska-Coleska et al., Analytical Biochemistry 332: 261-73 (2004), based upon the measured IC50 values, the Kd values of the probes to the proteins, and the concentrations of the proteins and probes in the competitive assays. Ki values were also calculated using the equation of Huang, Journal of Biomolecular Screening 8:34-38 (2003).
2323	1	Measuring Inhibition of the TRPA1 Ion Channel	Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Table 2, using the procedure outlined in del Camino et al., The Journal of Neuroscience, 30(45):15165-15174 (Nov. 10, 2010), incorporated herein by reference and summarized below. Data for TRPA1 inhibition was obtained by this method for the indicated compounds of Formula (I), with the relevant data included in Table 2 below. All currents were recorded in whole-cell configuration using EPC-9 and EPC-10 amplifiers and Patchmaster software (HEKA) or similar. Patch pipettes had a resistance of 1.5-3 M and up to 75% of the series resistance was compensated. The standard pipette solution consisted of 140 mM CsAsp, 10 mM EGTA, 10 mM HEPES, 2.27 mM, 20 MgCl2, 1.91 mM CaCl2, and up to 0.3 mM Na2GTP, with pH adjusted to 7.2 with CsOH. In addition, a solution containing 145 mM CsCl, 10 mM HEPES, 10 mM EGTA, and up to 0.3 mM Na2GTP and 1 mM MgCl2 (pH 7.2 adjusted with CsOH) can be used. The standard bath solution contained 150 mM NaCl, 10 mM HEPES, 10 mM glucose, 4.5 mM KCl, 1 mM EGTA, 3 mM MgCl2, with pH adjusted to 7.4 with NaOH. In some instances, 2 mM CaCl2 was added in place of EGTA and the concentration of MgCl2 was reduced to 1 mM.Data were collected either by continuous recordings at &#8722;60 mV or by applying voltage ramps from a holding potential of &#8722;40 mV every 4 s. Continuous recordings were collected at 400 Hz and digitally filtered off-line at 10 Hz for presentation. Voltage ramps were applied from &#8722;100 mV or &#8722;80 mV to +100 mV or +80 mV over the course of 400 ms, and data were collected at 10 kHz and filtered at 2.9 kHz. Inward and outward currents were analyzed from the ramps at &#8722;80 and 80 mV, respectively. Liquid junction potential correction was not used.
2334	1	HTRF PI3K Biochemical Assay	Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column 22, to yield 10 concentration dose response for each test compound. Columns 1, 2, 23 and 24 contain either only DMSO or pharmacological known control inhibitor. Once titrations are made, 2.5 nL of the compounds on 384 well plates are reformatted and transferred by acoustic dispense in quadruplicates to a 1536 assay plate (Greiner) to assay across all four PI3K isoform enzymes.The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reaction Buffer; 2) native PIP2 (substrate); 3) Stop (EDTA); 4) Detection Mix A (Streptavidin-APC); 5) Detection Mix B (Eu-labeled Anti-GST plus GST-tagged PH-domain); 6) Detection Mix C. In addition, the following items were obtained or purchased; PI3Kinase (alpha 14-602, beta 14-603, gamma 14-558 and delta 14-604 from Upstate; Millipore), dithiothreitol (Sigma, D-5545), Adenosine-5&#8242; triphosphate (InVitrogen, Cat#AS001A), native PIP3 (PI(3,4,5)P3, diC8, H+, CELLSIGNALS, INC. Cat #907) DMSO (Sigma, 472301).PI3Kinase Reaction Buffer is prepared by dilution the stock 1:4 with de-ionized water. DTT, PIP2 and Biotin-PIP3 were added to 1536 assay plate at a final concentration of 5 mM, 5 mM and 25 nM on the day of use. Enzyme addition and compound pre-incubation are initiated by the addition of 1.25 ul of PI3K (at twice its final concentration) in the 1× reaction buffer to all wells using a BioRaptor. Plates are incubated at RT for 15 minutes. Reactions are initiated by addition of 1.25 ul of 2× substrate solution (PIP2 and ATP in 1× reaction buffer) using BioRaptor. Plates are incubated in humidified chamber at RT for one hour. Reactions are quenched by addition of 0.625 uL of stop solution to all wells using the BioRaptor. The quenched reactions are then processed to detect product formation by adding 0.625 uL of Detection Solution to all wells using the BioRaptor (Detection mix C, Detection Mix A, and Detection Mix B combined together in an 18:1:1 ratio prepared 2 hours prior to use). Following a one hour incubation in the dark, the HTRF signal is measured on the Envision plate reader set for 330 nm excitation and dual emission detection at 620 nM (Eu) and 665 nM (APC).
2335	2	TBD	TBD
2335	3	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 ml/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices) to generate IC50 values. 
2335	4	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 uM or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as:(M t &#8722;M 0)/M water×100%in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. Test compound concentration-dependent response data experiments performed in triplicate. Mean CYP2D6 IC50 values were derived from non-linear, least-squares fitting of dose-dependent response data to a standard logistic equation (Prism, GraphPad Software, Inc)
2336	1	Inhibitory Test of TNAP Activity	COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Invitrogen Corp.). On the next day, the medium was replaced with a fresh medium, and the cells were cultured in an incubator for 3 days. After 3 days, the culture supernatant was collected and concentrated by centrifugation at 5000 G for 30 minutes using Amicon 14, 104 cut (Merck Millipore). The concentrated culture supernatant was dialyzed against 5 L of 50 mM Tris/200 mM NaCl/1 mM MgCl2/20 &#956;M ZnCl2 twice and used as an enzyme source (enzyme solution). The substrate pNPP (ProteoChem Inc.) was adjusted to 3.1 mM with Milli-Q water, and a solution of each test compound dissolved in dimethyl sulfoxide (DMSO; Wako Pure Chemical Industries, Ltd.) by 6 serial dilutions at a 5-fold common ratio from 100 &#956;M, or DMSO was added thereto at a final concentration of 1% by volume. The enzyme solution adjusted to 2 &#956;g/mL with an assay buffer (200 mM Tris/2 mM MgCl2/0.04 mM ZnCl2/0.01% Tween 20) was added in the same amount of the substrate solution and incubated at room temperature for 60 minutes. Then, the absorbance (ABS: 405 nm) was measured using a microplate reader (model plus 384, Molecular Devices, LLC), and the concentration of produced p-nitrophenol was calculated. The inhibition of human TNAP activity by the test compound was evaluated on the basis of the concentration IC50 at which each test compound suppressed 50% of p-nitrophenol production.
2338	1	TR-FRET assays for PI3K isoforms	TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product resulted in a decrease in TR-FRET signal as the labeled fluorophore was displaced from the GRP-1 protein binding site.Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2×Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. The compounds of Table 1 and Compound X ((S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile) were added to the assay solution and incubated for 30 minutes at 25° C. Additionally, Compounds 24-164 were added to the assay solution and incubated for 30 minutes at 250 in a similar manner. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 500 &#956;s read window).The results were normalized based on positive (1 &#956;M wortmanin) and negative (DMSO) controls, and the IC50 values for PI3K&#945;, &#946;, &#948;, and &#947; were calculated from the fit of the dose-response curves to a four-parameter equation. These assays generally produced results within 3-fold of the reported mean.
2339	1	FLIPR-3 Calcium Assay	The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium Assay Kit (Molecular Devices, Sunnyvale, Calif.). The procedure is as follows: 1. Human neutrophils were suspended in HBSS&#8722; (without Ca2+ and Mg2+) containing 10 mM HEPES and FLIPR Calcium 3 dye (3.1×107 cells in total volume 1.7 mL). 2. Cells were aliquoted (200 &#956;L of the cell suspension per tube, 8 tubes total) and 2 &#956;L of the designated compound (with appropriate dilutions) were added to each of 6 tubes. As controls, 2 &#956;L of DMSO (1% final concentration) were added to other 2 tubes. 3. Cells were incubated for 30 min at 37° C. 4. After dye loading, tubes were centrifuged at 6,000 rpm for 1 min, supernatant was removed and cell pellet was re-suspended in 200 &#956;L of HBSS+ (with Ca+ and Mg2+) containing 10 mM HEPES. 5. The compound or DMSO (control) was added again at the same concentrations that were used during cell loading. 6. The cell suspension was aliquoted into a 96-well Reading Plate (Corning) in a volume of 90 &#956;L (105 cells/well). The Compound Plate contained physiologic agonist (GRO&#945; in HBSS&#8722;) or HBSS&#8722; (control). 7. After 15 sec of reading the basal level of fluorescence using the FlexStation II instrument, 10 &#956;L of GRO&#945; or HBSS&#8722; were automatically transferred from the Compound Plate into the Reading Plate (final concentration of GRO&#945; was 25 nM). 8. Changes in fluorescence were monitored (&#955;ex=485 nm, &#955;em=525 nm) every 5 s for 240 to 500 s at room temperature. 9. The maximum change in fluorescence, expressed in arbitrary units over baseline (Max-Min) was used to determine the GRO&#945; response. The effect of each compound on the GRO&#945; response was normalized and expressed as a percent of the DMSO control, which was designated as 100% response. Curve fitting and calculation of the compound inhibitory concentration that reduces the level of the GRO&#945; response by 50% (IC50), or the compound agonist concentration that increases the level of the calcium release by 50% of its maximum induced change (EC50) in the absence of GRO&#945; were determined by nonlinear regression analysis of the dose-response curves generated using Prism 4 (GraphPad Software, Inc., San Diego, Calif.). 
2340	1	Receptor Functional Assay	Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 &#956;M isobutyl-methylxanthine. Cells were then plated in a 384-well plate (Proxiplate Plus 384; 509052761; Perkin-Elmer) at a density of 2,000 cells/well and incubated with antagonist for 30 min at 37° C. Human &#945;-CGRP was then added to the cells at a final concentration of 1.2 nM and incubated an additional 20 min at 37° C. Following agonist stimulation, the cells were processed for cAMP determination using the two-step procedure according to the manufacturer&#39;s recommended protocol (HTRF cAMP dynamic 2 assay kit; 62AM4PEC; Cisbio). Raw data were transformed into concentration of cAMP using a standard curve then dose response curves were plotted and inflection point (IP) values were determined.
2342	1	Inhibition Assay	A TR-FRET-based phosphodiesterase assay kit from Molecular Devices was used to test whether these compounds were indeed direct inhibitors of the PDE4 enzyme. Using Roflumilast as a positive control, compounds of the present invention were tested against fluorescein-labeled cAMP substrate. The principle of the assay is based on the binding of a nucleotide monophosphate generated upon cAMP conversion to 5&#8242; AMP by PDE to an IMAP binding reagent, which in turn is also ligated to a separate complex carrying terbium (Tb)-donor molecule. Proximity of the fluoreceinated 5&#8242;AMP to the Tb donor generates Fluorescence Resonance Energy Transfer. A PDE inhibitor will reduce the conversion of cAMP to 5&#8242;AMP, thus reducing monophosphate that can bind to the IMAP binding reagent and reduce the resulting FRET signal.
2343	1	Inhibition Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
2343	2	Inhibition Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
2344	1	FLIPR Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
2344	2	Electrophysiology Assay	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
2347	1	In Vitro Inhibition Assay	ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additions were done on ice, followed by the addition of ATP mix. Wells were uniformly mixed using an Eppendorff plate shaker and incubated at 30° C. for 20 min, and stopped by the addition of 5 &#956;L of 3% phosphoric acid. Volume was increased to 100 &#956;L by adding 0.8% phosphoric acid which was then transferred to PC filter mats (Millipore), pre-equilibrated with 70% ethanol and water. Plates were washed thrice with 100 &#956;L 0.8% phosphoric acid and dried for an hour at 60° C. 100 &#956;L scintillation fluid was added into each well and reading taken in Perkin Elmer TOPCOUNT beta counter. The data analysis was performed by averaging the duplicate top count readings for each standard, negative, positive control (enzyme control) and samples and subtracting the average negative control from each reading which results in corrected values.
2349	1	Enzyme Activity Assay	BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1 &#956;M to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 5.09 pg/&#956;L (66.67 pM) of BTK enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length BTK, 6HIS-tag cleaved). Following a 60 minute compound & enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2), and 100 &#956;M ATP. The final reaction in each well of 10 &#956;L consists of 50 pM hBTK, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). 
2350	1	Fluorescence Polarization Assay	The activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm). The data was analyzed using Prism Software (GraphPad Inc, San Diego, Calif.).
2352	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
2353	1	Biochemical Assay	The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the following reagents: Adapta Eu-anti-ADP Antibody (Europium labeled anti-ADP antibody in HEPES buffered saline, Cat. No. PV5097), Alexa Fluor 647-labeled ADP tracer (Alexa Fluor 647-labeled ADP tracer in HEPES buffered saline, Cat. No. PV5098), proprietary TR-FRET dilution buffer pH 7.5 (Cat. No. PV3574).PIK3CD substrate Phosphatidylinositol was obtained from Invitrogen (vesicules consisting of 2 mM PI in 50 mM HEPES pH7.5; Cat. No. PV5371). PIK3CG substrate Phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2 was obtained from Invitrogen (PIP2:PS large unilamellar vesicules consisting of 1 mM PI P2: 19 mM PS in 50 mM HEPES pH7.5, 3 mM MgCl2, 1 mM EGTA; Cat. No. PV5100).Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) is a technology based on energy transfer between two adjacent dyes, from an excited electron in one dye (the donor) to an electron of an adjacent dye (the acceptor) through resonance, then released as a photon. This energy transfer is detected by an increase in the fluorescence emission of the acceptor, and a decrease in the fluorescence emission of the donor. TR-FRET assays for protein kinases use a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference from compound autofluorescence or light scatter from precipitated compounds, by introducing a delay after excitation by a flashlamp excitation source. 
2354	1	Radioligand Binding Assay 	HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1,000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14&#8242;000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14&#8242;000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. 
2354	2	Radioligand Binding Assay 	HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1&#8242;000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14&#8242;000 rpm for 20 s. The homogenate was centrifuged at 48&#8242;000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14&#8242;000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. 
2356	1	TAM Enzymatic Assay	The assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.5 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 2.5%. Enzyme solutions of 13.8 nM AXL (Life Technologies, PV4275), or 4.1 nM c-MER (Life Technologies, PV4112), or 0.366 nM TYRO3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 100 uM ATP (for AXL and c-MER assays) or 20 uM ATP (for TYRO3 assay). 10 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 10 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 10 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). 
2358	3	Binding Competition Assay	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973) 
2358	1	Binding Assay	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
2358	2	Binding Assay	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
2359	1	PTP Assay	PTP assays were conducted as previously described in Kontaridis et al., J Biol Chem. 2006; 281:6785-6792, using para-nitrophenyl phosphate (pNPP, obtained from Sigma) as substrate. Briefly, WT C57/B16, MRL/MpJ, or MRL/lpr tissue (spleen, kidney, heart) lysates were homogenized and lysed in RIPA buffer (but without sodium orthovanadate), and SHP2 was immunoprecipitated by using anti-SHP2 polyclonal antibodies (Santa Cruz Biotechnology Inc.) coupled to protein A-Sepharose Immune complexes were washed 3 times in RIPA buffer without sodium orthovanadate and once in wash buffer [30 mM HEPES (pH 7.4), 120 mM NaCl without pNPP]. For each sample, PTP assays were performed in triplicate at 37° C. in 50 &#956;l of assay buffer [30 mM Hepes (pH 7.4), 120 mM NaCl, 5 mM dithiothreitol, 10 mM pNPP] containing 50 &#956;l of the SHP2 beads. Reactions were terminated with 0.2 N NaOH and phosphate release was determined by measuring A410. Following the assays, immune complexes were recovered by centrifugation, boiled in 2× SDS-PAGE sample buffer, resolved by SDS-PAGE, and immunoblotted with polyclonal SHP2 antibodies (Santa Cruz Biotechnology Inc.) to ensure that equal amounts of SHP2 had been tested for phosphatase activity.
2362	1	HTRF-Based Assay	Methods for V79-Human-CYP11B2 and V79-Human-CYP11B1 Assays: V79 cell lines stably expressing the either the human CYP11B2 or the human CYP11B1 enzyme were generated using a standard transfection protocol. V79 cells were transfected with plasmids pTriEx3-Hygro-hCyp11B2 or pTriEx3-Hygro-hCyp11B1 using Lipofectamine2000 reagent. V79 cells that stably express the human CYP11B2 or human CYP11B1 enzyme were selected for and maintained in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin for 2 weeks. Single cell clones were generated by infinite dilution in DMEM supplemented with 10% FBS and 400 &#956;g/mL hygromycin until single colonies were obtained. Clones V79-hCYP11B2-CLE9 and V79-hCYP11B1-8CLC7, were determined to produce the most aldosterone and cortisol, respectively, and were selected for inhibitor screening. For testing of inhibitors, cells were harvested at 80% confluency with 0.5% Trypsan-EDTA, washed once in PBS, and reconstituted in DMEM+0.1% BSA media at a cell concentration of 600,000 cells/mL for the CYP11B2 assay and 280,000 cells/mL for the CYP11B1 assay. 25 &#956;L of cells were added to a 384 well tissue culture treated plate and mixed with 0.3 &#956;L of inhibitor or DMSO (1% final DMSO concentration) for 1 hour at 37° C., 5% CO2. After pre-incubation with inhibitor, the reaction was initiated by adding 5 &#956;L of substrate (final concentration of 125 nM 11-deoxycorticosterone for the CYP11B2 assay or 250 nM 11-deoxycortisol for the CYP11B1 assay). The reaction was carried out for 3 hours at 37° C., 5% CO2 and was stopped by harvesting the supernatants. The amount of product in the supernatant (aldosterone for CYP11B2 assay and cortisol for the CYP11B1 assay) was measured using HTRF-based assay kit (Aldosterone HTRF-CisBio#64ALDPEB, Cortisol HTRF-CisBio #63IDC002-CORT).
2364	1	Binding Assay	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy[26,27-3H]-cholesterol (PerkinElmer, Cat. #NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy[26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. #RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. #T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
2366	1	[35S]GTP&#947;S Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, and 0.1% (w/v) BSA with 200 mM NaCl, 3 M GDP] and membranes expressing human APJ receptor/well along with WGA PS beads. The reaction was initiated by addition of 0.2 nM [35S]GTP&#947;S (Perkin Elmer Life and Analytical Sciences, Waltham USA) in the absence or presence of various ligands and incubated at RT for 90 min. Nonspecific binding was determined in the presence of 100 M GTP&#947;S and was always less than 0.2% of total binding. All the results presented are means of several independent experiments and analyzed by non-linear regression methods using commercially available program Prism (GraphPad, San Diego, Calif.) to obtain EC50.
2368	1	Electrophysiological Assay	Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The operation was conducted in accordance with the operating procedure of the system. A Dulbecco&#39;s phosphate buffer containing calcium and magnesium (Sigma) was used as an extracellular fluid, and a low C1-buffer (100 mM K-gluconate, 40 mM KCl, 3.2 mM MgCl2, 5 mM EGTA, 5 mM Hepes, pH 7.3) was used as an intracellular fluid. A test compound was dissolved in dimethylsulfoxide (DMSO) to prepare a 30 mM stock solution, so as to produce 4-fold serial dilutions with the extracellular fluid for attaining a DMSO concentration of 0.3% in measurement.The hNav 1.7/&#946;1/&#946;2 cells cultured to a 70-80% confluent state in a T150 flask (Sumilon) were washed with PBS and subsequently with versene (Invitrogen Corp.), and collected by allowing to react with 0.05% trypsin (Invitrogen Corp.) at 37° C. for 3 minutes. After washing with a culture medium, the resultant cells were suspended in an extracellular fluid at a concentration of 2×10&#8722;6 cells/ml so as to be used for the measurement. The cell membrane was perforated by using an intracellular fluid including 100 &#956;g/ml amphotericin B (Sigma).
2370	1	Radioligand Binding Assay	Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× sodium pyruvate, 10 mM HEPES, 600 &#956;g/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) (Moraveck Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-(1-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-1-((S)-2-(5-phenyl-(1,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-1-yl)-methanone) diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
2370	2	Receptor Radioligand Binding Assay	Human Orexin 2 Receptor:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 5 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol), diluted to a 5 nM concentration in PBS (2 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentration (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M almorexant. The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
2372	1	Inhibition Assay	In a final reaction volume of 25 &#956;L, ROCK-I (h, amino acids 17-535) (5-10 mU) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and [&#947;-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2372	2	Inhibition Assay	In a final reaction volume of 25 &#956;L, ROCK-II (h, amino acids 11-552) (5-10 mU) was incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK, 10 mM magnesium acetate and [&#947;-32P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filter-mat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2374	1	Inhibition Assay	ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released from the substrate, lysophosphatidylcholine (LPC) as it is cleaved to LPA. Conditioned media is collected from confluent Hep3B cells and concentrated 20-fold using Centriprep-30 filter devices (Millipore). To assay for autotaxin inhibition, 10-20 &#956;L of the concentrated conditioned media is incubated with 2.5 &#956;L of a test compound in DMSO and 72.5-82.5 &#956;L lyso-PLD buffer (100 mM Tris pH 9, 500 mM NaCl, 5 mM MgCl2, 5 mM CaCl2, 0.05% Triton X-100 in the presence or absence of 0.2% fatty-acid-free human serum albumin) for 15 min at 37° C. After the 15 min incubation, 5 uL of 2 mM LPC (14:0; Avanti Polar Lipids Cat#855575C) diluted in lyso-PLD buffer is added for a final concentration of 100 uM and the incubation continues for 1.5-3 hours at 37° C. 100 &#956;L of a color mix containing 4.5 mM 4-aminoantipyrine, 2.7 mM N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine, 21 units/ml horseradish peroxidase and 3 units/mL choline oxidase in 50 mM Tris, pH 8, 4.5 mM MgCl2 is added and the incubation continued for 15 minutes at room temperature before reading the absorbance at 555 nm.
2376	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
2378	1	Electrophysiology Assay	Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Quattro automated electrophysiology platform (Molecular Devices, Sunnyvale, Calif.). Chinese hamster ovary cells stably expressing Kir1.1 channels were maintained in T-75 flasks in cell culture media in a humidified 10% CO2 incubator at 37° C. Prior to an experiment, Kir1.1 expression was induced by overnight incubation with 1 mM sodium butyrate. On the day of the experiment, cells were dissociated with 2.5 mL of Versene (Invitrogen 15040-066), a non-enzymatic cell dissociation reagent, for approximately 6 min at 37° C. and suspended in 10 mL of bath solution containing (in mM): 150 NaCl, 10 KCl, 2.7 CaCl2, 0.5 MgCl2, and 5 HEPES, at pH 7.4. After centrifugation, the cell pellet was resuspended in approximately 4.0 mL of bath solution and placed in the IonWorks instrument. The intracellular solution consisted of (in mM): 80 K gluconate, 40 KCl, 20 KF, 3.2 MgCl2, 3 EGTA, and 5 Hepes, at pH 7.4. Electrical access to the cytoplasm was achieved by perforation in 0.13 mg/mL amphotericin B for 4 min. Amphotericin B (Sigma A-4888) was prepared as a 40 mg/mL solution in DMSO.
2379	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 jag/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
2380	1	Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
2380	2	Tyrosine Kinase Assay	The assays were performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerolphosphate, 0.015% Brij 35 surfactant and 4 mM DTT). The reaction was initiated by the combination of Jak2 tyrosine kinase with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 minutes and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays is ATP, 30 &#956;M; Jak2 fluorescent peptide, 1.5 &#956;M; Jak2, 1 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations, each in duplicate. 
2381	1	In Vitro Assay	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
2382	1	Inhibition Assay	The assay is based on the principle that binding of the agonist to the ROR&#947; causes a conformational change around helix 12 in the ligand binding domain, resulting in higher affinity for the co-activator peptide. The Fluorescein-D22 co-activator peptide used in the assay is recruited in the absence of a ligand. Binding of the co-activator peptide, causes an increase in the TR-FRET signal while binding of an inhibitor decreases the recruitment of the co-activator peptide, causing a decrease in the TR-FRET signal compared to a control with no test compound. The assay was performed using a two-step procedure, pre-incubation step with the test compound followed by the detection step on addition of the anti-GST tagged terbium (Tb) and fluorescein tagged fluorophores as the acceptor.Test compounds or reference compounds such as T0901317 (Calbiochem) were dissolved in dimethylsulfoxide (DMSO) to prepare 10.0 mM stock solutions and diluted to the desired concentration. The final concentration of DMSO in the reaction was 4% (v/v). The assay mixture was prepared by mixing 10 nM of the GST-tagged ROR gamma ligand binding domain (LBD) in the assay buffer containing 25 mM HEPES (pH 7.4), 100 mM NaCl, 5 mM DTT and 0.01% BSA with or without the desired concentration of the test compound. The reaction was incubated at 22° C. for 1 hour. The pre-incubation step was terminated by addition of the detection mixture containing 300 nM Fluorescein-D22 co-activator peptide and 10 nM lantha screen Tb-anti GST antibody into the reaction mixture. After shaking for 5 minutes the reaction was further incubated for 1 hour at room temperature and read at 4° C. on an Infinite F500 reader as per the kit instructions (Invitrogen). 
2383	1	Inhibition Assay	The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin protein (Leu-Gly-Arg-Asp-Lys-Tyr-Lys-Thr-Leu-Arg-Gln-Ile-Arg-Gln) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (IC50), compounds were serially diluted in DMSO and added to 10 uL kinase reactions containing 1 nM purified MAP4K4 enzyme, 1 uM peptide substrate, 10 uM ATP, 10 mM MgCl2, 1 mM EGTA, 50 mM Hepes pH 7.2, 1 mM DTT, 0.01% Triton X-100, and 2% DMSO. Reactions were incubated at room temperature in Perkin Elmer Proxiplates for 45 minutes and stopped by the addition of 10 uL of an EDTA-containing solution (50 mM Hepes pH 7.2, 40 mM EDTA, 0.02% Triton X-100). The fraction of phosphorylated peptide was determined as a fraction of total peptide substrate using the Caliper Lab Chip 3000 according to the manufacturer's instructions. IC50 values were determined using the four-parameter non-linear fit model.
2384	1	Enzymatic Assay	The PDE enzymatic reaction was carried out in assay buffer (20 mM Tris-HCl pH7.5, 10 mM MgCl2, 0.1% bovine serum albumin) containing enzyme and substrate. The PDE enzymes concentration ranged from 10 pM 250 pM, depending on each enzyme&#39;s specific activity. The substrate cyclic nucleotide (cAMP or cGMP) concentration used in the assay was 20 nM for PDE10, and 100 nM for other PDEs. The inhibitory effect of compound was determined by incubating various concentration of inhibitor in the enzymatic assay. Typically, compound was serial diluted in DMSO then further diluted in assay buffer. Next, the compound at varying concentration was mixed with PDE enzyme. The reaction was initiated by addition of cyclic nucleotide substrate, and incubated for 60 minutes at 29 C. The reaction was stopped by addition of lysis buffer from assay kit. The cAMP-d2 and anti-cAMP cryptate in the lysis buffer detected the level of cAMP left from the PDE hydrolysis reaction. The PDE activity is reversely correlated with the amount of cAMP left in the reaction and can be converted to the percent activity of an uninhibited control (100%). 
2387	1	Bioactivity Assay	Human kidney embryonic cells HEK-293T were grown in a petri dish (diameter=10 cm) containing DMEM and 10% of bovine fetal serum culture solution, and incubated in an 5% of carbon dioxide-containing incubator at 37° C. Plasmids carrying human URAT1 were transfected to HEK-293T cells using TransIT-293 (Mirus Bio LLC). After 72 hours, the petri dish containing HEK-293T cells transfected with URAT1 was removed from the incubator and the cells were inoculated on Poly-D-Lysine Coated 96-well Plates at a density of 60,000 cells per well. After the cells on the 96-well plates were grown overnight (at least 12 hours) in an incubator at 37 degrees, these cells were gently rinsed 3 times with warm and no chloride ions-containing HBSS buffer (125 mM sodium gluconate, 4.8 mM potassium gluconate, 1.3 mM calcium gluconate, 1.2 mM monopotassium phosphate, 1.2 mM magnesium sulfate, 5.6 mM glucose, 25 mM HEPES, pH 7.4). 50 microliter of HBSS buffer (not containing chloride ions) containing 0.2 microcurie of 14C-uric acid and compounds of the present application or benzbromarone, and vector was added in each well, then the cell plates were put back to the incubator at 37 degrees. After 5 min, the buffer was removed from cell wells, added with 100 microliter of ice-cold and no chloride ions-containing HBSS buffer to gently rinse cells within wells so as to stop them from absorbing 14C-uric acid, the rinsing was repeated 3 times in the same manner. 150 microliter of cell lysate (100 mM of NaOH) was added in each well. Cell plate was placed on a vibrating plate and vibrated for 10 min at a speed of 600 rpm such that the cells were completely lysed. The cell plate was put in a centrifuge and spun for 5 min at a speed of 1000 rpm, then 45 microliter of supernatant was sucked out from each well and transferred to 96-well plate (Isoplate-96 Microplate from PerkinElmer).
2388	1	Activity Assay	The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), penicillin (100 U/mL), streptomycin (100 &#956;g/mL), and G418 (250 g/mL) had been added. The cells were suspended in the culture liquid and were inoculated onto a 96-well plate. Subsequently, the cells were cultured for 48 hours. The culture liquid was removed, and the liquid was changed to S-MEM, to which 5% (v/v) FBS, calcium chloride (0.5 mmol/L), L-glutamine (2 mmol/L), L-alanine (8.9 ng/mL), L-asparagine (13.2 ng/mL), L-aspartic acid (1.33 ng/mL), L-glutamic acid (14.7 ng/mL), glycine (7.5 ng/mL), L-proline (11.5 ng/mL, L-serine (10.5 ng/mL), penicillin (100 U/mL), and streptomycin (100 &#956;g/mL) had been added. The cells were cultured for another 24 hours. The culture liquid was removed again, and the cells were washed with an assay buffer (140 mmol/L sodium chloride, 5 mmol/L potassium chloride, 0.5 mmol/L magnesium chloride, 0.5 mmol/L calcium chloride, 10 mmol/L glucose, 0.4 mmol/L magnesium sulfate, 10 mmol/L HEPES, and 250 mol/L sulfinpyrazone, pH 7.4) that had been kept warm at 37° C. Subsequently, an assay buffer prepared by dissolving Fura2-AM, which is a fluorescent Ca2+ indicator, to a concentration of 5 &#956;M, was added to the cells, and the system was incubated for 30 minutes at 37° C. The assay buffer having Fura2 dissolved therein was removed, and the cells were washed with the assay buffer. Subsequently, an assay buffer prepared by adding a test compound was added to the cells, and the system was incubated for 15 minutes. The plate was mounted on a fluorescence analyzer (FLEX STATION II, Molecular Devices, LLC), and the baseline was measured for 20 seconds. Subsequently, any change in the intracellular calcium concentration that was induced when an assay buffer prepared by adding 100 mmol/L calcium chloride was added to the cells, was measured (excited at 340 nm or 380 nm, and detected at 510 nm).
2389	1	Biochemical Assay 	The 6 &#956;L assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM dithiothreitol, 200 nM peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37° C. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode.
2398	1	Enzyme Assay	For the enzymatic test, human MetAP2 protein was obtained from a culture supernatant of insect cells (sf9) infected with MetAP2 recombinant baculovirus.Before performing the experiment, dialysis of the MetAP2 supernatant was performed over 24 hours at 4° C. in a buffer (10 mM Hepes, 100 mM KCl, 10% glycerol, pH 7.4) in the presence of EDTA (1 mM) over the first 12 hours.The dialysis supernatant was recovered and manganese, used as cofactor, was added to a final concentration of 300 &#956;M.The enzymatic test is a two steps procedure.In a first step, it consists in placing in contact the compound according to the invention, the dialysed MetAP2 protein and the substrate (Met-Pro-Arg-pNa peptide synthesized by Neosystem), the N-terminal methionine of which can be cleaved with MetAP2, and which bears at the C-terminal end a para-nitroaniline (pNa) chromophore, which can itself be released by another peptidase only when the N-terminal methionine has been cleaved beforehand.Consequently, the second step consists in reacting the peptides cleaved in the preceding step with a second peptidase in order to release the chromophore. The peptidase used in this second step is cathepsin, which comes from the TagZyme DAPase kit (Quiagen, 34366).The MetAP2 activity is proportional to the amount of para-nitroaniline released, which is measured by absorbance at 405 nm.
2400	1	cAMP HTRF Assay	Frozen cells were quickly thawed, re-suspended in 50 mL warm media and allowed to sit for 5 min prior to centrifugation (1000 rpm) at room temperature. Media was removed and cell pellet was re-suspended in PBS/0.5 &#956;M IBMX generating 2e5 cells/mL. Using a Multidrop Combi, 5 &#956;L cells/well was added to the assay plate (Greiner 784085), which already contained 5 &#956;L of a test compound. Compound controls [5 &#956;M dopamine (final) and 0.5% DMSO (final)] were also included on every plate for data analysis. Cells and compounds were incubated at room temperature for 30 min. Working solutions of cAMP-D2 and anti-cAMP-cryptate were prepared according to Cisbio instructions. Using Multidrop, 5 &#956;L cAMP-D2 working solution was added to the assay plate containing the test compound and cells. Using Multidrop, 5 &#956;L anti-cAMP-cryptate working solutions was added to assay plate containing test compound, cells and cAMP-D2. The assay plate was incubated for 1 hour at room temperature. The assay plate was read on an EnVision plate reader using Cisbio recommended settings. A cAMP standard curve was generated using cAMP stock solution provided in the Cisbio kit.
2403	1	In Vitro Pharmacology Assay	In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm). The data was analyzed using Prism Software (GraphPad Inc, San Diego, Calif.).
2404	1	FRET Assay	The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to assay plates using an Labcyte Echo acoustic dispenser. Two pre-mixes were prepared and incubated for 1 hr at room temp in the dark. Pre-mix 1 comprised 100 nM Protein (Biotinylated HN-Avi-MBP-TCS-hRORg (258-518)) and 60 nM Streptavidin APC in assay buffer, 50 mM MOPS pH7.4, 50 mM KF, 0.003% (w/v) CHAPS, 10 mM DTT and 0.01% (w/v) BSA and pre-mix 2 comprised 160 nM biotinylated SRC-1 peptide (NCOA1-677-700) and 20 nM Europium-W8044 labelled Streptavidin in assay buffer. Five microlitres of pre-mix 2 was dispensed to assay plates containing test compound and incubated for 15 minutes prior to adding five microlitres of pre-mix 1. Plates were incubated at room temperature for 1 hour in the dark, prior to reading in a Pherastar multi-mode plate reader using HTRF filter set (ex 320, em 612 and 665). The FRET signal at 665 nM was divided by the signal at 612 nM and multiplied by 10,000 to generate a signal ratio value for each well. The raw data was transformed to % effect using the equation:Compound % effect=100*[(X&#8722;min)/(max&#8722;min)],where X represents the normalized value for the compound based on the Min (vehicle) and Max (reference compound) inhibition control. 
2405	1	Dopamine Transporter Binding Assay	Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of ice cold modified sucrose phosphate buffer (0.32 M sucrose, 7.74 mM Na2HPO4, 2.26 mM NaH2PO4, pH adjusted to 7.4) using a Brinkman Polytron (setting 6 for 20 sec) and centrifuged at 20,000ug for 10 min at 4&deg; C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 10 mg/ml. Ligand binding experiments were conducted in assay tubes containing 0.5 ml sucrose phosphate buffer for 120 min on ice. Each tube contained 0.5 nM 3H WIN 35428 (specific activity 84 Ci/mmol) and 1.0 mg striatal tissue (original wet weight). Nonspecific binding was determined using 0.1 mM cocaine HCl. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% PEI (polyethyleneimine), using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 5 ml cold buffer and transferred to scintillation vials.
2405	2	Serotonin Transporter Binding Assay	Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25&deg; C.), using a Brinkman Polytron and centrifuged at 50,000xg for 10 min at 4&deg; C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 15 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at room temperature. Each tube contained 1.4 nM [3H]Citalopram (Amersham Biosciences, Piscataway, N.J.) and 1.5 mg midbrain tissue (original wet weight). Nonspecific binding was determined using 10 mM fluoxetine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.3% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted the next day using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.).
2405	3	Norepinephrine Transporter Binding Assay	Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25&deg; C.), using a Brinkman Polytron and centrifuged at 50,000xg for 10 min at 4&deg; C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 80 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at 0-4&deg; C. Each tube contained 0.5 nM [3H]Nisoxetine (PerkinElmer Life Sciences, Boston, Mass.) and 8 mg frontal cortex tissue (original wet weight). Nonspecific binding was determined using 1 mM desipramine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.).
2405	4	Uptake Assays	The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 130 mM NaCl, 5.4 mM KCl, 1.2 mM CaCl2, 1.2 mM MgSO4, 1 mM L-ascorbic acid, 5 mM D-glucose, and 1 uM of the catechol-O-methyltransferase inhibitor Ro 41-0960 (Sigma), pH 7.4) at room temperature (RT). The unlabeled ligand (e.g. modafinil [(+-)-1] or analogues) was added to the cells in 10 concentrations from 1 nM to 0.1 mM equally distributed around the expected IC50 value, and uptake was initiated by addition of 10 nM radioligand in a final volume of 500 uL.
2406	1	In Vitro Activity Assay	The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay as known in the art.
2407	1	Biological Assay	TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX calls Prolink (PK) ; additionally, Shc1 is fused with a larger fragment, which is called Enzyme Acceptor (EA) . Activation of the TrkA receptor, upon NGF addition, results in the kinase domain being phosphorylated, resulting in subsequent recruitment of Shc1-EA protein. That recruitment results in an active B-galactosidase enzyme that is detected by addition of a chemiluminescent substrate. The human p75NTR protein was also expressed as a co-receptor for NGF.
2408	1	Kinase Glo Luminescent Kinase Assay	PI 3-Kinase Alpha (A), Pb 3-Kinase Beta (B), Vps34 (C), PI 4-Kinase Beta (D):The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Switzerland. L-alpha-phosphatidylinositol (PI, liver, bovine) was obtained from Avanti Polar Lipid (Cat. No. 840042C, Lot#LPI-274), Phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2) was also obtained from Avanti Polar Lipid (Cat. No. 840046X). L-&#945;-Phosphatidylserine (PS) was obtained from Avanti Polar Lipid (Cat. No. 840032C), n-Octylglucoside from Avanti Polar Lipid (Cat. No. 10634425001). Luminescence is a well established readout to determine ATP concentrations and can thus be used to follow the activity of many kinases regardless of their substrate. The Kinase Glo Luminescent Kinase Assay (Promega, Madison/WI, USA) is a homogeneous HTS method of measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction.
2408	2	TR-FRET Adapta Assay	PI 3-Kinase Gamma (E), PI 3-Kinase Delta (F):The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the following reagents: Adapta Eu-anti-ADP Antibody (Europium labeled anti-ADP antibody in HEPES buffered saline, Cat. No. PV5097), Alexa Fluor 647-labeled ADP tracer (Alexa Fluor 647-labeled ADP tracer in HEPES buffered saline, Cat. No. PV5098), TR-FRET dilution buffer pH 7.5 (Cat. No. PV3574). PIK3CD substrate phosphatidylinositol (PI) was obtained from Invitrogen (vesicules consisting of 2 mM phosphatidylinositol (PI) in 50 mM HEPES pH7.5; Cat. No. PV5371). PIK3CG substrate phosphatidylinositol-4,5-bisphosphate (PIP(4,5)2 was obtained from Invitrogen (PIP2:PS large unilamellar vesicules consisting of 1 mM PIP2: 19 mM PS in 50 mM HEPES pH7.5, 3 mM MgCl2, 1 mM EGTA; Cat. No. PV5100).
2408	3	Lanthascreen Kinase Binding Assay	mTOR: Binding Assays are based on the binding and displacement of an Alexa Fluor 647-labeled, ATP-competitive kinase inhibitors to the kinase of interest. Invitrogen&#39;s Kinase Tracers have been developed to address a wide range of kinase targets and are based on ATP-competitive kinase inhibitors, making them suitable for detection of any compounds that bind to the ATP site or to an allosteric site altering the conformation of the ATP site.In the Lanthascreen kinase binding assay, the donor (Eu3+-anti-GST (glutathione 5-transferase) antibody) is excited at 340 nm and will transfer its energy to the acceptor (Alexa Fluor 647-labeled ATP-competitive kinase inhibitor=Tracer-314). The emission from the Tracer-314 (Alexa Fluor 647 inhibitor) can be monitored with a filter centered at 665 nm because it is located between the emission peaks of the donor, which is measured at 615/620 nm. The binding of both, the Tracer-314 and Eu3+-anti-GST antibody, to the kinase results in a high degree of FRET from the Eu3+-donor fluorophore to the Alexa-Fluor 647-acceptor fluorophore on the Tracer-314. Binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET.
2409	1	Inhibitory Activity Assay	10 &#956;L of a test compound solution (10% dimethyl sulfoxide) at each concentration and 40 &#956;L of a 5 &#956;g/mL human ENPP2 solution (buffer A: 100 mmol/L Tris-HCl (pH 9.0), 500 mmol/L NaCl, 5 mmol/L MgCl2, 0.05% Triton X-100) were mixed, 50 &#956;L of a 2 mmol/L 16:0-lysophosphatidylcholine (LPC) solution (buffer A) was further added to react at 37° C. for 24 hours. Subsequently, to 10 &#956;L of the reaction solution was added 90 &#956;L of a measurement buffer (0.5 mmol/L aminoantipyrine, 0.3 mmol/L N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methylaniline, 1 U/mL peroxidase, 3 U/mL choline oxidase, 100 mmol/L Tris-HCl (pH 8.5), 5 mmol/L CaCl2) to react at 37° C. for 20 minutes, and spectrophotometric determination was performed at 555 nm.Using a standard curve, a choline production amount (enzyme activity) in each test compound was calculated, and the inhibitory activity rate of each test compound was calculated, wherein the enzyme activity in a positive control to which a test compound is not added, was a 0% inhibition rate, and the enzyme activity in a negative control to which a test compound and human ENPP2 are not added, were 100% inhibition.
2411	1	Mu-Opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
2411	2	kappa-Opioid Receptor Binding Assay	Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
2416	1	FLIPR Assay	The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellular calcium mobilization is induced in PAR4 expressing cells by a PAR4 agonist and calcium mobilization is monitored. See, e.g., Example A.AYPGKF is a known PAR4 agonist. An alternative PAR4 agonist is H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2. As shown in Example B below, H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 was validated as a PAR4 agonist in the FLIPR assay. A side-by-side comparison of the IC50 values of 180 compounds were performed using AYPGKF versus H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2. The results demonstrated a strong correlation between the two assays. Additionally, H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 has improved agonist activity as compared to AYPGKF with an EC50 that is 10 fold lower than the EC50 for AYPGKF in the FLIPR assay. H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 can be synthesized using methods well known to those of skill in the art.The FLIPR assay can also be used as a counterscreen to test agonist activity or PAR1 antagonist activity in a cell line that expresses both PAR1 and PAR4. The PAR1 antagonist activity can be tested by the ability of the compound to inhibit calcium mobilization induced by the PAR1 agonist peptide SFLLRN or other PAR1 agonist peptides.
13187	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 μL of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP® 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 μM; FL-IPTSPITTTYFFFKKK peptide 1.5 μM; IRAK4, 0.6 nM; and DMSO, 1.6%.
13188	1	Human STING TR-FRET Assay	40 nL of test compounds in DMSO were added to wells in a white, 384 well microtitre plate (Greiner 784075). 2 uL STING assay buffer (PBS and 0.01% BSA) containing fluorescein labeled ligand (c[G(2′,5′)p-2′-Fluo-AHC-A(3′,5′)p]-Biolog C 195, 100 nM final) and Tb labeled Streptavidin (Streptavidin-Tb cryptate-CisBio 610SATLB) were added. Then 2 uL STING assay buffer containing STING protein (100 nM final) was added and the mixture was incubated at rt for 60 minutes. The plates were then read on a BMG PheraStar Plus reader (LanthaScreen module).For the assay method described above, test compound percent inhibition, at various concentrations, was calculated relative to untreated and DMSO only treated samples. Compound concentration versus percent inhibition curves were fitted to generate IC50 values. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
13189	1	Biological Activity Primary Activity Assay	NanoBRET assay was carried out according to the manufacturer&#39;s suggested protocol (Promega, Madison, WI). HEK293 cells were transfected using NanoLuc-BRD4-BD1 or NanoLuc-BRD4-BD2 fusion vectors and incubated at 37° C. in an atmosphere of 5% CO2 for 20-24 hours. The transfected cells were then dispensed into 96-well plates using 90 μl cell suspension per well containing 2×105 cells/mL in Opti-MEM and 1× final concentration of tracer. 90 μL per well of cell suspension without tracer was also dispensed into at least 3 wells as “No tracer control samples” for background correction. Serially diluted test compounds were prepared at 1000× concentration in DMSO and further diluted to 10× concentration in Opti-MEM. 10 μL per well of the serially diluted 10× test compound was added to the 96-well plates containing cells with 1× tracer, to give a final top concentration of test compound of 10 μM. Plates were then incubated at 37° C. +5% 002 incubator for 2 hours. Immediately prior to BRET measurements, a 3× solution consisting of 1:166 dilution of Nano-Glo® Substrate plus a 1:500 dilution of Extracellular NanoLuc Inhibitor in Opti-MEM was prepared and 50 μL per well was added to the cells. Donor emission (450 nm) and acceptor emission (610 nm) were measured using PHERAstar (BMG LabTech). 
2433	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. 
2435	1	TR-FRET assay	DLK kinase reactions (20 &#956;L) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-terminally HIS-tagged MKK4 K131M substrate, and 30 &#956;M ATP in kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Triton X-100, 0.01% Bovine &#947;-Globulins, 2 mM DTT, 10 mM MgCl2 and 1 mM EGTA), and testing compound 1:3 serial diluted starting at 20 uM were incubated at ambient temperature for 60 minutes in 384 well OptiPlate (Perkin Elmer). To quench kinase reactions and detect phosphorylated MKK4, 15 &#956;L of TR-FRET antibody mixture containing 2 nM anti-phosphorylated MKK4 labeled with Europium cryptate (Cisbio) and 23 nM anti-HIS labeled with D2 (Cisbio) in detection buffer (25 mM Tris pH 7.5, 100 mM NaCl, 100 mM EDTA, 0.01% Tween-20, and 200 mM KF) was added to the reaction mixture. The detection mixture was incubated for 3 hours at ambient temperature and the TR-FRET was detected with an EnVision multilabel plate reader (Perkin-Elmer) using the LANCE/DELFIA Dual Enh label from Perkin-Elmer (excitation filter: UV2 (TRF) 320 and emission filters: APC 665 and Europium 615). 
2438	1	In Vitro Assay	SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). LANCE refers to homogeneous time resolved fluorometry applications using techniques such as time-resolved fluorescence resonance energy transfer assay (TR-FRET) (see generally for procedures in Perkin Elmer Application Note How to Optimize a Tyrosine Kinase Assay Using Time Resolved Fluorescence-Based LANCE Detection, wwww.perkinelmer.com/lifesciences). The assay principle involves detection of a phosphorylated substrate using energy transfer from a phosphospecific europium-labeled antibody to streptavidin-allophycocyanin as an acceptor.To test the ability of candidate molecules to inhibit SYK tyrosine phosphorylation activity, molecules are reconstituted in 30% DMSO and serially diluted 1:3 with the final dilution containing DMSO in the absence of the candidate molecule. The final DMSO concentration in the assay is 3%. Kinase assays are performed as a two part reaction. The first reaction is a kinase reaction and which comprises of a candidate molecule, full length active recombinant SYK enzyme (Millipore, CA) and biotin-labeled SYK-specific substrate biotin-DEEDYESP-OH. The second reaction involves termination of the kinase reaction and the simultaneous addition of the detection reagents-europium-labeled anti-phosphotyrosine reagent (Eu-W1024-PY100, Perkin Elmer, Boston, Mass.) and Streptavidin-Allophycocyanin detection reagent (SA-APC, Prozyme, CA). The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 &#956;L and contains a final concentration of 1 nM active SYK enzyme, 550 nM SYK-substrate, and 100 &#956;M ATP diluted in a buffer containing 50 mM Tris pH 7.5, 5 mM MgCl2, and 1 mM DTT. The reaction is allowed to proceed for 1 hour at room temperature. The quench buffer contains 100 mM Tris pH 7.5, 300 mM NaCl2, 20 mM EDTA, 0.02% Brij35, and 0.5% BSA. The detection reagents are added to the reaction mixture at the following dilutions 1:500 for Eu-W1024-PY100 and 1:250 for SA-APC. The kinase reaction is terminated by the addition of 50 &#956;L quench buffer containing the detection reagents. The detection is allowed to proceed for 1 hr at room temperature. 
2440	1	HTRF FRET Assay	    Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide.A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
2440	2	Time-Resolved Endpoint Proteolysis aAssay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values.
2442	1	Receptor Binding Assay	D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000×g for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). Membrane bound [3H]-SCH23390 levels were determined by liquid scintillation counting of the filterplates in Ecolume.
2444	1	Binding Assay	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H] cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion ( 6×His disclosed as SEQ ID NO: 2). The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H] cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and 1050 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
2425	1	Enzyme Assay	P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700 respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms.
2425	2	Enzyme Assay	AKT: A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction components were added to a final volume of 12.5 &#956;l:        0.1 ng/&#956;l His-AKT (Full Length), (Invitrogen, Part # P2999, Lot #641228C).        160 uM ATP (Fluka, 02055)        1 mM DTT (Sigma, D0632)        1 mM MgCl2 (Sigma, M1028)        1 &#956;M substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2), synthesized by Tufts Peptide Synthesis service.        100 mM HEPES pH 7.5 (Calbiochem, 391338)        0.015% Brij-35 (Sigma, B4184)The reaction was incubated for 90 min at 25 C., and then stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)).The plate was read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure &#8722;2.3 psi, upstream voltage &#8722;500, and downstream voltage &#8722;3000. These conditions caused unphosphorylated substrate and phosphorylated product peptide to resolve as separate peaks allowing direct measurement of percentage of conversion of substrate to product.
2436	2	Biochemical Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 &#956;l per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
2436	1	Biochemical Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
2436	3	PKR KinaseGlo Assay	Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Massachusetts, USA). The % inhibition for the compounds is calculated using ATP only (100% inhibition) and PKR+ATP (0% inhibition). IC50 values are determined by plotting % activity versus inhibitor concentration. Curves are fitted using Activity base XLfit (IDBS, UK) using the formula 4 Parameter Logistic Model.
2446	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. PD-L1 from either human, cyno, or mouse were used. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 & 5 nM, respectively), CD80-His/PD-L1-Ig (100 & 10 nM, respectively) and CD80-His/CTLA4-Ig (10 & 5 nM, respectively). Competition studies between biotinylated SEQ ID NO:71 and human PD-L1-His were performed as follows. Inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 m in 4 &#956;l of assay buffer followed by addition of biotinylated SEQ ID NO:71 (0.5 nM final) in 1 &#956;l of assay buffer. Binding was allowed to equilibrate for 30 m followed by addition of europium crypated labeled Strepatavidin (2.5 pM final) and APC-labeled anti-His (20 nM final) in 5 &#956;l of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. 
2448	1	Inhibition Activity Assay	The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hours, and then used for intracellular calcium measurement. Fura-2 AM, which is a calcium fluorescent indicator, was used for the intracellular calcium measurement. Fura-2 AM dissolved in an assay buffer was added to the cells, the cells were left standing at room temperature for 45 minutes so that Fura-2 AM was incorporated into the cells, and then the plate was used for the fluorescence measurement. The treatment of the cells with each test substance was performed 15 minutes before the addition of ATP, and inflow of calcium into the cells as a response induced by the addition of ATP was measured over time by using a microplate reader. The ratio of fluorescence values obtained with excitation lights of 340 nm and 380 nm was used as an index of the change of intracellular calcium level, and the inhibitory activity of the test substance was calculated on the basis of the comparison with the value obtained in the absence of the test substance (control).
2449	1	Kinase Assay	A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusion proteins in insect cells and purified to greater than 90% homogeneity. PDK1 protein was divided into two fractions, one of which was subsequently dephosphorylated. To generate dephosphorylated PDK1, the PDK1 was reacted with GST-tagged lambda-phosphatase in vitro. GST was subsequently cleaved proteolytically for both phosphorylated and dephosphorylated PDK1. Protein preparations were run on glutathione Sepharose columns to remove GST and GST-tagged lambda-phosphatase, if present. Phosphorylated PDK1 and dephosphorylated PDK1 were verified by mass-spectrometry. Enzyme activity was determined in a coupled PDK1/AKT/FAM-crosstide assay using either phosphorylated or unphosphorylated PDK1 and phosphorylation of FAM-crosstide was determined by standard IMAP protocol (Molecular Devices). For inhibition studies, compounds were titrated 3-fold in DMSO and diluted 40-fold into assay buffer (10 mM Tris HCl pH7.2; 10 mM MgCl2; 0.01% Triton X-100; 1 mM DTT) containing PDK1, AKT2, and FAM-crosstide. (final concentrations: 25 nM un-phosphorylated PDK1 or 0.5 nM phosphorylated PDK1, 30 nM unphosphorylated AKT2, and 100 nM crosstide substrate). The kinase reaction was initiated by adding ATP to a final concentration of 24 &#956;M for both forms of PDK1 and incubated at 25° C. for 30 min. To detect assay product, the kinase reaction was combined with Progressive Binding Solution (1:600 Progressive Binding Reagent, 50% Buffer A, 50% Buffer B, Molecular Devices) in a 1:3 ratio. The mixture was incubated for 2 hours at 25° C. and the plate was scanned on an Analyst AD with excitation at 485 nm and emission at 530 nm.
2450	1	Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. 
2457	1	FASN Inhibition	FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4&#8242;-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission on reaction with the sulfhydryl group of CoA. The biochemical activities shown in TABLE 31 were determined using the fluorescence measurement of CoA release via a procedure described in Chung C. C. et al. (Assay and Drug Development Technologies, 2008, 6(3), 361-374).
2457	2	Antiviral Activity	The antiviral activities of the compounds were assessed using the HCV1b replicon system. The replicon was constructed using the ET (luc-ubi-neo/ET) cell line, a Huh7 human hepatoma cell line harboring an HCV replicon with a stable luciferase (Luc) reporter and three cell culture-adaptive mutations (Pietschmann, et al (2002) J. Virol. 76:4008-4021). The HCV replicon antiviral evaluation assay examined the effects of compounds at ten three-fold dilutions. Sub-confluent cultures of the ET line were plated out into 96-well plates that were dedicated for the analysis of cell viability (cytotoxicity) or antiviral activity and the next day drugs were added to the appropriate wells. Cells were processed 72 hr later when the cells are still sub-confluent. EC50 (concentrations inhibiting the HCV RNA replicon by 50%), CC50 (concentration decreasing cell viability by 50%) and SI (selective index: CC50/EC50) values were determined. HCV RNA replicon levels were assessed using the Bright-Glo Luciferase Assay System (Promega) to measure replicon-derived Luc activity. The CellTiter-Glo Luminescent Cell Viability Assay (Promega) was used to estimate cell viability.
2459	1	Fluorescent-based In Vitro Assa	The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a fixed amount of protein (2 &#956;g) in a volume of 85 &#956;L. After 30 mins of pre-incubation with test compounds (diluted 20× from DMSO stock solutions at different concentrations), the fluorogenic probe was added (diluted 20× from EtOH stock solution, final concentration 5 &#956;M). After incubation for 3 hours at 37° C., the reactions were stopped with 50 &#956;L of methanol and 100 &#956;L of a 2.5 mg/mL NalO4 fresh solution in 100 mM Glycine/NaOH pH 10.6. The plate was incubated at 37° C. for 2 hours in the dark and fluorescence intensities were measured at excitation/emission wavelengths of 360/446 nm. Negative control samples consisted of the same incubation mixture in the absence of protein extracts.
2462	1	Electrophoretic Mobility Shift Assay (EMSA)	DNA binding reaction (20 &#956;L) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein and 0.5 ng phosphor-labeled CD28RE oligonucleotide for 10 minutes at room temperature in 96-well plates. Test compounds, in serial dilutions, were added into each well, and further incubated for 15 minutes before loading onto native 5% polyacrylamide gel. Electrophoresis proceeded for 2.5 hours at 160V. Radioactive signals were quantified using Phospho-Imager. IC50 of compounds of example 1 to 75 were determined by quantifying the intensity of Rel/NF-&#954;B inhibition in EMSA using phospho-imager.
2462	2	NF-keppaB GFP Assay	NF&#954;B/Jurkat/GFP transcriptional reporter cell line was obtained from SBI System Biosciences. NF-&#954;B/Jurkat/GFP Reporter cells (5×105 cells) were plated at a concentration of 1 million cells/ml into each well of a 24-well plate. TNF-&#945; (5 ng/ml) was added. Compounds were added via serial dilutions to corresponding wells. After 24 hours, 100 &#956;l of the cells were transferred to a well of a Costar UV plate (96 well, No lid, w/ UV Transparent Flat Bottom, Corning, N.Y., Cat#3635) and the intensity of GFP fluorescence was measured (Excitation 485+/&#8722;20, Emission 528+/&#8722;20) in a Synergy HT Multi-Detection Microplate Reader (BioTech, Winooski, Vt.). The intensities of GFP measured were plotted against the amount of TNF-&#945;.
2465	1	HDAC Inhibition Assays	HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a baculovirus expression system in Sf9 cells. An acetylated fluorogenic peptide, RHKKAc, derived from residues 379-382 of p53 was used as substrate. The reaction buffer was made up of 50 mM Tris-HCl pH 8.0, 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, and a final concentration of 1% DMSO. Compounds were delivered in DMSO and delivered to enzyme mixture with preincubation of 5-10 min followed by substrate addition and incubation for 2 h at 30 C. Trichostatin A and developer were added to quench the reaction and generate fluorescence, respectively. Dose-response curves were generated starting at 30 &#956;M compound with three-fold serial dilutions to generate a 10-dose plot. IC50 values were then generated from the resulting plots, and the values expressed are the average of duplicate trials standard deviation.Compound 1 was identified to possess submicromolar HDAC inhibitory activity; however, it was not selective against representative members of the Zn2+-dependant Classes 1 and 2 (HDAC1 and HDAC6, respectively). It was discovered that activity and selectivity could be improved for HDAC6 by accessing a unique cavity on the surface of HDAC6. This was accomplished substitutions on the urea nitrogens. There is a shorter substrate channel on HDAC6 relative to HDAC1 and this feature represented an excellent strategy to impart critical isoform selectivity (Butler et al., J Am Chem Soc 2010, 132(31):10842-10846; Kalin et al., J Med Chem 2012, 55(2):639-651). By incorporating substitutions on the urea motif, the additional branched molecular surface could form valuable contacts with the subtle differences at the HDAC6 surface while the benzyl linker would give a shorter linker that would favor away from HDAC1 inhibition.
2467	1	Bub1 kinase assay	Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRET) kinase assay which measures phosphorylation of the synthetic peptide Biotin-Ahx-VLLPKKSFAEPG (SEQ ID No.1) (C-terminus in amide form), purchased from e.g. Biosyntan (Berlin, Germany) by the (recombinant) catalytic domain of human Bub1 (amino acids 704-1085), expressed in Hi5 insect cells with an N-terminal His6-tag and purified by affinity-(Ni-NTA) and size exclusion chromatography.In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nl of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;L of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 ng/mL were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCL), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;L 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;L final volume) was incubated at 22° C. during 60 min. and the reaction was stopped by the addition of 5 &#956;L of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-002] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, alternatively a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]). The stopped reaction mixture was further incubated 1 h at 22° C. in order to allow the formation of complexes between peptides and detection reagents. Subsequently, the amount of product was evaluated by measurement of the resonance energy transfer from the Eu-chelate-antibody complex recognizing the Phosphoserine residue to the streptavidin-XL 665 bound to the biotin moiety of the peptide. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 330-350 nm were measured in a TR-FRET plate reader, e.g. a Rubystar or Pherastar (both from BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer) and the ratio of the emissions (665 nm/622 nm) was taken as indicator for the amount of phosphorylated substrate. The data were normalised using two sets of control wells for high (=enzyme reaction without inhibitor=0%=Minimum inhibition) and low (=all assay components without enzyme=100%=Maximum inhibition) Bub1 activity. IC50 values were calculated by fitting the normalized inhibition data to a 4-parameter logistic equation (Minimum, Maximum, IC50, Hill; Y=Max+(Min&#8722;Max)/(1+(X/IC50)Hill)).
2474	1	Human GOAT Enzymatic Assay	Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO for ten concentrations with final compound concentrations ranging from 10 &#956;M to 0.5 nM in a 96-well round-bottom plate. Prepare enzyme and substrate solutions in assay buffer (0.02% TWEEN&#153;-20 in 50 mM Tris, pH 7.5 containing 250 mM sucrose, 1 mg/mL BSA and 10 mM EDTA). Add diluted compound (1 &#956;L) to each well of row A to N of a corresponding low protein binding 384 well plate. Add human GOAT substrate mix (10 &#956;L), consisting of human desacyl-ghrelin-biotin (CPC Scientific Inc., 6.0 &#956;M final), octanoyl-CoA (Sigma, 60 &#956;M final) and an AG specific antibody (WO 2006/091381) (1.0 &#956;g/mL final), to the compounds. Add GOAT-His/sf9 enzyme preparation, that has been prepared in assay buffer (9 &#956;L), to each well of the plate containing substrate and test compounds resulting in a final concentration of 0.01 &#956;g/mL to initiate the reaction. Incubate the mixture for 1 h at RT on a gently rotating oscillator. Add 4 M guanidine hydrochloride (20 &#956;L) to all wells, mix, and incubate for 3 h to stop the reaction.Prepare ELISA plates (STREPTAVIDIN SPECTRAPLATE 384, Perkin Elmer) by blocking with 2% Heat-Inactivated FBS in PBS (40 &#956;L) (Invitrogen) blocking buffer for 3 h. Aspirate the blocking buffer from ELISA plate and add blocking buffer (23 &#956;L) to columns 1-24, rows A-N. Reserve rows O and P for the acylghrelin standard curve. Add the reaction mixture (2 &#956;L) to the ELISA plates. Prepare a 10 point standard curve (biotin-labeled octanoyl-ghrelin) by serial 2× dilution in blocking buffer containing 0.2M Guanidine hydrochloride starting at 2.5 &#956;M. Incubate the reaction mixture or biotin-labeled AG standard in the ELISA plate overnight at 4° C. The following day, wash the plate 3× with wash buffer (0.1% TWEEN-20/PBS, 100 &#956;L per well in each wash cycle). Add AG specific antibody (WO 2006/091381) (25 &#956;L of 0.5 &#956;g/mL in blocking buffer) to each well and incubate at RT for 1 h. Wash the plate 3× with the wash buffer, similarly to the previous step. Add Protein G-HRP (25 &#956;L) (Southern Biotech) diluted 3,000× in blocking buffer and incubate 1 h at RT. Wash the late 3× with wash buffer, as in the previous steps. Add TMB reagent (25 &#956;L) (Kirkegaard & Perry Laboratories, Inc.) to each well and let develop for 20 min and stop with 1 M phosphoric acid (25 &#956;L per well). Read plates at 450 nm using an ENVISION Multilabel plate reader. AG levels are calculated versus a fitted standard curve and percent inhibition calculated. The 10-point inhibition curve is plotted and fitted with the four-parameter logistic equation to obtain IC50 values using ACTIVITYBASE (ver. 7.3.2.1).Following a protocol essentially as described above, all of the compounds of the Examples herein were tested and exhibited an IC50 for the in vitro cell free human GOAT enzymatic assay of lower than 1 &#956;M.
2475	1	GCS Enzymatic Assay	This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared using M-PER Mammalian Protein Extraction Reagent (Thermal Scientific) in the presence of a protease inhibitor cocktail (Roche). Protein concentration was determined using BCA assay kit (Pierce). Sixty micrograms of MDCK cell lysate was incubated with various concentrations of a compound described herein from 0.001 &#956;M-10 &#956;M, respectively, or as indicated in Table 2, in 100 mM Tris buffer (pH 7.5) containing 10 mM MgCl2, 1 mM dithiothreitol, 1 mM EGTA, 2 mM NAD, 100 &#956;M UDP-glucose, 10 &#956;M C6-NBD-Ceramide (Matreya LLC, Pleasant Gap, Pa.), 35 &#956;M dioleoylphosphatidylcholine and 5 &#956;M sulfatide (Sigma) in a final reaction volume of 100 &#956;L at 37° C. for 1 hour. 0.1% DMSO was used as mock treatment or control. The reaction was terminated by adding 100 &#956;L acetonitrile solution and subjected to LC/MS analysis.The quantitative analysis of NBD-Ceramide and glucosylceramide was performed on a Shimadzu ultra-fast liquid chromatography (Shimadzu, Japan) coupled with API 4000 triple quadrupole mass spectrometer (Applied Biosystems, Concord, Ontario, Canada). Sample separation was conducted on a Waters Xbridge BEH130 C18, 100 mm×4.6 mm i.d, 3.5 &#956;m (Milford, Mass., USA). The mobile phase consisted of water and acetonitrile supplemented with 0.1% formic acid (v/v). The flow rate was 1.0 mL/min. The initial mobile phase was 20% acetonitrile and was ramped in a linear fashion to 50% acetonitrile in 0.4 min. From 0.4 to 1.5 min, the gradient was ramped to 98% acetonitrile, and then was held at 100% until 8.0 min. Acetonitrile was reset to 20% in 1.5 min, and maintained until 10.0 min. The total run time was 10.0 min. The MS/MS detection was performed in ESI positive mode. The mass transition of NBD-Ceramide was m/z 576.36&#8594;558.40 under the collision energy of 15 V, and the mass transition of glucosylceramide was m/z 738.35-558.40 under 21V collision energy. The cell lysate was diluted with equal volume of acetonitrile. Aliquots of 50 &#956;L diluted samples were added to 1.5 mL tubes, and 100 &#956;L of acetonitrile containing internal standard (100 ng/mL tolbutamide) were added for protein precipitation. The mixture were vortexed and then centrifuged at 13000 rpm for 10 min. 70 &#956;L of supernatant were mixed with 140 &#956;L of H2O and the final solution were injected for LC/MS/MS analysis and IC50&#39;s and/or percent inhibitions calculated.
2476	1	CSE In Vitro Assay	Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 50 uM PLP in assay buffer (100 mM potassium phosphate pH 7.6) in 96 well plates in total volume of 190 ul. Plates were incubated for 30 minutes at room temperature before the addition of 10 ul of 200 mM (20× final in assay buffer) DL-Homocysteine substrate to each well. Plates were incubated at 37° C. for 3 hours. 50 ul 20 mM DMPDA in 7.2N HCl was added to each well followed by 50 ul 30 mM FeCl3 in 1.2N HCl. Plates were incubated for 10 minutes with shaking at room temperature and then absorbance at 671 nm read in Promega GloMax microplate reader.
2478	1	MBL Inhibitory Activity in Constructed E. coli Cells Expressing MBLs	a. Transfer 50 &#956;l LB with 0.8 mM IPTG (0.4 mM final concentration in assay) to each wellb. Add 1 &#956;l inhibitor/positive control (500/1000 &#956;M final concentration in assay) to selected wellsc. Add 50 &#956;l overnight culture (OD600=1) to each welld. Incubate in plate reader at 37° C. for 20 min with shakinge. Add 5 &#956;l nitrocefin (3.2 mM) to selected wells with a multichannel pipettef. Incubate the plate in the plate reader for 3 hours, measuring nitrocefin hydrolysis at A482 every minute, with shaking in-betweeng. Measure endpoint at A600 to see how inhibitor alone effects bacterial growthh. Centrifuge the plate at 2800 rpm for 10 min, and transfer 50 &#956;l to clean wellsi. Measure A482 endpoint.
2479	1	RET Wild Type Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKD DIYFFFG-NH2) (SEQ ID NO: 5) and 25 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
2479	2	RET V804L Gatekeeper Mutant Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKDDIYFFFG-NH2) (SEQ ID NO: 5) and 10 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
2480	1	Enzyme Activity	The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1; for a review, see: Meine, M.-R.; Llarrull, L. I.; Vila, A. J. Antibiotics, 2014, 3, 285-316) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 &#956;M ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 &#956;M. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 &#956;M to 0.00063 &#956;M. In a 384-well microplate, the test inhibitor was incubated with the metallo-&#946;-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
2481	1	radioligand binding assay	The structure-activity relationship and optimization studies have led to the discovery of selective T-type calcium channel blockers, e.g., compound 9. As used herein, the term T-type calcium channel blocker refers to a compound that can modulate, in particular inhibit or reduce activation of T-type calcium channels. In some embodiments, the IC50 of compounds of the invention for inhibiting T-type calcium channel is about 10 &#956;M or less, typically about 2 &#956;M or less, and often about 1 &#956;M or less. The term about refers to ±20%, typically ±10%, and often ±5% of the numeric value.
2485	1	Breast Cancer Cell Viability Assay	MCF-7 cells were adjusted to a concentration of 40,000 cells per mL in RPMI containing 10% FBS and 20 mM HEPES. 16 microliters of the cell suspension (640 cells) was added to each well of a 384 well plate, and the cells were incubated overnight to allow the cells to adhere. The following day a 10 point, serial 1:5 dilution of each compound was added to the cells in 16 &#956;L at a final concentration ranging from 10-0.000005 &#956;M. After 5 days&#39; compound exposure, 16 &#956;L of CellTiter-GLo (Promega, Madison Wis.) was added to the cells, and the relative luminescence units (RLUs) of each well were determined. CellTiter-Glo added to 32 &#956;L of medium without cells was used to obtain a background value. The Percent viability of each sample was determined as follows: (RLU sample&#8722;RLU background/RLU untreated cells&#8722;RLU background)×100=% viability. % Viability relative to Fulvestrant is calculated as follows: 100&#8722;{100*[(100&#8722;% viability of Example)/(100&#8722;% viability of Fulvestrant)]}.
2486	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
2488	1	Measurement of Sodium Ion Channel Blocking Effects	In order to measure the sodium ion channel blocking effect, an IonFlux16 Auto patch clamp system (Fluxion, Inc.) and a plate for exclusive use were used. The cells were distributed in an extracellular solution (4 mM KCl, 138 mM NaCl, 1 mM MgCl2, 1.8 mM CaCl2, 5.6 mM glucose, 10 mM HEPES, pH 7.45), and then dispensed in the specified region of the plate, and each of the prepared compound samples was diluted at various concentrations, and then dispensed in the specified region of the plate. After the dispensation of the cells, the compound samples and an intracellular solution (100 mM CsF, 45 mM CsCl, 5 mM NaCl, 5 mM EGTA, 10 mM HEPES, pH 7.2) in the plate has been completed, the plate was mounted in the patch clamp system, and whether the compounds inhibited the ion channel was measured according to a set program.Specifically, eight concentrations per compound were set, and percent inhibition was determined by calculating the percentage of inhibition of the peak current, generated after treating the cells with each concentration of the compound for 50 seconds, relative to the peak current generated before treatment with the compound, and the IC50 value was calculated using the Sigma plot program.
2490	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
2492	1	In Vitro BTK Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 pL aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, I pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Coming 3674), and 5 pL of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
2493	1	ASV & NPG EGFR Exon 20 Insertion Mutations	A compound&#39;s ability in selectively inhibiting EGFR exon 20 insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, which have been transduced with EGFR exon 20 insertions. An expression vector, pLVX-IRES puro (Clontech) coding for human EGFR exon 20 insertions NPG (H773_V774insNPG) or ASV (V769_D770insASV), was transfected into HEK293 cells by the Trans-Lentiviral ORF Packaging System (Thermo Scientific), to produce virus encoding EGFR exon 20 insertions. Ba/F3 (DSMZ) cells maintained in RPMI 1640 medium supplemented with 10% fetal bovine serum, 200 &#956;M L-glutamine/200 &#956;g/mL penicillin/200 &#956;g/mL streptomycin (Life Technology) and 10 ng/mL IL-3 (R&D system), were infected by EGFR Exon20 virus and subsequently selected by puromycin (Life Technology) selection and IL-3 depletion. Ba/F3 cells expressing EGFR exon 20 insertions (named Ba/F3-EGFR-Exon20-NPG or Ba/F3-EGFR-Exon20-ASV) can proliferate in the absence of IL-3. The anti-proliferative activity of compounds were determined as follows: BaF3-EGFR-Exon20 cells (NPG or ASV) seeded in 96 well plates (2500 cells/well) were treated with test compound (dissolved in DMSO) at a series of concentrations (4-fold dilution, top concentration: 10,000 nM). The plates were incubated for 72 h in a 37° C. incubator with 5% CO2, and the number of viable cells in each well were measured indirectly by CellTiter 96 Aqueous One Solution Cell Proliferation Assay (Promega) This assay is a colorimetric method for determining the number of viable cells through measurement of their metabolic activity by detection of enzymatic conversion of tetrazolium salts into blue formazan derivatives. Reagent (20 &#956;L) was added into each well, and the plates were returned to the incubator for 2 h. The absorbance in each well was then measured at 490 nm using an Envision plate reader (Perkin Elmer). IC50 values were calculated by determining the concentration of compound required to decrease the MTS signal by 50% comparing to the DMSO control in best-fit curves using Microsoft XLfit software or Accelrys Pipeline Pilot.
2493	2	EGFR Exon 19 Deletion and Exon 20 T790M Concurrent Mutations	A compound&#39;s ability in selectively inhibiting EGFR exon 19 deletion and T790M concurrent mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, which have been transduced with EGFR exon 19 deletion and T790M mutation. An expression vector, pLVX-IRES puro (Clontech) coding for human EGFR E746-A750 deletion and T790M Mutation, was transfected into HEK293 cells by the Trans-Lentiviral ORF Packaging System (Thermo Scientific), to produce virus encoding EGFR exon 19 deletion and T790M mutations. Ba/F3 (DSMZ) cells maintained in RPMI 1640 medium supplemented with 10% fetal bovine serum, 200 &#956;M L-glutamine/200 &#956;g/mL penicillin/200 &#956;g/mL streptomycin (Life Technology) and 10 ng/mL IL-3 (R&D system), were infected by EGFR E746-A750 deletion and T790M Mutation virus and subsequently selected by puromycin (Life Technology) selection and IL-3 depletion. Ba/F3 cells expressing EGFR E746-A750 deletion and T790M Mutation (named Ba/F3-EGFR-Del/T790M) can proliferate in the absence of IL-3. The anti-proliferative activity of compounds was determined as follows: BaF3-EGFR-Del/T790M cells seeded in 96 well plates (2500 cells/well) were treated with test compound (dissolved in DMSO) at a series of concentrations (4-fold dilution, top concentration: 10,000 nM). The plates were incubated for 72 h in a 37° C. incubator with 5% CO2, and the number of viable cells in each well were measured indirectly by CellTiter 96 Aqueous One Solution Cell Proliferation Assay (Promega; this assay is a colorimetric method for determining the number of viable cells through measurement of their metabolic activity by detection of enzymatic conversion of tetrazolium salts into blue formazan derivatives). Reagent (20 &#956;L) was added into each well, and the plates were returned to the incubator for 2 h. The absorbance in each well was then measured at 490 nm using an Envision plate reader (Perkin Elmer). IC50 values were calculated by determining the concentration of compound required to decrease the MTS signal by 50% comparing to the DMSO control in best-fit curves using Microsoft XLfit software or Accelrys Pipeline Pilot.
2493	3	HER2 Exon 20 YVMA Insertion Mutation	A compound&#39;s ability in selectively inhibiting Her2 exon 20 YVMA insertion mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, which have been transduced with Her2 Exon20 YVMA insertions. An expression vector, pLVX-IRES puro (Clontech) coding for human EGFR exon 20 insertions YVMA (A775_G776ins YVMA), was transfected into HEK293 cells by the Trans-Lentiviral ORF Packaging System (Thermo Scientific), to produce virus encoding EGFR exon 20 insertions. Ba/F3 (DSMZ) cells maintained in RPMI 1640 medium supplemented with 10% fetal bovine serum, 200 &#956;M L-glutamine/200 &#956;g/mL penicillin/200 &#956;g/mL streptomycin (Life Technology) and 10 ng/mL IL-3 (R&D system), were infected by EGFR Exon20 virus and subsequently selected by puromycin (Life Technology) selection and IL-3 depletion. Ba/F3 cells expressing Her2 Exon20 YVMA insertions (named Ba/F3-Her2 Exon20 YVMA) can proliferate in the absence of IL-3. The anti-proliferative activity of compounds was determined as follows: BaF3-Her2 Exon20 YVMA cells seeded in 96 well plates (2500 cells/well) were treated with test compound (dissolved in DMSO) at a series of concentrations (4-fold dilution, top concentration: 10,000 nM). The plates were incubated for 72 h in a 37° C. incubator with 5% CO2, and the number of viable cells in each well were measured indirectly by CellTiter 96 Aqueous One Solution Cell Proliferation Assay (Promega; this assay is a colorimetric method for determining the number of viable cells through measurement of their metabolic activity by detection of enzymatic conversion of tetrazolium salts into blue formazan derivatives). Reagent (20 &#956;L) was added into each well, and the plates were returned to the incubator for 2 h. The absorbance in each well was then measured at 490 nm using an Envision plate reader (Perkin Elmer). IC50 values were calculated by determining the concentration of compound required to decrease the MTS signal by 50% comparing to the DMSO control in best-fit curves using Microsoft XLfit software or Accelrys Pipeline Pilot.
2493	5	EGFR Exon 21 L858R and Exon 20 T790M Concurrent Mutations	A compound&#39;s ability in selectively inhibiting EGFR L858R and T790M concurrent mutations can be assessed using Ba/F3 cells, a murine pro-B cell line, which have been transduced with EGFR L858R and T790M double mutations. An expression vector, pLVX-IRES puro (Clontech) coding for human EGFR L858R and T790M double mutation, was transfected into HEK293 cells by the Trans-Lentiviral ORF Packaging System (Thermo Scientific), to produce virus encoding EGFR L858R and T790M double mutations. Ba/F3 (DSMZ) cells maintained in RPMI 1640 medium supplemented with 10% fetal bovine serum, 200 &#956;M L-glutamine/200 &#956;g/mL penicillin/200 &#956;g/mL streptomycin (Life Technology) and 10 ng/mL IL-3 (R&D system), were infected by EGFR L858R and T790M double mutation virus and subsequently selected by puromycin (Life Technology) selection and IL-3 depletion. Ba/F3 cells expressing EGFR L858R and T790M double mutation (named Ba/F3-EGFR L858R/T790M) can proliferate in the absence of IL-3. The anti-proliferative activity of compounds was determined as follows: BaF3-EGFR L858R/T790M cells seeded in 96 well plates (2500 cells/well) were treated with test compound (dissolved in DMSO) at a series of concentrations (4-fold dilution, top concentration: 10,000 nM). The plates were incubated for 72 h in a 37° C. incubator with 5% CO2, and the number of viable cells in each well were measured indirectly by CellTiter 96 Aqueous One Solution Cell Proliferation Assay (Promega; this assay is a colorimetric method for determining the number of viable cells through measurement of their metabolic activity by detection of enzymatic conversion of tetrazolium salts into blue formazan derivatives). Reagent (20 &#956;L) was added into each well, and the plates were returned to the incubator for 2 h. The absorbance in each well was then measured at 490 nm using an Envision plate reader (Perkin Elmer). IC50 values were calculated by determining the concentration of compound required to decrease the MTS signal by 50% comparing to the DMSO control in best-fit curves using Microsoft XLfit software or Accelrys Pipeline Pilot.
2495	1	Metabotropic Glutamate Receptor Activity	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. Approximately two and a half minutes later, a concentration of mGluR4 orthosteric agonist (e.g. glutamate or L-AP4) eliciting approximately 20% (EC20) of the maximal agonist response was added to the cells, and the response was measured. Two minutes later, a concentration of mGluR4 agonist (e.g. glutamate or L-AP4) eliciting 80% (EC80) of the maximal agonist response was added to the cells, and the response was measured. For rat mGluR4/GIRK experiments, a baseline was established for approximately five seconds, disclosed compounds were added, and either an EC20 or EC80 concentration of agonist was added approximately two and one half minutes later. Potentiation of the agonist response of mGluR4 by the disclosed compounds was observed as an increase in response to the EC20 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound. Similarly, antagonism of the agonist response of mGluR4 by the disclosed compounds was observed as a decrease in response to the EC80 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound.
2496	1	Assay of Co-Activator Recruitment by TR-FRET	The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy transfer) assay. In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed in E. coli and purified by affinity chromatography, and biotin-coactivator peptide SRC1-2 (biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-NH2; SEQ ID NO: 1) containing the LXXLL (SEQ ID NO: 2) consensus domain which is responsible for receptor binding. This interaction is detected by addition of Europium labeled-anti-His antibody (Ex. 337 nm, Em. 620 nm, which binds to 6His) and Streptavidin-APC (Ex. 620 nm, Em. 665 nm, which binds to biotin). When receptor and coactivator are bound to each other, upon shining light at 337 nm on the sample, the Europium emits fluorescence that excites APC due to close proximity (FRET) and this signal is measured at 665 nm. Due to the long lasting fluorescence emission of Europium, the non-specific, short-lived fluorescence is time-resolved (TR) from the fluorescence of interest. Inhibitors of the interaction of receptor and coactivator peptide are detected by a decrease in TR-FRET signal.Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well plates in a total assay volume of 50.5 &#956;L. The assay buffer contained 50 mM TRIS-HCL pH 7.5, 1 mM NaCl, 2 mM MgCl2, 0.5 mg/mL bovine serum albumin, and 5 mM dithiothreitol. The final concentration of reagents was 6.3 nM RORC2 LBD, 200 nM SRC1-2, 50 nM streptavidin APC, 1 nM Europium-labeled anti-His antibody, and varying concentrations of compounds such that final concentration of DMSO is 1% (v/v). The assay steps were: (1) dispensing 500 &#956;L compound at 100× final concentration in DMSO (test wells) or DMSO only (control wells for no inhibition); and (2) dispensing 50 &#956;L mixture of the other assay components including receptor (test wells) or excluding receptor (control wells for maximal inhibition).Assay mixtures were incubated are room temperature for 3 hr and read in EnVision 2100 Multilabel Reader (PerkinElmer Life Sciences) at Excitation Filter 320, Emission Europium Filter 615, Emission APC Filter 665, Dichroic Mirror D400/D630.
2498	1	TR-FRET Assay	Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2× Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. The compounds were added to the assay solution and incubated for 30 minutes at 25° C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIPS, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 500 &#956;s read window).
2501	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software. Compounds of the invention are considered to be active BET inhibitors if their IC50 in the BRD4-BD1 Assay is 6 &#956;M or less. Compounds of the invention are considered to be active BET inhibitors if their IC50 in the BRD4-BD2 Assay is 4 &#956;M or less. Examples 1-29 of the invention have been tested in the BRD4-BD1 Assay and the BRD4-BD1 Assay and were found to be active BET inhibitors.
2502	1	Beta arrestin 2 Interaction Assay (BRET assay)	Beta (&#946;) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120L receptor using &#946;-galactosidase (Beta gal) enzyme fragment complementation assay. The measurement of GPR120 activation upon agonist activation was directly provided by &#946;-arrestin recruitment. One day before the &#946;-arrestin 2 assay, CHO-K1 cells were seeded and incubated overnight at 37° C. in a 5% CO2 humidified atmosphere. Cells were treated with the test compounds in the various concentrations ranging from 30 &#956;M to 1 nM and incubated for 2 hours for GPCR (GPR120) activation. Extent of Arrestin recruitment was measured by adding detection reagents for Beta gal complementation assay and was further incubated for 1 hour. The chemi-luminescent signal was detected on Polar Star (BMG Labtech). The dose-response curve was analyzed using Sigma Plot/Graph Pad. The EC50 (concentration of the test compounds where 50% of compounds&#39; maximal activity is observed) values were calculated from the dose-response curve.
2503	1	S-Adenosylhomocysteine Hydrolase (SAHase) Inhibition	As a consequence of "D"-Isoneplanocin and "L"-Isoneplanocin, being isomers of Neplanocin A, which on one hand is a potent inhibitor of S-adenosylhomocysteine hydrolase (SAHase), a mechanism agreed upon as one source of its antiviral activity and on the other hand thought to contribute to cytotoxicity, the inhibitory efficiency on SAHase activity was assayed (source: rabbit erythrocytes). The inhibition of SAHase activity can be quantitated by the release of free homocysteine. SAHase from rabbit erythrocytes (Sigma) is dialyzed at 4° C. for 2 h in a buffer containing 20% glycerol and 50 mM potassium phosphate pH 7.4. The presence of adenosine deaminase insures that the reaction will proceed in the forward (hydrolysis) direction only. The enzyme preparation is incubated with or without the target compounds at different concentrations in 50 mM potassium phosphate buffer pH 7.4 for 5 minutes at 37° C. before SAH is added. The formation of homocysteine is detected using the Measure-iT thiol quantitation reagent according to the manufacturer&#39;s instructions (Life technologies, Carlsbad, Calif.). Plates are read on Spectra Max M2 (Molecular Devices).
2508	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human &#956; opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. IC50 values were calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand) (Cheng and Prusoff, 1973).
2509	1	TR-FRET Assay	The &#946;-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human &#946;-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc 10-1-IRES-GFP-neoK mammalian expression vector. The gene was fused to the Fc domain of IgG1 (affinity tag) and stably cloned into HEK 293 cells. Purified sBACE-Fc was stored in &#8722;80° C. in Tris buffer, pH 9.2 and had a purity of 40%.The enzyme (truncated form) was diluted to 6 &#956;g/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 &#956;M) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 &#956;l) was added to the plate then 1 &#956;l of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes. Substrate (10 &#956;l) was then added, mixed and the reaction proceeded for 15 minutes at r.t. The reaction was stopped with the addition of Stop solution (7 &#956;l, NaAcetate, pH 9). The fluorescence of the product was measured on a Victor II plate reader with an excitation wavelength of 340 nm and an emission wavelength of 615 nm. The assay was performed in a Costar 384 well round bottom, low volume, non-binding surface plate (Corning #3676). The final concentration of the enzyme was 2.7 g/ml; the final concentration of substrate was 100 nM (Km of 250 nM). The dimethylsulphoxide control, instead of test compound, defined the 100% activity level and 0% activity was defined by wells lacking enzyme (replaced with reaction buffer). A control inhibitor was also used in dose response assays and had an IC50 of 150 nM.
2509	2	sAPPbeta Release Assay	SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at &#8722;140° C. at a concentration of 7.5-9.5×106 cells per vial. Thaw cells and seed at a conc. of around 10000 cells/well in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids to a 384-well tissue culture treated plate, 100 &#956;L cell susp/well. The cell plates were then incubated for 7-24 h at 37° C., 5% CO2. The cell medium was removed, followed by addition of 30 &#956;L compound diluted in DMEM/F-12 with Glutamax, 10% FCS, 1% non-essential amino acids and 1% PeSt to a final conc. of 1% DMSO. The compounds were incubated with the cells for 17 h (overnight) at 37° C., 5% CO2. Meso Scale Discovery (MSD) plates were used for the detection of sAPP&#946; release. MSD sAPP&#946; plates were blocked in 1% BSA in Tris wash buffer (40 &#956;L/well) for 1 h on shake at r.t. and washed 1 time in Tris wash buffer (40 &#956;L/well). 20 &#956;L of medium was transferred to the pre-blocked and washed MSD sAPP&#946; microplates, and the cell plates were further used in an ATP assay to measure cytotoxicity. The MSD plates were incubated with shaking at r.t. for 2 h and the media discarded. 10 &#956;L detection antibody was added (1 nM) per well followed by incubation with shaking at r.t. for 2 h and then discarded. 40 &#956;L Read Buffer was added per well and the plates were read in a SECTOR Imager.
2512	1	LSD1 enzymatic activity	Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 10 &#956;M. Control samples lacking compound, LSD1 enzyme or various reaction components also were prepared and processed in parallel with compound test samples.An aliquot of each serial dilution of test compound was added to a 96 well plate containing 50 nM purified N-truncated LSD1 enzyme (RBC Cat# PDM-11-350), 50 mM Tris-HCl, pH 7.5, 0.05% CHAPS and 1% DMSO in a 10 microliter reaction volume. The plate was pre-incubated at room temperature for 30 min to which 10 M of histone 3.3 peptide (aa 1-21) was added to initiate the enzymatic reaction. The reaction mixture was incubated at room temperature for one hour. After one hour, 10 &#956;l of a detection mixture of horseradish peroxidase (Sigma Cat #P8375) and Amplex Red (InVitrogen A36006) was added and kinetic measurements were read at 5 minute intervals for a period of 30 minutes using an Envision Multiplate Reader (PerkinElmer; excitation at 535 nM and emmission read at 590 nM). The IC50 value for each compound was determined from each 10-point dose-response curve using GraphPad Prism 4 software with a sigmodial dose response.
2513	1	The Measurement of Inhibitory Activity on Human ACC1 and the ACC2	Recombinant human ACC1 and recombinant human ACC2, which were prepared by the method mentioned above, were preincubated with assay buffer solution (50 mM HEPES-KOH (pH 7.4), 10 mM magnesium chloride, 6-10 mM potassium citrate, 4 mM reduced form of glutathione, 1.5 mg/ml bovine serum albumin) for one hour. Then, 0.2 &#956;L of each this invention compound solution (in DMSO) were dispensed to 384-well microplate, 5 &#956;L of the preincubated enzyme solution and 5 &#956;L of substrate solution (50 mM HEPES-KOH (pH 7.4), 1 mM ATP, 0.8 mM acetyl CoA and 25-50 mM potassium bicarbonate) were added to microplate. After centrifugation and shaking, the reaction mixtures were incubated in a humidified box at room temperature for 1 to 3 hours. After the incubation, the enzyme reactions were stopped by the addition of EDTA. Then, after the samples were cocrystallized with CHCA (&#945;-cyano-4-hydroxy cinnamic acid) matrices on MALDI target plate, by using the matrix assist laser deionization time-of-flight mass spectrometer (MALDI-TOF MS), samples were measured in reflector negative mode. Deprotonated ions of acetyl CoA (AcCoA) of substrate and malonyl CoA (MalCoA) of the reaction product were detected, then, the conversion rates of acetyl CoA to malonyl CoA was calculated by the intensity of [MalCoA-H]&#8722;/(Intensity of [MalCoA-H].+Intensity of [AcCoA-H] ) using each signal strength. The 50% inhibitory concentration (IC50) was calculated from the inhibition rate of the enzymatic reaction at each concentration of the compounds. In addition, potassium citrate concentrations in assay buffer solution, potassium hydrogen carbonate concentrations in substrate solution and incubation time were adjusted by each lot of enzyme.
2515	1	p70S6K Enzyme Assay	p70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components were then added to the compound plate to initiate the enzyme reaction: p70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analyzed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700, respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms. To assess the inhibitory potential of the compounds, IC50 values were determined, as shown above.
2515	2	AKT/PKB Kinase Assay	In order to measure AKT inhibition in the Caliper Life Sciences LC3000, a TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction, the following components were added to a final volume of 12.5 &#956;l: 0.1 ng/&#956;l His-AKT (Full Length) (Invitrogen, Part # P2999, Lot #641228C); 160 &#956;M ATP (Fluka, 02055); 1 mM DTT (Sigma, D0632); 1 mM MgCl2 (Sigma, M1028); 1 &#956;M substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2), synthesized by Tufts Peptide Synthesis service; 100 mM HEPES pH 7.5 (Calbiochem, 391338); and 0.015% Brij-35 (Sigma, B4184).The reaction was incubated for 90 min at 25° C., and then stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)). The plate was read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure &#8722;2.3 psi, upstream voltage &#8722;500, and downstream voltage &#8722;3000. These conditions cause unphosphorylated substrate and phosphorylated product peptide to resolve as separate peaks allowing direct measurement of percentage of conversion of substrate to product. The percent conversion was plotted against concentration of inhibitor to produce a sigmoidal dose response curve, from which an IC50 was calculated.
2520	1	calcium assay	Capsaicin (0.3 &#956;M) caused an increase in [Ca2+] in the vast majority (95%) of dorsal root ganglia neurons, which were thereby identified as TRPV1 expressing neurons. All synthesized derivatives were tested and all were able to inhibit the calcium uptake and several compounds exhibited more than 80% inhibition, e.g. compounds of Examples 1, 3, 4, 5, 6, 10, 11, 12, 13, 16, 19, 23, 31, 32, 35, 36, 39, 41, 45, 46, 47, 48, 51, 53, 67, 68, 69, 70, 71, 74, 75, 78, 80, 81, 82, 86, 87 and 89. Among them, derivatives such as compounds of Examples 4, 5, 6, 13, 19, 31, 36, 39, 45, 46, 47, 48, 51, 52, 53, 67, 70, 71, 74, 75, 78, 80, 81, 86 and 87, appeared the most potent TRPV1 antagonists exhibiting a complete abolition of capsaicin response (around 100%) at 300 nM.
2523	1	Monoamine Oxidase Assays for Determining the Selectivity of the Compounds of the Invention for LSD1	Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, secondary and tertiary amines. In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescent-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropanamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAOs activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 &#956;L. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in triplicate within the same experiment.Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of various concentrations of inhibitor (e.g., from 0 to 50 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition.After leaving the enzyme(s) interacting with the inhibitor, 60 to 90 &#956;M of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L (v/v) of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor.The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes.
2524	1	Autotaxin LPC Cascade Assay	The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following assays and their respective methods are carried out with the compounds according to the present invention. Activity possessed by the compounds may be demonstrated in vivo. Those skilled in the art will appreciate that a variety of assay formats may be used to determine the activity of the compounds of this invention.Autotaxin LPC Cascade Assay:Assay Buffer:100 mM Tris-HCl, pH=9500 mM NaCl5 mM MgCl25 mM CaCl20.05% Triton X 100Reagents:Enzyme Source Stock conc Working conc. Final conc. Autotaxin X-Chem 4.6 &#956;M 20 nM 5 nM LPC Sigma L5254 8 mM in assay buffer 400 &#956;M 100 &#956;M Choline Oxidase Sigma C5896 50 U/mL in water 0.8 U/mL 0.1 U/mL HRP Sigma P8375 1000 U/mL in water 8 U/mL 1 U/mL Ampliflu Red Sigma 90101 100 mM in DMSO 400 &#956;M 50 &#956;M.
2527	1	FXR Agonist Assay	Starting from 3.33 mM of compound in DMSO solution, a 10-point 3-fold serial dilution was made by diluting 5 &#956;L of compound into 10 &#956;L of DMSO. The serially diluted compound was then diluted 1:33 into DMEM. This medium was then diluted ten-fold into the culture medium with the cells (10 &#956;L/well). All concentration points are assayed in duplicate. Plates were incubated at 37° C. for 20 hours. After the incubation, 20 &#956;L of culture medium were removed from each well and mixed with 50 &#956;L of assay solution (Pierce Gaussia Luciferase Flash Assay Kit). The luminescence was measured immediately after addition of the Luc substrate with an Envision microplate reader. The raw data was uploaded to CDD and dose-response curves were generated using the Levenberg-Marquardt algorithm integrated into CDD. A negative control DMSO is included on each plate and used to normalize the data with the CDD built-in normalization function.
2528	1	CDK2/Cyclin E1 Mobility Shift Assay	The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-18 (5-FAM-QSPKKG-CONH2) (SEQ ID NO:1). (CPC Scientific, Sunnyvale, Calif.). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type full length CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Mat1 enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (± inhibitor), 4 mM MgCl2, 1 mM DTT, 150 &#956;M ATP (ATP Km=67.4 &#956;M), 0.005% Tween-20, 3 &#956;M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA, pH 7.5. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable.
2528	2	CDK6/Cyclin D1 Mobility Shift Assay	The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (± inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) CDK6/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK6/CyclinD1 (LJIC-2003A2/1865) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
2528	3	CDK4/Cyclin D3 Mobility Shift Assay	The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (± inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 2 nM (active sites) CDK4/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK4/Cyclin D3 (LJIC-2007/2010) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
2538	1	Measurement of RET Inhibitory Activity	To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 10 mM), ATP (the final concentration: 10 &#956;m), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
2539	1	Enzymatic IDO Assay	The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; 70 nM purified human IDO protein, 200 &#956;M L-tryptophan, 20 mM ascorbate, 20 &#956;M methylene blue, 0.1% DMSO. The inhibitors were initially diluted in DMSO at 100 mM and were diluted in potassium phosphate 50 mM, added to the reaction mixture at final concentrations raging from 1 mM to 5 nM and preincubated with the enzyme for 5 min at 25° C. The reaction was started by addition of L-tryptophan to 200 &#956;M and incubated 15 min at 37° C. The reaction was stopped by addition of 0.5 vol of 30% trichloroacetic acid and incubated 30 min at 60° C. to hydrolyze N-formylkynurenine to kynurenine. The reaction was centrifuged at 3400 g for 5 min to remove precipitated protein and the supernatant was reacted with 2% (w/v) of p-dimethylaminobenzaldehyde in acetic acid. The reaction was incubated 10 min at 25° C. and read at 480 nm in a spectrophotometer. Control samples with no IDO inhibitor, or with no IDO enzyme or with the reference inhibitors 1-methyl-tryptophan (200 &#956;M) and menadione (1.2 &#956;M) were used as controls to set the parameters for the non-linear regressions necessary for determination of the IC50 for each compound. Nonlinear regressions and determination of the IC50 values were performed using the GraphPad Prism 4 software. Compounds with an IC50 of less than 500 &#956;M were considered as active inhibitors in this assay.
2540	1	Inhibition of Human DPPI (Cathepsin C)	The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 &#956;g/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature.Five uL test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 &#956;L of DPPI in MES buffer (final concentration 0.0125 ng/L) and incubated for 10 min. Then, 5 &#956;L of substrate in MES buffer (final concentration 50 &#956;M) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 &#956;L of Gly-Phe-DMK in MES-buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).Each assay microtiter plate contained wells with vehicle controls (1% DMSO in bidest+0.075% BSA) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (Gly-Phe-DMK, in bidest+1% DMSO+0.075% BSA, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values).
2540	2	Inhibition of Human Cathepsin K	To activate the proenzyme, 5 &#956;l procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min.5 &#956;L test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 uL of Cathepsin K in assay buffer (final concentration 2 ng/&#956;L) and incubated for 10 min. Then 5 &#956;L of substrate in assay buffer (final concentration 12.5 &#956;M) were added. The plates were then incubated at room temperature for 60 min. Then, the reaction was stopped by adding 10 &#956;L of E64 in assay buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm).
2541	1	FLIPR assay	The FLIPR assay is an exemplary in vitro assay for measuring the activity of the PAR4 antagonists of the present invention. In this assay, intracellular calcium mobilization is induced in PAR4 expressing cells by a PAR4 agonist and calcium mobilization is monitored. See, e.g., Example A.AYPGKF is a known PAR4 agonist. An alternative PAR4 agonist is H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2. H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 has improved agonist activity as compared to AYPGKF with an EC50 that is 10 fold lower than the EC50 for AYPGKF in the FLIPR assay. H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 can be synthesized using methods well known to those of skill in the art.The FLIPR assay can also be used as a counterscreen to test agonist activity or PAR1 antagonist activity in a cell line that expresses both PAR1 and PAR4. The PAR1 antagonist activity can be tested by the ability of the compound to inhibit calcium mobilization induced by the PAR1 agonist peptide SFLLRN or other PAR1 agonist peptides.The compounds of the current invention can be tested in vitro for their ability to inhibit platelet aggregation induced by gamma-thrombin as shown in Example B. Gamma-thrombin, a proteolytic product of alpha-thrombin which no longer interacts with PAR1, selectively cleaves and activates PAR4 (Soslau, G. et al., Unique pathway of thrombin-induced platelet aggregation mediated by glycoprotein Ib , J. Biol. Chem., 276:21173-21183 (2001)). Platelet aggregation can be monitored in a 96-well microplate aggregation assay format or using standard platelet aggregometer. The aggregation assay can also be employed to test the selectivity of the compound for inhibiting platelet aggregation induced by PAR4 agonist peptides, PAR1 agonist peptide, ADP, or thromboxane analogue U46619.Example C is an alpha-thrombin-induced platelet aggregation assay. Alpha-thrombin activates both PAR1 and PAR4.
2543	1	p38 MAPKalpha Enzyme Inhibition	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the level of activation phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) was then added and the kinase reaction was initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture was incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2543	2	p38 MAPKgamma Enzyme Inhibition	The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), were evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) was incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) was then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
2543	3	GSK 3alpha Enzyme Inhibition	The inhibitory activities of test compounds against the GSK 3&#945; enzyme isoform (Invitrogen), were evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) were then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2543	4	c-Src and Syk Enzyme Inhibition	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) was incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) were then added to the enzyme/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2544	1	BACE1 HTRF FRET Assay	A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined &#956;m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE1.
2544	2	BACE-2 Assay	Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50s are determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s are obtained when using raw RFU data. The Ki values are calculated from the IC50 using the Cheng-Prusoff equation.
2545	1	NR2B NAM Assay	Cell Culture and plating: HEK293 cells expressing NR1/NR2B (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in standard tissue culture flasks at 37° C., 5% CO2 per supplier&#39;s instructions. NR2B expression was induced by incubation with 0.3-0.4 &#956;g/ml tetracycline in the presence of 4 mM ARL-15896 for 18-24 hours under the same growth conditions, then transferred to 30° C. for another 3-5 hours.After induction, cell culture medium was removed and cells were rinsed once with Ca2+ and Mg2+-free Dulbecco&#39;s phosphate buffered saline. Cells were then removed from the flask using TrypLE Express (Life Technologies) according to the manufacturer&#39;s instructions and collected to 50 ml centrifuge tubes. Following two washes in Ca2+/Mg2+-free HBSS with 20 mM HEPES (HHnoCa), cells were counted and viability assessed using trypan blue. To load cells with Ca2+-sensitive dye, they were resuspended in fluo-8 plus Component B (AAT Bioquest Products) diluted in HHnoCa and incubated 15 minutes at 37° C., followed by 30 minutes at room temp (in dark). Cells were then washed and resuspended in HHnoCa to remove extracellular dye and plated in 384-well plates (Falcon, uncoated) at 20,000-30,000 cells/well in a final volume of 25 &#956;l/well.
2547	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4 AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.All of the final compounds of the following examples had activity in antagonizing the human orexin-2 receptor in the aforementioned assays with an IC50 of about 0.1 nM to 1500 nM. All of the final compounds of the following examples had activity in the FLIPR assay with an IC50 of about 5 nM to 500 nM against the orexin-2 receptor. Additional data is provided in the following Examples. Such a result is indicative of the intrinsic activity of the compounds in use as antagonists of orexin-1 receptor and/or the orexin-2 receptor.
2548	1	MT4 Assay	Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell line MT-4 based on the method previously described (Hazen et al., 2007, In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV (Hazen et al., In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV , Antimicrob. Agents Chemother. 2007, 51: 3147-3154; and Pauwels et al., Sensitive and rapid assay on MT-4 cells for the detection of antiviral compounds against the AIDS virus , J. of Virological Methods 1987, 16: 171-185).Luciferase activity was measured 96 hours later by adding a cell titer glo (Promega, Madison, Wis.). Percent inhibition of cell protection data was plotted relative to no compound control. Under the same condition, cytotoxicity of the compounds was determined using cell titer Glo (Promega, Madison, Wis.). IC50s were determined from a 10 point dose response curve using 3-4-fold serial dilution for each compound, which spans a concentration range >1000 fold.
2549	1	PARG Assay	PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by Astra Zeneca), used at a final reaction concentration of 80 pM, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 10 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620×104 for each well and used to calculate percent inhibition for test compounds.
2549	2	ARH3 Assay	ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life Sciences: ALX-201-292), used at a final reaction concentration of 17.5 nM, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 30 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620×104 for each well and used to calculate percent inhibition for test compounds.
2549	3	PARP1 Assay	PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones. 5 ul of Human High specific Activity PARP1 (Trevigen: 4668-100-01) was used at a final reaction concentration of 0.02 units/ml in 1×PARP Buffer (Trevigen: 4671-096-02) with 5 ul of 1×PARP cocktail, which is a mixture of 10×PARP Cocktail (Trevigen: 4671-096-03), 10× Activate DNA (Trevigen: 4671-096-06) and 20×PARP Buffer (as above). The reaction was incubated at room temperature for 60 minutes to allow histones on the coated plate to become PARylated. The wells were then washed with PBS/0.1% Triton X100. PARP1 activity was then detected by measuring the extent of PARylation. Firstly, 10 ul of Streptavidin-HRP (Trevigen: 4800-30-06), diluted 1 in 250 in 1×PARG Assay Buffer (Trevigen: 4680-096-02), was added to each well and incubated at room temperature for 60 minutes. Secondly, following another wash with PBS/0.1% Triton X100, Peroxy Glow Reagents A and B (Trevigen: 4675-096-01 and 4675-096-02) were mixed in equal quantities immediately before use and 100 ul was added to each well. Luminescence signal was then measured immediately.
2551	1	PCAF AlphaLisa Binding Assay	His/Flag epitope tagged PCAF719-832 bromodomain was cloned, expressed and purified to homogeneity in-house. PCAF bromodomain binding and inhibition of the compounds disclosed herein was assessed by monitoring the engagement of biotinylated small molecule ligand (known to bind to the PCAF bromodomain) with the target using the AlphaLisa technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate PCAF bromodomain (225 nM final) was combined with the biotinylated small molecule ligand (6 nM final) in 50 mM HEPES (pH 7.5), 75 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 15 minute incubation at room temperature AlphaLisa streptavidin acceptor beads and AlphaLisa nickel chelate donor beads were added to a final concentration of 12.5 &#956;g/mL each. After 90 minutes of equilibration plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
2566	1	Rubidium efflux assay	HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 for 48 hr. The assay was carried out using the Red Membrane Potential Dye (Molecular Devices) following the manufacturer&#39;s instructions. Briefly, the cells were incubated with 1× red membrane potential dye for 1.5 hour. The cells were then treated with various concentrations of the test compounds for 15-20 min followed by depolarization with 10-30 &#956;M Veratridine. The fluorescence was read following excitation at 510-545 nm and emission at 565-625 nm in FLIPR. The max-min fluorescence values were used to calculate the % inhibition. IC50 values were calculated by plotting % inhibition against concentration and curve fitting into a sigmoidal dose response.Through the use of the above described assay procedure, compounds were found to exhibit functional activity against Nav 1.7 in vitro and particularly well suited for the treatment of diseases or disorders as described herein above.
2569	1	[125I]-7OH-PIPAT Binding Assay	[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (nucleus accumbens and olfactory tubercles), were prepared as described by Burris et al. (1994). [125I]-7OH-PIPAT binding assay at D3 receptors was performed in 50 mM Tris-HCl (pH 7.0), 50 mM NaCl, 100 &#956;M Gpp(NH)p (Guanosine 5&#8242;-[&#946;,&#947;-imido]triphosphate) and 0.02% BSA, i.e. conditions which inhibit the [125I]-7-OH-PIPAT binding to D2 and 5HT1A receptors. Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement experiments were performed in the presence of 0.2 nM [125I]-7OH-PIPAT. The reaction, carried out in a final volume of 200 &#956;l, was initiated by the addition of membrane suspension (about 20 &#956;g/well protein) and lasted 45 min at 37° C. Non specific binding (NSB) was determined in the presence of 1 &#956;M SB277011A. The binding reaction was stopped by rapid filtration through GF/C filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 50 mM Tris (pH 7.4) and addition of Microscint 20 (50 &#956;l/well, PerkinElmer), radioactivity was counted with a TopcCount (PerkinElmer). Data were analyzed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software). Ref: Burris, K. D.; Filtz, T. M; Chumpradit, S.; Kung, M. P.; Foulon, C.; Hensler, J. G.; Kung, H. F.; Molinoff P. B. Characterization of [125I](R)-trans-7-hydroxy-2-[N-propyl-N-(3&#8242;-iodo-2&#8242;-propenyl)amino]tetralin binding to dopamine D3 receptors in rat olfactory tubercle. J. Pharmacol. Exp. Ther. 1994, 268, 935-942.
2569	2	Functional Calcium Assay	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were seeded into black walled clear-base 384-well plates at a density of 8,000 cells per well and grown overnight at 37° C. After washing with the assay buffer (20 mM HEPES, 145 mM NaCl, 5 mM KCl, 5.5 mM glucose, 1 mM MgCl2 and 2 mM CaCl2, pH 7.4) containing 2.5 mM Probenecid, cells were incubated with the cytoplasmic Ca2+ probe Fluo-4 AM at 1 &#956;M (final concentration), 37° C. for 60 min. Plates were washed three times as above and placed into a Fluorometric Imaging Plate Reader (FLIPR Tetra, Molecular Devices) to monitor cell fluorescence (ex=470-495 nm, em=515-575 nm) before and after the addition of different concentrations of test compounds. Compounds of invention were dissolved in DMSO and 200-fold diluted with assay buffer plus 0.01% Pluronic F-127. Cells were exposed first to test compounds for 10 min, then to a submaximal concentration of the hD2 receptor agonist dopamine (EC80, 50-140 nM). The fluorescence before compound addition (baseline) and before and after addition of agonist challenge was monitored. The peak of Ca2+ stimulation (baseline subtracted) was plotted versus the concentration of test compound and the curve fitted using a four-parameter logistic equation (XLfit) to assess the agonist/antagonist potency and maximal response.
2569	3	3H]-Spiperone Binding Assay	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.08 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (2 &#956;g of protein for CHO-hD2 membranes) and lasted for 120 min at 23° C. in a final volume of 1000 &#956;l. Non specific binding (NSB) was determined in the presence of 0.1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 &#956;l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software) or XLfit Version 5.2.0.0 (Copyright 2006-2009 ID Business Solutions Ltd). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.011 to 3.0 nM. Ref: Durcan M. J. et al. (1995). Is Clozapine selective for the dopamine D4 receptor? Life Sciences, 57: 275-283. Petrus J. et al. (2001).
2570	1	In Vitro Binding Assay for DDR1	This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carries a GST-tag that can be recognized by an Eu-labeled anti-GST antibody. A tracer compound binding to the active site is labeled with a dye so that a FRET donor acceptor pair can be formed. Excitation energy absorbed by the Europium complex (350 nm flash light or pulsed laser) is transferred to a suitable fluorescent dye, if it is in close proximity. Compounds binding competitively with the tracer molecule will displace the bound tracer molecules and reduce the FRET signal in a dose dependent manner. Due to the long lifetime of the Eu excited state, the emission of the donor and the acceptor can be measured in time-gated mode such that most of the intrinsic fluorescence contributions have already decayed. This results in high sensitivity, excellent reproducibility and high data quality. This sensitive detection method enables protein concentrations below 20 nM.Protein, tracer and labeled antibody were obtained from commercial sources. The assay was performed in 384 low volume microtiter-plates with a final volume of 15 &#956;l. Dose response curves were generated from 16 compound dilutions in DMSO as solvent compound dilutions, a solution containing protein and labeled antibody, and a solution containing the tracer which is added in the last step. The fluorescence of donor and acceptor were then measured after one hour incubation at room temperature. Every assay run was quality-controlled with dose response curves for two reference compounds.
2573	1	RIPK2 Inhibition Assay	RIPK2 activity was measured using an indirect ELISA detection system. His RIPK2 (0.6 nM) was incubated in the presence of 6 &#956;M ATP (Sigma cat # A7699), 20 mM Hepes, pH 7.5, 1 mM EGTA, 2.5 mM MgCl2, 2.5 mM MnCl2 and 0.01% Triton X-100 in a 96 well microtitre plate pre-coated with amino terminal 6 histidine, sumo tagged TTK (amino acid residues 1-275). The reaction was allowed to proceed for 30 minutes, followed by 5 washes of the plate with Wash Buffer (phosphate buffered saline supplemented with 0.2% Tween 20), and incubation for 30 minutes with a 1:3000 dilution of primary antibody (Cell Signaling cat #9381). The plate was washed 5 times with Wash Buffer, incubated for 30 minutes in the presence of secondary antibody coupled to horse radish peroxidase (BioRad cat #1721019, 1:3000 concentration), washed an additional 5 times with Wash Buffer, and incubated in the presence of TMB substrate (Sigma cat # T0440). The colorimetric reaction was allowed to continue for 5 minutes, followed by addition of stop solution (0.5 N H2SO4), and quantified by detection at 450 nm with either a monoChromatic or filter based plate reader (Molecular Devices M5 or Beckman DTX880, respectively).
2574	1	IMAP TR-FRET-based phosphodiesterase assay	An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate by immobilized metal (MIII) coordination complexes on nanoparticles. The IMAP binding reagent recognizes phosphate groups on AMP or GMP generated from cAMP or cGMP in a PDE reaction. Cyclic nucleotides that carry a phosphodiester bond and not a free phosphate are not recognized by the binding reagent. The time resolved fluorescence resonance energy transfer (TR-FRET) is afforded by a Terbium (Tb)-Donor pre-bound to the nanoparticles. FRET occurs when the fluorescent-labeled AMP or GMP product of a PDE reaction binds and comes into close proximity to the Tb-Donor complex. Due to the long lifetime of Tb fluorescence, detection can be run in time-resolved mode to reduce or eliminate interference from auto-fluorescent compounds.The IMAP TR-FRET PDE2A assay was performed in 1536-well white plates. A total of 250 pg per well of FLAG-tagged PDE2A1 (amino acids 2-941) was dispensed in 2.5 &#956;L IMAP assay buffer consisting of 10 mM Tris pH 7.2, 10 mM MgCl2, 1 mM DTT, and 0.1% fatty acid free BSA. 30 nL of compound was then added from 1 mM stocks in DMSO using a Kalypsys Pintool. Plates were incubated for 5 min at room temperature before dispensing 1.5 &#956;L of 533 nM FAM-cAMP substrate for a final concentration of 200 nM. Following a brief centrifugation, plates were incubated for 30 min at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent Tb complex to each well which was prepared according to manufacturer&#39;s recommendations (Molecular Devices). Plates were incubated an additional 90 minutes at room temperature and read on a Viewlux plate reader. All compounds were solvated at a concentration of 10 mM in DMSO and tested in 11-point half-log dose-response. Curve fitting and IC50 values were determined using a standard four parameter fit.
2576	1	Btk Enzyme Activity	Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Btk enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Btk enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in Btk IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
2576	2	Lck Enzyme Activity	Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Lck enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Lck enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 24 &#956;M ATP in KR-buffer (final ATP concentration is 6 &#956;M ATP, Km ATP in Lck IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
2576	3	Src Enzyme Activity	Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.8 U/mL Src enzyme (final concentration in the assay is 0.2 U/mL). Test compounds and Src enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 16 &#956;M ATP in KR-buffer (final ATP concentration is 4 &#956;M ATP, Km ATP in Src IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
2576	4	FynT Enzyme Activity	FynT enzyme (Biomol catalog #SE-287), is diluted to 0.5 &#956;g/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.5 &#956;g/mL FynT enzyme (final concentration in the assay is 125 ng/mL). Test compounds and FynT enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 0.8 &#956;M ATP in KR-buffer (final ATP concentration is 0.2 &#956;M ATP, Km ATP in FynT IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
2576	5	Lyn Enzyme Activity	Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 250 mU/mL Lyn enzyme (final concentration in the assay is 62.5 mU/mL). Test compounds and Lyn enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 8 &#956;M ATP in KR-buffer (final ATP concentration is 2 &#956;M ATP, Km ATP in Lyn IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. EC50 values are determined by curve fitting of the experimental results using Activity Base.
2580	1	In Vitro Raf Activity	Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 5 ml per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.25 ml of 40× of a Raf kinase inhibitor test compound diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature. The Raf kinase activity reaction was started by the addition of 5 mL per well of 2×ATP diluted in assay buffer. After 3 hours (b-Raf(V600E)) or 1 hour (c-Raf). The reactions were stopped and the phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 10 mL to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:2000 dilution of both beads) in Stop/bead buffer (25 mM EDTA, 50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and incubated for 1 hour at room temperature, then the luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
13190	1	Evaluation of the Gmps Inhibitors Potency	The potency of the five compounds was tested against recombinant GMPS in an enzymatic assay by monitoring UV absorbance at 290 nm and by determining an IC50. The IC50 values obtained are summarized in Table 3. Three compounds (1, 2 and 4) inhibited GMPS with nanomolar IC50 values while the other two (3 and 5) were found less active. The structure-activity relationship (SAR) indicated that the chloroacetamide group is essential for potent binding to GMPS.
13191	1	HTRF assay	Biochemical assays were conducted in Greiner white 384 well HiBase plates (Cat. No 784075-25) in 10 μL total volume. A one pot detection solution of CRBN-DDB1 (2.5 nM), Anti-His Terbium Cryptate Gold (1×, PerkinElmer Cat. #: 61HI2TLB), and Cy5-Thalidomide (100 nM, Tenova Cat.: T52461) was prepared in 20 mM HEPES, 20 mM NaCl, 0.2 mM TCEP, 0.2 mM EDTA, and 0.005% Tween20 was dispensed to each assay plate. Compounds were stored in dry, ambient temperatures at 10 mM. A 10-point, 1:3 dilution series was prepared from 10 mM stock concentrations in Echo-compatible LDV plates. 10 nL of each compound dilution series was dispensed into assays wells using an Echo 650 (Labcyte inc. USA). 10 nL of 10 mM Lenalidomide was transferred into the active-control wells for the assay and 10 nL of DMSO was transferred into the neutral-control wells. The assay was then allowed to incubate for 30 min at ambient temperature after transferring compound. Plate measurements were taken on a Pherastar FSX (BMG Labtech, Germany) using the HTRF Red filter (Ex. 337 nm, em1: 620 nm, em2: 665 nm) (Flashes: 50, Integration time: 60-400 us, Z-height: 10 mm, Ratio-multiplier: 10,000).
2582	1	HIV Cell Culture Assay	MT-2 cells and 293T cells were obtained from the NIH AIDS Research and Reference Reagent Program. MT-2 cells were propagated in RPMI 1640 media supplemented with 10% heat-inactivated fetal bovine serum, 100 &#956;g/mL penicillin G and up to 100 units/mL streptomycin. The 293T cells were propagated in DMEM media supplemented with 10% heat-inactivated fetal bovine serum (FBS), 100 units/mL penicillin G and 100 &#956;g/mL streptomycin. The proviral DNA clone of NL4-3 was obtained from the NIH AIDS Research and Reference Reagent Program. A recombinant NL4-3 virus, in which a section of the nef gene from NL4-3 was replaced with the Renilla luciferase gene, was used as a reference virus. In addition, residue Gag P373 was converted to P373S. Briefly, the recombinant virus was prepared by transfection of the altered proviral clone of NL4-3. Transfections were performed in 293T cells using LipofectAMINE PLUS from Invitrogen (Carlsbad, Calif.), according to manufacturer&#39;s instruction. The virus was titered in MT-2 cells using luciferase enzyme activity as a marker. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.), with modifications to the manufacturer&#39;s protocol. The diluted Passive Lysis solution was pre-mixed with the re-suspended Luciferase Assay Reagent and the re-suspended Stop & Glo Substrate (2:1:1 ratio). Fifty (50) &#956;L of the mixture was added to each aspirated well on assay plates and luciferase activity was measured immediately on a Wallac TriLux (Perkin-Elmer). Antiviral activities of inhibitors toward the recombinant virus were quantified by measuring luciferase activity in cells infected for 4-5 days with NLRluc recombinants in the presence serial dilutions of the inhibitor.
2586	1	Gal4 LXRbeta Cotransfection Assay	For transient transfection of HEK 293 cells, 6×103 cells are plated into 96-well dishes. Each well is transfected with 25 ng 5×UAS-luciferase reporter (pG5luc) and 25 ng of pM human LXR&#946; (AA 153-461) LBD plasmid using Fugene 6 reagent (Roche; Indianapolis, Ind.). The chimeric protein is assessed for the ability to transactivate a Gal4-responsive luciferase reporter plasmid in a concentration-responsive manner to compounds (0.01-10 &#956;M). Luciferase activity at each dose concentration is measured in triplicate using standard substrate reagents (BD Biosciences; San Diego, Calif.).
2587	1	In Vitro Measure of Sodium Channel Blocking Activity and Reversibility	One assay used to assess mechanism of action and/or potency of the compounds of the present invention involves the determination of lumenal drug inhibition of airway epithelial sodium currents measured under short circuit current (ISC) using airway epithelial monolayers mounted in Using chambers. This assay is described in detail in Hirsh, A. J., Zhang, J., Zamurs, A., et al. Pharmacological properties of N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N&#8242;-4-[4-(2,3-dihydroxypropoxy)phenyl]butyl-guanidine methanesulfonate (552-02), a novel epithelial sodium channel blocker with potential clinical efficacy for CF lung disease. J. Pharmacol. Exp. Ther. 2008; 325(1): 77-88. Cells obtained from freshly excised human, dog, sheep or rodent airways are seeded onto porous 0.4 micron Snapwell Inserts (CoStar), cultured at air-liquid interface (ALI) conditions in hormonally defined media, and assayed for sodium transport activity (ISC) while bathed in Krebs Bicarbonate Ringer (KBR) in Using chambers. All test drug additions are to the lumenal bath with half-log dose addition protocols (from 1×10&#8722;11 M to 3×10&#8722;5 M), and the cumulative change in ISC (inhibition) recorded. All drugs are prepared in dimethyl sulfoxide as stock solutions at a concentration of 1×10&#8722;2 M and stored at &#8722;20° C. Eight preparations are typically run in parallel; two preparations per run incorporate amiloride and/or benzamil as positive controls. After the maximal concentration (5×10&#8722;5 M) is administered, the lumenal bath is exchanged three times with fresh drug-free KBR solution, and the resultant ISC measured after each wash for approximately 5 minutes in duration. Reversibility is defined as the percent return to the baseline value for sodium current after the third wash. All data from the voltage clamps are collected via a computer interface and analyzed off-line.Dose-effect relationships for all compounds are considered and analyzed by the Prism 3.0 program. IC50 values, maximal effective concentrations, and reversibility are calculated and compared to amiloride and benzamil as positive controls.
2588	1	Measurement of Calcium Channel Flux by Means of FLIPR Assay	Stock solutions of test compounds are prepared to a concentration of 10 mM in DMSO. For the Cav3.2 assay, serial dilutions of the compounds are prepared in TEAC buffer (100 mM tetraethylammonium chloride; 20 mM Hepes; 2.5 mM CaCl2; 5 mM KCl; 1 mM MgCl2; 1% FBS; pH 7.2), for the Cav1.2 assay serial dilutions are prepared in assay buffer. Test compounds are added to the cells to give a 3-fold dilution range from 10 &#956;M to 0.05 nM. The compounds are incubated with the cells for 3 minutes and Ca2+ entry is stimulated by adding either CaCl2 to a final concentration of 10 mM (Cav3.2 assay) or by adding KCl to a final concentration of 20 mM (Cav1.2 assay). The kinetics of fluorescence increase are recorded for every well and the area under the fluorescence trace for every compound concentration is used to generate inhibition curves using non-linear regression sigmoidal concentration-response curve analysis with in-house software. IC50 values are calculated and represent the compound concentration required to inhibit 50% of the signal that is obtained in the presence of vehicle instead of test compound. In analogy, antagonistic activities (IC50 values) of all exemplified compounds have been measured for the for the Cav3.1- and the Cav3.3-channel. Antagonistic activities (IC50 values) of all exemplified compounds are in the range of 1.7 to 970 nM with respect to Cav3.1; and in the range of 1.1 to 620 nM with respect to Cav3.3.
2590	1	In Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assays	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05M acetate, pH 4.5, 8% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 590 nm).
2590	3	In Vitro Enzymatic Cathepsin D (Cat D) FRET (Fluorescence Resonance Energy Transfer) Assay	Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The CatD substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).Alternatively, a CatD assay may also be run according to the procedure described in the article, Characterization of new fluorgenic substrates for the rapid and sensitive assay of cathepsin E and cathepsin D, J. Biochem., 125:1137, 1999. In addition, the CatD and cathepsin E assays are described in PCT publication WO2011069934. This WIPO publication describes BACE inhibitor compounds having an amide linker connecting two aromatic groups with extremely poor CatD and/or cathepsin E inhibitory activity (see Table 2).Where available, the in-vitro CatD FRET assay data for each of the Examples, conducted by the first procedure, is provided in Table 1. As shown by the high micromolar CatD data (very poorly active or inactive against CatD), the compounds of the present invention possess the unexpected property of little to no ability to inhibit the activity of CatD. Thus, with this surprising selectivity profile, the compounds of the present invention are believed to minimize, reduce or completely eliminate any risk of retinal atrophy and abnormal development of the eye and of the retinal pigmented epithelium as it relates to the normal function and activity of CatD.
2592	1	[3H]-M-MPEP Radioligand Binding Assay	After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &#956;g protein per well. Saturation isotherms were determined by the addition of various concentrations (0-50 nM) of [3H]-M-MPEP (Gasparini et al. Bioorg. Med. Chem Lett. 2002, 12, 407-409) in a total reaction volume of 250 &#956;L for 90 min at rt. At the end of the incubation, membranes were filtered onto a 96-well GF/B filter pre-incubated with 0.1% polyethylenimine, with a Tomtec cell harvester and washed 5 times with 0.5 mL distilled water. Non-specific binding (NSB) was measured in the presence of 0.1 mM MPEP hydrochloride (Tocris bioscience, catalogue number 1212). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For competition binding experiments, membranes were incubated with [3H]-M-MPEP at a concentration equal to the KD value of the radioligand and 10 concentrations of the inhibitory compound (typically between the ranges of 0.1 mM-3.16 pM). IC50 values were derived from the inhibition curve and the equilibrium dissociation constant (Ki) values were calculated using the Cheng-Prussoff equation. The pKi values (where pKi=&#8722;log10 Ki) of certain compounds of the invention are tabulated below.
2593	1	Time-Resolved Fluorescence Energy Transfer Assay	Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-resolved fluorescence energy transfer assay. The assay was carried out in reactions (10 &#956;L) containing 0.0625 nM B-Raf or 0.5 nM C-Raf, 25 mM Tris pH7.4, 10 mM MgCl2, 0.5 mM EGTA, 0.5 mM Na3BO4, 5 mM beta-glycerophosphate, 0.01% Triton X-100, 2.5 mM DTT, 0.1% BSA, 0.1 mM ATP, 13.7 nM GST-tagged MEK1 (Full-length protein with K97R mutation, recombinant protein purified from bacterial expression system) and 0-5 &#956;M compounds disclosed herein (final concentration of 1% DMSO). The enzyme was incubated with the compounds at room temperature for 60 minutes and the reactions were initiated by the addition of ATP and GST-MEK1. After incubating at room temperature for 60 minutes, an equal volume of stop buffer containing 25 mM Tris pH7.4, 400 mM KF, 50 mM EDTA, 0.01% BSA, 0.01% Triton X-100, 1 test of Eu3+ Cryptate-conjugated rabbit polyclonal antibody anti-Phospho MEK1/2 (Ser217/221) and 1 test of d2-conjugated mouse monoclonal antibody anti-glutathione S-transferase was added to stop the reactions. Plates were sealed and incubated at room temperature for 2 hours, and then the TR-FRET signals were read on BMG PHERAstar FS instrument. 
2594	1	ELISA Assay	Four hours later, serial dilutions of 10× compound stocks were made in growth medium from 500×DMSO stocks, and 20 &#956;L of those 10× stocks were added to each well to make final concentrations as follows (&#956;M): 20, 6.67, 2.22, 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, and 0. Each concentration had duplicated wells. About 20 hours later, medium was removed by suction and each well was supplied with 180 &#956;L of growth medium. About 20 &#956;l freshly-made 10× compound stocks were added to each well. About 24 hours later, cell culture medium was removed for the determination of VEGFA concentration using an ELISA kit purchased from R&D systems by following the manufacturer&#39;s suggested method. The EC50 was calculated by GraphPad Prism using the dose-response-inhibition (four parameter) equation. The cell seeded plate was then subjected to CellTiter-Glo luminescence cell viability assay (Promega) by adding 50 &#956;L of Celltiter Glo reagent into each well and shaking the plate for 8 minutes at 550 rpm (Thermomixer R, Eppendorf) then read luminescence signal in plate reader (3 second delay, 0.5 second/well integration time, Synergy 2 multi Detection Microplate reader) immediately.
2601	1	Kinase Binding Assay	TrkA binding activity was determined in a TrkA LanthaScreen Eu Kinase Binding Assay. 5 nM His-tagged recombinant human TrkA (6HIS tagged cytoplasmic domain from Invitrogen, Catalog No. PV3144) was incubated with 4 nM Alexa-Fluor Tracer 236 (Invitrogen Cat. No. PV5592), 2 nM biotinylated anti-His (Invitrogen Cat. No. PV6090), and 2 nM europium-labeled Streptavidin (Invitrogen Cat. No. PV5899), in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). Three fold serial dilutions of compounds of the invention in DMSO were added to a final percentage of 2% DMSO. After 60-minute incubation at 22° C., the reaction was measured using the EnVision mutlimode plate reader (PerkinElmer) via TR-FRET dual wavelength detection at 615 nM and 665 nM. The percent of control was calculated using a ratiometric emission factor. 
2604	1	FBXL10 Assay	The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 nM FBXL10, 30 nM H3K36me2-biotin labeled peptide (Anaspec cat #64442), 0.2 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, 5 uM ammonium iron(II) sulfate. Reaction product is determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K36me1 antibody, AlphaScreen Streptavidin-coated Donor beads, and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA to final 10 ug/ml beads.
2604	2	PHF8 Assay	PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM PHF8, 200 nM H3K9me1-biotin labeled peptide (Anaspec cat #64358), 0.5 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, and 5 uM ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified-histone H3 lysine 9/lysine27 (H3K9/K27) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 0.5 nM, respectively.The assay reaction was initiated by the following: 2 ul of the mixture of 600 nM H3K9me1-biotin labeled peptide and 1.5 uM alpha-ketoglutaric acid with 2 ul of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 ul of 9 nM PHF8 to initiate the reaction. The reaction mixture was incubated at room temperature for 15 minutes, and terminated by the addition of 6 ul of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 1 nM Europium-anti-unmodified H3K9/K27 antibody. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2604	3	FBXL11 Assay	PHF8 Assay: The ability of test compounds to inhibit the activity of PHF8 was determined in 384-well plate format under the following reaction conditions: 3 nM PHF8, 200 nM H3K9me1-biotin labeled peptide (Anaspec cat #64358), 0.5 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, and 5 uM ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified-histone H3 lysine 9/lysine27 (H3K9/K27) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 0.5 nM, respectively.The assay reaction was initiated by the following: 2 ul of the mixture of 600 nM H3K9me1-biotin labeled peptide and 1.5 uM alpha-ketoglutaric acid with 2 ul of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 ul of 9 nM PHF8 to initiate the reaction. The reaction mixture was incubated at room temperature for 15 minutes, and terminated by the addition of 6 ul of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 1 nM Europium-anti-unmodified H3K9/K27 antibody. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2604	4	Jarid1B Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, and 2 uM ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.
2604	5	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, and 2 uM ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.
2604	6	JMJD3 Assay	The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 1 nM JMJD3, 250 nM H3K27me3-biotin labeled peptide (Anaspec cat #64367), 1 uM alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 uM sodium L-ascorbate, 5 uM ammonium iron(II) sulfate. Reaction product is determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K27me1 antibody, 5 ug/ml AlphaScreen Streptavidin-coated Donor beads, and 5 ug/ml AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 10 mM EDTA, 2 mg/ml BSA.
2617	1	Radiometric Filter-Binding Assay	Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 &#956;L of the compound pre-diluted with 10 &#956;L of ATP (20 &#956;M ATP with 0.1 &#956;Ci [&#947;-33P]-ATP) with the phospho-acceptor peptide poly[Ala6Glu2LysHBr5Tyr1]=polyAEKY) in 20 mM Tris/HCl pH 7.5, 1 mM DTT, 10 mM MgCl2, 0.01 mM Na3VO4, 50 mM NaCl. 10 &#956;L of enzyme (ranging between 5 nM to 20 nM) was added to initiate the reaction. Pre-incubation of enzyme with compounds (when stated) was performed by exposing the enzyme to compounds prior to addition of the substrate mixture (ATP and/or peptide substrate). After 15 min at room temperature, the reaction was stopped by the addition of 50 &#956;L 125 mM EDTA, and the peptide-bound 33P separated on filter-plates (PVDF or MAIP; Millipore, Volketswil, Switzerland) prepared according to the manufacturer&#39;s instructions. Filter-plates were washed 3× with 0.5% H3PO4, followed by addition of 30 &#956;L scintillation cocktail (Microscint, Perkin Elmer) per well and then analysed in a TopCount NXT scintillation counter (Perkin Elmer). Results were expressed as IC50 values. 
2617	2	Caliper Assay	Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &#956;L per well of peptide/ATP-solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &#956;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 4 &#956;M ATP, 4 &#956;M peptide (FITC-Ahx-EAIYAAPFAKKK-NH2)) and 4.5 &#956;L per well of enzyme solution (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &#956;M sodium orthovanadate, 20 mM MgCl2, 2 mM MnCl2, 3.5 nM ABL (ABL(64-515), produced in-house from E. coli)). Kinase reactions were incubated at 30° C. for 60 minutes and subsequently terminated by addition of 16 &#956;L per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstations for reading. Phosphorylated and unphosphorylated peptides were separated using the Caliper microfluidic mobility shift technology.
2619	1	TrkA Receptor 	TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells are express TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX calls Prolink (PK) ; additionally, Shc1 is fused with a larger fragment, which is called Enzyme Acceptor (EA) . Activation of the TrkA receptor, upon NGF addition, results in the kinase domain being phosphorylated, resulting in subsequent recruitment of Shc1-EA protein. That recruitment results in an active B-galactosidase enzyme that is detected by addition of a chemiluminescent substrate.All reagents were purchased from DiscoverX, except for the receptor agonists (NGF, BDNF, NT3) which were purchased from Peprotech. Cells were expanded and frozen into cryovials (TrkA p75 @ passage 13, 1.5×10^7 cells/vial; TrkC p75 @ passage 11, 1.5×10^7 cells/vial in InVitrogen Recovery Cell Freezing media), and stored in the vapor phase of liquid nitrogen, and thawed immediately before use. Thawed cells were added to a 384-well plate (BD Falcon 384-well white/clear, TC surface 120 uL assay plates (353963), 20 uL of 0.375e6 cells/mL=>7500 cells/well), and allowed to incubate overnight. Compound (10 mM starting dose: 202.5 nL compound yielding 0.81% DMSO final in total assay volume and starting doses 81 uM) was added the following morning and allowed to incubate on cells for 1 hour. Then, 5 uL EC80 of agonist (NGF for TrkA; BDNF for TrkB; NT3 for TrkC) was added and allowed to incubate for 3 hours at room temperature. DiscoverX PathHunter detection reagent is added (12 uL to plate and components diluted in parts as per kit instructions) and the plate is further incubated for 1 hour in the dark. The plate is read via luminescence on the Perkin Elmer Envision.
2623	1	Fluorescent Polarization Binding (FP Binding) assay	Test compounds were diluted in DMSO and 0.1 &#956;L of solution was dispensed to each well of a 384-well white solid microplate. The assay buffer was 50 mM HEPES pH 7.5, 50 mM NaCl, 30 mM MgCl2. The buffer was supplemented with 0.02% CHAPS, 0.01% of Pluronic F127, 0.1 mg/mL BSA and 1 mM DTT. MnCl2, 5 mM, was included in the assay buffer on the day of the experiment. The enzymatic reaction comprised 1.5 &#956;g/mL GST-hRIPK1 (8-327) and 50 &#956;M ATP for receptor interacting protein kinase 1 and 15 &#956;M ATP. 5 &#956;L of enzyme and 5 &#956;L of ATP were added to the plate at twice the final assay concentration and incubated at room temperature for 3 hours. Following this reaction, 10 &#956;L of ADP-Glo reagent (Promega) was added to each well and incubated for 40 min at room temperature. This stops the kinase reaction and depletes any remaining ATP. 20 &#956;L of ADP-Glo detection reagent was then added to each well and incubated at room temperature for at least 15 minutes. The detection reagent converts ADP to ATP and introduces luciferase and luciferin to detect ATP. The luminescence is then measured with the Envision (PerkinElmer) plate reader. Test compound inhibition was expressed as percent inhibition of internal assay controls. For concentration response curves, normalized data is fit and IC50 determined using XL-fit (IDBS) for Excel. The IC50 were averaged to determine a mean value, for a minimum of two independent experiments.
2624	1	Kinase Enzymatic Assay	Kinase Enzymatic step assay Control (10 &#956;L) Sample Negative Positive Compound 4 &#956;L 4 &#956;L 2.5% 4 &#956;L 2.5% DMSO/kinase DMSO/kinase buffer buffer TK substrate-biotin 2 &#956;L 2 &#956;L 2 &#956;L Kinase 2 &#956;L 2 &#956;L kinase buffer 2 &#956;L The plate was sealed and incubated at room temperature for 10 minutes ATP 2 &#956;L 2 &#956;L 2 &#956;L The plate was sealed and incubated at room temperature for 20 minutes Detection step (10 &#956;L) Sa-XL665 5 &#956;L 5 &#956;L 5 &#956;L TK Ab-Cryptate 5 &#956;L 5 &#956;L 5 &#956;L The plate was sealed and incubated at room temperature for 1 hours Excited at 320 nm, emitted at 665 nm, 615 nm.
2625	1	Homogenous Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Technology	The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1.5 mM MgCl2, pH 7.4. PDE10A (BPS Bioscience) was used at 200 pg/well (with a specific activity of 3200 pmole/min/&#956;g with assay conditions: 10 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM MnCl2, 200 &#956;M cAMP, 2.5 kU 5&#8242; nucleotidase, 37° C., 20 min) and PDE4D3 (BPS Bioscience) was used at 100 pg/well (with a specific activity of 32713 pmole/min/&#956;g with assay conditions: 10 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM MnCl2, 200 &#956;M cAMP, 2.5 kU 5&#8242; nucleotidase, 37° C., 20 min). The Biotin-cAMP tracer, supplied in 10 mmol/L Tris-HCl buffered (pH 8.0) salt solution with 1 mmol/L ethylenediaminetetraacetic acid (EDTA), 0.1% bovine serum albumin (BSA), and 0.05% sodium azide, is used at a dilution of 1/375. The assay detection mixture contained the LANCE Eu-W8044 labeled streptavidin 1/2250 (supplied in 50 mmol/L Tris-HCl buffered (pH 7.8) salt solution with 0.9% sodium chloride (NaCl), 0.1% BSA, and 0.05% sodium azide) and the Alexa Fluor 647-anti cAMP antibody 1/200 (supplied in 50 mmol/L Tris-HCl buffered (pH 7.8) salt solution with 0.9% NaCl, 0.1% BSA, and 0.05% sodium azide). Chemical compounds were dissolved in DMSO (final concentration 2% (v/v)).
2626	1	Enzymatic Assay	FGFR1: In a final reaction volume of 30 &#956;L, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2626	2	Enzymatic Assay	FGFR2: In a final reaction volume of 30 &#956;L, FGFR2 (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 0.4 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2626	3	Enzymatic Assay	FGFR3: In a final reaction volume of 30 &#956;L, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 25 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2626	4	Enzymatic Assay	FGFR4: In a final reaction volume of 30 &#956;L, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2626	5	Enzymatic Assay	KDR (VEGFR2): In a final reaction volume of 30 &#956;L, KDR (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 3 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 120 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2627	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4mel-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.
2628	1	Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
2629	1	Radioligand dose-displacement binding assay	&#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
2629	2	Radioligand dose displacement assay	&#954;-Opioid: Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
2630	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm.
2630	2	Binding Assay	The ability of a compound to bind to TrkA was measured by Invitrogen&#39;s LanthaScreen Eu Kinase Binding Assay. In this assay, His-tagged recombinant human TrkA (cytoplasmic domain) from Invitrogen is incubated with Invitrogen&#39;s Alexa-Fluor Tracer 236, biotinylated anti-His, and europium-labeled Streptavidin, compound (2% DMSO final) in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). After a 60-minute incubation at 22° C., the reaction was measured using the EnVision via TR-FRET dual wavelength detection, and the POC was calculated from the emission ratio. The compound dose response data was fit to a 4-parameter logistic model and IC50 was defined as the concentration of compound at 50 POC.
2632	1	High-Throughput Assay	Please see Hutti, et al., (2012). Development of a High-Throughput Assay for Identifying Inhibitors of TBK1 and IKK&#949;.
2633	1	PHD enzymatic assay	The PHD enzymatic assay was performed in 0.5 ml of reaction mixture containing the following: purified PHD2181-417 polypeptide (3 &#956;g), synthetic HIF-1&#945; peptide comprising residues [KNPFSTGDTDLDLEMLAPYIPMDDDFQLRSFDQLS] (10 &#956;M, California Peptide Research Inc., Napa, Calif.), and [5-14C]-2-oxoglutaric acid (50 mCi/mmol, Moravek Chemicals, Brea, Calif.) in reaction buffer (40 mM Tris-HCl, pH 7.5, 0.4 mg/ml catalase, 0.5 mM DTT, 1 mM ascorbate) for 10 minutes. Compounds were pre-incubated for 30 min before starting the reaction (all test compounds were dissolved at 10 mM in 100% DMSO (w/v) and were tested with final compound concentrations at 100 &#956;M in 1% DMSO (w/v)). The reaction was stopped by addition of 50 &#956;l of 70 mM H3PO4 and 50 &#956;l of 500 mM NaH2PO4, pH 3.2. Detection of [14C]-succinic acid was achieved by separating from [5-14C]-2-oxoglutaric acid by incubating the reaction mixture with 100 &#956;l of 0.16 M DNP prepared in 30% perchloric acid. Next, 50 &#956;l of unlabeled 20 mM 2-oxoglutaric acid/20 mM succinic acid, serving as carrier for the radioactivity, was added to the mixture, and was allowed to proceed for 30 minutes at room temperature. The reaction was then incubated with 50 &#956;l of 1 M 2-oxoglutaric acid for 30 additional minutes at room temperature to precipitate the excess DNP. The reaction was then centrifuged at 2800×g for 10 minutes at room temperature to separate [14C]-succinic acid in the supernatant from the precipitated [14C]-dinitrophenylhydrazone. Fractions of the supernatant (400 &#956;I) were counted using a beta counter (Beckman Coulter, Fullerton, Calif.). Inhibition of PHD2181-417 activity was measured as a decrease in succinic acid production. The IC50 values were estimated by fitting the data to a three-parameter logistic function using GraphPad Prism, version 4.02 (Graph Pad Software, San Diego, Calif.).
2634	1	Kinase assay	KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site directed ligand. The assay is performed by combining three components: DNA-tagged kinase; immobilized ligand; and a test compound. The ability of the test compound to compete with the immobilized ligand is measured via quantitative PCR of the DNA tag.For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
2635	1	Sodium Influx Assay (In Vitro Assay)	This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which are maintained in an open state by use of sodium channel modulators. This high throughput sodium influx assay allows for rapid profiling and characterization of sodium channel blockers.In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#961;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
2635	2	Electrophysiological Assay (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay&#39;s), and allows the determination of the time-and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.1, NaV1.5 and NaV1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier.The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete. The voltage is then stepped back to a very negative (Vhold=&#8722;150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
2636	1	Biochemical Assay	The biochemical assay is in a AlphaScreen format. The kinase reaction is based on the IRAK-4 phosphorylation of a biotin labeled peptide. The phosphopeptide is incubated with anti-phosphothreonine antibody as well as streptavidin- and protein A-coated beads. Binding of the protein-A coated beads to the antibody and the streptavidin beads to the peptide, leads to an energy transfer from one bead to the other, ultimately producing a luminescent/fluorescent signal.Generally, the kinase reaction is carried out at 1 nM IRAK4, 1.6 &#956;M peptide, 1 mM ATP in reaction buffer 50 mM Hepes, 60 mM NaCl, 5 mM MgCl2, 0.25 mM MnCl2, 2 mM DTT, 0.01% BSA, 0.01% Tween-20) for 3.5 h at RT.
2637	1	25P Btk Enzyme Activity Assay	Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1000 nM to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA and 1 mM DTT) containing 26.67 pg/&#956;L (266.7 pM) of 25P Btk enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length Btk; MW=79378 Da). Following a 60 minute compound and enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2), and 100 &#956;M ATP. The final reaction in each well of 10 consists of 200 pM 25P Btk, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 120 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
2637	2	100P Btk Enzyme Activity Assay	Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay. In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in assay from 1000 nM to 0.017 nM) titration curve using the following outlined procedure. To each well of a black non-binding surface Corning 384-well microplate (Corning Catalog #3820), 5 nL of compound (2000 fold dilution in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 7.5 &#956;L of 1× kinase buffer (50 mM Hepes 7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 0.05% BSA & 1 mM DTT) containing 13.3 pg/&#956;L (133.3 pM) of 100P Btk enzyme (recombinant protein from baculovirus-transfected Sf9 cells: full-length Btk; MW=79378 Da). Following a 60 minute compound and enzyme incubation, each reaction was initiated by the addition of 2.5 &#956;L 1× kinase buffer containing 8 &#956;M biotinylated A5 peptide (Biotin-EQEDEPEGDYFEWLE-NH2) (SEQ.ID.NO.: 1) and 100 &#956;M ATP. The final reaction in each well of 10 consists of 100 pM 100P Btk, 2 &#956;M biotin-A5-peptide, and 25 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 45 minutes. Reactions were immediately quenched by the addition of 20 uL of 1× quench buffer (15 mM EDTA, 25 mM Hepes 7.3, and 0.1% Triton X-100) containing detection reagents (0.626 nM of LANCE-Eu-W1024-anti-phosphoTyrosine antibody, PerkinElmer and 86.8 nM of Streptavidin-conjugated Dylight 650, Dyomics/ThermoFisher Scientific). After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate:anti-phospho-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). IC50 values were determined by 4 parameter robust fit of TR-FRET ratio values vs. (Log10) compound concentrations.
2638	1	Ca Flux assay	To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to a concentration of approximately 200 pM in a buffered saline solution (e.g., RPMI supplemented with 0.5% BSA), and added to an equal volume of a suspension of cells (e.g., CEM cells at 5×106 cells/mL). The resulting mixture is incubated for a period of time (e.g., 2 hrs), and the unbound 125I-TARC or 125I-MDC is separated from the cells by filtration, e.g., by passage through GF/B filter plate (Packard Biosciences) pre-treated with 0.3% polyethyleneimine (Sigma), using a Packard Filtermate 96 (Packard Biosciences). The amount of 125I-TARC or 125I-MDC retained with the cells on the filterplate is measured by adding a small amount of scintillation fluid (e.g., 50 &#956;L of Microscint-20 Packard Biosciences)), and reading scintillation on appropriate detection equipment, e.g., a Packard TopCount 383 (Packard Biosciences).
2639	1	Kinase Binding Assays	Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction map for clinical kinase inhibitors, Nat. Biotechnol. 2005, 23(3):329-36). For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. Results for compounds tested in this assay are presented in Table 2. With this method, Example 20 also had a binding affinity with PLK4 kinase (Kd 2.9 nM).
2640	1	Mdm2-p53 Inhibition AlphaScreen	This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (PerkinElmer). A mix consisting of nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated p53-peptide and GST-MDM2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. Furthermore, a positive control (5% DMSO instead of test compound; with protein/peptide mix) is pipetted. Determination of IC50 values are carried out using GraphPad Prism 3.03 software (or updates thereof).
2641	1	Jak2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 &#956;L. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4210).
2641	2	TrkA ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
2641	3	TrkA and TrkB Omnia Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog#267462). Omnia Tyr Peptide #4 (for TrkA) or #5 (for TrkB), as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP for TrkA assay or 1 mM ATP for TrkB assay, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. IC50 values were calculated from these rates using either a 4 or 5-parameter logistic curve fit.
2641	4	Jak1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 5 nM Jak1 in a total volume of 20 &#956;L. GST-tagged human Jak1 kinase domain comprising amino acids 866-1154 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4774).
2641	6	Jak3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 1.5 nM Jak3 in a total volume of 20 &#956;L. GST-tagged human Jak3 kinase domain comprising amino acids 781-1124 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV3855).
2641	7	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 20 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from baculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). The histidine tag was cleaved after purification using standard conditions.
2643	1	FGFR Enzymatic Assay (pre-incubated for 4 hours)	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate.The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((LogIC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 &#956;M or less are considered active.
2643	2	FGFR Enzymatic Assay (pre-incubated for 10 minutes)	In the FGFR Enzymatic Assay after dilution in assay buffer, added to the plate and pre-incubated for 5 to 10 minutes.
2644	1	Wnt-Luc Reporter Assay	Human embryonic kidney 293 cells (obtained from American Type Culture Collection, ATCC, Manassas, Va.) are cultured in DMEM medium (Gibco/Invitrogen, Carlsbad, Calif.) supplemented with 10% FBS (Gibco/Invitrogen, Carlsbad, Calif.), 50 unit/mL penicillin and 50 &#956;g/mL of streptomycin (Gibco/Invitrogen, Carlsbad, Calif.) at 37° C. with 5% CO2 in air atmosphere. 293 cells in a 10 cm dish are co-transfected with 8 &#956;g of STF-reporter plasmid containing a luciferase gene driven by Wnt-responsive elements and 2 &#956;g of pcDNA3.1-Neo (Gibco/Invitrogen, Carlsbad, Calif.) with 30 &#956;L of FuGENE6 (Roche Diagnostics, Indianapolis, Ind.) following the manufacturer&#39;s protocol. Stable cell lines (293 Wnt-Luc) were selected with 400 &#956;g/mL of G418 (Gibco/Invitrogen, Carlsbad, Calif.). The 293 Wnt-Luc cells and L-cell Wnt3a cells (obtained from American Type Culture Collection, ATCC, Manassas, Va.) are trypsinized and co-cultured into a 384-well plate with DMEM medium supplemented with 2% FBS, and treated with different concentrations of a compound of the invention. After 24 hours, the firefly luciferase activities are assayed with the Bright-Glo Luciferase Assay System (Promega, Madison, Wis.). The IC50 is measured when the effect of the compound reduces the luminescence signal by 50%.
2646	1	TBD	TBD
2647	1	IPOne assay	IP1 accumulation measurements using the IPOne assay system 1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h before the assay in white 384-well plates in culture medium containing 10% FCS, 1% Na-Pyruvate and 400 &#956;g/mL G418. IP1 is assayed according to the manufacturer&#39;s description (Cisbio Bioassays, France). In brief, the assay is started by substitution of the culture medium by stimulation buffer (Hepes 10 mM, CaCl2 1 mM, MgCl2 0.5 mM, KCl 4.2 mM, NaCl 146 mM, glucose 5.5 mM and LiCl 50 mM, pH 7.4). Cells are stimulated for 1 h at 37° C., 5% CO2 by addition of the compounds that are diluted in stimulation buffer containing LiCl. Assays are stopped by adding HTRF-conjugates (IP1-d2 and Anti-IP1 cryptate Tb) and lysis buffer, provided by the manufacturer. After an incubation time of 1 h at room temperature plates are measured using an EnVision , Perkin Elmer. The obtained fluorescence ratios at 665/615 nM are then used to calculate the pEC50 values using Assay Explorer 3.3 Software (Accelrys, Inc.) by interpolation using an IP1 reference curve and subsequent sigmoidal curve fitting allowing for a variable hill slope.
2653	1	IDH1-R132H and IDH1-R132C Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 &#956;M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with the four parameter logistic equation.
2653	2	Cellular 2-HG Assay Using HCT116 Mutant IDH1 Cells	HCT116 isogenic IDH1-R132H and IDH1-R132C mutant cells were cultured in growth media (McCoy&#39;s 5 A, 10% fetal bovine serum, 1× antibiotic-antimycotic solution and 0.3 mg/mL G418) in 5% CO2 in an incubator at 37° C. To prepare the assay, cells were trypsinized and resuspended in assay media (McCoy&#39;s 5 A with no L-glutamine, 10% fetal bovine serum, 1× antibiotic-antimycotic solution and 0.3 mg/mL G418). An aliquot of 10,000 cells/100 &#956;L was transferred to each well of a clear 96-well tissue culture plate. The cells were incubated in 5% CO2 at 37° C. in an incubator overnight to allow for proper cell attachment. An aliquot of 50 &#956;L of compound containing assay media were then added to each well and the assay plate was kept in 5% CO2 at 37° C. in an incubator for 24 hours. The media was then removed from each well and 150 &#956;L of a methanol/water mixture (80/20 v/v) was added to each well. The plates were kept at &#8722;80° C. freezer overnight to allow for complete cell lysis. An aliquot of 125 &#956;L of extracted supernatant was analyzed by RapidFire high-throughout-mass spectrometry (Agilent) to determine the cellular 2-HG level. The IC50 of a given compound was calculated by fitting the dose response curve of cellular 2-HG inhibition at a given concentration with the four parameter logistic equation.
2654	1	Adenosine A2B Receptor Subtype Competition Radioligand Binding Assay	The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand, according to assay disclosed by Fredholm et al. (International Union of Pharmacology. XXV. Nomenclature and classification of adenosine receptors, Pharmacol Rev. 2001December; 53(4):527-52).
2654	2	Binding to Melatonin MT3 Binding Sites	The experiment of binding to MT3 sites was carried out on hamster brain membranes using [125I]2-iodomelatonin as radioligand in accordance with the protocol described by Pickering, D. S et al. (Pickering, D. S et al, 1990, Pharmacological characterization of melatonin binding sites in Syrian hamster hypothalamus, Eur J Pharmacol. 1990 Jan. 3; 175(1):71-7).
2658	1	HTRF KinEASE Assay 	ASK1 was purchased from Thermofisher (Catalogue # PV4011), ATP was purchased from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue # #6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. IC50 was determined by XLfit 5.3.
2659	1	Biological Assays for TBK1 and IKKe	Enzymatic activity of IKK&#949; and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate. An increase in the amount of phopshorylated peptide results in an increase in TR-FRET signal. TBK1 and IKK&#949; were expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from Cisbio. TBK1 and IKK&#949; enzymes were assayed under initial rate conditions in the presence of 2× Km ATP (40-80 &#956;M) and 1 &#956;M peptide, hepes (pH 7), 0.1 mM orthovanadate, 0.02% NaN3, 0.01% BSA, 10 mM MgCl2, 0.01% (v/v) tritonX, 1 mM dithiothreitol, 0.5% (v/v) DMSO at the following concentrations for each enzyme: TBK1 at 2.5 nM and IKK&#949; at 0.3 nM. After an assay reaction time of 240 minutes at 25° C., reactions were terminated with EDTA.Amount of phosphorylated peptide was determined by the addition of 125 nM streptavidin XL665 and europium cryptate labeled anti-phospho monoclonal antibody and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. These assays generally produced results within 3-fold of the reported mean.
2659	2	Biological for hJAK2	Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate (PTK). An increase in the amount of phopshorylated peptide results in an increase in TR-FRET signal. hJAK2 was expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from PerkinElmer. hJAK2 enzyme was assayed under initial rate conditions in the presence of 2×Km ATP (30 &#956;M) and 1 &#956;M peptide, 50 mM Tris-Cl (pH 7.5), 10 mM MgCl2, 1mM dithiothreitol, 0.01% BSA, 0.05% (v/v) DMSO at the following concentration of enzyme: hJAK2 at 0.3 nM. After an assay reaction time of 40 minutes at 25° C., reactions were terminated with EDTA and LANCE Detection Buffer.Amount of phosphorylated peptide was determined by the addition of 20 nM SA-APC and 1 nM europium cryptate labeled anti-phospho PTK monoclonal antibody PY66 and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. These assays generally produced results within 3-fold of the reported mean.
2661	3	Inhibition Assay	PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 &#956;M ATP (Sigma cat#A7699), 50 mM HEPES-Na2+ pH 7.4, 10 mM MgCl2, 0.01% Brij 35 (Sigma cat#03-3170), in a 96 well microtitre plate pre-coated with MBP (Millipore cat#30-011). The reaction was allowed to proceed for 30 minutes, followed by 5 washes of the plate with Wash Buffer (50 mM TRIS-C1 pH 7.4 and 0.2% Tween 20), and incubation for 30 minutes with a 1:3000 dilution of primary antibody (Cell Signaling cat#9381). The plate was washed 5 times with Wash Buffer, incubated for 30 minutes in the presence of secondary antibody coupled to horse radish peroxidase (BioRad cat#1721019, 1:3000 concentration), washed an additional 5 times with Wash Buffer, and incubated in the presence of TMB substrate (Sigma cat#T0440). The colourimetric reaction was allowed to continue for 5 minutes, followed by addition of stop solution (0.5 N sulphuric acid), and quantified by detection at 450 nm with either a monochromatic or filter based plate reader (Molecular Devices M5 or Beckman DTX880, respectively).
2661	6	Inhibition Assay	Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer&#39;s instructions with 128 &#956;M ATP and 28 nM Aurora B (Invitrogen cat #PV3970). The % inhibition values were determined according to the manufacturer&#39;s directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS)
2661	5	Inhibition Assay	Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer&#39;s instructions with 20 &#956;M ATP and 12 nM Aurora A (Invitrogen cat #PV3612). The % inhibition values were determined according to the manufacturer&#39;s directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS)
2661	4	Inhibition Assay	The enzymatic activity of FLT3 was determined using the Z-Lyte assay kit from Invitrogen (Invitrogen cat #PV3191). The assay was performed using the recommended manufacturer's instructions with 117.5 uM ATP and 1 nM FLT3 (Invitrogen cat #PV3182). The % inhibition values were determined according to the manufacturer's directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS).
2662	1	ELISA Assay	About 7500 of 786-0 cells in 180 &#956;L of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-200-566, Fisher scientific) in the layout presented in FIG. 9.Four hours later, serial dilutions of 10× compound stocks were made in growth medium from 500×DMSO stocks, and 20 &#956;L of those 10× stocks were added to each well to make final concentrations as follows (&#956;M): 20, 6.67, 2.22, 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, and 0. Each concentration had duplicated wells. About 20 hours later, medium was removed by suction and each well was supplied with 180 &#956;L of growth medium. About 20 &#956;M freshly-made 10× compound stocks were added to each well. About 24 hours later, cell culture medium was removed for the determination of VEGFA concentration using an ELISA kit purchased from R&D systems by following the manufacturer&#39;s suggested method. The EC50 was calculated by GraphPad Prism using the dose-response-inhibition (four parameter) equation. The cell seeded plate was then subjected to CellTiter-Glo luminescence cell viability assay (Promega) by adding 50 &#956;L of Celltiter Glo reagent into each well and shaking the plate for 8 minutes at 550 rpm (Thermomixer R, Eppendorf) then read luminescence signal in plate reader (3 second delay, 0.5 second/well integration time, Synergy 2 multi Detection Microplate reader) immediately.
2663	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2663	2	In Vitro Enzyme Inhibition Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2663	3	In Vitro Enzyme Inhibition Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2663	4	In Vitro Enzyme Inhibition Assay	The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 nM FBXL10, 30 nM H3K36me2-biotin labeled peptide (Anaspec cat #64442), 0.2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K36me1 antibody, AlphaScreen Streptavidin-coated Donor beads, and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA to final 10 &#956;g/ml beads.The assay reaction was initiated by the following: 3 &#956;l of the mixture of 90 nM H3K36me2-biotin labeled peptide and 0.6 &#956;M alpha-ketoglutaric acid with 3 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of 384 well Proxiplate (Perkin Elmer), followed by the addition of 3 &#956;l of 0.9 nM FBXL10 to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 3 &#956;l of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA containing appropriate dilution of anti H3K36me1 antibody. Plates were incubated at room temp for 40 min, followed by addition of 3 &#956;l of 50 &#956;g/ml AlphaScreen Streptavidin-coated Donor beads and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates were read by EnVisionMultilabel Reader in AlphaScreen mode after a minimum of 2 hr or up to overnight incubation at room temp. The AlphaScreen signal for each well was used to determine inhibition constant (IC50).
2663	5	In Vitro Enzyme Inhibition Assay	The ability of test compounds to inhibit the activity of JMJD2A was determined in 38-well plate format under the following reaction conditions: 2 nM JMJD2A, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 6 nM JMJD2A to initiate the reaction. The reaction mixture was incubated at room temperature for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2664	1	Inhibition Assay	The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening assay as known in the art.
2665	1	Apoptosis Signal-Regulating Kinase Assay	The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on HTRF KinEASE&#153;-STK manual from Cisbio. Test compound, 1 &#956;M STK3 peptide substrate, 4 nM of ASK1 kinase were incubated with 10 mM MOP buffer, pH. 7.0 containing 10 mM Mg-acetate, 0.025% NP-40, 1 mM DTT, 0.05% BSA and 1.5% glycerol for 30 minutes then 100 &#956;M ATP was added to start the kinase reaction and incubated for 3 hr. Peptide antibody labeled with 1× Eu3+ Cryptate buffer containing 10 mM EDTA and 125 nM Streptavidin XL665 were added to stop the reaction and phosphorylated peptide substrate was detected using Envision 2103 Multilabeled reader from PerkinElmer. The fluorescence was measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm was calculated for each well. The resulting TR-FRET level (a ratio of 665 nm/615 nm) was proportional to the phosphorylation level. Under these assay conditions, the degree of phosphorylation of peptide substrate was linear with time and concentration for the enzyme. 
2673	1	In Vitro Kinase Assay	MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion proteins and the GST tag was removed using PreScission protease. After concentration to 10-15 mg/ml the proteins were flash frozen in liquid nitrogen and stored at &#8722;80° C. MNK1 and MNK2 were activated using recombinant ERK2 which was activated using a constitutively active mutant of MEK1, both ERK2 and MEK1 were expressed in E. coli as N-terminally his tagged proteins. Recombinant ERK2 was activated by incubating 11.3 &#956;M of the kinase with 1 &#956;M MEK1 and 100 &#956;M ATP. This reaction mixture was then used immediately for the activation of the MNKs. The activation of the MNK1 was performed by incubating 5.0 &#956;M of MNK1 with 0.3 &#956;M of activated ERK2 and 500 &#956;M ATP at 30° C. for 6 hours. The activation of MNK2 was performed by incubating 50 &#956;M of MNK2 with 3.0 &#956;M of activated ERK2 and 500 &#956;M ATP at 30° C. for 2 hours. The activated MNKs were stored at &#8722;20° C. until required for assay.
2675	1	In Vitro Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.).
2684	1	Scintillation Proximity Assay 	The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine or [3H]citalopram binding assays in recombinant human DAT, NET and SERT membranes with the SPA technology. The final assay volume is 50 &#956;L in 384 well plates.Briefly, 0.5 &#956;L of test compound in neat DMSO or 0.5 &#956;L of DMSO for total binding (TB) or 0.5 &#956;L of indatraline 1 mM (10 &#956;M final concentration) for non specific binding (NSB) are added to the assay plate. 50 &#956;L of the SPA mixture is added to each well, containing: 30 &#956;g/mL or 10 &#956;g/mL or 25 &#956;g/mL DAT, NET, SERT membranes, respectively; 5 nM [3H]WIN-35,428 or 5 nM [3H]nisoxetine or 1 nM [3H]citalopram, for DAT, NET, SERT assay, respectively; 2.5 mg/mL or 1 mg/mL or 4 mg/mL WGA-PVT SPA beads (PerkinElmer RPNQ0001, for DAT, NET, SERT assay, respectively. All components are added to Assay Buffer (20 mM HEPES pH 7.4, 145 mM NaCl, 5 mM KCl, 0.01% Pluronic F-127). 0.02% BSA was used for DAT binding only. Plates are sealed with Topseal A and centrifuged 1 min, 800 rpm. Plates are loaded into a 1450 Microbeta TriLux (Perkin-Elmer) plate reader and the radioactivity counted after at least 4 hrs or overnight incubation at room temperature. Curve fitting and IC50 estimations are performed using a four parameter model in XLfit (IDBS, Guilford, UK) for Microdoft Excel (Microsoft, Redmond, Wash.).
2685	1	Enzyme Inhibition	The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial dilutions of HDAC inhibitors were prepared in HDAC assay buffer (25 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, pH 8) in 96-well assay plates (Fisher scientific, #07-200-309) and were pre-incubated for 2 hours at room temperature in the presence of 1254 &#956;g/ml BSA and purified HDAC1 (BPS Bioscience, San Diego, Calif., #50051), HDAC2 (BPS Bioscience, #50053), or HDAC3/NcoR2 (BPS Bioscience, #50003) at concentrations of 1.25, 1.32, and 0.167 vg/mL, respectively. Following pre-incubation, Fluor-de-Lys&#153; substrate (Enzo Life Sciences, Plymouth Meeting, Pa., BML-KI104-0050) was added to a final concentration of 10 &#956;M and plates were further incubated for 30 minutes at room temperature. The enzymatic reaction was stopped by addition of Trichostatin A (Sigma-Aldrich, St Louis, Mo., #T8552, final concentration: 100 nM) and trypsin (MP Biomedicals, Solon, Ohio, #02101179) was added to reach a final concentration of 100 &#956;g/mL. After a 15 minute incubation at room temperature, fluorescence was recorded using a Spectramax M2 fluorometer (Molecular Devices, Sunnyvale, Calif.) with excitation at 365 nm and emission at 460 nm. 
2694	1	Enzyme Assay	The enzyme reaction substrate Poly(Glu, Tyr)4:1 was diluted with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH 7.2-7.4) to 20 &#956;g/ml and microwell plate was coated with 125 ml/well mixture. The reaction was carried out at 37° C. for 12-16 h. Then the liquid was discarded and the microwell plate was washed with 200 ml/well T-PBS (PBS containing 0.1% Tween-20) three times, 5 minutes each. The microwell plate was dried for 1-2 hours at 37° C. oven. Each well was added with reaction buffer (50 mM HEPES, pH 7.4, 50 mM MgCl2, 5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT) diluted ATP solution (50 mL) whose final concentration is 5 &#956;M. Drug was diluted with 1% DMSO to a suitable concentration. 10 &#956;l/well of drug was added and then 40 &#956;l reaction buffer diluted VEGFR-2 tyrosine kinase protein was added. The microwell plate was placed into a shaker (100 rpm) and the reaction was carried out at 37° C. for 1 h. The microwell plate was washed with T-PBS three times. Three enzyme-free control wells and corresponding concentration of DMSO control wells were required for each experiment. 100 ml of primary antibody PY99 (p-Tyr (PY99), Cell Signaling Technology, diluted with T-PBS containing 5 mg/ml BSA, 1:1000 dilution) was added to each well and the plate was placed into a shaker to react for 0.5 h at 37° C. The plate was washed with T-PBS three times. 100 ml of secondary antibody horseradish peroxidase-labeled goat anti-mouse IgG (diluted with T-PBS containing 5 mg/ml BSA, 1:2000 dilution) was added to each well and the plate was placed into a shaker to react for 0.5 h at 37° C. The plate was washed with T-PBS three times. 100 ml of 2 mg/ml of OPD developing solution (diluted with 0.1 M citric acid-sodium citrate buffer containing 0.03% of H2O2 (pH=5.4)) was added to each well and the reaction was carried out at 25° C. in the dark for 1-10 minutes. OPD was dissolved under ultrasound and developing solution was freshly prepared. 50 ml of 2 M H2SO4 was added to each well to quench the reaction and OD value was measured by wavelength tunable microplate reader SPECTRA MAX 190. Wavelength was 490 nm.
2697	1	In Vitro Assay	Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM.Antagonists are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates using DMSO followed by a transfer of the dilutions into in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES. On the day of the assay, 50 &#956;l of staining buffer (HBSS containing 1% FCS, 20 mM HEPES, NaHCO3: 0.375 g/l, 5 mM probenecid (Sigma) and 3 &#956;M of the fluorescent calcium indicator fluo-4 AM (1 mM stock solution in DMSO, containing 10% pluronic) is added to each well. The 384-well cell-plates are incubated for 50 min at 37° C. in 5% CO2 followed by equilibration at RT for 30 min before measurement.
2700	1	AXL Kinase Assay	The ability of compounds to inhibit the kinase activity of recombinant human baculovirus-expressed AXL was measured by homogeneous TRF (HTRF) using Cisbio&#39;s KinEASE assay system in white 384-well Optiplates. Assay buffer contained 1 mM DTT, 2 mM MnCl2, 2% DMSO, 50 nM supplement enzymatic buffer, and 1× enzymatic buffer. A 2× concentration of tyrosine kinase (TK) substrate-biotin/ATP mixture made in assay buffer was added to plates at 10 &#956;L/well using the Multidrop Combi (Thermo Fisher Scientific, Waltham, Mass.). The final concentrations were 0.3 &#956;M TK substrate-biotin, and 1.3 &#956;M ATP. Compounds (100 nL), diluted in 100% DMSO on the Biomek FX, (Beckman Coulter, Inc., Brea, Calif.), were transferred to the assay plates using the Biomek FX pintool (2.5% final DMSO in assay). A 2× concentration (final=12 ng/mL) of GST-AXL (diluted in assay buffer) was added to plates at 10 uL/well using the Multidrop Combi. Plates were sealed, briefly shaken and incubated at 25° C. for 30 minutes. A 4× stock of Streptavidin-XL665 (final=18.8 nM) and a 1:100 diluted stock of TK antibody-cryptate were made in HTRF detection buffer and mixed together just prior to adding 20 &#956;L/well on the Multidrop Combi. Plates were sealed, briefly shaken and incubated at 25° C. for 1 hour. The fluorescence of the resulting solution was measured using the PerkinElmer EnVision 2102 multi-label plate reader (PerkinElmer, Waltham, Mass.) with an excitation wavelength of 337 nm (laser) and emission wavelengths of 590 and 665 nm. Raw data was expressed as the ratio of 665/590×10,000.
2700	2	C-MET Kinase Assay	The cMET kinase assay was performed in 384-well Fluotrac 200 HiBase microplates using the HTRF KinEASE assay described above for AXL except that the assay volume was reduced to half. Enzyme concentration was 8 ng/mL of recombinant human baculovirus-expressed cMET while the substrate concentrations were 0.1 &#956;M and 0.02 &#956;M for the biotinylated peptide and ATP, respectively. Instead of the Multidrop Combi, the BioRAPTR FRD microfluidic workstation (Beckman Coulter, Brea, Calif.) was utilized for reagent additions.
2701	1	Syk Kinase Assay	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 &#956;M in storage buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% BSA; 0.01% CHAPS; 100 &#956;M Na3VO4; 0.5 mM DTT, 10% glycerol) at &#8722;80° C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the kinase.
2701	2	Aurora B Kinase Assay	Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protein with an N-terminal His tag, affinity-purified and deep-frozen at a concentration of approx. 0.25-0.5 mg/ml in storage buffer (50 mM Tris-HCl pH 8; 25 mM Na-&#946;-glycerophosphat; 0.1 mM EGTA; 150 mM NaCl; 0.03% Brij-35; 1 mM DTT and 10% glycerol) at &#8722;80° C. until use.The activity of the Aurora B kinase protein was determined using the ADP Glo Luminescence Kinase test (Promega; V9103X). In this homogeneous test the amount of ADP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ADP still present and thus correlates with the activity of the protein kinase.
2701	4	GSK Kinase Assay	Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie&#151;Dept. of Biochemistry) in 50 mM Tris (pH7.5); 150 mM NaCl; 0.1 mM EGTA, 270 mM Succrose, 0.1% &#946;-mercaptoethanol, 1 mM benzamidine, 0.2 mM PMSF; sequence see below). The enzyme is diluted to 3.56 &#956;M (168 &#956;g/ml) in enzyme dilution buffer and 6 &#956;l aliquots are stored at &#8722;80° C.The activity of GSK3 kinase protein is measured using the Z&#8242;-LYTETM assay technology from Invitrogen (# PV3324).
2701	3	FLT3 Kinase Assay	FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence see below). The enzyme is diluted to 720 nM (35 &#956;g/ml) in enzyme dilution buffer and 10 &#956;l aliquots are stored at &#8722;80° C.The activity of FLT3 is measured using the Z&#8242;-LYTETM assay technology from Invitrogen (#PV3191)
2702	1	DiscoverX PathHunter Assay	 In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX calls Prolink (PK) ; additionally, Shc1 is fused with a larger fragment, which is called Enzyme Acceptor (EA) . Activation of the TrkA receptor, upon NGF addition, results in the kinase domain being phosphorylated, resulting in subsequent recruitment of Shc1-EA protein. That recruitment results in an active B-galactosidase enzyme that is detected by addition of a chemiluminescent substrate. The human p75NTR protein was also expressed as a co-receptor for NGF.All reagents were purchased from DiscoverX, except for the receptor agonists (NGF, BDNF, NT3) which were purchased from Peprotech. Cells were expanded and frozen into cryovials, and stored in the vapor phase of liquid nitrogen, and thawed immediately before use. Thawed cells were added to a 384-well plate at 7500 cells/well, and allowed to incubate overnight. Compound at various concentrations was added the following morning and allowed to incubate on cells for 1 h. Then, NGF was added at a concentration sufficient to elicit 80% of a maximal response and allowed to incubate for 3 h at ambient temperature. DiscoverX PathHunter detection reagent was then added and the plate was further incubated for 1 h in the dark. The plate was then read via luminescence on the Perkin Elmer Envision.
2703	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
2704	1	Inhibition Assay	The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 mM of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 mM and fluorescence is then measured (excitation: 360 nm, emission: 460 nm).
2706	1	Kinase Enzymatic Assay	Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a baculovirus expression system. GST-RET was purified using glutathione sepharose chromatography. The RET kinase enzymatic assay was performed in a total volume of 10 uL with increasing concentrations of RET kinase inhibitor as a singlet in a 384 well format as follows: RET inhibitor compound plates are prepared by adding 100 nL of RET inhibitor at different concentrations to a 384-well plate. 5 &#956;L/well of a 2× enzyme mix (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid); 1 mM CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate); 0.1 mg/mL BSA (bovine serum albumin); 1 mM DTT (dithiothreitol); 0.2 nM RET kinase) was added to the 384-well plate and incubated for 30 minutes at 23° C. 5 &#956;L/well of a 2× substrate mix (50 mM HEPES; 1 mM CHAPS; 0.1 mg/mL BSA; 20 &#956;M adenosine triphosphate; 20 mM MgCl2 and 1 &#956;M biotinylated peptide substrate) was added and incubated for 1 hour at 23° C. 10 &#956;L/well of 2× stop/detection mix (50 mM HEPES; 0.1% BSA; 800 mM Potassium Fluoride; 50 mM EDTA (Ethylenediaminetetraacetic acid); 200× dilution of Europium Cryptate labeled anti-phosphotyrosine antibody; 62.5 nM Streptavidin-XL665) incubated for 1 hour at 23° C. and read on a Homogenous Time-Resolved Fluorescence reader. IC50s were fitted using GraphPad Prism to a sigmoidal dose response.
2708	1	FRET Assay	The enzyme (truncated form) was diluted to 6 &#956;g/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 &#956;M) in reaction buffer (NaAcetate, chaps, triton x-100, EDTA pH4.5). The robotic systems Biomek FX and Velocity 11 were used for all liquid handling and the enzyme and substrate solutions were kept on ice until they were placed in the robotic system. Enzyme (9 &#956;l) was added to the plate then 1 &#956;l of compound in dimethylsulphoxide was added, mixed and pre-incubated for 10 minutes. Substrate (10 &#956;l) was then added, mixed and the reaction proceeded for 15 minutes at r.t. The reaction was stopped with the addition of Stop solution (7 &#956;l, NaAcetate, pH 9). The fluorescence of the product was measured on a Victor II plate reader with an excitation wavelength of 340 nm and an emission wavelength of 615 nm. The assay was performed in a Costar 384 well round bottom, low volume, non-binding surface plate (Corning #3676). The final concentration of the enzyme was 2.7 &#956;g/ml; the final concentration of substrate was 100 nM (Km of 250 nM). The dimethylsulphoxide control, instead of test compound, defined the 100% activity level and 0% activity was defined by wells lacking enzyme (replaced with reaction buffer). A control inhibitor was also used in dose response assays and had an 1050 of 150 nM.
2709	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
2711	1	Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min., the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to control reactions with no enzyme (for 100% inhibition) and controls with no inhibitor (for 0% inhibition). Dose response curves were generated to determine the concentration required for inhibiting 50% of Btk activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
2712	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays 20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA,) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.
2712	2	Kinase Assay	Pim-2 kinase assay 20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2713	1	FLIPR Assay	For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 pM Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. 
2714	3	Inhibition Assay	A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). 
2714	1	Inhibition Assay	A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
2714	2	Inhibition Assay	A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula. 
2715	1	Competition Binding Assay	The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine or [3H]citalopram binding assays in recombinant human DAT, NET and SERT membranes with the SPA technology. The final assay volume is 50 &#956;L in 384 well plates.Briefly, 0.5 &#956;L of test compound in neat DMSO or 0.5 &#956;L of DMSO for total binding (TB) or 0.5 &#956;L of indatraline 1 mM (10 &#956;M final concentration) for non specific binding (NSB) are added to the assay plate. 50 &#956;L of the SPA mixture is added to each well, containing: 30 &#956;g/mL or 10 &#956;g/mL or 25 &#956;g/mL DAT, NET, SERT membranes, respectively; 5 nM [3H]WIN-35,428 or 5 nM [3H]nisoxetine or 1 nM [3H]citalopram, for DAT, NET, SERT assay, respectively; 2.5 mg/mL or 1 mg/mL or 4 mg/mL WGA-PVT SPA beads (PerkinElmer RPNQ0001, for DAT, NET, SERT assay, respectively. All components are added to Assay Buffer (20 mM HEPES pH 7.4, 145 mM NaCl, 5 mM KCl, 0.01% Pluronic F-127). 0.02% BSA was used for DAT binding only. Plates are sealed with Topseal A and centrifuged 1 min, 800 rpm. Plates are loaded into a 1450 Microbeta TriLux (Perkin-Elmer) plate reader and the radioactivity counted after at least 4 hrs or overnight incubation at room temperature. Curve fitting and IC50 estimations are performed using a four parameter model in XLfit (IDBS, Guilford, UK) for Microdoft Excel (Microsoft, Redmond, Wash.).
2719	1	In Vitro Inhibitory Activity Assay	For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dimethyl sulfoxide (DMSO). Next, the HER2 protein, the substrate peptide (final concentration: 0.5 uM), manganese chloride (final concentration: 10 mM), ATP (final concentration: 6 uM), and the solution of the compound of the present invention in DMSO (final concentration of DMSO: 5%) were added into a buffer solution for kinase reaction (15 mM Tris (pH 7.5), 2 mM dithiothreitol, and 0.01% Tween 20), and the mixture was incubated at 25° C. for 40 minutes for kinase reaction. The reaction was terminated by adding EDTA (final concentration: 30 mM) thereto. Finally, the unphosphorylated substrate peptide (S) and the phosphorylated peptide (P) were separated and detected by microcapillary electrophoresis using LabChip EZ Reader II (PerkinElmer Inc.).
2721	1	Stimulation of sGC Enzyme Activity	Soluble guanylate cyclase (sGC) converts on stimulation GTP into cGMP and pyrophosphate (PPi). PPi is detected with the aid of the assay described below. The signal produced in the assay increases as the reaction progresses and serves as a measure of the sGC enzyme activity under the given stimulation.To carry out the assay, 29 &#956;l of enzyme solution [0-10 nM soluble guanylate cyclase (prepared according to Honicka et al., J. Mol. Med. 77, 14-23 (1999)) in 50 mM TEA, 2 mM MgCl2, 0.1% BSA (fraction V), 0.005% Brij , pH 7.5] are initially introduced into a microplate, and 1 &#956;l of the substance to be tested (as a serially diluted solution in DMSO) is added. The mixture is incubated at room temperature for 10 min. Then 20 &#956;l of detection mix [1.2 nM Firefly Luciferase (Photinus pyralis luciferase, Promega), 29 &#956;M dehydroluciferin (prepared according to Bitler & McElroy, Arch. Biochem. Biophys. 72, 358 (1957)), 122 &#956;M luciferin (Promega), 153 &#956;M ATP (Sigma) and 0.4 mM DTT (Sigma) in 50 mM TEA, 2 mM MgCl2, 0.1% BSA (fraction V), 0.005% Brij , pH 7.5] are added. The enzyme reaction is started by adding 20 &#956;l of substrate solution [1.25 mM guanosine 5&#8242;-triphosphate (Sigma) in 50 mM TEA, 2 mM MgCl2, 0.1% BSA (fraction V), 0.005% Brij, pH 7.5] and measured continuously in a luminometer. The extent of the stimulation by the substance to be tested can be determined relative to the signal of the unstimulated reaction.The activation of haem-free guanylate cyclase is examined by addition of 25 &#956;M of 1H-1,2,4-oxadiazolo[4,3-a]quinoxalin-1-one (ODQ) to the enzyme solution and subsequent incubation for 30 minutes and compared to the stimulation of the native enzyme.
2722	1	Binding of Compound 102 to Dopamine D2 Receptors (Cell-Based Assay)	The ability of Compound 102 to bind dopamine D2 receptors was measured in a cell-based assay. Dopamine D2 receptor cells were seeded in a half a black, clear-bottomed 96 well plate. At a density of 15,000 cells/well to a volume of 25 &#956;L and were left to incubate overnight. Calcium 5 dye in HEPES buffered HBSS (Hanks&#39; balanced salt solution) was prepared and 10 &#956;L was added to each well and the mixture was left to sit at 37° C. for 1 hour. After equilibration, 5 &#956;L of the test compound and controls were added to the wells and incubated at room temperature for 10 minutes. Fluorescence was measured every 1.52 seconds. After 20 seconds 10 &#956;L of dopamine (at EC80 concentration) was added and the fluorescence monitored for 2 minutes with excitation at 452 nm and emission at 525 nm.
2722	2	Binding of Compound 102 to Dopamine D2 Receptors (Membrane Preparation)	The ability of Compound 102 to bind the dopamine D2 receptor in a membrane preparation was examined. Medium was removed from dopamine D2 receptor cells and washed with PBS. A lysis buffer (250 mM sucrose, 1 nM EDTA, 10 mM Tris HCl buffered at pH 7.2 plus protease inhibitors) was added and cells scrapped using a plate scrapper. Cells were homogenized with 20 manual up and down strokes in a glass homogenizer. Intact cells, nuclei, and cell debris were removed by centrifugation of the homogenate at 500×g for 10 minutes at 4° C., the supernatant was removed, and the pellet resuspended in assay buffer.Membrane preparations were incubated with 3H spiperone until equilibration. Separation of bound from free radioligand was carried out using a Packard Filtermate Harvester and glass filter plates. Radioactivity was measured using a Packard Topcount. To 20 &#956;L of D2 membranes were mixed 20 &#956;L of 3H spiperone and 10 &#956;L test compound or reference ligand in binding buffer in a nonbinding 96 well plate, and incubated for <120 minutes. Prior to filtration, a 96 well harvest filter plate was coated with 0.33% polyethyleneimine for 30 minutes and then washed with assay buffer. The binding reaction was transferred to the filter plate and washed three times with wash buffer, dried, scintillant added, and radioactivity counted on a Topcount NXT.
2724	1	Biological Assay for TBK1 and IKKepsilon	Enzymatic activity of IKK&#949; and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors enzyme dependent phosphorylation of a biotinylated serine/threonine peptide substrate. An increase in the amount of phopshorylated peptide results in an increase in TR-FRET signal. TBK1 and IKK&#949; were expressed and purified as full length recombinant proteins. Detection reagents for the assay were purchased from Cisbio. TBK1 and IKK&#949; enzymes were assayed under initial rate conditions in the presence of 2×Km ATP (40-80 &#956;M) and 1 &#956;M peptide, hepes (pH 7), 0.1 mM orthovanadate, 0.02% NaN3, 0.01% BSA, 10 mM MgCl2, 0.01% (v/v) tritonX, 1 mM dithiothreitol, 0.5% (v/v) DMSO at the following concentrations for each enzyme: TBK1 at 2.5 mM and IKK&#949; at 0.3 nM. After an assay reaction time of 240 minutes at 25° C., reactions were terminated with EDTA.Amount of phosphorylated peptide was determined by the addition of 125 nM streptavidin XL665 and europium cryptate labeled anti-phospho monoclonal antibody and the resulting TR-FRET signal was recorded on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data was normalized based on a positive (1 &#956;M Staurosporine) and negative (DMSO) controls and IC50 values calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. These assays generally produced results within 3-fold of the reported mean.
2727	1	Enzyme Activity Inhibition IC50 Evaluation 	Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-well plate with a final DMSO concentration of 2%.1. ALK enzyme (purchased from Carna Biosciences, Inc.) was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, 2 mM DTT, which was transferred to a 384-well plate and incubated with the compound for a certain time.2. The substrate was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, mM MgCl2, adenosine triphosphate under Km, which was added to the 384-well plate to initiate the reaction and reacted at 28° C. for 1 hour.3. The conversion rate was read by Caliper Reader, the calculated inhibition rate is the average of the two tests.
2728	1	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.).The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%.Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. Compounds with an IC50 of less than 10 &#956;M in in the assay of Example A3 are considered to be active. IC50 data for Examples 1-25 is presented in Table 3 for PI3K&#948; as determined by the assay of Example A2 or A3 as indicate
2729	1	Inhibition Assay	Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig striatal membranes were treated with adenosine deaminase (2 U/mL) and 50 mM Tris buffer (pH=7.4) followed by mixing. To the pig membranes was added 2 &#956;L of serially diluted DMSO stock solution of the compounds of this invention at concentrations ranging from 10 nM to 100 microM or the control received 2 microL of DMSO alone, then the antagonist ZM 241385 in Tris buffer (50 mM, pH of 7.4) was added to achieve a final concentration of 2 nM. After incubation at 23° C. for 2 h, then the solutions were filtered using a membrane harvester using multiple washing of the membranes (3×). The filter disks were counted in scintillation cocktail to determine the amount of displacement of tritiated ZM displaced by the compounds of this invention.
2730	1	Pim Enzyme Assays	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 &#956;M (Pim-1, Invitrogen PV3503) or 1.25 &#956;M (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was pre-incubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2731	1	Measuring Agonistic Activity of Compounds in hFPR1-G&#945;15-CHO and hFPR2-Aq-CHO Cell	Cryo-vial containing 6×106 cells (hFPR1-G&#945;15-CHO or hFPR2-Aq-CHO) was thawed in a 37° C. water bath. Cells were suspended in 10 ml of respective complete growth media (F12(1×) HAM media (Gibco; Cat#11765); 10% HI-FBS (Gibco; Cat#10082); 0.1 mg/ml Hygromycin B (Invitrogen; Cat#10687-010) [for hFPR1 only]; 0.2 mg/ml Zeocin (Invitrogen; Cat#R25001) [for hFPR1 only]; 0.4 mg/ml Geneticin (Gibco; Cat#10131) [for hFPR2-Aq only]; 0.25 mg/ml Zeocin (Invitrogen; Cat#R25001) [for hFPR2-Aq only]) in a 15 ml centrifuge tube. The cell viability was checked with the help of Trypan Blue dye. Upon washing the cells, those were plated in a 384-well sterile clear bottom black plate (Greiner Bioone Cat#781091) so that, each well contained 10,000 cells in 40 &#956;l complete growth media. The plate was incubated in a 5% CO2 incubator at 37° C. for 18 hours.Before assay on the next day, the cell plating media was removed from each well of the plate by decanting and gentle tapping. 30 &#956;l, 0.11 of 0.5× Calcium 5 dye solution (0.5×FLIPR Calcium 5 dye (Molecular devices Cat# R8186); HBSS (Invitrogen; Cat#14025); 20 mM HEPES (Sigma; Cat#H0887); 2.5 mM Probenecid (Sigma; Cat#P8761); 0.025% Pluronic F-127 (Sigma; Cat#P2443); pH adjusted to 7.4) was added to each well. The plate was then incubated at 37° C. for 30 minutes. Following which the plate was equilibrated at room temperature for 10 minutes before placing it in a 384 well FLIPR for assay. Compounds were dissolved in DMSO and serially diluted following 11 point half log (3.16 fold) dilution with a starting concentration of 2 mM (Final assay concentration 10 &#956;M). Aliquots of above mentioned each dilution was mixed with assay buffer (HBSS (Invitrogen; Cat#14025); 20 mM HEPES (Sigma; Cat#H0887); 2.5 mM Probenecid (Sigma; Cat#P8761); 0.05% gelatin (Sigma; Cat#G1890); 0.1% BSA (Sigma; Cat#A3059); pH adjusted to 7.4) just before performing the assay. Compounds were added to the respective wells of the assay ready cell plate with the help of the FLIPR (FLIPR Tetra) and fluorescence readings were captured for 5 minutes to measure any agonistic response of the compounds. The increase in fluorescence readings from the basal reading in presence of the compounds were compared with that of the control wells (wells having no compound) to calculate the agonistic activity of the compounds. The EC50 values of the compounds were determined using the Graph pad Prism software.
2732	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
2733	1	URAT1-Model Assay	HEK293 human embryonic kidney cells (ATCC# CRL-1573) were propagated in EMEM tissue culture medium as described by ATCC in an atmosphere of 5% CO2 and 95% air. Transfections of HEK293 cells with a model URAT1 construct was performed using L2000 transfection reagent (Invitrogen) as described by the manufacturer. After 24 h the transfected cells were split into 10 cm tissue culture plates and grown for 1 day after which the medium was replaced with fresh growth medium containing G418 (Gibco) at 0.5 mg/ml final concentration. Drug-resistant colonies were selected after approximately 8 days and then tested for 14C-uric acid transport activity. The HEK293/URAT1-model cells are plated on Poly-D-Lysine Coated 96-well Plates at a density of 125,000 cells per well.Cells were grown overnight (20-26 hours) at 37° C. in an incubator. Plates were allowed to come to room temperature and media was washed out with one wash of 250 &#956;l of Wash Buffer (125 mM Na Gluconate, 10 mM Hepes ph 7.3). Compound or vehicle is added in assay buffer with 14C-uric acid for a final concentration of 12504 Uric Acid with a specific activity of 54 mCi/mmol. Assay Buffer is 125 mM Sodium Gluconate, 4.8 mM Potassium Gluconate, 1.2 mM Potassium phosphate, monobasic, 1.2 mM magnesium sulfate, 1.3 mM Ca Gluconate, 5.6 mM Glucose, 25 mM HEPES, pH 7.3. Plates were incubated at room temperature for 10 minutes then washed 3 times with 50 &#956;l Wash Buffer and 3 times with 250 &#956;l Wash Buffer. Microscint 20 Scintillation Fluid was added and plates were incubated overnight at room temperature to equilibrate. Plates are then read on the TopCount Plate Reader and an EC50 value generated. (See Enomoto et al, Nature, 2002, 417, 447-451 and Anzai et al, J. Biol. Chem., 2004, 279, 45942-45950.)
2734	1	IDH1-R132H and IDH1-R132C Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 &#956;M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with the four parameter logistic equation.
2735	1	XO (Xanthine Oxidase) Inhibition Activity Assay	The compound was diluted 2.5 fold with a buffer of 50 mM KH2PO4 to give a series of concentrations from 2000 nM to 0.524 nM. Then the diluted solution was added to a 384 well plate at 30 &#956;L/well, and then to each well was added 30 &#956;L of 21 mU/mL xanthine oxidase. The resulting solution was centrifuged at 3000 rpm for 1 min, shook and incubated at room temperature for 10 min, then to each well was added 30 &#956;L of 600 &#956;M substrate (xanthine); at the same time, the well was treated with the buffer (no compound, added the same concentration of enzyme and substrate) and a negative control well (no compound and enzyme, added the same concentration of substrate) were set up. After being incubated at room temperature for 5 min, absorbance at 290 nm was read by using PHERAstar FS microplate reader. The inhibition rate of the compound against xanthine oxidase (XO) was calculated by the following formula, and IC50 values were calculated by using GraphPad Prism 5.
2735	2	URAT1 (Urate Anion Transporter) Inhibition Activity Assay	a. Construction of a Cell Line Stably Expressing hURAT1hURAT1 plasmid was transfected into HEK293T cell, and a cell line stably expressing hURAT1 was obtained by using G418 (Geneticin) for screening.b. Uric Acid Absorption InhibitionThe cell line stably expressing hURAT1 obtained through the above steps was seeded into a 96 well plate. After being incubated for at least 12 h, the medium was removed, and then cells were washed with (Cl&#8722;)-free HBSS buffer. The compound was diluted 4-fold with a buffer to give a series of concentrations of compound solutions from 200 &#956;M to 0.8 nM. 5 &#956;L of resulting compound solution and 45 &#956;L of butter containing [8-14C] uric acid were mixed uniformly, and then the resulting mixed solution was added to the 96 well plate containing the cell line stably expressing hURAT1 (i.e. the final concentration of compound is range from 20 &#956;M to 0.08 nM). At the same time, a buffer well (the cell line stably expressing hURAT1, without drug) and a negative well (HEK293T cell, without drug) were set up. After incubated at 37° C. for 5 min, the buffer was removed, and the cells were washed with buffer. 50 &#956;L of lysis buffer (100 mM NaOH) was added to each well to lyse cells, and the well was shook at 600 rpm for 10 min, centrifuged at 1000 rpm for 5 min, and then 45 &#956;L of supernatant was pipetted to an Isoplate-96 microplate. To each well was added 150 &#956;L of Ultima Gold XR, and the microplate was shook at 600 rpm for 10 min. MicroBeta Trilux scintillation/luminescent counter (PerkinElmer) was used to count, remaining amount of [8-14C] uric acid was read. Absorption inhibition ratio of the compound against [8-14C] uric acid was calculated by the following formula, and IC50 values were then calculated by software XLfit.
2737	1	Human BTK LanthaScreen Assay	TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 &#956;M ATP, 100 nM FAM-Srctide peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2, SEQ ID NO: 1, Molecular Devices, RP7595) and 70 &#956;M of human full-length BTK Kinase (expressed in Sf9 insect cells and purified in-house). The assays were performed with and without pre-incubating the inhibitors with the enzyme for 60 minutes before starting the kinase reaction by adding ATP and the peptide substrate. Samples containing enzyme but no inhibitor were included to determine the maximal extent of reaction. Samples containing no enzyme served as the negative control. The kinase reaction mixtures were incubated at room temperature for 60 minutes before stopping the kinase activity by the addition of 15 mM EDTA. The extent of peptide phosphorylation by BTK was detected using a Terbium-conjugated anti-phospho-Tyrosine antibody (Tb-PT66 antibody, invitrogen # PV3557). Phosphorylation of peptide substrate was measured by determining the ratio of 520/495 nm on an Envision Multi-label Reader (Perkin Elmer) and IC50 values were calculated by fitting the data to a four-parameter equation using XLFit4 (IDBS).
2737	2	Human EGFR LanthaScreen Selectivity Assay	TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 &#956;M ATP, 100 nM peptide substrate (FITC-C6-KKAEEEEYFELVAKK-NH2 (SEQ ID NO.: 2, American Peptide, #333778) and 600 &#956;M of human EGFR kinase domain (Invitrogen). The assays were performed with and without pre-incubating the inhibitors with the enzyme for 60 minutes before starting the kinase reaction by adding ATP and the peptide substrate. Samples containing enzyme but no inhibitor were included to determine the maximal extent of reaction. Samples containing no enzyme served as the negative control. The kinase reaction mixtures were incubated at room temperature for 60 minutes before stopping the kinase activity by the addition of 15 mM EDTA. The extent of peptide phosphorylation by EGFR was detected using a Terbium-conjugated anti-phospho-Tyrosine antibody (Tb-PT66 antibody, invitrogen # PV3557). Phosphorylation of peptide substrate was measured by determining the ratio of 520/495 nm on an Envision Multi-label Reader (Perkin Elmer) and IC50 values were calculated by fitting the data to a four-parameter equation using XLFIt4 (IDBS).
2740	1	In Vitro Enzyme Inhibition	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock .Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4×hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 600 &#956;L, of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
2740	2	In Vitro Cellular Assay	Human plasma is thawed on ice and centrifuged for 15 min at 4° C. to remove platelets. A 1 mM stock solution of ellagic acid is diluted to 8 &#956;M and mixed with human plasma, after removing platelets, at a ratio of 1:0.8. The mixture of human plasma and ellagic acid was further diluted 32-fold in the assay buffer, to yield the final mixture for use in the inhibition assay.A 22.5 &#956;L volume of the final mixture of human plasma and ellagic acid was added to a 96-well microwell plate and the plate was incubated for 15 min at 37° C.The CINH inhibitor at various concentrations, prepared by serial dilutions as described above, were added to the inhibitor control wells. The volume of CINH inhibitor added to each inhibitor control well was 12.5 &#956;L, to yield final concentrations of 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, 0.076 nM, and 0.019 nM. Each CINH concentration is tested in duplicates.The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test compound added to each test well was 12.5 &#956;L, to yield final concentrations of 20 &#956;M, 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, and 0.076 nM. Each test compound concentration was tested in duplicates.In addition to the inhibitor control and test wells, the 96 well assay plate includes positive control wells which contained the mixture of human plasma and ellagic acid without C1NH inhibitor or test compounds, and background wells which contained neither the mixture of human plasma and ellagic acid nor the test compounds. The total volume of liquid in positive control and background wells was brought up to 35 &#956;L, using the assay buffer.The assay plate containing C1NH inhibitors and test compounds mixed with human plasma and ellagic acid and appropriate controls was incubated at 37° C. for 5 mM. A 10 mM stock solution of substrate Z-FR-2-AMC was diluted to 133.2 &#956;M in the assay buffer, and 15 &#956;L of the diluted substrate was added to each well, to yield a final substrate concentration of 40 &#956;M in each well. The reagents were mixed well by shaking the plate gently for 30 sec.The enzyme reaction was quantified by immediate kinetic reading of the assay plate using excitation/emission wavelengths of 330 nm/440 nm respectively. Fluorescence intensity was recorded for 60 mM, using a time interval of 43 sec.The inhibition activity of the test compounds were evaluated using the IC50 values, calculated according to the dose-response curve of the test compounds, fitted using the log(inhibitor)-response(variable slope) equation in GraphPadPrism software (GraphPad Software, Inc.).
2741	1	SMYD3 Biochemical Assay	The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a 384-well white opaque OptiPlate using a Bravo automated liquid handling platform outfitted with a 384-channel head (Agilent Technologies). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD3, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD3 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD3 for 30 min at room temperature, then a cocktail (10 ul) containing SAM and MEKK2 was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD3 was 0.4 nM, 3H-SAM was 8 nM, MEKK2 was 12 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 100 uM, which dilutes the 3H-SAM to a level where its incorporation into MEKK2 is no longer detectable. Radiolabeled MEKK2 was detected using a scintillation proximity assay (SPA). 10 uL of a 10 mg/mL solution of SPA beads in 0.5 M citric acid was added and the plates centrifuged at 600 rpm for 1 min to precipitate the radiolabeled MEKK2 onto the SPA beads. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled MEKK2 as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
2741	2	SMYD2 Biochemical Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% Bovine Skin Gelatin, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD2, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD2 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD2 for 30 min at room temperature, then a cocktail (10 ul) containing 3H-SAM and peptide was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD2 was 1.5 nM, 3H-SAM was 10 nM, and peptide was 60 nM, SAH in the minimum signal control wells was 1000 uM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
2743	1	Microfluidic Off-Chip Mobility Shift Assay Protocol for Potency Assessment Against BTK Enzyme	Briefly, 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2; developed in-house) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM HEPES, pH 7.5, and 10 mM DTT. 5 uL of enzyme buffer and 7.5 uL of ATP/kinKDR peptide substrate mix were added to Matrix (#115304) 384-well, sterile, polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 27° C. Following the incubation period, reactions were stopped by adding 60 uL stop buffer consisting of 100 mM HEPES, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (Caliper Life Sciences, Mountain View, Calif.), 5% DMSO. Stopped reactions were monitored at &#8722;2 PSI, &#8722;3000 V/&#8722;700 V in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, Mass.), and the activity was measured by off-chip mobility shift assay measuring the charge/mass difference between substrate and product resulting from peptide phosphorilation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel, Switzerland).
2749	1	Detection of In Vitro Inhibition Activity (Enzymatic Activity)	In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, Compound 25, Compound 26, Compound 27, Compound 5, Compound 6, Compound 7, Compound 8, Compound 9, Compound 10, Compound 11, Compound 12, Compound 2, Compound 3, Compound 4, Compound 76, Compound 77, Compound 78, Compound 48, Compound 47, Compound 45, Compound 44, Compound 43 and AC220 on protein kinase FLT3, FLT3/ITD and BTK were determined. The intracellular segment regions of protein kinase FLT3, FLT3/ITD and BTK were cloned into the insect expression vector pAcG2T, and the proteins were expressed by using an insect expression system, BaculoGold Baculovirus Expression System (BD Pharmingen), with GST tag. The established vectors were transfected into SF9 packaging viruses, so as to infect the SF9-expressed proteins with the viruses.9 &#956;L (6 ng/&#956;L) of purified FLT3 and BTK protein kinase were reacted with 1 &#956;L of three-fold gradient dilution of the above compounds (final concentrations of the agents were 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M, 0.1 &#956;M, 0.03 &#956;M, 0.01 &#956;M, 0.003 &#956;M), respectively, at room temperature for 4 hours;2 &#956;L of ATP and 3 &#956;L of substrate, Poly(4:1 Glu, Tyr)Peptide (Promega, US), were added (final concentrations are 10 &#956;M and 0.2 &#956;g/&#956;L, respectively), and reacted at 37° C. for 1 hour;5 &#956;L of reacted kinase solution was added into 5 &#956;L of ADP-Glo (Promega, US) and reacted at room temperature for 40 min, the kinase reaction was stopped and the remained ATP was consumed;10 &#956;L of kinase detection reagent was added to transfer ADP into ATP, and the newly obtained ATP was detected by using coupled luciferase/fluorescein reaction, then the IC50 values were calculated by using a plotting method based on the Envision reading (Table 3).The experimental results were shown in FIG. 2: the exemplary compounds of the present invention have a strong inhibitory effect on FLT3, FLT3/ITD and BTK protein kinase, and these results demonstrate that the Compound of the present invention is an inhibitor of FLT3 kinase and also inhibits FLT3/ITD and BTK kinase.
2751	1	Kinase Inhibition Assays	The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isotope labeling (labeled gamma phosphate groups on ATP). Kinase inhibition profiles were determined using KinaseProfiler services provided by Euro fins, and ATP concentrations used are the Km of corresponding kinases. In this study, we examined Abl (T315I) (h), ALK (h), ARK5 (h), Axl (h), Blk (h), Bmx (h), BTK (h), B-Raf (H), ckit (h), cSRC (h), CDK7, CHK1 (h), c-RAF (h), DDR2 (h), EGFR (h), EphA1 (h), EphA2 (h), EphA8 (h (H), FGF (h), Ft (h), Ft (h), F (h), F (h), Ft (h), Hb (h), ErbB2 (h), FAK (h) (H), JK3 (h), IKKalpha (h), IKKbeta (h), Itk (h), JAK3 (h), JNK11 (h), KDR (h), Lyn (h), MAPK1 (h), MEK1 (h (H), PKA (h), PKB [alpha](h), PKB [beta] (h), PKC [alpha] (h), Ret (H), RIPK2 (h), Src (1-530) (h), TAK1 (h), TBK1 (h), Tec (h) activated, Tie2 (h), TrkA (h), ULK3 (h) Yes (h), PI3 Kinase a (h) and other kinase in vitro inhibitory activity. The kinase inhibitory activity of the test compound is expressed as IC50 (half inhibitory concentration) or the inhibitory rate of the test compound at a concentration of 10 ??M for kinase activity. IC50 values can be obtained by calculating the inhibition rate of the kinase activity by the test compound at a series of different concentrations. The assay was as follows: In a reaction tube, the buffer (8 mM MOPS, pH 7.0, 0.2 mM EDTA, 10 mM MnCl2), the kinase to be tested (5-10 mU), the substrate to be tested kinase, 10 mM acetic acid Magnesium and gamma 33P-ATP solutions, as well as different concentrations of the test compound. MgATP was then added to the reaction to initiate the enzymatic reaction and incubated at room temperature for 40 minutes. The reaction was finally quenched with 5 ul of 3% phosphate buffer and 10 uL of the reaction solution was titrated onto a filtermat A membrane, washed three times with 75 mM phosphate solution for 5 minutes each, and washed again with methanol. Finally, the filtermat A film is dried and scintigraphized, and the size of the scintillation count reflects the degree to which the substrate is phosphorylated, thereby demonstrating that the kinase activity is inhibited. Among them, the percentage of the remaining active protein=the active protein of the experimental group the active protein of the control group 100%.
2754	1	EZH2 enzymatic activity	Ten-point dose-response curves for a subset of compounds shown in Table 1 were determined using a Transcreener EPIGEN Methyltransferase HTS assay using purified EZH2 enzyme (BellBrook Labs). In this assay, the S-adenosylhomocysteine (SAH) generated by the transfer of the methyl group from S-adenosyl methionine (SAM) to purified histone 3.3 protein by EZH2 is enzymatically converted to AMP, which is detected using a fluorescence polarization readout.Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 &#956;M. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. A panel of dilutions of SAH/SAM also was prepared as a standard curve to ensure the linearity of the assay.An aliquot of each serial dilution of test compound was added to deep 384 well plate containing 5 mg/ml purified EZH2 enzyme (Reaction Biology) in a 15 microliter reaction volume. The plate was pre-incubated at room temperature for 15 min to which 4 &#956;M SAM and 6 mg/ml of full length histone 3.3 protein were added to initiate the enzymatic reaction. The reaction mixture was incubated at 30° C. for three hours during which the SAH produced from the methylation reaction is enzymatically converted to AMP. The reaction was stopped by quenching and a detector buffer containing the coupling enzymes, fluorescent indicator and AMP antibody was added to each well. After 1 hr, the resulting fluorescent output of the assay was read on Tecan Safire2 instrument according to the manufacturer&#39;s instructions.
2755	1	Bub1 Kinase Assay	Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRET) kinase assay which measures phosphorylation of the synthetic peptide Blotin-AhxVLLPKKSFAEPG (C-terminus in amide form), purchased from e.g. Biosyntan (Berlin, Germany) by the (recombinant) catalytic domain of human Bub1 (amino acids 704-1085), expressed in HI5 insect cells with an N-terminal HIs6-tag and purified by affinity-(Ni-NTA) and size exclusion chromatography.In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nl of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;l of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 &#956;g/ml were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 229 to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;l 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;l final volume) was incubated at 22° C. during 60 min., and the reaction was stopped by the addition of 5 &#956;l of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-001] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, alternatively a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]). The stopped reaction mixture was further incubated 1 h at 22° C. in order to allow the formation of complexes between peptides and detection reagents. Subsequently, the amount of product was evaluated by measurement of the resonance energy transfer from the Eu-chelate-antlbody complex recognizing the Phosphoserlne residue to the streptavidin-XL665 bound to the biotin moiety of the peptide. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 330-350 nm were measured in a TR-FRET plate reader, e.g. a Rubystar or Pherastar (both from BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer) and the ratio of the emissions (665 nm/622 nm) was taken as indicator for the amount of phosphorylated substrate. The data were normalised using two sets of (typically 32-) control wells for high-(=enzyme reaction without Inhibitor=0%=Minimum inhibition) and low-(=all assay components without enzyme=100%=Maximum inhibition) Bub1 activity. IC50 values were calculated by fitting the normalized inhibition data to a 4-parameter logistic equation (Minimum, Maximum, IC50, Hill; Y=Max+(Min&#8722;Max)/(1+(X/IC50)Hill)) using a Bayer-proprietary analysis software.
2757	1	ULK1 inhibition assay	Gamma-32P assays to measure ULK1 kinase activity were performed as previously described. Briefly, Flag ULK1 was transfected into HEK293T cells and 20 hours later treated as indicated. The immmunoprecipitate was washed in IP buffer 3 times, and washed in kinase buffer (25 mM MOPS, pH 7.5, 1 mM EGTA, 0.1 mM Na3VO4, 15 mM MgCl2,). Hot and cold ATP were added at a 100 &#956;M final concentration. As substrates, GST or the recombinant protein GST-Atg101 purified from E. coli were used at 1 &#956;g for each reaction. Reactions were boiled, run out on SDS page gel. The gel was dried, and imaged using PhosphoImager software. For cold assays to asses ULK1, Flag ULK1 which was transiently overexpressed and immunoprecipited from HEK293T cells. Reactions were then run out on SDS page gel, transferred to PVDF membrane and blotted for total levelsFluorescence MicroscopyVps34flox/flox MEFs were reconstituted with Flag-VPS34 and either p40FX or GFP-DFCP1. 48 hours post infection with adenovirus expressing Cre recombinase (MOI of 100), cells were plated on glass coverslips at a density of 3×105 cells per well in 6-well tissue culture plates. 18 h later, cells were fixed in 4% PFA in PBS for 10 minutes and permeabilized in 0.2% Triton in PBS for 10 minutes. The following primary antibodies were used: mouse anti-Myc epitope and LC3B XP antibody (2276 and 3868 respectively, Cell Signaling Technologies). Secondary antibodies were anti-rabbit Alexa488 and anti-mouse Alexa594 (Molecular Probes, 1:1000. Cells were then fixed and counter stained with DAPI. Coverslips were mounted in FluoromountG (SouthernBiothech). Images were acquired on a Zeiss Axioplan2 epifluorescence microscope coupled to the Openlab software. Confocal images of mitotracker were taken on Zeiss LSM 710 laser scanning confocal microscope. 10 random fields per condition were acquired using the 100× objective and representative images shown. Glass coverslips were mounted directly on plate with FluoromountG and images taken on Zeiss Axioplan2 epifluorescence microscope.
2759	1	E. coli Topoisomerase I Relaxation Activity Inhibition Assay	The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 mM MgCl2. Half microliter from the appropriate stock solutions of compounds dissolved in the solvent (DMSO) or the solvent alone (control) was mixed with 9.5 &#956;L of the reaction buffer containing 10 ng of enzyme before the addition of 10 &#956;L of reaction buffer containing 200 ng of supercoiled pBAD/Thio plasmid DNA purified by cesium chloride gradient as substrate. Following incubation at 37° C. for 30 min, the reactions were terminated by the addition of 4 &#956;L of a stop buffer (50% glycerol, 50 mM EDTA, and 0.5% (v/v) bromophenol blue), and analyzed by agarose gel electrophoresis. The gels were stained in ethidium bromide and photographed under UV light.
2759	2	DNA Gyrase Supercoiling Inhibition Assay	DNA gyrase supercoiling assays were carried out by mixing the compounds and the enzyme in a similar manner as above (EcTopI relaxation inhibition assay) but in a gyrase assay buffer (35 mM Tris-HCl, 24 mM KCl, 4 mM MgCl2, 2 mM DTT, 1.75 mM ATP, 5 mM spermidine, 0.1 mg/mL BSA, 6.5% glycerol at pH 7.5), followed by the addition of 300 ng of relaxed covalently closed circular DNA (New England Biolabs, Ipswich, Mass., USA) to a final reaction volume of 20 &#956;L. The samples were incubated at 37° C. for 30 minutes before being terminated by the addition of a buffer containing 5% SDS, 0.25% bromophenol blue, and 25% glycerol. The reactions were then analyzed by agarose gel electrophoresis.
2759	3	Human Topoisomerase I Relaxation Inhibition Assay	Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed with the indicated concentration of compound dissolved before 200 ng of supercoiled pBAD/Thio plasmid DNA was added in the same buffer, for a final volume of 20 &#956;L. Following incubation at 37° C. for 30 minutes, the reactions were terminated with a buffer containing 5% SDS, 0.25% bromophenol blue, and 25% glycerol, and analyzed by agarose gel electrophoresis.Human topoisomerase I and topoisomerase II&#945; were purchased from TopoGen (Buena vista, CO, USA).
2759	4	Human Topoisomerase IIalpha Decatenation Inhibition Assay	Human Topoisomerase II&#945; assays were carried out by adding the compounds to 185 ng of kinetoplast DNA (kDNA, from TopoGen) in the buffer supplied by the manufacturer before the addition of 2 U of the enzyme. The samples were incubated for 15 minutes at 37° C. before the addition of 4 &#956;L of a stop buffer containing 5% sarkosyl, 0.25% bromophenol blue, and 25% glycerol. The reactions were then analyzed by electrophoresis in 1% agarose gels containing 0.5 g/mL ethidium bromide before being photographed under UV light.
2761	1	Human FXR (NR1H4) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit purchased from Indigo Bioscience (Catalogue number: IB00601) to determine the potency and efficacy of compound developed by Enanta that can induce FXR activation. The principle application of this reporter assay system is to quantify functional activity of human FXR. The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 200 ul containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 100 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.
2763	1	In Vitro Assay	ADAMTS-4:The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS4For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS, 5% glycerol) containing hADAMTS4 (0.325 ng/L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, emission 535).
2763	2	In Vitro Assay	ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS-5.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS, 5% glycerol) containing hADAMTS-5 (0.5 ng/L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at Room Temperature (Excitation 485 nm, emission 530).
2763	3	In Vitro Assay	ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID No 2) by human ADAMTS-5.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS 1) containing hADAMTS-5 (1 ng/&#956;L, affinity purified, followed by overnight digestion of 6His tag by thrombin and dialysis) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at 37° C. (Excitation 485 nm, emission 530).
2763	4	In Vitro Assay	TACE:The basis for the assay is the cleavage of the substrate 5FAM-LAQAVRSSSRK-5TAMRA (SEQ ID No 3) (Anaspec, custom 34891) by human TACE (R&D SYSTEMS INC., Cat #930-ADB).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (25 mM Tris pH8.0, 2.5 &#956;M ZnCl2, 0.01% CHAPS) containing TACE (0.05 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 5FAM-LAQAVRSSSRK-5TAMRA (5 L, 5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 75 min at room temperature (Excitation 485 nm, Emission 530).
2763	5	In Vitro Assay	Inhibition of the proteases human MMP1 was determined at REACTION BIOLOGY (Reaction Biology Corp. 1 Great Valley Parkway, Suite 2 Malvern, Pa. 19355, USA) in fluorescent based biochemical assays. The protease activities were monitored as a time-course measurement of the increase in fluorescence signal from fluorescently-labeled peptide substrates, and initial linear portion of slope (signal/min) was analyzed.
2763	6	In Vitro Assay	MMP2: Protocol 1: The basis for the assay is the cleavage of the substrate 520 MMP fret substrate XV (Anaspec, Catalog #: AS-60582-01) by human MMP2 (R&D SYSTEMS INC. Systems Inc., Cat #902-MP).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Tris pH 7.5, 10 mM, CaCl2, 150 mM NaCl, 0.05% Brij35) containing preactivated MMP2 (0.0125 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP2 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 hour at 37° C.The reaction is initiated by adding to the assay plate 520 MMP fret substrate XV (10 &#956;L, 4 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 30 min at room temperature (Excitation 485 nm, Emission 530).
2763	7	In Vitro Assay	MMP2: Protocol 2: The basis for the assay is the cleavage of the substrate 390 MMP FRET substrate I (Anaspec, Catalog n#: AS-27076) by human MMP2 (R&D SYSTEMS INC., Cat #902-MP).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (45 mM Tris pH 7.5, 9 mM CaCl2, 135 mM NaCl, 0.045% Brij35) containing MMP2 (0.03 ng/L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 390 MMP FRET substrate I (10 &#956;L, 2.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 30 min at room temperature (Excitation 485 nm, Emission 530).
2763	8	In Vitro Assay	MMP-13:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP13 (Chemicon, Cat #CC068).For the dose response (10 point), 4 &#956;L of a dilution series of compound (20 &#956;M highest concentration, 1/5 dilution in water), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 &#956;M ZnCl2) containing MMP13 (0.01 ng/IL) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP13 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 hour at 37° C.The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at room temperature (Excitation 485 nm, Emission 530).
2763	9	In Vitro Assay	MMP-13(2): The basis for the assay is the cleavage of the substrate 520 MMP-fret substrate XV (Anaspec, Catalog #: AS-60582-01) by human MMP13 (Chemicon, Cat # CC068). For the dose response (10 point), 4 uL of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 uM), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 uL buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 uM ZnCl2) containing MMP13 (6.25 10-6 ug/uL) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The reaction is initiated by adding to the assay plate 520 MMP-fret substrate XV (10 uL, 4 uM) in the same buffer. Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, Emission 530).
2763	10	In Vitro Assay	MMP-14:The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat # AS-27076) by human MMP14 (Biomol, Cat #SE-259).For the dose response (10 point), 4 &#956;L of a dilution series of compound 2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM MOPS pH7, 5 mM CaCl2, 1 &#956;M ZnCl2, 0.1% Brij-35) containing MMP14 (0.05 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, Emission 530).
2764	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
2765	1	Homogeneous Time-Resolved Fluorescence (HTRF)	Btk kinase activity was determined using a Homogeneous Time-Resolved Fluorescence (HTRF) methodology (Cisbio). Measurements were performed in a reaction volume of 10 &#956;L using 384-well (OptiPlate-384, purchased from Perkin Elmer) assay plates. Compounds were 3-fold serially diluted with 100% DMSO from 1 mM (11 concentrations), then 4 &#956;L of the compounds of each concentration were transferred to 96 &#956;L of the reaction buffer (50 mM HEPES, pH7.4, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 0.005% BAS, 2 mM DTT), Then 2.5 &#956;L of the mixture was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), followed by addition of 5 &#956;L of BTK kinase (purchased from Millipore). The mixture was centrifuged and incubated for 5 min. Then 2.5 &#956;L of (ATP (ATP at Km)+TK peptide) (HTRF KinEASE -TK, purchased from Cisbio) was added to the reaction system and the reaction was initiated (the total reaction volume was 10 &#956;L). The assay plate was incubated at 23° C. in an incubator for 120 min, then the reaction was quenched by addition of 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (purchased from Cisbio) and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio), respectively, and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (Envision, purchased from Perkin Elmer) with an excitation wavelength (&#955;Ex) of 320 nm and detection wavelengths (&#955;Ex) of 615 and 665 nm. 
2767	1	Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM 1050 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
2776	1	High-Throughput Competitive Fluorescence Polarization (FP) Screening Assay	A high-throughput competitive fluorescence polarization (FP) screening assay (Z-factor, 0.62) was developed based on the direct binding interaction between FITC-MCL-1 SAHBA and MCL-1&#916;N&#916;C (EC50, 14 nM) (FIGS. 1A, 2A, and 3A). A compilation of 71,296 small molecules was screened for the capacity to displace FITC-MCL-1 SAHBA from recombinant MCL-1&#916;N&#916;C (aa 172-327) (FIG. 4). To enrich for MCL-1-selective molecules by detecting binding activity for the BCL-XL subclass of anti-apoptotic proteins, the library was also counterscreened using a competitive FP assay (Z-factor, 0.71) developed based on the direct and selective interaction between FITC-BAD BH3 and BCL-XL&#916;C (EC50, 26 nM) (FIGS. 1B, 2B, and 3B). Small molecules with an apparent preference for MCL-1&#916;N&#916;C (208 compounds, 0.3% hit rate), as defined both by >50% displacement of the FITC-MCL-1 SAHBA/MCL-1&#916;N&#916;C interaction and a >45% difference in peptide displacement from MCL-1&#916;N&#916;C vs. BCL-XL&#916;C, were advanced to increasingly stringent confirmatory in vitro binding assays including: (1) repeat single-dose testing of 208 molecules in the differential competitive FP screen; (2) alternative single-dose selectivity screen for 130 confirmed MCL-1-directed antagonists comparing relative displacement of FITC-BID BH3, a dual binder,35 from MCL-1 &#916;N&#916;C vs. BCL-XL&#916;C; and then (3) dose-responsive competitive binding of the 64 most selective molecules against the FITC-MCL-1 SAHBA/MCL-1 &#916;N&#916;C complex (FIG. 4). 
2779	1	Autotaxin Assay	ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released from the substrate, lysophosphatidylcholine (LPC) as it is cleaved to LPA. Conditioned media is collected from confluent Hep3B cells and concentrated 20-fold using Centriprep-30 filter devices (Millipore). To assay for autotaxin inhibition, 10-20 &#956;L of the concentrated conditioned media is incubated with 2.5 &#956;L of a test compound in DMSO and 72.5-82.5 &#956;L lyso-PLD buffer (100 mM Tris pH 9, 500 mM NaCl, 5 mM MgCl2, 5 mM CaCl2, 0.05% Triton X-100 in the presence or absence of 0.2% fatty-acid-free human serum albumin) for 15 min at 37° C. After the 15 min incubation, 5 ul of 2 mM LPC (14:0; Avanti Polar Lipids Cat#855575C) diluted in lyso-PLD buffer is added for a final concentration of 100 uM and the incubation continues for 1.5-3 hours at 37° C. 100 &#956;l of a color mix containing 4.5 mM 4-aminoantipyrine, 2.7 mM N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine, 21 units/ml horseradish peroxidase and 3 units/ml choline oxidase in 50 mM Tris, pH 8, 4.5 mM MgCl2 is added and the incubation continued for 15 minutes at room temperature before reading the absorbance at 555 nm.
2780	1	Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
2784	1	Pharmacological Assay	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are designed for studying the stimulation of human TLR8 or TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Therefore the reporter expression is regulated by the NF-&#954;B promoter upon stimulation of human TLR8 or TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Calif., USA) at a wavelength of 640 nm, a detection medium that turns purple/blue in the presence of alkaline phosphatase.
2785	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#152;1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
2785	2	FGFR Enzymatic Assay 2	The compounds of the invention assayed in the FGFR Enzymatic Assay after dilution in assay buffer are added to the plate and pre-incubated for 5 to 10 minutes.
2789	1	Biological Assay 	Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer (50 mM sodium phosphate, pH 7.4) yielded a final DMSO concentration &#8806;2%. Enzyme and compounds were set to pre-incubate in flat-bottomed microtiter plates for approximately 60 minutes before initiating the reaction by addition of a mixture of HRP, benzylamine and Amplex reagent. Fluorescence intensity was then measured at several time points (15 minutes, 20 minutes and 30 minutes) exciting at 544 nm and reading the emission at 590 nm). Final concentrations of the reagents in the assay wells were: SSAO enzyme 2 &#956;g/ml, benzylamine 100 &#956;M, Amplex reagent 20 &#956;M, HRP 0.1 U/mL and varying concentrations of test compound. The inhibition was measured as % decrease of the signal compared to a control without inhibitor (only diluted DMSO). 
2791	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 uL reactions were run in white 384 well polystyrene plates dotted with 0.8 uL compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 uM Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25&deg; C. Reactions were stopped by addition of 10 uL STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA), supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 ug/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light. Pim-2 kinase assay-20 uL reactions were run in white 384 well polystyrene plates dotted with 0.8 uL compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 uM Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25&deg; C. Reactions were stopped by addition of 10 uL TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2800	1	In-Vitro Binding Assay	All assays were performed in 384 well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and 16 low controls. Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Perkin Elmer/Caliper Twister II) and an incubator (Liconic STX40, Thermo Cytomat 2C450). The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO HummingBird nanodispenser (Zinsser Analytic). The assay was started by stepwise addition of 4.5 ul per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 45 nM His-Brd2(60-472) or 45 nM His-Brd3(20-477) or 45 nM His-Brd4(44-477) all proteins produced in-house) and 4.5ul per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 60 nM acetyl-histone H4 (AcK 5, 8, 12, 16) (Biosyntan GmbH)). Reactions were incubated at 30&deg; C. for 35 minutes. Subsequently 4.5 ul per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.1% BSA, 50 mM NaCl, 3 nM Eu-labeled anti-His6 antibody, 21 nM streptavidin-allophycocyanin) were added. After 35 minutes incubation at 30&deg; C., plates were measured in a Perkin Elmer EnVision multilabel reader. Concentrations causing 50% inhibition (IC50 values) were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
2800	2	AlphaScreen In-Vitro Binding Assay 	In order to assess bromodomain selectivity, we set up a binding assay using the bromodomain encoded by the CREBBP gene. Compounds were tested in the CREBBP assay with a similar protocol, however using AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, Perkin Elmer) as detection readout instead of TR-FRET. The assay was started by stepwise addition of 4.5&#956;l per well of bromo domain protein (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 324 nM His-CREBBP(1081-1197) (custom production at Viva Biotech Ltd.)) and 4.5&#956;l per well of peptide solution (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 120 nM acetyl-histone H4 (AcK 5, 8, 12) (Biosyntan GmbH)). Reactions were incubated at 30° C. for 35 minutes. Subsequently 4.5 &#956;l per well detection mix (50 mM HEPES, pH 7.5, 0.005% Tween20, 0.02% BSA, 150 mM NaCl, 45 &#956;g/ml Ni-chelate acceptor beads, 45 &#956;g/mIstreptavidin-donor beads) (Perkin Elmer)) were added. After 60 minutes incubation at room temperature, plates were measured in a Perkin Elmer EnVision multilabel reader. IC50 values were determined from percent inhibition values at different compound concentrations by non-linear regression analysis.
2802	1	Inhibition Assay	The inhibitory activities on T790M/L858R double mutant EGFR kinase (Invitrogen, PV4879) and wild-type EGFR kinase (Invitrogen, PV3872) were determined by the z&#8242;-lyte assay.The working concentrations of each component in 10 &#956;L T790M/L858R kinase reaction system were: 25 &#956;M ATP, 0.1 ng/&#956;L T790M/L858R kinase, 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). The concentration of DMSO after addition of the compound prepared in the above examples of the present invention (i.e., the compound to be tested) was 2 vol %.The working concentrations of each component in 10 &#956;L wild-type EGER kinase reaction system were: 10 &#956;M ATP, 0.8 ng/&#956;L wild-type EGFR kinase, 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). The concentration of DMSO after addition of the compound to be tested was 2 vol %.10 mM drug stock solution was dissolved at room temperature and diluted to a final concentration of 4-0.002 &#956;M with 8 vol % DMSO solution. 2.5 &#956;L of the solution of the compound to be tested and 5 &#956;L of the mixture of T790M/L858R kinase (or wild-type EGFR kinase) and Tyr04 substrate diluted with the reaction buffer were added to each well. Then 2.5 &#956;l of ATP was added to initiate the reaction. Wherein, ATP was replaced by the reaction buffer in C1 well, no drug was added to C2 well, and the phosphorylated substrate was added to C3 well according to the instructions. The mixture was allowed to react at 25° C. in a shaker in dark for 60 min, 5 &#956;L of Development Reagent B (invitrogen, diluted with TR-FRET dilution buffer) was added and allowed to react at room temperature in the shaker for 60 minutes. The plate was read on a Victor X5 plate reader (PerkinElmer) and the absorbance was measured at excitation wavelengths of 405 nm and emission wavelengths of 450 nm and 520 nm (for example, C3520 nm indicates the absorbance for C3 well at 520 nm)
2806	1	Inhibition Assay	The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria are prepared from frozen cynomolgus monkey adrenal glands according to Method A described in by J. D. McGarry et al. (Biochem. J., 1983, 214, 21-28), with a final resuspension in the AT buffer described in R. Yamaguchi et al. (Cell Death and Differentiation, 2007, 14, 616-624), frozen as aliquots in liquid nitrogen and stored at &#8722;80° C. until use.Assays are performed in 96-well format in a final volume of 60 &#956;L/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additionally, 2 &#956;M of corticosterone and 6 mg of mitochondrial protein. Reactions are started by the addition of NADPH to 1 mM and allowed to proceed for 60-90 minutes at 37° C. Reactions are terminated by the addition of 60 of acetonitrile. One hundred microliters are then transferred to a glass filter plate and centrifuged at 570×g for 5 minutes and the filtrate is collected. Reaction product aldosterone is quantified by mass spectrometry. To determine the assay blank value (0% activity), NADPH is omitted from some reactions.
2812	1	Enzyme Binding Assay	Method 1: The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2812	2	Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2812	3	Enzyme Binding Assay	Method 2: The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) is then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
2812	4	Enzyme Inhibition Assay	Method 1: The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
2817	1	Biological Evaluation	The assay was performed using H4 neuroglioma cells and using indirect immunofluorescence detection of the endogenous GR receptor. Fixative: 4% PFA. Permeabilization buffer: 0.3% Triton X-100 in PBS. Primary antibody: 1:200 in 5% BSA block. Secondary antibody: 1:800 in 5% BSA block. HCS Cell Mask: 1:6000 in PBS. DAPI: 100 ng/ml.
2818	1	NATIVE RECEPTOR BINDING ASSA	The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. 415, 39-44). Briefly, membranes (25 &#956;g) were incubated in 1 mL of binding buffer [10 mM HEPES, pH 7.4, 5 mM MgCl2 and 0.2% bovine serum albumin (BSA)] containing 10 pM 125I-CGRP and antagonist. After incubation at room temperature for 3 h, the assay was terminated by filtration through GFB glass fibre filter plates (PerkinElmer) that had been blocked with 0.5% polyethyleneimine for 3 h. The filters were washed three times with ice-cold assay buffer (10 mM HEPES, pH 7.4 and 5 mM MgCl2), then the plates were air dried. Scintillation fluid (50 &#956;L) was added and the radioactivity was counted on a Topcount (Packard Instrument). Data analysis was carried out by using Prism and the Ki was determined by using the Cheng-Prusoff equation (Cheng & Prusoff (1973) Biochem. Pharmacol. 22, 3099-3108).Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Complete protease inhibitors (Roche). The cell suspension was disrupted with a laboratory homogenizer and centrifuged at 48,000 g to isolate membranes. The pellets were resuspended in harvest buffer plus 250 mM sucrose and stored at &#8722;70° C. For binding assays, 20 &#956;g of membranes were incubated in 1 mL binding buffer (10 mM HEPES, pH 7.4, 5 mM MgCl2, and 0.2% BSA) for 3 h at room temperature containing 10 pM 125I-hCGRP (GE Healthcare) and antagonist. The assay was terminated by filtration through 96-well GFB glass fiber filter plates (PerkinElmer) that had been blocked with 0.05% polyethyleneimine. The filters were washed 3 times with ice-cold assay buffer (10 mM HEPES, pH 7.4, and 5 mM MgCl2). Scintillation fluid was added and the plates were counted on a Topcount (Packard). Non-specific binding was determined and the data analysis was carried out with the apparent dissociation constant (Ki) determined by using a non-linear least squares fitting the bound CPM data to the equation below:Y obsd = ( Y max - Y min ) &#8290; ( % &#8290; &#8290; I max - % &#8290; Imin &#8290; / &#8290; 100 ) + Y min + ( Y max - Y min ) &#8290; ( 100 - % &#8290; &#8290; I max &#8290; / &#8290; 100 ) 1 + ( [ Drug ] &#8290; / &#8290; K i &#8289; ( 1 + [ Radiolabel ] &#8290; / &#8290; K d ) nH Where Y is observed CPM bound, Ymax is total bound counts, Ymin is non specific bound counts, (Ymax&#8722;Ymin) is specific bound counts, % Imax is the maximum percent inhibition, % I min is the minimum percent inhibition, radiolabel is the probe, and the Kd is the apparent dissociation constant for the radioligand for the receptor as determined by hot saturation experiments.
2821	1	FGFR1 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2821	2	FGFR2 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR2 (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 0.4 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2821	3	FGFR3 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 25 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2821	4	FGFR4 (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2821	5	KDR (VEGFR2) (Enzymatic Assay)	In a final reaction volume of 30 &#956;L, KDR (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 3 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 120 minutes at room temperature the reaction was stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which was present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) was measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) was determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
2828	1	BEAS-2B NQO1 MTT Assay	NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependent two-electron reductions of quinones and protects cells against the toxic and neoplastic effects of free radicals and reactive oxygen species arising from one-electron reductions. The transcription of NQO1 is finely regulated by NRF2, and thus NQO1 activity is a good marker for NRF2 activation. On day one, frozen BEAS-2B cells (ATCC) are thawed in a water bath, counted, and re-suspended at a concentration of 250,000 cells/mL. Fifty microliters of cells are plated in 384 well black clear-bottomed plates. Plates are incubated at 37° C., 5% CO2 overnight. On day two, plates are centrifuged and 50 nL of compound or controls are added to the cells. Plates are then incubated at 37° C., 5% CO2 for 48 hours. On day four, medium is aspirated from the plate and crude cell lysates are made by adding 13 uL of 1× Cell Signaling Technologies lysis buffer with 1 Complete, Mini, EDTA-free Protease Inhibitor Tablet (Roche) for each 10 mL of lysis buffer. After lysis plates are incubated for 20 minutes at room temperature. Two microliters of lysate are removed for use in Cell Titer Glo assay (Promega) and MTT cocktail is prepared (Prochaska et. al. 1998) for measurement of NQO1 activity. Fifty microliters of MTT cocktail is added to each well, plate is centrifuged, and analyzed on an Envision plate reader (Perkin Elmer) using Absorbance 570 nm label for 30 minutes. Product formation is measured kinetically and the pEC50 of NQO1 specific activity induction is calculated by plotting the change in absorbance (Delta OD/min) versus the log of compound concentration followed by 3-parameter fitting.
2830	1	Kinase Dilution	Kinase Activity was measured and profiled by EMD Millipore according to the Kinase Profiler Service Assay Protocols Protocol Guide Volume 57. The results are summarized below in Table 3. Inhibition is indicated as IC50 with the following key: A=IC50 less than 50 nM, B=IC50 greater than 50 nM, but less than 500 nM, C=IC50 greater than 500 nM, but less than 5000 nM, and D=IC50 greater than 5,000 nM. Depending upon the functionality about the quinazoline or quinoline, exemplary compounds of the invention exhibit selectivity for any of c-Met, KDR, c-Kit, flt-3, and flt-4. Abbreviations for enzymes listed in Table 3 are defined as follows: c-Met refers to hepatocyte growth factor receptor kinase; RET refers to RET proto-oncogene kinase; KDR refers to kinase insert domain receptor tyrosine kinase; flt-1 alpha, flt-3, and flt-4, fms-like tyrosine kinases, representative of the FLK family of receptor tyrosine kinases; and Aurora B MP refers to Aurora B kinase.
2834	1	Jarid1A Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2834	2	Jarid1B Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2834	3	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2834	4	JMJD2A Assay	The ability of test compounds to inhibit the activity of JMJD2A was determined in 384-well plate format under the following reaction conditions: 2 nM JMJD2A, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 6 nM JMJD2A to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
2834	5	FBXL10 Assay	The ability of test compounds to inhibit the activity of FBXL10 was determined in 384-well plate format under the following reaction conditions: 0.3 nM FBXL10, 30 nM H3K36me2-biotin labeled peptide (Anaspec cat #64442), 0.2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by AlphaScreen detection after the addition of detection reagents anti-H3K36me1 antibody, AlphaScreen Streptavidin-coated Donor beads, and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA to final 10 &#956;g/ml beads.The assay reaction was initiated by the following: 3 &#956;l of the mixture of 90 nM H3K36me2-biotin labeled peptide and 0.6 &#956;M alpha-ketoglutaric acid with 3 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of 384 well Proxiplate (Perkin Elmer), followed by the addition of 3 &#956;l of 0.9 nM FBXL10 to initiate the reaction. The reaction mixture was incubated at room temperature for 30 minutes, and terminated by the addition of 3 &#956;l of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA containing appropriate dilution of anti H3K36me1 antibody. Plates were incubated at room temperature for 40 minutes, followed by addition of 3 &#956;l of 50 &#956;g/ml AlphaScreen Streptavidin-coated Donor beads and AlphaScreen Protein A Acceptor beads in 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 5 mM EDTA, 2 mg/ml BSA. Plates were read by EnVisionMultilabel Reader in AlphaScreen mode after a minimum of 2 hour or up to overnight incubation at room temperature. The AlphaScreen signal for each well was used to determine inhibition constant (IC50).
2836	1	Wild-Type PRC2 Enzyme Assay	eneral Procedure for Wild-Type PRC2 Enzyme Assay on Oligonucleosome Substrate. The assays was performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and chicken erythrocyte oligonucleosome was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). The final concentrations were as follows: wild-type PRC2 enzyme was 4 nM, non-radioactive SAM was 430 nM, 3H-SAM was 120 nM, chicken erythrocyte olignonucleosome was 120 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The assay was stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the chicken erythrocyte olignonucleosome substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the chicken erythrocyte nucleosomes were immobilized to the surface of the plate, which was then washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled chicken erythrocyte oligonucleosome bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).% Inhibition Calculation% &#8290; &#8290; inh = 100 - ( dpm cmpd - dpm min dpm max - dpm min ) × 100Where dpm=disintegrations per minute, cmpd=signal in assay well, and min and max are the respective minimum and maximum signal controls.Four-Parameter IC50 FitY = Bottom + ( Top - Bottom ) 1 + ( X IC 50 ) Hill &#8290; &#8290; CoefficientWhere top and bottom are the normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and X is the compound concentration.
2840	1	BRET assay	Beta (&#946;) arrestin 2 Interaction Assay (BRET assay) was performed using CHO-K1 cells stably expressing the GPR120 receptor using &#946;-galactosidase (Beta gal) enzyme fragment complementation assay. The measurement of GPR120 activation upon agonist activation was directly provided by &#946;-arrestin recruitment. One day before the &#946;-arrestin 2 assay, CHO-K1 cells were seeded and incubated overnight at 37° C. in a 5% CO2 humidified atmosphere. Cells were treated with the test compounds in the various concentrations ranging from 30 &#956;M to 1 nM and incubated for 2 hours for GPCR (GPR120) activation. Extent of Arrestin recruitment was measured by adding detection reagents for Beta gal complementation assay and was further incubated for 1 hour. The chemi-luminescent signal was detected on Polar Star (BMG Labtech). The dose-response curve was analyzed using Sigma Plot/Graph Pad. The EC50 (concentration of the test compounds where 50% of compounds&#39; maximal activity is observed) values were calculated from the dose-response curve.
2841	1	ATX biochemical assay	ATX (Autotaxin) is a 125 KDa glycoprotein with lysophospholipase D (LPLD) activity that generates the bioactive lipid lysophosphatidic acid (LPA) from lysophosphatidylcholine (LPC). The ATX biochemical assay utilizes a FRET (fluorescence resonance energy transfer) technology platform. The fluorescence signal of FRET substrate FS-3 is quenched due to intra-molecular FRET of a fluorophore to a non-fluorescing quencher (Ferguson, C. G., et al., Org Lett. 2006 May 11; 8(10): 2023-2026, which is incorporated by reference in its entirety). ATX catalyzes the hydrolysis of the substrate which separates the dabsyl quencher from the fluorescein reporter, which becomes fluorescent. The reaction is monitored by a SpectraMax M5 (Molecular Devices, Sunnyvale, Calif.) with at excitation wavelength 485 nm and emission wavelength 535 nm.ReagentsFatty acid free-BSA (Sigma A8806): 10 mg/mL in H2O, stored at 4° C.2×ATX assay buffer: 100 mM Tris, 280 mM NaCl, 10 mM KCl, 2 mM CaCl2, 2 mM MgCl2, pH 7.4.Human ATX protein: expressed and purified in house. Stored at &#8722;80° C.Substrate FS-3 (Echelon, L-2000): 100 &#956;g in 77.74 &#956;L H2O (1 mM stock), stored at &#8722;20° C.384-well flat bottom plates Corning #3575.AssayCompound dilution All compounds were provided at 10 mM in 100% DMSO. In the first well, 2 &#956;L of 10 mM compound was added to 78 &#956;L of DMSO (1:40 dilution). In subsequent wells 3-fold dilution (total 10 dilutions) were performed.1×ATX assay buffer was made up with a final concentration of 1 mg/mL fatty acid free-BSA using 2×ATX assay buffer, 10 mg/ml fatty acid free-BSA and ddH2O.ATX protein was diluted with 1×ATX assay buffer to a concentration of 1.32 &#956;g/mL (1.32×). 38 &#956;L was added per well to the assay plate. The final concentration of ATX in the reaction as 1.0 &#956;g/mL.2 &#956;L per well of compounds was transferred to provide the desired concentration. The plate was centrifuged, then incubated at room temperature for 30 minutes on the shaker.FS-3 was diluted with 1×ATX assay buffer to a concentration of FS-3 of 10 &#956;M (5×). Then, 10 &#956;L was added per well to the assay plate. The final concentration of FS-3 in the reaction was 2 &#956;M. The plate was centrifuged. The plate was kept shaking at room temperature for 2 hours. Because FS-3 substrate is light sensitive, plates were kept covered and protected from light.Fluorescence was measured using SpectraMax M5 (excitation at 485 nm/emission at 538 nm, top read).
2842	1	Inhibition Assay	3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3 or CHO-hD4, respectively), were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.3 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (4 &#956;g and 12 &#956;g of protein for CHO-hD3- and CHO-hD4 membranes, respectively) and lasted for 90 or 100 min (for hD3 or hD4 membranes, respectively) at 23° C. in a final volume of 500 &#956;l. Non specific binding (NSB) was determined in the presence of 1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 &#956;l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.015 to 4.0 nM. Ref: Mackenzie R. G. et al. (1994). Characterization of the human dopamine D3 receptor expressed in transfected cell lines. Eur. J. Pharmacol. 266: 79-85.
2842	2	Functional Calcium Assay	Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were seeded into black walled clear-base 384-well plates at a density of 8,000 cells per well and grown overnight at 37° C. After washing with the assay buffer (20 mM HEPES, 145 mM NaCl, 5 mM KCl, 5.5 mM glucose, 1 mM MgCl2 and 2 mM CaCl2, pH 7.4) containing 2.5 mM Probenecid, cells were incubated with the cytoplasmic Ca2+ probe Fluo-4 AM at 1 &#956;M (final concentration), 37° C. for 60 min. Plates were washed three times as above and placed into a Fluorometric Imaging Plate Reader (FLIPR Tetra, Molecular Devices) to monitor cell fluorescence (ex=470-495 nm, em=515-575 nm) before and after the addition of different concentrations of test compounds. Compounds of invention were dissolved in DMSO and 200-fold diluted with assay buffer plus 0.01% Pluronic F-127. Cells were exposed first to test compounds for 10 min, then to a submaximal concentration of the hD2 receptor agonist dopamine (EC80, 50-140 nM). The fluorescence before compound addition (baseline) and before and after addition of agonist challenge was monitored. The peak of Ca2+ stimulation (baseline subtracted) was plotted versus the concentration of test compound and the curve fitted using a four-parameter logistic equation (XLfit) to assess the agonist/antagonist potency and maximal response.
2843	1	General RORgamma SPA binding assay 	The binding of potential ligands to ROR&#947; is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA). The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 &#956;g/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM, for 10 min at rt in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% glycerol (Sigma Cat#G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined. The IC50 value is defined as the concentration of test compound needed to reduce [3H] 25-hydroxycholesterol specific binding by 50% and is calculated using the four parameter logistic equation to fit the normalized data.
2844	1	The FP assay	The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the T4 binding of TTR. Hits were defined as compounds that induced at least 50% decrease in fluorescence polarization and demonstrated relative fluorescence between 70 and 130%. 200 compounds were designated as positive hits (0.167% hit rate). The 200 hits were then evaluated in a dose-response manner and their IC50 (compound concentration that resulted in 50% decrease in the FP signal) values were determined. The top 100 hits were then purchased and their IC50 was confirmed again in >10-point duplicate dose response FP assay.
2844	2	Determination of Binding Constants of HITS to TTR	Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligand binding to TTR; Binding free energies (&#916;G), enthalpies (&#916;H), and binding entropies (T&#916;S) values are reported in units of kcal mol&#8722;1.
2850	1	Inhibitory Effect on ACAT2 Activity	1. Purpose:The analogues of Pyripyropene A structure were tested for their inhibitory effect on ACAT2 activity at intact cellular level by a method in which a fluorescent-labeled sterol is used for determining ACAT2 activity.2. Principle:An inhibition curve was plotted based on that different concentrations of compounds would cause the fluorescence intensity to change by inhibiting the synthesis of the ester containing NBD22-fluorescent labeled sterol, thereby IC50 was calculated.3. Process:HepG2 cells were cultured in a 96-well plate at a starting density of 1.5×104 cells per well for 24 hours. After the cholesterol mixture was well mixed, the cells were cultured for another 24 hours. Then NBD22-fluorescent labeled sterol at a final concentration of 0.5 &#956;g/ml, and compounds at a final concentration gradient of 0, 0.008, 0.04, 0.2, 1 and 5 &#956;M were added. Three wells were set for each concentration. After incubating for 6 hours, the fluorescence intensity was measured using a fluorescence analyzer (E488, A535). The fluorescence intensity values were plotted against different concentrations of the compounds and IC50 was obtained.
2851	1	Recombinant Enzyme Assa	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH. Substrate solution was prepared (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 20 mM L-glutamine, 2 mM NAD+, and 10 ppm antifoam) and 50 &#956;L added to a 96-well half area clear plate (Corning #3695). Compound (2 &#956;L) was added to give a final DMSO concentration of 2% at 2× the desired concentration of compound. Enzymatic reaction was started with the addition of 50 &#956;L of enzyme solution (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 10 ppm antifoam, 4 units/ml GDH, 4 mM adenosine diphosphate, and 4 nM GAC) and read in a Molecular Devices M5 plate reader at 20° C. The plate reader was configured to read absorbance (&#955;=340 nm) in kinetic mode for 15 minutes. Data was recorded as milli-absorbance units per minute and slopes were compared to a control compound and a DMSO-only control on the same plate. Compounds with slopes less than the DMSO control were considered inhibitors and plate variability was assessed using the control compound.
2861	1	ERK-2 Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. The data collected from each well was fit to a straight line, and the resulting rates were used to calculate percent of control. Percent of control was plotted against compound concentration, and IC50 values were determined using a four-parameter fit. Table 1 contains representative data for compounds disclosed herein. 
2862	1	In Vitro RORc Ligand Binding Assay	Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonate (CHAPS) 96-well polypropylene U-bottom Nunc 267245 assay plate HEPES buffer, 1M Sigma H3375 Magnesium chloride (MgCl2) Sigma M8266 D,L-Dithiothreitol (DTT) Sigma D0632 Sodium chloride (NaCl) Sigma 71382 Bovine serum albumin (BSA) Sigma A7030 [lyophilized powder, &#8805;98% (agarose gel electrophoresis), Essentially fatty acid free, essentially globulin free] 25-hydroxycholesterol Sigma H1015 25-[26,27-3H]hydroxycholesterol Perkin Elmer NET674250UC American Radiolabeled Chemicals ART0766 RORc ligand binding domain Genentech (e.g., PUR 28048), expressed in E. coli Plate seals Perkin Elmer 6005185 Microscint 0 Perkin Elmer 6013611. Final concentrations were as follows: 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2, 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB wells, 1 uM 25-hydroxycholesterol was also present.
2867	1	KDM2B TR-FRET Assay	Full length KDM2B was cloned, expressed, and purified to homogeneity. Compound inhibition of KDM2B demethylase activity was assessed by monitoring the methylation status of a biotin-H3K36me2 peptide substrate (H2N-RKSAPATGGV(KMe2)KPHRYRPGTV-NTPEGBiot; New England Peptide) in the presence of &#945;-keotglutarate (2-OG) and iron (Fe2+) using the TR-FRET assay technology (Cisbio). Specifically, in a 384 well ProxiPlate KDM2B (5 mM final), ascorbate (500 &#956;M final) and DTT (2 mM final) were combined with the biotin-H3K36me2 peptide substrate (200 nM final), 2-OG (0.3 &#956;M or 6 &#956;M final; Sigma K2010) and Fe2+ (100 &#956;M final; Sigma F1543) in 50 mM HEPES (pH 6.5) and 0.01% Triton-X 100 either in the presence of DMSO (final 0.25% DMSO) or compound dilution series in DMSO and mixed. After a two hour incubation at room temperature, a mixture of EU-anti-H3K36me1 antibody (2 nM final; Cisbio #64CUSKAZ), and Streptavidin-d2 (50 nM final; Cisbio #64CUS000) in 200 mM KF, 200 mM EDTA, 0.1% BSA and 50 mM HEPES (pH 6.5) was added. After 1 hour incubation, the plates were read on an Envision instrument, the readouts were transformed into % inhibition, and IC50 values were generated using a four parameter logistic model (XLFIT5). 
2871	1	IDH1-R132H and IDH1-R132C Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with the four parameter logistic equation.
2873	1	CFTR-YFP Assay	Fisher Rat Thyroid (FRT) cells stably expressing both human F508del CFTR and a halide-sensitive yellow fluorescent protein (YFP-H148Q/I152L 25,22) (Galietta et al., Am. J. Physiol Cell Physiol 281(5), C1734, 2001) were cultured on plastic surface in Coon&#39;s modified Ham&#39;s F12 medium supplemented with FBS 10%, L-glutamine 2 mM, penicillin 100 U/ml, and streptomycin 100 &#956;g/ml. G418 (0.75-1.0 mg/ml) and zeocin (3.2 ug/ml) were used for selection of FRT cells expressing F508del CFTR and YFP. For primary screening, FRT cells were plated into 384-well black wall, transparent bottom microtiter plates (Costar; Corning Inc.) at a cell density of 20,000-40,000 per well. Cells were incubated in a cell culture incubator at 37° C. with 5% CO2 for 24-26 h. Assay plates were washed with DPBS media (Thermo, cat #SH30028.02) to remove unbound cells. Test compound was applied to the cells at varying concentrations ranging from 2 nM-40 &#956;M in either a 2-fold or 3-fold dilution series in DPBS and stimulated with 20 &#956;M Forskolin (final concentration) in Hams F-12 coon&#39;s modified media. Plates were incubated at room temperature for 60-120 min. 25 &#956;L of HEPES-PBS-I buffer (10 mM HEPES, 1 mM MgCl2, 3 mM KCl, 1 mM CaCl2, 150 mM NaI) was then added and fluorescence quench curves (Excitation 500 nm/Emission 540 nm; exposure 136 ms) were immediately recorded on an FDSS-6000 plate reader (Hamamatsu). Quench rates were derived from least squares fitting of the data as described by Sui et al (2010).
2875	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
2877	1	TBD	TBD
2878	1	Measurement of BTK Inhibitory Activity (In Vitro)	In a condition set for a method of measuring inhibitory activity in vitro of the compounds against BTK kinase activity, FL-Peptide 2 was used as a substrate, since it was described in a price list of LabChip (Registered trademark) series sample consumables of PerkinElmer Co., Ltd. that FL-Peptide 2 corresponded to a substrate peptide in a measurement of BTK kinase activity. The refined recombinant human BTK protein used in the test was purchased from Carna Biosciences, Inc.With regard to the measurement of the inhibitory activity of the compounds, firstly, monofumarate of Compound A was diluted stepwise with dimethyl sulfoxide (DMSO). Subsequently, BTK protein, a substrate peptide (final concentration was 1 &#956;M), magnesium chloride (final concentration was 10 mM), ATP (final concentration was 45 &#956;M), and a DMSO solution of the test compounds (final concentration of DMSO was 5%) were added to a buffer solution for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiotheitol, 0.01% Triton X-100), and after the solution was incubated for 40 minutes at 25° C., a kinase reaction was carried out. The reaction was terminated by adding EDTA thereto so as to obtain a final concentration of 30 mM. Finally, a substrate peptide that was not phosphorylated (S) and a phosphorylated peptide (P) were separated and detected by microchannel capillary electrophoresis with a LabChip EZ Reader II (PerkinElmer, Inc.). The amounts of phosphorylation reaction were determined from the individual peak heights of S and P, and the compound concentration at which the phosphorylation reaction could be suppressed by 50% was defined as the IC50 value (nM).
2878	2	Measurement of EGFR Inhibitory Activity	With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, it is described in the consumable reagent supplies price list for LabChip (registered trademark) series of PerkinElmer, Inc. that FL-PEPTIDE 22 corresponds to a substrate peptide for the measurement of EGFR kinase activity. Therefore, a biotinated peptide (biotin-EEPLYWSFPAKKK) was produced by referring to the amino acid sequence of the peptide. The purified recombinant human EGFR protein used in the test was purchased from Carna Biosciences, Inc.With regard to the measurement of the inhibitory activity of the compounds, firstly, monofumarate of Compound A was diluted stepwise with dimethyl sulfoxide (DMSO). Subsequently, EGFR protein, a substrate peptide (final concentration was 250 nM), magnesium chloride (final concentration was 10 mM), manganese chloride (final concentration was 10 mM), ATP (final concentration was 1.5 &#956;M), and a DMSO solution of the test compounds (final concentration of DMSO was 2.5%) were added to a buffer solution for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiotheitol, 0.01% Triton X-100), and after the solution was incubated for 120 minutes at 25° C., a kinase reaction was carried out. The reaction was terminated by adding EDTA thereto so as to obtain a final concentration of 24 mM. Subsequently, a detection liquid containing Eu-labeled anti-phosphotyrosine antibody PT66 (PerkinElmer, Inc.) and SURELIGHT APC-SA (PerkinElmer, Inc.) was added thereto, and the system was left to stand for 2 hours or longer at room temperature. Finally, the amount of fluorescence upon irradiation with excitation light having a wavelength of 337 nm was measured at two wavelengths of 620 nm and 665 nm, with a PHERAstar FS (BMG Labtech GmbH). The amount of phosphorylation reaction was determined from the ratio of the amounts of fluorescence at the two wavelengths, and the compound concentration at which the phosphorylation reaction could be suppressed by 50% was defined as the IC50 value (nM).
2881	1	The screening assay for Wnt activity	Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., colon cancer) or primary cells (e.g., IEC-6 intestinal cells) with a lentiviral construct that includes a Wnt-responsive promoter driving expression of the firefly luciferase gene.SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/ml of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. For Sp5-Luc reporter gene assays, the cells were plated at 10,000 cells/well in 96-well plates with growth medium containing 10% fetal calf serum and incubated overnight at 37° C. and 5% CO2. Each compound was dissolved in DMSO as a 10 mM stock in standard j-vials and used to prepare compound source plates in dose-response format with 3-fold serial dilutions and a 10 mM top concentration. Compound transfer from serially diluted source plates to assay plates containing the cells was accomplished using a pintool (Multimek 96, Beckman equipped with V&P Scientific FP1S50H pins) based liquid handling protocol. This protocol used a slotted pin to transfer 50 nl of compound from a source plate well to an assay plate well containing 50 &#956;l of cells in growth medium. The 1000-fold dilution resulted in a final DMSO concentration of 0.1% on the cells in each well. Control wells received 50 nl of DMSO treatment for normalization and calculating IC50 values. The treated cells were incubated at 37° C. and 5% CO2 for an additional forty-two hours. Following incubation, the growth medium was removed and 50 &#956;l of BrightGlo luminescence reagent (Promega) was added to each well of the 96-well assay plates. The plates were placed on an orbital shaker for 5 min and then luminescence was quantified on the Victor3 (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for IC50 calculations using the dose-response log (inhibitor) vs. response variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 or 6.0.
2882	1	Measurement of Interferon Production in Human PBMC	Activation of human TLR7 results in robust production of interferon by plasmacytoid dendritic cells present in human blood. The potential of compounds to induce interferon was evaluated by looking at the antiviral activity in the HCV replicon system upon incubation with conditioned media from peripheral blood mononuclear cells (PBMC). The HCV replicon assay is based on a bicistronic expression construct, as described by Lohmann et al. (Science (1999) 285: 110-113; Journal of Virology (2003) 77: 3007-15 3019) with modifications described by Krieger et al. (Journal of Virology (2001) 75: 4614-4624). The assay utilized the stably transfected cell line Huh-7 luc/neo harboring an RNA encoding a bicistronic expression construct comprising the wild type NS3-NS5B regions of HCV type 1b translated from an Internal Ribosome Entry Site (IRES) from encephalomyocarditis virus (EMCV), preceded by a reporter gene (Firefly-luciferase) and a selectable marker gene (neoR, neomycine phosphotransferase). The construct is flanked by 5&#8242; and 3&#8242; NTRs (non-translated regions) from HCV type 1b. Continued culture of the replicon cells in the presence of G418 (neoR) is dependent on the replication of the HCV RNA. The stably transfected replicon cells that replicate HCV RNA autonomously and to high levels, encoding inter alia luciferase, were used for profiling of the conditioned cell culture media. Briefly, PBMCs were prepared from buffy coats of at least two donors using a standard Ficoll centrifugation protocol. Isolated PBMCs were resuspended in RPMI medium supplemented with 10% human AB serum and 2×105 cells/well were dispensed into 384-well plates containing compounds (70 &#956;L total volume). After overnight incubation, &#956;L of supernatant was transferred to 384-well plates containing 2.2×103 replicon cells/well in 30 &#956;L (plated the day before). Following 24 hours of incubation, replication was measured by assaying luciferase activity using 40 &#956;L/well Steady Lite Plus substrate (Perkin Elmer) and measured with ViewLux ultraHTS microplate imager (Perkin Elmer). The inhibitory activity of each compound on the Huh7-luc/neo cells were reported as EC50 values, defined as the compound concentration applied to the PBMCs resulting in a 50% reduction of luciferase activity which in turn indicates the degree of replication of the replicon RNA on transfer of a defined amount of PBMC culture medium. Recombinant interferon &#945;-2a (Roferon-A) was used as a standard control compound.
2884	1	PTPN11 Enzymatic Assay	Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purification of Ni affinity followed by S75 size exclusion chromatography.Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP; Molecular Probes) as the substrate. Enzyme (250 pM) was incubated with or without increasing concentrations of compounds in assay buffer (62.5 mM HEPES, 125 mM NaCl, 1 mM EDTA, 1.25 mM TECP, 0.1% BSA) for 30 min at room temperature. Reaction was initiated by addition of DiFMUP (50 &#956;M) at room temperature in 384-well black plate with a final reaction volume of 20 uL in assay buffer. After 1 hour, DiFMUP fluorescence signal was measured (Ex: 340/Em: 460) using Envision plate reader. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener). Curves were normalized to a high controls without inhibitor, and low controls without enzyme. Results are given below in Table 1. Other compounds disclosed herein are expected to have activity similar to the results below, showing activity as PTPN11 inhibitors.
2884	2	pERK AlphaScreen Protocol	KYSE-520 cells (10 k cells/well) were grown in 384-well plate in 20 uL of medium (RPMI-1640, without phenol red, containing 10% FBS) at 37° C. with 5% CO2 overnight. DMSO (control) or increasing concentrations of compounds were diluted in medium, added to the 384-well plate (5 uL/well, final DMSO concentration of 1%), and cells were then incubated with compounds for 2 hr. Phospho-ERK levels were measured using phospho-ERK1/2 AlphaScreen SureFire (PerkinElmer, TGRESB10K) following manufacturer&#39;s recommendations. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener). Curves were normalized to a high control without inhibitor (DMSO only), and low control (1 &#956;M selumetinib).
2888	1	In Vitro CSF-1R Kinase Activity	The CSF-1R construct corresponds to recombinant human catalytic domain (aa 538-910), which was purchased from Invitrogen (cat #PV4092). CSF-1R was mixed with peptide substrate (biotin-TYR1, Sequence: Biotin-(Ahx)-GAEEEIYAAFFA-COOH, 4 &#956;M final) at varying inhibitor concentrations in reaction buffer: 50 mM MOPSO pH 6.5, 10 mM MgCl2, 2 mM MnCl2, 2.5 mM DTI, 0.01% BSA, 0.1 mM Na3VO4 and 0.1 mM ATP. After about 60 min incubation at rt, the reaction was quenched by addition of EDTA (final concentration: 100 mM) and developed by addition of detection reagents (final approximate concentrations: 30 mM HEPES pH 7.0, 0.06% BSA, 0.006% Tween-20, 0.24 M KF, 80 ng/mL PT66K (europium labeled anti-phosphotyrosine antibody cat #61T66KLB Cisbio, Bedford, Mass.) and 0.6 &#956;g/mL SAXL (Phycolink streptavidin-allophycocyanin acceptor, cat #PJ25S, Prozyme, San Leandro, Calif.). The developed reaction was incubated in the dark for about 60 min at rt, then read via a time-resolved fluorescence detector (Rubystar, BMG) using a 337 nm laser for excitation and monitoring emission wavelength at 665 nm. Within the linear range of the assay, the observed signal at 665 nm was directly related to phosphorylated product and can be used to calculate the IC50 values.
2888	2	In Vitro BTK Kinase Activity	The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and purified by immobilized metal affinity chromatography. BTK was mixed with peptide substrate (biotin-TYR1, Sequence: Biotin-(Ahx)-GAEEEIYAAFFA-COOH, 0.4 &#956;M final) at varying inhibitor concentrations in reaction buffer: 50 mM MOPSO pH 6.5, 10 mM MgCl2, 2 mM MnCl2, 2.5 mM DTT, 0.01% BSA, 0.1 mM Na3VO4 and 0.01 mM ATP. After about 60 min incubation at rt, the reaction was quenched by addition of EDTA (final concentration: 100 mM) and developed by addition of detection reagents (final approximate concentrations: 30 mM HEPES pH 7.0, 0.06% BSA, 0.006% Tween-20, 0.24 M KF, 80 ng/mL PT66K (europium labeled anti-phosphotyrosine antibody cat #61T66KLB Cisbio, Bedford, Mass.) and 0.6 &#956;g/mL SAXL (Phycolink streptavidin-allophycocyanin acceptor, cat #PJ25S, Prozyme, San Leandro, Calif.). The developed reaction was incubated in the dark for about 60 min at rt, then read via a time-resolved fluorescence detector (Rubystar, BMG) using a 337 nm laser for excitation and monitoring emission wavelength at 665 nm. Within the linear range of the assay, the observed signal at 665 nm was directly related to phosphorylated product and can be used to calculate the IC50 values.
2891	1	Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 &#956;L reaction mixture contained 20 &#956;M ATP, 1 &#956;M biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 &#956;L of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). 
13192	1	GCN2 Enzyme Assay	TBD
13193	1	HDAC6 TR-FRET Displacement Assay	Displacement of fluorescein labeled tracer 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-({[5-(4-{[7-(hydroxycarbamoyl)-2H,3H,4H,5H-thieno[2,3-f][1,4]oxazepine-4-carbonyl]amino}phenoxy)pentyl]carbamothioyl}amino)benzoic acid from HDAC6 was measured in vitro using a TR-FRET assay. The assays were performed in 1536-well plates in a total volume of 6 μL in assay buffer consisting of 50 mM HEPES pH 7.5, 50 mM NaCl, 50 mM KCl, 0.01% Triton X-100, 0.5 mM GSH, 0.03% BGG, 0.01% BSA.
2896	1	Biochemical Assay	Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well assay plate DMSOEnzyme Reaction Conditions 50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 2 mM DTT 5 nM LRRK2 134 &#956;M ATP 60 minute reaction time 23° C. reaction temperature 10 &#956;L total reaction volumeDetection Reaction Conditions 1× TR-FRET dilution buffer 10 mM EDTA 2 nM antibody 23° C. reaction temperature 10 &#956;L total reaction volumeCompounds were prepared by initially diluting to 1 mM with DMSO. 35 &#956;L of reference compound solution, 35 &#956;L of test compound solution, and 35 &#956;L HPE were successively added to the source plate (384-well assay plate, Labcyte). The plates were centrifuged at 2500 rpm for 1 minute and sealed in foil. POD was used to perform a 3.162 fold serial dilution and 100 nL of reference compound solution, test compound solution, HPE and ZPE were transferred to assay plates. The assay plate was centrifuged at 2500 rpm for 1 minute, and sealed with foil.To perform the enzyme reaction, 5 &#956;L of LRRKtide substrate and kinase mixture in assay buffer was added to all wells of the assay plate. The plate was centrifuged to concentrate the mixture at the bottom of the wells. The assay plate was incubated at 23° C. for 20 minutes. Following incubation, 5 &#956;L of 2× ATP in assay buffer was added to each well, and plates were centrifuged to concentrate the mixture at the bottom of the wells. The plate was incubated at 23° C. for 60 minutes.To perform the detection of the reaction, EDTA completely mixed in TR-FRET dilution buffer was added to antibody reagent. 10 &#956;L of detection reagent was added to all wells of each well of the assay plate and the plate was centrifuged to concentrate the mixture at the bottom of the wells. The plate was then incubated at 23° C. for 60 minutes. Plates were read on Perkin Elmer Envision 2104 instrument in TR-FRET mode using a 340 nm excitation filter, 520 nm fluorescence emission filter, and 490 or 495 nm terbium emission filter.
2897	1	Inhibition Assay	CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 &#956;l containing 50 mM Hepes pH7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl, Histone H1 (1 mg/ml), 10 mM magnesium acetate and 0.02 mM [33P-g-ATP](500-1000 cpm/pmole) and incubated for 30 min at room temperature. Assays were stopped by addition of 5 &#956;l of 0.5 M (3%) orthophosphoric acid and then harvested onto P81 Unifilter plates with a wash buffer of 50 mM orthophosphoric acid. 
2897	2	Inhibition Assay	CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTSPSYSPTSPSYSPTSPKKK) in a final volume of 25.5 &#956;l containing 50 mM Tris pH 7.5, 0.1 mM EDTA, 10 mM DTT, 1 mg/ml BSA, 0.3 mM YSPTSPSYSPTSPSYSPTSPKKK, 10 mM magnesium acetate and 0.05 mM [33P-&#947;-ATP] (50-1000 cpm/pmole) and incubated for 30 mM at room temperature. Assays were stopped by addition of 5 &#956;l of 0.5 M (3%) orthophosphoric acid and then harvested onto P81 Unifilter plates with a wash buffer of 50 mM orthophosphoric acid. 
2898	1	Enzymatic Activity In Vitro Assays	The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separation of a phosphorylated peptide substrate from unphosphorylated peptide. The enzymatic reaction occurred in a buffer of 100 mM HEPES pH 7.5, 5 mM MgCl2, 0.01% Triton-X 100, 0.1% Bovine Serum Albumin, and 1% DMSO. Three-fold dilutions of compounds were prepared in DMSO. Compounds were added to enzyme and pre-incubated for 15 minutes prior to reaction. The enzymatic reaction was initiated by addition of phospho-acceptor peptide FAM-GEEPLYWSFPAKKK-NH2 (also known as SRCtide) to 1 &#956;M and ATP to its Km value (ITK: 10 &#956;M). The reaction proceeded for 6 hours and was terminated by addition of EDTA. The assay employed an enzyme concentration of 0.2 nM. The top compound concentration was 5 &#956;M. The amount of phosphorylated substrate was determined by the Caliper instrumentation, and dose-response curves were fit using standard methods to determine the IC50 values.
2900	1	FRET Activity Assay	The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand binding domain was cloned into vector pDEST15 (Invitrogen). Expression was under control of an IPTG inducible T7 promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM_005123 (RefSeq). Expression and purification of the FXR-LBD: An overnight preculture of a transformed E. coli strain was diluted 1:20 in LB-Ampicillin medium and grown at 30° C. to an optical density of OD600=0.4-0.6. Gene expression was then induced by addition of 0.5 mM IPTG. Cells were incubated an additional 6 h at 30° C., 180 rpm. Cells were collected by centrifugation (7000×g, 7 min, rt). Per liter of original cell culture, cells were resuspended in 10 mL lysis buffer (50 mM Glucose, 50 mM Tris pH 7.9, 1 mM EDTA and 4 mg/mL lysozyme) and left on ice for 30 min. Cells were then subjected to sonication and cell debris removed via centrifugation (22000×g, 30 min, 4° C.). Per 10 mL of supernatant 0.5 mL prewashed Glutathione 4B sepharose slurry (Qiagen) was added and the suspension kept slowly rotating for 1 h at 4° C. Glutathione 4B sepharose beads were pelleted by centrifugation (2000× g, 15 sec, 4° C.) and washed twice in wash buffer (25 mM Tris, 50 mM KCl, 4 mM MgCl2 and IM NaCl). The pellet was resuspended in 3 mL elution buffer per liter of original culture (elution buffer: 20 mM Tris, 60 mM KCl, 5 mM MgCl2 and 80 mM glutathione added immediately prior to use as powder). The suspension was left rotating for 15 min at 4° C., the beads pelleted and eluted again with half the volume of elution buffer than the first time. The eluates were pooled and dialysed overnight in 20 mM Hepes buffer (pH 7.5) containing 60 mM KCl, 5 mM MgCl2 as well as 1 mM dithiothreitol and 10% (v/v) glycerol. The protein was analysed by SDS-Page.
2901	1	Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 20 uM ATP, 0.2 uCi [&gamma;-33P] ATP, 4 nM PI3K . Reactions were incubated for 210 min and terminated by the addition of 40 uL SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 uM ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer).
2902	1	Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
2903	1	The screening assay for Wnt activity	Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., colon cancer) or primary cells (e.g., IEC-6 intestinal cells) with a lentiviral construct that includes a Wnt-responsive promoter driving expression of the firefly luciferase gene.SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/mL of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 10-point dose-response curves starting from 10 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well white solid bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. For Sp5-Luc reporter gene assays, the cells were plated at 4,000 cells/well in 384-well plates with medium containing 1% fetal bovine serum and incubated overnight at 37° C. and 5% CO2. Following incubation, 20 &#956;l of BrightGlo luminescence reagent (Promega) was added to each well of the 384-well assay plates. The plates were placed on an orbital shaker for 2 min and then luminescence was quantified using the Envision (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for EC50 calculations using the dose-response log (inhibitor) vs. response-variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 (or Dotmatics).
2904	1	The screening assay for Wnt activity	SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/mL of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 10-point dose-response curves starting from 10 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well white solid bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. For Sp5-Luc reporter gene assays, the cells were plated at 4,000 cells/well in 384-well plates with medium containing 1% fetal bovine serum and incubated overnight at 37° C. and 5% CO2. Following incubation, 20 &#956;l of BrightGlo luminescence reagent (Promega) was added to each well of the 384-well assay plates. The plates were placed on an orbital shaker for 2 min and then luminescence was quantified using the Envision (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for EC50 calculations using the dose-response log (inhibitor) vs. response variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 (or Dotmatics).
2905	1	WNT Pathway Reporter Gene Assay	Materials and Methods: NIH3T3 mouse fibroblast cells (American Type Culture Collection, Manassas, Va.) were transfected with a plasmid containing a luciferase gene driven by 5 copies of TCF elements. Stale cells selected with 1 &#956;g/mL of Zeocin (Gibco/Invitrogen, Carlsbad, Calif.) are cultured in Dulbecco&#39;s modified Eagle&#39;s medium (Invitrogen, Carlsbad, Calif.) supplemented with 10% FBS (Invitrogen), 50 unit/mL penicillin and 50 &#956;g/mL of streptomycin (Invitrogen) at 37° C. with 5% CO2 in air atmosphere. Suspension HEK293 cells (ATCC) were transfected with a plasmid containing full-length human WNT-3a cDNA sequence driven by a CMV promoter, and stable cells were selected in FreeStyle 293 medium (Invitrogen) supplemented with 100 ug/mL G418.The NIH3T3 TCF-Luc cells and 293 WNT3a cells were co-cultured in a 96-well plate with DMEM medium supplemented with 0.5% FBS. After 16 hours, the firefly luciferase activities are measured with the Steady-Glo Luciferase Assay System (Promega). The cells were treated with different concentrations of compounds of this invention during the co-culture. The IC50s were defined as the concentration when the compounds reduce the luminescence intensity by 50%. To normalize for cell quantity and viability, CellTiter Glo assay is next performed in a duplicate plate.
2908	1	PDE2 Assay A	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein. The PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat# NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations). The measurements are done in Laboratory A.
2908	2	PDE2 Assay B	The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization (FP) methodology (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the following examples had activity in reference assays by exhibiting the ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) of about 50 &#956;M or below would be considered a PDE2 inhibitor as defined herein. The PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat# NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations). The measurements are done in Laboratory B.
2909	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for &#956; opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human &#956; opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. IC50 values were calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand) (Cheng and Prusoff, 1973).
2909	2	Functional Assay (GTPgammaS Binding)	The EC50 and Imax for &#956; opioid receptors was determined using a [35S]GTP&#947;S binding assay. This assay measures the functional properties of a compound by quantifying the level of G-protein activation following agonist binding in studies using stably transfected cells, and is considered to be a measure of the efficacy of a compound. Membranes from CHO (Chinese Hamster Ovary) cells that stably expressed the cloned human Mu opioid receptor were used in the experiments. Specifically, in a final volume of 0.5 mL, 12 different concentrations of each test compound were incubated with 7.5 &#956;g of CHO cell membranes that stably expressed the human &#956; opioid receptor. The assay buffer consisted of 50 mM Tris-HCl, pH 7.4, 3 mM MgCl2, 0.2 mM EGTA, 3 &#956;M GDP, and 100 mM NaCl. The final concentration of [35S]GTP&#947;S was 0.080 nM. Nonspecific binding was measured by inclusion of 10 &#956;M GTP&#947;S. Binding was initiated by the addition of the membranes. After an incubation of 60 min at 30° C., the samples were filtered through Schleicher & Schuell No. 32 glass fiber filters. The filters were washed three times with cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL of Ecoscint scintillation fluid. Data are the mean Emax and EC50 values±S.E.M. For calculation of the Emax values, the basal [35S]GTP&#947;S binding was set at 0%, and the 100% [35S]GTP&#947;S binding level was set at the maximum binding achieved with DAMGO. To determine antagonist activity of a compound at the &#956; opioid receptors, CHO membranes expressing the &#956; opioid receptor, were incubated with 12 different concentrations of the compound in the presence of 200 nM of the &#956; agonist DAMGO. The Emax values are the maximal percentage increase of [35S]GTP&#947;S binding induced by a test compound relative to basal [35S]GTP&#947;S binding in the absence of any drug. Data for antagonists are the mean Imax and IC50 values±S.E.M. The calculated EC50 and Imax values for the compounds tested are set forth in Table B, Table C, Table D, and Table E, herein. It should be noted that the GTP&#947;S binding assay described above is performed under conditions such that the observed Emax value for buprenorphine in this assay is at least 50% compared to baseline.
2910	1	HEK TLR7 Assay	HEK-Blue TLR7 cells were purchased from Invivogen (San Diego, Calif.). The following description was taken from the product information sheet."HEK-Blue hTLR7 cells are designed for studying the stimulation of human TLR7 (hTLR7) by monitoring the activation of NF-kB. HEK-Blue hTLR7 cells were obtained by co-transfection of the hTLR7 gene and an optimized secreted embryonic alkaline phosphatase (SEAP) reporter gene into HEK293 cells. The SEAP reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-kB and AP-1-binding sites. Stimulation with a TLR7 ligand activates NF-kB and AP-1 which induce the production of SEAP, which is detected by the HEK-Blue Detection cell culture medium."A typical assay protocol involved the following steps:1. Cells were cultured according to the product information sheet.2. 10 mM compound stock in DMSO were first diluted to 3 mM and then 3-fold serially diluted using DMSO to afford a 10-pt dilution.3. 3 &#956;l of the diluted DMSO were added to 57 &#956;l HEK-Blue Detection media for a further 20-fold dilution.4. 10 &#956;l of the diluted compound in assay media were added into 40 &#956;l cell culture (in HEK-Blue Detection media) in 384-well plate. Final cell concentration=8,000 cells per well.5. The plates were incubated at 37° C. in 5% CO2 for 16 h. SEAP was determined using a spectrophotometer at 620-655 nm.
2914	1	Fluorescence Assay A1 for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 50 &#956;l at 22° C. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.01% (v/v) Triton X-100; 100 &#956;M H-Gly-Arg-AMC and rhDPP1 ( 50 pM). Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically 10 &#956;M) was tested and the pIC50 determined using a 4-paramater logistic equation in a non-linear curve fitting routine. A standard DPP1 inhibitor, 4-amino-N-[(1S)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control in the assay. Routinely, inhibitors were pre-incubated with rhDPP1 for 30-60 min prior to the addition of the peptide substrate to start the reaction for a further 60 min at 22° C. After that the plates were immediately read in a fluorescence plate reader using the above emission and excitation wavelengths [modified from Kam, CM, Gotz, MG, Koot, G, McGuire, M J, Thiele, D L, Hudig, D & Powers, J C (2004). Arch Biochem Biophys, 427, 123-134 & McGuire, M J, Lipsky, P E & Thiele, D L (1992). Arch Biochem Biophys, 295, 280-288].
2914	2	Fluorescence Assay A2 for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1 Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC50 were determined using a 4-paramater logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener ). A standard DPP1 inhibitor, 4-amino-N-[(1S)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control and 1% (v/v) DMSO was used as a negative control in the assay. [modified from Kam, C M, Gotz, M G, Koot, G, McGuire, M J, Thiele, D L, Hudig, D & Powers, J C (2004). Arch Biochem Biophys, 427, 123-134 & McGuire, M J, Lipsky, P E & Thiele, D L (1992). Arch Biochem Biophys, 295, 280-288].
2915	1	The screening assay for Wnt activity	The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., colon cancer) or primary cells (e.g., IEC-6 intestinal cells) with a lentiviral construct that includes a Wnt-responsive promoter driving expression of the firefly luciferase gene.SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/mL of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 10-point dose-response curves starting from 10 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well white solid bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. For Sp5-Luc reporter gene assays, the cells were plated at 4,000 cells/well in 384-well plates with a DMEM medium containing 1% fetal bovine serum, and 1% Penicillin-Streptomycin and incubated for 36 to 48 hours at 37° C. and 5% CO2. Following incubation, 15 &#956;l of BriteLite Plus luminescence reagent (Perkin Elmer) was added to each well of the 384-well assay plates. The plates were placed on an orbital shaker for 2 min and then luminescence was quantified using the Envision (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for EC50 calculations using the dose-response log (inhibitor) vs. response variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 (or Dotmatics).
2915	2	The screening assay for DYRK1A kinase activity 	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.00016 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) was calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation was then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))]. Dose-response curves were generated and inhibitory concentration (IC50) values were calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
2915	3	The screening for GSK3beta kinase activity	Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.0003 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning). The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission. Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions. After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer). The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))]. Dose-response curves are generated and inhibitory concentration (IC50) values are calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
2920	1	Protein Kinase Assays	In some experiments, inhibitory activities of the compounds described herein against select protein kinases were determined as IC50 values (e.g., IC50 values in Table 3) using methods known in the art (e.g., the method developed by Invitrogen Technology).
2927	1	SSAO/VAP-1 In Vitro Activity	Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo assay kit from Promega (V1402). Test compounds (with DMSO as vehicle, 0.5% v/v for SSAO) and the enzyme are incubated for 10 mins at room temperature before the addition of the luminogenic substrate. The substrate concentration is 10 &#956;M for human recombinant SSAO. The assays are conducted in a pH 7.4 buffer (50 mM HEPES, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1.4 mM MgCl2, 0.001% Tween-20) in a well-plate. Oxidation of the substrate is conducted for 2 hrs before the addition of detecting reagent according the manufacture&#39;s protocol. The IC50 value of the tested compounds is calculated by fitting the dose response curve using a 4-parameter non-linear regression routine. 
2929	1	Biological Assay for RORgammaT Activity	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 mg/ml bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per ml in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 ml SF9 lysate per 15 ml of diluted ROR&#947;-LBD.Compounds to be tested were injected to the 384-well assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, CA).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-SPSSHSSLTERHKILHRLLQEGSP) (SEQ ID NO: 1) and APC-conjugated streptavidin (final concentrations 100 nM and 8 nM respectively) were also added to each well.The final assay mixture was incubated overnight at 4° C., warmed to room temperature and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 tis, integration time=200 tis). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
2933	1	Lipoxygenase UV-Vis Assay	The inhibitor compounds were screened initially using one concentration point on a Perkin-Elmer Lambda 40 UV-Vis spectrometer. The percent inhibition was determined by comparing the enzyme rates of the control (DMSO solvent) and the inhibitor sample by following the formation of the conjugated diene product at 234 nm (&#949;=25,000 M&#8722;1 cm&#8722;1). The reactions were initiated by adding either of 40 nM 12-LOX, 40 nM 12/15-LOX, 0.5 &#956;M 15-LOX-2 or 200 nM 5-LOX (ammonium sulfate suspension) to a cuvette with a 2 mL reaction buffer constantly stirred using a magnetic stir bar at room temperature (22° C.). It should be noted that LOX isozymes are often expressed in the inactive demetallated form, so it is best to utilize activity to determine the optimal LOX concentration for the assay (optimal rate of approximately 0.001 abs/sec at 10 &#956;M AA). Reaction buffers used for various lipoxygenase were as follows-25 mM HEPES (pH 7.3), 0.3 mM CaCl2, 0.1 mM EDTA, 0.2 mM ATP, 0.01% Triton X-100, 10 &#956;M AA for the crude, ammonium sulfate precipitated 5-LOX; 25 mM Hepes (pH 8), 0.01% Triton X-100, 10 &#956;M AA for 12-LOX and 25 mM Hepes buffer (pH 7.5), 0.01% Triton X-100, 10 &#956;M AA for 12/15-LOX and 15-LOX-2. The substrate concentration was quantitatively determined by allowing the enzymatic reaction to go to completion in the presence of 15-LOX-2. For the inhibitors that showed more than 50% inhibition at the one point screens (25 &#956;M inhibitor), IC50 values were obtained by determining the enzymatic rate at various inhibitor concentrations and plotted against inhibitor concentration (Approximate range: 0.1 to 25 &#956;M inhibitor), followed by a hyperbolic saturation curve fit (assuming total enzyme concentration [E]<<Ki app, so IC50 Ki app). It should be noted that all of the potent inhibitors displayed greater than 80% maximal inhibition, unless stated in the tables. Inhibitors were stored at &#8722;20° C. in DMSO.
13194	1	HAT Activity Inhibition Experiment	The HAT activity inhibitory ability of HAT inhibitors was evaluated using SensoLyte HAT(p300) Assay Kit (ANASPEC, AS-72172). Specifically, 7.5 μL of the compound of Examples 1 to diluted with assay buffer was added to 7.5 μL of recombinant p300 solution diluted 10 times with assay buffer, and the mixture was incubated at room temperature for 10 minutes. 7.5 μL of acetyl CoA solution diluted 10 times with assay buffer and 15 μL of histone H3 peptide diluted 10 times with assay buffer were added thereto, and the mixture was incubated at 37° C. for 30 minutes. 37.5 μL of Stop Solution was added to stop the reaction. 75 μL of p300 Developer solution diluted 50 times with assay buffer was added, and the mixture was incubated at room temperature for 30 minutes under light-shielded conditions. The fluorescence at 513 nm when irradiated with 389 nm excitation light was measured using a multiplate reader. Based on the measured fluorescence intensity, the IC50 value, which corresponds to the concentration of the compound that shows 50% inhibition of the enzyme reaction, was calculated.
13195	1	HTRF-Based Nucleotide Exchange Assay Detecting GTP Binding to K-Ras	A HTRF-based nucleotide exchange assay is used to characterize the pharmacological properties of the synthesized inhibitor compounds and the IC50 measurement is performed as described below. Kras G12D was mixed with a-GST Tb antibody (1.5× solution) and 10 uL was delivered to reaction wells. A mixture of Kras G12D/aGST-Tb Ab/compound mixture was incubated for 1 h at RT. A 3× solution of SOS1 (aa 564-1049) and fluorescently labelled GTP* was prepared in reaction buffer and 5 μL of SOS1/GTP* solution was added to reaction well to initiate the exchange reaction. An IC50 was determined using a sigmoidal dose response (variable slope) equation.
13196	1	Effect of Compounds on PDE4B2 Activity Assay	The effect of compounds on PDE4B2 activity was detected using a fluorescence polarization kit (BPS Bioscience, Catalog #60343). According to the instructions of the kit, FAM-Cyclic-3′,5′-AMP at a final concentration of 0.1 M, 1 ng/well of PDE4B2 (for a negative control, a PDE buffer was added), and gradient-diluted compounds (for a positive control well, a PDE buffer containing 10% of DMSO was added) were added to each well, fully mixed, and then reacted at room temperature for 1 h. The Binding Agent was diluted with the Binding Agent Diluent (cAMP) at a ratio of 1:100 for later use, the Binding Agent dilution was taken and added to the test plate at 50 μl/well and incubated at room temperature with slow shaking for 20 minutes. After the incubation was complete, Envision was used for FP detection, with Excitation at 480 nm and Emission at 535 nm.
13196	2	Effect of Compounds on PDE4B1 Activity Assay	The effect of compounds on PDE4B1 activity was detected using a fluorescence polarization kit (IMAP FP IPP Explorer KIT, Molecular Device, Cat #R8124). The IMAP Reaction Buffer containing 0.1% BSA (5×) in the kit was diluted into a 1-fold reaction buffer containing 1 mM DTT. 0.12 nM PDE4B1 (BPS, Cat #60041) was added to the 1-fold reaction buffer to form a 2-fold enzyme solution. 10 μL of the 2-fold enzyme solution was added to wells of a 384-well reaction plate. For the negative control well, 10 μL of the 1-fold reaction buffer was used instead of the enzyme solution. Centrifugation at 1000 rpm for 1 minute and incubation at room temperature for 15 minutes were carried out. 0.2 uM FAM-labeled cAMP (FAM-cAMP, Molecular Device, Cat #R7506) was added to the 1-fold reaction buffer to form a 2-fold substrate solution. 10 μL of the 2-fold substrate solution was added to each well of the 384-well reaction plate. Centrifugation at 1000 rpm for 1 minute was carried out. A reaction was carried out at room temperature for 20 minutes. IMAP Progressive Binding Buffer A (5×), IMAP Progressive Binding Buffer B (5×), and IMAP Progressive Binding Reagent (provided by IMAP FP IPP Explorer Kit) were prepared into a reaction stop solution according to the instructions for use. 60 μL of an 80/60-fold reaction stop solution was added to each well of the 384-well reaction plate to stop the reaction, and the reaction product was centrifuged at 1000 rpm for 1 minute. Incubation at room temperature in the dark for 60 minutes was carried out. The mP values (Ex480/Em535 (s), Em535 (p)) were read by a microplate reader (Envision).
13196	3	Effect of Compounds on PDE4D2 Activity Assay	The effect of compounds on PDE4D2 activity was detected using a fluorescence polarization kit (BPS Bioscience, Catalog #60345). During the reaction, 12.5 μL of 0.272 ng/well of an enzyme (final concentration: 0.068 ng/well) and 12.5 μL of the compound diluted in a gradient manner (DMSO concentration: 4%) were first pre-incubated at room temperature for 15 minutes, the same volume of the enzyme at the same concentration and 12.5 μL of PDE buffer containing 4% DMSO were added to the positive control well, and 25 μL of PDE buffer containing 2% DMSO was added to the negative control well. After completion, 25 μL of 0.2 M FAM-Cyclic-3′,5′-AMP (final concentration: 0.1 μM) was added to each well, fully mixed, and then incubated at room temperature with slow shaking for 30 minutes. The Binding Agent was diluted with the Binding Agent Diluent (cAMP) at a ratio of 1:100 for later use, the Binding Agent dilution was taken and added to all the wells of the test plate at 100 μl/well and incubated at room temperature with slow shaking for 1 hour. After the incubation was complete, BMG LRBTECH microplate reader was used for FP detection, with Excitation at 485 nm and Emission at 520 nm.
2943	1	Serum Binding Analysis	In order to more properly assess the binding efficacy of the compounds, radioligand binding assays were carried out in the presence of 100% human serum to more accurately reflect the in vivo environment. While observed IC50 values are typically lower than those reported for buffer binding assays, the relevance of the assay for ranking of compound efficacy is enhanced. Target compounds were tested to determine their ability to bind with CXCR7 sites on MCF-7 and/or MDA-MB-435S CXCR7 transfected cells. Efficiency-maxim/zed radioligand binding using filtration protocols as described in Dairaghi D J, et al., HHV8-encoded vMIP-I selectively engages chemokine receptor CCR5. Agonist and antagonist profiles of viral chemokines., J. Biol. Chem. 1999 Jul. 30; 274(31): 21569-74 and Gosling J, et al., Cutting edge: identification of a novel chemokine receptor that binds dendritic cell- and T cell-active chemokines including ELC, SLC, and TECK, J. Immunol. 2000 Mar. 15; 164(6):2851-6 was used.In these assays, MCF-7 and/or MDA-MB-435S cells were interrogated with the target compounds and the ability of these compounds to displace 125 I radiolabeled SDF-1 was assessed using the protocol described in Dairaghi and Gosling. The target compounds were added to the plate to the indicated concentration followed by addition of cells and radiolabeled chemokine (125I SDF-1), both in the following medium (human AB serum with 10 mM HEPES added to stabilize at pH 7.4). All assays were then incubated for 3 hrs at 4° C. with gentle agitation. Following incubation in all binding assays, reactions were aspirated onto PEI-treated GF/B glass filters (Packard) using a cell harvester (Packard) and washed twice (25 mM HEPES, 500 mM NaCl, 1 mM CaCl2, 5 mM MgCl2, adjusted to pH 7.1). Scintillant (MicroScint 10, Packard) was added to the wells, and the filters were counted in a Packard Topcount scintillation counter. Data were analyzed and plotted using GraphPad Prism (GraphPad Software).
2943	2	Buffer Binding Analysis	Target compounds can be tested to determine their ability to bind with CXCR7 sites on MCF-7 and/or MDA-MB-435S CXCR7 transfected cells. Efficiency-maxim/zed radioligand binding using filtration protocols as described in Dairaghi D J, et al., HHV8-encoded vMIP-I selectively engages chemokine receptor CCR5. Agonist and antagonist profiles of viral chemokines., J. Biol. Chem. 1999 Jul. 30; 274(31): 21569-74 and Gosling J. et al., Cutting edge: identification of a novel chemokine receptor that binds dendritic cell-and T cell-active chemokines including ELC. SLC, and TECK., J. Immunol. 2000 Mar. 15; 164(6):2851-6 was used.In these assays, MCF-7 and/or MDA-MB-435S cells are interrogated with the target compounds and the ability of these compounds to displace 125I radiolabeled SDF-1 assessed using the protocol described in Dairaghi and Gosling. The target compounds are added to the plate to the indicated concentration and were then incubated with cells followed by the addition of radiolabeled chemokine (125I SDF-1) for 3 hr at 4° C. in the following binding medium (25 mM HEPES, 140 mM NaCl, 1 mM CaCl2, 5 mM MgCl2 and 0.2% bovine serum albumin, adjusted to pH 7.1). All assays are then incubated for 3 hrs at 4° C. with gentle agitation. Following incubation in all binding assays, reactions are aspirated onto PEI-treated GF/B glass filters (Packard) using a cell harvester (Packard) and washed twice (25 mM HEPES, 500 mM NaCl, 1 mM CaCl2, 5 mM MgCl2, adjusted to pH 7.1). Scintillant (MicroScint 10, Packard) is added to the wells, and the filters counted in a Packard Topcount scintillation counter. Data are analyzed and plotted using GraphPad Prism (GraphPad Software).
2946	1	PDE2 Inhibition Assay	In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat#NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations).
2947	1	Biological Assay	Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule prode (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
2948	1	P70S6K Enzyme Assay	P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the compound plate to initiate the enzyme reaction; P70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analysed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700 respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms.
2948	2	AKT Enzyme Assay	A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction components were added to a final volume of 12.5 &#956;l:0.1 ng/&#956;l His-AKT (Full Length), (Invitrogen, Part # P2999, Lot #641228C).160 uM ATP (Fluka, 02055)1 mM DTT (Sigma, D0632)1 mM MgCl2 (Sigma, M1028)1 &#956;M substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2),synthesized by Tufts Peptide Synthesis service.100 mM HEPES pH 7.5 (Calbiochem, 391338)0.015% Brij-35 (Sigma, B4184)The reaction was incubated for 90 min at 25° C., and then stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)).The plate was read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure &#8722;2.3 psi, upstream voltage &#8722;500, and downstream voltage &#8722;3000. These conditions caused unphosphorylated substrate and phosphorylated product peptide to resolve as separate peaks allowing direct measurement of percentage of conversion of substrate to product. The percent conversion was plotted against concentration of inhibitor to produce a sigmoidal dose response curve, from which an IC50 was calculated.
2951	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) was recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
2952	1	Measurement of Orexin Type 2 Receptor Agonist Activity	Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate (384 wells) (Becton, Dickinson and Company) by 10,000 cells, and cultured for 16 hr in an MEM-alpha (Nikken-Bio Co., Ltd.) medium containing 100 U/ml penicillin, 100 &#956;g/ml streptomycin, 0.5 g/ml G418 (all above Invitrogen), and 10% fetal calf serum (Thermo), under the conditions of 37° C., 5% CO2. After removal of the medium, 30 &#956;L of assay buffer 1 (0.1% bovine serum albumin (Wako Pure Chemical Industries, Ltd.), 1.25 mM probenecid, 10% B2-Quencher, 2.5 &#956;g/mL Fluo-4AM, 10 mM HEPES (DOJINDO)) was added, and the cells were incubated for 60 min under the conditions of 37° C., 5% CO2. A test compound was dissolved in dimethyl sulfoxide to 10 mM, and then diluted with assay buffer 2 (20 mM HEPES, Hanks&#39; balanced salt solution (Invitrogen), 0.1% bovine serum albumin). For the reaction, a test compound solution (10 &#956;L) was added using Fluorescent Imaging Plate Reader TETRA (FLIPR TETRA; manufactured by Molecular Devices), a fluorescence value (excitation wavelength 488 nm, measurement wavelength 570 nm) of each well was measured every one second for 1 min, and the agonist activity was determined using the area of the fluorescence value as an indicator of intracellular Ca2+ concentration. The agonist activity of the test compound was calculated assuming that the fluorescence value of the well added with only the dilution buffer was 0% and the fluorescence value of the well added with 10 nM human orexin B (PEPTIDE INSTITUTE, INC.) buffer was 100%. The agonist activity values EC50 and Emax of each compound are shown below. As used herein, Emax indicates the value at 30 uM concentration when orexin B is converted to a full agonist (maximum value of agonist activity: 100%). As is clear from the results, the compound of the present invention was shown to have an agonist activity on hOX2R.
2894	1	Enzyme Assay	Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 &#956;l portion of assay buffer was added to the wells of a 384 clear base black-walled plate (Corning), 5 &#956;l of diluted compound was then added via automated plate to plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 &#956;l of human DAAO enzyme and then 5 &#956;l D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 &#956;l Amplex red reagent (Invitrogen) was added to all wells as per manufacturer&#39;s protocol. The plate was incubated for 60 minutes in the dark at 25° C. and the fluorescence in each well was measured in the Envision plate reader.
2934	1	PHD1 Enzyme Assay	The IC50 values for the PHD1 enzyme (residues 1-407) were determined by mixing increasing amounts of a compound of the invention with a fixed amount of the enzyme (20 nM final concentration) and peptide substrate (Asp-Leu-Asp-Leu-Glu-Ala-Leu-Ala-Pro-Tyr-Ile-Pro-Ala-Asp-Asp-Asp-Phe-Gln-Leu, 1 &#956;M final concentration) and 2-oxoglutarate (0.5 M final concentration) in an assay buffer comprising 30 mM 2-(N-morpholino)ethanesulfonic acid pH 6.0, 2 mM sodium ascorbate, 100 &#956;M dithiothreitol, 2 mg/ml bovine serum albumin, 60 &#956;g/ml catalase enzyme and 1 &#956;M iron (II) sulphate (FeSO4). The reaction was conducted by pre-incubating the PHD1 enzyme in the presence of a compound of the invention for 60 minutes at room temperature. The activity of the free enzyme was measured by adding the peptide, the 2-oxoglutarate and sodium ascorbate (see above for final concentrations). The assay was quenched by the addition of 30% v/v trichloroacetic acid (final concentration 5%). The amount of product released was measured using a UPLC-MS (Agilent 1290 with an ABSciex 4000qTrap Mass Spectrometer). Data were analysed using the classical isotherm equation for the determination of IC50.
2955	1	GPR120 pERK assay	For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containing 50 mL growth medium. The flasks were placed in a tissue culture incubator overnight (37° C., 5% CO2). The next day, cells were harvested with trypsin (Gibco Cat. #25300-054), resuspended in serum-containing growth medium and counted using a Cellometer and volume adjusted to a concentration of 0.5×106 cells/mL. Cells were plated into 384-well clear bottom tissue culture plates (BD Cat. #353962) at 50 &#956;L/well, for a density of 25,000 cells/well using a MULTIDROP and incubated for 16-18 hours (overnight) at 37° C. with 5% CO2. The next day, cells were washed once with 50 &#956;L of PBS without Ca++/Mg++ (Gibco Cat. #14190-036) and serum starved in 25 &#956;L of F-12 media without any serum or antibiotics for 2 hours at 37° C.Test compounds were 3-fold, 11-point serially diluted in DMSO in a REMP assay plate (Matrix Cat. #4307) by Tecan and 5 &#956;L was transferred into an ECHO source plate (Labcyte Cat. #LC-0200). Cells were then stimulated with 40 nL of compound dilutions using ECHO liquid handler for 7 min at 37° C. Compounds ranged from final assay concentrations of 32 &#956;M to 0.54 nM.The media was then dumped and cells lysed with 20 &#956;L of 1× Lysis buffer from the AlphaScreen SureFire Phospho-ERK 1/2 Kit (Perkin Elmer Cat. #6760617M). The lysis buffer was diluted 5-fold with water before use. The plate was agitated on a shaker for 10 min after which 2 &#956;L was transferred into a 384-well white proxiplate (Perkin Elmer Cat. #6008289). The SureFire assay reagent mix was prepared by mixing 60 parts Reaction Buffer, 10 parts Activation Buffer, 1 part Donor Beads, 1 part Acceptor Beads (Perkin Elmer Cat. #TGRES10K). 3.5 &#956;L/well of this reagent mix was manually added to the proxiplate with a multichannel pipettor. Plates were spun down at 1000 rpm for 2 min, followed by light-protected incubation at room temperature for 2 hours. The plates were read on the Alpha-technology compatible Envision multilabel plate reader using AlphaScreen protocol according to manufacturer&#39;s specifications. The agonist effect of compounds was expressed as 100×(average sample-average blank)/(average total-average blank) where sample is the luminescence activity in the presence of test compound, blank is equal to the luminescence activity in the presence of DMSO control and the total is signal induced by 50 &#956;M linolenic acid as reference compound.Activation data for the test compound over a range of concentrations was plotted as percentage activation of the test compound (100%=maximum response). After correcting for background, EC50 values were determined. The EC50 is defined as the concentration of test compound which produces 50% of the maximal response and was quantified using the 4 parameter logistic equation to fit the data.
2960	1	Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at room temperature to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at room temperature for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at room temperature. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at room temperature for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
2961	2	Recombinant Enzyme Assay	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH. Enzyme solution was prepared (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 10 ppm antifoam, 4 units/ml GDH, 4 mM adenosine diphosphate, and 4 nM GAC) and 50 &#956;L added to a 96-well half area clear plate (Corning #3695). Compound (2 &#956;L) was added to give a final DMSO concentration of 2% at 2× the desired concentration of compound. The enzyme/compound mix was sealed with sealing foil (USA Scientific) and allowed to incubate, with mild agitation, for 60 minutes at 20° C. Enzymatic reaction was started with the addition of 50 &#956;L of substrate solution (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 20 mM L-glutamine, 2 mM NAD+, and 10 ppm antifoam) and read in a Molecular Devices M5 plate reader at 20° C. The plate reader was configured to read absorbance (&#955;=340 nm) in kinetic mode for 15 minutes. Data was recorded as milli-absorbance units per minute and slopes were compared to a control compound and a DMSO-only control on the same plate. Compounds with slopes less than the DMSO control were considered inhibitors and plate variability was assessed using the control compound.
2962	1	In Vitro Assay	Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) is used. The IC50 is measured by adding dropwise the assay buffer of 50 &#956;L human Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 8.36 nM) or 50 &#956;L rat Factor Xa (Enzyme Research Laboratories, Inc; the final concentration of 57.5 nM) to the appropriate wells of a Greiner 384 microtiter plate. 2 &#956;L the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested is diluted in the assay buffer containing 2% (V/V) DMSO, and add the assay buffer of 48 &#956;L substrate S-2222 (Chromogenix; chemical formula: Bz-Ile-Glu(&#947;-OR)-Gly-Arg-pNA.HCl R&#9552;H (50%) and R&#9552;CH3 (50%)), the final concentration is 0.172 mM. The assay is performed by pre-incubating the tested compounds with enzyme for 10 min, and then the assay is initiated by adding substrate S-2222 to obtain a final volume of 100 &#956;L.
2962	2	In Vitro Assay	Thrombin: In the assay for measuring the inhibition of human thrombin activity buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2) is used. The IC50 is measured by selecting the appropriate wells of a Greiner 384 microtiter plate. 50 &#956;L the assay buffer containing human thrombin (Sigma; T8885), of which the final concentration is 0.05 NIH units/ml; 2 &#956;L the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested diluted in the assay buffer containing 2% (V/V) DMSO; and add 48 &#956;L the assay buffer containing substrate S-2238 (Chromogenix; Chemical Formula: H-D-Phe-Pip-Arg-pNA*2HCl), the final concentration is 30 &#956;M. The assay is performed by pre-incubating the tested compounds with enzyme for 10 minutes. Then the assay is initiated by adding substrate to obtain a final volume of 100 &#956;L.
2962	3	In Vitro Assay	Trypsin: In the assay for measuring the inhibition of human trypsin activity buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2) is used. The IC50 is measured by selecting the appropriate wells of a Greiner 384 microtiter plate. 50 &#956;L the assay buffer containing human trypsin (Sigma; T6424), of which the final concentration is 0.39 BAEE units/ml; 2 &#956;L the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested diluted in the assay buffer containing 2% (V/V) DMSO; and the assay buffer containing substrate S-2222 (Chromogenix). The assay is performed by pre-incubating the tested compounds with enzyme for 10 minutes. Then the assay is initiated by adding 48 &#956;L substrate to obtain a final volume of 100 &#956;L.
2962	4	In Vitro Assay	Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 &#956;L human factor Xa is incubated in 10 mM HEPES buffer, pH 7.4, 2 mM CaCl2, the final concentration is 0.5 nM, and add 12.5 &#956;L human platelets (1×107 mL&#8722;1) for 10 minutes at 37° C. The reaction is initiated by adding 25 &#956;L prothrombin, the final concentration is 0.5 &#956;M and 2 &#956;L the assay buffer containing 2% (V/V) DMSO (uninhibited control) or various concentrations of the compounds to be tested diluted in the assay buffer containing 2% (V/V) DMSO. After 20 minutes, thrombin activity is measured by adding 48 &#956;L substrate of S-2238 (Chromogenix) at the final concentration is 50 &#956;M.
2963	1	FLIPR Assay	The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined without undue experimentation by methodology well known in the art, including the FLIPR Ca2+ Flux Assay. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined.
2966	1	Kinase Assay 	ALK-5 kinase assay methods have been described in the art (see e.g., Laping et al. (2002) Mol. Pharmacol. 2002; 62: 58-62). The compounds named in the specified Examples were tested as follows for inhibition of ALK-5 autophosphorylation activity and of the ALK-5 phosphorylation of &#945;-Casein.Materials: Buffer. 50 mM HEPES, pH 7.6, with 10 mM NaCl, 10 mM MgCl2, and 1 mM DTT. GST-ALK-5 protein 0.44 mg/ml (roughly 7 &#956;M stock). A 1:350 dilution gives a 20 nM stock, which translates to 2 nM final in assay. Human ALK-5 was expressed in Sf9 insect cells infected with Baculovirus expressing a ALK-5 truncation sequence (amino acids H149-M503), fused at the N-terminus to Glutathione S-transferase GST, in a pFastBac vector (Invitrogen). The cells were disrupted by sonication at 4° C. The lysate was centrifuged at 40,000×g for 45 minutes, and the supernatant applied to a 10 ml column of Glutathione Sepharose 4 Fast Flow (Amersham Bioscienses) equilibrated with 100 mM Tris-HCl pH 7.6 buffer containing 300 mM NaCl, 10% glycerol, 1% NP40, 2 mM dithiothreitol (DTT) and one Protease Inhibitor complete EDTA-free tablet per 50 ml (Roche). The column was washed with 5 column volumes of 50 mM Tris HCl pH 8.0 containing 150 mN NaCl, 10% glycerol, 2 mM DTT and one Protease Inhibitor complete EDTA-free tablet per 100 ml. The column was eluted with wash buffer containing 8 mM reduced glutathione. Fractions were collected and dialyzed overnight in 20 mM Tris HCl pH 8.0 containing 10% glycerol, 150 mM NaCl, 2 mM DTT and 1 mM 4-(2-aminoethyl)-bezenesulfonylfluoride.HCl (AEBSF) (Sigma) at 4° C. &#945;-Casein (Sigma, #C8032) is made up at 2 mM in Buffer (50 mg/ml). Cold ATP contains 10 &#956;M cold ATP (from a 10 mM stock in Buffer). Hot ATP consists of 0.5 &#956;Ci/well &#9633;-33P-ATP (Amersham, AH9968) in Buffer. Assay Buffer Per 10 ml Buffer 1 ml of 500 mM HEPES (pH 7.6) 20 &#956;l of 5 M NaCl 100 &#956;l of 1 M MgCl2 10 &#956;l of 1 M DTT (dithiothreitol) Assay Method:In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 &#956;l Assay Buffer is added to reach well. Add 10 &#956;l of Cold ATP mix in Assay Buffer, then 10 &#956;l of a 1:10 dilution of &#945;-Casein stock. Then add 2 &#956;l of compound being tested (DMSO) at a 50× final concentration. Hot ATP mix (10 &#956;l) is added, and the reaction is started with the addition of 10 &#956;l of a 1:350 dilution of the ALK-5 protein (2 nM final) in Assay Buffer with 0.05% BSA (Bovine Serum Albumin). The reaction is mixed for 5 minutes at room temperature, and then continued for 145 minutes at room temperature. The reaction is then stopped with the addition of 100 &#956;l of ice-cold 20% TCA (trichloroacetic acid). The assay is then incubated for at least 1 hour at 4° C., and then the contents of each well are filtered by suction through the filter. The wells are washed three times with 200 &#956;l ice-cold 10% TCA. The plate bottom is blotted before and after removing plastic sub-base, and dried overnight at room temperature. Add 30 &#956;l of scintillation fluid, and count 1 minute per well on a Wallac Tri-Lux scintillation counter.
2968	1	Biochemical Assay	Please see article
2970	1	Kinase Assay	JAK1:Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 h at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (according to the need to make, for example, 5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #1-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at room temperature with shaking. Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac).JAK1: JAK1 (h) is incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 &#956;M GEEPLYWSFPAKKK, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2970	2	Kinase Assay	Aurora-A:Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 h at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (according to the need to make, for example, 5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #1-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at room temperature with shaking. Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac).Aurora-A: Aurora-A (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 200 &#956;M LRRASLG (Kemptide), 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2970	3	Kinase Assay	JAK2:Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 h at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (according to the need to make, for example, 5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #1-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at room temperature with shaking. Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac).JAK2: JAK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2970	4	Kinase Assay	Aurora-B:Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 h at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (according to the need to make, for example, 5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #1-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at room temperature with shaking. Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac). Aurora-B (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 &#956;M AKRRRLSSLRA, 10 mM MgAcetate and [&#947;-33PATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of a 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2970	5	Kinase Assay	FLT3:Kinase assays can be performed by measurement of incorporation of &#947;-33P ATP into immobilized myelin basic protein (MBP). High binding white 384 well plates (Greiner) are coated with MBP (Sigma #M-1891) by incubation of 60 &#956;L/well of 20 &#956;g/mL MBP in Tris-buffered saline (TBS; 50 mM Tris pH 8.0, 138 mM NaCl, 2.7 mM KCl) for 24 h at 4° C. Plates are washed 3× with 100 &#956;L TBS. Kinase reactions are carried out in a total volume of 34 &#956;L in kinase buffer (according to the need to make, for example, 5 mM Hepes pH 7.6, 15 mM NaCl, 0.01% bovine gamma globulin (Sigma #1-5506), 10 mM MgCl2, 1 mM DTT, 0.02% TritonX-100). Compound dilutions are performed in DMSO and added to assay wells to a final DMSO concentration of 1%. Each data point is measured in duplicate, and at least two duplicate assays are performed for each individual compound determination. Enzyme is added to final concentrations of 10 nM or 20 nM, for example. A mixture of unlabeled ATP and &#947;-33P ATP is added to start the reaction (2×106 cpm of &#947;-33P ATP per well (3000 Ci/mmole) and 10 &#956;M unlabeled ATP, typically. The reactions are carried out for 1 h at room temperature with shaking. Plates are washed 7× with TBS, followed by the addition of 50 &#956;L/well scintillation fluid (Wallac).FLT3: FLT3 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 50 &#956;LM EAIYAAPFAKKK, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
2973	1	Kinase Inhibitory Activity	Assays are derived from other literature.
2976	1	Inhibition Assay	A study on inhibition of protein kinases activity at in vitro biochemical levelMaterial and method: kinases such as c-Met, VEGFR-2, Axl and RET, obtained from Invitrogen; HTRF KinEASE; TK kit (Cisbio Company); 384-well plate (Greiner Company); ATP (Sigma Company), MgCl2 (Sigma Company); PHERAstar FS multifunctional plate reader (BMG Company); conventional centrifuge (StaiteXiangyi Company); incubator (Binder Company). Dilution and storage of compounds: depending on solubility, the test compounds are prepared as stock solutions of 0.5-10 mmol/L with dimethyl sulphoxide (DMSO), and aliquots of the stock are stored at &#8722;20° C.;Preparation of working solution of the compounds: Before test, aliquots of the compounds are removed from the refrigerator, and diluted with pure DMSO to 50× of the level needed; and then the compounds are diluted with deionized water to 4× of the level needed;Preparation of 1.33× enzymatic buffer: 5× enzymatic buffer (from HTRF kit) is diluted to 1.33× with deionized water, and appropriate components of the final level 1.33× are added: 1.33 mmol/L dithiothreitol (DTT) and 1.33 mmol/L MgCl2;Preparation of kinase working solution: Met is diluted to 2× final level required, 0.2 ng/&#956;L, with 1.33× enzymatic buffer;Preparation of substrate working solution: the substrate labeled with biotin (from HTRF kit) and ATP (10 mM) are diluted with 1.33× enzymatic buffer to prepare a mixture at 4× of the final level required;Preparation of the testing working solution: Streptavidin-XL665, 16.67 &#956;mol/L is diluted with HTRF test buffer to 4× of the final level required, and then mixed with antibody-Cryptate of the same volume (both from the HTRF kit).Enzymatic reaction step: 4 &#956;l of kinase working solution is added to each well of the low volume 384-well plate. Meanwhile, 4 &#956;L 1.33× enzymatic buffer is added as the negative control. 2 &#956;L compound working solution is added into each well, and 2 &#956;L 8% DMSO in water is added as zero compound level control (i.e., positive control). At 25° C. (or 30 C), incubate for 5-10 min; add 2 &#956;L substrate working solution into each well to initiate the enzymatic reaction. Allow to react while shaking at 25° C. (or 30° C.) for 15-60 min.
2961	1	Recombinant Enzyme Assay	No preinc (Column 4).
2981	1	RET Kinase Enzymatic Assay	Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a baculovirus expression system. GST-RET was purified using glutathione sepharose chromatography. The RET kinase enzymatic assay was performed in a total volume of 10 uL with increasing concentrations of RET kinase inhibitor as a singlet in a 384 well format as follows: RET inhibitor compound plates are prepared by adding 100 nL of RET inhibitor at different concentrations to a 384-well plate. 5 &#956;L/well of a 2× enzyme mix (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid); 1 mM CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate); 0.1 mg/mL BSA (bovine serum albumin); 1 mM DTT (dithiothreitol); 0.2 nM RET kinase) was added to the 384-well plate and incubated for 30 minutes at 23° C. 5 &#956;L/well of a 2× substrate mix (50 mM HEPES; 1 mM CHAPS; 0.1 mg/mL BSA; 20 &#956;M adenosine triphosphate; 20 mM MgCl2 and 1 &#956;M biotinylated peptide substrate) was added and incubated for 1 hour at 23° C. 10 &#956;L/well of 2× stop/detection mix (50 mM HEPES; 0.1% BSA; 800 mM Potassium Fluoride; 50 mM EDTA (Ethylenediaminetetraacetic acid); 200× dilution of Europium Cryptate labeled anti-phosphotyrosine antibody; 62.5 nM Streptavidin-XL665) incubated for 1 hour at 23° C. and read on a Homogenous Time-Resolved Fluorescence reader. IC50s were fitted using GraphPad Prism to a sigmoidal dose response.
2982	1	Inhibition of IL-2 secretion	Jurkat T cells were seeded at a density of 0.5 to 1 million cells per well in RPMI medium. Test compounds from this invention were added to the cells at different concentrations. This was followed by the addition of PHA, a T cell mitogen after 10 minutes.The cells were then incubated for 20 to 24 hours in a CO2 incubator at 37° C. After incubation with the compounds, cells were centrifuged, collected the supernatant and processed for ELISA to quantitate the amount of IL-2 secreted. A commercial ELISA kit (R&D Systems, Inc. Minneapolis, Minn., USA) was used to estimate the IL-2 concentrations. Amount of IL-2 secreted by cells stimulated with PHA was considered as a 100% maximal signal and the decrease in amount of IL-2 secreted by cells treated with the test compounds was expressed as percent inhibition of the maximal signal. The dose response data was analyzed using 4-parametric sigmoidal dose response (variable slope) curve-fit.
2982	2	SOCE inhibition	Jurkat E6.1 cells were seeded at a density of 1-2×105 cells per well in calcium-4 dye prepared in calcium free HBSS (Sigma, USA). Test compounds from this invention were added to the cells at different concentrations. This was followed by the addition of thapsigargin (TG), a SERCA inhibitor, to empty the stores of calcium. Calcium chloride was added to the cells after 10-30 min to induce calcium influx and the fluorescence was measured for 10 min using the FLIPR-Tetra detection system. Fluorescence was also measured using a plate reader at 485 nm excitation and 520 nm emission (Synergy2, Biotek, USA) after 30-90 minutes of calcium addition. Fluorescence observed in cells treated with Thapsigargin and calcium chloride solution was considered 100% maximal signal and the reduced fluorescent signal observed in the presence of test compounds was expressed as percent inhibition of the maximal signal. The dose response data was analyzed using 4-parametric sigmoidal dose response (variable slope) curve-fit.
2982	3	NFAT Transcriptional Activity	HEK 293 cells were stably transfected with a NFAT-Luc reporter gene. 30,000-80,000 cells were seeded per well. Test compounds from this invention were added to the cells at different concentrations. Thapsigargin (TG) was added after 10 mins and the cells were incubated for 4-8 h. NFAT transcriptional activity was measured using BrightGlo reagent (Promega USA). Luminescence observed in cells treated with thapsigargin was considered 100% maximal signal and the reduced fluorescent signal observed in the presence of test compounds was expressed as percent inhibition of the maximal signal. The data was analyzed using 4-parametric sigmoidal dose response (variable slope) curve-fit.
2984	1	Biological Assays	Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1.) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule prode (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
2987	1	In-vitro IDO1 Enzyme (Indoleamine 2,3-dioxygenase) Assay	Human indoleamine 2,3-dioxygenasel (hIDO1) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formylkynurenine which can be converted to kynurenine (KYN) by deformylation. hIDO1 with an N-terminal His tag, expressed and purified from E. coli cells was procured from either Enzo LifeScienccs, NY, USA). Unless otherwise stated, all materials were procured from Sigma Aldrich, Mo., USA.The assay monitoring the conversion of L-tryptophan to KYN was carried out as follows. hIDO1 (10 nM) was incubated with tryptophan (30 &#956;M) in the presence of ascorbic acid (20 mM), methylene blue (10 &#956;M) and catalase (100 &#956;g/mL) in potassium phosphate buffer (50 mM; pH 6.5) at 37C for 30 min. The reaction was terminated with 30% trichloroacetic acid (TCA) and further incubated at 65C for 15 min to fully convert N-formylkynurenine to KYN. The reaction mixture was then centrifuged to remove sediments and the KYN in the supernatant was estimated by UV-visible absorption spectroscopy at 360 nm using a Waters HPLC system fitted with a C-18 column or by LC/MS/MS. See, Sono, 1980, J. Biol. Chem., 255:1339-1345, which is herein incorporated by reference.Percent inhibition at each concentration of test compounds was determined by estimating the decrease in KYN with reference to the reaction control with 1% DMSO vehicle. Data were analyzed using nonlinear regression to generate IC50 values using Graph Pad Prism 5.
2987	2	In-vitro IDO2 Enzyme (Indoleamine 2,3-dioxygenase2) Assay	Human indoleamine 2,3-dioxygenase-2 (hIDO2) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formylkynurenine which can be converted to kynurenine (KYN) by deformylation. hIDO2 with an C-terminal His tag (Sino Biological Inc (China)) was expressed in E. coli cells and the protein was purified using standard methods well known in the art. Unless otherwise stated, all materials were procured from Sigma Aldrich, Mo., USA.The assay monitoring the conversion of L-tryptophan to KYN was carried out as follows. hIDO2 (160 nM) was incubated with tryptophan (5000 04) in the presence of ascorbic acid (20 mM), methylene blue (10 04) and catalase (100 &#956;g/mL) in potassium phosphate buffer (100 mM; pH 7.5) at 37 degrees C. for 30 min. The reaction was terminated with 30% trichloroacetic acid (TCA) and further incubated at 65 degrees C. for 15 min to fully convert N-formylkynurenine to KYN. The reaction mixture was then centrifuged to remove sediments, and the KYN in the supernatant was measured by UV-visible absorption spectroscopy at 360 nm using a Waters HPLC system fitted with a C-18 column or by LC/MS/MS (C. J. D Austin et. Al, Amino Acid 2009, 565-578).Percent inhibition at each concentration of test compounds was determined by determining the decrease in KYN with reference to the reaction control with 1% DMSO vehicle. Data were analyzed using nonlinear regression to generate IC50 values using Graph Pad Prism 5. Compounds 2 and 184 were tested as described above.
2988	1	LANCE Assay	Analysis of pharmacological properties of compounds was performed using the LANCE cAMP kit (Perkin Elmer). HEK293 cells stably expressing the hMC4R were treated with PAM compounds at doses indicated, then incubated with an Alexa Fluor 647-labeled antibody in stimulation buffer according to manufacturer&#39;s instructions for 30 min at RT. Next, &#945;-MSH was added (at an EC20 dose or at doses indicated for concentration-response curves), and plates were incubated for 15 minutes at RT, followed by the addition of 10 &#956;L of detection mix. Plates were then incubated for 30 minutes at RT and read on a Viewlux (Perkin Elmer) using 618 and 671 nm emission filters. IBMX was not included in the assay.
2998	1	Determination of Allosteric Potency EC50 Values for Muscarinic M1 Receptor	A stable CHO cell line expressing recombinant human Muscarinic M1 receptor and pCRE-Luc reporter system was used for cell-based assay. The assay offers a non-radioactive based approach to determine binding of a compound to GPCRs. In this specific assay, the level of intracellular cyclic AMP which is modulated by activation or inhibition of the receptor is measured. The recombinant cells harbor luciferase reporter gene under the control of cAMP response element.The above cells were grown in 96 well clear bottom white plates in Hams F12 medium containing 10% fetal bovine serum (FBS). Prior to the addition of compounds or standard agonist, cells were serum starved overnight. Increasing concentrations of test compounds were added along with EC20 of acetylcholine in OptiMEM medium to the cells. The incubation was continued at 37° C. in CO2 incubator for 4 hours. Medium was removed and cells were washed with phosphate buffered saline. The cells were lysed and luciferase activity was measured in a Luminometer. Luminescence units were plotted against the compound concentrations using Graphpad software. EC50 values of the compounds were defined as the concentration required in stimulating the luciferase activity by 50% in presence of EC20 of acetylcholine.
2999	1	In Vitro CDK9/CyclinT Assay	The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptide by human CDK9/CyclinT kinase complex by fluorescent polarization using a commercially available IMAP Screening Express Assay Kit (Molecular devices).Test compounds were diluted in 100% DMSO to 5 mM stock concentration, then further dilutions were made in H2O or 100% DMSO to desirable concentrations.Each reaction consisted of 5 nM enzyme: CDK9/CyclinT (Proqinase cat#0371-0345-1), 400 nM TAMRA-Rbtide (synthetic 15-mer peptide derived from human retinoblastoma tumor suppressor protein labeled with TAMRA dye, Genecust Europe), 12 &#956;M ATP (=Kmapp, Sigma-Aldrich) and kinase buffer: 20 mM MOPS pH 7 (Sigma-Aldrich), 1 mM DTT (Sigma-Aldrich), 10 mM MgCl2 (Sigma-Aldrich), 0.01% Tween 20 (Sigma-Aldrich).For each reaction, 4 or 6 &#956;l containing TAMRA-Rbtide, ATP and kinase buffer were combined with 2 &#956;l diluted compound in H2O or 0.028 &#956;l compound in 100% DMSO. The kinase reaction was started by the addition of 2 &#956;l diluted enzyme. The reaction was allowed to run for 1 hour at room temperature. The reaction was stopped by adding 15 &#956;l IMAP beads (1:400 beads in progressive (100% buffer A) 1× buffer). After an additional 1 hour, fluorescent polarization (Ex: 550-10 nm, Em: 590-10 nm, Dich: 561 nm) was measured using an Analyst GT (Molecular devices).
3001	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at r.t. to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at r.t. for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at r.t. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at r.t. for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
3004	1	FGFR Family Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kinase activity of a compound of Formula (III). Serial dilutions of test compounds were incubated with either human recombinant FGFR1 (0.5 nM), FGFR2 (0.1 nM, FGFR3 (0.9 nM), or FGFR4 (2 nM), ATP (FGFR1: 100 &#956;M; FGFR2: 75 &#956;M; FGFR3: 120 &#956;M; FGFR4: 250 &#956;M) and a phosphoacceptor peptide substrate FAM-KKKKEEIYFFF-CONH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper LabChip 3000. Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated. This value is presented as the IC50.
3005	1	Enzymatic Inhibition Assay	Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-Pi-FELVKK-CO2), were purchased from AnaSpec (Fremont, Calif., USA). JAK1-JH1JH2 (574-1154 with a His-GST Tag and a C-terminal tev (ENLYFQ-G) cleavage site), JAK3-JH1JH2 (512-1124 with a GST Tag and a C-terminal tev (ENLYFQ-G) cleavage site), and Tyk2-JH1JH2 (8H_tev_580-1182-C936A-C1142A with a C-terminal tev (ENLYFQ-G) cleavage site) were purified internally. JAK2-JH1JH2 (532-1132 with a GST tag and C-terminal tev (ENLYFQ-G) cleavage site), was purchased from Invitrogen. LC/MS grade water and acetonitrile (ACN), were purchased from HoneyWell, Burdick & Jackson (Muskegon, Mich., USA). Dimethylsulfoxide 99.8% (DMSO) and trifluoroacetic acid 99.5% (TFA) were purchased from EMD Chemical (Gibbstown, N.J., USA). Adenosine triphosphate (ATP), 4-morpholinepropanesulfonic acid (MOPS), magnesium chloride (MgCl2), ethylenediaminetetraacetic acid (EDTA), dithiothreitol (DTT), formic acid>95% (FA) and Tween-20 were purchased from Sigma (St Louis, Mo., USA). 384-well polypropylene plates, Cat#781280 were purchased from Greiner (Monroe, N.C.), RapidFire cartridge A C4 Column (Agilent Technologies, Santa Clara, Calif.).The HTMS experiments were performed in positive ionization mode on a RapidFire 300 instrument (Agilent Technologies, Santa Clara, Calif.), coupled with an ABSiex QTrap 4000 system with an Electrospray Ionization source (RF-MS) (Concord, ON, Canada). The RapidFire system was run with 3 Agilent 1200 series isocratic pumps Agilent Technologies (Santa Clara, Calif.) and one peristaltic pump model ISM832C from Ismatec (Wertheim, Germany). The entire system was operated using the RapidFire software interfaced with Analyst software for the mass spectrometer.Assay Protocol11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilution plates, sample was transferred to a 384 wells assay plate (#781280, Greiner, Monroe, N.C.) using Labcyte Echo (Sunnyvale, Calif.), or Biosero ATS (San Diego, Calif.). The compounds were tested in duplicate. Column 12 was used for positive controls, and column 24 contained negative controls with no enzyme added. A compound from our internal collection, with inhibitory activity for JAK isoforms, was used as a reference compound. The final concentration of DMSO was &#8804;0.25% in a 20 &#956;L reaction. Assay conditions for each of the proteins are summarized in Table 3. The enzyme reaction was initiated by the addition of 10 &#956;L of enzyme and ATP mixture to 10 &#956;L of substrate solution prepared in reaction buffer (50 mM MOPS pH 7.5, 10 mM MgCl2, 1 mM EDTA, 2 mM DTT, 0.002% Tween-20). The Tyk2 enzyme was pre-incubated with 2 mM ATP for 30 min prior to the reaction initiation. Immediately after the addition of the enzyme to the reaction mixture, the plate was centrifuged at 1000 rpm for 1 minute and incubated at 25° C. for 45 minutes for JAK3 and 90 minutes for JAK1, JAK2 and Tyk2. The reaction was quenched by the addition of 20 &#956;L of 0.5% TFA containing 0.15 &#956;M of internal standard peptide using Multidrop Combi reagent dispenser (Thermo Scientific, Waltham, Mass.). Several wells in column 24 were typically used for the product standard curve. After the quench, the assay plate was centrifuged at 3000 rpm for 3 minutes and sealed with pierceable aluminum foil (Cat#06644-001, Agilent) using a PlateLoc (Agilent Technologies, Santa Clara, Calif.). The plates then were transferred on to the RapidFire for the MS analysis. Compound inhibition was assessed by a decrease of the phosphorylated product levels in sample wells compared to the non-inhibited enzyme reaction.
3006	1	Kinase Screening Assay	Compound IC50 values were determined from 10-point, 1:3 dilution curves starting at either 100 &#956;M or 10 &#956;M with 10 &#956;M ATP, by Reaction Biology Corp. For the whole kinome screen compounds were screened against 340 wild type kinases at a single dose of 1 &#956;M, in duplicate, with 10 &#956;M of ATP by Reaction Biology Corp. The data was averaged and plotted as percentage enzyme activity relative to DMSO, as negative control, using DiscoverRX TREEspot software.
3008	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
3011	2	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 ml/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices) to generate IC50 values.
3011	3	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as: (Mt&#8722;M0)/Mwater×100% in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. Test compound concentration-dependent response data experiments performed in triplicate. Mean CYP2D6 IC50 values were derived from non-linear, least-squares fitting of dose-dependent response data to a standard logistic equation (Prism, GraphPad Software, Inc) to generate the CYP2D6 IC50 results.
3012	1	Determination of LMP7 Activity	Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immunoproteasome (0.25 nM) and serial diluted compounds in DMSO (range of concentrations from 30 &#956;M to 15 &#956;M) or controls are incubated for 20 minutes at 25° C. in assay buffer containing 50 mM Tris pH 7.4, 0.03% SDS, 1 mM EDTA and 1% DMSO. The reaction is initiated by the addition of the fluorogenic peptide substrate, Suc-LLVY-AMC (Bachem 1-1395), at a concentration of 40 &#956;M. After 60 minutes of incubation at 37° C., fluorescence intensity is measured at &#955;ex=350 nm and &#955;em=450 nm with a fluorescence reader (Perkin Elmer Envision reader or equivalent).
3012	2	Determination of Beta5 Activity	Measurement of Beta5 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human constitutive proteasome (1.25 nM) and serial diluted compounds in DMSO (range of concentrations from 30 &#956;M to 15 &#956;M) or controls are incubated for 20 minutes at 25° C. in assay buffer containing 50 mM Tris pH 7.4, 0.03% SDS, 1 mM EDTA and 1% DMSO. The reaction is initiated by the addition of the fluorogenic peptide substrate, Suc-LLVY-AMC (Bachem 1-1395), at a concentration of 40 &#956;M. After 60 minutes of incubation at 37° C., fluorescence intensity is measured at &#955;ex=350 nm and &#955;em=450 nm with a fluorescence reader (Perkin Elmer Envision reader or equivalent).
3013	1	SGLT2 and SGLT1 Inhibition	IC50 values of inhibition of some compounds described in the present invention and related compounds on SGLT2 and SGLT1 are determined according to the method similar to that recorded in the document (Meng, W. et al, J. Med. Chem., 2008, 51, 1145-1149).
3014	1	Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
3015	2	Biological Assay	Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, secondary and tertiary amines. In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropanamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAO-A and MAO-B activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 &#956;L. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in duplicate within the same experiment.Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of at least eight 3-fold serial dilutions each. Clorgyline and Deprenyl (Sigma Aldrich) was used as a control for specific inhibition of MAO-A and MAO-B respectively.
3015	1	Biological Assay	Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective test compound (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Ampiex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor.
3016	1	Radioligand Binding Assay	Preparation of Membranes: HEK293 cells stably expressing human CB2 receptor were collected, washed in ice cold PBS, and centrifuged at 48,000×g for 20 min at 4° C. The cell pellet was then collected, resuspended in wash buffer (20 mM HEPES, pH 7.4 and 1 mM EDTA), homogenized on ice using a Brinkman Polytron, and centrifuged at 48,000×g for 20 min at 4° C. The resultant pellet was resuspended in ice cold 20 mM HEPES, pH 7.4, homogenized again on ice, recentrifuged for 20 min at 4° C., and membrane pellets were then stored at &#8722;80° C. until needed.[3H]P55,940 and [3H]WIN55, 212-2 Radioligand Binding Assays: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55, 212-2 and similar assay conditions. For both assays, nonspecific binding was determined in the presence of 10 &#956;M unlabeled compound. Competition experiments consisted of addition of 20 &#956;L of assay buffer (50 mM Tris, pH 7.4, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL of fatty acid free BSA) containing test compound (concentrations ranging from 1 pM to 100 &#956;M), 25 &#956;L of radioligand (1 nM final assay concentration for [3H]CP55,904 and [3H]WIN55, 212-2), and 50 &#956;L of membranes (20 &#956;g/mL final protein for both assays). Incubations were conducted for 1 h at room temperature, assay plates were filtered under reduced pressure over GF/B filters, washed with assay buffer and dried overnight in a 50° C. oven. Then, 25 &#956;L of BetaScint scintillation cocktail was added to each well, and plates were read in a Packard TopCount scintillation counter.
3017	2	Uptake Assay Protocol	NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells, desipramine (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank&#39;s Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 &#956;L polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1×HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human norepinephrine transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from &#8722;80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 &#956;L of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours.
3017	1	Uptake Assay Protocol	DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 12909 (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank&#39;s Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 pt polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1×HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human dopamine transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from &#8722;80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 &#956;L of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours.12 &#956;L of test compound (10 mM) in DMSO was added to the wells, and nomifensine was used as a control. GBR 12909 (final assay concentration of 10 &#956;M) was used for background signal. The neurotransmitter transporter dye was prepared in AB prior to use.
3017	3	Uptake Assay Protocol	SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fluoxetine (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank&#39;s Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 &#956;L polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1&#955; HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human serotonin transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from &#8722;80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 &#956;L of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours.
3017	4	Activity Assay	HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at &#8722;70 mV, a 160 ms step to &#8722;60 mV (to obtain an estimate of leak), a 100 ms step back to &#8722;70 mV, a 1 s step to +40 mV, a 2 s step to &#8722;30 mV, and finally a 500 ms step to &#8722;70 mV. In between the pre- and post-compound voltage pulses, there was no clamping of the membrane potential. Currents were leak-subtracted based on the estimate of current evoked during the +10 mV step at the start of the voltage pulse protocol. The current signal was sampled at 2.5 k Hz. For each compound, the IC50 value was determined.
3017	5	Inhibition Assay	Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amount was 2 pmol per well, and the substrate (7-benzyloxy-4-(trifluoromethyl) coumarin; BFC) was used at 15 &#956;M. The assay mixture also included K2HPO4 (pH 7.4; conc. 0.1 M) and NADPH (conc. 1 mM). The incubation time was 30 minutes, and the reference inhibitor was A-naphthoflavone. For CYP2D6, the enzyme amount was 2 pmol per well, and the substrate (7-methoxy-4-(aminomethyl)-coumarin; MAMC) was used at 20 &#956;M. The assay mixture also included K2HPO4 (pH 7.4; conc. 0.1 M) and NADPH (conc. 0.06 mM). The incubation time was 35 minutes, and the reference inhibitor was quinidine.Briefly, 0.6 &#956;L of serially diluted compound was added to 75 &#956;L water. 10 &#956;L of diluted compound in water was then added to each assay plate. 20 &#956;L of a K2HPO4, enzyme, and substrate mixture was added. After 10 minutes of room temperature pre-incubation, 10 &#956;L of NADPH was added, and the plates were placed at 37° C. for 30 or 35 minutes depending on the enzyme being tested. After the incubation was complete, 20 &#956;L of 0.1% Tris/ACN was added to the plate. The plate was read on a FluorStar fluorescence plate reader.
3018	1	Human AMCase Activity Assay	An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-Methylumbelliferyl B-D-N,N&#8242;-diacetylchitobioside hydrate was used as a substrate for the enzyme. Upon hydrolysis by AMCase, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of hAMCase recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Buffer (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
3018	2	Human CHIT1 Activity Assay	An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-methylumbelliferyl &#946;-D-N,N&#8242;,N&#8243;-triacetylchitotriose was used as a substrate for the enzyme. Upon hydrolysis by CHIT1, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of CHIT1 recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Solution (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
3020	1	Factor XIa Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; J T Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.
3022	1	In Vitro c-Met Kinase Enzyme Assay	Compounds were screened in vitro for their ability to inhibit c-Met kinase activity. The IC50 values of compounds for the inhibition of c-Met kinase were determined as described in the literature with some modifications (Wang, X. et al, Mol. Cancer Ther. 2003, 2(11):1085-1092; Calic, M. et al., Croatica Chemical ACTA. 2005, 78(3):367-374). Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, #PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, #P0275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, #DY990). The reaction was carried out in a 50 &#956;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &#956;M Na3VO4, 5 &#956;M ATP (Cell Signaling Technology, #9804) and serial dilutions of individual compounds. The reaction lasted for 25 minutes at 30° C. After the reaction was completed, the contents of the plates was discarded. Plates were then washed with TBS-T (250 &#956;L/well, 5×) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &#956;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody (Sigma, #A5964) diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour. Plates were washed with TBS-T (250 mL/well, 5×) and followed by the color reaction using 100 &#956;L (1:1 mixture) of H2O2 and tetramethylbenzidine (R&D Systems, #DY999). The reaction was stopped in minutes with 100 &#956;L of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm. IC50 values were calculated with the GraphPad Prism software. The linear range (i.e., the time period over which the rate remained equivalent to the initial rate) was determined for the kinase and IC50 determinations were performed within this range.
3023	2	PI3K Enzyme Assay	Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; are purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination is performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. Compounds with an IC50 of less than 10 &#956;M in the assay of Example A2 are considered to be active.
3023	1	Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 M PIP2, 20 M ATP, 0.2 &#956;Ci [&#947;-33P]ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
3025	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1×LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
3027	1	Inhibitory Activity Assay	Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solutions were stored in a freezer as stock solutions of each test compound. After being thawed when required, the solutions were diluted 20-fold with 100% DMSO to give a 500 &#956;M concentration. Further, 10-fold serial dilutions were made with 100% DMSO to prepare test compounds of different concentrations. 2 &#956;l of solutions containing one of each of the test compound were separately added into 1.2 ml tubes in which 23 &#956;l of 20 mM Tris-HCl (pH 7.4) had been placed beforehand. 25 &#956;l of a PDE4D enzyme solution diluted at an optimal ratio determined in (3) above were added on ice to each of the tubes, and 50 &#956;l of a substrate solution containing 2 &#956;M[3H] cAMP prepared by dilution with a 20 mM Tris-HCl (pH 7.4) containing 10 mM MgCl2 was added thereto. The final DMSO concentration in the reaction liquid was 2%. After mixing, the mixture was incubated for 10 minutes at 30° C. At the completion of the incubation, the tubes were placed in a bath containing boiling water for 3 minutes, and the reaction was stopped. After cooling the tubes in ice, 25 &#956;l solution of 0.2 mg/ml snake venom was added thereto, and after mixing the mixture was incubated for 10 minutes at 30° C. At the completion of the incubation, 0.4 ml of a Dowex 1×8 resin solution prepared in an EtOH:H2O (1:1) solution was added thereto. After mixing, the tubes were allowed to stand at room temperature for at least an hour. 50 &#956;l of the supernatant in one of each of the tubes was moved to one of the wells of a topcount plate, and the plate was dried overnight. 3H radioactivity (cpm) was measured using a TopCount.
3028	1	Enzymatic Activity Assay	The compounds of the present invention inhibit the enzymatic activity of human IDO1.To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorbic acid (10 mM), methylene blue (5 &#956;M) and human recombinant IDO1 enzyme (prepared as described in Rohrig et al. J Med Chem, 2012, 55, 5270-5290; final concentration 5 &#956;g/mL) without or with the compounds of the present invention at the indicated concentrations (total volume 112.5 &#956;L). The reaction was initiated by the addition of 37.5 &#956;L of L-Trp (final concentration 100 &#956;M) at room temperature. The reaction was conducted at room temperature during 15 minutes and stopped by the addition of 30 &#956;L of 30% (w/v) trichloroacetic acid.To convert N-formylkynurenine into kynurenine, the reaction mixture was incubated at 65° C. for 30 min. Then 120 &#956;L of 2.5% (w/v) 4-(dimethylamino)-benzaldehyde in acetic acid were added and the mixture incubated for 5 min at room temperature. Kynurenine concentrations were determined by measuring the absorbance at 480 nm. A standard curve was made with pure kynurenine. The IDO1 activity was measured as described above using ten serial concentrations of the compounds of the present invention. Data were fitted using the Prism software (GraphPad Software, Inc.).
3030	1	Inhibitory Activity Assay	Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing the ectodomain of BACE1, 25 &#956;l water containing the desired 2-fold concentration of test compound and 2% DMSO, 1 &#956;M substrate peptide, 20 mM NaOAc, pH 4.4, and 0.04% Triton-X100 in a total assay volume of 50 &#956;l in a 384 well plate. In general, 25 &#956;l of compound dilution were given to the plate followed by the addition of 10 &#956;l of BACE1 containing OptiMEM diluted 1:10 in water with 0.2% Triton X-100. The reaction was started with the addition of 15 &#956;l substrate in NaOAc buffer. The reaction was incubated at rt (dark) in an Envision multilabel reader (Perkin Elmer) and the cleavage of the substrate was recorded as kinetic for 60 min at ex: 485 nm, em: 538 nm. Blank wells containing no enzyme were included on each plate.The intensity of fluorescence was regressed against time in order to derive velocities of reaction in all 384 wells. These velocities were used for calculating percent control using an uninhibited control containing 1% DMSO as 100% and blank control performed in the absence of enzyme as 0%. IC50 values were calculated by fitting percent control vs. test compound concentration using Assay Explorer.
3035	1	Inhibition Assay	The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5 microplate reader. IC50 values for each compound were determined in duplicate or triplicate using dose-response curves with nine concentration points (1 pM-3 mM). The standard deviation of the assays were less than 15% with nNOS or iNOS, and less than 25% with eNOS. The inhibition constants (Ki) of these compounds were determined from the IC50 and Km values (rat nNOS=1.3 &#956;M; murine iNOS=8.2 &#956;M; bovine eNOS=1.7 &#956;M) for all three NOS isoforms using the following relationship: Ki=IC50/(1+[S]/KM).The selectivity of antagonism of nNOS relative to iNOS or eNOS was determined by calculating the ratios of the Ki values with iNOS or eNOS to those with nNOS. Compounds 3-8, having various amino functional groups, were found to have moderate to excellent selectivity (50-2822 of e/n, 36-273 of i/n) and moderate to good binding affinity (24-4370 nM) to nNOS. 
3037	1	Inhibition Assay	ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released from the substrate, lysophosphatidylcholine (LPC) as it is cleaved to LPA. Conditioned media is collected from confluent Hep3B cells and concentrated 20-fold using Centriprep-30 filter devices (Millipore). To assay for autotaxin inhibition, 10-20 &#956;L of the concentrated conditioned media is incubated with 2.5 &#956;L of a test compound in DMSO and 72.5-82.5 &#956;L lyso-PLD buffer (100 mM Tris pH 9, 500 mM NaCl, 5 mM MgCl2, 5 mM CaCl2, 0.05% Triton X-100 in the presence or absence of 0.2% fatty-acid-free human serum albumin) for 15 min at 37° C. After the 15 min incubation, 5 ul of 2 mM LPC (14:0; Avanti Polar Lipids Cat#855575C) diluted in lyso-PLD buffer is added for a final concentration of 100 uM and the incubation continues for 1.5-3 hours at 37° C. 100 &#956;l of a color mix containing 4.5 mM 4-aminoantipyrine, 2.7 mM N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine, 21 units/ml horseradish peroxidase and 3 units/ml choline oxidase in 50 mM Tris, pH 8, 4.5 mM MgCl2 is added and the incubation continued for 15 minutes at room temperature before reading the absorbance at 555 nm.
3039	1	Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;l and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;l of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/ml FMN, 2 &#956;l/ml Decanal/Ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
3042	1	Biochemical Activity Assay	FLT3(ITD) biochemical assays were performed on two different assay system platforms, using Transcreener ADP Assay FP method (BellBrook Labs, Madison, Wis., US) and IMAP FP biochemical activity assays (Molecular Devices, Sunnyvale, Calif., US).In each case the assays were performed in low protein binding, black, round bottom 384-well plates type 3676 (Corning, One Riverfront Plaza, NY, US). Kinase inhibitor compounds were dissolved in 100% DMSO to 5 mM and then we prepared serial dilutions in order to determine IC50 values.In the TranScreener FLT3(ITD) assay we used the following materials in the following final concentrations for the reaction: 8 nM FLT3(ITD) (ProQinase, Freiburg, Germany), 0.05 mg/ml Poly Glu-Tyr peptide (Sigma-Aldrich, Budapest, Hungary) as a substrate, 20 mM HEPES pH 7.5 (Sigma-Aldrich), 1 mM DTT (Sigma-Aldrich), 3 mM MgCl2 (Sigma-Aldrich), 3 mM MnCl2 (Sigma-Aldrich), and 0.01 V % V Tween20 (Sigma-Aldrich) as a detergent. The kinase reaction had started by the addition of 2 &#956;l 5× enzyme, and the reaction had been progressing in the volume of 10 &#956;l for 1 hour at room temperature. The reaction has been stopped by adding 10 &#956;l Transcreener Stop and Detection Solution and had been incubated for additional 1 hour. The solution contained in every case 20 mM HEPES pH 7.5, 40 mM EDTA, 0.02 V/V % Brij35 and 3 nM ADP Alexa633 Tracer. The ADP antibody concentration was 2.08 &#956;g/ml according to the Kmapp value which was 1 &#956;M. Then fluorescence polarization and fluorescence intensity was measured using Analyst GT Multimode Reader (Molecular Devices).In the IMAP FP assay the reaction conditions were the following: 16-45 nM FLT3(ITD) (ProQinase), 400 nM 5TAMRA-GEEPLYWSFPAKKK-NH2 dyed peptide for substrate (Genecust, Dudelenge, Luxembourg), 20 mM HEPES pH 8, 1 mM DTT, 10 mM MgCl2, 2 mM MnCl2, and 0.01V % V Brij35 detergent (Sigma-Aldrich). The ATP concentration was 5.1 &#956;M. The kinase reaction had started by the addition of 2 &#956;l 5× enzyme, and the reaction had been progressing in the volume of 10 &#956;l for 1 hour at room temperature and then was terminated by adding 10 &#956;l IMAP Detection mixture. Fluorescence polarization and fluorescence intensity was measured using Analyst GT Multimode Reader (Molecular Devices) after 1.5 hour of incubation on room temperature.
3044	1	Binding Assay	Stable and optimal assay conditions were determined by cross-titrating GST-AKAP18 &#948; and biotinylated PLB using 10 &#956;g/ml glutathione acceptor beads and 10 &#956;g/ml streptavidin donor beads in an AlphaScreen assay. The excitation wavelength was 680 nm, with the emission wavelength being 520-560 nm. Signal intensity in each well was registered and the optimal concentration to use was chosen to be the concentration prior to the peak of the signal.
3047	1	Inhibition Assay	The term selective inhibitor as used in reference to MMPs refers to an inhibitor that inhibits the enzymatic activity of one MMP in the presence of one or more other MMPs, typically by at least one order of magnitude, for example, with respect to the Ki. The methods used to obtain Ki data are known in the art and are described, for example, by Brown et al., J. Amer. Chem. Soc. 2000, 122(28), 6799-6800, and the references cited therein. Additional useful assays and techniques are described in U.S. Patent Publication No. 2009/0209615 (Lipton et al.), which is incorporated herein by reference in its entirety.
3049	1	Kinase Assay	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologiesa Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated (0% Control) and phosphorylated (100% control) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
3052	1	FLIPR Assay	The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the human CXCR3A (GenBank: AY242128) coupled to a G protein (Galpha(16)). Cells are plated the day prior to bioassay in F12 medium supplemented with 10% FBS and G418 and hygromycin antibiotics to maintain recombinant selection. At the day of bioassay, cells are washed and dye loaded for one hour with Fluo-4-AM (Invitrogen) in Hanks Balanced Salt Solution (Invitrogen), buffered with 20 mM Hepes at pH 7.4 and sodium bicarbonate (0.038%), containing 5 mM probenecid. This buffer, but lacking the dye and containing probenecid at a concentration of 2.5 mM, is also used for washing steps (wash buffer); or lacking both dye and probenecid but supplemented with 0.1% BSA for compound dilution steps (dilution buffer). Cells are washed free of excess dye and 60 microliter of wash buffer is added. Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in dilution buffer to concentrations required for inhibition dose response curves. After a 10 minute incubation period at 37° C., 10 microliters of each compound dilution are transferred from a compound plate to the plate containing the recombinant cells in the FLIPR instrument according to the manufacturer&#39;s instructions. Following basal readings, 10 microliter CXCL10 agonist at a concentration of 20 nM (from Peprotech) is added, again using the FLIPR instrument. Changes in fluorescence are monitored before and after addition of the test compounds. Emission peak values above base level after CXCL10 addition are exported after base line subtraction.
13197	1	DNA-PK Biochemical Assay Using Reaction Biology&#39;s HotSpot Kinase Assay Protocol 	Reagent: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required cofactors are added individually to each kinase reaction.Reaction Procedure: 1. Prepare substrate in freshly prepared Reaction Buffer; 2. Deliver any required cofactors to the substrate solution above; 3. Deliver kinase into the substrate solution and gently mix; 4. Deliver compounds in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 20 min at room temperature; 5. Deliver 33P-ATP into the reaction mixture to initiate the reaction; 6. Incubate for 2 hours at room temperature; 7. Detect kinase activity by P81 filter-binding method.
13197	2	Ataxia-Telangiectasia Mutated (ATM) Biochemical Assay Using Reaction Biology&#39;s HTRF Kinase Assay Protocol	The assay detects kinase activity by antibody based HTRF assay. The GST-tagged p53 protein serves as substrate and Eu-labeled-antibody with specific phosphorylation site binds upon phosphorylation which is monitored by HTRF from the anti-GST-d2.Reagent: Reaction buffer; 50 mM Hepes (pH 7.5), 150 mM NaCl, 10 mM MnCl2, 1% Glycerol, 0.01% Brij35, 1 mM DTT, 1% DMSO.Substrate: Human p53 (aa2-393), RBC produced in E. coli, N-terminal GST-Tag, MW=70.42 kDa.[0429]Detection; MAb Anti-p53-pS15-Eu cryptate, CisBio cat #61P08KAZ; MAb Anti GST-d2Reaction Procedure: 1. Deliver 2× Enzyme in wells of reaction plate except No E control wells. Add buffer instead; 2. Deliver compounds in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 30 min at room temperature; 3. Deliver 2× substrate+ATP mixture into the reaction mixture to initiate the reaction; 4. Incubate for 2 hours at room temperature.
13197	3	Biochemical Assay using Reaction Biology&#39;s ADP-Glo Assay	Step 1: Lipid kinases: Reaction Biology Corporation (RBC) currently offers lipid kinases in ADP-Glo formatStep 2: Assay Description Assay principle: The kinase reactions utilize ATP and produce ADP as a byproduct. The ADP production is quantified by ADP-Glo luminescence detection. This is a 3-step reaction: First, the kinase reaction with lipid substrate is carried out in the presence of ATP, and the reaction is quenched and depleted remaining ATP with ADP-Glo™ reagent, and then finally ADP is converted to ATP which is measured using a luciferase/luciferin reaction.Step 3: Assay Procedure: 1. Prepare kinase in freshly prepared Reaction Buffer, kinase without substrate is delivered to background wells; 2. Deliver substrate into the kinase solution and gently mix, deliver to assay wells; 3. Deliver compounds in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 20 min at room temperature; 4. Deliver ATP into the reaction mixture to initiate the reaction; 5. Incubate for 60 min at 30° C.; 6. Quench the reaction with ADP-Glo reagent and incubate for 40 min; 7. Add Detection Mixture and incubate for 30 min; 8. Measure luminescence.Step 4: Data Analysis: The luminescence is converted into M ADP production based on ADP standard curves. The nonlinear regression to obtain the standard curve and IC50 values are performed using Graphpad Prism software.
13197	4	Phosphoinositide 3-kinase (PI3KD) Biochemical Assay	A solution was prepared containing 0.2 nM Anti-HIS-Terbium (Cisbio, 64CUSTAZU), 40 nM designed-probe and 1.0 nM His-PIK3CD/PIK3R1 (p110 delta/p85 alpha) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest for liquid handling, the detection antibody/enzyme/probe solution (2 uL per well) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at room temperature for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.
13197	5	Phosphoinositide 3-kinase α (PI3Kα) Biochemical Assay	A solution was prepared containing 0.2 nM Anti-HIS-Terbium (Cisbio, 64CUSTAZU), 3.7 nM designed-probe and 1.0 nM His-PIK3CA/PIK3R1 (p110 alpha/p85 alpha) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest for liquid handling, the detection antibody/enzyme/probe solution (2 uL per well) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at room temperature for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.
3057	1	Inhibition Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
3057	2	Inhibition Assay	Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX ) at a concentration of 0.00008-0.0004 M.
3061	1	Kinase Assay	The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to the protocols provided in the assay kit. In brief, the enzyme reaction was carried out in the kinase reaction buffer containing Btk (2 ng/&#956;l), ATP (1.2 &#956;M), poly GT peptide (0.3 &#956;M), DTT (40 nM), MnCl2 (1.4 mM), and 1×kinase buffer (included in the kit) in the presence or absence of the tested articles at various concentrations in 384-well plate at room temperature (22±1° C.) for 60 minutes. The final reaction volume for each reaction was 10 &#956;l. Then, 4 &#956;l of ADP-Glo reagent (included in the kit) was added into the reaction and the plate was further incubated for another 40 minutes to terminate the reaction and deplete the remaining ATP. Finally, 10 &#956;l of the kinase detection reagent was added into each reaction to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured by a plate-reading luminometer (Victor X5 2030 multilabel reader, PerkinElmer). IC50 value was calculated using appropriate programs in GraphPad Prism by plotting the logarithm of the concentration versus percent inhibition as compared with a vehicle (DMSO) control. 
3062	1	Kinase Assay	For the assay, 11 different concentrations in the range from 20 &#956;M to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO. For the assay, 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of Irak4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 &#956;M activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 &#956;l of assay volume: 1 &#956;M) and peptide substrate (0.83 &#956;M=final concentration in 5 &#956;l assay volume: 0.5 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the Irak4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 &#956;l of a solution of TR-FRET detection reagents [0.1 &#956;M streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG) and 1.5 nM anti-phosphoserin antibody [Merck Millipore, STK Antibody, catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077, alternatively it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).
3049	2	Kinase Assay	The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies-a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission. Briefly, recombinant DYRKIA kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ("0% Control") and phosphorylated ("100% control") forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control. After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
3051	1	ADP-Glo Kinase Assay	1× and 2× assay buffer were made at first. BTK kinase was diluted with 1× assay buffer but substrate was diluted with 2× assay buffer. 1 ul of diluted compound was transferred into 384-well assay plate, and then 2.0 ul of enzyme solution was added, and spun at 2000 rpm for 1 min. This mixture was incubated at 24° C. for 30 mins. 2 ul of peptide substrate/ATP mixture was added into the assay plate to start the reaction. The mixture was mixed thoroughly and then the 384-well plate was spun and incubated at 24° C. for 60 mins. 5.0 ul of ADP-Glo Reagent was added to stop the kinase activity and deplete the ATP unconsumed, and the plate was mixed thoroughly and incubated at 24° C. for 40 min. Then, 10.0 ul of Kinase Detection reagent was added, and the plate was centrifuged and then kept at 24° C. for 30 min. The luminescence signal was read on Envision.
3066	1	Inhibition Assay	HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a baculovirus expression system in Sf9 cells. An acetylated fluorogenic peptide, RHKKAc, derived from residues 379-382 of p53 was used as substrate. The reaction buffer was made up of 50 mM Tris-HCl pH 8.0, 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, and a final concentration of 1% DMSO. Compounds were delivered in DMSO and delivered to enzyme mixture with preincubation of 5-10 min followed by substrate addition and incubation for 2 h at 30° C. Trichostatin A and developer were added to quench the reaction and generate fluorescence, respectively. Dose-response curves were generated starting at 30 &#956;M compound with three-fold serial dilutions to generate a 10-dose plot. IC50 values were then generated from the resulting plots, and the values expressed are the average of duplicate trials±standard deviation.
3069	1	Biochemical Kinase Assay	BTK activity was determined using Invitrogen&#39;s SelectScreen Biochemical Kinase Profiling Service using the Z&#8242;-LYTE Screening Protocol and Assay Conditions (ATP concentration at Km).
3071	1	Inhibition Assay	Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 peptide substrate (KinaseGlo). For description of the methods and assays, see WO 2011/094628, incorporated by reference herein. Similar to TgCDPK1, exogenous calcium was necessary for CpCDPK1 to possess maximum catalytic activity (data not shown). Notably, both kinases were tested at the same ATP concentration which allows direct comparison of inhibitor potencies due to these enzymes possessing similar Kms for this cofactor. 
3078	1	Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
3082	1	Radioligand Binding	Rat:HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1&#8242;000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of [H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
3082	2	Radioligand Binding	Mouse:HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, heat inactivated for 30 min at 56° C.), penicillin/streptomycin (1%), and 375 &#956;g/ml geneticin (Gibco). Cells were released from culture flasks using trypsin/EDTA, harvested, washed twice with ice-cold PBS (without Ca2+ and Mg2+), pelleted at 1&#8242;000 rpm for 5 min at 4° C., frozen and stored at &#8722;80° C. Frozen pellets were suspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 10 mM EDTA and homogenized with a Polytron (PT 6000, Kinematica) at 14,000 rpm for 20 s. The homogenate was centrifuged at 48,000×g for 30 min at 4° C. Subsequently, the supernatant was removed and discarded, and the pellet resuspended in 20 ml HEPES-NaOH (20 mM, pH 7.4) containing 0.1 mM EDTA using the Polytron (20 s at 14,000 rpm). This procedure was repeated and the final pellet resuspended in HEPES-NaOH containing 0.1 mM EDTA and homogenized using the Polytron. Typically, aliquots of 2 ml membrane portions were stored at &#8722;80° C. With each new membrane batch the dissociation constant (Kd) was determined via a saturation curve. The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 60 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the radioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
3084	1	TR-FRET Assay (BD1: amino acids K57-E168)	Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) to yield 3× working solutions. Six microliters (&#956;L) of the working solution was then transferred to white, low-volume assay plates (Costar #3673). A 1.5× assay mixture containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and the Alexa-647-conjugated probe molecule was also prepared. Twelve &#956;L of this solution were added to the assay plate to reach a final volume of 18 &#956;L. The final concentration of 1× assay buffer contains 2% DMSO, 50 &#956;M-0.85 nM compound, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively). After a one-hour incubation at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
3084	2	TR-FRET Assay (BD2: amino acids E352-E168)	Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) to yield 3× working solutions. Six microliters (&#956;L) of the working solution was then transferred to white, low-volume assay plates (Costar #3673). A 1.5× assay mixture containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and the Alexa-647-conjugated probe molecule was also prepared. Twelve &#956;L of this solution were added to the assay plate to reach a final volume of 18 &#956;L. The final concentration of 1× assay buffer contains 2% DMSO, 50 &#956;M-0.85 nM compound, 8 nM His-tagged bromodomain, 1 nM Europium-conjugated anti-His-tag antibody and 100 nM or 30 nM probe (for BDI or BDII, respectively). After a one-hour incubation at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
3085	1	Biochemical HTRF Assay 	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, Tyk2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer #PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (&#955;ex=337 nm, &#955;em=665 and 615 nm, TRF delay time=20 &#956;s). HTRF signal=10,000*665 nm reading/615 nm reading. 
3087	1	Biochemical HTRF Assay	The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and TYK2 was measured using a recombinant purified GST-tagged catalytic domain for each enzyme (Invitrogen JAK1 #M4290, JAK2 #M4290, JAK3 #M4290, TYK2 #M4290) in an HTRF format biochemical assay. The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (Greiner #781076) using a Labcyte Echo 555 acoustic dispenser. Subsequent reagent additions employed an Agilent Bravo. Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer # PV3189, 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at room temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at room temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (streptavidin-Dylight 650 (Thermo #84547B/100 mL), Eu-tagged pY20 antibody (Perkin Elmer #AD0067), EDTA, HEPES, and Triton) was added to quench the reaction. Plates were shaken and centrifuged and then incubated 60 minutes at room temperature and then read on a Perkin Elmer Envision (&#955;ex=337 nm, &#955;em=665 and 615 nm, TRF delay time=20 &#956;s). HTRF signal=10,000*665 nm reading/615 nm reading. After normalization to untreated controls, the percent inhibition of the HTRF signal at each compound concentration was calculated.
3092	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
3093	1	Kinase Enzymatic Assay	Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic phosphorylation of a peptide results in a change in net charge, enabling electrophoretic separation of product from substrate. As substrate and product are separated, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured, reflecting enzyme activity. In the presence of an inhibitor, the ratio between product and substrate is altered. The signal of the product decreases, while the signal of the substrate increases.For the measurement of CDK2/cyclinE activity, enzyme (0.22 nM) was incubated with 100 mM ATP and the phosphoacceptor substrate peptide (1 mM) for one hour. For the measurement of CDK4/CyclinD activity, enzyme (0.85 nM) was incubated with 200 mM ATP and the phosphoacceptor substrate peptide (1 mM) for three hours. Potential inhibitor compounds (as HCl salts) were tested using 12-point dose response curves in single point at the Km for ATP. 
3095	1	[3H]-AEA Cellular Uptake	Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 laboratory workstation. First, required amounts of U937 cells were centrifuged at 100×g for 5 min and resuspended in RPMI (37° C.) to a final concentration of 2×106 cells/mL. Then, 250 &#956;L of cell suspension (0.5×106 cells per sample) were transferred into AquaSil silanized glass vials (Chromacol 1.1-MTV) in 96-well format. After addition of 5 &#956;L vehicle (DMSO) or compounds the cells were incubated at 37° C. for 15 min. As positive controls OMDM-2 and UCM707 were used at 10 &#956;M in each run. The ETI-T compounds were measured at up to 7 concentrations in triplicates from 100 pM-100 &#956;M. After pre-incubation, a mixture of 0.5 nM[ethanolamine-1-3H]-AEA, (60 Ci/mmol) and 99.5 nM of cold AEA (final 100 nM) was added and samples were incubated at 37° C. for another 15 min. The reaction was stopped by rapid filtration over UniFilter-96 GF/C filters (PerkinElmer) pre-soaked with PBS 0.25% BSA. Cells were washed three times with 100 &#956;L ice-cold PBS buffer containing 1% fatty acid free BSA. After drying, 45 &#956;L MicroScint 20 scintillation cocktail (PerkinElmer, Waltham, Mass., US) was added to the wells and the plate was sealed. Radioactivity was measured by liquid scintillation counting on a PerkinElmer Wallac Trilux MicroBeta 1450 during 2 min. Non-specific binding of [3H]AEA (100 nM) to the glass vials was never higher than 10%. IC50 values were calculated by GraphPad by non-linear regression using the built-in log(inhibitor) vs. response-variable slope (four parameters) function.
3095	2	FAAH Activity	Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Biochem Biophys Res Commun, 264, 316-20; Mor et al., 2004, J Med Chem, 47, 4998-5008). Protein amounts of cell homogenates corresponded to 0.5×106 cells (U937), to assure best possible comparability of IC50 values as used for the AEA cellular uptake assays. URB597 was used as positive control. Protein quantification was performed using a BCA assay (Thermo Scientific). Enzyme activity was assessed by addition of vehicle or compounds in 10 &#956;L DMSO to 490 &#956;L homogenate in 10 mM Tris HCl, 1 mM EDTA, 0.1% (w/v) BSA fatty acid free, pH=8 and incubation for 15 min at 37° C. After, a mixture of AEA plus [ethanolamine-1-3H]-AEA (0.5 nM) at final 100 nM was added to the homogenates and incubated for 15 min at 37° C. The reaction was stopped by addition of 1 mL ice-cold CHCl3:MeOH (1:1) followed by vigorous vortexing. Phase separation was achieved by centrifugation at 10&#8242;000×g at 4° C. for 10 min. Radioactivity of the separated aqueous phase (upper phase) containing [3H-ethanolamine] or [3H-glycerol] was measured by liquid scintillation counting on a Tri-Carb 2100 TR liquid scintillation analyzer after addition of 3.5 mL Ultima Gold scintillation cocktail (PerkinElmer Life Sciences). Results are expressed as hydrolysis of tritium substrate in percent of vehicle treated control. IC50 values were calculated by GraphPad . Data are reported as means of n=3 independent experiments performed in triplicates.
3102	1	LSD1 Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). Compounds having an IC50 of 1 &#956;M or less were considered active.
3106	1	Radioligand Binding Assay	Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM HEPES, pH 7.4, 5 mM MgCl2, 0.2% BSA) to a final assay concentration of 0.6 &#956;g protein per well. Saturation isotherms were determined by the addition of various concentrations of 3H-telcagepant (Ho et al, The Lancet, 2008, 372, 2115) (in a total reaction volume of 250 &#956;L) for 60 min at rt. At the end of the incubation, membranes were filtered onto a unifilter, a 96-well white microplate with bonded GF/B filter pre-incubated with 0.5% PEI, with a Tomtec cell harvester and washed 5 times with distilled water. Non-specific binding (NSB) was measured in the presence of 10 nM MK-3207 hydrochloride (CAS No. 957116-20-0). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For inhibition experiments, membranes were incubated with 0.5 nM 3H-telcagepant and 10 concentrations of the inhibitory compound (0.001-10 &#956;M). IC50 values were derived from the inhibition curve and the affinity constant (Ki) values were calculated using the Cheng-Prussoff equation (Cheng et al, Biochem. Pharmacol. 1973, 22, 3099-3108). The pKi values (where pKi=&#8722;log10 Ki) of certain compounds of the invention are tabulated below.
3108	1	Assay on In Vitro Enzyme-Inhibiting Activity	Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples.Control agent: CO-1686, the structure of which can be found in the Background Art, prepared by the inventors (please refer to Patent WO2012061299A1 for the preparation methods).The meanings represented by the abbreviations in the experiments are described as follows.EDTA: eathylene diamine tetraacetic acidDMSO: dimethyl sulfoxideSD: standard deviationFAM: carboxyfluoresceinBrij-35: polyethylene glycol dodecyl etherHEPES: N-2-hydroxyethylpiperazine-N&#8242;-2-ethanesulfonic acidDTT: dithiothreitolExperimental method: the compounds were screened in the presence of Km ATP by Mobility Shift Assay using the kinases EGFR and EGFR_T790M.1. Preparation of Reagents(1) 1-fold kinase buffer for detecting the kinases wild-type EGFR (WT EGFR or WT for short), EGFR (d746-750) (d746-750 for short), EGFR (d746-750)-T790M ((d746-750)-T790M for short): 50 mM HEPES (pH 7.5), 0.0015% Brij-35, 10 mM MgCl2, 10 mM MnCl2, and 2 mM DTT;(2) 1-fold kinase buffer for detecting the kinases EGFR T790M (T790M for short), EGFR L858R (L858R for short), EGFR T790M-L858R (T790M-L858R for short): 50 mM HEPES (pH 7.5), 0.0015% Brij-35, 5 mM MgCl2, and 2 mM DTT.(3) Stop Solution100 mM HEPES (pH 7.5), 0.015% Brij-35, 0.2% Coating Reagent #3, and 50 mM EDTA2. Preparation of a Compound Solution(1) To the second well of a 96-well plate, 5 &#956;L 10 mM compound (dissolved in DMSO) was added, and 95 &#956;L 100% DMSO was added to prepare 100 &#956;L 0.5 mM compound.(2) To other wells, 60 &#956;L 100% DMSO was added. 20 &#956;L compound from the second well was added to the third well, and 4-fold dilution was further performed to get 10 diluted concentrations.(3) To the first well and the twelfth well of the 96-well plate, 100 &#956;L 100% DMSO was separately added, and the two wells were used as control wells.(4) 10 &#956;L from each well of the 96-well plate was added to another 96-well plate, and 90 &#956;L 1-fold kinase buffer was added.(5) 5 &#956;L from the 96-well plate was added to another 384-well plate, for example, transferred from A1 well of the 96-well plate to A1 and A2 wells of the 384-well plate, and transferred from A2 well of the 96-well plate to A3 and A4 wells of the 384-well plate, and so on.3. Kinase reaction(1) Preparation of 2.5-fold enzyme solutionKinase was added to 1-fold kinase buffer to form 2.5-fold enzyme solution.(2) Preparation of 2.5-fold substrate solutionFAM-tagged polypeptide and ATP were added to 1-fold kinase buffer to form 2.5-fold substrate solution.(3) Addition of 2.5-fold enzyme solution to 384-well plateTo 384-well plate, 10 &#956;L 2.5-fold enzyme solution was added, and incubated at room temperature for 10 min.(4) Addition of 2.5-fold substrate solution to 384-well plateTo 384-well plate, 10 &#956;L 2.5-fold substrate solution was added.(5) Kinase reaction and stopAfter incubation at 28° C. for a period of time (depending on kinase), 25 &#956;L stop solution was added.4. Data on percent conversion was read by Caliper.5. Data analysis(1) Data on enzyme activity was obtained by Caliper program;(2) Inhibition rate of enzyme activity was calculated from the data on enzyme activity by the following formula: Inhibition rate(%)=(maximal value&#8722;the measured value of a test compound)/(maximal value-minimal value)×100,wherein, the maximal value represents the measured value of DMSO control; and the minimal value represents the measured value of blank control.(3) Calculation of IC50 value by XLFit excel.
3111	1	Measurement of TrkA Kinase-Inhibiting Activity Using Human TrkA-Expressing Cells	On the day before the assay, CellSenser TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 &#956;g/mL streptomycin (Invitrogen))) and plated at a density of 2.4×104 cells/40 &#956;L/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 &#956;L/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-fold concentration (DMSO concentration: 1%). To the plate where cells were plated was added the present compound at 5 &#956;L/well and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 30 minutes. For a control and a blank, the assay medium containing 1% DMSO was added at 5 &#956;L/well in place of the solution of the present compound. Subsequently the assay medium containing NGF (Mouse 2.5 s, Natural, Invitrogen) was added to the plate at 5 &#956;L/well (final concentration of NGF: 50 ng/ml) and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 5 hours. For the blank group, the assay medium was added in place of NGF at 5 &#956;L/well. A reporter assay detection reagent (10 &#956;L/well) was added to the plate which was then incubated in the dark at room temperature for 120 minutes. The reporter assay detection reagent was prepared from LiveBLAzer -FRET B/G Loading Kit (Invitrogen). On the Analyst GT (Molecular Devices Japan, K.K.) the wells were irradiated with excitation light at 405 nm and the fluorescence intensities at 460 nm and 530 nm were measured.
3113	1	Inhibition Assay of BTK Kinase Activity	The enzyme reaction mixture of BTK wild type standard HTRF assay contained 1 nM BTK wild type, 1 &#956;M biotin-TK1 peptide, and 30 &#956;M ATP in a buffer. The enzyme reaction were carried out at room temperature for 60 minutes. 5 &#956;l of 0.2 M EDTA were added to quench the reaction and then the inhibitors (5 &#956;l) were added at final concentrations of 2 nM antibody and 62.5 nM XL665. The plates were incubated at room temperature for 60 minutes and then read in the Envision plate reader. The readouts were transformed into inhibition rate % by the equation of (Min Ratio)/(Max&#8722;Min)*100%. Hence the IC50 data of test compounds were generated by using four parameters curve fitting.
3117	1	Antagonist Activity for AR	Antagonist activity for AR was evaluated according to the following method. COS-7 cells (ATCC) were transfected with pMMTV-luc vector (reporter plasmid having, as an androgen response element, murine mouse mammary virus long terminal repeat) and pEX-hAR vector (human androgen receptor expression vector: which expresses human AR gene under control of CMV promoter) by using Nucleofector (registered trademark) Kit R (Lonza) as a transfection reagent and Amaxa (Lonza). The COS-7 cells obtained after transfection were seeded in a clear bottom 96 well microplate (BD) at 1.5×104/well with phenol red free RPMI1640 containing 10% charcoal-treated fetal bovine serum (hereinbelow, DCC-FBS) (hereinbelow, the medium is referred to as an evaluation medium), and then cultured overnight. The culture was added with the evaluation medium containing dihydrotestosterone (DHT) (final concentration of DHT: 1 nmol/L) or the evaluation medium containing the compound of Examples or the compound of Comparative Examples (final concentration of the compound of Examples or the compound of Comparative Examples: 5, 14, 41, 123, 370, 1111, 3333, or 10000 nmol/L), followed by culture for 24 hours. Then, the transcription activity value was measured. The transcription activity was measured by using Bright-Glo Luciferase Assay System (Promega). From the measured transcription activity, 50% transcription activity inhibition concentration (IC50 value) was calculated by logistic regression when the transcription activity value obtained by using 1 nmol/L DHT was 100% and the transcription activity value obtained by using the evaluation medium only was 0%.
3118	1	Biological Assays	5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to the other half of the plate as a control. Plates were return to the incubator for 24 hrs. Plates were removed from the incubator and placed on the bench for 30 min and then 25 uL of Cell Titer Glo were added per well. Plates were placed on a rocker and then read on a luminometer. 5000 MDA-MB-231 cells were plated per well. Compound was added and 4 hrs later, TRAIL was added at 5 ng/mL; RPMI was added for a minus TRAIL control. Plates were incubated an additional 24 hrs, removed to the bench for 30 min. and then 25 uL of cell titer glo was added per well. Plates were placed on a rocker and read on a luminometer. Data were fit using PRISM.
3120	1	Biochemical Assay for LSD1 Activity (15 minutes)	LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions were performed for either 15 minutes at room temperature in a 10-&#956;L volume. Five microliters of 800 nM biotinylated H3K4me1 peptide solution was added to each well of a black 384 well Proxiplate containing 80 nL compound (final concentration of 0.8% DMSO). Reactions were initiated by the addition of a mixture containing 20 nM LSD1 and 20 nM FAD (5 &#956;L). Enzyme activity was stopped by the addition of 5 &#956;L of high salt buffer consisting of 50 mM HEPES pH 7.4, 1.5 M NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. Capture of the product peptide by the anti-H3K4me0 antibody and Streptavidin APC was allowed to proceed for 60 mM at room temperature before measuring the TR-FRET signal. Europium-labeled antibody and Streptavidin APC were used at final concentrations of 0.003 nM and 100 nM, respectively (total assay volume of 20 &#956;L). Plates were read on a Perkin Elmer EnVision. Percent inhibition was calculated using Max (no inhibitor) and Min (quenched with stop buffer) controls and inhibition curves plotted to determine IC50 values.
3120	2	Biochemical Assay for LSD1 Activity (50 minutes)	LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions were performed for either 50 minutes at room temperature in a 10-&#956;L volume. Five microliters of 800 nM biotinylated H3K4me1 peptide solution was added to each well of a black 384 well Proxiplate containing 80 nL compound (final concentration of 0.8% DMSO). Reactions were initiated by the addition of a mixture containing 20 nM LSD1 and 20 nM FAD (5 &#956;L). Enzyme activity was stopped by the addition of 5 &#956;L of high salt buffer consisting of 50 mM HEPES pH 7.4, 1.5 M NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. Capture of the product peptide by the anti-H3K4me0 antibody and Streptavidin APC was allowed to proceed for 60 mM at room temperature before measuring the TR-FRET signal. Europium-labeled antibody and Streptavidin APC were used at final concentrations of 0.003 nM and 100 nM, respectively (total assay volume of 20 &#956;L). Plates were read on a Perkin Elmer EnVision. Percent inhibition was calculated using Max (no inhibitor) and Min (quenched with stop buffer) controls and inhibition curves plotted to determine IC50 values.
3122	1	FLIPR assay	Biological activity of compounds according to Formula I is set forth in Table 7 below. CHO-G&#945;16 cells stably expressing FPR2 were cultured in (F12, 10% FBS, 1% PSA, 400 &#956;g/ml geneticin and 50 &#956;g/ml hygromycin). In general, the day before the experiment, 18,000 cells/well were plated in a 384-well clear bottom poly-D-lysine coated plate. The following day the screening compound-induced calcium activity was assayed on the FLIPRTetra. The drug plates were prepared in 384-well microplates using the EP3 and the MultiPROBE robotic liquid handling systems. Compounds were tested at concentrations ranging from 0.61 to 10,000 nM.
3126	1	RORgamma Gal4 Reporter Gene Assay (FRET)	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to ROR&#947; was performed as follows: DNA encoding three different ROR&#947; protein fragments was cloned into vector pCMV-BD (Stratagene). Expression was under control of a CMV promoter and as fusion to the DNA-binding domain of the yeast protein GAL4. The amino acid boundaries of the three proteins and the respective database entries are listed in Table 2. Other vectors used were pFR-Luc (Stratagene) as regulated reporter plasmid. pFR-Luc contains a synthetic promoter with five tandem repeats of the yeast GAL4 binding sites that control expression of the Photinus pyralis (American firefly) luciferase gene. In order to improve experimental accuracy the plasmid pRL-CMV was cotransfected. pRL-CMV contains the constitutive CMV promoter, controlling the expression of the Renilla reniformis luciferase. All Gal4 reporter gene assays were done in 293T cells (DSMZ (German Collection of Microorganisms and Cell Cultures), Braunschweig, Germany, ACC635) grown in Minimum Essential Medium (MEM) with Phenol Red. The medium is supplemented with 10% fetal bovine serum, 0.1 mM nonessential amino acids, 1 mM sodium pyruvate, 1% Glutamax and 100 units Penicilin/Streptavidin per mL at 37° C. in 5% CO2.For the assay, 5×105 cells were plated per well in 96 well plates in 100 &#956;L per well, incubated over night at 37° C. in 5% CO2. The following day, medium was discarded and the cells were transiently transfected using 20 &#956;L per well of a OptiMEM PEI-based transfection-reagent (Sigma-Aldrich, 408727) including the three plasmids described above. About 4 h after addition of the transfection solution, fresh Minimal Essential Medium (MEM, same composition as used for plating cells, but without serum) was added. Then compound stocks, prediluted in MEM (same composition as used for plating cells) were added (final vehicle concentration not exceeding 0.1%).Cells were incubated for additional 16 h before firefly (FF) and renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282:158). All experiments were done at least in triplicates.Applying the Gal4 reporter gene assay as described above, the Examples of the present invention usually have an inhibition activity (IC50 FF resp. IC50 RENnorm) ranging from below 10 nM to about 20 &#956;M, and typically, from about 10 nM to about 1 &#956;M. The ROR&#947; modulating compounds of the invention desirably have an inhibition in the Gal4 reporter gene assay ranging from below 10 nM to about 1 &#956;M. Table 3 list the pIC50-value of typical examples of compounds of the invention that have an ROR&#947; activity in the Gal4 reporter gene assay for firefly (FF) and renilla normalised (RENnorm) luciferase measurements (nt=not tested). It is understood that the data illustrated below may have reasonable variation depending on the specific conditions and procedures used by the person conducting the test. The efficacy was determined in comparison to the ROR&#947;t inhibitor T0901317 (equals 100%) and the pIC50-value is underlined, when the efficacy of the compound is below 50% of the reference.
3126	2	RORgamma Gal4 Reporter Gene Assay (FF)	Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282:158). All experiments were done at least in triplicates.
3126	3	RORgamma Gal4 Reporter Gene Assay (REN)	Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282:158). All experiments were done at least in triplicates.
3128	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat#3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat#D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat#ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization. 
3130	1	Exemplary c-Kit Biochemical Assay	Assays for biochemical cell-based activity of c-kit kinase are known in the art, for example, as described in U.S. Pat. Nos. 7,498,342 and 7,846,941, the disclosures of which are hereby incorporated by reference as it relates to such assays. The c-kit (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested were dissolved in DMSO to a concentration of 20 mM. These were diluted 30 &#956;l into 120 &#956;l of DMSO (4 mM) and 1 &#956;l was added to an assay plate. These were then serially diluted 1:3 (50 &#956;l to 100 &#956;l DMSO) for a total of 8 points. Plates were prepared such that each kinase reaction is 20 &#956;l in 1× kinase buffer (50 mM HEPES, pH 7.2, 5 mM MgCl2, 5 mM MnCl2, 0.01% NP-40, 0.2% BSA), 5% DMSO and 10 gM ATP. Substrate was 100 nM biotin-(E4Y)3 (Open Source Biotech, Inc.). C-kit kinase was at 0.1 ng per sample. After incubation of the kinase reaction for 1 hour at room temperature, 5 &#956;l of donor beads (Streptavidin coated beads (Perkin Elmer Life Science) final concentration 1 &#956;g/ml) in stop buffer (50 mM EDTA in 1× kinase buffer) was added, the sample was mixed and incubated for 20 minutes at room temperature before adding 5 &#956;l of acceptor beads (PY20 coated beads (Perkin Elmer Life Science) final concentration 1 &#956;g/ml) in stop buffer. The samples were incubated for 60 minutes at room temperature and the signal per well was read on AlphaQuest reader. Phosphorylated substrate results in binding of the PY20 antibody and association of the donor and acceptor beads such that signal correlates with kinase activity. The signal vs. compound concentration was used to determine the IC50.
3130	2	Exemplary c-Kit Mutant Biochemical Assay	The c-kit mutant D816V (or kinase domain thereof) is an active kinase in AlphaScreen. IC50 values are determined with respect to inhibition of c-Kit mutant D816V kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested were dissolved in DMSO to a concentration of 20 mM. These were diluted 30 &#956;l into 120 &#956;l of DMSO (4 mM) and 1 &#956;l was added to an assay plate. These were then serially diluted 1:3 (50 &#956;l to 100 &#956;l DMSO) for a total of 8 points. Plates were prepared such that each kinase reaction is 20 &#956;l in 1× kinase buffer (25 mM HEPES, pH 7.2, 8 mM MgCl2, 2 mM MnCl2, 50 mM NaCl, 0.01% Brij, 1 mM DTT, 0.01% BSA), 5% DMSO and 10 &#956;M ATP. Substrate was 30 nM biotin-(E4Y)10 (EMD Millipore, Cat#12-440). C-kit mutant D816V kinase was at 0.75 ng per sample. After incubation of the kinase reaction for 30 minutes at room temperature, 5 &#956;l of donor beads (Streptavidin coated beads (Perkin Elmer Life Science) final concentration 7.5 &#956;g/ml) in stop buffer (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA) was added, the sample was mixed and incubated for 20 minutes at room temperature before adding 5 &#956;l of acceptor beads (PY20 coated beads (Perkin Elmer Life Science) final concentration 7.5 ug/ml) in stop buffer. The samples were incubated for 60 minutes at room temperature and the signal per well was read on EnVision reader. Phosphorylated substrate results in binding of the PY20 antibody and association of the donor and acceptor beads such that signal correlates with kinase activity.
3131	1	In Vitro Enzyme Inhibition	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock .Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4×hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
3133	1	Test for Evaluating Human MC Receptor Activation, Using Cells Expressing Human MC4, MC1, or MC3 Receptor	Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 receptor gene (GenBank Accession No.: NM_002386.3), or a human MC3 receptor gene (GenBank Accession No.: NM_019888.3) was introduced into an expression vector pcDNA 3.1/V5-His TOPO (registered trademark) (Thermo Fisher Scientific Inc.).(2) Construction of Cells Transiently Expressing Human MC ReceptorAn expression vector for a human MC4, MC1, or MC3 receptor was introduced into FreeStyle 293-F cell (Thermo Fisher Scientific Inc., product number: R790-07). For the introduction, electroporation was employed. That is, 1×107 FreeStyle 293-F cell were suspended in 80 &#956;L of an electroporation buffer (Thermo Fisher Scientific Inc., product number: B201-100), and 20 &#956;g of the expression vector was added thereto. The resultant was put into a cuvette (OC-100 Processing Assembly, MaxCyte, Inc.) and electroporated with MaxCyte SIX (registered trademark) (MaxCyte, Inc.). The cells were cultured over one day, suspended in a Cell Banker (registered trademark) 1 (JUJI FIELD Inc.), product number: BLC-1), and stored frozen until their use.(3) Measurement of Amount of cAMP ProducedMeasurement was carried out by using a LANCE (registered trademark) Ultra cAMP Kit (PerkinElmer, Inc.) in accordance with the attached instructions. That is, after dissolution in DMSO, the test compound (a final concentration of 1 pM to 30 &#956;M) diluted with an assay buffer (Hank&#39;s balanced salt solution, 5 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 0.5 mM 3-isobutyl-1-methylxanthine (IBMX), 0.1% bovine serum albumin, pH 7.4), or &#945;-MSH (Bachem Inc., a final concentration of 1 pM to 30 &#956;M) was added to OptiPlate-384 (PerkinElmer, Inc.). Furthermore, a suspension of cells transiently expressing the human MC4, MC1, or MC3 receptor prepared by using the assay buffer was added thereto at 1,000 cells/well, followed by being left to stand at room temperature for about 1 hour. Thereafter, an Eu-cAMP tracer solution and an ULight -anti-cAMP solution were added thereto, followed by being left to stand at room temperature for about 1 hour. The amount of cAMP was calculated using EnVision (registered trademark) (PerkinElmer Inc.).For the agonistic activity, an efficacy (EC50 (&#956;M)) was calculated by a non-linear regression method with a Sigmoid-Emax model, by defining the maximum reaction with &#945;-MSH as 100% and the reaction with the vehicle alone as 0%, respectively.
3133	2	Test for Evaluating Rat MC4 Receptor Activation, Using Cells Expressing Rat MC4 Receptor	Experiment Method(1) Construction of Rat MC4 Receptor-Expressing VectorA rat MC4 receptor gene (GenBank Accession No.: NM_013099.2) was introduced into an expression vector pcDNA 3.1/V5-His TOPO (registered trademark) (Thermo Fisher Scientific Inc.).(2) Construction of Cells Transiently Expressing Rat MC4 ReceptorAn expression vector for a rat MC4 receptor was introduced into FreeStyle 293-F cell (Thermo Fisher Scientific Inc.). For the introduction, electroporation was employed. That is, 1×107 FreeStyle 293-F cell were suspended in 80 &#956;L of an electroporation buffer (Thermo Fisher Scientific Inc.), and 20 &#956;g of the expression vector was added thereto. The resultant was put into a cuvette (OC-100 Processing Assembly, MaxCyte, Inc.) and electroporated with MaxCyte STX (registered trademark) (MaxCyte, Inc.). The cells were cultured over one day, suspended in a Cell Banker (registered trademark) 1 (JUJI FIELD Inc.), and stored frozen until use.(3) Measurement of Amount of cAMP ProducedMeasurement was carried out in accordance with the attached instructions, using a LANCE (registered trademark) Ultra cAMP Kit (PerkinElmer, Inc.). That is, after dissolution in DMSO, the test compound (a final concentration of 1 pM to 30 &#956;M) diluted with an assay buffer (Hank&#39;s balanced salt solution, 5 mM HEPES, 0.5 mM IBMX, 0.1% bovine serum albumin, pH 7.4), or &#945;-MSH (Bachem Inc., a final concentration of 1 pM to 30 &#956;M) was added to OptiPlate-384 (PerkinElmer, Inc.). Furthermore, a suspension of cells transiently expressing the rat MC4 receptor, that had been prepared using the assay buffer, was added thereto at 1,000 cells/well, followed by being left to stand at room temperature for about 1 hour. Thereafter, an Eu-cAMP tracer solution and an ULight -anti-cAMP solution were added thereto, followed by being left to stand at room temperature for about 1 hour. The amount of cAMP was calculated using EnVision (registered trademark) (PerkinElmer Inc.).For the agonistic activity, an efficacy (EC50 (&#956;M)) was calculated by a non-linear regression method with a Sigmoid-Emax model, by defining the maximum reaction with &#945;-MSH as 100% and the reaction with the vehicle alone as 0%, respectively.
3135	1	p38 MAPKalpha Enzyme Inhibition Assay (method 2)	The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (200 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added and the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
3135	2	c-Src and Syk Enzyme Inhibition Assay	The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M. 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
3135	3	GSK 3alpha Enzyme Inhibition Assay (method 2)	The inhibitory activities of compounds of the invention against the GSK 3&#945; enzyme isoform (Invitrogen), are evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 105 minutes at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) are then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).In all cases, the site-specific protease cleaves non-phosphorylated peptide only and eliminates the FRET signal. Phosphorylation levels of each reaction are calculated using the ratio of coumarin emission (donor) over fluorescein emission (acceptor), for which high ratios indicate high phosphorylation and low ratios indicate low phosphorylation levels. The percentage inhibition of each reaction is calculated relative to non-inhibited control and the 50% inhibitory concentration (IC50 value) is then calculated from the concentration-response curve.
3138	1	Measurement of JNK3 Enzyme Activity	First of all, after a substrate was inserted into a prepared base reaction buffer solution (20 mM Hepes (pH 75), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO), a human JNK3 enzyme was added into a prepared substrate solution and then mixed together. As the substrate, ATP (10 &#956;M) and ATF2 (3 &#956;M) were used, among which the ATP was also used as a common substrate. Then, compounds of Examples 1-18 and 25-36, which were dissolved in 100% DMSO, were inserted into an enzyme reaction solution, and then cultured at room temperature for 20 minutes. Then, 33P-ATP was inserted into the above reaction mixture solution to initiate a reaction, then cultured at room temperature for 2 hours, and then an enzyme activity was detected by means of a filter-binding method.Particularly, after each 25 &#956;l of the resulting solution was slowly spotted on P81 paper, it was inserted into a scintillation vial, and washed with 0.75% phosphoric acid four times for 10 minutes each, and with acetone once for 5 minutes. 5 ml of scintillation cocktail was inserted into the above scintillation vial and a resulting signal was read by means of a scintillation counter.
3141	1	IC50 Determination of BTK Inhibitors in ADP-Glo Kinase Biochemical Assay	1× and 2× assay buffer were made at first. BTK kinase was diluted with 1× assay buffer but substrate was diluted with 2× assay buffer. 1 ul of diluted compound was transferred into 384-well assay plate, and then 2.0 ul of enzyme solution was added, and spun at 2000 rpm for 1 min. This mixture was incubated at 24° C. for 30 mins. 2 ul of peptide substrate/ATP mixture was added into the assay plate to start the reaction. The mixture was mixed thoroughly and then the 384-well plate was spun and incubated at 24° C. for 60 mins. 5.0 ul of ADP-Glo Reagent was added to stop the kinase activity and deplete the ATP unconsumed, and the plate was mixed thoroughly and incubated at 24° C. for 40 min. Then, 10.0 ul of Kinase Detection reagent was added, and the plate was centrifuged and then kept at 24° C. for 30 min. The luminescence signal was read on Envision.
3144	1	 in vitro DltA activity assay	The assay buffer AB contained 50 mM Hepes pH8.0, 10 mM MgCl2, 50 mM KCl, 0.012% Triton-X100, 10 mM DTT and 100 nM Myelin-basic protein. The following components were added in a white polystyrene Costar plate up to a final volume of 30 &#956;L: 3 &#956;L DMSO, or inhibitor dissolved in DMSO and 27 &#956;L DltA enzyme in AB. After 30 min of pre-incubation at room temperature, 30 &#956;L of Substrates mix in AB were added in each well to a final volume of 60 &#956;L. This reaction mixture was then composed of DltA (produced in house from S. aureus, E. faecalis, E. faecium and S. agalactiae), 0.5 mM D-Alanine (Sigma), 0.5-5 &#956;M ATP (Sigma) and 0.05 u/ml inorganic pyrophosphatase (Sigma) in assay buffer. After typically 1-2 hours of incubation at room temperature (conversion rate around 30%), 30 &#956;L of the revelation mix were added to a final volume of 90 &#956;L, including the following constituents at the respective final concentrations: 10000 u/ml luciferase (Sigma), 30 &#956;M D-luciferin (Sigma), 100 &#956;M N-acetylcysteamine (Aldrich). Luminescence intensity was immediately measured on a Fluostar Optima (BMG) (excitation 360 nm, emission 520 nm) and converted into inhibition percentages. For IC50 determinations (Inhibitory Concentration 50%) the inhibitor was added at 6 to 10 different concentrations and the related inhibitions were fitted to a classical Langmuir equilibrium model using XLFIT (IDBS).
3145	1	RIPK3 HTRF Kinase Assay	The assays were performed in black 1536-well plates. The final assay volume of 2 &#956;l contained a mixture of a fluorescently labeled HTRF probe, Terbium (Tb) labeled anti-GST antibody, RIPK3, and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 50 &#956;g/mL BSA). The reaction was incubated at room temperature for 60 min. and was analyzed on an Envision plate reader.Inhibition data were calculated by comparison to background control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay is RIPK3, 1 nM; HTRF probe, 23 nM; 0.2 nM Tb anti-GST; and DMSO, 0.5%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at seven concentrations, in singlet. IC50 values were derived by non-linear regression analysis.
3146	1	Inhibition Assays of ERK	The inhibition of ERK activity by the compounds disclosed herein was determined using the Z&#8242;-LYTE kinase assay kit (Life Technologies) with a Ser/Thr 3 peptide substrate (Life Technologies) according to manufacturers&#39; instructions. The assay was run with an ERK2 enzyme (Life Technologies) concentration of 0.47 ng/&#956;L at 100 &#956;M ATP (approximately the ATP Km for ERK2). The IC50 values for the compounds were determined with 3-fold serial dilutions in duplicate. The compounds were first diluted in 1:3 dilutions in 100% DMSO at 100× the desired concentration, and then further diluted (1:25) in 20 mM HEPES buffer (Invitrogen) to make 4× solutions prior to adding to the enzyme solution. The final DMSO concentration in the assay was 1%. Final reaction volume was 20 &#956;L/well in 384-well plates. Kinase reactions were conducted or 1 hour followed by the assay development reaction (1 hour) in a 20 ul/well in a 384 well plate format.
3148	1	in vitro assay	This Example provides data on a group of structural analogues of SW033291. Data provided includes level of induction of a 15-PGDH-luciferase fusion gene reporter, recorded as % increased luciferase activity over basal level, in three colon cancer cell lines, V9m, V503, and LS174T, engineered to contain the reporter, and treated with either 2.5 uM or 7.5 uM compound (i.e., Values are recorded on a scale where 100 indicates of doubling of luciferase activity over baseline level). Also recorded is the IC50 of each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.
3149	1	HDAC Enzyme Inhibition	The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial dilutions of HDAC inhibitors were prepared in HDAC assay buffer (25 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, pH 8) in 96-well assay plates (Fisher scientific, #07-200-309) and were pre-incubated for 2 hours at room temperature in the presence of 125 &#956;g/ml BSA and purified HDAC1 (BPS Bioscience, San Diego, Calif., #50051), HDAC2 (BPS Bioscience, #50053), or HDAC3/NcoR2 (BPS Bioscience, #50003) at concentrations of 1.25, 1.32, and 0.167 &#956;g/mL, respectively. Following pre-incubation, Fluor-de-Lys substrate (Enzo Life Sciences, Plymouth Meeting, Pa., BML-KI104-0050) was added to a final concentration of 10 &#956;M and plates were further incubated for 30 minutes at room temperature. The enzymatic reaction was stopped by addition of Trichostatin A (Sigma-Aldrich, St Louis, Mo., #T8552, final concentration: 100 nM) and trypsin (MP Biomedicals, Solon, Ohio, #02101179) was added to reach a final concentration of 100 &#956;g/mL. After a 15 minute incubation at room temperature, fluorescence was recorded using a Spectramax M2 fluorometer (Molecular Devices, Sunnyvale, Calif.) with excitation at 365 nm and emission at 460 nm. IC50 values were calculated by using a sigmoidal dose-response (variable slope) equation in GraphPad Prism 5 for Windows (GraphPad Software, La Jolla, Calif.).
3152	1	Human Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC5o values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
3156	1	Inhibition Assay	The compounds were then tested using full-length human recombinant, purified EYA3 and pNPP as a substrate. Compounds were dissolved in DMSO and diluted as needed. IC50 values were determined by adding varying amounts of inhibitor (0-400 &#956;M) to reaction mixtures containing 20 mM MES pH 6, 2 mM MgCl2, 2% DMSO, 3.4 mM pNPP, and 0.01 &#956;g/&#956;L enzyme. Reactions were incubated at 30&deg; C. for 30 minutes and quenched with 100 mM EDTA pH 10. IC50 values were then calculated directly from regression curves using PRISM software. All reported values are the mean of two independent experiments.
3158	1	In Vitro Receptor Binding Activity Screening Assay	Reagents:HEK-blue hTLR7 cell and HEK-blue hTLR8 cell (available from InvivoGen)DMEM mediumheat inactivated fetal bovine serumAnti Mycoplasma reagent Normocin bleomycinblasticidinScheme:1. Preparation of 96-well compound plate:The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were diluted (2nd column to 11th column, and each point was duplicated). At 12th column, 1 &#956;L of 5 mg/mL positive compound R848 was added as positive control; and at 1st column, 1 &#956;L of DMSO was added as negative control. Each well contained 1 &#956;L of DMSO.2. The cells in culture flask were collected and the cell density was diluted to 250,000 cells/mL.3. 200 &#956;L (50,000 cells/well) of cell suspension was added into prepared compound plate and the final concentration of DMSO in each well was 0.5%.4. The culture plates containing cells and the compounds were incubated in CO2 incubator for 24 h at 37° C., 5% CO2.5. After 24 h incubation, 20 &#956;L of supernatant was removed from each well to a 96-well transparent assay plate. To each well of the assay plate was added 180 &#956;L of Quanti-Blue reagent and the plate was incubated in an incubator at 37° C., 5% CO2 for 1 h.6. After 1 h, the content of alkaline phosphatase in 20 &#956;L of supernatant was determined using Microplate Reader OD650.7. EC50 of each compound was obtained with Prism software.
3161	1	Inhibition Assay	 CA INHIBITION DATA WITH UREIDOSUBSTITUTED SULFONAMIDES 
3162	1	Biological Assay	Cell Culture and plating: HEK293 cells expressing NR1/NR2A (Chantest, Cleveland, Ohio) were grown to 70-80% confluency as an adherent monolayer in standard tissue culture flasks at 37° C., 5% CO2 per supplier&#39;s instructions. NR2A expression was induced by incubation with 0.3-0.4 &#956;g/ml tetracycline in the presence of 4 mM ARL-15896 for 18-24 hours under the same growth conditions, then transferred to 30° C. for another 3-5 hours.After induction, cell culture medium was removed and cells were rinsed once with Ca2+ and Mg2+-free Dulbecco&#39;s phosphate buffered saline. Cells were then removed from the flask using TrypLE Express (Life Technologies) according to the manufacturer&#39;s instructions and collected to 50 ml centrifuge tubes. Following two washes in Ca2+/Mg2+-free HBSS with 20 mM HEPES (HHnoCa), cells were counted and viability assessed using trypan blue. To load cells with Ca2+-sensitive dye, they were resuspended in fluo-8 plus Component B (AAT Bioquest Products) diluted in HHnoCa and incubated 15 minutes at 37° C., followed by 30 minutes at room temp (in dark). Cells were then washed and resuspended in HHnoCa to remove extracellular dye and plated in 384-well plates (Falcon, uncoated) at 20,000-30,000 cells/well in a final volume of 25 &#956;L/well.
3163	1	Inhibition Assay	Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percent activity remaining in the presence of the inhibitor in comparison to the solvent only control was quantified. 
3163	2	Inhibition Assay	Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at their previously determined Km values (CYP2C8: paclitaxel, 4 &#956;M; CYP2C9: diclofenac, 5 &#956;M; CYP3A4: midazolam, 0.5 &#956;M). Incubations contained 0.1 mg/mL human liver microsomes, 3 mM MgCl2, probe substrate and various concentrations of inhibitor (12-point IC50 curve) in 100 mM potassium phosphate buffer (pH 7.4). Concentrations of organic solvents were kept to <1% (v/v). All incubations were pre-incubated at 37° C. for 5 minutes prior to addition of 1 mM NADPH (final concentration). Incubations were stopped after 5 (CYP3A4) or 15 minutes (CYP2C8 and CYP2C9) with one volume (v/v) of ice-cold acetonitrile containing 0.1 &#956;M tolbutamide as an internal standard. All samples were vortexed and centrifuged prior to LC-MS/MS analysis.
3165	1	Inhibitory Assay	For the measurement of CH24H inhibitory activity, using the human CH24H lysate prepared in Experimental Example 2, the amount of 24-HC produced from cholesterol by catalytic activity of CH24H was measured in the presence of a test compound, and compared with that measured in the absence of the test compound. That is, a test compound solution at various concentrations was mixed with a reaction buffer (50 mM potassium phosphate containing 0.1% BSA and Complete, EDTA-free, pH 7.4) and human CH24H lysate. Then, [14C] cholesterol (53 mCi/mmol specific activity, 15 &#956;M) was added, and CH24H reaction was performed at 37° C. for 5 hr. After completion of the reaction, a quenching solution consisting of chloroform/methanol/distilled water (2:2:1 v/v) was added, and the resulting 24-HC was extracted by shaking. The extract was applied to silica gel thin layer chromatography (ethyl acetate:toluene=4:6), and the obtained 14C-24HC fraction was measured with BAS2500 (Fujifilm Corporation).
3166	1	Inhibition Assay	In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA, we developed the fluorogenic PEA analog N-(4-methyl coumarin)palmitamide (PAMCA), which is hydrolyzed to fluorescent 7-amino-4-methyl coumarin (AMC) and palmitic acid. For three point concentration inhibition assays with hNAAA the following procedure is used. Purified activated NAAA (final concentration of 0.25 &#956;g/mL) is incubated in assay buffer (100 mM citrate-phosphate buffer, pH 4.5, 3 mM DTT, 0.1% Triton X-100, 0.05% BSA, and 150 mM NaCl) made up to a total volume of 180 &#956;L, followed by addition of the compound dissolved in 10 &#956;L DMSO (along with DMSO neat for the control sample) with the final concentrations for each compound of 100, 10, and 1 &#956;M, in triplicate on a 96 well plate. These samples are allowed to incubate for 15 min at room temperature and then 10 &#956;L of a PAMCA stock solution in DMSO (final PAMCA concentration [5 &#956;M]) was added. After 5 minutes of agitation on a shaking plate, the reaction is allowed to proceed at 37° C. for 120 minutes, with fluorescence readings taken every 10 minutes at a wavelength of 460 nm (using an excitation wavelength of 360 nm) on a Synergy HT Plate Reader using Gen5 software from Bio-Tek. The enzyme activity is calculated by converting the relative fluorescence units to AMC formed, using a standard curve of AMC. For compounds that inhibit hNAAA in range IC50 <1 &#956;M full inhibition curves using eight different concentrations of inhibitor (8 point assay) are generated. The assay procedure used is the same as the three point assay. For ostensibly covalent compounds (as observed by a significant decrease in the slope of a plot of fluorescence vs. time in three point screen) samples are allowed to incubate for 2 hours at 37° C., instead of 15 minutes, before addition of 10 &#956;L of a PAMCA stock solution in DMSO for a final PAMCA concentration of 5 &#956;M. After 5 minutes of agitation on a shaking plate, the reaction is allowed to proceed at 37° C. for 120 minutes Inhibition constants are calculated using pro Fit software (Quantum Soft, Uetikon am See, Switzerland) and a Levenberg-Marquardt algorithm.
3167	1	Biological Assay	Determination of the Pim kinase activity of a Formula I compound is possible by a number of direct and indirect detection methods. Certain exemplary compounds described herein were assayed for their Pim kinase binding activity, including isoforms Pim-1, Pim-2, andPim-3, (Example 901) and in vitro activity against tumor cells (Example 902). Certain exemplary compounds of the invention had Pim binding activity IC50 values less than about 1 micromolar (&#956;M). Certain compounds of the invention had tumor cell-based activity EC50 values less than about 1 micromolar (&#956;M).
3168	1	Receptor Radioligand Assay	To investigate binding properties of sigma 1 receptor ligands to human sigma 1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to MultiScreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM TrisHCL (pH7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail.
3169	1	Enzyme Activity Inhibition	The carbonic anhydrase II enzyme activity inhibition was measured by measuring the esterase activity in which carbonic anhydrase II degrades 4-nitrophenyl acetate (4-NPA) (produced by Sigma-Aldrich). A purified carbonic anhydrase II solution (C6624, produced by Sigma-Aldrich) was diluted with an assay buffer (50 mM Tris-HCl (pH 7.5)) to 100 nM, and 50 &#956;L of the resulting solution was added to a 96-well plate (3695, produced by Costar) containing 40 &#956;L of the test substance. After reaction at room temperature for 10 minutes, 10 &#956;L of a 50 mM 4-NPA solution was added to each well, followed by incubation for 30 minutes at room temperature. The 50 mM 4-NPA solution was prepared by 10-fold dilution of a 500 mM 4-NPA solution, which was prepared at the time of use by dissolving the reaction product in DMSO, with the assay buffer. The absorbance at 405 nm was measured using a microplate reader (SpectraMax 250, produced by Molecular Devices). 
3173	1	[35S] GTPgammaS binding test	In a [3SS] GTP&#947;S binding test, the opioid receptor agonist activity of test compounds based on a GTP-GDP exchange reaction was evaluated. In the test, a cell membrane sample (75 &#956;g/well) was seeded in a 96-well microplate, and test compounds at various concentrations, 30 &#956;M guanosine-5&#8242;-diphosphate (GDP: Sigma-Aldrich Co., MO. USA) and 100 pM [35S] GTP&#947;S (PerkinElmer Co., Ltd.) were added thereto and the incubation was carried out at 300 rpm at 25° C. for 2 hours. After the incubation was completed, filtration was performed with a Filtermat B glass filter (PerkinElmer Co., Ltd.) which had been previously soaked in 50 mM tris-HCl (pH 7.4) at 4° C. using a FilterMate cell harvester (PerkinElmer Co., Ltd.). Following filtration, the glass filter was washed three times with 50 mM tris-HCl (pH 7.4), and then the filter was dried at 60° C. for 90 minutes using a dryer. After drying, Meltilex B/HS (Perkin Elmer Co., Ltd.) was melted and allowed to infiltrate into the glass filter on a hot plate at 90° C., and the glass filter was put into a clear film case and the case was loaded into the measuring cassette of a Microbeta 2 (PerkinElmer Co., Ltd.). The radioactivity on the glass filter was measured with the Microbeta 2 (PerkinElmer Co., Ltd.), and nonspecific binding was calculated from the difference in binding capacity between in the presence and absence of a nonradioactive ligand (10 &#956;M GTP&#947;S: Sigma-AldricH Co.). The 50% effective concentration (EC50 value) of the test compound obtained by the [35S] GTP&#947;S binding test was calculated from the S-shaped curve obtained by the test using GraphPad Prism 6 (GraphPad Software, Inc., CA, USA).
3178	1	Inhibition Assay	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 mL/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment.
3178	2	Enzyme Inhibition Assay	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 1 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as:(M t &#8722;M 0)/M water×100%in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. 
3180	1	Pharmacological Assay	AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.
3182	1	FLIPR Assay	A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in Chem1-hCCR9 overexpressing cells. hCCR9 overexpressing cells were seeded (25,000 cells/well) into black Poly-D-Lysine coated clear bottom 96-well plates (BD Biosciences, Cat #356640) and incubated overnight at 37° C./5% CO2 in a humidified incubator. Media was aspirated and cells washed twice with 100 &#956;L assay buffer (1×HBSS, 20 mM HEPES) containing 2.5 mM Probenecid. A 0.3× Fluo-4 NW calcium dye was prepared in assay buffer containing 5 mM Probenecid and stored in the dark. Each well was loaded with 100 &#956;L of 0.3× Fluo-4 NW calcium dye and incubated at 37° C./5% CO2 for 60 minutes and then at room temperature for 30 minutes. A half-log serially diluted concentration response curve was prepared at a 3× final assay concentration for each compound (10 &#956;M-0.1 nM final assay concentration) and 50 &#956;L of the compound then transferred to the cells (150 &#956;L final volume) for 60 minutes prior to stimulation (30 minutes at 37° C./5% CO2 and 30 minutes at room temperature). TECK was diluted to 4× its EC80 in assay buffer (containing 0.1% [w/v] bovine serum albumin [BSA]) and 50 &#956;L dispensed through the fluorometric imaging plate reader (FLIPR) instrument to stimulate the cells (200 &#956;L final volume). The increase in intracellular calcium levels was measured with the FLIPR instrument.
3184	1	Antagonist Activity Assay	The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X4 receptor were inoculated on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hours, and then used for intracellular calcium measurement. Fura-2 AM, which is a calcium fluorescent indicator, was used for the intracellular calcium measurement. Fura-2 AM dissolved in an assay buffer was added to the cells, the cells were left standing at room temperature for 45 minutes so that Fura-2 AM was incorporated into the cells, and then the plate was subjected to the fluorescence measurement. The treatment of the cells with each test substance was performed 15 minutes before the addition of ATP, and inflow of calcium into the cells as a response induced by the addition of ATP was measured over time by using a microplate reader. The ratio of fluorescence values obtained with excitation lights of 340 nm and 380 nm was used as an index of the change of intracellular calcium level, and the inhibition activity of the test substance was calculated on the basis of the comparison with the value obtained in the absence of the test substance (control).
3187	1	Activity Assay	The GPR40 protein activity according to the novel 3-(4-(benzyloxy)phenyl)hex-4-inoic acid derivative of the present invention was measured by investigating the changes in intracellular calcium concentration affected by the GRP40 activation. First, HEK-293 cells were transfected with human GPR40 DNA (Origene, RC218370) by using Fugene HD (Promega, E2311). The transfected HEK-293 cells were distributed in a 96-well black clear bottom floor plate (Costar, 3603), followed by culture. 24 hours later, the cell culture medium was replaced with Dulbecco&#39;s Modified Eagle Medium (DMEM, 50 &#956;l/well) supplemented with 1% fetal bovine serum (FBS). To measure the calcium concentration, 50 &#956;l of Fluo-4 reagent (Invitrogen, F10471) was added to each well, followed by culture in a 37° C. incubator for 2 hours. During the culture, the compounds of Examples and the compounds of Comparative Examples 1 and 2 were diluted with 1×HBSS (Hank&#39;s Buffered Salt Solution) containing 20 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) buffer, resulting in the preparation of the samples for treating the cells. 2 hours after the culture began, those prepared samples were automatically injected to the cells by using Flexstation 3 (Molecular Devices). Then, intracellular calcium concentration was measured for 120 seconds by using SoftMax Pro software. At this time, dimethylsulfoxide (DMSO) was injected to the cells for the non-treated group, followed by measuring the calcium concentration therein.
3189	1	Inhibitory Activity Assay	Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. 06902 USA; Pr. No. 299F) and human factor IXa (american diagnostica inc.; Pr. No. 449b). Test substances were dissolved in buffer A (50 mM &#945;,&#945;,&#945;-tris(hydroxymethyl) methylamine (Tris), 100 mM NaCl, 5 mM CaCl2, 15% (v/v) ethylene glycol, pH 8.0) were mixed with factor IXa (0.1 &#956;g/ml final concentration). The enzyme reaction was started by addition of SPECTROFLUOR FIXa (100 &#956;M final concentration). After incubation for 60 minutes at room temperature, the reaction was stopped by the addition of 20% (v/v) acetic acid solution, and then the fluorescence value was measured (Excitation Wavelength: 355 nm, Emission Wavelength; 460 nm) in a microtiter plate reader (ARVO 1420 Multilabel Counter; PerkinElmer).The IC50 was calculated from a dilution series of the test substance with the aid of the software, Symyx Assay Explorer (Symyx Technologies, Inc.).
3191	1	 In Vitro GIRK Thallium Flux Assay (2.5 minutes)	Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (GIRK) channels_ENREF_54 were grown in Growth Media containing 45% DMEM, 45% F-12, 10% FBS, 20 mM HEPES, 2 mM L-glutamine, antibiotic/antimycotic, non-essential amino acids, 700 &#956;g/ml G418, and 0.6 &#956;g/ml puromycin at 37° C. in the presence of 5% CO2. All cell culture reagents were purchased from Invitrogen Corp. (Carlsbad, Calif.) unless otherwise noted. Compound activity at the group II (mGlu2 and mGlu3) mGlus was assessed using thallium flux through GIRK channels. Briefly, cells were plated into 384-well, black-walled, clear-bottomed poly-D-lysine-coated plates at a density of 15,000 cells/20 &#956;L/well in DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 100 units/mL penicillin/streptomycin (assay media). Plated cells were incubated overnight at 37° C. in the presence of 5% CO2. The following day, the medium was exchanged from the cells to assay buffer [Hanks&#39; balanced salt solution (Invitrogen) containing 20 mM HEPES, pH 7.3] using an ELX405 microplate washer (BioTek), leaving 20 &#956;L/well, followed by the addition of 20 &#956;L/well FluoZin2-AM (330 nM final concentration) indicator dye (Invitrogen; prepared as a stock in DMSO and mixed in a 1:1 ratio with Pluronic acid F-127) in assay buffer. Cells were incubated for 1 h at room temperature, and the dye exchanged to assay buffer using an ELX405, leaving 20 &#956;L/well. Test compounds were diluted to 2 times their final desired concentration in assay buffer (0.3% DMSO final concentration). Agonists were diluted in thallium buffer [125 mM sodium bicarbonate (added fresh the morning of the experiment), 1 mM magnesium sulfate, 1.8 mM calcium sulfate, 5 mM glucose, 12 mM thallium sulfate, and 10 mM HEPES, pH 7.3] at 5 times the final concentration to be assayed. Cell plates and compound plates were loaded onto a kinetic imaging plate reader (FDSS 6000 or 7000; Hamamatsu Corporation, Bridgewater, N.J.). Appropriate baseline readings were taken (10 images at 1 Hz; excitation, 470±20 nm; emission, 540±30 nm) and test compounds were added in a 20 &#956;L volume and incubated for either 2.5 min or 60 min as indicated before the addition of 10 &#956;L of thallium buffer with or without agonist. After the addition of agonist, data were collected for approximately an additional 2.5 min. Data were analyzed using Excel (Microsoft Corp, Redmond, Wash.). The slope of the fluorescence increase beginning 5 s after thallium/agonist addition and ending 15 s after thallium/agonist addition was calculated, corrected to vehicle and maximal agonist control slope values, and plotted in using either XLfit (ID Business Solutions Ltd) or Prism software (GraphPad Software, San Diego, Calif.) to generate concentration-response curves. Potencies were calculated from fits using a four-point parameter logistic equation. For concentration-response curve experiments, compounds were serially diluted 1:3 into 10 point concentration response curves and were transferred to daughter plates using an Echo acoustic plate reformatter (Labcyte, Sunnyvale, Calif.). Test compounds were applied and followed by EC80 concentrations of glutamate.
3191	2	 In Vitro GIRK Thallium Flux Assay (60 minutes)	Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (GIRK) channels_ENREF_54 were grown in Growth Media containing 45% DMEM, 45% F-12, 10% FBS, 20 mM HEPES, 2 mM L-glutamine, antibiotic/antimycotic, non-essential amino acids, 700 &#956;g/ml G418, and 0.6 &#956;g/ml puromycin at 37° C. in the presence of 5% CO2. All cell culture reagents were purchased from Invitrogen Corp. (Carlsbad, Calif.) unless otherwise noted. Compound activity at the group II (mGlu2 and mGlu3) mGlus was assessed using thallium flux through GIRK channels. Briefly, cells were plated into 384-well, black-walled, clear-bottomed poly-D-lysine-coated plates at a density of 15,000 cells/20 &#956;L/well in DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 100 units/mL penicillin/streptomycin (assay media). Plated cells were incubated overnight at 37° C. in the presence of 5% CO2. The following day, the medium was exchanged from the cells to assay buffer [Hanks&#39; balanced salt solution (Invitrogen) containing 20 mM HEPES, pH 7.3] using an ELX405 microplate washer (BioTek), leaving 20 &#956;L/well, followed by the addition of 20 &#956;L/well FluoZin2-AM (330 nM final concentration) indicator dye (Invitrogen; prepared as a stock in DMSO and mixed in a 1:1 ratio with Pluronic acid F-127) in assay buffer. Cells were incubated for 1 h at room temperature, and the dye exchanged to assay buffer using an ELX405, leaving 20 &#956;L/well. Test compounds were diluted to 2 times their final desired concentration in assay buffer (0.3% DMSO final concentration). Agonists were diluted in thallium buffer [125 mM sodium bicarbonate (added fresh the morning of the experiment), 1 mM magnesium sulfate, 1.8 mM calcium sulfate, 5 mM glucose, 12 mM thallium sulfate, and 10 mM HEPES, pH 7.3] at 5 times the final concentration to be assayed. Cell plates and compound plates were loaded onto a kinetic imaging plate reader (FDSS 6000 or 7000; Hamamatsu Corporation, Bridgewater, N.J.). Appropriate baseline readings were taken (10 images at 1 Hz; excitation, 470±20 nm; emission, 540±30 nm) and test compounds were added in a 20 &#956;L volume and incubated for either 2.5 min or 60 min as indicated before the addition of 10 &#956;L of thallium buffer with or without agonist. After the addition of agonist, data were collected for approximately an additional 60 min. Data were analyzed using Excel (Microsoft Corp, Redmond, Wash.). The slope of the fluorescence increase beginning 5 s after thallium/agonist addition and ending 15 s after thallium/agonist addition was calculated, corrected to vehicle and maximal agonist control slope values, and plotted in using either XLfit (ID Business Solutions Ltd) or Prism software (GraphPad Software, San Diego, Calif.) to generate concentration-response curves. Potencies were calculated from fits using a four-point parameter logistic equation. For concentration-response curve experiments, compounds were serially diluted 1:3 into 10 point concentration response curves and were transferred to daughter plates using an Echo acoustic plate reformatter (Labcyte, Sunnyvale, Calif.). Test compounds were applied and followed by EC80 concentrations of glutamate.
3192	2	Radioligand Binding Assay	NK-2/NK-3: The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1-1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
3192	1	Radioligand Binding Assay	NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
3193	1	Radioligand Binding Assay	Stably transfected HEK cells expressing the human D2-long and the D3 dopamine receptor were developed using the pIRESneo2 bicistronic expression vector (Clontech, Palo Alto, Calif.). Levels of expression of human D2 and D3 dopamine receptors in HEK cells were 57, 941±14,686 fmol/mg protein and 4202±1516 fmol/mg protein, respectively. Competition curves were performed using 125I-IABN. Membrane homogenates (50 &#956;L) were suspended in 50 mM Tris-HCl/150 mM NaCl/10 mM EDTA buffer, pH 7.5 and incubated with 50 &#956;L of 125I-IABN at 37° C. for 60 min. Nonspecific binding was defined using 4 &#956;M (+)-butaclamol. The radioligand concentration used was approximately equal to the Kd value, and the concentration of the competitive inhibitor ranged over five orders of magnitude. Binding was terminated by the addition of cold wash buffer (10 mM Tris-HCl/150 mM NaCl, pH 7.4) and filtration over a glass-fiber filter (Schleicher and Schuell No. 32). Filters were washed with 10 mL of cold buffer, and the radioactivity was quantitated. A Packard Cobra gamma counter was used for 125I-labeled radioligands (efficiency=75%). The protein concentration was determined using a BCA reagent (Pierce) with bovine serum albumin as the protein standard. 
3195	1	Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
3198	1	Radioligand Binding Assay	32 &#956;g membrane proteins of CHO cell expressing human 5-HT6 receptor, 2 nM of radioactive marker [3H]LSD, a compound of the present invention having different test concentrations, 100 &#956;M 5-HT (5-HT was used to eliminate nonspecific binding sites) and a buffer solution were mixed uniformly. Then the resulting mixture was incubated at 37° C. for 120 min, in which the buffer solution comprised 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2, 0.5 mM EDTA, 10 &#956;M pargyline and 20 mg/L protease inhibitor.After incubation, the resulting mixture was filtered by a fiberglass filter (GF/B, Packard) in vacuo, and the filter membrane of the fiberglass filter was preimpregnated with 0.3% PEI before the filtering and washed with 50 mM of Tris-HCl for several times after the filtering. After the filter membrane was dried, and the radioactivity of filter membrane was determined by liquid scintillation counting by using a scintillometer (Topcount, Packard). The reference standard was 5-HT, and competitive inhibition curves were plotted based on several inhibition ratios and the corresponding compound concentrations. IC50 values were calculated by non-linear regression analysis using Hill equation curves, and the Ki values were calculated from IC50 by using the ChengPrusoff equation.
3199	1	Receptor Binding Assay 	&#956;-Opioid: Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hr at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
3200	1	FLIPR Assays	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977).For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
3202	1	Inhibition Assay	&#946;-secretase (BACE-1, Sigma-Aldrich) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (Methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl, M-2420, Bachem, Germany). The following procedure was employed: 5 &#956;L of test compounds (or DMSO, if preparing a control well) were pre-incubated with 175 &#956;L of enzyme (in 20 mM sodium acetate containing 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHAPS) 0.1% w/v) for 1 hour at rt. The substrate (3 &#956;M, final concentration) was then added and left to react for 15 minutes at 37° C. The fluorescence signal was read at &#955;em=405 nm (&#955;exc=320 nm) using a Fluoroskan Ascent. The DMSO concentration in the final mixture maintained below 5% (v/v) guaranteed no significant loss of enzyme activity. The fluorescence intensities with and without inhibitor were compared and the percent inhibition due to the presence of test compounds was calculated. The background signal was measured in control wells containing all the reagents, except BACE-1 and subtracted. The % inhibition due to the presence of increasing test compound concentration was calculated by the following expression: 100&#8722;(IFi/IFo×100) where IFi and IFo are the fluorescence intensities obtained for BACE-1 in the presence and in the absence of inhibitor, respectively. Inhibition curves were obtained by plotting the % inhibition versus the logarithm of inhibitor concentration in the assay sample, when possible. The linear regression parameters were determined and the IC50 extrapolated (GraphPad Prism 4.0, GraphPad Software Inc.). 
3202	2	Inhibition Assay	Human recombinant GSK-3&#946; was purchased from Millipore (Millipore Iberica S.A.U.) The prephosphorylated polypeptide substrate was purchased from Millipore (Millipore Iberica SAU). Kinase-Glo Luminescent Kinase Assay was obtained from Promega (Promega Biotech Iberica, SL). ATP and all other reagents were from Sigma-Aldrich. Assay buffer contained 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) (pH 7.5), 1 mM ethylenediaminetetraacetic acid (EDTA), 1 mM ethylene glycol tetraacetic acid (EGTA), and 15 mM magnesium acetate. The method developed by Baki was followed [Baki et al. Assay and Drug Development Technologies 2007, 5(1),75-83] to analyze the inhibition of GSK-3&#946;. Kinase-Glo assays were performed in assay buffer using white 96-well plates. In a typical assay, 10 &#956;L (10 &#956;M) of test compound (dissolved in DMSO at 1 mM concentration and diluted in advance in assay buffer to the desired concentration) and 10 &#956;L (20 ng) of enzyme were added to each well followed by 20 &#956;L of assay buffer containing 25 &#956;M substrate and 1 &#956;M adenosine triphosphate (ATP). The final DMSO concentration in the reaction mixture did not exceed 1%. After a 30 minutes incubation at 30° C., the enzymatic reaction was stopped with 40 &#956;L of Kinase-Glo reagent. Glow-type luminescence was recorded after 10 minutes using a Fluoroskan Ascent multimode reader.
3204	1	Binding Assay	Dopamine, D2S: Materials and Methods: Receptor Source: Human recombinant expressed in CHO cells Radioligand: [3H]Spiperone (20-60 Ci/mmol) Control Compound: Haloperidol Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 5 mM MgCl2, 1 mM EDTA for 60 minutes at 25 C. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned dopamine D2 short binding site
3204	2	Binding Assay	Serotonin, 5HT1A:Receptor Source: Human recombinant expressed in HEK-293 cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)Control Compound: 8-OH-DPATIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 10 mM MgSO4, 0.5 mM EDTA and 0.1% Ascorbic acid at room temperature for 1 hour. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned serotonin-5HT1A binding site 
3204	3	Binding Assay	Serotonin, 5HT2A :Materials and Methods:    Receptor Source: Human Cortex    Radioligand: [3H]-Ketanserin (60-90 Ci/mmol)    Control Compound: Ketanserin    Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.6) at room temperature for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the serotonin-5HT2A binding site 
3206	1	Inhibition Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and the synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 100 &#956;M.
3206	2	Kallikrein Assay	The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.2 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. The reactions were performed under linear progress curve conditions and fluorescence increase measured at 405 Ex/510 Em nm. Values were converted to percent inhibition of the control reaction (after subtracting 100% Inhibition value). IC50 was determined by inflection point from a four parameter logistic curve fit. Ki was calculated using the Cheng Prusoff equation, Ki=IC50/(1+([S]/Km)).
3207	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. 
3212	1	Lanthscreen Eu Kinase Binding Assay 	Lanthscreen Eu Kinase Binding assay for BMX is performed as described above for BTK except that 1 nM human recombinant full length TEC (His-tagged) kinase and 1 nM Alexa Fluor647-labeled Kinase Tracer #178 were used instead.Representative compounds of the present invention are assessed for inhibition of BTK, BMX, and TXK measuring phosphorylation of a substrate (Z&#8242;-LYTE assay, Life Technologies) and TEC measuring displacement of a tracer (Lanthscreen Eu Kinase Binding assay, Life Technologies).
3214	1	Binding Assay	The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.
3214	2	Enzymatic Assay	The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and colorimeric detection.
3216	1	PI3K Enzyme Assay A1	PI3-Kinase luminescent assay kit including lipid kinase substrate, D-myo-phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), biotinylated I(1,3,4,5)P4, PI(3,4,5)P3 Detector Protein, was purchased from Echelon Biosciences (Salt Lake City, Utah). AlphaScreen GST Detection Kit including donor and acceptor beads was purchased from PerkinElmer Life Sciences (Waltham, Mass.). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCb, DTT, EDTA, HEPES and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).AlphaScreen Assay for PI3K&#948;The kinase reaction was conducted in 384-well REMP plate from Thermo Fisher Scientific in a final volume of 40 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K assays were carried out at room temperature in 50 mM HEPES, pH 7.4, 5 mM MgCl2, 50 mM NaCl, 5 mM DTT and CHAPS 0.04%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 1.2 nM PI3K&#948; were incubated for 20 min. 10 &#956;L of reaction mixture was then transferred to 5 &#956;L 50 nM biotinylated I(1,3,4,5)P4 in quench buffer: 50 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 5 mM DTT, 0.1% Tween-20, followed with the addition of 10 &#956;L AlphaScreen donor and acceptor beads suspended in quench buffer containing 25 nM PI(3,4,5)P3 detector protein. The final concentration of both donor and acceptor beads is 20 mg/ml. After plate sealing, the plate was incubated in a dark location at room temperature for 2 hours. The activity of the product was determined on Fusion-alpha microplate reader (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
3216	2	PI3Kdelta Scintillation Proximity Assay A3	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
3216	3	PI3K Enzyme Assay A2	Materials: Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; were purchased from Millipore (Bedford, Mass.). ATP, MgCh, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture was prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions were initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM respectively. Reactions were incubated for 180 min and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution was then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate was prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate was aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate was air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) was then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. Compounds having and IC50 value of 10 &#956;M or less are considered active.
3218	1	PRMT5 Biochemical Assay 	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
3223	1	BTK Inhibition Assay	The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 mM NaCl, 10 mM MgCl2, 0.2 mM EDTA, 0.01% Brij35 , 1 mM DTT, and 0.1 mg/mL BSA at pH 7.3. The test compound is prepared in DMSO using 2-fold serial dilutions for 11 data points, which are added to the buffer so that each dilution contains 3% DMSO. To initiate the assay, 5 &#956;L of 3 &#956;M 5FAM-EEPLYWSFPAKKK-NH2 (in buffer), 5 &#956;L of diluted test compound (3% DMSO in buffer), and 5 &#956;L of 9 nM BTK and 150 &#956;M ATP in buffer are combined in each well. The reaction mixtures are incubated at room temperature for 60 minutes and then quenched by adding 25 &#956;L of 50 mM EDTA. To quantify the fluorescent-labeled substrate and product following reaction, the test plate is loaded on a Caliper LC-3000, which measures percent of conversion by microfluidic-based separation. Corresponding IC50 values are calculated by non-linear curve fitting of the compound concentrations and percent of inhibition to the standard IC50 equation and reported as pIC50, i.e., &#8722;log(IC50), where IC50 is molar concentration at 50% inhibition.
3225	1	JAK Enzyme Assays	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979)) modified for ATP-competitive inhibition [Ki=Ki,app/(1+[ATP]/Km,app)].
3227	1	TR-FRET ASK1 kinase assay	The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive, time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on HTRF KinEASE -STK manual from Cisbio (6.1). Test compound, 1 &#956;M STK3 peptide substrate, 4 nM of ASK1 kinase are incubated with 10 mM MOP buffer, pH. 7.0 containing 10 mM Mg-acetate, 0.025% NP-40, 1 mM DTT, 0.05% BSA and 1.5% glycerol for 30 minutes then 100 &#956;M ATP is added to start the kinase reaction and incubated for 3 hr. Peptide antibody labeled with 1×Eu3+ Cryptate buffer containing 10 mM EDTA and 125 nM Streptavidin XL665 are added to stop the reaction and phosphorylated peptide substrate is detected using Envision 2103 Multilabeled reader from PerkinElmer. The fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET level (a ratio of 665 nm/615 nm) is proportional to the phosphorylation level. Under these assay conditions, the degree of phosphorylation of peptide substrate was linear with time and concentration for the enzyme. The assay system yielded consistent results with regard to Km and specific activities for the enzyme. For inhibition experiments (IC50 values), activities were performed with constant concentrations of ATP, peptide and several fixed concentrations of inhibitors. Staurosporine, the nonselective kinase inhibitor, was used as the positive control. All enzyme activity data are reported as an average of quadruplicate determination.
3228	1	Proton Potassium-adenosine Triphosphatase (H+,K+-ATPase) Inhibitory Activity 	According to the method [Biochem. Biophys. Acta., 728, 31 (1983)] of Wallmark et al., a gastric mucous membrane microsomal fraction was prepared from the stomach of swine. First, the stomach was removed, washed with tap water, immersed in 3 mol/L brine, and the surface of the mucous membrane was wiped with a paper towel. The gastric mucous membrane was detached, chopped, and homogenized in a 0.25 mol/L saccharose solution (pH 6.8) containing 1 mmol/L EDTA and 10 mmol/L tris-hydrochloric acid using polytron (Kinematica). The obtained homogenate was centrifuged at 20,000×g for 30 min and the supernatant was centrifuged at 100,000×g for 90 min. The precipitate was suspended in 0.25 mol/L saccharose solution, superimposed on a 0.25 mol/L saccharose solution containing 7.5% Ficoll, and centrifuged at 100,000×g for 5 hr. The fraction containing the interface between the both layers was recovered, and centrifugally washed with 0.25 mol/L saccharose solution.The obtained microsomal fraction was used as a proton, potassium-adenosine triphosphatase standard product.To 40 &#956;L of a 50 mmol/L HEPES-tris buffer (5 mmol/L magnesium chloride, 10 mmol/L potassium chloride, 10 &#956;mol/L valinomycin, pH=6.5) containing 2.5 &#956;g/mL (based on the protein concentration) of the enzyme standard product was added a test compound (5 &#956;L) dissolved in a 10% aqueous dimethyl sulfoxide solution, and the mixture was incubated at 37° C. for 30 min. The enzyme reaction was started by adding 5 &#956;L of a 2 mmol/L adenosine triphosphate tris salt solution (50 mmol/L HEPES-tris buffer (5 mmol/L magnesium chloride, pH 6.5)). The enzyme reaction was carried out at 37° C. for 20 min, and 15 &#956;L of a malachite green solution (0.12% malachite green solution in sulfuric acid (2.5 mol/L), 7.5% ammonium molybdate and 11% Tween 20 were mixed at a ratio of 100:25:2) was added to quench the reaction. After allowing to stand at room temperature for 15 min, the resulting reaction product of inorganic phosphorus with malachite green was colorimetrically determined at a wavelength of 610 nm. In addition, the amount of the inorganic phosphoric acid in the reaction solution free of potassium chloride was measured in the same manner, which was subtracted from the inorganic phosphoric acid amount in the presence of potassium chloride to determine the proton, potassium-adenosine triphosphatase activity. The inhibitory rate (%) was determined from the activity value of the control and the activity values of various concentrations of the test compound, and the 50% inhibitory concentration (IC50) of the proton, potassium-adenosine triphosphatase was determined.
3229	1	In Vitro Fucosidase Inhibition	Fucosidase inhibition was assessed by preparing a reaction mixture of 50 mM phosphate-citrate pH 4.5, 5 mM MgCl2, 640 nM 4-methylumbelliferyl-alpha-L-fucopyranoside (4MU-FUC), 1 ng/mL rhFUCA1 (R&D Systems), and compound II, III, or IV. Reactions (100 &#956;L) were incubated at 37° C. for 30 minutes and then quenched with the same volume of 600 mM citrate-carbonate buffer, pH 9. Fluorescence was measured by excitation at 360 nm and emission at 450 nm.
3236	1	BRG1 TR-FRET Binding Assay	His-BRG1 (A1448-S1575; Swiss Prot P51532; mhhhhhhgslvprgsAEKLSPNPP NLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNH KYRSLNDLEKDVMLLCQNAQTFNLEGSLIYEDSIVLQSVFTSVRQKIEKEDDSEGEES SEQ ID NO:1) was cloned, expressed, and purified to homogeneity. BRG1 binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule ligand (Example 248) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, His-BRG1 (4 nM final) was combined with biotinylated-ligand (40 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody ( 6×His disclosed as SEQ ID NO: 4) (Perkin Elmer AD0110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nM antibody and 50 nM SA-APC, respectively. After sixty minutes equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
3236	2	BRM SM TR-FRET Binding Assay	Histidine epitope tagged BRM (Isoform 2) Bromodomain1377-1486 (S1377-Q1486; Swiss Prot P51531-2; mhhhhhhgslvprgsSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKEL PEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQ SVFKSARQ SEQ ID NO:2) was cloned, expressed, and purified to homogeneity. BRM-BD binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule ligand (Example 248) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, His-BRM-BD (0.3 nM final) was combined with biotinylated-ligand (30 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody ( 6×His disclosed as SEQ ID NO: 4) (Perkin Elmer AD0110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nM antibody and 50 nM SA-APC, respectively. After sixty minutes equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
3236	3	Polybromodomain-1 BromoDomain-5 (PB1-BD5) SM TR-FRET Binding Assay	Histidine-Flag-PB1-BD5 Bromodomain645-766 (S645-D766; Swiss Prot Q86U86; mhhhhhhasdykddddkgslvprgsSGISPKKSKYMTPMQQKLNEVYEAVKNYTDKRGRRLSAI FLRLPSRSELPDYYLTIKKPMDMEKIRSHMMANKYQDIDSMVEDFVMMFNNACTYNEP ESLIYKDALVLHKVLLETRRDLEGD SEQ ID NO:3) was cloned, expressed, and purified to homogeneity. PB1-BD5-BD binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule ligand (Example 248) with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate, His-Flag-PB1-BD5-BD (1 nM final) was combined with biotinylated-ligand (30 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 20 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody ( 6×His disclosed as SEQ ID NO: 4) (Perkin Elmer AD0110) and SureLight Streptavidin-Allophycocyanin (SA-APC, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nM antibody and 50 nM SA-APC, respectively. After sixty minutes equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear fit.
3239	1	Human Vanin-1 Enzyme Assay 1	The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-terminally by the honey bee melittin signal peptide, a GSG linker sequence, a His6X tag and a FLAG tag. The secreted, soluble enzyme was purified from the conditioned medium from a CHO cell line stably expressing the resulting protein. Enzyme purification was performed through sequential Ni NTA and size-exclusion chromatography steps.The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluting the inhibitors in DMSO at compound concentration 200-fold the final in-assay concentration. Intermediate concentrations were prepared by diluting in DMSO in a four-fold series for a total of 11 data points.To prepare a working solution of human vanin-1, the enzyme was diluted to 33.3 pM in the assay buffer consisting of 50 mM Tris-HCl pH=8.0, 50 mM KCl, 0.005% Brij-35 and 1.6 mM cysteamine. To begin the assay 100 nL was transferred from the compound plate to the assay plate. Next, 15 &#956;L of the vanin-1 working solution were transferred to the assay plate. The inhibitor and enzyme were incubated at room temperature for 30 minutes. The enzyme reaction was then initiated by the addition of 5 &#956;L of 200 &#956;M pantetheine 7-amino-4-trifluoromethylcoumarin prepared in assay buffer. The final concentrations in the assay were 25 pM human vanin-1 and 50 uM substrate. The final concentration of DMSO was 0.5%. The assay plates were incubated for 60 minutes and before they were read on a Perkin Elmer EnVision Model 2103 using a 405 nm excitation wavelength and a 510 nm emission wavelength for detection.
3239	2	Human Vanin-1 Enzyme Assay 2	The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-terminally by the honey bee melittin signal peptide, a GSG linker sequence, a His6X tag and a FLAG tag. The secreted, soluble enzyme was purified from the conditioned medium from a CHO cell line stably expressing the resulting protein. Enzyme purification was performed through sequential Ni NTA and size-exclusion chromatography steps.On the day of the assay, dose response plates were prepared by diluting the inhibitors in DMSO at compound concentration 100-fold the final in-assay concentration. Concentration series were prepared by serially diluting in DMSO in a half-log series for a total of 11 data points. Intermediate compound plates containing compound in 10% DMSO were then created by diluting the compounds 10-fold in assay buffer consisting of 50 mM Tris-HCl pH=8.0, 50 mM KCl, 0.005% Brij-35 and 1.5 mM cysteamine. To begin the assay 3 &#956;L were transferred from the intermediate compound plate to the assay plate.A working solution of human vanin-1 was prepared by diluting the enzyme stock to 1.25 nM in assay buffer. Next, 24 &#956;L of the vanin-1 working solution were transferred to the assay plate. The enzyme reaction was then initiated by the addition of 3 &#956;L of 100 &#956;M pantetheine 7-amino-4-trifluoromethylcoumarin prepared in assay buffer. The final concentrations in the assay were 1 nM human vanin-1 and 10 uM substrate. The final concentration of DMSO was 1%. The assay plates were incubated for 45 minutes and before they were read on a Spectramax M5 using a 405 nm excitation wavelength and a 505 nm emission wavelength for detection.
3239	3	Human Vanin-1 Enzyme Assay 3	The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-terminally by the honey bee melittin signal peptide, a GSG linker sequence, a His6X tag and a FLAG tag. The secreted, soluble enzyme was purified from the conditioned medium from a CHO cell line stably expressing the resulting protein. Enzyme purification was performed through sequential Ni NTA and size-exclusion chromatography steps.On the day of the assay, dose response plates were prepared by diluting the inhibitors in DMSO at compound concentration 100-fold the final in-assay concentration. Concentration series were prepared by serially diluting in DMSO in a two-fold series for a total of 11 data points. Intermediate compound plates containing compound in 10% DMSO were then created by diluting the compounds 10-fold in assay buffer consisting of 50 mM Tris-HCl pH=8.0, 50 mM KCl, 0.005% Brij-35 and 1.5 mM cysteamine. To begin the assay 3 &#956;L were transferred from the intermediate compound plate to the assay plate.A working solution of human vanin-1 was prepared by diluting the enzyme stock to 2.5 nM in assay buffer. Next, 24 &#956;L of the vanin-1 working solution were transferred to the assay plate. The enzyme reaction was then initiated by the addition of 3 &#956;L of 100 &#956;M pantetheine 7-amino-4-trifluoromethylcoumarin prepared in 5 uM acetic acid. The final concentrations in the assay were 2 nM human vanin-1 and 10 uM substrate. The final concentration of DMSO was 1%. The assay plates were incubated at room temperature for 15 minutes and before they were read on a Tecan Safire using a 405 nm excitation wavelength and a 505 nm emission wavelength for detection.
3241	1	Determination of Allosteric Potency EC50 Values for Muscarinic M1 Receptor	A stable CHO cell line expressing recombinant human Muscarinic M1 receptor and pCRE-Luc reporter system was used for cell-based assay. The assay offers a non-radioactive based approach to determine binding of a compound to GPCRs. In this specific assay, the level of intracellular cyclic AMP which is modulated by activation or inhibition of the receptor is measured. The recombinant cells harbor luciferase reporter gene under the control of cAMP response element.The above cells were grown in 96 well clear bottom white plates in Hams F12 medium containing 10% fetal bovine serum (FBS). Prior to the addition of compounds or standard agonist, cells were serum starved overnight. Increasing concentrations of test compounds were added along with EC20 of acetylcholine in OptiMEM medium to the cells. The incubation was continued at 37° C. in CO2 incubator for 4 hours. Medium was removed and cells were washed with phosphate buffered saline. The cells were lysed and luciferase activity was measured in a Luminometer. Luminescence units were plotted against the compound concentrations using Graphpad software. EC50 values of the compounds were defined as the concentration required in stimulating the luciferase activity by 50% in presence of EC20 of acetylcholine.
3242	1	AT2 Receptor Binding Assay	15 &#956;L of [125I]CGP 42112A, at a final concentration of 0.05 nM was added to wells of assay plate.Membranes were dispersed using a 21 gauge needle and diluted to the appropriate protein concentration in assay buffer.120 &#956;L membrane suspension (15 &#956;g protein/well) was added to wells of assay plate.Assay plates were incubated at RT for 2 h.Incubations were stopped by rapid filtration through Multiscreen GF/C plates (Millipore, cat. no. MAFCNOB50), using Multiscreen HTS vacuum manifold (Millipore, cat. no. MSVMHTS00) after pre-wetting filters with wash buffer.Filters were washed five times with ice-cold wash buffer.Filters were dried at RT.50 &#956;L MicroScint 40 was added to each well.Bound 125I was determined using MicroBeta scintillation counter in Trilux mode, for 1 min per well.
3244	1	Bub1 Kinase Assay	Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRET) kinase assay which measures phosphorylation of the synthetic peptide Biotin-Ahx-VLLPKKSFAEPG (SEQ ID No. 1) (C-terminus in amide form), purchased from e.g. Biosyntan (Berlin, Germany) by the (recombinant) catalytic domain of human Bub1 (amino acids 704-1085), expressed in Hi5 insect cells with an N-terminal His6-tag and purified by affinity-(Ni-NTA) and size exclusion chromatography.In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nl of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;L of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 ng/mL were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;L 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;L final volume) was incubated at 22° C. during 60 min. and the reaction w as stopped by the addition of 5 &#956;L of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-002] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, alternatively a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]). The stopped reaction mixture was further incubated 1 h at 22° C. in order to allow the formation of complexes between peptides and detection reagents. Subsequently, the amount of product was evaluated by measurement of the resonance energy transfer from the Eu-chelate-antibody complex recognizing the Phosphoserine residue to the streptavidin-XL665 bound to the biotin moiety of the peptide. To this end, the fluorescence emissions at 620 nm and 665 nm after excitation at 330-350 nm were measured in a TR-FRET plate reader, e.g. a Rubystar or Pherastar (both from BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer) and the ratio of the emissions (665 nm/622 nm) was taken as indicator for the amount of phosphorylated substrate. The data were normalised using two sets of control wells for high&#8722;(=enzyme reaction without inhibitor=0%=Minimum inhibition) and low&#8722;(=all assay components without enzyme=100%=Maximum inhibition) Bub1 activity. IC50 values were calculated by fitting the normalized inhibition data to a 4-parameter logistic equation (Minimum, Maximum, IC50, Hill; Y=Max+(Min&#8722;Max)/(1+(X/IC50)Hill)).
3249	1	IRAK4 Kinase Assay	For the assay, 11 different concentrations in the range from 20 &#956;M to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of IRAK4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 &#956;M activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 &#956;l of assay volume: 1 mM) and peptide substrate (0.83 &#956;M=final concentration in 5 &#956;l assay volume: 0.5 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the IRAK4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 &#956;l of a solution of TR-FRET detection reagents [0.1 &#956;M streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, STK Antibody , catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).The resulting mixture was incubated at 22° C. for 1 h to allow formation of a complex of the biotinylated phosphorylated substrate and the detection reagents. The amount of the phosphorylated substrate was then evaluated by measuring the resonance energy transfer from europium chelate-labelled anti-mouse-IgG antibody to streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm were measured after excitation at 350 nm in a TR-FRET measuring instrument, for example a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and 622 nm was taken as a measure of the amount of phosphorylated substrate. The data were normalized (enzyme reaction without test substance=0% inhibition; all other assay components but no enzyme=100% inhibition). Typically, the test substances were tested on the same microtitre plates at 11 different concentrations in the range from 20 &#956;M to 0.073 nM (20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 11 nM, 3.1 nM, 0.89 nM, 0.25 nM and 0.073 nM). The dilution series were prepared prior to the assay (2 mM to 7.3 nM in 100% DMSO) by serial dilutions. The IC50 values were calculated by a 4-parameter fit.
3250	1	BIOLOGICAL ASSAY	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
3252	1	Measurement of DGAT1 Inhibitory Activity	As a buffer used for the enzymatic reaction of DGAT1, 100 mM Tris-HCl (pH7.4), 200 mM Sucrose, and 20 mM MgCl2, 0.125% Bovin Serum Albumin (BSA) were used. To this buffer, a test compound with predetermined concentration of test compound, 15 &#956;M dioleylglycerol, 5 &#956;M [14C]-palmitoyl-CoA, 100 &#956;g-protein/mL, highly DGAT1-expressing expresSF+ microsome, 0.75% acetone, and 1% dimethylsulfoxide were added, and a triglyceride (TG) synthesis reaction in a volume of 100 &#956;L was carried out at 30° C. for 20 minutes. 90 &#956;L of the reaction solution was added to 810 &#956;L of methanol to cease the reaction. The reaction solution was added to Oasis &#956; Elution plate (Waters) and eluted with 150 &#956;L of mixture of acetonitrile:isopropanol (=2:3). 150 &#956;L of MicroScinti-40 (Perkin-Elmer Corp.) were added to the eluted solution and the mixture was sufficiently stirred, and an amount of [14C]-TG produced in the reaction was determined by measuring using TopCount-NXT (Perkin-Elmer Corp.).The inhibitory ratio was calculated by the following equation.Inhibitory ratio (%)=(1&#8722;(TG amount when the test compound was added&#8722;blank TG amount)/(control TG amount&#8722;blank TG amount))×100Here, a count of [14C]-TG in the solution where the reaction was carried out without adding the test compound was regarded control TG amount, and a count of [14C]-TG in the solution to which the test compound and highly DGAT1 expressing expresSF+ microsome were not added was regarded as blank TG amount. Further, a concentration of test compound required to inhibit the synthesis of [14C]-TG by 50% (IC50 value) was calculated by Prism 5.01 (GraphPad Softwear).
3254	1	In Vitro Enzyme Inhibition	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock .Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4×hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
3256	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 uL. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25&deg;; C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 uL was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 uL of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25deg; C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were-3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
3259	1	FLIPR assay	The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined without undue experimentation by methodology well known in the art, including the FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 &#956;M Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
3262	1	CDK7 Kinase Activity	Compounds of the invention were assayed for CDK7 activity at Life Technologies (Grand Island, N.Y.) using their commercially available Adapta kinase assay services. Test compounds were tested at concentrations ranging from 10 &#956;M down to 0.514 nM in a series of 3-fold serial dilutions. Details of this assay, including substrates used, are available on the Life Technologies web site (http://www.lifetechnologies.com/us/en/home/life-science/drug-discovery/target-and-lead-identification-and-validation/kinasebiology/kinase-activity-assays.html).
3263	1	TNF induced HEK-Blue assay	Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 &#956;M to 25&#956;M. TNF&#945; (final concentration 0.5 ng/ml) or CD4OL (final concentration 30 ng/ml) in assay buffer [DMEM, 4.5 g/l glucose (Gibco, Cat. 21063-029), 10% FBS (Sigma, F4135), 1% Penicillin-Streptomycin (Gibco, Cat. 15140-122), 1% Anti-Anti (Gibco, Cat. 15240-112) and 2 mM L-glutamine (Gibco, Cat. 25030-081)] was then added to the assay plate. After a 30 minute pre-incubation at 37° C. and 5% CO2, HEK-Blue-CD40L cells (InvivoGen, Cat. Code hkb-cd40) containing a NF-&#954;B-driven secreted alkaline phosphatase reporter gene were seeded into the assay plate at a density of 20,000 cells per well. This plate was then incubated for 18 h at 37° C. and 5% CO2. Secreted alkaline phosphatase expression was measured using QUANTI-Blue (InvivoGen, Cat. Code rep-qb1) according to manufacturer&#39;s specifications and the assay plate was read on a PerkinElmer Envision at 620 nm.
3265	1	CDK Assay	The test compound was dissolved in dimethyl sulfoxide and the solution was diluted to each concentration gradient with a buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 2 mM DTT and 0.01% Tween20) according to the test needs, the concentration of dimethyl sulfoxide was 4%. The buffer was then used to dilute ATP and the substrate ULight-4E-BP1 to prepare the mixture of 800 &#956;M ATP and 200 nM substrate for further use. 2.5 &#956;L of mixture of substrate and ATP or 2.5 &#956;L of substrate was added to the wells, and then 2.5 &#956;L of compound or 4% buffer of dimethyl sulfoxide was added, finally 5 &#956;L of enzyme (final concentration was 0.66 &#956;g/mL) was added, incubated avoiding light at room temperature for 60 minutes. 5 &#956;L of EDTA stop buffer (final concentration was 6 nM) diluted with 1×detectionbuffer (LANCEDetectionBuffer, 10×, PerkinElmer, CR97-100) was added to each well, and then 5 &#956;L of antibody (final concentration was 2 nM) diluted with 1×detectionbuffer was added, incubated avoiding light at room temperature for 60 minutes. Perkin Elmer EnVision TRFRETmode (Excitation wavelength: 320 nm, emission wavelength: 615 nm and 665 nm) was used to measure plates.
3267	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 ml for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments. The compounds of formula (I) show an excellent affinity for the CB2 receptor with affinities below 10 &#956;M, more particularly of 1 nM to 3 &#956;M and most particularly of 1 nM to 100 nM.
3268	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat#3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat# D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then carefully diluted by the addition of 5 &#956;L of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat# ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
3271	1	in vitro kinase inhibition assay	Inhibitory activity can be determined routinely using known methods and also from commercial vendors offering this service for kinases and bromodomain proteins. For example, in vitro kinase inhibition (e.g., PI3K inhibition) can be detected by a standard kinase inhibition assay using labeled ATP to determine if a test compound inhibits the transfer of phosphate from ATP to the kinase substrate. In vivo, PI3K inhibition can be determined from target tissue biopsies by standard tissue processing to disrupt cells and then performing Western Blot analysis to determine the presence or absence of pAKT (substrate of PI3K) relative to a control sample. The activity of a compound of the invention as an inhibitor of a bromodomain-containing protein, such as a BET protein, such as BRD2, BRD3, BRD4, and/or BRDT, or an isoform or mutant thereof, may be determined in vitro, in vivo, or in a cell line. In vitro assays include assays that determine inhibition of bromodomain-containing proteins. Alternatively, inhibitor binding may be determined by running a competition experiment where a provided compound is incubated with a bromodomain-containing protein, such as a BET protein bound to known ligands, labeled or unlabeled. For example, bromodomain inhibition can be determined in vitro using Alpha Screen Technology (http://www.reactionbiology.com/webapps/site/NewsPDFs/Bromodomain%20Assay%20Platform%20for%20Drug%20Screening%20and%20Discovery.pdf). In vivo bromodomain inhibition can be determined indirectly by evaluating the amount of protein present of proteins whose genes&#39; transcription is influenced or controlled by the bromodomain protein, for example, the MYCN protein transcription is controlled by BRD4 (J. E. Delmore et al., Cell 2011, 146, 904-917; A. Puissant, Cancer Discov. 2013, 3, 308-323). Bromodomain inhibition may also be predicted by in silico modeling as described below in the Examples.
3273	1	In Vitro Biochemical Evaluation	The in vitro biochemical evaluation of all compounds was carried out using recombinant human PTP4A3, overexpressed as a His6-tag fusion protein in E. coli and purified on a metal affinity column. Assays were performed using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) as an artificial substrate at 25° C. for 30 min in 40 mM Tris-HCl (pH 7.0), 75 mM NaCl, 2 mM EDTA, and 4 mM DTT buffer. The reaction was carried out in 45 &#956;L total volume per well of a black 384-well plate and initiated upon addition of DiFMUP at a final concentration of 12 &#956;M (3× the Km of PTP4A3 for DiFMUP, to ensure that the reaction velocity remained constant throughout the assay) to each well containing 1 &#956;g of full-length protein. The fluorescence was measured using a SpectraMax M5 plate reader at 358 nm excitation and 455 nm emission. Fluorescence values were used to calculate the percent inhibition of enzyme activity relative to maximal activity, PTP4A3 in the absence of inhibitor, and maximal inhibition, PTP4A3 in the presence of 2 mM Na3VO4.
3274	1	hGOAT Activity in HEK293 Cells after Incubation	Cells are plated with a density of 5000 cells/well in 384-well poly-D-lysin plates and incubated for 1 day at 37° C., 5% CO2 in DMEM medium, 10% FCS, 1×NEAA, Puromycin (0.5 &#956;g/ml) and G418 (1 mg/ml). Then the medium is changed to a identical medium without FCS and containing Octanoate-BSA (final concentration 100 &#956;M each) and compound in DMSO (final DMSO concentration 0.3%). After incubation for 5 hours acylghrelin in the medium is measured by ELISAThe medium sample is diluted 1:25 in Elisa buffer, A 25 ul aliquot is transferred to a 384-well ELISA plate previously washed 4 times with 100 &#956;L wash buffer, and 25 &#956;l tracer-solution is added. After incubation overnight ( 20 h) at 4° C. temperature the plate is washed 4 times with 100 &#956;l wash-buffer per well. Finally 50 &#956;l Ellman&#39;s reagent is added to each well and the plate is incubated in the dark for 20 minutes. The absorbance is measured at 405 nm in an Envision multilabel reader and the amount of acylated ghrelin is calculated according to a acylated ghrelin standard curve provided in the same plate.Each assay plate contains wells with vehicle controls (1% DMSO) for the measurement of non-inhibited transfer reaction (=100% Ctl) and wells with 10 &#956;M ([Dap3]-Ghrelin) as controls for fully inhibited GOAT enzymeThe analysis of the data is performed by calculation of the percentage of acyl-ghrelin produced in the presence of test compound compared to the amount of acyl-ghrelin produced in the vehicle control samples. An inhibitor of the GOAT enzyme will give values between 100% CTL (no inhibition) and 0% CTL (complete inhibition). IC50 values are calculated with Assay Explorer or other suited software based on curve fitting of results of 8 different compound concentrations.
3276	1	Alkaline Phosphatase Assay	C3H10T1/2 cells were plated in 96 wells with a density of 8×103 cells/well. Cells were grown to confluence (72 hrs). After sonic Hedgehog (250 ng/ml), and/or compound treatment, the cells were lysed in 110 &#956;L of lysis buffer (50 mm Tris ph 7.4, 0.1% tritonx100), plates were sonicated and lysates spun through 0.2 &#956;m PVDF plates (Corning). 40 &#956;L of lysates was assayed for AP activity in alkaline buffer solution (Sigma) containing 1 mg/ml p-Nitrophenyl Phosphate. After incubating for 30 min at 37° C., the plates were read on an Envision plate reader at 405 nm. Total protein was quantified with a BCA protein assay kit from Pierce according to manufacturer&#39;s instructions.
3282	1	Wnt activity assay	Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a wnt-responsive promoter driving expression of the firefly luciferase gene.Lentiviral constructs were made in which the SP5 promoter, a promoter having eight TCF/LEF binding sites derived from the SP5 promoter, is linked upstream of the firefly luciferase gene. The lentiviral constructs can also include a hygromycin resistance gene as a selectable marker. The SP5 promoter construct were used to transduce SW480 cells, a colon cancer cell line having a mutated APC gene that generates a truncated APC protein, leading to de-regulated accumulation of &#946;-catenin.Cultured SW480 cells bearing a reporter construct can be distributed at approximately 10,000 cells per well into 384 or 96 well multiwell plates. Compounds from a small molecule compound library can then be added to the wells in half-log dilutions using three or ten micromolar top concentration. A series of control wells for each cell type received only buffer and compound solvent DMSO. Twenty-four hours after the addition of compound, reporter activity for luciferase can be assayed, for example, by addition of the BrightGlo luminescence reagent (Promega) and the Victor3 plate reader (Perkin Elmer). Readings are normalized to DMSO only treated cells, and any activities above DMSO are considered activation. Compounds are considered activators if reporter activities are 2× fold or greater than DMSO. EC50 is the concentration at half maximal activation.
3283	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nmAfter a pre-incubation of the HtrA1 protease for 30 min with compounds, substrate is added to the wells and initial RFU is measured. Upon incubation for 2 hours at RT, the enzymatic activity cleaved the substrate releasing fluorescent Mca-peptide conjugate and the final RFU value is measured. The presence of inhibitors leads to a decreased final RFU. 
3284	1	In Vitro Assay	A fusion protein comprising glutathione S transferase (GST) and human IRE-1&#945; (GST-IRE-1&#945;) was obtained from a 500 ml baculovirus-infected insect cell culture and used to measure IRE-1&#945; activity in vitro.Five &#956;l of a reaction mixture comprising 1× reaction buffer (5× reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water were added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution were added to test wells. Three &#956;l of a 128 ng/ml IRE-1&#945; preparation were added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contained only reaction mixture and test compound.After spinning the plates at 1200 rpm for 30 seconds, 3 &#956;l of an IRE-1&#945; human mini-XBP-1 mRNA stem-loop substrate 5&#8242;-CAGUCCGCAGCACUG-3&#8242; (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5&#8242; end and Black Hole Quencher 2 (BH2) at the 3&#8242; end, were added to each well of a control plate. The plates were again spun at 1200 rpm for 30 seconds. Final concentrations for the assay were: 63 nM IRE-1&#945; substrate, 5.82 ng IRE-1&#945; protein, and 2.5 &#956;M test compound.
3285	1	Binding Assay	Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI accession NM_022938). Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assays using 5-carboxamido[3H]tryptamine ([3H]5-CT) (Amersham Biosciences, cat. 90000403) detection. HitHunter cAMP assays are in-vitro based competitive immunoassays. The assay was performed on the HEK-293 cell line stably transfected with r5-HT7 receptor. Cells were pre-incubated with test compounds for 10 minutes. For antagonist testing, the cells were then challenged with 100 nM 5-CT for 20 minutes. Cells were then lysed and cAMP measured according to manufacturers protocol (Amersham, cat. NET791250UC) or [3H]mesulergine (Amersham, cat. TRK1041). The assay was performed on membranes prepared from HEK-293 cells stably transfected with h5-HT6. Following centrifugation, membranes were resuspended and incubated for 60 min at room temperature with 1.7 nM [3H]LSD in the presence of increasing concentration of test compounds. Nonspecific binding was defined in the presence of 10 &#956;M clozapine (Tocris, cat. TRK1068). Homogenized HEK-293 membranes expressing the human SERT were incubated in 50 mM Tris-HCl (pH 7.5), 120 mM NaCl, 5 mM KCl with [3H]-citalopram (3 nM) with or without test compounds. Nonspecific binding was determined in the presence of 10 &#956;M fluoxetine. Radioactivity readouts and Ki values were performed as previously described for r5-HT7. 
3291	1	Enzyme Assay	p70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components were then added to the compound plate to initiate the enzyme reaction: p70S6K (3 nM, T412E mutant, Millipore) was mixed with 24 &#956;M ATP in an assay buffer containing 100 mM Hepes (pH 7.5), 5 mM MgCl2, 1 mM DTT, 0.015% Brij and 1 &#956;M of the substrate peptide FITC-AHA-AKRRRLSSLRA-OH (derived from the S6 ribosomal protein sequence, FITC=fluorescein isothiocyanate, AHA=6-aminohexanoic acid). The reaction was incubated for 90 min at 25° C., before the addition of 10 mM EDTA to stop the reaction. The proportion of substrate and product (phosphorylated) peptide was analyzed on a Caliper Life Sciences Lab Chip 3000, using a pressure of &#8722;1.4 psi, and upstream and downstream voltages of &#8722;3000 and &#8722;700, respectively. Product peaks were resolved before substrate peaks on the resulting chromatograms.
3291	2	AKT/PKB Kinase Assay	In order to measure AKT inhibition in the Caliper Life Sciences LC3000, a TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curve calculation) into each well of a 384-well plate. To this reaction, the following components were added to a final volume of 12.5 &#956;l: 0.1 ng/&#956;l His-AKT (Full Length) (Invitrogen, Part # P2999, Lot #641228C); 160 &#956;M ATP (Fluka, 02055); 1 mM DTT (Sigma, D0632); 1 mM MgCl2 (Sigma, M1028); 1 &#956;M substrate peptide (sequence FITC-AHA-GRPRTSSFAEG-NH2), synthesized by Tufts Peptide Synthesis service; 100 mM HEPES pH 7.5 (Calbiochem, 391338); and 0.015% Brij-35 (Sigma, B4184).The reaction was incubated for 90 min at 25° C., and then stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 10 mM EDTA (Sigma, E7889)). The plate was read on a Caliper LC 3000 in an Off-Chip mobility shift assay format, using the following parameters for a 12-sipper chip: screening pressure &#8722;2.3 psi, upstream voltage &#8722;500, and downstream voltage &#8722;3000. These conditions cause unphosphorylated substrate and phosphorylated product peptide to resolve as separate peaks allowing direct measurement of percentage of conversion of substrate to product. The percent conversion was plotted against concentration of inhibitor to produce a sigmoidal dose response curve, from which an IC50 was calculated.
3293	1	Biological Assay	Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1.) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule probe (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
3294	1	Inhibition Assay	Cells were split 2-3 times weekly between 1:3 and 1:4. For binding assays and membrane preparations the cell culture medium was removed, cells were washed with PBS. Crude membranes for radioligand binding experiments were prepared by scraping the cells off the dishes in ice cold 20 mM HEPES/0.1 mM KCl/pH 7.2. The cell suspension was homogenized on ice (Ultra turrax, 3×20 sec.) and the homogenate was spun for 10 min (1° C., 1000 g, OPTIMA, SW28, 2800 U/min). The supernatant was than centrifuged for 40 min at 100000 g (1° C., OPTIMA, SW28, 23000 U/min). The membrane pellet was resuspended in 20 mM HEPES/0.1 mM KCl/pH 7.2, frozen and stored at &#8722;80° C.After thawing on the day of the assay, the membrane suspension was diluted further with 20 mM HEPES/0.1 mM KCl/pH 7.2.The incubation mixture of 200 &#956;l contained 1.5 nmol/l 3H-Dofetilide, optimized amount of membrane preparation, 20 mM HEPES/0.1 mM KCl/(pH 7.2) and inhibitor in 1% DMSO. Nonspecific binding was estimated in the presence of 10 M Dofetilide. The samples were incubated for 90 min. at RT.Binding was terminated by filtration of the incubated membrane preparations using Filtermat B (Pharmacia, Uppsala Sweden) and a Micro Cell Harvester (Skatron, Lier, Norway). The Filtermat B had been presoaked with 1% polyethylenimine and carefully washed with 0.05 M Tris/HCl-buffer pH=7.7 after the filtration to separate free and bound radioactivity. The filters were counted in a scintillation counter (Betaplate 1205, Berthold, Wildbad, Germany) in order to determine the specific binding of [3H]-Dofetilide.
3303	1	Biological Assay 	Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.01% Tween 20. Assays were carried out in 384 well Mesoscale high binding plates which had been coated with myelin basic protein (MBP) and blocked with bovine serum albumin to prevent non-specific protein binding. All compounds tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. Final DMSO concentration was 1% (v/v) in assays. Incubations consisted of compound (1% DMSO in control and blank wells), 25 &#956;M Adenosine-5&#8242;-triphosphate (ATP), and 10 nM NIK/MAP3K14 substituting enzyme with buffer in the blank wells. Incubations were carried out for 1 h at 25° C. and were followed by washing and sequential incubation with rabbit anti-phospho-MBP and anti-rabbit Ig Sulfotag antibody before reading bound Sulfotag on a Mesoscale Discovery. Signal obtained in the wells containing blank samples was subtracted from all other wells and IC50&#39;s were determined by fitting a sigmoidal curve to % inhibition of control versus Log10 compound concentration.
3305	1	Enzymatic IDO Assay	The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; 70 nM purified human IDO protein, 20 &#956;M L-tryptophan, 20 mM ascorbate, 2 &#956;M methylene blue, 0.1% DMSO. The inhibitors were initially diluted in DMSO at 100 mM and were diluted in potassium phosphate 50 mM, added to the reaction mixture at final concentrations raging from 1 mM to 5 nM and preincubated with the enzyme for 5 min at 25° C. The reaction was started by addition of L-tryptophan to 20 &#956;M and incubated 15 min at 37° C. The reaction was stopped by addition of 0.5 vol of 30% trichloroacetic acid and incubated 30 min at 60° C. to hydrolyze N-formylkynurenine to kynurenine. The reaction was centrifuged at 3400 g for 5 min to remove precipitated protein and the supernatant was reacted with 2% (w/v) of p-dimethylaminobenzaldehyde in acetic acid. The reaction was incubated 10 min at 25° C. and read at 480 nm in a spectrophotometer. Control samples with no IDO inhibitor, or with no IDO enzyme or with the reference inhibitors 1-methyl-tryptophan (200 &#956;M) and menadione (1.2 &#956;M) were used as controls to set the parameters for the non-linear regressions necessary for determination of the IC50 for each compound. Nonlinear regressions and determination of the IC50 values were performed using the GraphPad Prism 4 software. Compounds with an IC50 of less than 50 &#956;M were considered as active inhibitors in this assay.
3305	2	Enzymatic TDO Assay	The IC50 values for each compound were determined by testing the activity of TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; 200 nM purified human TDO protein, 20 &#956;M L-tryptophan, 20 mM ascorbate 0.1% DMSO. Differently from the IDO activity assay, no methylene blue is added to the assay. The inhibitors were initially diluted in DMSO at 100 mM and were diluted in potassium phosphate 50 mM, added to the reaction mixture at final concentrations raging from 30 &#956;M to 5 nM and preincubated with the enzyme for 5 min at 25° C. The reaction was started by addition of L-tryptophan to 20 &#956;M and incubated 15 min at 37° C. The reaction was stopped by addition of 0.5 vol of 30% trichloroacetic acid and incubated 30 min at 60° C. to hydrolyze N-formylkynurenine to kynurenine. The reaction was centrifuged at 3400 g for 5 min to remove precipitated protein and the supernatant was reacted with 2% (w/v) of p-dimethylaminobenzaldehyde in acetic acid. The reaction was incubated 10 min at 25° C. and read at 480 nm in a spectrophotometer. Control samples with no TDO inhibitor, or with no TDO enzyme were used as controls to set the parameters for the non-linear regressions necessary for determination of the IC50 for each compound. Nonlinear regressions and determination of the IC50 values were performed using the GraphPad Prism 4 software.
3306	1	Autophosphorylation Assay	Autophosphorylation of Axl was carried out by incubating the recombinant Axl protein (Life Technologies, PV4275) in buffer containing 50 mM Tris, pH7.5, 0.2 mg/ml Axl, 5 mM ATP, 20 mM MgCl2 and 2 mM DTT at room temperature for 1 hour.
3306	2	Enzymatic Assay	Tyro3, and Mer:The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). 
3308	1	Radioligand Binding Assay	Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2, and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under vacuum pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvestor. Filters were then washing several times with ice-cold wash buffer (50 mM Tris-HCl, pH 7.4). Plates were then dried at room temperature and counted in a Wallac microBeta scintillation counter.
3313	1	Binding Assay	Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain. 
3325	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. 
3329	1	FlexStation-Ca2+ Influx Assay	On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5 mM KCl, 0.8 mM MgSO4, 4 mM CaCl2, 120 mM NMDG, 5 mM D-glucose, pH 7.4), followed by addition of about 100 ul per well of a Calcium-3 dye diluted with the assay buffer, and storage at room temperature for about 1 hour. A test compound (10 mM stock in 100% dimethyl sulfoxide (DMSO)) was diluted with the assay buffer to various concentrations, from the highest at about 40 &#956;M to be lower by &#8531;, and PNU-120596 (available from Sigma) for amplifying Ca2+ permeability signaling was diluted to about 30 &#956;M with the assay buffer. Epibatidine (available from Sigma) in a final concentration of about 1 &#956;M was used as a positive control group.
13198	1	Biological Assay	Before the assay, the following working solutions as needed were formulated with corresponding reagents according to the instruction of the kinase detection kit: 1×kinase buffer, 5×STK-S2 substrate working solution (1.5 μM) and 5×ATP working solution (1.5 μM), 5×ROCK2 kinase working solution, 4×Streptavidin-XL665 working solution, and 4×STK-Ab-Cryptate 2 detection solution. Then the assay was performed according to the following procedure.A solution of a compound at a concentration of 10000 nM was prepared with the 1×kinase buffer containing 2.5% DMSO. Gradient dilution of the solution of the compound was performed with the kinase buffer containing DMSO, so as to obtain solutions of a test compound at 9 different concentrations. In addition to wells of test compounds, a positive well (containing all the reagents except the compound) and a negative well (containing all the reagents except the test compound and kinase) were set. Except for the control wells (positive and negative wells), a solution of a test compound (4 μL) was added to each of the reaction wells, and a solution of 2.5% DMSO was added to the control wells. Then the substrate (2 μM, i.e., 2 μL 5×STK-S2 substrate working solution) was added to each of the reaction wells. The 5×ROCK2 kinase working solution (2 μL, containing 1.4 ng ROCK2 kinase) was added to each of the reaction wells except for the negative well, the volume of which was made up with the 1×kinase buffer (2 μL). The 5×ATP working solution (2 μL) was added to each of the reaction wells, and the mixtures were incubated at room temperature for 2 hours. After the kinase reaction was complete, the 4×Streptavidin-XL665 working solution was added to each of the reaction wells, the solutions were mixed, followed by immediate addition of the 4×STK-Ab-Cryptate 2 detection solution (5 μL), and the mixtures were incubated at room temperature for 1 hour. 
3332	1	Omnia Assay	ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in Example 251 above except that the modified ITK-optimized reagent conditions are:[ITK]=10 nM, [ATP]=25 [Y6-Sox]=10 &#956;M (ATP KMapp=33 &#956;M).
3332	2	Inhibition Assay	BMX: The activity of selected compounds of this invention in the BMX inhibition assay
3332	3	Omnia Assay	EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except that the EGFR-WT- and EGFR T790M/L858R-modified optimized reagent conditions are:[EGFR-WT]=5 nM, [ATP]=15 mM, [Y12-Sox]=5 mM (ATP KMapp&#152;12 mM); and [EGFR-T790M/L858R]=3 nM, [ATP]=50 mM, [Y12-Sox]=5 mM (ATP KMapp&#152;45 mM).
3332	4	Omnia Assay	JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 above except that the modified JAK3-optimized reagent conditions were:[JAK3]=5 nM, [ATP]=5 &#956;M, [Y12-Sox]=5 &#956;M (ATP KMapp&#152;5 &#956;M).
3333	1	Enzyme Inhibition Assay	Quizartinib (Ambit Biosciences Corporation) was used as Reference Compound 1.6 &#956;L (0.75 ng) of a mutant FLT3 protein (FLT3 D835Y, Life Technologies) and 3 &#956;L of a solution (100 mmol/L HEPES, 10 mmol/L MgCl2, 25 mmol/L NaCl, 0.01% BSA, 1 mmol/L DTT, pH 7.5) containing a predetermined concentration of a test compound were mixed and allowed to incubate at 25° C. for 15 minutes. Thereafter, 3 &#956;L (final concentration: 0.25 &#956;mol/L) of a substrate peptide Biotin-AAA-AEEEEYFELVAKKK (Toray Industries, Inc.) (SEQ ID NO: 2) and 3 &#956;L (final concentration: 15 &#956;mol/L) of ATP (Sigma-Aldrich) were respectively added thereto, followed by shaking for 2 minutes and further allowing to incubate at 25° C. for 40 minutes to carry out an enzymatic reaction. It should be noted that FLT D835Y refers to an FLT3 protein with a substitution of aspartic acid 835 to tyrosine.Then, 30 &#956;L of an enzyme reaction stop solution (5 &#956;g/mL Streptavidin, 0.19 &#956;g/mL PT66-K, 30 &#956;mol/L HEPES (pH 7.0), 150 mmol/L KF, 75 mM EDTA, 0.15% BSA, 0.075% Tween20) containing Streptavidin-Xlent (Cisbio) and Mab PT66-K (Cisbio) was added to stop the enzymatic reaction, followed by allowing to incubate at room temperature for 1 hour to carry out an antigen-antibody reaction. Thereafter, phosphorylation of the substrate peptide was measured by measuring the time-resolved fluorescence of 615 nm and 665 nm using an Envision (PerkinElmer). By taking the value obtained by dividing the fluorescence value at 665 nm by the fluorescence value at 615 nm as a measured value, taking the measured value of the well with no addition of the compound (DMSO treatment only) and addition of ATP as 0% inhibition, and taking the measured value of the well with no addition of the compound (DMSO treatment only) and no addition of ATP as 100% inhibition, a 50% inhibitory concentration (IC50 value) of the test compound was calculated by Fit Model 205 of XLfit Ver. 5.3.1 (ID Business Solutions Limited).
3334	1	Inhibition Assay	The specific assay conditions were as follows. Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions. Protein: 0.1 nM Kgp, isolated from culture of Porphyromonas gingivalis, as described in Pike et al. J. Biol. Chem. 1994, 269(1), 406, and Potempa and Nguyen. Current Protocols in Protein Scienc. 2007, 21.20.1-21.20.27. Fluorogenic substrate: 10 uM Z-His-Glu-Lys-MCA. Time=90 minutes. Temperature=37° C. Each compound: 10 concentrations, starting at either 100 uM or 100 nM, with lower concentrations generated by serial 3-fold dilutions. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 50% (the IC50 ) was determined. Under the described assay conditions, signal-to-noise was excellent, and Z factor was greater than 0.6.
3331	1	Binding Competition Assay	Human NK-3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments.
3331	2	Inhibition Assay	Human NK-1: The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments.
3331	3	Inhibition Assay	Human NK-2 The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat#NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments.
3335	1	Receptor Binding Assay 	&#956;-Opioid:Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
3335	2	Receptor Binding Assay 	&#954;-Opioid: Receptor Binding Assay Procedures: Membranes from HEK-293, CHO or U-2 OS cells expressing the recombinant human kappa opioid receptor (&#954;) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes from a cell line naturally expressing kappa opioid receptor can also be used. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of &#954; receptor membranes were stored at &#8722;80° C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
3336	1	[3H]-Epibatidine Radioligand Binding Assay	Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.HCl buffer (pH 7.4, 4° C.). The cell suspension was centrifuged at 10,000×g for 5 min and the pellet was collected. The cell pellet was then homogenized in 10 mL buffer with a polytron homogenizer and centrifuged at 36,000 g for 10 min at 4° C. The membrane pellet was resuspended in fresh buffer, and aliquots of the membrane preparation were used for binding assays. The concentration of [3H]-epibatidine used was &#152;500 pM for competition binding assays. Nonspecific binding was assessed in parallel incubations in the presence of 300 &#956;M nicotine. Bound and free ligands were separated by vacuum filtration through Whatman GF/C filters treated with 0.5% polyethylenimine. The filter-retained radioactivity was measured by liquid scintillation counting. Specific binding was defined as the difference between total binding and nonspecific binding. Data from competition binding assays were analyzed using Prism 5 (GraphPad Software, San Diego, Calif.). 
3339	1	Enzyme Inhibition Assay	p38 MAPK&#945;: The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38a inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) was then added and the kinase reaction was initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture was incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
3339	2	Enzyme Inhibition Assay	p38 MAPK&#947;: The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), were evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) was incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) was then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
3339	3	Enzyme Inhibition Assay	GSK 3&#945;: The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). The inhibitory activities of test compounds against the GSK 3&#945; enzyme isoform (Invitrogen), were evaluated by determining the level of activation/phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) were then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
3339	4	Enzyme Inhibition	c-Src and SyK: The enzyme inhibitory activities of compounds disclosed herein were determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LYTE, Invitrogen Ltd., Paisley, UK). The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) was incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) were then added to the enzyme/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
3341	1	Inhibition Assay	TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 cells, Invitrogen).On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 &#956;g/mL streptomycin (Invitrogen))) and plated at a density of 2.4×104 cells/40 &#956;L/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 &#956;L/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-fold concentration (DMSO concentration: 1%). To the plate where cells were plated was added the present compound at 5 &#956;L/well and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 30 minutes. For a control and a blank, the assay medium containing 1% DMSO was added at 5 &#956;L/well in place of the solution of the present compound. Subsequently the assay medium containing NGF (Mouse 2.5s, Natural, Invitrogen) was added to the plate at 5 &#956;L/well (final concentration of NGF: 50 ng/ml) and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 5 hours. For the blank group, the assay medium was added in place of NGF at 5 &#956;L/well. A reporter assay detection reagent (10 &#956;L/well) was added to the plate which was then incubated in the dark at room temperature for 120 minutes. 
3346	1	In Vitro Binding Assay	Receptor binding assays were performed in at least 5 concentrations, with two parallel samples in each concentrations, in at least two independent experiments using the binding buffer (50 mM Tris-HCl, pH 7.4, 5 mM MgCl2), rat H3 membrane (140 &#956;g protein/tube), and N-&#945;-[Methyl-3H]methylhistamine dihydrochloride (1 nM) as radioligand. Non-specific binding was determined in the presence of 10 &#956;M thioperamide. The samples were incubated in a final volume of 0.50 ml for 30 min at 25° C. Binding reactions were terminated by rapid filtration through UniFilter GF/B fiber glass filters presoaked for at least 2 h in 0.5% polyethylene imine (PEI). The filterplates were washed nine times with 0.5 ml of ice-cold washing buffer (50 mM Tris-HCl, pH 7.4, 5 mM MgCl2, 10 &#956;g/ml saponine). The filterplates were dried at 50° C. for 45 min and 40 &#956;l of Microscint20 (Packard) scintillation cocktail was added to each well. Filters radioactivity was determined by 
3347	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1×LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). 
3353	1	Inhibition Assay	TBK1 inhibition is determined using a 384 well &#956;late format in buffer containing 20 mM Hepes, pH 7.4, 10 mM MgCl2, 1 mM EDTA, 0.01% Brij-L23, 1 mM DTT. Each test compound is prepared in DMSO using 2.5-fold serial dilutions for 11 data points, which are added to the buffer so that each dilution contains 1% DMSO. To each well is added 2 &#956;L of 1 &#956;M 5FAM-DRHDSGLDSMKDE-NH2 (in buffer), 2 &#956;L of diluted test compound (1% DMSO in buffer), and 5 &#956;L of 3 nM TBK1 and 25 &#956;M ATP (in buffer). The reaction mixture is incubated at RT for 60 min, and quenched by adding 20 mM Hepes, pH 7.4, 10 mM MgCl2, 1 mM EDTA, 0.01% Brij-L23, 1 mM DTT+25 mM EDTA. To quantify the fluorescent-labeled substrate and product following reaction, the test plate is loaded on a Caliper LC-3000, which measures percent of conversion by microfluidic-based separation. 
3354	1	Biochemical Activity Assay	The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4° C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. ASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4&#8242;-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission on reaction with the sulfhydryl group of CoA. CoA is a byproduct of the FASN reaction, 8 molecules of CoA are released for every molecule of palmitate produced. Reaction of the CoA thiol group with CPM results in fluorescence emission at 405/530 nM.
3355	1	Biochemical Activity Assay	Kit wild type assay: In each well of a 384-well plate, 0.2 ng/ul final (2 nM) of wild type Kit (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM Srctide (5-FAM-GEEPLYWSFPAKKK-NH2) and 400 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 or EC50 calculated using a 4-parameter fit using GraphPad Prism.
3355	2	Biochemical Activity Assay	Kit D816V assay: In each well of a 384-well plate, 0.04 ng/ul (0.5 nM) of D816V Kit (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM Srctide (5-FAM-GEEPLYWSFPAKKK-NH2) and 15 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 or EC50 calculated using a 4-parameter fit using GraphPad Prism.
13199	1	Assay for ADAMTS-7 Enzymatic Activity and Testing of Inhibitory Compounds	Purified recombinant ADAMTS-7 (as of SEQ ID No. 01 or SEQ ID No. 02) was diluted in reaction buffer (20 mM HEPES pH 8.0, 150 mM NaCl, 5 mM CaCl2, 0.004% Brij, 10 μM ZnCl2) fora concentration of approximately 20 nM. 25 μl of the solution were transferred into each well of a 384-well white microtiter plate (Greiner Bio-One 781075) and 1 μl test compound solution (modulator/inhibitor dissolved in DMSO, at the corresponding concentration) or pure DMSO as a control were added per well. The enzymatic reaction was initiated by addition of 25 μl of a 1 μM solution of the FRET substrate, HiLyteFluor-488 DELSSMVLELRGLRT-K(QXL520)-E-NH2; (SEQ ID No. 11, custom synthesis by Anaspec) in the reaction buffer. Amino acids DELSSMVLELRGLRT are derived from Thrombospondin-1 sequence (275-289). An additional carboxyl glutamic acid was added after the QXL520 quencher to increase substrate solubility. The microtiter plate was incubated for 120 min at the temperature of 32° C. The increase of fluorescence intensity was measured in appropriate fluorescence plate reader (e.g. TECAN Ultra) using excitation wavelength of 485 nm and emission wavelength of 520 nm. IC50 values were calculated from percentage of inhibition of ADAMTS-7 activity as a function of test compound concentration. IC50 values derived using functional ADAMTS-7 according to SEQ ID No. 01 or SEQ ID No. 02, respectively, were not distinguishable, both laying within the experimental error.
13200	1	Inhibition Test of the Compounds of the Invention on the JAK Kinase	JAK1 LANCE® Ultra assay, JAK2 LANCE® Ultra assay and JAK3 LANCE® Ultra assay were used to carry out the test separately, and kits of the above assays were supplied by PerkinElmer.A reaction system of JAK1 LANCE®Ultra kinase assay comprises 2 nM JAK1 (Intech, PV4775), 50 nM ULight™-JAK-1 peptide (substrate, PerkinElmer, TRF0121-M) and 38 uM ATP (Sigma, A7699). A reaction system of JAK2 LANCE®Ultra kinase assay comprises 0.03 nM JAK2 (Intech, PV4288), 50 nM ULight™-JAK-1 peptide (substrate, PerkinElmer, TRF0121-M) and 12 uM ATP (Sigma, A7699). A reaction system of JAK3 LANCE®Ultra kinase assay comprises 0.08 nM JAK3 (Intech, PV4080), 50 nM ULight™-JAK-1 peptide (substrate, PerkinElmer, TRF0121-M) and 4 uM ATP (Sigma, A7699).Buffers of an enzymatic reaction is 50 mM 4-hydroxyethylpiperazine ethane sulfonic acid (pH7.5) Intech, 15630130), 10 mM magnesium chloride (Sigma, 63020), 1 mM edetic acid (Intech, 1842C505), 2 mM dithiothreitol (Intech, 43815) and 0.01% BRIJ-35 (Intech, B4184). JAK1, JAK2 and JAK3 kinase, ATP and substrates were dissolved and diluted with buffers.A test liquid was 2 nM Eu-W1024 anti-phosphotyrosine (PerkinElmer, AD0069). A stop buffer was 10 mM edetic acid (Intech, 1842C505).
13201	1	Biological Assays	Compounds were tested against the Abl1 target kinase and showed potencies between 0.30 and 0.64 nanomolar, compared to nilotinib which showed a potency of 5.15 nanomolar in the same assay. When compared to nilotinib, key compounds showed similar c-Abl potency (˜10 nM vs ˜6 nM) and markedly improved hERG potency, with an exemplary compound showing greater than 22-fold decrease in off-target potency.
13202	1	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET)	Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 μL of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 μL assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 μL of 3CL-protease substrate (40 μM) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 μM).
13203	1	Assay of In Vitro Kinase Activity	1. Purpose of the Assay:The ability of compounds to inhibit ERK2 kinase activity was measured.2. Assay Buffer:20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM ethylenebis(oxyethylenenitrilo)tetraacetic acid (EGTA), 0.02% Brij35, 0.02 mg/mL bovine serum albumin (BSA), 0.1 mM Na3VO4, 2 mM dithiothreitol (DTT), 1% DMSO.3. Processing of Compound:The assay compound was dissolved in 100% DMSO to prepare a stock solution of specific concentration. The compound was serially diluted in DMSO solution using Integra Viaflo Assist smart pipette.4. Method of the Assay1) The substrate MBP was prepared in freshly prepared reaction buffer;2) ERK2 kinase was added to the above-mentioned MBP solution and mixed gently;3) The compound dissolved in 100% DMSO was added to the kinase reaction system using ultrasound technology (Echo550; nanoliter range), and the mixture was incubated at room temperature for 20 minutes;4) 33P-ATP (specific concentration of 10 μCi/μL) was added to the reaction system, and the reaction was started at this time;5) The mixture was incubated at room temperature for 2 hours;6) The amount of radioactivity was detected by filter-binding method;7) ERK2 kinase activity was calculated as the ratio of the remaining kinase activity in the assay sample to the kinase activity of the control group (treated by DMSO). Curve was fitted using Prism (GraphPad software) and IC50 values were calculated.5. The Assay Results were Shown in Table 2
13204	1	Neurotensin Scintillation Proximity Assay	Compound affinity was determined by measuring the displacement of [3H]-neurotensin binding to h-Sortilin in SPA format. Total volume of 40 μl in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Compound pre-incubation for 30 minutes at room temperature with 150 nM of 6his-Sortilin before 5 nM [3H]-Neurotensin and Ni chelate imaging beads (Perkin Elmer) were added, after 6 hours the plate was read on a ViewLux with 360 s exposure time. Dose-response evaluation of compounds was performed with 8 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using CDD Vault software. All values reported are average of at least 2 determinations.
13204	2	Rapid Kinetics Assay	Compounds were screened at a final assay concentration of 1 μM and a final DMSO concentration was 1%. To achieve this, compounds were diluted in DMSO from 10 mM stocks to 100 μM (100×final assay concentration) then diluted 1:100 in running buffer which contained no DMSO to establish a final assay concentration of compound of 1 μM and a final DMSO concentration of 1% [DMSO].Compounds and DMSO were mixed by plate shaking at 1000 rpm for 60 seconds using a Bioshake instrument.
13205	1	DNA-PK Enzyme-Linked Immunosorbent Assay	On day one, a 96-well plate (ThermoFisher, Cat #: 442404) was coated with GST-p53 (1-101) peptide (purified by Pharmaron, BCS department) by diluting 3 μg of GST-p53 in each well with 0.1 M Na2CO3/NaHCO3 (pH 9.6). The plate was incubated overnight at 4° C. On the second day, the coating buffer was removed, and the plate was washed twice with PBST (1×PBS containing 0.1% Tween-20). The DNA-PK enzyme solution (Invitrogen, #PR9107A; the final DNA-PK concentration: 0.1 μg/mL) was then added. The compounds were serially diluted to the final maximal concentration of 100 nM (3 fold series dilution, a total of 10 doses), and an ATP solution (the final ATP concentration: 20 μM) was added to the plate. Incubate the plate at 25° C. for 1 hour. The plate was washed three times with PBST (1×PBS containing 0.1% Tween-20) and blocked with a solution of PBST and 1% BSA at 4° C. overnight. The third day, the plate was washed four times with PBST (1×PBS containing 0.1% Tween-20). Anti-phospho-p53 primary antibody (cell signaling Technology, #9286, Phospho-p53 (Ser15) (16G8) Mouse mAb) (1/1000) was added to each well. The plate was sealed, incubated 1 h at 37° C., and washed four times with PBST (1×PBS containing 0.1% Tween-20). An HRP-linked secondary antibody (Cell signaling Technology, #7076, Anti-mouse IgG, HRP-linked Antibody) (1/1000) (100 μL) was added to each well. The plate was sealed with tape, incubated 30 min at 37° C., and washed four times with PBST (1×PBS containing 0.1% Tween-20). At this time, 100 μL of TMB (Cell signaling Technology, #7004) substrate were added to each well. The plate was sealed with tape and incubated the plate 10 min at 37° C. Stop solution (Cell signaling Technology, #7002) (100 μL) was added to each well, and the plate was subjected to the absorption detection at 450 nm.
13205	2	mTOR Biochemical Assay	mTOR Kinase reactions were performed in a 10 μL volume in low-volume 384-well plates. Typically, PerkinElmer model 6008260 plates were used. The composition of the 1× kinase reaction buffer was: 50 mM HEPES pH 7.5, 0.01% Tween 20, 1 mM EGTA, 10 mM MnCl2, and 2 mM DTT. The solution of mTOR enzyme (ThermoFisher, #PR8683B; the final mTOR concentration: 0.5 μg/mL) was added, and the compounds were serially diluted to the final maximal concentration of 100 nM (3 fold series dilution, a total of 10 doses). GFP-4E-BP1 (the final concentration: 0.4 μM) and the ATP solution (the final ATP concentration: 3 μM) were added to the 384-well plate. The plate was incubated at 25° C. for 1 hour, and 10 μL of the EDTA solution (20 mM) and Tb-labeled anti-p4E-BP1 antibody (4 nM) in TR-FRET dilution buffer were added to each well. The plate was sealed, incubated 30 min at 25° C., and read on a plate reader configured for LanthaScreen™ TRFRET.
13205	3	PI3Kα and PI3Kδ Biochemical Assay	PI3Kα and PI3Kδ Kinase reactions were performed in a 5 μL volume in low-volume 384-well plates. Typically, PerkinElmer model 6008280 plates were used. The 1× kinase reaction buffer consisted of 50 mM HEPES pH 7.5, 3 mM MgCl2, 0.03% CHAPS, 1 mM EGTA, 100 mM NaCl, and 2 mM DTT. PI3Kα (ThermoFisher, #PV4788; the final PI3Kα concentration: 120 ng/mL) or PI3Kδ enzyme solution (ThermoFisher, #PV6451; the final PI3Kδ concentration: 250 ng/mL) was added to the plate, compounds were serially diluted to the final maximal concentration of 100 nM (3 fold series dilution, a total of 10 doses), and the PIP2:3PS (the final concentration: 10 μg/mL) and ATP solution (the final ATP concentration: 10 μM) was added to the 384-well plate. The plate was incubated at 25° C. for 1 hour. ADP-Glo reagent buffer (5 μL) was added to each well. The plate was sealed and incubated for 40 min at 25° C. ADP-Glo detection buffer (10 μL) was added to each well, and the plate was incubated for 40 min at 25° C. and read on a plate reader configured for Luminescence.
13206	1	SPR Binding Assay	IRAK4 protein. N-terminal His-TEV-AVI tagged catalytical domain of human IRAK4 (a.a. 163-460) was co-expressed with Bir A in insect cells, and purified to >95% homogeneity by a combination of Ni-NTA affinity chromatography, ion-exchange and size-exclusion chromatography. Phosphorylation and mono-biotinylation of purified IRAK4 were confirmed by mass spectrometric analysis.IRAK4 SPR. IRAK4 SPR was set up on Biacore T200 or S200 by using Biotin CAPture kit (Cytiva). In brief, purified IRAK4 in capture buffer (25 mM Hepes, 150 mM NaCl, 1 mM TCEP, pH7.4) was captured onto a CAP sensor surface via the interaction of biotin to streptavidin Typical capture level is between 1,000 RU to 2,000 RU, Compound binding kinetics to IRAK4 was examined with running buffer (25 mM Hepes, 150 mM NaCl, 1 mM TCEP, 2% DMSO, pH7.4). Serially diluted compounds were injected at 50 μl/min in single-cycle for 60-s association of each injection followed by 360-s dissociation at the end.
13207	1	Kras-BRAF with CYPA (500 nM) Interaction Assay	In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was also used to measure disruption of KRAS G12D or KRAS G12V binding to BRAF by a compound of the invention, respectively. In assay buffer containing 25 mM HEPES PH=7.4 (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, Thermo, 15630080), 0.002% Tween20, 0.1% BSA, 100 mM NaCl, 5 mM MgCl2, 10 μM GMPPNP (Guanosine 5′-[β,γ-imido]triphosphate trisodium salt hydrate, Sigma, G0635), tagless CYPA, GMPPNP loaded 6His-KRAS proteins, and GST-BRAFRBD were mixed in a well of a 384-well assay plate at final concentrations of 50 nM, 6.25 nM and 1 nM, respectively. Compound was present in plate wells as a 16-point 3-fold dilution series starting at a final concentration of 10 μM and incubated for 3 hours. A mixture of MAb Anti-6His-XL665 (Cisbio, 61HISXLB) and Mab anti-GST-TB cryptate (Cisbio, 61GSTTLB) was then added at a final concentration of 6.67 nM and 0.21 nM, respectively, and the plate was incubated for an additional 1.5 hours. TR-FRET signal was read on a PHERstar FSX microplate reader (Ex320 nm, Em 665/615 nm). Compounds that facilitate disruption of the KRAS-BRAF complex were identified as those eliciting a decrease in the TR-FRET ratio relative to DMSO control wells.
13208	1	RET Inhibition Experiment	The three drug-resistant mutant RET enzymes were each pre-incubated with different concentrations of test compounds (in the inhibition rate test of the compound: for RET-G810R and RET-G810C, the compound concentration was 300 and 1,000 nM; for RET-G810S, the compound concentration was 30 and 300 nM. In the IC50 test of the compound: for RET-G810R and RET-G810C, the compound concentration was 1-10,000 nM; for RET-G810S, the compound concentration was 0.1-10,000 nM, 9 concentrations in each case). After pre-incubation for 30 min at room temperature, the substrate and adenosine triphosphate (ATP) were added to start the reaction. For RET-G810R and RET-G810S, incubation was carried out at room temperature for 90 min; for RET-G810C, incubation was carried out at room temperature for 120 min. TK antibody-cryptate and streptavidin-XL665 were added, and the test was performed after incubation at room temperature for 60 min.
13209	1	CRBN-Binding Affinity of Compounds	The specific methods are as follows:1. According to the instructions of the CEREBLON BINDING kits, the compounds of the present invention to be tested and lenalidomide were serially diluted using diluent #9 (1×) solution to obtain a final concentration of 2 μM for both the tested compounds and lenalidomide solution.2. 2.5 μL of the above 2 μM of the tested compounds and lenalidomide solution, as well as the same volume of diluent #9 (1×) solution (solvent control group, Std0) were added to each well of a 96-well plate, respectively. Then, 2.5 μL of human Cereblon WT GST-tagged protein solution was added to each well. Finally, 5 μL of the thoroughly mixed Thalidomide-Re reagent and GST Eu antibody working solution were added to each of the aforementioned wells. The final concentration of the tested compounds and lenalidomide in each well is 0.5 μM.3. The blank control wells were sequentially added with 2.5 μL of diluent #9 (1×) solution, 2.5 μL of PROTAC binding buffer, and 5 μL of thoroughly mixed Thalidomide-Re reagent and GST Eu antibody working solution.4. After sealing and incubating the solutions in the aforementioned wells at room temperature for 3 hours, the absorbance values at emission wavelengths of 620 nm and 665 nm were detected by the HTRF method using a Spark microplate reader (V3.1 SP1).
13210	1	In Vitro Binding Assays Radioligand Binding Assay	Radioligand binding assays were performed using [3H]5-HT as the radioligand using cell membranes prepared from HEK293 cells expressing recombinant 5-HT2A, 5-HT2B and 5-HT2C (INI) receptors. Competition binding experiments consisted of addition of 5 μL of serially diluted test compound, 50 μL of radioligand stock diluted in Assay Buffer (20 mM HEPES, pH 7.4, 10 mM MgCl2), and 145 μL of diluted membrane expressing the receptor of interest to 96-well microtiter plates, which were then incubated for one hour at room temperature. Assay incubations were terminated by rapid filtration through Perkin Elmer GF/C filtration plates under vacuum pressure using a 96-well Packard filtration apparatus, followed by washing the filter plates several times with ice cold Assay Buffer. Plates were then dried at 45° C. for a minimum of four hours. Finally, 25 μL of BetaScint scintillation cocktail was added to each well and the plates were counted in a Packard TopCount scintillation counter. In each competition study, test compounds were assayed at 10 concentrations with three replicates at each test concentration.
13211	1	5-HT2A Receptor Binding Assay	The binding affinities of disclosed compounds at the ketanserin binding site of the 5-HT2A receptor were determined in radioligand binding experiments, with the results summarized in Table 1. Disclosed compounds exhibited substantial binding affinity for the 5-HT2A receptor. The affinity of Compound 1 was much higher than the other pyridine isomer Compound 11 and the pyrazine Compound 12, indicating the preferred positioning of the pyridine nitrogen in the compounds of the invention. Generally, compounds with an ethyl substituent alpha to the basic amine were less potent than compounds bearing a hydrogen or methyl substituent at this position. Longer alkyl or fluoroalkyl substituents at position 5 of the pyridine also tended to increase potency compared to smaller substituents at this position.
13212	1	TBD	TBD
13213	1	TBD	TBD
13213	2	TBD	TBD
13213	3	TBD	TBD
13220	1	p38 Inhibitory Potency	The novel, MK2 substrate-selective inhibitory mechanism of compounds is evaluated in enzyme assays comparing inhibitor potency in blocking p38/MK2 versus p38/PRAK induced phosphorylation of an HSP-27 derived peptide substrate. The ability of compounds to inhibit activated phospho-p38α is evaluated using a p38α/MK2 and a p38α/PRAK cascade assay format. The kinase activity of p38α is determined by its ability to phosphorylate GST-MK2 or GST-PRAK. Activation of MK2 or PRAK by p38α is quantitated by measuring the phosphorylation of a fluorescently-labeled, MK2/PRAK specific peptide substrate, Hsp27 peptide (FITC-KKKALSRQLSVAA, American Peptide catalog number 222 310945, Sunnyvale, CA). The phosphorylation of the Hsp27 peptide is quantified using IMAP technology (Molecular Devices, Sunnyvale CA). Kinase reactions are carried out in a 384-well plate (Greiner, 781280) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.01% Triton X-100, 0.01% BSA, 1 mM DTT, and 2% DMSO. The inhibitor concentration is varied between 0.02-30,000 nM, while the Hsp27 peptide substrate and MgATP are held constant at 1 μM and 10 μM, respectively. Activated p38α is added to a final concentration of 30 pM for reactions with nonphosphorylated 1 nM GST-MK2 in the cascade reaction. For the p38α/PRAK cascade, unactivated GST-PRAK is held constant at 10 nM while p38α is added in to a final concentration of 200 pM. Kinase reactions are incubated at room temperature and quenched after 120 minutes by the addition of IMAP Binding Solution. Under these conditions, approximately 20% of the substrate Hsp27 peptide is phosphorylated. Reactions are initiated by the addition of activated p38α except for preincubation experiments, where reactions are initiated by the addition of Hsp27 peptide and MgATP. Preincubation of p38α with inhibitor or p38α with unactivated GST-MK2 or unactivated GST-PRAK and inhibitor are performed at 2× final assay concentrations at room temperature 240 minutes prior to adding ATP and Hsp27 peptide to initiate catalysis. The p38α compound inhibitory potency is quantitated from dose-response IC50 values or Ki values from p38α/MK2 cascade assays while the substrate selectivity is calculated as a ratio of p38α/PRAK:p38α/MK2 IC50 values. Species compounds of Formula (I), described hereinabove, evaluated in this assay, are expected to provide a therapeutic benefit in the treatment of p38 MAP Kinase mediated diseases, such as autoimmune diseases and lymphoma.
13221	1	Biochemical Assay	A reagent buffer was prepared in filtered and autoclaved water according to the following:50 mM Tris-buffer pH 7.5 (1 M Tris-buffer pH 7.5, Invitrogen, Cat. No. 15567-027);50 mM NaCl (5 M NaCl, Sodium Chloride Solution, Sigma, 59222C-);5 mM MgCl2 (1 M MgCl2, Sigma, M1028);0.1 mM ZnCl2 (Zinc Chloride [7646-85-7], powder, Cell Culture Tested, Sigma, Z-0152); and0.001% Tween 20 (TWEEN 20, Sigma Aldrich, P1379-).A buffer for the cGAS enzyme was prepared in filtered and autoclaved water according to the following:50 mM Tris-buffer pH 7.5;5 mM MgCl2; and0.001% Tween 20.Compounds were dispensed to a 386 well plate. The human truncated cGAS enzyme (4.2 mg/mL 147-522 human cGAS, MW 43,909 g/mol) was stored in 50 mM Tris, 500 mM NaCl, 5% (v/v) glycerol at pH 8 and diluted in the cGAS buffer enzyme shortly before use. The enzyme solution was transferred into the reagent buffer to give a final concentration of 30 nM. The reaction was started by mixing the enzyme with ISD (a 45 bp double stranded DNA, MW 27,670 g/mol, 5 mM), GTP and ATP to a final concentration of 5 μM, 0.5 mM and 0.5 mM respectively in a final volume of 10 μl. The reaction plates were then centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 1 h. After 1 h of incubation, [5Ns]-2′3′-cGAMP to a final concentration of 200 nM and 30 μL of 100% acetonitrile/0.175% of TFA were added to the reaction mixture. The plates were centrifuged at 1000 rpm for 1 minute before being sealed for 3 seconds at 170° C. using a ThermoScientific sealer (ALPS™ 50V) and an aluminum sealing cover (Pierce Seal, 4titude, Product Code: 4TI-0531).
13214	1	Wee1 Enzymatic Activity Inhibition Assay	The enzymatic assay used to determine activity was a Luminescence assay using a Microplate Reader (BMG, ClarioStar Plus). The enzymatic reaction was carried out in assay buffer (40 mM TRIS-HCl pH 7.4-7.6, 20 mM MgCl2, 0.05 mM DTT, 0.1 mg/ml BSA, 5 mM MnCl2). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C-S) using the Biomek FX liquid handling system at 100× solutions of compounds in DMSO. 2×Wee1-PolyE4Y1 mix (final concentration 0.85 ng/μl of Wee1 and 0.2 μg/μl of PolyE4Y1) was prepared in 1× Assay buffer and 5.5 μl of mixture per well was added into 384w white Reaction plate with NBS (Corning, Cat #4513). 5.5 μl of PolyE4Y1 substrate w/o Wee1 in 1× buffer was used for negative control. Plates were centrifuged for 1 min at 100 g. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 1 μl of 100× compounds (in DMSO) were mixed thoroughly with 49 μl of 2×10 μM ATP in Assay Buffer, then 5.5 μl of this mixture was added to Reaction plate with 5.5 μl of Wee1-PolyE4Y1 mix. Plates were centrifuged for 1 min at 100 g and incubated for 1 h at room temperature. Next 3 μL of ADP-Glo reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added. Plates were incubated for 30 minutes at room temperature. Then 6 μL of Kinase detection reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added and the Luminescence was measured using Microplate Reader.
13215	1	In Vitro Assay	Briefly, the kinase reaction was performed by incubating 2.6 nM of the purified, commercially available human ALK5 (recombinant TGF β1 N-term GST-tagged, 80-end), a final concentration of TGFβ1 peptide 94.5 μM (Promega, T36-58) and ultra-pure ATP (Promega V915B). The ATP concentration was set at the Km value (concentration of substrate which permits the enzyme to achieve half maximal velocity (Vmax)) of ALK5 (5 μM). All reactions/incubations were performed at 25° C. Compound and ALK5 kinase were mixed and incubated for 15 mins. Reactions were initiated by addition of ATP at a final concentration in the assay of 0.83 μM. After an incubation of 150 min, the reaction was stopped, and ADP production detected with ADP-Glo kit according to manufacturer&#39;s indications. The assay was performed in 384-well format and was validated using a selection of reference compounds that was tested in 11 point concentration-response curve.
13216	1	BIKE pSENs Assay	This example describes one illustrative method for determining the IC50 of the compounds of the present invention against BIKE (amino acids S38-E345) (K320A, K321A). BIKE protein was dissolved at 20 nM in 1× enzyme solution (50 mM HEPES pH7.5, 10 mM MgCl2, 1 mM DTT, 1% glycerol, 0.5 mM EGTA, 0.01% Briji35, 0.02% BSA) and 12.5 ul was incubated with 250 nl DMSO or 250 nl compound in DMSO at 25° C. for 15 min. The reaction was started by addition of 12.5 ul of 30 uM AQT0759 (Assayquant, CSKS-AQT0759B) and 40 uM ATP which were diluted in 1× substrate dilution buffer (50 mM HEPES pH7.5, 10 mM MgCl2. 1 mM DTT, 1% glycerol, 0.5 mM EGTA, 0.01% Briji35). The rate of product formation (fluorescence signal with Excitation at 360 nm and Emission at 486 nm. Molecular Devices SpectraMax Paradigm) was measured every 2 minutes for 120 minutes at 25° C., and the RFU data was analyzed by linear regression. For IC50 determination, rates normalized relative to uninhibited controls were plotted against compound concentration and fitted using a 4 parameter non-linear regression curve fit (Y=Bottom+((Top-Bottom)/(1+((IC50/X){circumflex over ( )}Slope))), XLfit Model 205).
13216	2	GAK pSENs Assay	This example describes one illustrative method for determining the IC50 of the compounds of the present invention against GAK (amino acids Q25-N335). GAK protein was dissolved at 160 nM in 1× enzyme solution (50 mM HEPES pH7.5, 10 mM MgCl2, 1 mM DTT, 1% glycerol, 0.5 mM EGTA, 0.01% Briji35, 0.02% BSA) and 12.5 ul was incubated with 250 nl DMSO or 250 nl compound in DMSO at 25° C. for 15 min. The reaction was started by addition of 12.5 ul of 30 uM AQT0766 (Assayquant, CSKS-AQT0766B) and 140 uM ATP which were diluted in 1× substrate dilution buffer (50 mM HEPES pH7.5, 10 mM MgCl2, 1 mM DTT, 1% glycerol, 0.5 mM EGTA, 0.01% Briji35). The rate of product formation (fluorescence signal with Excitation at 360 nm and Emission at 486 nm, Molecular Devices SpectraMax Paradigm) was measured every 2 minutes for 120 minutes at 25° C., and the RFU data was analyzed by linear regression. For IC50 determination, rates normalized relative to uninhibited controls were plotted against compound concentration and fitted using a 4 parameter non-linear regression curve fit (Y=Bottom+((Top−Bottom)/(1+((IC50/X){circumflex over ( )}Slope))), XLfit Model 205).
13217	1	 In-Vitro Enzymatic Activity Assay	1) 10 μL of LDNA solution was added into a negative control well, 10 μL of PARP1& DNA (or PARP2& DNA) mixed solution was added into wells excluding the control well, and then 10 μL of NAD+ reagent was added into each well, and incubated at 25° C. for 60 minutes.2) The 384-well plate was washed with PBST buffer for 3 times.3) Finial concentrations of the test compounds were 1000 nM, 250 nM, 62.5 nM, 15.6 nM, 3.9 nM, 0.98 nM, 0.24 nM, 0.061 nM, 0.015 nM and 0.0038 nM.
13218	1	CDK Inhibition In Vitro Assays	Selected compounds disclosed herein were tested in kinase assays by Nanosyn (Santa Clara, CA) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP.
3363	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant Btk (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). 
3367	1	Pharmacology Assay	In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm). 
3358	1	Radioligand dose-displacement Binding Assay	&#956;-Opioid Receptor:Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
3358	2	Radioligand dose-displacement Binding Assay	&#954;-Opioid: Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
3370	1	TR-FRET Screening	The compounds of the present application can regulate (inhibit) the biological activity of the nuclear receptor ROR&#947;, and the intensity of such a regulation (inhibition) can be evaluated by TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) screening system. Nuclear receptor cofactors (co-activators and co-repressors) can regulate the transcription of target genes through interactions with nuclear receptors. If a ligand (test compound) interferes with the interaction between a nuclear receptor and a cofactor, such a ligand (test compound) can regulate the transcription of the corresponding gene.The method employs LanthaScreen TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) technique of Life Technologies Co. to test the compounds for their abilities to regulate (agonize or inversely agonize) the interaction between ROR&#947; and its co-activator. ROR&#947;-LBD is indirectly labeled by binding a terbium(Tb)-labeled anti-GST antibody (Life Technologies #PV3550) onto the GST tag of ROR&#947;-LBD (Life Technologies #PV5887). When no ligand is present, ROR&#947; can continuously bind to a fluorescein-labeled co-activator, and the binding of an agonist to ROR&#947; can enhance the interaction between ROR&#947; and the fluorescein-labeled co-activator; while the binding of an inverse agonist to ROR&#947; can inhibit the interaction between ROR&#947; and the fluorescein-labeled co-activator. When the fluorescein-labeled co-activator and the terbium-labeled anti-GST antibody-ROR&#947;-LBD composite are close to each other to a certain distance, an energy transfer can occur, generating a TR-FRET signal. The co-activators employed in the method are not limited to D22 (Life Technologies #PV4386).(1) The final concentrations in the reaction system and the reaction conditions in the method are shown in the table below:TABLE 2 Concentration of Total Concentration of Fluorescein-labeled Concentration of Tb-labeled volume Reaction ROR &#947;-LBD co-activator activator peptide anti-GST antibody (&#956;L) conditions 2 nM D22 150 nM 2 nM 20 22° C., 5 hr Fluorescein-D22 
3372	1	Biochemical Characterization of Cif Inhibitors	The first step in characterizing the two compounds identified by high throughput screening was to verify that the inhibition was reproducible using fresh preparations. Chemical libraries are often stored for extended periods of time, which can lead to breakdown products contributing to the assay outcome. While the inhibition observed with a fresh tiratircol solution was consistent with the primary and secondary screening results, a fresh benserazide-HCl solution lost all observable inhibition. Additionally, it was noticed that benserazide-HCl solutions, either aqueous or in DMSO, acquired a red color over time, suggesting that the compound was susceptible to breakdown.After aging the freshly prepared benserazide-HCl solution for 3 months at room temperature, Cif inhibition was re-tested. Once more, there was no detectable inhibition. Cocrystallization of Cif protein with the red benserazide hydrochloride breakdown solution resulted in crystals with an enriched color over the well solution, indicating that the chromophore had some affinity for Cif protein. However, clear electron density was not obtainable for any additional compounds bound specifically to Cif. This observation could either be due to low occupancy of a molecule bound to Cif, or a non-specific interaction. 1D proton NMR revealed that a large number of additional peaks were present in the spectra of the breakdown sample. LC/MS analysis detected >100 additional compounds present after aging a benserazide-HCl solution in water. Due to the high diversity of products generated by benserazide-HCl breakdown, as well as the inability to repeat inhibition of Cif EH enzyme activity, this compound was not further investigated.After successfully recapitulating Cif inhibition with fresh tiratricol, the effect was confirmed with an independent substrate and assay. Using the adrenochrome reporter assay and epoxyhexane, an epoxide substrate previously shown to be hydrolyzed by Cif, a robust inhibition of Cif enzyme activity was observed.Subsequently, tiratricol inhibition was characterized kinetically, once again using the fluorogenic substrate CMNGC. The Ki was found to be 4.1±0.4 &#956;M. Additionally, the Ki was independent of substrate concentration, indicating that tiratricol functioned via a non-competitive mechanism of inhibition.
3373	1	PAR-1 FLIPR Assay	Frozen HEK 293 Cells were plated in 384-well PDL coated plates at 12000 cells/well in 50 uL of DMEM media containing 10% FBS, pen/strep/L-Glutamine and non-essential amino acids, incubated overnight at 37° C./5% CO2. Media was then removed from the cells, incubated with 33 uL of Calcium-5 dye in assay buffer (Hank&#39;s buffer containing 20 mM HEPES, 0.04% Chaps and 2.5 mM Probenecid) for 60 minutes at 37° C. 2 uL of varying concentrations of compound in 40% DMSO in assay buffer (final DMSO concentration is 2.3%) were then added to the cells and incubated at 25° C. for 30 minutes. The plates were added to the FLIPR Tetra , the device added 5 &#956;L of PAR-1 selective receptor-activating peptide (sequence Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2, prepared in water) at a concentration equal to the effective concentration that achieved 80% activation of signaling on the day of the experiment. The range of peptide was from 1.5-3 &#956;M. The final volume is 40 uL/well, with 2% DMSO. The FLIPR was read at an excitation wavelength of 480 nm and an emission wavelength of 535 nm, and performed 60 scans over a 1-2 min reading time. The data were analyzed by taking the peak signal over a portion of the range of the 60 scans and dividing this signal by the minimum signal for that same range. The data were expressed as percent inhibition of the maximum divided by the minimum signal achieved at 80% activation produced by the PAR1 activating peptide on the test day. The compounds of Examples 1-13 were tested in the assay described above and the data collected for these compounds is provided.
3373	2	CYP MUX (3A4) RI	Compound dilutions and assay-ready plates were prepared on a TTP Labtech mosquito HTS. Assay conduction was fully automated on a customized Screening Platform from Caliper (now PerkinElmer) containing a Mitsubishi robotic plate handler, Liconic incubators, a Caliper Zephyr liquid handling workstation equipped with temperature-controlled deck positions, a Biotek MultiFlo dispenser and an Agilent PlateLoc heat sealer. Assay plates were Corning Costar 384 well PP plates. High throughput mass spectrometric readout was performed on a RapidFire 300 system coupled to an AB Sciex API 4000 triple quadrupole device. CYP isoform 3A4 was incubated in a separate reaction of 50 &#956;L final volume. 25 &#956;L of HLM (human liver microsomes, BD UltraPool 150, 0.25 mg/mL final concentration) and the respective substrate, testosterone (75 &#956;M) for 3A4, in potassium phosphate buffer (100 mM, pH=7.4) were added to 250 nL of stamped compound solution (10 mM in DMSO). The reactions were started upon addition of 25 &#956;L of a co-factor solution containing magnesium chloride (3.3 mM), glucose-6-phosphate (3.3 mM), glucose-6-phosphate dehydrogenase (1.4 units) and NADP (1 mM) in potassium phosphate buffer (100 mM, pH=7.4) and incubated on deck at 37° C. for 10 min. 8 &#956;L of each reaction were transferred to the same readout plated filled with 48 &#956;L of stop solution containing internal standards (concentration in final readout plate), 6-hydroxytestosterone-D7 (0.5 &#956;M), 4&#8242;-hydroxydiclofenac-D4 (0.2 and dextrorphan-D3 (0.01 in acetonitrile with 0.5% formic acid. After heat sealing, plates were stored at &#8722;20° C. for at least 30 min, centrifuged and subjected directly to RapidFire/MS analysis.
3374	1	Immunoblotting	Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 &#956;g (G-samples) or 30 &#956;g (NaCl and SDS samples) of the protein lysate, denatured at 96° C. for 10 min, and run on 1.5 mm 4-12% Bis-Tris gradient gels (Nupage, Invitrogen, CA), with MOPS SDS running buffer until the 37 kDa protein marker reached the bottom of the gel. All protein extracts were loaded blinded to group.SDS-PAGE and immunoblotting was performed as described in the Criterion BioRad protocol, using polyvinylidene fluoride (PVDF) membranes (GE Healthcare Life Sciences, Uppsala, Sweden). Blots were developed using the ECL Plus Western Blotting Detection System (GE Healthcare) and visualized in the Las-4000 mini from Fujifilm (Japan). Before reprobing, stripping was performed using the Restore Western Blot Stripping Buffer (21059, Thermo Scientific, IL).
3381	1	Pore Permeation Assay	Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor. A HEK293 cell over expressing human P2X7 was harvested using HQTase reagent to detach the cells from T75 cm flask. The harvested cells are centrifuged @1200 rpm for 5 min at room temperature. The viability of cells was determined by Trypan blue dye and the cells are plated @10,000 cell/well in 50 ul volume in a 384W BD Poly lysine coated plate and incubated overnight at 37 C. After overnight incubation, the culture medium was replaced with 35 ul/well assay buffer (5 mM KCl, 0.1 mM CaCl2, 5 mM Glucose, 10 mM HEPES buffer pH7.4 containing 125 mM NaCl. The serial dilution of compounds was performed using Bravo liquid handling instrument and the compounds were added using Bravo to the cell assay plate starting at 2.5 uM with three dilutions for 10 points. The positive control inhibitor compound was added to column 23. The plate was shaken slowly on a plate shaker for 10 seconds. The cells were incubated with the compound for 20 minutes at room temperature. After the incubation period, YO PRO dye (1 uM) along with BzATP (10 uM) were added to cells at 10 ul/well. The plate was centrifuged at 1000 rpm for 5 seconds and incubated at room temperature for 30 minutes. The uptake of YO PRO dye into the cells was measured using Envision Fluorescence plate reader instrument (Perkin Elmer).
3381	2	IL-1beta release assay	The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1&#946; to active IL-1&#946;. The functional activity of P2X7 compounds was measured by the release of mature IL-13 in the culture medium of THP-1 cells, detected by sandwich ELISA. Cells were maintained in complete growth medium (RPMI 1640+10% HI-FCS+2 mM L-glutamine+1×PS). Every 3 days, the medium was renewed by diluting the cells 1/3 to 1/4 as cell density did not exceed 0.5 million cells per ml (seeding cell density @1×105/ml). THP-1 cells were harvested from the flask in 50 ml by centrifugation for 3 min at 100 g. The cells were resuspended to 2×105 cells/ml in medium supplemented with 0.5 &#956;M PMA and incubated. The cells were washed and resuspended to 1.5×105 cells/ml in medium complemented with 10 ng/ml LPS, and the cells were primed for 4 h at 37° C., 5% CO2. After addition of 20 &#956;L of prediluted test compounds, blank, standard and control reagents, cells were incubated for a further 20 min at 37° C. and stimulated with 0.8 mM BzATP for 30 minutes. The cells were centrifuged, supernatant was collected and the presence of mature IL-1&#946; was detected using Dual human IL-1b kit following manufacturer&#39;s instruction. The tetrahydrobenzodiazepine analogs effectively modulated the activity of P2X7 in the cells as measured by the levels of pro-inflammatory cytokine IL-1&#946;, which is released by the activation of P2X7 receptor.
3382	1	TGR5/CRE Luciferase Assay	In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene assay. Human embryonic kidney (HEK) 293 cells were transiently co-transfected with pCMV tag4b-TGR5 h (to follow hTGR5 activation) or pCMV AC6-TGR5m (to follow mTGR5 activation) expression plasmids and the pCRE TA-Luciferase reporter plasmid using the JET PEI reagent (Polyplus transfection). Transfected cells were seeded in 96-well plates and incubated overnight with the test compounds at increasing concentrations tested in duplicate. Lithocolic acid (LCA) at 10 &#956;M was used as a positive reference compound. The cAMP-dependent luciferase expression was followed using the BrightGlo reagent according to the manufacturer (Promega) instructions. Luminescence was read with a Mithras plate reader (Berthold). Data were expressed as percentage of the 10 &#956;M LCA value and EC50 values were calculated using XL fit 5 software or GraphPad Prism 5. Concentration-response curves were fitted by a nonlinear regression analysis to a 4 parameter logistic equation.
3385	1	NAMPT Enzyme Assay	To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration with assay buffer (50 mM Tris-HCl (pH 7.5), 1 mM DTT, 100 mM NaCl, 10 mM MgCl2, 0.005% Tween 20). To this solution is added a test compound or vehicle control (DMSO) and BodiPY ligand (structure below). The plate is shaken for 1-2 min sealed and incubated for 1 h at rt in the dark. The TR-FRET signal is measured using BMG Pherastar (Lanthascreen protocol on BMG Pherastar). Excitation was carried out at 320 nm, and the ratio of emission of BodiPY (520 nm) to terbium (486 nm) was determined. Concentration response curves are generated by calculating the excitation increase in test compound-treated samples relative to DMSO-treated controls.For the assay method described above, test compound percent inhibition values at a single concentration are calculated relative to control (DMSO) treated samples. Compound concentration response curves are fitted to generate IC50 values from those curves. One skilled in the art will appreciate that these values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
3387	1	JAK1, JAK2 and JAK3 In Vitro Enzyme Assays 	The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. These are TR-FRET assay formats that use long-lifetime terbium labeled antibody as the donor species and GFP-STAT1 as the acceptor species. Use the TR-FRET ratio to monitor JAK kinase activity where an increase in phosphorylation of the GFP-STAT1 results in an increase in the TR-FRET ratio. Perform the kinase reaction using a 12.5 &#956;l reaction volume in shallow black 384-well Proxiplate . Add reagents to obtain final reaction conditions of 50 ml HEPES pH, 1.76 mM Triton X-100, ATP (20.0 &#956;M for JAK1 and JAK3 or 5 &#956;M for JAK2) enzyme assays, 10.0 mM MgCl2, 1 mM EGTA and 0.01% Brij-35, 0.05 mM GFP-STAT1, 14 nM JAK1 enzyme for JAK1, 1.0 nM for JAK2 or 2.5 nM for JAK3 enzyme assays, and 4% DMSO and serial dilutions of test compound (diluted 1:3 from 20,000 to 1 nM). Following ATP/GFP-STAT1 addition, centrifuge the assay plates for 1 minute at 1000 revolutions per minute (RPM). Allow the plates to incubate at RT for 60 minutes and then add 12.5 &#956;l of a stopping buffer containing 20 mM EDTA, 2 nM Terbium-anti-phosphorylated Signal Transducers and Activators of Transcription [phosphorylation Tyrosine 701 amino acid] Antibody (Tb-anti-pSTAT1 [pTyr701], 0.67 mM tris(hydroxymethyl)aminoethane hydrochloride (Trizma) pH 7.5, 0.02% NaN3 and 0.01% nonylphenylpolyethylene glycol (Nonidet P40). Incubate at RT for 90 min and read in an EnVision plate reader with 340 nm wavelength excitation filter and emission filters of 520 nm and 495 nm wavelengths. Derive the ratio from the emission wavelength for the GFP-STAT1 which is measured at 520 nm versus the emission at 495 nm for the (Tb-anti-pSTAT1 [pTyr701]. Derive the IC50 value for each compound using percent inhibition data which is calculated from the reaction data relative to on-plate controls (active enzyme versus enzyme inhibited at 2.0 mM with tofacitinib). Use ACTIVITYBASE 4.0 to fit the percent inhibition and ten-point compound concentration data to a four-parameter logistic equation.
3388	1	Antagonism Against Adrenoreceptors	Antagonism against the adrenoreceptor &#945;1A was tested using a recombinant human &#945;1A receptor CHO cell line which additionally also recombinantly expresses mtAeq (mitochondrial aequorin). Antagonism against the adrenoreceptor &#945;2A was tested using a recombinant human &#945;2A-G&#945;16 receptor fusion protein CHO cell line (PerkinElmer Life Sciences) which additionally also recombinantly expresses mtAeq. Antagonism against the adrenoreceptor &#945;2B was tested using a recombinant human &#945;2B receptor CHO cell line (PerkinElmer Life Sciences) which additionally also recombinantly expresses mtAeq. Antagonism against the adrenoreceptor &#945;2C was tested using a recombinant human &#945;2C receptor CHO cell line which additionally also recombinantly expresses a chimaric G protein (G&#945;qi3) and mtOb (mitochondrial obelin).The cells were cultivated at 37° C. and 5% CO2 in Dulbecco&#39;s modified Eagle&#39;s Medium/NUT mix F12 with L-glutamine which additionally contains 10% (v/v) inactivated foetal calf serum, 1 mM sodium pyruvate, 0.9 mM sodium bicarbonate, 50 U/ml penicillin, 50 &#956;g/ml streptomycin, 2.5 &#956;g/ml amphotericin B and 1 mg/ml Geneticin. The cells were passaged with enzyme-free Hank&#39;s-based cell dissociation buffer. All cell culture reagents used were from Invitrogen (Carlsbad, USA).Luminescence measurements were carried out on white 384-well microtitre plates. 2000 cells/well were plated in a volume of 25 &#956;l and cultivated for one day at 30° C. and 5% CO2 in cell culture medium with coelenterazine (&#945;2A and &#945;2B: 5 &#956;g/ml; &#945;1a/c and &#945;2C: 2.5 &#956;g/ml). Serial dilutions of the test substances (10 &#956;l) were added to the cells. After 5 minutes, noradrenaline was added to the cells (35 &#956;l; final concentrations: 20 nM (&#945;1a/c and &#945;2C) or 200 nM (&#945;2A and &#945;2B)), and the emitted light was measured for 50 seconds using a CCD (charge-coupled device) camera (Hamamatsu Corporation, Shizuoka, Japan) in a light-tight box. The test substances were tested up to a maximum concentration of 10 &#956;M. The IC50 values were calculated from the appropriate dose-response curves.
3390	1	Inhibition of Specific Binding to the Rat NR1/NR2B Receptor	Male Wistar rats (180 to 200 g) were killed by suffocation in a CO2 chamber for two minutes. Whole brains without cerebellum were removed and dissected on ice, placed into closed vials and stored at &#8722;70° C.Membrane fractions were prepared and tested using standard techniques. At the time of the assay, 1 g of the brains was placed into 25 ml of 50 mM Tris/10 mM EDTA buffer, pH 7.1, (25 vol. per g of original tissue) and homogenized for 30 sec at 20000 rpm with an Ultraturrax T25 (Jahnke & Kunkel, IKA-Labortechnik, Staufen, Germany). The homogenate was centrifuged at 4° C. for 10 min at 48000 g (OPTIMA L-70, Beckman, Palo Alto, Calif. 94304, USA).The supernatant was discarded and the pellet was homogenized on ice for 30 sec at 20000 rpm with an Ultraturrax and again centrifuged at 48000 g for 30 minutes at 4° C. The resulted pellet was resuspended in 25 ml of 50 mM Tris/10 mM EDTA buffer, homogenized for 30 sec with an Ultraturrax, aliquoted, frozen at &#8722;70° C. and stored until use.After thawing on the day of the assay, a 5 ml membrane aliquot was centrifuged at 48000 g for 30 min at 4° C. The pellet was resuspended in 5 ml of 5 mM Tris/1 mM EDTA buffer, pH 7.4, homogenized for 30 sec at 20000 rpm with an Ultraturrax and centrifuged at 48000 g for 30 min at 4° C. This was repeated twice. The final pellet was homogenized in 5 ml of 5 mM Tris/1 mM EDTA buffer at 4° C. with an Ultraturrax and used for the Ifenprodil-binding assay as described in the following.The incubation mixture of 200 &#956;l contained 5 nmol/l [3H]-Ifenprodil, an optimised amount of membrane preparation, 5 mM Tris/1 mM EDTA (pH 7.4, 10 &#956;M R(+)-3-PPP, 1 &#956;M GBR-12909, 1 &#956;M GBR-12935) and test compound in 1% DMSO. Nonspecific binding was estimated in the presence of 10M CP101.606. The samples were incubated for 60 min. at 4° C.The incubation was terminated by filtration of the membrane preparations using Filtermat B (Pharmacia, Uppsala Sweden) and a Micro Cell Harvester (Skatron, Lier, Norway). The Filtermat B had been presoaked with 1% polyethylene imine and carefully washed with 50 mM Tris/HCl-buffer pH 7.7 after the filtration to separate free and bound radioactivity. The filters were counted in a scintillation counter (Betaplate 1205, Berthold, Wildbad, Germany) in order to determine the specific binding of [3H]-Ifenprodil.The optimal amount of membrane preparation in the assay had been determined and optimized for each membrane preparation separately before the test.Test compounds were either screened at 6 to 10 increasing concentrations for the determination of IC50 and Ki or at 2-4 concentrations for the determination of the percent inhibition. For pipetting of the incubation mixture we routinely used the robot Biomek2000 (Fa. Beckman).For determination of IC50 values the Hill-plot, 2-parameter-model was used. In the NR1/NR2B binding assay a dissociation constant (KD) of [3H]-Ifenprodil of 9 nM was determined.
3390	2	hERG receptor binding assay	TBD
3392	1	TrkA Omnia Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (TrkA from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog#267462). Omnia Tyr Peptide #4, as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. IC50 values were calculated from these rates using either a 4 or 5-parameter logistic curve fit.
3393	1	HTRF KinEASE-STK S2 kit	The kinase IC50 was determined by a commercialized CISBIO kinase detection kit, HTRF KinEASE-STK S2 kit (62ST2PEC). ROCK2 (01-119) employed in the reaction was purchased from Carna Biosciences.Before the assay, the following working solutions as needed were formulated with corresponding reagents according to the instruction of the kinase detection kit: 1×kinase buffer, 5×STK-S2 substrate working solution (1.5 &#956;M) and 5×ATP working solution (1.5 &#956;M), 5×ROCK2 kinase working solution, 4×Streptavidin-XL665 working solution, and 4×STK-Ab-Cryptate 2 detection solution. Then the assay was performed according to the following procedure.A solution of a compound at a concentration of 10000 nM was prepared with the 1×kinase buffer containing 2.5% DMSO. Gradient dilution of the solution of the compound was performed with the kinase buffer containing DMSO, so as to obtain solutions of a test compound at 9 different concentrations. In addition to wells of test compounds, a positive well (containing all the reagents except the compound) and a negative well (containing all the reagents except the test compound and kinase) were set. Except for the control wells (positive and negative wells), a solution of a test compound (4 &#956;L) was added to each of the reaction wells, and a solution of 2.5% DMSO was added to the control wells. Then the substrate (2 &#956;M, i.e., 2 &#956;L 5×STK-S2 substrate working solution) was added to each of the reaction wells. The 5×ROCK2 kinase working solution (2 &#956;L, containing 1.4 ng ROCK2 kinase) was added to each of the reaction wells except for the negative well, the volume of which was made up with the 1×kinase buffer (2 &#956;L). The 5×ATP working solution (2 &#956;L) was added to each of the reaction wells, and the mixtures were incubated at room temperature for 2 hours. After the kinase reaction was complete, the 4×Streptavidin-XL665 working solution was added to each of the reaction wells, the solutions were mixed, followed by immediate addition of the 4×STK-Ab-Cryptate 2 detection solution (5 &#956;L), and the mixtures were incubated at room temperature for 1 hour. The fluorescence signal was read on ENVISION (Perkinelmer) (excitation wavelength: 320 nm, and emission wavelength: 665 nm and 615 nm). The inhibitory rate in each well was calculated based on the fluorescence intensity value: ER (Emission Ratio)=(fluorescence intensity at 665 nm/fluorescence intensity at 615 nm); inhibitory rate=(ERpositive&#8722;ERtest compound)/(ERpositive&#8722;ERnegative)*100%. Curves were plotted and fitted to obtain the median inhibitory concentration (IC50) of each test compound with the PRISM 5.0 software.
3396	1	TBD	TBD
3397	1	Radioligand binding assay	Human or rat P2X7-1321 N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (K) of the test compounds. The data are presented in Tables 2 and 3 under the headings: P2X7 human Ki (&#956;M) and P2X7 rat Ki (&#956;M). Data are analyzed and graphed on Graphpad Prism 5. For analysis, each concentration point is averaged from triplicate values and the averaged values are plotted on Graphpad Prism.
3397	2	Ca2+ Flux assay	1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco&#39;s Modified Eagle Medium) high glucose supplemented with 10% Fetal Bovine Serum (FBS) and appropriate selection marker. Cells were seeded at a density of 25000 cells/well (96-well clear bottom black walled plates) in 100 &#956;l volume/well. On the day of the experiment, cell plates were washed with assay buffer, containing (in mM): 130NaCl, 2KCl, 1CaCl2, 1MgCl2, 10 HEPES, 5 glucose; pH 7.40 and 300 mOs. After the wash, cells were loaded with the Calcium-4 dye (Molecular Device) and incubated in the dark for 60 minutes. Test compounds were prepared at 250× the test concentration in neat DMSO. Intermediate 96-well compound plates were prepared by transferring 1.2 &#956;L of the compound into 300 &#956;L of assay buffer. A further 3× dilution occurred when transferring 50 &#956;L/well of the compound plate to 100 &#956;L/well in the cell plate. Cells were incubated with test compounds and dye for 30 minutes. Calcium dye fluorescence was monitored in FLIPR as the cells were challenged by adding 50 &#956;L/well of BzATP (final concentration is 250 &#956;M BzATP (human and rat)). The fluorescence change was measured 180 seconds after adding the agonist. Peak fluorescence was plotted as a function of BzATP concentration using Origin 7 software.
3410	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242; (SEQ ID NO: 1)) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (1×PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. The Kds were determined using a compound top concentration of 30,000 nM. Kd measurements were performed in duplicate.
3413	1	In Vitro Competitive Activity-Based Protein Profiling	Proteomes (mouse brain membrane fraction or cell lysates for mouse assays; human prefrontal cortex or cell membrane fractions for human assays) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL and FAAH using ImageJ 1.43u software.Preparation of Mouse Brain Proteomes from Inhibitor Treated Mice.Inhibitors were administered to wild-type C57Bl/6J by oral gavage in a vehicle of polyethylene glycol. Each animal was sacrificed 4 h following administration and brain proteomes were prepared and analyzed according to previously established methods (See Niphakis, M. J., et al. (2011) ACS Chem. Neurosci. and Long, J. Z., et al. Nat. Chem. Biol. 5:37-44).
3415	1	cintillation Proximity Assay (SPA)	The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PDE4A3, PDE4B1, PDE4C1, and PDE4D3 enzyme activity by compounds in vitro. The PDE4A3, PDE4B1, PDE4C1, and PDE4D3 assays are run in parallel using identical parameters, except for the concentration of enzyme (80 pM PDE4A3, 40 pM PDE4B1, 40 pM PDE4C1 and 10 pM PDE4D3). The assays are performed in a 384-well format with 50 &#956;L assay buffer (50 mM TRIS pH 7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE4A3, PDE4B1, PDE4C1, and PDE4D3 to convert 20% of substrate (1 &#956;M cAMP consisting of 20 nM 3H-cAMP+980 &#956;M cold cAMP) and a range of inhibitors. Reactions are incubated for 30 min at 25° C. The addition of 20 &#956;L of 8 mg/mL yttrium silicate SPA beads (PerkinElmer) stops the reaction. The plates are sealed (TopSeal, PerkinElmer) and the beads are allowed to settle for 8 hrs, after which they are read on the TriLux MicroBeta overnight.
3416	1	Human FXR (NR1H4) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit purchased from Indigo Bioscience (Catalogue number: IB00601) to determine the potency and efficacy of compound developed by Enanta that can induce FXR activation. The principle application of this reporter assay system is to quantify functional activity of human FXR. The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 100 ul containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 90 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.
3419	1	EGLN-1 Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS- for assay details, see reference (Greis et al., 2006). Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMVEGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1&#945; peptide corresponding to residues 556-574 (DLDLEALAPYIPADDDFQL) (SEQ ID NO. 1) is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 &#956;M), 2-oxoglutarate (3.2 &#956;M), HIF-1&#945; (8.6 &#956;M), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 &#956;L of reaction mixture to 50 &#956;L of a mass spectrometry matrix solution (&#945;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 Hz repetition rate). Hydroxylated peptide product is identified from substrate by the gain of 16 Da. Data defined as percent conversion of substrate to product is analyzed in GraphPad Prism 4 to calculate IC50 values.
3419	2	VEGF ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.). Data defined as % of DFO stimulation is used to calculate EC50 values with GraphPad Prism 4 software (San Diego, Calif.).
3420	1	HBV DNA Quantification Assay	A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in DMEM growth medium, Dulbecco&#39;s Modified Eagle Medium without sodium pyruvate (Life Technologies, Rockville, Md.) supplemented with 10% FBS (Thermo Scientific, Waltham, Md.), 1% penicillin/streptomycin (Life Technologies, Rockville, Md.) and 2 mM L-glutamine (Life Technologies, Rockville, Md.) in T175 flasks. Cells were infected with HBV AD38 viral particles (Texcell, Frederick, USA) at 4000 genome equivalents per cell. After allowing viral infection to take place for 4 days, the infected cells were harvested from the flasks by trypsinization, washed twice with OptiMEM (Life Technologies, Rockville, Md.) and re-suspended in DMEM containing 2% FBS and 1% DMSO at a density of 0.25E6 cells/ml. Infected cells were seeded on 384 well collagen coated plates (Greiner, Austria) at a density of 20,000 cells/well containing serially diluted compounds of the present disclosure or DMSO (0.5%) in a final volume of 80 &#956;l. The assay plates were incubated for a period of 5 days and the antiviral activity of the test compounds were assayed by detecting the presence of HBV DNA in the culture supernatant using the QuantiGene 2.0 nucleic acid quantification kit (Affymetrix, Santa Clara, Calif.).The culture supernatant was harvested and treated with lysis buffer containing Proteinase K (Affymetrix, Santa Clara, Calif.). The supernatant was incubated with HBV viral DNA specific probes (Affymetrix, Santa Clara, Calif.) for 30 minutes at 55° C. This was followed by addition of 0.2M NaOH for 30 minutes at room temperature to denature the DNA, followed by addition of Neutralization buffer (Affymetrix, Santa Clara, Calif.). The resulting lysed and neutralized supernatant was then added to QuantiGene 2.0 384 well plates coated with capture oligonucleotides and incubated overnight at 55° C. The HBV specific probe set consists of Capture Extender oligonucleotides (CE&#39;s) and blocking probes. Following the overnight incubation, the wells were incubated for one hour sequentially with a Pre-Amplifier, Amplifier and Labeled probes conjugated to alkaline phosphatase with a wash step between incubations. After the final wash step, the alkaline phosphatase substrate (Luminol APS5) was added and the resulting luminescence signal was read in an EnVision Multilabel Plate Reader (PerkinElmer, Santa Clara, Calif.). The EC50 values were calculated from the fit of the dose response curves to a four-parameter equation. All EC50 values represent geometric mean values of a minimum of four determinations.
3421	1	Functional Calcium Flux Assay	For functional assays, HEK293 cells stably expressing recombinant rat mGluR5 were seeded in 384-well plates and dye loaded using Fluo-8. Cells were then washed to remove the un-incorporated dye. Antagonist evaluation was performed following a 15 min incubation of the test compound followed by the addition of submaximal concentration of glutamate. Intracellular calcium ([Ca2+]i) measurements were performed using a fluorometric imaging plate reader (FLIPR, Molecular Devices). The glutamate-evoked increase in [Ca2+]i in the presence of the test compounds was compared to the response to glutamate alone (the positive control). Antagonist inhibition curves were fitted with a 4-parameter logistic equation giving IC50 values, and Hill coefficients using an iterative nonlinear curve fitting algorithm.
3424	1	BRD4-H4 Tetraacetylated Peptide Inhibition AlphaScreen	This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BRD4 and the tetraacetylated histone H4 peptide.Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 &#956;M start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15 nM GST-BRD4-BD1 protein (aa 44-168) or 150 nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (Lys5, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 &#956;l of the mix is added to the compound dilutions. Subsequently, 6 &#956;l of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated Acetyl-Histone H4 peptide and GST-BRD4-BD1 or GST-BRD4-BD2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. Furthermore, a positive control (probe molecule JQ1+ with protein/peptide mix) is pipetted. Determination of IC50 values are carried out using GraphPad Prism 3.03 software (or updates thereof).
3425	1	In Vitro Enzyme Inhibition Assay-LSD-1	This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession number 060341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD-1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD-1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD-1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD-1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD-1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD-1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
3426	1	Monoamine Oxidase Assays for Determining the Selectivity of the Compounds of the Invention for LSD1	Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, secondary and tertiary amines. In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening assay was set up. 3-(2-Aminophenyl)-3-oxopropanamine (kynuramine dihydrobromide, Sigma Aldrich), a non fluorescent compound was chosen as a substrate. Kynuramine is a non-specific substrate for both MAO-A and MAO-B activities. While undergoing oxidative deamination by MAO activities, kynuramine is converted into 4-hydroxyquinoline (4-HQ), a resulting fluorescent product.The monoamine oxidase activity was estimated by measuring the conversion of kynuramine into 4-hydroxyquinoline. Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 &#956;L. The assay buffer was 100 mM HEPES, pH 7.5. Each experiment was performed in duplicate within the same experiment.Briefly, a fixed amount of MAO (0.25 &#956;g for MAO-A and 0.5 &#956;g for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the absence and/or in the presence of at least eight 3-fold serial dilutions each. Clorgyline and Deprenyl (Sigma Aldrich) was used as a control for specific inhibition of MAO-A and MAO-B respectively.After leaving the enzyme(s) interacting with the inhibitor, KM of kynuramine was added to each reaction for MAO-B and MAO-A assay respectively, and the reaction was left for 1 hour at 37° C. in the dark. The oxidative deamination of the substrate was stopped by adding 50 &#956;L of NaOH 2N. The conversion of kynuramine to 4-hydroxyquinoline, was monitored by fluorescence (excitation at 320 nm, emission at 360 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure levels of fluorescence produced in the absence and/or in the presence of inhibitor.The maximum of oxidative deamination activity was obtained by measuring the amount of 4-hydroxyquinoline formed from kynuramine deamination in the absence of inhibitor and corrected for background fluorescence in the absence of MAO enzymes. The IC50 values of each inhibitor were calculated with GraphPad Prism Software.
3426	2	Inhibition of LSD1	The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be tested as follows. Human recombinant LSD1 protein was purchased from BPS Bioscience Inc (catalog reference number 50100: human recombinant LSD1, GenBank accession no. NM_015013, amino acids 158-end with N-terminal GST tag, MW: 103 kDa). In order to monitor LSD1 enzymatic activity and/or its inhibition rate by our inhibitor(s) of interest, di-methylated H3-K4 peptide (Anaspec) was chosen as a substrate. The demethylase activity was estimated, under aerobic conditions, by measuring the release of H2O2 produced during the catalytic process, using the Amplex Red hydrogen peroxide/peroxidase assay kit (Invitrogen).Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions of the respective test compound (e.g., from 0 to 75 &#956;M, depending on the inhibitor strength). Tranylcypromine (Biomol International) was used as a control for inhibition. Within the experiment, each concentration of inhibitor was tested in duplicate. After leaving the enzyme interacting with the inhibitor, KM of di-methylated H3-K4 peptide was added to each reaction and the experiment was left for 30 minutes at 37° C. in the dark. The enzymatic reactions were set up in a 50 mM sodium phosphate, pH 7.4 buffer. At the end of the incubation, Amplex Red reagent and horseradish peroxidase (HPR) solution were added to the reaction according to the recommendations provided by the supplier (Invitrogen), and left to incubate for 5 extra minutes at room temperature in the dark. A 1 &#956;M H2O2 solution was used as a control of the kit efficiency. The conversion of the Amplex Red reagent to resorufin due to the presence of H2O2 in the assay, was monitored by fluorescence (excitation at 540 nm, emission at 590 nm) using a microplate reader (Infinite 200, Tecan). Arbitrary units were used to measure level of H2O2 produced in the absence and/or in the presence of inhibitor.The maximum demethylase activity of LSD1 was obtained in the absence of inhibitor and corrected for background fluorescence in the absence of LSD1. The IC50 value of each inhibitor was calculated with GraphPad Prism Software.
3431	1	MGAT LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON 96-well polypropylene plates, in a total volume of 60 &#956;L of 50 mM potassium phosphate buffer pH 7.4, containing a final concentration of 100 &#956;M 2-oleoylglycerol, 15 &#956;M oleoyl-coenzyme A and 0.0013 &#956;g/&#956;L human or mouse MGAT-2 or 0.0026 &#956;g/&#956;L rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &#956;L of ice cold methanol containing 1 &#956;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters SYMMETRY C8, 50×2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of Phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65° C. Mass spectrometry analysis of the samples was performed on a ThermoFisher Quantum Triple quad utilizing APCI (+) as the mode of ionization. Data was acquired in Single Ion Monitoring (SIM) mode analyzing Diolein=m/z 603.6 (PRODUCT) and 1,2-distearoyl-rac-glycerol (IS)=m/z 607.6. The ratio of Diolein to internal standard (Peak Area Ratio) is utilized to calculate IC50 values.
3434	1	VEGF-R2 Binding Assay	A competition binding assay (DiscoveRx KINOMEscan ) was used to measure the ability of the compound to compete for binding of an immobilized adenosine triphosphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. The ability of the test compound to compete with the immobilized ligand was measured using quantitative polymerase chain reaction (qPCR) of the DNA tag (Fabian, et al, Nature Biotechnology (2005) 23, 329-336; Karaman, et al, Nature Biotechnology (2008) 26, 127-132).A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer (SeaBlock (Pierce), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% Tween 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SeaBlock, 0.17× phosphate buffered saline, 0.05% Tween 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% Tween 20). The beads were re-suspended in elution buffer (1× phosphate buffered saline, 0.05% Tween 20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The VEGFR2 concentration in the eluate was measured using qPCR.An 11-point dose response curve of 3-fold serial diluted test compound starting at 1 &#956;M was used to determine the VEGFR2 binding constant (Kd). The compounds were prepared in 100% DMSO at 100× the final test concentration and then diluted to 1× in the assay for final DMSO concentration of 1%. Binding constants were calculated with standard dose-response curve using the Hill equation with Hill slope set to &#8722;1. Curves were fit using a non-linear least square fit with the Levenberg-Marquardt algorithm.
3438	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hr and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.). 
3442	1	FRET Assay	Serial dilutions of test compounds are prepared as described above. Compounds are further diluted 20× in KH2PO4 buffer. Ten &#956;L of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25 &#956;L of 50 mM KH2PO4, pH 4.6, 1 mM TRITON X-100, 1 mg/mL Bovine Serum Albumin, and 15 &#956;M of FRET substrate) (See Yang, et. al., J. Neurochemistry, 91(6) 1249-59 (2004)). The content is mixed well on a plate shaker for 10 minutes. Fifteen &#956;L of two hundred pM human BACE1(1-460):Fc (See Vasser, et al., Science, 286, 735-741 (1999)) in the KH2PO4 buffer is added to the plate containing substrate and test compounds to initiate the reaction. The RFU of the mixture at time 0 is recorded at excitation wavelength 355 nm and emission wavelength 460 nm, after brief mixing on a plate shaker. The reaction plate is covered with aluminum foil and kept in a dark humidified oven at room temperature for 16 to 24 h. The RFU at the end of incubation is recorded with the same excitation and emission settings used at time 0. The difference of the RFU at time 0 and the end of incubation is representative of the activity of BACE1 under the compound treatment. 
3446	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
3447	1	Inhibition Assay	The TACE inhibition test was carried out by measuring TACE activity in the presence and the absence of the test substance using the thus-obtained TACE as an enzyme, and a fluorescent synthetic substrate Nma(N-methylanthranilic acid)-Leu-Ala-Gln-Ala-Val-Arg-Ser-Ser-Lys(Dnp(dinitrophenyl))-D-Arg-NH2 (SEQ ID NO: 1) including the TACE-cleaved sequence of a membrane-bound TNF as a substrate. The TACE inhibition test method is shown below. Namely, 90 &mu;L of an enzyme solution prepared with an assay buffer A (50 mM tris-hydrochloric acid buffer (pH 7.5) including 200 mM sodium chloride, 5 mM calcium chloride, 10 &mu;M zinc sulfate, and 2 mg/mL bovine serum albumin) and 90 &mu;L of a fluorescent synthetic substrate prepared with an assay buffer B (50 mM tris-hydrochloric acid buffer (pH 7.5) including 200 mM sodium chloride, 5 mM calcium chloride, 10 &mu;M zinc sulfate, and 0.05% PLURONIC F-68) were mixed together, and reacted at 37&deg; C. for 1.5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm.
3447	2	Inhibition Assay	MMP-1: 180 &#956;L (100 ng) of human MMP-1 (Calbiochem #444208) was mixed with 20 &#956;L of 10 mM p-amino phenyl mercuric acetate (APMA), and activated by reacting at 37° C. for 1 hour. 20 &#956;L of the resultant enzyme solution was diluted to 90 &#956;L with an assay buffer A. The mixture was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (Dnp-Pro-Cha(&#946;-cyclohexylalanyl)-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2) (SEQ ID NO: 2) prepared with an assay buffer B, and reacted at 37° C. for 5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated.
3447	3	Inhibition Assay	MMP-2: 90 &#956;L (5 ng) of human MMP-2 (Calbiochem #444213) was mixed with 10 &#956;L of 10 mM APMA, and activated by reacting at 37° C. for 1 hour. 10 &#956;L of the resultant enzyme solution was diluted to 90 &#956;L with an assay buffer A. The mixture was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (MOCAc((7-methoxycoumarin-4-yl)acetyl)-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2, Peptide Institute Inc., #3163-v) (SEQ ID NO: 3) prepared with an assay buffer B, and reacted at 37° C. for 5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 320 nm and a measurement wavelength of 405 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated.
3447	4	Inhibition Assay	MMP-3: 90 &#956;L (1.5 ng) of human MMP-3 (Calbiochem #444217) prepared with an assay buffer A was added to 90 &#956;L of a 20 &#956;M fluorescent substrate NFF-3 (MOCAc((7-methoxycoumarin-4-yl)acetyl)-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2, Peptide Institute Inc., #3168-v) (SEQ ID NO: 4) prepared with an assay buffer B, and reacted at 37° C. for 4 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 320 nm and a measurement wavelength of 405 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated.
3447	5	Inhibition Assay	MMP-8: 90 &#956;L (29 ng) of human MMP-8 (Calbiochem #444229) was mixed with 10 &#956;L of 10 mM APMA, and activated by reacting at 37° C. for 1 hour. 10 &#956;L of the resultant enzyme solution was diluted to 90 &#956;L with an assay buffer A. The mixture was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2, Peptide Institute Inc., #3163-v) (SEQ ID NO: 3) prepared with an assay buffer B, and reacted at 37° C. for 5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 320 nm and a measurement wavelength of 405 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated
3447	6	Inhibition Assay	MMP-9: 90 &#956;L (11 ng) of human MMP-9 (Calbiochem #444231) was mixed with 10 &#956;L of 10 mM APMA, and activated by reacting at 37° C. for 2 hours. 10 &#956;L of the resultant enzyme solution was diluted to 90 &#956;L with an assay buffer A. The mixture was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2) (SEQ ID NO: 2) prepared with an assay buffer B, and reacted at 37° C. for 4 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated
3447	7	Inhibition Assay	MMP-13: 90 &#956;L (18 ng) of human MMP-13 (Calbiochem # CC068) or 90 &#956;L (130 ng) of human MMP-13 (Calbiochem #444287) was mixed with 10 &#956;L of 10 mM APMA, and activated by reacting at 37° C. for 1 hour. 10 &#956;L of the resultant enzyme solution was diluted to 90 &#956;L with an assay buffer A. The mixture was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2) (SEQ ID NO: 2) prepared with an assay buffer B, and reacted at 37° C. for 4 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated
3447	8	Inhibition Assay	MMP-14: 90 &#956;L (1.9 ng) of human MMP-14 (Calbiochem #475935) prepared with an assay buffer A was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2) (SEQ ID NO: 2) prepared with an assay buffer B, and reacted at 37° C. for 5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated.
3447	9	Inhibition Assay	MMP-17: 90 &#956;L (5.8 ng) of human MMP-17 (Calbiochem #475940) prepared with an assay buffer A was added to 90 &#956;L of a 20 &#956;M fluorescent substrate (MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2, Peptide Institute Inc., #3163-v) (SEQ ID NO: 3) prepared with an assay buffer B, and reacted at room temperature for 5 hours. Enzyme activity was then determined by measuring with a fluorescence intensity meter (Labsystems, Fluoroskan Ascent) at an excitation wavelength of 320 nm and a measurement wavelength of 405 nm.From the enzyme activity in the presence or the absence of the test substance, the inhibition rate was determined, and the 50% inhibitiory concentration (IC50) of the test substance was calculated.
3455	1	In vitro Kinase Assay	Purified BMX was mixed with substrate (FAK or Bmxtides), kinase buffer (final 20 mM HEPES, pH 7.5, 10 mM MgCl2, 20 mM &#946;-glycerophosphate, 1 mM dithiothreitol, 20 &#956;M ATP, 5 mM Na3VO4) and 1 &#956;Ci of [&#947;-32P]ATP (omitted for cold in vitro kinase assays analyzed by mass spectroscopy) for 30 min at 30° C. Reactions were stopped with 10 mM EDTA and Laemmli sample buffer. Samples were resolved by 4-12% NuPAGE gel, and visualized by autoradiography. The positional scanning peptide library assay was performed according to published methods (Hutti et al., Nat. Methods 1, 27 (2004); Turk et al., Nat. Protoc. 1, 375 (2006)). Labelled peptide libraries were spotted onto avidin-coated filter sheets (SAM2 Biotin Capture Membrane, Promega, Madison, Wis.), which were washed, dried, and exposed to a phosphoimager screen.
3455	2	Binding Assay	DiscoverX binding assays were performed according to published methods (Fabian et al., Nat. Biotechnol. 23, 329-36 (2005); Davis et al., Nat. Biotechnol. 29, 1046-51 (2011)). Compounds that bind an active site of a protein (e.g., a kinase, such as BMX, BLK, BTK, JAK3, EGFR(T790M), ITK, TEC, mTOR, or mTORC1) and directly (sterically) or indirectly (allosterically) prevent protein binding to the immobilized ligand, will reduce the amount of protein captured on a solid support. Conversely, compounds that do not bind the protein have no effect on the amount of protein captured on the solid support. Screening hits are identified by measuring the amount of protein captured in test versus control samples by using a quantitative, precise, and ultra-sensitive qPCR method that detects the associated DNA label. In a similar manner, dissociation constants (Kd&#39;s) for compound-protein interactions are calculated by measuring the amount of protein captured on the solid support as a function of the test compound concentration.
3456	1	Biochemical Enzymatic Assay	Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Reaction Buffer E (15 mM HEPES pH7.4, 20 mM NaCl, 1 mM EGTA, 10 mM MgCl2, 0.1 mg/ml BGG, and 0.02% Tween-20). Final MNK1 reactions contained 10 nM recombinant MNK1 (Life Technologies, PR9138A), 100 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 300 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final MNK2 reactions contained 3 nM recombinant MNK2 (Life Technologies, PV5607), 50 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 10 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final DMSO concentration in each reaction is 1%.Kinase reactions are carried out in 96-well half-area white flat-bottom polystyrene plates in a final volume of 25 &#956;l. MNK1/2 enzymes are pre-incubated with compound and peptide substrate for 5 minutes prior to the addition of ATP. After the addition of ATP, kinase reactions are incubated at room temperature for 40 minutes. Reactions are subsequently stopped by the addition of 25 &#956;l of ADP-Glo Reagent and incubating for an additional 40 minutes. The final luminescent signal used for kinase activity readout is produced by the addition of 45 &#956;l of Kinase Detection Reagent (ADP-Glo kit, Promega) and incubating for 40 minutes. The luminescent signal is detected using a Victor 2 multilabel counter (Perkin Elmer) and the concentration of compound necessary to achieve inhibition of enzyme activity by 50% (IC50) is calculated using signals from an 8-point compound dilution series.
3457	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;m Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was pre-incubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;m Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
3458	1	Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 &#956;g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 &#956;l. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 &#956;M (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively. For each test compound, a IC50 value (the concentration mediating 50% inhibition of the specific binding of the radioligand) was determined from concentration-response curve and used to calculate the Ki from the equation Ki=IC50/(1+L/Kd), where L and Kd are the final concentration of the radioligand used in the assay and the dissociation constant of the radioligand, respectively. 
3461	1	Inhibition Assay	Inhibition constants of MerTK, Flt3, Tyro3 and Axl kinase activity by an active compound as described herein is determined at the Km for ATP using a microfluidic capillary electrophoresis (MCE) assay in which phosphorylated and unphosphorylated substrate peptides were separated and analyzed using a LabChip EZ Reader.Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 &#956;l, of 50 mM Hepes, Ph 7.4 containing 10 mM MgCl2, 1.0 mM DTT, 0.01% Triton X-100, 0.1% Bovine Serum Albumin (BSA), containing 1.0 &#956;M fluorescent substrate and ATP at the Km for each enzyme. All reactions were terminated by addition of 20 &#956;L of 70 mM EDTA. After a 180 mM incubation, phosphorylated and unphosphorylated substrate peptides were separated in buffer supplemented with 1×CR-8 on a LabChip EZ Reader equipped with a 12-sipper chip. Data were analyzed using EZ Reader software. Assay conditions for MCE assays 
3463	1	Biochemical Assay	In brief, this Rpn11 bioassay employs a fluorescent polarization readout based on the ability of the 26S proteasome to cleave the protein substrate including four tandem ubiquitin proteins fused to a peptide having a unique cysteine labeled with a fluorophore. Cleavage of this substrate by Rpn11 at the junction between the fourth ubiquitin and the peptide, releases the low molecular weight fluorescent peptide. Accordingly, inhibition of fluorescence correlates with inhibition of Rpn11. Inhibition is reported as the half maximal inhibitory concentration (IC50) for the candidate compound.The catalytic JAB1/MPN/Mov34 metalloenzyme (JAMM) motif of Rpn11 is found in 7 different human proteins including the Csn5 subunit of the COP9 signalosome, AMSH, AMSH-LP, the BRCC36 subunit of BRISC, MPND, and MYSM1. All of these enzymes cleave the isopeptide linkage that joins ubiquitin (or the ubiquitin-like protein Nedd8 in the case of Csn5) to a second molecule of ubiquitin or to a substrate. The conserved JAMM domain has the consensus sequence EXnHS/THX7SXXD, in which the histidine (His) and aspartic acid (Asp) residues bind the Zn2+ ion and the fourth coordination site is occupied by a water molecule that is engaged in hydrogen bonding with a conserved glutamic acid (Glu). The Zn2+ acts as a Lewis acid and increases the nucleophilic character of the bound water enough to allow hydrolytic cleavage of the isopeptide bond.
3465	1	LanthaScreen Assay	DDR1 binding activity was measured using the LanthaScreen (Registered trademark) Eu Kinase Binding Assay (manufactured by Life Technologies Corporation). The test compound and the Alexa Fluor 647-labeled Kinase Tracer 178 (manufactured by Life Technologies Corporation) were added to a mixture of DDR1 and the LanthaScreen (Registered trademark) Eu-anti-GST antibody. After one-hour reaction at room temperature, the fluorescence resonance energy transfer was measured. The 50% inhibitory concentration (IC50) was calculated from the inhibition rate relative to the test compound-free control.
3467	1	Activity Assay	The MetAP-2 activity is determined by coupling enzymatic reactions. The tripeptide Met-Arg-Ser (MAS) is employed as substrate. The methionine liberated is firstly converted into Metox and H2O2 by L-aminooxidase (AAO). In the second step, the peroxidase (POD) with the aid of the H2O2 catalyses the oxidation of the leukodye dianisidine to dianisidineox, the increase of which is detected photometrically at 450 nm. MetAP-2 activity can be recorded continuously as kinetics. The reaction scheme illustrates that one mol of dianisidineox is formed per mol of methionene. The MetAP-2 enzyme activity can therefore be calculated directly as absorption per time unit. Qualification of the MetAP-2 activity (mol of Met/time unit) is possible with the aid of the dianisidineox extinction coefficient. The change in extinction per time unit is depicted graphically and a slope calculation is carried out in the visually linear region of the reaction.
3468	1	Inhibition Assay	The inventors have assumed that inhibition of nocturnal activity of placental leucine aminopeptidase (P-LAP), i.e. aminopeptidase that cleaves AVP, would maintain and/or increase an endogenous AVP level to enhance the antidiuretic effect, which would contribute to a decreased number of nocturnal voids, and have extensively studied compounds which inhibit P-LAP. 
3469	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
3471	1	Kinase Assay	The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO) at a concentration of 20 &#956;M. DYRK1B was added to the substrate solution in a concentration of 0.3 nM and gently mixed. Dilution series of the compounds according to the present invention in DMSO were prepared. Each dilution was added to a batch of the above reaction mix, followed 20 min later by addition of a mixture of ATP and 33P ATP (specific activity 0.01 &#956;Ci/&#956;l final) to a final concentration of 10 &#956;M. Reactions were carried out at 25° C. for 120 min, followed by spotting the reactions onto P81 ion exchange filter paper. Unbound phosphate was removed by extensive washing of the filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle (DMSO) reactions. 
3473	1	Kinase Assay	Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfer methodology. Recombinant Btk was pre-incubated with the compounds disclosed herein at room temperature for 1 hour in an assay buffer containing 50 mM Tris pH7.4, 10 mM MgCl2, 2 mM MnCl2, 0.1 mM EDTA, 1 mM DTT, 20 nM SEB, 0.1% BSA, 0.005% tween-20. The reactions were initiated by the addition of ATP (at the concentration of ATP Km) and peptide substrate (Biotin-AVLESEEELYSSARQ-NH2). After incubating at room temperature for 1 h. an equal volume of stop solution containing 50 mM HEPES pH7.0, 800 mM KF, 20 mM EDTA, 0.1% BSA, Eu cryptate-conjugated p-Tyr66 antibody and streptavidin-labeled XL665 was added to stop the reaction. Plates were further incubated at room temperature for 1 hour, and then the TR-FRET signals (ex337 nm, em 620 nm/665 nm) were read on BMG PHERAstar FS instrument. The residual enzyme activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 615 nm to that at 665 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software.
3475	1	Omnia Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog#267462). Omnia Tyr Peptide #4 (for TrkA) or #5 (for TrkB), as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP for TrkA assay or 1 mM ATP for TrkB assay, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. 
3478	1	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO:1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
3480	1	iochemical Assay	Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid sequence: Ser-Gly-Arg-Gly-Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-NH2). Full-length PRMT5 enzyme (NCBI Reference sequence NP-006100.2) was co-expressed with Hiss-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatograph.The 6 &#956;L assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM dithiothreitol, 200 nM peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37° C. Reaction progress was measured using the Transcreener&#153; EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 min before being read on a PerkinElmer EnVision&#153; plate reader in fluorescence polarisation mode. IC50 values were obtained from the raw readings by calculating percent inhibition (% I) for each reaction relative to controls on the same plate (% I=(I&#8722;CN)/(CP&#8722;CN) where CN/CP are the averages of the negative/positive reactions, respectively), then fitting the % I data vs. compound concentration [I] to % I=(A+((B&#8722;A)/(1+((C/[I])^D)))) where A is the lower asymptote, B is the upper asymptote, C is the IC50 value, and D is the slope.
3487	1	FLIPR Ca2+ Flux Assay	For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. 
3489	1	Kinase Inhibiting Activity Assay	Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below.Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO*Required cofactors are added individually to each kinase reactionReaction Procedure:(i) Prepare indicated substrate in freshly prepared Base Reaction Buffer(ii) Deliver any required cofactors to the substrate solution above(iii) Deliver indicated kinase into the substrate solution and gently mix(iv) Deliver compounds in DMSO into the kinase reaction mixture(v) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) into the reaction mixture to initiate the reaction.(vi) Incubate kinase reaction for 120 minutes at room temperature(vii) Reactions are spotted onto P81 ion exchange paper (Whatman #3698-915)(viii) Wash filters extensively in 0.1% phosphoric acid.(ix) Dry filters and measure counts in scintillation counterKinase Information:CHK-1 Genbank Accession # AF016582Recombinant full length construct, N-terminal GST tagged, purified from insect cells.No special measures were taken to activate this kinase.Final concentration in assay=0.5 nMSubstrate: CHKtidePeptide sequence: [KKKVSRSGLYRSPSMPENLNRPR]Final concentration in assay=20 &#956;M
3491	1	Receptor Binding Assay	The buffer solution for the receptor binding test was dispensed to the wells of a 96-well assay plate (Greiner) at 22.5 &#956;L/well. DMSO solutions of a test compound, which were prepared at an 80-time higher concentration using 100% dimethyl sulfoxide (DMSO), were added to the wells at 2.5 &#956;L/well (final concentrations of 1 nM to 100 nM), and the solutions were mixed. As a radiolabeled ligand, 125I-substance P (Substance P, [125I]Tyr8-, Perkin Elmer) was used. 125I-substance P was diluted with the buffer solution for the receptor binding test to a concentration resulting in 125 pmol/25 &#956;L/well and added to the 96-well assay plate, and the solutions were mixed. The membrane fraction prepared from the human NK1 receptor-expressing cells was diluted with the buffer solution for the receptor binding test to a concentration resulting in 8 to 10 &#956;g/well, suspended until the suspension became in such a homogenous state that the suspension could flow through a 27G injection needle smoothly and then added to the 96-well assay plate at 150 &#956;L/well. Then, the plate was incubated at room temperature for 60 minutes while shaking the plate. The reaction solutions were suction-filtered through a multiscreen 96-well filter plate (Millipore) which had been pre-treated with 0.3% polyethyleneimine, and the reaction was terminated by washing with a washing solution (50 mM Tris and 0.02% bovine serum albumin, pH 7.4) four times. The bottom of the microplate was dried at 60° C., and then 100 &#956;L/well of MicroScint 20 (PerkinElmer) was dispensed to the wells. The top of the plate was sealed with TopSeal A (PerkinElmer), and the plate was shaken for 5 to 10 minutes. Then, the radioactivities were measured with TopCount NXT (registered trademark) (PerkinElmer). The radioactivity of each well was calculated by subtracting the radioactivity of the well to which 10 &#956;M aprepitant was added (non-specific binding). 
3491	2	Inhibition Assay	A dimethyl sulfoxide (DMSO) solution of a test compound with a concentration 1000 times higher than the evaluation concentration was prepared, and a reaction solution was prepared by diluting the solution. Enzyme reaction was performed by incubating in a potassium phosphate buffer solution (pH 7.4) containing 1 nM to 20 &#956;M test compound, 3.2 mM magnesium chloride, 0.2 pmol human CYP3A4 (BD Biosciences), 0.5 mM reduced nicotinamide adenine dinucleotide phosphate (NADPH) and 3 &#956;M Luciferin-IPA (Promega) at 37° C. for 10 minutes. The volume of the reaction solution was 50 &#956;L/well. The 30-minute pre-incubation group was incubated at 37° C. for 30 minutes before adding tire substrate, the Luciferin-IPA solution (12.5 &#956;L/well). At the end of the enzyme reaction, 50 &#956;L/well of a Luciferin detection reagent (Promega) was added to the wells, and the plate was left at room temperature for 20 minutes. Then, the emission intensities were measured with Infinite M1000 (TECAN). The enzyme activities (%) relative to the value of the group to which the test compound was not added were calculated. A dose-response curve was drawn using analysis software, GraphPad Prism (GraphPad Software), and the concentration of each compound that exhibited 50% inhibition, IC50, was calculated. As a comparative example, aprepitant, which is an NK1 receptor antagonist, was tested in the same manner.
3493	1	Kinase Profile Screening Assay	Briefly, according to the requirements of different kinase reactions, 0.2 &#956;L test compound (50 &#956;M, dissolved in dimethyl sulfoxide (DMSO)) is added to reaction buffer containing specific kinase (the buffer system containing 20 mM MOPS, 1 mM EDTA, 0.01% Brij-35, 5% Glycerol, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA, or 50 mM TRIS, 0.1 mM EGTA, 0.1 mM Na3VO4, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA, based on the type of kinase used). Subsequently, a kinase specific substrate at a final concentration of 50 &#956;M (specific substrate used for specific kinase), 10 mM Mg Acetate and isotope-labeled &#947;-33P ATP (radio-activity of about 500 cpm/pmol) are sequentially added to a total volume of 10 &#956;L for the reaction system. After incubation at room temperature for 40 min, the reaction is terminated by adding 3% phosphoric acid solution. The mixture is then transferred to a filter-type low temperature spray dryer (P30 filtermat), and washed by 75 mM phosphoric acid solution for 3 times and by methanol once. After drying, radio-activity is detected. 
3496	1	FLIPR Assay	Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by Fluorescent Imaging Plate Reader (FLIPR) technology available from Molecular Devices, LLC, U.S.A. Orexin mediated increases in intracellular Ca2+ concentration were readily detected upon activation with orexin-A. Twenty-four hours prior to the assay, RBL-2H3 cells stably expressing either human orexin receptor 1 or human orexin receptor 2 were seeded in cell culture medium in black, clear-bottom 384-well plates (commercially available from Corning Inc., U.S.A.) and grown overnight at 37° C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (commercially sold by Molecular Devices, LLC, U.S.A.) for 1 hour at 37° C., 5% CO2. Test compounds (at 10 point half log concentration response curves from 10 &#956;M) were added to cells for 15 minutes prior to the addition of orexin-A to all wells, to achieve a final concentration that produces approximately an 80% maximal response. 
3497	1	KinaseGlo Assay	PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Mass., USA). The % inhibition for the compounds is calculated using ATP only (100% inhibition) and PKR+ATP (0% inhibition). 
3497	2	Kinase Assay	VEGFR2: Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
3497	3	Kinase Assay	PDGFR&#946;: Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 300° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
3498	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. 
3501	1	TR-FRET Assay	[MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay is set up using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557), human full length MEK1 kinase (Cat No. 14-706) and human full length active MAP Kinase 2/ERK2 (Cat No. 14-536) enzymes procured from Upstate. TR-FRET (Time resolved fluorescence resonance energy transfer) detection technology is used for the read out. The assay buffer solution contains 50 mM Tris pH 7.5, 10 mM MgCl2 , 1 mM DTT, 0.01% Tween 20, 0.1 nM activated BRAF, 2 nM inactive MEK1,10 nM inactive ERK2, 1 mM ATP and 500 nM long chain biotin-peptide substrate (LCB- FFKNIVTPRTPPP) in a 384 well format. The kinase reaction is stopped after 90 minutes with 10 mM EDTA and Lance detection mix (2 nM Eu-labeled phospho-serine/threonine antibody (Cat. No. AD0176-Perkin Elmer), 20 nM SA-APC (Cat No. CR130-100-Perkin Elmer) is added. The TR-FRET signal (Excitation at 340 nm, Emission at 615 nm and 665 nm) is read with 50 &#956;s delay time on a Victor3 V fluorimeter. 
3504	1	Omnia Kinase Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog #267462). Omnia Tyr Peptide #4 (for TrkA) or #5 (for TrkB), as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP for TrkA assay or 1 mM ATP for TrkB assay, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. IC50 values were then calculated from these rates using either a 4 or 5-parameter logistic curve fit.
3506	1	Ca2+ Mobilization In Vitro Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5×104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist (2S)-2-amino-4-phosphonobutanoic acid (L-AP4) was added to the cells at a concentration corresponding to EC20 with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of L-AP4 was determined immediately ahead of each experiment by recording of a full dose-response curve of L-AP4.
3507	1	Biochemical Assay	 I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 in DMSO. II. HDAC reaction buffer: 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2, Added fresh: 1 mg/ml BSA, 1% DMSO. III. Substrate: Fluorogenic HDAC General Substrate for HDAC1, 2, 3, 6, 10, 11 ans Sirt1, 2 and 3: Arg-His-Lys-Lys(Ac); HDAC8 only substrate: Arg-His-Lys(Ac)-Lys(Ac); Class2A Substrate (HDAC4, 5, 7 and 9): Acetyl-Lys(trifluoroacetyl)-AMC; Sirt5 substrate: Ac-Lys(succinyl)-AMC. IV. General Reaction Procedure: (Standard IC50 determination) a. Delivered 2× enzyme in wells of reaction plate except No Enzyme (No En) control wells. Add buffer in No En wells. b. Delivered compounds in 100% DMSO into the enzyme mixture by Acoustic technology (Echo550; nanoliter range). Spin down and pre-incubation. c. Delivered 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 &#956;M of Nicotinamide adenine dinucleotide (NAD+) in all Sirt assay) in all reaction wells to initiate the reaction. Spin and shake. d. Incubated for 1-2 hr. at 30° C. with seal. e. Added Developer with Trichostatin A (or TMP269 or NAD+) to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau. V. Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation.
3512	1	Inhibitory Activity Assay	The following method was used to determine the inhibitory activity of the compounds of the present invention on SGLT1 and SGLT2. The experimental method is summarized as follows:SGLT1 and SGLT2 transiently transferred HEK293 cells were seeded in a 96-well plate. The density of the cells was 1-1.5×104. The cells were cultured at 37° C. and 5% CO2 for 48 hours, and then washed twice with 200 &#956;L sodium-free buffer. 90 &#956;L sodium-containing buffer of the test compound at different concentrations was added to the well. Each test compound was repeated in three wells for each concentration. The cells were cultured at 37° C. for 15 minutes, then 10 &#956;L (in number 0.1 &#956;Ci [14C]) Methyl &#945;-D-glucopyranoside was added to each well of the 96-well plate. The cells were further cultured at 37° C. for 2 hours, then the supernatant was discarded. The cells were washed twice with pre-chilled sodium-free buffer and then dissolved in 100 &#956;L NaOH (200 mM). 100 &#956;L scintillation solution was added, and mixed well. Scintiloscope was used for the quantitative detection of 14C.
3513	1	Biological Assay	The kinase IC50 was determined by a commercialized CISBIO kinase detection kit, HTRF KinEASE-STK S2 kit (62ST2PEC). ROCK2 (01-119) employed in the reaction was purchased from Carna Biosciences.Before the assay, the following working solutions as needed were formulated with corresponding reagents according to the instruction of the kinase detection kit: 1×kinase buffer, 5×STK-52 substrate working solution (1.5 &#956;M) and 5×ATP working solution (1.5 &#956;M), 5×ROCK2 kinase working solution, 4×Streptavidin-XL665 working solution, and 4×STK-Ab-Cryptate 2 detection solution. Then the assay was performed according to the following procedure.A solution of a compound at a concentration of 10000 nM was prepared with the 1×kinase buffer containing 2.5% DMSO. Gradient dilution of the solution of the compound was performed with the kinase buffer containing DMSO, so as to obtain solutions of a test compound at 9 different concentrations. In addition to wells of test compounds, a positive well (containing all the reagents except the compound) and a negative well (containing all the reagents except the test compound and kinase) were set. Except for the control wells (positive and negative wells), a solution of a test compound (4 &#956;L) was added to each of the reaction wells, and a solution of 2.5% DMSO was added to the control wells. Then the substrate (2 &#956;M, i.e., 2 &#956;L 5×STK-S2 substrate working solution) was added to each of the reaction wells. The 5×ROCK2 kinase working solution (2 &#956;L, containing 1.4 ng ROCK2 kinase) was added to each of the reaction wells except for the negative well, the volume of which was made up with the 1×kinase buffer (2 &#956;L). The 5×ATP working solution (2 &#956;L) was added to each of the reaction wells, and the mixtures were incubated at room temperature for 2 hours. After the kinase reaction was complete, the 4×Streptavidin-XL665 working solution was added to each of the reaction wells, the solutions were mixed, followed by immediate addition of the 4×STK-Ab-Cryptate 2 detection solution (5 &#956;L), and the mixtures were incubated at room temperature for 1 hour. The fluorescence signal was read on ENVISION (Perkinelmer) (excitation wavelength: 320 nm, and emission wavelength: 665 nm and 615 nm). The inhibitory rate in each well was calculated based on the fluorescence intensity value: ER (Emission Ratio)=(fluorescence intensity at 665 nm/fluorescence intensity at 615 nm); inhibitory rate=(ERpositive&#8722;ERtest compound) (ERpositive&#8722;ERnegative)*100%. Curves were plotted and fitted to obtain the median inhibitory concentration (IC50) of each teat compound with the PRISM 5.0 software.
3514	1	Mammalian One Hybrid (M1H) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR was performed as follows.The cDNA part encoding the FXR ligand binding domain was cloned into vector pCMV-BD (Stratagene) as a fusion to the yeast GAL4 DNA binding domain under the control of the CMV promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM_005123 (RefSeq). The plasmid pFR-Luc (Stratagene) was used as the reporter plasmid, containing a synthetic promoter with five tandem repeats of the yeast GAL4 binding sites, driving the expression of the Photinus pyralis (American firefly) luciferase gene as the reporter gene. In order to improve experimental accuracy the plasmid pRL-CMV (Promega) was cotransfected. pRL-CMV contains the constitutive CMV promoter, controlling the expression of the Renilla reniformis luciferase. All Gal4 reporter gene assays were done in HEK293 cells (obtained from DSMZ, Braunschweig, Germany) grown in MEM with L-Glutamine and Earle&#39;s BSS supplemented with 10% fetal bovine serum, 0.1 mM nonessential amino acids, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL at 37° C. in 5% CO2. Medium and supplements were obtained from Invitrogen. For the assay, 5×105 cells were plated per well in 96 well plates in 100 &#956;L per well MEM without Phenol Red and L-Glutamine and with Earle&#39;s BSS supplemented with 10% charcoal/dextran treated FBS (HyClone, South Logan, Utah), 0.1 mM nonessential amino acids, 2 mM glutamine, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL, incubated at 37° C. in 5% CO2. The following day the cells were >90% confluence. Medium was removed and cells were transiently transfected using 20 &#956;L per well of a OptiMEM-polyethylene-imine-based transfection-reagent (OptiMEM, Invitrogen; Polyethyleneimine, Aldrich Cat No. 40,827-7) including the three plasmids described above. MEM with the same composition as used for plating cells was added 2-4 h after addition of transfection mixture. Then compound stocks, prediluted in MEM were added (final vehicle concentration not exceeding 0.1%). Cells were incubated for additional 16 h before firefly and renilla luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282, 158-161). All experiments were done in triplicates.
3515	1	BACE-1 Ki Assay (BACE-1 HTRF FRET Assay)	The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the tables above.The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide.A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE-1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE-1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE-1 enzyme. Inhibition of BACE-1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE-1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 milisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined &#956;m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE-1.
3515	2	BACE-2 Assay	The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the tables above.Inhibitor IC50s at purified human autoBACE-2 were determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are pre-incubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay was initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1× BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm was collected for 400 ms following a 50 s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data was normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. IC50 values were determined by nonlinear regression analysis (sigmoidal dose response, variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent respectively. Similar IC50s were obtained when using raw RFU data. The Ki values were calculated from the IC50 using the Cheng-Prusoff equation.
3516	1	IRAK4 Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
3518	1	IRAK4 Kinase Assay	The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosphorylation is measured using the IMAP technology (Molecular Devices) where the phosphorylated fluorescent substrate binds to the large M(III)-based nanoparticles which reduces the rotational speed of the substrate and thus increases its fluorescent polarization (FP).20 &#956;L reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecular Devices), 100 &#956;M ATP, 1 mM DDT, 1 mM MgCl2, and 0.01% Tween 20. The reaction is initiated by the addition of ATP. After incubation for 30 minutes at 25° C., 60 &#956;L of Progressive IMAP Reagent (Molecular Devices) is added to stop the reaction. Change in RP7030&#39;s FP is determined by a FP reader (Analyst HT, LJL BioSystems).
3519	1	PI3-Kinase HTRF Assay	A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used specific, high affinity binding of the GRP1 pleckstrin homology (PH) domain to PIP3, the product of a Class 1A or 1B PI3 Kinase acting on its physiological substrate PIP2. During the detection phase of the assay, a complex was generated between the GST-tagged PH domain and biotinylated short chain PIP3. The biotinylated PIP3 and the GST-tagged PH domain recruited fluorophores (Streptavidin-Allophycocyanin and Europium-labeled anti-GST respectively) to form the fluorescence resonance energy transfer (FRET) architecture, generating a stable time-resolved FRET signal. The FRET complex was disrupted in a competitive manner by non-biotinylated PIP3, a product formed in the PI3 Kinase assay.PI3 Kinase &#945;, &#946;, &#947; or &#948; activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore Corporation. Purified recombinant PI3K&#945; (catalogue No. 14-602-K), PI3K&#946; (catalogue No. 14-603-K), PI3K&#947; (catalogue No. 14-558-K), and PI3K&#948; (catalogue No. 14-604-K) were obtained from Millipore Corporation. Purified recombinant PI3K enzyme was used to catalyze the phosphorylation of phosphatidylinositol 4,5-bisphosphate (PIP2 at 10 &#956;M) to phosphatidylinositol 3,4,5-trisphosphate (PIP3) in the presence of 10 &#956;M ATP. The assay was carried out in 384-well format and detected using a Perkin Elmer EnVision Xcite Multilabel Reader. Emission ratios were converted into percent inhibitions and imported into GraphPad Prism software. The concentration necessary to achieve inhibition of enzyme activity by 50% (IC50) was calculated using concentrations ranging from 20 &#956;M to 0.1 nM (12-point curve). IC50 values were determined using a nonlinear regression model available in GraphPad Prism 5.
3522	1	IRAK4 Enzymatic DELFIA Assay, Protocol B	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with the human IRAK4 kinase domain (aa 154-460) construct to characterize IRAK4 inhibitor and control compounds at 0.6 mM ATP (KM). The final amount of enzyme in the assay is 114 pM IRAK4 kinase domain, final concentration of substrate is 200 nM, and final concentration of DMSO is 5%.The test compound was solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 2 mM primary compound concentration, and then diluted in DMSO in a four-fold series for a total of 10 data points. Compounds were prepared as a 20-fold multiple of the final in-assay concentrationTo begin the assay, 45 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 228 pM phosphorylated recombinant human IRAK4 kinase domain (aa 154-460; GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 96-well, U-Bottom Plates (Corning Life Sciences). 5 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 15 minutes at room temperature. Then 50 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 400 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) were added to start the reaction. The reaction was incubated for 90 minutes at room temperature and stopped by the addition of 25 &#956;L 0.5M EDTA.100 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (EvenCoat Streptavidin Coated Plates, 96-Well, R&D Systems) and incubated for 30 minutes at room temperature. The plates were washed 4 times with 100 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody (Cell Signaling Technology) diluted 1:5000, plus Anti-Rabbit IgG EuN1 at 0.242 &#956;g/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4× with 100 &#956;L per well of PBS containing 0.05% Tween-20. Then 100 &#956;L per well of DELFIA Enhancement Solution were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission detection.
3522	2	IRAK4 Enzymatic DELFIA Assay, Protocol A	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with the human IRAK4 FL (Full Length) construct to characterize IRAK4 inhibitor and control compounds at 0.6 mM ATP (KM). The final amount of enzyme in the assay is 0.1 nM IRAK4 FL, final concentration of substrate is 50 nM, and final concentration of DMSO is 2.5%.The test compound was solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 4 mM primary compound concentration, and then diluted in DMSO in a four-fold series for a total of 11 data points. Compounds were prepared as a 40-fold multiple of the final in-assay concentration.To begin the assay, 19 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 0.21 nM Full-length phosphorylated recombinant human IRAK4 (GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 384-well, U-Bottom Plates (Corning Life Sciences). 1 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 20 minutes at room temperature. Then 20 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 100 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) was added to start the reaction. The reaction was incubated for 60 minutes at room temperature and stopped by the addition of 20 &#956;L 0.3M EDTA.50 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (DELFIA streptavidin coated plates, 384-well, white plates, Perkin-Elmer Life Sciences) and incubated for 30 minutes at room temperature. The plates were washed 4× with 75 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody at 0.125 &#956;g/mL (Cell Signaling Technology), plus Anti-Rabbit IgG EuN1 at 0.25 ug/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4× with 50 &#956;L per well of PBS containing 0.05% Tween-20. Then 50 &#956;L per well of DELFIA Enhancement Solution (Perkin-Elmer Life Sciences) were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission wavelength for detection.
3524	1	MTT assay	pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt&#39;s) lymphoma cells, a cell line known to highly express MCT1 and to be sensitive to small molecule MCT inhibitors,4 are shown in Table 2. Assay protocols follow those described in the literature.
3527	1	FLIPR Assay in PAR4-Expressing HEK293 Cells	FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism, agonism, and selectivity against PAR1. The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, PAR1/PAR4-expressing HEK293 cells were grown in DMEM (Life Technology, Grand Island, N.Y.) containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin, 10 &#956;g/mL blasticidin, and 100 &#956;g/mL Zeocin at 37° C. with 5% CO2. Cells were plated overnight prior to the experiment in a black 384-well Purecoat Amine clear bottom plate (Becton Dickinson Biosciences, San Jose, Calif.) at 10,000 cells/well in 30 &#956;L growth medium and incubated in a humidified chamber at 37° C. with 5% CO2 overnight. Prior to compound addition, the cell medium was replaced with 40 &#956;L of 1× calcium and magnesium-containing Hank&#39;s Balanced Saline Solution (HBSS) (with 20 mM HEPES) and 1:1000 diluted fluorescent calcium indicator (Codex Biosolutions, Gaithersburg, Md.). After a 30 minute incubation period at 37° C. and a further 30 minute incubation and equilibration period at room temperature, 20 &#956;L test compound (diluted in 1×HBSS buffer) was added at various concentrations at 0.17% dimethyl sulfoxide (DMSO) final concentration. Changes in fluorescence intensity were measured using a Functional Drug Screening System (FDSS, Hamamatsu, Japan) to determine agonist activities. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;L of agonist peptide for antagonist activity measurement. The PAR4 agonist peptide (H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2) and the PAR1 agonist peptide (SFFLRR) were routinely tested to ensure a proper response at the EC50 value in the assay ( 5 &#956;M for PAR4 agonist peptide and 2 &#956;M for PAR1 agonist peptide). Compound potency was derived from 11-point concentration-response curves.
3883	1	Steroid Inhibition of TBPS Binding	TBPS binding assays using rat brain cortical membranes in the presence of 5 &#956;M GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987, 241, 346-353; Hawkinson et al, Mol. Pharmacol. 1994, 46, 977-985; Lewin, A. H et al., Mol. Pharmacol. 1989, 35, 189-194).Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means ±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
3884	1	RAF Kinase Activity	The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal type and B-RAFV600E using Kinase Profiling Service (Invitrogen, U.S.) according to the manufacturer&#39;s instructions. The levels of enzymatic inhibition of the compounds were calculated as percent inhibition at various concentrations. Based on percent inhibition, dose-response curves were plotted using GraphPad Prism software.
3884	2	FMS, DDR1 and DDR2 Kinases Activity	As such, the compounds prepared in Examples were tested for inhibitory activity against FMS, DDR1 and DDR2 kinases using Kinase Screening and Profiling Service (Invitrogen, U.S.).
3885	1	TNF or CD40L-Induced HEK-Blue Assay	Test compounds serially diluted in DMSO were plated in an assay plate (LABCYTE, Cat. # LP-0200) at final concentrations ranging from 0.004 &#956;M to 25 &#956;M. TNF&#945; (final concentration 0.5 ng/ml) or CD40L (final concentration 30 ng/ml) in assay buffer [DMEM, 4.5 g/l glucose (Gibco, Cat. 21063-029), 10% FBS (Sigma, F4135), 1% Penicillin-Streptomycin (Gibco, Cat. 15140-122), 1% Anti-Anti (Gibco, Cat. 15240-112) and 2 mM L-glutamine (Gibco, Cat. 25030-081)] was then added to the assay plate. After a 30 minute pre-incubation at 37° C. and 5% CO2, HEK-Blue -CD40L cells (INVIVOGEN, Cat. Code hkb-cd40) containing a NF-kB-driven secreted alkaline phosphatase reporter gene were seeded into the assay plate at a density of 20,000 cells per well. This plate was then incubated for 18 h at 37° C. and 5% CO2. Secreted alkaline phosphatase expression was measured using QUANTI-Blue (INVIVOGEN, Cat. Code rep-qb1) according to manufacturer&#39;s specifications and the assay plate was read on a PerkinElmer Envision at 620 nm.Inhibition data for the test compound over a range of concentrations was plotted as percentage inhibition of the test compound (100%=maximum inhibition). IC50 values were determined after correcting for background [(sample read&#8722;mean of low control)/(mean of high control&#8722;mean of low control)] where by the low control is DMSO without stimulation and high control is DMSO with stimulation. The IC50 is defined as the concentration of test compound which produces 50% inhibition and was quantified using the 4 parameter logistic equation to fit the data.
3886	1	Biological Assays	The utility of the compounds of the invention as an inhibitor of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art and as described as follows. Inhibition constants (IC50s; the concentration of compound required to provide 50% of maximal activity) are determined as follows. The compounds of the invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO (Chinese hamster ovary) dhfr&#8722; cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif., USA) were treated with various concentrations of each of the tested compounds of the invention and the Ca2+ response was monitored on a FLIPR384 instrument (Molecular Devices, Sunnydale Calif., USA). Maximal agonist activity was measured in the presence of 2,500 nM glutamate and the inhibition provided by a range of compound concentrations sufficient to minimally and maximally inhibit the glutamate-dependent response was monitored over time. The maximum calcium response at each concentration of compound for agonist or antagonist were plotted as dose responses and the curves were fitted with a four parameter logistic equation giving IC50 and Hill coefficient using the iterative non-linear curve fitting software ADA (Merck & Co., Inc.). Data in the following table lists the activity of each compound to inhibit glutamate-dependent mGluR2 activity in this cellular assay.
3887	1	Measurement of Human MGAT2 Inhibitory Activity	A full-length human MGAT2 gene to which a Flag-tag had been added at the N-terminal was inserted into pFastBac (from Invitrogen). A recombinant baculovirus was produced in accordance with the protocol for a Bac-to-Bac baculovirus expression system (produced by Invitrogen), and Sf-9 cells were infected therewith. The cells were collected and sonicated, and then the membrane fraction was collected through centrifugation. Western blotting analysis with an anti-Flag antibody was performed for the membrane fraction to confirm expression, and the membrane fraction was used as a recombinant human MGAT2 enzyme solution. Solutions of the compounds of the present invention in DMSO were each aliquoted into 0.2-&#956;L portions in a 384-well polystyrene microplate produced by Corning Incorporated, and 5 &#956;L of an enzyme solution prepared with an assay buffer (100 mmol/L phosphate buffer (pH 7.4) containing 2 mmol/L DTT) and 5 &#956;L of a substrate solution (100 mmol/L phosphate buffer (pH 7.4), 30 &#956;mol/L 2-Oleoylglycerol, 10 &#956;mol/L Oleoyl-CoA) were added thereto, and the resultant was stirred and centrifuged, and incubated in a moist chamber at room temperature for 1 hour. After enzymatic reaction, 50 &#956;L of a quenching solution (containing 0.2 &#956;mol/L Diolein-d5, 0.4% formic acid, and 50% isopropanol) containing Internal Standard (IS) was added to terminate the reaction, and the resultant was sealed in a plate produced by Shimadzu GLC Ltd., and then stirred and centrifuged, and measurement was performed by using an electrospray ionization method with a RapidFire360 and Agilent 6550 Q-TOF mass spectrometer. Diolein as a reaction product (P) of 2-Oleoylglycerol as the substrate and an ammonium adduct ion of the IS were detected, and the peak intensity ratio, P/IS, was calculated from the peak heights to evaluate the inhibitory activity. Inhibitory activities with/without addition of enzyme were defined as Control (+)/Control (&#8722;), respectively, and the respective % inhibitions were defined as 0% inhibition and 100% inhibition. The inhibitory activity was calculated from the formula below with TIBCO Spotfire (produced by TIBCO Software Inc.):Inhibitory activity (%)=[1&#8722;{Sample&#8722;Control(&#8722;)}/{Control(+)&#8722;Control(&#8722;))}]*100where Sample indicates a peak intensity ratio: P/IS, when the compound of the present invention was added. 
3888	1	BIOLOGICAL ASSAY	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
3889	1	Ki Determination for Genotypes 1b and 3a NS3 Protease	Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipeptide substrate Ac-DED(Edans)-EEAbu&#936;[COO]ASK(Dabcyl)-NH2 and a synthetic peptide containing the hydrophobic core residues of the NS4A protein cofactor (KKGSVVIVGRIILSGRKK; NS4A peptide) were obtained from Anaspec, Inc. (San Jose, Calif.). Other chemicals and biochemicals were of reagent grade or better and were purchased from standard suppliers.Reactions were run at room temperature in buffer consisting of 50 mM HEPES, 40% glycerol, 0.05% Triton X-100, 10 mM DTT, and 10% DMSO. The final assay solutions contained 50 pM NS3 genotype 1 b protease or 200 pM genotype 3a protease, 20 &#956;M NS4A peptide, and 4 &#956;M substrate (genotype 1b) or 2 &#956;M substrate (genotype 3a). Inhibitor concentrations varied from 100 nM to 5 pM in 3-fold dilutions, and no-inhibitor controls were included.Compound dilutions were made in DMSO at 20× final concentration. Reaction mixtures were prepared in 96-well assay plates. A solution of enzyme and NS4A peptide in assay buffer (25 &#956;L volume with both reagents at 4× final concentration) was mixed with 45 &#956;L assay buffer and 5 &#956;L of either inhibitor or DMSO, and pre-incubated at room temperature for 1 hour. The reaction was started by addition of 25 &#956;L substrate solution at 4× final concentration. Plates were mixed vigorously for 5-10 seconds and reactions were allowed to proceed for 90 minutes, fluorescence was measured every 30 s between 90 and 120 minutes reaction time using a Tecan InfiniTe M1000 or PerkinElmer Envision multimode plate reader with an excitation wavelength of 340 nm and an emission wavelength of 490 nm.Rates were calculated from the progress curves at steady state, in the time frame of 90-120 minutes after addition of substrate. To determine the Ki, rates were plotted as a function of inhibitor concentration, and the data were fit with equation 1 (Morrison, J. F., Biochimica et Biophysica Acta 1969, 185, 269-286) to calculate Ki app using GraphPad Prism 5. Active fraction of enzyme was determined by active site titration with known potent inhibitors. Ki was calculated from Ki app/(1+[[S]/Km]).
3900	1	GPR120 pERK AlphaScreen SureFire Assay	The human and mouse GPR120-mediated intracellular phosphorylated ERK assays were also established using CHO-K1 cells stably transfected with the short form of human or mouse GPR120 receptor. Cells were cultured in growth medium consisting of F-12 media (Invitrogen Cat. #11765) with 5% Charcoal/Dextran FBS (Invitrogen Cat. #12676-029) and 500 &#956;g/mL GENETICIN (Life Technologies Cat. #10131-027). Cells were cryo preserved at a concentration of 3×106 cells/mL, in 70% F-12, 20% Charcoal/Dextran FBS and 10% DMSO, and frozen in liquid nitrogen at a low passage number.For the pERK assay, 3×106 cells/mL cryopreserved human and mouse cells were thawed rapidly in a 37° C. water bath and added to a T-225 flask containing 50 mL growth medium. The flasks were placed in a tissue culture incubator overnight (37° C., 5% CO2). The next day, cells were harvested with trypsin (Gibco Cat. #25300-054), resuspended in serum-containing growth medium and counted using a Cellometer and volume adjusted to a concentration of 0.5×106 cells/mL. Cells were plated into 384-well clear bottom tissue culture plates (BD Cat. #353962) at 50 &#956;L/well, for a density of 25,000 cells/well using a MULTIDROP and incubated for 16-18 hours (overnight) at 37° C. with 5% CO2. The next day, cells were washed once with 50 &#956;L of PBS without Ca++/Mg++ (Gibco Cat. #14190-036) and serum starved in 25 &#956;L of F-12 media without any serum or antibiotics for 2 hours at 37° C.
3904	1	In Vitro Urat1 Assay	A plasmid (EX-T4563-M03, GeneCopoeia) containing the full-length human URAT1 gene (SLC22A12) was transfected into Flp-InT-REx-293 cells to construct URAT1 high-expression cell 293/hURAT1. The transfected cells were assayed for ability to uptake uric acid labelled with radioisotope. The test compounds were then evaluated for their activity by determining of their ability to block uric acid uptake by the transfected cells.293/h URAT1 cells were plated at a density of 40000 cells/well in poly D-lysine-coated 96-well plates (BD, 356461) and incubated overnight. The medium was removed and a pre-warmed reaction buffer was added (125 mM sodium gluconate, 4.8 mM potassium gluconate, 1.3 mM calcium gluconate, 1.2 mM potassium dihydrogen phosphate, 1.2 mM magnesium sulfate, 5.6 mM glucose, 25 mM HEPES, pH 7.4) before incubating at 37° C. for 10 minutes. The buffer was removed and another reaction buffer containing 50 &#956;M 14C-uric acid (American Radiolabeled Chemicals, ARC0513) and the test compounds or solvent control was added before incubating at 37° C. for 5 minutes. The buffer was removed, and the plates were washed 3 times with the buffer. Cells were lysed by adding 100 mM NaOH for 20 minutes. Cell lysates were transferred to Isoplate-96 well plates (PerkinElmer, 6005040), mixed with liquid scintillators and were counted in a MicroBeta2 (PerkinElmer) counter.The test compounds were all dissolved in DMSO, and DMSO of the same concentration without the test compounds was used as a solvent control. The amount of uric acid uptake by the cells in the DMSO solvent control was taken as 100%, and the inhibition of uric acid uptake by cells in the test wells for each compound was calculated as a percentage. The IC50 of each compound was calculated using the percentage of inhibition at different concentrations.
3905	1	BACE Assay	For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fused to a myc-his tag and secreted from HEK293/BACEect. cells into OptiMEM (Invitrogen) as enzyme source and a substrate peptide derived from the APP-Swedish mutation which possesses a Cy3-fluorophore at the N-terminus and a Cy5Q-quencher at the C-terminus (Cy3-SEVNLDAEFK-Cy5Q-NH2; Amersham). The substrate was dissolved at 1 mg/mL in DMSO.The assay was performed in the presence of 5 &#956;l OptiMEM (supernatant collected over 24 hours and cleared from cellular debris by centrifugation) containing the ectodomain of BACE, 25 &#956;l water containing the desired concentration of test compound and 1% DMSO, 1 &#956;M substrate peptide, 20 mM NaOAc, pH 4.4 and 0.04% Triton-X100 in a total assay volume of 50 &#956;l in a 384 well plate. In general, 25 &#956;l of compound dilution were given to the plate followed by the addition of 10 &#956;l of BACE containing OptiMEM diluted 1:2 in water with 0.2% Triton X-100. The reaction was started with the addition of 15 &#956;l substrate in NaOAc buffer. The reaction was incubated at 30° C. in a fluorimeter and the cleavage of the substrate was recorded as kinetic for 60 min. at ex: 530 nm, em: 590 nm. Blank wells containing either no inhibitor or no enzyme were included on each plate.The intensity of fluorescence was regressed against time in order to derive velocities of reaction in all 384 wells. These velocities were used for calculating percent inhibition using an uninhibited control containing 1% DMSO and a fully inhibited control incubations performed in the absence of enzyme. IC50 values were calculated by fitting percent inhibition vs. inhibitor concentration using standard software like GraphPadPrism.
3906	1	Inhibition of Tautomerase Activity of Human MIF	Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously reported protocols (Taylor et al., Biochemistry, 1999, 38, 7444-7452). HPP was dissolved in 0.5 M acetate buffer, pH 6.0 to a final concentration of 10 mM and incubated overnight at room temperature to allow equilibration of the keto and enol forms. MIF (6 &#956;L) was premixed in 500 mM boric acid, pH 6.2 (142 &#956;L) and transferred to a transparent U bottom 96-well plate to a final concentration of 50 nM MIF. At this concentration high signal-to-noise and linearity were observed after analysis of progress curves for enol production at different protein concentrations. Inhibitors were dissolved in DMSO to 10 mM and an initial screen was performed. For compounds that showed ca. 25% or greater inhibition at 10 &#956;M, an inhibition constant, was measured.Compounds were placed into wells (2 &#956;L) at 6 different concentrations and incubated for 30 minutes until the assay was started by addition of HPP (504) at two concentrations (1.0 and 2.5 mM). The negative control was MIF incubated with DMSO vehicle, which in all assays was 1% and did not influence tautomerase activity. MIF activity was monitored at 305 nm for formation of the borate-enol complex using an Infinite F500 plate reader (TECAN, Morrisville, N.C.) for 175 seconds. Calculation of initial velocities and the nonlinear regression analyses for the enzyme kinetics were repeated three times with the program Prism6 (GraphPad, La Jolla, Calif.).Data obtained for the Example compounds, obtained using the methods described in Example B, are provided in Table 3. Results are also included for a reference compound ISO-1 (Chang, K. F.; Al-Abed, Y. Bioorg. Med. Chem. Lett. 2006, 16, 3376-3379; Balachandran, S. et al. Bioorg. Med. Chem. Lett. 2009, 19, 4773-4776). X-ray crystal structures were obtained for complexes of 3a, 3b, and 3v (Examples 1, 2, and 21) with human MIF as described below in Example C, which confirm the binding of these inhibitors in the tautomerase active site.
4089	1	FS-3 Assay	The FS-3 assay to identify ATX inhibitors was preformed as follows: 3 &#956;l of standard inhibitor and test compounds were added to an assay plate. To each assay well, containing test compounds or standard, 24 &#956;l of human Autotaxin enzyme (2 nM) was added. The assay plate was then centrifuged at 1000 rpm for 1 minute and allowed to incubate at 37° C. for 30 minutes. Following the incubation period each plate was read in a fluorescence plate reader (Spectra Max M5: excitation: 494 nm and emission: 520 nm) and IC50 values were derived from inhibition of FS-3 fluorescence.
4090	1	Pharmacological Activity Assay	MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the presence of ascorbate, which reacts with MPO-derived hypochlorous acid (HOCl) to form dehydro-ascorbate. The loss of ascorbate is followed by measuring absorbance at 260 nm.Assay buffer: 100 &#956;M diethyl triamine pentaacetic acid (DTPA) in buffer consisting of 10 mM Na2HPO4/NaH2PO4, 3 mM KCl in 140 mM NaCl, pH 7.4.Enzyme solution: MPO purified from the human cell line HL60, 1.38 nM (final concentration 0.7 nM) and L-ascorbate, 100 &#956;M (final concentration 50 &#956;M) in Assay bufferSubstrate solution: H2O2, 98 &#956;M (final concentration 49 &#956;M)Forty &#956;L of the enzyme solution was added to 0.6 &#956;L compound serially diluted in DMSO. Absorbance was measured at 260 nm to obtain a compound blank value. After an additional 10 min, 40 &#956;L of the substrate solution was added and the absorbance at 260 nm was recorded between 4 and 40 min to obtain kinetic readings of enzyme activity. IC50 values of the compounds tested were obtained using recordings of absorbance at 260 nm 20 minutes after substrate addition and calculated using standard procedures.TPO: To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with methionine, which is converted to dehydro-methionine, which in turn is detected by reacting it with excess iodide at acidic pH. The reaction converts I&#8722; to I3 &#8722; that has absorbance at 353 nm. In brief, 0.6 &#956;L compound serially diluted in DMSO was added to 25 &#956;L 50 nM baculovirus-expressed recombinant human TPO (obtained from RSR Ltd, Cardiff, UK) in assay buffer (100 mM Na2HPO4/NaH2PO4, pH 7.4), after which absorbance at 353 nm was read to obtain a blank value. The enzyme reaction was initiated by the addition of 25 &#956;L of a mix consisting of 2 mM methionine, 20 &#956;M NaI and 100 &#956;M H2O2 in assay buffer, and stopped by the addition of 10 &#956;L catalase, 0.25 mg/mL. After an additional 5 min, 25 &#956;L 600 mM sulphuric acid followed by 25 &#956;L 100 mM KI were added, and absorbance at 353 nm was read 5 min after this addition. IC50 values of the compounds tested were obtained using standard procedures.
4185	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10^((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 &#956;M or less are considered active.
4187	1	Binding Assay	The GABAA&#945;5/&#946;3/&#947;2 protein used for the Scintillation Proximity Assay was derived from membranes produced from HEK293 GABAA &#945;5/&#946;3/&#947;2 expressing HEK293 cell line. HEK293 GABAA &#945;5/&#946;3/&#947;2 expressing HEK293 cell line was cultured, then harvested and centrifuged the cells. Membranes were produced by homogenization of the cell pellet with a tissue homogenizer. The resulting homogenate was centrifuged at 48,000 g for 30 minutes, re-suspended and washed twice with 10 mM potassium phosphate buffer, pH 7.4. Final resuspension of membranes took place in buffer containing 10 mM potassium phosphate and 100 mM KCl.For assay, test compound (50×) was added 0.5 &#956;l per well to a white-walled clear-bottomed 384-well plate.Full signal controls were prepared by the addition of 0.5 &#956;l of DMSO to the appropriate wells. Mixture of 10 &#956;l of protein and 10 &#956;l of PVT-WGA beads (0.2 mg/well) were added to the plate. Both protein and bead were diluted to the desired concentration with 10 mM potassium phosphate, pH 7.4, containing 100 mM KCl. The plate was pre-incubated for 30 minutes at room temperature with shaking before initiation of the reaction by the addition of radioligand. 5 &#956;l of [3H]-Ro15-1788 was added at a concentration of 30 nM (5×) and the plates sealed. The reaction mix was incubated at room temperature overnight with gentle agitation on a plate shaker. The final DMSO concentration for all phases of the screening was 2% (v/v). At the end of the overnight incubation, the plates were centrifuged for two minutes at 1,000 rpm prior to reading on a Perkin Elmer Microbeta.
4291	1	BINDING ASSAY	The following assay can be used for determination of GPR43 activation. When a GPCR is in its active state, either as a result of ligand binding or constitutive activation, the receptor couples to a G protein and stimulates the release of GDP and subsequent binding of GTP to the G protein. The alpha subunit of the G protein-receptor complex acts as a GTPase and slowly hydrolyses the GTP to GDP, at which point the receptor normally is deactivated. Activated receptors continue to exchange GDP for GTP. The non-hydrolysable GTP analog, [35S]GTP&#947;S, was used to demonstrate enhance binding of [35S]GTP&#947;S to membranes expressing receptors. The assay uses the ability of GPCR to stimulate [35S]GTP&#947;S binding to membranes expressing the relevant receptors. The assay can, therefore, be used in the direct identification method to screen candidate compounds to endogenous or not endogenous GPCR.
4298	1	HTRF Assay	Binding of the two tandem bromodomains, BRD4-1 and BRD4-2, to an acetylated histone H4 peptide was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay. The synthetic peptide containing amino acids 1-18 of histone H4 was acetylated at lysine 5, 8, 12, 16 and conjugated to biotin (SGRGACKGGACKGLGACKGGAACKRH-GSGSK-biotin [SEQ ID NO:1]) was purchased from Millipore. BRD4-1 and BRD4-2 were expressed and purified from Escherichia coli as N-terminal His6-tagged proteins. An XL665 labeled anti-His antibody (Cisbio) was used to specifically bind BRD4 and a cryptate labeled streptavidin protein was used because it specifically recognized the biotinylated H4 peptide. Binding of BRD4 to the peptide resulted in an increase in FRET signal whereas disruption of this protein-peptide interaction with a small molecule inhibitor resulted in a decrease in FRET signal. Assays were performed in 50 mM Hepes (pH 7.5), 150 mM NaCl, 0.1 mg/ml BSA, 0.01% (v/v) Brij, 0.5% (v/v) DMSO and 200 nM H4 peptide at the following concentrations for each BRD4 isoform: 60 nM BRD4-1 and 120 nM BRD4-2. After an assay reaction time of 60 minutes at 25° C., binding was measured with 2 nM cryptate labeled streptavidin and 10 nM anti-His-XL665 antibody. TR-FRET signal was detected on an Envision plate reader (Ex: 320 nm; Em: 615/665 nm; 100 &#956;s delay and 200 &#956;s read window). Data were normalized based on a positive (2 &#956;M I-BET) and negative (DMSO) controls and IC50 values were calculated from the fit of the dose-response curves to a four-parameter equation. All IC50 values represent geometric mean values of a minimum of four determinations. 
4557	1	scintillation proximity assay (SPA)	Test A1 and A2: In order to identify binding to the human MR LBD a scintillation proximity assay (SPA) was adapted to the 384-well format. The MR-LBD (amino acids T729-K985) was expressed as N-terminal fusion with maltose binding protein in Hi5 insect cells by co-infection with recombinant MBP-MR LBD and P23 baculoviruses and crude protein lysate was used in the assay. Tritiated aldosterone is used as the ligand to generate the scintillation signal when brought into proximity of the scintillation (SPA) bead by binding to the MR LBD and test compound affinity (in IC50 values) is defined as the concentration to decrease tritiated aldosterone binding to the MR LBD by 50%.Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at rt. Compounds were tested in a 7 (Test A1) or 10 (Test A2) concentration response curve ranging from 10 nM to 10 &#956;M (Test A1) or 1 nM to 37 &#956;M (Test A2). Compounds were spotted at the bottom of a well of a 384-well PE Opti-Plate to yield final DMSO concentrations in the assay of 2%. Pre-made MBP-MR/P23 lysate: 3H-aldosterone mix (final assay concentration 7 &#956;g/mL MBP-MR LBD/P23 lysate; 5 nM aldosterone) was added onto the top of the spotted compound and preincubated for 1 h at RT. After 1 h an equal volume anti-rabbit SPA beads (Test A1) or Imaging beads (Test A2) coupled with rabbit anti-MBP were added to the assay mixture and incubated for 3 hrs (Test A1) or >8 h (Test A2) at rt. The inhibition of the scintillation signal by displacement of the bound 3H-aldosterone by test compounds is measured by scintillation counting using a Microbeta Trilux (Wallac) (Test A1) or a by CCD camera detection using a LEADseeker (PerkinElmer) (Test A2).
4583	1	FLIPR Ca2+ Flux Assay	n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents are from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. 
5329	1	Enzyme Assay	Compounds were assessed in ALK1-6 enzymatic assays. Specifically, compounds were assayed using LANCE Ultra ULight technology (Perkin Elmer) against human ALK1-6 enzymes (ALK1: Life Technologies, ALK2-6: Carna Biosciences). Briefly, ALK enzyme (10 nM) was prepared in kinase buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 3 mM MgCl2, 0.005% Tween-20 and 2 mM DTT) and dispensed at 2.5 &#956;L/well into a 1536 well, white, solid bottom, microtiter plate (Greiner, 789175-F). Negative controls for the assay were generated by adding one column containing kinase buffer only. Compounds in DMSO solution were transferred to the assay plates at 23 nL/well via a NX-TR pin tool workstation (WAKO, San Diego, Calif.) and incubated with enzyme for 10 minutes at ambient temperature. ULight Topo IIa Substrate (50 nM) was prepared in kinase buffer containing either 10 &#956;M or 1000 &#956;M ATP and dispensed at 2.5 &#956;L/well into the assay plate. Following a 1 hour incubation at ambient temperature, Europium anti-phospho DNA Topoisomerase 2-alpha antibody (4 nM) was prepared in 1× LANCE detection buffer containing 12 mM EDTA and dispensed at 5 &#956;L/well into the assay plate. Plates were measured using the EnVision plate reader (Perkin Elmer), with excitation 320 nm and emissions of 615 nm and 665 nm.
5411	1	Biochemical Assay	The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was then subcloned into the destination vector pDEST20 to obtain the N-terminal Glutathione S-transferase (GST)-tagged fusion protein. GST-TNKS1 P was then expressed in Sf21 cells using the Invitrogen baculovirus expression system (Invitrogen-Bac-to-Bac Baculovirus Expression System, Version D). The protein was purified by a GSTrap column (GE Healthcare). The N-terminal GST-tagged tankyrase 2 protein PARP domain, TNKS2P, was cloned, expressed, and purified in a similar manner. Human PARP1 (Cat. No. 4668-100-01) and activated DNA (Cat. No. 4671-096-06) were purchased from Trevigen, Inc. PARP2 (Cat. No. ALX-201-064-C020) was purchased from Alexis Biochemical.The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nicotinamide as readout. Compound activity in inhibiting the TNKS and PARP auto-parsylation was evaluated by IC50 measurements. In the compound screening assays, the reaction is composed of 5 &#956;L of compound in 8-point serial dilutions with concentrations ranging from 0.0086 to 18.75 &#956;M, 20 nM of purified enzyme, and 250 &#956;M of p-NAD+ in the 1× Assay Buffer. After 60 min incubation at room temperature, the reactions were quenched by the addition of 10 &#956;L of 5× quenching solution (20% formic acid and 500 nM [d]-nicotinamide in water).
5437	1	High Throughput Syk Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 &#956;L reaction mixture contained 20 &#956;M ATP, 1 &#956;M biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 &#956;L of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percent inhibition was calculated as follows: 10% Inhibition=100×(RatioSample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition) where 0.1% DMSO (0% inhibition) was the negative control and 1 &#956;M K252a (100% inhibition) was used as the positive control. Activity of the compounds of Examples 1-7 are provided in the following table, demonstrating the compounds are Syk inhibitors with IC50 below 50 nM.
13219	1	CYP2C9, CYP2D6 and CYP3A4 Enzymatic Activity Assay	1. Preparation of 100 mM phosphate buffered saline (PBS): 7.098 g of Na2HPO4 was weighed, 500 mL of pure water was added and subjected to ultrasonic dissolution to obtain solution A. 3.400 g of KH2PO4 was weighed, 250 mL of pure water was added and subjected to ultrasonic dissolution to obtain solution B. Solution A was placed on a stirrer and solution B was slowly added until the pH value reached 7.4 to prepare 100 mM PBS buffer.2. Preparation of 10 mM NADPH solution with 100 mM PBS buffer. The 10 mM stock solution of the compound of the present disclosure was diluted with DMSO to obtain a 200× concentration of compound working solution (6000, 2000, 600, 200, 60, 20, 0 μM). The stock solution of positive inhibitors was diluted with DMSO to obtain a 200× concentration of positive inhibitor working solution (sulfaphenazole, 1000, 300, 100, 30, 10, 3, 0 μM; quinidine/ketoconazole, 100, 30, 10, 3, 1, 0.3, 0 μM). A 200× concentration of substrate working solution (120 μM diclofenac, 400 μM dextromethorphan, and 200 μM midazolam) was prepared with water, acetonitrile, or acetonitrile/methanol.3. 2 μL of 20 mg/ml liver microsome solution, 1 μL of substrate working solution, 1 μL of compound working solution and 176 μL of PBS buffer were taken, mixed uniformly, and pre-incubated in a 37° C. water bath for 15 min. To the positive control group was added 1 μL of sulfaphenazole, quinidine or ketoconazole working solution instead of compound working solution. A 10 mM NADPH solution was also pre-incubated in the 37° C. water bath for 15 min. After 15 min, 20 μL of NADPH was taken and added to each well to initiate the reaction, and the reaction was incubated at 37° C. for 5 min (CYP2C9), 20 min (CYP2D6) or 5 min (CYP3A4). Double samples were set for all incubation samples. After the corresponding time of incubation, 400 μL of glacial methanol containing internal standard was added to all samples to stop the reaction. The mixture was mixed uniformly by vortex and centrifuged at 3220 g for 40 min at 4° C. After the completion of the centrifugation, 100 μL of the supernatant was transferred to a loading plate, and 100 μL of ultrapure water was added and mixed uniformly for LC-MS/MS analysis.
5561	1	Inhibition of IDH1 R132H in a Biochemical Assay	IDH1 R132H catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption is determined by luminescence.The biochemical reactions were carried out at 32° C. in a 384-well titre plate in a reaction volume of 41 &#956;L in each case and under the following buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used at a final concentration of 1.5 nM. Test compounds were assayed in a concentration range of 0.002 to 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, after which 40 &#956;L of a detection mixture (0.75 &#956;g/ml luciferase, 0.02 U/ml oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% glycerol, 0.01% Tween 20, 0.05% BSA) were added. The luminescence was determined using a luminescence reader (10 seconds measurement time, 1 second integration period, 30% sensitivity). The drop in luminescence is proportional to the activity of mlDH1. IC50 values were determined by interpolation from plots of the relative luminescence against the inhibitor concentration.
5611	1	Enzymatic Activity Assay	The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamate produced by the glutaminase reaction is used by glutamate oxidase to produce &#945;-ketoglutarate, ammonia, and hydrogen peroxide, with this hydrogen peroxide subsequently being used by horseradish peroxidase to produce resorufin in the presence of Amplex UltraRed. The assay buffer consisted of 50 mM Hepes (pH 7.4), 0.25 mM EDTA and 0.1 mM Triton X-100. GAC was incubated with potassium phosphate (10 minutes at room temperature) prior to incubation with inhibitor (10 minutes at room temperature). The final reaction conditions were as follows: 2 nM GAC, 50 mM potassium phosphate, 100 mU/mL glutamate oxidase (Sigma), 1 mM glutamine (Sigma), 100 mU/mL horseradish peroxidase (Sigma), 75 &#956;M Amplex UltraRed (Life Technologies), and 1% (v/v) DMSO. The production of resorufin was monitored on a Perkin Elmer Envision plate reader (excitation 530 nm, emission 590 nm) either in a kinetics or endpoint mode (at 20 minutes). IC50 values were calculated using a four-parameter logistic curve fit.
5813	1	Activity Assay	Human: Test Example 1. Human GnRHr (GnRH Receptor) Activity Assay of the Present Compounds.In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on the activity of human GnRHr protein expressed by Human GnRHr/CHO stably transfected cell lines.1. Experimental Materials and Equipments1) Fluo-4 NW Calcium Assay Kits (F36206, Invitrogen)2) DMEM/F12 (SH30023.01B, Thermo)3) G418 (11811-031, Invitrogen)4) FlexStation3 Microplate Reader2. Experimental ProtocolA mammalian expression vector containing the human GnRHr gene was transferred into CHO cells by adding Lipofectamine LTX reagent containing Plus . Antibiotics were added the next day for screening to pick out the monoclonal cell lines.The Human GnRHr/CHO stably transfected cell lines were inoculated in 96-well plates with an inoculation density of 25,000 cells/well. The culture medium was removed the next day, and loading buffer containing Fluo-4 dye was added to the plate (100 &#956;L/well) and incubated for 30 minutes at 37° C. The plate was moved to room temperature and equilibrated for 10 minutes. Each compound was diluted with DMSO to seven concentration gradients of 100 &#956;M, 10 &#956;M, 1 &#956;M, 0.1 &#956;M, 0.01 &#956;M, 0.001 &#956;M, 0.0001 &#956;M. Then, 1 &#956;l of each gradient was added to each well and incubated for 10 minutes at room temperature. After automated addition of 50 &#956;L of GnRH polypeptide stimulant solution, the value was immediately detected at 494/516 nM by a microplate reader (flexstation 3). IC50 values of the compounds were calculated by software from different fluorescence signals at various corresponding concentrations.
5813	2	Activity Assay	Monkey: This assay was used to determine the inhibition effect of the present compounds on the activity of monkey GnRHr protein expressed by monkey GnRHr/CHO stably transfected cell lines.1. Experimental Materials and Equipments1) Fluo-4 NW Calcium Assay Kits (F36206, Invitrogen)2) DMEM/F12 (SH30023.01B, Thermo)3) G418 (11811-031, Invitrogen)4) FlexStation3 Microplate Reader2. Experimental ProtocolA mammalian expression vector containing the monkey GnRHr gene was transferred into CHO cells by adding Lipofectamine LTX reagent containing Plus . Antibiotics were added the next day for screening to pick out the monoclonal cell lines.The monkey GnRHr/CHO stably transfected cell lines were inoculated in 96-well plates with an inoculation density of 25,000 cells/well. The culture medium was removed the next day, and loading buffer containing Fluo-4 dye was added to the plate (100 &#956;L/well) and incubated for 30 minutes at 37° C. The plate was moved to room temperature and equilibrated for 10 minutes. Each compound was diluted with DMSO to seven concentration gradients of 100 &#956;M, 10 &#956;M, 1 &#956;M, 0.1 &#956;M, 0.01 &#956;M, 0.001 &#956;M, 0.0001 &#956;M. Then, 1 &#956;l of each gradient was added to each well and incubated for 10 minutes at room temperature. After automated addition of 50 L of GnRH polypeptide stimulant solution, the value was immediately detected at 494/516 nM by a microplate reader (flexstation 3). IC50 values of the compounds were calculated by software from different fluorescence signals at various corresponding concentrations.
5813	3	Activity Assay	Rabbit: This assay was used to determine the inhibition effect of the present compounds on the activity of rabbit GnRHr protein expressed by rabbit GnRHr/CHO stably transfected cell lines.1. Experimental Materials and Equipments1) Fluo-4 NW Calcium Assay Kits (F36206, Invitrogen)2) DMEM/F12 (SH30023.01B, Thermo)3) G418 (11811-031, Invitrogen)4) FlexStation3Microplate Reader2. Experimental ProtocolA mammalian expression vector containing the rabbit GnRHr gene was transferred into CHO cells by adding Lipofectamine LTX reagent containing Plus . Antibiotics were added the next day for screening to pick out the monoclonal cell lines.The rabbit GnRHr/CHO stably transfected cell lines were inoculated in 96-well plates with an inoculation density of 25,000 cells/well. The culture medium was removed the next day, and loading buffer containing Fluo-4 dye was added to the plate (100 &#956;L/well) and incubated for 30 minutes at 37° C. The plate was moved to room temperature and equilibrated for 10 minutes. Each compound was diluted with DMSO to seven concentration gradients of 100 &#956;M, 10 &#956;M, 1 &#956;M, 0.1 &#956;M, 0.01 &#956;M, 0.001 &#956;M, 0.0001 &#956;M. Then, 1 &#956;l of each gradient was added to each well and incubated for 10 minutes at room temperature. After automated addition of 50 &#956;L of GnRH polypeptide stimulant solution, the value was immediately detected at 494/516n M by a microplate reader (flexstation 3). IC50 values of the compounds were calculated by software from different fluorescence signals at various corresponding concentrations.
5439	1	Biochemical Fluorescence Intensity Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l.Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.001 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555; Boston Biochem) at a final concentration of 100 nM. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 487 nm; &#955; Emission 535 nm.
5496	1	Biological Assay	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 mg/ml bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per ml in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 ml SF9 lysate per 15 ml of diluted ROR&#947;-LBD.
5816	1	Enzyme Inhibition Assay	Materials: Human neutrophil elastase was purchased from Calbiochem (Cat.No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bachem (Cat.No.: I-1270). All other materials were of the highest grade commercially available.The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA.Assay conditions: Test compounds were prediluted in DMSO and subsequently in compound buffer (5% DMSO final). 5 &#956;L of these compound dilutions were mixed with 10 &#956;l Neutrophil elastase (9 ng/ml in assay buffer) in a black 384 well OptiPlate (Perkin Elmer, Cat No.: 6007270) and incubated for 15 min at room temperature. Subsequently 10 &#956;L substrate solution in assay buffer were added (250 nM final concentration) and the plates were incubated for 60 min at room temperature. After inactivation of the enzyme, fluorescence intensities were measured at 380 nm excitation and 460 nm emission wavelengths.
5969	1	cAMP Assay 	Four days prior to the assay, 5,000 Chinese hamster ovary cells (CHO-K1, ATCC #CCL-61) stably expressing the human SSTR2 are plated in each well of a 96-well tissue culture-treated plate in Ham&#39;s F12 growth media (ThermoFisher #10-080-CM) supplemented with 10% donor bovine serum (Gemini Bio-Products #100-506), 100 U/mL penicillin; 100 ug/mL streptomycin; 2 mM L-glutamine (Gemini Bio-Products #400-110) and 0.2 mg/mL hygromycin B (GoldBio #31282-04-9). The cells are cultured at 37° C., 5% CO2 and 95% humidity. On the day of the assay, the media is aspirated and the cells are treated with 50 &#956;L of 1.6 &#956;M NKH477 (Sigma #N3290) plus various dilutions of compounds of the invention in assay buffer [1× Hank&#39;s Balanced Salt Solution (ThermoFisher #SH3058802), 0.5 mM HEPES pH 7.4, 0.1% bovine serum albumin, 0.2 mM 3-Isobutyl-1-methylxanthine (IBMX, VWR #200002-790)]. The cells are incubated for 20 minutes at 37° C. (the final concentration of the compounds of the invention are typically 0-10,000 nM). The cells are treated with 50 &#956;L of lysis buffer (HRTF cAMP kit, Cisbio). The lysate is transferred to 384-well plates and cAMP detection and visualization antibodies are added and incubated for 1-24 hours at room temperature. The time-resolved fluorescent signal is read with a Tecan M1000Pro multiplate reader. The intracellular cAMP concentrations are calculated by regression to a standard curve and are plotted vs. the concentration of the compounds of the invention and the EC50 of the compounds are calculated using standard methods. All data manipulations are in GraphPad Prism v6.
5997	1	Inhibitory Activity Assay	Factor IX is a key component of the plasma system that forms a fibrin clot at a site of vascular injury. The activity of Factor IXa is measured by monitoring the cleavage of the fluorescent peptide, CH3SO2-D-CHG-Gly-Arg-AFC.AcOH ( CHG is cyclohexyl-glycine and AFC is trifluoro aminomethyl coumarin). Factor IXa cleaves the amide bond between Arg and AFC, thereby releasing the AFC fluorophore. The free AFC can be detected with a fluorescence detector at an excitation wavelength of 405 nM and emission wavelength of 510 nM.
5998	1	TBD	TBD
6018	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
6179	1	 Binding Assay	A competition binding assay (DiscoveRx KINOMEscan) was used to measure the ability of the compound to compete for binding of an immobilized adenosine triphosphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. The ability of the test compound to compete with the immobilized ligand was measured using quantitative polymerase chain reaction (qPCR) of the DNA tag.
6953	1	Kinase Binding Assay	TrkA binding activity was determined in a TrkA LanthaScreen Eu Kinase Binding Assay. 5 nM His-tagged recombinant human TrkA (6HIS tagged cytoplasmic domain from Invitrogen, Catalog No. PV3144) was incubated with 4 nM Alexa-Fluor Tracer 236 (Invitrogen Cat. No. PV5592), 2 nM biotinylated anti-His (Invitrogen Cat. No. PV6090), and 2 nM europium-labeled Streptavidin (Invitrogen Cat. No. PV5899), in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). Three fold serial dilutions of compounds of the invention in DMSO were added to a final percentage of 2% DMSO. After 60-minute incubation at 22° C., the reaction was measured using the EnVision mutlimode plate reader (PerkinElmer) via TR-FRET dual wavelength detection at 615 nM and 665 nM. The percent of control was calculated using a ratiometric emission factor.
8595	1	In Vitro Measurements of human D-Amino Acid Oxidase (DAAO) Activities	The hDAAO (human DAAO) activity was measured by using D-serine as a substrate to produce H2O2. The produced H2O2 would be oxidized by peroxidase, and the produced free radicals would further react with Amplex Red reagent to emit fluorescence. The intensity of fluorescence at 590 nm would be measured to represent the activity of hDAAO. All compounds were dissolved in DMSO. Each compound was diluted with DMSO in 3-fold serial dilution to create a 9-point dose response curve. Each sample was added in triplicate, 1 &#956;L/well, into 96-well black plates. Positive control wells were added with 1 &#956;L of DMSO. Then 49 &#956;L of assay buffer (100 mM Tris-HCl, pH 8.5) containing 1.2 ng/mL hDAAO, 900 nM FAD, 0.2 units/mL HRP, and 100 &#956;M Amplex Red was added to each well of the plate using a multichannel pipette. Next, 50 &#956;L of 100 mM D-Serine in assay buffer was added. The reaction plates were then incubated in the dark at room temperature. The fluorescence readout was detected at 0 and 20 minute by Molecular Device Gemini EM fluorescence reader using the following settings: excitation filter 530 nm, and emission filter 590 nm. The percentage of inhibition values for each well was calculated with the following equation:The percentage of inhibition=(fluorescencesample, 20 min&#8722;fluorescencesample, 0 min)/(fluorescenceDMSO, 20 min&#8722;fluorescenceDMSO, 0 min)×100%The nonlinear curve fitting model in GraphPad Prism 5 was used to calculate IC50 value for each compound.
8595	2	In Vitro Measurements of porcine D-Amino Acid Oxidase (DAAO) Activities	The pkDAAO (porcine kidney DAAO) activity was measured by using D-Proine as a substrate to produce hydrogen peroxide (H2O2). The produced H2O2 would be oxidized by peroxidase, and the produced free radicals would further react with 1,2-Phenylenediamine (OPD) reagent. The reaction product had an absorbance on 450 nm. The OD450 would be measured to represent the activity of pkDAAO. All compounds were dissolved in DMSO. Each compound was diluted with DMSO in 3 or 4-fold serial dilution to create a 9-point dose response curve. Each sample was added in triplicate, 10 &#956;L/well, into 96-well assay microplate. Positive control wells were added with 10 &#956;L of DMSO. The diluted compounds were incubated with pkDAAO in dark for 10 minutes and then reacted with D-Proline. The final reaction mixture was composed of 0.01 U/mL pkDAAO, 0.03% OPD, 25 U/mL HRP and 40 mM D-Proline in PBS. The reaction plates were then incubated in the dark at room temperature. The OD450 absorbance readout was detected at 0 and 20 minute by Molecular Device Spectra Max Plus reader. The percentage of inhibition values for each well were calculated with the following equation:The percentage of inhibition=(OD450sample, 20 min&#8722;OD450sample, 0 min)/(OD450DMSO, 20 min&#8722;OD450DMSO, 0 min)×100%The nonlinear curve fitting model in GraphPad Prism 5 was used to calculate IC50 value for each compound.
8596	1	Jarid1A Assay	The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
8596	2	Jarid1B Assay	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
8596	3	JMJD2C Assay	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temp for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at room temp. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
8597	1	Biochemical Assay	The MAO-Glo Assay (commercial available from PROMEGA, #V1402) provides a sensitive method for the measurement of monoamine oxidase (MAO) activity (Valley, M. P. et al., 2006, Anal. Biochem. 359: 238-246) from a variety of tissues, biofluids or recombinant expressed or purified enzymes. As substrate a derivate of the beetle luciferin ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazole-carboxylic acid) is used, which is oxidized at a primary amine moiety. After a spontaneous elimination and a catalyzed esterase reaction, the turnover of the luciferine by the luciferase is recorded as a signal of AOC3 activity.For the determination of AOC3 activity or compound inhibition potency, the compound inhibitors are dissolved in DMSO and adjusted to the respective assay concentration with reaction buffer (50 mM HEPES, 5 mM KCl, 2 mM CaCl2), 1.4 mM MgCl2, 120 mM NaCl, 0.001% (v/v) Tween 20, 100 &#956;M TCEP, pH 7.4). An aliquot of 3 &#956;L of the compound dilution is added to a 384 well plate (Optiplate, PS, flat bottom, white, PERKIN ELMER, #6007290) with a final DMSO concentration of 6.6%. Recombinant CHO cells, overexpressing the human (1500 cells/well), mouse (1000 cells/well) or rat (500 cells/well) AOC3 enzyme are diluted in reaction buffer and added in a volume of 15 &#956;L to the wells. After incubation for 20 minutes at 37° C., 2 &#956;L of MAO substrate (dissolved in DMSO at 16 mM, adjusted to assay concentration in reaction buffer to a final assay concentration of 20 &#956;M) is added and further incubated for 60 minutes at 37° C. The turnover of the substrate is determined by the addition of 20 &#956;L of the detection-mix which was generated by the addition of reconstitution buffer with esterase (PROMEGA, #V1402) to the luciferine detection reagent (PROMEGA, #V1402). After an incubation period of 20 minutes, the luminescent signal is measured with Envision 2104 Multilabel Reader (PERKIN ELMER).Alternative assays for the determination of the AOC3 enzymatic activity could be the extraction of 14C-labelled benzylamine reaction product or the Amplex Red Monoamine Oxidase reaction (Molecular Probes, Netherlands) as described in Gella et al. (Gella, A. et al., 2013, J. Neural Transm. 120: 1015-1018).
8598	1	IDO Biochemical Assay	0.17 &#956;M of human IDO protein was pre-incubated for 120 min at RT with test compounds in the presence of 50 mM KPO4, pH 7.0, 0.5 mM EDTA, 0.5 mM EGTA, 0.05% Triton X-100, 20 mM ascorbate, 500 U/ml catalase, 10 &#956;M methylene blue at RT in a 384 well plate. 0.05 &#956;g/&#956;l kynurenine formamidase and 45 &#956;M L-tryptophan (L-Trp) were added and the assays were incubated at RT for 40 min. Assays were stopped and the level of kynurenine was determined by incubation with Ehrlich&#39;s reagent to a final concentration of 1.33% at RT for 5 min. Fluorescence intensity was read at 475 nm/530 nm.
8599	1	BLT-1 cAMP Assay	The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP dynamic assay kit, Cisbio Cat. No. 62AM4PEC). HEK293 cells recombinantly expressing human BLT1 receptor, previously frozen in Recovery Medium (Life Technologies, Cat. No. 12648-010) were thawed and diluted into assay medium (HBSS (Hyclone SH 30268.01), 20 mM HEPES (Gibco 15630-106), 800 &#956;M IBMX (Sigma I5879), 0.1% DTPA BSA (Perkin Elmer CR84-100)). The cell suspension was centrifuged at 200×g for 10 min and then resuspended in fresh assay medium to a density of 2.5×105 cells/mL. A Labcyte Echo 550 acoustic dispenser was used to transfer 25 nL of test compound dissolved in DMSO into the wells of a dry 384-well plate (Greiner 784075). All subsequent liquid additions were performed using a BIORAPTR (FRD; Beckman Coulter). Next, 5 &#956;L of cell suspension was added and incubated for 20 min. at 37° C. and 5% CO2 in a humidified plastic tray. To test for agonist activity 51 &#956;L of assay buffer containing forskolin (Sigma F-6886. 4 &#956;M for BLT1) was added and incubated for 30 minutes at 37° C. and 5% CO2 in a humidified plastic tray. To test for antagonist activity 5 &#956;L of assay buffer containing forskolin (Sigma F-6886. 4 &#956;M for BLT1) and either LTB4 (Sigma Aldrich L0517; 2 nM BLT1) was added and incubated for 30 minutes at 37° C. and 5% CO2 in a humidified plastic tray.The levels of cAMP were detected using the CisBio kit following the manufacturer&#39;s instructions: cAMP-d2 vial was reconstituted with distilled water and then diluted accordingly with conjugate & lysis buffer. 5 &#956;L of cAMP-d2 working solution was added to all of the wells of the assay plate. cAMP-Cryptate vial was reconstituted with distilled water and then diluted accordingly with conjugate & lysis buffer. 5 &#956;L of cAMP-Cryptate working solution were added to the assay plate. The assay plate was shaken for 3 minutes and incubated at room temperature for 45 minutes, then read on Perkin Elmer Envision. cAMP standard curve and fit data were plotted using a 4 parameter dose response curve fitting algorithm to fit curve. A 4-parameter curve fit (Max, min, log EC50 and slope) was used to transform fluorescent 665 nm/615 nm ratio signal to cAMP concentration. After normalization to treated and untreated controls, the percent effect of signal at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was fit with a 4-parameter concentration response equation to calculate EC50 values. Compound concentrations tested were 10 000, 3 333, 1 111, 370.4, 123.4, 41.2, 13.7, 4.6, 1.5 and 0.5 nM with 0.25% residual DMSO.
8600	1	Enzyme-Linked Immunosorbent Assay	Enzyme-Linked Immunosorbent Assay.
8601	1	Intracellular cAMP Accumulation Assay	HEK293 cells stably expressing human APJ receptor were used to assess the activity of compounds. Cultured cells were detached and resuspended in the cAMP Homogeneous Time-Resolved Fluorescence (HTRF) assay buffer (Cisbio cat; #62AM4PEJ). The assay was performed in 384-well assay plates (Perkin-Elmer; cat #6008289) according to assay protocol provided by the manufacturer. Serial dilutions of a compound together with assay buffer containing 0.2 nM IBMX and 2 &#956;M forskolin were added to each well containing 5,000 cells and incubated for 30 minutes at room temperature. Subsequently, cAMP D2 reagent was added in the lysis buffer followed by the EuK antibody (Cisbio; cat #62AM4PEJ) and incubated for 60 min. The fluorescence emission ratio was measured using fluorometer. The intracellular cAMP concentrations (compound-stimulated inhibition of forskolin-mediated cAMP production) were calculated by extrapolation from a standard curve using known cAMP concentrations. The EC50 values were obtained by fitting the data to a sigmoidal concentration-response curve with variable slope. The maximal achievable inhibition of forskolin-induced cAMP levels (Ymax) for each compound was expressed as relative percentage of inhibition attained using pyroglutamated apelin-13 ((Pyr1)apelin-13) peptide, which was set to 100%.The examples disclosed below were tested in the APJ in vitro assays described above and were found having human APJ cyclic AMP (hcAMP) activity. The EC50 value of each compound is presented at the end of the example description.
8602	1	In Vitro Factor XIa Enzyme assay	Inhibitory activities of compounds of the present invention against factor XIa, Xa, XIIa, IXa, VIIa, plasma kallikrein or thrombin were evaluated using appropriate purified proteases and synthetic substrates. The rate of hydrolysis of the chromogenic substrate by the relevant protease was continuously measured at 405 nm. Inhibitory activity against each enzyme was calculated as % inhibition using the equation described below. % Inhibition=[[(rate without compound)&#8722;(rate with compound)]/(rate without compound)]×100%. Each half maximal inhibitory concentration (IC50) value was determined by plotting the concentration of compound of the invention against the % inhibition.Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
8602	2	In Vitro Factor Xa and Thrombin Enzyme  assay	Inhibitory activities of compounds of the present invention against factor XIa, Xa, XIIa, IXa, VIIa, plasma kallikrein or thrombin were evaluated using appropriate purified proteases and synthetic substrates. The rate of hydrolysis of the chromogenic substrate by the relevant protease was continuously measured at 405 nm. Inhibitory activity against each enzyme was calculated as % inhibition using the equation described below. % Inhibition=[[(rate without compound)&#8722;(rate with compound)]/(rate without compound)]×100%. Each half maximal inhibitory concentration (IC50) value was determined by plotting the concentration of compound of the invention against the % inhibition.Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/mL, respectively in the same buffer containing 150 mM NaCl, 2 mg/mL PEG6000, 50 mM Tris-HCl (pH7.4), except that the reactions were started with 300 &#956;M S-2222 (phenyl-Ile-Glu-Gly-Arg-pNA, Chromogenix) and 300 &#956;M S-2366, respectively.
8603	1	1 mM ATP Tyk2 Caliper Assay	Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10 uL of Tyk2 enzyme mix was added into wells, followed by 10 uL of substrate mix to start reaction. Reaction was incubated at 28° C. for 25 min and then added 25 uL stop buffer. The reaction mixture was read by a Caliper mass spectrometer. Final concentrations for assay conditions were: 25 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% Triton, 0.5 mM EGTA, 2 mM DTT, 10 mM MgCl2, TYK2 4 nM, ATP concentration 1000 uM, and P30 3 uM.
8604	1	In Vitro Factor XIa Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki. Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8604	2	In Vitro Plasma kallikrein Assay	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki. Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX ) at a concentration of 0.00008-0.0004 M.
8605	1	BTK Enzyme Activity Testing	In vitro activity of BTK is measured by detecting ADP produced in a kinase reaction with an ADP-Glo kinase assay kit from Promega Company. In the kinase assay, the kinase consumes ATP to phosphorylate the substrate, while producing ADP. ADP-Glo reagent then terminates the kinase reaction and completely consumes the remaining ATP. Finally, a kinase detection reagent is added to convert generated ADP into new ATP. Luciferase in the detection reagent is capable of catalyzing fluorescein with the participation of ATP and O2 to produce oxidized fluorescein, AMP, and generate light quantum, thereby converting a chemical signal into an optical signal (Luminecence). The intensity of optical signal is positively correlated with the production of ADP in the kinase reaction, so that the activity of kinase BTK can be thereby quantitatively determined.All assays are conducted at a constant temperature of 23° C., using a Corning 3674 Type white 384-well plate; the BTK kinase (full length with His-Tag) is expressed and purified internally by the company; the substrate of kinase is polypeptide (4:1 Glu,Tyr) (from SignalChem) and ATP (from Sigma); and a microplate reader EnVision (Perkin Elmer) is used for reading an optical signal. The assay buffer includes 40 mM Tris-HCl (pH 7.5), 10 mM MgCl2 (Sigma), 2 mM MnCl2 (Sigma), 0.05 mM DTT (Sigma), and 0.01% BSA (Sigma); the BTK kinase is diluted with the assay buffer to a concentration of 1.6 ng/uL as a kinase reaction solution; and the substrate reaction solution comprises 0.2 mg/mL polypeptide substrate and 50 uM ATP.Compound&#39;s IC50 is calculated from 10 concentration points by the following method. The compound is dissolved and diluted in 100% DMSO to a concentration of 1 mM, followed by a serial 3× dilution with DMSO to a minimum concentration of 0.05 uM. Each concentration stock is further diluted 40× with the assay buffer. To a 384-well assay plate are added 1 uL of a series of compound solutions and 2 uL of the kinase reaction solution, followed by mixing homogeneously, and incubating in the dark at room temperature. After in the dark for 30 min, 2 uL of the substrate reaction solution is added to allowed the total reaction volume to 5 uL. The reaction mixture is incubated in the dark at room temperature in the dark for another 60 min. An equal volume of 5 uL ADP-Glo reagent is then added to terminate the reaction. The resulting mixture is homogeneously mixed, and stands at room temperature for 40 min. Finally, 10 uL of the kinase detection reagent is added, stands at room temperature for 30 min, and then a value is read on Envision.
8606	1	Binding to JNPL3 brain Hsp90	The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma globulin (BGG) (Panvera Corporation, Madison, Wis.) and 2 mM DTT (Fisher Biotech, Fair Lawn, N.J.) were freshly added. GM-cy3B, a specific Hsp90 ligand, was synthesized as previously reported (10) and was dissolved in DMSO to form 10 &#956;M solutions. Brains were homogenized in HFB with added protease and phosphatase inhibitors. Saturation curves were recorded in which GM-cy3B (3 nM) was treated with increasing amounts of brain homogenates. The Hill and Scatchard plot analyses of the experiment were constructed to show that at the low amounts of brain homogenates required to reach saturation, interaction from other cellular material was precluded. The amount of brain homogenate for which over 90% of GM-cy3B was Hsp90 bound at equilibrium (24 h) was chosen for the competition study. For the competition experiments, each 96-well contained 3 nM GM-cy3B, brain homogenate and tested inhibitor (initial stock in DMSO) in a final volume of 100 &#956;L. The plate was left on a shaker at 4° C. for 24 h and the fluorescence polarization values in mP were recorded. EC50 values were determined as the competitor concentrations at which 50% of GM-cy3B was displaced. Fluorescence polarization measurements were performed on an Analyst GT instrument (Molecular Devices, Sunnyvale, Calif.). For GM-cy3B, an excitation filter at 545 nm and an emission filter at 610 to 675 nm were used with a dichroic mirror of 565 nm. Measurements were taken in black 96-well microtiter plates.
8607	1	PI3K Enzyme Assay	PI3-Kinase luminescent assay kit including lipid kinase substrate, D-myo-phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), biotinylated I(1,3,4,5)P4, PI(3,4,5)P3 Detector Protein is purchased from Echelon Biosciences (Salt Lake City, Utah). AlphaScreen GST Detection Kit including donor and acceptor beads was purchased from PerkinElmer Life Sciences (Waltham, Mass.). PI3K&#948; (p110&#948;/p85&#945;) is purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, HEPES and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.). In some embodiments, the inhibitor of JAK1 and/or JAK2 is a compound of Table 1, or a pharmaceutically acceptable salt thereof. The compounds in Table 1 are selective JAK1 inhibitors (selective over JAK2, JAK3, and TYK2). The IC50s obtained by the method of Assay A at 1 mM ATP are shown in Table 1.
8608	1	Biological Assays	Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1.) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule probe (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
8609	1	IRAK4 Monocyte TNFalpha Cell Based Assay	Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco 200 mM L-alanyl-L-glutamine) (10 mM HEPES, 1× Pen-Strep, 55 &#956;M -mercaptoethanol, 1 mM Sodium pyruvate) media containing 10% FBS to 0.125×106 cells/ml and recovered at 37° C. for 2 hours. The cell suspension was then plated at a density of 5,000 cells/well onto black 384 well Greiner clear bottom plates. Plates were pre-spotted with test compounds and serially diluted in DMSO where 200 nL/well were delivered using the Echo 550 acoustic liquid dispenser (Labcyte ) for a final DMSO concentration of 0.5%. Plated cells were treated with compound for 1 hour at 37° C. Cells were then stimulated with 50 pg/ml of LPS (Sigma) excluding outside columns of plate used for unstimulated cell control wells. Cells were incubated for an additional 4 hours at 37° C. Cells were then spun out of the media and 5 &#956;l of sample were taken and analyzed for total TNF&#945; content using the TR-FRET Human TNF&#945; detection system (CisBio). This system utilizes two labeled antibodies (cryptate and XL665) that bind to two different epitopes of the TNF&#945; molecule and produce FRET signal proportional to the concentration of TNF&#945; in the sample. Detection antibodies are mixed 50:50 and 5 &#956;L were dispensed into each well. Plates were covered with clear seals and incubated at room temp overnight. The following morning plates were read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percent of control was calculated as follows:% Control=100×(RatioSample&#8722;Ratio0% stimulation)/(Ratio100% Stimulation&#8722;Ratio0% Stimulation)where unstimulated cells (0% stimulation) were the negative control and stimulated cells (100% stimulation) were used as the positive control.IRAK4 Biochemical Assay Procedure:IRAK4 enzyme (Carna Biosciences, Chuo-ku, Kobe, Japan) activity was measured by detecting phosphorylated peptide substrate formation using an antibody against the phosphorylated peptide substrate. This is a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on the STK1 KinEASE Assay (Cisbio, Bedford, Mass.). The assay was designed as a simple two-step, endpoint assay (a 5 &#956;l enzyme reaction followed by 5 &#956;l stop and detect Solution) performed in ProxiPlate-384 Plus plates (Perkin Elmer, Waltham, Mass.). Staurosporine, a non-selective kinase inhibitor was used as a positive control. Compounds diluted in DMSO were spotted into 384 well plates using a Labcyte Echo 550 Liquid Handling System prior to addition of IRAK4 enzyme and peptide substrate. Reaction solutions were delivered using a Multi-Flo (Bio-Tek Instruments). The enzyme and peptide solution was incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5 &#956;l reaction mixture contained 500 &#9633;M ATP, 2 &#9633;M peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 0.025% NP-40, 1 mM DTT). After 120 min of incubation at room temperature, 5 &#9633;l of Stop and Detect Solution (1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM Tracer in a 50 mM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm).
8610	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat#3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat# D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat# ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
8611	1	Human O-GlcNAcase enzyme inhibition assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
8612	1	Enzymatic Activity Assay	All enzymatic reactions were conducted in duplicate at room temperature for 17 hours in a 50 &#956;l mixture containing HDAC assay buffer (50 mM Tris-HCl, pH 7.4, 137 mM NaCl, 2.7 mM KCl, 0.05% Tween 20, 5 &#956;g BSA), an HDAC substrate, an HDAC enzyme, and a test compound. Compound dilution was prepared ten-fold higher than the final concentration of the compounds with 10% DMSO in HDAC assay buffer and 5 &#956;l of the dilution was added to a 50 &#956;l reaction so that the final concentration of DMSO is 1% in all of reactions. After enzymatic reactions, 50 &#956;l of HDAC Developer was added to each well and the plate was incubated at room temperature for an additional 20 minutes. Fluorescence intensity was measured at an excitation of 360 nm and an emission of 460 nm using a Tecan Infinite M1000 or Biotek Synergy microplate reader.The fluorescent intensity data were analyzed using the computer software, Graphpad Prism. In the absence of the compound, the fluorescent intensity (Ft) in each data set was defined as 100% activity. In the absence of HDAC, the fluorescent intensity (Fb) in each data set was defined as 0% activity. The percent activity in the presence of each compound was calculated according to the following equation: % activity=(F&#8722;Fb)/(Ft&#8722;Fb), where F=the fluorescent intensity in the presence of the compound.
8613	1	Enzyme Inhibition Assay	Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, Calif., USA); human recombinant catalytic domains of MMP-1, MMP-8, and MMP-9 were purchased from Enzo Life Sciences, Inc. (Farmingdale, N.Y., USA); human recombinant active ADAM9 and ADAM10 were purchased from R&D Systems (Minneapolis, Minn., USA). Fluorogenic substrates MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 (for MMP-2, MMP-7, MMP-9 and MMP-14) and MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 (for MMP-3) were purchased from Peptides International (Louisville, Ky., USA); Mca-KPLGL-Dpa-AR-NH2 (for MMP-1, MMP-8 and ADAM10) and Mca-PLAQAV-Dpa-RSSSR-NH2 (for ADAM9) were purchased from R&D Systems (Minneapolis, Minn., USA). The Km values for MMP-2, MMP-9 and MMP-14 were the same as previously reported by Gooyit et al. ((2013) J. Med. Chem. 56(20):8139-8150). Inhibitor stock solutions (10 mM) were prepared freshly in DMSO before enzyme inhibition assays. We followed the same methodology for enzyme inhibition studies as reported before by Page-McCaw et al. ((2007) Nat Rev Mol Cell Biol 8(3):221-233). Enzyme inhibition studies were carried out using a Cary Eclipse fluorescence spectrophotometer (Varian, Walnut Creek, Calif., USA). Compound 1 was stable in the buffers used in the kinetic assays.
8614	1	GTP&#947;S Assay 	The [35S]GTP&#947;S assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 &#956;g/ml saponin, 30 mM of MgCl2, 10 &#956;M of GDP, 5 &#956;g membrane-expressing hGPR43, 250 &#956;g of wheatgerm agglutinin beads (Amersham, ref: RPNQ001), a range concentration of compounds of the invention (from 30 &#956;M to 1 nM) in a final volume of 100 &#956;l for 30 min at room temperature. The SCFA propionate was used at 1 mM final concentration as positive control. The plates were then centrifuged for 10 minutes at 2000 rpm, incubated for 2 hours at room temperature and counted for 1 min in a scintillation counter (TopCount, PerkinElmer). The results of the tested compounds are reported as the concentration of the compound required to reach 50% (EC50) of the maximum level of the activation induced by these compounds.
8615	1	Fluorescence Polarization (FP)	In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to examine the effects of phosphodiesterase inhibitors (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE2 inhibitor, which can be any compound that is present at 5,000 times its Ki value in the assay described below, such as Bay 60-7550 (Ki- 0.2 nM) at 1 &#956;M concentration for 100% inhibition. Bay 60-7550 was obtained from Axxora via Fisher Scientific (cat# ALX-270-421-M025/cat# NC9314773). Put another way, any compound with Ki of 0.2 to about 2 nM could be used at 1 to 10 &#956;M. 0% of inhibition is determined by using DMSO (1% final concentrations).
8616	1	Inhibition Assay	Active PLK4 was purified from an E. coli expression system as an amino terminal GST fusion of residues 1-391 of human PLK4. The protein was purified from clarified cell extracts after induction at 15° C. overnight using glutathione sepharose, gel permeation chromatography, and ion exchange (Resource Q). The resulting protein was dephosphorylated with lambda phosphatase (NEB cat #P0753), and resolved from the phosphatase using gluthione sepharose. The dephosphorylated GST-PLK4 was stored in aliquots at &#8722;80° C. until use.PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 &#956;M ATP (Sigma cat #A7699), 50 mM HEPES-Na2+ pH 7.4, 10 mM MgCl2, 0.01% Brij 35 (Sigma cat #03-3170), in a 96 well microtitre plate pre-coated with MBP (Millipore cat #30-011). The reaction was allowed to proceed for 30 minutes, followed by 5 washes of the plate with Wash Buffer (50 mM TRIS-Cl pH 7.4 and 0.2% Tween 20), and incubation for 30 minutes with a 1:3000 dilution of primary antibody (Cell Signaling cat #9381). The plate was washed 5 times with Wash Buffer, incubated for 30 minutes in the presence of secondary antibody coupled to horse radish peroxidase (BioRad cat #1721019, 1:3000 concentration), washed an additional 5 times with Wash Buffer, and incubated in the presence of TMB substrate (Sigma cat #T0440). The colourimetric reaction was allowed to continue for 5 minutes, followed by addition of stop solution (0.5 N sulphuric acid), and quantified by detection at 450 nm with either a monochromatic or filter based plate reader (Molecular Devices M5 or Beckman DTX880, respectively).
8616	2	Inhibition Assay	Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer&#39;s instructions with 20 &#956;M ATP and 12 nM Aurora A (Invitrogen cat #PV3612). The % inhibition values were determined according to the manufacturer&#39;s directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS)
8616	3	Inhibition Assay	Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer&#39;s instructions with 128 &#956;M ATP and 28 nM Aurora B (Invitrogen cat #PV3970). The % inhibition values were determined according to the manufacturer&#39;s directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS)
8616	4	Inhibition Assay	PLK3 inhibition was determined using the Z-Lyte assay kit from Invitrogen (cat #PV3802). The assay was performed using the recommended manufacturer&#39;s instructions with 100 &#956;M ATP and 21 nM PLK3 (Invitrogen cat #PV3812). The % inhibition values were determined according to the manufacturer&#39;s directions and IC50 values were obtained using a non-linear 4 point logistic curve fit (XLfit4, IDBS).
8617	1	Kinase Assay	Btk kinase activity was determined using a homogenous time resolved fluorescence (HTRF) methodology. Measurements were performed in a reaction volume of 15 &#956;L using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 &#956;M peptide substrate were incubated in a reaction buffer compose of Hepes 50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of E&#956;-labeled antibody and XL-665 in 1× Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (&#955;Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nrm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls were used to determine baseline fluorescence levels.For LYN assay, [ATP]=20 &#956;M, LYN=0.12 n M. For LCK assay, [ATP]=20 &#956;M, LCK=0.2 nM. For BLK assay, [ATP]=20 &#956;M, BLK=0.6 n M.
8618	1	DPP-IV Activity Inhibition Tests In Vitro	DPP-IV could hydrolyze Gly-Pro-Aminoluciferin at room temperature to generate Aminoluciferin, which could produce glow type luminescent signals in a luciferase reaction system provided by a DPPIV-Glo protease test kit, and the strength of the luminescent signals was in direct proportion to the enzyme activity of DPP-IV.1. Experimental purposes:to evaluate the inhibition effects of compounds I-1 I-4 in the present invention by observing their activity inhibition to DPP-IV enzyme.2. Experimental materials:2.1 humanized recombinant DPP-IV: SIGMA product, article number D3446-10UG.2.2 DPPIV-Glo protease detection kit: Promega product, article number G8351.2.3 Trizma base: Sigma product, article number T6066-1KG: prepared into 10 mM Tris-HCl, pH 8.0.2.4 384 OptiPlate: PerkinElmer product, article number 6007299.2.5 Liquid treatment instrument: Bravo (Agilent company); Echo (Labcyte company).2.6 Detection instrument Envision (PerkinElmer company).3. Experimental methods:3.1 Diluting tested samples in a gradient dilution to ten concentrations by DMSO with Bravo, and then transferring 250 nl of samples to 384 OptiPlate with Echo.3.2 Diluting dipeptidyl peptidase IV (Sigma) to 0.2 ng/ml solution with 10 mM Tris-HCl (pH 8.0), adding the samples to be detected in, per well 25 &#956;l. Meanwhile, a blank control (including substrate but no enzyme and samples) and positive control (including substrate and enzyme but no samples) were also set up.3.3 Adding 25 &#956;l of DPPIV-Glo Reagent (prepared according to instructions in DPPIV-Glo protease detection kit, containing 20 &#956;M DPP-IV substrate Gly-Pro-Aminofluorescein and luciferase reaction system) into each well.3.4 Reacting at room temperature for 60 min, determining the luminescence intensity by Envision.3.5 Calculating the enzyme activity of DPP-IV according to the luminescence intensity, enzyme activity=(sample luminescence intensity values&#8722;blank control luminescence intensity values/(positive control luminescence intensity values&#8722;blank control luminescence intensity values)×100.3.6 Calculating IC50 of the samples according to the enzyme activity using GraphPad Prism5.0 software.
8619	1	Enzyme Assay	In vitro IDO1 enzymatic activity was determined in a mixture of 50 mM MES buffer at pH 6.5; 200 nM human IDO enzyme, 150 &#956;M L-Tryptophan, 2250 units/mL Catalase, 20 mM ascorbic Acid and 10 &#956;M Methylene Blue. The compounds were initially prepared in DMSO at 10 mM, then diluted in MES buffer to desired concentration. 25 &#956;L compounds were added to 96 well plate, followed by addition of 25 &#956;L 33.68 ng/&#956;L IDO1 in each well. The mixture was centrifuged for 1 minute, then pre-incubated at room temperature for 30 minutes. The reaction was started by the addition of 50 &#956;L mixture of 300 &#956;M L-Tryptophan, 4500 units/mL catalase and 20 &#956;M methylene blue in 50 mM pH6.5 MES buffer, and 40 mM ascorbic Acid in 0.405M pH 8.0 Tris HCl buffer. The resulting reaction mixture was incubated at 25° C. for 40 minutes. The reaction was terminated by adding 50 ul of 30% (w/v) trichloroacetic acid. The sample was further incubated for 30 min at 60° C. and centrifuged at 2000 rpm for 5 min to remove precipitated protein. The supernatant was used to mix with an equal volume of Ehrlich&#39;s reagent (2% w/v p-dimethylaminobenzaldehyde in glacial acetic acid), then mixture was incubated at room temperature for 10 minutes. OD value was read at 490 nm in a spectrophotometer. 
8619	2	Enzyme Assay	In vitro TDO enzymatic activity was determined in a mixture of 50 mM potassium phosphate buffer, pH 6.5; 200 nM human TDO enzyme, 300 &#956;M L-Tryptophan, 0.2 mg/mL Catalase, 20 mM ascorbic Acid and 20 &#956;M Methylene Blue. 100× compounds were prepared in DMSO from 1 mM, then diluted three fold, 8 doses in total. 2 &#956;L compounds were added to 96 well plate, followed by addition of 100 &#956;L 400 nM TDO and 0.4 mg/ml catalase in each well. The mixture was centrifuged for 1 minute, then pre-incubated at room temperature for 10 minutes. The reaction was started by the addition of 100 &#956;L mixture of 600 &#956;M L-Tryptophan, 40 &#956;M methylene blue and 40 mM ascorbic acid in 50 mM potassium phosphate buffer, pH 6.5. The resulting reaction mixture was shaken 30 secs and Kineticly read the plate in SpectraMax 384 at OD321 nm for 20 mins at RT. Copy slope data from Synergy program, and convert slope values to inhibition values. Percent inhibition=(max&#8722;conversion)/(max&#8722;min)*100. max stands for high control; min stands for low control. Fit the data in GraphPad Prism5.0 to obtain IC50 values.
8620	1	BVDV antiviral and plaque assays	To evaluate antiviral activity against BVDV, a single cycle virus yield reduction assay was performed in the presence of from 0.16 &#956;M to 100 &#956;M through 5-fold dilution. Specifically, 2×105 MDBK cells/well were plated in 24 well plates. Twenty four hours later, the cells were infected with BVDV at multiplicity of infection (MOI) of 0.5 PFU/cell in 100 uL complete media. After adsorption for 1 hour at 37° C., the inoculum was removed, and cells were washed with media before media containing vehicle or from 0.16 &#956;M to 100 &#956;M through 5-fold dilution of test compound was added. At 22 hours post infection, both cells and media were collected and freeze-thawed three times before the virus was tittered. For BVDV virus, titer determination, 10&#8722;2, 10&#8722;3, 10&#8722;4 dilutions of virus were inoculated onto MDBK cells as described previously. After absorption and washing the cells were overlaid with medium containing methylcellulose or soft agar and incubated at 37° C. for 3 days or until plaques were visible. Plaques were counted directly under the microscope or after staining with crystal violet in 70% methanol for 15 minutes.
8621	1	Fluorescence polarization assay 	Rhesus PDE9A2 was amplified from rhesus whole brain cDNA (Biochain Institute) essentially as described in Hutson, et al. Neuropharmacology (2011) 61(4):665-676. HEK 293 or CHO cells over-expressing rhesus or rat PDE9A2 (created by DiscoverX from mRNA Genbank accession # NM_138543) respectively were lysed in 20 mM HEPES, 1 mM EDTA buffer with protease inhibitors (Roche, Indianapolis, Ind.). After brief homogenization, cells were pelleted via centrifugation at 75,000×g for 20 min at 4° C. The pellets were re-suspended, centrifuged and re-pelleted again in the same manner. The membrane fraction was collected in 20 mM HEPES, 1 mM MgCl2 with protease inhibitors. Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139). IMAP technology has been applied previously to phosphodiesterase assays (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE9 inhibitor, such as 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-one (BAY 73-6691) (Wunder et al, Mol. Pharmacol., 2005, 68(6): 1775-81), (6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (PF-04447943) (Wager et al., ACS Chemical Neuroscience, 2010, 1:435-449). 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 (Labcyte, Sunnyvale, Calif.) is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. Rhesus membrane preps were diluted to 4 ng/ml, rat membrane preps diluted to 13 ng/ml, and human PDE9A2 diluted to 1 ng/ml. FAM-labeled cGMP substrate (Molecular Devices, Sunnyvale, Calif.) was at a concentration of 100 nM (Km of PDE9 for cGMP is 70-170 nM) in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). PDE9 enzyme mix and compounds were mixed and incubated at room temperature for 30 min. Following which, FAMcGMP substrate was added, shaken and incubated for an additional 60 min at room temperature. The final concentrations of rhesus and rat membrane preparations were 2 ng/ml and 6.5 ng/ml, respectively, while the human PDE9 was used at a final concentration of 0.5 ng/ml. The final concentration of FAM-cGMP was 50 nM. After the incubation period, the enzymatic reaction was stopped by addition of binding solution (IMAP-FP, Molecular Devices, comprised of 80% Solution A, 20% Solution B and a 1:600 dilution of binding reagent) to each well. The plates were shaken then incubated at room temperature for 1 h prior to determining the fluorescence polarization (mP) using a Perkin Elmer EnVision plate reader (Waltham, Mass.).
8622	1	in vitro enzymatic assay	The selectivity of compounds of the present invention was determined using a panel of recombinant human PDEs and an in vitro enzymatic assay (BPS Bioscience). Series of dilutions of each test compound were prepared with 10% DMSO in assay buffer and 5 &#956;l of the dilution was added to a 50 &#956;l reaction so that the final concentration of DMSO is 1% in all of reactions.The enzymatic reactions were conducted at room temperature for 60 minutes in a 50 &#956;l mixture containing PDE assay buffer, 100 nM FAM-cAMP, or 100 nM FAM-cGMP, a recombinant PDE enzyme and the test compound.After the enzymatic reaction, 100 &#956;l of a binding solution (1:100 dilution of the binding agent with the binding agent diluent) was added to each reaction and the reaction was performed at room temperature for 60 minutes.Fluorescence intensity was measured at an excitation of 485 nm and an emission of 528 nm using a Tecan Infinite M1000 microplate reader.Data AnalysisPDE activity assays were performed in duplicate at each concentration. Fluorescence intensity is converted to fluorescence polarization using the Tecan Magellan6 software. The fluorescence polarization data were analyzed using the computer software, Graphpad Prism. The fluorescence polarization (FPt) in absence of the compound in each data set was defined as 100% activity. In the absence of PDE and the compound, the value of fluorescent polarization (FPb) in each data set was defined as 0% activity. The percent activity in the presence of the compound was calculated according to the following equation: % activity=(FP&#8722;FPb)/(FPt&#8722;FPb)×100%, where FP=the fluorescence polarization in the presence of the compound.
8623	1	Biological Assay	The Inhibitory Activity of the Present Compounds on Human ROMK and Rat ROMK ChannelsThe method described hereafter was used for determining the inhibitory activity of the present compounds on human ROMK and rat ROMK channels.1. Materials and Instruments(1) FluxOR potassium ion channel assay (F10016, Invitrogen)(2) Ouabain (O3125-1G, Sigma)(3) FlexStation3 microplate reader (Molecular Devices)(4) Human ROMK/HEK293 cell: HEK293 cell line stably expressing the ROMK channel transfected by human ROMK cDNA (NCBI SEQ ID NO. NM-000220.4)(5) Rat ROMK/HEK293 cell: HEK293 cell line transfected by rat ROMK cDNA (NCBI SEQ ID NO. NM-017023.1) stably expressing the ROMK channel(6) HEK293 cell line: Cell Bank of Chinese Academy of Sciences, GNHu432. Experimental ProcedureExcept for ddH2O and Ouabain, all of the experimental reagents are from FluxOR Potassium Ion Channel Assay Kit and the formulation methods also refer to the kit instructions. (1) Human ROMK/HEK293 cell was seeded on PDL (Poly-D-lysine) coated plates at 20000 cells/well on the previous day; (2) After overnight culture, the plate medium was discarded; then according to the Fluxor Potassium Ion Channel Assay Kit instructions, the dye was added at 100 &#956;L/hole, and then incubated for 90 mins at room temperature; (3) The dye was then decanted and 1004, of assay buffer containing ouabain (30004) and probenecid were added in each well; (4) 1 &#956;L of compound or DMSO was added to the corresponding wells, shocked for 30 seconds, and incubated for 30 mins at room temperature; (5) The plates were placed in a FlexStation3 microplate reader, and then added with stimulation buffer (K2SO4: Tl2SO4: 1×FluxOR Chloride-free Buffer: ddH2O=3:12:40:125) at 25 &#956;L/well, then the value was read continuously for 5 mins at EX/EM of 490/525 nm immediately; and (6) The IC50 of the present compounds on human ROMK channel was obtained by data processing software Graphpad.
8623	2	Inhibitory Activity Assay	The method described hereafter is used for determining the inhibitory activity of the present compounds on hERG1. Materials and Instruments(1) FluxOR potassium ion channel assay (F10016, invitrogen)(2) FlexStation3 microplate reader (molecular devices)(3) hERG/HEK293 cell: HEK293 cell line stably expressing the hERG channel transfected by hERG cDNA (NCBI SEQ ID NO. NM-000238(RC215928, origene)).2. Experimental ProcedureExcept for ddH2O, all of the experimental reagents are from FluxOR Potassium Ion Channel Assay Kit and the formulation methods also refer to the kit instructions.(1) Human hERG/HEK293 cell was seeded on PDL (Poly-D-lysine) coated plates at 25000 cells/well on the previous day;(2) After overnight culture, the plate medium was discarded; then according to FluxOR potassium ion channel detection requirements operation, the dye was added at 100 &#956;L/hole, and then incubated for 90 mins at room temperature;(3) The dye was then decanted and 100 &#956;L of assay buffer containing 1004, probenecid were added in each well;(4) 1 &#956;L of compound or DMSO was added to the corresponding wells, shocked for 30 seconds, and incubated for 30 mins at room temperature;(5) The plates were placed in a FlexStation3 microplate reader, and then added with stimulation buffer (K2SO4: Tl2SO4: 1×FluxOR Chloride-free Buffer: ddH2O=2:1:2:5) at 25 &#956;L/well, then the value was read continuously for 5 mins at EX/EM of 490/525 nm immediately; and(6) The IC50 of the present compounds on human hERG ion channel was obtained by data processing software Graphpad. 
8624	1	Inhibitory Activity In Vitro Assay 	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
8624	2	Inhibitory Activity In Vitro Assay	KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
8625	1	Fluorogenic Assay	h-NAAA: The assay was run in 96-well microplates (Black OptiPlate-96 F; PerkinElmer, Massachusetts, USA), in a total reaction volume of 200 &#956;L. h-NAAA protein preparation (4.0 &#956;g) was pre-incubated for 30 min with various concentrations of test compounds or vehicle control (DMSO 5%) in 100 mM citrate/phosphate buffer (pH 4.5) containing 3.0 mM DTT, 0.1% NP40 0.1%, 0.05% BSA, 150 mM NaCl. N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide (PAMCA) was used as a substrate (2.0 &#956;M) and the reaction carried for 50 min at 37° C. Fluorescence was measured with EnVision 2014 Multilabel Reader (PerkinElmer, Massachusetts, USA) using an excitation wavelength of 355 nm and emission 460 nm. IC50 values were calculated by non-linear regression analysis of log [concentration]/inhibition curves using GraphPad Prism 5 (GraphPad Software Inc., CA, USA) applying a standard slope curve fitting.
8625	2	Fluorogenic Assay	h-AC:The assay was run in 96-well microplates (Black OptiPlate-96 F; PerkinElmer, Massachusetts, USA) in a total reaction volume of 100 &#956;L. h-AC protein preparation (2.0 &#956;g) was pre-incubated for 10 min with various concentrations of test compounds or vehicle control (DMSO 5%) in 25 mM sodium acetate buffer (pH 4.5). N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)oxybutyl]dodecanamide was used as substrate (5.0 &#956;M) and the reaction carried for 3 h at 37° C., stopped with MeOH, and treated with NaIO4 (fresh solution in 100 mM glycine/NaOH buffer pH 10.6) followed by 2 h incubation at 37° C. in the dark. Fluorescence was measured with EnVision 2014 Multilabel Reader (PerkinElmer, Massachusetts, USA) using an excitation wavelength of 355 nm and emission 460 nm. IC50 values were calculated by non-linear regression analysis of log [concentration]/inhibition curves using GraphPad Prism 5 (GraphPad Software Inc., CA, USA) applying a standard slope curve fitting.
8625	3	Fluorogenic Assay	h-FAAH: The fluorescent assay to measure FAAH activity was performed in 96 wells black plates: 2.5 &#956;g of human FAAH-1 membrane preparation were pre-incubated for 50 min at 37° C., in 190 &#956;L of assay buffer (50 mM TrisHCl pH 7.4, 0.05% Fatty acid-free BSA) with 5 &#956;L of inhibitor or 5 &#956;L DMSO to measure FAAH total activity. The background (no activity) samples were prepared using 190 &#956;L of assay buffer without human FAAH-1 and 5 &#956;L of DMSO. The reaction was then started by the addition of 5 &#956;L of substrate (AMC arachidonoyl amide, Sigma) dissolved in DMSO and used at a final concentration of 800 nM. The reaction was carried out for 45 minutes at 37° C. and fluorescence was measured with EnVision 2014 Multilabel Reader (PerkinElmer, Massachusetts, USA) (excitation wavelength 355 nm/emission wavelength 460 nm). The concentration causing half-maximal inhibition (IC50) was determined by nonlinear regression analysis of the Log [concentration]/response curves generated with mean replicate values using a four-parameter Hill equation curve fitting with GraphPad Prism 5 (GraphPad Software Inc., CA, USA).
8626	1	Enzymatic Assay	Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by serial dilution steps in 100% DMSO. Dilution factor and number of dilution steps may vary according to needs. Typically 8 different concentrations by 1:5 dilutions are prepared, a further intermediate dilutions of the substances is carried out with assay buffer resulting in 1% final DMSO concentration in the assay. 0.15 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 15 minutes in assay buffer (1 mM DTT, 0.0025% Brij-35, 50 mM HEPES, pH7.5). 3 &#956;M D-Pantethine (Sigma, Cat#P2125-5G) in assay buffer is added and incubated for additional 30 minutes at room temperature. Reaction is stopped by adding equal volume of stop solution as the reaction mixture to reach 5 nM Nevirapine (as an internal standard) and 0.5% TFA. Assay plates are centrifuged for 2 minutes and the formation of pantothenic acid is detected by RapidFire Mass Spectrometry (mobile phase A: 0.1% formic acid in water, mobile phase B: 100% methanol) using graphitic carbon cartridge (Agilent Cat #G9206A).
8627	1	SPR Binding Measurements	All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25° C. Biotinylated ASGPR was immobilized typically at 2000-3000 resonance units (Ru) using either SA sensor chips (GE Healthcare) or custom sensor chips with Neutravidin (Pierce Biochemical) immobilized by standard amine coupling to CM5 sensor chips (GE Healthcare). The running buffer was HBS (10 mM HEPES, 150 mM NaCl), 20 mM CaCl2, 0.01% p20, 3% DMSO or 50 mM tris, 150 mM NaCl, 50 mM CaCl2), 0.01% p20, 3% DMSO pH 7.5. Compounds were diluted into running buffer at a concentration of 900 uM and serially diluted 3 fold to 3.7 uM. Compound solutions were injected at 50 ul/min for 1 min followed by a 1 min dissociation in duplicate for each concentration. For the multimeric conjugates (dimers, trimers), the conjugates were diluted in running buffer to concentrations of 100 nM or 10 nM and serially diluted. Conjugates were injected for 2 min and off rates were detected for 300 or 600 sec. After completion of off phase data the compounds were displaced using an injection of 900 uM GalNAc returning the receptor surface to the free state. All data was processed using Scrubber2 (Biologic Software, Inc.) to zero, align, reference and correct for excluded volume effects. KDs were determined by fitting the steady state binding responses for the compounds and single conjugated molecules in Scrubber2. KD for multimeric conjugates showing kinetic responses were processed in Scrubber2 and fit in BiaEval (GE Healthcare) to extract the on and off rate parameters in order to calculate KD. Values reflect standard deviations from multiple experiments.
8628	1	In Vitro FXR Assay (TK)	SeedingCV-1 cells were seeded at a density of 2,000,000 cells in a T175 flask with DMEM+10% charcoal double-stripped FBS and incubated at 37° C. in 5% CO2 for 18 h (O/N).TransfectionAfter 18 h of incubation, the medium in the T175 flask was changed with fresh DMEM+10% charcoal super-stripped serum. In a polypropylene tube, 2500 &#956;L OptiMEM (Life Technologies, Cat #31985-062) was combined with expression plasmids for hFXR, hRXR, TK-ECRE-luc and pCMX-YFP. The tube was then briefly vortexed and incubated at room temperature for 5 minutes. Transfection reagent (X-tremeGENE HP from Roche, Cat #06 366 236 001) was added to the OptiMEM/plasmid mixture vortexed and incubated at room temperature for 20 minutes. Following incubation, the transfection reagent/DNA mixture complex was added to cells in the T175 flask and the cells were incubated at 37° C. in 5% CO2 for 18 h (O/N).Test CompoundsCompounds were serially diluted in DMSO and added to transfected CV-1 cells. The cells were then incubated for 18 hrs. The next day cells were lysed and examined for luminescence.
8629	1	In vitro evaluation of inhibitory activity against WT-TTR	In vitro evaluation of inhibitory activity against WT-TTR amyloid fibril formation of AT09 and reference compounds. Reference compounds (thyroxine, tafamidis and 2OH PCB80) are represented by dash bars and AT09 compounds by solid-gray bars. All compounds were analyzed at 2×, 1× and 0.5× the molar concentration of wild-type TTR (3.6 &#956;M). Upon assay completion at 72 hours incubation at 37° C., the percentage of amyloid fibril formation was normalized against the positive control (black bar) corresponding to 100% of amyloid formation in the absence of test compounds.
8630	1	enzyme-linked immunosorbent assay	Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK activation are well known and kits for AMPK activation assays are commercially available.
8631	1	FRET-displacement assay	FRET assays to determine Ki for the compounds of Table I were carried out as described previously (Lee et al. Analytical Biochemistry 434 (2013) 259-268). In order to prevent leaching of fluorescence impurities from the plastic tube and non-specific binding to sEH inhibitors, the inhibitor stock solution (10 mM, DMSO) was stored in glass vials. In addition, sEH was diluted to desired concentration (20 nM) with sodium phosphate buffer (PB) (100 mM sodium phosphate, pH 7.4, 0.01% gelatin) to avoid loss of protein from non-specific binding to the cuvette surface. All buffer used in this assay was filtered by sterilized filtration unit (Millipore Durapore PVDF Membrane, pore size: 0.22 um).Measurement in 96-Well PlatesAll the measurement for FRET-based displacement assay in 96-well plate format were done in TECAN Infinite M1000 Pro 96 well fluorescence plate reader.Pre-Treatment of 96-Well PlateIn order to prevent non-specific binding of sEH or inhibitor on the 96-well plate, the 96 well plates were pre-incubated with PB with 0.1% gelatin overnight at rt. The gelatin coats the plate and prevents non-specific binding of sEH and sEH inhibitors to the plate. The buffer was discarded and the plate was dried before use.Assay ProcedureThe sEH stock was diluted to the desired concentration (20 nM) by PB (100 mM sodium phosphate, 0.1% gelatin, pH 7.4). ACPU (one equivalent to sEH, 10 mM, Ethanol) was added to the sEH solution and was incubated for 2 h at rt. The sEH-ACPU mixture (20 nM, 100 mM sodium phosphate, 0.1% gelatin, pH 7.4, 150 uL) was added to each well.The baseline fluorescence (F0) (&#955;excitation at 280 nm, &#955;emission at 450 nm) of the samples was measured after the z-position and gain were optimized automatically by the fluorometers. The z and gain value was noted and will be used for the later fluorescent measurement. Because DMSO has been known to quench fluorescence. 1% DMSO in PB was served as a control (FDMSO). The desired concentration of inhibitors which is the concentration that 100% of sEH was bound to inhibitor, was added at the first well and was further diluted by 2-fold across the rest of the wells. Based on our study, 12 datum points which correspond to 12 different concentrations of the inhibitor, provide significant data to calculate the accurate Ki for the inhibitors. The samples were incubated at 30° C. for 1.5 h. Then, the fluorescence (&#955;excitation at 280 nm, &#955;emission at 450 nm) of the samples was measured using the z-position and gain values that previously obtained.
8632	1	Determination of Adenosine Transport Activity	To measure adenosine transport activity of ENT-1 mammalian cells, stable cells expressing the mouse ENT-1 transporter were plated on day 1 in 96-well culture plates at the density of 60,000 cells/well, in complete DMEM/F12 medium supplemented with glutamax, 10% FBS and 10 &#956;g/ml puromycin. On day 2, the medium was aspirated and the cells were washed twice with uptake buffer (10 mM Hepes-Tris, pH 7.4 containing 150 mM NaCl, 1 mMCaCl2, 2.5 mM KCl, 2.5 mM MgSO4, 10 mM D-glucose) (UB). For inhibition experiments, cells were then incubated at RT with various concentrations of compounds with 1% DMSO final. Non-specific uptake was defined in the presence of 10 &#956;M S-(4-Nitrobenzyl)-6-thioinosine (NBTI, Sigma Cat #N2255).A solution containing [2,8-3H]-adenosine 6 nM (40 Ci/mmol, American Radiolabeled chemicals Inc, Cat #ART 0287A) was then immediately added to the wells. The plates were then incubated for 20 min with gentle shaking and the reaction was stopped by aspiration of the mixture and washing (three times) with ice-cold UB. The cells were lysed by the addition of scintillation liquid, shaken 3 hours and the radioactivity in the cells was estimated using a microplates scintillation counter (TopCount NXT, Packard).
8633	1	Inhibition of Specific Binding to the Rat NR1/NR2B Receptor	The assay depends on the binding of a tracer to the GluN2B subunit-containing NMDA receptors and the ability of the test compounds to displace such binding. 3-[3H] 1-(azetidin-1-yl)-2-[6-(4-fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyridin-1-yl]ethanone is a high-affinity GluN2B-selective antagonist, which binds to the Ifenprodil binding site located at the interphase between GluN1 and GluN2B subunits. Alternatively, The assay measures binding affinity for ligands that compete for the Ifenprodil binding site in the native NMDA receptors from adult rat cortical membranes.In brief, rat adult cortex is homogenized in the assay buffer (50 mM Tris; pH 7.4). The resulting cortical membranes containing native NMDA receptors are purified by centrifugation and extensively washed, then re-suspended in the assay buffer. The test compounds, tracer and membranes are mixed together and incubated with shaking for 2 hours at room temperature to reach binding equilibrium. Non-specific binding of the tracer is determined by pre-incubation of brain membranes with 10 &#956;M of CP 101,606. Following the incubation, the bound and unbound tracer is separated by filtration with cell harvester and GF/B filter plates (PerkinElmer) soaked with polyethylenimine.The extent of binding is measured by counting [3H] radioactivity retained on the filters plates with liquid scintillator counter. Binding affinity (equilibrium dissociation constant Ki) for the test compounds is determined by fitting experimental data with the following model log EC50=log(10^ log Ki*(1+[Radioligand]/HotKd)) and Y=Bottom+(Top-Bottom)/(1+10^(X-Log EC50)) where [Radioligand] is the concentration of the tracer, HotKdNM is the equilibrium dissociation constant of the tracer, Top and Bottom are the curve plateaus in the units of Y axis.HNR2BC: Effects of Test Articles on Cloned Human NR1/NR2B Ion Channels Expressed in Mammalian CellsNMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calcium flux assay. In this assay, co-agonists glutamate and glycine are added to cells heterologously expressing human GluN1/GluN2B NMDA receptors to initiate cellular Ca2+ influx. The time course of the changes in intracellular calcium is measured using a fluorescent dye and a FLIPR (Fluorometric Imaging Plate Reader) device.Twenty four hours before measurements, the expression of the NMDA receptors in the stable cell line is induced with Tet-On inducible system in the presence of a non-selective NMDA receptor blocker. On the day of the experiment, cell culture media is carefully washed and the cells are loaded with Calcium 5 Dye Kit (Molecular Devices) in dye loading buffer containing 137 mM NaCl, 4 mM KCl, 2 mM CaCl2, 0.5 mM MgCl2, 10 mM HEPES and 5 mM D-glucose; pH 7.4. After 1 h incubation at the room temperature, the dye is washed away with the assay buffer (137 mM NaCl, 4 mM KCl, 2 mM CaCl2, 0.01 mM EDTA, 10 mM HEPES and 5 mM D-glucose; pH 7.4) In the FLIPR TETRA reader, various concentrations of the test compounds are added to the cells for 5 min while fluorescence is monitored to detect potential agonist activity. Next, co-agonists, glutamate and glycine are added for another 5 minutes. The concentration of glutamate corresponding to EC80 is used to maximize the assay&#39;s signal window and ability to detect NMDA receptor antagonists and negative allosteric modulators. A saturating concentration (10 &#956;M) of glycine is also present in the assay. A non-selective NMDA receptor antagonist, (+)MK-801 is used as a positive control for antagonist activity. The fluorescent signal in the presence of test compounds is quantified and normalized to the signal defined by the appropriate control wells.
8634	1	Enzymatic Assay	JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&#8242;-LYTE Kinase Assay Kit-Tyr 3 Peptide (Invitrogen, Cat. No. PV3192). Recombinant human JAK1/2/3 or TYK2 catalytic domains are from Invitrogen (Cat No. PV4774/PV4210/PV3855/PV4790); All reactions (20 &#956;L) are started by adding 2.5 &#956;L of the testing compound in 4% DMSO solution, 5 &#956;L of Kinase/Peptide substrate Mixture (3.2, 0.04, 0.2 or 8 &#956;g/mL for Recombinant human JAK1/2/3 catalytic domains, 4 &#956;M for Z-LYTE Tyr 6 peptide or Z-LYTE Tyr 3 peptide) or Phospho-Peptide solution (Invitrogen, Cat. No. PV3192, diluted with 1.33× Kinase Buffer), 2.5 &#956;L ATP Solution (300/100/40/100 &#956;M, JAK1/JAK2/JAK3/TYK2) or 1.33× Kinase Buffer (Invitrogen, Cat. No. PV3189, 5× diluted with distilled water). The 384-well assay plate (Corning, Cat. No. 3575) is mixed and incubated at room temperature for 1 hour. 5 &#956;L of the Development Solution (Dilute Development Reagent A (Cat. No. PV3297) is diluted to 1/64 with Development Buffer (Cat. No. PV3127) for JAK1, JAK2 and JAK3 assay; Development Reagent A (Cat. No. PV3297) is diluted to 1/2048 with Development Buffer (Cat. No. PV3127) for TYK2 assay. The diluted Development Solution is then added to each well, mixed and incubated at room temperature for another 1 hour. The kinase reaction is then stopped by adding 5 &#956;L of the Stop Reagent (Invitrogen, Cat. No. PV3094), and the plate is read with Wallac 1420 VICTOR3 Multilabel Counter (PerkinElmer ) at 445 nm and 520 nm fluorescence. All compounds are initially tested at 8 different concentrations (1 &#956;M down to 0.0003 &#956;M) using a 1:3 serial dilution scheme.
8635	1	Enzyme Kinetic Assay	To determine the inhibition selectivity for inhibitor candidates, human TNAP, PLAP or IAP were added to microtiter plates followed by addition of the substrate pNPP (0.5 mM) and activity was measured in 1 M DEA-HCl buffer, pH 9.8 or in 1 M Tris-HCl buffer, pH 7.5, containing 1 mM MgCl2 and 20 &#956;M ZnCl2, in the presence of potential inhibitors (0-30 &#956;M). TNAP, PLAP and IAP activities were adjusted to an approximate &#955;A405 nm, equivalent to 1, measured after 30 min. Residual AP activity in the presence of inhibitors was expressed as percentage of the control activity. To investigate the mechanism of inhibition, double reciprocal plots of enzyme activity (expressed as mA405 nm min&#8722;1) vs. substrate concentration were constructed, in the presence of various concentrations of added inhibitors (0-30 &#956;M). The y-axis intercepts of the 1/v vs. 1/[S] plots, were then plotted vs. [I] to graphically extract Ki values as the x-intercept in this plot. The numerical values from y- and x-intercepts were derived via linear regression analysis, using software Prism 3.02 (GraphPad Software, CA). These analyses were performed, using pNPP as a substrate in 1 M DEA-HCl buffer, pH 9.8, as well as in 1 M Tris-HCl buffer, pH 7.5, to determine Ki at optimal and physiological pH respectively. Inhibitors were further tested and sorted based on their kinetic properties at pH 7.4 using PPi, the relevant natural substrate of TNAP. In this part of the study, pyrophosphate sodium salt (99% ACS reagent, Sigma-Aldrich, St Louis, Mo.) was used as a substrate. Amounts of released phosphate were measured using the Biomol Green Reagent (Biomol Research Laboratories, Inc., Plymouth Meeting, Pa.). Finally, to document the potency of selected inhibitors in physiological media, TNAP inhibition by compounds of Formula I-IV (0-30 &#956;M) was studied at pH 7.4, during catalysis of 0.1 mM pNPP, in the presence of increasing concentrations of Na2HPO4 (0-10 mM) and pyrophosphate (0-40 mM).
8636	1	IMAP FP Assay	The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE9 inhibitor. 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. Rhesus membrane preps were diluted to 4 ng/ml, rat membrane preps diluted to 13 ng/ml, and human PDE9A2 diluted to 1 ng/ml. FAM-labeled cGMP substrate (Molecular Devices, Sunnyvale, Calif.) was at a concentration of 100 nM (Km of PDE9 for cGMP is 70-170 nM) in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). 
8637	1	Inhibitory Activity Assay 	Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product # R8139).  Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE9 inhibitor. 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 (Labcyte, Sunnyvale, Calif.) is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. Rhesus membrane preps were diluted to 4 ng/ml, rat membrane preps diluted to 13 ng/ml, and human PDE9A2 diluted to 1 ng/ml. FAM-labeled cGMP substrate (Molecular Devices, Sunnyvale, Calif.) was at a concentration of 100 nM (Km of PDE9 for cGMP is 70-170 nM) in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). PDE9 enzyme mix and compounds were mixed and incubated at room temperature for 30 min. Following which, FAMcGMP substrate was added, shaken and incubated for an additional 60 min at room temperature. The final concentrations of rhesus and rat membrane preparations were 2 ng/ml and 6.5 ng/ml, respectively, while the human PDE9 was used at a final concentration of 0.5 ng/ml. The final concentration of FAM-cGMP was 50 nM. After the incubation period, the enzymatic reaction was stopped by addition of binding solution (IMAP-FP, Molecular Devices, comprised of 80% Solution A, 20% Solution B and a 1:600 dilution of binding reagent) to each well. The plates were shaken then incubated at room temperature for 1 h prior to determining the fluorescence polarization (mP) using a Perkin Elmer EnVision plate reader (Waltham, Mass.).
8638	1	Pharmacological Assay	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are designed for studying the stimulation of human TLR8 or TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Therefore the reporter expression is regulated by the NF-&#954;B promoter upon stimulation of human TLR8 or TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple/blue in the presence of alkaline phosphatase.
8639	1	Biological Assay	Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
8640	1	Enzymatic Assay	The assay is done using an ADP-Glo Kinase Assay Kit (Promega, Catalog #V9102) according to the manufacturer&#39;s protocol with the following modifications. Briefly, hASK1 (0.25 nM) and MKK6 (300 nM) in a buffer (10 mM MOPS pH 7.0; 10 mM Mg-Acetate; 1 mM DTT; 0.025% NP-40; 0.05% BSA; 1.5% glycerol) are incubated with ASK1 inhibitors at varying concentrations ranging from 10.00 &#956;M to 0.17 nM for 15 minutes, followed by incubation with ATP (100 &#956;M) for 30 minutes at room temperature. ADP-Glo Reagent is added to terminate the kinase reaction and deplete the remaining ATP. The Kinase Detection Reagent is then added to convert ADP to ATP. The newly synthesized ATP is measured using a luciferase/luciferin reaction, and the luminescence determined by Envision (PerkinElmer). 
8641	1	Lantha Screen Eu Kinase Activity Assay	The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). Kinase reactions are performed in a 10 uL volume in low-volume 384-well plates. The kinases in reaction buffer consist of 50 mM HEPES pH 7.5, 0.01% BRU-35, 10 mM MgCl2, and 1 mM EGTA, the concentration of Fluorescein-Poly GAT substrate (Invitrogen, USA) in the assay is 100 nM. Kinase reactions were initiated with the addition of 100 nM ATP in the presence of serials of dilutions of compounds. The reactions were allowed to proceed for 1 h at room temperature before a 10 uL preparation of EDTA (20 mM) and Eu-labeled antibody (4 nM) in TR-FRET dilution buffer are added. The final concentration of antibody in the assay well is 2 nM, and the final concentration of EDTA is 10 mM. The plate is allowed to incubate at room temperature for one more hour before the TR-FRET emission ratios of 665 nm/340 nm were acquired on a PerkinElmer EnVision multilabel reader (Perkin-Elmer, Inc.). Data analysis and curve fitting were performed using GraphPad Prism4 software, resulting in the half maximal inhibitory concentration (IC50) shown in table 1. The functional assays of compounds on the kinase activities of c-kit and Abl were determined using the FRET-based Z'-Lyte assay system according to the manufacturer's instructions (Invitrogen, USA). Tyrosine 2 peptide was used as Abl substrate, and Ser/Thr 6 peptide was used as the substrate for c-kit. The reactions were carried out in 384-well plates in a 10 uL of reaction volume with appropriate amount of kinases in 50 mM HEPES (pH 7.5), 10 Mm MgCl2, 1 mM EGTA, and 0.01% Brij-35. The reactions were incubated 1 h at room temperature in the presence of 2 uM of substrate with 10 uM of ATP (for Abl1 assays) or 300 uM of ATP (kit assay) and in the presence of various concentrations of the compounds.
8642	1	cAMP Assay	The ability of compounds to antagonize the human BLT1 receptor was determined using a kit to measure changes in intracellular cyclic AMP levels (cAMP dynamic assay kit, Cisbio Cat. No. 62AM4PEC). HEK293 cells recombinantly expressing human BLT1 receptor, previously frozen in Recovery Medium (Life Technologies, Cat. No. 12648-010) were thawed and diluted into assay medium (HBSS (Hyclone SH 30268.01), 20 mM HEPES (Gibco 15630-106), 800 &#956;M IBMX (Sigma 15879), 0.1% DTPA BSA (Perkin Elmer CR84-100)). The cell suspension was centrifuged at 200×g for 10 min and then resuspended in fresh assay medium to a density of 2.5×105 cells/mL. A Labcyte Echo 550 acoustic dispenser was used to transfer 25 nL of test compound dissolved in DMSO into the wells of a dry 384-well plate (Greiner 784075). All subsequent liquid additions were performed using a BIORAPTR (FRD; Beckman Coulter). Next, 5 &#956;L of cell suspension was added and incubated for 20 min. at 37° C. and 5% CO2 in a humidified plastic tray. To test for agonist activity 5 &#956;L of assay buffer containing forskolin (Sigma F-6886. 4 &#956;M for BLT1) was added and incubated for 30 minutes at 37° C. and 5% CO2 in a humidified plastic tray. To test for antagonist activity 5 &#956;L of assay buffer containing forskolin (Sigma F-6886. 4 &#956;M for BLT1) and either LTB4 (Sigma Aldrich L0517; 2 nM BLT1) was added and incubated for 30 minutes at 37° C. and 5% CO2 in a humidified plastic tray.
8643	2	Competition Binding Assay	h-5HT3: In brief, Chinese Hamster Ovary (CHO) cells stably expressing human 5-HT3 serotonin receptors, grown to confluence in 175 cm2 flasks. Following aspiration of the culture medium, cells were harvested by mechanical agitation in ice cold PBS containing (in mM): (150 NaCl, 8 K2HPO4, 2 KH2PO4, pH 7.4, 37° C.), centrifuged at 4,000 g for 10 min and subsequently stored as a cell pellet at &#8722;80 C. When required, the pellet was thawed and resuspended in ice cold homogenization buffer (Tris 50 mM, EGTA 5.0 mM, phenylmethylsulphonylfluoride 0.1 mM, pH 7.6) and homogenized. The homogenate was centrifuged at 48,000 g for 10 minutes at 40° C. The resulting pellet was resuspended in ice cold binding buffer comprising (in mM): NaCl 140, KCl 2.8, CaCl2 1.0; MgCl2, 2.0; HEPES 10 (pH 7.4) and centrifuged as above.
8643	1	Binding Assay	&#945;7 nAChR: The ability of compounds to displace binding of radioactive ligands from human &#945;7 nAChR was determined, as a measure of the affinity of the compounds for these ligand-gated ion channels. The [125I]-&#945;Bungarotoxin competition binding assay was performed under contract by Cerep Poitiers, France. SH-SY5Y cells stably expressing human &#945;7 nicotinic acetylcholine receptors, grown to confluency in 175 cm2 flasks, were washed briefly with warm PBS containing (in mm): (150 NaCl, 8 K2HPO4, 2 KH2PO4, pH 7.4, 37° C.) and scraped into cold phosphate buffer. Cells were washed by centrifugation for 3 min at 500×g and resuspended in 10 mL of ice-cold phosphate buffer. The suspension was homogenized for 10 sec using an Ultraturax and centrifuged for 30 min at 45,000×g. The pellet was resuspended in phosphate buffer (0.5 mL per original flask). SH-SY5Y membranes (30 &#956;g protein) were incubated in a total volume of 2 mL in 50 mM phosphate buffer with 0.05 nM [125I]-&#945;Bgt and serial dilutions of test compound. Nonspecific binding was determined in the presence of &#945;-bungarotoxin (1 &#956;M). Samples were incubated for 120 min at 37° C. 
8644	1	Caliper mobility shift assay	All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(866-1154), GST-JAK3(811-1124), and GST-TYK2(888-1187) were expressed and purified by affinity chromatography at the EPK biology unit.The kinase assays were based on the Caliper mobility shift assay using the LabChip 3000 systems. This technology is similar to capillary electrophoresis and uses charge driven separation of substrate and product in a microfluidic chip.All kinase reactions were performed in 384 well microtiter plates in a total reaction volume of18 &#956;I. The assay plates were prepared with 0.1 &#956;l per well of test compound in the appropriate test concentration, as described under the section &#39;preparation of compound dilutions&#39;. The reactions were started by combining 9 &#956;l of substrate mix (consisting of peptide and ATP) with 9 &#956;l of kinase dilution. The reactions were incubated for 60 minutes at 30° C. and stopped by adding 70 &#956;l of stop buffer (100 mM Hepes, 5% DMSO, 0.1% Coating reagent, 10 mM EDTA, 0.015% Brij 35).
8645	1	Enzyme Assay	In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1-2 &#956;M CSKtide (Tuft&#39;s University or Anaspec; FITC-AHA-KKKKD DIYFFFG-NH2) and 1 mM ATP at 25° C. for 60 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
8646	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). The Example compounds were each tested in the Example A assay (see Table 1 for data for the compounds of the examples as tested by the assay of Example A at 1 mM ATP).
8647	1	Receptor Binding Assay 	 120 &#956;L membrane (5 mg protein/well) was incubated with 15 &#956;L of [125I]-CGP42112A and 15 &#956;L of compound at RT for 1.5 hrs. The binding reaction was stopped by rapid filtration through Unifilter GF/C plates (presoaked in 0.3% (v:v) BSA). Plate was washed three times with ice cold wash buffer. The filtration plates were dried at 37° C. overnight. 50 &#956;L of scintillation cocktail was added to each well. Radioactivity was determined using MicroBetaTriluxmicroplate scintillation counter.
8648	1	Measurement of Antagonistic Activity Against Orexin Receptors	The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene and either the human OX1R or human OX2R gene. Those cells were plated at 10,000 cells/well in 96-well multiplates with DMEM (manufactured by Sigma-Aldrich Co. LLC) supplemented with 5% FBS (manufactured by Thermo Scientific Inc.) and incubated at 37° C. and 5% CO2 for 48 hours. After removal of the medium, 100 &#956;L of an assay buffer (20 mM HEPES (manufactured by Sigma-Aldrich Co. LLC), Hank&#39;s balanced salt solution (manufactured by Gibco), 0.1% BSA (manufactured by Sigma-Aldrich Co. LLC), 2.5 mM probenecid acid (manufactured by Wako Pure Chemical Industries, Ltd.), pH 7.4) containing 5 &#956;M Fura-2AM (manufactured by Cayman Chemical Co.) was added to each well, and incubated at 37° C. and 5% CO2 for 60 minutes. After removal of the buffer containing Fura-2AM, 75 &#956;L of the assay buffer was added to each well. Then, 25 L of the assay buffer containing a test compound at various concentrations and OX-A (manufactured by Peptide Institute, Inc.) was added to start the reaction. The change in intracellular calcium ion concentration induced by the reaction was evaluated by the ratio of fluorescent intensities, which were measured at a wavelength of 510 nm based on the two wavelength excitation approach using FDSS 7000 (manufactured by Hamamatsu Photonics K.K.) with fluorescence excitation at 340 nm and 380 nm. A concentration-response curve on the antagonistic activity was plotted from the values of maximal fluorescent intensity ratio determined when various concentrations of a test compound were added in the presence of 300 &#956;M of OX-A, where a value of maximal fluorescent intensity ratio determined by adding 300 pM of OX-A alone corresponds to 100% and a value of maximal fluorescent intensity ratio determined by adding the assay buffer alone corresponds to 0%. Based on the resulting non-linear regression curve, the 50% maximal inhibitory concentration (IC50) was calculated. Each test compound was dissolved in DMSO to a concentration of 10 mM (the final concentration of DMSO was 1%), and then diluted with the assay buffer to give a final concentration of 3.0×10&#8722;10 M to 1.0×10&#8722;5 M (a common ratio of 3), while OX-A was diluted to a final concentration of 300 pM. The experiment was performed in quadruplicate plates, and the results of the four independent measurements were averaged to give the value of each reaction, and then the IC50 of a sample was calculated. If the sample number was 2 or more, the averaged IC50 was used.
8649	1	RORgamma-Ligand Binding Domain TR-FRET Assay Protocol I	Recombinant, HIS-tagged ROR&#947;-LBD was expressed in SF9 cells using a baculovirus expression system. Cells were lysed and the lysate was used as a source for ROR&#947;-LBD for the assay. A 1:80 dilution of ROR&#947;-LBD lysate in assay buffer (25 mM HEPES pH 7.0, 100 mM NaCl, 0.01% Tween, 0.1% BSA) was prepared and 5 &#956;L was added to each well (ROR&#947;-LBD final concentration 3 nM). Control wells received lysate from SF9 cells not expressing ROR&#947;-LBD.Compounds to be tested were diluted to 100× final test concentration in DMSO and further diluted to 4× final test concentration using assay buffer to provide the test compound mixture. An aliquot (5 &#956;L) of the test compound mixture was added to each well.A 4× stock of biotinylated-LXXLL peptide from SRC1-2 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) was prepared in assay buffer and a 5 &#956;L aliquot added to each well (450 nM final concentration). A 4× solution of europium tagged anti-HIS antibody (2 nM final concentration) and APC conjugated streptavidin (60 nM final concentration) were prepared and a 5 &#956;L aliquot added to each well.The final assay mixture was incubated for 4 hours to overnight, and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s).EC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm using GraphPad Prism software.
8649	2	RORgamma-Ligand Binding Domain TR-FRET Assay Protocol II	HIS-tagged ROR&#947;-LBD protein was expressed in SF9 cells using a baculovirus expression system. The ROR&#947;-LBD protein was purified by glutathione sepharose chromatography. Separately, SF9 cells not expressing recombinant protein were lysed in TBS buffer (25 mM Tris, pH 8.0, 150 mM NaCl) under sonication. The lysate was added to the purified ROR&#947;-LBD in a volume equivalent of 0.75 &#956;L lysate (from 30,000 SF9 cells) per 75 femtomol of ROR&#947;-LBD protein. The resulting mixture was diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 0.01% BSA) to obtain ROR&#947;-LBD protein at a final concentration of 3 nM.Compounds to be tested were injected to the assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-CPSSHSSLTERHKILHRLLQEGSPS) was prepared in assay buffer and added to each well (100 nM final concentration). A solution of Europium tagged anti-HIS antibody (1.25 nM final concentration) and APC-conjugated streptavidin (8 nM final concentration) were also added to each well.The final assay mixture was incubated overnight at 4° C., and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). The EC50 value for test compounds was calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
8650	1	Biological Assays	The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided herein was obtained using the following procedures.In Vitro Raf Activity Determination: The RAF enzymes and the catalytically inactive MEK1 protein substrate were all made in-house using conventional methods. CRAF cDNA was subcloned as full length protein, with Y340E and Y341E activating mutations, into a baculovirus expression vector for Sf9 insect cell expression. h14-3-3 zeta cDNA was subcloned into a baculovirus expression vector for SF9 insect cell expression. Sf9 cells co-expressing both proteins were lysed and subjected to immobilized nickel chromatography and eluted with Imidazole. A second column (StrepII binding column) was used and eluted with desthiobiotin. Protein Tags were removed using Prescission enzyme and the protein was further purified using a flowthrough step to remove tags.C-Raf TR refers to a truncated C-Raf protein, a &#916;1-324 deletion mutant. C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an inactivating K97R ATP binding site mutation is utilized as a RAF substrate. The MEK1 cDNA was subcloned with an N-terminal (his)6 tag into a vector for E. Coli expression. The MEK1 substrate was purified from E. Coli lysate by nickel affinity chromatography followed by anion exchange. The final MEK1 preparation was biotinylated (Pierce EZ-Link Sulfo-NHS-LC-Biotin) and concentrated.Assay Materials: Assay buffer is 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA) and 1 mM dithiothreitol (DTT); Stop buffer is 60 mM ethylenediaminetetraacetic acid (EDTA) and 0.01% Tween 20; b-Raf (V600E), active; biotinylated Mek, kinase dead; Alpha Screen detection kit (available from PerkinElmer , #6760617R); Anti phospho-MEK1/2 (available from Cell Signaling Technology, Inc. #9121); 384 well low volume assay plates (White Greiner plates).Assay conditions: b-Raf (V600E) approximately 4 pM; c-Raf approximately 4 nM; biotinylated Mek, kinase dead approximately 10 nM; ATP 10 &#956;M for BRAF (V600E) and 1 &#956;M for CRAF; Pre-incubation time with compounds 60 minutes at room temperature; Reaction time 1 or 3 hours at room temperature.Assay protocol: Raf and biotinylated Mek (kinase dead) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 5 ml per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.25 ml of 40× of a Raf kinase inhibitor test compound diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature. The Raf kinase activity reaction was started by the addition of 5 mL per well of 2×ATP diluted in assay buffer. After 3 hours (b-Raf(V600E)) or 1 hour (c-Raf). The reactions were stopped and the phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 10 mL to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:2000 dilution of both beads) in Stop/bead buffer (25 mM EDTA, 50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and incubated for 1 hour at room temperature, after which the luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
8651	1	in vitro peptide-based kinase assay	The inhibition of LRRK2 kinase was assessed using LRRK2 recombinant protein in an in vitro peptide-based kinase assay.ProtocolA radiometric protein kinase assay (33PanQinase Activity Assay) is used for measuring the kinase activity. All assays are performed in 96-well FlashPlates from Perkin Elmer in a 50 &#956;l reaction volume. The reaction cocktail is pipetted in 4 steps in the following order: 10 &#956;l of non-radioactive ATP solution (in H2O) 25 &#956;l of assay buffer/[&#947;-33P]-ATP mixture 5 &#956;l of test sample in 10% DMSO 10 &#956;l of enzyme/substrate mixtureThe assay for LRRK2 contains 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &#956;M Na-orthovanadate, 1.2 mM DTT, 50 &#956;g/ml PEG20000, ATP (0.3 &#956;M), [&#947;-33P]-ATP (approx. 4×1005 cpm per well), protein kinase LRRK2 (7.3 nM) and substrate (GSK3(14-27), 1.0 &#956;g/50 &#956;l).The kinase is obtained from Invitrogen Corporation.The reaction cocktails were incubated at 30° C. for 60 minutes. The reaction was stopped with 50 &#956;l of 2% (v/v) H3PO4, plates were aspirated and washed two times with 200 &#956;l 0.9% (w/v) NaCl. Incorporation of 33Pi (counting of cpm ) was determined with a microplate scintillation counter.CompoundsThe compounds are dissolved to 10 mM in DMSO. Where needed, solutions are sonicated in a bath sonicator.
8652	1	Inhibition Assay	The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a probe such as dansyl, fluoracein, luciferase, green fluorescent protein or other reagent. The enzyme can be assayed by its hydration of EETs, its hydrolysis of an epoxide to give a colored product. The assays are normally carried out with a recombinant enzyme following affinity purification. 
8653	1	FRET Assay	The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to assay plates using an Labcyte Echo acoustic dispenser. Two pre-mixes were prepared and incubated for 1 hr at room temp in the dark. Pre-mix 1 comprised 100 nM Protein (Biotinylated HN-Avi-MBP-TCS-hRORg (258-518)) and 60 nM Streptavidin APC in assay buffer, 50 mM MOPS pH7.4, 50 mM KF, 0.003% (w/v) CHAPS, 10 mM DTT and 0.01% (w/v) BSA and pre-mix 2 comprised 160 nM biotinylated SRC-1 peptide (NCOA1-677-700) and 20 nM Europium-W8044 labelled Streptavidin in assay buffer.Five microliters of pre-mix 2 was dispensed to assay plates containing test compound and incubated for 15 minutes prior to adding five microliters of pre-mix 1. Plates were incubated at room temperature for 1 hour in the dark, prior to reading in a Pherastar multi-mode plate reader using HTRF filter set (ex 320, em 612 and 665). The FRET signal at 665 nM was divided by the signal at 612 nM and multiplied by 10,000 to generate a signal ratio value for each well. The raw data was transformed to % effect using the equation:Compound % effect=100*[(X&#8722;min)/(max&#8722;min)],where X represents the normalized value for the compound based on the Min (vehicle) and Max (reference compound) inhibition control. 
8654	1	Rat FAAH Inhibition Assay	Active rat FAAH protein (30-579) was isolated as described in the literature. The coding sequence of amino acids 30-579 of rat FAAH were cloned into the expression vector pET28a to provide an N-terminal His-tag. Following expression, the His-tagged FAAH (30-579) was isolated using a method based on Patricelli et al., 1998; Biochemistry vol 37, p 15177 with a combination of chelating sepharose, heparin sepharose and size exclusion chromatography.FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate Arachidonoyl 7-Amino, 4-methyl Coumarin Amide (AAMCA) by FAAH. Inhibition of FAAH activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 &#956;l of FAAH protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 120 nM, with increasing concentrations of compounds (2.5 &#956;l in 100% DMSO) for 0, 1 or 3 hours at room temperature. 2.5 &#956;l of DMSO was added for total controls (100% FAAH activity) and 2.5 &#956;l of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 &#956;M) was used for non-specific controls (0% FAAH activity). 20 &#956;l of 7.5 &#956;M AAMCA substrate (in FAAH assay buffer) was then added to all wells and incubated at room temperature for a further 1.5 hours. Fluorescence was determined at an excitation wavelength of 355 nm and an emission wavelength of 460 nm using a Flexstation plate reader (Molecular Devices, UK). Inhibition of FAAH activity, by the compounds, was determined as the percentage reduction in relative fluorescence units (RFU) compared to the total controls (in the absence of compound) minus the non-specific controls. IC50 values were determined, from 10-point dose response curves, in XL-Fit using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model).
8654	2	Human FAAH 1 Assay 	Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate arachidonoyl 7-amino, 4-methyl coumarin amide (AAMCA) by FAAH. Inhibition of human FAAH 1 activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 &#956;l of human FAAH 1 protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 10 nM, with increasing concentrations of compounds (2.5 &#956;l in 100% DMSO) for 1 hour at room temperature. 2.5 &#956;l of DMSO was added for total controls (100% FAAH activity) and 2.5 &#956;l of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 &#956;M) was used for non-specific controls (0 FAAH activity). 20 &#956;l of 7.5 &#956;M AAMCA substrate (in FAAH assay buffer) was then added to all wells and incubated at room temperature for a further 4 hours. Fluorescence was determined at an excitation wavelength of 355 nm and an emission wavelength of 460 nm using a Flexstation plate reader (Molecular Devices, UK). Inhibition of human FAAH 1 activity, by the compounds, was determined as the percentage reduction in relative fluorescence units (RFU) compared to the total controls (in the absence of compound) minus the non-specific controls. IC50 values were determined, from 10-point dose response curves, in XL-Fit using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model).
8655	1	High-Throughput Circadian Assay	Per2 Assay for Evaluating the Potency of Test Compounds.
8656	1	cAMP Assay	CHO-dhfr(minus) cells expressing human GPBAR1 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with flat clear bottom (Corning Costar #3904) in DMEM (Invitrogen No. 31331), lx HT supplement, with 10% fetal calf serum and incubated at 5% CO2 and 37° C. in a humidified incubator. The growth medium was exchanged with Krebs Ringer Bicarbonate buffer with 1 mM IBMX and incubated at 30° C. for 30 min Compounds were added to a final assay volume of 100 &#956;l and incubated for 30 min at 30° C. The assay was stopped by the addition of 50 &#956;l lysis reagent (Tris, NaCl, 1.5% Triton X100, 2.5% NP40, 10% NaN3) and 50 detection solutions (20 &#956;M mAb Alexa700-cAMP 1:1, and 48 &#956;M Ruthenium-2-AHA-cAMP) and shaked for 2 h at room temperature. The time-resolved energy transfer is measured by a TRF reader (Evotec Technologies GmbH, Hamburg Germany), equipped with a ND:YAG laser as excitation source. The plate is measured twice with the excitation at 355 nm and at the emission with a delay of 100 ns and a gate of 100 ns, total exposure time 10 s at 730 (bandwidth 30 nm) or 645 nm (bandwidth 75 nm), respectively. The measured signal at 730 nm has to be corrected for the ruthenium background, the direct excitation of Alexa and the buffer control. The FRET signal is calculated as follows: FRET=T730&#8722;Alexa730&#8722;P(T645&#8722;B645) with P=Ru730&#8722;B730/Ru645&#8722;B645, where T730 is the test well measured at 730 nM, T645 is the test well measured at 645 nm, B730 and B645 are the buffer controls at 730 nm and 645 nm, respectively. cAMP content is determined from the function of a standard curve spanning from 10 &#956;M to 0.13 nM cAMP.
8657	1	Enzyme Assays	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M TCEP) to 6-fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5-fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 &#956;M final concentration were diluted in assay buffer at 6-fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2) and 0.08 ng/ml (HDAC3). The final substrate concentrations used were 16 &#956;M (HDAC1), 10 &#956;M (HDAC2) and 17 &#956;M (HDAC3).Five &#956;l of compounds and 20 &#956;l of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five &#956;l of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated. The IC50 was determined using Graph Pad Prism by a four parameter curve fit. 
8658	1	TR-FRET (time-resolved fluorescence resonance energy transfer) assay	In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed in E. coli and purified by affinity chromatography, and biotin-coactivator peptide SRC1-2 (biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-NH2; SEQ ID NO: 1) containing the LXXLL consensus domain which is responsible for receptor binding. This interaction is detected by addition of Europium labeled-anti-His antibody (Ex. 337 nm, Em. 620 nm, which binds to 6His) and Streptavidin-APC (Ex. 620 nm, Em. 665 nm, which binds to biotin). When receptor and coactivator are bound to each other, upon shining light at 337 nm on the sample, the Europium emits fluorescence that excites APC due to close proximity (FRET) and this signal is measured at 665 nm. Due to the long lasting fluorescence emission of Europium, the non-specific, short-lived fluorescence is time-resolved (TR) from the fluorescence of interest. Inhibitors of the interaction of receptor and coactivator peptide are detected by a decrease in TR-FRET signal.
8659	1	Enzyme Assay	The JAK inhibitory activities of compounds of the present invention were measured.The enzymes (JAK1, JAK2, JAK3 and Tyk2) were purchased from Carna Biosciences, Inc.As the substrate for the enzymes (hereinafter referred to as the substrate), LANCE Ultra ULight-JAK-1 (Tyr1023) Peptide (manufactured by PerkinElmer Co., Ltd.) was used.As the antibody for detecting phosphorylation of the substrate, LANCE Ultra Europium-anti-phospho tyrosine antibody (PT66) (manufactured by PerkinElmer Co., Ltd.) was used.The other reagents are purchased from the following suppliers.Adenosine triphosphate (ATP): Sigma-Aldrich4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES): DOJINDO LABORATORIESGlycol ether diamine tetraacetic acid (EGTA): DOJINDO LABORATORIESMagnesium chloride (MgCl2): Wako Pure Chemical Industries, Ltd.Dithiothreitol (DTT): Wako Pure Chemical Industries, Ltd.Tween 20: Sigma-AldrichEthylenediaminetetraacetic acid (EDTA): DOJINDO LABORATORIESThe compounds of the present invention, the enzymes (JAK1, JAK2, JAK3 and Tyk2), the substrate and ATP were used for the assays after diluted with the assay buffer.The composition of the assay buffer is given below.HEPES (pH7.5): 50 mMEGTA: 1 mMMgCl2: 10 mMDTT: 2 mMTween 20: 0.01% (wt/wt)Dilutions were made at such concentrations and dispensed on a well plate, which will be described later, in such volumes that the following final concentrations would be achieved on the well plate. The enzyme concentrations and the ATP concentrations in the respective enzyme (JAK1, JAK2, JAK3 and Tyk2) assays were as follows.JAK1 enzyme assay; the enzyme concentration was 0.5 &#956;g/mL, and the ATP concentration was 70 &#956;M.JAK2 enzyme assay; the enzyme concentration was 0.013 &#956;g/mL, and the ATP concentration was 10 &#956;M.JAK3 enzyme assay; the enzyme concentration was 0.020 &#956;g/mL, and the ATP concentration was 3 &#956;M.Tyk2 enzyme assay; the enzyme concentration was 0.25 &#956;g/mL and the ATP concentration was 20 &#956;M.The concentration of the substrate for the enzymes was 25 nM.The concentration of EDTA was 15 mM.The concentration of PT66 was 2 nM.
8660	1	In Vitro Assay	LE assay: For inhibition of triacylglycerol product formation, 11 uL, reactions were nm in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute pre-reaction incubation of 5 uL of 2.2X enzyme and 1 uL of 100% DMSO containing test compound or control compound, {4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid. Some assays were performed with inclusion of didecanoylglycerol in the pre-reaction incubation of test compounds and enzyme. Reactions were initiated after 30 minute pre-reaction incubation via addition of 5 uL of 2.2X substrate. Final reaction conditions consisted of 50 mM HEPES pH 7.5, 2 mM MgCl2, 1 mM CHAPS, 25 uM didecanoylglycerol, 0.5 uM decanoyl-CoA, 0.3 nCi/uL [14C]-decanoyl-CoA or 0.5 nCi/uL [3H]-decanoyl-CoA, 0.05-4 ug/mL microsomal protein, and 1% DMSO. Following 60 minute reaction incubation, reactions were stopped with 40 uL of 45% isopropanol and 50 mM sodium carbonate in water and mixed. Extraction of tridecanoylglycerol product was accomplished via addition of 30 uL Microscint-E (Perkin Elmer) and 2 hours of incubation (sealed). Plates were read on a Microbeta Microplate reader. 
8661	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer.
8662	1	Enzyme Inhibition	p38 MAPK&#947;: The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), are evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) is incubated with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) are then added to the enzymes/compound mixtures and the whole is incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
8662	2	Enzyme Inhibition	c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
8662	3	Enzyme Inhibition	GSK 3&#945; Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes instead of 2 hours) with the GSK3-&#945; protein. In addition, the concentrations of test compound employed are either 10 &#956;g/mL, 1 &#956;g/mL, 0.1 &#956;g/mL, or 0.01 &#956;g/m: Method 1: The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific). 
8663	1	Enzymatic Assay 	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog #A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 &#956;g/ml 3×FLAG peptide).The ability of new chemical matter to inhibit the ATR catalytic activity in this ATR/ATRIP complex was assessed using a Caliper-based assay. A 2× enzyme solution (i.e., 4 nM enzyme) was prepared using 1× Kinase Reaction Buffer (25 mM HEPES pH 8, 0.0055% Brij-35, 10 mM MnCl2, and 1 mM DTT). A 2× peptide solution was then prepared consisting of 10 uM FAM-labeled RAD17 peptide (GL Biochem, catalog #524315) in 1× Kinase Reaction Buffer supplemented with 2 &#956;M ATP. 10 &#956;L of the 2× enzyme solution was transferred to an assay plate containing 60 nL of test compound (from a 3× serial dilution) in 100% DMSO. Following a 30 minute incubation at 28° C., 10 &#956;L of the 2× peptide solution was then transferred to the same assay plate. The reaction was allowed to incubate at 28° C. for 6 hours. After adding 30 &#956;L of stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating-3 Reagent (PerkinElmer, catalog # PN760050), and 50 mM EDTA), data were collected on a Caliper instrument.
8664	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [&#947;-33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK) (SEQ ID NO:1).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction was stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 454 of the stopped assay mixture. The plate was washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
8665	1	Kinase Inhibition Assay	One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro Pim-1 kinase reaction. The Kinase-Glo Assay Kit (Promega, Inc., Madison, Wis.) allows this. The amount of ATP remaining in the solution after the kinase reaction serves as a substrate for the luciferase to catalyze luciferin to oxyluciferin plus one photon of light. Thus, the luminescent signal read by the Luminoskan Ascent Instrument (Thermo Electron Corp., Milford, Mass.) correlates with the amount of ATP present after the kinase reaction and inversely correlates with the amount of kinase activity. This assay is efficient at determining the IC50 values of kinase inhibitors against the Pim-1 kinase. These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1× kinase buffer, 10 uM ATP, 100 uM Pim-1-specific substrate, 50 ng of active Pim-1 enzyme, and water in serial dilutions ranging from micromolar to nanomolar concentrations. This solution is incubated at 30 degrees Celsius at 360 rpm for two hours. Following the incubation, 50 ul of Kinase-Glo reagent is added to each well, including all positive and negative control wells, and incubated at room temperature for 15 minutes. The plate is then read by the Luminoskan Ascent instrument and the results displayed with the Ascent Software version 2.6. The IC50 values can then be calculated for each inhibitor tested.
8665	2	Activity Assay	hERG activity assays representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China). 
8666	1	ROCK1 and ROCK2 Kinase Inhibition Assays	The following assay protocol is for measuring the phosphorylation of a peptide substrate (FAM-KKLRRTLSVA-OH wherein FAM is carboxyfluorescein). The peptide is >98% purity by Capillary Electrophoresis. The peptide is phosphorylated by the protein kinase ROCK1 or ROCK2. The ROCK1 or ROCK2 enzyme, substrate, and cofactors (ATP and Mg2+) are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. At the end of the incubation, the reaction is quenched by the addition of an EDTA-containing buffer. The substrate and product are separated and quantified electrophoretically using the microfluidic-based LABCHIP 3000 Drug Discovery System from Caliper Life Sciences (Hopkinton, Mass.).The components of the assay mixture are: 100 mM HEPES, pH 7.5 0.1% BSA 0.01% Triton X-100 1 mM DTT 10 mM MgCl2 10 &#956;M Sodium Orthovanadate 10 &#956;M Beta-Glycerophosphate 5 &#956;M ATP (for ROCK1) or 7 &#956;M ATP (for ROCK2) 1% DMSO (from compound) 1.25 &#956;M FAM-KKLRRTLSVA-OH 3 nM ROCK1 or 2.5 nM ROCK2 enzymeSubstrate and product peptides present in each sample are separated electrophoretically using the LABCHIP 3000 capillary electrophoresis instrument. As substrate and product peptides are separated two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured reflecting enzyme activity. Capillary electrophoregramms (RDA acquisition files) are analyzed using HTS Well Analyzer software (Caliper Life Sciences, Hopkinton, Mass.). The kinase activity in each sample is determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product peptide and S is the peak height of the substrate peptide. For each compound, enzyme activity is measured at various concentrations (12 concentrations of compound spaced by 3× dilution intervals). Negative control samples (0%-inhibition in the absence of inhibitor) and positive control samples (100%-inhibition in the presence of 20 mM EDTA) are assembled in replicates of four and are used to calculate %-inhibition values for each compound at each concentration. Percent inhibition (Pinh) is determined using the following equation:Pinh=(PSR0%&#8722;PSRinh)/(PSR0%&#8722;PSR100%)*100where PSRinh is the product sum ratio in the presence of inhibitor, PSR/% is the average product sum ratio in the absence of inhibitor, and PSR100% is the average product sum ratio in 100%-inhibition control samples. The IC50 values of inhibitors are determined by fitting the inhibition curves (Pinh versus inhibitor concentration) by 4 parameter sigmoidal dose-response model using XLfit 4 software (IBDS).
8667	1	Enzyme-Linked Immunosorbent Assay - ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
8668	1	TR-FRET Assays for XIAP BIR2	For the Bir2 assay, 3.5 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine disclosed as SEQ ID NO: 25), corresponding to amino acids 124-240 of XIAP, was mixed with 3.6 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 24) 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin (Eu-8044 streptavidin, PerkinElmer) and Allophycocyanin conjugated anti-Histidine antibody (Columbia Biosciences) were added to a final concentration of 0.6 nM and 1 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 1 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations. Percentage of inhibition at each concentration was determined to generate an IC50 value for each test compound.
8668	2	TR-FRET Assays for XIAP BIR3	For the Bir3 assay, 13.3 nanomolar BIR3 domain, corresponding to amino acids 241-356 of XIAP, was mixed with 25.2 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 24) 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Alliophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 0.6 nM and 2.5 nM, respectively. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured 0.5 hour later at room temperature. Test compound potency was assessed at 10 serially diluted concentrations. Percentage of inhibition at each concentration was determined to generate an IC50 value for each test compound.
8668	3	TR-FRET Assays for cIAP BIR2	For the Bir2 assay, 12 nanomolar of 6× Histidine-tagged BIR2 domain (6× Histidine38 disclosed as SEQ ID NO: 25), corresponding to amino acids 174-256 of cIAP, was mixed with 19.3 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 24) 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Allophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 0.6 nM and 4 nM, respectively and incubated at room temperature for 60 min. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured after a final overnight incubation at 4° C. Test compound potency was assessed at 10 serially diluted concentrations. Percentage of inhibition at each concentration was determined to generate an IC50 value for each test compound.
8668	4	TR-FRET Assays for cIAP BIR3	For the Bir3 assay, 25.5 nanomolar BIR3 domain, corresponding to amino acids 260-352 of cIAP, was mixed with 41 nM of the peptide AVPIAQKSEK-(&#949;-biotin)-OH (SEQ ID NO: 24) 1:2 TFA, in the presence of 50 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA). Following a 45 min. incubation at 37° C., Europium-Streptavidin and Ailophycocyanin conjugated anti-Histidine antibody were added to a final concentration of 0.6 nM and 6.4 nM, respectively and incubated at room temperature for 60 min. Time-resolved fluorescence resonance energy transfer (TR-FRET) signals were measured after a final overnight incubation at 4° C. Test compound potency was assessed at 10 serially diluted concentrations. Percentage of inhibition at each concentration was determined to generate an IC50 value for each test compound.
8669	1	VEGFR2 Binding Assay	A competition binding assay (DISCOVERX KINOMESCAN ) was used to measure the ability of a compound to compete for binding of an immobilized adenosine triphosphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. The ability of the test compound to compete with the immobilized ligand was measured using quantitative polymerase chain reaction (qPCR) of the DNA tag (Fabian, M. A. et al., 23 Nature Biotechnology 329-336 (2005); Karaman, M. W. et al., 26 Nature Biotechnology 127-132 (2008)).A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer (SEABLOCK (PIERCE), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SEABLOCK, 0.17× phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% TWEEN 20). The beads were re-suspended in elution buffer (1× phosphate buffered saline, 0.05% TWEEN 20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The VEGFR2 concentration in the eluate was measured using qPCR.An 11-point dose response curve of 3-fold serial diluted test compound starting at 1 &#956;M was used to determine the VEGFR2 binding constant (Kd). The compounds were prepared in 100% DMSO at 100× the final test concentration and the diluted to 1× in the assay for final DMSO concentration of 1%. Binding constants were calculated with standard dose-response curve using the Hill equation with Hill slope set to &#8722;1. Curves were fit using a non-linear least square fit with the Levenberg-Marquardt algorithm.
8670	1	RSV assay	Following extensive parameter testing, the final assay is run as follows: HEp-2 cells are seeded into the inner 60 wells of a 96-well plate at 8,000 cells per well in a volume of 50 &#956;L using Growth Media (DMEM without phenol red, 1% L-Glut, 1% Penn/Strep, 1% nonessential amino acids, 10% FBS). 2-fold serial dilutions of control and test compounds are added to the wells in duplicate in a total volume of 25 &#956;L. Viral stock is then added to the wells in a volume of 25 &#956;L, bringing the total volume of each well to 100 &#956;L. Each 96-well plate has a control column of 6 wells with cells and virus but no compound (negative control, max CPE), a column with cells but no compound or virus (positive control, minimum CPE), and a column with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 25 uL of growth media containing an equal quantity of sucrose as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer wells of the plate are filled with 125 &#956;L of growth media to act as a thermal and evaporative moat around the test wells. Following a 4-day incubation period, the plates are read using ATPlite (50 uL added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates are read using the Envision luminometer.
8671	1	Biological Evaluation	The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concentrations at which each compound inhibits the activity to a predefined extent and then comparing the results. Typically, the preferred determination is the concentration that inhibits 50% of the activity in a biochemical assay, i.e., the 50% inhibitory concentration or IC50 . Determination of IC50 values can be accomplished using conventional techniques known in the art. In general, an IC50 can be determined by measuring the activity of a given enzyme in the presence of a range of concentrations of the inhibitor under study. The experimentally obtained values of enzyme activity then are plotted against the inhibitor concentrations used. The concentration of the inhibitor that shows 50% enzyme activity (as compared to the activity in the absence of any inhibitor) is taken as the IC50 value. Analogously, other inhibitory concentrations can be defined through appropriate determinations of activity.
8672	1	Evaluation of Binding Activity for Human TrkA Protein	Measurement was carried out using TrkA LanthaScreen (registered trademark) Eu Kinase Binding Assay (ThermoFisher SCIENTIFIC). To a 384 well plate (Corning), 2.5 &#956;L of the test compound having various concentrations and diluted with Kinase buffer (ThermoFisher SCIENTIFIC) and 2.5 &#956;L of 15 nM TrkA enzyme (ThermoFisher SCIENTIFIC) were added. Moreover, &#956;L of 3 nM Eu-anti-His Tag antibody (ThermoFisher SCIENTIFIC) and 5 &#956;L of 30 nM Kinase (registered trademark) Tracer 236 (ThermoFisher SCIENTIFIC) were added, followed by reaction at room temperature for 60 minutes. After the reaction, the fluorescence intensity of Europium (Emission wavelength 615 nm) and TR-FRET (Emission wavelength 665 nm) with an excitation wavelength of 340 nm were measured with EnVision 2100 (PerkinElmer) to calculate the fluorescence ratio as the amount of the test compound and the TrkA enzyme bonded. The inhibitory activity (IC50 value) of each test compound was calculated with the fluorescence ratio of the well to which a solvent was added instead of the test compound being 0% and the fluorescence ratio of the well without addition of the TrkA protein being 100%.
8673	1	Luciferase Assay	Medium including test compound was aspirated and washed with PBS. 50 &#956;l PBS including 1 mM Mg++ and Ca++ were then added to each well. The luciferase assay was performed using the LucLite kit according to the manufacturer&#39;s instructions (Packard Instruments). Light emission was quantified by counting on a Perkin Elmer Envision reader. To measure 3-galactosidase activity 25 &#956;l supernatant from each transfection lysate was transferred to a new 384 microplate. Beta-galactosidase assays were performed in the microwell plates using a kit from Promega and read in a Perkin Elmer Envision reader. The beta-galactosidase data were used to normalize (transfection efficiency, cell growth etc.) the luciferase data.
8674	1	KLKB1 endpoint assay	Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 hr at Room Temperature with 0.10 &#956;M fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Subsequently, PPACK II (Calbiochem) was added as a stop solution to achieve a final concentration of 1 &#956;M and fluorescence was measured using an Envision Reader (PerkinElmer) with the wavelength excitation setting of 355 nm and the wavelength emission setting of 460 nm.Evaluation of the Inhibition of Human KLKB1 in Dextransulfat Activated Human PPP.Platelet poor plasma (PPP) obtained from human wholeblood, anticoagulated with EDTA, was activated with 12.5 &#956;g/mL dextransulfate for 7 min on ice. The activated PPP was incubated with various concentrations of the test compound in assay buffer. Afterwards the mixture was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm.Evaluation of the Inhibition of KLKB1 (Ki)Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm.
8675	1	Human ELISA assay	Human peripheral blood mononuclear cells (PBMCs) are prepared from heparinized human blood by separation over a Ficoll density gradient.PBMCs are stimulated with phytohemagglutinin (PHA) in the presence of varying concentrations of compounds of the invention or cyclosporine A (CsA), a known inhibitor of cytokine production. Cytokine production is measured using commercially available human ELISA assay kits (from Cell Science, Inc.) following the manufacturers instructions.Alternatively, PBMCs with 10% FCS at 1-2×106/mL are stimulated with pre-coated with anti-CD3 (clone UCHT1) and anti-CD28 (clone ANC28.1/5D10) at 5 &#956;g/mL each, with or without compound or DMSO (maximun concentration: 0.1%). Cell cultures are incubated at 37° C., 5% CO2. Samples of the culture supernatant are collected after 48-72 hrs. incubation for measurement of multiple cytokines. Cytokines present in the supernatants are quantified using BioRad BioPlex assays according to the manufacturer&#39;s instructions.
8676	1	R132H IDH1 Enzymatic Assay	Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is dispensed to a 384-well Greiner Lumitrac 200 assay plate using an Echo Liquid Handler. To each well of the plate is added 20 uL of enzyme in assay buffer or assay buffer alone. Assay buffer consists of 50 mM sodium phosphate, pH 7.0, 50 mM magnesium chloride, 50 mM sodium chloride, and 0.01% (w/v) bovine serum albumin. When present, the R132H mutant IDH1 enzyme is at a working concentration of 1.875 nM (final concentration in assay of 1.5 nM). The assay plate is allowed to incubate for 30 minutes at room temperature and 5 uL of 5× substrate mixture (2.5 uM nicotinamide adenine dinucleotide phosphate, 100 uM adenosine diphosphate, 7.5 mM glyceraldehyde-3-phosphate, 7.5 ug/mL of spinach glyceraldehyde-3-phosphate dehydrogenase, 25 nM phosphoglycerate kinase, and 5 mM alpha-ketoglutarate in assay buffer) is added to all wells. The reaction plate is incubated for 60 minutes followed by addition of 25 uL of Promega Kinase-GLO reagent to all wells and 10-minute incubation.Luminescence is measured using a PerkinElmer Envision plate reader. The percent activity of each dilution is determined as the ratio of background corrected signal to the background corrected signal of wells receiving only DMSO. IC50 values are determined by fitting percent activity data to a four-parameter logistic dose response equation.
8677	1	Biological Assay of the SSAO Enzyme Inhibitors	All assays were performed in room temperature with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 2006, 46, 321-331). The enzyme activity was measured with benzylamine as substrate and utilized the production of hydrogen peroxide for detection. In a horseradish peroxidise (HRP) coupled reaction, hydrogen peroxide oxidation of 10-acetyl-3,7-dihydroxyphenoxazine produced resorufin, which is a highly fluorescent compound (Zhout and Panchuk-Voloshina. Analytical Biochemistry 1997, 253, 169-174; Amplex Red Hydrogen Peroxide/peroxidise Assay kit, Invitrogen A22188).Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer (50 mM sodium phosphate, pH 7.4) yielded a final DMSO concentration &#8804;2%. Enzyme and compounds were set to pre-incubate in flat-bottomed microtiter plates for approximately 60 minutes before initiating the reaction by addition of a mixture of HRP, benzylamine and Amplex reagent. Fluorescence intensity was then measured at several time points (15 minutes, 20 minutes and 30 minutes) exciting at 544 nm and reading the emission at 590 nm). Final concentrations of the reagents in the assay wells were: SSAO enzyme 2 &#956;g/ml, benzylamine 100 &#956;M, Amplex reagent 20 &#956;M, HRP 0.1 U/mL and varying concentrations of test compound. The inhibition was measured as % decrease of the signal compared to a control without inhibitor (only diluted DMSO). The background signal from a sample containing no SSAO enzyme was subtracted from all data points. Data was fitted to a four parameter logistic model and IC50 values were calculated using the GraphPad Prism 4 or XLfit 4 programs.
8678	1	Measurement of Inhibition of MPS1 Kinase	The enzyme reaction (total volume 10 &#956;l) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2] (5 &#956;M), ATP (10 &#956;M), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 &#956;M in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 &#956;M MgCl2, 1 &#956;M DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 &#956;l) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences).The reader provides a Software package ( Reviewer ) which converts the peak heights into % conversion by measuring both product and substrate peak and also allows selection of control well which represent 0% and 100% inhibition, respectively. The % inhibition of the compounds is calculated relative to the means of selected control wells. IC50s are determined by testing the compounds at a range of concentrations from 0.25 nM-100 &#956;M. The % inhibitions at each concentration are then fitted to a 4 parameter logistic fit.
8679	1	Radio-Ligand ROR gamma Binding Assay (Assay 1)	Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR gamma Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR gamma LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR gamma inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
8680	1	JAK Inhibition Activity Assays	Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Required cofactors are added individually to each kinase reaction. Assays were carried out according to vendor&#39;s specifications as followings:Prepare indicated substrate in freshly prepared Base Reaction Buffer        Deliver any required cofactors to the substrate solution above        Deliver indicated kinase into the substrate solution and gently mix        Deliver compounds in DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 20 minutes at room temperature        Deliver 33P-ATP (specific activity 10 &#956;Ci/&#956;l) into the reaction mixture to initiate the reaction.        Incubate kinase reaction for 2 hours at room temperature        Reactions are spotted onto P81 ion exchange paper        Detect kinase activity by filter-binding method.
8681	1	PDE10A Scintillation Proximity Assay	The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one previously described (Fawcett, L. et al., ProcNatl Acad Sci USA (2000) 97(7):3702-3707).The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 &#956;l contained 20 mM HEPES pH=7.5/10 mM MgCl2/0.05 mg/ml BSA (Sigma cat. # A-7906), 50 nM cGMP (Sigma, cat. # G6129) and 50 nM [3H]-cGMP (GE Healthcare, cat. # TRK392 S. A. 13.2 Ci/mmol), 3.75 ng/well PDE10A enzyme (Enzo Life Science, Lausen, Switzerland cat # SE-534) with or without a specific test compound. A range of concentrations of the potential inhibitor was used to generate data for calculating the concentration of inhibitor resulting in 50% of the effect (e.g. IC50, the concentration of the competitor inhibiting PDE10A activity by 50%). Non-specific activity was tested without the enzyme. The reaction was initiated by the addition of the substrate solution (cGMP and [3H]-cGMP) and allowed to progress for 20 minutes at room temperature. The reaction was terminated by adding 25 &#956;l of YSi-SPA scintillation beads (GE Healthcare, cat. # RPNQ0150) in 18 mM zinc sulphate solution (stop reagent). After 1 h under shaking, the plate was centrifuged one minute at 170 g to allow beads to settle. Afterwards, radioactive counts were measured on a Perkin Elmer TopCount Scintillation plate reader.
8682	1	Biological Assays	Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1.) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF&#946;R1 T204D or HIS-TGF&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule probe (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
8683	1	BTKWT Binding Affinity	BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5 nM Recombinant BTKWT kinase, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-His Antibody and 15 nM Kinase Tracer 236 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant BTK kinase and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
8683	2	BTKC481S Binding Affinity	BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 5 nM Recombinant BTKWT kinase, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-His Antibody and 30 nM Kinase Tracer 236 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant BTKC481S kinase was purchased from SignalChem and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
8683	3	EGFR Binding Affinity	EGFR binding affinity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5 nM Recombinant EGFR, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-GST Antibody and 3 nM Kinase Tracer 199 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant EGFR and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
8684	1	Patch-Clamp Assay for Inhibitory Activity on Kv1.3	For a description of a Kv1.3 patch-clamp assay, see Grissmer et al., Mol. Pharmacol. 1994, 45, 1227; whole cell patch-clamp recording was performed with n&#8805;2 individual experiments at each compound concentration using different cells. Three or more different concentrations were determined per dose response curve.
8685	1	Activity Inhibition Assay	Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) as an enzyme, 4-methylumbelliferyl-a-D-N-acetylneuraminic acid (SIGMA, M8639) mixed in 0.1 mM acetate buffer [50 mM sodium acetate (pH 5.0)] as a substrate, and inhibitors dissolved in methanol in each concentration were prepared. Fluorescence analysis was observed by SpectraMax M3 through excitation at 365 nm and emission at 450 nm (gain 40 nm). The activity analysis was performed on a 96 well plate (SPL Life Sciences, Korea) by providing total 200 &#956;l of a solution comprising an enzyme (10 &#956;l), a substrate (20 &#956;l), an inhibitor (10 &#956;l), and an acetate buffer (160 &#956;l). By plotting initial rates of inhibition reactions occurring at different concentrations of inhibitors, the inhibition capability was evaluated. 
8686	1	Competition Binding Assay	The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Example 1) and for Compound A. As described above, Ki for each compound was obtained using a competition binding assay which employed a filtration-based format utilizing membranes prepared from CHO-K1 cells expressing human GPR6 cDNA; IC50 for each compound was obtained using a hERG functional assay which employed an automated whole cell patch-clamp system utilizing CHO-K1 cells transfected with human hERG cDNA.
8687	1	Inhibition Assay	The IC50 values for the PHD2 enzyme (residues 181-417) were determined by mixing increasing amounts of inhibitor with a fixed amount of enzyme (5 nM, final concentration) and Biotin labeled peptide (Biotin-Asp-Leu-Glu-Met-Leu-Ala-Pro-Tyr-Ile-Pro-Met-Asp-Asp-Asp-Phe-Gln-Leu, 1 uM final concentration) and 2-Oxyglutarate (2 uM final concentration) in 50 mM HEPES, 50 mM KCl, 0.5 mM TCEP, 2 uM FeCl2, 0.1 mg/ml BSA, at pH 7.3. The reaction was conducted by pre-incubating the enzyme in the presence of inhibitor for 60 min at room temperature. The activity of the free enzyme was measured by adding the peptide, the 2-Oxoglutarate (see above for final concentrations), and Ascorbic Acid (1 mM final concentration). The enzymatic activity was quenched after 60 min by adding an excess of a tight binding inhibitor to the assay mixture. The amount of product released was measured by using a LC/MS system (Agilent HPLC with Applied Biosystems API3000 Mass Spectrometer).
8688	1	EPX Bromination Assay 	EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassium bromide. A 50 &#956;l mixture of 0.6 &#956;M EPX (Lee Biosolutions Cat. #342-60) was added to 100 nL inhibitor in 100% DMSO in a 384 well REMP plate. Enzyme and compound were preincubated for ten minutes at room temperature.After the ten minute preincubation of enzyme and inhibitor, 25 &#956;L of a mixture containing 400 &#956;M tyrosine and 1200 &#956;M potassium bromide was added to the plate containing enzyme and inhibitor, followed by the addition of 25 &#956;l of 20 &#956;M H2O2. The reaction was allowed to proceed for 15 minutes, at which time it was quenched with 10 &#956;L of 20% TCA. The final concentrations of all components were 0.3 &#956;M EPX, 100 &#956;M tyrosine, 400 &#956;M potassium bromide, 5 &#956;M H2O2, 0.1% DMSO, 2.0% TCA.
8689	1	G9a Enzyme Activity Assay	The biochemical assay to measure G9a enzyme activity relies on time-resolved fluorescence energy transfer (TR-FRET) between europium cryptate (donor) and XL665 (acceptor). TR-FRET is observed when biotinylated histone monomethyl-H3K9 peptide is incubated with cryptate-labeled anti-dimethyl-histone H3K9 antibody (CisBio Cat#61KB2KAE) and streptavidin XL665 (CisBio Cat#610SAXLA), after enzymatic reaction of G9a.The human G9a enzyme expressed in a baculovirus infected Sf9 cell expression system was obtained from BPS Biosciences (Cat. #51001). Enzyme activity assay was carried out in a white 384-well plate in a final volume of 20 &#956;l, as follow: 4 &#956;l of vehicle or studied compound 2.5× concentrated prepared in assay buffer (50 mM Tris-HCl, 10 mM NaCl, 4 mM DTT, 0.01% Tween-20 pH9). Final percentage of DMSO was 0.5%. 2 &#956;l of 1 nM G9a enzyme diluted in assay buffer. Final concentration was 0.2 nM. Start the reaction by adding 4 &#956;l of substrate mixture containing 20 &#956;M S-adenosylmethionine and 40 nM biotinylated histone monomethyl-H3K9 peptide. Reaction was carried out during 1 hour at room temperature. Enzyme activity was stopped by adding 5 &#956;l of cryptate-labeled anti-dimethyl-histone H3K9 antibody. Final concentration 150 nM. Then, add 5 &#956;l of streptavidin XL665 beads. Final concentration of 16 &#956;M. Read the plate after 1 hour of incubation at room temperature.For each well, fluorescence was measured at 620 nm and 665 nm. A ratio (665 nm/620 nm) was then calculated in order to minimize medium interferences. Positive control was obtained in the presence of the vehicle of the compounds. Negative control was obtained in the absence of G9a enzyme activity. Calculated IC50 values were determined using GraphPrism using 4-parameters inhibition curve.
8689	2	DNMT1 Enzyme Activity Assay	The biochemical assay to measure DNMT1 enzyme activity relies on time-resolved fluorescence energy transfer (TR-FRET) between lumi4-Tb (donor) and d2 (acceptor) using the EPlgeneous methyltransferase assay (CisBio Cat#62SAHPEB). TR-FRET is observed when antibody specific to S-adenosylhomocysteine labeled with Lumi4-Tb is incubated with d2-labeled S-adenosylhomocysteine. TR-FRET signal is inversely proportional to the concentration of SAH, product of DNMT1 enzyme activity, in the sample. The human DNMT1 was obtained from Reaction Biology Corp. (Cat# DMT-21-124).Enzyme activity assay was carried out in a white 384-well plate in a final volume of 20 &#956;l, as follow: 4 &#956;l of vehicle or studied compound 2.5× concentrated prepared in assay buffer (50 mM Tris-HCl, 1 mM EDTA, 1 mM DTT, 0.1% Triton X-100, 5% glycerol pH 7.5). Final percentage of DMSO was 0.5%. 2 &#956;l of 1 nM DNMT1 enzyme diluted in assay buffer. Final concentration was 20 nM. Start the reaction by adding 4 &#956;l of substrate mixture containing 1 &#956;M S-adenosylmethionine and 1 &#956;M poly-deoxy inosine poly-deoxy cytosine (pdI-pdC) DNA. Reaction was carried out during 15 minutes at 37° C. Enzyme activity was stopped by adding 2 &#956;l of buffer one of the EPIgeneous methyltransferase assay. After 10 minutes at room temperature, it was added 4 &#956;l of antibody specific to S-adenosylhomocysteine labeled with Lumi4-Tb 50× diluted in buffer two of the EPIgeneous methyltransferase assay. Add 4 &#956;l of d2-labeled S-adenosylhomocysteine 31× diluted in buffer two of the EPIgeneous methyltransferase assay. Read the plate after 1 hour of incubation at room temperature.For each well, fluorescence was measured at 620 nm and 665 nm. A ratio (665 nm/620 nm) was then calculated in order to minimize medium interferences. Positive control was obtained in the presence of the vehicle of the compounds. Negative control was obtained in the absence of G9a enzyme activity. Calculated IC50 values were determined using GraphPrism using 4-parameters inhibition curve.
8690	1	Reporter Gene Assay	Human embryonic kidney 293 (HEK 293) cells were stably transfected with human TLR7 and an NF-kB-driven luciferase reporter vector (pNifty-Luciferase). As a control assay, normal Hek293 transfected with pNifty-Luc were used. Cells were cultured in DMEM supplemented with 2 mM L-glutamine, 10% heart inactivated FBS, 1% penicillin and streptomycin, 2 &#956;g/ml puromycin (InvivoGen #ant-pr-5) and 5 &#956;g/ml of blasticidin (Invitrogen #46-1120). Bright-Glo Luciferase assay buffer and substrate were supplied by Promega #E263B and #E264B (assay substrate and buffer respectively). 384 well clear-bottom plates were supplied by Greiner bio-one (#789163-G) and were custom bar-coded plates.Cells were plated at 25,000 cells/well in 384-well plates in a final volume of 50 &#956;l of media. Cells were allowed to adhere to the plates after overnight (18 hours) culture at 37° C. and 5% CO2. Serially diluted experimental and positive control compounds were then dispensed to each well and incubated for 7 hours at 37° C. and 5% CO2. Cells stimulated with DMSO alone also serve as negative controls. After the incubation, 30 &#956;l of the pre-mix assay buffer and substrate buffer were added to each well according to manufacturer&#39;s instructions. The luminescence signal was read on a CLIPR machine with an integration time of 20 seconds per plate.Dose response curves are generated for each compound and EC50 values were determined as the concentration that gives 50% of the maximal signal.
8691	1	Scintillation Proximity Binding Assay	Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer&#39;s recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 &#956;l per well in SPA buffer (1×PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7 Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 &#956;M of unlabeled retinol.The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4° C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
8692	1	Binding Assay	All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &#956;M and 4 &#956;l transferred to low-volume 384-well plates (ProxiPlate-384 Plus, PerkinElmer, USA), followed by 4 &#956;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were sealed and incubated at room temperature for 30 minutes, before the addition of 4 &#956;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2): H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH (SEQ ID NO: 5); peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (SEQ ID NO: 6) (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &#956;l of streptavidin-coated donor beads (25 &#956;g/ml) and 4 &#956;l nickel chelate acceptor beads (25 &#956;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERAstar FS plate reader (BMG Labtech, Germany) using an AlphaScreen 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GraphPad Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &#956;l reaction volume.
8693	1	Enzyme Assay	The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z&#8242;-LYTE assays run by ThermoFisher Scientific as part of their SelectScreen Biochemical Kinase Profiling Service. The Z&#8242;-LYTE biochemical assay format employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. The peptide substrate is labeled with two fluorophores one at each end that make up a FRET pair. In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine, serine or threonine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognises and cleaves non-phosphorylated FRET-peptides. Phosphorylation of FRET-peptides suppresses cleavage by the Development Reagent. Cleavage disrupts FRET between the donor (i.e., coumarin) and acceptor (i.e., fluorescein) fluorophore on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET. A ratiometric method, which calculates the ratio (the Emission Ratio) of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, is used to quantitate reaction progress. Both cleaved and uncleaved FRET-peptides contribute to the fluorescence signals and therefore to the Emission Ratio. The extent of phosphorylation of the FRET-peptide can be calculated from the Emission Ratio. The Emission Ratio will remain low if the FRET-peptide is phosphorylated (i.e., no kinase inhibition) and will be high if the FRET-peptide is non-phosphorylated (i.e., kinase inhibition).
8694	1	Inhibition Scintillation Proximity Assay	In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate through a series of reactions by the FASN protein, which contains 7 functional domains and carries out 7 enzymatic reactions to ultimately produce 3H-palmitate. The assay principle is based upon the fact that 3H-acetyl-CoA is hydrophilic and the end product, 3H-palmitate is hydrophobic. The hydrophobic 3H-palmitate binds to scintillation proximity assay (SPA) imaging beads (resulting in light emission from the imaging beads) whereas the hydrophilic 3H-acetyl-CoA does not bind to the imaging beads (and therefore does not result in light emission from the imaging beads).10 &#956;L assay buffer (100 mM KH2PO4 pH 7.5, 1 mM DTT) (20 &#956;L in blanks) was added to a 384-well white OptiPlate plate (Perkin Elmer). 0.9 &#956;L test compound (at concentrations of 30 &#956;M, 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.30 &#956;M, 0.10 &#956;M, 0.03 &#956;M and 0.01 &#956;M)/DMSO and 10 &#956;L hFASN enzyme (full length, 300 ng, purified in house) or 10 &#956;L assay buffer was added to the wells. Then 10 &#956;L 450 &#956;M NADPH (Sigma N7505), 18.75 &#956;M [3H]-acetyl-CoA (Perkin Elmer NET-290L), 150 &#956;M malonyl-CoA (Sigma M4263) were added, mixed and incubated at room temperature for 60 minutes. The reaction was stopped by adding 20 &#956;L Streptavidin coupled imaging beads (25 mg/ml). After incubation for 30 minutes at room temperature in the dark, the 384 well plate was centrifuged at 1500 rpm for 3 minutes and was measured after at least 24 hrs by the LEADseeker, measuring emission using a 610±20 nm pass filter.
8695	1	Malachite Green ATPase Assay	 (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris-HCl, pH 7.4, (b) 150 mM KCl, (c) 6 mM MgCl2. Stored at room temperature. (3) 0.0812% (w/v) malachite green (M 9636, Sigma Aldrich Ltd., Poole, UK). Stored at room temperature. (4) 2.32% (w/v) polyvinyl alcohol USP (P 1097, Sigma Aldrich Ltd, Poole, UK) in boiling water (see Comment 1), allowed to cool, and stored at room temperature. (5) 5.72% (w/v) ammonium molybdate in 6 M hydrochloric acid. Stored at room temperature. (6) 34% (w/v) sodium citrate. Stored at room temperature. (7) 100 mM ATP, disodium salt, special quality (47699, Sigma Aldrich). Stored at &#8722;20° C. (8) E. coli expressed yeast HSP90 protein, purified >95% (see, e.g., Panaretou et al., 1998) and stored in 50 uL aliquots at &#8722;80° C. Method 1. Dilute test compounds to 500 &#956;M in AR water (DMSO concentration will be 2.5%). Transfer 2.5 &#956;l of these compounds directly from the daughter plate to the assay plate, giving a final assay concentration of 100 &#956;M. To obtain 12 point IC50 values, perform serial dilutions 1:2 to produce a range of assay concentrations from 100 &#956;M to 97.6 nM (2.5% DMSO), and transfer 2.5 &#956;l of each concentration into the assay plate. Column 1 in the assay plate contains no compound, as a negative control. An additional row with no compound is also used as a background. 2. Prepare ATP by diluting 100 mM stock to 925 &#956;M with assay buffer, and aliquot 5 &#956;l of diluted ATP to each well including controls (final assay concentration 370 &#956;M). 3. Add 5 &#956;l of buffer to background row. 4. Dilute enzyme preparation to 1.05 &#956;M with assay buffer, and aliquot 5 &#956;l into each compound well and to the negative control column. 5. Collect the reagents to the bottom of the well, cover plate with plate seal and incubate overnight at 37 deg C. 6. First thing in the morning prepare the Malachite Green Reagent. Add 2 parts of Malachite Green Solution, 1 part of Polyvinyl Alcohol Solution, 1 part of Ammonium Molybdate Solution, and 2 parts of AR water. 7. Invert to mix, and leave for approximately 1 hour until the colour turns from brown to golden yellow. 8. Add 40 &#956;l of Malachite Green Reagent to each well, allow 5 mins for colour to develop. 9. Add 5 &#956;l of Sodium Citrate Reagent to each well (see comment 2) 10. Re-cover with plate seal and shake on plate shaker for at least 15 mins. 11. Measure Absorbance at 620 nM using a suitable plate reader (e.g. Victor, Perkin Elmer Life Sciences, Milton Keynes, UK). Under these conditions, the control absorbance is 0.9 to 1.4, and the background is 0.2-0.35 giving a signal to noise ratio of 12. The Z&#8242; factor calculated from data obtained using these conditions is between 0.6 and 0.9. Comments
8696	1	BTK IC50 Enzyme Assay	2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM Hepes, pH 7.5, and 10 mM DTT.5 uL of enzyme buffer and 7.5 uL of ATP/kinKDR peptide substrate mix were added to Matrix (#115304) 384-well, sterile, polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 27 C. Following the incubation period, reactions were stopped by adding 60 uL stop buffer consisting of 100 mM Hepes, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (Caliper Life Sciences, Mountain View, Calif.), 5% DMSO. Stopped reactions were monitored at &#8722;2 PSI, &#8722;3000 V/&#8722;700 V in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, Mass.), and the activity was measured by off-chip mobility shift assay measuring the charge/mass difference between substrate and product resulting from peptide phosphorilation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel, Switzerland).
8697	1	Inhibition Assay	Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). 1 &#956;l of the diluted substance solutions is placed into each of the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 mM of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBz1)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
8698	1	Mutant IDH1 R132H Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
8699	1	Inhibition Activity Assay	LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
8699	2	Inhibition Activity Assay	MAO-A: The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100 
8699	3	Inhibition Activity Assay	MAO-B: The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100.
8700	1	In Vitro Electrophysiological Assay	In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSubsequently, the oocytes were injected with 0.5-5 ng of a cRNA solution coding for TASK-1 or TASK-3. For the electrophysiological analysis of the channel proteins expressed in the oocytes, the two-electrode voltage clamp technique was used. The measurements were conducted at room temperature (21-22° C.) using a Turbo TEC 10CD amplifier (NPI), recorded at 2 kHz and filtered with 0.4 kHz. Substance administration was performed using a gravitation-driven perfusion system. Here, the oocyte is located in a measuring chamber and exposed to the solution stream of 10 ml/min. The level in the measuring chamber is monitored and regulated by sucking off the solution using a peristaltic pump.
8701	1	Inhibition Assay	MMP-2: Recombinant MMP-2 expressed in Chinese hamster ovary (CHO) cells was obtained from Merck-Millipore (catalog number PF023-5UG). DQ gelatin from pig skin fluorescein conjugated (MMP-2 substrate) was obtained from Life Technologies (catalog number E12055).Preparation of the MMP-2 for the activity assay: MMP-2 was provided as a stock solution (0.1 mg/mL). The enzyme was diluted in 1× reaction buffer to a final concentration of 5 &#956;g/mL.Preparation of the DQ gelatin (substrate) solution for the activity assay: the solid form of the substrate was dissolved in water in order to obtain a stock solution of 1 mg/mL.Procedure: The enzymatic assays were performed in 96-well microtiter plate, which allowed simultaneous monitoring of multiple reactions. For each reaction, 86.3 &#956;L of 1× reaction buffer (pH 7.6), 1.7 &#956;L of MMP-2 (final concentration 85 ng/mL) and 2 &#956;L of the corresponding new compound were added to each well. A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Finally, to the mixture contained in each well 10 &#956;L of the substrate were added (final concentration 50 &#956;g/mL). The reaction was incubated for 2 hours at room temperature in an orbital shaker (100 rpm).The inhibitory activity of the new compound was measured fluorimetrically. The excitation and emission wavelengths were 483 and 525 nm, respectively.
8701	2	Inhibition Assay	MMP-9: Recombinant MMP-9 expressed was obtained from Merck-Millipore (catalog number PF140-5UG, used in examples 1 to 9 and comparative examples) and Enzo (catalog number-SE360-0010, used in examples 10 to 16). DQ gelatin from pig skin fluorescein conjugated (MMP-9 substrate) was obtained from Life Technologies (catalog number E12055).Preparation of the MMP-9 for the activity assay: MMP-9 was provided as a stock solution (0.1 mg/mL). The enzyme was diluted in 1× reaction buffer to a final concentration of 5 &#956;g/mL.Preparation of the DQ gelatin (substrate) solution for the activity assay: the solid form of the substrate was dissolved in water in order to obtain a stock solution of 1 mg/mL.Procedure: The enzymatic assays were performed in 96-well microtiter plate, which allowed simultaneous monitoring of multiple reactions. For each reaction, 84.6 &#956;L of 1× reaction buffer (pH 7.6), 3.4 &#956;L of MMP-9 (final concentration 85 ng/mL) and 2 &#956;L of the corresponding new compound were added to each well. A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Finally, to the mixture contained in each well 10 &#956;L of the substrate were added (final concentration 50 &#956;g/mL). The reaction was incubated for 4 hours at room temperature in an orbital shaker (100 rpm).
8701	3	Inhibition Assay	MMP-1:MMP-1 peptide substrate was provided as a stock solution in DMSO (6 mM). For the assay, the substrate was diluted 1× reaction buffer to a concentration of 100 &#956;M.Procedure: The enzymatic assays were performed in 96-well microtiter plate, which allowed simultaneous monitoring of multiple reactions. For each reaction, 86 &#956;L of 1× reaction buffer (pH 7.6), 2 &#956;L of MMP-1 (final concentration 5.52 nM) and 2 &#956;L of the corresponding new compound were added to each well. A stock solution of the new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Finally, to the mixture contained in each well 10 &#956;L of the substrate were added (final concentration 10 &#956;M). The reaction was incubated for 4 hours at room temperature in an orbital shaker (100 rpm).
8701	4	Inhibition Assay	MMP-3: Preparation of the MMP-3 for the activity assay: MMP-3 was provided as a stock solution (0.1 mg/mL). The enzyme was diluted in water to a final concentration of 0.005 mg/mL.MMP-3 peptide substrate was provided as a stock solution in DMSO (4.5 mM). For the assay, the substrate was diluted 1× reaction buffer to a concentration of 100 &#956;M.Procedure: The enzymatic assays were performed in 96-well microtiter plate, which allowed simultaneous monitoring of multiple reactions. For each reaction, 84.6 &#956;L of 1× reaction buffer (pH 7.6), 3.4 &#956;L of MMP-3 (final concentration 7.7 nM) and 2 &#956;L of the corresponding new compound were added to each well. A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Finally, to the mixture contained in each well 10 &#956;L of the substrate were added (final concentration 10 &#956;M). The reaction was incubated for 4 hours at room temperature in an orbital shaker (90 rpm).
8701	5	Inhibition Assay	MMP-7: Recombinant MMP-7 expressed in E. Coli was obtained from Merck-Millipore (catalog number 44270). Mca-PLGL-Dpa-AR-NH2 (fluorogenic peptide substrate) was obtained from R&D Systems (catalog number ES001).Preparation of the MMP-7 for the activity assay: MMP-7 was provided as a stock solution (2.1 mg/mL). The enzyme was diluted in water to a final concentration of 0.005 mg/mL.MMP-7 peptide substrate was provided as a solid (1 mg). A 4 mM stock solution of the substrate in DMSO was obtained by adding 214.7 &#956;L of DMSO. After which, a 100 &#956;M solution of substrate was prepared in 1× reaction buffer.Procedure: The enzymatic assays were performed in 96-well microtiter plate, which allowed simultaneous monitoring of multiple reactions. For each reaction, 84.6 &#956;L of 1× reaction buffer (pH 7.6), 3.4 &#956;L of MMP-7 (final concentration 8.3 nM) and 2 &#956;L of the corresponding new compound were added to each well. A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Finally, to the mixture contained in each well 10 &#956;L of the substrate were added (final concentration 10 &#956;M). The reaction was incubated for 4 hours at room temperature in an orbital shaker (90 rpm).
8702	3	Inhibition Assay	hERG: The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 mL/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. 
8702	4	Enzyme Inhibition Assay	CYP P450: Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as:(M t &#8722;M 0)/M water×100%in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. 
8703	1	Binding Affinity Assay	The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared from PC12 cells stably expressing human VAChT according to the methods as previously described32. Nonspecific binding was determined from samples containing 1 &#956;M of nonradioactive (±)-Vesamicol. The test compounds were assayed in increments of 10-fold from 0.1 to 10,000 nM concentration. The surfaces of containers were pre-coated with Sigmacote (Sigma-Aldrich, Mo.). Samples containing 200 &#956;g postnuclear supernatant in 200 &#956;L of 110 mM potassium tartrate, 20 mM HEPES (pH 7.4 with KOH), 1 mM dithiothreitol, and 0.02% sodium azide were incubated at 22° C. for 24 h. A volume of 90 &#956;L was filtered in duplicate through GF/F glass fiber filters coated with polyethylenimine and washed. Filter-bound radioactivity was determined by liquid scintillation spectrometry for 10 min per sample. Averaged data were fitted by regression with a rectangular hyperbola to estimate Ki value. All the compounds were independently assayed at least two times.
8704	1	Inhibition Assay	The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm).
8704	2	Activity Assay	To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of a peptidic plasma kallikrein substrate to determine the enzymatic activity of human plasma kallikrein. Here, plasma kallikrein cleaves from the peptic plasma kallikrein substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). 
8705	1	Biochemical Assay	The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a Perkin Elmer EnVision&#153; plate reader in fluorescence polarisation mode.
8706	1	Enzyme Binding Assay	Kinase enzyme binding affinities of compounds disclosed herein were determined using the KINOMEscan technology
8707	1	Receptor Radioligand Assay	To investigate binding properties of test compounds to human &#963;1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to MultiScreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail
8708	1	Reporter Displacement Assay	HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8.0, 1 mM DTT, 150 mM NaCl, and 0.01% Tween20. Components are pre-incubated for 30 min, then a small volume of reporter probe (Proteros) is added from a highly concentrated stock and incubation is continued for another 30 min. Final concentrations after adding the reporter probe amount to 20 nM HDAC2, 4 nM antibody, and 180 nM probe.
8709	1	Kinase-Inhibiting Activity Assay	JAK 1: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a substrate peptide, a substrate peptide for QSS Assist JAK1-MSA assay kit (Carna Biosciences, Inc.) was purchased. As such a kinase protein, a purified recombinant human JAK1 protein (Carna Biosciences, Inc.) was purchased.The method for measuring the inhibiting activity is as follows. First, the compounds of the present invention were each dissolved in dimethyl sulfoxide (DMSO), and a serial dilution was then prepared using DMSO. Subsequently, a serial dilution solution of the compound (the final concentration of DMSO upon a kinase reaction: 5.0%) or DMSO (final concentration: 5.0%) was mixed with a solution comprising the substrate peptide (final concentration: 1 &#956;M), magnesium chloride (final concentration: 5 mM) and ATP (final concentration: 75 &#956;M) in a buffer for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiothreitol and 0.01% Triton X-100). Thereafter, a JAK1 protein was further added to the mixed solution, and the obtained mixture was then incubated at 25° C. for 120 minutes to carry out a kinase reaction. To the reaction solution, EDTA was added to a final concentration of 30 mM, so as to terminate the reaction. Finally, using LabChip EZ Reader II (Perkin Elmer Corp.), an unphosphorylated substrate peptide (S) and a phosphorylated peptide (P) were subjected to microchannel capillary electrophoresis, so that the two peptides were separated from each other and were then detected.
8709	2	Kinase-Inhibiting Activity Assay	JAK 2: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a substrate peptide, FL-Peptide 22 (Perkin Elmer Corp.) was purchased. As such a kinase protein, a purified recombinant human JAK2 protein (Carna Biosciences, Inc.) was purchased.The method for measuring the inhibiting activity is as follows. First, a serial dilution of the compound of the present invention was prepared by the same method as that described in the above section regarding JAK1. This serial dilution solution (the final concentration of DMSO upon a kinase reaction: 5.0%) or DMSO (final concentration: 5.0%) was mixed with a solution comprising the substrate peptide (final concentration: 1 &#956;M), magnesium chloride (final concentration: 10 mM) and ATP (final concentration: 10 &#956;M) in a buffer for kinase reaction (15 mM Tris (pH 7.5), 2 mM dithiothreitol and 0.01% Tween 20). Thereafter, a JAK2 protein was further added to the mixed solution, and the obtained mixture was then incubated at 25° C. for 80 minutes to carry out a kinase reaction. To the reaction solution, EDTA was added to a final concentration of 30 mM, so as to terminate the reaction.
8709	3	Kinase-Inhibiting Activity Assay	JAK3: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a substrate peptide, a substrate peptide for QSS Assist JAK3-MSA assay kit (Carna Biosciences, Inc.) was purchased. As such a kinase protein, a purified recombinant human JAK3 protein (Carna Biosciences, Inc.) was purchased.The method for measuring the inhibiting activity is as follows. First, a serial dilution of the compound of the present invention was prepared by the same method as that described in the above section regarding JAK1. This serial dilution solution (the final concentration of DMSO upon a kinase reaction: 5.0%) or DMSO (final concentration: 5.0%) was mixed with a solution comprising the substrate peptide (final concentration: 1 &#956;M), magnesium chloride (final concentration: 5 mM) and ATP (final concentration: 5 &#956;M) in a buffer for kinase reaction (20 mM HEPES (pH 7.5), 2 mM dithiothreitol and 0.01% Triton X-100). Thereafter, a JAK3 protein was further added to the mixed solution, and the obtained mixture was then incubated at 25° C. for 80 minutes to carry out a kinase reaction. To the reaction solution, EDTA was added to a final concentration of 30 mM, so as to terminate the reaction.
8710	1	Enzymatic Assay	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog #A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 &#956;g/ml 3×FLAG peptide).The ability of new chemical matter to inhibit the ATR catalytic activity in this ATR/ATRIP complex was assessed using a Caliper-based assay. A 2x enzyme solution (i.e., 4 nM enzyme) was prepared using 1× Kinase Reaction Buffer (25 mM HEPES pH 8, 0.0055% Brij-35, 10 mM MnCl2, and 1 mM DTT). A 2x peptide solution was then prepared consisting of 10 uM FAM-labeled RAD17 peptide (GL Biochem, catalog #524315) in 1× Kinase Reaction Buffer supplemented with 2 &#956;M ATP. 10 &#956;L of the 2× enzyme solution was transferred to an assay plate containing 60 nL of test compound (from a 3× serial dilution) in 100% DMSO. Following a 30 minute incubation at 28° C., 10 &#956;L of the 2× peptide solution was then transferred to the same assay plate. The reaction was allowed to incubate at 28° C. for 6 hours. After adding iL of stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating-3 Reagent (PerkinElmer, catalog #PN760050), and 50 mM EDTA), data were collected on a Caliper instrument. 
8711	1	In Vitro Rat FAAH Radiometric Assay	Rat FAAH was prepared from male Sprague Dawley rat brains, homogenized in a potter in 20 mM of Tris HCl pH 7.4, 0.32 M sucrose.The radiometric assay used to measure FAAH activity was performed in Eppendorf tubes: 50 &#956;g of total rat brain homogenate were pre-incubated in 445.5 &#956;L of assay buffer (50 mM Tris-HCl pH 7.4, 0.05% Fatty acid-free-bovine serum albumin (BSA)) with 4.5 &#956;L of inhibitor (at appropriate concentration in DMSO) or DMSO alone (to measure FAAH total activity) for 10 min at 37° C. The blank (no activity control) was prepared using 445.5 &#956;L of assay buffer and 4.5 &#956;L of DMSO without the 50 &#956;g of total rat brain homogenate.After 10 min of pre-incubation with test compounds, the reaction was started by adding of 50 &#956;L of substrate and incubating for 30 min at 37° C. The substrate was prepared in assay buffer in order to achieve the final concentration of 1 M arachidonoyl ethanolamide (Cayman Chemical N. 90050) and 0.6 nM anandamide [ethanolamine-1-3H] (American Radiolabeled Chemicals Inc, ART. 0626, Conc. 1 mCi/mL, S.A. 60 Ci/mmol). The reaction was stopped by adding cold 1:1 CHCl3/MeOH. After 10 min of centrifugation (845×g at 4° C.) 600 &#956;L of aqueous phase were transferred into scintillation vials previously filled with 3 mL of scintillation fluid (Ultima Gold , Perkin Elmer Inc., Cat. 6013329). Radioactivity was measured by liquid scintillation counting (MicroBeta2 LumiJET Perkin Elmer Inc.).
8711	2	In Vitro Human FAAH Fluorescent Assay	Human recombinant FAAH was obtained from a HEK-293 cell line stably overexpressing human FAAH-1 enzyme. Cells were grown in Dulbecco&#39;s Modified Eagle Medium (DMEM) medium containing 10% FBS, 1% pen/strep, 1% glutamine and 500 &#956;g/mL G418. To obtain membrane preparation cells were scraped off with cold PBS and collected by centrifugation (500×g, 10 min, 4° C.); the cell pellet was re-suspended in 20 mM Tris-HCl pH 7.4, 0.32M sucrose, disrupted by sonication (10 pulses, 5 times) and centrifuged (800×g, 15 min, 4° C.); the collected supernatant was centrifuged at 105,000×g for 1 h at 4° C. and the pellet was re-suspended in PBS.The fluorescent assay to measure FAAH activity was performed in 96 wells black plates: 2.5 &#956;g of human FAAH-1 membrane preparation were pre-incubated for 50 min at 37° C., in 180 L of assay buffer (50 mM TrisHCl pH 7.4, 0.05% Fatty acid-free-BSA) with 10 &#956;L of inhibitor (at appropriate concentration in DMSO) or 10 &#956;L DMSO to measure FAAH total activity. The background (no activity) samples were prepared using 180 &#956;L of assay buffer without human FAAH-1 and 10 &#956;L of DMSO. The reaction was then started by the addition of 10 &#956;L of a 40 M substrate solution (, N. 10005098, Cayman Chemical) dissolved in ethanol, and used at a final concentration of 2 &#956;M. The reaction was carried out for 30 min at 37° C. and fluorescence was measured with a Tecan Infinite M200 nanoquant plate reader (excitation wavelength 350 nm/emission wavelength 460 nm).Concentrations causing half-maximal inhibition of FAAH, IC50 values, were determined by non-linear regression analysis of the Log [concentration]/response curves generated with mean replicate values using a four parameter Hill equation curve fitting with GraphPad Prism 5 (GraphPad Software Inc., CA USA).
8712	1	TBD	TBD
8712	2	TBD	TBD
8712	3	TBD	TBD
8712	4	TBD	TBD
13222	1	Inhibitory Activities of the Compounds on JAK1, JAK2, JAK3 and Tyk2 (IC50)	A compound (powder) was dissolved in 100% DMSO to prepare a 10 mM storage solution. The compound had an initial test concentration of 10,000 nM or 1000 nM, was 3-fold or 4-fold serially diluted to obtain 10 concentrations. Detection in duplicate. Baricitinib (Selleckchem, Cat. S2851) was used as positive control. The serially diluted compound was mixed with JAK1/JAK2/JAK3/Tyk2 kinase (Cama, Cat. 08-144/08-045/08-046/08-147) with final concentration of 5 nM/0.125 nM/0.5 nM/2.5 nM in a Optiplate-384F plate and incubated at room temperature for 10 minutes. After that, ATP with final concentration of 1 mM and 3 μM Kinase Substrate 30 (GL Biochem, Cat. 117885) were added and mixed well. The reaction was carried out at room temperature for 20 min. Stop test solution was added to stop the reaction and the conversion rate was read by Caliper EZ Reader II.
13223	1	Enzymatic Assay	The IC50 is the concentration of an inhibitor where the measured enzyme activity is reduced by half. In the case of USP7 deubiquitinase, the IC50 of an USP7 inhibitor is the molar concentration of the compound that inhibits 50% of the activity observed in a USP7-mediated-ubiquitin-rhodamine cleavage assay. For the inhibitors disclosed herein, their potency was measured using the following method.A 45 μl reaction volume containing full-length USP7 (0.5 nM) in 50 mM HEPES pH 7.5, 150 mM NaCl, 1 mM DTT, 1 mg/ml BSA and 0.05% Tween20 was assembled in wells of 96 well half area black flat bottom plates. Test compounds were first dissolved to 25 mM stocks in DMSO and subsequently introduced to enzyme 15 min after USP7 incubation with DTT at room temperature. The enzymatic reaction was started by adding 0.5 μM Ubiquitin-Rhodamine 110 (final concentration) and allowed to proceed for 45 min at 37° C., 250 RPM shaking before Rhodamine fluorescence (485 nm excitation/520 nm emission) was measured using Tecan Spark M10 plate reader. The IC50 values were determined by data fitting to variable slope model four-parameter dose-response curve using GraphPad 7.05.
13224	1	Competitive Binding Assay	The inhibitory activity of compounds is determined in competitive binding assays. This spectrophotometric assay measures the binding of biotinylated human Gal-3 (hGal-3) or human Gal-1 (hGal-1), respectively, to a microplate-adsorbed glycoprotein, asialofetuin (ASF).Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 μL/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 μL of compound working dilutions are added and mixed.Plates are incubated for 3 hours at 4° C., then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 μL/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 μL/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
8713	1	General RORgamma Gal4 Reporter Assay	Inverse agonist activity of potential ligands to ROR&#947; was measured by inhibition of luminescence in a Gal4-luciferase reporter assay in Jurkat cells.Jurkat cells stably over-expressing the ROR&#947; receptor, Jurkat pEx/Gal/hROR&#947; CLBD/HYG pG5luc/blast, were plated at a concentration of 10,000 cells/well in a 384-well solid white cell culture plate (Perkin Elmer #6007899) in assay buffer RPMI 1640 (Gibco 11875-085 1L) containing 0.1% BSA, 100×HEPES (Gibco 15360-080), 100 mM sodium pyruvate (Gibco 11360-040), 50 mg/mL Hygromycin B (Invitrogen 10687-010) and 10 mg/mL blasticidin (Invitrogen R210-01). 100 nL of test compound in a 3-fold serial dilution, with final concentrations ranging from 40 &#956;M to 0.67 nM, were added to the cells which were then incubated overnight.The following day, cells were lysed with 10 &#956;L of Steady-Glo Luciferase Assay System (Promega Cat. No. EZ550), and analyzed immediately. IC50 values were determined. The IC50 value is defined as the concentration of test compound needed to reduce luciferase activity by 50% and is calculated using the four parameter logistic equation to fit the normalized data.
8714	1	IL-6 Production Inhibitory Action Evaluation Test	1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturing overnight, medium the medium was removed and each 80 &#956;L/well of 10% FBS-DMEM/Ham&#39;s F12 medium was added.3) Test compound solution was added with each 10 &#956;L/well.4) LPS solution was added with each 10 &#956;L/well.5) The sample to which 1% dimethylsulfoxide-containing 10% FBS-DMEM/Ham&#39;s F12 medium was added with each 10 &#956;L/well in place of each test compound solution, and 10% FBS-DMEM/Ham&#39;s F12 medium was added in place of the LPS solution was made a negative control.6) The sample in which 1% dimethylsulfoxide-containing 10% FBS-DMEM/Ham&#39;s F12 medium was added with each 10 &#956;L/well in place of each test compound solution was made a positive control.7) After completion of 4 hours cultivation, the supernatant was recovered and the amount of IL-6 released in the supernatant was measured by using an HTRF human IL-6 Kit.8) The IL-6 production inhibitory ratio was calculated according to the following calculation formula.(Calculation of IL-6 Production Inhibitory Ratio)The IL-6 production inhibitory ratio (%) was calculated by the following formula.IL-6 production inhibitory ratio (%)=100×{1&#8722;(IL-6 produced amount of each test compound solution&#8722;average value of IL-6 produced amount of negative control group)/(average value of IL-6 produced amount of positive control group&#8722;average value of IL-6 produced amount of negative control group)}(%)Further, the IL-6 production inhibitory ratio (Efficacy (% DEX)) when the DEX treated group was made 100 was calculated.Efficacy (% DEX)=100×{(average value of IL-6 production inhibitory ratio of each test compound solution)/(average value of IL-6 production inhibitory ratio of DEX treated group)}(%)In addition, IC50 was calculated according to a conventional method. IDBS XLfit4 was used for the calculation.
8715	1	TaK1-TaB1 Inhibitor Assays	The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stability as indicated by the sub 90% purity detected by UPLC following prep HPLC purification. The only synthesized analogue that was found to be relatively active was difluoro (5Z)-7-oxozeaenol 5.
8716	1	Omnia Assay Protocol for Potency Assessment Against EGFR (WT) and EGFR (T790M/L858R) Active Enzymes	Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log [Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
8717	1	FLIPR	HEK-G&#945;16 cells stably expressing the human FPR2 receptor was utilized. Cells were plated into 384-well poly-D-lysine coated plates at a density of 18,000 cells per well one day prior to use. The growth media was DMEM medium supplemented with 10% fetal bovine serum (FBS), 1% antibiotic-antimycotic, 50 &#956;g/ml hygromycin, and 400 &#956;g/ml geneticin. On the day of the experiment, the cells were washed twice with Hank&#39;s Balanced Salt Solution supplemented with 20 mM HEPES (HBSS/hepes buffer). The cells were then dye loaded with 2 &#956;M Fluo-4 diluted in the HBSS/Hepes buffer and incubated at 37° C. for 40 minutes. Extracellular dye was removed by washing the cell plates four times prior to placing the plates in the FLIPR (Fluorometric Imaging Plate Reader, Molecular Devices). Ligands were diluted in HBSS/Hepes buffer and prepared in 384-well microplates. Data for Ca+2 responses were obtained in relative fluorescence units.
8718	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
8719	1	IRAK4 Kinase Assay	For the assay, 11 different concentrations in the range from 20 &#956;M to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of IRAK4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 &#956;M activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 &#956;l of assay volume: 1 mM) and peptide substrate (0.83 &#956;M=final concentration in 5 &#956;l assay volume: 0.5 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the IRAK4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 &#956;l of a solution of TR-FRET detection reagents [0.1 &#956;M streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, STK Antibody , catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).The resulting mixture was incubated at 22° C. for 1 h to allow formation of a complex of the biotinylated phosphorylated substrate and the detection reagents. The amount of the phosphorylated substrate was then evaluated by measuring the resonance energy transfer from europium chelate-labelled anti-mouse-IgG antibody to streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm were measured after excitation at 350 nm in a TR-FRET measuring instrument, for example a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and 622 nm was taken as a measure of the amount of phosphorylated substrate. The data were normalized (enzyme reaction without test substance=0% inhibition; all other assay components but no enzyme=100% inhibition). Typically, the test substances were tested on the same microtitre plates at 11 different concentrations in the range from 20 &#956;M to 0.073 nM (20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 11 nM, 3.1 nM, 0.89 nM, 0.25 nM and 0.073 nM). The dilution series were prepared prior to the assay (2 mM to 7.3 nM in 100% DMSO) by serial dilutions. The IC50 values were calculated using a 4-parameter fit.
8720	1	FLIPR Ca2+ Flux Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat or human orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. The dye loading solution is then aspirated and cells are washed 3 times with 100 &#956;l assay buffer. 30 &#956;l of that same buffer is left in each well. Within the Fluorescent Imaging Plate Reader (FLIPR, Molecular Devices), test compounds are added to the plate in a volume of 25 &#956;l, incubated for 5 min and finally 25 &#956;l of agonist is added. Fluorescence is measured for each well at 1 second intervals for 5 minutes and the height of each fluorescence peak is compared to the height of the fluorescence peak induced by 70 pM Ala-6,12 orexin-A with buffer in place of antagonist. For each antagonist, IC50 value (the concentration of compound needed to inhibit 50% of the agonist response) is determined. Alternatively, compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determined in membranes prepared from CHO cells expressing either the OX1 or OX2 receptor. The intrinsic orexin receptor antagonist activity of a compound which may be used in the present invention may be determined by these assays.
8721	1	Wild Type EGFR and Mutant EGFR Kinase Inhibition Test	The inhibitory effects of compounds to be tested on double mutant EGFR kinase (EGFR T790M/L858R Kinase) (Invitrogen, PV4879) and wild-type EGFR kinase (EGFR WT) (Invitrogen, PV3872) were measured by z-lyte methods.The working concentration of each component in 10 &#956;l T790M/L858R kinase reaction system was: 25 &#956;M ATP, 0.08 (or 0.1) ng/&#956;l EGFR T790M/L858R kinase, 2 &#956;M Tyr04 substrate (Invitrogen, PV3193, similarly hereinafter). After the compounds (i.e., test compounds) prepared by the above-mentioned examples described herein were added, the concentration of DMSO was 2%.The working concentration of each component in 10 &#956;l EGFR WT kinase reaction system was: 10 &#956;M ATP, 0.8 ng/&#956;l EGFR WT kinase, 2 &#956;M Tyr04 substrate. After the test compounds were added, the concentration of DMSO was 2%.Test Methods:10 mM stock solutions of the test compounds dissolved at room temperature were gradiently diluted by 4% DMSO in water to final concentrations of 10-0.005 &#956;M. To each well were added 2.5 &#956;l of solution of the test compounds and 5 &#956;l mixture of the EGFR T790M/L858R kinase (or EGFR WT kinase) and Tyr04 substrate diluted by reaction buffer, and then 2.5 &#956;l of ATP was added to initiate the reaction. Reaction buffer instead of ATP were added to C1 wells, no drugs were added to C2 wells, and the phosphorylated substrates were added to C3 wells according to the instruction.The reaction was performed on a shaking table at room temperature for 60 min. Afterwards, 5 &#956;l of Development Reagent B (Invitrogen) was added, and reacted on a shaking table at room temperature for 60 min. The plates were read in a VictorX5 Microplate Reader (PerkinElmer), for measuring the absorbance at excitation wavelength of 405 nm, and emission wavelength of 450 nm and 520 nm. (For example, C3520nm represents the reading at 520 nm of C3 well).
8722	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech).
8723	1	mu-Opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for &#956;-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added (50 &#956;l/well), and plates were counted using a Packard Top-Count for 1 min/well. The data were analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting.
8723	2	kappa-Opioid Receptor Binding Assay	Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human &#954; opioid receptor (&#954;) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of &#954; receptor membranes were stored at &#8722;80° C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 &#956;g membrane protein (recombinant &#954; opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 &#956;l binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 &#956;M unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 &#956;l ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. Fifty &#956;l/well scintillation cocktail (Perkin Elmer, Shelton, Conn.) was added and plates were counted in a Packard Top-Count for 1 min/well.
8724	1	In Vitro Binding Assay for DDR1	This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carries a GST-tag that can be recognized by an Eu-labeled anti-GST antibody. A tracer compound binding to the active site is labeled with a dye so that a FRET donor acceptor pair can be formed. Excitation energy absorbed by the Europium complex (350 nm flash light or pulsed laser) is transferred to a suitable fluorescent dye, if it is in close proximity. Compounds binding competitively with the tracer molecule will displace the bound tracer molecules and reduce the FRET signal in a dose dependent manner. Due to the long lifetime of the Eu excited state, the emission of the donor and the acceptor can be measured in time-gated mode such that most of the intrinsic fluorescence contributions have already decayed. This results in high sensitivity, excellent reproducibility and high data quality. This sensitive detection method enables protein concentrations below 20 nM.Protein, tracer and labeled antibody were obtained from commercial sources. The assay was performed in 384 low volume microtiter-plates with a final volume of 15 &#956;l. Dose response curves were generated from 16 compound dilutions in DMSO as solvent compound dilutions, a solution containing protein and labeled antibody, and a solution containing the tracer which is added in the last step. The fluorescence of donor and acceptor were then measured after one hour incubation at room temperature. Every assay run was quality-controlled with dose response curves for two reference compounds.
8725	1	TBD	TBD
8726	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
8726	2	Jak2 Tyrosine Kinase Assay	Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinical trials (see, for example, Pardanani, A., Leukemia, 26:1449-1451 (2012)). Jak2 signaling occurs thru EPO and TPO, which control erythrocyte and platelet proliferation, respectively. Thus, inhibition of Jak2 tyrosine kinase can potentially lead to side-effects in the clinic. Btk inhibitors with improved selectivity over Jak2 tyrosine kinase are desired in order to minimize off target side-effects related to the inhibition of Jak2 tyrosine kinase.The assays were performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM beta-glycerophosphate, 0.015% Brij 35 surfactant and 4 mM DTT). The reaction was initiated by the combination of Jak2 tyrosine kinase with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 minutes and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays is ATP, 30 &#956;M; Jak2 fluorescent peptide, 1.5 &#956;M; Jak2, 1 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations, each in duplicate. IC50 values were derived by non-linear regression analysis.
8727	1	Inhibition of Human DPPI (Cathepsin C)	Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 10 6007270). The substrate Gly-Arg-AMC was from Biotrend (Prod.-No. 808756 Custom peptide).Bovine serum albumin (BSA; Prod. No. A3059) and Dithiothreitol (DTT; Prod. No D0632) were from Sigma. TagZyme buffer was from Riedel-de-Haen (Prod.-No. 04269), NaCl was from Merck (Prod.-No. 1.06404.1000) and morpholinoethane sulfonic acid (MES), was from Serva (Prod.-No. 29834). The DPP1 inhibitor Gly-Phe-DMK was purchased from MP Biomedicals (Prod.-No. 03DK00625). The recombinant human DPPI was purchased from Prozymex. All other materials were of highest grade commercially available.The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4, 150 mM NaCl adjusted to pH 20 6.0 with HClAssay Conditions:The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 &#956;g/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cysteamine aqueous solution (2 mM) and incubating for 5 min at room temperature. Five uL test compound (final concentration 0.1 nM to 100 &#956;M) in aqua bidest 5 (containing 4% DMSO, final DMSO concentration 1%) were mixed with 10 &#956;L of DPPI in MES buffer (final concentration 0.0125 ng/&#956;L) and incubated for 10 min. Then, 5 &#956;L of substrate in MES buffer (final concentration 50 &#956;M) were added. The microtiter plates were then incubated at room temperature for 30 min. Then, the reaction was stopped by adding 10 &#956;L of Gly-Phe-DMK in 10 MES-buffer (final concentration 1 &#956;M). The fluorescence in the wells was determined using a Molecular Devices SpectraMax M5 Fluorescence Reader (Ex 360 nm, Em 460 nm) or an Envision Fluorescence Reader (Ex 355 nm, Em 460 nm).Each assay microtiter plate contained wells with vehicle controls (1% DMSO in bidest+0.075% 15 BSA) as reference for non-inhibited enzyme activity (100% Ctl; high values) and wells with inhibitor (Gly-Phe-DMK, in bidest+1% DMSO+0.075% BSA, final concentration 1 &#956;M) as controls for background fluorescence (0% Ctl; low values).
8728	1	TR-FRET	The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy transfer) assay. In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed in E. coli and purified by affinity chromatography, and biotin-coactivator peptide SRC1-2 (biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-NH2; SEQ ID NO: 1) containing the LXXLL (SEQ ID NO: 2) consensus domain which is responsible for receptor binding. This interaction is detected by addition of Europium labeled-anti-His antibody (Ex. 337 nm, Em. 620 nm, which binds to 6His) and Streptavidin-APC (Ex. 620 nm, Em. 665 nm, which binds to biotin). When receptor and coactivator are bound to each other, upon shining light at 337 nm on the sample, the Europium emits fluorescence that excites APC due to close proximity (FRET) and this signal is measured at 665 nm. Due to the long lasting fluorescence emission of Europium, the non-specific, short-lived fluorescence is time-resolved (TR) from the fluorescence of interest. Inhibitors of the interaction of receptor and coactivator peptide are detected by a decrease in TR-FRET signal.
8729	1	Biochemical Activity Assay	The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 &#956;l of PDHK2 (human, rec, Carna Bioscience, 10 ng/&#956;l-137 nM final concentration) and PDC (isolated from porcine heart, Sigma-Aldrich, 20 mU/ml final concentration) are incubated in the absence or presence of the test compound (10 dilution concentrations) for 30 min at room temperature in kinase buffer (15 mM potassium phosphate buffer, pH 7.0, 60 mM KCl, 1.5 mM DTT, 2.5 mM MgCl2, 0.0125% (w/v) BSA, 0.125% Pluronic F-68). The kinase reaction is started by the addition of 4 &#956;l ATP substrate solution (fc 5 &#956;M in kinase buffer). After 30 min incubation at 37° C. 40 &#956;l of PDC reaction solution (100 mM Tris/HCl, pH 7.8, 0.5 mM EDTA, 1 mM MgCl2, 50 mM NaF, 0.25 mM Coenzyme A, 5 mM pyruvate, 1 mM NAD, 5 mM DTT, 1 mM thiamine pyrophosphate) is added. The first fluorescence measurement is performed on a Perkin Elmer Envision (Exc 340 nm, Em 450 nm). The reaction is incubated for 45 min at room temperature. Afterwards a second fluorescence measurement is performed and the PDC activity is calculated by the difference between both measurements. As full value for the PDHK2 assay the inhibitor-free PDHK2 reaction is used. 
8729	2	Isothermal Titration Calorimetry	ITC measurements were performed with a VP-ITC micro calorimeter (Microcal, LLC/GE Healthcare Bio-Sciences AB, Uppsala, Sweden). In general titrations were performed by titrating the protein (50 &#956;M) to the test compound (5 &#956;M) in 12 &#956;l injections. All binding experiments were carried out at 30° C. In general the test compounds were diluted form DMSO stock solutions into the measurement buffer with a maximum final concentration of 1% DMSO. The measurement buffer was 20 mM HEPES, 135 mM KCl, 1 mM TCEP, 2 mM MgCl2, 15 mM NaH2PO4, pH 7.5. The human PDHK2 (12-407) was produced in E. coli as his-tagged protein and purified by affinity chromatography. The tag was removed by side specific proteolysis. Before titration the protein buffer was changed to the measurement buffer containing the same DMSO concentration as the test compound dilution. ITC data analysis was performed using Origin 7 calorimetry software from the same supplier. For most measurements a binding model of one binding site was assumed. 
8730	1	Enzyme Inhibition	The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial dilutions of HDAC inhibitors were prepared in HDAC assay buffer (25 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, pH 8) in 96-well assay plates (Fisher scientific, #07-200-309) and were pre-incubated for 2 hours at room temperature in the presence of 125 &#956;g/ml BSA and purified HDAC1 (BPS Bioscience, San Diego, Calif., #50051), HDAC2 (BPS Bioscience, #50053), or HDAC3/NcoR2 (BPS Bioscience, #50003) at concentrations of 1.25, 1.32, and 0.167 &#956;g/mL, respectively. Following pre-incubation, Fluor-de-Ly substrate (Enzo Life Sciences, Plymouth Meeting, Pa., BML-KI104-0050) was added to a final concentration of 10 &#956;M and plates were further incubated for 30 minutes at room temperature. The enzymatic reaction was stopped by addition of Trichostatin A (Sigma-Aldrich, St Louis, Mo., #T8552, final concentration: 100 nM) and trypsin (MP Biomedicals, Solon, Ohio, #02101179) was added to reach a final concentration of 100 &#956;g/mL. After a 15 minute incubation at room temperature, fluorescence was recorded using a Spectramax M2 fluorometer (Molecular Devices, Sunnyvale, Calif.) with excitation at 365 nm and emission at 460 nm. 
8731	1	Kinase Assay	In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nl of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;L of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 ng/mL were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;L 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;L final volume) was incubated at 22° C. during 60 min., and the reaction was stopped by the addition of 5 &#956;L of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-002] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, alternatively a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]). The stopped reaction mixture was further incubated 1 h at 22° C. in order to allow the formation of complexes between peptides and detection reagents.
8732	1	Kinase Assay	In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were tested in duplicate within the same microtiter plate. To this end, 100-fold concentrated compound solutions (in DMSO) were previously prepared by serial dilution (1:3.4) of 2 mM stocks in a clear low volume 384-well source microtiter plate (Greiner Bio-One, Frickenhausen, Germany), from which 50 nl of compounds were transferred into a black low volume test microtiter plate from the same supplier. Subsequently, 2 &#956;l of Bub1 (the final concentration of Bub1 was adjusted depending on the activity of the enzyme lot in order to be within the linear dynamic range of the assay: typically 200 ng/ml were used) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added to the compounds in the test plate and the mixture was incubated for 15 min at 22° C. to allow pre-equilibration of the putative enzyme-inhibitor complexes before the start of the kinase reaction, which was initiated by the addition of 3 &#956;l 1.67-fold concentrated solution (in assay buffer) of adenosine-tri-phosphate (ATP, 10 &#956;M final concentration) and peptide substrate (1 &#956;M final concentration). The resulting mixture (5 &#956;l final volume) was incubated at 22° C. during 60 min., and the reaction was stopped by the addition of 5 &#956;l of an aqueous EDTA-solution (50 mM EDTA, in 100 mM HEPES pH 7.5 and 0.2% (w/v) bovine serum albumin) which also contained the TR-FRET detection reagents (0.2 &#956;M streptavidin-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-002] and 0.4 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, alternatively a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]). 
8734	1	In Vitro Assay	The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incubated with different concentrations of test compounds in denaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol) at room temperature for 30 min. Luciferase protein was added to denaturation mix and incubated at 50° C. for 8 min. The final concentration of HSP90 and luciferase in denaturation mixture were 0.375 &#956;M and 0.125 &#956;M respectively. A 5 &#956;l sample of the denatured mix was diluted into 25 &#956;l of renaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol, 0.5 mM ATP, 2 mM DTT, 5 mM KCl, 0.3 &#956;M HSP70 and 0.15 &#956;M HSP40). The renaturation reaction was incubated at room temperature for 150 min, followed by dilution of 10 &#956;l of the renatured sample into 90 &#956;l of luciferin reagent (Luclite, PerkinElmer Life Science). The mixture was incubated at dark for 5 min before reading the luminescence signal on a TopCount plate reader (PerkinElmer Life Science).
8734	2	Competition Binding (Fluorescence Polarization) Assay	HSP90: A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis for the fluorescence polarization assay. A free and fast-tumbling FITC labeled GM emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When GM is bound to HSP90, the complex tumble slower and the emitted light is polarized, resulting in a higher mP value. This competition binding assay was performed in 96-well plate and with each assay contained 10 and 50 nM of labeled GM and purified HSP90 protein (Assay Design, SPP-776F) respectively. The assay buffer contained 20 mM HEPES (pH 7.3), 50 mM KCl, 1 mM DTT, 50 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40 with 0.1 mg/ml bovine gamma-globulin. Compounds are diluted in DMSO and added to the final assay before labeled GM with concentration range from 20 uM to 2 nM. mP value was determined by BioTek Synergy II with background subtraction after 24 hours of incubation at 4° C.
8735	1	In vitro kinase assay	JAK1: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK1 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 &#956;M ATP and 1.2 &#956;M substrate solution. The appropriate amount of JAK1 kinase (Invitrogen, Catalog Number: pv4774) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)] 17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of an aqueous solution of a test compound (5 &#956;L of pure water only were added to the control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody was added [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell Signaling Technology, Catalog Number: 5465)], and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added, and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm.
8735	2	In vitro kinase assay	JAK2: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required in the experiment. JAK2 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 &#956;M ATP and 1.2 &#956;M substrate solution. The appropriate amount of JAK2 kinase (Invitrogen, Catalog Number: pv4210) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Catalog Number: AAAND-0005)] 17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of aqueous solution of a test compound (5 &#956;L of pure water only were added to control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm. IC50 values of test compounds were calculated from the data of the test compounds for inhibiting the activity of JAK2 kinase at different concentrations.
8735	3	In vitro kinase assay	JAK3: In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK3 kinase. The test compounds were dissolved in dimethyl sulfoxide and diluted with water to a serial concentration gradient as required by the experiment. JAK3 substrates (Cell Signaling Technology, Catalog Number: 1305s) and ATP (2 mM) solution were diluted with water to obtain a final concentration of 20 &#956;M ATP and 1.2 &#956;M substrate solution. The appropriate amount of JAK3 kinase (Invitrogen, Catalog Number: pv3855) was mixed with 4× buffer (prepared by user, and comprising 50 mM HEPES, pH 7.3, 125 mM NaCl, 24 mM MgCl2, 1.25 mM DTT) to a final concentration of 8 ng/&#956;L. To each well of a microplate [DELFIA Streptavidin-coated clear plate (Perkin Elmer, Item: AAAND-0005)] 17.5 &#956;L of ATP/substrate mixture, 5 &#956;L of aqueous solution of a test compound (&#956;L of pure water only were added to the control and blank), and 7.5 &#956;L of the kinase solution prepared above (4× buffer only was added to the control) were added. Each well was mixed sufficiently, then incubated at room temperature (27° C.) for 50 minutes, washed with wash buffer, and dried three times, then HRP conjugated antibody [Phospho-Tyrosine Mouse mAb (P-Tyr-100) (HRP Conjugate, Cell signaling Technology, Catalog Number: 5465)] was added, and incubated for 1 hour. The microplate was washed with wash buffer and dried three times, and then TMB (Sigma, Catalog Number: T4444) was added and incubated for 5 to 15 minutes to allow for color change. Stop solution (1 N sulfuric acid solution) was added to stop the reaction. Absorbance was measured on a Novostar microplate reader at a wavelength of 450 nm. IC50 values of test compounds were calculated from the data of the test compounds for inhibiting the activity of JAK3 kinase at different concentrations.
8736	1	Binding Assay	The binding buffer was composed of 50 mM triethanolamine, pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 &#956;M DETA/NO and 400 &#956;M GTP. Assays were conducted in 96-well plates in a total volume of 200 &#956;L. Recombinant human sGC protein (40 ng) was incubated with 1.6 nM [3H] Ex-77B for 24 hours at 37° C. in the presence and absence of various concentrations of sGC testing compounds delivered as DMSO solutions to give a total of 1% organic solvent content. Non-specific binding was defined by competition with 1 &#956;M of Ex-77B. After the incubation period, the binding mixtures were loaded onto the gel-filtration plate (ThermoFischer Cat. No. 89808) pre-equilibrated with binding buffer and spun at 1000×g for 3 min at 4° C. on a Bench top centrifuge. The collected eluates in White Frame Clear Well Isoplates (Perkin Elmer Cat #6005040) received 100 &#956;l of UltimaGold scintillation cocktail. The sealed plates were shaken vigorously and span, and counted after 6 hours with a Wallac Microbeta TriLux 1450 LSC & Luminescence Counter (Perkin Elmer). Data from competition experiments were analyzed to determine Ki values using one site fit Ki equation.
8737	1	Binding Assay	The binding properties of the test compounds on adenosine receptors were determined in binding studies with radioligands. For this purpose, membrane preparations of the human adenosine receptor subtypes were produced from cell lines having recombinant receptor expression (CHO cells for the A1 receptor, HEK293 cells for the A2a, A2b and A3 receptors). The following radioligands were used in the experiments: [3H]-DPCPX for the A1 receptor, [3H]-CGS 21680 for the A2a receptor, [3H]-CPX for the A2b receptor and [125I]-AB-MECA for the A3 receptor. The test substances were each tested in 8 different concentrations and 2 repeat tests per concentration. The displacement of the particular radioligand by the test compound was expressed as percentage inhibition of the specific binding of the controls. 
8738	1	Enzyme Assay	Assay A1: The kinase reaction was conducted in 384-well REMP plate from Thermo Fisher Scientific in a final volume of 40 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K assays were carried out at room temperature in 50 mM HEPES, pH 7.4, 5 mM MgCl2, 50 mM NaCl, 5 mM DTT and CHAPS 0.04%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 1.2 nM PI3K&#948; were incubated for 20 min. 10 &#956;L of reaction mixture was then transferred to 5 &#956;L 50 nM biotinylated I(1,3,4,5)P4 in quench buffer: 50 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 5 mM DTT, 0.1% Tween-20, followed with the addition of 10 &#956;L AlphaScreen donor and acceptor beads suspended in quench buffer containing 25 nM PI(3,4,5)P3 detector protein. The final concentration of both donor and acceptor beads is 20 mg/ml. After plate sealing, the plate was incubated in a dark location at room temperature for 2 hours. The activity of the product was determined on Fusion-alpha microplate reader (Perkin-Elmer). 
8738	2	Enzyme Assay	Assay A2: The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture was prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions were initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM respectively. Reactions were incubated for 180 min and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution was then transferred to 96-well Millipore MultiScreen IP 0.45 m PVDF filter plate (The filter plate was prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate was aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate was air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) was then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. 
8738	3	Scintillation Proximity Assay	Assay A3: The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P]ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
8739	1	PRMT5 assay	Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired assay concentration. Following dilution, 1 ul was added to an empty 96-well microtiter plate. PRMT5/MEP50 protein complex was combined with H4(1-21) peptide (SGRGKGGKGLGKGGAKRHRKV) in PRMT5 assay buffer (50 mM Tris pH 8.5, 50 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 1 mM TCEP) and 44 ul was added to the microtiter plate containing compound. S-Adenosyl-L-methionine (SAM) was prepared by combining 3H labelled SAM with unlabelled SAM in PRMT5 assay buffer such that the final SAM concentration was 10 uM and the specific activity was 0.2 uCi/ul. The reaction was initiated by adding 5 ul of SAM stock to the microtiter plate. The final reaction conditions were 10 nM PRMT5/MEP50 complex, 200 nM peptide and 1 uM SAM. Following a 25 minute incubation at room temperature, the reaction was stopped with the addition of 100 uL of 20% TCA. The 3H-peptide product was captured using a 96-well filter plate (MSIPN4B, Millipore) and washed 5 times with PBS buffer. Scintillation fluid (100 ul) was added to the dried filter plate and counted in a liquid scintillation counter. IC50 values were determined by fitting the data to the standard 4-parameter dose response equation using Pfizer proprietary software.
8740	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nm 
3055	1	Biological Assay	SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 46 (2006) 321-331). In addition, secondary- and selectivity assays were performed using SSAO prepared from various tissues or purified rat recombinant SSAO. The enzyme activity was assayed with benzylamine as substrate by measuring either benzaldehyde production, using 14C-labeled substrate, or by utilizing the production of hydrogen peroxide in a horseradish peroxidase (HRP) coupled reaction. Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration&#8804;2%.
3055	2	HERG Assay 	Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophysiology. 8 Point concentration-response curves were generated on two occasions using 3-fold serial dilutions from the maximum assay concentration (11 uM). Electrophysiological recordings were made from a Chinese Hamster Lung cell line stably expressing the full length hERG channel. Single cell ion currents were measured in the perforated patch clamp configuration (100 ug/mL amphoterocin) at room temperature using an IonWorks Quattro instrument. The internal solution contained 140 mM KCl, 1 mM MgCl2, 1 mM EGTA and 20 mM HEPES and was buffered to pH 7.3. The external solution contained 138 mM NaCl, 2.7 mM KCl, 0.9 mM CaCl2, 0.5 mM MgCl2, 8 mM Na2HPO4 and 1.5 mM KH2PO4, and was buffered to pH 7.3. Cells were clamped at a holding potential of 70 mV for 30 s and then stepped to +40 mV for 1 s. This was followed by a hyperpolarising step of 1 s to 30 mV to evoke the hERG tail current. This sequence was repeated 5 times at a frequency of 0.25 Hz. Currents were measured from the tail step at the 5th pulse, and referenced to the holding current. Compounds were incubated for 6-7 min prior to a second measurement of the hERG signal using an identical pulse train.
8733	1	Biological Assay	All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 46 (2006) 321-331). In addition, secondary- and selectivity assays were performed using SSAO prepared from various tissues or purified rat recombinant SSAO. The enzyme activity was assayed with benzylamine as substrate by measuring either benzaldehyde production, using 14C-labeled substrate, or by utilizing the production of hydrogen peroxide in a horseradish peroxidase (HRP) coupled reaction. Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration &#8804;2%.
8733	2	Inhibition Assay 	Electrophysiological recordings were made from a Chinese Hamster Lung cell line stably expressing the full length hERG channel. Single cell ion currents were measured in the perforated patch clamp configuration (100 ug/mL amphoterocin) at room temperature using an IonWorks Quattro instrument. The internal solution contained 140 mM KCl, 1 mM MgCl2, 1 mM EGTA and 20 mM HEPES and was buffered to pH 7.3. The external solution contained 138 mM NaCl, 2.7 mM KCl, 0.9 mM CaCl2, 0.5 mM MgCl2, 8 mM Na2HPO4 and 1.5 mM KH2PO4, and was buffered to pH 7.3. Cells were clamped at a holding potential of 70 mV for 30 s and then stepped to +40 mV for 1 s. This was followed by a hyperpolarising step of 1 s to 30 mV to evoke the hERG tail current. This sequence was repeated 5 times at a frequency of 0.25 Hz. Currents were measured from the tail step at the 5th pulse, and referenced to the holding current. Compounds were incubated for 6-7 min prior to a second measurement of the hERG signal using an identical pulse train.
8741	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve. 
8741	2	HTRF Kinease-TK Assay	The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
8742	1	Radioligand Binding Assay	Dopamine, D2s: Radioligand: [3H]Spiperone (20-60 Ci/mmol) or [3H]-7-hydroxy DPAT, 1.0 nMControl Compound: Haloperidol or ChlorpromazineIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 5 mM MgCl2, 1 mM EDTA for 60 minutes at 25 C. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned dopamine D2 short binding site 
8742	2	Radioligand Binding Assay	Serotonin, 5HT1A: Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)Control Compound: 8-OH-DPATIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 10 mM MgSO4, 0.5 mM EDTA and 0.1% Ascorbic acid at room temperature for 1 hour. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned serotonin 5HT1A binding site
8743	1	Fluorescence Polarization-Based Protein-Protein Interaction Inhibition	The instrument used in the FP experiment was the SpectraMax Multi-Mode Microplate Reader (Molecular Devices), and the excitation and emission wavelengths of the instrument were selected based on the corresponding fluorophore. The experiment was performed using a Corning 3676 384 well plate. The reaction system in the plate was 40 uL containing 10 uL of 4 nM FITC-9mer Nrf2 polypeptide fluorescent probe, 10 uL of 12 nM Keap1 Kelch domain protein solution and 20 uL of a corresponding concentration of an inhibitor. The positive control was 20 uL of 100 nM CPUY192002+10 uL probe+10 uL protein solution, the negative control was 10 uL probe+10 uL protein solution+20 uL HEPES buffer, and the blank control was 10 uL probe+30 uL HEPES buffer. Before the test, the system was mixed well and incubated for 30 minutes at room temperature. In this experiment, the probe fluorophore was fluorescein having an excitation wavelength of 485 nm and an emission wavelength of 535 nm. In this study, the fluorescence intensities in horizontal and vertical directions (F and F) were used to calculate the millipolarization value (mP), so as to reflect the changes of the polarized light.
8744	1	Biochemical Assay	The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity.
8745	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
8746	1	Biochemical Assay	The assay employs a short peptide substrate labeled with the single fluorophore PT14 as a fluorescence lifetime probe sensitive to the cleavage state of the substrate (PT14: 6-(9-oxo-9H-acridin-10-yl)-hexanoate, AssayMetrics, UK). The peptide substrate has the following sequence: Ac-Trp-Leu-Arg-Ser-Arg{circumflex over (&#8195;)}Cys(PT14)-NH2 (Product number BS-9117, Biosyntan, Germany, N-terminus to C-terminus from left to right in three letter code, Ac: acetyl group, Cys(PT14): cysteine residue with the fluorophore PT14 conjugated to the cysteine sulfhydryl group via a maleimide group; C-terminus of the peptide is amidated; within the substrate sequence written above, {circumflex over (&#8195;)} indicates the scissile bond). The assay buffer consists of 200 mM Tris/HCl at pH 7.5, 0.8 M Na citrate, 100 &#956;M EGTA, 100 &#956;M DTT and 0.05% (w/v) CHAPS. The kinetic characterization of the enzymatic reaction led to the determination of a Michaelis Constant (KM) of 40 &#956;M and a kcat value of 34 s&#8722;1. The assay was established for the 384-well plate format using black microtiter round well plates (Product number 95040020, Thermo Electron Oy, Finland). Test compounds were dissolved in 100% (v/v) DMSO or a mixture containing 90% (v/v) DMSO and 10% (v/v) H2O at a stock concentration of 100 mM. Serial dilutions of test compounds were prepared using either 100% (v/v) DMSO or a mixture containing 90% (v/v) DMSO and 10% (v/v) H2O.
8747	1	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech).
8748	1	Enzymatic Assay	Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is dispensed to a 384-well Greiner Lumitrac 200 assay plate using an Echo Liquid Handler. To each well of the plate is added 20 uL of enzyme in assay buffer or assay buffer alone. Assay buffer consists of 50 mM sodium phosphate, pH 7.0, 50 mM magnesium chloride, 50 mM sodium chloride, and 0.01% (w/v) bovine serum albumin. When present, the R132H mutant IDH1 enzyme is at a working concentration of 1.875 nM (final concentration in assay of 1.5 nM). The assay plate is allowed to incubate for 30 minutes at room temperature and 5 uL of 5× substrate mixture (2.5 uM nicotinamide adenine dinucleotide phosphate, 100 uM adenosine diphosphate, 7.5 mM glyceraldehyde-3-phosphate, 7.5 ug/mL of spinach glyceraldehyde-3-phosphate dehydrogenase, 25 nM phosphoglycerate kinase, and 5 mM alpha-ketoglutarate in assay buffer) is added to all wells. The reaction plate is incubated for 60 minutes followed by addition of 25 uL of Promega Kinase-GLO reagent to all wells and 10-minute incubation.Luminescence is measured using a PerkinElmer Envision plate reader. The percent activity of each dilution is determined as the ratio of background corrected signal to the background corrected signal of wells receiving only DMSO. IC50 values are determined by fitting percent activity data to a four-parameter logistic dose response equation. 
8749	1	Radio-Ligand RORgamma Binding Assay (Assay 1)	Compounds described herein were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves. Inhibitory constants (Ki) were calculated using the following equation.
8750	1	TgCDPK1 Enzymatic Inhibition Assay	Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was determined with a coupled luciferase assay (Kinaseglo ). 2.1 nM TgCDPK1 and 20 &#956;M BioSyntide-2 (American Peptide Company, Inc. Sunnyvale, Calif.)) were incubated in 25 &#956;L of buffer containing 1 mM EGTA (pH 7.2), 10 mM MgCl2, 20 mM HEPES, pH 7.5 (KOH), 0.1% BSA, and 2 mM CaCl2. The reaction was initiated with the addition of ATP at a 10 &#956;M final concentration. After incubating at 30° C. for 90 min., changes in ATP concentration were determined by adding Kinaseglo luciferase reagent (Promega, Madison, Wis.) and measuring luminescence with a MicroBeta2 multi-label plate reader (Perkin Elmer, Waltham, Mass.). Results were converted to percent inhibition, and IC50 values were calculated using nonlinear regression analysis in GraphPad Prism.
8751	1	FRET-suppression assay	All compounds were evaluated by FRET-suppression assay in side-by-side experiments using 21b as a control inhibitor (Table 2). Protection of the aldehyde group in 21b as the 1,3-dioxane or dithiane acetal (24 and 25) resulted in weaker IRE-1 inhibitory activity. Alkylation of the phenol oxygen (compounds 26, 27, and 35) resulted in a complete loss of potency below 20 mM. The N-acyl derivative 29 exhibited an IC50 value of 312 nM while N-alkyl analogs 30-33 were found to be slightly more potent. N-benzyl analog 31 was almost 3-fold more active than the corresponding fluorinated derivative 32. Guanidinylation to give 34 resulted in a notable increase in potency (IC50=47 nM) relative to the parent compound, though solubility decreased. Ketone 36, vinyl sulfone 38, and Weinreb amide 42 showed no significant IRE-1 RNase inhibitory activity below 20 mM. However, electrophilic compounds 37, 40, and 41 displayed moderate potency (1-5 mM) in vitro. Also of note, 1,3-dioxane derivative 24 exhibited an in vitro IC50 of 3.1 mM, whereas the corresponding 1,3-dithiane analog 25 displayed more than 5-fold weaker activity. To confirm that the enhanced inhibitory activity of 24 is not simply a function of a labile aldehyde masking group, stability studies in assay buffer were carried out; no significant decomposition of the 1,3-dioxane moiety over 12 hours was observed.
8752	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at room temperature to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at room temperature for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at room temperature. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at room temperature for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
8753	1	Btk Kinase Assay	The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to the protocols provided in the assay kit. In brief, the enzyme reaction was carried out in the kinase reaction buffer containing Btk (2 ng/&#956;l), ATP (1.2 &#956;M), poly GT peptide (0.3 &#956;M), DTT (40 nM), MnCl2 (1.4 mM), and 1×kinase buffer (included in the kit) in the presence or absence of the tested articles at various concentrations in 384-well &#956;late at room temperature (22±1° C.) for 60 minutes. The final reaction volume for each reaction was 10 &#956;l. Then, 4 &#956;l of ADP-Glo reagent (included in the kit) was added into the reaction and the &#956;late was further incubated for another 40 minutes to terminate the reaction and deplete the remaining ATP. Finally, 10 &#956;l of the kinase detection reagent was added into each reaction to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured by a &#956;late-reading luminometer (Victor X5 2030 multilabel reader, PerkinElmer). IC50 value was calculated using appropriate programs in GraphPad Prism by plotting the logarithm of the concentration versus percent inhibition as compared with a vehicle (DMSO) control.
8754	1	Plasma Kallikrein Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader (Winooski, Vt., USA). Data were analyzed using SigmaPlot software (Systat Software, Inc., San Jose, Calif., USA) (Four Parameter Logistic Curve). Ki values for the inhibitors were determined using the Cheng-Prusoff equation (Biochem. Pharmacol. 1973, 22, 3099).
8755	1	HER2-Phosphorylating Activity	For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, ProfilerPro Peptide 22 from PerkinElmer Inc. was used as a substrate on the basis of the report (PLoS One, 6 (7), e21487, 2011) on HER2 kinase reaction using, as a substrate, a peptide having the same sequence (5-FAM-EEPLYWSFPAKKK-CONH2) as that of ProfilerPro Peptide 22. The purified recombinant human HER2 protein used in the test was purchased from Carna Biosciences, Inc. Also, staurosporine (Eur. J. Biochem., 234, p. 317-322, 1995; and Nat. Biotechnol., 26 (1), p. 127-132, 2008), which is a multikinase inhibitor having Her2 inhibitory activity, was purchased from Enzo Life Sciences, Inc. (item No.: ALX-380-014) and used as a positive control in this test.For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dimethyl sulfoxide (DMSO). Next, the HER2 protein, the substrate peptide (final concentration: 0.5 uM), manganese chloride (final concentration: 10 mM), ATP (final concentration: 6 uM), and the solution of the compound of the present invention in DMSO (final concentration of DMSO: 5%) were added into a buffer solution for kinase reaction (15 mM Tris (pH 7.5), 2 mM dithiothreitol, and 0.01% Tween 20), and the mixture was incubated at 25° C. for 40 minutes for kinase reaction. The reaction was terminated by adding EDTA (final concentration: 30 mM) thereto. Finally, the unphosphorylated substrate peptide (S) and the phosphorylated peptide (P) were separated and detected by microcapillary electrophoresis using LabChip EZ Reader II (PerkinElmer Inc.). The amount of phosphorylation reaction was determined from the respective peak heights of S and P. The compound concentration which can suppress the phosphorylation reaction by 50% was defined as an IC50 value (nM).
8756	1	PI3Kdelta Scintillation Proximity A3 Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.).The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
8756	2	PI3K Enzyme A2 Assay	Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; are purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination is performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
8757	1	Bcl-2 Competition Binding (Fluorescence Polarization) Assay	The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labeled BH3 peptide emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When the peptide is bound to Bcl-2, the complex tumble slower and the emitted light can have a higher level of polarization, resulting in a higher mP value. This binding assay was performed in 96-well plate and with each assay contained 15 and 30 nM of labeled peptide and purified Bcl-2 protein (purchased from R&D Systems, Inc). The assay buffer contained 20 mM Hepes (pH 7.0), 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.1 mg/ml Bovine Gamma Globulin and 0.01% NP40. Compounds were diluted in DMSO and added to the final assay with concentration range from 20 uM to 2 nM. The polarization degree (mP) value was determined by BioTek Synergy II with background subtraction after 3 hours of incubation at room temperature. IC50 was calculated using Prism software with sigmoidal dose-response curve fitting. ABT-737 was used as reference compound. Such assays, carried out with a range of doses of test compounds, allow the determination of an approximate IC50 value. Although the inhibitory properties of the compounds of the present invention vary with structural change as expected, the activity generally exhibited by these agents is in the range of IC50=0.1-1000 nM.
8758	1	mGlu3 Ca2+ Flux Assay	G&#945;15/TREx cells stably expressing rat mGlu3 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 &#956;L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, 25 ng/mL tetracycline, 100 units/mL penicillin/streptomycin plus 250 ng/mL Fungizone, and 1 mM sodium pyruvate) at a density of 15K cells/well. The cells were grown overnight at 37° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 &#956;L of 2.3 LM Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 60 minutes at room temperature. Dye was removed, 20 &#956;L of assay buffer was added, and the plate was incubated for 10 minutes at room temperature.Ca2+ flux was measured using the Functional Drug Screening System (FDSS7000, Hamamatsu, Japan). After establishment of a fluorescence baseline for about 3 seconds, the compounds of the present invention were added to the cells, and the response in cells was measured. 2.3 minutes later an EC20 concentration of the mGlu3 receptor agonist glutamate was added to the cells, and the response of the cells was measured for 1.9 minutes; an EC80 concentration of agonist was added and readings taken for an additional 1.7 minutes. All test compounds were dissolved and diluted to a concentration of 10 mM in 100% DMSO. Compounds were then serially diluted 1:3 in DMSO into 10 point concentration response curves, transferred to daughter plates, and further diluted into assay buffer to a 2× stock. Calcium fluorescence measures were recorded as fold over basal fluorescence; raw data was then normalized to the maximal response to glutamate. Antagonism of the agonist response of the mGlu3 receptor in the present invention was observed as a decrease in response to nearly maximal concentrations of glutamate in the presence of compound compared to the response to glutamate in the absence of compound.The raw data file containing all time points was used as the data source in the analysis template. This was saved by the FDSS as a tab-delimited text file. Data were normalized using a static ratio function (F/F0) for each measurement of the total 360 values per well divided by each well&#39;s initial value. Data were then reduced to peak amplitudes (Max&#8722;Initial Min) using a time range that starts approximately 3 seconds prior to the glutamate EC80 addition and continues for approximately 90 seconds. This is sufficient time to capture the peak amplitude of the cellular calcium response. Individual amplitudes were expressed as % EMax by multiplying each amplitude by 100 and then dividing the product by the mean of the amplitudes derived from the glutamate ECMax-treated wells. EC50 values for test compounds were generated by fitting the normalized values versus the log of the test compound concentration (in mol/L) using a 4 parameter logistic equation where none of the parameters were fixed. Each of the three values collected at each concentration of test compound were weighted evenly.
8758	2	mGlu2 Ca2+ Flux Assay	G&#945;15 HEK293 cells stably expressing rat mGlu2 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 &#956;L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 1 mM sodium pyruvate) at a density of 12K cells/well. The cells were grown overnight at 37° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 &#956;L of 2.3 LM Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 45 minutes at 37° C. Dye was removed, 20 &#956;L of assay buffer was added, and the plate was incubated for 5 minutes at room temperature.Ca2+ flux was measured using the Functional Drug Screening System (FDSS7000, Hamamatsu, Japan). After establishment of a fluorescence baseline for about 3 seconds, the compounds of the present invention were added to the cells, and the response in cells was measured. 2.3 minutes later an EC20 concentration of the mGlu2 receptor agonist glutamate was added to the cells, and the response of the cells was measured for 1.9 minutes; an EC80 concentration of agonist was added and readings taken for an additional 1.7 minutes. All test compounds were dissolved and diluted to a concentration of 10 mM in 100% DMSO. Compounds were then serially diluted 1:3 in DMSO into 10 point concentration response curves, transferred to daughter plates, and further diluted into assay buffer to a 2× stock. Calcium fluorescence measures were recorded as fold over basal fluorescence; raw data was then normalized to the maximal response to glutamate. Antagonism of the agonist response of the mGlu2 receptor in the present invention was observed as a decrease in response to nearly maximal concentrations of glutamate in the presence of compound compared to the response to glutamate in the absence of compound.The raw data file containing all time points was used as the data source in the analysis template. This was saved by the FDSS as a tab-delimited text file. Data were normalized using a static ratio function (F/F0) for each measurement of the total 360 values per well divided by each well&#39;s initial value. Data were then reduced to peak amplitudes (Max&#8722;Initial Min) using a time range that starts approximately 3 seconds prior to the glutamate EC80 addition and continues for approximately 90 seconds. This is sufficient time to capture the peak amplitude of the cellular calcium response. Individual amplitudes were expressed as % ECMax by multiplying each amplitude by 100 and then dividing the product by the mean of the amplitudes derived from the glutamate ECMax-treated wells. IC50 values for test compounds were generated by fitting the normalized values versus the log of the test compound concentration (in mol/L) using a 4 parameter logistic equation where none of the parameters were fixed. Each of the three values collected at each concentration of test compound were weighted evenly.
8758	3	mGlu5 Ca2+ Flux Assay	HEK 293A cells stably expressing rat mGlu5 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 &#956;L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, 100 units/mL penicillin/streptomycin plus 250 ng/mL Fungizone, and 1 mM sodium pyruvate) at a density of 20K cells/well. The cells were grown overnight at 37° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 &#956;L of 2.3 LM Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 45 minutes at 37° C. Dye was removed, 20 &#956;L of assay buffer was added, and the plate was incubated for 5 minutes at room temperature.Ca2+ flux was measured using the Functional Drug Screening System (FDSS7000, Hamamatsu, Japan). After establishment of a fluorescence baseline for about 3 seconds, the compounds of the present invention were added to the cells, and the response in cells was measured. 2.3 minutes later an EC20 concentration of the mGlu5 receptor agonist glutamate was added to the cells, and the response of the cells was measured for 1.9 minutes; an EC80 concentration of agonist was added and readings taken for an additional 1.7 minutes. All test compounds were dissolved and diluted to a concentration of 10 mM in 100% DMSO. Compounds were then serially diluted 1:3 in DMSO into 10 point concentration response curves, transferred to daughter plates, and further diluted into assay buffer to a 2× stock. Calcium fluorescence measures were recorded as fold over basal fluorescence; raw data was then normalized to the maximal response to glutamate. Potentiation of the agonist response of the mGlu5 receptor in the present invention was observed as an increase in response to submaximal concentrations of glutamate in the presence of compound compared to the response to glutamate in the absence of compound. Antagonism of the agonist response of the mGlu5 receptor in the present invention was observed as a decrease in response to nearly maximal concentrations of glutamate in the presence of compound compared to the response to glutamate in the absence of compound.The raw data file containing all time points was used as the data source in the analysis template. This was saved by the FDSS as a tab-delimited text file. Data were normalized using a static ratio function (F/F0) for each measurement of the total 360 values per well divided by each well&#39;s initial value. Data were then reduced to peak amplitudes (Max&#8722;Initial Min) using a time range that starts approximately 3 seconds prior to the glutamate EC20/EC80 addition and continues for approximately 90-120 seconds. This is sufficient time to capture the peak amplitude of the cellular calcium response. Individual amplitudes were expressed as % EMax by multiplying each amplitude by 100 and then dividing the product by the mean of the amplitudes derived from the glutamate ECMax-treated wells. EC50 values for test compounds were generated by fitting the normalized values versus the log of the test compound concentration (in mol/L) using a 4 parameter logistic equation where none of the parameters were fixed. Each of the three values collected at each concentration of test compound were weighted evenly
8759	1	Ubitquin-Rhodamine 110 Assay for USP1 Activity	The HTS assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2) (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). The final concentration of the enzyme (USP1, construct USP1 (1-785, GG670, 671AA)/UAF1 (1-677)-Flag; Viva) in the assay was 100 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 10 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2× Ub-Rh110 or preincubated with USP1 40 minutes prior to the addition of 10 &#956;L of 2× Ub-Rh110 to compound plates. Plates were incubated stacked for 45 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech)For follow-up IC50 studies, each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP1, construct USP1 (1-785, GG670, 671AA)/UAF1 (1-677)-Flag; Viva) in the assay was 25 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP1 for 30 minutes and then 5 &#956;L of 2× Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 minutes at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
8760	1	Measurement of Binding Affinity for Serotonin 5-HT7 Receptor	Human gene recombinant 5-HT7 receptor expressed in Chinese hamster ovary (CHO) cells was used. [3H]LSD 1 nM, the 5-HT7 receptor membrane (15 &#956;g/well), each of the samples of Example 1-20 at various concentrations, 10 mM MgCl2, and 50 mM Tris-HCl buffer (pH 7.4) containing 0.1 mM EDTA were added to a vessel until the final volume reached 0.25 ml. The reaction mixture was incubated at 25° C. for 90 min. The incubated reaction mixture was rapidly passed through a Whatman GF/C glass fiber filter, which had been previously soaked with 0.3% polyethyleneimine, using a Brandel-Harvester to quench the reaction and washed with cold 50 mM Tris-HCl buffer. The filter was covered with MeltiLex, sealed in a sample bag, and dried in an oven. The radioactivity retained in the filter was counted using MicroBeta (Wallac). Non-specific binding was determined in the presence of 0.5 &#956;M Mianserin. The Ki value of the test drug was calculated from a nonlinear regression (GraphPad Prism Program, San Diego, USA) of the isotherm curves obtained from 2 repeated tests for two test tubes with concentrations of 10th and 11th steps test.
8761	1	Measurement of Human &#945;7 Nicotinic Acetylcholine Receptor (nAChR)&#39;s Activity	Activity of heteromeric &#945;7 nAChR was measured via FlexStation-Ca2+ influx assay. In the present example, in consideration of &#945;7 nAChR being Ca2+-permeable non-selective cationic channels, changes intracellular Ca2+ concentration were measured using a fluorescent dye Calcium-3 (available from Molecular Devices) and FlexStation II instrument (available from Molecular Devices).Human CHRNA7 (NM_000746) cDNA ORF clone (C/N RC221382; Origene) and Human RIC3 (NM_024557) cDNA ORF clone (C/N RC205179; Origene) were subcloned into pcDNA2.1/Zeo(+) vector (available from Invitrogen, Co.) to construct HEK293T/17 cells (ATCC, CRL-11268) transfected with human &#945;7 nAChR. Afterward, the cells were suspended in growth media (consisted of Dulbecco&#39;s Modified Eagle&#39;s Media (DMEM, available from Invitrogen), a 10% heat-inactivated fetal bovine serum (FBS, available from Invitrogen), 300 &#956;g/ml Geneticin (available from Invitrogen), 250 &#956;g/ml Zeocin (available from Invitrogen), and 1× penicillin/streptomycin (available from Invitrogen)), followed by plating onto a &#934;150 mm plate. Twenty-four hours prior to the start of the assay, grown cells in the suspension were collected, followed by centrifugation and further suspension at a concentration of 5×105 cells/mL in growth media. This cell suspension was dispensed to each well of a 96-well black plate (5×104 cells/well) with a poly-D-lysine-coated transparent bottom (available from Biocoat, BD). The plate with the cells were incubated at about 37° C. in 5% CO2 for about 24 hours.On the day of the assay, after removal of the growth media, the cells were washed once with an assay buffer (7 mM Tris-Cl, 20 mM HEPES, 20 mM NaCl, 5 mM KCl, 0.8 mM MgSO4, 4 mM CaCl2, 120 mM NMDG, 5 mM D-glucose, pH 7.4), followed by addition of about 100 ul per well of a Calcium-3 dye diluted with the assay buffer, and storage at room temperature for about 1 hour. A test compound (10 mM stock in 100% dimethyl sulfoxide (DMSO)) was diluted with the assay buffer to various concentrations, from the highest at about 40 &#956;M to be lower by &#8531;, and PNU-120596 (available from Sigma) for amplifying Ca2+ permeability signaling was diluted to about 30 &#956;M with the assay buffer. Epibatidine (available from Sigma) in a final concentration of about 1 &#956;M was used as a positive control group.To measure changes in intracellular Ca2+ concentration, after the plate was stored at room temperature for about 1 hour and the test compound dilution plate were put into FlexStation II equipment, fluorescence of the cells were measured for about 30 seconds prior to addition of drugs (the compounds), followed by addition of PNU-120596 and measurement of changes in fluorescence for about 120 seconds. After the cells were exposed to the test compound, changes in fluorescence for about 90 seconds were measured (excitation at 485 nm/emission at 525 nm). The largest fluorescence value at each concentration was recorded, and an EC50 of the test compound was determined using non-linear regression analysis with relative fluorescence values relative to the positive control group.
8762	1	HDAC Enzyme Activity Inhibition Assay (In Vitro)	The effectiveness, or potency, of a present HDACI with respect to inhibiting the activity of an HDAC is measured by an IC50 value. The quantitative IC50 value indicates the concentration of a particular compound that is needed to inhibit the activity of an enzyme by 50% in vitro. Stated alternatively, the IC50 value is the half maximal (50%) inhibitory concentration of a compound tested using a specific enzyme, e.g., HDAC, of interest. The smaller the IC50 value, the more potent the inhibiting action of the compound because a lower concentration of the compound is needed to inhibit enzyme activity by 50%.In preferred embodiments, a present HDACI inhibits HDAC enzymatic activity by about at least 50%, preferably at least about 75%, at least 90%, at least 95%, or at least 99%.Compounds of the present invention were tested for IC50 values against both HDAC6 and HDAC1. In some embodiments, a present compound also was tested against HDAC1, 2, 3, 4, 5, 8, 10, and 11. The tested compounds showed a range of IC50 values vs. HDAC6 of about 1 nm to greater than 30 &#956;m, and a range of IC50 values vs. HDAC1 of about 91 nm to greater than 30 &#956;m. Therefore, in some embodiments, a present HDACI is a selective HDAC6 inhibitor which, because of a low affinity for other HDAC isozymes, e.g., HDAC1, give rise to fewer side effects than compounds that are non-selective HDAC inhibitors.In some embodiments, the present HDACIs interact with and reduce the activity of all histone deacetylases in a cell. In some preferred embodiments, the present HDACIs interact with and reduce the activity of fewer than all histone deacetylases in the cell. In certain preferred embodiments, the present HDACIs interact with and reduce the activity of one histone deacetylase (e.g., HDAC-6), but do not substantially interact with or reduce the activities of other histone deacetylases (e.g., HDAC-1, HDAC-2, HDAC-3, HDAC-4, HDAC-5, HDAC-7, HDAC-8, HDAC-9, HDAC-10, and HDAC-11).
8763	1	Inhibition of Btk Enzymatic Activity	The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepared with 8-point serial dilutions for the test compounds on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &#956;l per well of peptide/ATP-solution (4 &#956;M FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2, 164 &#956;M ATP) in kinase buffer (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &#956;M sodium orthovanadate, 18 mM MgCl2, 1 mM MnCl2) and 4.5 &#956;l per well of enzyme solution (6.4 nM full-length human recombinant BTK) in kinase buffer. Kinase reactions were incubated at 30° C. for 60 minutes and subsequently terminated by addition of 16 &#956;l per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Kinase reactions were analyzed on a Caliper LC3000 workstation by separating phosphorylated and unphosphorylated peptides and kinase activities were calculated from the amounts of newly formed phospho-peptide. Inhibition data were calculated by comparison to control reactions without enzyme (100% inhibition) and without inhibitors (0% inhibition). The concentration of inhibitor required for 50% inhibition (IC50) was calculated from the inhibition in response to inhibitor concentrations.
8764	1	Tritiated Compound Binding to Membranes Isolated from Cells that Heterologously Express hNav1.7 and the beta1 Subunit	Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 times the cell pellet weight with ice cold 50 mM Tris HCl, pH 7.4 buffer. The cell suspensions were homogenized on ice using a motorized glass dounce homogeniser. Homogenates were further diluted 8.4 times with ice cold 50 mM Tris HCl, pH 7.4 buffer and then centrifuged at 200×g at 4° C. for 15 min. The supernatants were collected and centrifuged at 10000×g at 4° C. for 50 min. The pellets were then re-suspended in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 1% v/v protease inhibitors (Calbiochem) and re-homogenized on ice. The homogenized membranes were then processed through a syringe equipped with a 26 gauge needle. Protein concentrations were determined by Bradford Assay and the membranes were stored at &#8722;80° C.Radioligand Binding Studies: Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was performed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18h. Non-specific binding was determined in the presence of 1 &#956;M unlabeled compound. After 18h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive binding experiments: Binding reactions were performed in 96-well polypropylene plates at room temperature for 18h. In 360 &#956;L, membranes were incubated with 100 pM [3H]compound and increasing concentrations of Test Compound. Non-specific binding was defined in the presence of 1 &#956;M unlabeled compound. Reactions were transferred and filtered through 96-well glass fiber/C filter plates presoaked with 0.5% polyethylene imine. The filtered reactions were washed 5 times with 200 &#956;L ice cold buffer containing 0.25% BSA. Bound radioactivity was determined by liquid scintillation counting.Data Analysis: For saturation experiments, non-specific binding was subtracted from total binding to provide specific binding and these values were recalculated in terms of pmol ligand bound per mg protein. Saturation curves were constructed and dissociation constants were calculated using the single site ligand binding model: Beq=(Bmax*X)/(X+Kd), where Beq is the amount of ligand bound at equilibrium, Bmax is the maximum receptor density, Kd is the dissociation constant for the ligand, and X is the free ligand concentration. For competition studies percent inhibition was determined and IC50 values were calculated using a 4 parameter logistic model (% inhibition=(A+((B&#8722;A)/(1+((x/C){circumflex over (&#8195;)}D)))) using XLfit, where A and B are the maximal and minimum inhibition respectively, C is the IC50 concentration and D is the (Hill) slope.
8764	2	Electrophysiological Assay (EP) (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following voltage clamp electrophysiology studies were performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1.5 channels. cDNAs for Nav1.7 (NM_002977) and Nav1.5 (AC137587) were stably expressed in Chinese Hamstr Ovary (CHO) cells and CHL (Chinese Hamster Lung) cells respectively. Sodium currents were measured in the whole-cell configuration using Syncropatch 384PE (NanIon Technologies, Germany). 1NPC -384 chips with custom medium resistance and single hole mode are used. Internal solution consists of (in mM): 110 CsCl, 10 CsCl, 20 EGTA, and 10 Hepes (pH adjusted to 7.2); and external solution contains (in mM): 60 NMDG, 80 NaCl, 4 KCl, 1 MgCl2, 2 CaCl2, 2 D-Glucose monohydrate, 10 Hepes (pH adjusted to 7.4 with NaOH).After system flushing, testing compounds are dissolved in external solution containing 0.1% Pluronic F-127. The chip is moved into the measuring head and the instrument primes the chip with external and internal solutions. 10l cells are added to the chip from a cell hotel, and a negative pressure of &#8722;50 mBar is applied to form a seal. Following treatment with seal enhancer solution and wash-off with external solution, negative pressure of &#8722;250 mbar is applied for 1 second to achieve the whole-cell configuration, followed by three washing steps in external solution. 20 &#956;l of compounds is added to 40 &#956;l in each well (1:3 dilution of compounds), and after mixing, 20 &#956;l is removed so the volume is retained at 40 &#956;l. After approximately 13 minutes recordings, 20 &#956;l/well of 2 uM TTX, or 333 uM Tetracaine (for Nav1.5) is added to achieve full block.For voltage protocol, an holding potential of &#8722;50 mV is applied during the whole experiment. A depolarizing step is applied to &#8722;10 mV for 10 ms, followed by a hyperpolarization step to &#8722;150 mV for 20 ms to allow channel recovery from inactivation. A second depolarizing step is applied from &#8722;150 mV to &#8722;10 mV for 10 ms, where currents were measured to derive blocking effects of compounds. Inhibition is determined based on 7.5 min of compound incubation.
8764	3	Tritiated Compound Binding to Membranes Isolated from Cells that Heterologous Express hNav1.7 and the beta1 Subunit	Preparation of membranes containing recombinantly expressed sodium channels: Following the procedure described in Example 243A, and making modifications as required to: centrifuge supernatants at 100000×g instead of 10000×g; re-suspend pellets in a buffer containing 0.01% BSA in addition to 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer, and 1% v/v proteasome inhibitors; and storing membranes at &#8722;80° C. in single use aliquots instead of pooled.Radioligand Binding Studies: Saturation experiments: Following the procedure described in Example 243A, and making modifications as required to incubate [3H]compound for 3 hours instead of 18 hours.Competitive binding experiments: Following the procedure described in Example 243A, and making modifications as required to: perform binding experiments at room temperature for 3 hours instead of 18 hours; use 240 uL of solution and 300 pM of [3H]compound instead of 360 uL and 100 pM of [3H]compound; and wash filtered reactions 2 times instead of 5 times.Data Analysis: Following the procedure described in Example 243A.
8765	1	ERK2 In Vitro Inhibition Assay	Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated version of Activating transcription factor 2 labelled with green fluorescent protein (ATF2-GFP) (Life Technologies). Assay reactions containing 50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Triton X-100, 1 mM DTT, 2.5% DMSO, 0.4 mM ATF2-GFP, 20 &#956;M ATP and 0.25 nM ERK2 were set up in the presence of compound and allowed to proceed for 30 min at room temperature. Reactions were then stopped using TR-FRET dilution buffer (Life Technologies), 25 mM EDTA and 2 nM Tb-Anti-pATF2 (Thr71) (Life Technologies). After a further incubation period of at least 30 minutes, fluorescence was read on a Pherastar reader (Lanthascreen optic module; excitation 340 nm, emission 520 nm (channel A), 495 nm (channel B)). The ratio between A and B counts was used to calculate signal. IC50 values were calculated using a sigmoidal dose response equation (Prism GraphPad software, La Jolla, Calif., USA).
8766	1	Evaluation of Biological Activity	Compounds that enhance the Wnt activity, or Activators, were assayed as follows. Reporter cell lines were generated by stably transducing cells of colon cancer cell lines (with a lentiviral construct that included a Wnt-responsive promoter driving expression of the firefly luciferase gene).Lentiviral constructs were made in which the SP5 promoter, a promoter having eight TCF/LEF binding sites derived from the SP5 promoter, was linked upstream of the firefly luciferase gene. The lentiviral constructs also included a hygromycin resistance gene as a selectable marker. The SP5 promoter construct was used to transduce SW480 cells, a colon cancer cell line having a mutated APC gene that generates a truncated APC protein, leading to de-regulated accumulation of &#946;-catenin.Cultured SW480 cells bearing a reporter construct were distributed at approximately 10,000 cells per well into 384- or 96-well multiwell plates. Compounds from a small molecule compound library were then added to the wells in half-log dilutions using a maximum concentration of three or ten micromolar. A series of control wells for each cell type received only buffer and compound solvent DMSO. Twenty-four hours after the addition of compound, reporter activity for luciferase was assayed, for example, by addition of the BrightGlo luminescence reagent (Promega) and the Victor3 plate reader (Perkin Elmer). Readings were normalized to DMSO only treated cells, and any activities above DMSO were considered activation. Compounds were considered activators if reporter activities were 2× fold or greater than DMSO. EC50 is the concentration at half maximal activation.
8767	1	Analysis of Inhibition of HDAC9 with the Compounds	The potency of the compounds is quantified by measuring the Histone Deacetylase 9 (HDAC9) enzymatic activity using the fluorogenic substrate, Boc-Lys(Tfa)-AMC. The substrate is deacetylated to Boc-Lys-AMC by HDAC9. Cleavage by trypsin results in the release of the fluorophore AMC from the deacetylated substrate. The fluorescence of the sample is directly related to the histone deacetylase activity in the sample.Serially Dilute the Compounds.Serial dilutions of the compounds and control reference compound (1-(5-(3-((4-(1,3,4-oxadiazol-2-yl)phenoxy)methyl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2,2,2-trifluoroethanone) are made by first resuspending the lyophilized compound to a final concentration of 10 mM in 100% DMSO. Stocks of 60 &#956;L aliquots of the 10 mM compound in DMSO are prepared and stored at &#8722;20° C. From one stock aliquot of each compound to be tested and the reference compound, a 16-point serial dilution is prepared according to Table 1 using a 125 &#956;L 16-channel Matrix multi-channel pipette.2 &#956;L (200×) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottom polypropylene 384-well compound plates using either the Bravo, Janus, or 12.5 &#956;L 16-channel Matrix multi-channel pipette. Each well with the stamped 200× compound solution is diluted 1:20 by the addition of 38 &#956;L assay buffer+DMSO (10.5% DMSO, 45 mM Tris-HCl, 123 mM NaCl, 2.4 mM KCl, and 0.9 mM MgCl2 at pH 8.0 and equilibrated to 37° C.).Prepare HDAC9 Enzyme (0.57 &#956;g/mL).The HDAC9 enzyme is human HDAC9 (GenBank Accession No. NM_178423) amino acids 604-1066 with a C-terminal His tag and can be obtained from BPS BioScience. The protein is 50.7 kDa and is expressed in a baculovirus expression system. A working solution of enzyme is prepared from a 0.5 mg/mL stock aliquot of HDAC9 (thawed on ice) diluted to 0.57 &#956;g/mL with assay buffer (50 mM Tris-HCl, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2 at pH 8 and equilibrated to 37° C.) just prior to the addition of enzyme to the assay.Prepare 5× (125 &#956;M) Boc-Lys(Tfa)-AMC Substrate.5× (125 &#956;M) substrate is prepared just prior to the addition to the assay. The 5× substrate is prepared by diluting a 100 mM Boc-Lys(Tfa)-AMC in DMSO solution 1:800 by adding it drop-wise to assay buffer (equilibrated to 37° C.) while vortexing at slow speed to prevent precipitation.Prepare 3× (30 &#956;M) Developer/Stop Solution.3× (30 &#956;M) Developer/Stop Solution is prepared just prior to addition to the plate by diluting a stock solution of 10 mM reference compound 1:333 in 25 mg/mL trypsin equilibrated to 37° C.Assay.5 &#956;L of each solution of 1:20 diluted compound from above is transferred to a clear bottomed, black, 384-well assay plate using the Bravo or Janus. Using a 16-channel Matrix multi-channel pipette, 35 &#956;L of the working solution of the HDAC9 enzyme (0.57 &#956;g/mL in assay buffer) is transferred to the assay plate. The assay is then started by adding 10 &#956;L of 5× (125 &#956;M) substrate to the assay plate using either the Bravo, Janus or 16-channel Matrix multi-channel pipette. The assay plate is then shaken for one minute on an orbital shaker at 900 rpm. Next, the plate is incubated for 15 minutes at 37° C. The reaction is stopped by adding 25 &#956;L of 3× developer/stop solution to the assay plates using either the Bravo, Janus or a 16-channel Matrix multi-channel pipette. The assay plate is then shaken for 2 minutes on an orbital shaker at 900 rpm. Next, the assay plate is incubated at 37° C. for 1 hour in a tissue culture incubator followed by shaking for 1 minute at maximum rpm on an orbital shaker before reading on the enVision. Finally, the fluorescence is measured (Excitation: 355 nm, Emission: 460 nm) using PerkinElmer EnVision in top read mode.
8768	1	ATM kinase assay&#151;determination of ATM inhibition (IC50 ATM)	The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detection step. Firstly, ATM (ataxia telangiectasia mutated) protein and the test substance are incubated at different concentrations with addition of substrate protein p53 and ATP. ATM mediates the phosphorylation of p53 at several positions, including at amino acid S15. The amount of phosphorylated p53 is determined with the aid of specific antibodies and the TR-FRET technique. The enzymatic ATM assay is carried out as TR-FRET (HTRF&#153;, Cisbio Bioassays) based 384-well assay. In the first step, purified human recombinant ATM (human ATM, full length, GenBank ID NM_000051, expressed in a mammal cell line) is incubated in assay buffer for 15 minutes with the ATM inhibitor in various concentrations and without test substance as negative or neutral control. The assay buffer comprises 25 mM HEPES pH 8.0, 10 mM Mg(CH3COO)2, 1 mM MnCl2, 0,1% BSA and 0,01% Brij 35, 5 mM dithiothreitol (DTT). The test-substance solutions were dispensed into the microtitre plates using an ECHO 555 (Labcyte). In the second step, purified human recombinant cmyc-labelled p53 (human p53, full length, GenBank ID BC003596, expressed in Sf21 insect cells) and ATP are added, and the reaction mixture is incubated at 22° C. for 30-35 minutes. The pharmacologically relevant assay volume is 5 &#956;l. The final concentrations in the assay during incubation of the reaction mixture are 0.3-0.4 nM ATM, 50-75 nM p53 and 10 &#956;M ATP. The enzymatic reaction is stopped by addition of EDTA. The formation of phosphorylated p53 as the result of the ATM-mediated reaction in the presence of ATP is detected via specific antibodies [labelled with the fluorophorene europium (Eu) as donor and d2 as acceptor (Cisbio Bio-assays)] which enable FRET. 2 &#956;l of antibody-containing stop solution (12.5 mM HEPES pH 8.0, 125 mM EDTA, 30 mM sodium chloride, 300mM potassium fluoride, 0.1006% Tween-20, 0.005% Brij 35, 0.21 nM anti-phospho-p53(ser15)-Eu antibody and 15 nM anti-cmyc-d2 antibody) are added to the reaction mixture. After incubation, usually for 2 hours (between 1.5 and 15h), for signal development, the plates are analysed in a plate reader (EnVision, PerkinElmer) using TRF mode (and with laser excitation). After excitation of the donor europium at a wavelength of 340 nm, the emitted fluorescence light both of the acceptor d2 at 665 nm and also of the donor Eu at 615 nm is measured. The amount of phosphorylated p53 is directly proportional to the quotient of the amounts of light emitted, i.e. the relative fluorescence units (RFU) at 665 nm and 615 nm. The measurement data were processed by means of Genedata Screener software. IC50 determinations are carried out, in particular, by fitting a dose/action curve to the data points by means of nonlinear regression analysis. 
8768	2	PI3K p110alpha/p85alpha (Human), Non-radioactive Assay	PI3K p110&#945;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphati-dylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After incubation at room temperature for 40 minutes, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665nm/Em620nm).
8768	3	PI3K p110beta/p85alpha (Human), Non-radioactive Assay	PI3K p110&#946;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphati-dylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665nm/Em620nm).
8768	4	PI3K p110delta/p85alpha (Human), Non-radioactive Assay	PI3K p110&#948;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphati-dylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665nm/Em620nm).
8768	5	PI3K (p120gamma) (Human), Non-radioactive Assay	PI3K (p120&#947;) (human) was incubated in an assay buffer comprising 10 &#956;M phosphati-dylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665nm/Em620nm). 
8768	6	mTOR (Human) assay	mTOR (human) was incubated with 50 mM HEPES pH 7.5, 1 mM EGTA, 0.01% Tween 20, 2 mg/ml of the substrate, 3 mM MnCl2 and [&#947;-33P-ATP] (specific activity approximately 500 cpm/pmol, concentration as necessary). The reaction was initiated by addition of MgATP solution. After incubation at room temperature for 40 minutes, the reaction was stopped by addition of 3% phosphoric acid. 10 &#956;l of the reaction solution were then transferred dropwise onto a P30 filtermat and washed three times for 5 min in 75 mM phosphoric acid and once in methanol, dried and evaluated by means of liquid scintillation counting.
2511	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 1-4-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA,) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.
2511	2	Enzyme Assay	Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
2542	1	In Vitro Activity Assay	The in vitro activity of the compounds of the compounds of the invention may be determined by the following procedure. More particularly, the following assay provides a method to determine whether compounds of the compounds of the invention inhibit the tyrosine kinase activity of the catalytic construct FAK(410-689). The assay is an ELISA-based format, measuring the inhibition of poly-glu-tyr phosphorylation by FAK(410-689). The assay protocol has three parts:I. Purification and cleavage of His-FAK(410-689)II. FAK410-689 (a.k.a. FAKcd) ActivationIII. FAKcd Kinase ELISAMaterials: Ni-NTA agarose (Qiagen) XK-16 column (Amersham-Pharmacia) 300 mM Imidizole Superdex 200 HiLoad 16/60 prep grade column (Amersham Biotech.) Antibody: Anti-Phosphotyrosine HRP-Conjugated Py20 (Transduction labs) FAKcd: Purified and activated in house TMB Microwell Peroxidase Substrate (Oncogene Research Products #CL07) BSA: Sigma #A3294 Tween-20: Sigma #P1379 DMSO: Sigma #D-5879 D-PBS: Gibco #14190-037 Reaqents for Purification: Buffer A: 50 mM HEPES pH 7.0 500 mM NaCl 0.1 mM TCEP Complete protease inhibitor cocktail tablets (Roche) Buffer B: 25 mM HEPES pH 7.0 400 mM NaCl 0.1 mM TCEP Buffer C: 10 mM HEPES pH 7.5 200 mM Ammonium Sulfate 0.1 mM TCEP Reagents for Activation: FAK(410-689): 3 tubes of frozen aliquots at 150 &#956;l/tube for a total of 450 &#956;l at 1.48 mg/ml (660 &#956;g) His-Src(249-524): 0.74 mg/ml stock in 10 mM HEPES, 200 mM (NH4)2SO4 Src reaction buffer (Upstate Biotech): 100 mM Tris-HCl pH7.2 125 mM MgCl2 25 mM MnCl2 2 mM EDTA 250 &#956;M Na3VO4 2 mM DTT Mn2+/ATP cocktail (Upstate Biotech) 75 mM MnCl2 500 &#956;M ATP 20 mM MOPS pH 7.2 1 mM Na3VO4 25 mM glycerol phosphate 5 mM EGTA 1 mM DTT ATP: 150 mM stock MgCl2: 1 M Stock DTT: 1 M stock Reagents for FAKcd Kinase ELISA: Phosphorylation Buffer: 50 mM HEPES, pH 7.5 125 mM NaCl 48 mM MgCl2 Wash Buffer: TBS+0.1% Tween-20. Blocking Buffer: Tris Buffer Saline 3% BSA 0.05% Tween-20, filtered Plate Coating Buffer: 50 mg/ml Poly-Glu-Tyr (Sigma #P0275) in Phosphate buffer Saline (DPBS). ATP: 0.1M ATP in H2O or HEPES, pH7 Note: ATP Assay Buffer: Make up as 75 uM ATP in PBS, so that 80 &#956;l in 120 &#956;l reaction volume=50 &#956;M final ATP concentration. I. Purification of His-FAKcd(410-689): 1. Resuspend 130 g baculovirus cell paste containing the over expressed His-FAKcd410-689 recombinant protein in 3 volumes (400 ml) of Buffer A. 2. Lyse cells with one pass on a microfluidizer. 3. Remove cell debris by centrifugation at 4° C. for 35 minutes at 14,000 rpm in a Sorval SLA-1500 rotor. 4. Transfer the supernatant to a clean tube and add 6.0 ml of Ni-NTA agarose (Qiagen). 5. Incubate the suspension with gentle rocking at 4° C. for 1 hour. 6. Centrifuge suspension at 700×g in a swinging bucket rotor. 7. Discard the supernatant and resuspend the agarose beads in 20.0 ml of Buffer A. 8. Transfer the beads to an XK-16 column (Amersham-Pharmacia) connected to a FPLC. 9. Wash the agarose-beads with 5 column volumes of Buffer A and elute off the column with a step gradient of Buffer A containing 300 mM Imidizole. 10. Perform a buffer exchange of the eluted fractions into Buffer B. 11. Following buffer exchange, pool the fractions and add thrombin at a 1:300 (w/w) ratio and incubated overnight at 13° C. to remove the N-terminal His-tag (His-FAK410-698 FAK410-689 (a.k.a. FAKcd)). 12. Add the reaction mixture back onto the Ni-NTA column equilibrated with Buffer A and collect the flow-through.
8769	1	Inhibition Activity Assay	ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention should be prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;m 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. 
8770	1	HTRF KinEASE Assay 	HTRF KinEASE-STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 Um STK3 peptide substrate, and 5 Nm of ASK1 kinase are incubated with kinase reaction buffer containing 50 Mm HEPES Ph 7.5, 0.01% BRIJ-35, 10 Mm MgCl2, and 1 Mm EGTA for 30 minutes. 100 Um ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 Nm streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. 
8771	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.
8772	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 mL for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments.
8774	1	high-throughput activity assay	Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The molecular mass of SARS-CoV-2 Mpro as determined by mass spectroscopy is 33797.0 Da, consistent with its theoretical molecular mass of 33796.8 Da. To characterize the enzymatic activity of SARS-CoV-2 Mpro and to carry out high-throughput screening of inhibitors, we developed a fluorescence resonance energy transfer assay. To do this, we designed and synthesized the fluorescently labelled substrate Mca AVLQ&#8595;SGFRK(Dnp)K, derived from the N-terminal autocleavage sequence of the viral protease, for time-dependent kinetic analysis (Extended Data Fig. 1e). The catalytic efficiency (kcat/Km) for SARS-CoV-2 Mpro was measured to be 28,500 M&#8722;1 s&#8722;1, which is slightly higher than that for SARS-CoV Mpro (kcat/Km = 26,500 M&#8722;1 s&#8722;1)10 and more than 30-fold higher than that of human rhinovirus 3C protease (kcat/Km = 920 M&#8722;1 s&#8722;1).
8776	1	GAL4-RORgamma Transactivation	The ROR&#947; transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controlled by a pentamer of the GAL4 recognition domain of yeast and of a &#946;-globin promoter. The HG5LN line was stably transfected by the DNA-binding domain (DBD) of GAL4 fused to the ROR gamma ligand-binding domain (LBD). Molecules that inhibit the ROR gamma constitutive activity reduce the luciferase expression, thus leading to a reduction in the emitted luminescence.The cells are seeded in 384-well plates (5000 cells in 45 &#956;L/well of culture medium containing 10% fetal calf serum) and incubated for 4 hours at 37° C., 5% CO2. 5 &#956;L of the test molecules (compounds described in the tables described above) are then added to each well and the plates are incubated for 18 hours at a temperature of 37° C. under 5% of CO2. 20 &#956;L of luciferase substrate (Promega) are added to each well and the luminescence emitted is read by a microplate reader.The luminescence units ( RLU ) are normalized by positive controls ( POS containing a saturated concentration of benzenesulfonamide, N-(2,2,2-trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]) and negative controls ( NEG containing DMSO): % inhibition=((RLU&#8722;NEG)*100)/(POS&#8722;NEG). The IC50 values are calculated from a 4-parameter logistic model using the XLFit software (IDBS).
8776	2	I L-17A Secretion	This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibodies. The amount of IL-17a secreted is measured by the TR-FRET (kit HTRF Human Interleukin 17A (Cisbio, #64H17PEC)) technology.The cells are rapidly thawed, resuspended in their culture medium (RPMI inactivated 10% FCS) supplemented with soluble anti-CD28 antibodies and seeded (100 000 cells/well) in 96-well plates precoated with anti-CD3 antibodies. The cells are then treated with the ranges of inhibitors to be tested (from 1000 nM to 0.05 nM, 0.1% DMSO). After 4 days of incubation, the HTRF signal is measured using a microplate reader (&#955;excitation=337 nm, &#955;emission=620/665 nm). The ratios obtained (665/620) are normalized relative to the positive control (cells activated with anti-CD3 and anti-CD28, 0.1% DMSO). The IC50 values are calculated from a 4-parameter logistic model using the XLFit software (IDBS).
8778	1	TLR7 Agonist Activity Assay	Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) reporter transgene were suspended in a non-selective, culture medium (DMEM high-glucose (Invitrogen), supplemented with 10% fetal bovine serum (Sigma)). HEK-Blue TLR7 cells were added to each well of a 384-well tissue-culture plate (15,000 cells per well) and incubated 16-18 h at 37° C., 5% CO2. Compounds (100 nl) were dispensed into wells containing the HEK-Blue TLR cells and the treated cells were incubated at 37° C., 5% CO2. After 18 h treatment ten microliters of freshly-prepared Quanti-Blue reagent (Invivogen) was added to each well, incubated for 30 min (37° C., 5% CO2) and SEAP levels measured using an Envision plate reader (OD=620 nm). The half maximal effective concentration values (EC50; compound concentration which induced a response halfway between the assay baseline and maximum) were calculated.
8778	2	Interleukin 6 Induction Assay	Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid handling technology (25 nL per well). Human whole-blood samples (25 uL) were added to each well using a CyBio FeliX liquid handling instrument. The plate was shaken on a plate shaker for three min before incu-bating the reaction mixtures at 37° C. for 20 h. Basel RPMI 1640 medium (supplemented with L-glutamine) was then added to each well (25 uL per well) prior to liberating plasma from each sample by centrifugation (450×g, 5 min, ambient temperature). Treated plasma samples (3 uL) were subsequently transferred to individual wells of a white, shallow, 384-well ProxiPlate (Perkin Elmer) using the FeliX liquid handling instrument and their interleukin 6 levels were measured using AlphaLISA technology as described by the manufacturer, PerkinElmer. Data analyses software was used to determine compound EC50 values where the baseline was established using average DMSO values and 100% induction established using reference compound values at the highest concentration tested. EC50&#39;s can be determined with software such as Graphpad Prism.
8779	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 mL for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments.
8780	1	Radioligand Binding Assay	he affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 mL for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments.
8781	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 mL for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments.
8782	1	Human FXR (NR1H4) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit purchased from Indigo Bioscience (Catalogue number: IB00601) to determine the potency and efficacy of compound developed by Enanta that can induce FXR activation. The principle application of this reporter assay system is to quantify functional activity of human FXR. The assay utilizes non-human mammalian cells, CHO (Chinese hamster ovary) cells engineered to express human NR1H4 protein (referred to as FXR). Reporter cells also incorporate the cDNA encoding beetle luciferase which catalyzes the substrates and yields photon emission. Luminescence intensity of the reaction is quantified using a plate-reading luminometer, Envision. Reporter Cells include the luciferase reporter gene functionally linked to an FXR responsive promoter. Thus, quantifying changes in luciferase expression in the treated reporter cells provides a sensitive surrogate measure of the changes in FXR activity. EC50 and efficacy (normalize to CDCA set as 100%) is determined by XLFit. The assay is according to the manufacturer&#39;s instructions. In brief, the assay was performed in white, 96 well plates using final volume of 100 uL containing cells with different doses of compounds. Retrieve Reporter Cells from &#8722;80° C. storage. Perform a rapid thaw of the frozen cells by transferring a 10 ml volume of 37° C. cell recovery medium into the tube of frozen cells. Recap the tube of Reporter Cells and immediately place it in a 37° C. water bath for 5-10 minutes. Retrieve the tube of Reporter Cell Suspension from the water bath. Sanitize the outside surface of the tube with a 70% alcohol swab, and then transfer it into the cell culture hood. Dispense 90 &#956;l of cell suspension into each well of the 96-well Assay Plate. Transfer the plate into 37° C. incubator, allowing the cells adherent to the bottom of the well. Dilute compounds in Dilution Plate (DP), and administrate to cells at Assay Plate (AP). DMSO content of the samples was kept at 0.2%. Cells were incubated for additional 22 hours before luciferase activities were measured. Thirty minutes before intending to quantify FXR activity, remove Detection Substrate and Detection Buffer from the refrigerator and place them in a low-light area so that they may equilibrate to room temperature. Remove the plate&#39;s lid and discard all media contents by ejecting it into an appropriate waste container. Gently tap the inverted plate onto a clean absorbent paper towel to remove residual droplets. Cells will remain tightly adhered to well bottoms. Add 100 &#956;l of luciferase detection reagent to each well of the assay plate. Allow the assay plate to rest at room temperature for at least 5 minutes following the addition of LDR. Set the instrument (Envision) to perform a single 5 second plate shake prior to reading the first assay well. Read time may be 0.5 second (500 mSec) per well. EC50 and Efficacy (normalize to CDCA set as 100%) is determined by XLFit.
8783	1	In Vitro DAAO Enzyme Assay	The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which can be quantitatively measured using the Amplex (trade mark) Red (Invitrogen) detection. Amplex Red reagent is a colorless substrate that reacts with hydrogen peroxide (H2O2) with a 1:1 stoichiometry in the presence of hydrogen peroxide to produce highly fluorescent resorufin (excitation/emission maxima=570/585 nm). The changes in fluorescence were monitored by a fluorescence plate reader, Envision (Perkin Elmer) and increases in DAAO activity were readily detected upon addition of D-Serine and suppression of this response observed with the application of test compounds.Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 &#956;l portion of assay buffer was added to the wells of a 384 clear base black-walled plate (Corning), 5 &#956;l of diluted compound was then added via automated plate to plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 &#956;l of human DAAO enzyme and then 5 &#956;l D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 &#956;l Amplex red reagent (Invitrogen) was added to all wells as per manufacturer&#39;s protocol. The plate was incubated for 60 minutes in the dark at 25° C. and the fluorescence in each well was measured in the Envision plate reader.The IC50 values for compounds were determined from ten point half log scale dose-response studies and represent the concentration of compound required to prevent 50% inhibition of DAAO activity in the presence of 10 mM D-Serine. Concentration response curves were generated using the average of duplicate wells for each data point and analyzed using non-linear regression and four parameter curve fit.
8784	1	Caliper Enzyme Assay	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
8785	1	In-Vitro Kinase Inhibition Assay	Compounds 2-4 and cabozantinib were each tested for binding of c-Met, VEGFR2, TIE2 and the control compound, staurosporine. Specifically, each compound was tested at a 3-fold serial dilution starting at 10 microMolar ( &#956;M ) in a 10-dose IC50 mode into an enzyme/substrate mixture using acoustic technology, and pre-incubated for 20 minutes to ensure compounds were equilibrated and bound to the enzyme. Staurosporine was used as a control and was tested at a 4-fold serial dilution starting at 20 &#956;M. Next, 5 concentrations of ATP were added to initiate the reaction. The activity was monitored every 5-15 min for a time course study.
8786	1	Fluorescence Polarization Assay	Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M dithiothreitol (DTT), 10 mg/m: BGG (bovine gamma globulin) were added to hexafluorobenzene (HFB) buffer (20 mM HEPES pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP4O, 3rd distilled water) and mixed. Then, 100 nM gambogic acid (GA)-FITC (Fluorescein isothiocyanate) was added and reacted at room temperature for 10 minutes. Each 100 &#956;L of the mixture was dispensed into the control wells of a 96-well plate, 2 &#956;L of HSP90&#945; was added to the remaining mixture, and each 100 &#956;L of the other wells was dispensed. Each 98 &#956;L was dispensed into the wells to which the compound was to be treated, and then each 2 &#956;L was added at 5 mM, 2.5 mM, 500 &#956;M, 50 &#956;M, 25 &#956;M, 5 &#956;M, 500 nM or 50 nM for each concentration. After 1, 4, 6, or 18 hours of reaction, fluorescence polarization was measured at 495/530 nm by a plate reader.
8787	1	Enzyme Activity Inhibition Assay	HDAC enzyme activity was measured using a HDAC Fluorimetric Drug Discovery Kit (BML-AK511, 516, Enzo Life Science). For the HDAC1 enzyme activity test, human recombinant HDAC1 (BML-SE456) was used as an enzyme source, and Fluor de Lys-SIRT1 (BNL-KI177) was used as a substrate. A 5-fold dilution of the compound was seeded into a 96-well plate, and then 0.3 &#956;g of the enzyme and 10 &#956;M of the substrate were added to each well of the plate and allowed to react at 30 for 60 minutes. Then, Fluor de LysDeveloper II (BML-KI176) was added thereto and allowed to react for 30 minutes, after which the fluorescence value (Ex 360, Em 460) was measured using a multi-plate reader (Flexstation 3, Molecular Device). The HDAC6 enzyme was tested using human recombinant HDAC6 (382180) (Calbiochem) according to the same protocol as the HDAC1 enzyme activity test method. 
8788	1	cAMP Assay	Four days prior to the assay, 5,000 Chinese hamster ovary cells (CHO-K1, ATCC #CCL-61) stably expressing the human SSTR2 are plated in each well of a 96-well tissue culture-treated plate in Ham&#39;s F12 growth media (ThermoFisher #10-080-CM) supplemented with 10% donor bovine serum (Gemini Bio-Products #100-506), 100 U/mL penicillin; 100 ug/mL streptomycin; 2 mM L-glutamine (Gemini Bio-Products #400-110) and 0.2 mg/mL hygromycin B (GoldBio #31282-04-9). The cells are cultured at 37° C., 5% CO2 and 95% humidity. On the day of the assay, the media is aspirated and the cells are treated with 50 &#956;L of 1.6 &#956;M NKH477 (Sigma #N3290) plus various dilutions of compounds of the invention in assay buffer [1× Hank&#39;s Balanced Salt Solution (ThermoFisher #SH3058802), 0.5 mM HEPES pH 7.4, 0.1% bovine serum albumin, 0.2 mM 3-Isobutyl-1-methylxanthine (IBMX, VWR #200002-790)]. The cells are incubated for 20 minutes at 37° C. (the final concentration of the compounds of the invention are typically 0-10,000 nM). The cells are treated with 50 &#956;L of lysis buffer (HRTF cAMP kit, Cisbio). The lysate is transferred to 384-well plates and cAMP detection and visualization antibodies are added and incubated for 1-24 hours at room temperature. The time-resolved fluorescent signal is read with a Tecan M1000Pro multiplate reader. 
8789	1	Inhibition Assay	The PARP-1 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80551) purchased from BPS Bioscience.The 96-well plate provided in BPS Bioscience kit was coated with histone and incubated at 4° C. for 16 hours. Then, the plate was washed four times with PBST (7.5 mM Na2HPO4, 2.5 mM NaH2PO4, 145 mM NaCl, 0.05% Tween 20, pH 7.4), and blocking buffer (provided in BPS Bioscience kit) was added thereto in order to block nonspecific reaction, and was then incubated at 25° C. for 1 hour. After incubation for 1 hour, the plate was washed four times with PBST, and varying concentrations of each of the compounds of the Examples were added to a reaction solution containing PARP-1 enzyme (50 ng/well), an assay mixture and activated DNA, and allowed to react at 25° C. for 1 hour. After 1 hour, each well was washed four times with PBST, and in order to measure the level of ribosylation by PARP enzyme, streptavidin-linked peroxidase (Strep-HRP, 1:50 dilution) was added and allowed to react at 25° C. for 30 minutes. The plate was washed four times with PBST, and then finally an HRP chemiluminescent substrate was added and allowed to react. The level of histone ribosylation formed by each enzyme was quantified using Synergy H4 Hybrid Multi-Mode Microplate Reader (BioTek Instruments, Inc., USA). 
8789	2	Inhibition Assay	The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80573 or 80578) purchased from BPS Bioscience.The 96-well plate provided in BPS Bioscience kit was coated with histone and incubated at 4° C. for 16 hours. Then, the plate was washed four times with PBST (7.5 mM Na2HPO4, 2.5 mM NaH2PO4, 145 mM NaCl, 0.05% Tween 20, pH 7.4), and blocking buffer (provided in BPS Bioscience kit) was added thereto in order to block nonspecific reaction, and was then incubated at 25° C. for 1 hour. After incubation for 1 hour, the plate was washed four times with PBST, and varying concentrations of each of the compounds of the Examples were added to a reaction solution containing tankyrase-1 enzyme (40 ng/well) or tankyrase-2 enzyme (15 ng/well) and an assay mixture, and allowed to react at 25° C. for 1 hour. After 1 hour, each well was washed four times with PBST, and in order to measure the level of ribosylation by PARP enzyme, streptavidin-linked peroxidase (Strep-HRP, 1:50 dilution) was added and allowed to react at 25° C. for 30 minutes. The plate was washed four times with PBST, and then finally an HRP chemiluminescent substrate was added and allowed to react. The level of histone ribosylation formed by each enzyme was quantified using Synergy H4 Hybrid Multi-Mode Microplate Reader (BioTek Instruments, Inc., USA). 
8790	1	Caliper Mobility Shift Assay	CDK4: The test compound was dissolved in DMSO and diluted with a kinase buffer solution (20 mM HEPES-pH 7.5, 0.01% Triton X-100, 10 mM MgCl2, 2 mM DTT) and 5 &#956;L of compound at 5-fold final concentration of reaction dissolved in 10% DMSO was added in a 384-well plate. The compound-free control well was 5 &#956;L of 10% DMSO, and the no-activity control well was 5 &#956;L of kinase buffer. 10 &#956;L of a 2.5-fold diluted CDK4 enzyme solution (GST-CDK4(1-303 end)) was added and incubated at room temperature for 10 min, and then 10 &#956;L of the 2.5-fold diluted substrate solution Peptide FAM-P8 was added. The reaction was stopped by adding 25 &#956;L of stop solution after incubation at 28° C. for 3 h, and the conversion rate data was read on a Caliper EZ Reader II (Caliper Life Sciences) and the conversion rate was converted to inhibition rate data according to above method.
8790	2	Caliper Mobility Shift Assay	CDK6: The test compound was dissolved in DMSO and diluted with a kinase buffer solution (20 mM HEPES-pH 7.5, 0.01% Triton X-100, 10 mM MgCl2, 2 mM DTT) and 5 &#956;L of compound at 5-fold final concentration of reaction dissolved in 10% DMSO was added in a 384-well plate. The compound-free control well was 5 &#956;L of 10% DMSO, and the no-activity control well was 5 &#956;L of kinase buffer. 10 &#956;L of a 2.5-fold diluted CDK6 enzyme solution (GST-CDK6(1-326 end)) was added and incubated at room temperature for 10 min, and then 10 &#956;L of the 2.5-fold diluted substrate solution Peptide FAM-P8 was added. The reaction was stopped by adding 25 &#956;L of stop solution after incubation at 28° C. for 3 h, and the conversion rate data was read on a Caliper EZ Reader II (Caliper Life Sciences) and the conversion rate was converted to inhibition rate data according to above method. 
8791	1	In Vitro Activity Assay	Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo assay kit from Promega (V1402). Test compounds (with DMSO as vehicle, 0.5% v/v for SSAO) and the enzyme are incubated for 10 mins at room temperature before the addition of the luminogenic substrate. The substrate concentration is 10 &#956;M for human recombinant SSAO. The assays are conducted in a pH 7.4 buffer (50 mM HEPES, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1.4 mM MgCl2, 0.001% Tween-20) in a well-plate. Oxidation of the substrate is conducted for 2 hrs before the addition of detecting reagent according the manufacture&#39;s protocol. The IC50 value of the tested compounds is calculated by fitting the dose response curve using a 4-parameter non-linear regression routine.
8792	1	AlphaScreen Assay A1	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
8792	2	AlphaScreen Assay A2	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
8773	1	Receptor Binding Assay	The affinity of the test compounds for the GABA gated Cl-channel (GABA.A receptor complex) in the rat cerebral cortex was determined in a radioligand binding assay (Lewin et al,. 1989). Membrane homogenates of cerebral cortex are incubated for 120 min at 22° C. with 3 nM [35S]TBPS (-t-butylbicyclophosphoorothionate) in the presence and absence of the test compound.Following incubation, the samples are filtered rapidly under vacuum through glass fiber filters and rinsed several times with ice-cold buffer using a 96-sample cell harvester. The filters are dried then counted for radioactivity in a scintilliation counter using a scintillation cocktail (Microscint 0, Packard). Each compound was tested at several concentrations to calculate the IC50 values of the affinity to the GABA.A receptor complex in cerebral cortex of rats.
8793	1	Inhibition Assay	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 40 pM (Sekisui Diagnostics) and he synthetic substrate, Z-Gly-Pro-Arg-AFC, TFA salt (Sigma #C0980) at a concentration of 10004.
8793	2	Inhibition Assay	Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma #C6608) at a concentration of 100 mM.
8794	1	Biological Assay	A fluorescent imaging plate reader (FILEX/FLIPR station; Molecular Devices) was used to monitor intracellular calcium levels using the calcium-chelating dye Rim-4 (Molecular Probes). The excitation and emission wavelengths used to monitor fluorescence were 470-495 nm and 515-575 nm, respectively. Cells expressing purinergic receptors P2X3 (human) or P2X2/3 (human) were plated at a density of 15,000 cells/well in collagen-coated 384-well plates approximately 20 hours before beginning the assay. On the day of the assay, 20 &#956;l of loading buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, 2 &#956;M Fluo-4, and 5 units/mL, hexokinase, pH=7.4) was added and cells dye-loaded for 90 min at 37° C. The dye supernatant was removed and replaced with 45 &#956;l probenecid buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, 0.5 mM CaCl2, 0.5 mM MgCl2, 0.1% BSA, 5 mM probenecid, 10 mM D-glucose monohydrate, pH=7.4). The test compound was added in a volume of 5 &#956;l and allowed to incubate for 30 min at 37° C.
8795	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
8796	1	In Vitro Enzyme Assay	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.5 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 30 minutes at room temperature before the addition of 100 &#956;L Malachite Green. After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer. The concentration of inorganic phosphate was determined using a phosphate standard curve. 
8797	1	Kinase Enzyme Assays	The compounds of the invention were screened in vitro for their ability to inhibit c-Met kinase activity. Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, # PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, # P0275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, # DY990). The reaction was carried out in a 50 &#956;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &#956;M Na3VO4, 5 &#956;M ATP (Cell Signaling Technology, #9804) and serial dilutions of the test compound. The reaction lasted for 25 minutes at 30° C. After the reaction was completed, the contents of the plates were discarded. Plates were then washed with TBS-T (250 &#956;L/well, 5×) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &#956;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody (Sigma, # A5964) diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour, Plates were washed with TBS-T (250 &#956;L/well, 5×) and followed by the color reaction using 100 ML (1:1 mixture) of H2O2 and tetramethylbenzidine (R&D Systems, # DY999). The reaction was stopped in minutes with 100 ML of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm. 
8798	1	Radiometric Filter Plate MLK3 Assay	200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 &#956;M inactive MKK7b (Dundee, DU703) in the presence of 2 &#956;M cold ATP (Km) and 0.5 &#956;Ci/assay 33P ATP and appropriate concentrations of compounds. After a twenty minute incubation, the reactions were washed through filter plates and read on a scintillation counter.
8799	1	Biochemical JAK and Off-Target Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;l total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
8800	1	Enzymatic Inhibition Assay	11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilution plates, sample was transferred to a 384 wells assay plate (#781280, Greiner, Monroe, N.C.) using Labcyte Echo (Sunnyvale, Calif.), or Biosero ATS (San Diego, Calif.). The compounds were tested in duplicate. Column 12 was used for positive controls, and column 24 contained negative controls with no enzyme added. A compound from our internal collection, with inhibitory activity for JAK isoforms, was used as a reference compound. The final concentration of DMSO was <0.25% in a 20 &#956;L reaction. Assay conditions for each of the proteins are summarized in Table 3. The enzyme reaction was initiated by the addition of 10 &#956;L of enzyme and ATP mixture to 10 &#956;L of substrate solution prepared in reaction buffer (50 mM MOPS pH 7.5, 10 mM MgCl2, 1 mM EDTA, 2 mM DTT, 0.002% Tween-20). The Tyk2 enzyme was pre-incubated with 2 mM ATP for 30 min prior to the reaction initiation. Immediately after the addition of the enzyme to the reaction mixture, the plate was centrifuged at 1000 rpm for 1 minute and incubated at 25° C. for 45 minutes for JAK3 and 90 minutes for JAK1, JAK2 and Tyk2. The reaction was quenched by the addition of 20 &#956;L of 0.5% TFA containing 0.15 &#956;M of internal standard peptide using Multidrop Combi reagent dispenser (Thermo Scientific, Waltham, Mass.). Several wells in column 24 were typically used for the product standard curve. After the quench, the assay plate was centrifuged at 3000 rpm for 3 minutes and sealed with pierceable aluminum foil (Cat#06644-001, Agilent) using a PlateLoc (Agilent Technologies, Santa Clara, Calif.). The plates then were transferred on to the RapidFire for the MS analysis. Compound inhibition was assessed by a decrease of the phosphorylated product levels in sample wells compared to the non-inhibited enzyme reaction.
8801	1	TLR7 Agonist Activity Assay	Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) reporter transgene were suspended in a non-selective, culture medium (DMEM high-glucose (Invitrogen), supplemented with 10% fetal bovine serum (Sigma)). HEK-Blue TLR7 cells were added to each well of a 384-well tissue-culture plate (15,000 cells per well) and incubated 16-18 h at 37° C., 5% CO2. Compounds (100 nl) were dispensed into wells containing the HEK-Blue TLR cells and the treated cells were incubated at 37° C., 5% CO2. After 18 h treatment ten microliters of freshly-prepared Quanti-Blue reagent (Invivogen) was added to each well, incubated for 30 min (37° C., 5% CO2) and SEAP levels measured using an Envision plate reader (OD=620 nm). The half maximal effective concentration values (EC50; compound concentration which induced a response halfway between the assay baseline and maximum) were calculated.
8801	2	Interleukin 6 Induction Assay	Compounds diluted in DMSO were transferred to individual wells of a Matrix Tech-nologies clear, V-bottom 384-well plate using ECHO acoustic liquid handling technology (25 nL per well). Human whole-blood samples (25 uL) were added to each well using a CyBio FeliX liquid handling instrument. The plate was shaken on a plate shaker for three min before incubating the reaction mixtures at 37° C. for 20 h. Basel RPMI 1640 medium (supplemented with L-glutamine) was then added to each well (25 uL per well) prior to liberating plasma from each sample by centrifugation (450×g, 5 min, ambient temperature). Treated plasma samples (3 uL) were subsequently transferred to individual wells of a white, shallow, 384-well ProxiPlate (Perkin Elmer) using the FeliX liquid handling instrument and their interleukin 6 levels were measured using AlphaLISA technology as described by the manufacturer, PerkinElmer. Data analyses software was used to determine compound EC50 values where the baseline was established using average DMSO values and 100% induction established using reference compound values at the highest concentration tested. EC50&#39;s can be determined with software such as Graphpad Prism.
8802	1	Factor XIa assay 	The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the inhibitory constant, Ki.Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
8803	1	GLP-1 Assay with GLP1 Endogenous Agonist	To assess the effects of test compounds on GLP-1 or glucagon potency and efficacy, a high-throughput calcium mobilization assay was used essentially as previously described (Morris L C, Days E L, Turney M, Mi D, Lindsley C W, Weaver C D, Niswender K D, A Duplexed High-Throughput Screen to Identify Allosteric Modulators of the Glucagon-Like Peptide 1 and Glucagon Receptors. J. Biomol. Screen. 2014 Feb. 13, 19(6):847-858). Briefly, human GLP-1R or Glucagon Receptor 9-3-H cells over-expressing a promiscuous G-protein (Millipore, Billerica, Mass.) were plated at 15,000 cells/well in black-walled 384-well plates (Greiner Bio-one, Monroe, N.C.) in Dulbecco&#39;s Modified Eagles Medium (DMEM) with 10% FCS, 4.0 mM L-glutamine, non-essential amino acids (NEAAs), and 10.0 mM HEPES without antibiotics. After overnight attachment, cells were washed twice with assay buffer (HBSS supplemented with 20 mM HEPES and 1.0 mM probenecid) using an ELx405CW cell washer (Bio-Tek, Winooski, Vt.) and then loaded with the calcium sensitive dye fluo-4 AM (Invitrogen, Grand Island, N.Y.) at a final concentration of 2.0 &#956;M in assay buffer. After a 45-minute incubation at room temperature, the dye was removed by washing, leaving 20 &#956;L of assay buffer. Next, the cell plate was introduced alongside a 384-well compound plate containing 0.1% final DMSO control wells and 11-point concentration response curves of putative GLP-1 PAMs created using a non-pipet based liquid transfer instrument, ECH0555 (Labcyte, Sunnyvale, Calif.). After a 20 &#956;L compound addition to the appropriate wells, kinetic fluorescent measurements were collected for 2 minutes using an FDSS6000 (Hamamatsu, Bridgewater, N.J.) with 488 nm excitation and 480/540 emission filters. After 2 minutes, 10 &#956;L of an EC20 concentration of GLP-1 peptide 7-36 amide (Phoenix Pharmaceuticals, Burlingame, Calif.), Glucagon (Phoenix Pharmaceuticals, Burlingame, Calif.) Exendin-4 (Tocris Bioscience, Bristol, UK), or Liraglutide (Victoza , Novo-Nordisk, Denmark) was added and fluorescence was monitored for an additional 2 minutes to observe potentiation of the calcium flux signal. Control wells for vehicle, EC20 peptide, and Emax peptide resided in columns #1 and 24 and rows H and I to account for any plate variations. Recombinant peptides were reconstituted into assay buffer supplemented with 0.1% fatty acid free BSA (Sigma #A6003) and diluted into borosilicate glass tubes to maximize peptide recovery (Goebel-Stengel M, Stengel A, Tache Y, Reeve J R Jr., The importance of using the optimal plasticware and glassware in studies involving peptides. Anal. Biochem. 2011 Jul. 1, 414(1):38-46).
8803	2	GLP-1 Assay with EX-4 Synthetic Agonist	To assess the effects of test compounds on GLP-1 or glucagon potency and efficacy, a high-throughput calcium mobilization assay was used essentially as previously described (Morris L C, Days E L, Turney M, Mi D, Lindsley C W, Weaver C D, Niswender K D, A Duplexed High-Throughput Screen to Identify Allosteric Modulators of the Glucagon-Like Peptide 1 and Glucagon Receptors. J. Biomol. Screen. 2014 Feb. 13, 19(6):847-858). Briefly, human GLP-1R or Glucagon Receptor 9-3-H cells over-expressing a promiscuous G-protein (Millipore, Billerica, Mass.) were plated at 15,000 cells/well in black-walled 384-well plates (Greiner Bio-one, Monroe, N.C.) in Dulbecco&#39;s Modified Eagles Medium (DMEM) with 10% FCS, 4.0 mM L-glutamine, 1× non-essential amino acids (NEAAs), and 10.0 mM HEPES without antibiotics. After overnight attachment, cells were washed twice with assay buffer (HBSS supplemented with 20 mM HEPES and 1.0 mM probenecid) using an EL×405CW cell washer (Bio-Tek, Winooski, Vt.) and then loaded with the calcium sensitive dye fluo-4 AM (Invitrogen, Grand Island, N.Y.) at a final concentration of 2.0 &#956;M in assay buffer. After a 45-minute incubation at room temperature, the dye was removed by washing, leaving 20 &#956;L of assay buffer. Next, the cell plate was introduced alongside a 384-well compound plate containing 0.1% final DMSO control wells and 11-point concentration response curves of putative GLP-1 PAMs created using a non-pipet based liquid transfer instrument, ECH0555 (Labcyte, Sunnyvale, Calif.). After a 20 &#956;L compound addition to the appropriate wells, kinetic fluorescent measurements were collected for 2 minutes using an FDSS6000 (Hamamatsu, Bridgewater, N.J.) with 488 nm excitation and 480/540 emission filters. After 2 minutes, 10 &#956;L of an EC20 concentration of EX-4 (Phoenix Pharmaceuticals, Burlingame, Calif.), Glucagon (Phoenix Pharmaceuticals, Burlingame, Calif.) Exendin-4 (Tocris Bioscience, Bristol, UK), or Liraglutide (Victoza , Novo-Nordisk, Denmark) was added and fluorescence was monitored for an additional 2 minutes to observe potentiation of the calcium flux signal. Control wells for vehicle, EC20 peptide, and Emax peptide resided in columns #1 and 24 and rows H and I to account for any plate variations. Recombinant peptides were reconstituted into assay buffer supplemented with 0.1% fatty acid free BSA (Sigma #A6003) and diluted into borosilicate glass tubes to maximize peptide recovery (Goebel-Stengel M, Stengel A, Tach Y, Reeve J R Jr., The importance of using the optimal plasticware and glassware in studies involving peptides. Anal. Biochem. 2011 Jul. 1, 414(1):38-46).
8804	1	MKNK1 Kinase High ATP Assay	A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (SEQ ID NO: 1, C-terminus in amide form) was used, which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated for 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm were measured in a TR-FRET reader, e.g. a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition).
8805	1	Pharmaceutical Effect Mean Inhibitory Effect	ISBT Hu HEK Uptake SPA 13203 IBAT HUM Ileal Bile Acid Transporter Human HEK Glycocholic acid Uptake Radiometric SPA Inhibitor IC50 Mean IC50 (nM) was determined for the compounds of examples 1-14.
8806	1	In Vitro Inhibition of Intracellular Calcium Release	Briefly, human neutrophils were suspended in HBSS&#8722; (without Ca2+ and Mg2+) containing 10 mM HEPES and FLIPR Calcium 3 dye (3.1×107 cells in total volume 1.7 mL). Cells were aliquoted (200 &#956;L of the cell suspension per tube, 8 tubes total) and 2 &#956;L of compound 9 (with appropriate dilutions) were added to each of 6 tubes. The tested concentrations of compound 9 were 156 nM, 312 nM, 625 nM, 1250 nM, 2500 nM and 5000 nM. As controls, 2 &#956;L of DMSO (1% final concentration) were added to 2 other tubes. Cells were incubated for 30 min at 37° C. After dye loading, tubes were centrifuged at 6,000 rpm for 1 min, supernatant was removed and the cell pellet was re-suspended in 200 &#956;L of HBSS+ (with Ca2+ and Mg2+) containing 10 mM HEPES. The test compound or DMSO (control) was added again at the same concentrations that were used during cell loading. The cell suspension was aliquoted into a 96-well Reading Plate (Corning) in a volume of 90 &#956;L (105 cells/well). The Compound Plate contained agonist (GRO&#945; in HBSS&#8722;) or HBSS&#8722; (control). After 15 sec of reading the basal level of fluorescence by FlexStation II, 10 &#956;L of GRO&#945; or HBSS&#8722; were automatically transferred from the Compound Plate into the Reading Plate (final concentration of GRO&#945; was 25 nM). Changes in fluorescence were monitored (&#955;ex=485 nm, &#955;em=525 nm) every 5 s for 240 to 500 s at room temperature.The maximum change in fluorescence, expressed in arbitrary units over baseline (Max-Min), was used to determine the GRO&#945; response. The effect of each compound on the GRO&#945; response was normalized and expressed as a percent of the DMSO control, which was designated as 100% response. Curve fitting and calculation of the compound inhibitory concentration that reduces the level of the GRO&#945; response by 50% (IC50), or the compound agonist concentration that increases the level of the calcium release by 50% of the maximum agonist-induced change (EC50) were determined by nonlinear regression analysis of the dose-response curves generated using Prism 4 (GraphPad Software, Inc., San Diego, Calif.).
8807	1	Biochemical Assay for Inhibitors of FLT3 Kinase Activity	i. Enzyme The assay was performed using FLT3 cytoplasmic domain product and purified in house as GST fused protein. The FLT3 protein (1 microM) was pre activated with 800 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. FLT3 Kinase Buffer (KB) Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 4 mM MgCl2, 1 mM DTT, 10 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay conditions The FLT3 kinase assay was run with a final pre activated enzyme concentration of 2 nM, in the presence of 254 microM ATP (residual ATP from KIT pre activation step is negligible), 8 nM 33P-&#947;-ATP and 55 microM of substrate BioDB n*24 (Aminoacidic sequence: GGKKKVSRSGLYRSPSMPENLNRPR SEQ ID NO: 1). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).Compound Testingi. Compound Dilution For IC50 determination, test compounds were received as a 1 mM solution in 100% DMSO, distributed into 96 well plates: compounds were then plated into the first column of a microtiter plate (A1 to G1), 100 microL/well. An automated station for serial dilutions (Biomek FX, Beckman) was used for producing 1:3 dilutions in 100% DMSO, from line A1 to A10, and for all the compounds in the column. Moreover, 4-5 copies of daughter plates were prepared by reformatting 5 microL of this first set of 100% DMSO dilution plates into 384 deep well-plates: one of these plates with the serial dilutions of test compounds was thawed the day of the experiments, reconstituted at a 3× concentration with water and used in the IC50 determination assays. In a standard experiment, the highest concentration (3×) of all compounds was 30 microM, while the lowest one was 1.5 nM.Each 384 well-plate contained at least one curve of the standard inhibitor staurosporine and reference wells (total enzyme activity vs. no enzymatic activity) for the Z&#8242; and signal to background evaluation,ii. Assay Scheme 384-well plates, V bottom (test plates) were prepared with 5 microL of the compound dilution (3×) and then placed onto a PlateTrak 12 robotized station (Perkin Elmer; the robot had one 384-tip pipetting head for starting the assay plus one 96-tip head for dispensing the resin) together with one reservoir for the Enzyme mix (3×) and one for the ATP mix (3×). At the start of the run, the robot aspirated 5 &#956;l of ATP mix, made an air gap inside the tips (3 microL) and aspirated 5 microL of Enzyme mix. The following dispensation into the plates plus 3 cycles of mixing, done by the robot itself, started the kinase reaction. At this point, the correct concentrations were restored for all the reagents. The robot incubated the plates for 60 minutes at r.t., and then stopped the reaction by pipetting 60 microL of dowex resin suspension into the reaction mix. In order to avoid tip clogging, wide bore tips were used to dispense the resin suspension. Three cycles of mixing were done immediately after the addition of the resin. Another mixing cycle was performed after all the plates were stopped, this time using normal tips: the plates were then allowed to rest for about one hour in order to allow resin sedimentation. At this point, 27 microL of the supernatant were transferred into 384-Optiplates (Perkin-Elmer), with 50 microL of Microscipt 40 (Perkin-Elmer); after 5 min of orbital shaking the plates were read on a Perkin-Elmer Top Count radioactivity counter.iii. Data Fitting Data were analyzed by an internally customized version of the SW package Assay Explorer that provided sigmoidal fitting of the ten-dilutions curves for IC50 determination in the secondary assays/hit confirmation routines.
8807	2	Biochemical Assay for Inhibitors of KIT Kinase Activity	i. Enzyme The assay has been performed using KIT cytoplasmic domain product and purified in house as GST fused protein. The KIT protein (4.5 microM) was pre activated with 300 microM ATP for 1 hour at 28° C. in order to obtain a linear kinetic.ii. KIT kinase Buffer (KB) Kinase buffer was composed of 50 mM HEPES pH 7.9 containing 5 mM MgCl2, 1 mM MnCl2, 10 mM DTT, 3 microM Na3VO4, and 0.2 mg/mL BSAiii. Assay conditions The KIT kinase assay was run with a final pre activated enzyme concentration of 4 nM, in the presence of 4.4 microM ATP (residual ATP from KIT pre activation step is negligible), 3.9 nM 33P-&#947;-ATP and 2.5 microM of substrate BioDB n*138 (Aminoacidic sequence: KVVEEINGNNYVYIDPTQLPYDHKWEFPRNR SEQ ID NO: 2). The peptide was purchased from American Peptide Company (Sunnyvale, Calif.).Compound Testingi. Compound Dilution For IC50 determination, test compounds were received as a 1 mM solution in 100% DMSO, distributed into 96 well plates: compounds were then plated into the first column of a microtiter plate (A1 to G1), 100 microL/well. An automated station for serial dilutions (Biomek FX, Beckman) was used for producing 1:3 dilutions in 100% DMSO, from line A1 to A10, and for all the compounds in the column. Moreover, 4-5 copies of daughter plates were prepared by reformatting 5 microL of this first set of 100% DMSO dilution plates into 384 deep well-plates: one of these plates with the serial dilutions of test compounds was thawed the day of the experiments, reconstituted at a 3× concentration with water and used in the IC50 determination assays. In a standard experiment, the highest concentration (3×) of all compounds was 30 microM, while the lowest one was 1.5 nM.Each 384 well-plate contained at least one curve of the standard inhibitor staurosporine and reference wells (total enzyme activity vs. no enzymatic activity) for the Z&#8242; and signal to background evaluation,ii. Assay Scheme 384-well plates, V bottom (test plates) were prepared with 5 microL of the compound dilution (3×) and then placed onto a PlateTrak 12 robotized station (Perkin Elmer; the robot had one 384-tip pipetting head for starting the assay plus one 96-tip head for dispensing the resin) together with one reservoir for the Enzyme mix (3×) and one for the ATP mix (3×). At the start of the run, the robot aspirated 5 &#956;l of ATP mix, made an air gap inside the tips (3 microL) and aspirated 5 microL of Enzyme mix. The following dispensation into the plates plus 3 cycles of mixing, done by the robot itself, started the kinase reaction. At this point, the correct concentrations were restored for all the reagents. The robot incubated the plates for 60 minutes at r.t., and then stopped the reaction by pipetting 60 microL of dowex resin suspension into the reaction mix. In order to avoid tip clogging, wide bore tips were used to dispense the resin suspension. Three cycles of mixing were done immediately after the addition of the resin. Another mixing cycle was performed after all the plates were stopped, this time using normal tips: the plates were then allowed to rest for about one hour in order to allow resin sedimentation. At this point, 27 microL of the supernatant were transferred into 384-Optiplates (Perkin-Elmer), with 50 microL of Microscipt 40 (Perkin-Elmer); after 5 min of orbital shaking the plates were read on a Perkin-Elmer Top Count radioactivity counter.iii. Data Fitting Data were analyzed by an internally customized version of the SW package Assay Explorer that provided sigmoidal fitting of the ten-dilutions curves for IC50 determination in the secondary assays/hit confirmation routines.
8808	1	Inhibition assay	The inhibitor was screened against recombinant PL&#8203;pro&#8203;SARS and PL&#8203;pro&#8203;CoV2 at 37°Cin the assay buffer as described above. For steady state measurement the enzymes were incubated for 60min at 37°C with an inhibitor before adding the substrate to the wells. Eight different inhibitor concentrations were used. Value of the concentration of the inhibitor that achieved 50% inhibition (&#8203;IC&#8203;50&#8203;) was taken from the dependence ofthe hydrolysis velocity on the logarithm of the inhibitor concentration [I].
8809	1	Determination of kinetic parameters and the Ki of effective compounds using the FRET peptide	Kinetic parameters were obtained using various concentrations of FRET peptide in the fluorescent assay. The maximal velocity (Vmax) and Michaelis Menten constant (Km) were calculated from the Eadie Hofstee plot. If the type of inhibitionwas found to be competitive using a Lineweaver Burk double reciprocal plot, then the inhibitory constant (Ki) for 3CLpro was estimated using the equation:Ki = IC50/(1+[substrate]/Km).Plots were performed, and kinetic parameters were calculated, using Prism software (Graphpad Software, San Diego, CA).
8809	2	Measurement of SARS-CoV 3CLpro activity using FRET	To establish a high-throughput screening method, we designed a FRET peptide, Abz-SAVLQSGFRK-Dnp, as 3CLpro substrate. The FRET peptide was synthesized by Open Biosystems (Huntsville, AL). Inhibition of enzyme activity was assayed by preincubating the enzyme (20 nM) with the test compound (10 lM) in buffer B for 15 min at 25 C in 96-well plates, then adding 30 lM FRET peptide, incubating for another 15 min at 25 C, and measuring the cleaved product on a 96-well plate spectrophotometer (Safire, Tecan, Salzburg, Austria) using an excitation wavelength of 320 nm and an emission wavelength of 425 nm. Control reactions were carried out using the same reaction mixture without the test compound (no inhibition) or without the enzyme (blank). This method can also be used in an automatic robotic system for a high-throughput screen platform.
8810	1	titration assay	To identify inhibitors of TMPRSS2 that may be used directly in clinical studies or as lead compounds to develop targeted drugs, we screened several chemical libraries with active TMPRSS2 protease, the chromogenic TMPRSS2 peptide substrate Boc-Gln-Ala-Arg-MCA, and compound concentrations of 5 &#956;mol/L. We have used a similar approach to identify inhibitors of the hepsin protease.
8811	1	Determination of inhibition of SARS-CoV-2 Mproby 11r, 13a,and 13b	A fluorescent substrate harboring the cleavage site (indicated by the arrow, &#8595;) of SARS-CoV-2 Mpro(Dabcyl-KTSAVLQ&#8595;SGFRKM-E(Edans)-NH2; GL Biochem) and buffer composed of 20 mM Tris, 100 mM NaCl, 1 mM EDTA, 1 mM DTT, pH 7.3 was used for the inhibition assay. In the fluorescence resonance energy transfer (FRET)-based cleavage assay (14), the fluorescence signal of the Edans generated due to the cleavage of the substrate by the Mprowas monitored at an emission wavelength of 460 nm with excitation at 360 nm, using a Flx800 fluorescence spectrophotometer (BioTek).Initially, 2.5 uL of the SARS-CoV-2 or SARS-CoV Mproat the final concentration of 2.0 uM was pipetted into a 96-well plate containing pre-pipetted 22.5 uLreaction buffer. Afterwards, the reaction was initiated by addition of 25 uL of thesubstrate dissolved in the reaction buffer to 50 uL final volume, at different final concentrations varied from 5 to 640 uM (5, 10, 20, 40, 80, 160, 320, 640 uM). A calibration curve was generated by measurement of varied concentrations (from 0.15 to 20 uM) of free Edans in a final volume of 50 uL reaction buffer. Initial velocities were determined from the linear section of the curve, and the corresponding relative fluorescence units per unit of time (RFU/s) was converted to the amount of the cleaved substrate per unit of time (uM/s) by fitting to the calibration curve of free Edans.Inner-filter effect corrections were applied for the kinetic measurement saccording to (30). The fluorescence of the substrate (in RFU) dissolved in 50 uL final volume of reaction buffer at the corresponding concentrations used for the kinetic assay was measured and defined as f(substrate). Afterwards, 1 uL free Edans was added (final concentration: 5 uM) to each well, and the fluorescence reading was taken as f(substrate + Edans). Simultaneously, are ference value (in RFU)was measured with the same concentration of free Edans in 50 uL of reaction buffer, giving f(reference). Stock solutions of the compounds were prepared with 100% DMSO. For the determination of the IC50, 0.5 uM of SARS-CoV-2Mprowas incubated with 11r, 13a, or 13bat various concentrations from 0 to 100 uM in reaction buffer at 37 C for 10 min. Afterwards, the FRET substrate at a final concentration of 20 uM was added to each well at a final total volume of 50 uL to initiate the reaction. The GraphPad Prism 6.0 software (GraphPad) was used for the calculation of the IC50 values. Measurements of inhibitory activities of the compounds were performed in triplicate and are presented as the mean +/- SD.
8812	1	enzymatic assay	Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys (Dnp)-Lys-NH2, derived from the N-terminal auto-cleavage sequence from the viral protease was designed and synthesized for the enzymatic assay.
8812	2	plaque-reduction assay	In vitro inhibition of viral main protease inhibitors against SARS-CoV-2. (A and B) Vero E6 cells were treated with a series concentration of indicated compounds 11a and 11b and infected with SARS-CoV-2 at an MOI of 0.05. At 24 hours post infection, viral yield in the cell supernatant was quantified by plaque assay. The cytotoxicity of these compounds in Vero E6 cells was also determined by using CCK8 assays.
8813	1	Inhibition of SARS-CoV-2 PLpro by SARS-CoV PLpro Inhibitors	Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 50 &#956;M.3 The most potent of these four proved to be GRL-0617 with an IC50 of 2.4 &#956;M, followed by compound 6 with a low micromolar IC50 of 5.0 &#956;M toward SARS-CoV-2.
8814	1	3CLpro enzyme assay	The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 &#956;L and then miniaturized to 1536-well format. In 384-well plate format, 10 &#956;L enzyme in reaction buffer was added into each well, followed by the addition of 10 &#956;L substrate. Fluorescent intensity was measured at different time points on a PHERAstar FSX plate reader (BMG Labtech, Cary, NC, USA) with Ex=340 nm/Em=460 nm after the addition of substrate. The experiment was conducted at both room temperature (RT) and 37 °C.Steady-state kinetic parameters were evaluated using 50 nM 3CLpro and different concentrations of substrate. In brief, 10 &#956;L/well enzyme was added into 384-well plate. The reaction was then initialized by adding the substrate solutions at different concentrations. The substrate stock solution was serially diluted 1:2 to obtain seven concentrations. The final concentrations used in this test were 160, 80, 40, 20, 10, 5, and 2.5 &#956;M. The fluorescent intensity was measured at 5, 10, 15, and 30 min.
8814	2	SARS-CoV-2 CPE assay	SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expressing Vero E6 cells were inoculated with SARS-CoV-2 (USA_WA1/2020) at 0.002 M.O.I. After infection of 72 h at 37 °C and 5% CO2, the cell viability was examined with CellTiter-Glo ATP content assay kit (Promega, Madison, WI, USA). CPE raw data were normalized to non-infected cells and virus infected cells only which were set as 100% efficacy and 0 efficacy, respectively. In addition, the compound cytotoxicity was evaluated in the same cells by measuring ATP content in the absence of virus.
8815	1	FRET protease activity assay	PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using biochemical F rster Resonance Energy Transfer (FRET) protease activity assays.
8816	1	Biological Assay	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications.
8817	1	Inhibition Assay	Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 complex was prepared by co-expressing each of the 5 member proteins (FLAG-EZH2, EED, SUZ12, RbAp48, AEBP2) in Sf9 cells followed by co-purification. Enzyme activity was measured in a scintillation proximity assay (SPA) where a tritiated methyl group is transferred from 3H-SAM to a lysine residue on Histone H3 of a mononucleosome, purified from HeLa cells. Mononucleosomes were captured on SPA beads and the resulting signal is read on a ViewLux plate reader.
8818	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 M [&#947;-33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction was stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate was washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
8819	1	Inhibition Kinase Assay	The enzyme reaction (total volume 10 &#956;l) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluorescent labelled peptide [known as H236, which has the sequence: 5FAM-DHTGFLTEYVATR-CONH2] (5 &#956;M), ATP(10 &#956;M), either DMSO (1% v/v) or the test compound (in the range 0.25 nM-100 &#956;M in 1% DMSO) and assay buffer (50 mM HEPES (pH 7.0), 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovandate, 10 &#956;M MgCl2, 1 &#956;M DTT, Roche protease inhibitor). The reaction was carried out for 60 min at room temperature and stopped by the addition of buffer (10 &#956;l) containing 20 mM EDTA, 0.05% (v/v) Brij-35, in 0.1M HEPES-buffered saline (Free acid, Sigma, UK). The plate was read on a Caliper EZ reader II (Caliper Life Sciences).
8820	1	IMAP TR-FRET Assay	The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for 3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds were serial diluted in DMSO. With an intermediate dilution step with reaction buffer DMSO concentration was reduced to achieve 1% DMSO in the assay reaction. Setup of the assay started with 10 &#956;l enzyme (10 ng/well, depending on prep. batch), 5 &#956;l compound, reaction was started by addition of 5 &#956;l labeled cAMP (30 nM, final concentration), immediately mixed for 15 seconds on a Eppendorf mixmate (2000 rpm) followed by an incubation at room temperature for 90 minutes in the dark. Reaction is stopped by adding of 60 &#956;l binding buffer for FP/cAMP (kit component). After at least 90 min of further incubation (room temperature, dark) the assay was measured at 485 nm excitation/525 nm emission in an Envision multilabel reader (PerkinElmer)
8821	1	Inhibition Activity Assay	Screening Method:Name of method: Activity Evaluation of DPP4, Fluorescence.Instrument: Microplate reader, Envision (PerkinElmer, USA).Material: human DPP4, which was, in this experiment, obtained by using baculovirus expression system in insect cells. Substrate was Gly-Pro-AMC.Process:DPP4 can specifically hydrolyze the substrate, Gly-Pro-AMC to produce a product, AMC, which, excited by UV light at 355 nm, can produce emission light at 460 nm. Linear change of fluorescence values were dynamically measured at 460 nm wavelengths per unit time, thereby calculating DPP4 activity. MERK-0431 was used as a control compound in the experiment.
8822	1	Enzyme Assay	PI3K: The kinase reactions are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). 
8822	2	Scintillation Proximity Assay	PI3K&#948;:The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
8823	1	IC50 Determination	The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 &#956;M in duplicate assays containing the following assay buffer (50 mM HEPES, 0.1 mg/mL BSA, 0.01% TritonX-100, 1 mM DTT). The assays were carried out in Costar 3694 EIA/RIA 96-Well Half Area, Flat Bottom, Black Polystyrene plates from Corning Incorporated. 1 &#956;L of 100× inhibitor stock in DMSO was added to 79 &#956;L of enzyme in assay buffer and the enzyme-inhibitor mixture was incubated for 10 minutes. The reaction was initiated by the addition of 20 &#956;L of 10 &#956;M UIVT3 substrate, a custom synthesized F rster resonance energy transfer substrate peptide with the following sequence: HilyteFluor 488-ESARLQSGLRKAK-QXL520 -NH2, producing final concentrations of 100 nM and 100 &#956;M for the 3CLpro enzyme and UIVT3 substrate, respectively. The fluorescence intensity of the reaction was then measured over time as relative fluorescence units (RFUt) for a period of 10 minutes, using an excitation wavelength of 485 and bandwidth of 20 nm and monitoring emission at 528 and bandwidth of 20 nm using a BioTek Synergy H1 multimode microplate reader.
8824	1	Scintillation Proximity Assay	PI3K-&#947;:[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
8824	2	Scintillation Proximity Assay	PI3K&#948;:[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
13225	1	Inhibition of ACSL5 Enzyme Activity Assay	Inhibition of ACSL5 enzyme activity was monitored with a coupled enzyme Amplex Red assay. The assay is carried out in 384-well microtiterplates. In a total volume of 40 L, compounds are preincubated with 20 nM ACSL5, in a buffer containing 150 mM MOPS-NaOH, 12 mM MgCl2, 0.03% (v/v) Triton X-100, 2.79 U mL-1 Peroxidase and 24 U mL-1 Acyl-CoA Oxidase (pH 7.6). The reaction is started by the addition of substrate and co factors (25 μM oleate, 30 μM CoA, 1 mM ATP and 50 μM Amplex Red) and the fluorescence detected after 10 minutes at 25° C. with a fluorescence reader (BMG-Fluostar; BMG-Technologies) using an excitation wavelength of 535 nm and an emission wavelength of 590 nm.
8825	1	In Vitro Enzyme Inhibitory Activity	Samples:Controls: Gefitinib, erlotinib hydrochloride, purchased from Anqing worldchem Co., LTD.; lapatinib ditosylate, purchased from Taizhou Xingcheng Chempharm Co., Ltd.; CI-1033 hydrochloride, purchased from Shanghai hanxiangchem, Co., Ltd.; andThe present compounds: lab-made, their chemical names and structural formulae are shown in the preparation examples.Assay Procedures:The abbreviations used in the following assay have the following meanings:HEPES: hydroxyethyl piperazine ethanesulfonic acid;Brij-35: polyoxyethylene lauryl ether;DTT: dithiothreitol;Coating Reagent #3: #3 coating agent;EDTA: ethylene diamine tetraacetic acid, purchased from Sigma Co. Ltd.;FAM labeled peptide: fluorescein labeled peptide 22 (GL Biochem);ATP: adenosine triphosphate (Sigma);DMSO: dimethyl sulfoxide;EGFR: human epidermal growth factor receptor (Carna);HER2: human epidermal growth factor receptor 2 (Carna);HER4: human epidermal growth factor receptor 4 (Carna).1. Formulating the agents to be used in the assay(1) 1.25-fold MnCl2-free kinase buffer (62.5 mM HEPES, PH 7.5, 0.001875% Brij-35, 12.5 mM MgCl2, 2.5 mM DTT);(2) 1.25-fold MnCl2-containing kinase buffer (62.5 mM HEPES, pH 7.5, 0.001875% Brij-35, 12.5 mM MgCl2, 12.5 mM MnCl2, 2.5 mM DTT);(3) Stop buffer (100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA);(4) 2.5-fold kinase solutions (to the 1.25-fold kinase buffers were added the corresponding kinases to formulate 2.5-fold EGFR, HER2, HER4 kinase solutions);(5) 2.5-fold peptide solutions (to the 1.25-fold kinase buffers were added FAM labeled peptide and ATP to formulate the peptide solutions);(6) 5-fold compound solutions (using 100% DMSO to formulate 50-fold compound solutions having different concentration gradients, and diluting with water by 10 times to obtain 5-fold compound solutions having different concentration gradients);2. Adding 5 &#956;L of a 5-fold compound solution to a 384-well plate;3. Adding 10 &#956;L of a 2.5-fold kinase solution to incubate for 10 min;4. Then adding 10 &#956;L of a 2.5-fold peptide solution, and reacting at 28° C. for 1 h; and5. Finally, adding 25 &#956;L of stop buffer to terminate the reaction, and reading the data with Caliper.6. Curve fitting to obtain an IC50 value.The calculated inhibition ratio (%)=(the maximum conversion rate&#8722;the conversion rate)/(the maximum conversion rate&#8722;the minimum conversion rate)×100The curve fitting was conducted with the Xlfit software to obtain IC50 values.
8826	1	ALDH2 Assay	Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH 7.4, 0.01% Tween 20 in a final volume of 50 ul using 384-well plates. After 60 min of pre-incubation of compound with ALDH2 and formaldehyde, the reaction was started by adding NAD+ and the reaction mixture was allowed to proceed for 90 minutes. Activity of the enzyme was determined by monitoring NADH formation using Perkin-Elmer Envision Reader with excitation and emission wavelengths set at 340 and 460 nm, respectively. 
8826	2	MAO-A and MAO-B Assays	MAO assays included lumnuogenic MAO substrate, reaction buffers, Luciferin Detection and the reconstitution buffer with esterase. Standard MAO reaction mixtures included microsome contained MAO-A (2 ug) or MAO-B (10 ug), 160 uM substrate for MAO-A or 16 uM substrate for MAO-B, MAO-A buffer (100 mM Hepes buffer, pH 7.5, 5% glycerol) or MAO-B buffer (100 mM Hepes, pH 7.5, 5% glycerol, 10% dimethyl sulfoxide) in a final volume of 30 ul. After 20 minutes of pre-incubation of the enzyme with compounds, the reaction was initiated by adding enzyme substrate and the reaction was allowed to proceed for 60 minutes. Reconstituted Luciferin Detection Reagent (30 ul) was then added is added to simultaneously stop the MAO reaction and convert the methyl ester derivative to luciferin and produce light. The amount of light produced is directly proportional to the activity of MAO. The mixtures were further incubated for 20 minutes and activity of the enzyme was determined using Perkin-Elmer Envision Reader.Note: IC50 refers to the concentration of a compound that inhibits a reaction by 50%. In the case of competitive inhibition, IC50=2Ki when the substrate is present at the Km concentration, as per the relationship:Ki=IC50/[1+(substrate concentration/Km)]. 
8827	1	Measurement of Orexin Type 2 Receptor Agonist Activity	Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate (384 wells) (Becton, Dickinson and Company) by 10,000 cells, and cultured for 16 hr in an MEM-alpha (Nikken-Bio Co., Ltd.) medium containing 100 U/ml penicillin, 100 &#956;g/ml streptomycin, 0.5 g/ml G418 (all above Invitrogen), and 10% fetal calf serum (Thermo), under the conditions of 37° C., 5% CO2. After removal of the medium, 30 &#956;L of assay buffer 1 (0.1% bovine serum albumin (Wako Pure Chemical Industries, Ltd.), 1.25 mM probenecid, 10% B2-Quencher, 2.5 &#956;g/mL Fluo-4AM, 10 mM HEPES (DOJINDO)) was added, and the cells were incubated for 60 min under the conditions of 37° C., 5% CO2. A test compound was dissolved in dimethyl sulfoxide to 10 mM, and then diluted with assay buffer 2 (20 mM HEPES, Hanks&#39; balanced salt solution (Invitrogen), 0.1% bovine serum albumin). For the reaction, a test compound solution (10 &#956;L) was added using Fluorescent Imaging Plate Reader TETRA (FLIPR TETRA; manufactured by Molecular Devices), a fluorescence value (excitation wavelength 488 nm, measurement wavelength 570 nm) of each well was measured every one second for 1 min, and the agonist activity was determined using the area of the fluorescence value as an indicator of intracellular Ca2+ concentration. The agonist activity of the test compound was calculated assuming that the fluorescence value of the well added with only the dilution buffer was 0% and the fluorescence value of the well added with 10 nM human orexin B (PEPTIDE INSTITUTE, INC.) buffer was 100%. The agonist activity values EC50 and Emax of each compound are shown below. As used herein, Emax indicates the value at 30 uM concentration when orexin B is converted to a full agonist (maximum value of agonist activity: 100%). As is clear from the results, the compound of the present invention was shown to have an agonist activity on hOX2R.
8828	1	PARG Assay	PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by Astra Zeneca), used at a final reaction concentration of 80 &#956;M, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 10 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61 HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620×104 for each well and used to calculate percent inhibition for test compounds.
8828	2	ARH3 Assay	ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life Sciences: ALX-201-292), used at a final reaction concentration of 17.5 nM, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 30 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620×104 for each well and used to calculate percent inhibition for test compounds.
8828	3	PARP1 Assay	PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones. 5 ul of Human High specific Activity PARP1 (Trevigen: 4668-100-01) was used at a final reaction concentration of 0.02 units/ml in 1×PARP Buffer (Trevigen: 4671-096-02) with 5 ul of 1×PARP cocktail, which is a mixture of 10×PARP Cocktail (Trevigen: 4671-096-03), 10× Activate DNA (Trevigen: 4671-096-06) and 20×PARP Buffer (as above). The reaction was incubated at room temperature for 60 minutes to allow histones on the coated plate to become PARylated. The wells were then washed with PBS/0.1% Triton X100. PARP1 activity was then detected by measuring the extent of PARylation. Firstly, 10 ul of Streptavidin-HRP (Trevigen: 4800-30-06), diluted 1 in 250 in 1×PARG Assay Buffer (Trevigen: 4680-096-02), was added to each well and incubated at room temperature for 60 minutes. Secondly, following another wash with PBS/0.1% Triton X100, Peroxy Glow Reagents A and B (Trevigen: 4675-096-01 and 4675-096-02) were mixed in equal quantities immediately before use and 100 ul was added to each well. Luminescence signal was then measured immediately.
8829	1	HDAC Inhibition Assays	This example describes in vitro inhibition properties of exemplary HDAC11 inhibitors for various HDACs. HDAC inhibition assays were performed using an electrophoretic mobility shift assay at Nanosyn, Inc. (Santa Clara, Calif.). Full length human recombinant HDAC proteins were expressed in the baculoviral system and purified by affinity chromatography. A human recombinant HDAC3 was co-expressed with nuclear receptor corepressor (Ncor2). The following peptide substrates were used: FAM-RHKK(Ac)-NH2 for HDAC3, HDAC6 and HDAC8; FITC-H3K27(Ac)-NH2 for HDAC1, HDAC2 and HDAC10; FAM-RHKK(tri-fluor-Ac)-NH2 for HDAC4, HDAC5, HDAC7, HDAC9 and HDAC11. Reactions consisting of compound, enzyme, and substrate were performed in reaction buffer (comprised of 100 mM HEPES, pH7.5, 25 mM KCl, 0.1% bovine serum albumin, 0.01% Triton X-100) at 25° C. and quenched by the addition of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 0.05% SDS). The fluorescence intensity of the electrophoretically separated de-acetylated product and substrate peptide were measured and analyzed using the LabChip 3000 microfluidic electrophoresis instrument (Perkin Elmer/Caliper Life Sciences). The IC50 values of inhibitors were determined by fitting the %-inhibition curves with 4 parameter dose-response model using XLfit 4 software (IDBS).
8830	1	USP7 Assay A (Ubitquin-Rhodamine 110 Assay)	Each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP7, construct USP7 (208-1102) 6*His, Viva Biotech) in the assay was 62.5 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP7 for 30 min and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 min at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
8830	2	USP7 Assay B (Ubitquin-Rhodamine 110 Assay)	Each assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). For follow-up studies, 250 nL of an 8-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates for a final test concentration of 25 &#956;M-11 nM (1.25% DMSO final concentration). Unless otherwise indicated, all follow-up assays were run on triplecate plates. Enzyme (USP7, construct Met (208-1102)-TEV-6*His; Viva Q93009-1) concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was either 75 pM or 250 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems (biotechne)#U-555) concentration was 25 nM with [Ub-Rh110]<<Km. Pre-stamped with compounds were either not preincubated or preincubated with USP7 between 30 to 120 min prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for either 23 or 45 min at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).Data from USP7 Assays A and B were reported as percent inhibition (inh) compared with control wells based on the following equation: % inh=1&#8722;((FLU&#8722;AveLow)/(AveHigh&#8722;AveLow)) where FLU=measured Fluorescence. AveLow=average Fluorescence of no enzyme control (n=16). AveHigh=average Fluorescence of DMSO control (n=16). IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm included in the Activity Base software package: IDBS XE Designer Model205. Data is fitted using the Levenburg Marquardt algorithm.
8831	1	Kinase Assay	Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM DTT, pH7.5) and mixed and incubated in for 30 mins at rt. ERK1 & ERK2 were then activated by the addition of Fl-Substrate, ATP and metal solution and incubated for 1 h at rt. After 1 h, the reaction was terminated by the addition of 70 mL of Termination Buffer (QuickScout Screening Assist MSA; Carna Biosciences) to the well. The reaction mixture was applied to LabChip system (PerkinElmer), and the product and substrate peptide peaks were separated, analyzed and quantitated. 
8832	1	Biochemical Assay	Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid sequence: Ser-Gly-Arg-Gly-Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-N H2). Full-length PRMT5 enzyme (NCBI Reference sequence NP_006100.2) was co-expressed with His6-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatography (the enzyme).The 6 &#956;L assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM dithiothreitol, 200 nM peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37° C. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 min before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode.
8832	2	Revised Biochemical Assay	Compounds of the invention may be tested for in vitro activity in the following assay: A histone H4 derived peptide is used as substrate (amino acid sequence: Ser-Gly-Arg-Gly-Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-N H2). Full-length PRMT5 enzyme (NCBI Reference sequence NP_006100.2) was co-expressed with His6-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatography (the enzyme).The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode.
8833	1	Inhibition Assay	Each five kinds of substrates, human hepatic microsome, and a test drug in 50 mmol/L Hepes buffer as a reaction solution was added to a 96-well plate as the composition ad described above, NADPH, as a coenzyme was added to initiate metabolism reactions as markers and, after the incubation at 37° C. for 15 minutes, a methanol/acetonitrile=1/1 (V/V) solution was added to stop the reaction. After the centrifugation at 3000 rpm for 15 minutes, resorufin (CYP1A2 metabolite) in the supernatant was quantified by a fluorescent multilabel counter and tolbutamide hydroxide (CYP2C9 metabolite), mephenytoin 4&#8242; hydroxide (CYP2C19 metabolite), dextrorphan (CYP2D6 metabolite), and terfenadine alcohol (CYP3A4 metabolite) were quantified by LC/MS/MS.
8834	1	The screening assay for Wnt activity	SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/mL of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 10-point dose-response curves starting from 10 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well white solid bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. For Sp5-Luc reporter gene assays, the cells were plated at 4,000 cells/well in 384-well plates with a DMEM medium containing 1% fetal bovine serum, and 1% Penicillin-Streptomycin and incubated for 36 to 48 hours at 37° C. and 5% CO2. Following incubation, 15 &#956;l of BriteLite Plus luminescence reagent (Perkin Elmer) was added to each well of the 384-well assay plates. The plates were placed on an orbital shaker for 2 min and then luminescence was quantified using the Envision (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for EC50 calculations using the dose-response log (inhibitor) vs. response-variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 (or Dotmatics).
8834	2	The screening assay for DYRK1A kinase activity	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.00016 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) was calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation was then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))]. Dose-response curves were generated and inhibitory concentration (IC50) values were calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
8834	3	The screening assay for GSK3beta kinase activity	Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.0003 M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))].Dose-response curves are generated and inhibitory concentration (IC50) values are calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
8835	1	Cellular Necrosis Inhibition Activity	Compound (Ia) was prepared according to the general methods described above. Compound (Ia) and compound A (below) were screened for anti-necrotic activity utilizing human FADD-deficient Jurkat T cells challenged with human TNF-alpha. FADD&#8722;/&#8722; Jurkat cells (Juo P, et al. Cell Growth Differ. 1999, 10(12):797-804) were seeded at the density of 5*105 cells/mL into 96 well white plates (Costar) at 100 &#956;L/well. Compound A was identified as an inhibitor of necrosis in U.S. Pat. No. 7,491,743, the full disclosure of which is incorporated herein by reference in its entirety. Cells were treated in duplicate with various concentrations of test compounds in the presence or absence of 10 ng/ml human TNF-alpha. (Cell Sciences). The compounds were also tested in the presence of TNF-alpha and an Smac mimetic (10 nM of SM-164 (Lu et al, Cancer Res., 2008, 68:9384). Smac mimetics are a class of compounds that inhibit IAPs and are thought to induce autocrine TNF-alpha production and cell death.
8835	2	Cellular Necrosis Inhibition Activity	Compound (Ia) was prepared according to the general methods described above. Compound (Ia) and compound A (below) were screened for anti-necrotic activity utilizing human FADD-deficient Jurkat T cells challenged with human TNF-alpha. FADD&#8722;/&#8722; Jurkat cells (Juo P, et al. Cell Growth Differ. 1999, 10(12):797-804) were seeded at the density of 5*105 cells/mL into 96 well white plates (Costar) at 100 &#956;L/well. Compound A was identified as an inhibitor of necrosis in U.S. Pat. No. 7,491,743, the full disclosure of which is incorporated herein by reference in its entirety. Cells were treated in duplicate with various concentrations of test compounds in the presence or absence of 10 ng/ml human TNF-alpha. (Cell Sciences). The compounds were also tested in the presence of TNF-alpha and an Smac mimetic (10 nM of SM-164 (Lu et al, Cancer Res., 2008, 68:9384). Smac mimetics are a class of compounds that inhibit IAPs and are thought to induce autocrine TNF-alpha production and cell death. Accordingly, testing the compounds in the presence of Smac provides further evidence of necrosis inhibitory activity.
8835	3	RIP1 kinase assay	RIP1 kinase assays were performed using ADP-Glo assay (Promega) according to manufacturer&#39;s protocol. Reactions were performed in 50 mM HEPES, pH 7.5, 50 mM NaCl, 30 mM MgCl2, 1 mM DTT, 0.05% bovine serum albumin (BSA), 0.02% CHAPS buffer, containing 20 ng recombinant GST-human RIP1 kinase domain (amino acids 1-327), 50 mM ATP and 10 serial dilutions of inhibitors. Recombinant GST-RIP1 was generated using baculoviral expression system in Sf9 cells. Protein was purified by glutathione affinity chromatography, followed by size exclusion chromatography. Reactions were performed for 4 hr at room temperature and stopped by incubation with ADP-Glo reagent for 40 min at room temperature. Luminescent signal was developed by incubation with Kinase Detection reagent for 30 min at room temperature. Signal was determined using Victor3V platereader (Perkin Elmer). Non-linear regression to calculate EC50 values was performed using GraphPad Prism software package.
8836	1	Biological Assay 1: affinity of compounds to cIAP1-BIR3, cIAP2-BIR3, XIAP-BIR3	1) Affinity of compounds listed in table to cIAP1-BIR3, Ciap2-BIR3, XIAP-BIR3 was tested referring to Nikolovska-Colesks, Z. et.Al. (Analytical Biochemistry,2004,232:261-273) to obtain IC50 value. Generally speaking, in 10-dose IC50 mode, IAP antagonists with different concentrations were diluted in series by 3-fold and fluorescence labelled ARPFAQ-K (5-FAM)-NH2 peptide was used as probe to test compounds binding to protein BIR3 domain.2) Test condition: cIAP1-BIR3: 20 nM; cIAP2-BIR3: 60 nM; XIAP-BIR3: 30 nM; 5 nM probe in 100 mM tripotassium phosphate, pH 7.5, 0.1 mg/mL BSA, 0.005% Triton X100 and 0.5% DMSO.3) Test procedure: compounds were added into protein with different concentrations by using ECHO (LabCyte), and then the mixture was preincubated for 15 min. The probe was added and the final concentration was 5 nM. After incubating for 60 min, FP was tested and mP was calculated.
8836	2	TNF-alpha inducing NF-kappaB reporter	First day:Dilution of Compounds: 1) tested compounds were added into DMSO to give parent liquor (10 mM); 2) reference compound Birinapant (32 &#956;L, 10 mM) was added into DMSO (128 &#956;L) to give a solution (2 mM); 3) 0.5 &#956;L reference compound Birinapant (2 mM) and tested compounds (10 mM) were taken by Echo and added into Greiner 96 well black cell culture plate respectively. The initial concentration of the reference compound and tested compound was 10 &#956;M and 50 &#956;M, respectively. Then, the reference compound and tested compounds were diluted at 9 points in series by 5-fold; and every plate was repeated for 3 times. 4) the reference compound WXFL2012A001 (Birinapant) (final concentration: 10 &#956;M) as HPE and DMSO (final concentration: 0.5%) as ZPE.Second DayTNF-&#945; Inducing1) TNF-&#945; (100 &#956;g/mL) was diluted into 20 ng/mL with 0.1% FBS medium and transferredto the third plate with 100 &#956;L per well2) Removing medium of the first 96 well black cell culture plate (compound activity testing plate) after 24 h, replacing with fresh medium containing the compound and 20 ng/mL TNF-&#945; in the third plate3) Placing cell culture plate into cell incubator (37° C., 5% CO2) and incubatingfor 6 h4) after 6 h, compound&#39;s activity in the first plate was tested according to Bright-Glo (Promega) manual method, luciferase signal in each well was tested by Envision plate reader5) compound&#39;s cytotoxicity in the second plate was tested according to ATPlite 1Step (Perkin Elmer) manual method, luciferase signal in each well was tested by Envision plate reader6) analyzing with software to obtain EC50 of compound.
8837	1	Intracellular cAMP Accumulation Assay	HEK293 cells stably expressing human APJ receptor were used to assess the activity of compounds. Cultured cells were detached and resuspended in the cAMP Homogeneous Time-Resolved Fluorescence (HTRF) assay buffer (Cisbio cat; #62AM4PEJ). The assay was performed in 384-well assay plates (Perkin-Elmer; cat #6008289) according to assay protocol provided by the manufacturer. Serial dilutions of a compound together with assay buffer containing 0.2 nM IBMX and 2 &#956;M forskolin were added to each well containing 5,000 cells and incubated for 30 minutes at room temperature. Subsequently, cAMP D2 reagent was added in the lysis buffer followed by the EuK antibody (Cisbio; cat #62AM4PEJ) and incubated for 60 min. The fluorescence emission ratio was measured using fluorometer. The intracellular cAMP concentrations (compound-stimulated inhibition of forskolin-mediated cAMP production) were calculated by extrapolation from a standard curve using known cAMP concentrations. The EC50 values were obtained by fitting the data to a sigmoidal concentration-response curve with variable slope. The maximal achievable inhibition of forskolin-induced cAMP levels (Ymax) for each compound was expressed as relative percentage of inhibition attained using pyroglutamated apelin-13 ((Pyrl)apelin-13) peptide, which was set to 100%.
8838	1	Metabotropic Glutamate Receptor Activity	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiatior of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. Approximately two and a half minutes later, a concentration of mGluR4 orthosteric agonist (e.g. glutamate, L-AP4, or L-SOP) eliciting approximately 20% (EC20) of the maximal agonist response was added to the cells, and the response was measured. Two minutes later, a concentration of mGluR4 agonist (e.g. glutamate, L-AP4, or L-SOP) eliciting 80% (EC80) of the maximal agonist response was added to the cells, and the response was measured. For rat mGluR4/GIRK experiments, a baseline was established for approximately five seconds, disclosed compounds were added, and either an EC20 or EC80 concentration of agonist was added approximately two and one half minutes later. Potentiation or antagonism of the agonist response of mGluR4 by the disclosed compounds was observed as an increase or decrease in response to the EC20 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound. Similarly, potentiation or antagonism of the agonist response of mGluR4 by the disclosed compounds was observed as an increase or decrease in response to the EC80 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound.The above described assay operated in two modes. In the first mode, a range of concentrations of the disclosed compounds are added to cells, followed by a single fixed concentration of agonist. If the compound acts as a potentiatior, an EC50 value for potentiation and a maximum extent of potentiation by the compound at this concentration of agonist is determined by non-linear curve fitting. If the compound acts as an antagonist, an IC50 value is determined by non-linear curve fitting. In the second mode, several fixed concentrations of the disclosed compounds are added to various wells on a plate, followed by a range in concentrations of agonist for each concentration of disclosed compound. The EC50 values for the agonist at each concentration of compound are determined by non-linear curve fitting. A decrease in the EC50 value of the agonist with increasing concentrations of the sample compound (a leftward shift of the agonist concentration-response curve) is an indication of the degree of mGluR4 potentiation at a given concentration of the sample compound. A decrease in the maximal response of the agonist with increasing concentrations of the sample compounds, with or without a rightward shift in agonist potency, is an indication of the degree of antagonism at mGluR4. The second mode also indicates whether the sample compounds also affect the maximum response to mGluR4 to agonists.
8839	1	Human TAAR1 assay	For the construction of expression plasmids the coding sequences of human TAAR 1 were amplified from genomic DNA essentially as described by Lindemann et al.[14]. The Expand High Fidelity PCR System (Roche Diagnostics) was used with 1.5 mM Mg2+ and purified PCR products were cloned into pCR2.1-TOPO cloning vector (Invitrogen) following the instructions of the manufacturer. PCR products were subcloned into the pIRESneo2 vector (BD Clontech, Palo Alto, Calif.), and expression vectors were sequence verified before introduction in cell lines.HEK293 cells (ATCC # CRL-1573) were cultured essentially as described by Lindemann et al. (2005). For the generation of stably transfected cell lines HEK293 cells were transfected with the pIRESneo2 expression plasmids containing the TAAR coding sequences (described above) with Lipofectamine 2000 (Invitrogen) according to the instructions of the manufacturer, and 24 hrs post transfection the culture medium was supplemented with 1 mg/ml G418 (Sigma, Buchs, Switzerland). After a culture period of about 10 d clones were isolated, expanded and tested for responsiveness to trace amines (all compounds purchased from Sigma) with the cAMP Biotrak Enzyme immunoassay (EIA) System (Amersham) following the non-acetylation EIA procedure provided by the manufacturer. Monoclonal cell lines which displayed a stable EC50 for a culture period of 15 passages were used for all subsequent studies.cAMP measurements were performed as described previously (Revel et al., Proc. Natl. Acad. Sci. USA 2011, 108, 8485-8490). In brief, cells that expressed human TAAR1 were plated on 96-well plates (BIOCOAT 6640; Becton Dickinson, Allschwil, Switzerland) and incubated for 20 h at 37° C. Prior to stimulation of the cells with a broad concentration range of agonists for 30 min at 37° C., the cells were washed with PBS and preincubated with PBS that contained 1 mM 3-isobutyl-1-methylxanthine for 10 min at 37° C. and 5% CO2. Stimulation with 0.2% DMSO was set as the basal level, and the effect of 30 &#956;M &#946;-PEA was set as the maximal response. Subsequently, the cells were lysed, and cAMP assays were performed according to the manufacturer&#39;s instructions (cAMP kit; Upstate/Millipore, Schaffhausen, Switzerland). Finally, the plates were read with a luminometer (1420 Multilabel counter; PerkinElmer, Schwerzenbach, Switzerland), and the amount of cAMP was calculated. The results were obtained from at least three independent experiments. Experiments were run in duplicate or triplicate. EC50 values are presented as mean ±standard deviation (in &#956;M).
8839	2	Human ERG (hERG) assay	The whole-cell patch-clamp technique was used to investigate the effects of the test items on hERG (human-ether-a-go-go related gene) potassium channels in stably transfected CHO cells near physiological temperature (36±1° C.). The effects of compounds on hERG K+-current parameters were evaluated at 4 concentrations (0.3-3-30-300 &#956;M) in at least 3 CHO cells stably expressing the hERG channel. For electrophysiological measurements cells were seeded onto 35 mm sterile culture dishes containing 2 ml culture medium without Hygromycin B. Cells were cultivated at a density that enabled single cells (without visible connections to neighbouring cells) to be measured. Cells were incubated at 37° C. in a humidified atmosphere with 5% CO2 (rel. humidity about 95%). The cells were continuously maintained in and passaged in sterile culture flasks containing nutrient mixture F-12 (DMEM/F-12 with L-Glutamine) supplemented with 10% foetal bovine serum and 10% penicillin/streptomycin solution. Every day at least three cells were treated with a selective IKr blocker (E-4031, reference substance) to assure accuracy of the method. The 35 mm culture dishes upon which cells were seeded at a density allowing single cells to be recorded were placed on the dish holder of the microscope and continuously perfused (at approximately 1 ml/min) with the bath solution (sodium chloride 150 mM, potassium chloride 4 mM, calcium chloride 1.2 mM, magnesium chloride 1 mM, HEPES 10 mM, pH (NaOH) 7.4) at near physiological temperature (36±1° C.). After formation of a Gigaohm seal between the patch electrodes and individual hERG stably transfected CHO cells (pipette resistance range: 2.0 M&#937;-7.0 M&#969;; seal resistance range: >1 G&#969;) the cell membrane across the pipette tip was ruptured to assure electrical access to the cell interior (whole-cell patch-configuration). In case the quality of the seal was poor, the process of seal formation was repeated with a different cell and a new pipette. As soon as a stable seal was established, hERG outward tail currents were measured upon depolarization of the cell membrane to &#8722;40 mV for 50 ms followed by 500 ms at +20 mV (activation of channels) from a holding potential of &#8722;80 mV and upon subsequent repolarization to &#8722;40 mV for 500 ms. This voltage protocol was run at least 10 times at intervals of 10 s. If current density was judged to be too low for measurement, another cell was recorded. Once control recordings have been accomplished, cells were continuously perfused with a bath solution containing the test items. During wash-in of the test item the voltage protocol indicated above was run continuously again at 10 s intervals until the steady-state level of block was reached. The four test item concentrations of the compound were applied sequentially to 3 cells in a cumulative manner. As hERG tail currents were inhibited by the test item, the concentration-response curve was generated and ICso value calculated. Based on the IC50 value the IC20 was estimated.
8839	3	Human DAT assay	Binding to dopamine transporter (DAT) in vitro. Human embryonic kidney (HEK) 293 cells (Invitrogen, Zug, Switzerland) stably transfected with human DAT were cultured. The cells were collected and washed three times with phosphate-buffered saline (PBS). The pellets were frozen at &#8722;80° C. The pellets were then resuspended in 400 ml of 20 mM HEPES-NaOH, pH 7.4, that contained 10 mM EDTA at 4° C. After homogenization with a Polytron (Kinematica, Lucerne,Switzerland) at 10000 rotations per minute (rpm) for 15 s, the homogenates were centrifuged at 48000×g for 30 min at 4° C. Aliquots of the membrane stocks were frozen at &#8722;80° C. All assays were performed at least three times. The test compounds were diluted in 20 ml of binding buffer (252 mM NaCl, 5.4 mM KCl, 20 mM Na2HPO4, 3.52 mM KH2PO4, pH 7.4) and 10 point dilution curves were made and transferred to 96-well white polystyrene assay plates (Sigma-Aldrich, Buchs, Switzerland). [3H]-WIN35,428 ( 86 Ci /mmol; Perkin-Elmer) was the radioligand for the DAT assay and had a Kd of 12 nM. Fifty microliters of [3H]-WIN35,428 ( 40 nM concentration) was added to each well of the hDAT assay plates, targeting a final [3H]-WIN35428 concentration of 10 nM. Twenty microliters of binding buffer alone in the assay plate defined the total binding, whereas binding in the presence of 10 &#956;M indatraline defined nonspecific binding. Frozen DAT membrane stocks were thawed and resuspended to a concentration of approximately 0.04 mg protein/ml binding buffer (1:1 diluted in H2O) using a polytron tissue homogenizer. The membrane homogenates (40 &#956;g/ml) were then lightly mixed for 5-30 min with polyvinyl toluene (PCT) wheat germ agglutinin-coated scintillation proximity assay (WGASPA; Amersham Biosciences) beads at 7.7 mg beads/ml homogenate. One hundred thirty microliters of the membrane/bead mixture were added to each well of the assay plate that contained radioligand and test compounds (final volume in each well, 200 &#956;l) to start the assay, which was incubated for approximately 2 h at room temperature with agitation. The assay plates were then counted in the PVT SPA counting mode of a Packard Topcount. Fifty microliters of the [3H]-WIN35428 stocks were counted in 5 ml of ReadySafe scintillation cocktail (Beckman Industries) on a Packard 1900CA liquid scintillation counter to determine the total counts added to the respective assays. Non-linear regression was used to fit the data to sigmoid curves and determine IC50 values for binding and uptake. Ki values for binding and uptake were calculated using the following Cheng-Prusoff equation: Ki=IC50/(1+[S]/Km).
8840	1	R132H IDH1 Enzymatic Assay	Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is dispensed to a 384-well Greiner Lumitrac 200 assay plate using an Echo Liquid Handler. To each well of the plate is added 20 uL of enzyme in assay buffer or assay buffer alone. Assay buffer consists of 50 mM sodium phosphate, pH 7.0, 50 mM magnesium chloride, 50 mM sodium chloride, and 0.01% (w/v) bovine serum albumin. When present, the R132H mutant IDH1 enzyme is at a working concentration of 1.875 nM (final concentration in assay of 1.5 nM). The assay plate is allowed to incubate for 30 minutes at room temperature and 5 uL of 5× substrate mixture (2.5 uM nicotinamide adenine dinucleotide phosphate, 100 uM adenosine diphosphate, 7.5 mM glyceraldehyde-3-phosphate, 7.5 ug/mL of spinach glyceraldehyde-3-phosphate dehydrogenase, 25 nM phosphoglycerate kinase, and 5 mM alpha-ketoglutarate in assay buffer) is added to all wells. The reaction plate is incubated for 60 minutes followed by addition of 25 uL of Promega Kinase-GLO reagent to all wells and 10-minute incubation.Luminescence is measured using a PerkinElmer Envision plate reader. The percent activity of each dilution is determined as the ratio of background corrected signal to the background corrected signal of wells receiving only DMSO. IC50 values are determined by fitting percent activity data to a four-parameter logistic dose response equation. The IC50 values of the exemplified compounds are included in the tables above in Examples section.Using the above biological assay, all compounds in the examples have IC50 of about 1 nM to about 40,000 nM, or more specifically, about 1 nM to about 20,000 nM, or even more specifically, about 5 nM to about 15,000 nM, or even more specifically, about 5 nM to about 10,000 nM, or even more specifically, about 5 nM to about 5,000 nM, or still more specifically, about 5 nM to about 1,000 nM. Such a result is indicative of the intrinsic activity of the compounds in use as an inhibitor of a mutant IDH1 enzyme.
8841	1	Suv 39H2 Assay	Assay buffer (4 &#956;L) was added into all the wells, including test compound and control wells (except for Sinefungin control wells), using the Multidrop Combi. The plate was centrifuged at 1000 rpm for 1 min. Substrate mix (8 &#956;L) containing radiolabelled 3H-SAM (final conc: 100 nM) and H3 Histone Peptide (final conc: 350 nM) was added to all wells using Multidrop Combi and centrifuged at 1000 rpm for 1 min. SUV39H2 (8 &#956;L, final conc: optimized for each lot of the enzyme based on specific activity) was added by using the Multidrop Combi. The assay plate was centrifuged at 1000 rpm for 1 min. Assay buffer was used as background control, and incubated at room temperature for 3 hours. The reaction was stopped with 20 &#956;L of 2.5 mg/mL Streptavidin SPA beads (final conc. 50 &#956;g/well) in buffer using the Multidrop Combi and centrifuged for 1 min. The plate was loaded into the Trilux-Microbeta counter and a delayed read of 10 hours was made. The radioactive signal was measured at 1 min/well. Sinefungin and the internal standard compound were used as tool compounds to determine assay performance.
8842	1	Competitive FP Binding Assay	The Fluorescence Polarization (FP) competitive binding assays were performed to accurately determine the binding affinities of our DCN1 inhibitors. A novel FAM labeled fluorescent probe compound (46) was designed and synthesized based on one of our potent small molecule DCN1 inhibitors. Equilibrium dissociation constants (Kd) values of 46 to both DCN1 and DCN2 proteins were determined from protein saturation experiments by monitoring the total FP values of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Serial dilutions of proteins were mixed with 46 to a final volume of 200 &#956;l in the assay buffer (100 mM phosphate buffer, pH=6.5, with 0.02% Tween-20 and 2% DMSO). Final probe concentration was 5 nM for both assays. Plates were incubated at room temperature for 30 minutes with gentle shaking to assure equilibrium. FP values in millipolarization units (mP) were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific, Waltham, Mass.) at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. 
8843	1	Radioligand Binding Assay	Mouse: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4, 5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 60 g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. 
8843	2	Radioligand Binding Assay	Rat: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 g protein per ml) added. 
8844	1	Enzyme Activity Assay (pH=5.0)	The compounds in DMSO solution (0.5 &#956;L/well) were transferred to a black 96-well plate (the final titration started from 100 &#956;M, a 12 or 24-point 2-fold dilution series). Enzyme solution (33.5 &#956;L, 7.5 nM final concentration, in pH 5.9 buffer) was transferred to the wells. After 5 min of incubation at room temperature, the enzyme reaction was initiated by the addition of blue substrate (4MU-&#946;-Glc) (33 &#956;L/well). The final concentration of the blue substrate was 1.5 mM. The blue substrate reaction was terminated by the addition of 33 &#956;L/well stop solution (1 M NaOH and 1 M glycine mixture, pH 10) after 30 min of incubation at 37° C. The fluorescence was then measured in a Biotek Synergy H1 multi-mode plate reader with Ex=365 nm and Em=440 nm. The selected compounds were further assayed under pH 5.0 to evaluate their selectivity under various pH conditions.
8844	2	Enzyme Activity Assay (pH=5.9)	The compounds in DMSO solution (0.5 &#956;L/well) were transferred to a black 96-well plate (the final titration started from 100 &#956;M, a 12 or 24-point 2-fold dilution series). Enzyme solution (33.5 &#956;L, 7.5 nM final concentration, in pH 5.9 buffer) was transferred to the wells. After 5 min of incubation at room temperature, the enzyme reaction was initiated by the addition of blue substrate (4MU-&#946;-Glc) (33 &#956;L/well). The final concentration of the blue substrate was 1.5 mM. The blue substrate reaction was terminated by the addition of 33 &#956;L/well stop solution (1 M NaOH and 1 M glycine mixture, pH 10) after 30 min of incubation at 37° C. The fluorescence was then measured in a Biotek Synergy H1 multi-mode plate reader with Ex=365 nm and Em=440 nm. The selected compounds were further assayed under pH 5.9 to evaluate their selectivity under various pH conditions.
8844	3	Enzyme Activity Assay (pH=7.0)	The compounds in DMSO solution (0.5 &#956;L/well) were transferred to a black 96-well plate (the final titration started from 100 &#956;M, a 12 or 24-point 2-fold dilution series). Enzyme solution (33.5 &#956;L, 7.5 nM final concentration, in pH 5.9 buffer) was transferred to the wells. After 5 min of incubation at room temperature, the enzyme reaction was initiated by the addition of blue substrate (4MU-&#946;-Glc) (33 &#956;L/well). The final concentration of the blue substrate was 1.5 mM. The blue substrate reaction was terminated by the addition of 33 &#956;L/well stop solution (1 M NaOH and 1 M glycine mixture, pH 10) after 30 min of incubation at 37° C. The fluorescence was then measured in a Biotek Synergy H1 multi-mode plate reader with Ex=365 nm and Em=440 nm. The selected compounds were further assayed under pH 7.0 to evaluate their selectivity under various pH conditions.
8845	1	In Vitro Kinase Assay	Compound of the invention were screened in an in vitro kinase assay against several members of the TGF&#946; family of Ser/Thr kinases. The kinases tested were ALK1 (ACVRL1), ALK2 (ACVR1), ALK3 (BMPR1A), ALK4 (ACVR1B), ALK5 (TGFBR1), and ALK6 (BMPR1B). Standard kinase testing conditions and techniques were employed. For each case, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compound of the invention were delivered into the reaction, followed 15-20 min later by addition of a mixture of ATP and 33P ATP to a final concentration of 10 &#956;M. Reactions were carried out at RT for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper. Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. Kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle.
8846	1	In Vitro Bromodomain Inhibition Assay	To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (H4K5/8/12/16; AnaSpec #64989-025) with the target using the AlphaLISA technology (Perkin-Elmer). Specifically, in a 384 well OptiPlate, BRD4(BD1) (200 nM final) is pre-incubated with either DMSO (final 1.0% DMSO) or a compound dilution series in DMSO. All reagents are diluted in assay buffer containing 50 mM HEPES (pH 7.4), 100 mM NaCl, 0.1% (w/v) BSA, and 0.05% (w/v) CHAPS. After a 30 min incubation at rt, H4 peptide is added (200 nM final) and the reaction is incubated an additional 30 min at rt. Alpha streptavidin donor beads and AlphaLISA nickel chelate acceptor beads are then added to a final concentration of 10 &#956;g/mL each. After one hour, equilibration plates are read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
8847	1	Endpoint Assay	Human KLKB1 (0.01 U/mL; Enzyme Research Laboratories) or rat KLKB1 (0.625 nM; produced in-house) was incubated for 1 h at room temperature with 0.10 &#956;M fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Subsequently, PPACK 11 (Calbiochem) was added as a stop solution to achieve a final concentration of 1 &#956;M and fluorescence was measured using an Envision Reader (PerkinElmer) with the wavelength excitation setting of 355 nm and the wavelength emission setting of 460 nm.
8847	2	Inhibition Assay	Human KLKB1 (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm.
8848	1	Electrophysiology Assay	The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgCl2, 10 HEPES, 5 Glucose (pH 7.4). Patch pipettes with resistance between 2-5 Megaohms, when filled with a solution containing (in mM): 135 KCl, 1 EGTA, 1 MgCl2, 10 HEPES, 2 Na2ATP (pH 7.3), were used to form gigaseals. The cells were voltage clamped at &#8722;75 mV in whole-cell configuration using an Axopatch 200b or Multiclamp 700b (Molecular Devices) amplifier controlled by pClamp Software (Molecular Devices). The current was recorded by applying a voltage step to &#8722;120 mV every 10 seconds. For each compound, 4-6 concentrations were applied for 3-8 minutes in a successive manner starting with the lowest concentration. At the end of the experiment, the cells were perfused with bath solution containing 2 mM Ba2+ to isolate the contribution of hROMK current.
8849	1	Radioligand Binding Assay	Binding experiments to determine binding to NR2B-subtype NMDA receptors were performed on forebrains of 8-10 weeks old male Sprague Dawley rats (Harlan, Netherlands) using 3H Ro 25-6981 (Mutel V; Buchy D; Klingelschmidt A; Messer J; Bleuel Z; Kemp J A; Richards J G. Journal of Neurochemistry, 1998, 70(5):2147-2155. Rats were decapitated without anesthesia using a Guillotine (approved by animal ethics committee) and the harvested brains were snap-frozen and stored at &#8722;80° C. for 3-6 months for membrane preparation.For membrane preparation, rat forebrains were thawed on ice for 20 minutes in homogenization buffer composed of 50 mM KH2PO4 (pH adjusted to 7.4 with KOH), 1 mM EDTA, 0.005% Triton X 100 and protease inhibitor cocktail (Sigma Aldrich). Thawed brains were homogenized using a Dounce homogenizer and centrifuged at 48000×g for 20 min. The pellet was resuspended in cold buffer and homogenized again using a Dounce homogenizer. Subsequently, the homogenate was aliquoted, snap-frozen and stored at &#8722;80° C. for not more than 3-4 months.To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 &#956;g/well). The experimental compounds were serially diluted in 100% DMSO and added to each row of the assay plate to achieve desired compound concentrations, keeping the DMSO concentration in the assay plate at 1.33% of the final reaction volume. Next, 3H Ro 25-6981 (4 nM) was added to the assay plate. After incubation for 1 hr at room temperature, the membrane bound radioligand was harvested on to GF/B filter plates (treated with 0.5% PEI for 1 hr at room temperature). The filter plates were dried at 50° C. for 20 mins, incubated with microscint 20 for 10 minutes and finally, the counts were read on TopCount (Perkin Elmer). 
8850	1	Receptor Binding Assay	D2:Procedures(1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of buffer was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 &#956;L of membrane preparation and 100 &#956;L of buffer were added into each reaction tube.(3) 100 &#956;L of buffer was added into the total binding tube (TB), 100 &#956;L of Butaclamol (final concentration 10&#8722;5M) was added into the nonspecific binding tube (NB), 100 &#956;L of the test compound (final concentration 10&#8722;5M) was added into the specific binding tube (SB) of each test compound.(4) 10 &#956;L of radioactive ligand 3H-Spiperone was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample).(5) Each of the reaction tubes was incubated at 37° C. for 20 min. After the reaction was completed, the bound ligands were rapidly filtered under reduced pressure, and sufficiently washed with ice-chilled assay buffer. The filter was taken out and put into a 3 ml scintillation vial, and 2 ml of toluene scintillation cocktail was added and blended.(6) The scintillation vials were put into Liquid Scintillation Counter for counting.Inhibition rate(I%)=(Total binding tube cpm&#8722;compound cpm)/(Total binding tube cpm&#8722;nonspecific binding tube cpm)×100% .
8850	2	Receptor Binding Assay	5-HT1A: (1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of buffer was added to give 50 ml of membrane suspension, which was reserved for future use. (2) 100 &mu;L of membrane preparation and 100 &mu;L of buffer were added into each reaction tube. (3) 100 &mu;L of buffer was added into the total binding tube (TB), 100 &mu;L of 5-HT (final concentration 10-5M) was added into the nonspecific binding tube (NB), 100 &mu;L of the test compound (final concentration 10-5M) was added into the specific binding tube (SB) of each test compound. (4) 10 &mu;L of radioactive ligand 3H-8-OH-DPAT was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample). (5) Each reaction tube was incubated at 37&deg; C. for 10 min; after the reaction was completed, the bound ligands were rapidly filtered under reduced pressure, and sufficiently washed with ice-chilled assay buffer. The filter was taken out and put into a 3 ml scintillation vial, and 2 ml of toluene scintillation cocktail was added and blended.
8850	3	Receptor Binding Assay	5-HT2A:(1) The prepared membrane was applied with buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of buffer was added to give 50 ml of membrane suspension, which was reserved for future use.(2) 100 &#956;L of membrane preparation and 100 &#956;L of buffer were added into each reaction tube.(3) 100 &#956;L of buffer was added into the total binding tube (TB), 100 &#956;L of Methysergide (final concentration 10&#8722;5M) was added into the nonspecific binding tube (NB), 100 &#956;L of the test compound (final concentration 10&#8722;5M) was added into the specific binding tube (SB) of each test compound.(4) 10 &#956;L of radioactive ligand 3H-Ketanserin was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample).(5) Each of the reaction tubes was incubated at 37° C. for 15 min. After the reaction was completed, the bound ligands were rapidly filtered under reduced pressure, and sufficiently washed with ice-chilled assay buffer. The filter was taken out and put into a 3 ml scintillation vial, and 2 ml of toluene scintillation cocktail was added and blended.(6) The scintillation vial were put into Liquid Scintillation Counter for counting.Inhibition rate(I%)=(Total binding tube cpm&#8722;compound cpm)/(Total binding tube cpm&#8722;nonspecific binding tube cpm)×100% .
8850	4	Receptor Binding Assay	5-HT7: (1) The prepared membrane was applied with buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of buffer was added to give 50 ml of membrane suspension, which was reserved for future use. (2) 100 &mu;L of membrane preparation and 100 &mu;L of buffer were added into each reaction tube. (3) 100 &mu;L of buffer was added into the total binding tube (TB), 100 &mu;L of ( )-pindolol (final concentration 10-5M) was added into the nonspecific binding tube (NB), 100 &mu;L of the test compound (final concentration 10-5M) was added into the specific binding tube (SB) of each test compound. (4) 10 &mu;L of radioactive ligand 3H-5-CT was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample). (5) Each of the reaction tubes was incubated at 25&deg; C. for 120 min. After the reaction was completed, the bound ligands were rapidly filtered under reduced pressure, and sufficiently washed with ice-chilled assay buffer. The filter was taken out and put into a 3 ml scintillation vial, and 2 ml of toluene scintillation cocktail was added and blended.
8850	5	Receptor Binding Assay	Histamine H1: (1) The prepared membrane was applied with appropriate amount of buffer, and homogenizer was used for evenly dispersing. 15 tubes were mixed into a 100 ml container, and appropriate amount of buffer (potassium dihydrogen phosphate 1.36 g, 0.1 mol/L sodium hydroxide 79 ml, metered to 200 ml with double-distilled water) was added to give 50 ml of membrane suspension, which was reserved for future use. (2) 100 uL of membrane preparation was added into each reaction tube. (3) 100 uL of buffer was added into the total binding tube (TB), 100 uL of promethazine (final concentration 10-5M) was added into the nonspecific binding tube (NB), 100 uL of the test compound (final concentration 10-5M) was added into the specific binding tube (SB) of each test compound. (4) 10 uL of radioactive ligand 3H-pyrilamine was respectively added into each reaction tube (2 parallel tubes were used for each reaction tube, and each of them was placed on ice when adding sample). (5) Each of the reaction tubes was incubated at 30&deg; C. for 60 min. After the reaction was completed, the bound ligands were rapidly filtered under reduced pressure, and the ice-chilled assay buffer was used for adequate washing. The filter was taken out and put into a 3 ml scintillation vial, and 2 ml of toluene scintillation solution was added and blended. 2* Isotope ligand [3H]-5-CT (85.4 Ci/mmol) was purchased from PerkinElmer Company; (+-)-pindolol was purchased from RBI Company; GF/C glass fiber filter paper was purchased from Whatman Company; Tris was imported and divided into aliquots; PPO and POPOP were purchased from Shanghai No. 1 Reagent Factory; liposoluble scintillation cocktail was purchased from Shanghai Reagent Factory. Beckman LS-6500 Multi-function Liquid Scintillation Counter was used.
8851	1	TDO and IDO Biochemical Coupled Assay	Recombinant human IDO or TDO was incubated in 50 mM KPO4 (pH 7.0), 0.5 mM EGTA, 0.5 mM EDTA, 0.05% Triton X100, 20 mM ascorbate, 10 &#956;M methylene blue, 500 U/ml catalase, 50 &#956;g/ml KynB (kynurenine formamidase). TDO assays were carried out in the presence of 330 &#956;M L-tryptophan, while IDO assays had the addition of 45 &#956;M L-tryptophan. After incubation for 17 minutes at room temperature the reactions were stopped by the addition of Erhlich&#39;s reagent and incubated at room temperature for 5 minutes before the fluorescence was read (Ex 475, Em530).
8851	2	IDO1 Enzyme Assay 	Compounds to be tested were serially diluted in ten 3-fold steps in DMSO starting from 10 mM DMSO stocks. Compound dilutions or DMSO alone were then dispensed from the dilution plate into a Greiner black 384-well assay plate (catalog #781086) using an Echo 555 acoustic liquid handler (Labcyte).HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 &#956;M delta aminolevulinic acid for 48 hours at 16 degrees Celcius. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 uM methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDOL concentration of 40 nM. IDOL solution (30 uM) or buffer alone (30 uM) were dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at room temperature for 30 minutes. Afterwards, 10 &#956;L of 400 &#956;M tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at room temperature for 60 minutes and reactions were quenched by addition of 10 &#956;L of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37 degrees Celcius for 4 hours or 50 degrees Celcius for 2 hours. The plates are allowed to cool and then centrifuged for 1 minute at 1000×g. The resulting fluoresence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.The fluoresence intensity of each well was corrected for the background observed in wells that did not receive IDO1 and was expressed as a fraction of the intensity observed in wells that received IDO1 enzyme and DMSO only. Potencies were calculated by linear least squares fit to the four parameter logistic IC50 equation.
8852	1	Fluorescence Polarization Anisotropy (FPA) Assay	A fluorescence polarization anisotropy (FPA) assay that measures the displacement of either a FITC-labeled MLL-derived peptide or a more potent 10mer-Thr-FAM probe in response to compound treatmen. The assay is run in 384-well format and is read on a BioTek Cytation. Compounds are run as 2 replicates on the left and right sides of the plate; therefore a plate can accommodate 16 compounds in a 10-point, 3-fold dilution scheme, plus positive and negative controls. Replicate values are fit to a 4-parameter fit in XLFit to generate a single IC50 value for each compound that is then converted to a Ki value. Experiments are repeated to generate a 2nd, independent Ki value; values from the two experiments are averaged to produce the reported Ki value for the compound. The assay performs with an average Z&#8242; value of 0.7, and is tolerant of up to 5% DMSO.
8853	1	Enzymatic Assay	PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incubated with different concentrations of compounds in a buffer containing 100 mM Tris-HCl pH 8.0, 100 mM NaCl, 20 mM MgCl2, and 1% DMSO for 30 min at RT. The auto-PARylation reaction was initiated by addition of 500 nM NAD and 20 ng/ul activated DNA (Sigma) and incubated at RT for 40 min. The remaining NAD was detected by incubation with cycling assay solution containing 1% ethanol, 0.30 U/ml alcohol dehydrogenase, 25 uM resazurin, and 0.25 U/ml diaphorase for 50 min at RT. The concentration of NAD is proportional to the fluorescence signal at Ex540 nm/Em 590 nm. The IC50s were calculated based on residual enzyme activity (the rate of NAD decrease) in presence of increasing concentrations of compounds.
8853	2	Enzymatic Assay	PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with the kits. Briefly, histones were coated in a high binding plate first, and incubated with PARP-2 or PARP-3, and increasing concentrations of compounds for 0.5h. Then, biotinylated NAD and activated DNA were added to the wells. The biotinylated PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. The IC50s were calculated based on residual enzyme activity in presence of increasing concentrations of compounds.
8853	3	Enzymatic Assay	Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GST-fused tankyrase-2 (recombinant protein expressed and purified from Bacluovirus) were coated on a GSH-precoated plate first, and incubated with increasing concentrations of compounds for 0.5 h. Then, biotinylated NAD was added to the wells. The biotinylated auto-PARylation product was measured by adding streptavidin-HRP and HRP substrates which produce chemiluminescence. The IC50s were calculated based on residual enzyme activity in presence of increasing concentrations of compounds.
8854	1	Enzyme Immuno Assay	RIPK1 protein was over-expressed in HEK293 cell line, to which lysis buffer (50 mM Tris-Cl [pH 8.0], 150 mM NaCl, 1 mM EDTA, 1% NP-40, 0.4 mM phenylmethylsulfonyl fluoride (PMSF)) was added for cell lysis. Centrifugation was performed at 13,000 rpm for 10 minutes to separate the supernatant. RIPK1 monoclonal antibody (610459, BD Bioscience) and A/G agarose beads (sc-2003, Santa Cruz Biotechnology) were added thereto, followed by immuno-precipitation in a 4° C. rotator for 12 hours.The compounds of examples of the invention were diluted at the different concentrations of 10 &#956;M 0.05 &#956;M (10, 5, 1, 0.5, 0.1, 0.05 uM) and mixed with the immuno-precipitated RIPK1 enzyme, followed by reaction in a 24° C. constant-temperature water bath for 15 minutes. Additional reaction was induced for 30 minutes at 30° C. after 100 &#956;M of ATP and 10 &#956;Ci[32P] &#947;-ATP were added thereto. The reaction mixture was washed with buffer once, to which protein loading buffer was added, followed by heating at 100° C. for 3 minutes. The reaction mixture was then loaded on 8% SDS-PAGE gel. Radioactive image of the phosphorylated RIPK1 was detected with FLA-7000 (GE healthcare).
8855	2	antiviral activity	Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured by a cell viability assay similar to that described in Borenfreund, E., and Puerner, J. 1985. Toxicity determined in vitro by morphological alterations and neutral red absorption Toxicology Letters. 24:119-124, utilizing neutral red stainipg as an endpoint. Briefly, medium containing appropriate concentrations of compound or medium only is added to Vero cells. Cells are infected with SARS-associated virus or mock-infected with medium only. One to seven days later, the medium is removed and medium containing neutral red is added to the test plates. Following incubation at 37°C for two hours, cells are washed twice with PBS and a 50% EtOH, 1% acetic acid solution is added. The cells are shaken for 1 to 2 minutes and incubated at 37°C for 5 to 10 minutes. The amount of neutral red is quantified spectrophotometrically at 540nm. Data is expressed as the percent of neutral red in wells of compound-treated cells compared to neutral red in wells of uninfected, compound-free cells. The fifty percent effective concentration (EC50) is calculated as the concentration of compound that increases the percent of neutral red production in infected, compound-treated cells to 50% of that produced by uninfected, compound-free cells. The 50% cytotoxicity concentration (CC50) is calculated as the concentration of compound that decreases the percentage of neutral red produced in uninfected, compound-treated cells to 50% of that produced in uninfected, compound-free cells. The therapeutic index is calculated by dividing the cytotoxicity (CC50) by the antiviral activity (EC50).
8855	1	Coronavirus 3C Protease FRET Assay	The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-OH . The fluorescence of the cleaved TAMRA (ex. 558 nm / em. 581 nm) peptide was measured using a TECAN SAFIRE fluorescence plate reader over the course of 10 min. Typical reaction solutions contained 20 mM HEPES (pH 7.0), 1 mM EDTA, 4.0 uM FRET substrate, 4% DMSO and 0.005% Tween-20. Assays were initiated with the addition of 25 nM SARS 3CLpro (nucleotide sequence 9985-10902 of the Urbani strain of SARS coronavirus complete genome sequence (NCBI accession number AY278741)). Percent inhibition was determined in duplicate at 0.001 mM level of inhibitor. Data was analyzed with the non-linear regresssion analysis program Kalidagraph using the equation: FU = offset + (limit)(1- e"(kobs,t) where offset equals the fluorescence signal of the uncleaved peptide substrate, and limit equals the fluorescence of fully cleaved peptide substrate. The kobs is the first order rate constant for this reaction, and in the absence of any inhibitor represents the utilization of substrate. In an enzyme start reaction which contains an irreversible inhibitors, and where the calculated limit is less than 20% of the theoretical maximum limit, the calculated kobs represents the rate of inactivation of coronavirus 3C protease. The slope (kobs/ 1) of a plot of kobs vs. [I] is a measure of the avidity of the inhibitor for an enzyme. For very fast irreversible inhibitors, kobs/l is calculated from observations at only one or two [I] rather than as a slope.
8856	1	TLR7 Agonist Activity Assay	Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) reporter transgene were suspended in a non-selective, culture medium (DMEM high-glucose (Invitrogen), supplemented with 10% fetal bovine serum (Sigma)). HEK-Blue TLR7 cells were added to each well of a 384-well tissue-culture plate (15,000 cells per well) and incubated 16-18 h at 37° C., 5% CO2. Compounds (100 nl) were dispensed into wells containing the HEK-Blue TLR cells and the treated cells were incubated at 37° C., 5% CO2. After 18 h treatment ten microliters of freshly-prepared Quanti-Blue reagent (Invivogen) was added to each well, incubated for 30 min (37° C., 5% CO2) and SEAP levels measured using an Envision plate reader (OD=620 nm). The half maximal effective concentration values (EC50; compound concentration which induced a response halfway between the assay baseline and maximum) were calculated.
8856	2	Interleukin 6 Induction Assay	Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid handling technology (25 nL per well). Human whole-blood samples (25 uL) were added to each well using a CyBio FeliX liquid handling instrument. The plate was shaken on a plate shaker for three min before incubating the reaction mixtures at 37° C. for 20 h. Basel RPMI 1640 medium (supplemented with L-glutamine) was then added to each well (25 uL per well) prior to liberating plasma from each sample by centrifugation (450×g, 5 min, ambient temperature). Treated plasma samples (3 uL) were subsequently transferred to individual wells of a white, shallow, 384-well ProxiPlate (Perkin Elmer) using the FeliX liquid handling instrument and their interleukin 6 levels were measured using AlphaLISA technology as described by the manufacturer, PerkinElmer. Data analyses software was used to determine compound EC50 values where the baseline was established using average DMSO values and 100% induction established using reference compound values at the highest concentration tested. EC50&#39;s can be determined with software such as Graphpad Prism.
8858	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (1×PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. The Kds were determined using a compound top concentration of 30,000 nM. Kd measurements were performed in duplicate.
8859	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
8860	1	TR-FRET Assay	LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions were performed for 50 minutes at room temperature in a 10-&#956;L volume. Five microliters of 8 &#956;M biotinylated H3K4me1 peptide solution was added to each well of a black 384 well, clear-bottom assay plate containing 80 nL compound (final concentration of 0.8% DMSO and 4 &#956;M substrate). Reactions were initiated by the addition of a mixture containing 20 nM LSD1 and 80 nM FAD (5 &#956;L). LSD1 and FAD final concentrations were 10 and 40 nM, respectively. Enzyme activity was stopped by the addition of 90 &#956;L of high salt buffer consisting of 50 mM HEPES pH 7.4, 500 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. Ten microliters of the quenched reaction mixtures were transferred to a black 384 well ProxiPlate. Ten microliters of detection mixture was added to the ProxiPlate, Europium-labeled antibody and Streptavidin APC were used at final concentrations of 0.3 nM and 200 nM, respectively (total assay volume of 20 &#956;L). Capture of the product peptide by the anti-H3K4me0 antibody and Streptavidin APC was allowed to proceed for 60 min at room temperature before measuring the TR-FRET signal. 
8861	1	Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.84 compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was pre-incubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.
8861	2	Enzyme Assay	Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader.
8862	1	 Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK-1 inhibition is performed in 384-well format based on luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK1 (0.3 &#956;g/ml) and serial diluted compounds in DMSO (range of concentration from 10 &#956;M to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%. The kinase reaction is then initiated by the addition of ATP at a concentration of 1 &#956;M. After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a luminometer (PerkinElmer Envision or equivalent reader).
8862	2	 Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International). Measurement of IRAK-4 inhibition is performed in 384-well format based on a luminescence assay (ADP-Glo Kinase Assay from Promega). Purified human recombinant IRAK4 (0.3 &#956;g/ml) and serial diluted compounds in DMSO (range of concentration from 10 &#956;M to 0.5 nM) or controls (1% DMSO) are incubated for 15 minutes at RT in assay buffer containing 50 mM Hepes pH 7.0, Fatty acid-free BSA 0.1%, Dithiothreitol (DTT) 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton X-100 0.01%, MnCl2 5 mM. The kinase reaction is then initiated by the addition of ATP (2 &#956;M) and the peptidic substrate STK1-biotin peptide (300 nM). After 2 hours of incubation at RT, the reaction is stopped and the unconsumed ATP depleted by the addition of ADP-Glo Reagent according to supplier instructions. After 40 minutes of incubation at RT, the Kinase Detection Reagent is then added to the assay plate according to supplier instructions. After 20 minutes of incubation at RT, the luminescence signal is measured with a plate-reading luminometer (PerkinElmer Envision or equivalent reader).
8863	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to a 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ 171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. 
8864	1	In Vitro Assay	Briefly, bulk histones, histone peptides or nucleosomes are incubated with purified human recombinant KDM1A, in the histone demethylase activity (HDM) assay buffer 1 (50 mM Tris pH 8.5, 50 mM KCl, 5 mM MgCl, 0.5% BSA, and 5% glycerol) from 30 minutes to 4 hours at 37° C. A typical reaction is conducted in 100 microliters in which either 20 micrograms of purified bulk histones or 3 micrograms of modified histone peptides are used as substrates. Different amounts of KDM1A ranging from 1-20 micrograms are used in the reaction along with, as necessary, other co-factors such as FAD or CoREST, depending on the chosen substrate. The reaction mixture is analyzed by SDS-PAGE and Western blotting using histone methyl-specific antibodies or by formaldehyde formation assay to examine the removal and conversion of the methyl group to formaldehyde, or by mass spectrometry in the case of peptide substrates to identify the demethylated histone peptide.
8865	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
8866	1	Kinase Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl (Autophosphorylation of Axl was carried out by incubating the recombinant Axl protein in buffer containing 50 mM Tris, pH7.5, 0.2 mg/ml Axl, 5 mM ATP, 20 mM MgCl2 and 2 mM DTT at room temperature for 1 hour.), or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
8867	1	Biochemical Assay	The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode. 
8868	1	Alphascreen Binding Assay	Binding of compounds of formula (I) with bromodomain 2, 3 4 was assessed using Alphascreen binding assay. The inhibition of the interaction between bromodomain and its acetylated target protein (Filippakopoulos P et al. 2012) was measured quantitatively using recombinant BRD proteins, an acetylated Histone 4 peptide and AlphaScreen technology. In absence of inhibition the BRD protein bound to AlphaScreen nickel chelate acceptor beads can interact with the acetylated Histone 4 peptide which is immobilized by the AlphaScreen Streptavidin coated beads. This interaction brings donor and acceptor beads in proximity. The close proximity allows the singlet oxygen produced by laser excitation of the donor beads to reach the acceptor beads and generate a luminescence signal. BRD inhibitors result in a decrease in the proximity signal through an inhibition of the BRD-acetylated peptide interaction.Recombinant human bromodomains containing the N-terminal bromodomain (BRD2-BD1 (71-194), BRD3-BD1 (24-144) and BRD4-BD1 (44-164)) or dual bromodomains (BRD4-BD12 (1-477), BRD4-BD12 (1-472)) were prepared and purified as described in protein expression and purification session. 
8869	1	In vitro enzymatic HDACs assays	All Examples were tested in HDAC1, 2, 3, 6 and 8 in vitro enzymatic assays. The assay principle is well known (Hauser et al. 2009, Bradner et al. 2010) and all necessary reagents like enzymes, substrates, developer and reference compounds are commercially available (see e.g. BPS Biosciences http://www.bpsbioscience.com/). A series of dilutions of the compounds were prepared with a top concentration of 200 &#956;M (2 &#956;M for HDAC6). The enzymatic reactions were conducted in a mixture containing assay buffer, bovine serum albumin, HDAC substrate, and a test compound. After enzymatic reaction, developer was added and after an additional incubation time, fluorescence intensity was measured at an excitation wavelength of 360 nm and an emission wavelength of 460 nm. A selection of the Examples were tested in a full HDAC panel containing HDAC1, 2, 3, 4, 5, 6, 7, 8, 9, 10 and 11 in vitro enzymatic assays. The tests were performed as above except that a series of dilutions of the compounds were prepared with a top concentration of 10 &#956;M for all HDACs.
8870	1	Receptor Binding of PEG-Nalbuphine Conjugates	Briefly, the receptor binding affinity of the nalbuphine and PEG-nalbuphine conjugates was measured using radioligand binding assays in CHO cells that heterologously express the recombinant human mu, delta or the kappa opioid receptor. Cells were plated in 24 well plates at a density of 0.2-0.3*106 cells/well and washed with assay buffer containing 50 mM Tris.HCl and 5 mM MgCl2 (pH 7.4). Competition binding assays were conducted in whole cells incubated with increasing concentrations of test compounds in the presence of appropriate concentration of radioligand. 0.5 nM 3H Naloxone, 0.5 nM 3H Diprenorphine and 0.5 nM 3H DPDPE were used as the competing radioligands for mu, kappa and delta receptors respectively. Incubations were carried out for two hours at room temperature using triplicate wells at each concentration. At the end of the incubation, cells were washed with 50 mM Tris HCl (pH 8.0), solubilized with NaOH and bound radioactivity was measured using a scintillation counter.Specific binding is determined by subtraction of the cpm bound in the presence of 50-100× excess of cold ligand. Binding data assays were analyzed using GraphPad Prism 4.0 and IC50 is generated by non-linear regression from dose-response curves. Ki values were calculated using the Cheng Prusoff equation using the Kd values from saturation isotherms as follows: Ki=IC50/(1+[Ligand]/Kd).
8870	2	In-Vitro Binding of mPEGn-O-Opioid Conjugates to Opioid Receptors	Briefly, serial dilutions of the test compounds were placed in a 96-well plate to which were added SPA beads, membrane and radioligand. The assay conditions for each opioid receptor subtype are described in Table 10 below. The plates were incubated for 8 hours-overnight at room temperature, spun at 1000 rpm to pellet the SPA beads, and radioactivity was measured using the TopCount microplate Scintillation counter. Specific binding at each concentration of test compound was calculated by subtracting the non-specific binding measured in the presence of excess cold ligand. IC50 values were obtained by non-linear regression of specific binding versus concentration curves and Ki values were calculated using Kd values that were experimentally pre-determined for each lot of membrane preparations.
8870	3	In-Vitro Efficacy of mPEG-O-Opioid Conjugates to Inhibit cAMP Formation	Briefly, suspensions of cells expressing either the mu, kappa or delta opioid receptors were prepared in buffer containing 0.5 mM isobutyl-methyl xanthine (IBMX). Cells were incubated with varying concentrations of PEG-opioid conjugates and 3 &#956;M forskolin for 30 minutes at room temperature. cAMP was detected following a two-step assay protocol per the manufacturer&#39;s instructions and time resolved fluorescence was measured with the following settings: 330 nm excitation; 620 nm and 665 nm emission; 380 nm dichroic mirror. The 665 nm/620 nm ratio is expressed as Delta F % and test compound-related data is expressed as a percentage of average maximum response in wells without forskolin. EC50 values were calculated for each compound from a sigmoidal dose-response plot of concentrations versus maximum response. To determine if the compounds behaved as full or partial agonists in the system, the maximal response at the highest tested concentrations of compounds were compared to that produced by a known full agonist.
8870	4	conventional in vitro mu opioid receptor binding affinity assays	Using conventional in vitro mu opioid receptor binding affinity assays, IC50 values were determined for each of alpha-6-mPEGn-O-hydrocodonol compounds.
8871	1	LSD1 histone demethylase biochemical assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
8872	1	spectrophotometrical in vitro assay	The pre-assay mixture consisting of 3-hydroxyanthranilic acid (30H-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extract of E. coli BL21 (DE3) cells expressing the recombinant enzyme, was incubated at 25° C. with monitoring of the increase in absorbance at 360 nm due to the formation of ACMS from 3OH-HA. After the reaction was completed within 2 mins, an aliquot of ACMSD1 solution (prepared and purified from Pichia Pastoris overexpressing the recombinant enzyme) was added, and the decrease in absorbance at 360 nm was followed at 15 second intervals. The effect of ACMS concentration on the enzyme activity was investigated by varying 30H-HA concentration from 2 to 20 &#956;M. Kinetic parameters were calculated from the initial velocity data by using the Lineweaver-Burk plot.The rate of the decrease in absorbance caused by ACMSD1 was calculated by subtracting that of the control reaction mixture without ACMSD from that described above. One unit of ACMSD activity was indicated as the amount of enzyme that converts 1 mmol of ACMS per minute at 25° C. The absence or a reduction of ACMSD1 activity (e.g., by using ACMSD inhibitors) results in a slow ACMS-spontaneous degradation (i.e., cyclization to form quinolic acid).The enzymatic activity was determined at a HAA concentration of 10 &#956;M in the presence of the compounds in Table 1 below. The compounds were tested at the concentration of about 5 &#956;M and 10 &#956;M and the IC50 was calculated for compounds showing inhibitory activity higher than 50%.
8873	1	Ubitquin-Rhodamine 110 Assay	Each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP7, construct USP7 (208-1102) 6*His, Viva Biotech) in the assay was 62.5 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP7 for 30 min and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 min at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
8874	1	Effects of the Compounds of the Invention Against Activity of Dopamine D2 Receptor	Objective: positive symptoms (hallucination, delusion, etc.) in patients with schizophrenia may be associated with dopamine (DA) hyperfunction in subcortical limbic system, and antipsychotic drugs, which block Dopamine D2 Receptor (DRD2), can effectively control positive symptoms of schizophrenia. By establishing a cell line co-transfected with DRD2 and G&#945;16, the activated DRD2 can activate G&#945;16 protein, thereby activating phospholipase C (PLC) to produce inositol 1,4,5-triphosphate (IP3) and diacylglycerol (DAG), wherein IP3 can bind to the IP3 receptor on endoplasmic reticulum and mitochondria, resulting in intracellular calcium release. Therefore, the determination of a change in intracellular calcium can be used as a method for detecting the activated state of DRD2.Fluo-4/AM was a calcium fluorescent probe indicator for determining calcium ions. In this experiment, a Fluo-4 fluorescence method was used to determine the level of activated G&#945; protein by measuring the fluorescence intensity excited by intracellular calcium ions. If a compound could activate DRD2, the calcium influx was enhanced; on the contrary, if a compound could antagonize DRD2, the calcium influx was reduced.Methods: HEK293 cells stably expressing DRD2/G&#945;16 (a human embryonic kidney cell line, derived from Shanghai Institute of Materia Medica, Chinese Academy of Sciences) were seeded in a 96-well plate (the culture solution was 90% DMEM+10% fetal bovine serum), and incubated overnight. The culture solution was pipetted off, and a freshly prepared dye Fluo-4/AM was added. The cells were incubated in a 37° C. incubator for 40 min. The dye was completely pipetted off. After the cells were washed with a freshly prepared calcium buffer, a calcium buffer (50 &#956;l) dissolved with a test drug was added. FlexStation II instrument was used in the determination. A calcium buffer (25 &#956;l) dissolved with a known agonist was added automatically by the instrument at the fifteenth second, and the fluorescence value at 525 nm (an excitation wavelength of 485 nm) was finally read. Dopamine was used as agonist, Eticlopride (D2 receptor antagonist) was used as antagonist, and the cell response (% Response) of each sample at each concentration was calculated by the following formula: % Response=(LSample&#8722;LBlank)/(LDopamine&#8722;LBlank), wherein LSample represents the detected signal value of a test sample, LBlank represents the detected signal value as completely inhibited by Eticlopride, and LDopamine represents the detected signal value after the stimulation of the DMSO group with 50 nM Dopamine (agonist). IC50 value was calculated by GraphPad Prism.
8875	1	In Vitro Screening Experiment	1. Reagent Preparation:1) Preparation of 1× AlphaLISA test buffer solution:2.5 ml of 10× AlphaLISA test buffer solution was added to 22.5 ml of Milli-Q water to produce the 1× AlphaLISA test buffer solution.2) Preparation of mixture (25 &#956;g/mL/2.5 nM) of 2.5× AlphaLISA Acceptor beads and Biotinylated Antibody Anti-PCSK9:50 &#956;L of 5 mg/mL Alpha LISA Anti-PCSK9 Acceptor beads and 50 &#956;L of 500 nM Biotinylated Antibody Anti-PCSK9 were added to 9,900 &#956;L of 1× AlphaLISA test buffer solution.3) Preparation of 2× Streptavidin (SA) Donor beads (80 &#956;g/mL):200 &#956;L of 5 mg/mL SA-Donor beads was added to 12,300 &#956;L of 1× AlphaLISA test buffer solution.2. Operation Steps:1) DMSO was added to the test compound to produce the 50 &#956;M stock solution, which was then serially diluted into 10 concentrations by 3-fold, and placed in the 384-pore plate;2) PCSK9-Huh7 cells were added in the 384-pore plate, and the cell plate was cultured in the incubator for 20 h;3) 20 &#956;L/pore mixture of 2.5× AlphaLISA Acceptor beads and Biotinylated Antibody Anti-PCSK9 was added, and incubated at 23° C. for 60 min.4) 25 &#956;L/pore 2× Streptavidin (SA) Donor beads were added; and incubated for 30 min at 23° C. (kept in dark place).5) EnVision-Alpha Reader reading:Test condition: Total Measurement Time: 550 ms, Laser 680 nm Excitation Time: 180 ms, Mirror: D640as, Emission Filtered: M570w, Center Wavelength 570 nm, Bandwidth 100 nm, Transmittance 75%.3. Data Analysis:Date was analyzed with Prismsoftware (nonlinear regression (Sigmoidal dose-response-variable slope)Inhibition ratio %=100*(Sample reading&#8722;LC reading)/(HC reading&#8722;LC reading).
8876	1	Thallium Flux Assay	1. Seed HEK-hKir1.1 cells (50 &#956;l at 20,000 cells/well) in 384-well PDL coated Microplates2. Allow cells to adhere overnight in humidified 37° C./10% CO2 incubator3. Completely remove cell growth media from microplate and replace with 25 &#956;l loading buffer4. Incubate Microplate at room temperature, protected form light, for 90 min5. Remove loading buffer and replace with 25 &#956;l 1× Assay Buffer±test compound.6. Incubate microplate at room temperature, protected from light, for 30 min7. At FLIPR-Tetra 384: Add stimulant (Thallium/Potassium) solution to microplate and monitor fluorescence. Excitation=400 nm, Emission=460 & 580 nm. Collect data for 10 min.Data Calculation The fluorescence intensity of wells containing 3 &#956;M of a standard control ROMK inhibitor of the present invention is used to define the ROMK-sensitive component of thallium flux. Fluorescence in the presence of test compounds is normalized to control values to provide % fluorescence change. IC50 values represent the concentration of compound that inhibits 50% of the ROMK thallium flux signal.
8877	1	Isothermal Titration Calorimetry (ITC)	ITC experiments were conducted on a MicroCal Auto-ITC200 system (GE Healthcare life sciences). All titration experiments were performed at 20° C. in ITC buffer (10 mM Tris, 150 mM NaCl, pH 7.5). hHint1 was exchanged into ITC buffer using Micro biospin6 columns (BioRad, USA) and final protein concentrations were determined as described above. To determine the dissociation constant of stock concentration (300-400 uM) of inhibitors was titrated with 15-20 uM of Hint1. Twenty injections of ligand were injected (injection volume 2 ul) into the protein cell. The resulting change in enthalpy was measured and the background heat of dilution was subtracted by performing similar experiments in the absence of inhibitors. The background heat of dilution was subtracted from the resulting data and was fitted into one-site binding model using the ITC200 microcal software. The resulting association constant obtained by fitting the curve was converted into Kd using Ka=1/Kd relationship.
8878	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
8879	1	Calcium Flux Assay	This assay was used to test compounds for their ability to inhibit TARP &#947;8 dependent AMPA receptor activity. The AMPA receptor is a non-selective cation channel activated by glutamate. Ionotropic glutamate receptors normally desensitize too rapidly to allow detectable calcium influx in a FLIPR assay (Strange et al. (2006). Functional characterisation of homomeric ionotropic glutamate receptors GluR1-GluR6 in a fluorescence-based high throughput screening assay. Comb Chem High Throughput Screen 9(2): 147-158). But, this desensitization is incomplete, and a substantial steady-state current remains in the sustained presence of glutamate (Cho et al. (2007). Two families of TARP isoforms that have distinct effects on the kinetic properties of AMPA receptors and synaptic currents. Neuron 55(6): 890-904).An in vitro assay was used to determine the potency of test compounds as inhibitors of the glutamate response of the channel formed by GluA1o-&#947;8. To ensure a 1:1 stoichiometry of GluA10 and &#947;8 subunits in the expressed channel, a fusion of the cDNAs for GRIA1o and CACNG8 was used. Following Shi et al (2009) The stoichiometry of AMPA receptors and TARPs varies by neuronal cell type. Neuron 62(5): &#948; 33-640), the C-terminus of the cDNA for GRI1o was fused to the N-terminus of the cDNA for &#947;8. The linker sequence was QQQQQQQQQQEFAT. Channels expressed with this construct appear to have similar properties to channels formed by co-expression of GRI1o with an excess of CACNG8 (Shi et al. 2009). A clonal cell line in HEK293 cells stably expressing this construct, with a geneticin selection marker, was generated for use in this assay. Cell expressing the GRIA1o-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2, 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra.The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound. The data in Table 3 below illustrates the observed potency for the compounds described herein. pIC50 refers to the negative log of the IC50 in molar.
8880	1	PDE9 Inhibition Assay	A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.In the context of the present invention the assay was performed in 60 uL assay buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20) containing enough PDE9 to convert 20-25% of 10 nM 3H-cAMP and varying amounts of inhibitors. Following a 1 hour incubation the reactions were terminated by addition of 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads were allowed to settle for one hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. IC50 values were calculated by nonlinear regression using XLfit (IDBS).
8880	2	PDE1 Inhibition Assay	PDE1 assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzym1 (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter.The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XlFit (model 205, IDBS).
8881	1	HCV Polymerase Enzyme Assay	Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bacterial expression constructs encoding the approximately 65 kDa HCV genotype 1b NS5B protein were used to generate recombinant HCV polymerases (with a deletion of the 21 carboxy terminal amino acids). Both the wild-type genotype 1b protein and protein containing the S282T mutation were expressed and purified for use in the enzymatic activity assay.The enzymatic activity assay measured the inhibitory effect of increasing concentrations of test compound on the incorporation of &#945;-[33P]-labeled nucleotide into trichloroacetic acid-precipitable material. Recombinant polymerase and synthetic RNA template were combined in reaction buffer containing ribonucleoside triphosphates, &#945;-[33P]-labeled nucleotide and eight concentrations of test compound in three-fold dilutions. Reactions were incubated for two hours at 30° C.Reactions were terminated by the addition of ice-cold trichloroacetic acid and sodium pyrophosphate to promote precipitation of newly-synthesized ribonucleic acid. Precipitable material from the reactions was collected by filtration onto 96-well filter plates, washed extensively with water, and quantified by liquid scintillation.The inhibitory activity of test compounds was determined by fitting results to dose-response curves using XLfit software.
8882	1	Kinase Assay	Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM DTT, pH 7.5) and mixed and incubated in for 30 mins at rt. ERK1 & ERK2 were then activated by the addition of F1-Substrate, ATP and metal solution and incubated for 1 h at rt. After 1 h, the reaction was terminated by the addition of 70 mL of Termination Buffer (QuickScout Screening Assist MSA; Carna Biosciences) to the well. The reaction mixture was applied to LabChip system (PerkinElmer), and the product and substrate peptide peaks were separated, analyzed and quantitated. The kinase reaction is evaluated by the product ratio calculated from peak heights of product (P) and substrate(S) peptides (P/(P+S)).
8883	1	Isothermal Titration Calorimetry	ITC measurements were performed with a VP-ITC micro calorimeter. In general titrations were performed by titrating the protein (50 &#956;M) to the test compound (5 &#956;M) in 12 &#956;l injections. All binding experiments were carried out at 30° C. In general the test compounds were diluted form DMSO stock solutions into the measurement buffer with a maximum final concentration of 1% DMSO. The measurement buffer was 20 mM HEPES, 135 mM KCl, 1 mM TCEP, 2 mM MgCl2, 15 mM NaH2PO4, pH 7.5. The human PDHK2 (12-407) was produced in E. coli as his-tagged protein and purified by affinity chromatography. The tag was removed by side specific proteolysis. Before titration the protein buffer was changed to the measurement buffer containing the same DMSO concentration as the test compound dilution. 
8883	2	Biochemical Activity Assay	The biochemical activity assay for PDHK2 is based on the inactivation of PDC through phosphorylation by PDHK2. The assay is run in two steps: the enzymatic PDHK2 reaction in which isolated PDC is phosphorylated by PDHK2 with ATP as co-substrate and the PDC activity assay in which pyruvate and NAD are converted to acetyl-CoA and NADH. The PDC activity correlates to the increase in NADH and thereby is detectable directly via the increasing fluorescence signal (Exc 340 nm, Em 450 nm). Inhibition of PDHK2 results in a lower phosphorylation status and thereby a less decrease in activity of PDC and a stronger increase in NADH fluorescence signal.The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 &#956;l of PDHK2 (human, rec, Carna Bioscience, 10 ng/&#956;l-137 nM final concentration) and PDC (isolated from porcine heart, Sigma-Aldrich, 20 mU/ml final concentration) are incubated in the absence or presence of the test compound (10 dilution concentrations) for 30 min at room temperature in kinase buffer (15 mM potassium phosphate buffer, pH 7.0, 60 mM KCl, 1.5 mM DTT, 2.5 mM MgCl2, 0.0125% (w/v) BSA, 0.125% Pluronic F-68). The kinase reaction is started by the addition of 4 &#956;l ATP substrate solution (fc 5 &#956;M in kinase buffer). After 30 min incubation at 37° C. 40 &#956;l of PDC reaction solution (100 mM Tris/HCl, pH 7.8, 0.5 mM EDTA, 1 mM MgCl2, 50 mM NaF, 0.25 mM Coenzyme A, 5 mM pyruvate, 1 mM NAD, 5 mM DTT, 1 mM thiamine pyrophosphate) is added. The first fluorescence measurement is performed on a Perkin Elmer Envision (Exc 340 nm, Em 450 nm). The reaction is incubated for 45 min at room temperature. Afterwards a second fluorescence measurement is performed and the PDC activity is calculated by the difference between both measurements. 
8884	1	In Vitro Assays	Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 &#956;L of a dilution series of compound, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. hENPP2 is used at a final concentration of 1 &#956;g/mL or 3 &#956;g/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.5, 500 mM NaCl, 5 mM KCl, 10 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 10 &#956;L. the reaction is started by the addition of 10 &#956;L of 150 &#956;M LPC (palmitoyl 16:0) diluted in the same buffer as described above and the mixture is incubated at 37° C. for 30 min. The reaction is terminated and choline quantified by the addition of a 25 &#956;L of a mixture containing 0.6 U/mL of choline oxidase, 0.6 U/mL of peroxydase, 1.8 mM TOOS, 1.2 mM amino-antipyrine, 20 mM EGTA (stop-developer solution) diluted in the buffer described above. Luminescence is read on the Envision after an incubation of 30 min at room temperature (Excitation 555 nm, excitation light=70%).
8885	1	Biochemical JAK and Off-Target Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
8886	1	FLIPR Assay	In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the following experimental method. For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are grown in Iscove&#39;s modified DMEM containing 2 mM L-glutamine, 0.5 g/ml G418, 1% hypoxanthine-thymidine supplement, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat-inactivated fetal calf serum (FCS). The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents are from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37° C. and 5% CO2. Ala-6,12 human orexin-A as the agonist is prepared as a 1 mM stock solution in 1% bovine serum albumin (BSA) and diluted in assay buffer (HBSS containing 20 mM HEPES, 0.1% BSA and 2.5 mM probenecid, pH7.4) for use in the assay at a final concentration of 70 pM. Test compounds are prepared as 10 mM stock solution in DMSO, then diluted in 384-well plates, first in DMSO, then assay buffer. On the day of the assay, cells are washed 3 times with 100 &#956;l assay buffer and then incubated for 60 min (37° C., 5% CO2) in 60 &#956;l assay buffer containing 1 &#956;l M Fluo-4AM ester, 0.02% pluronic acid, and 1% BSA. 
8887	1	ligand sensing assay (LiSA)	As used herein, reference to the activity of an LXR agonist at LXR&#945; and LXR&#946; refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. In some embodiments, the LXR agonist has an EC50 of less than 1 &#956;M in the ligand sensing assay (e.g., 0.5 nm to 500 nM, 10 nM to 100 nM). For example, the methods of the invention can be performed using an LXR&#946; agonist having activity for LXR&#946; that is at least 3-fold greater than the activity of the agonist for LXR&#945;, or having activity for LXR&#946; that is at least 10-fold greater than the activity of the agonist for LXR&#945;, or having activity for LXR&#946; that is at least 100-fold greater than the activity of said agonist for LXR&#945;, or having activity for LXR&#946; that is at least within 3-fold of the activity of the agonist for LXR&#945;. The term greater activity in the LiSA assay assay refers to a lower EC50. For example, GW3965 2 has approximately 6-fold greater activity for LXR&#946; (EC50=30) compared to LXR&#945; (EC50=190).
8888	1	Measurement of PDE2 Inhibition In Vitro	r-hPDE2A (Accession No. NM_002599, Homo sapiens phosphodiesterase 2A, cGMP-stimulated, transcript variant 1) A mammalian expression cloning vector with recombinant cDNA copy of the gene is purchased from Origene. Protein is expressed via transient transfection of HEK293 cells. The cells are harvested at 48 hours after transfection, washed once with TBS buffer (50 mM Tris-HCl, pH 7.5, 150 mM NaCl), then lysed by sonication in cold homogenization buffer (50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1× protease inhibitor cocktail). The homogenate is centrifuged for 30 min at 15,000 g at 4° C. to obtain the soluble cytosolic fraction. The protein concentration of the cytosol is determined using BCA Protein Assay Kit (Pierce) with bovine serum albumin as a standard.Assay:PDE2A is assayed with FL-cAMP as substrate. An enzyme titration is first performed to determine the working concentration of PDE. The concentration of the enzyme giving activity of 100 &#916;mP in the absence of inhibitor is deemed an appropriate working concentration for PDE.PDE enzyme is diluted in a standard reaction buffer buffer (10 mM Tris-HCl pH 7.2, 10 mM MgCl2, 0.1% BSA, 0.05% NaN3) according to the titration curve. For PDE2 assay the reaction buffer is supplemented with 1 &#956;M cGMP to fully activate the enzyme. 99 &#956;l of diluted enzyme solution is added into each well in a flat bottom 96-well polystyrene plate and then 1 &#956;l of test compound dissolved in 100% DMSO is added. The compounds are mixed and pre-incubated with the enzyme for 10 min at room temperature.The FL-cNMP conversion reaction is initiated by addition of substrate (45 nM final). Enzyme and inhibitor mix (16 &#956;l) and substrate solution (4 &#956;l of 0.225 &#956;M) are combined in a 384-well microtiter plate. The reaction is incubated in the dark at room temperature for 15 min. The reaction is halted by addition of 60 &#956;l of binding reagent (1:400 dilution of IMAP beads in binding buffer supplemented with 1:1800 dilution of antifoam) to each well of the 384-well plate. The plate is incubated at room temperature for 1 hour to allow IMAP binding to proceed to completion, and then placed in an Envision multimode microplate reader (PerkinElmer, Shelton, Conn.) to measure the fluorescence polarization (&#916;mp).A decrease in cAMP concentration, measured as decreased &#916;mp, is indicative of inhibition of PDE activity. IC50 values are determined by measuring enzyme activity in the presence of 8 to 16 concentrations of compound ranging from 0.00037 nM to 80,000 nM and then plotting drug concentration versus &#916;mP Test well values are normalized to control reactions run on the same plate (values converted to % of control). IC50 values are estimated using nonlinear regression software, fitting a four-parameter one-site dose-response model (XLFit; IDBS, Cambridge, Mass.). Bottom of curve is fixed at 0% of control.
8889	1	In Vitro Enzyme Inhibition Assay LSD-1	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number O60341) was purchased from Active Motif (Cat #31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
8890	1	Assay for Inhibition of ALK Tyrosine Kinase Activity	The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their ability to inhibit kinase activity of baculovirus-expressed ALK using a modification of the ELISA protocol reported for trkA in Angeles, T. S. et al., Anal. Biochem. 1996, 236, 49-55, which is incorporated herein by reference. Phosphorylation of the substrate, phopholipase C-gamma (PLC-&#947;) generated as a fusion protein with glutathione-S-transferase (GST) as reported in rotin, D. et al., EMBO J. 1992, 11, 559-567, which is incorporated by reference, can be detected with europium-labeled anti-phosphotyrosine antibody and measured by time-resolved fluorescence (TRF). In this assay, 96-well plate is coated with 100 &#956;L/well of 10 &#956;g/mL substrate (phospholipase C-&#947; in tris-buffered saline (TBS). The assay mixture (total volume=100 &#956;L/well) consisting of 20 nM HEPES (pH 7.2, 1 &#956;MATP (Km level), 5 nM MnCl2, 0.1% BSA, 2.5% DMSO, and various concentrations of test compound is then added to the assay plate. The reaction is initiated by adding the enzyme (30 ng/mL ALK) and is allowed to proceed at 37 degrees C. for 15 minutes. Detection of the phosphorylated product can be performed by adding 100 &#956;L/well of Eu N1 labeled PT66 antibody (Perkim Elmer # AD0041). Incubation at 37° C. for one hour, followed by addition of 100 &#956;L enhancement solution (for example Wallac #1244-10). The plate is gently agitated and after thirty minutes, the fluorescence of the resulting solution can be measured (for example using EnVision 2100 multilabel plate reader from Perkin Elmer).
8892	1	In Vitro Enzyme Inhibition Assay-LSD-1	This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession number 060341) was purchased from Active Motif (Cat#31334).The enzymatic assay of LSD-1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD-1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD-1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD-1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD-1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD-1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
8893	1	beta-lactamase assay	Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB broth supplemented with 50 &#956;g/mL kanamycin. Two liters of LB broth supplemented with 50 &#956;g/mL kanamycin, 200 mM sorbitol, and 5 mM betaine were each inoculated with 10 mL of overnight bacterial culture. Cultures were then grown at 37 C until an optical density at 600 nm (OD600) of 0.6-0.7. Protein expression was then initiated by the addition of IPTG (final concentration 0.5 mM), followed by growth for 16 hr at 20 C. Cells were pelleted by centrifugation and stored at &#8722;80 C until further use. The his tag KPC-2 beta-lactamase was purified by nickel affinity chromatography and gel filtration. Briefly, the cell pellets were thawed and re-suspended in 40 mL of buffer A (20 mM Tris-HCl pH 8.0, 300 mM NaCl, 20 mM imidazole) with one complete protease inhibitor cocktail tablet (Roche) and disrupted by sonication, followed by ultracentrifugation to clarify the lysate. After ultracentrifugation, the supernatant was passed through a 0.22 &#956;m filter before loading onto a 5 mL HisTrap HP affinity column (GE Healthcare Life Sciences, USA) pre-equilibrated with buffer A. His tag KPC-2 was eluted by a linear imidazole gradient (20 mM to 500 mM). Fractions were analyzed by SDS-PAGE. Fractions containing his tag KPC-2 were concentrated using a 10 k NMWL Amicon Ultra-15 Centrifugal Filter Unit. Concentrated his tag KPC-2 was then loaded onto a superdex 75 gel filtration column (GE Healthcare Life Sciences) pre-equilibrated with 20 mM Tris-HCl pH 8.0, 300 mM NaCl. Protein concentration was determined by absorbance at 280 using an extinction coefficient of 39,545. SDS-PAGE analysis indicated that the eluted protein was more than 95% pure.For sumo tag NDM-1 metallo-beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB broth supplemented with 100 &#956;g/mL ampicillin. Two liters of LB broth supplemented with 100 &#956;g/mL ampicillin were each inoculated with 10 mL of overnight bacterial culture. Cultures were then grown at 37 C until an optical density at 600 nm (OD600) of 0.6-0.7. Protein expression was then initiated by the addition of IPTG (final concentration 0.5 mM), followed by growth for 16 hr at 20 C. Cells were pelleted by centrifugation and stored at &#8722;80 C until further use. The sumo tag NDM-1 beta-lactamase was purified by nickel affinity chromatography and gel filtration. Briefly, the cell pellets were thawed and re-suspended in 40 mL of buffer A (20 mM HEPES pH 7.4, 0.5 M NaCl, 20 mM imidazole) with one complete protease inhibitor cocktail tablet (Roche) and disrupted by sonication, followed by ultracentrifugation to clarify the lysate. After ultracentrifugation, the supernatant was passed through a 0.22 &#956;m filter before loading onto a 5 mL HisTrap HP affinity column (GE Healthcare Life Sciences, USA) pre-equilibrated with buffer A. Sumo tag NDM-1 was eluted by a linear imidazole gradient (20 mM to 500 mM). Fractions were analyzed by SDS-PAGE. Fractions containing sumo tag NDM-1 were buffer exchanged into 20 mM HEPES pH 7.0, 100 mM NaCl. Cleavage of the sumo tag was then carried out with ULP1 protease overnight at room temperature and then concentrated using a 10 k NMWL Amicon Ultra-15 Centrifugal Filter Unit. The sample was then loaded back onto a nickel affinity column and the flow through was collected, containing the untag NDM-1. NDM-1 was concentrated and loaded onto a gel filtration column (GE Healthcare Life Sciences) pre-equilibrated with 20 mM HEPES pH 7.0, 100 mM NaCl. Protein concentration was determined by absorbance at 280 using an extinction coefficient of 27,960. SDS-PAGE analysis indicated that the eluted protein was more than 95% pure.Steady-State Kinetic Analysis. Steady-state kinetic parameters were determined by using a Biotek Cytation Multi-Mode Reader. For KPC-2, each assay was performed in 100 mM Tris-HCl pH 7.0,
8894	1	transactivation assay	Human epithelial kidney cells (HEK 293) were grown to 80% confluency in Dubelcco&#39;s modified Eagles 4.5 g/L glucose medium (high glucose DMEM) containing 10% fetal bovine serum, 50 units/mL penicillin and 50 &#956;g/mL streptomycin. The cells were trypsinized with 0.25% trypsin, then diluted to 5×105 cells/mL with high glucose DMEM. Cells were added to Costar 3917 96-well plates at 5×104 cells/well, then incubated at 37° C. for 24 hours. 1.5 &#956;g of TR expression vector (full length TR&#945;-CMV or TR&#946;-CMV), 1.5 &#956;g of a reporter plasmid containing a DR4 thyroid hormone response element (TRE) direct repeat spaced by four nucleotides (AGGTCAcaggAGGTCA) cloned upstream of a minimal thymidine kinase promoter linked to a firefly luciferase coding sequence, and 0.75 &#956;g of a pRL-SV40 constitutive Renilla luciferase reporter plasmid were diluted into 540 &#956;l of OptiMEM. 27 &#956;L of lipofectamine reagent was diluted into 540 &#956;L of OptiMEM. The plasmid and lipofectamine dilutions were combined then incubated at RT for 10 min. The mixture was then diluted into 4.29 mL of OptiMEM. Plates were washed with 100 &#956;L of phosphate buffered saline (PBS) at pH 7.2 without magnesium or calcium chloride per well. Transfection mixtures were added at 50 &#956;L per well, then incubated at 37° C. for 4 hours. Modified DME/F-12 Ham&#39;s medium without phenol red containing 15 mM HEPES and bicarbonate, 5 mM L-glutamine, charcoal-stripped FBS, 50 units/mL penicillin and 50 &#956;g/mL streptomycin was added at 50 &#956;L per well, then the plates were incubated at 37° C. for 20 hours. Drug stocks were made at 10 mM in DMSO, then serially diluted to 1× concentrations in DME/F-12 Ham&#39;s. Plates were washed with 100 &#956;L of PBS (pH 7.2) per well. 100 &#956;L of each drug stock was added to the wells in triplicate, and then the plates were incubated at 37° C. for 24 hours.Cells were assayed for luciferase activity using the Promega DualGlo kit. 50 &#956;l of Luciferase Reagent were added per well, the plate was rocked for 15 min at RT, and then the plate was read for firefly luciferase activity. A 50 &#956;l volume of Stop & Glo Reagent was added per well, then the plate was read for Renilla luciferase activity. Data normalized to Renilla internal control were analyzed with GraphPad Prism v.4a using the sigmoid dose response model to generate EC50 values±SEM.
8895	1	Assay for TDO2 enzymatic activity determination	To measure the TDO2 activity, the procedure described in Dolusic et al. J. Med. Chem.; 2011, 54, 5320-533 was adapted: the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 7.5), ascorbic acid (0.25 M), methylene blue (0.125 &#956;M), catalase (40 units/mL, from bovine liver, Sigma), and human recombinant TDO2 enzyme (prepared as described in Dolusic et al. J. Med. Chem.; 2011, 54, 5320-5334; 0.9 &#956;g) without or with the compounds of the present invention at the indicated concentrations (total volume 112.5 &#956;L). The reaction was initiated by the addition of 37.5 &#956;L of L-Trp (final concentration 1 mM) at room temperature. The reaction was conducted at room temperature during one hour and stopped by the addition of 30 &#956;L of 30% (w/v) trichloroacetic acid.To convert N-formylkynurenine into kynurenine, the reaction mixture was incubated at 65° C. for 30 min. Then 150 &#956;L of the reaction mixture was mixed with 120 &#956;L of 2.5% (w/v) 4-(dimethylamino)-benzaldehyde in acetic acid and incubated for 5 min at room temperature. Kynurenine concentrations were determined by measuring the absorbance at 480 nm. A standard curve was made with pure kynurenine. The TDO activity was measured as described above using ten serial concentrations of the compounds of the present invention. Data were fitted using the Prism software (GraphPad Software, Inc.) using standard parameters.
8896	1	luminescent kinase assay	Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 peptide substrate (KinaseGlo). (U.S. Provisional Patent Application No. 61/299,286, and reference 9) Similar to TgCDPK1, exogenous calcium was necessary for CpCDPK1 to possess maximum catalytic activity (data not shown). Notably, both kinases were tested at the same ATP concentration which allows direct comparison of inhibitor potencies due to these enzymes possessing similar Kms for this cofactor. (20)Encouraged by the similar potency of inhibitor 3 against TgCDPK1 (IC50=150±20 nM) and CpCDPK1 (IC50=130±40 nM), pyrazolopyrimidine analogues that contain a naphthylmethylene group at the 3-position and various alkyl substituents at the 1-position were tested for their ability to inhibit both kinases.
8897	1	BTK assay	To determine IC50 of a compound against a kinase, a series of concentrations of the compound were tested for the inhibition. IC50 was calculated by plotting the concentration of compound vs the percentage of inhibition in treated wells using GraphPad Prism 5.
8898	1	Activity of Compounds in PSA Luciferase Assay	The biological activity of analogs 5-16, 18, 20, 26, JJ-450, and the resolved enantiomers JJ-450A and J-450B was determined and compared to HTS hit 1 (IC50 7.3 &#956;M) and MDV3100 (IC50 1.1 &#956;M) using the Dual-Glo luciferase system (Promega, WI, USA) in C4-2-PSA-rl cells, which were generated by transfection with PSA6.1-luc and pRL-TK followed by stable selection using G418 and puromycin. C4-2-PSA-rl stable cells were cultured in RPMI 1640 medium with 10% FBS, 1% penicillin-streptomycin, 1% L-glutamine, 10 mg/mL puromycin, and 50 mg/mL G418. C4-2-PSA-rl cells were seeded in 24-well plates such that they reached 75-80% cell monolayer density after 24 h. C4-2-PSA-rl cells were then treated for 24 h with 0, 0.2, 0.8, 3.2, 12.8, or 25 &#956;M of each compound dissolved in DMSO (0.8% DMSO/well) in the presence of 1 nM synthetic androgen R1881, with each experimental condition in triplicate. The cells were also treated in parallel with 12.8 &#956;M compound 1 and 12.8 &#956;M MDV3100 as positive controls. Each compound was tested in at least two independent experiments. Luciferase activity was assayed using the Dual-Luciferase Reporter Assay System (Promega) using LMax II Microplate Reader (Molecular Devices). The luciferase assay results were acquired using SoftMax Pro5.45 software (Molecular Devices) and analyzed using GraphPad Prism. PSA6.1-luc activity was normalized to the Renilla luciferase activity. Relative luciferase activity was calculated as the quotient of androgen-induced PSA-firefly/Renilla luciferase activity. Since PSA promoter activity correlates to AR transcriptional activity, inhibition of AR will result in decreased PSA-luciferase activity. IC50 values were calculated using GraphPad Prism and data represent the mean and SD of 2-6 independent experiments.
8899	1	FLIPR Calcium Assay	One day before the assay, CORNING black with clear flat bottom 96-well assay plates were coated with a 0.1 mg/mL Poly-L-Lysine solution. CHO-K1/MOR/G&#945;15 cells were suspended in the F12 medium and plated at a density of 8×104 cells/well in 200 &#956;L medium. Cells were incubated in a humidified atmosphere of 10% CO2 at 37° C. overnight so as to reach an 80-90% confluent cell monolayer before assay. At the day of assay, 150 &#956;L medium/well was removed from plate. To each well, 50 &#956;L FLIPR calcium assay reagent dissolved in 1× assay buffer (HBSS: KCl 5 mM, KH2PO4 0.3 mM, NaCl 138 mM, NaHCO3 4 mM, Na2HPO4 0.3 mM, d-glucose 5.6 mM, with additional 20 mM HEPES and 13 mM CaCl2, pH 7.4), with 2.5 mM probenecid was added and the plate was incubated at 37° C. for 1 h. Compounds and other reagents were dissolved in the assay buffer. Using a FlexStationIII (Molecular Devices Corp.), the [Ca2+]i fluorescence increases after robotic injections of compounds or other reagents were monitored every 1.52 s interval with excitation wavelength at 485 nm and with emission wavelength at 525 nm. The [Ca2+]i fluorescence was measured up to 90 s after agonist injection. The fluorescence intensity from 6 to 12 wells of cells were averaged and the relative amount of [Ca2+]i release was determined by integrating the AUC of the [Ca2+]i fluorescence averages.
8900	1	Radiolabel Binding Studies for Serotonin 5HT7 receptors	A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer or DMSO according to its solubility. A similar stock of the reference compound chlorpromazine is also prepared as a positive control. Eleven dilutions (5× assay concentration) of the compound of the disclosure and chlorpromazine are prepared in the Assay Buffer by serial dilution to yield final corresponding assay concentrations ranging from 10 pM to 10 &#956;M.A stock concentration of 5 nM [3H]LSD (lysergic acid diethyl amide) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 &#956;l of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.The 250-&#956;l reactions are incubated at room temperature for 1.5 hours, then harvested by rapid filtration onto 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester. Four rapid 500-&#956;l washes are performed with chilled Assay Buffer to reduce non-specific binding. The filter mats are dried, then scintillant is added to the filters and the radioactivity retained on the filters is counted in a Microbeta scintillation counter.Raw data (dpm) representing total radioligand binding (i.e., specific+non-specific binding) are plotted as a function of the logarithm of the molar concentration of the competitor (i.e., test or reference compound). Non-linear regression of the normalized (i.e., percent radioligand binding compared to that observed in the absence of test or reference compound) raw data is performed in Prism 4.0 (GraphPad Software) using the built-in three parameter logistic model describing ligand competition binding to radioligand-labeled sites:y=bottom+[(top&#8722;bottom)/(1+10x&#8722;log IC 50)]where bottom equals the residual radioligand binding measured in the presence of 10 &#956;M reference compound (i.e., non-specific binding) and top equals the total radioligand binding observed in the absence of competitor. The log IC50 (i.e., the log of the ligand concentration that reduces radioligand binding by 50%) is thus estimated from the data and used to obtain the Ki by applying the Cheng-Prusoff approximation:Ki=IC 50/(1+[ligand]/KD)where [ligand] equals the assay radioligand concentration and KD equals the affinity constant of the radioligand for the target receptor.Compounds of the disclosure are also screened at a single concentration of 10 &#956;M using the same method described for the Radiolabel Binding Studies for Serotonin 5HT7 receptors to determine the percent inhibition of [3H]LSD binding.
8901	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
8902	1	BIOLOGICAL ASSAY	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following excitation at 485 nM. Readings from wells that do not contain antagonist enable percentage inhibition curves to be plotted using 4-parameter fit algorithm and IC50 values are calculated for each test compound.
8903	1	The screening assay for Wnt activity	The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., colon cancer) or primary cells (e.g., IEC-6 intestinal cells) with a lentiviral construct that includes a Wnt-responsive promoter driving expression of the firefly luciferase gene.SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eight TCF/LEF binding sites. SW480 cells stably expressing the Sp5-Luc reporter gene and a hygromycin resistance gene were selected by treatment with 150 &#956;g/mL of hygromycin for 7 days. These stably transduced SW480 cells were expanded in cell culture and used for all further screening activities. Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 10-point dose-response curves starting from 10 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well white solid bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. For Sp5-Luc reporter gene assays, the cells were plated at 4,000 cells/well in 384-well plates with a DMEM medium containing 1% fetal bovine serum, and 1% Penicillin-Streptomycin and incubated for 36 to 48 hours at 37° C. and 5% CO2. Following incubation, 15 &#956;l of BriteLite Plus luminescence reagent (Perkin Elmer) was added to each well of the 384-well assay plates. The plates were placed on an orbital shaker for 2 min and then luminescence was quantified using the Envision (Perkin Elmer) plate reader. Readings were normalized to DMSO only treated cells, and normalized activities were utilized for EC50 calculations using the dose-response log (inhibitor) vs. response variable slope (four parameters) nonlinear regression feature available in GraphPad Prism 5.0 (or Dotmatics).
8903	2	The DYRKIA kinase assay	The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRKIA kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) was calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation was then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))]. Dose-response curves were generated and inhibitory concentration (IC50) values were calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
8903	3	The GSK3beta kinase assay	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))].Dose-response curves are generated and inhibitory concentration (IC50) values are calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
8904	1	Enzyme Activity: Determination of IC50 	The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1; for a review, see: Meine, M.-R.; Llarrull, L. I.; Vila, A. J. Antibiotics, 2014, 3, 285-316) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 &#956;M ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 &#956;M. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 &#956;M to 0.00063 &#956;M. In a 384-well microplate, the test inhibitor was incubated with the metallo-&#946;-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
13226	1	TBD	TBD
13227	1	Biochemistry Assay	The radioactive signal generated from the aliquot of buffer solution was proportional to the amount of radiolabeled substrate produced, and which is generally reflective of kinase activity. wtERBB2 was purchased from Reaction Biology (Cat: Kin-21-497), ERBB2-A775_G776insYVMA was purchased from SignalChem (Cat: E27-13BG), and wt EGFR was purchased from Invitrogen (Cat: PR7295B). Typical reaction solutions (10 μL final reaction volume) contained the following buffer conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. The assay was primed by preparing a fresh 0.2 mg/mL solution of pEY (Sigma Cat: P7244) substrate in the reaction buffer and supplementing that solution with 2 mN of MnCl2 as substrate cofactor (Sigma Cat: M9522). The kinase of interest was then added to the solution at the appropriate concentration (30 nM wtERBB2 from, or 20 nM ERBB2YVMA, or 4 nM wtEGFR) and gently mixed prior to delivery of compound in 100% DMSO by acoustic dispensing (Beckman Echo550). Compound, Kinase, and substrate were allowed to incubate for 20 min at room temperature prior to the initiation of the reaction by addition of 33P-ATP (PerkinElmer Cat: NEG602, final conc 10 μM). The reaction was allowed to run for 2 hours at room temperature and was then spotted onto P81 ion exchange paper, washed with a 0.75% Phosphoric acid solution, and imaged to quantify the amount of radioactivity.
8906	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2. 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITITYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
13228	1	TR-FRET Assay	The TR-FRET assay was carried out in black 384-well microtiter plates at a final volume of 20 μM per well. To screen library compounds, the assay cocktail was prepared as a mixture of 50 nM biotin-DCN1, 20 nM Ac-UBE2M12-AlexaFluor488, 2.5 nM Tb streptavidin (ThermoFisher) in assay buffer (25 mM HEPES, 100 mM NaCl, 0.1% Triton X-100, 0.5 mM DTT, pH 7.5). The assay cocktail was then incubated for 1 h at room temperature and distributed using a WellMate instrument (Matrix). Compounds to be screened were added to assay plates from DMSO stock solutions by pin transfer using 50SS pins (V&P Scientific). The assay mixture was incubated for 1 h at room temperature prior to measuring the TR-FRET signal with a PHERAstar or Clariostar plate reader (BMG Labtech)) equipped with excitation modules at 337 nm and emissions at 490 and 520 nm. We set the integration start to 100 s and the integration time to 200 s. The number of flashes was set to 100. The ratio of 520:490 was used as TR-FRET signal in calculations. Assay end points were normalized from 0% (DMSO only) to 100% inhibition (unlabeled competitor peptide) for hit selection and curve fitting. All compounds were tested in triplicate or more.
8908	1	HBV Replication Inhibition Assay	HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably integrated HBV, such as HepG2.2.15 cells (Sells et al. 1987). In this example, HepG2.2.15 cells were maintained in cell culture medium containing 10% fetal bovine serum (FBS), Geneticin, L-glutamine, penicillin and streptomycin. HepG2.2.15 cells could be seeded in 96-well plates at a density of 40,000 cells/well and be treated with serially diluted compounds at a final DMSO concentration of 0.5% either alone or in combination by adding drugs in a checker box format. Cells were incubated with compounds for three days, after which medium was removed and fresh medium containing compounds was added to cells and incubated for another three days. At day 6, supernatant was removed and treated with DNase at 37° C. for 60 minutes, followed by enzyme inactivation at 75° C. for 15 minutes. Encapsidated HBV DNA was released from the virions and covalently linked HBV polymerase by incubating in lysis buffer (Affymetrix QS0010) containing 2.5 &#956;g proteinase K at 50° C. for 40 minutes. HBV DNA was denatured by addition of 0.2 M NaOH and detected using a branched DNA (BDNA) QuantiGene assay kit according to manufacturer recommendation (Affymetrix). HBV DNA levels could also be quantified using qPCR, based on amplification of encapsidated HBV DNA extraction with QuickExtraction Solution (Epicentre Biotechnologies) and amplification of HBV DNA using HBV specific PCR probes that can hybridize to HBV DNA and a fluorescently labeled probe for quantitation. In addition, cell viability of HepG2.2.15 cells incubated with test compounds alone or in combination was determined by using CellTitre-Glo reagent according to the manufacturer protocol (Promega). The mean background signal from wells containing only culture medium was subtracted from all other samples, and percent inhibition at each compound concentration was calculated by normalizing to signals from HepG2.2.15 cells treated with 0.5% DMSO using equation E1.% inhibition=(DMSOave&#8722;Xi)/DMSOave×100%&#8195;&#8195;E1:where DMSOave is the mean signal calculated from the wells that were treated with DMSO control (0% inhibition control) and Xi is the signal measured from the individual wells. EC50 values, effective concentrations that achieved 50% inhibitory effect, were determined by non-linear fitting using Graphpad Prism software (San Diego, Calif.) and equation E2Y=Y min+(Y max&#8722;Y min)/(1+10(Log EC50&#8722;X)×HillSlope)&#8195;&#8195;E2:where Y represents percent inhibition values and X represents the logarithm of compound concentrations.
8909	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
8910	1	Test for beta-lactamase Inhibitory Activity	he inhibitory activities of present compounds against various enzymes were measured by spectrophotometric assay using 490 nM and using nitrocefin as a substrate [J. Antimicrob. Chemother., 28, pp 775-776 (1991)]. The concentration of inhibitor (IC50) which inhibits by 50% the reaction of hydrolysis of nitrocefin by the enzyme is determined.
8911	1	HTRF PI3K Biochemical Assay	The PI3-Kinase biochemical assays were developed to measure the intrinsic potency and compound dependent inhibition of the alpha, beta, delta, and gamma PI3K isoform enzymes. This assay was developed and further optimized from a kit produced by Upstate (Millipore catalog #33-047) and has been configured for HTS and SAR screening. Briefly, this procedure exploits the exquisite specificity and high affinity binding of enzyme reaction substrate phosphatidyl(3,4,5)triphosphate (PIP3) to the GRP1 pleckstrin homology (PH) domain to generate the signal. In the absence of PIP3, an HTRF (Homogeneous Time-Resolved Fluorescence energy transfer) complex is formed consisting of europium (Eu)-labeled anti-GST, GSTtagged GRP1-PH domain, biotin-PIP3 and streptavidin conjugated APC. The native PIP3 produced by PI3-Kinase activity disrupts, in a competitive manner, the biotin-PIP3 from the PH domain, resulting in the loss of energy transfer (HTRF complex) and a decrease in the signal. The format of this assay is the same for all 4 isoforms of PI3K; the differences lie in the concentration of enzyme used to achieve robust assay window. The alpha, beta, and delta assays are run at 0.5, 1, and 0.3 nM enzymes and the gamma assay is run at 5 nM enzyme. The ATP concentration is 100 uM in the alpha, beta, and delta assays and 50 uM ATP in the gamma assay. All reactions are run at 50 uM PIP2.Assay ProtocolCompounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column 22, to yield 10 concentration dose response for each test compound. Columns 1, 2, 23 and 24 contain either only DMSO or pharmacological known control inhibitor. Once titrations are made, 2.5 nL of the compounds on 384 well plates are reformatted and transferred by acoustic dispense in quadruplicates to a 1536 assay plate (Greiner) to assay across all four PI3K isoform enzymes.The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reaction Buffer; 2) native PIP2 (substrate); 3) Stop (EDTA); 4) Detection Mix A (Streptavidin-APC); 5) Detection Mix B (Eu-labeled Anti-GST plus GST-tagged PH-domain); 6) Detection Mix C. In addition, the following items were obtained or purchased; PI3Kinase (alpha 14-602, beta 14-603, gamma 14-558 and delta 14-604 from Upstate; Millipore), dithiothreitol (Sigma, D-5545), Adenosine-5&#8242; triphosphate (InVitrogen, Cat # AS001A), native PIP3 (PI(3,4,5)P3, diC8, H+, CELLSIGNALS, INC. Cat #907) DMSO (Sigma, 472301).PI3Kinase Reaction Buffer was prepared by dilution the stock 1:4 with de-ionized water. DTT, PIP2 and Biotin-PIP3 were added to 1536 assay plate at a final concentration of 5 mM, 5 mM and 25 nM on the day of use. Enzyme addition and compound pre-incubation were initiated by the addition of 1.25 ul of PI3K (at twice its final concentration) in the 1× reaction buffer to all wells using a BioRaptor. Plates were incubated at room temperature for 15 minutes. Reactions are initiated by addition of 1.25 ul of 2× substrate solution (PIP2 and ATP in 1× reaction buffer) using BioRaptor. Plates were incubated in humidified chamber at room temperature for one hour. Reactions were quenched by addition of 0.625 uL of stop solution to all wells using the BioRaptor. The quenched reactions are then processed to detect product formation by adding 0.625 uL of Detection Solution to all wells using the BioRaptor (Detection mix C, Detection Mix A, and Detection Mix B combined together in an 18:1:1 ratio prepared 2 hours prior to use). Following a one hour incubation in the dark, the HTRF signal was measured on the Envision plate reader set for 330 nm excitation and dual emission detection at 620 nM (Eu) and 665 nM (APC).Data AnalysisThe loss of the HTRF signal is due to the displacement of biotinylated-PIP3 from the PH domain by the PI3K-dependent conversion of PIP2 to PIP3.
8913	1	Intracellular Calcium Assay	Cell Lines and Cell Culture.The PathHunter U2OS HTR2C &#946;-Arrestin cell line (5-HT2cR-U2OS; DiscoveRx) stably express the nonedited human 5-HT2CR isoform (h5-HT2CR). The 5-HT2CR-U2OS cells were grown in Assay Complete U2OS Medium 31 (DiscoveRx) at 37° C., 5% CO2 and 85% relative humidity according to manufacturer&#39;s recommendations utilizing AssayComplete Cell Detachment Reagent (DiscoveRx). Cells were passaged at 70-80% confluence and all experiments were conducted using cells in log phase growth.Intracellular Calcium Assay.The ability of the molecules to act as agonists to induce 5-HT2CR-mediated intracellular calcium (Cai ++) release was conducted in an U2OS cell line stably expressing the human 5-HT2CR. For all molecules examined, the observed potency was shifted rightward relative to 5-HT or WAY163909 (Table 1).Intracellular calcium (Cai ++) release was monitored using the FLIPR Calcium 4 Assay Kit (Molecular Devices) according to previously published protocols with minor modifications. See, e.g., Shashack, M. J., et al., ACS Chem Neurosci. 2 (11), 640-644 (2011); Seitz, P. K.; Bremer, N. M., et al., BMC Neurosci. 13, 25 (2012).Cells were plated at 5,000-7,000 cells/well in Assay Complete Cell Plating Reagent 16 (DiscoveRx) in black-sided, clear bottomed 96-well tissue culture plates and allowed to adhere overnight. Medium was removed and replaced with 40 &#956;l Hank&#39;s balanced salt solution without calcium, magnesium and phenol red (HBSS; Corning) plus 40 &#956;l Calcium 4 dye solution in Buffer B supplemented with 2.5 mM probenecid (Sigma-Aldrich) to inhibit extracellular dye transport. Plates were incubated for 60 min at 37° C. followed by 30 min at room temperature in the dark.Fluorescence (&#955;ex=485 nm, &#955;em=525 nm) was measured using a FlexStation3 (Molecular Devices). Baseline was established for 17 secs before addition of 20 &#956;l vehicle (HBSS without calcium or magnesium) or 5× concentrated compound. Addition of 5-HT, WAY163909, or ligand occurred at the 17-sec time point and fluorescence was recorded every 1.7 sec for 120 sec. Maximum peak height was determined using FlexStation software (SoftMax Pro 5.4). After the final readings, cells were fixed in 2% paraformaldehyde overnight.Data AnalysisPeak responses from each well were normalized to total cell mass as determined with crystal violet staining. See e.g., Ding, C. et al., ACS Chem. Neurosci 3 (7), 538-545 (2012). 
8914	1	BB2 Receptor Antagonistic Activity	A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultured using an RPMI-1640 medium containing 5% fetal bovine serum, and then a membrane sample was prepared by the following methods. The cells detached by a trypsin treatment were added with a 50 mM Tris-HCl buffer (pH 7.4, containing 0.2 mg/ml trypsin inhibitor and 0.2 mg/ml benzamidine), and homogenized by Polytron. The cell suspension was centrifuged at 1,500 rpm for 10 minutes, and the supernatant thus obtained was subjected to 1 hour of ultracentrifugation at 37,000×g. The precipitate was suspended in the aforementioned buffer to a concentration of 0.4 mg protein/ml, and stored at &#8722;80° C.The BB2 receptor binding test was carried out by the following method, and the receptor antagonistic activity of a compound to be tested was calculated. A 50 &#956;l of the membrane sample, 50 &#956;l of an assay buffer (20 mM HEPES-HBSS containing 0.1% bovine serum albumin and 0.1 mg/ml bacitracin, pH 7.4), 125I [Tyr4] bombesin (0.075 nM) and 2 &#956;l of the compound to be tested dissolved in dimethyl sulfoxide were added to a 96 well assay plate, and incubated at room temperature for 2 hours. Non-specific binding was measured using 1 &#956;M of bombesin. After completion of the incubation, the reaction solution was filtered through a Whatman GF/B filter which had been soaked in 0.5% polyethyleneimine. The radioactivity on the filter was measured using a microplate scintillation counter (Top Count, Perkin-Elmer Co., Ltd.).
8915	1	Kinase Assay	Syk and JAK: The activity of a specified compound as an inhibitor of a JAK kinase may be assessed in vitro or in vivo. In some embodiments, the activity of a specified compound can be tested in a cellular assay. Selectivity could also be ascertained in biochemical assays with isolated kinases.Similar types of assays can be used to assess JAK kinase inhibitory activity and to determine the degree of selectivity of the particular compound as compared to syk kinase. One means of assaying for such inhibition is detection of the effect of the compounds of the present invention on the upregulation of downstream gene products. In the Ramos/IL4 assay, B-cells are stimulated with the cytokine Interleukin-4 (IL-4) leading to the activation of the JAK/Stat pathway through phosphorylation of the JAK family kinases, JAK1 and JAK3, which in turn phosphorylate and activate the transcription factor Stat-6. One of the genes upregulated by activated Stat-6 is the low affinity IgE receptor, CD23. To study the effect of inhibitors (e.g., the 2,4-substituted pyrimidinediamine compounds described herein) on the JAK1 and JAK3 kinases, human Ramos B-cells are stimulated with human IL-4. 10 post-stimulation, cells are subjected to intracellular flow cytometry to measure the extent of STAT-6 phosphorylation. 20 to 24 hours post-stimulation, cells are stained for upregulation of CD23 and analyzed using flow cytometry. A reduction of the amount of phosphorylated STAT-6 and/or cell surface CD23 present compared to control conditions indicates that the test compound actively inhibits the JAK kinase pathway.
8916	1	Fluorescence Polarization Anisotropy Competition Assay	Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-one, Monroe, N.C., USA). The assay was run using either a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) or a fluorescein isothiocyanate-labeled BH3 peptide derived from Bim (FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2) that were purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 15 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). The Bim based assay was run with 1 nM FITC-Bim peptide and 1.5 nM recombinant Mcl-1 (residues 172-327) added to assay buffer (20 mM TRIS pH 7.5, 50 mM NaCl, 3 mM DTT, 0.01% CHAPS). For selectivity assays, 40 nM Bcl-2 (residues 1-207A96T,G110R, 35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer.
8917	1	No assay is provided	This is a review article.
8918	1	No assay is provided	This is a review article.
8919	1	ACCase Enzymatic Assay	Ustilago maydis acetyl CoA carboxylase (ACCase) was cloned, expressed, and purified as described (Weatherly et al, Biochem. J., 2004) and the test compounds were tested in a 96-well plate format. Primary in vitro screening consisted of obtaining dose response data at 100, 33, 10, and 1 &#956;M inhibitor. Actives in the primary screen were re-tested to establish IC50 values.Direct detection of the conversion of acetyl CoA to malonyl CoA by ACCase was not feasible, but during this process ATP is converted to ADP which allowed for detection through a standard reaction coupling with ADP recycling to the oxidation of NADH. Thus, ACCase activity was measured via kinetic OD340 measurements of the conversion of NADH to NAD in a coupled reaction involving the conversion of phosphoenolpyruvate (PEP) to lactate.The complete 200 ul reaction mixture contained 52.5 mM HEPES (pH8), 2.625 mM MgCl2, 1 mM ATP, 0.525 mM DTT, 11 mM NaHCO3, 1% DMSO with or without inhibitor, 1× pyruvate kinase/lactate dehydrogenase (PK/LDH), 0.3 mM NADH, 0.5 mM PEP, and 5 &#956;g ACCase. The reactions were incubated at 30° C. for 10 minutes and then initiated by the addition of 0.33 mM acetyl CoA. The initiated reactions were read immediately via plate reader at OD340 and kinetic readings were acquired every 20 s for 15 minutes while keeping the temperature at 30° C.A slope of the kinetic curve was determined by using the 2 to 7 minute data which was then calculated as percent inhibition relative to the no inhibitor control.The primary screens were conducted in duplicate and the IC50&#39;s conducted in triplicate. Averages were reported along with standard deviation calculation to generate error bars.Each plate contained its own controls and consisted of a DMSO only control, 5-fold titration series of soraphen from 2 &#956;M to 3.2 nM, and an ADP coupled reaction control.In order to effectively screen out non-specific modulators of pyruvate kinase and lactate dehydrogenase (the coupled portion of the reaction), a PK/LDH inhibition test was developed. The complete 200 &#956;l reaction mixture contained 52.5 mM HEPES (pH8), 2.625 mM MgCl2, 0.525 mM DTT, 11 mM NaHCO3, 1% DMSO with or without inhibitor, 1× pyruvate kinase/lactate dehydrogenase (PK/LDH), 0.3 mM NADH, and 0.5 mM PEP. The reactions were incubated at 30° C. for 10 minutes and then initiated by the addition of 66 &#956;M ADP. The initiated reactions were read immediately via plate reader at OD340 and kinetic readings were acquired every 20 s for 15 minutes while remaining at 30° C.A slope of the kinetic curve was determined by using the 2 to 7 minute data which was then calculated as percent inhibition relative to the no inhibitor control. Those compounds which had no significant PK/LDH inhibition at or above the IC50 in the ACCase assay, were considered to be valid modulators of only ACCase.
8920	1	In Vitro Enzyme Inhibition Assay - LSD-1	This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession number 060341) was purchased from Active Motif (Cat #31334).The enzymatic assay of LSD-1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD-1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD-1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005%0/Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD-1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD-1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD-1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).The ability of the compounds disclosed herein to inhibit LSD-1 activity was quantified and the respective IC50 value was determined.
8921	1	ATP-Biotin Probe Labeling and Inhibitor Competition	The ATP-biotin assay was performed in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 10 mM MgCl2, and 2% DMSO. Purified hKSR2-rMEK1 was assayed at 0.5 &#956;M. In particular, hKSR2-rMEK1 was pre-incubated with 20 &#956;M of the indicated compounds for 15 minutes. Then, ATP-biotin (Pierce Cat. #88310) was added to a final concentration of 2 &#956;M. Reactions were incubated at room temperature for 5 minutes before being stopped by the addition of 6×SDS loading dye. Samples were then electrophoresed on a 4-15% Tris-HCl SDS gradient gel, transferred to nitrocellulose membranes and blotted with Strepdavidin-HRP. Enhanced chemiluminescence signals corresponding to labeling on KSR2 and MEK1 were visualized and quantified using the Biodoc system (Biorad). Relative signals of Streptavidin HRP on bands corresponding to KSR2 and MEK1 in the presence of compounds relative to DMSO controls were used to determine Percent Inhibition of ATP Probe Labeling . Control experiments using ATP as a competitor were used to determine that the ATP-biotin probe specifically labels the active-site of KSR2 and MEK1. Representative results of the ATP-biotin assay are shown in FIGS. 1-2.ATPbiotin transfers a desthio-biotin group via a reactive acyl-phosphate linkage onto active-site lysines when bound to either KSR2 or MEK1 (Patricelli et al, Biochemistry, 2007, 46:350-358). It was confirmed that this label leads to a covalent attachment of desthiobiotin on KSR through detection with Streptavidin-HRP and intact mass spectrometry, the latter of which confirmed the addition of a two or one desthiobiotin groups (equivalent to a mass increase of 196.1 Da per desthiobiotin group) onto both KSR2 and MEK1, respectively, under non-saturating conditions. Without being bound by theory, competition experiments with free ATP suggested that ATPbiotin labeling occurred within the active sites of both KSR2 and MEK1, as shown in FIG. 3, and free ATP IC50 values of 86 &#956;M and 133 &#956;M, respectively, were measured as shown in FIG. 4. Results of the ATP based competition experiments support the utility of this assay for identifying direct binders of KSR2, MEK1, or both kinases within purified complexes.For the ATPbiotin labeling competition screen, samples were applied to a 4-20% Tris-HCl gel, separated, and then transferred to a nitrocellulose membrane. The membrane was blocked with 5% bovine serum albumin diluted in TBS-T for 30 minutes and subsequently probed with the Pierce High Sensitivity Streptavidin-HRP. After several washes, the membranes were visualized using enhanced chemiluminescence on a Biodoc (Biorad). IC50 values were determined under similar assay conditions with slight modifications: 0.1 &#956;M KSR2:MEK1 was pre-incubated with a dose-range of compounds (27 nM to 20 &#956;M in three-fold dilutions prior to the addition of ATPbiotin. Assays were quenched and analysed similarly to as described above. Sigmoidal dose response curves were used to derive IC50 values in Prism 6.0 (Graphpad).
8922	1	Assay of p38 Kinase Activity	Experimental Method: 40 nM p38a was added into a reaction buffer, which include 20 mM HEPES (4-hydroxyethylpiperazine ethanesulfonic acid), 5 mM MgCl2 and 1 mM DTT (dithiothreitol) at pH 7.4. 40 &#956;M phosphorylated peptide substrate was added, followed by different concentrations of drugs and 100 &#956;M ATP (adenosine triphosphate), and reacted for 90 minutes in dark. The fluorescence values were determined at excitation and emission wavelengths of 544 nM and 590 nM respectively. The IC50 values of the compounds were obtained according to the fluorescence values.
8922	2	CYP450 Enzyme Inhibition Test 	Experimental Method: 4-hydroxydiclofenac (the substrate for CYP450 and 2C9 enzymes) and different doses of compounds were added into human liver microsome (Xenotech, LLC), then NADPH (Reduce dcoenzyme II, Chem-impex international, Inc.) was added, mixed, and then incubated in 37° C. water bath, at the terminal time, the stop solution (200 ng/mL tolbutamide and 200 ng/mL labetalol dissolved in acetonitrile) was added to stop the reaction, methanol or ethanol was used to precipitate proteins, the concentration of the metabolites of substrates was determined by using LC-MS/MS to obtain the IC50 values of compounds on CYP450 and 2C9 enzyme.
8923	1	Automated Electrophysiology (Barra)	Ion Works Barracuda population patch clamp (PPC). PPC measurements were performed using an IonWorks Barracuda instrument (Molecular Devices Corporation, Union City, Calif.) using either PatchPlate PPC substrates (Molecular Devices Corporation) with 64 apertures per well. The ability to average currents from 64 recordings from each well greatly improves data consistency and recording success rates in the measurement of NaV1.7 mediated ionic currents. Calculated leak current was digitally subtracted from the total cell NaV1.7 current for each sample point acquired.NaV1.7 currents were elicited by a voltage clamp protocol designed to bias the NaV1.7 channels to their inactivated state as follows. From holding potential of &#8722;60 mV cells were briefly hyperpolarized to &#8722;100 mV for 1.25 sec, then stepped to &#8722;20 mV for 20 sec to inactivate the channels. This was followed by a relatively brief hyperpolarization to &#8722;100 mv for 300 ms, then a 20 msec test pulse to &#8722;20 mV to elicit the NaV1.7 current used to measure the pharmacology of all test compounds. Compounds were incubated for 600 sec between the pre- and post-compound reads. The external recording solution used was (in mM) 137 NaCl, 4 KCl, 1 MgCl2, 1.8 CaCl2, 10 Hepes, 10 glucose, pH to 7.4 with NaOH, and the internal solution used was (in mM) 100 K-gluconate, 40 KCl, 3.2 zMgCl2, 5 EGTA, 10 HEPES pH to 7.2 with KOH. The same solutions were used to record NaV1.5 currents, with the following voltage clamp protocol. NaV1.5 currents were elicited by a voltage clamp protocol designed to bias the NaV1.5 channels to their inactivated state as follows. From holding potential of &#8722;40 mV cells were briefly hyperpolarized to &#8722;100 mV for 300 ms, then stepped to &#8722;10 mV for 20 sec to inactivate the channels. This was followed by a relatively brief hyperpolarization to &#8722;100 mv for 30 ms, then a 20 msec test pulse to &#8722;10 mV to elicit the NaV1.5 current used to measure the pharmacology of all test compounds. HEK 293 cells expressing NaV1.7 and NaV1.5 channels, were used (Essen Biosciences, Ann Arbor, Mich.). Cells were cultured in T-175 flasks and passaged every 2 to 3 days at 1:3 to 1:6 seeding density dilutions. Cells were grown to 70% to 90% confluence in a flask and removed from the incubator (37° C., 5% CO2) 1 to 3 days after plating. Growth medium was aspirated from the culture flasks. Cells were gently rinsed with 10 ml of PBS (Catalog number: 14190144, Gibco) to remove residual media. Next a total of 2 mL TrypLE (Gibco) solution was added, and the flasks containing cells were sat for 3 min at RT, after which, the cells became visibly rounded and were easily dislodged from the bottom of the flask with a few brief taps on a solid surface. A total of 8 mL of media was added to the flask to inactivate the TrypLE, and the mixture was centrifuged at 910 rpm for 4 min. The cell supernatant was decanted, and the cell pellets were resuspended in 5-6 mL of external solution followed by gentle triturations using a 10 ml pipette, and transferred to a 15 ml conical tube and immediately brought to the IW Barracuda instrument. The cell suspension had a final concentration of 2 to 3 million cells per ml; this corresponds to 10,000 cells added per well.Peak membrane currents were analyzed with IW Barracuda software and exported to Excel for further analysis. Concentration response curve fitting was performed with BMS in-house software. IC50 values were obtained by fits of the Hill equation to the average percent inhibition data plotted versus compound concentration. Concentration-response curves for all test compounds were fitted to a 4-parameter equation: % of control=100 (1+([drug]/IC50)p)&#8722;1, where IC50 is the concentration of drug required to inhibit current by 50% and p is the Hill slope.
8923	2	Ligand Binding Assay (LBA)	hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK293 cells from a 10-stack cell culture flask (approximately 1010 cells) were dissociated, frozen, and stored at &#8722;80° C. To prepare membranes, the frozen cell pellet was thawed and suspended in 6 ml hypotonic lysis buffer (50 mM HEPES, 0.1% mammalian protease inhibitor cocktail). 1 ml of resuspended cells was added to an additional 6 ml of lysis buffer and homogenized with 30 strokes of a tight pestle in a glass homogenizer. Homogenate was centrifuged at 1000×g for 10 minutes at 4° C. and the resulting supernatant was further centrifuged at 38,500×g for 60 minutes at 4° C. The resulting pellet was resuspended in binding buffer (50 mM HEPES, 130 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2, 5 mM glucose, pH 7.4) and needle homogenized with a 25 gauge needle. Protein concentration was determined with a BCA protein assay. Purified membranes were aliquoted, flash frozen in an ethyl alcohol dry ice bath, and stored at &#8722;80° C. To measure displacement of a radiolabeled ligand, 50 &#956;g of purified hNaV1.7 HEK cell membranes were incubated with test compounds (eight concentrations, in duplicate) and 0.5 nM [3H] labeled radioligand in a 96 well plate for 24 hours at room temperature on a shaker. The total binding reaction volume was 250 &#956;l, consisting of 200 &#956;l purified hNaV1.7 HEK cell membranes, 25 &#956;l test compound, and 25 &#956;l radioligand. Non-specific binding was defined by 20 &#956;M of a reference hNaV1.7 inhibitor. Binding reactions were terminated by filtration through GF/B filters presoaked in 0.5% polyethyleneamine. Filters were washed 5 times with 2 ml each of 4&#8242;C wash buffer (50 mM Tris-HCl, pH 7.4 at 4° C.). Bound radioactivity captured on the filters was counted on a liquid scintillation counter. Specific binding, expressed as % inhibition, was fit with Graphpad Prism software to determine binding IC50 values.
8924	1	IP-One HTRF Assay	Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of compound in 100% DMSO were added in white small-volume 384-well plates using an Echo 555 (Labcyte) and were incubate for 30 min at 37° C. with 4 &#956;l of cells (15,000 cells per well) in stimulation buffer (HBSS with 20 mM HEPES, pH 7.4). IP1 production was initiated by addition of 4 &#956;l of 140 &#956;M SLIGRL-NH2 (SEQ ID NO.: 4) in stimulation buffer supplemented with 100 mM LiCl. After 60 min at 37° C. cells were lysed and IP1 concentrations were detected according to the manufacturers protocol (Cisbio). Data were normalized to IP1 concentrations using a IP1 standard curve according to the manufacturers protocol (Cisbio).
8924	2	Trypin Activated FLPR Assay	Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20 &#956;l DMEM with Glutamax supplemented with 10% FBS and incubated for 18-24 h at 37° C., 5% CO2 and 95% humidity. Cells were loaded with 20 &#956;l Fluo-8 NW calcium dye (Cat: 36316, AAT Bioquest) and kept at 37° C. for 30 min prior to addition of 10 &#956;l compound prepared in 20 mM HEPES pH 7.4, HBSS, 2.5% DMSO, 0.1% BSA and 6 &#956;M Vorapaxar (to block Trypsin induced activity of PAR1). The addition was done using a FLIPRTETRA (384-well head, Molecular Devices) and the response was read simultaneously to detect any agonist activity. The cells were incubated for 30 min at room temperature with the compounds and were then evaluated for antagonist activity by addition of 10 &#956;l 234 nM Trypsin prepared in 20 mM HEPES pH 7.4, HBSS and 0.1% BSA and simultaneous detection of calcium mobilization using the FLIPRTETRA.
8925	1	PXR Binding Assay	The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer&#39;s instructions (Invitrogen) with minor modifications. Briefly, the binding assays were performed in 384-well low volume (20 &#956;l per well) solid black plates with 5 nM GST-hPXR ligand-binding domain, 40 nM fluorescent-labeled hPXR ligand (Fluormore PXR Green, also referred to as a &#147;tracer&#148;), 5 nM terbium-labeled anti-GST antibody, and test compound at a variety of concentrations. DMSO (0.4%) was used as the negative control (0% inhibition) and a potent hPXR agonist, SR-12813 at 10 &#956;M (with 0.4% DMSO) was used as the positive control (100% inhibition). The activities of individual chemicals tested at various concentrations (1-to-2 series dilutions for 16 concentration levels from 40 &#956;M with 0.4% final DMSO concentration) were normalized to positive and negative controls to generate % Inhibition (PMID: 18784074).In the reaction mixture, GST-hPXR forms a complex with the terbium-labeled anti-GST antibody and the tracer. Excitation of terbium (the donor) using a 340-nm excitation filter results in energy transfer to the fluorophore of the tracer. This energy transfer is detected by an increase in the fluorescence emission of the tracer at 520 nm and a decrease in the fluorescence emission of terbium at 495 nm. The FRET ratio was calculated by dividing the emission signal at 520 nm by the emission signal at 495 nm. A competitor compound such as SR-12813 replaces the tracer from the complex and decreases the FRET ratio accordingly. The reactions were incubated at 25° C. for 30 min before measuring the fluorescent emission of each well at 495 and 520 nm using a 340-nm excitation filter, 100-&#956;s delay time, and 200-&#956;s integration time, with a PHERAStar plate reader (BMG Labtech, Durham, N.C.). The curve-fitting software GraphPad Prism 4.0 (Graphpad Software, La Jolla, Calif.) was used to generate the dose response curves and determine the IC50 values for individually tested compounds if applicable. 
8925	2	hPXR Tranxactivation Assays	The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luciferase reporter. Briefly, various concentrations (1-to-3 series dilutions for 10 concentration levels from 40 &#956;M with 0.5% final DMSO concentration) of hPXR agonist rifampicin, various concentrations of tested chemicals alone or combined with 5 &#956;M of rifampicin, were added to the wells of white 384-well tissue culture-treated plates with 5,000 cells in 25 &#956;l of phenol red-free DMEM supplemented with 5% charcoal/dextran-treated FBS and incubated for 24 h at 37° C. before luciferase assay using Steadylite HTS (PerkinElmer Life Sciences). The luminescence signal was detected using an Envision plate reader (PerkinElmer Life Sciences). In the agonistic assays, DMSO (0.5% final concentration) was used as the negative control (0% activation) and rifampicin (10 &#956;M in 0.5% DMSO) was used as the positive control (100% activation). In the antagonistic assays, rifampicin (5 &#956;M with 0.5% final DMSO concentration) was used as the negative control (0% inhibition) and DMSO (0.5%) was used as the positive control (100% inhibition). The activities of individual chemicals tested at various concentrations were normalized to the corresponding positive and negative controls to generate % Activation in agonistic assays and % Inhibition in antagonistic assays. The curve-fitting software GraphPad Prism 4.0 (Graphpad Software, La Jolla, Calif.) was used to generate the dose response curves and determine the IC50 (for hPXR antagonists) or EC50 (for hPXR agonists) values for individually tested compounds if applicable.
13229	1	KHK Biochemical Assay	Compounds were tested for KHK enzyme inhibition in a high-throughput 384-well assay format using the ADP-Glo assay (Promega) in buffer consisting of 50 mM Hepes (pH 7.4), 140 mM KCl, 5 mM MgCl2 and 0.01% Triton-X. 0.2 nM. KHK-C or KHK-A enzyme was used in this assay with 0.5 mM (2×Km) ATP and 1.5 mM or 10 mM fructose (5×Km) for KHK-C and KHK-A, respectively. Compounds were serially diluted (1:3) in DMSO. The LabCyte ECHO Acoustic dispenser system was used to pre-spot the assay plates (384-well Non-Binding Surface plates, Corning, Catalog #3824) with 50 nL (200-fold final dilution) of compound.The compounds were pre-incubated with 5 μL of 2× final enzyme concentration for 30 minutes before adding 5 μL of 2× final concentration of ATP and fructose. The plates were incubated at room temperature for 4 hours before adding ADP-Glo reagent to quench the enzyme reaction, followed by incubation at room temperature for 1 hour. The ADP-Glo detection reagent was then added to the plates and luminescence was measured on the Envision plate reader after 1 hour. The addition of enzyme, substrates and ADP-Glo reagents to the plates was performed using the BioTEK EL406 liquid dispenser using the 5 μL dispensing cassette (BioTek 7170011). IC50 values were defined as the compound concentration that causes a 50% decrease in luminescence signal and were calculated using a sigmoidal dose-response model to generate curve fits.
8927	1	Rat ADAMTS-5 assay	The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat#781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM TRIS pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS) containing rnADAMTS-5 (0.5 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 120 min at 37° C. (Excitation 485 nm, emission 535).
8927	2	hADAMTS-5 assay	The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS-5.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat#781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS, 5% glycerol) containing hADAMTS-5 (0.5 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at Room Temperature (Excitation 485 nm, emission 530).
8927	3	hADAMTS-6 Assay	The basis for the assay is the cleavage of the substrate 520 MMP FRET substrate XII by human ADAMTS6.The substrate contains sequence Arg-Pro-Lys-Pro-Tyr-Ala-Nva-Trp-Met-Lys (SEQ ID NO: 7) with attached a fluorescent probe and a quencher. Without ADAMTS6, the emission of the probe is quenched. If the substrate is cleaved by ADAMTS6, the emission of the probe is not quenched anymore. Inhibition of ADAMTS6 activity, will result in a decrease of the signal.To perform the assay, 4 &#956;L of a dilution series of compound in water, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. 2 ng ADAMTS6 enzyme is diluted in 25 mM Tris pH8.0, 0.05% CHAPS, 2.5 mM CaCl2 in a total volume of 26 &#956;L (final concentration 0.73 nM). The reaction is started by addition of 10 &#956;L of 1 &#956;M 520 MMP FRET Substrate XII (final concentration, diluted in same buffer as described above) and the mixture is incubated at 37° C. for 2 h. The negative control (0% inhibition) is 1% DMSO and the positive control (100% inhibition) is 10 &#956;M Prinomastat in 1% DMSO. After this incubation, cleavage of the substrate is measured using the Envision (Perkin Elmer, exc485/em530).
8927	4	hTACE assay	The basis for the assay is the cleavage of the substrate 5FAM-LAQAVRSSSRK-5TAMRA (SEQ ID No 3) (Anaspec, custom 34891) by human TACE (R&D SYSTEMS INC., Cat#930-ADB).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat#781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (25 mM Tris pH8.0, 2.5 &#956;M ZnCl2, 0.01% CHAPS) containing TACE (0.05 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 5FAM-LAQAVRSSSRK-5TAMRA (5 &#956;L, 5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 75 min at room temperature (Excitation 485 nm, Emission 530).
8927	5	hMMP13 assay	The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat# AS-27076) by human MMP13 (Chemicon, Cat#CC068).For the dose response (10 point), 4 &#956;L of a dilution series of compound (20 &#956;M highest concentration, 1/5 dilution in water), is transferred to 384 well Fluotrac 200 plate (Greiner, cat#781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 &#956;M ZnCl2) containing MMP13 (0.01 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP13 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 h at 37° C.The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at room temperature (Excitation 485 nm, Emission 530).
8927	6	hMMP14 assay	The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat# AS-27076) by human MMP14 (Biomol, Cat#SE-259).For the dose response (10 point), 4 &#956;L of a dilution series of compound 2 mM highest concentration, 1/5 dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat#781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM MOPS pH7, 5 mM CaCl2, 1 &#956;M ZnCl2, 0.1% Brij-35) containing MMP14 (0.05 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, Emission 530).
8926	1	IDH1-R132H and IDH1-R132C Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 &#956;M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with the four parameter logistic equation.
8907	1	S1P1 assay	The method involves contacting the receptor with a suitable concentration of an inventive compound to bring about activation of the receptor. The contacting can take place in vitro, for example in carrying out an assay to determine the S1P receptor activation activity of an inventive compound undergoing experimentation related to a submission for regulatory approval.
8905	1	MDM2-p53 Interaction Using a 96-Well Plate Binding Assay (ELISA)	The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 &#956;l per well of 1 &#956;g ml&#8722;1 biotinylated IP3 peptide. The plates were ready to use for MDM2 binding after washing the plate with PBS.Compounds and control solutions in DMSO aliquoted in 96-well plates were pre-incubated in a final 2.5-5% (v/v) DMSO concentration at room temperature (for example 20° C.) for 20 min with 190 &#956;l aliquots of optimized concentrations of in vitro translated MDM2, before transfer of the MDM2-compound mixture to the b-IP3 streptavidin plates, and incubation at 4° C. for 90 min. After washing three times with PBS to remove unbound MDM2, each well was incubated at 20° C. for 1 hour with a TBS-Tween (50 mM Tris pH7.5; 150 mM NaCl; 0.05% Tween 20 nonionic detergent) buffered solution of primary mouse monoclonal anti-MDM2 antibody (Ab-5, Calbiochem, used at a 1/10000 or 1/200 dilution depending on the antibody stock solution used), then washed three times with TBS-Tween before incubation for 45 mins at 20° C. with a TBS-Tween buffered solution of a goat-anti-mouse horseradish peroxidase (HRP) conjugated secondary antibody (used at 1/20000 or 1/2000 depending on the antibody stock solution). The unbound secondary antibody was removed by washing three times with TBS-Tween. The bound HRP activity was measured by enhanced chemiluminescence (ECL , Amersham Biosciences) using the oxidation of the diacylhydrazide substrate, luminol, to generate a quantifiable light signal. The percentage of MDM2 inhibition at a given concentration is calculated as the [1&#8722;(RLU detected in the compound treated sample RLU negative DMSO control)÷(RLU of DMSO positive and negative controls)]×100 or as the (RLU detected in the compound treated sample÷RLU of DMSO controls)×100. The IC50 was calculated using a plot of % MDM2 inhibition vs concentration and is the average of two or three independent experiments.
8928	1	Kinase Activity Inhibition Assay	Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 M, FGFR1 substrate); and Poly [E,Y] 4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology (Labcyte Echo 550, Sunnyvale, Calif.)(see, Olechno et al., 2006, Improving IC50 results with acoustic droplet ejection. JALA 11, 240-246) and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, a mixture of ATP (Sigma-Aldrich ) and 33P- -ATP (PerkinElmer) was added to a final concentration of 10 M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature and then spotted onto Whatman P81 ion exchange filter paper.
8929	1	Time Resolved Fluorescence (TRF) Assay	The probe binding HDAC11 assay was performed using a time resolved fluorescence (TRF) assay format. Recombinant N-terminal GST tag full-length human HDAC11 was expressed and purified from baculovirus in Sf9 insect cells (SignalChem, # H93-30G-1000). Each assay was performed in 1536 black well microplates (Corning, #3936) in a final volume of 8 L in assay buffer containing 50 mM HEPES (pH 7.5), 50 mM KCl, 50 mM NaCl, 0.5 mM GSH (L-Glutathione reduced, Sigma #G4251), 0.03% BGG (0.22 M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). 100 nL of 10-point, 3-fold serial dilution in DMSO was pre-dispensed into respective wells of 1536 assay plates for a final test concentration range of 25 M to 1.3 nM respectively. The final concentration in the assay of HDAC11 and probe (a fluorescein labeled HDAC 11 inhibitor) was 2.5 nM and 20 nM respectively. 4 L of 2 probe and 2 anti-GST Terbium (Cisbio, #61GSTXLB) was added to assay plates followed by 4 L of 2 HDAC11. Plates were incubated for 16 hours at room temperature before time resolved fluorescence was read on the Envision (Excitation at 340 nm, and Emission at 485 nm and 535 nm, Perkin Elmer).
8930	1	Enzyme Assay	HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 uM delta aminolevulinic acid for 48 h at 16&deg; C. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 uM methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDO1 concentration of 40 nM. IDO1 solution (30 uM) or buffer alone (30 uM) were dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at RT for 30 min. Afterwards, 10 uL of 400 uM tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at RT for 60 min and reactions were quenched by addition of 10 uL of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37&deg; C. for 4 h or 50&deg; C. for 2 h. The plates are allowed to cool and then centrifuged for 1 min at 1000 ug. The resulting fluorescence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.
8931	1	Human AMCase Activity Assay	An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-Methylumbelliferyl B-D-N,N&#8242;-diacetylchitobioside hydrate was used as a substrate for the enzyme. Upon hydrolysis by AMCase, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of hAMCase recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Buffer (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
8931	2	HumanCHIT1 Activity Assay	An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC: 276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-methylumbelliferyl &#946;-D-N,N&#8242;,N&#8243;-triacetylchitotriose was used as a substrate for the enzyme. Upon hydrolysis by CHIT1, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm.Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of CHIT1 recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Solution (pH 10.5) to each well. The fluorescence of the reaction product was measured in Perkin Elmer Envision fluorescent plate reader at an excitation wavelength of 355 nm. 
8932	1	Binding Assay	The affinity of the test compounds was determined by radioligand competition binding assay, using the known compound [3H]Ro-15-1788 (Flumazenil) (Perkin Elmer, 85.4 Ci/mmol) and the human recombinant GABA A receptor containing the alpha2, beta2, and gamma2 subunits.Membranes were prepared from HEK cells expressing hGABA A alpha2beta2-gamma2 receptor, and validated to ascertain protein concentration, receptor expression and to determine the Kd of the flumazenil as well as the Ki of a standard set of compounds before being used to test new compounds.The assay was carried out in 96 well plates; testing compounds using a 10 point semi-log dilution range from 19 uM top concentration. 100 ul of radioligand and 100 ul of membrane in 50 mM Tris-HCl and 0.05% F127 with 1 ul of test compound was incubated for 2 hours to allow the reaction to achieve equilibrium, and then harvested onto filter plates, dried and counted on a TopCount NXT. The data was analysed, and the Ki values were presented as the geometric mean of at least two replicates.
8933	1	Kinase Activity Assay	Akt1 was prepared and assays of inhibitory activity of the compound according to the present invention against Akt1 kinase activity in vitro were conducted according to the method described in Biochem. J., vol. 385, pp. 399-408, 2005 and Cancer Res., vol. 68, pp. 2366-2374, 2008. In the preparation of Akt1 protein, human Akt1 tagged with the middle T antigen was expressed in an insect cell Sf9, Akt1 was prepared through affinity purification and activation by PDK1, and the resultant was stored at &#8722;80° C. until the inhibition assays of the compounds. In the inhibition assay of the compounds, Akt1 and the compound according to the present invention were subjected to pre-incubation at 25° C. for 120 minutes in a reaction buffer (15 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 2 mM DTT). Subsequently, biotinylated Crosstide (biotin-KGSGSGRPRTSSFAEG, Millipore), MgCl2, and ATP were added as substrates at the final concentration of 500 nM, 10 mM, and 150 &#956;M, respectively, and the reaction was allowed to proceed at 25° C. for 60 minutes. EDTA was added to the final concentration of 40 mM to terminate the reaction, a detection liquid containing the Eu-anti-phospho-Crosstide antibody (PerkinElmer) and SureLight APC-SA (PerkinElmer) at the final concentration of 0.5 nM and 62.5 nM, respectively was added, and the reaction was allowed to proceed at room temperature for 2 hours. In the end, the fluorescence levels irradiated with an excitation light of 337 nm were assayed at two different wavelength levels (i.e., 620 nm and 665 nm) using PI-HERAstar FS (BMG LABTECH) or PHERAstar (BMG LABTECH). 
8933	2	QSS Assist FP assay	Rsk1: Inhibitory activity of the compound according to the present invention on Rsk1 kinase activity in vitro was assayed using the QSS Assist FP assay kit (Carna Biosciences, Inc.).In the inhibition assay of inhibitory activity of the compound, the test compound was diluted by serial dilution with dimethyl sulfoxide (DMSO). Subsequently, an Rsk1 protein, a substrate peptide (final concentration: 100 nM), magnesium chloride (final concentration: 10 mM), ATP (final concentration: 30 &#956;M), and the solution of the test compound in DMSO (DMSO final concentration: 5%) were added to the kinase reaction buffer (20 mM HEPES (pH 7.4), 2 mM dithiothreitol, 0.01% Tween-20), and the mixture was incubated at 25° C. for 40 minutes to perform the kinase reaction. The IMAP Progressive Binding Reagent diluted to 400-fold with the IMAP Progressive Binding Buffer A (Molecular Devices, LLC) was added to terminate the kinase reaction. The reaction product was allowed to stand at room temperature in the dark for 120 minutes and assayed with the use of PHERAstar (BMG LABTECH; excitation wavelength: 485 nm; detection wavelength: 520 nm). The phosphorylation reaction level was determined based on the degree of fluorescence polarization, and the concentration of the compound at which phosphorylation could be inhibited by 50% was defined as the IC50 level (nM) 
8933	3	QSS Assist FP assay	S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP assay kit (Carna Biosciences, Inc.).In the inhibition assay for inhibitory activity of the compound, the test compound was diluted by serial dilution with dimethyl sulfoxide (DMSO). Subsequently, an S6K protein, a substrate peptide (final concentration: 100 nM), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 25 &#956;M), and the solution of the test compound in DMSO (final DMSO concentration: 5%) were added to the kinase reaction buffer (20 mM HEPES (pH 7.4), 2 mM dithiothreitol, 0.01% Tween-20), and the mixture was incubated at 25° C. for 30 minutes to perform the kinase reaction. The IMAP Progressive Binding Reagent diluted to 400-fold with the IMAP Progressive Binding Buffer A (Molecular Devices, LLC) was added thereto to terminate the kinase reaction. The reaction product was allowed to stand at room temperature in the dark for 120 minutes and assayed with the use of PHERAstar (BMG LABTECH; excitation wavelength: 485 nm; detection wavelength: 520 nm). The level of phosphorylation reaction was determined based on the degree of fluorescence polarization, and the concentration of the compound at which phosphorylation could be inhibited by 50% was defined as the IC50 level (nM).
8934	1	Ca2+ Flux Assay	G ±15 HEK293 cells stably expressing rat mGlu2 were plated in black-walled, clear-bottomed, poly-D-lysine coated 384-well plates in 20 L of assay medium (DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 1 mM sodium pyruvate) at a density of 12K cells/well. The cells were grown overnight at 37 ° C. in the presence of 5% CO2. The next day, medium was removed and the cells incubated with 20 L of 2.3 M Fluo-4, AM prepared as a 2.3 mM stock in DMSO and mixed in a 1:1 ratio with 10% (w/v) pluronic acid F-127 and diluted in assay buffer (Hank&#39;s balanced salt solution, 20 mM HEPES, and 2.5 mM probenecid) for 45 minutes at 37 ° C. Dye was removed, 20 L of assay buffer was added, and the plate was incubated for 5 minutes at room temperature.
8935	1	Caliper-Based Kinase Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kinase activity of a compound of Formula (I). Serial dilutions of test compounds were incubated with either human recombinant FGFR1 (0.5 nM), FGFR2 (0.1 nM, FGFR3 (0.9 nM), or FGFR4 (2 nM), ATP (FGFR1: 100 &#956;M; FGFR2: 75 &#956;M; FGFR3: 120 &#956;M; FGFR4: 250 &#956;M) and a phosphoacceptor peptide substrate FAM-KKKKEEIYFFF-CONH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper LabChip 3000.
8936	1	Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TKOPEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22 ° C., the reaction was quenched by adding 8 L of quench solution containing 31.25 nM Sa-XL665 and 1 &#151;TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TKOPEC). After a 1 hour incubation at 22 ° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions.
8936	2	RET G810R Mutant Assay	The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TKOPEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TKOPEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
8937	1	TR-FRET Assay	Activity of the compounds was investigated using TACE (ADAM17) isolated enzyme. The screening of ADAM17 inhibitors was performed with a profluorescent peptidic substrate (Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2) which contains a highly fluorescent 7-methoxycoumarin (Mca) group that is efficiently quenched by resonance energy transfer to the 2,4-dinitrophenyl group (Dpa). Mca fluorescence was quenched by the Dpa group until cleavage by ADAM17 at the Ala-Val bond separates the two moieties.The enzymatic reaction was performed in 384-well microplates with a final volume of 10 uL containing 1% DMSO. Recombinant Human ADAM17 catalytic domain (500 nM) was assayed with 40 uM of substrate and serial dilutions of tested inhibitors (from 10000 nM to 0.04 nM). After two hours of incubation at room temperature, the fluorescence was measured using a microplate reader (320/425 nm).
8937	2	Inhibition Assay	The enzymatic reaction was performed in 384-well microplates with a final volume of 10 L containing 1% DMSO. Recombinant Human catalytic domains of MMP1 were assayed with the substrate according to supplier recommendation (ENZO life sciences) and after a preincubation with serial dilutions of tested inhibitors (from 10000 nM to 0.04 nM). After 10 minutes of incubation at room temperature, the fluorescence was measured using a microplate reader (320/425 nm). Data were normalized using the average of positive controls (enzyme with no inhibitor) and negative controls (no enzyme). IC50 were calculated using a four-parameters logistic model.
8938	1	Z-lyte Assay 	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions. This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1x Kinase buffer to final concentrations of 0.19 uMg/mL, 30 uM, and 4 uM respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Additionally, an 11-point dose-response curve of Staurosporine (1 M top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
8938	2	Z-lyte Assay	GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3B kinase, ATP and Ser/Thr peptide 09 are prepared in 1x Kinase buffer to final concentrations of 0.04 ug/mL, 46 uM, and 4 uM respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
8939	1	h-NAAA Assay	HEK293 cells stably transfected with the human NAAA coding sequence cloned from a human spleen cDNA library (catalog no. 639124, Clontech, Mountain View, Calif., USA) were used as enzyme source. The assay was run in 96-well microplates (Black OptiPlate -96 F; PerkinElmer, Massachusetts, USA), in a total reaction volume of 200 &#956;L. hNAAA protein preparation (4.0 &#956;g) was pre-incubated for 10 minutes with various concentrations of test compounds or vehicle control (5% DMSO) in 100 mM citrate/phosphate buffer (pH 4.5) containing 3.0 mM DTT, 0.1% NP40 0.1%, 0.05% BSA, 150 mM NaCl. N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide (PAMCA) was used as a substrate (5.0 &#956;M) and the reaction carried for 50 min at 37° C. Fluorescence was measured with EnVision 2014 Multilabel Reader (PerkinElmer, Massachusetts, USA) using an excitation wavelength of 340 nm and emission 450 nm. IC50 values were calculated by non-linear regression analysis of log[concentration]/inhibition curves using GraphPad Prism 5 (GraphPad Software Inc., CA, USA) applying a standard slope curve fitting.
8940	1	Biological Assay	TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX calls Prolink (PK); additionally, Shc1 is fused with a larger fragment, which is called Enzyme Acceptor (EA). Activation of the TrkA receptor, upon NGF addition, results in the kinase domain being phosphorylated, resulting in subsequent recruitment of Shc1-EA protein. That recruitment results in an active B-galactosidase enzyme that is detected by addition of a chemiluminescent substrate. The human p75NTR protein was also expressed as a co-receptor for NGF.
8941	1	Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
8942	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody(PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). 
8943	1	Binding Assay	The composition of the assay mixtures [in a final volume of 200 &#956;L in 96-well U-bottom plates (Greiner) was as follows: 50 mM Tris-HCl buffer, pH 7.7, 10 mM MgCl2, 0.2 mM EGTA, 2 mM CaCl2, 100 mM NaCl, 20 &#956;M guanosine 5&#8242;-diphosphate (Sigma), 0.3 nM [35S]GTPgS (1250 Ci/mmol (PerkinElmer)), and the test compounds at increasing concentrations (from 10 nM up to 10 &#956;M), 10 &#956;g of rat cortical membranes, and a concentration of 1 &#956;M GABA, that has been observed in previous experiments to correspond to the EC25, a concentration that gives 25% of the maximal response of GABA. The samples were incubated at room temperature for 60 minutes on a shaker. The incubation was stopped by rapid vacuum filtration over glass-fiber filter plates (UniFilter-96 well, GF/B membrane plates, PerkinElmer) using a 96-well plate harvester (TOMTEK Harvester). The UniFilter plate was washed five times with ice-cold wash buffer (50 mM Tris-HCl buffer, pH 7.7, 10 mM MgCl2, and 100 mM NaCl. After filtration the plate was dried for 90 minutes at 55° C. The plates were closed on the bottom with black sealing membranes, and liquid scintillation cocktail (35 &#956;L, Betaplate Scint, PerkinElmer) was added to each well. After sealing the top of the plate, an additional incubation step of 90 minutes at room temperature followed before measuring the plate. The amount of membrane-bound [35S]GTPgS was measured using a 96-well plate reader (Microbeta , PerkinElmer). 
8944	1	MERS-CoV nLUC in Calu-3	At 48 hours prior to infection, Calu-3 2B4 cells were plated in a 96-well black-walled clear bottom plate at 5x104 cells/well. A 10 mM stock of NHC was serially diluted in 100% DMSO in 3-fold increments to obtain a ten-point dilution series. MERS-nLUC was diluted in DMEM supplemented with 10% FBS, and 1% Antibiotic-Antimycotic to achieve a multiplicity of infection (MOI) of 0.08. Cells were infected and concurrently treated with NHC in triplicate per drug dilution for 1hr, after which viral inoculum was aspirated, cultures were rinsed once and fresh medium containing drug or vehicle was added. At 48 hours post infection, nanoluciferase expression as a surrogate for virus replication was quantitated on a Spectramax plate reader (Molecular Devices) according to the manufacturer s instructions (Promega, NanoGlo). For the 100% inhibition control, diluted MERS-nLUC was exposed to short-wave UV light (UVP, LLC) for 6 min to inhibit the ability of the virus to replicate. For the 0% inhibition control, cells were infected in the presence of vehicle only. DMSO was kept constant in all conditions at 0.05%. Values from triplicate wells per condition were averaged and compared to controls to generate a percent inhibition value for each drug dilution. The IC50 value was defined as the concentration at which there was a 50% decrease in luciferase expression. Data were analyzed using GraphPad Prism 8.0. The IC50 values were calculated by non-linear regression analysis using the dose-response (variable slope) equation (four parameter logistic equation): Y = Bottom + (Top-Bottom)/(1+10^((LogIC50-X)*HillSlope)).
8944	2	SARS-CoV-2 in Vero E6	Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SARS-CoV-2 (2019-nCoV/USA-WA1/2020 strain) at an MOI of 0.05. 48 hours post infection, cell viability was measured by CellTiter Glo assay.
8944	3	SARS-CoV-2 in Calu-3	Calu-3 2B4 cells were adsorbed with MOI 0.1 PFU/cell of SARS-CoV-2 (2019-nCoV/USA-WA1/2020 strain) at 37°C. Plates were manually rocked every 10 min to redistribute the inoculum. After 30 min, virus inoculum was removed, cells were washed with Phosphate buffered saline (PBS) once to remove unbound virus, medium containing NHC or vehicle control (DMSO) was added back onto the cells, and cells were incubated for 72 hours at 37°C.
8945	1	DRC analysis by immunofluorescence	Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2&#8201;×&#8201;104 cells per well in DMEM, supplemented with 2% FBS and 1× antibiotic-antimycotic solution (Gibco), in black, 384-well &#956;Clear plates (Greiner Bio-One) 24 h prior to the experiment. Ten-point DRCs were generated, with compound concentrations ranging from 0.1 to 50&#8201;&#956;M. For the viral infections, plates were transferred into the BSL3 containment facility and SARS-CoV-2 was added at a multiplicity of infection (MOI) of 0.0125. The cells were fixed at 24 hours postinfection (hpi) with 4% PFA and analyzed by immunofluorescence. The acquired images were analyzed using in-house software to quantify cell numbers and infection ratios, and antiviral activity was normalized to positive (mock) and negative (0.5% DMSO) controls in each assay plate. DRCs were fitted by sigmoidal dose-response models, with the following equation: Y = bottom + (top &#8722; bottom)/[1 + (IC50/X)Hillslope], using XLfit 4 software or Prism7. IC50 values were calculated from the normalized activity data set-fitted curves. All IC50 and 50% cytotoxic concentration (CC50) values were measured in duplicate, and the quality of each assay was controlled by Z -factor and the coefficient of variation in percent (%CV).
8946	1	3H-SB222200 Binding Competition Assay with Human NK-3 Receptor	The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells which express the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200_(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of the compounds of the invention. The amount of tritiated SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
8947	1	PRMT5 Biochemical Assay	A histone H4 derived peptide is used as substrate (amino acid sequence: Ser-Gly-Arg-Gly-Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-NH2). Full-length PRMT5 enzyme (NCBI Reference sequence NP_006100.2) was co-expressed with His6-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatography (&#147;the enzyme&#148;).The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener&#153; EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision&#153; plate reader in fluorescence polarisation mode. IC50 values were obtained from the raw readings by calculating percent inhibition (% I) for each reaction relative to controls on the same plate (% I=(I&#8722;CN)/(CP&#8722;CN) where CN/CP are the averages of the negative/positive reactions, respectively), then fitting the % I data vs. compound concentration [I] to % I=(A+((B&#8722;A)/(1+((C/[I]){circumflex over (&#8195;)}D)))) where A is the lower asymptote, B is the upper asymptote, C is the IC50 value, and D is the slope.
8947	2	PRMT5 Biomarker Assay	The cell line TE11 was seeded at a density of 6,000 cells per well in 96 well optical quality tissue culture plates in DME medium and 10% foetal bovine serum, and allowed to adhere for 5 hours under standard culture conditions (37 degree Celsius, 5% CO2). Compound dilutions prepared in DMSO were added to the medium, with negative control wells reserved for treatment with DMSO only and maximum inhibition controls receiving a potent PRMT5 inhibitor compound at 1 &#956;M concentration. After incubation for 72 hours, the cells were fixed with 3.7% formaldehyde in PBS for 30 minutes at room temperature, washed with phosphate buffer saline and blocked with Odyssey blocking buffer (LI-COR, Lincoln, Nebr.). Rabbit anti-Di-Methyl Histone H4 Arginine 3 specific antibody (Epigentek) in Odyssey blocking buffer was added and incubated for 14 hours at 4 degree Celsius. After washing, anti-rabbit secondary antibody labelled with Alexa647 dye (LifeTechnologies) and Hoechst 33342 (1 &#956;g/mL, SigmaAldrich) were added for 1 hour incubation. Plates were washed and read on a PerkinElmer Envision 2103 in fluorescence intensity scanning mode (24 scans across the well area). The plates were imaged on a PerkinElmer Phenix high content imaging platform. Using a Columbus image analysis pipeline, individual nuclei were located by Hoechst 33342 stain and the methylation level was calculated from the Alexa647-related intensity in the same area. IC50 values were obtained from the mean Alexa647-related intensity per cell by calculating percent inhibition (% I) for each well relative to controls on the same plate (% I=(I&#8722;CN)/(CP&#8722;CN) where CN/CP are the averages of the negative/maximum inhibition controls, respectively), then fitting the % I data vs. compound concentration [I] to [I] to % I=(A+((B&#8722;A)/(1+((C/[I]){circumflex over (&#8195;)}D)))) where A is the lower asymptote, B is the upper asymptote, C is the IC50 value, and D is the slope.
8948	1	CHO Cellular Assay	Chinese hamster ovary (CHO) cells overexpressing soluble guanylate cyclase were generated to test the effect of sGC activators in a cellular context. Human cDNAs for GUCYA3 (RefSeq: NM_000856.3) and GUCYB3 (RefSeq: NM_000857.1) were amplified by PCR from a HUVEC (Human Umbilical Vein Endothelial Cells) cDNA library and cloned into mammalian expression vectors. CHO K1 cells (ATCC CCL-61) were transfected using Lipofectamine 2000 following manufacturer&#39;s instructions and stably expressing clones were identified by antibiotic selection. CHO GUCY clone 8E10 was used for subsequent experiments.Cells were seeded at a density of 3000 cells/well in white 384-well proxyplates (Perkin Elmer) and incubated overnight, then the medium was removed and cells were washed with assay buffer (HBSS, 0.1% BSA. 1 mM IBMX, 20 uM ODQ). sGC activators were serially diluted in DMSO, then diluted in assay buffer prior to adding to cells (10 ul/well, final DMSO concentration 0.5%). Cells were incubated with compounds for 1 h room temperature, then assayed for cGMP production using Cisbio cGMP HTRF kit (62GM2PEC) according to manufacturer&#39;s instructions.The EC50s are calculated based on the amount of cGMP interpolated from the standard curve, using a 4-parameter sigmoidal dose-response.
8949	1	Enzymatic Assay for Inhibition of PARP7	Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 &#956;L volume by adding 6 &#956;L of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 &#956;L of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6xHis and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 &#956;s delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. Control wells containing a negative control of 0.25% DMSO vehicle or a positive control of 100 &#956;M Example 190 were used to calculate the % inhibition as described below:% &#8290; &#8290; inhibition = 100 × TRF cmpd - TRF min TRF max - TRF minwhere TRFcmpd is the TR-FRET ratio from the compound treated well, TRFmin is the TR-FRET ratio from the Example 190-treated positive control well and TRFmax is the TR-FRET ratio from the DMSO-treated negative control well.The % inhibition values were plotted as a function of compound concentration and the following 4-parameter fit was applied to derive the IC50 the values:Y = Bottom + ( Top - Bottom ) ( 1 + ( X IC 50 ) Hill &#8290; &#8290; Coefficientwhere top and bottom are normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient is normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and x is the compound concentration. 
8950	1	Biochemical Assays	iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, ACS Chem. Biol. 2015, 10, 279-288.All reagents for HTRF experiments were purchased from Cisbio Bioassays, France. OriginPro 9.1G software (OriginLab Corporation, Northhampton, Mass.) was used for data analysis and data was fit to a sigmoidal dose-response model using the following four-parameter logistic equation:y = A 2 + ( A 2 - A 1 ) ( 1 + ( x IC 50 ) p ) ( 1 ) (A1: bottom asymptote; A2: top asymptote; IC50: half-maximal inhibitory concentration; p: Hill coefficient) Kinetic Characterization of Covalent Probe Compounds:Time-dependent IC50 measurements were performed with activated full-length Akt1 as described under Biochemical assays. Briefly, IC50 values were determined for twelve different incubation times and afterwards plotted versus accordingly. Data was analyzed according to literature procedure as described in B. F. Krippendorff, R. Neuhaus, P. Lienau, A. Reichel, W. Huisinga, J. Biomol. Screen. 2009, 14, 913-923. Ki and kinact were calculated with XLfit (Version 5.4.0.8, IDBS, Munich, Germany) defining the substrate concentration as 250 nM and the corresponding substrate KM as 150 nM.Mass Spectrometry:Purified full-length wtAkt1 was thawed under cold water and diluted to a final concentration of 1 mg/mL in storage buffer (50 mM HEPES, 200 mM NaCl, 10% Glycerol, pH 7.4). 20 &#956;L of the respective mixture were mixed with 2 molar equivalents of the compounds of formulas (1a) and (2a), respectively (10 mM in DMSO); samples containing equal volumes of DMSO were individually prepared for control measurements. Following incubation for thirty minutes on ice, the samples were analyzed by ESI-MS using an Agilent 1100 Series HPLC System connected to a ThermoFinnigan LTQ Linear Ion Trap mass spectrometer. Therefore, 6 &#956;L of sample were injected and separated using a Vydac 214TP C4 5 u column (150 mm×2.1 mm) starting at 20% of solvent B for five minutes followed by a gradient up to 90% of solvent B over 14 min (flow rate 210 &#956;L/min) with 0.1% TFA in water as solvent A and 0.1% TFA in acetonitrile as solvent B. After washing the column for two minutes with 90% of solvent B, the concentration of solvent A was increased to 80% in 1 min and the column was washed for five additional minutes. During the complete experiment, a mass range of 700 to 2000 m/z was scanned and raw data was deconvoluted and analyzed with MagTran and mMass (Version 5.5.0) software.For ESI-MS/MS measurements, samples were denatured, separated via SDS-PAGE followed by staining with Coomassie Brilliant Blue and prepared according to standard tryptic in-gel digest protocols as described in A. Shevchenko, H. Tomas, J. Havlis, J. V. Olsen, M. Mann, Nat. Protoc. 2006, 1, 2856-2860. Subsequently, samples were thawed, dissolved in 20 &#956;L of 0.1% TFA in water, sonicated at room temperature for 15 min, and centrifuged at 15000×g for 1 min shortly before analysis. 3 &#956;L of sample were loaded onto a pre-column cartridge and desalted for 5 min using 0.1% TFA in water as eluent at a flow rate of 30 &#956;L/min. The samples were back-flushed from the pre-column to the nano-HPLC column during the whole analysis. Elution was performed using a gradient starting at 5% B with a final composition of 30% B after 35 min (flow rate 300 nL/min) using 0.1% formic acid in water as eluent A and 0.1% formic acid in acetonitrile as eluent B and a column temperature of 40° C. The nano-HPLC column was washed by increasing the percentage of solvent B to 60% in 5 min and to 95% in additional 5 min, washing the columns for further 5 min, flushing back to starting conditions and equilibration of the system for 14 min. During the complete gradient cycle, a typical TOP10 shot-gun proteomics method for the MS and MS/MS analysis was used.
8951	1	NIK Enzyme Inhibition Assay	The ability of the nuclear factor-kappa B (NF-kB)-inducing kinase (NIK) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) was monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified NIK (0.5 nM) derived from a baculovirus-infected insect cell expression system was incubated with test compounds for 1-3.5 hours in 50 mM 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid buffer (pH 7.2) containing 10 mM MgCl2, 2 mM dithiothreitol, 10 &#956;M ATP, 0.01% Triton X-100, 0.1% gamma-globulins from bovine blood, 1% dimethylsulfoxide (DMSO), 7 &#956;g/mL ADP antibody and 5 nM ADP-MR121 633 tracer. Reactions were quenched by the addition of 20 mM 2,2&#8242;,2&#8243;,2&#8242;&#8243;-(ethane-1,2-diyldinitrilo)tetraacetic acid and 0.01% Brij 35. The tracer bound to the antibody was displaced by the ADP generated during the NIK reaction, which causes a decrease in fluorescence polarization that was measured by laser excitation at 633 nm with a Fluorescence Correlation Spectroscopy Plus reader (Evotec AG). Equilibrium dissociation constant (Ki) values for NIK inhibitors are calculated from plots of activity vs. inhibitor concentration using Morrison&#39;s quadratic equation that accounts for the potential of tight binding, and by also applying the conversion factor that accounted for competitive inhibition and the concentration of substrate used in the assay relative to its Michaelis constant (Km).
8952	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
8953	1	CK2 Kinase Assay	The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in the art. For example, in vitro protein kinase assays may be conducted with a relevant purified protein kinase and an appropriate synthetic substrate to determine the inhibitory activity of the compounds. Assays for inhibition of CK2 by the instant compounds were performed in 384-well plates with reaction mixtures containing 10 &#956;M of peptide substrate (RRRADDSDDDDD-NH2), [&#947;-33P]ATP (10 &#956;Ci) at 25 &#956;M (CK2A1) or 5 &#956;M (CK2A2), 20 mM Hepes (pH 7.4), 100 mM NaCl, 10 mM MgCl2, 0.25 mM dithiothreitol, Brij-35 at 0.015%, and recombinant CK2A1 (10 nM, Invitrogen) or CK2A2 (5 nM, Upstate Biotechnology). Reaction mixtures were incubated at 30° C. for 1 hour, and reaction products were captured by binding to phosphocellulose (P81) filter plates. Incorporation of radioactive phosphate into the peptide substrate was determined by liquid scintillation counting. The potency of compounds in inhibiting CK2 is expressed as IC50, defined as the concentrations of compounds required to inhibit the enzymatic activity by 50%.The inhibitory activity of the instant compounds may also be measured by recombinant CK2 holoenzyme kinase assays. The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide FL-RRRADDSDDDDD-NH2 and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 100 mM NaCl, 0.015% Brij35 and 0.25 mM DTT). The reaction was initiated by the combination of bacterially expressed, CK2 &#945;/&#946; or CK2 &#945;&#8242;/&#946; holoenzyme with substrates and test compounds. The reaction was incubated at room temperature for 60 minutes and terminated by adding 30 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the CK2 &#945;/&#946; assay was 25 &#956;M ATP, 1.5 &#956;M FL-RRRADDSDDDDD-NH2, 50 pM CK2 &#945;/&#946; holoenzyme, and 1.6% DMSO. The final concentration of reagents in the CK2 &#945;&#8242;/&#946; assay was 10 &#956;M ATP, 1.5 &#956;M FL-RRRADDSDDDDD-NH2, 100 pM CK2 &#945;&#8242;/&#946; holoenzyme, and 1.6% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
8954	1	IPOne assay	IP1 accumulation measurements using the IPOne assay system 1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h before the assay in white 384-well plates in culture medium containing 10% FCS, 1% Na-Pyruvate and 400 &#956;g/mL G418. IP1 is assayed according to the manufacturer&#39;s description (Cisbio Bioassays, France). In brief, the assay is started by substitution of the culture medium by stimulation buffer (Hepes 10 mM, CaCl2) 1 mM, MgCl2 0.5 mM, KCl 4.2 mM, NaCl 146 mM, glucose 5.5 mM and LiCl 50 mM, pH 7.4). Cells are stimulated for 1 h at 37° C., 5% CO2 by addition of the compounds that are diluted in stimulation buffer containing LiCl. Assays are stopped by adding HTRF-conjugates (IP1-d2 and Anti-IP1 cryptate Tb) and lysis buffer, provided by the manufacturer. After an incubation time of 1 h at room temperature plates are measured using an EnVision , Perkin Elmer. The obtained fluorescence ratios at 665/615 nM are then used to calculate the pEC50 values using Assay Explorer 3.3 Software (Accelrys, Inc.) by interpolation using an IP1 reference curve and subsequent sigmoidal curve fitting allowing for a variable hill slope.
8955	1	Human Factor D Assay	Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. The increase in color is recorded at OD405 nm in a microplate in kinetic mode over 30 minutes with 30 second time points in a spectrofluorimeter. IC50 values are calculated by non-linear regression from the percentage of inhibition of complement factor D activity as a function of test compound concentration.
8956	1	MDM2-p53 Inhibition AlphaScreen	This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (PerkinElmer). A mix consisting of 20 nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated p53-peptide and GST-MDM2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. Furthermore, a positive control (5% DMSO instead of test compound; with protein/peptide mix) is pipetted. Determination of IC50 values are carried out using GraphPad Prism 3.03 software (or updates thereof).
8957	1	Raf IC50 Assay Protocol	Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-resolved fluorescence energy transfer assay. The assay was carried out in reactions (10 &#956;L) containing 0.0625 nM B-Raf or 0.5 nM C-Raf, 25 mM Tris pH 7.4, 10 mM MgCl2, 0.5 mM EGTA, 0.5 mM Na3BO4, 5 mM beta-glycerophosphate, 0.01%Triton X-100, 2.5 mM DTT, 0.1% BSA, 0.1 mM ATP, 13.7 nM GST-tagged MEK1 (Full-length protein with K97R mutation, recombinant protein purified from bacterial expression system) and 0-5 &#956;M compounds disclosed herein (final concentration of 1% DMSO). The enzyme was incubated with the compounds at room temperature for 60 minutes and the reactions were initiated by the addition of ATP and GST-MEK1. After incubating at room temperature for 60 minutes, an equal volume of stop buffer containing 25 mM Tris pH 7.4, 400 mM KF, 50 mM EDTA, 0.01% BSA, 0.01% Triton X-100, 1 test of Eu3+ Cryptate-conjugated rabbit polyclonal antibody anti-Phospho MEK1/2 (Ser217/221) and 1 test of d2-conjugated mouse monoclonal antibody anti-glutathione S-transferase was added to stop the reactions. Plates were sealed and incubated at room temperature for 2 hours, and then the TR-FRET signals were read on BMG PHERAstar FS instrument. The IC50 for each compound was calculated by non linear regression by Graphpad Prism software.
8958	1	Automated patch clamp (Tonic Block)	Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian CellsCell culture procedures: Chinese hamster ovary (CHO) cells were stably transfected with the cDNA sequence of either the human SCN2A or SCN8A genes to create hNav1.2 or hNav1.6 cells respectively. The cell lines were cultured in Ham&#39;s F-12 medium supplemented with 10% fetal bovine serum and antibiotics in a tissue incubator at 37° C. under a humidified air/CO2 mixture (95/5 v/v). On the day of the experiment, cells were washed twice with Hank&#39;s balanced salt solution, treated with trypsin, and resuspended in fresh culture media at a density of 4&#8722;6×106 cells in 20 ml. Immediately before placing in the IonWorks Quattro instrument, cells were washed in Hank&#39;s balanced salt solution to remove culture medium and re-suspended in 3 ml of Hank&#39;s balanced salt solution. Automated patch clamp recordings of cells using the IonWorks Quattro Instrument: The assay used a 384 microwell plate, which enabled 20 compounds to be studied at four different concentrations in quadruplicate as well as allowing a vehicle control group and a positive control group using mexiletine at 8 different concentrations. Cells were added to the wells of the Population Patch Clamp planar electrode using a 48-channel pipettor in a volume of 6 &#956;L, per well. After 5 minutes incubation at ambient temperature with compounds or vehicle, membrane currents were recorded using the patch clamp amplifier. Block of hNav1.2 or hNav1.6 channels was measured using a stimulus voltage pattern as shown in FIG. 1. The pulse pattern was repeated twice, before and after compound addition and peak current amplitudes were measured at TP1 to measure Tonic Block.Data analysis: Data acquisition and analyses were carried out using the IonWorks Quattro system operation software which uses an algorithm to correct data for leak currents. Concentration-response curves were fitted by non-linear least squares regression allowing calculation of an IC50 value (&#956;M), being the concentration of the compound producing half-maximal inhibition.
8958	2	Automated patch clamp (Tonic Block)	Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian CellsCell culture procedures: Chinese hamster ovary (CHO) cells were stably transfected with the cDNA sequence of either the human SCN2A or SCN8A genes to create hNav1.2 or hNav1.6 cells respectively. The cell lines were cultured in Ham&#39;s F-12 medium supplemented with 10% fetal bovine serum and antibiotics in a tissue incubator at 37° C. under a humidified air/CO2 mixture (95/5 v/v). On the day of the experiment, cells were washed twice with Hank&#39;s balanced salt solution, treated with trypsin, and resuspended in fresh culture media at a density of 4&#8722;6×106 cells in 20 ml. Immediately before placing in the IonWorks Quattro instrument, cells were washed in Hank&#39;s balanced salt solution to remove culture medium and re-suspended in 3 ml of Hank&#39;s balanced salt solution. Automated patch clamp recordings of cells using the IonWorks Quattro Instrument: The assay used a 384 microwell plate, which enabled 20 compounds to be studied at four different concentrations in quadruplicate as well as allowing a vehicle control group and a positive control group using mexiletine at 8 different concentrations. Cells were added to the wells of the Population Patch Clamp planar electrode using a 48-channel pipettor in a volume of 6 &#956;L, per well. After 5 minutes incubation at ambient temperature with compounds or vehicle, membrane currents were recorded using the patch clamp amplifier. Block of hNav1.2 or hNav1.6 channels was measured using a stimulus voltage pattern as shown in FIG. 1. The pulse pattern was repeated twice, before and after compound addition and peak current amplitudes were measured at TP11 to measure 10 Hz Frequency-dependent Block. Data analysis: Data acquisition and analyses were carried out using the IonWorks Quattro system operation software which uses an algorithm to correct data for leak currents. Concentration-response curves were fitted by non-linear least squares regression allowing calculation of an IC50 value (&#956;M), being the concentration of the compound producing half-maximal inhibition.
8958	3	Automated patch clamp (Inactivation State Block)	Test Protocol for Determining the Potency of Compounds on Nav1.2 and Nav1.6 Subtypes of Voltage-Gated Sodium Ion Channels Expressed in Mammalian CellsCell culture procedures: Chinese hamster ovary (CHO) cells were stably transfected with the cDNA sequence of either the human SCN2A or SCN8A genes to create hNav1.2 or hNav1.6 cells respectively. The cell lines were cultured in Ham&#39;s F-12 medium supplemented with 10% fetal bovine serum and antibiotics in a tissue incubator at 37° C. under a humidified air/CO2 mixture (95/5 v/v). On the day of the experiment, cells were washed twice with Hank&#39;s balanced salt solution, treated with trypsin, and resuspended in fresh culture media at a density of 4&#8722;6×106 cells in 20 ml. Immediately before placing in the IonWorks Quattro instrument, cells were washed in Hank&#39;s balanced salt solution to remove culture medium and re-suspended in 3 ml of Hank&#39;s balanced salt solution. Automated patch clamp recordings of cells using the IonWorks Quattro Instrument: The assay used a 384 microwell plate, which enabled 20 compounds to be studied at four different concentrations in quadruplicate as well as allowing a vehicle control group and a positive control group using mexiletine at 8 different concentrations. Cells were added to the wells of the Population Patch Clamp planar electrode using a 48-channel pipettor in a volume of 6 &#956;L, per well. After 5 minutes incubation at ambient temperature with compounds or vehicle, membrane currents were recorded using the patch clamp amplifier. Block of hNav1.2 or hNav1.6 channels was measured using a stimulus voltage pattern as shown in FIG. 1. The pulse pattern was repeated twice, before and after compound addition and peak current amplitudes were measured at TP12 to measure Inactivation State Block. Data analysis: Data acquisition and analyses were carried out using the IonWorks Quattro system operation software which uses an algorithm to correct data for leak currents. Concentration-response curves were fitted by non-linear least squares regression allowing calculation of an IC50 value (&#956;M), being the concentration of the compound producing half-maximal inhibition.
8959	1	Solid Phase Receptor Assay (SPRA) for alpha5beta1 Function	Purified human fibronectin (R&D Systems, 1918-FN) diluted to 2 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;5&#946;1 (R&D Systems, 3230-A5) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed fibronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;5 antibody (R&D Systems, BAF1864) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of room temperature TMB substrate (Sigma, T444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	2	Solid Phase Receptor Assay (SPRA) for alpha8beta1 Function	Recombinant mouse nephronectin protein (R&D Systems, Inc, 4298-NP) diluted to 1 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 al/well) of a 96-well half-well transparent microtiter plate (Greiner 675061), and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+. Recombinant human integrin &#945;8&#946;1 (R&D Systems, pre-launch) was diluted to 0.25 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed nephronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+. To each well, 50 &#956;L of biotinylated anti-&#946;1 antibody (R&D Systems, BAF1778) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	3	Solid Phase Receptor Assay (SPRA) for alphavbeta1 Function	Purified human fibronectin (R&D Systems, 1918-FN) diluted to 5 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;1 (R&D Systems. 6579-AV) was diluted to 2.0 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed fibronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 1 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma, T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	4	Solid Phase Receptor Assay (SPRA) for alphavbeta3 Function	Recombinant human vitronectin (R& D Systems, 2308-VN) diluted to 1 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;3 (R&D Systems, 3050-AV) was diluted to 1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed vitronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 &#956;g/mL in TBS+/0.1% BSA were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma, T4444) added to each well and the plate was incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	5	Solid Phase Receptor Assay (SPRA) for alphavbeta5 Function	Recombinant human vitronectin (R& D Systems, 2308-VN) at 0.25 &#956;g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;5 (R&D Systems, 2528-AV) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed vitronectin-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 &#956;g/mL in TBS+/0.1% BSA at 0.5 &#956;g/mL were added and the plate covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems m DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	6	Solid Phase Receptor Assay (SPRA) for alphavbeta6 Function	Recombinant human LAP (R&D Systems, 246-LP) diluted to 0.25 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061) and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+, and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C., and then washed 3× with TBS+ buffer. Recombinant human integrin &#945;v&#946;6 (R&D Systems, 3817-AV) was diluted to 0.1 g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and then 50 &#956;L added to empty wells of the washed LAP-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+ buffer. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 0.5 g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ buffer followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8959	7	Solid Phase Receptor Assay (SPRA) for alphavbeta8 Function	Recombinant human LAP protein (R&D Systems, Inc, 246-LP) diluted to 0.5 g/mL in TBS+ buffer (25 mM Tris pH 7.4, 137 mM NaCl, 2.7 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 1 mM MnCl2) was added to wells (50 &#956;L/well) of a 96-well half-well transparent microtiter plate (Greiner 675061), and incubated overnight at 4° C. Wells were washed 3 times with 150 &#956;L TBS+ and 150 &#956;L of blocking buffer (TBS+ with 1% bovine serum albumin, Sigma A7906) were added. The plate was incubated for 1 hr at 37° C. and then washed 3× with TBS+. Recombinant human integrin &#945;v&#946;8 (R&D Systems, 4135-AV) was diluted to 0.1 &#956;g/mL in TBS+/0.1% bovine serum albumin. Compounds were diluted 1:100 into the integrin solution and 50 &#956;L added to empty wells of the washed LAP-coated plate according to a standard template with each sample repeated in triplicate. After incubation for two hours at room temperature, the plate was washed 3× with 150 &#956;L of TBS+. To each well, 50 &#956;L of biotinylated anti-&#945;v antibody (R&D Systems, BAF1219) at 1 &#956;g/mL in TBS+/0.1% BSA were added and the plate was covered and incubated for 1 hr at room temperature. After washing the plate 3× with 150 &#956;L of TBS+ buffer, 50 &#956;L of streptavidin-conjugated horseradish peroxidase (R&D Systems, DY998) diluted in TBS+ blocking buffer were added to the wells and the plate incubated for 20 min at room temperature. The plate was washed 3× with TBS+ followed by 50 &#956;L of TMB substrate (Sigma T4444) added to each well and the plate incubated for 20 min at room temperature. Plates were read by colorimetric detection at 650 nm wavelength using a Tecan Safire II plate reader. Concentration-response curves were constructed by non-linear regression (best fit) analysis, and IC50 values were calculated for each compound.
8960	1	Camp Assay 	The activation of the SSTR4 receptor (Gi coupled) causes an inhibition of intracellular cAMP after stimulation with Forskolin, which can be quantifiable by use of a suitable assay Kit and an adequate plate reader. This technique is used to characterize pharmacological effects of the SSTR4 receptor agonists by use of hSSTR4 expressing H4 cells.DescriptionCompounds are dissolved and diluted in DMSO. The final test solution contains 1% DMSO. The cAMP standard (Lance cAMP 384 Kit; PerkinElmer, Cat# AD0264) is prepared in assay buffer (HBSS with 0.1% BSA, 5 mM HEPES, 0.5 M IBMX, pH 7.4) containing 1% DMSO and the cAMP standard curve is included at least on one plate. Cells are centrifuged and suspended in assay buffer (incl. 1:100 diluted Alexa antibody).For the assay 5 &#956;l of a cell suspension (approximately 5000 cells/well) incl. Alexa antibody (diluted 1:100) are added into a 384 well MTP microtitre plate excepting one row or column (depending on the plate layout), which is reserved for the standard curve. Then 2 &#956;l of compound sample is added as concentration response curve (e.g. 1e-5 M to 6e-10 M), usually in triplicates. Each assay contains incubations with vehicle controls instead of compound as controls for non-inhibited cAMP generation (100% CTL; high values ) and incubations with 1 &#956;M Somatosatin as controls for full inhibition and background (0% CTL; low values ). After approximately 10-15 min incubation time 3 &#956;l Forskolin (dissolved in DMSO, final conc. 15 &#956;M) is added. Then the plates are shaken briefly and incubated for 60 min at room temperature. After 60 min 10 &#956;l of the detection mix is added into all wells followed by an additional incubation period of 1 h. The plates are read in a suitable plate reader.The analysis of the data is based on the ratio of the time-resolved fluorescence measurements of donor and acceptor fluorophore (Ex: 320 nm; Em1: 665 nm; Em2: 615 nm; ratio 665/615). From this ratio, cAMP concentrations are calculated from standard curve and the EC50 is estimated by least square curve fit program.
8960	2	Radioligand Binding Assays	Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments test compounds, which are not labeled, compete with the binding side of a labeled ligand. The displacement of the labeled ligand by the test compound leads to a decreased signal.Procedure:For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.The analysis of the concentration-binding curves is performed by computer-assisted nonlinear least square curve fitting method using the model of one receptor binding site.
8961	1	High Throughput EGFR Biochemical Assay	EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-catalyzes the phosphorylation of a universal Tyrosine kinase peptide substrate labeled with XL665. Europium conjugated phosphor-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor. The assay was performed in two main steps. The first step is the kinase reaction step and the second step is the detection step with TR-FRET reagents. In brief, test compounds 1:3 serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). EGFR enzyme (Human EGFR, cytoplasmic domain [669-1210] from Carna Biosciences Cat. No. 08-115) and substrates TK substrate-biotin (included in Cisbio HTRF KinEASE-TK kit Cat. No. 62TK0PEJ) were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 10 &#956;L reaction mixture contained 6 &#956;M ATP (1×Km) or 12 &#956;M ATP (2×Km), 1 &#956;M biotinylated peptide, 0.3 nM EGFR (for 1×Km ATP) or 0.1 nM EGFR (for 2×Km ATP) in reaction buffer (10 mM MOPS, pH 7.0, 1.5% Glycerol, 0.5 mg/ml BSA, 10 mM Mg-Acetate, 1 mM DTT, 0.025% NP-40). After 60 min of incubation at room temperature, 10 &#956;L of Stop and Detect Solution (1:400 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for over 60 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percent inhibition was calculated as follows:% Inhibition=100×(RatioSample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition)where 0.05% DMSO (0% inhibition) was the negative control and 100 &#956;M Staurosporine and Gefitinib (100% inhibition) was used as the positive control. 
8962	1	Inhibition of HIV Replication	A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. This virus is fully infectious and can undergo multiple cycles of replication in cell culture. In addition, the luciferous reporter provides a simple and easy method for quantitating the extent of virus growth and consequently, the antiviral activity of test compounds. The plasmid pNLRLuc contains the proviral NL-Rluc DNA cloned into pUC 18 at the PvuII site. The NL-RLuc virus was prepared by transfection of 293T cells with the plasmid pNLRLuc. Transfections were performed using the LipofectAMINE PLUS kit from Invitrogen (Carlsbad, Calif.) according to the manufacturer and the virus generated was titered in MT-2 cells. For susceptibility analyses, the titrated virus was used to infect MT-2 cells in the presence of compound, and after 5 days of incubation, cells were processed and quantitated for virus growth by the amount of expressed luciferase. Assay media was RPMI 1640 supplemented with 10% heat inactivated fetal bovine serum (FBS), 100 units/ml penicillin G/100 units/ml streptomycin, 10 mM HEPES buffer pH 7.55 and 2 mM L-glutamine. The results from at least 2 experiments were used to calculate the EC50 values. Luciferase was quantitated using the Dual Luciferase kit from Promega (Madison, Wis.). Susceptibility of viruses to compounds was determined by incubation in the presence of serial dilutions of the compound. The 50% effective concentration (EC50) was calculated by using the exponential form of the median effect equation where (Fa)=1/[1+(ED50/drug conc.)m] (Johnson V A, Byington R T. Infectivity Assay. In Techniques in HIV Research. ed. Aldovini A, Walker B D. 71-76. New York: Stockton Press. 1990).
8963	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at r.t. to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at r.t. for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at r.t. 3 &#956;l of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at r.t. for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
8964	1	Human mu-Opioid Receptor Radioligand Assay	To investigate binding properties of test compounds to human &#956;-opioid receptor, transfected CHO-K1 cell membranes and [3H]-DAMGO (Perkin Elmer, ES-542-C), as the radioligand, were used. The assay was carried out with 20 &#956;g of membrane suspension, 1 nM of [3H]-DAMGO in either absence or presence of either buffer or 10 &#956;M Naloxone for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM, MgCl2 5 mM at pH 7.4. Plates were incubated at 27° C. for 60 minutes. After the incubation period, the reaction mix was then transferred to MultiScreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH 7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail.
8964	2	Human alpha2delta-1 Subunit of Cav2.2 Calcium Channel Assay	Human &#945;2&#948;-1 enriched membranes (2.5 &#956;g) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH 10 mM, pH 7.4. NSB (non specific binding) was measured by adding 10 &#956;M pregabalin. After 60 min incubation at 27° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, pH 7.4. Filter plates were dried at 60° C. for 1 hour and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading. Readings were performed in a Trilux 1450 Microbeta radioactive counter (Perkin Elmer).
8965	1	[3H]-Spiperone Binding Assay at hD3	[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3 or CHO-hD4, respectively), were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.3 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (4 &#956;g and 12 &#956;g of protein for CHO-hD3- and CHO-hD4 membranes, respectively) and lasted for 90 or 100 min (for hD3 or hD4 membranes, respectively) at 23° C. in a final volume of 500 &#956;l. Non specific binding (NSB) was determined in the presence of 1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.015 to 4.0 nM. Ref: Mackenzie R. G. et al. (1994). Characterization of the human dopamine D3 receptor expressed in transfected cell lines. Eur. J. Pharmacol., 266:79-8.
8965	2	Functional Calcium Assay at hD2 Recombinant Receptor	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were seeded into black walled clear-base 384-well plates at a density of 8,000 cells per well and grown overnight at 37° C. After washing with the assay buffer (20 mM HEPES, 145 mM NaCl, 5 mM KCl, 5.5 mM glucose, 1 mM MgCl2 and 2 mM CaCl2, pH 7.4) containing 2.5 mM Probenecid, cells were incubated with the cytoplasmic Ca2+ probe Fluo-4 AM at 1 &#956;M (final concentration), 37° C. for 60 min. Plates were washed three times as above and placed into a Fluorometric Imaging Plate Reader (FLIPR Tetra, Molecular Devices) to monitor cell fluorescence (ex=470-495 nm, em=515-575 nm) before and after the addition of different concentrations of test compounds. Compounds of invention were dissolved in DMSO and 200-fold diluted with assay buffer plus 0.01% Pluronic F-127. Cells were exposed first to test compounds for 10 min, then to a submaximal concentration of the hD2 receptor agonist dopamine (EC80, 50-140 nM). The fluorescence before compound addition (baseline) and before and after addition of agonist challenge was monitored. The peak of Ca2+ stimulation (baseline subtracted) was plotted versus the concentration of test compound and the curve fitted using a four-parameter logistic equation (XLfit) to assess the agonist/antagonist potency and maximal response.
8965	3	[3H]-Spiperone Binding Assay at hD2 Recombinant Receptor	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.08 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (2 &#956;g of protein for CHO-hD2 membranes) and lasted for 120 min at 23° C. in a final volume of 1000 &#956;l. Non specific binding (NSB) was determined in the presence of 0.1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 &#956;l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software) or XLfit Version 5.2.0.0 (Copyright 2006-2009 ID Business Solutions Ltd). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.011 to 3.0 nM. Ref: Durcan M. J. et al. (1995). Is Clozapine selective for the dopamine D4 receptor? Life Sciences, 57: 275-283. Petrus J. et al. (2001). Real-time analysis of dopamine: antagonist interactions at recombinant human D2long receptor upon modulation of its activation state. Brit. J. Pharmacol. 134, 88±97.
8966	1	SMYD3 Biochemical Assay	The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a 384-well white opaque OptiPlate using a Bravo automated liquid handling platform outfitted with a 384-channel head (Agilent Technologies). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD3, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD3 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD3 for 30 min at room temperature, then a cocktail (10 ul) containing SAM and MEKK2 was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD3 was 0.4 nM, 3H-SAM was 8 nM, MEKK2 was 12 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 100 uM, which dilutes the 3H-SAM to a level where its incorporation into MEKK2 is no longer detectable. Radiolabeled MEKK2 was detected using a scintillation proximity assay (SPA). 10 uL of a 10 mg/mL solution of SPA beads in 0.5 M citric acid was added and the plates centrifuged at 600 rpm for 1 min to precipitate the radiolabeled MEKK2 onto the SPA beads. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled MEKK2 as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).% Inhibition Calculation% &#8290; &#8290; inh = 100 - ( dpm cmpd - dpm min dpm max - dpm min ) × 100Where dpm=disintegrations per minute, cmpd=signal in assay well, and min and max are the respective minimum and maximum signal controls.Four-Parameter IC50 FitY = Bottom + ( Top - Bottom ) ( 1 + ( X IC 50 ) Hill &#8290; &#8290; CoefficientWhere top and bottom are the normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and X is the compound concentration.
8967	1	Biochemical Assay	The biochemical assay is in a AlphaScreen format. The kinase reaction is based on the IRAK-4 phosphorylation of a biotin labeled peptide. The phosphopeptide is incubated with anti-phosphothreonine antibody as well as streptavidin- and protein A-coated beads. Binding of the protein-A coated beads to the antibody and the streptavidin beads to the peptide, leads to an energy transfer from one bead to the other, ultimately producing a luminescent/fluorescent signal.Generally, the kinase reaction is carried out at 1 nM IRAK4, 1.6 &#956;M peptide, 1 mM ATP in reaction buffer 50 mM Hepes, 60 mM NaCl, 5 mM MgCl2, 0.25 mM MnCl2, 2 mM DTT, 0.01% BSA, 0.01% Tween-20) for 3.5 h at RT.
8968	1	SHP2 Phosphatase Assay	IC50 values were determined at room temperature in 384-well black polystyrene plate, using a final reaction volume of 15 &#956;l and the following assay buffer conditions: 60 mM Hepes (pH=7.2), 75 mM NaCl, 75 mM KCl, and 1 mM EDTA, 0.05% P-20, 5 mM dithiothreitol (DTT). Full length SHP2 enzyme (diluted to 0.1 nM in reaction buffer) were co-incubated with 1 uM IRS-1 peptide and 0.01 nM to 10 &#956;M compounds of the disclosure for 60 min. The surrogate substrate DiFMUP (5 &#956;L, 100 LIM) was added, and incubated at rt for 60 min. The reaction was then quenched by the addition of 5 &#956;L of a 40 &#956;M solution of bpV(Phen). The fluorescence signal was monitored using a microplate reader (Envision, Perkin-Elmer) using excitation and emission wavelengths of 360 nm and 450 nm, respectively. The inhibitor dose-response curves were analyzed using normalized IC50 regression curve fitting with control-based normalization.
8969	1	Enzyme Assay	Assay: The following phosphodiesterase enzymes may be used: 3&#8242;,5&#8242;-cyclic-nucleotide-specific bovine brain phosphodiesterase (Sigma, St. Louis, Mo.) (predominantly PDE1B) and recombinant full length human PDE1A and PDE1B (r-hPDE1A and r-hPDE1B respectively) which may be produced e.g., in HEK or SF9 cells by one skilled in the art. The PDE1 enzyme is reconstituted with 50% glycerol to 2.5 U/ml. One unit of enzyme will hydrolyze 1.0 &#956;mole of 3&#8242;,5&#8242;-cAMP to 5&#8242;-AMP per min at pH 7.5 at 30° C. One part enzyme is added to 1999 parts reaction buffer (30 &#956;M CaCl2, 10 U/ml of calmodulin (Sigma P2277), 10 mM Tris-HCl pH 7.2, 10 mM MgCl2, 0.1% BSA, 0.05% NaN3) to yield a final concentration of 1.25 mU/ml. 99 &#956;l of diluted enzyme solution is added into each well in a flat bottom 96-well polystyrene plate to which 1 &#956;l of test compound dissolved in 100% DMSO is added. The compounds are mixed and pre-incubated with the enzyme for 10 min at room temperature.
8970	1	Enzymatic Activity Assay	A testing platform for kinase activity of JAK2 (wild type and V617F mutant type) was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to three-fold gradient dilutions with 100% DMSO with a starting concentration of 1 mM (11 dilutions in total). 4 &#956;L of each dilution was added to 96 &#956;L of reaction buffer (50 mM HEPES, pH 7.4, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 0.005% BAS, 2 mM DTT) and mixed homogeneously. 2.5 &#956;L of the resulting liquid was then added to a 384-well plate (OptiPlate-384, available from PerkinElmer), and then 5 &#956;L of JAK2 kinase (available from Carna) was added. The mixture was mixed homogeneously by centrifugation. Then 2.5 &#956;L of a mixture of ATP (the final concentration is the corresponding Km value) and TK peptide (HTRF KinEASE-TK, available from Cisbio) was added to initiate the reaction (the total reaction volumn is 10 &#956;L). The 384-well plate was placed in an incubator and the reaction was allowed to conduct for 120 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labled anti-phosphotyrosine antibody (available from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE-TK, available from Cisbio). The plate was incubated in the incubator for 1 hr, and then the fluorescence values were read on Envision (available from PerkinElmer). The excitation wavelength was 320 nm, and the emission wavelengths for detecton were 665 nm and 620 nm. The enzymatic activity was representd by a ratio of the two readout at the two emission wavelengths. 
8971	1	Competition Binding Assay	This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Technologies) cells were stably expressed with human GPR139 receptor, whose expression is controlled by a tetracycline inducible element. The cells were cultured in medium containing F12K, 10% Tetracycline free FBS, 1% Penn/Strep, 200 &#956;g/mL Hygromycin. GPR139 receptor expression was induced for 18 hrs with 1 &#956;g/mL doxycycline (Sigma D9891) in growth media. After addition of doxycycline, cells were harvested in PBS and pelleted by centrifugation for 5 minutes at 200×G. Liquid was aspirated off and cells were resuspended in ice cold Lysis buffer (20 mM HEPES/5 mM EDTA pH 7.4/1× Roche protease inhibitor). Samples were vortexed until homogenous and then placed on ice and homogenized using Dounce homogenizer on 50% power 3 separate times for 10 strokes each time. Lysate was centrifuged at 4° C. for 10 minutes in a tabletop Sorvall at 2000×G and supernatant was recovered and centrifuged in a Sorvall Ultracentrifuge at 35,000 rpm for 30 minutes at 4° C. The supernatant was discarded and the remaining pellet resuspended in Lysis buffer (20 mM HEPES/0.1 mM EGTA/Roche protease inhibitor). Membrane protein concentration was determined using ThermoFisher BCA quantification kit and aliquoted into microtubes. Tubes were snap frozen in LN2 and stored at &#8722;80° C.
8972	1	Activity Assay	In an effort to biochemically and structurally characterize human HYPDH, we have evaluated numerous expression constructs (>15) in Escherichia coli with N- and C-terminal truncations. These constructs exhibit different levels of protein production, solubility (i.e., inclusion body formation), FAD+ cofactor loading, and enzymatic activity. Only the constructs containing the residues 147-515 and 156-515 were >96% loaded with FAD+ and active.
8973	1	Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2 nM kallikrein was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader.
8974	1	Receptor Binding Assay	5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carried out in duplicates. 50 &#956;L working solution of the tested compounds, 50 &#956;L [3H]-8-OH-DPAT (final concentration 1 nM, Kd 0.8 nM) and 150 &#956;L diluted membranes (10 &#956;g protein per well) prepared in assay buffer (50 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 0.1 mM EDTA, 0.1% ascorbic acid) were transferred to polypropylene 96-well microplate using 96-wells pipetting station Rainin Liquidator (MettlerToledo). Serotonin (10 &#956;M) was used to define nonspecific binding. Microplate was covered with a sealing tape, mixed and incubated for 60 minutes at 27° C. The reaction was terminated by rapid filtration through GF/C filter mate presoaked with 0.3% polyethyleneimine for 30 minutes. Ten rapid washes with 200 &#956;L 50 mM Tris-HCl buffer (4° C., pH 7.4) were performed using automated harvester system Harvester-96 MACH III FM (Tomtec). The filter mates were dried at 37° C. in forced air fan incubator and then solid scintillator MeltiLex was melted on filter mates at 90° C. for 5 minutes. Radioactivity was counted in MicroBeta2 scintillation counter (PerkinElmer) at approximately 30% efficiency. Data were fitted to a one-site curve-fitting equation with Prism 6 (GraphPad Software) and Ki values were estimated from the Cheng-Prusoff equation.
8974	2	Radioligand Binding Assay	Alpha1-adrenergic Receptor: Radioligand binding was performed using tissue (rat cortex). All assays were carried out in duplicates. 50 &#956;L working solution of the tested compounds, 50 &#956;L [3H]-prazosin (final concentration 0.2 nM, Kd 0.2 nM) and 150 &#956;L tissue suspension prepared in assay buffer (50 mM Tris-HCl, pH 7.6) were transferred to polypropylene 96well microplate using 96wells pipetting station Rainin Liquidator (MettlerToledo). Phentolamine (10 &#956;M) was used to define nonspecific binding. Microplate was covered with a sealing tape, mixed and incubated for 30 minutes at 30° C. The reaction was terminated by rapid filtration through GF/B filter mate. Ten rapid washes with 200 &#956;L 50 mM Tris-HCl buffer (4° C., pH 7.6) were performed using automated harvester system Harvester-96 MACH III FM (Tomtec). The filter mates were dried at 37° C. in forced air fan incubator and soaked in 10 mL of liquid scintillation cocktail Ultima Gold MV (PerkinElmer, USA). After even distribution of scintillation cocktail filter bag was sealed. Radioactivity was counted in MicroBeta2 scintillation counter (PerkinElmer) at approximately 30% efficiency. Data were fitted to a one-site curve-fitting equation with Prism 6 (Graph Pad Software) and Ki values were estimated from the Cheng-Prusoff equation.
8974	3	Radioligand Binding Assay	D2 Dopamine Receptor:Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human D2 receptor. All assays were carried out in duplicates. 50 &#956;L working solution of the tested compounds, 50 &#956;L [3H]-methylspiperon (final concentration 0.4 nM, Kd 0.4 nM) and 150 &#956;L diluted membranes (10 &#956;g protein per well) prepared in assay buffer (50 mM HEPES, pH 7.4, 50 mM NaCl, 5 mM MgCl2, 0.5 mM EDTA) were transferred to polypropylene 96well microplate using 96wells pipetting station Rainin Liquidator (MettlerToledo). (+)-butaclamol (10 &#956;M) was used to define nonspecific binding. Microplate was covered with a sealing tape, mixed and incubated for 60 minutes at 37° C. The reaction was terminated by rapid filtration through GF/C filter mate presoaked with 0.3% polyethyleneimine for 30 minutes. Ten rapid washes with 200 &#956;L 50 mM Tris buffer (4° C., pH 7.4) were performed using automated harvester system Harvester-96 MACH III FM (Tomtec). The filter mates were dried at 37° C. in forced air fan incubator and then solid scintillator MeltiLex was melted on filter mates at 90° C. for 5 minutes. Radioactivity was counted in MicroBeta2 scintillation counter (PerkinElmer) at approximately 30% efficiency. Data were fitted to a one-site curve-fitting equation with Prism 6 (GraphPad Software) and Ki values were estimated from the Cheng-Prusoff equation.
8975	1	Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS. Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMV-EGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1&#945; peptide corresponding to residues 556-574 is used as substrate. The reaction is conducted in a total volume of 50 &#956;L containing TrisCl (5 mM, pH 7.5), ascorbate (120 &#956;M), 2-oxoglutarate (3.2 &#956;M), HIF-1&#945; (8.6 &#956;M), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 &#956;L of reaction mixture to 50 &#956;L of a mass spectrometry matrix solution (&#945;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 Hz repetition rate). Hydroxylated peptide product is identified from substrate by the gain of 16 Da. Data defined as percent conversion of substrate to product is analyzed in GraphPad Prism 4 to calculate IC50 values.
8975	2	ELISA Assay	VEGF: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 &#956;L of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.). Data defined as % of DFO stimulation is used to calculate EC50 values with GraphPad Prism 4 software (San Diego, Calif.).
8976	1	Human TLR7 Assay	Recombinant human TLR7 was stably expressed in a HEK293 cell line already stably expressing the pNiFty2-SEAP reporter plasmid; integration of the reporter gene was maintained by selection with the antibiotic zeocin. The most common variant sequence of human TLR7 (represented by the EMBL sequence AF240467) was cloned into the mammalian cell expression vector pUNO and transfected into this reporter cell-line. Transfectants with stable expression were selected using the antibiotic blasticidin. In this reporter cell-line, expression of secreted alkaline phosphatase (SEAP) is controlled by an NFkB/ELAM-1 composite promoter comprising five NFkB sites combined with the proximal ELAM-1 promoter. TLR signaling leads to the translocation of NFkB and activation of the promoter results in expression of the SEAP gene. TLR7-specific activation was assessed by determining the level of SEAP produced following overnight incubation of the cells at 37° C. with the standard compound in the presence of 0.1% (v/v) dimethylsulfoxide (DMSO). Concentration dependent induction of SEAP production by compounds was expressed as the concentration of compound which produced half of the maximal level of SEAP induction for that compound (EC50).
8976	2	Human TLR8 Assay	TLR8/NF-kB/SEAPorter HEK 293 Cell Line (Imgenex Corporation) is a stably co-transfected cell line which expresses full-length human TLR8 and the secreted alkaline phosphatase (SEAP) reporter gene under the transcriptional control of an NF-&#954;B response element. TLR8 expression in this cell line has been tested by flow cytometry. Transfectants with stable expression were selected using the antibiotic blasticidin and geneticin. TLR signaling leads to the translocation of NF-&#954;B and activation of the promoter results in expression of the SEAP gene. TLR8-specific activation was assessed by determining the level of SEAP produced following overnight incubation of the cells at 37° C. with the standard compound in the presence of 0.1% (v/v) dimethylsulfoxide (DMSO). Concentration dependent induction of SEAP production by compounds was expressed as the concentration of compound which produced half of the maximal level of SEAP induction for that compound (EC50).
8976	3	hERG Analysis-Method 1	Cell CultureThe hERG-expressing Chinese hamster ovary K1 (CHO) cells described by (Persson, Carlsson, Duker, & Jacobson, 2005) were grown to semi-confluence at 37° C. in a humidified environment (5% CO2) in F-12 Ham medium containing L-glutamine, 10% foetal calf serum (FCS) and 0.6 mg/mL hygromycin (all available from Sigma-Aldrich). Prior to use, the monolayer was washed using a pre-warmed (37° C.) 3 mL aliquot of Versene 1:5,000 (Invitrogen) After aspiration of this solution the flask was incubated at 37° C. in an incubator with a further 2 mL of Versene 1:5,000 for a period of 6 minutes. Cells were then detached from the bottom of the flask by gentle tapping and 10 mL of Dulbecco&#39;s Phosphate-Buffered Saline containing calcium (0.9 mM) and magnesium (0.5 mM) (PBS; Invitrogen) was then added to the flask and aspirated into a 15 mL centrifuge tube prior to centrifugation (50 g, for 4 mins). The resulting supernatant was discarded and the pellet gently re-suspended in 3 mL of PBS. A 0.5 mL aliquot of cell suspension was removed and the number of viable cells (based on trypan blue exclusion) was determined in an automated reader (Cedex; Innovatis) so that the cell re-suspension volume can be adjusted with PBS to give the desired final cell concentration. It is the cell concentration at this point in the assay that is quoted when referring to this parameter. CHO-Kv1.5 cells, which were used to adjust the voltage offset on IONWORKS HT, were maintained and prepared for use in the same way.ElectrophysiologyThe principles and operation of this device have been described by (Schroeder, Neagle, Trezise, & Worley, 2003). Briefly, the technology is based on a 384-well plate (PATCHPLATE) in which a recording was attempted in each well by using suction to position and hold a cell on a small hole separating two isolated fluid chambers. Once sealing had taken place, the solution on the underside of the PATCHPLATE was changed to one containing amphotericin B. This permeablises the patch of cell membrane covering the hole in each well and, in effect, allowed a perforated, whole-cell patch clamp recording to be made.A &#946;-test IONWORKS HT from Essen Instrument was used. There is no capability to warm solutions in this device hence it is operated at r.t. (21° C.), as follows. The reservoir in the Buffer position was loaded with 4 mL of PBS and that in the Cells position with the CHO-hERG cell suspension described above. A 96-well plate (V-bottom, Greiner Bio-one) containing the compounds to be tested (at 3-fold above their final test concentration) was placed in the Plate 1 position and a PATCHPLATE was clamped into the PATCHPLATE station. Each compound plate was laid-out in 12 columns to enable ten, 8-point concentration-effect curves to be constructed; the remaining two columns on the plate were taken up with vehicle (final concentration 0.33% DMSO), to define the assay baseline, and a supra-maximal blocking concentration of cisapride (final concentration 10 &#956;M) to define the 100% inhibition level. The fluidics-head (F-Head) of IONWORKS HT then added 3.5 &#956;L of PBS to each well of the PATCHPLATE and its underside was perfused with internal solution that had the following composition (in mM): K-Gluconate (100 parts), KCl (40 parts), MgCl2 (3.2 parts), EGTA (3 parts) and HEPES (5 parts, pH 7.25-7.30 using 10M KOH) After priming and de-bubbling, the electronics-head (E-head) then moved around the PATCHPLATE performing a hole test (i.e. applying a voltage pulse to determine whether the hole in each well is open). The F-head then dispensed 3.5 &#956;L of the cell suspension described above into each well of the PATCHPLATE and the cells were given 200 seconds to reach and seal to the hole in each well. Following this, the E-head moved around the PATCHPLATE to determine the seal resistance obtained in each well.
8976	4	hERG Analysis-Method 2	The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an automated planar patch-clamp system QPATCH HT (Sophion Bioscience A/S). The application of pressure for forming gigaseals and whole-cell patch clamp configuration were established using the QPATCH assay software. Patch-clamp experiments were performed in voltage-clamp mode and whole-cell currents were recorded from individual cells. The following stimulation protocol was applied to investigate the effects of compounds on hERG potassium channel. The membrane potential was held at &#8722;80 mV and repetitively (every 15 s) depolarized to +20 mV for 5 s after the pulse to &#8722;50 mV for 20 ms served to define the baseline, followed by repolarizing step to &#8722;50 mV for 5 s to evaluate of the tail current amplitude. Experiments were conducted at room temperature (22±2° C.).Effects of compounds were determined from cumulative applications of increasing 4 concentrations and calculated as percent of blocked current. The data points were fitted with Hill equation to calculate half-maximal inhibition concentrations. The test solution includes:Extracellular solution (mM): 2 mM of CaCl2, 1 mM of MgCl2, 10 mM of HEPES, 4 mM of KCl, 145 mM of NaCl, and 10 mM of Glucose; andIntracellular solution (mM): 5.4 mM of CaCl2, 1.8 mM of MgCl2, 10 mM of HEPES, 31 mM of KOH, 10 mM of EGTA, 120 mM of KCl, and 4 mM of ATP.
8977	1	Functional Uptake Assay (hSERT)	Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 cells expressing human serotonin transporter were plated before the assay. Test compound and/or vehicle was preincubated with cells in modified HEPES buffer pH 7.1 or pH 7.4 for 20 minutes at 18 to 25&deg; C. and 65 nM [3H]serotonin was then added for an additional timed incubation period (ten to thirty minutes). Cells with internalized [3H]serotonin were washed and the amount of tritium taken into cells is counted using a liquid scintillation counter to determine [3H]serotonin uptake. Non-specific binding of tritium was measured in a control reaction containing 10 uM fluoxetine, and was subtracted from the counts for assays to correct for non-specific binding of tritium. Reduction of [3H]serotonin uptake by 50 percent or more (50%) relative to an uninhibited control reaction indicates significant inhibitory activity. Compounds were screened at 10, 1, 0.1, 0.01 and 0.001 uM. The reference compound for the assay was fluoxetine, for which the IC50 value of 7.1 nM was obtained in a typical experiment.
8977	2	Functional Uptake Assay (hNET)	Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293 or MDCK cells using a published method (Galli A et al., J. Exp. Biol. 198: 2197-2212, 1995). The cells were plated before the assay. Test compound and/or vehicle was preincubated with cells in modified HEPES buffer pH 7.1 or pH 7.4 for 20 minutes at 18 to 25&deg; C. Following the preincubation, 25 nM [3H]norepinephrine was added for an additional timed incubation period (10 to 20 minutes). After the cells were washed to remove [3H]norepinephrine not internalized, the cells were lysed, and the amount of tritium in the cell lysate was measured using a liquid scintillation counter to determine [3H]norepinephrine uptake. Non-specific binding of tritium was measured in a control reaction containing 10 uM imipramine (or 10 uM nisoxetine), and was subtracted from the counts for assays to correct for non-specific binding of tritium.
8977	3	Functional Uptake Assay  (hDAT)	Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 cells using a published method (Pristupa, Z. B. et al., Mol. Pharmacol. 45: 125-135, 1994). Either CHO-K1 or HEK293 cells expressing human recombinant dopamine transporter were plated before the assay. Test compound and/or vehicle was preincubated with cells in modified HEPES buffer pH 7.1 or pH 7.4 for 20 minutes at 18 to 25&deg; C. and 50 nM [3H]dopamine was then added for an additional timed incubation period (10 to 30 minutes). After washing the cells to remove [3H]dopamine not internalized, the cells were lysed, and the amount of tritium in the lysate was measured using a liquid scintillation counter to determine [3H]dopamine uptake. Non-specific binding of tritium was measured in a control reaction containing 10 uM nomifensine, and was subtracted from the counts for assays to correct for non-specific binding of tritium. Reduction of [3H]dopamine uptake by 50 percent or more (50%) relative to an uninhibited control reaction indicates significant inhibitory activity. Compounds were screened at 10, 1, 0.1, 0.01 and 0.001 uM. The reference compound for the assay was nomifensine, for which the IC50 value of 11 nM was obtained in a typical experiment.
8977	4	Functional Uptake Assay (rSERT)	Quantification of 5-HT uptake was performed using synaptosomes isolated in a 0.32M sucrose buffer from a male Wistar rat cortex. The uptake of radiolabelled 5-HT by synaptosomes (100 ug of proteins/point) was allowed by incubating them in a well for 15 min at 37&deg; C. in presence of test compounds and [3H]5-hydroxytryptamine (serotonin; 0.1 uCi/point). Synaptosomes and [3H]serotonin were prepared in a Krebs buffer pH 7.4 containing 25 mM NaHCO3, 11 mM glucose and 50 uM ascorbic acid. This incubation buffer was oxygenated during 5 minutes before incubation. Basal control was incubated for 15 minutes at 4&deg; C. in order to avoid any uptake. Following this incubation the uptake was stopped by filtration through a unifilter 96-wells GFB Packard plate washed with Krebs buffer containing 25 mM NaHCO3 in order to eliminate the free [3H]serotonin. The radioactivity associated to the synaptosomes retained on the unifilter corresponding to the uptake was then measured with a microplate scintillation counter (Topcount, Packard) using a scintillation fluid.
8977	5	Functional Uptake Assay (rNET)	Quantification of norepinephrine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat hypothalamus. The uptake of radiolabelled norepinephrine by synaptosomes (100 ug of proteins/point) was allowed by incubating them for 20 minutes at 37&deg; C. in presence of test compounds and [3H]-norepinephrine (0.1 uCi/point). The experiment was performed in a deep well. Synaptosomes and [3H]-norepinephrine were prepared in a Krebs buffer pH 7.4 containing 25 mM NaHCO3, 11 mM glucose and 50 uM ascorbic acid. This incubation buffer was oxygenated for 5 minutes before incubation. Basal control was incubated for 20 minutes at 4&deg; C. in order to avoid any uptake. Following this incubation, the uptake was stopped by filtration through a unifilter 96-wells GFB Packard plate washed with Krebs buffer containing 25 mM NaHCO3 in order to eliminate the free [3H]-norepinephrine.
8977	6	Functional Uptake Assay (rDAT)	Quantification of dopamine uptake was performed using synaptosomes isolated in a 0.32 M sucrose buffer from a male Wistar rat striatum. The uptake of radiolabelled dopamine by synaptosomes (20 ug of proteins/point) was allowed by incubating them for 15 minutes at 37&deg; C. in the presence of test compounds and [3H]-dopamine (0.1 uCi/point). The experiment was performed in a deep well. Synaptosomes and [3H]-dopamine were prepared in a Krebs buffer pH 7.4 containing 25 mM NaHCO3, 11 mM glucose and 50 uM ascorbic acid. This incubation buffer was oxygenated for 5 minutes before incubation. Basal control was incubated for 15 minutes at 4&deg; C. in order to avoid any uptake. Following this incubation, the uptake was stopped by filtration through a unifilter 96-wells GFB Packard plate washed with Krebs buffer containing 25 mM NaHCO3 in order to eliminate free [3H]-dopamine. The radioactivity associated to the synaptosomes retained onto the unifilter corresponding to the uptake was then measured with a microplate scintillation counter (Topcount, Packard) using a scintillation fluid.
8978	1	Biological Assay	Prokineticin receptor 1 (PKR1) antagonists may be functionally assessed by measurement of change in intracellular calcium levels induced by Gq mediated increase in inositol triphosphate (IP3) levels. The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.
8979	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L, assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
8980	1	Kinase Activity Inhibition Assay	Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 &#956;M, FGFR1 substrate); and Poly [E,Y] 4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology. And pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, a mixture of ATP and 33P-&#947;-ATP (PerkinElmer) was added to a final concentration of 10 &#956;M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature and then spotted onto Whatman P81 ion exchange filter paper. Unbound phosphate was removed by extensively washing filters in 0.75% phosphoric acid.
8981	1	Fluorescence Resonance Energy Transfer (FRET) Assay	FRET assay can be used to effectively monitor the inhibition of CBF binding to the Runt domain of RUNX proteins (as well as for CBF&#946;-SMMHC binding to the Runt domain of RUNX proteins). For the assay, the green fluorescent protein derivative Cerulean is fused to the N-terminus of the Runt domain and the green fluorescent protein derivative Venus to the N-terminus of CBF&#946;.
8982	1	Enzymatic Inhibition Assay	Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modification of PARP14 by biotinylated nicotinamide adenine dinucleotide (biotin-NAD). 1 &#956;L of a dose response curve of each test compound was spotted in 384-well nickel-coated white microplates (Thermo) using a Mosquito (TTP Labtech). Reactions were performed in a 50 &#956;L volume by adding 40 &#956;L of PARP14 in assay buffer (20 mM HEPES pH==8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002%0 Tween20), incubating with test compound at 25° C. for 30 min, then adding 10 &#956;L of biotin-NAD (Biolog). The final concentrations of PARP14 and biotin-NAD are 50 nM and 3 &#956;M, respectively. Reactions proceeded at 25° C. for 3 h, then were quenched with 5 &#956;L of 10 mM unmodified nicotinamide adenine dinucleotide (Sigma-Aldrich). The quenched reactions were washed 3 times with 100 &#956;L of TBST wash buffer (50 mM Tris-HCl, 150 mM NaCl and 0.1% Tween20). Next, to the washed and dried plate was added 25 &#956;L of DELFIA Europium-N1 streptavidin (Perkin Elmer) diluted in DELFIA assay buffer (Perkin Elmer). After a 30 min incubation at 25° C., the plate was washed 5 times with TBST wash buffer. Finally, 25 &#956;L of DELFIA enhancement solution was added. After a 5 min incubation the plate was read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 340 nm and emission of 615 nm to measure the amount of Europium present in each well, informing on the amount of biotin-NAD that was transferred in the automodification reaction. 
8983	1	Kinase Inhibition Assay	ITK: The in vitro kinase assays were performed at Nanosyn utilizing micro-fluidic detection technology. The test compounds were serially pre-diluted in DMSO and added, by the acoustic dispensing (Labcyte 550), directly to 384 well assay plates into 10 uL of a buffer with enzyme comprising: 100 mM HEPES, pH7.5, 5 mM MgCl2, 0.1% bovine serum albumin, 1 mM DTT, 0.01% Triton X-100 and the enzyme. Final DMSO concentration was maintained at 1% in all samples, including the controls. The reactions were initiated by addition of ATP (to the specified concentration) and the fluorescently labeled peptide substrate to a final concentration of 1 uM, and incubated for 3 hours at 25° C. Following incubation, the reactions were quenched by addition of 40 &#956;L of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 50 mM EDTA). Terminated plates were analyzed using Caliper LabChip 3000 microfluidic electrophoresis instrument (Caliper Life Sciences/Perkin Elmer). The enzymatic modification of the peptide substrate (phosphorylation) results in a change of net charge enabling electrophoretic separation of product from substrate. As substrate and product are separated by electrophoresis, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks was the parameter measured, reflecting enzyme activity. In the presence of inhibitor, the ratio between product and substrate is altered: signal of the product decreases, while the signal of the substrate increases. Activity in each test sample was determined as the product to sum ratio (PSR):P/(S+P), where P is the peak height of the product and S is the peak height of the FAM-cAMP substrate. For each compound, enzyme activity was measured at 12 concentrations spaced by 3× dilution intervals.
8983	2	Kinase Inhibition Assay	RLK/TXK: The in vitro kinase assays were performed at Nanosyn utilizing micro-fluidic detection technology. The test compounds were serially pre-diluted in DMSO and added, by the acoustic dispensing (Labcyte 550), directly to 384well assay plates into 10 uL of a buffer with enzyme comprising: 100 mM HEPES, pH7.5, 5 mM MgCl2, 0.1% bovine serum albumin, 1 mM DTT, 0.01% Triton X-100 and the enzyme. Final DMSO concentration was maintained at 1% in all samples, including the controls. The reactions were initiated by addition of ATP (to the specified concentration) and the fluorescently labeled peptide substrate to a final concentration of 1 uM, and incubated for 3 hours at 25° C. Following incubation, the reactions were quenched by addition of 40 &#956;L of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 50 mM EDTA). Terminated plates were analyzed using Caliper LabChip3000 microfluidic electrophoresis instrument (Caliper Life Sciences/Perkin Elmer). The enzymatic modification of the peptide substrate (phosphorylation) results in a change of net charge enabling electrophoretic separation of product from substrate. As substrate and product are separated by electrophoresis, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks was the parameter measured, reflecting enzyme activity. In the presence of inhibitor, the ratio between product and substrate is altered: signal of the product decreases, while the signal of the substrate increases. 
8983	3	Kinase Inhibition Assay	Tec: The in vitro kinase assays were performed at Nanosyn utilizing micro-fluidic detection technology. The test compounds were serially pre-diluted in DMSO and added, by the acoustic dispensing (Labcyte 550), directly to 384well assay plates into 10 uL of a buffer with enzyme comprising: 100 mM HEPES, pH7.5, 5 mM MgCl2, 0.1% bovine serum albumin, 1 mM DTT, 0.01% Triton X-100 and the enzyme. Final DMSO concentration was maintained at 1% in all samples, including the controls. The reactions were initiated by addition of ATP (to the specified concentration) and the fluorescently labeled peptide substrate to a final concentration of 1 uM, and incubated for 3 hours at 25° C. Following incubation, the reactions were quenched by addition of 40 &#956;L of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 50 mM EDTA). Terminated plates were analyzed using Caliper LabChip 3000 microfluidic electrophoresis instrument (Caliper Life Sciences/Perkin Elmer). The enzymatic modification of the peptide substrate (phosphorylation) results in a change of net charge enabling electrophoretic separation of product from substrate. As substrate and product are separated by electrophoresis, two peaks of fluorescence are observed. 
8984	1	Enzyme Kinase Activity Assay	The enzyme reaction substrate Poly(Glu,Tyr) 4:1 was diluted with PBS without potassium ion (10 mM sodium phosphate buffer, 150 mM NaCl, pH7.2-7.4) to 20 &#956;g/mL, 125 &#956;L/well to coat the enzyme plate, and reacted at 37° C. for 12-16 hours. After the liquid was removed from the wells, the plate was washed three times with 200 &#956;L/well of T-PBS (PBS containing 0.1% Tween-20) for 5 minutes each. The enzyme plate was dried in a 37° C. oven for 1-2 hours.50 &#956;L of the ATP solution diluted with the reaction buffer (50 mM HEPES pH 7.4, 50 mM MgCl2, 0.5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT) was added into each well at a 5 &#956;M final concentration. The compounds were diluted to the appropriate concentration in DMSO, 1 &#956;L/well or containing the corresponding concentrations of DMSO (negative control wells). The reaction was initiated by addition of each kinase domain recombinant protein diluted with 49 &#956;L of reaction buffer. Two control wells without ATP were set in each experiment. The reaction mixtures were placed on a shaker (100 rpm) to react at 37° C. for 1 hour. The plates were washed with T-PBS for three times. 100 &#956;L/well of the primary antibody PY99 dilution was added, and reacted on a shaker (100 rpm) at 37° C. for 0.5 hour. The plates were washed with T-PBS for three times. 100 &#956;L/well of the secondary anti-horseradish peroxidase-labeled goat anti-mouse IgG dilution was added, and reacted on a shaker at 37° C. for 0.5 hour. The plates were washed with T-PBS for three times. 100 &#956;L/well of 2 mg/mL OPD developing solution (diluted with 0.1M citric acid-sodium citrate buffer containing 0.03% H2O2 (pH=5.4)), and reacted in dark for 1-10 minutes at 25° C. (Ultrasound is needed in OPD dissolution, and the developing solution should be prepared on the site). The reaction was quenched with 50 &#956;L/well of 2M H2SO4, and read out at 490 nm using a tunable microplate microplate reader SPECTRA MAX 190.
8985	1	Kinase Activity Inhibition Assay	IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76 ng/4) with reaction buffer (40 mM Tris-HC1, pH 7.5; 20 mM MgCl2; 0.1 mg/mL BSA; 1 mM DTT), and added to a 384-well plate at 5 &#956;L/well. The test drugs were 10-fold serial diluted from 10 &#956;M to set six concentration points and added to the test wells of the 384-well plate at 2.5 &#956;L/well. After incubation for 10 min at 25° C., 10 &#956;M of ATP and 0.1 &#956;g/&#956;L of an enzyme reaction substrate, myelin basic protein MBP (purchased from Signal Chem, Cat. No.: M42-51N) were added at 2.5 &#956;L/well, and reacted at 25° C. for 60 minutes. After the reaction was completed, the kinase activity assay was performed using the ADP-Glo kinase assay kit (purchased from Promega, Cat. No.: V9102) according to the manufacture&#39;s instruction, i.e., 10 &#956;L of ADP-Glo reaction reagent was first added and reacted at 25° C. for 40 minutes, 10 &#956;L of the reaction mixture was taken and mixed with 10 &#956;L of ADP-Glo detection reagent, and reacted at 25° C. for 30 minutes.
8986	1	Receptor Coactivator Assay	Purchasing invitrogen PV4833 kits. The procedure refers to LanthaScreen TR-FRET Farnesoid X Receptor Coactivator AssayFirst, the required amount of the compound was weighed and dissolved in 100% DMSO at the maximum concentration of 3000 &#956;M. The solution at the maximum concentration was diluted by 3-fold serial dilution in DMSO to get 10 concentrations;Second, the above prepared solutions of different concentrations were diluted to 50-fold with a buffer supplied with the kit, to 2× compound solution, followed by mixing and then 10 &#956;L of the diluted solution was added to a 384 well plate;Third, FXR-LBD was diluted with a buffer to 4× solution, and 5 &#956;L of the diluent was added to the 384 well plate of second step;Fourth, Fluorescein-SRC2-2 and Tb anti-GST antibody were diluted to 4× Fluorescein-SRC2-2 and Tb anti-GST antibody solution. Then two reagents were mixed together, and 5 &#956;L of the mixture was added to the 384 well plate of third step;Finally, the solution of the 384 well above was mixed uniformly by centrifuging, and then incubated at room temperature for 1 h. Then the TR-FRET Endpoint method was used for measuring the solution at wavelengths of 520 nm, 495 nm and 337 nm. EC50 values were calculated according to the measured value of ER=520 nm/495 nm.
8987	1	In Vitro Pharmacology Assay	In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm). The data was analyzed using Prism Software (GraphPad Inc, San Diego, Calif.).In one embodiment, the compounds provided herein were run through a whole cell PDE-10 assay to assess their abilities to elevate intracellular concentrations of cAMP after PDE-10 blockade. Briefly, intracellular cGMP levels in HEK293 cells over-expressing PDE-10A were measured in a cell-based assay. Cells were plated into 96-well plates at a density of 100,000 cells per well and incubated at 37° C. overnight. The following day, cells were treated with a compound provided herein in fresh culture medium for 30 minutes. Sodium nitroprusside was then added from a 5× stock to a final concentration of 200 &#956;M and the cells were incubated for 2 minutes exactly. The reaction was then stopped by addition of 200 &#956;L Lysis Reagent A (GE Healthcare) and the intracellular cGMP concentration was determined using a cGMP EIA kit (GE Healthcare) according to the manufacturer&#39;s instructions. 
8988	1	Binding Assays	[3H]R N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5&#8242;-N-ethylcarboxamido-adenosine) (41, [3H]CGS21680, 40.5 Ci/mmol) and [25I]N6-(4-amino-3-iodobenzyl)adenosine-5&#8242;-N-methyluronamide (42, [125I]I-AB-MECA, 2200 Ci/mmol) were purchased from Perkin-Elmer Life and Analytical Science (Boston, Mass.). Test compounds were prepared as 5 mM stock solutions in DMSO and stored frozen. Pharmacological standards 1b (A3AR agonist), adenosine-5&#8242;-N-ethylcarboxamide (43, NECA, nonselective AR agonist) and 2-chloro-N6-cyclopentyladenosine (44, CCPA, A1AR agonist) were purchased from Tocris R&D Systems (Minneapolis, Minn.).Cell Culture and Membrane Preparation CHO cells stably expressing the recombinant hA1 and hA3ARs and HEK293 cells stably expressing the hA2AAR were cultured in Dulbecco&#39;s modified Eagle medium (DMEM) and F12 (1:1) supplemented with 10% fetal bovine serum, 100 units/mL penicillin, 100 &#956;g/mL streptomycin, and 2 &#956;mol/mL glutamine. In addition, 800 &#956;g/mL geneticin was added to the A2A media, while 500 &#956;g/mL hygromycin was added to the A1 and A3 media. After harvesting, cells were homogenized and suspended in PBS. Cells were then centrifuged at 240 g for 5 min, and the pellet was resuspended in 50 mM Tris-HCl buffer (pH 7.5) containing 10 mM MgCl2. The suspension was homogenized and was then ultra-centrifuged at 14,330 g for 30 min at 4° C. The resultant pellets were resuspended in Tris buffer, incubated with adenosine deaminase (3 units/mL) for 30 min at 37° C. The suspension was homogenized with an electric homogenizer for 10 sec, pipetted into 1 mL vials and then stored at &#8722;80° C. until the binding experiments. The protein concentration was measured using the BCA Protein Assay Kit from Pierce Biotechnology, Inc. (Rockford, Ill.).27Binding Assays:Into each tube in the binding assay was added 50 &#956;L of increasing concentrations of the test ligand in Tris-HCl buffer (50 mM, pH 7.5) containing 10 mM MgCl2, 50 &#956;L of the appropriate agonist radioligand, and finally 100 &#956;L of membrane suspension. For the A1AR (22 &#956;g of protein/tube) the radioligand used was [3H]40 (final concentration of 3.5 nM). For the A2AAR (20 &#956;g/tube) the radioligand used was [3H]41 (10 nM). For the A3AR (21 &#956;g/tube) the radioligand used was [125I]42 (0.34 nM). Nonspecific binding was determined using a final concentration of 10 &#956;M 43 diluted with the buffer. The mixtures were incubated at 25° C. for 60 min in a shaking water bath. Binding reactions were terminated by filtration through Brandel GF/B filters under a reduced pressure using a M-24 cell harvester (Brandel, Gaithersburg, Md.). Filters were washed three times with 3 mL of 50 mM ice-cold Tris-HCl buffer (pH 7.5). Filters for A1 and A2AAR binding were placed in scintillation vials containing 5 mL of Hydrofluor scintillation buffer and counted using a Perkin Elmer Liquid Scintillation Analyzer (Tri-Carb 2810TR). Filters for A3AR binding were counted using a Packard Cobra II &#947;-counter. The Ki values were determined using GraphPad Prism for all assays.Similar competition binding assays were conducted using HEK293 cell membranes expressing mARs using [125I]42 to label A1 or A3ARs and [3H]41 to label A2AARs. IC50 values were converted to Ki values as described.28 Nonspecific binding was determined in the presence of 100 &#956;M 43.
8989	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2 domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2 domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration<0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (lx PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. The Kds were determined using a compound top concentration of 30,000 nM. Kd measurements were performed in duplicate.Binding constants (Kds) were calculated with a standard dose-response curve using the Hill equation.
8990	1	In vitro BTK kinase assay	BTK-POLYGAT-LS ASSAY. The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 &#956;L aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, 1 &#956;L of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 &#956;L of a 50 mM EDTA solution. Aliquots (5 &#956;L) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 &#956;L of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
8991	1	EPX Bromination Assay	EPX bromination activity was measured in 100 mM KPi (pH 7.4) by monitoring the H2O2 catalyzed formation of 3-bromo tyrosine from tyrosine and potassium bromide. A 50 &#956;l mixture of 0.6 &#956;M EPX (Lee Biosolutions Cat. #342-60) was added to 100 nL inhibitor in 100% DMSO in a 384 well REMP plate. Enzyme and compound were preincubated for ten minutes at room temperature.After the ten minute preincubation of enzyme and inhibitor, 25 &#956;L of a mixture containing 400 &#956;M tyrosine and 1200 &#956;M potassium bromide was added to the plate containing enzyme and inhibitor, followed by the addition of 25 &#956;l of 20 &#956;M H2O2. The reaction was allowed to proceed for 15 minutes, at which time it was quenched with 10 &#956;L of 20% TCA. The final concentrations of all components were 0.3 &#956;M EPX, 100 &#956;M tyrosine, 400 &#956;M potassium bromide, 5 &#956;M H2O2, 0.1% DMSO, 2.0% TCA.
8991	2	MPO Peroxidation Assay (Amplex Red Assay)	MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen Cat. #A12222) which can be oxidized to the highly fluorescent resorufin. Amplex Red is oxidized by the peroxidase action of MPO to resorufin. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 40 nM H2O2 (Sigma #349887) to 100 nL inhibitor in 100% DMSO in a 384 well Perkin Elmer Optiplate. Enzyme and compound were preincubated for ten minutes at room temperature.After the ten minute preincubation, 25 &#956;L of an Amplex Red mixture containing 200 &#956;M Amplex Red and 10 mM H2O2 was added to the plate. Kinetic determinations were carried out immediately on a Perkin Elmer Envision (15 minute kinetic read, Ex: 535 nm, Em: 590 nm).
8991	3	MPO Chlorination Assay (APF Assay)	MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen Cat. #A36003). APF is cleaved by ( OCl) to yield the fluorescent compound fluorescein. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 120 mM NaCl to 100 nL inhibitor in 100% DMSO in a 384 well, non-binding surface clear bottom plate (Corning #3655). Enzyme, inhibitor, and chloride were preincubated for ten minutes at room temperature.After the ten minute preincubation, 25 &#956;L of an APF mixture containing 10 mM APF, 120 mM NaCl and 10 &#956;M H2O2 was added to the plate using the internal dispensing system of a Hammatsu FDSS 6000. Kinetic determinations were carried out immediately on the FDSS 6000 (3 minute kinetic read, 1 read every second, ex: 485 nm, em: 535 nm). IC50 values for inhibitors were calculated by taking the slope of the linear portion of the kinetic measurement (20 seconds to 80-120 secs).
8992	1	In Vitro Inhibition of DAGL	Briefly, membrane proteome (1 mg/ml, 20 &#956;L) was prepared from HEK293T cells (transiently transfected with hDAGL&#945;-FLAG or hDAGL&#945;-S472A-FLAG, hDAGL&#946;-FLAG or hDAGL&#946;-S443A-FLAG) as described in Example 16. The proteome was incubated at room temperature with vehicle (DMSO) or compound in 0.5 &#956;L DMSO for 30 min. The membrane proteome sample was subsequently treated for 30 min with HT-01 probe (1 &#956;M) or FP-Rh probe (1 &#956;M). The reactions were quenched with 10 &#956;L 3× Laemmli sample buffer (final concentrations: 60 mM Tris-Cl pH 6.8, 2% (w/v) SDS, 10% (v/v) glycerol, 5% (v/v) (3-mercaptoethanol, 0.01% (v/v) bromophenol blue). The samples were directly loaded and resolved on SDS page gel (10% acrylamide). The gels were scanned using a ChemiDoc MP system (Cy3 settings, 605/50 filter).The resolved proteins were transferred from the gels to a polyvinyldifluoride membrane for Western Blotting using a Trans-Blot Turbo (BioRad). FLAG-tagged enzymes were stained using rabbit anti-FLAG as primary antibody, and goat-anti-rabbit HRP as secondary antibody. The blot was developed in the dark using a 10 mL luminal solution, 100 &#956;L ECL enhancer and 3 &#956;L H2O2. Chemiluminescence was visualized using a ChemiDoc XRS (BioRad).The percentage of DAGL activity remaining in the assayed samples was determined by measuring the integrated optical intensity of the fluorescent protein bands of the Western Blot using image lab 4.1. The relative intensity was compared to the vehicle (DMSO) treated proteins, which were set to 100%. IC50 values were determined by plotting a log(inhibitor) vs. normalized response (Variable slope) dose-response curve generated using Prism software (GraphPad).
8993	1	Jurkat HIV Latency assay	For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal bovine serum) containing an equal mixture of three HIV-infected Jurkat cell clones (C16, I15 and N6) at a total concentration of 1-2×10e5 cells/mL. To test stability, compounds are pre-incubated in an assay medium for 48 hours at 37° C. prior to adding cells (48 hr EC50). Compounds that induce HIV expression result in a dose-dependent production of the HIV expressed luciferase enzyme. After the incubation of cells with compound for 24 hours at 37° C., HIV activation and cytotoxicity are determined by measuring luminescence after the addition of Promega Steady-Glo Luciferase Assay reagent or CellTiter-Glo Luminescent Cell Viability Assay reagent, respectively.
8994	1	Efficacy of ELQ-337 In Vitro	In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 values against all test strains in the low to sub-nanomolar range.
8995	1	NTR1 Ca2+ Flux Dose Response	NTSR1 (NTR1) CHO cells are plated in 20 &#956;L of assay media containing Ham&#39;s F12 supplemented with 10% fetal bovine serum and 0.4 mg/mL G418 at a concentration of 1.0×106 cells per mL into black, 384-well assay plates with clear bottoms using a Multidrop liquid handler. Assay plates are incubated at 37° C. in 5% CO2. The next day, the assay plates are aspirated to remove growth media and washed once with 20 &#956;L of DPBS. The DPBS is then aspirated from the assay plate and replaced with 25 &#956;L of Fluo-4 NW calcium dye prepared according to the manufacturer&#39;s recommendations then the plates are incubated for 1 hour at 37° C. Following the incubation in the presence of dye, the assay is run on a Molecular Devices FlexStation-III using 494 excitation and 516 emission wavelengths set to read for 90 seconds with the addition at 18 seconds of 5 &#956;L of 6× final concentration of test compounds and peptide control diluted in assay media containing 0.1% BSA and no more than 9% DMSO to yield a maximum final DMSO concentration of 1.5%. Percent activation is calculated based on the maximum response minus the minimum value over the time course relative to the neurotensin 1 control peptide at 100 &#956;M. EC50 values were calculated for those compounds tested in 8-point dose dependent response.
8996	1	IC50 for Inhibition of the Test Compounds on URAT1	After trypsin digestion, the expression cells (HEK293) stably expressing URAT1 gene and mock cells were all inoculated into lysine-coated 24-well culture plates, with the cell inoculation density being 1×105 cells/well, and cultured in incubator at 37° C., 5% CO2 and saturated humidity for 2 days. The culture fluid in the culture plate was removed, and the cultured cells were washed twice with DPBS and subjected to warm bath in DPBS buffer solution at 37° C. for 10 min, and then a solution (500 &#956;L) containing radioactive labeled probe substrate ([8-14C] uric acid) and 10 &#956;M test compound (or blank) was used to substitute for DPBS, with the concentration of [8-14C] uric acid being 30 &#956;M and the radiation intensity per well being 0.867 &#956;Ci. After 2 min, the reaction was terminated with ice-bathed DPBS buffer solution and washing was carried out for three times. Then 0.1 mol/L NaOH (500 &#956;L) was added into each well to lyse the cells, the lysate was extracted into a scintillation vial and a scintillation fluid (Aquasol-2, 3 mL) was added, and the intensity of radioactivity in the sample was measured using a Tri-Carb 2910TR liquid scintillation analyzer (PerkinElmer, Waltham, USA). The concentration of a certain specific test compound was changed and a series of concentration points (nine concentration points were set between 0.001-10 &#956;M) were set, to obtain the inhibition rates of the specific test compound at the above 9 concentration points. IC50 values for inhibition of the test compounds on URAT1 were calculated using the PRISM software based on the inhibition rate values of the test compound at different concentrations.
8997	1	[3H]-M-MPEP Radioligand Binding Assay	Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Forty-eight hours after transfection, cells were harvested and washed twice with ice cold phosphate-buffered saline. The pellet was re-suspended in ice-cold buffer containing 20 mM Tris-HCl, pH 7.4, 1 mM EDTA and homogenised with an Ultraturax for 30 s at maximum speed. The suspension was centrifuged (800×g for 5 min at 4° C.) and supernatant collected. Supernatant was centrifuged (40,000×g for 30 min at 4° C.). The resulting pellet was re-suspended and frozen at &#8722;80° C. before use. Protein concentration was determined using the BCA protein assay method (Merck Chemicals Ltd).[3H]-M-MPEP Radioligand Binding AssayAfter thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &#956;g protein per well. Saturation isotherms were determined by the addition of various concentrations (0-50 nM) of [3H]-M-MPEP (Gasparini et al. Bioorg. Med Chem. Lett. 2002, 12, 407-409) in a total reaction volume of 250 &#956;L for 90 min at rt. At the end of the incubation, membranes were filtered onto a 96-well GF/B filter pre-incubated with 0.1% polyethylenimine, with a Tomtec cell harvester and washed 5 times with 0.5 mL distilled water. Non-specific binding (NSB) was measured in the presence of 0.1 mM MPEP hydrochloride (Tocris bioscience, catalogue number 1212). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For competition binding experiments, membranes were incubated with [3H]-M-MPEP at a concentration equal to the KD value of the radioligand and 10 concentrations of the inhibitory compound (typically between the ranges of 0.1 mM-3.16 pM). IC50 values were derived from the inhibition curve and the equilibrium dissociation constant (Ki) values were calculated using the Cheng-Prussoff equation.
8998	1	Measurement of Biochemical Activity of Compounds	In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shift technology platform was used. Fluorescently labeled substrate peptide was incubated in the presence of kinase and ATP so that a reflective proportion of the peptide was phosphorylated. At the end of the reaction, the mix of phosphorylated (product) and non-phosphorylated (substrate) peptides were passed through the microfluidic system of the Caliper EZ Reader 2, under an applied potential difference. The presence of the phosphate group on the product peptide provides a difference in mass and charge between those of the substrate peptide, resulting in a separation of the substrate and product pools in the sample. As the pools pass a LEDS within the instrument, these pools are detected and resolved as separate peaks. The ratio between these peaks therefore reflects the activity of the chemical matter at that concentration in that well, under those conditions.
8998	2	RET Wild Type Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKD DIYFFFG-NH2) and 25 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
8998	3	RET V804L Gatekeeper Mutant Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKDDIYFFFG-NH2) and 10 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
8999	1	Measurement of TRPA1 Antagonist Activity	Human TRPA1 Expression PlasmidUsing cDNA encoding human TRPA1 (GenBank accession No. NM_007332) (manufactured by Kazusa DNA Research Institute, item No. FHC07217) as a template, primer 1 (SEQ ID NO: 1) and primer 2 (SEQ ID NO: 2), PCR by PfuUltra High-Fidelity DNA Polymerase (Stratagene) was performed, and full-length human TRPA1 gene was amplified.primer&#8195;1: (SEQ&#8195;ID&#8195;NO:&#8195;1) 5&#8242;-AACTTTTAGTAAGCTTCGATCGCCATGAAG-3&#8242; primer&#8195;2: (SEQ&#8195;ID&#8195;NO:&#8195;2) 5&#8242;-GTACCGATCTAGAATTCGTTTTACTAAGGCTCAAG-3&#8242;A recognition site (underlined) of restriction enzyme HindIII was added to the 5&#8242; end of human TRPA1 gene, and XbaI site (underlined) was added to the 3&#8242; end of human TRPA1 gene, and GTT of the template sequence was changed to termination codon TAG (bold). The obtained double stranded DNA was enzyme-digested with HindIII and XbaI, and introduced into a multicloning site of expression plasmid pcDNA3.1/zeo(+) (manufactured by Invitrogen) to give a human TRPA1 expression plasmid.Cell PreparationHuman embryonic kidney-derived 293T cells were cultured in Dulbecco&#39;s Modified Eagle Medium containing 10% fetal bovine serum, 10 unit penicillin, and 10 &#956;g streptomycin. One day before assay, 3×106 of 293T cells were plated on a petri dish having a diameter of 10 cm, and cultured in a CO2 incubator for 24 hr. OPTI-MEM I Reduced Serum Media (Invitrogen) (600 &#956;L), Mirus TransIT-293 (Mirus Bio) (18 &#956;L), and human TRPA1 expression plasmid (6 &#956;g) were mixed, the total amount of the mixture was added to the cells on the petri dish to allow for gene transfer. The cells were recovered about for 8 hr later, plated on a poly-D-lysine coated 384 well black/clear bottom plate at 12,000 cells/well, and cultured overnight.Measurement of Intracellular Calcium IncreaseThe medium was removed from the 384 well plate, calcium indicator (Molecular Device, trade name: FLIPR Calcium4 Assay Kit) dissolved in HBSS (Thermo Fisher Scientific) (pH 7.2) containing 20 mM HEPES was added (38 &#956;L/well), and the cells were stained in a CO2 incubator for 1 hr. The 384 well plate was stood at room temperature for not less than 15 min, set on FDSS7000 (Hamamatsu Photonics K.K.), and a test substance solution was added at 10 &#956;L/well. After 10 min, allylisothiocyanate solution (12 &#956;L/well) was added, the relative fluorescence intensity was measured for 5 min after addition of the allylisothiocyanate solution.Test Substance PreparationPreparation of Test Substance Solution and Allylisothiocyanate SolutionA test substance solution was prepared to have a composition of HBSS (Thermo Fisher Scientific) (pH 7.2) containing 0.48% dimethyl sulfoxide, a test substance at 4.8-fold concentration of the evaluation concentration, 0.1% bovine serum albumin and 20 mM HEPES. An allylisothiocyanate solution was prepared to have a composition of HBSS (Thermo Fisher Scientific) (pH 7.2) containing 0.1% dimethyl sulfoxide, 100 &#956;M allylisothiocyanate, 0.1% bovine serum albumin and 20 mM HEPES.Calculation of Antagonist ActivityThe activity rate of a test substance at each concentration was calculated, wherein the relative fluorescence intensity change of a well free of a test substance and containing allylisothiocyanate is 100% activity rate, and the relative fluorescence intensity change of a well free of a test substance and allylisothiocyanate is 0% activity rate. The inhibitory rate of a test substance at each concentration was calculated by subtracting the activity rate of the test substance from 100% activity rate, and the concentration of a test substance showing 50% inhibitory rate was calculated as IC50 from the sigmoid approximate curve by XLfit (idbs).
9000	1	QC Inhibition Assay	An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 300 &#956;M of Gln-&#946;NA and 0.2 units of human PAP I was prepared. QC was first incubated with an inhibitor at 25° C. for 30 minutes and the enzyme-inhibitor mixture was then added to the reaction mixture to initiate the cyclization reaction. An IC50 value was obtained by fitting an initial reaction rate versus an inhibitor concentration using KaleidaGraph. A Ki value of the inhibitor was calculated according to an equation IC50=Ki(1+[S]/Km). See Segel, Enzyme Kinetics: Behavior and Analysis of Rapid Equilibrium and Steady-State Enzyme Systems, pp. 100-118. New York: John Wiley & Sons, 1993. In this equation, [S] is a substrate (i.e., Gln-&#946;NA) concentration and Km is a Michaelis-Menten constant. The lower the Ki value, the higher the inhibitor&#39;s QC inhibition rate.
9001	1	Biological Assay	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 mg/ml bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per ml in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 ml SF9 lysate per 15 ml of diluted ROR&#947;-LBD.Compounds to be tested were injected to the 384-well assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-SPSSHSSLTERHKILHRLLQEGSP) (SEQ ID NO:1) and APC-conjugated streptavidin (final concentrations 100 nM and 8 nM respectively) were also added to each well.The final assay mixture was incubated overnight at 4° C., warmed to room temperature and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
9002	2	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 ml/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices) to generate IC50 values.
9002	3	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as:(Mt&#8722;M0)/Mwater×100%in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. Test compound concentration-dependent response data experiments performed in triplicate. Mean CYP2D6 IC50 values were derived from non-linear, least-squares fitting of dose-dependent response data to a standard logistic equation (Prism, GraphPad Software, Inc) to generate the CYP2D6 IC50.
9003	1	Inhibition of Human SHMT	Inhibition of human SHMT by compounds in this disclosure is evaluated, for example, in their racemic forms in an in vitro assay. For example, Compound 61 (also referred to as KDG-30) was tested and demonstrated inhibition in vitro for both SHMT1 and SHMT2 with IC50 values at 3.2 nM and 0.78 nM respectively, shown in FIGS. 2A and 2B.Of note, certain compounds in this disclosure are selective for SHMT. These compounds show activity against SHMT2 in vitro but do not inhibit human MTHFD2 in enzymatic assays.Enzymatic Assays:For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluated by coupling with excess MTHFD2, which converts NAD+ to NADH allowing for reaction monitoring by absorption at 340 nm. The reaction was started by addition of serine (1 mM final) to either human SHMT1 or human SHMT2 (2 mcg/mL), and human MTHFD2 (25 mcg/mL) in a buffer of 50 mM potassium phosphate (pH 7.4), 0.3 mM tetrahydrofolate, 7.5 mM dithiothreitol, 1.25 mM NAD+, and 4% DMSO. Inhibition of initial reaction velocity was determined by adding various inhibitors at different concentrations and monitored as described. IC50 may be calculated based on this assay.
9004	1	Assay on TRPM8 Modulators	A test comparable with that previously described in the literature by Behrendt H. J. et al., Br. J. Pharmacol. 141, 2004, 737-745, is carried out. The agonisation or antagonisation of the receptor can be quantified by means of a Ca2+-sensitive dye (e.g. FURA, Fluo-4, etc.). Agonists on their own bring about an increase in the Ca2+-signal; antagonists in the presence of, for example, menthol bring about a reduction in the Ca2+-signal (in each case detected by means of the Fluo-4 dye, which due to the Ca2+ has other fluorescent properties).To begin with, in a manner known per se, in cell culture flasks a fresh culture of transformed HEK cells is prepared. The HEK293-TRPM8 test cells are removed using trypsin from the cell culture flasks and 40 000 cells/well are sown with 100 &#956;l medium in 96-well plates (Greiner #655948 Poly-D-lysine coated). In order to induce the TRPM8 receptor the growth medium tetracycline is mixed in (DMEM/HG, 10% FCS tetracycline-free, 4 mM L-glutamine, 15 &#956;g/ml blasticidin, 100 &#956;g/ml hygromycin B, 1 &#956;g/ml tetracycline). The next day the cells are charged with Fluo-4Am dye and the test is performed. The procedure is as follows: Addition of 100 &#956;l/well of dye solution Ca-4 Kit (RB 141, Molecular Devices) per 100 &#956;l of medium (DMEM/HG, 10% FCS tetracycline-free, 4 mM L-glutamine, 15 &#956;g/ml blasticidin, 100 &#956;g/ml hygromycin B, 1 &#956;g/ml tetracycline). Incubation in the incubator for 30 minutes/37° C./5% CO2, 30 minutes/RT. Preparation of the test substances (different concentrations in 200 &#956;l HBSS buffer), and of positive controls (different concentrations of menthol or icilin or ionomycin in 200 &#956;l HBSS buffer) and negative controls (just 200 &#956;l of HBSS buffer). Addition of the test substances in quantities of 50 &#956;l/well and measurement of the change in fluorescence (e.g. in the FLIPR assay device, Molecular Devices or NovoStar, BMG) at 485 nm excitation, 520 nm emission, and evaluation of the effective strength of the various substances/concentrations and determination of the EC50 values.The test substances are used in triplicate in concentrations of between 0.1 and 200 &#956;m in the assay. Normally the compounds are kept ready in DMSO solutions and diluted for the assay to a maximum DMSO concentration of 2%.
9005	1	[3H]-Spiperone Binding Assay	[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3 or CHO-hD4, respectively), were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4Figure US10584135-20200310-P00001C). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.3 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (4 &#956;g and 12 &#956;g of protein for CHO-hD3- and CHO-hD4 membranes, respectively) and lasted for 90 or 100 min (for hD3 or hD4 membranes, respectively) at 23° C. in a final volume of 500 &#956;l. Non specific binding (NSB) was determined in the presence of 1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 &#956;l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.015 to 4.0 nM. Ref: Mackenzie R. G. et al. (1994). Characterization of the human dopamine D3 receptor expressed in transfected cell lines. Eur. J. Pharmacol., 266:79-85.
9005	2	Functional Calcium Assay at hD2 recombinant receptor	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were seeded into black walled clear-base 384-well plates at a density of 8,000 cells per well and grown overnight at 37° C. After washing with the assay buffer (20 mM HEPES, 145 mM NaCl, 5 mM KCl, 5.5 mM glucose, 1 mM MgCl2 and 2 mM CaCl2, pH 7.4) containing 2.5 mM Probenecid, cells were incubated with the cytoplasmic Ca2+ probe Fluo-4 AM at 1 &#956;M (final concentration), 37° C. for 60 min. Plates were washed three times as above and placed into a Fluorometric Imaging Plate Reader (FLIPR Tetra, Molecular Devices) to monitor cell fluorescence (ex=470-495 nm, em=515-575 nm) before and after the addition of different concentrations of test compounds. Compounds of invention were dissolved in DMSO and 200-fold diluted with assay buffer plus 0.01% Pluronic F-127. Cells were exposed first to test compounds for 10 min, then to a submaximal concentration of the hD2 receptor agonist dopamine (EC80, 50-140 nM). The fluorescence before compound addition (baseline) and before and after addition of agonist challenge was monitored. The peak of Ca2+ stimulation (baseline subtracted) was plotted versus the concentration of test compound and the curve fitted using a four-parameter logistic equation (XLfit) to assess the agonist/antagonist potency and maximal response.
9005	3	[3H]-Spiperone Binding Assay at hD2 recombinant receptor	CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#945;16 protein (CHO-G&#945;16-hD2L) were re-suspended in 20 mM HEPES, 2 mM EDTA (pH 7.4), homogenised and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellet was re-suspended in 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4) and aliquots were kept at &#8722;80° C. [3H]-Spiperone Binding experiments were performed in 96 deep-well polypropylene plates in 50 mM Tris/HCl, 120 mM NaCl, 5 mM KCl, 5 mM MgCl2 (pH 7.4). Compounds of invention were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final in the assay). Displacement was performed in the presence of 0.08 nM [3H]-Spiperone. The reaction was initiated by the addition of membrane suspension (2 &#956;g of protein for CHO-hD2 membranes) and lasted for 120 min at 23° C. in a final volume of 1000 &#956;l. Non specific binding (NSB) was determined in the presence of 0.1 &#956;M Spiperone. The binding reaction was stopped by rapid filtration through GF/B filterplates pre-soaked in 0.5% polyetylenimmine (PEI) using a Packard cell harvester. After washing with ice-cold 0.9% NaCl, the plate was left to dry before the addition of Microscint 20 (50 &#956;l/well, PerkinElmer). Radioactivity was counted with a TopCount (PerkinElmer). Data were analysed by non-linear regression analysis using GraphPad Prism 5.0 (GraphPad Software) or XLfit Version 5.2.0.0 (Copyright 2006-2009 ID Business Solutions Ltd). Saturation binding experiments were performed similar to the competition binding experiments using a radioligand concentrations ranging from 0.011 to 3.0 nM. Ref: Durcan M. J. et al. (1995). Is Clozapine selective for the dopamine D4 receptor? Life Sciences, 57: 275-283. Petrus J. et al. (2001). Real-time analysis of dopamine: antagonist interactions at recombinant human D2long receptor upon modulation of its activation state. Brit. J. Pharmacol. 134, 88±97.
9006	1	Enzyme-Linked Immunosorbent Assay	Plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the samples were diluted to 1:5 in dilution medium in the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was added with 2% SA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
9007	1	Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in deep well 384 plates in a final volume of 40 &#956;L at room temperature. The assay mixture contained the following: assay buffer (100 mM Tris.Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 10 &#956;M of oleoyl-CoA and 10 ng/&#956;L of DGAT2 membrane.
9008	1	 Amplified Luminescence Proximity Homogeneous Assay	The B-Raf kinase activity reaction was started by the addition of 10 &#956;l piper well of 2×ATP (10 &#956;M) diluted in assay buffer. After 3 hours, the reactions were stopped with the addition of 10 &#956;l of stop reagent (60 mM EDTA, 0.01% Tween20). Phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 30 &#956;l to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:1000 dilution of both beads) in bead buffer (50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and the plate was incubated for 1 hour at room temperature. The luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software
9009	1	TR-FRET- Based Assay	The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or MnCl2). In a separate 96-well polypropylene plate, compound dilutions were prepared in assay buffer. Separate microcentrifuge tubes were prepared of PDE4B and PDE4D according to assay template in assay buffer. The tubes were kept on ice. The enzyme concentration shown on the template were diluted by 1:4. FAM-cAMP substrate solution was prepared according to assay template. 5 &#956;l compound was transferred from polypropylene plate into black 384-well plate. This plate was centrifuged briefly to make sure all 5 &#956;l is on the bottom. Up to 80 &#956;l of prepared PDE4B enzyme solution was transferred into alternate wells on row N of 384-well plate starting from cell N1. Up to 80 &#956;l of prepared PDE4D enzyme solution was transferred into alternate wells on row O of 384-well plate, starting from cell O2. cAMP substrate solution was transferred into bottom row of separate 96-well plate. 5 &#956;l of enzyme solution from the reservoir row (N or O) was transferred to each of the wells containing compounds, per layout map. Next, 10 &#956;l of cAMP substrate was transferred to these wells. The order of substrate-first or enzyme-first can be switched depending on what is optimal. The final cAMP concentration was 100 nM in the reaction. 20 &#956;l of assay buffer was pipetted into 4 separate wells these are the blanks. The plate was sealed with an aluminum strip and incubated at 30° C. for 90 minutes. A TR-FRET solution was prepared. 4 ml of 1× IMAP Buffer A was added to 6 ml of IMAP Buffer B. 25 &#956;l ( 1/800 of 20 ml) of binding beads was added to this and mix by inverting. 60 &#956;l of this mixture was pipetted into 2 of the wells containing the blank assay buffer. Next, 49.7 &#956;l ( 1/400 of remaining volume) of Tb donor solution was added to the remaining TR-FRET solution and mixed by inverting. 60 &#956;l of this solution was pipetted into remaining 2 blank assay buffer-containing wells. The TR-FRET solution was poured into a pipette boat and a multichannel pipette was used to drop 60 &#956;l of solution into all assay wells. The wells were covered with a foil strip and incubated for at least 3 hours or overnight protected from light (e.g. in a drawer) at room temperature.
9010	1	Fluorescence Polarization Displacement	Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ER&#945; (Table 1). Only six compounds showed any significant affinity for the receptor at concentrations as high as 1 &#956;M. These compounds include five of the six steroid-core compounds 2, 4, 7, 11, and 13 and one bicyclic compound 18. Of the remaining six compounds which did not bind to ER&#945;, one has the steroid core while the others contain the linked ring cores containing a flanking hydroxyl group a structure whose hydrophobic interior and hydrophilic exterior resembles that of estrogen itself.
9011	1	Biochemical Activity 	PARP-1: The autoparsylation assay is performed as 384-well HTRF (Cisbio, Codolet, France) assay format in Greiner low volume nb 384-well microtiter plates. 35 nM His-tagged Parp-1 (human, recombinant, Enzo Life Sciences GmbH, L rrach, Germany) and a mixture of 125 nM bio-NAD (Biolog, Life science Inst., Bremen, Germany) and 800 nM NAD as co-substrate are incubated in a total volume of 6 &#956;l (100 mM Tris/HCl, 4 mM Mg-chloride, 0.01% IGEPAL CA630, 1 mM DTT, 0.5% DMSO, pH 8, 13 ng/&#956;l activated DNA (BPS Bioscience, San Diego, US)) in the absence or presence of the test compound (10 dilution concentrations) for 150 min at 23° C. The reaction is stopped by the addition of 4 &#956;l of the Stop/detection solution (70 nM SA-Xlent (Cisbio, Codolet, France), 2.5 nM Anti-His-K (Eu-labelled anti-His, Cisbio, Codolet, France) in 50 mM HEPES, 400 mM KF, 0.1% BSA, 20 mM EDTA, pH 7.0). After 1 h incubation at room temperature the HTRF iss measured with an Envision multimode reader (Perkin Elmer LAS Germany GmbH) at excitation wavelength 340 nm (laser mode) and emission wavelengths 615 nm and 665 nm. The ratio of the emission signals is determined. The full value used is the inhibitor-free reaction. The pharmacological zero value used is Olaparib (LClabs, Woburn, US) in a final concentration of 1 &#956;M. 
9011	2	Biochemical Activity Assay	TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Heidelberg, Germany). The plates are pre-equilibrated with PBS. Then the plates are incubated with 50 &#956;l 20 ng/well GST-tagged Tnks-1 (1023-1327 aa, prepared in-house), respectively GST-tagged Tnks-2 (873-1166 aa, prepared in-house) in assay buffer (50 mM HEPES, 4 mM Mg-chloride, 0.05% Pluronic F-68, 2 mM DTT, pH 7.7) overnight at 4° C. The plates are washed 3 times with PBS-Tween-20. The wells are blocked by incubation at room temperature for 20 minutes with 50 &#956;l blocking buffer (PBS, 0.05% Tween-20, 0.5% BSA). Afterwards the plates are washed 3 times with PBS-Tween-20. The enzymatic reaction is performed in 50 &#956;l reaction solution (50 mM HEPES, 4 mM Mg-chloride, 0.05% Pluronic F-68, 1.4 mM DTT, 0.5% DMSO, pH 7.7) with 10 &#956;M bio-NAD (Biolog, Life science Inst., Bremen, Germany) as co-substrate in the absence or presence of the test compound (10 dilution concentrations) for 1 hour at 30° C. The reaction is stopped by 3 times washing with PBS-Tween-20. For the detection 50 &#956;l of 20 ng/&#956;l Streptavidin, HRP conjugate (MoBiTec, G ttingen, Germany) in PBS/0.05% Tween-20/0.01% BSA are added and the plates are incubated for 30 minutes at room temperature. After three times washing with PBS-Tween-20 50 &#956;l of SuperSignal ELISA Femto Maximum sensitivity substrate solution (ThermoFisherScientific (Pierce), Bonn, Germany) are added. Following a 1 minute incubation at room temperature luminescence signals are measured with an Envision multimode reader (Perkin Elmer LAS Germany GmbH) at 700 nm. 
9012	1	Lanthscreen Eu Kinase Binding assay	A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is based on the binding and displacement of Alexa Fluor647-labeled Kinase Tracer #236 to the ATP-binding site of human full length His-tagged BTK (Life Technologies cat # PV3587) with TR-FRET detection using a europium-labeled anti-His antibody. The assay was assembled in 384-well low volume NBS black plates (Corning) where 2 nM BTK and test compound in DMSO at varying concentrations were pre-incubated for 30 min at 28° C. in assay buffer consisting of 50 mM HEPES, pH 7.4, 10 mM MgCl2, 1 mM EGTA. 100 &#956;M Na3VO4 and 0.01% Brij 35. Then, 2 nM of Eu-anti His antibody and 30 nM Kinase Tracer were added and incubated for 60 mM at 28° C. Following incubation, TR-FRET signal was read on an Envision plate reader (Excitation: 340 nm; Emissions: 615 and 665 nm). The 665: 615 nm emission ratio was calculated and converted to POC compared to control and blank wells.
9013	1	Biological Assay	A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in 100% DMSO to generate compounds for 11 point dose responseB. Reagent preparation1. Prepare 1x assay buffer containing 100 mM Tris pH 8.5, 4 mM DTT and 0.01% Tween-202. Dilute purified HeLa oligonucleosomes and recombinant histone H1 (New England Biolabs) in assay buffer to 1.67x.3. Dilute PRC2 4 protein complex (EZH2, EED, SUZ12, RbAp48) to 3.5x in assay buffer4. Prepare 10x3H SAM solution in assay buffer using 0.94 uCi/well of radioactive SAM (Perkin Elmer) and sufficient non-labeled SAM (Sigma) for 1.5 uM final concentration.5. Dilute TCA to 20% in DI waterC. Enzyme reaction1. Final reaction conditions are PRC2 4-protein complex at 4 nM when using WT EZH2 or 6 nM when using Y641N mutant EZH2, 1.5 uM SAM, 25 ug/mL oligonucleosomes, 50 nM rH1 in a 50 ul reaction volume.2. Add 1 ul of diluted compound to the assay plate (96-well V-bottom polypropylene plates) or 1 ul of DMSO for control wells.3. Add 30 ul of nucleosomes to the assay plate4. Add 14 ul of either WT or Y641N mutant PRC2 4 protein complex to the assay plate5. Add 5 ul of 3H SAM to start the reaction.6. Stop the reaction after 60 minutes with the addition of 100 ul of 20% TCA7. Transfer 150 ul of quenched reaction into a prepared filterplate (Millipore # MSIPN4B10)8. Apply vacuum to the filterplate to filter the reaction mix through the membrane.9. Wash the filterplate with 5x200 ul of PBS, blot dry and dry in an oven for 30 minutes10. Add 50 ul of microscint-20 scintillation fluid (Perkin Elmer) to each well, wait 30 minutes and count on a liquid scintillation counter.
9013	2	Biological Assay (10X SAM)	A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in 100% DMSO to generate compounds for 11 point dose responseB. Reagent preparation1. Prepare 1x assay buffer containing 100 mM Tris pH 8.5, 4 mM DTT and 0.01% Tween-202. Dilute purified HeLa oligonucleosomes and recombinant histone H1 (New England Biolabs) in assay buffer to 1.67x.3. Dilute PRC2 4 protein complex (EZH2, EED, SUZ12, RbAp48) to 3.5x in assay buffer4. Prepare 10x3H SAM solution in assay buffer using 0.94 uCi/well of radioactive SAM (Perkin Elmer) and sufficient non-labeled SAM (Sigma) for 15 uM final concentration.5. Dilute TCA to 20% in DI waterC. Enzyme reaction1. Final reaction conditions are PRC2 4-protein complex at 4 nM when using WT EZH2 or 6 nM when using Y641N mutant EZH2, 1.5 uM SAM, 25 ug/mL oligonucleosomes, 50 nM rH1 in a 50 ul reaction volume.2. Add 1 ul of diluted compound to the assay plate (96-well V-bottom polypropylene plates) or 1 ul of DMSO for control wells.3. Add 30 ul of nucleosomes to the assay plate4. Add 14 ul of either WT or Y641N mutant PRC2 4 protein complex to the assay plate5. Add 5 ul of 3H SAM to start the reaction.6. Stop the reaction after 60 minutes with the addition of 100 ul of 20% TCA7. Transfer 150 ul of quenched reaction into a prepared filterplate (Millipore # MSIPN4B10)8. Apply vacuum to the filterplate to filter the reaction mix through the membrane.9. Wash the filterplate with 5x200 ul of PBS, blot dry and dry in an oven for 30 minutes10. Add 50 ul of microscint-20 scintillation fluid (Perkin Elmer) to each well, wait 30 minutes and count on a liquid scintillation counter.
9014	1	Binding Assay	ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).
9015	1	In Vitro Assay	CB2: CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
9015	2	In Vitro Assay	CB1: CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
9016	1	Biochemical Assay	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5, 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 50 &#956;l in assay buffer, with histone H2A (5 &#956;M final) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 5 nM and the compounds were allowed to preincubate for 15 to 20 minutes at room temperature. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer) to final concentration of 1 &#956;M. Following a 60 minutes incubation at 30° C., the reaction was stopped by adding 100 &#956;L of 20% TCA. Each reaction was spotted onto filter plate (MultiScreen FB Filter Plate, Millipore), and washed 5 times with PBS buffer, Scintillation fluid was added to the filter plate and read in a scintillation counter.
9017	1	Inhibition Assay	LANCE method of PerkinElmer Inc. was used in the assay, and recombinant CDK4/CyclinD3 (Item No.: 04-105) and CDK6/CyclinD3 (Item No.: 04-107) kinases were purchased from Cama Biosciences, Inc. Substrate ULight-MBP (Item No.: TRF0109) and Eu-labeled anti-MBP antibody (Item No.: TRF0201) were purchased from PerkinElmer. HEPES PH7.5 (Item No.: #15630080), DTT (Item No.: # D1532), MgCl2 (Item No.: # AM9530G), EGTA (Item No.: # E1219), and EDTA (Item No.: # AM9260G) were purchased from Life Technology. Firstly, a 1× buffer solution A (50 mM HEPES, PH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20 and 2 mM DTT) was prepared. A compound to be tested was dissolved in DMSO to 1 mM, serially diluted with DMSO, and then diluted 25-fold with the buffer solution A (final concentration of DMSO: 1%). CDK4/CyclinD3 and CDK6/CyclinD3 were diluted respectively with the buffer solution A. Finally, the buffer solution A was used to prepare the substrate and ATP. 4 &#956;l of CDK4/CyclinD3 (final concentration: 2 nM) or CDK6/CyclinD3 (final concentration: 4 nM), 2 &#956;l of the diluted compound, and 4 &#956;l of a mixture of the substrate (final concentration: 50 nM) and ATP (final concentration: 200 &#956;M) were added to reaction wells, and the resulting mixture was kept at room temperature to react for 1 h. Then, an EDTA solution was added to terminate the reaction, and Eu-labeled anti-MBP antibody was added and the resulting mixture was incubated at room temperature for additional 1 h. EnVision was used to read fluorescent signals (excitation wavelength: 320 nM, emission wavelength: 615 nM and 650 nM). 
9018	1	Enzymatic Activity Assay	Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 &#956;L, kinase (5 mU to 10 mU) was incubated with 25 mM Tris (pH 7.5), 0.02 mM EGTA, 0.66 mg/ml of myelin basic protein, 10 mM magnesium acetate, and [33P-ATP] (specific activity of about 500 CPM/pmol, concentration as required). The reaction was initiated by addition of Mg-ATP mix. After incubation for 40 min at room temperature, the reaction was stopped by addition of 5 &#956;l of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
9019	1	In Vitro Pharmacology Assay	In one embodiment, the compounds provided herein were assayed for their ability to inhibit human PDE-10A. In one embodiment, the activities of the compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added.
9020	1	Inhibition Enzyme In Vitro Assay	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.5 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 30 minutes at room temperature before the addition of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776). After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer.
9021	1	The inhibition of HCMV replication by digitoxin	The effect of digitoxin analogs on HCMV replication was tested. HFFs were infected with pp28-luciferase HCMV and treated with the compounds (Table 2, FIG. 2A). EC50, CC50 and selectivity index (SI) calculated as CC50/EC50 were determined for each compound. The L-isomers had an improved anti-HCMV activity compared to the D-isomers. Within each stereoisomer, there was an inverse correlation between the sugar length and anti-HCMV activity; the longer the oligosaccharide chain, the less effective the compound was against HCMV replication. There was also decreased cytotoxicity in HFFs as the sugar length increased; however, the anti-HCMV activity was not a result of cytotoxicity as reflected by the selectivity index (SI). The compounds with the best SI were &#945;-L rhamnose, &#945;-L amicetose and mannose. Virus yield was determined for selected compounds (FIG. 2B), and a dose dependent effect on virus DNA yield was observed.
9022	1	POP Inhibition Assays	POP activity was determined following the method described by Toide et al (Toide K et al., J. Pharmacol. Exp. Ther. 1995; 274:1370-8), using Z-G-P-AMC (N-benzyloxycarbonyl-Gly-Pro-methylcoumarinyl-7-amide) as POP substrate. The reactions were performed in 96-well microtiter plates, which allowed simultaneous monitoring of multiple reactions. For each reaction, activity buffer (134 &#956;l, 100 mM Na/K phosphate buffer, pH 8.0) was pre-incubated for 15 min at 37° C. with hPOP (ranging from 20 to 60 nM, depending on the activity of the hPOP batch) and the corresponding new compound solution (3 &#956;l). A stock solution of new compound was prepared in DMSO (100 mM), and dilutions were prepared from this stock solution with DMSO. Alternatively, the reactions were performed using another activity buffer (141 &#956;L, 100 mM Tris-acetate, 10 mM BSA, 1 mM DTT, pH 7.3), pre-incubating with hPOP (10 nM) and the corresponding new compound solution (3 &#956;l) (Conditions B).After preincubation, Z-G-P-AMC (10 &#956;l, 3 mM in 40% 1,4-dioxane) was added (3 &#956;L 1.5 mM in 40% of 1,4-dioxane, in Conditions B), and the reaction was incubated for 1 hour at 37° C. The reaction was stopped by adding sodium acetate (150 &#956;l, 1 M, pH 4) and the formation of AMC was measured fluorimetrically. The excitation and emission wavelengths were 360/40 and 485/20 nm, respectively.Several concentration points (ranging from 25 pM to 400 &#956;M) were measured for each compound. The inhibitory activity on prolyl oligopeptidase was calculated according to eq 1. For each new compound, the fluorescence in the presence (a) and in the absence of hPOP (b) was measured. The maximum fluorescence (0% inhibitory activity) was obtained from a sample of hPOP in the absence of inhibitory compounds. To estimate the inhibitory potency of the novel compound, activities were plotted against the log concentration of the compound, adjusting to a sigmoid curve using GraphPad Prism software, and the IC50 value, defined as the concentration of compound required to inhibit 50% of POP activity, was determined from the resulting curve.
9023	1	Competitive Radioligand Binding Assay	Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 binding, various concentrations of test compounds from 100 &#956;M to 1 nM were used to displace 8 nM [3H](+)pentazocine from endogenous receptors on Jurkat cell membranes (Ganapathy M E et al. 1991, J Pharmacol. Exp. Ther. 289:251-260). 10 &#956;M Haloperidol was used to define non-specific binding. For Sigma-2 receptors various concentrations of test compounds from 100 &#956;M to 1 nM were used to displace 5 nM [3H] 1,3-Di-(2-tolyl)guanidine from endogenous receptors on membranes from rat cerebral cortex in the presence of 300 nM (+)pentazocine to mask Sigma-1 receptors. (Bowen W D, et al. 1993, Mol. Neuropharmcol 3:117-126). 10 &#956;M Haloperidol was used to define non-specific binding. Reactions were terminated by rapid filtration through Whatman GF/C filters using a Brandel 12R cell harvester followed by two washes with ice-cold buffer. Radioactivity on the dried filter discs was measured using a liquid scintillation analyzer (Tri-Carb 2900TR; PerkinElmer Life and Analytical Sciences). The displacement curves were plotted and the Ki values of the test ligands for the receptor subtypes were determined using GraphPad Prism (GraphPad Software Inc., San Diego, Calif.). The percentage specific binding was determined by dividing the difference between total bound (disintegrations per minute) and nonspecific bound (disintegrations per minute) by the total bound (disintegrations per minute).Affinities for Sigma-1 and Sigma-2 receptors are typically obtained from published studies using cerebral tissue homogenates with [3H](+)pentazocine to measure displacement from Sigma-1 receptors and [3H] 1,3-Di-(2-tolyl)guanidine in the presence of 300 nM (+)pentazocine to measure displacement from Sigma-2 receptors.
9023	2	In Vitro Toxicity	Representative sigma-2 antagonists test compounds do not induce neuronal or glial toxicity with acute or chronic dosing in vitro. The sigma-2 receptor antagonists eliminate or reduce Abeta oligomer-induced changes in membrane trafficking. No significant effect of compounds on membrane trafficking occurs when dosed without oligomers. There is no toxicity relative to neuron number, glial number, nuclear size, nuclear morphology, neurite length, cytoskeletal morphology when tested up to 10 times the EC50 concentration for three days. See, e.g., WO2013/029060, Table 12, which is incorporated herein by reference.In vitro toxicity for Test Compounds is tested in a number of standard assays. Preferrably, testing in vitro tox studies reveals there is no genotoxicity at 10 &#956;M (AMES, micronucleus, bacterial cytotox); HepG2 toxicity at 100-fold above affinity at sigma-2 receptor, in HepG2 tumor cell line; inhibition of CYP 450 enzymes 2D6, 3A4, and 2C19 at 10 &#956;M; and hERG inhibition.
9024	1	Calcium Flux Assay	This assay was used to test compounds for their ability to inhibit TARP &#947;8 dependent AMPA receptor activity. The AMPA receptor is a non-selective cation channel activated by glutamate. lonotropic glutamate receptors normally desensitize too rapidly to allow detectable calcium influx in a FLIPR assay (Strange et al. (2006). Functional characterisation of homomeric ionotropic glutamate receptors GluR1-GluR6 in a fluorescence-based high throughput screening assay. Comb Chem High Throughput Screen 9(2): 147-158). But, this desensitization is incomplete, and a substantial steady-state current remains in the sustained presence of glutamate (Cho et al. (2007). Two families of TARP isoforms that have distinct effects on the kinetic properties of AMPA receptors and synaptic currents. Neuron 55(6): 890-904).An in vitro assay was used to determine the potency of test compounds as inhibitors of the glutamate response of the channel formed by GluA1o-g8. To ensure a 1:1 stoichiometry of GluA1o and g8 subunits in the expressed channel, a fusion of the cDNAs for GRIA1o and CACNG8 was used. Channels expressed with this construct appear to have similar properties to channels formed by co-expression of GRIA1o with an excess of CACNG8 (Shi et al. 2009). A clonal cell line in HEK293 cells stably expressing this construct, with a geneticin selection marker, was generated for use in this assay. Cell expressing the GRIAlo-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2), 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra.The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound.
9025	1	Human D1 Receptor PAM Assay	The PAM activity of the compounds of the present invention may be measured essentially as described in Svensson et al., An Allosteric Potentiator of the Dopamine D1 Receptor Increases Locomotor Activity in Human D1 Knock-in Mices without Casusing Stereotypy or Tachyphylaxis. J. Pharmacol. Exp. Ther. (2017) 360:117-128.More specifically, HEK293 cells that stably express the human D1 receptor (Accession number NM_000794) are generated by gene transduction using the pBABE-bleo retroviral vector and selected with Zeocin (InvivoGen). At approximately 80% confluency, the cells are harvested using TrypLE Express (Gibco), suspended in FBS plus 8% DMSO, and stored in liquid nitrogen. On the day of the assay, cells are thawed and resuspended in STIM buffer (Hanks Balanced Salt Solution supplemented with 0.1% BSA, 20 mM HEPES, 500 &#956;M IBMX, and 100 &#956;M ascorbic acid).Test compound is serially diluted (1:2) with DMSO into assay plates (ProxiPlate-384 Plus, PerkinElmer) using acoustic dispensing (Labcyte) to provide 20 concentrations for full response curves. Test compound (80 nL) is added to 5 &#956;L STIM buffer containing 2000 cells, and 5 &#956;L of a 2× concentration dopamine solution in STIM buffer that will generate an EC20 level response (24 nM in stock solution, or 12 nM final) and a final DMSO concentration in the well of 0.8%. Plates are incubated at room temperature for a total reaction time of 60 min.cAMP production is quantified using HTRF detection (Cisbio) according to the manufacturer&#39;s instructions. Generally, lysis buffer containing anti-cAMP cryptate (5 &#956;L) and D2-conjugate (from HTRF kit) (5 &#956;L) is added to the wells, plates are incubated for an additional 60-90 min, and the time-resolved fluorescence is detected using an EnVision plate reader (PerkinElmer). Fluorescence data is converted to cAMP concentrations using a cAMP standard curve and analyzing using a 4-parameter non-linear logistic equation (Genedata Screener, version 13.0.5-standard). For potentiator mode concentration-response curves, results are expressed as percent of the window between a response at EC20 concentration of dopamine alone (normalized to 0%) and the maximum response to dopamine (defined by response to 5 &#956;M dopamine, final concentration, normalized as 100%).
9027	1	BTKWT Binding Affinity	BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5 nM Recombinant BTKWT kinase, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-His Antibody and 15 nM Kinase Tracer 236 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant BTK kinase and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
9027	2	BTKC481S Binding Affinity	BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 5 nM Recombinant BTKWT kinase, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-His Antibody and 30 nM Kinase Tracer 236 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant BTKC481S kinase was purchased from SignalChem and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
9027	3	EGFR Binding Affinity	EGFR binding affinity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5 nM Recombinant EGFR, varying concentrations of inhibitor, 2 nM LanthaScreen Eu anti-GST Antibody and 3 nM Kinase Tracer 199 was incubated in 1× LanthaScreen Kinase Buffer A for 5 h. Recombinant EGFR and all LanthaScreen components were purchased from Invitrogen. Measurements were performed in a reaction volume of 30 &#956;L using half-area 96-well assay plates. The TR-FRET signal was read on a plate reader with an excitation wavelength of 340 nm and detection wavelengths of 615 and 665 nm. Binding affinity was determined for each compound by measuring TR-FRET signal at various concentrations of compound and plotting the relative fluorescence units against the inhibitor concentration to estimate the IC50 from log [Inhibitor] vs response using the Variable Slope model in Graphpad prism from Graphpad software (SanDiego, Calif.).
9028	1	Enzyme activity inhibition IC50 evaluation experiment of Anaplastic Lymphoma Kinase ALK	Buffer preparation: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.The compound was configured as a concentration gradient in 100% DMSO and added to a 384-well plate with a final DMSO concentration of 2%.1. ALK enzyme (purchased from Carna Biosciences, Inc.) was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, 2 mM DTT, which was transferred to a 384-well plate and incubated with the compound for a certain time.2. The substrate was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, mM MgCl2, adenosine triphosphate under Km, which was added to the 384-well plate to initiate the reaction and reacted at 28° C. for 1 hour.3. The conversion rate was read by Caliper Reader, the calculated inhibition rate is the average of the two tests.The compounds of the present invention were tested for the inhibitory activity of ALK according to the above test. 
9029	1	Fluorescent Determination of PI3K Enzyme Activity	PI3K kinases including p110&#945;/p85&#945; and p110&#947; were purchased from Invitrogen, p110&#948;/p85&#945; and p110&#946;/p85&#945; were from Millipore.Primary screening data and IC50 values were measured using Transcreener KINASE Assay (Bellbrook, Catalog #3003-10K). The Assay can be carried out according to the procedures suggested by the manufacturer. It is a universal, homogenous, high throughput screening (HTS) technology using a far-red, competitive fluorescence polarization immunoassay based on the defection of ADP to monitor the activity of enzymes that catalyze group transfer reactions. Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows: 1) Preparation of 25 uL kinase reaction: the 25 uL kinase reaction was performed by preparing a reaction mixture containing 10 uL kinase buffer (50 mM HEPES, 100 mM NaCl, 1 mM EGTA, 0.03% CHAPS, 3 mM MgCl2, and freshly supplemented 1 mM DTT), and 10 uL 30 uM PIP2 and 10 uM ATP, 5 uL test compound solution (the compound was dissolved in DMSO, the final concentrations of the compound in the reaction mixture were at 1 uM, 0.3 uM, 0.1 uM, 0.037 uM, 0.012 uM, 0.0041 uM, 0.0014 uM and 0.0005 uM, and final concentration of DMSO in the reaction mixture was 2%) or 5 uL control (2% DMSO). The reaction mixture was added into desired wells of a 96-well plate. The plate was sealed and incubated for 80 min at room temperature. 2) Next, 25 uL ADP detection mix was added into each well. The plate was sealed again and incubated for 60 min at room temperature. Then fluorescence polarization was measured by Tecan Infinite F500 Reader.Data was analyzed and IC50 values were generated using the add-in software for Microsoft Excel, Xlfit (version 5.3).
9030	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. Cezanne 1 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM-beta-mercaptoethanol) to the equivalent of 0.005 &#956;l/well and 10 &#956;l of diluted Cezanne 1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
9031	1	FLIPR Assay 	TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium were monitored using a calcium specific fluorescent dye Fluo-4 (MDS Analytical Technologies). BHK/AC9 cells transduced with BacMam virus expressing the human TRPV4 gene at a MOI of 78 were plated in a 384 well poly-D lysine coated plate (15,000 cells/well in 50 &#956;L culture medium containing DMEM/F12 with 15 mM HEPES, 10% FBS, 1% Penicillin-Streptomycin and 1% L-glutamine). Cells were incubated for 24 hours at 37° C. and 5% CO2. Culture medium was then aspirated using a Tecan plate-washer and replaced with 20 &#956;L/well of dye loading buffer: HBSS, 500 &#956;M Brilliant Black (MDS Analytical Technologies), and 2 &#956;M Fluo-4 AM. Dye loaded plates were then incubated in the dark at room temperature for 1 1.5 hours. 10 &#956;L of test compounds diluted in HBSS (with 1.5 mM Calcium Chloride, 1.5 mM Magnesium Chloride and 10 mM HEPES, pH 7.4)+0.01% Chaps was added to each individual well of the plate, incubated for 10 min at room temperature in the dark and then 10 &#956;L of agonist (N ((S)-1-(((R)-1-((2-cyanophenyl)sulfonyl)-3-oxoazepan-4-yl)amino)-4-methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxamide.
9032	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
9034	1	Inhibition Assay	FGFR4:The in vitro activity of FGFR4 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5×(main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR4 catalytic structural domain protein (amino acids 460-802), diluted with the reaction buffer to a 0.5 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 500 nM , and 90 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody diluted with the assay buffer to 0.125 ng/&#956;L, and 31.25 nM streptavidin labeled XL665).
9034	2	Inhibition Assay	FGFR1: The in vitro activity of FGFR1 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5× (main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR1 catalytic structural domain protein (amino acids 308-731) was purified by the company itself, diluted with the reaction buffer to a 0.6 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 400 nM , and 40 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody diluted with the assay buffer to 0.125 ng/&#956;L, and 25 nM streptavidin labeled XL665.
9034	3	Inhibition Assay	FGFR2: The in vitro activity of FGFR2 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5× (main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR2 catalytic structural domain protein (amino acids 400-821) was commercially available from Beijing Sino Biological Inc., diluted with the reaction buffer to a 0.045 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 800 nM, and 50 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody (Cisbio, Catalog number 61T66KLB) diluted with the assay buffer (Cisbio, Catalog number 62SDBRDF) to 0.125 ng/&#956;L, and 50 nM streptavidin labeled XL665.
9034	4	Inhibition Assay	FGFR3: The in vitro activity of FGFR3 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5×(main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR3 catalytic structural domain protein (amino acids 399-806), diluted with the reaction buffer to a 0.3 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 1000 nM, and 90 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody diluted with the assay buffer to 0.125 ng/&#956;L, and 62.5 nM streptavidin labeled XL665.
9035	1	Biochemical Assay 	Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well assay plate DMSOEnzyme Reaction Conditions 50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 2 mM DTT 5 nM LRRK2 134 &#956;M ATP 60 minute reaction time 23° C. reaction temperature 10 &#956;L total reaction volumeDetection Reaction Conditions 1× TR-FRET dilution buffer 10 mM EDTA 2 nM antibody 23° C. reaction temperature 10 &#956;L total reaction volumeTo perform the detection of the reaction, EDTA completely mixed in TR-FRET dilution buffer was added to antibody reagent. 10 &#956;L of detection reagent was added to all wells of each well of the assay plate and the plate was centrifuged to concentrate the mixture at the bottom of the wells. The plate was then incubated at 23° C. for 60 minutes. Plates were read on Perkin Elmer Envision 2104 instrument in TR-FRET mode using a 340 nm excitation filter, 520 nm fluorescence emission filter, and 490 or 495 nm terbium emission filter.
9036	1	Binding Assay 	hERG (human ether go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a blockage of hERG channels by a diverse group of drugs. This side effect is a common reason for drug failure in preclinical safety trials and therefore minimisation of hERG channel blocking activity may be a desirable property for drug candidates.The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the human ether go go-related gene (hERG) using a constitutively expressing CHO cell line on the Nanion Syncropatch 384PE automated patch clamp system.The assay was conducted as follows with all reagents used at room temperature unless otherwise stated.Reagent Preparations Include:1. Internal IC700 solution used to perfuse the underside of chip (in mM), KF 130, KCl 20, MgCl2 1, EGTA 10 and HEPES 10, (all Sigma-Aldrich; pH 7.2-7.3 using 10 M KOH, 320 mOsm) and supplemented with 25 &#9633;M escin.2. External and cell buffer (in mM), NaCl 137, KCl 4, HEPES 10, D-glucose 10, CaCl2 2, MgCl2 1 (pH7.4, NaOH)3. NMDG reference buffer used to establish a stable baseline prior to the addition of test compounds, NaCl 80, KCl 4, CaCl2 2, MgCl2 1, NMDG Cl 60, D-Glucose monohydrate 5, HEPES 10 (pH7.4 NaOH 298 mOsm)4. Seal enhancer used to improve seal quality of cells, NaCl 80, KCl 3, CaCl2 10, HEPES 10, MgCl2 1 (pH7.4 NaOH)
9036	2	Binding Assay	ER: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assays using a LanthaScreen Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, ThermoFisher, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain, residues 307-554 (expressed and purified in-house) were used to measure compound binding. The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compound&#39;s ability to displace the fluorescent ligand, resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation: 1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates. 2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes. 3. Dispense 6 &#956;L of the 1×AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate 4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours. 5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 mM and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.
9037	1	Binding Assay	ER&#945;: The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assays using a LanthaScreen is Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, ThermoFisher, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain, residues 307-554 (expressed and purified in-house) were used to measure compound binding. The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compound&#39;s ability to displace the fluorescent ligand, resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation: 1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates. 2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes. 3. Dispense 6 &#956;L of the 1×AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate 4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours. 5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 &#956;M and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.
9037	2	Binding Assay 	hERG: The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the human ether go go-related gene (hERG) using a constitutively expressing CHO cell line on the Nanion Syncropatch 384PE automated patch clamp system.The assay was conducted as follows with all reagents used at room temperature unless otherwise stated.Reagent Preparations Include:1. Internal "IC700" solution used to perfuse the underside of chip (in mM), KF 130, KCl 20, MgCl2 1, EGTA 10 and HEPES 10, (all Sigma-Aldrich; pH 7.2-7.3 using 10 M KOH, 320 mOsm) and supplemented with 25 &#956;M escin.2. External and cell buffer (in mM), NaCl 137, KCl 4, HEPES 10, D-glucose 10, CaCl2 2, MgCl2 1 (pH7.4, NaOH)3. NMDG "reference" buffer used to establish a stable baseline prior to the addition of test compounds, NaCl 80, KCl 4, CaCl2 2, MgCl2 1, NMDG Cl 60, D-Glucose monohydrate 5, HEPES 10 (pH7.4 NaOH 298 mOsm)4. Seal enhancer used to improve seal quality of cells, NaCl 80, KCl 3, CaCl2 10, HEPES 10, MgCl2 1 (pH7.4 NaOH)
9038	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Twccn 20. The phosphorylatcd reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm.
9039	1	Binding Assay	&#945;2&#948;-1: Binding Assay to Human &#945;2&#948;-1 Subunit of Cav2.2 Calcium Channel.Human &#945;2&#948;-1 enriched membranes (2.5 &#956;g) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH 10 mM, pH 7.4.NSB (non specific binding) was measured by adding 10 &#956;M pregabalin. After 60 min incubation at 27° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, pH 7.4.Filter plates were dried at 60° C. for 1 hour and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.Readings were performed in a Trilux 1450 Microbeta radioactive counter (Perkin Elmer).
9039	2	Binding Assay	NET: Human norepinephrine transporter (NET) enriched membranes (5 &#956;g) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer containing 50 mM Tris-HCl, 120 mM NaCl, 5 mM KCl, pH 7.4.NSB (non specific binding) was measured by adding 1 &#956;M. After 60 min incubation at 4° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, 0.9% NaCl, pH 7.4.Filter plates were dried at 60° C. for 1 hour and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.
9033	1	Inhibitory Activity Assay	Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z&#8242;-LYTE Method as briefly described in the following. 4× Test compounds are dissolved in 1% DMSO. Kinase reaction mixture consists of 0.09-0.34 ng B-Raf (or 0.002-0.006 ng BRAF V600E), 1× inactive MAP2K1 (MEK1)/inactive MAPK1 (ERK2), and 2 &#956;M Ser/Thr 03 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. ATP solutions are diluted to a 4×ATP working concentration in Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). Reaction started by 30-second shaking of mixture consisting of 2.5 &#956;L 4× test compound, 2.5 &#956;L 2× kinase reaction mixture and 2.5 &#956;L 4×ATP Solution on Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #3676). Then the mixture was incubated for 60-minute at room temperature for the kinase reaction, followed by addition of 5 &#956;L of a 1:1024 dilution of development reagent A and 30-second plate shake. The mixture was then incubated for another 60-minute at room temperature for development reaction. Fluorescence was read by plate reader.
9033	2	Inhibition Assay	Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z'-LYTE Method as described above with the following modification. The 2x KDR (VEGFR2)/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% B RIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.5-11.7 ng KDR (VEGFR2) and 2 &#956;M Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:256 dilution of Development Reagent B is added.
9040	1	Recombinant IDH1 Enzyme Assays	All reactions were performed in standard enzyme reaction buffer (150 mM NaCl, 20 mM Tris-Cl, pH 7.5, 10% glycerol, 5 mM MgCl2 and 0.03% (w/v) bovine serum albumin). For determination of kinetic parameters, sufficient enzyme was added to give a linear reaction for 1 to 5 seconds. Reaction progress was monitored by observation of the reduction state of the cofactor at 340 nm in an SFM-400 stopped-flow spectrophotometer (BioLogic, Knoxville, Tenn.). Enzymatic constants were determined using curve fitting algorithms to standard kinetic models with the Sigmaplot software package (Systat Software, San Jose, Calif.). It is operated at 1×Km of NADPH.
9040	2	IDH1 R132H Assay	Assays were conducted in a volume of 76 ul assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a standard 384-well plate: To 25 ul of substrate mix (8 uM NADPH, 2 mM aKG), 1 ul of test compound was added in DMSO. The plate was centrifuged briefly, and then 25 ul of enzyme mix was added (0.2 ug/ml ICDH1 R132H) followed by a brief centrifugation and shake at 100 RPM. The reaction was incubated for 50 minutes at room temperature, then 25 ul of detection mix (30 uM resazurin, 36 ug/ml) was added and the mixture further incubated for 5 minutes at room temperature. The conversion of resazurin to resorufin was detected by fluorescent spectroscopy at Ex544 Em590 c/o 590. It is operated at 10×Km of NADPH.
9040	3	IDH1 R132H Assay	Assays were conducted in a volume of 76 ul assay buffer (150 mM NaCl, 10 mM MgCl2, 20 mM Tris pH 7.5, 0.03% bovine serum albumin) as follows in a standard 384-well plate: To 25 ul of substrate mix (8 uM NADPH, 2 mM aKG), 1 ul of test compound was added in DMSO. The plate was centrifuged briefly, and then 25 ul of enzyme mix was added (0.2 ug/ml ICDH1 R132H) followed by a brief centrifugation and shake at 100 RPM. The reaction was incubated for 50 minutes at room temperature, then 25 ul of detection mix (30 uM resazurin, 36 ug/ml) was added and the mixture further incubated for 5 minutes at room temperature. The conversion of resazurin to resorufin was detected by fluorescent spectroscopy at Ex544 Em590 c/o 590. It is operated at 100×Km of NADPH.
9041	1	Beta-AR binding assay	&#946;1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988). In brief, male Sprague-Dawley rats weighing 250-350 g were decapitated and their brains quickly removed. The cerebral cortices were dissected on ice, weighed and promptly transferred to a 50 ml test tube containing approximately 30 ml of 50 mM Tris-HCl, pH 7.8 (at room temperature). The tissues were homogenized with a polytron and centrifuged at 20,000×g for 12 min at 4° C. The pellet was washed again in the same manner and resuspended at a concentration of 20 mg (original wet wt) per 1 ml in the assay buffer (20 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, 0.1 mM ascorbic acid at pH 7.8). To block the &#946;2 sites present in the cortical membrane preparation, 30 nM ICI 118-551 was also added to the assay buffer. To wells containing 100 &#956;l of the test drug and 100 &#956;l of [3H]CGP-12177 (1.4 nM final concentration), 0.8 ml of tissue homogenate was added. After 2 hours at 25° C., the incubation was terminated by rapid filtration. Nonspecific binding was determined by 10 &#956;M propranolol.
9041	2	Beta-2 AR binding assay	HEK 293 cells stability transfected with cDNA encoding human &#946;2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) were grown in Dulbecco&#39;s Modified Eagle Medium (DMEM) containing 10% fetal bovine serum (FBS), 0.05% penicillin-streptomycin, and 400 &#956;g/ml G418 as previously described (Pauwels et al., Biochem. Pharmacol. 42: 1683-1689, 1991). The cells were scraped from the 150×25 mm plates and centrifuged at 500×g for 5 minutes. The pellet was homogenized in 50 mM Tris-HCl, pH 7.7, with a Polytron, centrifuged at 27,000×g, and resuspended in the same buffer. The latter process was repeated, and the pellet was resuspended in 25 mM Tris-HCl containing 120 mM NaCl, 5.4 mM KCl, 1.8 mM CaCl2, 0.8 mM MgCl2, and 5 mM glucose, pH 7.4. The binding assays contained 0.3 nM [3H]CGP-12177 in a volume of 1.0 ml. Nonspecific binding was determined by 1 &#956;M propranolol.According to the above-described methods, binding affinities, expressed as Ki values, were determined using membranes obtained from a HEK 293 cell line stably transfected with cDNA encoding human &#946;2-AR (Pauwels et al., Biochem. Pharmacol. 42: 1683-1689, 1991) with [3H]CGP-12177 as the marker ligand. The resulting IC50 values and Hill coefficients were calculated for each test compound using GraphPad Prism software and Ki values were calculated using the Cheng-Prusoff transformation (Biochem Pharmacol 22: 3099-3108, 1973):K i=IC50/(1+L/K d)+&#8195;&#8195;Eqn. 1.Where: L is the concentration of [3H]CGP-12177 and Kd is the binding affinity of the [3H]CGP-12177. Each test compounds was assayed three times. 
9042	1	competition displacement assays	Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain. See Tam, J., Vemuri, V. K., Liu, J., Batkai, S., Mukhopadhyay, B., Godlewski, G., Osei-Hyiaman, D., Ohnuma, S., Ambudkar, S. V., Pickel, J., et al., J. Clin. Invest. 2010, 120, 2953-2966. All data were in triplicates with Ki values determined from three independent experiments.
9044	1	In Vitro CBP Inhibition	The CBP-inhibitory activity of the compounds described herein was determined by calculating the IC50. More specifically, CBP inhibitor activity was assayed as follows: CBP was cloned and expressed in E. coli as His-tag protein and purified by Nickel affinity and gel-filtration chromatography. The protein was further characterized as a single band with the correct molecular weight by SDS-PAGE. CBP binding and inhibition is assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Perkin Elmer). In a 384-well ProxiPlate CBP (50 nM final) was combined with peptide (20 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 min incubation at room temp, Alpha-streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After 2 hr of equilibration, plates were read on an Envision instrument and the IC50 calculated using a four parameter non-linear curve fit.
9044	2	In Vitro Enzyme Inhibition Assay-BRD4 Inhibition	Inhibition of BRD4 was determined as described previously. See, e.g., U.S. Pat. No. 9,034,900.
9045	1	Assay for Enzymatic Activity (IC50) of Compounds	A testing platform for kinase activity of JAK2 was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to three-fold gradient dilutions with 100% DMSO with a starting concentration of 1 mM (11 dilutions in total). 4 &#956;L of each dilution was added to 96 &#956;L of reaction buffer (50 mM HEPES, pH 7.4, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 0.005% BAS, 2 mM DTT) and mixed homogeneously. 2.5 &#956;L of the resulting liquid was then added to a 384-well plate (OptiPlate-384, available from PerkinElmer), and then 5 &#956;L of JAK2 kinase (available from Cama) was added. The mixture was mixed homogeneously by centrifugation. Then 2.5 &#956;L of a mixture of ATP (the final concentration is the corresponding Km value) and TK peptide (HTRF KinEASE -TK, available from Cisbio) was added to initiate the reaction (the total reaction volume is 10 &#956;L). The 384-well plate was placed in an incubator and the reaction was allowed to conduct for 120 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (available from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, available from Cisbio). The plate was incubated in the incubator for 1 hr, and then the fluorescence values were read on Envision (available from PerkinElmer). The excitation wavelength was 320 nm, and the emission wavelengths for detection were 665 nm and 620 nm. The enzymatic activity was represented by a ratio of the two readout at the two emission wavelengths. The enzymatic activity for each compound was tested at 11 concentrations, and IC50 values of the compounds were obtained by calculating the data using GraFit6.0 software (Erithacus Software).
9046	1	Biochemical Potency	The enzymatic activity of TDP2 was measured with a SUMO hTDP2cat fluorescence-based biochemical assay. To a black 384-well plate, 10 &#956;L of compound solution (in reaction buffer, concentration 2-fold higher than the tested concentration) was added, followed by addition of 5 &#956;L of SUMO hTDP2cat enzyme (12.5 pM, final concentration of 3.13 pM). After a pre-incubation period of 10 minutes, 5 &#956;L of substrate 5&#8242;-(6-FAM-NHS)(5&#8242;-tyrosine)GATCT(3&#8242;-BHQ-1)-3&#8242; (1 &#956;M, final concentration of 0.25 &#956;M) was added, and the reaction was allowed to proceed at 25° C. for 60 minutes. The fluorescence was measured, and the data was processed as described previously for 14M_zTDP2.
9047	1	Omnia Assay Protocol 	Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 27° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 30-90 seconds for 60 minutes at &#955;ex360/&#955;cm485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). 
9048	1	Scintillation Proximity Assay	PI3K-gamma:The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3Kgamma assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 2 uM ATP, 0.5 uCi [gamma-33P] ATP, 13 nM PI3Kgamma. Reactions were incubated for 120 min and terminated by the addition of 40 uL SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
9048	2	Scintillation Proximity Assay	PI3Kdelta: The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3Kdelta assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 2 uM ATP, 0.5 uCi [gamma-33P] ATP, 3.4 nM PI3Kdelta. Reactions were incubated for 120 min and terminated by the addition of 40 L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
9049	1	Scintillation Proximity Assay (SPA)	HIF-2a: The total assay volume was about 100 uL in the following configuration: 2 uL compound in 100% DMSO, 88 uL buffer with protein and probe and 10 uL of SPA beads. The compound was diluted in a master plate consisting of a 10-point dose response with a 3-fold compound dilution from 100 nM to 5 nM. Assays were run on a 96-well plate in which one column, designated as the high signal control, contained DMSO with no compound and another column, designated as the low signal control, contained no protein. Prior to plating out of compound, a buffer solution, consisting of 25 mM TRIS pH 7.5 (Sigma), 150 mM NaCl (Sigma), 15% Glycerol (Sigma), 0.15% BSA (Sigma), 0.001% Tween-20 (Sigma), 150 nM Compound 183 and 100 nM HIF-2 ± HIS TAG-PASB Domain, was made and allowed to equilibrate for 30 minutes. Compounds that were to be tested were then plated in to a 96-well white clear bottom Isoplate-96 SPA plate (Perkin Elmer). To the compounds, 88 uL of the buffer solution was then added, the plate was covered with a plastic cover and then aluminum foil, placed onto a shaker and equilibrated for 1 hour. After equilibration, 10 uL of a 2 mg/mL solution of YSi Cu His tagged SPA beads (Perkin Elmer) were then added to each well of the plate, covered and equilibrated for another 2 hours. The plates were then removed from the shaker, placed into a 1450 LSC and luminescence counter MicroBeta Trilux (Perkin Elmer) to measure the extent of probe displacement. 
9049	2	ELISA Assay	VEGF: Four hours later, serial dilutions of 10x compound stocks were made in growth medium from 500xDMSO stocks, and 20 uL of those 10x stocks were added to each well to make final concentrations as follows (uL): 20, 6.67, 2.22, 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, and 0. Each concentration had duplicated wells. About 20 hours later, medium was removed by suction and each well was supplied with 180 uL of growth medium. About 20 uL freshly-made 10x compound stocks were added to each well. About 24 hours later, cell culture medium was removed for the determination of VEGFA concentration using an ELISA kit purchased from R&D systems by following the manufacturer&#39;s suggested method. 
9050	1	In Vitro GIRK Thallium Flux (2.5 minute) Assay	Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (GIRK) channels_ENREF_54 were grown in Growth Media containing 45% DMEM, 45% F-12, 10% FBS, 20 mM HEPES, 2 mM L-glutamine, antibiotic/antimycotic, non-essential amino acids, 700 &#956;g/ml G418, and 0.6 &#956;g/ml puromycin at 37° C. in the presence of 5% CO2. All cell culture reagents were purchased from Invitrogen Corp. (Carlsbad, Calif.) unless otherwise noted. Compound activity at the group II (mGlu2 and mGlu3) mGlus was assessed using thallium flux through GIRK channels. Briefly, cells were plated into 384-well, black-walled, clear-bottomed poly-D-lysine-coated plates at a density of 15,000 cells/20 &#956;L/well in DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 100 units/mL penicillin/streptomycin (assay media). Plated cells were incubated overnight at 37° C. in the presence of 5% CO2. The following day, the medium was exchanged from the cells to assay buffer [Hanks&#39; balanced salt solution (Invitrogen) containing 20 mM HEPES, pH 7.3] using an ELX405 microplate washer (BioTek), leaving 20 &#956;L/well, followed by the addition of 20 &#956;L/well FluoZin2-AM (330 nM final concentration) indicator dye (Invitrogen; prepared as a stock in DMSO and mixed in a 1:1 ratio with Pluronic acid F-127) in assay buffer. Cells were incubated for 1 h at room temperature, and the dye exchanged to assay buffer using an ELX405, leaving 20 &#956;L/well. Test compounds were diluted to 2 times their final desired concentration in assay buffer (0.3% DMSO final concentration). Agonists were diluted in thallium buffer [125 mM sodium bicarbonate (added fresh the morning of the experiment), 1 mM magnesium sulfate, 1.8 mM calcium sulfate, 5 mM glucose, 12 mM thallium sulfate, and 10 mM HEPES, pH 7.3] at 5 times the final concentration to be assayed. Cell plates and compound plates were loaded onto a kinetic imaging plate reader (FDSS 6000 or 7000; Hamamatsu Corporation, Bridgewater, N.J.). Appropriate baseline readings were taken (10 images at 1 Hz; excitation, 470±20 nm; emission, 540±30 nm) and test compounds were added in a 20 &#956;L volume and incubated for 2.5 min as indicated before the addition of 10 &#956;L of thallium buffer with or without agonist. After the addition of agonist, data were collected for approximately an additional 2.5 min. Data were analyzed using Excel (Microsoft Corp, Redmond, Wash.). The slope of the fluorescence increase beginning 5 s after thallium/agonist addition and ending 15 s after thallium/agonist addition was calculated, corrected to vehicle and maximal agonist control slope values, and plotted in using either XLfit (ID Business Solutions Ltd) or Prism software (GraphPad Software, San Diego, Calif.) to generate concentration-response curves. Potencies were calculated from fits using a four-point parameter logistic equation. For concentration-response curve experiments, compounds were serially diluted 1:3 into 10 point concentration response curves and were transferred to daughter plates using an Echo acoustic plate reformatter (Labcyte, Sunnyvale, Calif.).
9050	2	In Vitro GIRK Thallium Flux (60 minute) Assay	Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (GIRK) channels_ENREF_54 were grown in Growth Media containing 45% DMEM, 45% F-12, 10% FBS, 20 mM HEPES, 2 mM L-glutamine, antibiotic/antimycotic, non-essential amino acids, 700 &#956;g/ml G418, and 0.6 &#956;g/ml puromycin at 37° C. in the presence of 5% CO2. All cell culture reagents were purchased from Invitrogen Corp. (Carlsbad, Calif.) unless otherwise noted. Compound activity at the group II (mGlu2 and mGlu3) mGlus was assessed using thallium flux through GIRK channels. Briefly, cells were plated into 384-well, black-walled, clear-bottomed poly-D-lysine-coated plates at a density of 15,000 cells/20 &#956;L/well in DMEM containing 10% dialyzed FBS, 20 mM HEPES, and 100 units/mL penicillin/streptomycin (assay media). Plated cells were incubated overnight at 37° C. in the presence of 5% CO2. The following day, the medium was exchanged from the cells to assay buffer [Hanks&#39; balanced salt solution (Invitrogen) containing 20 mM HEPES, pH 7.3] using an ELX405 microplate washer (BioTek), leaving 20 &#956;L/well, followed by the addition of 20 &#956;L/well FluoZin2-AM (330 nM final concentration) indicator dye (Invitrogen; prepared as a stock in DMSO and mixed in a 1:1 ratio with Pluronic acid F-127) in assay buffer. Cells were incubated for 1 h at room temperature, and the dye exchanged to assay buffer using an ELX405, leaving 20 &#956;L/well. Test compounds were diluted to 2 times their final desired concentration in assay buffer (0.3% DMSO final concentration). Agonists were diluted in thallium buffer [125 mM sodium bicarbonate (added fresh the morning of the experiment), 1 mM magnesium sulfate, 1.8 mM calcium sulfate, 5 mM glucose, 12 mM thallium sulfate, and 10 mM HEPES, pH 7.3] at 5 times the final concentration to be assayed. Cell plates and compound plates were loaded onto a kinetic imaging plate reader (FDSS 6000 or 7000; Hamamatsu Corporation, Bridgewater, N.J.). Appropriate baseline readings were taken (10 images at 1 Hz; excitation, 470±20 nm; emission, 540±30 nm) and test compounds were added in a 20 &#956;L volume and incubated for 60 min as indicated before the addition of 10 &#956;L of thallium buffer with or without agonist. After the addition of agonist, data were collected for approximately an additional 2.5 min. Data were analyzed using Excel (Microsoft Corp, Redmond, Wash.). The slope of the fluorescence increase beginning 5 s after thallium/agonist addition and ending 15 s after thallium/agonist addition was calculated, corrected to vehicle and maximal agonist control slope values, and plotted in using either XLfit (ID Business Solutions Ltd) or Prism software (GraphPad Software, San Diego, Calif.) to generate concentration-response curves. Potencies were calculated from fits using a four-point parameter logistic equation. For concentration-response curve experiments, compounds were serially diluted 1:3 into 10 point concentration response curves and were transferred to daughter plates using an Echo acoustic plate reformatter (Labcyte, Sunnyvale, Calif.).
9051	1	cAMP Assay	Four days prior to the assay, 5,000 Chinese hamster ovary cells (CHO-K1, ATCC # CCL-61) stably expressing the human SSTR2 are plated in each well of a 96-well tissue culture-treated plate in Ham&#39;s F12 growth media (ThermoFisher #10-080-CM) supplemented with 10% donor bovine serum (Gemini Bio-Products #100-506), 100 U/mL penicillin; 100 ug/mL streptomycin; 2 mM L-glutamine (Gemini Bio-Products #400-110) and 0.2 mg/mL hygromycin B (GoldBio #31282-04-9). The cells are cultured at 37° C., 5% CO2 and 95% humidity. On the day of the assay, the media is aspirated and the cells are treated with 50 &#956;L of 1.6 &#956;M NKH477 (Sigma # N3290) plus various dilutions of compounds of the invention in assay buffer [1× Hank&#39;s Balanced Salt Solution (ThermoFisher # SH3058802), 0.5 mM HEPES pH 7.4, 0.1% bovine serum albumin, 0.2 mM 3-Isobutyl-1-methylxanthine (IBMX, VWR #200002-790)]. The cells are incubated for 20 minutes at 37° C. (the final concentration of the compounds of the invention are typically 0-10,000 nM). The cells are treated with 50 &#956;L of lysis buffer (HRTF cAMP kit, Cisbio). The lysate is transferred to 384-well plates and cAMP detection and visualization antibodies are added and incubated for 1-24 hours at room temperature. The time-resolved fluorescent signal is read with a Tecan M1000Pro multiplate reader.
9052	1	HTRF KinEASE Assay	ASK1 kinase was from Thermofisher (Catalogue # PV4011), ATP was from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was from Perkin Elmer (Catalogue #6005560). HTRF KinEASE-STK is a generic method for measuring serine/threonine kinase activities using time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 uM) and a fixed amount of ATP, peptide substrates. Test compound, 1 uM STK3 peptide substrate, 5 nM of ASK1 kinase are incubated with kinase reaction buffer, containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes, then 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. IC50 was determined by Xlfit 5.3.
9053	1	FLIPR Tetra Assay	IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes. at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 20 minutes at room temperature prior to adding agonist. Following this incubation, EC80 concentration of cinnamaldehyde (75 uM for human TRPA1 and 45 uM for rat TRPA1) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.
9054	1	In Vitro Activity Assay	The in vitro activity of the compounds described herein in inhibiting TAK1, HCK, and other kinases were obtained using an Invitrogen Select Screening assay as known in the art. 
9055	1	High-Throughput Screening Assay	The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transformation into DH5a. The plasmids were extracted and determined by enzyme digestion, and then transformed into DH10Bac. Bacmid/PARP is determined by PCR and sequencing. TNI was transfected, the viruses were collected, and cells were lysed. PARP-1 protein was purified by affinity chromatography and determined by Western blotting. A plate was coated by substrate histone, NAD+ and DNA, as well as expressed PARP-1 enzyme, was placed into 96-well plate reaction system. Various reaction conditions were optimized and ultimately determined. The product PAR was reacted with PAR monoclonal antibody, and then a secondary antibody was added. T
9056	1	The determination of IC50 of the inhibiting effect to kinase ALK	96-well plates was coated under 37° C. with coating buffer (125 &#956;l/well) overnight, and coating buffer was polypeptide substrate [Poly (4:1 Glu, Tyr) Peptide, available from SignalChem] containing 2.5 &#956;g/well ALK kinase in PBS. Then, each well was washed with 200 &#956;l of buffer (PBS containing 0.05% Tween 80), and placed at 37° C. for at least 2 hours to dryness.Serial diluted test compounds in different concentrations (compounds prepared in any one of Examples 1 to 16, dissolved in DMSO) were added to each well in 5 &#956;l/well, followed by addition of kinase buffer (25 mM Hepes, pH 7.5, 5 mM MnCl2, 5 mM MgCl2), 0.3 mM ATP, and 100 ng/well recombinant human ALK (Abnova Corporation), to a total volume of 100 &#956;l each well. After kept at 30° C. for 15 minutes, the reaction mixture was removed, and washed with 200 &#956;l of wash buffer (PBS containing 0.05% Tween 80) for 5 times.100 &#956;l/well of mouse anti-phosphotyrosine monoclonal antibody (clone 4G10, purchased from EMD Millipore Corporation) were used in the detection of phosphorylated peptide substrate. Monoclonal antibody was diluted at 1:500 with PBS containing 4% bovine serum albumin. After incubated at room temperature for 30 minutes, the antibody solution was removed, and each well was washed with 200 &#956;l of wash buffer (PBS containing 0.05% Tween 80) for 5 times.100 &#956;l/well of secondary antibody (anti-mouse IgG) was added. The secondary antibody was diluted at 1:1000 with PBS containing 4% bovine serum albumin, incubated for 30 minutes at room temperature; and the wells were washed again as said above.100 &#956;l/well of TMB substrate solution was used for color development, and the same volume of 0.18 M H2SO4 was added to terminate the color development. Finally, the absorbance at 450 nm or 490 nm was read, and the IC50 was calculated.
9057	1	[35S]-GTPgamma-delta binding assay (inverse antagonist)	Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;&#948; binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For inverse agonist mode: Add 20 &#956;L testing compound (10 points, 3-fold dilution from 1 &#956;M), 20 &#956;L buffer, 140 &#956;L membrane solution (GDP 10&#956;M, membrane protein 20 &#956;g/well) to the assay plate, and preincubate at room temperature for 30 min. Add 20 &#956;L [35S]-GTP&#947;&#948; (final 200 pM) and incubate at room temperature for 60 min. For antagonist mode: Add 20 &#956;L agonist (R-alpha-methylhistamine, final concentration 1 &#956;M), 20 &#956;L testing compound (final top concentration 1 &#956;M, 3-fold dilution, 10 points), 20 &#956;L [35S]-GTP&#947;&#948; (final 200 pM), 140 &#956;L membrane solution (total 200 &#956;L, GDP 10&#956;M, membrane protein 20 &#956;g/well) to the assay plate. Incubate at room temperature for 60 min. Filter the assay plate on GF/C (non-PEI coated) plate to stop the assay. Dry GF/C plate for 1 h. Add 50 &#956;L scintillation fluid and count on the MicroBeta.Data Analysis: The CPM values were calculated into % of inhibition with the following formula:For inverse agonist mode: % of inhibition=(DMSO control CPM&#8722;Compound CPM)/(DMSO control CPM&#8722;GTP control CPM)×100.
9057	2	[35S]-GTPgamma-delta binding assay (antagonist)	Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;&#948; binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For inverse agonist mode: Add 20 &#956;L testing compound (10 points, 3-fold dilution from 1 &#956;M), 20 &#956;L buffer, 140 &#956;L membrane solution (GDP 10&#956;M, membrane protein 20 &#956;g/well) to the assay plate, and preincubate at room temperature for 30 min. Add 20 &#956;L [35S]-GTP&#947;&#948; (final 200 pM) and incubate at room temperature for 60 min. For antagonist mode: Add 20 &#956;L agonist (R-alpha-methylhistamine, final concentration 1 &#956;M), 20 &#956;L testing compound (final top concentration 1 &#956;M, 3-fold dilution, 10 points), 20 &#956;L [35S]-GTP&#947;&#948; (final 200 pM), 140 &#956;L membrane solution (total 200 &#956;L, GDP 10&#956;M, membrane protein 20 &#956;g/well) to the assay plate. Incubate at room temperature for 60 min. Filter the assay plate on GF/C (non-PEI coated) plate to stop the assay. Dry GF/C plate for 1 h. Add 50 &#956;L scintillation fluid and count on the MicroBeta.Data Analysis: The CPM values were calculated into % of inhibition with the following formula:For antagonist mode: % of inhibition=(R-alpha-methyl-histamine control CPM&#8722;Compound CPM)/(R-alpha-methyl-histamine control CPM&#8722;DMSO control CPM)×100.
9058	1	In Vitro Binding Assay for DDR1	An in vitro binding competition assay was performed to evaluate the effect of the compounds of present invention on DDR1 protein.Binding Competition Assay:This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carries a GST-tag that can be recognized by an Eu-labeled anti-GST antibody. A tracer compound binding to the active site is labeled with a dye so that a FRET donor acceptor pair can be formed. Excitation energy absorbed by the Europium complex (350 nm flash light or pulsed laser) is transferred to a suitable fluorescent dye, if it is in close proximity. Compounds binding competitively with the tracer molecule will displace the bound tracer molecules and reduce the FRET signal in a dose dependent manner. Due to the long lifetime of the Eu excited state, the emission of the donor and the acceptor can be measured in time-gated mode such that most of the intrinsic fluorescence contributions have already decayed. This results in high sensitivity, excellent reproducibility and high data quality. This sensitive detection method enables protein concentrations below 20 nM.Protein, tracer and labeled antibody were obtained from commercial sources. The assay was performed in 384 low volume microtiter-plates with a final volume of 15 al. Dose response curves were generated from 16 compound dilutions in DMSO as solvent compound dilutions, a solution containing protein and labeled antibody, and a solution containing the tracer which is added in the last step. The fluorescence of donor and acceptor were then measured after one hour incubation at room temperature. Every assay run was quality-controlled with dose response curves for two reference compounds.
9059	1	In Vitro Activity Test for mGluR5	Experimental material: HEK293/mGluR5 cell line, Fluo-8 calcium ion fluorescent dye, positive control MPEP, CTEPExperimental instrument: FLIPR Tetra real-time fluorescence imaging analysis systemExperimental method: HDB Fluo-8 calcium fluorescence detection methodExperimental principle: HDB Fluo-8 calcium ion fluorescence detection method is a fast, simple and reliable fluorescence detection method of intracellular calcium concentration changes. The Fluo 8-AM fluorescent dye is an acetyl methyl ester derivative of Fluo 8 which can easily penetrate the cell membrane into the cell by culture. The fluorescent dye into the cell will be hydrolyzed by intracellular esterase, the resulting Fluo 8 cannot easily pass through the lipid bimolecular membrane as a polar molecule, and will retain in the cell, and combine with calcium (Ca2+) to produce fluoresces.Cells expressing GPCR receptor protein (mGluR5) were first calibrated with a calcium ion sensitive fluorescent probe and then stimulated with the compound. After stimulation, the activation of the receptor lead to the calcium ion mobilization, and the fluorescent probe captures the calcium ion to induce the fluorescence signal. The signal can be read by a fluorescent plate reader. The fluorescent plate reader contains a sampling head for compound addition, thus enabling the change of the fluorescence value of the compound be read in real time. If the selected compound can activate mGluR5, the calcium flow reaction can be greatly increased; conversely, if the selected compound is able to antagonize mGluR5, the calcium flow reaction can be greatly reduced.
9060	1	Omnia Assay Protocol for Potency Assessment Against FGFR 4 Enzyme	A 10× stock solution of FGFR4-WT (PR4380C or P3054), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 10, was prepared as described below. Alternatively, a 10× stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 10, was prepared as described below. A solution of 1.4×ATP (AS001A) and 5× Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM P3-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 &#956;L volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EVO100. A second addition of 10 &#956;l of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 &#956;L of 1.4×ATP. The reactions were monitored every 71 seconds for 240 minutes at &#955;ex360/&#955;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to &#8722;60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
9061	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
9062	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 jag/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9063	1	Kinase Binding Assays	Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., A small molecule-kinase interaction map for clinical kinase inhibitors, Nat. Biotechnol. 2005, 23(3):329-36). For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
9064	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9065	1	Bioassay Evaluation	Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS), satisfied purity criteria (&#8805;95% LC/MC, ELS).
9066	1	Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9067	1	HEK293-Blue-hTLR-7 Cells Assay	A stable HEK293-Blue-hTLR-7 cell line was purchased from InvivoGen (Cat. #: hkb-ht1r7, San Diego, Calif., USA). These cells were designed for studying the stimulation of human TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene was placed under the control of the IFN-&#946;&#9251;minimal promoter fused to five NF-&#954;B and AP-1-binding sites. The SEAP was induced by activating NF-&#954;B and AP-1 via stimulating HEK-Blue hTLR7 cells with TLR7 ligands. Therefore the reporter expression was regulated by the NF-&#954;B promoter upon stimulation of human TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using QUANTI-Blue kit (Cat. #: rep-qb1, Invivogen, San Diego, Calif., USA) at a wavelength of 640 nm, a detection medium that turns purple or blue in the presence of alkaline phosphatase.HEK293-Blue-hTLR7 cells were incubated at a density of 250,000 450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/L glucose, 50 U/mL penicillin, 50 mg/mL streptomycin, 100 mg/mL Normocin, 2 mM L-glutamine, 10% (v/v) heat-inactivated fetal bovine serum for 24 h. Then the HEK293-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hours. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 2 hours and the absorbance was read at 620 655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002).
9068	1	Binding Assay	The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Freestyle HEK293 cells. The binding assay was run in a 50 mM sodium acetate buffer, pH 4.5 containing 50 mM NaCl and 0.03% Tween-20 in white clear bottom 384 plates (Corning #3653). 10 nM (final concentration) radioligand ([3H]-N-((1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N-((R)-1-phenyl-ethyl)-isophthalamide) (TRQ11569 purchased from GE Healthcare) was mixed with test compound at a given concentration, 6 nM (final concentration) human BACE1 and 25 g Streptavidin coated PVT core SPA beads (RPNQ0007, GE Healthcare Life Sciences) in a total volume of 40 l. Several concentrations of each test compound were tested in the assay for IC50 determination. The plates were incubated for one hour at room temperature and counted in a Wallac Trilux counter. Total and non-specific binding were determined using buffer and 1 M (final concentration) of the high affinity BACE1 reference inhibitor (S)-6-[3-chloro-5-(5-prop-1-ynyl-pyridin-3-yl)-thiophen-2-yl]-2-imino-3,6-dimethyl-tetrahydro-pyrimidin-4-one, respectively. For each test compound, a IC50 value (the concentration mediating 50% inhibition of the specific binding of the radioligand) was determined from concentration-response curve and used to calculate the Ki from the equation Ki=IC50/(I+L/Kd), where L and Kd are the final concentration of the radioligand used in the assay and the dissociation constant of the radioligand, respectively.
9069	1	RORa, b, and g Binding Inhibitors	His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gamma (hRORg) are used for receptor-ligand competition binding assays to determine Ki values. Typical procedures are provided below.Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL glycerol (Fischer #56-81-5) and 40 mL DMSO (reagent grade). The final wells contain 20 &#956;g/mL aprotinin and 20 &#956;g/mL leupeptin and 10 &#956;M Pefabloc. Typically, receptor binding assays include radio-labeled ligands, such as 7 nM [3H]-25-hydroxycholesterol for alpha binding, 20 nM [3H]-3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for beta binding, and 6 nM [3H]-25-hydroxycholesterol for gamma binding, and 0.5 &#956;g RORa receptor, 0.03 &#956;g RORb receptor, or 0.13 &#956;g RORg receptor per well. Assays are typically run in 96-well format. Competing test compounds are added at various concentrations ranging from about 0.4 nM to 25 &#956;M. Non-specific binding is determined in the presence of 250 nM 25-hydroxycholesterol for RORa and RORg binding, 250 nM 3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for RORb binding. The sample, label and receptor solutions are combined in a 96 well assay plate (Costar 3632) and incubated overnight at room temperature, then 25 &#956;l beads (Amersham YSi (2-5 micron) copper His-tag Spa Beads, #RPNQ0096) for a final bead concentration of 1 mg/well is added to each reaction. Plates are mixed for 30 minutes on an orbital shaker at room temperature. After an incubation of 4 hours, plates are read in a Wallac MICROBETA counter.The data are used to calculate an estimated IC50 using a four parameter logistic fit. The Kd for [3H]-25-hydroxycholesterol for RORa and RORg, and [3H]-3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for RORb binding, is determined by saturation binding. The IC50 values for compounds are converted to Ki using the Cheng-Prushoff equation.
9070	1	Inhibition Assay	Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The compound to be tested was dissolved in DMSO at an initial concentration 50-fold greater than its final concentration in the cuvette. 10 &#956;l of the stock solution was diluted in 90 &#956;l of the assay buffer that comprises 0.1M sodium phosphate buffer containing 130 mM NaCl, pH 7.4, to which is added ovalbumin (OVA) at a concentration of 1 mg/ml. Solutions of arginase I and II were prepared in 100 mM sodium phosphate buffer, pH 7.4 containing 1 mg/ml of OVA to give an arginase stock solution at a final concentration of 100 ng/ml.
9071	1	Competitive Displacement Assay	Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 different concentrations of the compound in the presence of 0.25 nM [3H]DAMGO, 0.2 nM [3H]naltrindole or 1 nM [3H]U69,593 in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO and [3H]U69,593. Because of a slower association of [3H]naltrindole with the receptor, a 3 h incubation was used with this radioligand. Samples incubated with [3H]naltrindole also contained 10 mM MgCl2 and 0.5 mM phenylmethylsulfonyl fluoride. Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. For [3H]naltrindole and [3H]U69,593 binding, the filters were soaked in 0.1% polyethylenimine for at least 60 min before use.
9072	1	FL-LSD1 LC-MS Assay	Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of twelve concentrations. Then the test compounds at each concentration (100 nL of each) were transferred into a 384-well Perkin Elmer ProxiPlate 384 plus plates by Mosquito Solutions (5 &#956;L) of 0.8 nM, the full-length LSD1 and 0.5 &#956;M FAD in reaction buffer (40 mM Tris-HCl, 0.01% Triton-×100.10 mM KCl, 1 mM DTT) were added into the wells and then incubated with the test compound for 30 min. A 5 &#956;L solution of 1 &#956;M of the peptide substrate H3K4me1 (histone H3[1-21]-biotin) in reaction buffer was added to each initiate reaction. The final components in the reaction solution include 0.4 nM FL-LSD1, 0.25 &#956;M FAD, and 0.5 &#956;M H3K4me1 peptide with varying concentration of the compounds. A positive control consisted of the enzyme, 0.25 &#956;M FAD and 0.5 &#956;M substrate in the absence of the test compound, and a negative control consisted of 0.5 &#956;M substrate only. Each reaction was incubated at room temperature for 60 min, and then stopped by the addition of 3 &#956;L quench solution (2.5% TFA with 320 nM d4-SAH). The reaction mixture was centrifuged (Eppendorf centrifuge 5810, Rotor A-4-62) for 1 min at 2000 rpm and read on an API 4000 triple quadrupole mass spec with Turbulon Spray (Applied Biosystem) coupled with Prominence UFLC (Shimadzu).
9073	1	Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min., the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to control reactions with no enzyme (for 100% inhibition) and controls with no inhibitor (for 0% inhibition).
9074	1	Inhibition Activity (ELISA Method) Assay	In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for this experiment. Specifically, an enzymatic reaction was conducted by mixing 0.4 nM of BTK enzyme, 40 &#956;M of biotin-S1 substrate peptide and 50 &#956;M of ATP in a reaction buffer (15 mM Tris-HCl (pH 7.5), 20 mM MgCl2, 2 mM MnCl2, 2 mM DTT, 0.1 mg/ml BSA). The mixture was treated with the test compounds at predetermined concentrations and allowed to react for 20 minutes at 30° C. Upon completion of the reaction, the activities of the test compounds were measured by ELISA method. The absorbance value of an untreated sample was used as a control (100% control)
9075	1	Kinase Assay	Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1 Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated and phosphorylated forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9075	2	Fluorescence Resonance Energy Transfer (FRET) Assay	Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1 Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated and phosphorylated forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9076	1	Scintillation Proximity Assay 	1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMSO for each test compound in a 384 well plate leaving columns 6 and 18 for DMSO controls.3. Dispense 10 nL of compound from the dilution plate into reaction plates (Corning, 384-well polystyrene NBS, Cat #3673).Part B. Reagent PreparationPrepare the following solutions:1. 1× Base Buffer, 50 mM Tris-HCl, pH 8, 2 mM MgCl2: Per 1 L of base buffer, combine 1 M Tris-HCl, pH 8 (50 mL), 1 M MgCl2 (2 mL), and distilled water (948 mL).2. 1× Assay Buffer: Per 10 mL of 1× Assay Buffer, combine 1× Base Buffer (9.96 mL), 1 M DTT (40 uL), and 10% Tween-20 (1 uL) to provide a final concentration of 50 mM Tris-HCl, pH 8, 2 mM MgCl2, 4 mM DTT, 0.001% Tween-20.3. 2× Enzyme Solution: Per 10 mL of 2× Enzyme Solution, combine 1× Assay Buffer (9.99 mL) and 3.24 uM EZH2 5 member complex (6.17 uL) to provide a final enzyme concentration of 1 nM.4. SPA Bead Solution: Per 1 mL of SPA Bead Solution, combine Streptavidin coated SPA beads (PerkinElmer, Cat # RPNQ0261, 40 mg) and 1× Assay Buffer (1 mL) to provide a working concentration of 40 mg/mL.5. 2× Substrate Solution: Per 10 mL of 2× Substrate Solution, combine 40 mg/mL SPA Bead Solution (375 uL), 1 mM biotinylated histone H3K27 peptide (200 uL), 12.5 uM 3H-SAM (240 uL; 1 mCi/mL), 1 mM cold SAM (57 uL), and 1× Assay Buffer (9.13 mL) to provide a final concentration of 0.75 mg/mL SPA Bead Solution, 10 uM biotinylated histone H3K27 peptide, 0.15 uM 3H-SAM ( 12 uCi/mL 3H-SAM), and 2.85 uM cold SAM.6. 2.67× Quench Solution: Per 10 mL of 2.67× Quench Solution, combine 1× Assay Buffer (9.73 mL) and 10 mM cold SAM (267 uL) to provide a final concentration of 100 uM cold SAM.Part C. Assay Reaction in 384-well Grenier Bio-One PlatesCompound Addition1. Stamp 10 nL/well of 1000× Compound to test wells (as noted above).2. Stamp 10 nL/well of 100% DMSO to columns 6 & 18 (high and low controls, respectively).Assay1. Dispense 5 uL/well of 1× Assay Buffer to column 18 (low control reactions).2. Dispense 5 uL/well of 2× Substrate Solution to columns 1-24 (note: substrate solution should be mixed to ensure homogeneous bead suspension before dispensing into matrix reservoir).3. Dispense 5 uL/well of 2× Enzyme Solution to columns 1-17, 19-24.4. Incubate the reaction for 60 min at room temperature.Quench1. Dispense 6 uL/well of the 2.67× Quench Solution to columns 1-24.2. Seal assay plates and spin for 1 min at 500 rpm.3. Dark adapt plates in the ViewLux instrument for 15-60 min.
9077	1	HTRF FRET Assay	BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swedish mutant peptide substrate (QSY7-APPswe-Eu): QSY7-EISEVNLDAEFC-Europium-amide.A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
9077	2	Time-Resolved Endpoint Proteolysis Assay 	BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are preincubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values. 
9078	1	Fluorescent Polarization Binding Assay	Fluorescent polarization binding assay was performed in polystyrene low volume 384-well black plate, at Room Temperature (RT) in a final volume of 10.1 &#956;l/well using 10 nM of GST-hRIPK1 (8-327) enzyme and 5 nM of fluorescent-labeled ligand (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino) propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2&#8243;,3&#8243; ]indolizino[8&#8243;,7&#8243;: 5&#8242;,6&#8242;]pyrano[3&#8242;,2&#8242;:3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate.Test Compounds were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final). In each well of a 384-well Plate were dispensed 0.1 &#956;L of compound solution (or DMSO for controls) followed by 5 &#956;L of GST-hRIPK1 (8-327) at twice the final concentrations in assay buffer (50 mM HEPES pH 7.5, 10 mM NaCl, 50 mM MgCl2, 0.02% CHAPS, 0.5 mM DTT and 0.01% Pluronic F127). For negative control the enzyme addition was replaced by assay buffer only.After addition of 5 &#956;L of fluorescent-labeled ligand at twice the final concentrations in assay buffer, the plate was incubated at RT for 30 min. At the end, the binding was measured as FP value with the Envision (PerkinElmer) plate reader using filter for an excitation &#955;=531 nm FP and an emission &#955;=595 nm FP (S & P-pol).
9079	1	Fluorescence Polarization assay 	The compounds were determined using the Molecular Devices IMAP PDE Fluorescence Polarization assay using recombinant human PDE-10 enzyme expressed in a baculoviral system. Briefly, 10 &#956;L of a compound (0.2 nM-20 &#956;M) was added to either a 96-well half area black plate or a 384-well black plate along with 10 &#956;L of Fluorescein-labeled cAMP/cGMP substrate as per manufacturer&#39;s instructions and 10 &#956;L of PDE enzyme (activity 0.1 U). Following a 40-minute incubation at 37° C., 60 &#956;L of IMAP binding reagent was added. The plate was then read on a Perkin Elmer Victor (480-535 nm).
9080	1	Enzymatic Inhibition Assay	Inhibitors were evaluated in triplicate in eight-point dilutions (3-fold dilutions) during the enzymatic reactions. TgCDPK1 enzymatic inhibition was determined with a coupled luciferase assay (Kinaseglo ). 2.1 nM TgCDPK1 and 20 &#956;M BioSyntide-2 (American Peptide Company, Inc. Sunnyvale, Calif.)) were incubated in 25 &#956;L of buffer containing 1 mM EGTA (pH 7.2), 10 mM MgCl2, 20 mM HEPES, pH 7.5 (KOH), 0.1% BSA, and 2 mM CaCl2. The reaction was initiated with the addition of ATP at a 10 &#956;M final concentration. After incubating at 30° C. for 90 min., changes in ATP concentration were determined by adding Kinaseglo luciferase reagent (Promega, Madison, Wis.) and measuring luminescence with a MicroBeta2 multi-label plate reader (Perkin Elmer, Waltham, Mass.). Results were converted to percent inhibition, and IC50 values were calculated using nonlinear regression analysis in GraphPad Prism.
9081	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).
9082	1	Competitive Inhibition Assay	A competitive inhibition binding assay is performed using membrane homogenates prepared from HEK-293 cells that express recombinant hMC4-R, hMC3-R, or hMC5-R, and from B-16 mouse melanoma cells (containing endogenous MC1-R). In some instances, HEK-293 cells that express recombinant hMC1-R were employed. In the examples that follow, all MC3-R, MC4-R and MC5-R values are for human recombinant receptors. MC1-R values are for B-16 mouse melanoma cells, unless the heading is hMC1-R, in which case the value is for human recombinant MC1-R. Assays were performed in 96 well GF/B Millipore multiscreen filtration plates (MAFB NOB10) pre-coated with 0.5% bovine serum albumin (Fraction V). Membrane homogenates were incubated with 0.2 nM (for hMC4-R) 0.4 nM (for MC3-R and MC5-R) or 0.1 nM (for mouse B16 MC1-R or hMC1-R) [I125]-NDP-&#945;-MSH (Perkin Elmer) and increasing concentrations of test peptides of the present invention in buffer containing 25 mM HEPES buffer (pH 7.5) with 100 mM NaCl, 2 mM CaCl2, 2 mM MgCl2, 0.3 mM 1,10-phenanthroline, and 0.2% bovine serum albumin. After incubation for 60 minutes at 37° C., the assay mixture was filtered and the membranes washed three times with ice-cold buffer. Filters were dried and counted in a gamma counter for bound radioactivity. Non-specific binding was measured by inhibition of binding of [I125]-NDP-&#945;-MSH in the presence of 1 &#956;M NDP-&#945;-MSH. Maximal specific binding (100%) was defined as the difference in radioactivity (cpm) bound to cell membranes in the absence and presence of 1 &#956;M NDP-&#945;-MSH. Radioactivity (cpm) obtained in the presence of test compounds was normalized with respect to 100% specific binding to determine the percent inhibition of [I125]-NDP-&#945;-MSH binding. 
9083	1	Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader.
9084	1	In Vitro Activity Assay	The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening assay as known in the art.
9085	1	Kinase Assay	VEGFR2: Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. 
9085	2	Kinase Assay	PDGFR&#946;: Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS+0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. 
9085	3	KinaseGlo Assay	PKR: Commercially available recombinant human GST-PKR (1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Mass., USA). 
9086	1	Biological Assay	Test Example 1: Biological Activity of the Compounds of the Present Invention onThe Inhibition of Factor XIa Detected by Absorption Photometry1. Experimental MaterialsEnzyme: Coagulation Factor XIa protease (Abcam, Art. No ab62411)Substrate: Coagulation Factor XIa specific substrate (HYPHEN1310 med, Art. No. Biophen cs-21(66))Buffer: 100 mM tris-HCl, 200 mM NaCl, 0.02% Tween20, pH 7.42. Experimental Procedure20 mM of test compound dissolved in 100% DMSO was diluted to 200, 20, 2, 0.2, 0.02, 0.002 &#956;M with 100% DMSO; 1 &#956;l of the compound was added to each well in a 384-well plate, blank and control wells were replaced with DMSO. The plate was centrifuged to remove the compound to the bottom. 10 &#956;l (2.5 &#956;g/ml) of FXIa enzyme solution was added to each well, and 10 &#956;l of buffer was added to the blank well. The plate was centrifuged to remove the enzyme solution to the bottom.Finally, 10 &#956;l of 2 mM substrate were added to each well, and the plate was centrifuged to remove the substrate solution to the bottom.The plate was incubated for 10 minutes at 37° C.; and then the absorbance was measured at 405 nm. The absorbance was curve-fitted by graphpad 
9087	1	TR-FRET Assay	Compound dilution series were prepared in DMSO via an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-volume assay plates (Perkin Elmer Proxiplate 384 Plus#6008280) using a Labcyte Echo in conjunction with Labcyte Access and Thermo Multidrop CombinL robotics. Compounds were then suspended in eight microliters (&#956;L) of assay buffer (20 mM Sodium Phosphate, pH 6.0, 50 mM NaCl, 1 mM Ethylenediaminetetraacetic acid disodium salt dihydrate, 0.01% Triton X-100, 1 mM DL-Dithiothreitol) containing His-tagged bromodomain, Europium-conjugated anti-His antibody (Invitrogen PV5596) and Alexa-647-conjugated probe.The final concentration of 1× assay mixture contained 2% DMSO, 12 nM His tagged BRD4 (BDI_K57-E168) and 100 nM probe or 4 nM His tagged BRD4 (BDII_E352-M457) and 30 nM probe, and 1 nM Europium-conjugated anti-His-tag antibody, and compound concentrations in the range of: 49.02 &#956;M-0.61 nM or 0.98 &#956;M-0.15 nM.After a one-hour equilibration at room temperature, TR-FRET ratios were determined using an Envision multilabel plate reader (Ex 340, Em 495/520).
9089	1	Receptor Activity Assay	In vitro GnRHr protein activity was tested by the following methods.This assay was used to determine the inhibition effect of the present compound on the activity of human GnRHr protein expressed by Human GnRHr/CHO stably transfected cell lines.1. Experimental Materials and Equipments1) Fluo-4 NW Calcium Assay Kits (F36206, Invitrogen)2) DMEM/F12 (SH30023.01B, Thermo)3) G418 (11811-031, Invitrogen)4) FlexStation3 Microplate Reader2. Experimental ProtocolA mammalian expression vector containing the human GnRHr gene was transferred into CHO cells by adding Lipofectamine LTX reagent containing Plus. Antibiotics were added the next day for screening to pick out the monoclonal cell lines.The Human GnRHr/CHO stably transfected cell lines were inoculated in 96-well plates with an inoculation density of 25,000 cells/well. The culture medium was removed the next day, and loading buffer containing Fluo-4 dye was added to the plate (100 &#956;L/well) and incubated for 30 minutes at 37° C. The plate was moved to room temperature and equilibrated for 10 minutes. Each compound was diluted with DMSO to seven concentration gradients of 100 &#956;M, 10 &#956;M, 1 &#956;M, 0.1 &#956;M, 0.01 &#956;M, 0.001 &#956;M, 0.0001 &#956;M. Then, 1 &#956;l of each gradient was added to each well and incubated for 10 minutes at room temperature. After automated addition of 50 &#956;L of GnRH polypeptide stimulant solution, the value was immediately detected at 494/516 nM by a microplate reader (flexstation 3). IC50 values of the compounds were calculated by software from different fluorescence signals at various corresponding concentrations.
9090	1	Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates using a Platemate Plus outfitted with a 384-channel head . DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of CARM1, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the CARM1 enzyme was added by Multidrop Combi. The compounds were allowed to incubate with CARM1 for 30 min at room temperature, then a cocktail (10 ul) containing 3H-SAM and peptide was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: CARM1 was 0.25 nM, 3H-SAM was 30 nM, peptide was 250 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 300 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed once with 0.1% Tween20 in a Biotek ELx405 plate washer. 
9088	1	Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01%Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5×final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 M MR121 substrate in DMSO), diluted to 2-5×final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9091	1	Enzyme-Linked Immunosorbent Assay ELISA	Plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4 ° C. The wells were then blocked with PBS containing 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37 ° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the samples were diluted to 1:5 in dilution medium in the ELISA plates. Human PD-1 and biotin 0.3 g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37 ° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was added with PBS containing 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37 ° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37 ° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37 ° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer. 
9092	1	In Vitro Isomerase Inhibition Assay	Isomerase inhibition reactions were performed essentially as described (Stecher et al., J Biol. Chem. 274:8577-85 (1999).
9093	1	Inhibition TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Flouresence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease : 10 nM Eu-streptavidin (Perkin-Elmer Catalog AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog # STB-K02). After 1 h, the reaction mixture from above was dilated 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore), 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 1.78 (Invitrogen, Catalog # PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.
9094	1	Bruton&#39;s Tyrosine Kinase (BTK) Inhibition TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Flouresence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease : 10 nM Eu-streptavidin (Perkin-Elmer Catalog AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog # STB-K02). After 1 h, the reaction mixture from above was dilated 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore), 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 1.78 (Invitrogen, Catalog # PV5593,) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.After the incubation the plates were read on a BMG Pheraster Fluorescent plate reader (or equivalent) and used to measure the emission energy from the europium donor fluorophore (620 nm emission) and the FRET (665 nm emission). The negative control well values were averaged to obtain the mean minimum. The positive no inhibitor control wells were averaged to obtain the mean maximum. Percent of maximal FRET was calculated using following equation:% max FRET=100×[(FSRcmpd&#8722;FSRmean min)/(FSRmean max&#8722;FSRmean min)]where FSR=FRET Signal ratio, % Max FRET carves were plotted in Activity Base (Excel) and the, IC50 (%), hill slope, z&#8242; and % CV were determined. The mean IC50 and standard deviation will be derived from duplicate curves (singlet inhibition curves from two independent dilutions) using Microsoft Excel. 
9095	1	Inhibition Assay	Seven point five &#956;L per well of human TrkA (PV3144, Lifetechnologies, final concentration: 1 nmol/L) suspended in the assay buffer (100 mmol/L 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), 10 mmol/L magnecium chloride, 0.003 vol % Brij-35, 0.004 vol % Tween20 and 1 mmol/L dithiothreitol (DTT)) was applied in a 384 well plate and the plate was pre-incubated for 15 min at room temperature with 0.4 &#956;L of each compound (final concentration: 200 &#956;mol/L-1 pmol/L) dissolved in DMSO. Then, fluorescent substrate (FL-peptide 27, 760424, PerkinElmer, final concentration: 1.5 &#956;mol/L) and ATP (final concentration 500 &#956;mol/L) dissolved in the assay buffer was added in each well. After the incubation of 120 min at 37° C., fifteen &#956;L of termination buffer (100 mmol/L HEPES, 40 mmol/L ethylenediaminetetraacetic acid (EDTA), 10 mmol/L magnecium chloride, 0.003 vol % Brij-35, 0.004 vol % Tween20, 1 mmol/L DTT and 0.16 vol % Coating Reagent 3) was added in each well to stop the enzyme reaction. Fluorescent intensities (FI) of phosphorylated and non-phosphorylated fluorescent substrates were measured by LabChip EZReader II (Caliper LifeSciences, Inc.), and conversion ratio (CR) was calculated by the following formula-1. The CR in the well applied with DMSO alone was used as a negative control and the CR in the well without applying TrkA was used as a positive control. 
9096	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 M final.Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
9097	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay-10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). 
9098	1	Proteasome-Activity Inhibitory Assay	Inhibition of the chymotrypsin-like (CT-L), peptidylglutamyl peptide hydrolyzing activity (PGPH), and trypsin-like (T-L) activities of the 20S proteasome in enzymatic assays were determined using succinyl-Leu-Leu-Val-Tyr-AMC (10 &#956;mol/L), Z-Leu-Leu-Glu-AMC (10 &#956;mol/L) and Boc-Leu-Arg-Arg-AMC (50 &#956;mol/L), respectively, as the substrates with purified human 20S proteasome at 2, 4 and 8 nmol/L, respectively, in the assay buffer containing 25 mM HEPES (pH7.5), 0.5 mM EDTA, 0.002% sodium dodecyl sulfate (SDS) and 0.05% NP-40. Stock solutions of the 20S proteasome inhibitors disclosed herein were prepared in dimethyl sulfoxide (DMSO) and the final DMSO concentration in the assay mixture was 1%. Reaction was conducted at room temperature for one hour. Proteasome activity was measured based on detection of the fluorophore 7-Amino-4-methylcoumarin (AMC) after cleavage from the substrates with a plate-based spectrofluorometer. IC50 is a quantitative measure indicating the concentration of an inhibitor at which the catalytic activity of the 20S proteasome is inhibited by 50%.
9099	1	In Vitro Assays 	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
9100	1	Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 uL. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 uM PIP2, 20 uM ATP, 0.2 uCi [gamma-33P]ATP, 4 nM PI3Kdelta. Reactions were incubated for 210 min and terminated by the addition of 40 uL SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 uM ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer).
9101	1	Fluorescence Polarization (FP) Assay	Measuring compound ligand binding to CRBN-DDB1 was carried out using an established sensitive and quantitative in vitro fluorescence polarization (FP) based binding assay. (See, I. J. Enyedy et al, J. Med. Chem., 44: 313-4324 [2001]). Compounds were dispensed from serially diluted DMSO stock into black 384-well compatible fluorescence polarization plates using an Echo acoustic dispenser. Compound binding to CRBN-DDB1 was measured by displacement of either a (&#8722;)-Thalidomide-Alexa Fluor or Pomalidomide-fluorescein conjugated probe dye. A 20 &#956;L mixture containing 400 nM CRBN-DDB1 and 5 nM probe dye in 50 mM Hepes, pH 7.4, 200 mM NaCl, 1% DMSO and 0.1% pluronic acid-127 acid was added to wells containing compound and incubated at room temperature for 60 min. Matching control wells excluding CRBN-DDB1 were used to correct for background fluorescence. Plates were read on an Envision plate reader with appropriate FP filter sets. The corrected S (perpendicular) and P (parallel) values were used to calculate fluorescence polarization (FP) with the following equation: FP=1000x(S&#8722;GxP)/(S+GxP). 
9102	1	Inhibitory Activity Assay	1. Preparation of RORgamma Buffer Solution10 mL of DTT and 100 mL buffer solution were gently mixed together and ready to use.2. Preparation of Compound SolutionThe concentration of compound solution started from 7.5 mM to 0.25 mM, which was diluted by every 3 folds from 7.5 nM with 10 concentrations totally.3. Preparation of Protein Mixturea. 40 nM B-RORgamma LBD solution and 20 nM SA-APC solution were gently mixed together. The reaction mixture was incubated for 15 minutes at room temperature. Then 400 nM Biotin was added to the described above mixture. After gently mixed together, the resulting mixture was incubated for 10 minutes at room temperature.b. 40 nM Bioin-SRC1 solution and 10 nM SA-eu solution were gently mixed together, and the reaction mixture was incubated for 15 minutes at room temperature. Then 200 nM Biotin was added to the described above mixture. After gently mixed together, the resulting mixture was incubated for 10 minutes at room temperature.c. The described above two pre-mixes were gently mixed together with a ratio of 1:1, and the resulting mixture was incubated for 5 minutes at room temperature.
9103	1	Activity Inhibition Assay	To measure the DRAK1 and DRAK2 activity, the substrate MRCL3 peptide and ATP were mixed with the enzymes. After an appropriate period of time, the reaction product ADP was quantitatively analyzed. The buffer solution A was used to make a 3x substrate solution of 3x concentration so that the final concentrations of ATP and MRCL3 peptides were 1 uM, respectively, and 2.5 ul of each solution was dispensed into Optiplate 384 (perkin-elmer) microplate. The final concentrations of ATP and MRCL3 peptide were made to be 1 uM respectively by using buffer A, followed by preparing a 3x substrate solution. The prepared substrate solution was distributed in Optiplate 384 (Perkin-Elmer) microplate (2.5 ul/well). Then, the compounds of Examples 1~39 and the compounds of Comparative Examples 1-6, whose concentrations were tripled by the final concentration were distributed thereto (2.5 ul/well). Lastly, DRAK1 or DRAK2 enzyme solution, properly diluted by using buffer A, was added thereto (2.5 ul/well). Centrifugation was performed at 800 rpm for 1 minute, and then enzyme reaction was induced at 30 C.
9104	1	Inhibitory Activity Assay	The in-vitro kinase assay was performed using the HTRF kinEASE TK kit available from Cisbio. The operation steps are indicated in the instructions of the kit. This method was used to detect the inhibitory effect of the compound to be tested on the activity of ALK enzymes in vitro, including wild-type ALK (Cat.PV3867, Invitrogen), ALK L1196M (Cat. PV6168, Life technologies), and ALK F1174L (Cat. PV6160, Life technologies). The specific operation steps were as follows.(1) First, a 2.5% DMSO solution was prepared with 1× kinase buffer previously formulated (where a too high concentration of DMSO had influence on the reaction, and the final concentration of DMSO was controlled to 1%), and then the compound to be tested was diluted with the 2.5% DMSO solution corresponding to the enzyme. The compound had a screening concentration of 100 nM, 10 nM and 1 nM. In addition to the control wells, 4 &#956;L of the diluted compound solution to be tested was added to the reaction wells, and 4 &#956;L of the 2.5% DMSO solution corresponding to the ALK enzyme previously formulated was added to the control wells.(2) 2 &#956;L of a TK-biotin substrate solution previously formulated in a substrate concentration corresponding to the ALK enzyme was added to all reaction wells.(3) 2 &#956;L of a previously prepared enzyme solution of corresponding concentration was added to all the reaction wells except the negative wells, and 2 &#956;L of the 1× kinase buffer corresponding to the enzyme was added to the negative wells to make up the volume. The plate was sealed with a membrane, and incubated for 10 min at room temperature after mixing uniformly, such that the compounds were bond to the enzyme fully.(4) 2 &#956;L of an ATP solution in a concentration corresponding to the ALK enzyme was added to all the reaction wells to initiate the kinase reaction, where the enzyme reaction time by ALK was 60 minutes.(5) An ALK test solution was prepared 5 minutes before the end of the kinase reaction. Streptavidin-XL665 and TK antibody europium cryptate (1:100) solutions for assay having a concentration corresponding to the enzyme were prepared using the detection buffer in the kit.(6) After the completion of the kinase reaction, 5 &#956;l of diluted Streptavidin-XL665 was added to all the reaction wells respectively, and mixed uniformly, and then the diluted TK antibody europium cryptate solution for assay was added immediately.(7) The plate was sealed, mixed uniformly and allowed to react at room temperature for 1 h. The fluorescence signal (excitation at 320 nm, and emission at 665 nm and 615 nm) was detected using the ENVISION instrument (Perkinelmer). The inhibition rate for each well was calculated from the values of the fully active wells and the background signal wells. The values of replicated wells were averaged, and the half-maximal inhibitory activity (IC50) of each compound to be tested was fitted with a professional drawing analysis software PRISM 5.0.
9105	1	Enzymatic Activity Assay	Enzymatic activity assay was conducted using EZH2(Y641F) TR-FRET assay KIT from Cisbio company on compounds that were shown to be active in primary screening, wherein GSK126 (purchased from Shanghai Haoyuan Chemexpress Co., Ltd.) and EPZ6438 (CAS No. 1403254-99-8, purchased from Shanghai Haoyuan Chemexpress Co., Ltd.) were used as control.2 &#956;L of PRC2 protein complex that contained 14 ng protein (comprising EZH2(Y641F), EED protein, SUZ12 protein, RbAp48 protein and AEBP2 protein, purchased from BPS Bioscience, USA, catalog #51017) and 4 &#956;L of 10 mM of 3-fold gradient diluted compounds of the invention were mixed respectively, and incubated for 5 minutes in a 384-well shallow plate at room temperature. Then the reaction substrates, 2 &#956;L of 2.5 &#956;M Histone3K27ME1 (purchased from AnaSpec, USA, catalog #65366) and 2 &#956;L 75 &#956;M adenosylmethionine (SAM) (purchased from sigma, USA, catalog # A7007), were mixed and incubated at room temperature for 4 hours. Subsequently 5 &#956;L of the assay antibody, H3K27me3-Eu(K)Ab (purchased from cisbio bioassays, USA, #61 KC3KAE) and 5 &#956;L Streptavidin-XL665 (purchased from cisbio bioassays, USA, #610SAXLA), were added and incubated for 1 hour at room temperature. The resultant was read on Spectramax i3 (Molecular Devices, USA) which was set in a TR-FRET reading mode, to obtain absorption data at wavelength 665 nm and 620 nm.
9106	1	In Vitro Affinity Assay	To evaluate the direct interaction of the CXCR2 or CXCR1 receptor with &#946;-arrestin 2, a test of &#946;-arrestin 2 recruitment for CXCR2 or CXCR1 based on complementation of the &#946;-galactosidase enzyme as established by DiscoveRx Corporation was used. Stimulation of these two cell lines with CXCL8 (10 nM) induces the recruitment of &#946;-arrestin 2, as indicated by a significant increase in the induction factor. All the CXCR2 antagonists are tested in a dose-dependent manner and the concentration corresponding to 50% inhibition of the response is determined (IC50=concentration of half-inhibition).
9107	2	Biochemical Assay	The &kappa; uL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM dithiothreitol, 200 nM peptide substrate, 1 uM S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37&deg; C. Reaction progress was measured using the methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 uL detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody.
9107	1	Revised Biochemical Assay	Full-length PRMT5 enzyme (NCBI Reference sequence NP_006100.2) was co-expressed with Hiss-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatography (&#147;the enzyme&#148;).The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener&#153; EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode.
9108	1	Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).
9109	1	Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;
9109	2	Inhibition Assay	Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can be catalyzed by active hCA II via a zinc-hydroxide mechanism. The nitrophenolate in the products can be ionized to generate a bright yellow anion with high absorbance at 348 to 400 nm, as reported in the literature (Armstrong et al., J. Biol. Chem. 1966, 241, 5137-5149). OD340 nm was chosen for detecting hCA II substrate conversion.Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5;Enzyme solution: hCA-II (human, full length) stock solution (1.0 mg/mL in 20 mM HEPES, 50 mM NaCl, pH 7.4), diluted to 2133× final concentration in assay buffer;4-NPA substrate solution: 4-NPA substrate stock solution (250 mM in DMSO, stored at &#8722;20° C.), diluted to 50× final concentration in deionized water.Test compounds (10 mM stock in DMSO, 100 &#956;L) were obtained in 96-well sample plates (Corning Costar #3655) and diluted to 0.5 mM. Column-wise serial dilutions were made by transferring 20 &#956;L compound solutions to the next column, from column 3 up to 22. After this, 1.2 &#956;L were transferred to 384 well assay plates (Corning Costar #3701). Then 30 &#956;L of 16 nM hCA II solution was added (8 nM final concentration), mixed five times. 30 &#956;L of 4-NPA substrate solution was added (2.5 mM final concentration), mixed five times. Absorbance at 340 nm was then measured immediately as time zero. The assay plates were incubated at room temperature for 1 hour and then measured as time 1 hour (Perkin Elmer EnVision 2103; Filter: Photometric 340; Light intensity 60%; Number of flashes: 10). IC50 values and Ki values were calculated from these readouts.
9110	1	Enzymatic Syk Kinase Activity	2.5 &#956;L of 10% DMSO or compound in 10% DMSO was added to the wells in a 96 well V-bottom plate. Optimized concentration of in-house Syk enzyme (different batches of Syk (356-635) kinase domain) were used at optimized concentrations) ranging from 0.035 ng to 7.5 ng/reaction diluted in assay buffer was added to a total volume of 12.5 &#956;L). Compound and protein were incubated for 30 minutes at room temperature on a plate shaker. Ten &#956;L of a substrate mix containing 100 &#956;M ATP (0.25 &#956;L), &#947;-P32-ATP (0.1 &#956;L; 10 &#956;Ci/&#956;L), pG4T (0.25 &#956;L; 10 mg/mL) and 1× assay buffer (9.4 &#956;L) was added to all the wells. Samples were incubated at 30° C. for 10 minutes after mixing. The reaction was stopped by the addition of 8N HCl (13 &#956;L) containing 100 mM ATP. Thirty &#956;L of sample was transferred to the center of a 2×2 cm2 Whatman P81 chromatography paper. After allowing the sample to dry for one minute, the assay squares were washed 3 times for 5 minutes each in ortho-phosphoric acid (0.5%) and once in acetone. Assay squares were dried for 15 minutes in a 30° C. oven and transferred to 96 well optiplate. Microscint-O reagent (100 &#956;L, Perkin Elmer) was added to each well, the plate was sealed with Topseal -A microplates and incubated for 10 minutes at room temperature at very low speed on rocker and the plate was read in the Topcount NXL instrument.
9110	2	Enzymatic JAK2 Kinase Activity	Two &#956;L of 10% DMSO in blank, substrate control and positive control wells and 2 &#956;L of test compound in test wells was added. Thirteen &#956;L of assay buffer in blank and substrate control wells and 13 &#956;L of Enzyme buffer mix in positive and test wells was added. The reaction mixture was incubated for 30 minutes at RT on a plate shaker. Ultra Light-pGT substrate (5 &#956;L) [poly Glu-Tyr (4:1) labeled with U Light dye, a tyrosine kinase substrate] and ATP mix was added to all wells. The reaction plate was incubated for 60 minutes at RT on a plate shaker. The reaction was stopped by adding 40 mM EDTA (10 &#956;L) in buffer. Ten &#956;L of antibody was added to all the wells. The plate was read in a Wallac 1420 Multilabel Counter Victor 3 instrument (Ex: 340 nm Em: 615 & 665 nm) 
9111	1	Inhibitory Activity Assay (Lab A)	In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. 
9111	2	Inhibitory Activity Assay (Lab B)	In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. Rhesus PDE2A3 was amplified from rhesus macaque brain cDNA (Biochain Institute, Hayward, Calif.) using primers based on human PDE2A sequence (accession NM_002599.3) where the forward primer containing a Kozak consensus was 5&#8242;-gccaccatggggcaggcatgtggc-3&#8242; and the reverse primer was 5&#8242;-tcactcagcatcaaggctgca-3&#8242;. Amplification with Easy-A High-Fidelity PCR cloning enzyme (Stratagene, La Jolla, Calif.) was 95° C. for 2 minutes followed by thirty three cycles of 95° C. for 40 seconds, 52° C. for 30 seconds, and 72° C. for 2 minutes 48 seconds. Final extension was 72° C. for 7 minutes. The PCR product was TA cloned into pcDNA3.3-TOPO (Invitrogen, Carlsbad, Calif.) according to standard protocol. A consensus sequence was developed from multiple clones and then deposited into GenBank (EU812167). AD293 cells (Stratagene, La Jolla, Calif.) with 70-80% confluency were transiently transfected with rhesus PDE2A3/pcDNA3.3-TOPO using Lipofectamine 2000 according to manufacturer specifications (Invitrogen, Carlsbad, Calif.). Cells were harvested 48 hours post-transfection and lysed by sonication (setting 3, 10×5 sec pulses) in a buffer containing 20 mM HEPES pH 7.4, 1 mM EDTA and Complete Protease Inhibitor Cocktail Tablets (Roche, Indianapolis, Ind.). Lysate was collected by centrifugation at 75,000×g for 20 minutes at 4° C. and supernatant utilized for evaluation of PDE2 activity. 
9112	1	fluorescent peptide assay	The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 &#956;M substrate at 37oC with continuous shaking. All the analyses were carried out in triplicate. The substrate (DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS) was purchased from Bachem and stored as 1 mM solution in 100% DMSO. Enzyme activity  was  monitored  by  fluorescence  with  excitation  at  336  nm  and  emission  at  455  nm wavelength. The dilution buffer (used for enzyme and substrate dilution) is 10 mMNaxHyPO4,10 mM NaCl, 0.5 mM EDTA, pH 7.6. Final composition of the assay buffer is 10 mM NaxHyPO4, 10 mM NaCl, 0.5 mM EDTA, 2 &#956;M DTT (coming from enzyme stock solution), pH 7.6 with 1.25% DMSO.  All the inhibitors were stored as 10 mMin 100%DMSO solutions in -20 oC freezer.
9113	1	Antiviral activity assays	Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 &#956; l of serial tenfold dilutions of cell culture supernatant from treated cells. The inoculum was removed after 1 h and replaced by a 1.5% methylcellulose-DMEM-5% FBS overlay. Following incubation for 24 h, cells were 445 inactivated and fixed with 4.5% formaldehyde. Infected cells were detected using an antibody against SARS-CoV-2 NP (ThermoFischer, PA5-81794). Foci were counted using an AID ELISpot reader from Mabtech. The cytotoxic concentrations that reduced cell growth by 50% (CC50) and the effective concentrations that reduced infectious particles or vRNA by 50% (EC50) were calculated by fitting the data to the sigmoidal function using GraphPad Prism 450 version 8.00 (GraphPad Software, La Jolla California USA, www.graphpad.com).
9114	1	Hit profiling assay without DTT	Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relative to DMSO controls. Hit profiling using X-ray. Substrate turnover was directly proportional to enzyme concentrations up to 60 nM and assay incubation times up to 15 minutes post substrate addition. 
9114	2	Hit profiling assay with DTT	Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relative to DMSO controls. Hit profiling using X-ray. Substrate turnover was directly proportional to enzyme concentrations up to 60 nM and assay incubation times up to 15 minutes post substrate addition. DTT is added in the assay.
9114	3	anti-cytopathic effect in a Vero-E6 cell line	anti-cytopathic effect in a Vero-E6 cell line.
9115	1	Coronavirus 3C Protease FRET Assay	Proteolytic activity of Coronavirus 3C protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS 3CI_pro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-OH . The fluorescence of the cleaved TAMRA (ex. 558 nm / em. 581 nm) peptide was measured using a TECAN SAFIRE fluorescence plate reader over the course of 10 min. Typical reaction solutions contained 20 mM HEPES (pH 7.0), 1 mM EDTA, 4.0 uM FRET substrate, 4% DMSO and 0.005% Tween-20. Assays were initiated with the addition of 25 nM SARS 3CLpro (nucleotide sequence 9985-10902 of the Urbani strain of SARS coronavirus complete genome sequence (NCBI accession number AY278741)). Percent inhibition was determined in duplicate at O.OOImM level of inhibitor. Data was analyzed with the non-linear regresssion analysis program Kalidagraph using the equation:FU = offset + (limit)(1- e-(kobs)t) where offset equals the fluorescence signal of the uncleaved peptide substrate, and limit equals the fluorescence of fully cleaved peptide substrate. The kobs is the first order rate constant for this reaction, and in the absence of any inhibitor represents the utilization of substrate. In an enzyme start reaction which contains an irreversible inhibitors, and where the calculated limit is less than 20% of the theoretical maximum limit, the calculated kobs represents the rate of inactivation of coronavirus 3C protease. The slope (kobs/ I) of a plot of kobs vs. [I] is a measure of the avidity of the inhibitor for an enzyme. For very fast irreversible inhibitors, kobs/l is calculated from observations at only one or two [I] rather than as a slope.
9116	1	Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ("0% Control") and phosphorylated ("100% control") forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (luM top) was run to serve as a positive compound control.
9116	2	Kinase Assay 	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ("0% Control") and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.
9117	1	Inhibitory Activity Assay	(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 1.1-5.25 ng EGFR (ErbB1) and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(ii) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1) L858R:The 2×EGFR (ErbB1) L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.2-1.68 ng EGFR (ErbB1) L858R and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(iii) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1) T790M:The 2×EGFR (ErbB1) T790M/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 3.9-30.2 ng EGFR (ErbB1) T790M and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(iv) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1) T790M L858R:The 2×EGFR (ErbB1) T790M L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 0.38-4.22 ng EGFR (ErbB1) T790M L858R and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(v) Peptide/Kinase Mixtures for measurement of BTK:The 2×BTK/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 1.04-10.4 ng BTK and 2 &#956;M Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:256 dilution of Development Reagent B is added.(v) Peptide/Kinase Mixtures for measurement of FGFR1:The 2×FGFR1/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.41-3.5 ng FGFR1 and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnC12, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(v) Peptide/Kinase Mixtures for measurement of FGFR2:The 2×FGFR2/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.19-2.36 ng FGFR2 and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnC12, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.(v) Peptide/Kinase Mixtures for measurement of JAK2:The 2×JAK2/Tyr 06 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.06-0.81 ng JAK2 and 2 &#956;M Tyr 06 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent A is added.(v) Peptide/Kinase Mixtures for measurement of JAK3:The 2×JAK3/Tyr 06 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.29-1.34 ng JAK3 and 2 &#956;M Tyr 06 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA.
9118	1	In Vitro Enzymatic Assay	The assay principle is well known and all necessary reagents like enzymes, substrates, developer and reference compounds are commercially available. Stock solutions (10 mM in DMSO) of compounds were serially diluted 1:3 in 11 concentrations with a top concentration of 200 &#956;M for HDAC1,2,3 and 2 &#956;M for HDAC6 and HDAC8. The enzymatic reactions were conducted in a mixture containing assay buffer, bovine serum albumin, HDAC substrate, and a test compound. After enzymatic reaction, developer was added and after an additional incubation time, fluorescence intensity was measured at an excitation wavelength of 360 nm and an emission wavelength of 460 nm. All experiments were performed in duplicate.
9119	1	Inhibition In Vitro Assay	Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology. The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Phosphoacceptor substrate peptide concentration used was 1 &#956;M for all assays and Staurosporine was used as the reference compound for all assays. Specifics of each assay are as described below:CDK2/CyclinA: Enzyme concentration: 0.2 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/CyclinE: Enzyme concentration: 0.28 nM; ATP concentration: 100 &#956;M; Incubation time: 1 hr.CDK4/CyclinD1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 10 hr.
9120	1	Kinase Active Site Binding Assay	Compound binding to the ASK1 kinase active site was determined using the KINOMEscan Assay platform (DiscoverX, San Diego, Calif.). Briefly, ASK1-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. 
9120	2	Kinase Activity Inhibition Assay	Inhibition of ASK1 kinase activity was determined radiometrically using 33P substrate incorporation (Reaction Biology Corp., Malvern, Pa.). Briefly, recombinant human ASK1 protein, 20 &#956;M substrate (myelin basic protein (MBP)), and compound (diluted from DMSO stock to give 1% final DMSO) were incubated in Base Reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO) at room temperature for 20 minutes. The reaction was initiated by addition of 10 &#956;M 33P-ATP (specific activity 10 &#956;Ci/4l). The reaction was then allowed to proceed for 2 hours at room temperature. Upon reaction termination, the mixture was spotted on P81 exchange paper and kinase activity by incorporation of 33P into MBP substrate was detected by filter-binding method.
9121	1	Enzyme Inhibition Assay	Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acids 831-1132), or JAK3 (amino acids 781-1124) under buffer conditions of 50 mM HEPES pH 7.3, 1 mM DTT, 0.01% Tween 20, 50 &#956;g/mL BSA, and 10 mM MgCl2. JAK enzyme was expressed as an N-terminal GST fusion in insect cells and purified by glutathione-affinity and size-exclusion chromatographies. Enzymes were assayed both at their respective ATP Km (JAK1: 55 &#956;M, JAK2: 15 &#956;M, JAK3: 3 &#956;M) and the approximated high end of physiological ATP concentration of 5 mM, in the presence of inhibitor dosed at 30, 3, 0.3, 0.03, 0.003 and 0 &#956;M final test concentrations. For JAK1, 6 nM of enzyme (for Km ATP assay) or 4 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2 (SEQ ID NO:1)). For JAK2, 0.8 nM of enzyme (for Km ATP assay) or 0.3 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2)). For JAK3, 0.2 nM of enzyme (for Km ATP assay) or 0.1 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.).
9122	1	Inhibition Assay	The experimental procedure is briefly described as follows: the test compound was first dissolved in DMSO to prepare a stock solution, and then gradiently diluted with the buffer provided in the kit, and the final concentration of the test compound in the reaction system ranges from 10 &#956;M to 0.1 nM. The concentration of ATP solution used in the test is the ATP Km concentration corresponding to each FGFR subtype measured in advance, and the ATP Km concentration corresponding to FGFR1-4 is 100 &#956;M, 40 &#956;M, 40 &#956;M and 120 &#956;M respectively. The reaction was carried out in a 384-well microplate, the compound and a certain amount of FGFR protein was firstly added to the well, and incubated at room temperature for 5-30 minutes, then the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution, and incubated for 50 minutes with shaking at room temperature. Subsequently, an anti-phosphotyrosine antibody coupled with a europium compound and streptavidin coupled with the modified allophycocyanin XL665 were added to the reaction, and incubation was continued for 1 hour at room temperature with shaking. After the incubation ended, the fluorescence intensity values of the respective wells at an excitation wavelength of 304 nm and emission wavelengths of 620 nM and 665 nM were measured in a TF-FRET mode on a microplate reader.
9123	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. Cezanne 1 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM-beta-mercaptoethanol) to the equivalent of 0.005 &#956;l/well and 10 &#956;l of diluted Cezanne 1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus. &#955; Excitation 540 nm; &#955; Emission 590 nm.
9124	1	In Vitro Kinase Assay	For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Labcyte 384 well plate. A 1 in 100 dilution was made from quadrant 1 into quadrant 2 by removing 0.4 ul and adding it to 39.6 ul of DMSO. Subsequent 1 in 100 dilutions were made into quadrant 3 from quadrant 2 and quadrant 4 from quadrant 3.Multiple 2.5 nl droplets were dispensed from each quadrant of the master plate using ECHO dosing technology (Labcyte Inc. Sunnyvale, Calif., USA) to generate the dose range that was required in the test. The dose range most commonly used was as follows: 100 uM, 30 uM, 10 uM, 3 uM, 1 uM, 0.3 uM, 0.1 uM, 0.03 uM, 0.01 uM, 0.003 uM, 0.001 uM, 0.0001 uM. Each well was backfilled with Dimethyl Sulphoxide (DMSO) to a total volume of 120 nl, such that when the enzyme and substrate mix was added the final DMSO concentration was 1%. DMSO was added to max control wells as 120 nl, minimum control wells were treated with 120 nl of compound at a concentration that inhibited the enzyme activity 100%.Following addition of compound or control to the assay plate, 6 &#956;l peptide mix containing 3 &#956;M substrate (5-FAM-GRPRTSSFAEG-CONH2; CRB) and 40 &#956;M ATP in Kinase base buffer (100 mM Hepes pH 7.5, 0.015% Brij-35) and 6 &#956;l enzyme mix containing 8 nM AKT1/PKB&#945; active enzyme (Upstate Biotechnology, Cat No. 14-276), 8 mM DTT and 20 mM MgCl2 in kinase base buffer was added. All buffers were made up with 18M&#937; water. The plates were sealed and incubated at room temperature for 50 minutes. The reaction was stopped by the addition of 10 &#956;l stop buffer (100 mM Hepes pH 7.5, 0.015% Brij-35 solution, 0.1% coating reagent #3, 40 mM EDTA, 5% DMSO) to each well (N.B. plates can be frozen after stopping and read later).
9125	1	In Vitro Receptor Binding 	The compounds were gradient diluted with DMSO in 3-fold using liquid work station POD starting at a concentration of 10 mmol/L and 10 points were diluted (2nd column to 11th column, and each point was duplicated). At 12th column, 1 &#956;L of 5 mg/mL positive compound R848 was added as positive control; and at 1st column, 1 &#956;L of DMSO was added as negative control. Each well contained 1 &#956;L of DMSO.2. The cells in culture flask were collected and the cell density was diluted to 250,000 cells/mL.3. 200 &#956;L (50,000 cells/well) of cell suspension was added into prepared compound plate and the final concentration of DMSO in each well was 0.5%.4. The culture plates containing cells and the compounds were incubated in CO2 incubator for 24 h at 37° C., 5% CO2.5. After 24 h incubation, 20 &#956;L of supernatant was removed from each well to a 96-well transparent assay plate. To each well of the assay plate was added 180 &#956;L of Quanti-Blue reagent and the plate was incubated in an incubator at 37° C., 5% CO2 for 1 h.6. After 1 h, the content of alkaline phosphatase in 20 &#956;L of supernatant was determined using Microplate Reader OD650.
9126	1	Enzyme Inhibition Assay	Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C.
9127	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L, assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. 
9128	1	Competition Binding Assay	Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT, using 0.025 &#956;Ci per well 3H-estradiol (118 Ci/mmol, 1 mCi/mL), 7.2 ng/well ER&#945; (wild type), or 7.2 ng/well ER&#945; (Y537S mutant) or 7.7 ng/well ER&#946; receptor. Add the test compound at 10 different concentrations ranging from 10,000 nM to 0.5 nM, and determine nonspecific binding in the presence of 1 &#956;M of 1713 estradiol. Incubate the binding reaction (140 &#956;L) for 4 hours at room temperature, and then add cold dextran-charcoal buffer (70 &#956;L) (containing per 50 mL of assay buffer, 0.75 g of charcoal and 0.25 g of dextran) to each reaction. Mix the plates for 8 minutes on an orbital shaker at 4° C. and then centrifuge at 3000 rpm at 4° C. for 10 minutes. Transfer an aliquot (120 &#956;L) of the mixture to another 96-well, white flat bottom plate (Costar) and add Perkin Elmer Optiphase Supermix scintillation fluid (175 &#956;L) to each well. Seal the plates and shake vigorously on an orbital shaker. After an incubation of 2.5 hours, read the plates in a Wallac Microbeta counter.
9129	1	Inhibition Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
13230	1	TBD	TBD
13230	2	TBD	TBD
13230	3	TBD	TBD
13230	4	TBD	TBD
13231	1	Determination of the Compounds of the Present Invention on Activities of TRKA, TRKB, TRKC, TRKA(G595R), TRKA(G667C) and TRKC(G623R) Kinases	Table 1: The experimental methods were operated according to the steps in the kit instruction, and were briefly described as follows: a test compound was first dissolved in DMSO to prepare a storage solution, and then diluted in gradient with a buffer provided in the kit. A final concentration of the test compound in the reaction system ranged from 1,000 nM to 0.004 nM. An ATP Km value concentration of each NTRK protein was determined by using an ATP solution diluted in gradient (Sangon Biotech (Shanghai) Co., Ltd., A600311). According to the Km value obtained, the ATP concentrations in the reaction system were set as 100 μM for TRKA, 10 μM for TRKB, 50 μM for TRKC, 7 μM for TRKA(G595R), 1 μM for TRKA(G667C) and 100 μM for TRKC(G623R). The reaction was carried out in a 384-well microplate. Firstly, the compound and a certain amount of corresponding NTRK protein were added to the wells and incubated for 5 minutes to 10 minutes at room temperature. Then, the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution and incubated with shaking at room temperature for 60 minutes. Then, an anti-phosphorylated tyrosine antibody coupled with a europium compound and streptavidin coupled with modified allophycocyanin XL665 were added to the reaction, and continuously incubated with shaking at room temperature for 1 hour. After incubation, fluorescence intensity values of each well at an excitation wavelength of 304 nm, and emission wavelengths of 620 nM and 665 nM were determined in a TF-FRET mode on a microplate reader.
13231	2	Determination of the Compounds of the Present Invention on Activity of ALK Kinase	Table 4: The experimental flow was briefly described as follows: a test compound was first dissolved in DMSO to prepare a storage solution, and then diluted in gradient with a buffer provided in the kit. A final concentration of the test compound in the reaction system ranged from 1000 nM to 0.004 nM. An ATP Km value concentration of each ALK protein was determined by using an ATP solution diluted in gradient (Sangon Biotech (Shanghai) Co., Ltd., A600311). According to the Km value obtained, the ATP concentrations in the reaction system were set as 1 μM for ALK, 10 μM for ALK(G1202R) and 25 μM for ALK(L1196M, G1202R). The reaction was carried out in a 384-well microplate. Firstly, the compound and a certain amount of corresponding ALK protein were added to the wells and incubated for 5 minutes to 10 minutes at room temperature. Then, the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution and incubated with shaking at room temperature for 60 minutes. Then, an anti-phosphorylated tyrosine antibody coupled with a europium compound and streptavidin coupled with modified allophycocyanin XL665 were added to the reaction, and continuously incubated with shaking at room temperature for 1 hour. After incubation, fluorescence intensity values of each well at an excitation wavelength of 304 nM, and emission wavelengths of 620 nM and 665 nM were determined in a TF-FRET mode on a microplate reader, and the fluorescence intensity ratio 665/620 of each well was calculated.
13231	3	Determination of the Compounds of the Present Invention on Activities of ALK(G1202R) and ALK(L1196M, G1202R) Kinases	Table 5: The experimental flow was briefly described as follows: a test compound was first dissolved in DMSO to prepare a storage solution, and then diluted in gradient with a buffer provided in the kit. A final concentration of the test compound in the reaction system ranged from 1000 nM to 0.004 nM. An ATP Km value concentration of each ALK protein was determined by using an ATP solution diluted in gradient (Sangon Biotech (Shanghai) Co., Ltd., A600311). According to the Km value obtained, the ATP concentrations in the reaction system were set as 10 μM for ALK(G1202R) and 25 μM for ALK(L1196M, G1202R). The reaction was carried out in a 384-well microplate. Firstly, the compound and a certain amount of corresponding ALK protein were added to the wells and incubated for 5 minutes to 10 minutes at room temperature. Then, the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution and incubated with shaking at room temperature for 60 minutes. Then, an anti-phosphorylated tyrosine antibody coupled with a europium compound and streptavidin coupled with modified allophycocyanin XL665 were added to the reaction, and continuously incubated with shaking at room temperature for 1 hour. After incubation, fluorescence intensity values of each well at an excitation wavelength of 304 nM, and emission wavelengths of 620 nM and 665 nM were determined in a TF-FRET mode on a microplate reader, and the fluorescence intensity ratio 665/620 of each hole was calculated.
13231	4	Determination of the Compounds of the Present Invention on Activities of ROS1 and ROS1(G2032R) Kinases	Table 6: The experimental flow was briefly described as follows: a test compound was first dissolved in DMSO to prepare a storage solution, and then diluted in gradient with a buffer provided in the kit. A final concentration of the test compound in the reaction system ranged from 1000 nM to 0.004 nM. An ATP Km value concentration of each ROS1 protein was determined by using an ATP solution diluted in gradient (Sangon Biotech (Shanghai) Co., Ltd., A600311). According to the Km value obtained, the ATP concentrations in the reaction system were set as 1 μM for ROS1 and 0.5 μM for ROS1(G2032R). The reaction was carried out in a 384-well microplate. Firstly, the compound and a certain amount of corresponding ROS1 protein were added to the wells and incubated for 5 minutes to 10 minutes at room temperature. Then, the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution and incubated with shaking at room temperature for 60 minutes. Then, an anti-phosphorylated tyrosine antibody coupled with a europium compound and streptavidin coupled with modified allophycocyanin XL665 were added to the reaction, and continuously incubated with shaking at room temperature for 1 hour. After incubation, fluorescence intensity values of each well at an excitation wavelength of 304 nM, and emission wavelengths of 620 nM and 665 nM were determined in a TF-FRET mode on a microplate reader, and the fluorescence intensity ratio 665/620 of each hole was calculated.
13232	1	Inhibitory Activity Assay	Assay Method: (1) A compound stock solution was prepared and diluted 3× to give a compound dilution; 10 nL of the compound dilution was transferred to a 384-well plate (784075, Greiner) by Echo 550;(2) The plate was sealed, and centrifuged at 1,000 g for 1 min;(3) 2×EGFRL858R/T790M/C797S protein working solutions were prepared with 1× kinase buffer, respectively;(4) 5 μl of the 2×EGFR protein working solution was added to the 384-well plate from step (2), centrifuged at 1,000 g for 30 s, and allowed to stand at room temperature (mixed thoroughly) for 10 min;(5) A mixture of 2× TK-substrate-biotin (2 μM) and ATP was prepared with 1× Kinase buffer;(6) 5 μL of the TK-substrate-biotin and ATP (the mixture prepared in step (5)) was added to the 384-well plate from step (4) to initiate the reaction;(7) The mixture was centrifuged at 1,000 g for 30 s; the plate was sealed, and allowed to stand (and reacted) at room temperature for 40 min;(8) 4×Sa-XL 665 and TK-antibody-Cryptate were prepared with detection buffer;(9) 5 μL of the Sa-XL 665 and 5 μL of the TK-antibody-Cryptate were added successively to the 384-well plate from step (7);(10) The mixture was centrifuged at 1,000 g for 30 s, and allowed to stand (react) at room temperature for 1 h;(11) Fluorescence values were read at 615 nm and 665 nm by enzyme labeling instrument (PerkinElmer, 74785).
13233	1	LanthaScreen Eu Kinase Binding Assay	The reagent was prepared through a series of dilutions of the tracer. The tracer was first diluted to 3000 nM by adding 3.6 μL of 50 μL stock tracer to 56 μL of 1× Kinase Buffer A. 50 μL of 1× Kinase Buffer A was added to 5 wells in each of two columns of a 96-well plate. 50 μL of the 3000 nM tracer was added to well A1 and mixed. 50 μL of solution was removed from A1 and transferred to A2 and mixed. 50 μL of the solution in well A2 was removed and transferred to well B1 and mixed. This protocol was repeated nine times to the desired concentration. The kinase/antibody solution was prepared at 15 nM kinase, 6 nM antibody, and 6 nM Eu-Streptavidin. Both the antibody tube and Eu-Streptavidin tube were centrifuged at approximately 10,000×g for ten minutes, and the desired volume was aspirated from the top. The volume of reagents added to Kinase Buffer A were calculated using the equations provided in the LanthaScreen® Eu Kinase Binding Assay Validation Packet. 30 μM staurosporine (“competitor solution”) was prepared by diluting 30 μL of 1 mM staurosporine (from a stock in DMSO) into 970 μL Kinase Buffer A. A 3% DMSO control solution was prepared by adding 30 μL DMSO to 970 μL Kinase Buffer A.5 μL of each concentration of serially diluted tracer was added to six replicate assay wells in a 384-well plate. 5 μL of competitor solution was added to three wells for each tracer concentration. 5 μL of DMSO control solution was added to the other three wells for each tracer concentration. 5 μL of kinase/antibody solution was added to all wells, and the plate was incubated at room temperature for 60 mins.
13234	1	Human DNA Polymerase Inhibition Assay	The human DNA polymerase alpha (catalog #1075), beta (catalog #1077), and gamma (catalog #1076) were purchased from CHIMERx (Madison, WI). Inhibition of beta and gamma DNA polymerase activity was assayed in microtiter plates in a 50 uL reaction mixture containing 50 mM Tris-HCl (pH 8.7), KCl (10 mM for beta and 100 mM for gamma), 10 mM MgCl2, 0.4 mg/mL BSA, 1 mM DTT, 15% glycerol, 0.05 mM of dCTP, dTTP, and dATP, 10 uCi [32P]-alpha-dGTP (800 Ci/mmol), 20 ug activated calf thymus DNA and the test compound at indicated concentrations. The alpha DNA polymerase reaction mixture was as follows in a 50 uL volume per sample: 20 mM Tris-HCl (pH 8), 5 mM magnesium acetate, 0.3 mg/mL BSA, 1 mM DTT, 0.1 mM spermine, 0.05 mM of dCTP, dTTP, and dATP, 10 uCi [32P]-alpha-dGTP (800 Ci/mmol), 20 ug activated calf thymus DNA and the test compound at the indicated concentrations. For each assay, the enzyme reactions were allowed to proceed for 30 minutes at 37° C. followed by the transfer onto glass-fiber filter plates and subsequent precipitation with 10% trichloroacetic acid (TCA). The plate was then washed with 5% TCA followed by one wash with 95% ethanol. Once the filter had dried, incorporation of radioactivity was measured using a liquid scintillation counter (Microbeta).
13235	1	In Vitro Assay	PXR can be determined in an in vitro assay system. Such in vitro assay systems include assay such as the assays as described herein.
13236	1	Inhibition of HSP47 Function	Fibrils were formed by adding 180 ul of phosphate-buffered saline (PBS, pH 7.4) solution to 20 ul of collagen dissolved in acidic solution (collagen solution, UK), which was measured at a wavelength of 340 nm. HSP47 (GenScript US) was added at a concentration of 9.45 μg/ml to assess HSP47 activity as the degree to which it inhibits fibril formation. Test compound was added with concentrations of 100 μM to 1 μM and the inhibitory activity of HSP47 was calculated as a percentage or EC50.
13237	1	Myosin inhibition assay	Small molecule agents were assessed for their ability to inhibit the enzymatic activity of bovine cardiac myosin using a biochemical assay that couples the release of ADP (adenosine diphosphate) from cardiac myosin to an enzymatic coupling system consisting of pyruvate kinase and lactate dehydrogenase (PK/LDH) and monitoring the absorbance decrease of NADH (at 340 nm) as a function of time. PK converts ADP to ATP (adenosine triphosphate) by converting PEP (phosphoenolpyruvate) to pyruvate. Pyruvate is then converted to lactate by LDH by converting NADH (nicotinamide adenine dinucleotide) to NAD (oxidized nicotinamide adenine dinucleotide). The source of cardiac myosin was from bovine heart in the form of skinned myofibrils. Prior to testing small molecule agents, the bovine myofibrils were assessed for their calcium responsiveness and the calcium concentration that achieves a 50% activation of the myofibril system was chosen as the final condition for assessing the inhibitory activity of the small molecule agents. All enzymatic activity was measured in a buffered solution containing 12 mM PIPES (piperazine-N,N′-bis(2-ethanesulfonic acid), 2 mM magnesium chloride at pH 6.8 (PM12 buffer). Final assay conditions were 1 mg/mL of bovine cardiac myofibrils, 0.4 mM PK/LDH, 50 uM ATP, 0.1 mg/mL BSA (bovine serum albumin), 10 ppm antifoam, 2 mM BME, 0.5 mM NADH, and 1.5 mM PEP at the desired free calcium concentration required to achieve 50% activation of the myofibrils.A dilution series of compound was created in DMSO such that the final desired concentration of compound would be achieved in a volume of 30 μL with a fixed DMSO concentration of 3.3% (v/v). Typically 1 μL of the dilution series were added to 384 well plate to achieve a 10 point dose response. Following the addition of 14 μL of a solution containing bovine cardiac
13238	1	Inhibition of SHP2 Phosphatase Activity Assay	Inhibition of SHP2 phosphatase activity was evaluated using human recombinant 6His-Nterm (SEQ ID NO: 1) SHP2 full-length (Thr2-Arg593, R&D system), NsCs bi-phosphorylated activating peptide (NH2-LN(pY)AQLWHA(PEG8)LTI(pY)ATIRRF-Amide.acetate (SEQ ID NO: 2), Thermofischer Scientific) and DiFMUP as surrogate phosphatase substrate (Molecular Probes). All reactions were performed at room temperature in 384-well black polystyrene non-binding plate (Corning) with the assay buffer (50 mM HEPES-NaOH pH 7.2, 100 mM NaCl, 0.5 mM EDTA, 0.001% Brij35 including 0.02% BSA and 1 mM DTT added extemporaneously). SHP2 was pre-incubated at least 10 min with the activating peptide (0.2 nM and 100 nM, respectively). 10 μL of this mixture was added to the assay plate, that already contained 15 nL of the compound (1000-0.05 nM). After 30 min pre-incubation, the enzymatic reaction was initiated by the addition of 5 μL DiFMUP in assay buffer without BSA (20 μM). The reaction was stopped by the addition of 15 μL sodium pervanadate solution (100 μM) after 45 min incubation. The fluorescence signal was measured at excitation and emission wavelengths of 350 nm and 450 nm, respectively, using a Pherastar instrument (BMG-LabTech).
13239	1	Radiolabel Binding Studies for Serotonin 5-HT7 Receptors	A stock concentration of 5 nM [3H]-5-Hydroxytryptamine ([3H]-5HT) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 μl) of radioligand are dispensed into the wells of a 96-well plate containing 100 μl of Assay Buffer. Duplicate 50-μl aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at −80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.The 250-μl reactions are incubated at room temperature for 1.5 hours, then harvested by rapid filtration onto 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester. Four rapid 500-μl washes are performed with chilled Assay Buffer to reduce non-specific binding. The filter mats are dried, then scintillant is added to the filters and the radioactivity retained on the filters is counted in a Microbeta scintillation counter.
13240	1	HPK-1 biochemical enzyme assay	Compound inhibitory potency was measured in an HPK-1 kinase inhibition assay. Briefly, recombinant full length HPK-1 enzyme (6.8 nM) was incubated with 10 μM ATP and 12.5 μM swine myelin basic protein (MBP) for 30 mins. at 25° C. in the presence of various concentrations of test compound or vehicle in 40 mM Tris.Cl pH7.4 buffer containing 20 mM MgCl2, 50 μM DTT and 0.1 mg/mL BSA. Reactions were quenched and reaction mixtures were then analyzed by an ADP-Glo kit which measures the formed ADP. The percent inhibition was calculated from the substrate conversion considering no enzyme control reactions for 100% inhibition and vehicle only reactions for 0% inhibition. The compounds were dissolved in DMSO and evaluated at 10 concentrations to determine an IC50 value.
13241	1	Enzymatic Activity Inhibition Assay	Table B: The enzymatic assay used to determine activity was a Luminescence assay using a Microplate Reader ClarioStar Plus. The enzymatic reaction was carried out in assay buffer (40 mM TRIS-HCl pH 7.4-7.6, 20 mM MgCl2, 2.5 mM MnCl2, 0.05 mM DTT, 0.1 mg/ml BSA). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C—S) using the Biomek FX liquid handling system at 80× solutions of compounds in DMSO. 2× Protein-Substrate mix (final concentration 1.5 nM of EGFR (D770_N771insNPG) and 50 ng/μl of Poly(Glu, Tyr)) was prepared in 1× Assay buffer and 4p1 of mixture per well was added into 384w white Reaction plate with NBS (Coming, Cat #4513). 4 μl of Poly(Glu, Tyr) substrate w/o EGFR in 1× buffer was used for negative control. Plates were centrifuged for 1 min at 200 g. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 1 μl of 80× compounds (in DMSO) were mixed thoroughly with 39 μl of 2× 10 μM ATP in Assay Buffer, then 4 μl of this mixture was added to Reaction plate with 4 μl of Protein-Substrate mix. Plates were centrifuged for 1 min at 200 g and incubated for 1 h at rt. Next 4 μL of ADP-Glo reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added. Plates were incubated for 30 min at rt. Then 8 μL of Kinase detection reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added and the Luminescence was measured using Microplate Reader.
13241	2	EGFR enzymatic activity Inhibition (WT)	Table D: The enzymatic assay used to determine activity was a Luminescence assay using a Microplate Reader ClarioStar Plus. The enzymatic reaction was carried out in assay buffer (40 mM TRIS-HCl pH 7.4-7.6, 20 mM MgCl2, 2.5 mM MnCl2, 0.05 mM DTT, 0.1 mg/ml BSA). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C—S) using the Biomek FX liquid handling system at 80× solutions of compounds in DMSO. 2× Protein-Substrate mix (final concentration 4 nM of EGFR and 50 ng/μl of Poly(Glu, Tyr)) was prepared in 1× Assay buffer and 4 μl of mixture per well was added into 384w white Reaction plate with NBS (Coming, Cat #4513). 4 μl of Poly(Glu, Tyr) substrate w/o EGFR in 1× buffer was used for negative control. Plates were centrifuged for 1 min at 200 g. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 1 μl of 80× compounds (in DMSO) were mixed thoroughly with 39 μl of 2× 10 μM ATP in Assay Buffer, then 4 μl of this mixture was added to Reaction plate with 4 μl of Protein-Substrate mix. Plates were centrifuged for 1 min at 200 g and incubated for 1 h at rt. Next 4 μL of ADP-Glo reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added. Plates were incubated for 30 min at rt. Then 8 μL of Kinase detection reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added and the Luminescence was measured using Microplate Reader.
13242	1	In Vitro Enzyme Activity Assay	Table 1: Method 1: The IC50 value was assayed by 33P isotope-labeled kinase activity assay to evaluate the inhibitory ability of a test compound on human HPK1.Enzyme buffer conditions: 50 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 2 mM DTT.Preparation of the mixture of kinase and substrate: the concentration of HPK1 in the reaction solution was 0.1 nM or 8.1 nM, the concentration of ATP was 10 M or 15 M, and the concentration of MBP was 0.05 mg/mL.Assay steps: A compound was diluted 3-fold with DMSO in a dilution plate, with a final initial concentration of 10 M and 10 concentration gradient points. The compound was diluted 50-fold into the kinase reaction buffer, and the mixture was shaken on a shaker for 20 minutes. The kinase was prepared with the enzyme reaction buffer. 2 μL of kinase was added to each well of a reaction plate. 1 μL of the diluted compound in the buffer was added to each well. The plate was sealed with a sealing film, centrifuged at 1000 g for 30 seconds, and placed at room temperature for 10 minutes. The mixed solution of ATP/MBP was prepared with the enzyme reaction buffer. 2 μL of the mixed solution of ATP/MBP was added to the reaction plate. The plate was sealed with a sealing film, and centrifuged at 1000 g for 30 seconds. The mixture in the plate was reacted at room temperature for 60 minutes. 4 μL of ADP-Glo was transferred to the 384 reaction plate and centrifuged at 1000 rpm/min for 1 min. The plate was incubated at 25° C. for 40 min. 8 μL of detection solution was transferred to the 384 reaction plate, and centrifuged at 1000 rpm/min for 1 min. The plate was incubated at 25° C. for 40 min.
13242	2	Kinase Activity Assay	Table 2: Method 2: The IC50 value was assayed by the kinase activity assay using ADP-Glo method to evaluate the inhibitory ability of a test compound on human HPK1.Enzyme buffer conditions: 50 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 2 mM DTT.Preparation of the mixture of kinase and substrate: the concentration of HPK1 in the reaction solution was 0.3 nM, the concentration of ATP was 10 M, and the concentration of MBP was 0.05 mg/mL.Assay steps: A compound was diluted 4-fold with DMSO in a dilution plate, with a final initial concentration of 10 M and 10 concentration gradient points. The compound was diluted 50-fold into the kinase reaction buffer, and the mixture was shaken on a shaker for 20 minutes. The kinase was prepared with the enzyme reaction buffer. 2 μL of kinase was added to each well of a reaction plate. 1 μL of the diluted compound in the buffer was added to each well. The plate was sealed with a sealing film, centrifuged at 1000 g for 30 seconds, and placed at room temperature for 10 minutes. The mixed solution of ATP/MBP was prepared with the enzyme reaction buffer. 2 μL of the mixed solution of ATP/MBP was added to the reaction plate. The plate was sealed with a sealing film, and centrifuged at 1000 g for 30 seconds. The mixture in the plate was reacted at room temperature for 60 minutes. 4 μL of ADP-Glo was transferred to the 384 reaction plate, and centrifuged at 1000 rpm/mi for 1 min. The plate was incubated at 25° C. for 40 min. 8 μL of detection solution was transferred to the 384 reaction plate, and centrifuged at 1000 rpm/min for 1 min. The plate was incubated at 25° C. for 40 min. The RLU (relative luminescence unit) signal was read with a BMG microplate reader, and the signal intensity was used to characterize the activity of the kinase.
13242	3	In Vitro Enzyme Activity Assay	Table 4: The IC50 value was assayed by the kinase activity assay using ADP-Glo method to evaluate the inhibitory ability of a test compound on human GLK.Enzyme buffer conditions: 50 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 2 mM DTT.Preparation of the mixture of kinase and substrate: the concentration of GLK in the reaction solution was 8 nM, the concentration of ATP was 20 M, and the concentration of MBP was 0.05 mg/mL.Assay steps: A compound was diluted 4-fold with DMSO in a dilution plate, with a final initial concentration of 10 M and 10 concentration gradient points. The compound was diluted 50-fold into the kinase reaction buffer, and the mixture was shaken on a shaker for 20 minutes. The kinase was prepared with the enzyme reaction buffer. 2 μL of kinase was added to each well of a reaction plate. 1 μL of the diluted compound in the buffer was added to each well. The plate was sealed with a sealing film, centrifuged at 1000 g for 30 seconds, and placed at room temperature for 10 minutes. The mixed solution of ATP/MBP was prepared with the enzyme reaction buffer. 2 μL of the mixed solution of ATP/MBP was added to the reaction plate. The plate was sealed with a sealing film, and centrifuged at 1000 g for 30 seconds. The mixture in the plate was reacted at room temperature for 60 minutes. 4 μL of ADP-Glo was transferred to the 384 reaction plate, and centrifuged at 1000 rpm/min for 1 min. The plate was incubated at 25° C. for 40 min. 8 μL of detection solution was transferred to the 384 reaction plate, and centrifuged at 1000 rpm/min for 1 min. The plate was incubated at 25° C. for 40 min. The RLU (relative luminescence unit) signal was read with a BMG microplate reader, and the signal intensity was used to characterize the activity of the kinase.
13243	1	TR-FRET Biochemical Assay	The KRAS: CRAF PPI assay can be utilized to identify KRAS ‘ON’ state inhibitors, as the KRAS protein is loaded with GMPPNP (a non-hydrolyzable GTP analog), which represents the active KRAS ‘ON’ state. FLAG-tagged CRAF RBD binding to the GMPPNP loaded biotin-tagged KRAS will result in a fluorescence energy transfer from the donor (Tb-anti-FLAG, emission 620 nm) to the acceptor (SA-XL665, emission 665 nm). Disruption of KRAS and CRAF binding will reduce the TR-FRET signal. Test compound was dissolved in DMSO to create a 1 mM stock solution. A 45 μL volume of stock solution was transferred to a 384well polypropylene plate. A 3fold, 10point dilution was performed by transferring 15 μL of test compound solution into 30 μL of DMSO. Assay buffer A was prepared with 25 nM Hepes, pH7.3, 0.002% Tween 20, 0.1% BSA, 100 nM NaCl, 5 mM MgCl2, and 10 uM GMP-PNP. 4× KRAS Solution was prepared with 80 nM of Biotin-KRAS (G12D/V), GMPPNP loaded or Biotin-KRAS (WT), GMPPNP loaded protein in assay buffer A. 4× Raf RBD Solution was prepared with 400 nM FLAG CRAF RBD in assay buffer A. 2× Detection Mixture was prepared with 2 nM Tb-anti-FLAG antibody and 10 nM and 10 nM SA-XL665 in assay buffer A. A volume of 100 nL of 100× test compound working solution or DMSO vehicle control solution was dispensed to each well (duplicate for each concentration) of a 384-well ProxiPlate Plus assay plate. A volume of 2.5 μL of 4× KRAS Solution was added to each well of the assay plate for a final concentration of 20 nM Biotin-KRAS (G12D/V),GMPPNP loaded or 20 nM Biotin-KRAS (WT), GMPPNP. For low control, add 2.5 μL of assay buffer (no KRAS protein). Pre-incubate assay plate for 30 minutes at room temperature. Following pre-incubation of test compound or DMSO with Biotin-KRAS (G12D/V),GMPPNP loaded or Biotin-KRAS (WT),GMPPNP, a volume of 2.5 μL of 4× FLAG cRAF RBD Solution was added to each well of the assay plate for a final concentration of 100 nM FLAG CRAF RBD. The assay plate was subjected to centrifuge at 1000 rpm for 1 minute and pre-incubate assay plate for 150 minutes at room temperature. Following the pre-incubation with FLAG cRAF RBD, a volume of 5 μl of 2× Detection Mixture was added to each well of the assay plate for a final concentration of 1 nM Tb-anti-FLAG and 5 nM SA-XL665. The assay plate was centrifuged at 1000 rpm for 1 minute and incubated for 90 minutes at room temperature. TR-FRET signal was measured on a BioTek Synergy Neo2 microplate reader (excitation at 340 nm, emission at 665 nn and 620 nm).
13244	1	Mpro mutant enzymatic assays	 Compounds are 3 fold serially diluted for 10 doses and added to an assay plate (384w format) using ECHO, in duplicate wells. The test concentration of test compounds is defined by sponsor. For 100% inhibition control (HPE, hundred percent effect), 2 pM of GC376 is added. For no inhibition control (ZPE, zero percent effect), DMSO is added. 25 pL of Mpro proteins are added to the assay plates containing compounds, respectively, using Multidrop. The compounds and Mpro proteins are pre-incubated at room temperature for 30 min. Then 5 pL of Mpro substrates are added to the related assay plates, respectively. Each activity testing point has a relevant background control to normalize the fluorescence interference of compound. After 60 min incubation at 30°C, the fluorescence signal (RFU) is detected using a microplate reader M2e (SpectraMax) at Ex/Em=340nm/490nm. The inhibition activity is calculated using the formula below, IC50 values will be calculated using the Inhibition% data.
13245	1	AKT1 E17K Kinase Biological Activity Assay	Purified human recombinant kinase full-length AKT1 E17K was expressed in insect cells and activated in vitro by PDPK1. UlightTM-CREBtide (PerkinElmer, catalog number TRF0107) was used as the peptide substrate. The reaction buffer consisted of 50 mM HEPES pH 7.5, 10 mM MgCl2, 0.01% Triton X-100, 0.01% BSA, 2 mM DTT, 0.6 nM AKT1 E17K, 50 nM UlightTM-CREBtide and either 50 μM ATP or 2 mM ATP. The compound solution was prepared as 10 mM DMSO stock. For the assay, a 1:3 serial dilution 10-pt dose response of test compounds, in duplicate, for each concentration were dispensed into a 384-well plate (Corning, catalog number 4513). Final DMSO concentration in the assay was 1%. The enzyme mixture (5 μL, 1.2 nM) were added and the mixture was incubated for 15 min at RT prior to the start of the kinase reaction by the addition of 5 μL substrate mixture (100 nM UlightTM-CREBtide). The reaction was stopped after 60 min of incubation at RT by the addition of 10 μL of Detection Mix (PerkinElmer, #CR97-100) consisting of Europium-anti-phospho-CREB (Ser133) (Perkin Elmer, catalog numberTRF0200). Incubation with the detection mix for a further 60 min allowed binding of antibody to the phospho-UlightTMCREBtide. The fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured using Envision reader. The ratio of the emissions at 665 nm and at 620 nm provided the measure for the amount of phosphorylated CREBtide product of AKT1 E17K kinase activity. To determine the IC50 values, the data was normalized (enzyme reaction without inhibitor = 0% inhibition, all other assay components but no enzyme = 100% inhibition) and IC50 values were calculated by a 4-parameter fit using an in-house developed protocol.
9131	1	HTRF In vitro Profiling Assay	PI3Kinase Reaction Buffer was prepared by diluting the stock 1:4 with de-ionized water. Freshly prepared DTT was added at a final concentration of 5 mM on the day of use. Enzyme addition and compound pre-incubation were initiated by the addition of 2.5 &#956;L of PI3K (at twice its final concentration) in 1× reaction buffer to all wells using a Multidrop Combi. Plates were incubated at room temperature for 15 minutes. Reactions were initiated by addition of 2.5 &#956;L of 2× substrate solution (PIP2 and ATP in IX reaction buffer) using a Multidrop Combi. Plates were incubated at room temperature for one hour. Reactions were quenched by the addition of 2.5 &#956;L of stop solution (Stop A and Stop B pre-mixed at a ratio of 5:1, respectively) to all wells using the Multidrop Combi. The quenched reactions were then processed to detect product formation by adding 2.5 &#956;L of Detection Solution to all wells using the Multidrop Combi (Detection mix C, Detection mix A, and Detection mix B combined together in an 18:1:1 ratio, i.e.: for a 6000 &#956;L total volume, mix 5400 &#956;L Detection mix C, 300 &#956;L Detection mix A, and 300 &#956;L Detection mix B. Note: this solution should be prepared 2 hours prior to use). Following a one hour incubation in the dark, the HTRF signal was measured on the Envision plate reader set for 330 nm excitation and dual emission detection at 620 nm (Eu) and 665 nm (APC).
9132	1	Inhibition of Protease Activity Assay	Full-length cDNA of human MALT1 gene (GenBank accession No: AB026118.1) amplified by PCR was inserted in flame to a SalI site located downstream of GST gene in a pGEX6P3 vector (GE Healthcare Japan Corp.) to prepare a vector (hereinafter, referred to as a pGEX6P3-MALT1 vector). Subsequently, E. coli for protein expression (BL21-RIL-codon plus-DE3, Agilent Technologies, Inc.) was transformed with the pGEX6P3-MALT1 vector and then analyzed by ampicillin resistance screening and colony PCR to obtain an E. coli strain expressing recombinant GST fusion MALT1. Protein expression was induced with isopropyl-(3-thiogalactopyranoside. After the expression induction, E. coli precipitates were recovered by centrifugation from the E. coli culture solution, and the E. coli precipitates were homogenized and then centrifuged to obtain a supernatant. The supernatant was purified using GSTrap FF column (GE Healthcare Japan Corp.) to obtain recombinant GST fusion MALT1.B) Evaluation of Inhibition of Protease Activity of MALT1:To 89 &#956;L of an enzyme solution (4.8 g/mL GST fusion MALT1, 50 mmol/L MES, 150 mmol/L NaCl, 10% sucrose, 0.1% CHAPS, 10 mmol/L dithiothreitol, and 1 mol/L tri-ammonium citrate) per specimen, 1 &#956;L of a test compound (DMSO-diluted solution) of each concentration was added to prepare a mixed solution. The mixed solution was incubated at room temperature for 30 minutes, followed by the measurement of the fluorescence value of the mixed solution (fluorescence value of the first measurement) (Ex: 380 nm, Em: 460 nm; Envision (Perkin Elmer Inc.)). Next, 10 &#956;L of 200 &#956;mol/L substrate (Ac-LRSR-AMC, SM Biochemicals LLC) was added (final concentration: 20 &#956;mol/L) to the mixed solution, and the mixture was reacted by incubation at 30° C. for 80 minutes, followed by the measurement of the fluorescence value of the reaction solution (fluorescence value of the second measurement) (Ex: 380 nm, Em: 460 nm; Envision (Perkin Elmer Inc.)). 
9133	1	Fluorescent Assay	ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. The percentage of inhibition describes the percentage by which the inhibitor reduces the velocity/rate of 2-AG hydrolysis by ABHD6, and MGL or AEA hydrolysis by FAAH. 
9133	2	Fluorescent Assay	MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Application 2009/117444 A1, (2009) 109 pp.), (Zvonok et al Chem. Biol. (2008) 15: 854-862), (Zvonok et al J. Proteome Res. (2008) 7: 158-2164). This medium throughput assay involved a 96-well plate format in which hMGL activity was monitored by the hydrolysis of the substrate 7-hydroxy-6-methoxy-4-methylcoumarin ester (AHMMCE) to form the fluorescent product, coumarin. In brief, various concentrations of each compound were preincubated with hMGL (175 ng of total protein in E. coli lysate containing hMGL) for 15 min at room temperature. Upon the addition of AHMMCE, the reaction was incubated at 25° C. for 120 min; fluorescence readings were taken every 15 min at 360 nm/460 nm (&#955;excitation/&#955;emission) using a Synergy HT Plate Reader (Bio-Tek, Winooski, Vt.). Under these incubation conditions, negligible spontaneous AHMMCE hydrolysis was observed. External standards were used to convert relative fluorescence units to the amount of 4-methylcoumarin formed. 
9133	3	Fluorescent Assay	Rat/homo FAAH:Procedure was followed as described for hMGL, except that arachidonoyl-methyl coumarin (was used as fluorigenic substrate. Compounds were diluted in 50:50 DMSO/assay buffer (50 mM HEPES, 1 mM EDTA, 0.1% BSA, pH 7.4) so as to have a final DMSO concentration below 8% in each reaction. For the screening assay, 3 concentrations (1 &#956;M, 10 &#956;M, and 100 &#956;M) of test compounds, 15 jag of &#916;TM rFAAH or hRAAH and assay buffer were pre-incubated for 15 min at 25° C. AAMCA (20 &#956;M, 2×Km) was added prior to incubation at 25° C. and kinetic fluorescence reading every 20 minutes (&#955;ex=360/&#955;em=460) for 4 hours on a BioTek Synergy HT Microplate Reader.
9133	4	Fluorescent Assay	hABHD6:Initial Fluorescent Inhibition Assay (3-Point) In each well of a 96-well plate 8 &#956;L of membrane fraction containing full-length hABHD6 (1 &#956;g total protein) was mixed with 168 &#956;L of assay buffer (50 mM Tris-HCl, pH 7.6), and 20 &#956;L of diluted compound (diluted in a dilution buffer consisting of 50% DMSO/50% assay buffer v/v). Each plate was incubated at RT for 15 minutes before adding 4 &#956;L of 1 mM AHMMCE substrate (final concentration of 20 &#956;M AHMMCE and final volume of 200 &#956;L). The reaction was allowed to proceed for 1 hr at RT before the fluorescence was read at &#955;ex 360 nm and &#955;em 460 nm and the inhibition calculated. Each experiment can test 8 compounds at three concentrations (usually 10 &#956;M, 1 &#956;M, and 100 nM).
9134	1	Electrophysiological Assay	The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. Nav1.1, Nav1.5 and Nav1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.
9135	1	LANCE Ultra ULight Assay	1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100x, then this concentration was used as the first concentration, 3-fold diluted to make 10 serial concentrations; 1 &#956;L each serial dilution was then added to 19 &#956;L 1x reaction buffer to prepare 5x compound for use; 2 &#956;L 5x compound was transferred from 96-well plate to 384-well plate; compound-free control well was added with 2 &#956;L the following liquid: 1x reaction buffer with the addition of 1 &#956;L DMSO; 2 &#956;L 250 mM EDTA was added to the Min control well.2.1x reaction buffer was used to formulate the kinase, substrate and ATP into a 2.5xenzyme/substrate mixture and 2.5xATP solution respectively. In the experiment, the final concentration of CDK4/CycD3 kinase is 0.76 ng/&#956;L, the final concentration of ATP is 8 &#956;M; the final concentration of CDK6/CycD3 kinase is 0.5 ng/&#956;L, the final concentration of ATP is 50M; the final concentration of CDK2/CycA2 kinase is 0.86 ng/&#956;L, the final concentration of ATP is 1 &#956;M; the final concentration of CDK2/CycE1 kinase is 1.016 ng/&#956;L, the final concentration of ATP is 20M; 2.5xenzyme/substrate mixture was added to a 384-well plate, incubated at room temperature for 5 minutes; then added with 2.5xATP solution, reacted at room temperature for 30 minutes.3. LANCE Detection Buffer was used, 1xto prepare 2xLANCE Ultra Europium-anti-phospho-eIF4E-binding protein 1 (Thr37/46) for use. After the enzymatic reaction was continued for 30 minutes, 10 mM EDTA was added to 384-well plate and the mixture was reacted at room temperature for 5 minutes. Then LANCE Ultra Europium-anti-phospho-eIF4E-binding protein 1 (Thr37/46) was added, reacted at room temperature for 1 hour.4. The 384-well plate was placed in HERAEUS Multifuge X1R centrifuge, centrifuged at 2000 rpm for 2 minutes; data were measured on EnVision, 337 nM wavelength laser was used as the excitation light, test at RFU665 nM and RFU615 nM, and RFU665 nM/RFU615 nM x10000 was used as the final data for analysis.
9136	1	Kinase Assay	Measurements were performed in a reaction volume of 15 &#956;L using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 &#956;M peptide substrate were incubated in a reaction buffer compose of Hepes 50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of E&#956;-labeled antibody and XL-665 in 1 Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (&#955;Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls.
9137	1	Inhibitory Effect on the Enzyme In Vitro Assay	The enzyme activity was indicated by measuring the AMP/GMP expression and tracing AMP/GMP antibody binding based on fluorescence polarization in the biological assay.Reagents:Experimental Buffer Solution:10 mM Tris-HCl (pH 7.5), 5 mM MgCl2, 0.01% Brij 35, 1 mM DTT and 1% DMSO.Enzyme:Recombinant human PDE4B (Gen accession number: NM_002600; amino acid 305 end) was expressed by baculovirus in Sf9 insect cells using an N-terminal GST tag. MW=78 kDa.Enzyme Substrate:1 &#956;M cAMPDetection:Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracerOperation Procedures:i) Recombinant human PDE4B and the enzyme substrate (1 &#956;M cAMP) were dissolved in the newly-prepared buffer solution, respectively.ii) The PDE4B buffer solution defined as above was transferred into the reaction wells.iii) The compound which was dissolved in 100% DMSO was added to the reaction wells of the PDE4B buffer solution by ultrasonic oscillator (echo 550; nanoliter range) and incubated at room temperature for 10 minutes.iv) The enzymatic buffer solution was then added to the reaction wells defined as above to initiate the reaction.v) The reaction was incubated at room temperature for 1 hour.vi) The reaction was terminated by adding detecting mixture (Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer) and incubated for 90 minutes with slowly mixing. The measurement range of fluorescence polarization is Ex/Em=620/688.
9130	1	Inhibition Reporter Assay	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications.
9138	1	functional assay	Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not started. Each sample is tested at six concentrations of a test compound (e.g., 0.02, 0.05, 0.1, 0.25, 0.5 and 1.0 &#956;g/ml) and a negative control (no compound). After incubation for 48 h, the assay is ended, and all eggs and larvae present in each well are counted. The Hill equation with a variable slope is used to fit the dose-response relations using GraphPad Prism. The EC50-values and 95% confidence intervals are calculated.
9139	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay for Direct cAMP Measurement	Compounds were screened for agonists of the human prostacyclin (PGI2) receptor using the HTRF assay for direct cAMP measurement (Gabriel et al., ASSAY and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with human prostacyclin receptor. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog # CCL-61). An agonist of the prostacyclin receptor was detected in HTRF assay for direct cAMP measurement as a compound which increased cAMP concentration. HTRF assay also was used to determine EC50 values for prostacyclin receptor agonists.Principle of the Assay:The HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2. The tracer binding is visualized by a monoclonal anti-cAMP antibody labeled with Cryptate. The specific signal (i.e., fluorescence resonance energy transfer, FRET) is inversely proportional to the concentration of unlabeled cAMP in the standard or sample.Standard Curve:The fluorescence ratio (665 nm/620 nm) of the standards (0.17 to 712 nM cAMP) included in the assay was calculated and used to generate a cAMP standard curve according to the kit manufacturer&#39;s instructions. The fluorescence ratio of the samples (test compound or compound buffer) was calculated and used to deduce respective cAMP concentrations by reference to the cAMP standard curve.Setup of the Assay:The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer&#39;s instructions, in 20 &#956;L total volume per well in 384-well plate format (ProxiPlates; PerkinElmer, Fremont, Calif.; catalog #6008280). To each of the experimental wells was transferred 3000 recombinant CHO-K1 cells in 5 &#956;L assay buffer (phosphate buffered saline containing calcium chloride and magnesium chloride (Invitrogen, Carlsbad, Calif.; catalog #14040) supplemented with IBMX (100 &#956;M) and rolipram (10 &#956;M) (phosphodiesterase inhibitors; Sigma-Aldrich, St. Louis, Mo.; catalog #15879 and catalog # R6520, respectively) and 0.1% bovine serum albumin (BSA) fraction V (Sigma-Aldrich; catalog # A3059)), followed by test compound in 5 &#956;L assay buffer or 5 &#956;L assay buffer. The plate was then incubated at room temperature for 1 h. To each well was then added 5 &#956;L cAMP-d2 conjugate in lysis buffer and 5 &#956;L Cryptate conjugate in lysis buffer according to the kit manufacturer&#39;s instructions. The plate was then further incubated at room temperature for 1 h, after which the assay plate was read.Assay Readout:The HTRF readout was accomplished using a PHERAstar (BMG LABTECH Inc., Durham, N.C.) or EnVision (PerkinElmer, Fremont Calif.) microplate reader.
9140	1	In-Vitro CRAC Channel Inhibition Assay in Jurkat Cells	Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat #T9033) induced endoplasmic calcium release in Jurkat cells, (see Yasurio Yonetoky et. al Bio. & Med Chem. 14 (2006) 4750-4760). Cells were centrifuged and re-suspended in equal volumes ° f Ca2+ and Mg2+ free Hanks buffer and Fluo-8 NW dye (ABD Bioquest, Inc., Sunnyvale, Calif.) loading solution at 2×105 cells/100 &#956;l/well in 96-well black plate. Plate is incubated at 37° C./5% CO2 for 30 min followed by further 15 min incubation at room temperature. Test compounds (DMSO stocks diluted in Ca2+ and Mg2+ free Hanks buffer) at desired concentrations were added to the wells and incubated for 15 min. Thapsigargin (1 &#956;M final concentration) was added to the wells and incubated for 15 min to inhibit the Sarco-endoplasmic reticulum Ca2+ ATPase pump thereby depleting endoplasmic calcium and raising cytosolic calcium concentrations. Store-operated calcium entry was initiated by adding extracellular Ca2+ to a final concentration of 1.8 mM. Fluorescence was monitored over 5 min on a plate reader (BMG Labtech., Germany) with excitation at 485 nm and; an emission wavelength at 520 nm. Data were analyzed using GraphPad Prism. IC50 for each compound was determined based on the percent inhibition of thapsigargin-induced calcium influx into cells. 
9141	1	Nav 1.7In Vitro PX Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to &#8722;10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition. Three to five cells were tested per concentration, and IC50 curves were fitted to percent inhibition as a function of concentration.
9142	1	Plasma-Based Clot Lysis Assay	The clot-lysis test system configures the kinetics of clot formation and degradation in vitro and allows quantifying modulation of the process by selected test compounds.The test compounds were dissolved in 1% acetic acid and further complemented with an equal volume of DMSO. The resulting stock solutions were serially diluted in 0.5% acetic acid/50% DMSO. 1 &#956;L aliquots of these solutions were placed into 384 well microplates (Greiner, black, transparent bottom), followed by 30 &#956;L of diluted human citrated plasma (platelet-poor, final concentration: 5%; supplemented with fibrinogen, final concentration: 3 &#956;M; dilution buffer: 20 mM HEPES, 150 mM NaCl, 0.01% Brij (pH 7)). The reactions were started by addition of 20 &#956;L of CaCl2 (final concentration: 10 mM), and tPA (tissue plasminogen activator, final concentration: 0.2 nM) in dilution buffer, followed by an additional volume of 20 &#956;L dilution buffer for improved mixing. The reactions were incubated at 37° C. Clot formation and degradation was monitored spectrophotometrically by kinetic optical density measurements at 405 nm. IC50 values were determined by comparing the resulting time courses with the time course of a blank control reaction.
9143	1	Selective Inhibition Assays of Isolated Na,K-ATPase	To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes &#945;1&#946;1FXYD1, &#945;2&#946;1FXYD1, &#945;2&#946;2FXTD1 and &#945;2&#946;3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of &#945;/&#946;PFXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were &#945;1&#946;1, 21.5±5.3 &#956;moles/min/mg; &#945;2&#946;1, 18.7±1.8 &#956;moles/min/mg, and &#945;2&#946;3, 10.7±1.9 &#956;moles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: &#945;1&#946;1-1.25±0.05 mM, &#945;2&#946;1-2.7±0.14 mM and &#945;2&#946;3 6.4±0.50 mM, respectively.Selectivity of the compounds for various isolated isoforms of human Na,K-ATPase was determined essentially as described before [Katz, A. et al., J Biol Chem., 2010, 285(25), pp. 19582-19592].ATPase activity assays as well as titrations with NaCl, KCl and vanadate were performed as described in Lifshitz-2007 and Loayza-1998 using PiColorLock malachite green assay (Inova Bioscience). Inhibitor assays were performed as described in Katz-2010. [3H]ouabain binding and K+-[3H]digoxin displacement assays were performed as described in Katz-2010.The percent inhibition VCG/V0 was calculated and Ki values were obtained by fitting the data to the function VCG/V0=Ki/([CG]+Ki)+c (CG stands for cardiac glycoside). Inhibition was estimated in 3-5 separate experiments and average Ki values±standard error of the mean (SEM) were calculated. The ratios Ki &#945;1&#946;1/&#945;2&#946;1, &#945;1&#946;1/&#945;2&#946;2 and &#945;1&#946;1/&#945;2&#946;3 was calculated for each compound.
9144	1	Glucocorticoid Receptor Binding Assay	Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15898) according to the manufacturer&#39;s protocol. Briefly, compounds were serially diluted in DMSO then transferred into assay kit buffer at a 1:10 dilution. Compounds were further diluted 1:5 in assay kit buffer, and 10 &#956;l was transferred to a 384 well low volume black walled plate (Corning 4514). 5 &#956;l of 4×Fluormone GS Red stock solution and 5 ul of 4×GR full length stock solution were added to each well containing test compound, and plates were incubated protected from light at room temperature for 4 hours. Fluorescence Polarization (mP) was measured for each plate using an EnVision Multilabel Plate Reader (Perkinelmer #2104-0010), and data were analyzed using a four parameter curve fit to generate EC50 values.
9144	2	Progesterone Receptor Binding Assay	Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen TR-FRET Progesterone Receptor Coactivator Assay (Thermofisher cat # A15903) where the fluorescein-labeled coactivator peptide was replaced with Fluormone AL-Red (Thermofisher cat # PV4294) to improve assay signal. Briefly, compounds were serially diluted in DMSO, then transferred into assay buffer (Thermofisher cat # PV4301+5 mM DTT) at a 1:10 dilution. 10 &#956;l of compound was transferred to a 96 half-area black well plate (Corning cat #3694) in duplicate. 5 &#956;l of PR-LBD protein (4 nM stock in assay buffer; Thermofisher cat # P2899) was added to each well. In addition 5 &#956;l of a prepared mixture of Fluormone AL-Red (12 nM) and terbium-labeled anti-GST monoclonal antibody (mAb) (20 nM; Thermofisher cat # PV3550) in assay buffer was also added to each well. Plates were incubated at room temperature (RT) for 2 hours, and then TR-FRET emission ratio was measured using an EnVision Multilabel Plate Reader (Perkinelmer #2104-0010).
9144	3	Estrogen Receptor Binding Assay	Small molecules were tested for estrogen receptor (ER) alpha binding using a modification of the LanthaScreen TR-FRET Estrogen Receptor Alpha Coactivator Assay (Thermofisher cat # A15885) where the fluorescein-labeled coactivator peptide was replaced with Fluormone ES2 Green (Thermofisher cat # PV6045) to improve assay signal. Briefly, compounds were serially diluted in DMSO then transferred into assay buffer (Thermofisher cat # PV4295+5 mM DTT) at a 1:10 dilution. 10 &#956;l of compound was transferred to a 96 half-area black well plate (Corning cat #3694) in duplicate. 5 &#956;l of ER-LBD protein (5 nM stock in assay buffer; Thermofisher cat #4542) was added to each well. In addition 5 &#956;l of a prepared stock of Fluormone ES2 Green (12 nM) and terbium-labeled anti-GST monoclonal antibody (mAb) (8 nM; Thermofisher cat # PV3550) in assay buffer was also added to each well. Plates were incubated at room temperature (RT) for 4 hours, and then TR-FRET emission ratio was measured using an EnVision Multilabel Plate Reader (Perkinelmer #2104-0010).
9144	4	Androgen Receptor Binding Assay	Small molecules were tested for androgen receptor (AR) binding using a modification of the LanthaScreen TR-FRET Androgen Receptor Coactivator Assay (Thermofisher cat # A15878) where the fluorescein-labeled coactivator peptide was replaced with Fluormone AL-Red (Thermofisher cat #PV4294) to improve assay signal. Briefly, compounds were serially diluted in DMSO then transferred into assay buffer (Thermofisher cat # PV4295+5 mM DTT) at a 1:10 dilution. 10 &#956;l of compound was transferred to a 96 half-area black well plate (Corning cat #3694) in duplicate. 5 &#956;l of AR-LBD protein (5 nM stock in assay buffer; Thermofisher cat #3009) was added to each well. In addition 5 &#956;l of a prepared stock of Fluormone AL-Red (20 nM) and terbium-labeled anti-GST monoclonal antibody (mAb) (30 nM; Thermofisher cat # PV3550) in assay buffer was also added to each well. Plates were incubated at room temperature (RT) for 6 hours then TR-FRET emission ratio was measured using an EnVision Multilabel Plate Reader (Perkinelmer #2104-0010)
9145	1	Inhibition of MMPs	It has been observed that 50 and 100 &#956;M concentrations of curcumin decreased TNF&#945; production by endotoxin-stimulated human monocytes (HMs) in culture by 80-90% (lower concentrations of curcumin, 10 and 20 &#956;M, had no effect). However, this inhibitory effect was associated with some precipitation of the curcumin in cell culture and with significant cytotoxicity. It was hypothesized that increasing the solubility of curcumin will: (i) enhance its efficacy as an inhibitor of cytokine expression, (ii) reduce its cytotoxicity, and (iii) preserve (perhaps even enhance; see below) its potency, as an MMP inhibitor (MMPI) compound, which was found to be similar to that of the Zn++ chelating compound, 1,10-O-phenanthroline (FIG. 1). However, it should be noted that excessive inhibition of MMP activity may not be desirable therapeutically because a minimal, or basal, level of MMPs may be necessary for optimal defense of the host.
9146	1	UCHL1 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 (&#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. UCHL1 was diluted in reaction buffer (20 mM Tris, pH 7.5, 100 mM NaCl, 0.05% Tween 20, 0.5 mg/ml BSA, 5 mM beta mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted UCHL1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
9146	2	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
9147	1	FGFR1 Enzyme Inhibition	The inhibitory activities of compounds of the invention against FGFR1 (FGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR1 protein (3.12 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was then initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9147	2	FGFR3 Enzyme Inhibition	The inhibitory activities of compounds of the invention against FGFR3 (FGFR3 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR3 protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (Ala6, Glu2, Lys5, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9147	3	PDGFR alpha Enzyme Inhibition	The inhibitory activities of compounds of the invention against PDGFR&#945; (PDGFR&#945; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#945; protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9147	4	PDGFR beta Enzyme Inhibition	The inhibitory activities of compounds of the invention against PDGFR&#946; (PDGFR&#946; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#946; protein (6.25 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9147	5	VEGFR1 Enzyme Inhibition	The inhibitory activities of compounds of the invention against VEGFR1 (VEGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR1 protein (12.5 ng/mL, 2 &#956;L), substrate (IGFR1Rtide, 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9147	6	EGFR2 Enzyme Inhibition	The inhibitory activities of compounds of the invention against VEGFR2 (VEGFR2 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR2 protein (1.56 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
9148	1	Evaluation of Binding Activity for Human TrkA Protein	Measurement was carried out using TrkA LanthaScreen (registered trademark) Eu Kinase Binding Assay (ThermoFisher SCIENTIFIC). To a 384 well plate (Corning), 2.5 &#956;L of the test compound having various concentrations and diluted with Kinase buffer (ThermoFisher SCIENTIFIC) and 2.5 &#956;L of 15 nM TrkA enzyme (ThermoFisher SCIENTIFIC) were added. Moreover, 5 &#956;L of 3 nM Eu-anti-His Tag antibody (ThermoFisher SCIENTIFIC) and 5 &#956;L of 30 nM Kinase (registered trademark) Tracer 236 (ThermoFisher SCIENTIFIC) were added, followed by reaction at room temperature for 60 minutes. After the reaction, the fluorescence intensity of Europium (Emission wavelength 615 nm) and TR-FRET (Emission wavelength 665 nm) with an excitation wavelength of 340 nm were measured with EnVision 2100 (PerkinElmer) to calculate the fluorescence ratio as the amount of the test compound and the TrkA enzyme bonded. The inhibitory activity (IC50 value) of each test compound was calculated with the fluorescence ratio of the well to which a solvent was added instead of the test compound being 0% and the fluorescence ratio of the well without addition of the TrkA protein being 100%.The TrkA inhibitory activity of the test compound can be evaluated by IC50 value, and Table 1 shows the compounds having an IC50 value of 50 nmol/L or less as A (activity is very high), the compounds having an IC50 value of more than 50 nmol/L and 1000 nmol/L or less as B (activity is high), and the compounds having an IC50 value of more than 1000 nmol/L as C (activity is low).
9149	1	Kinase Assay	Measurements were performed in a reaction volume of 15 uL using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 uM peptide substrate were incubated in a reaction buffer compose of Hepes 50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of Eu-labeled antibody and XL-665 in 1 Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (&lamda;Ex) of 330 nm and detection wavelengths (&lamda;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls.
9150	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher, ATP was purchased from Sigma , HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass). Area plate was purchased from Perkin Elmer. HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, luM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. 
9151	1	Inhibition Assay	Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-1 activity as a function of the test compound concentration.
9151	2	Inhibition Assay	Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated with the test compound at various concentrations for 1 hour at room temperature in 10 to 100 mM acetate buffer, pH 4.5, containing 0.1% CHAPS. Synthetic fluorescence-quenched peptide substrate, derived from the sequence of APP and containing a suitable fluorophore-quencher pair, is added to a final concentration of 1 to 5 &#956;M, and the increase in fluorescence is recorded at a suitable excitation/emission wavelength in a microplate spectro-fluorimeter for 5 to 30 minutes in 1-minute intervals. IC50 values are calculated from percentage of inhibition of BACE-2 activity as a function of the test compound concentration.
9152	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher (Catalogue # PV4011), ATP was purchased from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue # #6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. 
9153	1	Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responsed test compound or dmso vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (&#955;ex=340 nm, acceptor &#955;Em=520 nm, and donor &#955;Em=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis.
9154	1	Binding Assay	S1P1 membrane is prepared from CHO-K1 G&#945;qi5 cells expression full-length human S1P1. Scintillation proximity assay (SPA) is performed by incubating membranes, GTP&#947;35S, and compounds at various concentrations for 60 minutes. Wheat germ agglutinin-coated SPA beads are added and incubated for 60 minutes before centrifugation and scintillation counting.
9155	1	Inhibition Ligand Binding Assay	cAMP treated U937 cells expressing C5aR were centrifuged and resuspended in assay buffer (20 mM HEPES pH 7.1, 140 mM NaCl, 1 mM CaCl2, 5 mM MgCl2, and with 0.1% bovine serum albumin) to a concentration of 3×106 cells/mL. Binding assays were set up as follows. 0.1 mL of cells was added to the assay plates containing 5 &#956;L of the compound, giving a final concentration of 2-10 &#956;M each compound for screening (or part of a dose response for compound IC50 determinations). Then 0.1 mL of 125I labeled C5a (obtained from Perkin Elmer Life Sciences, Boston, Mass.) diluted in assay buffer to a final concentration of 50 pM, yielding 30,000 cpm per well, was added, the plates sealed and incubated for approximately 3 hours at 4° C. on a shaker platform. Reactions were aspirated onto GF/B glass filters pre-soaked in 0.3% polyethyleneimine (PEI) solution, on a vacuum cell harvester (Packard Instruments; Meriden, Conn.). Scintillation fluid (40 &#956;l; Microscint 20, Packard Instruments) was added to each well, the plates were sealed and radioactivity measured in a Topcount scintillation counter (Packard Instruments). Control wells containing either diluent only (for total counts) or excess C5a (1 &#956;g/mL, for non-specific binding) were used to calculate the percent of total inhibition for compound. 
9156	1	Competitive Binding Assay	NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200(ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard)
9156	2	Binding Assay	NK1: The following radioligand: [3H] substance P (PerkinElmer Cat#NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). 
9156	3	Binding Assay	NK2: Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). 
9156	4	Inhibiton Assay 	hERG: The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IKr current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG).Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 &#956;M; 3 &#956;M; 10 &#956;M; 30 &#956;M) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models.The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from &#8722;80 mV to a maximum value of +40 mV, starting with &#8722;40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to &#8722;55 mV, after each of these incremented steps, for 1 second and finally repolarized to &#8722;80 mV for 1 second.
9157	1	In Vitro Enzyme Activity Assay	The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) and transformed into SCS1 (Stratagene, CA, USA) to amplify plasmid DNA. For the overexpression of TPH proteins, the constructs were transformed into Rosetta (DE3) (Novagen /EMD Millipore, Mass., USA) and cultivated in terrific broth (TB) medium (AppliChem, Darmstadt, Germany) at 37° C. When the bacterial cultures reached an OD600&#8776;2, expression was induced with 0.5 mM IPTG (AppliChem, Darmstadt, Germany) over night at 17° C. The purification of soluble proteins started with sonication-mediated cell disruption in lysis buffer (1×PBS pH 7.4, 0.5 M NaCl, 5% Glycerol+CHAPS, DTT, PMSF, benzonase), followed by affinity purification (MBPTrap, GE Healthcare, UK) and gel filtration (26/60 Superdex 200 prep grade, GE Healthcare, UK), according to the manufacturer&#39;s protocol. The quality of protein expression and solubility was controlled by SDS-PAGE and Coomassie blue staining.The enzymatic reaction was carried out in black 96-well flat bottom plates (Corning GmbH, Wiesbaden). TPH1 and TPH2 activities were measured in a reaction mixture containing 50 mM 4-Morpholineethanesulfonic acid (MES), pH 7.0, 40 &#956;M tryptophan, 200 mM ammonium sulfate, 25 &#956;M ferrous ammonium sulfate, 50 &#956;M tetrahydrobiopterin, 25 &#956;g/ml catalase, and 7 mM DTT. The reactions were initiated by adding TPH1 or TPH2 to a final concentration of 5 &#956;g/ml. Initial velocity of the reactions was determined by following the change of fluorescence at 330 nm (excitation wavelength=300 nm) (Infinite M200, Tecan, Crailsheim).
9158	1	Wnt activity assay	Reporter cell lines were generated by stably transducing cells of cancer cell lines (e.g., colon cancer) with a lentiviral construct that include a Wnt-responsive promoter driving expression of the firefly luciferase gene.Lentiviral constructs were made in which the SP5 promoter, a promoter having eight TCF/LEF binding sites derived from the SP5 promoter, was linked upstream of the firefly luciferase gene. The lentiviral constructs included a hygromycin resistance gene as a selectable marker. The SP5 promoter construct was used to transduce SW480 cells, a colon cancer cell line having a mutated APC gene that generates a truncated APC protein, leading to de-regulated accumulation of &#946;-catenin. A control cell line was generated using another lentiviral construct containing the luciferase gene under the control of the SV40 promoter which does not require &#946;-catenin for activation.Cultured SW480 cells bearing a reporter construct were distributed at approximately 10,000 cells per well into 384 well multiwell plates. Compounds were then added to the wells in half-log dilutions using a three micromolar top concentration. A series of control wells for each cell type received only buffer and compound solvent. Twenty-four hours after the addition of compound, reporter activity for luciferases was assayed, for example, by addition of the BrightGlo luminescence reagent (Promega) and the Victor3 plate reader (Perkin Elmer). Readings were normalized to DMSO only treated cells, and normalized activities were then used for the IC50 calculations.
9158	2	DYRK1A activity assay	SH-SY5Y cells are cultured in DMEM/F-12 medium supplemented with 15% FBS, Non-essential Amino Acid and Penicillin/Streptamycin. Two days before treatment, cells are seeded onto 96 well plates at 20e5 cells/well.DMSO-resuspended compounds are dispensed to 8 wells as a serial titration from 10 &#956;M to 4.6 nM final and cells are exposed overnight (16-18 h) before harvest. Wells are visualized checked for cell death or change in morphology and supernatants are tested for cytotoxicity by measurement of lactate dehydrogenase release (LDH, CytoToxOne kit, Progema) if necessary. As controls, commercially available DYRK1A inhibitors, Harmine and Indy were shown to have good DYRK1A inhibition in the kinase assay with no CDK1 activity (EC50 18 and 53n M respectively, 6 &#956;M for CDK1) but weak EC50 in the Tau assay: about 10 &#956;M for Harmine and 30 &#956;M for Indy.Cells are lyzed with RIPA buffer complemented with phosphatase and protease inhibitors (Thermo Scientific) then lysates are sonicated and spun down at 12,000 g for 10 min to remove any cellular debris. Lysates are then either directly tested for pSer396 by ELISA (Life Technology, Kit KHB7031) or loaded on NuPage Bis-Tris gels for western blot analysis. Colorimetric detection of ELISA signal is performed by Cytation3 plate reader (Biotek) and the chemoluminecence signal for HRP-linked antibodies used in western blotting is detected using a Carestream Image Station. The same pSer396 antibody is used for detection of pTau in both assays.Blot densitometry for pSer396 and beta-actin are analyzed using ImageJ (NIH) and pSer396/Total Tau ELISA signal was used to plot, draw the curve fitting, and determine each compounds EC50 in Prism (GraphPad).
9158	3	Inhibition of fibrosis	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 8-point dose-response curves from 15 &#956;M to 5 nM) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 384-well clear bottom assay plates (Greiner Bio-One) with appropriate DMSO backfill for a final DMSO concentration of 0.1%. LL29 cells were plated at 1,000 cells/well in 50 &#956;l/well serum free F12 medium. One hour after addition of the cells, TGF-&#946;1 (Peprotech; 10 ng/ml) was added to the plates to induce fibrosis (ref 1 and 2 above). Wells untreated with TGF-&#946;1 were used as control for normalization and calculating IC50 values. Cells were incubated at 37° C. and 5% CO2 for 3 days. Cells were fixed using 4% formaldehyde (Electron Microscopy Sciences), washed 3 times with PBS followed by blocking and permeabilization using 3% Bovine Serum Albumin (BSA; Sigma) and 0.3% Triton X-100 (Sigma) in PBS. Cells were then stained with antibody specific to &#945;-smooth muscle actin (&#945;SMA; Abcam) (ref. 1 and 2 above) in 3% Bovine Serum Albumin (BSA; Sigma) and 0.3% Triton X-100 (Sigma) in PBS, and incubated overnight at 4° C. Cells were then washed 3 times with PBS, followed by incubation with Alexa Flor-647 conjugated secondary antibody (Life Tech) and DAPI at room temperature for 1 hour. Cells were then washed 3 times with PBS and plates were sealed for imaging. &#945;SMA staining was imaged by excitation at 630 nm and emission at 665 nm and quantified using the Compartmental Analysis program on the CellInsight CX5 (Thermo Scientific). % of total cells positive for &#945;SMA were counted in each well and normalized to the average of 8 wells treated with TGF-&#946;1 on the same plate using Excel (Microsoft Inc.). The normalized averages (fold change over untreated) of 6 replicate wells for each compound concentration were used to create dose-responses curves and IC50 values were calculated using non-linear regression curve fit in Prism (GraphPad).
9159	1	SMYD3 Enzyme Assays on MEKK2 Protein Substrate 	The assays were an performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a 384-well white opaque OptiPlate using a Bravo automated liquid handling platform outfitted with a 384-channel head (Agilent Technologies), DMSO (1 ul) was added to Columns 11, 12, 23. 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD3, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD3 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD3 for 30 min at room temperature, then a cocktail (10 ul) containing SAM and MEKK2 was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD3 was 0.4 nM, 3H-SAM was 8 nM, MEKK2 was 12 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 100 uM, which dilutes the 3H-SAM to a level where its incorporation into MEKK2 is no longer detectable. Radiolabeled MEKK2 was detected using a scintillation proximity assay (SPA). 10 uL of a 10 mg/mL solution of SPA beads in 0.5 M citric acid was added and the plates centrifuged at 600 rpm fort min to precipitate the radiolabeled MEKK2 onto the SPA beads. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled MEKK2 as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).% &#8290; &#8290; inhibition &#8290; &#8290; calculation % &#8290; &#8290; inh = 100 - ( dpm cmpd - dpm min dpm max - dpm min ) × 100Where dpm=disintegrations per minute, cmpd=signal in assay well, and min and max are the respective minimum and maximum signal controls.Four &#8290; - &#8290; parameter &#8290; &#8290; &#8290; IC &#8290; &#8290; 50 &#8290; &#8290; fit Y = Bottom + ( Top - Bottom ) ( 1 + ( X IC 50 ) &#8290; &#8290; Hill &#8290; &#8290; CoefficientWhere top and bottom are the normally allowed to float, but may be fixed at 100 or 0 respectively in a 3-parameter fit. The Hill Coefficient normally allowed to float but may also be fixed at 1 in a 3-parameter fit. Y is the % inhibition and X is the compound concentration.
9160	1	Fluorescence Assay for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1, Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC50 were determined using a 4-parameter logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener). A standard DPP1 inhibitor, 4-amino-N-[(15)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control and 1% (v/v) DMSO was used as a negative control in the assay. [modified from Kam, C M, Gotz, M G, Koot, G, McGuire, M J, Thiele, D L, Hudig, D & Powers, J C (2004). Arch Biochem Biophys, 427, 123-134 & McGuire, M J, Lipsky, P E & Thiele, D L (1992). Arch Biochem Biophys, 295, 280-288]. 
9161	1	c-abl Kinase Assay	ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(&#946;-aminoethyl ether)-N,N&#8242;,N&#8242;-tetraacetic acid (EGTA), tween-20, 1,4-dithiothreitol (DTT) and dimethyl sulfoxide (DMSO) were purchased from Sigma-Aldrich. HEPES buffer was purchased from Gibco. ABL1 kinase and Abltide were purchased from Signalchem.c-abl kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/&#956;l) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Abltide (0.01 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (50 mM HEPES, 7.5; 10 mM MgCl2; 1 mM EGTA; 0.05% BSA; 0.01% Tween-20; 2 mM DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 30-min. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
9161	2	c-KIT Kinase Assay	ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), Manganese(II) chloride (MnCl2), Bovine serum albumin (BSA) and dimethylsulfoxide (DMSO) were purchased from Sigma-Aldrich. Tris-HCl buffer was purchased from Biosesang. c-Kit kinase and Poly (4:1 Glu, Tyr) Peptide were purchased from Signalchem.c-Kit kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Poly (4:1 Glu, Tyr) (250 ng/&#956;l) and 5 &#956;L of ATP (250 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 2 mM MnCl2; 50M DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 2 hr. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at 30° C. for 45 min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30 min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
9161	3	PDGFRalpha Kinase Assay	ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), Bovine serum albumin (BSA) and dimethylsulfoxide (DMSO) were purchased from Sigma-Aldrich. Tris-HCl buffer was purchased from Biosesang. PDGFR&#945; kinase and Poly (4:1 Glu, Tyr) Peptide were purchased from Signalchem.PDGFR&#945; kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, Recombinant human PDGFR&#945; (40 ng) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Poly (4:1 Glu, Tyr) (0.5 &#956;g/&#956;l) and 5 &#956;L of ATP (125 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 &#956;M DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 1 hr. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 45 min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
9162	1	VEGFR2 Kinase Assay	Biochemical KDR kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g/well of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS +0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 2.7 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20 mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain KDR protein (BPS Bioscience, San Diego, Calif.). Following a 15 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
9162	2	VEGFR2 Cellular Assay	Automated FLIPR (Fluorometric Imaging Plate Reader) technology was used to screen for inhibitors of VEGF induced increases in intracellular calcium levels in fluorescent dye loaded endothelial cells. HUVEC (human umbilical vein endothelial cells) (Clonetics) were seeded in 384-well fibronectin coated black-walled plates overnight @ 37° C./5%CO2. Cells were loaded with calcium indicator Fluo-4 for 45 minutes at 37° C. Cells were washed 2 times (Elx405, Biotek Instruments) to remove extracellular dye. For screening, cells were pre-incubated with test agents for 30 minutes, at a single concentration (10 uM) or at concentrations ranging from 0.0001 to 10.0 uM followed by VEGF165 stimulation (10 ng/mL). Changes in fluorescence at 516 nm were measured simultaneously in all 384 wells using a cooled CCD camera. Data were generated by determining max-min fluorescence levels for unstimulated, stimulated, and drug treated samples. IC50 values for test compounds were calculated from % inhibition of VEGF stimulated responses in the absence of inhibitor.
9162	3	PDGFRbeta Kinase Assay	Biochemical PDGFR&#946; kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 &#956;g of poly-Glu-Tyr (4:1) in 10 mM Phosphate Buffered Saline (PBS), pH 7.4. The coated plates were washed with 2 mls per well PBS +0.05% Tween-20 (PBS-T), blocked by incubation with PBS containing 1% BSA, then washed with 2 mls per well PBS-T prior to starting the reaction. Reactions were carried out in 100 &#956;L reaction volumes containing 36 &#956;M ATP in kinase buffer (50 mM Hepes buffer pH 7.4, 20mM MgCl2, 0.1 mM MnCl2 and 0.2 mM Na3VO4). Test compounds were reconstituted in 100% DMSO and added to the reaction to give a final DMSO concentration of 5%. Reactions were initiated by the addition 20 ul per well of kinase buffer containing 200-300 ng purified cytoplasmic domain PDGFR-b protein (Millipore). Following a 60 minute incubation at 30° C., the reactions were washed 2 mls per well PBS-T. 100 &#956;l of a monoclonal anti-phosphotyrosine antibody-peroxidase conjugate diluted 1:10,000 in PBS-T was added to the wells for 30 minutes. Following a 2 mls per well wash with PBS-Tween-20, 100 &#956;l of O-Phenylenediamine Dihydrochloride in phosphate-citrate buffer, containing urea hydrogen peroxide, was added to the wells for 7-10 minutes as a colorimetric substrate for the peroxidase. The reaction was terminated by the addition of 100 &#956;l of 2.5N H2SO4 to each well and read using a microplate ELISA reader set at 492 nm. IC50 values for compound inhibition were calculated directly from graphs of optical density (arbitrary units) versus compound concentration following subtraction of blank values.
9162	4	PKR KinaseGlo Assay	Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, pH 7.2, 10 mM KCl, 10 mM MgCl2, 10% glycerol). Preactivated PKR is dispensed to 384/96-well black plates at 3.125/12.5 uls/well using the liquid handler Janus. Appropriate dilutions of inhibitors are added to 384/96-well plate followed by 6.6 uM ATP (final) and incubated for 10 minutes at room temperature. The remaining ATP/well is determined by adding 6.25/25 uls/well Kinase-Glo assay mix (Promega) and luminescence is measured on EnVision luminescence plate reader (integration time, 0.2 sec; Perkin-Elmer, Mass., USA). The % inhibition for the compounds is calculated using ATP only (100% inhibition) and PKR +ATP (0% inhibition). IC50 values are determined by plotting % activity versus inhibitor concentration. Curves are fitted using Activity base XLfit (IDBS, UK).
9163	1	human P2X7 channel assay by automated patch-clamp	In order to directly monitor the block of P2X7 channel, an electrophysiological assay was developed and implemented on the QPatch16X automated electrophysiology instrument.HEK-293 cells expressing the P2X7 channels were cultured in modified EMEM.72 hours before experiment, 5 million cells were seeded onto T225 flasks. Just before the experiment cells were washed twice, detached from the flask with trypsin-EDTA, re-suspended in the suspension solution and placed on the QPatch 16x.The compounds (20 mM in a 100% DMSO) stored at &#8722;20° C. were prepared the day of the experiment (a first dilution 1:20 in 100% DMSO to prepare a 1 mM stock solution, then a 1 microM solution in external solution+a serial dilution 1:10).The standard whole-cell voltage clamp experiments were performed at room temperature. For these experiments the multihole technology was used and the data were sampled at 2 KHz.The intracellular solution contained (mM) 135 CsF, 10 NaCl, 1 EGTA, 10 HEPES, (pH 7.2 with CsOH) whereas the extracellular contained (mM) 145 NaCl, 4 KCl, 0.5 MgCl2, 1 CaCl2, 10 HEPES, 10 Glc (pH 7.4 with NaOH).After establishment of the seal and the passage in the whole cell configuration, the cells were held at &#8722;80 mV. The P2XR7 current was evoked by applying 100 microM of BzATP alone (4 times) and then in the presence increasing concentrations of the compound under investigation (1, 10, 100 and 1000 nM).The pre-incubation periods 5 to 8 contain increasing concentrations of the compound of interest (1, 10, 100 and 1000 nM), as illustrated in FIGURE.The maximal inward current evoked by BzATP in absence or presence of increasing concentrations of the compounds under investigation was measured and normalized. The potential modulatory effect was measured as % of control and as IC50 determined fitting the dose-response curves data with the following equation:Y=100/(1+10^((Log IC50-X)*HillSlope))where:X: log of concentrationY: normalized response, 100% down to 0%, decreasing as X increases.LogIC50: same log units as XHillSlope: slope factor or HS, unitless.
9163	2	Screen Quest Fluo-8 No Wash Calcium Assay Kit	Ca2+ influx was measured in HEK-293 cells stably transfected with the receptor using Screen Quest Fluo-8 No Wash Calcium Assay Kit (AAt Bioquest ). Briefly, once inside the cells, the lipophilic blocking groups of Fluo-8 are cleaved by non-specific cell esterases, resulting in a negatively-charged fluorescent-dye that stays inside cells. Its fluorescence increases upon binding to calcium. When HEK-293/P2X7 cells were stimulated with BzATP, Ca2+ entered the cells and the fluorescence of Fluo-8 NW increaseed. The dye absorption spectrum was compatible with excitation at 488 nm by argon laser sources and its emission wavelength was in the range of 515-575 nm.To routinely test the compounds, HEK-293 cells stably transfected with rat P2X7R were seeded overnight in growth medium at 10000, 15000 or 20000 cells/well in 384-well plate, according to the level of response after thawing. 24 hours later, the medium was removed and the cells were pre-loaded at RT for 1 hour with 20 &#956;L/w of Fluo-8 NW prepared in Tyrode 0.3 mM Ca2+/Mg2+-free. Compounds of the invention were tested at 8 concentrations (4 replicates for each concentration): 10-3.16-1-0.316-0.1-0.0316-0.01 and 0.00316 &#956;M, in the same plate.Compounds were tested at FLIPRTETRA according to the following method: first injection at FLIPRTETRA of 10 &#956;L of 3× test compound (in Tyrode&#39;s buffer 0.3 mM Ca2+/Mg2+-free+DMSO 0.5% final concentration) 5&#8242; incubation second injection at FLIPRTETRA of 15 &#9633;L of 3× BzATP at ECK) (in Tyrode&#39;s buffer 0.3 mM Ca2+/Mg2+-free+BSA 0.0003% final concentration) Fluorescence recording for 3&#8242;Between one plate and the following, tips were extensively washed with water, then with 100% DMSO and finally with water to avoid carry-over inside the tips.The effect of the test compounds was measured as percent inhibition vs a reference antagonist and IC50 values were calculated accordingly.
9164	1	Human ATX Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9165	1	Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1,10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9165	2	Src Homology Region 2 Domain-Containing Phosphatase (SHP) Assay	U2OS/PD-L1 cells (DiscoveRx Corporation) were maintained in McCoy&#39;s 5A medium with addition of 10% FBS, 0.25 &#956;g/ml Puromycin. After removing the culture media, the cell medium was replaced with assay medium (RPMI1640 medium with 1% FBS). The U2OS/PD-L1 cells were then added in 384-well black clear bottom assay plate (CELLCOAT Tissue Culture Plates, Greiner Bio-One) at 5000 cells per well in 20 &#956;L assay medium. Test compounds were prepared by serial dilution in DMSO and 125 nL compound were first transferred to the 384 REMP plate well (Thermofisher) by ECHO liquid handler (Labcyte) followed with addition of 27.5 &#956;L assay medium. 5 &#956;L/well compounds in the assay medium were transferred to the cell plate with 0.05% DMSO in the final assay at 0.5 &#956;M. Jurkat-PD-1-SHP cells (DiscoveRx Corporation) were cultured in RPMI1640 medium supplemented with 10% FBS, 250 &#956;g/ml Hygromycin B, 500 &#956;g/ml G418. After the replacement of culture media with assay medium, 5,000 Jurkat-PD-1-SHP cells in 20 &#956;L were dispensed into each well. The assay plate was incubated at 37° C., 5% CO2 for 2 hours before 2.5 &#956;L PathHunter reagent 1 (DiscoveRx Corporation) were added to each well. The assay plate was shaken for 1 min at 350 rpm in the dark followed with addition of 10 &#956;L PathHunter reagent 2 (DiscoveRx Corporation). Chemiluminescent signal was recorded with TopCount reader (Perkin Elmer) after incubation at room temperature for 1 hour. Wells with DMSO were served as the positive controls and wells containing no cells were used as negative controls. IC50 determination was performed by fitting the curve of percentage of control activity versus the log of the compound concentration using the GraphPad Prism 6.0 software.
9165	3	Nuclear Factor of Activated T-Cells (NFAT) Assay	PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 &#956;g/ml Hygromycin B, 250 &#956;g/ml Geneticin (G418). Jurkat-PD-1-NFAT effector cells (Promega) were cultured in RPMI 1640 medium supplemented with 10% FBS, 100 &#956;g/ml Hygromycin B, 500 &#956;g/ml G418. The culture media of PD-L1 aAPC/CHO-K1 cells were first replaced with assay medium (RPMI1640 medium with 1% FBS). The PD-L1 aAPC/CHO-K1 cells were then added in a white 384-well white clear bottom assay plate (CELLCOAT Tissue Culture Plates, Greiner Bio-One) at 8000 per well in 10 &#956;L assay medium. Test compounds were prepared by serial dilution in DMSO and 0.8 &#956;L test compounds in DMSO were first transferred to the 384 REMP plate well (Thermofisher) by PlateMate Plus (Thermofisher) followed with addition of 50 &#956;L plating medium. 5 &#956;L compounds in the assay medium were transferred to the cells with 0.4% DMSO in the final assay at 2 &#956;M. After removing the culture media, 10,000 Jurkat-PD-1-NFAT effector cells in 5 &#956;L assay medium was dispensed into each well. The assay plate was incubated at 37° C., 5% CO2 for 24 hours. After the assay plate was equilibrated to room temp for 15 minutes, 20 L/well of Bio-Glo reagent (Promega) were added. After 8 minutes incubation at room temperature, luminescence was read at with Pherastar microplate reader (BMG Labtech). The fold of induction (FOI) was calculated based on the ratio of luminescence normalized to the DMSO wells within each assay plate. The maximum percentage of induction was reported based on the ratio between the highest FOI of each compound and the maximum FOI of control compound within each assay plate. Wells with DMSO were served as the negative controls and wells containing control compound with the highest FOI were used as positive controls. EC50 determination was performed by fitting the curve of percent control activity versus the log of the compound concentration using the GraphPad Prism 6.0 software.
9166	1	Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity	Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature (Eddy W. Yue, et al. J. Med. Chem. 2009, 52, 7364-7367), 20 nM IDO-1, 2 mM D-tryptophan, 20 mM ascorbic acid, 3.5M methyl blue and 0.2 mg/mL antioxidant enzyme were sequentially added to 50 mM potassium phosphate buffer at room temperature. Due to the formation of N-formylkynurenine, the reaction rate was recorded by the increasing absorbance of the solution at 321 nm. IC50 values were calculated using Prism GraphPad software.
9167	1	gamma-Secretase Assay	Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 &#956;l in 96-well plates in IMDM media containing 10% FCS, 0.2 mg/l Hygromycin B and incubated at 37° C., 5% CO2.3-4 hr post plating, compounds are a diluted in media and 50 &#956;l is added as 1.5-fold concentrate to achieve the final concentration. Compound incubation is performed for 24 hr. Final doses typically range from 4 &#956;M down to 0.0013 &#956;M in half-log steps resulting in an eight point dose response curve. Appropriate controls using vehicle only and reference compound were applied to this assay. The final concentration of Me2SO was 0.4%.After incubation at 37° C., 5% CO2, the supernatant was subjected to quantification of secreted A&#946;42 by the means of an AlphaLisa assay kit (Human Amyloid beta 1-42 Kit: Cat # AL203C, Perkin Elmer). 20 &#956;l of the cell culture supernatant was transferred to an assay plate. Then 10 &#956;l of a mixture of the AlphaLisa coupled capture antibody and the biotinylated detection antibody was added and incubated for 3 hours at room temperature while softly shaking the assay plate. After a further addition of 20 &#956;l of the Donor beads the assay plate was incubated for 30 min at room temperature and constant shaking without exposure to direct light. The assay plate was then read on a Paradigm AlphaLisa Reader using the build-in program with excitation at 680 nm and emission at 570 nm. The measured signals were then used to calculate IC50 values for inhibition of A&#946;42 secretion by nonlinear regression fit analysis using XLfit 5.3 software (IDBS).
9168	1	Biological Assays	Human PDE4A3 coding sequence (amino acids 2 to 825 from the sequence with accession number NP_001104779) was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include an N-terminal His6 affinity tag and a c-terminal FLAG affinity tag to aid in purification. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection. Insect cell paste was lysed and after centrifugation, the supernatant was batch bound to Ni-NTA agarose (GE Healthcare) and eluted with 250 mM imidazole. This eluate was diluted with FLAG buffer (50 mM Tris HCL pH 7.5, 100 mM NaCl, 5% Glycerol, 1 mM TCEP with protease inhibitors) and batch bound to ant-FLAG M2 agarose (Sigma) overnight at 4° C. The agarose was packed into a column, washed with buffer and eluted with buffer containing elute using 250 ug/ml Flag-peptide. Fractions were analyzed using SDS-PAGE Coomassie blue staining and pooled based on purity. Pooled fractions were chromatographed on a S200 120 ml column (GE Healthcare) in 50 mM Tris HCL pH 7.5, 150 mM NaCl, 10% Glycerol, 2 mM TCEP with protease inhibitors. PDE4A3 fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, dialyzed against 50 mM Tris HCL pH 7.5, 100 mM NaCl, 20% Glycerol, 2 mM TCEP, frozen and stored at &#8722;80° C.Human PDE4B1 coding sequence (amino acids 122 to 736 from the sequence with accession number Q07343) with the mutations resulting in the amino acid substitutions S134E, S654A, S659A, and S661A was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include a N-terminal His6 affinity tag to aid in purification followed by a thrombin cleavage site. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. Insect cell paste was lysed and after centrifugation, the supernatant was chromatographed on Ni-NTA agarose (Qiagen) as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. Ni-NTA agarose eluting fractions containing PDE4 were pooled, diluted with Q buffer A (20 mM Tris HCl pH 8, 5% glycerol, 1 mM TCEP) to reduce NaCl to &#8722;100 mM and loaded on a Source 15Q (GE Healthcare) column. After washing with Q buffer A/10% buffer B to baseline, PDE4D was eluted with a gradient from 10% to 60% of Buffer B (20 mM Tris HCl pH 8, 1 M NaCl, 5% glycerol, 1 mM TCEP). PDE4D fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, frozen and stored at &#8722;80° C.Human PDE4C1 coding sequence (amino acids 2 to 712 from the sequence with accession number NP_000914.2) was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include an N-terminal His6 affinity tag and a c-terminal FLAG affinity tag to aid in purification. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection. Insect cell paste was lysed and after centrifugation, the supernatant was batch bound to Ni-NTA agarose (GE Healthcare) and eluted with 250 mM imidazole. This eluate was diluted with FLAG buffer (50 mM Tris HCL pH 7.5, 100 mM NaCl, 5% Glycerol, 1 mM TCEP with protease inhibitors) and batch bound to ant-FLAG M2 agarose (Sigma) overnight at 4° C. The agarose was packed into a column, washed with buffer and eluted with buffer containing elute using 250 ug/ml Flag-peptide. Fractions were analyzed using SDS-PAGE Coomassie blue staining and pooled based on purity.
9169	1	Human ATX Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row 0. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9170	1	Determination of LMP7 Activity	Measurement of LMP7 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human immuno proteasome (0.25 nM) and serial diluted compounds in DMSO (range of concentrations from 30 &#956;M to 15 pM) or controls are incubated for 20 minutes or 120 minutes (long incubation) at 25° C. in assay buffer containing 50 mM Tris pH 7.4, 0.03% SDS, 1 mM EDTA and 1% DMSO. The reaction is initiated by the addition of the fluorogenic peptide substrate, Suc-LLVY-AMC (Bachem 1-1395), at a concentration of 40 &#956;M. After 60 minutes of incubation at 37° C., fluorescence intensity is measured at &#955;ex=350 nm and &#955;em=450 nm with a fluorescence reader (Perkin Elmer Envision reader or equivalent).
9170	2	Determination of Beta5 Activity	Measurement of Beta5 inhibition is performed in 384 well format based on fluorescence intensity assay.Purified human constitutive proteasome (1.25 nM) and serial diluted compounds in DMSO (range of concentrations from 30 &#956;M to 15 pM) or controls are incubated for 20 minutes or 120 minutes (long incubation) at 25° C. in assay buffer containing 50 mM Tris pH 7.4, 0.03% SDS, 1 mM EDTA and 1% DMSO. The reaction is initiated by the addition of the fluorogenic peptide substrate, Suc-LLVY-AMC (Bachem 1-1395), at a concentration of 40 &#956;M. After 60 minutes of incubation at 37° C., fluorescence intensity is measured at &#955;ex=350 nm and &#955;em=450 nm with a fluorescence reader (Perkin Elmer Envision reader or equivalent).
9171	1	TBD	TBD
9171	2	TBD	TBD
9172	1	ADP-Glo Kinase Assay	The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the FYN substrate peptide. The ADP-Glo Kinase Assay is specifically designed to quantify kinase activity by measuring the ADP produced in the reaction The reaction buffer comprises 40 mM Tris.HCl (pH 7.5), 20 mM MgCl2, 0.1 mg/ml BSA and 5 microM DTT. Individual compounds within the chemical library were dissolved in DMSO at known concentrations. Briefly, 2.5 microliters of reaction buffer containing 3 picograms of FYN kinase and serial dilutions of each potential FYN kinase inhibitor (9 3-fold dilutions of a 10 micromolar top sample) are placed into each well of a 384 well microtiter plate and incubated at room temperature for 30 minutes. An additional 2.5 microliters of reaction buffer containing 100 picograms of the FYN substrate and 12.5 picomoles of ATP are then added to each well and the reaction carried out for 90 minutes at room temperature. 
9173	1	Inhibition Kinase Assay	The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained 5 nM wild type ROS1 (SignalChem Cat. No. R14-11G), 5 nM G2032R ROS1 (SignalChem Cat. No. R14-12BG), 5 nM L2026M ROS1 (Array Biopharma, p 1965), or 5 nM D2033N ROS1 (Array Biopharma, p 1994). Each kinase is incubated with 250 nM TK-substrate biotin (CisBio, Cat. No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM MOPS [pH 7.4], 5 mM MgCl2, 0.005% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were prepared in a four-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 120-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.3 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (CisBio, Cat. No. 62TK0PEC).
9174	1	GTP&#947;S binding test	CHO cells stably expressing human metabotropic glutamate receptors mGluR2 and mGluR3 were cultured at 37° C. under 5% CO2 using a Dulbecco&#39;s modified Eagle medium [1% proline, 1 mM sodium pyruvate, 1 mM succinic acid, 1 mM disodium succinate, 100 units/mL penicillin, 100 &#956;g/mL streptomycin, 400 (mGluR2) or 300 (mGluR3) &#956;g/mL hygromycin B, 2 mM L-glutamine (added just before use)] containing 10% dialyzed fetal bovine serum. The cells in a confluent state were washed with PBS(&#8722;), then dissociated using a cell scraper, and centrifuged at 1000 rpm for 5 minutes at 4° C. to recover the cells. The obtained pellet was suspended in a 20 mM HEPES buffer (pH 7.4) (mGluR2) or 20 mM HEPES buffer containing 1 mM EDTA (pH 7.4) (mGluR3), and the suspension was homogenized in a Teflon homogenizer and then centrifuged at 48,000×g for 20 minutes at 4° C. to obtain a pellet again. The obtained pellet was subjected to two additional cycles of washing and centrifugation and then homogenized with the buffer described above to obtain a crude membrane fraction. The crude membrane fraction was diluted with a buffer for a binding test (final concentration: 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 10 &#956;M GDP, 10 ng/mL saponin, 0.1% BSA) (mGluR2) or (final concentration: 20 mM HEPES, 1 mM EDTA, 100 mM NaCl, 10 mM MgCl2, 10 &#956;M GDP, 10 &#956;g/mL saponin, 0.1% BSA) (mGluR3). To the crude membrane fraction containing 10 &#956;g of membrane proteins/assay, Compounds (II)-1 to (II)-15 were each added, and the mixture was incubated at 30° C. for 20 minutes. Then, glutamate (final concentration: 20 (mGluR2) or 1 (mGluR3) &#956;M) and [35S]GTP&#947;S (final concentration: 0.15 nM) were added thereto, and the mixture was incubated at 30° C. for 1 hour. The solution thus incubated was filtered by suction onto Whatman GF/C filter, and the filter was washed with 1000 &#956;L of an ice-cooled 20 mM HEPES buffer (pH 7.4) (mGluR2) or 20 mM HEPES buffer containing 1 mM EDTA (pH 7.4) (mGluR3). A scintillation cocktail was added to the obtained filter, and the membrane binding radioactivity was measured using a liquid scintillation counter. The residual radioactivity in the absence of glutamate was defined as nonspecific binding, and the difference from the residual radioactivity in the presence of glutamate was defined as specific binding. 
9175	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore whose emission is quenched in the intact peptide.Assay buffer: 100 mM potassium phosphate pH 6.5, EDTA-Na 5 mM, Triton X-100 0.001%, DTT 5 mM.Enzymes (all at 1 nM): human and mouse Cathepsin S, Cat K, Cat B, Cat L.Substrate (20 &#956;M): Z-Val-Val-Arg-AMC, except for Cat K which uses Z-Leu-Arg-AMC (both from Bachem).Z=Benzyloxycarbonyl.AMC=7-Amino-4-Methyl-Coumarin.DTT=dithiothreitol.Final volume: 100 &#956;L.Excitation 360 nm, Emission 465 nm.Enzyme is added to the substance dilutions in 96-well microtitre plates and the reaction is started with substrate. Fluorescence emission is measured over 20 minutes, during which time a linear increase is observed in the absence of inhibitor.
9176	1	Biochemical Fluorescence Intensity Kinetic Assay/Biochemical Fluorescence Intensity Assay	USP30 Biochemical Fluorescence Intensity Kinetic Assay.Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. USP30 CD (Boston Biochem E-582 or 57-517, #64-0057-050 Ubiquigent) was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0, 0.0005, 0.001, 0.005, and 0.01 &#956;l/well. Buffer was optimised for optimal temperature, pH, reducing agent, salts, time of incubation, and detergent. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555, Boston Biochem) at a final concentration of 100 nM. Reactions were incubated at room temperature and read every 2 min for 120 min. Readings were performed on a Pherastar Plus (BMG Labtech). Excitation 487 nm; &#955; Emission 535 nm.USP30 Biochemical Fluorescence Intensity IC50 AssayDilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.001 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555; Boston Biochem) at a final concentration of 100 nM. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 487 nm; 2 Emission 535 nm.
9177	1	Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates. In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader. Data were analyzed using SigmaPlot software (Four Parameter Logistic Curve). Ki values for the inhibitors were determined using the Cheng-Prusoff equation.
9178	1	Inhibition of Test Compounds NAAA Assay	In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA, the fluorogenic PEA analog N-(4-methyl coumarin)palmitamide (PAMCA), which is hydrolyzed to fluorescent 7-amino-4-methyl coumarin (AMC) and palmitic acid, was developed. For three point concentration inhibition assays with hNAAA the following procedure was used. Purified activated NAAA (final concentration of 0.25 &#956;g/mL) was incubated in assay buffer (100 mM citrate-phosphate buffer, pH 4.5, 3 mM DTT, 0.1% Triton X-100, 0.05% BSA, and 150 mM NaCl) made up to a total volume of 180 &#956;L, followed by addition of the compound dissolved in 10 &#956;L DMSO (along with DMSO neat for the control sample) with the final concentrations for each compound of 100, 10, and 1 &#956;M, in triplicate on a 96 well plate. These samples were allowed to incubate for 15 min at room temperature and then 10 &#956;L of a PAMCA stock solution in DMSO (final PAMCA concentration [5 &#956;M]) was added. After 5 minutes of agitation on a shaking plate, the reaction was allowed to proceed at 37° C. for 120 minutes, with fluorescence readings taken every 10 minutes at a wavelength of 460 nm (using an excitation wavelength of 360 nm) on a Synergy HT Plate Reader using Gen5 software from Bio-Tek. The enzyme activity was calculated by converting the relative fluorescence units to AMC formed, using a standard curve of AMC.
9179	1	Kinase Assay	CSF-1R: Inhibition of CSF-1R kinase activity by a test compound disclosed herein was estimated by AlphaScreen (PerkinElmer). Standard assay conditions were 1.25 ng of recombinant CSF-1R kinase (SignalChem) with 10 ng Biotin-conjugated Poly-(Glu 4:Tyr 1) (Cisbio) in the assay buffer (10 &#956;M ATP, 10 mM MOPs, pH7.0, 0.21 mM EDTA, 0.5% glycerol, 1 mg/ml BSA, 0.01% 2-mercaptoethanol, 0.001% Brij35) in a final volume of 25 &#956;L. Reactions were incubated at 30° C. for 45 min and stopped by adding 5 &#956;L of 50 mM EDTA. Analysis of resulting product using an AlphaScreen kit, and counted with Enspire Alpha (PerkinElmer). The readout from control reaction (complete reaction mixture) was designated as 0% inhibition and the readout for the reaction without enzyme as 100% inhibition. The IC50 values of quinoxaline compounds of this invention against CSF-1R kinase were determined using the GraphPad Prism 5 software.
9179	2	Kinase Assay	c-KIT: Inhibition of c-KIT kinase activity by a test compound disclosed herein was estimated by radiometric assay. Standard assay conditions were 20 ng of recombinant c-Kit (SignalChem) with 2 &#956;g of substrate Poly-(Glu 4:Tyr 1) (sigma) in the assay buffer in kinase reaction buffer (10 mM MOPS pH 7.0, 0.21 mM EDTA, 0.5% glycerol, 0.001% Brij-35, 0.01 2-mercaptoehtanol, 1 mg/ml BSA, 10 mM MgCl2, 10 mM MnCl2, 10 &#956;M ATP, 0.1 &#956;Ci per well [33P]-ATP, in the presence of test compound (diluted in final concentration of 4% DMSO) or DMSO control, with a final volume of 25 &#956;l for 60 minutes at 30° C. The reaction was stopped by adding 5 &#956;l of 3% phosphoric acid solution. Total reaction solution was then harvested onto a filter plate (UniFilter-96 GF/B, PerkinElmer), and washed 20 times for 5 min with dH2O. 30 &#956;l of MicroScint -20 Cocktail (PerkinElmer) was added to dried plate. The plate was sealed and counted using a TopCount scintillation detector (PerkinElmer). The readout from control reaction (complete reaction mixture) was designated as 0% inhibition and the readout for the reaction without enzyme as 100% inhibition. The IC50 values of quinoxaline compounds of this invention against c-KIT kinase were determined using the GraphPad Prism 5 software.
9179	3	Kinase Assay	FLT3: Inhibition of FLT3 kinase activity by a test compound disclosed herein was estimated by radiometric assay. Standard assay conditions were 5 ng of recombinant FLT3 (Thermo Fisher) with 2 &#956;g of substrate Poly-(Glu 4:Tyr 1) (sigma) in the assay buffer in kinase reaction buffer (10 mM MOPS pH 7.0, 0.21 mM EDTA, 0.5% glycerol, 0.001% Brij-35, 0.01 2-mercaptoehtanol, 1 mg/ml BSA, MgCl2 10 mM, 10 &#956;M ATP, 0.1 &#956;Ci per well [33P]-ATP, in the presence of test compound (diluted in final concentration of 4% DMSO) or DMSO control, with a final volume of 25 &#956;l for 60 minutes at 30° C. The reaction was stopped by adding 5 &#956;l of 3% phosphoric acid solution. Total reaction solution was then harvested onto a filter plate (UniFilter-96 GF/B, PerkinElmer), and washed 20 times for 5 min with dH2O. 30 &#956;l of MicroScint -20 Cocktail (PerkinElmer) was added to dried plate. The plate was sealed and counted using a TopCount scintillation detector (PerkinElmer). The readout from control reaction (complete reaction mixture) was designated as 0% inhibition and the readout for the reaction without enzyme as 100% inhibition. The IC50 values of quinoxaline compounds of this invention against FLT3 kinase were determined using the GraphPad Prism 5 software.
9179	4	Kinase Assay	PDGFR&#946;: Inhibition of PDGFR&#946; kinase activity by a test compound disclosed herein was estimated by radiometric assay. Standard assay conditions were 10 ng of recombinant PDGFR&#946; (SignalChem) with 2 &#956;g of substrate Poly-(Glu 4:Tyr 1) (sigma) in the assay buffer in kinase reaction buffer (10 mM MOPS pH 7.0, 0.21 mM EDTA, 0.5% glycerol, 0.001% Brij-35, 0.01 2-mercaptoehtanol, 1 mg/ml BSA, 10 mM MgCl2, 10 mM MnCl2, 10 &#956;M ATP, 0.1 &#956;Ci per well [33P]-ATP), in the presence of test compound (diluted in final concentration of 4% DMSO) or DMSO control, with a final volume of 25 &#956;l for 60 minutes at 30° C. The reaction was stopped by adding 5 &#956;l of 3% phosphoric acid solution. Total reaction solution was then harvested onto a filter plate (UniFilter-96 GF/B, PerkinElmer), and washed 20 times for 5 min with dH2O. 30 &#956;l of MicroScint -20 Cocktail (PerkinElmer) was added to dried plate. The plate was sealed and counted using a TopCount scintillation detector (PerkinElmer). The readout from control reaction (complete reaction mixture) was designated as 0% inhibition and the readout for the reaction without enzyme as 100% inhibition. The IC50 values of quinoxaline compounds of this invention against PDGFR&#946; kinase were determined using the GraphPad Prism 5 software.
9180	1	GTP&#947;S Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager.
9181	1	Biological Assay for RORgammaT Activity	The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. In such an assay, interaction of cofactor-derived peptides with human RORgammaT-Ligand Binding Domain (LBD) can be measured. The TR-FRET technique is a sensitive biochemical proximity assay that will give information concerning the interaction of a ligand with the LBD, in the presence of cofactor-derived peptides (Zhou et al., Methods 25:54-61, 2001).To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (e.g., NR box) motifs (Xie et al., J. Immunol. 175: 3800-09, 2005; Kurebayashi et al., Biochem. Biophys. Res. Commun. 315: 919-27, 2004; Jin et al., Mol. Endocrinology 24:923-29, 2010). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol.HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 mg/ml bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per ml in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 ml SF9 lysate per 15 ml of diluted ROR&#947;-LBD.Compounds to be tested were injected to the 384-well assay plate using Acoustic Droplet Ejection technology by Echo 550 liquid handler (Labcyte, Calif.).A stock of biotinylated-LXXLL peptide from coactivator SRC1 (Biotin-SPSSHSSLTERHKILHRLLQEGSP) (SEQ ID NO: 1) and APC-conjugated streptavidin (final concentrations 100 nM and 8 nM respectively) were also added to each well.The final assay mixture was incubated overnight at 4° C., warmed to room temperature and the fluorescence signal was measured on an Envision plate reader: (Excitation filter=340 nm; APC emission=665 nm; Europium emission=615 nm; dichroic mirror=D400/D630; delay time=100 &#956;s, integration time=200 &#956;s). IC50 values for test compounds were calculated from the quotient of the fluorescence signal at 665 nm divided by the fluorescence signal at 615 nm.
9182	1	FLIPR Assay	Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in fluorescent signal were monitored by Fluorescent Imaging Plate Reader (FLIPR ) technology available from Molecular Devices, LLC, U.S.A. Orexin mediated increases in intracellular Ca2+ concentration were readily detected upon activation with orexin-A. Twenty-four hours prior to the assay, RBL-2H3 cells stably expressing either human orexin receptor 1 or human orexin receptor 2 were seeded in cell culture medium in black, clear-bottom 384-well plates (commercially available from Corning Inc., U.S.A.) and grown overnight at 37° C., 5% CO2. On the day of the assay, cell culture media was removed and cells were loaded with Calcium 5 Dye (commercially sold by Molecular Devices, LLC, U.S.A.) for 1 hour at 37° C., 5% CO2. Test compounds (at 10 point half log concentration response curves from 10 &#956;M) were added to cells for 15 minutes prior to the addition of orexin-A to all wells, to achieve a final concentration that produces approximately an 80% maximal response. 
9183	1	Inhibition Assay	Materials: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 8 mM Thymidine 5&#8242;-monophosphate p-nitrophenol ester sodium salt (Sigma Cat # T4510) Enzyme: 5 ng/&#956;L Recombinant Human ENPP-1 Protein (R&D Cat #6136-EN-010) DMSO 96-well clear assay platesMethods:An eight point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 81 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO+5 &#956;L Substrate+4 &#956;L Enzyme. Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using the Envision.
9184	1	AlphaLISA Assay	Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired concentrations. 5 nM BDR4-BD1 enzyme (produced in-house) and 12 nM of biotinylated substrate were added to the wells, covered and incubated at room temperature (RT) for 1 h. At the end of 1 h 250 ng of GSH acceptor beads were added to the well and incubated for 1 h at RT; then 500 ng of streptavidin donor beads were added and incubated again for 1 h at RT. Plates were read in a Pherastar reader at 680 nm excitation and 570 nm emission
9185	1	AlphaLISA Assay	Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired concentrations. 5 nM BDR4-BD1 enzyme (produced in-house) and 12 nM of biotinylated substrate were added to the wells, covered and incubated at room temperature (RT) for 1 h. At the end of 1 h 250 ng of GSH acceptor beads were added to the well and incubated for 1 h at RT; then 500 ng of streptavidin donor beads were added and incubated again for 1 h at RT. Plates were read in a Pherastar reader at 680 nm excitation and 570 nm emission. As detailed above, compounds were tested for both BRD4 enzyme inhibitory activities and IC50 were determined. 
9186	1	Radioligand Assay	To investigate binding properties of test compounds to human &#963;1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to MultiScreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail.
9187	1	Inhibition Assay	The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 &#956;M to 10 &#956;M.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×106 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.Test compounds were serially diluted in DMSO and then spiked (2 &#956;L) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and incubated for 10 minutes. Assay was initiated with the addition of 0.1 mL of 100 &#956;M 14C-TEA in KHB buffer (20 &#956;M final concentration after mixing). The concentration of TEA is based on the Km. After 10 minutes of incubation, the assay mixture was quenched with addition of 0.5 mL of ice-cold 1×PBS buffer. Samples were then centrifuged at 1000 rpm for 5 min and supernatants were removed. Wash steps were repeated four times with ice-cold PBS. Finally, the cell pellets were lysed with 0.2N NaOH and let sit at room temperature for at least 30 min to ensure complete lysis.
9188	1	HTRF FRET Assay	BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 catalytic domain (3 nM in 10 &#956;l) for 30 minutes at 30° C. in reaction buffer containing 20 mM Na-Acetate pH 5.0, 10% glycerol, 0.1% Brij-35 and 7.5% DSMO. Reactions are initiated by addition of 10 &#956;l of 600 nM QSY7-APPswe-Eu substrate (200 nM final) to give a final reaction volume of 30 &#956;l in a 384 well Nunc HTRF plate. The reactions are incubated at 30° C. for 1.5 hours. The 620 nm fluorescence is then read on a Rubystar HTRF plate reader (BMG Labtechnologies) using a 50 millisecond delay followed by a 400 millisecond acquisition time window. Inhibitor IC50 values are derived from non-linear regression analysis of concentration response curves. Ki values are then calculated from IC50 values using the Cheng-Prusoff equation using a previously determined &#956;m value of 8 &#956;M for the QSY7-APPswe-Eu substrate at BACE1.
9188	2	Time-Resolved Endpoint Proteolysis Assay 	BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are preincubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration, Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values.
9189	1	In Vitro Assay	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
9190	1	Inhibition Kinase Activity Assay	The FGFR1 inhibitory activities of compounds were measured based on their activity to inhibit phosphorylation of the biotinylated peptide (EGPWLEEEEEAYGWMDF; SEQ ID NO: 39) by a human FGFR1 enzyme. Phosphorylated biotinylated peptide was detected by time-resolved fluorometry using a europium cryptate-linked anti-phosphotyrosine antibody, and streptavidin linked to an allophycocyanin derivative, XL665. The half maximal inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group which does not contain the test substance.
9190	2	Inhibition Kinase Activity Assay	The FGFR2 inhibitory activities of compounds listed in Tables 1-1 to 1-5 were measured based on their activity to inhibit phosphorylation of the biotinylated peptide (EGPWLEEEEEAYGWMDF; SEQ ID NO: 39) by human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptide was detected by time-resolved fluorometry using europium cryptate-linked anti-phosphotyrosine antibody, and streptavidin linked to an allophycocyanin derivative, XL665. The half maximal inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group which does not contain the test substance.
9190	3	Inhibition Kinase Activity Assay	The FGFR3 inhibitory activities of compounds listed in Tables 1-1 to 1-5 were measured based on their activity to inhibit phosphorylation of the biotinylated peptide (EGPWLEEEEEAYGWMDF; SEQ ID NO: 39) by human FGFR3 enzyme (Carna Biosciences, cat 08-135). Phosphorylated biotinylated peptide was detected by time-resolved fluorometry using europium cryptate-linked anti-phosphotyrosine antibody, and streptavidin linked to an allophycocyanin derivative, XL665. The half maximal inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group which does not contain the test substance.
9191	1	Receptor Binding Assay 	Dopamine D2: The binding assay was performed using 40 &#956;l of the membrane specimen, 20 &#956;l of [3H]-raclopride (final concentration 1 to 2 nM), 20 &#956;l of a test drug and 50 mM Tris-hydrochloric acid buffer (containing 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, pH 7.4) so that the total amount was 200 &#956;l (final dimethylsulfoxide concentration 1%). The reaction was performed at room temperature for 1 hour and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate. The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation cocktail was added and the radioactivity was measured with a microplate scintillation counter. Radioactivity in the presence of 10 &#956;M (+)-butaclamol hydrochloride was assumed as nonspecific binding.
9191	2	Receptor Binding Assay 	5-HT2A: The binding assay was performed using 40 &#956;l of the membrane specimen, 20 &#956;l of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 &#956;l of a test drug and 50 mM Tris-hydrochloric acid buffer (pH 7.4) so that the total amount was 200 &#956;l (final dimethylsulfoxide concentration 1%). The reaction was performed at 37° C. for 20 minutes and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate.The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation cocktail was added and the radioactivity was measured with a microplate scintillation counter. Radioactivity in the presence of 10 &#956;M spiperone was assumed as nonspecific binding.
9192	1	The enzymatic inhibition assay	The enzymatic inhibition assay was carried out with a final concentration of 100 nM recombinant SARS-CoV-2 Mpro and 20 &#956;M FRET substrate. For the determination of IC50 values, the enzyme was pre-incubated with various concentrations of each compound for 10 min, and then the reaction was initiated by adding the FRET substrate and monitored at 405 nm in the kinetic mode for 10 min on a CLARIOstar microplate reader (BMG Labtech). The initial velocities were calculated from the first 1 min of each reaction curve. The IC50 values were calculated using a dose-response model in GraphPad Prism 8.0 software. All experiments were performed in triplicate, and the values are presented as mean ± standard deviation (SD).
9192	2	scanning fluorimetry assay of Vero E6 cells 	The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were performed in the following buffer: 20 mM HEPES pH 6.5 containing 120 mM NaCl. The Mpro protein (final concentration: 2 &#956;M) was pre-incubated with 40 &#956;M of compounds for 30 min. 5×SYPRO Orange dye (Sigma) was added to probe the thermal denaturation from 20°C to 95°C at a scan rate of 1.5 °C/min. The melt temperature (Tm) was calculated by using a Boltzmann model in GraphPad Prism 8.0 software. The thermal shift (&#916;Tm) was calculated using the equation &#916;Tm=Tm(compound)-Tm(DMSO). All experiments were performed in triplicate, and the values are presented as mean ± SD. Vero E6 cells are used.
9192	3	scanning fluorimetry assay of HPAEpiC cells 	The differential scanning fluorimetry (DSF) assay was carried out on a CFX96 real-time PCR Detection System (Bio-Rad). All the experiments were performed in the following buffer: 20 mM HEPES pH 6.5 containing 120 mM NaCl. The Mpro protein (final concentration: 2 &#956;M) was pre-incubated with 40 &#956;M of compounds for 30 min. 5×SYPRO Orange dye (Sigma) was added to probe the thermal denaturation from 20°C to 95°C at a scan rate of 1.5 °C/min. The melt temperature (Tm) was calculated by using a Boltzmann model in GraphPad Prism 8.0 software. The thermal shift (&#916;Tm) was calculated using the equation &#916;Tm=Tm(compound)-Tm(DMSO). All experiments were performed in triplicate, and the values are presented as mean ± SD. HPAEpiC cells are used.
9193	1	Inhibition of proteolytic activity	Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the kinetic assays, 100 nM Mpro in reaction buffer (20 mM Tris, 100 mM NaCl, 1 mM DTT, pH 7.3) was incubated with or without compound in DMSO at varying concentrations to a final DMSO concentration of 6% for 15 min with shaking at room temperature. The reaction was initiated by addition of substrate (Dabcyl-KTSAVLQSGFRKM-E(Edans-NH2); GL Biochem) in reaction buffer, which is cleaved by Mpro, generating a product containing a free Edans group. Fluorescence was monitored at an excitation wavelength of 360 nm and emission wavelength of 460 nm. Baseline subtraction controlled for intrinsic fluorescence of each compound as well as intrinsic fluorescence of the uncleaved FRET substrate. All tested compounds had purity of at least 95% based on HPLC, and all measurements were performed in triplicate and averaged.
9193	2	Antiviral Assay using MTT	The antiviral activity of compounds was examined by evaluating the cytopathic effect in Vero-E6 cells grown at 37°C in a 5% CO2 atmosphere for 72 h using 96 multi-well plates (50,000 cells/ well) using 3-(4,5-dimethyl-2- thiazolyl)-2,5-diphenyl-2H-tetrazolium bromide (MTT; Sigma- Aldrich) method according to the manufacturer&#39;s instructions. Cells were challenged with SARS-CoV-2 at a multiplicity of infection (MOI) of 0.01. The virus was added together with the compound(s) under investigation and incubated in DMEM supplemented with 2% FBS and using 0.1% DMSO with no inhibitor as a control. To assess in vitro antiviral activity, serial dilutions of compounds in (0.1% DMSO in 2% FBS in DMEM media) were made in a concentration range of 0.1 uM to 25 uM. Optical densities were measured at 560/620 nm with a Spectramax Plate Reader. Three independent experiments with triplicate measurements were performed. Data were analyzed by a four-parameter curve-fitting from a dose-response curve using GraphPad Prism (version 7.00) to calculate the EC50 (concentration of the compound that inhibited 50% of the infection) based on the MTT method. Concurrently in this experiment, general cellular cytotoxicity in the absence of virus was determined.
9193	3	Viral titer plaque assay	Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01. The cells were washed twice to remove residual unattached virus. Serial dilutions of each compound (0.1% DMSO in 2% FBS in DMEM media) were added to the cells and incubated at 37 °C (2 dpi). After 2 dpi, the supernatant containing virus was cleared from cell debris at 1000 rpm for 10 min and frozen until analysis via plaque assay. For the plaque assay, Vero-E6 cells were seeded at 7.5 x 10E5 cells/well in 6-well plates. The following day, the media was removed and replaced with 100 &#956;L of 10-fold serial dilutions of previously frozen viral supernatant. Plates were incubated at 37°C for 1 hour with gentle rocking. Subsequently, overlay media (DMEM, 2% FBS, 0.6% Avicel RC-581) was added to each well. At 2 dpi for SARS-CoV-2 plates were fixed with 10% formaldehyde for 30 min, stained with crystal violet solution (0.5% crystal violet in 20% ethanol) for 30 min, and then rinsed with deionized water to visualize plaques.
9194	1	Inhibition Assay	Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm. Ki values for compounds according to the invention are shown in the following table
9194	2	Inhibition Assay	Prior to the assay, human TK1 (R&D Systems) was activated by incubation with human trypsin (Calbiochem) in a 1:10,000 ratio for 15 min at 37° C. For assaying TK1 inhibitory activity, activated TK1 (31.25 nM or 1 U/mL) was incubated at 24° C. with 0.1 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm.
9195	1	In vitro JAK Kinase Assay	The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hr and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.)
9196	1	Inhibition Assay	1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7.5 0.015% Brij-35 0.2% Coating Reagent #3 50 mM EDTAPrepare a Compound Solution to be Tested Step 2.1 Dilute the compound to 50× of the final desired highest inhibitor concentration in reaction by 100% DMSO. Transfer 100 &#956;l of this compound dilution to a well in a 96-well plate. For example, if desired highest inhibitor concentration is 1 &#956;M, then prepare 50 &#956;M of compound DMSO solution in this step.
9197	1	ELISA Assay	ROCK Substrate Coated Plate (Part No 241601): One strip well 96-well plate pre-coated with recombinant MYPT1.Buffer: 25 mM Tris, pH 7.5, 10 mM MgCl2, 5 mM Glycerol-2-Phosphate, 0.1 mM Na3VO4; 1% DMSO; 2.5 mM DTT; (Enzyme: ROCK active-II) (Cell Biolabs, Catalog #STA-406, Part No. 241505) 0.1 ng/&#956;l.ATP Solution (Part No. 241604): 100 mM ATP. Final concentration of ATP in reaction mixture: 250 &#956;M.Anti-phospho-MYPT1 (Thr696) (Part No. 241603).Secondary Antibody, HRP Conjugate (Part No. 231003).Biotinylated substrate, diluted to 0.25 &#956;M with buffer described above (without ATP).Steps:1. Purified kinase or cell lysate sample can be used directly in the kinase assay or further diluted with 1× Kinase Buffer. Each sample should be assayed in duplicate.2. Add 90 &#956;L of the diluted active ROCK-II positive control or unknown ROCK samples to the wells of the substrate plate.3. Initiate the kinase reaction by adding 10 &#956;L of the 10× Kinase Reaction Buffer containing DTT and ATP. Mix well.4. Cover with a plate cover and incubate the wells at 30° C. for 30-60 minutes with gentle agitation.5. Stop kinase reaction by flicking out the content or by adding 50 &#956;L of 0.5M EDTA, pH 8.0, to each well.6. Remove the plate cover and empty wells. Wash microwell strips 3 times with 250 &#956;L 1× Wash Buffer per well with thorough aspiration between each wash. After the last wash, empty wells and tap microwell strips on absorbent pad or paper towel to remove excess 1× Wash Buffer.7. Add 100 &#956;L of the diluted anti-phospho-MYPT1 (Thr696) antibody to each well.8. Cover with the plate cover and incubate at room temperature for 1 hour on an orbital shaker.9. Remove the plate cover and empty wells. Wash the strip wells 3 times according to step 6 above.10. Add 100 &#956;L of the diluted HRP-conjugated secondary antibody to each well.11. Cover with the plate cover and incubate at room temperature for 1 hour on an orbital shaker.12. Remove the plate cover and empty wells. Wash microwell strips 3 times according to step 6 above. Proceed immediately to the next step.13. Warm Substrate Solution to room temperature. Add 100 &#956;L of Substrate Solution to each well, including the blank wells. Incubate at room temperature for 5-20 minutes on an orbital shaker.14. Stop the enzyme reaction by adding 100 &#956;L of Stop Solution into each well, including the blank wells. Results should be read immediately (color will fade over time).15. Read absorbance of each microwell on a spectrophotometer using 450 nm as the primary wave length.
9198	1	TR FRET Binding Assay	His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CBP (4 nM final) was combined with biotin-ligand (60 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody ( 6×His is disclosed as SEQ ID NO: 3) (Perkin Elmer AD0110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 50 nMolar APC-SA, respectively. 
9199	1	Z&#8242;-LYTE Kinase Assay	Purified active ROCK1 and ROCK2 were obtained from Invitrogen (catalog numbers ROCK1, PV3691 and ROCK2, PV3759). The kit components include a coumarin and fluorescein labeled peptide based on myosin light chain 2 (KKRPQRRYSNVF), a proprietary protease containing development reagent and a proprietary Stop buffer used to terminate the development reaction. The inhibitory activities of compounds are measured according to the manufactures protocol. Briefly, decreasing concentrations of test compounds or the known ROCK inhibitor Y-27963, are added, from 10 uM to 2.56×10&#8722;5 uM to reaction buffer containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 5 mM EGTA, and 0.05% Brij-35 and of ROCK1 at 0.18 ug/mL or ROCK2 at 0.8 ug/mL in assay dilution buffer. This mixture is overlayed into a white 96-well half area plate and the reaction is initiated with the addition of 5 uM ATP for ROCK1 or 12 uM ATP for ROCK2. The assay proceeds at room temperature for 1 hour followed by the addition of development reagent, and further incubation for 1 hour at room temperature. STOP reagent is then added and the reaction and immediately the coumarin and fluorescein emission signals are read on a Tecan Infinite M1000 fluorescence plate reader (excitation: 400 nm; emission 445 and 520 nm, respectively). 
9200	1	Inhibition Assay	Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against a series of analogous compounds in which the R3 group of the respective compounds of the present invention (as defined by Formula I) was replaced with a pyridyl ring (FIGS. 1 and 2, in which the reference compounds had an IC50 of 6.00 nM and a &#916;Tm of 12.8° C. (FIG. 1); an IC50 of 38.8 nM (FIG. 2a ) and an IC50 of 3.8 nM (FIG. 2b )) as determined by kinase assay or differential scanning fluorimetry (temperature difference, &#916;Tm is inversely proportional to the log Kd, i.e. an increased temperature difference indicates a higher affinity and therefore a more potent inhibitor). These included furan, oxazole, pyrazole, thiazole, methyl-pyrazole, and oxadiazole moieties. Replacement of the pyridine ring of indolyl compound 38 in Table 3 with a furan ring resulted in a drop in potency (23.9 nM for compound 38 vs. 65 nM for the resulting furan analogue).
9201	1	Biochemical Assay	IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using nickel affinity chromatography by methods commonly used and well known to those skilled in the art. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For IDH1 R132H, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 300 &#956;M, 2.5 &#956;M and 300 &#956;M respectively. For IDH1 R132C, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 100 &#956;M, 10 &#956;M and 100 &#956;M respectively. For IDH2 R172K, &#945;-ketoglutarate, NADPH, and MnCl2 are included at final concentrations of 150 &#956;M, 10 &#956;M and 150 &#956;M respectively. For IDH2 R140Q, &#945;-ketoglutarate, NADPH, and MnCl2 are included at final concentrations of 300 &#956;M, 10 &#956;M, and 100 &#956;M respectively. Final pH=7.0. Test compound, dissolved in DMSO stock, is diluted in the reaction mixture at a final DMSO concentration of 4%. Compounds are tested in dose-response format. The assay is started by addition of enzyme. Enzymes are used at the following final concentrations: IDH1 R132H, 2 nM; IDH1 R132C, 0.5 nM; IDH2 R172K, 1.2 nM; IDH2 R140Q, 1.2 nM and the assay is allowed to continue for the following times: 40 minutes for IDH-1R132C, 60 minutes for IDH-1HR132H and 50 minutes for the IDH-2172K and IDH-2R140Q enzymes. The reaction is quenched by adding ACN (50:50) containing d5-3HG as an internal standard for mass spectrometry analysis and quantitation of reaction product.
9201	2	Biochemical Assay	Wild-Type IDH1: Enzymes catalyze the conversion of isocitrate to &#945;KG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP_001269316.1) and IDH2 (National Center for Biotechnology Information, Accession: EAX02082.1) proteins containing N-terminal His-tag are expressed in E. coli and purified using nickel affinity chromatography by methods commonly used and well known to those skilled in the art. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer at pH 7.5, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For the IDH1 wild-type assay isocitrate, NADP+ and MnCl2 are included at the concentrations of 85 &#956;M, 50 &#956;M and 20 &#956;M respectively. For the IDH2 wild-type assay isocitrate, NADP+ and MnCl2 are included at the concentrations of 30 &#956;M, 50 &#956;M and 10 &#956;M respectively. Inhibitors dissolved in a DMSO stock solution are diluted in the reaction mixture at a final DMSO concentration of 4%. The enzyme assay is terminated (quenched) by adding ACN (50:50) containing d (d6-&#945;KG) as an internal standard for mass spectrometry analysis. Ten microliters of reaction mixture is combined with 100 &#956;L of water, 50 &#956;L of 1 M O-benzylhydroxylamine in pyridine buffer (8.6% pyridine, pH 5), and 50 &#956;L of 1 M EDC in pyridine buffer. Following derivatization at room temperature for one hour, samples are extracted with EtOAc (600 &#956;L). Four hundred L of the upper layer is removed, dried under heated nitrogen, and reconstituted with MeOH/water (1:1) (100 &#956;L). Ten &#956;L of derivatized sample is injected onto an LC-MS system consisting of a Shimadzu Prominence 20A HPLC system and a Thermo Quantum Ultra triple quadrupole mass spectrometer. 
9202	1	Binding Assay	Microplates were coated with recombinant human integrin &#945;v&#946;6 (2 ug/ml) in PBS (100 ul/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). Plate was blocked with 200 ul/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 ug/ml) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
9203	1	Inhibition Assay	In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kinase reaction buffer I: 5× Reaction Buffer A (Promega; V307A-C) provided in the kit was diluted with a mixture of Milli Q H2O and 0.1M DTT (dithiothreitol) to 4× kinase buffer; then Milli Q H2O was added in a proper proportion, to finally formulate into 1× kinase buffer.Preparation of kinase reaction buffer II: 0.5% DMSO (dimethyl sulfoxide) was added into 1× kinase reaction buffer and uniformly mixed to obtain the title buffer.2. Preparation of kinase solution: 100 ng/&#956;l kinase stock solution was formulated with 1× kinase reaction buffer into kinase solution with the desired concentration for each reaction system.3. Preparation of solution of test compound and LY2835219 as a control:(1) Preparation of Solution of LY2835219 as a Controla. 1 &#956;l of 10 mM standard stock solution was added respectively into 9 &#956;l of kinase reaction buffer I and uniformly mixed; then 90 &#956;l of kinase reaction buffer I was added and uniformly mixed; and then 100 &#956;l of kinase reaction buffer I was added and uniformly mixed, to achieve a final concentration of 50 &#956;M.b. 40 &#956;l of kinase reaction buffer II was added into Well B2-B10 of a 96-well plate; and 50 &#956;l of above-mentioned solution was added into Well B1;c. 10 &#956;l of solution was taken from Well B1, added into Well B2 and uniformly mixed, then 10 &#956;l of dilution was taken from Well B2 and added into Well B3, the serial dilution was continued up to B9, to obtain 5-fold serial dilutions of the reference solution.
9204	1	Biological Activity Assay	Kinase enzymatic reactions were performed in 384-well microplates using a 12-channel Caliper LabChip instrument as a detection device. The enzymatic phosphorylation of a peptide results in a change in net charge, enabling electrophoretic separation of product from substrate. As substrate and product are separated, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured, reflecting enzyme activity. In the presence of an inhibitor, the ratio between product and substrate is altered. The signal of the product decreases, while the signal of the substrate increases.For the measurement of CDK2/cyclinE activity, enzyme (0.22 nM) was incubated with 100 mM ATP and the phosphoacceptor substrate peptide (1 mM) for one hour. For the measurement of CDK4/CyclinD activity, enzyme (0.85 nM) was incubated with 200 mM ATP and the phosphoacceptor substrate peptide (1 mM) for three hours. Potential inhibitor compounds (as HCl salts) were tested using 12-point dose response curves in single point at the Km for ATP. 
9205	1	cAMP Assay 	On the day of the assay, the media is aspirated and the cells are treated with 50 &#956;L of 1.6 &#956;M NKH477 (Sigma # N3290) plus various dilutions of compounds of the invention in assay buffer [1× Hank&#39;s Balanced Salt Solution (ThermoFisher # SH3058802), 0.5 mM HEPES pH 7.4, 0.1% bovine serum albumin, 0.2 mM 3-Isobutyl-1-methylxanthine (IBMX, VWR #200002-790)]. The cells are incubated for 20 minutes at 37° C. (the final concentration of the compounds of the invention are typically 0-10,000 nM). The cells are treated with 50 &#956;L of lysis buffer (HRTF cAMP kit, Cisbio). The lysate is transferred to 384-well plates and cAMP detection and visualization antibodies are added and incubated for 1-24 hours at room temperature. 
9206	1	Enzymatic Reaction Assay	The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100× stock. Buffer A (89 &#956;L) containing 33 nM of NAMPT protein was added to 1 &#956;L of 100× compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mixture was incubated for 15 min at rt, then 10 &#956;L of 10× substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 &#956;M NAM, 100 &#956;M 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5&#8242;-triphosphate (ATP). The reaction was allowed to proceed for 30 min at rt, then was quenched with the addition of 11 &#956;L of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 &#956;M L-Cystathionine. Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.
9207	1	Radioligand Binding Assay	For a primary screen of selected molecules, binding to OR was assessed by measuring competition against the radioligand 3H-diprenorphine (3H-DPN). Each compound was initially tested at 20 M and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in OR containing Sf9 insect cell membranes. The reaction contained 40 fmol of OR and was incubated in a buffer of 20 mM HEPES pH 7.5, 100 mM sodium chloride, and 0.1% bovine serum albumin for 1 hour at 25 ° C. To separate free from bound radioligand, reactions were rapidly filtered over Whatman GF/B filters with the aid of a Brandel harvester and 3H-DPN counts were measured by liquid scintillation. Compounds with more than 25% of 3H-DPN radioactivity were further tested in full dose-response to determine the affinity (Ki) in HEK293 membranes. Subsequently, the 15 analogs were tested in full dose-response for affinity at the OR and the OR by the National Institutes of Mental Health Psychoactive Drug Screen Program (PDSP), as were the affinities of compounds 12, PZM21, and their stereoisomers at the OR, OR, OR and nociception receptor.
9208	1	Alpha Assay	The alpha assay was used to assess the binding of the compounds of the application to TRIM24 at various concentrations. All compounds were added at concentrations from 50 &#956;M to 0.002 &#956;M. Compounds that bind to TRIM24 compete with the PHD-bromodomain of TRIM24 in interacting with the donor bead, and the H3K23ac histone peptide bound to the acceptor bead, which causes a decrease in signal. IC50 values were calculated by using Graphpad PRISM&#39;s log(inhibitor) vs. response variable slope (four parameters). 
9209	1	Binding AlphaLISA Assay	The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 &#956;L. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171-327), 0.0625 nM biotinylated-Bim peptide, 10 &#956;g/mL AlphaLISA anti-6×His-AlphaLISA acceptor beads, 40 g/mL AlphaScreen streptavidin donor beads, and serially diluted test compounds in the binding buffer (20 mM Hepes, pH 7.5; 150 mM NaCl); 0.002% Brij 35; 1 mM Dithiothreitol (DTT) Solution; 0.01% BSA). 1,000×test compounds were pre-spotted onto 384-well Proxiplate by Echo 555 Liquid Handler followed by incubation of 5 &#956;l Mcl-1(171-327) for 1 hour. Then 5 &#956;L Bim (51-76) was added and incubated for 2 hours. Five &#956;L AlphaLISA anti-6His-AlphaLISA acceptor beads were then added for 1 hour followed by addition of 5 &#956;L AlphaScreen streptavidin donor beads for 1 hour. The reaction plates were then read on an Envision multimode reader using AlphaScreen settings. 
9210	1	In Vitro Bromodomain Inhibition Assay	To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (H4K5/8/12/16; AnaSpec #64989-025) with the target using the AlphaLISA technology (Perkin-Elmer). Specifically, in a 384 well OptiPlate, BRD4(BD1) (200 nM final) is pre-incubated with either DMSO (final 1.0% DMSO) or a compound dilution series in DMSO. All reagents are diluted in assay buffer containing 50 mM HEPES (pH 7.4), 100 mM NaCl, 0.1% (w/v) BSA, and 0.05% (w/v) CHAPS. After a 30 minute incubation at rt, H4 peptide is added (200 nM final) and the reaction is incubated an additional 30 minutes at rt. Alpha streptavidin donor beads and AlphaLISA nickel chelate acceptor beads are then added to a final concentration of 10 &#956;g/mL each. After one hour, equilibration plates are read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
9211	1	RapidFire Mass Spectrometry (RFMS) Activity Assay	Compounds were solubilized in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilutions were prepared in DMSO and mixed 8 times with 20 &#956;L mixing volume. Final assay conditions were as follows:Reaction volume: 20 &#956;lAssay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 &#956;M (8-fold sub-Km) substrate peptide0.5% DMSOTotal incubation time: 65 mins at 37° C.Stop solution: 40 &#956;l 5% TCA in ACN0.25 &#956;L of compound solution was added to 10 &#956;L of 200 nM PAD4 in assay buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT). After 5 mins, 10 &#956;L of 100 &#956;M of substrate in buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT, 2 mM CaCl2) was added and the reaction incubated for 60 mins at 37° C. The enzymatic reaction was quenched by addition of 40 &#956;l of 5% TCA in ACN (1.7% TCA final concentration) stop solution. Arginine containing substrate and citrulline containing product (+1 Da mass shift) were subjected to solid phase extraction on Agilent RapidFire (RF) 300 system and detected on a coupled, triple quadrupole Agilent 6460 QQQ mass spectrometry (MS) device under application of multiple reaction monitoring (MRM) for quantitation.
9212	1	Radioligand Binding	Human or rat P2X7-1321 N1 cells were collected and frozen @&#8722;80° C. On the day of the experiment, cell membrane preparations were made according to standard published methods. The total assay volume was 100 &#956;l:10 &#956;l compound (10×)+(b) 40 &#956;l tracer (2.5×)+50 &#956;l membrane (2×). The tracer used for the assay was tritiated A-804598. The compound can be prepared as described in the literature. (Donnelly-Roberts, D. Neuropharmacology 2008, 56 (1), 223-229.) Compounds, tracer and membranes were incubated for 1 hour @ 4° C. The assay was terminated by filtration (GF/B filters pre-soaked with 0.3% PEI) and washed with washing buffer (Tris-HCl 50 mM). The IC50 generated in the binding assay was corrected for tracer concentration and affinity of the tracer to derive at the affinity (Ki) of the test compounds.
9213	1	Kinase Assay	Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -147 resp.). All four purified enzymes contain only the catalytic domain. JAK1 (aa 850-1154) and TYK2 (aa 871-1187) are expressed with an N-terminally fused GST-tag, and JAK2 and JAK3 with an N-terminally fused His-tag. Inhibition of phosphorylation of a synthetic peptide was measured in an HTRF-based assay (CisBio #62TKOPEC). First, 75 nL of test compound solution (100% DMSO) was added to a white shallow 384-well plate (NUNC #264706) using a Labcyte ECHO 550 liquid handler. Thereafter, 1 &#956;L of compound dilution buffer (50 mM HEPES, 0.05% bovine serum albumin) and 2 &#956;L of TK solution (TK substrate-biotin in kinase buffer [1× enzymatic buffer from HTRFKinEASE TK kit, 1 mM DTT]) was added. Then, 5 &#956;L kinase-ATP mix (prepared in kinase buffer) was added to the wells and the plates were incubated at RT for 20 (JAK2, 3 and TYK2) to 40 (JAK1) min. For all four kinases a concentration of ATP that corresponded to the Km for ATP was used. The final concentrations of buffers, substrate, kinase and ATP were: JAK1: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 10 mM MgCl2, 1 mM DTT, 7 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 5 ng/well JAK1; JAK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 4 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.1 ng/well JAK2; JAK3: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 2 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.3 ng/well JAK3; TYK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 13 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 0.8 ng/well TYK2. Thereafter, the kinase reaction was stopped by adding 4 &#956;L detection mix (final concentrations: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 0.8 M KF, 20 mM EDTA, 42 nM Streptavidin-XL665 and 1:400 STK Ab Cryptate) and the plates were incubated overnight in the dark. 
9214	1	Inhibition of the Activation Assay	As human TLR7 expressing cell line, HEK293 cell line was bought from IMGENEX Corporation (TLR7/NF-&#951;B/SEAPorter HEK293 cell), which is human embryonic kidney cell line and stably expresses full-length human TLR7 gene and secreted alkaline phosphatase (SEAP) reporter gene under the transcriptional control of an NE-&#951;B response element. The TLR7/NF-&#951;B/SEAPorter HEK293 cell was cultivated with DMEM containing 10% fetal bovine serum (FBS) and 10 &#956;g/mL blasticidin S at 37° C. in the presence of 5% CO2. The TLR7/NF-&#951;B/SEAPorter HEK293 cell was seeded into 96-well microtiter plate at 5×104 cell/90 &#956;L/well, and the place was cultivated at 37° C. in a CO2 incubator overnight. Each test compound that was diluted with the medium was added to the wells (10 &#956;L/well), wherein each final concentration was adjusted to 0.001, 0.003, 0.01, 0.03, 0.1, 0.3, 1, 3, and 10 &#956;mol/L, or 0.01, 0.03, 0.1, 0.3, 1, 3, 10, 30, and 100 &#956;mol/L. After 0.5 hour, R-848 that is TLR7/8 ligand was added to each well (10 &#956;L/well), wherein each final concentration was adjusted to 200 nmol/L. The total volume was adjusted to 110 &#956;L/well, the test samples were incubated in CO2 incubator for 20±1 hours, and then the SEAP activity was measured as activation of TLR7. The SEAP activity was evaluated as follows: p-nitro-phenyl phosphate (pNPP) (Invitrogen) was added to the incubated sample (50 &#956;L/well); after 15 minutes, 4 mol/L sodium hydroxide solution (nacalai tesque) was added thereto (50 &#956;L/well) to quench the reaction; and the absorbance of each sample was measured at 405 nm with microplate reader Elx808 (BioTek). The 50% inhibitory concentration (IC50 value) of each sample compound was calculated based on 100% of the SEAP activity wherein the test sample comprises no sample compound.
9215	1	Inhibition Assay	JAK1 (IC50): Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) is purchased from Carna Biosciences. 10 ng of JAK1 is incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (15 mM Tris-HCl pH 7.5, 1 mM DTT, 0.01% Tween-20, 10 mM MgCl2, 2 &#956;M non-radioactive ATP, 0.25 &#956;Ci33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 pt, in a polypropylene 96-well plate (Greiner, V-bottom). After 45 min at 30° C., reactions are stopped by adding of 25 &#956;L /well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. 
9215	2	Enzyme Assay	JAK1 (KI): For the determination of Ki, different amounts of compound are mixed with the enzyme and the enzymatic reaction is followed as a function of ATP concentration. The Ki is determined by means of double reciprocal plotting of Km vs compound concentration (Lineweaver-Burk plot). 1 ng of JAK1 (Invitrogen, PV4774) is used in the assay. The substrate is 50 nM Ulight-JAK-1 (Tyr1023) Peptide (Perkin Elmer, TRF0121) The reaction is performed in 25 mM MOPS pH 6.8, 0.01%, 2 mM DTT, 5 mM MgCl2 Brij-35 with varying concentrations of ATP and compound. Phosphorylated substrate is measured using an Eu-labeled anti-phosphotyrosine antibody PT66 (Perkin Elmer, AD0068). Readout is performed on the envision (Perkin Elmer) with excitation at 320 nm and emission followed at 615 nm and 665 nm.
9215	3	Inhibition Assay	JAK2 (IC50): Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) is purchased from Invitrogen. 0.025 mU of JAK2 is incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (5 mM MOPS pH 7.5, 9 mM MgAc, 0.3 mM EDTA, 0.06% Brij and 0.6 mM DTT, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions are stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. 
9215	4	Enzyme Assay	JAK2 (Kd): JAK2 (Invitrogen, PV4210) is used at a final concentration of 5 nM. The binding experiment is performed in 50 mM Hepes pH 7.5, 0.01% Brij-35, 10 mM MgCl2, 1 mM EGTA using 25 nM kinase tracer 236 (Invitrogen, PV5592) and 2 nM Eu-anti-GST (Invitrogen, PV5594) with varying compound concentrations. Detection of tracer is performed according to the manufacturers procedure
9215	5	Inhibition Assay	JAK3 (IC50): Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) is purchased from Invitrogen. 0.025 mU of JAK3 is incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerolphosphate, 0.01% Triton X-100, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 mM at 30° C., reactions are stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle.
9216	1	cAMP ASSAY	The activation of the SSTR4 receptor (Gi coupled) causes an inhibition of intracellular cAMP after stimulation with Forskolin, which can be quantifiable by use of a suitable assay Kit and an adequate plate reader. This technique is used to characterize pharmacological effects of the SSTR4 receptor agonists by use of hSSTR4 expressing H4 cells.Description:Compounds are dissolved and diluted in DMSO. The final test solution contains 1% DMSO. The cAMP standard (Lance cAMP 384 Kit; PerkinElmer, Cat # AD0264) is prepared in assay buffer (HBSS with 0.1% BSA, 5 mM HEPES, 0.5 M IBMX, pH 7.4) containing 1% DMSO and the cAMP standard curve is included at least on one plate. Cells are centrifuged and suspended in assay buffer (incl. 1:100 diluted Alexa antibody).For the assay 5 &#956;l of a cell suspension (approximately 5000 cells/well) incl. Alexa antibody (diluted 1:100) are added into a 384 well MTP microtitre plate excepting one row or column (depending on the plate layout), which is reserved for the standard curve. Then 2 &#956;l of compound sample is added as concentration response curve (e.g. 1e-5 M to 6e-10 M), usually in triplicates. Each assay contains incubations with vehicle controls instead of compound as controls for non-inhibited cAMP generation (100% CTL; high values ) and incubations with 1 &#956;M Somatosatin as controls for full inhibition and background (0% CTL; low values ). After approximately 10-15 min incubation time 3 &#956;l Forskolin (dissolved in DMSO, final conc. 15 &#956;M) is added. Then the plates are shaken briefly and incubated for 60 min at room temperature. After 60 min 10 &#956;l of the detection mix is added into all wells followed by an additional incubation period of 1 h. The plates are read in a suitable plate reader.The analysis of the data is based on the ratio of the time-resolved fluorescence measurements of donor and acceptor fluorophore (Ex: 320 nm; Em1: 665 nm; Em2: 615 nm; ratio 665/615). From this ratio, cAMP concentrations are calculated from standard curve and the EC50 is estimated by least square curve fit program.
9216	2	Radioligand Binding Assays	Receptor binding assays refer to a technique in which labeled receptor ligands are used to detect binding to a receptor. In competition experiments test compounds, which are not labeled, compete with the binding side of a labeled ligand. The displacement of the labeled ligand by the test compound leads to a decreased signal.Procedure:For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at room temperature. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period.The analysis of the concentration-binding curves is performed by computer-assisted nonlinear least square curve fitting method using the model of one receptor binding site.
9217	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). The data for the JAK1 and/or JAK2 inhibitors were obtained by testing the compounds in the Example A assay at 1 mM ATP.
9217	2	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) was purchased from Perking Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) was purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.). Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from GE healthcare life sciences (Piscataway, N.J.).The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perking Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
9218	1	PI3-Kinase HTRF Assay	A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used specific, high affinity binding of the GRP1 pleckstrin homology (PH) domain to PIP3, the product of a Class 1A or 1B PI3 Kinase acting on its physiological substrate PIP2. During the detection phase of the assay, a complex was generated between the GST-tagged PH domain and biotinylated short chain PIP3. The biotinylated PIP3 and the GST-tagged PH domain recruited fluorophores (Streptavidin-Allophycocyanin and Europium-labeled anti-GST respectively) to form the fluorescence resonance energy transfer (FRET) architecture, generating a stable time-resolved FRET signal. The FRET complex was disrupted in a competitive manner by non-biotinylated PIP3, a product formed in the PI3 Kinase assay.PI3 Kinase &#945;, &#946;, &#947; or &#948; activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore Corporation. Purified recombinant PI3K&#945; (catalogue No. 14-602-K), PI3K&#946; (catalogue No. 14-603-K), PI3K&#947; (catalogue No. 14-558-K), and PI3K&#948; (catalogue No. 14-604-K) were obtained from Millipore Corporation. Purified recombinant PI3K enzyme was used to catalyze the phosphorylation of phosphatidylinositol 4,5-bisphosphate (PIP2 at 10 &#956;M) to phosphatidylinositol 3,4,5-trisphosphate (PIP3) in the presence of 10 &#956;M ATP. The assay was carried out in 384-well format and detected using a Perkin Elmer EnVision Xcite Multilabel Reader. Emission ratios were converted into percent inhibitions and imported into GraphPad Prism software. The concentration necessary to achieve inhibition of enzyme activity by 50% (IC50) was calculated using concentrations ranging from 20 &#956;M to 0.1 nM (12-point curve). IC50 values were determined using a nonlinear regression model available in GraphPad Prism 5.
9218	2	PI3K-delta Selective Assay	A compound&#39;s ability in selectively inhibiting PI3K-&#948; can be assessed using RAJI cells, i.e., B lymphocyte cells derived from lymphoma patients. Briefly, serum-starved RAJI cells are stimulated with anti-human IgM, thereby causing signaling through the B-cell receptors, as described in, for example, He et al., Leukemia Research (2009) 33: 798-802. B-cell receptor signaling is important for the activation, differentiation, and survival of B cells and certain B-cell derived cancers. Reduction of phospho-AKT is indicative of compounds that may inhibit B-cell proliferation and function in certain diseases. By monitoring the reduction of phospho-AKT in stimulated RAJI cells (using for example, phospho-AKT antibodies), a compound&#39;s potential efficacy in selectively inhibiting PI3K&#948; can be assessed.
9218	3	PI3K-gamma Selective Assay	A compound&#39;s ability in selectively inhibiting PI3K-&#947; can be assessed using RAW264.7 macrophages. Briefly, serum-starved RAW264.7 cells are stimulated with a known GPCR agonist C5a. See, e.g., Camps et al., Nature Medicine (2005) 11(9):936-943. Cells can be treated with test compounds prior to, simultaneously with, or subsequent to the stimulation by C5a. RAW 264.7 cells respond to the complement component fragment C5a through activation of the C5a receptor, and the C5a receptor activates macrophages and induces cell migration. Test compounds&#39; ability to inhibit C5a-mediated AKT phosphorylation is indicative of selective inhibition of PI3K-&#947;. Thus, by monitoring the reduction of phospho-AKT in stimulated RAW 264.7 cells (using for example, phospho-AKT antibodies), a compound&#39;s potential efficacy in selectively inhibiting PI3K&#947; can be assessed.
9219	1	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays	A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 fluorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 &#956;M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
9220	1	Pore Permeation Assay	Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor. A HEK293 cell over expressing human P2X7 was harvested using HQTase reagent to detach the cells from T75 cm flask. The harvested cells are centrifuged @ 1200 rpm for 5 min at room temperature. The viability of cells was determined by Trypan blue dye and the cells are plated @ 10,000 cell/well in 50 ul volume in a 384W BD Poly lysine coated plate and incubated overnight at 37 C. After overnight incubation, the culture medium was replaced with 35 ul/well assay buffer (5 mM KCl, 0.1 mM CaCl2, 5 mM Glucose, 10 mM HEPES buffer pH7.4 containing 125 mM NaCl. The serial dilution of compounds was performed using Bravo liquid handling instrument and the compounds were added using Bravo to the cell assay plate starting at 2.5 uM with three dilutions for 10 points. The positive control inhibitor compound was added to column 23. The plate was shaken slowly on a plate shaker for 10 seconds. The cells were incubated with the compound for 20 minutes at room temperature. After the incubation period, YO PRO dye (1 uM) along with BzATP (10 uM) were added to cells at 10 ul/well. The plate was centrifuged at 1000 rpm for 5 seconds and incubated at room temperature for 30 minutes. The uptake of YO PRO dye into the cells was measured using Envision Fluorescence plate reader instrument (Perkin Elmer).
9220	2	IL-1beta Release Assay	The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1&#946; to active IL-1&#946;. The functional activity of P2X7 compounds was measured by the release of mature IL-1&#946; in the culture medium of THP-1 cells, detected by sandwich ELISA. Cells were maintained in complete growth medium (RPMI 1640+10% HI-FCS+2 mM L-glutamine+1×PS). Every 3 days, the medium was renewed by diluting the cells 1/3 to 1/4 as cell density did not exceed 0.5 million cells per ml (seeding cell density @ 1×105/ml). THP-1 cells were harvested from the flask in 50 ml by centrifugation for 3 min at 100 g. The cells were resuspended to 2×105 cells/ml in medium supplemented with 0.5 &#956;M PMA and incubated. The cells were washed and resuspended to 1.5×105 cells/ml in medium complemented with 10 ng/ml LPS, and the cells were primed for 4 h at 37° C., 5% CO2. After addition of 20 &#956;L of prediluted test compounds, blank, standard and control reagents, cells were incubated for a further 20 min at 37° C. and stimulated with 0.8 mM BzATP for 30 minutes. The cells were centrifuged, supernatant was collected and the presence of mature IL-1&#946; was detected using Dual human IL-1b kit following manufacturer&#39;s instruction. The tetrahydrobenzodiazepine analogs effectively modulated the activity of P2X7 in the cells as measured by the levels of pro-inflammatory cytokine IL-1&#946;, which is released by the activation of P2X7 receptor.
9221	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
9221	2	Human Recombinant Btk Dissociation Dialysis Assay 	A test compound was incubated with human recombinant Btk (100 nM) for 1.5 h at a concentration of 25 times the IC50 of Btk inhibition or 200 nM (whichever was greater). The incubation was performed in assay buffer (20 mM HEPES pH 7.5, 10 mM MgCl2, 2 mM dithiothreitol, 50 &#956;g/mL bovine serum albumen and 0.015% Brij 35). The reaction mixture was then dialyzed twice for 6 h each time against 1 L of assay buffer. The dialyzed reaction mixture (0.5 &#956;L) was then diluted into a solution (100 &#956;L) of ATP (2 mM) and substrate peptide (5 &#956;M Src-tide, AnaSpec) such that the final Btk concentration was 1 nM (along with any inhibitor still bound). The assay was performed in matrix polypropylene 384-well plates. The reaction progress curve was monitored on the Caliper LABCHIP by electrophoretic separation of the substrate and phosphorylated product (pressure &#8722;1.2 psi, downstream voltage &#8722;500 V, upstream voltage &#8722;2300 V). Reaction velocity was measured over the linear phase and percent recovery of Btk activity was assessed at 2 h by comparing the fraction of phosphorylated peptide product relative to a DMSO-treated Btk control reaction containing no Example inhibitor. A control reaction with no Btk was also used to measure the background signal. A reversible inhibitor would show nearly complete recovery of Btk activity, while an irreversible inhibitor, would show little or no recovery of Btk activity.
9222	1	Evaluation of Action on hERG IKr Current	Using HEK293 cell overexpressing a human ether-a-go-go-related gene (hERG), the maximum tale current of the hERG IKr current induced by redepolarization pulse subsequent to depolarization pulse was measured by a patch-clamp method. The change rate (inhibition rate) of the 10 minutes after application of the test compound, with respect to the maximum tale current before application of the test compound, was calculated (see, Biophysical Journal, Vol. 74, 230-241 (1998)). The results are shown in Table 5. As is apparent from Table 5, the compounds shown in Table 5 as the representative examples of the compounds of the present invention showed that the 50% inhibitory activity of hERG channel thereof were >10 &#956;M and less possibility of inducing Q-T extension due to drug, showing that the compounds the present invention had excellent safety.
9223	1	Human ATX Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org. Lett. 2006, 8, 2023) was labeled with MR121 fluorophore [CAS RN 185308-24-1], 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 min for 1 h (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 s, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9224	1	LSD1 histone demethylase biochemical assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). Compounds having an IC50 of 1 &#956;M or less were considered active.
9225	1	Inositol Phosphate Turnover (IP1) Assay	The assay was performed in 384-well format. HEK cells stably expressing human GPR40 were plated at 7500 cells per well in growth medium (DMEM/10% fetal calf serum). Cell plates were then incubated 16 hours at 37 degrees in a 5% CO2 incubator. Measurement of Inositol Phosphate Turnover (IP1) was performed using the CisBio IP-One kit (Part number 62IPAPEB). After the 16 hour incubation, the growth media was removed by centrifugation using the BlueWasher (AusWasher GUI Ver. v1.0.1.8) Protocol #21- Light Dry and 10 ul of stimulation buffer (prepared as described in the kit) was added to each well. In a separate plate, compounds were diluted in DMSO (200-fold over the final concentration in the assay well) and 50 nl was acoustically transferred to the appropriate well in the assay cell plate. The plates were then incubated for 60 minutes at 37 degrees in a 5% CO2 incubator. 10 ul of detection buffer (also prepared as described in the IP-One kit) was added to each well and the plates were incubated at room temperature for 60 minutes in the dark. The plates were then read in a Perkin Elmer EnVision or equivalent reader able to measure FRET. Fluorescent ratio of emission at 665 and 620 nm was then converted to IP1 concentration by back calculating from an IP1 standard curve prepared at the time of the assay. Data was normalized to % activity using a reference compound and EC50s determined using a standard 4-paramter fit.
9226	1	Caliper Kinase Assay	The analyses were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35 and 4 mM DTT). The reaction was initiated by the combination of purified protein kinase with substrates and test compounds. The reaction was incubated at room temperature for 60 min. and terminated by adding 30 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The ATP was used at a final concentration equivalent to the Km and the peptide substrate concentration was 1.5 &#956;M. Dose response curves were generated to determine the concentration required to inhibit 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
9228	1	CHO GLP-1R Clone H6 Assay 1	GLP-1R-mediated agonist activity was determined with a cell-based functional assay utilizing an HTRF (Homogeneous Time-Resolved Fluorescence) cAMP detection kit (cAMP HI Range Assay Kit; CisBio cat #62AM6PEJ) that measures cAMP levels in the cell. The method is a competitive immunoassay between native cAMP produced by the cells and exogenous cAMP labeled with the dye d2. The tracer binding is visualized by a mAb anti-cAMP labeled with Cryptate. The specific signal (i.e. energy transfer) is inversely proportional to the concentration of cAMP in either standard or experimental sample.The human GLP-1R coding sequence (NCBI Reference Sequence NP_002053.3, including naturally-occurring variant Gly168Ser) was subcloned into pcDNA3 (Invitrogen) and a cell line stably expressing the receptor was isolated (designated Clone H6). Saturation binding analyses (filtration assay procedure) using 125I-GLP-1736 (Perkin Elmer) showed that plasma membranes derived from this cell line express a high GLP-1R density (Kd: 0.4 nM, Bmax: 1900 fmol/mg protein).Cells were removed from cryopreservation, re-suspended in 40 mL of Dulbecco&#39;s Phosphate Buffered Saline (DPBS Lonza Cat #17-512Q) and centrifuged at 800×g for 5 minutes at 22° C. The cell pellet was then re-suspended in 10 mL of growth medium [DMEM/F12 1:1 Mixture with HEPES, L-Gln, 500 mL (DMEM/F12 Lonza Cat #12-719F), 10% heat inactivated fetal bovine serum (Gibco Cat #16140-071), 5 mL of 100× Pen-Strep (Gibco Cat #15140-122), 5 mL of 100×L-Glutamine (Gibco Cat #25030-081) and 500 &#956;g/mL Geneticin (G418) (Invitrogen #10131035)]. A 1 mL sample of the cell suspension in growth media was counted on a Becton Dickinson ViCell to determine cell viability and cell count per mL. The remaining cell suspension was then adjusted with growth media to deliver 2000 viable cells per well using a Matrix Combi Multidrop reagent dispenser, and the cells were dispensed into a white 384 well tissue culture treated assay plate (Corning 3570). The assay plate was then incubated for 48 hours at 37° C. in a humidified environment in 5% carbon dioxide.Varying concentrations of each compound to be tested (in DMSO) were diluted in assay buffer (HBSS with Calcium/Magnesium (Lonza/BioWhittaker cat #10-527F)/0.1% BSA (Sigma Aldrich cat # A7409-1L)/20 mM HEPES (Lonza/BioWhittaker cat #17-737E) containing 100 &#956;M 3-isobutyl-1-methylxanthin (IBMX; Sigma cat #15879). The final DMSO concentration is 1%.After 48 hours, the growth media was removed from the assay plate wells, and the cells were treated with 20 &#956;L of the serially diluted compound in assay buffer for 30 minutes at 37° C. in a humidified environment in 5% carbon dioxide. Following the 30 minute incubation, 10 &#956;L of labeled d2 cAMP and 10 &#956;L of anti-cAMP antibody (both diluted 1:20 in cell lysis buffer; as described in the manufacturer&#39;s assay protocol) were added to each well of the assay plate. The plates were then incubated at room temperature and after 60 minutes, changes in the HTRF signal were read with an Envision 2104 multi-label plate reader using excitation of 330 nm and emissions of 615 and 665 nm. Raw data were converted to nM cAMP by interpolation from a cAMP standard curve (as described in the manufacturer&#39;s assay protocol) and the percent effect was determined relative to a saturating concentration of the full agonist GLP-17-36 (1 &#956;M) included on each plate. EC50 determinations were made from agonist dose-response curves analyzed with a curve fitting program using a 4-parameter logistic dose response equation.
9228	2	CHO GLP-1R Clone C6 Assay 2	GLP-1R-mediated agonist activity was determined with a cell-based functional assay utilizing an HTRF (Homogeneous Time-Resolved Fluorescence) cAMP detection kit (cAMP HI Range Assay Kit; Cis Bio cat #62AM6PEJ) that measures cAMP levels in the cell. The method is a competitive immunoassay between native cAMP produced by the cells and exogenous cAMP labeled with the dye d2. The tracer binding is visualized by a mAb anti-cAMP labeled with Cryptate. The specific signal (i.e. energy transfer) is inversely proportional to the concentration of cAMP in either a standard or an experimental sample.The human GLP-1R coding sequence (NCBI Reference Sequence NP_002053.3, including naturally-occurring variant Leu260Phe) was subcloned into pcDNA5-FRT-TO and a clonal CHO cell line stably expressing a low receptor density was isolated using the Flp-In T-Rex System, as described by the manufacturer (ThermoFisher). Saturation binding analyses (filtration assay procedure) using 125I-GLP-1 (Perkin Elmer) showed that plasma membranes derived from this cell line (designated clone C6) express a low GLP-1R density (Kd: 0.3 nM, Bmax: 240 fmol/mg protein), relative to the clone H6 cell line.Cells were removed from cryopreservation, re-suspended in 40 mL of Dulbecco&#39;s Phosphate Buffered Saline (DPBS Lonza Cat #17-512Q) and centrifuged at 800×g for 5 minutes at 22° C. The DPBS was aspirated, and the cell pellet was re-suspended in 10 mL of complete growth medium (DMEM:F12 1:1 Mixture with HEPES, L-Gln, 500 mL (DMEM/F12 Lonza Cat #12-719F), 10% heat inactivated fetal bovine serum (Gibco Cat #16140-071), 5 mL of 100× Pen-Strep (Gibco Cat #15140-122), 5 mL of 100×L-Glutamine (Gibco Cat #25030-081), 700 &#956;g/mL Hygromycin (Invitrogen Cat #10687010) and 15 &#956;g/mL Blasticidin (Gibco Cat # R21001). A 1 mL sample of the cell suspension in growth media was counted on a Becton Dickinson ViCell to determine cell viability and cell count per mL. The remaining cell suspension was then adjusted with growth media to deliver 1600 viable cells per well using a Matrix Combi Multidrop reagent dispenser, and the cells were dispensed into a white 384 well tissue culture treated assay plate (Corning 3570). The assay plate was then incubated for 48 hours at 37° C. in a humidified environment (95% O2, 5% CO2)Varying concentrations of each compound to be tested (in DMSO) were diluted in assay buffer [HBSS with Calcium/Magnesium (Lonza/BioWhittaker cat #10-527F)/0.1% BSA (Sigma Aldrich cat # A7409-1L)/20 mM HEPES (Lonza/BioWhittaker cat #17-737E)] containing 100 &#956;M 3-isobutyl-1-methylxanthin (IBMX; Sigma cat #15879). The final DMSO concentration in the compound/assay buffer mixture is 1%.After 48 hours, the growth media was removed from the assay plate wells, and the cells were treated with 20 &#956;L of the serially diluted compound in assay buffer for 30 minutes at 37° C. in a humidified environment (95% O2, 5% CO2). Following the 30 minute incubation, 10 &#956;L of labeled d2 cAMP and 10 &#956;L of anti-cAMP antibody (both diluted 1:20 in cell lysis buffer; as described in the manufacturer&#39;s assay protocol) were added to each well of the assay plate. The plates were then incubated at room temperature and after 60 minutes, changes in the HTRF signal were read with an Envision 2104 multi-label plate reader using excitation of 330 nm and emissions of 615 and 665 nm. Raw data were converted to nM cAMP by interpolation from a cAMP standard curve (as described in the manufacturer&#39;s assay protocol) and the percent effect was determined relative to a saturating concentration of the full agonist GLP-1 (1 &#956;M) included on each plate. EC50 determinations were made from agonist dose response curves analyzed with a curve fitting program using a 4-parameter logistic dose response equation.
9229	1	In Vitro Binding Assay	Newly synthesized compounds were first evaluated for binding potency toward S1P1 by a [32P]S1P competitive binding assay following published procedure (J. Rosenberg, H. Liu, Z. Tu, A practical process for the preparation of [32P]S1P and binding assay for S1P receptor ligands, Appl. Radiat. Isot. 102 (2015) 5-9), and using S1P as a reference compound. [32P]S1P was first prepared by incubating sphingosine and [&#947;-32P]ATP with sphingosine kinase 1 as previously reported (J. Rosenberg, H. Liu, Z. Tu, A practical process for the preparation of [32P]S1P and binding assay for S1P receptor ligands, Appl. Radiat. Isot. 102 (2015) 5-9). [32P]S1P was dissolved in DMSO, and then diluted in the assay buffer (50 mM HEPES-Na with 5 mM MgCl2, 1 mM CaCl2, and 0.5% fatty acid-free bovine serum albumin, pH=7.5). Compounds were dissolved in DMSO and diluted to different concentrations with assay buffer, followed by adding commercial cell membranes expressing recombinant human S1P receptors (1, 2, 3, 4, and 5) in the assay buffer at room temperature in 96-well plate. [32P]S1P solution was then added to give a final volume of 150 &#956;L containing 0.1 nM of [32P]S1P and 1 &#956;g of membrane protein per well. Competitive binding was performed for 60 min at room temperature and terminated by collecting the membranes onto 96-well glass fiber (GF/B) filtration plates (Millipore, Billerica, Mass.). Each filter was washed with 200 &#956;L of assay buffer for five times. The filter bound radionuclide was measured by a Beckman LS3801 scintillation counter using Cherenkov counting. The reported IC50 values were calculated using the 4 parameter equation, least-square non-linear regression curve-fit, with GraphPad Prism software (GraphPad Software, Inc). Each assay was repeated at least three times with duplicate wells for each compound; the reported values (mean±SD, nM) are calculated from the average of all assays. Assays for compounds which showed no activity (IC50>1000 nM) were only repeated twice.
9230	1	KOR Antagonist Assay	The cell line for the OPRK1 antagonist assay stably expresses the following elements: The carboxy terminus of the OPRK1 receptor has a 7-amino acid linker, followed by the TEV protease cleavage site and a GAL4-VP16 fusion protein. The cell line also expresses a b-arrestin-2-TEV protease fusion protein and contains a reporter construct consisting of the UAS response element and the b-lactamase (bla) reporter gene. Upon activation of the receptor, g-protein receptor kinase (GRK) phosphorylates specific intracellular residues and this induces recruitment of B-arrestin2-TEV protease. The TEV protease recognizes and cleaves the TEV site, releasing the GAL4-VP16 fusion protein, which then translocates to the nucleus. The GAL4-V16 binds to the UAS element, driving expressing of the b-lactamase gene. B-lactamase expression is detected with the cell permeable, fluorescent substrate, CCF4-AM. This substrate consists of coumarin tethered to fluorescein via a b-lactam ring. In the absence of b-lactamase, excitation of the dye with 405 nm light results in FRET from the coumarin to fluorescein and emission of green (525 nm maximum) light. B-lactamase cleavage of the substrate separates the coumarin fluorophore from the fluorescein, and 405 nm excitation results in blue (460 nm maximum) emission. The assay is monitored by the blue/green emission ratio.OPRK1 TANGO U2OS cells are cultured in growth media (McCoy&#39;s 5 A medium, 10% Dialyzed FBS, Non-essential amino acids, 25 mM HEPES, 1 mM sodium pyruvate, penicillin/streptomycin). Two million cells are added to a T175 flask in 30 mL of growth medium and incubated at 37° C./5% CO2 for four days at which point they are 70-90% confluent. Growth medium is removed by aspiration, 5 mL of 0.25% Trypsin/EDTA is added to the flask and gently washed over the cells. The trypsin is then removed by aspiration. Cells are allowed to round up and are detached by tapping the flask. Cells are suspended in assay medium (DMEM high glucose with 1% charcoal dextran stripped FBS, Non-essential amino acids, 25 mM HEPES, 1 mM sodium pyruvate, penicillin/streptomycin) triturated, counted and pelleted by centrifugation. Cells are resuspended at 1.6 million cells per mL and 10 ul added to each well of a black, clear-bottom 384-well assay plate (Greiner part number 788092). Assay plates are placed in a humidified box and incubated 16-24 hours at 37° C./5% CO2. Compounds dissolved in DMSO are serially diluted in DMSO in a 384-well polypropylene plate. 50 nl of each compound dilution is added to the wells of the assay plate using pintools. Control wells receive 50 nl DMSO. The plates are returned to the incubator for 30 minutes. After the preincubation with compound, 50 nl of 600 nM (&#8722;)-U-50,488 (agonist challenge) is added to the compound wells of the assay plate. Control wells receive 50 nl of 5.6 uM (&#8722;)-U-50,488 (100% response control), 50 nl of 600 nM (&#8722;)-U-50,488 (EC80 control) or 50 nl of DMSO (0% response control). Assay plates are returned to the incubator for 4 hours at 37° C./5% CO2. Assay plates are then removed from the incubator and 2.5 ul of LiveBlazer CCF4-AM substrate dye (Invitrogen) is added to each well. The assay plates are then placed on the benchtop for two hours at room temperature covered in foil to avoid light.The plates are then read on a fluorescence plate reader with an excitation wavelength of 405 nm and emission wavelengths of 460 nm and 525 nm. Results are calculated using the blue/green emission ratio. Percent inhibition is calculated by the following equation, with IC50 being the concentration of compound required to achieve 50% inhibition.
9230	2	OPR Mu Antagonist Assay	The purpose of this assay is to confirm the potency and selectivity of compounds synthesized to be OPRK1 Antagonists. This assay monitors the OPRMu1 activation, in membrane recruitment of &#946;-arrestin. The assay monitors GPCR-&#946;-arrestin proximity using low affinity fragment complementation of beta-galactosidase (beta-gal). It employs U20S cells which express OPRMu1 fused to the complementary beta-gal fragment (enzyme acceptor). As designed, compounds that act as antagonists will prevent receptor activation resulting in reduce well luminescence. Compounds were tested in triplicate using a 10-point, 1:3 dilution series starting at a nominal concentration of 10 micromolar.The Discover X OPRMu1-U20S cell line was routinely cultured in T175 flasks at 37° C., 5% CO2 and 95% relative humidity (RH). The growth media consisted of DMEM/F12 1:1 Media supplemented with 10% v/v heat inactivated fetal bovine serum, 25 mM HEPES, Non-essential amino acids, 1 mM Sodium Pyruvate, 1× antibiotic mix (penicillin streptomycin) plus 500 ug/mL Geneticin and 300 ug/mL Hygromycin (selection antibiotics).On Day 1 of the assay, 5000 cells in 20 ul of assay buffer (Discover X&#39;s Cell Plating Reagent 5) were seeded into each well of a 384 Corning 3570 standard white plate, and incubated 16-24 hours at 37° C., 5% CO2 and 95% (RH). On Day 2, 100 nl of test compound in DMSO was added to the appropriate wells, 100 nl of DMSO added to control wells and plates were incubated for 30 min at 37° C., 5% CO2 and 95% (RH). Next 100 nl of DAMGO OPRMu1 or DMSO in assay media (EC80 Challenge consists of 100 nl of 50 uM DAMGO, final assay concentration=250 nM, 100% Response wells receive 100 nl 200 uM DAMGO). After incubation for 3 hours at 37° C., 5% CO2 and 95% (RH), 10 ul of Path Hunter Detection Mix is added to each well, plate placed on a plate rotator/mixer for 10 minutes and then incubated at room temperature, in the dark for 1 hour. Well luminescence was measured on Perkin Elmer&#39;s Envision.The Percent Inhibition was calculated from the median ratio as follows:% &#8290; &#8290; Inhibition = 100 - ( 100 &#8290; ( Compound &#8290; &#8290; Well - 0 &#8290; % &#8290; &#8290; Response &#8290; &#8290; Well EC &#8290; &#8290; 80 &#8290; &#8290; Control &#8290; &#8290; Well - 0 &#8290; % &#8290; &#8290; Response &#8290; &#8290; Well ) )where: COMPOUND WELL is defined as the well containing test compound; EC80 CONTROL WELL is defined as wells containing DAMGO challenge (250 nM final)=0% inhibition; and 0% RESPONSE WELL is defined as wells containing DMSO=100% inhibition. IC50 is defined as the concentration of compound required to achieve 50% inhibition.
9231	1	Inhibition of Lysine Gingipain	The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to those described in Barret Biochemical Journal. 1980, 187(3), 909. The specific assay conditions were as follows. Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions. Protein: 0.1 nM Kgp, isolated from culture of Porphyromonas gingivalis, as described in Pike et al. J. Biol. Chem. 1994, 269(1), 406, and Potempa and Nguyen. Current Protocols in Protein Scienc. 2007, 21.20.1-21.20.27. Fluorogenic substrate: 10 uM Z-His-Glu-Lys-MCA. Time=90 minutes. Temperature=37° C. Each compound: 10 concentrations, starting at either 100 uM or 100 nM, with lower concentrations generated by serial 3-fold dilutions. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 50% (the IC50 ) was determined. Under the described assay conditions, signal-to-noise was excellent, and Z factor was greater than 0.6.
9232	1	biochemical assay	The biochemical assay tests competitive binding of compounds to recombinant Hsp90&#945; protein and also Hsp90 found in cell specific complexes, and uses a fluorescence polarization method. When using cell lysates instead of recombinant protein, the assay measures binding to average.
9233	1	EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen	To assess the compounds&#39; potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of twelve concentrations. Then compounds at each concentration (75 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. 8 uL of solutions containing 30 nM EED (1-441)-His protein and 15 nM biotin-H3K27Me3 (19-33) peptide in the buffer (25 mM HEPES, pH 8, 0.02% Tween-20, 0.5% BSA) were added to the wells and then incubated with compound for 20 min. AlphaScreen detection beads mix was prepared immediately before use by mixing nickel chelate acceptor beads and streptavidin donor beads in a 1:1 ratio (Perkin Elmer, Product No. 6760619C/M/R) into the buffer described above. Then 4 &#956;L of detection beads mix was added to the plate and incubate in the dark at the rt for 1 h. The final concentration of donor and acceptor beads was 10 &#956;g/mL for each. Plates were read on EnVision (PerkinElmer) using the AlphaScreen setting adapted for optimal signal detection with a 615 nm filter, after sample excitation at 680 nm. The emission signal at 615 nm was used to quantify compounds inhibition. AlphaScreen signals were normalized based on the reading coming from the positive (maximum signal control) and negative controls (minimum signal control) to give percentage of activities left. The data were then fit to a dose response equation using the program Helios (Novartis) to get the IC50 values. Helios is a Novartis in-house assay data analysis software using the methods described by Normolle, D. P., Statistics in Medicine, 12:2025-2042 (1993); Formenko, I. et al, Computer Methods and Programs in Biomedicine, 82, 31-37 (2006); Sebaugh, J. L., Pharmaceutical Statistics, 10:128-134 (2011); Kelly, C. et al., Biometrics, 46(4):1071-1085 (1990); and Kahm, M. et al., Journal of Statistical Software, 33 (7): (2010) (grofit: Fitting Biological Growth Curves with R, pages 1-21, available at http://www.jstatsoft.org/).Each compound was counter screened to determine if it interfered with the AlphaScreen beads. Compounds were diluted as described in the preceding section, and the assay was performed by adding 12 &#956;L of 10 nM biotin-miniPEG-His6 peptide in the above buffer and incubating for 20 min at rt prior to addition of the beads to 10 &#956;g/mL each. The plates were then incubated for 1 h at rt in dark before being read on EnVison.
9233	2	EED LC-MS Assay	Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrations. Then the test compounds at each concentration (120 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. Solutions (6 &#956;L) of 24 nM the wild type PRC2 (wtPRC2) complex and 2 &#956;M SAM in reaction buffer (20 mM Tris, pH 8.0, 0.1% BSA, 0.01% Triton, 0.5 mM DTT) were added to the wells that were then incubated with the test compound for 20 min. A 6 &#956;L solution of 3 &#956;M of the peptide substrate H3K27Me0 (histone H3[21-44]-biotin) in reaction buffer was added to initiate each reaction. The final components in the reaction solution include 12 nM wtPRC2 complex, 1 &#956;M SAM, and 1.5 &#956;M H3K27me0 peptide with varying concentration of the compounds. A positive control consisted of the enzyme, 1 &#956;M SAM and 1.5 &#956;M substrate in the absence of the test compound, and a negative control consisted of 1 &#956;M SAM and 1.5 &#956;M substrate only. Each reaction was incubated at rt for 120 min, then stopped by addition of 3 &#956;L per of quench solution (2.5% TFA with 320 nM d4-SAH). The reaction mixture was centrifuged (Eppendorf centrifuge 5810, Rotor A-4-62) for 2 min at 2000 rpm and read on an API 4000 triple quadrupole mass spec with Turbulon Spray (Applied Biosystem) coupled with Prominence UFLC (Shimadzu). The levels of SAH production were then normalized based on the values coming from the positive and negative controls to give percent enzyme activities. The data were then fit to a dose response equation using the program Helios to get the IC50 values of the test compound.
9233	3	ELISA (H3K27 Methylation) Assay	Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrations. Then the compounds were added to G401 cell cultured in 384-well plate at 1:500 dilution to obtain the highest concentration of 20 &#956;M. The cells were further cultured for 48 h before ELISA procedure.Histone extraction: Cells, in 384-well plate, were washed with PBS (10×PBS buffer (80 g NaCl (Sigma, S3014), 2 g KCl (Sigma, 60128), 14.4 g Na2HPO4 (Sigma, S5136), 2.4 g KH2PO4 (Sigma, P9791) to 1 L water, pH to 7.4) and lysed with the addition of lysis buffer (0.4N HCl; 45 &#956;L per well). The plate was gently agitated at 4° C. for 30 min. The cell lysate was neutralized with neutralization buffer (0.5 M sodium phosphate dibasic, pH 12.5, 1 mM DTT; 36 &#956;L per well). The plate was agitated to ensure the lysates were well mixed prior to the ELISA protocol.ELISA protocol: Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 &#956;L per well with PBS. The plate was sealed, centrifuged at 2,000 rpm for 2 min and incubated at 4° C. for about 16 h. The plate was washed with TBST buffer (1×TBS (10×TBS: 24.2 g Tris (Sigma, T6066), 80 g NaCl (Sigma, S3014) to 1 L of water and adjust pH to 7.6 with HCl) with 0.1% Tween-20). Blocking buffer (TBST, 5% BSA; 50 &#956;L per well) was added and the plate was incubated for 1 h at rt. The blocking buffer was removed and primary antibody was added (30 &#956;L per well). The following dilutions were performed with blocking buffer: for anti-H3K27me3 antibody (Cell Signaling Technology, #9733), dilution was 1:1000; for anti-H3K27me2 antibody (Cell Signaling Technology, #9288), dilution was 1:100; for anti-H3 antibody (Abcam, Cat #24834), dilution was 1:1000. The primary antibody was incubated in the plate at rt for 1 h. The wells were washed with TBST and incubated with secondary antibody for 1 h at rt. For secondary antibodies, the following dilutions were carried out with blocking buffer: anti-rabbit antibody (Jackson ImmunoResearch, #111-035-003), dilution was 1:2000; and anti-mouse antibody (Cell signaling technology, #7076), dilution was 1:1000. After 1 h of incubation at rt, the wells were washed with TBST. ECL substrate (Pierce, #34080) was added at 30 &#956;L per well and the plates were centrifuged at 2,000 rpm for 2 min. The signal was read using a PerkinElmer Envision Reader. The H3K27 methylation readouts were normalized using H3 signal and then percentage inhibition was calculated against the samples treated with DMSO. The data were then fit to a dose response curve using the program Helios to get the IC50 values of the test compound.
9234	1	Exemplary MCL-1 Inhibitors Bind MCL-1	The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay. Tb-anti-GST antibody was purchased from Invitrogen (Catalog No. PV4216). The ability of exemplary MCL-1 inhibitors Example 1 to Example 3 to compete with probe F-Bak for binding MCL-1 was demonstrated using a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay.MethodFor the assay, an acoustic dispenser was used to prepare dilution series from 10 mM test compounds in 100% DMSO and directly transfer 160 nL into low volume 384-well assay plates. 8 &#956;L of a protein/probe/antibody mix was then added to each well resulting in final concentrations listed below: Test compound: 11 three-fold dilutions beginning at 25 &#956;MProtein: GST-MCL-1 &#8195;1 nM Antibody Tb-anti-GST &#8195;1 nM Probe: F-Bak 100 nMThe samples were then mixed on a shaker for 1 minute and incubated for an additional 2 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-his antibody) emission filters. Dissociation constants (Ki) were determined using Wang&#39;s equation (Wang, 1995, FEBS Lett. 360:111-114). The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) or fetal bovine serum (FBS).
9234	2	Exemplary MCL-1 Inhibitors Bind MCL-1 in the presence of 10% HS	The ability of the exemplary MCL-1 inhibitors of Examples 1 through 151 to bind MCL-1 was demonstrated using the Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay. Tb-anti-GST antibody was purchased from Invitrogen (Catalog No. PV4216). The ability of exemplary MCL-1 inhibitors Example 1 to Example 3 to compete with probe F-Bak for binding MCL-1 was demonstrated using a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) binding assay.MethodFor the assay, an acoustic dispenser was used to prepare dilution series from 10 mM test compounds in 100% DMSO and directly transfer 160 nL into low volume 384-well assay plates. 8 &#956;L of a protein/probe/antibody mix was then added to each well resulting in final concentrations listed below: Test compound: 11 three-fold dilutions beginning at 25 &#956;MProtein: GST-MCL-1 &#8195;1 nM Antibody Tb-anti-GST &#8195;1 nM Probe: F-Bak 100 nMThe samples were then mixed on a shaker for 1 minute and incubated for an additional 2 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-his antibody) emission filters. Dissociation constants (Ki) were determined using Wang&#39;s equation (Wang, 1995, FEBS Lett. 360:111-114). The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) or fetal bovine serum (FBS). Compounds were tested in the presence of 10% HS.
9235	1	kinetic binding analysis	Dual histidine and Avi tagged human EIF4E (His6-3C-avi-eIF4E) was expressed in 8 L of TB Media. Induction by 0.4 mM IPTG occurred at 2.0 OD600, and cells were harvested at 15 OD600. 225 gram pellet was diluted in buffer (50 mM Tris, 500 mM NaCl, 2 mM MgCl2, 1 mM TCEP, pH 7.5 containing 10% glycerol, protease inhibitors, and DNase) to volume of 600 mL and passed once over the microfluidizer. Sample was run on 5 mL HisTrap HP IMAC at 4.0 mL/min IMAC with a 25 mM to 500 mM imidazole gradient for one column volume. GST-PreScission Protease (2 mg, made in-house) was added to sample and allowed to react overnight at 4° C. The cleaved pool was passed over 0.5 mL GST and 0.5 IMAC resin in a gravity column. Sample volume was increased to 800 mL using 50 mM Tris pH 7.5, 1 mM TCEP and passed over a 5 mL hiTrap SP FF at 4.0 mL/min with a 0 to 1 M NaCl gradient over 20 column volumes. Sample was then injected onto a 124 mL S75 Gel Filtration Column at 20 mg/mL. Final Avi-eIF4E (26931 Da) was diluted to 1 mg/mL in 1× Bicine buffer to a volume of 2.5 mg and mixed with ATP/Biotin Mix (10 mM ATP, 10 mM Mg(OAc)2, 50 &#956;M d-biotin final). Biotin Ligase (25 &#956;g BirA produced in house) was added to reaction. Reactions were performed with mixing (500 rpm) on Eppendorf ThermoMixer R at 30° C. for 60 minutes and checked for completeness using LC-MS. To the sample, 100 &#956;l of immobilized glutathione (1:1 with buffer) was add and mixed for 15 min at 4° C. to bind C3 and Bir3 and removed by centrifugation. The sample was buffer exchanged using two consecutive PD-10 columns equilibrated with 20 mM HEPES, 100 mM KCl, 1 mM DTT, pH 7.5.Due to low eIF4E stability, the streptavidin coated chip was prepared and run at 10° C. on the Biacore T200. The eIF4E (0.04 mg/mL, 150 &#956;l) was bound to the sample channel of Series S Sensor Chip SA (GE Life Sciences, BR-1005-31) to surface density of 5000 to 7000 RU (Response Units). Buffer flowed over the chip at 30 &#956;L/min, using 1×PBS, 50 mM NaCl, 0.1% Glycerol, 0.1% CHAPS, and 1% DMSO. Samples of various cap analogs were diluted to various concentrations in a range of 100 &#956;M to less than 1 nM. Samples were injected into the Biacore chip with a two minute association time and a five minute dissociation time. Several buffer injections were done for each sample for blank subtraction.Analysis was done for all sets using Biacore T200 evaluation software. Binding analysis for all compounds is reported as response units at 1 micromolar compound where a higher value for RU is interpreted as greater ligand binding to the surface immobilized eIF4E protein. A subset of compounds was further characterized to determine dissociation constants using kinetic binding. Steady State Affinity fits were done with default settings (4 seconds before injection stop with 5 second window). Kinetic fits were normally done with 1:1 binding model, with constant RI=0 and all other variables set to fit globally.
9235	2	thermodynamic (Steady State Affinity) binding analysis	A subset of compounds was further characterized to determine dissociation constants using thermodynamic (Steady State Affinity) binding analysis.
9236	1	Fluorescent Displacement Assay	A Nunc black plate was used as a 96-well plate for the purpose of measurement, and to each well was added 40 &#956;L of sodium phosphate buffer and a sodium phosphate buffer solution of FABP3 (AVISCERA BIOSCIENCE) (250 nM, 25 &#956;L), and for a blank, 25 &#956;L of sodium phosphate buffer was added. To each well was added as a detection reagent, a 1,8-ANS (ALDRICH) solution (10 &#956;M, ethanol/sodium phosphate buffer solution=1:4 v/v, 25 &#956;L), and ethanol solutions of compounds diluted to different concentrations were added in an amount of 10 &#956;L each (the final ethanol concentration was 15%). The plate was shaken for 10 sec. in the plate reader and incubated for 10 min. at room temperature. Then, it was subjected to fluorescent measurement at an excitation wavelength of 355 nm and a measurement wavelength of 460 nm. Used for measurement was ARVO X One by PerkinElmer Japan.
9237	1	Kinase Enzymatic Assay	Human RET kinase cytoplasmic domain (amino acids 658-1114 of accession number NP_000314.1) was expressed as an N-terminal GST-fusion protein using a baculovirus expression system. GST-RET was purified using glutathione sepharose chromatography. The RET kinase enzymatic assay was performed in a total volume of 10 uL with increasing concentrations of RET kinase inhibitor as a singlet in a 384 well format as follows: RET inhibitor compound plates are prepared by adding 100 nL of RET inhibitor at different concentrations to a 384-well plate. 5 &#956;L/well of a 2× enzyme mix (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid); 1 mM CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate); 0.1 mg/mL BSA (bovine serum albumin); 1 mM DTT (dithiothreitol); 0.2 nM RET kinase) was added to the 384-well plate and incubated for 30 minutes at 23° C. 5 &#956;L/well of a 2× substrate mix (50 mM HEPES; 1 mM CHAPS; 0.1 mg/mL BSA; 20 &#956;M adenosine triphosphate; 20 mM MgCl2 and 1 &#956;M biotinylated peptide substrate) was added and incubated for 1 hour at 23° C. 10 &#956;L/well of 2× stop/detection mix (50 mM HEPES; 0.1% BSA; 800 mM Potassium Fluoride; 50 mM EDTA (Ethylenediaminetetraacetic acid); 200× dilution of Europium Cryptate labeled anti-phosphotyrosine antibody; 62.5 nM Streptavidin-XL665) incubated for 1 hour at 23° C. and read on a Homogenous Time-Resolved Fluorescence reader. 
9238	1	Biochemical Assay	Compounds were solubilized in DMSO and serially diluted, using 3-fold dilutions, into 100% DMSO at a concentration 50-fold greater than the desired assay concentration. Following dilution, 1 ul was added to an empty 96-well microtiter plate. PRMT5/MEP50 protein complex was combined with H4(1-21) peptide (SGRGKGGKGLGKGGAKRHRKV) in PRMT5 assay buffer (50 mM Tris pH 8.5, 50 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 1 mM TCEP) and 44 ul was added to the microtiter plate containing compound. S-Adenosyl-L-methionine (SAM) was prepared by combining 3H labelled SAM with unlabelled SAM in PRMT5 assay buffer such that the final SAM concentration was 10 uM and the specific activity was 0.2 uCi/ul. The reaction was initiated by adding 5 ul of SAM stock to the microtiter plate. The final reaction conditions were 10 nM PRMT5/MEP50 complex, 200 nM peptide and 1 uM SAM. Following a 25 minute incubation at room temperature, the reaction was stopped with the addition of 100 uL of 20% TCA. The 3H-peptide product was captured using a 96-well filter plate (MSIPN4B, Millipore) and washed 5 times with PBS buffer. Scintillation fluid (100 ul) was added to the dried filter plate and counted in a liquid scintillation counter. IC50 values were determined by fitting the data to the standard 4-parameter dose response equation using Pfizer proprietary software.
9239	1	In Vitro Activity Assay	C-Raf TR refers to a truncated C-Raf protein, a &#916;1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an inactivating K97R ATP binding site mutation is utilized as a RAF substrate. The MEK1 cDNA was subcloned with an N-terminal (his)6 tag into a vector for E. Coli expression. The MEK1 substrate was purified from E. Coli lysate by nickel affinity chromatography followed by anion exchange. The final MEK1 preparation was biotinylated (Pierce EZ-Link Sulfo-NHS-LC-Biotin) and concentrated.Assay MaterialsAssay buffer: 50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% Bovine Serum Albumin (BSA), 1 mM dithiothreitol (DTT)Stop buffer: 60 mM ethylenediaminetetraacetic acid (EDTA), 0.01% Tween 20b-Raf(V600E), activebiotinylated Mek, kinase deadAlpha Screen detection kit (available from PerkinElmer , #6760617R)Anti phospho-MEK1/2 (available from Cell Signaling Technology, Inc. #9121)384 well low volume assay plates (White Greiner plates)Assay Conditionsb-Raf(V600E) approximately 4 &#956;Mc-Raf approximately 4 nMbiotinylated Mek, Kinase dead approximately 10 nMATP 10 &#956;M for BRAF(V600E) and 1 uM for CRAFPre-incubation time with compounds 60 minutes at room temperatureReaction time 1 or 3 hours at room temperatureAssay ProtocolRaf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 5 ml per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.25 ml of 40× of a Raf kinase inhibitor test compound diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature.The Raf kinase activity reaction was started by the addition of 5 mL per well of 2×ATP diluted in assay buffer. After 3 hours (b-Raf(V600E)) or 1 hour (c-Raf). The reactions were stopped and the phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 10 mL to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:2000 dilution of both beads) in Stop/bead buffer (25 mM EDTA, 50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and incubated for 1 hour at room temperature, then the luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated b
9240	1	Inhibition Assay	The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA into DAG.Methods: Commercial microsomal preparations containing 60 ug of protein are incubated in assay buffer [20 uM 1,2-didecanloyl glycerol, 5 uM 14C decanoyl-CoA, 5 mM MgCl2, 0.4% BSA, 0.1% dimethyl sulfoxide (DMSO), 50 mM HEPES-pH 7.5] in the presence of varying concentrations of inhibitors that are dispensed from 100% DMSO stock solutions. Final assay volumes are 200 uL. Reactions are carried out for 45 minutes in 96-well polystyrene microtiter plates at ambient temperature. Following the ambient temperature incubation, assay mixtures are applied to a 96-well filter plate (Catalog # MSHVN4510, Millipore Inc.; Billerica, Mass.) under vacuum. The filter plate is pre-equilibrated with 100 uL of 70% ethanol followed by 200 uL of assay buffer. Filters are dried, removed and placed in scintillation vials with 4 mL of scintillation cocktail (Catalog #6013329; PerkinElmer Inc.; Waltham, Mass.). De novo 14C-TAG formed in the assay and trapped on the filters is quantified with use of a liquid scintillation counter (Model # LS6500 Beckman Coulter, Inc.; Fullerton, Calif.). The IC50 is defined as the concentration of compound that results in a 50% reduction in TAG synthesis.
9241	1	Binding Assay	GTP&#947;S:Compounds were loaded in a 384 Falcon v-bottom plate (0.5 &#956;l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 &#956;l/well, final protein 3 &#956;g/well) with MULTIDROP . [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA(ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 &#956;M GDP, 0.1% fatty acid free BSA, and 10 &#956;g/ml Saponin to 0.4 nM. 40 &#956;l of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 &#956;l) was added to each well for counting on the Packard TOPCOUNT .
9242	1	Inhibitory Activity Assay	Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES-1 enzyme was diluted with a sodium phosphate buffer (pH 7.2) containing reduced glutathione (2.5 mM) and EDTA (1 mM), DMSO or a DMSO solution of a test compound (final concentration of DMSO was 1%) was added to the enzyme, and the mixture was preincubated at 4° C. for 15 minutes. Then, PGH2 as the substrate was added at a final concentration of 1 &#956;M to start the enzymatic reaction, and after incubation at 4° C. for 4 minutes, a solution of ferric chloride (25 mM) and citric acid (50 mM) was added to terminate the enzymatic reaction. Generated PGE2 was measured by using Prostaglandin E2 Express EIA Kit (Cayman Chemical).
9243	1	Biochemical Assay	Biochemical IC50s were measured at Invitrogen using Z-lyte technology. Briefly, for STK4, the 2×STK4 (MST1)/Ser/Thr 07 mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consisted of 6.25-160 ng STK4 (MST1) and 2 &#956;M Ser/Thr 07 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:100000 dilution of Development Reagent A was added. Compounds were screened in a 10 point titration with 3-fold serial dilutions starting at a concentration of 10 &#956;M. The biochemical IC50s against other STK family members were measured similarly. The ATP concentration used matched the Km for each kinase.
9244	1	ADPGlo Assay	The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by incubating 10 nM of each kinase in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 &#956;m Na3VO4, 10 mM &#946;-Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 and 15 &#956;m ATP for 60 min at 32° C. in the presence or absence of compound diluted in DMSO. The amount of generated ADP is a measure of kinase activity and is quantified using the ADP-Glo&#153; Kinase Assay (Promega) according to manufacturer&#39;s instructions. ADP is converted to ATP by adding 3 ul of ADP-Glo&#153; Reagent and incubation at 32° C. for 60 min. ATP is subsequently converted into a bioluminescent signal by adding 6 ul luciferase assay reagents (Kinase detection buffer+Kinase Detection Substrate (Promega)) and further incubation at 32° C. for 60 min. For the measurement of luminescence a PHERAstar&#153; Multilabel Reader was used at a measurement interval time of 0.1 second (optical module for luminescence measurements in the 230 nm to 750 nm wavelength range). 
9244	2	Caliper Assay	In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples ( 12-sipper chip , Caliper Technologies Corp., Mountain View, USA). In order to allow the detection and quantification of the peptides in the capillary system, the peptides carry a fluorescent label (fluorescein). With this label the peptides can be quantified by fluorescence intensity through the instruments laser and detection system (LC3000, Caliper Life Sciences).The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 10 nM of each kinase together with 2 &#956;m of the fluorescently labeled substrate peptide 5-Fluo-Ahx-KKYQAEEN-T-YDEYENKK-amid (10 mM stock solution in DMSO) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 &#956;m Na3VO4, 10 mM &#946;-Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 (ALK1 and ALK6 7 mM) and 15 &#956;m ATP for 60 min at 30° C. in the presence or absence of compound diluted in DMSO.Kinase reaction were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstation (Caliper Technologies Corp., Mountain View, USA) for reading. The relative amount of phosphorylated peptide r, was calculated using the heights of the substrate peak, s, and the product peak, p: r=p/(p+s).
9245	1	Biochemical Protein-Protein Interaction Assay	Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extracellular domains of PD-1/PD-L1 or CTLA/CD80. Binding of the protein pairs is measured using a bead based Amplified Luminescent Proximity Homogeneous Assay (ALPHA) platform. Binding of each protein pair results in proximity of the donor and acceptor beads which leads to an increase in ALPHA signal. Disruption of the protein-protein interaction with a test compound results in a decrease in ALPHA signal. Assays are performed in 25 mM Hepes (pH 7.4), 150 mM NaCl, 3.4 mM EDTA, 0.005% Tween 20, and 0.01% BSA. Final protein concentration in the assays were 0.3 nM (His tagged PD-L1), 2.5 nM (biotinylated Fc-PD-1), 1 nM (His tagged CTLA4) and 1 nM (biotinylated CD80). After an assay reaction time of 60 minutes at 25° C., binding was measured with addition of 20 &#956;g/mL ALPHA assay acceptor beads (anti-His coated) and 20 g/mL ALPHA assay donor beads (streptavidin coated). IC50 values were calculated from the fit of the dose-response curves to a four-parameter equation.
9246	1	FLIPR Assay (15 minutes)	The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 10 minutes or 90 minutes at room temperature prior to adding agonist. Following this incubation, about an EC80 concentration of cinnamaldehyde (75) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.The IC50 results were fit with a standard Hill function, keeping the Hill coefficient (n) fixed to 1.5. Fixing the Hill coefficient will generally reduce variability of the IC50 determination. The IC50 results were individually examined to make sure the MIN and MAX points were set correctly prior to validation of the results.
9246	2	FLIPR Assay (90 minutes)	The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 90 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 10 minutes or 90 minutes at room temperature prior to adding agonist. Following this incubation, about an EC80 concentration of cinnamaldehyde (75) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.The IC50 results were fit with a standard Hill function, keeping the Hill coefficient (n) fixed to 1.5. Fixing the Hill coefficient will generally reduce variability of the IC50 determination. The IC50 results were individually examined to make sure the MIN and MAX points were set correctly prior to validation of the results.
9247	1	FLIPR Assay (15 minutes)	The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 10 minutes or 90 minutes at room temperature prior to adding agonist. Following this incubation, about an EC50 concentration of cinnamaldehyde (75) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.The IC50 results were fit with a standard Hill function, keeping the Hill coefficient (n) fixed to 1.5. Fixing the Hill coefficient will generally reduce variability of the IC50 determination. The IC50 results were individually examined to make sure the MIN and MAX points were set correctly prior to validation of the results.
9247	2	FLIPR Assay (90 minutes)	The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 90 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 10 minutes or 90 minutes at room temperature prior to adding agonist. Following this incubation, about an EC50 concentration of cinnamaldehyde (75) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.The IC50 results were fit with a standard Hill function, keeping the Hill coefficient (n) fixed to 1.5. Fixing the Hill coefficient will generally reduce variability of the IC50 determination. The IC50 results were individually examined to make sure the MIN and MAX points were set correctly prior to validation of the results.
9248	1	Kinase Selectivity Assay	Preparation of Compounds to be Tested:1) Using DMSO to prepare 50× compound stock solutions (same as the stock solution in Example 34) for later use;2) diluting each compound at a 5-fold concentration gradient in a 96-well plate to 6 to 7 concentrations and ensuring that the drug volume in each well was 10 &#956;l; and at the same time adding 100 &#956;l of DMSO to prepare a blank control group and also preparing a negative control group without the enzyme substrate; and3) preparing another 96-well plate, adding 10 &#956;l of each of the above compounds to 90 &#956;l of the 1× kinase base buffer and mixing for 10 minutes to be uniform.Preparation of the Plate to be Tested:1) 5 &#956;l of the mixed solution prepared as above in the 96-well plate was taken and transferred to a 384-well plate, with two replicate wells for each compound.Kinase Reaction:1) Preparing a 2.5× kinase solution and adding a corresponding 1× kinase base buffer;2) preparing a 2.5× polypeptide solution and adding FAM-labeled polypeptide and ATP in the 1× kinase base buffer; and3) adding 10 &#956;l of 2.5× kinase solution to a 384-well plate to be tested, placing in a room-temperature environment for 10 minutes, and then adding 10 &#956;l of the 2.5× polypeptide solution, reacting at 28° C. for 1 hour, and then adding 25 &#956;l of a reaction stop buffer.
9248	2	In-Vitro Btk Kinase Inhibitory Activity Assay	The drug was dissolved in DMSO to make a 10 mM (mmol/L) stock solution, and the stock solution was then diluted to a drug solution with 50× test concentrations for later use, wherein the test concentrations were reached through dilution at a 3-fold gradient and were 25 nM (nmol/L), 8.33 nM, 2.78 nM, 0.93 nM, 0.31 nM, 0.10 nM, respectively. 10 &#956;L of the 50× drug stock solution was added to a 96-well plate and then 90 &#956;L of a 1× Kinase Buffer was added and the 96-well plate was shaken for 10 minutes on a shaker. From each well of the 96-well plate, 5 &#956;L of the drug solution was taken and then transferred to a 384-well plate which was provided with 2 duplicate wells.Kinase Reaction:Preparation of a 2.5× Kinase Buffer: an enzyme was added to the 1× kinase base buffer.Prepare a 2.5× oligopeptide solution: FAM-labeled oligopeptide and ATP were added to the 1× kinase base buffer.10 &#956;L of the 2.5× Kinase Buffer was added to the 384-well plate loaded with 5 &#956;L of the drug solution and incubation was then carried out for 10 minutes at room temperature. 10 &#956;L of the 2.5× oligopeptide solution was added to the 384-well plate and incubation was then carried out for 1 hour at 28° C. The reaction was stopped by adding 25 &#956;L of a stop buffer. The readings were recorded and the inhibition rate of the compound on the enzyme was calculated. The IC50 of BTK kinase was calculated by fitting.
9249	1	Biochemical Assay	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.002% Tween20, 1 mM TCEP, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 30 &#956;l in assay buffer, with 300 nM histone H4 based AcH4-23 (Anaspec: AS-65002) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 2.5 nM and the compounds were allowed to preincubate for 20 minutes at 37° C. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer: NET155001MC) to final concentration of 1 &#956;M. Following a 30 minutes incubation at 37° C., the reaction was stopped by adding 25 &#956;L of 8M Guanidine HCl. Prepare streptavidin YSI SPA beads (Perkinelmer: RPNQ0012) at 0.3 mg/mL in assay buffer. To each reaction, add 150 &#956;L of SPA beads suspension, and incubated while shaking at room temperature for 30 minutes. The plate was centrifuged at 100×g for 30 second before reading in a scintillation counter. IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
9250	1	 Binding Assay 	The binding of potential ligands to ROR&#947; is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA). The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 &#956;g/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM, for 10 min at rt in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% glycerol (Sigma Cat # G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined. 
9251	1	Biological Assay	For exemplary compounds of the disclosure, Ki for inhibition of MALT1 was measured (Table E11). A concentration of 100 nM MALT1 was used for the assay.
9252	1	ATR Activity Assay	ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). The assay measures the amount of phosphorylated peptide by time-resolved fluorescence (TR-FRET). Streptavidin-XL665 (Cisbio, reference #610SAXLB), an anti-Rad17-phospho-serine 645 specific antibody (available from either Imgenex/Biomol, reference # IMG-6386A, or from Lifespan, reference # LS-C43028) and antiRabbit-lgG-Europium (Perkin Elmer, reference # AD0083) are employed to specifically detect phosphorylated biotin-peptide, but not non-phosphorylated peptide. Excitation of Europium with 337 nm light results in emission of fluorescent light with 620 nm. In case a tetrameric detection complex has formed, part of the energy will be transferred to the Streptavidin-XL665 fluorophor that itself emits light of 665 nm. Unphosphorylated peptide does not give rise to light emission at 665 nm, because no FRET-competent detection complex can be formed.For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution (expression and purification: see above) was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM dithiothreitol (DTT), 0.01% (w(v) Igepal, 0.2% (w/v) bovine gamma globulin (BGG)] to 10 nM protein concentration (concentration may vary from lot to lot of protein preparation). A substrate working solution was prepared by diluting the biotinylated Rad17 peptide to 0.51 &#956;M together with ATP to 201 &#956;M in assay buffer. A stop/detection working solution was prepared containing 50 mM Hepes pH 7.0, 0.15% (w/v) bovine serum albumin (BSA), 150 mM EDTA, 200 nM Streptavidin-XL665, 2.5 nM anti phospho Rad17-pS645 (IMG-6386A) and 1.5 nM anti-Rabbit-IgG-Eu. The amount of the antibodies is dependent on the batch used and was optimized by variation the activity of the batch. All solutions were kept at 20° C. First, 2.5 &#956;l of ATR-working solution were dispensed into the wells of the MTP containing the test compounds. After 10 minutes pre-incubation to allow binding of the compounds to ATR, 2.5 &#956;l of substrate working solution was dispensed to the wells. After 180 minutes, 5 &#956;l of stop/detection solution were dispensed into the wells. The resulting mixture was incubated for 60 min at 20° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instruments (e.g. BMG Pherastar or Perkin Elmer ViewLux) by recording the fluorescence emissions at 620 nm and 665 nm after excitation at 337-350 nm. The ratio between emission at 665 nm divided by emission at 620 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control was composed of ATR-working solution+substrate solution (=0% inhibition), the negative control contains the same reagents, but ATR-working solution is replaced by assay buffer (=100% inhibition). Usually the compounds were tested on the same MTP in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM) The dilution series were prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions in duplicate values for each concentration. IC50 values were calculated by a 4 parameter fit using with standard software (GraphPad prism or equivalent).
9253	1	Nav 1.7 or Nav 1.5 IWQ In Vitro Assay	HEK 293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrophysiology system in accordance with the manufacturer&#39;s specifications (Molecular Devices, LLC, Sunnyvale, Calif.). Sodium channel currents were measured in response to a train of depolarizations that induced successively greater inactivation.Cells were held at &#8722;110 mV for three seconds (Nav 1.7) or half a second (Nav 1.5) from a holding voltage of &#8722;15 mV, then put through a series of 26 pulses of 150 msec duration to &#8722;20 mV at a frequency of 5 Hz. Cells were then left unclamped for a period of 3 to 8 minutes while a single concentration of test compound was added. Cells were then reclamped and put through the same voltage protocol. Current at the end of the 26th pulse to &#8722;20 mV was subtracted from the peak current evoked by the 26th pulse to &#8722;20 mV to correct for leak current. Percent block was calculated for each concentration in duplicate, and IC50 curves were fitted to percent block as a function of concentration.
9253	2	Nav 1.7 In Vitro PX Assay	HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, Calif.). Compound effects were measured on a partially inactivated state of the sodium channel. Cells were clamped to a holding potential yielding 20 to 50% inactivation. To elicit sodium current, channels were activated by pulsing to &#8722;10 mV for 20 msec. This voltage protocol was repeated at a rate of 0.1 Hz throughout the experiment. A single concentration of test compound was applied to cells for a duration of 3 minutes. Peak sodium current was measured at the end of the compound addition period to determine percent inhibition. Three to five cells were tested per concentration, and IC50 curves were fitted to percent inhibition as a function of concentration.
9254	1	ATP Assay	HT1080 cells (as well as other cell types) were plated to confluency in 96-well plates. Cells were exposed to the combination of 10 &#956;M Oligomycin (to block mitochondrial-derived ATP), and the glucose uptake inhibitor compounds for one-hour, after which glycolytically-dervied ATP was measured with the Cell Titer-Glo assay kit (Promega). Dose-response curves of the glucose uptake inhibitor compounds were used to determine the IC50 for GLUT activity.
9254	2	Lactate Excretion Assays	Parasite cultures were seeded in 96-well plates (1% hematocrit, 1-2% starting parasitemia, 100 &#956;L total volume) with varying concentrations of the test compounds in a final concentration of 0.1% DMSO. Plates were cultured for 48 hours before harvesting the culture medium for LC-MS analysis. At harvest, thin smears were taken and examined microscopically to observe any alterations in parasite morphology.
9255	1	High-Throughput Screening Assay	Day 1Step 1. Add 50 &#956;l anti-mDial (1:160 dilution in 0.1M NaHCO3 pH 9.6)/well. Incubate overnight at 4° C.Day 2Step 2. Use the plate washer to aspirate anti-mDial and wash plates 4× with PBS 100 &#956;l per well per wash.Step 3. Add 180 &#956;l 3% BSA in 1×PBS. Incubate for 1.5 hrs at room temperatureStep 4. Use the plate washer to aspirate the blocking solution and wash 5× with PBS 300 &#956;l per well.Step 5. Add 50 &#956;l of mDial containing lysate (85 &#956;g) and incubate at RT for 3 hours.Step 6. Aspirate the lysate and wash the plate 5× (100 &#956;l) on the plate washer.Step 7. Add 25 &#956;l PBS to the wells.Step 8. Add 0.5 &#956;L compound per well.Step 9. Add 24.5 &#956;L GFP RAGE tail (125 nM) into each well for 2 hrs at room temperature.Step 10. Aspirate and wash 5× with PBS (100 &#956;L) on the plate washer.Step 11. Add 100 ul PBS in each well.Step 12. Detection: Read on fluorescence plate reader excitation 435 nm and 485 nm emissionCompounds that blocked the binding of RAGE tail to mDial by 50% or more were subjected to 4 point dose response: 10 &#956;M, 1 &#956;M, 0.1 &#956;M and 0.01 &#956;M.Compounds that showed dose dependence were then subjected to secondary screen:Kd DeterminationsA number of representative amino and amido compounds of this invention were or can be tested for their inhibitory activity. The amino and amido compounds of the invention along with their available Kd values, as determined using conventional methods to those skilled in the art, are listed below in Table 1.
9256	1	Dopamine D1 Receptor Agonism	Dopamine D1 receptor agonism was measured using a HTRF cAMP from CisBio using the protocol developed by HD Biosciences (China). Briefly, the assay is a homogeneous time resolved-fluorescence resonance energy transfer (HTRF) assay that measures production of cAMP by cells in a competitive immunoassay between native cAMP produced by cells and cAMP-labeled with XL-665. A cryptate-labeled anti-cAMP antibody visualizes the tracer. The assay was performed in accordance with instructions from manufacturer.Test compounds were added to wells of microplates (384 format). HEK-293 cells expressing the human D1 receptor were plated at 1000 cells/well and incubated 30 min at room temperature. cAMP-d2 tracer was added to wells and followed by addition of Anti-cAMP antibody-cryptate preparation and incubated for 1 h at room temperature in dark. HTRF cAMP was measured by excitation of the donor with 337 nm laser (the TRF light unit ) and subsequent (delay time 100 microseconds) measurement of cryptate and d2 emission at 615 nm and 665 nm over a time window of 200 microseconds with a 2000 microseconds time window between repeats/100 flashes). HRTF measurements were performed on an Envision microplate reader (PerkinElmer). The HTRF signal was calculated as the emission-ratio at 665 nm over 615 nm. The HTRF ratio readout for test compounds was normalized to 0% and 100% stimulation using control wells with DMSO-solvent or 30 uM dopamine. Test compound potency (EC50) was estimated by nonlinear regression using the sigmoidal dose-response (variable slope) using Xlfit 4 (IDBS, Guildford, Surrey, UK, model 205).y=(A+((B&#8722;A)/(1+((C/x){circumflex over (&#8195;)}D))))where y is the normalized HTRF ratio measurement for a given concentration of test compound, x is the concentration of test compound, A is the estimated efficacy at infinite compound dilution, and B is the maximal efficacy. C is the EC50 value and D is the Hill slope coefficient. EC50 estimates were obtained from an independent experiment and the logarithmic average was calculated. 
9256	2	Dopamine D2 Receptor Agonism	Dopamine D2 receptor agonism was measured using a calcium mobilization assay protocol developed by HD Biosciences (China). Briefly, HEK293/G15 cells expressing human D2 receptor were plated at a density of 15000 cells/well in clear-bottomed, Matrigel-coated 384-well plates and grown for 24 hrs at 37° C. in the presence of 5% CO2. The cells were incubated with calcium-sensitive fluorescent dye, Fluo8, for 60-90 minutes at 37° C. in the dark. Test compounds were prepared at 3-fold concentrated solution in 1×HBSS buffer with Ca2+ and Mg2+. Calcium Flux signal was immediately recorded after compounds were added from compound plate to cell plate at FLIPR (Molecular Devices). The fluorescence data were normalized to yield responses for no stimulation (buffer) and full stimulation (1 &#956;M of dopamine) of 0% and 100% stimulation, respectively. Test compound potency (EC50) was estimated by nonlinear regression using the sigmoidal dose-response (variable slope) using Xlfit 4 (IDBS, Guildford, Surrey, UK, model 205).y=(A+((B&#8722;A)/(1+((C/x){circumflex over (&#8195;)}D))))where y is the normalized ratio measurement for a given concentration of test compound, x is the concentration of test compound, A is the estimated efficacy at infinite compound dilution, and B is the maximal efficacy. C is the EC50 value and D is the Hill slope coefficient.EC50 estimates were obtained from independent experiment and the logarithmic average was calculated.
9256	3	5-HT2B Agonist Activity Assay	Evaluation of the agonist activity of compounds (I), (Ia) and (Ib) at the human 5-HT2B receptor was performed by Eurofins/Cerep (France) measuring the compound effects on inositol monophosphate (IP1) production using the HTRF detection method. Briefly, the human 5-HT2B receptor was expressed in transfected CHO cells. The cells were suspended in a buffer containing 10 mM Hepes/NaOH (pH 7.4), 4.2 mM KCl, 146 mM NaCl, 1 mM CaCl2, 0.5 mM MgCl2, 5.5 mM glucose and 50 mM LiCl, then distributed in microplates at a density of 4100 cells/well and incubated for 30 min at 37° C. in the presence of buffer (basal control), test compound or reference agonist. For stimulated control measurement, separate assay wells contained 1 &#956;M 5-HT. Following incubation, the cells were lysed and the fluorescence acceptor (fluorophen D2-labeled IP1) and fluorescence donor (anti-IP1 antibody labeled with europium cryptate) were added. After 60 min at room temperature, the fluorescence transfer was measured at lambda(Ex) 337 nm and lambda(Em) 620 and 665 nm using a microplate reader (Rubystar, BMG). The IP1 concentration was determined by dividing the signal measured at 665 nm by that measured at 620 nm (ratio). The results were expressed as a percent of the control response to 1 &#956;M 5-HT. The standard reference agonist was 5-HT, which was tested in each experiment at several concentrations to generate a concentration-response curve from which its EC50 value is calculated as described above for dopamine functional assays.
9257	1	Inhibition of Lysine Gingipain	The capacities of compounds of the present invention to inhibit the activity of lysine gingipain were measured in a fluorogenic assay similar to those described by Barret (Biochemical Journal. 1980, 187(3), 909). The specific assay conditions were as follows. Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2), 10 mM cysteine, 1% DMSO after all additions. Protein: 0.1 nM Kgp, isolated from culture of Porphyromonas gingivalis, as described by Pike et al. (J. Biol. Chem. 1994, 269(1), 406), and Potempa and Nguyen (Current Protocols in Protein Science. 2007, 21.20.1-21.20.27). Fluorogenic substrate: 10 &#956;M Z-His-Glu-Lys-MCA. Time=90 minutes. Temperature=37° C. Each compound: 10 concentrations, starting at either 100 &#956;M or 100 nM, with lower concentrations generated by serial 3-fold dilutions. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 50% (the IC50 ) was determined. Under the described assay conditions, the signal-to-noise ratio was excellent, and the Z factor was greater than 0.6. Compounds in Table 1 were tested, as well as the compounds set forth in Table 2 below.The capacities of compounds of the present invention to inhibit the activity of cathepsins B, H, K, L, and S were measured in similar assays. Boc-Leu-Arg-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin B assay. L-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin H assay. Z-Phe-Arg-AMC (10 &#956;M) in HEPES buffer (50 mM, pH 7.4) containing DTT (2.5 mM) and EDTA (1 mM) was used for the Cathepsin K assay. Z-Phe-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin L assay. Z-Leu-Arg-AMC (10 &#956;M) in sodium acetate buffer (25 mM, pH 4.5) containing DTT (2.5 mM) and NaCl (50 mM) was used for the Cathepsin S assay.
9258	1	Measurement of the Inhibitory Action of the Compound of the Present Invention on Binding of [33P]-S1P to S1P5 (EDG-8)	Compound of the Present Invention on Binding of [33P]-S1P to S1P5 (EDG-8)A reaction was carried out in a 96-well microplate by using membrane fractions of Chinese hamster ovary (CHO) cells each of which was made to overexpress human S1P1 (EDG-1) or human S1P5 gene respectively, in an amount of the membrane fraction of 1 mg protein/mL. To each of the wells, 100 &#956;L of a vehicle (DMSO) solution or a two-fold concentration-ligand solution each of which was diluted with Binding Buffer (50 mmol/L, Tris pH 7.5, 5 mmol/L, MgCl2, 0.5% BSA and Complete EDTA free (1 tablet/50 mL)), and 50 &#956;L of 0.16 nmol/L [33P]-S1P (manufactured by American Radiolabeled Chemicals, Inc.) diluted with Binding Buffer were added. Thereafter, the membrane fraction solutions (50 &#956;L) was added to the wells and the reaction was carried out at room temperature for 60 minutes. After the reaction, suction filtration was carried out by using a 96-well UNIFILTER, and the 96-well microplate was washed with Wash Buffer (50 mmol/L, Tris pH 7.5, 0.5% BSA) (150 mL), and thereafter, was dried at 60° C. for 45 minutes. MicroScint (trade name) 20 (50 &#956;L/well) was added and the plate was covered with TopSeal-A, and thereafter, the radioactivity was measured by using TopCount (manufactured by PerkinElmer Inc.).
9258	2	Evaluation of S1P5 Receptor Agonist Activities	CHO cells which were made to overexpress human S1P5 (EDG-8) gene were cultured in Ham&#39;s F12 Medium (manufactured by Gibco-BRL) containing 10% FBS (fetal bovine serum), penicillin/streptomycin and geneticin (0.25 mg/mL). The medium was removed from the cultured cells, the cultured cells were washed once with phosphate-buffered saline, and the cultured cells were treated with a vehicle (DMSO) solution or a compound solution each of which was diluted with Buffer (Hanks&#39; balanced salt solution containing 20 mmol/L HEPES, 0.1 or 0.2% BSA, 1 mmol/L IBMX and 5 &#956;mol/L forskolin) at 37° C. for 30 minutes. Thereafter, the cultured cells were washed once with phosphate-buffered saline, lysis of the cells, and the concentration of cyclic AMP in the cell lysate were measured by using cAMP Assay Kit (Cisbio Bioassays).
9259	1	Full Length HTRA1 Assay	Serial dilutions (1/3) from 1000 &#956;M down to 0.051 &#956;M of test compounds were prepared in dimethyl sulfoxide (DMSO). Then 2 &#956;L of solution from each dilution were added to 100 &#956;L of 4 nM full-length human His-HTRA1 in assay buffer (50 mM Tris, pH 7.5, 200 mM NaCl and 0.25% 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate or CHAPS) in white non-binding 96-well plates. The assay solutions were mixed for 5 seconds on a shaker plate and incubated for 10 minutes at room temperature. Mca-H2OPT (Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys-OH trifluoroacetate salt) (Mca=7-methoxycoumarin-4-acetic acid; Dnp=dinitrophenyl) (5 &#956;M) in 100 &#956;L of assay buffer was added to the assay solutions. The reaction mixture was shaken for 5 seconds on a shaker plate and cleavage of Mca-H2OPT was monitored by spectrofluorometry (SpectraMax M3 by Molecular Devices, CA) for 10 minutes (Ex&#955;=330 nm; Em&#955;=420 nm). Percent inhibition was calculated by fitting values to a standard mathematical model for determining the dose response curve.
9260	1	ethoxyresorufin-O-deethylase (EROD) assay	This assay measures the induction of cytochrome P450-1A1 (CYP1A1), which is a major outcome of AhR activation. Whyte, J. J.; Jung, R. E.; Schmitt, C. J.; Tillitt, D. E. Crit. Rev. Toxicol. 2000, 30, 347. CYP1A1 selectively converts 7-ethoxyresorufin to the fluorescent product resorufin.Malassezin served as the positive control.
9261	1	STING Biochemical [3H]cGAMP Competition Assay	The individual compounds described in the Examples herein are defined as STING agonists by (i) binding to the STING protein as evidenced by a reduction in binding of tritiated cGAMP ligand to the STING protein by at least 20% at 20 uM (concentration of compound being tested) in a STING Biochemical 13H1-cGAMP Competition Assay and (ii) demonstrating interferon production with a 6% or greater induction of IFN-&#946; secretion at 30 uM in the THP1 cell assay (where induction caused by cGAMP at 30 uM was set at 100%).The ability of compounds to bind STING is quantified by the ability to compete with tritiated cGAMP ligand for human STING receptor membrane using a radioactive filter-binding assay. The binding assay employs STING receptor obtained from Hi-Five cell membranes overexpressing full-length HAQ STING prepared in-house and tritiated cGAMP ligand also purified in-house.
9262	1	TBD	TBD
9263	1	 [35S]-GTPgammaS binding assay for determining antagonist	Materials: GTP&#947;S, [35S] (PerkinElmer, Cat # NEG030H001MC), DMSO (Amresco, Cat #0231), MicroScint&#153;-20 (PerkinElmer, Cat #6013621), CelLytic&#153; M Cell Lysis Reagent (Sigma, Cat # C2978-250ML), (R)(&#8722;)-&#945;-Methylhistamine (Sigma, Cat # H1128), GDP (Sigma, Cat # G7127), GF/C plate (PE, CAT #6005174).Experimental procedure: 1) Membrane preparation for HEK293/Ga15/hH3R; 2) Standard binding assay. Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;S binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For inverse agonist mode: Add 20 &#956;L testing compound (10 points, 3-fold dilution from 1 &#956;M), 20 &#956;L buffer, 140 &#956;L membrane solution (GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate, and preincubate at room temperature for 30 min. Add 20 &#956;L [35S]-GTP&#947;S (final 200 &#956;M) and incubate at room temperature for 60 min. For antagonist mode: Add 20 &#956;L agonist (R-alpha-methylhistamine, final concentration 1 &#956;M), 20 &#956;L testing compound (final top concentration 1 &#956;M, 3-fold dilution, 10 points), 20 &#956;L [35S]-GTP&#947;S (final 200 &#956;M), 140 &#956;L membrane solution (total 200 &#956;L, GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate. Incubate at room temperature for 60 min. Filter the assay plate on GF/C (non-PEI coated) plate to stop the assay. Dry GF/C plate for 1 h. Add 50 &#956;L scintillation fluid and count on the MicroBeta.Data Analysis: The CPM values were calculated into % of inhibition with the following formula:For inverse agonist mode: % of inhibition=(DMSO control CPM&#8722;Compound CPM)/(DMSO control CPM&#8722;GTP control CPM)×100.IC50s were calculated using Prism5 with log(inhibitor) vs. response equation.
9263	2	[35S]-GTPgammaS binding assay for determining inverse agonist 	Materials: GTP&#947;S, [35S] (PerkinElmer, Cat # NEG030H001MC), DMSO (Amresco, Cat #0231), MicroScint&#153;-20 (PerkinElmer, Cat #6013621), CelLytic&#153; M Cell Lysis Reagent (Sigma, Cat # C2978-250ML), (R)(&#8722;)-&#945;-Methylhistamine (Sigma, Cat # H1128), GDP (Sigma, Cat # G7127), GF/C plate (PE, CAT #6005174).Experimental procedure: 1) Membrane preparation for HEK293/Ga15/hH3R; 2) Standard binding assay. Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;S binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For inverse agonist mode: Add 20 &#956;L testing compound (10 points, 3-fold dilution from 1 &#956;M), 20 &#956;L buffer, 140 &#956;L membrane solution (GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate, and preincubate at room temperature for 30 min. Add 20 &#956;L [35S]-GTP&#947;S (final 200 &#956;M) and incubate at room temperature for 60 min. For antagonist mode: Add 20 &#956;L agonist (R-alpha-methylhistamine, final concentration 1 &#956;M), 20 &#956;L testing compound (final top concentration 1 &#956;M, 3-fold dilution, 10 points), 20 &#956;L [35S]-GTP&#947;S (final 200 &#956;M), 140 &#956;L membrane solution (total 200 &#956;L, GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate. Incubate at room temperature for 60 min. Filter the assay plate on GF/C (non-PEI coated) plate to stop the assay. Dry GF/C plate for 1 h. Add 50 &#956;L scintillation fluid and count on the MicroBeta.Data Analysis: The CPM values were calculated into % of inhibition with the following formula:For antagonist mode: % of inhibition=(R-alpha-methyl-histamine control CPM&#8722;Compound CPM)/(R-alpha-methyl-histamine control CPM&#8722;DMSO control CPM)×100. IC50s were calculated using Prism5 with log(inhibitor) vs. response equation.
9264	1	Detection of the Antagonism of the Human Prostaglandin D Receptor Signal	5. 1 Detection PrincipleBinding of prostaglandin D2 to the human PGD receptor induces activation of membrane-bound adenylate cyclases and leads to the formation of cAMP. In the presence of the phosphodiesterase inhibitor IBMX, the cAMP which has accumulated as a result of this stimulation and is released by cell lysis is employed in a competitive detection method. In this test, the cAMP present in the lysate competes with a fluorescently labelled cAMP (cAMP-d2) for binding to an anti-cAMP antibody labelled with an Eu cryptate.The absence of cellular cAMP leads to a maximum signal owing to this cAMP-d2 molecule binding to the antibody. Excitation of the cAMP-d2 molecule at 337 nm leads to a fluorescence resonance energy transfer (FRET) to the Eu cryptate molecules of the anti-cAMP antibody (labelled therewith), followed by a long-lasting emission signal at 665 nm (and also at 620 nM). The two signals are measured in a suitable measuring device in a time-resolved manner, i.e. once the background fluorescence has subsided. Any increase of the low FRET signal owing to prostglandin E2 administration (measured as change in the well ratio=emission665nm/emission620nm*10 000) indicates the action of antagonists.5.2. Detection Method5.2.1. Test for Antagonism (Figures Per Well of a 384-Well Plate):4 &#956;l of a cAMP-d2/cell suspension (625 000 cells/ml) were added to a test plate with the substance solutions (0.05 &#956;l; 100% DMSO, concentration range 0.8 nM-16.5 &#956;M) already charged. After 20 minutes of pre-incubation at room temperature (RT), 2 &#956;l of a 3×PGD2 solution (6 nM, in PBS-IBMX) were added and the mixture was incubated in the presence of the agonist for a further 30 min at RT (volume: 6 &#956;l). The reaction was then stopped by addition of 2 &#956;l of lysis buffer and the mixture was incubated at RT for a further 20 min prior to the actual measurement (volume: 8 &#956;l).
9265	1	transient human FXR/Gal4-luciferase reporter assay	A Gal4-hFXR fusion construct reporter system was used as the primary assay to characterize compound activity. A construct including 5 copies of the Gal4 promoter response element upstream of a firefly luciferase reporter cDNA was stably expressed in HEK293 cells. This reporter cell line was maintained in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM; Gibco) supplemented with 1% penicillin-streptomycin (P/S) solution, 500 &#956;g/ml Zeocin and 10% charcoal/dextran-treated fetal bovine serum (cs-FBS) at 37° C. in a humidified 5% CO2 atmosphere. Another plasmid was constructed in which the human cytomegalovirus promoter in the pcDNA3.1 vector directs the expression of the cDNA encoding a fusion protein comprised of the DNA binding domain from the Gal4 transcription factor fused to the ligand binding domain from human FXR.The day prior to transfection, the reporter cells in culture are detached from the plate with trypsin and plated into a T75 flask at a sufficient density to achieve approximately 90% confluence the next morning. The transfection reagents are prepared by separately diluting 25 &#956;g of the pcDNA3.1-Gal4-FXR plasmid into 1.87 mL of Opti-MEM (Thermo-Fisher), and 40 &#956;L of Lipofectamine 2000 (Thermo-Fisher) into 1.87 mL of Opti-MEM, and then adding the diluted DNA solution into the diluted Lipofectamine 2000 solution and incubating at room temperature for 15-20 minutes. The mixture is further diluted with 10 mL of a solution comprised of DMEM, 10% cs-FBS, and 1% P/S immediately prior to transferring to the cells. The maintenance culture media is aspirated from the cells and the final transfection mixture is added before the cells are incubated overnight at 37° C. in a humidified 5% CO2 atmosphere. This protocol can be scaled up, and the transiently transfected cells can be cryopreserved in an assay-ready format.For compound testing, 100 nL of the compounds (serial dilutions in DMSO) are dispensed with an Echo acoustic dispenser (Labcyte) into the wells of a Corning/Costar clear bottom 384-well white plate. The transfected cells are harvested, counted, and diluted such that 10-25,000 cells in 25 &#956;L are plated into each well of the 384-well compound assay plate. The compound-treated cells are incubated overnight at 37° C. in a humidified 5% CO2 atmosphere. The next morning 25 &#956;L of Steady-Glo (Promega) are added to each well of the plate, the mixture is incubated for 15 min. with shaking, and luminescence is measured on an Envision (Perkin Elmer) plate reader. Background counts from cells treated with DMSO alone are subtracted from all raw counts, and the corrected values are converted to a percentage of the control response attained with 8 &#956;M GW-4064. These data are fit to a 4-parameter log agonist-response equation to calculate an EC50 value.
9266	1	Inhibition Assay	Materials: PAD1, PAD2, PAD3 and PAD4 were purchased from commercial sources. Assay buffer: 50 mM Tris pH 7.5, 100 mM NaCl, 10 mM CaCl2, 5 mM DTT. Color reagent: 1 volume of reagent A (80 mM diacetyl monoxime, 2 mM thiosemicarbazide) and 3 volumes of reagent B (17.35% v/v H3PO4, 33.7% v/v H2SO4, and 0.765 mg/mL ammonium iron (III) sulfate). The assays were conducted at 37° C. in the presence of each inhibitor in the concentration range of 1 to 1000 &#956;M of each inhibitor tested. The inhibitor (12.5 &#956;L of stock) was mixed with appropriate amount of substrate (BAEE) stock solution and preincubated at 37° C. for a period in the range of 0-60 min. The reaction was initiated by the addition of the enzyme. The reaction samples were incubated for a period in the range of 0-60 min. Color reagent was added (in the range of 50-300 &#956;L/sample) and the samples were boiled for a period in the range of 0-45 min in a water bath. Samples were cooled on ice, vortexed and centrifuged. 200 &#956;L aliquots were transferred to the 96-well plate and the absorbance was measured at 530 nm and the remaining activity was computed.
9267	1	cAMP Assay	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm.
9268	1	Inhibition Assay	LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen and lysine residues in elastin to produce peptidyl alpha-aminoadipic-delta-semialdehydes. This catalytic reaction can be irreversibly inhibited by &#946;-aminopropionitrile (BAPN) that binds to the active site of LOX (Tang S. S., Trackman P. C. and Kagan H. M., Reaction of aortic lysyl oxidase with beta-aminoproprionitrile. J Biol Chem 1983; 258: 4331-4338). There are five LOX family members; these are LOX, LOXL1, LOXL2, LOXL3 and LOXL4. LOX and LOXL family members can be acquired as recombinant active proteins from commercial sources, or extracted from animal tissues like bovine aorta, tendons, pig skin; or prepared from cell cultures. The inhibitory effects of the compounds of the present invention were tested against the given LOX-LOXL preparation using a high-throughput coupled colorimetric method (Holt A. and Palcic M., A peroxidase-coupled continuous absorbance plate-reader assay for flavin monoamine oxidases, copper-containing amine oxidases and related enzymes. Nat. Protoc. 2006; 1: 2498-2505). The assay was developed using either 384 or 96 well format. Briefly, in a standard 384 well plate assay 25 &#956;L of a dilution of any of the isoenzymes and orthologues in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were added into each well in the presence of 1 &#956;M mofegiline and 0.5 mM pargyline (to inhibit SSAO and MAO-B and MAO-A, respectively). Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 11 data points, typically in the micromolar or nanomolar range after incubation with the enzyme for 30 min at 37° C. Twenty five L of a reaction mixture containing twice the KM concentration of putrescine (Sigma Aldrich, e.g. 20 mM for LOX, or 10 mM for LOXL2 and LOXL3), 120 &#956;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were then added to the corresponding wells. The above volumes were doubled in the case of 96 wells plate. 
9268	2	Inhibit Human Recombinant Assay	Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxidase, copper-containing amine oxidases and related enzymes (Holt A. and Palcic M., A peroxidase-coupled continuous absorbance plate-reader assay for flavin monoamine oxidases, copper-containing amine oxidases and related enzymes. Nat Protoc 2006; 1: 2498-2505). Briefly, a cloned cDNA template corresponding to residues 34-763 of human SSAO/VAP-1, and incorporating a mouse Ig kappa (&#954;) signal sequence, N-terminal flag epitope tag and tobacco etch virus (TEV) cleavage site, was assembled in a mammalian expression vector (pLO-CMV) by Geneart AG. This vector containing human SSAO/VAP-1 residues was transfected into CHO-K1 glycosylation mutant cell line, Lec 8. A clone stably expressing human SSAO/VAP-1 was isolated and cultured in large scale. Active human SSAO/VAP-1 was purified and recovered using immunoaffinity chromatography. This was used as the source for SSAO/VAP-1 activity. A high-throughput colorimetric assay was developed using either 96 or 384 well format. Briefly, in a standard 96 well plate assay 50 &#956;L of purified human SSAO/VAP-1 (0.25 &#956;g/mL) in 0.1 M sodium phosphate buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-11 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37° C. After 30 min incubation, 50 &#956;L of the reaction mixture containing 600 &#956;M benzylamine (Sigma Aldrich), 120 &#956;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M sodium phosphate buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37° C. excitation 565 nm and emission 590 (Optima; BMG labtech).
9268	3	Inhibit Human Recombinant Assay	MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. 
9269	1	Inhibition Assay	LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen and lysine residues in elastin to produce peptidyl alpha-aminoadipic-delta-semialdehydes. This catalytic reaction can be irreversibly inhibited by &#946;-aminopropionitrile (BAPN) that binds to the active site of LOX (Tang S. S., Trackman P. C. and Kagan H. M., Reaction of aortic lysyl oxidase with beta-aminopropionitrile. J Biol Chem 1983; 258: 4331-4338). There are five LOX family members; these are LOX, LOXL1, LOXL2, LOXL3 and LOXL4. LOX and LOXL family members can be acquired as recombinant active proteins from commercial sources, or extracted from animal tissues like bovine aorta, tendons, pig skin; or prepared from cell cultures. The inhibitory effects of the compounds of the present invention were tested against the given LOX-LOXL preparation using a high-throughput coupled colorimetric method (Holt A. and Palcic M., A peroxidase-coupled continuous absorbance plate-reader assay for flavin monoamine oxidases, copper-containing amine oxidases and related enzymes. Nat. Protoc. 2006; 1: 2498-2505). The assay was developed using either 384 or 96 well format. Briefly, in a standard 384 well plate assay 25 &#956;L of a dilution of any of the isoenzymes and orthologues in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were added into each well in the presence of 1 &#956;M mofegiline and 0.5 mM pargyline (to inhibit SSAO and MAO-B and MAO-A, respectively). Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 11 data points, typically in the micromolar or nanomolar range after incubation with the enzyme for 30 min at 37° C. Twenty five &#956;L of a reaction mixture containing twice the KM concentration of putrescine (Sigma Aldrich, e.g. 20 mM for LOX, or 10 mM for LOXL2 and LOXL3), 120 &#956;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were then added to the corresponding wells. The above volumes were doubled in the case of 96 wells plate. 
9269	2	Inhibit Human Recombinant Assay	SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxidase, copper-containing amine oxidases and related enzymes (Holt A. and Palcic M., A peroxidase-coupled continuous absorbance plate-reader assay for flavin monoamine oxidases, copper-containing amine oxidases and related enzymes. Nat Protoc 2006; 1: 2498-2505). Briefly, a cloned cDNA template corresponding to residues 34-763 of human SSAO/VAP-1, and incorporating a mouse Ig kappa (&#954;) signal sequence, N-terminal flag epitope tag and tobacco etch virus (TEV) cleavage site, was assembled in a mammalian expression vector (pLO-CMV) by Geneart AG. This vector containing human SSAO/VAP-1 residues was transfected into CHO-K1 glycosylation mutant cell line, Lec 8. A clone stably expressing human SSAO/VAP-1 was isolated and cultured in large scale. Active human SSAO/VAP-1 was purified and recovered using immunoaffinity chromatography. This was used as the source for SSAO/VAP-1 activity. A high-throughput colorimetric assay was developed using either 96 or 384 well format. Briefly, in a standard 96 well plate assay 50 &#956;L of purified human SSAO/VAP-1 (0.25 &#956;g/mL) in 0.1 M sodium phosphate buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-11 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37° C. 
9269	3	Inhibit Human Recombinant Assay	MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities.
9270	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
9271	1	Enzyme Activity Assay	Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
9272	1	AlphaScreen Assay	15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (Perkin Elmer). A mix consisting of 20 nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HIS Multilabel Reader using the AlphaScreen protocol from Perkin Elmer.
9273	1	Kinase Assay (ATP Concentration at Km)	Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence of a phosphorylated and unphosphorylated fluorescent peptide substrate and calculates a ratiometric value to determine percent turnover. Phosphorylation of the peptide in the presence and absence of the compound of interest was determined. Enzyme/substrate/adenosine triphosphate (ATP) mix (3 nM CDK9/CycT1, 6 &#956;M ATP, 1.5 &#956;M CDK9 peptide substrate (FITC-X-GSRTPMY-NH2 (X: epsilon aminocaproic acid)), 50 mM HEPES (pH7.2), 1 mM dithiothreitol, 0.01% tween 20, 50 &#956;g/mL bovine serum albumin, (final assay concentration)) (5 &#956;l) was preincubated with 2 &#956;l of compound for 15 minutes at 25° C. Reactions were initiated with 5 &#956;l of 24 mM MgCl2 (10 mM final assay concentration) in buffer (50 mM HEPES (pH7.2), 1 mM dithiothreitol, 0.01% tween 20, 50 &#956;g/mL bovine serum albumin, (final assay concentration) and incubated at 25° C. for 90 minutes and reactions were stopped by addition of 5 &#956;l of Stop mix consisting of 65 mM HEPES (pH7.2), 35.5 mM EDTA, 0.227% Coatin Reagent 3 (Caliper/PerkinElmer), and 0.003% Tween. Phosphorylated and unphosphorylated substrate was detected by a Caliper LC3000 reader (Caliper/PerkinElmer) in the presence of separation buffer consisting of 100 mM HEPES (pH7.2), 15.8 mM EDTA, 0.1% Coatin Reagent 3 (Caliper/PerkinElmer), 0.015% Brij-35, 5% DMSO, and 5.6 mM MgCl2. 
9273	2	Kinase Assay (High ATP Concentration)	Activity of CDK9 was determined in-vitro using a mobility shift assay on a Caliper LC3000 reader (Caliper/PerkinElmer), which measures fluorescence of a phosphorylated and unphosphorylated fluorescent peptide substrate and calculates a ratiometric value to determine percent turnover. Phosphorylation of the peptide in the presence and absence of the compound of interest was determined. Enzyme/substrate/adenosine triphosphate (ATP) mix (1.5 nM CDK9/CycT1, 5 mM ATP, 1.5 &#956;M CDK9 peptide substrate (FITC-X-GSRTPMY-NH2 (X: epsilon aminocaproic acid)), 50 mM HEPES (pH7.2), 1 mM dithiothreitol, 0.01% tween 20, 50 &#956;g/mL bovine serum albumin, (final assay concentration)) (5 &#956;l) was preincubated with 2 &#956;l of compound for 15 minutes at 25° C. Reactions were initiated with 5 &#956;l of 24 mM MgCl2 (10 mM final assay concentration) in buffer (50 mM HEPES (pH7.2), 1 mM dithiothreitol, 0.01% tween 20, 50 &#956;g/mL bovine serum albumin, (final assay concentration) and incubated at 25° C. for 90 minutes and reactions were stopped by addition of 5 &#956;l of Stop mix consisting of 65 mM HEPES (pH7.2), 35.5 mM EDTA, 0.227% Coatin Reagent 3 (Caliper/PerkinElmer), and 0.003% Tween. Phosphorylated and unphosphorylated substrate was detected by a Caliper LC3000 reader (Caliper/PerkinElmer) in the presence of separation buffer consisting of 100 mM HEPES (pH7.2), 15.8 mM EDTA, 0.1% Coatin Reagent 3 (Caliper/PerkinElmer), 0.015% Brij-35, 5% DMSO, and 5.6 mM MgCl2. 
9274	1	In Vitro Assay	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
9275	1	Acetyl-Histone Binding Assay	Assays were performed with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM NaCl, 0.1% w/v BSA, and 0.01% w/v Tween&#9633; 20 at pH 7.5 and allowed to equilibrate to room temperature prior to addition to plates. After addition of Alpha beads to master solutions, all subsequent steps were performed in low light conditions. A 2× solution of components with final concentrations of BRD4.1 at 80 nM, Ni-coated Acceptor Bead at 25 jag/ml, and 80 nM biotinylated H4-tetra acetyl was added in 10 &#956;L to 384-well plates (AlphaPlate-384, PerkinElmer, USA). Biotinylated peptide for BRD4.1 was synthesized in-house on a CEM Liberty 9008005 microwave peptide synthesizer: H4-tetra acetyl, biotin-PEG2-SGRGKacGGKacGLGKacGGAKacRHRK COOH. Addition to wells was performed with either a multichannel pipet (for optimization experiments) or a Biotek EL406 liquid handler. After a 1000-rpm spin-down for 1 minute, 100 nL of the solutions of the compounds of the invention from stock plates were added by pin transfer using a Janus Workstation (PerkinElmer, USA). The streptavidin-coated donor beads (25 &#956;g/ml final) were added as with previous solution in a 2×, 10 &#956;L volume. Following this addition, the plates were sealed with foil to block light exposure and to prevent evaporation. The plates were spun down again at 1000 rpm for 1 minute. Next, the plates were incubated in the room with the plate reader (for temperature equilibration) for 1.5 hour prior to reading the assay. AlphaScreen&#9633; measurements were performed on an Envision 2104 (PerkinElmer, USA) utilizing the manufacturer&#39;s protocol.
9275	2	Isothermal Titration Calorimetery	ITC was performed using a ITC200 microcalorimeter from GE (Northampton, Mass.). All experiments were carried out at 25° C. while stirring at 1000 rpm, in ITC buffer (50 mM HEPES pH 7.4 at 25° C., 150 mM NaCl). The microsyringe was loaded with a solution of the protein sample (225 &#956;M, in ITC buffer). The compound solution (22.5 &#956;M, in ITC buffer) was titrated into the protein solution via syringe. All titrations were conducted using an initial injection of 0.2 &#956;l, followed by 19 identical injections of 2 &#956;l with a duration of 5 sec (per injection) and a spacing of 90 sec between injections. The heat of dilution was determined by independent titrations (protein into buffer) and was subtracted from the experimental data. The collected data were implicated in the MicroCal Origin software supplied with the instrument to yield enthalpies of binding (&#916;H) and binding constants (Ka). The collected data were implicated in the MicroCal Origin software supplied with the instrument to yield enthalpies of binding (&#916;H) and binding constants (KB) as previously described by Wiseman and coworkers. Thermodynamic parameters were calculated (&#916;G=&#916;H&#8722;T&#916;S=&#8722;RT ln KB, where &#916;G, &#916;H and &#916;S are the changes in free energy, enthalpy and entropy of binding respectively). A single binding site model was employed.
9276	1	Calcein Quenching Fluostar Assay	A calcein quenching fluostar assay was performed in order to investigate the biological activity of the newly synthesized examples 1 to 57. This type of assay is disclosed in J. Biol. Chem., 2011, 286, 44319-44325 and Am. J. Physiol. Renal Physiol. (2010), 298, F224-230.The buffers used in the assay were prepared with the following compounds and quantities.500 ml of 4× buffer:3.2 mM MgSO4.7H2O (0.395 g)20 mM KCl (0.746 g)7.2 mM CaCl.2H2O (0.530 g)100 mM NaHepes (13.02 g)pH 7.4 w. HClTetracyclin Stock: Wash buffer (&#956;l) Sucrose buffer (&#956;l) 4x buffer 80000 35000 NaCl (1M) 34080 14910 H2O 199520 18970 Probenecid 6400 2800 Sucrose (1M) 0 68320 Total 320000 140000The total probenecid required to prepare the wash buffer and sucrose buffer is 6400+2800=9200 &#956;l. An additional 500 &#956;l of probenecid (5 plates at 100 &#956;l each) is also required. Therefore, the total probenecid required is 9200 &#956;l+500 &#956;l=9700 &#956;l. Sufficient probenecid is prepared using:690 mg probenecid;4850 &#956;l NaOH 1M;1213 &#956;l 4× buffer; and3638 &#956;l H2O.Assay Experimental Protocol:1) Two days prior to commencement of the assay, seed 10,000 cells/well of 96 well black clear bottom plate (Greiner Poly-lysin plate). A 1:1 mix of Dulbecco&#39;s Modified Eagle&#39;s Medium: Nutrient Mixture F-12 (DMEM: F12) was obtained from Gibco. Tetracycline stock of 5 mg/ml in 96% ethanol is used. Medium: DMEM/F12/10% Donor Bovine Serum, Human AQP9 cell line+1:270,000 tetracyclin, mouse AQP9 cell line+1:2,700,000 tetracycline.2) Day of assay: Flick/slam off the medium and add 50 &#956;l/well of loading solution: 5 ml DMEM/F12/10% Donor Bovine Serum, 25 &#956;l Calcein AM from freshly dissolved aliquot in 50 &#956;l DMSO (VWR #734-1434), and 100 &#956;l Probenecid.3) Incubate the well for 90 minutes at 37° C.4) Perform one wash with 75 &#956;l wash buffer.5) Add 75 &#956;l of an example compound prepared in wash buffer per well.Example compounds are prepared in 500 &#956;l U bottom PP plates (NUNC). 2.7 &#956;l Substance in DMSO are added to row A; 180 &#956;l of wash buffer+1% DMSO are added to rows B H. 90 &#956;l from row A are transferred and mixed with all other wells (up to row G) to make a 3-fold dilution series.6) Assay in FLUOstar Optima at 25° C. Settings buffer addition at 135 &#956;l/seconds, add 75 &#956;l/well, record time course for 30 seconds, add sucrose buffer 3.6 seconds into recording.7) Normalization to initial in Excel.8) Fit to exponential decay function in GraphPad Prism 5.0, then arrange half live shrinking values according to wells and fit dose-response curves.
9277	1	FLIPR Assays	In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Accession No. NM_002977). The cell line was provided by investigators at Yale University (Cummins et al, J. Neurosci. 18(23): 9607-9619 (1998)). For dominant selection of the Nav1.7-expressing clones, the expression plasmid co-expressed the neomycin resistance gene. The cell line was constructed in the human embryonic kidney cell line, HEK293, under the influence of the CMV major late promoter, and stable clones were selected using limiting dilution cloning and antibiotic selection using the neomycin analogue, G418. Recombinant beta and gamma subunits were not introduced into this cell line. Additional cell lines expressing recombinant Nav1.7 cloned from other species can also be used, alone or in combination with various beta subunits, gamma subunits or chaperones.
9277	2	Electrophysiology Assay	The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Mediatech, Inc., Herndon, Va.) and incubated in a 5% CO2 incubator at 37° C. Cultured cells are used approximately 12-48 hours after plating.Cells Automated Electrophysiology:The hNav1.7 expressing HEK-293 cells are plated on tissue culture flasks in standard DMEM culture media (Mediatech, Inc.) and incubated in a 5% CO2 incubator at 37° C. Cultured cells are used approximately 12-48 hours after plating.
9278	1	FLIPR Assay in PAR4-Expressing HEK293 Cells	FLIPR-based calcium mobilization assay in HEK293 cells was used to measure PAR4 antagonism agonism, and selectivity against PAR1. The activity of the PAR4 antagonists of the present invention were tested in PAR4 expressing cells by monitoring H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2-induced intracellular calcium mobilization. Counter screens for agonist activity and PAR1 antagonist activity were also performed. Briefly, PAR/PAR4-expressing HEK293 cells were grown in DMEM (Life Technology, Grand Island, N.Y.) containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin, 10 &#956;g/mL blasticidin, and 100 &#956;g/mL Zeocin at 37° C. with 5% CO2. Cells were plated overnight prior to the experiment in a black 384-well Purecoat Amine clear bottom plate (Becton Dickinson Biosciences, San Jose, Calif.) at 10,000 cells/well in 30 &#956;L growth medium and incubated in a humidified chamber at 37° C. with 5% CO2 overnight. Prior to compound addition, the cell medium was replaced with 40 &#956;L of 1× calcium and magnesium-containing Hank&#39;s Balanced Saline Solution (HBSS) (with 20 mM HEPES) and 1:1000 diluted fluorescent calcium indicator (Codex Biosolutions, Gaithersburg, Md.). After a 30 minute incubation period at 37° C. and a further 30 minute incubation and equilibration period at room temperature, 20 &#956;L test compound (diluted in 1×HBSS buffer) was added at various concentrations at 0.17% dimethyl sulfoxide (DMSO) final concentration. Changes in fluorescence intensity were measured using a Functional Drug Screening System (FDSS, Hamamatsu, Japan) to determine agonist activities. The cells were then incubated for 30 minutes at room temperature followed by addition of 20 &#956;L of agonist peptide for antagonist activity measurement. The PAR4 agonist peptide (H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-V al-Lys-Asn-Gly-NH2) and the PAR1 agonist peptide (SFFLRR) were routinely tested to ensure a proper response at the EC50 value in the assay ( 5 &#956;M for PAR4 agonist peptide and 2 &#956;M for PAR1 agonist peptide). Compound potency was derived from 11-point concentration-response curves.
9279	1	Fluorescence Polarization Assay (1% DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes (1% DMSO).
9279	2	Fluorescence Polarization Assay (10% DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes (10% DMSO).
9279	3	Fluorescence Polarization Assay (0.25% DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes (0.25% DMSO).
9279	4	Surface Plasmon Resonance Assay	The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). His-tagged VHL protein was immobilized on a carboxymethylated dextran surface with nitriloacetic acid (NTA), taking advantage of NTA/Ni2+ chelation. The prepared surface was allowed to equilibrate over three hours in running buffer (Ambion 1×PBS buffer @ pH 7/4, 0.005% Tween, 2% DMSO).All compounds were prepared in 100% DMSO stock plates with a top concentration of 5 mM in a 3× serial dilution. Compounds were transferred from the stock plate to the assay plate and diluted into running buffer containing no DMSO. All compounds were run as a six-concentration series with a final assay top concentration of 100 uM. Data analysis was performed in Scrubber 2 (BioLogic software, Campbell, Australia). Blanks were subtracted and data was corrected for DMSO using a standard DMSO curve. All reported KD values represent an average of at least N=2 and were obtained by fitting to a minimum of five concentrations using a 1:1 fitting algorithm.
9280	1	Inhibitory Activity of Exemplary Compounds against Plasma Kallikrein	Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide substrate. In one assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 500 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 10 min at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader. In another assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 5 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 18 h at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader.
9281	1	In Vitro Assays for Determining the Inhibition of Janus Kinases	The in vitro inhibition of recombinant human JAKs was determined as follow.Compounds were tested in LANTHASCREEN time-resolved fluorescence energy transfer (TR-FRET) enzymatic assays from Invitrogen. The human Janus kinase 1 (JAK1) used in the assay is the recombinant JAK1 catalytic domain (amino acids 866-1154) expressed and purified from insect cells (Invitrogen, Cat. No. PV4774). The human Janus kinase 2 (JAK2) used in the assay is the recombinant JAK2 catalytic domain (amino acids 808-1132) expressed and purified from insect cells (Invitrogen, Cat. No. PV4210). The human Janus kinase 3 (JAK3) used in the assay is the recombinant JAK3 catalytic domain (amino acids 781-1124) expressed and purified from insect cells (Invitrogen, Cat. No. PV3855). The human tyrosine kinase 2 (TYK2) used in the assay is the recombinant TYK2 catalytic domain (amino acids 833-1187) expressed and purified from insect cells (Invitrogen, Cat. No. PV4790). The substrate is a recombinant STAT1 expressed as a fusion with GFP (Green Fluorescent Protein) to act as a physiological substrate (Invitrogen, Cat. No. PV5211).Test compounds were prepared and diluted in DMSO in 3-fold serial dilutions for 10 doses to 100× of the final testing concentrations. The compounds were then further diluted to 4× by the kinase reaction buffer (Invitrogen, Cat. No. PV3189). The enzymatic reaction for compound testing was performed in a white 384-well polypropylene plate (Packard, Cat. No. 6005214) with a total reaction volume of 10 &#956;L containing 440 ng/mL JAK1, 11 ng/mL JAK2, 400 ng/mL JAK3, or 200 ng/mL TYK2, 100 nM substrate, and 1 mM ATP. The assay started with loading 2.5 &#956;L of JAK1, JAK2, JAK3, or TYK2 diluted in the kinase reaction buffer to wells, followed by addition of an equal volume of 4× compounds for 15-min incubation at room temperature for pre-treatment. The enzymatic reaction was initiated by addition of 5 &#956;L of a mixture of the substrate and ATP prepared in the kinase reaction buffer. After one hour reaction, 10 &#956;L mixture of EDTA (final 10 mM) and terbium-labeled anti-pSTAT1 (pTyr701) antibody (final 2 nM) (Invitrogen, Cat. No. PV4844) prepared in TR-FRET antibody dilution buffer (Invitrogen, Cat. No. PV3574) was added to stop the enzymatic reaction and produce TR-FRET signals. After 30 minutes of incubation at room temperature, the plate was read in Tecan Infinite F200 Pro with the following settings: Excitation 340 nm (30)/Emission1 495 nm (10)/Emission2 520 nm (25). The TR-FRET values were dimensionless numbers that were calculated as the ratio of the acceptor (Green Fluorescent Protein) signal to the donor (Terbium) signal. Percent of inhibition was calculated as (100%&#8722;percentage of compound-treated/DMSO vehicle-treated). The dose-response curves were generated and the IC50s were calculated by nonlinear sigmoid curve fitting using GraphPad Prism.
9281	2	Cellular Assays for Determining the Inhibition of Janus Kinases	To assay JAK1 inhibition, 2 &#956;L of IL-6 diluted at 400 ng/mL (4×) in HBSS containing 0.1% BSA was added to the treated cells. The cells were then incubated for 30 min of cytokine treatment and lysed at the end by addition of 2 &#956;L of 5×AlphaLISA SureFire Ultra lysis buffer from Perkin Elmer. The plate was agitated on a plate shaker for 10 min at room temperature. The cellular JAK1 activity was determined by measuring STAT3 phosphorylation at Tyr705 in lysates using the AlphaLISA SureFire Ultra kit (Perkin Elmer, Cat. No. ALSU-PST3-A500). A volume of 5 &#956;L of acceptor mix and donor mix was added sequentially to lysates following the product protocol. The assay signals were recorded on EnVision plate reader (Perkin Elmer) with AlphaScreen optics setting.
9282	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
9283	1	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 25 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). The histidine tag was cleaved after purification using standard conditions.
9283	2	JAK1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 12.5 nM JAK1 in a total volume of 25 &#956;L. JAK1 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4775).
9283	3	JAK2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM JAK2 in a total volume of 25 &#956;L. JAK2 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4288).
9283	4	JAK3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 2 nM JAK3 in a total volume of 25 &#956;L. JAK3 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4080).
9284	1	Cellular gamma-Secretase Assay	Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 &#956;l in 96-well plates in IMDM media containing 10% FCS, 0.2 mg/l Hygromycin B and incubated at 37° C., 5% CO2.3-4 hr post plating, compounds are a diluted in media and 50 &#956;l is added as 1.5-fold concentrate to achieve the final concentration. Compound incubation is performed for 24 hr. Final doses typically range from 4 &#956;M down to 0.0013 &#956;M in half-log steps resulting in a eight point dose response curve. Appropriate controls using vehicle only and reference compound were applied to this assay. The final concentration of Me2SO was 0.4%.After incubation at 37° C., 5% CO2, the supernatant was subjected to quantification of secreted A&#946;42 by the means of an AlphaLisa assay kit (Human Amyloid beta 1-42 Kit: Cat # AL203C, Perkin Elmer). 20 &#956;l of the cell culture supernatant was transferred to an assay plate. Then 10 &#956;l of a mixture of the AlphaLisa coupled capture antibody and the biotinylated detection antibody was added and incubated for 3 hours at room temperature while softly shaking the assay plate. After a further addition of 20 &#956;l of the Donor beads the assay plate was incubated for 30 min at room temperature and constant shaking without exposure to direct light. The assay plate was then read on a Paradigm AlphaLisa Reader using the build-in program with excitation at 680 nm and emission at 570 nm.
9285	1	p70S6K (h) kinase assay	In a final reaction volume of 25 &#956;L, p70S6K (h) (5-10 mU) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KKRNRTLTV, 10 mM Mg acetate and [&#947;-33P-ATP](specific activity approx. 500 cpm/pmol, concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of 5 &#956;L of a 3% phosphoric acid solution. 10 &#956;L of the reaction mixture is then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.(b) Evaluation of Brain and Plasma Concentrations in an In Vivo Cassette Mouse ModelThe compounds of this invention were evaluated in an in vivo cassette mouse model to determine brain and plasma concentrations following oral dosing. This is an industry-standard and recognised means to assess brain penetration of small molecules (for recent literature article, refer to: in vitro permeability analysis, pharmacokinetic and brain distribution study in mice of imperatorin, isoimperatorin and cnidilin in Radix Angelicae Dahuricae, Fitoterapia, Volume 85, March 2013, Pages 144-153). It is also recognised that higher brain concentrations (and higher ratios of brain:plasma concentration) lead to greater exposure in the brain this is clearly advantageous if the brain is the site of action.Experimental Method:For a single cassette study, male CD-1 mice were used (n=3 per timepoint, three timepoints: 1.0 hr, 3.0 hr and 8.0 hr).5 compounds were dosed PO per cassette (dose level 2.5 mg/kg per compound, dose conc. 0.25 mg/ml, dose volume 10.0 ml/kg).Formulation used to solubilize compounds: 10% DMSO/90% hydroxypropyl-&#946;-cyclodextrin (20% w/v aqueous)Sampling was terminal and plasma and brain matrices were generated. To prepare plasma samples, protein was precipitated using acetonitrile. To prepare brain samples, homogenisation and protein precipitation was performed with acetonitrile. Samples were analysed using HPLC-TOF MS using electrospray ionisation.
9286	1	Biochemical Inhibition Assay	NAMPT Protein Purification. Recombinant His-tagged NAMPT was produced in E. coli cells, purified over a Ni column, and further purified over a size-exclusion column by XTAL Biostructures.The NAMPT Enzymatic Reaction. The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100× stock. Buffer A (89 &#956;L) containing 33 nM of NAMPT protein was added to 1 &#956;L of 100× compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mixture was incubated for 15 min at room temperature, then 10 &#956;L of 10× substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 &#956;M NAM, 100 &#956;M 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5&#8242;-triphosphate (ATP). The reaction was allowed to proceed for 30 min at room temperature, then was quenched with the addition of 11 &#956;L of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 &#956;M L-Cystathionine. Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.Quantification of NMN. A mass spectrometry-based assay was used to measure the NAMPT reaction product, &#946;-nicotinamide mononucleotide (NMN), and the internal control (L-Cystathionine). NMN and L-Cystathionine were detected using the services of Biocius Lifesciences with the RapidFire system. In short, the NMN and L-Cystathionine were bound to a graphitic carbon cartridge in 0.1% formic acid, eluted in 30% acetonitrile buffer, and injected into a Sciex 4000 mass spectrometer. The components of the sample were ionized with electrospray ionization and the positive ions were detected. The Q1 (parent ion) and Q3 (fragment ion) masses of NMN were 334.2 and 123.2, respectively. The Q1 and Q3 for L-Cystathionine were 223.1 and 134.1, respectively. The fragments are quantified and the analyzed by the following methodDetermination of IC50 Values. First, the NMN signal was normalized to the L-Cystathionine signal by dividing the NMN signal by the L-Cystathionine signal for each well. The signal from the background wells were averaged and subtracted from the test plates. The compound treated cells were then assayed for percent inhibition by using this formula:% Inh=100&#8722;100*x/ywherein x denotes the average signal of the compound treated wells and y denotes the average signal of the DMSO treated wells.IC50 values were then determined using the following formula:IC 50=10{circumflex over (&#8195;)}(LOG10(X)+(((50-%Inh at Cmpd Concentration 1)/(XX&#8722;YY)*(LOG10(X)&#8722;LOG10(Y))))wherein X denotes the compound concentration 1, Y denotes the compound concentration 2, XX denotes the % inhibition at compound concentration 1 (X), and YY denotes the % inhibition at compound concentration 2 (Y). 
9287	1	fluorescence anisotropy assay	The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47, (S rme et al., 2004) and Monovalent interactions of Galectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al., 2010). The assay was also adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity for galectin-3 which made it possible to use a low concentration of galectin-3 (10 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
9288	1	In Vitro Enzymatic Activity Assay	The activity of recombinant PHGDH was measured by monitoring the reduced nicotinamideadenine dinucleotide (NADH) to nicotinamideadenine dinucleotide (NAD+) change in fluorescence emission at 456 nm. PHGDH (final concentration of 30 ng/ L) was first pre-incubated with enzyme samples in the assay buffer (25 mM HEPES, pH 7.1, 400 mM KCl, 5 M phosphopyridoxa (PLP), 0.5 mM ±-ketoglutarate, 150 M NADH, PSAT1) for 10 min in 96-well plate, then 10 L of DMSO (control) or a small molecule of DMSO solution was added, shaken at 550 rpm for 5 minutes at 25 ° C. and balanced for 5 minutes. In the in vivo testing system of enzyme, each compound was dissolved in DMSO at a final concentration of 5% (v/v), which did not affect the assay signal. The reaction was started by adding L-phospho-O-serine (Pser) solution. The UV-visible microplate reader was used to monitor the change of NADH consumption at 456 nm with time. Protein activity was assessed by using an initial rate of reaction within 30 s, at which time NADH consumption was linear over time.
9289	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25 ° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). 
9290	1	Enzyme Assay	The inhibitory activity of panobinostat dissolved in DMSO and that of the HP-&#946;-CD panobinostat adduct (prepared as described in Example 1) were compared against HDAC types 1-11. Both were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 &#956;M against 11 HDACs. 
9291	1	Enzymatic Assay	HDAC-Glo I/II Assay Kit was purchased from Promega Corporation (Madison, Wis.), including the following components: HDAC-Glo I/II Buffer (25 mM Tris buffer, pH 8.0, supplemented with 137 mM: NaCl, 2.7 mM KCl, 1% v/v Triton X-100 and 1 mM: MgCl2), luminogenic substrates Boc-GAK(Ac)-aminoluciferin (HDAC-Glo I/II substrate), proprietary developer reagent (containing trypsin). Assay:The HDAC8 reaction was performed at room temperature in white 384-well polystyrene, flat-bottom microtiter plate (Greiner Bio-one, Monroe, N.C.) in a final volume of 20 &#956;L. Test compounds were first diluted serially in DMSO and 100 nL were transferred to the plate wells by Echo 550 (Labcyte, Sunnyvale, Calif.) before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The HDAC-Glo I/II assay reagent was prepared by rehydration of lyophilized HDAC-Glo I/II substrate in 10 mL. HDAC-Glo I/II assay buffer followed with the addition of 10 &#956;L of developer reagent. 10 uL of 3 nM HDAC8 in the HDAC-Glo I/II assay buffer were first dispensed into the microliter plate containing the compounds and incubated at room temperature for 30 min. The reactions were initiated with the addition of 10 uL HDAC-Glo I/II assay reagent with Multidrop. 
9292	1	Biological Assay	The recombinant cathepsin K can be expressed in a variety of commercially available expression systems including E coli, Pichia and Baculovirus systems. The purified enzyme is activated by removal of the prosequence by conventional methods.Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100 mMNa phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 &#956;M and detailed kinetic studies with doubling dilutions of substrate from 250 &#956;M. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader. Product progress curves were generated over 15 minutes following generation of AMC product.
9292	2	Biological Assay	The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate format, in which 7 test compounds can be tested in parallel with a positive control comprising a known cathepsin S inhibitor comparator.Substrate Dilutions280 &#956;l/well of 12.5% DMSO are added to rows B-H of two columns of a 96 deep well polypropylene plate. 70 &#956;l/well of substrate is added to row A. 2×250 &#956;l/well of assay buffer (100 mM Na phosphate, 100 mM NaCl, pH 6.5) is added to row A, mixed, and double diluted down the plate to row H.Inhibitor Dilutions100 &#956;l/well of assay buffer is added to columns 2-5 and 7-12 of 4 rows of a 96 well V bottom polypropylene plate. 200 &#956;l/well of assay buffer is added to columns 1 and 6.The first test compound prepared in DMSO is added to column 1 of the top row, typically at a volume to provide between 10 and 30 times the initially determined rough K. The rough Ki is calculated from a preliminary run in which 10 &#956;l/well of 1 mM boc-VLK-AMC (1/10 dilution of 10 mM stock in DMSO diluted into assay buffer) is dispensed to rows B to H and 20 &#956;l/well to row A of a 96 well Microfluor plate. 2 &#956;l of each 10 mM test compound is added to a separate well on row A, columns 1-10. Add 90 &#956;l assay buffer containing 1 mM DTT and 2 nM cathepsin S to each well of rows B-H and 180 &#956;l to row A. Mix row A using a multichannel pipette and double dilute to row G. Mix row H and read in the fluorescent spectrophotometer. The readings are Prism data fitted to the competitive inhibition equation, setting S=100 &#956;M and KM=100 &#956;M to obtain an estimate of the Ki, up to a maximum of 100 &#956;M.The second test compound is added to column 6 of the top row, the third to column 1 of the second row etc. Add 1 &#956;l of comparator to column 6 of the bottom row. Mix column 1 and double dilute to column 5. Mix column 6 and double dilute to column 10.Using an 8-channel multistepping pipette set to 5×10 &#956;l, distribute 10 &#956;l/well of substrate to the 384 well assay plate. Distribute the first column of the substrate dilution plate to all columns of the assay plate starting at row A. The tip spacing of the multichannel pipette will correctly skip alternate rows. Distribute the second column to all columns starting at row B.Using a 12-channel multistepping pipette set to 4×10 &#956;l, distribute 10 &#956;l/well of inhibitor to the 384 well assay plate. Distribute the first row of the inhibitor dilution plate to alternate rows of the assay plate starting at A1. The tip spacing of the multichannel pipette will correctly skip alternate columns. Similarly, distribute the second, third and fourth rows to alternate rows and columns starting at A2, B1 and B2 respectively.Mix 20 ml assay buffer and 20 &#956;l 1M DTT. Add sufficient cathepsin S to give 2 nM final concentration.Using the a distributor such as a Multidrop 384, add 30 &#956;l/well to all wells of the assay plate and read in fluorescent spectrophotomoter such as an Ascent.Fluorescent readings, (excitation and emission wavelengths 390 nm and 460 nm respectively, set using bandpass filters) reflecting the extent of enzyme cleavage of the fluorescent substrate, notwithstanding the inhibitor, are linear rate fitted for each well.Fitted rates for all wells for each inhibitor are fitted to the competitive inhibition equation using SigmaPlot 2000 to determine V, Km and Ki values.
9292	3	Biological Assay	The enzyme is commercially available human cathepsin L. The substrate is H-D-Val-Leu-Lys-AMC available from Bahcem. The assay buffer is 100 mM sodium acetate 1 mM EDTA, pH5.5) The DMSO stock (10 mM in 100% DMSO) is diluted to 10% in assay buffer. Enzyme is prepared at 5 nM concentration in assay buffer plus 1 mM dithiothreitol just before use. 2 ul of 10 mM inhibitor made up in 100% DMSO is dispensed into row A. 10 &#956;l of 50 &#956;M substrate (=1/200 dilution of 10 mM stock in DMSO, diluted in assay buffer).
9293	1	Thallium Flux Assay	Solutions and reagents: Thallium flux assay was performed using FluxOR kit (F10017, Life Technologies). Loading buffer, assay buffer and stimulus buffer were prepared using kit components. HBSS (Hank&#39;s balanced salt solution, Cat #14025-092) was purchased separately from Life Technologies.To prepare 10 ml of loading buffer: 10 &#956;l of FluxOR dye (reconstituted in DMSO) was first added to 100 &#956;l of powerload concentrate and this mix along with 100 &#956;l of Probenicid (100×) was then added to 9.79 ml of HBSS. Assay buffer (10 ml) was prepared by addition of 2 ml of FluxOR chloride free buffer (5×), 100 &#956;l of Probenicid (100×), and 0.2 ml of Ouabain (13.77 mM) to 7.7 ml of deionized water. Stimulus buffer was composed of 15 mM Tl2SO4, 0.75 mM K2SO4 in FluxOR chloride free buffer (diluted to 1× using deionized water). The final concentration of Tl2SO4 and K2SO4 in the assay plate was 3 mM and 0.15 mM, respectively.Plating and induction of cells: The CHO T-Rex hROMK (human Kir1.1) stable cell line was maintained in Ham&#39;s F12 media supplemented with 10% FBS, 1% Penicillin-Streptomycin, 500 &#956;g/ml Zeocin and 10 &#956;g/ml Blasticidin at 37° C. in a 5% CO2 incubator. One day before the experiment, the cells were dissociated by incubation with Versene solution (15040-066, Life Technologies) for 10 minutes at 37° C. followed by addition of growth media. The cell suspension was centrifuged at 1200 rpm for 5 min. After discarding the supernatant, the cells were resuspended in fresh growth media and cell concentration was determined using a hemocytometer. Next, 0.5 &#956;g/ml of Doxycycline was added to the cell suspension to induce hROMK channel expression and 50 &#956;l (10,000 cells/well) of cell suspension was added to each well of a poly-D lysine coated 384 well black, optically clear bottom plate (6007718, Perkin Elmer). The assay plate was kept at 37° C. in a 5% CO2 incubator.Assay protocol: On the day of experiment, media was removed and loading buffer was added (30 &#956;l/well) to the assay plate. The cells were incubated in the loading buffer for 30 minutes at 37° C. The loading buffer was then replaced by assay buffer (30 &#956;l/well) followed by addition of test compounds or controls. The cells were incubated with compounds for 30 minutes and the plate was then mounted on FlexStation (Molecular Devices) for fluorescence read out with excitation and emission wavelengths at 488 and 525 nm, respectively. Each well was read for 90 sec at 2 sec interval and the stimulus buffer was added after 20 seconds of baseline recording. The final DMSO concentration was either 0.5 or 1% in the assay plate. Positive and negative controls were defined by addition of DMSO or 3 &#956;M of a standard ROMK inhibitor, respectively, to the wells instead of a test compound.Data analysis: The slope (over a period of 15 seconds) of fluorescence increase after stimulus buffer addition was exported from SoftMax Pro into a custom made software where it was converted to % inhibition. A 10-point concentration response curve was used to estimate the IC50 value of test compounds. 
9293	2	Electrophysiology Assay	The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2), 1 MgCl2, 10 HEPES, 5 Glucose (pH 7.4). Patch pipettes with resistance between 2-5 Megaohms, when filled with a solution containing (in mM): 135 KCl, 1 EGTA, 1 MgCl2, 10 HEPES, 2 Na2ATP (pH 7.3), were used to form gigaseals. The cells were voltage clamped at &#8722;75 mV in whole-cell configuration using an Axopatch 200b or Multiclamp 700b (Molecular Devices) amplifier controlled by pClamp Software (Molecular Devices). The current was recorded by applying a voltage step to &#8722;120 mV every 10 seconds. For each compound, 4-6 concentrations were applied for 3-8 minutes in a successive manner starting with the lowest concentration. At the end of the experiment, the cells were perfused with bath solution containing 2 mM Ba2+ to isolate the contribution of hROMK current.Data analysis: Raw current values (5 traces each for control, different compound concentration and Ba2+ treatment groups) were exported from Clampfit into Microsoft Excel where the current remaining after application of Ba2+ was subtracted from raw current to obtain hROMK specific current. 
9294	1	Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 Cl prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). 
9295	1	Inhibitory Activity Assay	The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the website of PerkinElmer (U-TRF #38) and a patent of GlaxoSmithKline (WO2012135113).To measure the inhibitory activity, first, the compound of the present invention was serially diluted in dimethylsulfoxide (DMSO). Sequentially, the solution of the compound of the present invention in DMSO (final concentration of DMSO: 5%) and human LSD1 protein (Abcam, ab80379) were added to a reaction buffer (25 mM Tris-HCl (pH 7.5), 50 mM KCl, 2 mM CHAPS, 1 mM DTT, 0.02% BSA). The mixture was preincubated at 25° C. for 30 minutes. Thereafter, a H3K4 (Me1)-biotin-labeled peptide (Anaspec #64355) (final concentration: 200 nM) was added thereto and reacted for 60 minutes. Tranylcypromine (final concentration: 3 mM) was then added thereto to terminate the reaction. Thereafter, a detection solution containing an Eu-labeled anti-H3K4 antibody (PerkinElmer, TRF0404) and Streptavidin Alexa Fluor 647 (Thermo Fisher Scientific, 521374) was added thereto, and the mixture was allowed to stand at room temperature for 1 hour. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at two wavelengths: 620 nm and 665 nm. The demethylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which demethylation was inhibited by 50% was defined as IC50 (nM). 
9297	1	GTP&#947;S Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, and 0.1% (w/v) BSA with 200 mM NaCl, 3 &#956;M GDP] and membranes expressing human APJ receptor/well along with WGA PS beads. The reaction was initiated by addition of 0.2 nM [35S]GTP&#947;S in the absence or presence of various ligands and incubated at RT for 90 min. Nonspecific binding was determined in the presence of 100 &#956;M GTP&#947;S and was always less than 0.2% of total binding. 
9299	1	Fluorescence-Based Amplex Red Glutamic Acid Assay 	The PSMA inhibitory activity was determined using a modification of the fluorescence-based Amplex Red Glutamic Acid Assay. Briefly, lysates of LNCaP cell extracts (25 &#956;L) were incubated with the inhibitor (12.5 &#956;L) in the presence of 4 &#956;M N-acetylaspartylglutamate (NAAG) (12.5 &#956;L) for 120 min. The amount of the glutamate released by NAAG hydrolysis was measured by incubating with a working solution (50 &#956;L) of the Amplex Red Glutamic Acid Kit for 60 min. Fluorescence was measured with a VICTOR3V multilabel plate reader with excitation at 490 nm and emission at 642 nm. Inhibition curves were determined using semi-log plots and IC50 values were determined at the concentration at which enzyme activity was inhibited by 50%. Enzyme inhibitory constants (Ki values) were generated using the Cheng-Prusoff conversion. Assays were performed in triplicate.
9300	1	Kinase Inhibition Assay	The following assay protocol is for measuring the phosphorylation of a peptide substrate (FAM-KKLRRTLSVA-OH wherein FAM is carboxyfluorescein). The peptide is >98% purity by Capillary Electrophoresis. The peptide is phosphorylated by the protein kinase ROCK1 or ROCK2. The ROCK1 or ROCK2 enzyme, substrate, and cofactors (ATP and Mg2+) are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. in the presence or absence of an inhibitor compound. At the end of the incubation, the reaction is quenched by the addition of an EDTA-containing buffer. The substrate and product are separated and quantified electrophoretically using the microfluidic-based LABCHIP 3000 Drug Discovery System from Caliper Life Sciences (Hopkinton, Mass.).The components of the assay mixture are:100 mM HEPES, pH 7.50.1% BSA0.01% Triton X-1001 mM DTT10 mM MgCl210 &#956;M Sodium Orthovanadate10 LM Beta-Glycerophosphate5 &#956;M ATP (for ROCK1) or 7 &#956;M ATP (for ROCK2)1% DMSO (from compound)1.25 &#956;M FAM-KKLRRTLSVA-OH3 nM ROCK1 or 2.5 nM ROCK2 enzymeSubstrate and product peptides present in each sample are separated electrophoretically using the LABCHIP 3000 capillary electrophoresis instrument. As substrate and product peptides are separated two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured reflecting enzyme activity. Capillary electrophoregramms (RDA acquisition files) are analyzed using HTS Well Analyzer software (Caliper Life Sciences, Hopkinton, Mass.). The kinase activity in each sample is determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product peptide and S is the peak height of the substrate peptide. For each compound, enzyme activity is measured at various concentrations (12 concentrations of compound spaced by 3× dilution intervals).
9301	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections. The results of these experiments contributed to the definition of the efficacy profile of the compounds.
9302	1	Scintillation Proximity Assay	The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4). The final assay volume (250 &#956;l/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences. Inc. Boston, Mass. USA) and either test compound in dilution series or 1 &#956;M unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hNOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston, Mass. USA). After incubation for 60 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter.
9302	2	Receptor Binding Assay	The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co. St. Louis, Mo.). The final assay volume (250 &#956;l/well) included 1 nM of [N-allyl-2.3-3H]naloxone as ligand (PerkinElmer Life Sciences. Inc. Boston, Mass. USA) and either test compound in dilution series or 25 &#956;M unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston, Mass. USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter.
9303	1	FLIPR Assay	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
9303	2	Electrophysiology Assay	On the day of experimentation, cells are prepared by removing media and digesting with appropriate enzymes to suspend cells in external solution.Whole cell currents are recorded using the whole-cell patch clamp configuration using an Patchliner (Nanion Technologies, Munich Germany), EPC 10 quadro amplifiers (HEKA, Bellmore, N.Y.) and PatchControl HT 10905 (Nanion Technologies) and PatchMaster v2×73 software (HEKA) and stored on a personal computer. Gigaseals are formed and the whole-cell configuration is established in voltage clamp mode, and membrane currents generated by hNav1.7 are recorded. NPC-16 chips have resistance values between 1.0 and 2.0 M&#937; when filled with pipette solution and series resistance (<
9304	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 uL was transferred to the wells of a 384-well plate. For FGFR3, a 10 uL volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 uL solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 uM respectively) in assay buffer to the wells. The plate was incubated at 25 &deg; C. for 1 hr. The reactions were ended with the addition of 10 uL/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate could equilibrate for ~1 hr before scanning the wells on a PheraStar plate reader.
9305	1	In Vitro c-Met Kinase Enzyme Assay	Briefly, histidine-tagged c-Met catalytic domain fusion protein was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr that was coated (0.01 mg/per well) on 96-well microplates. The reaction was carried out in a 50 &#956;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &#956;M Na3VO4, 5 &#956;M ATP and serial dilutions of individual compounds. The reaction lasted for 25 minutes at 30° C. After the reaction was completed, the contents of the plates was discarded. Plates were then washed with TBS-T (250 &#956;L/well, 5×) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &#956;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour. Plates were washed with TBS-T (250 &#956;L/well, 5×) and followed by the color reaction using 100 &#956;L (1:1 mixture) of H2O2 and tetramethylbenzidine. The reaction was stopped in minutes with 100 &#956;L of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm.
9306	1	Enzyme Inhibition Assay	Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0; ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer; MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9306	2	Inhibition Assay	CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II (human, full length) stock solution (1.0 mg/mL in 20 mM HEPES, 50 mM NaCl, pH 7.4), diluted to 2133× final concentration in assay buffer;4-NPA substrate solution: 4-NPA substrate stock solution (250 mM in DMSO, stored at &#8722;20° C.), diluted to 50× final concentration in deionized water.Test compounds (10 mM stock in DMSO, 100 &#956;L) were obtained in 96-well sample plates (Corning Costar #3655) and diluted to 0.5 mM. Column-wise serial dilutions were made by transferring 20 &#956;L compound solutions to the next column, from column 3 up to 22. After this, 1.2 &#956;L were transferred to 384 well assay plates (Corning Costar #3701). Then 30 &#956;L of 16 nM hCA II solution was added (8 nM final concentration), mixed five times. 30 &#956;L of 4-NPA substrate solution was added (2.5 mM final concentration), mixed five times. Absorbance at 340 nm was then measured immediately as time zero. The assay plates were incubated at room temperature for 1 hour and then measured as time 1 hour.
9308	1	Scintillation Proximity Assay	PI3K-&#947;: [&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
9308	2	Scintillation Proximity Assay	PI3K&#948;: [&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins. ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich.The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount.
9309	1	Scintillation Proximity Assay (SPA)	Human PDE4B1 coding sequence (amino acids 122 to 736 from the sequence with accession number Q07343) with the mutations resulting in the amino acid substitutions S134E, S654A, S659A, and S661A was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include a N-terminal His6 affinity tag to aid in purification followed by a thrombin cleavage site. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. Insect cell paste was lysed and after centrifugation, the supernatant was chromatographed on Ni-NTA agarose (Qiagen) as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. Ni-NTA agarose eluting fractions containing PDE4 were pooled, diluted with Q buffer A (20 mM Tris HCl pH 8, 5% glycerol, 1 mM TCEP) to reduce NaCl to &#152;100 mM and loaded on a Source 15Q (GE Healthcare) column. After washing with Q buffer A/10% buffer B to baseline, PDE4D was eluted with a gradient from 10% to 60% of Buffer B (20 mM Tris HCl pH 8, 1 M NaCl, 5% glycerol, 1 mM TCEP). PDE4D fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, frozen and stored at &#8722;80° C.
9309	2	Scintillation Proximity Assay (SPA)	Human PDE4A3 coding sequence (amino acids 2 to 825 from the sequence with accession number NP_001104779) was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include an N-terminal His6 affinity tag and a C-terminal FLAG affinity tag to aid in purification. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection. Insect cell paste was lysed and after centrifugation, the supernatant was batch bound to Ni-NTA agarose (GE Healthcare) and eluted with 250 mM imidazole. This eluate was diluted with FLAG buffer (50 mM Tris HCl pH 7.5, 100 mM NaCl, 5% glycerol, 1 mM TCEP with protease inhibitors) and batch bound to ant-FLAG M2 agarose (Sigma) overnight at 4° C. The agarose was packed into a column, washed with buffer and eluted with buffer containing elute using 250 &#956;g/mL Flag-peptide. Fractions were analyzed using SDS-PAGE Coomassie blue staining and pooled based on purity. Pooled fractions were chromatographed on a S200 120 mL column (GE Healthcare) in 50 mM Tris HCl pH 7.5, 150 mM NaCl, 10% glycerol, 2 mM TCEP with protease inhibitors. PDE4A3 fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, dialyzed against 50 mM Tris HCl pH 7.5, 100 mM NaCl, 20% glycerol, 2 mM TCEP, frozen and stored at &#8722;80° C.
9309	3	Scintillation Proximity Assay (SPA)	Human PDE4C1 coding sequence (amino acids 2 to 712 from the sequence with accession number NP_000914.2) was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include an N-terminal His6 affinity tag and a C-terminal FLAG affinity tag to aid in purification. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected with the virus stock and cells were harvested 72 hours after infection. Insect cell paste was lysed and after centrifugation, the supernatant was batch bound to Ni-NTA agarose (GE Healthcare) and eluted with 250 mM imidazole. This eluate was diluted with FLAG buffer (50 mM Tris HCl pH 7.5, 100 mM NaCl, 5% glycerol, 1 mM TCEP with protease inhibitors) and batch bound to anti-FLAG M2 agarose (Sigma) overnight at 4° C. The agarose was packed into a column, washed with buffer and eluted with buffer containing elute using 250 &#956;g/mL Flag-peptide. Fractions were analyzed using SDS-PAGE Coomassie blue staining and pooled based on purity. Pooled fractions were chromatographed on a S200 120 mL column (GE Healthcare) in 50 mM Tris HCl pH 7.5, 150 mM NaCl, 10% glycerol, 2 mM TCEP with protease inhibitors. PDE4C1 fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, dialyzed against 50 mM Tris HCl pH 7.5, 100 mM NaCl, 20% glycerol, 2 mM TCEP, frozen and stored at &#8722;80° C.
9309	4	Scintillation Proximity Assay (SPA)	A portion of the human PDE4D3 coding sequence (amino acids 50 to 672 from the sequence with accession number Q08499-2) was cloned into the baculovirus expression vector pFastBac (Invitrogen) engineered to include a C-terminal His6 affinity tag to aid in purification as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. The recombinant Bacmid was isolated and used to transfect insect cells to generate a viral stock. To generate cell paste for purification, insect cells were infected and cells were harvested 72 hours after infection. Insect cell paste was lysed and after centrifugation, the supernatant was chromatographed on Ni-NTA agarose (Qiagen) as described in Seeger, T. F. et al., Brain Research 985 (2003) 113-126. Ni-NTA agarose eluting fractions containing PDE4 were pooled, diluted with Q Buffer A (50 mM Tris HCl pH 8, 4% glycerol, 100 mM NaCl, 1 mM TCEP, Protease inhibitors EDTA-free (Roche)) to reduce NaCl to &#152;200 mM, and loaded on a Q Sepharose (GE Healthcare) column. After washing with Q buffer A to baseline, PDE4D was eluted with a gradient from 10% to 60% of Buffer B (50 mM Tris HCl pH 8, 1 M NaCl, 4% glycerol, 1 mM TCEP). PDE4D fractions were analyzed by SDS-PAGE Coomassie blue staining, pooled based on purity, frozen and stored at &#8722;80° C.
9310	1	3H-cGAMP Filtration Binding Assay	16 nM of [3H] c-GAMP ligand was prepared by diluting into assay buffer, and 50 uL of this working stock was manually added to each well of the assay plate. After ligand addition, 2 uL of either titrated test compound, DMSO control (Sigma #276855), or cold cGAMP control (prepared in-house) was added to the appropriate wells using a Biomek FX. The serially titrated compound was prepared on a Hamilton STARPlus CORE in a 96-well plate (Greiner, #651201) using a 1:3 ten-point dose response format. Following compound addition, a 2.2 ug/ml working concentration of STING membrane (SEQ. ID. No. 3) was prepared by diluting concentrated membrane into assay buffer (lx PBS; Invitrogen # SH30028.02) and douncing 7× using a manual tissue homogenizer (Wheaton, #357546). 148 uL of this prepared membrane was then manually added to each well of a 96-well deep-well polypropylene plate (Fisher Scientific, #12-566-121). Compound, ligand, and membrane then incubated for 60 min at RT before the contents of each assay plate were filtered through a 96-well GF/B filter plate (PerkinElmer, #6005250) using a TomTec MachIII Cell Harvester equipped with 20 mM HEPES buffer (Fisher Scientific, # BP299500). The filter plates were then dried at 55° C. for 30 min using a pressurized VWR oven before 30 uL of Ultima GoldF scintillate was added to each well. Tritium levels for each reaction well were then measured using a PerkinElmer TopCount plate reader.
9311	1	TR-FRET Kinase Assay	The ability of compounds to inhibit ASK1 kinase activity was determined using a time resolved fluorescence resonance energy transfer [TR-FRET] assay utilizing biotinylated myelin basic protein [biotin-MBP] as the protein substrate. A Beckman Biomek FX liquid handling robot was utilized to spot 2 &#956;L/well of compounds in 2.44% aqueous DMSO into low volume 384-well polypropylene plates [Nunc, #267460] to give a final concentration of between 100 &#956;M and 0.5 nM compound in the kinase assay. A Deerac Fluidics Equator was used to dispense 3 &#956;L/well of 0.667 ng/&#956;L [Upstate Biotechnologies, #14-606, or the equivalent protein prepared in-house] and 0.1665 ng/mL biotin-MBP [Upstate Biotechnologies, #13-111] in buffer (85 mM MOPS, pH 7.0, 8.5 mM Mg-acetate, 5% glycerol, 0.085% NP-40, 1.7 mM DTT and 1.7 mg/mL BSA) into the plates containing the spotted compounds. The enzyme was allowed to pre-incubate with compound for 20 minutes prior to initiating the kinase reaction with the addition of 5 &#956;L/well 300 &#956;M ATP in buffer (50 mM MOPS, pH 7.0, 5 mM Mg-acetate, 1 mM DTT, 5% DMSO) using the Deerac Fluidics Equator. The kinase reactions were allowed to proceed for 20 minutes at ambient temperature and were subsequently stopped with the addition of 5 &#956;L/well 25 mM EDTA using the Deerac Fluidics Equator. The Biomek FX was then used to transfer 1 &#956;L/well of each completed kinase reaction to the wells of an OptiPlate-1536 white polystyrene plate [PerkinElmer, #6004299] that contained 5 &#956;L/well detection reagents (1.11 nM Eu-W1024 labeled anti-phosphothreonine antibody [PerkinElmer, #AD0094] and 55.56 nM streptavidin allophycocyanin [PerkinElmer, #CR130-100] in 1×LANCE detection buffer [PerkinElmer, #CR97-100]). 
9312	1	G protein signaling assays	A standard [35S]GTP&#947;S binding assay in membranes prepared from CHO cells expressing the human MOR was performed in a concentration response manner. All compounds were run in parallel with DAMGO and morphine.
9313	1	PI3K (p110alpha/p85alpha) (h) [Non-Radioactive Assay]	PI3K (p110&#945;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the ATP solution. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
9313	2	PI3K (p110beta/p85alpha) (h) [Non-Radioactive Assay]	PI3K (p110&#946;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4,5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
9313	3	PI3K (p110delta/p85alpha) (h) [Non-Radioactive Assay]	PI3K (p110&#948;/p85&#945;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
9313	4	PI3K (p120gamma) (h) [Non-Radioactive Assay]	PI3K (p120&#947;) (h) is incubated in assay buffer containing 10 &#956;M phosphatidylinositol-4, 5-bisphosphate and MgATP (concentration as required). The reaction is initiated by the addition of the MgATP mix. After incubation for 30 minutes at room temperature, the reaction is stopped by the addition of stop solution containing EDTA and biotinylated phosphatidylinositol-3,4,5-trisphosphate. Finally, detection buffer is added, which contains europium-labelled anti-GST monoclonal antibody, GST-tagged GRP1 PH domain and streptavidin-allophycocyanin. The plate is then read in timeresolved fluorescence mode and the homogenous time-resolved fluorescence (HTRF) signal is determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
9313	5	hERG Assay	Voltage clamp protocol: Computer software was used to set voltage clamp protocols. In whole-cell model, cells were held at &#8722;80 mV, first depolarized to &#8722;50 mV for 80 ms, and then depolarized to +20 mV for 4800 ms to activate the hERG channels. After that the cells were repolarized to &#8722;50 mV for 5000 ms to elicit the characteristic tail currents. Finally the cells were held at &#8722;80 mV again. The peak values of tail currents were sampled for analysis.Automated QPatch procedure: After achieving break-in (whole-cell) configuration, the cells were recorded for 120 sec to assess current stability. The voltage protocol described above was then applied to the cells every 15 sec throughout the whole procedure. Only stable cells with recording parameters above threshold were allowed to enter the drug application procedure. All experiments were conducted at room temperature (about 25° C.). External solution containing 0.1% DMSO (vehicle) was applied to the cells to establish the baseline. After allowing the current to stabilize for 3 minutes, compound was applied. Compound solution was added and the cells were kept in the test solution until the compound&#39;s effect reached a steady state or for a maximum of 4 min. For dose response assay, compound was applied to the cells accumulatively from low to high concentrations. Washout with external solution was performed after compound testing. Positive control cisapride is used in the experiments to test the same batch of cells used for test compounds to ensure the normal response and the good quality of the cells.Data were analyzed using Assay Software provided by Sophion, Microsoft Excel and Graphpad Prism.
9314	1	UV-vis cuvette-based assay	UV-vis cuvette-based assay.
9315	1	radioligand binding assay	radioligand binding assay.
9316	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for &#956; opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p 3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human &#956; opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p 1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. IC50 values were calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand) (Cheng and Prusoff, 1973).
9317	1	Evaluation of GLUT9 Inhibitory Activity	Uricase/Hyper transiently-transfected human GLUT9 stably expressing cells or mock cells (blank) were seeded in a 96 well plate (Corning) at 1.6×105 cells/well, and cultured overnight at 37° C., 5% CO2. D-MEM/high glucose (Wako Pure Chemical Industries, Ltd.) containing 10% Fetal Bovine Serum (Lifetechnology) and 100 units/ml penicillin/100 &#956;g/ml streptomycin (GIBCO) was used as a medium. High K&#8722; buffer (129.8 mM KCl, 1.2 mM KH2PO4, 1.2 mM MgSO4.7H2O, 1.3 mM CaCl2. 2H2O, 25 mM HEPES, pH 7.4 with 1 M Tris) and the medium were mixed in equal amount to prepare Assay Buffer. The medium in each well was removed, and the test compound solution (final 1% DMSO) diluted with Assay Buffer was added thereto at 50 &#956;l/well, and the mixture was left stand at room temperature for 30 to 60 min. For the solvent control and blank, Assay Buffer containing DMSO alone was added at 50 &#956;l/well, and the mixture was left stand at room temperature for 30 to 60 min. In addition, uric acid solution (containing [14C]uric acid as a tracer) diluted with Assay Buffer was added to each well at 15 &#956;l/well (final 300 &#956;M uric acid), and the uptake reaction was performed at room temperature for 6 min. After the completion of the reaction, the cells were washed three times with ice-cooled Wash Buffer (Hank&#39;s Balanced Salt Solution containing 0.01% Bovine Serum Albumin) at 150 &#956;l/well, and 0.1N aqueous NaOH solution was added thereto at 25 &#956;l/well to dissolve the cell. MicroScint-20 (Perkin-Elmer) was added thereto at 150 &#956;l/well, the plate was shaked, and CPM of [14C] was measured by TopCount NXT (Perkin-Elmer).Data was obtained by deducting average of CPM in blank well from average of CPM in each treated well. The inhibitory rate of the test compound in each concentration was calculated from the following formula: [(A&#8722;B)/A]×100, A is data of solvent control, B is data of test compound treatment. IC50 value (50% inhibition concentration) of the test compound was obtained by applying the inhibitory rate of the test compound in each concentration to logistic curve.
9318	1	n vitro cytoprotection assay	HEp-2 cells, (originally derived from tumors grown in irradiated-cortisonised weanling rats that had been injected with epidermoid carcinoma tissue from a 56 year old male&#39;s larynx, but later found to be indistinguishable from HeLa cells by PCR DNA analysis), were used for the culturing of genotype A, Long strain RSV. Flasks were inoculated with RSV and viral stocks were collected once cytopathic effect (CPE) was greater than 90%. Viral stocks in 25% sucrose media were snap frozen using liquid nitrogen to increase viral stability. Viral stock titers were quantified by tissue culture infectious dose 50% (TCID50) using 8,000 cells per well and 3-fold viral dilutions across a 96-well plate, cultured for 4 days.Following extensive parameter testing, the final assay is run as follows: HEp-2 cells are seeded into the inner 60 wells of a 96-well plate at 8,000 cells per well in a volume of 50 using Growth Media (DMEM without phenol red, 1% L-Glut, 1% Penn/Strep, 1% nonessential amino acids, 10% FBS). 2-fold serial dilutions of control and test compounds are added to the wells in duplicate in a total volume of 25 &#956;L. Viral stock is then added to the wells in a volume of 25 &#956;L, bringing the total volume of each well to 100 &#956;L. Each 96-well plate has a control column of 6 wells with cells and virus but no compound (negative control, max CPE), a column with cells but no compound or virus (positive control, minimum CPE), and a column with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 25 uL of growth media containing an equal quantity of sucrose as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer wells of the plate are filled with 125 &#956;L of growth media to act as a thermal and evaporative moat around the test wells. Following a 4-day incubation period, the plates are read using ATPlite (50 uL added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates are read using the Envision luminometer.
9319	1	SGLT1/2 in-vitro assay	To analyze a sodium-dependent glucose transport, cells for expressing hSGLT1 and hSGLT2 were seeded at 1×105 cells per well into a 96-well culture plate, after which resulting cells were cultured in an RPMI 1640 medium containing 10% fetal bovine serum (FBS). In 1 day after culture, the resulting cells were cultured in a pre-treatment buffer solution (10 mM HEPES, 5 mM tris, 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2 and 1 mM MgCl2, pH 7.4) under 37° C./5% CO2 conditions for 10 minutes. Then, the resulting cells were cultured in a uptake buffer solution (10 mM HEPES, 5 mM tris, 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2 and 1 mM AMGS pH 7.4) containing 14C-AMG (8 &#956;M) and a compound of the present disclosure or a dimethyl sulfoxide (DMSO) vehicle under 37° C./5% CO2 conditions for 2 hours. After culture, the cells were washed twice with a washing buffer solution (a pre-treatment buffer solution containing 10 mM AMG at room temperature), after which a radiation thereof was measured by using a liquid scintillation counter. IC50 of each compound was measured according to a non-linear regression analysis by using SigmaPlot (Document Analytical Biochemistry 429: 70-75, Molecular and Cellular Biochemistry 280: 91-98, 2005).
9320	1	xanthine oxidase activity	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
9320	2	URAT1 activity	URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was used as the test transport agent, which was measured in a liquid scintillation counter, using benzbromarone as a positive control, and DMSO and non-transfected CHO cells as negative controls (Solvo Biotechnology, Boston, Mass.). Generally determined over 7 concentrations (range, 0.01 to 150 &#956;M), a semi-log plot (percent relative transport of oratate vs. time) was generated to determine the concentration at which 50% inhibition was observed (i.e., the IC50).
9321	1	Kinase Inhibition Assay	The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were serially pre-diluted in DMSO and added, by the acoustic dispensing (Labcyte 550), directly to 384 well assay plates into 10 uL of a buffer with enzyme (ITK, TXK, BTK or TEC) comprising: 100 mM HEPES, pH7.5, 5 mM MgCl2, 0.1% bovine serum albumin, 1 mM DTT, 0.01% Triton X-100 and the enzyme. Final DMSO concentration was maintained at 1% in all samples, including the controls. The reactions were initiated by addition of ATP (1 mM final concentration) and the fluorescently labeled peptide substrate to a final concentration of 1 uM, and incubated for 3 hours at 25° C. Following incubation, the reactions were quenched by addition of 40 &#956;L of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 50 mM EDTA). Terminated plates were analyzed using Caliper LabChip 3000 microfluidic electrophoresis instrument (Caliper Life Sciences/Perkin Elmer). The enzymatic modification of the peptide substrate (phosphorylation) results in a change of net charge enabling electrophoretic separation of product from substrate. As substrate and product are separated by electrophoresis, two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks was the parameter measured, reflecting enzyme activity. In the presence of inhibitor, the ratio between product and substrate is altered: signal of the product decreases, while the signal of the substrate increases. Activity in each test sample was determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product and S is the peak height of the FAM-cAMP substrate. For each compound, enzyme activity was measured at 12 concentrations spaced by 3× dilution intervals. Negative control samples (0%-inhibition in the absence of inhibitor, DMSO only) and positive control samples (100%-inhibition, in the absence of enzyme or in the presence of control inhibitor) were assembled in replicates of four and were used to calculate %-inhibition values in the presence of compounds. Percent inhibition (Pinh) was determined using the following equation: Pinh=(PSR0%&#8722;PSRinh)/(PSR0%&#8722;PSR100%)*100, where PSRinh is the product sum ratio in the presence of inhibitor, PSR0% is the product sum ratio in the absence of inhibitor and PSR100% is the product sum ratio in 100%-inhibition control samples. To determine IC50 values, the inhibition curves (Pinh versus inhibitor concentration) were fitted by 4 parameter sigmoid dose-response model using XLfit software (IDBS).
9322	1	Transactivation assays	Transcriptional transactivation assays were performed with gal4 fusion receptor constructs, created using each of the RAR ligand binding domains of either mouse or human, co-transfected with the pFR-luc (Stratagene) reporter construct in COS-7 cells. Thus, transfected cells will constitutively express the gal4-RAR fusion protein which in turn may be transactivated by all trans retinoic acid (atRA) to induce the expression of the luciferase that is driven by a gal4UAS.Briefly, on day 1, 96 well plates were seeded with 8000 cells per well then left to recover overnight. On day 2, the cells were co-transfected with 100 ng of reporter plasmid and 10 ng of the appropriate receptor plasmid per well using lipofectamine (Invitrogen). On day 3, the lipofectamine containing media was replaced by a DMEM without phenol red, followed by the addition of test compound dissolved in 1 &#956;L of DMSO to each well&#39;s 100 &#956;L total volume. Finally, on day 4, the cells were lysed and their luciferase substrate was provided by the BrightGlo reagent (Promega), the plates were then read on the MicroBeta TriLux (Perkin Elmer).On each plate, an 8 point dose-response curve of atRA was run in duplicate and dose-response curves of test compounds were also generated in duplicate.EC50 data both for test compounds and atRA was generated by fitting dose-response curves using GraphPad Prism . Data for test compounds are quoted as EC50 values. Where replicate data has been generated, the data are quoted as the mean EC50 from the separate experiments.
9323	1	Sodium Influx Assay (In Vitro Assay)	This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which are maintained in an open state by use of sodium channel modulators. This high throughput sodium influx assay allows for rapid profiling and characterization of sodium channel blockers.In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
9323	2	Electrophysiological Assay (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nav&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. Nav1.1, Nav1.5 and Nav1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete. The voltage is then stepped back to a very negative (Vhold=&#8722;150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
9324	1	Biochemical Assay for IDH Inhibition	Solution A was prepared by combining 1 M Tris-HCl pH7.5 (300 &#956;L), 5 M NaCl (450 &#956;L), 1 M MgCl2 (150 &#956;L), 1 M DTT (15 &#956;L), 20 mg/mL BSA (37.5 &#956;L), 20 mM NADPH (20 &#956;L), and 0.5 mM &#945;-KG (40 &#956;L), followed by adding deionized water to a final volume of 15 mL.Reaction buffer was prepared by combining 1 M Tris-HCl pH 7.5 (200 &#956;L), 5 M NaCl (300 &#956;L), 1 M MgCl2 (100 &#956;L), 1 M DTT (10 &#956;L) and 20 mg/mL BSA (25 &#956;L), followed by adding deionized water to a final volume of 10 mL.Solution B was prepared by combining the reaction buffer (5 mL) and 192 M IDH1-R132H (5.21 &#956;L) or 107 &#956;M IDH1-R132C (4.67 &#956;L).148 &#956;L Solution A was added into each sample well of a 96-well plate P1, and then 2 &#956;L of the test compound solution at each concentration and 2 &#956;L of DMSO (negative control/blank) were added into individual sample well respectively. 50 &#956;L of Solution B was added into each of the sample wells having test compounds and one sample well having DMSO only, and 50 &#956;L of reaction buffer was added into another sample well having DMSO only, respectively. P1 was put into BioTek Synergy H4 Microplate reader (BioTek Instruments Inc., Winooski, U.S.), and the program was set as follows: 37° C., shake plate 5 seconds, run kinetic mode, total detection time 20 min, detection intervals 40 seconds, detection mode fluorescence (at Excitation 340 nm, Emission 460 nm). The data were exported, the relative enzyme activity and the half-maximal inhibitory concentration (IC50) for the test compound were calculated. Relative enzyme activity was calculated as the absolute value of the slope of the Emission 460 reads of each well plotted against time (which represents the conversion rate of ca-KG to 2-HG through IDH1 modulated utilization of NADPH). The Dose-response curve was drawn and the IC50 was calculated via fitting. The IDH inhibition and selectivity of each test compound can be evaluated according to the effect of the compounds on the IDH enzyme activity.
9325	1	FGFR1 Activity Inhibition Test	The in vitro activity of FGFR1 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF (Homogeneous Time-Resolve Fluorescence) kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted enzymatic buffer/kinase 5× (Cisbio, Catalog number 62EZBFDD) (major ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR1 catalytic structural domain protein (amino acids 308-731) was purchased from Tsinghua Protein Purification and Characterization Center, located in Zheng Yutong Building, Tsinghua University, diluted with the reaction buffer to a 0.6 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 400 nM (Cisbio, catalog number 62TKOPEC), and 40 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody (Cisbio, Catalog number 61T66KLB) diluted with the assay buffer (Cisbio, Catalog number 62SDBRDF) to 0.125 ng/&#956;L, and 25 nM streptavidin labeled XL665 (Cisbio, Catalog number 610SAXLB).The compound was dissolved and diluted in 100% DMSO to 1 mM, then 4-fold-series diluted with DMSO to a minimum concentration of 0.061 &#956;M, and each concentration point was then 40-fold diluted with the reaction buffer. If the IC50 value of the compound was very low, the initial concentration of the compound could be reduced.4 &#956;L of a compound solution and 2 &#956;L of an FGFR1 kinase solution were added into a 384 well assay plate (Thermofish, Catalog number 264706), mixed uniformly and then incubated for 15 min at room temperature; subsequently, 4 &#956;L of the substrate reaction solution was added therein, and the reaction mixture was incubated for 60 min at room temperature; and then 10 &#956;L of an assay solution of an equal volume to the reaction was added therein and mixed uniformly, followed by placement at room temperature. After 60 min, the enzyme reaction was terminated by EDTA in the assay solution, and the phosphorylated products were identified by both the Eu3+ labeled cage-shaped antibody (donor) and the streptavidin labeled XL665 antibody (receptor) at the same time. After the excitation with laser, the donors and receptors that were close to each other experienced energy resonance transfer, and the energy transferred from the donor (620 nm) to the receptor (665 nm) could be detected with Envision (Perkin Elmer, company located in Limon City, Calif., USA). The ratio of 665/620 is in positive correlation to the phosphorylation degree of the substrate, thereby to detect the FGFR1 kinase activity. In this experiment, the group without the FGFR1 protein added was used as a negative control (100% inhibition), and the group with the FGFR1 protein but without the compound added was used as a positive control (0% inhibition). The inhibition percentage of the compound against FGFR1 activity could be calculated with the following formula:Inhibition percentage=100&#8722;100*(signalcompound&#8722;signalnegative control)/(signalpositive control&#8722;signalnegative control)The IC50 value of the compound was calculated by the following formula, from 10 concentration points, with software XLfit (ID Business Solutions Ltd., UK):Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50 &#8722;X)*slope factor))Where, Y is the inhibition percentage, Bottom is the bottom plateau value of the S-type curve, Top is the top plateau value of the S-type curve, X is the log value of the compound concentration to be measured, and slope factor is the slope coefficient of the curve.
9325	2	FGFR2 Activity Inhibition Test	The in vitro activity of FGFR2 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5× (Cisbio, Catalog number 62EZBFDD) (main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR2 catalytic structural domain protein (amino acids 400-821) was commercially available from Beijing Sino Biological Inc. (Zhonghe Street 14, B-203, Beijing Economic and Technological Development Zone, 4008909989), diluted with the reaction buffer to a 0.045 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 800 nM (Cisbio, catalog number 62TKOPEC), and 50 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody (Cisbio, Catalog number 61T66KLB) diluted with the assay buffer (Cisbio, Catalog number 62SDBRDF) to 0.125 ng/&#956;L, and 50 nM streptavidin labeled XL665 (Cisbio, Catalog number 610SAXLB).The compound was dissolved and diluted in 100% DMSO to 100 &#956;M, then 4-fold-series diluted with DMSO to a minimum concentration of 0.0061 &#956;M, and each concentration point was then 40-fold diluted with the reaction buffer. If the IC50 value of the compound was very low, the initial concentration of the compound could be reduced.4 &#956;L of a compound solution and 2 &#956;L of an FGFR2 kinase solution were added into a 384 well assay plate (Thermo, Catalog number 264706), mixed uniformly and then incubated for 15 min at room temperature; subsequently, 4 &#956;L of the substrate reaction solution was added therein, and the reaction mixture was incubated for 60 min at room temperature; and then 10 &#956;L of an assay solution of an equal volume to the reaction was added therein and mixed uniformly, followed by placement at room temperature. After 60 min, the enzyme reaction was terminated by EDTA in the assay solution, and the phosphorylated products were identified by both the Eu3+ labeled cage-shaped antibody (donor) and the streptavidin labeled XL665 antibody (receptor) at the same time. After the excitation with laser, the donors and receptors that were close to each other experienced energy resonance transfer, and the energy transferred from the donor (620 nm) to the receptor (665 nm) could be detected with Envision (Perkin Elmer, company located in in Limon City, Calif., USA). The ratio of 665/620 is in positive correlation to the phosphorylation degree of the substrate, thereby to detect the FGFR2 kinase activity. In this experiment, the group without the FGFR2 protein added was used as a negative control (100% inhibition), and the group with the FGFR2 protein but without the compound added was used as a positive control (0% inhibition). The inhibition percentage of the compound against FGFR2 activity could be calculated with the following formula:Inhibition percentage=100&#8722;100*(signalcompound&#8722;signalnegative control)/(signalpositive control&#8722;signalnegative control)The IC50 value of the compound was calculated by the following formula, from 10 concentration points, with software XLfit (ID Business Solutions Ltd., UK):Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50 &#8722;X)*slope factor))Where, Y is the inhibition percentage, Bottom is the bottom plateau value of the S-type curve, Top is the top plateau value of the S-type curve, X is the log value of the compound concentration to be measured, and slope factor is the slope coefficient of the curve.
9325	3	FGFR3 Activity Inhibition Test	The in vitro activity of FGFR3 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5× (Cisbio, Catalog number 62EZBFDD) (main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR3 catalytic structural domain protein (amino acids 399-806) was commercially available from Sino Biological Inc. (Zhonghe Street 14, Beijing Economic and Technological Development Zone), diluted with the reaction buffer to a 0.3 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 1000 nM (Cisbio, catalog number 62TKOPEC), and 90 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody (Cisbio, Catalog number 61T66KLB) diluted with the assay buffer (Cisbio, Catalog number 62SDBRDF) to 0.125 ng/&#956;L, and 62.5 nM streptavidin labeled XL665 (Cisbio, Catalog number 610SAXLB).The compound was dissolved and diluted in 100% DMSO to 100 &#956;M, then 4-fold-series diluted with DMSO to a minimum concentration of 0.0061 &#956;M, and each concentration point was then 40-fold diluted with the reaction buffer. If the IC50 value of the compound was very low, the initial concentration of the compound could be reduced.4 &#956;L of a compound solution and 2 &#956;L of an FGFR3 kinase solution were added into a 384 well assay plate (Thermofish, Catalog number 264706), mixed uniformly and then incubated for 15 min at room temperature; subsequently, 4 &#956;L of the substrate reaction solution was added therein, and the reaction mixture was incubated for 60 min at room temperature; and then 10 &#956;L of an assay solution of an equal volume to the reaction was added therein and mixed uniformly, followed by placement at room temperature. After 60 min, the enzyme reaction was terminated by EDTA in the assay solution, and the phosphorylated products were identified by both the Eu3+ labeled cage-shaped antibody (donor) and the streptavidin labeled XL665 antibody (receptor) at the same time. After the excitation with laser, the donors and receptors that were close to each other experienced energy resonance transfer, and the energy transferred from the donor (620 nm) to the receptor (665 nm) could be detected with Envision (Perkin Elmer, company located in Limon City, Calif., USA). The ratio of 665/620 is in positive correlation to the phosphorylation degree of the substrate, thereby to detect the FGFR3 kinase activity. In this experiment, the group without the FGFR3 protein added was used as a negative control (100% inhibition), and the group with the FGFR3 protein but without the compound added was used as a positive control (0% inhibition). The inhibition percentage of the compound against FGFR3 activity could be calculated with the following formula:Inhibition percentage=100&#8722;100*(signalcompound&#8722;signalnegative control)/(signalpositive control&#8722;signalnegative control)The IC50 value of the compound was calculated by the following formula, from 10 concentration points, with software XLfit (ID Business Solutions Ltd., UK):Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50 &#8722;X)*slope factor))Where, Y is the inhibition percentage, Bottom is the bottom plateau value of the S-type curve, Top is the top plateau value of the S-type curve, X is the log value of the compound concentration to be measured, and slope factor is the slope coefficient of the curve.
9325	4	FGFR4 Activity Inhibition Test	The in vitro activity of FGFR4 was determined by assaying the phosphorylation level of the substrate in the kinase reaction, by means of an HTRF kinase assay kit. The reaction buffer comprised the following components: 5-fold diluted Enzymatic buffer/kinase 5× (Cisbio, Catalog number 62EZBFDD) (main ingredient: 50 mM HEPES, pH 7.0), 5 mM MgCl2, 1 mM DTT; the human recombinant FGFR4 catalytic structural domain protein (amino acids 460-802) was commercially available from Tsinghua Protein Purification and Characterization Center, diluted with the reaction buffer to a 0.5 ng/&#956;L kinase solution; the substrate reaction solution comprised a biotin labeled tyrosine kinase substrate diluted with the reaction buffer to 500 nM (Cisbio, catalog number 62TKOPEC), and 90 &#956;M ATP, and the assay solution comprised an Eu3+ labeled cage-shaped antibody (Cisbio, Catalog number 61T66KLB) diluted with the assay buffer (Cisbio, Catalog number 62SDBRDF) to 0.125 ng/&#956;L, and 31.25 nM streptavidin labeled XL665 (Cisbio, Catalog number 610SAXLB).The compound was dissolved and diluted in 100% DMSO to 100 &#956;M, then 4-fold-series diluted with DMSO to a minimum concentration of 0.0061 &#956;M, and each concentration point was then 40-fold diluted with the reaction buffer. If the IC50 value of the compound was very low, the initial concentration of the compound could be reduced.4 &#956;L of a compound solution and 2 &#956;L of an FGFR4 kinase solution were added into a 384 well assay plate (Thermo, Catalog number 264706), mixed uniformly and then incubated for 15 min at room temperature; subsequently, 4 &#956;L of the substrate reaction solution was added therein, and the reaction mixture was incubated for 60 min at room temperature; and then 10 &#956;L of an assay solution of an equal volume to the reaction was added therein and mixed uniformly, followed by placement at room temperature. After 60 min, the enzyme reaction was terminated by EDTA in the assay solution, and the phosphorylated products were identified by both the Eu3+ labeled cage-shaped antibody (donor) and the streptavidin labeled XL665 antibody (receptor) at the same time. After the excitation with laser, the donors and receptors that were close to each other experienced energy resonance transfer, and the energy transferred from the donor (620 nm) to the receptor (665 nm) could be detected with Envision (Perkin Elmer, located in Limon City, Calif., USA). The ratio of 665/620 is in positive correlation to the phosphorylation degree of the substrate, thereby to detect the FGFR4 kinase activity. In this experiment, the group without the FGFR4 protein added was used as a negative control (100% inhibition), and the group with the FGFR4 protein but without the compound added was used as a positive control (0% inhibition). The inhibition percentage of the compound against FGFR4 activity could be calculated with the following formula:Inhibition percentage=100&#8722;100*(signalcompound&#8722;signalnegative control)/(signalpositive control&#8722;signalnegative control)The IC50 value of the compound was calculated by the following formula, from 10 concentration points, with software XLfit (ID Business Solutions Ltd., UK):Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50 &#8722;X)*slope factor))Where, Y is the inhibition percentage, Bottom is the bottom plateau value of the S-type curve, Top is the top plateau value of the S-type curve, X is the log value of the compound concentration to be measured and slope factor is the slope coefficient of the curve.
9326	1	OGA Enzyme Assay	The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-&#946;-N-acetyl-D-glucosaminide (FD-GlcNAc, Kim, Eun Ju; Kang, Dae Ook; Love, Dona C.; Hanover, John A. Carbohydrate Research (2006), 341(8), 971-982) is used as a substrate at a final concentration of 6.7 &#956;M. This fluorogenic substrate becomes fluorescent upon cleavage by OGA, so that the enzyme activity can be measured by the increase in fluorescence detected at 535 nm (excitation at 485 nm).The assay buffer is prepared to give a final concentration of 50 mM H2NaPO3 HNa2PO3, 0.01% bovine serum albumin and 0.01% Triton X-100 in water, at pH 7. Compounds to be tested are diluted in pure dimethyl sulfoxide (DMSO) using ten point concentration response curves. Maximal compound concentration in the reaction mixture is 30 or 1 &#956;M. Compounds at the appropriate concentration are pre-incubated with OGA enzyme for 30 minutes before the reaction is started by the addition of substrate. The final enzyme concentration is 3.24 nM or 0.5 nM, for the 30 or 1 &#956;M maximal compound concentration, respectively. Reactions are allowed to proceed for 60 min at room temperature. Then, without stopping the reaction, fluorescence is read. IC50 values are calculated by plotting the normalized data vs. log of the compound and fitting the data using a four parameter logistic equation.
9327	1	Enzyme Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).
9329	1	Competition Radioligand Binding Assay	A3 Adenosine Receptor:Competitive assays were carried out by incubation of membranes from human A3 receptors transfected to CHO cells, [3H]-NECA, buffer (20 mM HEPES (pH 7.4), 100 mM NaCl, 10 mM MgCl2, 2 units/ml adenosine deaminase), and unlabelled ligand in a total volume of 0.2 ml for 60 min at 25° C. R-PIA was used to determine nonspecific binding. It was filtered over Schleicher & Schuell GF/52 (presoaked with 0.5% polyethyleneimine) in a Brandel cell harvester. The unbound radioligand was removed with 3×250 &#956;l of 20 mM HEPES (pH 7.4), 100 mM NaCl, 10 mM MgCl2.
9329	2	Competition Radioligand Binding Assay	A2A Adenosine Receptor: Competitive assays were carried out by incubation of membranes from human A2A receptors transfected to HeLa cells, [3H]-ZM241385, buffer (Tris-HCl 50 mM (pH=7.4), 10 mM MgCl2, EDTA 1 mM and 2 units/ml adenosine deaminase), and unlabelled ligand in a total volume of 0.2 ml for 60 min at 25° C. NECA was used to determine nonspecific binding. It was filtered over Schleicher & Schuell GF/52 (presoaked with 0.5% polyethyleneimine) in a Brandel cell harvester. The unbound radioligand was removed with 3×250 &#956;l of 20 mM Tris-HCl 50 mM (pH=7.4), 10 mM MgCl2, EDTA 1 mM.
9329	3	Competition Radioligand Binding Assay	A2B Adenosine Receptor: The binding assay for adenosine A2B receptor subtype was carried out on human recombinant source (HEK-293 cells) and [3H]DPCPX as radioligand.
9329	4	Competition Radioligand Binding Assay	Adenosine A1 Receptor: Competition assays were carried out by incubation of human recombinant membranes of adenosine receptors from hA1 receptors transfected to CHO cells, [3H] DPCPX as radioligand, buffer (HEPES 20 mM (pH=7.4), 10 mM MgCl2, 100 mM NaCl, 2 U/mL of deaminase adenosine and non-labelled ligand in a total volume of 0.2 mL for 90 min at 25° C. R-PIA was used to determinate non-specific binding. Filter over Schleicher & Schuell GF/52 (pre-soaked 0.5% polyethylenimine) in a Brandel cell harvester. Unbound radioligand was removed with HEPES 30 mM (3×250 &#956;l), NaCl (100 mM) and MgCl2 (10 mM).
9330	1	Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9330	2	Kinase Assay	Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9331	1	Biological Assay	To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. This peptide mimics the recruitment of co-activators to RORgammaT through its interaction with the LXXLL (SEQ ID NO:1). The ROR&#947;-Ligand Binding Domain TR-FRET Assay was run according to the following protocol. HIS-tagged ROR&#947;-LBD protein was recombinantly expressed in Escherichia coli. The ROR&#947;-LBD protein was purified by Ni2+-affinity resin. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 50 mM KCl, 1 mM EDTA, 0.1 mM DTT, 100 &#956;g/mL bovine serum albumin, delipidated) to obtain a ROR&#947;-LBD final concentration of 3 nM. Europium tagged anti-HIS antibody was also added to this solution (1.25 nM). Separately, SF9 cells not expressing any recombinant protein were lysed (32,000 cells per &#956;l in 25 mM Tris, 50 mM NaCl) and the previously frozen lysate was added to the diluted ROR&#947;-LBD solution at a ratio of 0.75 &#956;l SF9 lysate per 15 &#956;l of diluted ROR&#947;-LBD.
9332	1	Biochemical Assay 	The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode. 
9333	1	Inhibitory Activity Assay	The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre-incubated with an enzyme and NADPH, and then a reaction was initiated by the addition of &#945;-KG, and performed for 120 minutes under a linear condition. Then, the reaction was terminated by the addition of diaphorase (lipoamide dehydrogenase) and the corresponding substrate resazurin. Diaphorase terminated the IDH2m reaction by decreasing the available helper factor NADPH, which oxidized NADPH to NADP, and reduced resazurin to highly fluorescent resorufin. The amount of remaining helper factor NADPH after a specific reaction time was quantified via an easily detectable fluorophore. Specifically, 2.5 &#956;l of a 3-fold gradient diluted test compound was added to a 384-well plate, and then 5 &#956;l of a reaction buffer (20 mM Tris-HCl, PH7.5; 150 mM NaCl; 10 mM MgCl2; 10 mM MnCl2; 0.4 mg/ml BSA and 2 mM DTT) containing 80 nM IDH2 (R172K, 40-end) and 40 &#956;M NADPH was added. Then, the resulting test mixture was incubated for 120 minutes at a temperature of 23° C., and then 2.5 &#956;l of the reaction buffer containing 4 mM &#945;-KG was added to initiate the reaction. After incubating for 120 minutes at room temperature, 5 &#956;l of a termination mixture (0.4 U/ml diaphorase and 40 &#956;M resazurin) prepared with the reaction buffer was added to convert resazurin to resorufin to determine the remaining NADPH. After incubating for 10 minutes at a temperature of 23° C., a fluorescence value was determined through Flexstation 3 at Ex535/Em595.
9334	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;L of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader.
9335	1	In Vitro Assay	In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm.
9336	1	ATM Kinase Assay Determination of ATM Inhibition (IC50 ATM)	The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detection step. Firstly, ATM (ataxia telangiectasia mutated) protein and the test substance are incubated at different concentrations with addition of substrate protein p53 and ATP. ATM mediates the phosphorylation of p53 at several positions, including at amino acid S15. The amount of phosphorylated p53 is determined with the aid of specific antibodies and the TR-FRET technique. The enzymatic ATM assay is carried out as TR-FRET (HTRF , Cisbio Bioassays) based 384-well assay. In the first step, purified human recombinant ATM (human ATM, full length, GenBank ID NM_000051, expressed in a mammal cell line) is incubated in assay buffer for 15 minutes with the ATM inhibitor in various concentrations and without test substance as negative or neutral control. The assay buffer comprises 25 mM HEPES pH 8.0, 10 mM Mg(CH3COO)2, 1 mM MnCl2, 0.1% BSA and 0.01% Brij 35, 5 mM dithiothreitol (DTT). The test-substance solutions were dispensed into the microtitre plates using an ECHO 555 (Labcyte). In the second step, purified human recombinant cmyc-labelled p53 (human p53, full length, GenBank ID BC003596, expressed in Sf21 insect cells) and ATP are added, and the reaction mixture is incubated at 22° C. for 30-35 minutes. The pharmacologically relevant assay volume is 5 &#956;l. The final concentrations in the assay during incubation of the reaction mixture are 0.3-0.4 nM ATM, 50-75 nM p53 and 10 &#956;M ATP. The enzymatic reaction is stopped by addition of EDTA. The formation of phosphorylated p53 as the result of the ATM-mediated reaction in the presence of ATP is detected via specific antibodies [labelled with the fluorophorene europium (Eu) as donor and d2 as acceptor (Cisbio Bioassays)] which enable FRET. 2 &#956;l of antibody-containing stop solution (12.5 mM HEPES pH 8.0, 125 mM EDTA, 30 mM sodium chloride, 300 mM potassium fluoride, 0.1006% Tween-20, 0.005% Brij 35, 0.21 nM anti-phospho-p53(ser15)-Eu antibody and 15 nM anti-cmyc-d2 antibody) are added to the reaction mixture. After incubation, usually for 2 hours (between 1.5 and 15 h), for signal development, the plates are analysed in a plate reader (EnVision, PerkinElmer) using TRF mode (and with laser excitation). After excitation of the donor europium at a wavelength of 340 nm, the emitted fluorescence light both of the acceptor d2 at 665 nm and also of the donor Eu at 615 nm is measured. The amount of phosphorylated p53 is directly proportional to the quotient of the amounts of light emitted, i.e. the relative fluorescence units (RFU) at 665 nm and 615 nm. The measurement data were processed by means of Genedata Screener software. IC50 determinations are carried out, in particular, by fitting a dose/action curve to the data points by means of nonlinear regression analysis.
9336	2	ATM Kinase Assay	PI3K p110&#945;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After incubation at room temperature for 40 minutes, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665 nm/Em620 nm).
9336	3	ATM Kinase Assay	PI3K p110&#946;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665 nm/Em620 nm).
9336	4	ATM Kinase Assay	PI3K p110&#948;/p85&#945; (human) was incubated in an assay buffer comprising 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665 nm/Em620 nm).
9336	5	ATM Kinase Assay	PI3K (p120&#947;) (human) was incubated in an assay buffer comprising 10 &#956;M phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as necessary). The reaction was initiated by addition of MgATP solution. After an incubation time of 30 min at room temperature, the reaction was stopped by addition of a solution consisting of EDTA and biotinylated phosphatidylinositol 3,4,5-trisphosphate. Finally, the detection buffer, consisting of a europium-labelled anti-GST monoclonal antibody, a GST-labelled GRP1 PH domain and streptavidin allophycocyanin, was added. The plate was read out via homogeneous time-resolved fluorescence (HTRF) and the corresponding signals were evaluated via the formula HTRF=10000×(Em665 nm/Em620 nm). 
9336	6	ATM Kinase Assay	mTOR (human) was incubated with 50 mM HEPES pH 7.5, 1 mM EGTA, 0.01% Tween 20, 2 mg/ml of the substrate, 3 mM MnCl2 and [&#947;-33P-ATP] (specific activity approximately 500 cpm/pmol, concentration as necessary). The reaction was initiated by addition of MgATP solution. After incubation at room temperature for 40 minutes, the reaction was stopped by addition of 3% phosphoric acid. 10 &#956;l of the reaction solution were then transferred dropwise onto a P30 filtermat and washed three times for 5 min in 75 mM phosphoric acid and once in methanol, dried and evaluated by means of liquid scintillation counting.
9337	1	Binding Activity Assay	Binding affinity of the present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures.CHO cell membrane fraction in which human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor were expressed was purchased from PerkinElmer, Inc. In a test for evaluating binding affinity, a test compound dissolved in dimethylsulfoxide (DMSO) and each receptor membrane sample diluted in buffer were mixed with [3H]8-OH-DPAT, [3H]Ketanserin, or [3H]Spiperone (all purchased from PerkinElmer, Inc.) for 5-HT1A receptor, 5-HT2A receptor, and D2 receptor, respectively. Each mixture was incubated at room temperature for 60 minutes. Then, the mixture was added quickly on a glassfiber filter plate (Multiscreen FB, Millipore, Inc.) coated with 0.3% aqueous polyethylenimine, and vacuum-filtered. Radioactivity remaining on the filter was measured with a liquid scintillation counter (PerkinElmer, Inc.). Binding inhibition rate was calculated from the following formula. 
9338	1	Biochemical Assay	Biochemical assay was tested in the U-shaped bottom 384 plate (corning, #4514) with a final volume of 20 ul at 27° C. The concentration of CDC7 was optimized by the enzyme titration experiment. CDC7 kinase was diluted in assay buffer (40 mM Tris.HCl pH 7.25, 100 ug/mL BSA, and 20 mM MgCl2) to get 2.4× enzyme solutions. Compounds were dissolved in 10 mM DMSO, and series diluted in DMSO from 0.3 mM to 0.3 nM (5 concentration pts); All dilutions were diluted 30× in assay buffer to get 6× compounds solutions. MCM2 Substrate and ATP were diluted to 2.4× mixed solution. Add 2 ul test compound solution to 384 assay plate, then add 5 ul substrate/ATP mixed solution, at last add 5 ul enzyme solution, incubate at 27° C. for 180 mins. Transfer 5 ul reaction solution to another 384 assay plate, then add 5 ul ADP-Glo Reagent (Promega) to each well and incubate at 27° C. for 40 mins; Add 10 ul Kinase Detection Reagent (Promega) to each well and incubate at 27° C. for 30 mins. 10 uM CDC7-3 compound was used as 100% inhibition while 100% DMSO control was used as 0% inhibition. Each test has three replications at least.
9339	1	Enzymatic Assay	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog # A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 &#956;g/ml 3×FLAG peptide).
9340	1	Kinase Assay	Radioisotope assays were performed for the evaluation of the kinase target profiling and all assays were performed in a designated radioactive working area. The kinase targets were RSK1, RSK2, RSK3, RSK4 and MK2. The kinase assays (in duplicate) were performed at 30° C. for 15 minutes in a final volume of 25 &#956;L according to the following assay reaction recipe: Component 1: 5 &#956;L of diluted active kinase target (100 ng per reaction) Component 2: 5 &#956;L of peptide substrate (0.5 &#956;g per reaction) (for RSK1, RSK2, RSK3 and RSK4, RSK S6K substrate was used; for MK2, HSP27tide was used) Component 3: 5 &#956;L of kinase assay buffer Component 4: 5 &#956;L of compound described herein (various concentrations: 0, 0.1, 1, 10, 100 or 1000 nM or 1, 3, 10, 30, 100, 300 nM) Component 5: 5 &#956;L of 33P-ATP (5 &#956;M stock solution, 0.8 &#956;Ci; 20 &#956;M final concentration)The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assay was terminated by spotting 10 &#956;L of the reaction mixture onto Multiscreen phosphocellulose P81 plate. The Multiscreen phosphocellulose P81 plate was washed 3 times for approximately 15 minutes each in a 1% phosphoric acid solution. The radioactivity on the P81 plate was counted in the presence of scintillation fluid in a Trilux scintillation counter.
9341	1	Binding Assay	A competition binding assay was used to measure the ability of a compound to compete for binding of an immobilized adenosine triphosphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. The ability of the test compound to compete with the immobilized ligand was measured using quantitative polymerase chain reaction (qPCR) of the DNA tag. A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer SEABLOCK(PIERCE), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SEABLOCK, 0.17× phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% TWEEN 20). The beads were re-suspended in elution buffer (1× phosphate buffered saline, 0.05% TWEEN 20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The VEGFR2 concentration in the eluate was measured using qPCR.
9342	1	TrkA ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit and are provided in Table 1.
9342	2	Inhibition Assay	Jak2: Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 &#956;L. Human Jak2 kinase domain comprising amino acids 808-1132.
9342	3	TrkA and TrkB Omnia Assay	Trk enzymatic selectivity was assessed using Omnia Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) and test compound (various concentrations) were incubated for 10 minutes at ambient temperature in a 384-well white polypropylene plate (Nunc catalog #267462). Omnia Tyr Peptide #4 (for TrkA) or #5 (for TrkB), as well as ATP, were then added to the plate. Final concentrations were as follows: 20 nM enzyme, 500 &#956;M of ATP for TrkA assay or 1 mM ATP for TrkB assay, 10 &#956;M peptide substrate. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The production of phosphorylated peptide was monitored continuously for 70 minutes using a Molecular Devices FlexStation II384 microplate reader (excitation=360 nm; emission=485 nm). Initial rates were calculated from the progress curves. IC50 values were calculated from these rates using either a 4 or 5-parameter logistic curve fit.
9342	4	Inhibition Assay	Jak1: Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 5 nM Jak1 in a total volume of 20 &#956;L. GST-tagged human Jak1 kinase domain comprising amino acids 866-1154.
9342	5	Inhibition Assay	Jak3: Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 1.5 nM Jak3 in a total volume of 20 &#956;L. GST-tagged human Jak3 kinase domain comprising amino acids 781-1124
9342	6	Inhibition Assay	Tyk2: Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 &#956;M ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 20 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus.
9343	1	Inhibitory Activity Assay	BRAF and BRAF V600E: Inhibitory activities Inhibitory activities of compounds against BRAF, and BRAF V600E were measured by Invitrogen using Z&#8242;-LYTE Method as briefly described in the following. 4× Test compounds are dissolved in 1% DMSO. Kinase reaction mixture consists of 0.09-0.34 ng B-Raf (or 0.002-0.006 ng BRAF V600E), 1× inactive MAP2K1 (MEK1)/inactive MAPK1 (ERK2), and 2 &#956;M Ser/Thr 03 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. ATP solutions are diluted to a 4×ATP working concentration in Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). Reaction started by 30-second shaking of mixture consisting of 2.5 &#956;L 4× test compound, 2.5 &#956;L 2× kinase reaction mixture and 2.5 &#956;L 4×ATP Solution on Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #3676). Then the mixture was incubated for 60-minute at room temperature for the kinase reaction, followed by addition of 5 &#956;L of a 1:1024 dilution of development reagent A and 30-second plate shake. The mixture was then incubated for another 60-minute at room temperature for development reaction. Fluorescence was read by plate reader.
9343	2	Inhibitory Activity Assay	KDR (VEGFR2): Inhibitory activities of compounds against KDR (VEGFR2) were also measured by Invitrogen using Z&#8242;-LYTE Method as described above with the following modification. The 2× KDR (VEGFR2)/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.5-11.7 ng KDR (VEGFR2) and 2 &#956;M Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:256 dilution of Development Reagent B is added.
9344	1	Enzymatic Assay	Protein concentration was determined using BCA assay kit. Sixty micrograms of MDCK cell lysate was incubated with various concentrations of a compound described herein from 0.001 &#956;M&#8722;10 &#956;M, respectively, or as indicated in Table 2, in 100 mM Tris buffer (pH 7.5) containing 10 mM MgCl2, 1 mM dithiothreitol, 1 mM EGTA, 2 mM NAD, 100 &#956;M UDP-glucose, 10 &#956;M C6-NBD-Ceramide (Matreya LLC, Pleasant Gap, Pa.), 35 &#956;M dioleoylphosphatidylcholine and 5 &#956;M sulfatide (Sigma) in a final reaction volume of 100 &#956;L at 37° C. for 1 hour. 0.1% DMSO was used as mock treatment or control. The reaction was terminated by adding 100 &#956;L acetonitrile solution and subjected to LC/MS analysis.
9345	1	High-Throughput Assay	In brief, stable U20S reporter cells harboring Per2-dLuc were plated at a density of 30,000 cells/well in Corning 96-well, solid white, flat bottom, TC-treated microplates, and incubated for 48 hours at 37° C. in the presence of 5% CO2 in a medium of Dulbecco&#39;s Modified Eagle Medium (DMEM) supplemented with 10% fetal bovine serum (FBS) and penicillin (100 units/mL)-streptomycin (100 &#956;g/mL). Compounds of formula I are solubilized in dimethylsulfoxide (DMSO), typically at a concentration of 2 mg/mL. DMSO stocks are then serially diluted in DMSO, typically diluting 3-fold for each dilution step. Following the 48 h period, cell culture medium is removed from plated cells and cells are synchronized with 200 L/well of complete cell culture medium (described above), supplemented with 5 M forskolin and 1 mM beetle luciferin. Immediately following synchronization, 1 &#956;L of compound dilution is added to each well.
9346	1	Biological Assay	The activity of EZH2 enzyme (with A677G mutant or Y641F mutant) was tested by the following method.The method was used to determine the inhibitory effect of the compounds of the present invention on the activity of EZH2-A677G mutant or EZH2-Y641F mutant.1. Experimental Materials and Instruments(1). EZH2-A677G (BPS Bioscience)(2). EZH2-Y641F (BPS Bioscience)(3). Histone H3 biotin labeling (AnaSpec)(4). S-adenosyl methionine (abbreviated as SAM, Sigma)(5). Histone H3K27 Me3 monoclonal antibody (Cisbio)(6). Streptavidin-XL665 (Cisbio)(7). HTRF detection buffer (Cisbio)(8). Multi-functional microplate reader (Tecan)2. Experimental ProcedureEZH2-A677G (or EZH2-Y641F) mutant was diluted to a concentration of 15 ng/&#956;l by using a kinase buffer (5× buffer: 5 mg/ml BSA, 150 mM Tris-Cl, 100 mM MgCl2) and added to a 384-well microtiter plate at 2 &#956;l/well. Histone H3 biotin labeling and S-adenosyl methionine were respectively diluted to 50 nM and 50 &#956;M with a kinase buffer, then added to a 384-well plate at 4 &#956;l/well. The test compound was diluted with a kinase buffer (it was diluted from the highest concentration 30 &#956;M in 10 fold concentration gradient to 7 concentration points), then added to the 384-well microtiter plate at 4 &#956;l/well. The plate was incubated at room temperature for 2 hours. Histone H3K27 Me3 monoclonal antibody and Streptavidin-XL665 were diluted to 30 nM and 500 nM by HTRF detection buffer, then added to the 384-well microplate at 10 l/well and incubated for 1 hour. A well without an EZH2 enzyme and a compound was used as a negative control, and a well with an EZH2 enzyme but without a compound was used as a positive control. The fluorescent values were read on a multi-functional microplate reader at a emission wavelength of 620 nM and 665 nM. The compound logarithm concentration vs the inhibition percentage relative to the positive control well was plotted using GraphPad Prism, then the IC50 values were calculated.
9347	1	Inhibitory Activity Assay	human ROMK and rat ROMK: 1. Materials and Instruments    (1) FluxOR potassium ion channel assay (F10016, Invitrogen)    (2) Ouabain (03125-1G, Sigma)    (3) FlexStation3 microplate reader (Molecular Devices)    (4) Human ROMK/HEK293 cell: HEK293 cell line stably expressing the ROMK channel transfected by human ROMK cDNA (NCBI SEQ ID NO. NM-000220.4)    (5) Rat ROMK/HEK293 cell: HEK293 cell line transfected by rat ROMK cDNA (NCBI SEQ ID NO. NM-017023.1) stably expressing the ROMK channel    (6) HEK293 cell line: Cell Bank of Chinese Academy of Sciences, GNHu43    2. Experimental Procedure - Human ROMK/HEK293 cell was seeded on PDL(Poly-D-lysine) coated plates at 20000 cells/well on the previous day; After overnight culture, the plate medium was discarded; then according to the Fluxor Potassium Ion Channel Assay Kit instructions, the dye was added at 100 &#956;L/hole, and then incubated for 90 mins at room temperature; The dye was then decanted and 100 &#956;L of assay buffer containing ouabain (300 &#956;M) and probenecid were added in each well;1 &#956;L of compound or DMSO was added to the corresponding wells, shocked for 30 seconds, and incubated for 30 mins at room temperature; The plates were placed in a FlexStation3 microplate reader, and then added with stimulation buffer (K2SO4:Tl2SO4:1XFluxOR Chloride-free Buffer:ddH2O=3:12:40:125) at 25 &#956;L/well, then the value was read continuously for 5 mins at EX/EM of 490/525 nm immediately; and The IC50 of the present compounds on human ROMK channel was obtained by data processing software Graphpad.
9347	2	Inhibitory Activity Assay	hERG: 1. Materials and Instruments    (1) FluxOR potassium ion channel assay (F10016, invitrogen)    (2) FlexStation3 microplate reader (molecular devices)    (3) hERG/HEK293 cell: HEK293 cell line stably expressing the hERG channel transfected by hERG cDNA (NCBI SEQ ID NO. NM-000238(RC215928, origene)).    2. Experimental Procedure    (1) Human hERG/HEK293 cell was seeded on PDL(Poly-D-lysine) coated plates at 25000 cells/well on the previous day;    (2) After overnight culture, the plate medium was discarded; then according to FluxOR potassium ion channel detection requirements operation, the dye was added at 100 &#956;L/hole, and then incubated for 90 mins at room temperature;    (3) The dye was then decanted and 100 &#956;L of assay buffer containing 100 &#956;L probenecid were added in each well;    (4) 1 &#956;L of compound or DMSO was added to the corresponding wells, shocked for 30 seconds, and incubated for 30 mins at room temperature;    (5) The plates were placed in a FlexStation3 microplate reader, and then added with stimulation buffer (K2SO4:Tl2SO4:1XFluxOR Chloride-free Buffer:ddH2O=2:1:2:5) at 25 &#956;L/well, then the value was read continuously for 5 mins at EX/EM of 490/525nm immediately; and    (6) The IC50 of the present compounds on human hERG ion channel was obtained by data processing software Graphpad.
9348	1	Enzyme Inhibition Assay	Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plates using a Biotek Gen5 microplate reader. Purified NOSs used in this study, rat nNOS, human nNOS, murine macrophage iNOS, bovine eNOS, and human eNOS, are recombinant enzymes, expressed in E. coli and purified by reported procedures.37-39 For rat and human nNOS, bovine and human eNOS, the assays were performed at 37° C. in 100 mM HEPES buffer with 10% glycerol (pH 7.4) in the presence of 10/M L-arginine and tetrahydrobiopterin, 100 &#956;M NADPH, 0.83 mM CaCl2, 320 units/mL of calmodulin, and 3 &#956;M human oxyhemoglobin. For iNOS, the assay was performed at 37° C. in HEPES buffer in the presence of L-arginine and cofactors (NADPH, H4B, and human oxyhemoglobin). For all the assays, NO production was read by monitoring the absorbance at 401 nm, and kinetic readouts were recorded for 6 min. The inhibition constants (K,) for all NOSs were calculated from the IC50 values and Km (human nNOS: 1.6 M; rat nNOS: 1.3 &#956;M; murine iNOS: 8.2 &#956;M; bovine eNOS: 1.7 &#956;M; human eNOS: 3.9 &#956;M)40 using the Cheng-Prusoff equation: Ki=IC50/(1+[S]/Km).41
9349	1	Inhibition Assay	Compounds were added in 5 uL volume to wells in UV transparent 96-well plates ( area well size). The final compound concentrations tested ranged from 0.5 nM to 10 uM). Assays were performed in duplicate. CaMKII&#948; is added to at a final concentration of 16 nM to a mixture containing 100 mM Tris (pH 7.5), 150 mM KCl, 0.27 mM EGTA, 1.3 mM PEP, 0.2 mg/ml AC3, 6.9% (v/v) PK/LDH mixture (Sigma P0294), 0.38 mM NADH and kept on ice. 72 uL of the enzyme mixture was added to the wells containing compounds and the plate was shaken briefly and kept on ice. The assay was initiated by adding 23 uL of a mixture containing 100 mM Tris (pH 7.5), 150 mM KCl, 1.7 mM CaCl2, 48 mM MgCl2, 0.35 mM ATP and 6.7 ug/mL calmodulin. The rate of ADP released was measured as the rate of absorbance decrease at 340 nM at 25° C. 
9350	1	In Vitro JAK kinase Assays	The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fusion proteins using a baculovirus expression system and were purchased from Carna Biosciences. The enzymatic activity was assayed using as substrate a biotinylated peptide, poly (GT)-Biotin (CisBio). The peptide concentration in the reactions was 60 nM for JAK1, 20 nM for JAK2, 140 nM for JAK3 and 50 nM for Tyk2. The degree of phosphorylation was detected by TR-FRET (time-resolved fluorescence energy transfer).IC50s of compounds were measured for each kinase in a reaction mixture containing the enzyme, ATP and the peptide in 8 mM MOPS (pH 7.0), 10 mM MgCl2, 0.05% &#946;-mercaptoethanol, 0.45 mg/ml BSA. The ATP concentration in the reactions was 3 &#956;M for JAK1, 0.2 &#956;M for JAK2, 0.6 &#956;M for JAK3 and 1.8 &#956;M for Tyk2. The enzymatic reactions took place for 30 minutes at room temperature. Then, the reactions were stopped with 20 &#956;L of quench detection buffer (50 mM HEPES, 0.5 M KF, EDTA 0.25 M, 0.1% (w/v) BSA, pH 7.5) containing 0.115 &#956;g/mL of anti-phosphoTyr (PT66)-Cryptate (CisBio) and a variable concentration of SA-XL665 (CisBio) to keep the SA-B ratio constant. Incubate for 3 h and read on Victor 2V spectrofluorometer (Perkin Elmer) set to read fluorescence resonance energy transfer.
9351	1	Inhibition In Vito Assay	The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the compounds according to the invention were tested with administration of 40 mM of potassium chloride in the presence of a voltage-sensitive dye for high-throughput screening of potassium channel from Molecular Devices FLIPR Application Note: Measuring membrane potential using the FLIPR membrane potential assay kit on Fluorometric Imaging Plate Reader (FLIPR) systems. The activity of the test substances was determined as their ability to inhibit a depolarization induced in the recombinant cells by 40 mM potassium chloride.
9352	1	Binding Inhibition Assay	Jurkat cells expressing CXCR4 were washed once with assay buffer (Hanks&#39; balanced salt solution with 20 mM HEPES buffer and 0.2% bovine serum albumin, pH 7.4) and then incubated for 15 min at room temperature with the test compounds diluted in assay buffer at dose-dependent concentrations. Subsequently, CXCL12-AF647 (25 ng/mL) was added to the compound-incubated cells. The cells were incubated for 30 min at room temperature. Thereafter, the cells were washed twice in assay buffer, fixed in 1% paraformaldehyde in PBS, and analyzed on the FL4 channel of a FACSCalibur flow cytometer equipped with a 635-nm red diode lase.
9353	1	Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.
9353	2	Kinase Assay	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.
9354	1	IMAP-FP Assay	Human: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0364 ng/mL (0.833 nM) of phosphorylated active hERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides (2.25 &#956;M-unlabeled peptide and 200 nM-labeled peptide, and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.5 nM hERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 &#956;M ATP. Phosphorylation reactions were allowed to proceed for 60 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
9354	2	IMAP-FP Assay	Mouse: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was determined from a 10 point (1:3 serial dilution, 3 &#956;M starting compound concentration) titration curve using the following outlined procedure. To each well of a black Corning 384-well plate (Corning Catalog #3575), 7.5 nL of compound (3333 fold dilution in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 15 &#956;L of kinase buffer (tween containing kinase buffer, Molecular Devices) containing 0.0133 ng/mL (0.316 nM) of phosphorylated active mERK2 enzyme. Following a 15 minute compound & enzyme incubation, each reaction was initiated by the addition of 10 &#956;L kinase buffer containing 2.45 &#956;M ERK2 IMAP substrate peptides (2.25 &#956;M-unlabeled peptide and 200 nM-labeled peptide, and 75 &#956;M ATP. The final reaction in each well of 25 &#956;L consists of 0.19 nM mERK2, 900 nM unlabeled peptide, 80 nM labeled-peptide, and 30 uM ATP. Phosphorylation reactions were allowed to proceed for 45 minutes and were immediately quenched by the addition of 60 &#956;L IMAP detection beads (1:1000 dilutions) in IMAP binding buffer (Molecular Devices) with 24 mM NaCl. Plates were read on EnVision reader after 60 minutes binding equilibration using Fluorescence Polarization protocol (Perkin Elmer).
9356	1	Enzyme Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).
9355	1	Kinase Assay	 a. 4.5 &#956;L/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The compound (10 mM) was diluted with 100% DMSO 500 times to a concentration of 20 &#956;M, the dilute compound solution was diluted 1:3 in succession in a 384-well dilution plate (3657, corning) to gradient concentrations of 20, 6.67, 2.22, 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, 0 &#956;M; c. 0.5 &#956;L/well of the compound solution (prepared in step b) was added to the 384-well reaction plate (prepared in step a), the plate was centrifuged at 1000 rpm and incubated at 25° C. for 15 minutes; d. 0.5 &#956;L/well of substrate mixture (ATP (10 mM), Acetyl-CoA (2 mM), NaHCO3 (1000 mM)) was transfered into the 384-well reaction plate, the plate was centrifuged at 1000 rpm and incubated at 25° C. for 30 minutes. The compound final gradient concentrations in the reaction system were 1000, 333.3, 111.1, 37.04, 12.35, 4.12, 1.37, 0.46, 0.15, 0.05, 0 nM. The final concentration of DMSO was 5%; the final concentration of ACC1/ACC2 is 1 nM. e. 10 &#956;L/well of ADP-Glo solution was transfered into the 384-well reaction plate, the plate was centrifuged at 1000 rpm and incubated at 25° C. for 40 minutes. f. 20 L/well of kinase detection reagent was transfered into the 384-well reaction plate, the plate was centrifuged at 1000 rpm and incubated at 25° C. for 40 minutes. g. Relative Light Units (RLU) was read on an Envision multifunction plate reader. The signal intensity represents the level of ACC1/ACC2 kinase activity.
8594	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
9357	1	Binding Assay ATR (tracer A)	To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described above. Furthermore, a fluorescently labelled compound (either tracer A as described above) was used as a tracer molecule. Detection of the binding event of the tracer was achieved by time-resolved fluorescence energy transfer (TR-FRET). We used an anti-GST-Terbium antibody (CisBio) that binds to the GST-tag at the N-terminus of ATR-kinase. Excitation of Terbium with 337 nm light results in emission of fluorescent light with 545 nm. In case a tetrameric complex has formed (antiGST-Tb+GST-ATR+Strp2-ATRIP+tracer), part of the energy will be transferred from the Terbium to the fluorophore that itself emits light of 570 nm. Displacement of the fluorescent tracer by a test compound leads to a reduction of the TR-FRET-signal.For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer A in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer A solution (=0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition). Usually the compounds were tested on the same MTP in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM). The dilution series were prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions in duplicate values for each concentration. IC50 values were calculated by a 4 parameter fit using standard software (GraphPad prism or equivalent).
9357	2	Binding Assay ATR (tracer B)	To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described above. Furthermore, a fluorescently labelled compound (either tracer B as described above) was used as a tracer molecule. Detection of the binding event of the tracer was achieved by time-resolved fluorescence energy transfer (TR-FRET). We used an anti-GST-Terbium antibody (CisBio) that binds to the GST-tag at the N-terminus of ATR-kinase. Excitation of Terbium with 337 nm light results in emission of fluorescent light with 545 nm. In case a tetrameric complex has formed (antiGST-Tb+GST-ATR+Strp2-ATRIP+tracer), part of the energy will be transferred from the Terbium to the fluorophore that itself emits light of 570 nm. Displacement of the fluorescent tracer by a test compound leads to a reduction of the TR-FRET-signal.For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer B in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer B solution (=0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition). Usually the compounds were tested on the same MTP in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM). The dilution series were prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions in duplicate values for each concentration. IC50 values were calculated by a 4 parameter fit using standard software (GraphPad prism or equivalent).
9358	1	Evaluation of a Human P2X7 Receptor Inhibitory Activity	Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBank accession number NM_002562.5 including T606C and G952A SNP)) was used. The cells were seeded in a 384-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (10% fetal bovine serum, 25 mM HEPES, 1% penicillin and streptomycin in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. After replacing with 20 &#956;L of the HBSS buffer (20 mM HEPES, 55.6 mM D-glucose, 1×HBSS(&#8722;), pH7.4-7.5), 15 &#956;L of 17.3 &#956;M Yo-Pro solution in the HBSS buffer was added. The plate was placed in high-throughput cellular screening system FLIPR TETRA (Molecullar Devices, LLC.) and 15 &#956;L of 130 &#956;M BzATP solution in the HBSS buffer was added. Measurement of fluorescence intensity by FLIPR TETRA was started. After eight minutes, 15 &#956;L of DMSO solutions containing different concentrations of the compound of the present invention as prepared by dilution with the HBSS buffer were dispensed to each well through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 20 minutes. The maximum fluorescence intensity without the compound of the present invention is calculated as 0% inhibition and the maximum fluorescence intensity when the reference compound was added is calculated as 100% inhibition. Changing values of fluorescence intensity by the compound of the present invention were calculated by difference between maximum and minimum fluorescence intensity for 20 minutes. IC50 was calculated using logistic approximation. 
9359	1	Omnia Assay Protocol for Potency Assessment Against (method a)	For MDA-MB-453 cells signaling, cells were grown in 96-well poly-D-lysine plates (BD Bioscience, San Jose, Calif.) to 90% confluence, and were then incubated in low-serum (0.1% FBS) media for 16-18 hr. The cells were then treated with 5, 1.25, 0.31, 0.078, 0.020 or 0.005 &#956;M of test compound in low-serum (0.1% FBS) media for 1 hr. After treatment, the cells were washed with cold PBS (Invitrogen) and were immediately lysed by freeze/thawing 3×in 32 &#956;L of cold Cell Extraction Buffer (Invitrogen) which was supplemented with Complete Protease inhibitors (Roche, Indianapolis, Ind.) and PhosphoSTOP (Roche) phosphatase inhibitors.The MDA-MB-453 protein concentrations were determined by a BCA Assay (Pierce, Rockford, Ill.). A sample of 50-100 &#956;g of each lysate was separated by a 4-12% gradient (SDS-PAGE (Invitrogen)), transferred to a nitrocellulose membrane (Biorad, Hercules, Calif.), and probed with specific antibodies. Phospho-protein signals were quantitated using Odyssey Infrared Imaging (Li-Cor Biosciences).To assess phospho-FGFR signaling, the blots were probed with anti-Phospho-FGFR (Y653/Y654) and total anti-FGFR antibodies. The phospho-FGFR signal was normalized to total FGFR expression for each sample. The results are indicated as % DMSO control. The normalized data was fitted using a sigmoidal curve analysis program (Graph Pad Prism version 5) with variable Hill slope to determine the EC50 values.Alternatively, a 10× stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 7, was prepared as described below. A solution of 1.4×ATP (AS001A) and 5× Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 &#956;L volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EV0100. A second addition of 10 &#956;l of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 &#956;L of 1.4×ATP. The reactions were monitored every 71 seconds for 240 minutes at &#955;ex360/&#955;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
9359	2	Omnia Assay Protocol for Potency Assessment Against (method b)	MDA-MB-453 and Huh7 cells were grown in 96-well poly-D-lysine plates (BD Bioscience, San Jose, Calif.) to 90% confluence. The cells were then incubated in low-serum (0.1% FBS) media for 16-18 hr. and then treated with 5, 1.67, 0.56, 0.185, 0.068, 0.021 or 0.007 &#956;M of test compound in low-serum (0.1% FBS) media for 1 hr. After treatment, the cells were washed with cold PBS (Invitrogen), and were immediately lysed by freeze/thawing 3× in 32 &#956;L of cold Cell Extraction Buffer (Invitrogen), which was supplemented with Complete Protease inhibitors (Roche) and PhosphoSTOP (Roche) phosphatase inhibitors.MSD plates (Meso Scale Discovery) were coated with total FGFR-4 antibodies overnight at 4° C. A lysate (25 &#956;L) was added to the MSD plate overnight at 4° C. The MSD signals were obtained by incubating with a phospho-FGFR antiobody (R&D Systems) and an anti-rabbit sulfo-tag antibody (Meso Scale), for 2 hr at room temperature. The results are indicated as % DMSO control. The data was fitted using a sigmoidal curve analysis program (Graph Pad Prism version 5) with variable Hill slope to determine the EC50 values.Alternatively, a 10× stock solution of FGFR4-WT (F01-11G), (SignalChem, Richmond, BC) corresponding to method b in Table 7, was prepared as described below. A solution of 1.4×ATP (AS001A) and 5× Tyr-Sox conjugated peptide substrate (KNZ3101) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of FGFR4 was pipetted into a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.), containing a 0.5 &#956;L volume of 100% DMSO. The serially diluted compounds were prepared on a Tecan EV0100. A second addition of 10 &#956;l of Tyr-Sox FGFR4 substrate was added to each well and the kinase reactions were started with the addition of 35 &#956;L of 1.4×ATP. The reactions were monitored every 71 seconds for 240 minutes at &#955;ex360/&#955;em485 in a Synergy plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 60 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (seconds) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response (Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.)).
9360	1	Mt-4 HIV Assay	Compounds were tested in a high-throughput 384-well assay format for their ability to inhibit the replication of HIV-1 (IIIB) in MT-4 cells. Compounds were serially diluted (1:3) in DMSO on 384-well polypropylene plates and further diluted 200-fold into complete RPMI media (10% FBS, 1% P/S) using the Biotek Micro Flow and Agilent ECHO acoustic dispenser. Each plate contained up to 8 test compounds, with negative (No Drug Control) and 5 uM AZT positive controls. MT-4 cells were pre-infected with 10 uL of either RPMI (mock-infected) or a fresh 1:250 dilution of an HIV-1 (IIIB) concentrated virus stock. Infected and uninfected MT-4 cells were further diluted in complete RPMI media and added to each plate using a Micro Flow dispenser. After 5 days incubation in a humidified and temperature controlled incubator (37° C.), Cell Titer Glo (Promega) was added to the assay plates to quantify the amount of luciferase. EC50 and CC50 values were defined as the compound concentration that causes a 50% decrease in luminescence signal, and were calculated using a sigmoidal dose-response model to generate curve fits.
9360	2	MT-4 HIV High Resolution Antiviral Assay	Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates with different starting concentrations for each series and 19 1.5 fold dilutions performed across the plate. This results in an inhibition curve with 40 data points for each compound. Data is analyzed and Hill coefficients determined in Graph Pad Prism (San Diego, Calif.).
9361	1	RET Activity Assay	Preparation of human FXR alpha ligand binding domain: The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand binding domain was cloned into vector pDEST15 (Invitrogen). Expression was under control of an IPTG inducible T7 promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM_005123 (RefSeq). Expression and purification of the FXR-LBD: An overnight preculture of a transformed E. coli strain was diluted 1:20 in LB-Ampicillin medium and grown at 30° C. to an optical density of OD600=0.4-0.6. Gene expression was then induced by addition of 0.5 mM IPTG. Cells were incubated an additional 6 h at 30° C., 180 rpm. Cells were collected by centrifugation (7000×g, 7 min, rt). Per liter of original cell culture, cells were resuspended in 10 mL lysis buffer (50 mM Glucose, 50 mM Tris pH 7.9, 1 mM EDTA and 4 mg/mL lysozyme) and left on ice for 30 min. Cells were then subjected to sonication and cell debris removed via centrifugation (22000×g, 30 min, 4° C.). Per 10 mL of supernatant 0.5 mL prewashed Glutathione 4B sepharose slurry (Qiagen) was added and the suspension kept slowly rotating for 1 h at 4° C. Glutathione 4B sepharose beads were pelleted by centrifugation (2000×g, 15 sec, 4° C.) and washed twice in wash buffer (25 mM Tris, 50 mM KCl, 4 mM MgCl2 and 1M NaCl). The pellet was resuspended in 3 mL elution buffer per liter of original culture (elution buffer: 20 mM Tris, 60 mM KCl, 5 mM MgCl2 and 80 mM glutathione added immediately prior to use as powder). The suspension was left rotating for 15 min at 4° C., the beads pelleted and eluted again with half the volume of elution buffer than the first time. The eluates were pooled and dialysed overnight in 20 mM Hepes buffer (pH 7.5) containing 60 mM KCl, 5 mM MgCl2 as well as 1 mM dithiothreitol and 10% (v/v) glycerol. The protein was analysed by SDS-Page.The method measures the ability of putative ligands to modulate the interaction between the purified bacterial expressed FXR ligand binding domain (LBD) and a synthetic biotinylated peptide based on residues 676-700 of SRC-1 (LCD2, 676-700). The sequence of the peptide used was B-CPSSHSSLTERHKILHRLLQEGSPS-COOH (SEQ ID NO: 1) where the N-terminus was biotinylated (B). The ligand binding domain (LBD) of FXR was expressed as fusion protein with GST in BL-21 cells using the vector pDEST15. Cells were lysed by sonication, and the fusion proteins purified over glutathione sepharose (Pharmacia) according to the manufacturers instructions. For screening of compounds for their influence on the FXR-peptide interaction, the Perkin Elmer LANCE technology was applied. This method relies on the binding dependent energy transfer from a donor to an acceptor fluorophor attached to the binding partner of interest. For ease of handling and reduction of background from compound fluorescence LANCE technology makes use of generic fluorophore labels and time resolved detection Assays were done in a final volume of 25 &#956;L in a 384 well plate, in a Tris-based buffer (20 mM Tris-HCl pH 7.5; 60 mM KCl, 5 mM MgCl2; 35 ng/&#956;L BSA), containing 20-60 ng/well recombinantly expressed FXR-LBD fused to GST, 200-600 nM N-terminally biotinylated peptide, representing SRC1 aminoacids 676-700, 200 ng/well Streptavidin-xlAPC conjugate (Prozyme) and 6-10 ng/well Eu W1024-antiGST (Perkin Elmer). DMSO content of the samples was kept at 1%. After generation of the assay mix and diluting the potentially FXR modulating ligands, the assay was equilibrated for 1 h in the dark at rt in FIA-plates black 384 well (Greiner). The LANCE signal was detected by a Perkin Elmer VICTOR2V Multilabel Counter. The results were visualized by plotting the ratio between the emitted light at 665 and 615 nm. A basal level of FXR-peptide formation is observed in the absence of added ligand.
9361	2	Mammalian One Hybrid (M1H) Assay	The cDNA part encoding the FXR ligand binding domain was cloned into vector pCMV-BD (Stratagene) as a fusion to the yeast GAL4 DNA binding domain under the control of the CMV promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM_005123 (RefSeq). The plasmid pFR-Luc (Stratagene) was used as the reporter plasmid, containing a synthetic promoter with five tandem repeats of the yeast GAL4 binding sites, driving the expression of the Photinus pyralis (American firefly) luciferase gene as the reporter gene. In order to improve experimental accuracy the plasmid pRL-CMV (Promega) was cotransfected. pRL-CMV contains the constitutive CMV promoter, controlling the expression of the Renilla reniformis luciferase. All Gal4 reporter gene assays were done in HEK293 cells (obtained from DSMZ, Braunschweig, Germany) grown in MEM with L-Glutamine and Earle&#39;s BSS supplemented with 10% fetal bovine serum, 0.1 mM nonessential amino acids, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL at 37° C. in 5% CO2. Medium and supplements were obtained from Invitrogen. For the assay, 5×105 cells were plated per well in 96 well plates in 100 &#956;L per well MEM without Phenol Red and L-Glutamine and with Earle&#39;s BSS supplemented with 10% charcoal/dextran treated FBS (HyClone, South Logan, Utah), 0.1 mM nonessential amino acids, 2 mM glutamine, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL, incubated at 37° C. in 5% CO2. The following day the cells were >90% confluence. Medium was removed and cells were transiently transfected using 20 &#956;L per well of an OptiMEM-polyethylene-imine-based transfection-reagent (OptiMEM, Invitrogen; Polyethyleneimine, Aldrich Cat No. 40, 827-7) including the three plasmids described above. MEM with the same composition as used for plating cells was added 2-4 h after addition of transfection mixture. Then compound stocks, prediluted in MEM were added (final vehicle concentration not exceeding 0.1%). Cells were incubated for additional 16 h before firefly and renilla luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282, 158-161). All experiments were done in triplicates.
9362	1	hERG inhibition assays	For hERG inhibition assays, the cells used were HEK293 cells stably transfected with hERG (cell line obtained from Cytocentrics Inc. 3463 Magic Drive San Antonio, Tex. 78229). Composition of External Solution: NaCl, 137 mM; KCl, 4 mM; MgCl2, 1.0 mM; CaCl2, 1.8 mM; HEPES 10 mM; Dextrose 11 mM; Adjusted to a pH of 7.4 with NaOH. Composition of Internal Solution: KCl, 130.0 mM; MgCl2, 1.0 mM; HEPES, 5.0 mM; EGTA, 5.0 mM; NaCl 7.0 mM. Adjusted to a pH of 7.2 using KOH. Test Concentrations: 0.1, 1, 10, 100 &#956;M. Vehicle: DMSO. Experiments were performed at 34+/&#8722;1° C. Current was recorded using the whole-cell patch clamp technique on the Cytopatch automated platform. hERG current was elicited with the following voltage protocol: hERG current amplitude was measured as the peak current at &#8722;50 mV (tail current). The percent blockade of hERG was measured as current reduction after a steady-state effect had been reached in the presence of drug relative to current amplitude before drug was introduced (control). Each cell served as its own control. Data are presented as the IC50 calculated by non-linear regression analysis.
9362	2	Cyp inhibition	For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 &#956;M) and substrate (CYP1A2: Phenacetin at 30 &#956;M; CYP2C9: Diclofenac at 10 &#956;M; CYP2C19: S-Mephenytoin at 35 &#956;M; CYP3A4: Midazolam at 5 &#956;M and Testosterone at 80 &#956;M; CYP2D6: Bufuralol at 10 &#956;M) for the following incubation times: CYP1A2, 2C9, 2D6: 10 minutes, 37° C.; CYP2C19: 45 minutes, 37° C.; CYP3A4: 5 minutes, 37° C. Substrate conversion was measured by liquid chromatography/mass spectrometry/mass spectrometry (LC/MS/MS). Inhibition was calculated by curve fitting in Graph Pad Prism.
9362	3	HDAC Enzyme Assays	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M TCEP) to 6-fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5-fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 &#956;M final concentration were diluted in assay buffer at 6-fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2) and 0.08 ng/ml (HDAC3). The final substrate concentrations used were 16 &#956;M (HDAC1), 10 &#956;M (HDAC2) and 17 &#956;M (HDAC3).Five &#956;l of compounds and 20 &#956;l of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five &#956;l of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated. The IC50 was determined using Graph Pad Prism by a four parameter curve fit.
9363	1	EMSA assay for RPA-DNA inhibition activity	EMSA reactions (20 &#956;L) were performed with 50 nM fl-RPA and 2.5 nM 5&#8242;[32P]-labeled 34-base DNA in buffer containing 20 mM HEPES (pH 7.0), 1 mM DTT, 0.001% NP-40, 100 mM NaCl, 5 mM MgCl2 and 50 &#956;g/ml bovine serum albumin (BSA). Chemical compounds, either purchased from ChemDiv or synthesized in the laboratory, were suspended in DMSO and titrated as detailed in each figure. The DMSO concentration in the reaction mixture was kept constant at or below 5%. RPA was incubated with inhibitor or DMSO control in reaction buffer for 30 minutes before the addition of DNA. Reactions were incubated for 5 minutes at room temperature and products separated via 6% native polyacrylamide gel electrophoresis. The bound and unbound fractions were then quantified by phosphor-imager analysis using ImageQuant software (Molecular Dynamics, CA) and IC50 values calculated by non-linear regression using SigmPlot (Sysat). For EMSA reactions with RPA DBD-A/B, 150 nM DBD-A/B was used and electrophoresis was performed at 4° C. All other conditions were identical to those described for the full length RPA. RPA was incubated with the above compounds at a concentration range of 1-125 &#956;M
9364	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat#3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO: 1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat# D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat# ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
9365	1	MST1/MST2 Biochemical LanthaScreen Eu Kinase Binding Assay	MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. Compounds in 1000×DMSO stock solution was dispensed using automated dispensing system (Labcyte) to 384 well Corning Microplate at 15 nL, 5 uL of Kinase buffer A was added to each well. Plates were shaken and incubated for 1 min to ensure well dissolution of compounds. Kinase/Antibody mixture was added at a final concentration of 5 nM and 2 nM and kinase tracer 222 solution at a final concentration of 100 nM in a total volume of 20 uL. Plates were incubated for 1.5 hrs in dark at room temperature and assay plates were scanned on Envision plate reader with excitation: 340 nM and kinase Tracer Emission at 665 nM.
9366	1	Human LOXL2 CCM Assay	LOXL2 amine oxidase activity was evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media (non BSA-containing) from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;L Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/ml Horseradish Peroxidase) were added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
9367	1	Measurement of Biochemical Activity of Compounds	In order to assess the activity of chemical compounds against the relevant kinase of interest, the Caliper LifeSciences electrophoretic mobility shift technology platform is used. Fluorescently labeled substrate peptide is incubated in the presence of kinase and ATP so that a reflective proportion of the peptide is phosphorylated. At the end of the reaction, the mix of phosphorylated (product) and non-phosphorylated (substrate) peptides are passed through the microfluidic system of the Caliper EZ Reader 2, under an applied potential difference. The presence of the phosphate group on the product peptide provides a difference in mass and charge between those of the substrate peptide, resulting in a separation of the substrate and product pools in the sample. As the pools pass a LEDS within the instrument, these pools are detected and resolved as separate peaks. The ratio between these peaks therefore reflects the activity of the chemical matter at that concentration in that well, under those conditions.
9367	2	RET Wild Type Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) is incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKD DIYFFFG-NH2) and 25 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction is stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate is then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data is normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
9367	3	RET V804L Gatekeeper Mutant Assay at KM	In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) is incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKDDIYFFEG-NH2) and 10 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction is stopped by the addition of 70 &#956;L, of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate is then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data is normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
9368	1	PD-1/PD-L1 & CTLA/CD80 Biochemical Protein-Protein Interaction Assay	Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extracellular domains of PD-1/PD-L1 or CTLA/CD80. Binding of the protein pairs is measured using a bead based Amplified Luminescent Proximity Homogeneous Assay (ALPHA) platform. Binding of each protein pair results in proximity of the donor and acceptor beads which leads to an increase in ALPHA signal. Disruption of the protein-protein interaction with a test compound results in a decrease in ALPHA signal. Assays are performed in 25 mM Hepes (pH 7.4), 150 mM NaCl, 3.4 mM EDTA, 0.005% Tween 20, and 0.01% BSA. Final protein concentration in the assays were 0.3 nM (His tagged PD-L1), 2.5 nM (biotinylated Fc-PD-1), 1 nM (His tagged CTLA4) and 1 nM (biotinylated CD80). After an assay reaction time of 60 minutes at 25° C., binding was measured with addition of 20 &#956;g/mL ALPHA assay acceptor beads (anti-His coated) and 20 &#956;g/mL ALPHA assay donor beads (streptavidin coated). IC50 values were calculated from the fit of the dose-response curves to a four-parameter equation.
9368	2	PD-1/PD-L1 NFA T Reporter Assay	Compounds were tested in a functional co-culture reporter assay in which TCR-mediated NFAT activity is inhibited by the engagement of PD-1 with PD-L1. Blocking the PD-1/PD-L1 interaction impairs PD-1 mediated blunting of TCR signaling and significantly increases NFAT-mediated transcription of luciferase. CHO cells expressing surface-bound anti-CD3 antibodies and PD-L1 (artificial antigen presenting cells, aAPC-PD-L1) were first seeded overnight. Jurkat cells overexpressing PD-1 and expressing a luciferase construct under NFAT control are diluted in RPMI assay medium (RPMI 1640 with 2% FBS), mixed with compounds, and immediately seeded on the monolayer of aAPC-PD-L1. The co-culture is then incubated for 6 hrs at 37° C. Luciferase activity is assessed by adding the ONE-Glo reagent and measuring luminescence with a plate reader. EC50 values are calculated from the fit of the dose-response curves to a four-parameter equation.
9369	1	TrkA ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
9370	1	ULK1 inhibition assay	ULK1 inhibition assay is a screening assay to identify compounds that inhibit kinase activity of ULK1 using the ULKtide peptide. In some embodiments, the method contacting a candidate compound, ULK1 and a recombinant ULKtide peptide (or variant thereof); detecting phosphorylation of the recombinant peptide in the presence and absence of the candidate compound; and identifying a compound that inhibits kinase activity of ULK1 if phosphorylation of the recombinant peptide is decreased in the presence of the candidate compound compared to in the absence of the candidate compound.
9371	1	fluorescence anisotropy assay 	The affinity of Example 1-106 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47, (S rme et al., 2004) and Monovalent interactions of Galectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al., 2010). The assay was also adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity for galectin-3 which made it possible to use a low concentration of galectin-3 (50 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
9372	1	Kinase Activity Assay	On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) containing 0.5% dialysed fetal bovine serum (Invitrogen), 0.1 mM nonessential amino acids (Invitrogen), 1 mM sodium pyruvate (Invitrogen) and antibiotics (100 U/mL penicillin and 100 &#956;g/mL streptomycin (Invitrogen))) and plated at a density of 2.4×104 cells/40 &#956;L/well in a 96-well clear bottom plate (Corning, Catalogue No.: 3882). In some wells were added only the assay medium at 40 &#956;L/well (Cell-free). On the day of the assay, 10 mM of the present compound (DMSO solution) was distributed in a 96-well plate (Costar, Catalogue No.: 3363) and serially diluted with DMSO with the geometrical ratio of 3. The serial dilutions were diluted with the assay medium to 100-fold to prepare a solution of the present compound with a 10-fold concentration (DMSO concentration: 1%). To the plate where cells were plated was added the present compound at 5 &#956;L/well and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 30 minutes. For a control and a blank, the assay medium containing 1% DMSO was added at 5 &#956;L/well in place of the solution of the present compound. Subsequently the assay medium containing NGF (Mouse 2.5s, Natural, Invitrogen) was added to the plate at 5 &#956;L/well (final concentration of NGF: 50 ng/ml) and the plate was incubated in a CO2 incubator with 5% CO2, 95% Air at 37° C. for 5 hours. For the blank group, the assay medium was added in place of NGF at 5 &#956;L/well. A reporter assay detection reagent (10 &#956;L/well) was added to the plate which was then incubated in the dark at room temperature for 120 minutes. The reporter assay detection reagent was prepared from LiveBLAzer -FRET B/G Loading Kit (Invitrogen) On the Analyst GT (Molecular Devices Japan, K.K.) the wells were irradiated with excitation light at 405 nm and the fluorescence intensities at 460 nm and 530 nm were measured.
9373	1	Tritiated Sulfonamide Binding to Membranes	isolated from cells that heterologously express hNav1.7 and the &#946;1 subunit Preparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 times the cell pellet weight with ice cold 50 mM Tris HCl, pH 7.4 buffer. The cell suspensions were homogenized on ice using a motorized glass dounce homogeniser. Homogenates were further diluted 8.4 times with ice cold 50 mM Tris HCl, pH 7.4 buffer and then centrifuged at 200×g at 4° C. for 15 min. The supernatants were collected and centrifuged at 10000×g at 4° C. for 50 min. The pellets were then re-suspended in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 1% v/v protease inhibitors (Calbiochem) and re-homogenized on ice. The homogenized membranes were then processed through a syringe equipped with a 26 gauge needle. Protein concentrations were determined by Bradford Assay and the membranes were stored at &#8722;80° C.Radioligand Binding Studies:Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 &#956;M unlabelled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive Binding Experiments:Binding reactions were preformed in 96-well polypropylene plates at room temperature for 18 h. In 360 &#956;L, membranes were incubated with 100 pM [3H]compound and increasing concentrations of Test Compound. Non-specific binding was defined in the presence of 1 &#956;M unlabelled compound. Reactions were transferred and filtered through 96-well glass fiber/C filter plates presoaked with 0.5% polyethylene imine. The filtered reactions were washed 5 times with 200 &#956;L ice cold buffer containing 0.25% BSA. Bound radioactivity was determined by liquid scintillation counting.Data Analysis: For saturation experiments, non-specific binding was subtracted from total binding to provide specific binding and these values were recalculated in terms of pmol ligand bound per mg protein. Saturation curves were constructed and dissociation constants were calculated using the single site ligand binding model: Beq=(Bmax*X)/(X+Kd), where Beq is the amount of ligand bound at equilibrium, Bmax is the maximum receptor density, Kd is the dissociation constant for the ligand, and X is the free ligand concentration. For competition studies percent inhibition was determined and IC50 values were calculated using a 4 parameter logistic model (% inhibition=(A+((B&#8722;A)/(1+((x/C){circumflex over (&#8195;)}D)))) using XLfit, where A and B are the maximal and minimum inhibition respectively, C is the IC50 concentration and D is the (Hill) slope.
9373	2	Electrophysiological Assay (EP) (In Vitro Assay)	The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.7 and NaV1.5 cDNAs were stably expressed in HEK-293 cells. The &#946;1 subunit was coexpressed in both the NaV1.7 and NaV1.5 cell lines.
9374	1	Receptor Binding Assay	Affinities of various compounds were measured in vitro using competitive radioligand binding assays. Serial dilutions of test compounds were incubated with membranes prepared from CHO-K1 cells expressing the mu opioid receptor (MOR; for opioid receptor binding) or rat forebrain membranes (for NMDA receptor binding). 2 nM [3H] Naloxone (MOR) or 0.2 nM [3H] MK801 (NMDA) were used as the specific, competitive radioligands. 10 uM Naloxone (MOR), or 10 uM MK801 (NMDA) was used to determine non-specific binding. Bound radioactivity was measured using a scintillation counter & IC50 values for test compounds were determined by non-linear regression analysis using a one-site competition model (Graph Pad Prizm). Due to each test compound being solubilized in a buffered system for the assay, the results presented herein reflect the free base activity.
9375	1	Inhibition Assay	IC50 values (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37 C, and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes. at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 20 minutes at room temperature prior to adding agonist. Following this incubation, EC80 concentration of cinnamaldehyde (75 uM for human TRPA1 and 45 uM for rat TRPA1) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.
9376	1	LanthaScreen Assay	To measure FGFR1 kinase activity, 200 pM His-tagged recombinant human FGFR1 catalytic domain (amino acids 308-731) (Life Technologies Cat. No. PR4660A) was incubated with 100 nM Alexa Fluor 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and ATP in the presence of Mg++, along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After 20 minutes incubation at 22° C., an equal volume of 2 nM LanthaScreen Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC is determined using no test compound and 0 POC is determined using no enzyme. The POC values were fit to a 4 parameter logistic curve and the IC50 value is point where the curve crosses 50 POC.To measure FGFR2 kinase activity: 200 pM His-tagged recombinant human FGFR2 cytoplasmic domain (amino acids 403-822), (Life Technologies Cat. No. PR5332A); 20 minutes incubation at 22° C., 60 minute detection incubation at 22° C.To measure FGFR3 kinase activity: 750 pM N-terminal GST-HIS6 fusion protein with a 3C cleavage site recombinant human FGFR3 (amino acids R397-T806) (ProQinase Cat. No. 1068-0000-1); 10 minutes incubation at 22° C., 60 minute detection incubation at 22° C.
9377	1	Biochemical HTRF Enzyme Assay Protocol	The basic assay protocol is as follows: First, 250 nL of diluted compounds in DMSO were dispensed into the wells of a dry 384-well Black plate (GreinerFluotrac catalog number: 781076; Greiner Bio-One GmbH, Frickenhausen, Germany) using a Labcyte Echo 555 acoustic dispenser (Clarcyte, Inc, Sunnyvale, Calif., USA). Subsequent reagent additions employed an Agilent Bravo liquid handling system (Aligent Technologies, Santa Clara, Calif., USA). Next, 18 &#956;L of 1.11× enzyme and 1.11× substrate in 1× assay buffer (Invitrogen kinase buffer catalogue number PV3189(Invitrogen /Life Technologies/ThermoFisher Scientific Inc., Waltham, Mass., USA), 2 mM DTT, 0.05% BSA) were added to the wells and shaken and then preincubated for 30 minutes at ambient temperature to allow compound binding to equilibrate. After equilibration, 2 &#956;L of 10×ATP in 1× assay buffer was added to initiate the kinase reaction and the plates were shaken and then incubated at ambient temperature for 120 minutes. At the end of the incubation, 20 &#956;L of 2× stop buffer (Streptavidin-Dylight 650/100 mL catalogue number: 8454B (Invitrogen /Life Technologies/ThermoFisher Scientific Inc., Waltham, Mass., USA); Europium-tagged pY20 antibody (PerkinElmer catalogue number: AD0067 (PerkinElmer , Waltham, Mass., USA)); EDTA; HEPES; and Triton X-100 (Sigma-Aldrich, St. Louis, Mo., USA) was added to quench the reaction. 
9378	1	Biological Assay	CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.
9378	2	Biological Assay	CDK6/Cyclin D3: The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 4 nM (active sites) activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.
9379	1	Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9380	1	Biochemical Activity Assay	The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 3 nM of each kinase together with 2 uM of a fluorescently labeled substrate peptide specific for each enzyme (Jak1 and Jak3 substrate FITC-Ahx-KKSRGDYMTMQIG-NH2, Jak2 and Tyk2 substrate 5(6)-Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 uM Na3VO4, 10 mM -Glycerolphosphate, specific concentrations of MgCl2 (Jak1 12 mM, Jak2 and Tyk2 9 mM, Jak3 1.5 mM) and 45 uM ATP for 60 min at 30° C. in the presence or absence of compound diluted in DMSO. Kinase reaction were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.
9381	1	Biological Assay	SSAO: All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 46 (2006) 321-331). In addition, secondary- and selectivity assays were performed using SSAO prepared from various tissues or purified rat recombinant SSAO. The enzyme activity was assayed with benzylamine as substrate by measuring either benzaldehyde production, using 14C-labeled substrate, or by utilizing the production of hydrogen peroxide in a horseradish peroxidase (HRP) coupled reaction. Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration &#8804;2%.
9381	2	Inhibition Assay	hERG: Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophysiology. 8 Point concentration-response curves were generated on two occasions using 3-fold serial dilutions from the maximum assay concentration (11 uM). Electrophysiological recordings were made from a Chinese Hamster Lung cell line stably expressing the full length hERG channel. Single cell ion currents were measured in the perforated patch clamp configuration (100 ug/mL amphoterocin) at room temperature using an IonWorks Quattro instrument. The internal solution contained 140 mM KCl, 1 mM MgCl2, 1 mM EGTA and 20 mM HEPES and was buffered to pH 7.3. The external solution contained 138 mM NaCl, 2.7 mM KCl, 0.9 mM CaCl2, 0.5 mM MgCl2, 8 mM Na2HPO4 and 1.5 mM KH2PO4, and was buffered to pH 7.3. Cells were clamped at a holding potential of 70 mV for 30 s and then stepped to +40 mV for 1 s. This was followed by a hyperpolarising step of 1 s to 30 mV to evoke the hERG tail current. 
9382	1	Kinase Activity Assay	All reactions took place in 60 &#956;L volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL bovine serum albumin and 2 mM DTT. Compounds were serially diluted in buffer and 5 &#956;L of each concentration pipetted into a white 384 well plate (Sigma Aldrich M6186). A 5 &#956;L aliquot of the Wee-1 enzyme was added to each well and the plate centrifuged for 1 min to ensure mixing of the enzyme and inhibitor. The plate was incubated at room temperature for 30 minutes before the addition of 2.0 &#956;g/mL of substrate and 30 &#956;M ATP in a 5 &#956;L aliquot. The plate was centrifuged for one minute and incubated for 1 h at RT. 15 &#956;L of ADP-Glo stop reagent was added to each well to quench the reaction and deplete unconverted ATP. The plate was incubated for a further 40 min in the dark at RT. 30 &#956;L of ADP-Glo kinase detection reagent was added to each well, converting ADP to ATP, catalysing the generation of luciferin by luciferase. The plate was shaken for 1 min, and incubated in the dark for an additional hour.
9383	1	Fluorescence Polarisation (FP) Homogeneous Assay	USP7 activity was monitored in a fluorescence polarisation (FP) homogeneous assay using the isopeptide ubiquitin-Lys-TAMRA substrate (U-558, Boston Biochem). Full-length USP7 was purchased from Boston Biochem (His6-USP7FL, E-519). Unless otherwise stated, all other reagents were purchased from Sigma-Aldrich. Enzymatic reactions were conducted in black flat-bottom polystyrene 384-well plates (Nunc) and 15 &#956;L total volume. USP7 (2.5 nM, 5 &#956;L) was incubated in assay buffer (50 mM HEPES (pH 7.2), 150 mM NaCl, 0.5 mM EDTA, 5 mM DTT, 0.05% BSA (w/v), 0.05% CHAPS) in the presence or absence of inhibitor (5 &#956;l). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using a Storage Pod System and serial dilutions were prepared in buffer just prior to the assay (from 200 to 0.1 &#956;M, 8 dp curve). Following incubation at room temperature for 30 min, the enzymatic reactions were initiated by dispensing the Ub substrate (250 nM, 5 &#956;L). FP was measured every 15 min over a period of 1.5 h (within the linear range of the assay) using a Synergy 4 plate reader (BioTek) exciting at 530 nm and measuring the amount of parallel and perpendicular light at 575 nm.
309	1	Inhibitory Activity Assay	This study supports a structure-based approach for GPCR ligand discovery. These new chemotypes may stabilize receptor conformations not explored previously and thereby generate novel biological effects. With a novel chemotype in hand, the docked structure provides a straight-forward strategy for optimization.
311	1	Inhibition Assay	The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their ability to inhibit kinase activity of baculovirus-expressed ALK using a modification of the ELISA protocol reported for trkA. Phosphorylation of the substrate, phopholipase C-gamma (PLC-&#947;) generated as a fusion protein with glutathione-S-transferase (GST) can be detected with europium-labeled anti-phosphotyrosine antibody and measured by time-resolved fluorescence (TRF). In this assay, 96-well plate is coated with 100 &#956;L/well of 10 &#956;g/mL substrate (phospholipase C-&#947; in tris-buffered saline (TBS). The assay mixture (total volume=100 &#956;L/well) consisting of 20 nM HEPES (pH 7.2, 1 &#956;MATP (Km level), 5 nM MnCl2, 0.1% BSA, 2.5% DMSO, and various concentrations of test compound is then added to the assay plate. The reaction is initiated by adding the enzyme (30 ng/mL ALK) and is allowed to proceed at 37 degrees C. for 15 minutes. Detection of the phosphorylated product can be performed by adding 100 &#956;L/well of Eu-N1 labeled PT66 antibody (Perkim Elmer # AD0041). Incubation at 37° C. for one hour, followed by addition of 100 &#956;L enhancement solution (for example Wallac #1244-10).
9384	1	Enzyme Assay	The SAE enzymatic reaction totals 50 &#956;l and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 5 mM MgCl2, 0.5 &#956;M ATP, 250 &#956;M GSH, 0.01 &#956;M Ubc9-GST, 0.125 &#956;M Sumo-Flag and 0.11 nM recombinant human SAE enzyme. The enzymatic reaction mixture, with and without inhibitor, Is incubated at 24° C. for 105 min in a 384-well plate before termination with 25 &#956;M of Stop/Detection buffer (0.1M HEPES Hemisodium pH 7.5, 0.05% Tween20, 20 mM EDTA, 410 mM KF, 0.53 nM Europium-Cryptate labeled monoclonal anti-Flag M2 Antibody (CisBio International) and 8.125 &#956;g/ml PHYCOLINK goat anti-GST allophycocyanin (XL-APC) antibody (Prozyme)). After incubation for 2 hours at 24° C., quantification of FRET is performed on the Pherostar (BMG Labtech). Percentage inhibition values at a single concentration or enzyme inhibition (IC50) values are determined from those curves. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
9385	1	Binding Assay	The binding potencies of sGC compounds to the human recombinant sGC enzyme were determined in a Size Exclusion Chromatography (SEC) competition binding assay using [3H] Compound B as the radioligand. [3H] Compound B was prepared using a standardardized tritium exchange procedure. The parent (non-labeled) molecule was first iodinated then a Pd-catalyzed iodine to tritium exchange provided the labeled compound. Method: The binding buffer was composed of 50 mM triethanolamine pH 7.4, 3 mM MgCl2, 0.025% BSA, 2 mM dithiothreitol (DTT), 300 &#956;M DETA/NO and 400 &#956;M GTP. Assays were conducted in 96-well plates in a total volume of 200 &#956;L. Recombinant human sGC protein (40 ng) was incubated with 1.6 nM [3H] Compound B for 24 h at 37° C. in the presence and absence of various concentrations of sGC testing compounds delivered as DMSO solutions to give a total of 1% organic solvent content. Non-specific binding was defined by competition with 1 &#956;M of Compound B. After the incubation period, the binding mixtures were loaded onto the gel-filtration plate (ThermoFischer Cat. No. 89808) pre-equilibrated with binding buffer and spun at 1000×g for 3 min at 4° C. on a Bench top centrifuge. The collected eluates in White Frame Clear Well Isoplates (Perkin Elmer Cat #6005040) received 100 &#956;l of UltimaGold scintillation cocktail. The sealed plates were shaken vigorously and span, and counted after 6 hs with a Wallac Microbeta TriLux 1450 LSC & Luminescence Counter (Perkin Elmer). Data from competition experiments were analyzed to determine Ki values using one site fit Ki equation.
9386	1	Aequorin-Based Luminescent Assay 	An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65, 582-588, 2004). Chinese hamster ovary (CHO) cells stably expressing photoprotein aequorin and recombinant PKR1 or PKR2 were tested by this method. Briefly, the cells were charged in Opti-MEM (Invitrogen) containing 8 &#956;M of coelenterazine cp at 37° C. for 2 hours. Cells were detached by brief trypsinization and maintained in Hank&#39;s Balanced Salt Solution (HBSS) plus 10 mM HEPES (pH7.5) and 0.1% BSA at about 5×105 cells/ml. Luminescence measurements were made using a Berthold luminometer.All compounds were diluted in HBSS plus 10 mM HEPES (pH7.5) and 0.1% BSA. To test the agonist activity, 100 &#956;l of cells were injected into the tubes with 20 &#956;l of compounds. For antagonist assays, 80 &#956;l cells were incubated in the tubes with 20 &#956;l different concentrations of antagonists at room temperature for 20 minutes, and then 100 &#956;l of recombinant PK2 were injected. The IC50 obtained from the assays were then converted to Ki values using the formula: IC50/(1+[PK2]/EC50PK2).
9387	1	GTP&#947;S Assay	The assay was used to determine the activity of the compounds of the invention.The [35S]GTP&#947;S assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 &#956;g/ml saponin, 30 mM of MgCl2, 10 &#956;M of GDP, 5 &#956;g membrane-expressing hGPR43, 250 &#956;g of wheatgerm agglutinin beads (Amersham, ref: RPNQ001), a range concentration of compounds of the invention (from 30 &#956;M to 1 nM) in a final volume of 100 &#956;l for 30 min at room temperature. The SCFA propionate was used at 1 mM final concentration as positive control. The plates were then centrifuged for 10 minutes at 2000 rpm, incubated for 2 hours at room temperature and counted for 1 min in a scintillation counter (TopCount, PerkinElmer). The results of the tested compounds are reported as the concentration of the compound required to reach 50% (EC50) of the maximum level of the activation induced by these compounds
9387	2	Radioligand Binding Assay	Human GPR43 radioligand binding assay is performed by adding successively in the wells of a 96 well plate (Master Block, Greiner, 786201), 50 ul of compound of the invention at increasing concentrations (diluted in assay buffer: 50 mM Tris pH 7.4), 25 ul radiolabeled antagonist (ie. compound no 277 described in EP10305100.9) diluted in assay buffer and 25 ul cell membrane extracts (10 ug protein/well). The final concentration of radiolabeled antagonist in the assay is 10 nM. The plate is incubated 60 min at 25&deg; C. in a water bath and then filtered over GF/B filters (Perkin Elmer, 6005177, presoaked in 0.05% Brij for 2h at room temperature) with a Filtration unit (Perkin Elmer). The filters are washed 3 times with 0.5 ml of ice-cold wash buffer (50 mM Tris pH 7.4). 50 ul of Microscint 20 (Packard), is added and the plate is incubated 15 min on an orbital shaker and then counted with a TopCount for 1 min/well.
9388	1	[125I]DOI Radioligand Binding Assay	Radioligand binding assays for human 5-HT2A receptor was conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific binding, 10 &#956;M DOI was used for all assays. For competitive binding studies, 0.5 nM [125I]DOI was used and compounds were assayed over a range of 0.01 nM to 10 &#956;M. Assays were conducted in a total volume of 200 &#956;l in 96-well Perkin Elmer GF/C filter plates in assay buffer (50 mM Tris-HCl, pH 7.4, 0.5 mM EDTA, 5 mM MgCl2, and 10 &#956;M pargyline). Assay incubations were performed for 60 min at room temperature and were terminated by rapid filtration under vacuum pressure of the reaction mixture over Whatman GF/C glass fiber filters presoaked in 0.5% PEI using a Brandell cell harvestor. Filters were then washing several times with ice-cold wash buffer (50 mM Tris-HCl, pH 7.4). Plates were then dried at room temperature and counted in a Wallac microBeta scintillation counter.
9389	1	Inhibitory Activity Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
9389	2	Inhibitory Activity Assay	KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
9390	1	Binding Assay	The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of the molecule to bind to the respective receptors. The Ki described in the results is the dissociation constant and measures the affinity of a non-radioactive test compound for the receptor. The IC50 shows the concentration of the substance required for achieving 50% inhibition of the receptors. Kd shows the affinity of the radio ligand to the receptor. Receptor inhibition is measured by the % of inhibition a binding specific control. Recombinant human cells (CHO-derived) and [1251]2-iodomelatonin compound labeling were used followed by incubation and detection at concentration of 0.01-0.05 nM by Scintillation Count, with Kd 0.04 nM and 0.085 nM, respectively. Incubation was performed for 60-120 min at 37° C.
9391	1	Biochemical Assay	Purified hPASK from insect cells (0.02 &#956;g) is added to a 50 &#956;L reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM DTT and 1 g of MBP protein. Inhibitory compounds are then added and the mixture is incubated for 10 min at 25° C. before adding 5 &#956;L of ATP (at desired concentration). The reaction is allowed to proceed at 25° C. for 1 hour before adding 50 &#956;L of Kinase-Glo reagent. The luminescence is measured as soon as 10 minutes after Kinase-Glo reagent is added.
9391	2	Radiochemical Assay	Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is added to freshly prepared Base Reaction Buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and Myelin Basic Protein (20 &#956;M final). Test compounds in DMSO are then added and the mixture, followed by delivery of 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) to initiate the reaction. The kinase reaction is incubated for 120 min at room temperature. The entire reaction mixture is washed through onto a P81 Phosphocellulose paper and washed three times for 10 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
9391	3	FRET Assay	Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO at RT for 1 hour, and then sonicating at 100% output for 8 minutes. If compound is not soluble under this condition, it was diluted to 3 mM. Kinase reaction buffer was prepared containing 10 mM MgCl2, 50 mM HEPES, 1 mM EGTA, 0.01% TWEEN-20, 2 mM DTT. Serial dilutions of the test compounds were prepared at 4× final assay concentrations using Freedom EVO200 dispensing system as follows: 12×10&#8722;5 M, 4×10&#8722;5 M, 1.33×10&#8722;5 M, 4.44×10&#8722;6 M, 1.48×10&#8722;6 M, 4.92×10&#8722;7M, 1.65×10&#8722;7 M, 5.48×10&#8722;7 M, 1.82×10&#8722;8 M, 6.09×10&#8722;9, 2.03×10&#8722;9 M. Test compounds (2.5 &#956;l at 4× the final assay concentration) was added to wells using Freedom EVO200 dispensing system. As a positive control, 2.5 &#956;l of positive compound was added to assay wells, and 2.5 &#956;l of DMSO to assay wells as vehicle control. Kinase solution was prepared in reaction buffer at 2× final assay concentration. Kinase solution (5 &#956;l) was added to each well of the assay plate. The substrate and ATP solution was prepared in kinase reaction buffer at 4× final assay concentration. The kinase reaction was started by adding 2.5 &#956;l of substrate+ATP mix solution to each well of the assay plate. The plate is mixed on a plate shaker; then covered and allowed to react for 2 hours in the dark at 25° C. without shaking. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes in the dark. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FR ET mode (665 nm/615 nm).
9392	1	In Vitro Enzyme Inhibition	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock . Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4×hPK and 2×PFR-AMC, respectively. 60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L, of 4×hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
9393	1	Inhibition In Vitro Assay	 PDE4A, PDE4B, PDE4C, PDE4D, and PDE5 human recombinant proteins are expressed and purified from Saccharomyes cerevisiae that lack endogenous PDEs. The phosphodiesterase enzymes are diluted on ice with enzyme dilution buffer (25 mM Tris, pH 7.5, 0.1 mM DTT, 5.0 mM MgCl2, 100 mM NaCl, 5 &#956;M ZnSO4, 100 &#956;g/mL BSA) to give approximately 20%-40% hydrolysis of cyclic nucleotide monophosphate (cNMP) in the absence of inhibitor. The stock solution of test compounds are diluted on the Beckman BioMek 1000 workstation to span a concentration range of 4.5 log units in 0.5 log increments. The DMSO concentration in the final test system is 2.5% for all PDE enzymes. The final test compound concentration tested ranged from 0.03 nM to 1 &#956;M. The assay is performed in a 96-well microtiter plate format on a Beckman BioMek 1000 robotic station. Each row of the plate represents a 10-point dose response curve containing blank (no enzyme), non-inhibited control, and inhibitor dilutions spanning 4.5 log units in concentration in 0.5 log increments. Assay stock solutions are loaded into the Biomek reservoirs (water, inhibitor diluent [2.5% or 10% DMSO], 5× PDE assay buffer, substrate, inhibitor solutions, enzyme solutions, snake venom nucleotidase, and charcoal suspension). The reaction is initiated with enzyme, and incubated for 15 minutes at 30° C. An excess of Crotalus atrox snake venom nucleotidase (5 &#956;L/well) is then added and the mixture is incubated for an additional 3 minutes. The reaction is terminated by the addition of 200 &#956;L of activated charcoal suspension, after which the plate is centrifuged for 5 minutes at 750×g. A transfer program is run in which 200 &#956;L of supernatant is removed and placed into a new plate. The amount of radioactivity released as phosphate is determined in a Wallac MicroBeta Plate counter.
9394	1	Caliper Assay	The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics technology. The assays are carried out at ATP concentration equivalent to the ATP Km, and at 1 mM ATP. Compounds are serially diluted in DMSO then further diluted in assay buffer (25 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% Triton, 0.5 mM EGTA). 5 ul of diluted compound was added into wells first, then 10 ul of enzyme mix was added into wells, followed by 10 uL of substrate mix (peptide and ATP in 10 mM MgCl2) to start reaction. Reaction was incubated at 28° C. for 25 min and then added 25 ul stop buffer (100 mM HEPES, 0.015% Brij-35, 50 mM EDTA), followed by reading with Caliper. JAK2 at 1 nM final concentration and TYK2 at 9.75 nM are from Carna, and substrates used are ATP at 20 and 16 uM, respectively. JAK2 assay uses peptide 22 and TYK2 uses peptide 30 (Caliper), each at 3 uM.
9395	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9396	2	In Vitro Competitive Activity-Based Protein Profiling Assay	MAGL, ABHD6 and FAAH: Proteomes (mouse brain membrane fraction or cell lysates) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (50 &#956;L-4X) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL, ABHD6 and FAAH using ImageJ 1.43 u software.
9396	1	In Vitro Competitive Activity-Based Protein Profiling Assay	Human: Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or JW912 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L-4X) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49 k software.
9397	1	Enzyme Activity Assay	The intrinsic potency of the compounds may be measured using an enzymatic assay which measures the production of F P. Compounds are prepared in DMSO and tested in a 10-point concentration curve, to create 3-fold serial dilutions of the compounds in a 96-well plate ranging from 20 &#956;M to 1.02 nM. Enzyme is prepared in assay buffer [50 mM 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES), 10 mM potassium chloride, 100 mM magnesium chloride, 2 mM tris(2-carboxyethyl)phosphine (TCEP), 0.01% n-octyl glucoside] and incubated with compounds at RT for 15 min. The reaction is carried out in 100 &#956;L volumes containing substrate concentrations of fructose (250 &#956;M for KHK-C assay and 1.25 mM for KHK-A assay) and ATP (150 &#956;M for both isoforms); which are further incubated at RT for 20 min. The reaction is then halted by the addition of stop buffer; consisting of 0.2% formic acid and 1 &#956;g/ml 13C6-fructose-6-phosphate (13C6-F6P) internal standard. Plates are stored in &#8722;20° C. until RapidFire MS analysis. RapidFire MS Analysis for Quantitation of F1P.
9398	1	Radioligand Displacement Assay	Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicating good oral bioavailability), and brain tissue level was <2% of plasma level, indicating low brain penetrance/peripheral selectivity. 1 h after oral administration of compound 2 at 10 mg/kg dose in mice, the metabolite generation in plasma was monitored by LC-MS/MS. As expected, this compound underwent in vivo metabolism to liberate the amidine moiety and a metabolite (structure 41V in the FIG. 1). Besides CB1R antagonism, both intact compound and its metabolically cleaved amidine moiety were able to inhibit iNOS activity about 48% and 37% at 1 &#956;M concentration in lung homogenates from LPS-treated mouse (FIG. 4). Mice with diet-induced obesity (DIO) mice were orally treated for 14 days with the compound 2 (10 mg/kg/day). 
9399	1	Inhibitory Activity Assay	To confirm whether the compounds according to the present disclosure have an effect of inhibiting 15-PGDH, the NADH, which appears at the wavelength of 340 nm, of Compounds 1 to 105 purified in (1) nm was measured by using fluorescence spectra photometer. That is, the cells were treated with a solution including 50 mM Tris-HCl (pH 7.5), 0.1 mM DTT, 0.25 mM (NAD+), 10 &#956;g of purified 15-PGDH enzyme, 21 &#956;M PGE2. and various concentrations (0.0001 &#956;M to 64 &#956;M) of the derivative compound according to the present disclosure. In this case, the total volume of the solution was 2 ml. Then, the absorbance of the reaction mixture was recorded at the wavelength of 340 nm. To measure the activity of the derivative compounds according to the present disclosure, which is an inhibitor of 15-PGDH, the average value of NADH absorbance at 340 nm at various concentrations was obtained from a standard curve. The results of the 15-PGDH inhibitory activity of the derivative compounds according to the present disclosure are shown in Tables 1 and 2 below. In Tables 1 and 2, IC50 indicates a concentration at which the compound according to the present disclosure inhibits 50% of 15-PGDH activity.
9400	1	Biochemical Assay	The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode. 
9401	1	In Vitro Enzyme Activity	Reagents:Base Reaction Buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOCompound Treatment:The test compound was formulated into a 10 mM stock solution in DMSO, which was diluted into 10 concentrations in 3-fold degression, and placed in a 384-well plate (Cyclic Olefin Copolymer LDV Echo ).Kinase Name: ASK1/MAP3K5 (Invitrogen, Carlsbad, Calif.)Type: Recombinant Human Full Length Protein, GST-taggedFinal concentration of the enzyme: 20 nMSubstrate: Myelin basic protein, MBP (Active Motif, Carlsbad, Calif.)Final concentration of the substrate: 20 &#956;MExperimental Operations:1. The substrate was dissolved in a freshly prepared base reaction buffer.2. A desired coenzyme was added to the above substrate solution.3. The kinase was added to the substrate solution and mixed slowly.4. The solution of the test compound in DMSO was added to the kinase reaction solution and incubated at room temperature for 20 minutes.5. 33P-ATP (specific activity of 10 &#956;Ci/&#956;l) was added to the reaction solution to initiate the reaction.6. Incubated at room temperature for 2 hours.7. A small portion of the reactants was placed onto a P-81 ion exchange filter paper.8. The filter paper was washed three times with 0.75% phosphate buffer to wash off the unbound phosphate, and then the filter paper was dried.9. The radioactivity remaining on the filter paper was determined.10. Kinase activity data was expressed as the ratio of the kinase activity remaining in the test sample to the kinase activity in the vehicle (DMSO).
9402	1	In Vitro Kinase Assay	In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in 25 &#956;L of final volume of reaction buffer (50 mM Hepes, pH 7.5, 150 mM NaCl, 10 mM MgCl2, 5% glycerol, 25 &#956;M ATP, and 10 &#956;Ci of [&#947;-32P]ATP). Each reaction contained 1 &#956;g of RNAP II. Incubation was at 30° C. for 30-45 min. Reactions were terminated by addition of 5 &#956;L of 5×SDS-PAGE sample buffer and incubated at 95° C. for 5 min. Reactions were analyzed by SDS-PAGE, and the dried gel was exposed to film or PhosphorImager plate.
9403	1	Biological Assay	Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DMSO as 4 mM stocks, diluted using an 11-point half-log scheme on a Biomek FX (Beckman Coulter), and incubated at rt for 30 minutes with the reaction mixture containing 50 mM HEPES, pH 7.4, 140 mM KCl, 3.5 mM MgCl2, 0.8 mM fructose, 2 mM TCEP, 0.8 mM PEP, 0.7 mM NADH, 0.01% Triton X-100, 30 U/mL pyruvate kinase-lactate dehydrogenase, and 10 nM purified KHK-C. The compound concentration in each well ranged from 1 nM to 100 &#956;M. The reaction was initiated with the addition of 0.2 mM ATP. The absorbance was measured for 30 minutes on a SpectraMax reader (Molecular Devices) after ATP was added. The concentrations provided are based on the final mixture volume of 40 &#956;L (referred to as the final concentration).
9403	2	Biological Assay	Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a concentration range of 97 pM to 100 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 1 nM KHK-C. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm. 
9403	3	Biological Assay	Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the natural substrates of the KHK enzyme. Assay C was conducted as described above for Assay B except using 8 mM fructose and 2 mM ATP, and compound concentration range of 10 pM to 1 &#956;M or 50 pM to 5 &#956;M using half-log dilution scheme.
9403	4	Biological Assay	Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a final concentration range of 0.25 to 250 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 8 mM fructose and 1 nM KHK-A. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm.
9404	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID NO. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. 
9406	1	In Vitro Assay	Compound 65 and 66 were tested in two in vitro assays, RBP4 binding (SPA) and retinol-dependent RBP4-TTR interaction (HTRF). The compounds binded to RBP4 and antagonized retinol-dependent RBP4-TTR interaction. This activity indicates that the compounds reduce the levels of serum RBP4 and retinol.
9407	1	Inhibitory Activity Assay	To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9408	1	Enzyme Inhibition Assay	Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row 0. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C.
9409	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections. 
9405	1	Inhibition Assay	Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M). The reaction was stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate was washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
9410	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Enzymatic activity of the class I PI3K isoforms in the presence of the compounds of Table 1 above was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay.The TR-FRET assay can monitor formation of the product 3,4,5-inositol triphosphate molecule (PIP3) as it competed with fluorescently labeled PIP3 for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product results in a decrease in TR-FRET signal as the labeled fluorophore is displaced from the GRP-1 protein binding site.The PI3K isoforms were assayed under initial rate conditions in the presence of 10 &#956;M ATP, and compounds were tested in 10-dose IC50 mode starting at a concentration of 0.5 &#956;M. Control compound, PI-103, was tested in 10-dose IC50 with 3-fold serial dilution starting at 10 &#956;m.Data are normalized based on negative (DMSO) control. The alpha, beta, delta, and gamma IC50 values were calculated from the fit of the dose-response curves to a four parameter equation. IC50 are reported in units of nM.
9411	1	3H-Amino Acid Uptake Assays	Live-cell amino acid uptake assays using HEK293 cells were carried out in 96-well plates (CulturPlate-96, Perkin Elmer). 96-well plates were coated with poly-D-lysine prior to the assay. Cells were plated at a density of 35,000 cells per well 24 h prior to carrying out the assay. Each set of conditions was replicated at least three times, technically and biologically. Cells were washed three times with 100 &#956;L of assay buffer (containing 137 mM NaCl, 5.1 mM KCl, 0.77 mM KH2PO4, 0.71 mM MgSO4.7H2O, 1.1 mM CaCl2, 10 mM D-glucose, and 10 mM HEPES) to remove cell media. 3H-amino acid (500 nM) in the same buffer was added concomitantly with V-9302 and allowed to incubate for 15 min at 37° C. For ASCT2-mediated 3H-glutamine uptake assays, 5 mM of the system-L inhibitor 2-amino-2-norbornanecarboxylic acid (BCH) was added and the assay buffer was adjusted to pH 6.0. For selectivity studies, no BCH was added and the assay was conducted at pH 7.4. Following the incubation period, the 3H-glutamine/inhibitor was removed and the cells were washed three times with assay buffer. The cells were then lysed by the addition of 50 &#956;L of 1 M NaOH. For reading, 150 &#956;L of scintillation fluid (Microscint 40, Perkin Elmer) was added and the plates were counted on a scintillation counter (Topcount, Perkin Elmer). Fifty percent inhibitory concentrations (IC50) were calculated using GraphPad Prism version 6 for Mac OS X, GraphPad Software, San Diego Calif. USA, www.graphpad.com.
9412	1	Receptor Binding Assay	NOP:The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM MgCl2. 1 mM EDTA (pH 7.4). The final assay volume (250 &#956;l/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 1 &#956;M unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 60 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]nociceptin-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. 
9412	2	Receptor Binding Assay	MOP: The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co. St. Louis. Mo.). The final assay volume (250 &#956;l/well) included 1 nM of [N-allyl-2.3-3H]naloxone as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 25 &#956;M unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]naloxone-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. 
9413	1	HTRF assay	The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer&#39;s instructions, in 20 &#956;L total volume per well in 384-well plate format (ProxiPlates; PerkinElmer, Fremont, Calif.; catalog #6008280). To each of the experimental wells was transferred 3000 recombinant CHO-K1 cells in 5 &#956;L assay buffer (phosphate buffered saline containing calcium chloride and magnesium chloride (Invitrogen, Carlsbad, Calif.; catalog #14040) supplemented with IBMX (100 g&#956;M) and rolipram (10 g&#956;M) (phosphodiesterase inhibitors; Sigma-Aldrich, St. Louis, Mo.; catalog #15879 and catalog # R6520, respectively) and 0.1% bovine serum albumin (BSA) fraction V (Sigma-Aldrich; catalog # A3059)), followed by test compound in 5 &#956;L assay buffer or 5 &#956;L assay buffer. The plate was then incubated at room temperature for 1 h. To each well was then added 5 &#956;L cAMP-d2 conjugate in lysis buffer and 5 &#956;L Cryptate conjugate in lysis buffer according to the kit manufacturer&#39;s instructions. The plate was then further incubated at room temperature for 1 h, after which the assay plate was read.
9414	1	Recombinant Enzyme Assay - Time Dependence	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH. Enzyme solution was prepared (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 10 ppm antifoam, 4 units/ml GDH, 4 mM adenosine diphosphate, and 4 nM GAC) and 50 &#956;L added to a 96-well half area clear plate (Corning #3695). Compound (2 &#956;L) was added to give a final DMSO concentration of 2% at 2× the desired concentration of compound. The enzyme/compound mix was sealed with sealing foil (USA Scientific) and allowed to incubate, with mild agitation, for 60 minutes at 20° C. Enzymatic reaction was started with the addition of 50 &#956;L of substrate solution (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 20 mM L-glutamine, 2 mM NAD+, and 10 ppm antifoam) and read in a Molecular Devices M5 plate reader at 20° C. The plate reader was configured to read absorbance (&#955;=340 nm) in kinetic mode for 15 minutes. Data was recorded as milli-absorbance units per minute and slopes were compared to a control compound and a DMSO-only control on the same plate. Compounds with slopes less than the DMSO control were considered inhibitors and plate variability was assessed using the control compound.Results from this assay for several compounds are shown in Table 2, expressed as IC50, or half maximal inhibitory concentration, wherein IC50 is a quantitative measure indicating how much compound is needed to inhibit a given biological activity by half.
9414	2	Recombinant Enzyme Assay	Compounds were assessed for their ability to inhibit the enzymatic activity of a recombinant form of Glutaminase 1 (GAC) using a biochemical assay that couples the production of glutamate (liberated by GAC) to glutamate dehydrogenase (GDH) and measuring the change in absorbance for the reduction of NAD+ to NADH. Substrate solution was prepared (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 20 mM L-glutamine, 2 mM NAD+, and 10 ppm antifoam) and 50 &#956;L added to a 96-well half area clear plate (Corning #3695). Compound (2 &#956;L) was added to give a final DMSO concentration of 2% at 2× the desired concentration of compound. Enzymatic reaction was started with the addition of 50 &#956;L of enzyme solution (50 mM Tris-HCl pH 8.0, 0.2 mM EDTA, 150 mM K2HPO4, 0.1 mg/ml BSA, 1 mM DTT, 10 ppm antifoam, 4 units/ml GDH, 4 mM adenosine diphosphate, and 4 nM GAC) and read in a Molecular Devices M5 plate reader at 20° C. The plate reader was configured to read absorbance (&#955;=340 nm) in kinetic mode for 15 minutes. Data was recorded as milli-absorbance units per minute and slopes were compared to a control compound and a DMSO-only control on the same plate. Compounds with slopes less than the DMSO control were considered inhibitors and plate variability was assessed using the control compound.Results from this assay for several compounds of the invention are shown in Table 2, expressed as IC50, or half maximal inhibitory concentration, wherein IC50 is a quantitative measure indicating how much compound is needed to inhibit a given biological activity by half.
9414	3	Modified Recombinant Enzyme Assay	Glutaminase reaction buffer was prepared [50 mM Tris-HCl pH 8.8, 150 mM K2HPO4, 0.25 mM EDTA, 0.1 mg/ml BSA (Calbiochem no. 2960), 1 mM DTT, 2 mM NADP+(Sigma Aldrich no. N5755), and 0.01% TX-100] and used to make 3×-enzyme-containing solution, 3×-substrate-containing solution, and 3×-inhibitor-containing solution (see below) Inhibitor-containing solution was made by diluting DMSO stocks of compounds into the glutaminase reaction buffer to create a 3× inhibitor solution containing 6% DMSO. 3×-enzyme-containing solution was made by diluting recombinant glutaminase and GDH from Proteus species (Sigma Aldrich no. G4387) into glutaminase buffer to create a 6 nM glutaminase plus 18 units/mL GDH solution. A 3× substrate solution containing either Gln, Glu, or NADPH was made by diluting a stock of Gln (Sigma Aldrich no. 49419), Glu (Sigma Aldrich no. 49449), or NADPH (Sigma Aldrich no. N1630) into glutaminase reaction buffer to create a 3×-substrate solution. Reactions were assembled in a 384-well low-volume black microtiter plates (Molecular Devices no. 0200-5202) by mixing 5 &#956;L of inhibitor-containing solution with 5 &#956;L of substrate-containing solution followed by 5 &#956;L of enzyme-containing solution when no preincubation was required. When time-dependent effects of compound inhibition were tested, enzyme-containing solution was treated with inhibitor-containing solution for the indicated time prior to addition of substrate-containing solution.
9415	1	Kinase Assay	For the assay, 11 different concentrations in the range from 20 &#956;M to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of IRAK4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 &#956;M activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG) 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prehinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 &#956;l of assay volume: 1 mM) and peptide substrate (0.83 &#956;M=final concentration in 5 &#956;l assay volume: 0.5 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the IRAK4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 &#956;l of a solution of TR-FRET detection reagents [0.1 &#956;M streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, STK Antibody , catalogue No. 35-002] and 0.6 nM LANCE ELI-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).
9416	1	In Vitro Methyltransferase Activity Assay	Recombinant PRC2 (EZH2-Y641F) was purchased from Active motif company, S-adenosyl-methionine (SAM) and Poly-L-lysine (PLL) were purchased from Sigma-Aldrich company, and H3(1-50)K27me1 peptide was purchased from Cisbio company. The detection system uses LANCEUltra system (Perkinelmer company). In the enzyme activity test, compounds to be tested were diluted by 8 gradient points in a ratio of 1:3, and added into a reaction plate, then 100 ng recombinase was added. And then a buffer [20 mM Tris pH8.5, 2 mM MgCl2, 0.01% Tween-20, 1 mM TCEP] containing 2.5 &#956;M SAM/250 nM H3 (1-50)K27me1 premixtures was added, thus the enzyme reaction was started at room temperature. After reacting for 3 hours, a test solution premixed with PLL, detection antibody and Ulight was added, and reacted for 1h at room temperature, then the fluorescence value was read on a Tecan infinite pro. 
9417	1	In Vitro Activity Assay	Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo assay kit from Promega (V1402). Test compounds (with DMSO as vehicle, 0.5% v/v for SSAO) and the enzyme are incubated for 10 mins at room temperature before the addition of the luminogenic substrate. The substrate concentration is 10 &#956;M for human recombinant SSAO. The assays are conducted in a pH 7.4 buffer (50 mM HEPES, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1.4 mM MgCl2, 0.001% Tween-20) in a well-plate. Oxidation of the substrate is conducted for 2 hrs before the addition of detecting reagent according the manufacture&#39;s protocol. The IC50 value of the tested compounds is calculated by fitting the dose response curve using a 4-parameter non-linear regression routine.
9418	1	Receptor Binding Assay	The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM MgCl2. 1 mM EDTA (pH 7.4). The final assay volume (250 &#956;l/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 1 &#956;M unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA).
9418	2	Receptor Binding Assay	The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co. St. Louis. Mo.). The final assay volume (250 ul/well) included 1 nM of [N-allyl-2.3-3H]naloxone as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 25 uM unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux ??-counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]naloxone-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. (Cheng and Prusoff. 1973).
9419	1	Radioligand Binding Competition Assay	For the adenosine A2A receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, 6005174), presoaked in 0.01% Brij for 2 h at room temperature were used. Filters were washed six times with 0.5 mL of ice-cold washing buffer (50 mM Tris pH 7.4) and 50 &#956;L of Microscint 20 (Packard) was added in each well. The plates were then incubated for 15 min on an orbital shaker and then counted with a TopCount for 1 min/well.Another radioligand binding assay was used to evaluate the binding affinity for the adenosine A2A receptor assay was performed in duplicate in the wells of a 384 plate. Assay buffer contained DPBS 500 mM, MgCl2 0.1 mM, and 1% DMSO. Membrane-bead suspension was prepared by mixing 25.98 &#956;L of human adenosine A2A membrane preparation (Perkin Elmer, RBHA2AM400UA) at 33.4 pg/mL, 28 &#956;L of ADA at 20 pg/mL, and 932 &#956;L of SPA beads at 3.33 mg/mL) and incubated the mixture for 20 min at room temperature. Mixed 20 &#956;L of radiotracer (3H-SCH 58261) at 15 nM to each well containing test articles at various concentrations and centrifuge the plate at 1000 rpm for 1 minute. Added 30 &#956;L of the membrane-bead suspension to each well. Sealed the plates and incubated for 1 hr at room temperature with vigorous mixing on a plate mixer. Plates were read on Microbeta2 (Perkin Elmer, 2450-0010).
9420	1	Enzyme Inhibition Assay	An assay buffer containing GCN2 kinase and (RS)7 was prepared. 4.7 &#956;L of this stock solution was placed per well of a black, low volume, 384-well microtitre plate (e.g. catalogue number 3676, Corning Inc., NY). To this was added 0.65 &#956;M of DMSO containing serial dilutions of the test compound (typical final concentrations of test compound were 0 to 8 &#956;M). The plate was incubated for 10 minutes at 25° C. prior to the addition of 4.7 &#956;L of ATP stock buffer to initiate the enzyme reaction. The reaction was allowed to proceed for 1 hour at 25° C., prior to the addition of 10 &#956;L detection buffer (consisting of appropriate concentrations of ADP2 antibody and ADP Alexa633 tracer in 1× stop and detect buffer as supplied by BellBrook Labs). The reaction was left to incubate for 1 hour at 25° C., prior to measuring the fluorescence polarisation signal (mP) in each well using a PHERAstar FS reader (BMG Labtech, Germany).
9421	1	Binding Assay	Microplates were coated with recombinant human integrin &#945;V&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). The plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
9422	1	Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9423	1	Kinases Assay 	Btk kinase activity was determined using a homogenous time resolved fluorescence (HTRF) methodology. Measurements were performed in a reaction volume of 15 &#956;L using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 &#956;M peptide substrate were incubated in a reaction buffer compose of Hepes50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of E t-labeled antibody and XL-665 in 1×Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (&#955;Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls were used to determine baseline fluorescence levels. IC50s were obtained according to the equation:Y=100/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)).For BTK assay, [ATP]=80 &#956;M, BTK=3.4 nM.For LYN assay, [ATP]=20 &#956;M, LYN=0.12 n M. For LCK assay, [ATP]=20 &#956;M, LCK=0.2 nM. For BLK assay, [ATP]=20 &#956;M, BLK=0.6 n M.
9424	1	Enzymatic Assay	The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, and cofactors are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. At the end of the incubation, the reaction is quenched by the addition of an SDS-containing buffer. Substrate and product are separated and quantified electrophoretically using the microfluidic-based LabChip 3000 Drug Discovery System from Caliper Life Sciences. The peptide substrate used in this assay is FAM-TSRHK(AC)KL-CONH2 (FAM is carboxyfluorescein). Peptide should be >98% purity by Capillary Electrophoresis. 1. To a well of a 384-well plate, add 5 &#956;L of 2× enzyme buffer. Using Labcyte Echo 550, add 100 nl compound. Enzyme and compound may be pre-incubated at this time if desired. 2. Add 5 &#956;L of 2× substrate buffer. 3. Incubate plate at 25° C. for 17 hours. 4. Terminate reaction by adding 40 &#956;L of 1.55× stop buffer. 5. Create job on a Caliper LabChip 3000 Drug Discovery System. 6. Load the plate and start electrophoresis using blue laser (480 nm) for excitation and green CCD (520 nm) for detection (CCD2). Reaction time=17 hours; Reaction temperature=25° C.Final Assay Reaction Mixture100 mM HEPES, pH 7.5 0.1% BSA 0.01% Triton X-100 25 mM KCl1% DMSO (from compound) 1 &#956;M FAM-TSRHK(AC)KL-CONH2 5 nM HDAC Enzyme (specific activity may vary from lot-to-lot, and enzyme concentration may need to be adjusted to yield 10-20% conversion of substrate to product).
9425	1	Binding Assay	The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (LanthaScreen, Thermofisher Cat # PV4833). The purified ligand binding domain of human FXR tagged with GST (glutathiones-S-transferase) is incubated with a terbium labelled anti-GLT antibody and a fluorescein-labelled SRC2-2 peptide (LKEKHKILHRLLQDSSSPV (SEQ ID NO.: 1)). Binding of FXR ligands to the FXR ligand binding domain promotes binding of the fluorescein-labelled SRC2-2 peptide. This causes a FRET signal between the terbium-labelled anti-GST antibody and the fluorescein-labelled SRC peptide which are both bound to the FXR ligand binding domain.Test compounds are dissolved in DMSO and a 3-fold serial dilution series is generated, then further diluted into assay buffer. The compounds are mixed with 5 nM GST-tagged FXR ligand binding domain, 5 nM Tb-labelled anti-GST antibody and 500 nM fluorescein-labelled SRC2-2 peptide in a pH7.4 buffer. The reaction is incubated at room temperature for 1 hour, then the FRET signal is measured as the ratio of the 520 nm/495 nm emission following excitation at 340 nm. The change in FRET signal is plotted against the test article concentration and fit to a 3-parameter logistical equation. 
9426	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2(JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (1×PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.
9427	1	Inhibition Activity Assay	The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, Inc.) by mobility shift assay (MSA) method. The substrate of the kinase reaction was an FITC-labeled SRCtide peptide included in the kit. An assay buffer [20 mM HEPES, 0.01% Triton X-100 (Trade mark), 2 mM dithiothreitol, pH 7.5] was used and adjusted at 4 &#956;M substrate, 20 mM MgCl2 and 200 &#956;m ATP to obtain a substrate mixture solution. The enzyme solution was also prepared by diluting the dephosphorylated BTK to 0.46 nM using the assay buffer. The 10 mM solution of the test compound in DMSO was further diluted with DMSO to 10 levels of the concentration (0.00003 mM, 0.0001 mM, 0.0003 mM, 0.001 mM, 0.003 mM, 0.01 mM, 0.03 mM, 0.1 mM, 0.3 mM, 1 mM), each of which was subjected to a 25-fold dilution with the assay buffer to obtain the drug solutions (4% DMSO solutions). 5 &#956;L of the drug solution or a control solution (4% DMSO-assay buffer), 5 &#956;L of the substrate mixture solution, and 10 &#956;L of the enzyme solution were mixed in the wells of a polypropylene 384-well plate and allowed to react at room temperature for 2 hours, and then quenched by adding 60 &#956;L of the termination buffer included in the kit. Subsequently, the quantities of the substrates (S) and the phosphorylated substrate (P) in the reaction solution were measured using LabChip EZ Reader II system (manufactured by Caliper Life Sciences) according to the protocol of the assay kit.
9428	1	In Vitro Assay for the Inhibition of BTK Kinase Activity	1: Test Principle:Mobility-Shift Assay, which is microfluidic chip technology, applies the basic concept of capillary electrophoresis to microfluidic environments. The substrate used for the experiment is a polypeptide with a fluorescent label. Under the action of enzyme in the reaction system, the substrate is transformed into a product, and the charge the substrate carries also changes accordingly. The use of the charge difference between the substrate and the product involved in Mobility-Shift Assay achieves the separating of the two, and they are tested respectively. The test results are expressed by conversion rates.2: Test Method:(1) preparation of samples to be tested: diluted with 100% DMSO to 50 times the final concentration of the reaction, i.e. 25 &#956;mol/L;(2) dilution: 25 &#956;mol/L is the initial concentration, then diluted with 4 times the concentration and diluted with 10 concentration gradients;(3) 100% DMSO was added to the positive control well and the negative control well, respectively;(4) the prepared compounds with 10 concentrations were diluted 10-fold with 1 xkinase buffer, respectively; wherein, the kinase buffer contained hydroxyethyl piperazine ethanesulfonic acid at a concentration of 50 mmol/L and a pH of 7.5, 0.01% dodecyl polyethylene glycol ether, 10 mmol/L magnesium chloride, 2 mmol/L dithiothreitol;(5) preparation of 2.5×enzyme solution: the kinase was added to 1×kinase buffer to form 2.5×enzyme solution;(6) preparation of 2.5×substrate solution: FAM-labeled polypeptide and ATP were added to the 1 xkinase buffer to form 2.5×substrate solution; (7) addition of the enzyme solution to the 384-well plate: 5 &#956;l of 5×compound dissolved in 10% DMSO contained in the 384-well reaction plate, then 10 &#956;l of 2.5×enzyme solution was added, the obtained system was incubated for 10 minutes at room temperature;(8) addition of the substrate solution to the 384-well plate: 10 &#956;l of 2.5×substrate solution was added to the 384-well reaction plate;(9) kinase reaction and termination: after incubation at 28° C. for 1 hour, 25 &#956;l stop solution was added to terminate the reaction; wherein, the stop solution contained hydroxyethyl piperazine ethanesulfonic acid at a concentration of 100 mmol/L and a pH of 7.5, 0.015% dodecyl polyethylene glycol ether, 0.2% surface reagent No. 3, 20 mmol/L ethylenediaminetetraacetic acid; (10) Caliper data reading: conversion rate data was read from Caliper.
9429	1	Enzymatic DELFIA Assay	Protocol A: To begin the assay, 19 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 0.21 nM Full-length phosphorylated recombinant human IRAK4 (GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 384-well, U-Bottom Plates (Corning Life Sciences). 1 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 20 minutes at room temperature. Then 20 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 100 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) was added to start the reaction. The reaction was incubated for 60 minutes at room temperature and stopped by the addition of 20 &#956;L 0.3M EDTA.50 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (DELFIA streptavidin coated plates, 384-well, white plates, Perkin-Elmer Life Sciences) and incubated for 30 minutes at room temperature. The plates were washed 4× with 75 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody at 0.125 &#956;g/mL (Cell Signaling Technology), plus Anti-Rabbit IgG EuN1 at 0.25 ug/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4× with 50 &#956;L per well of PBS containing 0.05% Tween-20. Then 50 &#956;L per well of DELFIA Enhancement Solution (Perkin-Elmer Life Sciences) were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission wavelength for detection.
9429	2	Enzymatic DELFIA Assay	Protocol B: To begin the assay, 45 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 228 &#956;M phosphorylated recombinant human IRAK4 kinase domain (aa 154-460; GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 96-well, U-Bottom Plates (Corning Life Sciences). 5 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 15 minutes at room temperature. Then 50 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 400 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) were added to start the reaction. The reaction was incubated for 90 minutes at room temperature and stopped by the addition of 25 &#956;L 0.5M EDTA.100 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (EvenCoat Streptavidin Coated Plates, 96-Well, R&D Systems) and incubated for 30 minutes at room temperature. The plates were washed 4 times with 100 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody (Cell Signaling Technology) diluted 1:5000, plus Anti-Rabbit IgG EuN1 at 0.242 &#956;g/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4× with 100 &#956;L per well of PBS containing 0.05% Tween-20. Then 100 &#956;L per well of DELFIA Enhancement Solution were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission detection.
9430	1	PDE4 Assay	The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference Compound. Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggers time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.The results were calculated as the molar concentrations resulting in 50% inhibition of the substrate cleavage compared to controls samples, and are expressed as a range of IC50 (nM).
9431	1	Inhibitory Assay	To a reaction mixture (45 &#956;L) containing 3.0 &#956;mol/L kynurenine, 10 &#956;mol/L pyridoxal phosphate, 2.0 ng/&#956;L human recombinant KAT-II, and 150 mmol/L tris(hydroxymethyl)aminomethane-acetate buffer (pH 8.0) was added a 10% dimethyl sulfoxide solution (5 &#956;L) of each test compound prepared, and the mixture was reacted at 37° C. for 1 hr. After the reaction, 50% trichloroacetic acid (5 &#956;L) was added to terminate the reaction.The resultant kynurenic acid was quantified as follows by high performance liquid chromatography. An enzyme reaction mixture was separated by an octadecylsilane reversed-phase column (SC-50DS, Eicom Corporation; mobile phase: 250 mmol/L zinc acetate, 50 mmol/L sodium acetate, and 5.0% acetonitrile (pH 6.2)) incubated at 30° C., and kynurenic acid was quantified using a fluorescence detector (RF-20Axs, Shimadzu Corporation) at excitation wavelength 354 nm, detection wavelength 460 nm. The analytical curve was drawn every time by an external standard method. Each test compound was tested by dual measurement at each concentration. The kynurenic acid level in the presence of a test compound at each concentration was converted into % relative to kynurenic acid resulting from a reaction with an enzyme alone as 100%, and the obtained values were fitted to S-curve to determine IC50.
9432	1	Inhibition Assay	The enzyme activity of NS5B570-Con1 (Delta-21) was measured as an incorporation of tritiated NMP into acid-insoluble RNA products. The complementary IRES (cIRES) RNA sequence was used as a template, corresponding to 377 nucleotides from the 3&#8242;-end of HCV (&#8722;) strand RNA of the Con-1 strain, with a base content of 21% Ade, 23% Ura, 28% Cyt, and 28% Gua. The cIRES RNA was transcribed in vitro using a T7 transcription kit (Ambion, Inc.) and purified using the Qiagen RNeasy maxi kit. HCV polymerase reactions contained 50 nM NS5B570-Con1, 50 nM cIRES RNA, about 0.5 &#956;LCi tritiated NTP, 1 &#956;M of competing cold NTP, 20 mM NaCl, 40 mM Tris-HCl (pH 8.0), 4 mM dithiothreitol, and 4 mM MgCl2. Standard reactions were incubated for 2 h at 37° C., in the presence of increasing concentration of inhibitor. At the end of the reaction, RNA was precipitated with 10% TCA, and acid-insoluble RNA products were filtered on a size exclusion 96-well plate. After washing of the plate, scintillation liquid was added and radio labeled RNA products were detected according to standard procedures with a Trilux Topcount scintillation counter. The compound concentration at which the enzyme-catalyzed rate was reduced by 50% (IC50) was calculated by fitting the data to a non-linear regression (sigmoidal).
9433	1	Mtb cytochrome bd inhibition assay	The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmacological effects of the cytochrome bd inhibitors of the present invention.Although the pharmacological properties of the cytochrome bd inhibitors described herein vary with structural change, as expected, the cytochrome bd inhibitors of the invention were found to be active in these assays.The cytochrome bd inhibitors of the invention demonstrate a IC50 of 20 &#956;M or less in the Mtb cytochrome bd inhibition assay described herein, with preferred cytochrome bd inhibitors of the invention demonstrating an IC50 of 5 &#956;M or less and the most preferred cytochrome bd inhibitors of the invention demonstrating an IC50 of 1 &#956;M or less.
9434	1	JAK Kinase Assays	Human baculovirus-expressed JAK1, 2, 3 and TYK2 were purchased from Carna Biosciences, Inc. All four purified enzymes contain only the catalytic domain. JAK1 (aa 850-1154) and TYK2 (aa 871-1187) are expressed with an N-terminally fused GST-tag, and JAK2 and JAK3 with an N-terminally fused His-tag.Inhibition of phosphorylation of a synthetic peptide was measured in an HTRF-based assay using the TK substrate-Biotin from the Cisbio HTRFKinEASE TK kit. First, 2 &#956;l of TK solution (TK substrate-biotin in kinase buffer [1× enzymatic buffer from HTRFKinEASE TK kit, 1 mM DTT]) is added to a plate containing 1 &#956;l prediluted compound (final assay concentration DMSO: 0.75%). Then, 5 &#956;l kinase-ATP mix (prepared in kinase buffer) is added to the wells and the plates are incubated at RT for 20-30 min. For all four kinases a concentration of ATP that corresponded to the Km for ATP was used. The final concentrations of buffers, substrate, kinase and ATP were: JAK1: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 10 mM MgCl2, 1 mM DTT, 7 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 5 ng JAK1; JAK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 4 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.1 ng JAK2; JAK3: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 2 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.3 ng JAK3; TYK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 13 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 0.8 ng TYK2. Thereafter, the kinase reaction is stopped by adding 4 &#956;l detection mix (final concentrations: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 0.8 M KF, 20 mM EDTA, 42 nM Streptavidin-XL665 and 1:400 STK Ab Cryptate) and the plates are incubated overnight in the dark. The HTRF signal is read using an Envision plate reader.
9435	1	FLIPR	HEK-G&#945;16 cells stably expressing the human FPR2 receptor was utilized. Cells were plated into 384-well poly-D-lysine coated plates at a density of 18,000 cells per well one day prior to use. The growth media was DMEM medium supplemented with 10% fetal bovine serum (FBS), 1% antibiotic-antimycotic, 50 &#956;g/ml hygromycin, and 400 &#956;g/ml geneticin. On the day of the experiment, the cells were washed twice with Hank&#39;s Balanced Salt Solution supplemented with 20 mM HEPES (HBSS/hepes buffer). The cells were then dye loaded with 2 &#956;M Fluo-4 diluted in the HBSS/Hepes buffer and incubated at 37° C. for 40 minutes. Extracellular dye was removed by washing the cell plates four times prior to placing the plates in the FLIPR (Fluorometric Imaging Plate Reader, Molecular Devices). Ligands were diluted in HBSS/Hepes buffer and prepared in 384-well microplates. Data for Ca+2 responses were obtained in relative fluorescence units.
9436	1	Functional Ca2+ Mobilisation Assay	Ca2+ ions are usually kept at nanomolar levels in the cytosol of cells, and act in a number of signal transduction pathways as second messengers. Many GPCRs including neurotensin receptor couple to induce calcium ion signaling, and many primary cellular assays employ measurement of intracellular calcium ion concentration as a functional readout of GPCR activation. Changes in calcium ion concentration in standard assay protocols can be readily detected with fluorescent dyes that emit light when changes in intracellular Ca2+ ion concentration occur. Given the transient nature of these responses, they are often read with instrumentation that has inject and read capability. This example shows that compounds of the present invention do not have any agonistic activity on NTR1-expressing cells. Furthermore, this example shows that conjugates of the present invention bind to NTR1 and inhibit the activity of an additionally present NTR1 agonist.HT29 or NTR1-expressing HEK293 cells were trypsinized and seeded into black flat clear-bottom 96-well plates (Corning, Amsterdam, The Netherlands) at 6×105 cells per well. After 24 h incubation at 37° C. and 5% CO2, cells were washed twice with wash buffer (130 mM NaCl, 5 mM KCl, 10 mM Hepes, 2 mM CaCl2, 10 mM Glucose, pH 7.4) and loaded with 100 &#956;l of Ca5 dye (Molecular Devices, Biberach, Germany) for 1 h at 37° C. and 5% CO2. For agonist assays, serial dilutions of agonistic substances were added to the cells loaded with dye and the change of the fluorescent signal was recorded continually for approx. 90 s using a FlexStation II (Molecular Devices, Biberach, Germany). Addition of wash buffer served as a control. Thus, EC50 concentrations for each conjugate were computed and provided a measure for the potency of the substance. For antagonist assays, cells loaded with 100 &#956;l of Ca5-dye were pre-incubated with serial dilutions of antagonistic substances for 30 min, before the EC80-concentration of agonist was added to the cells and the change of the fluorescent signal was recorded continually for approx. 90 s. Thus, IC50 concentrations were computed for each conjugate and provided a measure for the inhibitory activity of the conjugates at the NTR1.The intrinsic fluorescence of fluorescein-containing conjugate (19) interfered with the Ca5-dye fluorescence. Therefore, no IC50 or EC50 values could be determined for this conjugate.
9436	2	Radioligand Binding Assay NTR1	In order to determine the binding affinity of compounds comprising a radiolabel for NTR1, a radioligand binding assay was carried out. A radioligand is a radioactive biochemical substance that is used for diagnosis or for research-oriented study of cellular receptor systems of the body. In in vivo systems it is often used to quantify the binding of a test molecule to the binding site of radioligand. The higher the affinity of the molecule, the more radioligand is displaced from the binding site. The amount of bound radioligand can be measured by scintillation counting and thereby quantified. This assay is commonly used to calculate binding constants of molecules to receptors. This example shows that conjugates of the present invention bind to NTR1 with high affinity.The NTR1 radioligand binding assay was performed by Cerep (Celle l&#39;Evescault, France; Catalog reference 0109) according to Vita et al., FEBS Lett., 1993, 317, 139-142. NTR1 was prepared from CHO cells recombinantly expressing the human receptor and incubated with 0.05 nM 125I-(Tyr3-neurotensin) and serial dilutions of the test compounds. After 60 min incubation at 4° C. and washing to remove unbound neurotensin, bound radioactivity was measured by scintillation counting. The result for each test compound is expressed as IC50 concentration and provides a measure for the affinity of the test compound for NTR1.
9437	1	Assay of Inhibition of Escherichia coli RNA Polymerase	Fluorescence-detected RNA polymerase assays with E. coli RNA polymerase were performed by a modification of the procedure of Kuhlman et al., 2004 [Kuhlman, P., Duff, H. & Galant, A. (2004) A fluorescence-based assay for multisubunit DNA-dependent RNA polymerases. Anal. Biochem. 324, 183-190]. Reaction mixtures contained (20 &#956;l): 0-100 nM test compound, 75 nM E. coli RNA polymerase &#963;70 holoenzyme, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 &#956;M ATP, 100 &#956;M GTP, 100 &#956;M UTP, 100 &#956;M CTP, 50 mM Tris-HCl, pH 8.0, 100 mM KCl, 10 mM MgCl2, 1 mM DTT, 10 &#956;g/ml bovine serum albumin, and 5.5% glycerol. Reaction components other than DNA and NTPs were pre-incubated for 10 min at 37° C. Reactions were carried out by addition of DNA and incubation for 5 min at 37° C., followed by addition of NTPs and incubation for 60 min at 37° C. DNA was removed by addition of 1 &#956;l 5 mM CaCl2 and 2 U DNaseI (Ambion, Inc.), followed by incubation for 90 min at 37° C. RNA was quantified by addition of 100 &#956;l RiboGreen RNA Quantitation Reagent (Invitrogen, Inc.; 1:500 dilution in Tris-HCl, pH 8.0, 1 mM EDTA), followed by incubation for 10 min at 25° C., followed by measurement of fluorescence intensity [excitation wavelength=485 nm and emission wavelength=535 nm; QuantaMaster QM1 spectrofluorometer (PTI, Inc.)]. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
9437	2	Assay of Inhibition of Mycobacterium tuberculosis RNA Polymerase	Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 21.1, using reaction mixtures containing (20 &#956;l): 0-100 nM test compound, 75 nM M. tuberculosis RNA polymerase core enzyme, 300 nM M. tuberculosis &#963; A, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 &#956;M ATP, 100 &#956;M GTP, 100 &#956;M UTP, 100 &#956;M CTP, 40 mM Tris-HCl, pH 8.0, 80 mM NaCl, 5 mM MgCl2, 2.5 mM DTT, and 12.7% glycerol. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
9437	3	Assay of Inhibition of Staphylococcus Aureus RNA Polymerase	Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 21.1, using reaction mixtures containing (20 &#956;l): 0-100 nM test compound, 75 nM S. aureus RNA polymerase core enzyme, 300 nM S. aureus &#963; A, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 &#956;M ATP, 100 &#956;M GTP, 100 &#956;M UTP, 100 &#956;M CTP, 40 mM Tris-HCl, pH 8.0, 80 mM NaCl, 5 mM MgCl2, 2.5 mM DTT, and 12.7% glycerol. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
9438	1	Biochemical Assay	Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, or the PARP protein and the test compound are pre-mixed. In a further preferred screening method, the PARP proteins are PARP-1, PARP-2 and PARP-3. The term PARP protein encompasses full-length native proteins as well as fragments thereof. More preferably, R11 is hydrogen or methyl, m is 0 or 1; when m is 1, n is 3 or 6, X&#8242;&#8243; is trifluoroacetate. The 5H-phenanthridin-6-one-derived probe (IP) was selected for its capability of binding to the PARP proteins, both encompassing full-length native proteins and fragments thereof.The polarization signal can be measured, e.g., by a plate reader such as the Saphire2 (Tecan). Data analysis was performed, e.g., by using the Dynafit software. Displacement data were also fitted, e.g., by using Excel spreadsheet (Microsoft Inc. Seattle, USA) to a four parameter logistic model (4PL), or Hill-Slope model. The assay was used to test compounds of the present invention. The displacement ability of the test compounds of formula (I) is in correlation with the compounds affinity for the NAD pocket of the enzyme. Specific probes of formula (IP) used in the assay are: P1. 9-Dimethylamino-11,11-dimethyl-1-(3-{methyl-[(6-oxo-5,6-dihydro-phenanthridin-2-ylcarbamoyl)-methyl]-carbamoyl}-propyl-2,3,4,11-tetrahydro-naphtho[2,3-g]quinolinium trifluoroacetate; P2. 9-Dimethylamino-11,11-dimethyl-1-[3-(3-{[(6-oxo-5,6-dihydro-phenanthridin-2-ylcarbamoyl)-methyl]-amino}-propylcarbamoyl)-propyl])-2,3,4,11-tetrahydro-naphtho[2,3-g]quinolinium trifluoroacetate; P3. 9-Dimethylamino-11,11-dimethyl-1-[3-(6-{[(6-oxo-5,6-dihydro-phenanthridin-2-ylcarbamoyl)-methyl]-amino}-hexylcarbamoyl)-propyl]-2,3,4,11-tetrahydro-naphtho[2,3-g]quinolinium trifluoroacetate.A compound of formula (IP) as defined above can be prepared as described in WO 2010/133647.The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the polarization signal observed upon binding of the probe to PARP-1, -2 and -3. The ability of the probe of formula (IP) to bind full-length PARP-1, -2 and -3 has been previously reported (WO 2010/133647). The assay has been validated as described in WO 2010/133647.
9439	1	Biological Data	Biological activity of compounds according to Formula I is set forth in Table 7 below. CHO-G&#945;16 cells stably expressing FPR2 were cultured in (F12, 10% FBS, 1% PSA, 400 &#956;g/ml geneticin and 50 &#956;g/ml hygromycin). In general, the day before the experiment, 18,000 cells/well were plated in a 384-well clear bottom poly-D-lysine coated plate. The following day the screening compound-induced calcium activity was assayed on the FLIPRTetra. The drug plates were prepared in 384-well microplates using the EP3 and the MultiPROBE robotic liquid handling systems. Compounds were tested at concentrations ranging from 0.61 to 10,000 nM.
9440	1	Cellular In Vitro Assay for Determining Vasopressin V1a Receptor Activity	The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of the activity of the compounds of the invention is carried out using recombinant cell lines. These cell lines originally derive from a hamster&#39;s ovary epithelial cell (Chinese Hamster Ovary, CHO K1, ATCC: American Type Culture Collection, Manassas, Va. 20108, USA). The test cell lines constitutively express the human, rat or dog V1a or V2 receptors. In case of the G&#945;q-coupled V1a receptors, cells are also stably transfected with a modified form of the calcium-sensitive photoproteins aequorin (human and rat V1a) or obelin (dog V1a), which, after reconstitution with the cofactor coelenterazine, emit light when there are increases in free calcium concentrations [Rizzuto R, Simpson A W, Brini M, Pozzan T, Nature 358, 325-327 (1992); Illarionov B A, Bondar V S, Illarionova V A, Vysotski E S, Gene 153 (2), 273-274 (1995)]. The resulting vasopressin receptor cells react to stimulation of the recombinantly expressed V1a receptors by intracellular release of calcium ions, which can be quantified by the resulting photoprotein luminescence. The Gs-coupled V2 receptors are stably transfected into cell lines expressing the gene for firefly luciferase under control of a CRE-responsible promoter. Activation of V2 receptors induces the activation of the CRE-responsive promoter via cAMP increase, thereby inducing the expression of firefly luciferase. The light emitted by photoproteins of V1a cell lines as well as the light emitted by firefly luciferase of V2 cell lines corresponds to the activation or inhibition of the respective vasopressin receptor. The bioluminescence of the cell lines is detected using a suitable luminometer [Milligan G, Marshall F, Rees S, Trends in Pharmacological Sciences 17, 235-237 (1996)].Vasopressin V2 Receptor Cell Lines:On the day before the assay, the cells are plated out in culture medium (DMEM/F12, 2% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates and kept in a cell incubator (96% humidity, 5% v/v CO2, 37° C.). On the day of the assay, test compounds in various concentrations and the agonist [Arg8]-vasopressin at EC50 concentration are added together to the wells, and plates are incubated for 3 hours in a cell incubator. Upon addition of the cell lysis reagent Triton and the substrate luciferin, luminescence of firefly luciferase is measured in a luminometer.
9440	2	Cellular In Vitro Assay for Determining Vasopressin V2 Receptor Activity	The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of the activity of the compounds of the invention is carried out using recombinant cell lines. These cell lines originally derive from a hamster&#39;s ovary epithelial cell (Chinese Hamster Ovary, CHO K1, ATCC: American Type Culture Collection, Manassas, Va. 20108, USA). The test cell lines constitutively express the human, rat or dog V1a or V2 receptors. In case of the G&#945;q-coupled V1a receptors, cells are also stably transfected with a modified form of the calcium-sensitive photoproteins aequorin (human and rat V1a) or obelin (dog V1a), which, after reconstitution with the cofactor coelenterazine, emit light when there are increases in free calcium concentrations [Rizzuto R, Simpson A W, Brini M, Pozzan T, Nature 358, 325-327 (1992); Illarionov B A, Bondar V S, Illarionova V A, Vysotski E S, Gene 153 (2), 273-274 (1995)]. The resulting vasopressin receptor cells react to stimulation of the recombinantly expressed V1a receptors by intracellular release of calcium ions, which can be quantified by the resulting photoprotein luminescence. The Gs-coupled V2 receptors are stably transfected into cell lines expressing the gene for firefly luciferase under control of a CRE-responsible promoter. Activation of V2 receptors induces the activation of the CRE-responsive promoter via cAMP increase, thereby inducing the expression of firefly luciferase. The light emitted by photoproteins of V1a cell lines as well as the light emitted by firefly luciferase of V2 cell lines corresponds to the activation or inhibition of the respective vasopressin receptor. The bioluminescence of the cell lines is detected using a suitable luminometer [Milligan G, Marshall F, Rees S, Trends in Pharmacological Sciences 17, 235-237 (1996)].Vasopressin V1a Receptor Cell Lines:On the day before the assay, the cells are plated out in culture medium (DMEM/F12, 2% FCS, 2 mM glutamine, 10 mM HEPES, 5 &#956;g/ml coelenterazine) in 384-well microtiter plates and kept in a cell incubator (96% humidity, 5% v/v CO2, 37° C.). On the day of the assay, test compounds in various concentrations are placed for 10 minutes in the wells of the microtiter plate before the agonist [Arg8]-vasopressin at EC50 concentration is added. The resulting light signal is measured immediately in the luminometer.
9441	1	Evaluation of Compounds as Inhibitors of GABA-AT	Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a coupled assay with the enzyme succinic semialdehyde dehydrogenase (SSDH). The assay solution consisted of 10 mM GABA, 5 mM &#945; ketoglutarate, 1 mM NADP+, 5 mM &#946;-mercaptoethanol, and excess SSDH in 50 mM potassium pyrophosphate buffer, pH 8.5. Enzyme activity was determined by observing the change in absorbance at 340 nm at 25° C. IC50 values were obtained using non-linear regression in GraphPad Prism5 software. Subsequent K1 values were determined using the Cheng-Prusoff relationship. (Yung-Chi, C.; Prusoff, W. H. Biochem. Pharmacol. 1973, 22, 3099-3108.)
9442	1	Evaluation of Agonistic Activity for Human 5-HT1A Receptor and Human D4 Receptor	Aequorin, G&#945;16 proteins, and each receptor were transiently expressed in CHO-K1 cell (Chinese hamster ovary), and seeded to 384-well plate. The plate was incubated in a CO2 incubator at 37° C. for 24 hours. Each example compound dissolved in DMSO was added thereto, and the change of luminescence amount was measured with Hamamatsu FDSS/&#956;CELL System (Hamamatsu Photonics). As for the agonistic activity, the maximum activity (Emax) of each compound was calculated on the assumption that the luminescence amount of the well without the compound is 0% and the luminescence amount of the well containing 10 &#956;mol/L endogenous ligand is 100%.
9442	2	Evaluation of Binding Activity to Human 5-HT1A Receptor, Human D4 Receptor, and Human D2 Receptor 	The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned below.CHO cell membrane fraction in which human 5-HT1A receptor, human D4 receptor, and human D2 receptor were expressed was purchased from PerkinElmer Co., Ltd. In the evaluation test of binding, the test compound dissolved in DMSO, each receptor membrane preparation diluted with buffer solution, and [3H] 8-OH-DPAT (for 5-HT1A receptor), [3H] dopamine (for D4 receptor), or [3H] spiperone (for D2 receptor) (all were obtained from PerkinElmer Co., Ltd.) were mixed, and each mixture was incubated at room temperature for 30 or 60 minutes. The nonspecific binding to each receptor was evaluated by a competition binding experiment in the presence of 10 &#956;mol/L 8-OH-DPAT, 10 &#956;mol/L dopamine, or 10 &#956;mol/L spiperone, respectively. The radioactivity of each receptor-binding sample was measured with a liquid scintillation counter (PerkinElmer Co., Ltd.), the 50% inhibitory concentration was calculated, and Ki value was evaluated based on the dissociation constant and the substrate concentration calculated in the saturated bond test, which was used as binding affinity.
9442	3	Evaluation of Activity for Inhibiting hERG Channel 	The activity of the present compound for inhibiting hERG channel was measured by whole-cell patch clamp method with auto patch clamp system, using CHO cell wherein hERG channel involved in human rapidly activating delayed rectifier potassium current (IKr) was forcibly expressed.(Preparation of Cell Suspension)hERG-CHO cell purchased from ChanTest was incubated at 37° C. in a CO2 incubator, and the cell was exfoliated from the flask with trypsin to prepare a cell suspension, shortly before the hERG current measurement.(Preparation of Solution)The extracellular fluid and intracellular fluid which were used in the measurement were prepared as follows.Extracellular fluid: 2 mmol/L CaCl2, 1 mmol/L MgCl2, 10 mmol/L HEPES, 4 mmol/L KCl, 145 mmol/L NaCl, 10 mmol/L glucoseIntracellular fluid: 5.4 mmol/L CaCl2, 1.8 mmol/L MgCl2, 10 mmol/L HEPES, 31 mmol/L KOH, 10 mmol/L EGTA, 120 mmol/L KCl, 4 mmol/L Na2-ATPTest compound solution: The test compound was dissolved in DMSO by adjusting the concentration to 2 mmol/L or 20 mmol/L to prepare each test compound solution. Further, the test compound solution was diluted with the extracellular fluid by 200-fold, which was serially diluted with the extracellular fluid to prepare each concentration of the test compound solution which is used to calculate IC50 value of hERG inhibition. 
9443	1	High Throughput Screening Assay	This screening assay measures TRPC6 (transient receptor potential cation channel, subfamily C, member 6) ion channel activation via addition either of the commercially available DAG ligand analogue OAG (1-oleoyl-2-acetyl-sn-glycerol) or of the TRPC6 agonist 1-[1-(4,5,6,7,8-pentahydrocyclohepta[2,1-d]thiophen-2-ylcarbonyl)-4-piperidyl]-3-hydrobenzimidazol-2-one (GSK1702934A). The assay utilizes a FLIPR fluorescent calcium sensor 4-(6-Acetoxymethoxy-2,7-difluoro-3-oxo-9-xanthenyl)-4&#8242;-methyl-2,2&#8242;-(ethylenedioxy)dianiline-N,N,N&#8242;,N&#8242;-tetraacetic acid tetrakis(acetoxymethyl) ester (Fluo4/AM) membrane potential (FMP) dye from Molecular Devices, which is a voltage sensitive indicator with a fluorescent quencher. Changes (increases) in intracellular membrane calcium concentration potential as measured by the fluorescent signal increase during membrane depolarization provide a measurement of channel activity.The commercially available HEK293/TREx line (Invitrogen) was stably transfected with a TRPC6 construct and screened by conventional calcium imaging to find clones with TRPC6 expression following stimulation with 1 &#956;g/ml tetracycline. These cells were maintained in the growth medium recommended by the manufacturer supplemented with 100 &#956;g/ml hygromycin to promote retention of the TRPC6 construct. After growing to near confluency, cells were plated at a density of 35,000 cells/well in 384 well CellBind plates (Corning) in the presence of 1 &#956;g/ml tetracycline, and allowed to grow for 20-30 hrs. A nearly confluent monolayer resulted. Growth media was removed from the wells and cells were then loaded with 25 mL Fluo4/AM diluted in Ringer&#39;s Solution (6.5 g NaCl, 0.42 g KCl, 0.25 g CaCl2) and 0.2 g of sodium bicarbonate; pH 7.4) supplemented with 1% Pluronic F-127 to a final concentration of 0.5 &#956;M and incubated for 60 min, at room temperature. Dye solution was then removed from the cells by inverting plates with a sharp flick, and replaced with 25 &#956;l Ringer&#39;s. Following 0.5 hour for recovery from loading, cells were assayed using the Hamamatsu FDSS 6000 system, which permitted illumination at 485 nm. Frames were acquired at a rate of 0.2 Hz. During the assay, the plates were continuously vortexed, with pipette mixing of wells following addition of each reagent. For the screening assay, 26 &#956;l of a diluted compound stock (at 50 &#956;M) was added to each well for 2 minutes following the collection of a short (4 frame) baseline. 13 &#956;l of agonist solution consisting of 125 nM GSK1702934A diluted in high-Ca2+Ringer solution (containing 90 mm Ca2+) was then added to each well, achieving a final concentration of 20 mm Ca2+ and 10 &#956;M test compound. Data was collected for 3 minutes following addition of high Ca2+Ringer. The fluorescent ratio for each well was divided by the initial fluorescent intensity for that well and the overall response was determined by averaging the fluorescent ratio of the last 4 frames acquired during the experiment excepting the final frame. Negative and Positive controls were included on each plate. Negative controls wells consisted of HEK293/TREx TRPC6 cells exposed to assay buffer and agonist solution, but no test compound. Positive control consisted of wells consisted of HEK293/TREx TRPC6 cells exposed to 25 &#956;M 3-[(2-chlorophenoxy)methyl]phenyl piperidyl ketone (Chembridge) diluted in Ringer&#39;s solution and agonist solution. These controls defined zero percent and 100 percent block respectively, and intensity of each well was normalized to these values.IC50s were determined using the above fluorescence method with the exception that instead of testing the compounds at 10 &#956;M, compounds were tested at final concentrations of 20 &#956;M, 6.667 &#956;M, 2.222 &#956;M, 0.741 &#956;M, 0.247 &#956;M, 0.082 &#956;M, and 0.027 &#956;M. Compounds were tested in triplicate at all concentrations. Standard software was used to fit IC50 curves.
9444	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
9445	1	Human c-fms Protein Kinase Assay	c-fms(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKSPGEYVNIEFG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
9445	3	Human, Dog and Rat c-Fms Enzyme Assay	Materials:Human c-fms protein (N-terminal 6His-tagged, amino acids 538-972), dog c-fms protein (N-terminal 6His-tagged, amino acids 535-967) and rat c-fms protein (N-terminal 6His-tagged, amino acids 536-978) were purified in-house using a HisTrap column. The Antibody Beacon tyrosine kinase assay kit was purchased from Life Technologies. The c-fms peptide substrate, SYEGNSYTFIDPTQ, and the phosphorylated product, SYEGNSpYTFIDPTQ, were obtained from American Peptide Company. Non-binding surface (NBS) 384-well plates were obtained from Corning.c-fms Enzyme Assay Procedure:In this assay, recombinant human, dog or rat c-fms catalyzed the phosphorylation of the FMS peptide substrate, SYEGNSYTFIDPTQ, with the phosphorylated product detected by a fluorescence immunoassay. The c-fms assay buffer consisted of 25 mM HEPES, pH 7.0, 5 mM MgCl2, 1 mM DTT and 0.01% Brj-35. 5 &#956;l of 3× of the test compound(s) in assay buffer containing 1% DMSO were added to the wells of a 384-well NBS plate, at concentrations of 1 &#956;M down to 0.00002 &#956;M (applying a 1:3 dilution scheme). c-fms activity was assayed in the presence of 300 &#956;M SYEGNSYTFIDPTQ, 1 mM ATP and human, dog or rat c-fms in a total volume of 15 &#956;l. The reaction was initiated with ATP. The assay plates were sealed with aluminum sealing tape and incubated at room temperature for 2 h. At the end of the incubation, 5 &#956;l of 4× detection reagent were added to each well (Antibody Beacon tyrosine kinase assay kit; the 4× detection reagent consisted of 100 nM Oregon Green 488 ligand and 200 nM anti-phosphotyrosine antibody and was prepared just prior to use). The plates were centrifuged at 1000×g for 1 min. Fluorescence was measured after 10 min on a Safire II reader at excitation/emission of 492/517 nm. RFU values were converted to micromolar phosphopeptide using a SYEGNSpYTFIDPTQ standard curve. IC50 values were calculated using GraphPad Prism 5.
9446	1	Biological Activity Assay	Experimental Method:PathHunter CHO-K1 CRTH2 &#946;-arrestin cells (DiscoverX, catalogue number 93-0291C2) grew under standard conditions, and were inoculated into a white-wall 384-well microplate at a density of 5,000 cells/well. 20 &#956;L of Cell Plating Reagent 1 was used in each well. Before the test, the cells were incubated overnight at 37° C./5% CO2. A test compound was serially diluted in DMSO with a dilution factor of 3-fold to give 8 concentrations of the test compound. Shortly before the test, the serially diluted test compound was further diluted with the test buffer to 5 times of the test concentration. 5 &#956;L of the further diluted test compound was added to the cells, and the cells were incubated for 30 min at 37° C. The concentration of the solvent was 1%. 5 &#956;L of 6×EC80 agonist (PGD2) buffer was added to the cells, and the cells were incubated for 90 min at 37° C. Measured signals were generated by one-time addition of 15 &#956;L (50% v/v) of PathHunter detection mixture reagent and subsequent one-hour incubation. The microplate was read through the chemiluminescent signals of PerkinElmer Envision reader. Biological activity of the test compound was analyzed by CBIS data analysis suite (ChemInnovation, CA), and was denoted as IC50 value.
9447	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid Hormone Receptor Agonist Screening	LanthaScreen TR-FRET Thyroid Receptor alpha Coactivator Assay kit (ThermoFisher) and LanthaScreen TR-FRET Thyroid Receptor beta Coactivator Assay kit (ThermoFisher) were used for agonist compound screening. Compounds in DMSO were diluted using ECHO Liquid Handler (Labcyte Inc.) into 384 plates in 10-point 3-fold series in duplicate (5 micro M final top concentration). Buffer C (ThermoFisher) was added to each well before the 4× mixture of fluorescein-SCR2-2 coactivator (200 nM final concentration), Terbium-labeled anti-GST antibody (2 nM final concentration), and TR alpha-LBD (0.4 nM final concentration) or TR beta-LBD (1.0 nM final concentration) was added. After 2 hour incubation at room temperature in dark, the TR-FRET signal was measured on an EnVision plate reader (PerkinElmer) with excitation at 340 nm and dual emission readout at 495 and 520 nm with the delay time of 100 micro second and the integration time of 200 micro second. The ratio of emission signal at 520 and at 495 was used to calculate EC50 using GraphPad Prism (GraphPad Software). In every batch of compound screening, T3 (L-3,3&#8242;,5-Triiodothyronine sodium salt, >95%) (Calbiochem) was used as reference compound. The EC50 of T3 measured were within 3-fold of the reference value provided by the assay kit manufacturer (ThermoFisher Scientific). The Z&#8242; factors measured in every batch of screening using T3 as high percent effect (HPE) control and 0.5% DMSO as zero percent effect (ZPE) control were in the range of 0.5 to 0.8. Compounds&#39; THR-beta selectivity values are derived from T3-selectivity normalized data.
9448	1	TBD	TBD
9449	1	ATR/ATRIP Enzymatic Assay 	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog # A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 m/ml 3×FLAG peptide).The ability of new chemical matter to inhibit the ATR catalytic activity in this ATR/ATRIP complex was assessed using a Caliper-based assay. A 2× enzyme solution (i.e., 4 nM enzyme) was prepared using 1× Kinase Reaction Buffer (25 mM HEPES pH 8, 0.0055% Brij-35, 10 mM MnCl2, and 1 mM DTT). A 2× peptide solution was then prepared consisting of 10 uM FAM-labeled RAD17 peptide (GL Biochem, catalog #524315) in 1× Kinase Reaction Buffer supplemented with 2 &#956;M ATP. 10 &#956;L of the 2× enzyme solution was transferred to an assay plate containing 60 nL of test compound (from a 3× serial dilution) in 100% DMSO. Following a 30 minute incubation at 28° C., 10 &#956;L of the 2× peptide solution was then transferred to the same assay plate. The reaction was allowed to incubate at 28° C. for 6 hours. After adding 30 &#956;L of stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating-3 Reagent (PerkinElmer, catalog # PN760050), and 50 mM EDTA), data were collected on a Caliper instrument. Conversion values were converted to inhibition values via the following equation: % inhibition=(max&#8722;conversion)/(max&#8722;min)*100, whereby max corresponds to the DMSO control and min corresponds to the low control. IC50 values were calculated using the following equation in XLFit: Y=Bottom+(Top-Bottom)/1+(IC50/X){circumflex over (&#8195;)}HillSlope).
9449	2	pCHK1 Cellular Assay	Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the addition of 4-nitroquinoline N-oxide, a chemical used to induce DNA damage. Cellular IC50 for the inhibitors of ATR described herein were measured in HT-29 colorectal adenocarcinoma cells. HT-29 cells were routinely maintained in McCoy&#39;s 5A media (ATCC Catalog #30-2007) supplemented with 10% fetal bovine serum (Sigma Catalog # F2442) and 1&#955; Penicillin-Streptomycin (Gibco Catalog #15140-122) using a humidified incubator (37° C., 5% CO2, and ambient O2). In preparation for the CHK1 (p-Ser345) ALPHASCREEN SUREFIRE assay, cells were harvested and resuspended in McCoy&#39;s 5A media supplemented with 10% fetal bovine serum and 1× Penicillin-Streptomycin. Cells were seeded onto a 384-well black CELLSTAR Tissue Culture Plate (VWR Catalog #89085-314) at a density of 13,000 cells/well in a volume of 40 &#956;L. The microplate was incubated overnight (approximately 20 hours) at 37° C. with 5% CO2 and ambient O2. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog # D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:33 in culture medium, and 10 &#956;L/well were transferred to the tissue culture plate. Following the compound addition the microplate was incubated at 37° C. for 90 minutes. 10 &#956;L of 4-nitroquinoline N-oxide (Sigma Aldrich Catalog # N8141-1G) diluted in media (final concentration 12 uM) were added to the tissue culture plate followed by a 120 minute incubation at 37° C. The cells were then washed with PBS and lysed using 10 &#956;L/well SUREFIRE Kit lysis buffer diluted to 1× in water (PerkinElmer Catalog # TGRCHK1S50K), with mixing on an orbital shaker at 500 rpm for 20 min at RT. Lysates were frozen at &#8722;20° C. overnight.4 &#956;L/well of lysate was then transferred from the tissue culture plate to a 384-well, white, low volume, PROXIPLATE (PerkinElmer Catalog #600828). 5 &#956;L/well of the acceptor bead solution, prepared by diluting SUREFIRE Kit activation buffer (PerkinElmer Catalog # TGRCHK1S50K) and ALPHASCREEN Protein A acceptor beads (PerkinElmer Catalog #6760617R) in SUREFIRE Kit reaction buffer (PerkinElmer Catalog # TGRCHK1S50K), were added to the lysates under subdued light and incubated at room temperature for 120 min. 2 uL/well of the donor bead solution, prepared by diluting ALPHASCREEN Streptavidin donor beads (PerkinElmer Catalog #6760617R) in SUREFIRE Kit dilution buffer (PerkinElmer Catalog # TGRCHK1S50K), were added under subdued light and incubated at room temperature for an addition 120 minutes. The pCHK1 ALPHASCREEN signal was measured using an ENVISION plate reader (PerkinElmer). IC50 values were calculated using a four-parameter logistic curve fit using Genedata Screener software.
9450	1	pCHK1 Cellular Assay	Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the addition of 4-nitroquinoline N-oxide, a chemical used to induce DNA damage. Cellular IC50 for the inhibitors of ATR described herein were measured in HT-29 colorectal adenocarcinoma cells. HT-29 cells were routinely maintained in McCoy&#39;s 5A media (ATCC Catalog #30-2007) supplemented with 10% fetal bovine serum (Sigma Catalog # F2442) and 1× Penicillin-Streptomycin (Gibco Catalog #15140-122) using a humidified incubator (37° C., 5% CO2, and ambient 02).In preparation for the CHK1 (p-Ser345) ALPHASCREEN SUREFIRE assay, cells were harvested and resuspended in McCoy&#39;s 5A media supplemented with 10% fetal bovine serum and 1× Penicillin-Streptomycin. Cells were seeded onto a 384-well black CELLSTAR Tissue Culture Plate (VWR Catalog #89085-314) at a density of 13,000 cells/well in a volume of 40 uL. The microplate was incubated overnight (approximately 20 hours) at 37° C. with 5% CO2 and ambient 02. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog # D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:33 in culture medium, and 10 ul/well were transferred to the tissue culture plate. Following the compound addition the microplate was incubated at 37° C. for 90 minutes. 10 uL of 4-nitroquinoline N-oxide (Sigma Aldrich Catalog # N8141-1G) diluted in media (final concentration 12 uM) were added to the tissue culture plate followed by a 120 minute incubation at 37° C. The cells were then washed with PBS and lysed using 10 uL/well SUREFIRE Kit lysis buffer diluted to 1× in water (PerkinElmer Catalog # TGRCHK1S50K), with mixing on an orbital shaker at 500 rpm for 20 min at RT. Lysates were frozen at &#8722;20° C. overnight.4 uL/well of lysate was then transferred from the tissue culture plate to a 384-well, white, low volume, PROXIPLATE (PerkinElmer Catalog #600828). 5 uL/well of the acceptor bead solution, prepared by diluting SUREFIRE Kit activation buffer (PerkinElmer Catalog # TGRCHK1S50K) and ALPHASCREEN Protein A acceptor beads (PerkinElmer Catalog #6760617R) in SUREFIRE Kit reaction buffer (PerkinElmer Catalog # TGRCHK1S50K), were added to the lysates under subdued light and incubated at room temperature for 120 min. 2 uL/well of the donor bead solution, prepared by diluting ALPHASCREEN Streptavidin donor beads (PerkinElmer Catalog #6760617R) in SUREFIRE Kit dilution buffer (PerkinElmer Catalog # TGRCHK1S50K), were added under subdued light and incubated at room temperature for an addition 120 minutes. The pCHK1 ALPHASCREEN signal was measured using an ENVISION plate reader (PerkinElmer). IC50 values were calculated using a four-parameter logistic curve fit using Genedata Screener software.
9450	2	ATR/ATRIP Enzymatic Assay	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog # A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 &#956;g/ml 3×FLAG peptide).The ability of new chemical matter to inhibit the ATR catalytic activity in this ATR/ATRIP complex was assessed using a Caliper-based assay. A 2× enzyme solution (i.e., 4 nM enzyme) was prepared using 1× Kinase Reaction Buffer (25 mM HEPES pH 8, 0.0055% Brij-35, 10 mM MnCl2, and 1 mM DTT). A 2× peptide solution was then prepared consisting of 10 uM FAM-labeled RAD17 peptide (GL Biochem, catalog #524315) in 1× Kinase Reaction Buffer supplemented with 2 &#956;M ATP. 10 &#956;L of the 2× enzyme solution was transferred to an assay plate containing 60 nL of test compound (from a 3× serial dilution) in 100% DMSO. Following a 30 minute incubation at 28° C., 10 &#956;L of the 2× peptide solution was then transferred to the same assay plate. The reaction was allowed to incubate at 28° C. for 6 hours. After adding &#956;L of stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating-3 Reagent (PerkinElmer, catalog # PN760050), and 50 mM EDTA), data were collected on a Caliper instrument. Conversion values were converted to inhibition values via the following equation: % inhibition=(max&#8722;conversion)/(max&#8722;min)*100, whereby max corresponds to the DMSO control and min corresponds to the low control. IC50 values were calculated using the following equation in XLFit: Y=Bottom+(Top&#8722;Bottom)/1+(IC50/X){circumflex over (&#8195;)}HillSlope).
9451	1	JAK1 and JAK3 Enzyme Activity Assays	The activity of JAK3 (a.a. 781-1124, ThermoFisher) was quantified by measuring the phosphorylation of SRCtide (FAM-GEEPLYWSFPAKKK-NH2). Kinase reactions were run in a 384-well Greiner plate with 2% final DMSO concentration under the buffer conditions of 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, and 0.0005% Tween-20. The kinase reaction components were 2.5 nM JAK3, 1 &#956;M SRCtide peptide and 1 uM ATP. Examples were tested in dose-response starting at 2 &#956;M (11 concentrations, 3-fold serial dilution, duplicate reactions). The reactions were incubated at room temperature for 40 minutes, then stopped by adding a 1:1 volume of 30 mM EDTA in 20 mM HEPES, pH 7.5 (15 mM EDTA final). After the reaction was stopped, the phosphorylated and unphosphorylated peptides were separated and quantified using a Caliper LC3000/EZ-Reader system and HTS Well Analyzer Software (Caliper, A PerkinElmer Company, Hopkinton, Mass.). GraFit (Erithacus Software Ltd., Horley, U.K.) was used to calculate inhibitor potency by fitting dose-response data to the 4-parameter logistical IC50 equation.The inhibitory potency of candidate compounds of JAK1 done at Thermo Fisher Scientific in their Selectscreen using a Z-lyte assay. The 2×JAK1/Tyr 06 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L of the Kinase Reaction consists of 21.2-91.5 ng JAK1 and 2 &#956;M Tyr 06 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent is added.Background signal is defined in the absence of enzyme and uninhibited signal is defined in the presence of vehicle (2% DMSO) alone. Compounds were evaluated in an 11 point dose-response ranging from 20 mM to 0.34 nM. IC50 values of compounds are determined using a 4 parameter logistical fit of emission ratio as a function of the concentration of compound. 
9452	1	In Vitro Activity Test for mGluR2	Experimental materials: HEK/mGluR2 cell line (human GluR2 transfected HEK cell line), DMEM (FBS) medium, positive control LY487379 (purchased from sigma; CAS: to 352317-17-1)Experimental instrument: FLIPR Tetra real-time fluorescence imaging analysis systemExperimental method: HDB Fluo-8 calcium fluorescence detection methodExperimental principle: HDB Fluo-8 calcium ion fluorescence detection method is a fast, simple and reliable fluorescence detection method of intracellular calcium concentration changes. The Fluo 8-AM fluorescent dye is an acetyl methyl ester derivative of Fluo 8 which can easily penetrate into the cell membrane by culture. The fluorescent dye in the cell will be hydrolyzed by intracellular esterase, the resulting Fluo 8 as a polar molecule, cannot easily pass through the lipid bimolecular membrane, and will be retained in the cell, and combine with calcium (Ca2+) to produce fluoresces.Cells expressing GPCR receptor protein (mGluR2) were first calibrated with a calcium ion sensitive fluorescent probe and then stimulated with the compound. After stimulation, the receptor activates the calcium ion mobilization, and the fluorescent probe captures the calcium ion to induce the fluorescence signal. The signal can be read by a fluoroscopy plate. The fluorescent plate reader contains a sample addition for compound addition, thus enabling the change of the fluorescence value of the compound be read in real time. If the selected compound activates mGluR2, the calcium flow reaction can be greatly increased; conversely, if the selected compound is able to antagonize mGluR2, the calcium flow reaction can be greatly reduced. Experimental results indicate that the EC50 for mGluR2 of the compounds 1 to 106 of the present invention are between 0.02 &#956;M-10 &#956;M, preferably between 0.02 &#956;M-1 &#956;m. Further, the experimental results show that the activities of the fluorine-containing triazolopyridine compound 1-106 according to the present invention to mGluR2 is about 8-15 times higher than that of the fluorine-free triazolopyridine compound corresponding to each compound.
9452	2	hERG Potassium Channel Toxicity Assay	Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with extracellular fluid, 2 &#956;L of the compound stock solution was added to 998 &#956;L extracellular fluid, and then serially diluted 5 times in an extracellular fluid containing 0.2% DMSO to obtain the final concentration to be tested. The highest test concentration of the compound was 40 &#956;M, and there were 6 concentrations, 40, 8, 1.6, 0.32, 0.064, and 0.0128 &#956;M, respectively.The DMSO content in the final test concentration did not exceed 0.2%, and this concentration of DMSO did not affect the hERG potassium channel.
9453	1	Inhibition of Beta-Lactamase Enzymes	A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nitrocefin (SynGene, Bangalore, India) was used at 100 &#956;M. Enzyme activity was monitored by the 490 nm absorbance increase upon nitrocefin hydrolysis. Assays were performed in clear polystyrene 384-well plates (Greiner Bio-One, Monroe, N.C.). Absorbance was measured for 1 hour at 30-s intervals using a Spectramax absorbance plate reader (Molecular Devices, Sunnyvale, Calif.). Measurement of beta-lactamase inhibition by INHIBITOR employed serial 3-fold dilutions of the inhibitor in assay buffer, ranging from 100 &#956;M to 62.7 pM. A background absorbance progress curve for a control lacking enzyme and inhibitor was subtracted from each progress curve.
9454	1	LSD1 histone demethylase biochemical assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO: 1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1×LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
9455	1	CDK2/Cyclin E1 Mobility Shift Assay 	The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-18 (5-FAM-QSPKKG-CONH2) (SEQ ID NO:1). (CPC Scientific, Sunnyvale, Calif.). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type full length CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Mat1 enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 150 &#956;M ATP (ATP Km=67.4 &#956;M), 0.005% Tween-20, 3 &#956;M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA, pH 7.5. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable.
9455	2	CDK6/Cyclin D1 Mobility Shift Assay	The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) CDK6/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK6/CyclinD1 (LJIC-2003A2/1865) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
9455	3	CDK4/Cyclin D3 Mobility Shift Assay	The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 2 nM (active sites) CDK4/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK4/Cyclin D3 (LJIC-2007/2010) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
9456	1	Inhibitory Action of PDHK1 Activity In Vitro	In the case of human PDHK1 (hPDHK1, NCBI Reference Database Accession number NM_002610.3), a 1.3 kbp fragment encoding this protein was isolated from human liver cDNA by polymerase chain reaction (PCR). Modified hPDHK1 cDNA wherein FLAG-Tag sequence was added to the N terminus was prepared by PCR and ligated to the NdeI/EcoRI site of pET-17b vector (Merck MGaA, model number 69663-3). The recombinant construct was transformed into Escherichia coli DH5a (TOYOBO, model number DNA-903). The recombinant clones were identified, and plasmid DNA was isolated and subjected to the DNA sequence analysis. One clone which had the expected nucleic acid sequence was selected for expression work.For expression of hPDHK1 activity, Escherichia coli strain BL21(DE3) cells (Merck KGaA, model number 69450-4) were transformed with the pET17b vector containing modified hPDHK1 cDNA. The Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30° C. Protein expression was induced by the addition of 500 &#956;mol/L isopropyl-&#946;-thiogalactopyranoside. The Escherichia coli were cultured at 20° C. for 17-18 hr and harvested by centrifugation.The harvested Escherichia coli was resuspended in a suspension buffer (20 mmol/L N-(2-hydroxyethyl)piperazine-N&#8242;-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% polyoxyethylene-polyoxypropylene block copolymer (Pluronic F-68), complete, EDTA-free (pH 8.0)) and disrupted by a microfluidizer M-110H (MIZUHO INDUSTRIAL CO., LTD.) or ultrasonication. The precipitate was removed by centrifugation and the supernatant was added to DDDDK-tagged Protein PURIFICATION GEL (MBL, model number 3329). DDDDK-tagged Protein PURIFICATION GEL was washed with a washing buffer (20 mmol/L HEPES-NaOH, 500 mmol/L sodium chloride, 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)) and the bound protein was eluted with elution buffer 1 (20 mmol/L HEPES-NaOH, 100 &#956;g/mL peptide (amino acid sequence DYKDDDDK) (SEQ ID NO: 1), 500 mmol/L sodium chloride, 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)).The eluted fractions containing FLAG-Tagged protein were pooled, concentrated by an ultrafiltration method, added to a gel filtration column (HiLoad 26/60 Superdex 200 (GE Healthcare, model number 17-1070-01)), and eluted with elution buffer 2 (20 mmol/L HEPES-NaOH, 150 mmol/L sodium chloride, 0.5 mmol/L ethylenediaminetetraacetic acid (EDTA), 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)). The eluted fractions were pooled and preserved at &#8722;80° C.0.025 U/mL PDH (porcine heart PDH complex, Sigma P7032) and 0.5 &#956;g/mL hPDHK1 were mixed in an assay buffer (50 mmol/L 3-morpholinopropanesulfonic acid (pH 7.0), 20 mmol/L dipotassium hydrogen phosphate, 60 mmol/L potassium chloride, 2 mmol/L magnesium chloride, 0.4 mmol/L EDTA, 0.2% poloxamer, 2 mmol/L dithiothreitol), and the mixture was incubated at 4° C. overnight to obtain a PDH/hPDHK1 complex solution. In the assay buffer, 0.025 U/mL PDH was mixed and incubated at 4° C. overnight to prepare a PDH solution.The test compounds were diluted with dimethyl sulfoxide (DMSO). To measure an inhibitory action of the test compound on the PDHK activity in the PDH/hPDHK1 complex solution, PDH/hPDHK1 complex solution (20 &#956;L), test compound (1.5 &#956;L) and 0.353 &#956;mol/L ATP (diluted with assay buffer) (8.5 &#956;L) were added to a 384 well microplate (Greiner Bio-One 781801) and PDHK reaction was performed at room temperature for 45 min (test compound well). DMSO (1.5 &#956;L) was added to control wells instead of test compound. In addition, DMSO (1.5 &#956;L) was added to blank wells instead of the test compound, and PDH solution was added instead of the PDH/hPDHK1 complex solution.
9456	2	Inhibitory Action of PDHK2 Activity In Vitro	In the case of human PDHK2 (hPDHK2, NCBI Reference Database Accession number NM_002611.4), modified hPDHK2 cDNA wherein FLAG-Tag sequence was added to the N terminus of hPDHK2 cDNA clone (pReceiver-M01/PDK2-GeneCopoeia) as the base was prepared by PCR and ligated to the NdeI/EcoRI site of pET-17b vector. The recombinant construct was transformed into Escherichia coli DH5a. The recombinant clones were identified, and plasmid DNA was isolated and subjected to the DNA sequence analysis. One clone which had the expected nucleic acid sequence was selected for expression work.For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells were transformed with the pET17b vector containing modified hPDHK2 cDNA. The Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30° C. Protein expression was induced by the addition of 500 &#956;mol/L isopropyl-&#946;-thiogalactopyranoside. The Escherichia coli were cultured at 20° C. for 17-18 hr and harvested by centrifugation. The harvested Escherichia coli was resuspended in a suspension buffer (20 mmol/L HEPES-NaOH, 500 mmol/L sodium chloride, 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0), cOmplete, EDTA-free (pH 8.0)), and disrupted by a microfluidizer. The precipitate was removed by centrifugation and the supernatant was added to DDDDK-tagged Protein PURIFICATION GEL. DDDDK-tagged Protein PURIFICATION GEL was washed with a washing buffer (20 mmol/L HEPES-NaOH, 500 mmol/L sodium chloride, 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)) and the bound protein was eluted with elution buffer 1 (20 mmol/L HEPES-NaOH, 100 &#956;g/mL peptide (amino acid sequence DYKDDDDK) (SEQ ID NO: 1), 500 mmol/L sodium chloride, 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)). The eluted fractions containing FLAG-Tagged protein were pooled, concentrated by an ultrafiltration method, added to a gel filtration column (HiLoad 26/60 Superdex 200), and eluted with elution buffer 2 (20 mmol/L HEPES-NaOH, 150 mmol/L sodium chloride, 0.5 mmol/L ethylenediaminetetraacetic acid (EDTA), 1% ethylene glycol, 0.1% pluronic F-68 (pH 8.0)). The eluted fractions were pooled and preserved at &#8722;80° C.0.025 U/mL PDH and 0.5 &#956;g/mL hPDHK2 were mixed in an assay buffer (50 mmol/L 3-morpholinopropanesulfonic acid (pH 7.0), 20 mmol/L dipotassium hydrogen phosphate, 60 mmol/L potassium chloride, 2 mmol/L magnesium chloride, 0.4 mmol/L EDTA, 0.2% poloxamer, 2 mmol/L dithiothreitol), and the mixture was incubated at 4° C. overnight to obtain a PDH/hPDHK2 complex solution. In the assay buffer, 0.025 U/mL PDH was mixed and incubated at 4° C. overnight to prepare a PDH solution.The test compounds were diluted with DMSO. To measure an inhibitory action of the test compound on the PDHK activity in the PDH/hPDHK2 complex solution, PDH/hPDHK2 complex solution (20 &#956;L), test compound (1.5 &#956;L) and 1.06 &#956;mol/L ATP (diluted with assay buffer) (8.5 &#956;L) were added to a 384 well microplate and PDHK reaction was performed at room temperature for 45 min (test compound well). DMSO (1.5 &#956;L) was added to control wells instead of test compound. In addition, DMSO (1.5 &#956;L) was added to blank wells instead of the test compound, and PDH solution was added instead of the PDH/hPDHK2 complex solution. To measure an inhibitory action of the test compound on the PDHK activity inherent in the PDH solution, a test compound was added and the PDH solution instead of the PDH/hPDHK2 complex solution was added to a blank+test compound well.Then, 10 &#956;L of substrates (5 mmol/L sodium pyruvate, 5 mmol/L Coenzyme A, 12 mmol/L NAD, 5 mmol/L thiamine pyrophosphate, diluted with assay buffer) were added. The mixture was incubated at room temperature for 90 min, and the residual PDH activity was measured.The absorbance of each well at 340 nm was measured using a microplate reader to detect NADH produced by the PDH reaction.
9457	1	Cell Proliferation Assays	MTS testing kit was purchased from Promega. The DMEM, Fetal bovine serum and Penicillin-Streptomycin were purchased from Gibco. Dimethyl sulfoxide (DMSO) was purchased from Sigma.To investigate whether a compound is able to inhibit the activity of BTK in cells, a mechanism-based assay using DOHH2 (DSMZ catalog#: ACC47) and Mino (ATCC Number CRL-3000 ) cells was developed. In this assay, inhibition of BTK was detected by the inhibition of DOHH2 and Mino cell proliferations. DOHH2 or Mino cells were cultured in culture flasks to 40-80% confluence in RPMI-1640 plus 10% fetal bovine serum. C ells were collected and plated onto 96-well plates at desired cell density (DOHH2: 5000 cells/well; Mino: 10000 cells/well). Plates were incubated overnight at 37° C., with 5% CO2 to adhere. Compounds were added to the plates, and the final compound concentrations were 10000, 3333, 1111, 270, 124, 41, 14, 4.6 and 1.5 nM. Plates were placed at 37° C., with 5% CO2 for 120 h (DOHH2) or 72 h (Mino). 20 &#956;l MTS/100 &#956;l medium mixture solution were added to each well and the plates were incubated for exactly 2 hours. The reaction was stopped by adding 25 &#956;l 10% SDS per well. Absorbance at 490 nm and 650 nm (reference wavelength) were measured and IC50 was calculated using GraphPad Prism 5.0.
9458	1	Human Atx Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
9459	1	TBD	TBD
9460	1	Evaluation of Kd Values	The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47, (S rme et al., 2004) and Monovalent interactions of Galectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al., 2010). The assay was adapted to be able to measure the high affinity of the present compound for galectin-3 by using a probe (SY) constructed to have high affinity for galectin-3 based on the structure of 3,3&#8242;-Dideoxy-3,3&#8242;-di-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1,1&#8242;-sulfanediyl-di-&#946;-D-galactopyranoside, which made it possible to use a low concentration of galectin-3 (50 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
9460	2	Evaluation of Kd Values	The affinity of compounds 3a-c for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47 (S rme et al., 2004) and Monovalent interactions of GAlectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al. 2010). The assay was adapted to be able to measure the high affinity of the present compound for galectin-3 by using a probe (SY) constructed to have high affinity for galectin-3 based on the structure of 3,3&#8242;-dideoxy-3,3&#8242;-di-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1,1&#8242;-sulfanediyl-di-&#946;-D-galactopyranoside which made it possible to use a low concentration of galectin-3 (50 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
9461	1	Study with Mouse and Human Intestinal Tissue Homogenates	The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 doses studied for ability to prevent metabolic breakdown of uridine, through the in vitro inhibition of mouse and human small intestinal UPase enzyme, was 0, 0.1, 0.5, 1, 5, 10, 50, 100, 500, 1000, 5000 and 10000 &#956;M). Detection of UPase activity was determined by HPLC analysis using UV detection of uracil concentration (UPase catabolizes uridine into uracil and ribose-1-phosphate).The UPase enzyme material was prepared from homogenized mouse and human being small intestinal tissue. TK-112690 was dissolved in water (50 mg/ml) and analyzed for UPase inhibition in aqueous solution containing 5 mM uridine, 0.01 M Tris, 0.01 M phosphate, 1 mM EDTA, and 1 mM DTT. Reactions were performed at 37° C. at pH of 7.3.TK-11260 inhibition of mouse and human UPase was analyzed by reverse phase HPLC using UV detection. HPLC analysis was performed at ambient temperature with a Water 2695 Alliance system equipped with a C18 ECONOSIL 5 U ALLtech column. 20 &#956;l of UPase reaction samples were auto-injected onto column. Mobile phase consisted of water eluting for first 2.5 ml and acetonitrile gradient to 100% in 12.5 ml (flow rate 0.5 ml/min). The outlet fluent was monitored by UV absorption in the range of 240-320 nm. UPase enzymatic activity was based on the AUC of the uracil peaks.
9427	2	Inhibitory Activity Assay	The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc.) by mobility shift assay (MSA) method. The substrate of the kinase reaction was an FITC-labeled SRCtide peptide included in the kit. An assay buffer [20 mM HEPES, 0.01% Triton X-100 (trademark), 2 mM dithiothreitol, pH 7.51 was used and adjusted at 4 uM substrate, 20 mM MgCl2 and 120 um and 100 um ATP, which are ATP concentrations close to Km value of wild type and C481S mutant BTK respectively, to obtain a substrate mixture solution. The enzyme solution was also prepared by diluting the wild type or C481S mutant BTK to 0.28 nM using the assay buffer. The 10 mM solution of the test compound in DMSO was further diluted with DMSO to 10 levels of the concentration (0.00003 mM, 0.0001 mM, 0.0003 mM, 0.001 mM, 0.003 mM, 0.01 mM, 0.03 mM, 0.1 mM, 0.3 mM, 1 mM), each of which was subjected to a 25-fold dilution with the assay buffer to obtain the drug solutions (4% DMSO solutions). 5 uL of the drug solution or a control solution (4% DMSO-assay buffer), 5 uL of the substrate mixture solution, and 10 uL of the enzyme solution were mixed in the wells of a polypropylene 384-well plate and allowed to react at room temperature for 1 hour, and then quenched by adding 60 ??L of the termination buffer included in the kit. Subsequently, the quantities of the substrates (S) and the phosphorylated substrate (P) in the reaction solution were measured using LabChip EZ Reader II system (manufactured by Caliper Life Sciences) according to the protocol of the assay kit.
9462	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9463	1	Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay	Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combined with [3H]mibolerone (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4, 1.5 mM disodium EDTA, 0.25 M sucrose, 10 mM sodium molybdate, 1 mM PMSF) to determine the equilibrium dissociation constant (Kd) of [3H]mibolerone. Protein was incubated with increasing concentrations of [3H]mibolerone with and without a high concentration of unlabeled mibolerone at 4° C. for 18 h in order to determine total and non-specific binding. Non-specific binding was then subtracted from total binding to determine specific binding and non-linear regression for the ligand binding curve with one site saturation was used to determine the Kd of mibolerone.Increasing concentrations of SARDs or DHT (range: 10&#8722;12 to 10&#8722;4 M) were incubated with [3H]mibolerone and AR-LBD using the conditions described above. Following incubation, the ligand bound AR-LBD complex was isolated using BiogelHT hydroxyapatite, washed and counted in a scintillation counter after adding scintillation cocktail.
9464	1	Biological Assays	The utility of the compounds of the invention as an inhibitor of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demonstrated by methodology known in the art and as described as follows. Inhibition constants (IC50s; the concentration of compound required to provide 50% of maximal activity) are determined as follows. The compounds of the invention were tested in a fluorescence laser imaging plate reader based assay. This assay is a common functional assay to monitor Ca2+ mobilization in whole cells expressing recombinant receptor coupled with a promiscuous G-protein. CHO (Chinese hamster ovary) dhfr-cells stably expressing recombinant human mGluR2 and G&#945;16 loaded with Fluo-4 AM (Invitrogen, Carlsbad Calif., USA) were treated with various concentrations of each of the tested compounds of the invention and the Ca2+ response was monitored on a FLIPR384 instrument (Molecular Devices, Sunnydale Calif., USA). Maximal agonist activity was measured in the presence of 2,500 nM glutamate and the inhibition provided by a range of compound concentrations sufficient to minimally and maximally inhibit the glutamate-dependent response was monitored over time. The maximum calcium response at each concentration of compound for agonist or antagonist were plotted as dose responses and the curves were fitted with a four parameter logistic equation giving IC50 and Hill coefficient using the iterative non-linear curve fitting software ADA (Merck & Co., Inc.). Data in the following table lists the activity of each compound to inhibit glutamate-dependent mGluR2 activity in this cellular assay.
9465	1	PD-1/PD-L1 Binding Assay	Binding assays were conducted in a low volume white 384-well polystyrene plate in a final volume of 20 &#956;L. Compounds to be analyzed were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assay was carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer (final concentration &#8722;0.67 and 0.20 nM respectively) and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with compounds for 40 minutes. The incubation was followed by the addition of 10 &#956;L of assay buffer supplemented with Alphascreen Ni chelate donor beads (PerkinElmer-AS101D) and Protein A Acceptor beads (PerkinElmer-6760137) at final concentration 2.5 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 120 minutes before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the compound concentration using the GraphPad Prism 5.0 software.
9465	2	Homogeneous Time-Resolved Fluorescence (HERF)	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9466	1	Enzyme Inhibition of Purified HIV-1 Protease	Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activity. Biochemical assays were performed to evaluate the potential of PEG-PI conjugates to inhibit HIV-1 protease activity, relative to their respective PI parent molecules. Activity assays were performed at using the SensoLyte 520 HIV-Protease Assay Kit (Anaspec Inc., San Jose, Calif.) and recombinant HIV-1 protease. Protease activity was monitored by the formation of a fluorescent reporter product generated during HIV-1 protease-mediated digestion of a quenched, fluorimetric substrate containing the p17/p24 Prgag cleavage site.
9467	1	HDAC Inhibition	These SAR data indicate that a tripartite structure of this scaffold with a central C(O) NH NH unit flanked by a phenyl group and a short aliphatic chain increases HDAC inhibition. As for the phenyl group, the presence of a relatively bulky substituent at the para position relative to the carbonyl group also affords potent HDAC inhibitors.
9468	1	TBD	TBD
13246	1	MRGPRX2 Activity Assay	FlpIn TRex-MRGPRX2-HEK293 cells (herein TRex-MRPGRX2-HEK) stably transfected to express human MRGPRX2 were maintained at 37oC with 5% CO2 and grown in DMEM supplemented with 10% FBS, 1% L-Glutamate, 1% penicillin/streptomycin, 100ug/mL Hygromycin B, and 15 µg/mL Blasticidin. GOI (MRGPRX2) expression was induced with 100ng/mL of Doxycycline 18-24 hours prior to experiment, in flask. On the day of experiment, cells were lifted with TripLE Express and seeded in 384-well white walled opaque bottomed, assay plates, at 8,000 cells per well in 5 µL freshly made assay buffer (HBSS, 20 mM HEPES, 0.1% BSA and 10 mM LiCl). Compounds solubilized in 100% DMSO at 30 mM were serially diluted (1:4) first in 100% DMSO, and an intermediate plate of assay buffer was used to establish a final top concentration of 30 µM (in assay plate). Final DMSO concentration was kept constant at 1% across assay plates. Cortistatin-14, at 30 mM stock concentration was solubilized in HBSS + 0.1% BSA, stored at -20°C in 5 µL aliquots and discarded after one freeze-thaw cycle. Final concentration of agonist used in antagonist mode assay was 1 ^M, estimated EC80 (EC50 of Cortistatin-14 ~ 2.5e-7 M). Antagonist equilibrium was established with 30 minutes preincubation, followed by no wash, direct addition, and stimulation of agonist for 1 hour at 37oC / 5% CO2. IP-1 standards and HTRF detection reagents were added according to the IP-one Gq kit protocol purchased from CisBio (part number 62IPAPEJ). The plate was read on an EnVision XCite plate reader. The HTRF ratio was then calculated from raw data (channel1/channel2 ×10,000) and analyzed using either GraphPad Prism or a custom Python script to calculate IC50 using Log[Antagonist] vs. response (4 parameter) nonlinear regression.
13246	2	LAD2 Degranulation Assay (Protocol 2)	LAD-2 cells were maintained at 37oC with 5% CO2 and grown in complete StemPro-34 media supplemented with 1% L-Glutamate, 1% penicillin/streptomycin, and 250 ng/mL human SCF. 18-24 hours prior to experiment, LAD-2 cells were collected and transferred to growth media without SCF. On the day of experiment, cells were collected by centrifugation and seeded in 384-well assay plates, at 4,000 cells per well in 17 ^l freshly made assay buffer (10 mM HEPES, 137 mM NaCl, 2.7 mM KCl, 1.8 mM CaCl2, 1.0 mM MgCl2, 5.6 mM glucose, 0.4 mM NaH2PO4, 0.04% BSA, pH = 7.40). For dose-response assays, compounds solubilized in 100% DMSO at 30 mM were serially diluted (1:3) first in 100% DMSO, and 2 intermediate dilutions with assay buffer were used to establish a final top concentration of 3 ^M (in assay plate). For single point assays, dilution of DMSO stocks to 250 nM (in assay plate) was performed in the same manner as described for dose-response assays. Final DMSO concentration was kept constant at 0.1% across plates for all assays. Cortistatin-14 at 30 mM stock concentration was solubilized in HBSS + 0.1% BSA, stored at -20°C in 5 ^L aliquots and discarded after one freeze-thaw cycle. Final concentration of agonist used in both dose-response and single point assays was 0.5 ^M, prepared in assay buffer. Antagonist equilibrium was established with 2 h preincubation, followed by no wash, direct addition, and stimulation of agonist for 30 minutes at 37oC. For detection of ^-hexosaminidase activity, assay plates were centrifuged and 5 ^L of cell-free supernatant from each assay well was transferred to a black-walled black-bottomed 384-well plate. Substrate solution (1 mM 4-Methylumbelliferyl N-acetyl-β-D-glucosaminide in citrate buffer, pH=4.5, 15 ^l) was added to each well and plates were incubated for 1 hour at 37oC. The plate was read on an EnVision XCite plate reader for umbelliferone fluorescence intensity (λex=355 nm, λem=460 nm). Background-subtracted data was analyzed using either GraphPad Prism or a custom Python script to calculate IC50 using either Log[Antagonist] vs. response (4 parameter) nonlinear regression (dose-response assays).
9470	1	FPA Binding Assay	FPA Assay protocol adopted from Karatas et al. (J. Med. Chem. 2010, 5179.; J. Amer. Chem. Soc. 2013, 669.): WDR5 (&#916;23, residues 24-334), is expressed and purified in sufficient quantities for screening. FITC-MLL peptide (FITC-GSARAEVHLRKS) and 10mer-Thr-FAM (ARTEVHLRKS-(Ahx-Ahx)(Lys-(5-FAM))) were purchased from GeneScript and used without additional purification. FITC-MLL peptide is used at 50 nM, while WDR5 is added at the Ki value of the protein:peptide interaction (WDR5-WIN Ki=2.5 &#956;M). 10mer-Thr-FAM peptide is used at 4 nM, while WDR5 is added at the Ki value of the protein:peptide interaction (WDR5-10mer-Thr Ki=4 nM).Stock compounds are dispensed in barcoded 384-well plates as 30 mM solutions in DMSO. This plate is used as the source plate for the Echo Liquid Handler, which distributes the compounds to the assay plate (black, flat-bottom; Greiner) in a 10-point, 3-fold dilution scheme with a top concentration of 100 &#956;M (5 nM low concentration) in a final volume of 50 &#956;L. Both the top concentration and the dilution scheme can be adjusted to fit the anticipated potency of the compounds.For the FITC-MLL assay, 2.5 &#956;M WDR5 and 50 nM FITC-MLL peptide in assay buffer (1× Phosphate Buffered Saline, pH 6.0, 300 mM NaCl, 0.5 mM TCEP, 0.1% CHAPS) is added to all compound-containing wells and to columns 2, 24 (negative control, 0% inhibition). 2 &#956;L of 50 nM FITC-MLL peptide alone in assay buffer is added to columns 1, 23 (positive control, 100% inhibition). For the 10mer-Thr-FAM assay, a similar addition protocol is performed, using 4 nM WDR5 and 4 nM 10mer-Thr-FAM peptide in assay buffer (1× Phosphate Buffered Saline pH 6.0, 300 mM NaCl, 0.5 mM TCEP, 0.1% CHAPS).The plate is covered, shielded from light, and incubated for 60 min at room temperature, with rocking. Anisotropy is measured at excitation wavelength 480 nm and emission wavelength 535 nm using an EnVision Multi-label plate reader (PerkinElmer, Wellesley, Mass., USA) or a BioTek Cytation 3 (BioTek, Winooski, Vt., USA). Fluorescence anisotropy is plotted against compound concentration to generate an IC50 (inhibitor concentration at which 50% of bound peptide is displaced) by fitting the data to a 4-parameter logistic model using XLFit software (Guildford, Surrey, UK). IC50 is converted to a binding dissociation constant (Ki value) according to the formula of Wang Z. FEBS Lett (1996) 3, 245.K i=[I]50/([L]50 /K d+[P]0 /K d+1)where [I]50 is the concentration of the free inhibitor at 50% inhibition, [L]50 is the concentration of the free labeled ligand at 50% inhibition, [P]0 is the concentration of the free protein at 0% inhibition, Kd represents the dissociation constant of the FITC-MLL or 10mer-Thr-FAM probe for WDR5. Total fluorescence is also measured, to rule out compounds that are inherently fluorescent or able to act as quenchers in the assay. 
9470	2	TR-FRET Binding Assay	A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compound treatment was performed for compounds wherein the IC50 from FPA assay using 10mer-Thr-FAM was below the lower assay IC50 limit 1 nM. Excess 10mer-Thr-FAM probe was utilized with His-tagged WDR5 in conjunction with a commercial anti-His antibody containing a Terbium label. The LanthaScreen Elite Tb-anti-HIS Antibody from ThermoFisher Scientific was used for this purpose. This Tb-anti-HIS has an excitation/emission of 340 nm and 490 nm, respectively. The 10mer-Thr-FAM probe when bound to WDR5 will undergo a FRET interaction with the Tb-anti-HIS and emit at 520 nm. The ratio of the 520 and 495 signals are then utilized to generate a dose-response curve to calculate an IC50 value. By virtue of FRET there is little to no background fluorescence interference from 10mer-Thr-FAM probe allowing an excess of the probe to be used permitting an increase in the lower limit of the calculated Ki when testing against highly potent inhibitors with Ki<<1 nM. WDR5-His Tag (423, residues 24-334) is expressed and purified in our lab in sufficient quantities for screening. 10mer-Thr-FAM peptide is used anywhere from 15 to 150 nM depending on the window of sensitivity required. WDR5-His tag protein is used at 2 nM. A source plate is prepared using an Echo Liquid Handler, which distributes the compounds to the assay plate (white, flat-bottom; OptiPlate) in a 10-point, 3-fold dilution schemes with a top concentration of either 5 or 20 &#956;M depending on the anticipated potency of the compounds, in a final volume of 20 &#956;L. A final target (WDR5)/Tb-Ab concentration of 2 nM/1 nM is dispensed from appropriate stock solutions, respectively. The final DMSO concentration in each well of the assay plate is 1% or lower. As before the plate is covered, shielded from light, and incubated for 60 minutes at room temperature with rocking. Anisotropy is then measured on a Biotek Cytation 3 at excitation wavelength of 340 nm, and emission wavelengths of 495 nm and 520 nm. Working buffer conditions (pH 7.0) are similar to that in FPA above. TR-FRET signal is plotted and IC50 and Ki values are calculated in the same manner as the fluorescence polarization anisotropy based competition assays. 
9471	1	ROCK1 and ROCK2 Kinase Inhibition Assays	The following assay protocol is for measuring the phosphorylation of a peptide substrate (FAM-KKLRRTLSVA-OH wherein FAM is carboxyfluorescein). The peptide is >98% purity by Capillary Electrophoresis. The peptide is phosphorylated by the protein kinase ROCK1 or ROCK2. The ROCK1 or ROCK2 enzyme, substrate, and cofactors (ATP and Mg2+) are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. At the end of the incubation, the reaction is quenched by the addition of an EDTA-containing buffer. The substrate and product are separated and quantified electrophoretically using the microfluidic-based LABCHIP 3000 Drug Discovery System from Caliper Life Sciences (Hopkinton, Mass.).The components of the assay mixture are:100 mM HEPES, pH 7.50.1% BSA0.01% Triton X-1001 mM DTT10 mM MgCl210 &#956;M Sodium Orthovanadate10 &#956;M Beta-Glycerophosphate5 &#956;M ATP (for ROCK1) or 7 &#956;M ATP (for ROCK2)1% DMSO (from compound)1.25 &#956;M FAM-KKLRRTLSVA-OH3 nM ROCK1 or 2.5 nM ROCK2 enzymeSubstrate and product peptides present in each sample are separated electrophoretically using the LABCHIP 3000 capillary electrophoresis instrument. As substrate and product peptides are separated two peaks of fluorescence are observed. Change in the relative fluorescence intensity of the substrate and product peaks is the parameter measured reflecting enzyme activity. Capillary electrophoregramms (RDA acquisition files) are analyzed using HTS Well Analyzer software (Caliper Life Sciences, Hopkinton, Mass.). The kinase activity in each sample is determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product peptide and S is the peak height of the substrate peptide. For each compound, enzyme activity is measured at various concentrations (12 concentrations of compound spaced by 3× dilution intervals). Negative control samples (0%-inhibition in the absence of inhibitor) and positive control samples (100%-inhibition in the presence of 20 mM EDTA) are assembled in replicates of four and are used to calculate %-inhibition values for each compound at each concentration. Percent inhibition (Pinh) is determined using the following equation:Pinh=(PSR0%&#8722;PSRinh)/(PSR0%&#8722;PSR100%)*100where PSRinh is the product sum ratio in the presence of inhibitor, PSR0% is the average product sum ratio in the absence of inhibitor, and PSR100% is the average product sum ratio in 100%-inhibition control samples. The IC50 values of inhibitors are determined by fitting the inhibition curves (Pinh versus inhibitor concentration) by 4 parameter sigmoidal dose-response model using XLfit 4 software (IBDS). 
9472	1	Enzymatic Activity Assay of DPP-4	Human DPP-4 ((39-766)-His) and mouse DPP-4 ((29-760)-His) are purified by gel chromatography for use in the assay. The final concentration of hDPP-4 and mDPP-4 in the assay is 0.04 nM and 0.22 nM respectively.Inhibition of the catalytic activity of human and mouse DPP-4 by the compound in the present invention is monitored by the formation of product fluorescence AMC from substrate Gly-Pro-AMC (Sigma, G2761) on an Envision plate reader. The reaction is typically conducted by incubating the enzyme, test compound, and substrate (10 &#956;M) in an assay buffer (75 &#956;l) (0.01% BSA, 0.1 mM EDTA, 50 &#956;M Tris-HCl, 0.01% Triton -X100, 0.1 M NaCl at pH 7.5) for 30 minutes. After the reaction is stopped by the addition of ZnSO4 (25 &#956;l, 10 mM), the formation of fluorescent product AMC is measured on an Envision plate reader with the excitation wavelength at 355 nm and emission wavelength at 460 nm. The IC50 value is calculated typically from a 10-point dose titration curve using the 4-parameter logistic equation.
9472	2	Enzymatic Activity Assay of MetAP2	The compounds exemplified herein are tested essentially as described below and exhibit an IC50 for the human and mouse MetAP2 assay as shown in Table 1.Full length MetAP2 (human and mouse) proteins are generated from Sf9 cells using procedure similar to that described in Biochemistry 2003, 42, 5035-5042. MetAP2 is purified in the presence of 5 mM MnCl2 and 2 mM CoCl2 respectively, and stored at &#8722;78° C. before use.Inhibition of the catalytic activity of human and mouse MetAP2 by compounds in the present invention is measured by monitoring the formation of the product peptide (Gly-Lys-Val-Lys-Val-Gly-Val-Asn-Gly) from the substrate peptide (Met-Gly-Lys-Val-Lys-Val-Gly-Val-Asn-Gly) via LC/MS. The reaction is typically conducted by incubating the enzyme, test compound and substrate (150 &#956;M) in an assay buffer (100 &#956;l) (50 mM HEPES, 100 mM NaCl, 50 mg/mL BSA, 0.17 mM Triton X-100 at pH 7.5) for 40 minutes. After the reaction is stopped by the addition of ACN (200 &#956;l), the levels of product and remaining substrate are quantified with a mass spectrometer. The IC50 value is calculated typically from a 10-point dose titration curve using a 4-parameter equation.
9473	1	LOX Enzyme Activity Assay 	LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.
9473	2	LOXL2 Enzyme Activity Assay (a)	LOXL2 batch is obtained from R&D systems/Bio-techne.  Incubate for 20 min at room temp on a plate shaker.
9473	3	LOXL2 Enzyme Activity Assay (c)	LOXL2 batch is obtained from R&D systems/Bio-techne.  Incubate for 20 hours at room temp on a plate shaker.
9473	4	Monoamine oxidase A (MAO-A) Selectivity Assay	MAO-Glo Assay Kit: Promega, Cat No. V1402, MAO-A Enzyme: Promega, Cat No. V1452.
9473	5	Monoamine Oxidase B (MAO-B) Selectivity Assay	MAO-Glo Assay Kit: Promega, Cat No. V1402, MAO-B Enzyme: Sigma, Cat No. M7441.
9473	6	LOX Activity in Cysts Assay	To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 10 days before subsequent studies.
9473	7	Diamine Oxidase (DAO) Selectivity Assay	Promega ROS-Glo H2O2 Assay Kit, 50 ml. Cat No. G8821.
9473	8	LOXL2 Enzyme Activity Assay (b)	LOXL2 batch is obtained from R&D systems/Bio-techne.  Incubate for 1 hour at room temp on a plate shaker.
9474	1	Radio-Ligand RORgamma Binding Assay (Assay 1)	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162x) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 mM and incubated for 10 mM at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 mM and then for 10 mM without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves. Inhibitory constants (Ki) were calculated using the following equation, where [RL] is the concentration in the assay and KD is a dissociation constant of 25-hydroxy [26,27-3H]-cholesterol:K i = IC 50 ( 1 + [ RL ] K D ) .
9475	1	In Vitro Enzyme Inhibition Assay	Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BREM was cloned, expressed and purified to homogeneity. Filipakopoulos et al., 468 Nature 1067 (2010). BRD4 binding and inhibition was assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin labeled) with the target using the AlphaScreen technology (Life Technologies). In a 384-well ProxiPlate BRD4(BD1) (2 nM final) was combined with peptide (15 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 min incubation at RT, Alpha streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After 2 hr of equilibration, plates were read on an Envision instrument and the IC50 was calculated using a four parameter non-linear curve fit.
9476	1	KIT D816V assay at Km	In each well of a 384-well plate, 0.04 ng/ul (0.5 nM) of D816V KIT (Carna Bioscience 08-156) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM Srctide (5-FAM-GEEPLYWSFPAKKK-NH2) and 15 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;700, downstream voltage &#8722;3000, post sample sip 35s). Data was normalized to 0% and 100% inhibition controls and the IC50 or EC50 calculated using a 4-parameter fit using GraphPad Prism.
9476	2	PDGFRA D842V assay at Km	In each well of a 384-well plate, 0.7 ng/ul (8 nM) of PDGFRA D842V (ProQinase 0761-0000-1) was incubated in a total of 12.5 ul of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 uM CSKtide (5-FAM-KKKKEEIYFFF-NH2) and 15 uM ATP at 25 C for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 ul of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.9 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 38s). Data was normalized to 0% and 100% inhibition controls and the IC50 or EC50 calculated using a 4-parameter fit using GraphPad Prism.
9477	1	Measurement of Inhibitory Activity Against RET (In Vitro)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (the final concentration: 250 nM), magnesium chloride (the final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (the final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform a kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9477	2	Measurement of Inhibitory Activity Against RET (V804L, V804M)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET (V804L or V804M) (i.e., RET with V804L or V804M mutation) kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET (V804L or V804M) protein used in the test was purchased from Eurofins.To measure the inhibitory activity, first, the test compounds were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET (V804L or V804M) protein, the substrate peptides (the final concentration: 250 nM), magnesium chloride (the final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of a test compound in DMSO (the final concentration of DMSO: 5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA was then added thereto to give a final concentration of 40 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9478	1	Human Nociceptin/Orphanin FQ Peptide (hNOP) Receptor Binding Assay	The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM MgCl2. 1 mM EDTA (pH 7.4). The final assay volume (250 &#956;l/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 1 &#956;M unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 60 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux &#946;-counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]nociceptin-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. (Cheng and Prusoff. 1973).
9478	2	Human Mu-Opioid Peptide (hMOP) Receptor Binding Assay	The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co. St. Louis. Mo.). The final assay volume (250 l/well) included 1 nM of [N-allyl-2.3-3H]naloxone as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 25 &#956;M unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux &#946;-counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]naloxone-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. (Cheng and Prusoff. 1973).
13246	3	LAD2 Degranulation Assay (Protocol 1)	LAD-2 cells were maintained at 37oC with 5% CO2 and grown in complete StemPro-34 media supplemented with 1% L-Glutamate, 1% penicillin/streptomycin, and 250 ng/mL human SCF. On the day of experiment, cells were collected by centrifugation and seeded in 384-well assay plates, at 4,000 cells per well in 10 ^l freshly made assay buffer (10 mM HEPES, 130 mM NaCl, 5 mM KCl, 1.8 mM CaCl2, 1.0 mM MgCl2, 5.6 mM glucose, 0.1% BSA, pH = 7.40). For dose-response assays, compounds solubilized in 100% DMSO at 30 mM were serially diluted (1:3) first in 100% DMSO, and 2 intermediate dilutions with assay buffer were used to establish a final top concentration of 3 ^M (in assay plate). Final DMSO concentration was kept constant at 0.1% across plates for all assays. Cortistatin-14 at 30 mM stock concentration was solubilized in HBSS + 0.1% BSA, stored at -20°C in 5 ^L aliquots and discarded after one freeze-thaw cycle. Final concentration of agonist used in both dose-response and single point assays was 1 ^M, prepared in assay buffer. Antagonist equilibrium was established with 30 minute preincubation, followed by no wash, direct addition, and stimulation of agonist for 30 minutes at 37oC. For detection of ^-hexosaminidase activity, assay plates were centrifuged and 5 ^l of cell-free supernatant from each assay well was transferred to a black-walled black-bottomed 384-well plate. Substrate solution (1 mM 4-Methylumbelliferyl N-acetyl-β-D-glucosaminide in citrate buffer, pH=4.5, 15 ^l) was added to each well and plates were incubated for 1 hour at 37oC. The plate was read on an EnVision XCite plate reader for umbelliferone fluorescence intensity (λex=355 nm, λem=460 nm). Background-subtracted data was analyzed using either GraphPad Prism or a custom Python script to calculate IC50 using either Log[Antagonist] vs. response (4 parameter) nonlinear regression (dose-response assays).
13247	1	ADP-Glo Kinase Assay	ATPase activity was measured using the ADP-Glo Kinase Assay following the manufacturers recommended protocol. 
13247	2	Biochemical Activity Assays 	WRN helicase core (8xHis-tev-WRN (480-1251)) was expressed in Sf9 insect cells and purified using HiTrap TALON affinity purification followed by heparin column. The pure fractions were pooled and desalted/buffer exchanged into storage buffer using a HiTrap desalting column. WRN activity assays were performed in a multiplex fashion by monitoring both DNA unwinding using a quenched dsDNA substrate (dsDNArev-Cy3: 5’-Cy3-GAACGAACACATCGGGTACGTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT; dsDNAfwd-FQ: 5’-TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTCGTACCCGATGTGTTCGTTC-IowaBlackFQ-3’, Integrated DNA Technologies) and ATPase activity using an ADP-Glo Kinase Assay (Promega). First, WRN alone was pre-incubated with DMSO or compound of interest for 15 minutes. To initiate the reaction, ATP, dsDNA substrate, and ssDNA competitor (ssDNA_comp: GAACGAACACATCGGCTAC) were added and incubated at room temperature for 20 minutes at which point DNA unwinding activity was monitored by measuring Cy3 fluorescence. After obtaining the reading, the ATPase activity was measured using the ADP-Glo Kinase Assay following the manufacturers recommended protocol. The final reaction conditions were: 12.5nM WRN, 1mM ATP, 15nM dsDNA substrate, 1.5uM ssDNA competitor in reaction buffer composed of 50mM Tris-HCl pH 8.0, 50mM NaCl, 2mM MgCl2, 0.01% v/v Tween-20, 2.5µg/mL poly(dI-dC), 1mM DTT. Compounds were assayed in a 10-point dose response in duplicate at a 1% DMSO final assay concentration.
9479	1	Human Nociceptin/Orphanin FQ Peptide (hNOP) Receptor Binding Assay	The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl, 10 mM MgCl2, 1 mM EDTA (pH 7.4). The final assay volume (250 &#956;l/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences, Inc. Boston, Mass., USA), and either test compound in dilution series or 1 &#956;M unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration, which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd., Buckinghamshire, UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences, Inc. Boston, Mass., USA). After incubation for 60 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter (PerkinElmer Life Sciences/Wallac, Turku, Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]nociceptin-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation, (Cheng and Prusoff, 1973).
9479	2	Human Mu-Opioid Peptide (hMOP) Receptor Binding Assay	The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co., St. Louis, Mo.). The final assay volume (250 &#956;l/well) included 1 nM of [N-allyl-2,3-3H]naloxone as ligand (PerkinElmer Life Sciences, Inc. Boston, Mass., USA), and either test compound in dilution series or 25 &#956;M unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration, which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd., Buckinghamshire, UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences, Inc. Boston, Mass., USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux -counter (PerkinElmer Life Sciences/Wallac, Turku, Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]naloxone-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation, (Cheng and Prusoff, 1973).
9480	1	In Vitro Functional Activity (Agonism) on Human S1P5 Receptors 	The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA clone and CHO AequoScreen recombinant cell-line, catalog n°: ES-593-A, September 2006). Human-S1P5-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P5 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
9480	2	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method A)	The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone and CHO-K1 AequoScreen recombinant cell-line, catalog n°: FAST-0197L, February 2010). Human-S1P1-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P1 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 2 independent experiments were performed in single point&#39;s measurements.
9480	3	In Vitro Functional Activity (Agonism) on Human S1P3 Receptors	The CHO-human-S1P3-Aeqorin assay (CHO/Gal6/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (accession number in GenBank N. Mex._005226 was purchased from UMR cDNA resource Centre (Rolla, Mo.). The pcDNA3.1/hS1P3 construct carrying the mitochondrially targeted apo-Aeqorin and Ga16 protein was transfected in CHO K1 cell-line.Human-S1P3-Aequorin cells express mitochondrial targeted apo-Aequorin. Cells have to be loaded with coelanterazine, in order to reconstitute active Aequorin. After binding of agonists to the human S1P3 receptor the intracellular calcium concentration increases and binding of calcium to the apo-Aequorin/coelenterazine complex leads to an oxidation reaction of coelenterazine, which results in the production of apo-Aequorin, coelenteramide, CO2 and light (&#9633;max 469 nm). This luminescent response is dependent on the agonist concentration. Luminescence is measured using the MicroBeta Jet (Perkin Elmer). Agonistic effects of compounds are expressed as pEC50. Compounds were tested at a 10 points half log concentration range, and 3 independent experiments were performed in single point&#39;s measurements.
9480	4	In Vitro Functional Activity (Agonism) on Human S1P1 Receptors (Method B)	The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog n°: FAST-0197C, December 2009).Recombinant CHO-K1 cells expressing human S1P1, grown to mid-log Phase in culture media without antibiotics, detached, centrifuged and re-suspended. For agonist testing cells are mixed with compound and Forskolin and incubated at room temperature. Cells are lyses and cAMP concentration are estimated, according to the manufacturer specification, With the HTRF kit from CIS-BIO International (cat n°62AM2PEB).Agonistic effects of compounds are expressed as a percentage of the activity of the reference compound at its EC100 concentration, EC50 is calculated and results are reported as pEC50. Compounds were tested at a 10 points half log concentration range duplicated in 1 experiment.
9481	1	Test for Evaluating hERG Inhibition	To a cultured CHO cell strain which stably expresses hERG was added each test compound to adjust the final concentration of DMSO to 0.0135 to 0.5%. The hERG current was measured with QPatch HT (Sophion Inc.), and the concentration at which 50% of the hERG current was inhibited by each test compound (IC50 value; &#956;M) was calculated.
9482	1	WEE1 IC50 Determination	IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1× kinase buffer (# PV6135, Invitrogen, Life Technologies Grand Island, N.Y.) where total reaction volume was 10 &#956;l in low-volume 384-well plates (#4511, Corning). Serially diluted compounds (3-fold) were incubated with WEE1 Enzyme (1 nM) (# PR7373A, Invitrogen, Life Technologies Grand Island, N.Y.) for 10 min, following which a mixture of ATP (10 M) (# A1852, Sigma, St-Louis, Mo.) and fluorescent-PolyGT substrate (200 nM) (# PV3610, Invitrogen, Life Technologies Grand Island, N.Y.) was added and incubated in dark at room temperature for 1 h. After 1 h, 10 &#956;l stop solution containing Terbium labeled antibody (4 nM) (# PV3529, Invitrogen, Life Technologies Grand Island, N.Y.) and EDTA (# E5134, Sigma, St-Louis, Mo.) (20 mM) in TR-FRET dilution buffer (# PV3574, Invitrogen, Life Technologies Grand Island, N.Y.) was added. Readings were taken in a Synergy Neo Plate reader (BioTek, Winooski) at single excitation of 340 nm and Dual emission at 495 nm and 520 nm respectively.
9483	1	Enzymatic Assay 	FGFR3 Enzymatic Assay The inhibitor potency of compounds of the invention was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. A 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated peptide and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/ml BSA, pH 7.8; added fresh 30 mM EDTA and Perkin Elmer Lance Reagents for HTRF at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader.
9484	1	Enzyme Inhibition	p38 MAPK&#945;: The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38&#945; inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) was then added and the kinase reaction was initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture was incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
9484	2	Enzyme Inhibition	p38 MAPK&#947;: The inhibitory activities of compounds of the invention against p38MAPK&#947; (MAPK12: Invitrogen), were evaluated in a similar fashion to that described hereinabove. The enzyme (800 ng/mL, 2.5 &#956;L) was incubated with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solution (2.5 &#956;L, 400 &#956;M) was then added to the enzymes/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, Thermo Scientific).
9484	3	Enzyme Inhibition	GSK 3&#945;: The inhibitory activities of test compounds against the GSK 3&#945; enzyme isoform (Invitrogen), were evaluated by determining the level of activation phosphorylation of the target peptide. The GSK3-&#945; protein (500 ng/mL, 2.5 &#956;L) was mixed with the test compound (2.5 &#956;L at either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL) for 2 hr at RT. The FRET peptide (8 &#956;M, 2.5 &#956;L), which is a phosphorylation target for GSK3&#945;, and ATP (40 &#956;M, 2.5 &#956;L) were then added to the enzyme/compound mixture and the resulting mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
9484	4	Enzyme Inhibition	c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) was incubated with the test compound (either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL, or 0.004 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) were then added to the enzyme/compound mixtures and incubated for 1 hr. Development reagent (protease, 5 &#956;L) was added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
9485	1	SPR binding assay	All SPR measurements with compounds were performed using a Biacore 3000 (GE Healthcare) at 25° C. Biotinylated ASGPR was immobilized typically at 2000-3000 resonance units (Ru) using either SA sensor chips (GE Healthcare) or custom sensor chips with Neutravidin (Pierce Biochemical) immobilized by standard amine coupling to CM5 sensor chips (GE Healthcare). The running buffer was HBS (10 mM HEPES, 150 mM NaCl), 20 mM CaCl2, 0.01% p20, 3% DMSO or 50 mM tris, 150 mM NaCl, 50 mM CaCl2), 0.01% p20, 3% DMSO pH 7.5. Compounds were diluted into running buffer at a concentration of 900 uM and serially diluted 3 fold to 3.7 uM. Compound solutions were injected at 50 ul/min for 1 min followed by a 1 min dissociation in duplicate for each concentration. For the multimeric conjugates (dimers, trimers), the conjugates were diluted in running buffer to concentrations of 100 nM or 10 nM and serially diluted. Conjugates were injected for 2 min and off rates were detected for 300 or 600 sec. After completion of off phase data the compounds were displaced using an injection of 900 uM GalNAc returning the receptor surface to the free state. All data was processed using Scrubber2 (Biologic Software, Inc.) to zero, align, reference and correct for excluded volume effects. KDs were determined by fitting the steady state binding responses for the compounds and single conjugated molecules in Scrubber2. KD for multimeric conjugates showing kinetic responses were processed in Scrubber2 and fit in BiaEval (GE Healthcare) to extract the on and off rate parameters in order to calculate KD. Values reflect standard deviations from multiple experiments.
9486	1	Biochemical Assay 	A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column 1) add 2× rxn buffer to column 1. A KT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l.
9487	1	Cisbio HTRF Binding Assay	1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.  2) Experimental method: Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 &#956;l of diluent or target compound diluted with diluent was added to each well, and then 4 &#956;l of PD-1 protein and 4 &#956;l of PD-L1 protein were added per well, incubated for 15 min at the room temperature; and 10 &#956;l of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h at the room temperature and the fluorescence signals at 665 nm and 620 nm were measured. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
9488	1	LanthaScreen Assay	BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 &#956;M ATP, 100 nM FAM-Srctide peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2, SEQ ID NO: 1, Molecular Devices, RP7595) and 70 pM of human full-length BTK Kinase (expressed in Sf9 insect cells and purified in-house). The assays were performed with and without pre-incubating the inhibitors with the enzyme for 60 minutes before starting the kinase reaction by adding ATP and the peptide substrate. Samples containing enzyme but no inhibitor were included to determine the maximal extent of reaction. Samples containing no enzyme served as the negative control. The kinase reaction mixtures were incubated at room temperature for 60 minutes before stopping the kinase activity by the addition of 15 mM EDTA. The extent of peptide phosphorylation by BTK was detected using a Terbium-conjugated anti-phospho-Tyrosine antibody (Tb-PT66 antibody, Invitrogen # PV3557). Phosphorylation of peptide substrate was measured by determining the ratio of 520/495 nm on an Envision Multi-label Reader (Perkin Elmer) and IC50 values were calculated by fitting the data to a four-parameter equation using XLFit4 (IDBS).
9488	2	TR-FRET LanthaScreen Assay	EGFR: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 20 &#956;M ATP, 100 nM peptide substrate (FITC-C6-KKAEEEEYFELVAKK-NH2 (SEQ ID NO.: 2, American Peptide, #333778) and 600 pM of human EGFR kinase domain (Invitrogen). The assays were performed with and without pre-incubating the inhibitors with the enzyme for 60 minutes before starting the kinase reaction by adding ATP and the peptide substrate. Samples containing enzyme but no inhibitor were included to determine the maximal extent of reaction. Samples containing no enzyme served as the negative control. The kinase reaction mixtures were incubated at room temperature for 60 minutes before stopping the kinase activity by the addition of 15 mM EDTA. The extent of peptide phosphorylation by EGFR was detected using a Terbium-conjugated anti-phospho-Tyrosine antibody (Tb-PT66 antibody, Invitrogen # PV3557). Phosphorylation of peptide substrate was measured by determining the ratio of 520/495 nm on an Envision Multi-label Reader (Perkin Elmer) and IC50 values were calculated by fitting the data to a four-parameter equation using XLFit4 (IDBS).
9489	1	Enzymatic Assay	Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 2 nM DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 2% DMSO at pH 8.0 at 32 degree Celsius. The reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH enzyme was purchased from Novus (cat. no. NBP1-98916). Other chemicals were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a BMG clarion star plate-reading spectrophotometer.
9489	2	Enzymatic Assay	Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in aqueous buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 0.4 &#956;g/mL DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 0.17% DMSO at pH 8.0 at room temperature. Compounds were added via pin transfer or via D300 digital dispenser, and the reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH (full-length, C-terminal MYC/DDK-tag) enzyme was purchased from Origene (cat. no. TP039034). Other chemicals, including leflunomide and teriflunomide, were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a Molecular Devices Spectramax M5 plate-reading spectrophotometer.
9490	1	In Vitro Assay	In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
9490	2	Electrophysiological Assay	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nay&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.1, NaV1.5 and NaV1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete. The voltage is then stepped back to a very negative (Vhold=&#8722;150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
9493	1	Luminescent ATP/ADP Detection Assay	Briefly, the assay method measures ADP formed from EGFR kinase activity using luminescence derived from ATP-Luciferase detection system. Purified EGFR kinase was incubated with different concentrations of test compound in the kinase reaction buffer for 10 min. The reaction was stopped by depleting the unused ATP in the kinase reaction buffer using the depletion buffer for 40 min. The levels of ADP generated during the kinase reaction was detected by measuring the luminescence using the Luciferase system.
9494	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinant human Mcl-1 (C-terminally 6 His tagged Mcl-1 containing residues 171-327) was generated at Amgen Inc (Thousand Oaks, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (San Jose, Calif.). The TR-FRET assay was conducted in a 384-well white OptiPlate (PerkinElmer, Waltham, Mass.) in a total volume of 40 uL. The reaction mixture contained 0.1 nM Mcl-1(171-327), 0.05 nM biotin-Bim (51-76), 0.05 nM LANCE Eu-W1024 Anti-6 His (PerkinElmer), 0.072 nM Streptavidin-Xlent (Cisbio, Bedford, Mass.), and serially diluted test compounds in the binding buffer of 20 mM Hepes, pH 7.5, 150 mM NaCl, 0.016 mM Brij 35, and 1 mM dithiothreitol. Test compounds were pre-incubated with Mcl-1(171-327) and biotin-Bim (51-76) for 60 min before addition of the detection mixture (LANCE Eu-W1024 Anti-6 His and Streptavidin-Xlent). The reaction plates were further incubated overnight and then were read on an Envision multimode reader (PerkinElmer). Fluorescence signals were measured at 620 nm (40-nm bandwidth) and 665 nm (7.5-nm bandwidth) with a 60 is delay after excitation at 320 nm (75-nm bandwidth). The signal ratio at 665/620 nm corresponded to the Mcl-1/Bim interaction and was used in all data analyses. The IC50 values of test compounds were determined from duplicate data by analyzing competition curves using a four-parameter sigmoidal model in GraphPad Prism.
9495	1	Inhibition Enzyme Activity Assay	a. White 384-well plate (Perkin Elmer, Catalog No. 607290/99)b. HEPES buffer: using 1M HEPES buffer (Invitrogen, Catalog No. 15630-080) to prepare 50 ml of 0.5M HEPES buffer by following the steps of taking 25 mL of 1 M HEPES buffer, adding an appropriate amount of ddH2O (re-distilled water), adjusting the pH to 7.8 with NaOH, and finally adding ddH2O to 50 mL.c. Rat plasma: taking blood samples from rat orbit, adding heparin for anticoagulation, centrifuging for 10 minutes at 4000 rpm, taking supernatant plasma as an enzyme source of DPP-IV.d. H-Gly-Pro-AMC (glycine-proline-7-amino-4-methylcoumarin) as the enzyme reaction substrate of DPP-IV, which was synthesized by one of the applicants, was dissolved in DMSO to form 100 mM mother solution.e. 1M MgCl2f. 1.5M NaClg. 10% BASh. DMSO (dimethylsulphoxide)i. ddH2Oj. Test compounds: Omarigliptin as a positive control compound and the compound represented by Formula I of the present application.Following the Sequence Below:1. DPP-IV enzyme reaction buffer was prepared (50 mM HEPES (pH=7.8), 80 mM MgCl2, 150 mM NaCl, 1% BSA), and stored on ice for use:2. The test compounds were diluted with DMSO from 10 mM to 1 mM (100-fold final working concentration), and then diluted gradiently 3 folds in a 96-well plate to obtain 11 concentrations; DMSO was added to the twelfth well as a blank control, and then diluted 25 folds with the enzyme reaction buffer to 4-fold final working concentration for use;3. The DPP-IV enzyme reaction substrate H-Gly-Pro-AMC was thawed and diluted to 160 &#956;M (4-fold working concentration) with the enzyme reaction buffer, and then stored on ice for use:4. The rat plasma was thawed and diluted 100 folds (2-fold working concentration) with the enzyme reaction buffer, and then stored on ice for use;5. 5 &#956;L of the test compounds (4-fold concentration) were added to a 384-well plate, and then 10 &#956;L of the rat plasma (2-fold working concentration) was added, centrifuged and mixed well:6. 5 &#956;L of the enzyme reaction substrate H-Gly-Pro-AMC (4-fold working concentration) was added, centrifuged and mixed well, and then the 384-well plate was sealed with a film:7. The resulting mixture was incubated in an incubator (22-23° C.) for 1 hour:8. The fluorescence signal was determined using FlexStation13 (Molecular devices) microplate reader (excited at 380 nm, and the emission spectrum was determined at 460 nm wavelength);9. IC50 values of the test compounds in inhibiting DPP-IV enzyme activity were determined, i.e., calculating the IC50 values of the compounds using GraFit6 software.
9496	1	Inhibition Assay	Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations are 10 &#956;M [&#947;-33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK).Assays are carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution is prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution is placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate is pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction is stopped after 24 hours by the addition of 30 &#956;L 0.1M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHN0B50) is pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 45 &#956;L of the stopped assay mixture. The plate is washed with 5×200 &#956;L 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) is added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
9497	1	Inhibition Assay	HER2: The compounds&#39; inhibition of target modulation were determined as follows: BT474 cells were sorted in 96 well plates (20000 cells/well) with the DMEM medium containing 10% FBS overnight and then treated with tested compounds at a series of concentrations (3 &#956;M, 0.3 &#956;M, 0.1 &#956;M, 0.03 &#956;M, 0.01 &#956;M, 0.003 &#956;M, 0.001 &#956;M, 0.0001 &#956;M. The plates were incubated for 4 h at 37° C. with 5% CO2 and then the HER2 (Y1248) phosphorylation level of cells in each well were measured with MSD Kit (Phospho-ErbB2 (Tyr1248) Assay Whole Cell Lysate Kit: Cat # K151CLD-3). The assay is a electrochemiluminescent method (MESO SCALE DISCOVERY) for determining both phosphorylated and total HER2 of cells with an MSD SECTOR Imager and then the ratio of p-HER2/total HER2 can be generated by the machine. The percentage of inhibition was got from formula: % inhibition=100×[1&#8722;(ratio of sample well&#8722;ratio of Min ctrl well)/(ratio of Max&#8722;Ratio of Min ctrl well)]. The IC50 values were further calculated as the compounds concentration required for 50% inhibition in best-fit curves using Prism GraphPad 7.0 or Microsoft Xlfit softwar
9497	2	Inhibition Assay	EGFR: The compounds&#39; inhibition of target modulation were determined as follows: NCI-H838 cells were sorted in 96 well plates (20000 cells/well) with the DMEM medium containing 1% FBS overnight and then treated with tested compounds at a series of concentrations (3 &#956;M, 0.3 &#956;M, 0.1 &#956;M, 0.03 &#956;M, 0.01 &#956;M, 0.003 &#956;M, 0.001 &#956;M, 0.0001 &#956;M). The plates were incubated for 4 h at 37° C. with 5% CO2 followed by the stimulation of recombinant hEGF (100 ng/ml for 10 Min, RD, Cat #236-EG) and then the EGFR (Y1068) phosphorylation level of cells in each well were measured with MSD Kit (MULTI-SPOT 96 4-Spot HB Prototype EGFR Triplex ANALYTES: pEGFR(Tyr1068), pEGFR(Tyr1173), Total EGFR (Cat # N45ZB-1). The assay is a electrochemiluminescent method (MESO SCALE DISCOVERY) for determining both phosphorylated and total EGFR of cells with an MSD SECTOR Imager and then the ratio of p-EGFR/total EGFR can be generated by the machine. The percentage of inhibition was used the formula: % inhibition=100×[1&#8722;(ratio of sample well&#8722;ratio of Min ctrl well)/ (ratio of Max Ratio of Min ctrl well)]. The IC50 values were further calculated as the compounds concentration required for 50% inhibition in best-fit curves using Prism GraphPad 7.0 or Microsoft Xlfit software.
9498	1	Competition Binding Assay	Binding affinities of compounds of the invention for the human A2A receptor were determined in a competition binding assay using Scintillation Proximity technology. Thus, 1^&#956;g (^ denotes 1 &#956;g of membrane/well), or preferably 0.25 &#956;g of membranes from HEK293 cells expressing the human A2a receptor were incubated with a compound of the invention at concentrations ranging from 3000 nM to 0.15 nM in a reaction mixture containing also 0.5 nM of a tritiated form of 5-amino-7-[2-phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (the tritiated compound) and 25 &#956;g of wheat germ agglutin-coated yttrium silicate SPA beads for one hour at room temperature with agitation. The beads were then allowed to settle to the bottom of the wells for 1 hr, after which the membrane-associated radioactivity was determined by scintillation counting in a TopCount microplate reader. Ki values were determined using the Cheng-Prusoff equation.
9499	1	Caliper Enzyme Assay	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
9500	1	AlphaScreen Assay	NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreen (&#945;screen) format (Perkin Elmer). All compounds tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. Final DMSO concentration was 1% (v/v) in assays. Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.01% Tween 20. Assays were carried out in 384 well Alphaplates (Perkin Elmer). Incubations consisted of compound, 25 microM Adenosine-5&#8242;-triphosphate (ATP), and 0.2 nM NIK/MAP3K14. Incubations were initiated by addition of GST-tagged NIK/MAP3K14 enzyme, carried out for 1 h at 25° C. and terminated by addition of stop buffer containing anti-phospho-IKK Ser176/180 antibody. Protein A Acceptor and Glutathione-Donor beads were added before reading using an EnVision Multilabel Plate Reader (Perkin Elmer). Signal obtained in the wells containing blank samples was subtracted from all other wells and IC50&#39;s were determined by fitting a sigmoidal curve to % inhibition of control versus Log10 compound concentration.
9501	1	Patch-Clamp Assay	For a description of a Kv1.3 patch-clamp assay, see Grissmer et al., Mol. Pharmacol. 1994, 45, 1227
9502	1	Kinase Lanthascreen Binding Assay	A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent labeled tracer. UP-BTK, consisting of the kinase domain of non-phosphorylated BTK protein (389-659aa), was produced in a Baculovirus/insect cell expression system. Into a 384-well plate, 2 ng of GST-tagged human BTK (389-659aa) was incubated with compound, 50 nM of Tracer 236 and 2 nM anti-GST antibody for 60 minutes using an optimized Lanthascreen assay. After 60 minutes, plates were read at 340 nM and 615/665 nM in an Infinite F500 (Tecan). 
9503	1	Inhibition Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration was incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman's reagent) are added to final concentrations of 100 M each. Absorbance at 405 nm (A405) was recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
9504	1	Pim Enzyme Assay	Pim-1 and Pim-3 kinase assays&#151;20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was pre-incubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light. Pim-2 kinase assay&#151;20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
9505	1	High Throughput Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 &#956;L reaction mixture contained 20 &#956;M ATP, 1 &#956;M biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 &#956;L of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percent inhibition was calculated as follows: % Inhibition=100×(RatioSample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition) where 0.1% DMSO (0% inhibition) was the negative control and 1 &#956;M K252a (100% inhibition) was used as the positive control. 
9506	1	Omnia Assay Protocol for Potency Assessment Against BTK	Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM 3-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 27° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 30-90 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
9507	1	Biochemical Assay	Several 2,4-pyrimidinediamine compounds were tested for the ability to inhibit Syk kinase catalyzed phosphorylation of a peptide substrate in a biochemical fluorescenced polarization assay with isolated Syk kinase. In this experiment, Compounds were diluted to 1% DMSO in kinase buffer (20 mM HEPES, pH 7.4, 5 mM MgCl2, 2 mM MnCl2, 1 mM DTT, 0.1 mg/mL acetylated Bovine Gamma Globulin). Compound in 1% DMSO (0.2% DMSO final) was mixed with ATP/substrate solution at room temperature. Syk kinase (Upstate, Lake Placid N.Y.) was added to a final reaction volume of 20 uL, and the reaction was incubated for 30 minutes at room temperature. Final enzyme reaction conditions were 20 mM HEPES, pH 7.4, 5 mM MgCl2, 2 mM MnCl2, 1 mM DTT, 0.1 mg/mL acetylated Bovine Gamma Globulin, 0.125 ng Syk, 4 uM ATP, 2.5 uM peptide substrate (biotin-EQEDEPEGDYEEVLE-CONH2, SynPep Corporation). EDTA (10 mM final)/anti-phosphotyrosine antibody (IX final)/fluorescent phosphopeptide tracer (0.5× final) was added in FP Dilution Buffer to stop the reaction for a total volume of 40 uL according to manufacturer&#39;s instructions (PanVera Corporation) The plate was incubated for 30 minutes in the dark at room temperature. Plates were read on a Polarion fluorescence polarization plate reader (Tecan). Data were converted to amount of phosphopeptide present using a calibration curve generated by competition with the phosphopeptide competitor provided in the Tyrosine Kinase Assay Kit, Green (PanVera Corporation).
9508	1	Enzyme Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 &#956;M. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).Plates were read on a fluorometer with excitation and emission wavelengths set to 320 nm and 405 nm, respectively. Inhibition constants were obtained by nonlinear regression of the data using the equation (GraphPad Software, Inc., San Diego, Calif.):v=v 0/[1+(I/K&#8242;)]where v is the reaction rate, v0 is the uninhibited reaction rate, I is the inhibitor concentration and K&#8242; is the apparent inhibition constant. 
9509	1	Biochemical Assay	Active Moz protein was expressed as N-terminal fusion protein with a His6 tag in BL21 E. coli cells. Protein purification was performed via nickel-immobilized metal ion affinity chromatography followed by gel filtration. To determine the inhibition of Moz activity by the test compounds, assay reactions were conducted in a volume of 8 &#956;L in 384-well low volume assay plates. The reactions were performed in assay buffer (100 mM Tris-HCl, pH 7.8, 15 mM NaCl, 1 mM EDTA, 0.01% Tween-20, 1 mM Dithiothreitol, and 0.02% m/v chicken egg white albumin). Reactions were set up with 0.4 &#956;M Acetyl coenzyme A (AcCoA), 50 nM N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin), 10 nM MOZ enzyme, and an acetyl-lysine specific antibody (final dilution 1:10000). 11-point dilution series of the compounds of the invention were prepared in DMSO; a volume of 100 nL was transferred using a pin tool into assay plates containing substrates, before adding enzyme to start the reaction. Positive (no compound) and negative (AcCoA omitted) control reactions were included on the same plates and received the same amount of DMSO as the compound treated wells. After adding all reagents, the plates were sealed with adhesive seals and incubated for 90 minutes at room temperature. An additional 4 &#956;L of assay buffer containing AlphaScreen Protein A acceptor beads and Streptavidin donor beads (PerkinElmer, Waltham, Mass.) to a final concentration of 4 &#956;g/mL was then added. After incubation for 2 hours the plates were read using an EnVision 2103 multi label plate reader (PerkinElmer) in HTS AlphaScreen mode. I
9510	1	Radio-Ligand Binding Assay	Compounds described herein were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. # NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. # RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. # T2320). 
9511	1	In Vitro Assay	TABLE V: The basis for the assay is the cleavage of the substrate TBIS-1 (5-FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS4.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS, 5% glycerol) containing hADAMTS4 (0.325 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 60 min at room temperature (Excitation 485 nm, emission 535).
9511	2	In Vitro Assay	TABLE VI: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS4.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH 7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS) containing hADAMTS4 (0.38 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 180 min at 37° C. (Excitation 485 nm, emission 535).
9511	3	In Vitro Assay	TABLE VII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by rnADAMTS-5 (1-564-6H).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM TRIS pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS) containing rnADAMTS-5 (0.5 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 120 min at 37° C. (Excitation 485 nm, emission 535).
9511	4	In Vitro Assay	TABLE VIII: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS-5.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS 1) containing hADAMTS-5 (1 ng/&#956;L, affinity purified, followed by overnight digestion of 6His tag by thrombin and dialysis) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at 37° C. (Excitation 485 nm, emission 530).
9511	5	In Vitro Assay	TABLE IX: The basis for the assay is the cleavage of the substrate TBIS-1 (5 FAM-TEGEARGSVILLK (5TAMRA)K-NH2) (SEQ ID NO: 2) by human ADAMTS-5.For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Hepes pH 7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS) containing hADAMTS-5 (0.63 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate TBIS-1 (10 &#956;L, 4.5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 90 min at 37° C. (Excitation 485 nm, emission 530).
9511	6	In Vitro Assay	TABLE X: The IC50 value for test compounds can be determined in a fluorescent based protease assay.The basis for the assay is the cleavage of the substrate 520 MMP FRET substrate XII by human ADAMTS6.The substrate contains sequence Arg-Pro-Lys-Pro-Tyr-Ala-Nva-Trp-Met-Lys (SEQ ID NO: 7) with attached a fluorescent probe and a quencher. Without ADAMTS6, the emission of the probe is quenched. If the substrate is cleaved by ADAMTS6, the emission of the probe is not quenched anymore. Inhibition of ADAMTS6 activity, will result in a decrease of the signal.To perform the assay, 4 &#956;L of a dilution series of compound in water, starting from 20 &#956;M highest concentration, &#8533; dilution, is added to the wells. 2 ng ADAMTS6 enzyme is diluted in 25 mM Tris pH8.0, 0.05% CHAPS, 2.5 mM CaCl2 in a total volume of 26 &#956;L (final concentration 0.73 nM). The reaction is started by addition of 10 &#956;L of 1 &#956;M 520 MMP FRET Substrate XII (final concentration, diluted in same buffer as described above) and the mixture is incubated at 37° C. for 2 h. The negative control (0% inhibition) is 1% DMSO and the positive control (100% inhibition) is 10 &#956;M Prinomastat in 1% DMSO. After this incubation, cleavage of the substrate is measured using the Envision (Perkin Elmer, exc485/em530).
9511	7	In Vitro Assay	TABLE XI: The basis for the assay is the cleavage of the substrate 5FAM-LAQAVRSSSRK-5TAMRA (SEQ ID NO: 3) (Anaspec, custom 34891) by human TACE (R&D SYSTEMS INC., Cat #930-ADB).For the dose response (10 point), 4 &#956;L of a dilution series of compound (2 mM highest concentration, &#8533; dilution in DMSO further diluted 1 in 10 in water, corresponding to a final highest concentration of 20 &#956;M), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (25 mM Tris pH8.0, 2.5 &#956;M ZnCl2, 0.01% CHAPS) containing TACE (0.05 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration).The reaction is initiated by adding to the assay plate 5FAM-LAQAVRSSSRK-5TAMRA (5 &#956;L, 5 &#956;M, Anaspec) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 75 min at room temperature (Excitation 485 nm, Emission 530).
9511	8	In Vitro Assay	TABLE XII: The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat #AS-27076) by human MMP13 (Chemicon, Cat #CC068).For the dose response (10 point), 4 &#956;L of a dilution series of compound (20 &#956;M highest concentration, &#8533; dilution in water), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 M ZnCl2) containing MMP13 (0.01 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP13 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 h at 37° C.The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at room temperature (Excitation 485 nm, Emission 530).
9511	9	In Vitro Assay	TABLE XIII: The basis for the assay is the cleavage of the substrate 390 MMP FRET Substrate I (Anaspec Cat #AS-27076) by human MMP13 (Enzo Life Sciences, Cat #BML-SE493).For the dose response (10 point), 4 &#956;L of a dilution series of compound (20 &#956;M highest concentration, &#8533; dilution in water), is transferred to 384 well Fluotrac 200 plate (Greiner, cat #781076) and incubated at room temperature for 30 min with a 26 &#956;L buffer solution (50 mM Tris pH7.5, 150 mM NaCl, 10 mM CaCl2, 0.05% CHAPS, 5 &#956;M ZnCl2) containing MMP13 (0.01 ng/&#956;L) (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). Human MMP13 is preactivated by incubated the enzyme in the same buffer complemented with 1 mM freshly prepared p-Aminophenylmercuric acetate (AMPA) for 1 h at 37° C.The reaction is initiated by adding to the assay plate 390 MMP FRET Substrate I (10 &#956;L, 2.5 &#956;M) in the same buffer.Finally, the fluorescence is read on the Envision (Perkin Elmer) after an incubation of 45 min at room temperature (Excitation 485 nm, Emission 530).
9512	1	Receptor Binding Assay	Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl (pH 7.4) supplemented with 0.052 mg/ml bovine serum albumin (Sigma-Aldrich Co. St. Louis. Mo.). The final assay volume (250 &#956;l/well) included 1 nM of [N-allyl-2.3-3H]naloxone as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 25 &#956;M unlabelled naloxone for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 90 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux &#946;-counter (PerkinElmer Life Sciences/Wallac. Turku. Finland). Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]naloxone-specific receptor binding were calculated by nonlinear regression analysis and Ki values were calculated by using the Cheng-Prusoff equation. 
9512	2	Receptor Binding Assay	The hNOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buffer 50 mM TRIS-HCl. 10 mM MgCl2. 1 mM EDTA (pH 7.4). The final assay volume (250 ul/well) included 0.5 nM of [leucyl-3H]nociceptin as ligand (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). and either test compound in dilution series or 1 uM unlabelled nociceptin for determination of unspecific binding. The test compound was diluted with 25% DMSO in H2O to yield a final 0.5% DMSO concentration. which also served as a respective vehicle control. The assay was started by adding wheat germ agglutinin coated SPA beads (GE Healthcare UK Ltd. Buckinghamshire. UK) which had been preloaded with hMOP receptor membranes (PerkinElmer Life Sciences. Inc. Boston. Mass. USA). After incubation for 60 minutes at RT and centrifugation for 20 minutes at 500 rpm the signal rate was measured by means of a 1450 Microbeta Trilux beta-counter.
9513	1	Binding Assay 	Compounds described herein were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. #NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. #RPNQ0010) were added to achieve 50 ag of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. #T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
9514	1	In Vitro Inhibitory Activity Assay	Experimental Purpose:Determination of the IC50 value of the inhibitory activity of the compound against uric acid reabsorption by the HEK293 cell line stably transfected with the URAT-1 (uric acid transporter) gene.Background Introduction:Gout is a progressive disease induced by abnormal elevation of the uric acid level in blood. The coding URAT-1 gene exists in uric acid transporter in renal tubules. Small molecule compounds can promote uric acid excretion by inhibiting the function of this protein, thereby preventing gout attacks.
9515	1	TBDAlphaScreen Binding Assay	Compounds are diluted to a final start concentration of 100 &#956;M and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Access Labcyte Workstation with a Labcyte Echo 550 or 555 accoustic dispenser. For compound a start concentration of 100 &#956;M, 150 nL of compound solution is transferred per well in 11 concentrations in duplicate with serial 1:5 dilutions.The assay is run using a fully automated robotic system in a darkened room below 100 Lux. 10 &#956;L of KRAS  SOS1 GDP mix is added into columns 1-24 to the 150 nL of compound solution (final dilution in the assay 1:100, final DMSO concentration 1%).After a 30 minute incubation time 5 &#956;L of bead mix is added into columns 1-23. Plates are kept at room temperature in a darkened incubator. After a further 60 minute incubation, the signal is measured using a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen specifications from PerkinElmer.
9518	1	Inhibition In Vitro Assay	Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Phosphoacceptor substrate peptide concentration used was 1 &#956;M for all assays and Staurosporine was used as the reference compound for all assays. Specifics of each assay are as described below:CDK2/CyclinA: Enzyme concentration: 0.2 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/CyclinE: Enzyme concentration: 0.28 nM; ATP concentration: 100 &#956;M; Incubation time: 1 hr.CDK4/CyclinD1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 10 hr.
9519	1	Inhibitory Activity Assay	Poly(Glu, Tyr) 4:1 as a substrate for enzyme catalyzed reaction was diluted with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH 7.2-7.4) to g/mL to coat a ELISA plate. The plate was cultured at 37° C. for 12-16 h, washed with 200 &#956;L/well of T-PBS (PBS containing 0.1% of Tween-20) three times, and dried in an oven at 37° C. for 1-2 h. Into the above ELISA plate coated with the substrate, an ATP solution diluted with a reaction buffer (50 mM HEPES, pH 7.4, 50 mM MgCl2, 5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT) was first added at 50 &#956;L/well (concentration of 10 &#956;M). Then, a test compound diluted by 1% DMSO to a suitable concentration was added (10 &#956;L/well), and negative control well and positive compound control well were provided separately. Finally, the reaction was initiated by adding BTK tyrosine kinase protein diluted in 40 &#956;L of reaction buffer.The above reaction system was placed on a shaker (100 rpm) at 37° C. for 1 h, then washed with T-PBS for three times, primary antibody PY99 (Cell Signaling Technology) was added at 100 &#956;L/well, and the reaction was conducted on the shaker at 37° C. for 0.5 h. After the plate was washed with T-PBS, secondary antibody horseradish peroxidase-labeled goat anti-mouse IgG was added at 100 &#956;L/well, and the reaction was conducted on the shaker at 37° C. for 0.5 h. After the plate was washed with T-PBS, 2 mg/mL of OPD developing solution was added at 100 &#956;L/well, and the reaction was conducted in the dark at 25° C. for 1 to 10 minutes. Then the reaction was quenched by adding 2 M H2SO4 at 50 &#956;L/well. The data were read on a wavelength-tunable microplate reader ELISA SPECTRA MAX 190 at a wavelength of 490 nm.
9520	1	Inhibitory Activity Assay	TrkA, TrkB and TrkC:A testing platform for TrkA, TrkB and TrkC kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to three-fold gradient dilution with 100% DMSO with a starting concentration of 1 mM (11 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of reaction buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM NaVO3, 0.001% Tween-20, 0.01% BSA and 1 mM DTT) and mixed homogeneously to be used as a 4* compound. The reaction buffer was used to formulate 2* TrkA, TrkB and TrkC kinases (purchased from Carna Biosciences 08-186, 08-187, 08-197, and the final concentrations thereof were 0.5 nM, 0.1 nM, and 1 nM, respectively) and 4* substrate mixture (ATP+TK peptide) (wherein the final concentrations of ATP were 40 &#956;M, 50 &#956;M, and 20 &#956;M, respectively; TK peptide, HTRF KinEASE -TK, was purchased from Cisbio, and the final concentration thereof was 100 nM) for use. 2.5 &#956;L of the 4* compound was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and then 5 &#956;L of the 2* TrkA, TrkB and TrkC kinases were added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of the 4* substrate mixture was added to initiate the reaction (the total reaction volume is 10 &#956;L). The 384-well plate was placed in an incubator and incubated for 60 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (HTRF KinEASE -TK, purchased from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 1 hr in the incubator, the fluorescence values were read on Envision (purchased from PerkinElmer). 
9520	2	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	JAK2: A testing platform for JAK2 kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to three-fold gradient dilution with 100% DMSO with a starting concentration of 1 mM (11 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of reaction buffer (50 mM HEPES, pH7.4, 10 mM MgCl2, 1 mM EDTA, 0.01% Tween-20, 0.005% BSA and 2 mM DTT) and mixed homogeneously. 2.5 &#956;L of the resulting liquid was then added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and 5 &#956;L of JAK2 kinase (purchased from Carna, and the final concentration thereof is 0.05 nM) was added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of a mixture of ATP (the final concentration is 5 &#956;M) and TK peptide (HTRF KinEASE -TK, purchased from Cisbio, and the final concentration is 100 nM) was added to initiate the reaction (the total reaction volume is 10 &#956;L). The 384-well plate was placed in an incubator to incubate for 120 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labled anti-phosphotyrosine antibody (purchased from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 1 hr in the incubator, the fluorescence values were read on Envision (purchased from PerkinElmer). 
9520	3	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	TrkAG667C: TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells (purchased from Invitrogen) using pIEX-Bac-4 (purchased from Merck), and purified by using Ni column affinity chromatography on AKTA Purifier (GE company). A testing platform for TrkAG667C kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to five-fold gradient dilution with 100% DMSO with a starting concentration of 1 mM (8 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of reaction buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM NaVO3, 0.001% Tween-20, 0.01% BSA and 1 mM DTT) and mixed homogeneously to be used as a 4* compound. The reaction buffer was used to formulate 2* TrkAG667C kinases (the final concentration was 0.5 nM) and a 4* substrate mixture (ATP+TK peptide) (wherein, the final concentration of ATP was 15 &#956;M; TK peptide, HTRF KinEASE -TK, was purchased from Cisbio, and the final concentration thereof was 100 nM) for use. 2.5 &#956;L of the 4* compound was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and then 5 &#956;L of the 2* TrkAG667C kinases were added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of the 4* substrate mixture was added to initiate the reaction (the total reaction volume is 10 &#956;L). The 384-well plate was placed in an incubator to incubate for 60 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (HTRF KinEASE -TK, purchased from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 1 h in the incubator, the fluorescence values were read on Envision (purchased from PerkinElmer). 
9521	1	Biochemical Enzymatic Activity	PDGFR&#945; (D842V):PDGFR&#945; D842V assay at the apparent Michaelis-Menten constant(APPKM) for ATP: In each well of a 384-well assay plate, 7 nM of untreated enzyme was incubated in a total of 13 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (5-FAM-AHA-KKKKDDIYFFFG (SEQ ID NO: 19)-NH2) and 25 &#956;M ATP at 25° C. for 90 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3, Caliper Lifesciences). The plate was read on a Caliper EZReader 2.
9521	2	Biochemical Enzymatic Activity	KIT D816V assay at the APPKM for ATP: In each well of a 384-well assay plate, 0.3 nM of untreated enzyme was incubated in a total of 13 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M SRCtide (5-FAM-GEEPLYWSFPAKKK (SEQ ID NO: 20)-NH2) and 20 &#956;M ATP at 25° C. for 60 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3, Caliper Lifesciences). The plate was read on a Caliper EZReader 2.
9521	3	Biochemical Activity Assay	Kd Determinations. For most assays, including wt KIT kinase, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements were distributed by acoustic transfer (noncontact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions were performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
9522	1	Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;L prepared from 15 &#956;L additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 &#956;M; FL-IPTSPITTTYFFFKKK peptide 1.5 &#956;M; IRAK4, 0.6 nM; and DMSO, 1.6%.
9523	1	Pharmacological Test	It has been found that the compounds of the present invention are associated with inhibition of BACE1 activity. 
9524	1	AlphaScreen Assay	Example A1: The kinase reaction was conducted in 384-well REMP plate from Thermo Fisher Scientific in a final volume of 40 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K assays were carried out at room temperature in 50 mM HEPES, pH 7.4, 5 mM MgCl2, 50 mM NaCl, 5 mM DTT and CHAPS 0.04%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 1.2 nM PI3K&#948; were incubated for 20 min. 10 &#956;L of reaction mixture was then transferred to 5 &#956;L 50 nM biotinylated I(1,3,4,5)P4 in quench buffer: 50 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 5 mM DTT, 0.1% Tween-20, followed with the addition of 10 &#956;L AlphaScreen&#153; donor and acceptor beads suspended in quench buffer containing 25 nM PI(3,4,5)P3 detector protein. The final concentration of both donor and acceptor beads is 20 mg/ml. After plate sealing, the plate was incubated in a dark location at room temperature for 2 hours. The activity of the product was determined on Fusion-alpha microplate reader (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
9524	2	Scintillation Proximity Assay	Example A3: The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 LM ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). 
9524	3	Enzyme Assay	Example A2: The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture was prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions were initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM respectively. Reactions were incubated for 180 min and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution was then transferred to 96-well Millipore MultiScreen IP 0.45 m PVDF filter plate (The filter plate was prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate was aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate was air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) was then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software. Compounds having and IC50 value of 10 &#956;M or less are considered active. See Table 1 for data related to compounds of the invention.
9516	1	Fluorescence Polarization Assay	Bcl-2 and Bcl-xL Inhibition: Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluorescent probes in FP assays for Bcl-2, Bcl-xL, and Md-1, respectively. By monitoring the total fluorescence polarization values of mixtures composed of fluorescent probes at fixed concentrations and proteins with increasing concentrations up to the full saturation, the Kd values of Flu-BIM to Bcl-2, Flu-BAK to Bcl-xL and Flu-BID to Md-1 were determined to be 0.55±0.15, 4.4±0.8 and 6.9±0.9 nM, respectively. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific). To each well, 1 nM of Flu-BIM, or 2 nM of Flu-BAK or 2 nM of Flu-BID and increasing concentrations of Bcl-2, or Bcl-xL, or Md-1 were added to a final volume of 125 &#956;l in the assay buffer (100 mM potassium phosphate, pH 7.5, 100 &#956;g/ml bovine &#947;-globulin, 0.02% sodium azide, Invitrogen, with 0.01% Triton X-100 and 4% DMSO). Plates were mixed and incubated at room temperature for 1 hour with gentle shaking to assure equilibrium. The polarization values in millipolarization units (mP) were measured at an excitation wavelength of 485 nm and an emission wavelength of 530 nm.
9517	1	Biochemical Activity Assay	The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 &#956;l of PDHK2 (human, rec, Carna Bioscience, 10 ng/&#956;l-137 nM final concentration) and PDC (isolated from porcine heart, Sigma-Aldrich, 20 mU/ml final concentration) are incubated in the absence or presence of the test compound (10 dilution concentrations) for 30 min at room temperature in kinase buffer (15 mM potassium phosphate buffer, pH 7.0, 60 mM KCl, 1.5 mM DTT, 2.5 mM MgCl2, 0.0125% (w/v) BSA, 0.125% Pluronic F-68). The kinase reaction is started by the addition of 4 l ATP substrate solution (fc 5 &#956;M in kinase buffer). After 30 min incubation at 37° C. 40 &#956;l of PDC reaction solution (100 mM Tris/HCl, pH 7.8, 0.5 mM EDTA, 1 mM MgCl2, 50 mM NaF, 0.25 mM Coenzyme A, 5 mM pyruvate, 1 mM NAD, 5 mM DTT, 1 mM thiamine pyrophosphate) is added. The first fluorescence measurement is performed on a Perkin Elmer Envision (Exc 340 nm, Em 450 nm). The reaction is incubated for 45 min at room temperature. Afterwards a second fluorescence measurement is performed and the PDC activity is calculated by the difference between both measurements. As full value for the PDHK2 assay the inhibitor-free PDHK2 reaction is used. The pharmacological zero value used is DCA (Sigma-Aldrich) in a final concentration of 3 mM. The inhibitory values (IC50) were determined using either the program Symyx Assay Explorer or Condosseo from GeneData.
9517	2	Isothermal Titration Calorimetry	ITC measurements were performed with a VP-ITC micro calorimeter (Microcal, LLC/GE Healthcare Bio-Sciences AB, Uppsala, Sweden). In general titrations were performed by titrating the protein (50 &#956;M) to the test compound (5 &#956;M) in 12 &#956;l injections. All binding experiments were carried out at 30° C. In general the test compounds were diluted form DMSO stock solutions into the measurement buffer with a maximum final concentration of 1% DMSO. The measurement buffer was 20 mM HEPES, 135 mM KCl, 1 mM TCEP, 2 mM MgCl2, 15 mM NaH2PO4, pH 7.5. The human PDHK2 (12-407) was produced in E. coli as his-tagged protein and purified by affinity chromatography. The tag was removed by side specific proteolysis. Before titration the protein buffer was changed to the measurement buffer containing the same DMSO concentration as the test compound dilution. ITC data analysis was performed using Origin 7 calorimetry software from the same supplier. For most measurements a binding model of one binding site was assumed. According to the applied mathematical model it is possible to calculate the binding constant (KA), the observed binding enthalpy (&#916;Hobs) as well as the stoichiometry (N) of the formed complex. 
9525	1	Measurement of Inhibitory Effect on FGFR2 Kinase Activity	When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences, Inc.) was used as a substrate. The purified recombinant human FGFR2 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration that was 20 times higher than the final concentration. Next, the purified human FGFR2 protein, FL-Peptide 22 (final concentration: 1.5 &#956;M), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 75 &#956;M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA (final concentration: 30 mM) diluted with a separation buffer (Caliper Life Sciences, Inc.) was added thereto to terminate the kinase reaction. Finally, using a LabChip (registered trademark) 3000 system (Caliper Life Sciences, Inc.; excitation wavelength: 488 nm, detection wavelength: 530 nm), phosphorylated peptides and non-phosphorylated peptides were separated, and the amount of each peptide was measured. The level of phosphorylation was determined from the quantitative ratio. The compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9526	1	Cell adhesion assay to SW480	The blockade of integrin alpha 5 beta 1 provides a novel target for the treatment of asthma. As shown in FIGS. 1A and 1B, delivery of ATN-161, a low affinity yet specific inhibitor of alpha5beta1, reduces the magnitude of airway narrowing in vivo in mice sensitized and challenged with ovalbumin, a widely used model of allergic asthma. In the same model, it was found that mice with a specific deletion of this integrin in smooth muscle also have reduced airway narrowing. The intracellular actin-myosin cross-bridging pathway serves as a useful target. Modulating the interactions of the cell and the extracellular matrix impairs the ability of the smooth muscle to transmit tension effectively. The blockade of integrin alpha 5 beta 1 was tested in vitro with human cell lines as well as in vivo with a mouse model of airway hyperresponsiveness. Novel compounds as described herein, and identified in Table 1, have been synthesized and tested in vitro for their ability to inhibit cell adhesion mediated by alpha5beta1 (adhesion of the colon carcinoma cell line SW480 to fibronectin, a response that is entirely dependent on binding of alpha5beta1 to fibronectin).
9526	2	Cell adhesion assay to Hamster Ovary	The blockade of integrin alpha 5 beta 1 provides a novel target for the treatment of asthma. As shown in FIGS. 1A and 1B, delivery of ATN-161, a low affinity yet specific inhibitor of alpha5beta1, reduces the magnitude of airway narrowing in vivo in mice sensitized and challenged with ovalbumin, a widely used model of allergic asthma. In the same model, it was found that mice with a specific deletion of this integrin in smooth muscle also have reduced airway narrowing. The intracellular actin-myosin cross-bridging pathway serves as a useful target. Modulating the interactions of the cell and the extracellular matrix impairs the ability of the smooth muscle to transmit tension effectively. The blockade of integrin alpha 5 beta 1 was tested in vitro with human cell lines as well as in vivo with a mouse model of airway hyperresponsiveness. Novel compounds as described herein, and identified in Table 1, have been synthesized and tested in vitro for their ability to inhibit cell adhesion mediated by alphavbeta1 (adhesion of Chinese Hamster Ovary cells transfected with human alphav to the latency associated peptide of transforming growth factor beta, a response that is entirely dependent on binding of alphavbeta1 to LAP).
9527	1	G-Protein Assay	G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&#956;, MOR) Arrestin CHO-K1 cell line using the Dynamic2 cAMP Kit from Cisbio. The EMAX values of the chemiluminescent signal are all normalized to DAMGO, which is defined as 100%.
9527	2	beta-Arrestin Assay	The DISCOVERX PATHHUNTER &#946;-Arrestin assay is used to measure &#946;-arrestin-2 activity. The technology is based on Enzyme Fragment Complementation (EFC) with &#946;-galactosidase (&#946;-Gal) as the reporter. The enzyme is split into two inactive complementary portions (EA for Enzyme Acceptor, and ED for Enzyme Donor) expressed as fusion proteins in the cell. EA is fused to &#946;-arrestin-2, and ED is fused to the C-terminus of the GPCR of interest. When a ligand binds and the GPCR is activated, &#946;-arrestin-2 is recruited to the receptor resulting in an ED/EA complementation, restoring &#946;-Gal activity, which is measured using chemiluminescence. For this assay, the PathHunter human OPRM1 (&#956;, MOR) Arrestin CHO-K1 cell line was used. The EMAX values of the chemiluminescent signal were all normalized to DAMGO, which is defined as 100%.
9528	1	USP7 Assay A (Ubitquin-Rhodamine 110 Assay)	Each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced; Sigma # G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, # G7516-25G), and 0.01% Triton X-100 (Sigma, # T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP7, construct USP7 (208-1102) 6*His, Viva Biotech) in the assay was 62.5 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems # U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP7 for 30 min and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 min at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
9529	1	In vitro Bromodomain Inhibition Assay	To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (H4K5/8/12/16; AnaSpec #64989-025) with the target using the AlphaLISA technology (Perkin-Elmer). Specifically, in a 384 well OptiPlate, BRD4(BD1) (200 nM final) is pre-incubated with either DMSO (final 1.0% DMSO) or a compound dilution series in DMSO. All reagents are diluted in assay buffer containing 50 mM HEPES (pH 7.4), 100 mM NaCl, 0.1% (w/v) BSA, and 0.05% (w/v) CHAPS. After a 30 minute incubation at room temperature, H4 peptide is added (200 nM final) and the reaction is incubated an additional 30 minutes at room temperature. Alpha streptavidin donor beads and AlphaLISA nickel chelate acceptor beads are then added to a final concentration of 10 &#956;g/mL each. After one hour, equilibration plates are read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
9530	1	LSD1 In Vitro Activity Assay	Screening method: lysine-specific demethylase 1 (LSD1) activity screeningInstrument: microplate reader Envision (PerkinElmer, USA).MATERIALS: Human recombinant LSD1, the LSD1 protein fragment fused with GST (aa158-end) was expressed and purified by E. coli expression system by the laboratory in house.LSD1 Activity Detection Kit LANCE Ultra LSD1 Histone H3-Lysine 4 Demethylase Assay was purchased from Perkin Elmer;The H3 polypeptide substrate ARTK(me1)QTARKSTGGKAPRKQLA-GG-K(Biotin)-NH2 was synthesized by Jill Biochemical Company.Principle: LSD1 specifically removes the methylation modification at the K4 lysine on the H3 polypeptide substrate, making it a substrate without methylation modification. The method employs a histone H3 methylated polypeptide (1-24) as a substrate to introduce a biotin label in the C segment of the substrate. LSD1 initiates the reaction with the participation of FAD to remve the methylation modification on the substrate H3K4. The Eu-labeled H3K4 background antibody binds to the substrate by antigen-antibody reaction, while the streptavidin-labeled receptor is bounded by the specific interaction of streptavidin and biotin. This allows the Eu-labeled donor to interact with the streptavidin-labeled receptor. In fluorescence resonance energy transfer, when two fluorophores are brought close due to biomolecular interaction, part of the energy captured by the cryptate at the time of excitation will be released, the emission wavelength of which is 620 nm; the other part of the energy is transferred to the receptor (acceptor), the emission wavelength of which is 665 nm. The 665 nm emission is only produced by FRET caused by the donor. Therefore, when biomolecules interact, there are two excitation lights at 620 nm and 665 nm; when there is no interaction, there is only one excitation light at 620 nm. The LSD1 demethylation activity was reflected by detecting the ratio of the fluorescence signals at the two emission wavelengths of 665 nm and 620 nm. Meanwhile, a blank control was set to determine the strength of the enzyme activity. ORY-1001 and GSK-2879552 were employed as positive inhibitors in the experiment.Sample processing: Samples were dissolved in DMSO, stored at low temperature, and the concentration of DMSO in the final system was controlled within a range that won&#39;t affect the activity of the assay.The activity of the sample was tested by primary screening at a single concentration, for example 20 &#956;M. For samples exhibiting activity under certain conditions, for example, the inhibition rate (% Inhibition) being greater than 50, the active dose-dependent relationship, i.e., the IC50 value, was obtained by nonlinearly fitting the sample activity vs sample concentration, the software used for the calculation was Graphpad Prism 5, the model used for fitting was sigmoidal dose-response (variable slope), and for most inhibitor screening models, the bottom and top of the fitted curve were set to 0 and 100. 
9530	2	MAOA and MAOB In Vitro Activity Experiments	Screening method: Monoamine oxidase MAOA and MAOB activity screeningInstrument: microplate reader Envision (PerkinElmer, USA).MATERIALS: Human recombinant MAOA, purchased from Promega; human recombinant MAOB, purchased from Sigma;The MAOA and MAOB activity assay kit MAO-Glo was purchased from Promega. Principle: This method uses a specific luciferin derivative as a substrate, MAOA or MAOB can catalyze the conversion of substrate to luciferin methyl ester, and the product, luciferin methyl ester can produce fluorescence under the action of luciferase, thus reflecting the activity of MAOA or MAOB by the intensity of the fluorescent signal. Meanwhile, a blank control was set to determine the strength of the enzyme activity. Tranylcypromine (TCP) was employed as a positive inhibitor in the experiment.Sample processing: Samples were dissolved in DMSO, stored at low temperature, and the concentration of DMSO in the final system was controlled within a range that won&#39;t affect the activity of the assay.The activity of the sample was tested by primary screening at a single concentration, for example 100 &#956;M. For samples exhibiting activity under certain conditions, for example, the inhibition rate (% Inhibition) being greater than 50, the active dose-dependent relationship, i.e., the IC50 value, was obtained by nonlinearly fitting the sample activity vs the sample concentration, the software used for the calculation was Graphpad Prism 5, the model used for the fit was sigmoidal dose-response (variable slope), and for most inhibitor screening models, the bottom and top of the fitted curve were set to 0 and 100.
9531	1	Ligand Binding Assay (LBA)	hNaV1.7 binding affinities were determined with a filtration binding assay using purified membranes from HEK293 cells stably expressing hNaV1.7. HEK293 cells from a 10-stack cell culture flask (approximately 1010 cells) were dissociated, frozen, and stored at &#8722;80° C. To prepare membranes, the frozen cell pellet was thawed and suspended in 6 ml hypotonic lysis buffer (50 mM HEPES, 0.1% mammalian protease inhibitor cocktail). 1 ml of resuspended cells was added to an additional 6 ml of lysis buffer and homogenized with 30 strokes of a tight pestle in a glass homogenizer. Homogenate was centrifuged at 1000×g for 10 minutes at 4° C. and the resulting supernatant was further centrifuged at 38,500×g for 60 minutes at 4° C. The resulting pellet was resuspended in binding buffer (50 mM HEPES, 130 mM NaCl, 5.4 mM KCl, 0.8 mM MgCl2, 5 mM glucose, pH 7.4) and needle homogenized with a 25 gauge needle. Protein concentration was determined with a BCA protein assay. Purified membranes were aliquoted, flash frozen in an ethyl alcohol dry ice bath, and stored at &#8722;80° C. To measure displacement of a radiolabeled ligand, 50 &#956;g of purified hNaV1.7 HEK cell membranes were incubated with test compounds (eight concentrations, in duplicate) and 0.5 nM [3H] labeled radioligand in a 96 well plate for 24 hours at room temperature on a shaker. The total binding reaction volume was 250 &#956;l, consisting of 200 &#956;l purified hNaV1.7 HEK cell membranes, 25 &#956;l test compound, and 25 &#956;l radioligand. Non-specific binding was defined by 20 &#956;M of a reference hNaV1.7 inhibitor. Binding reactions were terminated by filtration through GF/B filters presoaked in 0.5% polyethyleneamine. Filters were washed 5 times with 2 ml each of 4° C. wash buffer (50 mM Tris-HCl, pH 7.4 at 4° C.). Bound radioactivity captured on the filters was counted on a liquid scintillation counter. Specific binding, expressed as % inhibition, was fit with Graphpad Prism software to determine binding IC50 values.
9532	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
9533	1	Radioligand Binding Assay	Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific binding was determined in the presence of unlabeled DOI at a saturating concentration of 10 &#956;M. Competition experiments utilized 5-HT2 receptor expressing HEK293 cell membranes obtained as described in Example 3 (15-25 &#956;g membrane protein/well) and radioligand at final assay concentrations of 0.4 to 0.6 nM. Experiments comprised addition of 95 &#956;L of assay buffer (20 mM HEPES, pH 7.4, 10 mM MgCl2), 50 &#956;L of membranes, 50 &#956;L of radioligand stock, and 5 &#956;L of test compound diluted in assay buffer to 96-well microtiter plates, which were then incubated for 1 h at room temperature. Assay incubations were terminated by rapid filtration through PerkinElmer F/C filtration plates under reduced pressure using a 96-well Packard filtration apparatus, followed by washing three times with ice cold assay buffer. Plates were then dried at 45° C. for a minimum of 2 h. Finally, 25 &#956;L of BetaScint scintillation cocktail was added to each well and the plates were counted in a Packard TopCount scintillation counter. In each competition study, test compounds were dosed at ten concentrations with triplicate determinations at each test concentration.
9534	1	Aequorin Assay with Human NK-3 Receptor	Changes in intracellular calcium levels are a recognized indicator of G protein-coupled receptor activity. The efficacy of compounds of the invention to inhibit NKA-mediated NK-3 receptor activation was assessed by an in vitro Aequorin functional assay.Chinese Hamster Ovary recombinant cells expressing the human NK-3 receptor and a construct that encodes the photoprotein apoaequorin were used for this assay. In the presence of the cofactor coelenterazine, apoaequorin emits a measurable luminescence that is proportional to the amount of intracellular (cytoplasmic) free calcium.Antagonist TestingThe antagonist activity of compounds of the invention is measured following pre-incubation (3 minutes) of the compound (at various concentrations) with the cells, followed by addition of the reference agonist (NKA) at a final concentration equivalent to the EC50 (3 nM) and recording of emitted light (FDSS 6000 Hamamatsu) over the subsequent 90-second period. The intensity of the emitted light is integrated using the reader software. Compound antagonist activity is measured based on the concentration-dependent inhibition of the luminescence response to the addition of Neurokinin A.
9534	2	Competitive Binding Assays	The affinity of compounds of the invention for the human NK-3 receptor was determined by measuring the ability of compounds of the invention to competitively and reversibly displace a well-characterized NK-3 radioligand in a concentration-dependent manner.3H-SB222200 binding competition assay with human NK-3 receptorThe ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki&#9552;IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
9534	3	Human NK-1 assay	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat #NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
9534	4	Human NK-2 assay	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat #NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaC2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC5/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
9534	5	hERG Inhibition Assay	The human ether-a-go-go related gene (hERG) encodes the inward rectifying voltage gated potassium channel in the heart (Igr) which is involved in cardiac repolarisation. IK r current inhibition has been shown to elongate the cardiac action potential, a phenomenon associated with increased risk of arrhythmia. IK r current inhibition accounts for the vast majority of known cases of drug-induced QT-prolongation. A number of drugs have been withdrawn from late stage clinical trials due to these cardiotoxic effects, therefore it is important to identify inhibitors early in drug discovery.The hERG inhibition study aims at quantifying the in vitro effects of compounds of the invention on the potassium-selective IK r current generated in normoxic conditions in stably transfected HEK 293 cells with the human ether-a-go-go-related gene (hERG).Whole-cell currents (acquisition by manual patch-clamp) elicited during a voltage pulse were recorded in baseline conditions and following application of tested compounds (5 minutes of exposure). The concentrations of tested compounds (0.3 &#956;M; 3 &#956;M; 10 &#956;M; 30 &#956;M) reflect a range believed to exceed the concentrations at expected efficacy doses in preclinical models.The pulses protocol applied is described as follow: the holding potential (every 3 seconds) was stepped from &#8722;80 mV to a maximum value of +40 mV, starting with &#8722;40 mV, in eight increments of +10 mV, for a period of 1 second. The membrane potential was then returned to &#8722;55 mV, after each of these incremented steps, for 1 second and finally repolarized to &#8722;80 mV for 1 second.The current density recorded were normalized against the baseline conditions and corrected for solvent effect and time-dependent current run-down using experimental design in test compound free conditions.Inhibition curves were obtained for compounds and the concentrations which decreased 50% of the current density determined in the baseline conditions (IC50) were determined. All compounds for which the IC50 value is above 10 &#956;M are not considered to be potent inhibitors of the hERG channel whereas compounds with IC50 values below 1 &#956;M are considered potent hERG channel inhibitors.
9535	1	HBV DNA Quantification Assay	A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in DMEM growth medium, Dulbecco&#39;s Modified Eagle Medium without sodium pyruvate (Life Technologies, Rockville, Md.) supplemented with 10% FBS (Thermo Scientific, Waltham, Md.), 1% penicillin/streptomycin (Life Technologies, Rockville, Md.) and 2 mM L-glutamine (Life Technologies, Rockville, Md.) in T175 flasks. Cells were infected with HBV AD38 viral particles (Texcell, Frederick, USA) at 4000 genome equivalents per cell. After allowing viral infection to take place for 4 days, the infected cells were harvested from the flasks by trypsinization, washed twice with OptiMEM (Life Technologies, Rockville, Md.) and re-suspended in DMEM containing 2% FBS and 1% DMSO at a density of 0.25E6 cells/ml. Infected cells were seeded on 384 well collagen coated plates (Greiner, Austria) at a density of 20,000 cells/well containing serially diluted compounds of the present disclosure or DMSO (0.5%) in a final volume of 80 &#956;l. The assay plates were incubated for a period of 5 days and the antiviral activity of the test compounds were assayed by detecting the presence of HBV DNA in the culture supernatant using the QuantiGene 2.0 nucleic acid quantification kit (Affymetrix, Santa Clara, Calif.).The culture supernatant was harvested and treated with lysis buffer containing Proteinase K (Affymetrix, Santa Clara, Calif.). The supernatant was incubated with HBV viral DNA specific probes (Affymetrix, Santa Clara, Calif.) for 30 minutes at 55° C. This was followed by addition of 0.2M NaOH for 30 minutes at room temperature to denature the DNA, followed by addition of Neutralization buffer (Affymetrix, Santa Clara, Calif.). The resulting lysed and neutralized supernatant was then added to QuantiGene 2.0 384 well plates coated with capture oligonucleotides and incubated overnight at 55° C. The HBV specific probe set consists of Capture Extender oligonucleotides (CE&#39;s) and blocking probes. Following the overnight incubation, the wells were incubated for one hour sequentially with a Pre-Amplifier, Amplifier and Labeled probes conjugated to alkaline phosphatase with a wash step between incubations. After the final wash step, the alkaline phosphatase substrate (Luminol APS5) was added and the resulting luminescence signal was read in an EnVision Multilabel Plate Reader (PerkinElmer, Santa Clara, Calif.). The EC50 values were calculated from the fit of the dose-response curves to a four-parameter equation. All EC50 values represent geometric mean values of a minimum of four determinations.
9536	1	OGA Enzyme Assay	The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-&#946;-N-acetyl-D-glucosaminide (FD-GlcNAc, Kim, Eun Ju; Kang, Dae Ook; Love, Dona C.; Hanover, John A. Carbohydrate Research (2006), 341(8), 971-982) is used as a substrate at a final concentration of 6.7 &#956;M. This fluorogenic substrate becomes fluorescent upon cleavage by OGA, so that the enzyme activity can be measured by the increase in fluorescence detected at 535 nm (excitation at 485 nm).The assay buffer is prepared to give a final concentration of 50 mM H2NaPO3-HNa2PO3, 0.01% bovine serum albumin and 0.01% Triton X-100 in water, at pH 7. Compounds to be tested are diluted in pure dimethyl sulfoxide (DMSO) using ten point concentration response curves. Maximal compound concentration in the reaction mixture is 30 or 1 &#956;M. Compounds at the appropriate concentration are pre-incubated with OGA enzyme for 30 minutes before the reaction is started by the addition of substrate. The final enzyme concentration is 3.24 nM or 0.5 nM, for the 30 or 1 &#956;M maximal compound concentration, respectively. Reactions are allowed to proceed for 60 min at room temperature. Then, without stopping the reaction, fluorescence is read. IC50 values are calculated by plotting the normalized data vs. log of the compound and fitting the data using a four parameter logistic equation.
9537	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. The data collected from each well was fit to a straight line, and the resulting rates were used to calculate percent of control. Percent of control was plotted against compound concentration, and IC50 values were determined using a four-parameter fit.
9538	1	Biochemical Assay	A master mix minus Syk enzyme is prepared containing 1X Cell Signaling kinase buffer (25 mM Tris-HCl, pH 7.5, 5 mM beta-glycerophosphate, 2 mM dithiothreitol, 0.1 mM Na3VO4, 10 mM MgCl2), 0.5 &#956;M Promega PTK Biotinylated peptide substrate 1, 0.01% casein, 0.01% Triton-X100, and 0.25% glycerol. A master mix plus Syk enzyme is prepared containing 1X Cell Signaling kinase buffer, 0.5 &#956;M PTK Biotinylated peptide substrate 1, 0.01% casein, 0.01% Triton-X100, 0.25% glycerol and 0.4 ng/well Syk enzyme. Syk enzyme is purchased from Cell Signaling Technologies, expressed in baculovirus and is an N-terminally GST-tagged full length human wildtype Syk (accession number NM-00377).The Syk protein is purified in one step using glutathione-agarose. The purity of the final protein preparation is assessed by SDS-PAGE and Coomassie staining. A solution of 200 &#956;M ATP is prepared in water and adjusted to pH 7.4 with 1N NaOH. A quantity of 1.25 &#956;L of compounds in 5% DMSO is transferred to a 96-well area Costar polystyrene plate.Compounds are tested singly and with an 11-point dose-responsive curve (starting concentration is 10-1 &#956;M; 1:2 dilution). A quantity of 18.75 &#956;L of master mix minus enzyme (as a negative control) and master mix plus enzyme is transferred to appropriate wells in 96-well area Costar polystyrene plate. 5 &#956;L of 200 &#956;M ATP is added to that mixture in the 96-well area Costar polystyrene plate for final ATP concentration of 40 &#956;M.
9539	1	Binding Assay	The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 14 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). For selectivity assays, 40 nM Bcl-2 (residues 1-207A96T,G110R, &#916;35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer.
9540	1	Biological Activity Assay	IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the biological activities. In order to support that this invention described herein, the following biological assays are set forth. Examples are for illustrative purposes only and are not met to be limiting.  Please see paper for the assay method.
9540	3	Radioisotope Filter Binding Assay	IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ATP (33P-gamma-ATP). The reaction mixtures are then spotted onto filter papers which bind the radioisotope labeled catalytic product. Unreacted phosphate is removed via washing. The reagents used include base reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. The reaction procedure include the following steps: (1) prepare indicated substrate in freshly prepared base reaction buffer, (2) deliver any required cofactors to the substrate solution above, (3) deliver indicated kinase into the substrate solution and gently mix, (4) deliver compounds in DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 20 minutes at room temperature, (5) deliver 33P-ATP (specific activity 10 &#956;Ci/&#956;L) into the reaction mixture to initiate the reaction, (6) incubate kinase reaction for 2 hours at room temperature, (7) reactions are spotted onto P81 ion exchange paper, (8) detect kinase activity by filter-binding method.
9540	2	Kinase Assay	Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
9540	4	Kinase Binding Assay CaPBA	IC50 Table 21: This assay is based on a competitive binder which can interact with a latent pocket formed only in the inactive state of the kinase. A fluorescent probe is used to bind to the inactive form of the enzyme and is displaced competitively by a binder upon shining light.
9540	5	Radiometric 33PanQinaseR Assay	IC50 Table 22: This assay referred to as FlashPlate-based Protein Kinase Assay uses recombinant protein kinase and ATP concentration corresponding to the apparent ATP-Km of the respective kinase. Testing of inhibitors is done at app. ATP Km.
9541	1	TR-FRET Binding Assay 	A Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) assay that measures the displacement of the 10mer-Thr-FAM probe in response to compound treatment was performed for compounds wherein the IC50 from FPA assay using 10mer-Thr-FAM was below the lower assay IC50 limit 1 nM. Excess 10mer-Thr-FAM probe was utilized with His-tagged WDR5 in conjunction with a commercial anti-His antibody containing a Terbium label. The LanthaScreen Elite Tb-anti-HIS Antibody from ThermoFisher Scientific was used for this purpose. This Th-anti-HIS has an excitation/emission of 340 nm and 490 nm, respectively. The 10mer-Thr-FAM probe when bound to WDR5 will undergo a FRET interaction with the Tb-anti-HIS and emit at 520 nm. The ratio of the 520 and 495 signals are then utilized to generate a dose-response curve to calculate an IC50 value. By virtue of FRET there is little to no background fluorescence interference from 10mer-Thr-FAM probe allowing an excess of the probe to be used permitting an increase in the lower limit of the calculated Ki when testing against highly potent inhibitors with Ki<<1 nM. WDR5-His Tag (A23, residues 24-334) is expressed and purified in our lab in sufficient quantities for screening. 10mer-Thr-FAM peptide is used anywhere from 15 to 150 nM depending on the window of sensitivity required. WDR5-His tag protein is used at 2 nM. A source plate is prepared using an Echo Liquid Handler, which distributes the compounds to the assay plate (white, flat-bottom; OptiPlate) in a 10-point, 3-fold dilution schemes with a top concentration of either 5 or 20 &#956;M depending on the anticipated potency of the compounds, in a final volume of 20 &#956;L. A final target (WDR5)/Tb-Ab concentration of 2 nM/1 nM is dispensed from appropriate stock solutions, respectively. The final DMSO concentration in each well of the assay plate is 1% or lower. As before the plate is covered, shielded from light, and incubated for 60 minutes at room temperature with rocking. Anisotropy is then measured on a Biotek Cytation 3 at excitation wavelength of 340 nm, and emission wavelengths of 495 nm and 520 nm. Working buffer conditions (pH 7.0) are similar to that in FPA above. TR-FRET signal is plotted and IC50 and Ki values are calculated in the same manner as the fluorescence polarization anisotropy based competition assays.
9542	1	In Vitro Assay	The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incubated with different concentrations of test compounds in denaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol) at room temperature for 30 min. Luciferase protein was added to denaturation mix and incubated at 50° C. for 8 min. The final concentration of HSP90 and luciferase in denaturation mixture were 0.375 &#956;M and 0.125 &#956;M respectively. A 5 &#956;l sample of the denatured mix was diluted into 25 &#956;l of renaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol, 0.5 mM ATP, 2 mM DTT, 5 mM KCl, 0.3 &#956;M HSP70 and 0.15 &#956;M HSP40). The renaturation reaction was incubated at room temperature for 150 min, followed by dilution of 10 &#956;l of the renatured sample into 90 &#956;l of luciferin reagent (Luclite, PerkinElmer Life Science). The mixture was incubated at dark for 5 min before reading the luminescence signal on a TopCount plate reader (PerkinElmer Life Science).
9542	2	Competition Binding (Fluorescence Polarization) Assay	A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis for the fluorescence polarization assay. A free and fast-tumbling FITC labeled GM emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When GM is bound to HSP90, the complex tumble slower and the emitted light is polarized, resulting in a higher mP value. This competition binding assay was performed in 96-well plate and with each assay contained 10 and 50 nM of labeled GM and purified HSP90 protein (Assay Design, SPP-776F) respectively. The assay buffer contained 20 mM HEPES (pH 7.3), 50 mM KCl, 1 mM DTT, 50 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40 with 0.1 mg/ml bovine gamma-globulin. Compounds are diluted in DMSO and added to the final assay before labeled GM with concentration range from 20 uM to 2 nM. mP value was determined by BioTek Synergy II with background subtraction after 24 hours of incubation at 4° C.
9543	1	Biochemical Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
9544	1	Experiment on VEGFR-2 Tyrosine Kinase Inhibitory Activity	The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo kinase assay kit commercially available from Promega. In the principle of the analysis, kinase, a substrate and ATP are reacted with one another, and then ADP-Glo solution is added thereto. The ATP is removed while leaving the produced ADP, and the remaining ADP is converted to ATP by use of a kinase detection reagent, and the ATP is reacted with a luciferin substrate, and the emitted luminescence is measured. Specifically, 5 &#956;l of each compound (5×) was added to each well, and 10 &#956;l of kinase enzyme was added to each well, and then 10 &#956;l of a 1:1 mixture of a kinase substrate and an ATP solution was added to each well (substrate: 5 &#956;g/5 &#956;l; ATP: 20 &#956;M/5 &#956;l). These substances were allowed to react (30° C. and 800 rpm) in a reactor under a light-shielded condition for 30 minutes, and 25 &#956;l of ADP-Glo solution was added to each well and allowed to react under a light-shielded condition for 40 minutes (RT; 150 to 170 rpm). 50 &#956;l of a kinase detection reagent was added to each well and allowed to react under a light-shielded condition for 30 minutes (RT; 150 to 170 rpm), and then the luminescence of each well was measured with a luminometer (Molecular Devices, LMax II 384) and converted to IC50 values.
9545	1	Time-Resolved Fluorescence Transfer (FRET) Assay	RET and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1× CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer was used for the KDR biochemical assay with the addition of 2 mM MnCl2.Inhibitors were pre-incubated in the plate for 15 mins with 5 &#956;L kinase and assay buffer at the following concentrations; 13 pM RET (Carna Biosciences; 08-159) and 150 pM KDR (Millipore; 14-630). The reaction was initiated by the addition of 5 &#956;L ATP and substrate at 2× final reaction concentrations. For RET, this was 18 pM and 2 &#956;M; for KDR, this was 16 &#956;M and 1 &#956;M, respectively. Reactions were performed at ATP Km for each target. The assay was allowed to proceed at room temperature for 20 mins before terminating with the addition of 10 &#956;L HTRF detection buffer containing EDTA supplemented with TK-antibody labelled with Eu3+-Cryptate (1:100 dilution) and streptavidin-XL665 (128 nM). Following incubation at room temperature for 1 hour, FRET signal was measured using the Pherastar FS Microplate Reader.
9546	1	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
9547	1	Inhibition Assay	The inhibitory activities of exemplary compounds described herein against select protein kinases.
9548	1	Tyrosinase Inhibition Assay	A tyrosinase inhibition assay was carried out using the method reported by Jones et al. (2002) Pigment. Cell Res. 15:335. Using this method, the conversion of L-Dopa, a substrate of tyrosinase, into dopachrome is followed by monitoring absorption at 450 nm. Tyrosinase was prepared in 50 mM potassium phosphate buffer, pH 6.8 (assay buffer) at 2000 U/ml and stored at &#8722;20° C. in 1 ml aliquots prior to use. For use in assays, stock enzyme solutions were thawed and diluted to 200 U/ml with assay buffer. A 2 mM working solution of substrate, L-DOPA, was prepared in assay buffer for each assay. Samples were dissolved in 10% DMSO (0.5 ml) and diluted to 5 ml with assay buffer. The reaction mixture consisted of 0.050 ml 2 mM L-DOPA, 0.050 ml 200 U/ml mushroom tyrosinase and 0.050 ml inhibitor. Reaction volume was adjusted to 200 &#956;l with assay buffer. Assays were performed in 96 well Falcon 3097 flat-bottom microtiter plates (Beckton Dickinson, N.J.). Appearance of dopachrome was measured with a WALLAC 1420 Multilable Counter (Turku, Finland). Average velocity was determined from linear enzyme rate as measured by change in absorbance (&#916;A450) at 450 nm per minute.
9549	1	fluorescence polarization competition assay (FPCA)	Molecular modeling and SILCS functional group affinity mapping (FragMaps) of the Mcl-1 binding site indicated that the carboxylic acid of designed molecule 3a (FIG. 1C) would occupy an energetically favorable region, associated with a salt bridge interaction with R263 of the Mcl-1 binding site, while the ring of the naphthyl core would bind in the p3 pocket demarcated by a favorable non-polar FragMap. The aniline was directed into the hydrophobic p2 pocket, which is also demarcated by a nonpolar FragMap. With the molecular modeling data in hand, compound 3a was then synthesized according to Scheme 1-2.Briefly, commercially available 1-hydroxy-2-naphthoic acid (4) was regioselectively 4-chlorosulfonylated to yield 5, which was isolated by pouring over ice and used without further purification. Sulfonyl chloride 5 was next reacted with 4-bromoaniline to furnish the target molecule 3a in excellent overall yield (83%). Evaluation of 3a in a fluorescence polarization competition assay (FPCA) indicated that it disrupted the Mcl-1-Bak-BH3 PPI with an IC50 of 10.9 &#956;M, corresponding to a Ki of 2.76 &#956;M. Given the ability of 3a to inhibit Mcl-1, a structure-activity relationship (SAR) study was developed, the results of which are presented in the tables below. 
9550	1	HDAC Enzyme Assays	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M TCEP) to 6 fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5 fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 &#956;M final concentration were diluted in assay buffer at 6 fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2), 0.08 ng/ml (HDAC3) and 2 ng/ml (HDAC6). The final substrate concentrations used were 16 &#956;M (HDAC1), 10 &#956;M (HDAC2), 17 &#956;M (HDAC3) and 14 &#956;M (HDAC6). Five 1 of compound and 20 &#956;l of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five &#956;l of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated. The IC50 was determined using Graph Pad Prism by a four parameter curve fit.
9551	1	TAAR1 Biodata	EC50 (the effective concentration of an agonist that produces half of the maximal effect) and Emax (the maximal cAMP level generated by the biding of a ligand) can be used as a measure of potency. In some embodiments, the TAAR1 agonists or partial agonists of the present disclosure have EC50&#8804;10 &#956;m, or EC50&#8804;1 &#956;m. An in vitro cAMP assay (agonist activity assay) is described below.cAMP Hunter cell lines were expanded from freezer stocks according to standard procedures. Cells were seeded in a total volume of 20 &#956;L into white walled, 384-well microplates and incubated at 37° C. overnight prior to testing. cAMP modulation was determined using the HitHunter cAMP XS+ assay (DiscoverX, Fremont, Calif.).On the day of test, media was aspirated from cells and replaced with 15 &#956;L HBSS/10 mM HEPES. A plate centrifuge was used for the media exchange, and the plate centrifuge was immediately stopped once its speed hit 270 RPM.5 &#956;L of 4× compound (prepared in HBSS/10 mM HEPES/4% DMSO) was added to cells and incubated at 37° C. for 30 minutes. Final assay vehicle concentration was 1%.5 &#956;L of cAMP XS+ Antibody reagent was then added, followed by 20 &#956;L of ED/CL lysis mix. The mixture was incubated at room temperature for 60 minutes. 20 &#956;L of EA reagent was added, and the mixture was incubated at room temperature for 120 minutes.Microplates were read following signal generation with a PerkinElmer Envision instrument (Waltham, Mass.) for chemiluminescent signal detection. Compound activity was analyzed using CBIS Data Analysis Suite (ChemInnovation, CA).
9552	1	Inhibition of Aldosterone Synthase	Assays are performed in 96-well format in a final volume of 60 microL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additionally, 2 &#956;M of corticosterone and 50 units of CYP11B2 activity. Reactions are started by the addition of NADPH to 1 mM and allowed to proceed for 90 minutes at 37° C. Reactions are terminated by the addition of 60 &#956;L of MeCN containing an internal standard for mass spectrometry. One hundred microliters are then transferred to a glass filter plate and centrifuged at 570×g for 5 minutes and the filtrate is collected. Reaction product aldosterone is quantified by mass spectrometry. To determine the assay blank value (0% activity), NADPH is omitted from some reactions.Dose dependent inhibition is quantified by the inclusion of compound at various concentrations. Maximum activity (100%) is defined by reactions containing NADPH, but without compound. Activities at each concentration are expressed as a percentage of the maximum activity (y-axis) and plotted against concentration of compound (x-axis) and the concentration corresponding to 50% activity (IC50) determined using the XLFit curve-fitting program using a 4-parameter logistic model.
9552	2	Inhibition of Cortisol Synthesis	Assays are performed as for aldosterone synthase except for the use of 150 units of CYP11B1, 11-deoxycortisol as substrate and cortisol measured as product.Representative compounds of the present invention were tested for activity in the above assays. Preferred compounds have an IC50<1,000 nM and more preferred compounds have an IC50<100 nM in the aldosterone synthase inhibition assay. Preferred compounds have at least 100-fold selectivity for aldosterone synthase inhibition over cortisol synthase (CYP11B1) inhibition.
9553	1	dUTPase Inhibition	The assay employs a DNA polymerase-based approach utilizing an oligonucleotide template with 3 distinct regions: a 3&#8242; primer binding region, a mid-template dUTP/thymidine triphosphate (TTP) detection region and a 5&#8242; 6-Flavin adenine mononucleotide (FAM)-labeled probe binding region that incorporates a black hole quenching moiety. During the reaction, the probe and primer hybridize to the oligonucleotide template to form the template:primer:probe complex. When Taq polymerase binds to the primer in the TPP complex and dUTP is present, successful extension of the nascent strand occurs and the inherent 5&#8242; to 3&#8242; exonuclease activity of Taq polymerase cleaves and displaces the 6-FAM-labeled probe in a 5&#8242; to 3&#8242; direction, releasing the 6-FAM fluorophore from its proximity to the three quenchers. This displacement effectively disrupts the F rster resonance energy transfer (FRET) and the resulting fluorescence detected upon excitation is directly proportional to the amount of the dUTP available in the assay for incorporation. Conversely, when the dUTP is unavailable, exhausted, or degraded by dUTPase and is no longer available for incorporation, Taq polymerase stalls and extension delay and/or chain termination of the nascent strand occurs. In this instance, probe hydrolysis/degradation does not occur and the probe remains dark as fluorescence remains quenched via FRET. Since fluorescence is directly proportional to the concentration of dUTP, the assay is easily modified to measure dUTP and the effects of inhibitors on dUTP hydrolysis by the enzyme dUTPase. The template BHQ-DT6 (Black Hole Quencher Detection Template 6) for detecting up to 60 pmols of dUTP is included for this application of the assay along with 50 pmols of dUTP and 5 ng of recombinant dUTPase. The reaction is incubated at 37° C. for 8 mins and terminated by a 10 min incubation at 95° C. to simultaneously inactivate dUTPase and activate the hot-start Taq polymerase. The fluorescence generated during the detection step is directly proportional to the concentration of dUTP remaining after the 8 min incubation. The concentration of dUTP at reaction termination and therefore inhibition of dUTPase in the presence and absence of inhibitors and appropriate dimethyl sulfoxide (DMSO) controls can be determined.
9554	1	Enzymatic Activity Assay for Rec Human PI3Kgamma	The activity of recombinant human PI3K&#947; (aa144-1102)-6His was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a commercially available ADP-Glo kit from Promega. The assay was carried out in white low volume 384 well plates in a final volume of 14 &#956;l at rt. The assay conditions contained the following: 50 mM Tris buffer pH 7.4, 2.1 mM DTT, 3 mM MgCl2, 0.05% CHAPS, 20 &#956;M ATP, 80 &#956;M DiC8-PIP2 and 1.2 nM PI3K&#947;. Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically 0.1 &#956;M) was tested and the pIC50 determined using a 4-parameter logistic equation in a non-linear curve fitting routine. Routinely, inhibitors were pre-incubated with 3 &#956;l of PI3K&#947; for 15 min prior to the addition of 2 l substrate mixture for a further 60 min enzyme reaction. The phosphorylation was stopped with the addition of 3 &#956;l ADP-Glo reagent (stop solution) followed by a 40 min incubation. Prior to detection 6 &#956;l of ADP-Glo Kinase Detection Reagent was added and the plates were read in a micro plate reader using a Luminescence filter.
9555	1	cAMP Assay	hGLP1R-HEK293 was seeded in 96 well plates at 2.0×104 cells per well and cultured over night. The medium for culturing the cells was changed to 50 &#956;L of Medium A (DMEM, 20 mM HEPES, 0.05% BSA, 0.5 mM 3-isobutyl-1-methylxanthine) the next day, and the cells were incubated at 37° C. for 30 min. Then, 50 &#956;L of Medium B (DMEM, 20 mM HEPES, 0.05% BSA, 0.5 mM 3-isobutyl-1-methylxanthine) containing GLP-1 or the compound was added, and the cells were incubated at 37° C. for an additional 30 min. Then, 100 &#956;L of Assay lysis buffer (Applied Bioscience) was added, and the cells were incubated at 37° C. for 30 min. The cAMP concentration was quantified using cAMP HiRange kit (Cisbio Bioassays).<Calculation of EC50>By setting the cAMP concentration when the human GLP-1 (7-37) was put into action at a concentration of 1 nM to 100%, the cAMP concentration of each well was converted to a reaction rate (%). By using a 4 parameter logistic regression analysis by XLfit (ver 5.4.0.8), dose-response curves of the each Example Compound were created, and the half maximal (50%) effective concentrations (EC50) were calculated.
9556	1	Phosphatase Assays	IC50 values were estimated using 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) as a substrate, SHP2 samples (diluted to 0.5 nM in reaction buffer) were incubated with dPEG8 peptide for 30 min in reaction buffer[60 mM 3,3-dimethyl glutarate (pH7.2), 75 mM NaCl, 75 mM KCl, and 1 mM EDTA, 0.05% Tween 20, 2 mM dithiothreitol (DTT)] to active the PTP. DMSO [0.5% (v/v)] or compounds (concentrations ranging from 0.3 nM to 1 &#956;M) were added to the mixture and incubated for 30 min at room temperature. Reactions were initiated by the addition of DiFMUP (12 &#956;M; total reaction volume of 100 &#956;L), and the fluorescence (excitation at 340 nm, emission at 450 nm) of the resulting solutions was measured on a 2104-0020 EnVision Xcite Multilabel Reader (PerkinElmer) after 30 min.
9557	1	IMAP (immobilized metal ion affinity-based fluorescence polarization) assay	TBDBTK enzyme (His-BTK (Millipore catalog #14-552)), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 l/well of 0.4 U/mL BTK enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and BTK enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. # R7188/# R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in BTK IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (AmPi) of the controls with and without ATP. IC50 values are determined by curve fitting of the experimental results in Dotmatics.
9557	2	LanthaScreen assay	TEC enzyme (LifeTech # PV3269) and Eu-anti-HIS antibody (Invitrogen # PV5596) are mixed and diluted in kinase buffer (50 mM Hepes pH 7.5+10 mM MgCl2+1 mM EGTA+0.01% Brij-35) to 3 and 6 nM, respectively. Final concentration in the assay for enzyme and antibody are 1 and 2 nM, respectively.Tracer (Kinase Tracer 178, Invitrogen # PV5593) is diluted in Kinase buffer to 3 nM. Final concentration in the assay is 1 nM.Serial dilutions log 10 from 1 mM to 3.16 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 33-fold in Kinase buffer (50 mM Hepes pH 7.5+10 mM MgCl2+1 mM EGTA+0.01% Brij-35).The assay is performed as follows: 5 &#956;L/well of TEC enzyme and EU-anti-His antibody dilution is mixed with 5 &#956;L/well tracer dilution and 5 &#956;L/well of compound dilution in Kinase buffer. Final compound concentration in the assay ranged from 10 &#956;M to 0.316 nM, with 1% DMSO final concentration in assay. Following a 2h incubation at room the TR-FRET signal at 615 nm and 665 nm is read. The ratio 665/615 was used to calculate values expressed as percentage of the difference in readout (S/N) of the controls with and without Tracer. IC50 values were determined by curve fitting of the experimental results in Dotmatics.
9557	3	IMAP (immobilized metal ion affinity-based fluorescence polarization) assay	TBITK enzyme (Millipore #14-660M) is diluted to 0.2 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5)Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;L/well of 0.2 U/mL ITK enzyme (final concentration in the assay is 0.05 U/mL (8.4 nM)). Test compounds and ITK enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate # R8124, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in ITK IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 60% 1× buffer A and 40% 1× buffer B with 800× diluted beads (Progressive Binding System, Molecular Devices # R8124). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (AmPi) of the controls with and without ATP. IC50 values are determined by curve fitting of the experimental results in Dotmatics.D
9557	4	Z&#8242;-LYTE assay	BMX, TXK, EGFR, ERBB2, ERBB4, JAK3, BLK kinase activity was measured using the Z&#8242;-LYTE assay at Thermo Fisher. A 10-point dose response (final concentration in assay ranged from 10 &#956;M to 0.5 nM in 3-fold dilution per dilution step) was generated with 1 h incubation of the test compound with the kinase prior to initiation of the kinase reaction by the addition of ATP. ATP concentration in the assay was Km ATP for the different kinases. IC50 values are determined by curve fitting of the experimental results at Thermo Fisher.
9557	5	BTK-WT and BTK-C481S LanthaScreen	Inhibitory activity on BTK wild type (BTK-WT) and BTK Cys481Ser mutant (BTK-C481S) was measured using the LanthaScreen assay technology from ThermoFisher according to manufacturer&#39;s protocol.BTK-WT or BTK-C481 S (Genscript) were mixed and diluted with Eu-anti-GST antibody (Invitrogen) in Kinase buffer (50 mM Hepes pH 7.5+10 mM MgCl2+1 mM EGTA+0.01% Brij-35) to 15 and 6 nM, respectively. Final concentration in the assay for enzyme and antibody are 5 and 2 nM, respectively.Tracer (Kinase Tracer 236, Invitrogen) is diluted in Kinase buffer to 90 nM. Final concentration in the assay is 30 nM.Serial dilutions log 10 from 1 mM to 3.16 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 33-fold in Kinase buffer (50 mM Hepes pH 7.5+10 mM MgCl2+1 mM EGTA+0.01% Brij-35).The assay is performed as follows: 5 &#956;L/well of BTK-WT or BTK-C481S enzyme and EU-anti-GST antibody dilution is mixed with 5 &#956;L/well tracer dilution and 5 &#956;L/well of compound dilution in Kinase buffer. Final compound concentration in the assay ranged from 10 &#956;M to 0.316 nM, with 1% DMSO final concentration in assay. Mixture was incubated at room temperature in the dark and at different times of incubation (5 min, 10 min, 20 min, 30 min, 40 min, 60 min, 90 min, 120 min, 180 min and 300 min) the TR-FRET signal was read at 615 nm and 665 nm. The ratio 665/615 was used to calculate values expressed as percentage of the difference in readout (S/N) of the controls with and without Tracer. IC50 values for each timepoint were determined by curve fitting of the experimental results in Dotmatics.
9557	6	BTK Target Occupancy	Ramos B cells (ATCC, cat no. CRL-1923) were plated in 24-wells culture plates at 2×106 cells per well in a total volume of 900 &#956;L DMEMF12+10% FBS+2 mM L-Glutamine+Pen/Strep. Allow the cells to rest 1 h at 5-7% CO2 and 37° C.Serial dilutions log 10 from 10 mM to 316 nM of test compounds are made in 100% DMSO, followed by a 100-fold dilution into culture medium.For each well, 100 &#956;L was then transferred to well plate containing 900 &#956;L of Ramos B cells. Final compound concentration range in the assay varied from 10 &#956;M to 0.316 nM, with a final DMSO concentration of 0.1% and incubated at 5-7% CO2 and 37° C. for 2h. Afterwards, cells are collected for the measurement of the BTK target occupancy using the BTK target occupancy ELISA as outlined below.The percent of drug-bound BTK in Ramos B cell samples was determined by an ELISA based method as follows: OptiPlate 96-well plates (Perkin Elmer) were coated with 125 ng/well anti-BTK Ab (BD Biosciences) and blocked with BSA (Sigma-Aldrich). Samples containing Ramos B cells were lysed in ice cold lysis buffer containing 50 mM Tris-HCl pH 7.5, 250 mM sucrose, 5 mM MgCl2, 1 mM dithiothreitol (DTT), 0.05% digitonin, and protease inhibitor cocktail (Sigma-Aldrich). Cell lysates were then incubated for 1 h in the absence or presence of 1 &#956;M acalabrutinib, a saturating concentration that results in complete BTK occupancy. Final amount of cell lysate used per well in BTK target occupancy ELISA is representative of 2×105 Ramos B cells. The difference with the signal of the cell lysates not incubated with an excess acalabrutinib represents free BTK (not occupied by a BTK inhibitor). Samples were incubated for 1 h with biotin tag compound of Formula (II) (100 nM). This probe will bind covalently to Cys481 in the ATP pocket in BTK when the ATP pocket is not occupied by a covalent BTK inhibitor. Each sample was then added in duplicate to the prepared Optiplate and incubated for 2h at ambient temperature. Plates were washed with PBS+0.05% Tween20 four times. Streptavidin-HRP (Invitrogen; ELISA grade) was added at 100 &#956;L/well (120 ng/mL) and incubated for 1 hour at room temperature. Plates were washed with PBS+0.05% Tween20 three times and then washed with PBS (without Tween 20) two times. One hundred L/well of SuperSignal ELISA Femto Substrate (ThermoFisher Scientific) was added and then chemiluminescence was measured after 1 minute (EnVision plate reader; PerkinElmer).
9558	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9559	1	Binding Affinities to Different Adenosine Receptors	The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for 50 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 times before incubated at 55° C. for 10 min. At last, 40 L ULTIMA GOLD was added into each well, and CPM was read by TopCount.The compounds at different concentrations were incubate with hA2a membrane (from PerkinElmer) and [3H]-CGS21680 for 90 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 times before incubated at 55° C. for 10 min. At last, 40 L ULTIMA GOLD was added into each well, and CPM was read by TopCount.The compounds at different concentrations were incubate with hA2b membrane (from PerkinElmer) and [3H]-DPCPX for 60 min at 27° C., and the binding reactions were stopped by rapid filtration through 0.5% BSA coated UNIFILTER-96 GF/C plates using cell harvester. The filter plates were then washed three times with ice cold wash buffer, and dried at 37° C. for 120 min. At last, 50 L of scintillation cocktail was added into each well, and CPM was read by TopCount.The compounds at different concentrations were incubate with hA3 membrane (from PerkinElmer) and [1211]-AB-MECA for 60 min at 27° C., the binding reactions were stopped by rapid filtration through 0.50% BSA coated UNIFILTER-96 GF/C plates using cell harvester. The filter plates were then washed three times with ice cold wash buffer, and dried at 37° C. for 120 min. At last, 50 L of scintillation cocktail was added into each well, and CPM was read by TopCount.
9559	2	FLIPR and cAMP Inhibition Assay	hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experiment. On the day of experiment, the supernatant was discard and replaced with 40 L of dye (FLIPR calcium 5 Assay Kit) per well and the plates were incubated for 60 mins at 37° C. plus 5% CO2. Then testing compounds were added at different concentrations for FLIPR inhibition assay. After a 400 s incubation with compound, 10 M adenosine was added into the cells, and the signal was captured by FLIPR.hA2a/CHO, hA2b/CHO and mA2a/CHO (Genscript) were plated at 5×103 cells/well into 384-well polystyrene plates at the day of experiment. Compounds were pre-incubated with cells for 30 min at 37° C., 5% CO2. Then 10 M adenosine was added to the cells and incubated for 30 min at 37° C., 5% CO2. Detection reagent (CISBIO) was added and the plates were incubated for 60 min at room temperature. The signal was captured by Envision.
9560	1	Endonuclease Inhibition Assay (PA FP Assay)	Compounds were dissolved and serially diluted in 100% DMSO then 0.5 &#956;l was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/75 PA(1-209) was prepared in assay buffer (20 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Tween 20, 100 mM NaCl and 1 mM DTT) and 20 ul was added to each well of assay plate with compounds, centrifuged for 1 min at 1000 rpm and incubated for 30 min at room temperature. 20 &#956;l of 20 nM fluorescein-labeled probe [5-(4-(3-carboxy-3-oxopropanoyl)-4-(4-chlorobenzyl)piperidine-1-carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] in assay buffer was then added, centrifuged for 1 min at 1000 rpm and incubated for 60 min at room temperature.Fluorescence polarization was measured on Perkin Elmer Envision plate reader with excitation at 480 nm and emission at 535 nm and reported in millipolarization units (mP). IC50 values were determined relative to wells containing 125 uM of a compound known to bind to the active site of PA and uninhibited wells containing 1.25% DMSO.
9560	2	Influenza Virus Neuraminidase Assay (NA Assay)	For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Manassas, Va.) and 0.1% BSA at cell densities of 1.8×104 cells/well in 384-well format. Compounds were added to the cells 2 hours pre-infection. Infections were performed at MOI 0.005 and the plates were incubated at 37° C., 5% CO2 for 48 hours. Following incubation, neuraminidase activity was evaluated with the NA assay kit (ThermoFisher, Carlsbad, Calif.). For cell toxicity measurement, CellTiter-Glo (Promega, Madison, Wis.) was added to treated cells according to manufacturer&#39;s instructions.
9561	1	Radiolabel Binding Studies for Serotonin 5HT7 Receptors	A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer or DMSO according to its solubility. A similar stock of the reference compound chlorpromazine is also prepared as a positive control. Eleven dilutions (5× assay concentration) of the compound of the disclosure and chlorpromazine are prepared in the Assay Buffer by serial dilution to yield final corresponding assay concentrations ranging from 10 pM to 10 &#956;M.A stock concentration of 5 nM [3H]-5-Hydroxytryptamine ([3H]-5HT) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 al of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.The 250-&#956;l reactions are incubated at room temperature for 1.5 hours, then harvested by rapid filtration onto 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester. Four rapid 500-&#956;l washes are performed with chilled Assay Buffer to reduce non-specific binding. The filter mats are dried, then scintillant is added to the filters and the radioactivity retained on the filters is counted in a Microbeta scintillation counter.Raw data (dpm) representing total radioligand binding (i.e., specific+non-specific binding) are plotted as a function of the logarithm of the molar concentration of the competitor (i.e., test or reference compound). Non-linear regression of the normalized (i.e., percent radioligand binding compared to that observed in the absence of test or reference compound) raw data is performed in Prism 4.0 (GraphPad Software) using the built-in three parameter logistic model describing ligand competition binding to radioligand-labeled sites:y=bottom+[(top&#8722;bottom)/(1+10×&#8722;log IC 50)]where bottom equals the residual radioligand binding measured in the presence of 10 &#956;M reference compound (i.e., non-specific binding) and top equals the total radioligand binding observed in the absence of competitor. The log IC50 (i.e., the log of the ligand concentration that reduces radioligand binding by 50%) is thus estimated from the data and used to obtain the Ki by applying the Cheng-Prusoff approximation:Ki=IC 50/(1+[ligand]/KD)where [ligand] equals the assay radioligand concentration and KD equals the affinity constant of the radioligand for the target receptor. 
9562	1	MAGL Enzymatic Assay (0 minute)	Assessment of MAGL inhibition utilizes human recombinant Monoacylglycerol Lipase and the fluorogenic substrate 7-hydroxycoumarinyl arachidonate (7-HCA, Biomol ST-502). 400 nL of a test compound at decreasing concentration (ranging from 150 &#956;M down to 1.5 nM) was spotted into a 384-well back plate (PerkinElmer, 6007279) using a Labcyte Echo, followed by addition of 10 &#956;L of MAGL enzyme in assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 5 mM MgCl2, 0.1% Triton X-100 and 25% glycerin). An equal volume of 7-HCA in assay buffer with 10% DMSO was added either immediately (T=0 min) or after a 30 minute incubation (T=30 min) to initiate the reaction. The final concentration of MAGL enzyme was 88 &#956;M and 7-HCA substrate was 5 &#956;M. After these dilutions, the final concentration of the test compound ranged from 3 &#956;M to 0.03 nM. The reaction was allowed to progress for 60 minutes, after which the plate was read at an Ex/Em of 340/465. Percent inhibitions were calculated based on control wells containing no compound (0% inhibition) and a control compound (e.g., a MAGL inhibitor whose activity is known or was previously reported in the literature, such as one with about 100% inhibition). IC50 values were generated based on a four parameter fit model using ABASE software from IDBS. See e.g., Wang, Y. et al., A Fluorescence-Based Assay for Monoacylglycerol Lipase Compatible with Inhibitor Screening, Assay and Drug Development Technologies, 2008, Vol. 6 (3) pp 387-393 (reporting an assay for measuring MAGL activity).To measure MAGL inactivation, the same protocol for the (T=0 min) MAGL inhibition IC50 assay was performed with data collected every minute to acquire enzyme progress curves at decreasing concentrations of compound. Kobs values were calculated from this data and kinact/Kl ratios were determined from a plot of Kobs values vs. compound concentrations.
9562	2	MAGL Enzymatic Assay (30 minute)	T = 30 minutes.
9564	1	Inhibition Assay	An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Harper, J. W.; Niemann, M. A.; Volanakis, J. E.; Powers, J. C. Human complement proteins D, C2, and B Active site mapping with peptide thioester substrates. J Biol. Chem. 1987, 262, 3444-3451). For this assay Z-Lys-SBzl, 1.29 mM (Kim, S.; Narayana, S. V. L; Volanakis, J. E. Mutational analysis of the substrate binding site of human complement Factor D. Biochemistry. 1994, 33, 14393-14399) was used as the substrate for Factor D (104 mM). Hydrolysis of this compound by Factor D liberated a free sulfhydryl group which is then reacted with 5,5&#8242;-dithiobis(2nitrobenzoic acid) producing an intense yellow color (Habeeb, A. F. S. A. Reaction of protein sulfhydryl groups with Ellman&#39;s Reagent. Methods in Enzymol. 1976, 25, 457-464.). The assays were performed in 96 well microtiter plates and rates of hydrolysis were monitored at 405 nm on a Biotek Synergy H1 plate reader. Hydrolysis rates were reported as change in mOD/min. The assay was conducted in 100 mM HEPES, 500 mM NaCl, pH 7.5 containing 10% DMSO in a final volume of 50 &#956;L per well.
9565	1	In Vitro Enzyme Inhibition Assay	This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession number 060341) was purchased from Active Motif (Cat #31334).S The enzymatic assay of LSD-1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD-1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD-1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD-1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.
9566	1	Biochemical Assay	The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing a BODIPY FL moiety, allowing for the identification of compounds that can inhibit this exchange. In certain embodiments, the methods disclosed herein may exploit the reduction of intramolecular fluorescence quenching of the modified nucleotide upon its binding to the target protein. The concentration of Arf6 = 20nM.
9566	2	Biochemical Assay1	The primary biochemical assay uses a fluorometric assay for monitoring the replacement of bound nucleotide with a fluorogenic GTP derivative bearing a BODIPY FL moiety, allowing for the identification of compounds that can inhibit this exchange. In certain embodiments, the methods disclosed herein may exploit the reduction of intramolecular fluorescence quenching of the modified nucleotide upon its binding to the target protein. The concentration of Arf6 = 200nM.
9567	1	Fluorescence Polarization (FP) Assay	Measuring compound ligand binding to CRBN-DDB1 was carried out using an established sensitive and quantitative in vitro fluorescence polarization (FP) based binding assay. (See, I. J. Enyedy et al, J. Med. Chem., 44: 313-4324 [2001]). Compounds were dispensed from serially diluted DMSO stock into black 384-well compatible fluorescence polarization plates using an Echo acoustic dispenser. Compound binding to CRBN-DDB1 was measured by displacement of either a (&#8722;)-Thalidomide-Alexa Fluor or Pomalidomide-fluorescein conjugated probe dye. A 20 &#956;L mixture containing 400 nM CRBN-DDB 1 and 5 nM probe dye in 50 mM Hepes, pH 7.4, 200 mM NaCl, 1% DMSO and 0.1% pluronic acid-127 acid was added to wells containing compound and incubated at room temperature for 60 min. Matching control wells excluding CRBN-DDB1 were used to correct for background fluorescence. Plates were read on an Envision plate reader with appropriate FP filter sets. The corrected S (perpendicular) and P (parallel) values were used to calculate fluorescence polarization (FP) with the following equation: FP=1000*(S&#8722;G*P)/(S+G*P). The fractional amount of bound probe (FB) to CRBN-DDB1 as a function of compound concentration was fitted according to Wang; FEBS Letters 360, (1995), 111-114 to obtain fits for parameter offsets and binding constant (KA) of competitor compound.
9569	1	Kinase Binding Assay	TrkA binding activity was determined in a TrkA LanthaScreen Eu Kinase Binding Assay. 5 nM His-tagged recombinant human TrkA (6HIS tagged cytoplasmic domain from Invitrogen, Catalog No. PV3144) was incubated with 4 nM Alexa-Fluor Tracer 236 (Invitrogen Cat. No. PV5592), 2 nM biotinylated anti-His (Invitrogen Cat. No. PV6090), and 2 nM europium-labeled Streptavidin (Invitrogen Cat. No. PV5899), in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). Three fold serial dilutions of compounds of the invention in DMSO were added to a final percentage of 2% DMSO. After 60-minute incubation at 22° C., the reaction was measured using the EnVision mutlimode plate reader (PerkinElmer) via TR-FRET dual wavelength detection at 615 nM and 665 nM. The percent of control was calculated using a ratiometric emission factor. The IC50 values were determined by fitting a four parameter model to the percent of control data.
9570	1	Inhibition Assay	The synthesized compounds then were tested for inhibition of the kinase activity (IC50) of Mnk1 and/or Mnk2 using the ADP monitoring assay for kinases described in Zegzouti, H.; Zdanovskaia, M.; Hsiao, K.; Goueli, S. A., ADP-Glo: A Bioluminescent and homogeneous ADP monitoring assay for kinases.
9571	1	Enzyme Activity Assay	The PHD2181-417 polypeptide (3 &#956;g) was pre-incubated for 30 minutes with test compound prior to assessing the enzymatic activity of the polypeptide. The PHD enzymatic assay was then performed by transferring the purified PHD2181-417 polypeptide (3 &#956;g) mixture with compound to 0.5 ml of reaction mixture containing the following: synthetic HIF-1&#945; peptide comprising residues [KNPFSTGDTDLDLEMLAPYIPMDDDFQLRSFDQLS] (10 &#956;M, California Peptide Research Inc., Napa, Calif.), and [5-14C]-2-oxoglutaric acid (50 mCi/mmol, Moravek Chemicals, Brea, Calif.) in reaction buffer (40 mM Tris-HCl, pH 7.5, 0.4 mg/ml catalase, 0.5 mM DTT, 1 mM ascorbate) for 10 minutes in the presence of compound. The reaction was stopped by addition of 50 &#956;l of 70 mM H3PO4 and 50 &#956;l of 500 mM NaH2PO4, pH 3.2. Detection of [14C]-succinic acid was achieved by separating from [5-14C]-2-oxoglutaric acid by incubating the reaction mixture with 100 &#956;l of 0.16 M DNP prepared in 30% perchloric acid. Next, 50 &#956;l of unlabeled 20 mM 2-oxoglutaric acid/20 mM succinic acid, serving as carrier for the radioactivity, was added to the mixture, and was allowed to proceed for 30 minutes at room temperature. The reaction was then incubated with 50 &#956;l of 1 M 2-oxoglutaric acid for 30 additional minutes at room temperature to precipitate the excess DNP. The reaction was then centrifuged at 2800×g for 10 minutes at room temperature to separate [14C]-succinic acid in the supernatant from the precipitated [14C]-dinitrophenylhydrazone. Fractions of the supernatant (400 &#956;l) were counted using a beta counter (Beckman Coulter, Fullerton, Calif.). Inhibition of PHD2181-417 activity was measured as a decrease in [14C]-succinic acid production. The IC50 values were estimated by fitting the data to a three-parameter logistic function using GraphPad Prism, version 4.02 (Graph Pad Software, San Diego, Calif.). IC50 values up to 10 &#956;M were quantified otherwise were noted as >10 &#956;M. All compounds were diluted at 10 mM in 100% DMSO (w/v) and tested from 10 &#956;M to 3 nM at half-log serial dilutions, with a final concentration of 2% DMSO (w/v) in the assay.
9572	1	Inhibitory Assay	The inhibitory effect of compounds on the rate of cleaving fluorogenic MMP substrate (Enzo, BML-P128) by recombinant human MMP-12 catalytic domain (Enzo, BML-SE138) was carried out by methods known in the art. Briefly, to each well of a 96-well black opaque plate, all the reagents were sequentially added by pipetting, and the final reaction contained 4 nM of recombinant human MMP-12 catalytic domain, 4 &#956;M of fluorogenic MMP substrate, and various concentrations (0.15 nM to 10,000 nM) of tested compound dilutions in HEPES buffer (pH 7.5) containing 10 mM of CaCl2, 0.01% Brij 35 (polyoxyethylene (23) lauryl ether), and 0.1 mg/ml of BSA.The enzyme and compounds were pre-incubated on a shaker to mix in wells. After an hour of mixing, fluorogenic substrate was added to each well. Reaction without enzyme was used as a blank control in the plate. The plate was then fed into a plate reader to measure fluorescence intensity at Excitation/Emission wavelengths of 340 nm/440 nm every 10 mins for at least 1 hour at 37° C. The IC50 of each compound in MMP-12 inhibition was determined by using a readout obtained at time point 30 minutes
9573	1	Biochemical Inhibition Assay	The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib and pictilisib are included as comparators. The representative compounds of the invention exhibit strong activity against PI3K&#945;, and exhibit significantly enhanced selectivity relative to the other isoforms PI3K&#946;, PI3K&#948;, and PI3K&#947; when compared to taselisib (GDC-0032) and pictilisib (GDC-0941). In particular, the selectivity ratios in the second from the right column of Table 2A show that each Formula I compounds 101-107 has a PI3K alpha to delta selectivity ratio far higher than taselisib or pictilisib. In fact, both taselisib and pictilisib have stronger activity against PI3K delta than against PI3K alpha, i.e. their selectivity ratios are less than 1. The selectivity ratios of Formula I compound 101-107 range from 301-fold to 634-fold.
9574	1	Kinase Inhibiting Activity	A reaction buffer (100 mM HEPES (pH 7.4), 10 mM MgCl2, 0.003% Brij-35, 0.004% Tween-20, and 1 mM DTT) was mixed with a RET recombinant protein (RET wild type; Invitrogen # PV3819, final concentration: 80 pg/ul, or a RET Gatekeeper mutation (V804L); Invitrogen # PV4397, final concentration: 80 pg/ul) to prepare a RET kinase solution. The test compound was prepared to have a final concentration of 4000 nm with DMSO, and further, test compound samples at 12 different concentrations were prepared with a dilution magnification of &#8730;10. 19 uL of the RET kinase solution was added to each of lines A to P of a 384-well plate, and thereafter, the test compound at each concentration was added to lines C to N, and further, 1 uL of dimethyl sulfoxide (hereinafter referred to as DMSO) was added to each of lines A, B, O and P. Thereafter, the obtained mixtures were each preincubated at room temperature for 20 minutes. Furthermore, a substrate solution A containing ATP (final concentration: 1 mM) and a substrate solution B containing no ATP, both in addition to a reaction buffer and FL-Peptide 22 (PerkinElmer, #760366, final concentration: 1.5 uM) were produced. The substrate solution A was added in an amount of 5 uL to lines B to 0, whereas the substrate solution B was added in an amount of 5 uL to lines A and P. The obtained mixtures were each incubated at 28° C. for 45 minutes. A reaction termination solution (100 mM HEPES (pH 7.4), 0.015% Briji-35, 40 mM EDTA, and 0.1% Coating Reagent 3) was added in an amount of 40 ul to the reaction mixture, so as to terminate the reaction.
9575	1	Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially or discretely diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;L, 3 &#956;M, 1.6 &#956;L, and 10 &#956;L; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
9576	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
9577	1	Electrophysiology Assay	The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgCl2, 10 HEPES, 5 Glucose (pH 7.4). Patch pipettes with resistance between 2-5 Megaohms, when filled with a solution containing (in mM): 135 KCl, 1 EGTA, 1 MgCl2, 10 HEPES, 2 Na2ATP (pH 7.3), were used to form gigaseals. The cells were voltage clamped at &#8722;75 mV in whole-cell configuration using an Axopatch 200b or Multiclamp 700b (Molecular Devices) amplifier controlled by pClamp Software (Molecular Devices). The current was recorded by applying a voltage step to &#8722;120 mV every 10 seconds. For each compound, 4-6 concentrations were applied for 3-8 minutes in a successive manner starting with the lowest concentration. At the end of the experiment, the cells were perfused with bath solution containing 2 mM Ba2+ to isolate the contribution of hROMK current.
9578	1	Enzymatic Assay	Recombinant full-length wild-type and E76K mutant human PTPN11 proteins were cloned, expressed (E. coli system), and isolated via a two-step purification of Ni affinity followed by S75 size exclusion chromatography.Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP; Molecular Probes) as the substrate. Enzyme (250 pM) was incubated with or without increasing concentrations of compounds in assay buffer (62.5 mM HEPES, 125 mM NaCl, 1 mM EDTA, 1.25 mM TECP, 0.1% BSA) for 30 min at room temperature. Reaction was initiated by addition of DiFMUP (50 &#956;M) at room temperature in 384-well black plate with a final reaction volume of 20 uL in assay buffer. After 1 hour, DiFMUP fluorescence signal was measured (Ex:340/Em:460) using Envision plate reader. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener). Curves were normalized to a high controls without inhibitor, and low controls without enzyme. Results are given below in Table 1. Other compounds disclosed herein are expected to have activity similar to the results below, showing activity as PTPN11 inhibitors.
9579	1	Kinase Assay	Inhibition of phosphorylation of a synthetic peptide was measured in an HTRF-based assay using the TK substrate-Biotin from the Cisbio HTRFKinEASE TK kit. First, 2 &#956;l of TK solution (TK substrate-biotin in kinase buffer [1× enzymatic buffer from HTRFKinEASE TK kit, 1 mM DTT]) is added to a plate containing 1 &#956;l prediluted compound (final assay concentration DMSO: 0.75%). Then, 5 &#956;l kinase-ATP mix (prepared in kinase buffer) is added to the wells and the plates are incubated at RT for 20-30 min. For all four kinases a concentration of ATP that corresponded to the Km for ATP was used. The final concentrations of buffers, substrate, kinase and ATP were: JAK1: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 10 mM MgCl2, 1 mM DTT, 7 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 5 ng JAK1; JAK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 4 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.1 ng JAK2; JAK3: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 2 &#956;M ATP, 1 &#956;M TK Substrate-Biotin and 0.3 ng JAK3; TYK2: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 5 mM MgCl2, 1 mM DTT, 13 &#956;M ATP, 50 nM SEB, 1 &#956;M TK Substrate-Biotin and 0.8 ng TYK2. Thereafter, the kinase reaction is stopped by adding 4 &#956;l detection mix (final concentrations: 50 mM Hepes buffer pH 7.0, 0.01% BSA, 0.8 M KF, 20 mM EDTA, 42 nM Streptavidin-XL665 and 1:400 STK Ab Cryptate) and the plates are incubated overnight in the dark. The HTRF signal is read using an Envision plate reader.
9563	1	Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.
9568	1	Fluorescence Resonance Energy Transfer (FRET) Assay	The inhibitory activity of compounds on ROR&#947; receptor was determined by fluorescence resonance energy transfer (FRET) experiments. The inhibitory activity was expressed by half-inhibitory concentration (IC50).Experiment Method1. Preparation of ROR&#947; Buffer Solution10 mL of DTT and 100 mL buffer solution were gently mixed together and ready to use.2. Preparation of Compound SolutionThe concentration of compound solution started from 7.5 mM to 0.25 mM, which was diluted by every 3 folds from 7.5 nM with 10 concentrations totally.3. Preparation of Protein Mixturea. 40 nM B-ROR&#947; LBD solution and 20 nM SA-APC solution were gently mixed together. The reaction mixture was incubated for 15 minutes at room temperature. Then 400 nM Biotin was added to the described above mixture. After gently mixed together, the resulting mixture was incubated for 10 minutes at room temperature.b. 40 nM Bioin-SRC1 solution and 10 nM SA-eu solution were gently mixed together, and the reaction mixture was incubated for 15 minutes at room temperature. Then 200 nM Biotin was added to the described above mixture. After gently mixed together, the resulting mixture was incubated for 10 minutes at room temperature.c. The described above two pre-mixes were gently mixed together with a ratio of 1:1, and the resulting mixture was incubated for 5 minutes at room temperature.d. A mixture of 0.1 &#956;M alternative agonist N-(2-chloro-6-fluorophenyl)-N-((20-methoxy-[1,10-biphenylyl]-4-substituted)methyl)benzenesulfonamide, 25 &#956;L B-ROR&#947; LBD/SA-APC and Bioin-SRC1/SA-eu mixture solution with test compound were added to one of the well of a 384-well plate, then they were centrifuged for 1 minute at 1000 rpm, and incubated at room temperature for 1 hour. 
9580	1	Enzymatic Assay	The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by serial dilution steps in 100% DMSO. Dilution factor and number of dilution steps may vary according to needs. Typically 8 different concentrations by 1:5 dilutions are prepared, a further intermediate dilutions of the substances is carried out with assay buffer resulting in 1% final DMSO concentration in the assay.0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buffer (1 mM DTT, 0.0025% Brij-35, 50 mM HEPES, pH7.5). D-Pantethine (Sigma, Cat #P2125-5G) in assay buffer is added (final concentration 3 &#956;M) and incubated for additional 30 minutes at room temperature. Total assay volume typically is 40 &#956;l but might be adjusted according to needs. Reaction is stopped by adding equal volume of stop solution as the reaction mixture to reach 100 nM HD-pantothenic acid (as an internal standard) and 1% TFA. Assay plates are centrifuged for 2 minutes and the formation of pantothenic acid is detected by RapidFire Mass Spectrometry (mobile phase A: 0.1% formic acid and 0.01% trifluoroacetic acid in water; mobile phase B: 47.5% acetonitrile, 47.5% methanol, 0.1% formic acid and 0.01% trifluoroacetic acid in water) using a C18, 12 &#956;L cartridge (Agilent Cat #G9205A).
9581	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1 nM LSD1, 50 nM H3K4mel-biotin labeled peptide (Anaspec cat #64355), 2 LM FAD in assay buffer of 50 mM HEPES. pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.
9582	1	Fluorescence Polarization Assay	Fluorescence polarization (FP) data were measured on a microplate reader (Tecan Infinite M1000, Mannedorf, Switzerland) at 27° C. For Kd measurements, serially diluted protein in FP buffer (25 mM Tris pH 8.0, 150 mM NaCl, 1 mM DTT, and 0.02% (w/v) NaN3) supplemented with 0.1 mg/mL bovine IgG (Sigma) and 0.5 mM THESIT (Fluka) is dispensed into HE low-volume, black 96-well plates (Molecular Devices) and mixed with 3 nM of fluorescently labeled peptide, F*-STA02, pre-equilibrated with FP buffer in the dark for 10-15 minutes. Plates were mixed by vibration, centrifuged for 2 minutes at 1200 g to remove air bubbles and allowed to equilibrate for 30 minutes at room temperature before measurement. For competition binding experiments, protein at a concentration of 1-3×Kd was equilibrated with 3 nM fluorescently labeled reporter peptide for 30 minutes at room temperature. Unlabeled competitor peptides were serially diluted and mixed with the protein-reporter mix. Plates were mixed by vibration, centrifuged at 1200 g for 2 minutes and allowed to equilibrate at room temperature for 30 minutes before measurement. 
9583	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nmAfter a pre-incubation of the HtrA1 protease for 30 min with compounds, substrate is added to the wells and initial RFU is measured. Upon incubation for 2 hours at RT, the enzymatic activity cleaved the substrate releasing fluorescent Mca-peptide conjugate and the final RFU value is measured. The presence of inhibitors leads to a decreased final RFU.
9584	1	Radioligand Competition Binding Assay	The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K1 cells expressing recombinant human kappa (KOR) or mu (MOR) opioid receptors.Competition binding experiments were conducted by incubating membrane protein to equilibrium in triplicate in the presence of a fixed concentration of radioligand and increasing concentrations of test compound for evaluation of binding to KOR or single concentration (10 &#956;M) of test compound for evaluation of binding to MOR in 101 &#956;L final volume. The radioligands used were specific for each receptor type, and the assay conditions are described in Table 1. Following incubations, the membranes were rapidly filtered through GF/B filter plate (presoaked with 0.5% polyethyleneimine), washed five times with cold 50 mM Tris-HCl, pH 7.5, and the bound radioactivity was then measured by liquid scintillation counting. Non-specific binding was measured in the presence of excess ligand; this value was subtracted from the total binding to yield the specific binding at each test concentration
9585	1	ATX Inhibition	ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), amplex red (50 &#956;M) and LPC 18:1 (10 &#956;M). Compounds of the invention should be prepared as 10 point serial dilutions from 1 &#956;M in duplicate and pre-incubated with ATX at 37° C. for 20 minutes prior to the addition of remaining reagents. The liberated choline was measured from changes in fluorescence intensity (&#955;ex 530 nm, &#955;em 590 nm) of the product resurofin at 37° C. every 2 minutes over a 40-minute period. ATX activity was measured as a slope of the linear portion of the progress curve, typically between 14 to 24 minutes.
9586	1	Kinase Activity Assay	Compounds of the invention were assayed for CDK7 activity at Life Technologies(Grand Island, N.Y.) using their commercially available Adapta kinase assay services. Test compounds were tested at concentrations ranging from 10 &#956;M down to 0.514 nM in a series of 3-fold serial dilutions. Details of this assay, including substrates used, are available on the Life Technologies web site.
9587	1	Enzyme Assay	The total volume of the ATG7 enzymatic assay is 50 &#956;L and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM MgCl2, 10 &#956;M ATP, 250 &#956;M GSH, 5 nM ATG3-GST, 5 nM Flag-Gabarap, 100 &#956;M TCEP and 0.15 nM recombinant human His-ATG7 enzyme. The enzymatic reaction mixture, with and without inhibitor, was incubated at 24° C. for 105 min in a 384-well plate before termination with 25 &#956;M of Stop/Detection buffer (0.1M HEPES Hemisodium pH 7.5, 0.05% Tween20, 20 mM EDTA, 410 mM KF, 0.53 nM Europium-Cryptate labeled monoclonal anti-Flag M2 Antibody (CisBio International) and 8.125 &#956;g/ml PHYCOLINK goat anti-GST allophycocyanin (XL-APC) antibody (Prozyme)). After incubation for 2 hours at 24° C., quantification of FRET is performed on the Pherostar (BMG Labtech). Percentage inhibition values at a single concentration or enzyme inhibition (IC50) values are determined from those curves. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
9588	1	Kinase Assay 	Table 2: The p38 MAPK IC50 values of selected compounds except IM-32 to IM-44 were determined using the HitHunter p38 MAP kinase binding assay from DiscoveRx Corporation (Fremont, Calif., USA). The p38 MAPK IC50 values of IM-32 to IM-44 and the CK1 IC50 values of selected compounds were determined using LanthaScreen Eu kinase binding assay from Invitrogen (Life Technologies, Carlsbad, Calif., USA). The assays were performed following the manufacturers&#39; protocols in white 384-well plates (Cat. No. 3572; Corning Incorporated, Corning, N.Y., USA). SB203580 was used as the control in all assays. For the HitHunter p38 MAP kinase binding assay the compounds were dissolved in DMSO (5 mM stocks) and diluted to a final concentration of 2% (vol/vol) DMSO for all assays. Recombinant GST-tagged active p38&#945; MAP kinase enzyme (Millipore, Billerica, Mass., USA) was used for the HitHunter p38 MAP kinase binding assay. For the LanthaScreen Eu kinase binding assay the compounds were dissolved in DMSO (5 mM stocks) and diluted to a final concentration of 1% (vol/vol) DMSO for all assays. Each data point was done in triplicate. The assay was run using JANUS Automated Workstation according to the protocol developed using WinPREP software (Perkin Elmer Inc., Waltham, Mass., USA). Tecan Infinite M1000 microplate reader (Tecan Group Ltd., Minnedorf, Switzerland) was used for luminescence measurements (HitHunter p38 MAP kinase binding assay) and fluorescence measurements (LanthaScreen Eu kinase binding assay; ex=340 nm, em=665, 615 nm). All data analysis was performed using GraphPad Prism 5 software (GraphPad Software Inc.). Inhibition curves and IC50 values were generated by nonlinear regression analysis and data represent mean±SEM.
9588	2	LanthaScreen Eu Kinase Binding Assay	Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1&#948;) and 1 epsilon (CK1&#1013;). The in vitro LanthaScreen Eu kinase binding assay was used to determine the IC50 values for 15 of the synthesized compounds and 5 commercial inhibitors including SB203580 (Table 3). Tested compounds displayed a wide range of affinity between 6.8 nM (high affinity=strong inhibition) to values over 1000 nM (low affinity=very weak inhibition). 
9589	1	AChE inhibition	To address these issues, the present disclosure relates to the development and utilization of a (&#8722;)-phenserine extended release formulation. To reach a formulation consistent with the pharmacokinetics of phenserine and its metabolites we systematically studied (&#8722;)-phenserine pharmacokinetics and assessment using acetylcholinesterase (AChE) inhibtion pharmacodynamics as an indicator of the total active drug plus metabolite activities present. Without being bound to any theory, the drug and each of the metabolites are active inhibitors of AChE. Table 1 reveals that at 34% AChE inhibition in RBCs the metabolism and the brain; plasma partitioning of drug and metabolite produce estimated brain concentrations as required in excess of the EC50 concentrations and in excess of those found in earlier studies of (&#8722;)-phenserine. These concentrations are consistent with the concentrations associated with the dosing of mice in anoxia and concussion model studies using FDA animal: human equivalent dose standards and in vitro mechanistic studies (see e.g., FDA (2005) Guidance for Industry Estimating the Maximum Safe Starting Dose in Initial Clinical Trials for Therapeutics in Adult Healthy Volunteers; available at www(dot)fda(dot)gov/downloads/Drugs/Guidances/UCM078932 (dot)pdf%23search=%27guidekines+for+industry+sfe+starting%27. Consequently, using RBC AChE inhibition as a pharmacodynamics marker of total drug/metabolite activities we have adopted a 35-50% preliminary RBC AChE inhibition as the blood biomarker target for steady-state brain effects from dosing.
9591	1	HBV DNA Quantification Assay	A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in DMEM growth medium, Dulbecco&#39;s Modified Eagle Medium without sodium pyruvate (Life Technologies, Rockville, Md.) supplemented with 10% FBS (Thermo Scientific, Waltham, Md.), 1% penicillin/streptomycin (Life Technologies, Rockville, Md.) and 2 mM L-glutamine (Life Technologies, Rockville, Md.) in T175 flasks. Cells were infected with HBV AD38 viral particles (Texcell, Frederick, USA) at 4000 genome equivalents per cell. After allowing viral infection to take place for 4 days, the infected cells were harvested from the flasks by trypsinization, washed twice with OptiMEM (Life Technologies, Rockville, Md.) and re-suspended in DMEM containing 2% FBS and 1% DMSO at a density of 0.25E6 cells/ml. Infected cells were seeded on 384 well collagen coated plates (Greiner, Austria) at a density of 20,000 cells/well containing serially diluted compounds of the present disclosure or DMSO (0.5%) in a final volume of 80 &#956;l. The assay plates were incubated for a period of 5 days and the antiviral activity of the test compounds were assayed by detecting the presence of HBV DNA in the culture supernatant using the QuantiGene 2.0 nucleic acid quantification kit (Affymetrix, Santa Clara, Calif.).The culture supernatant was harvested and treated with lysis buffer containing Proteinase K (Affymetrix, Santa Clara, Calif.). The supernatant was incubated with HBV viral DNA specific probes (Affymetrix, Santa Clara, Calif.) for 30 minutes at 55° C. This was followed by addition of 0.2M NaOH for 30 minutes at room temperature to denature the DNA, followed by addition of Neutralization buffer (Affymetrix, Santa Clara, Calif.). The resulting lysed and neutralized supernatant was then added to QuantiGene 2.0 384 well plates coated with capture oligonucleotides and incubated overnight at 55° C. The HBV specific probe set consists of Capture Extender oligonucleotides (CE&#39;s) and blocking probes. Following the overnight incubation, the wells were incubated for one hour sequentially with a Pre-Amplifier, Amplifier and Labeled probes conjugated to alkaline phosphatase with a wash step between incubations. After the final wash step, the alkaline phosphatase substrate (Luminol APS5) was added and the resulting luminescence signal was read in an EnVision Multilabel Plate Reader (PerkinElmer, Santa Clara, Calif.). The EC50 values were calculated from the fit of the dose-response curves to a four-parameter equation.
9592	1	radioligand competition assay	A well established radioligand competition assay was carried out to evaluate binding affinity of the test compounds and were compared with that of the reference agent (S)-5-OH-DPAT (Table 3). Binding affinity to rat DA D2 and D3 receptors expressed in HEK-293 cells was determined as described by us previously. Table 3 lists the binding data of new compounds. Compounds (±)-90a-c, which incorporate racemic 2-aminothiazole head group and a piperazine ring connected to the different positions of the carbazole ring, exhibited high affinity for D3 and low to moderate affinity for D2 receptors. When the positions of attachment are at carbon 2 and 3 of the carbazole moiety for compounds 90a and 90b, respectively, both the compounds displayed low affinity for D2 and high affinity for the D3 receptors with high selectivity (Ki, D2=902 nM, D3=6.18 nM, D2/D3=146 and D2=612 nM, D3=3.12 nM, D2/D3=196 for 90a and 90b, respectively). Interestingly, covalent attachment at position 4 of the carbazole ring dramatically improved the affinity for D2 while that for D3 receptor remained the same (Ki, D2=76.9 nM, D3=7.8 nM, D2/D3=9.86 for 90c). This indicated highest tolerance of the 4-substituted carbazole derivative for interaction with the D2 and D3 receptors. As expected, we observed a 2-4-fold improvement in binding affinity when enantiomerically pure aminothiazole moiety was attached to the carbazole as in (&#8722;)-91a and (&#8722;)-91b compared to their racemic counterparts (Ki, D2=504 nM, D3=3.94 nM, D2/D3=128 and D2=135 nM, D3=3.80 nM, D2/D3=35 for (&#8722;)-91a and (&#8722;)-91b respectively). However, for (&#8722;)-91c we did not observe much difference from its racemic version.Next, the effect of bioisosteric replacement of the aminothiazole moiety with aminotetraline functionality on the receptor binding of target compounds was evaluated. In corroboration with our previous results, aminotetraline substituted compounds (±)-94a-c and (&#8722;)-95a-c exhibited high affinity at both D2 and D3 receptors. For instance, the aminotetraline analogue (&#8722;)-95a has been found to have very high affinity for D2 while displaying subnanomolar affinity for D3 receptor compared to the corresponding thiazolidium counterpart (&#8722;)-91a (Ki, D2=71.2 nM, D3=0.40 nM, D2/D3=177 for (&#8722;)-95a vs D2=504 nM, D3=3.94 nM, D2/D3=128 for (&#8722;)-91a). Among the three enantiomerically pure isomers (&#8722;)-95a-c, which differ only in the substitution positions at the carbazole moiety, positions 2, 3 and 4, showed variable binding affinity at both D2 and D3 receptors (Ki, D2=71.2 nM, D3=0.40 nM for (&#8722;)-95a (D2=61.6 nM, D3=1.94 nM for (&#8722;)-95b and D2=16.9 nM, D3=0.36 nM for (&#8722;)-95c). As discussed before, substitution at the 4-position of the carbazole aromatic ring resulted in compounds 90c, (&#8722;)-91c, 94c and (&#8722;)-95c) with better D2/D3 binding affinities in comparison to other isomeric analogues with compound (&#8722;)-95c exhibiting the highest affinity among all the molecules, underscoring the importance of positional attachment to the carbazole ring. Finally, the binding affinities were evaluated for another series of compounds in which the piperazine ring of the agonist fragment was appended directly to the carbazole nitrogen atom through a methylene linker. As shown in Table 3, enantiomeric compound (&#8722;)-101 displayed relatively higher binding affinity at D2 and comparable affinity at D3 receptor with moderate selectivity compared to the racemic compound (±)-100 (Ki, D2=435 nM, D3=6.60 nM, D2/D3=65.9 and D2=82.6 nM, D3=7.18 nM, D2/D3=12 for 100 and (&#8722;)-101, respectively).
9593	1	Biological Activity of Selected Compounds of the Invention	Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt&#39;s) lymphoma cells, a cell line known to highly express MCT1 and to be sensitive to small molecule MCT inhibitors,4 are shown in Table 3. Assay protocols follow those described in the literature.4 Other assays that are not described here but that are standard in the field, such as an assay for competitive inhibition of transport of radiolabeled lactic acid, an MCT substrate, may also be useful in establishing mechanism of action of these compounds.
9594	1	antiviral activity	Several derivatives of EIDD-01931 have shown antiviral activity in screening against various viruses. Activity data is shown in the tables below. Norovirus SARS Coronavirus GT1 Orbani HG23 Vero 76.
9594	2	CPE Assay	Primary cytopathic effect (CPE) reduction assay. Four-concentration CPE inhibition assays are performed. Confluent or near-confluent cell culture monolayers in 96-well disposable microplates are prepared.
9595	1	Activity of Compound 1A and 1B Against Coronavirus in BHK-21	Compound activity against coronavirus was based on inhibition of virus induced cytopathogenicity acutely infected with a multiplicity of infection (m.o.i.) of 0.01. After a 3-day incubation at 37° C. cell viability was determined by the MTT method as described by Pauwels et al. (J. Virol. Methods 1988, 20, 309-321).To determine the cytotoxicity, cells were seeded at an initial density of 1×106 cells/mL in 96 well plates containing Minimum Essential Medium with Earles&#39;s salts (MEM-E), L-glutamine, 1 mM sodium pyruvate and 25 mg/L kanamycin, supplemented with 10% fetal bovine serum. Cell cultures were then incubated at 37° C. in a humidified 5% CO2 atmosphere in the absence or presence of serial dilutions of test compounds. Cell viability was determined by the MTT method.
9595	2	Activity of Compound 1A and 1B Against Coronavirus in MES-21 Cells	Compound activity against coronavirus was based on inhibition of virus induced cytopathogenicity acutely infected with a multiplicity of infection (m.o.i.) of 0.01. After a 3-day incubation at 37° C. cell viability was determined by the MTT method as described by Pauwels et al. (J. Virol. Methods 1988, 20, 309-321).To determine the cytotoxicity, cells were seeded at an initial density of 1×106 cells/mL in 96 well plates containing Minimum Essential Medium with Earles&#39;s salts (MEM-E), L-glutamine, 1 mM sodium pyruvate and 25 mg/L kanamycin, supplemented with 10% fetal bovine serum. Cell cultures were then incubated at 37° C. in a humidified 5% CO2 atmosphere in the absence or presence of serial dilutions of test compounds. Cell viability was determined by the MTT method.
9596	1	Radioligand Binding Assays	IC50 Values for Example 1 and the Reference Compound 3-(3,4-Dichlorophenoxy)Azetidine Hydrochloric Acid Salt Employing Radioligand Binding Assays Using Cells Expressing Human Transporters and ReceptorsIn another binding study employing the same assays for the three monoamine transporters as described herein above, one of the compounds of the invention (Example 1A) was tested at different concentrations in order to obtain dose-response curves. Furthermore, the above mentioned Reference Compound was tested in the same assays at different concentrations and the IC50 values of both of the compounds are presented in Table 6.
9597	1	nhibition Assay against Klebsiella pneumoniae LpxC	LpxC inhibition assays were performed using liquid chromatography with tandem mass spectrometry. Assays were performed, in duplicate, in opaque, 96-well microplates in a total assay volume of 50 &#956;L. The incubation mixture contained: LpxC (0.2 nM Kpn), 0.8 &#956;M UDP-3-O [(R)-3-hydroxymyristoyl]-N-acetyl-glucosamine, 40 mM Bis-Tris/HCl buffer (pH 5.9), 5 mM sodium phosphate buffer (NaH2PO4/Na2HPO4, pH 7.0), 1 mM DTT, 0.1% (w/v) fatty-acid free BSA, 10% DMSO (v/v, with or without compound). The reactions were incubated at 22° C. for 60 minutes (with mild shaking), then terminated by the addition of 25 &#956;L 0.25 N HCl. Samples were analyzed using a LC-MS system to measure native LpxC substrate and reaction product. IC50 analysis was done using GeneData Screener and a four parameter variable slope normalized to controls. Test compounds were prepared as 8-point dose-response curves (factor dilution 2) in triplicate, starting at 1 &#956;M final concentration. Each assay plate included 6 wells used for the Z&#8242; factor calculation, 3 as a positive control for the assay and 3 as a negative control. The robustness was calculated as the median Z&#8242; factor for 5 plates. Chir-90, a well-known inhibitor of LpxC activity was used as inhibitor control standard.
9599	1	Factor XIIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the IC50, the inhibitor concentration causing a 50% decrease in Factor XIIa protease activity.Factor XIIa activity determinations were made in 50 mM HEPES buffer containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific) at pH 7.4. Determinations were made using purified human Factor XIIa at a final concentration of 500 pM (Sekisui Diagnostics) and the synthetic substrate, n-Acetyl-Lys-Pro-Arg-AFC, TFA salt (Sigma #C6608) at a concentration of 100 &#956;M.Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804;0.1 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. Initial velocities of product formation in the absence (Vo) or presence of inhibitor (Vi) were measured. IC50 was determined as the concentration of I yielding Vi=Vo/2.
9600	1	BTK Assay	An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of substrate. Assays were assembled in 384 well plates where 6 nM of full-length human His-tagged BTK (Life Technologies cat # PV3587) and test compound at varying concentrations were preincubated for 15 minutes at 28° C. Then, 1 uM of TK substrate-biotin and 30 uM ATP were added and incubated for an additional 30 minutes at 28° C. Phospohrylation was detected by adding 62.5 nM Streptavidin-XL665 and TK-Antibody Cryptate diluted 1:100 in HTRF detection buffer (Cisbio cat #62SDBRDF) and incubated for 60 minutes at RT. The plate was read on an Envision plate reader and the fluorescence is measured at 620 nm (cryptate) and 665 nm (XL665). A ratio is calculated (665/620) and converted to POC relative to control and blank wells.Assay Buffer:50 mM HEPES (Invitrogen #15630), 0.01% Brij-35 (sigma # B4184), 10 mM MgCl2 (Sigma M1028), 1 mM EGTA (Ambion AM9262) and 100 uM sodium orthovanedate (Sigma S6508), 1 mM DTT (Sigma D5545) and 10 nM supplement enzyme buffer (Cisbio cat #61SEBALB).
9601	1	Cellular gamma-Secretase Assay	Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 &#956;l in 96-well plates in IMDM media containing 10% FCS, 0.2 mg/l Hygromycin B and incubated at 37° C., 5% CO2.3-4 hr post plating, compounds are a diluted in media and 50 &#956;l is added as 1.5-fold concentrate to achieve the final concentration. Compound incubation is performed for 24 hr. Final doses typically range from 4 &#956;M down to 0.0013 &#956;M in half-log steps resulting in a eight point dose response curve.Appropriate controls using vehicle only and reference compound were applied to this assay. The final concentration of Me2SO was 0.4%.After incubation at 37° C., 5% CO2, the supernatant was subjected to quantification of secreted A&#946;42 by the means of an AlphaLisa assay kit (Human Amyloid beta 1-42 Kit: Cat #AL203C, Perkin Elmer). 20 &#956;l of the cell culture supernatant was transferred to an assay plate. Then 10 &#956;l of a mixture of the AlphaLisa coupled capture antibody and the biotinylated detection antibody was added and incubated for 3 hours at room temperature while softly shaking the assay plate. After a further addition of 20 &#956;l of the Donor beads the assay plate was incubated for 30 min at room temperature and constant shaking without exposure to direct light. The assay plate was then read on a Paradigm AlphaLisa Reader using the build-in program with excitation at 680 nm and emission at 570 nm.The measured signals were then used to calculate IC50 values for inhibition of A&#946;42 secretion by nonlinear regression fit analysis using XLfit 5.3 software (IDBS).
9602	1	RIPK2 Inhibition Assay	Active RIPK2 was purchased from Life Technologies as His-tagged of catalytic domain (amin acids 1-299) of human RIPK2 kinase expressed in insect cells Amino terminal 6 histidine, sumo tagged human TTK (residues 1-275) was expressed in E. coli, and purified to >95% homogeneity by Ni2+ agarose, gel filtration, and ion exchange chromatography.RIPK2 activity was measured using an indirect ELISA detection system. His-RIPK2 (0.6 nM) was incubated in the presence of 6 &#956;M ATP (Sigma cat #A7699), 20 mM Hepes, pH 7.5, 1 mM EGTA, 2.5 mM MgCl2, 2.5 mM MnCl2 and 0.01% Triton X-100 in a 96 well microtitre plate pre-coated with amino terminal 6 histidine, sumo tagged TTK (amino acid residues 1-275). The reaction was allowed to proceed for 30 minutes, followed by 5 washes of the plate with Wash Buffer (phosphate buffered saline supplemented with 0.2% Tween 20), and incubation for 30 minutes with a 1:3000 dilution of primary antibody (Cell Signaling cat #9381). The plate was washed 5 times with Wash Buffer, incubated for 30 minutes in the presence of secondary antibody coupled to horse radish peroxidase (BioRad cat #1721019, 1:3000 concentration), washed an additional 5 times with Wash Buffer, and incubated in the presence of TMB substrate (Sigma cat #T0440). The colorimetric reaction was allowed to continue for 5 minutes, followed by addition of stop solution (0.5 N H2SO4), and quantified by detection at 450 nm with either a monoChromatic or filter based plate reader (Molecular Devices M5 or Beckman DTX880, respectively).Compound inhibition was determined at either a fixed concentration (10 &#956;M) or at a variable inhibitor concentration (typically 50 &#956;M to 0.1 &#956;M in a 10 point dose response titration). Compounds were pre-incubated in the presence of enzyme for 15 minutes prior to addition of ATP and the activity remaining quantified using the above described activity assay. The % Inhibition of a compound was determined using the following formula; % Inhibition=100×(1&#8722;(experimental value&#8722;background value)/(high activity control&#8722;background value)). The IC50 value was determined using a non-linear 4 point logistic curve fit (XLfit4, IDBS) with the formula; (A+(B/(1+((x/C){circumflex over (&#8195;)} D)))), where A=background value, B=range, C=inflection point, D=curve fit parameter.
9603	1	Pim-1 Kinase Inhibition Assay	One illustrative manner in which Pim-1 kinase activity can be determined is by quantifying the amount of ATP remaining in solution after an in vitro Pim-1 kinase reaction. The Kinase-Glo Assay Kit (Promega, Inc., Madison, Wis.) allows this. The amount of ATP remaining in the solution after the kinase reaction serves as a substrate for the luciferase to catalyze luciferin to oxyluciferin plus one photon of light. Thus, the luminescent signal read by the Luminoskan Ascent Instrument (Thermo Electron Corp., Milford, Mass.) correlates with the amount of ATP present after the kinase reaction and inversely correlates with the amount of kinase activity. This assay is efficient at determining the IC50 values of kinase inhibitors against the Pim-1 kinase. These assays are set up in duplicate 50 ul volumes in white, flat bottom 96 well plates. Inhibitors are added to the solution of 1× kinase buffer, 10 uM ATP, 100 uM Pim-1-specific substrate, 50 ng of active Pim-1 enzyme, and water in serial dilutions ranging from micromolar to nanomolar concentrations. This solution is incubated at 30 degrees Celsius at 360 rpm for two hours. Following the incubation, 50 ul of Kinase-Glo reagent is added to each well, including all positive and negative control wells, and incubated at room temperature for 15 minutes. The plate is then read by the Luminoskan Ascent instrument and the results displayed with the Ascent Software version 2.6. The IC50 values can then be calculated for each inhibitor tested. For Ki determination, PIM-1 were incubated with 10-dose, 3-fold serial dilutions of compound starting with 10 &#956;M using 5 different concentrations of ATP (25, 50, 100, 250 and 500 &#956;M ATP for PIM-1; 5, 10, 20, 50 and 100 &#956;M ATP for PIM-2 and PIM-3), and the activity was measured at 0, 5, 10, 15, 20, 30, 45, 60, 75, 90, 105 and 120 minutes. The data was analyzed in a Michaelis-Menton plot to determine apparent Km and Ki values using GraFit software using a mixed inhibition equation for global fit.
9603	2	hERG Activity Assays	Representative compounds were tested for hERG activity using the Fast Patch assay available from WuXiApptec (Shanghai China). 
9604	1	Phosphodiesterase (PDE) 2A and 10 Assay with Fluorescent Substrate	The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for 3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds were serial diluted in DMSO. With an intermediate dilution step with reaction buffer DMSO concentration was reduced to achieve 1% DMSO in the assay reaction. Setup of the assay started with 10 &#956;l enzyme ( 10 ng/well, depending on prep. batch), 5 &#956;l compound, reaction was started by addition of 5 &#956;l labeled cAMP (30 nM, final concentration), immediately mixed for 15 seconds on a Eppendorf mixmate (2000 rpm) followed by an incubation at room temperature for 90 minutes in the dark. Reaction is stopped by adding of 60 &#956;l binding buffer for FP/cAMP (kit component). After at least 90 min of further incubation (room temperature, dark) the assay was measured at 485 nm excitation/525 nm emission in an Envision multilabel reader (PerkinElmer).Each assay plate contained wells with vehicle controls (1% DMSO) for the measurement of non-inhibited reaction (=100% control) and wells without enzyme as 0% controls.The analysis of the data was performed by calculation of the percentage of inhibition in the presence of test compound compared to the vehicle control samples (100% control, no inhibition) and a low control (0% control, no enzyme).
9606	1	GILZ gene assays	HUT78 cells were cultured in IMEM plus 20% heat inactivated FBS and cell density was maintained between 0.1 to 1.2 million/mL. 786-O cells were cultured in RPMI plus 10% heat inactivated FBS. Actively growing cells were harvested and resuspended in HBSS with 2% FBS at 1.1 million cells per mL then dispensed to 384-well V-bottom plates at 45 &#956;L per well. Serially diluted ADC solution was added to the cell plate (5 &#956;L per well) and mixed for 2 min. Cells were then cultured at 37° C., at 5% CO2 for a designated time before supernatant was removed. Cells were harvested in lysis buffer from the Cells-to-Ct kit (40 &#956;L, Life Technologies, 4391851C) following the supplier&#39;s protocol and mixed for 10 min followed by addition of 5 &#956;L per well of stop solution from the kit. cDNA was synthesized with a reverse transcription kit (Life Technologies, 4391852C) follow by qPCR using the TaqMan gene expression master mix (Life Technologies, 4369016) with GILZ gene assay (Life Technologies, Hs00608272_m1) and GAPDH assay (Hs2758991_g1) in a duplex format with 3-4 technical replicates.Determination of apparent permeability was as follows. MDCKII cells (kindly provided by the Netherlands Cancer Institute, under a licensing agreement) were seeded on to 96-well transwell culture plates (Millipore Corp, Billerica, Mass.) and used in experiments after five days in culture. Test compound (1 &#956;M) was prepared in Hank&#39;s Balanced Salt Solution (HBSS), 10 mM (4-(2-hydroxyethyl)-1-piperrazineethanesulfonic acid) (HEPES, pH 7.4), with 10 &#956;M cyclosporine A (to inhibit endogenous transport) and 1.2 &#956;M dextran Texas red (to confirm monolayer integrity). Substrate solution (150 &#956;L) was added to either the apical (A) or the basolateral (B) compartment of the culture plate, and buffer (150 &#956;L; HBSS, 10 mM HEPES, pH 7.4) with 10 &#956;M cyclosporine A was added to the compartment opposite to that containing the substrate. At t=3 hr, 50 &#956;L samples were removed from both sides of monolayers dosed with test compound and placed in 96 well plates, 50 &#956;L internal standard (1 &#956;M labetolol) and 100 &#956;L HBSS was added to the samples. Samples were analyzed by LC/MS/MS using an Applied Biosystems SCIEX API 5000 triple quadruple mass spectrometer (Concord, ON, Canada) with a TurbolonSpray ion source in the positive ion mode. A Thermo Scientific Transcend LX-2 system (Franklin, Mass.) was coupled to the API 5000 with a flow rate of 800 &#956;L/min to direct sample into the mass spectrometer.
9607	1	Inhibition Assay	Recombinant HDACs 1, 2, and 3 (BPS Biosciences) were diluted to a concentration of 1 nM in HDAC buffer. 10 uL of this solution was added in 96-well format to black U-bottom plates. 10 uL of serially diluted inhibitor was added and a 2 hour pre incubation occurred at room temperature. 50 &#956;M (final) of Acetylated Lysine-Aminomethyl coumarin-BOC in HDAC buffer solution was added and a second 2 hour incubation occurred at room temperature. 5 mg/mL trypsin, 1 &#956;M trichostatin A solution in HDAC buffer was added to quench the reaction. Fluorescence was read at 360 (ex.)/460 (em.) using a Tecan M200 Pro. Data were normalized to control wells containing no inhibitor. IC50&#39;s were determined using GraphPad Prism&#39;s built in log(inhibitor) vs. normalized response Variable slope function.
9608	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nmAfter a pre-incubation of the HtrA1 protease for 30 min with compounds, substrate is added to the wells and initial RFU is measured. Upon incubation for 2 hours at RT, the enzymatic activity cleaved the substrate releasing fluorescent Mca-peptide conjugate and the final RFU value is measured. The presence of inhibitors leads to a decreased final RFU.For the analysis &#916;RFU is calculated as RFUend&#8722;RFUstat and then percent inhibition is calculated with the following formula:PCT_Inhibition=100&#8722;100*(&#916;RFUcompound&#8722;&#916;RFUblank)/(&#916;RFUnegctrl&#8722;&#916;RFUblank)whereneg.ctrl is protease with substrate and DMSOblank is as neg. ctrl without proteasecompound is as neg. ctrl with test compounds at desired concentrationThe IC50 is determined using a 4-point Hill-fit equation wherex=concentration of test compoundA=extrapolated value of the curve at effector concentration equals 0B=extrapolated value of the curve at effector concentration equals infiniteC=concentration at the inflection point of the sigmoidal curve (IC50)D=Hill coefficient of slope at the inflection point of the fitted curve
9609	1	Enzyme Inhibition	Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The rate of NADPH oxidation was measured spectrophotometrically at 340 nm in assay buffer containing 20 mM TES pH 7.0, 50 mM KCl, 10 mM 2-mercaptoethanol, 0.5 mM EDTA and 1 mg/mL bovine serum albumin. All measurements were performed at room temperature by adding pure enzyme (2 mg/mL), 100 &#956;M NADPH and 100 &#956;M DHF to the buffer. For inhibition assays, inhibitors, dissolved in 100% DMSO, were added to the mixture and incubated for 5 minutes before the addition of DHF. Average IC50 values and standard deviations were measured in triplicate.
9610	1	Potency Activity Assay	A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluorescent assay. The recombinant &#946;-secretase enzyme was diluted 1:200 in 1× assay buffer (1 part of 1× assay buffer and 1 part of TBS containing 0.1% Tween 20). The enzyme was added in a volume of 40 &#956;l to each well of a black 96-well micro plate.The BACE1 inhibitors were serially diluted into DMSO from their 10 mM stock concentrations in DMSO. The serially diluted inhibitors were diluted 1:100 into 1× assay buffer in a 96-well polypropylene plate (assay dilution plate). The final concentration of the BACE1 inhibitor tested was 300 nM, 100 nM, 30 nM, 10 nM, 3 nM, 1 nM 0.3 nM, and 0.00 nM. Dose responses for inhibitors were run in duplicate.A volume of 10 &#956;l of the inhibitor from the assay dilution plate, a control inhibitor LY2886721 or inhibitor vehicle was then added to each well of the black 96-well micro plate containing BACE1.
9610	2	Activity Assay	A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent assay. To each well of a black 96-well micro plate, 50 &#956;l of the &#946;-secretase substrate (Hylite Fluor 488) diluted 1:100 using assay buffer was first added.The compounds were serially diluted (1:2) into DMSO from their 10 mM stock concentrations in DMSO. The serially diluted inhibitors were diluted 1:100 into 1× assay buffer in a 96-well polypropylene plate (assay dilution plate). The final concentration of these compounds tested was 300 nM, 150 nM, 75 nM, 37.5 nM, 18.75 nM, 9.375 nM, 4.688 nM, 2.344 nM, 1.172 nM, 0.586 nM, and 0.293 nM.A volume of 10 &#956;l of the inhibitor from the assay dilution plate, a control inhibitor LY2886721 or inhibitor vehicle was then added to each well of the black 96-well micro plate.The recombinant BACE2 was diluted in an assay buffer and the final BACE2 was 10.6 nM. The enzyme was added in a volume of 40 &#956;l to each well of a black 96-well micro plate.The reagents were mixed gently and the assay plate was placed into a POLARstar fluorescent plate reader with excitation wavelength set at 485 nm and the emission wavelength set at 520 nm. The plate reader was set to take readings every 5 minutes for up to 30 minutes or a 30 minute endpoint reading was used.
9610	3	Activity Assay	Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of intracellular and extracellular proteins. Thus inhibition of CatD may lead to unwanted pathophysiological conditions. CatD plays a role in the generation of biologically active peptides, the processing of exogenous antigens and to a smaller extent the beta-amyloid precursor protein. The development of a CatD activity assay is used to determine any potential cross reactivity for compounds selected from the &#946;-secretase activity assay and to determine the selectivity to BACE1 inhibition.
9611	1	Kinase Inhibitory Activity Assay	The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured.The inhibitory activity of the compounds against mutant proteins, such as FLT3 WT and ITD, was evaluated based on the LanthaScreen technology developed by Thermo Fisher Scientific Inc. This assay is based on the binding of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to kinase, and signals of fluorescence resonance energy transfer (FRET) were measured in the presence of europium-conjugated antibody. This experiment was carried out on a 384-well plate in conditions including 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 1% DMSO. After measuring the background signal in the absence of proteins such as FLT3 or FLT3-ITD and measuring the non-inhibition signal by adding only the solvent (1% DMSO), an evaluation compound was used at a set concentration (for example, 50 nM to 0.05 nM, 1:10 dilution) to calculate the kinase inhibitory activity of the evaluation compound as IC50.
9612	1	Enzymatic Assay	Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 &#956;L volume by adding 6 JAL of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 &#956;L of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision plate reader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 &#956;s delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe A in each well. 
9613	1	Inhibition of Kinase Activity	Compounds of the invention were assayed for activity against a variety of different kinases.
9614	1	Binding Assay	225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concentration 0.3% DMSO) were added in each well of a 384-well white/clear bottom microplate (3706, Corning). Jump-In HEK Cell membranes (final reaction amount: 2 &#956;g protein/well), SPA beads (final reaction amount: 0.2 mg/well) and the buffer were mixed and the mixed solution was left still for more than or equal to 1 h at 4° C. Then, 50 &#956;L of the mixture was added to each well of the plate. In addition, 25 &#956;L of 3.6 nM [3H]-Metylspiperone (final concentration: 1.2 nM) was added to each well. The plate was sealed by putting TopSeal-A 96/384 well (6050185, PerkinElmer) on the top of the plate, mixed using stirring deaerator (Welltornado, FK-62, Sakaki) and incubated for 120 min at 25° C. After incubation, the radioactivity of [3H]-Metylspiperone which was binded to D2 receptor was determined by liquid scintillation counter (1450 Microbeta, PerkinElmer) in each well. Non-specific binding was calculated based on the radioactivity of [3H]-Metylspiperone in the presence of 10 &#956;M non-labeled Butaclamol. The total binding was calculated using the radioactivity of [3H]-Metylspiperone in the absence of the compounds of the present invention (Vehicle). The Ki values were calculated from dose-response curves.
9614	2	Binding Assay	225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concentration 0.3% DMSO) were added in each well of a 384-well white/clear bottom microplate (3706, Corning). Jump-In HEK Cell membranes (final reaction amount: 4 ug/well), SPA beads (final reaction amount: 0.2 mg/well) and Tris-HCl buffer were mixed and the mixed solution was left still for more than 60 min at 4&deg; C. Then, 50 uL of the mixture was added to each well of the plate. In addition, 25 uL of 6 nM [3H]-Metylspiperone (final concentration: 2 nM) was added to each well. The plate was sealed by putting TopSeal-A 96/384 well (6050185, PerkinElmer) on the top of the plate, mixed using stirring deaerator (Welltornado, FK-62, Sakaki) and incubated for 120 min at 25&deg; C. After incubation, the radioactivity of [3H]-Metylspiperone which was binded to D3 receptor was determined by liquid scintillation counter (1450 Microbeta, PerkinElmer) in each well. Non-specific binding was calculated based on the radioactivity of [3H]-Metylspiperone in the presence of 10 uM non-labeled Butaclamol. The total binding was calculated based on the radioactivity of [3H]-Metylspiperone in the absence of the compounds of the present invention (Vehicle). The Ki values were calculated from dose-response curves.
9615	1	Enzyme Assays and Inhibition Studies	Cloning and Expression of the 3CL Protease of SARS-CoV-2 and FRET Enzyme Assays. The codon-optimized cDNA of full length of 3CLpro of SARS-CoV-2 (GenBank number MN908947.3) fused with sequences encoding six histidines at the N-terminal was synthesized by Integrated DNA (Coralville, IA). The synthesized gene was subcloned into the pET-28a(+) vector. The expression and purification of SARS-CoV-2 3CLpro were conducted following a standard procedure described previously. Briefly, a stock solution of an inhibitor was prepared in DMSO and diluted in assay buffer composed of 20 mM HEPES buffer, pH 8, containing NaCl (200 mM), EDTA (0.4 mM), glycerol (60%), and 6 mM dithiothreitol. The SARS-CoV-2 protease was mixed with serial dilutions of the inhibitor or with DMSO in 25 &#956;L of assay buffer and incubated at 37 °C for 1 h, followed by the addition of 25 &#956;L of assay buffer containing the substrate (FAM-SAVLQ/SG-QXL520, AnaSpec, Fremont, CA). The substrate was derived from the cleavage sites on the viral polyproteins of SARS-CoV. Fluorescence readings were obtained using an excitation wavelength of 480 nm and an emission wavelength of 520 nm on a fluorescence microplate reader (FLx800; Biotec, Winoosk, VT) for 1 h following the addition of the substrate. Relative fluorescence units were determined by subtracting background values (substrate-containing well without protease) from the raw fluorescence values, as described previously.25 The dose-dependent FRET inhibition curves were fitted with a variable slope using GraphPad Prism software (GraphPad, La Jolla, CA) in order to determine the IC50 values of the compounds. The expression and purification of the 3CLpro of MERS-CoV and the FRET enzyme assays were performed as described previously.
9616	1	SARS-CoV-2 Protease FRET Assay	Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; see ref 42. The FRET substrate was synthesized according to the methods previously described in ref 42. The IC50 values for each inhibitor tested were determined using methods described previously in ref 42 via a FRET-based kinetic assay with a 30 min inhibitor incubation period prior to the addition of the substrate. GraphPad Prism software (GraphPad 8.3.1) was used to determine the IC50. Compounds were tested at eight different concentrations (100 to 0.00001 &#956;M). Triplicate experiments were performed for each data point, the appropriate Hill slopes were generated, and the value was presented as a mean ± standard error.
9617	1	fluorescence resonance energy transfer (FRET)-based CoV-2 3CLpro inhibition assay	SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highly sensitive FRET based protease assay was developed to identify inhibitors of 3CL proteases based on a published protocol. The peptide substrate (Dabcyl)KTSAVLQSGFRKM(Glu)(EDANS) was synthesized by Genscript (USA). The test compounds were 3-fold serially diluted in 100% DMSO to 15 concentrations, starting at 3.33 mM. 1.5 &#956;l of the serially diluted compounds were transferred to a black 384 well assay plate (Cat. 781900, Greiner). 23.5 &#956;l of 2.13X concentration of SARS-CoV-2 Chis-3CLpro enzyme prepared in assay buffer was added to the compounds and incubated for 30 mins at 25 &#9702;C. 25 &#956;l of 2X concentration of peptide substrate was added to the assay plate and incubated at 37 &#9702;C for 1.5 h. The final assay contained 12.5 nM of enzyme, 6 &#956;M substrate and 3% DMSO in assay buffer containing 50 mM HEPES at pH 7.5, 100 mM NaCl, and 0.01% Triton X-100 and 1 mM DTT. The starting test compound concentration started at 100 &#956;M. The FRET signal was measured using an excitation wavelength of 340 nm (UV[TRF] 340/60 nm, Barcode 101), emission wavelength of 490 nm (DSPPsion 486/10 filter, Barcode 220) and Lance/DELFIA D400 single mirror (Barcode 412) on Envision plate reader (2104 EnVision Multilabel Plate Readers, Perkin Elmer). The dose response curves were fitted with a variable slope using GraphPad Prism software (GraphPad, USA) to determine a compound s IC50.
9617	2	Literature assay	The assays are from references cited in this article.
9619	1	Enzyme Assay	Wildtype and V804M mutant: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve. 
9619	2	Enzyme Assay	The potency of a compound inhibiting G81 OR mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G81OR mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
9620	1	Binding Assay	ssays were performed as described previously with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &#956;M and 4 &#956;l transferred to low-volume 384-well plates (PROXIPLATE-384 Plus, PerkinElmer, USA), followed by 4 &#956;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were sealed and incubated at room temperature for 30 minutes, before the addition of 4 &#956;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2), and BRDT: H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH; peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &#956;l of streptavidin-coated donor beads (25 &#956;g/ml) and 4 &#956;l nickel chelate acceptor beads (25 &#956;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERASTAR FS plate reader (BMG Labtech, Germany) using an ALPHASCREEN 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GRAPHPAD Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &#956;l reaction volume.
9621	1	Enzyme Inhibition Assay	Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:    1) Prepare indicated substrate in freshly prepared Base Reaction Buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO).    2) Deliver cofactors (1.5 mM CaCl2, 16 ug/mL Calmodulin, 2 mM MnCl2) to the substrate solution above    3) Deliver indicated kinase into the substrate solution and gently mix    4) Deliver varying concentrations of test compound in DMSO into the kinase reaction mixture    5) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;L final) into the reaction mixture to initiate the reaction    6) Incubate kinase reaction for 120 min at room temperature    7) Reactions are spotted onto P81 ion exchange filter paper (Whatman #3698-915)    8) Unbound phosphate is removed by washing filters extensively in 0.75% Phosphoric acid.    9) 33P signal was determined using Typhoon phosphorimagers (GE Healthcare). After subtraction of background derived from control reactions containing inactive enzyme, IC50 values were determined using the nonlinear regression function in Prism (Graphpad software).
9622	1	Inhibitory Activity Assay	1. In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Principles and Methods of PD-1/PD-L1 Small Molecule Inhibitors1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.2) Experimental method: The specific method can be referred to Cisbio&#39;s PD-1/PD-L1 Kit (item 64CUS000C-2). Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 &#956;l of diluent or target compound diluted with diluent was added to each well, and then 4 &#956;l of PD-1 protein and 4 &#956;l of PD-L1 protein were added per well, incubated for 15 min at room temperature; and 10 &#956;l of a mixture of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h to 4 h at room temperature and the fluorescence signals at 665 nm and 620 nm were measured with an Envison instrument. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
9623	1	Biological Activity Assay	Assaying the inhibition of KDM1A can be determined in vitro, in cultured cells, and in animals. There are a variety of spectrophotometric methods to detect the results of demethylation of methylated lysines, viz., detecting the products of KDM1A demethylase oxidative activity on a peptide fragment of at least 18 amino acid representing the N-terminus of the histone H3 substrate that contains a monomethyl at the fourth lysine residue. Hydrogen peroxide, one product of the KDM1A demethylase reaction, reacts with horseradish peroxidase and dihydroxyphenoxazine (ADHP) to produce the fluorescent compound resorufin (excitation=530-560 nm:emission=590 nm). The KDM1A demethylase enzyme activity can obtained from mammalian cells or tissues expressing KDM1A from an endogenous or recombinant gene and purified or assayed from a whole cell extract. These methods can be used to determine the concentration of the disclosed compounds can inhibit fifty percent of the enzyme activity (IC50). In one aspect, the disclosed compounds exhibit inhibition fifty percent of the KDM1A enzyme activity at a concentration of less than 500 nM, less than 100 nM, less than 50 nM or less than 10 nM.
9624	1	Binding Assay	All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK293 cells expressing either mCB2 or hCB2, respectively via competition-equilibrium binding using [3H]CP-55,940. Results are analyzed using nonlinear regression to determine ligand IC50 (Prism by GraphPad Software, Inc.).
9625	1	Homogenous Time-Resolved Fluorescence (HTRF) binding assay	The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD8O-His/PD-L1-Ig (100 & 10 nM, respectively).
9626	1	Inhibitory Activity Assay	1. Methods(1) 4 &#956;L of prepared kinase buffer solution or 4 &#956;L of kinase solution (100% inhibition control) were added into a 384-hole plate; 2 &#956;L of the compound or 2 &#956;L of buffer without the compound (0% inhibition control) was added into the holes; 2 repetitive holes were set for all the samples or control above.(2) Incubated at 25° C. for 5 min;(3) 2 &#956;L of ATP/substrate/MgCl2/MnCl2/SEB/DTT mixed solution were added into the holes;(4) Centrifugated at 1000 rpm for 1 min, and incubated by vibration at 30° C. for 30 min;(5) 8 &#956;L of XL-665/antibody mixed solution were added into the holes;(6) Incubated at 25° C. for 1 h;(7) The signals at 665 nm and 620 nm were read on PHERAstar FS;(8) The data was analyzed according to the instructions of the kit, and the fitting calculation of IC50 was performed using GraphPad Prism5.
9627	2	In Vitro Assay	Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) with 300 &#956;M S-2366 (pyroGlu-Pro-Arg-pNA, Chromogenix).
9627	1	In Vitro Assay	Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/mL, respectively in the same buffer containing 150 mM NaCl, 2 mg/mL PEG6000, 50 mM Tris-HCl (pH7.4), except that the reactions were started with 300 &#956;M S-2222 (phenyl-Ile-Glu-Gly-Arg-pNA, Chromogenix) and 300 &#956;M S-2366, respectively.
9628	1	Enzyme Inhibition Assay	Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C.
9629	1	Biochemical Assay	The biochemical JAK family enzyme binding assays carried out at DiscoveRx.
9630	1	Inhibition AlphaScreen Assay	This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (PerkinElmer). A mix consisting of 20 nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated p53-peptide and GST-MDM2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. 
9631	1	Biochemical Protease Assay	MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) purified from baculovirus-infected insect cells. The tetrapeptide LRSR is coupled to AMC (7-amino-4-methylcoumarin) and provides a quenched, fluorescent substrate for the MALT1 protease (SM Biochemicals). Cleavage of AMC from the Arginine residue results in an increase in coumarin fluorescence measured at 460 nm (excitation 355 nm). The final assay buffer consisted of 10 nM FL MALT1 protein, 200 &#956;M Ac-LRSR-AMC, 50 mM Tris pH 7.5, 0.6 M Citrate, 1 mM DTT, 1 mM EDTA, 0.05% BSA and 1.5% DMSO. Test compounds were spotted at 50 nL in 100% DMSO per well of a black 384-Proxiplate (Perkin Elmer). Test compound concentrations ranged from 30 &#956;M to 0.5 nM using 11 dilution steps (1:3). Background signal was measured from control wells containing assay buffer without enzyme which functions as low control (LC). High control (HC) values were generated using the reaction with enzyme but no compound treatment. Compounds were pre-incubated with MALT1 enzyme for 50 minutes at RT. Substrate was added subsequently and fluorescence was measured in Labsystems fluoroskan at excitation 355 nm and emission 460 nm to determine time 0. The reaction was subsequently incubated for 4 h at RT and fluorescence was measured. For ICso calculations, timepoint 0 was subtracted from the 4 h timepoint to correct for any potential autofluorescence of the compounds. The enzyme reaction was linear during the 4 h incubation period. Characterization of the substrate Ac-LRSR-AMC determined the Michaelis constant KM at 200 &#956;M.
9632	1	Radioligand binding assay	Radioligand binding assay. Human CGRP receptors expressed (consisting of CRLR and RAMP1) in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM HEPES, pH 7.4, 5 mM MgCl2, 0.2% BSA) to a final assay concentration of 0.6 &#956;g protein per well. Saturation isotherms were determined by the addition of various concentrations of 3H-telcagepant (Ho et al, The Lancet, 2008, 372, 2115) (in a total reaction volume of 250 &#956;L) for 60 min at rt. At the end of the incubation, membranes were filtered onto a unifilter, a 96-well white microplate with bonded GF/B filter pre-incubated with 0.5% PEI, with a Tomtec cell harvester and washed 5 times with distilled water. Non-specific binding (NSB) was measured in the presence of 10 nM MK-3207 hydrochloride (CAS No. 957116-20-0). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For inhibition experiments, membranes were incubated with 0.5 nM 3H-telcagepant and 10 concentrations of the inhibitory compound (0.001-10 &#956;M). IC50 values were derived from the inhibition curve and the affinity constant (Ki) values were calculated using the Cheng-Prussoff equation (Cheng et al, Biochem. Pharmacol. 1973, 22, 3099-3108). 
9633	1	Enzymatic Assay	Recombinant human IDO1 (rhIDO1) was expressed and purified from cultures of EC538 strain of E. coli transformed with pREP4 and pQE9-IDO plasmid. Reaction mixes were set up in 384-well microplates containing 50 mM phosphate buffer, 10 mM ascorbic, 10 &#956;M methylene blue, 100 &#956;g/mL catalase, 80 &#956;M TRP, 0.01% Tween 20 (v/v) mixed with rhIDO1 (15 &#956;L) at a final concentration of 9 nM in a total volume of 30 &#956;L assay medium. The plates were incubated at 37° C. for 30 min, and the enzymatic reaction was terminated by adding piperidine (200 mM) and heated at 65° C. for 20 min. Fluorescence intensity was read at &#955;ex 400 nm and &#955;em 500 nm. Test compounds were dissolved in 100% DMSO and pre-diluted in assay medium prior to adding rhIDO1. 
9634	1	EGLN-1 Activity Assay 	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption  ionization,  time-of-flight  MS, MALDI-TOF MS  for assay details, see reference (Greis et al., 2006). Recombinant  human  EGLN-1-179/426  is  prepared  as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it  is  necessary to  use the  His-MBP-TVMV EGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1C. peptide corresponding to residues 556-574 (DLDLEALAPYIPAD DDFQL) is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 uM), 2-oxoglutarate (3.2 uM), HIF-1C. (8.6 uM), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl Sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 LIL of reaction mixture to 50 LL of a mass spectrometry matrix Solution (C-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NHPO). Two micro liters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 HZ repetition rate). Hydroxylated peptide product is identified from substrate by the gain of 16 Da. Data defined as percent conversion of Substrate to product is analyzed in GraphPad Prism 4 to calculate ICso values.
9635	1	Endonuclease Activity Assay	Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 &#956;L comprised of: buffer (20 mM Tris, 150 mM NaCl, 2 mM MnCl2, 10 mM &#946;-mercaptoethanol, 0.2% Triton-X100, pH=8.0), influenza PA endonuclease (25 nM) prepared from Example 1, inhibitor (various concentrations) in buffer, and fluorescent ssDNA-oligo substrate (200 nM). A single-stranded, 17-mer DNA substrate labeled with a 5&#8242;-FAM fluorophore and a 3&#8242;-TAMRA quencher ([6-FAM]AATCGCAGGCAGCACTC[TAM]) (SEQ ID NO:2) synthesized by Sigma-Aldrich was employed to measure endonucleic cleavage. Upon addition of the substrate, the change in fluorescence was measured over 45 minutes at 37° C. (excitation: 485 nm; emission 528 nm). The positive control wells contained no inhibitor for preliminary screens, and were set as an arbitrary 100% activity. Compounds that exhibited >80% inhibition at a concentration of 200 &#956;M were re-evaluated at a concentration of 50 &#956;M. Confirmation screens employed EGCG (Epigallocatechin 3-gallate), a previously validated inhibitor, as a positive control. The gain was set to 100 and the first 10 data points (the first 10 minutes) were excluded from the activity calculations. Dose-response curves were generated, fitted, and analyzed using Origin8 graphing software. Dose-response curves were compiled and IC50 values determined for compounds exhibiting >50% inhibition at 50 &#956;M.
9636	1	Inhibition Effect	First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived from 0.02% fetal bovine serum, a DMSO solution of the compound of the present invention or the control DMSO solution (final concentration of DMSO was 1%) was added, and the mixture was allowed to stand for 20 minutes. Thereafter, the reaction buffer [50 mM HEPES buffer (pH 7.2) at the final concentration, 4 mM magnesium acetate at the final concentration, 100 mM potassium chloride at the final concentration, 6 mM dithiothreitol at the final concentration, 2 mM adenosine triphosphate at the final concentration, 0.24 mM nicotinamide adenine dinucleotide phosphate at final concentration] and 10 &#956;M CDP at the final concentration were added and incubated at 37° C. for 30 minutes to perform RNR reaction. Immediately after the reaction, the reaction was stopped by heating at 100° C. for 15 minutes, followed by centrifugation at 10,000 rpm for 10 minutes. After the centrifugation, a portion (5 &#956;L) of the resulting supernatant was analyzed with a high performance liquid chromatography (Shimadzu Corporation, Prominence) using Shim-pack XR-ODS (manufactured by Shimadzu GLC Co., 3.0×100 mm). Elution was carried out at a measurement wavelength of 265 nm at a flow rate of 0.5 mL/min by a 9-minute concentration gradient from the 12:13 mixture of mobile phase A (10 mM potassium dihydrogen phosphate (pH 6.7), 10 mM tetrabutylammonium, 0.25% methanol) and mobile phase B (50 mM potassium dihydrogen phosphate (pH 6.7), 5.6 mM tetrabutylammonium, 30% methanol) to the same 2:3 mixture to measure the substrate CDP (RT 5.9 min) and the reaction product dCDP (RT 6.2 min).
9637	2	Inhibition Assay	Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, 8929-8936 (2008)). The reaction mixture consisted of 1 mM DL-dihydroorotic acid (#D7003, Sigma-Aldrich), 100 &#956;M 3,4-dimethoxy-5-methyl-p-benzoquinone (#D9150, Sigma-Aldrich), and 100 &#956;M 2,6-dichlorophenolindophenol sodium salt (DCIP) (#D1878, Sigma-Aldrich) in enzyme buffer (50 mM Tris-HCl pH 8.0, 0.1% Triton X-100, 150 mM KCl). A stock solution of 20 mM DCIP was prepared in enzyme buffer and filtered through Whatman paper just before use. Loss in absorbance by chromogen DCIP was measured at 595 nm at RT every 3 min for an hour.
9637	1	Inhibition Assay	Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per well in a 384 well plate. DHODH enzyme assays were performed with 4 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, 8929-8936 (2008)). The reaction mixture consisted of 2 mM DL-dihydroorotic acid (#D7003, Sigma-Aldrich), 100 &#956;M 3,4-dimethoxy-5-methyl-p-benzoquinone (#D9150, Sigma-Aldrich), and 200 &#956;M 2,6-dichlorophenolindophenol sodium salt (DCIP) (#D1878, Sigma-Aldrich) in enzyme buffer (50 mM Tris-HCl pH 8.0, 0.1% Triton X-100, 150 mM KCl) in a final volume of 50 &#956;l per well. A stock solution of 80 mM DCIP was prepared in DMSO just before use. Loss in absorbance by chromogen DCIP was measured at 595 nm at RT every 2 min for an hour with a plate reader (Envision, Perkin Elmer).
9638	1	High Throughput Screening Assay	The commercially available HEK293/TREx line (Invitrogen) was stably transfected with a TRPC6 construct and screened by conventional calcium imaging to find clones with TRPC6 expression following stimulation with 1 &#956;g/ml tetracycline. These cells were maintained in the growth medium recommended by the manufacturer supplemented with 100 &#956;g/ml hygromycin to promote retention of the TRPC6 construct. After growing to near confluency, cells were plated at a density of 35,000 cells/well in 384 well CellBind plates (Corning) in the presence of 1 &#956;g/ml tetracycline, and allowed to grow for 20-30 hrs. A nearly confluent monolayer resulted. Growth media was removed from the wells and cells were then loaded with 25 mL Fluo4/AM diluted in Ringer&#39;s Solution (6.5 g NaCl, 0.42 g KCl, 0.25 g CaCl2 and 0.2 g of sodium bicarbonate; pH 7.4) supplemented with 1% Pluronic F-127 to a final concentration of 0.5 &#956;M and incubated for 60 min, at room temperature. Dye solution was then removed from the cells by inverting plates with a sharp flick, and replaced with 25 &#956;l Ringer&#39;s. Following 0.5 hour for recovery from loading, cells were assayed using the Hamamatsu FDSS 6000 system, which permitted illumination at 485 nm. Frames were acquired at a rate of 0.2 Hz. During the assay, the plates were continuously vortexed, with pipette mixing of wells following addition of each reagent. For the screening assay, 26 &#956;l of a diluted compound stock (at 50 &#956;M) was added to each well for 2 minutes following the collection of a short (4 frame) baseline. 13 &#956;l of agonist solution consisting of 125 nM GSK1702934A diluted in high-Ca2+Ringer solution (containing 90 mm Ca2+) was then added to each well, achieving a final concentration of 20 mm Ca2+ and 10 &#956;M test compound. Data was collected for 3 minutes following addition of high Ca2+Ringer. The fluorescent ratio for each well was divided by the initial fluorescent intensity for that well and the overall response was determined by averaging the fluorescent ratio of the last 4 frames acquired during the experiment excepting the final frame. Negative and Positive controls were included on each plate. Negative controls wells consisted of HEK293/TREx TRPC6 cells exposed to assay buffer and agonist solution, but no test compound. Positive control consisted of wells consisted of HEK293/TREx TRPC6 cells exposed to 25 &#956;M 3-[(2-chlorophenoxy)methyl]phenyl piperidyl ketone (Chembridge) diluted in Ringer&#39;s solution and agonist solution. These controls defined zero percent and 100 percent block respectively, and intensity of each well was normalized to these values.
9639	1	Inhibition Activity Assay	V1aR: The inhibition effect of the compounds of the present invention on the activity of human V1 aR protein expressed in HEK293/human V1aR stably transfected cells was determined by the following experimental method:I. Experimental Materials and Instruments1. Fluo-4 NW calcium assay kit (F36206, invitrogen)2. MEM (Hyclone, SH30024.01B)3. G418 sulfate (Enzo, ALX-380-013-G005)4. Fetal bovine serum (GIBCO, 10099)5. Sodium pyruvate solution (sigma, 58636-100ML)6. MEM non-essential amino acid solution (100×) (sigma, M7145-100ML)7. Flexstation 3 multi-function microplate reader (Molecular Devices)8. Poly-D-lysine 96-well plate, black/clear (356692, BD)9. Vasopressin (Tocris, 2935)10. pcDNA3.1 (invitrogen, V79020)11. pcDNA3.1-V1aR (NM-000706) (synthesized and constructed into pcDNA3.1 plasmid by GENEWIZ Biological Technology Co., Ltd)12. HEK293 cells (Cat. No. GNHu18, Cell Bank of Chinese Academy of Sciences)
9639	2	Inhibition Activity Assay	V1bR: The inhibition effect of the compounds of the present invention on the activity of human V1bR protein expressed in HEK293/human V1bR cells was determined by the following experimental method:I. Experimental Materials and Instruments1. Fluo-4 NW calcium assay kit (F36206, invitrogen)2. MEM (Hyclone, SH30024.01B)3. G418 sulfate (Enzo, ALX-380-013-G005)4. Fetal bovine serum (GIBCO, 10099)5. Sodium pyruvate solution (sigma, 58636-100ML)6. MEM non-essential amino acid solution (100×) (sigma, M7145-100ML)7. Flexstation 3 multi-function microplate reader (Molecular Devices)8. Poly-D-lysine 96-well plate, black/clear (356692, BD)9. Vasopressin (Tocris, 2935)10. pcDNA3.1 (invitrogen, V79020)11. pcDNA3.1-V1bR (NM-000706) (synthesized and constructed into pcDNA3.1 plasmid by GENEWIZ Biological Technology Co., Ltd)12. HEK293 cells (Cat. No. GNHu18, Cell Bank of Chinese Academy of Sciences)
9639	3	Inhibition Activity Assay	V2R: The inhibition effect of the compounds of the present invention on the activity of human V2R protein expressed in HEK293/human V2R cells was determined by the following experimental method:I. Experimental Materials and Instruments1. cAMP dynamic 2 kit 1,000 tests (62AM4PEB, Cisbio)2. MEM (Hyclone, SH30024.01B)3. G418 sulfate (Enzo, ALX-380-013-G005)4. Fetal bovine serum (GIBCO, 10099)5. Sodium pyruvate solution (sigma, 58636-100ML)6. MEM non-essential amino acid solution (100×) (sigma, M7145-100ML)7. PheraStar multi-function microplate reader (BMG)8. Corning/Costar 384-well non-adsorbing microplate black NBS plate (4514, Corning)9. Cell dissociation solution, enzyme-free, PBS (13151014-100 ml, Thermo Fisher Scientific)10. HBSS, calcium, magnesium, phenol red free (14025-092, Invitrogen)11. HEPES, 1M buffer (15630-080, GIBCO)12. BSA (0219989725, MP Biomedicals)13. IBMX (I7018-250MG, sigma)14. Vasopressin (Tocris, 2935)15. pcDNA3.1 (invitrogen, V79020)16. pcDNA3.1-V2R (NM-000054) (synthesized and constructed into pcDNA3.1 plasmid by GENEWIZ Biological Technology Co., Ltd)17. HEK293 cells (Cat. No. GNHu18, Cell Bank of Chinese Academy of Sciences)
9640	1	Biochemical Kinase Assay	ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by centrifugation and resuspended in 50 mM Tris, 500 mM NaCl, 5 mM &beta;-ME, pH 8.2. Cells were lysed by sonication and clarified by centrifugation. ABL1 was purified by affinity chromatography using a HisTrap column with a wash step in 4% wash buffer (50 mM Tris, 500 mM NaCl, 500 mM imidazole, 5 mM &beta;-ME, pH 8.2) and eluted in a linear gradient of the same buffer. Fractions containing ABL1 were pooled, concentrated and further purified using an ion exchange column washed with 50 mM Tris, pH 8.3 and eluted with a linear gradient of elution buffer (50 mM Tris, 1M NaCl, pH 8.3). Purified protein was stored at -80&deg; C. in 50 mM Tris (pH 8.2), 300 mM NaCl, 1 mM DTT and 20% glycerol.
9641	1	In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05 M acetate, pH 4.5, 8% DMSO final, 100 &#956;M genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The &#946;-secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2), which was pre-incubated for one hour with the test compound, typically in about luL of DMSO according to a serial dilution, was added thereto. The assay was effectively started by the addition of FRET substrate (50 nM) and the combination was incubated for one hour. The FRET assay was terminated by the addition of tris buffer, which raised the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The specific FRET substrate used in this assay was made by Amgen in-house. Commercially available FRET substrates, for example, the FRET substrate offered with the BACE1 FRET Assay Kit sold by ThermoFisher Scientific (Catalog Number P2985), may be used in this assay with the appropriate modifications, which are within the purview of the ability of a person with ordinary skill in the art. Proteolytic cleavage of the FRET substrate released quenching of fluorescence (excitation 488 nm and emission 590 nm).
9641	2	In Vitro Enzymatic FRET Assay	Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) was pre-incubated for one hour with inhibitors, typically in about luL of DMSO according to a serial dilution, is added thereto. The assays was effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination was incubated for one hour. The FRET assay was terminated with by addition of tris buffer, which raises the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the CatD cleavage site. The CatD substrate peptide sequence was based on sequence #1 of Table 1 from Gulnik et al., FEBS Lett. 413(2):379-384 (1997). Proteolytic cleavage of the FRET substrate released quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).
9642	1	In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05 M acetate, pH 4.5, 8% DMSO final, 100 &#956;M genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The &#946;-secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2), which was pre-incubated for one hour with the test compound, typically in about 1 uL of DMSO according to a serial dilution, was added thereto. The assay was effectively started by the addition of FRET substrate (50 nM) and the combination was incubated for one hour. The FRET assay was terminated by the addition of tris buffer, which raised the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The specific FRET substrate used in this assay was made by Amgen in-house. Commercially available FRET substrates, for example, the FRET substrate offered with the BACE1 FRET Assay Kit sold by ThermoFisher Scientific (Catalog Number P2985), may be used in this assay with the appropriate modifications, which are within the purview of the ability of a person with ordinary skill in the art. Proteolytic cleavage of the FRET substrate released quenching of fluorescence (excitation 488 nm and emission 590 nm).
9642	2	In Vitro Enzymatic FRET Assay	Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) was pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays was effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination was incubated for one hour. The FRET assay was terminated with by addition of tris buffer, which raises the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the CatD cleavage site. The CatD substrate peptide sequence was based on sequence #1 of Table 1 from Gulnik et al., FEBS Lett. 413(2):379-384 (1997). Proteolytic cleavage of the FRET substrate released quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).
9643	1	Kinase Binding Assay	TrkA binding activity was determined in a TrkA LanthaScreen Eu Kinase Binding Assay. 5 nM His-tagged recombinant human TrkA (6HIS tagged cytoplasmic domain from Invitrogen, Catalog No. PV3144) was incubated with 4 nM Alexa-Fluor Tracer 236 (Invitrogen Cat. No. PV5592), 2 nM biotinylated anti-His (Invitrogen Cat. No. PV6090), and 2 nM europium-labeled Streptavidin (Invitrogen Cat. No. PV5899), in buffer (25 mM MOPS, pH 7.5, 5 mM MgCl2, 0.005% Triton X-100). Three fold serial dilutions of compounds of the invention in DMSO were added to a final percentage of 2% DMSO. After 60-minute incubation at 22° C., the reaction was measured using the EnVision mutlimode plate reader (PerkinElmer) via TR-FRET dual wavelength detection at 615 nM and 665 nM. The percent of control was calculated using a ratiometric emission factor. 
9644	1	Enzymology Assay	1. Experimental materials and instrumentsPDE9A2 Enzyme (BPS, Cat. No. 60090)384-well plate (Perkin Elmer, Cat. No. 6007279)2. Experimental procedurePreparation of the compounds: the compounds were prepared into 10 mM compound stock solution in DMSO for long-term storage. The obtained compound stock solution was diluted in 100 times with DMSO to obtain 100 &#956;M compound working mother solution, and then the compound working mother solution was diluted in 3 times with DMSO to obtain 8-10 concentration gradients of diluted compound mother liquor (100×).Incubation with the compounds: A very small amount of liquid pipetting system Echo was used to pipette the diluted compound mother liquor into a 384-well plate. 200 nL diluted compound mother liquor and 10 &#956;L PDE9A2 enzyme solution were added to each compound well. After centrifugation at 1000 rpm for 1 min, the mixture was incubated for 15 min at the room temperature. Then the 10 &#956;L substrate mixture was added. After centrifugation at 1000 rpm for 1 min, the mixture was incubated with shocking for 30 min at the room temperature. Finally, a stop solution was added to end the reaction system. The mixture was incubated with shocking for 60 min at the room temperature. In the maximum reading hole (Max), the compound was replaced by solvent. In the minimum reading hole (Min), the compound and enzyme solution were replaced by solvent.
9645	1	Biochemical Assay	USP28: Each assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2) (1M Calcium Chloride solution; Sigma #21114) 2 mM BME (2-Mercaptoethanol; Sigma 63689-25ML-F), 0.01% Prionex (0.22 &#956;M filtered, Sigma # G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). Enzyme (USP28, construct USP28 (USP28-5(1-1077)-TEV-6*His; LifeSensors) concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 400 pM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems # U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 10 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2×Ub-Rh110 or preincubated with USP28 40 minutes prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for 90 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
9645	2	Biochemical Assay	USP25: The assay was performed in a final volume of 9 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 3 mM BME (2-Mercaptoethanol; Sigma 63689-25ML-F), 0.03% BGG (0.22 &#956;M filtered. Sigma, G7516-25G), and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO was pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 25 &#956;M to 1.3 nM, top to lowest dose, respectively. Enzyme USP25, construct USP25-His6, (Boston Biochem E-546). Concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 75 pM. Final substrate (Ub-Rh110 Ubiquitin-Rhodamine 110, R&D Systems # U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 3 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP25 for 30 minutes and then 3 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated for 45 minutes at room temperature before addition of 3 &#956;L of stop solution (final concentration of 10 mM citric acid (Sigma, 251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
9646	1	Activity Assay	The activity assay for the compound of each example was carried out in this experimental example, and the detailed test method was as follows:1. The test compound was formulated as 10 &#956;mol/L solution in dimethylsulfoxide;2. Starting from 10 &#956;mol/L, by 3-fold serial dilution, the inhibitory activity of each compound against the enzyme was tested in singlet state at 10 doses;3. IC50 values of test compounds were finally obtained.
9647	1	Fluorescence Anisotropy Assay	The affinity of Example 1-22 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe.  The assay was also adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity for galectin-3 which made it possible to use a low concentration of galectin-3 (50 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
9648	1	URAT1 In Vitro Inhibition Activity-Method A	Cells were seeded onto 24-well plates at the density of 2.0×105 cells per well. The cells were incubated at 37° C., 5% CO2 overnight. After approximately 24 hours culture, cells were used for uptake experiments. The culture medium were removed from the wells and the cells were incubated in 0.4 ml/well of Hank&#39;s balanced salt solution (HBSS) for 10 min. HBSS was replaced with 0.18 ml/well fresh HBSS. Compounds were 5 folds serial diluted in DMSO, and then 25 folds diluted in HBSS. Compounds diluted with HBSS (10 &#956;l) were added to relevant well of cell plates, and plates were incubated at 37° C., 5% CO2 for 15 min. The final concentration of DMSO in the assay was 0.2%. 10 &#956;l HBSS containing radioactively labeled Urate (14C-uric acid) was added to each well. The final concentration of 14C-uric acid in the assay medium was 50 &#956;M. After 10 min, the assay medium was immediately removed. The cells were washed quickly with 0.5 ml pre-chilled HBSS twice. 0.1 M NaOH (0.4 ml) was added to lyse the cells for at least 20 min. The cell lysate was collected to a scintillation vial, and scintillant (4 ml) was added and the radioactivity was counted by a liquid scintillation counter. Inhibiton % data were calculated using the formulainhibition &#8290; &#8290; % = HC - CPD HC - LC × 100 , &#8290; and &#8290; &#8290; analyzed &#8290; &#8290; using &#8290; &#8290; Prism &#8290; &#8290; 5 &#8290; &#8290; software . &#8290; ( CN &#8290; &#8290; 101679251 &#8290; )CPD: Signal from a well containing a test compoundHC (high control): Average of signals from HEK293-URAT-4 cellsLC (low control): Average of signals from HEK293-PCDNA-5.
9648	2	URAT1 In Vitro Inhibition Activity-Method B	HEK293-URAT1 cell Lines were donated by Japan Fuji Biomedical Research Institute. Negative control cell of HEK293 (MOCK cells) which was transfected with pcDNA3.1 empty vector. HEK293-URAT1 cell lines and MOCK cell lines were cultured in complete growth medium consisting of DMEM supplemented with 10% FBS, penicillin and streptomycin.Preparation of working solution: Each stock solutions was diluted to different concentrations (6, 20, 60, 200 and 600 &#956;mol/L) with DMSO as 200× working solution, which was then diluted to 2×compound working solution with HBSS (Cl&#8722; free) buffer. Radiolabeled substrate 14C-Uric acid solution was diluted with HBSS (Cl&#8722; free) buffer to obtain 2× working solution which was mixed with an equal volume of 2× compound working solution to obtain the mixture of radiolabeled substrate and compound working solution.HER293-URAT1 and MOCK cells were seeded onto 24-well plates at the density of 1.5×106 cells per well. The cells were incubated at 37° C., 5% CO2 overnight. After cultured for approximately 2 to 3 days, cells were used for the experiments. The culture medium were removed from the wells, and cells were washed with HBSS (Cl&#8722; free) and incubated in 37° C. HBSS (Cl&#8722; free) for 10 min. HBSS was replaced with 500 &#956;L of the mixture of radiolabeled substrate and compound working solution. The final concentration of 14C-Uric acid in the assay was 5.0 &#956;mol/L. Plates were incubated at 37° C., 5% CO2 for 2 min, and the reaction was stopped by the addition of pre-chilled HBSS (Cl&#8722; free) by washing three times. 400 &#956;L NaOH (0.1 mmol/L) was added to lyse the cells and the cell lysate was collected to scintillation vials, and 3 ml scintillant (Aquasol-2, PerkinElmer) was added and after mixing completely, the radioactivity was counted by Tri-Carb 2910TR liquid scintillation counter. Each concentration of compounds, positive control and negative control were repeated in two wells (n=2). Inhibition % data were calculated using the formula:Inhibition=[100×(U&#8722;U 0)/(U c &#8722;U 0)]%, and analyzed using Prism5 software.U0: Average of signals of MOCK cells;Uc: Average of signals of radiolabeled substrate. The half inhibition concentration of the tested compounds to URAT1 were analyzed using Prism 5 software.
9649	1	Measurement of Inhibitory Effect on FGFR2 Kinase Activity	When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences, Inc.) was used as a substrate. The purified recombinant human FGFR2 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration that was 20 times higher than the final concentration. Next, the purified human FGFR2 protein, FL-Peptide 22 (final concentration: 1.5 &#956;M), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 75 &#956;M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA (final concentration: 30 mM) diluted with a separation buffer (Caliper Life Sciences, Inc.) was added thereto to terminate the kinase reaction. Finally, using a LabChip (registered trademark) 3000 system (Caliper Life Sciences, Inc.; excitation wavelength: 488 nm, detection wavelength: 530 nm), phosphorylated peptides and non-phosphorylated peptides were separated, and the amount of each peptide was measured. The level of phosphorylation was determined from the quantitative ratio. The compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9649	2	Measurement of Inhibitory Effect on FGFR1 Kinase Activity	When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR1 kinase activity, a biotinylated peptide (biotin-EEPLYWSFPAKKK) was synthesized for use as a substrate by utilizing the amino acid sequence of FL-Peptide 22 (Caliper Life Sciences, Inc.) with biotin. The purified recombinant human FGFR1 protein used in the test was purchased from Carna Biosciences, Inc. In the measurement of the inhibitory effect of the compounds, first, a test compound was gradually diluted with dimethylsulfoxide (DMSO) to a concentration 20 times higher than the final concentration. Next, the purified human FGFR1 protein, substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 5 mM), ATP (final concentration: 190 &#956;M), and the test compound DMSO solution (final concentration of DMSO: 5%) were added to a reaction buffer (15 mM Tris-HCl pH 7.5, 0.01% Tween-20, 2 mM DTT), and the mixture was incubated at 25° C. for 120 minutes to perform a kinase reaction. EDTA was added thereto to a final concentration of 40 mM to thereby terminate the reaction. Then, a detection solution containing Eu-labeled anti-phosphorylated tyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added, and the resulting mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence when excitation light with a wavelength of 337 nm was irradiated was measured by a PHERAstar FS (BMG LABTECH) at two wavelengths of 620 nm and 665 nm. The amount of phosphorylation was determined from the fluorescence intensity ratio of the two wavelengths. The compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9649	3	Measurement of Inhibitory Effect on FGFR3 Kinase Activity	The inhibitory effect of the compounds on FGFR3 kinase activity was measured according to the method of Test Example 3. Purified recombinant human FGFR3 protein was purchased from Carna Biosciences, Inc. The final concentration of ATP was 50 &#956;M.
9649	4	Measurement of Inhibitory Effect on FGFR4 Kinase Activity	The inhibitory effect of the compounds on FGFR4 kinase activity was measured according to the method of Test Example 3. Purified recombinant human FGFR4 protein was purchased from Carna Biosciences, Inc. The final concentration of ATP was 200 &#956;M.
9650	1	ATR/ATRIP Enzymatic Assay	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 h with 1 mL anti-FLAG resin (Sigma catalog #A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 &#956;g/ml 3×FLAG peptide).The ability of new chemical matter to inhibit the ATR catalytic activity in this ATR/ATRIP complex was assessed using a Caliper-based assay. A 2× enzyme solution (i.e., 4 nM enzyme) was prepared using 1× Kinase Reaction Buffer (25 mM HEPES pH 8, 0.0055% Brij-35, 10 mM MnCl2, and 1 mM DTT). A 2× peptide solution was then prepared consisting of 10 uM FAM-labeled RAD17 peptide (GL Biochem, catalog #524315) in 1× Kinase Reaction Buffer supplemented with 2 &#956;M ATP. 10 &#956;L of the 2× enzyme solution was transferred to an assay plate containing 60 nL of test compound (from a 3× serial dilution) in 100% DMSO. Following a 30-min incubation at 28° C., 10 &#956;L of the 2× peptide solution was then transferred to the same assay plate. The reaction incubated at 28° C. for 6 h. After adding 30 &#956;L stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating-3 Reagent (PerkinElmer, catalog #PN760050), and 50 mM EDTA), data were collected on a Caliper instrument. Conversion values were converted to inhibition values via the following equation: % inhibition=(max&#8722;conversion)/(max&#8722;min)*100, wherein max corresponds to the DMSO control, and min corresponds to the low control. IC50 values were calculated using the following equation in XLFit: Y=Bottom+(Top&#8722;Bottom)/1+(IC50/X){circumflex over (&#8195;)}HillSlope).
9651	1	Biomol Green Assay	Biomol Green (Enzo) is a bioluminescent, homogeneous assay that measures ADP formed from a biochemical reaction. Because of its high sensitivity, the assay is suitable for monitoring enzyme activities at very early substrate conversions requiring very low amount of enzymes. This is critical since inhibitor potency has to be demonstrated at the cellular level where ATP is present at millimolar concentrations. The assay procedure used may be the same as in Zhang et al., Altered cofactor regulation with disease-associated p97/VCP mutations, Proc. Natl. Acad. Sci. USA, 112(14), E1705-E1714 (2015).
9652	1	TBK1 Low ATP Kinase Assay	Recombinant full-length N-terminally His-tagged human TBK1, expressed in insect cells and purified by Ni-NTA affinity chromatography, was purchased from Life Technologies (Cat. No PR5618B) and used as enzyme. As substrate for the kinase reaction biotinylated peptide biotin-Ahx-GDEDFSSFAEPG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384well microtiter plate or a black 1536well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of TBK1 in aqueous assay buffer [50 mM HEPES pH 7.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumine, 0.01% (v/v) Nonidet-P40 (Sigma), protease inhibitor mixture ( Complete w/o EDTA from Roche, 1 tablet per 5 ml)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;l assay volume is 10 &#956;M) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of TBK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is 0.03 &#956;g/ml. The reaction was stopped by the addition of 3 &#956;l of a solution of TR-FRET detection reagents (0.33 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France], 2.5 nM anti-phosho-Serine anti-body [Merck Millipore, STK antibody , cat. #35-C2] and 1.25 nM LANCE EU-W1024 labeled anti-mouse IgG anti-body [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (167 mM EDTA, 0.13% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 &#956;M to 0.07 nM (20 &#956;M, 5.7 &#956;M, 1.6 &#956;M, 0.47 &#956;M, 0.13 &#956;M, 38 nM, 11 nM, 3.1 nM, 0.9 nM, 0.25 nM and 0.07 nM, the dilution series prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial dilutions, exact concentrations may vary depending pipettors used)) in duplicate values for each concentration and IC50 values were calculated using Genedata Screener software.
9653	4	Biochemical Assay for CDK12 (Kd Determination)	Kinase-tagged T7 phage strains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (6,000×g) and filtered (0.2 &#956;m) to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 40× stocks in 100% DMSO and directly diluted into the assay. All reactions were performed in polypropylene 384-well plates in a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
9653	1	Biochemical Assay for CDK12 (IC50 Determination)	The inhibitory activity of the test compounds was assessed by the LANCE TR-FRET assay, which detects the ATP-dependent phosphorylation of an ULight-4E-BP1 (Thr37/Thr46) substrate peptide (100 nM) by CDK12 (30 nM). Briefly, the enzyme reaction was run in reaction buffer (25 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% BSA, 0.01% Triton x, 1 mM DTT). The assay was performed in 384-well plate format. The end concentration of the ATP substrate was 100 &#956;M, and that of the ULight-4E-BP1 (Thr37/Thr46) substrate peptide was 100 nM, and of CDK12 was 30 nM. Pre-incubation of the compound and enzyme was performed for 60 min at room temperature. After 60 min incubation at room temperature, the reaction was terminated by the addition of 40 mM EDTA and 0.5 nM Eu-labeled anti-phospho-eIF4E-binding protein (Thr37/46) antibody in LANCE detection buffer. Time-resolved fluorescence (excitation, 320 nm; emission donor, 615 nm; emission acceptor, 665 nm) was monitored by using 2030 multilabel reader Victor5 (PerkinElmer). The readout was calculated as (acceptor counts/donor counts)×1000. The IC50 values were derived by fitting a sigmoidal dose-response curve to a plot of assay readout over inhibitor concentration. All fits were computed with the program Prism 5.03 (Graph Pad Software, San Diego, Calif.).
9653	2	Biochemical Assay for CDK13	LanthaScreen Eu Kinase Binding Assays are based on the binding and displacement of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor scaffold (kinase tracer) to the kinase of interest. Binding of the kinase tracer 236 (100 nM) to the CDK13 (5 nM) kinase is detected using a europium-labelled anti-GST tag antibody (2 nM), which binds to the kinase. Simultaneous binding of the tracer and antibody to the kinase results in a high degree of FRET (fluorescence resonance energy transfer) from the europium (Eu) donor fluorophore to the Alexa Fluor 647 acceptor fluorophore on the kinase tracer. Binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET signal.
9653	3	Biochemical Assay for CDK7	The inhibitory activity of the test compounds was assessed by the LANCE TR-FRET assay, which detects the ATP-dependent phosphorylation of an ULight-myelin basic protein (MBP) substrate peptide (100 nM) by CDK7 (10 nM). Briefly, the enzyme reaction was run in reaction buffer (20 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% Triton x, 100 &#956;M Sodium Orthovanadate, 1 mM DTT). The assay was performed in 384-well plate. The end concentration of the ATP substrate was 1 mM/100 &#956;M, and that of the ULight-MBP substrate peptide was 100 nM, and of CDK7 was 10 nM. Pre-incubation of the compound and enzyme was performed for 60 min at room temperature. After 60 min incubation at room temperature, the reaction was terminated by the addition of 40 mM EDTA and 1 nM Eu-labeled anti-phospho-MBP-binding protein antibody in the buffer. Time-resolved fluorescence (excitation, 320 nm; emission donor, 615 nm; emission acceptor, 665 nm) was monitored by using 2030 multilabel reader Victor5 (PerkinElmer). The readout was calculated as (acceptor counts/donor counts)×1000. The IC50 values were derived by fitting a sigmoidal dose-response curve to a plot of assay readout over inhibitor concentration. All fits were computed with the program Prism 5.03 (Graph Pad Software, San Diego, Calif.).
9654	1	Protein kinase assay (Condition A: Thiol Containing Conditions)	For the assays, 5 &#956;l solution from each well of the compound dilution plates/10% DMSO were transferred into the assay plates. The final volume of the assay was 50 &#956;l. All compounds were tested at 10 final assay concentrations in the range from 1×10&#8722;04M to 3×10&#8722;09M, in singlicate. The final DMSO concentration in the reaction cocktails was 1% in all cases.Recombinant protein kinases: All protein kinases were expressed in Sf9 insect cells or in E. coli as recombinant GST-fusion proteins or His-tagged proteins, either as full-length or enzymatically active fragments. All kinases were produced from human cDNAs and purified by either GSH-affinity chromatography or immobilized metal. Affinity tags were removed from a number of kinases during purification. The purity of the protein kinases was examined by SDS-PAGE/Coomassie staining, the identity was checked by mass spectroscopy.Protein kinase assay: A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the three protein kinases. All kinase assays were performed in 96-well FlashPlates from PerkinElmer (Boston, Mass., USA) in a 50 &#956;l reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 &#956;l of assay buffer (standard buffer) 5 &#956;l of ATP solution (in H2O) 5 &#956;l of test compound (in 10% DMSO) 20 &#956;l enzyme/substrate mixThe assay for all protein kinases contained 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &#956;M Na-orthovanadate, 1.2 mM DTT, 50 &#956;g/ml PEG20000, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase), [&#947;-33P]-ATP (approx. 9×1005 cpm per well), protein kinase (variable amounts), and substrate (variable amounts).
9654	2	Protein kinase assay (Condition B: Thiol-free Conditions)	The IC50 profile of compounds was determined using one protein kinase in a customized, thiol free assay. IC50 values were measured by testing 10 concentrations (1×10&#8722;05 M to 3×10&#8722;10 M) of each test compound in singlicate against each kinase of interest. Prior to testing, the 1×10&#8722;03 M stock solutions in column 2 of the master plates were subjected to a serial, semi-logarithmic dilution using 100% DMSO as a solvent. This resulted in 10 distinct concentrations, with a dilution endpoint of 3×10&#8722;08 M/100% DMSO in column 12. Column 1 and 7 were filled with 100% DMSO as controls. Subsequently, 2×10 microliter from each well of the serial diluted copy plates were aliquoted with a 96 channel pipettor into two identical sets of compound dilution plates . All plates were barcoded for automated identification and tracking purposes. IC50 values were measured by testing 10 concentrations (1×10&#8722;05 M to 3×10&#8722;10 M) of each compound in singlicate. All compounds were stored as powder until being solubilized in DMSO. Solubilized compounds were stored as 1×10&#8722;02 M/100% DMSO stock solutions. Prior to the assay process, 90 microliters of H2O were added to each well of a set of compound dilution plates. To minimize potential precipitation, the H2O was added to each plate only a few minutes before the transfer of the compound solutions into the assay plates. Each plate was shaken thoroughly, resulting in compound dilution plates with a final of 10% DMSO. For each assay, 5 microliters of solution from each well of the compound dilution plates/10% DMSO were transferred into the assay plate. The final volume of the assay was 50 &#956;l. All compounds were tested at 10 final assay concentrations in the range from 1×10&#8722;05 M to 3×10&#8722;10 M, in singlicate. The final DMSO concentration in the reaction cocktails was 1% in all cases. A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the protein kinase. All kinase assays were performed in 96-well FlashPlates from PerkinElmer (Boston, Mass., USA) in a 50 microliter reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 microliter of assay buffer (standard buffer) 5 microliter of ATP solution (in H2O) 5 microliter of test compound (in 10% DMSO) 20 microliter enzyme/substrate mix. Each assay for the protein kinase contained 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 microM Na-orthovanadate, 1 mM TCEP, 50 &#956;g/ml PEG20000, ATP (corresponding to the apparent ATP-Km of the kinase, see Table A), [gamma-33P]-ATP (approx. 6×10×E5 cpm per well), with the protein kinase and relevant substrate being used in pre-determined amounts, depending on the kinase in question. For all experiments labeled as Thiol-free , all glutathione was exchanged from protein preparations so as to be removed from the assay and final buffer conditions contained no thiol-containing reagents. This was done so there would be no interference with the key cysteines in the proteins of interest.
9656	1	n Vitro Testing of DPP IV Inhibitory Activity	itagliptin phosphate monohydrate and the different tested compounds were dissolved in dimethyl sulphoxide (DMSO) and diluted with tris buffer (pH 8.0, 50 mM) to achieve the required concentrations. DPP-IV inhibition assay was conducted using a kit purchased from Biovision (Milpitas, Calif., USA). Briefly, DPP-IV enzyme was diluted with tris buffer and pipetted 50 &#956;l into glass mini-cells. Subsequently the 25 &#956;l of tris buffer, sitagliptin phosphate monohydrate or the tested compounds was added and incubated at 37° C. for 20 min protected from light. Finally, a volume of 25 &#956;l of DPP-IV substrate was added into each tube. The fluorescence generated from hydrolysis of the substrate was read at Ex/Em=360/460 nm using Modulus single tube multimode reader (Promega, USA). Baseline fluorescence was recorded before incubation (R1) and 20 min after incubation (R2). Percentage inhibition was calculated according to the following equation:% inhibition=(&#916;RFU test/&#916;RFU E C)*100where, &#916;RFU=R2&#8722;R1 and EC is the enzyme control (enzyme solution without inhibitor) which is considered 100% activity.The standard DPP-IV inhibitor drug sitagliptin was employed as positive control. Screening was done of all the synthesized compounds at 100 nM then a dose-response study was conducted of the compounds that showed a promising inhibitory effect on DPP-IV activity (>80% inhibition which was comparable to that of sitalgliptin). Sigmoidal dose-response curves for DPP-IV % inhibition versus log concentrations were plotted using Graphpad prism software, version 5.00 (GraphPad Software, Inc. La Jolla, Calif., USA).
9657	1	SHP2 Allosteric Inhibition Assay	SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal state, SHP2 is auto-inhibited and access of substrates to the catalytic site is blocked by the intermolecular interactions between the SH2 domains and the PTP domain. When bis-tyrosyl-phosphorylated peptides bind to SH2 domain of SHP2, the PTP domain becomes available for substrate recognition and reaction catalysis and SHP2 is allosterically activated. SHP2 catalytic activity can be measured using a fluorogenic artificial substrate DiFMUP.The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffers containing 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, and 5 mM DTT.0.33 nM of SHP2 was co-incubated with of 0.5 &#956;M of bisphos-IRS 1 peptide (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) and various concentrations of compounds for 30-60 min at room temperature. Then the reaction was initiated by addition of the surrogate substrate DiFMUP (Invitrogen, Cat #D6567, 100 uM final).The real-time conversion of DiFMUP to DiFMU (6,8-difluoro-7-hydroxyl-4-methyl-coumarin) was measured every 5 min for 30 min using a microplate reader (CLARIOstar, BMG Labtech) with excitation and emission wavelengths of 340 nm and 450 nm, respectively. Initial reaction rates were determined by linear fitting of the data and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control-based normalization.
9658	1	Binding of the M6P Analogs of the Invention with CI-M6PR	96-Well plates (Maxisorp Nunc) are incubated overnight at 4° C. with 200 &#956;l of PMP (pentamannose 6-phosphate) at the concentration of 200 &#956;g ml&#8722;1, in carbonate buffer (NaHCO3/Na2CO3 at 0.1M, pH 9.6). The following day, the solution containing the residual PMP is discarded and the wells are saturated, for 1 h at ambient temperature, with 360 &#956;l of 1% gelatin (Type A from Porcine Skin) diluted in PBS (1.9 mM NaH2PO4, 8.1 mM Na2PO4 and 154 mM NaCl, pH 7.4). The wells are then rinsed five times with PBS to which 0.2% gelatin has been added. All the washes and also the dilutions are carried out in the solution of PBS to which 0.2% gelatin has been added. The M6P analogs to be tested at the various concentrations (from 10&#8722;2 to 10&#8722;7 M) are pre-incubated in the presence of pre-biotinylated CI-M6PR (M6PRb) (2.5 &#956;g mol&#8722;1) for 20 min, then 200 &#956;l of the mixture are incubated in the wells for 2 h, at ambient temperature. After three washes, the wells are incubated for 1 h with a streptavidin-peroxidase solution (250 &#956;l per well; 3.10&#8722;8 M). After three more washes, 200 &#956;l of a solution of OPD (o-phenylenediamine, 1 mg ml&#8722;1 in citrate buffer, pH 5.0, and 1 &#956;l 30% H2O2.ml&#8722;1; Sigma Aldrich) are added. After incubation for 20 min in the dark at ambient temperature, the optical densities are measured at the wavelength of 450 nm.The affinities of the phosphonate disaccharide 18 and carboxylate disaccharide 24 of formula (I) of the invention were measured and compared with those of their respective monosaccharide homologs.The affinity denotes the binding capacity (in the case in point by means of a covalent bond) of the M6P analogs for CI-M6PR.
9659	1	Enzymatic Assay for In Vitro Evaluation of PSMA Inhibitors	The inhibitory activity of all compounds was determined using a fluorescent assay of human PSMA activity. The enzyme used in the assay was purchased from R&D Systems and stored at &#8722;80° C. The PSMA activity was assayed in a two-step process. In the first step, aliquots of enzyme (0.2 &#956;g/mL) were incubated for 1 h at 37° C. in 50 mM HEPES, 0.1 M NaCl, pH 7.5, in the presence of 20 &#956;M NAAG and the given inhibitor, in a volume of 250 &#956;L, to allow for the accumulation of glutamate produced in the PSMA reaction. In the second step, the amount of accumulated glutamate was measured using the OPA reaction, and the fluorescence was read with a SpectraMax fluorescent plate reader using excitation at 330 nm and emission at 450 nm. The final Ki values for each inhibitor were calculated from the respective IC50 values using the Cheng and Prusoff equation.
9660	1	SARS-CoV-1 and -2 3CLpro Biochemical Assay	The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previously described peptide-based Forster resonance energy transfer (FRET) assay. Compounds (as 10 mM DMSO stocks) were serially diluted 4-fold using 100% DMSO in a LabCyte 384-well LDV plate and acoustically transferred using a LabCyte ECHO 550 instrument into Corning 384-well black NBS plates. The standard 10-point IC50 384-well plate layout is as follows. First, 100 &#956;M 8 was stamped into columns 1 and 24 (low control), DMSO was stamped into columns 2 and 23 (high control), and serially diluted compounds were stamped from high (100 &#956;M) to low (0.38 nM) concentrations in columns 3 12 (replicate 1) and 13 22 (replicate 2). To run the assay, assay wells stamped with 0.25 &#956;L of compound or DMSO were filled via a ThermoFisher Multidrop Combi liquid dispenser with 14.5 &#956;L of 150 or 200 nM (concentration for a 25 &#956;L final reaction volume) SARS-CoV-1 or SARS-CoV-2 3CLpro, respectively, in assay buffer [50 mM HEPES, 0.1 mg/mL BSA, 0.01% (v/v) TRITON X100, and 2 mM DTT (pH 7.5)]. Assay plates were then centrifuged at 1000 rpm (Eppendorf 5810R, S-4-104 rotor) for 1 min, covered, and incubated at room temperature for 15 min. Reactions were initiated using the Multidrop Combi liquid dispenser to titrate 10 &#956;L of 2 &#956;M (concentration for a 25 &#956;L final reaction volume) fluorophore-quencher peptide substrate [HiyteFluor-488ESATLQSGLRKAK-(QXL)-NH2 from AnaSpec, Inc. catalog no. AS-65599] solubilized in assay buffer into each well. Assay plates were again centrifuged at 1000 rpm for 1 min, covered, and incubated at room temperature for 30 min. Biochemical assays were quenched through the addition of 5 &#956;L of 500 mM acetic acid via a Multidrop Combi liquid dispenser. Assay plates were then centrifuged at 1000 rpm for 1 min, and the resulting fluorescence intensity was measured on a BioTek Cytation 5 multimode plate reader (&#955;ex = 485 nm; &#955;em = 528 nm).
9660	2	CPE inhibition assay	Briefly, Vero E6 ACE2 cells were cultured in 96-well flat-bottom plates at a density of 2 × 104 cells per well. Following infection of the cells with a 100 TCID50 of SARS-CoV-2, the plates were incubated on a rocker in 37 °C for 45 min for virus adsorption. The cells were then washed with DMEM, and the medium containing the test compounds at the desired concentration was added. Both the uninfected cells and the infected cells treated with 10 &#956;M remdesivir were used as controls. The antiviral efficacy of test compounds was determined by the uptake and subsequent extraction of neutral red dye. After infection (68 h), cells were incubated with 0.034% neutral red dye for 3 h at 37 °C. Free dye was washed from the wells, and dye uptake was quantified using a microplate reader with absorbance at 540 nm. Absorbance values were expressed as percentages of uninfected control cells, and EC50 values of the test compounds were determined using Prism (GraphPad).
9660	3	plaque reduction assay	Confluent monolayers of Vero E6 ACE2 cells in 12-well plates were washed once with DMEM and infected with approximately 50 plaque forming units (PFUs) of SARS-CoV-2 in each well. The plates were incubated on a rocker at 37 °C for 45 min for virus adsorption. The virus inoculum was removed and replaced by overlay medium (DMEM containing 1% low-melting point agarose without serum) containing 3-fold serial dilutions of the test compounds and placed in a 37 °C CO2 incubator until plaques could be visualized under light. The cells were then fixed with a 4% formaldehyde solution for at least 30 min, and the overlaid agarose was removed and stained with a 0.2% (w/v) crystal violet solution. The plaques were counted by visual examination, and the required concentration to reduce the 50% plaque number (EC50) was calculated relative to the control without test compounds.
9661	1	Binding Affinity Assay	The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for 50 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 times before incubated at 55° C. for 10 min. At last, 40 &#956;L ULTIMA GOLD was added into each well, and CPM was read by TopCount. The compounds at different concentrations were incubate with hA2a membrane (from PerkinElmer) and [3H]-CGS21680 for 90 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 times before incubated at 55° C. for 10 min. At last, 40 &#956;L ULTIMA GOLD was added into each well, and CPM was read by TopCount. The compounds at different concentrations were incubate with hA2b membrane (from PerkinElmer) and [3H]-DPCPX for 60 min at 27° C., and the binding reactions were stopped by rapid filtration through 0.5% BSA coated UNIFILTER-96 GF/C plates using cell harvester. The filter plates were then washed three times with ice cold wash buffer, and dried at 37° C. for 120 min. At last, 50 &#956;L of scintillation cocktail was added into each well, and CPM was read by TopCount. The compounds at different concentrations were incubate with hA3 membrane (from PerkinElmer) and [125I]-AB-MECA for 60 min at 27° C., the binding reactions were stopped by rapid filtration through 0.5% BSA coated UNIFILTER-96 GF/C plates using cell harvester. The filter plates were then washed three times with ice cold wash buffer, and dried at 37° C. for 120 min. At last, 50 &#956;L of scintillation cocktail was added into each well, and CPM was read by TopCount.
9662	1	Amplified Luminescent Proximity Homogeneous Assay	Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extracellular domains of PD-1/PD-L1 or CTLA/CD80. Binding of the protein pairs is measured using a bead based Amplified Luminescent Proximity Homogeneous Assay (ALPHA) platform. Binding of each protein pair results in proximity of the donor and acceptor beads which leads to an increase in ALPHA signal. Disruption of the protein-protein interaction with a test compound results in a decrease in ALPHA signal. Assays are performed in 25 mM Hepes (pH 7.4), 150 mM NaCl, 3.4 mM EDTA, 0.005% Tween 20, and 0.01% BSA. Final protein concentration in the assays were 0.3 nM (His tagged PD-L1), 2.5 nM (biotinylated Fc-PD-1), 1 nM (His tagged CTLA4) and 1 nM (biotinylated CD80). After an assay reaction time of 60 minutes at 25° C., binding was measured with addition of 20 &#956;g/mL ALPHA assay acceptor beads (anti-His coated) and 20 &#956;g/mL ALPHA assay donor beads (streptavidin coated). 
9663	1	Fluorescence Polarization (FP) Competitive Binding Assay	A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM labeled fluorescent probe was designed and synthesized based on a MLL1 peptide (FAM-MM2). Equilibrium dissociation constant (Kd) value of FAM-MM2 to menin protein was determined from protein saturation experiments by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and the protein with increasing concentrations up to full saturation. Serial dilutions of the protein were mixed with FAM-MM2 to a final volume of 200 &#956;l in the assay buffer (PBS with 0.02% Bovine &#947;-Globulin and 4% DMSO. 0.01% Triton X-100 was added right before assays). Final FAM-MM2 concentration was 2 nM. Plates were incubated at room temperature for 30 minutes with gentle shaking to assure equilibrium. FP values in millipolarization units (mP) were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, v-bottom plates (Thermo Scientific, Waltham, Mash.) at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Kd value of FAM-MM2, which was calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 6.0 software (Graphpad Software, San Diego, Calif.), is determined as 1.4 nM.
9664	1	Inhibition Assay	TGF&#946;RI kinase assay kit (V4093, Promega) was used to assay enzyme activity. 2 &#956;l of enzyme solution (the final concentration of enzyme in the reaction system was 2 ng/&#956;L) formulated with reaction buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA), 1 &#956;l of a 3-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2 &#956;l of a mixed solution of ATP and TGF&#946;RI substrate peptide (the final concentration of ATP was 50 &#956;M, and the final concentration of substrate was 0.2 &#956;g/&#956;L) were added successively to a 384-well plate (4514, Corning). After reaction at 27° C. for 2.5 hours, 5 &#956;l of ADP-Glo solution in the kit was added to each well, then the plate was placed at 27° C. for 40 minutes. 10 &#956;l of kinase assay reagent was then added to each well, then the plate was placed at 27° C. for 30 minutes. The chemiluminescence signal values were measured with a Victor 3 (PerkinElmer) multi-function microplate reader. The IC50 values of the compounds for enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9664	2	Inhibition Assay	VEGFR2: Z&#39;-LYTEC Kinase Assay Kit&#151;Tyrosine 1 Peptide (PV3190, Invitrogen) was used to assay enzyme activity. 5 &#956;l of recombinant human VEGFR2 enzyme (PV3660, Invitrogen) and VEGFR2 substrate polypeptide (in the reaction system, the final concentration of enzyme was 0.14 ng/&#956;L, and the final concentration of substrate was 2 &#956;M) formulated with reaction buffer (50 mM HEPES pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.05% BRIJ-35), 2.5 &#956;l of a 2-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2.5 &#956;L of ATP solution (the final concentration of ATP was 50 &#956;M) were added successively to a 384-well plate (4513, Corning). After reaction at 25° C. for 2 hours, 5 &#956;L of detection reagent was added to each well. After the plate was placed at 25° C. for 1 hour, the fluorescence signal values at emission wavelengths of 445 nm and 520 nm were measured with a NOVOstar (BMG) multi-function microplate reader. The IC50 values of the compounds for enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9664	3	Inhibition Assay	p38&#945; kinase assay kit (V9591, Promega) was used to assay enzyme activity. 2 &#956;l of enzyme solution (the final concentration of enzyme in the reaction system was 0.5 ng/&#956;L) formulated with reaction buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA), 1 &#956;l of a 3-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2 &#956;l of a mixed solution of ATP and p38 substrate peptide (the final concentration of ATP was 50 &#956;M, and the final concentration of substrate was 0.2 &#956;g/&#956;L) were added successively to a 384-well plate (4514, Corning). After reaction at 27° C. for 2.5 hours, 5 &#956;l of ADP-Glo solution in the kit was added to each well, then the plate was placed at 27° C. for 40 minutes. 10 &#956;l of kinase assay reagent was then added to each well, then the plate was placed at 27° C. for 30 minutes. The chemiluminescence signal values were measured with a Victor 3 (PerkinElmer) multi-function microplate reader. The IC50 values of the compounds on enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9664	4	Inhibition Assay	RIPK2 kinase assay kit (V4084, Promega) was used to assay enzyme activity. 2 &#956;l of RIPK2 enzyme solution (the final concentration of enzyme in the reaction system was 0.5 ng/&#956;L) formulated with reaction buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA), 1 &#956;l of a 3-fold gradient dilution of Compound 1 dissolved in 5% DMSO, and 2 &#956;l of a mixed solution of ATP and MBP substrate peptide (the final concentration of ATP was 50 &#956;M, and the final concentration of substrate was 0.2 &#956;g/&#956;L) were added successively to a 384-well plate (4514, Corning). After reaction at 27° C. for 2.5 hours, 5 &#956;l of ADP-Glo solution in the kit was added to each well, then the plate was placed at 27° C. for 40 minutes. 10 &#956;l of kinase assay reagent was then added to each well, then the plate was placed at 27° C. for 30 minutes. The chemiluminescence signal values were measured with a Victor 3 (PerkinElmer) multi-function microplate reader. The IC50 values of the compounds for enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9665	1	In Vitro Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 pL aliquot of a ATP/peptide master mix (final concentration; ATP 10 kM, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, I pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 &#956;L of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 &#956;L of a 50 mM EDTA solution. Aliquots (5 &#956;L) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 &#956;L of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
9666	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
9667	1	Inhibition Assay	A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 &#956;l of the dilution was added to a 50 &#956;l reaction so that the final concentration of DMSO is 1% in all of reactions. The enzymatic reactions were conducted at room temperature for 60 minutes in a 50 &#956;l mixture containing PDE assay buffer, 100 nM FAM-cAMP or 100 nM FAM-cGMP, a PDE enzyme, and the test compound. After the enzymatic reaction, 100 &#956;l of a binding solution (1:100 dilution of the binding agent with the binding agent diluent) was added to each reaction and the reaction was performed at room temperature for 60 minutes. Fluorescence intensity was measured at an excitation of 485 nm and an emission of 528 nm using a Tecan Infinite M1000 microplate reader.
9668	1	Inhibition Activity Assay	IDO1: For testing, 24 &#956;L of enzyme (IDO1) was diluted 100 times with 50 mM KPB to 2400 &#956;L. The concentration of the enzyme solution was 2.6 ng/&#956;L. A 96 well reaction plate (AXYGEN, PCR-96-FLT-C) (hereinafter referred to as the reaction plate ) was added with the enzyme solution at 24 &#956;L/well. The blank well was added with 24 &#956;L of KPB [Preparation of KPB buffer (50 mM): 6.805 g of KH2PO4 was weighed using an analytical balance, and placed into a 1000 mL beaker, deionized water was added with a measuring cylinder to 900 ml, the pH was adjusted to 6.5 by 1M KOH, then the mixture was introduced into a 1 L measuring cylinder, and water was added to 1 L. It was stored at 4° C.]. Then, 1 &#956;L of a compound or DMSO was added into the corresponding wells in the reaction plate. Preparation of solution A: 200 &#956;L of 500 mM L-sodium ascorbate were added with 1050 &#956;L of KPB, then the mixture was mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. Solution B: 100 &#956;L of 10 mM tryptophan were added with 100 &#956;L of 100,000 unit/mL catalase, 5 &#956;L of 10 mM methylene blue, and 1050 &#956;L of KPB successively, then the mixture was mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. Then, 1200 &#956;L of solution A and 1200 &#956;L of solution B were taken and mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. The mixture was added to the reaction plate at 24 &#956;L/well. The reaction plate was placed in a plate centrifuge and centrifuged for 15 seconds at the maximum speed, so that the reaction liquids converged to the bottom. The reaction mixture was mixed uniformly for 30 seconds on a shaker, and incubated for 1 hour at 37° C. in a constant temperature incubator. In the reaction plate, 30% (W/V) trichloroacetic acid was added at 10 &#956;L/well, then the mixture was incubated for 15 minutes at 65° C. in an incubator. The reaction plate was centrifuged in a centrifuge for 5 minutes at 4700 RPM at room temperature. Then, 40 &#956;L of the supernatant was transferred from the reaction plate to the corresponding 96 well test plate (Corning, #3599) by a multi-channel pipette. Then, 2% (W/V) 4-(dimethylamino)benzaldehyde/glacial acetic acid solution was added at 40 &#956;L/well, and the mixture was mixed uniformly for 1 minute on a shaker at the maximum speed. After incubation for 2 minutes at room temperature, the absorbance at 480 nm was read on a Synergy HT (BIOTEK) reader.
9668	2	Inhibition Activity Assay	TDO: For testing, 24 &#956;L of enzyme (TDO) was diluted 100 times with 50 mM KPB to 2400 &#956;L. The concentration of the enzyme solution was 2.6 ng/&#956;L. A 96 well reaction plate (AXYGEN, PCR-96-FLT-C) (hereinafter referred to as the reaction plate ) was added with the enzyme solution at 24 &#956;L/well. The blank well was added with 24 &#956;L of KPB [Preparation of KPB buffer (50 mM): 6.805 g of KH2PO4 was weighed using an analytical balance, and placed into a 1000 mL beaker, deionized water was added with a measuring cylinder to 900 mL, the pH was adjusted to 6.5 by 1M KOH, then the mixture was introduced into a 1 L measuring cylinder, and water was added to 1 L. It was stored at 4° C.]. Then, 1 &#956;L of a compound or DMSO was added into the corresponding wells in the reaction plate. Preparation of solution A: 200 &#956;L of 500 mM L-sodium ascorbate was added with 1050 &#956;L of KPB, then the mixture was mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. Solution B: 100 &#956;L of 10 mM tryptophan was added with 100 &#956;L of 100,000 unit/ml catalase, 5 &#956;L of 10 mM methylene blue, and 1050 &#956;L of KPB successively, then the mixture was mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. Then, 1200 &#956;L of solution A and 1200 &#956;L of solution B were taken and mixed uniformly for 3 seconds at the maximum speed in a turbine mixer. The mixture was added to the reaction plate at 24 &#956;L/well. The reaction plate was placed in a plate centrifuge and centrifuged for 15 seconds at the maximum speed, so that the reaction liquids converged to the bottom. The reaction mixture was mixed uniformly for 30 seconds on a shaker, and incubated for 1 hour at 37° C. in a constant temperature incubator. In the reaction plate, 30% (W/V) trichloroacetic acid was added at 10 &#956;L/well, then the mixture was incubated for 15 minutes at 65° C. in a incubator. The reaction plate was centrifuged in a centrifuge for 5 minutes at 4700 RPM at room temperature. Then, 40 &#956;L of the supernatant was transferred from the reaction plate to the corresponding 96 well test plate (Corning, #3599) by a multi-channel pipette. Then, 2% (W/V) 4-(dimethylamino)benzaldehyde/glacial acetic acid solution was added at 40 &#956;L/well, then the mixture was mixed uniformly for 1 minute on a shaker at the maximum speed. After incubation for 2 minutes at room temperature, the absorbance at 480 nm was read on a Synergy HT Reader.
9669	1	AlphaScreen Assay	BRD4: 2.5 nM of BRD4(49-170) and 10 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &#956;L of buffer containing 50 mM HEPES 7.5, 100 nM NaCl, 1 mM TCEP, and 0.003% Tween-20. After 30 minutes incubation at room temperature, 15 &#956;L of detection buffer (BPS Bio. 33006) containing 7 &#956;g/mL of Glutathione AlphaLisa acceptor beads (Perkin Elmer AL109) and 14 &#956;g/mL of Streptavidin donor beads (Perkin Elmer 676002) was then added to the previous mixture. The reaction was incubated for an additional 2 hours at at room temperature, and the AlphaScreen signal was quantified using the Envision Multilabel plate reader. As negative control, GST-CBP(1081-1197) was incubated with the non-acetylated biotin-H4(1-21) peptide(AnaSpec. 62555) and in presence of 0.25% of final DMSO concentration.
9669	2	AlphaScreen Assay	CBP: 5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &#956;L of buffer containing 50 mM HEPES 7.5, 100 nM NaCl, 1 mM TCEP, and 0.003% Tween-20. After 30 minutes incubation at room temperature, 15 &#956;L of detection buffer (BPS Bio. 33006) containing 7 &#956;g/mL of Glutathione AlphaLisa acceptor beads (Perkin Elmer AL109) and 14 &#956;g/mL of Streptavidin donor beads (Perkin Elmer 676002) was then added to the previous mixture. The reaction was incubated for an additional 2 hours at at room temperature, and the AlphaScreen signal was quantified using the Envision Multilabel plate reader. As negative control, GST-CBP(1081-1197) was incubated with the non-acetylated biotin-H4(1-21) peptide(AnaSpec. 62555) and in presence of 0.25% of final DMSO concentration.
9670	1	Transcreener-Fluorecescence Polarization Assay	Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts of the reaction product, ADP. The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over the course of a 90 min incubation, which resulted in 10-12% conversion of the starting ATP to ADP. Final IRAK4 assay conditions were 1.25 nM IRAK4; 125 &#956;M ATP; 10 &#956;M MgCl2; 125 &#956;M peptide in reaction buffer (25 mM HEPES (pH7.4); 2 mM Dithiothreitol; 0.015% Brij-35; and 0.5% dimethyl sulfoxide. The IRAK1 activity was optimized similarly, yielding final assay conditions of 1.5 nM IRAK1; 62.5 &#956;M ATP; 5 &#956;M MgCl2, and 62.5 &#956;M IRAK1 peptide in reaction buffer for 60 min.
9671	1	Transcreener-Fluorecescence Polarization Assay	Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts of the reaction product, ADP. The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over the course of a 90 min incubation, which resulted in 10-12% conversion of the starting ATP to ADP. Final IRAK4 assay conditions were 1.25 nM IRAK4; 125 &#956;M ATP; 10 &#956;M MgCl2; 125 &#956;M peptide in reaction buffer (25 mM HEPES (pH7.4); 2 mM Dithiothreitol; 0.015% Brij-35; and 0.5% dimethyl sulfoxide. The IRAK1 activity was optimized similarly, yielding final assay conditions of 1.5 nM IRAK1; 62.5 &#956;M ATP; 5 &#956;M MgCl2, and 62.5 &#956;M IRAK1 peptide in reaction buffer for 60 min.
9672	1	Ligand Binding Assay	Human ROR&#947; ligand binding assay was performed in 96-well format. The N-terminal DNA binding domains (DBD) of the native ROR&#947; and ROR&#947;t receptors have been substituted with that of the yeast GAL4-DBD and ROR&#947; is expressed constitutively in the cell line. Both agonist and inverse agonist activity can be detected. 10 mM compound stocks were diluted serially 1:3 with DMSO and further diluted with provided media to generate 10 titration points from 60 &#956;M to 3 nM. These treatment conditions were added to the plates as 2× media in 100 &#956;L volume. Each plate includes a positive control with 10 titration points as well as 6 negative control wells with vehicle only. Reporter cells were rapidly thawed and added to the plates in 100 &#956;L volume. The plates were incubated for 24 hrs in a 37° C. humidified 5% CO2 incubator. Media was removed before the addition of room temperature Detection Substrate. After 5 minute incubation, the luminescence was quantified on a luminescence plate reader.
9673	1	Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XlFit (model 205, IDBS).
9674	1	Kinase Assay	1. Optimization of kinase concentration required to determine ATP Km,app. The assay was first performed at a high concentration of ATP (1 mM) against a dilution series of kinase in order to determine the amount of kinase required to elicit an approximately 80% change between the minimum and maximum TR-FRET emission ratios (the EC80 value).2. Determination of ATP Km,app. Using the concentration of enzyme determined in step 1, the assay was then performed against a dilution series of ATP in order to determine the amount of ATP required to elicit a 50% change between the minimum and maximum TR-FRET emission ratios (the EC50 value). This concentration of ATP was referred to as the apparent Km value for ATP, or the ATP Km,app.3. Optimization of kinase concentration required for assay at ATP Km,app. Using the ATP Km,app concentration of ATP determined in step 2, the kinase titration was repeated in order to determine the concentration of kinase required to elicit an approximately 80% change between the minimum and maximum TR-FRET emission ratios at the ATP Km,app concentration of ATP (the EC80 value). This was the concentration of kinase that will be used in an assay to determine an IC50 value for a compound of the invention.
9675	1	Enzyme Assay	The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluting the inhibitors in DMSO at compound concentration 200-fold the final in-assay concentration. Intermediate concentrations were prepared by diluting in DMSO in a four-fold series for a total of 11 data points.To prepare a working solution of human vanin-1, the enzyme was diluted to 33.3 pM in the assay buffer consisting of 50 mM Tris-HCl pH=8.0, 50 mM KCl, 0.005% Brij-35 and 1.6 mM cysteamine. To begin the assay 100 nL was transferred from the compound plate to the assay plate. Next, 15 &#956;L of the vanin-1 working solution were transferred to the assay plate. The inhibitor and enzyme were incubated at room temperature for 30 minutes. The enzyme reaction was then initiated by the addition of 5 &#956;L of 200 &#956;M pantetheine 7-amino-4-trifluoromethylcoumarin prepared in assay buffer. The final concentrations in the assay were 25 pM human vanin-1 and 50 uM substrate. The final concentration of DMSO was 0.5%. The assay plates were incubated for 60 minutes and before they were read on a Perkin Elmer EnVision Model 2103 using a 405 nm excitation wavelength and a 510 nm emission wavelength for detection.
9676	1	[35S]GTP&#947;S Binding Assay	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.). 
9677	1	Kinase Assay	Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Reagent (50 mM EDTA) are prepared. Test compound is diluted in 100% DMSO to 50-times the desired final inhibitor concentration (the Stock Solution) and serially diluted in half-log increments resulting in final concentrations 250 &#956;M to 75 &#956;M, 25 &#956;M, 7.5 &#956;M, 2.5 &#956;M, 0.75 &#956;M, 0.25 &#956;M, 75 nM, 25 nM, 7.5 nM in DMSO. 10 &#956;l of each compound is placed in a 96-well plate as the intermediate plate. 90 &#956;l of Kinase Buffer is added to to each well to prepare the intermediate plate.Figure US10906896-20210202-P00001Mix the compounds in intermediate plate for 10 min on shaker. For the assay of enzyme inhibitions, 5 &#956;l of each well from the intermediate plate is transferred to a 384-well plate in duplicates, 10. Then 10 &#956;l of 2.5× enzyme solution is added to each well of the 384-well assay plate and incubated for 10 min. Then enzyme substrate is added as 10 &#956;l of 2.5×FAM-labeled peptide+ATP solution to each well of the 384-well assay plate. The reaction is allowed to proceed at 28° C. and quenched with the addition of 25 &#956;l of stop buffer. 
9678	1	In Vitro Inhibition Assay	Table 5: Fresh solutions of the test compounds (2.5 mM in DMSO) are diluted in PBS pH7.4, at concentrations between 0.5 nM and 5 &#956;M in the presence of &#945;-syn (200 nM), A&#946;1-42 (500 nM) or Tau (200 nM) fibres and ThT 500 nM in a final 2 mL volume. The samples are incubated for 1 h at room temperature (RT) to reach equilibrium. The binding of ThT to &#945;-syn, A&#946;1-42 or Tau fibres is measured by fluorescence (excitation: 440 nm, emission: 480 nm). Inhibition of ThT binding by increasing concentrations of each test compound is measured by fluorescence reduction. Due to the partial superposition between the emission spectra of some compounds and ThT, the compounds are also incubated with &#945;-syn, A&#946;1-42 or Tau fibers in the absence of ThT. For each concentration, the fluorescence values in the absence of ThT are subtracted from those in the presence of ThT. The results are expressed as a percentage of the maximum fluorescence value of the ThT measured in the absence of a competitor (100% bind). 
9678	2	In Vitro Direct Determination By Fluorescence	Table 6 & 7: Fresh solutions of each test compound (2.5 mM in DMSO) are diluted in PBS pH=7.4 at concentrations between 0.5 nM and 5 &#956;M in the presence or absence of &#945;-syn (200 nM), A&#946;1-42 (500 nM) or Tau (200 nM) fibers in a final 2 mL volume. After 1 h of incubation at RT, the binding of each compound to &#945;-syn, A131-42 or Tau fibers is measured by fluorescence using the spectral changes of the compounds during their binding to the fibers, using the appropriate excitation/emission wavelengths (those giving the highest fluorescence variation during binding to the fibres). For each concentration of compound added to the fibres, the bound and free fractions are measured by fluorescence according to the following equation:F m =F B B+F F×(T&#8722;B).
9679	1	Kinase Activity Assay	TGF&#946;RI kinase assay kit (V4093, Promega) was used to assay enzyme activity. 2 &#956;l of enzyme solution (the final concentration of enzyme in the reaction system was 2 ng/&#956;L) formulated with reaction buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA), 1 &#956;l of a 3-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2 &#956;l of a mixed solution of ATP and TGF&#946;RI substrate peptide (the final concentration of ATP was 50 &#956;M, and the final concentration of substrate was 0.2 &#956;g/&#956;L) were added successively to a 384-well plate (4514, Corning). After reaction at 27° C. for 2.5 hours, 5 &#956;l of ADP-Glo solution in the kit was added to each well, then the plate was placed at 27° C. for 40 minutes. 10 &#956;l of kinase assay reagent was then added to each well, then the plate was placed at 27° C. for 30 minutes. The chemiluminescence signal values were measured with a Victor 3 (PerkinElmer) multi-function microplate reader. The IC50 values of the compounds for enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9679	2	Kinase Activity Assay	VEGFR2: Z&#8242;-LYTE Kinase Assay Kit Tyrosine 1 Peptide (PV3190, Invitrogen) was used to assay enzyme activity. 5 &#956;l of recombinant human VEGFR2 enzyme (PV3660, Invitrogen) and VEGFR2 substrate polypeptide (in the reaction system, the final concentration of enzyme was 0.14 ng/&#956;L, and the final concentration of substrate was 2 NM) formulated with reaction buffer (50 mM HEPES pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.05% BRIJ-35), 2.5 &#956;l of a 2-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2.5 &#956;L of ATP solution (the final concentration of ATP was 50 &#956;M) were added successively to a 384-well plate (4513, Corning). After reaction at 25° C. for 2 hours, 5 &#956;L of detection reagent was added to each well. After the plate was placed at 25° C. for 1 hour, the fluorescence signal values at emission wavelengths of 445 nm and 520 nm were measured with a NOVOstar (BMG) multi-function microplate reader. The IC50 values of the compounds for enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9679	3	Kinase Activity Assay	p38&#945; kinase assay kit (V9591, Promega) was used to assay enzyme activity. 2 &#956;l of enzyme solution (the final concentration of enzyme in the reaction system was 0.5 ng/&#956;L) formulated with reaction buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA), 1 &#956;l of a 3-fold gradient dilution of the compounds dissolved in 5% DMSO, and 2 &#956;l of a mixed solution of ATP and p38 substrate peptide (the final concentration of ATP was 50 &#956;M, and the final concentration of substrate was 0.2 &#956;g/&#956;L) were added successively to a 384-well plate (4514, Corning). After reaction at 27° C. for 2.5 hours, 5 &#956;l of ADP-Glo solution in the kit was added to each well, then the plate was placed at 27° C. for 40 minutes. 10 &#956;l of kinase assay reagent was then added to each well, then the plate was placed at 27° C. for 30 minutes. The chemiluminescence signal values were measured with a Victor 3 (PerkinElmer) multi-function microplate reader. The IC50 values of the compounds on enzyme inhibition were calculated using Graphpad prism software based on each concentration of the compound and the corresponding signal value thereof.
9680	1	Enzyme Activity Assay	The human PDE4D catalytic domain (UniProt no. Q08499 [5380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference compound. Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggers time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.
9681	1	Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
9682	1	Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9683	1	Inhibition Activity Assay	Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen ) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 &#956;M, FGFR1 substrate); and Poly [E,Y] 4:1 (0.2 mg/ml, FGFR2,3,4 substrate)] in kinase reaction buffer (20 mM HEPES-HCl, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.1 mM Na3VO4, 0.02 mg/ml BSA, 2 mM DTT, and 1% DMSO). Compound was added to the enzyme/substrate mixture using acoustic technology (Labcyte Echo 550, Sunnyvale, Calif.) (see, Olechno et al., 2006, Improving IC50 results with acoustic droplet ejection. JALA 11, 240-246) and pre-incubated for 0, 15, or 60 minutes at room temperature. After compound pre-incubation, a mixture of ATP (Sigma-Aldrich ) and 33P-&#947;-ATP (PerkinElmer) was added to a final concentration of 10 &#956;M to initiate kinase reactions. Reactions were incubated for 120 minutes at room temperature and then spotted onto Whatman P81 ion exchange filter paper. Unbound phosphate was removed by extensively washing filters in 0.75% phosphoric acid. See, Anastassiadis et al., 2011, Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. 
9684	1	Fluorescence Polarization Assay	Binding to PDE&#948; was validated and quantified by means of a displacement assay employing a fluorescent-tagged analog of the HMG-CoA reductase inhibitor Atorvastatin (Lipitor ) which has previously been shown to also bind to PDE&#948;. The KD values were determined by the Fluorescence polarization competition binding assay previously developed by the inventors (Nature 2013, 497, 638).
9685	1	Binding Assay	Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of ice cold modified sucrose phosphate buffer (0.32 M sucrose, 7.74 mM Na2HPO4, 2.26 mM NaH2PO4, pH adjusted to 7.4) using a Brinkman Polytron (setting 6 for 20 sec) and centrifuged at 20,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 10 mg/ml. Ligand binding experiments were conducted in assay tubes containing 0.5 ml sucrose phosphate buffer for 120 min on ice. Each tube contained 0.5 nM 3H WIN 35428 (specific activity 84 Ci/mmol) and 1.0 mg striatal tissue (original wet weight). Nonspecific binding was determined using 0.1 mM cocaine HCl. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% PEI (polyethyleneimine), using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 5 ml cold buffer and transferred to scintillation vials. Beckman Ready Safe (3.0 ml) was added and the vials were counted the next day using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Data were analyzed by using GraphPad Prism software (San Diego, Calif.).
9685	2	Binding Assay	Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25° C.), using a Brinkman Polytron and centrifuged at 50,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 15 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at room temperature. Each tube contained 1.4 nM [3H]Citalopram (Amersham Biosciences, Piscataway, N.J.) and 1.5 mg midbrain tissue (original wet weight). Nonspecific binding was determined using 10 mM fluoxetine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.3% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted the next day using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Each compound was tested with concentrations ranging from 0.01 nM to 100 mM for competition against binding of [3H]Citalopram, in at least three independent experiments, each performed in triplicate. Data were analyzed with GraphPad Prism software (San Diego, Calif.).
9685	3	Binding Assay	Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25° C.), using a Brinkman Polytron and centrifuged at 50,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 80 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at 0-4° C. Each tube contained 0.5 nM [3H]Nisoxetine (PerkinElmer Life Sciences, Boston, Mass.) and 8 mg frontal cortex tissue (original wet weight). Nonspecific binding was determined using 1 mM desipramine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Each compound was tested with concentrations ranging from 0.01 nM to 100 mM for competition against binding of [3H]Nisoxetine, in at least three independent experiments, each performed in triplicate. 
9686	1	Assay for Determination of KI Values for Inhibition of O-GlcNAcase Activity 	Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction was 0.7 nM. Test compound of varying concentrations was added to the enzyme prior to initiation of the reaction. The reaction was performed at room temperature in a 96-well plate and was initiated with the addition of substrate. The production of fluorescent product was measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production was determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. The values for a four parameter logistic curve fit of the data were determined. KI values were determined using the Cheng-Prusoff equation; the Km of O-GlcNAcase for substrate was 0.2 mM. Many compounds of the invention exhibit KI values for inhibition of O-GlcNAcase in the range 0.1 nM-10 &#956;M. The KI values for the compounds of the examples are shown in the table below. The following table shows representative data for the compounds of the Examples as determined by the assay described herein.
9687	1	In-Vitro Fluorescence Polarization Assay	The fluorescence polarization assay tests the ability of compounds to inhibit the self-aggregation of &#945;-synuclein peptide fragments. Peptides were incubated for 120 min at room temperature in the presence or absence of test compounds (compound concentrations were 33.3 to 0.015 DM). Samples were read on a Beckman Coulter DTX 880 plate reader in fluorescence polarization mode using excitation at 485 nm and emission at 520 nm. Data was analyzed using a four-parameter logistic fit (XLFit, IDBS Software). Peptide 4F (CTGFVKKDQLGK (SEQ ID NO: 1)) was prepared by American Peptide. Fresh peptide samples were reconstituted in purified water at 5 mM and diluted into 50 mM HEPES pH 7.4 with 50 mM NaCl to 100 nM final concentration. Solid compounds were dissolved in DMSO (10 mM), and then diluted serially in DMSO (300×) followed by dilution in buffer (1×) to provide solutions with a consistent final DMSO concentration of 0.33%.
9688	1	LanthaScreen Biochemical Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls
9689	1	FLIPR Assay	The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37° C., and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 20 minutes at room temperature prior to adding agonist. Following this incubation, about an EC50 concentration of cinnamaldehyde (75 uM for human TRPA1 and 45 uM for rat TRPA1) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.The IC50 results were fit with a standard Hill function, keeping the Hill coefficient (n) fixed to 1.5. Fixing the Hill coefficient will generally reduce variability of the IC50 determination. The IC50 results were individually examined to make sure the MIN and MAX points were set correctly prior to validation of the results.
9691	1	Enzyme Inhibition Assay	Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C.Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts. 
9692	1	Scintillation Proximity Binding Assay	Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer&#39;s recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 &#956;l per well in SPA buffer (1×PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7 Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 &#956;M of unlabeled retinol. The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4° C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
9693	1	Biochemical Assay	USP28: The assay was performed in a final volume of 20 uL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 2 mM BME (2-Mercaptoethanol; Sigma 63689-25ML -F), 0.01% Prionex (0.22 uM filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at 20&deg; C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at 20&deg; C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 uM (DMSO(fc)=0.5%). Enzyme (USP28, construct USP28 (USP28-5(1-1077)-TEV-6*His; LifeSensors) concentration and incubation times were optimized for the maximal signal-to -background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 400 pM. Final substrate (Ub-Rh110; Ubiquitin -Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110] Km. 10 uL of 2x enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2xUb-Rh110 or preincubated with USP28 40 minutes prior to the addition of 10 uL of 2xUb -Rh110 to compound plates. Plates were incubated stacked for 90 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
9693	2	Biochemical Assay	USP25: The assay was performed in a final volume of 9 uL in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HC1, pH 8.0 solution; Corning 46-031-CM)), 3 mM BME (2-Mercaptoethanol; Sigma 63689-25ML-F), 0.03% BGG (0.22 uM filtered, Sigma, G7516-25G), and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO was pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 25 uM to 1.3 nM, top to lowest dose, respectively. Enzyme USP25, construct USP25-His6, (Boston Biochem E-546). Concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 75 pM. Final substrate (Ub -Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub -Rh110] Km. 3 uL of 2x enzyme was added to assay plates (pre-stamped with compound) preincubated with USP25 for 30 minutes and then 3 uL of 2x Ub-Rh110 was added to assay plates. Plates were incubated for 45 minutes at room temperature before addition of 3 uL of stop solution (final concentration of 10 mM citric acid (Sigma, 251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
9694	1	Rat FAAH Inhibition Assay	Active rat FAAH protein (30-579) was isolated as described in the literature. The coding sequence of amino adds 30-579 of rat FAAH were cloned into the expression vector pET28a to provide an N-terminal His-tag. Following expression, the His-tagged FAAH (30-579) was isolated using a method based on Patricelli at al., 1998; Biochemistry vol 37, p 15177 with a combination of chelating sepharose, heparin sepharose and size exclusion chromatography.FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate Arachidonoyl 7-Amino, 4-methyl Coumarin Amide (AAMCA) by FAAH. Inhibition of FAAH activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 &#956;l of FAAH protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 120 nM, with increasing concentrations of compounds (2.5 &#956;l in 100% DMSO) for 0, 1 or 3 hours at room temperature. 2.5 &#956;l of DMSO was added for total controls (100% FAAH activity) and 2.5 &#956;l of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 &#956;M) was used for non-specific controls (0% FAAH activity). 20 &#956;l of 7.5 &#956;M AAMCA substrate (in FAAH assay buffer) was then added to all wells and incubated at room temperature for a further 1.5 hours. Fluorescence was determined at an excitation wavelength of 355 nm and an emission wavelength of 460 nm using a Flexstation plate reader (Molecular Devices, UK). Inhibition of FAAH activity, by the compounds, was determined as the percentage reduction in relative fluorescence units (RFU) compared to the total controls (in the absence of compound) minus the non-specific controls. IC50 values were determined, from 10-point dose response curves, in XL-Fit using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model).
9694	2	Human FAAH 1 Assay	Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of the substrate arachidonoyl 7-amino, 4-methyl coumarin amide (AAMCA) by FAAH. Inhibition of human FAAH 1 activity was determined as a percentage reduction of the fluorescence determined in the absence of compound.The assay was carried out in black-walled, clear bottom, 384-well plates. 27.5 dl of human FAAH 1 protein (in FAAH assay buffer: 50 mM Hepes, 0.01% Triton X-100, 1 mM EDTA, 0.5 mg/ml BSA (fatty-acid-free), pH 8.2) was pre-incubated, at 10 nM, with increasing concentrations of compounds (2.5 &#956;l in 100% DMSO) for 1 hour at room temperature. 2.5 d of DMSO was added for total controls (100% FAAH activity) and 2.5 &#956;l of URB-597, a known inhibitor of FAAH activity, (at a final, saturating, concentration of 10 &M) was used for non-specific controls (0% FAAH activity). 20 d of 7.5 &#956;M AAMCA substrate (in FAAH assay buffer) was then added to all wells and incubated at room temperature for a further 4 hours. Fluorescence was determined at an excitation wavelength of 355 nm and an emission wavelength of 460 nm using a Flexstation plate reader (Molecular Devices, UK). Inhibition of human FAAH 1 activity, by the compounds, was determined as the percentage reduction in relative fluorescence units (RFU) compared to the total controls (in the absence of compound) minus the non-specific controls. IC50 values were determined, from 10-point dose response curves, in XL-Ft using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model).
9695	1	ADP-Glo Kinase Assay	Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room temperature in the presence of ATP, substrate and enzyme in a final volume of 15 microL of kinase buffer in 384-well plates (Perkin Elmer cat. #6007290).The final concentration of the different reagents is 52 microM ATP, 8 nM PERK, 300 microM substrate, 50 mM Hepes pH 7.5, 3 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, 0.2 mg/ml BSA, 1% DMSO.After 60 minutes, an equal volume (15 microL) of ADP-Glo Reagent was added to each well to terminate the kinase reaction and deplete the remaining ATP. After 40 minutes, 30 microL of Kinase Detection Reagent is added, which simultaneously converts ADP to ATP and allows the newly synthesized ATP to be measured using a coupled luciferase/luciferin reaction. After further 40 minutes luminescence was read by ViewLux Instrument (Perkin Elmer). The data are analyzed by GraphPad Prism software which provides sigmoidal fittings of the curves for IC50 determination using a 4 parameter logistic equation:y=bottom+(top&#8722;bottom)/(1+10{circumflex over (&#8195;)}((log IC50 &#8722;x)*slope))where x is the logarithm of the inhibitor concentration, y is the response; y starts at bottom and goes to top with a sigmoid shape.
9695	2	Quantification of the Phosphorylated Product Formed from the Kinase Reaction in Presence of ATP	Serially diluted compounds were incubated for 60 minutes at room temperature in the presence of ATP/P33 gammaATP mix, substrate and enzyme in a volume of 15 microL of kinase buffer in 384-well plates (Thermo Scientific, cat #4312).The reaction volume contains, in final concentration, 52 microM ATP, 8 nM PERK and 300 microM substrate in 50 mM Hepes pH 7.5, 3 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, 0.2 mg/ml BSA. The final concentration of DMSO was 1%.At the end of the incubation, an amount of 60 microL of Dowex resin (Sigma, customized resin 1×8 200-400 mesh cat #13858-U) in 150 mM sodium formate buffer pH=3.0 was added to stop the reaction and capture unreacted ATP/P33 gammaATP, separating it from the phosphorylated substrate in solution. After 60 minutes of rest, a volume of 22 microL of supernatant was transferred into 384-Optiplates (Perkin-Elmer, cat #6007290). After the addition of 50 microL of Microscint 40 (Perkin-Elmer, cat #6013641), the radioactivity was counted in the TopCount (Perkin Elmer).The data per each molecule are analyzed by an internally customized version of the SW package Assay Explorer , or by GraphPad Prizm software alternatively, which provides sigmoidal fittings of the curves for IC50 determination using a 4 parameter logistic equation:y=bottom+(top&#8722;bottom)/(1+10{circumflex over (&#8195;)}((log IC50 &#8722;x)*slope))where x is the logarithm of the inhibitor concentration, y is the response; y starts at bottom and goes to top with a sigmoid shape.
9696	1	TTBK1 Assay	TTBK1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 0.1% &#946;-mercaptoethanol, 1 mg/ml BSA, 10 mM DTT) is assayed against RRKDLHDDEEDEAMSITA in a final volume of 25.5 &#956;l containing 50 mM Tris pH 7.5, 0.1 mM EGTA, 0.3 mM RRKDLHDDEEDEAMSITA, 10 mM magnesium acetate and 0.005 mM [33P-&#947;-ATP] (50-1000 cpm/pmole) and incubated for 30 min at room temperature. Assays are stopped by addition of 5 &#956;l of 0.5 M (3%) orthophosphoric acid and then harvested onto P81 Unifilter plates with a wash buffer of 50 mM orthophosphoric acid.
9696	2	JAK2 Assay	JAK2 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 0.05% 0-mercaptoethanol, 1 mg/ml BSA) is assayed against PDKtide (KTFCGTPEYLAPEVRREPRILSEEEQ-EMFRDFDYIADWC) in a final volume of 25.5 &#956;l containing 50 mM Tris pH 7.5, 0.1 mM EGTA, 0.05% 0-mercaptoethanol, 100 &#956;M substrate peptide, 10 mM magnesium acetate and 0.005 mM [33P-&#947;-ATP] (50-1000 cpm/pmole) and incubated for 30 min at room temperature Assays are stopped by addition of 5 &#956;l of 0.5 M (3%) orthophosphoric acid and then harvested onto P81 Unifilter plates with a wash buffer of 50 mM orthophosphoric acid.
9697	1	HIF-1alpha transactivation assays	NIH3T3-EPO-luc cells were maintained at 37° C. in a humidified atmosphere containing 5% CO2 in DMEM supplemented with 10% fetal calf serum (FBS), and 1% (v/v) penicillin/streptomycin. Deferoxamine (DFX) was purchased from Sigma-Aldrich (USA). Cells (1×104/well in 96-well plates) were seeded the day before the assay. The next day, the cells were stimulated with increasing concentrations of either Cannabidiol (CBD), VCE-004 or compounds II to X. After six hours of stimulation the cells were lysed in 25 mM Tris-phosphate pH 7.8, 8 mM MgCl2, 1 mM DTT, 1% Triton X-100, and 7% glycerol during 15 min at RT in a horizontal shaker. Luciferase activity was measured using a microplate luminometer (Berthold) following the instructions of the luciferase assay kit (Promega, Madison. Wis., USA).
9697	2	HIF-1alpha transactivation assays	HaCaT-EPO-Luc cells were maintained at 37° C. in a humidified atmosphere containing 5% CO2 in DMEM supplemented with 10% fetal calf serum (FBS), and 1% (v/v) penicillin/streptomycin. The cells (1×105/well in 24-well plates) were seeded the day before the assay and then stimulated with increasing concentrations of either Cannabidiol (CBD), VCE-004 or compounds II to X. After six hours of stimulation the cells were lysed in 25 mM Tris-phosphate pH 7.8, 8 mM MgCi2, 1 mM DTT, 1% Triton X-100, and 7% glycerol during 15 min at RT in a horizontal shake. Luciferase activity was measured in the cell lysates as indicated for NIH3T3-EPO-Luc cells. The RLUs are calculated and the EC50 and IRA (Intrinsic relative activity) values in both cell lines were determined relative to 150 &#956;M deferoxamine (DFX) using the following equation: IRA coefficient=(EC50-DFX×Emax)/(EC50×Emax-DFX), where EC50 and Emax denote EC50 and Emax of the agonist, and EC50-DFX and Emax-DFX denote EC50 and Emax values of the standard agonist DFX.
9698	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
9699	1	Activity assay for influenza virus neuraminidase	Experimental materials:NA (neuraminidase) solution: allantoic fluid of chicken embryo infected by influenza virus;Enzyme catalyzed reaction system:        330 mmol/L of MES buffer solution (pH 3.5);        200 &#956;mol/L of fluorogenic substrate MUNANA (2&#8242;-(4-methylumbelliferyl)-&#945;-D-N-acetylneuraminic acid);4 mmol/L of CaCl2 solution;        Stop buffer: 14 mmol/L of NaOH solution (14 mmol/L, 83% ethanol);        Oseltamivir: 1 mmol/L;Enzyme activity assay:        NA solution (with different diluted concentration) 40 &#956;l;        MES (fatty acid methyl ester sulfonate) (330 mmol/L): 10 &#956;l;        CaCl2 (4 mmol/L): 10 &#956;l;        MUNANA (200 &#956;mol/L): 10 &#956;l;        H2O: 30 &#956;l;        The above materials were mixed together and incubated for 15 minutes, and 150 &#956;l of the stop buffer was added:        EX=355 nm XM=460 nm.
9700	1	URAT1-Model Assay	HEK293 human embryonic kidney cells (ATCC #CRL-1573) were propagated in EMEM tissue culture medium as described by ATCC in an atmosphere of 5% C02 and 95% air. Transfections of HEK293 cells with a model URAT1 construct was performed using L2000 transfection reagent (Invitrogen) as described by the manufacturer. After 24 h the transfected cells were split into 10 cm tissue culture plates and grown for 1 day after which the medium was replaced with fresh growth medium containing G418 (Gibco) at 0.5 mg/ml final concentration. Drug-resistant colonies were selected after approximately 8 days and then tested for 14C-uric acid transport activity. The HEK293/URAT1-model cells are plated on Poly-D-Lysine Coated 96-well Plates at a density of 125,000 cells per well.Cells were grown overnight (20-26 hours) at 37° C. in an incubator. Plates were allowed to come to room temperature and media was washed out with one wash of 250 &#956;l of Wash Buffer (125 mM Na Gluconate, 10 mM Hepes ph 7.3). Compound or vehicle is added in assay buffer with 14C-uric acid for a final concentration of 125 &#956;M Uric Acid with a specific activity of 54 mCi/mmol. Assay Buffer is 125 mM Sodium Gluconate, 4.8 mM Potassium Gluconate, 1.2 mM Potassium phosphate, monobasic, 1.2 mM magnesium sulfate, 1.3 mM Ca Gluconate, 5.6 mM Glucose, 25 mM HEPES, pH 7.3. Plates were incubated at room temperature for 10 minutes then washed 3 times with 50 &#956;l Wash Buffer and 3 times with 250 &#956;l Wash Buffer. Microscint 20 Scintillation Fluid was added and plates were incubated overnight at room temperature to equilibrate. Plates are then read on the TopCount Plate Reader and an EC50 value generated. (See Enomoto et al, Nature, 2002, 417, 447-451 and Anzai et al, J. Biol. Chem., 2004, 279, 45942-45950.).
9701	1	IPOne assay	IP1 accumulation measurements using the IPOne assay system 1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h before the assay in white 384-well plates in culture medium containing 10% FCS, 1% Na-Pyruvate and 400 &#956;g/mL G418. IP1 is assayed according to the manufacturer&#39;s description (Cisbio Bioassays, France). In brief, the assay is started by substitution of the culture medium by stimulation buffer (Hepes 10 mM, CaCl2 1 mM, MgCl2 0.5 mM, KCl 4.2 mM, NaCl 146 mM, glucose 5.5 mM and LiCl 50 mM, pH 7.4). Cells are stimulated for 1 h at 37° C., 5% CO2 by addition of the compounds that are diluted in stimulation buffer containing LiCl. Assays are stopped by adding HTRF-conjugates (IP1-d2 and Anti-IP1 cryptate Tb) and lysis buffer, provided by the manufacturer. After an incubation time of 1 h at room temperature plates are measured using an EnVision , Perkin Elmer. The obtained fluorescence ratios at 665/615 nM are then used to calculate the pEC50 values using Assay Explorer 3.3 Software (Accelrys, Inc.) by interpolation using an IP1 reference curve and subsequent sigmoidal curve fitting allowing for a variable hill slope.
9702	1	Mutant IDH1 R132H Biochemical Assay	mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (&#945;-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by luminescent readout.The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 &#956;L and the following assay buffer conditions: 50 mM Tris pH 7.5, 100 mM NaCl, 20 mM MgCl2, 0.05% BSA, 0.01% Brij, 1 &#956;M NADPH, and 250 &#956;M &#945;-KG. The IDH1 R132H enzyme was used in a final concentration of 1.5 nM. Test compounds were used in a concentration range between 0.002 and 10 &#956;M. The final DMSO concentration was 2.4%.The reaction was incubated for 30 minutes, then 40 &#956;L of detection mix (0.75 &#956;g/ml Luciferase, 0.02 U/ml Oxidoreductase, 4 &#956;g/mL FMN, 2 &#956;L/ml decanal/ethanol, 50 mM Tris pH 7.5, 0.5% Glycerin, 0.01% Tween-20, 0.05% BSA) was added. Luminescence was measured on a luminescent reader (10 seconds measuring time, 1 second integration period, 30% sensitivity). The decrease in luminescence is proportional to mIDH1 activity. IC50 values are determined by interpolation from plots of relative luminescence versus inhibitor concentration.
9702	2	Mutant IDH1 Cellular Assay	Levels of (2R)-2-hydroxyglutarate (2HG) were measured in medium of a cell line with overexpression of mutated isocitrate dehydrogenase (mIDH) protein. mIDH catalyzes the NADPH-dependent reduction of alpha-ketoglutarate to 2-HG. Cells (LN229 R132H, Mohrenz et al., Apoptosis (2013) 18:1416-1425) were grown in DMEM containing 10% FCS. They were harvested by trypsin and seeded into 96-well plates. Cells were incubated overnight at 37° C. in 5% CO2. The next day test compounds were added to each cell well. The final concentration of DMSO was 0.1% and DMSO controls were included. The plates were then placed in an incubator for 24 hours.2-HG was measured according to Balss et al. (Acta Neuropathol (2012) 124: 883-891). Briefly, perchloric acid was added to each well and the plates were centrifuged. Aliquots are removed and incubated with hydroxyglutarate dehydrogenase (HGDH), diaphorase, NAD+, and resazurin. The conversion of resazurin to resorufin was detected by fluorescence spectroscopy at Ex 540 nm Em 600 nm. The increase in fluorescence is proportional to 2-HG production. IC50 values are determined by interpolation from plots of relative fluorescence vs inhibitor concentration.
9703	1	Method for Testing Activities of Compounds at Enzyme Level	Principles of activity test at enzyme level: firstly, dihydroorotate (DHO) is oxidatively dehydrogenated by DHODH to form orotic acid (Orotate, OA), accompanied by reduction of Flavin mononucleotide (FMN) into reduced flavin mononucleotide (FMNH2) by accepting 2H+ and 2e&#8722;, then coenzyme Q (CoQ) as hydrogen acceptor accepting electron and proton from FMNH2 is reduced into reduced coenzyme Q (CoQH2), reduced coenzyme Q transfers electrons to a chromogenic substrate, diclofenac sodium salt (DCIP), and finally DCIP was reduced. DCIP shows maximum absorption at 600 nm, while the reduced DCIP does not show absorption at 600 nm. The degree to which the substrate DHO is oxidized can be judged based on the degree of decrease in absorbance. The degree of oxidation of the substrate DHO per unit time is the initial rate of the enzymatic reaction. Upon addition of a inhibitor, the initial rate of the enzymatic reaction is reduced.The purified DHODH was diluted to 10 nM with a test buffer (50 mM HEPES, pH 8.0, 150 mM KCl, 0.1% Triton X-100), and coenzyme Q and DCIP were added to a final concentration of 100 &#956;M and 120 &#956;M, respectively, mixed well, added into a 96-well plate and incubated for 5 min at room temperature. Substrate DHO was added to start the reaction with a DHO final concentration of 500 &#956;M. The absorbance was read at 600 nm using a BioTek microplate reader and read every 30 s for 6 min. For inhibitor activity test, different concentrations of inhibitors were added into the above reaction system, the initial rate of enzymatic reaction when no inhibitor was added was V0, and the initial rate of enzymatic reaction after an inhibitor was added was Vi, and the inhibition rate of a compound was calculated by the formula (1&#8722;Vi/V0)×100%. For calculating IC50 of a compound, Origin 8.0 was used to test the inhibition rate at least 8 concentrations. In the experimental procedure, Brequinar (purchased from Sigma-Aldrich Reagent) was used as a positive control and at least three parallels were set in each experiment.
9704	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1 M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
9705	1	Compound Profiling Methods	Strains expressing SCD1 or SCD5 as the sole desaturase, the human SCD1 and SCD5 genes were used to evaluate inhibition of SCD1/SCD5 using reduced growth as a surrogate for SCD inhibition. These yeast strains express human SCD1 or SCD5 from a plasmid harbored in a strain in which the yeast OLE1 gene is deleted.All compound profiling experiments were performed using the same basic protocol. Yeast were cultured using standard techniques in complete synthetic media lacking uracil and containing yeast nitrogen base supplemented with 2% (w/v) glucose (SD-Ura) Starter cultures were inoculated in 3 mL SD-Ura media containing 0.01% tween and 0.2 mM palmitoleic and oleic acid. Cultures were incubated overnight in a 30° C. shaker incubator (225 rpm). Saturated morning cultures were centrifuged, washed in SD-Ura media lacking TWEEN-20 and fatty acids, and then diluted 1:20 in fresh SD-Ura media also lacking TWEEN-20 and fatty acids. Cells were grown for 6 h to an OD600 (optical density) of 0.4-0.8 at 30° C. with shaking.Compound stocks (10 mM in 100% DMSO) were arrayed into 384-round well, v-bottom polypropylene plates and diluted according to indicated dilution factors. Compound administration was performed in two separate steps. First, 15 &#956;L of SD-Ura was dispensed into clear 384-well assay plates using a MULTIDROP Combi reagent dispenser. The diluted compound stock plates were then applied to the assay plates using an automated workstation (Perkin Elmer JANUS ) outfitted with a 384-pin tool containing slotted pins that deliver 100 nL of compound. The cultures described above were centrifuged and washed with media lacking TWEEN-20 or oleic and palmitoleic acids. Cultures were then resuspended at a 2-fold concentrated OD600 of 0.02 (final OD600 of 0.0.01) in SD-Ura. 15 &#956;L of diluted culture was then dispensed into the pinned assay plate to achieve 30 &#956;L of the 1×OD600 culture (0.01) and a top drug concentration of 33.3 &#956;M.After yeast delivery, assay plates were incubated under humidified conditions at 30° C. for 40 h. Yeast growth was monitored by reading the OD600 of each well using a microplate reader (Perkin Elmer EnVision ). Data were analyzed as follows. Raw data were processed by background subtracting and converting values to a percent of the nontreated condition for that strain [(EXP-0.035)/(DMSO-0.035)×100%].
9706	1	JAK1 Inhibition Assay	Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) is purchased from Carna Biosciences. 10 ng of JAK1 is incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (15 mM Tris-HCl pH 7.5, 1 mM DTT, 0.01% Tween-20, 10 mM MgCl2, 2 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 45 min at 30° C., reactions are stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity is determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series are prepared for the compounds enabling the testing of dose-response effects in the JAK1 assay and the calculation of the IC50 for each compound. Each compound is routinely tested at concentration of 20 &#956;M followed by a 1/3 serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions are prepared and/or the top concentration is lowered (e.g. 5 &#956;M, 1 &#956;M).
9706	2	JAK2 Inhibition Assay	Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) is purchased from Invitrogen. 0.025 mU of JAK2 is incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (5 mM MOPS pH 7.5, 9 mM MgAc, 0.3 mM EDTA, 0.06% Brij and 0.6 mM DTT, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions are stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity is determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series are prepared for the compounds enabling the testing of dose-response effects in the JAK2 assay and the calculation of the IC50 for each compound. Each compound is routinely tested at concentration of 20 &#956;M followed by a 1/3 serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions are prepared and/or the top concentration is lowered (e.g. 5 &#956;M, 1 &#956;M).
9706	3	JAK3 Inhibition Assay	Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) is purchased from Invitrogen. 0.025 mU of JAK3 is incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerolphosphate, 0.01% Triton X-100, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 min at 30° C., reactions are stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity is determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series are prepared for the compounds enabling the testing of dose-response effects in the JAK3 assay and the calculation of the IC50 for each compound. Each compound is routinely tested at concentration of 20 &#956;M followed by a 1/3 serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions are prepared and/or the top concentration is lowered (e.g. 5 &#956;M, 1 &#956;M).
9706	4	TYK2 Inhibition Assay	Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) is purchased from Carna biosciences. 5 ng of TYK2 is incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Hepes pH 7.5, 100 mM NaCl, 0.2 mM Na3VO4, 0.1% NP-40, 0.1 &#956;M non-radioactive ATP, 0.125 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions are stopped by adding 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 &#956;L/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity is determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series are prepared for the compounds enabling the testing of dose-response effects in the TYK2 assay and the calculation of the IC50 for each compound. Each compound is routinely tested at concentration of 20 &#956;M followed by a 1/3 serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions are prepared and/or the top concentration is lowered (e.g. 5 &#956;M, 1 &#956;M).
9707	1	HEK-Blue TLR7 reporter assay	Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) reporter transgene were suspended in a non-selective, culture medium (DMEM high-glucose (Invitrogen), supplemented with 10% fetal bovine serum (Sigma)). HEK-Blue TLR7 cells were added to each well of a 384-well tissue-culture plate (15,000 cells per well) and incubated 16-18 h at 37° C., 5% CO2. Compounds (100 nl) were dispensed into wells containing the HEK-Blue TLR cells and the treated cells were incubated at 37° C., 5% CO2. After 18 h treatment ten microliters of freshly-prepared Quanti-Blue reagent (Invivogen) was added to each well, incubated for 30 min (37° C., 5% CO2) and SEAP levels measured using an Envision plate reader (OD=620 nm). The half maximal effective concentration values (EC50; compound concentration which induced a response halfway between the assay baseline and maximum) were calculated.
9707	2	IL-6 Induction assay	Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid handling technology (25 nL per well). Human whole-blood samples (25 uL) were added to each well using a CyBio FeliX liquid handling instrument. The plate was shaken on a plate shaker for three min before incubating the reaction mixtures at 37° C. for 20 h. Basel RPMI 1640 medium (supplemented with L-glutamine) was then added to each well (25 uL per well) prior to liberating plasma from each sample by centrifugation (450×g, 5 min, ambient temperature). Treated plasma samples (3 uL) were subsequently transferred to individual wells of a white, shallow, 384-well ProxiPlate (Perkin Elmer) using the FeliX liquid handling instrument and their interleukin 6 levels were measured using AlphaLISA technology as described by the manufacturer, PerkinElmer. Data analyses software was used to determine compound EC50 values where the baseline was established using average DMSO values and 100% induction established using reference compound values at the highest concentration tested. EC50&#39;s can be determined with software such as Graphpad Prism.
9708	1	EGFR Activity Inhibition Assay	In the case of Km ATP, EGFR T790M/L858R protein kinase activity was tested by Caliper mobility shift assay (referring to J Biomol Screen 14:31, 2009).Assay method: the compound to be tested was dissolved in DMSO and then diluted with a kinase buffer solution (50 mM HEPES-pH7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT). 5 &#956;l of 10% DMSO with 5-fold final reaction concentration of the compound dissolved was added into a 384-well plate, a control well without the compound was added 5 &#956;l of 10% DMSO, and a control well without kinase activity was added 5 &#956;l of the kinase buffer solution. After adding 10 &#956;l of 2.5-fold diluted EGFR (Cama, Cat. No 08-115, Lot. 13-CBS-0005M) kinase solution, the incubation was performed for 10 minutes at room temperature, and 10 &#956;l of 2.5-fold diluted substrate solution Peptide FAM-P22 (GL Biochem, Cat. No. 112393, Lot. No. P130408-ZB112393) was further added. After being incubated for 60 minutes at 28° C., 25 &#956;l of stopping solution (100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 m MEDTA) was added to terminate the reaction. The conversion ratio data was read on Caliper EZ Reader II (Caliper Life Sciences). The conversion ratio was converted to the inhibition ratio data.A curve was plotted with the concentration of the compound and the inhibition ratio as the abscissa and ordinate values. XLFit excel add-in version 4.3.1 software was used to fit the curve and calculate IC50. Inhibition ratio %=(max-conversion ratio)/(max-min)×100, wherein max refers to the conversion ratio of the control well in which the compound is absent in DMSO and min refers to the conversion ratio of the control well without kinase activity.
9708	2	Tec, Txk, and ITK Activities Inhibition Assay	The inhibitory activities of the compound to Tec, Txk, and ITK of human were performed by Eurofins Pharma Discovery Services UK Limited (UK) of the United Kingdom. In the case of Km ATP, the radioactive protein kinase method was adopted by the test. The kinase was diluted with buffer solution (20 mM MOPS, 1 mM EDTA, 0.01% Brij-35, 5% Glycerol, 0.1% 6-mercaptoethanol, 1 mg/mL BSA) before the reaction. The compound was dissolved in 100% DMSO and was of 50-fold final reaction concentration.ITK reaction solution included 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM magnesium acetate, and [&#947;-33P]-ATP (about 500 cpm/pmol), 200 &#956;M ATP-Mg was added, after mixing, the reaction was started, the incubation was performed for 40 minutes at room temperature, and 3% phosphoric acid solution was added to terminate the reaction. 10 &#956;l (reaction solution) was placed on P30 filtration membrane, washed with 75 mM phosphoric acid for 5 minutes, and dried with methanol for one time, and then scintillation counting was performed.Active type Tex reaction solution contained 8 mM MOPS pH 7.0, 0.2 mM EDTA, 1 mM Na3VO4, 5 mM Na-6-phosphoglycerol, 400 &#956;M EFPIYDFLPAKKK, 10 mM magnesium acetate, and [&#947;-33P]-ATP (about 500 cpm/pmol), 120 &#956;M ATP-Mg was added, after mixing, the reaction was started, the incubation was performed for 40 minutes at room temperature, and 3% phosphoric acid solution was added to terminate the reaction. 10 &#956;l (reaction solution) was placed on P30 filtration membrane, washed with 75 mM phosphoric acid for 5 minutes, and dried with methanol for one time, and then scintillation counting was performed.TxK reaction solution contained 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M GEEPLYWSFPAKKK, 10 mM magnesium acetate, and [&#947;-33P]-ATP (about 500 cpm/pmol), 200 &#956;M ATP-Mg was added, after mixing, the reaction was started, the incubation was performed for 40 minutes at room temperature, and 3% phosphoric acid solution was added to terminate the reaction, 10 &#956;l (reaction solution) was placed on P30 filtration membrane, washed with 75 mM phosphoric acid for 5 minutes, and dried with methanol for one time, and then scintillation counting was performed.
9708	3	BTK Kinase Activity inhibition Assay	Activity of BTK protein kinase was tested by Caliper mobility shift assay (referring to J Biomol Screen 14:31, 2009). The compound of the present disclosure was dissolved in DMSO and then diluted 10-fold with kinase buffer solution (50 mM HEPES-pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT). 5 &#956;l of 10% DMSO with 5-fold final reaction concentration of the compound dissolved was added into a 384-well plate, and a control well without the compound and a control well without kinase activity were respectively added 5 &#956;l of 10% DMSO. 10 &#956;l of BTK kinase solution (BTK, Cat. No. 08-080, Carna) with 2.5-fold final reaction concentration was added and mixed with the compound and then incubated for 10 minutes at room temperature, wherein the control well without kinase activity was added 10 &#956;l of kinase buffer solution. 10 &#956;l of a substrate solution of a substrate FAM-labeled SRCtide peptide (Biochem, Cat. No. 112394) and ATP (90 &#956;M) with 2.5-fold final reaction concentration was further added to start the reaction. Then incubation was performed for 10 minutes at room temperature. After incubation for 1 hour 28° C., 25 &#956;l of stopping solution (100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA) was added to terminate the reaction. The conversion ratio data was read on Caliper EZ Reader II (Caliper Life Sciences). The inhibition ratio was calculated and the calculation formula is: inhibition ratio %=(max-conversion)/(max-min)×100 %.
9709	1	In Vitro c-Met Kinase Enzyme Assays	The compounds of the invention were screened in vitro for their ability to inhibit c-Met kinase activity. The IC50 values for the inhibition of c-Met kinase were determined as described in the literature with some modifications (Wang, X. et al, Mol. Cancer Ther. 2003, 2(11):1085-1092; Calic, M. et al., Croatica Chemical ACTA. 2005, 78(3):367-374). Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, #PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, #P0275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, #DY990). The reaction was carried out in a 50 &#956;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &#956;M Na3VO4, 5 &#956;M ATP (Cell Signaling Technology, #9804) and serial dilutions of the test compound. The reaction lasted for 25 minutes at 30° C. After the reaction was completed, the contents of the plates were discarded. Plates were then washed with TBS-T (250 &#956;L/well, 5×) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &#956;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody (Sigma, #A5964) diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour. Plates were washed with TBS-T (250 &#956;L/well, 5×) and followed by the color reaction using 100 &#956;L (1:1 mixture) of H2O2 and tetramethylbenzidine (R&D Systems, #DY999). The reaction was stopped in minutes with 100 &#956;L of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm. IC50 values were calculated with the GraphPad Prism software. The linear range (i.e., the time period over which the rate remained equivalent to the initial rate) was determined for the kinase and IC50 determinations were performed within this range.
9710	1	Reporter Displacement Assay	HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8.0, 1 mM DTT, 150 mM NaCl, and 0.01% Tween20. Components are pre-incubated for 30 min, then a small volume of reporter probe (Proteros) is added from a highly concentrated stock and incubation is continued for another 30 min. Final concentrations after adding the reporter probe amount to 20 nM HDAC2, 4 nM antibody, and 180 nM probe.Ten &#956;l/well of pre-formed complex are transferred into 384 well assay plates (Corning). Compounds to be profiled are serially diluted from 1×101-5.7×105 mM in DMSO and 60 nl are added to assay plates by pintool transfer (CybiWell, Cybio). Fluorescence intensity signal is read after 4 hours in a Pherastar FS (BMG Labtech) at 337/665 nm.For Kd determination, percent probe displacement values are calculated for each compound concentration and plotted against the compound concentration. IC50-like values (corresponding to 50% probe displacement) are calculated using standard fitting algorithms. Since the reporter probe is used at a concentration reflecting its own Kd value, compound Kd values can be calculated according to the Cheng Prusoff equation.
9711	1	RBC Kinase Assay Protocol	Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO were used for the assay.Myelin base protein (MPB) was prepared in freshly prepared Base Reaction Buffer. 20 ng of ASK1 kinase was delivered into the substrate solution and gently mixed. Compounds in DMSO were delivered into the kinase reaction mixture (final DMSO concentration 1%). Commercially available 33P-ATP was delivered into the reaction mixture to initiate the reaction. The kinase reaction was incubated for 120 min. at room temperature. Reactions were spotted onto P81 ion exchange paper (Whatman #3698-915). Filters were washed extensively in 0.75% Phosphoric acid. Radioactivity on filters was read, and IC50 values were determined.
9712	1	Mdm2-p53 Inhibition AlphaScreen	This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (PerkinElmer). A mix consisting of 20 nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated p53-peptide and GST-MDM2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations. Furthermore, a positive control (5% DMSO instead of test compound; with protein/peptide mix) is pipetted. Determination of IC50 values are carried out using GraphPad Prism 3.03 software (or updates thereof).
9713	1	PI3-Kinase HTRF Assay	A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation is used to screen compounds provided herein. This assay uses specific, high affinity binding of the GRP1 pleckstrin homology (PH) domain to PIP3, the product of a Class 1A or 1B PI3 Kinase acting on its physiological substrate PIP2. During the detection phase of the assay, a complex is generated between the GST-tagged PH domain and biotinylated short chain PIP3. The biotinylated PIP3 and the GST-tagged PH domain recruited fluorophores (Streptavidin-Allophycocyanin and Europium-labeled anti-GST respectively) to form the fluorescence resonance energy transfer (FRET) architecture, generating a stable time-resolved FRET signal. The FRET complex is disrupted in a competitive manner by non-biotinylated PIP3, a product formed in the PI3 Kinase assay.PI3 Kinase &#945;, &#947; or &#948; activity is assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore Corporation. Purified recombinant PI3K&#945; (catalogue No. 14-602-K), PI3K&#946; (catalogue No. 14-603-K), PI3K&#947; (catalogue No. 14-558-K), and PI3K&#948; (catalogue No. 14-604-K) are obtained from Millipore Corporation. Purified recombinant PI3K enzyme is used to catalyze the phosphorylation of phosphatidylinositol 4,5-bisphosphate (PIP2 at 10 &#956;M) to phosphatidylinositol 3,4,5-trisphosphate (PIP3) in the presence of 10 &#956;M ATP. The assay is carried out in 384-well format and detected using a Perkin Elmer EnVision Xcite Multilabel Reader. Emission ratios are converted into percent inhibitions and imported into GraphPad Prism software. The concentration necessary to achieve inhibition of enzyme activity by 50% (IC50) is calculated using concentrations ranging from 20 &#956;M to 0.1 nM (12-point curve). IC50 values are determined using a nonlinear regression model available in GraphPad Prism 5.
9714	1	Ligand-Displacement Binding	Twenty-four hours after adenoviral infection with human &#946;2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing EGTA [5 mM], and homogenized with 15 strokes on ice. Samples were centrifuged at 30,000×g for 15 minutes to pellet membranes. Membranes were resuspended in binding buffer, Tris-HCl [20 mM, pH 7.4] containing NaCl (120 mM), KCl (5.4 mM), CaCl2 (1.8 mM), MgCl2 (0.8 mM), and glucose (5 mM) and stored in aliquots at &#8722;80° C. Binding assays were performed on 5-10 &#956;g of membrane protein using saturating amounts (1-300 pM) of the &#946;-AR-specific ligand [125I]cyanopindolol (ICYP). For competition binding, the 5-10 &#956;g of membrane protein were pretreated with 50 &#956;M of GTP&#947;s (non-hydrolyzable guanosine triphosphate) and then incubated with 125ICYP (50 pM) and different concentrations of fenoterol or its isomers in a total volume of 250 &#956;L. Nonspecific binding was determined in the presence of 20 &#956;M propranolol. Reactions were conducted in 250 &#956;L of binding buffer at 37° C. for 1 hour. The binding reaction was terminated by addition of ice-cold Tris-HCl [10 mM, pH 7.4] to the membrane suspension, followed by rapid vacuum filtration through glass-fiber filters (Whatman GF/C). Each filter was washed three times with an additional 7 mL of ice-cold Tris-HCl [10 mM, pH 7.4]. The radioactivity of the wet filters was determined in a gamma counter. All assays were performed in duplicate, and receptor density was normalized to milligrams of membrane protein. Kd and the maximal number of binding sites (Bmax) for ICYP were determined by Scatchard analysis of saturation binding isotherms. 
9715	1	Alpha-assay	The binding activity of lead compounds with the BRD4 site 1 was determined by Alpha-assay with a 12-point dose response curve
9715	2	Alpha-assay	The binding activity of lead compounds with the BRD4 site 2 was determined by Alpha-assay with a 12-point dose response curve
9716	1	Florescence Polarization Assay	Assay was performed in 96-well format in black, flat bottom plates (Santa Cruz Biotechnology) with a final volume of 100 &#956;L. 25 &#956;L of assay buffer (20 mM HEPES, pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 2 mM DTT, 0.1 mg/mL BGG, and 0.01% NP-40) containing 6 nM FITC-GDA (fluorescent tracer, stock in DMSO and diluted in assay buffer) and 50 &#956;L of assay buffer containing 10 nM of either Grp94 or Hsp90&#945; were added to each well. Compounds were tested in triplicate wells (1% DMSO final concentration). For each plate, wells containing buffer only (background), tracer in buffer only (low polarization control), and protein and tracer in buffer with 1% DMSO (highpolarization control) were included. Plates were incubated at 4° C. with rocking for 24 h. Polarization values (in mP units) was measured at 37° C. with an excitation filter at 485 nm and an emission filter at 528 nm. Polarization values were correlated to % tracer bound and compound concentrations. The concentration at which the tracer was 50% displaced by the inhibitor was determined using Graphpad Prism.
9717	1	Pharmacological Assay	Measurement was carried out using TrkA LanthaScreen (registered trademark) Eu Kinase Binding Assay (ThermoFisher SCIENTIFIC). To a 384 well plate (Corning), 2.5 &#956;L of the test compound having various concentrations and diluted with Kinase buffer (ThermoFisher SCIENTIFIC) and 2.5 &#956;L of 15 nM TrkA enzyme (ThermoFisher SCIENTIFIC) were added. Moreover, 5 &#956;L of 3 nM Eu-anti-His Tag antibody (ThermoFisher SCIENTIFIC) and 5 &#956;L of 30 nM Kinase (registered trademark) Tracer 236 (ThermoFisher SCIENTIFIC) were added, followed by reaction at room temperature for 60 minutes. After the reaction, the fluorescence intensity of Europium (Emission wavelength 615 nm) and TR-FRET (Emission wavelength 665 nm) with an excitation wavelength of 340 nm were measured with EnVision 2100 (PerkinElmer) to calculate the fluorescence ratio as the amount of the test compound and the TrkA enzyme bonded. The inhibitory activity (IC50 value) of each test compound was calculated with the fluorescence ratio of the well to which a solvent was added instead of the test compound being 0% and the fluorescence ratio of the well without addition of the TrkA protein being 100%.
9718	1	Enzyme Assay	HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 &#956;M delta aminolevulinic acid for 48 h at 16° C. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 &#956;M methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDO1 concentration of 40 nM. IDO1 solution (30 &#956;M) or buffer alone (30 &#956;M) were dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at RT for 30 min. Afterwards, 10 &#956;L of 400 &#956;M tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at RT for 60 min and reactions were quenched by addition of 10 &#956;L of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37° C. for 4 h or 50° C. for 2 h. The plates are allowed to cool and then centrifuged for 1 min at 1000×g. The resulting fluoresence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.
9719	1	In Vitro Competitive Activity-Based Protein Profiling	Proteomes (mouse brain membrane fraction for mouse assays; human prefrontal cortex membrane fractions for human assays) (50 mL, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh (1.0 mL, 50 mM in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL and FAAH using ImageJ 1.43u software. IC50 data from this assay is shown in Table 1. All compounds in Table 1 were more potent inhibitors of MAGL than FAAH.
9720	1	Radioactive Filter Binding Assay	The principal method utilized is a radioactive filter binding assay using 33P ATP This method is sensitive, accurate and provides a direct measure of activity.1. The compounds were diluted to the appropriate concentration2. The compounds were added to a mother plate consisting of samples, controls and blanks. These serve as the source for daughter plates which are stored at &#8722;20° C. until assay initiation3. Protein Kinases: Enzyme/Substrate mixture was added to the compound, and the compounds were incubated for five minutes at Room Temperature (RT).4. 33P ATP was added to the compounds in order to initiate the assay.5. Orthophosphoric acid was added to the compounds in order to halt the assay.6. Assay components were harvested onto P81 filter plates, filter plates were air-dried, scintillation fluid was added to plates, and counts were read on a Topcount NXT. A mean percentage activity was calculated.
9721	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
9722	1	Kinase Assay	Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief, for each reaction, kinase and substrate were mixed in a buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. All compounds were solubilized in DMSO. Compounds were then added to each reaction mixture via acoustic dispense using an ECHO 550 nanoliter dispenser. For human RAF1 testing, human MEK1 (K97R) was used as a substrate at a concentration of 3 micromolar, with a final ATP concentration of 10 micromolar. For human BRAF testing, human MEK1 (K97R) was used as a substrate at 1 micromolar concentration, with a final ATP concentration of 25 micromolar. Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution starting at 10 micromolar. After a 20-min incubation, ATP (Sigma-Aldrich, St. Louis, Mo. 63178) and [g33P] ATP (specific activity 10 microCi/microliter) purchased at PerkinElmer (Boston, Mass., 02118 Cat #BLU 003H250UC) were added at a final total concentration of 10 mM. Reactions were carried out at room temperature for 2 hr and spotted onto P81 ionexchange cellulose chromatography paper (Reaction Biology). Filter paper was washed in 0.75% phosphoric acid to remove unincorporated ATP. The percent remaining kinase activity relative to a vehicle-containing (DMSO) kinase reaction was calculated for each kinase/inhibitor pair. 
9723	1	Biological Activity Assay	For the measurement of CDK2/cyclinE activity, enzyme (0.22 nM) was incubated with 100 mM ATP and the phosphoacceptor substrate peptide (1 mM) for one hour. For the measurement of CDK4/CyclinD activity, enzyme (0.85 nM) was incubated with 200 mM ATP and the phosphoacceptor substrate peptide (1 mM) for three hours. Potential inhibitor compounds (as HCl salts) were tested using 12-point dose response curves in single point at the Km for ATP. The IC50 of each compound was determined using GraphPad Prism. Results from the IC50 values demonstrate 200 and 100 fold selectivity for compounds Compound 1 and Compound 3 for Cdk4/CycD1 over Cdk2/CycE respectively. 
9724	1	Homogeneous Time-Resolved Fluorescence Assay	Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in assay buffer (PBS containing 1 mM IBMX) before a volume of 2.5 &#956;L was added to the cells (the final, top concentration of compound in the dose-response is typically 10 or 100 &#956;M). After a brief incubation, 2.5 &#956;L of isoproterenol stock, prepared at a concentration 4 times its EC90 at the receptor of interest, was added to the wells. The EC90 for isoproterenol, a beta-adrenergic agonist, was determined in separate experiments using standard methods to measure agonist potencies.Following a 1-hour incubation at room temperature, 5 &#956;L of cAMP-D2 Reagent diluted in Lysis Buffer was added to each well followed by 5 &#956;L of Cryptate Reagent. Plates were further incubated at room temperature for 1 hour prior to reading. Time resolved fluorescence measurements were collected on a suitable, HTRF-capable plate reader.
9725	1	Human Sigma-1 Receptor Radioligand Assay	To investigate binding properties of test compounds to human Sigma-1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to Multiscreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail.
9726	1	kinetic assay	Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at different concentrations for 15 minutes while shaking. The reaction is initiated by the addition of a 50 &#956;M FRET substrate (Dabcyl-KTSAVLQ&#8595;SGFRKM-E(Edans-NH2); GL Biochem) in reaction buffer. Cleavage of the substrate generates a free Edans group. Fluorescence is monitored at an excitation wavelength of 360nm and an emission wavelength of 460nm. Baseline subtraction was performed to control for intrinsic fluorescence of each compound. All experiments were performed in triplicate.
9726	2	replicon assay	These include a rapid screening replicon assay using baby hamster kidney (BHK) cells with noninfectious SARS-CoV-2, in which the spike protein in the viral genome is replaced with a nanoluciferase reporter, allowing the ability to multiplex in 96-well plates and assess inhibition of viral replication in 24 h. In parallel, the compound general cytotoxicity in either Vero E6 cells or normal human bronchial epithelial (NHBE) cells can be assessed using 3-(4,5- dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT)8,28 or alamarBlue dyes as readouts.
9726	3	infectious virus assay	These assays are from various references.
9727	1	Enzymatic Inhibition of UAWJ9-36-1 and UAWJ9-36-3 against the Mpro's from Seven Human Coronaviruses	Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progression curves of the following: SARS-CoV-2 Mpro in the presence of GC-376 (A), UAWJ9-36-1 (B), and UAWJ9-36-3 (C); SARS-CoV Mpro in the presence of GC-376 (D), UAWJ9-36-1 (E), and UAWJ9-36-3 (F); MERS-CoV Mpro in the presence of GC-376 (G), UAWJ9-36-1 (H), and UAWJ9-36-3 (I). Dose-response curves of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro from SARS-CoV-2 (J), SARS-CoV (K), MERS-CoV (L), HCoV-229E (M), HCoV-OC43 (N), HCoV-NL63 (O), and HCoV-HKU1 (P). Ratios of k2 (second rate constant) over KI (equilibrium dissociation constant) from kinetic studies and IC50 values from the dose-response curves are listed in the table at the bottom. Data are mean ± standard deviation of three replicates.
9727	2	immunofluorescence assay of Vero E6	The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Vero E6.
9727	3	immunofluorescence assay of Caco2-ACE2 cells	The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Caco2-ACE2 cells.
9727	4	immunofluorescence assay of Vero E6 plus 2uM CP-100356	The analyses of antiviral activities of UAWJ9-36-1 (A, C) and UAWJ9-36-3 (B, D) against SARS-CoV-2 in immunofluorescence assay was carried out in Vero E6 plus 2uM CP-100356.
9727	5	CPE assay of Huh-7 cells	CPE assay was carried out in Huh-7 cells in the presence or absence of P-glycoprotein inhibitor CP-100356.
9728	1	Enzyme Inhibition Assay and Ki Values Determination	To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold dilutions) and hydrolysis of 15 µM fluorescent peptide was monitored. Initial hydrolysis rates of fluorescent peptide were plotted as a function of compound concentrations and Ki values were obtained by fitting the data into the Morrison equation (42) with SE from triplicates. The Michealis Menten constant of enzyme (Km) value used for Ki calculations is 17 µM.
9728	2	RTCA Assay for Evaluating In Vitro Inhibition of SARS-CoV-2 Replication by Mpro Inhibitors	Inhibition of SARS-CoV-2 replication in VERO E6 and HEK hACE2 cells was measured using an xCELLigence RTCA HT Analyzer (Agilent Technologies), tracking the virus-induced cytopathic effect (CPE) on the cellular growth kinetics. Applied methods were similar to those recently described elsewhere. After a background reading of the 96-well E-plate using 50 &#956;L only of media, 1 × 104 cells were seeded in each well, using 100 &#956;L of culture media (VERO E6 cells: DMEM + 1× penicillin/streptomycin + 10% FBS or HEK-hACE2 cells: DMEM + 1× penicillin/streptomycin + 10% FBS + 10 mM Hepes). The E-plate was incubated for 30 min at RT to minimize edging effects. After the cells settled, the E-plate was transferred to an xCELLigence instrument for real-time analysis of cell proliferation for 24 h. Drug candidates dissolved in DMSO were twofold serially diluted in cell culture media in a 96-deep-well plate. Drug samples were prepared in duplicate and DMSO was included as buffer control. An equal volume of cell culture media containing SARS-CoV-2 (USA_WA1/2020 isolate) was added to the drugs. Final concentrations of small drug tested ranged from 0.2 &#956;M to 50 &#956;M, and wells containing virus only or cell culture media only were added as controls. The plate was incubated for 1 h at 37 °C in 5% CO2. After the incubation, the E-plate was removed from the xCELLigence instrument and the cell culture media in the E-plate was replaced by 250 &#956;L of the drugs candidates/virus mixture from the deep-well plate. The E-plate was then transferred back to the xCeLLigence instrument and real-time analysis of the CPE was continued for an additional 75 h. Data were analyzed using the RTCA software (Agilent Technologies). Duplicate wells were averaged, and the cell index was normalized to the last measured time point before the addition of the drugs/virus mixture Using Prism9 software (GraphPad) the normalized cell index data were plotted versus time, and the IC50 of each drug candidate was calculated.
9729	1	Kinase Assay	Btk and Other Kinases: Btk kinase activity was determined using a homogenous time resolved fluorescence (HTRF) methodology. Measurements were performed in a reaction volume of 15 &#956;L using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 &#956;M peptide substrate were incubated in a reaction buffer compose of Hepes50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of E&#956;-labeled antibody and XL-665 in 1×Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (2Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls were used to determine baseline fluorescence levels. 
9730	1	Inhibition Assay	The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS 1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1 and SEQ ID NO: 2, respectively, in order of appearance). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat #ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
9731	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
9732	1	Fluorescence Polarization Assay	Human PDE9 (PDE9A2, GenBank Accession No. NM_001001567), full length with N-terminal GST tag, was purchased from BPS Bioscience. The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyvale, Calif. (product #R8139). IMAP technology has been applied previously to phosphodiesterase assays. Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 &#956;L of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 
9733	1	Enzyme Activity Assay	Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Btk enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Btk enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well is of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in Btk IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
9733	2	Enzyme Activity Assay	Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.4 U/mL Lck enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and Lck enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 24 &#956;M ATP in KR-buffer (final ATP concentration is 6 &#956;M ATP, Km ATP in Lck IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
9733	3	Enzyme Activity Assay	Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.8 U/mL Src enzyme (final concentration in the assay is 0.2 U/mL). Test compounds and Src enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 16 &#956;M ATP in KR-buffer (final ATP concentration is 4 &#956;M ATP, Km ATP in Src IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room is temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
9733	4	Enzyme Activity Assay	FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme (Biomol catalog #SE-287), is diluted to 0.5 &#956;g/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 0.5 &#956;g/mL FynT enzyme (final concentration in the assay is 125 ng/mL). Test compounds and FynT enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (p34cdc2 substrate peptide, e.g. #R7157/#R7172, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 0.8 &#956;M ATP in KR-buffer (final ATP concentration is 0.2 &#956;M ATP, Km ATP in FynT IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP.
9733	5	Enzyme Activity Assay	Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilution log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer of which 5 &#956;l is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;l/well of 250 mU/mL Lyn enzyme (final concentration in the assay is 62.5 mU/mL). Test compounds and Lyn enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 400 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 100 nM. The kinase assay is started by adding 5 &#956;L/well of 8 &#956;M ATP in KR-buffer (final ATP concentration is 2 &#956;M ATP, Km ATP in Lyn IMAP assay). Following incubation for 2 h at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
9734	1	Kinase Assay	DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 M to 0.00016 M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9734	2	Kinase Assay	GSK3&#946;: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 M to 0.0003 M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
9735	1	Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 is monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions re performed at room temperature in 96-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 50 &#956;l and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA 0.005% Brij-35, 5 mM DTT.
9736	1	Binding Assay	ERR&#947;: The arylethene derivative of the present invention was sequentially added to a 384 well plate from a concentration of 10 &#956;M to a final concentration of two-fold dilution. Then, a GST-bound ERR gamma ligand-binding domain (LBD) was added to a final concentration of 5 nM, and a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 500 nM and 5 nM, respectively. After all reagents were added, a reaction was carried out with gentle shaking at 20° C. for 1 hour, and after the reaction, a binding activity was measured by a TR-FRET method. That is, excitation at 340 nm was performed, each emission value at 495 nm and 520 nm was measured, the result assay was a value measured at 490 nm/a value measured at 520 nm, and an analysis program was Prism 6.
9736	2	Binding Assay	ERR&#945;/ERR&#946;/ER&#945; : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.
9737	1	Kinase Assay	Activated ERK1 and ERK2 activity was determined in a Mobility Shift Assay (MSA) format as follows: Compound and kinase solution were prepared with assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM DTT, pH7.5) and mixed and incubated in for 30 mins at rt. ERK1 & ERK2 were then activated by the addition of F1-Substrate, ATP and metal solution and incubated for 1 h at rt. After 1 h, the reaction was terminated by the addition of 70 mL of Termination Buffer (QuickScout Screening Assist MSA; Carna Biosciences) to the well. The reaction mixture was applied to LabChip system (PerkinElmer), and the product and substrate peptide peaks were separated, analyzed and quantitated. The kinase reaction is evaluated by the product ratio calculated from peak heights of product (P) and substrate(S) peptides (P/(P+S)).
9738	1	Enzymatic Assay	For the SHMT1 and SHMT2 in vitro enzymatic assays, the rate of 5,10-methylene tetrahydrofolate formation catalyzed by SHMT1/2 was indirectly evaluated by coupling with excess MTHFD2, which converts NAD+ to NADH allowing for reaction monitoring by absorption at 340 nm. The reaction was started by addition of serine (1 mM final) to either human SHMT1 or human SHMT2 (2 mcg/mL), and human MTHFD2 (25 mcg/mL) in a buffer of 50 mM potassium phosphate (pH 7.4), 0.3 mM tetrahydrofolate, 7.5 mM dithiothreitol, 1.25 mM NAD+, and 4% DMSO. Inhibition of initial reaction velocity was determined by adding various inhibitors at different concentrations and monitored as described. IC50 may be calculated based on this assay.For the MTHFD2 in vitro assay, the rate of NADH formation is directly monitored at 340 nm. The reaction is started by addition of 0.125 uM (final) of 5,10 methylene tetrahydrofolate to MTHFD2 (2.5 mcg/mL), 50 mM potassium phosphate (pH 7.4), 7.5 mM dithiothreitol, 1.25 mM NAD+, and 4% DMSO.
9739	1	Kinase Lanthascreen Binding Assay	A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent labeled tracer. UP-BTK, consisting of the kinase domain of non-phosphorylated BTK protein (389-659aa), was produced in a Baculovirus/insect cell expression system. Into a 384-well plate, 2 ng of GST-tagged human BTK (389-659aa) was incubated with compound, 50 nM of Tracer 236 and 2 nM anti-GST antibody for 60 minutes using an optimized Lanthascreen assay. After 60 minutes, plates were read at 340 nM and 615/665 nM in an Infinite F500 (Tecan).
9740	1	Binding Domain Inhibition Assay	Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as a His-tagged protein. Purified His-KRas G12D protein was diluted in buffer-I to a final concentration of 3-10 &#956;g/ml. 200 &#956;l of the diluted His-KRas G12D protein was added to a nickel coated 96 well plate and incubated overnight at 4° C. The next day, wells were washed 3× in 200 &#956;l of Buffer-I. Then 200 &#956;l of Buffer-I were added to each well in the presence of 1% DMSO. Tested compounds were added to the protein-coated wells at a concentration of 20 &#956;M, and incubated for 3 hours at room temperature. While performing IC50 measurements a serial dilution of all tested concentrations was prepared.Then 22 &#956;l of Cy3-GTP or Cy5-GTP was added to each well. The labeled GTP was incubated for 45 min. at room temperature. 
9741	3	Enzyme Inhibition	c-Src and Syk: The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described hereinabove. The relevant enzyme (3000 ng/mL or 2000 ng/mL respectively, 2.5 &#956;L) is incubated with the test compound (either 1 &#956;g/mL, 0.1 &#956;g/mL, 0.01 &#956;g/mL, or 0.001 &#956;g/mL, 2.5 &#956;L each) for 2 hr at RT. The FRET peptides (8 &#956;M, 2.5 &#956;L), and appropriate ATP solutions (2.5 &#956;L, 800 &#956;M for c-Src, and 60 &#956;M ATP for Syk) are then added to the enzymes/compound mixtures and the mixture incubated for 1 hr. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
9741	1	Enzyme Inhibition	p38 MAPK&#945; Method 1: The inhibitory activities of test compounds against the p38 MAPK&#945; isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level of activation/phosphorylation of the down-stream molecule, MAPKAP-K2. The p38 MAPK&#945; protein (80 ng/mL, 2.5 &#956;L) is mixed with the test compound (2.5 &#956;L of either 4 &#956;g/mL, 0.4 &#956;g/mL, 0.04 &#956;g/mL or 0.004 &#956;g/mL) for 2 hr at RT. The mix solution (2.5 &#956;L) of the p38u inactive target MAPKAP-K2 (Invitrogen, 600 ng/mL) and FRET peptide (8 &#956;M; a phosphorylation target for MAPKAP-K2) is then added, then the kinase reaction is initiated by adding ATP (40 &#956;M, 2.5 &#956;L). The mixture is incubated for 1 hr at RT. Development reagent (protease, 5 &#956;L) is added for 1 hr prior to detection in a fluorescence microplate reader (Varioskan Flash, ThermoFisher Scientific).
9742	1	In Vitro Activity Assay	1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.2) Experimental method: The specific method can be referred to Cisbio&#39;s PD-1/PD-L1 Kit (item 64CUS000C-2). Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 &#956;l of diluent or target compound diluted with diluent was added to each well, and then 4 &#956;l of PD-1 protein and 4 &#956;l of PD-L1 protein were added per well, incubated for 15 min at room temperature; and 10 &#956;l of a mixture of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h to 4 h at room temperature and the fluorescence signals at 665 nm and 620 nm were measured with an Envison instrument. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
9743	1	Binding Assay	Human &#945;2&#948;-1 enriched membranes (2.5 &#956;g) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH 10 mM, pH 7.4.NSB (non specific binding) was measured by adding 10 &#956;M pregabalin. The binding of the test compound was measured at five different concentrations. After 60 min incubation at 27° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, pH 7.4. Filter plates were dried at 60° C. for 1 h and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.Readings were performed in a Trilux 1450 Microbeta radioactive counter (Perkin Elmer).
9743	2	Binding Assay	Human norepinephrine transporter (NET) enriched membranes (5 &#956;g) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer containing 50 mM Tris-HCl, 120 mM NaCl, 5 mM KCl, pH 7.4.NSB (non specific binding) was measured by adding desipramine 10 &#956;M. The binding of the test compound was measured at five different concentrations. After 60 min incubation at 4° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, 0.9% NaCl, pH 7.4.Filter plates were dried at 60° C. for 1 h and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.
9744	1	High Throughput Inhibition Assay	A high throughput assay was developed to screen for fascin specific inhibitors. Purified polymerized F-actin with or without fascin were mixed and incubated to allow actin bundle formation. F-actin polymers were then bound to the poly-D-lysine coated plates. After extensive washes, F-actin polymers were visualized by labeling them with Alexa Fluor 488 phalloidin. Four images were taken from each well and the average fiber length was analyzed for each tested compound. 
9745	1	Binding Competition Assay	NK3: The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl2 1 mM/MgCl2 5 Mm/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments.
9745	2	Binding Competition Assay	NK1: The affinity of compounds of the invention for the NK1 receptor was evaluated in CHO recombinant cells which express the human NK1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat #NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnC12/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments
9745	3	Binding Competition Assay	NK2: The affinity of compounds of the invention for the NK2 receptor was evaluated in CHO recombinant cells which express the human NK2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat #NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments .
9746	1	In Vitro Enzyme Inhibition Assay	Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Life Technologies). In a 384-well ProxiPlate BRD4(BD1) (2 nM final) was combined with peptide (15 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 min incubation at room temp, Alpha streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After 2 hr of equilibration, plates were read on an Envision instrument and the IC50 was calculated using a four parameter non-linear curve fit. 
9747	1	PI3-Kinase HTRF Assay	A PI3-Kinase HTRF assay kit (cat No. 33-016) purchased from Millipore Corporation is used to screen compounds provided herein. This assay uses specific, high affinity binding of the GRP1 pleckstrin homology (PH) domain to PIP3, the product of a Class 1A or 1B PI3 Kinase acting on its physiological substrate PIP2. During the detection phase of the assay, a complex is generated between the GST-tagged PH domain and biotinylated short chain PIP3. The biotinylated PIP3 and the GST-tagged PH domain recruited fluorophores (Streptavidin-Allophycocyanin and Europium-labeled anti-GST respectively) to form the fluorescence resonance energy transfer (FRET) architecture, generating a stable time-resolved FRET signal. The FRET complex is disrupted in a competitive manner by non-biotinylated PIP3, a product formed in the PI3 Kinase assay.PI3 Kinase &#945;, &#946;, &#947; or &#948; activity is assayed using the PI3 Kinase HTRF , assay kit (catalogue No. 33-016) purchased from Millipore Corporation. Purified recombinant PI3K&#945; (catalogue No. 14-602-K), PI3K&#946; (catalogue No. 14-603-K), PI3K&#947; (catalogue No. 14-558-K), and PI3K&#948; (catalogue No. 14-604-K) are obtained from Millipore Corporation. Purified recombinant PI3K enzyme is used to catalyze the phosphorylation of phosphatidylinositol 4,5-bisphosphate (PIP2 at 10 &#956;M) to phosphatidylinositol 3,4,5-trisphosphate (PIP3) in the presence of 10 &#956;M ATP. The assay is carried out in 384-well format and detected using a Perkin Elmer EnVision Xcite Multilabel Reader. Emission ratios are converted into percent inhibitions and imported into GraphPad Prism software. The concentration necessary to achieve inhibition of enzyme activity by 50% (IC50) is calculated using concentrations ranging from 20 &#956;M to 0.1 nM (12-point curve), IC50 values are determined using a nonlinear regression model available in GraphPad Prism 5.
9748	1	ligand sensing assay (LiSA)	As used herein, reference to the activity of an LXR agonist at LXR&#945; and LXR&#946; refer to the activity as measured using the ligand sensing assay (LiSA) described in Spencer et al. Journal of Medicinal Chemistry 2001, 44, 886-897, incorporated herein by reference. 
9749	1	Assay for IDO1 Enzymatic Activity Determination	To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorbic acid (10 mM), methylene blue (5 &#956;M) and human recombinant IDO1 enzyme (prepared as described in Rohrig et al. J Med Chem, 2012, 55, 5270-5290; final concentration 5 &#956;g/mL) without or with the IDO1 inhibitory compounds provided herein at the indicated concentrations (total volume 112.5 &#956;L). The reaction was initiated by the addition of 37.5 &#956;L of L-Trp (final concentration 100 &#956;M) at room temperature. The reaction was conducted at room temperature during 15 minutes and stopped by the addition of 30 &#956;L of 30% (w/v) trichloroacetic acid.To convert N-formylkynurenine into kynurenine, the reaction mixture was incubated at 65° C. for 30 min. Then 120 &#956;L of 2.5% (w/v) 4-(dimethylamino)-benzaldehyde in acetic acid were added and the mixture incubated for 5 min at room temperature. Kynurenine concentrations were determined by measuring the absorbance at 480 nm. A standard curve was made with pure kynurenine. The IDO1 activity was measured as described above using ten serial concentrations of the IDO1 inhibitory compounds provided herein. Data were fitted using the Prism software (GraphPad Software, Inc.).
9750	1	In vitro degradation assay	In vitro degradation assay protocol for compounds 3-33: Panc02.13 cells were purchased from ATCC and cultured in RPMI-1640 (Gibco), supplemented with 15% FBS (ATCC) and 10 Units/mL human recombinant insulin (Gibco). PROTAC treatments were carried out in 12-well plates for 16 h. TLR3 agonist Poly I:C (Invivogen; tlr1-pic) was added for the final 3 h. Cells were harvested, and lysed in RIPA buffer (50 mM Tris pH8, 150 mM NaCl, 1% Tx-100, 0.1% SDS, 0.5% Sodium Deoxycholate) supplemented with protease and phosphatase inhibitors. Lysates were clarified at 16,000 g for 10 minutes, and supernatants were separated by SDS-PAGE. Immunoblotting was performed using standard protocols. The antibodies used were TBK1 (Cell Signaling#3504), pIRF3 (abcam#ab76493), and GAPDH (Cell Signaling#5174).
9751	1	in vitro transactivation assay	The in vitro transactivation assay determined the capacity of the compounds of the invention to activate the Nurr1:RXR heterodimers. Naive SHSY-5Y cells were transiently co-transfected, using Lipofectamine 2000 (Invitrogen), with a plasmid expressing the human receptor Nurr1, a plasmid expressing the RXR human receptor (RXR&#945; or RXR&#947; receptor) and a reporter plasmid DR5-TK-Luc. After 24 hours, the culture medium was changed. The test compounds were added (final concentration between 0.5, 2.5 and 12.5 &#956;M) in the culture medium. After incubation overnight, the expression of luciferase was measured (FIG. 1A). Positive control cells were treated with XCT0135908 (1 &#956;M; WO 2005/047268) which induces activation of the Nurr1:RXR heterodimer and results in maximal expression of luciferase.
9752	1	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
9752	3	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reaction is started by the addition of NADPH and &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear with respect for time for consumption of both cofactor and substrate. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 100× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.25 &#956;g/ml IDH2 R140Q protein. The test compound is then incubated for one hour at room temperature with the enzyme; before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 4 &#956;M NADPH and 1.6 mM &#945;-KG in the buffer described above. After a further 16 hours of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.For determination of the inhibitory potency of compounds against IDH2 R140Q in an assay format similar to the above, a similar procedure is performed, except that the final testing concentration is 0.25 &#956;g/ml IDH2 R140Q protein, 4 &#956;M NADPH and 1.6 mM &#945;-KG.For determination of the inhibitory potency of compounds against IDH2 R140Q in a high throughput screening format, a similar procedure is performed, except that 0.25 &#956;g/ml IDH2 R140Q protein is utilized in the preincubation step, and the reaction is started with the addition of 4 &#956;M NADPH and 8 &#956;M &#945;-KG.
9752	2	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	In the primary reaction, the reduction of &#945;-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH remaining at the end of the reaction time is measured in a secondary diaphorase/resazurin reaction in which the NADPH is consumed in a 1:1 molar ratio with the conversion of resazurin to the highly fluorescent resorufin. Uninhibited reactions exhibit a low fluorescence at the end of the assay, while reactions in which the consumption of NADPH by R132H IDH1 has been inhibited by a small molecule show a high fluorescence.The primary reaction is performed in a volume of 50 &#956;L 1× Buffer (150 mM NaCl, 20 mM Tris 7.5, 10 mM MgCl2, 0.05% (w/v) bovine serum albumin), contained 0.25 ug/mL (2.7 nM) IDH1 wt/IDH1 R132H heterodimer, 0.3 mM alpha-ketoglutarate, 4 &#956;M NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation), and 1 uL of 50× compound in DMSO. The mixture of compound, enzyme, and cofactor is pre-incubated at room temperature for 1 hr prior to the addition of alpha-ketoglutarate. To perform the secondary reaction, 10 uL of 1× buffer containing 36 &#956;g/ml diaphorase and 30 mM resazurin is added to the primary reaction and incubated for a further 5 minutes at 25° C. Florescence is read on a Spectramax platereader at Ex 544 Em 590. Compounds or compound dilutions are prepared in 100% DMSO concentration and diluted 1:50 into the final reaction. IDH1 wt/IDH1 R132C is assayed under similar conditions except that 1× Buffer is 50 mM K2HPO4, pH 6.5; 10 mM MgCl2; 10% glycerol; 0.03% (w/v) bovine serum albumin and final concentrations are 0.4 ug/mL (4.3 nM) IDH1 wt/IDH1 R132C heterodimer, 0.02 mM alpha-ketoglutarate, 4 uM NADPH, and either 300 &#956;M NADP (saturated) or 30 &#956;M NADP (without saturation). IC50s are determined.IDH1 or IDH2 wildtype (wt) and mutant heterodimers are expressed and purified by methods known in the art. For example, IDH1wt/R132m heterodimer is expressed and purified as follows. Co-expression of IDH1wt-his and IDH1R132C-flag is carried out in sf9 insect cells. Cells (25 g) are resuspended in 250 ml of 50 mM Tris, 500 mM NaCl, pH7.4, at 4° C. with stirring. Cells are disrupted with 4 passes through an M-Y110 Micro fluidizer (Microfluidics) set to 500 psi, and then centrifuged at 22,000 rcf for 20 min at 4° C. The supernatant is harvested and loaded at 15 cm/h on a Histrap FF 5*1 ml column (GE) which is equilibrated with 50 mM Tris, 500 mM NaCl, pH7.4. Host cell contaminants are removed by washing the column with equilibration buffer followed by equilibration buffer containing 20 mM imidazole and 60 mM imidazole to baseline. IDH1wt-his homodimer and IDH1wt-his/IDH1R132C-flag are eluted by equilibration buffer containing 250 mM imidazole. Fractions eluted by 250 mM imidazole are pooled together and loaded at 15 cm/h onto a column pre-packed with 10 ml ANTI-FLAG M2 Affinity Gel (Sigma), the column is equilibrated with 50 mM Tris, 500 mM NaCl, pH7.4. After washing with equilibration buffer, IDH1wt-his/IDH1R132C-flag heterodimer is eluted by equilibration buffer containing flag peptide (0.2 mg/ml). Aliquots of IDH1wt-his/IDH1R132C-flag are flash frozen in liquid N2 and stored at &#8722;80° C. Same conditions are used for the purification of IDH1wt-his/IDH1R132H-flag.
9752	4	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132H homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol) containing 5 &#956;M NADPH and 37.5 &#956;M NADP; 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 60 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: IDH1-R132C homodimer enzyme is diluted to 0.1875 &#956;g/ml in 40 &#956;l of Assay Buffer (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA) containing 5 uM NADPH and 28.75 uM NADP. The concentration of alpha-ketoglutarate in the Substrate Buffer is 1 mM.
9752	5	In Vitro Assays for IDH2m R140Q Inhibitors	Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme and cofactor, then the reaction is started by the addition of &#945;-KG, and allowed to proceed for 60 minutes under conditions previously demonstrated to be linear. The reaction is terminated by the addition of a second enzyme, diaphorase, and a corresponding substrate, resazurin. Diaphorase reduces resazurin to the highly fluorescent resorufin with the concomitant oxidation of NADPH to NADP, both halting the IDH2 reaction by depleting the available cofactor pool and facilitating quantitation of the amount of cofactor remaining after a specific time period through quantitative production of an easily detected fluorophore.Specifically, into each of 12 wells of a 384-well plate, 1 &#956;l of 50× compound dilution series is placed, followed by the addition of 40 &#956;l of buffer (50 mM potassium phosphate (K2HPO4), pH 7.5; 150 mM NaCl; 10 mM MgCl2, 10% glycerol, 0.05% bovine serum albumin, 2 mM beta-mercaptoethanol) containing 0.39 &#956;g/ml IDH2 R140Q protein, 5 uM NADPH and 750 uM NADP. The test compound is then incubated for 16 hrs at room temperature with the enzyme and cofactors before starting the IDH2 reaction with the addition of 10 &#956;l of substrate mix containing 8 mM &#945;-KG (final concentration 1.6 mM) in the buffer described above. After a further 1 hour of incubation at room temperature, the reaction is halted and the remaining NADPH measured through conversion of resazurin to resorufin by the addition of 25 &#956;l Stop Mix (36 &#956;g/ml diaphorase enzyme and 60 &#956;M resazurin; in buffer). After one minute of incubation the plate is read on a plate reader at Ex544/Em590.
9753	1	cAMP Gs dynamic HTRF assay	Compound preparation. Candidate beta-adrenergic compounds, dissolved to 10 mM in DMSO, were diluted in 1× stimulation buffer 1 (Cisbio Part #64SB1FDD) containing 1 mM 3-Isobutyl-1-methylxanthene (IBMX; Cayman Chemical Company, catalog #13347). Serial dilutions were made in a 96 well V-bottom polypropylene compound microplate (Corning, catalog #3363) in stimulation buffer containing 1 mM IBMX, to 2× of the final desired concentration. Standard serial dilution curves were 10-point, 5-fold dilutions starting from a highest concentration of 10 &#956;M. Controls present on every assay plate were 0.1% DMSO (vehicle control), 1 &#956;M isoproterenol (full beta-adrenergic agonist control) and 15 &#956;M xamoterol (partial beta-adrenergic agonist control). 5 &#956;L from the 2× compound plate was stamped into a white 384 round well small volume HiBase assay plate (Greiner Bio-One; catalog #784075) to provide 4 technical replicates per concentration, per compound. Assay plates were centrifuged at 500×g for 10 seconds. Compounds and IBMX were prepared at 2× final dose to compensate for addition of cells.Cell preparation. 1× stimulation buffer, washing PBS (Dulbecco&#39;s phosphate-buffered saline, &#8722;Mg &#8722;Ca; Caisson Labs, catalog #PBL01), assay PBS (Dulbecco&#39;s phosphate-buffered saline, +Mg, +Ca; Caisson Labs, catalog #PBL02) and Versene (0.02% EDTA disodium salt solution in PBS without calcium or magnesium; Caisson Labs, catalog #EDL01) were pre-warmed to 37° C. Cells expressing beta-adrenergic receptor were washed in washing PBS to remove growth medium and then released from the surface by incubating with Versene for 5-10 minutes at 37° C. Cells were harvested using assay PBS, counted manually by hemocytometer or by an automated cell counter, pelleted by centrifugation (200×g, 5 minutes) and resuspended in 37° C. 1× stimulation buffer to a final density of 1.5×10{circumflex over (&#8195;)}6 cells/mL. 5 &#956;L of the suspended cell solution (7500 cell total) were added to all wells of the 384 well assay plate, the assay plate was covered with an Axygen plate seal (Corning PCR-SP) and incubated in a humidified 37° C. environment supplemented with 5% CO2 for 30 minutes.HTRF reagent addition, reading and data analysis. After 30 minutes of cell stimulation with test compound, the assay plates were centrifuged at 500×g for 10 seconds, and incubation was stopped with the addition of 5 &#956;L cAMP-D2 acceptor, diluted 1:21 in detection and lysis buffer 2 (Cisbio 62CL2FDF) was added to all cells. Subsequently, 5 &#956;L Anti-cAMP-Eu Donor, diluted 1:21 in detection and lysis buffer 2, was added to cells. Plates were sealed and reactions gently vortexed at 900 rpm on a Heidolph Titramax 1000 for at least 30 minutes at room temperature. Plates were centrifuged again at 500×g for 10 seconds, and HTRF was measured using a Tecan Spark plate reader at 50 flashes per well. HTRF ratios (665 nm/620 nm×10,000) were determined and plotted in GraphPad Prism to generate a concentration-effect curve. Potency estimates (EC50) were derived from the four-parameter nonlinear regression of the concentration-effect curve and an estimate of relative efficacy was determined by comparing the magnitude of the test compound HTRF signal window (min&#8722;max dose) with the signal window of the full agonist control, isoproterenol.
9754	1	PXR BINDING ASSAY	The time-resolved fluorescence resonance transfer (TR-FRET) hPXR competitive binding assay was performed according to the manufacturer&#39;s instructions (Invitrogen) with minor modifications. Briefly, the binding assays were performed in 384-well low volume (20 &#956;l per well) solid black plates with 5 nM GST-hPXR ligand-binding domain, 40 nM fluorescent-labeled hPXR ligand (Fluormore PXR Green, also referred to as a tracer ), 5 nM terbium-labeled anti-GST antibody, and test compound at a variety of concentrations. DMSO (0.4%) was used as the negative control (0% inhibition) and a potent hPXR agonist, SR-12813 at 10 &#956;M (with 0.4% DMSO) was used as the positive control (100% inhibition). The activities of individual chemicals tested at various concentrations (1-to-2 series dilutions for 16 concentration levels from 40 &#956;M with 0.4% final DMSO concentration) were normalized to positive and negative controls to generate % Inhibition (PMID: 18784074).In the reaction mixture, GST-hPXR forms a complex with the terbium-labeled anti-GST antibody and the tracer. Excitation of terbium (the donor) using a 340-nm excitation filter results in energy transfer to the fluorophore of the tracer. This energy transfer is detected by an increase in the fluorescence emission of the tracer at 520 nm and a decrease in the fluorescence emission of terbium at 495 nm. The FRET ratio was calculated by dividing the emission signal at 520 nm by the emission signal at 495 nm. A competitor compound such as SR-12813 replaces the tracer from the complex and decreases the FRET ratio accordingly. The reactions were incubated at 25° C. for 30 min before measuring the fluorescent emission of each well at 495 and 520 nm using a 340-nm excitation filter, 100-&#956;s delay time, and 200-&#956;s integration time, with a PHERAStar plate reader (BMG Labtech, Durham, N.C.). The curve-fitting software GraphPad Prism 4.0 (Graphpad Software, La Jolla, Calif.) was used to generate the dose response curves and determine the IC50 values for individually tested compounds if applicable. SR-12813 has an IC50 of 65 nM in this assay.
9754	2	hPXR Tranxactivation Assays	The hPXR transactivation assays (PXR agonistic and antagonistic assays) were performed in the HepG2 cells stably expressing FLAG-hPXR and CYP3A4-luciferase reporter. Briefly, various concentrations (1-to-3 series dilutions for 10 concentration levels from 40 &#956;M with 0.5% final DMSO concentration) of hPXR agonist rifampicin, various concentrations of tested chemicals alone or combined with 5 &#956;M of rifampicin, were added to the wells of white 384-well tissue culture-treated plates with 5,000 cells in 25 &#956;l of phenol red-free DMEM supplemented with 5% charcoal/dextran-treated FBS and incubated for 24 h at 37° C. before luciferase assay using Steadylite HTS (PerkinElmer Life Sciences). The luminescence signal was detected using an Envision plate reader (PerkinElmer Life Sciences). In the agonistic assays, DMSO (0.5% final concentration) was used as the negative control (0% activation) and rifampicin (10 &#956;M in 0.5% DMSO) was used as the positive control (100% activation). In the antagonistic assays, rifampicin (5 &#956;M with 0.5% final DMSO concentration) was used as the negative control (0% inhibition) and DMSO (0.5%) was used as the positive control (100% inhibition). The activities of individual chemicals tested at various concentrations were normalized to the corresponding positive and negative controls to generate % Activation in agonistic assays and % Inhibition in antagonistic assays. The curve-fitting software GraphPad Prism 4.0 (Graphpad Software, La Jolla, Calif.) was used to generate the dose response curves and determine the IC50 (for hPXR antagonists) or EC50 (for hPXR agonists) values for individually tested compounds if applicable. Rifampicin has an IC50 of 1.18 &#956;M in this assay.
9755	1	RNA-Dependent RNA HCV NS5B (polymerase) Assay and IC50 Determination	The reaction mixtures consisted of 50 mM Hepes-KOH, pH 7.5, 5 mM MgCl2, 5 mM DTT, 2% glycerol, 0.01% Triton X-100, 0.5 uM polyA:U16 substrate, purified HCV RNA-dependent RNA polymerase, 10 &#956;M UTP, and 32P-UTP (Perkin Elmer). The reaction mixtures incubated at 30° C. for 60 minutes, and then filtered through Zeta probe membrane (BioRad). The filter was washed with 5×SSC (75 mM sodium citrate, pH 7 and 750 mM NaCl), and the radiolabeled RNA products were quantitated by microbeta (Perkin Elmer). For IC50 determination, different concentrations of inhibitors were added to the polymerase reaction mixtures, and incubated at 37° C. for 60 minutes. IC50 values were determined using GraFit (Erithaus software).
9755	2	HCV Replicon Assay and EC50 Determination	HCV replicon assay is based on the luciferase reporter cell line (Huh-luc/neo-ET). This reporter cell line is a human liver carcinoma cell line (Huh-7) stably transfected with an autonomously replicating bicistronic HCV subgenomic RNA replicon (Lohmann et al., 1999, Science, 285, 110-113). Inhibition of HCV RNA replication was monitored through analysis of reporter luciferase activity. Briefly, HCV replicon cells were incubated with inhibitors for 72 hours at 37° C. After the incubation, duplicate plates were treated and incubated in parallel for assessment of cellular toxicity by XTT staining and anti-HCV activity by measurement of luciferase reporter activity. Either human interferon alpha 2B or ribavirin was used as a reference compound. EC50 values were determined using GraFit (Erithaus software) or Excel.
9756	1	Biochemical Assay	For the SAR (structure-activity relationship) and compound screening, LanthaScreen TR-FRET (Time-Resolved fluorescence energy transfer) assay was employed using the phospho-tyrosine specific Terbium (Tb)-labeled antibody with a fluorescein labeled poly-GT (glutamate-tyrosine) as a substrate. Upon excitation at 340 nm by UV, the energy from Tb donor of the antibody is transferred to the fluorescein of the phosphorylated poly GT substrate, and fluorescein emits light at 520 nm. The ratio between the intensity of primary emission at 495 nm and that of secondary emission at 520 nm was used to quantify the level of kinase activity. The recombinant proteins of human c-MER and AXL catalytic domains, Fluorescein-labeled poly-GT substrate, Tb-labeled anti-phosphorylated tyrosine antibodies, the kinase assay buffer, and 0.5M EDTA solution were purchased (Life technologies, USA). The TR-FRET assays were carried out in the white low volume 384-well plate (Corning, USA). To measure the compound mediated inhibition of kinase activity, the recombinant kinases were pre-incubated with test compounds for 20 minutes prior to the addition of 200 nM fluorescein labeled poly-GT substrates and 10 uM ATP, and then the reaction was carried out for 1 hour at room temperature. 10 mM EDTA was added to terminate the enzyme reaction, and the level of phosphorylation of poly-GT substrate was determined following 30 min incubation with 2 nM Tb-labeled antibody. The fluorescence intensity was measured with Envision plate reader (PerkinElmer, USA).
9757	1	ADPGlo Assay	A kinase selectivity panel which measures autophosphorylation using the ADP-Glo Kinase Assay (Promega, V9101) was set-up for wild-type ALK2 (aa172-499) and ALK3 (aa198-525). The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by incubating 10 nM of each kinase in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 &#956;m Na3VO4, 10 mM -Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 and 15 &#956;m ATP for 60 min at 32° C. in the presence or absence of compound diluted in DMSO. The amount of generated ADP is a measure of kinase activity and is quantified using the ADP-Glo Kinase Assay (Promega) according to manufacturer&#39;s instructions. ADP is converted to ATP by adding 3 ul of ADP-Glo Reagent and incubation at 32° C. for 60 min. ATP is subsequently converted into a bioluminescent signal by adding 6 ul luciferase assay reagents (Kinase detection buffer+Kinase Detection Substrate (Promega)) and further incubation at 32° C. for 60 min. For the measurement of luminescence a PHERAstar Multilabel Reader was used at a measurement interval time of 0.1 second (optical module for luminescence measurements in the 230 nm to 750 nm wavelength range).
9757	2	Caliper Assay	A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for wild-type ALK2 (aa172-499), ALK2 FOP mutant (aa172-499 R206H), ALK1 (aa166-493), ALK5 (aa162-503) and ALK6 (aa168-495). The technology used for the described assay is based on the separation and quantification of substrate and product in an electrical field. In the course of the kinase reaction the peptide substrate is phosphorylated by a kinase. The transfer of a phosphate residue also causes the introduction of two additional negative charges and hence to a change in the net charge of the phospho-peptide compared to the unphosphorylated peptide. Due to this difference in charge the phosphorylated und unphosphorylated peptides migrate with different velocities in an electrical field.In the applied method, this separation takes place inside a chip that contains a complex capillary system for simultaneous analysis of 12 samples ( 12-sipper chip , Caliper Technologies Corp., Mountain View, USA). In order to allow the detection and quantification of the peptides in the capillary system, the peptides carry a fluorescent label (fluorescein). With this label the peptides can be quantified by fluorescence intensity through the instruments laser and detection system (LC3000, Caliper Life Sciences).The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 10 nM of each kinase together with 2 &#956;m of the fluorescently labeled substrate peptide 5-Fluo-Ahx-KKYQAEEN-T-YDEYENKK-amid (10 mM stock solution in DMSO) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 m Na3VO4, 10 mM If-Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 (ALK1 and ALK6 7 mM) and 15 &#956;m ATP for 60 min at 30° C. in the presence or absence of compound diluted in DMSO. Kinase reaction were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.Plates with terminated kinase reactions were transferred to the Caliper LC3000 workstation (Caliper Technologies Corp., Mountain View, USA) for reading. The relative amount of phosphorylated peptide r, was calculated using the heights of the substrate peak, s, and the product peak, p: r=p/(p+s).
9758	1	DGAT2 Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in deep well 384 plates in a final volume of 40 &#956;L at rt. The assay mixture contained the following: assay buffer (100 mM Tris.Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 10 &#956;M of oleoyl-CoA and 10 ng/&#956;L of DGAT2 membrane.
9759	1	In Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assays	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05 M acetate, pH 4.5, 8% DMSO final, 100 &#956;M genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The &#946;-secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2), which was pre-incubated for one hour with the test compound, typically in about 1 uL of DMSO according to a serial dilution, was added thereto. The assay was effectively started by the addition of FRET substrate (50 nM) and the combination was incubated for one hour. The FRET assay was terminated by the addition of tris buffer, which raised the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The specific FRET substrate used in this assay was made by Amgen in-house. Commercially available FRET substrates, for example, the FRET substrate offered with the BACE1 FRET Assay Kit sold by ThermoFisher Scientific (Catalog Number P2985), may be used in this assay with the appropriate modifications, which are within the purview of the ability of a person with ordinary skill in the art. Proteolytic cleavage of the FRET substrate released quenching of fluorescence (excitation 488 nm and emission 590 nm).
9759	3	In Vitro Enzymatic Cathepsin D (CatD) FRET Assay	Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) was pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays was effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination was incubated for one hour. The FRET assay was terminated with by addition of tris buffer, which raises the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the CatD cleavage site. The CatD substrate peptide sequence was based on sequence #1 of Table 1 from Gulnik et al., FEBS Lett. 413(2):379-384 (1997). Proteolytic cleavage of the FRET substrate released quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).Alternatively, a CatD assay may also be run according to the procedure described in Yasuda et al., J. Biochem. 125(6):1137-1143 (1999). In addition, the CatD and Cathepsin E assays are described in International Patent Application Publication No. WO2011069934.
9760	1	RIP1 Kinase Inhibition Assays (Biochemical Assay)	Enzyme assay: The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 &#956;M ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph 7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 &#956;g/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000. Fractional activity was plotted against test article concentration. Using Genedata Screener software (Genedata; Basel, Switzerland), the data were fit to the tight-binding apparent inhibition constant (Ki app) Morrison equation [Williams, J. W. and Morrison, J. F. (1979) The kinetics of reversible tight-binding inhibition. Methods Enzymol 63: 437-67].
9761	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.Test compounds having a lower Ki value or higher pKi value in the four JAK assays show greater inhibition of JAK activity.
9762	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#8722;1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response.
9763	1	PRMT5-MEP50 Enzyme Methylation Assay 1	PRMT5/MEP50 biochemical assay is a direct measurement of the methylation activity of the enzyme complex on a short peptide substrate derived from the N-terminus of H4 histone. Methylation experiment is performed with recombinant protein. The assessment of inhibitory effect (IC50) of small molecules is measured by the effectiveness of the compounds to inhibit this reaction.In this assay, the potency (IC50) of each compound was determined from a twenty-point (1:2 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 100 nL of compound (1% DMSO in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 8 &#956;L of 1× assay buffer (50 mM Bicine pH 8.0, 1 mM DTT, 0.004% Tween20, 0.01% BSA) containing 0.5 nM of Full-length (FL)-PRMT5-MEP50 enzyme complex (recombinant proteins from baculovirus-transfected Sf21 cells: FL-PRMT5; MW=73837 kDa). Plates were sealed and placed in a 37° C. humidified chamber for 30 minutes pre-incubation with compounds. Subsequently, each reaction was initiated by the addition of 2 &#956;L 1× assay buffer containing 75 nM biotinylated H4R3(Me1) peptide, and 15 &#956;M S-(5&#8242;-Adenosyl)-L-Methionine Chloride (SAM). The final reaction in each well of 10 &#956;L consists of 0.5 nM PRMT5-MEP50, 75 nM biotinylated-peptide, and 15 &#956;M. Methylation reactions were allowed to proceed for 150 minutes in a sealed plate at 37° C. Reactions were immediately quenched by the addition of 1 &#956;L of 10% formic acid. Plates were then frozen and shipped to SAMDI Tech Inc. to determine the percent conversion from K4R3(Me1) to K4R3(Me2). IC50 values were determined by 7 parameters biphasic fit model plotting the percent product conversion vs. (Log10) compound concentrations.
9763	2	PRMT5-MEP50 Enzyme Methylation Assay 2	PRMT5/MEP50 biochemical assay is a direct measurement of the methylation activity of the enzyme complex on a short peptide substrate derived from the N-terminus of H4 histone. Methylation experiment is performed with recombinant protein. The assessment of inhibitory effect (IC50) of small molecules is measured by the effectiveness of the compounds to inhibit this reaction.In this assay, the potency (IC50) of each compound was determined from a twenty-point (1:2 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 100 nL of compound (1% DMSO in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 8 &#956;L of 1× assay buffer (50 mM Bicine pH 8.0, 1 mM DTT, 0.004% Tween20, 0.01% BSA) containing 0.5 nM of Full-length (FL)-PRMT5-MEP50 enzyme complex (recombinant proteins from baculovirus-transfected Sf21 cells: FL-MEP50; MW=38614). Plates were sealed and placed in a 37° C. humidified chamber for 30 minutes pre-incubation with compounds. Subsequently, each reaction was initiated by the addition of 2 &#956;L 1× assay buffer containing 75 nM biotinylated H4R3(Me1) peptide, and 15 &#956;M S-(5&#8242;-Adenosyl)-L-Methionine Chloride (SAM). The final reaction in each well of 10 &#956;L consists of 0.5 nM PRMT5-MEP50, 75 nM biotinylated-peptide, and 15 &#956;M. Methylation reactions were allowed to proceed for 150 minutes in a sealed plate at 37° C. Reactions were immediately quenched by the addition of 1 &#956;L of 10% formic acid. Plates were then frozen and shipped to SAMDI Tech Inc. to determine the percent conversion from K4R3(Me1) to K4R3(Me2). IC50 values were determined by 7 parameters biphasic fit model plotting the percent product conversion vs. (Log10) compound concentrations.
9763	3	PRMT5 Cell Target Engagement (TE) Assay	The PRMT5 TE assay is a biomarker assay for identifying compounds that inhibit symmetric dimethylation of arginine (SDMA) of PRMT5 substrates. This assay detects symmetrically dimethylated nuclear proteins using high content imaging technology. Detection of the expression of symmetrically dimethylated nucleo proteins is through a mixture of primary rabbit monoclonal antibodies to SDMA (CST 13222), which in turn recognized by an Alexafluor 488 dye-conjugated anti-rabbit IgG secondary antibody. The IN Cell Analyzer 2200 measures nuclear Alexafluor 488 fluorescent dye intensity that is directly related to the level of expression of symmetrically dimethylated nuclear proteins at the single cell level. Nuclear AF488 dye intensities are compared to the mean value for DMSO treated cells (MIN) to report percent of inhibition for each compound-treated well.In this assay, the cell potency (EC50) of each compound was determined from a ten point (1:3 serial dilution; top compound concentration of 10000 nM) titration curve using the following outlined procedure. Each well of a BD falcon collagen coated black/clear bottom 384-well plate was seeded with 4000 MCF-7 cells and allowed to attach for 5 hours. Media from cell plate was removed at 0.5 mm above the bottom of the plate and replaced with 30 &#956;L of fresh media containing 1.2× compounds in 0.1% DMSO. Cells were treated for 3 days in 37° C. CO2 incubator. On day 3, cells were fixed with Cytofix, permeablized with 0.4% Triton-X-100/Cytofix, and washed with D-PBS without Ca/Mg. Cells were blocked with Licor Odessey blocking reagent for one hour at room temperature, followed by incubation with anti-SDMA (1:1000) antibody at 4° C. overnight. 1° antibody was removed, followed by three washings with DPBS without Ca/Mg and 0.05% Tween20. Hoechst (5 &#956;g/ml), Cell Mask deep stain (1:2000) and Alexa488-conjugated goat anti-rabbit IgG (2 &#956;g/mL) was added for 1 hour at room temperature. A final washing step (three washes) was performed before sealing plate for imaging on In Cell Analyzer 2200. Images from analyzer were uploaded to Columbus (at WP) for image analysis. IC50 values were determined by 4 parameters robust fit of percent fluorescence units vs. (Log10) compound concentrations.
9764	1	In Vitro Assay PDE2A	Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of infection and the hPDE2A protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 &#956;l) were added in 384 well plates to 20 &#956;l of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10l of hPDE2A enzyme in incubation buffer was added and the reaction was started by addition of 10 &#956;l substrate to a final concentration of 10 &#956;M cGMP and 0.01 &#956;Ci 3H-cGMP. The reaction was incubated for 45 minutes at room temperature. After incubation, the reaction was stopped with 20 &#956;l of stop solution consisting of 17.8 mg/ml PDE SPA scintillation proximity assay) beads supplemented with 200 mM ZnCl2. After sedimentation of the beads during 30 minutes the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blanc values the enzyme was omitted from the reaction and replaced by incubation buffer. Control values were obtained by addition of a final concentration of 1% DMSO instead of compound. A best fit curve is fitted by a minimum sum of squares method to the plot of % of control value substracted with blanc value versus compound concentration and the half maximal inhibitory concentration (IC50) value is derived from this curve.
9764	2	In Vitro Assay PDE3A	Human recombinant PDE3A (hPDE3A) was supplied as a partially purified insect cell lysate by Scottish Biomedical, it was cloned from human brain and expressed in Sf9 cells. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 &#956;l) were added in 384 well plates to 20 &#956;l of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 &#956;l of hPDE3A enzyme in incubation buffer was added and the reaction was started by addition of 10 &#956;l substrate to a final concentration of 0.4 &#956;M cAMP and 2.4 &#956;Ci/ml [3H]-cAMP. The reaction was incubated for 60 min at room temperature. After incubation, the reaction was stopped with 20 &#956;l of stop solution consisting of 17.8 mg/ml PDE SPA (scintillation proximity assay) beads supplemented with 200 mM ZnCl2. After sedimentation of the beads during 30 min the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blanc values the enzyme was omitted from the reaction and replaced by incubation buffer. Control values were obtained by addition of a final concentration of 1% DMSO instead of compound. A best fit curve is fitted by a minimum sum of squares method to the plot of % of control value substracted with blanc value versus compound concentration and the half maximal inhibitory concentration (IC50) value is derived from this curve.
9764	3	In Vitro Assay PDE10A	Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9) cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of infection and the rPDE10A protein was purified by metal chelate chromatography on Ni-sepharose 6FF. Tested compounds were dissolved and diluted in 100% DMSO to a concentration 100 fold of the final concentration in the assay. Compound dilutions (0.4 &#956;l) were added in 384 well plates to 20 &#956;l of incubation buffer (50 mM Tris pH 7.8, 8.3 mM MgCl2, 1.7 mM EGTA). 10 &#956;l of rPDE10A enzyme in incubation buffer was added and the reaction was started by addition of 10 &#956;l substrate to a final concentration of 60 nM cAMP and 0.008 &#956;Ci 3H-cAMP. The reaction was incubated for 60 minutes at room temperature. After incubation, the reaction was stopped with 20 &#956;l of stop solution consisting of 17.8 mg/ml PDE SPA (scintillation proximity assay) beads. After sedimentation of the beads during 30 minutes the radioactivity was measured in a Perkin Elmer Topcount scintillation counter and results were expressed as cpm. For blanc values the enzyme was omitted from the reaction and replaced by incubation buffer. Control values were obtained by addition of a final concentration of 1% DMSO instead of compound. A best fit curve is fitted by a minimum sum of squares method to the plot of % of control value substracted with blanc value versus compound concentration and the half maximal inhibitory concentration (IC50) value is derived from this curve.
9765	1	Evaluation of the Ability to Inhibit TNF-&#945; Secretion by human Resistin	Using THP-1 (human monocyte) cell line and ELISA system, the abilities to inhibit TNF-&#945; secretion by hResistin (IC50) were evaluated for the compounds prepared in the above examples. The compounds target hResistin, and the abilities of the compounds to inhibit TNF-&#945; secretion by human recombinant Resistin in human monocyte (THP-1) were evaluated. The abilities to inhibit TNF-&#945; secretion were assessed by ELISA quantifying the amount of antibody with the enzyme as a marker using an antigen-antibody reaction.Specifically, the cultured cells were spun down at 1,500 rpm for 2 minutes, the supernatant was removed and then the cells were re-suspended in 10 mL of complete RPMI-1640 medium. After counting the number of cells using Luna Automated Cell Counter, cells were plated into 96-well assay plates at 50 &#956;L per well. The cells cultured for 24 hours were treated with the test substances in accordance with the concentration for 1 hour, and then the supernatant was collected and subjected to ELISA assay. In the ELISA assay, the absorbance at 450 nm (OD450 nm) was measured using Flexstation 3.
9766	1	Syk Kinase Test	Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a concentration of approx. 50-100 &#956;M in storage buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% BSA; 0.01% CHAPS; 100 &#956;M Na3VO4; 0.5 mM DTT, 10% glycerol) at &#8722;80° C. until use.The catalytic activity of the GST-Syk kinase fusion protein was determined using the Kinase Glo Luminescence Kinase test (Promega; V6712). In this homogeneous test the amount of ATP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ATP still present and thus correlates inversely with the activity of the kinase.MethodThe test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 1 mM. Serial Dilution is done in 100% DMSO. All further dilutions of the substances were carried out with test buffer (25 mM HEPES pH7.5; 25 mM MgCl2; 5 mM MnCl2; 50 mM KCl; 0.2% HSA; 0.01% CHAPS; 100 &#956;M Na3VO4; 0.5 mM DTT). Dilution steps and concentration range were adapted according to need. 7 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). GST-Syk was diluted to 12 nM in the test buffer and 5 &#956;l of this dilution were used in the kinase test (final concentration of Syk=4 nM in a total volume of 15 &#956;l). After 15 minutes incubation at room temperature 3 &#956;l of a mixture of 750 nM ATP and 100 &#956;g/ml poly (L-Glutamic acid L-Tyrosine 4:1), Fluka #81357) in test buffer were added to each well and the incubation was continued for a further 60 minutes at room temperature.Positive controls are the reaction mixtures that contain no test substance; negative controls (blanks) are reaction mixtures that contain no kinase.After 60 minutes, 10 &#956;l Kinase-Glo solution (Promega, Cat. # V6712) (heated to room temperature) were added to each well and incubation was continued for a further 15 minutes. The plates were read in Envision Luminescence Reader (Perkin-Elmer).
9766	2	Aurora B Kinase Test	Recombinant human Aurora B (amino acids 1-344, clone number DU1773, Molecular weight 40.2 kDa, University of Dundee) was expressed as a fusion protein with an N-terminal His tag, affinity-purified and deep-frozen at a concentration of approx. 0.25-0.5 mg/ml in storage buffer (50 mM Tris-HCl pH 8; 25 mM Na- -glycerophosphat; 0.1 mM EGTA; 150 mM NaCl; 0.03% Brij-35; 1 mM DTT and 10% glycerol) at &#8722;80° C. until use.The activity of the Aurora B kinase protein was determined using the ADP Glo Luminescence Kinase test (Promega; V9103X). In this homogeneous test the amount of ADP remaining after the kinase reaction is quantified by a luciferin-luciferase reaction using luminescence. The luminescence signal obtained correlates with the amount of ADP still present and thus correlates with the activity of the protein kinase.MethodThe test compounds were dissolved in 100% DMSO at a concentration of 10 mM and diluted in DMSO to a concentration of 5 mM. Serial Dilution is done in 1:10 steps in 100% DMSO. All further dilutions of the substances were carried out with test buffer (50 mM Hepes, pH 7.5, 10 mM MgCl2, 1 mM EGTA, 60 &#956;M Ultra Pure ATP, 0.01% Brij35, 0.1% BSA, 5 mM 3-Glycerophosphate) until a concentration was reached which was 2.5 times above the final test concentration (final concentration of the compounds: 50 &#956;M to 0.005 nM). 4 &#956;l aliquots of these dilutions were transferred into a 384-well Optiplate (Perkin Elmer, #6007290). His-Aurora B was diluted to 125 nM in the test buffer and 4 &#956;l of this dilution were used in the kinase test (final concentration of Aurora B=50 nM in a total volume of 10 &#956;l). After 15 minutes incubation at room temperature 2 &#956;l of 250 &#956;M substrate ([LRRLSLGLRRLSLGLRRLSLGLRRLSLG]; University of Dundee) in test buffer were added to each well and the incubation was continued for a further 60 minutes at room temperature.Positive controls are the reaction mixtures that contain no test substance; negative controls (blanks) are reaction mixtures that contain no kinase.After 60 minutes, 10 &#956;l ADP-Glo solution (ADP-Glo Reagent #V912B Promega) (heated to room temperature) were added to each well and incubation was continued for a further 40. minutes. Then 20 &#956;l Kinase detection mix (Detection Buffer #V913B Promega; Kinase Detection Substrate #V914B Promega) were added and incubated for 40 minutes at room temperature. The plates were read in Envision Luminescence Reader (Perkin-Elmer).
9766	3	FLT3 Kinase Test	FLT3 is obtained from Invitrogen in 50 mM Tris (pH7.5); 100 mM NaCl; 0.05 mM EDTA, 0.05% NP-40, 2 mM DTT; 50% Glycerol # PV3182; Lot 286671; sequence see below). The enzyme is diluted to 720 nM (35 &#956;g/ml) in enzyme dilution buffer and 10 &#956;l aliquots are stored at &#8722;80° C.The activity of FLT3 is measured using the Z&#8242;-LYTE assay technology from Invitrogen (#PV3191)MethodThe assay is performed in 384 black plates from Corning (#3676) in a final volume of 10 &#956;l by adding 5 &#956;l of kinase peptide mix and 2.5 &#956;l of compound dilution. The reaction is started by addition of 2.5 &#956;l of the 4×ATP solution.Final concentration in assay: FLT3 2 nM, Tyr2 peptide 4 &#956;M, ATP 470 &#956;M (ATP Km for FLT3)Positive controls are reaction mixtures containing no test compound; negative controls (blanks) are reaction mixtures containing no kinase. As a further control, the phosphopeptide solution is added to wells without kinase (=100% phosphorylation control). The non inhibited kinase reaction will result in a phosphorylation corresponding to 20%-30% of the phosphorylation control.The reaction is performed for 1 h at room temperature before 5 &#956;l of the development solution is added. After a further incubation for 1 h at room temperature 5 &#956;l of the stop reagent is added. The plates are read on a Flex Station II 384 (Molecular Devices).To control for any potential inhibition of the protease present in the development solution, the phosphopeptide is incubated with the development solution in the presence of the highest concentration of the test compound (usually 100 &#956;M or 10 &#956;M).
9766	4	GSK 3beta Kinase-Test	Human GSK3beta (expressed and prified from SF21 cells) is obtained from the University Dundee/Scotland (Dr. James Hastie Dept. of Biochemistry) in 50 mM Tris (pH7.5); 150 mM NaCl; 0.1 mM EGTA, 270 mM Succrose, 0.1% B-mercaptoethanol, 1 mM benzamidine, 0.2 mM PMSF; sequence see below). The enzyme is diluted to 3.56 &#956;M (168 &#956;g/ml) in enzyme dilution buffer and 6 &#956;l aliquots are stored at &#8722;80° C.The activity of GSK3 kinase protein is measured using the Z&#8242;-LYTE assay technology from Invitrogen (# PV3324).Method:The assay is performed in 384 black plates from Corning (#3676) in a final volume of 10 &#956;l by adding 5 &#956;l of kinase peptide mix and 2.5 &#956;l of compound dilution. The reaction is started by addition of 2.5 &#956;l of the 4×ATP solution.Final concentration in assay: GSK3&#946; 5 nM, Ser/Thr9 peptide 2 &#956;M, ATP 7 &#956;M (ATP Km for GSK33)Positive controls are reaction mixtures containing no test compound; negative controls (blanks) are reaction mixtures containing no ATP. As a further control, the phosphopeptide solution is added to wells without kinase and without ATP (=100% phosphorylation control). The non inhibited kinase reaction will result in a phosphorylation corresponding to 20%-30% of the phosphorylation control.The reaction is performed 1 h at room temperature. After 1 h 5 &#956;l of the development solution is added. After a further incubation for 1 h at room temperature 5 &#956;l of the stop reagent is added. Finally the plates are read on a Flex Station II 384 (Molecular Devices).To control for any potential inhibition of the protease present in the development solution, the phosphopeptide is incubated with the development solution in the presence of the highest concentration of the test compound (usually 100 &#956;M).
9767	1	Tritiated Compound Binding to Membranes Isolated from Cells that Heterologous Express hNav1.7 and the beta1 Subunit	Heterologously Express hNav1.7 and the &#946;1 SubunitPreparation of membranes containing recombinantly expressed sodium channels: Frozen recombinant cell pellets were thawed on ice and diluted to 4 times the cell pellet weight with ice cold 50 mM Tris HCl, pH 7.4 buffer. The cell suspensions were homogenized on ice using a motorized glass dounce homogeniser. Homogenates were further diluted 8.4 times with ice cold 50 mM Tris HCl, pH 7.4 buffer and then centrifuged at 200×g at 4° C. for 15 min. The supernatants were collected and centrifuged at 10000×g at 4° C. for 50 min. The pellets were then re-suspended in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 1% v/v protease inhibitors (Calbiochem) and re-homogenized on ice. The homogenized membranes were then processed through a syringe equipped with a 26 gauge needle. Protein concentrations were determined by Bradford Assay and the membranes were stored at &#8722;80° C.Radioligand Binding Studies:Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group was tritiated. Three tritiums were incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand was performed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding was determined in the presence of 1 &#956;M unlabeled compound. After 18 h, the reactants were filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters were washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters was quantified by liquid scintillation counting.Competitive Binding Experiments:Binding reactions were performed in 96-well polypropylene plates at room temperature for 18 h. In 360 &#956;L, membranes were incubated with 100 pM [3H]compound and increasing concentrations of Test Compound. Non-specific binding was defined in the presence of 1 &#956;M unlabeled compound. Reactions were transferred and filtered through 96-well glass fiber/C filter plates presoaked with 0.5% polyethylene imine. The filtered reactions were washed 5 times with 200 &#956;L ice cold buffer containing 0.25% BSA. Bound radioactivity was determined by liquid scintillation counting.
9767	2	Electrophysiological Assay (EP) (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following voltage clamp electrophysiology studies were performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1.5 channels. cDNAs for Nav1.7 (NM_002977) and Nav1.5 (AC137587) were stably expressed in Chinese Hamstr Ovary (CHO) cells and CHL (Chinese Hamster Lung) cells respectively. Sodium currents were measured in the whole-cell configuration using Syncropatch 384PE (Nanlon Technologies, Germany). 1NPC -384 chips with custom medium resistance and single hole mode are used. Internal solution consists of (in mM): 110 CsCl, 10 CsCl, 20 EGTA, and 10 Hepes (pH adjusted to 7.2); and external solution contains (in mM): 60 NMDG, 80 NaCl, 4 KCl, 1 MgCl2, 2 CaCl2, 2 D-Glucose monohydrate, 10 Hepes (pH adjusted to 7.4 with NaOH).After system flushing, testing compounds are dissolved in external solution containing 0.1% Pluronic F-127. The chip is moved into the measuring head and the instrument primes the chip with external and internal solutions. 10 l cells are added to the chip from a cell hotel, and a negative pressure of &#8722;50 mBar is applied to form a seal. Following treatment with seal enhancer solution and wash-off with external solution, negative pressure of &#8722;250 mbar is applied for 1 second to achieve the whole-cell configuration, followed by three washing steps in external solution. 20 l of compounds is added to 40 l in each well (1:3 dilution of compounds), and after mixing, 20 l is removed so the volume is retained at 40 ul. After approximately 13 minutes recordings, 20 l/well of 2 uM TTX, or 333 uM Tetracaine (for Nav1.5) is added to achieve full block.For voltage protocol, an holding potential of &#8722;50 mV is applied during the whole experiment. A depolarizing step is applied to &#8722;10 mV for 10 ms, followed by a hyperpolarization step to &#8722;150 mV for 20 ms to allow channel recovery from inactivation. A second depolarizing step is applied from &#8722;150 mV to &#8722;10 mV for 10 ms, where currents were measured to derive blocking effects of compounds. Inhibition is determined based on 7.5 min of compound incubation.
9768	1	ThermoFluor (Tf) assay	The ThermoFluor is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (Pantoliano, M. W., et al., J. Biomol. Screen 2001, 6, 429-40.). This approach is applicable to a wide variety of systems, and rigorous in theoretical interpretation through quantitation of equilibrium binding constants (KD).In a ThermoFluor experiment where protein stability is monitored as the temperature is steadily increased, an equilibrium binding ligand causes the midpoint of an unfolding transition (Tm) to occur at a higher temperature. The shift in the melting point described as a &#916;Tm is proportional to the concentration and affinity of the ligand. The compound potency may be compared as a rank order of either &#916;Tm values at a single compound concentration or in terms of KD values, estimated from concentration response curves.The details of the KEAP1 KELCH ThermoFluor Assay Construct are as follows: Kelch domain of human KEAP1 (321-624 aa) was used in the assay. The protein was expressed in E. coli with 6His tag that was cleaved prior to receipt for use.ThermoFluor experiments were carried out using instruments owned by Janssen Research and Discovery, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein (KEAP Kelch) and compound solutions were dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation.Reference wells contained KEAP Kelch without compounds, and the assay conditions were as follows: 1.1 &#956;M (0.037 mg/mL) KEAP Kelch, 80 &#956;M 1,8-ANS, 25 mM PIPES, pH 7.0, 100 mM NaCl, 0.002% Tween-20.The binding affinity was estimated as described previously (Matulis, D. et al., Biochemistry 2005, 44, 5258-66) using thermodynamic parameters of protein unfolding listed below.
9769	1	Biochemical JAK Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.Test compounds having a higher pKi value in each of the four JAK assays show greater inhibition of JAK activity. Compounds of the invention tested in this assay typically exhibited pKi values between about 7 and about 10.3
9770	1	Inhibitory Activity Assay	Non-limiting examples of the HPTP-&#946; IC50 (&#956;M) activity.
9771	1	Inhibition Activity Assay	The presently disclosed compounds find use in inhibiting the activity of the enzyme HPK1. HPK1, also referred to as mitogen activated protein kinase kinase kinase kinase 1 or MAP4K1, is a member of the germinal center kinase subfamily of Ste20-related serine/threnonine kinases. HPK1 functions as a MAP4K by phosphorylating and activating MAP3K proteins, including MEKK1, MLK3 and TAK1, leading to the activation of the MAPK Jnk.
9772	1	Enzyme Assay	RET: Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve. 
9772	2	Enzyme Assay	RET G810R: The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
9773	1	Kinase Luminescence Assay	Table 1: One assay for purified hPASK activity utilizes the Kinase-Glo Luminescent Kinase Assay (Promega), which quantifies the amount of ATP remaining in solution following kinase reaction. The assay is carried out in a 96-well plate format and is performed by adding a volume of Kinase-Glo Reagent (Promega, catalog #V3771) equal to the volume of solution in the well of a completed kinase reaction. Kinase-Glo reagent contains Luciferase and its substrate. After addition to a kinase reaction it allows to measure luminescence. The amount of ATP left in solution at the time of Kinase-Glo Plus addition is directly proportional to the luminescence that is measured in each well, and inversely correlated with kinase activity.Purified hPASK from insect cells (0.02 &#956;g) is added to a 50 &#956;L reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM DTT and 1 &#956;g of MBP protein. Inhibitory compounds are then added and the mixture is incubated for 10 min at 25° C. before adding 5 &#956;L of ATP (at desired concentration). The reaction is allowed to proceed at 25° C. for 1 hour before adding 50 &#956;L of Kinase-Glo reagent. The luminescence is measured as soon as 10 minutes after Kinase-Glo reagent is added.
9773	2	Radiochemical Assay	Table 2: Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is added to freshly prepared Base Reaction Buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and Myelin Basic Protein (20 &#956;M final). Test compounds in DMSO are then added and the mixture, followed by delivery of 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) to initiate the reaction. The kinase reaction is incubated for 120 min at room temperature. The entire reaction mixture is washed through onto a P81 Phosphocellulose paper and washed three times for 10 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
9773	3	FRET Assay 	Table 3: In the presence of kinase and ATP, the Ulight-peptide is phosphorylated and captured by an anti-phospho-substrate antibody, which brings the Eu chelate donor and Ulight acceptor dyes into close proximity. Upon excitation at 340 nm, the Eu chelate transfers its energy to the Ulight dye, resulting in a fluorescent light emission at 665 nm. Titration of kinase at 1 mM ATP was achieved via the following protocol. After making serial three-fold dilutions of PASK (Invitrogen) in reaction buffer across the plate; 5 &#956;l of kinase dilution and 5 &#956;l substrate/ATP mix were added to the wells of the white Optiplate-384 (PerkinElmer). The contents of the plate were and incubated at RT for 1 h. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FRET mode (665 nm/615 nm). The results were graphed to calculate the EC50.
9773	4	Biochemical Assay for CK2 Activity	Purified CK2a2 (NP_001887; human full-length protein, GST tagged) from insect cells (final concentration 1.2 nM) is added to freshly prepared Base Reaction Buffer containing 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and CK2 sub [RRRDDDSDDD] (20 &#956;M final). Test compounds in DMSO are then added and the mixture, followed by delivery of 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) to initiate the reaction. The kinase reaction is incubated for 120 min at room temperature. The entire reaction mixture is washed through onto a P81 Phosphocellulose paper and washed three times for 10 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
9774	1	Fluorescence Polarization Anisotropy Competition Assay	Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-one, Monroe, N.C., USA). The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 14 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). For selectivity assays, 40 nM Bcl-2 (residues 1-207A96T,G110R, &#916;35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer.Compounds are diluted in DMSO in a 10-point, 3-fold serial dilution scheme. 2.5 uL compound is added to 47.5 uL of assay buffer containing FITC-Bak and protein, for a final DMSO concentration of 5% and a top concentration of 20 uM. A FITC-Bak peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. The plate was mixed and incubated for 90 minutes at room temperature. Anisotropy is measured at excitation wavelength 480 nm and emission wavelength 535 nm using an EnVision Multi-label plate reader (PerkinElmer, Wellesley, Mass., USA). Fluorescence anisotropy is plotted against compound concentration to generate an IC50 (inhibitor concentration at which 50% of bound peptide is displaced) by fitting the data to a 4-parameter logistic model using XLFit software (Guildford, Surrey, UK). IC50 is converted to a binding dissociation constant (Ki value)
9775	1	In Vitro Assay	MALT1 protease activity was assessed in an in vitro assay using a tetrapeptide as substrate and full-length MALT1 protein (Strep-MALT1(1-824)-His) purified from baculovirus-infected insect cells. The tetrapeptide LRSR is coupled to AMC (7-amino-4-methylcoumarin) and provides a quenched, fluorescent substrate for the MALT1 protease (SM Biochemicals). Cleavage of AMC from the Arginine residue results in an increase in coumarin fluorescence measured at 460 nm (excitation 355 nm). The final assay buffer consisted of 10 nM FL MALT1 protein, 200 &#956;M Ac-LRSR-AMC, 50 mM Tris pH 7.5, 0.6 M Citrate, 1 mM DTT, 1 mM EDTA, 0.05% BSA and 1.5% DMSO. Test compounds were spotted at 50 nL in 100% DMSO per well of a black 384-Proxiplate (Perkin Elmer). Test compound concentrations ranged from 30 &#956;M to 0.5 nM using 11 dilution steps (1:3). Background signal was measured from control wells containing assay buffer without enzyme which functions as low control (LC). High control (HC) values were generated using the reaction with enzyme but no compound treatment. Compounds were pre-incubated with MALT1 enzyme for 50 minutes at RT. Substrate was added subsequently and fluorescence was measured in Labsystems fluoroskan at excitation 355 nm and emission 460 nm to determine time 0. The reaction was subsequently incubated for 4 h at RT and fluorescence was measured. 
9776	1	Enzyme Inhibitory Assay	R206H: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 (R206H) is as follows.In a buffer solution (20 mM HEPES, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij 35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO), human ALK2 (http://www.expasy.org/uniprot/Q04771) in which Arg206 was mutated with His, and a substrate (20 &#956;M casein) were incubated at room temperature for 20 minutes together with a test compound, 33P-ATP (specific radioactivity: 10 Ci/L) was then added thereto so that the final ATP concentration was 10 &#956;M, and the mixture was additionally incubated at room temperature for 2 hours. The reaction mixture was filtered using a P81 ion exchange filter, and a kinase activity was determined by measuring a radioactivity bound to the filter. An inhibitory effect was determined using test compounds with respective concentrations, and a concentration (IC50) indicating 50% of the maximum inhibitory concentration was calculated.
9776	2	Enzyme Inhibitory Assay	TABLE 5: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 is as follows. In a buffer solution (20 mM HEPES, pH 7.5, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij 35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO), human ALK2 (http://www.expasy.org/uniprot/Q04771) and a substrate (20 &#956;M casein) were incubated at room temperature for 20 minutes together with test compound, 33P-ATP (specific radioactivity: 10 Ci/L) was then added thereto so that the final ATP concentration was 10 &#956;M, and the mixture was additionally incubated at room temperature for 2 hours. The reaction mixture was filtered using a P81 ion exchange filter, and a kinase activity was determined by measuring a radioactivity bound to the filter. An inhibitory effect was determined using test compounds with respective concentrations, and a concentration (IC50) indicating 50% of the maximum inhibitory concentration was calculated.
9777	1	TBD	TBD
9777	2	TBD	TBD
9778	1	Radioligand Binding Assay	To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 &#956;g/well). The experimental compounds were serially diluted in 100% DMSO and added to each row of the assay plate to achieve desired compound concentrations, keeping the DMSO concentration in the assay plate at 1.33% of the final reaction volume. Next, 3H Ro 25-6981 (4 nM) was added to the assay plate. After incubation for 1 hr at room temperature, the membrane bound radioligand was harvested on to GF/B filter plates (treated with 0.5% PEI for 1 hr at room temperature). The filter plates were dried at 50° C. for 20 mins, incubated with microscint 20 for 10 minutes and finally, the counts were read on TopCount (Perkin Elmer). Non-specific binding was determined using MK-0657 (the preparation of this compound is described as example 1 in WO 2004 108705 (40 &#956;M). CPM values were converted to % inhibition and the concentration response curves were plotted using custom made software. 
9779	1	Biochemical Assay	Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 micromolar (&#956;M) EDTA and 0.01% TWEEN-20, final concentration, was used as the assay buffer. The LDHA reagent was 2 nanomolar (nM) Human LDHA (Meridian Life Science, Inc., Memphis, Tenn.), final concentration, in assay buffer. The substrate reagent was 0.06 mM NADH and 0.2 mM sodium pyruvate, final concentration, in assay buffer. The resazurin/diaphorase coupling reagent was 0.037 mM resazurin and 0.133 milligrams per milliliter (mg/mL) diaphorase, final concentration, in assay buffer. The sequence of steps, amount and types of reagents, and time required for each step are set forth in Table 1. The inhibition of LDHA activity was measured by fluorescence emission.
9780	1	Biochemical Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
9781	1	LanthaScreen Assay	LRRK2 Km ATP LanthaScreen Assaya) 400 nl of a 1:2.15 serial dilution of test compound (98 &#956;M top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO.b) 10 &#956;l of a 2.5 nM LRRK2 (G2019S mutation, GST-LRRK2 (amino acids 970-2527)) enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells.c) A 30 minute room temperature incubation is followed by addition of 10 &#956;l of 800 nM fluorescein labeled LRRKtide peptide substrate and 186 &#956;M ATP solution in 1× assay buffer to all wells.d) After a 60 minute room temperature incubation, 20 &#956;l of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells.e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with LanthaScreen settings. Results are analysed using Assay Data Analyzer.
9782	1	Enzyme Assay	Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1× CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer conditions were used for KDR with the addition of 2 mM MnCl2. RETV804M buffer used 1× CisBio enzymatic buffer supplemented with a final concentration of 2 mM MgCl2, 1 mM DTT, 20 nM SEB and 0.01% Triton X100.
9783	1	Enzymatic Assay	Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP; Molecular Probes) as the substrate. Enzyme (250 pM) was incubated with or without increasing concentrations of compounds in assay buffer (62.5 mM HEPES, 125 mM NaCl, 1 mM EDTA, 1.25 mM TECP, 0.1% BSA) for 30 min at room temperature. Reaction was initiated by addition of DiFMUP (50 &#956;M) at room temperature in 384-well black plate with a final reaction volume of 20 uL in assay buffer. After 1 hour, DiFMUP fluorescence signal was measured (Ex:340/Em:460) using Envision plate reader. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener). Curves were normalized to a high controls without inhibitor, and low controls without enzyme. Results are given below in Table 1. Other compounds disclosed herein are expected to have activity similar to the results below, showing activity as PTPN11 inhibitors.
9785	1	In Vitro Enzymatic Inhibitory Activity Assay	Experimental Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfuric acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL bovine serum albumin, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOEnzyme: Wee-1 concentration is 150 nMMatrix: MBP concentration is 20 &#956;MCompound Treatment:The tested compound was formulated into a 5 mM solution with 100% DMSO, and a 10 points 3-fold gradient dilution was performed with DMSO through an automated pipetting station epMotion 5070.Experiment Procedure:1. Fresh matrix configuration reaction buffer was prepared;2. The Wee-1 was added into the matrix solution and shaked gently;3. DMSO solution of the compound were added into the kinase reaction mixture using an acoustic technique (Echo 550; nanoliter range) and incubated for 20 minutes at room temperature;4. 33P-ATP (specific activity, 10 &#956;Ci/&#956;L) was added into the reaction mixture to stimulate the reaction;5. Incubated for 2 hours at room temperature;6. Kinase activity was detected by filter-binding method.
9786	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD-1 activity is based on Tnne Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD-1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD-1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat # 64355), 2 uM FAD in assay buffer of 50 mM HEPES, pH 7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Playcolink Streptavidin-allophycoeyanin (Prozyme) and Europium-anti-unmodified historic H3 lysine 4 (H3K4) antibody (Perkin Ehner) in the presence of LSD-1 inhibitor such as 1.8 in mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 uL of the mixture of 150 nM H3K4me1-biotin labeled peptide 2 uL of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 uL of 0.3 nM LSD-1 and 6 uM of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 uL of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD-1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
9787	1	In Vitro FXR Assay (TK)	After 18 h of incubation, the medium in the T175 flask was changed with fresh DMEM+10% charcoal super-stripped serum. In a polypropylene tube, 2500 &#956;L OptiMEM (Life Technologies, Cat #31985-062) was combined with expression plasmids for hFXR, hRXR, TK-ECRE-luc and pCMX-YFP. The tube was then briefly vortexed and incubated at room temperature for 5 minutes. Transfection reagent (X-tremeGENE HP from Roche, Cat #06 366 236 001) was added to the OptiMEM/plasmid mixture vortexed and incubated at room temperature for 20 minutes. Following incubation, the transfection reagent/DNA mixture complex was added to cells in the T175 flask and the cells were incubated at 37° C. in 5% CO2 for 18 h (O/N).
9788	1	Biochemical Assay	Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 micromolar (M) EDTA and 0.01% TWEEN-20 , final concentration, was used as the assay buffer. The LDHA reagent was 2 nanomolar (nM) Human LDHA (Meridian Life Science, Inc., Memphis, Tenn.), final concentration, in assay buffer. The substrate reagent was 0.06 mM NADH and 0.2 mM sodium pyruvate, final concentration, in assay buffer. The resazurin/diaphorase coupling reagent was 0.037 mM resazurin and 0.133 milligrams per milliliter (mg/mL) diaphorase, final concentration, in assay buffer. 
9789	1	Enzyme Inhibition Assay	Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino acids 831-1132, AstraZeneca R&D Boston), or JAK3 (amino acids 781-1124, AstraZeneca R&D Boston) under buffer conditions of 50 mM HEPES pH 7.3, 1 mM DTT, 0.01% Tween-20, 50 &#956;g/ml BSA, and 10 mM MgCl2. JAK enzyme was expressed as N-terminal GST fusion in insect cells and purified by glutathione-affinity and size-exclusion chromatographies. Enzymes were assayed at their approximated high end of physiological ATP concentration of 5 mM, in the presence of inhibitor dosed at 30, 3, 0.3, 0.03, 0.003 and 0 &#956;M final test concentrations.For JAK1, 4 nM of enzyme was incubated with 1.5 &#956;M peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2 (SEQ ID NO:1), Intonation, Boston, Mass.). For JAK2, 0.3 nM enzyme was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.), For JAK3, 0.1 nM enzyme was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NII2 (SEQ ID NO:2), Intonation, Boston, Mass.). Phosphorylated and unphosphotylated peptides were separated and quantified by a Caliper LC3000 system (Caliper Life Sciences, MA) for calculating percent inhibition.
9790	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [&#947;-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK) (SEQ ID NO:1)).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).
9791	1	Biochemical Assay 	5 &#956;l WT full length PAICS (final assay concentration, fac, 2.5 nM) in basic buffer, added to black, non-binding, 384-well plates (Corning #3575), columns 1 to 22. 5 &#956;l basic buffer was added to columns 23+24 (negative control). PAICS stock at 31.9 &#956;M from the PI&#39;s lab (Steve Firestine). Basic buffer contained 50 mM Tris-HCl pH8 and 0.5 mM EDTA, fac.1 &#956;l compound in 100% DMSO added per well, or 1 &#956;l 100% DMSO to positive controls (columns 1+2) and negative controls (columns 23+24). Final assay top concentration of compound either 1 mM or 30-&#956;M, serially diluted with half-log dilutions across the plate in duplicate (one 10-point concentration response curve across wells 3 to 12, another across 13 to 22). Compounds pre-incubated with PAICS enzyme for 30 mins at RT. 2 &#956;l CAIR added (fac 10 &#956;M) in basic buffer plus 25 mM MgCl2 and 50 mM KHCO3 fac to all wells. CAIR stock 50 mM from Steve Firestine&#39;s lab. 1 hr RT incubation for AIR-CAIR equilibration. NB: 50% CAIR is decarboxylated during equilibration therefore 5 &#956;M remains for the synthetase reaction.2 &#956;l ATP/aspartic acid added (fac 30 &#956;M/180 &#956;M) in reaction buffer to all wells. 30 mins RT incubation for appropriate level of ATP turnover. Reaction buffer contained basic buffer plus 10 mM DTT, 0.01% BSA and 0.01% Brij 35, fac.10 &#956;l ADP detection reagent added to all wells (as per instructions, Transcreener ADP2 FI kit, BellBrook Labs #3013-10K). Incubation for 1 h at RT to allow antibody equilibration. Fluorescence intensity determined using a Tecan Safire2 (excitation at 590 nm, emission at 617 nm).
9792	1	Enzymatic Activity Assay 	The activity of recombinant human PI3K&#947; ((aa144-1102)-6His) and PI3K&#945;, &#946;, &#948; (6-His(p110-p85&#945;)) was determined by measuring the ADP level after phosphorylation of DiC8-PIP2 using a commercially available ADP-Glo kit from Promega. The assay was carried out in white low volume 384 well plates in a final volume of 14 &#956;l at R.T. The assay conditions contained the following: 50 mM Tris buffer pH 7.4, 2.1 mM DTT, 3 mM MgCl2, 0.05% CHAPS, 20 &#956;M ATP, 80 &#956;M DiC8-PIP2 and 1.2 nM PI3K&#945;, &#946;, &#947; or 0.6 nM PI3K&#948;. Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically 0.1 &#956;M for &#948; or &#947; and 33 &#956;M for a or 1) was tested and the pIC50 determined using a 4-parameter logistic equation in a non-linear curve fitting routine. Routinely, inhibitors were pre-incubated with 3 &#956;l of enzyme for 15 min prior to the addition of 2 &#956;l substrate mixture for a further 60 min enzyme reaction. The phosphorylation was stopped with the addition of 3 &#956;l ADP-Glo reagent (stop solution) followed by a 40 min incubation. Prior to detection 6 &#956;l of ADP-Glo Kinase Detection Reagent was added and the plates were read in a micro plate reader using a Luminescence filter. All additions were followed by a short centrifugation step.
9793	1	In Vitro Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 pL aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, I pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 pL of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
9794	1	Binding Assay	The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation:1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates.2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes.3. Dispense 6 &#956;L of the 1×AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours.5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.
9795	1	Inhibitory Activity Assay	Two-fold dilution of each test compound solution (10 &#956;M, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ten-fold dilution of each the test compound solution (100% dimethyl sulfoxide) with deionized distilled water, 10 &#956;L of the diluted each mpound solution (10% dimethyl sulfoxide) was aliquoted to a black flat bottom 96-well plate (Costar 3915). 50 &#956;L of 1.6× Assay solution (224 mM NaCl, 80 mM Tris-HCl (pH 8.0), 8 mM KCl, 1.6 mM CaCl2, 1.6 mM MgCl2, and 1.6 mg/mL fatty acid free BSA) was added thereto, and subsequently 20 &#956;L of 20 nM human ENPP2 solution (buffer solution: 140 mM NaCl, 50 mM Tris-HCl (pH 8.0), 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mg/mL fatty acid free BSA) and 20 &#956;L of 5 &#956;M FS-3 solution (buffer solution:deionized distilled water) were added thereto, respectively, followed by mixing. Under reaction for 30 minutes at 37° C., fluorescence intensity measurement (Ex: 485 mm, Em: 528 mm) was carried out at every 5 minutes by Envision Xcite Multilabel Reader. &#916;CFU30 min value (CFU value measured at 30 minutes&#8722;CFU value measured at 0 minute) is obtained for each test solution and based on the equation of 100&#8722;(&#916;CFU30 min of test solution/Mean value of &#916;CFU30 min of control group)×100, the inhibitory activity percentage ratio (i.e., % inhibition) is obtained
9796	1	Enzyme Inhibitory Activity	JAK3 and BTK kinase inhibitory activities were measured for the compounds prepared in the above Examples through in vitro analysis on the ADP Glow (Glo) platform.Specifically, the inhibitory activities of JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase assay kit (Promega, V9071) which were purchased from Promega. Recombinant purified human JAK3 and BTK were diluted with 1×kinase reaction buffer (JAK3: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 uM DTT/BTK: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 2 mM MnCl2 and 50 uM DTT) and added to a 96 well plate (JAK3: final concentration of 4 ng per reaction/BTK: final concentration of 8 ng per reaction). The compounds were treated so as to be finally a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (JAK3: final concentration of 5 uM/BTK: final concentration of 10 uM) and 0.2 &#956;g/&#956;L of Poly(Glu4, Tyr1) peptide (JAK3 and BTK final concentration) in the total 254 reactants was added to a 96-well plate to initiate enzymatic reaction. After incubation (30° C.) for 1 hour, equivalent volume (254 per reaction) of ADP Glo was added and incubated (30° C.) for 40 minutes at room temperature. Then, a kinase detection reagent (504 per reaction) was added and incubated (30° C.) for 30 minutes at room temperature. The kinase activity was measured by chemiluminescence according to the instructions of ADP Glo kinase assay kit, and the inhibitory activity of the compounds according to the present invention was calculated. 
9797	1	Radiolabel Binding Assay	A stock concentration of 5 nM 3H-1,3-di-(2-tolyl)guanidine (3H-DTG) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 &#956;l of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and Haloperidol positive control reference compound serial dilutions are added.
9798	1	Factor B Assay	CVF-Bb complex is prepared from purified cobra venom factor (1 &#956;M); human Complement factor B and human Complement factor D are available from a commercial source (Complement Technology, Tyler, Tex.). CVF-Bb complex at 3 nM concentration is incubated with test compound at various concentrations for 10 minutes at room temperature in PBS pH 7.4 containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human Complement C3 substrate (Complement Technology, Tyler, Tex.) is added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction is stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, is quantified by means of an enzyme-linked-immunosorbent assay (Quidel, San Diego, Calif.) and/or denaturing gel electrophoresis (SDS-PAGE). IC50 values are calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration.
9799	1	PRMT5 Biochemical Assay	A histone H4 derived peptide is used as substrate (amino acid sequence: Ser-Gly-Arg-Gly-Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-NH2). Full-length PRMT5 enzyme (NCBI Reference sequence NP_006100.2) was co-expressed with His6-MEP50 in insect cells and purified via Nickel immobilized metal affinity and gel filtration chromatography ( the enzyme ).The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode. IC50 values were obtained from the raw readings by calculating percent inhibition (%1) for each reaction relative to controls on the same plate (% I=(I&#8722;CN)/(CP&#8722;CN) where CN/CP are the averages of the negative/positive reactions, respectively), then fitting the % I data vs. compound concentration [I] to % l=(A+((B&#8722;A)/(1+((C/[I]){circumflex over (&#8195;)}D)))) where A is the lower asymptote, B is the upper asymptote, C is the IC50 value, and D is the slope.
9802	1	Caliper Enzyme Assay	Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
9803	1	HTRF Kinease-TK Assay	The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained 5 nM wild type ROS1 (SignalChem Cat. No. R14-11G), 5 nM G2032R ROS1 (SignalChem Cat. No. R14-12BG), 5 nM L2026M ROS1 (Array Biopharma, p1965), or 5 nM D2033N ROS1 (Array Biopharma, p1994). Each kinase is incubated with 250 nM TK-substrate biotin (CisBio, Cat. No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM MOPS [pH 7.4], 5 mM MgCl2, 0.005% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were prepared in a four-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 120-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.3 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (CisBio, Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC is determined using no test compound and 0 POC is determined in the absence of enzyme. 
9804	1	Binding Assay	A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer (SEABLOCK (PIERCE), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SEABLOCK, 0.17× phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% TWEEN 20). The beads were re-suspended in elution buffer (1× phosphate buffered saline, 0.05% TWEEN 20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The VEGFR2 concentration in the eluate was measured using qPCR.
9805	1	Enzyme Assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). 
9806	1	High Throughput Fluorescence Displacement Assay 	FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 &#956;g), NBD-stearate (1 &#956;M), and a competitor test compound were incubated in 30 mM Tris-HCl, 100 mM NaCl buffer (pH 7.6). Competitors included arachidonic acid, BMS309403, 48 test compounds from ChemDiv library, Compound 26 and Compound 49. The initial assay was run with buffer (30 mM Tris-HCl buffer), negative controls (buffer and NBD-stearate), positive controls (buffer, NBD-stearate, FABP5), and experimental wells with a variable test compound added (arachidonic acid or one of the 48 test compounds) at 10 &#956;M. Test compounds that produced high inhibition and proved statistically significant were then added to the fluorescent assay at 10 &#956;M and tested in triplicate to verify their success. The most effective test compound and BMS309403 were measured in increasing concentrations (0.01-50 &#956;M), as were the Compound 26 and &#947;-truxillic acid 1-naphthyl ester, which were discovered following the test. The fluorescent assays were tested in the wells of Microtest 96-well Assay Plates, Optilux (BD Biosciences, Franklin Lakes, N.J.) and loss of fluorescence intensity was measured with a FLUOstar OPTIMA spectrofluorometer set to excitation and emission wavelengths of 460 nm and 544 nm, respectively. For the most effective test compounds, IC50 values were calculated with GraphPad Prism. GraphPad Prism was also used to determine the Ki of these select competitors from the equation Ki=IC50/(1+([NBD-stearate]/Kd)). 
9807	1	In vitro biochemical assay for USP30 enzyme	The in vitro assay for USP30 evaluates the ability of a test compound to inhibit the activity of the enzyme to cleave ubiquitin from a substrate. Ubiquitin-rhodamine 110 is a quenched, fluorescent substrate for USP30. Cleavage of the amide bond between the C-terminal glycine of ubiquitin and rhodamine results in an increase in rhodamine fluorescence at 535 nm (Exc. 485 nm). While the di-substituted rhodamine moiety in Ub-Rho110-G is essentially non-fluorescent, cleavage results in a monosubstituted rhodamine, Rho110-G, which exhibits intense fluorescence when excited at 485 nm.The activity of USP30 was validated by determining the increase in fluorescence measured as a result of the enzyme catalyzed cleavage of the fluorogenic substrate Ubiquitin-Rhodamine110-Glycine generating Ubiquitin and Rhodamine110-Glycine. Incubation of the substrate in the presence or absence of USP30 was compared to confirm the deubiquitylating activity of USP30. The USP30 enzyme assay was performed by pre-incubating 20 nM of USP30 with varying concentration of a test compound in the assay buffer [PBS (pH 7.4), 1 mM DTT, 0.01% Tween 20, 0.01% BSA, DMSO final concentration is 1%] for 15 mins at room temperature, following which 100 nM of substrate Ub rhodamine was added and incubated at room temperature for 2 hrs and the plate was read for fluorescence intensity at Ex. 485 nm/535 nm in VICTOR X5 plate reader. The percent inhibition of activity of the enzyme is calculated by comparing counts in the presence and absence of compounds.Test compounds were screened at various concentrations (10-12 tested concentrations) and dose response curves were generated was generated using GraphPad Prism software Version 7 (San Diego, Calif., USA) with non-linear regression curve fit for sigmoidal dose response (variable slope).
9808	1	Kinase Assay	c-abl kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/&#956;l) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Abltide (0.01 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (50 mM HEPES, 7.5; 10 mM MgCl2; 1 mM EGTA; 0.05% BSA; 0.01% Tween-20; 2 mM DTT.). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 30-min. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. 
9808	2	Kinase Assay	c-Kit kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Poly (4:1 Glu, Tyr) (250 ng/&#956;l) and 5 &#956;L of ATP (250 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 2 mM MnCl2; 50 &#956;M DTT.). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 2 hr. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at 30° C. for 45 min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30 min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
9808	3	Kinase Assay	PDGFR&#945; kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, Recombinant human PDGFR&#945; (40 ng) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Poly (4:1 Glu, Tyr) (0.5 &#956;g/&#956;l) and 5 &#956;L of ATP (125 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 &#956;M DTT.). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 1 hr. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 45 min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
9809	1	Inhibition Assay	Data obtained for the Example compounds, obtained using the methods described in Example B.
9810	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue # #6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control.
9811	1	Inhibitory Activity Assay	LSD1: A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the mixture was reacted at room temperature for 60 min. Biotin-histone H3 mono methylated K4 peptide solution (NH2-ART(me-K)QTARKSTGGKAPRKQLAGGK(Biotin)-CONH2) was added to start the reaction. After reaction at room temperature for 5 min, 2-PCPA solution was added to terminate the reaction. A detection solution (800 mM potassium fluoride, 0.1% BSA) containing europium-labeled anti-histone H3 antibody (Wako Pure Chemical Industries, Ltd.) and Streptavidin-XL665 (Cisbio) was further added, and the mixture was left standing for 60 min. A time-resolved fluorescence (excitation 320 nm, emission 615 nm, 665 nm) was measured by Envision (PerkinElmer). The LSD1 inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the LSD1 enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and LSD1 enzyme non-addition conditions is indicated as blank. 
9811	2	Inhibitory Activity Assay	The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-A inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-A enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-A enzyme non-addition conditions is indicated as blank. 
9811	3	Inhibitory Activity Assay	The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldrich Co. LLC.), and the mixture was reacted at room temperature for 15 min. MAO substrate (Promega KK) was added to start the reaction. After reaction at room temperature for 60 min, Luciferine detection reagent (Promega KK) (50 &#956;L) was added to terminate the reaction. After reaction at room temperature for 20 min with stirring, the luminescence was measured by Envision (PerkinElmer). The MAO-B inhibitory rate (%) of the test compound was calculated by the following formula.inhibitory rate (%)=(1&#8722;(test compound count&#8722;blank)÷(control&#8722;blank))×100The count of the MAO-B enzyme reaction mixture under compound non-addition conditions is indicated as control, and the count under compound non-addition and MAO-B enzyme non-addition conditions is indicated as blank. 
9812	1	Enzyme-Linked Immunosorbent Assay (ELISA)	EZH2Y641F: PRC2 complex experimental method: Experimental method: PRC2 complex (EZH2 Y641F/EED/SUZ12/RbAp48/AEBP2), H3(1-50) me1 substrate, methyl donor SAM and a compound were added into each well. The total reaction system was 104. Reaction was conducted in darkness at room temperature for 4 h. 5&#965;1 Eu-labeled H3K27 Me3 antibody and 5&#965;1 Streptavidin-XL665 were added into each well, mixed well and incubated for 1 h at room temperature, and fluorescence was measured at 620 nm and 665 nm with multi-label microplate assay system (PerkinElmer Envision), and the HTRF signal ratio per well (665 nm/620 nm) was calculated. The IC50 values of the compounds were calculated using SoftMax Pro 5.4.1 software.
9812	2	Enzyme-Linked Immunosorbent Assay	EZH2 wild type: Experimental method: avdin of a final concentration of 100 nM was used to coat 96-well plate at 10 &#956;L/well, placed in a wet box and shaken overnight, and then 100 &#956;L 3% BSA per well was added and blocked for 1 h at room temperature. PRC2 complex (EZH2/EED/SUZ12/RbAp48/AEBP2), H3 (21-44) me0 substrate, methyl donor SAM and compound were added into each well of the blocked 96-well plate. The total reaction system was 100 &#956;L, placed in a wet box and allowed to react for 1 h on shaker at room temperature. The plate was washed with TBS-T [20 mM Tris-HCl (pH 7.2-7.4, room temperature), 150 mM NaCl, 0.1% (v/v) Tween-20] for 3 times, blocked with 3% BSA for 10 min, and anti-H3K27me3 antibody was added and incubated for 1 h in a wet box on shaker at room temperature. The plate was washed again with TBS-T for 3 times, and blocked with 3% BSA per well for 10 min. Horseradish peroxidase-labeled secondary antibody was added and reacted in a wet box at room temperature for 1 h, and finally, washed with TBS-T for 3 times. 2 mg/ml OPD color developing solution (1004/well) was added for coloring, and the reaction was stopped with 2M H2SO4 (50 &#956;L/well). The plate was read by a plate reader at 490 nm and IC50 of the compound was calculated using SoftMax Pro 5.4.1 software.
9813	1	Enzymatic Assay	Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 2 nM DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 2% DMSO at pH 8.0 at 32 degree Celsius. The reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH enzyme was purchased from Novus (cat. no. NBP1-98916). Other chemicals were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a BMG clarion star plate-reading spectrophotometer.
9813	2	Enzymatic Assay	Assay 2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in aqueous buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 0.4 &#956;g/mL DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 0.17% DMSO at pH 8.0 at room temperature. Compounds were added via pin transfer or via D300 digital dispenser, and the reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH (full-length, C-terminal MYC/DDK-tag) enzyme was purchased from Origene (cat. no. TP039034). Other chemicals, including leflunomide and teriflunomide, were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a Molecular Devices Spectramax M5 plate-reading spectrophotometer.
9814	1	Histone Demethylase Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1×LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
9815	1	Biological Assays	All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in hman et al. (Protein Expression and Purification 46 (2006) 321-331). In addition, secondary- and selectivity assays were performed using SSAO prepared from various tissues or purified rat recombinant SSAO. The enzyme activity was assayed with benzylamine as substrate by measuring either benzaldehyde production, using 14C-labeled substrate, or by utilizing the production of hydrogen peroxide in a horseradish peroxidase (HRP) coupled reaction. Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration &#8804;2%.
9816	1	Receptor Activity Assay	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGuR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGuR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. Approximately two and a half minutes later, a concentration of mGuR4 orthosteric agonist (e.g. glutamate or L-AP4) eliciting approximately 20% (EC20) of the maximal agonist response was added to the cells, and the response was measured. Two minutes later, a concentration of mGluR4 agonist (e.g. glutamate or L-AP4) eliciting 80% (EC80) of the maximal agonist response was added to the cells, and the response was measured. For rat mGuR4/GIRK experiments, a baseline was established for approximately five seconds, disclosed compounds were added, and either an EC20 or EC80 concentration of agonist was added approximately two and one half minutes later. 
9817	1	Caliper Assay	Tyk2 & JAK2: The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics technology. The assays are carried out at ATP concentration equivalent to the ATP Km, and at 1 mM ATP. Compounds are serially diluted in DMSO then further diluted in assay buffer (25 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% Triton, 0.5 mM EGTA). 5 ul of diluted compound was added into wells first, then 10 ul of enzyme mix was added into wells, followed by 10 uL of substrate mix (peptide and ATP in 10 mM MgCl2) to start reaction. Reaction was incubated at 28° C. for 25 min and then added 25 ul stop buffer (100 mM HEPES, 0.015% Brij-35, 50 mM EDTA), followed by reading with Caliper. JAK2 at 1 nM final concentration and TYK2 at 9.75 nM are from Carna, and substrates used are ATP at 20 and 16 uM, respectively. JAK2 assay uses peptide 22 and TYK2 uses peptide 30 (Caliper), each at 3 uM.
9818	1	Surface Plasmon Resonance (SPR) Binding	Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM KCl, 25 mM Hepes (pH 7.5), 1 mM TCEP, 2.5 mM MgCl2, 5% (v/v) glycerol, 0.005% (v/v) P20, 1% (v/v) DMSO running buffer. The recombinant protein immobilized on the streptavidin chip was either human WT or H232R STING. A truncated construct of STING was used in all studies. The STING constructs were comprised of residues 155-341 with both N- and C-terminal truncations; the N-terminal transmembrane domains were removed (1-154), as well as the C-terminal tail (342-379). A highly specific N-terminal biotinylation was achieved enzymatically with the E. coli biotin ligase (BirA) and inclusion of the high-affinity biotinylation peptide AviTag . A Carboxymethylated dextran pre-immobilized with streptavidin (series S Streptavidin CM5 Sensor Chip) was used to capture the biotinylated STING protein. Test compound injections were made at a flow rate of 100 &#956;l per minute with a 60 second association time and variable dissociation time. A three-fold dilution series from a 10 &#956;M starting concentration was used for all test compounds. Data analysis was performed using the BiacoreT200 data evaluation software package (GE Healthcare). 
9818	2	Radioligand Binding Assay	A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING ligand, 3H-cyclic guanine (2&#8242;,5&#8242;) monophosphate adenine (3&#8242;,5&#8242;) monophosphate (3H-cGAMP). The STING constructs (WT and H232R) were comprised of residues 155-341 with both N- and C-terminal truncations; the N-terminal transmembrane domains were removed (1-154), as well as the C-terminal tail (342-379). A highly specific N-terminal biotinylation was achieved enzymatically with the E. coli biotin ligase (BirA) and inclusion of the high-affinity biotinylation peptide AviTag . 100 nM STING protein was immobilized on 20 &#956;g streptavidin polyvinyl toluene (SA-PVT) beads in 150 mM NaCl, 25 mM Hepes (pH 7.5), 0.1 mM EDTA, 1 mM DTT, 0.005% (v/v) Tween-20, 1% (v/v) DMSO. 100 nM 3H-cGAMP and compounds were added and allowed to come to equilibrium at room temperature (20 min). Compounds were tested in three-fold dilution series from a 100 &#956;M starting concentration and normalized to a positive control compound that completely blocked 3H-cGAMP binding and the negative control DMSO. 
9800	1	Kinase Inhibiting Activity Assay	Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required cofactors are added individually to each kinase reaction Reaction Procedure: (i) Prepare indicated substrate in freshly prepared Base Reaction Buffer (ii) Deliver any required cofactors to the substrate solution above (iii) Deliver indicated kinase into the substrate solution and gently mix (iv) Deliver compounds in DMSO into the kinase reaction mixture (v) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) into the reaction mixture to initiate the reaction. (vi) Incubate kinase reaction for 120 minutes at room temperature (vii) Reactions are spotted onto P81 ion exchange paper (Whatman #3698-915) (viii) Wash filters extensively in 0.1% phosphoric acid. (ix) Dry filters and measure counts in scintillation counter Kinase Information: CHK-1H Genbank Accession # AF016582 Recombinant full length construct, N-terminal GST tagged, purified from insect cells. No special measures were taken to activate this kinase. Final concentration in assay=0.5 nM Substrate: CHKtide Peptide sequence: [KKKVSRSGLYRSPSMPENLNRPR] Final concentration in assay=20 &#956;M No additional cofactors are added to the reaction mixture
9801	1	Fluorescence Polarization	Assay buffer (25 &#956;L, 20 mM HEPES pH 7.3, 50 mM KCl, 5 mM MgCl2, 1 mM DTT, 20 mM Na2MoO4, 0.01% NP-40, and 0.5 mg/mL BGG) was added to 96-well plate (black well, black bottom) followed by the desired compound at the indicated final concentrations in DMSO (1% DMSO final concentration). Recombinant cGrp94 (10 nM for compounds 2-27, 30 nM for compounds 28-48) and FITC-GDA were then added (6 nM). Plates were incubated with rocking for 5 h at 4° C. Fluorescence was determined using excitation and emission filters of 485 and 528 nm, respectively. Percent FITC-GDA bound was determined by using the DMSO millipolarization unit (mP) as the 100% bound value and the 0% for FITC-GDA. Kd values were calculated from separate experiments performed in triplicate using GraphPad Prism.
9819	1	ThermoFluor Assay	ThermoFluor experiments were carried out using instruments owned by Janssen Research and Development, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation. Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1° C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500±25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature.
9820	1	In Vitro Activity Assay	In vitro activity evaluation: Cisbio PD-1/PD-L1 binding assay kit was applied for the detection method of in vitro enzymology level.Screening Principles and Methods of PD-1/PD-L1 Small Molecule Inhibitors1) Principle: PD-1 protein is with HIS tag, and PD-1 ligand PD-L1 is with hFc tag. Eu labeled anti-hFc antibody and XL665 labeled anti-HIS antibody are combined with the above two label proteins respectively. After laser excitation, energy can be transferred from donor Eu to receptor XL665, allowing XL665 to glow. After adding inhibitors (compounds or antibodies), blocking the binding of PD-1 and PD-L1 makes the distance between Eu and XL665 far away, the energy can not be transferred, and XL665 does not glow.2) Experimental method: The specific method can be referred to Cisbio&#39;s PD-1/PD-L1 Kit (item 64CUS000C-2). Reagents should be dispensed in the following order. For 384-well white ELISA plate, 2 &#956;l of diluent or target compound diluted with diluent was added to each well, and then 4 &#956;l of PD-1 protein and 4 &#956;l of PD-L1 protein were added per well, incubated for 15 min at room temperature; and 10 &#956;l of a mixture of anti-Tag1-Eu3+ and anti-Tag2-XL665 was added per well and incubated for 1 h to 4 h at room temperature and the fluorescence signals at 665 nm and 620 nm were measured with an Envison instrument. HTRF rate=(665 nm/620 nm)*104. 8-10 concentrations were detected for each compound and IC50 was calculated by Graphpad software.
9821	1	Biochemical Activity Assay	Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold serial dilution). Reaction was initiated upon the addition of 5 &#956;L of 2× enzyme mix to wells containing 5 &#956;L of 2× substrate mix. Low control wells contained 5 &#956;L of buffer instead of enzyme. Following a 40 minute incubation, the reaction was quenched upon the addition of 10 &#956;L of stop mixture containing 1 mM SAM (Sigma A7007) and 2 mg/mL PEI beads (Perkin Elmer RPNQ0098). Plates were sealed, centrifuged for 1 min and then read on a Viewlux (Perkin Elmer) using the 613 nm emission filter/300 s read time following a 30 minute dark adapt. Assay conditions prior to quench consisted of 40 nM DNMT1 (601-1600, produced internally), 100 nM 3H-SAM (American Radiolabeled Chemicals ART 0288), 900 nM SAM (New England BioLabs B9003S) and 200 nM hemi methylated DNA oligonucleotide (synthesized at Integrated DNA Technologies, 5&#8242;-CCTCTTCTAACTGCCATSGATCCTGATAGCAGGTGCATGC-3&#8242;) in 50 mM HEPES (pH 8.0), 2 mM MgCl2, 1 mM DTT, 0.01% NP-40 and 0.01% BSA.
9822	1	ThermoFluor Assay	For the ROR&#947;t construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&#947;t, transcript variant 2, NCBI Accession: NM 001001523.1 (SEQ ID NO:1). Nucleotides 850-1635 (SEQ ID NO:2) coding for the wild type human ROR&#947;t ligand binding domain (ROR&#947;t LBD) were cloned into the pHIS1 vector, a modified pET E. coli expression vector (Accelagen, San Diego), containing an in-frame N-terminal His-tag and a TurboTEV protease cleavage site (ENLYFQG, SEQ ID NO:3) upstream of the cloned insert sequence. The amino acid sequence for the ROR&#947;t construct used in the Thermofluor assay is shown as SEQ ID NO:4.ThermoFluor experiments were carried out using instruments owned by Janssen Research and Development, L.L.C. through its acquisition of 3-Dimensional Pharmaceuticals, Inc. 1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation.
9823	1	Protein Kinase Assay	This buffer consisted of 50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mg ml&#8722;1 bovine serum albumin and 0.1% (vol/vol) 2-mercaptoethanol.10× Concentrated Assay Buffer.An assay buffer of 500 mM Tris-HCl, pH 7.5, 1 mM EGTA, and 100 mM magnesium acetate was used for assay of a wide variety of protein kinases. In some experiments, other cofactors were included (e.g., calcium ions and calmodulin were included for assay of calcium-calmodulin-dependent protein kinases). In some cases, the pH of the buffer was changed (e.g., phosphorylase kinase had an optimum pH of 8.6).1 mM [&#947;-32P] ATP.The specific activity of the [&#947;-32P] ATP solution was 1×105 to 1×106 c.p.m. per nmol depending on what was needed to produce an optimal signal/noise ratio. Stocks of nonradioactive ( cold ) ATP were dissolved in 10 mM HEPES, and the pH of the resulting stock solutions was adjusted to 7.4. To measure the concentration of ATP, a sample of such a stock solution was diluted to 20 &#956;M, and the absorbance of the diluted sample was measured at 259 nm. The absorbance of a 20-&#956;M stock solution of ATP at 259 nm was about 0.31. The 1-mM solution of cold ATP was spiked with [&#947;-32P] ATP to produce a radioactivity of 1×105 to 1×106 c.p.m. per nmol.
9824	1	Enzyme Activity Assay	The PHD enzymatic assay was performed in 0.5 ml of reaction mixture containing the following: purified PHD2181-417 polypeptide (3 &#956;g), synthetic HIF-1&#945; peptide comprising residues [KNPFSTGDTDLDLEMLAPYIPMDDDFQLRSFDQLS](10 &#956;M, California Peptide Research Inc., Napa, Calif.), and [5-14C]-2-oxoglutaric acid (50 mCi/mmol, Moravek Chemicals, Brea, Calif.) in reaction buffer (40 mM Tris-HCl, pH 7.5, 0.4 mg/ml catalase, 0.5 mM DTT, 1 mM ascorbate) for 10 minutes. Compounds were pre-incubated for 30 min before starting the reaction (all test compounds were dissolved at 10 mM in 100% DMSO (w/v) and were tested with final compound concentrations at 100 &#956;M in 1% DMSO (w/v)). The reaction was stopped by addition of 50 &#956;l of 70 mM H3PO4 and 50 &#956;l of 500 mM NaH2PO4, pH 3.2. Detection of [14C]-succinic acid was achieved by separating from [5-14C]-2-oxoglutaric acid by incubating the reaction mixture with 100 &#956;l of 0.16 M DNP prepared in 30% perchloric acid. Next, 50 &#956;l of unlabeled 20 mM 2-oxoglutaric acid/20 mM succinic acid, serving as carrier for the radioactivity, was added to the mixture, and was allowed to proceed for 30 minutes at room temperature. The reaction was then incubated with 50 &#956;l of 1 M 2-oxoglutaric acid for 30 additional minutes at room temperature to precipitate the excess DNP. The reaction was then centrifuged at 2800×g for 10 minutes at room temperature to separate [14C]-succinic acid in the supernatant from the precipitated [14C]-dinitrophenylhydrazone. Fractions of the supernatant (400 &#956;l) were counted using a beta counter (Beckman Coulter, Fullerton, Calif.). Inhibition of PHD2181-417 activity was measured as a decrease in [14C]-succinic acid production. 
9825	1	Biochemical Assay	A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column1) add 2×r×n buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l.
9826	1	In-Vitro Fluorescence Polarization Assay	The fluorescence polarization assay tests the ability of compounds to inhibit the self-aggregation of &#945;-synuclein peptide fragments. Peptides were incubated for 120 min at room temperature in the presence or absence of test compounds (compound concentrations were 33.3 to 0.015 &#956;M). Samples were read on a Beckman Coulter DTX 880 plate reader in fluorescence polarization mode using excitation at 485 nm and emission at 520 nm. Data was analyzed using a four-parameter logistic fit (XLFit, IDBS Software). Peptide 4F (CTGFVKKDQLGK (SEQ ID NO: 1)) was prepared by American Peptide. Fresh peptide samples were reconstituted in purified water at 5 mM and diluted into 50 mM HEPES pH 7.4 with 50 mM NaCl to 100 nM final concentration. Solid compounds were dissolved in DMSO (10 mM), and then diluted serially in DMSO (300×) followed by dilution in buffer (1×) to provide solutions with a consistent final DMSO concentration of 0.33%. 
9827	1	ThermoFluor Assay	1,8-ANS (Invitrogen) was used as a fluorescent dye. Protein and compound solutions are dispensed into black 384-well polypropylene PCR microplates (Abgene) and overlayed with silicone oil (1 &#956;L, Fluka, type DC 200) to prevent evaporation.Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1° C./min for all experiments. Fluorescence was measured by continuous illumination with UV light (Hamamatsu LC6) supplied via fiber optic and filtered through a band-pass filter (380-400 nm; >6 OD cutoff). Fluorescence emission of the entire 384-well plate was detected by measuring light intensity using a CCD camera (Sensys, Roper Scientific) filtered to detect 500±25 nm, resulting in simultaneous and independent readings of all 384 wells. Images were collected at each temperature, and the sum of the pixel intensity in a given area of the assay plate was recorded versus temperature. Reference wells contained ROR&#947;t without compounds, and the assay conditions were as follows: 0.065 mg/mL ROR&#947;t 60 &#956;M 1,8-ANS 100 mM Hepes, pH 7.0 10 mM NaCl 2.5 mM GSH 0.002% Tween-20
9828	1	Biochemical Kinase Assay	The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detection step. Firstly, ATM (ataxia telangiectasia mutated) protein and the test substance are incubated at different concentrations with addition of substrate protein p53 and ATP. ATM mediates the phosphorylation of p53 at several positions, including at amino acid S15. The amount of phosphorylated p53 is determined with the aid of specific antibodies and the TR-FRET technique. The enzymatic ATM assay is carried out as TR-FRET (HTRF , Cisbio Bioassays) based 384-well assay. In the first step, purified human recombinant ATM (human ATM, full length, GenBank ID NM_000051, expressed in a mammal cell line) is incubated in assay buffer for 15 minutes with the ATM inhibitor in various concentrations and without test substance as negative or neutral control. The assay buffer comprises 25 mM HEPES pH 8.0, 10 mM Mg(CH3COO)2, 1 mM MnCl2, 0.1% BSA and 0.01% Brij 35, 5 mM dithiothreitol (DTT). The test-substance solutions were dispensed into the microtitre plates using an ECHO 555 (Labcyte). In the second step, purified human recombinant cmyc-labelled p53 (human p53, full length, GenBank ID BC003596, expressed in Sf21 insect cells) and ATP are added, and the reaction mixture is incubated at 22° C. for 30-35 minutes. The pharmacologically relevant assay volume is 5 &#956;l. The final concentrations in the assay during incubation of the reaction mixture are 0.3-0.4 nM ATM, 50-75 nM p53 and 10 &#956;M ATP. The enzymatic reaction is stopped by addition of EDTA. The formation of phosphorylated p53 as the result of the ATM-mediated reaction in the presence of ATP is detected via specific antibodies[labelled with the fluorophorene europium (Eu) as donor and d2 as acceptor (Cisbio Bioassays)] which enable FRET. 2 &#956;l of antibody-containing stop solution (12.5 mM HEPES pH 8.0, 125 mM EDTA, 30 mM sodium chloride, 300 mM potassium fluoride, 0.1006% Tween-20, 0.005% Brij 35, 0.21 nM anti-phospho-p53(ser15)-Eu antibody and 15 nM anti-cmyc-d2 antibody) are added to the reaction mixture. After incubation, usually for 2 hours (between 1.5 and 15 h), for signal development, the plates are analysed in a plate reader (EnVision, PerkinElmer) using TRF mode (and with laser excitation). After excitation of the donor europium at a wavelength of 340 nm, the emitted fluorescence light both of the acceptor d2 at 665 nm and also of the donor Eu at 615 nm is measured. The amount of phosphorylated p53 is directly proportional to the quotient of the amounts of light emitted, i.e. the relative fluorescence units (RFU) at 665 nm and 615 nm.
9829	1	Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat #ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization. 
9830	1	Inhibition Mass Spectrometry Assay	1. A 10 mM test compound was dissolved in 100% DMSO and serially diluted 1 in 4. 100 nL of this dilution series was then added to a 384 well, v bottom polypropylene plate, excluding columns 6 and 18. 100 nL of DMSO was added to columns 6 and 18 as controls wells. Assay dilution gave a top final assay concentration of test compound of 100 &#956;M        2. 50 ul of 1% formic acid in laboratory grade water was added to column 18 using a multidrop combi dispenser to act as a pre stopped assay control.        3. 5 uL of enzyme solution containing 50 nM of purified recombinant Full length Flag-LRRK2 in assay buffer (50 mM Hepes (pH 7.2), 10 mM MgCl2, 150 mM NaCl, 5% glycerol, 0.0025% triton X-100 and 1 mM DTT) was added to all wells using a multidrop combi dispenser, giving a final assay concentration of 25 nM LRRK2 enzyme. This resulted in column 6 (enzyme plus DMSO) giving 0% inhibition and column 18 giving 100% inhibition (pre stopped control). Test plates were then incubated for 30 minutes at room temperature.        4. 5 uL substate solution containing 50 uM LRRKtide peptide substrate and 4 mM ATP was added to all wells of the plate using a multidrop combi dispenser giving a final assay concentration of 25 uM LRRKtide and 2 mM ATP. Test plates were then incubated for 1 hour at room temperature. (Incubation may vary depending on rate and linearity of reaction with different enzyme batches).        5. 50 ul of 1% formic acid in laboratory grade water was added to all wells (minus column 18) to quench the reaction, and plates were centrifuged at 3000 rpm for 10 minutes. Test plates were then analysed on an Agilent RapidFire High Throughput solid phase extraction system coupled to AB Sciex API 4000 triple quadropole mass spectrometer with the following setting:        RapidFire Settings:        Sip Height=2 mm, Aspirate=500 ms, Load time=3000 ms, Elution time=3000 ms, Requilibration=500 ms,        Flow rates: pump 1=1.5 mL/min, pump 2 1.25 mL/min pump 3=0.8 mL/min.
9830	2	Inhibition Mass Spectrometer	  LRRKtide Detection settings: Q1 mass 644.8 Da, Q3 mass 638.8, declustering potential 76 volts, collision energy 37 volts, CXP 34 volts        Phospho-LRRKtide Detection settings: Q1 mass 671.4 Da, Q3 mass 638.8, Declustering potential 76 volts, Collision energy 37 volts, CXP 34 volts.        A C4 cartridge was used and running buffers were: A (aqueous) 0.1% formic acid in water B (organic) 0.1% formic acid, 80% acetonitrile, 20% water        6. Data was analysed using ActivityBase software (IDBS). A percent conversion from LRRKtide to Phospho-LRRKtide was calculated using the following formula:        % conversion=(Phospho-LRRKtide product peak area/(Phospho-LRRKtide product peak area+LRRKtide substrate peak area))*100        3) Recombinant Cellular LRRK2 AlphaScreen Assay
9831	1	TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) Assay	In this assay, the potency (IC50) of each compound was determined from a ten point (1:3 serial dilution; final compound concentration range in assay from 100000 nM to 5.08 nM) titration curve using the following outlined procedure. To each well of a white Greiner 1536 Lumitrac 1536 well-plate, 50 nL of compound (100 fold dilution in final assay volume of 5 &#956;L) was dispensed, followed by the addition of 4 &#956;L of 1× assay buffer (50 mM Hepes 7.3, 0.5 mM TCEP, 0.005% Brij-35, 0.02% BSA, 50 &#956;M Na-L-Ascorbate and 2 &#956;M AmFe(II)Sulfate) containing 5 nM of Full-length KDM5B enzyme (recombinant protein from baculovirus-transfected Sf21 cells: full-length KDM5B; MW=176.825 kDa). Following a 30 minutes compound and enzyme incubation in a humidified chamber, each reaction was initiated by the addition of 1 &#956;L 1× assay buffer containing 50 nM biotinylated H3K4Me3 peptide, and 500 nM &#945;-ketoglutarate. The final reaction in each well of 5 &#956;L consists of 5 nM KDM5B, 500 nM biotinylated-peptide, and 500 nM &#945;-ketoglutarate. De-methylation reactions were allowed to proceed for 60 minutes. Reactions were immediately quenched by the addition of 5 uL of 2× Lance Detection Buffer (PerkinElmer) with 0.5 mM EDTA and 2 nM of Eu-anti-H3K4Me1-2 antibody, and 30 nM of Streptavidin-conjugated Dylight 650 detection reagents. After 60 minutes incubation with detection reagents, reaction plates were read on a PerkinElmer EnVision plate reader using standard TR-FRET protocol. Briefly, excitation of donor molecules (Eu-chelate-anti-H3K4Me1-2-antibody) with a laser light source at 337 nm produces energy that can be transferred to Dylight-650 acceptor molecules if this donor:acceptor pair is within close proximity. Fluorescence intensity at both 665 nm (acceptor) and 615 nm (donor) are measured and a TR-FRET ratio calculated for each well (acceptor intensity/donor intensity). 
9832	1	Inhibition Activity Assay	IRAP: Rat epididymal fat pads were homogenized and subjected to ultracentrifugation at 100,000×g for 30 minutes to obtain microsomes containing IRAP. The microsomes (with a total protein content of 55 &#956;g/well) were mixed with a solvent (dimethyl sulfoxide; hereinafter, abbreviated as DMSO (final concentration: 0.1%)) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution to a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous trifluoroacetic acid (hereinafter, abbreviated as TFA) solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by the logistic regression to evaluate inhibition of IRAP activity
9832	2	Inhibition Activity Assay	hP-LAP: HEK293 cells forced to transiently express hP-LAP were prepared by lipofection, homogenized, and then subjected to ultracentrifugation at 100,000×g for 30 minutes. Microsomes containing hP-LAP were thereby prepared. The microsomes (with a total protein content of 0.5 to 1.5 &#956;g/well) were mixed with a solvent (DMSO; final concentration: 0.1%) or with each test compound (common ratio: 3; maximum concentration: 10 &#956;M). AVP was then added to the solution into a final concentration of 25 &#956;M, and the resulting solution was allowed to react for one hour at 37° C. An aqueous TFA solution was then added to the solution (final concentration: 1%) to stop the enzymatic reaction. Residual AVP was then determined by mass spectrometry (MALDI-MS). Based on the results, IC50 values (nM), i.e. concentrations required for 50% inhibition of decrease in AVP level in the solvent control group, of the individual test compounds were calculated by logistic regression to evaluate inhibition of human P-LAP (hP-LAP) activity. 
9833	1	USP7 Inhibition Assay	The lyophilized compounds were re-suspended in 100% DMSO to a stock concentration of 10 mM and stored at &#8722;20° C. Where Ratesample is the initial slope of the progress curve as measured in Arbitrary Fluorescence Units per second of USP7 in the presence of compound. Ratepos is the initial slope of USP7 without a compound present and Rateneg is the baseline of substrate hydrolysis without USP7 present.The percent inhibition of USP7 at 100 &#956;M of each compound was determined prior to the determination of IC50 values. The final concentration of substrate was held constant at 200 nM and USP7 was held constant at a final concentration of 1 nM in Assay Buffer (50 mM Tris pH 7.5, 5 mM DTT, 0.1 mg/mL BSA, and 0.01% Triton X-100). From the 10 mM stock, each compound to be tested was diluted to a working concentration of 3 mM in 100% DMSO. The assay was performed as follows: 1 &#956;L of the working stock of compound was added to a Costar 96 half-volume black plate to which 15 &#956;L of USP7 was added. Plates were gently mixed and incubated at room temperature for five minutes. To initiate the reaction, 15 &#956;L of Ub-Rho 110 was added. Each assay was measured in triplicate. A negative control of Ub-Rho 110 alone was measured to evaluate the background rate. Control reactions of USP7 without compound (DMSO only) were included to measure the rate of the uninhibited USP7 reaction. All reactions contained a final concentration of 3% DMSO. The reaction progress was measured as a filter based assay in 10-second intervals for a total of 30 minutes at an excitation wavelength of 485 nm and an emission wavelength of 528 nm.
9834	1	PRMT5/MEP50 Enzyme Assays on Peptide Substrates	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of PRMT5/MEP50, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the PRMT5/MEP50 enzyme and the peptide was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with PRMT5/MEP50 for 30 min at 25 degrees Celsius, then a cocktail (10 ul) containing 3H-SAM was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: PRMT5/MEP50 was 4 nM, 3H-SAM was 75 nM, peptide was 40 nM, SAH in the minimum signal control wells was 100 uM, and the DMSO concentration was 1%. The assays were stopped by the addition of non-radioactive SAM (10 ul) to a final concentration of 600 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed three times with 0.1% Tween20 in a Biotek ELx405 &#956;late washer. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
9835	1	Test of Small Molecule Compounds for Inhibiting the Activity of VEGFR-2 Kinase	1. Dilution of the compound: a total of 12 concentrations were obtained using a 4-fold gradient dilution from the highest concentration of 10000 nM (the maximum final concentration of the drug used in this experiment is 10000 nM, and the minimum final concentration is 0.002384 nM),2. 2.5 &#956;l of the gradient-diluted compounds was taken with a transfer pipette to a 384-well plate,3. Addition of enzyme: 5 &#956;l of 2×VEGFR-2 kinase was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, which was mixed and pre-reacted at room temperature for 30 min,4. 2.5 &#956;l of 4× substrate/ATP Mix was taken with a transfer pipette to the corresponding reaction well of the 384-well plate,5. Negative control: 2.5 &#956;l/well 4× substrate/ATP Mix and 7.5 &#956;l 1× Kinase Assay Buffer were added to the wells of the 384-well plate,Positive control: 2.5 &#956;l/well 4× substrate/ATP Mix, 2.5 &#956;l/well 1× Kinase Assay Buffer containing 4% DMSO, and 5 &#956;l/well 2×VEGFR-2 solution were added to the 384-well plate. The final concentration of DMSO in the reaction system is 4%,6. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min,7. Termination of the enzymatic reaction: 5 &#956;l of 4× Stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min,8. Development of the reaction: 5 &#956;l of 4× Detection Mix was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min,9. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program,10. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compound was calculated as follows: inhibition rate (%)=[1&#8722;(experimental well reading value&#8722;negative control well reading value)/(positive control well reading value&#8722;negative control well reading value)]×100%. Processing with GraphPad Prism5 software yielded the corresponding IC50 value (the concentration of the compound at which 50% of the highest inhibition of the enzyme is achieved).
9835	2	Test of Small Molecule Compounds for Inhibiting the Activity of C-RAF and B-RAF Kinases	1. Preparation of test compounds: according to the molecular weight of the compounds, an appropriate volume of DMSO was directly added to dissolve the test compounds. For storing the compound, the concentration of DMSO is 100%, and the final concentration of DMSO in the experimental system is 1%. The compounds were 3-fold serially diluted with DMSO to obtain a total of 8 dilutions, with a maximum concentration of 1000 nM and a minimum concentration of 0.46 nM.2. Preparation of the sorafenib positive control: sorafenib, a selective inhibitor of BRAF and RAF1, was used as the positive control of this experiment, and the dilution method thereof was the same as that of the above test compounds.3. Test Conditions:Enzyme: B-RAF: 0.1 ng/l (the final concentration in the reaction system); C-RAF: 0.1 ng/&#956;l (the final concentration in the reaction system)Substrate and ATP: inactive MEKI: 2 ng/&#956;l (the final concentration in the reaction system); ATP: 35 &#956;M (the final concentration in the reaction system)HPE: the reaction without enzyme (1% DMSO)ZPE: the reaction with enzyme but without compound (1% DMSO)4. Test procedure:a) 1 ul of 10-fold diluted compound or 10% DMSO was added to a 384-well assay plate,b) 4 ul enzyme solution or assay buffer was added to the wells of the assay plate,c) the plate was centrifuged at 1000 rpm for 1 minute to homogeneous,d) 5 ul of ATP-substrate mixture was added to the wells of the assay plate,e) the plate was shaked for mixing for 2 minutes,f) the plate was incubated at 30° C. for 1 hour,g) 10 ul of ADP-Glo reagent was added to the wells of the assay plate, and the plate was incubated for 40 minutes at 27° C.,h) 20 ul of kinase assay solution was added to the wells of the plate, and the plate was incubated for 30 minutes at 27° C.,i) the chemiluminescent signal was read with Envision.5. Analysis of the results: calculation of the compound inhibition rate:Inhibition rate (%)=(control measurement without compound&#8722;sample measurement)/(control measurement without compound&#8722;control measurement without enzyme)*100%The IC50 values of the positive control compound and the test compounds were calculated using the Prism software according to the variable slope of the curve.
9836	1	JAK Caliper Enzyme Assay at 1 mM ATP	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
9837	1	MPO Chlorination (APF) Assay 	MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catalog #A36003). APF is cleaved by ( OCl) to yield the fluorescent compound fluorescein. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 120 mM NaCl to 100 nL inhibitor in 100% DMSO in a 384 well, non-binding surface clear bottom plate (CORNING #3655). Enzyme, inhibitor, and chloride were preincubated for ten minutes at rt.After the ten minute preincubation, 25 &#956;L of an APF mixture containing 10 mM APF, 120 mM NaCl and 10 &#956;M H2O2 was added to the plate using the internal dispensing system of a Hammatsu FDSS 6000. Kinetic determinations were carried out immediately on the FDSS 6000 (3 minute kinetic read, 1 read every second, ex: 485 nm, em: 535 nm). IC50 values for inhibitors were calculated by taking the slope of the linear portion of the kinetic measurement (20 seconds to 80-120 secs).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) Dwhere A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor.
9837	2	MPO Peroxidation (Amplex Red) Assay	MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog #A12222) which can be oxidized to the highly fluorescent resorufin. Amplex Red is oxidized by the peroxidase action of MPO to resorufin. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 40 nM H2O2 (Sigma #349887) to 100 nL inhibitor in 100% DMSO in a 384 well Perkin Elmer Optiplate. Enzyme and compound were preincubated for ten minutes at rt.After the ten minute preincubation, 25 &#956;L of an Amplex Red mixture containing 200 &#956;M Amplex Red and 10 mM H2O2 was added to the plate. Kinetic determinations were carried out immediately on a Perkin Elmer Envision (15 minute kinetic read, Ex: 535 nm, Em: 590 nm).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) Dwhere A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor. 
9838	1	FRET Activity Assay	Determination of a ligand mediated cofactor peptide interaction to quantify ligand binding to the nuclear receptor FXR was performed as follows.Preparation of human FXR alpha ligand binding domain: The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand binding domain was cloned into vector pDEST15 (Invitrogen). Expression was under control of an IPTG inducible T7 promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM_005123 (RefSeq). Expression and purification of the FXR-LBD: An overnight preculture of a transformed E. coli strain was diluted 1:20 in LB-Ampicillin medium and grown at 30° C. to an optical density of OD600=0.4-0.6. Gene expression was then induced by addition of 0.5 mM IPTG. Cells were incubated an additional 6 h at 30° C., 180 rpm. Cells were collected by centrifugation (7000×g, 7 min, rt). Per liter of original cell culture, cells were resuspended in 10 mL lysis buffer (50 mM Glucose, 50 mM Tris pH 7.9, 1 mM EDTA and 4 mg/mL lysozyme) and left on ice for 30 min. Cells were then subjected to sonication and cell debris removed via centrifugation (22000×g, 30 min, 4° C.). Per 10 mL of supernatant 0.5 mL prewashed Glutathione 4B sepharose slurry (Qiagen) was added and the suspension kept slowly rotating for 1 h at 4° C. Glutathione 4B sepharose beads were pelleted by centrifugation (2000×g, 15 sec, 4° C.) and washed twice in wash buffer (25 mM Tris, 50 mM KCl, 4 mM MgCl2 and 1M NaCl). The pellet was resuspended in 3 mL elution buffer per liter of original culture (elution buffer: 20 mM Tris, 60 mM KCl, 5 mM MgCl2 and 80 mM glutathione added immediately prior to use as powder). The suspension was left rotating for 15 min at 4° C., the beads pelleted and eluted again with half the volume of elution buffer than the first time. The eluates were pooled and dialysed overnight in 20 mM Hepes buffer (pH 7.5) containing 60 mM KCl, 5 mM MgCl2 as well as 1 mM dithiothreitol and 10% (v/v) glycerol. The protein was analysed by SDS-Page.The method measures the ability of putative ligands to modulate the interaction between the purified bacterial expressed FXR ligand binding domain (LBD) and a synthetic biotinylated peptide based on residues 676-700 of SRC-1 (LCD2, 676-700). The sequence of the peptide used was B-CPSSHSSLTERHKILHRLLQEGSPS-COOH (SEQ ID NO: 1) where the N-terminus was biotinylated (B). The ligand binding domain (LBD) of FXR was expressed as fusion protein with GST in BL-21 cells using the vector pDEST15. Cells were lysed by sonication, and the fusion proteins purified over glutathione sepharose (Pharmacia) according to the manufacturers instructions. For screening of compounds for their influence on the FXR-peptide interaction, the Perkin Elmer LANCE technology was applied. This method relies on the binding dependent energy transfer from a donor to an acceptor fluorophor attached to the binding partner of interest. For ease of handling and reduction of background from compound fluorescence LANCE technology makes use of generic fluorophore labels and time resolved detection Assays were done in a final volume of 25 &#956;L in a 384 well plate, in a Tris-based buffer (20 mM Tris-HCl pH 7.5; 60 mM KCl, 5 mM MgCl2; 35 ng/&#956;L BSA), containing 20-60 ng/well recombinantly expressed FXR-LBD fused to GST, 200-600 nM N-terminally biotinylated peptide, representing SRC1 aminoacids 676-700, 200 ng/well Streptavidin-xlAPC conjugate (Prozyme) and 6-10 ng/well Eu W1024-antiGST (Perkin Elmer). DMSO content of the samples was kept at 1%. After generation of the assay mix and diluting the potentially FXR modulating ligands, the assay was equilibrated for 1 h in the dark at rt in FIA-plates black 384 well (Greiner). The LANCE signal was detected by a Perkin Elmer VICTOR2VTM Multilabel Counter.
9838	2	Mammalian One Hybrid (M111) Assay	Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR was performed as follows.The cDNA part encoding the FXR ligand binding domain was cloned into vector pCMV-BD (Stratagene) as a fusion to the yeast GAL4 DNA binding domain under the control of the CMV promoter. The amino acid boundaries of the ligand binding domain were amino acids 187-472 of Database entry NM 005123 (RefSeq). The plasmid pFR-Luc (Stratagene) was used as the reporter plasmid, containing a synthetic promoter with five tandem repeats of the yeast GAL4 binding sites, driving the expression of the Photinus pyralis (American firefly) luciferase gene as the reporter gene. In order to improve experimental accuracy the plasmid pRL-CMV (Promega) was cotransfected. pRL-CMV contains the constitutive CMV promoter, controlling the expression of the Renilla reniformis luciferase. All Gal4 reporter gene assays were done in HEK293 cells (obtained from DSMZ, Braunschweig, Germany) grown in MEM with L-Glutamine and Earle&#39;s BSS supplemented with 10% fetal bovine serum, 0.1 mM nonessential amino acids, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL at 37° C. in 5% CO2. Medium and supplements were obtained from Invitrogen. For the assay, 5×105 cells were plated per well in 96 well plates in 100 &#956;L per well MEM without Phenol Red and L-Glutamine and with Earle&#39;s BSS supplemented with 10% charcoal/dextran treated FBS (HyClone, South Logan, Utah), 0.1 mM nonessential amino acids, 2 mM glutamine, 1 mM sodium pyruvate, and 100 units Penicilin/Streptavidin per mL, incubated at 37° C. in 5% CO2. The following day the cells were >90% confluence. Medium was removed and cells were transiently transfected using 20 &#956;L per well of an OptiMEM-polyethylene-imine-based transfection-reagent (OptiMEM, Invitrogen; Polyethyleneimine, Aldrich Cat No. 40,827-7) including the three plasmids described above. MEM with the same composition as used for plating cells was added 2-4 h after addition of transfection mixture. Then compound stocks, prediluted in MEM were added (final vehicle concentration not exceeding 0.1%). Cells were incubated for additional 16 h before firefly and renilla luciferase activities were measured sequentially in the same cell extract using a Dual-Light-Luciferase-Assay system (Dyer et al., Anal. Biochem. 2000, 282, 158-161). All experiments were done in triplicates.
9839	1	IDO1 enzymatic assay	IDO1 enzymatic assay was carried out in a reaction mixture (500 &#956;L/well) containing 50 mmol/L potassium phosphate buffer, 400 &#956;g/mL catalase, 40 mmol/L ascorbic acid, 20 &#956;mol/mL methylene blue, 300 mmol/L L-Tryptophan and the test compound. After the mixture was incubated for 3 5 min at 37° C., recombinant human IDO1 was added to. The mixture was incubated for another 30 min at 37° C. and the reaction was stopped by adding 200 &#956;L of 30% (w/v) trichloroacetic acid. After heating in a water bath pot at 65° C. for 15 min and centrifugation at 13800×g for 10 min. 100 &#956;L of supernatant was transferred into a well of a 96-well microplate and mixed with the same volume of 2% (w/v) p-(dimethylamino)benzaldehyde in acetic acid. Then kynurenine was added. When the color of the mixture became yellow, the mixture was measured for absorbance (D) value at 480 nm using microplate reader.
9840	1	Estrogen Receptor (ER) Degradation Assay	A screening strategy was implemented utilizing an In-Cell Western assay to measure their ability to degrade the estrogen receptor in vitro. MCF7 cells, which are estrogen receptor positive, were plated at a cell density of 3.5E-05 cells/mL into black walled clear bottom 96-well plates. Cells were incubated in phenol red free Dulbecco&#39;s Modified Eagle Media (DMEM) supplemented with 8% charcoal-stripped fetal bovine calf serum for 24 hours in a humidified 37° C. incubator. Concentrated stock compounds were diluted to 10× in complete media. Compounds were added to the plated cells in a dose-dependent manner ranging from 1E-12 to 1E-05 M and incubated for an additional 24 hours at 37° C. Culture medium was removed from the culture plates by gentle inversion. Cells were fixed in 4% paraformaldehyde in 1× phosphate buffered saline-calcium magnesium free (PBS-CMF) for 15 minutes at room temperature, washed 3 times for 5 minutes each in 1×PBS-CMF. Cells were permeabilized in immunofluorescence (IF) blocking buffer (Cell Signaling #12411) containing 0.3% Triton X100. Cells were washed 3 times for 5 minutes each in 1×PBS-CMF and incubated in estrogen receptor a (D6R2W) rabbit primary antibody (Cell Signaling #13258) diluted 1:300 in IF antibody dilution buffer (Cell Signaling #12378). Cells were washed 3 times for 5 minutes each in 1×PBS-CMF and stained with goat anti-rabbit (Biotium #CF770) secondary antibody diluted 1:2000 in IF antibody dilution buffer and normalizing stain CellTag 700 diluted 1:500 (Licor #926-41090). ER protein expression was assessed by the Licor Odyssey CLx imaging system using Image Studio v5.2. Data is processed utilizing GraphPad Prism 7 by subtracting background from the vehicle and setting the vehicle to 100% ER activity, followed by comparing treated samples to vehicle.
9840	2	Human ERalpha Reporter Assay	All reagents used in this assay was supplied in the Human ER&#945; Reporter Assay by Indigo Biosciences #IB00401. In an effort to screen selective estrogen receptor degraders (SERDs), the Human ER&#945; Reporter Assay, supplied by Indigo Biosciences, was utilized to quantify antagonist functional activity against the human estrogen receptor. Reporter cells were thawed at 37° C. and added to pre-warmed to 37° C. cell recovery medium (CRM). Stock concentration of 17&#946;-estradiol was serially diluted in CRM. Diluted 17&#946;-estradiol was added to CRM containing reporter cells resulting in a working concentration of 1.6 nM (2×). Cells plus 17&#946;-estradiol were dispensed in a kit-supplied white walled 96-well plate. Concentrated stocks of test compounds were diluted to 2× working concentrations in cell screening medium (CSM). 2× concentrated compounds were added to the plated cells in a dose-dependent manner resulting in a final concentration range of 1E-11 to 1E-5 M and a final 17&#946;-estradiol concentration of 8E-10 M. Assay plates were incubated for 24 hours in a humidified 37° C. incubator. Culture medium was removed from the assay plates by inversion. Detection substrate and buffer was warmed to room temperature, mixed thoroughly, and immediately added to the assay plates. Assay plates were incubated for 15 minutes at room temperature protected from light. Luminescence was measured in a Synergy HTX luminescence plate reader. Data is processed utilizing GraphPad Prism 7 by graphing the relative light units measured at each compound concentration.
9841	1	In Vitro Enzyme Inhibition	The ability of the compounds disclosed herein to inhibit human plasma kallikrein activity was quantified according to the procedures below.A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock .Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby refereed to as 4×hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L of 4× hPK to yield 120 &#956;L of 2× test compound buffer stock/2×hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1 Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
9841	2	In Vitro Cellular Assay	All dilutions were prepared in an assay buffer comprising 50 mM Tris-HCl pH 7.2, 150 mM NaCl, and 0.01% Triton X-100.Four fold serial dilutions were prepared from a 107.53 &#956;M plasma kallikrein inhibitor C1NH stock solution, to yield ten solutions with concentrations between 20 &#956;M and 0.76 nM. Similarly, four fold serial dilutions were prepared from 10 mM stock solutions of various test compounds, to yield ten solutions with concentrations between 4 mM and 0.015 &#956;M. The ten solutions of the test compounds, prepared by serial dilution, were further diluted 50-fold in the assay buffer.Human plasma is thawed on ice and centrifuged for 15 min at 4° C. to remove platelets. A 1 mM stock solution of ellagic acid is diluted to 8 &#956;M and mixed with human plasma, after removing platelets, at a ratio of 1:0.8. The mixture of human plasma and ellagic acid was further diluted 32-fold in the assay buffer, to yield the final mixture for use in the inhibition assay.A 22.5 &#956;L volume of the final mixture of human plasma and ellagic acid was added to a 96-well microwell plate and the plate was incubated for 15 min at 37° C.The CINH inhibitor at various concentrations, prepared by serial dilutions as described above, were added to the inhibitor control wells. The volume of CINH inhibitor added to each inhibitor control well was 12.5 &#956;L, to yield final concentrations of 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, 0.076 nM, and 0.019 nM. Each CINH concentration is tested in duplicates.The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test compound added to each test well was 12.5 &#956;L, to yield final concentrations of 20 &#956;M, 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, and 0.076 nM. Each test compound concentration was tested in duplicates.In addition to the inhibitor control and test wells, the 96 well assay plate includes positive control wells which contained the mixture of human plasma and ellagic acid without C1NH inhibitor or test compounds, and background wells which contained neither the mixture of human plasma and ellagic acid nor the test compounds. The total volume of liquid in positive control and background wells was brought up to 35 &#956;L, using the assay buffer.The assay plate containing C1NH inhibitors and test compounds mixed with human plasma and ellagic acid and appropriate controls was incubated at 37° C. for 5 min. A 10 mM stock solution of substrate Z FR-2-AMC was diluted to 133.2 &#956;M in the assay buffer, and 15 &#956;L of the diluted substrate was added to each well, to yield a final substrate concentration of 40 &#956;M in each well. The reagents were mixed well by shaking the plate gently for 30 sec.The enzyme reaction was quantified by immediate kinetic reading of the assay plate using excitation/emission wavelengths of 330 nm/440 nm respectively. Fluorescence intensity was recorded for 60 min, using a time interval of 43 sec.The inhibition activity of the test compounds were evaluated using the IC50 values, calculated according to the dose-response curve of the test compounds, fitted using the log(inhibitor)-response(variable slope) equation in GraphPadPrism software (GraphPad Software, Inc.).
9842	1	MELK Inhibitor Library Screening assay	MELK and its substrate, Bcl-G were both recombinantly expressed and purified for use in screening assays (See Methods). 752 compounds from an in-house curated inhibitor library were subjected to a p81-based kinase assay. 10 nM MELK 340 and 10 &#956;M Bcl-GL in kinase assay buffer (50 mM HEPES pH 7.5, 100 mM KCl, 0.1 mM EDTA, 0.1 mM EGTA, 10 mM MgCl2, 10 &#956;g/mL BSA) with 10 mM DTT were added to either 10 &#956;M or 1 &#956;M inhibitor aliquoted into 96 well plates (final 1% DMSO). The mixture was incubated at room temperature for 30 minutes prior to initiation of the assay with 40 &#956;M &#947;-32P-ATP (100-1000 CPM/pmol). 40 &#956;L aliquots were spotted onto a p81 96 well filter plate (Unifilter, Whatman), quenched, and washed with 75 mM O-phosphoric acid 8 times, followed by a final wash with acetone for drying. Wells were then filled with scintillation fluid, sealed, and quantified using a MicroBeta TriLux liquid scintillation counter (PerkinElmer). Each inhibitor plate was assayed in duplicate, with at least 4 wells without MELK to establish background and at least 4 wells without inhibitor as a negative control. All readings were corrected for background signal based on the average counts from the wells without enzyme. Percent inhibition, defined as [100&#8722;(CPM+inhibitor/average CPM of positive controls)*100], was determined first at 10 &#956;M inhibitor. The top 50 inhibitors were then re-screened in duplicate at 1 &#956;M.
9842	2	Selectivity Screening (AMPK)	Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed with inhibitor 17 (MELK-In-7) (KinomeScan, DiscoveRx, San Diego, Calif.), primary sequence relation to MELK, and laboratory availability. CHK1 and NUAK1 were purchased from SignalChem (Vancouver, BC). The NUAK2, CHK, and SAMS peptides were purchased from BioSyn (Lewisville, Tex.). The sequence of CHK and NUAK2 peptides are described elsewhere (Sanchez Y, et al. Science (New York, N.Y.). 1997; 277(5331):1497-1501; Scott J W, et al. Sci Rep. 2015; 5:14436). ERK2, AMPK, CAMKK2, and Ets1 were produced in house as previously described (Waas W F, Dalby K N. The Journal of biological chemistry. 2002; 277(15):12532-12540; Neumann D, et al. Protein Expr Purif. 2003; 30(2):230-237; Waas W F, Dalby K N. Protein Expr Purif. 2001; 23(1):191-197). Apparent KM values for ATP under specific assay conditions were determined using respective experimental conditions in Table 8 with varied ATP (0-1.28 mM). All selectivity dose-response assays were performed in kinase assay buffer (see Inhibitor Library Screen) with 2 mM DTT and 100 &#956;M &#947;-32P-ATP with additional conditions listed in Table 8. IC50 and KM ATP values were subsequently used to calculate Ki (Equation 4). Relative selectivity was determined by comparing Ki Enzyme/Ki MELK (termed &#966; in Table 7). All IC50 and/or Ki data were fit using Prism (GraphPad) using equations 2, 3, and 4, as appropriate. Standard error from linear regression data was propagated internally in Prism and taken into account in nonlinear regression to determine IC50 or Ki. 10 nM AMPK, 100 &#956;M SAMS, 50 &#956;M AMP 0.25-2 min 98 ± 8.4.
9842	3	Selectivity Screening (NUAK1)	Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed with inhibitor 17 (MELK-In-7) (KinomeScan, DiscoveRx, San Diego, Calif.), primary sequence relation to MELK, and laboratory availability. CHK1 and NUAK1 were purchased from SignalChem (Vancouver, BC). The NUAK2, CHK, and SAMS peptides were purchased from BioSyn (Lewisville, Tex.). The sequence of CHK and NUAK2 peptides are described elsewhere (Sanchez Y, et al. Science (New York, N.Y.). 1997; 277(5331):1497-1501; Scott J W, et al. Sci Rep. 2015; 5:14436). ERK2, AMPK, CAMKK2, and Ets1 were produced in house as previously described (Waas W F, Dalby K N. The Journal of biological chemistry. 2002; 277(15):12532-12540; Neumann D, et al. Protein Expr Purif. 2003; 30(2):230-237; Waas W F, Dalby K N. Protein Expr Purif. 2001; 23(1):191-197). Apparent KM values for ATP under specific assay conditions were determined using respective experimental conditions in Table 8 with varied ATP (0-1.28 mM). All selectivity dose-response assays were performed in kinase assay buffer (see Inhibitor Library Screen) with 2 mM DTT and 100 &#956;M &#947;-32P-ATP with additional conditions listed in Table 8. IC50 and KM ATP values were subsequently used to calculate Ki (Equation 4). Relative selectivity was determined by comparing Ki Enzyme/Ki MELK (termed &#966; in Table 7). All IC50 and/or Ki data were fit using Prism (GraphPad) using equations 2, 3, and 4, as appropriate. Standard error from linear regression data was propagated internally in Prism and taken into account in nonlinear regression to determine IC50 or Ki. 10 nM NUAK1, 100 &#956;M CHK peptide 0.25-4 min 60 ± 3.6.
9842	4	Selectivity Screening (CHK1)	Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed with inhibitor 17 (MELK-In-7) (KinomeScan, DiscoveRx, San Diego, Calif.), primary sequence relation to MELK, and laboratory availability. CHK1 and NUAK1 were purchased from SignalChem (Vancouver, BC). The NUAK2, CHK, and SAMS peptides were purchased from BioSyn (Lewisville, Tex.). The sequence of CHK and NUAK2 peptides are described elsewhere (Sanchez Y, et al. Science (New York, N.Y.). 1997; 277(5331):1497-1501; Scott J W, et al. Sci Rep. 2015; 5:14436). ERK2, AMPK, CAMKK2, and Ets1 were produced in house as previously described (Waas W F, Dalby K N. The Journal of biological chemistry. 2002; 277(15):12532-12540; Neumann D, et al. Protein Expr Purif. 2003; 30(2):230-237; Waas W F, Dalby K N. Protein Expr Purif. 2001; 23(1):191-197). Apparent KM values for ATP under specific assay conditions were determined using respective experimental conditions in Table 8 with varied ATP (0-1.28 mM). All selectivity dose-response assays were performed in kinase assay buffer (see Inhibitor Library Screen) with 2 mM DTT and 100 &#956;M &#947;-32P-ATP with additional conditions listed in Table 8. IC50 and KM ATP values were subsequently used to calculate Ki (Equation 4). Relative selectivity was determined by comparing Ki Enzyme/Ki MELK (termed &#966; in Table 7). All IC50 and/or Ki data were fit using Prism (GraphPad) using equations 2, 3, and 4, as appropriate. Standard error from linear regression data was propagated internally in Prism and taken into account in nonlinear regression to determine IC50 or Ki. 5 nM CHK1, 100 &#956;M CHK peptide 0.25-4 min 125 ± 2.5.
9842	5	Selectivity Screening (CAMKK2)	Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed with inhibitor 17 (MELK-In-7) (KinomeScan, DiscoveRx, San Diego, Calif.), primary sequence relation to MELK, and laboratory availability. CHK1 and NUAK1 were purchased from SignalChem (Vancouver, BC). The NUAK2, CHK, and SAMS peptides were purchased from BioSyn (Lewisville, Tex.). The sequence of CHK and NUAK2 peptides are described elsewhere (Sanchez Y, et al. Science (New York, N.Y.). 1997; 277(5331):1497-1501; Scott J W, et al. Sci Rep. 2015; 5:14436). ERK2, AMPK, CAMKK2, and Ets1 were produced in house as previously described (Waas W F, Dalby K N. The Journal of biological chemistry. 2002; 277(15):12532-12540; Neumann D, et al. Protein Expr Purif. 2003; 30(2):230-237; Waas W F, Dalby K N. Protein Expr Purif. 2001; 23(1):191-197). Apparent KM values for ATP under specific assay conditions were determined using respective experimental conditions in Table 8 with varied ATP (0-1.28 mM). All selectivity dose-response assays were performed in kinase assay buffer (see Inhibitor Library Screen) with 2 mM DTT and 100 &#956;M &#947;-32P-ATP with additional conditions listed in Table 8. IC50 and KM ATP values were subsequently used to calculate Ki (Equation 4). Relative selectivity was determined by comparing Ki Enzyme/Ki MELK (termed &#966; in Table 7). All IC50 and/or Ki data were fit using Prism (GraphPad) using equations 2, 3, and 4, as appropriate. Standard error from linear regression data was propagated internally in Prism and taken into account in nonlinear regression to determine IC50 or Ki. 50 nM CAMKK2, 200 &#956;M, NUAK2 peptide, 150 &#956;M total Ca2+, 1 &#956;M calmodulin &#8194;0.5-6 min 265 ± 25.
9842	6	Selectivity Screening (ERK2)	Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed with inhibitor 17 (MELK-In-7) (KinomeScan, DiscoveRx, San Diego, Calif.), primary sequence relation to MELK, and laboratory availability. CHK1 and NUAK1 were purchased from SignalChem (Vancouver, BC). The NUAK2, CHK, and SAMS peptides were purchased from BioSyn (Lewisville, Tex.). The sequence of CHK and NUAK2 peptides are described elsewhere (Sanchez Y, et al. Science (New York, N.Y.). 1997; 277(5331):1497-1501; Scott J W, et al. Sci Rep. 2015; 5:14436). ERK2, AMPK, CAMKK2, and Ets1 were produced in house as previously described (Waas W F, Dalby K N. The Journal of biological chemistry. 2002; 277(15):12532-12540; Neumann D, et al. Protein Expr Purif. 2003; 30(2):230-237; Waas W F, Dalby K N. Protein Expr Purif. 2001; 23(1):191-197). Apparent KM values for ATP under specific assay conditions were determined using respective experimental conditions in Table 8 with varied ATP (0-1.28 mM). All selectivity dose-response assays were performed in kinase assay buffer (see Inhibitor Library Screen) with 2 mM DTT and 100 &#956;M &#947;-32P-ATP with additional conditions listed in Table 8. IC50 and KM ATP values were subsequently used to calculate Ki (Equation 4). Relative selectivity was determined by comparing Ki Enzyme/Ki MELK (termed &#966; in Table 7). All IC50 and/or Ki data were fit using Prism (GraphPad) using equations 2, 3, and 4, as appropriate. Standard error from linear regression data was propagated internally in Prism and taken into account in nonlinear regression to determine IC50 or Ki. 1 nM ERK2, 20 &#956;M Ets-1 0.25-4 min 98 ± 14&#8201;
9842	7	Characterization of Hits and Compound 15 (MELK-In-1) Derivatives	The top 10 hits from the 1 &#956;M screening and derivatives of MELK-In-1 were subjected to the same assay conditions with varied inhibitor concentrations (0.0005-50 &#956;M) to generate a dose-response curve and IC50. At set time points (0.25, 0.5, 1, 1.5, and 2 min for assays containing 10 nM MELK and 1, 2, 4, 6, and 10 min for assays containing 1 nM MELK), 30 &#956;L aliquots were taken from each reaction and spotted onto 2×2 cm squares of p81 paper. Papers were washed 4 times in 75 mM O-phosphoric acid and once in acetone. Labeled protein was quantified by its associated CPM determined on a Packard 1500 scintillation counter at a sigma value of 2. CPM were translated into nmol 32P incorporated using Equation 1.
9843	1	MDM2-p53 Interaction Using a 96-Well Plate Binding Assay (ELISA)	The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 &#956;l per well of 1 &#956;g ml&#8722;1 biotinylated IP3 peptide. The plates were ready to use for MDM2 binding after washing the plate with PBS.Compounds and control solutions in DMSO aliquoted in 96-well plates were pre-incubated in a final 2.5-5% (v/v) DMSO concentration at room temperature (for example 20° C.) for 20 min with 190 &#956;l aliquots of optimized concentrations of in vitro translated MDM2, before transfer of the MDM2-compound mixture to the b-IP3 streptavidin plates, and incubation at 4° C. for 90 min. After washing three times with PBS to remove unbound MDM2, each well was incubated at 20° C. for 1 hour with a TBS-Tween (50 mM Tris pH7.5; 150 mM NaCl; 0.05% Tween 20 nonionic detergent) buffered solution of primary mouse monoclonal anti-MDM2 antibody (Ab-5, Calbiochem, used at a 1/10000 or 1/200 dilution depending on the antibody stock solution used), then washed three times with TBS-Tween before incubation for 45 mins at 20° C. with a TBS-Tween buffered solution of a goat-anti-mouse horseradish peroxidase (HRP) conjugated secondary antibody (used at 1/20000 or 1/2000 depending on the antibody stock solution). The unbound secondary antibody was removed by washing three times with TBS-Tween. The bound HRP activity was measured by enhanced chemiluminescence (ECL , Amersham Biosciences) using the oxidation of the diacylhydrazide substrate, luminol, to generate a quantifiable light signal. The percentage of MDM2 inhibition at a given concentration is calculated as the [1&#8722;(RLU detected in the compound treated sample&#8722;RLU negative DMSO control)+(RLU of DMSO positive and negative controls)]×100 or as the (RLU detected in the compound treated sample+RLU of DMSO controls)×100. The IC50 was calculated using a plot of % MDM2 inhibition vs concentration and is the average of two or three independent experiments.
9844	1	RF-MSS cyclase assay	The RapidFire 365 High-throughput MS System (Agilent Technologies; RF-MSS) can process samples every 15 seconds allowing analysis of a 384 well plate in under two hours; thus, RF-MSS provides a platform for high throughput MS screening which can simultaneously measure both cAMP produced and ATP consumed in an individual sAC assay. Using the RF-MSS we observed no appreciable sample carryover between assay samples, and we were able to detect both a sAC-dependent increase in cAMP signal (FIG. 2A) and decrease in ATP signal (FIG. 2B) over time. When measured in the presence of increasing concentrations of substrate ATP in the presence of Mg2+ as the sole divalent cation, HCO3 &#8722; stimulated sAC activity by increasing the Vmax with little effect on the apparent Km for substrate ATP-Mg2+ (FIG. 2C). Addition of Ca2+ stimulated sAC activity by decreasing its apparent Km for ATP, and addition of both Ca2+ and HCO3 &#8722; synergistically activated sAC. These data confirm that using RF-MSS as a tool for measuring in vitro adenylyl cyclase activity is comparable to the known, radioactivity based, two-column method for measuring adenylyl cyclase activity.
9844	2	ELISA-based Correlate-EIA Direct cAMP Assay	INS-1E insulinoma cells were incubated in 2.5 mM glucose Krebs-Ringer buffer (pH 7.5) supplemented with 2 mM sodium bicarbonate, 10 mM HEPES, and 0.1% BSA for 2 h before start of the experiment. At time zero for each experiment, media was switched to Krebs-Ringer buffer containing 2.5 mM glucose or 16 mM glucose in the presence of 500 &#956;M IBMX and inhibitor at the shown concentrations. After 10 min cells were lysed in 200 &#956;l 0.1 M HCl. Intracellular cAMP contents were determined using Correlate-EIA Direct Assay (Assay Designs, Inc).
9845	1	GLS Enzyme Potency Assay	A Glutamate Oxidase/AmplexRed coupled assay was used to measure the ability of compounds to bind to and inhibit the activity of GLS1 in vitro. 6His tagged GLS protein (amino acids 63-669) expressed in E. Coli was purified and stored at &#8722;80° C. in aliquots. GLS1 was diluted to 2× working concentration and incubated at room temperature to allow the tetrameric/dimeric forms to reach steady state. Assay measurements were performed in buffer comprising 50 mM TRIS pH 7.8, 100 mM NaPO4, pH 7.8, 0.001% v/v Tween20. Purified recombinant GLS1 protein was diluted in assay buffer to 12 nM and pre-incubated at room temperature for 30 minutes. Test compounds were prepared by dilution in 100% DMSO to give the correct dose range for 12 point concentration response and an appropriate volume (2.5-60 nl) dispensed into 384 well micro assay plates (Greiner product code 784900) using a Labcyte Echo 555 acoustic dispenser. DMSO concentration was maintained at 2% by back filling with DMSO solution. 3 &#956;L of diluted GLS1 protein (12 nM) was then dispensed into each well using a BioRaptr automated dispenser (Beckman-Coulter) and incubated for 15 minutes at room temperature. 3 &#956;L of 100 mM glutamine diluted in assay buffer was then added and the reaction incubated at room temperature for 60 minutes. The reaction was then stopped by addition of 45 &#956;M 6-(2-bromoethynyl)-2,3-dimethyl-quinazolin-4-one, 75 &#956;M Amplex Red, 0.375 units/mL Horseradish Peroxidase, 0.12 units/mL Glutamate Oxidase in 100 mM TRIS pH7.5. After 30 minutes at room temp in the dark, plates were read on a Perkin Elmer EnVision using 535/590 nm optic filters and raw data analysed using Genedata to generate IC50 values. An artefact version of the assay where the 6His tagged GLS protein and glutamine were replaced with assay buffer was also used to rule out non specific effects on the assay components.
9846	1	Sodium Influx Assay (In Vitro Assay)	This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which are maintained in an open state by use of sodium channel modulators. This high throughput sodium influx assay allows for rapid profiling and characterization of sodium channel blockers.In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaC2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
9846	2	Electrophysiological Assay (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nav&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel a-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. Nav1.1, Nav1.5 and Nav1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete. The voltage is then stepped back to a very negative (Vhold=&#8722;150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
9847	1	JAK1 and JAK3 Enzyme Activity Assays	The activity of JAK3 (a.a. 781-1124, ThermoFisher) was quantified by measuring the phosphorylation of SRCtide (FAM-GEEPLYWSFPAKKK-NH2). Kinase reactions were run in a 384-well Greiner plate with 2% final DMSO concentration under the buffer conditions of 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, and 0.0005% Tween-20. The kinase reaction components were 2.5 nM JAK3, 1 &#956;M SRCtide peptide and 1 uM ATP. Examples were tested in dose-response starting at 2 &#956;M (11 concentrations, 3-fold serial dilution, duplicate reactions). The reactions were incubated at room temperature for 40 minutes, then stopped by adding a 1:1 volume of 30 mM EDTA in 20 mM HEPES, pH 7.5 (15 mM EDTA final). After the reaction was stopped, the phosphorylated and unphosphorylated peptides were separated and quantified using a Caliper LC3000/EZ-Reader system and HTS Well Analyzer Software (Caliper, A PerkinElmer Company, Hopkinton, Mass.). GraFit (Erithacus Software Ltd., Horley, U.K.) was used to calculate inhibitor potency by fitting dose-response data to the 4-parameter logistical IC50 equation.The inhibitory potency of candidate compounds of JAK1 done at Thermo Fisher Scientific in their Selectscreen using a Z-lyte assay. The 2×JAK1/Tyr 06 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L of the Kinase Reaction consists of 21.2-91.5 ng JAK1 and 2 &#956;M Tyr 06 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent is added.Background signal is defined in the absence of enzyme and uninhibited signal is defined in the presence of vehicle (2% DMSO) alone. Compounds were evaluated in an 11 point dose-response ranging from 20 mM to 0.34 nM. IC50 values of compounds are determined using a 4 parameter logistical fit of emission ratio as a function of the concentration of compound.
9848	1	AAK1 Kinase Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme and substrates (fluoresceinated peptide (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP) and test compounds in assay buffer (10 mM Tris-HCL pH 7.4, 10 mM MgCl2, 0.01% Tween-20 and 1.0 mM DTT). The reactions were initiated by the combination of bacterially expressed, GST-Xa-hAAK1 with substrates and test compounds. The reactions were incubated at room temperature for 3 hours and terminated by adding 60 &#956;l of 35 mM EDTA buffer to each sample. The reactions were analyzed on the Caliper LabChip 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to EDTA quenched control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assays are ATP, 22 &#956;M; (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH12, 1.5 &#956;M; GST-Xa-hAAK1, 3.5 nM; and DMSO, 1.6%. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
9849	1	Enzymatic Inhibition Assay	11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilution plates, sample was transferred to a 384 wells assay plate (#781280, Greiner, Monroe, N.C.) using Labcyte Echo (Sunnyvale, Calif.), or Biosero ATS (San Diego, Calif.). The compounds were tested in duplicate. Column 12 was used for positive controls, and column 24 contained negative controls with no enzyme added. A compound from our internal collection, with inhibitory activity for JAK isoforms, was used as a reference compound. The final concentration of DMSO was &#8804;0.25% in a 20 &#956;L reaction. Assay conditions for each of the proteins are summarized in Table 3. The enzyme reaction was initiated by the addition of 10 &#956;L of 2× enzyme and ATP mixture to 10 &#956;L of 2× substrate solution prepared in reaction buffer (50 mM MOPS pH 7.5, 10 mM MgCl2, 1 mM EDTA, 2 mM DTT, 0.002% Tween-20). The Tyk2 enzyme was pre-incubated with 2 mM ATP for 30 min prior to the reaction initiation. Immediately after the addition of the enzyme to the reaction mixture, the plate was centrifuged at 1000 rpm for 1 minute and incubated at 25° C. for 45 minutes for JAK 3 and 90 minutes for JAK1, JAK2 and Tyk2. The reaction was quenched by the addition of 20 &#956;L of 0.5% TFA containing 0.15 &#956;M of internal standard peptide using Multidrop Combi reagent dispenser (Thermo Scientific, Waltham, Mass.). Several wells in column 24 were typically used for the product standard curve. After the quench, the assay plate was centrifuged at 3000 rpm for 3 minutes and sealed with pierceable aluminum foil (Cat #06644-001, Agilent) using a PlateLoc (Agilent Technologies, Santa Clara, Calif.). The plates then were transferred on to the RapidFire for the MS analysis. Compound inhibition was assessed by a decrease of the phosphorylated product levels in sample wells compared to the non-inhibited enzyme reaction. The assay conditions for the above assays are shown in Table 3 and the results of Ex. 1-209 as tested in these assays are shown in Table 4.TABLE 3Assay conditions for JAK family enzyme assays* [p], [ATP], [Substrate], [IS],Enzyme nM &#956;M &#956;M nMJAK1-JH1JH2 8.0 12.5 200 100JAK2-JH1JH2 7.0 or 3.6 30 40 100JAK3-JH1JH2 2.0 150 40 100Tyk2-JH1JH2 &#8194;&#8201;25 or 14.7 50 200 100*Reaction buffer: 50 mM MOPS, pH 7.5 10 mM MgCl2, 1 mM EDTA, 2 mM DTT, 0.002% Tween-20; IS stands for internal standard peptide; p stands for phospho-peptide (product); Substrate stands for peptide.
9850	1	TLR7 Agonist Activity Assay	Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) reporter transgene were suspended in a non-selective, culture medium (DMEM high-glucose (Invitrogen), supplemented with 10% fetal bovine serum (Sigma)). HEK-Blue TLR7 cells were added to each well of a 384-well tissue-culture plate (15,000 cells per well) and incubated 16-18 h at 37° C., 5% CO2. Compounds (100 nl) were dispensed into wells containing the HEK-Blue TLR cells and the treated cells were incubated at 37° C., 5% CO2. After 18 h treatment ten microliters of freshly-prepared Quanti-Blue reagent (Invivogen) was added to each well, incubated for 30 min (37° C., 5% CO2) and SEAP levels measured using an Envision plate reader (OD=620 nm). The half maximal effective concentration values (EC50; compound concentration which induced a response halfway between the assay baseline and maximum) were calculated.
9850	2	Interleukin 6 Induction Assay	Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid handling technology (25 nL per well). Human whole-blood samples (25 uL) were added to each well using a CyBio FeliX liquid handling instrument. The plate was shaken on a plate shaker for three min before incu-bating the reaction mixtures at 37° C. for 20 h. Basel RPMI 1640 medium (supplemented with L-glutamine) was then added to each well (25 uL per well) prior to liberating plasma from each sample by centrifugation (450×g, 5 min, ambient temperature). Treated plasma samples (3 uL) were subsequently transferred to individual wells of a white, shallow, 384-well ProxiPlate (Perkin Elmer) using the FeliX liquid handling instrument and their interleukin 6 levels were measured using AlphaLISA technology as described by the manufacturer, PerkinElmer. Data analyses software was used to determine compound EC50 values where the baseline was established using average DMSO values and 100% induction established using reference compound values at the highest concentration tested. EC50&#39;s can be determined with software such as Graphpad Prism.
9851	1	IMAP TR-FRET PDE2A assay	An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate by immobilized metal (MIII) coordination complexes on nanoparticles. The IMAP binding reagent recognizes phosphate groups on AMP or GMP generated from cAMP or cGMP in a PDE reaction. Cyclic nucleotides that carry a phosphodiester bond and not a free phosphate are not recognized by the binding reagent. The time resolved fluorescence resonance energy transfer (TR-FRET) is afforded by a Terbium (Tb)-Donor pre-bound to the nanoparticles. FRET occurs when the fluorescent-labeled AMP or GMP product of a PDE reaction binds and comes into close proximity to the Tb-Donor complex. Due to the long lifetime of Tb fluorescence, detection can be run in time-resolved mode to reduce or eliminate interference from auto-fluorescent compounds.The IMAP TR-FRET PDE2A assay was performed in 1536-well white plates. A total of 250 pg per well of FLAG-tagged PDE2A 1 (amino acids 2-941) was dispensed in 2.5 &#956;L IMAP assay buffer consisting of 10 mM Tris pH 7.2, 10 mM MgCl2, 1 mM DTT, and 0.1% fatty acid free BSA. 30 nL of compound was then added from 1 mM stocks in DMSO using a Kalypsys Pintool. Plates were incubated for 5 min at room temperature before dispensing 1.5 &#956;L of 533 nM FAM-cAMP substrate for a final concentration of 200 nM. Following a brief centrifugation, plates were incubated for 30 min at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent Tb complex to each well which was prepared according to manufacturer&#39;s recommendations (Molecular Devices). Plates were incubated an additional 120 minutes at room temperature and read on a Viewlux plate reader. All compounds were solvated at a concentration of 10 mM in DMSO and tested in 11-point half-log dose-response. Curve fitting and IC50 values were determined using a standard four parameter fit.
9852	1	PRS Enzyme Activity Inhibition Experiment	In order to confirm the biological activities of the compounds prepared in Examples, % inhibition or IC50 values of PRS enzyme (phosphoribosylpyrophosphate synthetase enzyme) activities were calculated.Specifically, the portion corresponding to PRS in cDNA of EPRS was subcloned, and the obtained high-purity PRS protein was purified and used in the experiment. The compounds (1 &#956;M) prepared in Examples were added into the reaction buffer (20 mM KPO4 (pH 7.4), 6 mM MgAc, 5 mM ATP, 400 mg/mL tRNA, 0.5 mM DTT, 20 mCi[3H]proline (1 mCi/mL)) and allowed to react at 37° C. for 5 to 10 minutes. The reaction was terminated with 3M paper that was in advance dried by addition of 5% TCA. The radioactivity was measured using a liquid scintillation counter.% Inhibition and IC50 values of the respective compounds were calculated and analyzed using Microsoft Excel or Sigma Plot 8.0.
9853	1	Radioligand Binding of Compounds to AR, GR and ER	ReceptorsGR (human) (agonist radioligand) IM-9 cells (cytosol)[3H]dexamethasone 1.5 nM 1.5 nM triamcinolone (10 &#956;M) 6 h 4° C. Scintillation counting (Clark, A. F et al. (1996) Invest. Ophtalmol. Vis. Sci., 37: 805-813).ER (nonselective) (human) (agonist radioligand) MCF-7 cells (cytosol)[3H]estradiol 0.4 nM 0.2 nM 17(3-estradiol (6 &#956;M) 20 h 4° C. Scintillation counting(Parker, G. J et al. (2000) J. Biomol. Screen., 5: 77-88).AR (human) (agonist radioligand) LNCaP cells (cytosol)[3H]methyltrienolone 1 nM 0.8 nM mibolerone (1 &#956;M) 24 h 4° C. Scintillation counting.Zava, D. T et al. (1979) Endocrinology, 104: 1007-1012.The results are expressed as a percent of control specific binding measured specific binding*100 control specific binding and as a percent inhibition of control specific binding 100-(measured specific binding*100) control specific binding obtained in the presence of compound.
9854	1	AlphaLISA Assay	The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 &#956;L. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (171-327), 0.0625 nM biotinylated-Bim peptide, 10 &#956;g/mL AlphaLISA anti-6×His-AlphaLISA acceptor beads, 40 &#956;g/mL AlphaScreen streptavidin donor beads, and serially diluted test compounds in the binding buffer (20 mM Hepes, pH 7.5 (Teknova H1035); 150 mM NaCl (Promega V4221); 0.002% Brij 35 (Thermo Scientific 20150); 1 mM Dithiothreitol (DTT) Solution (Affymetrix 70726); 0.01% BSA (BioLabs B9000S)). 1,000× test compounds were pre-spotted onto 384-well Proxiplate (Labcyte Echo) by Echo 555 Liquid Handler (Labcyte Inc., San Jose, Calif.) followed by incubation of 5 &#956;l Mcl-1(171-327) for 1 hour. Then 5 &#956;L Bim (51-76) was added and incubated for 2 hours. Five &#956;L AlphaLISA anti-6His-AlphaLISA acceptor beads were then added for 1 hour followed by addition of 5 &#956;L AlphaScreen streptavidin donor beads for 1 hour. The reaction plates were then read on an Envision multimode reader (PerkinElmer) using AlphaScreen settings. 
9855	1	Cytopathic Effect Assay (CPE Assay)	MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition overnight. Next day, cell culture medium was replenished with fresh medium containing relevant concentrations of test compounds and virus H1N1 A/Weiss/43 at a multiplicity of infection to yield 80-95% CPE (or the titer was 1 TCID90/well). The top final concentration of the test compounds were 50 &#956;M and then diluted by 3-fold serially for a total of 8 concentrations at 50 nM, 16.67 nM, 5.56 nM, 1.85 nM, 0.62 nM, 0.21 nM, 0.069 nM, 0.023 nM. The test condition of cytotoxicity test group was the same as described above, except that the cell culture medium of cytotoxicity test group didn&#39;t contain influenza virus. A virus control group without drug and a no virus infected cell control group without drug were set at the same time. Each group was set in duplicate, and incubated at 37° C. under 5% CO2 condition for 5 days. The cell activity was detected by using CCK-8 kits, and the data were used for calculating the antiviral effect and cytotoxicity against virus-infected cell of the compound. Data were analyzed by using GraphPad Prism software, and the CPE inhibition ratio and cell survival ratio were calculated. EC50 and CC50 values were obtained according to the curve fitting. 
9855	2	Cytopathic Effect Assay (CPE Assay)	MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 6000 cells per well and cultured at 37° C. under 5% CO2 condition overnight. Next day, cell culture medium was exchanged with fresh medium containing relevant concentrations of test compounds and virus Influenza B virus-B/Lee/40 (the titer was 30 TCID50/well). The highest tested concentration of the compounds were 50 &#956;M and then the compounds were diluted by 3-fold serially for a total of 11 concentrations. A cytotoxicity test group was set under the same experimental condition as described above, except that the cell culture medium of cytotoxicity test group didn&#39;t contain influenza virus; while a virus control group without drug and a no virus infecting cell control group without drug were set at the same time. Each group was set in duplicate, and incubated at 37° C. under 5% CO2 condition for 3 days. The cell activity was detected by using Promega CellTiter Cell Viability kits, and the data were used for calculating the antiviral effect and cytotoxicity against virus-infected cell of the compound. Data were analyzed by using GraphPad Prism software, and the CPE inhibition ratio and Cell survival ratio were calculated. EC50 value was obtained according to the curve fitting.
9856	1	Scintillation Proximity Assay (SPA	The scintillation proximity assay (SPA) was run in white polystyrene flat-bottom 384-well plates (Greiner, cat. No. 781075). Assays were carried out in 40 i1 reaction volumes. Various concentrations of test ligands in 0.4 microlitres of DMSO were added to assay plates using an acoustic liquid dispenser. 4 nM purified N (HN)6-GST-TCS-hROR (258-518) was mixed with 40 micrograms Yttrium oxide (YOx) glutathione SPA imaging beads in assay buffer (20 mM Tris, 150 mM NaCl, 10% Glycerol, 0.25% CHAPS, 1 mM TCEP) prior to adding 30 microlitres to test ligands. Assay plates were incubated for one hour at room temperature before adding 10 microlitres tritiated 2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide to test plates in assay buffer (final concentration, 25 nM). Test plates were incubated for 16 hours and read using a LEADseeker Multimodality imaging instrument.
9856	2	FRET Assay	The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to assay plates using an Echo acoustic dispenser. Two pre-mixes were prepared and incubated for 1 h at room temp in the dark. Pre-mix 1 comprised 100 nM Protein (Biotinylated HN-Avi-MBP-TCS-hROR (258-518)) and 60 nM Streptavidin APC in assay buffer, 50 mM MOPS pH7.4, 50 mM KF, 0.003% (w/v) CHAPS, 10 mM DTT and 0.01% (w/v) BSA and pre-mix 2 comprised 160 nM biotinylated SRC-1 peptide (NCOA1-677-700) and 20 nM Europium-W8044 labelled Streptavidin in assay buffer. Five microlitres of pre-mix 2 was dispensed to assay plates containing 0.1 microlitres of test compound and was incubated for 15 minutes prior to adding five microlitres of pre-mix 1. Plates were incubated at room temperature for 1 hour in the dark, prior to reading in a Pherastar multi-mode plate reader using HTRF filter set (ex 320, em 612 and 665). The FRET signal at 665 nm was divided by the signal at 612 nm and multiplied by 10,000 to generate a signal ratio value for each well. The raw data was transformed to % effect using the equation:Compound % effect=100*[(X min)/(max min)],where X represents the normalized value for the compound based on the Min (vehicle) and Max (reference compound) inhibition control.
9857	1	Binding Assay	All test compounds were prepared as a stock solution of 10 mM in 100% DMSO.Inhibition binding assays were performed using 2.5 &#956;g of membranes prepared from HEK293 cells transiently transfected with human adenosine A2a receptor or 10 &#956;g of membranes prepared from CHO cells stably transfected with human adenosine A1 receptor. Membranes were incubated in 50 mM Tris-HCl (HEK293-hA2a; pH 7.4) or 20 mM HEPES, 100 mM NaCl, 10 mM MgCl2 (CHO-hA1; pH 7.4) in the presence of varying concentrations of test compound and 1 nM [3H]ZM241385 (HEK293-hA2a) or [3H]DPCPX (CHO-hA1) at 25° C. for 1 h. The assay was then terminated by rapid filtration onto GF/B grade Unifilter plates using a TomTec cell harvester, followed by 5×0.5 ml washes with double distilled H2O. Nonspecific binding was defined in the presence of 1 &#956;M CGS15943 (HEK293-hA2a) or 1 &#956;M DPCPX (CHO-hA1). Bound radioactivity was determined by liquid scintillation counting (Trilux Microbeta Counter) and inhibition curves were analysed using a four-parameter logistic equation. 
9858	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue ##6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. 
9859	1	Biochemical Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 uM ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000. 
9860	1	Inhibitory Activity Assay	Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Company) and cultured at 37° C. under 5% CO2 overnight. The medium was replaced with 100 &#956;L/well of Na(&#8722;) buffer (140 mM choline chloride, 2 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 5 mM Tris, pH 7.4), and then the mixture was let stand at 37° C. under 5% CO2 for 20 minutes. After removal of Na(&#8722;) buffer, thereto was added 40 &#956;L/well of a test compound solution prepared with Na(+) buffer (140 mM NaCl, 2 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 5 mM Tris, pH 7.4) comprising BSA. Then, thereto was added 40 &#956;L/well of Na(+) buffer comprising 8 kBq of 14C-AMG and 2 mM AMG, and the mixture was mixed well. For a blank, 40 &#956;L/well of Na(&#8722;) buffer comprising BSA was added, and in addition, 40 &#956;L/well of Na(&#8722;) buffer comprising 8 kBq of 14C-AMG and 2 mM AMG was added, and the mixture was mixed well. After incubation by being let stand for 1 hour at 37° C. under 5% CO2, cells were washed twice with 100 &#956;L/well of ice-cooled wash buffer (100 mM AMG, 140 mM choline chloride, 2 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 10 mM HEPES, 5 mM Tris, pH 7.4) to terminate the reaction. A cell lysate was prepared by addition of 50 &#956;L/well of 0.2N aqueous NaOH solution. In the assessment for the uptake ability of 14C-AMG, the total amount of the cell lysate was transferred to OptiPlate 96 (Perkin-Elmer) with 100 &#956;L/well of MicroScint-40 (Perkin-Elmer) dispensed and 14C of CPM was measured with TOPCOUNT NXT (Perkin-Elmer).
9861	1	Inhibitory Activity Assay	1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100×, then this concentration was used as the first concentration, 3-fold diluted to make 10 serial concentrations; 1 &#956;L each serial dilution was then added to 19 &#956;L 1×reaction buffer to prepare 5×compound for use; 2 &#956;L 5×compound was transferred from 96-well plate to 384-well plate; compound-free control well was added with 2 &#956;L the following liquid: 1×reaction buffer with the addition of 1 &#956;L DMSO; 2 &#956;L 250 mM EDTA was added to the Min control well.2.1× reaction buffer was used to formulate the kinase, substrate and ATP into a 2.5×enzyme/substrate mixture and 2.5×ATP solution respectively. In the experiment, the final concentration of CDK4/CycD3 kinase is 0.76 ng/&#956;L, the final concentration of ATP is 80 &#956;M; the final concentration of CDK6/CycD3 kinase is 0.5 ng/&#956;L, the final concentration of ATP is 50 &#956;M; the final concentration of CDK2/CycA2 kinase is 0.86 ng/&#956;L, the final concentration of ATP is 15 &#956;M; the final concentration of CDK2/CycE1 kinase is 1.016 ng/&#956;L, the final concentration of ATP is 20 &#956;M; 2.5×enzyme/substrate mixture was added to a 384-well plate, incubated at room temperature for 5 minutes; then added with 2.5×ATP solution, reacted at room temperature for 30 minutes.3. LANCE Detection Buffer was used, 1× to prepare 2×LANCE Ultra Europium-anti-phospho-eIF4E-binding protein 1 (Thr37/46) for use. After the enzymatic reaction was continued for 30 minutes, 10 mM EDTA was added to 384-well plate and the mixture was reacted at room temperature for 5 minutes. Then LANCE Ultra Europium-anti-phospho-eIF4E-binding protein 1 (Thr37/46) was added, reacted at room temperature for 1 hour.4. The 384-well plate was placed in HERAEUS Multifuge X1R centrifuge, centrifuged at 2000 rpm for 2 minutes; data were measured on EnVision , 337 nM wavelength laser was used as the excitation light, test at RFU665 nM and RFU615 nM, and RFU665 nM/RFU615 nM×10000 was used as the final data for analysis.
9862	1	Biological Assay	Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts of the reaction product, ADP. The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over the course of a 90 min incubation, which resulted in 10-12% conversion of the starting ATP to ADP. Final IRAK4 assay conditions were 1.25 nM IRAK4; 125 uM ATP; 10 uM MgCl2; 125 uM peptide in reaction buffer (25 mM HEPES (pH7.4); 2 mM Dithiothreitol; 0.015% Brij-35; and 0.5% dimethyl sulfoxide. The IRAK1 activity was optimized similarly, yielding final assay conditions of 3 mM IRAK1; 62.5 uM ATP; 5 uM MgCl2, and 62.5 uM IRAK1 peptide in reaction buffer for 60 min.Assays of compounds for kinase inhibition were performed using inhibitors serially-diluted in dimethyl sulfoxide, which was accomplished with a LabCyte Echo 555 liquid dispenser. 384 well assay plates spotted with compound received 4 ul of a 2× substrate (ATP+peptide) mix in reaction buffer, followed by 4 ul of 2× enzyme diluted in reaction buffer. Reactions were halted at 60 (IRAK1) or 90 (IRAK4) min by addition of 6 ul of detection buffer, containing EDTA (40 nM final concentration), 0.95 ug of the ADP-binding antibody ADP2, ADP tracer (3 nM final concentration), and 25 uM HEPES. Following a 1 hr incubation, fluorescence polarization of the ADP2-antibody TRACER complex was read on a Tecan M1000 plate reader using a 635/20 excitation filter in combination with a 670/20 emission filter.
9863	1	Competition Binding Assay	The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd and Bmax values for [3H]NLX at MOR and [3H]DPN at KOR had been determined previously. The Kd and Bmax values for [3H]DPN at DOR were determined using varying concentrations of [3H]DPN and fixed a concentration of 30 &#956;g DOR membrane protein and 5 &#956;M SNC80. [3H]NLX was used to label MOR whilst [3H]DPN was used to label both DOR and KOR. The potency of the new compounds in displacing the specific binding of the radioligand was determined by linear regression analysis of Hill plots. Specific (i.e., opioid receptor-related) binding at MOR, KOR and DOR was determined as the difference in binding obtained in the absence and presence of 5 &#956;M naltrexone, U50,488 and SNC80, respectively. The IC50 values were determined and converted to Ki values using the Cheng Prusoff equation (Rosenblum, A. et al. Exp Clin Psychopharmacol. 2008, 16 (5), 405-416).
9864	1	Kinase Activity Inhibition Assay	IRAK4 kinase (purchased from Life Technologies, Cat. No.: PR5612U) was diluted to 2 folds of the final concentration (the final concentration is 0.76 ng/&#956;L) with reaction buffer (40 mM Tris-HCl, pH 7.5; 20 mM MgCl2; 0.1 mg/mL BSA; 1 mM DTT), and added to a 384-well plate at 5 &#956;L/well. The test drugs were 10-fold serial diluted from 10 &#956;M to set six concentration points and added to the test wells of the 384-well plate at 2.5 &#956;L/well. After incubation for 10 min at 25° C., 10 &#956;M of ATP and 0.1 &#956;g/L of an enzyme reaction substrate, myelin basic protein MBP (purchased from SignalChem, Cat. No.: M42-51N) were added at 2.5 L/well, and reacted at 25° C. for 60 minutes. After the reaction was completed, the kinase activity assay was performed using the ADP-Glo kinase assay kit (purchased from Promega, Cat. No.: V9102) according to the manufacture&#39;s instruction, i.e., 10 &#956;L of ADP-Glo reaction reagent was first added and reacted at 25° C. for 40 minutes, 10 &#956;L of the solution to be tested was taken and mixed with 10 &#956;L of ADP-Glo detection reagent, and reacted at 25° C. for 30 minutes. 
9865	1	Enzyme Assay	HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 &#956;M delta aminolevulinic acid for 48 hours at 16 degrees Celsius. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 &#956;M methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDO1 concentration of 40 nM. IDO1 solution (30 &#956;M) or buffer alone (30 &#956;M) were dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at room temperature for 30 minutes. Afterwards, 10 &#956;L of 400 &#956;M tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at room temperature for 60 minutes and reactions were quenched by addition of 10 &#956;L of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37° C. for 4 hours or 50° C. for 2 h. The plates are allowed to cool and then centrifuged for 1 minute at 1000×g. The resulting fluoresence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.
9866	1	Fluorescence Anisotropy Assay	Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe.
9867	1	PD-1/PD-L1 Homogenous Time-Resolved Fluorescence (HTRF) binding assay	Homogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD80-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively). Binding/competition studies between biotinylated Compound No. 71 and human PD-L1-His were performed as follows. Macrocyclic peptide inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 minutes in 4 &#956;l of assay buffer followed by addition of biotinylated Compound No. 71 (0.5 nM final) in 1 &#956;l of assay buffer. Binding was allowed to equilibrate for 30 minutes followed by addition of europium crypated labeled Streptavidin (2.5 pM final) and APC-labeled anti-His (20 nM final) in 5 &#956;l of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
9868	1	Biological Assay	Assay A, a 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DMSO as 4 mM stocks, diluted using an 11-point half-log scheme on a Biomek FX (Beckman Coulter), and incubated at rt for 30 minutes with the reaction mixture containing 50 mM HEPES, pH 7.4, 140 mM KCl, 3.5 mM MgCl2, 0.8 mM fructose, 2 mM TCEP, 0.8 mM PEP, 0.7 mM NADH, 0.01% Triton X-100, 30 U/mL pyruvate kinase-lactate dehydrogenase, and 10 nM purified KHK-C. The compound concentration in each well ranged from 1 nM to 100 uM. The reaction was initiated with the addition of 0.2 mM ATP. The absorbance was measured for 30 minutes on a SpectraMax reader (Molecular Devices) after ATP was added. The concentrations provided are based on the final mixture volume of 40 uL (referred to as the final concentration).
9868	2	Biological Assay	Assay B, using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were prepared in DMSO as 4 uM stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a concentration range of 97 uM to 100 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 1 nM KHK-C. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm. 
9868	3	Biological Assay	Assay C, was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the natural substrates of the KHK enzyme. Assay C was conducted as described above for Assay B except using 8 mM fructose and 2 mM ATP, and compound concentration range of 10 uM to 1 uM or 50 uM to 5 uM using half-log dilution scheme.
9868	4	Biological Assay	Assay D, was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as 4 M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a final concentration range of 0.25 to 250 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 8 mM fructose and 1 nM KHK-A. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm.
9869	1	TR-FRET Assay for ERBB Kinases	All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A (50 mM HEPES, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 1 mM DTT, and 0.1% Pluronic F-68). Two microliters of serially diluted compound or PROTAC were then transferred to black 384-well Proxiplates (PerkinElmer, #6008260) using an Integra Viaflo96. Next, 10 uL of protein kinase in Buffer A was added to each well of the assay plate and pre-incubated with compound for 10 minutes. Kinase reactions were then initiated by addition of 5 uL substrate mix containing 3 mM ATP and 30 uM fluorescein-labeled Poly-GluTyr (Thermo Fisher, #PV3610) in Buffer A and allowed to proceed for 10 minutes at room temperature. Reactions were quenched by addition of a 5 uL mixture containing 5 nM LanthaScreen Tb-pY20 Antibody (Thermo Fisher, #PV3552) and 40 mM EDTA in Buffer A. Assay plates were then read using a Synergy2 (Biotek Instruments, Winooski, Vt.) via excitation thru a 340/20 nm bandpass filter and emission collected thru 490/10 nm (donor) and 520/25 nm (acceptor) bandpass filters. The final kinase concentrations used for each 15 uL reaction were as follows: 0.2 nM EGFR Exon20NPG (SignalChem, #E10-132GG), 0.1 nM wild type EGFR (BPS Bioscience, #40187), 0.3 nM EGFR L858R/T790M/C797S (BPS Bioscience, #40351), 0.1 nM EGFR L858R (BPS Bioscience, #40189), 0.4 nM L858R/T790M (BPS Bioscience, #40350), InM EGFR Dell9 (SignalChem, #E10-122JG), 10 nM EGFR Dell9 T790M (SignalChem, #E10-122KG), 0.3 nM Her2 (BPS Bioscience, #40230), 15 nM Her2 InsYVMA (SignalChem, #E27-13BG).
9870	1	ACCase Enzymatic Assay	 Ustilago maydis acetyl CoA carboxylase (ACCase) was cloned, expressed, and purified as described (Weatherly et al, Biochem. J., 2004) and the test compounds were tested in a 96-well plate format. Primary in vitro screening consisted of obtaining dose response data at 100, 33, 10, and 1 &#956;M inhibitor. Actives in the primary screen were re-tested to establish IC50 values.Direct detection of the conversion of acetyl CoA to malonyl CoA by ACCase was not feasible, but during this process ATP is converted to ADP which allowed for detection through a standard reaction coupling with ADP recycling to the oxidation of NADH. Thus, ACCase activity was measured via kinetic OD340 measurements of the conversion of NADH to NAD in a coupled reaction involving the conversion of phosphoenolpyruvate (PEP) to lactate.The complete 200 ul reaction mixture contained 52.5 mM HEPES (pH8), 2.625 mM MgCl2, 1 mM ATP, 0.525 mM DTT, 11 mM NaHCO3, 1% DMSO with or without inhibitor, 1× pyruvate kinase/lactate dehydrogenase (PK/LDH), 0.3 mM NADH, 0.5 mM PEP, and 5 &#956;g ACCase. The reactions were incubated at 30° C. for 10 minutes and then initiated by the addition of 0.33 mM acetyl CoA. The initiated reactions were read immediately via plate reader at OD340 and kinetic readings were acquired every 20 s for 15 minutes while keeping the temperature at 30° C.A slope of the kinetic curve was determined by using the 2 to 7 minute data which was then calculated as percent inhibition relative to the no inhibitor control.The primary screens were conducted in duplicate and the IC50&#39;s conducted in triplicate. Averages were reported along with standard deviation calculation to generate error bars.Each plate contained its own controls and consisted of a DMSO only control, 5-fold titration series of soraphen from 2 &#956;M to 3.2 nM, and an ADP coupled reaction control.In order to effectively screen out non-specific modulators of pyruvate kinase and lactate dehydrogenase (the coupled portion of the reaction), a PK/LDH inhibition test was developed. The complete 200 &#956;l reaction mixture contained 52.5 mM HEPES (pH8), 2.625 mM MgCl2, 0.525 mM DTT, 11 mM NaHCO3, 1% DMSO with or without inhibitor, 1× pyruvate kinase/lactate dehydrogenase (PK/LDH), 0.3 mM NADH, and 0.5 mM PEP. The reactions were incubated at 30° C. for 10 minutes and then initiated by the addition of 66 &#956;M ADP. The initiated reactions were read immediately via plate reader at OD340 and kinetic readings were acquired every 20 s for 15 minutes while remaining at 30° C.A slope of the kinetic curve was determined by using the 2 to 7 minute data which was then calculated as percent inhibition relative to the no inhibitor control. Those compounds which had no significant PK/LDH inhibition at or above the IC50 in the ACCase assay, were considered to be valid modulators of only ACCase.
9871	1	IP-One HTRF Assay	Inositol monophosphate (IP1) production were measured in 1321N1 cells stably expressing human PAR2 using an IP-One HTRF assay kit (Cisbio). 80 nl of compound in 100% DMSO were added in white small-volume 384-well plates using an Echo 555 (Labcyte) and were incubate for 30 min at 37° C. with 4 &#956;l of cells (15,000 cells per well) in stimulation buffer (HBSS with 20 mM HEPES, pH 7.4). IP1 production was initiated by addition of 4 &#956;l of 140 &#956;M SLIGRL-NH2 (SEQ ID NO.: 4) in stimulation buffer supplemented with 100 mM LiCl. After 60 min at 37° C. cells were lysed and IP1 concentrations were detected according to the manufacturers protocol (Cisbio). Data were normalized to IP1 concentrations using a IP1 standard curve according to the manufacturers protocol (Cisbio).
9871	2	Trypin Activated FLPR Assay	Calcium mobilization was measured using 1321N1 cells stably expressing human PAR2. Cells were seeded in 384-well plates at 4,000 cells per well in 20 &#956;l DMEM with Glutamax supplemented with 10% FBS and incubated for 18-24 h at 37° C., 5% CO2 and 95% humidity. Cells were loaded with 20 &#956;l Fluo-8 NW calcium dye (Cat: 36316, AAT Bioquest) and kept at 37° C. for 30 min prior to addition of 10 &#956;l compound prepared in 20 mM HEPES pH 7.4, HBSS, 2.5% DMSO, 0.1% BSA and 6 &#956;M Vorapaxar (to block Trypsin induced activity of PAR1). The addition was done using a FLIPRTETRA (384-well head, Molecular Devices) and the response was read simultaneously to detect any agonist activity. The cells were incubated for 30 min at room temperature with the compounds and were then evaluated for antagonist activity by addition of 10 &#956;l 234 nM Trypsin prepared in 20 mM HEPES pH 7.4, HBSS and 0.1% BSA and simultaneous detection of calcium mobilization using the FLIPRTETRA.
9872	1	PARG assay	PARG In vitro assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length PARG (Produced internally by Astra Zeneca), used at a final reaction concentration of 80 &#956;M, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 10 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61 HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620x104 for each well and used to calculate percent inhibition for test compounds.
9872	2	ARH3 Assay	ARH3 In vitro selectivity assays were conducted in a total volume of 15 ul in a standard 384 well format. 5 ul of Human Full Length ARH3 (Enzo Life Sciences: ALX-201-292), used at a final reaction concentration of 17.5 nM, was added to 5 ul of Ribosylated PARP substrate (also produced internally by Astra Zeneca) at final reaction concentration of 4.5 nM in assay buffer (50 mM Tris pH7.4, 0.1 mg/ml BSA, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 50 mM KCl). The reaction was incubated at room temperature for 30 minutes and then 5 ul detection reagent was added. Detection Reagent consists of 42 nM MAb Anti-6HIS XL665 (CisBio: 61HISXLB) and 2.25 nM Streptavidin Europium Cryptate (CisBio: 610SAKLB), both at 3× working stock concentrations (final concentrations of 14 nM and 0.75 nM respectively), in a detection buffer of 50 mM Tris pH7.4, BSA at 0.1 mg/ml and KF at 100 mM. Following incubation at room temperature for 60 minutes in the dark, TR-FRET signal was measured at Ex 340 and Em 665 and Em 620. A ratio was calculated as Em665/EM620x104 for each well and used to calculate percent inhibition for test compounds.
9872	3	PARP1 Assay	PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones. 5 ul of Human High specific Activity PARP1 (Trevigen: 4668-100-01) was used at a final reaction concentration of 0.02 units/ml in 1×PARP Buffer (Trevigen: 4671-096-02) with 5 ul of 1×PARP cocktail, which is a mixture of 10×PARP Cocktail (Trevigen: 4671-096-03), 10× Activate DNA (Trevigen: 4671-096-06) and 20×PARP Buffer (as above). The reaction was incubated at room temperature for 60 minutes to allow histones on the coated plate to become PARylated. The wells were then washed with PBS/0.1% Triton X100. PARP1 activity was then detected by measuring the extent of PARylation. Firstly, 10 ul of Streptavidin-HRP (Trevigen: 4800-30-06), diluted 1 in 250 in 1×PARG Assay Buffer (Trevigen: 4680-096-02), was added to each well and incubated at room temperature for 60 minutes. Secondly, following another wash with PBS/0.1% Triton X100, Peroxy Glow Reagents A and B (Trevigen: 4675-096-01 and 4675-096-02) were mixed in equal quantities immediately before use and 100 ul was added to each well. Luminescence signal was then measured immediately.
9873	1	Determination of Binding Affinity for CGRP Receptor by Radioligand Binding Assay in SK-N-MC Cell Membranes	The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neuroblastoma cell line SK-N-MC cell membranes.Cell membranes prepared from SK-N-MC cells expressing CGRP receptors endogenously (Muff et al., Ann N Y Acad Sci. 1992; 657: 106-116) were used for radioligand binding assay. Radioligand binding assay was performed using 96-well microplate in a total volume of 200 &#956;L in each well. A 2.5 &#956;L of serial dilution of compound dissolved in dimethylsulfoxide (DMSO) was mixed with SK-N-MC cell membranes (40 &#956;g membrane protein per well) and [125I]-CGRP (PerkinElmer NEX354, final concentration of 150 pM) in an assay buffer consisting of 50 mM Tris-HCl, 5 mM MgCl2 and 0.1% bovine serum albumin (pH 7.4). The assay plate was incubated with shaking on a plate shaker at room temperature for 90 minutes. The incubation was terminated by filtration through a GF/C glass fiber filter plate (Merck Millipore) pre-soaked with 0.3% polyethyleneimine (PEI). Filters were washed 4 times with 300 &#956;L of ice-cold assay buffer. After drying the filter plate, 100 &#956;L of scintillation fluid (PerkinElmer, MicroScint-20) was added to each well and the radioactivity was counted using a TopCount NXT (PerkinElmer). Non-specific binding was determined in the presence of 1.25 &#956;M unlabelled human &#945;-CGRP (Bachem). The radioactivity was converted to the percent of specific binding using the equation below.% &#8290; &#8290; of &#8290; &#8290; specific &#8290; &#8290; binding = ( Y - Y &#8290; &#8290; min ) ( Y &#8290; &#8290; max - Y &#8290; &#8290; min ) × 100 [ Number &#8290; &#8290; 1 ]In the formulae, Y is observed radioactivity, Ymax is total bound activity, and Ymin is non-specific bound activity.From these data, the concentration of compound required for 50% inhibition of radioligand binding (IC50) was determined using Prism (GraphPad Inc.). The IC50 value is then converted to the equilibrium dissociation constant (Ki) using the Cheng-Prusoff equation below (Cheng & Prusoff (1973) Biochem. Pharmacol. 22, 3099-3108).Ki = IC 50 1 + [ L ] Kd [ Number &#8290; &#8290; 2 ]In the formulae, [L] is the concentration of radioligand, Kd is the apparent dissociation constant of the radioligand for the receptor as determined by saturation binding assay with [125I]-CGRP.
9874	1	LOX Enzyme Activity Assay	The following reagents were prepared:Reagents500 mM CHES, pH 9 (with NaOH), filtered (MW=207.29)20.7 g in 200 ml in dH2O10% Pluronic F-127 (store at 4° C.)1 g in 10 ml in dH2O10 % BSA (store at 4° C.)&#8722;2.5 g in 25 ml dH2O1 M MgCl2.6H2O (MW=203)5.1 g in 25 ml dH2O5 M Urea (MW=60.06)60 g in 200 ml dH2O5 M NaCl (MW=58.44)14.6 g in 50 ml dH2O8.5 M Cadaverine Dihydrochloride (MW=175.10): Sigma, Cat No: C85611.49 g in 1 ml dH2O10 mM Na3VO4, pH 10 (with HCl), boil to activate (MW=183.91): Sigma, Cat No: S65080.1839 g in 10 ml dH2O20 mM Amplex Red (MW=257.25): Invitrogen, Cat No: A12222.5 mg in 1 ml DMSO (aliquot into 40 &#956;l and store at &#8722;20° C.)1000 U/ml HRP in dH2O (store at 4° C.): Sigma, Cat No: P2088H2O2 (store at 4° C.): Sigma, Cat No: H1009DMSOLOX Assay Buffer: Volume (&#956;l) Reagent 1 × plate Final Concn 500 mM CHES, pH 9 5000 100 mM 10% Pluronic F-127 125 0.05% 10% BSA 1250 0.5% 1M MgCl2 25 &#8195;1 mM 5M Urea 5000 1M 5M NaCl 500 100 mM dH2O 13100 &#151; Total Volume 25 000 &#151;Inhibitors (Test Compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.LOX enzyme:LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX enzyme in Assay Buffer (&#152;4 ml for one plate, 8 ml for two plates) (dilution dependent on batch activity)2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of positive control, BAPN, down column 11 (no duplication)4. Add following controls: 0.5 &#956;l DMSO (100% activity control)5. Cover plate and incubate for 20 min at room temperature on a plate shaker6. Prepare Start Mix: Volume Reagent 1 × plate 2 × plate Final Concn Assay Buffer 2 ml 3 ml &#151; 8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mM 20 mM Amplex Red 10 &#956;l 15 &#956;l 100 &#956;M 1000 U/ml HRP 10 &#956;l 15 &#956;l 5 U/ml7. Add 10 &#956;l Start Mix to No HRP control wells8. Add HRP to the Start Mix. Add 10 ul to all wells EXCEPT No HRP control wells9. Incubate for 45 min at room temp on a plate shaker, protected from light10. Measure fluorescence using a plate reader: Excitation wavelength: 545 nm Emission wavelength: 585 nm HRP Counter Assay Protocol1. Dilute 5 &#956;l H2O2 in 640 &#956;l dH2O. Add 1 &#956;l diluted H2O2 to 10 ml Assay Buffer. Vortex2. Add 40 &#956;l H2O2+Assay Buffer into every well on the counter assay plate EXCEPT no H2O2 control wells (add 40 &#956;l Assay Buffer only)3. Add 0.5 &#956;l test compound serial dilutions, in duplicate4. Add 0.5 &#956;l serial dilutions of positive control, Na3VO4, down column 11 (no duplication)5. Add following controls: 0.5 &#956;l DMSO (100% activity control) 1 &#956;l diluted H2O2 (blow out control)6. Incubate for 20 min at room temp on a plate shaker.
9874	2	LOXL2 Enzyme Activity Assay (20 minutes)	The following reagents were prepared:Reagents500 mM CHES, pH 9 (with NaOH), filtered (MW=207.29)20.7 g in 200 ml in dH2O10% Pluronic F-127 (store at 4° C.)1 g in 10 ml in dH2O10% BSA (store at 4° C.)&#8722;2.5 g in 25 ml dH2O1 M MgCl2.6H2O (MW=203)5.1 g in 25 ml dH2O5 M Urea (MW=60.06)60 g in 200 ml dH2O5 M NaCl (MW=58.44)14.6 g in 50 ml dH2O8.5 M Cadaverine Dihydrochloride (MW=175.10): Sigma, Cat No: C85611.49 g in 1 ml dH2OPromega ROS-Glo H202 Assay Kit, 50 mlCat No. G8821DMSOLOXL2 Assay Buffer: Volume (&#956;l) Reagent 1 × plate Final Concn 500 mM CHES, pH 9 5000 100 mM 10% Pluronic F-127 125 0.05% 10% BSA 1250 0.5% 1M MgCl2 25 &#8195;1 mM 5M Urea 5000 1M 5M NaCl 500 100 mM dH2O 13100 &#151; Total Volume 25 000 &#151;Inhibitors (Test Compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.LOXL2:LOXL2 batch is obtained from R&D systems/Bio-techneAssay Plates: 96 well white polystyrene, flat bottom plates, no lid: Fisher, Cat No. DPS-134-050AProcedure:1. Dilute LOXL2 enzyme in Assay Buffer (&#152;4 ml for one plate, 8 ml for two plates) (dilution dependent on batch activity)1. Add 0.5 &#956;l test compound serial dilutions, in duplicate2. Add 0.5 &#956;l serial dilutions of positive control, BAPN, down column 11 (no duplication)3. Add following controls: 0.5 &#956;l DMSO (100% activity control)4. Cover plate and incubate for 20 minutes (Method (a) in Table 1), 60 minutes (Method (b) in Table 1) or 20 hours (Method (c) in Table 1), at room temp on a plate shaker5. Prepare Start Mix: Volume Reagent 1 × plate 2 × plate Final ConcnAssay Buffer 2 ml 3 ml &#151;8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mMH2O2 Substrate (1:80) 25 &#956;l 37.5 &#956;l 125 &#956;M6. Add 10 &#956;l Start Mix to all wells7. Incubate for 60 min at room temp on a plate shaker8. Prepare Detection Reagent: Volume Reagent 1 × plate 2 × plate Luciferin 5 ml 10 ml D-cysteine (1:100) 50 &#956;l 100 &#956;l Signal Enhancer (1:100) 50 &#956;l 100 &#956;l9. Add 50 &#956;l Detection Regent to each well EXCEPT No Luciferin controls (add 50 82 l assay buffer)10. Incubate for 20 min at room temp on a plate shaker, protected from light11. Measure luminescence using a plate reader (integration 500 ms)Values for the blank (no LOXL2 controls) are subtracted from all samples. The DMSO controls are set as 100% activity and samples are calculated as a % of the DMSO control. Data is plotted using Graph pad Prism software, and a non-linear regression line is calculated using a variable slope sigmoidal dose response equation.:Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((LogIC50&#8722;X)*HillSlope)).Where X is the logarithm of concentration and Y is the response. The IC50 is the concentration of the drug that produces a percentage control fluorescence value midway between the saturation and zero effect plateaus. Two independent assays are usually performed, and the mean IC50 is reported.
9874	3	LOXL2 Enzyme Activity Assay (20 hours)	10. Incubate for 20 hrs at room temp on a plate shaker, protected from light.
9874	4	Monoamine Oxidase A (MAO-A) Selectivity Assay	The following reagents were prepared:ReagentsMAO-Glo Assay Kit: Promega, Cat No. V1402MAO-A Enzyme: Promega, Cat No. V1452Clorgyline: Sigma, Cat No. M3778 (50 mg)Assay Plates: 96 well white polystyrene, flat bottom plates, no lid: Fisher, Cat No. DPS-134-050AInhibitors (Test Compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Procedure:1. Dilute MAO substrate 1:50 with MAO A reaction buffer and add 25 &#956;l to each well of a 96 well plate        Require 2.8 ml: 56 &#956;l MAO substrate+2744 &#956;l reaction buffer2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of Clorgyline (positive control) down column 11 (no duplication)4. Add 25 &#956;l specific MAO enzyme dilution:        dilute 1:520 with MAO-A specific reaction buffer            (5.3 &#956;l MAO-A+2750.7 &#956;l reaction buffer)5. Add following controls, in duplicate, down column 12:        No Luciferin: 25 &#956;l MAO enzyme        DMSO: 0.5 &#956;l DMSO+25 &#956;l MAO enzyme        Blow Out: 1 &#956;l undiluted MAO-A enzyme+24 &#956;l reaction buffer6. Incubate for 1 hour at room temp on a plate shaker7. Add 50 &#956;l Luciferin detection reagent to each well EXCEPT no luciferin control wells (add 50 &#956;l reaction buffer)8. Incubate for 20 min at room temp on a plate shaker, protected from light9. Measure the luminescence using a plate reader (read mode: luminescence 500 ms/well)Values for the blank (no MAO-enzyme controls) are subtracted from all samples. The DMSO controls are set as 100% activity and samples are calculated as a % of the DMSO control. Data is plotted using Graph pad Prism software, and a non-linear regression line is calculated using a variable slope sigmoidal dose response equation:Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((LogIC50&#8722;X)*HillSlope)).Where X is the logarithm of concentration and Y is the response. The IC50 is the concentration of the drug that produces a percentage control fluorescence value midway between the saturation and zero effect plateaus. Two independent assays are usually performed, and the mean IC50 is reported.
9874	5	Monoamine oxidase B (MAO-B) Selectivity Assay 	The following reagents were prepared:ReagentsMAO-Glo Assay Kit: Promega, Cat No. V1402MAO-B Enzyme: Sigma, Cat No. M7441Deprenyl: Sigma, Cat No. M003Assay Plates: 96 well white polystyrene, flat bottom plates, no lid: Fisher, Cat No. DPS-134-050AInhibitors (Test Compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Procedure:1. Dilute MAO substrate 1:50 with MAO A reaction buffer and add 25 &#956;l to each well of a 96 well plate        Require 2.8 ml: 56 &#956;l MAO substrate+2744 &#956;l reaction buffer2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of Deprenyl (positive control) down column 11 (no duplication)4. Add 25 &#956;l specific MAO enzyme dilution:        MAO-B (plate 2): dilute 1:52 with MAO-B specific reaction buffer            (53 &#956;l MAO-B+2703 &#956;l reaction buffer)5. Add following controls, in duplicate, down column 12:        No Luciferin: 25 &#956;l MAO enzyme        DMSO: 0.5 &#956;l DMSO+25 &#956;l MAO enzyme        Blow Out: 1 &#956;l undiluted MAO-A enzyme+24 &#956;l reaction buffer6. Incubate for 1 hour at room temp on a plate shaker7. Add 50 &#956;l Luciferin detection reagent to each well EXCEPT no luciferin control wells (add 50 &#956;l reaction buffer)8. Incubate for 20 min at room temp on a plate shaker, protected from light9. Measure the luminescence using a plate reader (read mode: luminescence 500 ms/well)Values for the blank (no MAO enzyme controls) are subtracted from all samples. The DMSO controls are set as 100% activity and samples are calculated as a % of the DMSO control. Data is plotted using Graph pad Prism software, and a non-linear regression line is calculated using a variable slope sigmoidal dose response equation:Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((LogIC50&#8722;X)*HillSlope)).Where X is the logarithm of concentration and Y is the response. The IC50 is the concentration of the drug that produces a percentage control fluorescence value midway between the saturation and zero effect plateaus. Two independent assays are usually performed, and the mean IC50 is reported.
9874	6	LOX Activity in Cysts Assay	Cell Culture and TransfectionAll cell lines used in this study was purchased from American Type Culture Collection (ATCC). Mycoplasma contamination was routinely monitored by PCR. Cells used were not found to be Mycoplasma positive. MDCK cell lines were cultured in Dulbecco&#39;s Modified Eagle Medium (DMEM) supplemented with 10% fetal bovine serum (FBS) and 1% Penicillin Streptomycin solution (Pen Strep). For GFP constructs transfection in MDCK cells, lipofectamine 3000 was used according to manufactures protocols. Cells were either selected with G418 (Life Technologies) at 5 mg/ml. All cell culture reagents were purchased from Life Technologies.To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 10 days before subsequent studies.Cloning of LOX Expression ConstructsMouse LOX cDNA was purchased from OriGene. Full length LOX cDNA was then PCR cloned into pEGFP-N1 (Clonetech), or biosensor vector proGFP2-N1 (Hanson, 2004) using the following primers, GAGAGAGCTAGCATGCGTTTCGCCTGGG (SEQ. ID NO. 1) (forward primer) and TCTCTCCTCGAGATACGGTGAAATTGTGCAGCC (SEQ. ID NO. 2) (reverse primer). For the insertion into pEGFP-N1 or proGFP2-N1, Nhel and Xhol restriction sites were added to forward and reverse primers accordingly. Mutant LOX constructs were made using QuickChange II site-directed mutagenesis kit (Agilent Technologies) following manufacture&#39;s protocol using LOX-GFP as template. To generate, roGFP2 versions of LOX mutant constructs, LOX mutant cDNA was transferred from pEGFP-N1 to proGFP2-N1 using Nhel and Xhol.Confocal Imaging and Imaging AnalysisAll photomicrographs were taken with a Leica TCS SP8 X confocal system. For LOX biosensor imaging, live MDCK cysts were used. The oxidised biosensor was excited using a 405 nm laser, while the reduced biosensor was excited with a 488 nm laser. Emission of the biosensor was recorded at 500 nm&#152;530 nm range using sequential scans. Ratio images were generated following a published protocol {Kardash, 2011 #376}. Note, while the published protocol generates YFP/CFP ratio images, we used it to generate Oxidised/Reduced (roGFP2 ratio) ratio images. The roGFP2 ratio at the basal surface of MDCK cysts was used to indicate LOX inhibition. LOX inhibitors were added 30min prior to imaging at 20 uM.
9874	7	Diamine Oxidase (DAO) Selectivity Assay	ReagentsPromega ROS-Glo H2O2 Assay Kit, 50 ml. Cat No. G8821Inhibitors (Test Compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Positive Control (Aminoguanidine):1 mM stock diluted to 1 to 0.0001 and 0.00003 mM in drug plate, resulting in a concentration of 3 to 0.001 and 0.0003 uM in the assay.DAO:DAO batch is obtained from Sigma Enzyme is reconstituted in sodium phosphate buffer at 10 mg/mLAssay Plates: 96 well white polystyrene, flat bottom plates: Fisher, Cat No. DPS-134-050AProcedure:1. Dilute 400 ul DAO enzyme in 4 mL Assay Buffer (enough for one plate). Add 40 ul DAO enzyme to all wells (excluding G+H 12, assay buffer only)3. Add 0.5 &#956;l test compound serial dilutions, in duplicate4. Add 0.5 &#956;l serial dilutions of Aminoguanidine down column 11 and to E+F 125. Add 0.5 &#956;l DMSO (100% activity control) to C+D 126. Cover plate and incubate for 20 minutes at room temp on a plate shaker7. Prepare Start Mix: Volume Reagent 1 × plate 2 × plate Final ConcnAssay Buffer 2 ml 3 ml &#151;8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mMH2O2 Substrate (1:80) 25 &#956;l 37.5 &#956;l 125 &#956;M8. Add 10 &#956;l Start Mix to all wells9. Incubate for 60 min at room temp on a plate shaker10. Prepare Detection Reagent: Volume Reagent 1 × plate 2 × plate Luciferin 5 ml 10 ml D-cysteine (1:100) 50 &#956;l 100 &#956;l Signal Enhancer (1:100) 50 &#956;l 100 &#956;l11. Add 50 &#956;l Detection Regent to each well EXCEPT No Luciferin controls (A+B 12, add 50 &#956;l assay buffer)12. Incubate for 20 min at room temp on a plate shaker, protected from light13. Measure luminescence using a plate reader (integration 500 ms)Values for the blank (no DAO controls) are subtracted from all samples. DMSO controls are set as 100% activity and samples are calculated as a % of the DMSO control. Data is plotted using Graphpad Prism software, and a non-linear regression line is calculated using a variable slope sigmoidal dose response equation.:Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((LogIC50&#8722;X)*HillSlope)).Where X is the logarithm of concentration and Y is the response. The IC50 is the concentration of the drug that produces a percentage control fluorescence value midway between the saturation and zero effect plateaus. Two independent assays are usually performed, and the mean IC50 is reported.
9874	8	LOXL2 Enzyme Activity Assay (i hour)	10. Incubate for 1 hr at room temp on a plate shaker, protected from light.
9875	1	ERK2 Enzymatic Assay	To assess compounds capacity to inhibit ERK2 enzymatic activity, Z&#8242;-Lyte biochemical assay from Life technologies was used according to manufacturer&#39;s instructions. Briefly, black 384-well plates containing 100 nl of 100× compound solution in 100% DMSO, 2.4 &#956;l kinase buffer, 5 &#956;l 2×MAPK1 (ERK2)/Ser/Thr 03 mixture and 2.5 &#956;l 4×ATP solution were used. Plates were shaken for 30 seconds and incubated for 60 minutes at room temperature. Then, 5 &#956;l of a 1:1024 dilution of Development Reagent A was added. Plates were shaken for 30 seconds and incubated for 60 minutes at room temperature. A plate reader was used to read fluorescence. In this assay, ERK2 enzyme was used at a concentration of 0.4 &#956;g/ml (5.74 nM) at ATP Km (100 &#956;M). Kinase buffer consisted of 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. Compounds IC50 were determined with a 3-fold serial dilution (10 point titrations in duplicate).
9876	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in Mcllvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
9877	2	Fluorescence MPro inhibition assay	Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for a uniform concentration in assay plates (DMSO concentration maximum 1%) Screening assays were performed in duplicate at 20uM and 50uM. Hits of greater than 50% inhibition at 50uM were confirmed by dose response assays. Dose response assays were performed in 12 point dilutions of 2-fold, typically beginning at 100uM. Highly active compounds were repeated in a similar fashion at lower concentrations beginning at 10uM or 1uM. Reagents for Mpro assay were dispensed into the assay plate in 10ul volumes for a final volume of 20uL. Final reaction concentrations were 20mM HEPES pH7.3, 1.0mM TCEP, 50mM NaCl, 0.01% Tween-20, 10% glycerol, 5nM Mpro, 375nM fluorogenic peptide substrate ([5-FAM]-AVLQSGFR-[Lys(Dabcyl)]-K-amide). Mpro was pre-incubated for 15 minutes at room temperature with compound before addition of substrate and a further 30 minute incubation. Protease reaction was measured in a BMG Pherastar FS with a 480/520 ex/em filter set. Raw data was mapped and normalized to high (Protease with DMSO) and low (No Protease) controls using Genedata Screener software. Normalized data was then uploaded to CDD Vault (Collaborative Drug Discovery). Dose response curves were generated for IC50 using nonlinear regression with the Levenberg Marquardt algorithm with minimum inhibition = 0% and maximum inhibition = 100%.
9877	1	RapidFire MPro inhibition assay	The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) using an ECHO 650T dispenser and DMSO was back-filled for a uniform concentration in assay plates (DMSO concentration < 1%, final volume = 500 nL.). A 15 uM enzyme stock solution is prepared in 20 mM HEPES, pH 7.5 and 300 mM NaCl, and subsequently diluted to a working solution of 300 nM Mpro in assay buffer (20 mM HEPES, pH 7.5 and 50 mM NaCl) before the addition of 25 uL to each well using a Multidrop Combi (Thermo Scientific). After a quick centrifugation step (1000 rpm, 15 s) the plate is incubated for 15 min at room temperature. The reaction is initiated with the addition of 25 uL of 4 uM 11-mer (TSAVLQSGFRK-NH2, initially custom synthesized by the Schofield group, GLBiochem, used until March 2021), or 10 uM 37-mer (ALNDFSNSGSDVLYQPPQTSITSAVLQSGFRKMAFPS-NH2, GLBiochem, used after March 2021), dissolved in assay buffer. After centrifugation (1000 rpm, 14 s) the reaction is incubated for 10 min (11-mer) or 5 min (37-mer) at room temperature before quenching with 10 % formic acid. The reactions are analysed with MS using RapidFire (RF) 365 high-throughput sampling robot (Agilent) connected to an iFunnel Agilent 6550 accurate mass quadrupole time-of-flight (Q-TOF) mass spectrometer using electrospray. All compounds are triaged by testing the % inhibition at 5 and 50 uM final concentration. Dose response curves uses an 11-point range of 100--0.0017 uM inhibitor concentrations. RapidFire integrator software (Agilent) was used to extract the charged states from the total ion chromatogram data followed by peak integration. For the 11-mer peptide the m/z (+1) charge states of both the substrate (1191.67 Da) and cleaved N-terminal product TSAVLQ (617.34 Da) were used and the 37-mer peptide the m/z (+2) charge states of the substrate (3960.94 Da) and m/z (+1) of the cleaved C-terminal product SGFRKMAFPS (1125.57 Da). Percentage conversion (product peak integral / (product peak integral + substrate peak integral))*100) and percentage inhibitions were calculated and normalised against DMSO control with deduction of any background signal in Microsoft Excel. IC50s were calculated using Levenberg Marquardt algorithm used to fit a restrained Hill equation to the dose-response data with both GraphPad PRISM and CDD.
9878	1	PLpro Primary Assay	The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 384-well plates containing a final reaction volume of 50 uL. The assays were assembled at room temperature as follows: 40 uL of 50 nM PLpro in buffer B (50 mM HEPES, pH 7.5, 0.1 mg/mL BSA, 0.01% Triton-X 100, and 5 mM DTT) was dispensed into wells containing 0.1&#8722;1 uL of inhibitor in DMSO or appropriate controls. The enzyme was incubated with inhibitor for 10 min prior to substrate addition.  Reactions were initiated with 10 uL of 62.5 uM RLRGG-AMC in buffer B. Plates were shaken vigorously for 30 s, and fluorescence from the release of AMC from peptide was monitored continuously for 15 min on a Tecan Infinite M200 Pro plate reader (&#955;excitation = 360 nm; &#955;emission = 460 nm). Slopes from the linear portions of each progress curve were recorded and normalized to plate-based controls. Positive control wells, representing 100% inhibition, included 10 uM GRL0617; negative control wells, representing 0% inhibition, included the vehicle.  The selectivity of the most potent inhibitors was tested against the human deubiquitinating enzymes USP7 and USP14 (Boston Biochem). Assay conditions were similar to the PLpro primary assay, with the following substitutions: USP7 assays contained 4 nM USP7 and 0.5 uM Ub-AMC (Boston Biochem); USP14 assays contained 1.7 uM USP14, 4 uM Ub-AMC, and the addition of 5% glycerol to buffer B. PLpro activity with ISG15-AMC and Ub-AMC were assayed in a manner similar to the PLpro primary assay. PLpro and substrate concentrations were modified as follows: 80 nM PLpro was assayed with 0.5 uM Ub-AMC, and 4 nM PLpro was assayed with 0.5 uM ISG15-AMC.
9878	2	Secondary Binding Analysis by Surface Plasmon Resonance	The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immobilized on a CM5 sensor chip by standard amine coupling with running buffer PBSP (10 mM phosphate, pH 7.4, 2.7 mM KCl, 137 mM NaCl, 0.05% Tween-20). The CM5 sensor chip surface was first activated by 1-ethyl-3-(3- (dimethylamino)propyl)carbodiimide hydrochloride (EDC)/N-hydroxysuccinimide (NHS) mixture using a Biacore 8K instrument (Cytiva). SARS-CoV-2 PLpro enzyme was immobilized to flow channels 1&#8722;4 followed by ethanolamine blocking on the unoccupied surface area, and immobilization levels for all four channels were similar at 12,000 RU. Each flow channel has its own reference channel, and blank immobilization using EDC/NHS and ethanolamine was done for all reference channels. Compound solutions with a series of increasing concentrations (0.049&#8722;30 uM at 2.5-fold dilution) were applied to all active and reference channels in SPR binding buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, and 0.05% Tween-20, 0.5 mM TCEP, and 2% DMSO) at a 30 uL/min flow rate at 25 °C. The data were double referenced with a reference channel and zero concentration (2% DMSO) responses, and reference subtracted sensorgrams were fitted with 1:1 Langmuir kinetic model using a Biacore Insight evaluation software, producing two rate constants (ka and kd) (Figure S1). The equilibrium dissociation constants (KD) were determined from two rate constants (KD = kd/ ka). For steady-state affinity fittings, response units at each concentration were measured during the equilibration phase, and the KD values were determined by fitting the data to a single rectangular hyperbolic curve equation, where y is the response, ymax is the maximum response, and x is the compound concentration.
9878	3	Antiviral Activity Assay	A549-hACE2 cells were seeded 1.5 × 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 °C and 5% CO2. Cells were pretreated with compound for 1 h prior to infection performed using a clinical isolate of SARS-CoV-2 (SARS-CoV-2, isolate USA-WA1/ 2020) from BEI Resources. When 2-fold serial dilutions of compound (0.15&#8722;20 &#956;M; remdesivir: 10 &#956;M) added to the same volume of SARS-CoV-2 (final MOI = 0.01), the mixture was added to the monolayer cells and incubated for 1 h at 37 °C and 5% CO2. Afterward, the mixture was removed and replaced with 0.5 mL of infection media and incubated at 37 °C and 5% CO2. After 48 h, supernatants were harvested and processed for RT-qPCR.
9879	1	IC50 Value Determination	IC50 values were determined for compounds that covalently inhibit SARS-CoV-2 3CLpro using our recently described assay and data fitting methods that were derived from our previous study on SARS-CoV 3CLpro and inhibition by chloropyridyl esters. The only difference was that the preincubation time of the enzyme with the compounds was 10 min instead of 20 min. In addition, the Morrison equation was only used to determine the IC50 value when the concentration was below 1 &#956;M.
9879	2	Antiviral assay 	VeroE6 cells and TMPRSS2-overexpressing VeroE6 (VeroE6TMPRSS2) cells were obtained from the Japanese Collection of Research Bioresources (JCRB) Cell Bank (Osaka, Japan). VeroE6 cells were maintained in Dulbecco s modified Eagle s medium (d-MEM) supplemented with 10% fetal bovine serum (FCS), 100 &#956;g/ml of penicillin, and 100 &#956;g/ml of streptomycin. VeroE6TMPRSS2 cells were maintained in d-MEM as reported (ref.1) in the presence of 1 mg/ml of G418. SARS-CoV-2 strain JPN/TY/WK-521 (SARS-CoV-2WK-521) was obtained from the National Institute of Infectious Diseases (Tokyo, Japan).Antiviral assay was carried out as described recently (ref 1): Cells were seeded in a 96-well plate (2x104 cells/well) and incubated. After 24 h, virus was inoculated into cells at multiplicity of infection (MOI) of 0.05. After an additional 72 h, cell culture supernatants were harvested and viral RNA was extracted using a QIAamp viral RNA minikit (Qiagen, Hilden, Germany), and quantitative RT-PCR (RT-qPCR) was then performed using One Step PrimeScript III RT-qPCR mix (TaKaRa Bio, Shiga, Japan) following the instructions of the manufacturers. The primers and probe used for detecting SARS-CoV-2 envelope (6) were 5=-ACT TCT TTT TCT TGC TTT CGT GGT-3= (forward), 5=-GCA GCA GTA CGC ACA CAA TC-3= (reverse), and 5=-FAM-CTA GTT ACA CTA GCC ATC CTT ACT GC-black hole quencher 1 (BHQ1)-3= (probe). To determine the cytotoxicity of each compound, cells were seeded in a 96-well plate (2_104 cells/well). One day later, various concentrations of each compound were added, and cells were incubated for additional 3 days. The 50% cytotoxic concentrations (CC50) values were determined using the WST-8 assay and Cell Counting Kit-8 (Dojindo, Kumamoto, Japan).
9880	1	Various Assay	Please point to the patents.
9881	1	fluorescence resonance energy transfer (FRET)-based substrate cleavage assay	The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-ready plates containing compound. The enzymatic reaction was then immediately initiated with the addition of 5 &#956;l substrate in assay buffer. Final concentrations of respective protease and substrate are shown in the table below. Initial rates were measured by following the fluorescence of the cleaved substrate using a Spectramax (Molecular Devices) fluorescence plate reader in the kinetic format.
9881	2	veroE6 en ACE2 CPE assay	VeroE6 cells were sorted for ACE2 expression by flow cytometry to generate clonal VeroE6 cells that are enriched for ACE2 surface expression. The ACE2 enriched VeroE6 cells expression were batched innoculated with SARS-CoV-2 (USA_WA1/2020) at a multiplicity of infection (MOI) of 0.002 in a BSL-3 lab (Southern Research Institute). Virus innoculated cells were then added to assay ready compound plates at a density of 4,000 cells/well in DMEM containing 2% heat inactivated FBS. Cells were incubated for 3 days at 37 °C with 5% CO2, a time at which virus induced CPE is 95% in the untreated, infected control conditions.
9882	1	In Vitro Acetyl-CoA Carboxylase (ACC) Inhibition Assay	An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention toward either ACC1 or ACC2, follows. The ADP-Glo Kinase Assay kit from Promega was used. The ADP-Glo Kinase Assay is a luminescent ADP detection assay to measure enzymatic activity by quantifying the amount of ADP produced during an enzyme reaction. The assay is performed in two steps; first, after the enzyme reaction, an equal volume of ADP-Glo Reagent is added to terminate the reaction and deplete the remaining ATP. Second, the Kinase Detection Reagent is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. Luminescence can be correlated to ADP concentrations by using an ATP-to-ADP conversion curve. The detailed procedure is as follows. 50 &#956;L of the compound being tested (600 uM in DMSO) was added to a 384-well dilution plate. The compound was diluted 1:3 in succession in DMSO for each row for 11 wells. 0.5 &#956;L ACC2 working solution was added to 384-well white Optiplate assay plate. 0.5 &#956;L diluted compound solution in each column from step 2 to assay plate, each row containing 2 replicates. For the last 2 rows, add 0.5 &#956;L negative control (DMSO) in one row and 0.5 &#956;L positive control (compound 1-97) in the other. The plates were incubated at room temperature for 15 minutes. 5 &#956;L substrate working solution was added to each well to initiate reaction. Final ACC2 reaction concentrations consist of: 5 nM ACC2, 20 &#956;M ATP, 20 &#956;M acetyl-CoA, 12 mM NaHCO3, 0.01% Brij35, 2 mM DTT, 5% DMSO, test compound concentrations: 30 &#956;M, 10 &#956;M, 3.33 &#956;M, 1.11 &#956;M, 0.37 &#956;M, 0.123 &#956;M, 0.0411 &#956;M, 0.0137 &#956;M, 0.00457 &#956;M, 0.00152 &#956;M, and 0.00051 &#956;M. Plates were incubated at room temperature for 60 minutes. 10 &#956;L ADP glo reagent was added. Plates were incubated at room temperature for 40 minutes. 20 &#956;L kinase detection reagent was added. Plates were incubated at room temperature for 40 minutes, then read on a Perkin Elmer EnVision 2104 plate reader for luminescence as Relative Light Units (RLU).Data for each concentration, as well as the positive and negative controls were averaged, and the standard deviation calculated. Percent inhibition was calculated by the formula: 100×(average negative control-compound)/(average negative control-average positive control). The IC50 for each compound was calculated by fitting the data with a non-linear regress ion equation: Y=Bottom+(Top&#8722;Bottom)/(1+10((Log IC50&#8722;X* HillSlope)), where X is the log of compound concentration and Y is percent inhibition.As shown in the following table, tested compounds of t
9883	1	Inhibition Assay	Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as a His-tagged protein. Purified His-KRas G12D protein was diluted in buffer-I to a final concentration of 3-10 &#956;g/ml. 200 &#956;l of the diluted His-KRas G12D protein was added to a nickel coated 96 well plate and incubated overnight at 4° C. The next day, wells were washed 3× in 200 &#956;l of Buffer-I. Then 200 &#956;l of Buffer-I were added to each well in the presence of 1% DMSO. Tested compounds were added to the protein-coated wells at a concentration of 20 &#956;M, and incubated for 3 hours at room temperature. While performing IC50 measurements a serial dilution of all tested concentrations was prepared.Then 22 &#956;l of Cy3-GTP or Cy5-GTP was added to each well. The labeled GTP was incubated for 45 min. at room temperature. Following GTP incubation, wells were washed 3× in Buffer-I, and 200 &#956;l of Buffer-I were added to each well. Following washes, the amount of bound labeled-GTP was measured with an Eppendorf AF2200 plate reader.
9884	1	Pharmacological Activity Assay	Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the presence of ascorbate, which reacts with MPO-derived hypochlorous acid (HOCl) to form dehydro-ascorbate. The loss of ascorbate is followed by measuring absorbance at 260 nm.Assay buffer: 100 &#956;M diethyl triamine pentaacetic acid (DTPA) in buffer consisting of 10 mM Na2HPO4/NaH2PO4, 3 mM KCl in 140 mM NaCl, pH 7.4.Enzyme solution: MPO purified from the human cell line HL60, 1.38 nM (final concentration 0.7 nM) and L-ascorbate, 100 &#956;M (final concentration 50 &#956;M) in Assay bufferSubstrate solution: H2O2, 98 &#956;M (final concentration 49 &#956;M)Forty &#956;L of the enzyme solution was added to 0.6 &#956;L compound serially diluted in DMSO. Absorbance was measured at 260 nm to obtain a compound blank value. After an additional 10 min, 40 &#956;L of the substrate solution was added and the absorbance at 260 nm was recorded between 4 and 40 min to obtain kinetic readings of enzyme activity. IC50 values of the compounds tested were obtained using recordings of absorbance at 260 nm 20 minutes after substrate addition and calculated using standard procedures.To detect thyroid peroxidase (TPO) inhibitory activity, the production of hypoiodous acid (HOI) was quantified. HOI was detected by reacting it with methionine, which is converted to dehydro-methionine, which in turn is detected by reacting it with excess iodide at acidic pH. The reaction converts I&#8722; to I3 &#8722; that has absorbance at 353 nm. In brief, 0.6 &#956;L compound serially diluted in DMSO was added to 25 &#956;L 50 nM baculovirus-expressed recombinant human TPO (obtained from RSR Ltd, Cardiff, UK) in assay buffer (100 mM Na2HPO4/NaH2PO4, pH 7.4), after which absorbance at 353 nm was read to obtain a blank value. The enzyme reaction was initiated by the addition of 25 &#956;L of a mix consisting of 2 mM methionine, 20 &#956;M NaI and 100 &#956;M H2O2 in assay buffer, and stopped by the addition of 10 &#956;L catalase, 0.25 mg/mL. After an additional 5 min, 25 &#956;L 600 mM sulphuric acid followed by 25 &#956;L 100 mM KI were added, and absorbance at 353 nm was read 5 min after this addition. IC50 values of the compounds tested were obtained using standard procedures.
9885	1	JAK1 Inhibition Assay	Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) was purchased from Carna Biosciences. 10 ng of JAK1 was incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (15 mM Tris-HCl pH 7.5, 1 mM DTT, 0.01% Tween-20, 10 mM MgCl2, 2 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 45 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100. Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the JAK1 assay and the calculation of the IC50 for each compound. Each compound was routinely tested at concentration of 20 &#956;M followed by a &#8531; serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 &#956;M, 1 &#956;M).
9885	2	JAK2 Inhibition Assay	Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) was purchased from Invitrogen. 0.025 mU of JAK2 was incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (5 mM MOPS pH 7.5, 9 mM MgAc, 0.3 mM EDTA, 0.06% Brij and 0.6 mM DTT, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prcwashcd (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the JAK2 assay and the calculation of the IC50 for each compound. Each compound was routinely tested at concentration of 20 &#956;M followed by a &#8531; serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 &#956;M, 1 &#956;M).
9885	3	JAK3 Inhibition Assay	Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated with 2.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerolphosphate, 0.01% Triton X-100, 1 &#956;M non-radioactive ATP, 0.25 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 min at 30° C., reactions were stopped by adding of 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the JAK3 assay and the calculation of the IC50 for each compound. Each compound was routinely tested at concentration of 20 &#956;M followed by a &#8531; serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 &#956;M, 1 &#956;M).
9885	4	TYK2 Inhibition Assay	Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubated with 12.5 &#956;g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Hepes pH 7.5, 100 mM NaCl, 0.2 mM Na3VO4, 0.1% NP-40, 0.1 &#956;M non-radioactive ATP, 0.125 &#956;Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 &#956;L containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 &#956;L, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions were stopped by adding 25 &#956;L/well of 150 mM phosphoric acid. All of the terminated kinase reaction was transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates were washed 6 times with 300 &#956;L per well of a 75 mM phosphoric acid solution and the bottom of the plates was sealed. 40 &#956;L/well of Microscint-20 was added, the top of the plates was sealed and readout was performed using the Topcount (Perkin Elmer). Kinase activity was calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 &#956;M staurosporine) from cpm obtained in the presence of vehicle. The ability of a test compound to inhibit this activity was determined as:Percentage inhibition=((cpm determined for sample with test compound present&#8722;cpm determined for sample with positive control inhibitor) divided by (cpm determined in the presence of vehicle&#8722;cpm determined for sample with positive control inhibitor))*100.Dose dilution series were prepared for the compounds enabling the testing of dose-response effects in the TYK2 assay and the calculation of the IC50 for each compound. Each compound was routinely tested at concentration of 20 &#956;M followed by a &#8531; serial dilution, 8 points (20 &#956;M-6.67 &#956;M-2.22 &#956;M-740 nM-247 nM-82 nM-27 nM-9 nM) in a final concentration of 1% DMSO. When potency of compound series increased, more dilutions were prepared and/or the top concentration was lowered (e.g. 5 &#956;M, 1 &#956;M).
9886	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nmAfter a pre-incubation of the HtrA1 protease for 30 min with compounds, substrate is added to the wells and initial RFU is measured. Upon incubation for 2 hours at RT, the enzymatic activity cleaved the substrate releasing fluorescent Mca-peptide conjugate and the final RFU value is measured. The presence of inhibitors leads to a decreased final RFU.
9887	1	Biochemical Assay	The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing two appropriately spaced phosphotyrosine. Full length SHP2 protein (Recombinant HumanSHP-2, E. coli derived Ser2Arg593, N-terminal 6His tag from R&D systems; 0.0.24 nM) was incubated with activating peptide, IRSI_2pY (New England Peptide, 140 nM) and DiFMUP (molecular probes, 80 uM) at RT in buffer (HEPES pH 7.2 60 mM, DDT 5 mM, KCl 75 mM, NaCl 75 mM, EDTA 1 mM, Tween 20 0.05%) in presence of compound (10 concentrations range, top concentration 50 &#956;M) for 60 min. The generation of the DiFMU product by activated SHP2 was monitored through Fluorescence measurement with a PerkinElmer Envision reader. The inhibitor dose response curves were analyzed with Genedata Screener.
9888	1	Enzyme Activity Assay	The inhibition of the sample on VAP-enzyme activity was measured by using an Amplex Red Monoamine Oxidase kit (Invitrogen #A12214). 100 nL of the gradiently-diluted to-be-tested compound (solvent DMSO) was added to a 384-well plate. 25 &#956;L of 10 nM VAP-1 enzyme solution was added and incubated for 30 minutes at room temperature. A substrate mixture of VAP-1 enzyme (200 &#956;M Amplex Red, 1 U/mL HRP, 1 mM Benzylamine) was added and incubated for 60 minutes at room temperature. After the incubation, the fluorescent signal was read with a microplate reader Envision (excitation light wavelength 530-560 nm, emission light wavelength 590 nm). 
9889	1	In Vitro Enzyme Inhibition Assay	JMJD2C: The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT.
9889	2	In Vitro Enzyme Inhibition Assay	JMJD3: The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 5 nM JMJD3, 250 nM H3K27me3-biotin labeled peptide (Anaspec cat #64367), 0.4 to 2 &#956;M o-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K27me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 750 nM H3K27me3-biotin labeled peptide and 1.2 to 6 &#956;M alpha-ketoglutaric acid with 2 &#956;L of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 15 nM JMJD3 to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;L of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K27me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. 
9889	3	In Vitro Enzyme Inhibition Assay	Jarid1b: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K4me or -H3K4me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me/H3K4me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. 
9890	1	Determination of the Effect of the Compounds of the Present Invention Against FGFR Kinase Activity	The following method was used to determine the inhibition degree of the kinase activity of recombinant human FGFR protein by the compounds of the present invention under in vitro conditions. Cisbio Company&#39;s HTRF KinEASE-TK tyrosine kinase kit(Cat. No: 62TKOPEB) was used in the present method, the kit was used to reflect the inhibitory effect of the compounds on FGFR kinase activity by determination of the phosphorylation degree of FGFR protein-mediated biotinylated polypeptide substrates based on the principle of time-resolved fluorescence energy resonance transfer (TF-FRET). For detailed experimental procedures, refer to the kit instructions. Recombinant human FGFR protein was purchased from Carna bioscience (Japan, Cat. No: FGFR1 #08-133, FGFR2 #08-134, FGFR3 #08-135, and FGFR4 #08-136).The experimental procedure is briefly described as follows: the test compound was first dissolved in DMSO to prepare a stock solution, and then gradiently diluted with the buffer provided in the kit, and the final concentration of the test compound in the reaction system ranges from 10 &#956;M to 0.1 nM. The concentration of ATP solution (Sangon Biotech (Shanghai) Co., Ltd., A600311) used in the test is the ATP Km concentration corresponding to each FGFR subtype measured in advance, and the ATP Km concentration corresponding to FGFR1 4 is 100 &#956;M, 40 &#956;M, 40 &#956;M and 120 &#956;M respectively. The reaction was carried out in a 384-well microplate, the compound and a certain amount of FGFR protein was firstly added to the well, and incubated at room temperature for 5-30 minutes, then the ATP solution and the biotinylated polypeptide substrate solution were added to the reaction solution, and incubated for 50 minutes with shaking at room temperature. Subsequently, an anti-phosphotyrosine antibody coupled with a europium compound and streptavidin coupled with the modified allophycocyanin XL665 were added to the reaction, and incubation was continued for 1 hour at room temperature with shaking. After the incubation ended, the fluorescence intensity values of the respective wells at an excitation wavelength of 304 nm and emission wavelengths of 620 nM and 665 nM were measured in a TF-FRET mode on a microplate reader. The percentage inhibition of the compound at each concentration was calculated by comparison with the fluorescence intensity ratio of the control group (0.1% DMSO), and the nonlinear regression analysis was performed on the logarithm values of the concentrations of the compounds inhibition rate by GraphPad Prism 5 software to obtain the IC50 value of compounds.
9891	1	ERK2 In vitro Inhibition Assay	Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated version of Activating transcription factor 2 labelled with green fluorescent protein (ATF2-GFP) (Life Technologies). Assay reactions containing 50 mM Tris pH 7.5, 10 mM MgC2, 1 mM EGTA, 0.01% Triton X-100, 1 mM DTT, 2.5% DMSO, 0.4 &#956;M ATF2-GFP, 20 &#956;M ATP and 0.25 nM ERK2 were set up in the presence of compound and allowed to proceed for 30 min at room temperature. Reactions were then stopped using TR-FRET dilution buffer (Life Technologies), 25 mM EDTA and 2 nM Tb-Anti-pATF2 (Thr71) (Life Technologies). After a further incubation period of at least 30 minutes, fluorescence was read on a Pherastar reader (Lanthascreen optic module; excitation 340 nm, emission 520 nm (channel A), 495 nm (channel B)). The ratio between A and B counts was used to calculate signal. IC50 values were calculated using a sigmoidal dose response equation (Prism GraphPad software, La Jolla, Calif., USA).In the assays using ERK2, the compounds of Examples 125, 127, 162, 181, 183, 289, 299, 310 and 939 have IC50 values in the range from 1 &#956;M to 10 &#956;M, provide at least 50% inhibition of the activity at a concentration of 10 &#956;M in the assay against ERK2 or would be expected to provide at least 50% inhibition of the activity at a concentration of 10 &#956;M (based on the level of inhibition of the activity at concentrations of 3 &#956;M) in the assay against ERK2.
9892	1	Inhibitory Activity Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
9892	2	Inhibitory Activity Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
9893	1	Binding Assay	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. #NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H]-cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. #RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. #T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
9894	1	Activity Assay	Activity Against Mer Tyrosine Kinase.
9894	2	Activity Assay	Activity Against Tyro3 Tyrosine Kinase.
13248	1	A2a binding affinity assay A	Method (A): Measurement of A2a Binding Affinity Using Radioligand Binding148 μL (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 μL compounds of the invention to be tested (test compound) were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 min at room temperature. [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) was diluted in assay buffer (50 mM Tris pH 7.4, 10 mM MgCl2, 0.005% Tween20) to a concentration of 4 nM and 50 μL transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 1 μM ZM241385 (Tocris Bioscience, Cat. No. 1036) respectively, were also included. The assay plate was incubated at room temperature for 60 min with agitation. Using a FilterMate Harvester® (Perkin Elmer), the contents of the assay plate were filtered through a UniFilter-96® PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 sec, then washing and aspirating the contents three times with ice-cooled wash buffer (50 mM Tris-HCl pH 7.4, 150 mM NaCl) and allowing the vacuum manifold to dry the plate for sec. The filter plate was incubated for at least 1 h at 55° C. and allowed to dry. The bottom of the filter plate was sealed with backing tape. 40 μL Ultima Gold™ (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS® clear plate seal (Perkin Elmer, Cat. No. 6050185). The plate was incubated for at least 20 min, and then the amount of radioactivity remaining in each well was determined using a TopCount® (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
13248	2	A2b Binding Affinity Assay	The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtration binding assay. This assay measures the amount of binding of a tritiated proprietary A2b receptor antagonist, in the presence and absence of a compound of the invention, to membranes made from HEK293 cells recombinantly expressing the human A2b adenosine receptor (Perkin Elmer, Cat. No. ES-013-C).To perform the assay, compounds of the invention to be tested were first solubilized in 100% DMSO and further diluted in 100% DMSO to generate, typically, a 10-point titration at half-log intervals such that the final assay concentrations did not exceed 10 μM of compound or 1% DMSO. 148 μL (135 μg/mL) membranes and 2 μL test compounds were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 min at room temperature with agitation. Tritiated radioligand was diluted to a concentration of 14 nM in assay buffer (phosphate buffered saline without Magnesium and Calcium, pH 7.4; GE Healthcare Life Sciences, Cat. No. SH30256.01) and then 50 μL of the solution were transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 20 μM N-ethylcarboxamidoadenosine (Tocris Bioscience, Cat. No. 1691) respectively, were also included. The wells of the assay plate were incubated at room temperature for 60 min with agitation, then filtered using a FilterMate Harvester® (Perkin Elmer) or similar equipment through a UniFilter-96® PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 sec, then washing and aspirating the contents three times with ice-cooled wash buffer (assay buffer supplemented with 0.0025% Brij58) and allowing the vacuum manifold to dry the plate for 30 sec. The filter plate was incubated for at least 1 h at 55° C. and allowed to dry. The bottom of the filter plate was then sealed with backing tape. 40 μL Ultima Gold™ (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS® clear plate seal (Perkin Elmer, Cat. No. 6050185). The plates were then incubated for at least 20 min, and then the amount of radioactivity remaining in each well was determined using a TopCount® (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
13248	3	A2a binding affinity assay B	Method (B): Measurement of A2a Binding Affinity Using SPABinding affinity using SPA was conducted as follows. Test compounds (50 nL) were dispensed into individual wells of a 384-well OptiPlate™ well (Perkin Elmer) by Echo® acoustic liquid transfer (Labcyte). 20 μL of 1.25 nM [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) in DPBS assay buffer (Dulbecco&#39;s phosphate buffered saline without calcium and magnesium, ThermoFisher Scientific, Cat. No. A1285601) supplemented with 10 mM MgCl2 was added. A2a receptor-expressing membranes were incubated with 20 μg/mL adenosine deaminase (Roche, Cat. No. 10 102 105 001) for 15 min at room temperature. The receptor-expressing membranes were then combined with wheat germ agglutinin-coated yttrium silicate SPA beads (GE Healthcare, Cat. No. RPNQ0023) in a ratio of 1:1000 (w/w) and incubated for 30 min at room temperature. 30 μL of the membrane/bead mixture (0.25 μg and 25 μg per well respectively) were added to the 384-well OptiPlate™ well. To define total and non-specific binding, wells containing 1% DMSO or 1 μM CGS15943 (Tocris Bioscience, Cat. No. 1699) respectively were also included in the experiment. The plate was incubated for one h at room temperature with agitation. The assay plate was then incubated for an h to allow the beads to settle before data were collected using a TopCount® (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
9896	1	TBD	TBD
9896	2	TBD	TBD
9896	3	TBD	TBD
9896	4	TBD	TBD
9896	5	TBD	TBD
9896	6	TBD	TBD
9897	1	Biochemical Assay	IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of &#945;KG to 2HG. 2HG is analyzed using in-line solid phase extraction and mass spectrometry. This analysis is carried out in a RapidFire instrument coupled to a 6460 triple quadrupole mass spectrometer (G6460A Agilent).IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E.coli and purified using nickel affinity chromatography. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For IDH1 R132H, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 300 &#956;M, 2.5 &#956;M and 300 &#956;M respectively. For IDH1 R132C, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 100 &#956;M, 10 &#956;M and 100 &#956;M respectively. For IDH2 R172K, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 150 &#956;M, 10 &#956;M and 150 &#956;M respectively. For IDH2 R140Q, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 3000 &#956;M, 10 &#956;M and 100 &#956;M respectively. Final pH=7.0. Test compound dissolved in DMSO stock is diluted in the reaction mix at a final DMSO concentration of 4%. Compounds are tested in dose-response format. The assay is started by addition of enzyme. Enzymes are used at the following final concentrations: IDH1 R132H, 2 nM; IDH1 R132C, 0.5 nM; IDH2 R172K, 1.2 nM; IDH2 R140Q, 1.2 nM. After 90 minutes the reaction is quenched by adding ACN (50:50) containing 3-hydroxy-1,5-pentanedioic-2,2,3,4,4-d5 acid (5d5-3HG) as an internal standard for mass spectrometry analysis and quantitation of reaction product. 2-Hydroxyglutarate (2HG) in quenched samples is separated using strong anionic exchange column chromatography (Phenomenex Strata-X-A SecurityGuard) and analyzed by mass spectrometry in a 6460 triple quadrupole mass spectrometer (G6460A Agilent). The 2HG signal detected is transformed into an analyte concentration using a calibration curve generated using known 2HG concentrations. For each compound tested, the % inhibition is calculated using a DMSO control sample as 0% inhibition and a no enzyme control as 100% inhibition.
9898	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
9899	1	In Vitro Assay	An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release by treatment with compound 9 (IC50=586±91 nM). Briefly, human neutrophils were suspended in HBSS&#8722; (without Ca2+ and Mg2+) containing 10 mM HEPES and FLIPR Calcium 3 dye (3.1×107 cells in total volume 1.7 mL). Cells were aliquoted (200 &#956;L of the cell suspension per tube, 8 tubes total) and 2 &#956;L of compound 9 (with appropriate dilutions) were added to each of 6 tubes. The tested concentrations of compound 9 were 156 nM, 312 nM, 625 nM, 1250 nM, 2500 nM and 5000 nM. As controls, 2 &#956;L of DMSO (1% final concentration) were added to 2 other tubes. Cells were incubated for 30 min at 37° C. After dye loading, tubes were centrifuged at 6,000 rpm for 1 min, supernatant was removed and the cell pellet was re-suspended in 200 &#956;L of HBSS+ (with Ca2+ and Mg2+) containing 10 mM HEPES. 
9900	1	Pharmacological Activity Assay	Procedures employed by the PDSP as described in the NIMH-PDSP Assay Protocol Book, Version II. The standard drug used in both Sigma subtype assays is haloperidol.
9901	1	cAMP Assay	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 1.7 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm.
9902	1	HTRF KinEASE Assay	The ability (IC50) of compounds to inhibit ASK1 kinase activity was determined by HTRF KinEASE Assay System. ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue ##6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. 
9903	1	Enzymatic Assay	Enzymatic inhibition of PARP14 was measured using a dissociation-enhanced lanthanide fluorescence immunoassay (DELFIA) monitoring the auto-modification of PARP14 by biotinylated nicotinamide adenine dinucleotide (biotin-NAD). 1 &#956;L of a dose response curve of each test compound was spotted in 384-well nickel-coated white microplates (Thermo) using a Mosquito (TTP Labtech). Reactions were performed in a 50 &#956;L volume by adding 40 &#956;L of PARP14 in assay buffer (20 mM HEPES pH==8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002%0 Tween20), incubating with test compound at 25° C. for 30 min, then adding 10 &#956;L of biotin-NAD (Biolog). The final concentrations of PARP14 and biotin-NAD are 50 nM and 3 &#956;M, respectively. Reactions proceeded at 25° C. for 3 h, then were quenched with 5 &#956;L of 10 mM unmodified nicotinamide adenine dinucleotide (Sigma-Aldrich). The quenched reactions were washed 3 times with 100 &#956;L of TBST wash buffer (50 mM Tris-HCl, 150 mM NaCl and 0.1% Tween20). Next, to the washed and dried plate was added 25 &#956;L of DELFIA Europium-N1 streptavidin (Perkin Elmer) diluted in DELFIA assay buffer (Perkin Elmer) After a 30 min incubation at 25° C., the plate was washed 5 times with TBST wash buffer. Finally, 25 &#956;L of DELFIA enhancement solution was added. After a 5 min incubation the plate was read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 340 nm and emission of 615 nm to measure the amount of Europium present in each well, informing on the amount of biotin-NAD that was transferred in the automodification reaction.
9904	1	In Vitro Ligand Binding Assay	50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB wells, 1 uM 25-hydroxycholesterol was also present. Assay plates were 96-well polypropylene V-bottom plates. 10 uL of 5× compound in 25% DMSO/75% Assay Buffer was added to Test wells. 10 uL of 25% DMSO/75% Assay Buffer was added to Total Binding or No Receptor wells. 10 uL of 5 uM 25-hydroxycholesterol in 25% DMSO/75% Assay Buffer was added to NSB wells. 20 uL of 15 nM 25-[3H]hydroxycholesterol prepared in Assay Buffer was added to all wells. 20 uL of 1.5 ug/mL RORc receptor was added to wells (or 40 uL Assay Buffer to No R wells). Following addition to the wells, the plates were incubated 3 h at 25° C. Filtration
9905	1	In Vitro Assay	The potency of inhibition is measured by binding affinity.
9906	1	Receptor Competition Binding Assay	Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL glycerol (Fischer #56-81-5) and 40 mL DMSO (reagent grade). The final wells contain 20 &#956;g/mL aprotinin and 20 &#956;g/mL leupeptin and 10 &#956;M Pefabloc. Typically, receptor binding assays include radio-labeled ligands, such as 7 nM [3H]-25-hydroxycholesterol for alpha binding, 20 nM [3H]-3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for beta binding, and 6 nM [3H]-25-hydroxycholesterol for gamma binding, and 0.5 &#956;g ROR&#945; receptor, 0.03 &#956;g ROR&#946; receptor, or 0.13 &#956;g ROR&#947; receptor per well. Assays are typically run in 96-well format. Competing test compounds are added at various concentrations ranging from about 0.4 nM to 25 &#956;M. Non-specific binding is determined in the presence of 250 nM 25-hydroxycholesterol for ROR&#945; and ROR&#947; binding, 250 nM 3-[[4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]-N,2-dimethyl-anilino]methyl]benzoic acid for ROR&#946; binding. The sample, label and receptor solutions are combined in a 96 well assay plate (Costar 3632) and incubated overnight at room temperature, then 25 &#956;l beads (Amersham YSi (2-5 micron) copper His-tag Spa Beads, #RPNQ0096) for a final bead concentration of 1 mg/well is added to each reaction. Plates are mixed for 30 minutes on an orbital shaker at room temperature. After an incubation of 4 hours, plates are read in a Wallac MICROBETA counter.
9907	1	HTRF FRET Assay	BACE1: A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay monitors the increase of 620 nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). This substrate contains an N-terminal QSY7 moiety that serves as a quencher of the C-terminal Europium fluorophore (620 nm Em). In the absence of enzyme activity, 620 nm fluorescence is low in the assay and increased linearly over 3 hours in the presence of uninhibited BACE1 enzyme. Inhibition of BACE1 cleavage of the QSY7-APPswe-Eu substrate by inhibitors is manifested as a suppression of 620 nm fluorescence.
9907	2	Time-Resolved Endpoint Proteolysis Assay	BACE2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVNLDAEFC-Eu-amide FRET peptide substrate (BACE-HTRF assay). BACE-mediated hydrolysis of this peptide results in an increase in relative fluorescence (RFU) at 620 nm after excitation with 320 nm light. Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0.1% Brij-35) supplemented with 7.5% DMSO are preincubated with an equal volume of autoBACE-2 enzyme diluted in 1×BACE assay buffer (final enzyme concentration 1 nM) in black 384-well NUNC plates for 30 minutes at 30° C. The assay is initiated by addition of an equal volume of the QSY7-EISEVNLDAEFC-Eu-amide substrate (200 nM final concentration. Km=8 &#956;M for 4 &#956;M for autoBACE-2) prepared in 1×BACE assay buffer supplemented with 7.5% DMSO and incubated for 90 minutes at 30° C. DMSO is present at 5% final concentration in the assay. Following laser excitation of sample wells at 320 nm, the fluorescence signal at 620 nm is collected for 400 ms following a 50 &#956;s delay on a RUBYstar HTRF plate reader (BMG Labtechnologies). Raw RFU data is normalized to maximum (1.0 nM BACE/DMSO) and minimum (no enzyme/DMSO) RFU values.
9908	1	LSD1 TR-FRET Assay	LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions were performed for 50 minutes at room temperature in a 10-&#956;L volume. Five microliters of 8 &#956;M biotinylated H3K4me1 peptide solution was added to each well of a black 384 well, clear-bottom assay plate containing 80 nL compound (final concentration of 0.8% DMSO and 4 &#956;M substrate). Reactions were initiated by the addition of a mixture containing 20 nM LSD1 and 80 nM FAD (5 &#956;L). LSD1 and FAD final concentrations were 10 and 40 nM, respectively. Enzyme activity was stopped by the addition of 90 &#956;L of high salt buffer consisting of 50 mM HEPES pH 7.4, 500 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. Ten microliters of the quenched reaction mixtures were transferred to a black 384 well ProxiPlate. Ten microliters of detection mixture was added to the ProxiPlate, Europium-labeled antibody and Streptavidin APC were used at final concentrations of 0.3 nM and 200 nM, respectively (total assay volume of 20 &#956;L). Capture of the product peptide by the anti-H3K4me0 antibody and Streptavidin APC was allowed to proceed for 60 min at room temperature before measuring the TR-FRET signal. Plates were read on a Perkin Elmer EnVision. Percent inhibition was calculated using Max (no inhibitor) and Min (quenched with stop buffer) controls and inhibition curves plotted to determine IC50 values.
9909	1	TR-FRET Assay	The TR-FRET method was used to measure the PRC2 enzyme activity. First, the enzyme was mixed with compounds at different concentrations and incubated for 30 min at room temperature. The biotin-labeled histone H3 peptide substrate and the cofactor S-adenosylmethionine (SAM) were added to initiate the enzymatic reaction. After reaction was performed at room temperature for 4 hour, Acceptor and Donor were added and incubated for half an hour. The multifunctional microplate reader EnVision (Perkin Elmer Inc.) was used to detect the fluorescence signal. 
9910	1	Binding Activity Assay	The binding affinity of the present compounds to human 5-HT1A receptor, human D4 receptor, and human D2 receptor was measured in a manner mentioned below.CHO cell membrane fraction in which human 5-HT1A receptor, human D4 receptor, and human D2 receptor were expressed was purchased from PerkinElmer Co., Ltd. In the evaluation test of binding, the test compound dissolved in DMSO, each receptor membrane preparation diluted with buffer solution, and [3H] 8-OH-DPAT (for 5-HT1A receptor), [3H] dopamine (for D4 receptor), or [3H] spiperone (for D2 receptor) (all were obtained from PerkinElmer Co., Ltd.) were mixed, and each mixture was incubated at room temperature for 30 or 60 minutes. The nonspecific binding to each receptor was evaluated by a competition binding experiment in the presence of 10 &#956;mol/L 8-OH-DPAT, 10 &#956;mol/L dopamine, or 10 &#956;mol/L spiperone, respectively. The radioactivity of each receptor-binding sample was measured with a liquid scintillation counter (PerkinElmer Co., Ltd.), the 50% inhibitory concentration was calculated, and Ki value was evaluated based on the dissociation constant and the substrate concentration caluculated in the saturated bond test, which was used as binding affinity. 
9911	1	Receptor Binding Assay	D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determined from saturation binding studies where the Kd for [3H]-SCH23390 was found to be 1.3 nM. From tissue concentration curve studies, the optimal amount of tissue was determined to be 1.75 mg/mL per 96 well plate using 0.5 nM of [3H]-SCH23390. These ligand and tissue concentrations were used in time course studies to determine linearity and equilibrium conditions for binding. Binding was at equilibrium with the specified amount of tissue in 30 minutes at 37° C. From these parameters, Ki values were determined by homogenizing the specified amount of tissue for each species in 50 mM Tris (pH 7.4 at 4° C.) containing 2.0 mM MgCl2 using a Polytron and spun in a centrifuge at 40,000×g for 10 minutes. The pellet was resuspended in assay buffer [50 mM Tris (pH 7.4@ RT) containing 4 mM MgSO4 and 0.5 mM EDTA]. Incubations were initiated by the addition of 200 &#956;L of tissue to 96-well plates containing test drugs (2.5 &#956;L) and 0.5 nM [3H]-SCH23390 (50 &#956;L) in a final volume of 250 &#956;L. Non-specific binding was determined by radioligand binding in the presence of a saturating concentration of (+)-Butaclamol (10 &#956;M), a D1 antagonist. After a 30 minute incubation period at 37° C., assay samples were rapidly filtered through Unifilter-96 GF/B PEI-coated filter plates and rinsed with 50 mM Tris buffer (pH 7.4 at 4° C.). 
9912	1	Biochemical Assay	The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1 full length catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-18 (5-FAM-QSPKKG-CONH2, CPC Scientific, Sunnyvale, Calif.) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Matl enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 150 &#956;M ATP (ATP Km=67.4 &#956;M), 0.005% Tween-20, 3 &#956;M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA. 
9912	2	Biochemical Assay	The purpose of GSK3&#946; assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. GSK3&#946; catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-15 (5-FAM-KRREILSRRPpSYR-COOH, CPC Scientific, Sunnyvale, Calif.) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Active GSK3&#946; (H350L) was purchased from Upstate/Millipore. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 40 &#956;M ATP (ATP Km=9.43 &#956;M), 0.005% Tween-20, 2 &#956;M FL-Peptide-15, and 0.6 nM GSK3&#946; in 25 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP, following 15 minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 30 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable.
9912	3	Biochemical Assay	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:3). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.
9912	4	Biochemical Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:3). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 4 nM (active sites) activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.
9913	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). A Excitation 540 nm; A Emission 590 nm.
9914	1	Enzymatic Assay	Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 &#956;L volume by adding 6 &#956;L of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 &#956;L of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 &#956;s delay. 
9915	1	Factor XIIa assay	Factor XIIa activity determinations were made in 50 mM HEPES buffer containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific) at pH 7.4. Determinations were made using purified human Factor XIIa at a final concentration of 500 &#956;M (Sekisui Diagnostics) and the synthetic substrate, n-Acetyl-Lys-Pro-Arg-AFC, TFA salt (Sigma # C6608) at a concentration of 100 &#956;M.
9916	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#152;1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
9916	2	Enzymatic Assay 2	Enzymatic Assay after dilution in assay buffer, added to the plate and pre-incubated for 5 to 10 minutes.
9917	1	Biochemical Enzymatic Assay	Compounds are screened for MNK inhibition using the ADP-Glo kinase assay kit (Promega, catalogue No. V9101). All kinase reactions are performed in Reaction Buffer E (15 mM HEPES pH7.4, 20 mM NaCl, 1 mM EGTA, 10 mM MgCl2, 0.1 mg/ml BGG, and 0.02% Tween-20). Final MNK 1 reactions contained 10 nM recombinant MNK1 (Life Technologies, PR9138A), 100 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 300 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final MNK2 reactions contained 3 nM recombinant MNK2 (Life Technologies, PV5607), 50 &#956;M MNK substrate peptide Ac-TATKSGSTTKNR-NH2 (American Peptide Company), 10 &#956;M ATP, and varying concentrations of the inhibitory compound of interest. Final DMSO concentration in each reaction is 1%.
9918	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech).
9919	1	Inhibitory Activity Assay	To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
9920	1	Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys, final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;l
9921	1	In Vitro CBP Inhibition	The CBP-inhibitory activity of the compounds described herein was determined by calculating the IC50. More specifically, CBP inhibitor activity was assayed as follows: CBP was cloned and expressed in E. coli as His-tag protein and purified by Nickel affinity and gel-filtration chromatography. The protein was further characterized as a single band with the correct molecular weight by SDS-PAGE. CBP binding and inhibition is assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Perkin Elmer). In a 384-well ProxiPlate CBP (50 nM final) was combined with peptide (20 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 min incubation at room temp, Alpha-streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After 2 hr of equilibration, plates were read on an Envision instrument and the IC50 calculated using a four parameter non-linear curve fit.
9921	2	In Vitro Enzyme Inhibition Assay-BRD4 Inhibition	Determination of the IC50 for the heterocyclic derivative BRD4 inhibitors disclosed herein was performed as follows. His-tagged BRD4 was cloned, expressed and purified to homogeneity (P. Filipakopoulos et al. Nature 468, 1067-1073, 2010). BRD4 binding and inhibition was assessed by monitoring the interaction of biotinylated H4-tetraacetyl peptide (AnaSpec, H4K5/8/12/16(Ac), biotin-labeled) with the target using the AlphaScreen technology (Life Technologies). In a 384-well ProxiPlate BRD4(BD1) (2 nM final) was combined with peptide (15 nM final) in 50 mM HEPES (pH 7.3), 10 mM NaCl, 0.25 mM TCEP, 0.1% (w/v) BSA, and 0.005% (w/v) Brij-35 either in the presence of DMSO (final 0.4% DMSO) or compound dilution series in DMSO. After 20 minute incubation at room temperature, Alpha streptavidin donor beads and Nickel Chelate acceptor beads were added to a final concentration of 5 &#956;g/mL. After two hours of equilibration, plates were read on an Envision instrument and the IC50 was calculated using a four parameter non-linear curve fit.
9922	1	EFS-FRET Assay	This screen is used to determine the effects of compounds on human Nav1.7 channels, utilizing electrical field stimulation (EFS) system in 96-well plate format on FDSS (Hamamatsu Photonics) platform. The changes of membrane potential are monitored with FRET dye pair, DiSBAC2(3) and PTS 18.
9923	1	[35S]GTPgammaS Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.). All the results presented are means of several independent experiments and analyzed by non-linear regression methods using the commercially available program Prism (GraphPad, San Diego, Calif.) providing the EC50 values.
9924	1	xanthine oxidase activity assay	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
9924	2	URAT1 activity assay	URAT1 (SLC22A12) activity was evaluated in a cellular uptake assay using a 96-well plate with stably transfected URAT-1/CHO cells. 3H-orotate was used as the test transport agent, which was measured in a liquid scintillation counter, using benzbromarone as a positive control, and DMSO and non-transfected CHO cells as negative controls (Solvo Biotechnology, Boston, Mass.). Generally determined over 7 concentrations (range, 0.01 to 150 &#956;M), a semi-log plot (percent relative transport of oratate vs. time) was generated to determine the concentration at which 50% inhibition was observed (i.e., the IC50).
9925	1	Mobility Shift Assay (MSA) Type A	Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was measured in buffer solution containing 100 mM HEPES pH7.5, 0.01% Triton X-100, 0.1% BSA, 5 mM MgCl2, 1 mM DTT. The enzyme and increasing concentrations of inhibitor was incubated at room temperature for 30 minutes and the kinase reaction was initiated by the addition an activation mixture diluted in assay buffer containing Srctide peptide substrate, DOPS/DOPC, PtdIns(3,4,5)P3, and ATP for final concentrations of 1 &#956;M Srctide, 5.5 &#956;M DOPS, 5.5 &#956;M DOPC, 0.5 &#956;M PtdIns(3,4,5)P3, and 16 &#956;M ATP. The plates were incubated for 60 minutes at room temperature, and then the reaction stopped with 100 mM HEPES buffer containing 0.01% Triton and 40 mM EDTA and read on Caliper Life Sciences Labchip EZ Reader II instrument.
9925	2	Mobility Shift Assay (MSA) Type B	The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK assay. The enzyme inhibitor complexes was incubated for 30 minutes at the room temperature and the kinase activation reaction was initiated by the addition of 1 &#956;M Srctide peptide substrate and 16M ATP. After incubation at room temperature for 60 minutes, the reaction was stopped and the mobility shift was measured as described above for the inactive BTK assay. The data of inactive and active BTK assays was fit to a 4 parameter logistic model to calculate the IC50 value.
9925	3	Radiometric Assay	Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., Nat. Biotechnol. 29(11):1039-45 (2011)). Compounds were tested in 10-point dose IC50 mode with 3-fold serial dilution starting at 1 or 10 &#956;M concentration. BTK kinase activity was assayed in a buffer solution containing 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Compounds in 100% DMSO were mixed with kinase (8 nM wild-type BTK or 5 nM BTK-C481S mutant) with substrate into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range) and incubated for 20 min at room temp. The reaction was initiated by adding 10 &#956;M ATP containing 33P-ATP into the mixture and incubated for 2 hours at room temperature. Kinase activity was detected by P81 filter-binding 33P radioisotope based radiometric method. All compounds were tested in duplicate. The raw data was fit to a 4-parameter logistic model to derive the IC50 value for kinase activity inhibition.
9925	4	Alpha Screen Assay	Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexakisphosphate (IP6) and ATP as described (Q. Wang, E. M. Vogan, L. M. Nocka, C. E. Rosen, J. A. Zorn, S. C. Harrison J. Kuriyan, eLife 2015; 4:e06074), with minor modification. To 190 &#956;l of 1 mM IP6 in activation buffer (25 mM Tris, pH 7.5, 150 mM NaCl, 5% glycerol) was added 10 &#956;l of inactive BTK at 5-6 mg/ml and incubated for 10 min at room temperature followed by addition of 200 &#956;l of 2 mM ATP in assay buffer (50 mM Tris, pH 8, 10 mM MgCl2, 1 mM EDTA, 0.1 mM NaF, 0.02 mg/ml BSA, 10% glycerol, 2 mM sodium orthovanadate, 0.25 mM DTT) for a further 10 min. The activated BTK was frozen in 50 &#956;l aliquots (125-150 &#956;g/ml).BTK activity was assayed using a PLC&#947;2-derived biotinylated peptide substrate (biotin-EELNNQLFLYDTHQNLR-OH) and AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology. The extent of peptide phosphorylation was determined by using acceptor beads conjugated to phosphotyrosine antibody that recognized the phosphorylated peptide and donor beads conjugated to streptavidin that binds to the biotin on the peptide. Excitation of the donor beads converted ambient oxygen to excited singlet oxygen which when in close proximity to acceptor beads, reacted with acceptor beads resulting in signal amplification.Test inhibitors and controls were prepared in 10% DMSO at 10-fold the desired final concentration and added to each well of a reaction plate (Corning 96-well half-area solid white nonbinding surface plate) in a volume of 2.5 &#956;l. Full-length activated BTK (wildtype or mutant C481S) diluted to 0.179 nM in assay buffer (50 mM Tris, pH 8, 10 mM MgCl2, 1 mM EDTA, 0.1 mM NaF, 0.02 mg/ml BSA, 10% glycerol, 0.2 mM Na3VO4, 0.1 mM beta-glycerophosphate, 0.25 mM DTT) was added to each well in a volume of 17.5 &#956;l and incubated with the inhibitors for 30 min. The kinase reaction was initiated by the addition of 5 &#956;l of biotin-PLC&#947;2 peptide and ATP mixture diluted in assay buffer for a final concentration in the 25 &#956;l reaction of 150 nM and 180 &#956;M respectively and 0.125 nM enzyme. The plate was incubated for 120 min at room temperature and the reaction stopped by the addition of 10 &#956;l stop/detection mixture containing 35 mM EDTA, 50 ug/ml AlphaScreen Streptavidin Donor beads (final concentration is 500 ng/well) and AlphaScreen Phospho-tyrosine (P-Tyr-100) Acceptor beads (final concentration is 500 ng/well) under green light conditions. The plate was incubated overnight at room temperature in the dark and the plates read on the BMG PolarStar Omega (excitation wavelength: 640 nm, emission wavelength: 570 nm, Gain=4000). Data were archived and analyzed with a 4-parameter fit to generate IC50 values using the CDD Vault from Collaborative Drug Discovery.
9926	1	Determination of Xanthine Oxidase Inhibitory Activity of Aryl Benzofuran Amidated Derivatives and Reagents (Amino Derivatives)	11.1 Preparation of Reagents and Standard Solutions(1) 75 mM phosphate buffer (PB, pH 7.4): containing KH2PO4 0.0956 g, K2HPO4 0.6946 g, EDTA 1.862 mg, dilute to 50 mL with pure water, to be used to dilute samples and other reagents;(2) XOD solution: Take 25 U/2.6 mL of XOD, dilute to 0.08 U/mL of XOD working solution with 75 mM PB solution, mix well with a pipette, store on ice for future use;(3) Substrate preparation: accurately weigh the appropriate amount of xanthine (XA) into 5 mL of 0.1 N NaOH solution, dissolve it ultrasonically, and add 95 mL of 75 mM PB solution to prepare a substrate mother liquor with a final concentration of 0.48 mM, perform vortex mixing for 1 min; it is to be freshly prepared before each experiment;(4) Preparation of the test drug: accurately weigh the appropriate amount of the test drug, dissolve it in DMSO to prepare a 10 mM stock solution, and store at &#8722;20° C. in the dark. Use DB to dilute to different concentrations (0-100 mM) before the experiment, and the DMSO content is less than 0.1%.11.2 Steps(1) Add 100 &#956;L of different concentrations of the sample solution to be tested onto a 96-well plate, add 0.08 U/mL XOD 50 &#956;L, and use the same volume of PB as a blank control and allopurinol as a positive control; incubate for 3 min at 37° C. on a microplate reader, and set up 4 replicate wells in parallel for each group.(2) Add the substrate 0.48 mM XA 50 &#956;L to start the reaction, read every 15 s at a wavelength of 295 nm and record the absorbance for a total of 7 min. Data processing: Data is processed by using Excel analysis and half-inhibitory concentration (IC50) is calculated by using GraphPad Prism 6.0.2.(3) Measurement results are shown in Table 1, which indicate that most of the synthesized benzofuran amidated derivatives have significantly xanthine oxidase inhibitory activity.
9926	2	The antioxidant activity of the synthesized benzofuran amidated derivative is evaluated by DPPH free radical scavenging experiment.	12.1 Preparation of Reagents and Standard Solutions(1) Preparation of DPPH solution: accurately weigh the appropriate amount of DPPH, add MeOH and perform ultrasonic dissolution to prepare 10 mM stock solution, and store at &#8722;20° C. Dilute to 0.1 mM with MeOH before the experiment and store in the dark;(2) Preparation of the test drug: accurately weigh the appropriate amount of the test drug, dissolve it in MeOH to prepare a 10 m stock solution, and store at &#8722;20° C. in the dark. Use MeOH to dilute to different concentrations (0-100 mM) before the experiment.12.2 Steps(1) Add 100 &#956;L of different concentrations of the sample solution to be tested onto a 96-well plate, add 100 &#956;L of 0.1 mM DPPH, and use the same volume of MeOH as a blank control and Quercetin as a positive control; After shaking for 1 min at 37° C. on a microplate reader, place it in the dark for 30 min, and set up 3 replicate wells in parallel.(2) The absorbance is recorded with a microplate reader at a wavelength of 517 nm. Data processing: Data is processed by using Excel analysis and half-inhibitory concentration (IC50) is calculated by using GraphPad Prism 6.0.2.(3) As shown in Table 2, most of the aryl benzofuran derivatives have obvious antioxidant effects, and based on their structure it can be inferred that the phenolic hydroxy groups have an important influence on their ability to scavenge free radicals.
9927	1	Assay Targeting LC3B	By constructing a prokaryotic expression system, the LC3B protein was successfully expressed and purified, and a preliminary screening and verification platform was established using fluorescence polarization experiments to determine the activity of purchased and synthesized small compound libraries. The recombinant protein GST-LC3B (final concentration 180 nM) (SEQ ID NO: 1) and N-terminal FITC-labeled peptide (SEQ ID NO: 2, final concentration 18 nM) were placed in the FP buffer (50 mM HEPES pH 7.5, 0.1 mg/ml BSA and 1 mM DTT), to which a compound serially diluted with the FP buffer was added. Then the mixture was incubated at 25° C. in the dark. The fluorescence polarization value (PerkinElmer Envision, emission wavelength 480 nm; absorption wavelength 535 nm) was monitored, and the IC50 value was calculated using the GraphPad Prism 6.0 program.
9928	1	In Vitro Enzyme Inhibition	A 10 mM solution of the test compound was made in DMSO. This solution was serially diluted 1:5 in DMSO to yield 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256 and 0.00512 &#956;M compound test solutions. A control tube containing only DMSO is included. 16 &#956;L of each compound test solution was combined with 384 &#956;L of assay buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% Triton X-100) to yield a 4× test compound buffer stock .Separately, a 40 nM solution of human Plasma Kallikrein (Abcam) and a 93.6 &#956;M solution Pro-Phe-Arg-AMC (Bachem) were made using assay buffer. These solutions are hereby referred to as 4× hPK and 2×PFR-AMC, respectively.60 &#956;L of each 4× test compound buffer stock was combined with 60 &#956;L of 4× hPK to yield 120 &#956;L of 2× test compound buffer stock/2× hPK . 50 &#956;L was removed from this mixture and placed into duplicate wells on a Microfluor 1Black U-bottom microtiter plate (Thermo Scientific). This plate was incubated for 5 minutes at 37° C. To each well, 50 &#956;L of pre-warmed 2×PFR-AMC was added to start the enzymatic reaction. Cleavage of PFR-AMC was monitored in a Biotek Synergy H4 reader set at 37° C. Readings are taken every 43 seconds for 1 hour. The highest mean velocity over 20 reads ( 15 minutes) is used to calculate the IC50. The IC50 is calculated using the Gen5 (Biotek Instruments).
9928	2	In Vitro Cellular Assay	Materials:Plasma kallikrein inhibitor C1NH (Athens Research & Technology, Cat #16-16-031509); Ellagic acid (Sigma, E2250); Substrate Z-FR-2-AMC (GL Biochem, Cat #55352); Nunc 96-Well Polypropylene MicroWell Plates (Nunc, Cat #267342)Methods:All dilutions were prepared in an assay buffer comprising 50 mM Tris-HCl pH 7.2, 150 mM NaCl, and 0.01% Triton X-100.Four fold serial dilutions were prepared from a 107.53 &#956;M plasma kallikrein inhibitor C1NH stock solution, to yield ten solutions with concentrations between 20 &#956;M and 0.76 nM. Similarly, four fold serial dilutions were prepared from 10 mM stock solutions of various test compounds, to yield ten solutions with concentrations between 4 mM and 0.015 &#956;M. The ten solutions of the test compounds, prepared by serial dilution, were further diluted 50-fold in the assay buffer.Human plasma is thawed on ice and centrifuged for 15 min at 4° C. to remove platelets. A 1 mM stock solution of ellagic acid is diluted to 8 &#956;M and mixed with human plasma, after removing platelets, at a ratio of 1:0.8. The mixture of human plasma and ellagic acid was further diluted 32-fold in the assay buffer, to yield the final mixture for use in the inhibition assay.A 22.5 &#956;L volume of the final mixture of human plasma and ellagic acid was added to a 96-well microwell plate and the plate was incubated for 15 min at 37° C.The CINH inhibitor at various concentrations, prepared by serial dilutions as described above, were added to the inhibitor control wells. The volume of CINH inhibitor added to each inhibitor control well was 12.5 &#956;L, to yield final concentrations of 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, 0.076 nM, and 0.019 nM. Each CINH concentration is tested in duplicates.The test compounds at various concentrations, also prepared by serial dilutions as described above, are added to the test wells. The volume of test compound added to each test well was 12.5 &#956;L, to yield final concentrations of 20 &#956;M, 5 &#956;M, 1.25 &#956;M, 312.5 nM, 78.125 nM, 19.531 nM, 4.883 nM, 1.221 nM, 0.305 nM, and 0.076 nM. Each test compound concentration was tested in duplicates.In addition to the inhibitor control and test wells, the 96 well assay plate includes positive control wells which contained the mixture of human plasma and ellagic acid without C1NH inhibitor or test compounds, and background wells which contained neither the mixture of human plasma and ellagic acid nor the test compounds. The total volume of liquid in positive control and background wells was brought up to 35 &#956;L, using the assay buffer.The assay plate containing C1NH inhibitors and test compounds mixed with human plasma and ellagic acid and appropriate controls was incubated at 37° C. for 5 min. A 10 mM stock solution of substrate Z-FR-2-AMC was diluted to 133.2 &#956;M in the assay buffer, and 15 &#956;L of the diluted substrate was added to each well, to yield a final substrate concentration of 40 &#956;M in each well. The reagents were mixed well by shaking the plate gently for 30 sec.The enzyme reaction was quantified by immediate kinetic reading of the assay plate using excitation/emission wavelengths of 330 nm/440 nm respectively. Fluorescence intensity was recorded for 60 min, using a time interval of 43 sec.The inhibition activity of the test compounds were evaluated using the IC50 values, calculated according to the dose-response curve of the test compounds, fitted using the log(inhibitor)-response (variable slope) equation in GraphPadPrism software (GraphPad Software, Inc.).
9929	1	a time-resolved fluorescence resonance energy transfer (TR-FRET) assay	Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were purchased from Millipore. PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2×Km ATP (75-500 &#956;M), 2 &#956;M PIP2, 5% glycerol, 5 mM MgCl2, 50 mM NaCl, 0.05% (v/v) Chaps, 1 mM dithiothreitol, and 1% (v/v) DMSO at the following concentrations for each isoform: PI3K&#945;, PI3K&#946;, and PI3K&#948; between 25 and 50 pM, and PI3K&#947; at 2 nM. The compounds of Table 1 and Compound X, ((S)-2,4-diamino-6-((1-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethyl)amino)pyrimidine-5-carbonitrile) were added to the assay solution and incubated for 30 minutes at 25° C. The reactions were terminated with a final concentration of 10 mM EDTA, 10 nM labeled-PIP3, and 35 nM Europium labeled GRP-1 detector protein before reading TR-FRET on an Envision plate reader (Ex: 340 nm; Em: 615/665 nm; 100 &#956;s delay and 500 &#956;s read window).The results were normalized based on positive (1 pM wortmanin) and negative (DMSO) controls, and the IC50 values for PI3K &#945;, &#946;, &#948;, and &#947; were calculated from the fit of the dose-response curves to a four-parameter equation. These assays generally produced results within 3-fold of the reported mean.
9930	1	Probe Displacement Assay	The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corresponding to amino acids 575-869 of human Tyk2 (sequence shown below) at 2.5 nM, 40 nM ((R) N-(1-(3-(8-methyl-5-(methylamino)-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridin-2-yl)phenyl)ethyl)-2-([3H]methylsulfonyl)benzamide) (preparation described below) and 80 &#956;g/mL Copper His-Tag scintillation proximity assay beads (Perkin Elmer, Catalog #RPNQ0095) in 50 mM HEPES, pH 7.5, containing 100 &#956;g/mL bovine serum albumin and 5% DMSO were incubated for 30 minutes at room temperature. The amount of radiolabeled probe (preparation described below) bound to Tyk2 was then quantified by scintillation counting, and the inhibition by the test compound calculated by comparison to wells either with no inhibitor (0% inhibition) or without Tyk2 (100% inhibition). The IC50 value is defined as the concentration of test compound required to inhibit radiolabeled probe binding by 50%.
9931	1	Effect of Compounds on Activities of HIF Prolyl Hydroxylase-2	Activities of HIF prolyl hydroxylase was determined according to the method as described in Anal Biochem, 2004, 330: 74-80, which was slightly modified. A 96-well plate was pretreated with blocker casein and 1 mM biotin for 30 minutes, and then biotin-linked HIF-1&#945;556-574 (biotinyl-DLDLEMLAPYIPMDDDFQL) was immobilized on the 96-well plate. The 96-well plate was then filled with an appropriate amount of HIF-PHD2-containing buffer (20 mM Tris (pH 7.5), 5 mM KCl, 1.5 mM MgCl2, 20 mM 2-oxoglutarate, 10 mM FeSO4, 2 mM ascorbic acid, 4% EDTA-free protease inhibitor) and was incubated for 1 to 60 minutes at RT. The reaction mixture also contained different concentrations of HIF prolyl hydroxylase inhibitors to be tested. The reaction was stopped by rinsing the 96-well plate three times with washing buffer. In 100 &#956;l binding buffer (50 mM tris(hydroxymethyl)-aminomethane, pH 7.5, 120 mM NaCl), hydroxylated HIF-1&#945;556-574 was reacted with Eu VBC protein in the binding buffer at RT for 60 minutes. The reaction solution was aspirated, and the unbound Eu VBC protein was washed away by washing 3 times with an elution buffer. Subsequently, 10 &#956;l of rabbit anti-Eu VBC polyclonal antibody was added. After further 30 minutes, 10 &#956;l of anti-rabbit polyclonal antibody immunoglobulin coupled to horseradish peroxidase was added to the binding buffer. To determine the amount of bound Eu VBC protein, it was incubated with TMB for 15 minutes. The color reaction was terminated by addition of 100 &#956;l of 1 M sulfuric acid. The amount of bound Eu VBC protein was determined by measuring optical density at 450 nm, which was proportional to the amount of hydroxylated proline in the peptide substrate.
9932	1	Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 &#956;M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 &#956;M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 l/well termination buffer (Carna Biosciences) and signal determination using aCaliper EZ Reader (Perkin Elmer, UK).
9933	1	In Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assays	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05 M acetate, pH 4.5, 8% DMSO final, 100 &#956;M genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The &#946;-secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2), which was pre-incubated for one hour with the test compound, typically in about 1 uL of DMSO according to a serial dilution, was added thereto. The assay was effectively started by the addition of FRET substrate (50 nM) and the combination was incubated for one hour. The FRET assay was terminated by the addition of tris buffer, which raised the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The specific FRET substrate used in this assay was made by Amgen in-house. Commercially available FRET substrates, for example, the FRET substrate offered with the BACE1 FRET Assay Kit sold by ThermoFisher Scientific (Catalog Number P2985), may be used in this assay with the appropriate modifications, which are within the purview of the ability of a person with ordinary skill in the art. Proteolytic cleavage of the FRET substrate released quenching of fluorescence (excitation 488 nm and emission 590 nm).
9933	3	In Vitro Enzymatic Cathepsin D (CatD) FRET Assay	Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) was pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays was effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination was incubated for one hour. The FRET assay was terminated with by addition of tris buffer, which raises the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the CatD cleavage site. The CatD substrate peptide sequence was based on sequence #1 of Table 1 from Gulnik et al., FEBS Lett. 413(2):379-384 (1997). Proteolytic cleavage of the FRET substrate released quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).Alternatively, a CatD assay may also be run according to the procedure described in Yasuda et al., J. Biochem. 125(6): 1137-1143 (1999). In addition, the CatD and Cathepsin E assays are described in International Patent Application Publication No. WO2011069934.The in vitro CatD FRET assay data for each of the Examples is provided in Table 2, conducted by the first procedure described above. As shown by the high micromolar CatD data (very poorly active or inactive against CatD), the compounds disclosed herein possess the unexpected property of little to no ability to inhibit the activity of CatD. Thus, with this surprising selectivity profile, the compounds provided herein are believed to minimize, reduce or completely eliminate any risk of retinal atrophy and abnormal development of the eye and of the retinal pigmented epithelium as it relates to the normal function and activity of CatD.
9934	1	STING SPA Binding Assay	The human STING SPA binding assay measures displacement of tritium labeled 2&#8242;,3&#8242;cGAMP (cyclic (guanosine-(2&#8242;&#8594;5&#8242;)-monophosphate-adenosine-(3&#8242;&#8594;5&#8242;)-monophosphate) to biotinylated STING protein. A soluble version of recombinant STING was expressed in E. coli that lacks the four transmembrane domains and contains residues 139-379 of Q86WV6 with an R at position 232 (H232R). Based on the allele frequency of 58% of the population, H232R is considered to be a wild type (Yi, et. al., Single Nucleotide Polymorphisms of Human STING can affect innate immune response to cyclic dinucleotides PLOS ONE. 2013, 8(10), e77846). The STING construct has an N-terminal HIS tag, followed by a TEV protease cleavage site and an AVI tag to allow directed biotinylation by BirA biotin ligase (Beckett et al., A minimal peptide substrate in biotin holoenzyme synthetase-catalyzed biotinylation. (1999) Protein Science 8, 921-929). The HIS tag is cleaved after purification and prior to biotinylation.The assay was run in 1536-well plates in a total volume of 8 &#956;L per well by adding 8 nM [3H]-2&#8242;3&#8242;-cGAMP and 40 nM biotin-STING protein in assay buffer [25 mM HEPES (Corning 25-060-C1) pH 7.5, 150 mM NaCl (Sigma S5150), 0.5 mg/mL BSA (Gibco 15260-037), 0.001% Tween-20 (Sigma P7949), molecular grade water (Corning 46-000-CM)]. Test compounds (80 nL) were added with an acoustic dispenser (EDC Biosystems) in 100% DMSO for a final assay concentration of 1% DMSO. Plates were centrifuged for 1 min and incubated for 60 min at room temperature. Finally, (2 &#956;L) polystyrene streptavidin SPA beads (PerkinElmer RPNQ0306) were added and plates were sealed and centrifuged for 1 min at room temperature. Plates were dark adapted for 2 h and read on a ViewLux (Perkin Elmer) for 12 min per plate. A saturation binding curve for [3H]-2&#8242;3&#8242;-cGAMP showed a KD of 3.6±0.3 nM for binding to STING, comparable to reported values for the natural ligand (Zhang et al., Cyclic GMP-AMP containing mixed phosphodiester linkages is an endogenous high-affinity ligand for STING.
9934	2	STING Human Cell Reporter Assay	Agonism of the human STING pathway is assessed in THP1-ISG cells (Invivogen, cat #thp-isg) derived from human THP1 monocyte cell line by stable integration of an interferon regulatory factor (IRF)-inducible SEAP reporter construct. THP1-Blue ISG cells express a secreted embryonic alkaline phosphatase (SEAP) reporter gene under the control of an ISG54 minimal promoter in conjunction with five interferon (IFN)-stimulated response elements. As a result, THP1-Blue ISG cells allow the monitoring of IRF activation by determining the activity of SEAP. The levels of IRF-induced SEAP in the cell culture supernatant are readily assessed with alkaline phosphatase detection medium, a SEAP detection reagent. These cells are resistant to Zeocin. 2&#8242;3&#8242;cGAMP was used as a positive control in this assay. To run the assay, 60,000 cells were dispensed in 30 &#956;L/well of a white, opaque bottom tissue culture treated 384-well plate.Test compounds were added in a volume of 10 &#956;L (1% DMSO final concentration). Compounds are initially prepared in 100% DMSO, spotted on an intermediate dilution plate and then diluted in media prior to transfer. The assay was incubated for 24 h at 37° C., 5% CO2 then plates were centrifuged at 1200 rpm (120×g) for 5 min. After final incubation, 90 &#956;L of alkaline phosphatase detection medium-substrate was added to each well of a new 384-well clear plate and 10 &#956;L of the cell supernatant was transferred from the assay plate to the new alkaline phosphatase detection medium-plate using a Biomek FX and mixed 4 times. Plates were incubated at RT for 20 min then absorbance at 655 nm was determined on the Tecan Safire2.
9934	3	STING SPR Binding Assay	Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S streptavidin chip via biotin capture (GE Healthcare #BR100531) with. Compounds were screened at 1:2 dilutions from 100 uM to 0.195 uM in run buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 0.005% P20, 1 mM TECEP). Steady state affinity and kinetic evaluations were carried out using 1:1 binding model (STING was treated as a dimer). Run parameters were as follows: 60 sec on, 300 sec off for the IFM compounds, cyclic-di-GMP (60 sec on/60 sec off), thiol isomer 1 (60 sec on/300 sec off) and cGAMP (60 sec on/1200 sec off) with a flow rate of 50 &#956;L/min and data collection at 40 Hz at 25° C.
9935	1	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 of Assay Buffer (150 mM NaCl, 20 mM Tris-C1 pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
9936	1	Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labeled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 uL (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
9937	1	Biochemical Activity Assay	The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 &#956;l of PDHK2 (human, rec, Carna Bioscience, 10 ng/&#956;l-137 nM final concentration) and PDC (isolated from porcine heart, Sigma-Aldrich, 20 mU/ml final concentration) are incubated in the absence or presence of the test compound (10 dilution concentrations) for 30 min at room temperature in kinase buffer (15 mM potassium phosphate buffer, pH 7.0, 60 mM KCl, 1.5 mM DTT, 2.5 mM MgCl2, 0.0125% (w/v) BSA, 0.125% Pluronic F-68). The kinase reaction is started by the addition of 4 &#956;l ATP substrate solution (fc 5 &#956;M in kinase buffer). After 30 min incubation at 37° C. 40 &#956;l of PDC reaction solution (100 mM Tris/HCl, pH 7.8, 0.5 mM EDTA, 1 mM MgCl2, 50 mM NaF, 0.25 mM Coenzyme A, 5 mM pyruvate, 1 mM NAD, 5 mM DTT, 1 mM thiamine pyrophosphate) is added. The first fluorescence measurement is performed on a Perkin Elmer Envision (Exc 340 nm, Em 450 nm). The reaction is incubated for 45 min at room temperature. Afterwards a second fluorescence measurement is performed and the PDC activity is calculated by the difference between both measurements. 
9937	2	Isothermal Titration Calorimetry	ITC measurements were performed with a VP-ITC micro calorimeter (Microcal, LLC/GE Healthcare Bio-Sciences AB, Uppsala, Sweden). In general titrations were performed by titrating the protein (50 &#956;M) to the test compound (5 &#956;M) in 12 &#956;l injections. All binding experiments were carried out at 30° C. In general the test compounds were diluted form DMSO stock solutions into the measurement buffer with a maximum final concentration of 1% DMSO. The measurement buffer was 20 mM HEPES, 135 mM KCl, 1 mM TCEP, 2 mM MgCl2, 15 mM NaH2PO4, pH 7.5. The human PDHK2 (12-407) was produced in E. coli as his-tagged protein and purified by affinity chromatography. The tag was removed by side specific proteolysis. Before titration the protein buffer was changed to the measurement buffer containing the same DMSO concentration as the test compound dilution. ITC data analysis was performed using Origin 7 calorimetry software from the same supplier. 
9938	1	Inhibition Assay	Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2Final concentrations:100 nM hPAD4 enzyme50 &#956;M (8-fold sub-Km) substrate peptide0.5% DMSOTotal incubation time: 65 mins at 37° C.Stop solution: 40 &#956;l 5% TCA in ACN0.25 &#956;L of compound solution was added to 10 &#956;L of 200 nM PAD4 in assay buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT). After 5 mins, 10 &#956;L of 100 &#956;M of substrate in buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT, 2 mM CaCl2) was added and the reaction incubated for 60 mins at 37° C. The enzymatic reaction was quenched by addition of 40 &#956;l of 5% TCA in ACN (1.7% TCA final concentration) stop solution. Arginine containing substrate and citrulline containing product (+1 Da mass shift) were subjected to solid phase extraction on Agilent RapidFire (RF) 300 system and detected on a coupled, triple quadrupole Agilent 6460 QQQ mass spectrometry (MS) device under application of multiple reaction monitoring (MRM) for quantitation.
9939	1	Electrophysiology Assay	Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40 &#956;M acetylcholine added to the external recording solution; test compounds were then transferred to the IonFlux HT population patch plate. Internal recording solution (110 mM TrisPO4, 28 mM TrisBase, 0.1 mM CaCl2, 2 mM MgCl2, 11 mM EGTA, 4 mM MgATP) was added to the internal recording solution inlet wells on the IonFlux HT patch plate previously loaded with cells and test compounds, and the plate loaded into the IonFlux HT instrument. A protocol was executed on the IonFlux HT to trap the cells, break into the cells, and establish the whole-cell recording configuration; cells were voltage-clamped at a holding potential of &#8722;60 mV for the duration of the experiment, all experiments were conducted at room temperature, and the IonFlux HT injection pressure was 8 psi for solution applications.
9940	1	Fluorescence Polarization Assay	The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 &#956;L. 25 &#956;L of assay buffer (20 mM HEPES, pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 2 mM DTT, 0.1 mg/mL BGG, and 0.01% NP-40) were added, followed by 25 &#956;L of assay buffer containing 6 nM FITC-GDA (fluorescent tracer, stock in DMSO, diluted in assay buffer) and 50 &#956;L of assay buffer containing 10 nM of either Grp94 or Hsp90&#945; were added to each well. For each plate, wells containing buffer only (background), tracer in buffer only (low polarization control) and protein, tracer, and 1% DMSO (final concentration, high polarization control) were included. Compounds were then added with a final concentration of DMSO=1%. Plates were incubated at 4° C. with rocking for 24 h. Polarization values (in mP units) were measured at 37° C. with an excitation filter at 485 nm and an emission filter at 528 nm. Polarization values were correlated to % tracer bound and compound concentrations. The concentration at which the tracer was 50% displaced by compound of interested were calculated and reported as apparent Kd&#39;s.
9941	1	Isothermal Titration Calorimetry Analysis of Binding to Brd2-BD1 and Brd2-BD2	Binding of compounds to BRD2 was monitored using an ITC200 (Microcal, Piscataway, N.J.). Either Brd2.1 (74-194) or Brd2.2 (348-455) was dialyzed overnight into a solution containing 50 mM HEPES, pH 7.0 and 150 mM NaCl at 15° C. Enzyme concentrations were determined after dialysis by absorbance at 280 nm using a molar extinction coefficient (&#949;280) of 25,565 M&#8722;1 cm&#8722;1 (2.1) or 16,055 M&#8722;1 cm&#8722;1 (2.2). Enzyme was diluted in dialysis buffer and 39.6 &#956;L was loaded into the syringe. Compounds were dissolved in the same dialysis buffer and loaded in the cell to a volume of 204 &#956;L. Injections were carried out by serial injections of enzyme; first, 1 injection of 1 &#956;L, followed by 19 incremental injections of 2 &#956;L, at 120 second intervals. Data from the first injection was excluded, due to pre-equilibration mixing between the contents of cell and syringe at the syringe tip. Peak areas were integrated, normalized, and then fitted by non-linear regression using the independent sites model in Origin (version 2.3.6, Microcal, Piscataway, N.J.).
9942	1	Inhibitory Enzyme Activity (In Vitro Assay)	Reagents used: L-Dihydroorotic acid, Sigma, D7128, 2,6-Dichloroindophenol sodium salt hydrate, sigma, D1878 Dimethyl sulfoxide (DMSO), spectroscopic grade purchased from Spectrochem, cat no. 0704209, B. no. 3183650 Decylubiquinone, Sigma, D7911.Preparation of Solutions/Reagents:Buffer Preparation: 50 mM tris HCl, 150 mM KCl, and pH 8.0, 0.8% triton.L-Dihydroorotic acid stock solution of 20 mM in buffer.2, 6-Dichloroindophenol Sodium salt hydrate stock solution of 20 mM in buffer.Decylubiquinone stock solution of 20 mM in buffer.DMSO used as vehicle.Procedure:5 &#956;L of Dimethyl sulfoxide or a compound of formula (I) in DMSO solution was added to the wells of a 96 well plate. Compounds of formula (I) were measured at 10 &#956;M.
9943	1	Radioligand Binding Competition Assay	For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, 6005174), presoaked in 0.01% Brij for 2 h at room temperature were used. Filters were washed six times with 0.5 mL of ice-cold washing buffer (50 mM Tris pH 7.4) and 50 &#956;L of Microscint 20 (Packard) was added in each well. The plates were then incubated for 15 min on an orbital shaker and then counted with a TopCount for 1 min/well. Another radioligand binding assay was used to evaluate the binding affinity for the adenosine A2A receptor assay was performed in duplicate in the wells of a 384 plate. Assay buffer contained DPBS 500 mM, MgCl2 0.1 mM, and 1% DMSO. Membrane-bead suspension was prepared by mixing 25.98 &#956;L of human adenosine A2A membrane preparation (Perkin Elmer, RBHA2AM400UA) at 33.4 &#956;g/mL, 28 &#956;L of ADA at 20 &#956;g/mL, and 932 &#956;L of SPA beads at 3.33 mg/mL) and incubated the mixture for 20 min at room temperature. Mixed 20 &#956;L of radiotracer (3H-SCH 58261) at 15 nM to each well containing test articles at various concentrations and centrifuge the plate at 1000 rpm for 1 minute. Added 30 &#956;L of the membraine-bead suspension to each well. Sealed the plates and incubated for 1 hr at room temperature with vigorous mixing on a plate mixer. Plates were read on Microbeta2 (Perkin Elmer, 2450-0010).
9944	1	Biochemical Assay	IC50 values were determined using the Z&#8242;-LYTE activity assay, with ATP concentration used at Km app for the specific assay (500 &#956;M ATP for CSF-1R (FMS) and 75 &#956;M ATP for KDR (VEGFR2)).The Z&#8242;-LYTE biochemical assay employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. The peptide substrate is labelled with two fluorophores one at each end that make up a FRET (fluorescence resonance energy transfer) pair.
9945	1	In Vitro Enzyme Inhibition Assay	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 uM FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively. The assay reaction was performed according to the following procedure: 2 uL of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 uL of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 uL of 0.3 nM LSD1 and 6 LM of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 uL of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature.
9946	1	Inhibition Assay	Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM TrxR1 was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of the compounds (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 2 mM DTNB was added to each well and the change in O.D. at 412 nm was followed. Percent activity was determined using DMSO vehicle and no TrxR1 (blank) controls. 2 nM GR was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compounds (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 1 mM GSSG was added to each well and the change in O.D. at 340 nm was followed. Percent activity was determined using DMSO vehicle and no GR (blank) controls.
9947	1	Radioligand Binding Assay	Saturation experiments. A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand is performed in 5 mL borosilicate glass test tubes at room temperature. Binding is initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding is determined in the presence of 1 &#956;M unlabeled compound. After 18 h, the reactants are filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters are washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters is quantified by liquid scintillation counting.
9947	2	Electrophysiological Assay (EP) (In Vitro Assay)	The following voltage clamp electrophysiology studies are performed on representative compounds using cells heterologously expressing Nav1.7 or Nav1.5 channels. cDNAsfor Nav1.7 (NM_002977) and Nav1.5 (AC137587) are stably expressed in Chinese Hamstr Ovary (CHO) cells and CHL (Chinese Hamster Lung) cells respectively. Sodium currents are measured in the whole-cell configuration using Syncropatch 384PE (Nanlon Technologies, Germany). 1NPC -384 chips with custom medium resistance and single hole mode are used. Internal solution consists of (in mM): 110 CsCl, 10 CsCl, 20 EGTA, and 10 Hepes (pH adjusted to 7.2); and external solution contains (in mM): 60 NMDG, 80 NaCl, 4 KCl, 1 MgCl2, 2 CaCl2, 2 D-Glucose monohydrate, 10 Hepes (pH adjusted to 7.4 with NaOH).
9948	1	Biochemical Assay 	Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme reaction conditions50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 2 mM DTT5 nM LRRK2134 &#956;M ATP60 minute reaction time23° C. reaction temperature10 &#956;L total reaction volumeDetection reaction conditions1×TR-FRET dilution buffer10 mM EDTA2 nM antibody23° C. reaction temperature10 &#956;L total reaction volumeCompounds were prepared by initially diluting to 1 mM with DMSO. 35 &#956;L of reference compound solution, 35 &#956;L of test compound solution, and 35 &#956;L HPE were successively added to the source plate (384-well assay plate, Labcyte). The plates were centrifuged at 2500 rpm for 1 minute and sealed in foil. POD was used to perform a 3.162 fold serial dilution and 100 nL of reference compound solution, test compound solution, HPE and ZPE were transferred to assay plates. The assay plate was centrifuged at 2500 rpm for 1 minute, and sealed with foil.To perform the enzyme reaction, 5 &#956;L of LRRKtide substrate and kinase mixture in assay buffer was added to all wells of the assay plate. The plate was centrifuged to concentrate the mixture at the bottom of the wells. The assay plate was incubated at 23° C. for 20 minutes. Following incubation, 5 &#956;L of 2×ATP in assay buffer was added to each well, and plates were centrifuged to concentrate the mixture at the bottom of the wells. The plate was incubated at 23° C. for 60 minutes.
9949	1	PRMT1 Enzymatic Assay	This enzymatic assay was performed in a 384 well, white, low volume plate (PerkinElmer, Catalog 6008289) with assay buffer consisting of 50 mM Hepes (pH 8) (Teknova, Catalog #H1090), 1 mM TCEP (Sigma, Catalog #C4706), and 0.003% Tween-20 (Thermo, Catalog #85114). Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog #D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:40 in assay buffer, and 2 uL/well were transferred to the assay plate. 4 uL/well (final concentration 1.5 nM) of PRMT1 protein (SignalChem, Catalog #P365-380G) diluted in assay buffer was added to the assay plate followed by a 15 min preincubation at room temperature. 4 uL/well of SAM (Sigma, Catalog #A7007) and biotinylated histone H4 (1-21) (AnaSpec, Catalog #62555) (final concentrations 1 &#956;M and 25 nM, respectively) diluted in assay buffer were then added to the assay plate followed by a 1 hour reaction time. Final concentrations of PRMT1, SAM, and histone H4 (1-21) refer to a 10 &#956;L volume.
9949	2	RapidFire Mass Spectrometry Selectivity Assay	PRMT1,4,6: This enzymatic assay was performed in a 384 well, white, low volume plate (PerkinElmer, Catalog 6008289) with assay buffer consisting of 50 mM Hepes (pH 8) (Teknova, Catalog #H1090), 1 mM TCEP (Sigma, Catalog #C4706), and 0.003% Tween-20 (Thermo, Catalog #85114). Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog #D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:40 in assay buffer, and 2 uL/well were transferred to the assay plate. 4 uL/well (final concentration 1.5 nM) of PRMT1 protein (SignalChem, Catalog #P365-380G) diluted in assay buffer was added to the assay plate followed by a 15 min preincubation at room temperature. 4 uL/well of SAM (Sigma, Catalog #A7007) and biotinylated histone H4 (1-21) (AnaSpec, Catalog #62555) (final concentrations 1 &#956;M and 25 nM, respectively) diluted in assay buffer were then added to the assay plate followed by a 1 hour reaction time. Final concentrations of PRMT1, SAM, and histone H4 (1-21) refer to a 10 &#956;L volume.
9950	1	Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 l/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
9951	1	Evaluation of BRD4 binding inhibition ability	The following experiment was performed to evaluate the ability of [1,2,4]triazolo[4,3-a]quinoxaline derivative of the present invention to inhibit the interaction between BRD4 (BD1+BD2) bromodomain, one of BET protein family, and tetraacetylated histone H4 peptide.The compound was serially diluted at the ratio of 1:5 in assay buffer from 10 mM stock in DMSO (initial concentration: 100 &#956;M) on white OptiPlate-384 (PerkinElmer). A mixture comprising 100 nM GST-BRD4 (BD1+BD2) and 100 nM biotinylated acetyl-histone H4 (Lys5,8,12,16) peptide was prepared in assay buffer (50 mM HEPES pH 7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). After adding 6 &#956;l of the mixture to the diluent, 6 &#956;l of the pre-mixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads (PerkinElmer, 10 &#956;g/ml in assay buffer, respectively) was added thereto. The samples were incubated in the dark at room temperature for 30 minutes (shaking at 300 rpm). Then, the signals were measured with PerkinElmer Envision HTS Multilabel Reader using an alpha screen protocol of PerkinElmer. Each plate contained the negative control in which biotinylated acetyl-histone H4 peptide and GST-BRD4 (BD1+BD2) were replaced by assay buffer. In the case of using the software GraphPad Prism for calculation, the negative control point was input as a low standard value. The positive control (probe molecule l-BET762 containing protein/peptide mixture) proceeded to pipetting. IC50 value was determined by using GraphPad Prism 3.03 software (or an updated version thereof).
9952	1	Enzyme Assay	Assays for PDE 1 through 11 were performed in parallel at room temperature in 384-well microtiter plates with an incubation volume of 20.2 &#956;L. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 30 &#956;L of each of ten solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition was determined by adding buffer in place of the enzyme and 0% inhibition is determined by using DMSO (1% final concentrations). A Labcyte POD 810 (Labcyte, Sunnyvale, Calif.) was used to dispense 200 nL from each well of the titration plate to make eleven copies of the assay plate for each titration, one copy for each PDE enzyme. A solution of each enzyme (dilution from aliquots, sufficient to produce 20% substrate conversion) and a separate solution of FAM-labeled cAMP or FAM-labeled cGMP from Molecular Devices (Sunnyvale, Calif., product # R7506 or cGMP#R7508), at a final concentration of 50 nM were made in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). Note that the substrate for PDE2 is 50 nM FAM cAMP containing 1000 nM of cGMP. The enzyme and the substrate were then added to the assay plates in two consecutive additions of 10 &#956;L and then shaken to mix. The reaction was allowed to proceed at room temperature for 60 minutes. A binding solution was then made from the kit components, comprised of 80% Solution A, 20% Solution B and binding reagent at a volume of 1/600 the total binding solution. The enzymatic reaction was stopped by addition of 60 &#956;L of the binding solution to each well of the assay plate. The plates were sealed and shaken for 10 seconds
9953	1	Tyk2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 1 nM Tyk2 in a total volume of 25 &#956;L. Human Tyk2 kinase domain, comprising amino acids 886 to 1187 with 10 additional histidine residues (histidine tag) on the carboxy terminus, was expressed and purified from bacculovirus in-house at Array BioPharma Inc. (Boulder, Colo.). The histidine tag was cleaved after purification using standard conditions.
9953	2	JAK1 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 8 &#956;M Omnia Y12 peptide (Catalog # IVGN KPZ3121C; Invitrogen Corporation, Carlsbad, Calif.) and 12.5 nM JAK1 in a total volume of 25 &#956;L. JAK1 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4775).
9953	3	JAK2 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM JAK2 in a total volume of 25 &#956;L. JAK2 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4288).
9953	4	JAK3 Inhibition Assay	Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture contained 1 mM ATP, 10 &#956;M Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 2 nM JAK3 in a total volume of 25 &#956;L. JAK3 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4080).
9954	1	Biochemical Assay	The 6 &#956;L reactions are run in Greiner brand black 384-well low volume assay plates. All reactions contained assay buffer (phosphate buffered saline, 0.01% (v/v) Tween-20, 0.01% (w/v) albumin from chicken egg white, 1 mM Dithiothreitol, 1 &#956;M peptide substrate, 1 &#956;M S-Adenosyl methionine, and 15 ng/reaction enzyme, with the enzyme being omitted from negative control reactions. Compounds were added in a volume of 100 nL from dilution series prepared in DMSO, positive and negative control reactions receiving the same volume DMSO without compound. The plates were sealed with adhesive seals and incubated for 4 hours at 37 degree Celsius. Reaction progress was measured using the Transcreener EPIGEN methyltransferase assay (BellBrook Labs, Madison, Wis.) as recommended by the manufacturer. To each reaction 2 &#956;L detection mix were added, containing coupling enzymes, fluorescence polarisation tracer, and AMP antibody. Plates were incubated for 90 minutes before being read on a PerkinElmer EnVision plate reader in fluorescence polarisation mode. 
9955	1	In Vitro Enzyme Activity Assay	The full-length coding sequences of human TPH1 and TPH2 were PCR amplified, ligated into a MBP fusion vector (pMalc2x, New England Biolabs, MA, USA) and transformed into SCS1 (Stratagene, CA, USA) to amplify plasmid DNA. For the overexpression of TPH proteins, the constructs were transformed into Rosetta (DE3) (Novagen /EMD Millipore, MA, USA) and cultivated in terrific broth (TB) medium (AppliChem, Darmstadt, Germany) at 37° C. When the bacterial cultures reached an OD600&#8776;2, expression was induced with 0.5 mM IPTG (AppliChem, Darmstadt, Germany) over night at 17° C. The purification of soluble proteins started with sonication-mediated cell disruption in lysis buffer (1×PBS pH 7.4, 0.5 M NaCl, 5 Glycerol+CHAPS, DTT, PMSF, benzonase), followed by affinity purification (MBPTrap, GE Healthcare, UK) and gel filtration (26/60 Superdex 200 prep grade, GE Healthcare, UK), according to the manufacturer&#39;s protocol. The quality of protein expression and solubility was controlled by SDS-PAGE and Coomassie blue staining.
9956	1	Binding Assay	Binding affinity (Ki) of compounds was measured by inhibition of radioligand binding to membranes from CHO cells expressing human M1, M2, M3, M4 and M5 receptors. Membranes were prepared by nitrogen cavitation and differential centrifugation as previously described (Hoare et al., Mol. Pharmacol. 2003 March; 63(3): 751-65). The radioligand employed was tritiated N-methylscopolamine, used at a concentration of 1.5 nM. A dose-response of twelve concentrations of compound was used, ranging from 10 M to 32 M. The assay buffer was 50 mM HEPES, 100 mM NaCl, 5 mM MgCl2, 1 mM ethylenediaminetetraacetic acid, pH-adjusted to pH 7.4.
9957	1	Biochemical Assay	The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing two appropriately spaced phosphotyrosine. Full length SHP2 protein (Recombinant HumanSHP-2, E. coli derived Ser2Arg593, N-terminal 6His tag from R&D systems; 0.0.24 nM) was incubated with activating peptide, IRSI_2pY (New England Peptide, 140 nM) and DiFMUP (molecular probes, 80 uM) at RT in buffer (HEPES pH 7.2 60 mM, DDT 5 mM, KCl 75 mM, NaCl 75 mM, EDTA 1 mM, Tween 20 0.05%) in presence of compound (10 concentrations range, top concentration 50 M) for 60 min. The generation of the DiFMU product by activated SHP2 was monitored through Fluorescence measurement with a PerkinElmer Envision reader.
9958	1	Fluorescence Based Assay	ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (Pantoliano, M. W., Petrella, E. C., Kwasnoski, J. D., Lobanov, V. S., Myslik, J., Graf, E., Carver, T., Asel, E., Springer, B. A., Lane, P., and Salemme, F. R. (2001) High-density miniaturized thermal shift assays as a general strategy for drug discovery. J Biomol Screen 6, 429-40, and Matulis, D., Kranz, J. K., Salemme, F. R., and Todd, M. J. (2005) Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor. Biochemistry 44, 5258-66). This approach is applicable to a wide variety of systems, and rigorous in theoretical interpretation through quantitation of equilibrium binding constants (KD).
9959	1	Enzyme Assay	HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 &#956;M delta aminolevulinic acid for 48 hours at 16 degrees Celsius. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 &#956;M methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDO1 concentration of 40 nM. IDO1 solution (30 &#956;M) or buffer alone (30 &#956;M) was dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at room temperature for 30 minutes. Afterwards, 10 &#956;L of 400 &#956;M tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at room temperature for 60 minutes and reactions were quenched by addition of 10 &#956;L of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37 degrees Celsius for 4 hours or 50 degrees Celsius for 2 hours. The plates are allowed to cool and then centrifuged for 1 minute at 1000×g. The resulting fluorescence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.
9960	1	Scintillation Proximity Assay	The scintillation proximity assay (SPA) is designed to measure PARP activity using purified recombinant PARP-1 enzyme and is ideal for high throughput screening of small molecular inhibitors for drug discovery. Here, recombinant human PARP-1 or PARP-2 enzyme was incubated with substrate mix (NAD, 3H-NAD and biotinylated-NAD) and the [3H] and biotin-labeled ADP-ribose polymers were captured using Streptavidin-conjugated PVT SPA beads. In the absence of enzyme inhibition, 100% signal was obtained. Inhibitors are identified by a decrease in signal when PARP-1 or PARP-2 mediated poly-ADP ribose polymer formation is reduced.
9961	1	Biochemical Assay	The binding of compounds to ASK1 were determined using DiscoverX&#39;s proprietary technology. KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site directed ligand. The assay is performed by combining three components: DNA-tagged ASK1 kinase; immobilized ligand; and a test compound. The ability of the test compound to compete with the immobilized ligand is measured via quantitative PCR of the DNA tag. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for ASK1 kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding. Binding reactions were assembled by combining DNA-tagged ASK1 kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions were performed in polypropylene 384-well plate. Each fraction had a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.504 non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. Most Kds were determined using a compound top concentration=30,000 nM. If the initial Kd determined was <0.5 nM (the lowest concentration tested), the measurement was repeated with a serial dilution starting at a lower top concentration. 
9962	1	In Vitro Assay	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 &#956;L. To 1 &#956;L of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 &#956;L of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). 
9963	1	Competition Binding Assay	Ligand competition binding was used.
9964	1	Binding Assay	Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 ul 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23 C incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters: TR_FRET, 340ex/615 and 665em; 100 usec Delay; and 200 usec integration.
9964	2	Enzymatic Assay	HTRF: Final Assay Conditions:HPK full length, T165E S171E : 0.125 nMBiotin-SLP76: 100 nMATP: 1 mM(ATP Km = 20 uM)Eu-anti-pSLP76: 2 nMSA-XL665: 8.3 nMPreincubation time: 30 minKinase reaction time: 60 minTemperature: ambientTotal volume: 12 ulATPapp Km: 17.7 uMMaterials:Assay plate: White ProxiPlate 384 F (PerkinElmer cat #6008289)Kinase: HPK full length double mutantSubstrate: Biotin-SLP76ATP: 100 mM ATPBSG: 2% BSGDMSO: DMSO (Sigma cat #34869-100ML)Reaction Buffer: H2O/50 mM HEPES, pH 7.5/10 mM MgCl2/2 mM TCEP/0.01% Brij-35/0.01% BSGDetection mix: Eu-anti-pSLP76/SA-XL665 (Cisbio, #610SAXAC)Assay Procedure Ki Determination:To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 &#956;l/well kinase mix. The mixture was preincubated for 30 minutes and then 4 &#956;l/well substrate mix was added. The solution was incubated for 60 min and then 4 &#956;l/well detection mix was added. The solution was incubated for another 60 min. The plates were then loaded onto a Perkin Elmer Envision and the TR-FRET signal was measured at 615 and 665 nm. A ratio of 665/620 was used to calculate the % activity at each concentration of compound.
9965	1	Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 &#956;M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 &#956;M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 &#956;l/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
9966	1	Transcreener-Fluorecescence Polarization Assay	The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over the course of a 90 min incubation, which resulted in 10-12% conversion of the starting ATP to ADP. Final IRAK4 assay conditions were 1.25 nM IRAK4; 125 uM ATP; 10 uM MgCl2; 125 uM peptide in reaction buffer (25 mM HEPES (pH7.4); 2 mM Dithiothreitol; 0.015% Brij-35; and 0.5% dimethyl sulfoxide. The IRAK1 activity was optimized similarly, yielding final assay conditions of 1.5 nM IRAK1; 62.5 uM ATP; 5 uM MgCl2, and 62.5 uM IRAK1 peptide in reaction buffer for 60 min.Assays of compounds for kinase inhibition were performed using inhibitors serially-diluted in dimethyl sulfoxide, which was accomplished with a LabCyte Echo 555 liquid dispenser. 384 well assay plates spotted with compound received 4 ul of a 2× substrate (ATP+peptide) mix in reaction buffer, followed by 4 ul of 2× enzyme diluted in reaction buffer. Reactions were halted at 60 (IRAK1) or 90 (IRAK4) min by addition of 6 ul of detection buffer, containing EDTA (40 nM final concentration), 0.95 ug of the ADP-binding antibody ADP2, ADP tracer (3 nM final concentration), and 25 uM HEPES. Following a 1 hr incubation, fluorescence polarization of the ADP2-antibody TRACER complex was read on a Tecan M1000 plate reader using a 635/20 excitation filter in combination with a 670/20 emission filter. Delta milli-P values were analyzed using Genedata software to fit dose-response curves and compute compound Ki values, using ATP Km values of 642 um and 83.2 uM for IRAK4 and IRAK1, respectively.
9967	1	Biological Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5×104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist (2S)-2-amino-4-phosphonobutanoic acid (L-AP4) was added to the cells at a concentration corresponding to EC20 with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of L-AP4 was determined immediately ahead of each experiment by recording of a full dose-response curve of L-AP4.
9968	1	Inhibition Assay	The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffers containing 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, and 5 mM DTT.0.33 nM of SHP2 was co-incubated with of 0.5 &#956;M of bisphos-IRS1 peptide (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) and various concentrations of compounds for 30-60 min at room temperature. Then the reaction was initiated by addition of the surrogate substrate DiFMUP (Invitrogen, Cat# D6567, 100 uM final).
9969	1	Enzyme In Vitro Assay	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.5 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 30 minutes at room temperature before the addition of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776).
9969	2	Biological Activity of Disclosed Compounds In Vitro	The ability of compounds to inhibit endogenous, cell-bound CD73 enzyme activity was demonstrated using SK-MEL-28 cells, which express CD73 on their surface. The day before the experiment, 5000 cells were plated per well in a 96-well plate. Cells were washed twice with 200 &#956;L reaction buffer (20 mM HEPES, pH 7.4, 125 mM NaCl, 1 mM KCl, 2 mM MgCl2, 10 mM glucose) to remove residual inorganic phosphate. After washing, assays contained serial dilutions of test compounds and 100 &#956;M of AMP in a total volume of 200 &#956;L reaction buffer, with a final DMSO concentration &#8804;0.5%. After 30 minutes at room temperature, supernatant was removed from the cells. A volume of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776) was added to 25 &#956;L of supernatant. After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer. The concentration of inorganic phosphate was determined using a phosphate standard curve to determine IC50.
9970	1	AlphaScreen Assay	AlphaScreen was used with the aim of identifying novel modulators by taking advantage of the bimolecular interaction prevailing between FXR and the LXXLL motif present in the NR box of the steroid receptor coactivator 1 (SRC-1).Human FXR-LBD-GST was incubated with increasing concentrations of the indicated ligands in the presence of biotinylated LXXLL SRC-1 peptide. The AlphaScreen signal increases when the complex receptor-coactivator is formed.
9971	1	Inhibition Assay	KDM1A inhibition assay: a multistep enzymatic reaction in which the enzyme first produces H2O2 during the demethylation of lysine 4 in a 21 AA H3K4me2 N-terminal peptide. KDM1A chemoprobes were pre-incubated for 15 min with human recombinant KDM1A enzyme (BPS Bioscience, Ref. 50100) on ice in the assay buffer (50 mM sodium phosphate pH 7.4). The enzymatic reaction was initiated by the addition of KM dimethylH3K4 peptide substrate (Anaspec, Ref. 63677). After 30 min of incubation at 37° C. Amplex Red reagent and the horseradish peroxidase (HRP) solution were added according to the recommendations of the supplier (Invitrogen) and left to incubate for 5 min at room temperature in the dark. Conversion of the Amplex Red reagent to resorufin, was monitored by fluorescence (&#955;ex=540 nm, &#955;em=590 nm) using a microplate reader (Infinite F200 Tecan). Signals were corrected for background and the IC50 value was calculated with GraphPad Prism Software.
9972	1	Enzyme Assay	Enzyme assays for inhibitor screening employed CYP11B2 and CYP11B1 enzyme enriched microsomes and were run at the Km of the respective substrates. Products of the enzyme reactions, aldosterone for CYP11B2 or cortisol for CYP11B1, were measured by LC-MS. Assays were run under conditions of less than 20% substrate turnover. Inhibitor IC50s were generated by determining the product formation in the absence or presence of inhibitor at various concentrations. In the absence of the test compound, the product formed (Pt) in each data set was defined as 100% activity. In the absence of enzyme, the product formed (Pb) in each data set was defined as 0% activity.
9973	1	In Vitro Assay	Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (Ham F-12 with L-Glutamine) containing 300 &#956;g/ml G418, 100 U/ml penicillin, 100 &#956;g/ml streptomycin and 10% heat inactivated fetal calf serum (FCS). The cells are seeded at 20&#8242;000 cells/well into 384-well black clear bottom sterile plates (Greiner). The seeded plates are incubated overnight at 37° C. in 5% CO2.Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaHCO3: 0.375 g/l and 20 mM HEPES for use in the assay at a final concentration of 3 nM.
13248	4	A2a binding affinity assay C	Method (C): Measurement of A2a Binding Affinity Using an Alternative Radioligand Binding AssayMembranes used in this procedure were made by washing cell cultures twice with DPBS buffer (Dulbecco&#39;s phosphate buffered saline without calcium and magnesium, ThermoFisher Scientific, Cat. No. A1285601), and harvesting the cell cultures by mechanical scraping. The cells were collected by centrifugation and re-suspended in 10 mM HEPES, pH 7.4 containing 0.1 mM benzamidine (Sigma, Cat. No. B6506) and 0.1 mM PMSF (phenylmethylsulfonyl fluoride, Sigma, Cat. No. 10837091001). Cells were freeze-thawed twice in a dry ice/ethanol bath and homogenized with 25 to 30 strokes in a glass dounce homogenizer (Wheaton, Cat. No. 357546). Membranes were pelleted at 40,000×g for 20 min at 4° C. and re-suspended in assay buffer (5 mM HEPES, pH 7.4, 5 mM MgCl2; supplemented with 0.1 mM benzamidine) at a protein concentration of 2.6 mg/mL. Protein concentration was determined by the Bio-Rad method (Bio-Rad, Cat. No. 5000002). Membranes were then incubated with adenosine deaminase (final concentration 2U/mL) for 20 min at 37° C. before use in the binding assay.To perform the binding assay, 50 μg CHO.A2a membranes, 5 nM [3H]CGS21680 (Perkin Elmer, Cat. No. NET1021), and 1 μL of test compound were combined in individual tubes to a volume of 100 μL. To define total and non-specific binding, wells containing 1% DMSO and 20 μM N-ethylcarboxamidoadenosine (Tocris Bioscience, Cat. No. 1691) respectively, were also included. The samples were incubated for 2 h at 37° C. The samples were filtered rapidly through a glass fiber filter using a cell harvester and washed with cold buffer (10 mM Tris, pH7.4, 5 mM MgCl2). The filter was allowed to dry and individual filters were placed into vials together with liquid scintillant and subjected to scintillation counting. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
13249	1	NS5B RNA-Dependent RNA Polymerase Reaction Conditions	Compounds were assayed for inhibition of NS5B-δ21 from HCV GT-1b Con-1. Reactions included purified recombinant enzyme, 1 u/μL negative-strand HCV IRES RNA template, and 1 μM NTP substrates including either [32P]-CTP or [32P]-UTP. Assay plates were incubated at 27° C. for 1 hour before quench. [32P] incorporation into macromolecular product was assessed by filter binding.
13250	1	Surface Plasmon Resonance (SPR)	Briefly, approximately 20 nmol of recombinant STING protein in 1×TBS buffer (25 mM Tris-HCl, pH 7.5, 150 mM NaCl, 5 mM DTT) was mixed with of EZ-Link™ Sulfo-NHS-LC-LC-Biotin (Thermofisher Scientific, cat #21338) at a molar ratio of 1 to 0.6 and incubated on ice for 2 hours. To remove any unreacted biotin reagent, protein/biotin mixture was passed through a Superdex 75 (10/300 GL) column equilibrated with 10 mM HEPES, pH7.4, 150 mM NaCl, 5 mM DTT, 5%[v/v] glycerol. A protein peak containing biotinylated huSTING protein was collected and stored in aliquots at −80° C.Streptavidin was simultaneously immobilized in all four channels of a CM5 sensor chip docked in a Biacore instrument (either Biacore S200 or Biacore T200, GE Healthcare) as described previously (Zender 2013). Minimally biotinylated STING protein was captured onto a streptavidin coated chip surface at 8° C. in SPR binding buffer (50 mM HEPES, pH 7.4, 150 mM NaCl, 2%[v/v] DMSO) by gradually injecting in a single channel at a constant flow-rate of 2 μL/min until desired capture level was achieved, typically 3000 to 7000 RU (1 RU=1 pg/mm2).All binding experiments were performed at 8° C. in SPR binding buffer. To determine binding affinity, compound interaction with immobilized STING protein was analysed using dose-response experiments. Fresh 10 mM DMSO solutions of compound were diluted directly into SPR binding buffer typically to a concentration of 50 μM and then further diluted 2-fold or 3-fold aiming for either a 5- or 7-point concentration series range. Each ligand concentration series was injected at a constant flow rate of 60 μL/min with a 90 second association and a 180 second dissociation time.
13251	1	CDK2, CDK4 and CDK6 Kinase Assays	In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphorylation ratio of FAM labelled peptide (Peptide 18 for CDK2/CycA2, Peptide 8 for CDK4/CycD3). CDK2/CycA2 and CDK6/CycD3 were assayed under buffer conditions in the presence of 50 mM HEPES (pH 7.5), 10 mM MgCl2, 0.0015% Brij-35 and 2 mM dithiothreitol; CDK4/CycD3 with buffer condition of 20 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% Triton X-100 and 2 mM dithiothreitol. Prepare compounds to 50× of the final desired highest inhibitor concentration by 100% DMSO and serial dilution in 3-fold for total of 10 concentrations. For each isoform, dosage of enzyme and substrate are CDK2/CycA2 12 nM, ATP Km 39 μM; CDK4/CycD3 10 nM, ATP Km 221p M; CDK6/cycD3 15 nM, ATP Km 800 μM. After assay for 60 min, 180 min, 60 min respectively at 28° C., reactions were terminated with stop solution (50 mM EDTA, 0.015% Brij-35, 0.2% Coating Reagent #3 and 100 mM HEPES (pH 7.5)). Collect conversion on Caliper EZ Reader. IC50 values were calculated by fitting the dose-response curves with Xlfit excel add-in version 4.3.1.
13251	2	HDAC-1, HDAC-2 and HDAC-6 Assays	The inhibitory effect of compounds on HDAC-1 and HDAC-6 function was determined in vitro using an optimized homogenous assay performed in 384-well plate format. In this assay, the recombinant, full-length HDAC-1, HDAC-2 or HDAC-6 protein (BPS Biosciences) was incubated with Ac-peptide-AMC with concentrations in the Km plot. Reactions were performed in Tris-based assay buffer and were followed for fluorogenic release of 7-amino-4-methylcoumarin from substrate upon deacetylase and trypsin enzymatic activity. Fluorescence measurements were obtained using a multilabel plate reader (Synergy MX with excitation at 355 nm and emission at 460 nm). Data were analyzed on a plate-by-plate basis for the linear range of fluorescence over time. Fit the data in GraphPad Prism V5.0 software to obtain IC50 values using equation (Y=Bottom+(Top-Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*Hill Slope), Y is % inhibition and X is compound concentration).
13252	1	Cytochrome P450 Isoenzyme Inhibition Assay	Experimental operation: Firstly, the test compound (10 mM) was subjected to gradient dilution to prepare a working solution (100×final concentration), and the concentration of the working solution was: 5, 1.5, 0.5, 0.15, 0.05, 0.015 and 0.005 mM, respectively, and the working solution of each positive inhibitor of P450 isoenzyme (CYP1A2 and CYP3A4) and its specific substrate mixture (5 in 1) were prepared; and then the human liver microsomes frozen in the −80° C. refrigerator were thawed on ice, and all the human liver microsomes were dissolved, diluted with PB, and a certain concentration of working solution (0.253 mg/mL) was prepared; 20 μL of substrate mixture was added to the reaction plate (20 μL of PB was added to the blank well), while 158 μL of human liver microsomal working solution was added to the reaction plate, and the reaction plate was placed on ice for later use; at this time, 2 μL of various concentrations of the test compound (N=1) and specific inhibitor (N=2) were added to the corresponding well, and the corresponding organic solvent was added to the non-inhibitor (test compound or positive inhibitor) group as a control group sample (a ratio of DMSO:MeOH in the test compound control sample was 1:1, a ratio of DMSO:MeOH in the positive control sample was 1:9); after pre-incubation in a water bath at 37° C. for 10 min, 20 μL of coenzyme factor (NADPH) solution was added to the reaction plate, and incubated in a water bath at 37° C. for 10 min; and 400 μL of cold acetonitrile solution (internal standard was 200 ng/mL tolbutamide and labetalol) was added to terminate the reaction; the reaction plate was placed on a shaker and shaked for 10 minutes; and then centrifuged at 4,000 rpm for 20 minutes; 200 μL of the supernatant was taken and added to 100 μL of water for sample dilution; finally the plate was sealed, shaked and shaked well, for LC/MS/MS detection.
13253	1	BTK IC50 Enzyme Assay	The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compounds described by embodiments of the present invention were assayed using this protocol and the data from the same is recorded in Table 2 within the column labeled: “Time Dependent BTK Enzyme Assay IC50”. 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, MA, 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM Hepes, pH 7.5, and 10 mM DTT. 5 uL of enzyme buffer and 7.5 uL of ATP/kinKDR peptide substrate mix were added to Matrix (#115304) 384-well, sterile, polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 27 C. Following the incubation period, reactions were stopped by adding 60 uL stop buffer consisting of 100 mM Hepes, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (Caliper Life Sciences, Mountain View, CA), 5% DMSO. Stopped reactions were monitored at −2 PSI, −3000 V/−700 V in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, MA), and the activity was measured by off-chip mobility shift assay measuring the charge/mass difference between substrate and product resulting from peptide phosphorilation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel, Switzerland).
13254	1	Fluorescent Polarization Assay	Fluorescence polarization experiments were read on Biotek Cytation 5 reader with the 470 nm excitation and 520 nm emission filters for fluorescein. The fluorescence polarization was measured in black 96-well plates (Corning, CLS3991) in room temperature. Purity of Mdm2 was controlled at >95%. Reaction buffer was optimized by adding 5 mM DTT and 0.1% zwitterionic detergent CHAPS to reduce effect of nonspecific interactions.The test was performed by combining successive dilution of compounds diluted in dimethyl sulfoxide (DMSO, 5% final concentration) with 75 nM Mdm2 in reaction buffer (PBS, 0.1% CHAPS, 5 mM DTT (dithiothreitol)). After 15 minutes of incubation in room temperature 10 nM FAM-labelled peptide was added. Final reading was performed after 90 minutes of incubation.
13255	1	Biochemical Assay	The JAK2 Z-Lyte biochemical assay was performed according to manufacturer&#39;s instructions (Life Technologies).
13256	1	Elastase inhibition assay	Serially diluted compounds in DMSO were dispensed into a 384-well black opaque plate by Echo dispenser. 0.1 μg/mL human neutrophil elastase (EPC, Catalog# SE563, Owensville, Ms.) or human sputum diluted with assay buffer (100 mM HEPES, 500 mM NaCl, 0.02% Tween 20) was added into the 384-well plate, and was incubated with different compounds at different concentrations for 30 minutes at room temperature. The final concentration of DMSO in the reaction was 0.1%. Elastase substrate MeOSuc-AAPV-AMC (Bachem, Catalog #I-1270, Torrance, CA) of 100 μM final concentration was then added into the reaction system just before enzyme kinetics were read on PheraSTAR plate reader at excitation of 380 nm and emission of 460 nm with a 3-minutes interval for 30 minutes in total.
13257	1	Biological Assay	Human embryonic kidney 293 cells (HEK293) expressing human Nav1.8, human Navβ1 and human TREK1 (HEK293-Nav1.8) were grown at 37° C., 5% CO2 in 150 cm2 flasks. HEK293-Nav1.8 were passaged every 2-3 days into T175 cell culture flasks when confluency reached 80-90%. Pharmacological assessment of the compounds of the invention was performed using HEK293-Nav1.8 in combination with an assay developed on the QPatch 48 HTX electrophysiological system. HEK293-Nav1.8 were prepared on the day of use by removing culture media, washing in DPBS, adding Accutase (2 ml to cover the surface, aspirate 1 ml then 1.5 min at 37° C.) followed by addition of CHO-SFM II to stop the enzyme digestion and in order to obtain a suspension of 3×106 cell/mL. Compound was prepared in an extracellular solution of the following composition: NaCl (145 mM), KCl (4 mM), CaCl2 (2 mM), MgCl2 (2 mM), HEPES (1 mM), Glucose (10 mM), pH 7.4 with NaOH Osmolality 300 mOsM/L. The intracellular solution was used of the following composition: CsF (115 mM), CsCl (20 mM), NaCl (5 mM), EGTA (10 mM), HEPES (10 mM), Sucrose (20 mM), pH 7.2 with CsOH Osmolality 310 mOsm/L. Utilizing the voltage-clamp mode in the QPatch 48 HTX system a half inactivation state voltage protocol (V1/2) was used to determine pharmacological activity of compounds of the invention at Nav1.8 ion channels. A V1/2 protocol was utilized with the following voltage steps: a holding voltage of −100 mV was established followed by a 20 ms voltage step to 0 mV (P1), followed by an inactivating voltage step at −46 mV for 8 seconds, followed by a step to −100 mV for 20 ms, before a 20 ms step to 0 mV (P2) before returning to the holding voltage of −100 mV. This voltage protocol was repeated at a frequency of 0.07 Hz., current magnitude was quantified at the P2 step throughout the recording. Inhibition of the measured current amplitude with the compounds of the invention was analyzed by fitting a 6-8 point dose-response curve allowing determination of the fifty percent inhibition concentration (IC50). 
13258	1	JAK2 LanthaScreen JH2-V617F Binding Assay	JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mutant JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79498). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 JH2-V617F (0.26 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
13258	2	JAK2 LanthaScreen JH1 Binding Assay	JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein in a baculovirus expression system (Carna Biosciences, Product #08-445-20N). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 JH1 (1.5 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM fluorescent JAK2-JH1 tracer and 0.5 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 2 hours at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
13258	3	FLT3 Enzymatic Assay	The kinase assays were carried out at room temperature in assay buffer (HEPES 50 mM, pH 7.0, NaN3 0.02%, BSA 0.01%, Orthovanadate 0.1 mM, DTT 1 mM, MgCl2 10 mM) in a final volume of 10 μL. Testing compounds were prepared by serial dilution in DMSO and transferred to the plate wells by ECHO liquid handler (Labcyte) with 0.5% DMSO in the final assay. The FLT3/TK Substrate-biotin mixture is prepared in the assay buffer with 1000 nM TK Substrate-biotin and SEB reagent 125 nM. 5 μL mixture was added to polystyrene 384-well small volume black plate (Greiner Bio-One). Reactions were initiated by the addition of 5 μL ATP in assay buffer. The final 10 μL kinase reaction consists of 0.011 nM FLT3, 1 mM ATP, 500 nM TK Substrate-biotin and SEB reagent 62.5 nM in assay buffer. Reactions were incubated for 90 min and terminated by addition of 10 μL of detection reagent containing 125 nM Streptavidin-XL665, TK Antibody-Cryptate in HTRF® Detection buffer (HEPES 50 mM, pH 7.0, BSA 0.1%, KF 0.8 M, EDTA 20 mM). The plates were then sealed and centrifuged at 1800 rpm for 2 minutes. After 60 minutes incubation at room temperature, the product activity was determined by measuring the fluorescence at 620 nm and 665 nm on Pherastar microplate reader (BMG Labtech). A ratio is calculated (665/620 nm) for each well. Wells with DMSO only were served as the positive controls and wells containing no ATP were used as negative controls. IC50 determination was performed by fitting the curve of percent control activity versus the log of the compound concentration using the GraphPad Prism 7.0 software.
13258	4	TRKA Enzymatic Assay	The kinase assays were carried out at 24° C. temperature in assay buffer (HEPES 50 mM, pH 7.0, NaN3 0.02%, BSA 0.01%, Orthovanadate 0.1 mM, DTT 1 mM, MgCl2 10 mM) in a final volume of 10 μL. Testing compounds were prepared by serial dilution in DMSO and transferred to the plate wells by ECHO liquid handler (Labcyte) with 0.5% DMSO in the final assay. The TRKA/TK Substrate-biotin mixture is prepared in the assay buffer with 1000 nM TK Substrate-biotin and SEB reagent 125 nM. 5 μL mixture was added to polystyrene 384-well small volume black plate (Greiner Bio-One). Reactions were initiated by the addition of 5 μL ATP in assay buffer. The final 10 μL kinase reaction consisted of 0.58 nM TRKA, 1 mM ATP, 500 nM TK Substrate-biotin and SEB reagent 62.5 nM in assay buffer. Reactions were incubated for 90 min and terminated by addition of 10 μL of detection reagent containing 125 nM Streptavidin-XL665, TK Antibody-Cryptate in HTRF® Detection buffer (HEPES 50 mM, pH 7.0, BSA 0.1%, KF 0.8 M, EDTA 20 mM). After 60 minutes incubation at room temperature, the product activity was determined by measuring the fluorescence at 620 nm and 665 nm on Pherastar microplate reader (BMG Labtech). A ratio was calculated (665/620 nm) for each well. Wells with DMSO only served as the positive controls and wells containing no ATP were used as negative controls. IC50 determination was performed by fitting the curve of percent control activity versus the log of the compound concentration using the Gene data.
13259	1	GLP-1R Activation	GLP-1R activation by a compound of the present disclosure was quantified by measuring cAMP increase in CHO cells stably expressing GLP-1R (MultiSpan product #C1267-1a). The cells were harvested and plated in growth medium (DMEM/F-12 (Cornning product #10-090-CV) supplemented with 10% FBS (HyClone product #SH30071-03), penicillin/streptomycin (Corning product #30-002CI) and 10 μg/ml puromycin (Gibco product #A11138-03)) at 1,000 cells/well in a 384-well plate (Greiner product #781080). The cells were then incubated overnight at 37° C., 5% CO2. The next day, the medium was removed and the cells were washed with DPBS (Corning product #21-031-CM) before adding the assay medium (HBSS, Corning product #21-023-CV) with 20 mM Hepes (Gibco product #15630-080) and 0. 1% BSA (Rockland Immunochemicals product #BSA-1000)). Following the medium change, the cells were incubated for 1 hour at 37° C., 5% CO2. The tested GLP-1 compound was added to the cells in a 10 point dose response followed by a 30 minutes incubation at 37° C., 5% CO2. cAMP concentration increase was then detected using Cisbio&#39;s cAMP Gs Dynamic Kit (product #62AM4PEC) according to the manufacturer&#39;s protocol. The response was plotted against the log of the agonist concentration and fitted to a sigmoidal equation to determine the EC50. 
13260	1	Human ACLY (hACLY) RF/MS Activity Assay	Table 2: Compounds of the disclosure were evaluated for their efficacy in inhibiting hACLY using rapid fire mass spectrometry (RF/MS). The final reaction volume for each compound was 20 μl and consisted of buffer (50 mM Hepes pH 8.0, 10 mM MgCl2, 0.003% BSA, 0.01% Brij35, 50 mM NaCl, 4 mM DTT) and 1 nM hACLY, EV12992, PP6692) using Greiner, 384 well small volume, deep well plates (Cat #784201). A two-fold dilution series with a top concentration of 10 μM was used to record a concentration response curve. Both the substrate (CoA) and product (Acetyl-CoA) were quantified, and given a ratio. The ratio was normalized using both a negative (0% inhibition) and positive (100% inhibition) control to determine the % inhibition. The final DMSO-concentration was 1% (v/v). Compounds were pre-incubated for 30 min with the buffered enzyme solution at RT (20° C.), and substrate solution was added (final concentrations: 15 μM Coenzyme A, 50 μM ATP and 50 μM citrate) to initiate the enzyme reaction. The enzyme reaction was incubated for additional 30 min at RT. The reaction was quenched upon addition of 40 μl of 5% Formic acid in H2O and centrifuged (4350 rpm at 20° C. for 10 min).
13260	2	hACLY ADP-Glo Activity Assay	Table 3: Test compounds were 3-fold serially diluted in DMSO over 11-point concentration range and dispensed onto a 384-well plate. Recombinant human ACLY full length protein was purified. Concentrations of ACLY protein, sodium citrate, coenzyme A, and ATP in the reaction were optimized for standardized homogenous enzyme assay using ADP-Glo™ Kinase (Promega Inc.). The assay measured ADP formed from the enzymatic reaction.The reaction buffer consisted of the assay buffer (50 mM HEPES pH 8.0, 10 mM MgCl2, 4 mM 1,4-Dithiothreitol, 0.01% Brij® 35).ACLY protein (0.5 nM) was added to the prepared reaction buffer, and the mixture was dispensed into the assay plate and incubated for 30 minutes at room temperature. Next, 15 μM sodium citrate, 1 μM coenzyme A, and 80 μM ATP were added into the assay plate and incubated for 60 minutes at room temperature. The final reaction volume for each well was 5 μL.5 μL of ADP-Glo™ reagent was added, and the mixture was incubated for 40 minutes at room temperature. 10 μl ADP-Glo™ detection reagent was added, and the mixture was incubated for 30 minutes at room temperature. Luminescence was determined using EnVision microplate reader with ultra-luminescence module (Perkin Elmer Inc). Concentration-response curve-fitting and IC50 determination was performed using Xlfit Software (version 5.5.0) with a four-parameter logistic regression fit model. 
13261	1	In Vitro USP1 Kinase Inhibitory Activity	Experimental Methods1) Preparation of 1× assay buffer: 1× assay buffer (modified Tris buffer) was prepared;2) Compound dilution: The compound was transferred to the assay plate by Echo. The final concentration of DMSO is 1%;3) Preparation of enzyme solution: Recombinant human His6-USP1/His6-UAF1 complex protein was added to 1× assay buffer to obtain an enzyme solution;4) Preparation of substrate solution: Ubiquitin rhodamine 110 protein CF (Ub-Rho) was added to 1× assay buffer to obtain a substrate solution;5) 10 μL enzyme solution was transferred to the assay plate, and 10 μL 1× assay buffer was added to the control well;6) The plate was incubated at room temperature for 1 hour;7) 10 μL substrate solution was added to each well to start the reaction, and the plate was centrifuged for 30 seconds, and shaked for 30 seconds;8) The plate was read with Envision after 30 minutes, and the parameters were excitation light 480 nm and emission light 540 nm;9) The data was collected and summarized;10) Curve fitting: The data was fitted in Excel, Inhibition rate formula: Percent inhibition rate=(maximum value−signal value)/(maximum value−minimum value)×100; the data was fitted in XL-Fit,Half inhibition concentration formula: Percent inhibition rate=minimum concentration+(maximum concentration−minimum concentration)/(1+(half inhibition concentration/compound concentration)slope);Half inhibition concentration is referred to as IC50 hereinafter.
13262	1	TBD	TBD
13262	2	TBD	TBD
13263	1	Human C3bBb Enzyme Assay	Compounds disclosed herein were evaluated for their potency to inhibit human C3bBb in a biochemical assay. To generate active C3bBb complex in vitro, purified human C3b (Complement Technology, A114), CFB (Complement Technology, A135) and CFD (Complement Technology, A136) were mixed in a 1:1:1 ratio to a final concentration of 1 μM each in the C3bBb assay buffer (PBS pH 7.4, 100 μM NiCl2, 0.05% (w/v) CHAPS). The reaction mix was incubated at room temperature for 30 minutes on a rotating platform. After the incubation, a sample was taken to confirm the cleavage of CFB by Western blot using a polyclonal anti-human factor B antibody (Quidel, A311), and the rest of the reaction was immediately aliquoted on ice and stored at −80° C. On the day of the enzyme assay, a reaction mixture containing 3 nM C3bBb complex and 1 μM purified human C3 (Complement Technology, A113) was prepared in the C3bBb assay buffer. Compounds were serial diluted 3-fold in 100% DMSO for a 10-point dose-response curve. A 0.5 μL aliquot of diluted compound solution was transferred to a conical bottom 96-well plate, before 49.5 μL of the reaction mix was added to each well to initiate the reaction. The plate was incubated for 1 hour at room temperature. The reaction was terminated by adding 0.5 μL of Protease Inhibitor Cocktail (Thermo Fisher, 75446) to each well. The generation of C3a from C3 by the C3bBb complex was measured using the MicroVue C3a Plus EIA ELISA kit (Quidel, A031). The concentration of C3a from each well was calculated using a standard curve. Percent inhibition values were generated using the baseline (C3 only) and the maximum control (DMSO instead of compound), and IC50 of each compound was calculated using 4-parameter logistic regression. 
13263	2	Human C3bBb (1nM)  Enzyme Assay	Reaction mixture containing 1 nM C3bBb complex.
13264	1	Determination of IC50 Values of Kinase Inhibitors	Each plate contained a positive control (1 μM Comp. A for ROCK2 and 1 μM RKI-1447 for ROCK1); a vehicle control (1% DMSO); a blank control (kinase reaction buffer (1×)); a low control (substrate and ATP, without kinase); and an autophosphorylation control (kinase and ATP, without substrate). Test and reference compounds were diluted in 100% DMSO to obtain 10 mM stock solutions. Each compound was tested in 8-serial dilutions in duplicate. The final concentration of DMSO in the reaction was 1% (up to 50 nL). 5 μl/well Kinase Reaction Buffer (1×) was dispensed to blank control wells. 2 μl/well Kinase Reaction Buffer (1×) was dispensed to control without protein (low control) and without substrate (autophosphorylation) wells. The plate was sealed with adhesive film followed by a short spin (1 min, 1000 rpm). 2 μl/well kinase (2.5×) solution was dispensed into relevant wells of the assay plate. The plate was sealed with adhesive film followed by a short spin (1 min, 1000 rpm). 2 μl/well S6K substrate (2.5×) solution was dispensed into relevant wells of the assay plate. The plate was sealed with adhesive film followed by a short spin (1 min, 1000 rpm). 1 μl/well ATP (5×) solution was dispensed into relevant wells of the assay plate. The final volume of reaction was 15 μl. The plate was sealed with adhesive film followed by a short spin (1 min, 1000 rpm). The plate was incubated at 25° C. for 120 minutes with 450 rpm shaking speed. After the incubation was completed the kinase reaction was terminated, residual ATP was depleted from the kinase reaction and ADP was converted to ATP, that is measured in luciferase/luciferin reaction. 5 μl of ADP-Glo™ Reagent was dispensed to stop the kinase reaction and deplete the unconsumed ATP. The plate was sealed with adhesive film followed by a short spin (1 min, 1000 rpm), and was incubated at 25° C. for 40 minutes with 450 rpm shaking speed.
13265	1	Surface Plasmon Resonance Experiment	Experimental method: Surface plasmon resonance test was carried out on BIACORE T200 instrument (GE Company). Fresh purified grade Src kinase SH3 domain protein (concentration 2 mg/ml) was diluted to 0.1 mg/ml with 10 mM CH3COONa (pH 4.2) and then SH3 protein was coupled to the CM5 chip by standard amino coupling methods. The compounds of the invention were diluted in a gradient using a buffer solution (20 mM Tris-HCl, PH 8.0, 100 mM NaCl) for 60 seconds and dissociated for 120 seconds at a flow rate of 20 μl/s, respectively. The changes in response values over time were recorded and analyzed by the BIA Evaluation Software (GE Healthcare) program to obtain the dissociation constants KD for the different compounds with SH3 protein.
13266	1	CDK4 and CDK6 Caliper Mobility Shift Assays	A Caliper Mobility Shift assay was used to determine the inhibitory activities of a compound against CDK4/cyclin D1 and CDK6/cyclin D1 in their respective kinase buffers (CDK4: 20 mM HEPES, pH 7.5, and 0.01% Triton X-100; CDK6: 50 mM HEPES, pH 7.5, and 0.0015% BRIJ-35). The CDK4/cyclin D1 and CDK6/cyclin D1 were obtained from PROQINASE and CARNA, respectively. A FAM-labeled peptide was obtained from GL. The compound at predetermined concentrations was pre-incubated with CDK4/cyclin D1 or CDK6/cyclin D1 in a 384-well microplate at room temperature for 10 min. The FAM-labeled peptide and ATP were subsequently added to initiate the kinase reactions. The final enzyme concentrations were 15 nM for CDK4 and 7.5 nM for CDK6. The final ATP concentrations were 672 mM for CDK4 and 230 mM for CDK6. The microplate was allowed to incubate at 28° C. The kinase reactions were stopped by adding a stop buffer (100 mM HEPES, pH 7.5, 0.012% BRIJ-35, 0.2% Coating Reagent 3 (Caliper Life Sciences), and 50 M EDTA). Conversion data were recorded and utilized to calculate the percent inhibition values for each compound and an IC50 value was then determined. 
13267	1	FP Assay	FP experiments were carried out at room temperature using no-binding black 384-well microplates. Recombinant full length PARP1 and PARP2 proteins produced in house were diluted to 20 nM and 60 nM, respectively, with assay buffer (50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, and 150 mM NaCl) and incubated for 4 h with an equivalent volume of the 8 nM fluorescent probe diluted with assay buffer. Fluorescence anisotropy of the probe when bound to the proteins was measured in the presence of test compounds or solvent control and the effect on anisotropy determined. Polarization values were read using an Envision plate reader using excitation and emission wavelengths of 590 and 630 nm, respectively. All FP values are expressed as mP units. 
13268	1	JAK1 Inhibition Assay	Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) is purchased from Carna Biosciences. 10 ng of JAK1 is incubated with 12.5 μg polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (15 mM Tris-HCl pH 7.5, 1 mM DTT, 0.01% Tween-20, 10 mM MgCl2, 2 μM non-radioactive ATP, 0.25 Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 μL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 μL, in a polypropylene 96-well plate (Greiner, V-bottom). After 45 min at 30° C., reactions are stopped by adding of 25 μL/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 μL per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 μL/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 μM staurosporine) from cpm obtained in the presence of vehicle.
13268	2	JAK2 Inhibition Assay	Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) is purchased from Invitrogen. 0.025 mU of JAK2 is incubated with 2.5 g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (5 mM MOPS pH 7.5, 9 mM MgAc, 0.3 mM EDTA, 0.06% Brij and 0.6 mM DTT, 1 μM non-radioactive ATP, 0.25 Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 μL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 μL, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions are stopped by adding of 25 μL/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 μL per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 μL/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 μM staurosporine) from cpm obtained in the presence of vehicle.
13268	3	JAK3 Inhibition Assay	Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) is purchased from Invitrogen. 0.025 mU of JAK3 is incubated with 2.5 g polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Tris pH 7.5, 0.5 mM EGTA, 0.5 mM Na3VO4, 5 mM b-glycerolphosphate, 0.01% Triton X-100, 1 μM non-radioactive ATP, 0.25 Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 μL containing test compound or vehicle (DMSO, 10% final concentration), in a total volume of 25 μL, in a polypropylene 96-well plate (Greiner, V-bottom). After 105 min at 30° C., reactions are stopped by adding of 25 μL/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 μL per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 μL/well of Microscint-20 is added, the top of the plates is sealed and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 μM staurosporine) from cpm obtained in the presence of vehicle.
13268	4	TYK2 Inhibition Assay	Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) is purchased from Carna biosciences. 5 ng of TYK2 is incubated with 12.5 jag polyGT substrate (Sigma catalog number P0275) in kinase reaction buffer (25 mM Hepes pH 7.5, 100 mM NaCl, 0.2 mM Na3VO4, 0.1% NP-40, 0.1 μM non-radioactive ATP, 0.125 Ci 33P-gamma-ATP (GE Healthcare, catalog number AH9968) final concentrations) with or without 5 μL containing test compound or vehicle (DMSO, 1% final concentration), in a total volume of 25 μL, in a polypropylene 96-well plate (Greiner, V-bottom). After 90 min at 30° C., reactions are stopped by adding 25 μL/well of 150 mM phosphoric acid. All of the terminated kinase reaction is transferred to prewashed (75 mM phosphoric acid) 96 well filter plates (Perkin Elmer catalog number 6005177) using a cell harvester (Perkin Elmer). Plates are washed 6 times with 300 μL per well of a 75 mM phosphoric acid solution and the bottom of the plates is sealed. 40 μL/well of Microscint-20 is added, the top of the plates is scaled and readout is performed using the Topcount (Perkin Elmer). Kinase activity is calculated by subtracting counts per minute (cpm) obtained in the presence of a positive control inhibitor (10 μM staurosporine) from cpm obtained in the presence of vehicle.
13269	1	PLpro Inhibitory Activity Assay	1. Reaction buffer: 20 mM HEPEs, pH 7.5, 100 mM NaCl, 1 mM TCEP2. Preparation of mother liquor:(1) 20 μM Ub-AMC (Ub-AMC dry powder was directly dissolved with the reaction buffer and used after centrifugation for removing precipitates);(2) 400 nM PLpro (after molecular sieve purification, frozen at −80° C., thawed on ice before use, diluted with the reaction buffer);(3) 40 μM test compound (the test compound dry powder was dissolved with DMSO to 40 mM, diluted with 50% DMSO to 400 μM, and diluted with the reaction buffer to 40 μM);3. For the reaction system of a single point inhibition test: 10 μM Ub-AMC, 100 nM PLpro, 1 μM test compound, total volume 20 μL, reacted in a 384-well plate;5 μL PLpro mother liquor+5 μL test compound mother liquor were added to a 384-well plate and incubated at 4° C. for 30 min;10 μL Ub-AMC mother liquor was added to the 384-well plate, and after the mixture was reacted at 37° C. for 30 min, the fluorescence intensity of AMC was measured (excitation: 360 nm; emission: 460 nm);4. Control group (+Control): DMSO at corresponding dilution factors replaced the test compound; blank group (Blank): Reaction buffer replaced PLpro;5. Data processing: The Blank value was subtracted from the measured value, and normalization was performed on the basis of the DMSO value;6. IC50 determination:Test compound concentration gradient (nM): 10000, 5000, 1000, 500, 250, 125, 62.5, 31.25, 15.625, 10, 5, 2, 1, 0.5, 0.1, and 0.01The fluorescence value was measured after 15 min of reaction (the enzyme reaction rate was in a linear interval around 15 min and was in a non-linear interval at 30 min);7. Data fitting: The data was normalized and processed using Sigmaplot (fitting equation: Logistic, 3 Parameter).
13270	1	FP Competitive Inhibition Assay	Experiments were performed in 96-well Microfluor 2 black plates on a Synergy 2 plate reader (Biotek). The polarization was measured at room temperature with an excitation wavelength at 485 nm and an emission wavelength at 535 nm. The FP experiments were performed in an assay buffer of 25 mM Hepes (pH 7.4), 100 mM NaCl, 0.01% Triton X-100, and 100 μg/ml γ-globulin. The final reaction volume was set to 100 μL. For the β-catenin/Tcf assay, 10 nM human β-catenin (residues 138-781) was incubated with 2.5 nM C-terminally fluorescein-labeled human Tcf4 (residues 7-51) for 30 min at 4° C., and then different concentrations of the compound in assay buffer were added. The negative control (equivalent to 0% inhibition) refers to 2.5 nM Tcf4 fluorescence tracer and 10 nM β-catenin in assay buffer without the tested compound. The positive control (equivalent to 100% inhibition) refers to only 2.5 nM Tcf4 fluorescence tracer in assay buffer. For the β-catenin/cadherin assay, 150 nM human i-catenin (residues 138-781) was incubated with 5 nM C-terminally fluorescent-labeled human E-cadherin (residues 819-873) in assay buffer for 30 min at 4° C. The negative control refers to 5 nM E-cadherin fluorescence tracer and 150 nM β-catenin in assay buffer with no inhibitor presenting. The positive control refers to 5 nM E-cadherin fluorescence tracer in assay buffer. For the β-catenin/APC-R3 assay, 2000 nM human β-catenin (residues 138-781) was incubated with 5 nM of C-terminally fluorescent-labeled human APC-R3 (residues 1477-1519) in assay buffer for 30 min at 4° C. The negative control refers to 5 nM APC-R3 fluorescence tracer and 2,000 nM β-catenin in assay buffer without the tested compound. The positive control refers to 5 nM APC-R3 fluorescence tracer in assay buffer. Each assay plate was covered black and gently mixed on an orbital shaker at 4° C. for 2.5 h to reach equilibrium before the polarization values were read. The background of the tested inhibitors was corrected by subtracting the raw intensity values of the sample background well (all components except probe) from the raw intensity values of the corresponding test wells (all components).
13262	3	TBD	TBD
13271	1	TYK2 (h) Enzyme Reaction	TYK2 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration as required) together. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to stop the reaction. Then 10 μL of the reactant point was placed on the P30 filter pad, washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and counted by scintillation.
13271	2	JAK1 (h) Enzyme Reaction	JAK1 (h) was incubated with 20 mm Tris/HCl pH7.5, 0.2 mM EDTA, 500 μM MGEEPLYWSFPAKKK, 10 mm magnesium acetate and [γ-33P]-ATP (activity and concentration as required) together. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to stop the reaction. Then 10 μL of the reactant was placed on a P30 filter pad, washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and counted by scintillation.
13271	3	JAK2 (h) Enzyme Reaction	JAK2 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration as required) together. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to stop the reaction. Then add 10 μL of the reactant point was placed on the P30 filter pad, washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and counted by scintillation.
13271	4	JAK3 (h) Enzyme Reaction	JAK3 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 μM GGEEEEYFELVKKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration as required) together. Mg/ATP mixture was added to start the reaction. After incubation at room temperature for 40 minutes, 0.5% phosphoric acid was added to stop the reaction. Then 10 μL of the reactant point was placed on the P30 filter pad, washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and counted by scintillation.
13272	1	Surface Plasmon Spectroscopy	Binding of affinity of SHIM compounds has been determined using surface plasmon spectroscopy on a Biacore T200 (GE Healthcare). Biotinylated PCSK9 (ACRO Biosystems) at 1 μg/mL has been captured on a chip on which streptavidin has been immobilized with amine-directed chemistry according to the manufacturer&#39;s instructions (6000 RU) to a density of 6000 RU in PBS-P (potassium buffered saline, 0.005% Tween 20, pH7.4) buffer with 1% DMSO. SHIMs at 10, 3.3, 1.1, 0.33 and 0.11 uM were injected at 30 uL/min. The data were fitted to 1:1 Langmuir binding model using Bioeval 4.3 software (GE Healthcare) to obtain the KD values. Double reference method of analysis was used with the reference channel containing a reference biotinylated protein captured at 6000 RU. 
13273	1	NAMPT Assay	To test the inhibition activity (IC50) of the compounds of the disclosure against the enzymatic activity of NAMPT, the compounds were dissolved in 100% DMSO to a final concentration of 3 mM. The compounds were then diluted 20 fold in an intermediate dilution to 5% DMSO and water. Finally 10 μL of each compound was added to the assay plate, in duplicate, with highest concentration at 30 μM and the lowest at 0.001 μM in a final volume of 50 μL and 1% DMSO concentration. Each assay also tested, in parallel, two reference compounds, FK866 and GMX1778, with highest concentration at 10 μM and lowest at 0.0003 μM. 200 ng of human NAMPT enzyme (His-hNAMPT obtained from E. coli expression system) diluted in TEST (tris-buffered saline-Polysorbate 20) 1× was added to each well in a volume of 10 μL and the compounds were incubated with the enzyme at room temperature for 20 minutes. After the incubation, 30 μL of master mixture were added to each well. The master mixture contained: 50 mM Tris-HCl, pH 8.0, 12.5 mM MgCl2, 20 μM nicotinamide, 40 μM phosphoribosyl pyrophosphate (PRPP), 20 μM adenosine triphosphate (ATP), 30 μg/mL of alcohol dehydrogenase, 10 μg/mL of NMNAT, 1.5% alcohol, 1 mM dithiothreitol (DTT), 0.02% bovine serum albumin (BSA), 0.01% Tween 20. The reaction was performed at 30° C. for 60 minutes. Fluorescence intensity was measured at an excitation of 340 nm and an emission of 460 nm using a Tecan Infinite M1000 microplate reader. The fluorescence values indicated increase of NADH product. Enzyme activity assay was performed in duplicate at each concentration. The fluorescence data was analyzed and compared. In the absence of the compound, the intensity (Ce) in each data set was defined as 100% activity. In the absence of enzyme, the intensity (C0) in each data set was defined as 0% activity. 
9974	1	ATP Caliper Assay	Compounds were serially diluted in DMSO then further diluted in 1× kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10 uL of Tyk2 enzyme mix was added into wells, followed by 10 uL of substrate mix to start reaction. Reaction was incubated at 28° C. for 25 min and then added 25 uL stop buffer. The reaction mixture was read by a Caliper mass spectrometer. Final concentrations for assay conditions were: 25 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% Triton, 0.5 mM EGTA, 2 mM DTT, 10 mM MgCl2, TYK2 4 nM, ATP concentration 1000 uM, and P30 3 uM.
9975	1	Enzyme Activity	Primary reaction buffer solution: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOTreatment of the Compound:The tested compounds were formulated into a 10 mM stock solution in DMSO, diluted in 3-fold gradient for a total of 10 concentrations, and placed in a 384-well plate (Cyclic Olefin Copolymer LDV Echo ).Kinase Name: ASK1/MAP3K5 (Invitrogen, Carlsbad, Calif.)Type: Recombinant Human Full Length Protein, GST-taggedFinal reaction concentration of the enzyme: 20 nMSubstrate: Myelin basic protein, MBP (Active Motif, Carlsbad, Calif.)Final reaction concentration of the substrate: 20 &#956;MExperimental Procedures:1. The substrate was dissolved in a freshly prepared primary reaction buffer solution,2. The desired coenzyme factor was added to the above substrate solution,3. The kinase was added to the substrate solution and mix gently,4. The solution tested compound in DMSO was added to the kinase reaction solution and incubated at room temperature for 20 minutes.5. The reaction was initiated by adding 33P-ATP (specific activity 10 &#956;Ci/&#956;L) to the reaction solution.6. Incubated at room temperature for 2 hours.7. A small portion of the reactants were placed onto the P-81 ion exchange filter paper.8. The filter paper was washed three times with 0.75% phosphate buffer to wash away unbound phosphate, and then dried.9. The radioactivity remaining on the filter paper was determined,10. The data for the kinase activity was expressed as the ratio of the kinase activity remaining in the test sample to the kinase activity in the vehicle (DMSO).
9976	1	Inhibitory Activity Assay	In a total volume of 0.15 mL in low-binding 96-well plates (Corning #3605), twelve concentrations of test compound were competed against 10 nM 3H-dihydrotetrabenezine (American Radiolabeled Chemicals, Kd 2.6 nM) on rat forebrain homogenate (100 &#956;g membrane protein per well) or human platelet homogenate (15 &#956;g membrane protein per well) in VMAT2 binding buffer (Dulbecco&#39;s phosphate buffered saline, 1 mM EDTA, pH 7.4). Following incubation at 25° C. for 90 minutes, bound radioligand was collected by rapid filtration onto GF/B glass fiber filters using a Unifilter-96 Harvester (PerkinElmer). Filter plates were pre-treated with 0.1% polyethylenimine and allowed to dry overnight, and following harvesting the filter plates were washed with 800 &#956;l VMAT2 binding buffer. Bound radioligand was quantified by scintillation counting using a Topcount NXT (PerkinElmer).
9977	1	Biochemical Activity Assay	KIT, KIT mutant, and PDGFR&#945; mutant kinase profiling was performed with recombinant enzymes including wild-type KIT, KIT V560G, KIT V559D/T670I, V559D/V654A, and PDGFR&#945; D842V. Kinase/substrate pairs were prepared in reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). Compounds were dissolved at 10 mM in 100% DMSO, serial diluted and added to the kinase/substrate mix in final concentrations from 10 uM to 0.5 pM. Compounds were incubated with the recombinant enzymes and substrates at room temperature for 20 minutes with their respective Km for ATP. 33P-ATP (10 mCi/mL) was added to initiate the reaction. 
9978	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant Btk (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated. This value is presented as the IC50.
9979	1	Kinase Assay	Buffer formulation: a buffer consisted of 50 mM HEPES (pH 7.5), 0.01% BSA, 5 mM MgCl2, 0.1 mM Orthovanadate. After the buffer was formulated, an enzyme and a substrate were mixed with pre-diluted compounds of varying concentrations, and placed at room temperature for 15 minutes. The reaction was initiated by adding ATP and incubated at room temperature for 60 minutes (wherein negative and positive controls were set up). The 10 &#956;L reaction system consisted of a 2.5 &#956;L compound, a 5 &#956;L mixture of enzyme and substrate, and 2.5 &#956;L ATP. After the reaction was complete, antibodies were added to test, the detection was performed with Evnvision after incubation at room temperature for 60 minutes, and data were collected. Data analysis and simulation were performed using XLfit5 software.
9980	1	Enzyme Kinetic Assay	The inhibitors confer the non-competitive inhibitory mechanism, as shown by nuclear magnetic resonance (NMR) and quantitative enzyme kinetic analysis.
9981	1	Biochemical Assay	A Z&#8242;-Lyte assay based on a fluorescence resonance energy transfer (FRET) readout was developed for measuring IRAK4-dependent phosphorylation of a FRET-peptide substrate as described by Thermo Fisher Scientific (Grand Island, N.Y.). At a starting concentration of 1.5 mM, the identified compounds were serially diluted with 100% dimethyl sulfoxide (DMSO) in 3-fold increments, into Greiner bio-one 96-well plates (cat. #: 650201, Greiner bio-one, Monroe, N.C.). Compounds were then transferred to intermediate Greiner bio-one 96-well plates and diluted 10-fold with Kinase assay buffer (25 mM HEPES, pH 7.5, 10 mM MgCl2, 10 mM MnCl2, 1 mM EGTA, and 0.01% Brij-35, 2 mM DTT). Three &#956;L of the serially diluted compounds were then transferred in duplicate to low-volume 384-well black proxiplates (cat. #: 6008269; Perkin Elmer, Akron, Ohio), to give duplicate twelve-point concentration curves. Six &#956;l of a 2.5× solution of IRAK4 enzyme (cat #: 40064, BPS Bioscience, San Diego, Calif.) in kinase buffer was added to each well, followed by a 10 minutes pre-incubation step. Reactions were initiated by adding 6 &#956;l of a 2.5× substrate mix of ATP and Z&#8242;-Lyte Ser/Thr 7 peptide (cat. #: PV3180, Thermo Fisher Scientific, Grand Island, N.Y.) and proceeded at room temperature for 1 hour. The final concentration of key reagents in the 15 uL kinase reactions were 2 &#956;M substrate, 2 nM enzyme, and 1 mM ATP, with dose responses starting at 30 &#956;M compound. At the end of the kinase reactions, 5 &#956;l of developing solution (as instructed in for cat. #: PV3180, Thermo Fisher Scientific, Grand Island, N.Y.) was added to each well and incubated at room temperature for 1 hour. All wells were read on an Envision 2105 Multilabel fluorescence plate reader (Perkin Elmer, Waltham, Mass.) at 400 nm excitation and 460 nm/530 nm emission. Plus and minus 100% inhibition controls were used to calculate percent inhibition and IC50 curves were generated using Graphpad Prism (La Jolla, Calif.).
9982	1	In Vitro Assay	For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 &#956;L. To 1 &#956;L of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical, dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 &#956;L of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.
9983	1	Biochemical Assay	The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 &#956;g of DNA-PK/protein complex and 100 ng of biotinylated substrate, such as, for example, PESQEAFADLWKK-biotin-NH2 ( biotin-DNA-PK peptide ), were incubated for 90 min at room temperature in a total volume of 36.5 &#956;l (34.25 mM HEPES/KOH; 7.85 mM Tris HCl; 68.5 mM KCl; 5 &#956;M ATP; 6.85 mM MgCl2; 0.5 mM EDTA; 0.14 mM EGTA; 0.69 mM DTT; pH 7.4) with 500 ng of DNA from calf thymus, 0.1 &#956;Ci of 33P-ATP and 1.8% of DMSO per well with and without the test compound. The reaction was stopped using 50 &#956;l/well of 200 mM EDTA. After incubation for a further 30 min at room temperature, the liquid was removed. Each well was washed three times with 100 &#956;l of 0.9% saline solution. A nonspecific reaction (blank value) was determined using 10 &#956;M of an innate kinase inhibitor.
9984	1	Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader.
9985	1	Inhibition Assay	SRPK1 Inhibitory Activities of the Compounds.
13274	1	In Vitro Testing of mGluR4 Potency	The cAMP standard is prepared by diluting the cAMP stock solution with HBSS/Hepes buffer: 5 μl/well of the cAMP dilutions (in HBSS/Hepes buffer containing 1 mM IBMX and 0.2% BSA-final concentration: 0.5 mM IBMX and 0.1% BSA) are added to 10 ul/well HBSS/Hepes buffer plus 5 ul/well 4% DMSO in HBSS/Hepes containing 0.2% BSA (final DMSO concentration: 1%-like in the wells containing compounds) in the wells of the assay plate. The final cAMP concentrations in the assay plate are: 0, 0.17, 0.69, 2.78, 11.1, 44.5, 178, and 712 nM (two wells/cAMP concentration).Each assay microtiter plate contained also wells with vehicle controls instead of compound as controls for L-Glutamic acid induced signal (negative control; 100% CTL; 10 uM L-Glutamic acid+1 uM forskolin+0.5 mM IBMX+1% DMSO) and wells with vehicle controls without L-Glutamic acid as controls for non-specific changes in signal (positive control; 0% CTL; 0 uM L-Glutamic acid+1 uM forskolin+0.5 mM IBMX+1% DMSO).
9987	1	Enzymatic Assay	HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purification. Assays were performed with buffer containing 20 mM HEPES, pH 8.0 [Boston BioProducts, catalog #BB-104, 1M stock], 137 mM NaCl [Sigma, catalog #S5150, 5M stock], 2.7 mM KCl [BioChemika, catalog #87526, 4M stock], 1 mM MgCl2 [Fluka, catalog #63020, 1M stock], and 0.05% BSA (Fraction V) [Invitrogen, catalog #15260, 7.5% stock]. In addition to the above buffer ingredients, TCEP [CalBiochem, catalog #580561, 500 mM stock] was added at a final concentration of 0.5 mM to the buffer for the HDAC6 assays. HDAC1, 2, 3, and 6 enzymes were run at the final concentrations of 0.3 nM, 1.5 nM, 0.3 nM, and 1.333 nM, respectively. Fluor-de-Lys substrate [BioMol Research Laboratories, catalog #KI-104], used to evaluate enzyme activity, was added at the final concentrations of 20 uM, 40 uM, 20 uM, and 2.5 uM for HDACs 1, 2, 3, and 6. To enable detection of the signal, Developer [BioMol Research Laboratories, catalog #KI-105] was added at a 1:250 dilution to the stop solution, which also included 10 uM SAHA [Sigma, catalog #SML0061] to ensure complete termination of the reaction.
9987	2	Enzymatic Assay	HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HEPES, pH 8.0 [Boston BioProducts, catalog #BB-104, 1M stock], 137 mM NaCl [Sigma, catalog #S5150, 5M stock], 2.7 mM KCl [BioChemika, catalog #87526, 4M stock], 1 mM MgCl2 [Fluka, catalog #63020, 1M stock], and 0.05% BSA (Fraction V) [Invitrogen, catalog #15260, 7.5% stock]. The HDAC5 enzyme was run at the final concentration of 0.447 nM. Boc-Lys(TFA)-AMC substrate [Bachem, catalog #1-1985.0050], used to evaluate enzyme activity, was added at the final concentration of 60 uM. To enable detection of the signal, Developer II [BioMol Research Laboratories, catalog #KI-176] was added at a 1:200 dilution to the stop solution, which also included 20 uM trichostatin A (TSA) [Sigma, catalog #T8552] to ensure complete termination of the reaction.
9987	3	Enzymatic Assay	HDAC8 reagents: HDAC8 was purchased from Enzo Life Sciences [catalog #BML-SE145]. Assays were performed with buffer containing 20 mM HEPES, pH 8.0 [Boston BioProducts, catalog #BB-104, 1M stock], 100 mM NaCl [Sigma, catalog #S5150, 5M stock], 20 mM KCl [BioChemika, catalog #87526, 4M stock], 1 mM MgCl2 [Fluka, catalog #63020, 1M stock], 0.05% BSA (Fraction V) [Invitrogen, catalog #15260, 7.5% stock], and 0.1% n-Octyl-&#946;-D-glucopyranoside (N-OG) [Anatrace, catalog #O311, 10% stock]. The HDAC8 enzyme was run at the final concentration of 1.333 nM. Fluor-de-Lys substrate [BioMol Research Laboratories, catalog #KI-178], used to evaluate enzyme activity, was added at the final concentration of 200 uM. To enable detection of the signal, Developer II [BioMol Research Laboratories, catalog #KI-176] was added at a 1:200 dilution to the stop solution, which also included 20 uM SAHA [Sigma, catalog #SML0061] to ensure complete termination of the reaction.
9988	1	HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays are conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) is incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/ml BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions are stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP 1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals are read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). 
9989	1	Enzymatic Inhibition Assay	Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-Pi-FELVKK-CO2), were purchased from AnaSpec (Fremont, Calif., USA). JAK1-JH1JH2 (574-1154 with a His-GST Tag and a C-terminal tev (ENLYFQ-G) cleavage site), JAK3-JH1JH2 (512-1124 with a GST Tag and a C-terminal tev (ENLYFQ-G) cleavage site), and Tyk2-JH1JH2 (8H_tev_580-1182-C936A-C1142A with a C-terminal tev (ENLYFQ-G) cleavage site) were purified internally. JAK2-JH1JH2 (532-1132 with a GST tag and C-terminal tev (ENLYFQ-G) cleavage site), was purchased from Invitrogen. LC/MS grade water and acetonitrile (ACN), were purchased from HoneyWell, Burdick & Jackson (Muskegon, Mich., USA). Dimethylsulfoxide 99.8% (DMSO) and trifluoroacetic acid 99.5% (TFA) were purchased from EMD Chemical (Gibbstown, N.J., USA). Adenosine triphosphate (ATP), 4-morpholinepropanesulfonic acid (MOPS), magnesium chloride (MgCl2), ethylenediaminetetraacetic acid (EDTA), dithiothreitol (DTT), formic acid >95% (FA) and Tween-20 were purchased from Sigma (St Louis, Mo., USA). 384-well polypropylene plates, Cat #781280 were purchased from Greiner (Monroe, N.C.), RapidFire&#153; cartridge A C4 Column (Agilent Technologies, Santa Clara, Calif.).
9990	1	Inhibition Assay	Evaluation of a human P2X7 receptor inhibitory activity Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBank accession number NM_002562.5 including T606C and G952A SNP)) was used. The cells were seeded in a 384-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (10% fetal bovine serum, 25 mM HEPES, 1% penicillin and streptomycin in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. After replacing with 20 &#956;L of the HBSS buffer (20 mM HEPES, 55.6 mM D-glucose, 1× HBSS(&#8722;), pH7.4-7.5), 15 &#956;L of 17.3 &#956;M Yo-Pro solution in the HBSS buffer was added. The plate was placed in high-throughput cellular screening system FLIPR TETRA (Molecullar Devices, LLC.) and 15 &#956;L of 130 &#956;M BzATP solution in the HBSS buffer was added. Measurement of fluorescence intensity by FLIPR TETRA was started. After eight minutes, 15 &#956;L of DMSO solutions containing different concentrations of the compound of the present invention as prepared by dilution with the HBSS buffer were dispensed to each well through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 20 minutes. The maximum fluorescence intensity without the compound of the present invention is calculated as 0% inhibition and the maximum fluorescence intensity when the reference compound was added is calculated as 100% inhibition.
9991	1	Binding Affinity Assay	1. Preparation of the reagents1) Detection buffer: 50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 1 mM EDTA, 1 &#956;g/mL Adenosine Deaminase, and stored at 4° C. for use.2) Washing solution: 50 mM Tris-HCl pH 7.4, 154 mM NaCl, and stored at 4° C. for use.3) 0.5% PEI solution: 0.5 g PEI is dissolved in 100 mL ddH2O, and stored at 4° C. for use.2. Operation procedure1) Addition of compound: 250 nL of the compound was added to the Opti-plate with Echo 550, and sealed by sealing film.2) Membrane dilution: 1 mL assay buffer was added into 20 U A2A membrane, 0.75 uCi [3H]-CGS 21680 (final 25 nM), and 50 uL of which was added into the Opti-plate.3) Incubation: the above mixture was incubated for 90 minutes at 25° C.4) Preparation of the pre-filter plate: 100 uL of 0.5% PEI solution was added into UNIFILTER-96 GF/B filter plate, and soaked for 40 minutes at 4° C.5) Filtration:a. Cell Harvester transferred 500 uL of cleaning solution/empty cleaning UNIFILTER-96 GF/B filter plate 2 times.b. The mixed system in the Opti-plate was suspended and transfer to the UNIFILTER-96 GF/B filter plate.c. 500 uL cleaning solution/empty cleaning UNIFILTER-96 GF/B filter plate 9 times.d. Incubated for 10 minutes in a 55° C. incubator.3. Readings
9986	1	Biochemical Fluorescence Intensity Kinetic Assay	USP30 biochemical fluorescence intensity IC50 assay Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.001 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555; Boston Biochem) at a final concentration of 100 nM. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature
9992	1	High Throughput Biochemical Assay	EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-catalyzes the phosphorylation of a universal Tyrosine kinase peptide substrate labeled with XL665. Europium conjugated phosphor-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor. The assay was performed in two main steps. The first step is the kinase reaction step and the second step is the detection step with TR-FRET reagents. In brief, test compounds 1:3 serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). EGFR enzyme (Human EGFR, cytoplasmic domain [669-1210] from Carna Biosciences Cat. No. 08-115) and substrates TK substrate-biotin (included in Cisbio HTRF KinEASE-TK kit Cat. No. 62TK0PEJ) were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 10 &#956;L reaction mixture contained 6 &#956;M ATP (1×Km) or 12 &#956;M ATP (2×Km), 1 &#956;M biotinylated peptide, 0.3 nM EGFR (for 1×Km ATP) or 0.1 nM EGFR (for 2×Km ATP) in reaction buffer (10 mM MOPs, pH 7.0, 1.5% Glycerol, 0.5 mg/ml BSA, 10 mM Mg-Acetate, 1 mM DTT, 0.025% NP-40). After 60 min of incubation at room temperature, 10 &#956;L of Stop and Detect Solution (1:400 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for over 60 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. 
9993	1	Menin Binding Affinity	A fluorescence polarization (FP) competitive binding assay was used to determine the binding affinities of representative menin inhibitors. A FAM labeled fluorescent probe was designed and synthesized based on a MLL1 peptide (FAM-MM2). Equilibrium dissociation constant (Kd) value of FAM-MM2 to menin protein was determined from protein saturation experiments by monitoring the total fluorescence polarization of mixtures composed with the fluorescent probe at a fixed concentration and the protein with increasing concentrations up to full saturation. Serial dilutions of the protein were mixed with FAM-MM2 to a final volume of 200 &#956;l in the assay buffer (PBS with 0.02% Bovine &#947;-Globulin and 4% DMSO. 0.01% Triton X-100 was added right before assays). Final FAM-MM2 concentration was 2 nM. Plates were incubated at room temperature for 30 minutes with gentle shaking to assure equilibrium. FP values in millipolarization units (mP) were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, v-bottom plates (Thermo Scientific, Waltham, Mass.) at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Kd value of FAM-MM2, which was calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 6.0 software (Graphpad Software, San Diego, Calif.), was determined as 1.4 nM.
9994	1	JAK1, JAK2, JAK3 and TYK2 Enzymatic Inhibition Assay	1. Test Materials        JAK1, JAK2, JAK3 and TYK2 enzymes were purchased from Life Technologies; and substrate GFP-STAT1 was purchased from Life Technologies.2. Test MethodTest compounds, enzymes, the substrate and ATP were diluted to the desired concentrations with the assay buffer (40 mM Tris-HCl, pH 7.4, 20 mM MgCl2, 0.1% BSA). The former three were added into a multiple well plate, and incubated at room temperature after being mixed homogeneously. ATP was added to initiate the kinase reaction, and incubation at room temperature was performed. ADP-Glo was added, and incubation at room temperature was performed. The kinase detector reagent was then added, and incubation at room temperature was performed. The luminescence intensity of each test group was detected, and the half maximal inhibitory concentration (IC50) value was calculated.
9994	2	Safety Test	The effect of test compounds on hERG potassium channel were determined using Predictor hERG Fluorescence Polarization Assay at concentrations of 3, 10, and 30 &#956;M.
9994	3	Safety Test	According to the experimental data in Table 2-2, in this test, the 50% inhibitory concentrations (IC50) of the test compounds on CYP1A2, CYP3A4 and CYP2D6 are all higher than 10 &#956;M. As such, the compound of the present invention has no significant inhibitory effect on CYP1A2, CYP2D6 and CYP3A4, and thus has no safety issue caused by metabolism interactions among different drugs due to inhibition of the enzymes.
9995	2	SSTR4 I-125 Somatostatin Competition Binding Assay	This membrane-based assay measures the ability of compounds to competitively inhibit binding of I-125 labeled somatostatin to SSTR4 in membranes from CHO-K1 that overexpress SSTR4. Membranes from CHO-K1 cells overexpressing SSTR4 are purchased from Perkin Elmer (catalog number ES-524-M400UA). Test compounds are suspended in DMSO and then diluted in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, 1 mM CaCl2), 0.5% BSA) plus 0.2 nM I-125 labeled somatostatin (Perkin Elmer catalog number NEX389). Fifty &#956;L of compound/I-125 somatostatin in assay buffer are added per well to 96-well poly-propylene plate. Then 1 &#956;g of SSTR4 membranes in 50 &#956;L assay buffer are added per well. The Plate is incubated for 60 minutes at room temperature. FilterMat A filters (Perkin Elmer catalog number 1450-421) are pre-soaked in 0.5% PEI (Sigma catalog number P3143). The contents of the assay plate are transferred to filters with a TomTech harvester and washed 5 times with 20 mM HEPES, 100 mM NaCl. The filters are dried in a microwave oven then transferred to sample bag containing a scintillator sheet (Perkin Elmer catalog number 1450-441). The scintillator sheets are melted to filters using a heat block. The filters are then read in a MicroBeta scintillation counter. Binding Ki curves are generated using Activity Base for Screening Data Management and the results are reported as pIC50.
9995	3	SSTR1 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR4	This membrane-based assay measures the ability of compounds to competitively inhibit binding of I-125 labeled somatostatin to SSTR1 in membranes from CHO-K1 that overexpress SSTR1. Membranes from CHO-K1 cells overexpressing SSTR1 are purchased from Perkin Elmer (catalog number ES-520-M400UA). Test compounds are suspended in DMSO and then diluted in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, 1 mM CaCl2), 0.5% BSA) plus 0.4 nM I-125 labeled somatostatin (Perkin Elmer catalog number NEX389). Fifty &#956;L of compound/I-125 somatostatin in assay buffer are added per well to 96-well poly-propylene plate. Then 10 &#956;g of SSTR1 membranes in 50 &#956;L assay buffer are added per well. The plate is incubated for 60 minutes at room temperature. FilterMat A filters (Perkin Elmer catalog number 1450-421) are pre-soaked in 0.5% PEI (Sigma catalog number P3143). The contents of the assay plate are transferred to filters with a TomTech harvester and washed 5 times with 20 mM HEPES, 100 mM NaCl. The filters are dried in a microwave oven then transferred to sample bag containing a scintillator sheet (Perkin Elmer catalog number 1450-441). The scintillator sheets are melted to the filters using a heat block. The filters are then read in a MicroBeta scintillation counter. Binding Ki curves are generated using Activity Base for Screening Data Management and the results are reported as pIC50.
9996	1	S1P1 Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (Ethylenediamine tetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination.Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin Elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA(bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 &#956;l/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
9996	2	Receptor [35S] GTPgammaS Binding Assays	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 &#956;L/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 &#956;L/well, final protein 3 &#956;g/well) with MULTIDROP . [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA(ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 10 &#956;M GDP, 0.1% fatty acid free BSA, and 10 &#956;g/ml Saponin to 0.4 nM. 40 &#956;L of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 &#956;L) was added to each well for counting on the Packard TOPCOUNT . EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested.A smaller value for GTP&#947;S S1P1 EC50 value indicated greater activity for the compound in the GTP&#947;S S1P1 binding assay. Thus the compounds of the present invention may be used in treating, preventing, or curing various S1P1 receptor-related conditions. The compounds have potential use in treating, preventing, or curing autoimmune and inflammatory diseases such as multiple sclerosis, rheumatoid arthritis, inflammatory bowel disease, lupus, psoriasis, or minimizing or reducing rejection of transplanted organs.
9998	1	H1 and 5-HT2A Binding Assay	1 &#956;l of a compounds of the present disclosure and either reference compound (Table C) were transferred to assay plates. 1 &#956;l of 0.2 mM Ketanserin or Pyrilamine was transferred to an assay plate according to the plate map for nonspecific binding (Low control: LC). 1 &#956;l of DMSO was transferred to an assay plate according to plate map for total binding (High control: HC).100 &#956;lof membrane stocks were dispensed into the plates, following the plate map. 100 of radio ligand was added. The plates were sealed and shaken at 300 rpm at room temperature for 1 hour. The Unifilter-96 GF/C filter plates were soaked with 50 of 0.3% PEI per well for at least 0.5 hour at room temperature.When the binding assays were complete, the reaction mixture was filtered through GF/C plates using Perkin Elmer Filtermate Harvester, and then each plate was washed 4 times with cold wash buffer. The filter plates were dried for 1 hour at 50 degrees. After drying, the bottom of the filter plate wells were sealed using Perkin Elmer Unifilter-96 backing seal tape. 50 &#956;l of Perkin Elmer Microscint 20 cocktail was added. The top of the filter plates were sealed with Perkin Elmer TopSeal-A sealing film.
9998	2	5-HT2C Binding Assay	1 &#956;L of a compound of the present disclosure the reference compound (Table J) was transferred to an assay plate. 1 &#956;L of 0.2 mM SB-206533 was transferred to an assay plate according to the plate map for nonspecific binding (Low control: LC). 1 &#956;L of DMSO was transferred to an assay plate according to the plate map for total binding (High control: HC).Unifilter-96 GF/C filter plates were soaked with 50 &#956;L of 0.3% PEI per well for about 0.5 hours at room temperature. When the binding assays were complete, the reaction mixture was filtered through the GF/C filter plates using Perkin Elmer Filtermate Harvester, and each plate was washed 4 times with cold wash buffer. The filter plates were dried for 1 hour at 50° C. After drying, the bottom of the filter plate wells were sealed using Perkin Elmer Unifilter-96 backing seal tape. 50 &#956;L of Perkin Elmer Microscint 20 cocktail was added. The top of the filter plates were sealed with Perkin Elmer TopSeal-A sealing film.
9998	3	D2 binding assay	1 &#956;L of a compound of the present disclosure and the reference compound (Table O) was transferred to an assay plate. 1 &#956;L of droperidol was transferred to an assay plate according to the plate map for nonspecific binding (Low control: LC). 1 &#956;L of DMSO was transferred to an assay plate according to the plate map for total binding (High control: HC). Following a plate map, 100 &#956;L of the membrane stock solutions and radio ligand were added into the plate. The plates were sealed and shaken with 300 rpm.Unifilter-96 GF/C filter plates were soaked with 50 &#956;L of 0.3% PEI per well for about 0.5 hours at room temperature. When the binding assays were complete, the reaction mixture was filtered through the GF/B filter plates using Perkin Elmer Filtermate Harvester, and each plate was washed 4 times with cold wash buffer. The filter plates were dried for 1 hour at 50° C. After drying, the bottom of the filter plate wells were sealed using Perkin Elmer Unifilter-96 backing seal tape. 50 &#956;L of Perkin Elmer Microscint 20 cocktail was added. The top of the filter plates were sealed with Perkin Elmer TopSeal-A sealing film.
9999	1	BoNT/A LC429 Enzymatic assay	In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 &#956;M substrate in 30 mM HEPES pH 7.3, 0.05 mM zinc acetate, 0.05% Tween 20 for a total volume of 100 &#956;L. Varying concentrations of inhibitor were added with a final DMSO concentration of 2.5%. The rate of enzymatic activity (RFU/sec) was monitored by a 60 minute kinetic read at ex 320 nm, em 420 nm.Substrate: Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-NH2 (SEQ ID NO:1); &#955;ex=320 nm, &#955;em=420 nm
10000	1	PI3K-gamma Scintillation Proximity Assay	Materials: [&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10000	2	PI3Kdelta Scintillation Proximity Assay	Materials: [&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10001	1	Ion Channel Selectivity	In order to address more specifically the potential selectivity issues, a counterassay was carried out for compound 2 against TRPV1 and TRPV4 ion channels, both involved in the nociception (Jhaveri M D, et al 2005. Eur. J. Neurosci. 22 (2): 361-70, Brierley S M et al, 2008, Gastroenterology. 2008 June; 134 (7):2059-69) and towards TRPA1.
10002	1	Receptor Binding Assays	Receptor binding assays were performed by the Psychoactive Drug Screening Program (PDSP) at Chapel Hill, N.C. The assay protocol book can be accessed free of charge at: website pdsp.med.unc.edu/PDSP %20Protocols %20II %202013-03-28.pdf, which is incorporated by reference in it&#39;s entirety for all purposes. Briefly, Sig1Rs and Sig2Rs were sourced from homogenates of Guinea pig brains and rat livers, respectively. Assessment of Sig1R binding affinity was determined via competition binding assays with the radioligand [3H]-(+)-pentazocine. Sig2R binding affinity was determined through competition binding assays using the radioligand [3H]-ditolylguanidine in the presence of (+)-pentazocine to block Sig1R binding sites. For primary binding results, non-specific binding in the presence of 10 mM is set as 100% inhibition; total binding in the absence of haloperidol is set to 0% inhibition. The radioactivity in the presence of the test compound is calculated with the following equation and expressed as a percent inhibition: % inhibition=(sample CPM non-specific CPM)/Total CPM&#8722;non-specific CPM)×100. The normalization process is carried out in Prism or Excel. To determine secondary binding results, CPM/well are pooled and fitted to a three parameter logistic function for competition binding in Prism v 5.0 to determine IC50 values, which are converted to Ki according to the Cheng-Prusoff equation.
10003	1	Pharmacological Test	For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are designed for studying the stimulation of human TLR8 or TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene is placed under the control of the IFN-b minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Therefore the reporter expression is regulated by the NF-&#954;B promoter upon stimulation of human TLR8 or TLR7 for 20 hours. The cell culture supernatant SEAP reporter activity was determined using Quanti Blue kit (Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple/blue in the presence of alkaline phosphatase. EC50 values were determined using Activity Base analysis (ID Business Solution, Limited).
10004	1	FGFR1 Enzyme Inhibition	The inhibitory activities of compounds of the invention against FGFR1 (FGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR1 protein (3.12 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was then initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10004	2	FGFR3 Enzyme Inhibition	The inhibitory activities of compounds of the invention against FGFR3 (FGFR3 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR3 protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (Ala6, Glu2, Lys5, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10004	3	PDGFRalpha Enzyme Inhibition	The inhibitory activities of compounds of the invention against PDGFR&#945; (PDGFR&#945; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#945; protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10004	4	PDGFRbeta Enzyme Inhibition	The inhibitory activities of compounds of the invention against PDGFR&#946; (PDGFR&#946; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#946; protein (6.25 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10004	5	VEGFR1 Enzyme Inhibition	The inhibitory activities of compounds of the invention against VEGFR1 (VEGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR1 protein (12.5 ng/mL, 2 &#956;L), substrate (IGFR1Rtide, 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10004	6	VEGFR2 Enzyme Inhibition	The inhibitory activities of compounds of the invention against VEGFR2 (VEGFR2 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR2 protein (1.56 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10005	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 60 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 2 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).Recombinant Proteins: Human PD-1 (25-167) with a C-terminal human Fc domain of immunoglobulin G (Ig) epitope tag [hPD-1 (25-167)-3S-IG] and human PD-L1 (18-239) with a C-terminal His epitope tag [hPD-L1(18-239)-TVMV-His] were expressed in HEK293T cells and purified sequentially by ProteinA affinity chromatography and size exclusion chromatography. Human PD-L2-His and CD80-His was obtained through commercial sources.
10006	1	[35S]GTPgammaS Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.). All the results presented are means of several independent experiments and analyzed by non-linear regression methods using the commercially available program Prism (GraphPad, San Diego, Calif.) providing the EC50 values detailed in Table 40.
10007	1	Evaluation of the Inhibition of USP7 by the Fluorescence Intensity (FLINT) Readings	USP7 activity was measured using Rhodamine-110 c-terminal labelled Ubiquitin as a substrate (Viva Biosciences). Incubation with USP7 results in the release of Rhodamine-110 leading to an increase in fluorescence which can be used in the continuous measurement of USP7 activity.The USP7 reactions were performed in a 50 &#956;L volume, in 384 well black solid low binding plates (Corning #3575). The reaction buffer consisted of 100 mM Bicine pH 8.0, 0.01% TritonX100, 1 mM TCEP, and 10% DMSO.0.25 nM His-His-USP7 (aa208-560, [C315A]) was incubated with compound (final concentration 10% DMSO) for 60 minutes at 30° C. The reaction was then initiated by the addition of 500 nM Ubiquitin-Rhodamine-110 substrate and the plate read every 3 minutes for 21 minutes to measure the release of Rhodamine-110. Fluorescence Intensity (FLINT) readings were measured using a Biomek Neo plate reader (Ex.485 nm, Em.535 nm).The inhibition of increasing doses of compound was expressed as a percentage reduction in kinetic rate compared to the kinetic rates established between DMSO only and total inhibition controls (no USP7). The inhibitory concentrations that gave a 50% reduction in kinetic rate (IC50) were determined, from 11-point dose response curves, in XL-Fit using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model).
10008	1	IDO Enzyme Activity Inhibition Testing	The effects of the compounds of the invention on the activity of indoleamine 2,3-dioxygenase (IDO) were evaluated by the Ehrlich method.The experimental principle is summarized as follows: IDO1 catalyzes oxidation of tryptophan to form N-formyl kynurenine, N-formyl kynurenine is subsequently hydrolyzed by trichloroacetic acid to form kynurenine, and kynurenine further reacts with the Ehrlich reagent to make the solution yellow. The absorbance at 490 nm (OD490) is directly proportional to the activity of IDO1.
10009	1	IRAK4 Biochemical Assay	IRAK4 enzyme (Carna Biosciences, Chuo-ku, Kobe, Japan) activity was measured by detecting phosphorylated peptide substrate formation using an antibody against the phosphorylated peptide substrate. This is a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on the STK1 KinEASE Assay (Cisbio, Bedford, Mass.). The assay was designed as a simple two-step, endpoint assay (a 5 &#956;l enzyme reaction followed by 5 &#956;l stop and detect Solution) performed in ProxiPlate-384 Plus plates (Perkin Elmer, Waltham, Mass.). Staurosporine, a non-selective kinase inhibitor was used as a positive control. Compounds diluted in DMSO were spotted into 384 well plates using a Labcyte Echo 550 Liquid Handling System prior to addition of IRAK4 enzyme and peptide substrate. Reaction solutions were delivered using a Multi-Flo (Bio-Tek Instruments). The enzyme and peptide solution was incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5 &#956;l reaction mixture contained 500 &#956;M ATP, 2 M peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 5 mM MgC2, 0.025% NP-40, 1 mM DTT). After 120 min of incubation at room temperature, 5 &#956;l of Stop and Detect Solution (1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM Tracer in a 50 mM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as aratio (665 nm/615 nm). Percentage of inhibition was calculated as below:% Inhibition=100×(Ratiosample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition)The 0% inhibition value comes from control wells lacking inhibitor. The 100% inhibition value comes from control wells containing a saturating amount of known inhibitor staurosporine.
13275	1	Human Nav1.7 Inhibitory Activity Evaluation	The amount of current through human Nav1.7 was recorded using a fully automatic patch clamp device QPatch16X (Sophion Biosciences) at room temperature. As the extracellular solution, the solution of 145 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM Glucose, 10 mM 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid (HEPES) at pH 7.4 was used. As the intracellular solution, the solution of 135 mM CsF, ⅕ mM glycol ether diaminetetraacetic acid (EGTA)/CsOH, 10 mM HEPES, 10 mM NaCl at pH 7.3 was used. The test compounds were dissolved in dimethyl sulfoxide (DMSO) and diluted with the extracellular solution to attain the DMSO concentration of 0.1% at the time of assay. The current response was obtained at a sampling frequency of 25 kHz, and noise was removed with a 3 kHz low-pass filter. The holding potential was −100 mV. Correction of the leakage current was carried out by applying a step pulse of −120 mV before the test pulse. In order to investigate inhibitory action of the test compound, the following test pulse was given: Namely, after depolarizing pulse of −10 mV was applied for 50 milliseconds, it was fixed at −120 mV for 500 milliseconds; a potential at which about 30-40% of the channel was inactivated was maintained for 15 seconds, then fixed again at −120 mV for 100 milliseconds, and finally a −10 mV depolarization pulse was given for 50 milliseconds. Test pulses were given before and after the test compound addition.
13275	2	Human Nav1.5 Inhibitory Activity Evaluation	The amount of current through human Nav1.5 was recorded using a fully automatic patch clamp device QPatch16X at room temperature. As the extracellular solution, 145 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM Glucose, and 10 mM HEPES at pH 7.4 was used. As the intracellular solution, 135 mM CsF, ⅕ mM EGTA/CsOH, 10 mM HEPES, and 10 mM NaCl at pH 7.3 was used. The test compounds were dissolved in DMSO and diluted with the extracellular solution to attend the DMSO concentration of 0.1% at the time of assay.The current response was obtained at a sampling frequency of 25 kHz, and noise was removed with a 3 kHz low-pass filter. The holding potential was −80 mV. Correction of the leakage current was carried out by applying a step pulse of −100 mV before the test pulse. In order to investigate human Nav1.5 inhibitory effect of the test compound, test pulses imitating the action potential of cardiomyocytes were continuously given 20 times. The test pulses were given before and after the test compound addition.
10011	1	ERalpha Binding Assay	The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha-LBD (GST)) was assessed in competition assays using a LanthaScreen Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) detection end-point. For the LanthaScreen TR-FRET endpoint, a suitable fluorophore (Fluormone ES2, ThermoFisher, Product code P2645) and recombinant human Estrogen Receptor alpha ligand binding domain, residues 307-554 (expressed and purified in-house) were used to measure compound binding. The assay principle is that ER alpha-LBD (GST) is added to a fluorescent ligand to form a receptor/fluorophore complex. A terbium-labelled anti-GST antibody (Product code PV3551) is used to indirectly label the receptor by binding to its GST tag, and competitive binding is detected by a test compound&#39;s ability to displace the fluorescent ligand, resulting in a loss of TR-FRET signal between the Tb-anti-GST antibody and the tracer. The assay was performed as follows with all reagent additions carried out using the Beckman Coulter BioRAPTR FRD microfluidic workstation: 1. Acoustic dispense 120 nL of the test compound into a black low volume 384 well assay plates. 2. Prepare 1×ER alpha-LBD/Tb-antiGST Ab in ES2 screening buffer and incubate for 15 minutes. 3. Dispense 6 &#956;L of the 1× AR-LBD/Tb-anti-GST Ab reagent into each well of the assay plate followed by 6 &#956;L of Fluorophore reagent into each well of the assay plate 4. Cover the assay plate to protect the reagents from light and evaporation, and incubate at room temperature for 4 hours. 5. Excite at 337 nm and measure the fluorescent emission signal of each well at 490 nm and 520 nm using the BMG PheraSTAR.Compounds were dosed directly from a compound source microplate containing serially diluted compound (4 wells containing 10 mM, 0.1 mM, 1 &#956;M and 10 nM final compound respectively) to an assay microplate using the Labcyte Echo 550. The Echo 550 is a liquid handler that uses acoustic technology to perform direct microplate-to-microplate transfers of DMSO compound solutions and the system can be programmed to transfer multiple small nL volumes of compound from the different source plate wells to give the desired serial dilution of compound in the assay which is then back-filled to normalise the DMSO concentration across the dilution range.In total 120 nL of compound plus DMSO were added to each well and compounds were tested in a 12-point concentration response format over a final compound concentration range of 10, 2.917, 1.042, 0.2083, 0.1, 0.0292, 0.0104, 0.002083, 0.001, 0.0002917, 0.0001042, and 0.00001 &#956;M respectively. TR-FRET dose response data obtained with each compound was exported into a suitable software package (such as Origin or Genedata) to perform curve fitting analysis. Competitive ER alpha binding was expressed as an IC50 value. This was determined by calculation of the concentration of compound that was required to give a 50% reduction in tracer compound binding to ER alpha-LBD.
10011	2	hERG Binding Assa	hERG (human ether a go go-related gene) potassium channels are essential for normal electrical activity in the heart. Arrhythmia can be induced by a blockage of hERG channels by a diverse group of drugs. This side effect is a common reason for drug failure in preclinical safety trials [Sanguinetti et al., Nature, 2006, 440, 463-469.] and therefore minimisation of hERG channel blocking activity may be a desirable property for drug candidates.The purpose of the hERG binding assay is to evaluate the effects of test compounds on the voltage-dependent potassium channel encoded by the human ether go go-related gene (hERG) using a constitutively expressing CHO cell line on the Nanion Syncropatch 384PE automated patch clamp system.
10012	1	Malachite Green Assay	Materials:Enzyme: MAT2AhMAT2A: 50 nM, Cepter, 10 mg/mL (234 &#956;M), amino acids 1-395Substrates: 500 uM eachReaction time: 1 hourL-methionine Substrate: Alfa Aesar catalog #J61904ATP Substrate: Alfa Aesar cat #J60336Malachite Green Detection Reagent: Millipore Sigma catalog #MAK307-1KTAssay buffer: 50 mM Tris, pH 7.5/50 mM KCl/10 mM MgCl2/0.01% Brij-35/1 mM DTT/0.1% BGGTemperature: 23° C.Total volume: 20 &#956;LControls:0% inhibition control: DMSO100% inhibition control: No enzymeProcedure:5 &#956;L of 3× final concentration test compounds in DMSO or DMSO were transferred to the appropriate wells of a microtiter plate and the plate was centrifuged at 1000 rpm for 1 minute. 5 &#956;L of 3× final concentration MAT2A enzyme in assay buffer or assay buffer alone was transferred to the appropriate wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was incubated at room temperature for 15 minutes and then 5 &#956;L of 3× the L-methionine and ATP substrate mixture in assay buffer was transferred to all the test wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 5 &#956;L of malachite green detection reagent was added to all the test wells and the plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 30 minutes. The plate was read for absorbance at 620 nm on a plate reader (e.g., Infinite M1000). The high control (DMSO) with high absorbance represents no inhibition of enzymatic reaction while the low control (no enzyme) with low absorbance represents full inhibition of enzymatic reaction.
10012	2	Phosphate Sensor Fluorescence Assay 	MAT2A enzyme is incubated with a test compound in DMSO or DMSO and its substrates (L-methionine and ATP) in a microtiter plate. The enzymatic reaction is stopped by the addition of Working Phosphate Sensor Mixture. The plate is analyzed for fluorescence at 450 nm. The high control (DMSO with enzyme and its substrates) gives high fluorescence which represents no inhibition of enzymatic activity while the low control (DMSO with MAT2A substrates and no enzyme) gives low fluorescence which represents full inhibition of enzymatic activity.Materials:Human MAT2A: Cepter, amino acids 1-395Tris, pH 7.5: Invitrogen cat #15567-027KCl: Ambion cat #AM9640GMgCl2: Ambion cat #AM9530GBrij-35: Sigma cat B4184-10MLDTT: Goldbio cat #DTT100BGG: Sigma cat #G5009-25GPNP: Novus Biologicals cat #NBP1-508727-MEG: Cayman Chemical cat #15988L-Methionine: Alfa Aesar cat #J61904ATP: Alfa Aesar cat #J60336Phosphate Sensor: Thermo Fisher cat #PV4407EDTA: Life Tech cat #15575-038Assay plate: 384-well black polypropylene plate: Thomas Scientific cat #1149Q35Final Assay Conditions:Assay Buffer: 50 mM Tris, pH 7.5/50 mM KCl/10 mM MgCl2/0.01% Brij-35/1 mM DTT/0.1% BGG/40 nM PNP/6 uM 7-MEGMAT2A: 10 nM for Cepter clone ID 329, lot 00023-123 before the addition of Working Phosphate Sensor Mixture 5 nM for Cepter clone ID 334, lot 00023-148 before the addition of Working Phosphate Sensor MixtureL-methionine: 500 uM before the addition of Working Phosphate Sensor MixtureATP: 500 uM before the addition of Working Phosphate Sensor MixtureProcedure:For the assay, a mixture of 1 mM L-methionine/1 mM ATP (2× final pre-stopped concentration) in assay buffer; MAT2A (2× final pre-stopped concentration) in Assay Buffer and Working Phosphate Sensor Mixture (1.5 uM Phosphate Sensor/30 mM EDTA in Assay Buffer, which is 3× final concentrations) were prepared. Test compounds or DMSO were added to the appropriate well suing D300e digital dispenser. 5 &#956;l/well of Assay Buffer was added to the wells corresponding to the negative control and 5 &#956;l/well of MAT2A was added to all the wells except for those corresponding to the negative control. After incubating the plate at room temperature for 15 minutes, 5 &#956;l/well of the 1 mM L-methionine/1 mM ATP mixture was added to all wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 5 &#956;l of the Working Phosphate Sensor Mixture was added to all wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was read for fluorescence at 450 nm after exciting at 430 nm.
10013	1	Measurement of Inhibitory Activity Against RET (In Vitro)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (the final concentration: 250 nM), magnesium chloride (the final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (the final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform a kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
10014	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2(JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (lx PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.
10015	1	Calcium Influx Assay Based on Fluorescence	Ca2+ (calcium) influx assay is an experiment for measuring the activity of a positive allosteric modulator of mGluR5 receptor in which human mGluR5 receptor-overexpressed HEK293 cell line is used. The day before the experiment, cells were prepared in a cell culture medium (DMEM, 5% FBS) with the density of 80,000/well, and 100 &#956;l of cells were dispensed into each well of a poly-D-lysine-coated 96-well plate. Cells were incubated in a 5% CO2, 37° C. incubator. The next day, the cell culture medium was removed from the plate, and 100 &#956;l of 1× Fluo-4 calcium indicator diluted with a buffer (1× Hank&#39;s balanced salt solution, 20 mM HEPES, 2.5 mM probenecid) were added to each well and incubated at 37° C. for 1 hour. The compound stock solutions were prepared in 100% DMSO, and the compounds were serially diluted with a 1/4 dilution to 6 or 7 concentrations (final concentration was 10 &#956;M to 10 nM). The diluted compound solutions were added to the plate with 0.1 to 0.2% of final DMSO concentration. 1 hour after the addition of Fluo-4 calcium indicator, L-glutamate (EC20 concentration) and the test compound solutions were added to the plate, and Ca2+ reaction was then measured by FLIPR at room temperature. The activity of the compounds was standardized on the basis of the results of maximum value-minimum value of fluorescent reaction, and the activity value was calculated on the basis that no activity on glutamate EC20 is 0% and the reaction to glutamate maximum value is 100%.
10016	1	Inhibitory Test of TNAP Activity	COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Invitrogen Corp.). On the next day, the medium was replaced with a fresh medium, and the cells were cultured in an incubator for 3 days. After 3 days, the culture supernatant was collected and concentrated by centrifugation at 5000 G for 30 minutes using Amicon 14, 104 cut (Merck Millipore). The concentrated culture supernatant was dialyzed against 5 L of 50 mM Tris/200 mM NaCl/1 mM MgCl2/20 &#956;M ZnCl2 twice and used as an enzyme source (enzyme solution). The substrate pNPP (ProteoChem Inc.) was adjusted to 3.1 mM with Milli-Q water, and a solution of each test compound dissolved in dimethyl sulfoxide (DMSO; Wako Pure Chemical Industries, Ltd.) by 6 serial dilutions at a 5-fold common ratio from 100 &#956;M, or DMSO was added thereto at a final concentration of 1% by volume. The enzyme solution adjusted to 2 &#956;g/mL with an assay buffer (200 mM Tris/2 mM MgCl2/0.04 mM ZnCl2/0.01% Tween 20) was added in the same amount of the substrate solution and incubated at room temperature for 60 minutes. Then, the absorbance (ABS: 405 nm) was measured using a microplate reader (model plus 384, Molecular Devices, LLC), and the concentration of produced p-nitrophenol was calculated. The inhibition of human TNAP activity by the test compound was evaluated on the basis of the concentration IC50 at which each test compound suppressed 50% of p-nitrophenol production.
10017	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;I of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;I. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;ex485 nm; (&#955;emm520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
10018	1	Androgen Receptor Binding Assay	Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by competition binding assay (Schilling K. and Liao S., The Prostate, 1984; 5(6):581-588). Cytosol preparations and 1 nM [3H]mibolerone were incubated with increasing concentrations of test compounds. To determine non-specific binding, parallel incubations were carried out using excess of unlabelled testosterone. After incubation, bound and free steroids were separated by treatment with dextran-coated charcoal suspension. Bound radioactivity was determined by counting of supernatant fraction in scintillation fluid. Radioactivity was measured using a Microbeta counter. All data points were done as quadrublicates. Dissociation constant of [3H]mibolerone for rat androgen receptor was determined by saturation binding assay obtained from ventral prostates of castrated rats essentially as described (Isomaa V. et al., Endocrinology, 1982; 111(3):833-843).
10018	2	AR Antagonism	Antagonism of test compounds for AR was measured by reporter gene assay in human embryonic kidney (HEK293) cells stably transfected with an expression vector encoding full-length human AR and androgen responsive luciferase reporter gene construct (hAR/HEK293 cells). To determine antagonism for hAR, the cells were treated simultaneously with increasing concentrations of the test compound and submaximal concentration of testosterone (usually 0.45 nM). The final DMSO concentration was 1%. All test compounds were studied in triplicates. The cells were incubated for 24 before measurement of luciferase activity using Luciferase Assay System (Promega Corporation).Agonism of test compounds in AR overexpressing cells was measured by reporter gene assay in HEK293 cells stably transfected with an expression vector encoding full-length human AR and androgen responsive luciferase reporter gene construct. A clone expressing high levels of androgen receptor (5 times more than AR levels in AR-HEK293 cells) was selected to study agonism in AR overexpressing cells. To determine agonism, the cells were treated with increasing concentrations of the test compound. The final DMSO concentration was 1%. The test compounds were studied in triplicates and luciferase activity was determined as described above.
10019	1	competition binding assay	The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding assay using Scintillation Proximity technology. Thus, 1.0 &#956;g of membranes from CHO-K1 cells expressing the human A2a receptor were incubated with a compound of the invention at concentrations ranging from 3000 nM to 0.15 nM in a reaction mixture also containing 2.0 nM of a tritiated form of 5-amino-7-[2-phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine (the tritiated compound) and 100 &#956;g of wheatgerm agglutin-coated yttrium silicate SPA beads for one hour at room temperature with agitation. The beads were then allowed to settle to the bottom of the wells for 1 hr, after which the membrane-associated radioactivity was determined by scintillation counting in a TopCount microplate reader. Ki values were determined using the Cheng-Prusoff equation.
10020	1	 fluorescence anisotropy assay	The affinity of Example 1-33 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47, (S rme et al., 2004) and Monovalent interactions of Galectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al., 2010).
10021	1	Biochemical Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 uM ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000.
10022	1	[35S]GTP&#947;S Binding Assay	Measurement of mGluR2 positive allosteric modulatory activity of test compounds in membranes containing human mGluR2 was performed using frozen membranes that were thawed and briefly homogenized prior to pre-incubation in 96-well microplates (15 &#956;g/assay well, 30 minutes, 30° C.) in assay buffer (50 mM HEPES pH 7.4, 100 mM NaCl, 3 mM MgCl2, 50 &#956;M GDP, 10 &#956;g/ml saponin,) with increasing concentrations of positive allosteric modulator (from 0.3 nM to 50 &#956;M) and either a minimal pre-determined concentration of glutamate (PAM assay), or no added glutamate. For the PAM assay, membranes were pre-incubated with glutamate at EC25 concentration, i.e. a concentration that gives 25% of the maximal response glutamate, and is in accordance to published data (Pin et al. (1999) Eur. J. Pharmacol. 375:277-294). After addition of [35S]GTP&#947;S (0.1 nM, f.c.) to achieve a total reaction volume of 200 &#956;l, microplates were shaken briefly and further incubated to allow [35S]GTP&#947;S incorporation on activation (30 minutes, 30° C.). The reaction was stopped by rapid vacuum filtration over glass-fibre filter plates (Unifilter 96-well GF/B filter plates, Perkin-Elmer, Downers Grove, USA) microplate using a 96-well plate cell harvester (Filtermate, Perkin-Elmer, USA), and then by washing three times with 300 &#956;l of ice-cold wash buffer (Na2PO4.2H2O 10 mM, NaH2PO4.H2O 10 mM, pH=7.4). 
10023	1	Enzymatic Activity Assay	Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and was pre-activated in the presence of 2 mM ATP (Sigma-Aldrich, cat #GE27-2056-01) and 2 mM magnesium chloride for 16 hours at 4° C. The protein reaction mixture was then loaded to a desalting column (Thermo Fisher Scientific, Cat #89889) to remove excess ATP. HPK1 was eluted with buffer containing 20 mM Tris (2-Amino-2-(hydroxymethyl)propane-1,3-diol) pH 8.0, 150 mM NaCl, 2 mM dithiothreitol and 5% glycerol, and was frozen at &#8722;80° C. for later use. HPK1 dual phosphorylation was confirmed by mass spectrometry.Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five microliters of a solution of recombinant HPK1 diluted in HPK1 kinase assay buffer (50 mM BES [N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid], pH 7.0; 10 mM magnesium chloride; 0.01% Triton X-100; 1 mM dithiothreitol; 0.01% bovine serum albumin; 0.1 mM sodium orthovanadate) was added to the compound-containing plate and was incubated for 15 minutes at 25° C. Five microliters of a mixture of ATP (Sigma-Aldrich #A6559) and peptide substrate STK S1 (Cisbio #61ST1BLC) diluted in HPK1 kinase assay buffer was then added to start the reaction. Final concentrations were 0.15 nM for HPK1, 10 &#956;M for ATP, and 1 &#956;M for the STK S1 peptide substrate. The reaction mixture was incubated at 25° C. for 3 hours and was stopped with the addition of 10 &#956;l of an EDTA (Ethylenediaminetetraacetic acid)-containing detection buffer (Cisbio #62SDBRDF) supplemented with Europium cryptate-labeled anti-phospho-serine/threonine antibodies (Cisbio #62ST1PEJ) and XL665-labeled streptavidin (Cisbio #610SAXLG). The mixture was incubated for 16 hours at room temperature and peptide phosphorylation was measured by time-resolved fluorescence energy transfer (665 nm/620 nm) on an Envision plate reader (PerkinElmer).
10024	1	Inhibition Assay	The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM with microtubuli (bovine or porcine, tebu-bio/Cytoskeleton Inc) stabilized with 50 &#956;g/ml taxol (Sigma No. T7191-5MG) for 5 min at RT in 15 mM PIPES, pH 6.8 (5 mM MgCl2 and 10 mM DTT, Sigma). The freshly prepared mixture was aliquoted into a 384 MTP (Greiner bio-one REF 781096). The inhibitors to be examined at concentrations of 1.0×10-6 M to 1.0×10-13 M and ATP (final concentration 500 &#956;M, Sigma) were then added. Incubation was at RT for 2 h. ATPase activity was detected by detecting the inorganic phosphate formed using malachite green (Biomol). After addition of the reagent, the assay was incubated at RT for 50 min prior to detection of the absorption at a wavelength of 620 nm. The positive controls used were monastrol (Sigma, M8515-1 mg) and ispinesib (AdooQ Bioscience A10486). The individual data of the dose-activity curve are eight-fold determinations. 
10025	1	GTP&#947;S Binding Assay	The assay was used to determine the activity of the compounds of the invention. The [35S]GTP&#947;S assay was incubated in 20 mM HEPES pH7.4, 100 mM NaCl, 10 &#956;g/ml saponin, 30 mM of MgCl2, 10 &#956;M of GDP, 5 &#956;g membrane-expressing hGPR43, 250 &#956;g of wheatgerm agglutinin beads (Amersham, ref: RPNQ001), a range concentration of compounds of the invention (from 30 &#956;M to 1 nM) in a final volume of 100 &#956;l for 30 min at room temperature. The SCFA propionate was used at 1 mM final concentration as positive control. The plates were then centrifuged for 10 minutes at 2000 rpm, incubated for 2 hours at room temperature and counted for 1 min in a scintillation counter (TopCount, PerkinElmer). The results of the tested compounds are reported as the concentration of the compound required to reach 50% (EC50) of the maximum level of the activation induced by these compounds.
10027	1	Enzyme Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 uM ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph 7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000. 
10028	1	In Vitro Assay	TABLE V: 5 &#956;L of a dilution series of compound, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. hENPP2 is used at a final concentration of 1 &#956;g/mL or 3 &#956;g/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.5, 500 mM NaCl, 5 mM KCl, 10 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 10 &#956;L. the reaction is started by the addition of 10 &#956;L of 150 &#956;M LPC (palmitoyl 16:0) diluted in the same buffer as described above and the mixture is incubated at 37° C. for 30 min. The reaction is terminated and choline quantified by the addition of a 25 &#956;L of a mixture containing 0.6 U/mL of choline oxidase, 0.6 U/mL of peroxydase, 1.8 mM TOOS, 1.2 mM amino-antipyrine, 20 mM EGTA (stop-developer solution) diluted in the buffer described above. Luminescence is read on the Envision after an incubation of 30 min at room temperature (Excitation 555 nm, excitation light=70%).
10028	2	Biochemical Assay	TABLE VI: (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotaxin substrate FS-3 as substrate. FS-3 is a doubly labeled analog of LPC wherein the fluorophore is quenched through intramolecular energy transfer. Without hENPP2, the emission of the probe is quenched. If the substrate is hydrolyzed by hENPP2, the emission of the probe is not quenched anymore resulting in a fluorescence increase. Inhibition of hENPP2 by compounds will result in a decrease of the signal.10 &#956;L of a dilution series of compound, starting from 20 &#956;M highest concentration, 1/5 dilution, is added to the wells. hENPP2 is used at a final concentration of 0.4 &#956;g/mL or 0.64 &#956;g/mL (it will be appreciated by the skilled person that the potency read out is independent of the enzyme concentration). The enzyme is diluted in 50 mM Tris-HCl pH 8.0, 250 mM NaCl, 5 mM KCl, 1 mM MgCl2, 1 mM CaCl2, 0.1% fatty acid free BSA in a total volume of 20 &#956;L. Enzyme mixture is added to compounds and the resulting mixture is incubated for 30 min at room temperature under shaking. The reaction is started by the addition of 20 &#956;L of 0.75 &#956;M FS-3 diluted in the same buffer as described above and the mixture is incubated at 30° C. for 30 min. Fluorescence is read on the Envision (Excitation 485 nm, emission 520 nM).
10029	1	Biochemical Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 uM ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000. Fractional activity was plotted against test article concentration. Using Genedata Screener software (Genedata; Basel, Switzerland), the data were fit to the tight-binding apparent inhibition constant (Ki app) Morrison equation [Williams, J. W. and Morrison, J. F. (1979) The kinetics of reversible tight-binding inhibition. Methods Enzymol 63: 437-67]. The following equation was used to calculate fractional activity and Ki app:Fractional &#8290; &#8290; activity = V i V o = 1 - ( [ E ] T + [ I ] T + K i app ) - ( [ E ] T + [ I ] T + K i app ) 2 - 4 &#8289; [ E ] T &#8289; [ I ] T 2 &#8289; [ E ] Twhere [E]T and [I]T are the total concentrations of active enzyme and test article, respectively.
10030	1	In Vitro JAK Kinase Inhibition Assay	Tested compounds were dissolved in 100% DMSO, and obtained stock solutions were serially diluted in the reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM EGTA, 0.1 mM Na3VO4, 0.01% Triton X-100, 2.5 mM DTT). Recombinant kinases JAK1 (ProQinase), JAK2, or JAK3 (Carna Biosciences) were diluted in the dilution buffer (50 mM Tris-HCl pH 7.5, 150 mM NaCl, 10% glycerol, 0.05% Triton X-100, 1 mM DTT) to the final concentration 3 ng/&#956;L (JAK1), 0.1 ng/&#956;L (JAK2), or 0.2 ng/&#956;L (JAK3). 5 &#956;L of obtained solution of the compounds and 5 &#956;L of the solution of respective kinases were added to the well of a 96-well plate. To initiate interaction between tested compounds and an enzyme, the plate was incubated for 10 minutes at 25° C. in a Plate-Thermo-Shaker with orbital stirring at 400 rpm. Wells of a negative control contained all reagents as mentioned above with the exception of tested compounds and kinase, and wells of a positive controls contained all reagents as mentioned above with the exception of tested compounds. Enzymatic reaction was initiated by the addition of 15 &#956;L of the following solution: 5× concentrated reaction buffer (50 mM Tris pH 7.5, 10 mM MgCl2, 0.25 mM EGTA, 0.1 mM Na3VO4, 0.01% Triton X-100, 2.5 mM DTT), water, 30 &#956;M ATP and for particular kinases: JAK1 60 &#956;M peptide IRS-1 (Enzo), JAK2 or JAK3 10 &#956;M peptide IGF-1Rtide (Lipopharm). Then the plate was incubated for 1 hour at 25° C. in a Plate-Thermo-Shaker, with orbital stirring at 400 rpm. Detection of ADP formed in the enzymatic reaction was then performed using ADP-Glo Kinase Assay kit (Promega). For this purpose, to the well of the 96-well plate 25 &#956;L of ADP-Glo Reagent were added, and the plate was incubated for 40 minutes at 25° C. in a Plate-Thermo-Shaker with orbital stirring at 400 rpm. Then to the well of the 96-well plate 50 &#956;L of Kinase Detection Reagent were added and the plate was incubated for 30 minutes at 25° C. in a Plate-Thermo-Shaker with orbital stirring at 400 rpm. After incubation, luminescence intensity was measured using Victor×Light luminometer (Perkin Elmer, Inc.).
10031	1	Biological Assay	ASSAY BUFFER Composition: 25 mM HEPES, 100 mM NaCl, 0.005% Tween 20, 0.05% BSA prepared in sterile water (all reagents from Sigma). PROTOCOL: The Gal-3 assays were performed in 384 white Opti plates in three replicates at room temperature with gentle shaking at 250-300 rpm From the original stocks, 2.525× working stock concentrations of His-tagged recombinant human Gal-3 (hGal-3) and that of B-ASF were prepared. From the working stock, 20 &#956;l of hGal-3 (15 nM) and 20 &#956;l B-ASF (15 nM) were added to the plates. In Negative Control, only hGal-3 was added. A concentration range of 50× working stocks were prepared for the compounds in 100% DMSO. Aliquots of 1 uL of the compounds were added to the wells and pre-incubated with 20 &#956;l hGal-3 per well for 30 minutes Then 20 &#956;l B-ASF were added and incubated for another 1 hour. To detect the signal, 5 &#956;(final conc. of 1.0 nM) terbium labelled Anti-His antibody was added and incubated for 30 min followed by adding 5 &#956;(final conc. of 20 nM) Streptavidin d2 and incubation for another 1 hour. The assay signal was detected using HTRF screen protocol (Excitation wavelength=340 nm, emission wavelength=615 nm/665 nm) on Envision 2104 Multilabel Reader. Data analysed using Toolset and Curve Master. Results are reported in the experimental section (IC50 in &#956;M).
10026	1	Amine Oxidase Activity Assay	LOXL2 amine oxidase activity is evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media is incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 ul of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;l of Amplex Red Mix (8.5 &#956;l Assay Buffer+0.5 &#956;l of 10 mM Amplex Red+1 &#956;l of 500 U/ml Horseradish Peroxidase) are added and the plate mixed and immediately placed on the FlexStaion for fluorescence measurements. Fluorescence is read in kinetic mode every 2 min for 1 hour at excitation=544 and emission=590. 
10032	1	Automated Whole-Cell Patch Clamp Assay to Detect TMEM16A Activity in Recombinant Cells	Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline TMEM16A current level. Percentage increases in current were determined for each concentration and the data plotted as a function of concentration using either the Qpatch software or Graphpad Prism v6.05 providing the concentration which gave 50% of its maximal effect (EC50) and maximum efficacy (percentage of baseline increase). The method of calculating the results is illustrated in FIG. 1, which shows an example trace from the Qpatch TMEM16A assay. In FIG. 1, IBL equals baseline current, I[#1] equals the peak current during test compound concentration 1 incubation period and so on.
10033	1	Evaluation of Antiviral Activity of Compounds Against COVID-19 (nCoV-2019, SARS-CoV2) Mpro in the Enzymatic Assay	Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-tagged Mpro (NC_045512) was cloned, expressed in E. coli and purified. The assay buffer contained 20 mM of Tris-HCl (pH 7.3), 100 mM of NaCl, 1 mM of EDTA, 5 mM of TCEP and 0.1% BSA. The final concentrations of the Mpro protein and substrate were 25 nM and 25 &#956;M, respectively, in the Mpro enzymatic assay. The Km of the Mpro substrate for the protease was 13.5 &#956;M.The compounds were added to an assay plate. For 100% inhibition control (HPE, hundred percent effect), 1 &#956;M GC376 was added. For no inhibition control (ZPE, zero percent effect), no compound was added. Each activity testing point had a relevant background control to normalize the fluorescence interference of compound.IC50 values of compounds were calculated with the GraphPad Prism software using the nonlinear regression model of log(inhibitor) vs. response Variable slope (four parameters).
10033	2	Evaluation of Antiviral Activity of Compounds Against Human Coronavirus (HCov) 229E and OC43 in the Cytopathic Effect (CPE) Assays	Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of compounds was calculated based on the protection of the virus-induced CPE at each concentration normalized by the virus control.Reagents and instruments used in this assay include luminescent cell viability assay kit CellTiter Glo (Promega) and Microplate Reader Synergy2 (BioTek).Virus HCoV 229ECytopathic effect (CPE) was measured by CellTiter Glo following the manufacturer&#39;s manual. The antiviral activity of compounds was calculated based on the protection of the virus-induced CPE at each concentration normalized by the virus control.
10034	1	FRET-based enzymatic assay	FRET-based enzymatic assay.
10035	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV-2 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA-SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK(DABCYL)-OH. The fluorescence of the cleaved TAMRA (ex. 558 nm / em.581 nm) peptide was measured using a TECAN SAFI RE fluorescence plate reader over the course of 10 min. Typical reaction solutions contained 20 mM HEPES (pH 7.0), 1 mM EDTA, 4.0 uM FRET substrate, 4% DMSO and 0.005% Tween-20. Assays were initiated with the addition of 25 nM SARS 3CLpro (nucleotide sequence 9985-10902 of the Urbani strain of SARS coronavirus complete genome sequence (NCBI accession number AY278741)). Percent inhibition was determined in duplicate at 0.001 mM level of inhibitor. Data was analyzed with the non-linear regression analysis program Kalidagraph using the equation:FU =offset+ (limit)(1- e -(kobs)t)where offset equals the fluorescence signal of the uncleaved peptide substrate, and limit equals the fluorescence of fully cleaved peptide substrate. The kobs is the first order rate constant for this reaction, and in the absence of any inhibitor represents the utilization of substrate. In an enzyme start reaction which contains an irreversible inhibitors, and where the calculated limit is less than 20% of the theoretical maximum limit, the calculated kobs represents the rate of inactivation of coronavirus 3C protease. The slope (kobs/ 1) of a plot of kobs vs. [I] is a measure of the avidity of the inhibitor for an enzyme. For very fast irreversible inhibitors, kobs/l is calculated from observations at only one or two [I] rather than as a slope.
10035	2	Antiviral activity from SARS-CoV-2 infection	The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay format that utilizes luciferase to measure intracellular ATP as an endpoint. In brief, VeroE6 cells that are enriched for hACE2 expression were batched inoculated with SARS-CoV-2 (USA_WA 1/2020) at a multiplicity of infection of 0.002 in a BSL-3 lab. Virus-inoculated cells were then added to assay-ready compound plates at a density of 4,000 cells/well. Following a 3-day incubation, a time at which virus-induced cytopathic effect is 95% in the untreated, infected control conditions, cell viability was evaluated using Cell Titer-Glo (Promega), according to the manufacturer s protocol, which quantitates ATP levels. Cytotoxicity of the compounds was assessed in parallel non-infected cells. Test compounds are tested either alone or in the presence of the P-glycoprotein (P-gp) inhibitor CP- 100356 at a concentration of 2 &#956;M. The inclusion of CP- 100356 is to assess if the test compounds are being effluxed out of the VeroE6 cells, which have high levels of expression of P-glycoprotein. Percent effect at each concentration of test compound was calculated based on the values for the no virus control wells and virus-containing control wells on each assay plate. The concentration required for a 50% response (EC50) value was determined from these data using a 4-parameter logistic model. EC50 curves were fit to a Hill slope of 3 when >3 and the top dose achieved &#8805; 50% effect. If cytotoxicity was detected at greater than 30% effect, the corresponding concentration data was eliminated from the EC50 determination.For cytotoxicity plates, a percent effect at each concentration of test compound was calculated based on the values for the cell-only control wells and hyamine-containingcontrol wells on each assay plate. The CC50 value was calculated using a 4-parameter logistic model. A Tl was then calculated by dividing the CC50 value by the EC50 value.
10036	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV-2 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA-SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK(DABCYL)-OH. The fluorescence of the cleaved TAMRA (ex. 558 nm / em.581 nm) peptide was measured using a TECAN SAFI RE fluorescence plate reader over the course of 10 min. Typical reaction solutions contained 20 mM HEPES (pH 7.0), 1 mM EDTA, 4.0 uM FRET substrate, 4% DMSO and 0.005% Tween-20. Assays were initiated with the addition of 25 nM SARS 3CLpro (nucleotide sequence 9985-10902 of the Urbani strain of SARS coronavirus complete genome sequence (NCBI accession number AY278741)). Percent inhibition was determined in duplicate at 0.001 mM level of inhibitor. Data was analyzed with the non-linear regression analysis program Kalidagraph using the equation:FU =offset+ (limit)(1- e <kobsH)where offset equals the fluorescence signal of the uncleaved peptide substrate, and limit equals the fluorescence of fully cleaved peptide substrate. The kobs is the first order rate constant for this reaction, and in the absence of any inhibitor represents the utilization of substrate. In an enzyme start reaction which contains an irreversible inhibitors, and where the calculated limit is less than 20% of the theoretical maximum limit, the calculated kobs represents the rate of inactivation of coronavirus 3C protease. The slope (kobs/ 1) of a plot of kobs vs. [I] is a measure of the avidity of the inhibitor for an enzyme. For very fast irreversible inhibitors, kobs/l is calculated from observations at only one or two [I] rather than as a slope.
10036	2	Protection from SARS-CoV-2 Coronavirus Infection	The ability of compounds to protect cells against infection by SARS-CoV-2 is measured by a cell viability assay similar to that described in Weislow, O.S., Kiser, R., Fine, D.L., Bader, J., Shoemaker, R.H., and Boyd, M.R.1989. New Soluble-Formazan Assay for HIV-1 Cytopathic Effects: Application to High-Flux Screening of Synthetic and Natural Products for AIDS-Antiviral Activity. Journal of the National Cancer Institute 81(08): 577-586, utilizing formazan as an endpoint. Briefly, medium containing appropriate concentrations of compound or medium only is added to MRC-5 cells. Cells are infected with human coronavirus SARS-CoV-2 or mock-infected with medium only. One to seven days later, XTI and PMS are added to the test plates and following incubation at 37°C for two hours the amount of formazan produced is quantified spectrophotometrically at 540nm. Data is expressed as the percent of formazan in wells of compound-treated cells compared to formazan in wells of uninfected, compound-free cells. The fifty percent effective concentration (EC50) is calculated as the concentration of compound that increases the percent of formazan production in infected, compound-treated cells to 50% of that produced by uninfected, compound-free cells. The 50% cytotoxicity concentration (CC50) is calculated as the concentration of compound that decreases the percentage of formazan produced in uninfected, compound-treated cells to 50% of that produced in uninfected, compound-free cells. The therapeutic index is calculated by dividing the cytotoxicity (CC50) by the antiviral activity (EC50).
10037	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) assay. The SARS-CoV-2 3CLpro assay measures the activity of full-length SARS-CoV-2 3CL protease to cleave a synthetic fluorogenic substrate peptide with the following sequence: Dabcyl-KTSAVLQ-SGFRKME-Edans modelled on a consensus peptide (V. Grum-Tokars et al. Evaluating the 3C-like protease activity of SARS-coronavirus: recommendations for standardized assays for drug discovery. Virus Research 133 (2008) 63-73). The fluorescence of the cleaved Edans peptide (excitation 340 nm / emission 490 nm) is measured using a fluorescence intensity protocol on a Flexstation reader (Molecular Devices). The fluorescent signal is reduced in the present of PF-835231, a potent inhibitor of SARS-CoV-2 3CLpro. The assay reaction buffer contained 20 mM Tris-HCI (pH 7.3), 100 nM NaCI, 1 mM EDTA and 25 &#956;M peptide substrate. Enzyme reactions were initiated with the addition of 15 nM SARS-CoV-2 3CL protease and allowed to proceed for 60 minutes at 23 °C. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity) and a control compound (100% inhibition/0% activity). ICso values were generated using a four-parameter fit model using ABASE software (I DBS). Ki values were fit to the Morrison equation with the enzyme concentration parameter fixed to 15 nM, the Km parameter fixed to 14 &#956;M and the substrate concentration parameter fixed to 25 &#956;M using ABASE software (I DBS).Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV-2 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA-SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK(DABCYL)-OH. The fluorescence of the cleaved TAMRA (ex. 558 nm / em.581 nm) peptide was measured using a TECAN SAFI RE fluorescence plate reader over the course of 10 min. Typical reaction solutions contained 20 mM HEPES (pH 7.0), 1 mM EDTA, 4.0 mM FRET substrate, 4% DMSO and 0.005% Tween-20. Assays were initiated with the addition of 25 nM SARS 3CLpro (nucleotide sequence 9985-10902 of the Urbani strain of SARS coronavirus complete genome sequence (NCBI accession number AY278741)).
10037	2	Antiviral activity from SARS-CoV-2 infection	The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay format that utilizes luciferase to measure intracellular ATP as an endpoint. In brief, VeroE6 cells that are enriched for hACE2 expression were batched inoculated with SARS-CoV-2 (USA_WA 1/2020) at a multiplicity of infection of 0.002 in a BSL-3 lab. Virus-inoculated cells were then added to assay-ready compound plates at a density of 4,000 cells/well. Following a 3-day incubation, a time at which virus-induced cytopathic effect is 95% in the untreated, infected control conditions, cell viability was evaluated using Cell Titer-Glo (Promega), according to the manufacturer s protocol, which quantitates ATP levels. Cytotoxicity of the compounds was assessed in parallel non-infected cells. Test compounds are tested either alone or in the presence of the P-glycoprotein (P-gp) inhibitor CP- 100356 at a concentration of 2 mM. The inclusion of CP- 100356 is to assess if the test compounds are being effluxed out of the VeroE6 cells, which have high levels of expression of P-glycoprotein. Percent effect at each concentration of test compound was calculated based on the values for the no virus control wells and virus-containing control wells on each assay plate. The concentration required for a 50% response (ECso) value was determined from these data using a 4-parameter logistic model. ECso curves were fit to a Hill slope of 3 when >3 and the top dose achieved 50% effect. If cytotoxicity was detected at greater than 30% effect, the corresponding concentration data was eliminated from the ECso determination.For cytotoxicity plates, a percent effect at each concentration of test compound was calculated based on the values for the cell-only control wells and hyamine-containing control wells on each assay plate. The CCso value was calculated using a 4-parameter logistic model. A Tl was then calculated by dividing the CCso value by the ECso value.
10038	1	Pharmacological Assay	1. Wash each well with 80 microL of assay buffer (20 mM HEPES, 1×HBSS, pH 7.4 adjusted with NaOH) three times and leave 20 microL using plate washer, ELx-405 Select CW (BIO-TEK).2. Add 20 microL of assay buffer containing 2.5 mM probenecid, 0.5 microM Fluo-4-AM (Molecular Probes) and 0.1% Pluronic F-127 to each well.3. Incubate the plate at 37° C. in 5% CO2 for 1 h.4. Wash each well with 80 microL of assay buffer (see below) three times and leave 20 microL using plate washer, ELx-405 Select CW (BIO-TEK).5. Test compounds were prepared at 100× the test concentration in DMSO by serial dilution with Biomek-FX liquid handling instrument. 33× diluted compound solutions in assay buffer were prepared in intermediate compound plate with Biomek-NX liquid handling instrument. A further 3× dilution occurred in below steps 6 and 7.6. Add 20 microL of 33× diluted compound solutions into each well and leave the plate for 10 min under the dark at room temperature.7. Measure activity by FDSS as follows:Set the assay plate on the stacker of FDSS.Start the detection of fluorescence intensity at 540 nm by 480 nm exicitation.After 30 seconds, add 20 microL of assay buffer containing 240 microM BzATP (final concentration 80 microM).
10039	1	AlphaScreen Assay	Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 &#956;M start concentration) in white OptiPlate-384 (PerkinElmer). A mix consisting of 15 nM GST-BRD4-BD1 protein (aa 44-168) or 150 nM GST-BRD4-BD2 (aa 333-460) and 15 nM biotinylated Acetyl-Histone H4 (Lys5, 8, 12, 16) peptide is prepared in assay buffer (50 mM HEPES pH=7.4; 25 mM NaCl; 0.05% Tween 20; 0.1% bovine serum albumin (BSA); 10 mM dithiothreitol (DTT)). 6 &#956;l of the mix is added to the compound dilutions. Subsequently, 6 al of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 jag/ml each) are added and the samples are incubated for 30 min at RT in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.
10040	1	Radiometric Protein Kinase Assay	A radiometric protein kinase assay was used for measuring the kinase activity of the Dog (Canis lupus familiaris) IRAK4, JAK1, JAK2, SYK kinases. All kinase assays were performed in 96-well FlashPlates in a 50 &#956;l reaction volume. The reaction cocktail was pipetted in four steps in the following order:20 &#956;l of assay buffer (standard buffer)5 ml of test compound (in 10% DMSO)20 &#956;l enzyme/substrate mix&#956;l of ATP solution (in H2O) The reaction cocktails were incubated at 30° C. for 60 minutes. The reaction was stopped with 50 &#956;l of 2% (v/v) H3PO4, plates were aspirated and washed two times with 200 &#956;l 0.9% (w/v) NaCl. Incorporation of 33Pi was determined with a microplate scintillation counter.IC50 calculation: the residual activity (in %) for each well of a particular plate was calculated by using the following formula: Res. Activity (%)=100×[(cpm of compound&#8722;low control)/(high control&#8722;low control)]
10041	1	Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were preincubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme and mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times.
10042	1	In Vitro Inhibition Activity	To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isoform complexes &#945;1&#946;1FXYD1, &#945;2&#946;1FXYD1, &#945;2&#946;2FXYD1 and &#945;2&#946;3FXYD1. Although all the preparations and assays were conducted with FXYD1 in order to stabilize the complexes, the FXYD1 suffix is omitted in naming of isoform complexes for simplicity.Na,K-ATPase activity of &#945;/&#946;FXYD1 complexes was measured over one hour at 37° C. in a medium containing 130 mM NaCl, 5 mM KCl, 3 mM MgCl2, 1 mM EGTA, 25 mM Histidine, pH 7.4 and 1 mM ATP using the PiColor Lock gold malachite green assay (Inova Biosciences).The Na,K-ATPase activities were &#945;1&#946;1, 21.5±5.3 moles/min/mg; &#945;2&#946;1, 18.7±1.8 moles/min/mg, and &#945;2&#946;3, 10.7±1.9 moles/min/mg protein. As discussed below, an important kinetic property in relation to inhibition by cardiac glycosides is K0.5 for activation by K: &#945;1&#946;1 1.25±0.05 mM, &#945;2&#946;1 2.7±0.14 mM and &#945;2&#946;3 6.4±0.50 mM, respectively.
10043	1	Enzymatic Assay	0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buffer (1 mM DTT, 0.0025% Brij-35, 50 mM HEPES, pH7.5). D-Pantethine (Sigma, Cat #P2125-5G) in assay buffer is added (final concentration 3 &#956;M) and incubated for additional 30 minutes at room temperature. Total assay volume typically is 40 &#956;l but might be adjusted according to needs. Reaction is stopped by adding equal volume of stop solution as the reaction mixture to reach 100 nM HD-pantothenic acid (as an internal standard) and 1% TFA. Assay plates are centrifuged for 2 minutes and the formation of pantothenic acid is detected by RapidFire Mass Spectrometry (mobile phase A: 0.1% formic acid and 0.01% trifluoroacetic acid in water; mobile phase B: 47.5% acetonitrile, 47.5% methanol, 0.1% formic acid and 0.01% trifluoroacetic acid in water) using a C18, 12 &#956;L cartridge (Agilent Cat #G9205A).
10044	1	SPA Binding Assay	The binding of potential ligands to ROR&#947; is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillation proximity assay (SPA) binding assay. The ligand binding domain of human ROR&#947; (A262-S507) with an N-terminal His tag is expressed in E. coli and purified using nickel affinity chromatography. 15 &#956;g/well ROR&#947; (A262-S507) is incubated with test compound at varying concentrations in 3-fold serial dilution, with final concentrations ranging from 16.6 &#956;M to 0.28 nM for 10 min at room temperature in PBS buffer (Invitrogen #14190-144) containing 0.5% fatty acid free BSA (Gemini Bio-Products, Cat. #700-107P) and 0.1% Glycerol (Sigma Cat # G5516). 10 nM of [3H] 25-hydroxycholesterol is then added, and the reaction is incubated for 10 min. 10 mg/mL of Copper-His Tag-PVT beads (Perkin Elmer cat # RPNQ0095) are added, and the mixture is incubated for 60 min. The reaction is read on a TopCount Microplate scintillation plate reader (Perkin Elmer). The competition data of the test compound over a range of concentrations was plotted as percentage inhibition of radioligand specifically bound in the absence of test compound (percent of total signal). After correcting for non-specific binding, IC50 values were determined.
10045	1	Fluorescence Polarization  Assay	Expression and purification of the BRD4(I) recognition domain: colonies of newly transformed plasmid DNA from E. coli BL21(DE3)-condon plus-RIL cells were cultivated in 50 mL of Terrific Broth medium containing 50 &#956;g/mL kanamycin and 34 &#956;g/mL chloramphenicol at 37° C. overnight (starting culture). The starting culture was then diluted 100-fold in 1 L of fresh TB medium and the cells were grown at 37° C. to an optical density of about 0.8 at OD600 and then the temperature was lowered to 16° C. When the system was equilibrated at 16° C., the optical density at OD600 was approximately 1.2, and protein expression was induced with 0.2 mmol of isopropyl-&#946;-D-thiogalactopyranoside (IPTG) overnight at 16° C. Bacteria were harvested by centrifugation (4000×g, 20 minutes, 4° C.) and stored as a pellet at &#8722;80° C. The cells expressing His 6-tagged protein was resuspend in lysis buffer [50 mmol 4-hydroxyethylpiperazineethanesulfonic acid (HEPES), 25° C., pH 7.5, 500 mmol NaCl, 10 mmol imidazole, 5% glycerol and freshly added 0.5 mmol of tris(2-carboxyethyl)phosphine hydrochloride (TCEP) and 1 mmol of phenylmethanesulfonyl fluoride (PMSF)] and lysed at 4° C. using JN 3000PLUS high pressure homogenizer (JNBIO-Guangzhou, China). The lysate was clarified by centrifugation (12,000×g for 1 hour at 4° C.) and applied to a nickel-nitriloacetate agarose column. The column was washed once with 50 mL of wash buffer containing 30 mmol of imidazole. The protein was eluted using imidazole in an elution buffer in a stepwise elution (100-250 mmol imidazole in 50 mmol HEPES, 25° C., pH 7.5, 500 mmol NaCl, 5% glycerol). All fractions were collected and monitored by SDS-polyacrylamide gel electrophoresis (Bio-Rad Criterion TM Precast Gels, 4-12% Bis-Tris, 1.0 mm, from Bio-Rad, CA). After 1 mmol of dithiothreitol (DTT) was added, the eluted proteins were treated with tobacco plaque virus (TEV) protease overnight at 4° C. to remove the His6 tag. The protein was concentrated and further purified by size exclusion chromatography on a Superdex 75 16/60 HiLoad gel filtration column. The samples were monitored by SDS-polyacrylamide gel electrophoresis and concentrated to 8-10 mg/mL with gel filtration buffer, 10 mmol Hepes pH 7.5, 500 mM NaCl, 1 mmol DTT, and used for protein binding assays and crystallization.
10046	1	Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	1. The compound was formulated to 10 concentrations with a 3-fold gradient with 100% DMSO.2. The solution of the compound in DMSO was added to Dilute Buffer, mixed thoroughly, then transferred to a 96-well plate.3. PD-L1 was diluted with Dilute Buffer, then added to the above 96-well plate.4. PD-1 was diluted with Dilute Buffer and added to the above 96-well plate, which was then incubated at room temperature for 30 minutes.5. A portion of anti-tag1-Eu and a portion of anti-tag2-XL665 were added to Detection Buffer, mixed thoroughly and transferred to the above 96-well plate.6. The mixture in the above 96-well plate was incubated at room temperature for 1 to 24 hours.7. HTRF values were read with Envision.
10047	1	In-Vitro Fluorescence Polarization Assay	The fluorescence polarization assay tests the ability of compounds to inhibit the self-aggregation of &#945;-synuclein peptide fragments. Peptides were incubated for 60 min at room temperature in the presence or absence of test compounds (compound concentrations were 33.3 to 0.3 &#956;M). Samples were read on a BMG Pherastar plate reader in fluorescence polarization mode using excitation at 485 nm and emission at 520 nm. Data was analyzed using a four-parameter logistic fit (XLFit, IDBS Software). Peptide 4F (CTGFVKKDQLGK (SEQ ID NO: 1)) was prepared by American Peptide. Fresh peptide samples were reconstituted in purified water at 5 mM and diluted into 50 mM HEPES pH 7.4 with 50 mM NaCl to 100 nM final concentration. Solid compounds were dissolved in DMSO (10 mM), and then diluted in buffer.
10048	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35.4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID NO. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. 
10049	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kinase activity of a compound of Formula (III). Serial dilutions of test compounds were incubated with either human recombinant FGFR1 (0.5 nM), FGFR2 (0.1 nM, FGFR3 (0.9 nM), or FGFR4 (2 nM), ATP (FGFR1: 100 &#956;M; FGFR2: 75 &#956;M; FGFR3: 120 &#956;M; FGFR4: 250 &#956;M) and a phosphoacceptor peptide substrate FAM-KKKKEEIYFFF-CONH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper LabChip 3000. Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated. 
10050	1	Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 &#956;M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 l/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
10051	1	Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 M PIP2, 2 M ATP, 0.5 Ci [ -33P]ATP, 3.4 nM PI3K . Reactions were incubated for 120 min and terminated by the addition of 40 L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer).
10052	1	Biochemical Assay	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5, 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 50 &#956;l in assay buffer, with histone H2A (5 &#956;M final) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 5 nM and the compounds were allowed to preincubate for 15 to 20 minutes at room temperature. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer) to final concentration of 1 &#956;M. Following a 60 minutes incubation at 30° C., the reaction was stopped by adding 100 &#956;L of 20% TCA. Each reaction was spotted onto filter plate (Multi Screen FB Filter Plate, Millipore), and washed 5 times with PBS buffer, Scintillation fluid was added to the filter plate and read in a scintillation counter.
10053	1	Inhibitory Activity Assay	JAK3 and BTK kinases inhibitory activities were measured for the compounds prepared in the Examples through in vitro analysis on the ADP Glow (Glo) platform.Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase assay kit (Promega, V9071) which were purchased from Promega. Recombinant purified human JAK3 and BTK were diluted with 1× kinase reaction buffer (JAK3: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 uM DTT/BTK: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 2 mM MnCl2 and 50 uM DTT) and added to 96 well plates (JAK3: final concentration of 4 ng per reaction/BTK: final concentration of 8 ng per reaction). The compounds prepared in the previous Examples were treated so as to be finally a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (JAK3: final concentration of 5 uM/BTK: final concentration of 10 uM) and 0.2 ug/uL of Poly(Glu4, Tyr1)peptide (JAK3 and BTK final concentration) in the total 25 uL reactants was added to 96-well plates to initiate enzymatic reaction. After incubation (30° C.) for 1 hour, equivalent volume (25 uL per reaction) of ADP Glo was added and incubated (30° C.) for 40 minutes at room temperature. Then, a kinase detection reagent (50 uL per reaction) was added and incubated (30° C.) for 30 minutes at room temperature. The kinase activity was measured by chemiluminescence according to the instructions of ADP Glo kinase assay kit, and the inhibitory activity of the compounds according to the present invention was calculated.
10054	1	Inhibitory Activity Assay	These assays were carried out at 37° C. under 18 &#956;M dihydrofolic acid concentration.
10055	1	Inhibition of the CD73 Enzyme In Vitro	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.05 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 1 hour at 37° C. before the addition of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776). After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer.
10055	2	Inhibition of the CD73 Enzyme In Vitro	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.05 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 1 hour at 37° C. before the addition of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776). After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer. The concentration of inorganic phosphate was determined using a phosphate standard curve.
10056	1	Human LOXL2 Amine Oxidase Activity Assay	LOXL2 amine oxidase activity is evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media is incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 ul of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;l of Amplex Red Mix (8.5 &#956;l Assay Buffer+0.5 &#956;l of 10 mM Amplex Red+1 &#956;l of 500 U/ml Horseradish Peroxidase) are added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence is read in kinetic mode every 2 min for 1 hour at excitation=544 and emission=590. The amine oxidase activity is calculated from the slope of the linear portion of the curve.
10057	1	CBP AlphaScreen Assay	5 nM GST-CBP(1081-1197) and 20 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in 15 &#956;L of buffer containing 50 mM HEPES 7.5, 100 nM NaCl, 1 mM TCEP, and 0.003% Tween-20. After 30 minutes incubation at room temperature, 15 &#956;L of detection buffer (BPS Bio. 33006) containing 7 &#956;g/mL of Glutathione AlphaLisa acceptor beads (Perkin Elmer AL109) and 14 &#956;g/mL of Streptavidin donor beads (Perkin Elmer 676002) was then added to the previous mixture. The reaction was incubated for an additional 2 hours at room temperature, and the AlphaScreen signal was quantified using the Envision Multilabel plate reader. As negative control, GST-CBP(1081-1197) was incubated with the non-acetylated biotin-H4(1-21) peptide(AnaSpec. 62555) and in presence of 0.25% of final DMSO concentration.
10057	2	BRD4 AlphaScreen Assay	The binding of 2.5 nM of BRD4(49-170) to 10 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) was assessed following the same procedure described for the CBP assay. The standard dose response curves were fitted by Genedata Screener software using the variable-slope model:Signal=Signalnegative control+(SignalDMSO control&#8722;Signalnegative control)/(1+(IC50/Dose){circumflex over (&#8195;)}Hill slope).
10058	1	S1P1 Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (Ethylenediaminetetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination.Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA (bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
10058	2	Receptor [35S] GTPgammaS Binding Assays: (S1P1 GTPgammaS/S1P3 GTPgammaS) 	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 &#956;l/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 l/well, final protein 3 &#956;g/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 &#956;M GDP, 0.1% fatty acid free BSA, and 10 &#956;g/ml Saponin to 0.4 nM. 40 &#956;l of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 &#956;l) was added to each well for counting on the Packard TOPCOUNT . EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested. The EC50 for Example 689 was determined to be 5.7 nM in the assay utilizing membranes prepared from S1P1/CHO cells. The EC50 for Example 689 was determined to be >2000 nM in the assay utilizing membranes prepared from EDG3-Gal5-bla HEK293T cells.A smaller value for GTP&#947;S S1P1 EC50 value indicated greater activity for the compound in the GTP&#947;S S1P1 binding assay. A larger value for the GTP&#947;S S1P3 EC50 value indicated less activity in the GTP&#947;S S1P3 binding assay. Example 689, which is the phosphate ester of Example 672, possessed activity as an agonist of S1P1 and is selective over S1P3. Example 697, which is the phosphate ester of Example 681, possessed activity as an agonist of S1P1 and is selective over S1P3. Thus the compounds of the present invention may be used in treating, preventing, or curing various S1P1 receptor-related conditions while reducing or minimizing the side effects due to S1P3 activity. The selectivity of the compounds of the present invention indicate their potential use in treating, preventing, or curing autoimmune and inflammatory diseases such as multiple sclerosis, rheumatoid arthritis, inflammatory bowel disease, lupus, psoriasis, or vascular diseases, while reducing or minimizing possible side effects due to S1P3 activity. Other potential uses of the compounds of the present invention include minimizing or reducing rejection of transplanted organs, while reducing or minimizing side effects due to S1P3 activity.
10059	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5×104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min with on-line recording of fluorescence. Following this pre-incubation step, the agonist L-glutamate was added to the cells at a concentration corresponding to EC20 (typically around 80 &#956;M) with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of glutamate was determined immediately ahead of each experiment by recording of a full dose-response curve of glutamate.Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-glutamate), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-glutamate. Graphs were plotted with the % maximal stimulatory using XLfit, a curve fitting program that iteratively plots the data using Levenburg Marquardt algorithm. The single site competition analysis equation used was y=A+((B&#8722;A)/(1+((x/C)D))), where y is the % maximal stimulatory effect, A is the minimum y, B is the maximum y, C is the EC50, x is the log 10 of the concentration of the competing compound and D is the slope of the curve (the Hill Coefficient). From these curves the EC50 (concentration at which half maximal stimulation was achieved), the Hill coefficient as well as the maximal response in % of the maximal stimulatory effect obtained with saturating concentrations of L-glutamate were calculated.
10059	2	MPEP Binding Assay	For binding experiments, cDNA encoding human mGlu5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and Christensen [Cytotechnology 15:1-13 (1998)]. Cell membrane homogenates were stored at &#8722;80° C. until the day of assay where upon they were thawed and resuspended and polytronised in 15 mM Tris-HCl, 120 mM NaCl, 100 mM KCl, 25 mM CaCl2, 25 mM MgCl2 binding buffer at pH 7.4 to a final assay concentration of 20 &#956;g protein/well.Saturation isotherms were determined by addition of twelve [3H]MPEP concentrations (0.04-100 nM) to these membranes (in a total volume of 200 &#956;l) for 1 h at 4° C. Competition experiments were performed with a fixed concentration of [3H]MPEP (2 nM) and IC50 values of test compounds evaluated using 11 concentrations (0.3-10,000 nM). Incubations were performed for 1 h at 4° C.At the end of the incubation, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filter preincubated 1 h in 0.1% PEI in wash buffer, Packard BioScience, Meriden, Conn.) with a Filtermate 96 harvester (Packard BioScience) and washed 3 times with cold 50 mM Tris-HCl, pH 7.4 buffer. Nonspecific binding was measured in the presence of 10 &#956;M MPEP. The radioactivity on the filter was counted (3 min) on a Packard Top-count microplate scintillation counter with quenching correction after addition of 45 &#956;l of microscint 40 (Canberra Packard S. A., Z rich, Switzerland) and shaking for 20 min.
10060	1	S1P1 Binding Assay	Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (ethylenediamine tetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination.Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin Elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2), 0.5% fatty acid free BSA (bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 &#956;l/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
10060	2	Receptor [35S] GTPgammaS Binding Assays	Compounds were loaded in a 384 Falcon v-bottom plate (0.5 &#956;l/well in an 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal5-bla HEK293T cells (EDG3 equivalent S1P3) were added to the compound plate (40 l/well, final protein 3 &#956;g/well) with MULTIDROP . [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (Dithiothreitol), 10 &#956;M GDP, 0.1% fatty acid free BSA, and 10 &#956;g/ml Saponin to 0.4 nM. 40 &#956;l of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 &#956;l) was added to each well for counting on the Packard TOPCOUNT . EC50 is defined as the agonist concentration that corresponds to 50% of the Ymax (maximal response) obtained for each individual compound tested.A smaller value for GTP&#947;S S1P1 EC50 value indicated greater activity for the compound in the GTP&#947;S S1P1 binding assay. Thus the compounds of the present invention may be used in treating, preventing, or curing various S1P1 receptor-related conditions. The compounds have potential use in treating, preventing, or curing autoimmune and inflammatory diseases such as multiple sclerosis, rheumatoid arthritis, inflammatory bowel disease, lupus, psoriasis, or minimizing or reducing rejection of transplanted organs.
10061	1	In Vitro Comparison of the Effect of Corticosteroids, a ROCK Kinase and Compounds of the Invention on the Inhibition of ROCK-1 Kinase, ROCK-2 Kinase, and TNF-alpha	The TNF&#945; assay quantifies secreted TNF&#945; from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concurrently treated with LPS (as an inducer of inflammation) and a titration of test molecules or control compounds for 4 hrs. After the incubation period, the media was harvested and assayed via an ELISA assay. ODs of experimental samples are fit to those of a standard curve to extrapolate the TNF&#945; concentration. IC50 values were calculated by fitting a curve to experimental values with the controls as the top and bottom limits of the curve.
10062	1	Nitric Oxide Suppression Assay	RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND 96 well plates (Corning, N.Y.) in a total volume of 100 &#956;L. The next day, pre-treat cells with compounds (from 3 &#956;M to 0.3 nM serially diluted in a 10 point curve) from a 10× stock by adding 10 &#956;L per well in complete DMEM media containing 10% fetal calf serum. The plates were centrifuged for 3 minutes at 400×g at room temperature followed by 2 hour incubation at 37° C. The cells were then incubated overnight at 37° C. with 10 &#956;L of the insult, interferon gamma (R&D Systems, Minneapolis, Minn.), from a 10× stock for a final concentration of 20 ng/mL. The plates were centrifuged for 3 minutes at 400×g at room temperature followed by 18 hour incubation at 37° C. The following day, transfer 50 &#956;L cell culture supernatant from each well into a clear bottom 96 well plate and follow the instructions from Promega&#39;s Griess Detection Kit #G2930 (Madison, Wis.) which involves the addition of 50 &#956;L of the provided sulfanilamide solution for a 5-10 minute incubation at room temperature. Next add 50 &#956;L of the provided N-1-napthylethylenediamine dihydrochloride (NED) solution for a 5-10 minute incubation at room temperature and protected from light. If any air bubbles were introduced into the well, the plates need to be centrifuged for 5 minutes at 400×g at room temperature to avoid interference with absorbance readings. The plates were read for absorbance within 30 minutes with a filter between 520 nm and 550 nm.For the ability of compounds to suppress the increase in nitric oxide release, the percent maximal intensity of nitric oxide detected in each well was normalized to that induced by the peak value for 20 ng/mL of interferon gamma alone and plotted against the compound concentration to calculate IC50 values and to control for plate-to-plate variability. Concentration-response data were analyzed using GraphPad Prism (San Diego, Calif.).
10063	1	Human ATX Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid.Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
10063	2	Human Carbonic Anhydrase-II Inhibition Assay	Human carbonic anhydrase II (hCA-II) inhibition was measured by an absorbance method using 4-nitrophenyl acetate (4-NPA) as its substrate. 4-NPA can be catalyzed by active hCA II via a zinc-hydroxide mechanism. The nitrophenolate in the products can be ionized to generate a bright yellow anion with high absorbance at 348 to 400 nm, as reported in the literature (Armstrong et al., J. Biol. Chem. 1966, 241, 5137-5149). OD340 nm was chosen for detecting hCA II substrate conversion.Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/mL BSA, pH 7.5;Enzyme solution: hCA-II (human, full length) stock solution (1.0 mg/mL in 20 mM HEPES, 50 mM NaCl, pH 7.4), diluted to 2133× final concentration in assay buffer;4-NPA substrate solution: 4-NPA substrate stock solution (250 mM in DMSO, stored at &#8722;20° C.), diluted to 50× final concentration in deionized water.Test compounds (10 mM stock in DMSO, 100 &#956;L) were obtained in 96-well sample plates (Corning Costar #3655) and diluted to 0.5 mM. Column-wise serial dilutions were made by transferring 20 &#956;L compound solutions to the next column, from column 3 up to 22. After this, 1.2 &#956;L were transferred to 384 well assay plates (Corning Costar #3701). Then 30 &#956;L of 16 nM hCA II solution was added (8 nM final concentration), mixed five times. 30 &#956;L of 4-NPA substrate solution was added (2.5 mM final concentration), mixed five times. Absorbance at 340 nm was then measured immediately as time zero. The assay plates were incubated at room temperature for 1 hour and then measured as time 1 hour (Perkin Elmer EnVision 2103; Filter: Photometric 340; Light intensity 60%; Number of flashes: 10). IC50 values and Ki values were calculated from these readouts.
10064	1	CRBN-DDB1 ligand-displacement AlphaScreen Assay	A thalidomide competition AlphaScreen assay was employed to measure the binding affinity (IC50) of thalidomide conjugates and novel IMiDs to CRBN-DDB1. In 384-well AlphaPlates (Perkin Elmer), 50 nM CRBN-DDB1 and 125 nM biotin-thalidomide were diluted in 20 uL assay buffer (50 mM HEPES pH 7.4, 200 mM NaCl, 1 mM TCEP, and 0.1% BSA) containing competitor compound or DMSO. Following a 30 min incubation, 20 uL detection solution containing Streptavidin Donor Beads and Nickel Chelate AlphaLISA Acceptor Beads diluted to 20 ng/uL in assay buffer was added to each well. After 1 hr incubation at RT, luminescence was measured on the Envision 2104 plate reader. Percent activity values were calculated by setting the average background (no protein wells) to 0% the average DMSO wells to 100% activity. Standard deviations were determined from at least four replicate measurements for compound concentration. Data were analyzed and plotted using GraphPad PRISM v6 and CRBN Alpha IC50 values were determined using the log(inhibitor) vs normalized response&#8722;variable slope analysis module.
10064	2	CRBN-DDB1/BRD4 Dimerization Assay	AlphaScreen technology was used to detect CRBN-DDB1/BRD4 dimerization induced by dBET molecules. In brief, GST-BRD4[49-170] (Sigma Aldrich) and CRBN-DDB1 (6×HIS-tagged) were diluted to 125 nM and 250 nM, respectively, in assay buffer (50 mM HEPES pH 7.4, 200 mM NaCl, 1 mM TCEP, and 0.1% BSA), and 20 uL of protein mixture was added to each well of a 384-well AlphaPlate (PerkinElmer). Compounds were then added at 100 nL per well from DMSO stock plates using a Janus Workstation (PerkinElmer). After 1 hr incubation at room temperature, Nickel Chelate AlphaLISA Acceptor and Glutathione AlphaLISA Donor beads (PerkinElmer) were diluted in assay buffer to a 2× concentration (20 ng/ul) and added at 20 uL per well. Plates were incubated for 1 hr at room temperature prior to luminescence detection on an Envision 2104 plate reader (PerkinElmer). For competition assays, GST-BRD4[49-170] and CRBN-DDB1 were diluted as above in the presence of 111 nM dBET1. Compound addition and subsequent detection was performed as described above.Data were analyzed and plotted using GraphPad PRISM v6.
10065	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10066	1	Assay for Determining the Activity of the Example Compounds of the Present Invention on EZH2 Enzyme (A677G Mutant or Y641F Mutant)	The activity of EZH2 enzyme (with A677G mutant or Y641F mutant) was tested by the following method.The method was used to determine the inhibitory effect of the compounds of the present invention on the activity of EZH2-A677G mutant or EZH2-Y641F mutant. 1. Experimental materials and instruments(1). EZH2-A677G (BPS Bioscience)(2). EZH2-Y641F (BPS Bioscience)(3). Histone H3 biotin labeling (AnaSpec)(4). S-adenosyl methionine (abbreviated as SAM, Sigma)(5). Histone H3K27 Me3 monoclonal antibody (Cisbio)(6). Streptavidin-XL665 (Cisbio)(7). HTRF detection buffer (Cisbio)(8). Multi-functional microplate reader (Tecan)2. Experimental ProcedureEZH2-A677G (or EZH2-Y641F) mutant was diluted to a concentration of 15 ng/&#956;l by using a kinase buffer (5× buffer: 5 mg/ml BSA, 150 mM Tris-Cl, 100 mM MgCl2) and added to a 384-well microtiter plate at 2 &#956;l/well. Histone H3 biotin labeling and S-adenosyl methionine were respectively diluted to 50 nM and 50 &#956;M with a kinase buffer, then added to a 384-well plate at 4 &#956;l/well. The test compound was diluted with a kinase buffer (it was diluted from the highest concentration 30 &#956;M in 10 fold concentration gradient to 7 concentration points), then added to the 384-well microtiter plate at 4 &#956;l/well. The plate was incubated at room temperature for 2 hours. Histone H3K27 Me3 monoclonal antibody and Streptavidin-XL665 were diluted to 30 nM and 500 nM by HTRF detection buffer, then added to the 384-well microplate at 10 &#956;l/well and incubated for 1 hour. A well without an EZH2 enzyme and a compound was used as a negative control, and a well with an EZH2 enzyme but without a compound was used as a positive control. The fluorescent values were read on a multi-functional microplate reader at a emission wavelength of 620 nM and 665 nM. The compound logarithm concentration vs the inhibition percentage relative to the positive control well was plotted using GraphPad Prism, then the IC50 values were calculated.
10067	1	Inhibition Assay	Specific high-throughput screening assays were developed for KHK-C and KHK-A using recombinant proteins. Purified human recombinant KHK-C and KHK-A were produced using the Bio-Rad Profinity eXact Fusion-Tag System and Profinia protein purification instrument. The assays consist of a 3-step, coupled-enzyme process involving fructokinase (KHK), pyruvate kinase (PK) and lactate dehydrogenase (LDH). 1,2 The disappearance of NADH is measured kinetically by A340 at 37 ° C. The enzymatic assay was carried out in a total reaction volume of 200 ul containing 50 mM PIPES, 6 mM MgCl2, 100 mM KCl, 100 uM-5 mM ATP, 2 mM phosphoenolpyruvate, 0.3 mM NADH, 15 U of pyruvate kinase, 15 U of lactate dehydrogenase, and 75-1000 ng KHKC. 1 mM fructose was added to the reactions, except for the no fructose controls which utilized water. The high-throughput assay was used to identify inhibitors that have an IC50 value <5 M for KHK-C.5 The &#39;559 pub also sets forth a KHK assay for testing inhibition activity of potential KHK inhibitors.
10068	1	Biological Assay	CHO-K1 cells stably transfected with ROR t are maintained in MEM-EBS with 5% FBS, 1% penicillin streptomycin solution and 1 mg/mL G418. The cells are seeded at a density of 200000 cells/mL in white 96 well flat bottom plate. Post 16-18 hours incubation, the cells are transiently transfected with pFR Luc (50 ng/well DNA) for four hours. The cells are then treated with different doses of the test compounds in MEM EBS media with 10% FBS and 1% penicillin streptomycin. DMSO is used as vehicle control. After 18-20 hours treatment, the cells are lysed with lysis buffer (40 mM HEPES, 20 mM EGTA, 50 mM -glycerophosphate, 10% glycerol and 1% Triton X-100 in distilled water) for 0.5 hour and luminescence is read using Tecan Safire reader at 1000 milli second integration time.
10069	1	In Vitro Enzyme Inhibition Assay - LSD-1	This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number 060341) was purchased from Active Motif (Cat #31334).The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
10070	1	Biochemical Assay	Enzyme: MAT2AhMAT2A: 50 nM, Cepter, 10 mg/mL (234 &#956;M), amino acids 1-395Substrates: 500 uM eachReaction time: 1 hourL-methionine Substrate: Alfa Aesar catalog #J61904ATP Substrate: Alfa Aesar cat #J60336Malachite Green Detection Reagent: Millipore Sigma catalog #MAK307-1KTAssay buffer: 50 mM Tris, pH 7.5/50 mM KCl/10 mM MgCl2/0.01% Brij-35/1 mM DTT/0.1% BGGTemperature: 23° C.Total volume: 20 &#956;LControls:0% inhibition control: DMSO100% inhibition control: No enzymeProcedure:5 &#956;L of 3×final concentration test compounds in DMSO or DMSO were transferred to the appropriate wells of a microtiter plate and the plate was centrifuged at 1000 rpm for 1 minute. 5 &#956;L of 3×final concentration MAT2A enzyme in assay buffer or assay buffer alone was transferred to the appropriate wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was incubated at room temperature for 15 minutes and then 5 &#956;L of 3×the L-methionine and ATP substrate mixture in assay buffer was transferred to all the test wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 5 &#956;L of malachite green detection reagent was added to all the test wells and the plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 30 minutes. The plate was read for absorbance at 620 nm on a plate reader (e.g., Infinite M1000). The high control (DMSO) with high absorbance represents no inhibition of enzymatic reaction while the low control (no enzyme) with low absorbance represents full inhibition of enzymatic reaction.
10071	1	Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBz and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
10072	1	Biological Activity Assay	1. Experimental MaterialsEnzyme: Coagulation Factor XIa protease (Abcam, Art. No ab62411)Substrate: Coagulation Factor XIa specific substrate (HYPHEN1310 med, Art. No. Biophen cs-21(66))Buffer: 100 mM tris-HCl, 200 mM NaCl, 0.02% Tween20, pH 7.42. Experimental Procedure20 mM of test compound dissolved in 100% DMSO was diluted to 200, 20, 2, 0.2, 0.02, 0.002 &#956;M with 100% DMSO; 1 &#956;l of the compound was added to each well in a 384-well plate, blank and control wells were replaced with DMSO. The plate was centrifuged to remove the compound to the bottom, 10 &#956;l (2.5 &#956;g/ml) of FXIa enzyme solution was added to each well, and 10 &#956;l of buffer was added to the blank well. The plate was centrifuged to remove the enzyme solution to the bottom.Finally, 10 &#956;l of 2 mM substrate were added to each well, and the plate was centrifuged to remove the substrate solution to the bottom.
10073	1	Inhibitory Activity In Vitro Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10073	2	Inhibitory Activity In Vitro Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10074	1	In Vitro Assay	CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
10074	2	In Vitro Assay	CHO cells expressing human CB1 R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
10075	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). Excitation 540 nm; Emission 590 nm.
10076	1	Alphascreen Assay	Assays are carried out at room temperature in 50 mM HEPES, pH 7.4, 5 mM MgCl2, 50 mM NaCl, 5 mM DTT and CHAPS 0.04%. Reactions are initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 1.2 nM PI3K&#948; are incubated for 20 minutes. 10 &#956;L of reaction mixture are then transferred to 5 &#956;L 50 nM biotinylated I(1,3,4,5)P4 in quench buffer: 50 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 5 mM DTT, 0.1% Tween-20, followed with the addition of 10 &#956;L AlphaScreen donor and acceptor beads suspended in quench buffer containing 25 nM PI(3,4,5)P3 detector protein. The final concentration of both donor and acceptor beads is 20 mg/ml. After plate sealing, the plate are incubated in a dark location at room temperature for 2 hours. The activity of the product is determined on Fusion-alpha microplate reader (Perkin-Elmer.
10077	1	Inhibitory Activity Assay	Specifically, the inhibitory activities of JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase assay kit (Promega, V9071) which were purchased from Promega. Recombinant purified human JAK3 and BTK were diluted with 1× kinase reaction buffer (JAK3: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 uM DTT/BTK: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 2 mM MnCl2 and 50 uM DTT) and added to a 96 well plate (JAK3: final concentration of 4 ng per reaction/BTK: final concentration of 8 ng per reaction). The compounds were treated so as to be finally a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (JAK3: final concentration of 5 uM/BTK: final concentration of 10 uM) and 0.2 ug/uL of Poly(Glu4, Tyr1)peptide (JAK3 and BTK final concentration) in the total 25 uL reactants was added to a 96-well plate to initiate enzymatic reaction. After incubation (30° C.) for 1 hour, equivalent volume (25 uL per reaction) of ADP Glo was added and incubated (30° C.) for 40 minutes at room temperature. Then, a kinase detection reagent (50 uL per reaction) was added and incubated (30° C.) for 30 minutes at room temperature.
10078	1	Inhibitory Assay	BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, France). ATP (adenosine triphosphate), BTK, peptide (biotin-Aca-AAAEEIYGEI-NH2) and each compound of examples of the invention were mixed, followed by reaction for 30 minutes. Then, EDTA (ethylenediaminetetraacetic acid) was added thereto in order to terminate the reaction. At this time, the EDTA solution contained curopium-containing antibody (antiphosphoresidue antibody) and straptavidin-XL665 (SA-XL665, Cisbio). After incubation for 1 hour, fluorescence was measured. The emission values of 665 nm and 620 nm excited at 337 nm were measured with Envision reader.
10079	1	Various Assay	This is a review article.  Please point to the original journal.
10080	1	In vitro assay (SARS-CoV-2 M proenzymatic assay)	he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ&#8214;SGFRKME- (Edans) was synthesized by Genscript. The assay buffer contained 20 mM of Tris-HCl (pH=7.3) , 100 mM of NaCl, 1 mM of EDTA, 5 mM of TCEP and 0.1%BSA. The final concentrations of the M pro protein and substrate were 25 nM and 25 &#956;M, respectively, in the M PRO enzymatic assay. Reference compound GC376 was provided by WuXi AppTec and was included in each plate to ensure assay robustness. Test compounds were tested at single dose or 10 doses titration, in duplicate. Compounds were added to an assay plate (384w format) using ECHO, in duplicate wells. The final concentration is 10 &#956;M for the single dose experiment. As for the full dose response experiment, samples were 3-fold serially diluted starting from 25uM for 10 doses and added to an assay plate, in duplicate wells. The final concentrations (&#956;M) of each compound was 25, 8.33, 2.778, 0.926, 0.309, 0.103, 0.034, 0.011, 0.0038, and 0.0013. M PRO protein (25 &#956;L, 30 nM) was added to an assay plate containing test compounds using a Multidrop. The test compound and M PRO protein were pre-incubated at RT for 30 min. Then, substrate (5 &#956;L, 150 &#956;M) was added to an assay plate. For 100%inhibition controls (HPE, high percent effect) , 1 &#956;M of GC376 was added. For no inhibition controls (ZPE, zero percent effect) , the same volume of DMSO was added. The final DMSO concentration was 1%.Each activity testing point had a relevant background control without the enzyme to remove the fluorescence interference of the compound. After 60 min incubation at 30 &#8451;, the fluorescence signal (RFU) was detected using a microplate reader M2e (SpectraMax) at E x/E m=340nm/490nm.
10081	1	BiaCore assay	&#946;-sectretase inhibitor IV from Calbiochem (cat #565788).
10082	1	Binding Assay	The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of the molecule to bind to the respective receptors. The Ki described in the results is the dissociation constant and measures the affinity of a non-radioactive test compound for the receptor. The IC50 shows the concentration of the substance required for achieving 50% inhibition of the receptors. Kd shows the affinity of the radio ligand to the receptor. Receptor inhibition is measured by the % of inhibition a binding specific control. Recombinant human cells (CHO-derived) and [1251]2-iodomelatonin compound labeling were used followed by incubation and detection at concentration of 0.01-0.05 nM by Scintillation Count, with Kd 0.04 nM and 0.085 nM, respectively. Incubation was performed for 60-120 min at 37° C.
10083	1	SHMT1 and SHMT2 Activity Assays	Full length human cytosolic Serine Hydroxymethyl transferase 1 (SHMT1, residues 1-483 in Uniport ID P34896) was expressed as an N-terminal His6 tagged protein and purified in E. coli using nickel capture followed by size-exclusion chromatography. Human mitochondrial SHMT2 (residues 30-504 in Uniprot ID P34897) with mitochondrial leader sequence deleted was expressed as an N-terminal His6 tagged protein and purified in E. coli using nickel capture followed by size-exclusion chromatography.Serine hydroxymethyltransferases catalyze the reversible hydroxymethylation of glycine to serine, with methylene tetrahydrofolate (CH2-THF) providing the additional carbon. SHMT1 and SHMT2 activity was determined by measuring serine production from glycine and CH2-THF using mass spectroscopy. Briefly, 15 ul of 0.5 mM glycine and 0.2 mM CH2-THF in 20 mM TEA, pH8.0, 0.2 mM NADPH were added to 384 well plate containing 0, 0.05 mM, 0.005 mM or 0.0005 mM of inhibitor. 15 ul of SHMT1 or 2 were added to initiate the reaction. The plate was incubated for 60 minutes at room temperature and the reaction was quenched by the addition of 30 ul of 10% trichloroacetic acid. Serine produced was analyzed using Rapidfire 360 and API4000+ in the positive ion mode.
10084	1	Electrophysiology	Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly superfused by a solution containing (in mM) NaCl 90, KCl 1, HEPES 5, MgCl2 1, CaCl2 1 (pH 7.4). Oocytes were impaled by two glass microelectrodes (resistance: 0.4 M&#937;) which were filled with a solution containing KCl 1M+K-acetate 1.5 M and voltage-clamped to &#8722;80 mV. The recordings were performed at room temperature using the Roboocyte two-electrode voltage clamp system (Multichannelsystem). After an initial equilibration period of 1.5 min GABA was added for 1.5 min at a concentration evoking approximately 20% of a maximal current response (EC20). After another rest interval of 2.5 min GABA was again added evoking a response of similar amplitude and shape. 0.5 min after the onset of this second GABA application the test compound, at a concentration corresponding to approximatively 30 fold its Ki, was added while GABA was still present. Current traces were recorded at a digitization rate of 10 Hz during and shortly before and after the GABA application.
10085	1	Kinase Activity Assay	In some embodiments, the subject compounds inhibit a P14-kinase, as determined by a kinase activity assay, e.g., by an assay that determines the level of incorporation of radiolabeled phosphate from [&#947;-32P]-ATP into a substrate molecule after treatment with a subject compound, relative to a control, by measuring the beta-particle emission rate using a scintillation counter or phosphorimaging. In certain embodiments, the subject compounds have an IC50 value for PI4K-III&#946; of less than about 1 &#956;M, less than about 0.2 &#956;M, less than about 0.1 &#956;M, less than about 10 nM, less than about 1 nM, or even less, such as described in Tables 2-3. In certain embodiments, the subject compounds have an IC50 value for PI4K-III&#945; of less than about 50 &#956;M, less than about 10 &#956;M, less than about 1 &#956;M, less than about 0.1 &#956;M, less than about 10 nM, less than about 1 nM, or even less, such as described in Tables 2-3. In certain further embodiments, the subject compounds have an IC50 value for PI4K-III&#946; of 50 &#956;M or less, [etc., etc.], 10 nM or less, 6 nM or less, or even less, such as described in Tables 2-3. In certain further embodiments, the subject compounds have an IC50 value for the PI3-kinase p110&#945;-p85 complex of between about 8 and about 10 nM, between about 8 &#956;M and about 10 &#956;M, or even more.
10086	1	Fluorescence Polarization Assay	The fluorescence polarization assay tests the ability of compounds to inhibit the self-aggregation of &#945;-synuclein peptide fragments. Peptides were incubated for 120 min at room temperature in the presence or absence of test compounds (compound concentrations were 33.3 to 0.015 &#9633;M). Samples were read on a Beckman Coulter DTX 880 plate reader in fluorescence polarization mode using excitation at 485 nm and emission at 520 nm. Data was analyzed using a four-parameter logistic fit (XLFit, IDBS Software). Peptide 4F (CTGFVKKDQLGK (SEQ ID NO: 1)) was prepared by American Peptide. Fresh peptide samples were reconstituted in purified water at 5 mM and diluted into 50 mM HEPES pH 7.4 with 50 mM NaCl to 100 nM final concentration. Solid compounds were dissolved in DMSO (10 mM), and then diluted serially in DMSO (300×) followed by dilution in buffer (1×) to provide solutions with a consistent final DMSO concentration of 0.33%. 
10087	1	Kinase Inhibitory Activity Assay	 1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/&#956;l kinase stock solution and the 1× kinase reaction buffer. 1.2.3 Preparation of the test compound solution and control LY2835219 solution: (1) Preparation of control LY2835219 solution a. 1 &#956;l of 10 mM standard substance stock solution was taken and added to 9 &#956;l of kinase reaction buffer I and mixed well; then 90 &#956;l of kinase reaction buffer I was added and mixed well; then 100 &#956;l of kinase reaction buffer I was added and mixed well. The final concentration was 50 &#956;M. b. 40 &#956;l of kinase reaction buffer II was added into B2 to B10 of a 96-well plate, and 50 &#956;l of the above solution was added into B1; c. 10 &#956;l of solution was taken from well B1, added into B2, and mixed well; then 10 &#956;l of the resulting solution was taken and added into B3, and dilution was carried out in sequence to B9, so as to obtain control solutions that are diluted by 5-fold sequentially. (2) Preparation of test compound solution: a. Test compound solutions at a certain concentration were taken, respectively, diluted with kinase reaction buffer I to a final concentration of 50 &#956;M compound solution; b. 40 &#956;l of kinase reaction buffer II was added into H2 to H10 of the 96-well plate; and 50 &#956;l of the above solution was added into H1; c. 10 &#956;l of solution was taken from well H1, added into H2, and mixed well; then 10 &#956;l of the resulting solution was taken and added into H3, and dilution was carried out in sequence to H9, so as to obtain test compound solutions that are diluted by 5-fold sequentially. 1.2.4 Preparation of a mixed solution of reaction substrate and ATP: a. Preparation of ATP solution: 200 &#956;l of 0.1 mM ATP solution: 2 &#956;l of 10 mM ATP was added to 198 &#956;l of kinase reaction buffer I; 300 &#956;l of 50 &#956;M ATP solution: 150 &#956;l of kinase reaction buffer I was added to 150 &#956;l of the above 0.1 mM ATP solution; b. Preparation of 300 &#956;l of reaction substrate solution: 150 &#956;l 1 &#956;g/&#956;l reaction substrate stock solution was added to 150 &#956;l kinase reaction buffer I, and mixed well; c. The above a/b solutions were mixed to obtain mixed solutions, respectively.
10088	1	Ligand Binding Assay	The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (LanthaScreen, Thermofisher Cat #PV4833). The purified ligand binding domain of human FXR tagged with GST (glutathiones-S-transferase) is incubated with a terbium labelled anti-GLT antibody and a fluorescein-labelled SRC2-2 peptide (LKEKHKILHRLLQDSSSPV (SEQ ID No.: 1)). Binding of FXR ligands to the FXR ligand binding domain promotes binding of the fluorescein-labelled SRC2-2 peptide. This causes a FRET signal between the terbium-labelled anti-GST antibody and the fluorescein-labelled SRC peptide which are both bound to the FXR ligand binding domain.Test compounds are dissolved in DMSO and a 3-fold serial dilution series is generated, then further diluted into assay buffer. The compounds are mixed with 5 nM GST-tagged FXR ligand binding domain, 5 nM Tb-labelled anti-GST antibody and 500 nM fluorcscein-labelled SRC2-2 peptide in a pH 7.4 buffer. The reaction is incubated at room temperature for 1 hour, then the FRET signal is measured as the ratio of the 520 nm/495 nm emission following excitation at 340 nm. 
10089	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). 
10090	1	Biochemical Kinase Inhibition Assay	Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D1 (Life Technologies PV4204) was diluted in kinase buffer (20 mM Tris pH 7.5, 10 mM MgCl2, 0.01% NP-40, 2 mM DTT), and was incubated with inhibitors at the indicated concentration at room temperature for 30 minutes. The kinase reaction was initiated by adding 1 &#956;g (1.5 &#956;M) of recombinant retinoblastoma protein, 5 &#956;M ATP and 10&#956; Ci &#947;-32P-ATP. The reaction was incubated at 30° C. for 20 minutes, and was terminated by adding 2×Laemmli sample buffer, heated at 95° C. for three minutes, and the resulting solution was dissolved with 12% acrylamide SDS-PAGE and autoradiographed. A densitometer (Bio-Rad) was used to quantify the corresponding phosphorylated substrate protein bands. The resulting density values were plotted as a function of the log drug concentration using Prism 4 Graphpad software, IC50 values were determined by plotting a non-linear regression curve with a variable slope.
10091	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10092	1	Hot Spot HMT assay	Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 &#956;M. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. SAH (S-(5-adenosyl)-L-homocysteine) was used as a positive control for assay validation.An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8.)), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 &#956;l volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 uM S-Adenosyl-L-[methyl-3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter.
10093	1	3CL protease inhibition assay	The 3CL protease inhibition assay was conducted in 384-well plates (Corning 3702). The substance solution (10 mM dimethyl sulfoxide [DMSO] solution) was diluted to 250 µmol/L stepwise with a 3-fold dilution with DMSO. Finally, the solutions were mixed with 20 mmol/L Tris-HCl (pH 7.5) as a compound solution. Ten microliters of compound solution was added manually to each well, then 5 µL of 16 µM substrate in inhibition buffer (2 mM EDTA, 20 mM DTT, 0.02% BSA, and 20 mM Tris-HCl, pH 7.5) was added. The reaction was initiated by adding 5 µL of 12 nM 3CL protease in inhibition buffer and incubated at room temperature for 3 h. The following operations were the same as those described in the biological screening.
10093	2	Cellular Antiviral Activity	Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assessed by monitoring viral RNA in a cell suspension. EC50 values were determined by plotting compound concentration vs inhibition and fitting data with a 4-parameter logistical fit (Model 205, XLfit). EC90 values against HCoV-OC43 were determined from the resulting dose-response curves and calculated with the two-point method.Antiviral activities against SARS-CoV-2 were evaluated using VeroE6/TMPRSS2 cells. VeroE6/TMPRSS2 cells (1.5 × 104/well) suspended in minimum essential medium (MEM) (Thermo Fisher Scientific) supplemented with heat-inactivated 2% FBS were seeded into 96-well plates with diluted compounds in each well. Cells were infected with each SARS-CoV-2 at 30 3000 TCID50/well and cultured at 37°C with 5% CO2 for 3 days or 4 days. Cell viability was assessed using a CellTiter-Glo 2.0 assay (Promega). The CC50 was assessed in the absence of viruses after being cultured for 3 days.Antiviral activities against SARS-CoV and MERS-CoV were evaluated at Hokkaido University using VeroE6/TMPRSS2 cells as previously reported23. VeroE6/TMPRSS2 cells (1.5 × 104/well) suspended in 2% FBS-containing MEM were seeded into 96-well plates with diluted compounds in each well. Cells were infected with each SARS-CoV at 1000 TCID50/well or MERS-CoV 2500 TCID50/well and cultured at 37°C with 5% CO2 for 3 days. Cell viability was assessed via (3-[4,5-dimethyl-2-thiazolyl]-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay (Nacalai Tesque) as previously described26.Antiviral activity against HCoV-229E was evaluated using MRC-5 cells. MRC-5 cells (2.0 × 104/well) suspended in 2% FBS-containing MEM were seeded into 96-well plates and incubated at 37 °C with 5% CO2 overnight. The next day, the cells were infected with HCoV-229E at 1000 TCID50/well and incubated at 37 °C with 5% CO2 for 1 h, followed by removal of the inoculum and added 2% FBS-containing MEM with the diluted compounds. Cells infected with HCoV-229E were incubated at 37 °C with 5% CO2 for 3 days. Cell viability was assessed using a CellTiter-Glo 2.0 assay.Antiviral activity against HCoV-OC43 was evaluated using MRC-5 cells. MRC-5 cells (2.0 × 104/well) suspended in 2% FBS-containing MEM were seeded into 96-well plates and incubated at 37 °C with 5% CO2 overnight. The next day, the cells were infected with HCoV-OC43 at 100 TCID50/well and incubated at 37 °C with 5% CO2 for 1 h, followed by removal of the inoculum and added 2% FBS-containing MEM with the diluted compounds. Cells infected with HCoV-OC43 were incubated at 37 °C with 5% CO2 for 42 h, and viral RNA was extracted from the supernatants using a Quick-RNA Viral Kit (ZYMO RESEARCH, # R1041). Viral RNA was quantified via real-time PCR (Applied Biosystems, QuantStudio 3) with specific primers and probes for HCoV-OC43 detection27.
10094	1	MPO Peroxidation Assay (Amplex Red Assay)	MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen Cat. #A12222) which can be oxidized to the highly fluorescent resorufin. Amplex Red is oxidized by the peroxidase action of MPO to resorufin. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 40 nM H2O2(Sigma #349887) to 100 nL inhibitor in 100% DMSO in a 384 well Perkin Elmer Optiplate. Enzyme and compound were preincubated for ten minutes at rt.After the ten minute preincubation, 25 &#956;L of an Amplex Red mixture containing 200 &#956;M Amplex Red and 10 mM H2O2 was added to the plate. Kinetic determinations were carried out immediately on a Perkin Elmer Envision (15 minute kinetic read, Ex: 535 nm, Em: 590 nm).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) Dwhere A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor.
10094	2	MPO Chlorination Assay (APF Assay)	MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen Cat. #A36003). APF is cleaved by ( OCl) to yield the fluorescent compound fluorescein. Reactions were carried out in 50 &#956;L total volume by adding a 25 &#956;L mixture of 200 pM myeloperoxidase and 120 mM NaCl to 100 nL inhibitor in 100% DMSO in a 384 well, non-binding surface clear bottom plate (Corning #3655). Enzyme, inhibitor, and chloride were preincubated for ten minutes at rt.After the ten minute preincubation, 25 &#956;L of an APF mixture containing 10 mM APF, 120 mM NaCl and 10 &#956;M H2O2 was added to the plate using the internal dispensing system of a Hammatsu FDSS 6000. Kinetic determinations were carried out immediately on the FDSS 6000 (3 minute kinetic read, 1 read every second, ex: 485 nm, em: 535 nm). IC50 values for inhibitors were calculated by taking the slope of the linear portion of the kinetic measurement (20 seconds to 80-120 secs).IC50 values were calculated by determining the slope of the linear portion of the kinetic trace (180-540 secs), and using that calculated slope to determine % inhibition occurring at each concentration of inhibitor using the following equation:Y = A + B - A 1 + ( C / x ) Dwhere A=minimal Y value (activity level of inhibited sample), B=maximal Y value (activity level of uninhibited sample), C=Log IC50, D=Hill Slope, x=concentration of inhibitor.The exemplified Examples disclosed below were tested in the MPO peroxidation assay described above and found to have MPO inhibitory activity. A range of IC50 values of &#8804;10 &#956;M (10000 nM) was observed.
10095	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10096	1	In Vitro Competitive Activity-Based Protein Profiling (Human)	Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or JW912 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49 k software.
10097	1	Enzymatic Inhibition Assay	11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilution plates, sample was transferred to a 384 wells assay plate (#781280, Greiner, Monroe, N.C.) using Labcyte Echo (Sunnyvale, Calif.), or Biosero ATS (San Diego, Calif.). The compounds were tested in duplicate. Column 12 was used for positive controls, and column 24 contained negative controls with no enzyme added. A compound from our internal collection, with inhibitory activity for JAK isoforms, was used as a reference compound. The final concentration of DMSO was &#8804;0.25% in a 20 &#956;L reaction. Assay conditions for each of the proteins are summarized in Table 3. The enzyme reaction was initiated by the addition of 10 &#956;L of enzyme and ATP mixture to 10 &#956;L of substrate solution prepared in reaction buffer (50 mM MOPS pH 7.5, 10 mM MgCl2, 1 mM EDTA, 2 mM DTT, 0.002% Tween-20). The Tyk2 enzyme was pre-incubated with 2 mM ATP for 30 min prior to the reaction initiation. Immediately after the addition of the enzyme to the reaction mixture, the plate was centrifuged at 1000 rpm for 1 minute and incubated at 25° C. for 45 minutes for JAK3 and 90 minutes for JAK1, JAK2 and Tyk2. The reaction was quenched by the addition of 20 &#956;L of 0.5% TFA containing 0.15 &#956;M of internal standard peptide using Multidrop Combi reagent dispenser (Thermo Scientific, Waltham, Mass.). Several wells in column 24 were typically used for the product standard curve. After the quench, the assay plate was centrifuged at 3000 rpm for 3 minutes and sealed with pierceable aluminum foil (Cat#06644-001, Agilent) using a PlateLoc (Agilent Technologies, Santa Clara, Calif.). The plates then were transferred on to the RapidFire for the MS analysis. Compound inhibition was assessed by a decrease of the phosphorylated product levels in sample wells compared to the non-inhibited enzyme reaction.
10098	1	 Activity of Compounds as TLR7 and TLR8 Agonists as Measured in Reporter Cell Assays	The engagement of TLRs by cognate ligands triggers downstream signaling cascades, leading to the activation of NF-&#954;B and other transcription factors which initiate various immunomodulatory effects. The human embryonic kidney cell line, HEK293, is essentially non-responsive to TLR agonists, but ectopic expression of TLRs in these cells allows cognate agonists to activate endogenous NF-&#954;B. Accordingly, the HEK293-TLR-NF-&#954;B inducible reporter system is used to assay TLR agonists. HEK293 cell lines stably expressing human TLR7 or TLR8 together with an NF-&#954;B-driven-secreted alkaline phosphatase (SEAP) reporter were invented at InvivoGen (San Diego, Calif., USA) and used to assess compounds of the present invention for TLR7 and TLR8 agonist activities. Cells were seeded at 2-5×104 cells/well in 96 well plates (200 l/well) and treated with various concentrations of compound (10 &#956;l) for 15-24 hours. SEAP activity was determined by measuring OD at 650 nm; the media used to culture the cell lines contains the reagents required for SEAP detection. The EC50 values in Table 2 are calculated from fitting the dose response of measured SEAP activity for each compound to the following equation: Y=ymax*cnh/(EC50 nh+cnh)+blank where Y is the experimentally measured OD650 at concentration c of test article, blank is the observed OD650 in the absence of TLR7 agonist, ymax is the difference between the measured OD650 in the presence of either 28.5 &#956;M resiquimod or 1.675 &#956;M CL307 and the blank and values of EC50 and nh are determined by nonlinear least squares analysis.
10099	1	Serum Binding Analysis	In order to more properly assess the binding efficacy of the compounds, radioligand binding assays were carried out in the presence of 100% human serum to more accurately reflect the in vivo environment. While observed IC50 values are typically lower than those reported for buffer binding assays, the relevance of the assay for ranking of compound efficacy is enhanced. Target compounds were tested to determine their ability to bind with CXCR7 sites on MCF-7 and/or MDA-MB-435S CXCR7 transfected cells. Efficiency-maximized radioligand binding using filtration protocols as described in Dairaghi D J, et al., HHV8-encoded vMIP-I selectively engages chemokine receptor CCR5. Agonist and antagonist profiles of viral chemokines., J. Biol. Chem. 1999 Jul. 30; 274(31): 21569-74 and Gosling J, et al., Cutting edge: identification of a novel chemokine receptor that binds dendritic cell- and T cell-active chemokines including ELC, SLC, and TECK., J. Immunol. 2000 Mar. 15; 164(6):2851-6 was used.In these assays, MCF-7 and/or MDA-MB-435S cells were interrogated with the target compounds and the ability of these compounds to displace 125 I radiolabeled SDF-1 was assessed using the protocol described in Dairaghi and Gosling. The target compounds were added to the plate to the indicated concentration followed by addition of cells and radiolabeled chemokine (125I SDF-1), both in the following medium (human AB serum with 10 mM HEPES added to stabilize at pH 7.4). All assays were then incubated for 3 hrs at 4° C. with gentle agitation. Following incubation in all binding assays, reactions were aspirated onto PEI-treated GF/B glass filters (Packard) using a cell harvester (Packard) and washed twice (25 mM HEPES, 500 mM NaCl, 1 mM CaCl2, 5 mM MgCl2, adjusted to pH 7.1). Scintillant (MicroScint 10, Packard) was added to the wells, and the filters were counted in a Packard Topcount scintillation counter. Data were analyzed and plotted using GraphPad Prism (GraphPad Software).
10099	2	Buffer Binding Analysis	Target compounds can be tested to determine their ability to bind with CXCR7 sites on MCF-7 and/or MDA-MB-435S CXCR7 transfected cells. Efficiency-maximized radioligand binding using filtration protocols as described in Dairaghi D J, et al., HHV8-encoded vMIP-1 selectively engages chemokine receptor CCR5. Agonist and antagonist profiles of viral chemokines., J. Biol. Chem. 1999 Jul. 30; 274(31): 21569-74 and Gosling J, et al., Cutting edge: identification of a novel chemokine receptor that binds dendritic cell- and T cell-active chemokines including ELC, SLC, and TECK., J. Immunol. 2000 Mar. 15; 164(6):2851-6 was used.In these assays, MCF-7 and/or MDA-MB-435S cells are interrogated with the target compounds and the ability of these compounds to displace 125I radiolabeled SDF-1 assessed using the protocol described in Dairaghi and Gosling. The target compounds are added to the plate to the indicated concentration and were then incubated with cells followed by the addition of radiolabeled chemokine (125I SDF-1) for 3 hr at 4° C. in the following binding medium (25 mM HEPES, 140 mM NaCl, 1 mM CaCl2, 5 mM MgCl2 and 0.2% bovine serum albumin, adjusted to pH 7.1). All assays are then incubated for 3 hrs at 4° C. with gentle agitation. Following incubation in all binding assays, reactions are aspirated onto PEI-treated GF/B glass filters (Packard) using a cell harvester (Packard) and washed twice (25 mM HEPES, 500 mM NaCl, 1 mM CaCl2, 5 mM MgCl2, adjusted to pH 7.1). Scintillant (MicroScint 10, Packard) is added to the wells, and the filters counted in a Packard Topcount scintillation counter. Data are analyzed and plotted using GraphPad Prism (GraphPad Software).
10100	1	NTRK1 Wild Type Assay at 1 mM ATP	In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1-2 aM CSKtide (Tuft&#39;s University or Anaspec; FITC-AHA-KKKKD DIYFFFG-NH2) and 1 mM ATP at 25° C. for 60 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: 1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35 s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
10101	1	Human Orexin 2 Receptor Radioligand Binding Studies	HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in DMEM, 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 1×HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moravek Corporation, specific activity=27 Ci/mmol), diluted to a 20 nM concentration in PBS (5 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-carboxamide, CAS Registry #1089563-88-1). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard). IC50 values (i.e. concentration of unlabelled compound required to compete for 50% of specific binding to the radioligand) were calculated using the GraphPad Prism software (GraphPad Prism Software Inc., San Diego, Calif.) with a fit to a sigmoidal dose-response curve. Apparent Ki values were calculated as Ki=IC50/(1+C/Kd), where C is concentration of radioligand and Kd=2 nM.
10101	2	Human Orexin 1 Receptor Radioligand Binding Studies	Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moravek Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea, CAS Registry #288150-92-5). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-SB674042 diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).IC50 values (i.e. concentration of unlabelled compound required to compete for 50% of specific binding to the radioligand) were calculated using the GraphPad Prism software (GraphPad Prism Software Inc., San Diego, Calif.) with a fit to a sigmoidal dose-response curve. Apparent Ki values were calculated as Ki=IC50/(1+C/Kd), where C is concentration of radioligand and Kd=4 nM.
10102	1	Binding of Compounds to FKBP12	The binding of compounds of the invention to FKBP12 can be determined using the following protocol.General ProtocolThis protocol utilizes Perkin Elmers AlphaLISA technology platform to detect FKBP binders by measuring the inhibition of binding of biotinylated FK506 to FLAG tagged FKBP12.Reagents:10×TBST Buffer (Boston BioProducts IBB-181), Biotinylated FK506 (in-house), FLAG tagged FKBP (in-house); anti-FLAG Donor beads (Perkin Elmer AS103) and Streptavidin Acceptor beads (Perkin Elmer AL125); Compounds in DMSO (in-house), FK506.Equipment:Biotek Synergy2, Janus MTD Head pipettor, Eppendorf Repeat Pipettor Supplies: White 96-well Corning area plates (Cat #3642), 96-well polypropylene full skirt (180 ul) PCR plates, 96-well Viaflow P20 tips for Janus MTD Head pipettor.Experimental Protocol/Description of Assay: Add 20 uL of 12.5 nM FKBP-FLAG working stock to each well of the 96-well plate. Add 1 uL of test compound (100% DMSO) to each well of the plate using the Janus MTD head and P20 tips (except control wells). Add 1 uL of DMSO to negative control wells and 1 uL of 50 uM FK506 solution to positive control wells. In the dark, add 20 uL of combined Donor/Acceptor beads to each well. Incubate in the dark for 30 minutes at room temperature. In the dark, add 10 uL of 5 nM biotinylated FK506 working stock to each well. Incubate in the dark for 60 minutes at room temperature. Protect plate from light until reading on Biotek Synergy2 Plate Reader; Alphalisa 96-well protocol (680 excitation/615 emission).
10102	2	SPR Protocol to Measure Binding of a Compound to FKBP12	This protocol utilizes Surface Plasmon Resonance (SPR) as a method to determine kinetics (KD, Ka, Kd) for the binding of compound (analyte) to immobilized FKBP12 (ligand).Reagents:Compound in 100% DMSO (in-house), 10×HBS-P+ buffer (GE Healthcare BR-1006-71), Assay buffer (1×HBS-P+ buffer, 1% DMSO), 12×HIS tagged FKBP12 (in-house).Equipment:BIACORE X100 (GE Healthcare)Supplies:NTA Sensor chip (GE Healthcare BR-1000-34)Experimental Protocol:Experiments are performed at 25° C. Stock solution of 12×HIS tagged FKBP12 is diluted to 100 nM in assay buffer (1% DMSO final). Approximately 500-600 RU of FKBP12 is immobilized on one of two flow cells of an activated NTA chip. The second flow cell is not activated as a reference for non-specific interaction of the analyte to the sensor chip. Various concentrations of compound (1 nM-1 &#956;M range), serially diluted into the same assay buffer (1% DMSO final), are injected onto the FKBP12 surface and reference surface at a flow rate of 10 &#956;l/min. The surface is regenerated between analyte injections with 350 mM EDTA.Data Fitting:The BiaEvaluation software program is used for data fitting. All data is reference subtracted against both the reference flow cell and a buffer injection. For kinetic analyses, data is locally fit to a 1:1 interaction model.
10103	1	Enzyme-Linked Immunosorbent Assay-ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
10104	1	enzyme-inhibition screening assay	The 16 compounds showing substantial inhibition against TcGlcK at compound concentrations of 20 &#956;M were then examined in a confirmatory assay in which the amino sugar analogues were at a concentration of 20 &#956;M and were tested against the assay&#39;s only coupling enzyme, G6PDH, to verify enzyme activity; the assay was performed in quadruplicate. Since none of the compounds inhibited G6PDH by more than 20%, they all proceeded as on-target confirmed hits (Table 2). These confirmed hits included representatives from all three monosaccharide scaffolds tested (i.e., D-GlcN, D-ManN, and D-GalN).
10105	1	HtrA1 Enzyme Inhibition Assay	Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, whose emission is quenched in the intact peptide.Assay buffer: 500 mM Tris pH 8.0, 200 mM NaCl, 0.025% CHAPS, 0.005% BSGEnzyme: human HtrA1 Cat-PDZ, final concentration 1 nMSubstrate: Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys (SEQ ID NO: 1), final concentration 500 nM (from Innovagen Cat: SP-5076-1, Lot: 89584.02)Mca=(7-Methoxycoumarin-4-yl)acetylDnp=2,4-DinitrophenylFinal volume: 51 &#956;lExcitation 320 nm, emission 390 nmAfter a pre-incubation of the HtrA1 protease for 30 min with compounds, substrate is added to the wells and initial RFU is measured. Upon incubation for 2 hours at RT, the enzymatic activity cleaved the substrate releasing fluorescent Mca-peptide conjugate and the final RFU value is measured. The presence of inhibitors leads to a decreased final RFU.For the analysis &#916;RFU is calculated as RFUend&#8722;RFUstat and then percent inhibition is calculated with the following formula:PCT_Inhibition=100-100*(&#916;RFU compound &#8722;&#916;RFU blank)/(&#916;RFU negctrl &#8722;&#916;RFU blank)whereneg.ctrl is protease with substrate and DMSOblank is as neg. ctrl without proteasecompound is as neg. ctrl with test compounds at desired concentrationThe IC50 is determined using a 4-point Hill-fit equation wherex=concentration of test compoundA=extrapolated value of the curve at effector concentration equals 0B=extrapolated value of the curve at effector concentration equals infiniteC=concentration at the inflection point of the sigmoidal curve (IC50)D=Hill coefficient of slope at the inflection point of the fitted curveY &#8289; ( x ) = A + B - A D 1 + ( C x )As a counter screen the compounds are added to the protease-substrate reaction mix only after 2 h incubation, when all the substrate is turned over, to identify auto-fluorescent or absorbing compounds giving false positive hits.
10106	1	MT-4 HIV Assay	Compounds were tested in a high-throughput 384-well assay format for their ability to inhibit the replication of HIV-1 (IIIB) in MT-4 cells. Compounds were serially diluted (1:3) in DMSO on 384-well polypropylene plates and further diluted 200-fold into complete RPMI media (10% FBS, 1% P/S) using the Biotek Micro Flow and Agilent ECHO acoustic dispenser. Each plate contained up to 8 test compounds, with negative (No Drug Control) and 5 &#956;M AZT positive controls. MT-4 cells were pre-infected with 10 &#956;L of either RPMI (mock-infected) or a fresh 1:250 dilution of an HIV-1 (IIIB) concentrated virus stock. Infected and uninfected MT-4 cells were further diluted in complete RPMI media and added to each plate using a Micro Flow dispenser. After 5 days incubation in a humidified and temperature controlled incubator (37° C.), Cell Titer Glo (Promega) was added to the assay plates to quantify the amount of luciferase. EC50 values were defined as the compound concentration that causes a 50% decrease in luminescence signal, and were calculated using a sigmoidal dose-response model to generate curve fits.
10107	1	Measurement of Brk Inhibitory Activity	Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with the attached manual. Reagents used are described below.Reaction Buffer: A solution containing 50 mmol/L HEPES (pH 7.5), 0.01% Brij 35, 10 mmol/L MgCl2 and 1 mmol/L EGTA was prepared by using purified water.A solution of a test substance (the compound of the present invention): A solution of each concentration of a test compound in DMSO was diluted 20-fold with Reaction Buffer, and a solution containing a test compound at a concentration 5 times a final concentration was prepared.An enzyme solution: A solution containing 480 ng/mL of Brk enzyme was prepared by using Reaction Buffer.A substrate solution: A solution containing 57 &#956;mol/L of ATP and 500 nmol/L of Fluorescein-Poly GT (Invitrogen) was prepared by using Reaction Buffer.A detection solution: A solution containing 20 mmol/L of EDTA and 4 nmol/L of PY20 (Invitrogen) was prepared by using Dilution B (Invitrogen).To a 96-well plate (Nunc), a solution of 10 mmol/L of a test compound in DMSO was dispensed, and further, a dilution series at a common ratio of three was prepared by using DMSO. To each of wells of the 96-well plate for the measurement, 5 &#956;L of Reaction Buffer containing DMSO was added for a blank group and a vehicle group and 5 &#956;L of a test substance solution was added for a test substance group. Next, 10 &#956;L per well of Reaction Buffer was added for the blank group, and 10 &#956;L per well of the enzyme solution was added for the vehicle group and the test compound group, and thereafter, the mixture was stirred at room temperature for 10 minutes. After completion of stirring, 10 &#956;L of the substrate solution was added to each of wells, and the mixture was stirred at room temperature under a shading condition for 1 hour. After completion of the reaction, 25 &#956;L of the detection solution was added to each well, and the mixture was left to stand at room temperature under a shading condition for 30 minutes. After being left standing, fluorescence intensities at 520 nm and 495 nm were measured by using Analyst GT (Molecular Devices, LLC) when being irradiated with an excitation light at 340 nm. The phosphorylation of the artificial substrate was quantified by Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET). With regard to each well, the TR-FRET ratio was calculated by divining the fluorescence signal at 520 run by the fluorescence signal at 495 nm, and the inhibition rate (%) in the test compound group was calculated according to the following Numerical Formula 1.Inhibition rate (%)={1&#8722;(TR-FRET ratio of test compound group&#8722;A)/(B&#8722;A)}×100&#8195;&#8195;[Numerical Formula 1].
10108	1	PRC2 Enzyme Assays on Peptide Substrates	The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and H3K27me0 peptide or any of the Y641 mutant enzymes and H3K27me2 peptide was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). In all cases, the final concentrations were as follows: wild-type or mutant PRC2 enzyme was 4 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The final concentrations of the rest of the components are indicated in Table 2, below. The assays were stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 h before being washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled peptide bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
10109	1	DENV-2 Antiviral Assay	The antiviral activity of all the compounds of the invention was tested against the DENV-2 16681 strain which was labeled with enhanced green fluorescent protein (eGPF). The culture medium consists of minimal essential medium supplemented with 2% of heat-inactivated fetal calf serum, 0.04% gentamycin (50 mg/mL) and 2 mM of L-glutamine. Vero cells, obtained from ECACC, were suspended in culture medium and 25 &#956;L was added to 384-well plates (2500 cells/well), which already contain the antiviral compounds. Typically, these plates contain a 5-fold serial dilution of 9 dilution steps of the test compound at 200 times the final concentration in 100% DMSO (200 nL). In addition, each compound concentration is tested in quadruplicate (final concentration range: 25 &#956;M-0.000064 &#956;M or 2.5 &#956;M-0.0000064 &#956;M for the most active compounds). Finally, each plate contains wells which are assigned as virus controls (containing cells and virus in the absence of compound), cell controls (containing cells in the absence of virus and compound) and medium controls (containing medium in the absence of cells, virus and compounds). To the wells assigned as medium control, 25 &#956;L of culture medium was added instead of Vero cells. Once the cells are added to the plates, the plates were incubated for 30 minutes at room temperature to allow the cells to distribute evenly within the wells. Next, the plates were incubated in a fully humidified incubator (37° C., 5% CO2) until the next day. Then, DENV-2 strain 16681, labeled with eGFP, was added at a multiplicity of infection (MOI) of 0.5.Therefore, 15 &#956;L of virus suspension was added to all the wells containing test compound and to the wells assigned as virus control. In parallel, 15 &#956;L of culture medium was added to the medium and cell controls. Next, the plates were incubated for 3 days in a fully humidified incubator (37° C., 5% CO2). At the day of the read out, the eGFP fluorescence was measured using an automated fluorescence microscope at 488 nm (blue laser). Using an in-house LIMS system, inhibition dose response curves for each compound were calculated and the half maximal effective concentration (EC50) was determined. Therefore, the percent inhibition (I) for every test concentration is calculated using the following formula: I=100*(ST&#8722;SCC)/(SVC&#8722;SCC); ST, SCC and SVC are the amount of eGFP signal in the test compound, cell control and virus control wells, respectively. The EC50 represents the concentration of a compound at which the virus replication is inhibited with 50%, as measured by a 50% reduction of the eGFP fluorescent intensity compared to the virus control.
10110	1	Human Recombinant Btk Enzyme Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min, the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and no inhibitor controls for 0% inhibition. Dose response curves were generated to determine the concentration required for inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
10111	1	USP30 Biochemical Fluorescence Intensity IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l.Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.001 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555; Boston Biochem) at a final concentration of 100 nM. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). 2 Excitation 487 nm; 2 Emission 535 nm.
10112	1	IDO Enzyme Inhibitory Activity	Firstly, the compound was subject to a 3-fold gradient dilution. 1 &#956;L of each concentration was added to a 96-well plate; 50 &#956;L of the IDO enzyme solution (final concentration 600 ng/100&#956;L) was added: 25 &#956;L of substrate 1 mixture solution was added, 25 &#956;L of substrate 2 mixture solution was added to initiate the reaction. Finally, the plate was read at OD321 nm, 60 min.
10113	1	USP19 Activity Assay	USP19 activity was monitored in a fluorescence polarisation (FP) homogeneous assay using the isopeptide Ubiquitin-Lys-TAMRA substrate (either AUB-101, Almac Sciences Scotland Limited, or U-558, Boston Biochem, both of which gave identical results). Full-length USP19 was purchased from Boston Biochem (E-576). Unless otherwise stated, all other reagents were purchased from Sigma. Enzymatic reactions were conducted in black flat bottom polystyrene 384-well plates (Nunc) and 30 &#956;L total volume. USP19 (2.5 nM, 10 &#956;L) was incubated in assay buffer (50 mM HEPES (pH 7.4), 150 mM NaCl, 5 mM DTT, 0.05% BSA (w/v), 0.05% CHAPS) in the presence or absence of inhibitor (10 &#956;L). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System and serial dilutions were prepared in buffer just prior to the assay (from 200 &#956;M to 2 pM, 8-18 data point curve). Following incubation at RT for 30 min, the enzymatic reactions were initiated by dispensing the Ub substrate (500 nM, 10 &#956;L). FP was measured every 15 min over a period of 90 min (within the linear range of the assay) using a Synergy 4 plate reader (BioTek) exciting at 530 nm and measuring the amount of parallel and perpendicular light at 575 nm. The FP signal was subsequently normalised to the no compound control. Data were plotted and fitted, and the concentrations resulting in 50% inhibition (IC50) were calculated using the non-linear regression curve fitting model using GraphPad (Prism).
10114	1	Pim Enzyme Assays	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA,) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was preincubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM mgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).Compounds of the invention having an IC50 of 2 &#956;M or less when tested for PIM kinase activity under the assay conditions disclosed above are considered active.Although the above in vitro assays are conducted at 1 mM ATP compounds can also be evaluated for potency and in vitro activity against PIM targets utilizing Km conditions, where the concentration of ATP is set to the Km value and the assay is more sensitive to PIM inhibition activity.
10115	1	In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases	Compound of the invention were screened in an in vitro kinase assay against several members of the TGF&#946; family of Ser/Thr kinases. The kinases tested were ALK1 (ACVRL1), ALK2 (ACVR1), ALK3 (BMPR1A), ALK4 (ACVR1B), ALK5 (TGFBR1), and ALK6 (BMPR1B). Standard kinase testing conditions and techniques were employed. For each case, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compound of the invention were delivered into the reaction, followed 15-20 min later by addition of a mixture of ATP and 33P ATP to a final concentration of 10 &#956;M. Reactions were carried out at RT for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper. Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. Kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle.
10116	1	In Vitro Inhibition Assay	EnzymesRecombinant human DPPIV (R&D Systems, Cat. No. 1180-SE)Recombinant human DPP8 (Enzo Life Sciences, Cat. No. BML-SE527)Recombinant human DPP9 (R&D Systems, Cat. No. 5419-SE)Recombinant human DPPII (R&D Systems, Cat. No. 3438-SE)Recombinant human FAP (R&D Systems, Cat. No. 3715-SE)Recombinant human PREP (R&D Systems, Cat. No. 4308-SE)Assay Buffers25 mM Tris, pH 8.0 (DPPIV and DPP9)50 mM Tris, pH 7.5 (DPP8)25 mM MES, pH 6.0 (DPPII)50 mM Tris, 140 mM NaCl, pH 7.5 (FAP)25 mM Tris, 0.25 M NaCl, pH 7.5 (PREP)Substrates4000× substrate solution (100 mM Gly-Pro-AMC (VWR, Cat. No. 100042-646) in DMSO, DPPIV, DPP8 and DPP9)4000× substrate solution (100 mM Lys-Pro-AMC (Bachem, Cat. No. I-1745) in DMSO, DPPII)100× substrate solution (2.5 mM Z-Gly-Pro-AMC (VWR, Cat. No. I-1145.0050BA) in DMSO, FAP and PREP)General MaterialsCompound96-well black clear-bottom plates (Costar, Cat. No. 3603)InstrumentationPlate shakerMolecular Devices SpectraMax M2e microplate readerProtocol1. To prepare the compound for the assay, dissolve it in either DMSO or, if cyclization is suspected, in pH 2.0 water (0.01 N HCl) to a final concentration of 100 mM. For pH 2.0 stocks, incubate at room temperature for a minimum of four hours and up to overnight. From this, prepare a 1 mM stock at pH 7.4 in 50 mM Tris. If the inhibitor is insoluble at this concentration, dilute the 100 mM stock 1:10 to 10 mM. Using this stock, prepare a 0.1 mM stock as described above.2. Prepare a dilution plate for the compound stocks to be tested. Add the 0.1 and/or 1 mM stocks prepared previously to row A of a 96-well plate. From this, perform 1:10 serial dilutions into the appropriate assay buffer down the columns as shown below:3. Prepare 20× substrate solution by diluting the DMSO stocks into the appropriate assay buffer.4. Dilute the enzymes into their appropriate assay buffers. The dilution factor is lot dependent and must be determined prior to performing the assay. The final enzyme concentrations should be 0.1, 0.8, 0.4, 0.2, 1.2, and 0.6 nM for DPPIV, 8, 9, II, FAP and PREP respectively. Add 180 &#956;L to each well needed in columns 2-10.5. Add 20 &#956;L of the compound of interest from the dilution plate prepared in step 2 to columns 2-10 of the assay plate where appropriate. Each sample should be tested in triplicate. Allow this to incubate for 10 minutes at room temperature, shaking the plate for the first two minutes.6. Add 10 &#956;L of 20× substrate prepared in step 3 to each well and allow this to incubate for 15 minutes at room temperature, shaking the plate for the first two minutes.
10117	1	Biochemical Coupled Assay	Recombinant human IDO or TDO was incubated in 50 mM KPO4 (pH 7.0), 0.5 mM EGTA, 0.5 mM EDTA, 0.05% Triton X100, 20 mM ascorbate, 10 &#956;M methylene blue, 500 U/ml catalase, 50 &#956;g/ml KynB (kynurenine formamidase). TDO assays were carried out in the presence of 330 &#956;M L-tryptophan, while IDO assays had the addition of 45 &#956;M L-tryptophan. After incubation for 17 minutes at room temperature the reactions were stopped by the addition of Erhlich&#39;s reagent and incubated at room temperature for 5 minutes before the fluorescence was read.
10117	2	IDO1 Enzyme Assay	HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 &#956;M delta aminolevulinic acid for 48 hours at 16 degrees Celcius. IDO1 protein was purified using Ni2+-affinity resin and size exclusion chromatography. Purified protein was then diluted in assay buffer (50 mM Tris pH 7.0, 1% glycerol, 20 &#956;M methylene blue, 0.05% Tween-20, 20 mM sodium ascorbate, 100 units/mL catalase to obtain a final IDO1 concentration of 40 nM. IDO1 solution (30 &#956;M) or buffer alone (30 &#956;M) were dispensed to wells of the assay plate using a BioRAPTR liquid dispenser (Beckman Coulter). Assay plates containing compound and IDO1 enzyme were incubated at room temperature for 30 minutes. Afterwards, 10 &#956;L of 400 &#956;M tryptophan in assay buffer were added to each well of the assay plate using a BioRAPTR liquid dispenser. Plates were incubated at room temperature for 60 minutes and reactions were quenched by addition of 10 &#956;L of 0.5 M methyl isonipecotate in dimethyl sulfoxide. Plates were sealed and incubated at 37 degrees Celcius for 4 hours or 50 degrees Celcius for 2 hours. The plates are allowed to cool and then centrifuged for 1 minute at 1000×g. The resulting fluoresence was measured in an Envision plate reader (Perkin Elmer) with a 400/25 nm excitation filter and an 510/20 nm emission filter.
10118	1	Omnia Assay Protocol for Potency Assessment Against EGFR (WT) and EGFR (T790M/L858R) Active Enzymes	Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 25° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 71 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).[EGFR-WT]=5 nM, [ATP]=15 uM, [Y12-Sox]=5 uM (ATP KMapp 12 uM); and [EGFR-T790M/L858R]=2.5 nM, [ATP]=20 uM, [Y12-Sox]=5 uM (ATP KMapp 20 uM).
10119	1	Receptor Activity Assay	In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chinese hamster ovary (CHO) cells expressing human OX1R and/or the human OX2R were grown in Iscove&#39;s modified DMEM containing glutaMAX , 1% G418, 100 U/mL penicillin, 100 &#956;g/mL streptomycin and 10% heat-inactivated qualified fetal bovine serum (FBS). The OX2R cells were seeded at 10,000 cells/well/50 L and the OX1R cells were seeded at 20,000 cells/well/50 &#956;L into 384-well white tissue culture plates (Greiner; cat #781080). All cell/media reagents were from GIBCO-Invitrogen Corp. The seeded cell plate(s) were incubated at 37° C. with 5% CO2 and 85% humidity for 20-24 hours. On the day of the assay, assay-ready compound plates were prepared using an acoustic liquid handler (ECHO; Labcyte), which dispensed sufficient volume of test compound stock (10 mM in DMSO) or 100% DMSO to prepare 10 point, -log dilutions in a final volume of 202.5 nL/well in all test wells of a 384-well diamond plate (Labcyte). Following completion of assay-ready plates, importantly, the next three steps were performed with minimal delay: 1) 20 &#956;l of 1× stimulation buffer was added to the compound plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat #24073290); 2) culture medium was removed from the cell plate using the Bluewasher plate washer (gentle spin; BlueCatBio); 3) 14 &#956;l of compound/stimulation buffer mixture was added to the cell plate using a Bravo liquid handler (Agilent) prior to incubating cell plates at 37° C. with 5% CO2 and 85% humidity for 1 or 2 hours (OX1R and OX2R, respectively). During this incubation, IP-one detection reagents were prepared (38:1:1 lysis buffer:D2:AB-cryptate reagents). Six L of mixed detection reagents were added to the cell plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat #24073290) and incubated 60 minutes at room temperature in the dark. Fluorescence signal was detected using an Envision plate reader (Perkin Elmer) [LANCE/DELFIA Dual Enh (Em: APC 665; Ex: Cy5 620)].
10120	1	Enzymatic RAF1 Kinase	Small molecule inhibition of RAF1 kinases was measured using ADP-Glo assay. In the assay, ADP is converted to ATP in the presence of test kinase and substrate, resulting in luciferase reaction and luminescent readout with light generated proportional to the relative kinase activity. Compounds diluted in DMSO were used in 10-point, 3-fold dose curve for both assays. Final concentrations of 3 nM RAF1 (CarnaBio, Cat. 09-125) and 30 nM MEK1 substrate (Millipore, Cat. 14-420) were incubated with 3 &#956;M ATP, 10 mM MgCl2, 0.003% Brij-35, 2 mM DTT, 0.05% BSA, 1 mM EGTA, and 50 mM HEPES for 90 minutes at room temp prior to addition of ADP-Glo reagent (Promega, Cat. V9102) for 40 minutes, and detection reagent for 45 minutes. Luminescence was read on an Envision plate reader (PerkinElmer) and percent remaining activity was used to calculate IC50 using a four-parameter fit model using Dotmatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23). 
10121	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	Principle of the assay: The HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2. The tracer binding is visualized by a monoclonal anti-cAMP antibody labeled with Cryptate. The specific signal (i.e., fluorescence resonance energy transfer, FRET) is inversely proportional to the concentration of unlabeled cAMP in the standard or sample.
10122	1	Microfluidic Off-Chip Mobility Shift Assay Protocol for Potency Assessment Against BTK Enzyme	Briefly, 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2; developed in-house) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM HEPES, pH 7.5, and 10 mM DTT. 5 uL of enzyme buffer and 7.5 uL of ATP/kinKDR peptide substrate mix were added to Matrix (#115304) 384-well, sterile, polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 27° C. Following the incubation period, reactions were stopped by adding 60 uL stop buffer consisting of 100 mM HEPES, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (Caliper Life Sciences, Mountain View, Calif.), 5% DMSO. Stopped reactions were monitored at &#8722;2 PSI, &#8722;3000 V/&#8722;700 V in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, Mass.), and the activity was measured by off-chip mobility shift assay measuring the charge/mass difference between substrate and product resulting from peptide phosphorilation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel. Switzerland).
10122	2	Microfluidic Off-Chip Mobility Shift Assay Protocol for Potency Assessment Against BTK C481S Enzyme	The protocol below describes a microfluidic, off-chip mobility shift kinase assay to measure inherent potency of compounds against BTK C481S enzyme. The mechanics of the assay platform are described by the vendor (PerkinElmer, Hopkinton, Mass.) on their website at the following URL: http://caliperls.com.Briefly, 2.5× stocks of His-TEV-hsBTK(328-659)(C481S) from the Merck Serono Protein Purification Laboratory in Darmstadt, Germany (PCS, Q27/234), 1.6×ATP and appropriate KinKDR peptide substrate (FITC-AHA-EEPLYWSFPAKKK-NH2; Tufts University Core Facility custom synthesis) were prepared in kinase reaction buffer consisting of 25 mM MgCl2, 0.015% Brij-35 (30%), 100 mM HEPES, pH 7.5, and 10 mM DTT.5 uL of enzyme buffer and 7.5 uL of ATP/KinKDR peptide substrate mix were added to Matrix (#4315) 384-well, sterile, flat-bottom polypropylene plates (Thermo Fisher Scientific, Hudson, N.H.) with 125 nL of serially diluted compounds prepared in 100% DMSO, and incubated for 90 min. at 25° C. Following the incubation period, reactions were terminated by adding 65 uL quench buffer consisting of 100 mM HEPES, pH 7.5, 0.015% Brij-35 (30%), 0.277% Coating Reagent #3 (PerkinElmer, Mountain View, Calif.), 5% DMSO. Terminated reactions were monitored at &#8722;2 PSI, &#8722;3000 V/&#8722;700 Volts in a LabChip 3000 plate reader from Caliper Life Sciences, a PerkinElmer Company (Hopkinton, Mass.), and the activity was quantified by laser-induced fluorescence measuring the charge/mass difference between substrate and product resulting from peptide phosphorylation. IC50 and efficacy were determined by plotting log [Inhibitor] vs. % Activity in GeneData Screener (Basel, Switzerland).
10122	3	LCK Biochemical Assay	The standard protocol below describes the standard HotSpot Kinase Assay run by the Reaction Biology Corporation as a service.The substrate (poly(EY) (Glu:Tyr (4:1)) and the cofactors were prepared in fresh Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 2% DMSO). To the substrate solution was then added the enzyme (LCK; recombinant human full-length (Genbank Accession #NP_005347); C-terminal His-tagged, expressed in insect cells), and the resulting solution was then gently mixed. The test compounds were dissolved in DMSO and then delivered into the kinase reaction mixture using acoustic liquid handling technology (Echo550; nanoliter range). The reaction mixture was incubated for 20 min at RT and then treated with 33P-ATP to initiate the reaction. After 2 hours of incubation at RT, kinase activity was detected using Reaction Biology Corporation&#39;s proprietary P81 filter-binding method.
10123	1	Kinase Assay	c-abl: ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(p-aminoethyl ether)-N,N,N&#8242;,N&#8242;-tetraacetic acid (EGTA), triton X-100, 1,4-dithiothreitol (DTT) and dimethyl sulfoxide (DMSO) were purchased from Sigma-Aldrich. HEPES buffer was purchased from Gibco. ABL1 kinase and Abltide were purchased from Signalchem.c-Abl kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/&#956;l) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Abltide (0.01 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (50 mM HEPES, 7.5; 10 mM MgCl2; 1 mM EGTA; 0.05% BSA; 0.01% Triton X-100; 2 mM DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 30-min. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and Sigma Plot 13.0.
10123	2	Kinase Assay	The LRRK2 and LRRK2 G2019S kinase assays were performed using the Adapta technology in ThermoFisher Scientific. This experiment was carried out according to the supplier&#39;s protocol. Briefly, assay conditions were as follows. The mixture of substrate (LRRKtide) and each kinase was prepared in 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. Assays were performed in the presence of 70 &#956;M ATP and 100 &#956;M ATP (KmATP) in LRRK2 and LRRK2 G2019S, respectively. The reaction was progressed at room temperature for 1 hour. Upon completion of kinase reaction, 5 &#956;L of Detection Mix was added and after 60 min incubation time, the emission ratio of 665/615 nm was calculated.
10124	1	Inhibition Assay	LOX: The assay was developed using either 384 or 96 well format. Briefly, in a standard 384 well plate assay 25 &#956;L of a dilution of any of the isoenzymes and orthologues in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were added into each well in the presence of 1 &#956;M mofegiline and 0.5 mM pargyline (to inhibit SSAO and MAO-B and MAO-A, respectively). Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 11 data points, typically in the micromolar or nanomolar range after incubation with the enzyme for 30 min at 37° C. Twenty five &#956;L of a reaction mixture containing twice the KM concentration of putrescine (Sigma Aldrich, e.g. 20 mM for LOX, or 10 mM for LOXL2 and LOXL3), 120 &#956;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were then added to the corresponding wells. The above volumes were doubled in the case of 96 wells plate. The fluorescence (RFU) was read every 2.5 min for 30 min at a range of temperatures from 37° to 45° C., excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics). 
10124	2	Inhibition Assay	Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxidase, copper-containing amine oxidases and related enzymes (Holt A. and Palcic M., A peroxidase-coupled continuous absorbance plate-reader assay for flavin monoamine oxidases, copper-containing amine oxidases and related enzymes. Nat Protoc 2006; 1: 2498-2505). Briefly, a cloned cDNA template corresponding to residues 34-763 of human SSAO/VAP-1, and incorporating a mouse Ig kappa (&#954;) signal sequence, N-terminal flag epitope tag and tobacco etch virus (TEV) cleavage site, was assembled in a mammalian expression vector (pLO-CMV) by Geneart AG. This vector containing human SSAO/VAP-1 residues was transfected into CHO-K1 glycosylation mutant cell line, Lee 8. A clone stably expressing human SSAO/VAP-1 was isolated and cultured in large scale. Active human SSAO/VAP-1 was purified and recovered using immunoaffinity chromatography. This was used as the source for SSAO/VAP-1 activity. A high-throughput colorimetric assay was developed using either 96 or 384 well format. Briefly, in a standard 96 well plate assay 50 &#956;L of purified human SSAO/VAP-1 (0.25 &#956;g/mL) in 0.1 M sodium phosphate buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-11 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37° C. After 30 min incubation, 50 L of the reaction mixture containing 600 &#956;M benzylamine (Sigma Aldrich), 120 M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M sodium phosphate buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37° C. excitation 565 nm and emission 590
10124	3	Inhibition Assay	Mao-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for human SSAO/VAP-1 (Example 66) except, the substrate benzylamine was used at 100 &#956;M. 
10125	1	HotSpot Assay	The HotSpot assay platform was used to measure kinase/inhibitor interactions as described in Anastassiadis et al., Nat Biotechnol. 29:1039-45, 2011. In brief, for each reaction, kinase and substrate were mixed in a buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. Compounds were then added to each reaction mixture. After a 20-min incubation, ATP (Sigma-Aldrich) and [&#947;-33P] ATP (PerkinElmer) were added at a final total concentration of 100 &#956;M. Reactions were carried out at room temperature for 2 h and spotted onto P81 ion exchange cellulose chromatography paper (Whatman). Filter paper was washed in 0.75% phosphoric acid to remove unincorporated ATP. The percent remaining kinase activity relative to a vehicle-containing (DMSO) kinase reaction was calculated for each kinase/inhibitor pair. 
10126	1	Enzyme Inhibition Assay	Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2), 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
10127	1	Enzyme Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 &#956;M ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of 1× Bell Brooks Stop buffer B (20 mM Hepes (ph 7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP1K reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000.
10128	1	Enzyme Methylation Assay	In this assay, the potency (IC50) of each compound was determined from a twenty-point (1:2 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 100 nL of compound (1% DMSO in final assay volume of 10 &#956;L) was dispensed, followed by the addition of 8 &#956;L of 1× assay buffer (50 mM Bicine pH 8.0, 1 mM DTT, 0.004% Tween20, 0.01% BSA) containing 0.5 nM of Full-length (FL)-PRMT5-MEP50 enzyme complex (recombinant proteins from baculovirus-transfected Sf21 cells: FL-PRMT5; MW=73837 kDa and FL-MEP50; MW=38614). Plates were sealed and placed in a 37° C. humidified chamber for 30 minutes pre-incubation with compounds. Subsequently, each reaction was initiated by the addition of 2 &#956;L 1× assay buffer containing 75 nM biotinylated H4R3(Me1) peptide, and 15 &#956;M S-(5&#8242;-Adenosyl)-L-Methionine Chloride (SAM). The final reaction in each well of 10 &#956;L consists of 0.5 nM PRMT5-MEP50, 75 nM biotinylated-peptide, and 15 &#956;M SAM. Methylation reactions were allowed to proceed for 150 minutes in a sealed plate at 37° C. Reactions were immediately quenched by the addition of 1 &#956;L of 10% formic acid. Plates were then frozen and shipped to SAMDI Tech Inc. to determine the percent conversion from K4R3(Me1) to K4R3(Me2). 
10129	1	Inhibition Assay	A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to five-fold gradient dilution for eight times with 100% DMSO with a starting concentration of 200 &#956;M (9 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of a reaction buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 0.1 mM NaVO3, 0.001% Tween-20, 0.01% BSA and 1 mM DTT) and mixed homogeneously to be used as a 4* compound. The reaction buffer was used to formulate 2* TrkA kinase (the final concentration thereof was 1 nM) and 4* substrate (ATP+TK peptide) (TK peptide, HTRF KinEASE -TK, was purchased from Cisbio, and the final concentration of TK peptide was 1 &#956;M, and the final concentration of ATP was 40 &#956;M). 2.5 &#956;L of the 4* compound was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and then 5 &#956;L of the 2* TrkA kinase were added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of the 4* substrate mixture was added to initiate the reaction (the total reaction volume was 10 L). The 384-well plate was placed in an incubator to react for 60 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (HTRF KinEASE -TK, purchased from Cisbio), and L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 1 hr in the incubator, the fluorescence values were read out on Envision (purchased from PerkinElmer). The excitation wavelength was 320 nm, and the emission wavelengths for detection were 665 nm and 620 nm. The enzymatic activity was represented by a ratio of the two readout at the two emission wavelengths. 
10129	2	Inhibition Assay	TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE company). A testing platform for TrkAG667C kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to five-fold gradient dilution with 100% DMSO with a starting concentration of 200 &#956;M (8 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of a reaction buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 0.1 mM NaVO3, 0.001% Tween-20, 0.01% BAS, 1 mM DTT) and mixed homogeneously to be used as a 4* compound. The reaction buffer was used to formulate 2*TrkAG667C kinase (the final concentration thereof was 0.5 nM) and 4* substrate (ATP+TK peptide) (TK peptide, HTRF KinEASE -TK, was purchased from Cisbio, and the final concentration thereof was 1 &#956;M, and the final concentration of ATP was 15 &#956;M) for use. 2.5 &#956;L of the 4* compound was then added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and 5 &#956;L of 2*TrkAG667C kinase was added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of the 4* substrate mixture was added to initiate the reaction (the total reaction volume was 10 &#956;L). The 384-well plate was placed in an incubator to react for 60 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (HTRF KinEASE -TK, purchased from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 60 min in the incubator, the fluorescence values were read out on Envision (purchased from PerkinElmer). The excitation wavelength was 320 nm, and the emission wavelengths for detection were 665 nm and 620 nm. The enzymatic activity was represented by a ratio of the two readout at the two emission wavelengths. The enzymatic activity for each compound was tested at 8 concentrations, and IC50 values of the compounds were obtained by calculating the data using GraFit6.0 software (Erithacus Software).
10129	3	Inhibition Assay	TrkAG595R (Kinase domain) kinase was expressed in Sf9 cells using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE company). A testing platform for TrkAG595R kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the compounds were tested using the platform. The compounds were subjected to five-fold gradient dilution with 100% DMSO with a starting concentration of 200 &#956;M (8 concentrations in total). 4 &#956;L of diluted sample for each concentration was added to 96 &#956;L of a reaction buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 0.1 mM NaVO3, 0.001% Tween-20, 0.01% BAS, 1 mM DTT and 50 nM SEB) and mixed homogeneously to be used as a 4* compound. The reaction buffer was used to formulate 2* TrkAG595R kinases (the final concentration was 0.2 nM) and a 4* substrate (ATP+TK peptide) (TK peptide, HTRF KinEASE -TK, was purchased from Cisbio and the final concentration thereof was 1 &#956;M, and the final concentration of ATP was 5 M) for use. 2.5 &#956;L of the 4* compound was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), and then 5 &#956;L of the 2* TrkAG595R kinases were added, and mixed homogeneously by centrifugation. Then 2.5 &#956;L of the 4* substrate mixture was added to initiate the reaction (the total reaction volume was 10 &#956;L). The 384-well plate was placed in an incubator to react for 120 min at 23° C. Then the reaction was terminated by adding 5 &#956;L of Eu3+ cryptate-labeled anti-phosphotyrosine antibody (HTRF KinEASE -TK, purchased from Cisbio), and 5 &#956;L of Streptavidin-XL-665 (HTRF KinEASE -TK, purchased from Cisbio). After incubated for 60 min in the incubator, the fluorescence values were read out on Envision (purchased from PerkinElmer). The excitation wavelength was 320 nm, and the emission wavelengths for detection were 665 nm and 620 nm. 
10130	1	Omnia Assay	Briefly, a 1.25× stock of MK-2 enzyme from Invitrogen (PV3317), a 5× stock of ATP (AS001A), and ST3-Sox peptide substrate (KNZ1031C) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT. Compound potency assays were initiated by adding a 0.5 &#956;L volume of 100% DMSO and serially diluted compounds prepared in 100% DMSO to a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) followed immediately by 10 &#956;L of the ST3-Sox peptide and ATP substrate solution. Kinase reactions were started with the addition of 40 &#956;L of MK-2 enzyme and monitored every 71 seconds for 30-240 minutes at &#955;ex360/&#955;em485 in a Synergy2, Synergy4 or Synergy H4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to +30 minutes) from each reaction was estimated from the slope of a plot of relative fluorescence units vs time (minutes) and normalized to the no enzyme and no inhibitor control groups for % Inhibition. The resulting % Inhibition values were then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.). Potency results for the compounds tested are shown in Table A in the column entitled MK2 IC50. [Reagent] used:[MK-2]=0.4 nM, [ATP]=1.0 mM and [ST3-Sox]=10 &#956;M (ATP appKM=8-10 &#956;M)
10131	1	In Vitro Electrophysiological Assay	Table 1: In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis Oocytes. Xenopus laevis oocytes were selected as described elsewhere by way of illustration [Decher et al., FEBS Lett. 492, 84-89 (2001)]. Subsequently, the oocytes were injected with 0.5-5 ng of a cRNA solution coding for TASK-1 or TASK-3. For the electrophysiological analysis of the channel proteins expressed in the oocytes, the two-electrode voltage clamp technique [St hmer, Methods Enzymol. 207, 319-339 (1992)] was used. The measurements were conducted as described [Decher et al., FEBS Lett. 492, 84-89 (2001)] at room temperature (21-22° C.) using a Turbo TEC 10CD amplifier (NPI), recorded at 2 kHz and filtered with 0.4 kHz. Substance administration was performed using a gravitation-driven perfusion system. Here, the oocyte is located in a measuring chamber and exposed to the solution stream of 10 ml/min. The level in the measuring chamber is monitored and regulated by sucking off the solution using a peristaltic pump.
10131	2	Inhibition of Recombinant TASK-1 and TASK-3 In Vitro	The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were conducted using stably transfected CHO cells. The compounds according to the invention were tested in this case by application of 40 mM potassium chloride in the presence of a voltage-sensitive dye according to the method described in detail in the following references [Whiteaker et al., Validation of FLIPR membrane potential dye for high-throughput screening of potassium channel modulators, J. Biomol. Screen. 6 (5), 305-312 (2001); Molecular Devices FLIPR Application Note: Measuring membrane potential using the FLIPR membrane potential assay kit on Fluorometric Imaging Plate Reader (FLIPR ) systems, http://www.moleculardevices.com/reagents-supplies/assay-kits/ion-channels/flipr-membrane-potential-assay-kits]. The activity of the test substances was determined as their ability to inhibit a depolarization induced in the recombinant cells by 40 mM potassium chloride. The concentration which can block half of this depolarization is referred to as IC50.
10132	1	TYK2 JH2 Domain Binding Assay	DiscoverX&#39;s KINOMEscan&#153; is a popular platform for kinase profiling, frequently used in academic and industry witnessed by publications, therefore we selected this platform as a primary cell-free screening assay to determine the relative binding potency and guide chemistry SAR.Developed by DiscoverX, KINOMEscan&#153; employs proprietary active-site dependent competition binding assays to determine how compounds bind to kinases. KINOMEscan&#153; is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active site directed ligand. The assay is performed by combining three components: DNA-tagged kinase; immobilized ligand; and a test compound. The ability of the test compound to compete with the immobilized ligand is measured via quantitative PCR of the DNA tag.Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining TYK2 (JH2domain-pseudokinase), liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. All test compounds were shipped to DiscoverX in DMSO with concentration of 10 mM. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. Each compound was tested in duplicate. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.The amount of kinase measured by qPCR (Signal; y-axis) is plotted against the corresponding compound concentration in nM in log 10 scale (x-axis). Binding constants (Kds) were calculated with a standard dose-response curve using the Hill equation:Response = Background + Signal - Background 1 + ( Kd Hill &#8290; &#8290; Slope / Dose Hill &#8290; &#8290; Slope ) The Hill Slope was set to &#8722;1.
10132	2	JAM JH2 and JAK2 JH1 Domain Binding Assay	Similar to the method for TYK2 JH2 binding described above, JAK1 JH2 and JAK2 JH1 domain binding assay was performed using DiscoverX&#39;s KINOMEscan&#153;, but with change of kinase domain. These assays were performed to compare the binding selectivity of test compounds to JAK1 JH2 and JAK2 JH1 domain.
10133	1	Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Tyro 3, Axl, and Mer	For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried out.The specific test method followed the method provided by Cisbio. The compounds of the examples were prepared at various concentrations, followed by addition of Tyro 3, Axl, or Mer and substrate peptides, and then ATP was added to initiate a reaction. After 1 hour, the reaction was stopped by addition of a solution containing EDTA. Thereafter, the amount of phosphorylated peptides was measured. Here, the phosphorylated peptides were treated with an europium (Eu)-labeled antibody recognizing phosphorylated peptides, and then after 1 hour, excited by irradiation of the light of a wavelength of 320 or 340 nm using an Envision Reader. The amount of light emitted at 665 nm was measured to investigate the degrees of inhibition of TAM receptors. The TAM receptor inhibitory activities (IC50 values) of the respective compounds were analyzed using the GraphPad Prism program, and tabulated in Tables 1 to 3 below. LDC1267 (CAS no. 1361030-48-9, Calbiochem), which is a TAM receptor inhibitor compound, was used as a positive control.
10134	1	Coupled Nucleotide Exchange Assay (5 minutes)	Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for either 5 minutes. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min (for 5 min compound pre-incubation) or 1 hour (for 2 hour compound pre-incubation). To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10134	2	Coupled Nucleotide Exchange Assay (2 hours)	Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for either 2 hours. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min (for 5 min compound pre-incubation) or 1 hour (for 2 hour compound pre-incubation). To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10134	3	Coupled Nucleotide Exchange Assay (20 hours)	Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for 20 hours. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min (for 5 min compound pre-incubation) or 1 hour (for 2 hour compound pre-incubation). To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10135	1	CDK Kinase Assays	To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction buffers were prepared as follows: kinase base buffer for CDK2,6 (50 mM HEPES, pH 7.5; 0.0015% Brij-35; 10 mM MgCl2; 2 mM DTT); Kinase base buffer for CDK4 (20 mM HEPES, pH 7.5; 0.01% Triton X-100; 10 mM MgCl2; 2 mM DTT); Stop buffer (100 mM HEPES, pH 7.5; 0.015% Brij-35; 0.2% Coating Reagent #3; 50 mM EDTA).Enzyme Reaction Protocol:1) Dilute the compound to 50X of the final desired highest concentration in reaction by 100% DMSO. Transfer 100 &#956;L of this compound dilution to a well in a 96-well plate. Then, serially dilute the compound by transferring 30 &#956;L to 60 &#956;L of 100% DMSO in the next well and so forth for a total of 10 concentrations. Add 100 &#956;L of 100% DMSO to two empty wells for no compound control and no enzyme control in the same 96-well plate. Mark the plate as source plate.2) Prepare intermediate plate by transferring 10 &#956;L of compound from source plate to a new 96-well plate containing 90 &#956;L of kinase buffer as the intermediate plate.3) Transfer 5 &#956;L of compound from the 96-well intermediate plate to a 384-well plate in duplicates.4) Add 10 &#956;L of 2.5× enzyme solution to each well of the 384-well assay plate.5) Incubate at room temperature for 10 min.6) Add 10 &#956;L of 2.5× substrate solution prepared by adding FAM-labeled peptide and ATP in the kinase base buffer. Reaction concentrations for enzymes and substrates as following table (Table 13):TABLE 13Enzyme ATP PeptideEnzyme (nM) (&#956;M) Peptide concentration(&#956;M)CDK2 10 30 &#8194;P18 3CDK4 10 280 P8 3CDK6 15 800 P8 37) Incubate at 28° C. for specified period of time.8) Add 25 &#956;L of stop buffer to stop reaction.9) Collect data on Caliper. Then convert conversion values to inhibition values.Percent inhibition=(max&#8722;conversion)/(max&#8722;min)*100. max stands for DMSO control and min stands for low control herein.10) Curve fitting using percent inhibition in XLFit excel add-in version 4.3.1 to obtain IC50 values. Equation used is: Y=Bottom+(Top-Bottom)/(1+(IC50/X){circumflex over (&#8195;)}HillSlope). Wherein, Y is inhibition percentage (%); X is concentration of the test compound.
10136	1	TYK2 JH2 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2(JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins for the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA). Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. All reactions were performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (1×PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.
10137	1	Determining Vmat2 Inhibitory Activity of a Compound	Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described previously (see, e.g., Near, (1986), Mol. Pharmacol. 30: 252-57; Teng, et al., J. Neurochem. 71, 258-65, 1998). Homogenates from human platelets or Sprague-Dawley rat forebrain were prepared by homogenization and then washed by centrifugation as described previously (see, e.g., Hoare et al., (2003) Peptides 24:1881-97). In a total volume of 0.2 mL in low-binding 96-well plates (Corning #3605), twelve concentrations of Compound 1-1 and R,R,R-DHTBZ were competed against 6 nM 3H-dihydrotetrabenezine (American Radiolabeled Chemicals, Kd 2.6 nM) on rat forebrain homogenate (100 &#956;g membrane protein per well) or human platelet homogenate (50 &#956;g membrane protein per well) in VMAT2 binding buffer (Dulbecco&#39;s phosphate buffered saline, 1 mM EDTA, pH 7.4). Following incubation at 25° C. for two hours, bound radioligand was collected by rapid filtration onto GF/B glass fiber filters using a Unifilter-96 Harvester (PerkinElmer). Filter plates were pre-treated for 10 minutes with 0.1% polyethylenimine, and following harvesting the filter plates were washed with 800 &#956;l VMAT2 binding buffer. Bound radioligand was quantified by scintillation counting using a Topcount NXT (PerkinElmer).
10137	2	Determining human Vmat2 Inhibitory Activity of a Compound	The human Ki&#39;s for the compounds listed in Table 11 were determined using a slightly modified procedure shown below (see data in column under the heading Ki nM ). In a total volume of 0.15 mL in low-binding 96-well plates (Corning #3605), twelve concentrations of Compound 1-1 and R,R,R-DHTBZ were competed against 10 nM 3H-dihydrotetrabenezine (American Radiolabeled Chemicals, Kd 2.6 nM) on rat forebrain homogenate (100 &#956;g membrane protein per well) or human platelet homogenate (15 &#956;g membrane protein per well) in VMAT2 binding buffer (Dulbecco&#39;s phosphate buffered saline, 1 mM EDTA, pH 7.4). Following incubation at 25° C. for 90 minutes, bound radioligand was collected by rapid filtration onto GF/B glass fiber filters using a Unifilter-96 Harvester (PerkinElmer). Filter plates were pre-treated with 0.1% polyethylenimine and allowed to dry overnight, and following harvesting the filter plates were washed with 800 d VMAT2 binding buffer. Bound radioligand was quantified by scintillation counting using a Topcount NXT (PerkinElmer).
10138	1	Measuring Compound Inhibitory Potency	Measurement of inhibition by compounds was performed using the HCV replicon system. Several different replicons encoding different HCV genotypes or mutations were used. In addition, potency measurements were made using different formats of the replicon assay, including different ways of measurements and different plating formats. See Jan M. Vrolijk et al., A replicons-based bioassay for the measurement of interferons in patients with chronic hepatitis C, 110 J. VIROLOGICAL METHODS 201 (2003); Steven S. Carroll et al., Inhibition of Hepatitis C Virus RNA Replication by 2&#8242;-Modified Nucleoside Analogs, 278(14) J. BIOLOGICAL CHEMISTRY 11979 (2003). However, the underlying principles are common to all of these determinations, and are outlined below.Stable neomycin phosphotransferase encoding replicon-harboring cell lines were used, so all cell lines were maintained under G418 selection prior to the assay. In some cases, the cell lines encoded a luciferase:Neor fusion and could be assayed either directly by determination of RNA copy number, or indirectly through measurement of the luciferase activity.To initiate an assay, replicon cells were plated in the presence of a dilution series of test compound in the absence of G418. Typically, the assays were performed in a 96-well plate format for manual operation, or a 384-well plate in an automated assay. Replicon cells and compound were incubated for 24 to 72 hours. At the end of the assay, cells are washed free of media and compound and then lysed. Luciferase activity was measured using a conventional luciferase assay. EC50 determinations were calculated as a percent of a DMSO control by fitting the data to a four parameter fit function.
10139	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue -cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
10140	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response. Compounds having an IC50 of 1 M or less are considered active.
10141	1	Factor XIa assay 	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
10141	2	Plasma Kallikrein assay	Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. Determinations were made using purified human plasma kallikrein (Enzyme Research Laboratories) at a final assay concentration of 200 pM and the synthetic substrate S-2302 (H-(D)-Pro-Phe-Arg-pNA; CHROMOGENIX) at a concentration of 0.00008-0.0004 M.
10142	1	IRAK4 Biochemical Assay	IRAK4 enzyme (Carna Biosciences, Chuo-ku, Kobe, Japan) activity was measured by detecting phosphorylated peptide substrate formation using an antibody against the phosphorylated peptide substrate. This is a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on the STK1 KinEASE Assay (Cisbio, Bedford, Mass.). The assay was designed as a simple two-step, endpoint assay (a 5 &#956;l enzyme reaction followed by 5 &#956;l stop and detect Solution) performed in ProxiPlate-384 Plus plates (Perkin Elmer, Waltham, Mass.). Staurosporine, a non-selective kinase inhibitor was used as a positive control. Compounds diluted in DMSO were spotted into 384 well plates using a Labcyte Echo 550 Liquid Handling System prior to addition of IRAK4 enzyme and peptide substrate. Reaction solutions were delivered using a Multi-Flo (Bio-Tek Instruments). The enzyme and peptide solution was incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5 &#956;l reaction mixture contained 500 &#956;M ATP, 2 &#956;M peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 0.025% NP-40, 1 mM DTT). After 120 min of incubation at room temperature, 5 &#956;l of Stop and Detect Solution (1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM Tracer in a 50 mM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm). Percentage of inhibition was calculated as below:% Inhibition=100×(RatioSample&#8722;Ratio0% Inhibition)/(Ratio100% Inhibition&#8722;Ratio0% Inhibition)The 0% inhibition value comes from control wells lacking inhibitor. The 100% inhibition value comes from control wells containing a saturating amount of known inhibitor staurosporine.
10143	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of Complement Factor D reaction rates as a function of test compound concentration.
10144	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.)
10145	1	In Vitro Methyltransferase Activity Assay	Recombinant PRC2 (EZH2-Y641F) was purchased from Active motif, S-adenosyl-methionine (SAM) and Poly-L-lysine (PLL) were purchased from Sigma-Aldrich, and H3(1-50)K27me1 peptide was purchased from Cisbio. LANCEUltrasystem (Perkinelmer) was used for detection system. In the enzyme activity test, compounds to be tested were diluted by 8 gradient points in a ratio of 1:3, and added into each well in a reaction plate, and 100 ng recombinase was added, followed by a buffer [20 mM Tris pH8.5, 2 mM MgCl2, 0.01% Tween-20, 1 mM TCEP] containing 2.5 uM SAM/250 nM H3 (1-50)K27me1 premixtures. Enzymatic reaction thus began at room temperature. After reacted for 3 hours, a detection solution premixed with PLL, detection antibody and Ulight was added, and reacted for 1 hour at room temperature. The fluorescence value was then read on a Tecan infinite pro. IC50 was calculated by fitting in a four-factor model in the XLfit software.
10146	1	Biochemical ATX Assay (Assay A)	5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and 0.1% bovine serum albumin. Test compounds were dissolved in DMSO and tested in the range of 0.1 nM to 10 &#956;M. The enzymatic reaction (22.5 &#956;L) was started by addition of 2.5 &#956;L 10 &#956;M 18:1 LPC (Avanti Lipids, Alabaster, Ala., USA). After 2-h incubation at room temperature, the reaction was stopped by addition of 20 &#956;L water containing 500 nM 20:4 LPA as internal standard and 100 &#956;L 1-butanol for extracting LPA. Subsequently, the plates were centrifuged at 4000 rpm, 4° C., for 2 min. The resultant upper butanol phase was directly used for injection at a RapidFire system (Agilent).The RapidFire autosampler was coupled to a binary pump (Agilent 1290) and a Triple Quad 6500 (ABSciex, Toronto, Canada). This system was equipped with a 10-&#956;L loop, 5 &#956;L Waters Atlantis HILIC cartridge (Waters, Elstree, UK), 90% acetonitrile containing 10 mM ammonium acetate as eluent A and 40% acetonitrile containing 10 mM ammoniumacetate as eluent B. For details see (Bretschneider et al., SLAS Discovery, 2017). 1 The MS was operated in negative mode with a source temperature of 550° C., curtain gas=35, gas 1=65, and gas 2=80. The following transitions and MS parameters (DP: declustering potential and CE: collision energy) for the respective LPAs were determined: 18:1 LPA at 435.2/152.8, DP=&#8722;40, CE=&#8722;28 and 20:4 LPA at 457.2/152.8, DP=&#8722;100, CE=&#8722;27).
10147	1	Inhibition TR-FRET (Time Resolved FRET) Assay	This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton&#39;s Tyrosine Kinase using FRET (F rster/Fluorescence Resonance Energy Transfer) technology. The BTK-Eu complex was incubated on ice one hour prior to use at a starting concentration of 50 nM BTK-Bioease : 10 nM Eu-streptavidin (Perkin-Elmer Catalog #AD0062). The assay buffer consisted of 20 mM HEPES (pH 7.15), 0.1 mM DTT, 10 mM MgCl2, 0.5 mg/ml BSA with 3% Kinase Stabilizer (Fremont Biosolutions, Catalog #STB-K02). After 1 h, the reaction mixture from above was diluted 10 fold in assay buffer to make 5 nM BTK: 1 nM Eu-Streptavidin complex (donor fluorophore). 18 &#956;l of a mixture of 0.11 nM BTK-Eu and 0.11 nM Kinase Tracer 178 (Invitrogen, Catalog #PV5593) with BTK-Eu alone as no negative control, was then dispensed into 384-well flat bottom plates (Greiner, 784076). Compounds to be tested in assay were prepared as 10× concentrations and serial dilution in half-log increments was performed in DMSO so as to generate 10 point curves. To initiate the FRET reaction, compounds prepared as 10× stock in DMSO was added to the plates and the plates were incubated 18-24 h at 14° C.
10148	1	FLIPR Assay	At the assay day cells were washed 3× with assay buffer (as described above), 10 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca kit loading buffer (AAT Bioquest; prepared from the kit containing the following components: Component A: Fluo-8 NW dissolved in 200 &#956;L DMSO and 20 &#956;l of this solution are mixed with 10 ml buffer prepared out of component B and C, Component B: 10× Pluronic F127 Plus diluted 1:10 in component C, Component C: HHBS (Hanks with 20 mM Hepes) was added to the cells and the plates were incubated with lid for 60 minutes at room temperature. 20 &#956;l assay buffer containing 60 &#956;M glycine (20 &#956;M final) and 3 &#956;M glutamate (1 &#956;M final) was added to column 1-23, column 24 got assay buffer without glycine/glutamate to serve as negative unstimulated control. Fluorescence (indicating the calcium influx as a result of the NR1/NR2B ion channel activation) was read on the FLIPRtetra device for 60 seconds to monitor the glutamate induced effects. After 2 minutes 20 &#956;L of compound dilution prepared as described above or controls (row 1-22) in assay buffer were carefully added to the wells.
10149	1	Enzymatic Assay	Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP; Molecular Probes) as the substrate. Enzyme (250 pM) was incubated with or without increasing concentrations of compounds in assay buffer (62.5 mM HEPES, 125 mM NaCl, 1 mM EDTA, 1.25 mM TECP, 0.1% BSA) for 30 min at room temperature. Reaction was initiated by addition of DiFMUP (50 &#956;M) at room temperature in 384-well black plate with a final reaction volume of 20 uL in assay buffer. After 1 hour, DiFMUP fluorescence signal was measured (Ex:340/Em:460) using Envision plate reader. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener).
10150	1	Enzyme Assay	The affinity of compound binding to wild type and mutant human MET kinases is measured using Invitrogen&#39;s LanthaScreen Eu Kinase Binding technology. Briefly, GST-tagged recombinant human MET kinase domain from Signal Chem (see Table 8 below for concentration in assay) is incubated with 50 nM Alexa-Fluor Tracer 236 (Invitrogen Cat No. PR9078A) and 2 nM Europium-anti-GST (Invitrogen Cat. No. A151 6) along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, 1 mM DTT, and 2% DMSO. Compounds are typically prepared in a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-minute incubation at 22° C., the reaction is measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC is determined using no test compounds and 0 POC is determined using a concentration of control compound that completely inhibits the enzyme
10151	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
10152	1	Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
10153	1	Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product triolein (1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in deep well 384 plates in a final volume of 40 &#956;L at room temperature. The assay mixture contained the following: assay buffer (100 mM Tris.Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 10 &#956;M of oleoyl-CoA and 10 ng/&#956;L of DGAT2 membrane.
10154	1	TR-FRET Kinase Assay	The ability of compounds to inhibit ASK1 kinase activity was determined using a time resolved fluorescence resonance energy transfer [TR-FRET] assay utilizing biotinylated myelin basic protein [biotin-MBP] as the protein substrate. A Beckman Biomek FX liquid handling robot was utilized to spot 2 &#956;L/well of compounds in 2.44% aqueous DMSO into low volume 384-well polypropylene plates [Nune, #267460] to give a final concentration of between 100 &#956;M and 0.5 nM compound in the kinase assay. A Decrac Fluidics Equator was used to dispense 3 &#956;L/well of 0.667 ng/&#956;L [Upstate Biotechnologies, #14-606, or the equivalent protein prepared in-house] and 0.1665 ng/mL biotin-MBP [Upstate Biotechnologies, #13-111] in buffer (85 mM MOPS, pH 7.0, 8.5 mM Mg-acetate, 5% glycerol, 0.085% NP-40, 1.7 mM DTT and 1.7 mg/mL BSA) into the plates containing the spotted compounds. The enzyme was allowed to pre-incubate with compound for 20 minutes prior to initiating the kinase reaction with the addition of 5 &#956;L/well 300 &#956;M ATP in buffer (50 mM MOPS, pH 7.0, 5 mM Mg-acetate, 1 mM DTT, 5% DMSO) using the Decrac Fluidics Equator. The kinase reactions were allowed to proceed for 20 minutes at ambient temperature and were subsequently stopped with the addition of 5 &#956;L/well 25 mM EDTA using the Deerac Fluidics Equator. The Biomek FX was then used to transfer 1 &#956;L/well of each completed kinase reaction to the wells of an OptiPlate-1536 white polystyrene plate [PerkinElmer, #6004299] that contained 5 &#956;L/well detection reagents (1.11 nM Eu-W1024 labeled anti-phosphothreonine antibody [PerkinElmer, #AD0094] and 55.56 nM streptavidin allophycocyanin [PerkinElmer, #CR130-100] in 1×LANCE detection buffer [PerkinElmer, #CR97-100]). The TR-FRET signal was then read on a Perkin. Elmer Envision plate reader after incubating the plates at ambient temperature for 2 hours. The 100% inhibition positive control wells were generated by switching the order of addition of the EDTA and ATP solutions described above. These wells and 0% inhibition wells containing spots of 2.44% DMSO at the beginning of the assay were used in calculating the % inhibition for the test compounds.
10155	1	Assays for Epoxide Hydrolase Activity	Any of a number of standard assays for determining epoxide hydrolase activity can be used to determine inhibition of sEH. For example, suitable assays are described in Gill, et al., Anal Biochem 131:273-282 (1983); and Borhan, et al., Analytical Biochemistry 231:188-200 (1995)). Suitable in vitro assays are described in Zeldin et al., J Biol. Chem. 268:6402-6407 (1993). Suitable in vivo assays are described in Zeldin et al., Arch Biochem Biophys 330:87-96 (1996). Assays for epoxide hydrolase using both putative natural substrates and surrogate substrates have been reviewed (see, Hammock, et al. In: Methods in Enzymology, Volume III, Steroids and Isoprenoids, Part B, (Law, J. H. and H. C. Rilling, eds. 1985), Academic Press, Orlando, Fla., pp. 303-311 and Wixtrom et al., In: Biochemical Pharmacology and Toxicology, Vol. 1: Methodological Aspects of Drug Metabolizing Enzymes, (Zakim, D. and D. A. Vessey, eds. 1985), John Wiley & Sons, Inc., New York, pp. 1-93. Several spectral based assays exist based on the reactivity or tendency of the resulting diol product to hydrogen bond (see, e.g., Wixtrom, supra, and Hammock. Anal. Biochem. 174:291-299 (1985) and Dietze, et al. Anal. Biochem. 216:176-187 (1994)).The enzyme also can be detected based on the binding of specific ligands to the catalytic site which either immobilize the enzyme or label it with a probe such as dansyl, fluoracein, luciferase, green fluorescent protein or other reagent. The enzyme can be assayed by its hydration of EETs, its hydrolysis of an epoxide to give a colored product as described by Dietze et al., 1994, supra, or its hydrolysis of a radioactive surrogate substrate (Borhan et al., 1995, supra). The enzyme also can be detected based on the generation of fluorescent products following the hydrolysis of the epoxide. Numerous methods of epoxide hydrolase detection have been described (see, e.g., Wixtrom, supra).The assays are normally carried out with a recombinant enzyme following affinity purification. They can be carried out in crude tissue homogenates, cell culture or even in vivo, as known in the art and described in the references cited above.
10156	1	Evaluation of a Human P2X7 Receptor Inhibitory Activity	Stably expressing cell line (1321N1 cell transfected with the human P2X7 receptor gene (GenBank accession number NM_002502.5 including T606C and G952A SNP)) was used. The cells were seeded in a 384-well microtiter plate at a concentration of 8000 cells/well and cultured in the medium (10% fetal bovine serum, 25 mM HEPES, 1% penicillin and streptomycin in DMEM) for one day at 37° C. under 5% carbon dioxide atmosphere. After replacing with 20 &#956;L of the HBSS buffer (20 mM HEPES, 55.6 mM D-glucose, 1×HBSS(&#8722;), pH7.4-7.5). 16 &#956;L of 17.3 &#956;M Yo-Pro solution in the HBSS buffer was added. The plate was placed in high-throughput cellular screening system FLIPR TETRA (Molecullar Devices, LLC.) and 15 &#956;L of 130 &#956;M BzATP solution in the HBSS buffer was added. Measurement, of fluorescence intensity by FLIPR TETRA was started. After eight minutes, 15 &#956;L of DMSO solutions containing different concentrations of the compound of the present invention as prepared by dilution with the HBSS buffer were dispensed to each well through the built-in automatic dispenser, and the measurement of fluorescence intensity was continued for 20 minutes. The maximum fluorescence intensity without the compound of the present invention is calculated as 0% inhibition and the maximum fluorescence intensity when the reference compound was added is calculated as 100% inhibition. Changing values of fluorescence intensity by the compound of the present invention were calculated by difference between maximum and minimum fluorescence intensity for 20 minutes.
10157	1	In Vitro Evaluation of EPAC1 Inhibition	To explore the SARs and examine how the modifications on the isoxazole ring affect biological activities of newly synthesized analogues, we first evaluated their ability to inhibit EPAC1-mediated Rap1b-bGDP exchange activity using purified recombinant full-length EPAC1 proteins. Previous hit 1 was used as the reference compound, with an IC50 value of 10.8 &#956;M in inhibiting EPAC1 (Zhu et al., Sci. Rep. (2015) 5:9344).
10157	2	In Vitro Evaluation of EPAC2 Inhibition	From the biological results discussed above, compounds 10, 14-15, 23-24, 26-27, and 31-32 were identified as potent EPAC1 inhibitors with IC50 values lower than 8 &#956;M and more potent than reference compound 1. Therefore, these selected compounds together with hit 1 were further evaluated for their ability to inhibit EPAC2-mediated Rap1b-bGDP exchange activity. As shown in Table 3, the previous hit 1 is 2.5-fold more potent on EPAC2 inhibition than that on EPAC1, with an IC50 value of 4.4 &#956;M. Interestingly, almost all of our selected, newly synthesized analogues exhibit significantly enhanced potency compared to that of 1, except compounds 23 and 24 (FIG. 3). Among these, compound 33 exhibits the best inhibitory activity for EPAC2, with an IC50 value of 1.9 &#956;M (FIG. 3). Compounds such as 14, 26 and 32-33 with IC50 values lower than 4 &#956;M for both EPAC1 and EPAC2 may serve as valuable pharmacological tools to probe the functions of EPAC in diseases or as potential drug candidates for further preclinical development.
10158	1	Inhibition of ATX by Benzene Sulfonamide Series	Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; however the traditional measure of a competitive inhibitor may not be appropriately applied in this context. 3b inhibited hydrolysis of the lipid-like substrate FS-3 while sparing effects on hydrolysis of the nucleotide substrate pNP-TMP. As such and with the observed molecular modeling it is known that 3b does not bind at the active site, in which case both substrates would be affected. However, because the compound is targeted toward the hydrophobic pocket of ATX, it shares space with the binding site for the hydrophobic tail of lipid substrates like FS-3. As such, the mechanism of action presents itself as competitive in the FS-3 hydrolysis assay even though the binding site of the 3b exists outside the catalytic site of the enzyme.
10159	1	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays	A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 1.7 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 &#956;M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
10160	1	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	BTK enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.BTK enzyme (His-BTK (Millipore catalog #14-552)), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.2).Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 l/well of 0.4 U/mL BTK enzyme (final concentration in the assay is 0.1 U/mL). Test compounds and BTK enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate, e.g. #R7188/#R7233, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in BTK IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 75% 1× buffer A and 25% 1× buffer B with 1:600 Progressive Binding Solution). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP.
10160	2	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	EGFR enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.EGFR enzyme (Invitrogen catalog #PR7295B), is diluted to 2.5 &#956;g/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5).Serial dilution log 10 from 1 mM to 31.6 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 25-fold in KR-buffer of which 5 &#956;L is used in the assay, leading to a final compound concentration range in the assay from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 l/well of 2.5 &#956;g/mL EGFR enzyme (final concentration in the assay is 625 ng/mL). Test compounds and EGFR enzyme are pre-incubated 60 min at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescein labeled substrate peptide (PDGFR-tide substrate peptide RP7084, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 L/well of 8 &#956;M ATP in KR-buffer (final ATP concentration is 2 &#956;M, Km ATP in EGFR IMAP assay). Following incubation for 60 min at room temperature in the dark the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 20% 1× buffer A and 80% 1× buffer B with 600× diluted beads). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
10160	3	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	TEC enzyme (Millipore #14-801M), is diluted to 2 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5).Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;L/well of 2 U/mL TEC enzyme (final concentration in the assay is 0.5 U/mL (6.3 nM)). Test compounds and TEC enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate #R7188, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in TEC IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 60% 1× buffer A and 40% 1× buffer B with 800× diluted beads (Progressive Binding System, Molecular Devices #R8124). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
10160	4	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	TXK enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.TXK enzyme (Millipore #14-761), is diluted to 2.5 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5).Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;L/well of 2.5 U/mL TXK enzyme (final concentration in the assay is 0.625 U/mL (4.4 nM)). Test compounds and TXK enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate #R7188, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 4 &#956;M ATP in KR-buffer (final ATP concentration is 1 &#956;M ATP, Km ATP in TXK IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 60% 1× buffer A and 40% 1× buffer B with 800× diluted beads (Progressive Binding System, Molecular Devices). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
10160	5	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	ITK enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.ITK enzyme (Millipore #14-660M) is diluted to 0.2 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5)Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;L/well of 0.2 U/mL ITK enzyme (final concentration in the assay is 0.05 U/mL (8.4 nM)). Test compounds and ITK enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate #R8124, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in ITK IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 60% 1× buffer A and 40% 1× buffer B with 800× diluted beads (Progressive Binding System, Molecular Devices #R8124). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP. 
10160	6	IMAP (Immobilized Metal Ion Affinity-Based Fluorescence Polarization) Assay	BMX enzyme (Millipore #14-499M), is diluted to 0.5 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3, 1 mM DTT, 2 mM MnCl2, pH 7.5)Serial dilutions log 10 from 2 mM to 63.2 nM of test compounds are made in 100% DMSO. The dilutions in DMSO are then diluted 50-fold in KR-buffer. Final compound concentration range in the assay ranged from 10 &#956;M to 0.316 nM.The assay is performed as follows: 5 &#956;L/well of test compound in KR buffer (final DMSO concentration in the assay is 1%) is mixed with 5 &#956;L/well of 0.5 U/mL BMX enzyme (final concentration in the assay is 0.125 U/mL (4.5 nM)). Test compounds and BMX enzyme are pre-incubated 60 minutes at room temperature, before adding 5 &#956;L/well of 200 nM Fluorescin labeled substrate peptide (Blk/Lyntide substrate #R7188, Molecular Devices) in KR-buffer. Final peptide substrate concentration in assay is 50 nM. The kinase assay is started by adding 5 &#956;L/well of 20 &#956;M ATP in KR-buffer (final ATP concentration is 5 &#956;M ATP, Km ATP in BMX IMAP assay). Following incubation for 2 hours at room temperature the enzyme reaction is stopped by adding 40 &#956;L/well IMAP Progressive Binding Solution (according to suppliers (Molecular Devices) protocol using 60% 1× buffer A and 40% 1× buffer B with 800× diluted beads (Progressive Binding System, Molecular Devices #R8124). After 60 min incubation at room temperature in the dark the FP signal is read. Fluorescence at 535 nm is measured using parallel and perpendicular filters to determine differences in rotation due to binding of the phosphorylated substrate peptide to the beads. Values are calculated as percentage of the difference in readout (&#916;mPi) of the controls with and without ATP.
10160	7	Z-LYTE Assay	Z-LYTE assay performed at Life Technologies.
10161	1	Biochemical Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate
10162	1	Kinase Inhibition Assay	Reagents and Materials:WT EGFR (Carna, Cat. No. 08-115), EGFR [L858R] (Carna, Cat. No. 08-502), EGFR [L858R/T790M] (Carna, Cat. No. 08-510), ATP (Sigma, Cat. No. A7699-1G), DMSO (Sigma, Cat. No. D2650), 96-well plate (Corning, Cat. No. 3365), 384-well plate (Greiner, Cat. No. 784076), HTRF Kinase TK Kit (Cisbio, Cat. No. 62TK0PEJ), Erlotinib (Selleckchem, Cat. No. S7787), EGFR [d746-750] (Life Technologies, Cat. No. PV6178), 5× Kinase Buffer A (Life Technologies, Cat. No. PV3186), Kinase Tracer 199 (Life Technologies, Cat. No. PV5830), LanthaScreen Eu-anti-GST antibody (Life Technologies, Cat. No. PV5594).Specific Experimental Protocol:Compound preparation: the test compound was dissolved in DMSO to make a 20 mM stock solution. Then, it was diluted in DMSO with a 3-fold series gradient dilution for 10 times. The dilutions were diluted 10 fold with buffer when dosing.WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds for 10 minutes in 5× Kinase Buffer A in duplicate. The corresponding substrate and ATP were added and reacted at room temperature for 20 minutes (in which a negative and a positive control were set: the negative control is blank and the positive control is erlotinib). After the reaction, the detection reagent (the reagent in the HTRF Kinase TK kit) was added, and after incubation at room temperature for 30 minutes, the enzyme activity in the presence of the compounds of the present disclosure at each concentration was measured by an Evnvision microplate reader, and the inhibition of the enzyme by the compound at each concentrations were calculated. The inhibitions of the enzyme activity by the compounds at different concentrations were then fitted using Graphpad 5.0 software according to the four-parameter equation, and the IC50 values were calculated.
10163	1	Biochemical Assay	Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35.2 mM DTT5 nM LRRK2134 &#956;M ATP60 minute reaction time23° C. reaction temperature10 &#956;L total reaction volumeDetection Reaction Conditions1× TR-FRET dilution buffer10 mM EDTA2 nM antibody23° C. reaction temperature10 &#956;L total reaction volumeCompounds were prepared by initially diluting to 1 mM with DMSO. 35 &#956;L of reference compound solution, 35 &#956;L of test compound solution, and 35 &#956;L HPE were successively added to the source plate (384-well assay plate, Labcyte). The plates were centrifuged at 2500 rpm for 1 minute and sealed in foil. POD was used to perform a 3.162 fold serial dilution and 100 nL of reference compound solution, test compound solution, HPE and ZPE were transferred to assay plates. The assay plate was centrifuged at 2500 rpm for 1 minute, and sealed with foil.To perform the enzyme reaction, 5 &#956;L of LRRKtide substrate and kinase mixture in assay buffer was added to all wells of the assay plate. The plate was centrifuged to concentrate the mixture at the bottom of the wells. The assay plate was incubated at 23° C. for 20 minutes. Following incubation, 5 &#956;L of 2×ATP in assay buffer was added to each well, and plates were centrifuged to concentrate the mixture at the bottom of the wells. The plate was incubated at 23° C. for 60 minutes.To perform the detection of the reaction, EDTA completely mixed in TR-FRET dilution buffer was added to antibody reagent. 10 &#956;L of detection reagent was added to all wells of each well of the assay plate and the plate was centrifuged to concentrate the mixture at the bottom of the wells. The plate was then incubated at 23° C. for 60 minutes. Plates were read on Perkin Elmer Envision 2104 instrument in TR-FRET mode using 340 nm excitation filter, 520 nm fluorescence emission filter, and 490 or 495 nm terbium emission filter.
10164	1	Enzyme Activity Assay	Experimental procedure: The histone H4 peptide was diluted with carbonate-bicarbonate buffer and prepared to 100 &#956;g/mL, and then dispensed onto the plate per 100 &#956;L and reacted at 37° C. for 1 hour. PRMT5-MEP50 enzyme complex and S-adenosylmethionine were diluted with histone methyltransferase reaction buffer to prepare 5 &#956;g/mL and 2 &#956;M, respectively, and then 20 &#956;L of PRMT5-MEP50 enzyme complex and 25 &#956;L of S-adenosylmethionine were dispensed onto the plate prepared above. 5 &#956;L of the compound diluted with 10% dimethyl sulfoxide solution was added thereto and reacted at room temperature for 2 hours (final volume=50 &#956;L). The concentration of the compound was diluted 1:5 from 10 &#956;M until the lowest concentration of 0.128 nM, and 8 points were used for the test. After preparing the primary antibody by diluting 1:2000 with blocking buffer, 100 &#956;L was added to the plate and reacted at room temperature for 1 hour. After preparing horseradish peroxidase-conjugated antibody by diluting 1:10,000 with blocking buffer, 100 &#956;L was added to the plate and reacted at room temperature for 1 hour. 100 &#956;L of TMB substrate was added and reacted for 3 minutes at room temperature, and 100 &#956;L of 1 N sulfuric acid was then added to terminate the reaction.
10165	1	Enzyme Assay	The specific operation was as follows: 2.5 &#956;l of the compound diluted in a 3-fold gradient was added to a 384-well plate, followed by adding 5 &#956;l of the reaction buffer (20 mM Tris-HCl, pH 7.5; 150 mM NaCl; 10 mM MgCl2; 0.4 mg/mL BSA (Bovine Serum Albumin) and 2 mM DTT (dithiothreitol)) containing 40 nM IDH1 (R132H/R132C) and 20 &#956;M NADPH. Then, the above test mixture was incubated at 23° C. for 16 hours, and then 2.5 &#956;l of the reaction buffer containing 4 mM &#945;-KG was added to initiate the reaction. After they were incubated for 60 minutes at room temperature, 5 &#956;l of the termination mixture (0.4 U/ml diaphorase and 20 &#956;M resazurin) formulated with the reaction buffer was added to convert resazurin to resorufin, so as to measure the amount of the remaining NADPH. After incubating at 23° C. for 10 minutes, fluorescence values were determined through Flexstation 3 at Ex535/Em595. The enzyme activity of each compound was respectively determined at 12 concentrations, and the data were calculated using the software GraFit6.0 (Erithacus Software) to obtain the IC50 value of each compound.
10166	1	Caliper Enzyme Assay (4 uM ATP)	JAK Caliper Enzyme Assay at 4 &#956;M: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 4 &#956;M or 1 mM ATP and 1 &#956;M peptide substrate. The JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
10166	2	Caliper Enzyme Assay (4 mM ATP)	JAK Caliper Enzyme Assay at 1 mM ATP: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 &#956;M. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 &#956;M and a 2% DMSO concentration.Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 4 &#956;M or 1 mM ATP and 1 &#956;M peptide substrate. The JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
10167	1	HTRF Assay (3 uM ATP)	ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 &#956;L. The inhibitors were serially diluted in DMSO and added to the plate wells prior to addition of the other reaction components. The assays were carried out at 25° C. in the assay buffer (50 mM HEPES, pH 7.1, 10% Glycerol, 0.01% Brij50, 10 mM MgCl2, 1 mM EGTA, 5 mM DTT, and 0.01% BSA), containing 50 nM LANCE Ultra ULight -DNA Topoisomerase 2-alpha peptide (Perkin Elmer TRF0130), and 3 uM ATP. The final concentration of DMSO in the assay was 1% and the enzyme concentration was 2.5 nM for ALK2. The reactions were allowed to proceed for 2-4 hr after which, the reaction was quenched by addition of EDTA at a final concentration of 20 mM along with 1.5 nM LANCE Ultra Europium-anti-phospho-DNA Topoisomerase 2-alpha (Thr1342) antibody (Perkin Elmer TRF0218). The reaction was read on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting percent control activity versus the log of the inhibitor concentration using the IDBS XLFit and GraphPad Prism 5.0 software.
10167	2	HTRF Assay (100 uM ATP)	ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 &#956;L. The inhibitors were serially diluted in DMSO and added to the plate wells prior to addition of the other reaction components. The assays were carried out at 25° C. in the assay buffer (50 mM HEPES, pH 7.1, 10% Glycerol, 0.01% Brij50, 10 mM MgCl2, 1 mM EGTA, 5 mM DTT, and 0.01% BSA), containing 50 nM LANCE Ultra ULight -DNA Topoisomerase 2-alpha peptide (Perkin Elmer TRF0130), and 100 uM ATP. The final concentration of DMSO in the assay was 1% and the enzyme concentration was 2.5 nM for ALK2. The reactions were allowed to proceed for 2-4 hr after which, the reaction was quenched by addition of EDTA at a final concentration of 20 mM along with 1.5 nM LANCE Ultra Europium-anti-phospho-DNA Topoisomerase 2-alpha (Thr1342) antibody (Perkin Elmer TRF0218). The reaction was read on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting percent control activity versus the log of the inhibitor concentration using the IDBS XLFit and GraphPad Prism 5.0 software.
10167	3	HTRF Assay (1 mM ATP)	ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 &#956;L. The inhibitors were serially diluted in DMSO and added to the plate wells prior to addition of the other reaction components. The assays were carried out at 25° C. in the assay buffer (50 mM HEPES, pH 7.1, 10% Glycerol, 0.01% Brij50, 10 mM MgCl2, 1 mM EGTA, 5 mM DTT, and 0.01% BSA), containing 50 nM LANCE Ultra ULight -DNA Topoisomerase 2-alpha peptide (Perkin Elmer TRF0130), and 1 mM ATP. The final concentration of DMSO in the assay was 1% and the enzyme concentration was 2.5 nM for ALK2. The reactions were allowed to proceed for 2-4 hr after which, the reaction was quenched by addition of EDTA at a final concentration of 20 mM along with 1.5 nM LANCE Ultra Europium-anti-phospho-DNA Topoisomerase 2-alpha (Thr1342) antibody (Perkin Elmer TRF0218). The reaction was read on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting percent control activity versus the log of the inhibitor concentration using the IDBS XLFit and GraphPad Prism 5.0 software.
10167	5	Enzymatic Assay	un-Phosphorylated (UP): The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.2 &#956;L was transferred to the wells of a 384-well plate. For the isoforms of FGFR (&#8722;1, &#8722;2, &#8722;3 wild-type and mutant isoforms, &#8722;4) including un-phosphorylated (UP)proteins, a 5 &#956;L/well volume of enzyme diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated with inhibitor for 5 to 15 minutes at ambient temperature. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The reaction was initiated by the addition of a 5 &#956;L/well volume containing both biotinylated EQEDEPEGDYFEWLE (SEQ ID: 1) peptide substrate and ATP in assay buffer. The 10 &#956;L/well reaction concentration of the peptide substrate was 500 nM whereas the ATP concentration was maintained near or below the ATP Km for each FGFR isoform. The ATP Km values were pre-determined for each FGFR isoform in a separate series of experiments. The reaction plate was incubated at 25° C. for 1 hr and the reactions were ended with the addition of 5 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 45 mM EDTA, 600 nM staurosporin, with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#8722;10 minutes at ambient temperature before scanning on a PheraStar plate reader (BMG Labtech) instrument.
10167	4	Enzymatic Assay	Phosphorylated (P): The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.2 &#956;L was transferred to the wells of a 384-well plate. For the isoforms of FGFR (&#8722;1, &#8722;2, &#8722;3 wild-type and mutant isoforms, &#8722;4) including phosphorylated (P)proteins, a 5 &#956;L/well volume of enzyme diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated with inhibitor for 5 to 15 minutes at ambient temperature. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The reaction was initiated by the addition of a 5 &#956;L/well volume containing both biotinylated EQEDEPEGDYFEWLE (SEQ ID: 1) peptide substrate and ATP in assay buffer. The 10 &#956;L/well reaction concentration of the peptide substrate was 500 nM whereas the ATP concentration was maintained near or below the ATP Km for each FGFR isoform. The ATP Km values were pre-determined for each FGFR isoform in a separate series of experiments. The reaction plate was incubated at 25° C. for 1 hr and the reactions were ended with the addition of 5 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 45 mM EDTA, 600 nM staurosporin, with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for &#8722;10 minutes at ambient temperature before scanning on a PheraStar plate reader (BMG Labtech) instrument.
10168	1	Kinase Inhibition Assay	Table 7: The inhibitory activities of TMP and TMQ are listed for comparison. While the tested compounds displayed reduced potency against pjDHFR compared to TMQ, they showed 2 to 5 fold greater selectivity. On comparison of the compounds from the two series of Section B. compounds, as observed in compound pairs 2 and 6, 3 and 7 and 5 and 9, methylation of the pyrrole nitrogen improved the selectivity ratios by 2 to 3 fold.
10168	2	Kinase Inhibition Assay	Table 9: Compounds 1 and 2, Section D., (see FIG. 4, bottom row, far right column) each inhibit VEGFR-2 and PDGFR-&#946; for antiangiogenic effects and also inhibit human TS (hTS) for cytotoxic effects in single agents.12 The inhibitory potency of both these single agents against VEGFR-2, PDGFR-&#946;, and hTS was better than or close to standards (Tables 9, 10).
10169	1	Bioassay	Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, FIRMS), satisfied purity criteria (&#8805;95% LC/MC, ELS).
10170	1	Biological Assay	5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to the other half of the plate as a control. Plates were return to the incubator for 24 hrs. Plates were removed from the incubator and placed on the bench for 30 min and then 25 uL of Cell Titer Glo were added per well. Plates were placed on a rocker and then read on a luminometer. 5000 MDA-MB-231 cells were plated per well. Compound was added and 4 hrs later, TRAIL was added at 5 ng/mL; RPMI was added for a minus TRAIL control. Plates were incubated an additional 24 hrs, removed to the bench for 30 min, and then 25 uL of cell titer glo was added per well. Plates were placed on a rocker and read on a luminometer. Data were fit using PRISM.
10171	1	HBsAg Assay	HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution series of the compounds in DMSO. The final DMSO concentration in all wells was 1% and DMSO was used as no drug control.The HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2) was used to measure the levels of secreted HBV antigens semi-quantitatively. For the detection 50 &#956;L/well culture supernatant was used and HBsAg was quantified using HBsAg chemiluminescence immunoassay (CLIA) kit (Autobio Diagnostics Co., Zhengzhou, China, Catalog number: CL0310-2), 50 &#956;L of the supernatant was transferred to the CLIA assay plate and 50 &#956;L of enzyme conjugate reagent was added into each well. The plates were sealed and gently agitated for 1 hour at room temperature. The supernatant-enzyme-mixture was discarded and wells were washed 6 times with 300 &#956;L of PBS. The residual liquid was removed by plating the CLIA plate right side down on absorbent tissue paper. 25 &#956;L of substrates A and B were added to each well. Luminance was measured using a luminometer (Mithras LB 940 Multimode Microplate Reader) after 10 minutes incubation. Dose-response curves were generated and the IC50 value was extrapolated by using the E-WorkBook Suite (ID Business Solutions Ltd., Guildford, UK). The IC50 was defined as the compound concentration at which HBsAg secretion was reduced by 50% compared to the no drug control.
10171	2	HBV DNA Assay	The assay employs real-time qPCR (TaqMan) to directly measure extracellular HBV DNA copy number in the cell supernatant. HepG2.2.15 cells were plated in 96-well microtiter plates before treatment with complete medium (DMEM, Glutamax, 10% FBS, 1% Penicillin/Streptomycin, 250 &#956;g/mL Genetycin, final DMSO concentration is 1%). Only the interior wells were utilized to reduce edge effects observed during cell culture, the exterior wells were filled with complete medium to help minimize sample evaporation. The HepG2.2.15 cells were treated 1 h later with various concentrations of a test compound in duplicate (top concentration used at 5 &#956;M, 2 &#956;M or 0.5 &#956;M according to the HBsAg IC50 observed, with 1/3 successive dilutions (total of 10 dilutions). Six days following the initial administration of the test compound, the cell culture supernatant was collected; DNA extraction was performed by automated system (Magnapure) and then used in a real-time qPCR/TaqMan assay to determine HBV DNA copy numbers. Antiviral activity was calculated from the reduction in HBV DNA levels (IC50).
10172	1	ASK1 Inhibitor Effect Determined by ASK1 Enzymatic Assay	The purpose of this assay is to determine the effect of ASK1 inhibitors on the production of ADP by ASK1. The recombinant human ASK1 (hASK1) catalytic domain tagged with Glutathione S-transferase is used, and histidine-tagged full-length human MAP kinase kinase 6 (MKK6) and ATP are the substrate and cofactor, respectively.The assay is done using an ADP-Glo Kinase Assay Kit (Promega, Catalog #V9102) according to the manufacturer&#39;s protocol with the following modifications. Briefly, hASK1 (0.25 nM) and MKK6 (300 nM) in a buffer (10 mM MOPS pH 7.0; 10 mM Mg-Acetate; 1 mM DTT; 0.025% NP-40; 0.05% BSA; 1.5% glycerol) are incubated with ASK1 inhibitors at varying concentrations ranging from 10.00 uM to 0.17 nM for 15 minutes, followed by incubation with ATP (100 uM) for 30 minutes at room temperature. ADP-Glo Reagent is added to terminate the kinase reaction and deplete the remaining ATP. The Kinase Detection Reagent is then added to convert ADP to ATP. The newly synthesized ATP is measured using a luciferase/luciferin reaction, and the luminescence determined by Envision (PerkinElmer). The luminescence intensities are analyzed by GeneData, and fit to a 4 parameter dose response-inhibitor logistics curve to determine IC50 values, using the effects of 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide as a standard and DMSO vehicle for 100% and 0% inhibition, respectively.
10173	1	KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A	The intrinsic potency for inhibition of KHK C or A activity may be measured using an enzymatic assay which measures the production of FIP. Compounds are prepared in DMSO and tested in a 10-point concentration curve, to create 3-fold serial dilutions of the compounds in a 96-well plate ranging from 20 &#956;M to 1.02 nM. Enzyme is prepared in assay buffer [50 mM 4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES), 10 mM potassium chloride, 100 mM magnesium chloride, 2 mM tris(2-carboxyethyl)phosphine (TCEP), 0.01% n-octyl glucoside] and incubated with compounds at RT for 15 min. The reaction is carried out in 100 &#956;L volumes containing substrate concentrations of fructose (250 &#956;M for KHK-C assay and 1.25 mM for KHK-A assay) and ATP (150 &#956;M for both isoforms); which are further incubated at RT for 20 min. The reaction is then halted by the addition of stop buffer; consisting of 0.2% formic acid and 1 &#956;g/ml 13C6-fructose-6-phosphate (13C6-F6P) internal standard. Plates are stored in &#8722;20° C. until RapidFire MS analysis.RapidFire MS Analysis for Quantitation of F1PAn Agilent 300 RapidFire automated extraction system (Agilent, Santa Clara, Calif.) with three HPLC quaternary pumps is coupled to an Agilent 6495 triple quadrupole mass spectrometer (Agilent Technologies, Santa Clara, Calif.) equipped with an electrospray ionization (ESI) interface source. The RapidFire Mass Spec system is equipped with a reusable RapidFire C18 (type C) solid-phase extraction (SPE) cartridge (G9205 &#8491;).Solvent A, used for sample loading and washing, is 6 mM octylamine (Acros Organics 129495000) brought to pH 5.0 using acetic acid. Solvent B, used for sample elution, is 20% water in ACN containing 0.1% formic acid. Samples are sequentially analyzed by aspirating 10 &#956;L onto the collection loop under vacuum directly from multiwell plates. The 10 &#956;L of sample is loaded onto the C18 cartridge and washed using solvent A at a flow rate of 1.25 mL/min for 5000 ms. The retained analytes are then eluted to the mass spectrometer using solvent B at a flow rate of 1.25 mL/min for 5000 ms. The system is re-equilibrated using solvent at flow rate of 1.25 mL/min for 2000 ms.The triple quadrupole mass spectrometer is equipped with an ESI source and analytes are monitored using selected reaction monitoring (SRM) in negative mode [M&#8722;H]&#8722;. F1P is monitored at m/z 259.02/96.9 and 13C6-fructose-6-phosphate is monitored at m/z 264.99/97. The area ratio values for F1P is calculated using 13C6-fructose-6-phospate as internal standard.
10175	1	LanthaScreen Eu Kinase Binding Assay TGFBR1 (ALK5)	Exemplified compounds were screened in 1% DMSO (final concentration) by 3-fold serial dilutions from 10,000 nM to 0.316 nM to produce an IC50 or at single concentrations of 10,000, 1000 and 100 nM according to the following protocol. To low volume, white 384-well plates (Greiner Cat #784207) add 160 nL 100× compound in 100% DMSO, 3.84 uL kinase buffer (50 mM HEPES, pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8 uL 2× kinase/antibody mixture in kinase buffer (final ALK5 concentration of 5 nM; final Eu-anti-GST antibody concentration of 2 nM), 4 uL 4× Tracer #178 in kinase buffer (final concentration of 5 nM). Gently shake the plates for 30 seconds and incubate at room temperature for 1 hour before reading fluorescence on a plate reader. Percent inhibition was determined compared to DMSO only control (maximal ALK5 tracer binding) and sigmoidal dose response curve fit yielded IC50 values as indicated in Table 2. For those compounds marked with an asterisk, activity was evaluated at three concentrations (10000, 1000, 10 nM) and the IC50 is depicted as less than the lowest concentration producing >50% inhibition.
10176	1	n Vitro Biological Assays	Plasmacytoid dendritic cell (pDC) enriched peripheral blood mononuclear cells (PBMCs) were prepared from the blood of a series of human donors (3-5 donors/experiment). PBMCs were isolated using Ficoll-Paque Premium (GE Healthcare, Chicago Ill.) using methods well known to those in the art. pDCs were magnetically isolated from the total recovered PBMC population using CD304 (BDCA-4/Neuropilin-1) microbeads (Miltenyi Biotec, San Diego Calif.), according to the manufacturer&#39;s instructions. Isolated pDCs were then added back to between 1 and 2×108 of the corresponding donor&#39;s PBMCs for relative enrichment of this cell type. Duplicate cultures of pDC-enriched PBMCs (2.5×106 cells/mL in RPMI-1640 media plus 10% fetal bovine serum, cultured in 96 well plates) were then incubated for 24 hours with Compound Nos. 63-02, 63-05 through 63-11, 63-13, 63-31, 63-34, 63-38 through 63-47, and their unmodified congener 1-(4-aminomethylbenzyl)-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine (Compound No. 63-00) at 10 serially diluted concentrations covering the range of 0.1 nM to 400 nM. Culture supernatants were collected and interferon-alpha (IFN&#945;) protein levels were measured by ELISA (MabTech, Cincinnati Ohio), according to the manufacturer&#39;s instructions.Monocytes were magnetically isolated from PBMCs, prepared as described above, following labeling with CD14 microbeads (Miltenyi Biotec, San Diego Calif.), according to the manufacturer&#39;s instructions. Duplicate cultures of monocytes (1×106 cells/mL in RPMI-1640 plus 10% fetal bovine serum, cultured in 96 well plates) were incubated for 24 hours with Compound Nos. 63-02, 63-05 through 63-11, 63-13, 63-31, 63-34, 63-38 through 63-47, and their unmodified congener 1-(4-aminomethylbenzyl)-2-butyl-1H-imidazo[4,5-c]quinolin-4-amine (Compound No. 63-00) at 10 serially diluted concentrations covering the range of 2 nM to 40 &#956;M. Culture supernatants were collected and tumor necrosis factor alpha (TNF&#945;) protein levels were measured by ELISA (MabTech, Cincinnati Ohio), according to the manufacturer&#39;s instructions.
10177	1	Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10178	1	Wee1 Binding Assay	Wee 1 kinase was determined by using Flurorescence Resonance Energy Transfer (FRET) assay. In 384-well plates, Wee1 kinase (2 nM final concentration) was mixed with AlexaFluor labeled tracer 178 (50 nM final concentration, Kd=24 nM), Eu-anti-GST antibody (2 nM final concentration) and then inhibitor (0.003 to 10 micromolar) in a final volume of 16 &#956;l kinase buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). The plate was shaken for 30 seconds, incubated for 60 min at RT, and recorded on fluorescence plate reader.
10179	1	Detection of MOR cAMP Agonist Activity	The experiment was performed using a cAMP detection kit from Cisbio (Cisbio #62AM4PEJ).
10179	2	Inhibition for Cytochrome P450 Isoenzymes	To test the inhibitory effects of the compounds of the present disclosure on different isoforms of human cytochrome P450 isoenzymes
10179	3	Testing of Effects on hERG Potassium Channels	To test the blocking effects of the compounds of the present disclosure on hERG potassium currents.
10180	1	In Vitro GR Luciferase Reporter Assay	Cell Line: CHO-K1-GR-MMTV-Luc reporter cellsCulture Media: DMEM (with phenol red)+10% FBSAssay Media: DMEM (without phenol red)+10% CSSCulture CHO-K1-GR-MMTV-Luc reporter cells in 15 cm plates in Culture Media at conditions less than 90% confluence.Prepare 200×DMSO 1:5 serial dilutions of control and test compounds in 96-well non-sterile V bottom plate in DMSO, 8 serial dilutions for each compound.Prepare 5× Assay Media diluted compound serial dilutions in 96-well non-sterile V bottom plate: Add 97.5 uL/well of Assay Media into 96-well then add 2.5 ul of 200× concentration of compounds and mix well.Seed cells for Antagonist Assay: 1.5×106 CHO-K1-GR-MMTV-Luc reporter cells were seeded in a Corning 3707 flat clear bottom 384-well white TC plate in 20 ul of Assay Media containing 12.5 nM Dexamethasone (final concentration=10 nM).Add compounds: 5 ul of assay media diluted compounds were added to appropriate wells and followed a quick spin (1000 rpm, 10 sec) to bring media and cells to the bottom of plate. The plates were covered with SealMate film to avoid evaporation and placed in 37° C. incubator for approximately 18-24 hours.Read plates: Equilibrate appropriate amount of Promega OneGlo luciferase reagent to room temperature. Remove the plates from incubator and add 25 uL of OneGlo reagent/well by multiple channel pipette and read the plates with Tecan F500 luminometer within 3 minutes.The ability of the compounds disclosed herein to inhibit GR activity was quantified and the respective IC50 value was determined.
10181	1	Steroid Inhibition of TBPS Binding	TBPS binding assays using rat brain cortical membranes in the presence of 5 &#956;M GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987, 241, 346-353; Hawkinson et al, Mol. Pharmacol. 1994, 46, 977-985; Lewin, A. H et al., Mol. Pharmacol. 1989, 35, 189-194).Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.Various compounds are or can be screened to determine their potential as modulators of [35S]-TBPS binding in vitro. These assays are or can be performed in accordance with the above discussed procedures.
10182	1	TR-Fret Assay	The TR-FRET assay is illustrated in FIG. 3A and FIG. 3B. The TR-FRET assay cocktail was prepared by mixing 50 nM Biotin-DCN1P, 20 nM AlexaFluor488 UBC12 peptide, and 2.5 nM Tb-Streptavidin conjugate (Life Technologies) in 25 mM Hepes, 10 mM NaCl, 0.1% Triton X-100, 0.5 mM DTT, pH 7.5. 20 ul of the cocktail was aliquoted out into black 384-well plates (Corning 8849BC) using the WellMate and incubated for about 1 hour. Compounds were introduced to the desired concentration using the Biomek and the samples were incubated at r.t. for 60 min. The TR-FRET signal was read by the Pherastar plate-reader.
10183	1	Radioactivity Assay	Table 2: Incubation conditions: Reactions were carried out in 50 mM Tris-HCl (pH 7.4) containing 10 mM MgCl2, 0.5 mM EDTA for 60 minutes at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT6 binding site.
10183	2	Radioactivity Assay	Table 3: Incubation conditions: Reactions were carried out in 67 mM Tris-HCl (pH 7.4) for 4 hours at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT2A binding site.
10184	1	Biological Assay	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 &#956;M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
10186	1	Fluorescence Assay	Examples 1-35: The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in to fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 50 &#956;l at 22° C. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.01% (v/v) Triton X-100; 100 &#956;M H-Gly-Arg-AMC and rhDPP1 ( 50 pM). Potential inhibitors were made up in DMSO and then diluted in the assay to give a final concentration of not exceeding 1% (v/v) DMSO. A 10-point half-log dilution series of the inhibitors (highest concentration typically M) was tested and the pIC50 determined using a 4-parameter logistic equation in a non-linear curve fitting routine. A standard DPP1 inhibitor, 4-amino-N-[(1S)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control in the assay. Routinely, inhibitors were pre-incubated with rhDPP1 for 30-60 min prior to the addition of the peptide substrate to start the reaction for a further 60 min at 22° C. After that the plates were immediately read in a fluorescence plate reader using the above emission and excitation wavelengths.
10186	2	Fluorescence Assay	Examples 36-37: The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1. Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 riM) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. 
10187	1	Enzymatic Assay	The assay is done using an ADP-Glo Kinase Assay Kit (Promega, Catalog #V9102) according to the manufacturer&#39;s protocol with the following modifications. Briefly, hASK1 (0.25 nM) and MKK6 (300 nM) in a buffer (10 mM MOPS pH 7.0; 10 mM Mg-Acetate; 1 mM DTT; 0.025% NP-40; 0.05% BSA; 1.5% glycerol) are incubated with ASK1 inhibitors at varying concentrations ranging from 10.00 uM to 0.17 nM for 15 minutes, followed by incubation with ATP (100 uM) for 30 minutes at room temperature. ADP-Glo Reagent is added to terminate the kinase reaction and deplete the remaining ATP. The Kinase Detection Reagent is then added to convert ADP to ATP. The newly synthesized ATP is measured using a luciferase/luciferin reaction, and the luminescence determined by Envision (PerkinElmer). 
10188	1	Enzyme Activity Assay	Table 5: Particularly, a substrate was added to a basic reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO), to which cofactors necessary for the reaction were added. Then, DYRK1A kinase was added thereto, followed by mixing well. Each compound of Examples was added thereto by using acoustic technology (Echo550; nanoliter range). The mixture was left at room temperature for 20 minutes and then 33P-ATP (specific activity 10 mCi/ml) was added to initiate the reaction. After reacting at room temperature for 2 hours, spotting was performed on P81 exchange paper. Upon completion of the reaction, kinase activity was detected using a filter-binding method.
10189	1	Enzyme Activity Assay	Test Example 4: 100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml microsome solution and 5 mM NADPH solution. The 5× concentration of the compound working solution was diluted with PBS gradient (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M). The 5× concentration of ketoconazole working solution was diluted with PBS gradient (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M). Dextromethorphan working solution was diluted with PBS to a concentration of 50 &#956;M.20 &#956;l of 2.5 mg/ml microsome solution, 20 &#956;l of 50 &#956;M testosterone working solution, 20 &#956;l of MgCl2 solution and 20 &#956;l of the compound working solution (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M, different reaction systems for each concentration) were taken respectively and mixed well. For the positive control group, the compound was replaced with the same concentration of ketoconazole. The mixture together with 5 mM NADPH solution were pre-incubated at 37° C. for 5 minutes. After 5 minutes, 20 &#956;l of NADPH were added to each well, the reaction was started and incubated for 30 minutes. All the incubated samples were present in duplicate. After 30 minutes, 250 &#956;l of acetonitrile containing internal standard were added to all samples, mixed well, shaken at 800 rpm for 10 minutes, and then centrifuged at 3700 rpm for 10 minutes. 80 &#956;l of the supernatant were taken and analyzed by LC-MS/MS.
10189	2	Enzyme Activity Assay	Test Example 5: 100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml microsome solution and 5 mM NADPH solution. The 5× concentration of the compound working solution was diluted with PBS gradient (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M). The 5× concentration of quinidine working solution was diluted with PBS gradient (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M). Dextromethorphan working solution was diluted with PBS to a concentration of 50 &#956;M.20 &#956;l of 2.5 mg/ml microsome solution, 20 &#956;l of 50 &#956;M testosterone working solution, 20 &#956;l of MgCl2 solution and 20 &#956;l of the compound working solution (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 &#956;M, different reaction systems for each concentration) were taken respectively and mixed well. For the positive control group, the compound was replaced with the same concentration of quinidine. The mixture together with 5 mM NADPH solution were pre-incubated at 37° C. for 5 minutes. After 5 minutes, 20 &#956;l of NADPH were added to each well, the reaction was started and incubated for 30 minutes. All the incubated samples were present in duplicate. After 30 minutes, 250 &#956;l of acetonitrile containing internal standard were added to all samples, mixed well, shaken at 800 rpm for 10 minutes, and then centrifuged at 3700 rpm for 10 minutes. 80 &#956;l of the supernatant were taken and analyzed by LC-MS/MS.
10190	1	Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [&#947;-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK) (SEQ ID NO:1).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).The reaction was stopped after 24 hours by the addition of 30 &#956;M phosphoric acid containing 2 mM ATP. A multiscreen phosphocellulose filter 96-well plate (Millipore, Cat no. MAPHNOB50) was pretreated with 100 &#956;L 0.2M phosphoric acid prior to the addition of 454 of the stopped assay mixture. The plate was washed with 5×2004 0.2M phosphoric acid. After drying, 100 &#956;L Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting (1450 Microbeta Liquid Scintillation Counter, Wallac).
10191	1	ERalpha (Wild Type), ERalpha (Y537ERalpha (Wild Type), ERalph (Y537S Mutant) and ERbeta Competition Binding Assay	The purpose of the following ER competition binding assays is to determine the affinity of a test compound against ER&#945; (wild type), ER&#945; (Y537S mutant), and ER&#946;.Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT, using 0.025 &#956;Ci per well 3H-estradiol (118 &#956;Ci/mmol, 1 mCi/mL), 7.2 ng/well ER&#945; (wild type), or 7.2 ng/well ER&#945; (Y537S mutant) or 7.7 ng/well ER&#946; receptor. Add the test compound at 10 different concentrations ranging from 10,000 nM to 0.5 nM, and determine nonspecific binding in the presence of 1 &#956;M of 17-&#946; estradiol. Incubate the binding reaction (140 &#956;L) for 4 hours at room temperature, and then add cold dextran-charcoal buffer (70 &#956;L) (containing per 50 mL of assay buffer, 0.75 g of charcoal and 0.25 g of dextran) to each reaction. Mix the plates for 8 minutes on an orbital shaker at 4° C. and then centrifuge at 3000 rpm at 4° C. for 10 minutes. Transfer an aliquot (120 &#956;L) of the mixture to another 96-well, white flat bottom plate (Costar) and add Perkin Elmer Optiphase Supermix scintillation fluid (175 &#956;L) to each well. Seal the plates and shake vigorously on an orbital shaker. After an incubation of 2.5 hours, read the plates in a Wallac Microbeta counter. Calculate the IC50 using a 4-parameter logistic curve fit and calculate % inhibition at 10 &#956;M. Convert the IC50 values for the compound to Ki using Cheng-Prusoff equation. The results of this assay demonstrate Examples 1, 1A, and 1B (and others) bind to recombinant ER&#945; wild type and ER&#945; mutant (Y537S) as shown in Table 7 below and Example 1B was also determined to bind to ER&#946; with a Ki (nM) ER&#946; competition of 0.11±0.07, n=3.
10188	2	Kinase Binding Assay	Table 6: LanthaScreen Eu-anti-GST Antibody (Invitrogen, PV5594) and DYRK1A (Invitrogen, PV3785) were diluted to make the final concentrations of 6 nM and 15 nM respectively in 1× kinase buffer A, resulting in the preparation of antibody/kinase mixed solution. This antibody/kinase mixed solution was added to the assay plate where the diluted compound was loaded at the concentration of 5 &#956;l/well. At this time, the final concentrations of the antibody and the DYRK1A were 2 nM and 5 nM respectively.Next, kinase tracer 236 solution (Invitrogen, PV5592) was diluted in 1× kinase buffer A to make the concentration of 45 nM. This diluted solution was added to the assay plate at the concentration of 5 &#956;l/well. At this time, the final concentration of kinase tracer 236 was 15 nM and Kd value of Kinase tracer 236 was determined through tracer titration assay.Finally, after reacting at room temperature for 1 hour, fluorescence was measured (Excitation 340 nm, Kinase Tracer Emission 665 nm, LanthaScreen Eu-anti-GST Antibody Emission 620 nm) using Synergy neo (BioTek). Emission ratio (Kinase Tracer Emission Antibody Emission) was calculated based on the measured values, which was presented as a dose-response curve.
10190	2	Inhibition Assay	Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S1105). An enzyme stock buffer solution was prepared containing all of the reagents listed above, with the exception of target peptide, ATP and the test compound of interest. This enzyme stock was pre-incubated for 30 minutes at 25° C. 8.5 &#956;L, of the enzyme stock solution was placed in a 96-well plate followed by addition of 5 &#956;l of target peptide and 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 1.5 &#956;M with 2.5-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [g-33P]ATP (final concentration 10 &#956;M). The reaction was stopped after 20 hours by the addition of 30 &#956;L, 0.3 M phosphoric acid containing 2 mM ATP. A phosphocellulose filter 96-well plate (Multiscreen HTS MAPHNOB50, Merck-Millipore, Massachusetts, USA) was pretreated with 100 &#956;L, 0.1 M phosphoric acid prior to the addition of 45 &#956;L, of the stopped assay mixture. The plate was washed with 5×200 &#956;L, 0.1 M phosphoric acid. After drying, 50 &#956;L, Optiphase SuperMix liquid scintillation cocktail (Perkin Elmer, Massachusetts, USA) was added to the well prior to scintillation counting (Wallac 1450 Microbeta Liquid Scintillation Counter, Perkin Elmer, Massachusetts, USA). 
10185	1	Plate-Based Time-Resolved Fluorescence Energy Transfer (TR-FRET) Assays	Determine the binding ability of BRD4 compounds to bromodomains of BRD2 and BRD4. 96 well plate based commercial TR-FRET Assay kits (Cayman Chemical, Ann Arbor, Mich.) were used to determine the binding ability of tested BRD4 inhibitors to the BRD4 bromodomains (BD) using the two recombinant BRD4 BDs using time-resolved fluorescence energy transfer (TR-FRET) assays. A series concentrations of BRD4 inhibitors from 0.01 nM to 100 M for 24 hours and were added into 96 well test plate and mixed with other reaction components based on the instructions from vendor followed by incubation 1 h at room temperature. The commercially available BRD inhibitor JQ1 was used as the positive control. The plate were read in time-resolved format by exciting the sample at 340 nm and reading emissions at 620 and 670 nm, using a 100 s delay and a 500 s window at a Tecan M1000 pro reader. A plot of the TR-FRET ratio (670 nm emission/620 nm emission0 versus inhibitor concentration on semi-log axes results in a sigmoidal dose-response curve typical of competitive assays.
10192	1	TarO Biochemical Enzymatic Assay	The TarO biochemical enzymatic assay is a liquid chromatography-mass spectroscopy (LC-MS) based end point assay that measures C55-P-P-GlcNAc (LIPID III) production. The TarO biochemical enzymatic assay was performed in a 384-well microtiter plate (Labcyte) with a reaction volume of 20 &#956;l. The reaction mix contained 0.1 &#956;gs/&#956;l of TarO membrane preparation derived from MRSA COL (lysostaphin/lysozyme treated, centrifuged at 40K rpm, and re-suspended in 50 mM Tris pH 7.5, 10 mM MgCl2), 1500 &#956;M UDP-GlcNAc, ×75 &#956;M C55-P substrates in 83 mM Tris pH 8.0, 6.7 mM MgCl2, 6 mM CHAPS, and 8.3% DMSO buffer. The enzyme reactions were quenched by extraction in 40 &#956;l of 1-pentanol containing 0.04 &#956;M 15C C55-PP-GlcNAc, which was used as an internal standard. A 10 &#956;l volume of the quenched reaction mixture (pH&#8776;3) from each well was injected onto a reversed-phase column (C4, 5 &#956;m, 2.1×50 mm, Thermo Scientific Biobacis-4) and eluted using a NH4Ac/H2O/MeOH gradient (solvent A: 10 mM NH4Ac in water, pH 5.6; solvent B: NH4Ac (1 M)-Isopropanol (1:90, v/v, pH 5.6). The HPLC conditions were as follows: 15% solvent B for 15 seconds followed by a gradient to 90% solvent B in 90 seconds; then solvent B was kept at 95% for 10 seconds followed by a gradient to 8% solvent B in 0.1 minute. The column was then equilibrated at 15% B for 1 minute before the next injection. The flow rate was kept constant at 600 &#956;l/minute. Mass spectrometric detection was carried out in the negative-ion mode using selected reaction monitoring (SRM). Typical mass spectrometric conditions were as follows: heated capillary temperature, 210° C.; spray voltage, 2500 V; desolvation gas (N2), 40 l/h; auxiliary gas (N2), 35 l/h. Selected ion current (SIC) chromatograms of C55-PP-GlcNAc and internal standard 15C C55-PP-GlcNAc were plotted and integrated using LCQuan incorporated in Xcalibur software (ThermoFinnigan). The linearity of C55-PP-GlcNAc concentration versus mass spectrometric signal (AC55-PP-GlcNAc/A15C-C55-PP-GlcNAc) was determined with purified C55-PP-GlcNAc. The IC50 values were calculated using the nonlinear regression analysis (sigmoidal dose response fit allowing for a variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent.
10193	1	TarO Biochemical Enzymatic Assay	The TarO biochemical enzymatic assay is a liquid chromatography-mass spectroscopy (LC-MS) based end point assay that measures C55-P-P-GlcNAc (LIPID III) production. The TarO biochemical enzymatic assay was performed in a 384-well microtiter plate (Labcyte) with a reaction volume of 20 &#956;l. The reaction mix contained 0.1 &#956;gs/&#956;l of TarO membrane preparation derived from MRSA COL (lysostaphin/lysozyme treated, centrifuged at 40K rpm, and re-suspended in 50 mM Tris pH 7.5, 10 mM MgCl2), 1500 &#956;M UDP-GlcNAc, x 75 &#956;M C55-P substrates in 83 mM Tris pH 8.0, 6.7 mM MgCl2, 6 mM CHAPS, and 8.3% DMSO buffer. The enzyme reactions were quenched by extraction in 40 &#956;l of 1-pentanol containing 0.04 &#956;M 15C C55-PP-GlcNAc, which was used as an internal standard. A 10 &#956;l volume of the quenched reaction mixture (pH&#8776;3) from each well was injected onto a reversed-phase column (C4, 5 m, 2.1×50 mm, Thermo Scientific Biobacis-4) and eluted using a NH4Ac/H2O/MeOH gradient (solvent A: 10 mM NH4Ac in water, pH 5.6; solvent B: NH4Ac (1 M)-Isopropanol (1:90, v/v, pH 5.6). The HPLC conditions were as follows: 15% solvent B for 15 seconds followed by a gradient to 90% solvent B in 90 seconds; then solvent B was kept at 95% for 10 seconds followed by a gradient to 8% solvent B in 0.1 minute. The column was then equilibrated at 15% B for 1 minute before the next injection. The flow rate was kept constant at 600 &#956;l/minute. Mass spectrometric detection was carried out in the negative-ion mode using selected reaction monitoring (SRM). Typical mass spectrometric conditions were as follows: heated capillary temperature, 210° C.; spray voltage, 2500 V; desolvation gas (N2), 40 l/h; auxiliary gas (N2), 35 l/h. Selected ion current (SIC) chromatograms of C55-PP-GlcNAc and internal standard 15C C55-PP-GlcNAc were plotted and integrated using LCQuan incorporated in Xcalibur software (ThermoFinnigan). The linearity of C55-PP-GlcNAc concentration versus mass spectrometric signal (AC55-PP-GlcNAc/A15C-C55-PP-GlcNAc) was determined with purified C55-PP-GlcNAc. The IC50 values were calculated using the nonlinear regression analysis (sigmoidal dose response fit allowing for a variable slope) of percent inhibition data with minimum and maximum values set to 0 and 100 percent.
10194	1	PPARgamma Agonist Activity	Agonist activity of the enantiomers of 5-({p-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl} methyl)-(5-2H)-1,3-thiazolidine-2,4-dione at the peroxisome proliferator-activated receptor gamma (PPAR&#947;) was evaluated in the thyroid receptor-associated protein complex, 220 kDa component (TRAP220) PPAR&#947; coactivator recruitment assay performed at Cerep (France). Briefly, a mixture of labeled PPAR&#947; and tagged TRAP220 coactivator was pre-incubated at room temperature for 30 minutes in the presence of a PPAR&#947;-targeted fluorescence acceptor and test compound. A TRAP220-targeted fluorescence donor was then added and the mixture was incubated for 120 minutes at room temperature. Next, the fluorescence signal was measured and results expressed as a percent of control (10 &#956;M rosiglitazone). A dose response curve was generated for each enantiomer and the experimental data was analyzed using the log(agonist) vs. response (three parameters) non-linear model in GraphPad Prism 6.0 (GraphPad Software, Inc., La Jolla, Calif.), with a fixed Hillslope of 1.
10195	1	in vitro BACE inhibition assay	Approximately 200 nM to 10 &#956;M substrate, approximately 10 to 200 pM enzyme, and approximately 0.1 nM to 10 &#956;M of the agent(s), in aqueous solution, at an approximate pH of 4-7, at approximately 37° C., for a time period of approximately 10 minutes to 3 hours. These incubation conditions are illustrative only, and can be varied as required for the particular assay components and/or desired measurement system. Optimization of the incubation conditions for the particular assay components should account for the specific alpha-secretase and/or beta-secretase enzyme used and its pH optimum, any additional enzymes and/or markers that might be used in the assay, and the like. Such optimization is routine and will not require undue experimentation.
10196	1	Pulldown Assay	Jurkat cells were treated with DMSO or concentration of compound indicated. 6 hours after treatment, cells were washed and harvested by resuspending in lysis buffer (50 mM Hepes pH 7.4, 150 mM NaCl, 1% NP-40, 5 mM EDTA, protease and phosphatase inhibitors) and lysing on ice 30 minutes. Lysates were cleared by centrifugation at 15,000 rpm 30 minutes. Biotin-labeled THZ1 was added to 1 &#956;M to lysates and rotated at 4° C. overnight. Streptavidin-agarose beads were washed and 30 &#956;L slurry was added to each lysate and rotated for 1 hour at 4° C. Beads were washed 5 times with lysis buffer and 50 &#956;L 2×LDS buffer was added to each sample. Samples were boiled and equal volume of protein was loaded onto gel. Gel was transferred to nitrocellulose and blotted for Cyclin K and Cyclin H.
10197	1	Coupled Diaphorase Assay	The inhibitory properties of the compounds were investigated using a coupled enzyme assay that links the lactate dehydrogenase (LDH) reaction to the production of fluorescent resorutin by diaphorase.Human lactate dehydrogenases (LDH) catalyze the reversible interconversion between pyruvate and lactate. LDH is capable of catalyzing both the forward (pyruvate to lactate) and the reverse (lactate to pyruvate) reaction, using either NADH or NAD+ as a cofactor. The reaction proceeds in either direction dependent on various factors, such as substrate availability, the presence of necessary cofactors, temperature and pH. Different isoforms (LDH A, B, and C) of the enzyme favor different reaction directions LDHA prefers the conversion from pyruvate to lactate, whereas LDHB preferentially oxidizes lactate to pyruvate.The coupled assay relies on the oxidation of NAD+ to NADH throughout the conversion of lactate to pyruvate by LDH (isoforms A, B and C). The produced NADH serves as cofactor in the diaphorase reaction, which reduces non-fluorescent resazurin to fluorescent resorufin. Therefore, the assay indirectly monitors the rate of pyruvate production. Although the consumption of NADH can be directly monitored due to the intrinsic fluorescence of the molecule (excitation: 340 nm, emission: 460 nm) there are problems linked to the direct readout method. It has been shown that many compounds in chemical libraries interfere with the assay due to fluorescent properties similar to NADH. Shifting the assay to longer wavelengths by coupling the LDH reaction to the conversion of resazurin to fluorescent resorufin by diaphorase reduces this compound interference. The assay direction was thus chosen to provide a robust and reliable assay.Applying the LDHA reaction in the preferred direction for the conversion of pyruvate to lactate under oxidation of NADH to NAD+ would necessitate running the LDHA reaction to about 80% completion and adding the diaphorase assay reagents afterwards in order to avoid enzyme competition for NADH. As a result, such a method would be expected to be more prone to errors, since too high conversion rates will lead to extenuation of the IC50 values obtained (Davis et al., ASSAY and Drug Dev. Tech. 14 (3): 175-179, 2016). When not running the assay in the preferred direction for LDHA, more conservative IC50 values would be expected to be obtained compared to earlier published results for other LDHA inhibitor compounds. Therefore, actual IC50 values could thus be expected to be lower.For the determination of IC50 values a coupled diaphorase assay was adopted from Bembenek et al. (A Fluorescence-Based Coupling Reaction for Monitoring the Activity of Recombinant Human NAD Synthetase. ASSAY and Drug Development Technologies, 2005. 3(5): 533-541). Compounds were tested in duplicates using 2-fold, 3-fold or 4-fold serial dilutions including 11 individual concentrations, starting from 5000 &#956;M to 30 &#956;M. A no-substrate control representing 100% inhibition or oxamate-inhibition controls (28.7 mM final oxamate concentration in assay) and a control containing the complete substrate solution as well as DMSO representing the fully uninhibited reaction were added. Oxamate is a well characterized inhibitor of LDH that inhibits LDH enzyme activity in the mM range in vitro with high specificity (Papacostantinou el al., J. Biol. Chem. 236: 278-284, 1961). The controls allowed for the calculation of the percentage inhibition for each data point. The assay buffer consisted of 50 mM HEPES pH 7.4, 5 mM MgCl2 and 0.05% pluronic acid F-127. Enzyme solution leading to final concentrations of 4-7 nM LDHA or 6 nM LDHB, as well as 0.2 U/ml diaphorase in the reaction well was dispensed into 384-well plates (Greiner bio-one) using a CyBi -SELMA robotic pipettor. Compound dilutions and the enzyme were incubated for at least 20 min at room temperature. Thereafter, the substrate solution was added.
10198	1	ENPP1 Inhibition Assay	Materials:Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 8 mM Thymidine 5&#8242;-monophosphate p-nitrophenol ester sodium salt (Sigma Cat #T4510). Enzyme: 5 ng/L Recombinant Human ENPP-1 Protein (R&D Cat #6136-EN-010) in DMSO in 96-well clear assay platesMethods:An eight point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 81 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO+5 &#956;L Substrate+4 &#956;L Enzyme. Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using the Envision.IC50 Calculation:IC50 values are determined using GraphPad Prism 5 software. The data were entered as an X-Y plot into the software as percent inhibition for each concentration of the drug. The concentration values of the drug were log transformed and the nonlinear regression was carried out using the &#147;sigmoidal dose-response (variable slope)&#148; option within the GraphPad software to model the data and calculate IC50 values. The IC50 values reported are the concentration of drug at which 50% inhibition was reached.
10198	2	ENPP1 Assay (TMP)	Materials:Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 1.5 mM Thymidine 5&#8242;-monophosphate disodium salt hydrate (Sigma: T4510) Assay Conc.: 150 &#956;M. Enzyme: 1 ng/&#956;L Recombinant Human ENPP-1 Protein (purified in-house) Assay Conc.: 5 ng/well of DMSO in 96-well clear assay plates.Methods:A ten point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 75 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO Dilutions+10 &#956;L Substrate+5 &#956;L Enzyme (5 ng). Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using the Envision Plate Reader.
10198	3	ENPP1 Assay (ATP)	MaterialsAssay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 100 &#956;M Adenosine 5&#8242;-triphosphate disodium salt hydrate (Promega: V703A) Assay Conc.: 10 &#956;M. Enzyme: 1 ng/&#956;L Recombinant Human ENPP-1 Protein (purified in-house) Assay Conc.: 5 ng/well of DMSO in 96-well white assay plates. Cell Titer Glo (Promega, cat #G7572).Methods:A ten point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 75 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO Dilutions+10 &#956;L Substrate+5 &#956;L Enzyme (5 ng). Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by incubation at RT for 20 minutes. To detect levels of ATP, Cell Titer Glo was added 1:1 to each well and incubated for 10 minutes. The reaction was quantified by measuring luminescence using the Envision Plate Reader.
10199	1	HPK1 Biochemical Enzyme Assay	HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 &#956;L volumes in 96-well plates, and contained 0.5 nM human full-length recombinant HPK1, 3 &#956;M phosphoacceptor peptide, 5FAM-AKRRRLSSLRA-COOH (CPC Scientific, Sunnyvale, Calif.), test compound (11-dose 3-fold serial dilutions, 2% DMSO final) or DMSO only, 0.002% Tween-20, 1 mM DTT and 2.5 mM MgCl2 in 50 mM MOPS (3-(N-morpholino)propanesulfonic acid), pH 7.8, buffer and were initiated by addition of 75 &#956;M ATP, following a 20-min preincubation. The reactions were conducted for 60 min at 37° C., stopped by the addition of 50 &#956;L of 0.015 M EDTA, pH 8, and the extent of reactions ( 15-20% conversion with no inhibitor) was determined after electrophoretic separation of the fluorescently labeled peptide substrate and phosphorylated product on an LabChip EZ Reader II (PerkinElmer, Inc., Waltham, Mass.).Inhibition of HPK1 was also measured using the fluorescence based chelation-enhanced fluorescence (CHEF) method (1), using a proprietary fluorescent peptide substrate, in which a cysteine residue is alkylated with a sulfonamido-oxine based derivative to afford an amino acid termed C-Sox (CSx). The assay was conducted similarly as described for the MSA method above, but using 3 &#956;M Ac-[CSx]HSLPRFNR-amide peptide substrate (also known as AQT0178 when purchased from AssayQuant Technologies Inc., Hopkinton, Mass.) and 45 &#956;M ATP. Initial reaction velocities were determined by following the peptide fluorescence (&#955;ex=360 nm, &#955;em=500 nm) at 30° C. for 15 min in a Tecan M1000 plate reader (Tecan Group Ltd., M nnedorf, Z rich, Switzerland). The inhibition constant (Ki) values were calculated by fitting the % conversion based (MSA method) or fluorescence based initial velocities (CHEF method) to the Morrison equation (2) for tight-binding competitive inhibition using non-linear regression method and an experimentally measured ATP Km (29 &#956;M by MSA and 19 &#956;M by CHEF, respectively). The inhibitors were shown to be ATP-competitive from kinetic and crystallographic studies. HPK1 protein was produced in-house and preactivated by autophosphorylation of enzyme with MgATP as described in the section Production of recombinant autophosphorylated full-length HPK1 .
10200	1	In Vitro Competitive Activity-Based Protein Profiling	Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L 4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49 k software.
10200	2	Preparation of Mouse Brain Proteomes from Inhibitor Treated Mice	Inhibitors were administered to wild-type C57B1/6J by oral gavage in a vehicle of polyethylene glycol. Each animal was sacrificed 4 h following administration and brain proteomes were prepared and analyzed according to previously established methods (See Niphakis, M. J., et al. (2011) ACS Chem. Neurosci. and Long, J. Z., et al. Nat. Chem. Biol. 5:37-44).
10201	1	Test of Anti HBV Activity In Vitro	8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full wells. Old liquid medium can be removed and replaced with new medium (200 &#956;L) on day 0.Formulating the compound and treating the cells in the experiment of anti virus: the compound was dissolved in DMSO to a concentration of 30 mM, and then the compound solution was diluted with DMSO to a concentration of 800 &#956;M, and then eight dilutions at 4 fold were performed, the highest concentration is 800 &#956;M. The serial diluted compound was added to the above plate at 1 &#956;L per well, the highest final concentration in the experiment is 4 &#956;M (200 fold dilution). TDF (tenofovir dipiroxil fumarate, Selleck, Cat S1400) has a highest concentration of 4 &#956;M as a positive control. 1 &#956;L of DMSO was added in to the positive control well at a final concentration of 0.5%, TDF was added in to the positive control well at a final concentration of 1 &#956;M.Detection of Viral Genomic DNA by aPCRPrimer: HBV-For-202, CAGGCGGGGTTTTTCTTGTTGA; HBV-Rev-315, GTGATTGGAGGTTGGGGACTGC. Copies of virus can be calculated using a standard curve plotted by using plasmid containing HBV genome and using SYBR Premix Ex Taq II Takara DRR081S kit and 1 &#956;L cell culture supernatant as a template. EC50 values of the compound on viral replication were calculated by a four parametric nonlinear regression model using Graphpad Prism 5 software to manage concentration viral copy number.
10202	1	etermination of IC50 of Inhibition of Enzymatic Activity of ACC1 and ACC2 by the Compound of the Present Disclosure	The degree of inhibition of the enzymatic activity of recombinant human ACC1, ACC2 proteins under in-vitro conditions by the preferred compounds of the present disclosure is determined by the following method.The principle of the method was based on the reaction of ACC protein-catalyzed acetyl-CoA to form malonyl-CoA. ATP was consumed during this reaction and ADP was produced. The produced ADP was reconverted into ATP by using ADP-Glo Kinase Kit from Promega. This part of ATP reacted with the luciferase-fluorescence in the kit, and generated chemiluminescent signals. Thus, by measuring the intensity of chemiluminescent signal, the amount of ADP produced in the catalytic reaction was reflected, thereby indirectly determining the enzymatic activity of ACC protein and the effect of the tested compound on the enzymatic activity. The main reagents used included ACC1, ACC2 proteins (purchased from BPS bioscience, ACC1 Art. No. 50200, ACC2 Art. No. 50201), acetyl-CoA (acetyl-CoA, purchased from Sigma, Art. No. A2056), NaHCO3 (purchased from Sigma, Art. No. S6014), ADP-Glo Kinase assay kit (purchased from Promega, Art. No. V9102).The test procedure was briefly described as follows: firstly, a 1× buffer solution required for the reaction was prepared, comprising: 50 mM HEPES (pH7.4 purchased from Invitrogen, Art. No. 15630), 2 mM magnesium chloride (MgCl2, purchased from Sigma, Art. No. M1028), 2 mM potassium citrate (Potassium citrate, purchased from Sigma, Art. No. 89306), 0.01% Brij-35 detergent (purchased from Merck, Art. No. 203728), 2 mM DTT (purchased from Sigma, Art. No. D0632). The test compound powder was dissolved in DMSO to prepare a stock solution having a concentration of 10 mM, followed by three-fold dilution to prepare the concentration required for the test, and each compound was set at 10 concentration points ranging from 10 &#956;m to 0.5 nM. Firstly, appropriate amount of ACC protein (2 nM) was added to a 384-well microplate, and then diluted test compound solutions were added to each well. A duplicate well was provided at each concentration, and a solution control group (blank group) and a negative control group (DMSO group) were set at the same time. The 384-well plates were then shaken on a microwell plate oscillator and incubated for 15 minutes at room temperature. Thereafter, a substrate mixture containing ATP, acetyl-CoA and NaHCO3 which was diluted with the aforementioned buffer solution was added to each well to start the reaction, and the final concentrations of the three components were respectively ATP 20 &#956;M, acetyl-CoA 10 &#956;M, and NaHCO3 30 mM. After reacting for 30 minutes at room temperature, the corresponding reaction solution and detection solution were added to each well according to the method in the specification of ADP-Glo Kinase assay kit (referring to the specification of the kit for specific methods). Finally, the relative light unit (RLU) values of each well were tested using an Envision 2104 multi-function microplate reader (Perkin Elmer). The percentage inhibition rate of a compound at a concentration on ACC enzyme activity was calculated by the following formula:Inhibition rate %=[(RLU average value of negative control wells&#8722;RLU average value of blank control wells)&#8722;(RLU average values of test wells&#8722;RLU average values of blank control wells)]/(RLU average values of negative control wells&#8722;RLU average values of blank control wells)*100Finally, nonlinear regression analysis of the logarithm of the concentration of the compound and the percentage inhibition rate of the corresponding concentration was carried out in the GraphPad Prism5 software to obtain the half maximal inhibitory concentration (IC50) of the compound.
10203	1	Syk Kinase Activity Inhibitiory Experiment	Measure of SYK protein kinase activity was carried out by using the Caliper mobility shift assay. The compound was dissolved with DMSO and diluted with kinase buffer (20 mM HEPES pH 7.5, 0.01% Triton X-100, 5 mM MgCl2, 1 mM MnCl2, 2 mM DTT), and 5 &#956;l of 5 times the final concentration of the compounds (10% DMSO) were added to 384 well plate. 10 &#956;l of 2.5 fold enzyme (with SYK) solution was added and incubated at room temperature for 10 minutes, then 10 of 2.5 fold substrate (Peptide FAM-P22) and ATP) solution was added. The mixture was incubated for 30 minutes under 28° C., and 25 &#956;l of stop buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA) was added to terminate the reaction. Conversion rate data was read by Caliper EZ Reader II (Caliper Life Sciences). Conversion rate was converted to inhibition rate data (% inhibition rate=(max&#8722;conversion rate)/(max&#8722;min)*100). The max refers to the conversion rate of the DMSO control, and min refers to the conversion rate of the enzyme-free control. The curve was drawn with the compound concentration and inhibition rate as the horizontal and vertical coordinates, and the curve was fitted with the XLFit excel add-in version 4.3.1 Software, and IC50 was calculated.
10203	2	HDAC-1 and HDAC-6 Activity Inhibition Experiment	HDAC activity was measured by the Synergy MX Multi-Function Microplate Reader. The compounds were dissolved with DMSO, and transferred to a 384 well test plate using an Echo non-contact nanoscale sonic pipetting system. 15 &#956;l of enzyme (HDAC1/HDAC6, respectively) solvent was added, and incubated at room temperature for 15 minutes, then 10 &#956;l of substrate (trypsin and Ac-peptide) solution was added. Fluorescence intensity signal was read directly on Synergy MX (fluorescence excitation 355 nm, emission fluorescence 460 nm) after cultivated at room temperature for 60 minutes. Fluorescence intensity signal was convented into inhibition rate data (% inhibition rate=(max&#8722;fluorescence intensity)/(max&#8722;min)*100). The max refers to the fluorescence intensity of the DMSO control, and min refers to the fluorescence intensity of the enzyme-free control. The curve was drawn with the compound concentration and inhibition rate as the horizontal and vertical coordinates, and the curve was fitted with the GraphPad Prism V5.0 Software, and IC50 was calculated.
10204	1	In Vitro Competitive Activity-Based Protein Assay	Proteomes (mouse brain membrane fraction or cell lysates for mouse assays; human prefrontal cortex or cell membrane fractions for human assays) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL and FAAH using ImageJ 1.43u software.
10205	1	In Vitro Enzyme Assay	Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable levels of activity. The Km of D-Serine was measured for each enzyme batch to maintain consistency; this Km was used in subsequent assays.On the day of the assay compounds were serially diluted in DMSO before being diluted 1:20 with assay buffer (20 mM Tris ph 7.4). A 5 &#956;l portion of assay buffer was added to the wells of a 384 clear base black-walled plate (Corning), 5 &#956;l of diluted compound was then added via automated plate to plate transfer using the Bravo liquid handler (Agilent technologies) followed by 5 &#956;l of human DAAO enzyme and then 5 &#956;l D-Serine 50 mM was added to all but the negative control wells (final concentration of 10 mM). Finally 5 &#956;l Amplex red reagent (Invitrogen) was added to all wells as per manufacturer&#39;s protocol. The plate was incubated for 60 minutes in the dark at 25° C. and the fluorescence in each well was measured in the Envision plate reader.
10206	1	HTRF Assay	PD-L1 His protein was prepared and added at the final concentration of 6 nM in the White opaque 384 well plate (Corning cat #3824BC). PD-L1 small molecule inhibitors were diluted by 3-fold starting from 20 &#956;M and a final concentration of 0.001 &#956;M and added to the well. PD-1 Fc protein was added at the final concentration of 6 nM. PD-L1 His protein, PD-L1 small molecule inhibitors, and PD1 Fc proteins were added to the well in this order, with each 5 &#956;l volume, and were incubated for 15 minutes at room temperature. PAb anti-Human IgG-XL665 (Cisbio, cat #61HFCXLA) and Mab anti-6HIS Tb cryptate Gold (Cisbio, cat #61HI2TLA) were mixed at 6.7 nM and 0.35 nM respectively, and total 5 &#956;l volume of mixture was added to the well and incubated at room temperature for 1 hour. The plate was read using PerkinElmer Envision plate reader and data was analyzed by Prism 6 software.
10207	1	Enzymatic Assay 1	The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 2 nM DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 2% DMSO at pH 8.0 at 32 degree celsius. The reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH enzyme was purchased from Novus (cat. no. NBP1-98916). Other chemicals were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a BMG clarion star plate-reading spectrophotometer.
10207	2	Enzymatic Assay 2	The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 1968). The assay was conducted in aqueous buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 0.4 &#956;g/mL DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 0.17% DMSO at pH 8.0 at room temperature. Compounds were added via pin transfer or via D300 digital dispenser, and the reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH (full-length, C-terminal MYC/DDK-tag) enzyme was purchased from Origene (cat. no. TP039034). Other chemicals, including leflunomide and teriflunomide, were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a Molecular Devices Spectramax M5 plate-reading spectrophotometer.
10208	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10209	1	Inhibition Assay	The CYP2D6 inhibition assays were conducted using Human Liver Microsomes purchased from Invitrogen and designed to screen potential inhibitors of Cytochrome P450 in physiological condition. Initially the following reagents/mixtures were prepared: (i) Assay buffer: 0.1 M Phosphate buffer pH 7.4 (ii) Cofactor: 15 mM stock was prepared in assay buffer. Final concentration in assay 1.5 mM (iii) Substrate 50 mM DMSO stock was prepared for Bufuralol. From this, a 10 mM sub-stock was prepared in MeCN. Further, a working stock solution of 50 &#956;M was prepared in assay buffer. Final concentration in assay 5 &#956;M (iv) Enzyme: 20 mg/mL stock was provided by the manufacturer. Final concentration in assay is 0.25 mg/mL. At the start of the experiment, various concentrations of compound (7 different concs.) or positive control (Quinidine at a single concentration) were prepared in assay buffer. For 1004 of final reaction system, 1.254 of HLM (20 mg/ml), 504 of 2× stock of test compound/reference compound (from each concentration) was added. Subsequently, 104 of substrate (Bufuralol 50 &#956;M) and 104 of Cofactor (NADPH; 15 mM) were added. The volume was increased to 1004 by adding assay buffer. The reaction was then incubated for 10 min at 37° C. After completion of the incubation period, the reaction was terminated by addition of 2004 of chilled MeOH containing internal standard (Propranolol). The samples were than centrifuged and supernatants were analyzed using LCMS/MS. The data normalization was performed with respect to internal standard and % inhibition was calculated with respect to DMSO control. 
10209	2	Inhibition Assay	The CYP3A4 inhibition assays were conducted using Human Liver Microsomes purchased from Invitrogen and designed to screen potential inhibitors of Cytochrome P450 in physiological condition. Initially the following reagents/mixtures were prepared: (i) Assay buffer: 0.1 M Phosphate buffer pH 7.4 (ii) Cofactor: 15 mM stock was prepared in assay buffer. Final concentration in assay 1.5 mM (iii) Substrate 50 mM DMSO stock was prepared for testosterone. From this a 10 mM sub-stock was prepared in MeCN. Further, a working stock solution of 700 &#956;M was prepared in assay buffer. Final concentration in assay 70 &#956;M (iv) Enzyme: 20 mg/mL stock was provided by manufacturer. Final concentration in assay was 0.5 mg/mL. At the start of the experiment, various concentrations of compound (7 different concs.) or positive control (Ketoconazole at a single concentration) were prepared in assay buffer. For 100 &#956;L of final reaction system, 2.5 &#956;L of HLM (20 mg/ml), 50 &#956;L of test compound/reference compound from each concentration was added. Subsequently, 10 &#956;L of substrate (testosterone 700 &#956;M) and 10 &#956;L of Cofactor (NADPH; 15 mM) were added. The volume was increased to 100 &#956;L by adding assay buffer. DMSO concentration was kept as 0.5% uniform across all the reactions. The reaction was then allowed to incubate for 45 min at 37° C. After completion of the incubation period, the reaction was terminated by addition of 200 &#956;L of chilled MeCN containing internal standard (Dexamethasone). The samples were than centrifuged and supernatants were analyzed using LCMS/MS. 
10210	1	Inhibition Assay	Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15 minutes of pre-incubation at RT, ATP dissolved in assay buffer is added (final concentration 5 &#956;M). The mixture is incubated for 60 minutes at 37° C. in a humidified incubator. Then, ADP Glo Reagent is added, followed by a 40 minute incubation at rt. Finally, Kinase Detection Reagent is added and the entire mixture is incubated for 40 min at RT. The luminescence signal is measured with an Envision reader to determine the amount of ADP produced. Assay buffer: 25 mM HEPES (4-(2-hydroxyethyl)-1-piperazinethanesulfonic acid), 0.1% BSA (bovine serum albumin), 10 mM MgCl2, 5 mM MnCl2, 50 mM KCl, 0.01% CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate), 10 &#956;M Na3VO4, 1 mM DTT (dithiothreitol), pH 7.5 All plates contain wells with vehicle controls instead of compound (1% DMSO) as reference for the high signal (100% CTL (100% of control), high signal), and wells without enzyme as reference for low signal (0% CTL, low signal). The luminescent signal generated is proportional to the ADP produced and is correlated with enzyme activity. The analysis of the data is performed by the calculation of the percentage of ADP production in the presence of the test compound and RIPK2 as compared to the ADP production in the presence of RIPK2 plus 50 &#956;M Gefitinib. (RLU (relative luminescence units)(sample)&#8722;RLU(low control))*100/(RLU(high value)&#8722;RLU(low control)) [RLU=relative luminescence units].
10211	1	Malachite Green Assay	5 &#956;L of 3× final concentration test compounds in DMSO or DMSO were transferred to the appropriate wells of a microtiter plate and the plate was centrifuged at 1000 rpm for 1 minute. 5 &#956;L of 3× final concentration MAT2A enzyme in assay buffer or assay buffer alone was transferred to the appropriate wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was incubated at room temperature for 15 minutes and then 5 &#956;L of 3× the L-methionine and ATP substrate mixture in assay buffer was transferred to all the test wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 5 &#956;L of malachite green detection reagent was added to all the test wells and the plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 30 minutes. The plate was read for absorbance at 620 nm on a plate reader (e.g., Infinite M1000). The high control (DMSO) with high absorbance represents no inhibition of enzymatic reaction while the low control (no enzyme) with low absorbance represents full inhibition of enzymatic reaction.
10211	2	Phosphate Sensor Fluorescence Assay	For the assay, a mixture of 1 mM L-methionine/1 mM ATP (2× final pre-stopped concentration) in assay buffer; MAT2A (2× final pre-stopped concentration) in Assay Buffer and Working Phosphate Sensor Mixture (1.5 uM Phosphate Sensor/30 mM EDTA in Assay Buffer, which is 3× final concentrations) were prepared. Test compounds or DMSO were added to the appropriate well suing D300e digital dispenser. 5 &#956;l/well of Assay Buffer was added to the wells corresponding to the negative control and 5 &#956;l/well of MAT2A was added to all the wells except for those corresponding to the negative control. After incubating the plate at room temperature for 15 minutes, 5 &#956;l/well of the 1 mM L-methionine/1 mM ATP mixture was added to all wells. The plate was centrifuged at 1000 rpm for 1 minute and then incubated at room temperature for 1 hour. 5 &#956;l of the Working Phosphate Sensor Mixture was added to all wells and the plate was centrifuged at 1000 rpm for 1 minute. The plate was read for fluorescence at 450 nm after exciting at 430 nm.
10212	1	In Vitro JAK Kinase Assay	The compounds in Table 1 were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). The data for the JAK1 and/or JAK2 inhibitors were obtained by testing the compounds in the Example J assay at 1 mM ATP.
10212	2	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
10213	1	Fluorescence Polarization Competition Assay	The assay was carried out in black half-area 96-well NBS plate (Corning), containing 15 nM of MCL-1 (BPS Bioscience), 5 nM of FITC-Bim and 3-fold serial diluted test compounds in a total volume of 50 &#956;L of assay buffer (20 mM HEPES, 50 mM NaCl, 0.002% Tween 20, 1 mM TCEP, and 1% DMSO). The reaction plate was incubated for 1 hour at room temperature. The change of anisotropy is measured with an Envision multimode plate reader (PerkinElmer) at emission wavelength 535 nm. Fluorescence polarization was calculated in mP unit and the percentage inhibition was calculated by % inhibition=100×(mPDMSO&#8722;mP)/(mPDMSO&#8722;mPPC), in which mPDMSO is the DMSO control, and mPpc is the positive control. IC50 values were determined from a 10-point dose response curve by fitting the percent inhibition against compound concentration using the GraphPad Prism software
10214	1	Measurement of DHODH Inhibitory Enzyme Activity (In Vitro Assays) 	The DHODH activity assay is a coupled enzyme assay in which oxidation of DHO and subsequent reduction of ubiquinone are stoichiometrically equivalent to the reduction of DCIP (2,6-dichlorophenol). The reduction of DCIP is accompanied by a loss of absorbance at 610 nm.
10215	1	MEK 1/2 inhibition	The IC50 for MEK1 and 2 can be measured by methods in references such as [Yamaguchi et al. (2011) International Journal of Oncology 39:23-31].
10216	1	radioligand binding assay	For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in buffer. The assay was terminated by rapid filtration, and the bound radioactive signal was determined by liquid scintillation counting.
10216	2	The functional antagonist assay	The functional antagonist assay was performed as described in Payne, S. L et al. (2002) J. Neurochem., 82: 1106-1117, hereby incorporated by reference. Specifically, [35S]GTP&#947;S binding assays were performed by incubating membranes from Dopaine D2 receptor expressing cells in a buffer supplemented with GDP and the drugs. After a defined pre-incubation period, [35S]GTP&#947;S was added to the reaction mixture. The assay was incubated and then terminated as described in the radioligand binding assay.
10217	1	Steroid Inhibition of TBPS Binding	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.[5] Various compounds are or can be screened to determine their potential as modulators of [35S]-TBPS binding in vitro
10218	1	NK-1, NK-2 and NK-3 Calcium Flux FLIPR assays	Experimental procedure for NK-1, NK-2 and NK-3 calcium flux FLIPR assay: Perform the assay in the following steps: 1) Cell preparation: thaw each cell (NK-1, NK-2 and NK-3) in 37° C. water bath with gentle shaking, transfer cell suspensions to 50 mL conical tubes and add plating media to 45 mL mark. Count cells using a ViCell for concentration. Re-suspend the cells in the growth media to a concentration of 10×105 per mL. Add 20 &#956;L per well of the cell suspension to the 384-well plates (20,000 cells/well). Place the cells at 37° C. 5% CO2 incubator overnight. 2) Calcium Flux FLIPR assay: a) Prepare Probenecid reagent by adding 1 mL FLIPR Assay Buffer to 77 mg probenecid to make 250 mM solution. b) Prepare assay reagent (2×8 &#956;M Fluo-4 Direct Loading Buffer): Thaw one vial of Fluo-4 Direct crystals, add 10 mL of FLIPR Assay Buffer to the Vial; add 0.2 mL of Probenecid to each 10 mL vial of Fluo-Direct. c) Compounds preparation: The compounds are serially diluted in 100% DMSO 1:3 for 10 pts by Echo. Then dispense 900 nL of compounds to the 384-compound plate. Remove cell plate from incubator and gently dispense 20 &#956;L of 2×Fluo-4 Direct to 384 well cell culture plate. Incubate for 50 min at 37° C. 5% CO2 and 10 min at room temperature. Remove cell plate from incubator and place it into FLIPR (Molecular Devices). Place compound plate and tip box into FLIPR. For the dose response curve (DRC) plate: a) Run the Protocol on FLIPRTETRA. b) Transfer 10 &#956;L of assay buffer from 384-well plate to the cell plates. c) Read fluorescence signal. d) Transfer 10 &#956;L of the compounds from the DRC plate to the cell plates. e) Read fluorescence signal. f) Calculate the Max-Min starting from Read 90 to Maximum allowed. Calculate the EC80 values for each cell line using FLIPR. g) Prepare 6×EC80 concentrations of agonist reference compounds. For the compound plate in antagonist test: a) Run the Protocol on FLIPRTETRA. b) Transfer 10 &#956;L of references and compounds from the compound plate to the cell plates. c) Read fluorescence signal. d) Transfer 10 &#956;L of 6×EC80 concentrations of agonist reference compounds to the cell plates. e) Read fluorescence signal. f) For antagonist test, calculate the Max-Min starting from Read 90 to Maximum allowed. h) Analyze the data using GraphPad Prism 5.0.
10218	2	Tag-Lite Tachykinin NK-1 receptor binding assay	Experimental procedure for competitive binding (Ki determination): Perform CisBio&#39;s Tag-Lite Tachykinin NK-1 binding assay according to manufacturer&#39;s protocol. Briefly, prepare each test compound in 8 points of concentration. Dilute compound with 1×TLB to an initial concentration of 40 nM (C1). Starting with the C1 solution (40 nM), prepare &#8533; serial dilutions in 1×TLB by adding 10 &#956;L C1 to 40 &#956;L of 1×TLB, mix gently and repeat the &#8533; serial dilutions to prepare C2, C3, C4, C5, C6, C7, C8 solutions. For competition dose-response of compounds, the optimal fluorescent ligand concentration is the one that allows 50% Ka of receptor binding. Add 5 &#956;L of fluorescent ligand stock solution (10000 nM) to 1245 &#956;L of 1×TLB, mix gently to obtain the 40 nM working solution. Competitive binding assay was run in duplicate for all assay points. Combine 10 &#956;L labeled cells into each well; 5 &#956;L compound dilutions (C1-C8) into each appropriate well; repeat for each compound tested, and 5 &#956;L fluorescent ligand into each well. Incubate 2 h at room temperature, read the Signal665nm and Signal620nm using Evision. Data analysis was performed by calculating the Ratio following the formula below, the competitive binding data for each compound was analyzed with GraphPad Prism 5.0, and IC50 value was calculated for each compound.
10219	1	Calcium++ Mobilization Assay	U937 cells (ATCC CRL-1593.2) were cultivated in RPMI1640 medium supplemented with 10% fetal bovine serum in a standard cell culture incubator. The day before conducting the assay, Dibutyryl-cAMP (0.5 mM working concentration) was added to cell cultures. Next day, cells were spun and resuspended in RPMI 1640 to a concentration of 40,000 cells per 50 &#956;l. 40,000 cells were plated in one well in a 96 well poly-D-lysine coated plate for two hours to allow cells to adhere. After cell adherence, cytoplasmic calcium++ indicator (FLIPR Calcium 6 Assay Kit, Molecular Devices) was added to each well and incubated for 75 minutes at 37° C. Test compounds were diluted using a robotic liquid handler. The tips of the robotic liquid handler were changed after each mixing step. Test compounds were added into cell cultures at various concentrations (0.01 nM to 100 &#956;M) for 15 minutes at 37° C. The cell culture plates were then incubated at room temperature for 30 minutes before being placed into Flexstation-3 plate reader (Molecular Devices). The Flexstation-3 was programmed to add recombinant C5a protein at various concentrations (1 nM to 10 nM) to cell culture plates and to monitor the change of fluorescence intensity, which correlates with cytoplasmic calcium concentration. 
10220	1	URAT1 inhibition assay	The IC50 value of URAT1 inhibition for the crystalline form A of TY706 of the present invention was determined according to the following method:After trypsin digestion, both the expression cells (HEK293) that stably express the URAT1 gene and mock cells were seeded into a lysine-coated 24-well culture plate with a cell seeding density of 1×105 cells/well, and cultured in an incubator with 5% CO2 at 37° C. under saturated humidity for 2 days. The culture medium was removed from the culture plate, and the cultured cells were washed twice with DPBS, and incubated in DPBS buffer at 37° C. for 10 min 500 &#956;L of solutions containing radio-labeled probe substrate ([8-14C] uric acid) and a series of concentrations (0.001-10 &#956;M) of the test compounds or a blank solution were then used to replace DPBS. The concentration of [8-14C] uric acid was 30 &#956;M, and the radiation intensity was 0.867 &#956;Ci per well. After 2 min, the reaction was terminated with DPBS buffer solution in ice bath and washed 3 times. Then, 500 &#956;L of 0.1 mol/L NaOH was added to each well to lyse the cells, and the lysate was extracted into a scintillation vial. 3 mL of scintillation liquid (Aquasol-2) was added, and Tri-Carb 2910TR liquid scintillation counter (PerkinElmer, Waltham, USA) was used to determine the radiation intensity in the sample.
10221	1	 In Vitro Test of Inhibition of Human FP Receptor Activity	For the characterization of test substances in respect of FP antagonism, PGF2&#945;-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS093C) was used.3000 cells in 30 &#956;l of full medium [DMEM F12, 10% FCS, 1.35 mM sodium pyruvate, 20 mM HEPES, 4 mM GlutaMAX , 2% sodium bicarbonate, 1% Pen/Strep, 1% 100× non-essential amino acids] are sown per well of a 384 multititre plate (from Greiner, TC plate, black with clear base) and incubated at 33° C., 5% CO2 for 24 hours. Prior to the measurement, the medium is replaced by 30 &#956;l of Fluo-8 AM loading buffer [calcium-free Tyrode (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 4.8 mM NaHCO3, pH 7.4), 2 mM CaCl2, 6.3 mM Probenecid, 5 PM Fluo-8 AM, 0.0112% Pluronic] and incubated at 37° C., 5% CO2 for 30 minutes. The test substance is prepared in DMSO in various concentrations as a dose-response curve (starting concentration 10 mM, dilution factor 3.16) and prediluted 1:50 with calcium-free Tyrode, 2 mM CaCl2, 0.002% SmartBlock (from CANDOR Bioscience GmbH). 10 &#956;l of the prediluted substance solution are added to the Fluo-8-laden cells and incubated at 37° C., 5% CO2 for 10 minutes. The FP receptor is activated by adding 40 &#956;l of 2 nM (final concentration) PGF2&#945; in calcium-free Tyrode, 2 mM CaCl2, 0.002% SmartBlock, and the calcium flux is determined by measuring the fluorescence at ex. 470 nm/em. 525 nm in a fluorescence measuring instrument (FLIPR Tetra, Molecular Devices) for 120 seconds.
10222	1	Kinase Assays	The concentration dependent ability of compounds to inhibit human p38&#945; MAPK, p38&#946; MAPK and CK-1&#948; were done essentially as described in J. Neurosci. 2012, 32, 10201 (herein incorporated by reference in its entirety) and by use of commercially available Millipore Drug Discovery and Development services. IC50 values were calculated by generating a 10-11 point curve and analyzed using nonlinear regression curve fit in GraphPad Prism statistical software. Z-factor (&#8805;0.5) calculation and % CV (<20%) were calculated for each assay. Large-scale kinome screens were done using the commercially available Millipore Profiler test systems (www.millipore.com) that included >291 protein kinases representative of all major kinome branches as well as isoforms of individual families. The NCBI Entrez identifier for each kinase is provided at the vendor site. A hierarchal analysis was done on inhibitors. First, an initial screen was done where each inhibitor was tested at a fixed concentration (20,000 nM) against a panel of protein kinase targets covering the major branches of the kinome, using an ATP concentration for each kinase at or near their apparent Km. Second, preliminary hits from the profiler screen were validated by a follow-up concentration dependent test of the inhibitor to obtain an IC50 value for the inhibitor and a given kinase in order to confirm the hit as positive. Third, kinetic analyses to determine a Ki value were done on confirmed positives with IC50 values<1,000 nM.The commercially available europium competitive active site binding assay (LanthaScreen Eu Kinase Binding Assay, Invitrogen Life Science Technologies, Grand Island, N.Y., USA) that is based on time-resolved fluorescence resonance energy transfer (TR-FRET) technology was used to test for competitive binding to the non-activated form of p38&#945; MAPK. IC50 values were generated from triplicate 12-point curves. Assays were performed in a 384 well plate format (Corning cat No. 3673) in a final volume of 15 &#956;L containing 5 nM kinase (Invitrogen cat No. PV3305), 5 nM tracer (Invitrogen cat No. PV5830), 2 nM antibody (Invitrogen cat No. PV5594). Plates were centrifuged (240 g, 5 min) to mix ingredients, incubation done for 60 min at 25° C., and plates centrifuged (240 g, 5 min) to concentrate reaction mixtures in the plate bottom well. Readings were taken in an En Vision Plate Reader (Perkin Elmer; Waltham Mass., USA) using a dichroic mirror and excitation at wavelength 340 nm (30 nm bandpass) and emission at 665 nm (10 nm bandpass) and 615 nm (10 nm bandpass). Delay time was 100 &#956;s, and integration time 200 &#956;s. The emission ratio was determined by dividing the acceptor/tracer emission (665 nM) by the antibody/donor emission (615 nM). Data were expressed as percent of the maximal binding activity, as determined by the emission ratio, and IC50 values were calculated using GraphPad Prism, version 5.0a, by a nonlinear regression data analysis of log inhibitor concentration versus emission ratio.
10224	1	Cellular In Vitro Assay for Determining Vasopressin Receptor Activity	The identification of agonists and antagonists of the V1a and V2 vasopressin receptors from humans, rats and dogs as well as the quantification of the activity of the compounds of the invention is carried out using recombinant cell lines. These cell lines originally derive from a hamster&#39;s ovary epithelial cell (Chinese Hamster Ovary, CHO K1, ATCC: American Type Culture Collection, Manassas, Va. 20108, USA). The test cell lines constitutively express the human, rat or dog V1a or V2 receptors. In case of the G&#945;q-coupled V1a receptors, cells are also stably transfected with a modified form of the calcium-sensitive photoproteins aequorin (human and rat V1a) or obe-lin (dog V1a), which, after reconstitution with the cofactor coelenterazine, emit light when there are increases in free calcium concentrations [Rizzuto R, Simpson A W, Brini M, Pozzan T, Nature 358, 325-327 (1992); Illarionov B A, Bondar V S, Illarionova V A, Vysotski E S, Gene 153 (2), 273-274 (1995)]. The resulting vasopressin receptor cells react to stimulation of the recombinantly expressed Via receptors by intracellular release of calcium ions, which can be quantified by the resulting photoprotein luminescence. The Gs-coupled V2 receptors are stably transfected into cell lines expressing the gene for firefly luciferase under control of a CRE-responsible promoter. Activation of V2 receptors induces the activation of the CRE-responsive promoter via cAMP increase, thereby inducing the expression of firefly luciferase. The light emitted by photoproteins of V1a cell lines as well as the light emitted by firefly luciferase of V2 cell lines corresponds to the activation or inhibition of the respective vasopressin receptor. The bioluminescence of the cell lines is detected using a suitable luminometer [Milligan G, Marshall F, Rees S, Trends in Pharmacological Sciences 17, 235-237 (1996)].
10225	1	Biochemical Antagonist Activity on Wild Type (WT) and Mutants	Antagonistic potency of compounds was evaluated using LanthaScreen TR-FRET ER&#945; Coactivator Assay (ThermoFisher) with modifications. It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ER&#945;298-554 protein representing ER&#945; ligand-binding domain, (ii) Tb-labeled His6 antibody, (iii) a fluorescein-labeled PGC1a coactivator peptide (EAEEPSLLKKLLLAPANTQ), and (iv) estradiol, results in a decrease of the TR-FRET signal due to dissociation of the coactivator peptide. His6-ER&#945;298-554 proteins were expressed as WT or D538G or Y537S mutants in E. coli and purified by affinity chromatography. The assay works in a homogeneous mix-and-read format. In a typical experiment, a 4 &#956;L mixture of 0.5 nM His6-ER&#945;298-554, 0.5 nM Tb-labeled His6 antibody, 250 nM PGC1a peptide, and 3 nM estradiol (or 10 nM estradiol) in 100 mM potassium phosphate, pH 7.4, 0.01% Tween-20, 0.02% NaN3, 5 mM DTT, was added to 40 nL test compound in DMSO and incubated overnight at room temperature. The TR-FRET 520:495 nm emission ratio was calculated and used to determine the IC50 value from a dose response curve fit to the 4-parameter logistic equation.
10226	1	In Vitro Competitive Activity-Based Protein Profiling	Proteomes (mouse brain membrane fraction or cell lysates for mouse assays; human prefrontal cortex or PC3 cell membrane fractions for human assays) (50 &#956;L, 1.0 or 2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or JW912 or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL and FAAH using ImageJ 1.43u software. IC50 data from this assay is shown in Table 1.
10227	1	[35S]GTPgammaS Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.). All the results presented are means of several independent experiments and analyzed by non-linear regression methods using the commercially available program Prism (GraphPad, San Diego, Calif.) providing the EC50 values detailed in Table 13.
10228	1	Ebola Antiviral Assay (EBOV)	HEp-2 cells were plated in 96-well plates at the density of 40,000 cells/well. On the next day, modified vaccinia virus Ankara-T7 (MVA-T7) at the multiplicity of infection of 1 was added to provide T7 RNA polymerase. After 2 hours of viral transduction, each well was transfected with Lipofectamine2000 (Thermo Fisher) with 0.01 g mixture of 6 plasmids including Ebola minigenome, plasmids encoding Ebola L, NP, VP-35, VP-30 proteins. After 48 hours of further incubation, cells were lysed with RIPA buffer (Pierce), transferred to a black 96-well plate and the fluorescence was read at 0.1 sec/well at ex485 nm, emission 535 nm on a Victor plate reader. Sigmoidal dose-response curves used to generate 50% inhibitory or effective concentrations were analyzed by nonlinear regression using the four-parameter logistic equation (GraphPad Prism).
10228	2	Rhinovirus antiviral assay (HRV1B)	HeLa-OHIO cells (Sigma-Aldrich, St. Louis, Mo.) were plated in 96 well plates at a density of 1.5×105 cells per well in assay media (MEM without phenol red or L-glutamine, supplemented with 1% FBS, 1% penicillin/streptomycin, 2 mM GlutaGro, and 1×MEM nonessential amino acids, all from Cellgro, Manassas, Va.). Assay setup took place after allowing cells to adhere for 24 h. Compounds dissolved in DMSO were serially diluted in assay media to 2× final concentration. Media was aspirated from the cells, and 100 &#956;l media with compound was added in triplicate. Human rhinovirus 1B (ATCC, Manassas, Va.) was diluted in assay media, and 100 &#956;L was added to cells and compound. The virus inoculum was selected to cause 80-90% cytopathic effect in 4 d. Infected cells were incubated for 4 d at 33° C., 5% CO2. To develop the assay, 100 &#956;L media was replaced with 100 &#956;L CellTiter-Glo reagent (Promega, Madison, Wis.), and incubated for 10 mins at RT. Luminescence was measured on a Victor X3 multi-label plate reader. 
10228	3	Coronavirus Antiviral Assay	The human &#946;-coronavirus strain OC43 was purchased from ATCC (Manassas, Va.; item numbers VR-1558 and VR-740, respectively). 24 hours prior to dosing, HeLa human cervix epithelial cells (ATCC, CCL-2) or MRC-5 human lung fibroblast (ATCC, CCL-171) were plated in 96 well plates at a density of 1.5×105/ml in DMEM medium supplemented with 10% fetal bovine serum, 1% HEPES buffer, 1% Penicillin/Streptomycin and 1% non-essential amino acids (all Mediatech, Manassas, Va.). At the day of infection, serially diluted compounds were added to cells and incubated for 4 hours. After the end of the 4 hour pre-incubation period, cells were infected with either coronavirus strain OC43 or 229E. The virus inoculum was selected to cause 80-90% cytopathic effect. Infected cells were incubated for five days at 37° C., 5% CO2. To develop the assay, 100 &#956;l media was replaced with 100 &#956;l CellTiter-Glo reagent (Promega, Madison, Wis.), and incubated for 10 min at room temperature. Luminescence was measured on a Victor X3 multi-label plate reader. Potential compound cytotoxicity was determined using uninfected parallel cultures.
10228	4	Dengue Antiviral Assay (DENV)	The Dengue virus type 2 strain New Guniea C (NG-C) and the Dengue virus type 4 strain H241 were purchased from ATCC (Manassas, Va.; item numbers VR-1584 and VR-1490, respectively). 24 hours prior to dosing, Huh-7.5 cells were plated in 96 well plates at a density of 1.5×105/ml in DMEM medium supplemented with 10% fetal bovine serum, 1% HEPES buffer, 1% Penicillin/Streptomycin and 1% non-essential amino acids (all Mediatech, Manassas, Va.). At the day of infection, serially diluted compounds were added to cells and incubated for 4 hours. After the end of the 4 hour pre-incubation period, cells were infected with either Dengue virus type 2 NG-C or Dengue virus type 4 H241. The virus inoculum was selected to cause 80-90% cytopathic effect in five to six days. Infected cells were incubated for five (NG-C) to six (H241) days at 37° C., 5% CO2. To develop the assay, 100 &#956;l media was replaced with 100 &#956;l CellTiter-Glo reagent (Promega, Madison, Wis.), and incubated for 10 min at room temperature. Luminescence was measured on a Victor X3 multi-label plate reader. Potential compound cytotoxicity was determined using uninfected parallel cultures.
10228	5	RSV Antiviral Assay (RSV)	The HeLa-derived cells containing the stable RSV replicon were cultured in DMEM containing 4500 mg/L D-glucose, L-glutamine, and 110 mg/L sodium pyruvate. The medium was further supplemented with 10% (v/v) FBS (Mediatech), 1% (v/v) penicillin/streptomycin (Mediatech), and 10 &#956;g/mL of Blasticidin (BSD) (Invivogen). Cells were maintained at 37° C. in a humidified 5% CO2 atmosphere. On the first day, 5000 RSV replicon cells per well were plated in a 96-well plate. On the following day, compounds to be tested were solubilized in 100% DMSO to 100×the desired final testing concentration. Cells were incubated with compounds for 7 days at 37° C. in a 5% CO2 atmosphere before measurement of the luciferase readout. Cell viability (CC50) was measured with a CellTiter-Glo cell proliferation assay (Promega).
10228	6	Rhinovirus Polymerase (HRV1bpol) and HCV Polymerase (HCVpol) Assays	The enzyme activity of hepatitis C virus RNA polymerase (HCVpol) and human rhinovirus 16 RNA polymerase (HRV16pol) is measured as an incorporation of tritiated NMP into acid-insoluble RNA products. HCVpol and HRV16pol assay reactions contain 30-100 nM recombinant enzyme, 50-500 nM heteropolymeric RNA, 0.5 &#956;Ci tritiated NTP, 0.1-1 &#956;M of other NTPs, in a standard reaction buffer containing MgCl2. Enzymatic reactions are incubated for 2.5 hours at 30° C., in the presence of increasing concentration of inhibitor. At the end of the reaction, the total RNA is precipitated with 10% TCA, and acid-insoluble RNA products are filtered on a size exclusion 96-well plate. After washing of the plate, scintillation liquid is added and radiolabeled RNA products are detected according to standard procedures with a Trilux Microbeta scintillation counter.
10228	7	Dengue Polymerase Assay (DENVpol)	The enzyme activity of dengue virus NS5 polymerase domain (DENVpol, serotype 2, New Guinea C strain) was measured as an incorporation of tritiated NMP into acid-insoluble RNA products. DENVpol assay reactions contained 100 nM recombinant enzyme, 50 nM heteropolymeric RNA, about 0.5 &#956;Ci tritiated NTP, 0.33 &#956;M of competing cold NTP, 40 mM HEPES (pH 7.5), 3 mM dithiothreitol, and 2 mM MgCl2. Standard reactions were incubated for 3 hours at 30° C., in the presence of increasing concentration of inhibitor. At the end of the reaction, RNA was precipitated with 10% TCA, and acid-insoluble RNA products were filtered on a size exclusion 96-well plate. After washing of the plate, scintillation liquid was added and radiolabeled RNA products were detected according to standard procedures with a Trilux Topcount scintillation counter. The compound concentration at which the enzyme-catalyzed rate was reduced by 50% (IC50) was calculated by fitting the data to a non-linear regression (sigmoidal).
10228	8	RSV Polymerase Assay (RSVpol)	Standard RSV polymerase assays were conducted in the presence of 3 &#956;L extract of RSV-infected cells in a reaction buffer containing 50 mM tris-acetate pH 8, 120 mM K-acetate, 4.5 mM MgCl2, 5% glycerol, 2 mM EDTA, 50 &#956;g/ml BSA, and 3 mM DTT. Varying concentration of NTPs were used to initiate RNA synthesis for 120 minutes at 30 degrees, and radioactive 33P GTP (15 &#956;Ci) was used as tracer. The reaction was stopped by adding 50 mM EDTA, and RNA samples were purified through G-50 size exclusion spin columns and phenol-chloroform extraction. The radio-labeled RNA products were resolved by electrophoresis on a 6% polyacrylamide TBE gel, and visualized and quantitated after being exposed on a phosphorImager screen. Polymerase inhibition experiments (IC50s) were conducted the same way in the presence of increasing concentration of NTP analogs.
10229	1	Whole-Cell Patch Clamp of Mammalian Cells (Ionworks Barracuda (IWB))	The whole-cell patch-clamp technique was used to investigate the effects of positive allosteric modulating activity of test compounds on GlunN1/GluN2A and GluN2B glutamate receptors expressed in mammalian cells.HEK293 cells were transformed with adenovirus 5 DNA and transfected with cDNA encoding the human GRIN1/GRIN2A genes. Stable transfectants were selected using G418 and Zeocin-resistance genes incorporated into the expression plasmid and selection pressure maintained with G418 and Zeocin in the medium. Cells were cultured in Dulbecco&#39;s Modified Eagle Medium/Nutrient Mixture (D-MEM/F-12) supplemented with 10% fetal bovine serum, 100 &#956;g/ml penicillin G sodium, 100 &#956;g/ml streptomycin sulphate, 100 &#956;g/ml Zeocin, 5 &#956;g/ml blasticidin and 500 &#956;g/ml G418.Test article effects were evaluated in 8-point concentration-response format (4 replicate wells/concentration). All test and control solutions contained 0.3% DMSO and 0.01% Kolliphor EL (C5135, Sigma). The test article formulations were loaded in a 384-well compound plate using an automated liquid handling system (SciClone ALH3000, Caliper LifeScienses).
10230	1	Automated Patch-Clamp System (OPatch HTX)	Cells are transferred as suspension in serum-free medium to the QPatch HTX system and kept in the cell storage tank/stirrer during experiments. All solutions applied to cells including the intracellular solution will be maintained at room temperature (19° C. to 30° C.).During the sealing process standard bath solution described above will be used. All solutions applied to cells including the pipette solution will be maintained at room temperature (19° C. to 30° C.). After formation of a Gigaohm seal between the patch electrodes and transfected individual HEK293 cells only Mg-free bath solution will be perfused and the cell membrane will be ruptured to assure electrical access to the cell interior (whole-cell patch-configuration). Inward currents will be measured upon application of 300 &#956;M NMDA (and 8.0 &#956;M Glycine) to patch-clamped cells for 5 sec. During the entire experiment the cells will be voltage-clamped at a holding potential of &#8722;80 mV. 
10231	1	TSP1 inhibitory activity	As referred to herein, the TSP1 inhibitory activity refers to the activity to inhibit one or more effects of TSP1, including angiostatic effect. The TSP1 inhibitory activity is measured by a cell adhesion inhibition assay using human TSP1 and vascular endothelial cells as described hereinbelow in the Examples section. In this assay, when the 50% inhibitory concentration (IC5O) of a test substance is 200 nM or less, the test substance is determined to have TSP1 inhibitory activity.
10232	1	Chromogenic Enzyme Activity Assays	In general, proteolytic activity was tested by monitoring the cleavage of the specific chromogenic substrate at 405 nm wavelength for 60 or 120 minutes in a Tecan Spark M10 or Tecan Genios Pro plate reader at 37° C. After optimization of assay conditions, every enzyme was tested in 100 &#956;L final volume with 500 &#956;M chromogenic substrate. Where applicable, inhibitor and enzyme were pre-incubated for 10 minutes in the buffer at 37° C. before substrate addition. Compounds were pre-solved in DMSO and used in the assays with a final DMSO concentration of 3% (v/v). n order to determine KM values, the assays were performed as described but with differing substrate concentrations (10 &#956;M to 4 mM). Specific activity was calculated and plotted against substrate concentrations in GraphPad Prism 5 software. Michaelis-Menten (software built-in) analysis was used to calculate the KM values. In order to determine IC50 and Ki values, enzyme assays were performed with differing inhibitor concentrations (2.5 nM to 20/200 &#956;M), specific activities were calculated, and plotted against log inhibitor concentrations in GraphPad Prism 5 software. One site Fit Ki and One site Fit log IC50 (software built-in) analysis were used to calculate IC50 and Ki values.
10233	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay for Direct cAMP Measurement	The HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer&#39;s instructions, in 20 L total volume per well in 384-well plate format (ProxiPlates; PerkinElmer, Fremont, Calif.; catalog #6008280). To each of the experimental wells was transferred 1500 recombinant CHO-K1 cells in 5 &#956;L phosphate buffered saline containing calcium chloride and magnesium chloride (PBS+; Invitrogen, Carlsbad, Calif.; catalog #14040) supplemented with IBMX (250 &#956;M) and rolipram (20 &#956;M) (phosphodiesterase inhibitors; Sigma-Aldrich, St. Louis, Mo.; catalog #15879 and catalog #R6520, respectively), followed by test compound in 5 &#956;L compound buffer (PBS+supplemented with 10 &#956;L NKH477 (water-soluble forskolin derivative; SignaGen Laboratories, Gaithersburg, Md.; catalog #PKI-NKH477-010)) or 5 L compound buffer. The plate was then incubated at room temperature for 1 h. To each well was then added 5 &#956;L cAMP-d2 conjugate in lysis buffer and 5 &#956;L Cryptate conjugate in lysis buffer according to the kit manufacturer&#39;s instructions. The plate was then further incubated at room temperature for 1 hour, after which the assay plate was read.
10234	1	FRET Assay	Seed each cell lines (1×105 cells/well) into 96-well plates prior to experimentation.Incubate at 37° C. in 5% CO, for 24 hours.Wash each well with assay buffer (140 mM NaCl, 4:5 mM KCl, 10 mM D-Glucose, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, pH 7.4 adjusted with NaOH) twice.Add 1st loading solution containing 10 microM PTS18 and 0.06% Pluronic F-127 in assay buffer.Incubate the plate at rt in dark for 1 hour.Remove 1st loading solution and add 2nd loading solution containing 12.5 microM DiSBAC2(3), 1.25 mM Xylene Fast Yellow and 0.0075% Pluronic F-127 in assay buffer.Place the plate under the dark at rt for 25 minutes.Add compound solutions into the assay plate.Set the assay plate in FDSS and place an EFS device on the plate.Measure EFS-induced fluorescent response by FDSS.
10235	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). Compounds having an IC50 of 1 &#956;M or less were considered active.
10236	1	Enzymatic Activity Assay	A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the present disclosure. Serial dilutions of test compounds were incubated with human recombinant BTK (0.5 nM), ATP (16 &#956;M) and a phosphoacceptor peptide substrate FAM-GEEPLYWSFPAKKK-NH2 (1 &#956;M) at room temperature for 3 h. The reaction was then terminated with EDTA, final concentration 20 mM and the phosphorylated reaction product was quantified on a Caliper Desktop Profiler (Caliper LabChip 3000). Percent inhibition was calculated for each compound dilution and the concentration that produced 50% inhibition was calculated.
10237	1	 Lantha Screening Kinase Assay	BTK: The compound was predissolved in 100% DMSO. 10 mM drug stock solution was obtained by dissolution at room temperature and then serially diluted with 8 vol % DMSO solution to a final concentration of 10-0.005 &#956;M. 2.5 &#956;l of a solution of substance to be tested and 2.5 &#956;l of kinase (Invitrogen PV3363) diluted with the reaction buffer were added into each well of 384-well plate (Corning 3676), and then the mixture of Fluososcei-PolyGT (Invitrogen PV3610) substrate and ATP (Invitrogen PV3227) diluted with 5 &#956;l of the reaction buffer were added to initiate the reaction. Among the wells, the kinase in the blank well was replaced with a reaction buffer and the kinase well (Enzyme) was not added with any drug. After shaking at 25° C. for 60 minutes in the dark, 10 &#956;l of Detection Solution (mixture of Invitrogen PV3528 and EDTA, which was diluted with TR-FRET dilution buffer, the working concentration of EDTA was 5 mM, the working concentration of Lanthascreening Tb PY20 antibody was 0.2 nM) was added and shaken at room temperature for 30 minutes. The plates were read on a VictorX5 fluorescent plate reader (PerkinElmer) and the light absorption at an excitation wavelength of 340 nm and emission wavelengths of 500 nm and 520 nm was measured.
10237	2	Kinase Inhibition Assay	EGFR: The working concentration of each component in 10 &#956;l wild-type EGFR kinase reaction system was: 10 &#956;M ATP, 0.8 ng/&#956;l wild-type EGFR kinase (Invitrogen, PV3872), 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). After the compounds to be tested were added, the final concentration of DMSO was 2%. 10 mM drug stock solutions dissolved at room temperature were gradiently diluted with 4% DMSO in water to a final concentrations of 10-0.005 &#956;M. To each well were added 2.5 &#956;l of a solution of the test compounds and 5 &#956;l of a mixture of wild-type EGFR kinase and Tyr04 substrate diluted by a reaction buffer, and then 2.5 &#956;l of ATP was added to initiate the reaction. Reaction buffer instead of ATP were added to C1 wells, no drugs were added to C2 wells, and the phosphorylated substrates were added to C3 wells according to the instruction. After shaking on a shaker at 25° C. for 60 minutes in the dark, 5 &#956;l of Development Reagent B (Invitrogen, diluted with TR-FRET dilution buffer) was added, and reacted on a shaking table at room temperature for 60 min. The plates were read in a VictorX5 fluorescent microplate reader (PerkinElmer) and the light absorbance at an excitation wavelength of 405 nm and emission wavelengths of 450 nm and 520 nm was measured (For example, C3520nm represents the reading of C3 well at 520 nm).
10238	1	In Vitro Kinase Assay	The enzymatic activities against PI3K-&#945;, PI3K-&#946;, PI3K-&#947; and PI3K-&#948; were tested in ADAPTA assays. Activity against AURKB and AURKB were tested in Z&#8242;-Lyte assays. All assays were performed with ATP concentrations of Km for each kinase. BRD4_1 binding was tested using an AlphaScreen assay. All protocols are available from Life Technologies. 
10239	1	Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip R technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip R 3000 according to the manufacturer&#39;s specifications. 
10240	1	Scintillation Proximity Assay (SPA)	The inhibition of recombinant human (rh) PDE5A by test compounds is measured in a radiometric assay based on Scintillation Proximity Assay (SPA) technology. The substrate [3H]cGMP/cGMP is hydrolysed to [3H] 5&#8242; GMP/5&#8242; GMP contingent on the activity of rhPDE5A. The ensuing [3H] 5&#8242; GMP/5&#8242; GMP but not [3H] cGMP/cGMP binds to SPA yttrium silicate beads in the presence of Zn++ stimulating the scintillant within the bead to emit light that is detected by a -counter. The assay is performed in a 96 well format.The assay is done in 20 mM Tris HCl pH 7.4, 5 mM MgCl2, 0. &#956;M cGMP/[3H] cGMP (about 60000 dpm/well) substrate with rhPDE5A1 (GST tagged, SIGMA E9034) added to an amount not exceeding 20% cGMP hydrolysis within 20 min in Tris 20 mM pH 7.4 supplemented with 0.01% bovine serum albumin (BSA) in the presence of test compounds or vehicle (0.1% DMSO). The final assay volume amounts to 100 &#956;l and the reaction is run for 20 min at 37° C.The hydrolysis of [3H] cGMP/cGMP by rhPDE5A is terminated by adding SPA beads at 50 l/well (Perkin Elmer, RPNQ0024), pre-diluted in water as per manufacturer&#39;s instructions and supplemented with 3-isobutyl-1-methylxanthine (1 mM). Beads are allowed to sediment for at least 30 min before measurement in a Wallac Microbeta 2 (Perkin Elmer).
10241	1	Luminescence-Based ADPGlo Kinase Activity Assay	Example 53: The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 6 ul. Dose-response curves were generated by incubating 10 nM of each kinase in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 uM Na3VO4, 10 mM -Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 and 15 uM ATP for 60 min at 32° C. in the presence or absence of compound diluted in DMS. The amount of generated ADP is a measure of kinase activity and is quantified using the ADP-Glo Kinase Assay (Promega) according to manufacturer&#39;s instructions. ADP is converted to ATP by adding 3 ul of ADP-Glo Reagent and incubation at 32° C. for 60 min. ATP is subsequently converted into a bioluminescent signal by adding 6 ul luciferase assay reagents (Kinase detection buffer+Kinase Detection Substrate (Promega)) and further incubation at 32° C. for 60 min. For the measurement of luminescence a PHERAstar Multilabel Reader was used at a measurement interval time of 0.1 second (optical module for luminescence measurements in the 230 nm to 750 nm wavelength range). The luminescent signal positively correlates with kinase activity.
10241	2	In Vitro Enzyme Inhibition Using a Biochemical Peptide Phosphorylation Assay- Caliper Assay	Example 54:The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 10 nM of each kinase together with 2 uM of the fluorescently labeled substrate peptide 5-Fluo-Ahx-KKYQAEEN-T-YDEYENKK-amid (10 mM stock solution in DMSO) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 uM Na3VO4, 10 mM -Glycerolphosphate, 1 mM MgCl2, 12 mM MnCl2 (ALK1 and ALK6 7 mM) and 15 uM ATP for 60 min at 30° C. in the presence or absence of compound diluted in DMSO.Kinase reactions were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.
10242	1	Inhibition of Recombinant TrxR1	Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM TrxR1 was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compound (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 2 mM DTNB was added to each well and the change in O.D. at 412 nm was followed. Percent activity was determined using DMSO vehicle and no TrxR1 (blank) controls. 2 nM GR was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compounds (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 1 mM GSSG was added to each well and the change in O.D. at 340 nm was followed. Percent activity was determined using DMSO vehicle and no GR (blank) controls.
10243	1	Bioactivity Assay	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan MP: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
10244	1	PI3K-&#947; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10244	2	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K6 assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K6. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10245	1	HTRF Assay	Each 15 &#956;L HTRF reaction in a 384-well black Proxiplate (Perkin Elmer) contained either 1 nM (data in table 1b) or 10 nM (data in table 1a) Trx-6xHis-BCL6 (in house-produced, human BCL6 BTB domain covering amino-acid sequence 5-129), 300 nM BCOR-AF633 peptide (RSEIISTAPSSWWPGP-Cys-AlexaFluor 633-amide, Cambridge Research Biochemical) and 0.5 (data in table 1b) or 1 nM (data in table 1a) anti-6xHis-Terbium cryptate (CisBio Bioassays, France), in assay buffer (25 mM Hepes pH8, 100 mM NaCl, 0.05% Tween20, 0.5 mM TCEP, 0.05% bovine serum albumin). Test compounds in DMSO or DMSO alone were added to the wells using an ECHO550 acoustic dispenser (Labcyte Inc) to give the appropriate test concentration in 0.7% v/v DMSO final. After 2 hours incubation at room temperature the plate was read on an Envision plate reader (Perkin Elmer) with 337 nm laser excitation, a first emission filter APC 665 nm and a second emission filter Europium 615 nm. The % inhibition at each concentration was calculated by normalising FRET ratio to the appropriate high (DMSO with all reagents) and low (DMSO without BCL6) controls. The compound IC50S were determined using GraphPad Prism 6.0 or Dotmatics (Bishops Storford, UK) software by fitting the normalised data to a sigmoidal four-parameter logistic fit equation.
10246	1	LRRK2 Assay	LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incubated with a fluorescein-labeled peptide substrate based upon ezrin/radixin/moesin (ERM), also known as LRRKtide (Invitrogen cat #PR8976A), in the presence of a dose response of compound. Upon completion, the assay was stopped and detected with a terbium labeled anti-phospho-ERM antibody (Invitrogen, cat #PR8975A). The assay was carried out under the following protocol: The compound dose response was prepared by diluting compound to a top concentration of 0.3 mM in 100% DMSO and serial diluted by half-log in DMSO to give an 11 point curve, 100× final assay concentration. Using Echo acoustic dispensing, 60 nL of compound was transferred to a low volume Corning 384-well assay plate. 3 &#956;L of a working solution of substrate (200 nM LRRKtide, 2 mM ATP) prepared in assay buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, with 2 mM DTT and 0.01% Brij35 added fresh) was added to the 60 nL compound assay plate. The kinase reaction was started with 3 &#956;L of a working solution of LRRK2 enzyme at a concentration of 4 &#956;g/mL. The final reaction concentrations were 100 nM LRRKtide, 1 mM ATP, 2 &#956;g/mL LRRK2 enzyme and a compound dose response with a top dose of 3 &#956;M. The reaction was allowed to progress at room temperature for 30 minutes and then stopped with the addition of 6 &#956;L of detection buffer (20 mM Tris pH 7.6, 0.01% NP-40, 6 mM EDTA with 2 nM terbium labeled anti-phospho-ERM). After an incubation of 1 hour at room temperature, the plate was read on an Envision with an excitation wavelength of 340 nm and a reading emission at both 520 nm and 495 nm. The ratio of the 520 nm and 495 nm emission was used to analyze the data. Inhibition of mutant G2019S LRRK2 (Invitrogen cat #PV4881) was measured in the exact same method. All final concentrations of substrate ATP and enzyme were the same.
10247	1	HTS Assay	The HTS assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2) (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). The final concentration of the enzyme (USP1, construct USP1 (I-785, GG670, 671AA)/UAF1 (I-677)-Flag; Viva) in the assay was 100 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 10 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2×Ub-Rh110 or preincubated with USP1 40 minutes prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for 45 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
10248	1	Inhibition Assay	All currents were recorded in whole-cell configuration using EPC-9 and EPC-10 amplifiers and Patchmaster software (HEKA) or similar. Patch pipettes had a resistance of 1.5-3 M and up to 75% of the series resistance was compensated. The standard pipette solution consisted of 140 mM CsAsp, 10 mM EGTA, 10 mM HEPES, 2.27 mM, 20 MgCl2, 1.91 mM CaCl2, and up to 0.3 mM Na2GTP, with pH adjusted to 7.2 with CsOH. In addition, a solution containing 145 mM CsCl, 10 mM HEPES, 10 mM EGTA, and up to 0.3 mM Na2GTP and 1 mM MgCl2 (pH 7.2 adjusted with CsOH) can be used. The standard bath solution contained 150 mM NaCl, 10 mM HEPES, 10 mM glucose, 4.5 mM KCl, 1 mM EGTA, 3 mM MgCl2, with pH adjusted to 7.4 with NaOH. In some instances, 2 mM CaCl2 was added in place of EGTA and the concentration of MgCl2 was reduced to 1 mM.
10249	1	HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 &#956;L. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-Lite Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement. The % binding data versus the log of the inhibitor concentration was fitted to a one-site competitive binding model (GraphPad Prism version 7.02) where the ligand constant=12.5 nM and the ligand Kd=1.85 nM.
10250	1	Enzymatic Assay	Casein substrate (from bovine milk, hydrolyzed and partially dephosphorylated mixture of &#945;, &#946; and a caseins, obtained from Sigma Aldrich, catalogue #C4765, diluted in distilled water to a final concentration of 1 mg/mL) and full-length recombinant human NEK7 (expressed by baculovirus in Sf9 insect cells using a N-terminal GST tag, obtained from SignalChem, catalogue #N09-10G, 0.1 &#956;g/&#956;L) were mixed in assay buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). Compounds of interest (serial 3-fold dilution in DMSO from 10 &#956;M to 0.5 nM) or vehicle (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition of [33P]-ATP (specific activity 10 &#961;Ci/&#956;l) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle reactions. 
10251	1	LanthaScreen Assay	The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, Calif.) using GST-tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide, also from Life Technologies. The data presented for the Km ATP LanthaScreen Assay represents mean IC50 values based on several test results and may have reasonable deviations depending on the specific conditions and reagents used. Assays were performed in the presence of 134 &#956;M ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 M in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 &#956;l of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 &#956;l of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 &#956;M ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 &#956;l of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, Calif.) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, Calif.). After an incubation of 1 hour at room temperature, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, Mass.) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm. Compound IC50s were interpolated from nonlinear regression best fits of the log of the final compound concentration, plotted as a function of the 520/495-nm emission ratio using Activity base. Abase uses a 4 parameter (4P) logistic fit based on the Levenberg-Marquardt algorithm.
10252	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.). The Example compounds were each tested in the Example A assay (see Table 1 for data for the compounds of the examples as tested by the assay of Example A at 1 mM ATP).
10253	1	Binding Assay	A human STING [3H] 2&#8242;,3&#8242;-cGAMP scintillation proximity competition binding assay was utilized to detect binding of compounds to STING protein. The competition binding assay was conducted with either a wild-type (WT, SEQ ID NO: 1) or an AQ variant (SEQ ID NO: 2) of truncated human STING protein that lacks the N-terminal four transmembrane domains and contains amino acids 155-379. The protein encoding plasmid contained a HIS tag, followed by an Avi tag and then a SUMO tag, which were followed by the STING coding sequence within the pET-28a (+) vector. The plasmid was transfected into a BL21 (DE3)/BirA E. coli co-expression strain. Protein was purified from the bacterial lysate using a cobalt-affinity column. The purified protein was dialyzed against PBS and then 20% glycerol was added prior to storage at &#8722;80° C.The assay was conducted in a 384-well plate containing final concentration of 25 nM biotin-STING protein and 17.5 nM [3H] 2&#8242;,3&#8242;-cGAMP in assay buffer (50 mM Tris pH 7.5, 100 mM NaCl, 0.1% Fatty Acid Free BSA). Test compounds (2.5 &#956;L) were added to the plate first followed by a 25 &#956;L mixture of STING protein, streptavidin PVT SPA beads (Perkin Elmer) and 10 &#956;L [3H] 2&#8242;,3&#8242;-cGAMP. Plates were incubated at room temperature for 18 hrs and read on a Wallac MicroBeta TriLux (Perkin Elmer). 2&#8242;,2&#8242;-cGAMP was used as a reference compound and had an IC50 of 0.562 &#956;M using the WT STING protein and 0.098 M using the AQ STING protein.
10253	2	Binding Assay	The murine STING [3H] 2&#8242;,3&#8242;-cGAMP scintillation proximity competition binding assay was performed in the same manner as the human STING competition binding assay (described above) with the exception that murine STING protein (amino acids 154-378, SEQ ID NO: 3) was utilized. 2&#8242;,2&#8242;-cGAMP was used as a reference compound and had an IC50 of 0.055 &#956;M.
10254	1	Des1 Activity Assays	Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 &#956;L in each well. The cells were administered 100 &#956;L of cell culture media containing 50-&#956;M NBD-C6-dihydroceramide (Des1 substrate), affording a final concentration of substrate of 10 &#956;M. The cells were incubated with substrate at 4° C. for 30 minutes. Following the incubation at 4° C., the cell suspension was centrifuged at 1200 rpm for 3 minutes, and the cell pellet is resuspended in 400 &#956;L of fresh media containing various concentrations of either fenretinide (known Des1 inhibitor control compound) or test article. The final concentrations of control compound and test compounds were tested in a range from 0-10 &#956;M. The cells and compounds were incubated at 37° C. for 3 hours. Following the 3-hour incubation, the plate was centrifuged at 2500 g for 3 minutes at 4° C., followed by collection and transfer of 200 &#956;L of the supernatant to a new 96-well plate with 300 &#956;L of methanol an containing appropriate internal standards for liquid chromatography/tandem mass spectroscopy (LC/MS/MS) analysis (internal standard: 500 nM labetalol and 100 nM alprazolam). The samples were vortexed for 2 minutes followed by centrifugation at 3,220 g for 20 minutes. Following centrifugation, 200 &#956;L of the supernatant was transferred to a new 96-well plate for LC-MS/MS analysis to determine the amount of NBD-C6-ceramide (Des1 product) produced. The assay was typically performed in duplicate. A reduction of at least 30% compared to vehicle control (0 &#956;M test article) is indicative of an active compound, and a reduction of 75% compared to vehicle control is preferred.
10255	1	Enzyme-Linked Immunosorbent Assay	Plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the samples were diluted to 1:5 in dilution medium in the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was added with 2% SA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
10256	1	In Vitro Test of Inhibition of Human FP Receptor Activity	For the characterization of test substances in respect of FP antagonism, PGF2&#945;-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS093C) was used.3000 cells in 30 &#956;l of full medium [DMEM F12, 10% FCS, 1.35 mM sodium pyruvate, 20 mM HEPES, 4 mM GlutaMAX , 2% sodium bicarbonate, 1% Pen/Strep, 1% 100× non-essential amino acids] are sown per well of a 384 multititre plate (from Greiner, TC plate, black with clear base) and incubated at 33° C., 5% CO2 for 24 hours. Prior to the measurement, the medium is replaced by 30 &#956;l of Fluo-8 AM loading buffer [calcium-free Tyrode (130 mM NaCl, 5 mM KCl, 20 mM HEPES, 1 mM MgCl2, 4.8 mM NaHCO3, pH 7.4), 2 mM CaCl2, 6.3 mM Probenecid, 5 &#956;M Fluo-8 AM, 0.0112% Pluronic ] and incubated at 37° C., 5% CO2 for 30 minutes. The test substance is prepared in DMSO in various concentrations as a dose-response curve (starting concentration 10 mM, dilution factor 3.16) and prediluted 1:50 with calcium-free Tyrode, 2 mM CaCl2, 0.002% SmartBlock (from CANDOR Bioscience GmbH). 10 &#956;l of the prediluted substance solution are added to the Fluo-8-laden cells and incubated at 37° C., 5% CO2 for 10 minutes. The FP receptor is activated by adding 40 &#956;l of 2 nM (final concentration) PGF2&#945; in calcium-free Tyrode, 2 mM CaCl2, 0.002% SmartBlock, and the calcium flux is determined by measuring the fluorescence at ex. 470 nm/em. 525 nm in a fluorescence measuring instrument (FLIPR Tetra , Molecular Devices) for 120 seconds.
10257	1	Inhibition of auto-phosphorylation of recombinant human NF-kappaB-inducing kinase (NIK/MAP3K14) activity	NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreen (&#945;screen) format (Perkin Elmer). All compounds tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. Final DMSO concentration was 1% (v/v) in assays. Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.01% Tween 20. Assays were carried out in 384 well Alphaplates (Perkin Elmer). Incubations consisted of compound, 25 microM Adenosine-5&#8242;-triphosphate (ATP), and 0.2 nM NIK/MAP3K14. Incubations were initiated by addition of GST-tagged NIK/MAP3K14 enzyme, carried out for 1 h at 25° C. and terminated by addition of stop buffer containing anti-phospho-IKK Ser176/180 antibody. Protein A Acceptor and Glutathione-Donor beads were added before reading using an EnVision Multilabel Plate Reader (Perkin Elmer). Signal obtained in the wells containing blank samples was subtracted from all other wells and IC50&#39;s were determined by fitting a sigmoidal curve to % inhibition of control versus Log10 compound concentration.
10258	1	Radioligand Binding Assay	Competitive radioligand binding experiments were performed using MEMBRANE TARGET Systems (Perkin-Elmer, Boston, Mass.) for human somatostatin receptors: SSTR1 (ES-520-M400UA), SSTR2A (ES-521-M400UA), SSTR3 (ES523-M400UA), SSTR4 (ES-524-M400UA) and SSTR5 (ES-522-M400UA) receptors. (See Table 1). Respective membrane receptor preparations were prepared in assay buffer (25 mM HEPES, 10 mM MgCl2, 1 mM CaCl2, 0.5% BSA, pH=7.4) at a 1:150 dilution. Binding assays were performed using 1251-Tyr-SRIF 14 (Perkin-Elmer, NEX 3890) dissolved in 1 mM HCl. Binding assays were performed in triplicate for each concentration of ligand in a total volume of 200 &#956;L radioligand (25 &#956;L ligand, 25 &#956;L radioligand, 150 &#956;L receptors) and incubated at room temperature for 90 minutes using a shaking table. Binding was terminated by filtration through GF/B glass fiber filters that were presoaked in 0.5% polyethyleneimine for a minimum of 4 hours. Filters were washed 9× with 1000 &#956;L ice cold wash buffer (50 mM Tris-HCl, pH=7.4, 0.2% BSA). Filters were scored, transferred into plastic test tubes and counted in a gamma counter (Wizard2, Perkin-Elmer). Determination of the Ki for each compound was performed using non-linear regression with GraphPad PRISM-5 software (GraphPad Software, Inc., La Jolla, Calif.).
10258	2	Activity Assays	Measurement of forskolin stimulated inhibition of cAMP was performed via time-resolved fluorescence resonance energy transfer (TR-FRET) LANCE assay (AD0262, PerkinElmer Life Science, Inc., Boston Mass.). Recombinant Chinese hamster ovary (CHO-K1) cells expressing human somatostatin SSTR4 cells (ES-524-CF, PerkinElmer Life Science, Inc., Boston Mass.) were thawed (37° C.), resuspended in 10 mL Hanks&#39; balanced salt solution no phenol red (HBSS, Invitrogen, Carlsbad Calif.), and then centrifuged (150×g, 5 minutes). Cellular pellet resuspended in stimulation buffer containing HBSS 1×, HEPES 5 mM, Protease free BSA 0.1% (PerkinElmer), and 3-Isobutyl-1-methylxanthine 0.5 mM (pH 7.4) and seeded in 96-well plates at 4000 cells/well. LANCE cAMP assay was performed per manufacture instruction with assessment of respective compound, somatostatin-28 (Sigma-Aldrich Co., St. Louis, Mo.) as control agonist, against 5 &#956;M forskolin, performed in triplicate across concentration curve. Fluorescence signal was measured at 20 hours (excitation 340 nm and emission 665 nm, 400-&#956;s delay) via TR-FRET (FLUOSTAR Omega-F, BMG Labtech, Inc., Cary, N.C.). Data was calculated via GraphPad PRISM-5 software.
10259	1	Inhibition Assay	PathHunter CXCR2 &#946;-arrestin cells (DiscoverX) were grown under normal conditions and seeded on a white-walled 384-microwell plate at 20 &#956;L/well. Before testing, the cells were incubated at 37° C. for an appropriate time. The test compounds were serially diluted in DMSO at a three-fold dilution factor to obtain 8 serially diluted test compounds. Shortly before the test, the above serially diluted test compounds were further diluted with test buffer to 5 times the test concentration. 5 &#956;L of the further diluted test compounds was added to the cells and then the cells were incubated at 37° C. for 30 minutes. The vehicle concentration was 1%. 5 &#956;L of 6×EC80 agonist (CXCL8) buffer was added to the cells and then the cells were incubated at 37° C. for 90 minutes. 15 &#956;L (50% v/v) of PathHunter detection reagent mixture was added in one portion, followed by one-hour incubation to generate the test signal. The microplates were read on a PerkinElmer Envision instrument for chemiluminescence signal. The biological activity of the test compounds was analyzed by CBIS data analysis suite (ChemInnovation, CA) and shown as IC50 values.
10260	1	FGFR4 Enzymatic Experiments	The FGFR4 kinase inhibition of compounds was tested by using mobility shift assay in this experiment, and the rate of FGFR4 kinase inhibition of compounds or half inhibitory concentration IC50 thereof was obtained.
10261	1	ASK1 Enzymatic Test	In this test, the fluorescence-resonance energy transfer (TR-FRET) method was used to determine the inhibition effect of the test compounds on ASK1 kinase activity, and the half maximal inhibitory concentration IC50 of the compounds on ASK1 kinase activity was obtained.
10262	1	ASK1/2 Biochemical Assays (IMAP Technology)	IMAP technology provides a homogeneous assay applicable to a wide variety of kinases, phosphatases, and phosphodiesterases without regard for substrate peptide sequence. The assay is a simple mix-and-read procedure allowing accurate determination of enzyme activity. Based on the specific, high-affinity interaction of phospho groups with trivalent metal-containing nanoparticles (beads), IMAP is a generic, non-antibody-based platform to assess kinase, phosphatase, and phosphodiesterase activity. An enzyme reaction is performed using fluorescently labeled substrate. Addition of the IMAP Binding System stops the enzyme reaction and initiates binding of the beads to phosphorylated substrates. Binding of the substrate to the beads, which correlates to enzyme activity, can be detected using either FP or TR-FRET as a readout.
10262	2	ASK1/2 Biochemical Assays (AlphaScreen Technology) 	ASK1 and ASK2 biochemical activities were also quantified using AlphaScreen technology which measures the degree of phosphorylation of a protein substrate (MKK7). AlphaScreen technology is based on the binding of a substrate to two types of beads, acceptor and donor. Binding to one bead is through the tag of the substrate protein. Binding of the second bead is through phosphospecific binding of antibody to the phosphosite of the substrate. This forms a sandwich, with the acceptor and donor beads in close proximity. When the donor beads are excited by light in the 680 nm range, a singlet oxygen is released and causes emission of light from the acceptor in the 620 nm range which can be detected using a suitable plate reader.
10263	1	Jak1 Inhibition assay	The IC50s obtained by the method of Assay A at 1 mM ATP as described in the US Patent Publications.
10263	2	PI3Kdelta Inhibition Assay	The IC50s obtained by the method of Assay A at 1 mM ATP as described in the US Patent Publications.
10263	3	TAM Kinase Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl (see Axl autophosphorylation assay above), or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
10264	1	In Vitro Assays	Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Baker or Fisher Scientific). Determinations were made using purified human Factor XIa at a final concentration of 25-200 pM (Haematologic Technologies) and the synthetic substrate S-2366 (pyroGlu-Pro-Arg-pNA; CHROMOGENIX or AnaSpec) at a concentration of 0.0002-0.001 M.
10265	2	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12 mm PDL-coated glass coverslip and cultured in a 35 mm Petri dish. After 16 to 40 hr culture, the cover slip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, PH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 sec with a 20 ms prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 sec, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 &#956;m inner diameter), and the flow rate was controlled at 2-3 ml/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 min and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices) to generate IC50 values. 
10265	3	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M) and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. For experiment, a reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6 and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms.
10266	1	JAK/TYK2 Assay	10 mM test compound stock or 1 mM control compound stock (tofocitinib, ruxolitinib or staurosporine) in DMSO was diluted to 0.4 mM in DMSO. A 3-fold series dilution was then performed in DMSO to generate 10 different compound concentrations. The assay was carried out in 384-well white plate. 0.5 uL of 40× compound DMSO solution at different concentrations was mixed with 10 uL 2× enzyme prepared in reaction buffer (20 mM HEPES, 10 mM MgCl2, 0.01% Tween, 1 mM DTT, pH 7.5). 10 uL 2× substrate mixture prepared in reaction buffer was then added to start the reaction. A short spin was done to settle down all solutions to the bottom of the plate. Final concentrations of test compound in the reaction mixture were 10000, 3333, 1111, 370, 123, 41.2, 13.7, 4.57, 1.52and 0.51 nM. Concentrations of control compound were ten times less. Enzymatic reaction was conducted at 25° C. for 1-2 hours. 10 uL of Kinase Glo Reagents was added to stop the reaction and generate the luminescent signal which was measured using Envision. Luminescence signal was inversely related to kinase activity. Reaction mixture which did not contain enzyme served as negative control. The mixture without any compound was the positive control.
10267	1	KINOMEscan competition binding assay	This assay is described in https://www.discoverx.com/kinase-data-sheets/abl1-nonphosphorylated.
10267	2	Z&#39;-LITE biochemical assay	IC50 against Abelson kinase ABL1 was determined by Life Technologies corporation though the Z&#8242;-LITE biochemical assay.
10268	1	TRPA1 Assay	At the assay day cells were washed 3× with assay puffer, 20 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca6 kit (Cat.R8191 MolecularDevices) loading buffer in HBSS/HEPES was added to the cells and the plates were incubated with lid for 120 minutes at 37°/5% CO2. 10 &#956;L of compound or controls in HBSS/HEPES buffer/5% DMSO from the intermediate dilution plate were carefully added to the wells. Luminescence (indicating the calcium influx or release) was read on the FLIPRtetra device for 10 minutes to monitor the compound induced effects (e.g. agonism). Finally 10 &#956;L of the agonist AITC 50 &#956;M dissolved in HBSS/HEPES buffer/0.05% DMSO (final concentration 10 &#956;M) was added to the wells followed by an additional read on the FLIPRtetra device for 10 minutes. The area under the signal curve (AUC) after AITC addition was used for IC50/% inhibition calculations.
10269	1	Pharmacological Activity	Each assay plate contains wells with vehicle controls (1% DMSO) for the measurement of non-inhibited transfer reaction (=100% Ctl) and wells with 10 &#956;M ([Dap3]-Ghrelin) as controls for fully inhibited GOAT enzymeThe analysis of the data is performed by calculation of the percentage of acyl-ghrelin produced in the presence of test compound compared to the amount of acyl-ghrelin produced in the vehicle control samples. An inhibitor of the GOAT enzyme will give values between 100% CTL (no inhibition) and 0% CTL (complete inhibition).
10270	1	DNAPK Enzyme Potency Assay (DNA-PK Enz)	The inhibitory activity of compounds against DNAPK was determined by TR-FRET measuring a fluorescent labelled peptide substrate converting to a phosphorylated product. fluorescently tagged peptide substrate were purchased from Thermo Fisher Scientific. 12 point half-log compound concentration-response curves, with a top concentration of 100 &#956;M were generated from 10 mM stocks of compound solubilised in DMSO using an Echo 555 (Labcyte Inc., Sunnyvale, Calif.). All assays were preformed in white Greiner 1536 well low volume plates (Greiner Bio-One, UK), in a total reaction volume of 3 &#956;L and 1% (v/v) final DMSO concentration. Enzymes and substrates were added separately to the compound plates and incubated at room temperature. The kinase reaction was then quenched by the addition of 3 &#956;L of stop buffer. Stopped assay plates were read using a BMG Pherastar. IC50 values were calculated using a Genedata Screener software (Genedata, Inc., Basel, Switzerland).Full length human DNAPK protein was purified from HeLa cell extract by ion exchange. Initially DNAPK protein was incubated with compound for 30 minutes at room temperature in reaction buffer (50 mM Hepes pH 7.5, 0.01% Brij-35, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT, 2 &#956;g/ml Calf Thymus DNA). The reaction was then initiated by the addition of ATP and fluorescently tagged peptide substrate (Fluorescein-EPPLSQEAFADLWKK, Thermo Fisher Scientific). The kinase reaction (18 &#956;M ATP, 35 &#956;M DNAPK, 1.6 &#956;M peptide substrate) was quenched after 40 minutes by the addition of 3 &#956;L of stop buffer (20 mM Tris pH7.5, 0.02% sodium azide, 0.01% Nonidet-P40, 20 m EDTA, 4 nM Tb anti-phospho-p53 [Ser15] Antibody. The reaction was incubated for a further hour and the plates were read on a BMG Pherastar.Data was analysed and IC50 values were calculated using Genedata Screener software (Genedata, Inc., Basel, Switzerland). The pIC50 values were calculated as the negative logarithm of the molar concentration of compound required for 50% reduction in measured response.
10270	2	TTK Enzyme Assay	The inhibitory activity of compounds against TTK was determined in a LanthaScreen Eu Kinase Binding assay run by ThermoFisher Scientific as part of their SelectScreen Biochemical Kinase Profiling Service. The LanthaScreen Eu Kinase Binding assay format uses binding of an Alexa Fluor conjugate or tracer to a kinase, which is detected by addition of a Eu-labeled anti-tag antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. The degree of FRET measured in the assay is used to determine the binding of a compound.10 point three-fold dilution compound concentration-response curves, with a top concentration of 10 &#956;M were generated from 10 mM stocks of compound solubilised in DMSO. All assays were performed in white, low volume Greiner 384-well plates (cat. #784207, Greiner), in a total reaction volume of 16 &#956;L and 1% (v/v) final DMSO concentration. 3.84 &#956;L Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8 &#956;L 2× Kinase/Antibody mixture (final concentrations 5 nM TTK, 2 nM Eu-anti-GST, prepared in Kinase Buffer) and 4 &#956;L 4× AlexaFluor labeled Tracer Solution (final concentrations 30 nM Tracer 236, prepared in Kinase Buffer) were added separately to the compound plates, placed on a plate shaker for 30 sec, and then incubated for 60 mins at room temperature. Plates were then read using a fluorescence plate reader. IC50 values were calculated using XLfit software (IDBS Ltd, Surrey, UK), with the curve fit to model number 205 (sigmoidal dose-response model).
10270	3	Aurora-A, Aurora-B, JAK1, JAK2, JAK3 Enzyme Assays	The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z&#39;-LYTE assays run by ThermoFisher Scientific as part of their SelectScreen Biochemical Kinase Profiling Service. The Z&#39;-LYTE biochemical assay format employs a fluorescence-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. The peptide substrate is labeled with two fluorophores one at each end that make up a FRET pair. In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine, serine or threonine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognises and cleaves non-phosphorylated FRET-peptides. Phosphorylation of FRET-peptides suppresses cleavage by the Development Reagent. Cleavage disrupts FRET between the donor (i.e., coumarin) and acceptor (i.e., fluorescein) fluorophores on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET. A ratiometric method, which calculates the ratio (the Emission Ratio) of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, is used to quantitate reaction progress. Both cleaved and uncleaved FRET-peptides contribute to the fluorescence signals and therefore to the Emission Ratio. The extent of phosphorylation of the FRET-peptide can be calculated from the Emission Ratio. The Emission Ratio will remain low if the FRET-peptide is phosphorylated (i.e., no kinase inhibition) and will be high if the FRET-peptide is non-phosphorylated (i.e., kinase inhibition).10 point three-fold dilution compound concentration-response curves, with a top concentration of 10 &#956;M were generated from 10 mM stocks of compound solubilised in DMSO. All assays were performed in black, non-binding, low volume Corning 384-well plates (cat. #4514, Corning), in a total reaction volume of 10 &#956;L and 1% (v/v) final DMSO concentration. 2.4 &#956;L Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 5 &#956;L 2× Peptide/Kinase mixture (detailed below for each kinase) and 2.5 &#956;L 4×ATP Solution (prepared in Kinase Buffer) were added separately to the compound plates, placed on a plate shaker for 30 sec, and then incubated for 60 mins at room temperature. The kinase reaction was then quenched by the addition of 5 &#956;L of Development Reagent (ThermoFisher Scientific proprietary). Assay plates were placed on a plate shaker for 30 sec, incubated for 60 mins at room temperature, and then read using a fluorescence plate reader. IC50 values were calculated using XLfit software (IDBS Ltd, Surrey, UK), with the curve fit to model number 205 (sigmoidal dose-response model).
10271	1	Expression Inhibition Assay	The ATF4 reporter was prepared by fusing the human full length 5&#8242;UTR of ATF4 (NCBI Accession No. BC022088.2) upstream of the firefly luciferase coding sequence lacking the initiator methionine. The fused sequence was cloned into pLenti-EF1a-C-Myc-DDK-IRES-Puro cloning vector (Origen #PS100085) using standard methods. Virus production was carried out by using Lenti-X Packaging Single Shots Protocol (Clonetech #631276). Viral particles were used to transduce HEK293T cells (ATCC #CRL-3216, ATCC Manassas, Va.), which were subsequently selected with puromycin to generate stable cell line. Cells were maintained at 37° C. and 5% CO2 in DMEM-F12 (Hyclone #SH30023.02) supplemented with 10% heat-inactivated fetal bovine serum (Gibco #16000-044), 2 mM L-glutamine (Gibco #25030-081), 100 U/ml penicillin, and 100 &#956;g/ml streptomycin (Gibco #15140-122).
10272	1	FLIPR Assay	At the assay day cells were washed 3× with assay buffer (as described above), 10 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca kit loading buffer (AAT Bioquest; prepared from the kit containing the following components: Component A: Fluo-8 NW dissolved in 200 &#956;L DMSO and 20 &#956;l of this solution are mixed with 10 ml buffer prepared out of component B and C, Component B: 10× Pluronic F127 Plus diluted 1:10 in component C, Component C: HHBS (Hanks with 20 mM Hepes) was added to the cells and the plates were incubated with lid for 60 minutes at room temperature. 20 &#956;l assay buffer containing 60 &#956;M glycine (20 &#956;M final) and 3 &#956;M glutamate (1 &#956;M final) was added to column 1-23, column 24 got assay buffer without glycine/glutamate to serve as negative unstimulated control. Fluorescence (indicating the calcium influx as a result of the NR1/NR2B ion channel activation) was read on the FLIPRtetra device for 60 seconds to monitor the glutamate induced effects. 
10273	1	Inhibition Assay	Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM TrxR1 was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compound (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 2 mM DTNB was added to each well and the change in O.D. at 412 nm was followed. Percent activity was determined using DMSO vehicle and no TrxR1 (blank) controls. 2 nM GR was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compounds (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 1 mM GSSG was added to each well and the change in O.D. at 340 nm was followed. Percent activity was determined using DMSO vehicle and no GR (blank) controls.
10274	1	Binding Assay	His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CBP (4 nM final) was combined with biotin-ligand (60 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6×His antibody ( 6×His is disclosed as SEQ ID NO: 3) (Perkin Elmer ADO110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 50 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50 calculated using a four parameter non-linear curve fit.
10275	1	Bioactivity Assay	Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P: Int J Biochem. 10:317-9, 1979) with minor variations. The procedure was internally standardized using allopurinol and DPI as controls for all experiments after determination of their optimal inhibitory concentrations. Experiments on test compounds were performed in triplicate in multi-well plates using 10 concentrations of each compound that ranged over a 3-fold dilution.
10276	1	Drp1 Activity Screen	The GTPase activity of Drp1 was assayed using a colorimetric assay similar to as described previously by Leonard M. et al. Robust colorimetric assays for dynamin&#39;s basal and stimulated GTPase activities. Methods Enzymol. 2005, Vol. 404, pp. 490-503. Briefly, for GTPase assays of purified Drp1 inhibitor samples, 0.6 &#956;M Drp1 preincubated with 0.1 mg/mL liposomes (consisting of 80% soybean lipids/20% cardiolipin) and inhibitor was added to 1 mM GTP in a microtiter plate for 20 min at 37° C. in 4 mM MgCl2, 10 mM Hepes (pH 7.0), 100 mM KCl, 1 mM DTT. Reactions were stopped by diluting with 0.5 mM EDTA. Samples were then incubated with malachite green reagent (1 mM malachite green and 50 mM ammonium molybdate in 1 N HCl), and the absorbance at 650 nm was measured. The reaction rates, IC50 values, and max % inhibition were determined using Excel/GraphPad Prism software.
10277	1	LSD1 Activity	Human recombinant LSD1 protein expressed in E. coli cells was purchased from Active Motif (Carlsbad, Calif.). Biotin-labeled Histone H3K4Me peptide (residues 1-21 with Lys 4 monomethylated) substrate was purchased from Anaspec (Fremont, Calif.). Enzymatic activity was assessed using the AlphaLISA technology from Perkin Elmer Life Sciences (Waltham, Mass.). 2.5 &#956;L of compound solution and 5 &#956;L of LSD1 solutions in the assay buffer (50 mM Tris, pH 9.0, 50 mM NaCl with 0.01% Tween20 and 1 mM DTT added right before the assay) were added into a white low volume 384 well microtiter plate. This mixture solution was incubated for 15 minutes with gentle shaking at room temperature. Demethylation reaction was initiated by adding 2.5 &#956;L of Biotin-H3K4Me peptide substrate solution in the assay buffer. Final concentrations of LSD1, Biotin-H3K4Me peptide substrate, and DMSO were 4 nM, 80 nM, and 1%, respectively. The reaction was allowed to proceed for 60 minutes in dark with gentle shaking at room temperature, after which 5 &#956;L of Anti-H3K4 AlphaLISA acceptor beads in detection buffer from the manufacturer was added into the reaction mixture followed by incubation for 60 minutes. 10 &#956;L of Streptavidin labeled AlphaLISA donor beads in detection buffer was added into the mixture followed by 30-minute incubation. Final acceptor and donor beads concentrations were both at 10 &#956;g/mL. Plates were read on a BMG CLARIOStar multimode plate reader from BMG Labtech (Ortenberg, Germany) with an excitation wavelength of 680 nm and emission wavelength of 615 nm. IC50 values of inhibitors were obtained by fitting the fluorescence intensity vs inhibitor concentrations in a sigmoidal dose-response curve (variable slope) with a non-linear regression using Prism 7 (La Jolla, Calif.).
10278	1	Inhibitory Activity Assay	Plasma Kallikrein: The example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide substrate. In one assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 500 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at room temperature. After initiation with substrate, reactions were incubated for 10 min at room temperature and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader. In another assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 5 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at room temperature. After initiation with substrate, reactions were incubated for 18 hr at room temperature and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader.
10279	1	In Vitro Kinase Assay	In the kinase test, a compound to be tested was 1:3 diluted for 8 gradient points, added into a reaction plate, and then added an appropriate amount of recoinbinase. A buffer [50 mM HEPES pH17.5, 10 mM MgCl2, 3 mM MnCl2, 1 mM EGTA, 0.01% Tween-20, 1 mM TCEP] containing ATP/Ulight-4EBP1 premix with predetermined concentration was subsequently added, and the kinase reaction was started at room temperature. A test solution pre-mixed with 10 mM EDTA and detection antibody was added after a suitable reaction time, and then the fluorescence value was read on Tecan infinite pro after reacting for 1 hour at room temperature. The IC50 was calculated using a four-factor model fitting in a XLfit software.
10280	1	HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 &#956;L. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-Lite Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement. The % binding data versus the log of the inhibitor concentration was fitted to a one-site competitive binding model (GraphPad Prism version 7.02) where the ligand constant=12.5 nM and the ligand Kd=1.85 nM. 
10281	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE-TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TKOPEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TKOPEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve.
10282	1	TR-FRET Assay	All data was collected using a standard TR-FRET screening assay: LanthaScreen Tracer 199 at 50 nM, Eu-anti-His Antibody at 2 nM, 5 nM RIPK2 enzyme, and 1× Kinase Reaction Buffer. There was a 1 hour incubation prior to read. TR-FRET signal of the interaction (340Ex/665Em/615Em) was read at room temperature with standard setting. Background was subtracted of wells containing no enzyme. Percent inhibition was based on uninhibited controls log (inhibitor) vs. response. Variable slope equation was used with no constraints: Log Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*Hill Slope)).Analytical Instrumentation:NMR: Bruker UltraShield -300 or Bruker Ascend -400 spectrometers.LCMS: Shimadzu LCMS-2020 or Agilent technologies 1260 Infinity-6120 Quadrupole LC/MS.Purification:TLC plates: Thin-layer chromatography with E. Merck silica gel 60 F254 pre-coated plates (0.25 mm).Flash chromatography: Agela Technologies CHEETAH-MP200 CH16200 2T-A0099 or Biotage Isolera ISO-PSV ISPS 1832112.
10283	1	TR-FRET Assay	Table 1: Briefly, 20 &#956;L aliquots of a 1.5× stock of ASK1, STK Substrate 3 and Assay Buffer were distributed in the wells of a white 384 well Optiplate, prior to addition of 0.3 &#956;L of a 100× compound stock in DMSO, or DMSO alone in Blank and 100% Activity Controls. After a 10 minute pre-incubation, ASK1 protein kinase activity was initiated by addition of 10 &#956;L of 300 &#956;M ATP. After 5 hours, the kinase activity was quenched by addition of 30 &#956;L of CisBio Kit 62ST3PEJ components: 0.5 &#956;M of Streptavidin XL665; and 100×STK Antibody-Eu Cryptate; in Detection Buffer containing sufficient EDTA to chelate Mg2+ in the assay buffer. The plates were read after 65 minutes in an Envision Plate reader, with the following components and settings: Top Mirror, Lance Delfia Dual (662); UV Ex Filter, 320 nm (111); Emission Filter for donor, 615 nm (203); Emission Filter for Acceptor; 665 nM (205); and 100 usec delay, with 665/615 ratio output.
10283	2	TR-FRET Assay	Table 2: Alternatively, the protein kinase activity of the compounds described herein were tested using the ASK1/MAP3K5 assay by Reaction Biology Corp. The assay procedure can be found on Reaction Biology Corp.website at http://www.reactionbiology.com/webapps/site/KinasePDFs/ASK1_MAP3K5.pdf. ASK1/MAP3K5 was used as the protein kinase and 20 &#956;M of myelin basic protein (MBP) and 10 &#956;M ATP were used as the substrate.
10284	2	Inhibition of SOS1 Nucleotide Exchange Activity	The purpose of this assay was to characterize the inhibitory activity of compounds on SOS1 nucleotide exchange of KRAS. Data was reported as IC50 values based on the TR-FRET signal.Note the Following Protocol Describes a Procedure for Monitoring the Inhibition of SOS1 Nucleotide Exchange Activity of Wild-Type KRAS in Response to a Compound of the Invention. Other KRAS Mutants and RAS Isoforms May be Employed.In assay buffer containing 20 mM HEPES, pH 7.5, 150 mM NaCl, 5 mM MgCl2, 0.05% Tween-20, 0.1% BSA, 1 mM DTT, concentration series of test compounds were generated spanning 100 &#956;M to 1.7 nM over eleven 3-fold serial dilutions in a 384-well assay plate at a volume of 20 &#956;L. The purified tagless catalytic domain of SOS1 (residues 564-1049) was first diluted in assay buffer at a concentration of 100 nM, and then 20 &#956;L of the SOS1 containing solution was directly dispensed into compound plates. The SOS1/compound mixture was incubated at room temperature with constant mixing on an orbital shaker for 20 minutes to allow the reaction to reach equilibrium. A KRAS mixture was prepared by diluting 66.7 nM avi-tagged KRAS (residue 1-169), 3.33 nM Streptavidin-Tb and 333 nM EDA-GTP-DY-647P1 in assay buffer. This mixture was prepared immediately before addition to the SOS1/compound mixture to prevent intrinsic nucleotide exchange. Then 5 &#956;L of the pre-incubated SOS1/compound mixture and 7.5 &#956;L of the KRAS mixture were added sequentially in a 384-well low volume black round bottom plate and incubated at room temperature with constant shaking for 30 minutes. Time-resolved fluorescence was measured on a PerkinElmer Envision plate reader. DMSO and 10 &#956;M of compound (i) were used as negative and positive controls, respectively.
10284	1	Surface Plasmon Resonance (SPR) Assay	Using a GE Biacore 8K SPR instrument, avi-tagged SOS1 catalytic domain protein was immobilized to a level of approximately 6000 response units (RU) on a streptavidin-coated SPR sensor chip in assay buffer containing 0.01 M HEPES, 0.15 M NaCl and 0.05% v/v Surfactant P20. In assay buffer containing 2% DMSO, concentration series of test compounds were generated spanning 5 &#956;M to 4.9 nM over ten 2-fold dilutions. For each test compound, a separate 0 &#956;M sample was generated for use during subsequent double reference subtraction. Serially for each test compound, individual dilution samples were flowed over the immobilized SOS1 protein at a flow rate of 50 &#956;L/minute to monitor the association with SOS1. Dissociation of bound test compound from the SOS1 protein was immediately monitored by flowing assay buffer over the sensor surface and monitoring the decrease in binding signal back to the baseline level seen in the absence of compound. This was repeated for all compound dilutions in each series. 
10285	1	Matriptase Inhibition	Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 &#956;g/mL BSA at pH 7.4. To determine which method to use for the evaluation of inhibition, 0.25 nM protease was added to a reaction buffer containing 0 nM, 2.5 nM or 1 mM of inhibitors and 200 &#956;M of a fluorogenic substrate (Boc-Gln-Ala-Arg-AMC). Proteolytic activity was monitored by measuring the release of fluorescence (excitation; 360 nm, emission; 441 nm) in a FLX800 TBE microplate reader (Bio-Tek Instruments, Winooski, Vt., USA).
10285	2	Cellular Assay-Influenza Virus Replication PR8 and X31 in Calu-3 Human Bronchial Epithelial Cells	The ability of the tested compound to block influenza virus replication (PR8 and X31) in Calu-3 human bronchial epithelial cells was evaluated as described by Beaulieu A. et al. J Virol. 2013 April; 87(8):4237-51.Calu-3 cells were washed with Dulbecco&#39;s phosphate-buffered saline (D-PBS) and exposed to influenza virus (diluted in incomplete medium; 0.2% bovine serum albumin [BSA] instead of FBS). After virus adsorption (1 h at 37° C.), cells were washed once with D-PBS, and cells were incubated in incomplete culture medium containing increasing concentrations of the tested compound for 48 h.Viral titers were determined in the supernatants of infected cells by viral plaque assays as described by Cloutier et al. J Infect Dis. 2012 Feb. 15; 205(4):621-30. Serial 10-fold dilutions of clarified supernatants were prepared in incomplete Eagle&#39;s minimal essential medium (EMEM) (containing 0.1% bovine serum albumin instead of fetal bovine serum) and were titered on Madin-Darby canine kidney (MDCK) cells according to standard viral plaque assays. Confluent MDCK cells were exposed to lung supernatant dilutions for 1 hour to allow virus adsorption. Cells were then washed, and a semifluid medium containing Avicel RC-581 (FMC BioPolymer), incomplete EMEM, and 1 &#956;g/mL Tosyl phenylalanyl chloromethyl ketone (TPCK)-treated trypsin (Sigma-Aldrich) was added to the cells. Cells were incubated for 48 hours, and viral plaques were revealed with 2% crystal violet after Carnoy fixation.
10286	1	SARS-CoV-2 3CLPpro inhibition assay	For the SARS-CoV-2 3CLpro assay, 2&#8201;&#956;L of 0.02&#8201;&#956;M recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each compound in 4 &#956;L assay buffer containing 40mM HEPES, pH = 8.0, 1mM CHAPS, 150mM NaCl, 1mM EDTA, 1mM TCEP in a well of a 384-well plate and pre-incubated at rt for 1&#8201;hr. The custom-synthesized fluorogenic 3CLpro peptide substrate used in the assay is as follows: FAM-KTSAVLQSGFRKMEK-TAMRA (peptide sequence according to SEQ ID NO: 3). This FRET -based substrate contains a FAM fluorophore attached at the N-terminus of a canonical 3CLpro peptide substrate. The fluorophore is internally quenched by the TAMRA. The reaction was initiated by the addition of 10 &#956;L of the substrate with a final concentration of 15 &#956;M and each well was incubated at RT for 30 mins. The final concentration of the protease used at the assay was 25 nM and each compound was at a final concentration range of 100 0.0016&#8201;&#956;M. The IC50 value which is the value causing 50% inhibition of the catalytic activity of the SARS-CoV 3CLpro was calculated by four parameters equation analysis.
10286	2	HCoV-229E 3CLpro inhibition assay	For the HCoV-229E 3CLpro assay, 2&#8201;&#956;L of 0.02&#8201;&#956;M recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each compound in 4 &#956;L assay buffer containing 40mM HEPES, pH = 8.0, 1mM CHAPS, 150mM NaCl, 1mM EDTA, 1mM TCEP in a well of a 384-well plate and pre-incubated at rt for 1&#8201;hr. The custom-synthesized fluorogenic 3CLpro peptide substrate used in the assay is as follows: FAM-KTSAVLQSGFRKMEK-TAMRA (peptide sequence according to SEQ ID NO: 3). This FRET -based substrate contains a FAM fluorophore attached at the N-terminus of a canonical 3CLpro peptide substrate. The fluorophore is internally quenched by the TAMRA. The reaction was initiated by the addition of 10 &#956;L of the substrate with a final concentration of 15 &#956;M and each well was incubated at RT for 30 mins. The final concentration of the protease used at the assay was 25 nM and each compound was at a final concentration range of 100 0.0016&#8201;&#956;M. The IC50 value which is the value causing 50% inhibition of the catalytic activity of the HCoV-229E 3CLpro was calculated by four parameters equation analysis.
10286	3	MERS-CoV 3CLp ro inhibition assay	For the MERS-CoV 3CLpro assay, 2&#8201;&#956;L of 0.02&#8201;&#956;M recombinant MERS-CoV 3CL protease were mixed with serial dilutions of each compound in 4 &#956;L assay buffer containing 40mM HEPES, pH = 8.0, 1mM CHAPS, 150mM NaCl, 1mM EDTA, 1mM TCEP in a well of a 384-well plate and pre-incubated at rt for 1&#8201;hr. The custom-synthesized fluorogenic 3CLpro peptide substrate used in the assay is as follows: FAM-KTSAVLQSGFRKMEK-TAMRA (peptide sequence according to SEQ ID NO: 3). This FRET -based substrate contains a FAM fluorophore attached at the N-terminus of a canonical 3CLpro peptide substrate. The fluorophore is internally quenched by the TAMRA. The reaction was initiated by the addition of 10 &#956;L of the substrate with a final concentration of 15 &#956;M and each well was incubated at RT for 30 mins. The final concentration of the protease used at the assay was 25 nM and each compound was at a final concentration range of 100 0.0016&#8201;&#956;M. The IC50 value which is the value causing 50% inhibition of the catalytic activity of the MERS-CoV 3CLpro was calculated by four parameters equation analysis.
10286	4	HCoV-OC43 3CLpro inhibition assay	 For the HCoV-OC433CLpro assay, 2&#8201;&#956;L of 0.02&#8201;&#956;M recombinant HCoV-OC433CL protease were mixed with serial dilutions of each compound in 4 &#956;L assay buffer containing 40mM HEPES, pH = 8.0, 1mM CHAPS, 150mM NaCl, 1mM EDTA, 1mM TCEP in a well of a 384-well plate and pre-incubated at rt for 1&#8201;hr. The custom-synthesized fluorogenic 3CLpro peptide substrate used in the assay is as follows: FAM-KTSAVLQSGFRKMEK-TAMRA (peptide sequence according to SEQ ID NO: 3). This FRET -based substrate contains a FAMfluorophore attached at the N terminus of a canonical 3CLpro peptide substrate. The fluorophore is internally quenched by the TAMRA. The reaction was initiated by the addition of 10 &#956;L of the substrate with a final concentration of 15 &#956;M and each well was incubated at RT for 30 mins. The final concentration of the protease used at the assay was 25 nM and each compound was at a final concentration range of 100 0.0016&#8201;&#956;M. The IC50 value which is the value causing 50% inhibition of the catalytic activity of the HCoV-OC433CLpro was calculated by four parameters equation analysis.
10286	5	SARS-CoV 3CLp ro inhibition assay	For the SARS-CoV 3CLpro assay, 2&#8201;&#956;L of 0.02&#8201;&#956;M recombinant SARS-CoV 3CL protease were mixed with serial dilutions of each compound in 4 &#956;L assay buffer containing 40mM HEPES, pH = 8.0, 1mM CHAPS, 150mM NaCl, 1mM EDTA, 1mM TCEP in a well of a 384-well plate and pre-incubated at rt for 1&#8201;hr. The custom-synthesized fluorogenic 3CLpro peptide substrate used in the assay is as follows: FAM-KTSAVLQSGFRKMEK-TAMRA (peptide sequence according to SEQ ID NO: 3). This FRET -based substrate contains a FAM fluorophore attached at the N-terminus of a canonical 3CLpro peptide substrate. The fluorophore is internally quenched by the TAMRA. The reaction was initiated by the addition of 10 &#956;L of the substrate with a final concentration of 15 &#956;M and each well was incubated at RT for 30 mins. The final concentration of the protease used at the assay was 25 nM and each compound was at a final concentration range of 100 0.0016&#8201;&#956;M. The IC50 value which is the value causing 50% inhibition of the catalytic activity of the SARS-CoV 3CLpro was calculated by four parameters equation analysis.
10287	1	TMPRSS2 pericellular activity screening assay	Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Lipofectamine 3000 (ThermoFisher) in 12-well plates. For the mouse TMPRSS2 assay, empty vector (pCMV6-Entry, Origene #PS100001) and TMPRSS2-Myc-DDK (Origene: #MR207852) were used. After 24 hr transfection, cells were washed with PBS and media replaced with HCell-100 media (Wisent) containing 200 uM Boc-QAR-AMC (Rd Systems) and either vehicle (0.01% DMSO) or compounds at the indicated concentration for 24 hr. To measure proteolytic activity, 90 uL of cell media was transferred to a black 96-well plate, and fluorescence was measured at room temperature (excitation: 360 nm, emission: 460 nm) using an FLx800 TBE microplate reader (Bio-Tek Instruments). Background subtracted (mock-transfected cells) proteolytic activities are presented as percentage of activity relative to vehicle-treated cells (screen at 10 nM). IC50 values were determined after generating a nonlinear regression analysis from a log([Compound]) vs. a proteolytic activity plot using GraphPad Prism software (version 9.0.1). GraphPad Prism was used to identify and eliminate outliers (Q = 1) and assess the goodness of the fits. IC50 values presented are the mean +- standard deviation (SD) of at least three independent experiments.
10287	2	Median half-maximal effective concentration (EC50) curves	Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with serially diluted compounds (0.064, 0.32, 1.6, 8, 40, 200, and 1000 nM), followed by SARS-CoV-2 infection for 48 hr. Viral infection was detected by staining for dsRNA or nucleocapsid signal and quantified as described above. EC50 experiments were repeated at least three times for each compound with three technical replicates in each experiment. Intracellular nucleocapsid levels were interpolated to negative control (0.1% DMSO, no infection) = 0 and positive control (0.1% DMSO, with infection) = 100. The GraphPad Prism 9 (GraphPad Software, Inc.) nonlinear regression fit modeling variable slope was used to generate a dose-response curve [Y = Bottom + (Top-Bottom)/ (1+10^((LogIC50-X)*HillSlope)], constrained to top = 100, bottom = 0.
10288	1	Binding Assay	CLC-2 activity using cell-free assays, e.g., binding assays; with purified enzymes.
10289	1	Binding Assay	ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.
10290	1	Radioligand Assay	Membranes were removed from &#8722;80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protease inhibitor)
10291	1	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
10291	2	Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
10292	1	Enzyme Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.
10293	1	Biochemical Assay	The ability of compounds to inhibit CDK7 kinase activity was tested in a TR-FRET assay using 5 nM of CDK7/CycH/MNAT1 obtained from Invitrogen, USA. Test compounds were pre-incubated with the kinase at room temperature for 60 min. After the incubation, substrate mix [100 nM Ultra-light MBP (Perkin Elmer, USA) and 1 mM ATP (Sigma)] was added. The above reaction was stopped by the addition of 40 mM EDTA after 60 minutes of kinase reaction. 1 nM Eu-labelled antiphospho-MBP antibody [Perkin Elmer, USA] was added, mixed well and the fluorescence emission at 615 nm and 665 nm [excitation at 340 nm] was measured. The final DMSO concentration in the assay was 1%. For IC50 determination, appropriate concentrations were made by &#8531;rd serial dilutions of 10 mM DMSO stock solution of test compound. All the fluorescence measurements were made in a Victor 3 Multilabel Counter [Perkin Elmer, USA]. The IC50 was determined by fitting the dose response data to sigmoidal curve fitting equation using GraphPad Prism software V5. To identify compounds that inhibit CDK7 irreversibly, time depended inhibition studies were carried by pre-incubating compound with the enzyme at three time points (20, 60 and 180 min) and carrying out assay as described above.
10294	1	Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
10294	2	Kinase Assay	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3D kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
10295	1	Biochemical EGFR Inhibition Assays (100 mM ATP)	5 &#956;L of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23, than 5 &#956;L of ATP and ULight-poly-GT substrate (PerkinElmer; TRF0100-M) mix in assay buffer is added to all wells (final assay concentration of the ULight-poly-GT substrate 200 nM). Each of the different EGFR enzyme form assays is available at high ATP levels (final assay concentration 100 &#956;M). After 90 minutes incubation at room temperature 5 &#956;L EDTA (final assay concentration 50 mM) and LANCE Eu-anti-P-Tyr (PT66) antibody (PerkinElmer, AD0069) (final assay concentration 6 nM) mix are added to stop the reaction and start the binding of the antibody. After additional 60 minutes incubation at room temperature the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the TR-FRET LANCE Ultra specs of PerkinElmer (used wavelengths: excitation 320 nm, emission 1 665 nm, emission 2 615 nm). Each plate contains 16 wells of a negative control (diluted DMSO instead of test compound; w EGFR enzyme form; column 23) and 16 wells of a positive control (diluted DMSO instead of test compound; w/o EGFR enzyme form; column 24). Negative and positive control values are used for normalization and IC50 values are calculated and analysed using a 4 parametric logistic model.
10295	2	Biochemical EGFR Inhibition Assays (5 mM ATP)	5 &#956;L of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23, than 5 &#956;L of ATP and ULight-poly-GT substrate (PerkinElmer; TRF0100-M) mix in assay buffer is added to all wells (final assay concentration of the ULight-poly-GT substrate 200 nM). Each of the different EGFR enzyme form assays is available at low ATP (final assay concentration 5 &#956;M). After 90 minutes incubation at room temperature 5 &#956;L EDTA (final assay concentration 50 mM) and LANCE Eu-anti-P-Tyr (PT66) antibody (PerkinElmer, AD0069) (final assay concentration 6 nM) mix are added to stop the reaction and start the binding of the antibody. After additional 60 minutes incubation at room temperature the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the TR-FRET LANCE Ultra specs of PerkinElmer (used wavelengths: excitation 320 nm, emission 1 665 nm, emission 2 615 nm). Each plate contains 16 wells of a negative control (diluted DMSO instead of test compound; w EGFR enzyme form; column 23) and 16 wells of a positive control (diluted DMSO instead of test compound; w/o EGFR enzyme form; column 24). Negative and positive control values are used for normalization and IC50 values are calculated and analysed using a 4 parametric logistic model.
10296	1	LRRK2 Km ATP LanthaScreen Assay	 Assays were performed in the presence of 134 &#956;M ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 &#956;M in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 &#956;l of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate) Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 &#956;l of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 &#956;M ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 &#956;l of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, Calif.) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, Calif.).
10297	1	Surface Plasmon Resonance (SPR) Assay	Exemplary compounds of the application were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at &#8722;20° C. for repeat studies and other experiments. Full length WDR5 with an N-terminal His tag and C-terminal AviTag (Avidity Inc.) was expressed in E. coli with coexpression of BirA to biotin label the protein in vivo. Purification was via Ni-NTA. The purified WDR5 protein has a molecular weight of 41976 Da.SPR studies were performed using a Biacore T200 instrument (GE Health Sciences Inc.). Biotinylated WDR5 protein (approximately 3000RU) was stably captured to streptavidin coupled SA chips according to the manufacture&#39;s protocol (GE Health Sciences Inc.). The running buffer used was HBS-EP (20 mM Hepes pH 7.4, 150 mM NaCl, 3 mM EDTA, 0.05% P-20) plus 5% DMSO with a flow rate of 40p1/min. For SPR analysis, 5 different concentrations of each exemplary compound of the application were sprayed into 96 or 384 well plates using an HP D300 digital dispenser. The concentration ranged from about 195 nM to about 12 nM in a two-fold series. Concentration ranges were adjusted higher or lower for weaker or more potent compounds, respectively, when necessary. For the KD determinations, single cycle kinetic analysis was performed with an on time of 60 seconds, and an off time of 300 or 600 seconds. Curve fitting and KD calculations were performed with the Biacore T200 Evaluation software (GE Health Sciences Inc).
10297	2	MLL1-WRAD2 Enzyme Assay	Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (aa 3745-3969, GenBank Accession No. NM_005933), WDR5 (aa 22-334, GenBank Accession No. NM 017588), RbBP5 (aa 1-538, GenBank Accession No. NM_005057), Ash2L (aa 2-534, GenBank Accession No. NM_001105214), and DPY-30 (aa 1-99, GenBank Accession No. NM_0325742), all with N-terminal His tag, were expressed in E. coli and mixed at a molar ratio of 1:1:1:1:2. 10 nM of the assembled MLL1-WRAD2 complex was mixed with 100 nM WRAD2 to enhance complex formation before incubation with 0.05 mg/ml nucleosome substrate and compounds (as 10 point duplicate dose response titrations) for 15 min in a buffer consisting of 50 mM Tris (pH 8.5), 5 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.01% Brij-35, and 1% DMSO. Reaction was initiated with 1 &#956;M 3H-SAM and incubated for 1 hour at 30° C. Reaction mixture was transferred to P81 filter-paper and washed with PBS before detection.
10298	1	In Vitro Kinase Inhibition Assay	CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were performed in kinase buffer (#PV6135, Invitrogen, Life Technologies Grand Island, N.Y.) where total reaction volume was 30 &#956;L/well in 96-well half area white plates (#3693, Costar). One microliter of 25× test compounds at specific concentrations (e.g., final concentration range: 0.1 nM-200 nM) were mixed with 10 &#956;L of 2.5× kinase (5 nM, CDK4 #PR8064A and CDK6 #PR8422B, Invitrogen) solution and 14 &#956;L of 4× mixed solution with retinoblastoma (1 &#956;M, #12-439, EMD Millipore, Haywood, Calif.) and ATP (25 &#956;M, #V7038, Promega, Madison, Wis.). The plates were covered and incubated for 2 h at room temperature. At the end of incubation, 25 &#956;L of stop solution-ADP Glo reagent (#V7002, Promega) was added. After incubation for 45 min at room temperature, 50 &#956;L of detection reagent (##V7002, Promega) was added. Readings were taken at 15 min and 45 min incubation after detection reagent was added in a Synergy Neo Plate reader (BioTek, Winooski) at single excitation of 340 nm and Dual emission at 495 nm and 520 nm respectively. 
10298	2	LanthaScreen Eu Kinase Binding Assay	FMS: IC50 values of compounds against FMS kinase were determined by LanthaScreen&#153; Eu Kinase Binding Assay at Invitrogen (Life Technologies Grand Island, N.Y.) where total reaction volume was 10 &#956;L in low-volume 384-well plates (#4511, Corning). Serially diluted compounds (3-fold) were incubated with kinase (1.25 nM) for 10 min, following which a mixture of ATP (10 &#956;M) (#A1852, Sigma, St-Louis, Mo.) and fluorescent-PolyGT substrate (200 nM) (#PV3610, Invitrogen, Life Technologies Grand Island, N.Y.) was added and incubated in dark at room temperature for 1 h. After 1 h, 10 &#956;L stop solution containing Terbium labeled antibody (4 nM) (#PV3529, Invitrogen, Life Technologies Grand Island, N.Y.) and EDTA (#E5134, Sigma, St-Louis, Mo.) (20 mM) in TR-FRET dilution buffer (#PV3574, Invitrogen, Life Technologies Grand Island, N.Y.) was added. Readings were taken in a Synergy Neo Plate reader (BioTek, Winooski) at single excitation of 340 nm and Dual emission at 495 nm and 520 nm respectively.
10298	3	Activity Assay	PI3K&#948;: Briefly, this assay was conducted in buffer (Tris-HCl 40 mM (pH7.5), Orthovanadate 3 mM, MgCl2 20 mM, DTT 2 mM, CHAPS 0.05%, DMSO 1%). PI3K&#948; kinase was added to the reaction solution and mixed gently. The test compounds in 100% DMSO (at specific solutions) were mixed with the kinase reaction mixture to achieve the final compounds at pre-defined concentrations (e.g., range&#151;0.5 nM to 100 &#956;M) by Acoustic technology (Echo550; nanoliter range). After incubating for 10 min at room temp, ATP was added into the reaction mixture to initiate the reaction followed by a 30-min incubation at 30° C. After quenching the reaction with ADP-Glo reagent, the plates were incubated for 40 min. The Detection Mixture was added, and the plate was incubated for an additional 30 min. At the end of incubation, luminescence was measured. For data analysis, the luminescence was converted into &#956;M ADP production based on ADP standard curves. 
10298	4	In Vitro Kinase Inhibition Assay	CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z&#8242;-LYTE&#153;. These screening assays were performed at Invitrogen Life Technologies (Grand Island, N.Y.) on a low volume NBS, black 384-well plate (#4514, Corning). 0.1 &#956;L of 100× test compound in 100% DMSO (at specific solutions) were mixed with 2.4 &#956;L of Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 5 &#956;L of 2× Kinase (3.5-46.4 ng CDK1/cyclin B)/Peptide (2 &#956;M Ser/Thr 18), and 2.5 &#956;L of 4×ATP solution (34 &#956;M). The plates were shaken for 30 seconds, and incubated for 60 minutes at room temperature. Development Reagent Solution (5 &#956;L of 1:1024 dilution) was added to the plates followed with another 30-second plate shake, and the plates were further incubated at room temperature for one hour. The plates were read on fluorescence plate reader with Dual emission at 445 nm and 520 nm.
10298	7	Z&#8242;-LYTE Assay	CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z&#8242;-LYTE&#153;. These screening assays were performed at Invitrogen Life Technologies (Grand Island, N.Y.) on a low volume NBS, black 384-well plate (#4514, Corning). 0.1 &#956;L of 100× test compound in 100% DMSO (at specific solutions) were mixed with 2.4 &#956;L of Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 5 &#956;L of 2× Kinase (0.18-2 ng CDK5/p25)/Peptide (2 &#956;M Ser/Thr 12), and 2.5 &#956;L of 4×ATP solution (17 &#956;M). The plates were shaken for 30 seconds, and incubated for 60 minutes at room temperature. Development Reagent Solution (5 &#956;L of 1:4096 dilution) was added to the plates followed with another 30-second plate shake and the plates were further incubated at room temperature for one hour. The plates were read on fluorescence plate reader with Dual emission at 445 nm and 520 nm.
10298	6	LanthaScreen LanthaScreen	CDK2 (cyclin E1): IC50 values of compounds against CDK2 (cyclin E1) were determined by LanthaScreen&#153; Eu Kinase Binding Assay at Invitrogen Life Technologies (Grand Island, N.Y.)) where total reaction volume was 16 &#956;L/well in low volume, white 384-well plate (#784207, Greiner). 0.16 &#956;L of 100× test compound in 100% DMSO (at specific solutions) were mixed with 3.84 &#956;L of Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8.0 &#956;L of 2× Kinase (2.5 nM)/Antibody (Eu-anti-GST, 2 nM) Mixture and 4.0 &#956;L of 4× Tracer (Tracer 236, 100 nM). The plates were shaken for 30 seconds, and incubated for 60 minutes at room temperature. The plates were read on fluorescence plate reader with Dual emission at 615 nm and 665 nm.
10298	8	Adapta Assay	CDK7 (cyclin H): IC50 values of compounds against CDK7 (cyclin H) were determined by Adapta&#153; Assay at Invitrogen Life Technologies (Grand Island, N.Y.) where total reaction volume was 10 &#956;L/well in low volume, white 384-well plate (#4512, Corning). 0.100 &#956;L of 100× test compound in 100% DMSO (at specific solutions) were mixed with 2.4 &#956;L of HEPES (30 mM), 2.5 &#956;L of 4×ATP solution (153 &#956;M) and 5 &#956;L of 2× Substrate/Kinase mixture (the 2×CDK7/cyclin H/MNAT1/CDK7/9tide mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). The final 10 &#956;L Kinase Reaction consisted of 5-38.75 ng CDK7/cyclin H/MNAT1 and 200 &#956;M CDK7/9tide in 32.5 mM HEPES pH 7.5, 0.005% BRIJ-35, 5 mM MgCl2, 0.5 mM EGTA. The plates were shaken for 30 seconds, centrifuged for 1 min at 1000×g, and incubated for 60 minutes at room temperature. 5 &#956;L of Detection Mix (prepared in TR-FRET Dilution Buffer; the Detection mix consists of EDTA (30 mM), Eu-anti-ADP antibody (6 nM) and ADP tracer, and contains the EC60 concentration of tracer for 5-150 &#956;M ATP) was added to the plates followed with another 30-second plate shake and centrifugation for 1 min at 1000×g, and the plates were further incubated at room temperature for one hour. The plates were read on fluorescence plate reader with Dual emission at 615 nm and 665 nm.
10298	9	LanthaScreen Eu Kinase Binding Assay	CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen&#153; Eu Kinase Binding Assay at Invitrogen Life Technologies (Grand Island, N.Y.) where total reaction volume was 16 &#956;L/well in low volume, white 384-well plate (#784207, Greiner). 0.16 &#956;L of 100× test compound in 100% DMSO (at specific solutions) were mixed with 3.84 &#956;L of Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8.0 &#956;L of 2× Kinase (5 nM)/Antibody (Eu-anti-His, 2 nM) Mixture and 4.0 &#956;L of 4× Tracer (Tracer 236, 100 nM). The plates were shaken for 30 seconds, and incubated for 60 minutes at room temperature. The plates were read on fluorescence plate reader with Dual emission at 615 nm and 665 nm.
10299	1	Lantha Screening Kinase Reaction Assay	The compound was predissolved in 100% DMSO.10 mM drug stock solution was obtained by dissolution at room temperature and then gradiently diluted with 8 vol % DMSO solution to a final concentration of 10-0.005 &#956;M. 2.5 &#956;l of a solution of substance to be tested and 2.5 &#956;l of kinase (Invitrogen PV3363) diluted with the reaction buffer were added into each well of 384-well plate (Corning 3676), and then the mixture of Fluososcei-PolyGT (Invitrogen PV3610) substrate and ATP (Invitrogen PV3227) diluted with 5 &#956;l of the reaction buffer were added to initiate the reaction. Among the wells, the kinase in the blank well was replaced with a reaction buffer and the kinase well (Enzyme) was not added with any drug. After reacting on a shaker at 25° C. for 60 minutes in the dark, 10 &#956;l of Detection Solution (mixture of Invitrogen PV3528 and EDTA, which was diluted with TR-FRET dilution buffer, the working concentration of EDTA was 5 mM, the working concentration of Lanthascreening Tb PY20 antibody was 0.2 nM) was added and shaken at room temperature for 30 minutes. The plates were read on a VictorX5 fluorescent plate reader (PerkinElmer) and the light absorption at an excitation wavelength of 340 nm and emission wavelengths of 500 nm and 520 nm was measured.
10299	2	EGFR Kinase Inhibition Assay	The inhibitory activity of compounds to be tested on wild-type EGFR kinase (Invitrogen, PV3872) was measured by z-lyte methods.The working concentration of each component in 10 &#956;l of wild-type EGFR kinase reaction system was as follows: 10M ATP, 0.8 ng/&#956;l wild-type EGFR kinase (Invitrogen, PV3872), and 2 &#956;M Tyr04 substrate (Invitrogen, PV3193). After the compounds to be tested were added, the final concentration of DMSO was 2%.10 mM drug stock solutions dissolved at room temperature were gradiently diluted with 4% DMSO in water to a final concentration of 10-0.005 &#956;M. To each well were added 2.5 &#956;l of a solution of the compounds to be tested and 5 &#956;l of a mixture of wild-type EGFR kinase and Tyr04 substrate diluted by a reaction buffer, and then 2.5 &#956;l of ATP was added to initiate the reaction. Reaction buffer instead of ATP were added to C1 wells, no drugs were added to C2 wells, and the phosphorylated substrates were added to C3 wells according to the instruction. After reacting on a shaker at 25° C. for 60 minutes in the dark, 5 &#956;l of Development Reagent B (Invitrogen, diluted with TR-FRET dilution buffer) was added, and reacted on a shaker at room temperature for 60 min. The plate was read in a VictorX5 fluorescent microplate reader (PerkinElmer) and the light absorbance at an excitation wavelength of 405 nm and emission wavelengths of 450 nm and 520 nm was measured (For example, C3520 nm represents the reading of C3 well at 520 nm).
10300	1	Fluorescent Polarization Binding (FP Binding) Assay	Test compounds were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final). In each well of a 384-well Plate were dispensed 0.1 &#956;L of compound solution (or DMSO for controls) followed by 5 &#956;L of GST-hRIPK1 (8-327) at twice the final concentrations in assay buffer (50 mM HEPES pH 7.5, 10 mM NaCl, 50 mM MgCl2, 0.02% CHAPS, 0.5 mM DTT and 0.01% Pluronic F127). For negative control the enzyme addition was replaced by assay buffer only.After addition of 5 &#956;L of fluorescent-labeled ligand at twice the final concentrations in assay buffer, the plate was incubated at RT for 30 mM. At the end, the binding was measured as FP value with the Envision (PerkinElmer) plate reader using filter for an excitation &#955;=531 nm FP and an emission &#955;=595 nm FP (S & P-pol).
10301	1	TYK2 JH2 Domain Binding Assay	The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (1×PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.
10302	1	Sodium Influx Assay (In Vitro Assay)	This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which are maintained in an open state by use of sodium channel modulators. This high throughput sodium influx assay allows for rapid profiling and characterization of sodium channel blockers.In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
10302	2	Electrophysiological Assay (In Vitro Assay)	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).The following patch voltage clamp electrophysiology studies were performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings had a passage number of less than 40 for all studies and were used within three days from the time of plating. NaV1.1, NaV1.5 and NaV1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) were stably expressed in HEK-293 cells.Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaC external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.Currents were recorded at 40 kHz sampling frequency, filtered at 5 Hz, and stored using a Digidata-1322A analogue/digital interface with the pClamp software (Axon Instruments). Series resistance compensation was applied (60-80%). Cells were rejected if currents showed inadequate voltage control (as judged by the IV relationship during stepwise activation). All statistics in this study are given as mean±SD.The membrane potential was maintained at a voltage where inactivation of the channel is complete. The voltage is then stepped back to a very negative (Vhold=&#8722;150 mV) voltage for 20 ms and then a test pulse is applied to quantify the compound block. The 20 ms brief repolarization was long enough for compound-free channels to completely recover from fast inactivation, but the compound-bound channels recovered more slowly such that negligible recovery could occur during this interval. The percent decrease in sodium current following wash-on of compound was taken as the percent block of sodium channels.
10303	1	Activation of T1R1/T1R3 Receptor by Nucleotide Derivatives	HEK293 cells that stably express T1R3 and inducibly express T1R1 were exposed to nucleotide derivatives alone to activate the umami receptor. Activation of the T1R1/T1R3 receptor was detected by a change in intracellular calcium levels using a calcium sensitive fluorescent dye. Cells that express T1R3 but not T1R1 were used as a control. A FLIPR Tetra or a FlexStation 3 was used for data capture.
10303	2	Activation of T1R1/T1R3 Receptor by Nucleotide Derivatives (alanine)	The concentration of alanine is 20 mM.
10303	3	Activation of T1R1/T1R3 Receptor by Nucleotide Derivatives (IMP)	The concentration of IMP is 0.2 mM.
10303	4	Activation of T1R1/T1R3 Receptor by Nucleotide Derivatives (alanine and IMP) 	The concentration of alanine is 20 mM, and the concentration of IMP is 0.2 mM.
10304	1	Prolabel Quantification of IKZF1, IKZF2, or GSPT1 Protein Levels in 293GT Cells	The Prolabel system from DiscoverX was used to develop high-throughput and quantitative assays to measure changes in IKZF1, IKZF2, and GSPT1 protein levels in response to compounds. The prolabel tag is derived from the alpha fragment of beta galactosidase and has the following protein sequence: mssnslavvlqrrdwenpgvtqlnrlaahppfaswrnseeartdrpsqqlrslnge. The complementary fragment of beta-galactosidase (from DiscoverX), is added to the prolabel tag to form an active beta galactosidase enzyme whose activity can be precisely measured. In this way, the levels of a fusion protein with the prolabel tag can be quantified in cell lysates.Lentiviral vectors, based on the Invitrogen pLenti6.2/V5 DEST backbone, were constructed that placed the prolabel tag upstream of IKZF1, IKZF2, or GSPT1 and expressed the fusion protein from a CMV promoter.To ensure moderate and consistent expression of the prolabel fusion proteins across all cells in the population, stable cell lines were constructed from cells expressing a single copy of the construct. Lentivirus packaged with the constructs was made using the Virapower kit from Invitrogen. Strongly adherent 293GT cell, GripTite 293 MSR cells from Thermo Fisher Scientific (Catalog number: R79507), were infected with the virus at low multiplicity of infection and selected by 5 &#956;g/mL blasticidin for 2 weeks.
10305	1	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays	A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 &#956;M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
10306	1	YAP Reporter Assay	HEK293T cells stably transfected with 8XTBD luciferase reporter and pRLTK in 384-well plates were treated with the test compounds, starting from 3 &#956;M (final concentration in assay plate), 1:3 dilution, and 10 points in quadruplicates. Post 24-hr incubation with compounds at 37° C. and 5% CO2, cells were lysed and 8XTBD-driven firefly luciferase and control TK-driven renilla luciferase activities were measured using Promega Dual-Luciferase Reporter Assay System.Reagents: The reagents used for this study are: DMEM: Invitrogen #11960077, Dual-Glo Luciferase Assay System: Promega-E2980, Puromycin Dihydrochloride: Invitrogen-A1113803, 384-well plate: PerkinElmer-6007480, L-GLUTAMINE: Invitrogen-25030164, Hygromycin B: Invitrogen-10687010, and Penicillin-Streptomycin: Merk-TMS-AB2-CMedia: The media used for this assay were: Culture Medium: DMEM+1 ug/mL puromycin+200 ug/mL hygromycin (with 10% FBS+1 mM L-glutamine); and Assay Medium: DMEM (with 10% FBS+1 mM L-glutamine+1× P/S).Cell Plating: The appropriate media was warmed at 37° C. by water bath: Culture Medium, Assay Medium, 1*D-PBS, 0.05% trypsin-EDTA. The cells were trypsinized after removing all media, then washed with 1*sterile D-PBS and then with 2 ml 0.05% trypsin-EDTA. The cells were then incubated at RT for one minute. Then 10 ml/75 cm2 flask Assay Medium was added to each flask. Using a 10 ml pipette, the cells were then gently resuspended in the media, until the clumps completely disappeared. The cells were then transferred into 50 ml centrifuge tubes and were centrifuged at 800 rpm for 5 mins. The medium was removed and the cells were resuspended with Assay Medium. An aliquot of cells was used to count the cell density (cells/nil). The cell suspension was then diluted with Assay Medium to a concentration of 6×104 cells/ml. 50 ul cells suspension was then plated to 384-well plate (PerkinElmer-6007480), 3×103 cells/well and the cells were incubated in an incubator at 37° C., 5% CO2.Compound Treatment: In the afternoon (incubation of the plate with 3-4 hrs), the test compounds were added by Echo, starting from 3 uM (final concentration in the assay plate), 1:3 dilution, 10 points, quadruplicates. The plate was placed at 37° C., 5% CO2 incubator for 24 hrs.Detection: The Dual-Glo Luciferase Reagent was prepared by transferring the contents of one bottle of Dual-Glo Luciferase Buffer to one bottle of Dual-Glo Luciferase Substrate to create the Dual-Glo Luciferase Reagent. Mixing was performed by inversion until the substrate was thoroughly dissolved. After mixing, the reagent was aliquoted into 15 ml tubes. In the afternoon (24 hrs post compound treatment), the DMEM+ medium in the 384 well plates were aspirated by Microplate Washer.Measuring firefly luciferase activity: 20 ul Dual-Glo Luciferase Reagent was added to the 384-well plates. The plates were protected from light to prevent interference with the assay. The plates were shaken for 1 min followed centrifuging plates at 1000 rpm for 30 seconds. After waiting at least 10 minutes, the firefly luminescence was measured by Envision.Measuring renilla luciferase activity: 20 ul Stop-Glo Reagent was added to the 384-well plates. The plates were shaken for lmin and then centrifuged at 1000 rpm for 30 seconds. After waiting at least 10 minutes, the renilla luminescence was measured by Envision.
10307	1	Assays for Detecting and Measuring F508del-CFTR Modulator Properties of Compounds	The assay utilizes fluorescent voltage sensing dyes to measure changes in membrane potential using a fluorescent plate reader (e.g., FLIPR III, Molecular Devices, Inc.) as a readout for increase in functional F508del in NIH 3T3 cells. The driving force for the response is the creation of a chloride ion gradient in conjunction with channel activation and concurrent with compound treatment by a single liquid addition step after the cells have previously been loaded with a voltage sensing dye.
10308	1	Biochemical Assay for CDK7	The ability of compounds to inhibit CDK7 kinase activity was tested in a TR-FRET assay using 5 nM of CDK7/CycH/MNAT1 obtained from Invitrogen, USA. Test compounds were pre-incubated with the kinase at room temperature for 60 min. After incubation, substrate mix [100 nM Ultra-light MBP (Perkin Elmer, USA) and 1 mM ATP (Sigma)] was added. The above reaction was stopped by the addition of 40 mM EDTA after 60 minutes of kinase reaction. 1 nM Eu-labelled antiphospho-MBP antibody [Perkin Elmer, USA] was added, mixed well and the fluorescence emission at 615 nm and 665 nm [excitation at 340 nm] was measured. The final DMSO concentration in the assay was 1%. For IC50 determination, appropriate concentrations were made by &#8531;rd serial dilutions of 10 mM DMSO stock solution of test compound. All the fluorescence measurements were made in a Victor 3 Multilabel Counter [Perkin Elmer, USA]. The IC50 was determined by fitting the dose response data to sigmoidal curve fitting equation using GraphPad Prism software V5. To identify compounds that inhibit CDK7 irreversibly, time depended inhibition studies were carried by pre-incubating compound with the enzyme at three time points (20, 60 and 180 min) and carrying out assay as described above.
10309	1	Vasopressin V1A Receptor Antagonist Assay	The purpose of this assay was to determine the inhibitory effect of synthesized compounds on the Vasopressin V1a receptor. The assay as performed in Chinese Hamster Ovary (CHO) cells expressing the human Arginine Vasopressin Receptor 1a (AVPR1a). Arginine Vasopressin (AVP) evokes an increase in intracellular calcium in CHO-AVPR1a cells which is measured in a fluorescence assay on the FLIPRTETRA using calcium sensitive dyes. Test compounds were assessed for their ability to affect the magnitude of the response to AVP, with antagonists showing a concentration-dependent reduction in the AVP-mediated fluorescence. Compounds were tested in duplicate in a 10-point, 1:3 dilution series starting at a nominal concentration of 3 &#956;M in the assay.CHO-AVPR1a cells were maintained in routine culture in T175 Flasks at 37° C., 5% CO2. The growth medium consists of Ham&#39;s F12 media supplemented with 10% v/v fetal bovine serum, 1× non-essential amino acids, and 0.4 mg/ml Geneticin G418.
10309	2	Vasopressin V1B Receptor Antagonist Assay	The purpose of the assay is to determine the inhibitory effect of synthesized compounds on the Vasopressin V1b receptor. The assay was performed in Chinese Hamster Ovary (CHO) cells expressing the human Arginine Vasopressin Receptor 1b (AVPR1b). Arginine Vasopressin (AVP) evokes an increase in intracellular calcium in CHO-AVPR1b cells which is measured in a fluorescence assay on the FLIPRTETRA using calcium sensitive dyes. Test compounds were assessed for their ability to affect the magnitude of the response to AVP, with antagonists showing a concentration-dependent reduction in the AVP-mediated fluorescence.CHO-AVPR1b cells were maintained in routine culture in T175 Flasks at 37° C., 5% CO2. The growth medium consisted of Ham&#39;s F12 media supplemented with 10% v/v fetal bovine serum, 1× non-essential amino acids, and 0.4 mg/ml Geneticin G418.
10309	3	Vasopressin V2 Receptor Antagonist Assay	The purpose of the assay was to determine the inhibitory effect of synthesized compounds on the Vasopressin receptor 2. The assay was performed in commercially available 1321N1 cells expressing the human Arginine Vasopressin Receptor V2 (AVPR2) (Perkin Elmer #ES-363-CF). Arginine Vasopressin (AVP) evokes an increase in intracellular cAMP in these cells which is measured in a TR-FRET assay using a Europium cAMP tracer and ULight labelled antibody reagents contained in a LANCE Ultra cAMP kit (Perkin Elmer #TRF0263). Increases in cAMP in the assay result in a reduction in TR-FRET as the cAMP produced by the stimulated cells competes with the Eu-cAMP tracer for binding sites on the ULight labelled antibody. Test compounds were assessed for their ability to affect the magnitude of the response to AVP, with antagonists showing a concentration-dependent decrease in the AVP-mediated reduction in TR-FRET signal.cAMPZen V2 assay ready cells were thawed at 37° C. and resuspended directly from frozen in 9 ml growth medium consisting of DMEM supplemented with 10% v/v fetal bovine serum, 1× non-essential amino acids, and 1 mM sodium pyruvate. Cells were spun at 1000 rpm for 3 minutes and the supernatant was carefully removed and discarded. The pellet was resuspended in 5 ml stimulation buffer and the cell density determined using the Vi-Cell automated cell counter. The cell suspension was diluted to a 0.2×106/ml suspension ready for plating. To all wells of a white 384-well Optiplate (Perkin Elmer #6007299) 5 &#956;L of cells in stimulation buffer were dispensed (1,000 cells per well). Stimulation buffer consisted of HBSS (+Ca/+Mg) supplemented with 5 mM HEPES, 0.1% BSA stabiliser and 0.5 mM IBMX.
10309	4	Oxytocin Receptor Antagonist Assay	This assay was performed in CHEM-1 cells expressing the human Oxytocin Receptor (hOTR) to determine the inhibitory effect of the compounds of the invention on the human Oxytocin receptor. Oxytocin evokes an increase in intracellular calcium in CHEM-1-hOTR cells which is measured in a fluorescence assay on the FLIPRTETRA using calcium sensitive dyes. Test compounds were assessed for their ability to affect the magnitude of the response to oxytocin, with antagonists showing a concentration-dependent reduction in the oxytocin-mediated fluorescence. Compounds displaying potency at the vasopressin V1a receptor of <100 nM were progressed to selectivity testing against hOTR and were tested in triplicate in a 10-point, 1:3 dilution series starting at a nominal concentration of 3 &#956;M in the assay.CHEM-1-hOTR ready was used to assay frozen cells (Eurofins #HTS090RTA) which are supplied with a proprietary Media Component.
10310	1	Kinase Inhibition Test	BTK (Invitrogen, catalog number: PR5442A), HTRF-TK kit (Cisbio, catalog number: 62TK0PEC), MgCl2 (SIGMA, catalog number: 63020-1L), ATP (Sigma, catalog number: A7699-1G), DMSO (Sigma, catalog number: D2650), BSA (Sigma, catalog number: V900933), 384-well plate (compound dilution plate) (Greiner, catalog number: 781280), 384-well plate (test plate) (Perkin Elmer, catalog number: 6007299); XL-665 (CIS Bio International, catalog number: 610SAXL).Experimental Procedures:1) Compound dilution: The test compounds were dissolved in DMSO to make a 10 mM stock solution. Compounds were diluted to 1 mM in DMSO prior to use, and serially diluted (3-fold) in 384 well plates for a total of 11 concentrations, with final concentrations ranging from 10 &#956;M to 0.17 nM.2) Kinase assay: in a 10 &#956;L reaction system (containing buffer 50 mM Hepes (pH 7.5), 5 mM MgCl2, 0.01 mM Na3VO4, 1% BSA) in a 384-well plate, 1 nM BTK, 1 &#956;M biotin-TK peptide (from HTRF-TK kit) and 20 &#956;M ATP were incubated at 23° C. for 90 minutes. 10 &#956;L stop solution containing 20 mM EDTA, 1.67 nM TK antibody, 62.5 nM XL-665 was added and incubated at 23° C. for 60 minutes, then read with Envision.3) IC50 value calculation: The inhibition rate of the compound was calculated from the data read by the instrument, and then the IC50 value was calculated using the mode 205 of XLFIT5 of IDBS.
10312	1	PI3K-gamma Scintillation Proximity Assay	[&#947;-33]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, N.Y.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10312	2	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from SigmaAldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10313	1	Enzymatic Assay	An IMAP TR-FRET-based phosphodiesterase assay was developed using the PDE2A isoform. IMAP technology is based on high-affinity binding of phosphate by immobilized metal (MIII) coordination complexes on nanoparticles. The IMAP binding reagent recognizes phosphate groups on AMP or GMP generated from cAMP or cGMP in a PDE reaction. Cyclic nucleotides that carry a phosphodiester bond and not a free phosphate are not recognized by the binding reagent. The time resolved fluorescence resonance energy transfer (TR-FRET) is afforded by a Terbium (Tb)-Donor pre-bound to the nanoparticles. FRET occurs when the fluorescent-labeled AMP or GMP product of a PDE reaction binds and comes into close proximity to the Tb-Donor complex. Due to the long lifetime of Tb fluorescence, detection can be run in time-resolved mode to reduce or eliminate interference from auto-fluorescent compounds.The IMAP TR-FRET PDE2A assay was performed in 1536-well white plates. A total of 250 pg per well of FLAG-tagged PDE2A1 (amino acids 2-941) was dispensed in 2.5 &#956;L IMAP assay buffer consisting of 10 mM Tris pH 7.2, 10 mM MgCl2, 1 mM DTT, and 0.1% fatty acid free BSA. 30 nL of compound was then added from 1 mM stocks in DMSO using a Kalypsys Pintool. Plates were incubated for 5 min at room temperature before dispensing 1.5 &#956;L of 533 nM FAM-cAMP substrate for a final concentration of 200 nM. Following a brief centrifugation, plates were incubated for 30 min at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent Tb complex to each well which was prepared according to manufacturer&#39;s recommendations (Molecular Devices). Plates were incubated an additional 90 minutes at room temperature and read on a Viewlux plate reader. All compounds were solvated at a concentration of 10 mM in DMSO and tested in 11-point half-log dose-response. Curve fitting and IC50 values were determined using a standard four parameter fit.PDE2
10314	1	ACC1 Enzyme Activity Assay	4.5 &#956;L of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 &#956;L of different concentrations of compound were added. The mixture was incubated at room temperature for 15 min.2× Substrate (40 &#956;M ATP, 20 &#956;M acetyl CoA, 60 mM NaHCO3) was prepared using the buffer prepared in 2.1; 5 &#956;L of 2× substrate was added to the 384-well plate, and the mixture was incubated at room temperature for 30 min; 10 &#956;L ADP-Glo reagent was added, the mixture was incubated at room temperature for 40 min, and then the reaction was terminated; finally, 20 &#956;L of the enzyme detection reagent was added, the mixture was incubated at room temperature for 40 min, and an Envision 2104 instrument was used to read the relative light units (RLU).
10314	2	ACC2 Enzyme Activity Assay	4.5 &#956;L of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 &#956;L of different concentrations of compound were added. The mixture was incubated at room temperature for 15 min.2× Substrate (40 &#956;M ATP, 40 &#956;M acetyl CoA, 24 mM NaHCO3) was prepared using the buffer prepared in 2.1; 5 &#956;L of 2× substrate was added to the 384-well plate, and the mixture was incubated at room temperature for 30 min; then 10 &#956;L ADP-Glo reagent was added, the mixture was incubated at room temperature for 40 min, and then the reaction was terminated; finally, 20 &#956;L of the enzyme detection reagent was added, the mixture was incubated at room temperature for 40 min, and an Envision 2104 instrument was used to read the relative light units (RLU).
10315	1	NF-keppaB Inhibitory Activity Evaluation Test	A549/NF-&#954;B-luc cells (available from Panomics, Cat No. LR0051) were prepared at 375,000 cells/mL in the culture medium. The 375,000 cells/mL A549/NF-&#954;B-luc cell suspension was seeded at 80 &#956;L each on a white 96-well plate (available from Greiner, Cat No. 655073). One hour after seeding the cells, 10 &#956;L of 2% DMSO solution (control) and each compound solution in each concentration were added to each well of the 96-well plate. One hour after the addition of each compound solution, 10 ng/mL of the TNF-&#945; solution (10 &#956;L) was added to each well of the 96-well plate. Three hours after the addition of 10 ng/mL of the TNF-&#945; solution, 100 &#956;L of Steady-Glo reagent (available from Promega, Cat No. E2510) was added to each well of the 96-well plate. After 30 to 90 minutes of the addition of the Steady-Glo reagent, the luminescence intensity of each well was detected by EnVision multilabel counter (available from PerkinElmer).
10316	1	Inhibition of Auto-Phosphorylation of Recombinant Human NF-kappaB-Inducing Kinase (NIK1/AP3K14) Activity	NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreen (&#945;screen) format (Perkin Elmer). All compounds tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. Final DMSO concentration was 100 (v/v) in assays. Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.01% Tween 20. Assays were carried out in 384 well Alphaplates (Perkin Elmer). Incubations consisted of compound, 25 microM Adenosine-5&#8242;-triphosphate (ATP), and 0.2 nM NIK/MAP3K14. Incubations were initiated by addition of GST-tagged NIK/MAP3K14 enzyme, carried out for 1 h at 25° C. and terminated by addition of stop buffer containing anti-phospho-KK Ser176/180 antibody. Protein A Acceptor and Glutathione-Donor beads were added before reading using an EnVision Multilabel Plate Reader (Perkin Elmer). Signal obtained in the wells containing blank samples was subtracted from all other wells and IC50&#39;s were determined by fitting a sigmoidal curve to % inhibition of control versus Log10 compound concentration.
10317	1	 cAMP Assay of SSTR2	Four days prior to the assay, 5,000 Chinese hamster ovary cells (CHO-K1, ATCC #CCL-61) stably expressing the human somatostatin receptor subtype 2 are plated in each well of a 96-well tissue culture-treated plate in Ham&#39;s F12 growth media (ThermoFisher #10-080-CM) supplemented with 10% donor bovine serum (Gemini Bio-Products #100-506), 100 U/mL penicillin; 100 ug/mL streptomycin; 2 mM L-glutamine (Gemini Bio-Products #400-110) and 0.2 mg/mL hygromycin B (GoldBio #31282-04-9). The cells are cultured at 37° C., 5% CO2 and 95% humidity. On the day of the assay, the media is aspirated and the cells are treated with 50 &#956;L of 1.6 &#956;M NKH477 (Sigma #N3290) plus various dilutions of compounds of the invention in assay buffer [1× Hank&#39;s Balanced Salt Solution (ThermoFisher #SH3058802), 0.5 mM HEPES pH 7.4, 0.1% bovine serum albumin, 0.2 mM 3-Isobutyl-1-methylxanthine (IBMX, VWR #200002-790)]. The cells are incubated for 20 minutes at 37° C. (the final concentration of the compounds of the invention are typically 0-10,000 nM). The cells are treated with 50 &#956;L of lysis buffer (HRTF cAMP kit, Cisbio). The lysate is transferred to 384-well plates and cAMP detection and visualization antibodies are added and incubated for 1-24 hours at room temperature. The time-resolved fluorescent signal is read with a Tecan M1000Pro multiplate reader. The intracellular cAMP concentrations are calculated by regression to a standard curve and are plotted vs. the concentration of the compounds of the invention and the EC50 of the compounds are calculated using standard methods. All data manipulations are in GraphPad Prism v6.
10318	1	Competition Displacement Assay	Compound binding to CB1R was assessed in competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain. 
10319	1	Biochemical Assay	The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4×Reaction Buffer; 2) native PIP2 (substrate); 3) Stop (EDTA); 4) Detection Mix A (Streptavidin-APC); 5) Detection Mix B (Eu-labeled Anti-GST plus GST-tagged PH-domain): 6) Detection Mix C. In addition, the following items were obtained or purchased; PI3Kinase (catalog #&#39;s alpha 14-602, beta 14-603, gamma 14-558 and delta 14-604 from Upstate Biotechnology now EMD Millipore, Mahopac, N.Y., USA), dithiothreitol (Sigma-Aldrich Corp. (St. Louis, Mo., USA) Catalog #D-5545), Adenosine-5&#8242; triphosphate (InVitrogen (Waltham, Mass., USA), Cat#AS001 &#8491;), native PIP3 (PI(3,4,5)P3, diC8, H+, CELLSIGNALS, INC., (Columbus, Ohio, USA) Cat #907) DMSO ((Sigma-Aldrich Corp. (St. Louis. Mo., USA) Catalog #472301).PI3Kinase Reaction Buffer is prepared by dilution the stock 1:4 with de-ionized water. DTT (DL-Dithiothreitol), phosphatidylinositol 4,5-bisphosphate (PIP2) and Biotin-PIP3 were added to 1536 assay plate at a final concentration of 5 mM, 5 mM and 25 nM on the day of use. Enzyme addition and compound pre-incubation are initiated by the addition of 1.25 ul of PI3K (at twice its final concentration) in the 1× reaction buffer to all wells using a BioRaptor . Plates are incubated at room temperature for 15 minutes. Reactions are initiated by addition of 1.25 ul of 2× substrate solution (PIP2 and ATP in 1× reaction buffer) using BioRaptor . Plates are incubated in humidified chamber at room temperature for one hour. Reactions are quenched by addition of 0.625 uL of stop solution to all wells using the BioRaptor . The quenched reactions are then processed to detect product formation by adding 0.625 uL of Detection Solution to all wells using the BioRaptor (Detection mix C, Detection Mix A and Detection Mix B combined together in an 18:1:1 ratio prepared 2 hours prior to use). Following a one hour incubation in the dark, the HTRF signal is measured on the Envision plate reader set for 330 nm excitation and dual emission detection at 620 nM (Eu) and 665 nM (APC).
10320	1	Biochemical Assay	Inhibition of SHP-2 activity by small molecule inhibitors was monitored by a biochemical DiFMUP pseudosubstrate-fluorogenic assay. SHP-2 enzyme at final concentration of 0.2 nM was incubated with an IRS-1 activator peptide at a final concentration of 1 &#956;M in SHP-2 assay buffer (60 mM HEPES, pH 7.2-7.5, 0.05% Tween-20, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, and 5 mM DTT) for 75 min at room temperature. The reaction mix was added to the 384-well non-binding plate which had been pre-spotted with 1:3 serial diluted compounds from 10,000-0.005 nM, and incubated at room temperature for 90 min. DiFMUP substrate at final concentration of 50 &#956;M was then added to the wells and incubated for additional 30 min at room temperature. The final reaction volume was 20 &#956;l/well. The fluorescence intensity of the reaction product was measured by Envision at excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were generated using normalized IC50 regression curve fitting by in house dose response analysis tools. The wells with DMSO vehicle were used as controls (100% signal). The percent (%) control of SHP-2 compound was calculated as: (Compound well fluorescence counts/DMSO fluorescence counts)×100%.
10321	1	Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. By the use of Dotmatics software compound concentration versus percent inhibition was fitted to generate IC50 values.
10322	1	Receptor Binding Assay	The Ki (binding affinity) for &#956;-receptor was determined with a previously described method using a competitive displacement assay (Neumeyer et al., J. Med. Chem., v. 46, p. 5162-5170, 2003). Membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed one type of the cloned human opioid receptor were incubated with 12 different concentrations of the compound in the presence of 0.25 nM [3H]DAMGO, 0.2 nM [3H]naltrindole or 1 nM [3H]U69,593 in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO and [3H]U69,593. Because of a slower association of [3H]naltrindole with the receptor, a 3 h incubation was used with this radioligand. Samples incubated with [3H]naltrindole also contained 10 mM MgCl2 and 0.5 mM phenylmethylsulfonyl fluoride. Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. For [3H]naltrindole and [3H]U69,593 binding, the filters were soaked in 0.1% polyethylenimine for at least 60 min before use. IC50 values will be calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand).
10323	1	Enzymatic Activity Assay	The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepared with 8-point serial dilutions for the test compounds on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 &#956;l per well of peptide/ATP-solution (4 &#956;M FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2, 164 &#956;M ATP) in kinase buffer (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &#956;M sodium orthovanadate, 18 mM MgCl2, 1 mM MnCl2) and 4.5 &#956;l per well of enzyme solution (6.4 nM full-length human recombinant BTK) in kinase buffer. Kinase reactions were incubated at 30° C. for 60 minutes and subsequently terminated by addition of 16 &#956;l per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Kinase reactions were analyzed on a Caliper LC3000 workstation by separating phosphorylated and unphosphorylated peptides and kinase activities were calculated from the amounts of newly formed phospho-peptide. Inhibition data were calculated by comparison to control reactions without enzyme (100% inhibition) and without inhibitors (0% inhibition).
10324	1	Inhibition Assay	FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships. 
10324	2	Inhibition Assay	Plasma Kallikrein: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
10325	1	Enzymatic Activity Assay	The enzymatic activity of Wild Type HPK1 (MAP4K1) Kinase was measured in the presence or absence of an inhibitor compound of the present disclosure by preparation of a reaction mixture containing a fluorescein tagged peptide (2 micromolar final concentration), ATP (Adenosine Triphosphate, 500 micromolar final concentration) and Wild Type kinase (6 nM final concentration) in a buffer system comprising 50 mM HEPES (Buffer), 3 mM MgCl2, 5% w/v Trehalose, 0.01% Brij 35 (Detergent), 0.1% Pluronic F127 (Surfactant), 0.1 mM EDTA (Ethylenediaminetetraacetic acid), 0.1 mM EGTA (ethylene glycol-bis(&#946;-aminoethyl ether)-N,N,N&#8242;,N&#8242;-tetraacetic acid) and 1 mM DTT (Dithiothreitol) and at a pH of 7.4. The reactions were quenched by the addition of EDTA to a final concentration of 25 mM. A Caliper EZ reader was used to measure the extent of substrate to product conversion.The peptide substrate used in the HPK1 assay was designed based on the amino acid sequence surrounding serine residue 376 of SLP76-Lymphocyte cytosolic protein 2 (a known intracellular substrate of HPK1). This sequence SSFPQSAsLPPYFSQ was modified as follows for use in Caliper assays of HPK1: the serine residues on either side of serine 376 were replaced with alanine, three lysine residues were added at the N-terminus and a fluorescein tag (FAM) was attached to the C-terminus to produce the sequence, FAM-FPQAAsLPPYFAKKK.
10326	1	Determination of the IC50 for plasma kallikrein	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10326	2	Determination of the IC50 for KLK1	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10326	3	Determination of the % Inhibition for FXIa	FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human FXIa (Enzyme Research Laboratories) was incubated at 25° C. with the fluorogenic substrate Z-Gly-Pro-Arg-AFC and 40 &#956;M of the test compound (or alternatively at various concentrations of the test compound in order to determine IC50). Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10326	4	Determination of the % Inhibition for FXIIa	Factor XIIa inhibitory activity in vitro was determined using standard published methods (see e.g. Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Baeriswyl et al., ACS Chem. Biol., 2015, 10 (8) 1861; Bouckaert et al., European Journal of Medicinal Chemistry 110 (2016) 181). Human Factor XIIa (Enzyme Research Laboratories) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10326	5	Determination of the Ki for Plasma Kallikrein	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with 10 concentrations of the test compound and 8 concentrations of the fluorogenic substrate H-DPro-Phe-Arg-AFC spanning a range of at least ×Km to 5×Km. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in fluorescence at 410 nm. The Ki value for the test compound was determined using the mixed-model inhibition equation (based on Equation 3.2 in: RA Copeland, Evaluation of Enzyme Inhibitors in Drug Discovery, Wiley 2005) in GraphPad Prism. The mixed model equation includes competitive, uncompetitive and noncompetitive inhibition as special cases and the parameter of Alpha to indicate mechanism of inhibition.
10326	6	Determination of Enzyme Selectivity	Human serine protease enzymes plasmin, thrombin and trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 minutes. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. The Km for the cleavage of each substrate was determined by standard transformation of the Michaelis-Menten equation. The compound inhibitor assays were performed at substrate Km concentration and activities were calculated as the concentration of inhibitor giving 50% inhibition (IC50) of the uninhibited enzyme activity (100%).
10327	1	Binding Assay	The biochemical potency of compounds was determined using a proximity-based assay (ALPHASCREEN , Perkin Elmer, Waltham, Mass.) as described previously (Ullman E F et al., Luminescent oxygen channeling immunoassay: Measurement of particle binding kinetics by chemiluminescence. Proc. Natl. Acad. Sci. USA, Vol. 91, pp. 5426-5430, June 1994). To gauge the potency of inhibitors of binding to human integrin &#945;v&#946;6, inhibitor compounds and integrin were incubated together with TGF-b1 LAP and biotinylated anti-LAP antibody plus acceptor and donor beads, following the manufacture&#39;s recommendations. The donor beads were coated with streptavidin. The acceptor beads had a nitrilotriacetic acid Ni chelator, for binding to a 6×His Tag on human integrin &#945;v&#946;6. All incubations occurred at room temperatures in 50 mM Tris-HCl, pH 7.5, 0.1% BSA supplemented with 1 mM each CaCl2 and MgCl2.The order of reagent addition was as follows:1. Alpha-v-beta-6 integrin, test inhibitor compound, LAP, biotinylated anti-LAP antibody and acceptor beads were all added together.2. After 2 hours, donor beads were added. After another 30 minute incubation, samples were then read.Integrin binding was evaluated by exciting donor beads at 680 nm, and measuring the fluorescent signal produced, between 520-620 nm, using a Biotek Instruments (Winooski, Vt., USA) SynergyNeo2 multimode plate reader. 
10328	1	In Vitro Assay (FLIPR)	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps). The fluorescence indicator used in the primary fluorescence assay was the cell permeant version of CoroNa Green (Invitrogen, Molecular Probes, Eugene, Oreg.), a dye that emits light in the fluorescence range (Harootunian et al., J. Biol. Chem. 264(32):19458-19467 (1989)). The intensity of this emission, but not the wavelength range, is increased when the dye is exposed to Na+ ions, which it can bind with partial selectivity. Cells expressing Nav1.7 or other sodium channels were loaded with the CoroNa Green dye immediately in advance of the fluorescence assay, and then, after agonist stimulation, the mobilization of Na+ ions was detected as the Na+ ions flowed from the extracellular fluid into the cytoplasm through the activated sodium channel pores. The dye was stored in the dark as a lyophilized powder, and then an aliquot was dissolved immediately before the cell loading procedure, according to the instructions of the manufacturer, to a stock concentration of 10 mM in DMSO. It was then diluted in the assay buffer to a 4× concentrated working solution, so that the final concentration of dye in the cell loading buffer was 5 &#956;M.
10328	2	In Vitro Assay (MP)	The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4, 5.33 mM KCl, 0.441 mM KH2PO4, 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps). The fluorescence indicator used in the primary fluorescence assay was the cell permeant version of CoroNa Green (Invitrogen, Molecular Probes, Eugene, Oreg.), a dye that emits light in the fluorescence range (Harootunian et al., J. Biol. Chem. 264(32):19458-19467 (1989)). A fluorescence indicator that can be used in alternative fluorescence assays is the blue version membrane potential dye (MDS, Molecular Devices, Sunnyvale, Calif.), a dye that detects changes in molecules following a change in membrane potential. An increase in fluorescence is expected if agonist stimulation provokes a change in membrane potential. Cells expressing Nav1.7 or other sodium channels are incubated with the membrane potential dye 30-60 minutes before the fluorescence assay. In the case of the KCl pre-stimulation version of the assay, the dye and all other components are washed out immediately before the assay, and the dye is then replaced. In the version lacking KCl pre-stimulation, the dye remains on the cells and is not washed out or replaced. The dye is stored in the dark as a lyophilized powder, and then an aliquot dissolved in assay buffer to form a 20×-concentrated stock solution that can be used for several weeks.
10329	1	Ca2+-Calmodulin Dependent PDE Enzyme Assays	PDE1B, PDE1A, and PDE1C are cloned and purified following standard protein generation procedures. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 50 mM MgCl2, 4 mM CaCl2, 0.1% Bovine serum albumin and 6 U/ml Calmodulin in water, at pH 7.5. The final enzyme concentration is 0.25, 0.074 and 0.0012 nM, for PDE1A, PDE1B and PDE1C respectively. The reactions are started by addition of the substrate, [3H]cAMP, to give a final concentration of 47 nM.
10329	2	PDE Enzyme Assays Using [3H]cAMP as Substrate	The following phosphodiesterase activities are measured using [3H]cAMP as reaction substrate: human PDE3A (catalytic domain) and human PDE4D. Both enzymes are cloned and purified following standard procedures. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgCl2, 1.7 mM ethylenediaminetetraacetic acid (EDTA) and 0.1% Bovine serum albumin at pH 7.5. Final enzyme concentrations are 0.008 and 0.021 nM for PDE3A and PDE4D, respectively. Reactions are started by addition of the substrate, [3H]cAMP, to give a final concentration of 47 nM.
10329	3	PDE Enzyme Assays Using [3H]cGMP as Substrate	The following phosphodiesterase activities are measured using [3H]cGMP as reaction substrate: human PDE6A/6B. The catalytic active form of human PDE6 is a dimer composed of a &#945; (human PDE6A) and &#946; subunits (human PDE6B). The dimer of human PDE6A/6B is produced by the coexpression and purification strategy, using two purification steps, i.e., NiNTA and anti-FLAG Sepharose chromatography. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgCl2, 1.7 mM EDTA and 0.1% Bovine serum albumin at pH 7.5. The final enzyme concentration is 5 nM. The reactions are started by addition of the substrate, [3H]cGMP, to give a final concentration of 80 nM.
10330	1	High Throughput Screening (HTS) Assa	A high throughput screening (HTS) assay and together with NCATS screened over 350,000 compounds in attempt to identify novel GLS inhibitor structures. 
10331	1	[35S]GTP&#947;S Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/mL membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 M Pyr-Apelin-13 which was used as control at a final concentration of 3 M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.).
10332	1	Radiochemical Assay	Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is added to freshly prepared Base Reaction Buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and Myelin Basic Protein (20 &#956;M final). Test compounds in DMSO are then added and the mixture, followed by delivery of 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) to initiate the reaction. The kinase reaction is incubated for 120 min at room temperature. The entire reaction mixture is washed through onto a P81 Phosphocellulose paper and washed three times for 10 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
10332	2	PAS Kinase FRET Assay	The aim of the FRET assay is to determine the inhibition potential of test compounds on targeted kinase. This assay platform provides a homogenous screening method for measuring kinase activity by quantitating the amount of phospho-substrate in solution following a kinase reaction.In the presence of kinase and ATP, the Ulight-peptide is phosphorylated and captured by an anti-phospho-substrate antibody, which brings the Eu chelate donor and Ulight acceptor dyes into close proximity. Upon excitation at 340 nm, the Eu chelate transfers its energy to the Ulight dye, resulting in a fluorescent light emission at 665 nm.Titration of kinase at 1 mM ATP was achieved via the following protocol. After making serial three-fold dilutions of PASK (Invitrogen) in reaction buffer across the plate; 5 &#956;l of kinase dilution and 5 &#956;l substrate/ATP mix were added to the wells of the white Optiplate-384 (PerkinElmer). The contents of the plate were and incubated at RT for 1 h. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FRET mode (665 nm/615 nm). The results were graphed to calculate the EC50.Titration of ATP at the EC50 concentration of kinase to determine ATP Km,app. was performed using the following method. After making serial dilutions of ATP (Invitrogen), 5 &#956;l of ATP dilution and 5 &#956;l substrate/kinase mix were added to the wells of the white Optiplate-384 (PerkinElmer). The contents of the plate were and incubated at RT for 1 h. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FRET mode (665 nm/615 nm). The results were graphed to calculate the EC50 as the ATP Km,app.Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO at RT for 1 hour, and then sonicating at 100% output for 8 minutes. If compound is not soluble under this condition, it was diluted to 3 mM. Kinase reaction buffer was prepared containing 10 mM MgCl2, 50 mM HEPES, 1 mM EGTA, 0.01% TWEEN-20, 2 mM DTT. Serial dilutions of the test compounds were prepared at 4xfinal assay concentrations using Freedom EVO200 dispensing system as follows: 12x10&#8722;5 M, 4x10&#8722;5 M, 1.33x10&#8722;5 M, 4.44x10&#8722;6 M, 1.48x10&#8722;6 M, 4.92x10&#8722;7 M, 1.65x10&#8722;7 M, 5.48x10&#8722;7 M, 1.82x10&#8722;8 M, 6.09x10&#8722;9, 2.03x10&#8722;9 M. Test compounds (2.5 &#956;l at 4xthe final assay concentration) was added to wells using Freedom EVO200 dispensing system. As a positive control, 2.5 &#956;l of positive compound was added to assay wells, and 2.5 &#956;l of DMSO to assay wells as vehicle control. Kinase solution was prepared in reaction buffer at 2xfinal assay concentration. Kinase solution (5 &#956;l) was added to each well of the assay plate. The substrate and ATP solution was prepared in kinase reaction buffer at 4xfinal assay concentration. The kinase reaction was started by adding 2.5 &#956;l of substrate+ATP mix solution to each well of the assay plate. The plate is mixed on a plate shaker; then covered and allowed to react for 2 hours in the dark at 25 C. without shaking. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes in the dark. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT.
10333	1	Inhibition Assay	Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the increase in absorbance of product formed, p-nitrophenol (pNP) at 405 nm. The reaction was started by the addition of mPTPB into a final volume of 200 &#956;L master mix containing pH 7.0 3,3-Dimethyl glutarate buffer (50.0 mM, 1 mM EDTA, 0.15M NaCl), 3.0 mM pNPP. IC50 values for each compound were determined by varying the concentration of the inhibitor at fixed concentrations of the enzyme and by fitting the dose-response data into the four-parameter logistic curve (eq 1) model of GraphPad prism 7.02, as follows. A I /A 0 =IC 50/(IC 50+[I]).The inhibition assay for these PTPs were performed under the same conditions as mPTPB except using a different pNPP concentration corresponding to the Km of the FTP studied.
10334	1	Inhibitory Activity Assay	Table 2-3: Step 1. Add 50 &#956;l anti-DIAPH1 (1:160 dilution in 0.1M NaHCO3 pH 9.6)/well. Incubate overnight at 4° C. Day 2 Step 2. Use the plate washer to aspirate anti-DIAPH11 and wash plates 4× with PBS 100 &#956;l per well per wash. Step 3. Add 180 &#956;l 3% BSA in 1×PBS. Incubate for 1.5 hrs at room temperature Step 4. Use the plate washer to aspirate the blocking solution and wash 5× with PBS 300 &#956;l per well. Step 5. Add 50 &#956;l of DIAPH1 containing lysate (85 &#956;g) and incubate at RT for 3 hours. Step 6. Aspirate the lysate and wash the plate 5×(100 &#956;l) on the plate washer. Step 7. Add 25 &#956;l PBS to the wells. Step 8. Add 0.5 &#956;L compound per well. Step 9. Add 24.5 &#956;L GFP RAGE tail (125 nM) into each well for 2 hrs at room temperature. Step 10. Aspirate and wash 5× with PBS (100 &#956;L) on the plate washer. Step 11. Add 100 &#956;l PBS in each well. Step 12. Detection: Read on fluorescence plate reader excitation 435 nm and 485 nm emission
10334	2	Fluorescence Binding Assay	Table 4: Native tryptophan fluorescence experiments were conducted using a Horiba Jobin Yvon Fluorolog spectrofluorometer. 1 mM of compound was dissolved in 10 mM phosphate buffer [pH 7.0] and 50% DMSO. ctRAGE was bacterially expressed and purified as described1. 10 nM ctRAGE solution was individually titrated from 0.1 nM-100 &#956;M with the compounds in 100 &#956;L of 10 mM phosphate buffer [pH 7.0] and 5% DMSO. The excitation and emission wavelengths were 280 nm and 352 nm, respectively. Dissociation constants, Kd, were estimated from the changes in peak fluorescence intensities as a function of the free compound concentration by using Prism 5 software (GraphPad). Data were fit to the equation, (F&#8722;F0)/Fmax=[compound]/(Kd+[compound]) where F is the fluorescence intensity at a given compound concentration, F0 is the fluorescence intensity of the blank, and Fmax is the maximum fluorescence intensity.
10335	1	Plasma kallikrein Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader (Winooski, Vt., USA). Data were analyzed using SigmaPlot software (Systat Software, Inc., San Jose, Calif., USA) (Four Parameter Logistic Curve). Ki values for the inhibitors were determined using the Cheng-Prusoff equation (Biochem. Pharmacol. 1973, 22, 3099).
10337	1	Fluorescence Polarization (FP) Assay	This assay is used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding domain (BBD) of the SMRT/NCOR2 corepressor proteinCompounds were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at &#8722;20° C. for repeat studies and future work. The reaction mixture consists of 1.25 uM of the 25 kd BCL6-BTB domain (Thioredoxin-His6-STag-TEV-biotinylation-thrombin-BCL6 amino acids 1-129) plus 20 nM of the peptide probe Ac-GSLVATVKEAGRSIHEIPA (SEQ ID NO:1) with 16 amino-acids (16-mer peptide) from the SMRT BBD (1414-1429) with a Bodipy-TMR fluorescent label on the lysine. The assay buffer was 10 mM HEPES pH7.4, 150 mM NaCl, 0.05% Tween-20, 3 mM EDTA, and had a final DMSO concentration of 5%. 20 ul of this assay mixture was added to each well of the 384 well plates with the exception of the control wells that contained no protein (for setting the minimum FP value). Compounds were directly sprayed using an HP D300 Digital Dispenser from 10 mM DMSO stocks onto black 384 well plates (greiner bio-one #781900) in a concentration range from 1 uM to 500 uM (10 points in duplicate). The assay was equilibrated for 1 hour prior to reading the FP values (Ex 540 nm/Em 580 nm) with a Perkin Elmer Envision plate reader. The results were curve fitted and IC50 values were calculated using the BioAssay software from CambridgeSoft. Representative compounds displayed IC50<2 uM in this assay (NB: lower limit of this assay was 1 uM).
10338	1	Biochemical Assay	Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on human cytoplasmic dynein 2, the isoform involved in ciliary transport and Hedgehog signaling, as its inhibition in this assay has not been previously demonstrated. We purified an N-terminally GFP-tagged motor-domain construct of dynein 2 using an insect cell expression system [Schmidt et al., Nature. 2015; 518(7539):435-8]. The GFP tag in this construct allowed immobilization on passivated glass coverslips used in microtubule gliding assays. GFP-dynein 2, in the presence of ATP (1 mM), moved microtubules with a velocity of 128±14 nm/s. The mean velocity of dynein 2-driven microtubule gliding in the presence of control solvent (2% DMSO) and test compounds at 20 pM were compared. All motility assays were run at 1 mM MgATP, 0.05 mg/mL casein, and 2% DMSO. 
10339	1	Binding Assay	The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were conducted in 384 well microplates in assay buffer (50 mM HEPES-HCl, pH 7.5, 100 mM NaCl, 1 mg/ml BSA, 0.05% CHAPS, and 0.5% DMSO) with compounds added as DMSO stocks at a single concentration or with 10-point dose response titrations. BET protein or assay buffer were delivered to the appropriate wells of the microplate. Test compound was then delivered by acoustic technology via a Labcyte Echo550 liquid handler. The microplate was centrifuged for 5 min and pre-incubated for 30 min at RT with gentle shaking. The ligand (histone H4 peptide (1-21) K5/8/12/16Ac-biotin) was delivered and the microplate was again centrifuged for 5 min and allowed to incubate for 30 min at RT with gentle shaking. Donor beads were then added in the absence of light and the microplate was centrifuged and gently shaken. After 5 min, acceptor beads were added in the absence of light and the microplate was centrifuged and gently shakenin the dark for 60 min. The microplate was read using a Perkin Elmer EnSpire Alpha plate reader (&#955;Ex/&#955;Em=680/520-620 nm). Percent inhibition was calculated relative to positive and negative controls on a per plate basis. 
10340	1	Human Orexin 2 Receptor Radioligand Binding Studies	HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in DMEM, 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 1× HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phoshpate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moravek Corporation, specific activity=27 Ci/mmol), diluted to a 20 nM concentration in PBS (5 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-carboxamide, CAS Registry #1089563-88-1). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (Perkin Elmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard). IC50 values (i.e. concentration of unlabelled compound required to compete for 50% of specific binding to the radioligand) were calculated using the GraphPad Prism software (GraphPad Prism Software Inc., San Diego, Calif.) with a fit to a sigmoidal dose-response curve. Apparent Ki values were calculated as Ki=IC50/(1+C/Kd), where C is concentration of radioligand and Kd=2 nM.
10340	2	Human Orexin 1 Receptor Radioligand Binding Studies	Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phoshpate Buffered Saline 1× with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moravek Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea, CAS Registry #288150-92-5). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-SB674042 diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
10341	1	JAK Caliper Enzyme Assay	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 M peptide substrate. The JAK and TYK2 assays contained 1 M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly overtime to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
10342	1	Binding Assay	The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determination of IC50 values. E-selectin/Ig chimera was immobilized in 96 well microtiter plates by incubation at 37° C. for 2 hours. To reduce nonspecific binding, bovine serum albumin was added to each well and incubated at room temperature for 2 hours. The plate was washed and serial dilutions of the test compounds were added to the wells in the presence of conjugates of biotinylated, sLea polyacrylamide with streptavidin/horseradish peroxidase and incubated for 2 hours at room temperature.To determine the amount of sLea bound to immobilized E-selectin after washing, the peroxidase substrate, 3,3&#8242;,5,5&#8242; tetramethylbenzidine (TMB) was added. After 3 minutes, the enzyme reaction was stopped by the addition of H3PO4, and the absorbance of light at a wavelength of 450 nm was determined. 
10343	2	Competition Binding Assay (ATP 70 uM) 	Compounds were tested using an 11-point curve with 3-fold serial dilutions. IC50 determinations were made using an ATP concentration of 70 uM. The highest concentration tested was 30 &#956;M. Test compounds were prepared in 100% DMSO at 100x final test concentration and were diluted to 1x in the assay with a final DMSO concentration of 1%.Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 min at RT to generate affinity resins for kinase assays. The ligand-bound beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, ligand-bound affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17?PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL. The assay plates were incubated at RT with shaking for 1 hr. The affinity beads were washed with wash buffer (1xPBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1xPBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at RT with shaking for 30 min. The kinase concentration in the eluates was measured by qPCR.
10343	3	Competition Binding Assay (ATP 15 uM) 	Compounds were tested using an 11-point curve with 3-fold serial dilutions. IC50 determinations were made using an ATP concentration of 15 uM. The highest concentration tested was 30 &#956;M. Test compounds were prepared in 100% DMSO at 100x final test concentration and were diluted to 1x in the assay with a final DMSO concentration of 1%.Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 min at RT to generate affinity resins for kinase assays. The ligand-bound beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, ligand-bound affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17xPBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL. The assay plates were incubated at RT with shaking for 1 hr. The affinity beads were washed with wash buffer (1?PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1?PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at RT with shaking for 30 min. The kinase concentration in the eluates was measured by qPCR.
10344	1	Biological Assay (RFMS)	Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilutions were prepared in DMSO and mixed 8 times with 20 &#956;L mixing volume. Final assay conditions were as follows: Reaction volume: 20 &#956;l Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2) Final concentrations: &#8722;100 nM hPAD4 enzyme &#8722;50 &#956;M (8-fold sub-Km) substrate peptide &#8722;0.5% DMSO Total incubation time: 65 mins at 37° C. Stop solution: 40 &#956;l 5% TCA in ACN0.25 &#956;L of compound solution was added to 10 &#956;L of 200 nM PAD4 in assay buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT). After 5 mins, 10 &#956;L of 100 &#956;M of substrate in buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT, 2 mM CaCl2)) was added and the reaction incubated for 60 mins at 37° C. The enzymatic reaction was quenched by addition of 40 &#956;l of 5% TCA in ACN (1.7% TCA final concentration) stop solution. Citrulline containing product (+1 Da mass shift) were subjected to solid phase extraction on Agilent RapidFire (RF) 300 system and detected on a coupled, triple quadrupole Agilent 6460 QQQ mass spectrometry (MS) device under application of multiple reaction monitoring (MRM) for quantitation.
10344	2	Biological Assay (AR)	Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilutions were prepared in DMSO and mixed 8 times with 20 &#956;L mixing volume. Final assay conditions were as follows: Reaction volume: 20 &#956;l Assay buffer (as aforementioned): 100 mM Tris-HCl (pH 7.6), 2 mM DTT, 1 mM CaCl2) Final concentrations: &#8722;100 nM hPAD4 enzyme &#8722;50 &#956;M (8-fold sub-Km) substrate peptide &#8722;0.5% DMSO Total incubation time: 65 mins at 37° C. Stop solution: 40 &#956;l 5% TCA in ACN0.25 &#956;L of compound solution was added to 10 &#956;L of 200 nM PAD4 in assay buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT). After 5 mins, 10 &#956;L of 100 &#956;M of substrate in buffer (100 mM Tris-HCl pH 7.6, 2 mM DTT, 2 mM CaCl2)) was added and the reaction incubated for 60 mins at 37° C. The enzymatic reaction was quenched by addition of 40 &#956;l of 5% TCA in ACN (1.7% TCA final concentration) stop solution. Arginine containing substrate were subjected to solid phase extraction on Agilent RapidFire (RF) 300 system and detected on a coupled, triple quadrupole Agilent 6460 QQQ mass spectrometry (MS) device under application of multiple reaction monitoring (MRM) for quantitation.
10345	1	Inhibitory Activity In Vitro	KLK1 inhibitory activity in vitro was determined using standard published methods. Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10345	2	Inhibitory Activity In Vitro	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods. Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10346	1	Inhibitory Activity	Solutions of the compounds of the present invention in DMSO were each aliquoted into 0.2-&#956;L portions in a 384-well polystyrene microplate produced by Corning Incorporated, and 5 &#956;L of an enzyme solution prepared with an assay buffer (100 mmol/L phosphate buffer (pH 7.4) containing 2 mmol/L DTT) and 5 &#956;L of a substrate solution (100 mmol/L phosphate buffer (pH 7.4), 30 &#956;mol/L 2-Oleoylglycerol, 10 &#956;mol/L Oleoyl-CoA) were added thereto, and the resultant was stirred and centrifuged, and incubated in a moist chamber at room temperature for 1 hour. After enzymatic reaction, 50 &#956;L of a quenching solution (containing 0.2 &#956;mol/L Diolein-d5, 0.4% formic acid, and 50% isopropanol) containing Internal Standard (IS) was added to terminate the reaction, and the resultant was sealed in a plate produced by Shimadzu GLC Ltd., and then stirred and centrifuged, and measurement was performed by using an electrospray ionization method with a RapidFire360 and Agilent 6550 Q-TOF mass spectrometer. Diolein as a reaction product (P) of 2-Oleoylglycerol as the substrate and an ammonium adduct ion of the IS were detected, and the peak intensity ratio, P/IS, was calculated from the peak heights to evaluate the inhibitory activity. Inhibitory activities with/without addition of enzyme were defined as Control (+)/Control (&#8722;), respectively, and the respective % inhibitions were defined as 0% inhibition and 100% inhibition. The inhibitory activity was calculated from formula below with TIBCO Spotfire (produced by TIBCO Software Inc.):Inhibitory activity (%)=[1&#8722;{Sample&#8722;Control(&#8722;)}/{Control(+)&#8722;Control(&#8722;)}]*100where Sample indicates a peak intensity ratio: P/IS, when the compound of the present invention was added. 
10347	1	Enzyme Inhibition Assay	Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described in A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Chan-Penebre et al., Nat Chem Biol. (2015) 11(6):432-7. In the standard PRMT5/MEP50 enzyme inhibition assay, compounds were tested in a 10-dose IC50 mode with 3- or 5-fold serial dilution, in singlet, starting at 1, 10, or 100 &#956;M. Control compound, SAH (S-(5&#8242;-Adenosyl)-L-homocysteine), was tested in 10-dose IC50 mode with 3-fold serial dilution starting at 100 &#956;M. Reactions were carried out at 1 &#956;M 3H-SAM (PerkinElmer) and 5 &#956;M histone H2A as substrates for methyl transfer. Following a 60 min incubation at 30° C., the reaction was stopped with 20% TCA. Each reaction was spotted on a filter plate (Multiscreen FB Filter plate, Millipore) and washed 5 times in PBS, after which scintillation fluid was added and signal was detected in a scintillation counter. Percent enzyme activity was calculated based on no inhibitor DMSO control as 100% activity. EC50 values were determined in GraphPad Prism 8 using the [inhibitor] vs. response Variable slope (four parameters) function.
10347	2	Enzyme Inhibition Assay	Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In this enzyme inhibition assay, compounds were tested in a 11-dose IC50 mode with 3-serial dilution, in duplicate, starting at 1, 10, or 100 &#956;M. Reactions were carried out at 1 &#956;M SAM and 0.1 &#956;M histone H4 1-21 peptide as substrates for methyl transfer. Following an 18-hour incubation at rt, the reaction was stopped with 0.5% formic acid. Products of the reaction were captured while unreacted substrates were washed away, prior to MALDI mass spectrometry detection and analysis. Percent enzyme activity was calculated based on no inhibitor DMSO control as 100% activity. EC50 values were determined in GraphPad Prism 8 using the [inhibitor] vs. response Variable slope (four parameters) function.
10348	1	FAAH, CB1, and CB2 Inhibition Assay	The ability of the compounds according to some embodiments of the present invention to inhibit a radiolabeled cannabinoid ligand, CP-55,940, [Side chain-2,3,4(N)-3H(N)]-(Perkin-Elmer Cat. # NET1051) to either the human CB1 receptor or CB2 receptor was determined according to the manufacturer&#39;s instructions in the commercially available membrane preparations from Perkin Elmer (Cat Nos. RBHCB1M400UA and RBXCB2M400UA). Briefly, pre-treatment of the glass fiber membrane of a Matrix 96 well GFC filtration microtiter plate was done in order to help reduce non-specific binding of the radioligand to the GFC membrane. This was done by adding 150 &#956;l of 0.5% polyethylimine (PEI) to each well and letting this remain in the plate for at least 4 hours before using it to terminate the binding reaction. The actual binding reaction was performed in a polypropylene (PP) round bottom 96-well microtiter plate. Briefly, 55 &#956;l of assay buffer (50 mM TRIS pH7.4, 2.5 mM EGTA, 5 mM MgCl2, 120 mM NaCl, 0.1% Fatty acid free BSA) was added to each well, followed by 20 &#956;l of a 0.4 mg/ml CB1 or CB2 membrane suspension (8 &#956;g membrane per well). To initiate the reaction, 20 &#956;l of 5 nM 3H CP-55,940 (1 nM final concentration) was added to each well. Nonspecific binding was defined in the presence of 20 &#956;M unlabeled WIN 55212 (Sigma cat. W-102). ACEA was routinely used as a positive control for both assays. The plate was shaken on an orbital plate shaker and the binding reaction proceeded until equilibrium was reached after 3 hours at room temperature. Using a Multiscreen vacuum manifold, the PEI was filtered through the GFC filter plate. The binding reaction in the PP plate was mixed by aspirating the reaction contents of each well and dispensing back into the plate. This was repeated 4 times and then 75 &#956;l of the reaction mixture was transferred to the GFC plate. This procedure could be done row by row with the use of a multichannel pipette, or all at once if using automation. Once the entire content of the PP plate was transferred to the GFC plate, the binding reactions were terminated by filtering thru the GFC plate. The filter plate was then washed by adding 100 &#956;l ice-cold wash buffer 50 mM TRIS pH 7.4, 2.5 mM EGTA, 5 mM MgCl2, 120 mM NaCl, 2% Fatty acid free BSA) to each well and filtering through. 
10349	1	Electrophysiology Assay	Patch clamp electrophysiology was used to assess the efficacy and selectivity of sodium channel blockers in dorsal root ganglion neurons. Rat neurons were isolated from the dorsal root ganglions and maintained in culture for 2 to 10 days in the presence of NGF (50 ng/ml) (culture media consisted of NeurobasalA supplemented with B27, glutamine and antibiotics). Small diameter neurons (nociceptors, 8-12 &#956;m in diameter) were visually identified and probed with fine tip glass electrodes connected to an amplifier (Axon Instruments). The voltage clamp mode was used to assess the compound&#39;s IC50 holding the cells at &#8722;60 mV. In addition, the current clamp mode was employed to test the efficacy of the compounds in blocking action potential generation in response to current injections. 
10350	1	Plasma Kallikrein Activity Assay.	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; mM CaCl2; 50 mM Tris-HCl, pH 7.8).Alter incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader (Winooski, Vt., USA).
10351	1	Enzyme Assay	The specific operation was as follows: 2.5 &#956;l of the compound diluted in a 3-fold gradient was added to a 384-well plate, followed by adding 5 &#956;L of the reaction buffer (20 mM Tris-HCl, pH 7.5; 150 mM NaCl; 10 mM MgCl2; 0.4 mg/mL BSA (Bovine Serum Albumin) and 2 mM DTT (dithiothreitol)) containing 40 nM IDH1 (R132H/R132C) and 20 &#956;M NADPH. Then, the above test mixture was incubated at 23° C. for 16 hours, and then 2.5 &#956;L of the reaction buffer containing 4 mM &#945;-KG was added to initiate the reaction. After they were incubated for 60 minutes at room temperature, 5 &#956;L of the termination mixture (0.4 U/ml Diaphorase and 20 &#956;M Resazurin) formulated with the reaction buffer was added to convert resazurin to resorufin, so as to measure the amount of the remaining NADPH. After incubating at 23° C. for 10 minutes, fluorescence values were determined through Flexstation 3 at Ex535/Em595. The enzyme activity of each compound was respectively determined at 12 concentrations, and the data were calculated using the software GraFit6.0 (Erithacus Software) to obtain the IC50 value of each compound.
10352	1	TBHPK1 IC50 Assay	Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five microliters of a solution of recombinant HPK1 diluted in HPK1 kinase assay buffer (50 mM BES [N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid], pH 7.0; 10 mM magnesium chloride; 0.01% Triton X-100; 1 mM dithiothreitol; 0.01% bovine serum albumin; 0.1 mM sodium orthovanadate) was added to the compound-containing plate and was incubated for 15 minutes at 25° C. Five microliters of a mixture of ATP (Sigma-Aldrich #A6559) and peptide substrate STK S1 (Cisbio #61ST1BLC) diluted in HPK1 kinase assay buffer was then added to start the reaction. Final concentrations were 0.15 nM for HPK1, 10 &#956;M for ATP, and 1 &#956;M for the STK S1 peptide substrate. The reaction mixture was incubated at 25° C. for 3 hours and was stopped with the addition of 10 &#956;l of an EDTA (Ethylenediaminetetraacetic acid)-containing detection buffer (Cisbio #62SDBRDF) supplemented with Europium cryptate-labeled anti-phospho-serine/threonine antibodies (Cisbio #62ST1PEJ) and XL665-labeled streptavidin (Cisbio #610SAXLG). The mixture was incubated for 16 hours at room temperature and peptide phosphorylation was measured by time-resolved fluorescence energy transfer (665 nm/620 nm) on an Envision plate reader (PerkinElmer).
10353	1	Chelation-Enhanced Fluorescence (CHEF) Assay	CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluorescence is directly proportional to the amount of phosphorylated substrate. CHEF exploits a synthetic &#945;-amino acid with a side chain bearing an 8-hydroxyquinoline derivative (sulfonamido-oxine, Sox) which, upon coordination to Mg(II), relays information on the phosphorylation state of a proximal serine, threonine or tyrosine residue in peptide-based kinase substrates. Phosphorylation of a specific peptide (Catalog # AQT0258) from AssayQuant Technologies results in an increase in fluorescence at the excitation and emission wavelengths of 360 nm Ex/485 nm Em.Examples along with DMSO (negative) and Palbociclib (positive) controls were added to 384-well plates at 100-fold their final concentrations followed by the addition of 10 nM CDK4/Cyclin D1 (LJIC-2007F1) or 10 nM CDK6/Cyclin D3 (LJIC-2009H2) for a 20 minute pre-incubation in assay buffer containing 40 mM HEPES, 1 mM Dithiothreito (DTT, 10 mM MgCl2, 1% Glycerol, 0.1% BSA. Enzyme reactions were initiated by the addition of AssayQuant Technologies peptide and ATP substrates (10 &#956;M CHEF peptide (Catalog # AQT0258), 2 mM ATP) and allowed to proceed for 2 hours followed by fluorescence read of the reaction. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
10353	2	CDK4/Cyclin D1 Mobility Shift Assay (MSA)	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide. The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween-20, 3 &#956;M 5-FAM-Dyrktide, 3 nM activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.
10353	3	CDK6/Cyclin D3 Mobility Shift Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 4 nM activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.
10354	1	Biochemical Activity Assay	The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by incubating 3 nM of each kinase together with 2 uM of a fluorescently labeled substrate peptide specific for each enzyme (Jak1 and Jak3 substrate FITC-Ahx-KKSRGDYMTMQIG-NH2, Jak2 and Tyk2 substrate 5(6)-Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK) in 50 mM Hepes pH 7.5, 0.02% Tween 20, 0.02% BSA, 1 mM DTT, 10 uM Na3VO4, 10 mM -Glycerolphosphate, specific concentrations of MgCl2 (Jak1 12 mM, Jak2 and Tyk2 9 mM, Jak3 1.5 mM) and 45 uM ATP for 60 min at 30&deg; C. in the presence or absence of compound diluted in DMSO. Kinase reaction were terminated by adding 15 ul STOP buffer (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35.
10355	1	Fluorescent Polarization Binding (FP Binding) Assay	Test compounds were serially diluted in DMSO at 100 fold final concentrations in the assay (1% DMSO final). In each well of a 384-well Plate were dispensed 0.1 &#956;L of compound solution (or DMSO for controls) followed by 5 &#956;L of GST-hRIPK1 (8-327) at twice the final concentrations in assay buffer (50 mM HEPES pH 7.5, 10 mM NaCl, 50 mM MgCl2, 0.02% CHAPS, 0.5 mM DTT and 0.01% Pluronic F127). For negative control the enzyme addition was replaced by assay buffer only.After addition of 5 &#956;L of fluorescentlabeled ligand at twice the final concentrations in assay buffer, the plate was incubated at RT for 30 mM. At the end, the binding was measured as FP value with the Envision (PerkinElmer) plate reader using filter for an excitation &#955;=531 nm FP and an emission &#955;=595 nm FP (S & P-pol). GST-hRIPK1 (8-327) enzyme was produced via Baculovirus expression.
10356	1	Caliper Assay	A selection of compounds was screened against a selected panel of kinases based on single point inhibitory ability to determine absolute inhibitory activity, leading to selectivity measurements. The assay utilized was identical to that of the single point inhibitory activity determination (MSA) but run in dose response. A solution of 4× inhibitor (5 &#956;L), 4× substrate/ATP Metal solution (5 &#956;L), and 2× Kinase solution (10 &#956;L) was prepared with assay buffer (20 mM HEPES, 0.01% Triton X-100, 2 mM DTT, pH 7.5) and mixed/incubated in 384 well plates for 1 or 5 hours depending on the kinase, at room temperature. A solution of termination buffer (QuickScout Screening assist MSA; Carna Biosciences) (60 &#956;L) was added to each well. The entire reaction mixture was then applied to a LabChip3000 system (Caliper Life Science) and the product and substrate peptide peaks were separated and quantified. Evaluation of kinase activity was then determined based on ratio of calculated peak heights of product (P) and substrate (S) peptides (P/(P+S)).
10357	1	n Vitro CDK7 (20 nM)  Assay	Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Compounds with potencies approaching the limit of detection of the assay (IC50 < 10 nM) were further assessed in a more sensitive fluorescence end-point assay. Absorbance kinetic assay (20 nM CDK7/Cyclin H/MAT-1 complex}CDK7 complex catalyzes the ATP-dependent phosphorylation of a peptide substrate CDK7/9-tide that is derived from RNA Pol II to produce phosphorylated peptide and ADP. The kinase reaction product ADP was converted to lactate and NAD+ in the presence of phosphoenol pyruvate (PEP), NADH and coupling enzymes lactate dehydrogenase (LDH) and pyruvate kinase (PK). CDK7 complex catalytic activity was measured by following the absorbance intensity continuously at 340 nm that corresponds with the depletion of NADH.Compound potencies were measured by a 12-point dose response manner under the assay conditions of 300 &#956;M CDK7/9 tide (KMpeptide =140.5 ± 18.5 &#956;M), 500&#956;M ATP (KMATP = 27.8 ± 4.1 &#956;M), 500 &#956;M PEP, 100 &#956;M NADH, 0.6-lunit PK/0.9-1.4 unit and 20 nM CDK7/Cyclin H/MAT-1 complex in a buffer containing 20 mM Tris, pH 7.4, 10 mM MgCF and 0.004% Triton X-100. Absorbance at 340 nm was followed kinetically at an interval of 2 minutes for 8 hours.The assay was carried out with 100 &#956;l reaction volume per well in a 384-well plate that was pre-spotted nanoliter volume of compounds by LabCyte Echo 555. Compound dilution plates were made by 2-fold (could vary upon necessity) dilution in DMSO for 11 concentrations plus a DMSO control of uninhibited reaction. 2x substrate and coupling reagent mixture was added to the assay plate followed by an addition of an equal volume of 40 nM CDK7/Cyclin H/MAT-1 complex. After mixing, assay plates were spun at 2000 rpm for 3 minutes and then transferred to the plate reader for data collection.
10357	2	n Vitro CDK7 (5 nM)  Assay	Inhibition potencies of compounds were studied using an absorbance kinetic assay as described below. Absorbance kinetic assay (5 nM CDK7/Cyclin H/MAT-1 complex}CDK7 complex catalyzes the ATP-dependent phosphorylation of a peptide substrate CDK7/9-tide that is derived from RNA Pol II to produce phosphorylated peptide and ADP. The kinase reaction product ADP was converted to lactate and NAD+ in the presence of phosphoenol pyruvate (PEP), NADH and coupling enzymes lactate dehydrogenase (LDH) and pyruvate kinase (PK). CDK7 complex catalytic activity was measured by following the absorbance intensity continuously at 340 nm that corresponds with the depletion of NADH.Compound potencies were measured by a 12-point dose response manner under the assay conditions of 300 &#956;M CDK7/9 tide (KMpeptide =140.5 ± 18.5 &#956;M), 500&#956;M ATP (KMATP = 27.8 ± 4.1 &#956;M), 500 &#956;M PEP, 100 &#956;M NADH, 0.6-lunit PK/0.9-1.4 unit and 20 nM CDK7/Cyclin H/MAT-1 complex in a buffer containing 20 mM Tris, pH 7.4, 10 mM MgCF and 0.004% Triton X-100. Absorbance at 340 nm was followed kinetically at an interval of 2 minutes for 8 hours.The assay was carried out with 100 &#956;l reaction volume per well in a 384-well plate that was pre-spotted nanoliter volume of compounds by LabCyte Echo 555. Compound dilution plates were made by 2-fold (could vary upon necessity) dilution in DMSO for 11 concentrations plus a DMSO control of uninhibited reaction. 2x substrate and coupling reagent mixture was added to the assay plate followed by an addition of an equal volume of 40 nM CDK7/Cyclin H/MAT-1 complex. After mixing, assay plates were spun at 2000 rpm for 3 minutes and then transferred to the plate reader for data collection.
10358	1	DHODH enzymatic assay	 To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5mM CoQ6, and 1mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
10359	1	DHODH enzymatic assay	 To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5mM CoQ6, and 1mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
10360	1	DHODH enzymatic assay	 To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5mM CoQ6, and 1mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
10362	1	DGAT2 enzymatic activity assay	DGAT2 activity was determined by measuring the amount of enzymatic product 13Ci8-triolein (13C-l,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in ABgene 384-well assay plates in a final volume of 25 pL at rt. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 pM of di olein, 5 &#956;M of 13C oleoyl-CoA and 8 ng/pL of DGAT2 membrane. 
10365	1	Human Indoleamine 2,3-dioxygenasae (IDO) Enzyme Assay	Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine (See: Sono, M., et al., 1980, J. Biol. Chem. 255, 1339-1345).
10366	1	Enzyme Activity: Determination of IC50 	The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 &#956;M ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 &#956;M. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 &#956;M to 0.00063 &#956;M. In a 384-well microplate, the test inhibitor was incubated with the metallo-&#946;-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
10367	1	EED-H3K27Me3 Peptide Competition Binding Assay by AlphaScreen	To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of twelve concentrations. Then compounds at each concentration (75 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. 8 uL of solutions containing 30 nM EED (1-441)-His protein and 15 nM biotin-H3K27Me3 (19-33) peptide in the buffer (25 mM HEPES, pH 8, 0.02% Tween-20, 0.5% BSA) were added to the wells and then incubated with compound for 20 min. AlphaScreen detection beads mix was prepared immediately before use by mixing nickel chelate acceptor beads and streptavidin donor beads in a 1:1 ratio (Perkin Elmer, Product No. 6760619C/M/R) into the buffer described above. Then 4 &#956;L of detection beads mix was added to the plate and incubate in the dark at the rt for 1 h. The final concentration of donor and acceptor beads was 10 &#956;g/mL for each. Plates were read on EnVision (PerkinElmer) using the AlphaScreen setting adapted for optimal signal detection with a 615 nm filter, after sample excitation at 680 nm. The emission signal at 615 nm was used to quantify compounds inhibition. AlphaScreen signals were normalized based on the reading coming from the positive (maximum signal control) and negative controls (minimum signal control) to give percentage of activities left. The data were then fit to a dose response equation using the program Helios (Novartis) to get the IC50 values. Helios is a Novartis in-house assay data analysis software using the methods described by Normolle, D. P., Statistics in Medicine, 12:2025-2042 (1993); Formenko, I. et al, Computer Methods and Programs in Biomedicine, 82, 31-37 (2006); Sebaugh, J. L., Pharmaceutical Statistics, 10:128-134 (2011); Kelly, C. et al., Biometrics, 46(4):1071-1085 (1990); and Kahm, M. et al., Journal of Statistical Software, 33(7): (2010) (grofit: Fitting Biological Growth Curves with R, pages 1-21, available at http://www.jstatsoft.org/).Each compound was counterscreened to determine if it interfered with the AlphaScreen beads. Compounds were diluted as described in the preceding section, and the assay was performed by adding 12 &#956;L of 10 nM biotin-miniPEG-His6 peptide in the above buffer and incubating for 20 min at rt prior to addition of the beads to 10 &#956;g/mL each. The plates were then incubated for 1 h at rt in dark before being read on EnVison.
10367	2	EED LC-MS Assay	Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrations. Then the test compounds at each concentration (120 nL of each) were transferred by Mosquito into a 384-well Perkin Elmer ProxiPlate 384 plus plates. Solutions (6 &#956;L) of 24 nM the wild type PRC2 (wtPRC2) complex and 2 &#956;M SAM in reaction buffer (20 mM Tris, pH 8.0, 0.1% BSA, 0.01% Triton, 0.5 mM DTT) were added to the wells that were then incubated with the test compound for 20 min. A 6 &#956;L solution of 3 &#956;M of the peptide substrate H3K27Me0 (histone H3[21-44]-biotin) in reaction buffer was added to initiate each reaction. The final components in the reaction solution include 12 nM wtPRC2 complex, 1 &#956;M SAM, and 1.5 &#956;M H3K27me0 peptide with varying concentration of the compounds. A positive control consisted of the enzyme, 1 &#956;M SAM and 1.5 &#956;M substrate in the absence of the test compound, and a negative control consisted of 1 &#956;M SAM and 1.5 &#956;M substrate only. Each reaction was incubated at rt for 120 min, then stopped by addition of 3 &#956;L per of quench solution (2.5% TFA with 320 nM d4-SAH). The reaction mixture was centrifuged (Eppendorf centrifuge 5810, Rotor A-4-62) for 2 min at 2000 rpm and read on an API 4000 triple quadrupole mass spec with Turbulon Spray (Applied Biosystem) coupled with Prominence UFLC (Shimadzu). The levels of SAH production were then normalized based on the values coming from the positive and negative controls to give percent enzyme activities. The data were then fit to a dose response equation using the program Helios to get the IC50 values of the test compound.
10367	3	ELISA (H3K27 Methylation) Assay	Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrations. Then the compounds were added to G401 cell cultured in 384-well plate at 1:500 dilution to obtain the highest concentration of 20 &#956;M. The cells were further cultured for 48 h before ELISA procedure.Histone extraction: Cells, in 384-well plate, were washed with PBS (10×PBS buffer (80 g NaCl (Sigma, S3014), 2 g KCl (Sigma, 60128), 14.4 g Na2HPO4 (Sigma, S5136), 2.4 g KH2PO4 (Sigma, P9791) to 1 L water, pH to 7.4) and lysed with the addition of lysis buffer (0.4N HCl; 45 &#956;L per well). The plate was gently agitated at 4° C. for 30 min. The cell lysate was neutralized with neutralization buffer (0.5 M sodium phosphate dibasic, pH 12.5, 1 mM DTT; 36 &#956;L per well). The plate was agitated to ensure the lysates were well mixed prior to the ELISA protocol.ELISA protocol: Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 &#956;L per well with PBS. The plate was sealed, centrifuged at 2,000 rpm for 2 min and incubated at 4&#8242;C for about 16 h. The plate was washed with TBST buffer (1×TBS (10×TBS: 24.2 g Tris (Sigma, T6066), 80 g NaCl (Sigma, S3014) to 1 L of water and adjust pH to 7.6 with HCl) with 0.1% Tween-20). Blocking buffer (TBST, 5% BSA; 50 &#956;L per well) was added and the plate was incubated for 1 h at rt. The blocking buffer was removed and primary antibody was added (30 &#956;L per well). The following dilutions were performed with blocking buffer: for anti-H3K27me3 antibody (Cell Signaling Technology, #9733), dilution was 1:1000; for anti-H3K27me2 antibody (Cell Signaling Technology, #9288), dilution was 1:100; for anti-H3 antibody (Abcam, Cat #24834), dilution was 1:1000. The primary antibody was incubated in the plate at rt for 1 h. The wells were washed with TBST and incubated with secondary antibody for 1 h at rt. For secondary antibodies, the following dilutions were carried out with blocking buffer: anti-rabbit antibody (Jackson ImmunoResearch, #111-035-003), dilution was 1:2000; and anti-mouse antibody (Cell signaling technology, #7076), dilution was 1:1000. After 1 h of incubation at rt, the wells were washed with TBST. ECL substrate (Pierce, #34080) was added at 30 &#956;L per well and the plates were centrifuged at 2,000 rpm for 2 min. The signal was read using a PerkinElmer Envision Reader. The H3K27 methylation readouts were normalized using H3 signal and then percentage inhibition was calculated against the samples treated with DMSO. The data were then fit to a dose response curve using the program Helios to get the IC50 values of the test compound.
10368	1	IC50 Assay	IC50 measurements were conducted by BPS Biosciences (Table 1) or by Nanosyn (Table 1A) with an established fluorescence assay. 
10369	1	Biological Assay	HEK-Gqi5 cells stably expressing human CCR6 were cultured in DMEM high glucose, 10% FBS, 1% PSA, 400 ug/ml geneticin and 50 ug/ml hygromycin. Appropriate positive control chemokine (MIP3&#945;) was used as the positive control agonist for screening compound-induced calcium activity assayed on the FLIPRTetra. The drug plates were prepared in 384-well microplates using the EP3 and the MultiPROBE robotic liquid handling systems. Compounds disclosed herein were tested for CCR6 activity.
10370	1	FGFR1 Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the invention against FGFR1 (FGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR1 protein (3.12 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was then initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10370	2	FGFR3 Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 1 mM DTT and 2 mM MnCl2. The inhibitory activities of compounds of the invention against FGFR3 (FGFR3 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR3 protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (Ala6, Glu2, Lys5, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10370	3	PDGFRalpha Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the invention against PDGFR&#945; (PDGFR&#945; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#945; protein (12.5 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10370	4	PDGFRbeta Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the invention against PDGFR&#946; (PDGFR&#946; Kinase Enzyme System: Promega), were evaluated by mixing the PDGFR&#946; protein (6.25 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (25 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10370	5	VEGFR1 Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 1 mM DTT and 2 mM MnCl2. The inhibitory activities of compounds of the invention against VEGFR1 (VEGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR1 protein (12.5 ng/mL, 2 &#956;L), substrate (IGFR1 Rtide, 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 90 min at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10370	6	VEGFR2 Enzyme Inhibition	Assay was performed in buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 1 mM DTT. The inhibitory activities of compounds of the invention against VEGFR2 (VEGFR2 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR2 protein (1.56 ng/mL, 2 &#956;L), substrate (Poly (4:1 Glu4, Tyr1), 100 ng/mL, 2 &#956;L) with the test compound (2 &#956;L at either 3 &#956;M, 0.67 &#956;M, 0.15 &#956;M, 0.033 &#956;M, 0.0073 &#956;M, 0.0016 &#956;M, 0.0036 &#956;M or 0.00008 &#956;M) for 90 min at 25° C. The kinase reaction was initiated by adding ATP (50 &#956;M, 2 &#956;L) and the mixture was incubated for 1 hr at 25° C. ADP-Glo reagent was added for 40 min (8 &#956;L) then development reagent (16 &#956;L) was added for 40 min prior to detection in a microplate reader (EnVision Multilabel Reader, Perkin Elmer).
10371	1	Inhibition of Recombinant TrxR1 and GR	Small molecule inhibition of recombinant thioredoxin reductase 1 (TrxR1) and gluthathione reductase (GR) was examined in 96-well plate format. 30 nM TrxR1 was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compound (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 2 mM DTNB was added to each well and the change in O.D. at 412 nm was followed. Percent activity was determined using DMSO vehicle and no TrxR1 (blank) controls. 2 nM GR was incubated in the presence of 250 &#956;M NADPH, 0.1 mg/ml BSA, and various concentrations of compounds (1% DMSO final) in 50 mM Tris (pH 7.5) and 2 mM EDTA buffer for 15 minutes. Following the incubation period, 1 mM GSSG was added to each well and the change in O.D. at 340 nm was followed. Percent activity was determined using DMSO vehicle and no GR (blank) controls.
10372	1	Inhibition assay for BTK	To determine IC50 of a compound against a kinase, a series of concentrations of the compound were tested for the inhibition. IC50 was calculated by plotting the concentration of compound vs the percentage of inhibition in treated wells using GraphPad Prism 5.
10373	1	IL-1 Secretion Assa	Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers&#39; instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodium Pyruvate+0.05 mM Beta-mercaptoethanol (1000× stock)+Pen-Strep). Cells were differentiated in bulk with 0.5 &#956;M phorbol 12-myristate 13-acetate (PMA; Sigma #P8139) for 3 hours, media was exchanged, and cells were plated at 50,000 cells per well in a 384-well flat-bottom cell culture plates (Greiner, #781986), and allowed to differentiate overnight. Compound in a 1:3.16 serial dilution series in DMSO was added 1:100 to the cells and incubated for 1 hour. The NLRP3 inflammasome was activated with the addition of 15 &#956;M (final concentration) Nigericin (Enzo Life Sciences, #BML-CA421-0005), and cells were incubated for 3 hours. 10 &#956;L supernatant was removed, and IL-1p levels were monitored using an HTRF assay (CisBio, #621L1PEC) according to manufacturers&#39; instructions. Viability and pyroptosis was monitored with the addition of PrestoBlue cell viability reagent (Life Technologies, #A13261) directly to the cell culture plate.
10373	2	TNF-alpha Secretion Assay	Monocytic THP-1 cells were maintained according to providers&#39; instructions in RPMI media as described above. Undifferentiated cells were plated at 50,000 cells per well in a 384-well flat-bottom cell culture plates (Greiner, #781986), and allowed to rest overnight. Experimental compounds were prepared and added as described above. TNF-&#945; secretion was triggered by the addition of either 1 &#956;g/mL LPS (Sigma, #L4391) or 100 ng/mL Pam3CSK4 (Invivogen, #tlrl-pms) depending on the experiment, and cells were incubated for 3 hours. 10 &#956;L supernatant was removed, and TNF-&#945; levels were monitored using an HTRF assay (CisBio, #62TNFPEC) according to manufacturers&#39; instructions.
10375	1	Cell-Free Axl Kinase Inhibitory Activity	A kinase dilution solution containing 170 ng/ml AXL (the 464th to 885th amino acids of the intracellular domain of human AXL expressed as a fusion protein with glutathione transferase in a baculovirus expression system and purified by glutathione Sepharose chromatography; Carna Biosciences, Inc., catalog No. 08-107) was prepared using a kinase reaction buffer solution (100 mM HEPES (pH 7.4), 0.003% Brij-35, 0.004% Tween-20, 1 mM DTT, and 10 mM MgCl2) and added at 19 &#956;l/well to a 384-well plate.Next, each test compound was diluted with DMSO, and this dilution solution was added at 1 &#956;l/well to the plate.After preincubation at room temperature for 30 minutes, a solution containing a substrate peptide (FL-Peptide 30 (5FAM-KKKKEEIYFFF-CONH2), Caliper Life Sciences, catalog No. 760430) and ATP at 1.5 &#956;M and 10 &#956;M, respectively, was prepared and added at 5 &#956;l/well to the plate to start kinase reaction. The plate was incubated at 28° C. for 1.5 hours, and the reaction was terminated by the addition of a termination buffer solution (100 mM HEPES (pH 7.4), 0.015% Brij-35, 40 mM EDTA, and 0.1% Coating Reagent 3) at 40 &#956;l/well.The substrate peptide and the phosphorylated peptide in the reaction mixture were separated and quantified using EZ Reader II (Caliper Life Sciences).The kinase reaction was evaluated on the basis of a product ratio (P/(P+S)) calculated from the peak height (S) of the substrate peptide and the peak height (P) of the phosphorylated peptide.The rate of inhibition (Inhibition) was determined according to the following expression (automatically calculated using the software of the EZ Reader II system). 
10375	2	Cell-Free Mer Kinase Inhibitory Activity	A kinase dilution solution containing 20 ng/ml Mer (the 528th to 999th amino acids of the intracellular domain of human MER expressed as a fusion protein with glutathione transferase in a baculovirus expression system and purified by glutathione Sepharose chromatography and ion-exchange chromatography; Carna Biosciences, Inc., catalog No. 08-108) was prepared using a kinase reaction buffer solution (100 mM HEPES (pH 7.4), 0.003% Brij-35, 0.004% Tween-20, 1 mM DTT, and 10 mM MgCl2) and added at 19 &#956;l/well to a 384-well plate.Next, each test compound was diluted with DMSO, and this dilution solution was added at 1 &#956;l/well to the plate.After preincubation at room temperature for 20 minutes, a solution containing a substrate peptide (FL-Peptide 27 (5FAM-EFPIYDFLPAKKK-CONH2), Caliper Life Sciences, catalog No. 760424) and ATP at 5 mM was prepared and added at 5 &#956;l/well to the plate to start kinase reaction. The plate was incubated at 28° C. for 45 minutes, and the reaction was terminated by the addition of a termination buffer solution (100 mM HEPES (pH 7.4), 0.015% Brij-35, 40 mM EDTA, and 0.1% Coating Reagent 3) at 40 &#956;l/well.The substrate peptide and the phosphorylated peptide in the reaction mixture were separated and quantified using EZ Reader II (Caliper Life Sciences).The kinase reaction was evaluated on the basis of a product ratio (P/(P+S)) calculated from the peak height (S) of the substrate peptide and the peak height (P) of the phosphorylated peptide.The rate of inhibition (Inhibition) was determined according to the following expression (automatically calculated using the software of the EZ Reader II system). 
10375	3	Intracellular Axl Phosphorylation Inhibitory Activity	A phosphorylated Axl (hereinafter, referred to as pAxl) inhibition test was conducted using a human non-small cell lung cancer-derived cell line NCI-H1299.The NCI-H1299 cells were suspended in a medium (RPMI1640 medium containing 10% fetal bovine serum), then inoculated at 15000 cells/100 &#956;l/well to each 96-well multiwall plate, and cultured at 37° C. for 1 day in the presence of 5% CO2. On the next day, the medium was discarded, and a medium was added at 100 &#956;l/well to the plate, followed by culture at 37° C. for 1 day in the presence of 5% CO2. Each test compound was dissolved in DMSO and diluted with an FBS-free medium to prepare a sample solution (DMSO concentration: 2%). A medium or a medium supplemented with the sample was added at 25 &#956;l/well (DMSO concentration: 0.4%) to the plate and incubated at 37° C. for 1 hour in the presence of 5% CO2.GAS6 (R&D Systems Inc., model: 885-GS) was diluted into 6 &#956;g/ml with an FBS-free medium, then added at 25 &#956;l/well to the plate, and incubated at 37° C. for 10 minutes in the presence of 5% CO2 after stirring.The supernatant was discarded, and a solution of a 37% formalin solution diluted to 4% with phosphate-buffered saline (PBS) (hereinafter, a 4% formalin solution) was added at 0.1 ml/well to the plate, which was then left standing at room temperature for 10 minutes. Next, the 4% formalin solution was discarded, and a solution of Triton X-100 diluted to 0.1% with PBS (hereinafter, referred to as a wash buffer) was added at 0.2 ml/well to the plate and discarded by decantation. An excess of water was removed on paper towel.Subsequently, 10% NaN3 and 110 &#956;l of H2O2 were added to 10.7 mL of a wash buffer (hereinafter, referred to as a quenching buffer), and this quenching buffer was added at 0.1 ml/well to the plate, which was then left standing at room temperature for 15 minutes.The quenching buffer was discarded, and a wash buffer was added at 0.2 ml/well to the plate and discarded by decantation. An excess of water was removed on a paper towel. Skimmed milk (WAKO #198-10605) was added (final concentration 5%) to a wash buffer (hereinafter, referred to as a blocking buffer), and this blocking buffer was added at 0.25 ml/well to the plate, which was then left standing at room temperature for 1 hour.The blocking buffer was discarded, and Anti-phospho-Axl (Y702) (D12B2) rabbit monoclonal antibody (Cell Signaling Technology, Inc., catalog No. 5724) was reacted at a concentration of 1/1000 with the plate, which was then left standing overnight at 4° C. Each well was repetitively washed with a wash buffer five times, and Peroxidase AffiniPure Donkey Anti-Rabbit IgG (H+L) (Jackson ImmunoResearch Inc., catalog No. 711-035-152) was reacted at a concentration of 1/2000 with the plate at room temperature for 1 hour. A similar washing operation was carried out, and Super Signal ELISA pico chemiluminescent substrate (Thermo Fisher Scientific, Inc., catalog No. 37069) was added at 0.05 ml/well to the plate and gently stirred, followed by incubation for 20 minutes. Then, developed light was measured using ARVO sx (PerkinElmer Inc.) to measure the pAxl (Y702) level.
10376	1	In Vitro Acyltransferase Assays	ALCAT1 enzymatic activity was determined by measuring the conversion of monolysocardiolipin (MLCL) to cardiolipin or lysophosphatidylglycerol (LPG) to phosphatidylglycerol (PG) in an enzymatic reaction mixture that contained 50 mm Tris/HCl, pH 7.0, 100 &#956;m lysophospholipids, 25 &#956;m [14C]acyl-CoA (50 mCi/mmol, American Radiolabeled Chemicals, Inc), and membrane fraction (0.5-2.5 &#956;g) in a total volume of 200 &#956;l. The reaction was incubated at room temperature for 30 min. The lipids were extracted will chloroform, dried, and separated by thin layer chromatography (TLC) with chloroform:hexane:methanol:acetic acid (50:30:10:5, v/v) or chloroform:methanol:water (65:25:4, v/v). After separation, TLC plates were exposed to a Phosphorlmager screen to visualize the radiolabeled products with a Molecular Dynamics Typhoon Scanner (Sunnyvale, Calif.). In some experiments, NBD-CoA was used at 100 &#956;M to replace the [14C]acyl-CoA in the enzymatic reaction. All quantitative data were expressed as mean±S.E. Statistical analyses for differences between two groups were carried out using a Student&#39;s t test.
10377	1	Expression and Purification of Active Kinases	Full length CDPK1 was PCR amplified from a T. gondii RH cDNA library generated using the SMART cDNA synthesis kit (Clontech). The primers contained restriction sites that were used to directionally clone the PCR product, NdeI to XhoI, into the pET-22b(+) vector, in frame with a C-terminal hexahistidine tag. Single mutation of the codon corresponding to glycine 128 was achieved using the QuikChange II Site-Directed Mutagenesis Kit (Agilent Technologies), with specific primers designed according to manufacturer instructions. Plasmids were transformed into BL21(DE3)V2RpAcYc-LIC+LamP E. coli, which express the LamP phosphatase, as described previously. Following overnight growth in Terrific Broth at 37° C., cells were diluted 1:50 in fresh medium and cultured for 3 h at 37° C., then cooled to 15° C., induced by addition of 1 mM IPTG, and cultured overnight. Cells were lysed in CelLyticB solution (Sigma Aldrich), and proteins purified using HIS-select Nickel Affinity Gel following manufacturers instructions (Sigma-Aldrich). Purified proteins were dialyzed (50 mM Tris-HCl, pH 7.5, 150 mM NaCl, 0.125% Chelex 100) and stored in 20% glycerol at &#8722;80° C. Protein purity and concentration were determined by SDS-PAGE followed by staining with SYPRO Ruby (Invitrogen).Kinase assays were conducted using a peptide-based ELISA based on the syntide-2 peptide (Calbiochem). Syntide-2 peptide (10 mg/ml) was used to coat 96-well plates by overnight incubation in carbonate coating buffer (pH 9.6) at 4° C. Following washing in Tris tween (50 mM Tris-HCl, pH 7.5, 0.2% Tween20), plates were blocked with 3% BSA in Tris-tween for 2 h at room temperature, and further washing steps were conducted with Tris-tween. Kinase reactions were conducted at 30° C. for 20 min in kinase buffer (20 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM DTT, 2.5 mM CaCl2, 0.1 mM EGTA, 0.005% Tween20) containing appropriate amounts of ATP (Km for each enzyme) and enzyme dilutions (see below). Phosphorylated syntide peptides were detected with mAb MS-6E6 (MBL Intl. Corp.), followed by peroxidase-conjugated goat-anti-mouse IgG, developed with the substrate 3,3&#8242;,5,5&#8242;-Tetramethylbenzidine (TMB) and detected by absorbance at 450 nm. The activity of human calmodulin dependent kinase II alpha (aCaMKII) was tested using the CaM Kinase II Assay CycLex kit (MBL Intl. Corp.).
10378	1	Inhibition of the CD73 Enzyme In Vitro	For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test compounds were incubated with recombinant CD73 and AMP in reaction buffer (25 mM Tris HCl pH7.5, 5 mM MgCl2, 50 mM NaCl, 0.25 mM DTT, 0.005% Triton X-100). The final reaction volume was 25 &#956;L and the final concentrations of recombinant CD73 and AMP were 0.5 nM and 50 &#956;M, respectively. Reactions were allowed to proceed for 30 minutes at room temperature before the addition of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776). After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer. The concentration of inorganic phosphate was determined using a phosphate standard curve.
10378	2	Biological Activity of Disclosed Compounds In Vitro	The ability of compounds to inhibit endogenous, cell-bound CD73 enzyme activity was demonstrated using SK-MEL-28 cells, which express CD73 on their surface. The day before the experiment, 5000 cells were plated per well in a 96-well plate. Cells were washed twice with 200 &#956;L reaction buffer (20 mM HEPES, pH 7.4, 125 mM NaCl, 1 mM KCl, 2 mM MgCl2, 10 mM glucose) to remove residual inorganic phosphate. After washing, assays contained serial dilutions of test compounds and 100 &#956;M of AMP in a total volume of 200 &#956;L reaction buffer, with a final DMSO concentration &#8804;0.5%. After 30 minutes at room temperature, supernatant was removed from the cells. A volume of 100 &#956;L Malachite Green (Cell Signaling Technology, Cat. No. 12776) was added to 25 &#956;L of supernatant. After 5 minutes at room temperature, absorbance at 630 nm was determined on a microplate spectrophotometer. The concentration of inorganic phosphate was determined using a phosphate standard curve to determine IC50.
10379	1	Bak Peptide Binding Assay	Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-one, Monroe, N.C., USA). The assay was run using either a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) or a fluorescein isothiocyanate-labeled BH3 peptide derived from Bim (FITC-AHx-EARIAQELRRIGDEFNETYTR NH2) that were purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 15 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). The Bim based assay was run with 1 nM FITC-Bim peptide and 1.5 nM recombinant Mcl-1 (residues 172-327) added to assay buffer (20 mM TRIS pH 7.5, 50 mM NaCl, 3 mM DTT, 0.01% CHAPS). For selectivity assays, 40 nM Bcl-2 (residues 1-207A96T,G11OR, &#916;35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer.Compounds are diluted in DMSO in a 10-point, 3-fold serial dilution scheme. For the FITC -BAK assay 2.5 uL compound is added to 47.5 &#956;L of assay buffer containing FITC-Bak and protein, for a final DMSO concentration of 5% and a top concentration of 20 &#956;M. A FITC-Bak peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. For the FITC -Bim assay, compound is added to 40 uL of assay buffer containing protein, 15 minutes prior to addition of 10 &#956;L of the FITC-Bim peptide, for a final DMSO concentration of 0.165% and a top concentration of 200 nM. A FITC-Bim peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. The plate was mixed and incubated for 90 minutes at room temperature. Anisotropy is measured at excitation wavelength 480 nm and emission wavelength 535 nm using an EnVision Multi-label plate reader (PerkinElmer, Wellesley, Mass., USA) or a BioTek Cytation 3 (BioTek, Winooski, Vt., USA). Fluorescence anisotropy is plotted against compound concentration to generate an IC50 (inhibitor concentration at which 50% of bound peptide is displaced) by fitting the data to a 4-parameter logistic model using XLFit software (Guildford, Surrey, UK).
10380	1	Biochemical Assay Protocol	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5, 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 50 in assay buffer, with histone H2A (5 &#956;M final) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 5 nM and the compounds were allowed to preincubate for 15 to 20 minutes at room temperature. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer) to final concentration of 1 M. Following a 60 minutes incubation at 30° C., the reaction was stopped by adding 100 &#956;L of 20% TCA. Each reaction was spotted onto filter plate (MultiScreen FB Filter Plate, Millipore), and washed 5 times with PBS buffer, Scintillation fluid was added to the filter plate and read in a scintillation counter. IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
10381	1	Coactivation of TR-FRET Farnesoid X Receptor Protein	Purchasing Invitrogen PV4833 Kit.Step 1, the compound was weighed and dissolved in 100% DMSO, the highest concentration is 3000 &#956;M, and then diluted with DMSO by 3-fold serial dilution to get 10 concentrations.Step 2, the above formulated compound solutions were diluted 100 times with the buffer provided in the kit, which were mixed respectively and 10 &#956;L of which were added into a 384 well plate in turn.Step 3, FXR recombinant nucleo receptor protein was diluted with a buffer to formulate 4× concentration, and 5 &#956;L of which was added into the above 384 well plate containing the compound.Step 4, Fluorescein-SRC2-2 and Tb anti-GST antibody were diluted with a buffer respectively, both concentration are 4×, after the two reagents were mixed together, 10 &#956;L of which was added into the 384 well plate described in step 3.At last, the solution in the 384 well plate was blend by centrifugation, and then incubated at room temperature for 1 hour. And then the detection was performed at 520, 495 and 337 nm wavelengths by TR-FRET endpoint method, ECso values were calculated using the detection values of ER=520 nm/495 nm wavelength.
10382	1	In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis Oocytes	Xenopus laevis oocytes were selected as described elsewhere by way of illustration [Decher et al., FEBS Lett. 492, 84-89 (2001)]. Subsequently, the oocytes were injected with 0.5-5 ng of a cRNA solution coding for TASK-1 or TASK-3. For the electrophysiological analysis of the channel proteins expressed in the oocytes, the two-electrode voltage clamp technique [St hmer, Methods Enzymol. 207, 319-339 (1992)] was used. The measurements were conducted as described [Decher et al., FEBS Lett. 492, 84-89 (2001)] at room temperature (21-22° C.) using a Turbo TEC 10CD amplifier (NPI), recorded at 2 kHz and filtered with 0.4 kHz. Substance administration was performed using a gravitation-driven perfusion system. Here, the oocyte is located in a measuring chamber and exposed to the solvent stream of 10 ml/min. The level in the measuring chamber is monitored and regulated by sucking off the solution using a peristaltic pump.
10382	2	Inhibition of Recombinant TASK-1 and TASK-3 In Vitro	The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were conducted using stably transfected CHO cells. The compounds of the invention were tested here with administration of 40 mM of potassium chloride in the presence of a voltage-sensitive dye using the method described in detail in the following references [Whiteaker et al., Validation of FLIPR membrane potential dye for high-throughput screening of potassium channel modulators, J. Biomol. Screen. 6 (5), 305-312 (2001); Molecular Devices FLIPR Application Note: Measuring membrane potential using the FLIPR membrane potential assay kit on Fluorometric Imaging Plate Reader (FLIPR ) systems, http://www.moleculardevices.com/reagents-supplies/assay-kits/ion-channels/flipr-membrane-potential-assay-kits]. The activity of the test substances was determined as their ability to inhibit a depolarization induced in the recombinant cells by 40 mM potassium chloride. The concentration which can block half of this depolarization is referred to as IC50.
10383	1	Vps34 Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. By the use of Dotmatics software compound concentration versus percent inhibition was fitted to generate IC50 values.
10384	1	TTK Enzyme Assay	The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP assay (Molecular Devices, Sunnyvale, Calif., U.S.A.). Compounds were dissolved in 100% dimethylsulfoxide (DMSO). At the day of the experiment, the compound stock was diluted in 3.16 fold steps in 100% DMSO, to obtain a 10-point dilution series, followed by further dilution in IMAP reaction buffer, which consists of 10 mM Tris-HCl, pH 7.5, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3 and 1 mM freshly prepared dithiothreitol. Compound solution was mixed with an equal volume of full-length TTK enzyme in IMAP reaction buffer. After pre-incubation of 1 hour in the dark at room temperature, fluorescein-labeled MBP-derived substrate peptide (Molecular Devices) was added and ATP to start the reaction. Final enzyme concentration was 3.9 nM, final substrate concentration 50 nM, and final ATP concentration was 5 &#956;M. The reaction was allowed to proceed for 2 hours at room temperature in the dark. The reaction was stopped by quenching with IMAP progressive binding solution according to the protocol of the manufacturer (Molecular Devices). Fluorescein polarization was measured on an Envision multimode reader (Perkin Elmer, Waltham, Mass., USA). Dose-response curves were fitted to a four-parameter logarithmic equation in XLfit 5 (ID Business Solutions, Ltd., Guildford, U.K.).
10385	1	Ras GTP Binding Domain Inhibition Assay	The following method was developed as specific assay for KRas G12D mutant protein.Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as a His-tagged protein. Purified His-KRas G12D protein was diluted in buffer-I to a final concentration of 3-10 &#956;g/ml. 200 &#956;l of the diluted His-KRas G12D protein was added to a nickel coated 96 well plate and incubated overnight at 4° C. The next day, wells were washed 3× in 200 &#956;l of Buffer-I. Then 200 &#956;l of Buffer-I were added to each well in the presence of 1% DMSO. Tested compounds were added to the protein-coated wells at a concentration of 20 &#956;M, and incubated for 3 hours at room temperature. While performing IC50 measurements a serial dilution of all tested concentrations was prepared.Then 22 &#956;l of Cy3-GTP or Cy5-GTP was added to each well. The labeled GTP was incubated for 45 min. at room temperature. Following GTP incubation, wells were washed 3× in Buffer-I, and 200 &#956;l of Buffer-I were added to each well. Following washes, the amount of bound labeled-GTP was measured with an Eppendorf AF2200 plate reader.By substituting KRas G12D mutant protein with KRas G12C mutant, KRas wild type, KRas Q61H mutant, KRas G12D/Q61H double mutant or KRas G12C/Q61H double mutant under the assay conditions described above, KRas G12C mutant KRas wild type, KRas Q61H mutant, KRas G12D/Q61H double mutant and KRas G12C/Q61H double mutant inhibition, respectively, were each determined.
10386	1	Biochemical Assay	Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation with the Labcyte Echo 55x. 150 nL of compound solution are transferred per well in 11 concentrations in duplicates with serial 1:5 dilutions. The final DMSO concentration in the assay is 1%.5 nM (final assay concentration) CDK8/cyclin C, 2 nM (final assay concentration) Biotin anti-His Tag Antibody and 2 nM (final assay concentration) LanthaScreen Eu-Streptavidin are mixed in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, 1 mM DTT) prior to use and kept at room temperature.The assay runs on a fully automated robotic system. 10 &#956;L of CDK8/cyclin C, Biotin anti-His Tag Antibody and LanthaScreen Eu-Streptavidin mix are dispensed into columns 1-24. 5 &#956;L of 10 nM (final assay concentration) Kinase Tracer 236 solution in assay buffer are added to columns 1-23, 5 &#956;L of assay buffer into column 24. Plates are kept at room temperature in a darkened incubator. After 60 min incubation time the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the TR-FRET specs from PerkinElmer.
10387	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
10388	1	Competitive Radioligand Binding Assay 2	The affinity of test compounds at sigma-1 and sigma-2 receptors was also determined by displacement of different known labeled sigma-2 or sigma-1 ligands. Filtration assays were conducted according the previously published procedure (Xu, et al., 2005). Test compounds were dissolved in N,N-Dimethylformamide (DMF), dimethyl sulfoxide (DMSO) or ethanol and then diluted in 50 mM Tris-HCl pH 7.4 buffer containing 150 mM NaCl and 100 mM EDTA. Membrane homogenates were made from guinea pig brain for sigma-1 binding assay and rat liver for sigma-2 binding assay. Membrane homogenates were diluted with 50 mM Tris-HCl buffer, pH 8.0 and incubated at 25° C. in a total volume of 150 uL in 96 well plates with the radioligand and test compounds with concentrations ranging from 0.1 nM to 10 uM. After incubation was completed, the reactions were terminated by the addition of 150 uL of ice-cold wash buffer (10 mM Tris HCl, 150 mM NaCl, pH 7.4) using a 96 channel transfer pipette (Fisher Scientific, Pittsburgh, Pa.) and the samples harvested and filtered rapidly through 96 well fiber glass filter plate (Millipore, Billerica, Mass.) that had been presoaked with 100 uL of 50 mM Tris-HCl buffer. Each filter was washed four times with 200 uL of ice-cold wash buffer (10 mM Tris-HCl, 150 mM NaCl, pH 7.4). A Wallac 1450 MicroBeta liquid scintillation counter (Perkin Elmer, Boston, Mass.) was used to quantitate the bound radioactivity.
10389	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET)	Jarid1A: The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of Jarid1A was determined in 384-well plate format under the following reaction conditions: 1 nM Jarid1A, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH 7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of plate, followed by the addition of 2 &#956;l of 3 nM Jarid1A to initiate the reaction. The reaction mixture was incubated at rt for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
10389	2	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET)	Jarid1B: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384 well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-mono- or di-methylated histone H3 lysine 4 (H3K4me1-2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at rt for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me1-2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
10389	3	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET)	JMJD2C: The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at room temperature for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at rt. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
10390	1	Radioligand Binding Assay	Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2 and similar assay conditions. For both assays, nonspecific binding was determined in the presence of 10 &#956;M unlabeled compound. Competition experiments consisted of addition of 20 &#956;L of assay buffer (50 mM Tris, pH 7.4, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL of fatty acid free BSA) containing test compound (concentrations ranging from 1 &#956;M to 100 &#956;M), 25 &#956;L of radioligand (1 nM final assay concentration for [3H]CP55,904 and [3H]WIN55,212-2), and 50 &#956;L of membranes (20 &#956;g/mL final protein for both assays). Incubations were conducted for 1 h at room temperature, assay plates were filtered under reduced pressure over GF/B filters, washed with assay buffer and dried overnight in a 50° C. oven. Then, 25 &#956;L of BetaScint scintillation cocktail was added to each well, and plates were read in a Packard TopCount scintillation counter.
10390	2	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	Table B: HTRF assay was carried out using a two-step protocol essentially according to the kit manufacturer&#39;s instructions, in 20 &#956;L total volume per well in 384-well plate format (ProxiPlates; PerkinElmer, Fremont, Calif.; catalog #6008280). To each of the experimental wells was transferred 1500 recombinant CHO-K1 cells in 5 &#956;L phosphate buffered saline containing calcium chloride and magnesium chloride (PBS+; Invitrogen, Carlsbad, Calif.; catalog #14040) followed by test compound in 5 &#956;L assay buffer (PBS+ supplemented with 0.2% BSA, 4 &#956;M forskolin and 1 mM IBMX (Sigma-Aldrich, St. Louis, Mo.; catalog #s A8806, F6886 and I5879 respectively). The plate was then incubated at room temperature for 1 h. To each well was then added 5 &#956;L cAMP-d2 conjugate in lysis buffer and 5 &#956;L Cryptate conjugate in lysis buffer according to the kit manufacturer&#39;s instructions. The plate was then further incubated at room temperature for 1 h, after which the assay plate was read.
10391	1	Inhibitory Activity Assay	1. Materials, Kits and EquipmentsSodium L-ascorbate (Cat: A4034-100G, SIGMA)4-(dimethylamino)benzaldehyde (Cat: 156477-25g, SIGMA)Trichloroacetic acid (Cat: T0699-100ML, SIGMA)L-Tryptophan (Cat: T8941-25G, SIGMA)Methylene blue (Cat: M9140-25G, SIGMA)Potassium dihydrogen phosphate (Cat: 10017618, Sinopharm Chemical Reagent)Disodium hydrogen phosphate (Cat: 20040618, Sinopharm Chemical Reagent)Constant temperature water tank (Cat: DK-8D, Shanghai Jinghong Experimental Equipment)Multifunctional microplate reader (Cat: M5, Molecular Devices)96-well reaction plate (Cat: 3590, costar)IDO1 protease (commercially available)Desktop Microplate Reader: SpectraMax M5 Microplate Reader (Molecular Devices)Test compounds: self-madePositive control agent: INCB024360 (commercially available)2. Reagent Preparation100 mM PBS:100 mM disodium hydrogen phosphate and 100 mM potassium dihydrogen phosphate mixed in a ratio of 3:5, pH 6.5IDO1 assay buffer:100 mM PBS containing 400 &#956;M L-tryptophan, 20 mM ascorbate, 20 &#956;M methylene blue and 1000 U/ml catalase, pH 6.530% trichloroacetic acidddH2 O solution of 30% trichloroacetic acidEhrlich reagent1% (w/v) diluted solution of 4-(dimethylamino) benzaldehyde compoundAll compounds were dissolved with DMSO. During the assay, each compound was diluted to a concentration as needed. The compound of each concentration was added to multi-wells, and the final concentration of DMSO was controlled at 1%.3. Test Methoda.) the reaction mixture was prepared by adding 50 nM IDO1 and the desired concentration of the test compound to 100 &#956;L of IDO1 assay buffer. IDO1 and assay buffer need to be preheated to 37° C.b.) The mixture was reacted in a constant temperature water tank at 37° C. for 30 minutes.c.) 50 &#956;L of 30% trichloroacetic acid was added.d.) The above mixture was reacted in a constant temperature water tank at 52° C. for 30 minutes.e.) The reaction mixture was centrifuged at 12000 g for 10 minutes at room temperature.f.) 100 &#956;L of the obtained supernatant and 100 &#956;L of Ehrlich reagent were mixed.g.) the absorbance at 480 nm was measured using an M5 microplate reader.4. Data AnalysisInhibition rate=(ODpostive&#8722;ODsample)/(ODpositive&#8722;ODnegative)*100%5. Results and Discussion 
10392	1	In Vitro Competitive Activity-Based Protein Profiling Assay	Proteomes (mouse brain membrane fraction or cell lysates for mouse assays; human prefrontal cortex or cell membrane fractions for human assays) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L 4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.43u software.
10393	1	Biological Assay	Twenty four hours before measurements, the expression of the NMDA receptors in the stable cell line is induced with Tet-On inducible system in the presence of a non-selective NMDA receptor blocker. On the day of the experiment, cell culture media is carefully washed and the cells are loaded with Calcium 5 Dye Kit (Molecular Devices) in dye loading buffer containing 137 mM NaCl, 4 mM KCl, 2 mM CaCl2), 0.5 mM MgCl2(standard assay) or 1.5 mM MgCl2 (HTS assay), 10 mM HEPES and 5 mM D-glucose; pH 7.4. After 1 h incubation at the room temperature, the dye is washed away with the assay buffer (137 mM NaCl (standard assay) or 150 mM (HTS assay), 4 mM KCl (standard assay) or 3 mM (HTS assay), 2 mM CaCl2), 0.01 mM EDTA, 10 mM HEPES and 5 mM D-glucose; pH 7.4) In the FLIPR TETRA reader, various concentrations of the test compounds are added to the cells for 5 min while fluorescence is monitored to detect potential agonist activity.
10394	1	Biochemical Assay 	50 mM Tris pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 2 mM DTT, 5 nM LRRK2, 134 &#956;M ATP, 60 minute reaction time, 23° C. reaction temperature, and 10 &#956;L total reaction volume.Detection Reaction Conditions:1×TR-FRET dilution buffer, 10 mM EDTA, 2 nM antibody, 23° C. reaction temperature, and 10 &#956;L total reaction volume.Compound solutions were prepared by initially diluting to 1 mM with DMSO. 35 &#956;L of reference compound solution, 35 &#956;L of test compound solution, and 35 &#956;L HPE were successively added to the source plate (384-well assay plate, Labcyte). The plates were centrifuged at 2500 rpm for 1 minute and sealed in foil. POD was used to perform a 3.162 fold serial dilution and 100 nL of reference compound solution, test compound solution, HPE and ZPE were transferred to assay plates. The assay plate was centrifuged at 2500 rpm for 1 minute, and sealed with foil.
10395	1	Human c-Fms Protein Kinase Assay (gamma-33P-ATP Format)	c-fms(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKSPGEYVNIEFG, 10 mM MgAcetate and [&#947;-33P-ATP] (specific activity approx. 500 cpm/pmol, concentration as required). The reaction was initiated by the addition of the MgATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
10395	2	Human, Dog and Rat c-Fms Enzyme Assay (Fluorescence Immunoassay Format)	In this assay, recombinant human, dog or rat c-fms catalyzed the phosphorylation of the FMS peptide substrate, SYEGNSYTFIDPTQ, with the phosphorylated product detected by a fluorescence immunoassay. The c-fms assay buffer consisted of 25 mM HEPES, pH 7.0, 5 mM MgCl2, 1 mM DTT and 0.01% Brj-35. 5 &#956;l of 3× of the test compound(s) in assay buffer containing 1% DMSO were added to the wells of a 384-well NBS plate, at concentrations of 1 &#956;M down to 0.00002 &#956;M (applying a 1:3 dilution scheme). c-fms activity was assayed in the presence of 300 &#956;M SYEGNSYTFIDPTQ, 1 mM ATP and human, dog or rat c-fms in a total volume of 15 &#956;l. The reaction was initiated with ATP. The assay plates were sealed with aluminum sealing tape and incubated at room temperature for 2 h. At the end of the incubation, 5 &#956;l of 4× detection reagent were added to each well (Antibody Beacon tyrosine kinase assay kit; the 4× detection reagent consisted of 100 nM Oregon Green 488 ligand and 200 nM anti-phosphotyrosine antibody and was prepared just prior to use). The plates were centrifuged at 1000×g for 1 min. Fluorescence was measured after 10 min on a Safire II reader at excitation/emission of 492/517 nm. RFU values were converted to micromolar phosphopeptide using a SYEGNSpYTFIDPTQ standard curve. IC50 values were calculated using GraphPad Prism 5.
10396	1	In Vitro JAK Kinase Assay	The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). ICsos of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.). See Table 1 for data related to compounds of the examples.
10397	1	Biochemical Assay	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.002% Tween20, 1 mM TCEP, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 30 &#956;l in assay buffer, with 300 nM histone H4 based AcH4-23 (Anaspec: AS-65002) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 2.5 nM and the compounds were allowed to preincubate for 20 minutes at 37° C. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer: NET155001MC) to final concentration of 1 &#956;M. Following a 30 minutes incubation at 37° C., the reaction was stopped by adding 25 &#956;L of 8M Guanidine HCl. Prepare streptavidin YSI SPA beads (Perkinelmer: RPNQ0012) at 0.3 mg/mL in assay buffer. To each reaction, add 150 &#956;L of SPA beads suspension, and incubated while shaking at room temperature for 30 minutes. The plate was centrifuged at 100×g for 30 second before reading in a scintillation counter. IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software. See Table 2, below (PRMT5 IC50).
10398	1	Enzyme Assay	The assay buffer is prepared to give a final concentration of 50 mM H2NaPO3 HNa2PO3, 0.01% bovine serum albumin and 0.01% Triton X-100 in water, at pH 7. Compounds to be tested are diluted in pure dimethyl sulfoxide (DMSO) using ten point concentration response curves. Maximal compound concentration in the reaction mixture is 30 or 1 &#956;M. Compounds at the appropriate concentration are pre-incubated with OGA enzyme for 30 minutes before the reaction is started by the addition of substrate. The final enzyme concentration is 3.24 nM or 0.5 nM, for the 30 or 1 &#956;M maximal compound concentration, respectively. Reactions are allowed to proceed for 60 minutes at room temperature. Then, without stopping the reaction, fluorescence is read. IC50 values are calculated by plotting the normalized data vs. log of the compound and fitting the data using a four parameter logistic equation.
10399	1	Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. 
10400	1	LMPTP Primary Screening Protocol	A listing of materials is provided:        Item, source, catalog no.        LMPTP-A Enzyme Stock Solution (4.22 mg/ml or 206.8 &#956;M), SBMRI Protein Facility,        N/A        OMFP, Sigma, M2629-100 MG        Bis-Tris pH 6.0, Fisher Sci, BP301-100        Triton-X 100, Sigma, T9284        DTT, Sigma, D9779        Mol. Grade Water, Mediatech, Inc., 46-000-CM        1536-well black High base opaque bottom plate, Nexus Biosystems, 00019120Final assay conditions are:        0.625 nM LMPTP-A Enzyme        40 &#956;M OMFP        50 mM Bis-Tris pH 6.0        1 mM DTT        0.01% Triton-X 100        20 &#956;M test compound        3% DMSO (2% from substrate and 1% from compounds)        6 &#956;L reaction volume        50 minutes incubation at room tempAssay Procedure        1. Prepare Reagents as described in section F. Recipe.        2. Using LabCyte Echo, transfer 60 nL from 2 mM test compound source plate into assay plate Col. 5-48 (final concentration of test compounds is 20 &#956;M). 60 nL of DMSO should be transferred to col. 1-4 for positive and negative control wells.        3. Spin plates at 1000 rpm for 1 minute in centrifuge.        4. Using the Beckman Coulter Bioraptr, add 3 &#956;L/well of control buffer to columns 1 and 2.        5. Using the Bioraptr, add 3 &#956;L/well of enzyme solution to col. 3-48.        6. Using the Bioraptr, add 3 &#956;L/well of substrate solution to col. 1-48.        7. Spin plates at 1000 rpm for 1 minute in centrifuge.        8. Incubate plates in the dark at room temperature for 50 minutes.        9. Read plates on PerkinElmer Viewlux using a FI protocol.
10401	1	Mobility Shift Assay 	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for activated CDK4/Cyclin D1 (2007 E1/2008+PO4) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 195 minutes by the addition of 50 &#956;L of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
10401	2	Mobility Shift Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 4 nM (active sites) activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for activated CDK6/Cyclin D3 (LJIC-2009G1/2010+PO4) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 95 minutes by the addition of 50 &#956;L of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
10402	1	Radiolabel Binding Studies for Serotonin 5-HT7 Receptors	A stock concentration of 5 nM [3H]-5-Hydroxytryptamine ([3H]-5HT) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 g of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.
10403	1	TYK2 JH2 Domain Binding Assay	The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a >10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. Assays were incubated with shaking for 1 hour at room temperature. Then the beads were pelleted and washed with wash buffer (lx PBS, 0.05% Tween 20) to remove displaced kinase and test compound. The washed based were re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. qPCR reactions were assembled by adding 2.5 &#956;L of kinase eluate to 7.5 &#956;L of qPCR master mix containing 0.15 &#956;M amplicon primers and 0.15 &#956;M amplicon probe. The qPCR protocol consisted of a 10 minute hot start at 95° C., followed by 35 cycles of 95° C. for 15 seconds, 60° C. for 1 minute.
10404	1	Enzymatic Activity Assay	Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 &#956;M. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. SAH (S-(5-adenosyl)-L-homocysteine) was used as a positive control for assay validation.An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8)), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 &#956;l volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 uM S-Adenosyl-L-[methyl-3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter. 
10405	1	HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 &#956;L. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-lite Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement. The % binding data versus the log of the inhibitor concentration was fitted to a one-site competitive binding model (GraphPad Prism version 7.02) where the ligand constant=12.5 nM and the ligand Kd=1.85 nM. 
10406	1	Protein Kinase C beta 2 Assay	A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of assay buffer containing 50 mM HEPES, pH 7.4, 5 nM PKC, 23 units of pyruvate kinase, 33 units of lactate dehydrogenase, 0.15 mM peptide, 0.1 mM ATP, 1 mM DTT, 4 mM PEP, 8 mM MgCl2, 0.3 mM NADH, 60 mM CaCl2, 10 mg/mL PS, 50 ng/mL PMA, 7.5% DMSO and from about 10,000 nM to 0.169 nM compound inhibitor. Stock solutions of 3-sn-phosphatidyl-L-serine (PS) and phorbol-12-myristate-13-acetate (PMA) were sonicated for 30 seconds just prior to addition to assay buffer and assays were initiated by the addition of 100 &#956;M ATP.
10407	1	Biochemical Assay	Compounds were solubilized, and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5, 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 50 in assay buffer, with histone H2A (5 &#956;M final) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 5 nM and the compounds were allowed to preincubate for 15 to 20 minutes at room temperature. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer) to final concentration of 1 &#956;M. Following a 60 minutes incubation at 30° C., the reaction was stopped by adding 100 &#956;L of 20% TCA. Each reaction was spotted onto filter plate (MultiScreen FB Filter Plate, Millipore), and washed 5 times with PBS buffer, Scintillation fluid was added to the filter plate and read in a scintillation counter. IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
10408	1	MTase Filter-Binding Assay (FBA)	The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described previously. (37) For hRNMT and SARS CoV-2 nsp14, assays were carried out in reaction mixture [40 mM Tris-HCl (pH 8.0), 1 mM DTT, 1 mM MgCl2, 2 &#956;M SAM, and 0.1 &#956;M 3H-SAM (Perkin Elmer)] in the presence of 0.7 &#956;M GpppAC4 synthetic RNA and human RNA N7 MTase (hRNMT) (50 nM) and SARS-CoV-2 nsp14 (50 nM). For SARS CoV-2 nsp10/nsp16 (1.2 &#956;M/0.2 &#956;M) the reaction was performed in the presence of 0.7 &#956;M mGpppAC4 synthetic RNA. For NS5 MTase (500 nM) the reaction buffer does not contain MgCl2 and the reaction was performed in the presence of 0.7 &#956;M mGpppAC4 synthetic RNA. For vaccinia virus capping enzyme (D1&#150;D12) (41 U), the commercial buffer (New England Biolabs) at 1× concentration was used and the reaction was performed in the presence of 0.7 &#956;M GpppAC4 synthetic RNA. For vaccinia virus VP39 (24 U) the commercial buffer (New England Biolabs) at 1× concentration was used and the reaction was performed in the presence of 0.7 &#956;M mGpppAC4 synthetic RNA.
10408	2	Antiviral Activity Assay	Ec50 of SARS-CoV-infected VeroE6 cells.
10409	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinant human Mcl-1 (C-terminally 6 His tagged Mcl-1 containing residues 171-327) was generated at Amgen Inc (Thousand Oaks, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (San Jose, Calif.). The TR-FRET assay was conducted in a 384-well white OptiPlate (PerkinElmer, Waltham, Mass.) in a total volume of 40 L. The reaction mixture contained 0.1 nM Mcl-1(171-327), 0.05 nM biotin-Bim(51-76), 0.05 nM LANCE Eu-W1024 Anti-6 His (PerkinElmer), 0.072 nM Streptavidin-Xlent (Cisbio, Bedford, Mass.), and serially diluted test compounds in the binding buffer of 20 mM Hepes, pH 7.5, 150 mM NaCl, 0.016 mM Brij 35, and 1 mM dithiothreitol. Test compounds were pre-incubated with Mcl-1(171-327) and biotin-Bim (51-76) for 60 min before addition of the detection mixture (LANCE Eu-W1024 Anti-6 His and Streptavidin-Xlent). The reaction plates were further incubated overnight and then were read on an Envision multimode reader (PerkinElmer). Fluorescence signals were measured at 620 nm (40-nm bandwidth) and 665 nm (7.5-nm bandwidth) with a 60 s delay after excitation at 320 nm (75-nm bandwidth). The signal ratio at 665/620 nm corresponded to the Mcl-1/Bim interaction and was used in all data analyses. The IC50 values of test compounds were determined from duplicate data by analyzing competition curves using a four-parameter sigmoidal model in GraphPad Prism (GraphPad Software, S.
10410	1	Enzyme Assay	PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM PHGDH and 0.2 mg/mL diaphorase. PHGDH substrate buffer contained 0.3 mM NAD 1.25 mM glutamate, 0.1 mM 3-phosphoglycerate, 0.2 mM resazurin, 1 &#956;M PSAT1, and 1 &#956;M PSPH. qHTS was performed in 1536-well plates dispensed with a BioRAPTR FRD. Each well contained equal volumes of substrate buffer and assay buffer. Plates were read at 0 minutes and 20 minutes at room temperature with a ViewLux uHTS Microplate Imager (PerkinElmer). Follow-up assays were performed in black 384-well plates (Greiner) in 20 &#956;L of enzyme buffer to which compounds were added in dose-response with an HP D300 digital dispenser (Hewlett-Packard), followed by addition of 20 &#956;L of substrate buffer. Plates were incubated at room temperature (25° C.) and read at 0 and 20 minutes with a Spectramax M5 plate reader (Molecular Devices) in fluorescence intensity mode with a &#955;ex=550 nm and &#955;em=600 nm (emission cutoff=590 nm).
10411	1	Enzymatic Assay	The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, and cofactors are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. At the end of the incubation, the reaction is quenched by the addition of an SDS-containing buffer. Substrate and product are separated and quantified electrophoretically using the microfluidic-based LabChip 3000 Drug Discovery System from Caliper Life Sciences. The peptide substrate used in this assay is FAM-TSRHK(AC)KL-CONH2 (FAM is carboxyfluorescein). Peptide should be >98% purity by Capillary Electrophoresis. 1. To a well of a 384-well plate, add 5 &#956;L of 2× enzyme buffer. Using Labcyte Echo 550, add 100 nl compound. Enzyme and compound may be pre-incubated at this time if desired. 2. Add 5 &#956;L of 2× substrate buffer. 3. Incubate plate at 25° C. for 17 hours. 4. Terminate reaction by adding 40 &#956;L of 1.55× stop buffer. 5. Create job on a Caliper LabChip 3000 Drug Discovery System. 6. Load the plate and start electrophoresis using blue laser (480 nm) for excitation and green CCD (520 nm) for detection (CCD2). Reaction time=17 hours; Reaction temperature=25° C.
10412	1	Enzymatic Assay	The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, and cofactors are combined in a well of a microtiter plate and incubated for 3 hours at 25° C. At the end of the incubation, the reaction is quenched by the addition of an SDS-containing buffer. Substrate and product are separated and quantified electrophoretically using the microfluidic-based LabChip 3000 Drug Discovery System from Caliper Life Sciences. The peptide substrate used in this assay is FAM-TSRHK(AC)KL-CONH2 (FAM is carboxyfluorescein). Peptide should be >98% purity by Capillary Electrophoresis. 1. To a well of a 384-well plate, add 5 &#956;L of 2× enzyme buffer. Using Labcyte Echo 550, add 100 nl compound. Enzyme and compound may be pre-incubated at this time if desired. 2. Add 5 &#956;L of 2× substrate buffer. 3. Incubate plate at 25° C. for 17 hours. 4. Terminate reaction by adding 40 &#956;L of 1.55× stop buffer. 5. Create job on a Caliper LabChip 3000 Drug Discovery System. 6. Load the plate and start electrophoresis using blue laser (480 nm) for excitation and green CCD (520 nm) for detection (CCD2). Reaction time=17 hours; Reaction temperature=25° C.
10413	1	PI3K-&#947; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10413	2	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10414	1	Kinase Assay	In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphorylation ratio of FAM labelled peptide (Peptide 18 for CDK2/CycA2, Peptide 8 for CDK4/CycD3 and CDK6/cycD3). CDK2/CycA2 and CDK6/cycD3 were assayed under buffer conditions in the presence of 50 mM HEPES (pH 7.5), 10 mM MgCl2, 0.0015% Brij-35, and 2 mM dithiothreitol, CDK4/CycD3 with buffer condition of 20 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% Triton X-100, and 2 mM dithiothreitol. Prepare compounds to 50× of the final desired highest inhibitor concentration by 100% DMSO and serial dilution in 3-fold for total of 10 concentrations. For each isoform, dosage of enzyme and substrate are CDK2/CycA2 12 nM, ATP Km 39 &#956;M; CDK4/CycD3 10 nM, ATP Km 221 &#956;M; CDK6/cycD3 15 nM, ATP Km 800 &#956;M. After assay for 60 min, 180 min, 60 min respectively at 28° C., reactions were terminated with stop solution (50 mM EDTA, 0.015% Brij-35, 0.2% Coating Reagent #3 and 100 mM HEPES (pH 7.5)). Collect conversion on Caliper EZ Reader. 
10414	2	Inhibitory Assay	The inhibitory effect of compounds on HDAC-1, HDAC-2 and HDAC-6 function was determined in vitro using an optimized homogenous assay performed in 384-well plate format. In this assay, recombinant, full-length HDAC-1, HDAC-2 or HDAC-6 protein (BPS Biosciences) was incubated with Ac-peptide-AMC with concentration in Km plot. Reactions were performed in Tris-based assay buffer and followed for fluorogenic release of 7-amino-4-methylcoumarin from substrate upon deacetylase and trypsin enzymatic activity. Fluorescence measurements were obtained using a multilabel plate reader (Synergy MX with excitation at 355 nm and emission at 460 nm). Data were analyzed on a plate-by-plate basis for the linear range of fluorescence over time.
10415	1	PI(4)K enzymatic Assay	 Baculovirus expression and purification of C. parvum phosphatidylinositol 4-kinase: The full-length coding sequence of C. parvum PI(4)K (cgd8_4500, 1114 amino acids) was codon-optimized for baculovirus expression, synthesized and cloned into pFastBac-HTb (Invitrogen 10584-027) in frame with the amino-terminal polyhistidine tag using the BamHI and HindIII restriction sites. Recombinant pFastBacHTb-CpPI(4)K bacmid clones were generated by site-specific transposition in E. coli DH10Bac (Invitrogen 10361-012). The bacmid sequence was confirmed by direct DNA sequencing to confirm a lack of mutations across the whole gene. The subsequent steps for bacmid isolation, transfection and selection of the recombinant viruses were performed according to the manufacturer s protocol (Bac-to-Bac system # 10359, Invitrogen).SF9 cells, cultured in SF-900 III serum-free medium, were transfected with recombinant baculovirus at 1/200 (v/v) and incubated at 27^°C for 72^h. The pellets were collected after centrifugation and re-suspended in cell lysis buffer (20^mM Tris-HCl, pH^7.5, 300^mM NaCl, 1mM DTT, 20mM imidazole, 0.01% Triton X-100 and 1×^complete protease inhibitor cocktail without EDTA (Roche Diagnostics 04693116001)). The cell suspension was lysed by sonication and the clarified supernatant was loaded onto a 1^ml HisTrap affinity column (GE Healthcare) pre-equilibrated with buffer A (20^mM Tris-HCl, pH^7.5, 300^mM NaCl, 1mM DTT, 20mM Imidazole, and 1×^complete protease inhibitor cocktail without EDTA). The column was washed with buffer B (buffer A containing 45 mM imidazole) and the bound protein of interest was eluted with buffer C (buffer A with 90^mM imidazole). The fractions containing CpPI(4)K were pooled, concentrated using Amicon Ultra-15 and purified by a gel-filtration column (Hi-Load 26/60 Superdex 200, GE Healthcare) equilibrated with 20^mM Tris, pH^7.5, 300^mM NaCl, 1^mM DTT and 1×^protease inhibitor cocktail without EDTA. The concentrations of the purified protein (Mw 132.39 kda) was determined by using the protein molar extinction coefficient (&#949;280^nm = 133,810^M&#8722;1^cm&#8722;1). Aliquots were flash frozen in liquid nitrogen and immediately stored at &#8722;80^°C.PI(4)K enzymatic Assay: The CpPI(4)K enzymatic assay was performed as described earlier with a some modifications (McNamara et al., 2013). Briefly, L-&#945;-phosphatidylinositol (Avanti Polar Lipid 840046), dissolved in 3% n-octylglucoside (Roche Diagnostics 10634425001), was used as the lipid substrate for the PI(4)K activity assay. CpPI(4)K was assayed using Transcreener ADP2 FP detection kit (BellBrook 3010) in a black, solid 384-well plate (Corning 3575). The final assay volume was 10^&#956;l and contained 3^nM of the respective CpPI(4)K construct in 10^mM Tris, pH^7.5, 1^mM DTT, 3^&#956;M ATP, 5^mM Mn2+, 0.05% Triton X-100 and 10^&#956;M phosphatidylinositol/octylglucoside. The enzyme reaction was performed for 50 minutes at room temperature and was stopped by adding 10^&#956;l of detection mix containing 1×^stop buffer (50mM HEPES, pH7.5, 400mM NaCl, 20mM EDTA, and 0.02% Brij-35), 2^nM AMP Alexa Fluor 633 tracer, and 20^&#956;g^ml&#8722;1 ADP antibody. Fluorescence polarization measurements were performed on the Infinite M1000 plate reader (Tecan) with &#955;ex = 635^nm and &#955;em = 680^nm (20-nm bandwidth). IC50 values were calculated using Graphpad Prism software. 
10416	1	Kat6a Activity Assay	Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FRET) assay which measures acetylation of a synthetic, biotinylated Histone-H4-derived peptide by the enzyme.Recombinant human His-tagged Kat6a protein (amino acids 194-810), was purified inhouse from Baculovirus- infected insect cells (Sf9). Histone H4 peptide (amino acids 1-24, SGRGKGGKGLGKGGAKRHRK-VLRD-K(Btn)-amide), which was used as substrate, was synthesized by Biosyntan GmbH, Berlin, Germany. Acetyl Coenzyme A was purchased from Sigma-Aldrich (#A-2056).Kat6a was incubated for 60 mins at 22°C in the presence of different concentrations of test substances (0 pM, and within the range 0.01 - 20 pM) in assay buffer [25 mM Tris/HCI pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCI, 220 nM H4 peptide and 600 nM Acetyl Coenzyme A],The reaction was stopped by addition of Detection Solution (25mM HEPES pH 7.5, 0.1 % BSA, 22nM SAXL665 (Cisbio #610SAXLE), 100pM Anacardic Acid (Enzo #ALX-270-381), 1 nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823) and 0.5 nM AntiRabbit IgG Eu (Perkin Elmer #AD0083).
10416	2	Kat6b Activity Assay	Kat6b inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FRET) assay which measures acetylation of a synthetic, biotinylated Histone-H4-derived peptide by the enzyme.Recombinant human GST-tagged Kat6b protein (431-end, N-terminal GST-tag), purified from Baculovirus- infected insect cells (Sf9), was purchased from SignalChem (#K315-381 BG). Histone H4 peptide (amino acids 1-24, SGRGKGGKGLGKGGAKRHRK-VLRD-K(Btn)-amide), which was used as substrate, was synthesized by Biosyntan GmbH, Berlin, Germany. Acetyl Coenzym A was purchased from Sigma-Aldrich (#A-2056).Kat6b was incubated for 30 mins at 22°C in the presence of different concentrations of test substances (0 pM, and within the range 0.01 - 20 pM) in assay buffer [25 mM Tris/HCI pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCI, 500 nM H4 peptide and 600 nM Acetyl Coenzyme A],The reaction was stopped by addition of Detection Solution (25mM HEPES pH 7.5, 0.1 % BSA, 22nM SAXL665 (Cisbio #610SAXLE), 100pM Anacardic Acid (Enzo #ALX-270-381), 1 nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823), 0.5 nM AntiRabbit IgG Eu (Perkin Elmer #AD0083).The fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of acetylated peptide.The resulting data (ratio) were normalized, taking 0% inhibition as the mean value of control measurements where all reagents were included. In this case 50 nl DMSO were used instead of compounds. A 100% inhibition corresponded to the mean value of control measurements where all reagents except enzyme were included. IC50 values were determined by regression analysis based on a 4 parameter equation (minimum, maximum, ICM, Hill; Y = Max + (Min - Max) / (1 + (X/ICso) Hill) using the Screener Software (Genedata).
10417	1	Kat6a Activity Assay	 Kat6a inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FRET) assay which measures acetylation of a synthetic, biotinylated Histone-H4-derived peptide by the enzyme.Recombinant human His-tagged Kat6a protein (amino acids 194-810), was purified in-house from Baculovirus- infected insect cells (Sf9). Histone H4 peptide (amino acids 1-24, SGRGKGGKGLGKGGAKRHRK-VLRD-K(Btn)-amide), which was used as substrate, was synthesized by Biosyntan GmbH, Berlin, Germany. Acetyl Coenzyme A was purchased from Sigma-Aldrich (#A-2056).Kat6a was incubated for 60 mins at 22°C in the presence of different concentrations of test substances (0 &#956;M, and within the range 0.01 - 20 &#956;M) in assay buffer [25 mM Tris/HCl pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCl, 220 nM H4 peptide and 600 nM Acetyl Coenzyme A].The reaction was stopped by addition of Detection Solution (25mM HEPES pH 7.5, 0.1% BSA, 22nM SAXL665 (Cisbio #610SAXLE), 100&#956;M Anacardic Acid (Enzo #ALX-270-381), 1nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823) and 0.5 nM Anti-Rabbit IgG Eu (Perkin Elmer #AD0083).
10417	2	Kat6b Activity Assay	 Kat6b inhibitory activities of the compounds described in the present invention were quantified using a Fluorescence Resonance Energy Transfer (TR-FRET) assay which measures acetylation of a synthetic, biotinylated Histone-H4-derived peptide by the enzyme.Recombinant human GST-tagged Kat6b protein (431-end, N-terminal GST-tag), purified from Baculovirus- infected insect cells (Sf9), was purchased from SignalChem (#K315-381BG). Histone H4 peptide (amino acids 1-24, SGRGKGGKGLGKGGAKRHRK-VLRD-K(Btn)-amide), which was used as substrate, was synthesized by Biosyntan GmbH, Berlin, Germany. Acetyl Coenzyme A was purchased from Sigma-Aldrich (#A-2056). Kat6b was incubated for 30 mins at 22°C in the presence of different concentrations of test substances (0 &#956;M, and within the range 0.01 - 20 &#956;M) in assay buffer [25 mM Tris/HCl pH 8, 1 mM EGTA, 2.5 mM Glutathion, 0.02% Chicken Albumin, 0.05% Pluronic F127, 25 mM NaCl, 500 nM H4 peptide and 600 nM Acetyl Coenzyme A].The reaction was stopped by addition of Detection Solution (25mM HEPES pH 7.5, 0.1% BSA, 22nM SAXL665 (Cisbio #610SAXLE), 100&#956;M Anacardic Acid (Enzo #ALX-270-381), 1nM Anti-Histone H4 (ACETYL K8) Antibody (ABCAM #AB15823), 0.5 nM Anti-Rabbit IgG Eu (Perkin Elmer #AD0083).The fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of acetylated peptide.The resulting data (ratio) were normalized, taking 0% inhibition as the mean value of control measurements where all reagents were included. In this case 50 nl DMSO were used instead of compounds. A 100% inhibition corresponded to the mean value of control measurements where all reagents except enzyme were included. IC50 values were determined by regression analysis based on a 4 parameter equation (minimum, maximum, ICM, Hill; Y = Max + (Min - Max) / (1 + (X/ICso) Hill) using the Screener Software (Genedata).
10418	2	SARS-CoV-2 antiviral assay	Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line (A549) is maintained in a high-glucose DMEM supplemented with 10% fetal bovine serum, 1% P/S and 1% HEPES (ThermoFisher Scientific). The A549-hACE2 cells that stably express human angiotensin-converting enzyme 2 (hACE2) are grown in the culture medium supplemented with 10 &#956;g/mL Blasticidin S (Mossel E. C., et al 2005). Cells are grown at 37 °C with 5% CO2. All culture medium and antibiotics are purchased from ThermoFisher Scientific (Waltham, MA). All cell lines are tested negative for mycoplasma. A549-hACE2 cells (12,000 cells per well in phenol-red free medium containing 2% FBS) are plated into a white opaque 96-well plate (Corning). On the next day, 2-fold serial dilutions of compounds are prepared in DMSO. The compounds are further diluted 100-fold in the phenol-red free culture medium containing 2% FBS. Cell culture fluids are removed and incubated with 200 nL of diluted compound solutions and 50 &#956;L of SARS-CoV2-Nluc viruses (MOI 0.025). At 48 h post-infection, 50 &#956;L Nano luciferase substrates (Promega) are added to each well. Luciferase signals are measured using a Synergy Neo2 microplate reader. The relative luciferase signals are calculated by normalizing the luciferase signals of the compound-treated groups to that of the DMSO-treated groups (set as 100%). The relative luciferase signal (Y axis) versus the log10 values of compound concentration (X axis) is plotted in software Prism 8. The EC50 (compound concentration for reducing 50% of luciferase signal) are calculated using a nonlinear regression model (four parameters). Two experiments are performed with technical duplicates.
10419	1	MLKL Phosphorylation High-Content Assay	HT29-L23 human colorectal adenocarcinoma cells were maintained in RPMI 1640 medium containing 10% heat-inactivated FBS, 1% Penicillin-Streptomycin and 10 mM HEPES. Cells were seeded at 2,000 cells/well in 384 well tissue culture -treated microplates (Greiner # 781090-3B) and incubated at 37 °C (5% CO2/95% O2) for 2 d. On the day of the assay, the cells were treated with test compounds at final concentrations of 6.25 to 0.106 &#956;M for 30 min at 37 °C (5% CO2/95% O2). Necroptopsis was induced using a mixture of human TNF&#945; (35 ng/mL) (Peprotech #300-01 A), SMAC mimetic (from US 2015/0322111 Al) (700 nM) and Z-VAD (140 nM) (BD pharmingen #51-6936). Following 6 h incubation at 37 °C (5% CO2/95% O2), the cells were fixed with 4% formaldehyde (ACROS 11969-0010) for 15 min at rt, then permeabilized with phosphate buffered saline (PBS) containing 0.2% Triton-X-100 for 10 min. MLKL phosphorylation was detected using anti-MLKL (phospho S358) antibody (Abeam #abl87091) (1 : 1000 dilution in Blocking Buffer [PBS supplemented with 0.1% BSA]) with ON incubation at 4 °C. After washing three times in PBS, goat anti-rabbit Alexa- 488 (1 : 1000 dilution) (Life Technologies, Al 1008) and Hoechst 33342 (Life Technologies, H3570) (1 :2000 dilution) in Blocking Buffer were added for 1 h at rt. Following another three cycles of washes in PBS, the microplates were sealed, and cellular images were acquired in the Cellomics ArrayScan VTI high-content imager equipped with an XI camera. Fluorescent images were taken using a lOx objective and the 386-23 BGRFRN BGRFRN and 485-20 BGRFRN BGRFRN filter sets, for nuclei and MLKL phosphorylation, respectively. The image sets were analyzed using the Compartmental Analysis Bioapplication software (Cellomics). The level of MLKL phosphorylation was quantified as MEAN CircRingAvglntenRatio. The maximal inhibitory response was defined by the activity induced by Neels (CAS #: 852391-15-2, 6.25 pM). The IC50 value was defined as the concentration of compound that produces 50% of the maximal inhibition. The data were fitted using the 4-parameter logistic equation to calculate the IC50 and Ymax values.
10419	2	RIPK1 HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPKl (1-324) in FRET Buffer (20 mM HEPES, 10 mM MgC12, 0.015% Brij-35, 4mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.Cloning and Baculovirus Expression of RIPK1 ConstructThe coding region of human RIPKl(l-324) flanked by Ndel site at 5&#39; end and stop codon TGA and Xhol site at 3&#39; end was codon optimized and gene synthesized at GenScript USA Inc. (Piscataway, NJ) and subcloned into a modified pFastBacl vector (Invitrogen, Carlsbad, CA) with N-terminal His-GST-TVMV tag, to generate His-GST-TVMV-hRIPKl (1-324)-pFB. The fidelity of the synthetic fragment was confirmed by sequencing.Baculovirus was generated for the construct using the Bac-to-Bac baculovirus expression system (Invitrogen) according to the manufacturer&#39;s protocol. Briefly, recombinant bacmid was isolated from transformed DHIOBac E.coli competent cells (Invitrogen) and used to transfect Spodoptera frugiperda (Sf9) insect cells (Invitrogen). Baculovirus was harvested 72 hours post transfection and a virus stock was prepared by infecting fresh Sf9 cells at a 1/1000 (v/v) ratio for 66 hours.For large scale protein production, Sf9 cells (Expression System, Davis, CA) grown in ESF921 insect medium (Expression System) at 2 x 106 cells/ml were infected with virus stock at a 1/100(v/v) ratio for 66 hours. The production was carried out either at a 10 L scale in a 22 L cellbag (GE Healthcare Bioscience, Pittsburgh, PA) or at a 20 L scale in a 50 L cellbag using WAVE-Bioreactor System 20/50 (GE Healthcare Bioscience). The infected cells were harvested by centrifugation at 2000 rpm for 20 min at 4 °C in a SORVALL RC12BP centrifuge. The cell pellets was stored at -70 °C before protein was purified.Purification of His-GST-TVMV-hRIPKl(l-324)RIPK1 containing cell paste was resuspended in 50 mM Tris pH 7.5, 150 mM NaCl, 10 mM imidazole, 5% glycerol, 5 mM MgSCE, 1 mM TCEP, 25 U/ml Benzonase, and Complete Protease Inhibitor tablets (1/50 ml, Roche Diagnostics, Indianapolis, IN). The cells were lysed by nitrogen cavitation using an unstirred pressure vessel @ 525 PSI (Parr Instrument Company, Moline, IL). The suspension was clarified by centrifugation at 136,000 x g for 40 min, at 4 °C. The lysate was decanted from the pellet and passed through a 5 ml NiNTA Superflow cartridge (Qiagen, Valencia, CA) using an AKTA Pure (GE Healthcare). Column was eluted with 10 CV linear gradient into 50 mM Tris 7.5, 150 mM NaCl, 500 mM imidazole, 5% glycerol, 1 mM TCEP. Peak fractions were pooled and loaded directly onto 5 ml GSTrap 4B column (GE Healthcare). Column was washed with 50 mM Tris 7.0, 150 mM NaCl, 5% glycerol, 1 mM DTT and eluted in 10 CV linear gradient into 50 mM Tris 8.0, 150 mM NaCl, 20 mM reduced glutathione, 5% glycerol, 1 mM DTT. Fractions identified by SDS-PAGE as containing RIPK1 were pooled and concentrated using 30 kDa MWCO spin concentrators (Amicon Ultra-15, Millipore, Billerica, MA) and loaded onto a HiLoad 26/600 Superdex 200 column (GE Healthcare) equilibrated in 25 mM Tris 7.5, 150 mM NaCl, 2 mM TCEP, 5% glycerol. The RIPK1 protein eluted as a dimer off the SEC column.The yield was ~8 mg/L with a purity >95% as determined by Coomassie stain SDS-PAGE gel analysis.
10419	3	PI3Kdelta HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 40 nM probe and 1 nM GST-tagged PIK3C5 in complex with PIK3R1 (Invitrogen #PV5273) in FRET Buffer (20 mM HEPES, 10 mM MgC12, 0.015% Brij-35, 4mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.Preferred compounds have low to no activity against PI3K, preferably compounds have PIK3 activity of 1 pM or greater.
10420	1	Pim Enzyme Assay	Pim-1 and Pim-3 kinase assays-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Biotin-labeled BAD peptide substrate (AnaSpec 62269), 1 mM ATP, and 2.5 pM (Pim-1, Invitrogen PV3503) or 1.25 pM (Pim-3, Millipore 14-738) enzyme for 1 h at 25° C. Reactions were stopped by addition of 10 &#956;L STOP Buffer (150 mM Tris, pH=7.5, 150 mM NaCl, 75 mM EDTA, 0.01% Tween-20, 0.3% BSA) supplemented with Phospho-Bad (Ser112) Antibody (Cell Signaling 9291) diluted 666-fold, and Streptavidin donor beads (PerkinElmer 6760002) along with Protein-A acceptor beads (PerkinElmer 6760137) at 15 &#956;g/mL each. Supplementation of the STOP buffer with beads and stopping the reactions were done under reduced light. Prior to the stopping reactions STOP buffer with beads was pre-incubated for 1 h in the dark at room temperature. After stopping the reactions, plates were incubated for 1 h in the dark at room temperature before reading on a PHERAstar FS plate reader (BMG Labtech) under reduced light.
10420	2	Enzyme Assay	Pim-2 kinase assay-20 &#956;L reactions were run in white 384 well polystyrene plates dotted with 0.8 &#956;L compound/DMSO in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, 5 mM DTT), containing 0.05 &#956;M Fluorescein-labeled CREBtide peptide substrate (Invitrogen PV3508), 1 mM ATP, and 1 nM enzyme (Invitrogen PV3649) for 2 h at 25° C. Reactions were stopped by addition of 10 &#956;L TR-FRET Dilution Buffer (Invitrogen PV3574) with 30 mM EDTA and 1.5 nM LanthaScreen Tb-CREB pSer133 antibody (Invitrogen PV3566). After 30 min. incubation at room temperature, plates were read on a PHERAstar FS plate reader (BMG Labtech).
10421	1	Radio-Ligand Binding Assay	ROR gamma radioligand binding was performed using 3H 25-Hydroxycholesterol in a competitive displacement assay using dextran charcoal method. Using 5 nM 3H 25-Hydroxycholesterol with 300 ng ROR&#947; LBD (in house expressed in E. coli) along with the compound were incubated in the binding buffer (50 mM HEPES, pH 7.5, 150 mM NaCl, 0.01% BSA and 5 mM MgCl2) for 30 min at room temperature. Then dextran-charcoal mixture (0.5% charcoal: 0.05% dextran) was used for separation and the supernatant was read on the Perkin Elmer Trilux Microbeta counter. Dose response curves were generated for 10 compound concentrations using GraphPad Prism software Version 5 (San Diego, Calif., USA) using non-linear regression curve fit for sigmoidal dose response (variable slope).
10422	1	Affinity Assay	hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combined with [3H]mibolerone (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4, 1.5 mM disodium EDTA, 0.25 M sucrose, 10 mM sodium molybdate, 1 mM PMSF) to determine the equilibrium dissociation constant (Kd) of [3H]mibolerone. Protein was incubated with increasing concentrations of [3H]mibolerone with and without a high concentration of unlabeled mibolerone at 4° C. for 18 h in order to determine total and non-specific binding. Non-specific binding was then subtracted from total binding to determine specific binding and non-linear regression for the ligand binding curve with one site saturation was used to determine the Kd of mibolerone. The results of this assay are reported as Ki values (nM) in Table 1 in the column labeled wt AR Binding (Ki(left)) . As discussed above and is apparent from Table 1, there is a poor correlation between AR-LBD affinity and SARD activity. E.g., see in vitro SARD activity for 1002, 1005, 1015, 1019, 1020, and 1022 despite no binding affinity for the LBD.
10423	1	Inhibitory Effects of the Compounds on MEF2D and HDAC4 Protein Interactions	Detection of MEF2D and HDAC4 interactions. In this mammalian two-hybrid assay, HDAC4 and MEF2D proteins were used. Two separate DNA constructs were made with MEF2D fused with the GAL4 DNA binding domain (GAL4-MEF2D) and with the MEF2-binding motif of HDAC4 (AA 155-220) fused with the viral transactivator VP-16 (HDAC4-VP16). Human epithelial carcinoma cells (HeLa) were co-transfected with the two DNA constructs (GAL4-MEF2D and HDAC4-VP16) and a reporter plasmid (Gal4Luc). The DNA constructs resulted in expression of the GAL4-MEF2D and HDAC4-VP16 fusion proteins within the cell. MEF2D and HDAC4 protein interactions were detected as a result of the GAL4-MEF2D and HDAC4-VP16 protein complex binding a DNA promoter on the reporter plasmid (Gal4Luc) and driving cellular expression of a luciferase gene. The measured luciferase protein signal was proportional to the amount of MEF2D and HDAC4 protein interactions occurring with the cell.
10423	2	Inhibitory Effects of the Compounds on MEF2D and P300 Protein Interactions	Detection of MEF2D and P300 interactions. The same system that was used in Example 19 is used in here to detect MEF2D and P300 interactions. In this assay, two separate DNA constructs were made with MEF2D fused with the GAL4 DNA binding domain (GAL4-MEF2D) and P300 fused with the viral transactivator VP-16 (HDAC4-VP16). Human epithelial carcinoma cells (HeLa) were co-transfected with the two DNA constructs (GAL4-MEF2D and P300-VP16) and a reporter plasmid (Gal4Luc). The DNA constructs resulted in expression of the GAL4-MEF2D and P300-VP16 fusion proteins within the cell. MEF2D and P300 protein interactions were detected as a result of the GAL4-MEF2D and P300-VP16 protein complex binding a DNA promoter on the reporter plasmid (Gal4Luc) and driving cellular expression of a luciferase gene. The measured luciferase protein signal was proportional to the amount of MEF2D and P300 protein interactions occurring with the cell.
10424	1	Plasma Kallikrein Activity Assay	Plasma kallikrein activity assay. The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8).After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek Power Wave X340 Microplate Reader (Winooski, Vt., USA). Data were analyzed using SigmaPlot software.
10425	1	Biological Activity Assay	The KDM1A demethylase enzyme activity can obtained from mammalian cells or tissues expressing KDM1A from an endogenous or recombinant gene and purified or assayed from a whole cell extract. These methods can be used to determine the concentration of the disclosed compounds can inhibit fifty percent of the enzyme activity (IC50). In one aspect, the disclosed compounds exhibit inhibition fifty percent of the KDM1A enzyme activity at a concentration of less than 500 nM, less than 100 nM, less than 50 nM or less than 10 nM.
10426	1	Inhibition Activity Assay	In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for this experiment. Specifically, an enzymatic reaction was conducted by mixing 0.4 nM of BTK enzyme, 40 &#956;M of biotin-S1 substrate peptide and 50 M of ATP in a reaction buffer (15 mM Tris-HCl (pH 7.5), 20 mM MgCl2, 2 mM MnCl2, 2 mM DTT, 0.1 mg/ml BSA). The mixture was treated with the test compounds at predetermined concentrations and allowed to react for 20 minutes at 30° C. Upon completion of the reaction, the activities of the test compounds were measured by ELISA method. The absorbance value of an untreated sample was used as a control (100% control). BTK enzyme activities were measured after treatment with various concentrations of the test compounds, and the concentration of test compounds resulting in 50% inhibition of BTK enzyme as compared to the control was determined as IC50 of BTK inhibitor.
10427	1	Biochemical Assay	This assay was developed and further optimized from a kit produced by Upstate (Millipore catalog #33-047) (Millipore Sigma, Billerica Mass., USA) and has been configured for high throughput screening (HTS) and structure-activity relationship (SAR) screening. Briefly, this procedure exploits the exquisite specificity and high affinity binding of enzyme reaction substrate phosphatidyl(3,4,5)triphosphate (PIP3) to the GRP1 pleckstrin homology (PH) domain to generate the signal. In the absence of PIP3, an HTRF (Homogeneous Time-Resolved Fluorescence energy transfer) complex is formed consisting of europium (u)-labeled anti-GST, GST tagged GRP1-PH domain, biotin-PIP3 (biotinylated-PIP3) and streptavidin conjugated APC (Allophycocyanin). The native PIP3 produced by PI3-Kinase activity disrupts in a competitive manner the biotin-PIP3 from the pleckstrin homology (PH) domain, resulting in the loss of energy transfer (HTRF complex) and a decrease in the signal. The format of this assay is the same for all 4 isoforms of PI3K; the differences lie in the concentration of enzyme used to achieve robust assay window. The alpha, beta, and delta assays are run at 0.5, 1, and 0.3 nM enzymes and the gamma assay is run at 5 nM enzyme. The ATP concentration is 100 uM in the alpha, beta, and delta assays and 50 uM adenosine triphosphate (ATP) in the gamma assay. All reactions are run at 5 uM PIP2.
10428	1	Malachite Green ATPase Assay	1. Dilute test compounds to 500 uM in AR water (DMSO concentration will be 2.5%). Transfer 2.5 ul of these compounds directly from the daughter plate to the assay plate, giving a final assay concentration of 100 uM. To obtain 12 point IC50 values, perform serial dilutions 1:2 to produce a range of assay concentrations from 100 uM to 97.6 nM (2.5% DMSO), and transfer 2.5 uM of each concentration into the assay plate. Column 1 in the assay plate contains no compound, as a negative control. An additional row with no compound is also used as a background.2. Prepare ATP by diluting 100 mM stock to 925 uM with assay buffer, and aliquot 5 ul of diluted ATP to each well including controls (final assay concentration 370 uM).3. Add 5 ul of buffer to background row.4. Dilute enzyme preparation to 1.05 uM with assay buffer, and aliquot 5 uM into each compound well and to the negative control column.5. Collect the reagents to the bottom of the well, cover plate with plate seal and incubate overnight at 37deg C.6. First thing in the morning prepare the Malachite Green Reagent. Add 2 parts of Malachite Green Solution, 1 part of Polyvinyl Alcohol Solution, 1 part of Ammonium Molybdate Solution, and 2 parts of AR water. 7. Invert to mix, and leave for approximately 1 hour until the colour turns from brown to golden yellow.8. Add 40 uM of Malachite Green Reagent to each well, allow 5 mins for colour to develop.9. Add 5 ul of Sodium Citrate Reagent to each well (see comment 2)10. Re-cover with plate seal and shake on plate shaker for at least 15 mins.11. Measure Absorbance at 620 nM using a suitable plate reader (e.g. Victor, Perkin Elmer Life Sciences, Milton Keynes, UK). Under these conditions, the control absorbance is 0.9 to 1.4, and the background is 0.2-0.35 giving a signal to noise ratio of 12. The Z factor calculated from data obtained using these conditions is between 0.6
10428	2	Fluorescence Polarization Assay	1) Costar 96-well black assay plate. Assay buffer of (a) 100 mM Tris pH7.4; (b) 20 mM KCl; (c) 6 mM MgCl2. Stored at room temperature.3) BSA (bovine serum albumen) 10 mg/ml (New England Biolabs # B9001S)4) 20 mM probe in 100% DMSO stock concentration. Stored in the dark at RT. Working concentration is 200 nM diluted in AR water and stored at 4 ° C. Final concentration in assay 80 nM.5) E. coli expressed human full-length HSP90 protein, purified>95% (see, e.g., Panaretou et al., 1998) and stored in 50 uL aliquots at C. Protocol: 1) Add 100 ul buffer to wells 11A and 12A (=FP BLNK)2) Prepare assay reagents are kept on ice with a lid on the bucket as the probe is light-sensitive. i. Final Conc Hsp90 FP Buffer 10 ml 1xBSA 10 mg/ml (NEB) 5.0 ul 5 ug/ml Probe 200 uM 4.0 ul 80 nM Human full-length Hsp90 6.25 ul 200 nM 3) Aliquot 100 ul assay mix to all other wells 4) Seal plate and leave in dark at room temp for 20 minutes to equilibrate. Compound Dilution Plate 1x3 Dilution Series1) In a clear 96-well v-bottom plate {# VWR 007/008/257} add 10 ul 100% DMSO to wells B1 to H112) To wells A1 to A11 add 17.5 ul 100% DMSO 3) Add 2.5 ul cpd to A1. This gives 2.5 mM {50x} stock cpd assuming cpds 20 mM. 4) Repeat for wells A2 to A10. Control in columns 11 and 12.5) Transfer 5 ul from row A to row B-not column 12. Mix well.6) Transfer 5 ul from row B to row C. Mix well.7) Repeat to row G. 8) Do not add any compound to row H-this is the 0 row. 9) This produces a 1x3 dilution series from 50 uM to 0.07 uM.10) In well B12 prepare 20 ul of 100 uM standard compound. 11) After first incubation the assay plate is read on a Fusion a-FP plate reader. 12) After the first read, 2 ul of diluted compound is added to each well for columns 1 to 10. In column 11 {provides standard curve} only add compound B11-H11. Add 2 ul of 100 mM standard cpd to wells B12-H12 {is positive control} 13) The Z factor is calculated from zero controls and positive wells. It typically gives a value of 0.7-0.9.
10429	1	In-Vitro Assay	THP1 (Tamm-Horsfall Protein 1) monocytes were differentiated with PMA (Phorbol 12-myristate 13-acetate) (100 ng/ml) and incubated at 37° C. for 20 h in presence of 5% CO2. 2×105 differentiated cells were plated per well of 96 well tissue culture plates. The cells were primed using 500 ng/ml Lipopolysaccharide and incubating for 4 hrs under the same condition. The cells were then treated with various concentrations of the compounds for 30 min followed by treatment with 5 mM ATP for 1 hr. The supernatants were collected and analysed by IL-1b (Mabtech Cat #3415-1H-20) or TNF-a (Mabtech; Cat #3510-1H-20) detection kit. The data were analyzed using GraphPad Prism V7.0. Dose Response Curve (DRC) was constructed to determine the IC50 value by fitting percentage cell survival data to the GraphPad Prism using nonlinear regression analysis.
10430	1	FLIPR Assay	IC50s (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 were plated into 384-well plates, incubated overnight at 37C, and loaded with BD calcium indicator dye for 1 hr at 37° C. followed by 15 minutes. at room temperature. The assay buffer was Hank&#39;s Balanced Salt Solution (HBSS) containing 20 mM HEPES (pH readjusted to 7.4) along with 0.02% BSA.Following dye load and plate cool down, compounds were added to the cells using FLIPR Tetra. Plates were then incubated with compounds for 20 minutes at room temperature prior to adding agonist. Following this incubation, EC80 concentration of cinnamaldehyde (75 uM for human TRPA1 and 45 uM for rat TRPA1) was added to active the channels and block of cinnamaldehyde induced calcium influx was measured.
10431	1	In Vitro HDAC Enzyme Inhibition	Purified histone deacetylase enzymes 1, 3, 6, 10 were incubated with fluorescently labeled substrate and test compounds in a standardized reaction mixture in 384 well plates. Upon termination of the reaction, samples were introduced onto microfluidic chips. Samples migrate through channels in the chips and product and substrate are separated based on the difference in their charge and mass (electrophoretic mobility shift). Enzyme activity is measured by direct comparison of the fluorescence in the product and substrate peaks.
13276	1	PRC2 Enzymatic Activity.Assay	Table 6: Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 μM. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. SAH (S-(5-adenosyl)-L-homocysteine) was used as a positive control for assay validation.An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8)), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 μl volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 μM S-Adenosyl-L-[methyl-3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter.
13277	1	Enzymatic Activity Assay	Table 8: Dose response testing of HDAC6 and HDAC 1 were run at Reaction Biology Corporation (RBC). Inhibition of HDAC enzymes was performed using N-terminal GST tagged human full-length recombinant HDAC6 (H88-30G, SignalChem) and C-terminal FLAG His tag human full-length recombinant HDAC1 produced in insect cells (KDA-21-365, RBC). Enzyme reactions were run in 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2 with 1 mg/ml BSA, 1% DMSO freshly added. 2× enzyme was delivered in the wells of the reaction plate except for the “no enzyme” control wells. In the latter, buffer was added. Compounds in 100% DMSO were delved into the enzyme mixture by acoustic technology (Echo550). Plates are spun down and compounds were incubation with the enzyme for 10 min at room temperature. 2× Fluorogenic peptide from p53 residues 379-382 (RHKKAc, 10 μM final concentration) was added in all wells to initiate the reaction, followed by 1 h incubation at 30° C. Developer containing Trichostatin A was added to stop the reaction and generate fluorescent color. A kinetic measurement was carried out for 20 min with 5 min interval on the Envision plate reader (Perkin Elmer, Ex/Em=360/460). End point reading i.e., plateau of the development reaction was used for analysis. Data was reported by RBC as percentage enzyme activity. Percentage inhibition was calculated by subtracting percentage enzyme activity from 100. IC50 values were calculated using GraphPad Prism 9 based on the log(inhibitor) vs. response—Variable slope (four parameters) equation.
13277	2	Enzymatic Activity Assay	Table 9: Inhibition of HDAC enzymes was performed in 384-well plate format using human full-length recombinant HDAC1 and HDAC6, isolated from a baculovirus expression system in Sf9 cells (BPS Bioscience). Reaction buffer for HDAC1 contained 50 mM Tris-HCl pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/mL BSA, and reaction buffer for HDAC6 contained 50 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 250 μM EDTA, 1 mM DTT, 0.1 mg/mL BSA. Compounds (dissolved in 100% DMSO) or DMSO (vehicle) were diluted in assay buffer at 3× final assay concentration and then added to assay plates. SAHA (10 μM) was used as a positive control. 3× final assay concentration of recombinant enzymes (final assay concentration is 4 nM and 5 nM for HDAC1 and HDAC6, respectively) were preincubated for 10 minutes with test compounds at room temperature. Afterwards, 3× final assay concentration of an acetylated fluorogenic peptide (Ac-Gly-Ala-Lys(Ac))-AMC, Bachem; final assay concentration is 12 μM and 40 M for HDAC1 and HDAC6, respectively) was added to assay plate, allowing deacetylase reactions to incubate for 60 minutes at room temperature. The developer reagent containing 5 M SAHA and 50 M trypsin was added to stop the deacetylase reaction and generate AMC-fluorescence. 15 minutes after addition of developer reagent, endpoint measurements were taken using CLARIOstar (BMG Labtech) plate reader (excitation/emission: 360/450). Fluorescence signals were normalized for each plate using GraphPad Prism software: reaction HDAC-substrate in presence of DMSO was set to 100% while reaction HDAC-substrate in presence of 10 μM SATHA was set to 0%. 
13278	1	Experiment on Binding Activity Between Compound and PARP1 Using Fluorescence Polarization Assay	The fluorescence polarization assay was performed in 96-well black-walled plates (Greiner). The reaction buffer consisted of 50 mM Tris (pH 8), 0.001% Triton X100, 10 mM MgCl2, and 150 mM NaCl. Both the fluorescent probe and His-Avi-tagged PARP1 protein were manufactured by WuXi AppTec (Shanghai). In a 100 μL reaction system, 8 nM PARP1, 5 nM fluorescent probe, and the compounds were added respectively. The compound concentration was prepared following the starting concentration and dilution gradient in Table 1. For example, compound 1 started from 100 nM with a 3-fold dilution. The test sample was incubated at room temperature for 4 hours, protected from light. Fluorescence polarization values were measured using an En Vision plate reader. The obtained fluorescence polarization values and compound concentrations were subjected to nonlinear fitting using GraphPad 8.0 software to determine the IC50 values.
13278	2	Experiment on Binding Activity Between Compound and PARP2 Using Fluorescence Polarization Assay	The fluorescence polarization assay was performed in 96-well black-walled plates (Greiner). The reaction buffer consisted of 50 mM Tris (pH 8), 0.001% Triton X100, 10 mM MgCl2, and 150 mM NaCl. Both the fluorescent probe and His-Avi-tagged PARP2 protein were manufactured by WuXi AppTec (Shanghai). In a 100 μL reaction system, 3 nM PARP2, 5 nM fluorescent probe, and the compounds were added respectively. The compound concentration was prepared following the starting concentration and dilution gradient in Table 2. The test sample was incubated at room temperature for 4 hours, protected from light. Fluorescence polarization values were measured using an EnVision plate reader. The obtained fluorescence polarization values and compound concentrations were subjected to nonlinear fitting using GraphPad 8.0 software to determine the IC50 values.
13279	1	Human Liver Microsomal CYP Inhibition Test	3.5.1 the working solution preparation of the compound to be tested and the positive control (100×);3.5.2 Taking the liver microsomes from the −80° C. cryogenic freezer and melting on ice;3.5.3 Adding 20 μL of substrate solution to the appropriate wells and 20 μL of potassium phosphate buffer to the blank wells;3.5.4 Adding 2 μL of different concentrations of target compounds (final concentrations from 0.05 μM to 50 μM, 7 concentrations in total) or standard inhibitors to each well, with 2 μL of methanol solution in the non-inhibitor and blank wells;3.5.5 Adding 1.012 mL of liver microsomes to 78.988 mL of potassium phosphate buffer, then adding 158 μL of liver microsomes solution to all wells; preheating the well plate for 10 minutes in a 37° C. water bath;3.5.6 Weighing 129.1 mg NADPH (purchased from SyncoZymes Co. Ltd.) and adding to 15.0 mL of 33 Mm MgCl2 solution to give a 10 mM concentration, adding 20 μL to each well;3.5.7 Mixing and incubating the well plate in a 37° C. water bath for 10 minutes, then adding 400 μL of cold termination solution at the appropriate time point;3.5.8 Centrifuging the sample at 4000 rpm for 20 minutes to precipitate the protein. Transferring 200 μL of supernatant to 100 μL of HPLC water and shaking for 10 minutes. The samples were analyzed by LC/MS/MS.
13280	1	FP Assay (In Vitro)	The inhibitory activity of test compounds on the binding between Nrf2 and Keap1 was determined by fluorescence polarization. A solution of 50 mM Tris-HCl pH.8.0 (NACALAI, REF: 06938-15), and 5 mM DTT (SIGMA-ALDRICH, REF: 646563-10X.5 mL) was used as a buffer solution. 8 μL of a buffer solution containing 40 nM GST-fused human Keap1 (amino acid residues: 325-642) protein (Protein tech, REF: Ag0779) was taken in a black 384-well plate (final concentration 20 nM), and 4 μL of the test compound solution prepared to each concentration in buffer solution was added thereto. A well containing a portion of the buffer solution without Keap1 was placed as a negative control. A well with no compound was used as a positive control. 40 nM of FITC-labeled Nrf2 peptide (FITC-X-LQLDEETGEFLPIQ (X=ε-Acp), Peptide Institute Inc.) was added thereto (10 nM final concentration). The wells were incubated at room temperature for 2 hr, and then fluorescence polarization was measured with a plate reader SPECTRAMAX Paradigm (Molecular devices) at excitation wavelength of 485 nm and fluorescence wavelength of 535 nm. The fluorescence polarization of the negative control was set to 100% inhibition and that of the positive control to 0% inhibition, and the inhibitory rate upon addition of the test compound was calculated using the following formula.
10433	1	Homogeneous Time Resolved Fluorescence (HTRF) Assay	To determine the potency of compounds for inhibiting nucleotide exchange, various concentrations were incubated with K-Ras G12C (25 nM in reaction, 12.5 nM final). After 18 hours at room temperature, the SOS1 GTP exchange factor (1.67 nM during exchange, 1.25 nM final) was added to initiate nucleotide exchange to GTP (200 &#956;M during exchange, 150 M final). The level of GTP exchange was assessed by addition of a Ras binding domain derived from C-Raf and the HTRF detection antibodies Tb-anti-FLAG and D2-anti-his (Cis-Bio) at 50 nM, 1 nM and 12.5 nM, respectively. After 2 hours, the ratio of 665 nm to 615 nM emission with 320 nM excitation was measured on an Envision plate reader (Perkin Elmer).The final reaction volume was 20l in a ProxiPlate-384F Plus (Perkin Elmer), in buffer containing 20 mM HEPES, 150 mM NaCl, 1 mM MgCl2, 0.1% BSA, 0.03% Tween-20 and 1 mM DTT. K-Ras G12C (residues 2-188) and SOS1 (residues 564-1049) had N-terminal 6-His and the Raf-RBD construct (residues 51-186 of RAFI) had an N-terminal Flag-tag. All constructs were expressed in E. coli and had a Tev cleavage site between the tag and protein of interest that was not used during purification. 
10434	1	Enzyme Assay	Microtubule-stimulated ATPase activity assay is used to measure KIF18A enzyme activity after treatment with compound. Compounds were 2-fold serially diluted in DMSO (Sigma Inc) over 22-point concentration range. Recombinant human KIF18A (1-467 His-tagged) protein was expressed using a baculovirus system and purified by affinity chromatography by Amgen Inc. Concentrations of KIF18A protein, microtubules (MT), and ATP in the reaction were optimized for standardized homogenous enzyme assay using ADP-Glo Kinase/ATPase Assay Kit (Promega Inc). The assay measures ADP formed from the ATPase reaction. Prepare reaction buffer [(15 mM Tris, pH 7.5 (Teknova Inc), 10 mM MgCl2 (JT Baker Inc), 0.01% Pluronic F-68 (Life Technologies Inc), 1 &#956;M Taxol (Cytoskeleton Inc), and 30 &#956;g/mL pig microtubules (Cytoskeleton Inc)]. Add compound and KIF18A protein (30 nM) to prepared reaction buffer and incubated for 15 minutes at room temperature, next add ATP (at Km, 75 &#956;M) to the reaction mixture and incubated for an additional 15 minutes at room temperature. Mix 5 &#956;l of ADP-Glo&#153; Reagent and 2.5 &#956;l of the reaction mixture and incubate for 40 minutes at room temperature. Add 10 &#956;l ADP-Glo Detection Reagent and incubate for 40 minutes at room temperature. Read luminescence using EnVision microplate reader with ultra-luminescence module (Perkin Elmer Inc). Concentration-response curve-fitting and IC50 determination was performed using Genedata Screener Software (Standard 15.0.1, Genedata Inc) with a four-parameter logistic regression fit model.
10435	1	PI3KC3 (hVPS34) Kinase Assay	The substrate (Phosphatidylinositol (PI): Phosphatidylserine (PS)) was added to freshly prepared reaction buffer (40 mM Tris-HCl (pH7.5), 3 &#956;M Orthovanadate, 20 mM MgCl2, 2 mM DTT, 0.05% CHAPS, 1% DMSO). The PI3KC3 (hVPS34) kinase was delivered into the substrate solution with gentle mixing. Compounds were delivered in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). The reaction was incubated for 20 min at room temperature. ATP was delivered into the reaction mixture to initiate the reaction. After incubating the mixture for 60 min at 30° C., the reaction was quenched with ADP-Glo reagent (Promega ADP Glo Kinase Assay kit #V9102) and incubated for 40 min at room temperature. Detection mixture (Promega ADP Glo Kinase Assay kit #V9102) was added and the reaction was incubated for 30 minutes. Luminescence was measured.
10435	2	Inhibition of PI3K&#945;	Compounds were prepared at 100× final concentration using a 12-point, 1:3 serial-dilution in DMSO, with DMSO control as the 12th point. Compound was then diluted in HEPES buffer (25 mM HEPES pH 7.5, 1 mM EGTA, 0.3% CHAPS) prior to addition to PI3K&#945;. Active PI3K&#945; diluted to 0.24 ng/&#956;L (1.1 nM) in (50 mM HEPES pH 7.5, 6 mM MgCl2, 1 mM EGTA, 200 mM NaCl, 0.03% CHAPS, 8 mM DTT) was incubated with compound for 0 hr and 3 hr prior to the start of the reaction. 25 &#956;M PIP2:PS and 60 &#956;M ATP were diluted from stock solution (25 mM HEPES pH 7.5, 1 mM EGTA, 0.3% CHAPS) and added to initiate the PI3K&#945; reaction. Reaction time was 30 minutes. ATP to ADP conversion was measured in Luminescence Counts on DTX880 Plate Reader (Beckman Coulter). The IC50 of the compounds were reported using the GraphPad Prism software. Analytical method was non-linear regression, 4-parameter curve fit with bottom fit to validated PI3K&#945; inhibitor reference controls and no top fit (floating top).
10436	1	In Vitro Enzyme Assay	ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyclonal antiserum raised to amino acids 400-480 of ATR (Tibbetts R S et al, 1999, Genes Dev. 13:152-157) contained in the following buffer (25 mM HEPES (pH7.4), 2 mM MgCl2, 250 mM NaCl, 0.5 mM EDTA, 0.1 mM Na3V04, 10% v/v glycerol, and 0.01% v/v Tween 20). ATR-antibody complexes were isolated from nuclear extract by incubating with protein A-Sepharose beads (Sigma, #P3476) for 1 hour and then through centrifugation to recover the beads. In the well of a 96-well plate, 10 ATR-containing Sepharose beads were incubated with 1 &#956;g of substrate glutathione S-transferase-p53N66 (NH2-terminal 66 amino acids of p53 fused to glutathione {circumflex over (&#8195;)}-transferase was expressed in E. coli) in ATR assay buffer (50 mM HEPES (pH 7.4), 150 mM NaCl, 6 mM MgCl2, 4 mM MnCl2, 0.1 mM Na3V04, 0.1 mM DTT, and 10% (v/v) glycerol) at 37° C. in the presence or absence of inhibitor. After 10 minutes with gentle shaking, ATP was added to a final concentration of 3 &#956;M and the reaction continued at 37° C. for an additional 1 hour. The reaction was stopped by addition of IOO&#956; PBS and the reaction was transferred to a white opaque glutathione coated 96-well plate (NUNC #436033) and incubated overnight at 4° C. This plate was then washed with PBS/0.05%>(v/v) Tween 20, blotted dry, and analyzed by a standard ELISA (Enzyme-Linked Immunosorbent Assay) technique with a phospho-serine 15 p53 (16G78) antibody (Cell Signaling Technology, #9286). 
10437	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. Cezanne 1 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.005 &#956;l/well and 10 &#956;l of diluted Cezanne 1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. 
10438	1	In Vitro AKT1 Kinase Assay	Following addition of compound or control to the assay plate, 6p1 peptide mix containing 3 &#956;M substrate (5-FAM-GRPRTSSFAEG-CONH2; CRB) and 40 &#956;M ATP in Kinase base buffer (100 mM Hepes pH 7.5, 0.015% Brij-35) and 6p1 enzyme mix containing 8 nM AKT1/PKB&#945; active enzyme (Upstate Biotechnology, Cat No. 14-276), 8 mM DTT and 20 mM MgCl2 in kinase base buffer was added. All buffers were made up with 18M&#937; water. The plates were sealed and incubated at room temperature for 50 minutes. The reaction was stopped by the addition of 10 &#956;l stop buffer (100 mM Hepes pH 7.5, 0.015% Brij-35 solution, 0.1% coating reagent #3, 40 mM EDTA, 5% DMSO) to each well (N.B. plates can be frozen after stopping and read later). 
10439	1	Measurement of RET Inhibitory Activity (In Vitro)	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against RET kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure RET kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human RET protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, RET protein, the substrate peptide (final concentration: 250 nM), magnesium chloride (final concentration: 10 mM), ATP (the final concentration: 10 &#956;M), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 2.5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each of the mixtures was incubated at 25° C. for 100 minutes to perform kinase reaction. EDTA was then added thereto to give a final concentration of 24 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as the IC50 value (nM).
10439	2	SRC Inhibitory Activity Measurement	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against SRC kinase activity, the price list of LabChip-series consumable reagents of PerkinElmer shows that FL-Peptide 4 corresponds to the substrate peptide for reaction to measure SRC kinase activity. Thus, FL-Peptide 4 was used as a substrate. The purified recombinant human SRC protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, SRC protein, FL-Peptide 4 (final concentration: 1.5 &#956;M), magnesium chloride (final concentration: 10 mM), ATP (final concentration: 15 &#956;M), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 5%) were added to a reaction buffer (100 mM HEPES, pH of 7.0, 1 mM dithiothreitol, 0.003% Brij35, 0.04% Tween-20) containing a phosphatase inhibitor cocktail (PhosSTOP, Roche) and a protease inhibitor cocktail (complete Mini, EDTA-free, Roche) at recommended concentrations. Each mixture was incubated at 30° C. for 90 minutes to perform kinase reaction. EDTA diluted with a separation buffer available from PerkinElmer (final concentration: 30 mM) was then added thereto to terminate the kinase reaction. Finally, non-phosphorylated substrate peptides (S) and phosphorylated peptides (P) were separated and detected by microchannel capillary electrophoresis using LabChip EZ Reader II (PerkinElmer). The phosphorylation level was calculated from the height of the peaks of S and P, and the compound concentration at which phosphorylation was inhibited by 50% was defined as IC50 value (nM).
10439	3	LCK Inhibitory Activity Measurement	Regarding the conditions for measurement of in vitro inhibitory activity of compounds against LCK kinase activity, the website of AnaSpec states that Srctide (GEEPLYWSFPAKKK) corresponds to the substrate peptide for reaction to measure LCK kinase activity. Thus, the amino acid sequence was partly modified and biotinylated to prepare biotinylated peptides (biotin-EEPLYWSFPAKKK). The purified recombinant human LCK protein used in the test was purchased from Carna Biosciences, Inc.To measure the inhibitory activity, first, the compounds of the present invention were individually diluted with dimethyl sulfoxide (DMSO) stepwise. Subsequently, LCK protein, the substrate peptides (final concentration: 250 nM), magnesium chloride (final concentration: 10 mM), ATP (final concentration: 50 &#956;M), and a solution of the compound of the present invention in DMSO (final concentration of DMSO: 5%) were added to a buffer for kinase reaction (13.5 mM Tris, pH of 7.5, 2 mM dithiothreitol, 0.009% Tween-20). Each mixture was incubated at 25° C. for 60 minutes to perform kinase reaction. EDTA was then added thereto to give a final concentration of 40 mM so that the reaction was terminated. A detection solution containing Eu-labeled antiphosphotyrosine antibody PT66 (PerkinElmer) and SureLight APC-SA (PerkinElmer) was added thereto, and each mixture was allowed to stand at room temperature for 2 hours or more. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at the two wavelengths of 620 nm and 665 nm. The phosphorylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which phosphorylation was inhibited by 50% was defined as IC50 value (nM).
10432	1	Binding Assay (ELISA)	The ELISA assay was performed in streptavidin coated plates which were preincubated with 200 ul per well of 1 &#956;g ml&#8722;1 biotinylated IP3 peptide. The plates were ready to use for MDM2 binding after washing the plate with PBS.Compounds and control solutions in DMSO aliquoted in 96-well plates were pre-incubated in a final 2.5-5% (v/v) DMSO concentration at room temperature (for example 20C.) for 20 min with 190 ul aliquots of optimized concentrations of in vitro translated MDM2, before transfer of the MDM2-compound mixture to the b-IP3 streptavidin plates, and incubation at 4C. for 90 min. After washing three times with PBS to remove unbound MDM2, each well was incubated at 20C. for 1 hour with a TBS-Tween (50 mM Tris pH7.5; 150 mM NaCl; 0.05% Tween 20 nonionic detergent) buffered solution of primary mouse monoclonal anti-MDM2 antibody (Ab-5, Calbiochem, used at a 1/10000 or 1/200 dilution depending on the antibody stock solution used), then washed three times with TBS-Tween before incubation for 45 mins at 20C. with a TBS-Tween buffered solution of a goat-anti-mouse horseradish peroxidase (HRP) conjugated secondary antibody (used at 1/20000 or 1/2000 depending on the antibody stock solution). The unbound secondary antibody was removed by washing three times with TBS-Tween. The bound HRP activity was measured by enhanced chemiluminesence (ECL, Amersham Biosciences) using the oxidation of the diacylhydrazide substrate, luminol, to generate a quantifiable light signal. The percentage of MDM2 inhibition at a given concentration is calculated as the [1&#8722;(RLU detected in the compound treated sample&#8722;RLU negative DMSO control)÷(RLU of DMSO positive and negative controls)]x100 or as the (RLU detected in the compound treated sample ÷ RLU of DMSO controls)x100.
10440	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) assay. The SARS-CoV-23CLpro assay measures the activity of full length SARS-CoV-23CL protease to cleave a synthetic fluorogenic substrate peptide with the following sequence: Dabcyl-KTSAVLQ-SGFRKME-Edans modelled on a consensus peptide (V. Grum-Tokars et al. Evaluating the 3C-like protease activity of SARS-coronavirus: recommendations for standardized assays for drug discovery. Virus Research 133 (2008) 63 73). The fluorescence of the cleaved Edans peptide (excitation 340 nm / emission 490 nm) is measured using a fluorescence intensity protocol on a Flexstation reader (Molecular Devices). The fluorescent signal is reduced in the present of PF-835231, a potent inhibitor of SARS-CoV-23CLpro. The assay reaction buffer contained 20 mM Tris-HCl (pH 7.3), 100 nM NaCl, 1 mM EDTA and 25 µM peptide substrate. Enzyme reactions were initiated with the addition of 15 nM SARS-CoV-23CL protease and allowed to proceed for 60 minutes at 23 oC. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity) and a control compound (100% inhibition/0% activity). IC50 values were generated using a four-parameter fit model using ABASE software (IDBS). Ki values were fit to the Morrison equation with the enzyme concentration parameter fixed to 15 nM, the Km parameter fixed to 14 µM and the substrate concentration parameter fixed to 25 µM using ABASE software (IDBS).
10440	2	Antiviral activity from SARS-CoV-2 infection	 The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay format that utilizes luciferase to measure intracellular ATP as an endpoint. In brief, VeroE6 cells that are enriched for hACE2 expression were batched inoculated with SARS-CoV-2 (USA_WA1/2020) at a multiplicity of infection of 0.002 in a BSL-3 lab. Virus-inoculated cells are then added to assay-ready compound plates at a density of 4,000 cells/well. Following a 3-day incubation, a time at which virus-induced cytopathic effect is 95% in the untreated, infected control conditions, cell viability was evaluated using Cell Titer-Glo (Promega), according to the manufacturer s protocol, which quantitates ATP levels. Cytotoxicity of the compounds was assessed in parallel non-infected cells. Test compounds are tested either alone or in the presence of the P-glycoprotein (P-gp) inhibitor CP-100356 at a concentration of 2 µM. The inclusion of CP-100356 is to assess if the test compounds are being effluxed out of the VeroE6 cells, which have high levels of expression of P-glycoprotein. Percent effect at each concentration of test compound was calculated based on the values for the no virus control wells and virus-containing control wells on each assay plate. The concentration required for a 50% response (EC50) value was determined from these data using a 4-parameter logistic model. EC50 curves were fit to a Hill slope of 3 when >3 and the top dose achieved &#8805; 50% effect. If cytotoxicity was detected at greater than 30% effect, the corresponding concentration data was eliminated from the EC50 determination.
10441	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl&#65292;1mM EDTA&#65292;2mM DTT) is incubated for 10 minutes.  Enzyme reactions were initiated with the addition of 25 uL of 25 uM fluorescent substrate (MCA-AVLQ SGFR-Lys(Dnp)-Lys-NH2). The fluorescence was measured (excitation 365 nm, emission 445 nm) in fluorimeter. IC50 values were calculated by fitting a curve of Vmax to experimental values with the controls (DMSO) as the top and bottom limits of the curve.  The curve consists of 9 concentrations of the compound; and the IC50 value is an average of 3 measurements.  GraphPad Prism is the analysis tool for all measurements.
10441	2	SARS-CoV-2 in Vero E6	Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SARS-CoV-2 (2019-nCoV/USA-WA1/2020 strain) at an MOI of 0.05. 48 hours post infection, cell viability was measured by CellTiter Glo assay.
10442	1	Determination of Antiviral Activity	The cytopathic effect (CPE) inhibition test is used for measuring the antiviral effect. Monolayer cells in 96-well plates are inoculated with 0.1 ml virus suspension containing 100 CCID50. After an hour for virus adsorption (two hours in the case of HRSV-A2) in a humidified atmosphere at 37° C. and 5% CO2, excessive virus is discarded and cells are inoculated with 0.2 mL of maintenance medium containing serial 0.5 lg dilutions of the tested preparation. Mock-infected cells are left for cell and toxicity controls. The virus CPE is scored daily by inverted light microscope (Olympus CK40, Japan) at 125× and 400× magnification on a 0-4 basis (4 representing total cell destruction) till the appearance of its maximum in the virus control wells (with no compound in the maintenance medium) the 48&#8242; hour p.i. for PV1, 72nd hour for HRSV-A2 and the 4th day (96th hour) p.i. for HAdV-2. When maximum CPE in the virus control wells is reached, cells are processed according to the neutral red procedure described above. The percent of virus CPE protection is calculated by the following formula [Pannecouque et al., 2008]:meanOD Test - meanOD VC meanOD TC - meanOD VC × 100(ODTest&#8722;ODVC)/(ODTC&#8722;ODVC)×100(%), where ODTest is the mean optical density (OD) of the test sample, ODVC the absorbance of the virus-infected control (no compound in the maintenance medium), and ODTC the OD of the mock-infected control (toxicity control).The 50% virus inhibitory concentration (IC50) is determined by applying the regression analysis with the help of Origin 6.1 computer program and it is expressed as the concentration that achieves 50% protection of virus-infected cells.
10443	1	Histone Deacetylase Assay	The inhibitory activities of compounds of present invention were determined using biochemical HDAC assays (Reaction Biology Corp. biochemical assay services). Compound with indicated doses was tested in the biochemical assays of HDAC 1, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC 8, HDAC9, HDAC10, and HDAC11 enzyme.Compounds were tested in singlicate 10-dose IC50 mode with 3-fold serial dilution starting at 10 &#956;M against 11 HDACs. HDAC reference compounds Trichostatin A (TSA) and TMP269 were tested in a 10-dose IC50 with 3-fold serial dilution starting at 10 &#956;M.Substrate for HDAC1,2,3,6,10: Fluorogenic peptide from p53 residues 379-382 (RHKK(Ac)AMC). Substrate for HDAC4,5,7,9, and 11: Fluorogenic HDAC Class2a Substrate (Trifluoroacetyl Lysine). Substrate for HDAC 8: Fluorogenic peptide from p53 residues 379-382 (RHK(Ac)K(Ac)AMC).General Reaction Procedure: (Standard IC50 determination) a. 2× enzyme was added to wells of reaction plate except to No Enzyme (No En) control wells. Add buffer in No En wells. b. Compounds to be tested in 100% DMSO were added to the enzyme mixture by Acoustic technology (Echo550; nanoliter range). The mixture was spinned down and preincubated. c. 2× Substrate Mixture (Fluorogenic HDAC Substrate and co-factor (500 &#956;M of Nicotinamide adenine dinucleotide (NAD<+>) in all Sirt assay) were added to all reaction wells to initiate the reaction. The plates were spinned and shaken. d. The plates were incubated for 1-2 hr. at 30° C. with seal. e. Developer with Trichostatin A (or TMP269 or NAD<+>) was added to stop the reaction and to generate fluorescent color. f. Fluorescence was read (excitatory, 360; emission, 460) using the EnVision Multilabel Plate Reader (Perkin Elmer) g. Endpoint reading was taken for analysis after the development reaches plateau.Data Analysis: The percentages of enzyme activity (relative to DMSO controls) and IC50 values were calculated using the GraphPad Prism 4 program based on a sigmoidal dose-response equation. The blank (DMSO) value was entered as 1.00E-12 of concentration for curve fitting.
10444	1	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LUMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
10445	1	Assay for the Determination of the Capacity to Inhibit Calpain 1	Activity of Calpain 1 was measured by using Calpain-Glo Protease kit from Promega. Assays were run in 384-well black plates with clear bottom. 5 &#956;l of compounds in a 10 mM HEPES and 1 mM EDTA aqueous solution were incubated with 15 &#956;L of a solution of 16 ng/mL calpain 1 (Sigma Aldrich) for 2 minutes and then 20 &#956;L of Calpain-Glo Reagent provided in the kit were added to each well. Luminiscence elicited by calpain 1-induced substrate lysis was measured in a Hamamatsu FDSS 7000 reader and data was calculated from the maximal luminescence peak. Calpain inhibition was calculated from the formula:% inhibition=(LT&#8722;LB)*100/(LC&#8722;LB);wherein LT is the luminescence observed in the tested compound, LB is blank luminescence obtained from a well without calpain 1 and LC is the luminescence observed in control wells including calpain1 in the absence of inhibitor. 
10446	1	Determination of the IC50 for plasma kallikrein	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 37° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10446	2	Determination of the IC50 for KLK1	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; St rzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 37° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
10448	1	Metabotropic Glutamate Receptor Activity	The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in particular mGluR4 activity, by any suitable known methodology known in the art. For example, Chinese Hamster Ovary (CHO) cells transfected with human mGluR4 or HEK cells co-transfected with rat mGluR4 and the G-protein regulated Inwardly Rectifying Potassium channel (GIRK) were plated in clear bottom assay plates for assay in a Hamamatsu FDSS Fluorometric Plate Reader. The cells were loaded with either a Ca2+-sensitive fluorescent dye or the thallium responsive dye and the plates were washed and placed into a suitable kinetic plate reader. For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. Approximately two and a half minutes later, a concentration of mGluR4 orthosteric agonist (e.g. glutamate or L-AP4) eliciting approximately 20% (EC20) of the maximal agonist response was added to the cells, and the response was measured. Two minutes later, a concentration of mGluR4 agonist (e.g. glutamate or L-AP4) eliciting 80% (EC80) of the maximal agonist response was added to the cells, and the response was measured. For rat mGluR4/GIRK experiments, a baseline was established for approximately five seconds, disclosed compounds were added, and either an EC20 or EC80 concentration of agonist was added approximately two and one half minutes later. Potentiation of the agonist response of mGluR4 by the disclosed compounds was observed as an increase in response to the EC20 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound. Similarly, antagonism of the agonist response of mGluR4 by the disclosed compounds was observed as a decrease in response to the EC80 concentration of agonist in the presence of compound compared to the response to agonist in the absence of compound.
10449	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
10450	1	Fluorescence Polarization (FP) VHL Binding Assay	The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL/Elongin B/C protein complex used in the assay was generated as follows. The coding region for amino acids E55-D213 of human VHL with N-terminal His6 tag with a TEV-protease cleavage site was co-expressed with Elongin B (residues M1-Q118) and Elongin C (Residues M17-C112) in E. coli. The VHL/Elongin B/C complex was purified using an affinity nickel column, anion exchange HiTrap QP HP column chromatography, and gel filtration using a Superdex 75 26/60 column. The purified VHL/Elongin B/C complex was dialyzed into formulation buffer: 20 mM Bis-Tris pH7.0, 150 mM NaCl, 1 mM DTT. A VHL fluorescence polarization probe (prepared in Example 91), consisted of a VHL ligand coupled to carboxytetramethylrhodamine (TAMRA); (2S,4R) N-(2-(2-(3&#8242;,6&#8242;-bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9&#8242;-xanthene]-5-carboxamido)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxy-1-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide. The Kd of the VHL fluorescence polarization probe binding to VHL/Elongin B/C was 18.2 nM. Compounds were prepared as a serial dilution in DMSO at a concentration 25-fold higher than the final desired concentration and acoustically dispensed (400 nl) into a ProxiPlate-384 Plus F, Black 384-shallow well Microplate (Part Number 6008260). DMSO was dispensed into wells designated for VHL control (without compound) wells. The Assay Buffer consisted of 50 mM Tris pH 8.0, 120 mM NaCl, 0.005% Nonidet P-40, and 1% DMSO (v/v). Assay Buffer containing 5.28 &#956;M VHL Elongin B/C complex was prepared and 5 &#956;l dispensed using a BioRapTR (Beckman Coulter) into each well of the assay plate. Assay Buffer was also dispensed into no VHL control wells using the same method. A pre-assay fluorescence measurement was made using an Infinite M1000 (Tecan) plate reader (Excitation 530 nm, Emission 574 nm, Bandwidth 10 nm). Assay Buffer containing 3.34 nM of the VHL FP probe was prepared in Assay Buffer and 5 &#956;l dispensed into each well of the assay plate using a BioRapTR (Beckman Coulter). The final VHL/Elongin B/C protein concentration is 2.64 nM and the final probe concentration is 1.67 nM. Assay plates were briefly centrifuged and incubated for 1 hour at room temperature. Post-assay fluorescence polarization measurements were made as described for the pre-assay fluorescence measurement. Fluorescence polarization was calculated for each sample; taking into account the pre-assay fluorescence measurements and subtracting the fluorescence signal of the compound/VHL only ( pre-assay ) measurements from the post-assay fluorescence polarization measurements, for each plane of polarization. The data were analyzed using Genedata Screener software and normalized to the no VHL control and VHL control (without compound). IC50 values were calculated using a four parameter curve fit (Robust method).
10450	2	Surface Plasmon Resonance Assay	Using a Biacore T200, Avidin tagged VHL co-expressed with Elongins B and C were immobilized to a Biacore SA chip in running buffer without DMSO. Compounds were tested individually at varying concentrations in running buffer (50 mM HEPES pH 7.2, 150 mM NaCl, 0.5 mM TCEP, 0.001% Tween 20, 0.2% PEG3350, 2% DMSO) at 20° C. Sensorgrams were run in order from low to high concentration using a flow rate of 80 &#956;L/min. Association and disassociation times were varied depending on the estimated potency of the compound tested. All sensor chips were monitored for loss of activity with the injection of a control compound ((2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, which is Compound 7 in C. Galdeano et al, J. Med. Chem. 2014, 57, 8657-8663, herein incorporated by reference) which retained greater than 75% of the activity over the course of the run. Analysis of the binding curves and determination of the kinetic parameters were done using evaluation software (Version 2.0, Biacore).
10450	3	VHL HEK-293 BRET Assay	The VHL NanoBRET Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL NanoBRET tracer reversibly bound to a NanoLuc VHL fusion protein stably expressed in the cells.Test compounds were transferred to the assay plate (384 Well White Non-Binding Corning Assay Plates (Corning-3574)) using an Echo 555 Liquid Handler (Labcyte) in 2.5 nL increments and, as appropriate, intermediate stock concentrations of compounds, in order to prepare a titration series. 50 nL of control compound (10 mM; parental unlabeled VHL antagonist; see structure below) and 50 nL of DMSO (negative control) were dispensed into the appropriate control wells. DMSO was backfilled to a final volume of 50 nL as required. 50 nl per well of 1 mM VHL NanoBRET Tracer in DMSO (NanoBRET Tracer-PEG2-590 (see structure below)) was transferred into each well using an Echo 555 (ultimately yielding a final concentration of 1 uM). HEK 293 RT VHL-NanoLuc stable cells were cultured in DMEM High Glucose with Pyruvate, 10% fetal bovine serum, 2 mg/mL of Geneticin Selective Antibiotic (50 mg/ml) and 2 mM HEPES (1 M). Cells were seeded in Opti-MEM (Life Technologies-11058-021), 1.7×105 cells/mL, 40 &#956;l per well into the assay plate, centrifuged at 500 rpm for 30 seconds and incubated for 2 hours. Max Signal control wells consisted of DMSO only treated wells. Minimum Signal control wells contained of 10 uM parental unlabeled VHL antagonist (control compound see structure below). 3× Complete Substrate plus Inhibitor Solution was prepared in Opti-MEM (consists of a 1:166 dilution of NanoBRET Nano-Glo Substrate plus a 1:500 dilution of Extracellular NanoLuc Inhibitor in Opti-MEM), and 20 ul was dispensed into each well of the 384-well plate and centrifuged at 1000 rpm for 1 minute, then incubated for 2 minutes at room temperature. Background Signal control wells were prepared without tracer for background correction steps.Plates were read using a PerkinElmer Envision Reader (model 2104-0020) equipped with Luminescence option (Mirror: BRET2 Enh (PE Barcode 659), Emission Filter: Omega 610LP (Barcode 504), 2nd Emission Filter: Umbelliferone 460 (Barcode 207), Measurement height: 6.5 mm, Measurement time: 1 s). The raw BRET ratio values were calculated by dividing the acceptor emission value (610 nm) by the donor emission value (460 nm) for each sample. To correct for background, the BRET ratio in the absence of tracer (average of no-tracer control samples) was subtracted from the BRET ratio of each sample. Raw BRET units were converted to milliBRET units (mBU) by multiplying each raw BRET value by 1,000. The normalized NanoBRET signal was calculated relative to the Max Signal control wells (DMSO treated control wells) and the Minimum Signal control wells. Percentage inhibition was calculated relative to the Minimum Signal control and Maximum Signal control wells. IC50 values were derived by four parameter curve fitting using the Robust method.
10451	1	HEK-Blue-hTLR 7 Cells Assay	A stable HEK-Blue-hTLR7 cell line was purchased from InvivoGen (Cat. #: hkb-htlr7, San Diego, Calif., USA). These cells were designed for studying the stimulation of human TLR7 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene was placed under the control of the IFN-3 minimal promoter fused to five NF-&#954;B and AP-1-binding sites. The SEAP was induced by activating NF-&#954;B and AP-1 via stimulating HEK-Blue-hTLR7 cells with TLR7 ligands. Therefore the reporter expression was regulated by the NF-&#954;B promoter upon stimulation of human TLR7 for 20 hrs. The cell culture supernatant SEAP reporter activity was determined using QUANTI-Blue kit (Cat. #: rep-qbl, Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple or blue in the presence of alkaline phosphatase.HEK-Blue-hTLR7 cells were incubated at a density of 250,000-450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/L glucose, 50 U/mL penicillin, 50 mg/mL streptomycin, 100 mg/mL Normocin, 2 mM L-glutamine, 10% (V/V) heat-inactivated fetal bovine serum for 24 hrs. Then the HEK-Blue-hTLR-7 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hrs. Then 20 &#956;L of the supernatant from each well was incubated with 180 L Quanti-blue substrate solution at 37° C. for 2 hrs and the absorbance was read at 620-655 nm using a spectrophotometer. The signalling pathway that TLR7 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR7 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002)).
10451	2	HEK-Blue-hTLR8 Cells Assay	A stable HEK-Blue-hTLR8 cell line was purchased from InvivoGen (Cat. #: HEK-Blue-htlr8, San Diego, Calif., USA). These cells were designed for studying the stimulation of human TLR8 by monitoring the activation of NF-&#954;B. A SEAP (secreted embryonic alkaline phosphatase) reporter gene was placed under the control of the IFN-3 minimal promoter fused to five NF-&#954;B and AP-1-binding sites. The SEAP was induced by activating NF-&#954;B and AP-1 via stimulating HEK-Blue-hTLR8 cells with TLR8 ligands. Therefore the reporter expression was regulated by the NF-&#954;B promoter upon stimulation of human TLR8 for 20 hrs. The cell culture supernatant SEAP reporter activity was determined using QUANTI-Blue kit (Cat. #: rep-qb 1, Invivogen, San Diego, Ca, USA) at a wavelength of 640 nm, a detection medium that turns purple or blue in the presence of alkaline phosphatase.HEK-Blue-hTLR8 cells were incubated at a density of 250,000-450,000 cells/mL in a volume of 180 &#956;L in a 96-well plate in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM) containing 4.5 g/L glucose, 50 U/mL penicillin, 50 mg/mL streptomycin, 100 mg/mL Normocin, 2 mM L-glutamine, 10% (V/V) heat-inactivated fetal bovine serum for 24 hrs. Then the HEK-Blue-hTLR8 cells were incubated with addition of 20 &#956;L test compound in a serial dilution in the presence of final DMSO at 1% and perform incubation under 37° C. in a CO2 incubator for 20 hrs. Then 20 &#956;L of the supernatant from each well was incubated with 180 &#956;L Quanti-blue substrate solution at 37° C. for 2 hours and the absorbance was read at 620-655 nm using a spectrophotometer. The signalling pathway that TLR8 activation leads to downstream NF-&#954;B activation has been widely accepted, and therefore similar reporter assay was also widely used for evaluating TLR8 agonist (Tsuneyasu Kaisho and Takashi Tanaka, Trends in Immunology, Volume 29, Issue 7, July 2008, Pages 329.sci; Hiroaki Hemmi et al, Nature Immunology 3, 196-200 (2002)).
10452	1	TBD	TBD
10453	1	Determination of EC50 values using a Ca2+ mobilization in vitro assay on recombinant human mGlu4 expressed in HEK293 cells	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5×104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist (2S)-2-amino-4-phosphonobutanoic acid (L-AP4) was added to the cells at a concentration corresponding to EC20 with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC20 of L-AP4 was determined immediately ahead of each experiment by recording of a full dose-response curve of L-AP4. Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-AP4), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-AP4. Graphs were plotted with the % maximal stimulatory using XLfit, a curve fitting program that iteratively plots the data using Levenburg Marquardt algorithm. The single site competition analysis equation used was y=A+((B-A)/(1+((x/C)D))), where y is the % maximal stimulatory effect, A is the minimum y, B is the maximum y, C is the EC50, x is the log 10 of the concentration of the competing compound and D is the slope of the curve (the Hill Coefficient). From these curves the EC50 (drug concentration at which 50% of the maximal receptor activation was achieved), the Hill coefficient as well as the maximal response in % of the maximal stimulatory effect obtained with saturating concentrations of L-AP4 were calculated.
10454	1	Gal4 Ligand Binding Assay	Compounds of the present invention were tested in a human ROR&#947; ligand binding assay using a commercially available cell based ligand binding reporter assay in 96-well format (Cat #1304001, INDIGO Biosciences, State College, Pa.). The N-terminal DNA binding domains (DBD) of the native ROR&#947; and ROR&#947;t receptors have been substituted with that of the yeast GAL4-DBD and stably transfected in HEK293T cells that also stably express luciferase under the regulation by upstream activation sequence of yeast Gal4. These cells constitutively express high level ROR&#947; activity due to binding of endogenous co-factors. Both agonist and inverse agonist activity can be detected. The assay was performed according to kit manufacturer&#39;s instructions as follows. 10 mM compound stocks were diluted serially 1:3 with DMSO and further diluted with provided media to generate 10 titration points from 60 &#956;M to 3 nM. These treatment conditions were added to the plates as 2× media in 100 &#956;L volume. Each plate includes a positive control with 10 titration points as well as 6 negative control wells with vehicle only, with final DMSO concentration of 0.2%. ROR&#947; reporter cells were rapidly thawed and added to the plates in 100 &#956;L volume. The plates were incubated for 24 h in a 37° C. humidified 5% CO2 incubator. Media was removed before the addition of room temperature luciferous detection substrate. After 5 minute incubation, relative light units (RLUs) were quantified using a plate reading luminometer. Data was normalized to positive control wells with only 0.2%0DMSO. Before establishing internal controls, ursolic acid was used as control.
10455	1	BCL6-BTB-SMRT Peptide Inhibition Fluorescence Polarization (FP) Screen	This assay was used to determine whether compounds inhibit the interaction between the BTB domain of BCL6 and a peptide derived from the BCL6 binding domain (BBD) of the SMRT/NCOR2 corepressor proteinCompounds were dissolved in 100% DMSO at 10 mM, assayed fresh, and then stored at &#8722;20° C. for repeat studies and future work. The reaction mixture was made up of 1.25 &#956;M of the 25 kd BCL6-BTB domain (Thioredoxin-His6-STag-TEV-biotinylation-thrombin-BCL6 amino acids 1-129) plus 20 nM of the peptide probe (Ac-GSLVATVKEAGRSIHEIPA, SEQ ID NO:1) with 16aa from the SMRT BBD (1414-1429) with a Bodipy-TMR fluorescent label on the lysine. The assay buffer was 10 mM HEPES pH 7.4, 150 mM NaCl, 0.05% Tween-20, 3 mM EDTA, and had a final DMSO concentration of 5%. 20 &#956;l of this assay mixture was added to each well of the 384 well plates with the exception of the control wells that contained no protein (for setting the minimum FP value). Compounds were directly sprayed using an HP D300 Digital Dispenser from 10 mM DMSO stocks onto black 384 well plates (greiner bio-one #781900) in a concentration range from 1 &#956;M to 500 &#956;M (10 points in duplicate). The assay was equilibrated for 1 hour prior to reading the FP values (Ex 540 nm/Em 580 nm) with a Perkin Elmer Envision plate reader. The results were curve fitted and IC50 values were calculated using the BioAssay software from CambridgeSoft. Representative compounds display IC50<1 uM in this assay (NB: lower limit of this assay was 1 uM).
10456	1	USP14 Inhibition Assay	Using previously described methodology [B. H. Lee et al. Nature 2010, 467 (9), 179, the contents of which are expressly incorporated by reference herein], select compounds described herein were found to inhibit USP14. 
13281	1	Verification of Target Protein Inhibition by Synthesized Hit Compound Derivatives	Specifically, 20 u M of protein A was incubated along with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 10 mM magnesium acetate, 10 μM [gamma-33P]-ATP, and 10 μM YRRAAVPPSPSLSRHSSPHQSEDEEE, which is a phosphorylation target peptide. After incubation at room temperature for 40 minutes, the reaction was terminated by adding phosphoric acid to a final concentration of 0.5%. The reaction mixture was spotted onto a filter, then washed four times with 0.425% phosphoric acid for 4 minutes each. After washing once with methanol, the sample was dried and measured for radioactivity (scintillation counting) to assess phosphorylation (i.e., YRRAAVPPSPSLSRHSSPHQS(p)EDEEE peptide detection).
13282	1	Affinity (KD) and the IC50 of CC10501, CC70601, and BTB13068 Fragments	The affinity of the three fragments for RTA was determined using Biacore T200 at 12.5, 25, 50, 100, and 200 μM in triplicate measurements. Due to the lower affinity and propensity to aggregate at higher concentrations, the data for CC10501 and CC70601 were fitted with the “Steady State Affinity Constant Rmax model” using 69% surface activity calculated on the basis of the binding affinity of the P6 peptide. CC10501 and CC70601 had similar KD values of 270 and 404 μM, respectively, while BTB13068 had a slightly lower KD of 150 μM. The 50% inhibitor activity (IC50) was determined by qRT-PCR.
13283	1	CSK Inhibition Assay	Test compound was dissolved in DMSO at 10 mM. 45 uL of compound was transferred into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 11-point dilutions. The same volume of DMSO was adopted as high control. 20 nL of these compounds DMSO dilutes were dispensed into a new 384-well assay plate by Echo 550. CSK protein (2.15 nM, SignalChem, cat #C63-10G), florescent labeled substrate FLPeptide22 (2 μM, PerkinElmer, cat #760366) was prepared in kinase assay buffer (50 mM HEPES (pH 7.5), 10 mM MgCl2, 10 mM MnCl2, 0.01% Brij-35, 2 mM DTT and 0.005 mg/mL BSA). 15 uL of kinase assay buffer containing CSK protein and substrate was transferred to assay plate and incubated at RT for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control to monitor the background. 4 μM of ATP was prepared in kinase assay buffer and 5 μL of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 μL of 0.5 M EDTA.
13283	2	LCK Inhibition Assay	Test compound was dissolved in DMSO at 10 mM. 45 uL of compound was transfer into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 11-point dilutions. The same volume of DMSO was adopted as high control. 20 nL of these compounds DMSO dilutes were dispensed into a new 384-well assay plate by Echo 550. LCK protein (0.50 nM, Cama Biosciences, cat #08-170), florescent labeled substrate FLPeptide4 (2 μM, PerkinElmer, cat #760348) was prepared in kinase assay buffer (50 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% Brij-35, 2 mM DTT and 0.005 mg/ml BSA). 15 uL of kinase assay buffer containing LCK protein and substrate was transferred to assay plate and incubate at RT for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control to monitor the background. 400 μM ATP was prepared in kinase assay buffer and 5 μL of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 μL of 0.5 M EDTA.
13284	1	Enzymatic Chymase Activity Assay	Table 1: Recombinant human chymase protein and recombinant hamster chymase (Protein Technologies, Bayer Healthcare) were used. Cleavage of substrate Abz-HPFHL-Lys(Dnp)-NH2 (10 μM) in assay buffer Tris 50 mM (pH 7.5), NaCl 150 mM, BSA 0.10%, Chaps 0.10%, glutathione 1 mM, EDTA 1 mM with either 3 nM of recombinant human chymase or 1.2 nM of recombinant hamster chymase was monitored in a fluorescent reader (excitation 340 nm, emission 465 nm). The data were normalised (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition). Normally test compounds were tested on the same microtiter plate at 9 different concentrations in the range of 10 μM to 1 nM (10 μM, 3.1 μM, 1.0 μM, 0.3 μM, 0.1 μM, 0.03 μM, 0.01 μM, 0.003 μM, 0.001 μM). IC50 values were calculated using an in-house software
13284	2	Enzymatic Activity Assay	Table 2: Recombinant human cathepsin G (CathG) protein (Protein Technologies, Bayer A G) was used. Cleavage of substrate DABCYL-Ser-Thr_Leu-Ser-Glu-Lys_Ala_Lys_Pro_Ala-Glu (EDANS) (3 μM) in assay buffer Hepes 100 mM (pH 7.0), NaCl 50 mM, BSA 0.01%, Tween 20 0.001%, glutathione 0.3 mM with recombinant CathG (2.5 nM) was monitored in a fluorescent reader (excitation 334 nm, emission 536 nm). The data were normalized (enzyme reaction without inhibitor=0% inhibition, all other assay components but no enzyme=100% inhibition).Test compounds were diluted in dimethylsulfoxide (DMSO) to final assay concentrations of 0-50 μM. The respective human serine protease and the respective substrate were diluted in buffer solutions (pH 7.4) consisting of 50 mM Tris/HCl, 100 mM NaCl, 5 mM CaCl2, and 0.1% bovine serum albumin to the final concentrations given below. Diluted test compound or DMSO (1 μL) in assay buffer (20 μL), diluted serine protease solution (20 μL), and substrate solution (20 μL) were added to 384-well microtiter plates (Greiner Bio-One, Frickenhausen, Germany). Fluorescence (excitation 360 nm, emission 460 nm) was measured using a microtiter plate fluorescence reader (SaEire II, Tecan, Maennedorf, Switzerland) for 30 minutes at room temperature. The concentration oftest compound producing 50% inhibition ofserine protease activity (C50) was determined via a nonlinear logistic regression model.
13290	1	FP Binding assay	Binding of compounds with PAD4 enzyme was detected by FP assay. PAD4 enzyme was diluted to 1 uM in assay buffer (100 mM HEPES, 50 mM NaCl, 1 mM DTT, 5% Glycerol and 1 mM CHAPS) and added to wells containing various concentration of compounds or DMSO vehicle (1%) in a 384 well black plate. 10 nM of fluorescein labelled probe (JPAD-00085) was added to the plate. Assay plate was incubated for 60 minutes at room temperature before measuring FP reading at FP module (ex 485/2em 535 nm) on Pherastar. IC50 was calculated using XL-fit software model 205. 
13291	1	KAT6A and KAT6B Biochemical Assay	Testing for the inhibition activities of various compounds disclosed herein was carried out at room temperature in assay buffer containing 100 mM Tris/HCl Ph7.8, 15 mM NaCl, 0.01% chicken egg white albumin, 1 mM DTT and 0.01% Tween-20. Compounds in DMSO were dispensed into wells of a black, 384-well plate (Corning 4514) using ECHO555 (Beckman). The final concentration ranges of the test compounds were 0.0625-1,000 nM, 0.625-10,000 nM, or 0.313-5,000 nM. Five μL of KAT6A or KAT6B enzyme solution were added to wells, and the plate was incubated for 1 hour at room temperature (rt). After incubation for 1 hour at rt, 5 μL H4 and AcCoA substrate solutions were added to the wells to initiate reaction, and the plate was incubated. After 2 hours reaction, 5 μL detection reagent were added to the wells, and the plate was incubated for 2 hours. After two hours incubation, detection reagent containing 5 nM Anti-histone H4 antibody (ABCAM #ab177790), 100 μM formic acid (sigma #06473-100ML), 0.1 test/μL streptavidin-XL665 (PerkinElmer #610SAXLG), 0.05 test/μL PAb anti-rabbit IgG-Eu (PerkinElmer μ61PARKLA) was added to the wells. TR-FRET was measured on a microplate reader (PHERAstar FSX, BMG labtech).
13285	1	CHK-1 Kinase Assay	IC50 values of compounds for inhibition of CHK-1 kinase or percent inhibition at defined concentrations were determined by Z-LYTE™ based TR-FRET assay. Kinase reactions were performed in a 10 μL volume in low-volume 384-well plates. The concentration of substrate (Ser Thr 19) was maintained at 2 μM in the assay, and the kinase reaction buffer consisted of 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 2 mM DTT. Serially diluted compounds (3-fold) in DMSO (0.5% in final reaction) were incubated with cocktail of CHK-1 kinase (5 ng/ml; Cat #P3040, ThermoFisher), substrate Ser Thr 19, (2 μM; Cat #PV4529, ThermoFisher), ATP (53 μM; Cat #PV3227, ThermoFisher) and buffer. Kinase reactions were allowed to proceed for 1 hour at room temperature after which 5 μL of a 1:256 dilution of Development Reagent A was added. The plate was allowed to incubate at room temperature for 60 minutes before being read on a BMG Pherastar plate reader using the Z-LYTE™ filter block for Z-LYTE™ TR-FRET.
13286	1	Kinase Activity Assay	First, 10 ng of recombinant CDK4/cyclin D1 (Life Technologies PV4204) was diluted in a kinase buffer (20 mM Tris pH7.5, 10 mM MgCl2, 0.01% NP-40, 2 mM DTT), and incubated at room temperature for 30 minutes together with indicated concentration of inhibitors. The kinase reaction was initiated by the addition of 1 μg (1.5 μM) of recombinant retinoblastoma protein, 5 μM ATP and 10μ Ci γ-32P-ATP. The reaction was incubated at 30° C. for 20 minutes, and the reaction was stopped by the addition of 2× Laemmli sample buffer, heated at 95° C. for three minutes, and dissolved in 12% acrylamide SDS-PAGE for autoradiography. The corresponding phosphorylated substrate protein bands were quantified using a densitometer (Bio-Rad). The resulting density values were plotted as a function of log drug concentration using Prism 4 Graphpad software, and IC50 values were determined by plotting a non-linear regression curve with a variable slope. The compounds disclosed herein were tested in a similar manner for their inhibitory activities against CDK6/cyclin D1, CDK2/cyclin A, CDK5/cyclin P25, CDK9/cyclin Ti, CDK7/cyclin H and CDK19/cyclin C.
10458	1	KinaseGlo Assay	Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), plus or minus 2 mM CaCl2 14. The phosphorylation reaction mixture of 40 &#956;M peptide substrate (Syntide-2, peptide sequence: Pro-Leu-Ala-Arg-Thr-Leu-Ser-Val-Ala-Gly-Leu-Pro-Gly-Lys-Lys (SEQ ID NO: 12)) (GenScript, Piscataway, USA), 19.48 nM of 14 TgCDPK1, 90 to 0.0005 &#956;M serial dilutions of inhibitor in a total volume of 25 &#956;l, was initiated by the addition of 10 &#956;M ATP. The reaction was terminated after 30 minutes incubation at 30° C. by addition of excess EGTA (5 mM final concentration). Internal positive and negative controls were included in each assay run. 
10458	2	Luminescent Kinase Assay	Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 peptide substrate (KinaseGlo. Notably, both kinases were tested at the same ATP concentration which allows direct comparison of inhibitor potencies due to these enzymes possessing similar Kms for this cofactor. 
10459	1	Inhibition Assay	Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared in phosphate buffer at a concentration of 5 mM. Separate stock solutions of each substrate were prepared in DMSO:MeCN (50:50 v/v), mixed, and diluted in phosphate buffer to obtain a single solution containing each substrate at five times its experimentally determined Km concentration. 
10460	1	Enzyme Inhibition Assay	Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino acids 831-1132), or JAK3 (amino acids 781-1124) under buffer conditions of 50 mM HEPES pH 7.3, 1 mM DTT, 0.01% Tween 20, 50 &#956;g/mL BSA, and 10 mM MgCl2. JAK enzyme was expressed as an N-terminal GST fusion in insect cells and purified by glutathione-affinity and size-exclusion chromatographies. Enzymes were assayed both at their respective ATP Km (JAK1: 55 &#956;M, JAK2: 15 &#956;M, JAK3: 3 &#956;M) and the approximated high end of physiological ATP concentration of 5 mM, in the presence of inhibitor dosed at 30, 3, 0.3, 0.03, 0.003 and 0 &#956;M final test concentrations. For JAK1, 6 nM of enzyme (for Km ATP assay) or 4 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2 (SEQ ID NO:1), Intonation, Boston, Mass.). For JAK2, 0.8 nM of enzyme (for Km ATP assay) or 0.3 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). For JAK3, 0.2 nM of enzyme (for Km ATP assay) or 0.1 nM enzyme (for high ATP assay) was incubated with 1.5 &#956;M peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2 (SEQ ID NO:2), Intonation, Boston, Mass.). Phosphorylated and unphosphorylated peptides were separated and quantified by a Caliper LC3000 system (Caliper Life Sciences, MA) for calculating percent inhibition.
10461	1	Biological Assay	To optimize p97 inhibitors, the C-5 trifluoromethylated trifluoromethylated indole 12 was generated as a promising lead structure. In the ADP-Glo assay, it was determined that this compound exhibits a 5.96±1.66 &#956;M IC50 value (Table 1), after which the effect of replacing the CF3 with an SF5-group at the C-5 position as shown for compound 13 was explored. The ADP-Glo assay can be conducted as described in Chou, T.-F.; Bulfer, S. L.; Weihl, C. C.; Li, K.; Lis, L. G.; Walters, M. A.; Schoenen, F. J.; Lin, H. J.; Deshaies, R. J.; Arkin, M. R., Specific inhibition of p97/VCP atpase and kinetic analysis demonstrate interaction between D1 and D2 ATPase domains. J. Mol. Biol. 2014, 426, 2886-2899.
10462	1	FRET Activity Assay	Expression and purification of the FXR-LBD: An overnight preculture of a transformed E. coli strain was diluted 1:20 in LB-Ampicillin medium and grown at 30° C. to an optical density of OD600=0.4-0.6. Gene expression was then induced by addition of 0.5 mM IPTG. Cells were incubated an additional 6 h at 30° C., 180 rpm. Cells were collected by centrifugation (7000×g, 7 min, rt). Per liter of original cell culture, cells were resuspended in 10 mL lysis buffer (50 mM Glucose, 50 mM Tris pH 7.9, 1 mM EDTA and 4 mg/mL lysozyme) and left on ice for 30 min. Cells were then subjected to sonication and cell debris removed via centrifugation (22000×g, 30 min, 4° C.). Per 10 mL of supernatant 0.5 mL prewashed Glutathione 4B sepharose slurry (Qiagen) was added and the suspension kept slowly rotating for 1 h at 4° C. Glutathione 4B sepharose beads were pelleted by centrifugation (2000×g, 15 sec, 4° C.) and washed twice in wash buffer (25 mM Tris, 50 mM KCl, 4 mM MgCl2 and 1M NaCl). The pellet was resuspended in 3 mL elution buffer per liter of original culture (elution buffer: 20 mM Tris, 60 mM KCl, 5 mM MgCl2 and 80 mM glutathione added immediately prior to use as powder). The suspension was left rotating for 15 min at 4° C., the beads pelleted and eluted again with half the volume of elution buffer than the first time. The eluates were pooled and dialysed overnight in 20 mM Hepes buffer (pH 7.5) containing 60 mM KCl, 5 mM MgCl2 as well as 1 mM dithiothreitol and 10% (v/v) glycerol. The protein was analysed by SDS-Page.
10463	1	TR-FRET Binding Assay	His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement of a biotinylated small molecule compound with the target using the TR-FRET assay technology (Perkin-Elmer). Specifically, in a 384 well ProxiPlate CBP (4 nM final) was combined with biotin-ligand (60 nM final) in 50 mM HEPES (pH 7.5), 50 mM NaCl, 1 mM TCEP, 0.01% (w/v) BSA, and 0.008% (w/v) Brij-35 either in the presence of DMSO (final 0.2% DMSO) or compound dilution series in DMSO. After 10 minutes incubation at room temperature, a mixture Eu-W1024 Anti-6xHis antibody (6xHis is disclosed as SEQ ID NO: 3) (Perkin Elmer ADO 110) and SureLight Allophycocyanin-Streptavidin (APC-SA, Perkin Elmer CR130-100) were added to a final concentrations of 0.2 nMolar antibody and 50 nMolar APC-SA, respectively. After twenty minutes of equilibration, the plates were read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
10464	1	Enzyme Assay	AXL: Compounds of Formula I were screened for their ability to inhibit AXL kinase using Invitrogen&#39;s LanthaScreen Eu Kinase Binding technology. His-tagged recombinant human AXL cytoplasmic domain was incubated with 20 nM Alexa-Fluor Tracer 236 (PR9078A), 2 nM biotinylated anti-His (Cat. No. M4408), and 2 nM europium-labeled Streptavidin (Cat. No. PV5899) along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using a concentration of control compound that completely inhibits the enzyme. The POC values are fit to a 4 parameter logistic curve and the IC50 value is point where the curve crosses 50 POC.
10464	2	Enzyme Assay	MER: Compounds of Formula I were screened for their ability to inhibit MER kinase using Invitrogen&#39;s LanthaScreen Eu Kinase Binding technology. His-tagged recombinant human MER cytoplasmic domain (5 nM) was incubated with 20 nM Alexa-Fluor Tracer 236 (PR9078A), 2 nM biotinylated anti-His (Cat. No. M4408), and 2 nM europium-labeled Streptavidin (Cat. No. PV5899) along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using a concentration of control compound that completely inhibits the enzyme. The POC values are fit to a 4 parameter logistic curve and the IC50 value is point where the curve crosses 50 POC.
10464	3	Enzyme Assay	TYRO3: Compounds of Formula I were screened for their ability to inhibit TYRO3 kinase using Invitrogen&#39;s LanthaScreen Eu Kinase Binding technology. GST-tagged recombinant human TYRO3 kinase domain from Carna (5 nM; Cat. No. PR7480A) was incubated with 20 nM Alexa-Fluor Tracer 236 (PR9078A) and 2 nM Europium-anti-GST (Cat. No. A15116) along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO. Compounds are typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using a concentration of control compound that completely inhibits the enzyme. The POC values were fit to a 4 parameter logistic curve and the IC50 value is point where the curve crosses 50 POC.
10465	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Mel)-QTARKSTGGKAPRKQLA-GGK(Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1× LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech).
10466	1	Human Factor B Assay	CVF-Bb complex is prepared from purified cobra venom factor (1 &#956;M); human Complement factor B and human Complement factor D are available from a commercial source (Complement Technology, Tyler, Tex.). CVF-Bb complex at 3 nM concentration is incubated with test compound at various concentrations for 10 minutes at room temperature in PBS pH 7.4 containing 10 mM MgCI2 and 0.05% (w/v) CHAPS. Human Complement C3 substrate (Complement Technology, Tyler, Tex.) is added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction is stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, is quantified by means of an enzyme-linked-immunosorbent assay (Quidel, San Diego, Calif.) and/or denaturing gel electrophoresis (SDS-PAGE). IC50 values are calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration.
10467	1	Surface Plasmon Resonance (SPR) Assay	Surface plasmon resonance data was collected on a Biacore T200 or 3000 system (GE Healthcare) at 25° C. Streptavidin was immobilized on a CMS (GE Healthcare) or CMD500d sensor chip (XanTec Bioanalytics) using standard amine-coupling chemistry at 25° C. with HBS-N (10 mM HEPES, 0.15 M NaCl, pH 7.4) as the running buffer. Briefly, the carboxymethyl dextran surface was activated with a 12 min injection of a 1:1 ratio of 0.4 M 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC)/0.1 M N-hydroxy succinimide (NHS) at a flow rate of 10 &#956;L/min. For capture of streptavidin, protein was diluted to 0.2 mg/mL in 10 mM sodium acetate (pH 4.5) and captured by injecting 100 &#956;L onto the activated chip surface. Residual activated groups were blocked with a 7 min injection of 1 M ethanolamine (pH 8.5). Avi-tagged PCSK9 protein was captured on the streptavidin surface by injection of 150 &#956;L of protein diluted to 16 &#956;g/mL in HBS-N, 0.05% tween-20, 0.1 mM CaCl2. Typical surface densities obtained were 8000-10000 RU. SPR binding data were obtained using an appropriate dilution series of each compound at a flow rate of 30 &#956;L/ min, with a capture time of 100 s and dissociation times of 300 s. Running buffer for compound binding studies was HBS-N, 0.05% tween-20, 0.1 mM CaCl2, 4% DMSO. Data were corrected for DMSO excluded volume effects. All data were double-referenced for blank injections and reference surface using standard processing procedures and data processing and kinetic fitting were performed using Scrubber software, version 2.0c (BioLogic Software).
10468	1	Kinase Inhibitory Activity Assay	The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained in the above Example, and the results are shown in Table 1 below. The kinase inhibitory activity was measured by the following method:1. Each kinase was incubated with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 250 &#956;M KKKGQEEEYVFIE (SEQ ID NO: 1), 1 mM sodium orthovanadate, 5 mM sodium-6-glycerophosphate, 10 mM magnesium acetate, and [&#951;-33P]-ATP.2. The compound to be evaluated (DMSO solution) and Mg/ATP were added to proceed the reaction.3. After about 40 minutes at room temperature, the reaction was stopped by the addition of 10 &#956;L of 0.5% phosphoric acid.4. 10 &#956;L of 0.5% reaction solution was spotted onto a P30 filtermat.5. Washed 4 times for about 4 minutes in 0.425% phosphoric acid. Washed once in methanol, and then dried and analyzed by scintillation counting to measure IC50 value.
10469	1	Enzymatic Activity of Wee1	In the present disclosure, Wee1 enzyme catalysis assay was carried out using the ATP-Glo Max kinase luminescence detection kit (Promega). Kinase activity was assessed by quantitative detection of the amount of ATP retained in the solution following the kinase reaction. The luminescent signal in the assay is proportional to the amount of ATP and inversely proportional to the kinase activity. The concentration of the compound in the assay ranged from 0.5 nM to 30 &#956;M. The compound was dissolved in 10% DMSO, and 5 &#956;L of the solution was added to 50 &#956;L of the reaction, and the concentration of DMSO in the final reaction was 1%. The reaction was carried out at 30° C. for 50 minutes. 40 mM trishydroxymetyl aminomethane, pH 7.4, 10 mM MgCl2, 0.1 mg/ml BSA, 2 mM DTT, 0.1 mg/ml Poly (Lys, Tyr) substrate, 10 &#956;M ATP and Wee1 were contained in the reaction mixture. After the enzymatic reaction, 50 &#956;L of ATP-Glo Max kinase luminescence detection assay solution (Promega) was added and incubated for 15 minutes at room temperature. The luminescent signal was measured using a microplate reader. In some assays, a known Wee1 inhibitor was added as a positive control. Luminance data was analyzed using Graphpad software. 
10470	1	Enzyme Assay	Inhibition of PARP-1 enzymatic activities was measured using an HT Universal Colorimetric PARP Assay Kit (Trevigen, catalogue #4677-096-K) following the standard procedures. Serial dilutions of PARP compounds were added to appropriate wells. The compound was incubated with PARP enzyme at RT for 10 min, and the reaction was initiated by addition of the PARP substrate cocktail, Each concentration of compound was tested in triplicate wells. After 15 min reaction, the reaction was stopped, and the Strep-HRP was added into each well and incubated for 1 h at RT. After addition of TACS-Sapphire colorimetric substrate and incubated in dark for 15 min, the OD450 was read out with an EnVision instrument. IC50 values (the concentration at which 50% of the enzyme activity is inhibited) were calculated, which are determined over a range of different concentrations, normally from 10 uM to 0.1 nM.
10471	1	In-Vitro Radioligand Binding Assasy	Example 2: Determination of Ki Value at 5-HT6 ReceptorCompound was tested at MDS pharma services and Novascreen according to the following procedures.Materials and Methods:Receptor source: Human recombinant expressed in Hela cellsRadioligand: [3H]-LSD (60-80 Ci/mmol)Final ligand concentration [1.5 nM]Non-Specific Ligand: 5 &#956;M Serotonin (5-HT)Reference compound: Methiothepin mesylatePositive control: Methiothepin mesylateIncubation conditions: Reactions were carried out in 50 mM Tris-HCl (pH 7.4) containing 10 mM MgCl2, 0.5 mM EDTA for 60 minutes at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT6 binding site.
10471	2	In-Vitro Radioligand Binding Assasy	Example 3: Determination of Ki Value at 5-HT2A ReceptorCompound was tested according to the following procedures.Materials and Methods:Receptor source: Recombinant mammalian cellsRadioligand: [3H]-Ketanserine (47.3 Ci/mmol)Final ligand concentration [1.75 nM]Non-Specific Ligand: 0.1 mM 1-Naphthylpiperazine (1-NP)Reference compound: 1-Naphthylpiperazine (1-NP)Positive control: 1-Naphthylpiperazine (1-NP)Incubation conditions: Reactions were carried out in 67 mM Tris-HCl (pH 7.4) for 1 hour at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT2A binding site.
10472	1	Inhibitory Ability Assay	The composition of the assay buffer used in the activity measurement was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, 0.1% BSA, 1 mM DTT. The enzymatic reaction was carried out hereto by using the peptide substrate labeled with ATP of 50 mM concentration and biotin of 0.5 mM concentration. The analysis of an EGFR activity inhibitory effect of the compound was carried out in accordance with the analysis reaction recipe below.Component 1: 4 ml of EGFR wild-type or mutation enzymeComponent 2: 2 ml of compound solutionComponent 3: 4 ml of peptide labeled with ATP and biotinThe enzymatic reaction was initiated by mixing Component 1 and Component 2 first, and then, adding component 3. After the reaction for 2 hours at 37° C., 10 ml of a measurement solution consisting of streptavidin-XL665 provided by Cisbio and anti-phosphotyrosine antibody labeled with europium was added to the enzymatic reaction solution and reacted for 1 hour at ambient temperature. Finally, the ratio of fluorescence values at 615 nm and 665 nm was obtained by using the Envision equipment of Perkin-Elmer, and the enzymatic activity was quantitatively measured, and the inhibitory ability of the compound was confirmed. The measurement values measured at the seven concentrations of the compound were analyzed by using the Prism program (version 5.01, Graphpad Software, Inc.), and IC50 value of the compound was calculated, which is an inhibitory ability indicator.
10473	1	Enzymatic Assay	Fluorogenic biochemical assays used recombinant full-length FEN-1 or catalytic domains of Exo1, XPG or GEN1 and 200 nM of a DNA substrate (formed by annealing three oligonucleotides quencher (5&#8242;-CAC GTT GAC TAC CGC TCA ATC CTG ACG AAC ACA TC-BHQ2), flap (5&#8242;-TAMRA-GA TGT CAA GCA GTC CTA ACT TTG AGG CAG AGT CCG C) and template (5&#8242;-GC GGA CTC TGC CTC AAG ACG GTA GTC AAC GTG-3&#8242;) (PMID: 21062821)) in 50 mM Tris pH 8.0, 10 mM MgCl2, 1 mM DTT, and 0.01% Tween-20. Inhibitors arrayed in dose response were added from DMSO stocks (using a V&P 384-pintool head) to the enzyme solution in low volume, black polystyrene 384-well plates (Corning #3677) 15 minutes prior to the addition of the DNA substrate. Reactions were allowed to proceed for 2-4 hours at 25° C. or 37° C. Fluorescence data (Excitation: 530 nm/10 nm bandwidth; Emission: 590 nm/20 nm bandwith) were measured with an Infinite M1000 plate reader (Tecan).
10474	1	Spectrophotometrical In Vitro Assay	The activity of compounds 1-19 and 21-23 as inhibitors of ACMSD1 was determined by measuring the conversion of 3OH-Anthranilic Acid into product (i.e., ACMS) in a spectrophotometrical in vitro assay.The pre-assay mixture consisting of 3-hydroxyanthranilic acid (3OH-HA), 3-hydroxyanthranilic acid, 3,4-diOxygenase (HAO), and a dialyzed crude extract of E. coli BL21 (DE3) cells expressing the recombinant enzyme, was incubated at 25° C. with monitoring of the increase in absorbance at 360 nm due to the formation of ACMS from 3OH-HA. After the reaction was completed within 2 mins, an aliquot of ACMSD1 solution (prepared and purified from Pichia Pastoris overexpressing the recombinant enzyme) was added, and the decrease in absorbance at 360 nm was followed at 15 second intervals. The effect of ACMS concentration on the enzyme activity was investigated by varying 3OH-HA concentration from 2 to 20 &#956;M. Kinetic parameters were calculated from the initial velocity data by using the Lineweaver-Burk plot.The rate of the decrease in absorbance caused by ACMSD1 was calculated by subtracting that of the control reaction mixture without ACMSD from that described above. One unit of ACMSD activity was indicated as the amount of enzyme that converts 1 mmol of ACMS per minute at 25° C. The absence or a reduction of ACMSD1 activity (e.g., by using ACMSD inhibitors) results in a slow ACMS-spontaneous degradation (i.e., cyclization to form quinolic acid).
10475	1	transient human FXR/Gal4-luciferase reporter assay	A Gal4-hFXR fusion construct reporter system was used as the primary assay to characterize compound activity. A construct including 5 copies of the Gal4 promoter response element upstream of a firefly luciferase reporter cDNA was stably expressed in HEK293 cells. This reporter cell line was maintained in Dulbecco&#39;s Modified Eagle&#39;s medium (DMEM; Gibco) supplemented with 1% penicillin-streptomycin (P/S) solution, 500 &#956;g/mL Zeocin and 10% charcoal/dextran-treated fetal bovine serum (cs-FBS) at 37° C. in a humidified 5% CO2 atmosphere. Another plasmid was constructed in which the human cytomegalovirus promoter in the pcDNA3.1 vector directs the expression of the cDNA encoding a fusion protein comprised of the DNA binding domain from the Gal4 transcription factor fused to the ligand binding domain from human FXR.The day prior to transfection, the reporter cells in culture are detached from the plate with trypsin and plated into a T75 flask at a sufficient density to achieve approximately 90% confluence the next morning. The transfection reagents are prepared by separately diluting 25 &#956;g of the pcDNA3.1-Gal4-FXR plasmid into 1.87 mL of Opti-MEM (Thermo-Fisher), and 40 &#956;L of Lipofectamine 2000 (Thermo-Fisher) into 1.87 mL of Opti-MEM, and then adding the diluted DNA solution into the diluted Lipofectamine 2000 solution and incubating at room temperature for 15-20 minutes. The mixture is further diluted with 10 mL of a solution comprised of DMEM, 10% cs-FBS, and 1% P/S immediately prior to transferring to the cells. The maintenance culture media is aspirated from the cells and the final transfection mixture is added before the cells are incubated overnight at 37° C. in a humidified 5% CO2 atmosphere. This protocol can be scaled up, and the transiently transfected cells can be cryopreserved in an assay-ready format.For compound testing, 100 nL of the compounds (serial dilutions in DMSO) are dispensed with an Echo acoustic dispenser (Labcyte) into the wells of a Corning/Costar clear bottom 384-well white plate. The transfected cells are harvested, counted, and diluted such that 10-25,000 cells in 25 &#956;L are plated into each well of the 384-well compound assay plate. The compound-treated cells are incubated overnight at 37° C. in a humidified 5% CO2 atmosphere. The next morning 25 &#956;L of Steady-Glo (Promega) are added to each well of the plate, the mixture is incubated for 15 min. with shaking, and luminescence is measured on an Envision (Perkin Elmer) plate reader. Background counts from cells treated with DMSO alone are subtracted from all raw counts, and the corrected values are converted to a percentage of the control response attained with 8 &#956;M GW-4064. These data are fit to a 4-parameter log agonist-response equation to calculate an EC50 value.
10476	1	AlphaLISA Assay	AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin Elmer). Assay was performed according to manufacturer protocol.
10477	1	JAK Caliper Enzyme Assay at 1mM ATP	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
10478	1	Biochemical JAK Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
10479	1	Radioligand Binding Assay	A second A2A adenosine receptor radioligand binding assay protocol was used. The protocol used adenosine A2a (human) membrane (PerkinElmer RBHA2AM400UA) at a concentration of 5 &#956;g/well/100 &#956;l and the radioligand [3H] CGS-21680 (Cat No. PerkinElmer-NET1021250UC) at a final concentration of 6 nM. Testing compounds were diluted with DMSO to make 8-point 4-fold serial dilution, starting at 0.2 mM. CGS-15943 was the reference compound. 1 &#956;l of compounds/high control/low control was transferred to the assay plate according to a plate map, followed by 100 &#956;l of membrane stocks and 100 &#956;l of radioligand, in assay buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4). The plate was sealed and incubated at RT for 2 hours. Unifilter-96 GF/C filter plates (Perkin Elmer Cat #6005174) were soaked with 50 &#956;l of 0.3% PEI per well for at least 0.5 hour at room temperature. When the binding assays were completed, the reaction mixtures were filtered through GF/C plates using Perkin Elmer Filtermate Harvester, and each plate washed 4 times with cold wash buffer (50 mM Tris-HCl, 154 mM NaCl, pH 7.4). The filter plates were dried for 1 hour at 50 degrees. After drying, the bottom of the filter plate wells was sealed, 50 &#956;l of Perkin Elmer Microscint 20 cocktail was added, and the top of the filter plate was sealed. 3H trapped on the filter was counted using Perkin Elmer MicroBeta2 Reader. The data were analyzed with GraphPad Prism 5 to obtain binding IC50 values. The Inhibition [% Control] was calculated using the equation: % Inh=(1&#8722;Background subtracted Assay value/Background subtracted HC value)*100, where HC is high control.
10480	1	Biochemical Inhibition Activity Assay	The biochemical inhibition activity of the synthesized compounds on LSD1 was measured. The activity measurement was performed using LSD1 fluorescence analysis kit (available from BPS Bioscience Co., Ltd., Catalog No: 50106). This analysis kit is designed to measure activity of LSD1 enzyme. H2O2 generated upon demethylation of Lys4 moiety of histone H3 by LSD1 is reacted with HRP/Amplex Red reagent to form fluorescent Resorufin, which is measured by this kit, thereby confirming demethylation.
10481	1	Biochemical Assay	Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.0020 Tween20, 1 mM TCEP, 1% DMSO) for 10-dose IC50mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 30 &#956;l in assay buffer, with 300 nM histone H4 based AcH4-23 (Anaspec: AS-65002) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 2.5 nM and the compounds were allowed to preincubate for 20 minutes at 37° C. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer: NET155001MC) to final concentration of 1 &#956;M. Following a 30 minutes incubation at 37° C., the reaction was stopped by adding 25 &#956;L of 8M Guanidine HCl. Prepare streptavidin YSI SPA beads (Perkinelmer: RPNQ0012) at 0.3 mg/mL in assay buffer. To each reaction, add 150 &#956;L of SPA beads suspension, and incubated while shaking at room temperature for 30 minutes. The plate was centrifuged at 100×g for 30 second before reading in a scintillation counter.
10482	1	Activity Assay	Compounds (Adenosine Receptor modulators) and activity assay.
10483	1	FLIPR Assay for hTRPV4 Expressed in BHK Cells	TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium were monitored using a calcium specific fluorescent dye Fluo-4 (MDS Analytical Technologies). BHK/AC9 cells transduced with BacMam virus expressing the human TRPV4 gene at a MOI of 78 were plated in a 384 well poly-D lysine coated plate (15,000 cells/well in 50 &#956;L culture medium containing DMEM/F12 with 15 mM HEPES, 10% FBS, 1% Penicillin-Streptomycin and 1% L-glutamine). Cells were incubated for 24 hours at 37° C. and 5% CO2. Culture medium was then aspirated using a Tecan plate-washer and replaced with 20 &#956;L/well of dye loading buffer: HBSS, 500 &#956;M Brilliant Black (MDS Analytical Technologies), and 2 &#956;M Fluo-4 AM. Dye loaded plates were then incubated in the dark at room temperature for 1 1.5 hours. 10 &#956;L of test compounds diluted in HBSS (with 1.5 mM Calcium Chloride, 1.5 mM Magnesium Chloride and 10 mM HEPES, pH 7.4)+0.01% Chaps was added to each individual well of the plate, incubated for 10 min at room temperature in the dark and then 10 &#956;L of agonist (N ((S)-1-(((R)-1-((2-cyanophenyl)sulfonyl)-3-oxoazepan-4-yl)amino)-4-methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxamide, (Thorneloe et al, Sci. Transl. Med. (2012), 4, 159ra148) (hereinafter: Agonist Compound) was added to have a final concentration equals to the agonist EC80. Calcium signals were measured using FLIPRTETRA (MDS Analytical Technologies) or FLIPR384 (MDS Analytical Technologies) and the inhibition of Agonist Compound-induced calcium signal by the test compound was determined.
10484	1	Experiment of the compounds on activation of transient transfected PPAR alpha in HEK293 cells	HEK293 cells were incubated in DMEM medium containing 10% of fetal bovine serum at 37° C. in the presence of 5% of CO2. 3×105/ml cells were plated in each well of the 6-well plate. When the cell convergence degree reached 50%-80%, 5 &#956;g of liposome PGL4.35 and 5 &#956;g of expression plasmid pcDNA3.1(+)-GAL4-hPPAR &#945; were added to transfect the cells for 24 h and then the cells were collected. The transfected cells were plated in the 96-well plate and the compounds of the application in different concentrations were added, incubated for 24 h, and Bright Glo Luciferase Assay System reagent was added for luciferase assay. In cells transfected with plasmids and treated with compounds, luciferase activity was increased. The induction of luciferase activity indicated that the compound of the application is PPAR &#945; agonist. EC50 values of the compound of the application on transfected HEK293 cells were calculated by GraphPad software.
10484	2	Experiment of the Compounds on Activation of Transient Transfected PPAR delta in HEK293 Cells	HEK293 cells were incubated in DMEM medium containing 10% of fetal bovine serum at 37° C. in the presence of 5% of CO2. 3×105/ml cells were plated in each well of the 6-well plate. When the cell convergence degree reached 50%-80%, 5 &#956;g of liposome PGL4.35 and 5 &#956;g of expression plasmid pcDNA3.1(+)-GAL4-hPPAR &#948; were added to transfect the cells for 24 h and then the cells were collected. Then, the transfected cells were plated in the 96-well plate and the compounds of the application in different concentrations were added, incubated for 24 h, and Bright Glo Luciferase Assay System reagent for luciferase assay was added. In cells transfected with plasmids and treated with compounds, luciferase activity was increased. The induction of luciferase activity indicated that the compound of the application is PPAR &#948; agonist. EC50 value of the compound of the application on transfected HEK293 cells were calculated by GraphPad software.
10484	3	n Vitro Safety Test	The effect of the compound on hERG potassium ion channel was tested by Predictor hERG fluorescence polarization. 
10485	1	Human O-GlcNAcase enzyme inhibition assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#916;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
10486	1	CDK8 Biochemical Assay	Assay-ready plates (ARPs; Proxiplate-384 PLUS, white, PerkinElmer) with compound solution in 100% DMSO are generated on an Access Labcyte Workstation with the Labcyte Echo 55x. 150 nL of compound solution are transferred per well in 11 concentrations in duplicates with serial 1:5 dilutions. The final DMSO concentration in the assay is 1%.5 nM (final assay concentration) CDK8/cyclin C, 2 nM (final assay concentration) Biotin anti-His Tag Antibody and 2 nM (final assay concentration) LanthaScreen Eu-Streptavidin are mixed in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, 1 mM DTT) prior to use and kept at room temperature.The assay runs on a fully automated robotic system. 10 &#956;L of CDK8/cyclin C, Biotin anti-His Tag Antibody and LanthaScreen Eu-Streptavidin mix are dispensed into columns 1-24. 5 &#956;L of 10 nM (final assay concentration) Kinase Tracer 236 solution in assay buffer are added to columns 1-23, 5 &#956;L of assay buffer into column 24. Plates are kept at room temperature in a darkened incubator. After 60 min incubation time the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the TR-FRET specs from PerkinElmer.Each plate contains 16 wells of a negative control (diluted DMSO instead of test compound; CDK8/cyclin C, Biotin anti-His Tag Antibody and LanthaScreen Eu-Streptavidin mix w Kinase Tracer 236; column 23) and 16 wells of a positive control (diluted DMSO instead of test compound; CDK8/cyclin C, Biotin anti-His Tag Antibody and LanthaScreen Eu-Streptavidin mix w/o Kinase Tracer 236; column 24). A known inhibitor of CDK8/cyclin C binding is used as internal control. IC50 values are calculated and analyzed in the MEGALAB IC50 application using a 4 parametric logistic model.
10487	1	Biochemical Activity Testing of PDHK2	The biochemical activity assay for PDHK2 is based on the inactivation of PDC through phosphorylation by PDHK2. The assay is run in two steps: the enzymatic PDHK2 reaction in which isolated PDC is phosphorylated by PDHK2 with ATP as co-substrate and the PDC activity assay in which pyruvate and NAD are converted to acetyl-CoA and NADH. The PDC activity correlates to the increase in NADH and thereby is detectable directly via the increasing fluorescence signal (Exc 340 nm, Em 450 nm). Inhibition of PDHK2 results in a lower phosphorylation status and thereby a less decrease in activity of PDC and a stronger increase in NADH fluorescence signal.The PDC inactivation assay is performed in Greiner 384-well microtiter plates and is used for high throughput screen. 4 &#956;l of PDHK2 (human, rec, Carna Bioscience, 10 ng/&#956;l-137 nM final concentration) and PDC (isolated from porcine heart, Sigma-Aldrich, 20 mU/ml final concentration) are incubated in the absence or presence of the test compound (10 dilution concentrations) for 30 min at room temperature in kinase buffer (15 mM potassium phosphate buffer, pH 7.0, 60 mM KCl, 1.5 mM DTT, 2.5 mM MgCl2, 0.0125% (w/v) BSA, 0.125% Pluronic F-68). The kinase reaction is started by the addition of 4 &#956;l ATP substrate solution (fc 5 &#956;M in kinase buffer). After 30 min incubation at 37° C. 40 &#956;l of PDC reaction solution (100 mM Tris/HCl, pH 7.8, 0.5 mM EDTA, 1 mM MgCl2, 50 mM NaF, 0.25 mM Coenzyme A, 5 mM pyruvate, 1 mM NAD, 5 mM DTT, 1 mM thiamine pyrophosphate) is added. The first fluorescence measurement is performed on a Perkin Elmer Envision (Exc 340 nm, Em 450 nm). The reaction is incubated for 45 min at room temperature. Afterwards a second fluorescence measurement is performed and the PDC activity is calculated by the difference between both measurements. As full value for the PDHK2 assay the inhibitor-free PDHK2 reaction is used. The pharmacological zero value used is DCA (Sigma-Aldrich) in a final concentration of 3 mM. The inhibitory values (1050) were determined using either the program Symyx Assay Explorer or Condosseo from GeneData.
10489	1	Test Method of EC50 of Anti HBV	8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full wells. Old liquid medium can be removed and replaced with new medium (200 &#956;L) on day 0.Formulating the compound and treating the cells in the experiment of anti virus: the compound was dissolved in DMSO to a concentration of 30 mM, and then the compound solution was diluted with DMSO to a concentration of 800M, and then eight dilutions at 4 fold were performed, the highest concentration is 800 &#956;M. The serial diluted compound was added to the above plate at 1 &#956;L per well, the highest final concentration in the experiment is 4 &#956;M (200 fold dilution). TDF (tenofovir dipiroxil fumarate, Selleck, Cat S1400) has a highest concentration of 4 &#956;M as a positive control. 1 &#956;L of DMSO was added in to the positive control well at a final concentration of 0.5%, TDF was added in to the positive control well at a final concentration of 1 &#956;M.Detection of Viral Genomic DNA by qPCRPrimer: HBV-For-202, CAGGCGGGGTTTTTCTTGTTGA; HBV-Rev-315, GTGATTGGAGGTTGGGGACTGC. Copies of virus can be calculated using a standard curve plotted by using plasmid containing HBV genome and using SYBR Premix Ex Taq II Takara DRR081S kit and 1 &#956;L cell culture supernatant as a template. EC50 values of the compound on viral replication were calculated by a four parametric nonlinear regression model using Graphpad Prism 5 software to manage concentration viral copy number.
10490	1	In Vitro c-Met Kinase Enzyme Assays	Compounds were screened in vitro for their ability to inhibit c-Met kinase activity. The IC50 values of compounds for the inhibition of c-Met kinase were determined as described in the literature with some modifications (Wang, X. et al, Mol. Cancer Ther. 2003, 2(11): 1085-1092; Calic, M. et al., Croatica Chemical ACTA. 2005, 78(3):367-374). Briefly, histidine-tagged c-Met catalytic domain fusion protein (Invitrogen, #PV3143) was used for the assay. IC50 measurements were based on the degree of phosphorylation of poly Glu-Tyr (Sigma-Aldrich, #P0275) that was coated (0.01 mg/per well) on 96-well microplates (R&D systems, #DY990). The reaction was carried out in a 50 &#956;L solution containing 50 mM HEPES (pH 7.5), 10 mM MnCl2, 10 mM MgCl2, 0.5 mM DTT, 100 &#956;M Na3VO4, 5 &#956;M ATP (Cell Signaling Technology, #9804) and serial dilutions of individual compounds. The reaction lasted for 25 minutes at 30° C. After the reaction was completed, the contents of the plates was discarded. Plates were then washed with TBS-T (250 &#956;L/well, 5×) and then blocked with TBS-T containing 1% BSA for 2 hours. The contents of the plates was discarded, and 100 &#956;L (per well) of peroxidase-labeled anti-phospho-tyrosine antibody (Sigma, #A5964) diluted (1:60,000) in 1% BSA containing TBS-T were then added and incubated for 1 hour. Plates were washed with TBS-T (250 &#956;L/well, 5×) and followed by the color reaction using 100 &#956;L (1:1 mixture) of H2O2 and tetramethylbenzidine (R&D Systems, #DY999). The reaction was stopped in minutes with 100 &#956;L of 2 N H2SO4. The optical density was measured immediately using a microplate reader at 450 nm with wavelength correction at 540 nm. IC50 values were calculated with the GraphPad Prism software. The linear range (i.e., the time period over which the rate remained equivalent to the initial rate) was determined for the kinase and IC50 determinations were performed within this range. Wang, X., et al. Potent and selective inhibitors of the Met [hepatocyte growth factor/scatter factor (HGF/SF) receptor] tyrosine kinase block HGF/SF-induced tumor cell growth and invasion. Mol. Cancer Ther. 2003, 2(11): 1085-1092. Calic, M., et al. Flavonoids as inhibitors of Lck and Fyn kinases. Croatica Chemica ACTA. 2005, 78(3):367-374.
10491	1	Steroid Inhibition of TBPS Binding	TBPS binding assays using rat brain cortical membranes in the presence of 5 &#956;M GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987, 241, 346-353; Hawkinson et al, Mol. Pharmacol. 1994, 46, 977-985; Lewin, A. H et al., Mol. Pharmacol. 1989, 35, 189-194).Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na-K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
10491	2	The biochemical evaluation of the exemplary compounds 	This assay is not specified.
10492	1	Inhibitory Assay	The IC50 values for the tested compounds were determined as previously described [2, 3], with minor modifications. Briefly, in 96-well tissue culture plates, 2.4x104 Vero-E6 cells were distributed in each well and incubated overnight at a humidified 37° C. incubator under 5% CO2 condition. The cell monolayers were then washed once with 1xPBS. An aliquot of the SARS-CoV-2 "NRC-03-nhCoV" virus [40] containing 100 TCID50 was incubated with serial diluted compounds and kept at 37° C. for 1 h. The Vero-E6 cells were treated with virus/compound mix and co-incubated at 37° C. in a total volume of 200 uL per well. Untreated cells infected with virus represented the virus control; however, cells that were not treated and not infected were the cell control. Following incubation at 37° C. in 5% CO2 incubator for 72 h, the cells were fixed with 100 uL of 10% paraformaldehyde for 20 min and stained with 0.5% crystal violet in distilled water for 15 min at RT. The crystal violet dye was then dissolved using 100 uL of absolute methanol per well and the optical density of the color was measured at 570 nm using the Anthos Zenyth 200 rt plate reader (Anthos Labtec Instruments, Heerhugowaard, the Netherlands). The IC50 of the compound refers to a concentration of the compound required to reduce the virus-induced cytopathic effect (CPE) by 50%, relative to the virus control.
10493	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 111 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.31 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer. 
10494	1	Biological Assay	Serial dilutions (&#8531;) from 1000 &#956;M down to 0.051 &#956;M of test compounds were prepared in dimethyl sulfoxide (DMSO). Then 2 &#956;L of solution from each dilution were added to 100 &#956;L of 4 nM full-length human His-HTRA1 in assay buffer (50 mM Tris, pH 7.5, 200 mM NaCl and 0.25% 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate or CHAPS) in white non-binding 96-well plates. The assay solutions were mixed for 5 seconds on a shaker plate and incubated for 10 minutes at room temperature. Mca-H2OPT (Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys-OH trifluoroacetate salt) (Mca=7-methoxycoumarin-4-acetic acid; Dnp=dinitrophenyl) (5 M) in 100 &#956;L of assay buffer was added to the assay solutions. The reaction mixture was shaken for 5 seconds on a shaker plate and cleavage of Mca-H2OPT was monitored by spectrofluorometry (SpectraMax M3 by Molecular Devices, Calif.) for 10 minutes (Ex&#955;=330 nm; Em&#955;=420 nm). Percent inhibition was calculated by fitting values to a standard mathematical model for determining the dose response curve.
10495	1	Kinase Inhibition Assay	Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of pre-diluted compounds in duplex, and allowed to stand at room temperature for 30 minutes. The corresponding substrate and ATP were added and reacted at room temperature for 60 minutes (in which negative and positive controls were set). After the reaction was completed, an antibody was added for detection. After incubation for 60 minutes at room temperature, detection was carried out with Evnvision and data were collected. The enzyme activity in the presence of each concentration of the compounds disclosed herein was determined by Evnvision microplate reader, and the inhibitory activity of the compounds at different concentrations on the enzyme activity was calculated. Then, according to the four-parameter equation, the inhibitory activity of the compounds at different concentrations on the enzyme activity was fitted using Graphpad 5.0 software, and the IC50 value was calculated.
10496	1	Pharmacological Activity Assay	The IC50 values (concentration causing a half-maximal inhibition of control specific binding) was determined by non-linear regression analysis of the competition curves generated with mean replicate values using Hill equation curve fittingY = D + [ A - D 1 + ( C / C 50 ) nH ]where Y=specific binding, A=left asymptote of the curve, D=right asymptote of the curve, C=compound concentration, C50=IC50, and nH=slope factor. This analysis was performed using software developed at EUROFINS Cerep Company (Hill software) and validated by comparison with data generated by the commercial software SigmaPlot 4.0 for Windows ( 1997 by SPSS Inc.).The inhibition constants (Ki) were calculated using the Cheng Prusoff equationK i = IC 50 ( 1 + L / K D )where L=concentration of radioligand in the assay, and KD=affinity of the radioligand for the receptor. A scatchard plot is used to determine the KD.
10497	1	Biological Activity Assay	WT EGFR and EGFR [L858R/T790M] kinase assay: WT EGFR or EGFR [L858R/T790M] kinase was mixed with different concentrations of pre-diluted compounds for 10 minutes in 5× Kinase Buffer A in duplicate. The corresponding substrate and ATP were added and reacted at room temperature for 20 minutes (in which a negative and a positive control were set: the negative control is blank and the positive control is AZD9291). After the reaction, the detection reagent (the reagent in the HTRF Kinase TK kit) was added, and after incubation at room temperature for 30 minutes, the enzyme activity in the presence of the compounds of the present disclosure at each concentration was measured by an Evnvision microplate reader, and the inhibition of the enzyme by the compound at each concentrations were calculated. The inhibitions of the enzyme activity by the compounds at different concentrations were then fitted using Graphpad 5.0 software according to the four-parameter equation, and the IC50 values were calculated.
10498	1	Biological Assay	The Gal-3 assays were performed in 384 white Opti plates in three replicates at room temperature with gentle shaking at 250-300 rpmFrom the original stocks, 2.525× working stock concentrations of His-tagged recombinant human Gal-3 (hGal-3) and that of B-ASF were prepared. From the working stock, 20 &#956;l of hGal-3 (15 nM) and 20 &#956;l B-ASF (15 nM) were added to the plates. In Negative Control, only hGal-3 was added. A concentration range of 50× working stocks were prepared for the compounds in 100% DMSO. Aliquots of 1 uL of the compounds were added to the wells and pre-incubated with 20 &#956;l hGal-3 per well for 30 minutes Then 20 &#956;l B-ASF wereadded and incubated for another 1 hour. To detect the signal, 5 &#956;L (final conc. of 1.0 nM) terbium labelled Anti-His antibody was added and incubated for 30 min followed by adding 5 &#956;L (final conc. of 20 nM) Streptavidin d2 and incubation for another 1 hour. The assay signal was detected using HTRF screen protocol (Excitation wavelength=340 nm, emission wavelength=615 nm/665 nm) on Envision 2104 Multilabel Reader. Data analysed using Toolset and Curve Master. Results are reported in the experimental section (IC50 in &#956;M).
10499	1	Inhibitory Activities Assay	(1) Preparation of 1×Kinase buffer; (2) Preparation of the gradient concentrations of the compounds: the concentration of the compounds to be tested started from 10 &#956;M, which was 3-fold diluted to prepare 10 dilutions, and then tested in duplicated wells. The compounds were 100-fold serially diluted into 10 dilutions with different final concentrations in 96-well plates, each of which was further diluted with 1×Kinase buffer to prepare an intermediate dilution having a concentration of 5 times the final concentration; (3) adding 5 &#956;L of each of the prepared compound solution into the compound wells of 384-well plates, and each concentration set single well; adding 5 &#956;L of 5% DMSO into negative control wells and positive control wells respectively; (4) preparing a kinase solution having a concentration of 2.5 times the final concentration with 1×kinase buffer; (5) adding 10 &#956;L of kinase solution at a concentration of 2.5 times the final concentration into the compound wells and the positive control wells respectively; and adding 10 &#956;L of 1×Kinase buffer into the negative control wells; (6) centrifuging at 1000 rpm for 30 seconds, and incubating at room temperature for 10 minutes after shaking and mixing evenly; (7) preparing a mixed solution of ATP and Kinase substrate 22 having a concentration of 2.5 times the final concentration with 1×Kinase Buffer; (8) adding 10 &#956;L of the mixed solution of ATP and substrate at a concentration of 2.5 times the final concentration to initiate the reaction; (9) Centrifuging the 384-well plates at 1000 rpm for 30 seconds, and incubating at 28° C. for corresponding time respectively after shaking and mixing; (10) adding 30 &#956;L of stop detection solution to stop the kinase reaction, centrifuging at 1000 rpm for 30 seconds, and shaking and mixing the mixture evenly; (11) reading the conversion rate by Caliper Ezreader II. The dose-effect curve was fitted by the log (inhibitor) vs. response-variable slope of GraphPad Prism 5 with the log value of concentration as the X axis and the percentage inhibition rate as the Y axis, then the IC50 value of each compound on the enzyme activity was obtained.
10500	1	ELISA Assay	An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 &#956;M ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking. The assay buffer consisted of 25 mM MOPS pH 75, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 &#956;g/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL). After the addition of 1M phosphoric acid, the chromogenic substrate color intensity was quantitated via absorbance at 450 nm. IC50 values were calculated using either a 4 or 5-parameter logistic curve fit.
10501	1	AlphaLISA	Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired concentrations. 5 nM BDR4-BD1 enzyme (produced in-house) and 12 nM of biotinylated substrate were added to the wells, covered and incubated at room temperature (RT) for 1 h. At the end of 1 h 250 ng of GSH acceptor beads were added to the well and incubated for 1 h at RT; then 500 ng of streptavidin donor beads were added and incubated again for 1 h at RT. Plates were read in a Pherastar reader at 680 nm excitation and 570 nm emission. As detailed above, compounds were tested for both BRD4 enzyme inhibitory activities and IC50 were determined. The activities of selected compounds are listed in Table 1 Anticancer activity: Alamar Blue AssayThe impact of the compounds on cancer cell proliferation was determined using the AML cell line MV4-11 (ATCC) in a 3-day proliferation assay. MV4-11 cells were maintained in RPMI supplemented with 10% FBS at 37° C., 5% CO2. For compound testing, MV4-11 cells were plated in a 96-well black bottom plate at a density of 15,000 cells/well in 100 &#956;L culture media and incubated at 37° C. overnight. Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 100 &#956;M to 0.005 &#956;M. The DMSO dilution series were then diluted with media, with the final compound concentrations added to the wells ranging from 10 &#956;M to 0.0005 &#956;M. After the additions of compounds, the cells were incubated for 72h and the numbers of viable cells were determined using the Alamar Blue assay (Invitrogen), according the manufacturer suggested protocol. 
10502	1	Inhibitory Activity Assay	Streptavidin (manufactured by Vector Laboratories) was dissolved in a 0.1M carbonate buffer solution (composition: 90 nM Na2CO3, 10 mM NaHCO3) to a concentration of 40 &#956;g/ml, Each 50 &#956;l of this solution was added to a well of an immunoplate (manufactured by NUNC), this is allowed to stand at 4° C. overnight to adsorb. Then, each well was washed with a phosphate buffer (composition: 13.7 mM NaCl, 0.27 mM KCl, 0.43 mM Na2HPO4, 0.14 mM KH2PO4) two times, and 300 &#956;l of a phosphate buffer containing 1% skim milk to block it for 30 minutes. Further, each well was washed with a phosphate buffer two times, 50 &#956;l of a substrate DNA solution (2 pmol/&#956;l) was added to adsorb at room temperature for 30 minutes while shaking, and this was washed with a phosphate buffer two times and, then, distilled water once.
10503	1	Enzymatic Assay	IDO1: Recombinant full-length human IDO1 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is incubated at a final concentration of 2 nM in assay buffer consisting of 37.5 mM phosphate buffer at pH6.5 supplemented with 10 mM sodium L-ascorbate, 0.45 &#956;M methylene blue, 50 U/ml catalase, 0.01% BSA, and 0.01% Tween 20 (protocol modified from Seegers et al, JBS 2014). Example compounds are serially diluted in DMSO, further diluted in phosphate buffer, and added to the enzyme at final concentrations ranging from 10 &#956;M to 0.5 nM. The final DMSO concentration is 0.6%. Following a pre-incubation of 30 minutes at RT, the reaction is started by the addition of L-tryptophan at a final concentration of 5 &#956;M in assay buffer. After 30 minutes of incubation at RT, 3 &#956;L of the reaction mixture are transferred to a 384 deep well plate containing 25 &#956;L of deionized water. 100 &#956;l of 200 nM L-Tryptophan-(indole-d5) in cold 100% methanol are added followed by a 10 minutes centrifugation at 4,000 rpm at 4° C. An additional 75 &#956;L of deionized water are then added and followed by a 10 minutes centrifugation at 4,000 rpm at 4° C. The product of the reaction N&#8242;-Formylkynurenine (NFK) is quantified by LCMS and normalized to the L-Tryptophan-(indole-d5) signal. Samples with 0.6% DMSO (0% effect) and a TDO/IDO inhibitor (100% effect) are used as control samples to set the parameters for the non-linear regression necessary for the determination of the half-maximal inhibitory concentration (IC50) for each compound. For each compound concentration the percentage of activity compared to 0% and 100% effect is calculated as average ±STDEV (each concentration measured in duplicate). IC50 values and curves are generated with XLfit software (IDBS) using Dose-Response One Site model 203 (four parameter logistic curve model). When compounds are measured multiple times, mean values are given.
10503	2	Enzymatic Assay	TDO2: Recombinant human TDO comprising amino acids 19-407 with a N-terminal hexahistidine tag expressed in E. coli and purified to homogeneity is incubated at a final concentration of 15 nM in assay buffer consisting of 75 mM phosphate buffer at pH7 supplemented with 100 &#956;M ascorbic acid, 50 U/ml Catalase, 0.01% BSA, and 0.01% Tween 20 (protocol modified from Seegers et al, JBS 2014). Example compounds are serially diluted in DMSO, further diluted in phosphate buffer, and added to the reaction mixture at final concentrations ranging from 10 &#956;M to 0.5 nM. The final DMSO concentration is 0.6%. Following a pre-incubation of 30 minutes at RT, the reaction is started by the addition of L-tryptophan at a final concentration of 200 &#956;M in assay buffer. After 30 minutes of incubation at RT, 3 &#956;L of the reaction mixture are transferred to a 384 deep well plate containing 25 &#956;L of deionized water. 100 &#956;l of 200 nM L-Tryptophan-(indole-d5) in cold 100% methanol are added followed by a 10 minutes centrifugation at 4,000 rpm at 4° C. An additional 75 &#956;L of deionized water are then added and followed by a 10 minutes centrifugation at 4,000 rpm at 4° C. The product of the reaction N&#8242;-Formylkynurenine (NFK) is quantified by LCMS and normalized to the L-Tryptophan-(indole-d5) signal. Samples with 0.6% DMSO (0% effect) and a TDO/IDO inhibitor (100% effect) are used as control samples to set the parameters for the non-linear regression necessary for the determination of the half-maximal inhibitory concentration (IC50) for each compound. For each compound concentration the percentage of activity compared to 0% and 100% effect is calculated as average±STDEV (each concentration measured in duplicate). IC50 values and curves are generated with XLfit software (IDBS) using Dose-Response One Site model 203 (four parameter logistic curve model). When compounds are measured multiple times, mean values are given.
10504	1	Fluorescence polarisation (FP) assay for inactive p38alpha MARK	FP signals were measured with a PHERAstar microplate reader (BMG Labtech) using black, low-binding half-area 96 well plates (Corning). Each binding data point was carried out in duplicate or triplicate. Data were recorded in millipolarisation (mP) units and measured at an excitation wavelength of 485 nm and an emission wavelength of 520 nm. Tris(hydroxymethyl)aminomethane (Tris) assay buffer was used in all binding experiments and consisted of 10 mM Tris, 50 nM potassium chloride, and 3.5 mM 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate (Chaps) at pH 8.0. The recombinant inactive His-tag p38&#945; MAPK used in the ligand binding assays were prepared as described by Bukhtiyarova et al.
10504	2	Fluorescence polarisation (FP) assay for active p38alpha MARK	FP signals were measured with a PHERAstar microplate reader (BMG Labtech) using black, low-binding half-area 96 well plates (Corning). Each binding data point was carried out in duplicate or triplicate. Data were recorded in millipolarisation (mP) units and measured at an excitation wavelength of 485 nm and an emission wavelength of 520 nm. Tris(hydroxymethyl)aminomethane (Tris) assay buffer was used in all binding experiments and consisted of 10 mM Tris, 50 nM potassium chloride, and 3.5 mM 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate (Chaps) at pH 8.0. The recombinant active His-tag p38&#945; MAPK used in the ligand binding assays were prepared as described by Bukhtiyarova et al.
10504	3	Fluorescence polarisation (FP) assay	FP signals were measured with a PHERAstar microplate reader (BMG Labtech) using black, low-binding half-area 96 well plates (Corning). Each binding data point was carried out in duplicate or triplicate. Data were recorded in millipolarisation (mP) units and measured at an excitation wavelength of 485 nm and an emission wavelength of 520 nm. Tris(hydroxymethyl)aminomethane (Tris) assay buffer was used in all binding experiments and consisted of 10 mM Tris, 50 nM potassium chloride, and 3.5 mM 3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate (Chaps) at pH 8.0. The recombinant inactive and active His-tag p38&#945; MAPK used in the ligand binding assays were prepared as described by Bukhtiyarova et al.
10505	1	Inhibition of ANO1 Over ANO2	The method for inhibiting the expression of ANO1 (TMEM16A) of the present disclosure includes a step of inhibiting the expression of ANO1 (TMEM16A) in vitro by treating with a substance containing the one or more compound selected from a group consisting of compounds represented by [Chemical Formula 1] through [Chemical Formula 4].
10506	1	Biochemical Assay	The full length p300 SPA assay was run following the same protocol as p300 HAT SPA assay, but used 6 nM purified full length p300 (purchased from Active Motif) in place of the purified p300-HAT domain.Select compounds were also evaluated in a H3K18Ac MSD cellular assay that measures the ability of compounds to inhibit the the acetylation of chromatin at H3K18, a process catalyzed by p300 and CBP. In a typical experiment the p300 HAT inhibitory activity inside cells of the compounds described herein was determined in accordance with the following experimental method. 20 k HCT-116 cells per well are plated in 75 &#956;L RPMI+10% FBS media the night before treatment. Compounds plated in DMSO at 4× final concentration are resuspended in 30 &#956;L RPMI+10% FBS, then 25 &#956;L is combined with corresponding wells containing cells. Treated cells are incubated for 2 hr at 37° C., then lysed in 500 &#956;L final volume and frozen at &#8722;80° C. MSD plates (Meso Scale Discovery) are coated overnight at 4° C. with 60 &#956;L 1:500 &#945;-total histone antibody (Millipore MAB3422) in PBS. Plates are then blocked with 5% BSA in TBST shaking at RT for 1 hr, washed, and 30 &#956;L lysate added to each well for 2 hr shaking at RT. Plates are washed and 25 &#956;L 1:216 &#945;-H3K18ac antibody (CST 9675) in PBS added, then incubated for 1 hr shaking at RT. Plates are washed again, then 25 &#956;L 1:1000 Sulfo-Tag goat &#945;-rabbit antibody (Meso Scale Discovery R32Ab-1) in PBS is added for 1 hr shaking at RT. Plates are washed once more, then 150 &#956;L 1× Read Buffer (MSD #R92TD-3) is added to all wells and read on MSD SECTOR Imager 2400 using the conventional read setup.
10507	1	Electrophysiology Assay	For TRPC6 current recording, the intracellular solution contained (in mM): 120 CsOH, 120 Aspartate, 20 CsCl, 2 MgCl2, 0.4 CaCl2, 10 HEPES, 2 Na2ATP, 0.1 Na3GTP, 10 Glucose, 1 EGTA (pH 7.2-7.25, adjusted with CsOH). The extracellular solution contained (in mM): 145 NaCl, 5 KCl, 1 CaCl2, 1 MgCl2, 10 HEPES, 10 Glucose (pH 7.4 adjusted with NaOH).For TRPC3 current recording, the intracellular solution contained (in mM): 130 CsCl, 5 HEPES, 5 EGTA, 5 Na2ATP, Na3GTP, 5.5 MgCl2 (pH 7.2-7.25, adjusted with CsOH). The extracellular solution contained (in mM): 140 NaCl, 4 KCl, 1 MgCl2, 10 HEPES, 0.2 CaCl2, 10 Glucose, 2 Na4EDTA (pH7.4 adjusted with NaOH).
10508	1	Biochemical Assay	EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentameric complex prepared in-house) was pre-incubated with 450 nM SAM, 450 nM 3H-SAM, 2 &#956;M H3K27me3 activating peptide (H2N-RKQLATKAAR(Kme3)SAPATGGVKKP-amide) and compounds (as 10 point duplicate dose response titrations in DMSO, final assay 0.8% DMSO (v/v)) for 3-5 h in 50 mM Tris (pH 8.5), 1 mM DTT, 0.07 mM Brij-35, 0.1% BSA, and 0.8% DMSO in a total volume of 12.5 &#956;l. Reaction was initiated with biotinylated H3 substrate peptide (H2N-RKQLATKAAR(Kmel)SAPATGGVKKP-NTPEGBiot) as a 2 &#956;M stock in 12.5 &#956;l of buffer and allowed to react at room temperature for 18-22 h. Quenching was accomplished by addition of 20 &#956;l of STOP solution (50 mM Tris (pH 8.5), 200 mM EDTA, 2 mM SAH). 35 &#956;l of the quenched solution was transferred to streptavidin coated FlashPlates (PerkinElmer), incubated 1-2 h, washed, and read in a TopCount Reader (PerkinElmer). IC50s were calculated in Genedata Screener using non-linear least square four parameter fits, where the four parameters were IC50, Hill slope, pre-transitional baseline (0% INH), and post-transitional baseline (100% INH).
10509	1	Chemiluminescent Assay	A PRMT5 chemiluminescent assay was used to measure the 1050 activity of PRMT5. Biotinylated histone peptides were synthesized and attached to 384-well plates. Compound serial dilutions were performed and added to the assay plate. Histone H4 monomethyl R3 antibody was obtained from Abcam. A master mix for each well was prepared and human PRMT5/MEP50 (expressed in HEK293 cells) diluted in assay buffer to a concentration of 5 ng/&#956;L. The reaction was incubated and slowly rotated for 60 minutes at the point of PRMT5/MEP50 addition. The supernatant from the wells was removed and blocking buffer was added to each well and rotated for 10 minutes. The primary antibody was diluted and added to every well for 60 minutes, before it was removed and the wells washed. The horse radish peroxidase (HRP)-coupled secondary antibody was diluted and added to each well with an incubation time of 30 minutes. The HRP chemiluminescent substrate was added to every well. The plate was read on a Flourstar Omega BMG Labtech instrument (Ortenberg, Germany) and the analysis of IC50 was performed using the Flourstar Omega BMG Labtech software.
10510	1	Bim Binding Assays (Mcl-1 TR-FRET Assays)	The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinant human Mcl-1 (C-terminally 6×His tagged Mcl-1 containing residues 171-327) was generated at Amgen Inc (Thousand Oaks, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (San Jose, Calif.). The TR-FRET assay was conducted in a 384-well white OptiPlate (PerkinElmer, Waltham, Mass.) in a total volume of 40 &#956;L. The reaction mixture contained 0.1 nM Mcl-1 (171-327), 0.05 nM biotin-Bim(51-76), 0.05 nM LANCE Eu-W1024 Anti-6×His (PerkinElmer), 0.072 nM Streptavidin-XLent (Cisbio, Bedford, Mass.), and serially diluted test compounds in the binding buffer of 20 mM HEPES, pH 7.5, 150 mM NaCl, 0.016 mM Brij 35, and 1 mM dithiothreitol. Test compounds were pre-incubated with Mcl-1 (171-327) and biotin-Bim (51-76) for 60 min before addition of the detection mixture (LANCE Eu-W1024 Anti-6×His and Streptavidin-XLent). The reaction plates were further incubated overnight and then were read on an Envision multimode reader (PerkinElmer). Fluorescence signals were measured at 620 nm (40-nm bandwidth) and 665 nm (7.5-nm bandwidth) with a 300 &#956;s delay after excitation at 320 nm (75-nm bandwidth). The signal ratio at 665/620 nm corresponded to the Mcl-1/Bim interaction and was used in all data analyses
10510	2	Bim Binding Assays (Mcl-1 TR-FRET Assays (with 5% human serum) )	For Mcl-1 TR-FRET assay with 5% human serum, the same assay condition was used except for the addition of 5% human serum (Bioreclamation, Westbury, N.Y.) in the binding buffer and the increase of LANCE Eu-W1024 Anti-6×His concentration to 0.075 nM.
10511	1	In Vitro Studies	All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, c-FMS (0.14 nM, Carna 08-155) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 &#956;M sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 70 pM c-FMS, 1.5 &#956;M peptide substrate and 500 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 120 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. 
10512	1	Enzymatic Activity Assay	A protocol for determination of the carbonic anhydrase enzymatic activity at rt using the pH indicator method is described below:1 &#956;L inhibitor (50 mM stock solution in DMSO) is diluted to a final test concentration ranging from 100 &#956;M down to 1 nM (or 1 &#956;L water in controls) and incubated for 2 min with 0.5 to 2 EU human Carboanhydrase I (180 U/mg) in 400 &#956;L water and 200 &#956;L phenol red indicator solution (20 mg/L). An enzymactic unit (EU) is defined as an amount which doubles the non catalyzied rate. The hydration reaction is initiated by adding 100 &#956;L 0.5M bicarbonate buffer (0.3M Na2CO3; 0.2M NaHCO3) and subsequent dumping of CO2 through a needle (0.7×30 mm; 22 G×1.25) into the assay solution at a rate of 10 mL gas/minute. The time to colour change (pH 7.2) is determined with a microchronometer or stop watch.
10513	1	Biochemical Inhibition Assay	The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 7.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100× stock. Buffer A (89 &#956;L) containing 33 nM of NAMPT protein was added to 1 &#956;L of 100× compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mix was incubated for 15 minutes at room temperature, then 10 &#956;L of 10× substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 &#956;M NAM, 100 &#956;M 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5&#8242;-triphosphate (ATP). The reaction was allowed to proceed for 30 minutes at room temperature, then was quenched with the addition of 11 &#956;L of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 &#956;M L-Cystathionine. Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.
10514	1	Biochemical Activity Assay	In each well of a 384-well plate, 7.5 nM-10 nM of wild type RET (ProQinase 1090-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKD DIYFFFG-NH2) and 25 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35.35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
10514	2	RET V804L Gatekeeper Mutant Assay 	In each well of a 384-well plate, 7.5 nM-10 nM of mutant RET (ProQinase 1096-0000-1) was incubated in a total of 12.5 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% BriJ 35, 10 mM MgCl2, 1 mM DTT) with 1 &#956;M CSKtide (FITC-AHA-KKKKDDIYFFFG-NH2) and 10 &#956;M ATP at 25° C. for 120 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The reaction was stopped by the addition of 70 &#956;L of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35.35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plate was then read on a Caliper EZReader 2 (protocol settings: &#8722;1.7 psi, upstream voltage &#8722;500, downstream voltage &#8722;3000, post sample sip 35s). Data was normalized to 0% and 100% inhibition controls and the IC50 calculated using a 4-parameter fit in the CORE LIMS.
10515	1	FGFR4 Activity Inhibition Test	A HTRF KinEASE-TK 20000 tests kinase assay kit from CISBIO Corp. was used. The kit provided a biotin-labeled substrate, an EU-labeled phosphorylation site-specific antibody, and XL665-labeled avidin and a related buffer. FGFR4 phosphorylated the substrate, Eu-Ab identified the phosphorylated substrate, and XL665-SA binded to the biotin on the substrate, making Eu get closer to XL665, thus generating the HTRF signal. Changes in the activity of kinase was detected by reading the intensity of the HTRF signal. In the kinase assay experiment, there were mainly two steps of reaction: kinase reaction and assay reaction, respectively. In the kinase reaction, the kinase consumed ATP to phosphorylate the substrate, and at the same time produced a substrate containing a phosphate group. In the assay reaction, an assay reagent was added to terminate the kinase reaction. At the same time, the specific antibody and the XL665-labeled avidin in the assay reagent were binded to the phosphate group on the substrate and biotin respectively to generate HTRF signals. The signal intensity was directly proportional to the phosphorylation level of the substrate, and thereby the activity of the kinase FGFR4 could be quantitatively assayed.
10516	1	Inhibition of JAK	The study of the effect of compounds on the activity of purified recombinant JAK was performed by studying the inhibitory activity of the compounds on JAK from the enzymatic level. The experimental principle is to use a luminescence kinase assay to detect the ADP content produced by the reaction of JAK with the substrate Poly (4:1 Glu, Tyr) peptide: after ADP is converted to ATP, ATP can act as a substrate for the Ultra-Glo luciferase catalytic reaction, producing an optical signal. The luminescence signal is positively correlated with the amount of ADP and kinase activity. Therefore, the inhibitory effect of the compounds on the recombinant JAK was determined by observing the luminescence signal produced by the reaction of JAK and the substrate, and was expressed by IC50.
10517	1	In Vitro pAMPK1 Kinase Activation Assay	Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was used to determine phosphorylation of a SAMS peptide substrate. Recombinant AMPK &#945;1/&#946;1/&#947;1 complex was pre-activated by phosphorylation with CAMKK2 followed by incubated with compound for 15 minutes prior to the SAMS phosphorylation reaction. Activity curves and EC50 values were fitted by interpolation to an ATP:ADP standard curve as indicated by the ADP-Glo manufacturer using Prism software.
10518	1	AlphaLisa Assay	1. Add 20 &#956;l of the diluted compound to each well of the 384-well opti plate2. Tap the plate gently3. Add 10 &#956;l of the enzyme to each well of the opti plate4. Cover with plate sealer5. Spin the plate briefly (640 rpm for 30 s) in a plate centrifuge.6. Incubate the plate at room temperature for 10 minutes7. Add 10 &#956;l of the substrate8. Cover with plate sealer9. Spin the plate briefly (640 rpm for 30 s) in a plate centrifuge.10. Cover with plate sealer and incubate at room temperature for 1 hour11. After incubation, transfer 10 &#956;l of reaction mix to fresh wells of a 384-well plate.12. Add 10 &#956;l acceptor bead from working stock.13. Cover with plate sealer14. Spin the plate briefly (640 rpm for 30 s) in a plate centrifuge.15. Cover with plate sealer and incubate at room temperature for 30 minutes16. Add 10 &#956;l donor bead from working stock (in dark).17. Cover with plate sealer18. Spin the plate briefly (640 rpm for 30 s) in a plate centrifuge.19. Cover with plate sealer and incubate at room temperature for 15-30 minutes20. Read the plate in pherastar (alpha screen protocol)
10519	1	Cell Free Mcl-1:Bim Affinity Assay (Mcl-1 HTRF)	The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinant human Mcl-1 (C-terminally 6×His tagged Mcl-1 containing residues 171-327) was generated at Amgen Inc (Thousand Oaks, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (San Jose, Calif.). The TR-FRET assay was conducted in a 384-well white OptiPlate (PerkinElmer, Waltham, Mass.) in a total volume of 40 &#956;L. The reaction mixture contained 0.1 nM Mcl-1(171-327), 0.05 nM biotin-Bim(51-76), 0.05 nM LANCES Eu-W1024 Anti-6×His (PerkinElmer), 0.072 nM Streptavidin-Xlent (Cisbio, Bedford, Mass.), and serially diluted test compounds in the binding buffer of 20 mM Hepes, pH 7.5, 150 mM NaCl, 0.016 mM Brij 35, and 1 mM dithiothreitol. Test compounds were pre-incubated with Mcl-1(171-327) and biotin-Bim (51-76) for 60 min before addition of the detection mixture (LANCE Eu-W1024 Anti-6×His and Streptavidin-Xlent). The reaction plates were further incubated overnight and then were read on an Envision multimode reader (PerkinElmer). Fluorescence signals were measured at 620 nm (40-nm bandwidth) and 665 nm (7.5-nm bandwidth) with a 60 &#956;s delay after excitation at 320 nm (75-nm bandwidth). The signal ratio at 665/620 nm corresponded to the Mcl-1/Bim interaction and was used in all data analyses. The IC50 values of test compounds were determined from duplicate data by analyzing competition curves using a four-parameter sigmoidal model in GraphPad Prism (GraphPad Software, San Diego, Calif.) or in Genedata Screener (Genedata, Basel, Switzerland).
10520	1	In Vitro hGGPPS Inhibition Assay	The assay was based on a literature procedure (Kavanagh, et al. J. Biol. Chem., 2006, 281, 22004-22012) with minor modifications. All assays were run in triplicate using recombinant human GGPPS (80 ng), FPP (10 &#956;M), IPP (8.3 &#956;M; 3H-IPP, 40 mCi/mmoL) in a final volume of 100 &#956;L buffer containing 50 mM Tris pH 7.7, 2 mM MgCl2, 1 mM TCEP, 5 &#956;g/mL BSA and 0.2% (w/v) Tween 20. The enzyme and test compound were pre-incubated in the assay buffer in a volume of 80 &#956;L at 37° C. for 10 mins. Afterwards, the substrates (FPP, IPP) were added to start the reaction, which also bring the compound, substrate, and buffer contents to the desired final concentrations as indicated above. The assay mixture was then incubated at 37° C. for 15 mins (Note: the incubation time is based from the curve determined each time a new batch of enzyme is produced). Assays were terminated by the addition of 200 &#956;L of HCl/MeOH (1:4) and incubated for 10 min at 37° C. The mixture was then extracted with 700 &#956;L of petroleum ether, dried through a plug of anhydrous Mg2SO4 and 300 &#956;L of the dried ligroin phase was combined with 8 mL of scintillation cocktail. Finally, the radioactivity was counted using a Beckman Coulter LS6500 liquid scintillation counter.
10521	1	In Vitro JAK Kinase Assay	Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hr and then stopped with 20 uL 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
10522	1	Coupled Nucleotide Exchange Assay	Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for either 5 min or 2 hours (see Table 15). Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min (for 5 min compound pre-incubation) or 1 hour (for 2 hour compound pre-incubation). To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10523	1	Binding Assay	In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluorescein-conjugated coactivator PGC1a was 250 nM, and all experiments other than that was the same as the ERR gamma binding assay.In an ER alpha binding assay, a GST-bound ER alpha ligand-binding domain (LBD) was added to a 384 well plate to which the arylethene derivative of the present invention was added to a final concentration of 7.3 nM. Then, a fluorescein-conjugated coactivator PGC1a and a Tb-a-GST antibody were added to 250 nM and 5 nM, respectively, and beta-estradiol as an agonist was added to a final concentration of 4 nM. All subsequent experiments was the same as the ERR gamma binding assay.
10524	1	In Vitro Apo(a) Binding Assay	The in vitro binding affinity of compounds to the intended target human Apo(a) protein is tested in a competitive binding assay. Human Apo(a) protein containing 17 Kringle repeats is affinity purified from conditioned media of transiently transfected HEK-293F cells. All reagents are prepared in assay buffer containing 50 mM Tris-HCl pH 7.4, 0.1% BSA. The binding assay is conducted by adding to each well of a clear-bottom plate 50 each of (1) test compound in dilution series (final concentration 0.3210000 nM), (2) Apo(a) protein (6 ng/well), (3) re-suspended Wheat Germ Agglutinin Polyvinyltoluene SPA beads (20 mg/ml), and (4) the radioligand, tritium-labeled (2S)-3-[3-[2-oxo-3-[3-(tritritiomethoxy)phenyl]imidazolidin-1-yl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid; hydrochloride (final concentration 0.52 nM). Plates are incubated for 60 minutes at RT and counted on TRILUX LSC. Non-specific binding, defined as binding in the presence of 10 M cold (i.e. non-radiolabeled) ligand: (2S)-3-[3-[2-oxo-3-[3-(methoxy)phenyl]imidazolidin-1-yl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid; hydrochloride is subtracted to determine specific binding. Data are analyzed by fitting to a standard single site binding model and the IC50 for the Example test compound is determined. These results are summarized in Table 1, and indicate that the Example test compounds bind to human Apo(a) protein. Inhibition of the assembly of the LDL particle with apo(a) through binding to the Apo(a) protein supports a reduction in Lp(a) levels.
10525	1	Biological Assay	MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;l of a 2,5-fold concentrated MBP-MCL-1 solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between MBP-MCL-1 and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Noxa BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-MBP-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.
10525	2	Biological Assay	BCL-XL Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;l of a 2,5-fold concentrated His-BCL-XL solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 &#956;M potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-XL and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.
10525	3	Biological Assay 2	BCL-2 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;l of a 2,5-fold concentrated His-BCL-2 solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-2 and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.
10526	1	Fluorescence Polarization Assay	eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x) were prepared using 3-fold serial dilutions in 100% DMSO, and subsequently diluted 1:50 in FPB to produce 2x stocks. 50 ul of 2x eIF4E/EDA-m7GDP-ATTO-550 were transferred to the wells of a 96-well half-area black flat bottom polystyrene plate. 50 ul of 2x test compound were added, and binding reactions were allowed to equilibrate for 30 minutes at room temperature while protected from light. The fluorescent polarization signal was detected using a Victor 2 multi-label counter (Perkin Elmer) and the concentration necessary to achieve inhibition of eIF4E/EDA-m7GDP-ATTO-550 binding by 50% (IC50) was calculated using data from an 8-point compound dilution series.
10527	1	Compound Primary Screening	A 96 well u-bottom plate was prepared by writing the experiment number, plate number, date and initials in the top right corner of the plate lid. With a sterile 300 ml reservoir, and 25 ml serological pipette, evaporation buffer media was pipetted into reservoir in 25 ml increments. Using the liquid handler, 150 ul of evaporation buffer media was pipetted from reservoir into rows A and H, and Columns 1 and 12 of the 96 well u-bottom plate. Cell cultures were counted to obtain the density of cells per ml, and the culture viability. The cell density information was used to obtain 1,000,000 cells from culture using a 5 mL serological pipette into an epi tube. The cell density information from the culture was used to calculate the number of cells and volume of media needed for the assay to seed 1250 cells in 130 ul of media per available culture well in the 96 well u-bottom plate. Rows B through F were used for cells (50 wells in total), with row G left for an empty media control. The calculation was overestimated by 10 mL to account for the dead volume in the 300 ml reservoir. Once the media volume was calculated, the appropriate volume of media was pipetted in 25 mL increments into the 250 mL bottle using a 25 mL serological pipette. The 250 ml bottle was capped tightly, and placed into a 37° C. water bath for 2 minutes. While the culture media was warming, 10 mL of fresh media was pipetted from the 500 mL culture media bottle into a sterile 25 mL reservoir. Using the Eppendorf multichannel pipette, 130 ul of media was pipetted from the 25 mL reservoir into row G of the 96 well u-bottom plate. Once the 250 mL bottle of media was warmed, the volume of culture needed was pipetted into the bottle, and mixed gently with a 25 mL serological pipette as to not create bubbles, and then the contents of the bottle were pipetted into a new 300 mL reservoir. Using the liquid handler, 130 ul of culture was pipetted from the 300 mL reservoir into rows B through F of the 96 well u-bottom plate. Once the culture was added, the plate was placed into a 37° C. incubator until the compound master plate was prepared for use.Two 96 well u-bottom plates were prepared by writing the master plate name in the upper right corner of the plate lid. Labeling one DMSO master and the other Media Master. The compounds of interest were obtained from the laboratory freezer, and placed into a 25 well storage box with a lid, and set the box aside. The compounds were vortexed after thawing but before use. Using an automatic multichannel pipette, 20 ul of 100% DMSO was pipetted into wells B3-B11 through G3-G11 of the DMSO master plate. For each compound on the master plate, 50 ul of the compound were pipetted in the appropriate well of row 2 (reference plate map to determine appropriate well). A serial dilution was prepared beginning by aspirating 20 ul from row 2 and mixing with row 3, repeating until row 11 was reached. Using the liquid handler, 194 ul of Daudi media was dispensed into wells B2-B11 through G2-G11 of the Media master plate. Using the liquid handler, 6 ul from the DMSO master plate was aspirated and dispensed into the media master plate, mixing 100 ul twice.Compounds from master plate were then added to the culture plate. The culture plates were removed from the incubator, and set inside the biosafety cabinet. Using a liquid handler, 20 ul from wells B2 to B11 through G2 to G11 of master plate were aspirated, and dispensed into wells B2 to B11 through G2 to G11 of culture plate. This set was continued with each culture plate. Once the culture plates acquired their 20 ul of compound dilutions, they were placed back into the incubator, until their reads on Day 7 of experiment.
10528	1	Enzymatic Kinase Inhibition Assay 2	The kinase inhibition IC50 was determined at Reaction Biology Corporation (www.reactionbiology.com, Malvern, Pa.) following the procedures described in the reference (Anastassiadis T, et al Nat Biotechnol. 2011, 29, 1039). Specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer; 20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO (for specific details of individual kinase reaction components see Supplementary Table 2). Compounds were delivered into the reaction, followed 20 minutes later by addition of a mixture of ATP (Sigma, St. Louis Mo.) and 33P ATP (Perkin Elmer, Waltham Mass.) to a final concentration of 10 &#956;M. Reactions were carried out at room temperature for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper (Whatman Inc., Piscataway, N.J.). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
10529	1	Measurement of Orexin Type 2 Receptor Agonist Activity	Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate (384 wells) (Becton, Dickinson and Company) by 10,000 cells, and cultured for 16 hr in an MEM-alpha (Nikken-Bio Co., Ltd.) medium containing 100 U/ml penicillin, 100 &#956;g/ml streptomycin, 0.5 g/ml G418 (all above Invitrogen), and 10% fetal calf serum (Thermo), under the conditions of 37° C., 5% CO2. After removal of the medium, 30 &#956;L of assay buffer 1 (0.1% bovine serum albumin (Wako Pure Chemical Industries, Ltd.), 1.25 mM probenecid, 10% B2-Quencher, 2.5 &#956;g/mL Fluo-4AM, 10 mM HEPES (DOJINDO)) was added, and the cells were incubated for 60 min under the conditions of 37° C., 5% CO2. A test compound was dissolved in dimethyl sulfoxide to 10 mM, and then diluted with assay buffer 2 (20 mM HEPES, Hanks&#39; balanced salt solution (Invitrogen), 0.1% bovine serum albumin). For the reaction, a test compound solution (10 &#956;L) was added using Fluorescent Imaging Plate Reader TETRA (FLIPR TETRA; manufactured by Molecular Devices), a fluorescence value (excitation wavelength 488 nm, measurement wavelength 570 nm) of each well was measured every one second for 1 min, and the agonist activity was determined using the area of the fluorescence value as an indicator of intracellular Ca2+ concentration. The agonist activity of the test compound was calculated assuming that the fluorescence value of the well added with only the dilution buffer was 0% and the fluorescence value of the well added with 10 nM human orexin B (PEPTIDE INSTITUTE, INC.) buffer was 100%. The agonist activity values EC50 and Emax of each compound are shown below. As used herein, Emax indicates the value at 30 uM concentration when orexin B is converted to a full agonist (maximum value of agonist activity: 100%).
10530	1	Biological Activity Assay 2	NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
10530	2	Biological Activity Assay 4	MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those with skill in the art. Preparation of BCECF loaded cells are as described for Assay 1. Lactate transport assay is as described for Assay 1, except 10 mM L-lactate (rather than 50 mM) is added.
10530	3	Biological Activity Assay 3	MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. MCT4 activity may be assessed by monitoring the intracellular pH change that accompanies lactate/proton symport, using the pH-sensitive fluorescent dye 2&#8242;,7&#8242;-bis-(carboxyethyl)-5(6)-carboxyfluorescein (BCECF), in a manner similar to that previously reported for MCT1 and MCT4.
10531	1	RORgamma Assay	The ROR&#947; assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to express a hybrid form of the Human RAR-related Orphan Receptor Gamma (ROR&#947;) at high levels. The N-terminal DNA binding domain (DBD) of the native ROR&#947; receptor was substituted with the yeast GAL4-DBD to generate the GAL4-ROR&#947; hybrid nuclear receptor. The reporter cell line is transfected with a plasmid that encodes the beetle luciferase gene under the control of the GAL4 upstream activating sequence (UAS). GAL4 binds to the UAS and increases transcription of downstream target genes. The GAL4-ROR&#947; hybrid is constitutively active; therefore, the principle application of this reporter assay system is to screen test compounds to quantify inverse-agonist activities against human ROR&#947;. To assess the ROR&#947; inverse-agonist activity of the test compounds, reporter cells were plated in white 96-well plates in triplicate and were treated with DMSO (vehicle) or test compound (concentration ranges of 0.4-200 nM or 2-1000 nM) at 37° C. with 5% CO2 in a humidified atmosphere for 23 hours. After this incubation, luciferin was added to the wells and luciferase activity was determined by measuring the luminescence signal using a BMG Pherastar microplate reader. Viability was determined using the Live Cell Multiplex Assay (Indigo Biosciences). Values from test compound samples were normalized to those from DMSO-treated samples. Data were analyzed using GraphPad Prism version 6.00 for Windows (GraphPad Software, La Jolla Calif. USA). A non-linear regression analysis with log (inhibitor) vs. normalized response using a variable slope was applied to fit the data and determine the IC50 values for inhibition of ROR&#947; and cell viability.
10532	1	AR Agonist Assay	Human AR cDNA cloned into pCMV vector, GRE-LUC, and CMV-renilla-LUC were used to transfect cells. HEK-293 cells (ATCC) were plated at 120,000 cells per well of a 24 well plate in DME+5% csFBS (Fisher Scientific, Waltham, Mass.). The cells were transfected using Lipofectamine (Life Technologies, Carlsbad, Calif.) with 0.25 &#956;g GRE-LUC, 0.010 &#956;g CMV-LUC (renilla luciferase) and 25 ng of the AR. The cells were treated 24 hrs after transfection with test articles (9-concentration for IC50/EC50 calculations or 1 single concentration at 1 &#956;M). Luciferase assay was performed 48 hrs after transfection. Firefly luciferase assay values were normalized to renilla luciferase values and were graphed using graphpad prism software (La Jolla, Calif.). R1881 was used as the positive control.
10532	2	AR Antagonist Assay	Human AR cDNA cloned into pCMV vector, GRE-LUC, and CMV-renilla-LUC were used to transfect cells. HEK-293 cells (ATCC) were plated at 120,000 cells per well of a 24 well plate in DME+5% csFBS (Fisher Scientific, Waltham, Mass.). The cells were transfected using Lipofectamine (Life Technologies, Carlsbad, Calif.) with 0.25 &#956;g GRE-LUC, 0.010 &#956;g CMV-LUC (renilla luciferase) and 25 ng of the AR. The cells were treated 24 hrs after transfection with test articles (9-concentration for IC50/EC50 calculations or 1 single concentration at 1 &#956;M) in combination with 0.1 nM R1881. Luciferase assay was performed 48 hrs after transfection. Firefly luciferase assay values were normalized to renilla luciferase values and were graphed using graphpad prism software (La Jolla, Calif.). Enzalutamide was used as the positive control.
10532	3	GR Antagonist Assay	COS-7 cells (ATCC, Manassas, Va.) were plated in 24 well plates in DME+5% csFBS without phenol red at 70,000 cells/well. Once the cells attached to the plates (typically after overnight incubation after plating), they were transfected in OPTIMEM medium (Life Technologies) using lipofectamine reagent (Life Technologies) with 0.25 &#956;g GRE-LUC, 25 ng pCR3.1 GR, and 10 ng CMV-renilla LUC per well. Twenty-four hours after transfection, the cells were fed with DME+5% csFBS without phenol red (Fisher Scientific, Waltham, Mass.) and treated with the test compounds (1 pM to 10 &#956;M dose range) in the presence of 0.1 nM dexamethasone (Sigma, St. Louis, Mo.). Sixteen to twenty-four hours after treatment, a luciferase assay was performed using the Dual Luciferase assay kit (Promega, Madison, Wis.). Firefly luciferase values were normalized to Renilla luciferase numbers.
10533	1	Evaluation of Kinase Inhibitory Activity	The inhibitory activity of some of the compounds described above against FLT3-ITD, FLT3 wild type (WT), VEGFR2 (KDR), and SYK kinase was measured. The inhibitory activity of the compounds against mutant proteins, such as FLT3 VVT and ITD, was evaluated based on the LanthaScreen technology developed by Thermo Fisher Scientific Inc. This assay is based on the binding of Alexa Fluor 647-labeled, ATP-competitive kinase inhibitor (kinase tracer-236) to kinase, and signals of fluorescence resonance energy transfer (FRET) were measured in the presence of europium-conjugated antibody. This experiment was carried out on a 384-well plate in conditions including 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 1% DMSO. After measuring the background signal in the absence of proteins such as FLT3 or FLT3-ITD and measuring the non-inhibition signal by adding only the solvent (1% DMSO), an evaluation compound was used at a set concentration (for example, 50 nM to 0.05 nM, 1:10 dilution) to calculate the kinase inhibitory activity of the evaluation compound as IC50.
10534	1	Property Evaluation 3	Using the samples prepared according to Example 1 and Comparative Examples 2 and 3, inhibitory activity against &#945;-glucosidase was evaluated to analyze activity based on structural analogs.50 &#956;l of phosphate buffer (100 mM, pH=6.8), 10 &#956;l of &#945;-glucosidase (1 U/ml) and 20 &#956;l of each of samples at various concentrations (0.01, 0.02, 0.03, 0.04, 0.05, 0.1, 0.15, 0.2 and 0.25 mg/ml) of Example 1 and Comparative Example 2 were fed into 96-well plates and pre-incubated at 37° C. for 15 minutes. Next, 20 &#956;l of P-NPG (5 mM) was added as a substrate and further incubated at 37° C. for 20 minutes. This reaction was stopped by adding 50 &#956;l of Na2CO3 (0.1 M). The absorbance of released p-nitrophenol was measured at 405 nm using a multi-mode plate reader. Acarbose was set as a positive control. Each experiment was performed three times. An inhibition rate (%) was evaluated using the following equation (inhibition (%)=[1&#8722;(sample/control)]×100). IC50 values were calculated by regression analysis.
10535	1	HTRF Biochemical Assay for CBP and BRD4 Activity	The assay was performed in a final volume of 6 &#956;L in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)), 0.5 mM GSH, 0.01% BGG (0.22 &#956;M filtered, Sigma, G7516-25G), 0.005% BSA (0.22 &#956;M filtered, EMD Millipore Corporation, 126575) and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO were pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 33 &#956;M to 1.7 nM, top to lowest dose, respectively. 3 of 2× Protein and 3 &#956;L of 2× Peptide Ligand were added to assay plates (pre-stamped with compound). Plates were incubated for varying times at room temperature prior to measuring the signal. TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) was measured on the PHERAstar (BMG, equipped with HTRF optic module [337/520/490]) or on the Envision (PerkinElmer, equipped with the TRF Laser unit, TRF dual mirror D400/D505 and emission filters M520 and M495). Data were reported as percent inhibition compared with control wells based on the following equation: % inh=1&#8722;((TR-FRET ratio&#8722;AveLow)/(AveHigh&#8722;AveLow)) where TR-FRET ratio=(Fluorescence at 520 nm/Fluorescence at 490 nm)*10000), AveLow=average TR-FRET ratio of no enzyme control (n=32), and AveHigh=average TR-FRET ratio of DMSO control (n=32). IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm included in the Activity Base software package: IDBS XE Designer Model 205. Data is fitted using the Levenburg Marquardt algorithm. For all assay formats data were reported as percent inhibition compared with control wells based on the following equation: % inh=100*((FLU&#8722;AveLow)/(AveHigh&#8722;AveLow)) where FLU=measured Fluorescence, AveLow=average Fluorescence of no enzyme control (n=32), and AveHigh=average Fluorescence of DMSO control (n=32). IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm included in the Activity Base software package: IDBS XE Designer Model 205. Data is fitted using the Levenburg Marquardt algorithm.
10536	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Equal volumes of His-tagged CRBN-DDB1 complex (56 nM) was mixed with Eu-cryptate labeled Anti-6HIS-monoclonal antibody (50× dilution from the commercial stock solution, Vender: Cisbio, Cat. #61HI2KLA) in a final buffer containing 20 mM HEPES pH 7.0, 150 mM NaCl, 0.005% Tween-20. The solution was then mixed with Cy5-labeled thalidomide (final 8 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration 200 uM). The mixture were incubated at room temperature for 1 hour. FRET signals were measured on an EnVision plate reader (Perkin Elmer) by exciting at 340 nm and recording emission at both 615 nm as no FRET control and 665 nm as the FRET signals with a 60 microsecond delay. FRET efficiency was calculated as the ratio of fluorescent signals at 665 nM/615 nM. Quantitative loss of FRET efficiency as a function of compound concentrations was fitted by a four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
10537	1	PDE4 Assay	The human PDE4D catalytic domain (UniProt no. Q08499 [5380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference compound. Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggers time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.The results were calculated as the molar concentrations resulting in 50% inhibition of the substrate cleavage compared to controls samples, and are expressed as IC50 (nM).
10538	1	Ba/F3 cell model generation and proliferation assays	 Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. Plasmids containing EGFR mutants were obtained from GeneScript. To generate EGFR-dependent Ba/F3 models, Ba/F3 cells were transduced with retroviruses containing vectors that harbor EGFR isoforms. Platinum-E cells (Cell Biolabs) were used for retrovirus packaging. Retrovirus was added to Ba/F3 cells. To ensure infection, 4 &#956;g/mL polybrene was added and cells were spinfected. Infection efficiency was confirmed by measuring GFP-positive cells using a cell analyzer. Cells with an infection efficiency of 10 % to 20 % were further cultivated and puromycin selection with 1 &#956;g/mL was initiated. As a control, parental Ba/F3 cells were used to show selection status. Selection was considered successful when parental Ba/F3 cells cultures died. To evaluate the transforming potential of EGFR mutations, the growth medium was no longer supplemented with IL-3. Ba/F3 cells harboring the empty vector were used as a control. A switch from IL-3 to EGF was performed for Ba/F3 cells with the wildtype EGFR known for its dependency on EGF ligand. Approximately ten days before conducting the experiments, puromycin was left out. For proliferation assays (data in table 13), Ba/F3 cells were seeded into 96-well plates at 5 x 103 cells / 100 &#956;L in growth media. Compounds were added by using a HP D3000 Digital Dispenser. All treatments were performed in technical triplicates. Treated cells were incubated for 72 h at 37 °C with 5 % CO2. CellTiter-Glo Luminescent Cell Viability Assay (Promega) was performed and chemoluminescence was measured by using the multilabel Plate Reader VICTOR X4. The raw data were imported into and analyzed with the Boehringer Ingelheim proprietary software MegaLab (curve fitting based on the program PRISM, GraphPad Inc.).
10538	2	pEGFR assay	 This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19 T790M C797S protein in Ba/F3 cells. Murine Ba/F3 cells were grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/mL IL-3 at 37 °C in 5 % CO2 atmosphere and transduced with a retroviral vector encoding EGFR del19 T790M C797S. Transduced cells were selected using puromycin. Following selection, IL-3 was withdrawn and IL-3 independent cells cultured. p-EGFR Tyr1068 was determined using the AlphaScreen Surefire pEGF Receptor (Tyr1068) Assay (PerkinElmer, TGRERS). For the assay, Ba/F3 EGFR del19 T790M C797S cells were seeded in DMEM medium with 10 % FCS.60 nL compound dilutions were added to each well of Greiner TC 384 plates using the Echo platform. Subsequently, 60.000 cells/well in 60 µL were added. Cells were incubated with compound for 4 h at 37 °C. Following centrifugation and removal of the medium supernatant, 20 µL of 1.6-fold lysis buffer from TGR/Perkin Elmer kit with protease inhibitors was added. The mixture was incubated at room temperature with shaking (700 rpm) for 20 min. After centrifugation, 4 µL of the lysate were transferred to Proxiplates. 5 µL of Acceptor Mix (Activation Buffer diluted 1:25 in combined Reaction Buffer 1 and Reaction Buffer 2 (TGRERS Assay Kit, PerkinElmer) plus 1:50 of Protein A Acceptor Beads 6760137) were added to each well. Plates were shaken for 1 min (1400 rpm) and incubated for 2 h at room temperature in the dark.3 µL of donor mix (AlphaScreen Streptavidin-coated Donor Beads (6760002, PerkinElmer) 1:50 diluted in Dilution Buffer (TGRERS Assay Kit, PerkinElmer) were added to each well. Plates were shaken for 1 min (1400 rpm) and incubated for 2 h at room temperature in the dark. Plates were subsequently analyzed using an Envision reader platform. Results were computed in the following way: The ratio of the value of the test compound and the value of the negative control (DMSO) was calculated. IC50 values are computed from these values in the MEGASTAR IC50 application using a 4 parametric logistic model.
10539	1	Human IL-17A x IL-17RA TR-FRET assay	 Dilutions of test compounds in DMSO are plated onto white low-volume 384-well plates (Greiner, #784075). Specifically, solutions of graded concentrations (5 mM to 150 nM; sixteen 2-fold dilution steps) are dispensed at 0.2 µL/well to yield final assay concentrations in the range of 100 µM to 3 nM. Each compound concentration is tested in duplicate.All components of the assay are diluted in PBS containing 0.05% Tween20 (Sigma, #P1379, 5% stock in water), 1 mM EDTA (Invitrogen, #15575-038; 0.5M stock, pH8) and 0.05% bovine serum albumin (Roche; 5% stock in water). The final total assay volume is 10 µL. Reagents are added using a Multidrop Combi device (ThermoFisher, #5840320); between reagents, the instrument is rinsed with buffer:(i) Biotinylated human IL-17A (PN106276; stock solution: 55.87 µM) is added at 5 µL/well from a 10 nM intermediate dilution to yield a final assay concentration of 5 nM. Each assay plate contains low controls where buffer is added in place of IL-17A.(ii) After 30 minutes of incubation at RT, 2.5 µL/well of AF647-labeled human IL-17RA (PN110235; stock: 2.91 µM) is added from a 120 nM intermediate solution, to yield a final assay concentration of 30 nM.(iii) Following 30 minutes of incubation at RT, 2.5 µL/well of Eu-Streptavidin (PerkinElmer, #AD0062; stock: 500 µg/mL=8.3 µM) is added from an intermediate dilution of 4 nM to yield a final concentration of 1 nM.After 30 to 60 minutes of incubation, FRET is measured in an EnVision 2101 Multilabel-Reader (Perkin Elmer) with excitation at 320 nm, and emission at 615 and 665 nm (program TR-FRET Screening , instrument: NIBR-00013163).Each plate contains test compounds in columns 1-22 and controls in columns 23 and 24. The neutral control (NC) contains all the assay components, but DMSO instead of test compound. The active control (AC) mimics complete inhibition of the IL-17 ligand interaction, which is achieved by replacing the biotinylated cytokine with buffer. The fluorescence values for emission at 615 nm and 665 nm are loaded to the evaluation software Helios.
10540	1	 VPS34 ADP-Glo kinase assay	 [0194] Experimental compound in DMSO was dispensed to a 384-well microplate via acoustic dispenser at 50 nl per well. At 2.5 µl per well, an enzyme mix with VPS34 (Carnabio 11-122) at 0.3 nM was pre-incubated with compound for 20 min, then 2.5 µl substrate mix added to initiate reaction with PI:PS (Signalchem P425-59B-1000) at 50 µM, and ATP at 70 µM (ATP Km = 69 µM). Assay buffer conditions were as follows: 50 mM HEPES, pH 7.5, 3 mM MnCl2, 0.01% BSA, 0.01% Brij 35, 1 mM TCEP. The 5 µl reaction was incubated for 90 minutes at room temperature, and then quenched with equal volume of ADP-Glo Reagent (5 µl; Promega). Quenched reaction was incubated for 60 min, followed by addition of an equal volume of Kinase Detection Reagent (10 µl; Promega). Luminescence signal was detected on an Envision (Perkin Elmer).
10542	1	 LRRK2 Km ATP LanthaScreen Assay	 The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA) using GST-tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide, also from Life Technologies. The data presented for the Km ATP LanthaScreen Assay represents mean IC50 values based on several test results and may have reasonable deviations depending on the specific conditions and reagents used. Assays were performed in the presence of 134 &#956;M ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 &#956;M in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 &#956;l of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 &#956;l of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 &#956;M ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 &#956;l of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation of 1 hour at room temperature, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm. Compound IC50s were interpolated from nonlinear regression best fits of the log of the final compound concentration, plotted as a function of the 520/495-nm emission ratio using Activity base. Abase uses a 4 parameter (4P) logistic fit based on the Levenberg-Marquardt algorithm.
10543	1	HPK1-SLP76 TR-FRET ASSAY	 To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &#956;L/well, was added and preincubated for 30 minutes before 2.5 &#956;L/well of 3x substrate solution was added. The reaction solution incubated for 60 minutes and quenched with 2.5 &#956;L of 4x detection solution. The solutions were incubated for an additional 60 minutes prior to reading on a Perkin Elmer Envision. The TR-FRET signal was measured at both 615 and 665 nm. The calculated emission ratio of 665/615 was used to determine the percent effect for each compound concentration. Detailed HPK1 Assay Protocol:Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column 22, to yield 10 concentration dose responses for each test compound. Columns 1, 2, 23 and 24 contain either only DMSO or a pharmacological known control inhibitor. Once titrations are made, 7.5 nL of the compounds on 384 well plates are transferred by acoustic dispersion into a 384-well assay plate (Corning 3820) to assay the HPK1 enzyme.The HPK1 kinase biochemical assay was developed using commercially available HTRF reagents. The assay contains the following reagents: 1) Assay Buffer: 50 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij&#8722;35, 0.05 % BSA and 0.5 mM TCEP; 2) Enzyme Solution: HPK1 (Carna); 3) Substrate Solution: ATP and Full Length SLP76 with His-Tag; 4) Stop and Detection Solution: EDTA, LANCE Eu-W1024 Anti-6xHis Ab (Perkin Elmer) and Phospho-SLP-76 (Ser376) (D7S1K) XP Rabbit mAb (AF 647 Conjugate) (Cell Signaling Technologies). Enzyme, Substrate and Stop/Detection solutions are prepared in assay buffer. Enzyme solution (75pM HPK1 Final), 5&#956;L/well, is added to 384-well assay plate and incubated with 7.5nL of compound or DMSO for 30 minutes. Kinase reaction is initiated with addition of 2.5 &#956;L of substrate solution (ATP 10uM and SLP7610 nM Final) and allowed to proceed for 60 minutes. Enzyme addition and compound pre-incubation are initiated by the addition of 5 &#956;L of HPK1 enzyme solution (at one and a half times its final concentration of 75pM) to all wells using a BioRaptr. Plates are incubated at room temperature for 30 minutes. Reactions are initiated by addition of 2.5 &#956;L of 3x substrate solution (10 nM SLP76 and 10 uM ATP FInal) using BioRaptr. Plates are incubated at room temperature for one hour. Reactions are quenched, and activity detected by addition of 2.5 &#956;L of 4x stop and detection solution (10 mM EDTA, 0.75 nM LANCE Eu-W1024 Anti-6xHis Ab and 0.75 nM Phospho-SLP-76 (Ser376) (D7S1K) XP Rabbit mAb (AF 647 Conjugate) Final) to all wells using the BioRaptr. Following a one-hour incubation, the HTRF signal is measured on the Envision plate reader set for 320nm excitation and dual emission detection at 615nM (Eu) and 665nM (AF647).
10544	1	Fluorescence Polarization Assay	The androgen receptor fluorescence polarization assay is used to investigate the interaction of the compounds with the androgen receptor.Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 &#956;L. DTT and DMSO are added to the chilled assay buffer just before beginning assay. Sufficient Fluormone AL Red and AR-LBD are defrosted on ice and added to the chilled buffer in a glass tube to give a final concentration of 1 nM and 100 nM, (for current batch) respectively. A volume of 10 &#956;L of the assay mix is added to compound plates with a multidrop. The assay is allowed to incubate at 20° C. for 2-3 hours. The plates are counted in a Discovery Analyst with suitable 535 nM excitation and 590 nM emission interference filters (Dichroic 561 nM). Compounds that interact with the AR result in a lower fluorescence polarization reading. Test compounds are dissolved and diluted in DMSO. 
10545	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
13287	1	Inhibition of Binding of E to ER	An ERE was cloned upstream of the luciferase gene, and MCF-7/ERE-luciferase monoclonal cells were selected by transfection of MCF-7 (TCHu74, National Collection of Authenticated Cell Cultures). The MCF-7/ERE-luciferase cells were seeded into a 96-well plate with an MEM (hyclone, SH30024.01B) medium containing 10% charcoal stripped FBS (Moregate, FBSF), 1% sodium pyruvate (sigma, S8636), 1% non-essential amino acids (sigma, M7145) and 500 μg/mL G418 at a density of 30,000 cells/well and cultured at 37° C. with 5% CO2. 20 mM stock solutions of the drugs are prepared, serially diluted 10-fold with 100% DMSO, and then diluted 20-fold with the medium. After the cells were cultured for 24 h, the medium was removed. 0.1 nM estradiol (sigma, E2758) and 10 μL of a medium-diluted drug were added to each well, and DMSO was added to the control group. The mixtures were well mixed by gentle shaking. The cells were cultured in an incubator at 37° C. with 5% CO2 for 24 h, and then the cell culture liquid was removed, followed by the addition of 50 μL of a luciferase substrate (Promega, E6110) to each well. The plate was let stand at room temperature in the dark for 10-15 min, and the chemiluminescence signal values were determined.
10547	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID No. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
10548	1	Electrophysiological Assay (In Vitro Assay)	Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.
10549	1	In Vitro Assay	All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for the JAK1, JAK 2, JAK3, and TYK2 enzyme assays, A represents a pKi value&#8805;10 (Ki&#8804;0.1 nM), B represents a pKi value between 9 and 10 (Ki between 1 nM and 0.1 nM), C represents a pKi value between 9 and 9.5 (Ki between 1 nM and 0.32 nM), and D represents a pKi value between 8.5 and 9 (Ki between 32 nM and 1 nM). For the BEAS-2B cell potency assay, A represents a pIC50 value&#8805;8 (IC50&#8804;10 nM) and B represents a pIC50 value between 7.4 and 8 (IC50 between 40 nM and 10 nM).
10550	1	LanthaScreen TR-FRET Assay	IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1× kinase buffer (#PV6135, Invitrogen, Life Technologies Grand Island, N.Y.) where total reaction volume was 10 &#956;L in low-volume 384-well plates (#4511, Corning). Serially diluted compounds (3-fold) were incubated with WEE1 Enzyme (1 nM) (#PR7373A, Invitrogen, Life Technologies Grand Island, N.Y.) for 10 min, following which a mixture of ATP (10 &#956;M) (#A1852, Sigma, St-Louis, Mo.) and fluorescent-PolyGT substrate (200 nM) (#PV3610, Invitrogen, Life Technologies Grand Island, N.Y.) was added and incubated in dark at room temperature for 1 h. After 1 h, 10 L stop solution containing Terbium labeled antibody (4 nM) (#PV3529, Invitrogen, Life Technologies Grand Island, N.Y.) and EDTA (#E5134, Sigma, St-Louis, Mo.) (20 mM) in TR-FRET dilution buffer (#PV3574, Invitrogen, Life Technologies Grand Island, N.Y.) was added. Readings were taken in a Synergy Neo Plate reader (BioTek, Winooski) at single excitation of 340 nm and Dual emission at 495 nm and 520 nm respectively.
10551	1	PDE4 Assay	The human PDE41 Dcatalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference compound. Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggers time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.
10546	1	In Vitro Assay	Nuclear extract preparations and DNA-binding activity/electrophoretic mobility shift assay (EMSA) were carried out as previously described (Zhang X, et al., (2010) Biochem Pharmacol 79:1398-409; Zhang X, et al., (2012) Proc Natl Acad Sci USA 109:9623-8). The 32P-labeled oligonucleotide probes used were hSIE (high affinity sis-inducible element from the c-fos gene, m67 variant, 5&#8242;-AGCTTCATTTCCCGTAAATCCCTA) (SEQ ID NO: 1) that binds Stat1 and Stat3 and MGFe (mammary gland factor element from the bovine &#946;-casein gene promoter, 5&#8242;-AGATTTCTAGGAATTCAA) (SEQ ID NO: 2) for Stat1 and Stat5 binding. Except where indicated, nuclear extracts were pre-incubated with compound for 30 min at room temperature prior to incubation with the radiolabeled probe for 30 min at 30° C. before subjecting to EMSA analysis. Where appropriate, bands corresponding to Stat3:DNA complexes were scanned and quantified for each concentration of compound using ImageJ and plotted as percent of control (DMSO) against concentration of compound, from which the IC50 values were derived.
10552	1	Fluorescence Intensity Assay (250 NAD)	Compounds are dispensed onto assay plates (black, low volume, flat bottom 384 well, Corning) using an Access Labcyte Workstation with the Labcyte Echo 55× from a DMSO solution. For the chosen highest assay concentration of 100 &#956;M, 150 nl of compound solution are transferred from a 10 mM DMSO compound stock solution. A series of 11 concentrations (10 1:5 steps) is transferred for each compound.DMSO is added such that every well has a total of 150 nl compound solution.The assay has been performed at two different NAD/3-PG ratios (final assay concentrations):PHGDH_HIGH_NAD/3-PG: 250 &#956;M NAD/500 &#956;M 3-PG5 &#956;l of PHGDH protein (final assay concentration 100 ng/ml) in assay buffer (125 mM Tris-HCl, pH 7.5; 56.25 mM Hydrazine sulfate pH 9.0; 2.5 mM EDTA; assay specific NAD concentration; 0.0125% Tween20) are added to the 150 nl of compounds.10 &#956;l of a mix containing assay specific 3-PG concentration, Resazurin (25 &#956;M final assay concentration) and Diaphorase (35 &#956;g/ml final assay concentration) are added. Plates are kept at room temperature. After 240 minutes incubation time the fluorescence signal is measured in a PerkinElmer Envision HTS Multilabel Reader with an excitation wavelength at 530-560 nm and an emission wavelength at 590 nm.
10552	2	Fluorescence Intensity Assay (500 NAD)	Compounds are dispensed onto assay plates (black, low volume, flat bottom 384 well, Corning) using an Access Labcyte Workstation with the Labcyte Echo 55× from a DMSO solution. For the chosen highest assay concentration of 100 &#956;M, 150 nl of compound solution are transferred from a 10 mM DMSO compound stock solution. A series of 11 concentrations (10 1:5 steps) is transferred for each compound.DMSO is added such that every well has a total of 150 nl compound solution.The assay has been performed at two different NAD/3-PG ratios (final assay concentrations):3-PGPHGDH_500_NAD/3-PG: 500 &#956;M NAD/500 &#956;M 3-PG5 &#956;l of PHGDH protein (final assay concentration 100 ng/ml) in assay buffer (125 mM Tris-HCl, pH 7.5; 56.25 mM Hydrazine sulfate pH 9.0; 2.5 mM EDTA; assay specific NAD concentration; 0.0125% Tween20) are added to the 150 nl of compounds.10 &#956;l of a mix containing assay specific 3-PG concentration, Resazurin (25 &#956;M final assay concentration) and Diaphorase (35 &#956;g/ml final assay concentration) are added. Plates are kept at room temperature. After 240 minutes incubation time the fluorescence signal is measured in a PerkinElmer Envision HTS Multilabel Reader with an excitation wavelength at 530-560 nm and an emission wavelength at 590 nm.
10553	1	In Vitro JAK Kinase Assay	JAK1 inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). ICsos of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.). 
10554	1	Inhibitory Activity Assay	EGFR (T790M)(L858R):The 2×EGFR (ErbB1) T790M L858R/Tyr 04 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 0.38-4.22 ng EGFR (ErbB1) T790M L858R and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
10554	2	Inhibitory Activity Assay	EGFR: The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 1.1-5.25 ng EGFR (ErbB1) and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
10554	3	Inhibitory Activity Assay	BTK: The 2×BTK/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 1.04-10.4 ng BTK and 2 &#956;M Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:256 dilution of Development Reagent B is added.
10554	4	Inhibitory Activity Assay	FGFR1: The 2×FGFR1/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.41-3.5 ng FGFR1 and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
10554	5	Inhibitory Activity Assay	FGFR2: The 2×FGFR2/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 &#956;L Kinase Reaction consists of 0.19-2.36 ng FGFR2 and 2 &#956;M Tyr 04 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 2 mM MnCl2, 1 mM EGTA, 1 mM DTT. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent B is added.
10554	6	Inhibitory Activity Assay	KDR: The 2×KDR (VEGFR2)/Tyr 01 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.5-11.7 ng KDR (VEGFR2) and 2 &#956;M Tyr 01 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:256 dilution of Development Reagent B is added.
10554	7	Inhibitory Activity Assay	JAK3: The 2×JAK3/Tyr 06 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.29-1.34 ng JAK3 and 2 &#956;M Tyr 06 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:64 dilution of Development Reagent A is added.
10555	1	Radioligand Binding Assay	The protocol used adenosine A2a (human) membrane (PerkinElmer RBHA2AM400UA) at a concentration of 5 &#956;g/well/100 &#956;l and the radioligand [3H] CGS-21680 (Cat No. PerkinElmer-NET1021250UC) at a final concentration of 6 nM. Testing compounds were diluted with DMSO to make 8-point 4-fold serial dilution, starting at 0.2 mM. CGS-15943 was the reference compound. 1 &#956;l of compounds/high control/low control was transferred to the assay plate according to a plate map, followed by 100 &#956;l of membrane stocks and 100 &#956;l of radioligand, in assay buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4). The plate was sealed and incubated at RT for 2 hours. Unifilter-96 GF/C filter plates (Perkin Elmer Cat #6005174) were soaked with 50 &#956;l of 0.3% PEI per well for at least 0.5 hour at room temperature. When the binding assays were completed, the reaction mixtures were filtered through GF/C plates using Perkin Elmer Filtermate Harvester, and each plate washed 4 times with cold wash buffer (50 mM Tris-HCl, 154 mM NaCl, pH 7.4). The filter plates were dried for 1 hour at 50 degrees. After drying, the bottom of the filter plate wells was sealed, 50 &#956;l of Perkin Elmer Microscint 20 cocktail was added, and the top of the filter plate was sealed. 3H trapped on the filter was counted using Perkin Elmer MicroBeta2 Reader. The data were analyzed with GraphPad Prism 5 to obtain binding IC50 values. 
10556	1	AlphaLisa Assay	Tau target (equal mixture of each construct at 300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated in 96-well plates at room temperature for 4 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). AlphaLisa acceptor beads & donor beads with ligands to the epitope tags (Perkin Elmer) were diluted (final 20 ug/mL per bead) in bead buffer (25 mM HEPES pH 7.4, 100 mM NaCl, 0.1% Tween-20), added to the wells and incubated 1 hour at room temperature. The positive control (non-incubated target) & blank (no tau) were prepared and mixed with beads in bead buffer and the plate was read immediately using the EnVision plate reader (Perkin Elmer).
10557	1	In Vitro Assay	Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy&#39;s 5A 90% (v/v), dialyzed FCS 10% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), 1 mM sodium pyruvate, P/S 1% (v/v) 50 &#956;g/ml Hygromycin, 100 &#956;g/ml Geneticin, 200 &#956;g/ml Zeocin), spinned down and resuspended in assay medium (McCoy&#39;s 5A 90% (v/v), dialyzed FCS 1% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), P/S 1% (v/v)). 10&#8242;000 cells per well (in 30 &#956;l) are seeded in a 384 well plate (black-walled, clear bottom). The plate is incubated at 37° C./5% CO2 for 24 hours. Test compounds are dissolved to 10 mM in DMSO and serially diluted in DMSO to 500× of the final concentration for dose response curves. Compounds are then diluted 1:100 in assay medium to 5× of the final concentration. 10 &#956;l/well of diluted compounds are added to the assay plate and incubated for 15 minutes at 37° C. Thereafter CXCL12/SDF1-&#945; is diluted in assay medium to 5× of the final concentration (its EC80 value for receptor activation) and 10 &#956;l/well are added to the assay plate. The agonist leads to activation of the receptor and therefore to b-arrestin recruitment. Compounds acting as antagonists reduce this activation. The plate is incubated for 22 hrs at 37° C. 10 &#956;l/well of detection reagent (LiveBLAzer -FRET BIG (CCF4-AM) substrate) is transferred to the assay plate and the plate is incubated for 2 hours at room temperature protected from light. Fluorescent counts are determined (Scan1: Ex 409/20 nm, Em 460/30 nm, Scan 2: Ex 409/20 nm, Em 530/30 nm). 
10558	1	PI3Kgamma Scintillation Proximity Assay	&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand island, NY), ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10558	2	PI3Kdelta Scintillation Proximity Assay	[&#947;-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (PtdIns(4,5)P2)D (+)-sn-1,2-di-O-octanoylglyceryl, 3-O-phospho linked (PIP2), CAS 204858-53-7, was purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, Mo.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10559	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID No. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
10560	1	Biochemical Assay	The following assay conditions were employed: Coupled Nucleotide Exchange Assay: Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated with a compound dose-response titration for 5 min in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100). Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 5 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10561	1	Biochemical Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP7 was diluted in reaction buffer (20 mM Tris, pH 7.5, 100 mM NaCl, 0.05% Tween 20, 0.5 mg/ml BSA, 5 mM beta mercaptoethanol) to the equivalent of 0.0025 &#956;l/well and 10 &#956;l of diluted USP7 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10562	1	Exonuclease Assay	To evaluate the effect of compounds on TREX1 activity, test compounds were serially diluted (11-point, 3-fold) from 10 mM stock solutions and delivered to 384-well low-volume assay plates in 80 nL DMSO using an acoustic dispenser. Next, 4 &#956;L of human TREX1 (0.5 nM), or murine TREX1 (1 nM), diluted in assay buffer (20 mM Tris pH 7.5, 5 mM MgCl2, 100 &#956;g/mL BSA, 0.002% Triton X-100, 2 mM DTT), was added to the assay plate. After incubating for 30 minutes, 4 &#956;L of labeled DNA oligonucleotide (500 nM) in assay buffer was added to initiate TREX1 exonuclease activity. The reaction was allowed to proceed for 45 minutes at room temperature prior to the addition of 4 &#956;L of 150 mM EDTA to halt TREX1 activity. Assay plates were equilibrated for an additional 30 minutes and read on an EnVision Plate Reader (Perkin Elmer) to measure fluorescence emission at 535 nm following excitation at 485 nm. Fluorescence was plotted as a function of log molar compound concentration and fit to four-parameter dose-response equation to determine compound IC50.
10563	1	ATPLITE assay	Acetyl-Histone Binding Assay. Assays were performed as described previously with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &#956;M and 4 &#956;l transferred to low-volume 384-well plates (ProxiPlate -384 Plus, PerkinElmer, USA), followed by 4 &#956;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were scaled and incubated at room temperature for 30 minutes, before the addition of 4 &#956;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2), and BRDT: H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH; peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &#956;l of streptavidin-coated donor beads (25 &#956;g/ml) and 4 &#956;l nickel chelate acceptor beads (25 &#956;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERAstar FS plate reader (BMG Labtech, Germany) using an AlphaScreen 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GraphPad Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &#956;l reaction volume.
10564	1	MKNK1 Kinase High ATP Assay	MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET-based MKNK1 high ATP assay as described in the following paragraphs.A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession number BAA 19885.1), expressed in insect cells using baculovirus expression system and purified via glutathione sepharose affinity chromatography, was purchased from Carna Biosciences (product no 02-145) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-IKKRKLTRRKSLKG (SEQ ID NO: 1) (C-terminus in amide form) was used, which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany)For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of MKNK1 in aqueous assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 0.005% (v/v) Nonidet-P40 (Sigma)] was added and the mixture was incubated for 15 mM at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.3 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (0.1 &#956;M=>final conc. in the 5 &#956;L assay volume is 0.06 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of MKNK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.003 &#956;g/mL. The reaction was stopped by the addition of 5 &#956;L of a solution of TR-FRET detection reagents (5 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1 nM anti-ribosomal protein S6 (pSer236)-antibody from Invitrogen [#44921G] and 1 nM LANCE EU-W1024 labeled ProteinG [Perkin-Elmer, product no. AD0071]) in an aqueous EDTA-solution (100 mM EDTA, 0.1% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
10566	1	H-cGAMP Filtration Binding Assay (HAQ STING)	The ability of compounds to bind STING is quantified by their ability to compete with tritiated cGAMP ligand for human STING receptor membrane using a radioactive filter-binding assay. The binding assay employs STING receptor obtained from Trichoplusia ni (T. ni; Expression Systems, cat #94-002F, Expression Systems, Davis, Calif., USA) cell membranes overexpressing full-length HAQ STING prepared in-house and tritiated cGAMP ligand also purified in-house.
10567	1	ROCK1 and ROCK2 Compound Selectivity	Dose response curves for Rho-kinase inhibition were derived from a Invitrogen Z&#8242;-LYTE Kinase Assay Kit (Invitrogen catalog number PV3793). Purified active ROCK1 and ROCK2 were obtained from Invitrogen (catalog numbers ROCK1, PV3691 and ROCK2, PV3759). The kit components include a coumarin and fluorescein labeled peptide based on myosin light chain 2 (KKRPQRRYSNVF), a proprietary protease containing development reagent and a proprietary Stop buffer used to terminate the development reaction. The inhibitory activities of compounds are measured according to the manufactures protocol. Briefly, decreasing concentrations of test compounds or the known ROCK inhibitor Y-27963, are added, from 10 uM to 2.56×10&#8722;5 uM to reaction buffer containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 5 mM EGTA, and 0.05% Brij-35 and of ROCK1 at 0.18 ug/mL or ROCK2 at 0.8 ug/mL in assay dilution buffer. This mixture is overlayed into a white 96-well half area plate and the reaction is initiated with the addition of 5 uM ATP for ROCK1 or 12 uM ATP for ROCK2. The assay proceeds at room temperature for 1 hour followed by the addition of development reagent, and further incubation for 1 hour at room temperature. STOP reagent is then added and the reaction and immediately the coumarin and fluorescein emission signals are read on a Tecan Infinite M1000 fluorescence plate reader (excitation: 400 nm; emission 445 and 520 nm, respectively). By comparing the emission ratios of the test samples against control samples, percent phosphorylation values are calculated and the concentration of inhibitor that produces inhibition of kinase activity (IC50) is determined using Prism.
10568	1	h-SERT Binding Assay	The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In specific, a solution of 200 &#956;L in total was prepared by mixing 50 &#956;L of [3H] citalopram (manufactured by GE Healthcare) diluted with a SERT buffer (final concentration: about 2 nmol/L), 149 &#956;L of the h-SERT/CHO membrane preparation (protein amount: 40 &#956;g/well), and 1 &#956;L of the test drug dissolved in dimethylsulfoxide. The solution was reacted at room temperature for 60 minutes, and then quickly suction-filtered under reduced pressure through a glass fiber filter coated with 0.05% aq. polyethyleneimine. The glass fiber filter was washed twice with 250 HL of the SERT buffer, placed in a plastic vial containing 4 mL of liquid scintillator (ACS-II, manufactured by Amersham) or Ecoscint A (manufactured by National Diagnostics), and the remaining radioactivity on the filter paper was assayed with a liquid scintillation counter. The non-specific binding of [3H] citalopram was defined as a binding amount in the presence of 1 &#956;mol/L clomipramine (manufactured by Sigma Aldrich) The IC50 value was calculated according to Hill analysis [see, Hill A. V., J. Physiol., 40, 190-200 (1910)], and the binding inhibition constant (Ki) was calculated according to the following formula:Binding inhibition constant (Ki)=IC50/(1+S/Kd)wherein S is a concentration of the added [3H] citalopram, and Kd is a binding dissociation constant of [3H] citalopram which was calculated from a saturated binding assay using the same cell membrane. A lower Ki value (i.e. a lower h-SERT binding inhibition constant) means that the test drug has a stronger human serotonin reuptake inhibitory action. 
10568	2	5-HT2C Receptor Binding Assay	A solution of 200 &#956;L in total was prepared by mixing 50 &#956;L of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (final concentration: about 2 nmol/L), 149 &#956;L of the h-5-HT2C/CHO membrane preparation (protein amount: 20 &#956;g/well), and 1 &#956;L of the test drug dissolved in dimethylsulfoxide. The solution was reacted at 37° C. for 30 minutes, and then quickly suction-filtered under reduced pressure through a glass fiber filter coated with 1% aq. bovine serum albumin. The glass fiber filter was washed twice with 250 &#956;L of 50 mmol/L Tris-HCl (pH=7.4), placed in a plastic vial containing 4 mL of liquid scintillator (ACS-II, manufactured by Amersham) or Ecoscint A (manufactured by National Diagnostics), and the remaining radioactivity on the filter paper was assayed with a liquid scintillation counter. The non-specific binding of [3H] mesulergine was defined as a binding amount in the presence of 10 &#956;mol/L SB206553 (manufactured by Sigma Aldrich). The IC50 value was calculated according to Hill analysis, and the binding inhibition constant (Ki) was calculated according to the following formula:Binding inhibition constant (Ki)=IC50/(1+S/Kd)wherein S is a concentration of the added [3H] mesulergine, and Kd is a binding dissociation constant of [3H] mesulergine which was calculated from a saturated binding assay using the same cell membrane. A lower Ki value (i.e. a lower 5-HT2C binding inhibition constant) means that the test drug has a higher affinity for human serotonin reuptake inhibitory action. 
10569	1	Determination of Cathepsin K Proteolytic Catalytic Activity	Standard assay conditions for the determination of kinetic constants used a fluorogenic peptide substrate, typically H-D-Ala-Leu-Lys-AMC, and were determined in either 100 mM Mes/Tris, pH 7.0 containing 1 mM EDTA and 10 mM 2-mercaptoethanol or 100mMNa phosphate, imM EDTA, 0.1% PEG4000 pH 6.5 or 100 mM Na acetate, pH 5.5 containing 5 mM EDTA and 20 mM cysteine, in each case optionally with 1M DTT as stabiliser. The enzyme concentration used was 5 nM. The stock substrate solution was prepared at 10 mM in DMSO. Screens were carried out at a fixed substrate concentration of 60 &#956;M and detailed kinetic studies with doubling dilutions of substrate from 250 &#956;M. The total DMSO concentration in the assay was kept below 3%. All assays were conducted at ambient temperature. Product fluorescence (excitation at 390 nm, emission at 460 nm) was monitored with a Labsystems Fluoroskan Ascent fluorescent plate reader. Product progress curves were generated over 15 minutes following generation of AMC product.
10569	2	Cathepsin S Ki Determination	The assay uses baculovirus-expressed human cathepsin S and the boc-Val-Leu-Lys-AMC fluorescent substrate available from Bachem in a 384 well plate format, in which 7 test compounds can be tested in parallel with a positive control comprising a known cathepsin S inhibitor comparator.
10570	1	Evaluation of Antiviral Activity of Compounds Against Human Coronavirus (HCov) 229E and OC43 in the Cytopathic Effect (CPE) Assays	Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of compounds was calculated based on the protection of the virus-induced CPE at each concentration normalized by the virus control.Reagents and instruments used in this assay include luminescent cell viability assay kit CellTiter Glo (Promega) and Microplate Reader Synergy2 (BioTek).
10570	2	Evaluation of Antiviral Activity of Compounds Against COVID-19 (nCoV-2019, SARS-CoV2) Mpro in the Enzymatic Assay	Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-tagged Mpro (NC_045512) was cloned, expressed in E. coli and purified. The assay buffer contained 20 mM of Tris-HCl (pH 7.3), 100 mM of NaCl, 1 mM of EDTA, 5 mM of TCEP and 0.1% BSA. The final concentrations of the Mpro protein and substrate were 25 nM and 25 &#956;M, respectively, in the Mpro enzymatic assay. The Km of the Mpro substrate for the protease was 13.5 &#956;M.The compounds were added to an assay plate. For 100% inhibition control (HPE, hundred percent effect), 1 &#956;M GC376 was added. For no inhibition control (ZPE, zero percent effect), no compound was added. Each activity testing point had a relevant background control to normalize the fluorescence interference of compound.IC50 values of compounds were calculated with the GraphPad Prism software using the nonlinear regression model of log(inhibitor) vs. response Variable slope (four parameters).
10571	1	Adenosine A2a Receptor	CHO-K1/A2aR cells were cultured in DMEM/F12 medium containing 10% fetal bovine serum and 800 &#956;g/ml bleomycin. The cells were digested with the cell separation buffer during the experiment. The cells were resuspended in the balanced salt buffer containing 20 mM HEPES and 0.1% bovine serum albumin and counted, and the cell density was adjusted to 106 cells/ml. In the 384-well plate, each well was added with 5 &#956;l of cell suspension, and 2.5 &#956;l of test compound (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. Each well was then added with 2.5 &#956;l of ethyl carbazole (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. The final concentrations of the compounds were: 10000, 2000, 400, 80, 16, 3.2, 0.64, 0.128, 0.0256, 0.00512, and 0.001024 nM. The final concentration of ethyl carbazole was 20 nM. Intracellular cAMP concentration was detected with the cAMP dynamic 2 kit. cAMP-d2 and Anti-cAMP-Eu-Cryptate were diluted respectively with the cAMP lysis buffer at a ratio of 1:4. Each well was added with 5 &#956;l of diluted cAMP-d2, followed by addition of 5 &#956;l of diluted Anti-cAMP-Eu-Cryptate, and the plate was incubated at room temperature in the dark for 1 hour. The HTRF signal values were read by the PHERAstar multi-function microplate reader. IC50 values of inhibition activity of the compounds were calculated by Graphpad Prism software.
10571	2	Adenosine A1 receptor	CHO-K1/A1R cells were cultured in DMEM/F12 medium containing 10% fetal bovine serum and 1 mg/ml G418. The cells were digested with the cell separation buffer during the experiment. The cells were then resuspended in the balanced salt buffer containing 20 mM HEPES and 0.1% bovine serum albumin and counted, and the cell density was adjusted to 5×105 cells/ml. In the 384-well plate, each well was added with 12.5 &#956;l of cell suspension, and 6.25 &#956;l of test compound (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. Each well was then added with 6.25 &#956;l of forskolin and N6-cyclopentyladenosine (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. The final concentrations of the compounds were: 100000, 10000, 1000, 100, 10, 1, 0.1 and 0 nM. The final concentration of forskolin was 10 &#956;M. The final concentration of CPA was 10 nM. Intracellular cAMP concentration was detected with the cAMP dynamic 2 kit. cAMP-d2 and Anti-cAMP-Eu-Cryptate were diluted respectively with the cAMP lysis buffer at a ratio of 1:4. Each well was added with 12.5 &#956;l of diluted cAMP-d2, followed by addition of 12.5 &#956;l of diluted Anti-cAMP-Eu-Cryptate, and the plate was incubated at room temperature in the dark for 1 hour. The HTRF signal values were read by the PHERAstar multi-function microplate reader. IC50 values of inhibition activity of the compounds were calculated by Graphpad Prism software.
10571	3	Adenosine A3 receptor	CHO-K1/A3R cells were cultured in DMEM/F12 medium containing 10% fetal bovine serum and 10 &#956;g/ml puromycin. The cells were digested with the cell separation buffer during the experiment. The cells were resuspended in the balanced salt buffer containing 20 mM HEPES and 0.1% bovine serum albumin and counted, and the cell density was adjusted to 5×105 cells/ml. In the 384-well plate, each well was added with 12.5 &#956;l of cell suspension, and 6.25 &#956;l of test compound (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. Each well was then added with 6.25 &#956;l of forskolin and 2Cl-IB-MECA (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. The final concentrations of the compounds were: 100000, 10000, 1000, 100, 10, 1, 0.1 and 0 nM. The final concentration of forskolin was 10 &#956;M. The final concentration of 2Cl-IB-MECA was 5 nM. Intracellular cAMP concentration was detected with the cAMP dynamic 2 kit. cAMP-d2 and Anti-cAMP-Eu-Cryptate were diluted respectively with the cAMP lysis buffer at a ratio of 1:4. Each well was added with 12.5 &#956;l of diluted cAMP-d2, followed by addition of 12.5 &#956;l of diluted Anti-cAMP-Eu-Cryptate, and the plate was incubated at room temperature in the dark for 1 hour. The HTRF signal values were read by the PHERAstar multi-function microplate reader. ICH) values of inhibition activity of the compounds were calculated by Graphpad Prism software.
10571	4	Adenosine A2b receptor (A2bR)	CHO-K1/A2bR cells were cultured in DMEM/F12 medium containing 10% fetal bovine serum and 1 mg/ml G418. The cells were digested with the cell separation buffer during the experiment. The cells were resuspended in the balanced salt buffer containing 20 mM HEPES and 0.1% bovine serum albumin and counted, and the cell density was adjusted to 106 cells/ml. In the 384-well plate, each well was added with 5 &#956;l of cell suspension, and 2.5 &#956;l of test compound (4× concentration) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. Each well was then added with 2.5 &#956;l of ethyl carbazole (4× concentration) (Torcis, 1691/10) formulated with the balanced salt buffer containing 20 mM HEPES, 0.1% bovine serum albumin, 54 &#956;M rolipram and 2.7 U/ml adenosine deaminase, and the plate was incubated at room temperature for 30 minutes. The final concentrations of the compounds were: 100000, 10000, 1000, 100, 10, 1, 0.1 and 0 nM. The final concentration of ethyl carbazole was 1 &#956;M. Intracellular cAMP concentration was detected with the cAMP dynamic 2 kit. cAMP-d2 and Anti-cAMP-Eu-Cryptate were diluted respectively with the cAMP lysis buffer at a ratio of 1:4. Each well was added with 5 &#956;l of diluted cAMP-d2, followed by addition of 5 &#956;l of diluted Anti-cAMP-Eu-Cryptate, and the plate was incubated at room temperature in the dark for 1 hour. The HTRF signal values were read by the PHERAstar multi-function microplate reader. IC50 values of inhibition activity of the compounds were calculated by Graphpad Prism software.
10572	1	GOAT activity assay	GOAT activity was assessed using a time-resolved fluorescence energy transfer (TR-FRET) assay in a 384-well format. His-tag human GOAT enzyme was in the form of a cell membrane preparation from sf9 cells infected with hGOAT-V5-His baculovirus. Varying concentrations of test compound with final DMSO concentration kept to 0.5% were added to membrane solution. Human GOAT membrane activity was established in a buffer having final concentration 0.25 mg/mL in 50 mM MOPS, pH7.5; 50 mM KCl; 0.1 mg/mL BSA; 50 &#956;M CHAPS; and 2 mM EDTA. Substrate solution consisting of biotinylated ghrelin peptide (final concentration 100 nM), octanoyl coA (final concentration 2 &#956;M) and palmitoyl CoA (final concentration 50 &#956;M) was added to initiate the reaction. Plates were sealed, centrifuged for 1 minute at 2000 rpm, then incubated at 30° C. for 80 minutes with gentle shaking on an Eppendorf mix plate. Reaction termination and detection mix consisting of chicken anti-active ghrelin antibody (final concentration of 10 nM), Europium W1024-labeled streptavidin (final concentration of 4 nM), GOAT anti-chicken Dylight (final concentration of 12.5 nM), and GS[DAP-oc]-FL-amide inhibitor (final concentration of 1 &#956;M) was added before further incubation for 40 minutes at 30° C. The plate was then read on an Envision in HTRF mode with excitation filter UV (TRF) 340 and first emission filter of APC 665 and a second emission filter of Europium 615. HTRF readings were acquired as per instrument defined LANCE-DELFIA protocol with a delay and window times of 50 &#956;s for both; number of sequential windows: 1; time between flashes: 2000 &#956;s between each of 100 flashes and 10 flashes for the second detector. The HTRF ratio was calculated directly by the instrument as the ratio of 665 window/615 window. Percent inhibition was calculated as 100&#8722;(100×(U&#8722;NC)/(PC&#8722;NC)) where U was the unknown value HTRF ratio (test compound value), NC was the negative control (100% inhibition value generated from a potent inhibitor), and PC was the positive control (100% activity generated from 0.5% DMSO vehicle). IC50 values were generated in GraphPad Prism (Version 4.03) using non-linear regression curve fit and sigmoidal dose response variable slope analysis.
10573	1	Human TAAR1 assay	For the construction of expression plasmids the coding sequences of human TAAR1 were amplified from genomic DNA essentially as described by Lindemann et al. [14]. The Expand High Fidelity PCR System (Roche Diagnostics) was used with 1.5 mM Mg2+ and purified PCR products were cloned into pCR2.1-TOPO cloning vector (Invitrogen) following the instructions of the manufacturer. PCR products were subcloned into the pIRESneo2 vector (BD Clontech, Palo Alto, Calif.), and expression vectors were sequence verified before introduction in cell lines.HEK293 cells (ATCC #CRL-1573) were cultured essentially as described by Lindemann et al. (2005). For the generation of stably transfected cell lines HEK293 cells were transfected with the pIRESneo2 expression plasmids containing the TAAR coding sequences (described above) with Lipofectamine 2000 (Invitrogen) according to the instructions of the manufacturer, and 24 hrs post transfection the culture medium was supplemented with 1 mg/ml G418 (Sigma, Buchs, Switzerland). After a culture period of about 10 d clones were isolated, expanded and tested for responsiveness to trace amines (all compounds purchased from Sigma) with the cAMP Biotrak Enzyme immunoassay (EIA) System (Amersham) following the non-acetylation EIA procedure provided by the manufacturer. Monoclonal cell lines which displayed a stable EC50 for a culture period of 15 passages were used for all subsequent studies.
10573	2	Human ERG (hERG) assay	The whole-cell patch-clamp technique was used to investigate the effects of the test items on hERG (human-ether-a-go-go related gene) potassium channels in stably transfected CHO cells near physiological temperature (36±1° C.). The effects of compounds on hERG K+-current parameters were evaluated at 4 concentrations (0.3-3-30-300 &#956;M) in at least 3 CHO cells stably expressing the hERG channel. For electrophysiological measurements cells were seeded onto 35 mm sterile culture dishes containing 2 ml culture medium without Hygromycin B. Cells were cultivated at a density that enabled single cells (without visible connections to neighbouring cells) to be measured. Cells were incubated at 37° C. in a humidified atmosphere with 5% CO2 (rel. humidity about 95%). The cells were continuously maintained in and passaged in sterile culture flasks containing nutrient mixture F-12 (DMEM/F-12 with L-Glutamine) supplemented with 10% foetal bovine serum and 10% penicillin/streptomycin solution. Every day at least three cells were treated with a selective IKr blocker (E-4031, reference substance) to assure accuracy of the method. The 35 mm culture dishes upon which cells were seeded at a density allowing single cells to be recorded were placed on the dish holder of the microscope and continuously perfused (at approximately 1 ml/min) with the bath solution (sodium chloride 150 mM, potassium chloride 4 mM, calcium chloride 1.2 mM, magnesium chloride 1 mM, HEPES 10 mM, pH (NaOH) 7.4) at near physiological temperature (36±1° C.). After formation of a Gigaohm seal between the patch electrodes and individual hERG stably transfected CHO cells (pipette resistance range: 2.0 M&#937;-7.0 M&#937;; seal resistance range: >1 G&#937;) the cell membrane across the pipette tip was ruptured to assure electrical access to the cell interior (whole-cell patch-configuration). In case the quality of the seal was poor, the process of seal formation was repeated with a different cell and a new pipette. As soon as a stable seal was established, hERG outward tail currents were measured upon depolarization of the cell membrane to &#8722;40 mV for 50 ms followed by 500 ms at +20 mV (activation of channels) from a holding potential of &#8722;80 mV and upon subsequent repolarization to &#8722;40 mV for 500 ms. This voltage protocol was run at least 10 times at intervals of 10 s. If current density was judged to be too low for measurement, another cell was recorded. Once control recordings have been accomplished, cells were continuously perfused with a bath solution containing the test items. During wash-in of the test item the voltage protocol indicated above was run continuously again at 10 s intervals until the steady-state level of block was reached. The four test item concentrations of the compound were applied sequentially to 3 cells in a cumulative manner. As hERG tail currents were inhibited by the test item, the concentration-response curve was generated and IC50 value calculated.
10573	3	Human DAT assay	Binding to dopamine transporter (DAT) in vitro. Human embryonic kidney (HEK) 293 cells (Invitrogen, Zug, Switzerland) stably transfected with human DAT were cultured. The cells were collected and washed three times with phosphate-buffered saline (PBS). The pellets were frozen at &#8722;80° C. The pellets were then resuspended in 400 ml of 20 mM HEPES-NaOH, pH 7.4, that contained 10 mM EDTA at 4° C. After homogenization with a Polytron (Kinematica, Lucerne, Switzerland) at 10000 rotations per minute (rpm) for 15 s, the homogenates were centrifuged at 48000×g for 30 min at 4° C. Aliquots of the membrane stocks were frozen at &#8722;80° C. All assays were performed at least three times. The test compounds were diluted in 20 ml of binding buffer (252 mM NaCl, 5.4 mM KCl, 20 mM Na2HPO4, 3.52 mM KH2PO4, pH 7.4) and 10 point dilution curves were made and transferred to 96-well white polystyrene assay plates (Sigma-Aldrich, Buchs, Switzerland). [3H]-WIN35,428 (&#152;86 Ci/mmol; Perkin-Elmer) was the radioligand for the DAT assay and had a Kd of 12 nM. Fifty microliters of [3H]-WIN35,428 (&#152;40 nM concentration) was added to each well of the hDAT assay plates, targeting a final [3H]-WIN35428 concentration of 10 nM. Twenty microliters of binding buffer alone in the assay plate defined the total binding, whereas binding in the presence of 10 &#956;M indatraline defined nonspecific binding. Frozen DAT membrane stocks were thawed and resuspended to a concentration of approximately 0.04 mg protein/ml binding buffer (1:1 diluted in H2O) using a polytron tissue homogenizer. The membrane homogenates (40 &#956;g/ml) were then lightly mixed for 5-30 min with polyvinyl toluene (PCT) wheat germ agglutinin-coated scintillation proximity assay (WGASPA; Amersham Biosciences) beads at 7.7 mg beads/ml homogenate. One hundred thirty microliters of the membrane/bead mixture were added to each well of the assay plate that contained radioligand and test compounds (final volume in each well, 200 &#956;l) to start the assay, which was incubated for approximately 2 h at room temperature with agitation. The assay plates were then counted in the PVT SPA counting mode of a Packard Topcount. Fifty microliters of the [3H]-WIN35428 stocks were counted in 5 ml of ReadySafe scintillation cocktail (Beckman Industries) on a Packard 1900CA liquid scintillation counter to determine the total counts added to the respective assays. Non-linear regression was used to fit the data to sigmoid curves and determine IC50 values for binding and uptake. Ki values for binding and uptake were calculated using the following Cheng-Prusoff equation: Ki=IC50/(1+[S]/Km).
10574	1	Calcium Flux Assay	An in vitro assay was used to determine the potency of test compounds as inhibitors of the glutamate response of the channel formed by GluA1o-&#947;8. To ensure a 1:1 stoichiometry of GluA1o and &#947;8 subunits in the expressed channel, a fusion of the cDNAs for GRIA1o and CACNG8 was used. Following Shi et al (2009) The stoichiometry of AMPA receptors and TARPs varies by neuronal cell type. Neuron 62(5): 633-640), the C-terminus of the cDNA for GRIA1o was fused to the N-terminus of the cDNA for &#947;8. The linker sequence was QQQQQQQQQQEFAT. Channels expressed with this construct appear to have similar properties to channels formed by co-expression of GRIA1o with an excess of CACNG8 (Shi et al. 2009). A clonal cell line in HEK293 cells stably expressing this construct, with a geneticin selection marker, was generated for use in this assay.Cell expressing the GRIA1o-CACNG8 fusion construct were grown in a monolayer in 96- or 384-well microtiter plates. They were washed with assay buffer (135 mM NaCl, 4 mM KCl, 3 mM CaCl2, 1 mM MgCl2, 5 mM glucose, 10 mM HEPES, pH 7.4, 300 mOs) using a Biotek EL405 plate washer. The cells were then loaded with a calcium-sensitive dye (Calcium-5 or Calcium-6, Molecular Devices) and the test compounds at a range of concentrations. Calcium flux following the addition of 15 &#956;M glutamate was monitored using a Molecular Devices FLIPR Tetra. The fluorescence in each well was normalized to the fluorescence of negative and positive control wells. The negative control wells had no added compounds, and the positive control wells had been incubated with 10 &#956;M CP465022 (a non-subtype-selective AMPA receptor antagonist) (Lazzaro et al. (2002). Functional characterization of CP-465,022, a selective, noncompetitive AMPA receptor antagonist. Neuropharmacology 42(2): 143-153). The responses to glutamate as functions of the test compound concentrations were fitted to a four-parameter logistic function. The fitted parameter corresponding to the midpoint was taken to be the potency of inhibition of the compound. The data in Table 4 below illustrates the observed potentcy for the compounds described herein. pIC50 refers to the negative log of the IC50 in molar.
10575	1	LRRK2 Assay	LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incubated with a fluorescein-labeled peptide substrate based upon ezrin/radixin/moesin (ERM), also known as LRRKtide (Invitrogen cat #PR8976A), in the presence of a dose response of compound. Upon completion, the assay was stopped and detected with a terbium labeled anti-phospho-ERM antibody (Invitrogen, cat #PR8975A). The assay was carried out under the following protocol: The compound dose response was prepared by diluting compound to a top concentration of 0.3 mM in 100% DMSO and serial diluted by half-log in DMSO to give an 11 point curve, 100× final assay concentration. Using Echo acoustic dispensing, 60 nL of compound was transferred to a low volume Corning 384-well assay plate. 3 &#956;L of a working solution of substrate (200 nM LRRKtide, 2 mM ATP) prepared in assay buffer (50 mM HEPES, pH 7.5, 3 mM MgCl2, with 2 mM DTT and 0.01% Brij35 added fresh) was added to the 60 nL compound assay plate. The kinase reaction was started with 3 &#956;L of a working solution of LRRK2 enzyme at a concentration of 4 &#956;g/m L. The final reaction concentrations were 100 nM LRRKtide, 1 mM ATP, 2 &#956;g/mL LRRK2 enzyme and a compound dose response with a top dose of 3 &#956;M. The reaction was allowed to progress at room temperature for 30 minutes and then stopped with the addition of 6 &#956;L of detection buffer (20 mM Tris pH 7.6, 0.01% NP-40, 6 mM EDTA with 2 nM terbium labeled antiphospho-ERM). After an incubation of 1 hour at room temperature, the plate was read on an Envision with an excitation wavelength of 340 nm and a reading emission at both 520 nm and 495 nm. The ratio of the 520 nm and 495 nm emission was used to analyze the data. Inhibition of mutant G2019S LRRK2 (Invitrogen cat #PV4881) was measured in the exact same method. All final concentrations of substrate ATP and enzyme were the same.
10576	1	Radioligand In Vitro Binding Assays on Recombinant and Native Tau Protein	[3H]compound binding to Tau protein methods were adapted from Nobuyuki et al (2013). Biological samples as described above (0.2-50 &#956;g proteins per assays) were incubated for 60 min at 25° C. with [3H]compound in 0.2 ml of PBS containing 0.1% bovine serum albumin (Sigma-Aldrich, Diegem, Belgium). At the end of the incubation period, the protein-bound radioligand was recovered by reduced pressure filtration through GF/F glass fiber filters (GE Healthcare, Diegem, Belgium) pre-soaked in 0.1% polyethyleneimine (Sigma-Aldrich, Diegem, Belgium). Filters were washed with at least 4 times the assay volume of ice-cold PBS (pH 7.4). The entire filtration step did not exceed 10 sec The filters were dried and the radioactivity determined by liquid scintillation. Saturation binding assays were carried out using increasing concentrations of [3H]compound (0.5 to 100 nM). Competition binding experiments were carried out at constant [3H]compounds concentration (15 nM) and increasing concentrations of unlabeled competing compounds (10 concentration data point from 10 &#956;M to 0.1 nM). pIC50 were corrected to pKi according to Cheng and Prusoff (1973). In all experiments, the NSB was defined as the residual binding of [3H]compound observed in the presence of 10 &#956;M T807.
10577	1	Measurement of A2a Binding Affinity Using Radioligand Binding	148 &#956;L (5 &#956;g/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 &#956;L compounds of the invention to be tested (test compound) were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 minutes at room temperature. [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) was diluted in assay buffer (50 mM Tris pH 7.4, 10 mM MgCl2, 0.005% Tween20) to a concentration of 4 nM and 50 &#956;L transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 1 &#956;M ZM241385 (Tocris Bioscience, Cat. No. 1036) respectively, were also included. The assay plate was incubated at room temperature for 60 minutes with agitation. Using a FilterMate Harvester (Perkin Elmer), the contents of the assay plate were filtered through a UniFilter-96 PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 seconds, then washing and aspirating the contents three times with ice-cooled wash buffer (50 mM Tris-HCl pH 7.4, 150 mM NaCl) and allowing the vacuum manifold to dry the plate for 30 seconds. The filter plate was incubated for at least 1 hour at 55° C., and allowed to dry. The bottom of the filter plate was sealed with backing tape. 40 &#956;L Ultima Gold (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS clear plate seal (Perkin Elmer, Cat. No. 6050185). The plate was incubated for at least 20 minutes, and then the amount of radioactivity remaining in each well was determined using a TopCount (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
10577	2	Measurement of A2b Binding Affinity	The reported affinity of the compounds of the invention for the human A2b adenosine receptor was determined experimentally using a radioligand filtration binding assay. This assay measures the amount of binding of a tritiated proprietary A2b receptor antagonist, in the presence and absence of a compound of the invention, to membranes made from HEK293 cells recombinantly expressing the human A2b adenosine receptor (Perkin Elmer, Cat. No. ES-013-C).To perform the assay, compounds of the invention to be tested were first solubilized in 100% DMSO and further diluted in 100% DMSO to generate, typically, a 10-point titration at half-log intervals such that the final assay concentrations did not exceed 10 &#956;M of compound or 1% DMSO. 148 &#956;L (135 &#956;g/mL) membranes and 2 &#956;L test compounds were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 minutes at room temperature with agitation. Tritiated radioligand was diluted to a concentration of 14 nM in assay buffer (phosphate buffered saline without Magnesium and Calcium, pH 7.4; GE Healthcare Life Sciences, Cat. No. SH30256.01) and then 50 &#956;L of the solution were transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 20 &#956;M N-ethylcarboxamidoadenosine (Tocris Bioscience, Cat. No. 1691) respectively, were also included. The wells of the assay plate were incubated at room temperature for 60 minutes with agitation, then filtered using a FilterMate Harvester (Perkin Elmer) or similar equipment through a UniFilter-96 PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 seconds, then washing and aspirating the contents three times with ice-cooled wash buffer (assay buffer supplemented with 0.0025% Brij58) and allowing the vacuum manifold to dry the plate for 30 seconds. The filter plate was incubated for at least 1 hour at 55° C. and allowed to dry. The bottom of the filter plate was then sealed with backing tape. 40 &#956;L Ultima Gold (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS clear plate seal (Perkin Elmer, Cat. No. 6050185). The plates were then incubated for at least 20 minutes, and then the amount of radioactivity remaining in each well was determined using a TopCount (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
10578	1	FP-based equilibrium competition assay 	EC50 values were determined by FP-based equilibrium competition assay performed in 384-well format using whole cell lysates prepared from C. neoformans (a) and C. albicans (c) and serial compound dilutions. All determinations were performed in duplicate. To calculate fold-selectivity (b), the EC50 value determined in human HepG2 cell lysate was divided by the EC50 value determined in fungal cell lysate. The resulting ratio was then normalized to values determined in the same assay for the non-selective inhibitor geldanamycin using lysate of each cell type. Results for key selective compounds were confirmed by repeat assay.
10579	1	Factor XIIa (FXIIa) Inhibitory Activity	In a 96-well clear bottom plate, 80 &#956;l of assay buffer was added to each well. Assay buffer consists of 0.5× Hank&#39;s Balanced Salt Solution (Invitrogen), buffered with 25 mM HEPES pH 7.4 (Invitrogen) and 0.5× Tris-buffered saline with Tween-20 0.05% (Santa Cruz Biotechnology). Test compounds were first dissolved in DMSO (Sigma) and then 4 &#956;l were added to test wells containing assay buffer. Serial dilutions using an automated multi-channel pipette were used to generate a concentration range of approximately 1-100 &#956;M. Human FXIIa (Enzyme Research Labs) was diluted in assay buffer to a final concentration of 12.5 nM. 80 &#956;l of this enzyme solution was added to the assay wells. The enzyme/compound mixtures were incubated for 10 minutes at room temperature. Chromogenic substrate (Pefachrome XIIa; Enzyme Research Labs) was added to assay wells at a final concentration of 400 &#956;M. The assay plate was spun for 1 minute at 1500 g and then read at 37° C. in a SpectraMax M2 plate reader (&#955;=405 nm). Activity was quantified as the rate of change in absorbance, which corresponds to the rate of substrate cleavage. IC50 values were determined as the concentration of inhibitor that produced 50% of the rate of change of control wells without any inhibitor. For compounds with activity <1 &#956;M, the assay was repeated with a lower concentration range, typically from 10-1000 nM.
10579	2	Counterscreens for Selectivity	Thrombin. In a 96-well white opaque plate, 80 &#956;l of assay buffer was added to each well. Test compounds were added, and serially diluted as above, to generate a concentration range of approximately 1-100 &#956;M. Human alpha-thrombin (Enzyme Research Labs) was diluted in assay buffer to a final concentration of 12.5 nM. 80 &#956;l of this enzyme solution was added to the assay wells. The enzyme/compound mixtures were incubated for 10 minutes at room temperature. Fluorogenic substrate (Boc-Val-Pro-Arg-7-amido-4-methylcoumarin; Sigma) was added to assay wells at a final concentration of 20 &#956;M. The assay plate was spun for 1 minute at 1500 g and then read at 37° C. in a SpectraMax M2 plate reader (&#955;ex=380 nm and &#955;em=460 nm). Activity was quantified as the rate of change in fluorescence, which corresponds to the rate of substrate cleavage. IC50 values were determined as the concentration of inhibitor that produced 50% of the rate of change of control wells without any inhibitor. For compounds with activity <1 &#956;M, the assay was repeated with a lower concentration range, typically from 10-1000 nM.
10580	1	BRD4 Biochemical Activity Test	The experiment plate was a plate that contained a gradient concentration of the compound and a corresponding DMSO solution and was prepared with ECHO before the experiment:a) The experiment plate was taken out, and 5 &#956;L/well of solution A (protein solution) was added to columns 2-23 of the experiment plate, then 5 &#956;L/well of 1× assay buffer was added to columns 1 and 24 of the experiment plate, and columns 1 and 24 were used as Min control in the experiment system;b) Centrifugation at 1000 rpm was carried out for 30 seconds;c) The plate was incubated at 23° C. for 20 minutes;d) After 20 minutes of incubation, 5 &#956;L/well of solution B (polypeptide solution) was added to columns 1-24 of the experiment plate;e) Centrifugation at 1000 rpm was carried out for 30 seconds;f) The plate was incubated at 23° C. for 20 minutes;g) After 20 minutes of incubation, 5 &#956;L/well of solution C (test reagent solution) was added to columns 1-24 of the experiment plate;h) Centrifugation at 1000 rpm was carried out for 30 seconds;i) The plate was incubated at 23° C. for 40 minutes;j) The experiment plate was placed on EnVision to read the plate.
10581	1	Influenza Antiviral Assay	Human lung carcinoma A549 cells (ATCC, Manassas, Va.) were plated at a density of 5×104 cells/mL (10×103 cells/well) in assay media (Ham&#39;s F12 media supplemented with 0.3% FBS, 1% penicillin/streptomycin, 1% L-Glutamine, and 1% non-essential amino acids (all Mediatech, Manassas, Va.) and 1% DMSO (Sigma-Aldrich, St Louis, Mo.)) in white 96-well plates. Cells were infected with 250 IU/well of Influenza strain A549 A/WSN/33 (H1N1) (Virapur, San Diego Calif.) and incubated for 20 hours at 37° C., 5% CO2. The cell culture supernatant was aspirated off and 50 &#956;L of 25 &#956;M 2&#8242;-(4-Methylumbelliferyl)-a-D-N-acetylneuraminic acid (Sigma-Aldrich) dissolved in 33 mM MES, pH 6.5 (Emerald Biosystems, Bainbridge Island, WA) was added to the cells. After incubation for 45 min at 37° C., reactions were stopped by addition of 150 &#956;L stop solution (100 mM glycine, pH 10.5, 25% ethanol, all Sigma-Aldrich). Fluorescence was measured with excitation and emission filters of 355 and 460 nm, respectively, on a Victor X3 multi-label plate reader (Perkin Elmer, Waltham, Mass.). Cytotoxicity of uninfected parallel cultures was determined by addition of 100 &#956;L of CellTiter-Glo reagent (Promega, Madison, Wis.), and incubation for 10 min at RT. Luminescence was measured on a Victor X3 multi-label plate reader.
10581	2	EN PA FRET Inhibition Assay	EN PA FRET inhibition assay was performed using a 19 nucleotide synthetic oligoribonucleotide substrate: 5&#8242;-FAM-AUUUUGUUUUUAAUAUUUC-BHQ-3&#8242; (Integrated DNA Technologies, Inc., Coralville, Iowa) (SEQ. ID. NO. 1). Upon RNA cleavage, the fluorescent FAM group is released from the BHQ quencher. The PA sequence used to produce active enzyme is derived from any one of multiple influenza A virus strains (e.g., A/goose/Nanchang/3-120/01 (H3N2), A/Victoria/3/1975 (H3N2), A/Brisbane/10/2007 (H3N2), A/WSN/33 (H1N1), A/CA/4/2009 (H1N1), A/CA/5/2009 (H1N1), A/Shanghai/1/2013 (H7N9), A/Guizhou/1/2009 (H5N1)). The full length recombinant protein was expressed from a baculovirus vector in insect cells. Full length EN PA was used in this assay at an effective concentration of 1 to 10 nM, together with 50 nM FRET probe with a final volume of 20 ml cleavage buffer (20 mM Tris Ph8, 100 mM NaCl, 5% Glycerol, 10 mM 3-ME, 0.0003% Tween-20, 5 mM MgC2).Compounds described herein were added to a 384-well black polypropylene plate. Fluorescence was measured in a continuous mode up to 120 minutes with a Wallac 1420 Victor3V multilabel counter (PerkinElmer Life Sciences, Shelton, Conn.) (excitation 485 nm; emission 535 nm).
10582	1	HPK1-SLP76 TR-FRET ASSAY	HPK1-Catalytic domain enzyme is preincubated for 30 minutes with varying concentrations of investigational test compounds, or DMSO reference. HPK1 activity is initiated by the addition of ATP and results in phosphorylation of a His-tagged SLP-76 protein substrate. Following a 60-minute reaction time, the reaction is quenched and FRET partners Eu-anti-His Ab and phospho-SLP-76 (Ser376) (D7S1K) XP Rabbit mAb (AF 647 Conjugate) are added to detect the phosphorylated His-tagged SLP-76 product.
10583	1	HPK1-SLP76 TR-FRET ASSAY	 Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column 22, to yield 10 concentration dose responses for each test compound. Columns 1, 2, 23 and 24 contain either only DMSO or a pharmacological known control inhibitor. Once titrations are made, 7.5 nL of the compounds on 384 well plates are transferred by acoustic dispersion into a 384-well assay plate (Corning 3820) to assay the HPK1 enzyme.The HPK1 kinase biochemical assay was developed using commercially available HTRF reagents. The assay contains the following reagents: 1) Assay Buffer: 50 mM HEPES (pH 7.5), 10 mM MgCl2,1mMEGTA,0.01%Brij-35,0.05 % BSA and 0.5 mM TCEP; 2) Enzyme Solution: HPK1 (Carna); 3) Substrate Solution: ATP and Full Length SLP76 with His-Tag; 4) Stop and Detection Solution: EDTA, LANCE Eu-W1024 Anti-6xHis Ab (Perkin Elmer) and Phospho-SLP-76 (Ser376) (D7S1K) XP Rabbit mAb (AF 647 Conjugate) (Cell Signaling Technologies). Enzyme, Substrate and Stop/Detection solutions are prepared in assay buffer. Enzyme solution (75pM HPK1 Final), 5&#956;L/well, is added to 384-well assay plate and incubated with 7.5nL of compound or DMSO for 30 minutes. Kinase reaction is initiated with addition of 2.5 &#956;L of substrate solution (ATP 10uM and SLP7610 nM Final) and allowed to proceed for 60 minutes. Enzyme addition and compound pre-incubation are initiated by the addition of 5 &#956;L of HPK1 enzyme solution (at one and a half times its final concentration of 75pM) to all wells using a BioRaptr. Plates are incubated at room temperature for 30 minutes. Reactions are initiated by addition of 2.5 &#956;L of 3x substrate solution (10 nM SLP76 and 10 uM ATP FInal) using BioRaptr. Plates are incubated at room temperature for one hour. Reactions are quenched, and activity detected by addition of 2.5 &#956;L of 4x stop and detection solution (10 mM EDTA, 0.75 nM LANCE Eu-W1024 Anti-6xHis Ab and 0.75 nM Phospho-SLP-76 (Ser376) (D7S1K) XP Rabbit mAb (AF 647 Conjugate) Final) to all wells using the BioRaptr. Following a one-hour incubation, the HTRF signal is measured on the Envision plate reader set for 320nm excitation and dual emission detection at 615nM (Eu) and 665nM (AF647). 
10584	1	RET Enzyme Assay	Compounds of formulas I, la to lx, Ila to IIx, and/or Illa to IIIx are screened for their ability to inhibit wildtype, V804M, and G810S mutant RET kinase using CisBio s HTRF KinEASE -TK assay technology. N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (1.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (1.25 nM enzyme; Catalog No. 14-760) or N-Terminal GST-tagged recombinant human G810S (aa-658-end) (1.25 nM Enzyme; produced in insect cells) is incubated with 62.5 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound (0.4% final DMSO in the assay) in a IX Cisbuio enzymatic buffer consisting of 1 nM DTT, 5 mM MgCh, 0.04% BSA and 0.05% Tween20 in a volume of 10 pL. Compounds are typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 40-60 min (40 min for V804M, 60 min for WT and G810S) incubation at 22 °C, the reaction is quenched by adding quench solution (10 pL) containing 7.8 nM Streptavidine-XL665 and 0.5X TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 60-80 min incubation (60 minutes for WT, 80 minutes for V804M and G810S) at 22 °C, the extent of reaction is determined using a PHERastar plate reader via HTRF detection at excitation/emission 337/665 nm. Percent of inhibition is calculated with 0% inhibition referring to control conditions containing no compound (0.4% DMSO only) and 100% inhibition represented by conditions containing no enzyme. The % inhibition values are fit to a 4 parameter logistic curve, and the determined IC5o value is defined as the estimated concentration of inhibitor at the inflexion point of the fitted curve.
10585	1	Exon20-mutant-EGFR(D770_N771insSVD) kinase assay	 Inhibitory activity of compounds of the present invention against an Epidermal Growth Factor Receptor (EGFR) with an insertion of the amino acids sequence SVD between D770and N771 was quantified employing the TR-FRET based kinase activity assay as described in the following paragraphs.A recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and a fragment of human EGFR variant (amino acids R669 to A1210 with insertion of the amino acids sequence SVD between D770 and N771 ( EGFR ins SVD ), expressed in Sf9 insect cells and purified via affinity chromatography using Glutathion Sepharose as described above, was used as a kinase. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-AEEEEYFELVAKKK (C-terminus in amide form) was used which can be purchased e.g. form the company Biosynthan GmbH (Berlin-Buch, Germany).For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 µl of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22°C to allow pre binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 µL of a solution of adenosine tri phosphate (ATP, 3.33 mM => final conc. in the 5 µL assay volume is 2 mM) and substrate (1.67 µM => final conc. in the 5 µL assay volume is 1 µM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22°C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 15 pg/µl. The reaction was stopped by the addition of 3 µl of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66 Tb cryptate PT66 Eu Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated 1 h at 22°C to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Tb-Cryptate. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the PT66-Tb-Cryptate to the streptavidine-XL665. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 337 nm were measured in a HTRF reader, e.g. a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and at 622 nm was taken as the measure for the amount of phosphorylated substrate. The data were normalised (enzyme reaction without inhibitor = 0% inhibition, all other assay components but no enzyme = 100% inhibition). Usually the test compounds were tested on the same microtiterplate in 11 different concentrations in the range of 20 µM to 0.07 nM (20 µM, 5.7 µM, 1.6 µM, 0.47 µM, 0.13 µM, 38 nM, 11 nM, 3.1 nM, 0.9 nM, 0.25 nM and 0.07 nM, the dilution series prepared separately before the assay on the level of the 100fold concentrated solutions in DMSO by serial dilutions, exact concentrations may vary depending pipettors used) in duplicate values for each concentration and IC50 values were calculated using Genedata Screener software.
10586	1	EVALUATION OF THE INHIBITION OF PAFR ACTIVATION	USING AN ENDPOINT ASSAY HEK293 cells overexpressing human PAFR (produced in-house) are seeded into a Poly-D-Lysine coated 384 well white cell culture microtiter assay plate with lid (15.000 cells per well). Subsequently, the plates are incubated over night at 37 °C/5% CO2. On the next day, cells are being washed and subsequently, various concentrations of the test compounds (compounds in 100% DMSO; final concentratrion of DMSO in wells is 1%) are added to the assay plate via Echo 555 acoustic liquid handler. Plates are then incubated with lid for 90 minutes at 37 °C/5% CO2. Thereafter, PAF ligand (Cayman Chemical Company, Item no.: 60900) is added at a final concentration of 11 nM. Plates are then incubated with lid for 60 minutes at 37 °C/5% CO2. Then, 5 µl per well of Anti-IP1-Antibody-Cryptate solution and 5 µL per well of IP1-d2 solution are added to all wells of the plate and the plate is incubated for another 60 minutes light protected at room temperature. The emissions at 620 nm and 665 nm (Excitation wavelength: 320 nm) are measured using an Envision Reader (PerkinElmer).
10587	1	Fluorescence Polarization (FP) VHL Binding Assay	The binding of test compounds to the VHL Elongin B/C complex was measured using a fluorescence polarization tracer competition assay. The VHL / Elongin B/C protein complex used in the assay was generated as follows. The coding region for amino acids E55-D213 of human VHL with N-terminal His6 tag with a TEV -protease cleavage site was co-expressed with Elongin B (residues M1-Q118) and Elongin C (ResiduesM17-C112) in E. coli. The VHL / Elongin B/C complex was purified using an affinity nickel column, anion exchange HiTrap QP HP column chromatography, and gel filtration using a Superdex 7526/60 column. The purified VHL I Elongin B/C complex was dialyzed into formulation buffer: 20mM Bis-Tris pH7.0, 150mM NaCl, ImM DTT. A VHL fluorescence polarization probe consisted of a VHL ligand coupled to carboxytetramethylrhodamine (TAMRA); (2S,4R)-N-(2-(2-(3&#39;,6&#39;-bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-l,9&#39;-xanthene]-5-carboxamido)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxy-l-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide. Compounds were prepared as a serial dilution in DMSO at a concentration 25-fold higher than the final desired concentration and acoustically dispensed (400 nl) into a ProxiPlate-384 Plus F, Black 384-shallow well Microplate (Part Number 6008260). DMSO was dispensed into wells designated for &#147;VHL control&#148; (without compound) wells. The &#147;Assay Buffer&#148; consisted of 50 mM Tris pH 8.0, 120 mM NaCl, 0.005% Nonidet P-40, and 1% DMSO (v/v). Assay Buffer containing 5.28 pM VHL Elongin B/C complex was prepared and 5 l dispensed using a BioRapTR (Beckman Coulter) into each well of the assay plate. Assay Buffer was also dispensed into &#147;no VHL control&#148; wells using the same method. A &#147;pre-assay&#148; fluorescence measurement was made using an Infinite M1000 (Tecan) plate reader (Excitation 530 nm, Emission 574 nm, Bandwidth 10 nm). Assay Buffer containing 3.34 nM of the VHL FP probe was prepared in Assay Buffer and 5pl dispensed into each well of the assay plate using a BioRapTR (Beckman Coulter). The final VHL I Elongin B/C protein concentration is 2.64 nM and the final probe concentration is 1.67 nM. Assay plates were briefly centrifuged and incubated for 1 hour at room temperature. &#147;Post-assay&#148; fluorescence polarization measurements were made as described for the &#147;pre-assay&#148; fluorescence measurement. Fluorescence polarization was calculated for each sample; taking into account the &#147;pre-assay&#148; fluorescence measurements and subtracting the fluorescence signal of the compound/VHL only (&#147;pre-assay&#148;) measurements from the &#147;post-assay&#148; fluorescence polarization measurements, for each plane of polarization. The data were analyzed using Genedata Screener software and normalized to the &#147;no VHL control&#148; and &#147;VHL control&#148; (without compound). IC50 values were calculated using a four parameter curve fit (Robust method).
10587	2	VHL HEK-293 BRET Assay	The VHL NanoBRET Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL NanoBRET tracer reversibly bound to a NanoLuc VHL fusion protein stably expressed in the cells. [0463] Test compounds were transferred to the assay plate (384 Well White NonBinding Corning Assay Plates (Coming- 3574)) using an Echo 555 Liquid Handler (Labcyte) in 2.5 nL increments and, as appropriate, intermediate stock concentrations of compounds, in order to prepare a titration series. 50 nL of control compound (lOmM; parental unlabeled VHL antagonist; see structure below) and 50 nL of DMSO (negative control) were dispensed into the appropriate control wells. DMSO was backfilled to a final volume of 50 nL as required. 50nl per well of 1 mM VHL NanoBRET Tracer in DMSO (NanoBRET Tracer-PEG2-590 (see structure below)) was transferred into each well using an Echo 555 (ultimately yielding a final concentration of luM). HEK 293 RT VHL-NanoLuc stable cells were cultured in DMEM High Glucose with Pyruvate, 10% fetal bovine serum, 2 mg/mL of Geneticin Selective Antibiotic (50 mg/ml) and 2 mM HEPES (1 M). Cells were seeded in Opti-MEM (Life Technologies-11058-021), 1.7 x 105 cells/mL, 40 pl per well into the assay plate, centrifuged at 500 rpm for 30 seconds and incubated for 2 hours. Max Signal control wells consisted of DMSO only treated wells. Minimum Signal control wells contained of 10 uM parental unlabeled VHL antagonist (control compound - see structure below). 3X Complete Substrate plus Inhibitor Solution was prepared in Opti-MEM (consists of a 1:166 dilution of NanoBRET Nano-Gio Substrate plus a 1 : 500 dilution of Extracellular NanoLuc Inhibitor in Opti-MEM), and 20 ul was dispensed into each well of the 384-well plate and centrifuged at 1000 rpm for 1 minute, then incubated for 2 minutes at room temperature. Background Signal control wells were prepared without tracer for background correction steps. [0464] Plates were read using a PerkinElmer Envision Reader (model 2104-0020) equipped with Luminescence option (Mirror: BRET2 Enh (PE Barcode 659), Emission Filter: Omega 610LP (Barcode 504), 2nd Emission Filter: Umbelliferone 460 (Barcode 207), Measurement height: 6.5 mm, Measurement time: Is). The raw BRET ratio values were calculated by dividing the acceptor emission value (610 nm) by the donor emission value (460nm) for each sample. To correct for background, the BRET ratio in the absence of tracer (average of no-tracer control samples) was subtracted from the BRET ratio of each sample. Raw BRET units were converted to milliBRET units (mBU) by multiplying each raw BRET value by 1,000. The normalized NanoBRET signal was calculated relative to the Max Signal control wells (DMSO treated control wells) and the Minimum Signal control wells. Percentage inhibition was calculated relative to the Minimum Signal control and Maximum Signal control wells. IC50 values were derived by four parameter curve fitting using the Robust method.
10588	1	Fluorescence Polarization (FP) VHL Binding Assay	The binding of test compounds to the VHL Elongin B/C complex is measured using a fluorescence polarization tracer competition assay. The VHL / Elongin B/C protein complex used in the assay is generated as follows. The coding region for amino acids E55-D213 of human VHL with N-terminal His6 tag with a TEV protease cleavage site is co-expressed with Elongin B (residues M1-Q118) and Elongin C (ResiduesM17-C112) in E. coli. The VHL / Elongin B/C complex is purified using an affinity nickel column, anion exchange HiTrap QP HP column chromatography, and gel filtration using a Superdex 7526/60 column. The purified VHL / Elongin B/C complex is dialyzed into formulation buffer: 20mM Bis-Tris pH7.0, 150mM NaCl, 1mM DTT. A VHL fluorescence polarization probe consists of a VHL ligand coupled to carboxytetramethylrhodamine (TAMRA); (2S,4R)-N-(2-(2-(3&#39;,6&#39;-bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9&#39;-xanthene]-5-carboxamido)ethoxy)-4-(4-methylthiazol-5-yl)benzyl)-4-hydroxy-1-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide. Compounds are prepared as a serial dilution in DMSO at a concentration 25-fold higher than the final desired concentration and acoustically dispensed (400 nl) into a ProxiPlate-384 Plus F, Black 384-shallow well Microplate (Part Number 6008260). DMSO is dispensed into wells designated for VHL control (without compound) wells. The Assay Buffer consists of 50 mM Tris pH 8.0, 120 mM NaCl, 0.005% Nonidet P-40, and 1% DMSO (v/v). Assay Buffer containing 5.28 &#956;M VHL Elongin B/C complex is prepared and 5&#956;l dispensed using a BioRapTR (Beckman Coulter) into each well of the assay plate. Assay Buffer is also dispensed into no VHL control wells using the same method. A pre-assay fluorescence measurement is made using an Infinite M1000 (Tecan) plate reader (Excitation 530 nm, Emission 574 nm, Bandwidth 10 nm). Assay Buffer containing 3.34 nM of the VHL FP probe is prepared in Assay Buffer and 5&#956;l dispensed into each well of the assay plate using a BioRapTR (Beckman Coulter). The final VHL / Elongin B/C protein concentration is 2.64 nM and the final probe concentration is 1.67 nM. Assay plates are briefly centrifuged and incubated for 1 hour at room temperature. Post-assay fluorescence polarization measurements are made as described for the pre-assay fluorescence measurement. Fluorescence polarization is calculated for each sample; taking into account the pre-assay fluorescence measurements and subtracting the fluorescence signal of the compound/VHL only ( pre-assay ) measurements from the post-assay fluorescence polarization measurements, for each plane of polarization. The data are analyzed using Genedata Screener software and normalized to the no VHL control and VHL control (without compound). IC50 values are calculated using a four parameter curve fit (Robust method).
10588	2	VHL HEK-293 BRET Assay	The VHL NanoBRET Target Engagement Assay analyzes the apparent affinity of test compounds for VHL in cells by competitive displacement of a VHL NanoBRET tracer reversibly bound to a NanoLuc VHL fusion protein stably expressed in the cells.[0488] Test compounds were transferred to the assay plate (384 Well White Non-Binding Corning Assay Plates (Corning-3574)) using an Echo 555 Liquid Handler (Labcyte) in 2.5 nL increments and, as appropriate, intermediate stock concentrations of compounds, in order to prepare a titration series.50 nL of control compound (10mM; parental unlabeled VHL antagonist; see structure below) and 50 nL of DMSO (negative control) were dispensed into the appropriate control wells. DMSO was backfilled to a final volume of 50 nL as required.50nl per well of 1 mM VHL NanoBRET Tracer in DMSO (NanoBRETTM Tracer-PEG2-590 (see structure below)) was transferred into each well using an Echo 555 (ultimately yielding a final concentration of 1uM). HEK 293 RT VHL-NanoLuc stable cells were cultured in DMEM High Glucose with Pyruvate, 10% fetal bovine serum, 2 mg/mL of Geneticin Selective Antibiotic (50 mg/ml) and 2 mM HEPES (1 M). Cells were seeded in Opti-MEM (Life Technologies-11058-021), 1.7 × 105 cells/mL, 40 ^l per well into the assay plate, centrifuged at 500 rpm for 30 seconds and incubated for 2 hours. Max Signal control wells consisted of DMSO only treated wells. Minimum Signal control wells contained of 10 uM parental unlabeled VHL antagonist (control compound see structure below). 3X Complete Substrate plus Inhibitor Solution was prepared in Opti-MEM (consists of a 1:166 dilution of NanoBRET Nano-Glo Substrate plus a 1:500 dilution of Extracellular NanoLuc Inhibitor in Opti-MEM), and 20 ul was dispensed into each well of the 384-well plate and centrifuged at 1000 rpm for 1 minute, then incubated for 2 minutes at room temperature. Background Signal control wells were prepared without tracer for background correction steps.[0489] Plates were read using a PerkinElmer Envision Reader (model 2104-0020) equipped with Luminescence option (Mirror: BRET2 Enh (PE Barcode 659), Emission Filter: Omega 610LP (Barcode 504), 2nd Emission Filter: Umbelliferone 460 (Barcode 207), Measurement height: 6.5 mm, Measurement time: 1s). The raw BRET ratio values were calculated by dividing the acceptor emission value (610 nm) by the donor emission value (460nm) for each sample. To correct for background, the BRET ratio in the absence of tracer (average of no-tracer control samples) was subtracted from the BRET ratio of each sample. Raw BRET units were converted to milliBRET units (mBU) by multiplying each raw BRET value by 1,000. The normalized NanoBRET signal was calculated relative to the Max Signal control wells (DMSO treated control wells) and the Minimum Signal control wells. Percentage inhibition was calculated relative to the Minimum Signal control and Maximum Signal control wells. IC50 values were derived by four parameter curve fitting using the Robust method.
10589	1	Inhibition of auto-phosphorylation of recombinant human NF-kappaB-inducing kinase (NIK/MAP3K14) activity	NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreen (ascreen) format (Perkin Elmer). All compound6 tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. The final DMSO concentration was 0.7% (v/v) in assays. The assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM NasVCO4, 5 mM MgCE, and 0.01 % Tween 20. The assays were carried out in 384 well Proxiplates (Perkin Elmer). The incubations consisted of the compound, 5 pM Adenosine-5&#39;-triphosphate (ATP), and 1 nM NIK/MAP3K14. Incubations were initiated by the addition of GST-tagged NIK/MAP3K14 enzyme, carried out for 2 h at 25 °C and terminated by addition of stop buffer containing anti-phospho-IKK Ser176/180 antibody. Protein A Acceptor and Glutathione-Donor bead6 were added before reading using an EnVision Multilabel Plate Reader (Perkin Elmer). The signal obtained in the wells was normalized using high (full enzyme activity, 0.7% DMSO) and low controls (no enzyme activity, 0.7% DMSO, no ATP). IC50 s were determined by fitting a sigmoidal curve to % inhibition of control versus Log compound concentration.
10590	1	Binding Assay	Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan platform: T7 phage strains displaying BCL2 proteins were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (5,000×g) and filtered (0.2 &#956;m) to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated BIM peptide ligand for 30 minutes at room temperature to generate affinity resins for BCL2 assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions were assembled by combining BCL2 proteins, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with one DMSO control point. All compounds for Kd measurements were distributed by acoustic transfer in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (lx PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 2 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. 
10590	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bcl-2 protein family. This binding can be monitored by HTRF signals between anti-GST-Tb and FAM-peptide using GST-tagged Bcl proteins. Assay conditions: Bcl-2: 4 nM Bcl-2, 100 nM FAM-Bak peptide, Bcl-XL: 3 nM Bcl-XL, 40 nM FAM-Bad peptide in 20 mM K Phosphate, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.005% Triton X-100 and 1% DMSO (final). Assay procedure: Compounds were tested in 10-dose IC50 mode, in singlicate, with 3-fold serial dilution starting at 10 &#956;M or 1 &#956;M. Compound stock solutions were added to protein solution using Acoustic technology. The compounds were then incubated with protein for 10 min at room temperature. The respective FAM labeled peptide was added and incubated for another 10 min and then anti-GST-Tb was added. After 60 min at rt, the HTRF fluorescence signal ratio was measured.
10591	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10591	2	UCHL1 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. UCHL1 was diluted in reaction buffer (20 mM Tris, pH 7.5, 100 mM NaCl, 0.05% Tween 20, 0.5 mg/ml BSA, 5 mM beta mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted UCHL1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 hr incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10592	1	MLL1 WRAD2 Enzyme Assay	Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (aa 3745-3969, GenBank Accession No. NM_005933), WDR5 (aa 22-334, GenBank Accession No. NM_017588), RbBP5 (aa 1-538, GenBank Accession No. NM_005057), Ash2L (aa 2-534, GenBank Accession No. NM_001105214), and DPY-30 (aa 1-99, GenBank Accession No. NM_0325742), all with N-terminal His tag, were expressed in E. coli and mixed at a molar ratio of 1:1:1:1:2. 10 nM of the assembled MLL1-WRAD2 complex was mixed with 100 nM WRAD2 to enhance complex formation before incubation with 0.05 mg/ml nucleosome substrate and exemplary compounds of the application (as 10 point duplicate dose response titrations) for 15 min in a buffer consisting of 50 mM Tris (pH 8.5), 5 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.01% Brij-35, and 1% DMSO. Reaction was initiated with 1 &#956;M 3H-SAM and incubated for 1 hour at 30° C. Reaction mixture was transferred to P81 filter-paper and washed with PBS before detection.
13288	1	In Vitro Inhibitory Activity Test of Acetyl-CoA Carboxylase	The specific steps are as follows:a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290);b. The compound (10 mM stock solution) was diluted 500 times to 20 μM with 100% DMSO, and diluted in a ratio of 1:3 in a 384 dilution plate (3657, corning). The gradient concentrations of the compound were 20, 6.67, 2.22 0.74, 0.25, 0.082, 0.027, 0.009, 0.003, 0.001, 0 μM;c. 0.5 μL/well of the compound solution (prepared in step b) was transferred to the 384-well reaction plate (prepared in step a), then plate was centrifuged at 1000 rpm and incubated at 25° C. for 15 minutes;d. 5 μL/well of substrate mixture solution [ATP (10 mM), Acetyl-CoA (2 mM), NaHCO3 (1000 mM)] was transferred to the 384-well reaction plate, then plate was centrifuged at 1000 rpm and incubated at 25° C. for 30 minutes. The compound final gradient concentrations in the reaction system were 1000, 333.3, 111.1, 37.04, 12.35, 4.12, 1.37, 0.46, 0.15, 0.05, 0 nM. The final concentration of DMSO was 5%; the final concentration of ACC1/ACC2 was 1 nM;e. 10 μL/well of ADP-Glo solution was transferred to the 384-well reaction plate, then the plate was centrifuged at 1000 rpm and incubated at 25° C. for 40 minutes;f. 20 μL/well of kinase detection reagent was transferred to the 384-well reaction plate, then the plate was centrifuged at 1000 rpm and incubated at 25° C. for 40 minutes;g. Relative luminescence unit (RLU) was read on an Envision multifunction plate reader. The signal intensity was used to characterize the activity of ACC1/ACC2 kinase.
13289	1	Kinase Inhibitory Activity	Inhibitory activities of the compound of the present application on three kinases TRKa, TRKA(G595R) and TRKC(G623R) were measured.2. Experimental Materials2.2.1 Reagents and ConsumablesName of reagent Supplier Article number Batch numberTRKa Carna 08-186 13CBS-0565GTRKA (G595R) signalchem N16-12BG-100 H2714-7TRKC(G623R) signalchem N18-12CH-100 D2567-8Kinase substrate 22 GL 112393 P190329-SL112393DMSO Sigma D8418-1L SHBG3288V384-well plate PerkinElmer 6007290 810712(white)2.2.2 InstrumentsCentrifuge (manufacturer: Eppendorf, model number: 5430); microplate reader (manufacturer: Perkin Elmer, model number: Caliper EZ ReaderII); and Echo 550 (manufacturer: Labcyte, model number: Echo 550)3. Experimental Method3.1 A tested compound was accurately weighed and dissolved in 100% DMSO to prepare into a 10 mM solution.3.2 Kinase Reaction Process3.2.1 1×kinase buffer was prepared.3.2.2 Preparation of compounds of gradient concentrations: the tested compound had an initial concentration of 1000 nM, and was diluted into a 100% DMSO solution of 100 times final concentration in the 384-well plate, and then the 100% DMSO solution was diluted by 3 times to obtain DMSO solutions of the compound with 10 concentrations. 250 nL of the compound of 100 times final concentration was transferred to a reaction plate OptiPlate-384F by a dispenser Echo 550.3.2.3 A kinase solution of 2.5 times final concentration was prepared with 1×kinase buffer.3.2.4 10 μL of kinase solution of 2.5 times final concentration was added into a compound well and a positive control well respectively; and 10 μL of 1×kinase buffer was added into a negative control well.3.2.5 The reaction plate was shaken and mixed evenly, and then incubated at room temperature for 10 minutes.3.2.6 Mixed solutions of ATP and kinase substrate 22 of 5 times and 3 times final concentrations were prepared with 1×kinase buffer.3.2.7 15 μL of mixed solution of ATP and substrate of 5 times or 3 times final concentration was added.3.2.8 The 384-well plate was centrifuged at 1,000 rpm for 30 seconds, shaken and mixed evenly, and then incubated at room temperature for corresponding time.3.2.9 The kinase reaction was terminated.3.2.10 A conversion rate was read by the microplate reader Caliper EZ Reader.
10593	1	Metabotropic Glutamate Receptor Activity	For human mGluR4 assays, a fluorescence baseline was established for 3-5 seconds, the disclosed compounds were then added to the cells, and the response in cells was measured. Approximately two and a half minutes later, a concentration of mGluR4 orthosteric agonist (e.g. glutamate, L-AP4, or L-SOP) eliciting approximately 20% (EC20) of the maximal agonist response was added to the cells, and the response was measured. Two minutes later, a concentration of mGluR4 agonist (e.g. glutamate, L-AP4, or L-SOP) eliciting 80% (EC80) of the maximal agonist response was added to the cells, and the response was measured. For rat mGluR4/GIRK experiments, a baseline was established for approximately five seconds, disclosed compounds were added, and either an EC20 or EC80 concentration of agonist was added approximately two and one half minutes later.
10594	1	AlphaLISA	Compounds were diluted by step-down dilution method (final concentration of DMSO was 1%) and added to the wells of a 384 well opti plate at desired concentrations. 5 nM BDR4-BD1 enzyme (produced in-house) and 12 nM of biotinylated substrate were added to the wells, covered and incubated at room temperature (RT) for 1 h. At the end of 1 h 250 ng of GSH acceptor beads were added to the well and incubated for 1 h at RT; then 500 ng of streptavidin donor beads were added and incubated again for 1 h at RT. Plates were read in a Pherastar reader at 680 nm excitation and 570 nm emission. As detailed above, compounds were tested for both BRD4 enzyme inhibitory activities and IC50 were determined.
10595	1	Radiolabel Binding Assay	A stock concentration of 5 nM [3H]LSD (lysergic acid diethyl amide) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 &#956;l of Assay Buffer. Duplicate 50-&#956;l aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.
10596	1	BTK Kinase Lanthascreen Binding Assay	A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent labeled tracer. UP-BTK, consisting of the kinase domain of non-phosphorylated BTK protein (389-659aa), was produced in a Baculovirus/insect cell expression system. Into a 384-well plate, 2 ng of GST-tagged human BTK (389-659aa) was incubated with compound, 50 nM of Tracer 236 and 2 nM anti-GST antibody for 60 minutes using an optimized Lanthascreen assay. After 60 minutes, plates were read at 340 nM and 615/665 nM in an Infinite F500 (Tecan). Data were analyzed using Xlfit version 5.3 from ID Business Solutions (Guildford), Microsoft Excel add-in. pIC50 refers to the negative log of the IC50 in molar
10597	1	In Vitro JAK Kinase Assay	Selective JAK1 inhibitors that can be used in combination with an immunomodulatory agent and steroid for the treatment of hematological diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2, or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.). 
10598	2	Inhibition Activity Assay	The capacities of compounds of the present invention to inhibit the activity of lysine gingipain (Kgp) were measured in a fluorogenic assay similar to those described by Barret (Biochemical Journal. 1980, 187(3), 909) using 10 M Z-His-Glu-Lys-MCA as a fluorogenic substrate at 37 ° C. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 500(the IC50 ) was determined.
10598	1	Inhibition Assay	The capacities of compounds of the present invention to inhibit the activity of cathepsins B, H, K, L, and S were measured in similar assays. Boc-Leu-Arg-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin B assay. L-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin H assay. Z-Phe-Arg-AMC (10 &#956;M) in HEPES buffer (50 mM, pH 7.4) containing DTT (2.5 mM) and EDTA (1 mM) was used for the Cathepsin K assay. Z-Phe-Arg-AMC (20 &#956;M) in sodium acetate buffer (50 mM, pH 5.5) containing DTT (1 mM) and EDTA (2 mM) was used for the Cathepsin L assay. Z-Leu-Arg-AMC (10 &#956;M) in sodium acetate buffer (25 mM, pH 4.5) containing DTT (2.5 mM) and NaCl (50 mM) was used for the Cathepsin S assay. The capacities of the compounds to inhibit the activity of cathepsins F, V, and Z were also measured. The activity of lysine gingipain were measured in a fluorogenic assay. Fluorogenic substrate: 10 &#956;M Z-His-Glu-Lys-MCA. Time=90 minutes. Temperature=37° C. Each compound: 10 concentrations, starting at either 100 &#956;M or 100 nM, with lower concentrations generated by serial 3-fold dilutions. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 50% (the IC50) was determined. 
10599	1	Electrophysiological Assay (In Vitro Assay)	The following patch voltage clamp electrophysiology studies may be performed on representative compounds of the invention using human embryonic kidney cells (HEK), permanently transfected with an expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit, grown in culture media containing 10% FBS, 1% PSG, and 0.5 mg/mL G418 at 37° C. with 5% CO2. HEK cells used for the electrophysiology (EP) recordings have a passage number of less than 40 for all studies and are used within three days from the time of plating. Nav1.1, Nav1.5 and Nav1.6 cDNAs (NM_001165964 (SCN1A), NM_000335 (SCN5A) and NM_014191 (SCN8A), respectively) are stably expressed in HEK-293 cells.
10600	1	Steady-State Fluorescence Assay	Kd values were measured by steady-state fluorescence spectroscopy, by following protein tryptophan fluorescence quenching as a function of ligand concentration, as previously described.
10601	1	Fluorescence Anisotropy Binding Assay	PARP1: Recombinant full length 6HIS tagged PARP1 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 2 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).
10601	2	Fluorescence Anisotropy Binding Assay	PARP2: Recombinant full length PARP2 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 2 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).
10601	3	Fluorescence Anisotropy Binding Assay	PARP3: Recombinant full length PARP3 protein was diluted to 100 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).
10601	4	Fluorescence Anisotropy Binding Assay	PARP5a: Recombinant PARP5a binding domain was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).
10601	5	Fluorescence Anisotropy Binding Assay	PARP6: Recombinant full length GST tagged PARP6 protein was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).
10601	6	hERG Electrophysiological Assay	Electrophysiological recordings (all performed at RT) from stably transfected CHO hKv11.1 cells were obtained using the Nanion Syncropatch 768PE. Test compounds, vehicle or positive controls were added with 6 compound plates each at a different concentration to allow cumulative dosing onto cells (10 mM, 3.167 mM, 1 mM, 0.3167 mM, 0.1 mM, 0.03167 mM). 600 Figure US11325906-20220510-P00001of compound is resuspended into 90 &#956;l of reference buffer (in mM, NaCl 80, KCL 4, CaCl 5, MgCl 1, NMDG Cl 60, D-Glucose monohydrate 5, HEPES 10 (pH7.4 HCL, 298 mOsm) for a final compound concentration of 39.6 &#956;M, 13.2 &#956;M, 4.4 &#956;M, 1.46 &#956;M, 0.48 &#956;M, 0.16 &#956;M. For each Nanion Syncropatch 768PE run, the current amplitude in each cell in the presence of extracellular solution (in mM, NaCl 80, KCL 4, CaCl 5, MgCl 1, NMDG Cl 60, D-Glucose monohydrate 5, HEPES 10 (pH7.4 HCL, 298 mOsm) is measured with all liquid additions performed using the Syncropatch liquid handling system. Add 40 &#956;L external solution (in mM, HBPS, CaCl2 2, MgCl2 1 (pH7.4, NaOH) to 384 well multihole medium resistance recording chip and perfuse internal buffer (in mM, KF 130, KCl 20, MgCl2 1, EGTA 10, HEPES 10, Escin 25 (all Sigma-Aldrich; pH 7.2-7.30 using 10 M KOH, 320 mOsm) to the underside of plate. Dispense 20 &#956;L of cells at a density of 1e6 cells/ml maintained at 9° C. into each well of the chip followed by 20 &#956;L of seal enhancer (in mM, NaCl 80, KCl 3, CaCl 10, HEPES 10, MgCl 1 (pH7.4 NaOH). Perform wash step leaving a residual volume of 40 &#956;L. Dispense 40 &#956;L of reference buffer to establish a stable baseline prior to the addition of test compounds, with a removal step of 40 &#956;L after 3 min, repeat this step. Dispense 40 &#956;L of compound concentration 1 (0.16 &#956;M), real time recordings for 3 min exposure prior to removal of 40 &#956;L. This step is repeated for 5 further subsequent compound plates to generate cumulative curve analysis. All data is leak subtracted, 2 pulses to &#8722;80 mV 100 ms with 100 ms delay. Outward K+ currents are then evoked by voltage step to +60 mV from a holding potential of &#8722;90 mV, Each pulse is delivered at a frequency of 2 Hz with a 15 s pulse interval.
10602	1	In Vitro CaMKII&#948; Activity Assay	The inhibition of CaMKII activity was evaluated using a coupled assay measuring ADP released following ATP hydrolysis and phosphor-transfer to the peptide substrate AC3 (KKALHRQETVDAL; SEQ ID NO: 1) (1). A full length, C-terminal His/Gln tagged CaMKII&#948; construct was used.
10603	1	Protease Fluorescence Assay (FRET)	Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.0100 BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (10000 activity) and no enzyme (000 activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M). 
10604	1	Biochemical Assay	Ubiquitin-Rhodamine 110 Assay for USP28 Activity: Each assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 2 mM BME (2-Mercaptoethanol; Sigma 63689-25ML-F), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). Enzyme (USP28, construct USP28 (USP28-5(1-1077)-TEV-6*His; LifeSensors) concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 400 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 10 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) either simultaneously with 2×Ub-Rh110 or preincubated with USP28 40 minutes prior to the addition of 10 &#956;l of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for 90 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
10604	2	Biochemical Assay	Ubiquitin-Rhodamine 110 Assay for USP25 Activity: The assay was performed in a final volume of 9 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 3 mM BME (2-Mercaptoethanol; Sigma 63689-25ML-F), 0.03% BGG (0.22 &#956;M filtered, Sigma, G7516-25G), and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO was pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 25 &#956;M to 1.3 nM, top to lowest dose, respectively. Enzyme USP25, construct USP25-His6, (Boston Biochem E-546). Concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 75 &#956;M. Final substrate (Ub-Rh110: Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 3 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP25 for 30 minutes and then 3 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated for 45 minutes at room temperature before addition of 3 &#956;L of stop solution (final concentration of 10 mM citric acid (Sigma, 251275-500G)). Fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
10605	1	Inbinition of the Menin-MLL Binding	Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Menin1-615), was diluted with an assay buffer (25 mmol/L HEPES, 150 mmol/L NaCl, 1 mmol/L dithiothreitol, 0.5% (w/v) Tween 80, 0.3% (w/v) BSA, 0.3% (w/v) skim milk) to adjust the final concentration Lo 30 nmol/L. The test compounds were also diluted with the assay buffer to adjust each concentration of the test compounds to 0.005 to 5 &#956;mol/L. The prepared His-Menin1-615 and test compounds were added to a light-shielding 384-well low-volume plate (Corning, #4514) in 2 &#956;L/well and 6 &#956;L/well, respectively, and the plate was covered with a lid for light-shielding (Corning, r-3935), and incubated at room temperature for 3 hours. After the incubation, MLL1-172 wherein FLAG tag is inserted in the C-terminus (MLL1-172-FLAG), was separately diluted with the assay buffer to adjust the final concentration to 50 nmol/L. The prepared MLL1-172-FLAG was added to the above plate in 2 &#956;L/well, and the plate was covered with a lid for light-shielding and incubated at room temperature for an hour.
10606	1	Biochemical Assay	Assay Reaction ConditionsAssay Volume: 70 &#956;lReaction Volume: 50 &#956;lCD73: 0.3208 nMAMP: 15 &#956;MAssay Buffer: 25 mM Tris-HCL, pH 7.4, 0.01% Brij-35, 0.01% BSA, 5 mM MgCl2Assay Procedure:Used 384 clear plate.Made dose titration of testing compounds in assay buffer, 10 points log titrations in duplicates starting at 100 &#956;M.Added 25 &#956;l of CD73 to each well for a final concentration of 320 pM.Incubated at RT for 15 min.Added 25 &#956;l of AMP to each well for a final concentration of 15 &#956;M.Incubated at RT for 10 min.Added 10 &#956;l of Malachite Green Reagent A, incubate at RT for 10 min.Added 10 of Malachite Green Reagent B, incubate at RT for 45 min.Read the Absorbance on Envision plate reader using excitation filter: Cy5 620 nM.The ability of the compounds disclosed herein to inhibit CD73 activity was quantified and the respective IC50 values were determined. 
10607	1	Biochemical Assay	A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).
10608	1	In Vitro Competitive Activity-Based Protein Profiling Assay	Proteomes (mouse brain membrane fraction or cell lysates for mouse assays; human prefrontal cortex or cell membrane fractions for human assays) (50 &#956;L, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP Rh or HT-01 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L 4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.43u software.
10609	1	Fluorogenic Assay	Buffer: pH=7.5, 100 mM Tris-HCl, 75 mM NaCl, 2.5 mM CaCl2, 10 mM cysteine, 1% DMSO after all additions. Protein: 0.1 nM Kgp, isolated from culture of Porphyromonas gingivalis, as described in Pike et al. J. Biol. Chem. 1994, 269(1), 406, and Potempa and Nguyen. Current Protocols in Protein Science. 2007, 21.20.1-21.20.27. Fluorogenic substrate: 10 uM Z-His-Glu-Lys-MCA. Time=90 minutes. Temperature=37° C. Each compound: 10 concentrations, starting at either 100 uM or 100 nM, with lower concentrations generated by serial 3-fold dilutions. By testing a range of concentrations for each compound, the concentration required to inhibit the activity of lysine gingipain by 50% (the IC50 ) was determined. Under the described assay conditions, signal-to-noise was excellent, and Z factor was greater than 0.6.
10610	1	LanthaScreen Terbium Labeled TR-FRET Assay	WEE1: IC50 values of compounds against WEE1 kinase enzyme were determined by LanthaScreen Terbium Labeled TR-FRET assay. Kinase assays were performed in 1X kinase buffer (#PV6135, Invitrogen, Life Technologies Grand Island, N.Y.) where total reaction volume was 10 &#956;L in low-volume 384-well plates (#4511, Corning). Serially diluted compounds (3-fold) were incubated with WEE1 Enzyme (1 nM) (#PR7373A, Invitrogen, Life Technologies, Grand Island, N.Y.) for 10 min; a mixture of ATP (10 &#956;M) (#A1852, Sigma, St. Louis, Mo.) and fluorescent-PolyGT substrate (200 nM) (#PV3610, Invitrogen, Life Technologies Grand Island, N.Y.) was added and incubated in dark at room temperature for 1 h. After 1 h, 10 &#956;L stop solution containing Terbium labeled antibody (4 nM) (#PV3529, Invitrogen, Life Technologies Grand Island, N.Y.) and EDTA (#E5134, Sigma, St. Louis, Mo.) (20 mM) in TR-FRET dilution buffer (#PV3574, Invitrogen, Life Technologies Grand Island, N.Y.) was added. Readings were taken in a Synergy Neo Plate reader (BioTek, Winooski, Vt.) at single excitation of 340 nm and dual emission at 495 nm and 520 nm respectively.
10610	2	HotSpot Kinase Assay	PKMYT1: Inhibition of PKMYT1 kinase activity by test compounds was measured by the HotSpot Kinase Assay at Reaction Biology Corporation (Malvern, Pa.). Briefly, Myelin Basic Protein substrate was prepared in Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). PKMYT1 kinase was delivered into the substrate solution and gently mixed. Test compounds in 100% DMSO were added into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range) and incubated for 20 min at room temperature. 33P-ATP was delivered into the reaction mixture to initiate the reaction. Reactions were carried out at 10 &#956;M ATP. After a 2 hour incubation at room temperature, kinase activity was detected by P81 filter-binding method. Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution. 
10611	1	Kinase Hotspot Assay	Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 &#956;L, kinase (5 mU to 10 mU) was incubated with 25 mM Tris (pH 7.5), 0.02 mM EGTA, 0.66 mg/ml of myelin basic protein, 10 mM magnesium acetate, and [33P-ATP] (specific activity of about 500 CPM/pmol, concentration as required). The reaction was initiated by addition of Mg-ATP mix. After incubation for 40 min at room temperature, the reaction was stopped by addition of 5 &#956;l of a 3% phosphoric acid solution. 10 &#956;L of the reaction was then spotted onto a P30 filtermat and washed three times for 5 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
10612	1	Enzyme Activity In Vitro Assay	I. Experimental Materials and Equipment1. Malachite green phosphate detection kit (R & D Systems, Cat #, DY996)2. Recombinant human 5&#8242;-nucleotidase (CD73) (R & D Systems, Cat #, 5795-EN)3. HEPES buffer (Gibco, Cat #, 15630-080)4. CMP (Sigma, Cat #, C1006)5. DMSO (Fisher Chemical, Cat #, D128-1)6. NaCl 5M (Boston Bioproducts, Cat #, BM-244)7.384-well plate (Fisher, Cat #, 5795-EN)8. TECAN plate reader (TECAN)II. Experimental ProcedureCompounds are first dissolved in DMSO to 10 mM as a stock solution. When determining the IC50 of the compound, prepare 3-fold serial dilutions with a highest concentration of 125 &#956;M for a total of 12 concentration points and ensure each dilution containing equal amount of DMSO. In each well of 384-well plate, 0.34 nM of recombinant human 5&#8242;-nucleotidase (CD73) was pre-incubated at 37° C. for 2 hours with the compounds tested in assay buffer containing 20 mM HEPES buffer (pH 7.4), 137 mM NaCl, 0.001% Tween 20. The final reaction volume of the reaction in each well was 12 &#956;L. The highest concentration of compound was 125 &#956;M and the DMSO concentration was 1.25%. After pre-incubation, 3 &#956;L of CMP dissolved in assay buffer was added to each reaction. The final CMP concentration was 45 &#956;M. The reaction was incubated at 37° C. for 15 minutes. Then 3 &#956;L of Malachite Green Reagent A was added to each reaction. Spin the plate briefly in centrifuge for 30 seconds. After incubation for additional 10 minutes at room temperature, 3 &#956;L of malachite green Reagent B was added to each reaction. Spin the plate briefly in centrifuge for 30 seconds. After 20 minutes of incubation at room temperature, the signal was read on a TECAN reader at OD620.
10613	1	Fluorescence Polarization Binding Assay	Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of TTR. The FP assay was performed in 384-well plate using very low concentration of probe 5 (1.5 nM) and TTR (50 nM) in a 10 &#956;L assay volume. A detergent (0.01% Triton-X100) was added to the assay buffer to avoid any false positive hits from promiscuous, aggregate-based inhibitors. The assay demonstrated robust performance, with a very good dynamic range (70-230 mP) and a Z&#8242; factor in the range of 0.57-0.78 (FIGS. 4A and 4B). Hits were defined as compounds that resulted in at least 50% decrease in fluorescence polarization and demonstrated relative fluorescence between 70 and 130%. Many fluorescence quenchers and enhancers having less than 70% and greater than 130% total fluorescence relative to a control, respectively, were excluded from the hit list. 200 compounds were designated as positive hits (0.167% hit rate). The 200 hits were then evaluated in a dose-response manner and their IC50 (compound concentration that resulted in 50% decrease in the FP signal) values were determined. Among the 200 compounds screened, 33 compounds showed a dose-response effect on the FP and displayed IC50&#8804;10 &#956;M.
10614	1	Radioligand Binding Assay	Binding at dopamine D2-like receptors was determined using previously described methods. Membranes were prepared from HEK293 cells expressing human D2R, D3R or D4R, grown in a 50:50 mix of DMEM and Ham&#39;s F12 culture media, supplemented with 20 mM HEPES, 2 mM L-glutamine, 0.1 mM non-essential amino acids, 1× antibiotic/antimycotic, 10% heat-inactivated fetal bovine serum, and 200 &#956;g/mL hygromycin (Life Technologies, Grand Island, N.Y.) and kept in an incubator at 37° C. and 5% CO2. Upon reaching 80-90% confluence, cells were harvested using pre-mixed Earle&#39;s Balanced Salt Solution (EBSS) with 5 &#956;M EDTA (Life Technologies) and centrifuged at 3000 rpm for 10 min at 21° C. The supernatant was removed and the pellet was resuspended in 10 mL hypotonic lysis buffer (5 mM MgCl2.6H2O, 5 mM Tris, pH 7.4 at 4° C.) and centrifuged at 20,000 rpm for 30 min at 4° C. The pellet was then resuspended in fresh EBSS buffer made from 8.7 g/L Earle&#39;s Balanced Salts without phenol red (US Biological, Salem, Mass.), 2.2 g/L sodium bicarbonate, pH to 7.4. A Bradford protein assay (Bio-Rad, Hercules, Calif.) was used to determine the protein concentration and membranes were diluted to 500 &#956;g/mL and stored in a &#8722;80° C. freezer for later use.
10615	1	Pharmacological Activity Assay	To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reaction buffer (50 mM Tris-HI, pH 7.5; 150 mM NaCl; 0.13% BSA, 5 mM EDTA, 3 mM GSH, 0.005% Brij-35) was added a test compound (in DMSO, in an appropriate final concentration range from 1 nM to 30 &#956;M, volume: 1 &#956;l) in a well of a 384-well microtiter plate. The reaction was started by adding the substrate Z-GlyPro-AMC (final concentration 50 &#956;l; Z=carboxybenzyl; AMC=7-amino-4-methylcoumarin, volume: 25 &#956;l). The progress of the PREP reaction was observed by measuring the fluorescence intensity in a Tecan SAFIRE II plate spectrophotometer at 3200 over a period of 60 min (excitation wavelength: 360 nm, emission wavelength: 465 nm).
10616	1	Biochemical Assay	For example, the biochemical activity IC50 values are determined with respect to inhibition of B-Raf V600E kinase activity or p-Erk kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested are diluted in dimethyl sulfoxide to a concentration of 0.1 mM. These are serially diluted 15 &#956;L into 30 &#956;L of dimethyl sulfoxide seven times in 96 well plates for a total of 8 dilution points, and for each dilution point 1 &#956;L is added to a well of an assay plate. Plates are prepared such that each well in a 384 well plate contains 1 &#956;L of compound in 10 &#956;L volume with 0.1 ng Raf enzyme (i.e. any of B-Raf, c-Raf-1 or B-Raf V600E, Upstate Biotechnology or preparead by methods known to one of skill in the art), 50 mM HEPES, pH 7.0, 50 mM NaCl, 2 mM MgCl2, 1 mM MnCl2, 0.01% Tween-20, 1 mM DTT, and 100 nM biotin-MEK1 as substrate. The reaction is started with addition of 10 &#956;L of 200 &#956;M ATP (i.e. final 100 &#956;M ATP). After incubation of the kinase reaction for 45 minutes at room temperature, 5 &#956;L/well of Stop Solution is added (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA with donor beads (Streptavidin coated beads, Perkin Elmer), acceptor beads (Protein A coated, Perkin Elmer), and anti phosphor MEK1/2 antibody (CellSignal), each at final concentration 10 &#956;g/mL). The plates are incubated for 3 hours at room temperature and read on Envision reader (Perkin Elmer). Phosphorylation of Mek1 results in binding of the anti-phosphor-MEK1/2antibody and association of the donor and acceptor beads such that signal correlates with kinase activity. The signal vs. compound concentration is used to determine the IC50.
10617	1	RTX Competition Binding Assay.	Binding studies with [3H]RTX were carried out as follows. The binding assay mixtures were prepared in 1.5 ml centrifuge tubes and consisted of a fixed concentration (approximately 2 nM) of [3H]RTX (37 Ci/mmol specific activity, PerkinElmer Life Sciences), various concentrations of competing ligands, and 100 g protein of membranes from induced CHO-hTRPV1 expressing cells (approximately 1-3×106 cells) in Dulbecco&#39;s phosphate buffered saline (DPBS, with Ca2+ & Mg2+) for a total volume of 350 &#956;l. The assay mix contained bovine serum albumin at a final concentration of 0.25 mg/ml (Cohn fraction V; Sigma-Aldrich, St. Louis, Mo.). In each set of experiments, nonspecific binding were determined in the presence of 200 nM non-radioactive RTX. The binding reaction was initiated by placing the assay mixture in a 37° C. shaking water bath for 60 minutes (&#8722;30 rpm). The assay mixture was then chilled on ice for 2-3 min before adding 100 &#956;l of &#945;1-acid glycoprotein (2 mg/ml; Sigma-Aldrich) and mixed thoroughly. The tubes were kept on ice for an additional 10 min. The bound and free ligands were then separated by centrifugation (12,200 rpm for 15 minutes) in a Beckman Coulter centrifuge Allegra 21R. 200 &#956;l of supernatant was collected for determination of free ligand. The remainder was removed by aspiration. 
10618	1	In Vitro Kinase Assay	For the Rheb-dependent in vitro kinase assay, HA-GST-Rheb was first loaded with GTP-&#947;-S (Millipore #20-176) by incubating 600 ng/&#956;L Rheb with 10 mM EDTA and 0.4 mM GTP-&#947;-S at 30° C. for 10 minutes. MgCl2 was added to a final concentration of 20 mM to stop the reaction. This mixture was used at 20× in the kinase assay.Loaded HA-GST-Rheb was then incubated with compound (final DMSO concentration 1%) for 30 minutes at room temperature. mTORC1, GFP-4E-BP1 substrate (Life Technologies #PV4759), and kinase assay buffer (HEPES pH 7.4, KCl, MgCl2) were added to the Rheb-compound mixture and incubated at room temperature for 20 minutes. ATP was then added, and the kinase reaction proceeded at 30° C. for 45 min before being stopped by the addition of SDS-PAGE loading buffer for Westerns or 10 mM EDTA for the LanthaScreen readout. During the kinase reaction, the final concentration of reagents is as follows: Rheb 30 ng/&#956;L, compound variable, GTP&#947;S 0.02 mM, EDTA 0.5 mM, MgCl2 1 mM, mTORC1 fixed volume of prep (molarity unknown), GFP-4E-BP1 substrate 15 ng/&#956;L, ATP 0.5 mM. For LanthaScreen analysis (Thermo Fisher #PV4757), the manufacturer&#39;s instructions were followed and conditions were optimized for the amount of Rheb and mTORC1. The final concentration of reagents was as follows: 100 nM loaded HA-GST-Rheb, compound (variable), 0.5 mM EDTA, 10 mM MgCl2, 25 mM HEPES pH 7.4, 50 mM KCl, mTORC1 (fixed volume 0.1 &#956;L in 10 &#956;L total volume), 0.4 &#956;M GFP-4E-BP1 substrate, 0.5 mM ATP. Optimization is summarized in FIG. 1. Results were read on an EnVision reader (PerkinElmer) using 495ex/520em filters (Life Technologies, #PV00315).
10619	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10620	1	Binding Activity Assay	Human 5-HT2A Receptor, Human 5-HT7 Receptor, and Human D2 Receptor: Binding affinity of the present compound for human 5-HT2A receptor, human 5-HT7 receptor, and human D2 receptor was measured by the following procedures.CHO cell membrane fraction in which human 5-HT2A receptor, human 5-HT7 receptor, or human D2 receptor was expressed was purchased from PerkinElmer, Inc. In a test for evaluating binding affinity, a test compound dissolved in dimethylsulfoxide (DMSO) and each receptor membrane sample diluted in buffer were mixed with [3H]Ketanserin, [3H]SB-269970, or [3H]Spiperone (all purchased from PerkinElmer, Inc.) for 5-HT2A receptor, 5-HT7 receptor, or D2 receptor, respectively. Each mixture was incubated at room temperature for 60 minutes. Non specific binding to receptors was obtained from a competitive binding test in the presence of 10 &#956;mol/L 8-OH-DPAT, 10 &#956;mol/L Mianserin, or 10 &#956;mol/L Spiperone, respectively. Radioactivity caused by binding to receptors was measured with a liquid scintillation counter (PerkinElmer, Inc.), and 50% inhibition concentration was calculated.
10620	2	Inhibitory Activity for hERG Channel	Extracellular and intracellular fluids used in the measurement were prepared as follows.Extracellular fluid: 2 mmol/L CaCl2, 1 mmol/L MgCl2, 10 mmol/L HEPES, 4 mmol/L KCl, 145 mmol/L NaCl, 10 mmol/L GlucoseIntracellular fluid: 10 mmol/L HEPES, 10 mmol/L EGTA, 20 mmol/L KCl, 130 mmol/L KFTest compound solution: A test compound was dissolved in DMSO to reach the concentration of 2 mmol/L or 20 mmol/L in order to prepare a test compound solution. The test compound solution was further diluted 200 times with the extracellular fluid, and serial-diluted with the extracellular fluid to prepare a test compound solution in each concentration which is necessary to calculate IC50 value of hERG inhibition.
10621	1	Kinase Assay	Exon 20-Mutant-EGFR(D770_N771insSVD): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine tri phosphate (ATP, 3.33 mM=>final cone, in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final cone, in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 15 pg/&#956;l. The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66 Tb cryptate PT66 Eu Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
10621	2	Kinase Assay	Exon 20-Mutant-EGFR(V769_D770insASV): For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine tri phosphate (ATP, 3.33 mM=>final cone, in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final cone, in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 2.5 pg/&#956;l. The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, an terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66 Tb cryptate PT66 Eu Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
10622	1	Biochemical JAK and Tyk2 Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially or discretely diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
10623	1	Inhibitory Activity Against JAK 3 and BTK Enzymes	Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase assay kit (Promega, V9071) which were purchased from Promega. Recombinant purified human JAK3 and BTK were diluted with 1×kinase reaction buffer (JAK3: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 uM DTT/BTK: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 2 mM MnCl2 and 50 uM DTT) and added to 96 well plates (JAK3: final concentration of 4 ng per reaction/BTK: final concentration of 8 ng per reaction). The compounds prepared in the previous Examples were treated so as to be finally a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (JAK3: final concentration of 5 uM/BTK: final concentration of 10 uM) and 0.2 ug/uL of Poly(Glu4, Tyr1)peptide (JAK3 and BTK final concentration) in the total 25 uL reactants was added to 96-well plates to initiate enzymatic reaction. After incubation (30° C.) for 1 hour, equivalent volume (25 uL per reaction) of ADP Glo was added and incubated (30° C.) for 40 minutes at room temperature. Then, a kinase detection reagent (50 uL per reaction) was added and incubated (30° C.) for 30 minutes at room temperature.
10624	1	Biological Activity 	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMIK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.0100 Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (10000 activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M). Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50.
10625	1	Inhibitory Effect on the Sodium-dependent Glucose Co-Transporter SGLT, SGLT1 and SGLT2	The SGLT-2 assay is carried out as follows: CHO-hSGLT2 cells are cultivated in Ham&#39;s F12 Medium (BioWhittaker) with 10% foetal calf serum and 250 &#956;g/mL zeocin (Invitrogen), and HEK293-hSGLT2 cells are cultivated in DMEM medium with 10% foetal calf serum and 250 &#956;g/mL zeocin (Invitrogen). The cells are detached from the culture flasks by washing twice with PBS and subsequently treating with trypsin/EDTA. After the addition of cell culture medium the cells are centrifuged, resuspended in culture medium and counted in a Casy cell counter. Then 40,000 cells per well are seeded into a white, 96-well plate coated with poly-D-lysine and incubated overnight at 37° C., 5% CO2. The cells are washed twice with 250 &#956;l of assay buffer (Hanks Balanced Salt Solution, 137 mM NaCl, 5.4 mM KCl, 2.8 mM CaCl2, 1.2 mM MgSO4 and 10 mM HEPES (pH 7.4), 50 &#956;g/mL of gentamycin). 250 &#956;l of assay buffer and 5 &#956;l of test compound are then added to each well and the plate is incubated for a further 15 minutes in the incubator. 5 &#956;l of 10% DMSO are used as the negative control. The reaction is started by adding 5 &#956;l of 14 C-AMG (0.05 &#956;Ci) to each well. After 2 hours&#39; incubation at 37° C., 5% CO2, the cells are washed again with 250 &#956;l of PBS (200 C) and then lysed by the addition of 25 &#956;l of 0.1 N NaOH (5 min. at 37° C.). 200 &#956;l of MicroScint20 (Packard) are added to each well and incubation is continued for a further 20 min at 37° C. After this incubation the radioactivity of the 14 C-AMG absorbed is measured in a Topcount (Packard) using a 14 C scintillation program.To determine the selectivity with respect to human SGLT1 an analogous test is set up in which the cDNA for hSGLTI (Genbank Ace. No. NM000343) instead of hSGLT2 cDNA is expressed in CHO-K1 or HEK293 cells.
10626	1	Human Autotaxin Assay	ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released from the substrate, lysophosphatidylcholine (LPC) as it is cleaved to LPA. Conditioned media is collected from confluent Hep3B cells and concentrated 20-fold using Centriprep-30 filter devices (Millipore). To assay for autotaxin inhibition, 10-20 &#956;L of the concentrated conditioned media is incubated with 2.5 &#956;L of a test compound in DMSO and 72.5-82.5 &#956;L lyso-PLD buffer (100 mM Tris pH 9, 500 mM NaCl, 5 mM MgCl2, 5 mM CaCl2, 0.05% Triton X-100 in the presence or absence of 0.2% fatty-acid-free human serum albumin) for 15 min at 37° C. After the 15 min incubation, 5 ul of 2 mM LPC (14:0; Avanti Polar Lipids Cat #855575C) diluted in lyso-PLD buffer is added for a final concentration of 100 uM and the incubation continues for 1.5-3 hours at 37° C. 100 &#956;l of a color mix containing 4.5 mM 4-aminoantipyrine, 2.7 mM N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine, 21 units/ml horseradish peroxidase and 3 units/ml choline oxidase in 50 mM Tris, pH 8, 4.5 mM MgCl2 is added and the incubation continued for 15 minutes at room temperature before reading the absorbance at 555 nm.
10627	1	Binding Assay	Table 1: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan platform: T7 phage strains displaying BCL2 proteins were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (5,000×g) and filtered (0.2 &#956;m) to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated BIM peptide ligand for 30 minutes at room temperature to generate affinity resins for BCL2 assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions were assembled by combining BCL2 proteins, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with one DMSO control point. All compounds for Kd measurements were distributed by acoustic transfer in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (lx PBS, 0.05% Tween 20).
10627	2	Homogeneous Time Resolved Fluorescence (HTRF) Assay	Table 2: Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was also assessed using an HTRF assay. Background: FAM-Bak/Bad binds to surface pocket of the Bcl-2 protein family. This binding can be monitored by HTRF signals between anti-GST-Tb and FAM-peptide using GST-tagged Bcl proteins. Assay conditions: Bcl-2: 4 nM Bcl-2, 100 nM FAM-Bak peptide, Bcl-XL: 3 nM Bcl-XL, 40 nM FAM-Bad peptide in 20 mM K Phosphate, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.005% Triton X-100 and 1% DMSO (final). Assay procedure: Compounds were tested in 10-dose IC50 mode, in singlicate, with 3-fold serial dilution starting at 10 &#956;M or 1 &#956;M. Compound stock solutions were added to protein solution using Acoustic technology. 
10628	1	Kinase Activity Assay	JAK1 (the final concentration was 10 nM); ATP (the final concentration was 10 &#956;M); ULight-labeled JAK-1 (Tyr1023) Peptide (the final concentration was 100 nM); the enzymatic reaction time was 2 hours. The maximum final concentration of compounds was 2.5 &#956;M. After a 3-fold gradient dilution, 11 concentrations were obtained, with the minimum final concentration of 0.042 nM. The final DMSO concentration was 1%.
10628	2	Kinase Activity Assay	JAK2 (the final concentration was 0.25 nM); ATP (the final concentration was 5 &#956;M); ULight-labeled JAK-1 (Tyr1023) Peptide (the final concentration was 50 nM); the enzymatic reaction time was 1 hour. The maximum final concentration of compounds was 2.5 &#956;M. After a 3-fold gradient dilution, 11 concentrations were obtained, with the minimum final concentration of 0.042 nM. The final DMSO concentration was 1%
10628	3	Kinase Activity Assay	JAK3 (the final concentration was 0.36 nM); ATP (the final concentration was 10 &#956;M); ULight-labeled JAK-1 (Tyr1023) Peptide (the final concentration was 50 nM); the enzymatic reaction time was 1 hour. The maximum final concentration of compounds was 2.5 &#956;M. After a 3-fold gradient dilution, 11 concentrations were obtained, with the minimum final concentration of 0.042 nM. The final DMSO concentration was 1%.
10628	4	Kinase Activity Assay	TYK2 (the final concentration was 8 nM); ATP (the final concentration was 20 &#956;M); ULight-labeled JAK-1 (Tyr1023) Peptide (the final concentration was 100 nM); the enzymatic reaction time was 2 hours. The maximum final concentration of compounds was 2.5 &#956;M. After a 3-fold gradient dilution, 11 concentrations were obtained, with the minimum final concentration of 0.042 nM. The final DMSO concentration was 1%.
10629	1	In Vitro Assay	I. Prepare 1× Kinase Base Buffer and Stop Buffer for Testing Kinases1) 1× Kinase base buffer (for TRK-A)50 mM HEPES, pH 7.50.0015% Brij-352) Stop buffer100 mM HEPES, pH 7.50.015% Brij-350.2% Coating Reagent #350 mM EDTAII. Prepare Source Plate with Compound1) Dilute the compound to 50× of the final concentration in reaction by 100% DMSO. Transfer 100 &#956;l of this compound dilution to a well in a 96-well plate. For example, if the desired highest inhibitor concentration is 10 &#956;M, then prepare a 500 &#956;M of compound DMSO solution in this step.2) Perform 3× series dilution of the compound dilution obtained in step 1) with 100% DMSO to provide 9 more diluted solutions of the compound.3) Add 100 &#956;l of 100% DMSO to two empty wells for no compound control and no enzyme control in the same 96-well plate. Mark the plate as source plate.4) Prepare intermediate plateTransfer 10 &#956;l of compound from the source plate to a new 96-well plate as the intermediate plate.Add 90 &#956;l of 1× Kinase base buffer to each well of the intermediate plate.Mix the compounds in intermediate plate for 10 mM on a shaker.5) Prepare assay plateTransfer 5 &#956;l of each well from the 96-well intermediate plate to a 384-well plate in duplicates. For example, A1 of the 96-well plate is transferred to A1 and A2 of the 384-well plate. A2 of the 96-well plate is transferred to A3 and A4 of the 384-well plate, and so on.III. Kinase Reaction1) Prepare 2.5× enzyme solution Add kinase in 1× kinase base buffer.2) Prepare 2.5× peptide solutionAdd FAM-labeled peptide (SEQ ID NO:1) and ATP in the 1× kinase base buffer.3) Transfer 2.5× enzyme solution to the assay plateAssay plate already contains 5 &#956;l of the compound in 100% DMSO.Add 10 &#956;l of 2.5× enzyme solution to each well of the 384-well assay plate.Incubate at room temperature for 10 min4) Transfer 2.5× peptide solution to the assay plateAdd 10 &#956;l of 2.5× peptide solution to each well of the 384-well assay plate.5) Kinase reaction and stopIncubate at 28° C. for a specified period of time.Add 25 &#956;l of Stop buffer to stop reaction.IV. Caliper ReadingCollect data on Caliper.V. Curve Fitting
10630	1	Fluorescence Based Assay	ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (Pantoliano, M. W., Petrella, E. C., Kwasnoski, J. D., Lobanov, V. S., Myslik, J., Graf, E., Carver, T., Asel, E., Springer, B. A., Lane, P., and Salemme, F. R. (2001) High-density miniaturized thermal shift assays as a general strategy for drug discovery. J Biomol Screen 6, 429-40, and Matulis, D., Kranz, J. K., Salemme, F. R., and Todd, M. J. (2005) Thermodynamic stability of carbonic anhydrase: measurements of binding affinity and stoichiometry using ThermoFluor. Biochemistry 44, 5258-66). This approach is applicable to a wide variety of systems, and rigorous in theoretical interpretation through quantitation of equilibrium binding constants (KD).
10631	1	ADP-Glo Assay	Table 3: The ability of test compounds to inhibit ASK1 kinase activity was determined using the luminescent ADP-Glo Kinase Assay and Myelin Basic Protein (MBP) as a substrate (Promega Corporation, Madison, Wis.). During the kinase reaction, ASK1 utilizes ATP and generates ADP. The remaining ATP is then depleted by addition of the ADP-Glo reagent which also terminates the reaction. Subsequent addition of the Kinase Detection Reagent converts the ADP that was produced during the kinase reaction to ATP, and this newly synthesized ATP is converted to light using the luciferase/luciferin reactions. The assay was performed according to the manufacturer&#39;s instructions. Briefly, purified, recombinant ASK1 (amino acids 649-946) (10-20 ng/well) was added to a 384-well, F bottom, small volume, HIbase, white plate (Greiner Bio-One, Monroe, N.C. #784075) containing 1-2 &#956;L 5× test compound or vehicle control (diluted 1:20 from a 100% DMSO stock solution into 1× Reaction Buffer A). The enzyme was allowed to pre-incubate with test compound from 15-120 min at 30° C. before the addition of the ATP/substrate mix (final concentrations of 50 &#956;M ATP+250 ng MBP in 1× Reaction Buffer A). The mixture was then incubated at room temperature for 40 min before the addition of of ADP-Glo reagent and a second 40 minute room temperature incubation. Following the addition of the Kinase Detection Reagent, the plate was incubated for an additional 40 min at room temperature before reading luminescence on a FlexStation 3 (Molecular Devices, Sunnyvale, Calif.). 
10631	2	Amine Oxidase Activity Assay	Table 4: LOXL2 amine oxidase activity was evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;L Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/ml Horseradish Peroxidase) were added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
10632	1	In Vitro Evaluation of the Inhibitory Activity Against ROCK Protein Kinase	Assay buffer solution: 20 mM 4-hydroxyethylpiperazine ethanesulfonic acid (pH 7.5), 10 mM magnesium chloride, 1 mM ethylene glycol-bis-(2-aminoethyl)tetraacetic acid, 0.02% polyethylene glycol monododecyl ether, 0.02 mg/mL bovine serum albumin, 0.1 mM sodium vanadate, 2 mM dithiothreitol, 1% DMSO.Experimental Operation:The freshly prepared buffer solution was added to ROCK protein kinase substrate (Long S6 Kinase substrate peptide), at a concentration of 20 &#956;M, then 1 nM ROCK protein kinase was added thereto and stirred evenly. Echo550 was used to add a series of DMSO dilutions containing the test compound (starting from 10 &#956;M, serially diluted by 3 times), the solution was pre-incubated at room temperature for 20 minutes, then 33P-ATP (radiation intensity 10 &#956;Ci/&#956;L) was added to initiate the reaction, and the reaction was performed at room temperature for two hours. Then the solution was filtered by P81 ion exchange paper (Whatman #3698-915) and washed with 0.75% phosphoric acid. The radiation intensity was determined by Filter-Binding method.
10633	1	Enzyme Activity Assay	Method: the test compound was dissolved in 10 mM mother liquor with DMSO, and stored at &#8722;80° C. until use. The frozen mother liquor was diluted with DMSO to 2 mM as the initial reaction concentration, and then diluted with DMSO in 4-fold gradient to 9 concentrations as the working solution, 1 &#956;l/well; the preparation of 2× buffer: 200 mM tris-HCl, 400 mM NaCl, 0.04% TWEEN20, pH 7.4; 2 human FXIa protein (hFXIa), the reaction solution was prepared by diluting the FXIa protein (Cat #ab62411) with 2× buffer to the required concentration of the reaction 0.25 ng/&#956;l, 10 &#956;l/well; 2×S-2366 reaction solution was prepared by diluting the S-2366 reaction solution with deionized water to 2 mM, 10 &#956;l/well; the enzyme reaction solution was first added to the 384-well plate, and then the diluted test compound reaction solution was added to the corresponding wells in sequence; the negative control was DMSO solvent; the blank was buffer solution: the plate was centrifuged at 1000 rpm for 1 min at room temperature, and after 30 min of reaction in the dark, S-2366 reaction solution was added to each well; after being shaked and mixed for 30 s, the wells were allowed to react at 37° C.
10634	1	FGFR2 Kinase Assay	Small molecule inhibition of FGFR2 kinase activity was evaluated using a fluorescence-based microfluidic mobility shift assay. FGFR2 catalyzes the production of ADP from ATP during phosphoryl transfer to the substrate peptide, FLPeptide30 (5-FAM-KKKKEEIYFFF CONH2) (Perkin Elmer, 760430). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product were measured and the ratio of these values used to generate % conversion of substrate to product by the LabChip EZ reader (Perkin Elmer). Wild type FGFR2 (Carna Bioscience, 08-134) at 0.06 nM was prepared with 1.5 &#956;M substrate, 10 mM MgCl and 100 &#956;M ATP in a butler containing 50 nM HEPES, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, and 2 mM DTT prior to addition of compounds in DMSO and incubation for 80 minutes at room temperature. The reaction was terminated by addition of 0.5 MEDIA. IC50 values were calculated using the inhibition of conversion ratio using Dotniatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23).
10635	1	Kinase Assay	1x and 2x assay buffer were made at first. BTK kinase was diluted with 1× assay buffer but substrate was diluted with 2× assay buffer. 1 ul of diluted compound was transferred into 384-well assay plate, and then 2.0 ul of enzyme solution was added, and spun at 2000 rpm for 1 min. This mixture was incubated at 24° C. for 30 mins. 2 ul of peptide substrate/ATP mixture was added into the assay plate to start the reaction. The mixture was mixed thoroughly and then the 384-well plate was spun and incubated at 24° C. for 60 mins. 5.0 ul of ADP-Glo Reagent was added to stop the kinase activity and deplete the ATP unconsumed, and the plate was mixed thoroughly and incubated at 24° C. for 40 min. Then, 10.0 ul of Kinase Detection reagent was added, and the plate was centrifuged and then kept at 24° C. for 30 min. The luminescence signal was read on Envision.
10636	1	HTRF KinEASE Assay 	ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue ##6005560). HTRF KinEASE-STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 &#956;M STK3 peptide substrate, and 5 &#956;M of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES Ph 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 &#956;M ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. IC50 was determined by Xlfit 5.3.
10637	1	HTRF Assay	NCI-H358 cells expressing KRAS G12C mutant protein were cultured in RPMI 1640 medium (Gibco) containing 10% fetal bovine serum (Gibco). The NCI-H358 cells in culture medium were seeded in 96-well plates at a concentration of 40,000 cells/well and then put in a 37° C./5% CO2 cell incubator to incubate overnight. In the next day, the culture medium was removed and the compound diluted in assay medium (RPMI 1640, 0.1% FBS) was added in each well. After 2 hours incubation in a 37° C./5% CO2 cell incubator, the assay medium in 96-well plates was removed, then 50 &#956;L of 1× blocking reagent-supplemented lysis buffer (Cisbio) was added and the plates were incubated at 25° C. for 45 min with shaking. 10 &#956;L of cell lysates from the 96-well plates were transferred to a 384-well plate (Greiner) containing 2.5 &#956;L/well HTRF pre-mixed antibodies (Cisbio 64AERPEH). Incubate 4 hours at 25° C. and then read HTRF signals on Tecan Spark multimode microplate reader. The data were analyzed using a 4-parameter logistic model to calculate IC50 values.
10638	1	Biochemical Assay	A hydroxyprostaglandin dehydrogenase inhibition screening biochemical assay can be performed to assess the synthesized inhibitors provided herein. Provided herein is an exemplary biochemical assay for hPGDH inhibitor screening.The in vitro biochemical assay can be performed in white, 384 plates in total 20 &#956;l reaction volume consisting of 10 nM of 15-PGDH/HPGD (R&D System #5660-DH), 15 &#956;M Prostaglandin E2 (Sigma, Cat #P5640-10MG) and 0.25 mM (3-Nicotinamide adenine dinucleotide sodium salt (Sigma, Cat #N0632-5G) made in reaction buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween 20) at 10-point dose response curve for test/tool compounds. Briefly, 5 &#956;l (4×) of compounds solution and 5 &#956;l (final concentration, 10 nM) of enzyme solution is added to white 384 well plates and incubated for 10 mins at 37° C. 5 &#956;l (4×) of Prostaglandin E2 and 5 &#956;l (4×) of &#946;-Nicotinamide adenine dinucleotide sodium salt is added to the wells and incubated for 10 mins at room temperature. Fluorescence is recorded at ex/em=340 nm/485 nm. The percentage (%) inhibition of enzyme activity was determined relative to positive control (1% DMSO) and IC50 was calculated using GraphPad prism software (four parameter-variable slope equation).
13292	1	Enzymatic Assay	Detection of Myt1 kinase activity utilized a recombinant human Myt1 kinase assay measuring the hydrolysis of ATP using a commercially available ADP-Glo Assay (ADP-Glo™ Kinase Assay from Promega, 10 000 assays, #V9102). Briefly, 5 μL recombinant human Myt1 (full length PKMYT1 recombinant human protein expressed in insect cells from Thermo Fisher #A33387; ˜80% purity) was prepared in reaction buffer (70 mM HEPES, 3 mM MgCl2, 3 mM MnCl2, 50 μg/ml PEG 20000, 3 μM Na-orthovanadate, 1.2 mM DTT) and added to 384 well white polystyrene, flat bottom well, non-treated, microplate (Corning #3572). After this, 5 μL of compounds (diluted in reaction buffer to 0.5% DMSO) was added to the microplate and the plate was spun briefly and incubated at 22° C. for 15 minutes. Ultra-Pure Adenosine Triphosphate (ATP) solution (ADP-Glo kit from Promega) was diluted in reaction buffer and 5 μL was added to the microplate, spun down briefly and incubated for 60 minutes at 30° C. The final Myt1 enzyme concentration was 18 nM and the final ATP concentration was 10 μM. After the 60-minute incubation, 15 μL of ADP-Glo reagent was added and the plate was spun briefly and sealed and incubated in the dark for 40 minutes at 22° C. Following this, 30 μL of kinase detection reagent was added per well and the plate was spun briefly, sealed and incubated for 45-60 minutes at 22° C. in the dark. Luminescence was read using the Envision (250 ms integration). The IC50 and the % max inhibition were calculated for each inhibitor compound tested.
10640	1	SARS-CoV-2 Coronavirus 3C Protease FRET Assay	The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) assay. The SARS-CoV-2 3CLpro assay measures the activity of full-length SARS-CoV-2 3CL protease to cleave a synthetic fluorogenic substrate peptide with the following sequence: Dabcyl-KTSAVLQ-SGFRKME-Edans modelled on a consensus peptide (V. Grum-Tokars et al. Evaluating the 3C-like protease activity of SARS-coronavirus: recommendations for standardized assays for drug discovery. Virus Research 133 (2008) 63-73). The fluorescence of the cleaved Edans peptide (excitation 340 nm/emission 490 nm) is measured using a fluorescence intensity protocol on a Flexstation reader (Molecular Devices). The fluorescent signal is reduced in the present of PF-835231, a potent inhibitor of SARS-CoV-2 3CLpro. The assay reaction buffer contained 20 mM Tris-HCl (pH 7.3), 100 nM NaCl, 1 mM EDTA and 25 &#956;M peptide substrate. Enzyme reactions were initiated with the addition of 15 nM SARS-CoV-2 3CL protease and allowed to proceed for 60 minutes at 23° C. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity) and a control compound (100% inhibition/0% activity). IC50 values were generated using a four-parameter fit model using ABASE software (IDBS). Ki values were fit to the Morrison equation with the enzyme concentration parameter fixed to 15 nM, the Km parameter fixed to 14 &#956;M and the substrate concentration parameter fixed to 25 &#956;M using ABASE software (IDBS).
10641	1	Omnia Assay	Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and appropriate Tyr-Sox conjugated peptide substrates (KCZ1001) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB002A) and 0.2 mM DTT (DS001A). 5 &#956;L of each enzyme were pre-incubated in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, N.Y.) for 30 min. at 27° C. with a 0.5 &#956;L volume of 50% DMSO and serially diluted compounds prepared in 50% DMSO. Kinase reactions were started with the addition of 45 &#956;L of the ATP/Tyr-Sox peptide substrate mix and monitored every 30-90 seconds for 60 minutes at &#955;ex360/&#955;em485 in a Synergy4 plate reader from BioTek (Winooski, Vt.). At the conclusion of each assay, progress curves from each well were examined for linear reaction kinetics and fit statistics (R2, 95% confidence interval, absolute sum of squares). Initial velocity (0 minutes to 30 minutes) from each reaction was determined from the slope of a plot of relative fluorescence units vs time (minutes) and then plotted against inhibitor concentration to estimate IC50 from log[Inhibitor] vs Response, Variable Slope model in GraphPad Prism from GraphPad Software (San Diego, Calif.).
10642	1	CDK4 Inhibition Assay	Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM. 45 &#956;L of compound solution was transfer into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 12-point dilution. The same volume of DMSO was adopted as high control (HC). 20 nL of compound solution in DMSO (diluted) were dispensed into anew 384-well assay plate by Echo 550. CDK4 protein (0.48 nM, CARNA BIOSCIENCE, cat #04-105), florescent labeled substrate FLPeptide34 (2 M, PerkinElmer, cat #760643) was prepared in kinase assay buffer (100 mM HEPES (pH 7.5), 10 mM MgCl2, 0.05% Brij-35, 0.5 mM DTT and 0.1 mg/ml BSA). 15 &#956;L of kinase assay buffer containing CDK4 protein and substrate was transferred to assay plate and incubate at rt for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control (LC) to monitor the background. 400 M ATP was prepared in kinase assay buffer containing and 15 &#956;L of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 &#956;L of 0.5 M EDTA.
10642	2	CDK6 Inhibition Assay	Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were respectively dissolved in DMSO at 10 mM. 45 &#956;L of compound solution was transfer into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 12-point dilution. The same volume of DMSO was adopted as high control (HC). 20 nL compound solution in DMSO (diluted) were dispensed into a new 384-well assay plate by Echo 550. CDK6 protein (8.81 nM, CARNA BIOSCIENCE, cat #04-107), florescent labeled substrate FLPeptide34 (2 &#956;M, PerkinElmer, cat #760643) was prepared in kinase assay buffer (100 mM HEPES (pH 7.5), 10 mM MgCl2, 0.05% Brij-35, 0.5 mM DTT and 0.1 mg/ml BSA). 15 &#956;L of kinase assay buffer containing CDK6 protein and substrate was transferred to assay plate and incubate at rt for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control (LC) to monitor the background. 400 M ATP was prepared in kinase assay buffer containing and 15 &#956;L of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 &#956;L of 0.5 M EDTA.
10642	3	CDK2 Inhibition Assay	Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM. 45 &#956;L of the test compound solution was transferred into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 12-point dilutions. The same volume of DMSO was adopted as high control. 20 nL of the test compound solution in DMSO were dispensed into a new 384-well assay plate by Echo 550. CDK2 protein (2.19 nM, CARNA BIOSCIENCE, cat #04-103), florescent labeled substrate FLPeptide18 (2 &#956;M, PerkinElmer, cat #760362) was prepared in kinase assay buffer (100 mM HEPES (pH 7.5), 10 mM MgCl2, 0.05% Brij-35, 0.5 mM DTT and 0.1 mg/ml BSA). 15 &#956;L of kinase assay buffer containing CDK2 protein and substrate was transferred to assay plate and incubate at RT for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control to monitor the background. 400 M ATP was prepared in kinase assay buffer containing and 5 &#956;L of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 &#956;L of 0.5 M EDTA.
10642	4	CDK5 Inhibition Assay	Test compounds (compound of the present invention, reference compound Abemaciclib, and comparative example compounds) were dissolved in DMSO at 10 mM. 45 &#956;L of the test compound solution was transferred into a 384-well compound source plate (LABCYTE cat #P-05525) and serially diluted at 1:3 ratio to create a 12-point dilutions. The same volume of DMSO was adopted as high control. 20 nL of the test compound solution in DMSO were dispensed into a new 384-well assay plate by Echo 550. CDK5 protein (0.08 nM, CARNA BIOSCIENCE, cat #04-106), florescent labeled substrate FLPeptide29 (2 &#956;M, PerkinElmer, cat #760429) was prepared in kinase assay buffer (100 mM HEPES (pH 7.5), 10 mM MgCl2, 0.05% Brij-35, 0.5 mM DTT and 0.1 mg/ml BSA). 15 &#956;L of kinase assay buffer containing CDK5 protein and substrate was transferred to assay plate and incubate at RT for 30 minutes. Kinase assay buffer supplemented with substrate peptides was employed as low control to monitor the background. 40 M ATP was prepared in kinase assay buffer containing and 5 &#956;L of ATP solution was added to each well to start the reaction. The assay plate was incubated at 25° C. for 90 minutes and the reaction was stopped by adding 40 &#956;L of 0.5 M EDTA.
10643	1	TR-FRET Assay for LSD1	LSD1 enzyme was produced in house. Tranylcypromine (TCP), LSD1 inhibitor was procured from Selleckchem. LSD1 enzyme, TCP and Biotinylated peptide substrate were diluted in assay buffer just before use. 2× inhibitor (10 &#956;l, diluted in assay buffer) or Assay Buffer, and 5 nMenzyme were added to a 96 well plate and incubated at room temperature for 30 min. 5 &#956;L of biotinylated Histone H3K4me1 peptide (4×) was added to each well and incubated at room temperature (RT) for 1 hour. Stop Solution containing 300 &#956;M tranylcypromine in 1× LANCE Detection Buffer was added to the wells and incubated for 5 min at RT. Then, Detection mix containing 2 nM Eu-Ab and 50 nM ULight-Streptavidin in 1× LANCE Detection Buffer was prepared and added to the reaction mix. This mixture was incubated for 1 hour at room temperature. Readings were taken with the Pherastar Reader in TR-FRET mode (excitation at 337 nm & emission at A-665 nm, B-620 nM).
10643	2	Histone Deacetylase Assay 	Histone deacetylase assay was done as per manufacturer&#39;s instructions. Briefly, assay buffer, 200 uM HDAC substrate (fluorogenic HDAC acetylated peptide substrate for class I HDACs (HDACs 1, 2, and 3) and class 2b HDACs (HDACs 6 and 10) and 1% BSA are taken as a master mix and aliquoted as 40 ul per well. Compounds (10×) were diluted in assay buffer and were added to respective wells of a black 96 well plate. HDAC6 human recombinant enzyme was thawed on ice and 5 &#956;l (7 ng/ul) enzyme was added per well. The plate was incubated at 37° C. for 1 hour. Developer solution was then added (50 &#956;l per well) and incubated at room temperature for 10 minutes. Fluorescence was measured at an excitation wave length of 350-380 nm and emission wavelength of 440-480 nm.
10644	1	HIV Protease Enzyme Inhibition (PI) Activity Assay	Inhibitor potency against HIV protease was measured using an enzymatic assay with a fluorogenic readout. To a reaction buffer containing 100 mM ammonium acetate at pH 5.3, 100 mM NaCl, 1 mM EDTA, 1 mM DTT, 0.25 mg/mL BSA and 1% DMSO were added 10 nM of recombinant HIV protease (concentration based on protein monomer) and test compound at one of various concentrations. After a 10-minute pre-incubation, the enzymatic reaction was initiated by the addition of the fluorogenic substrate (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg (Bachem) (SEQ ID NO: 1) to a final concentration of 40 &#956;M. The total volume of the assay solution was 100 &#956;L. The reaction was measured over 10 minutes on a Tecan Infinite M1000 plate reader using an excitation wavelength of 320 nm and a detection wavelength of 420 nm. The slopes of the progress curves were the measure of reaction rates. Reaction rates were plotted as a function of inhibitor concentration, and the data were fit with a four-parameter logistic fit using Graphpad PRISM software to yield IC50 values. 
10645	1	Human ATX Enzyme Inhibition Assay	Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer;MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer.Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
10646	1	Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10647	1	PI3K-&#947; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software. 
10647	2	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent of the solvent control activity versus the log of the inhibitor concentration using the GraphPad Prism 6.0 software.
10648	1	DiscoverX&#39;s KINOMEscan Technology Assay	1. Preparation of magnetic beads: biotin-labeled small molecule ligand and avidin-coated magnetic beads were allowed to interact at room temperature for 30 minutes, and then added with excess biotin, followed by washing with a blocking solution (1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand.2. Binding reaction: in a 384 plate, 0.02 mL system, DNA-labeled protein, small molecule ligand-bound magnetic beads, and different concentrations of compound to be tested were mixed in a reaction solution (0.17×PBS, 0.05% Tween 20, 6 mM DTT) at room temperature with shaking for 1 hr, to which was added an eluant (1×PBS, 0.05% Tween 20) for elution. Magnetic beads were resuspended by an eluant (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotin-labeled small molecule ligand), and shaken at room temperature for 30 min before separating out the eluant.3. Determination of Kd value: the content of protein in the above eluate was determined by qPCR. Eleven 3-fold dilution concentrations were determined for the compound to be tested, with 3 DMSO controls for each concentration, and the Kd value was obtained by curve fitting.
10649	1	Inhibitory Activity Assay	Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide substrate. In one assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 500 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 10 min at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader. In another assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 5 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 18 h at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader.
10650	1	Biological Assay	Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, anti-HIS detection antibody, a labeled small molecule probe (Kd=<100 nM; koff=<0.001 s&#8722;1) and test compounds in assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij35, 4 mM DTT, and 0.05 mg/ml BSA). The reaction is incubated for 1 hour at room temperature and the HTRF signal was measured on an Envision plate reader (Ex: 340 nm; Em: 520 nm/495 nm). Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay are 1 nM HIS-TGF-&#946;R1 T204D or HIS-TGF-&#946;R2 WT, 0.2 nM anti-HIS detection antibody, labeled small molecule prode (at Kd) and 0.5% DMSO. Dose response curves were generated to determine the concentration required inhibiting 50% of kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. 
10651	1	RET and KDR Enzyme Assay	Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1× CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer was used for the KDR biochemical assay with the addition of 2 mM MnCl2.Inhibitors were pre-incubated in the plate for 15 mins with 5 &#956;L kinase and assay buffer at the following concentrations; 13 pM RET (Carna Biosciences; 08-159) and 150 pM KDR (Millipore; 14-630). The reaction was initiated by the addition of 5 &#956;L ATP and substrate at 2× final reaction concentrations. For RET, this was 18 &#956;M and 2 &#956;M; for KDR, this was 16 &#956;M and 1 &#956;M, respectively. Reactions were performed at ATP Km for each target. The assay was allowed to proceed at room temperature for 20 mins before terminating with the addition of 10 &#956;L HTRF detection buffer containing EDTA supplemented with TK-antibody labelled with Eu3+-Cryptate (1:100 dilution) and streptavidin-XL665 (128 nM). Following incubation at room temperature for 1 hour, FRET signal was measured using the Pherastar FS Microplate Reader.
10652	1	Biological Activity	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M). Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50. 
10653	1	Inhibitory Activities Assay	CYP26 inhibitory activities of various compounds.
10654	1	Human LOXL2 Amine Oxidase Activity Assay	LOXL2 amine oxidase activity is evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media is incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;l of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;l of Amplex Red Mix (8.5 &#956;l Assay Buffer+0.5 &#956;l of 10 mM Amplex Red+1 &#956;l of 500 U/ml Horseradish Peroxidase) are added and the plate mixed and immediately placed on the FlexStaion for fluorescence measurements. Fluorescence is read in kinetic mode every 2 min for 1 hour at excitation=544 and emission=590. The amine oxidase activity is calculated from the slope of the linear portion of the curve
10655	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Table 2: Equal volumes of His-tagged CRBN-DDB1 complex (56 nM) was mixed with Eu-cryptate labeled Anti-6HIS-monoclonal antibody (50× dilution from the commercial stock solution, Vender: Cisbio, Cat. #61HI2KLA) in a final buffer containing 20 mM HEPES pH 7.0, 150 mM NaCl, 0.005% Tween-20. The solution was then mixed with Cy5-labeled thalidomide (final 8 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration 200 uM). The mixture were incubated at room temperature for 1 hour. FRET signals were measured on an EnVision plate reader (Perkin Elmer) by exciting at 340 nm and recording emission at both 615 nm as no FRET control and 665 nm as the FRET signals with a 60 microsecond delay. FRET efficiency was calculated as the ratio of fluorescent signals at 665 nM/615 nM. Quantitative loss of FRET efficiency as a function of compound concentrations was fitted by a four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
10655	2	Fluorescence Polarization (FP) Assay	Table 3: Untagged CRBN-DDB1 complex (final 50 nM) was mixed with Cy5-labeled thalidomide (final 20 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration of 200 uM). The final solution contained 50 mM HEPES, 200 mM NaCl and 2 mM DTT, pH 7.5. The mixtures were incubated at room temperature for 10 min. The FP signals were recorded on an EnVision plate reader (Perkin Elmer) using the following settings: Excitation Light (%): 100; Measurement Height: 12; G-Factor: 1; Detector Gain 1: 500; Detector Gain 2: 500; Flash Number: 100. Dose-dependent loss of FP signals was fitted by four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
10656	1	Fluorescence Assay (FRET)	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate.
10657	1	Scintillation Proximity Assay (SPA)	To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each well contains a mix of 5 &#956;L of test compound, 5 &#956;L NR1s1s2 (ligand binding domains of the NMDA receptor, MW 35.6 kDa, 0.075 ug/well final), 5 &#956;L [3H]-MDL-105,519 (radiolabelled, high affinity N-methyl-D-aspartate (NMDA) glutamate receptor antagonist at the glycine site obtained fromSigma Aldrich, final concentration 5 nM, Kd=1.3 nM), 5 &#956;L streptavidin coated imaging beads (Perkin Elmer cat. No.: RPNQ0273, 8 ug/well). The assay buffer contains 100 mM HEPES-NaOH, 150 mM NaCl, 1 mM EDTA, 10% glycerol at pH 7.4 in ultra-pure water. Non-specific binding is defined by inclusion of 10 &#956;M L-689,560 (highly potent NMDA antagonist) and total binding by 1% DMSO. Following 30 minutes incubation in the dark (shaker, Multi-microplate Genie), the SPA beads are allowed to settle for 3 h after which the signal is read on a Viewlux instrument (Perkin Elmer). Normalized data are used to calculate IC50 and Ki values.
10658	1	Retinoid Activity Assays	This retinoid activity assay measures the ability of test compounds to induce expression of a transiently transfected RA sensitive reporter construct. In this assay, MCF-7 cells are transfected with a construct comprising an upstream promoter of the CYP26A1 gene containing 2 RA response elements driving expression of firefly luciferase (pCYP26A1-luc). Since CYP26A1 is highly inducible by RA in these cells, this construct serves as a sensitive reporter of retinoid-like transcriptional activity.MCF-7 cells were maintained in RPMI-1640 medium containing 10% FBS. Exponentially growing cells were harvested by incubation in trypsin. Cells were then collected and plated in 24-well plates at 50,000 cells/well. Once cells reached 80-90% confluence (e.g., the next day), cells were transfected with two plasmids. The first plasmid was CYP26A1-luc construct (375 ng). The second plasmid was a control plasmid comprising the Renilla luciferase gene driven by constitutive thymidine kinase promoter (pRL-tk) (25 ng). Transfection was performed using FuGene 6 transfection reagent (Promega) with a 1:3 ratio of DNA:FuGene. 24 hours after transfection, cells were treated with test compounds diluted in DMSO in triplicate at 0.1, 1 and 10 &#956;M final concentrations. As a positive control for reporter activation, cells were also treated with RA diluted in DMSO at the same concentrations listed above. DMSO treatment alone served as a negative control. After 24 hours of treatment, cells were harvested in passive lysis buffer (Promega) and luciferase activity in cell lysates were read using a luminometer. Data are expressed as the activity of firefly luciferase relative to Renilla luciferase (see Table 3). For CYP26A1 inhibitor compounds, no activation of the reporter was detected, while the related retinoid-like compound induces luciferase expression.
10659	1	Automated Whole-Cell Patch Clamp Assay	Cell Culture and PreparationFisher rat thyroid (FRT) cells stably expressing human TMEM16A (TMEM16Aabc variant; Dr Luis Galietta, Insituto Giannina, Italy) were cultured in T-75 flasks in Hams F-12 media with Coon&#39;s modification (Sigma) supplemented with 10% (v/v) foetal bovine serum, penicillin-streptomycin (10,000 U/mL/10000 pg/mL), G-418 (750 pg/mL), L-glutamine (2 mM) and sodium bicarbonate solution (7.5% v/v). At &#8722;90% confluence cells were harvested for experiments by detachment with a 2:1 (v/v) mixture of Detachin (BMS Biotechnology) and 0.25% (w/v) trypsin-EDTA. Cells were diluted to a density of 3.5-4.5×106 cells/mL with media consisting of CHO-S-SFM (Sigma), 25 mM HEPES (Sigma) and Soy bean trypsin inhibitor (Sigma).Whole-Cell Patch Clamp RecordingFRT-TMEM16A cells were whole-cell patch clamped using an automated planar patch clamp system (Qpatch, Sophion). Briefly, once high resistance (GOhm) seals were established between the cells and the planar recording array the patch was ruptured using suction pulses to establish the whole-cell recording configuration of the patch clamp technique. The assay employed the following solutions (all reagents Sigma): Intracellular solution (mM): N-methyl-D-glucamine 130, CaCh 18.2, MgCh 1. HEPES 10, EGTA 10, BAPTA 20, Mg-ATP 2, pH 7.25, 325 mOsm with sucrose.Extracellular solution (mM): N-methyl-D-glucamine 130, CaCl2 2, MgCh 1, HEPES 10, pH 7.3, 320 mOsm with sucrose.The intracellular solution buffers intracellular calcium at levels required to give &#8722;20% activation of the maximal TMEM16A mediated current (EC20 for calcium ions). Cells were voltage clamped at a holding potential of &#8722;70 mV and a combined voltage step (to +70 mV)/ramp (&#8722;90 my to +90 mV) was applied at 0.05 Hz. After a period of current stabilisation test compounds, solubilised in 100% (v/v) DMSO and subsequently diluted into extracellular solution, were applied to generate a cumulative concentration response curve. Each concentration of test compound was incubated for 5 minutes before addition of the next concentration. After the final concentration was tested a supramaximal concentration of either a known active positive modulator or the TMEM16A inhibitor. CaCCinhAOI (Del La Fuente et al, 2008) was added to define the upper and lower limits of the assay.Compound activity was quantified by measuring the increase in current upon compound addition and expressing this as a percentage increase of baseline TMEM16A current level. Percentage increases in current were determined for each concentration and the data plotted as a function of concentration using either the Qpatch software or Graphpad Prism v6.05 providing the concentration which gave 50% of its maximal effect (EC50) and maximum efficacy (percentage of baseline increase).
10660	1	Cell Free Mcl-1: Bim Affinity Assay (Mcl-1 HTRF)	The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinant human Mcl-1 (C-terminally 6×His tagged Mcl-1 containing residues 171-327) was generated at Amgen Inc (Thousand Oaks, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (San Jose, Calif.). The TR-FRET assay was conducted in a 384-well white OptiPlate (PerkinElmer, Waltham, Mass.) in a total volume of 40 &#956;L. The reaction mixture contained 0.1 nM Mcl-1(171-327), 0.05 nM biotin-Bim(51-76), 0.05 nM LANCER Eu-W1024 Anti-6×His (PerkinElmer), 0.072 nM Streptavidin-Xlent (Cisbio, Bedford, Mass.), and serially diluted test compounds in the binding buffer of 20 mM Hepes, pH 7.5, 150 mM NaCl, 0.016 mM Brij 35, and 1 mM dithiothreitol. Test compounds were pre-incubated with Mcl-1(171-327) and biotin-Bim (51-76) for 60 min before addition of the detection mixture (LANCE Eu-W1024 Anti-6×His and Streptavidin-Xlent). The reaction plates were further incubated overnight and then were read on an Envision multimode reader (PerkinElmer). Fluorescence signals were measured at 620 nm (40-nm bandwidth) and 665 nm (7.5-nm bandwidth) with a 60 &#956;s delay after excitation at 320 nm (75-nm bandwidth). The signal ratio at 665/620 nm corresponded to the Mcl-1/Bim interaction and was used in all data analyses. The IC50 values of test compounds were determined from duplicate data by analyzing competition curves using a four-parameter sigmoidal model in GraphPad Prism (GraphPad Software, San Diego, Calif.) or in Genedata Screener (Genedata, Basel, Switzerland).
10661	1	FluxOR potassium ion channel assay	Cell preparation: CHO-KCNQ2 cells were cultured in a 175 cm2 culture flask, and when the cells was grown to a density of 60-80%, the culture medium was removed, washed with 7 mL PBS (Phosphate Buffered Saline) once, then 3 mL 0.25% Trypsin was added to digest. After the digestion was completed, 7 mL culture medium (90% DMEM/F12+10% FBS+500 &#956;g/mL G418) was added to neutralize, centrifugated for 3 minutes at 800 rpm. The supernatant was aspirated, then 5 mL culture medium was added to resuspend, and then the cells were counted.Cell plating: The density to 3×104/well was adjusted according to the results of cell counting. After standing at room temperature for 30 minutes, the cells were placed in a 37° C. CO2 incubator and incubated overnight for 16-18 hours. The cell density reached about 80%.Fluorescent dye incubation: The cell culture medium was discarded, 80 &#956;L/well loading buffer was added, and the cells were incubated in dark at room temperature for 60 minutes.Compound incubation: the loading buffer was discarded, 80 &#956;L/well prepared compound solution was added, incubated at room temperature and in dark for 20 minutes.Fluorescence data collection: FDSS/&#956;CELL instrument for real-time fluorescence is used for signal recording, wherein excitation wavelength was 480 nm, emission wavelength was 540 nm, and signals were recorded 1 times per second, after baseline was recorded for 10 seconds, the addition of 20 &#956;L/well stimulation buffer was started, and then the signal was continuously record until the end of 180 seconds.
10662	1	LPAR1 Calcium Flux Assays	A cDNA encoding the human LPAR1 receptor is synthesized and cloned into pDNA3 expression plasmid. The plasmid is transfected in U937 cells using Lipofectamine 2000 (Invitrogen Corp., USA). Clones stably expressing human LPAR1 are selected using puromycin and identified as cells that show Ca-influx in response to LPA.U937 cells overexpressing human LPAR1 are seeded at 100,000 cells per well in a 96-well fibronectin (10 ug/ml) coated plate in 60 &#956;l of assay buffer (HBSS containing 20 mM HEPES and 0.2% BSA) and then incubated for 60 minutes. Then 50 &#956;l of a calcium indicator dye (Fluo-4 NW, Molecular Probes) are added to each well and incubation continued for 30 minutes at 37° C. and then 30 minutes at room temperature. 50 &#956;l of test compounds in 4% DMSO are added to the cells and incubation continued at room temperature for 40 minutes. Cells are the stimulated by the addition of 50 &#956;l of 128 nM LPA and intracellular calcium is measured using the FLIPR TETRA (Molecular Devices). IC50 values are determined using Genedata Screener analysis tool.
10662	2	LPAR3 Calcium Flux Assays	A cDNA encoding the human LPAR3 receptor is synthesized and cloned into pDNA3 expression plasmid. The plasmid is transfected in U2OS cells using Lipofectamine 2000 (Invitrogen Corp., USA). Clones stably expressing human LPAR3 are selected using neomycin and identified as cells that show Ca-influx in response to LPA.U2OS cells overexpressing human LPAR3 are seeded at 20,000-40,000 cells per well in a 96-well poly-D-lysine coated plate one day before the assay. Prior to the assay, the cells are washed once with assay buffer (HBSS containing 20 mM HEPES and 0.2% BSA) and then incubated in 50 &#956;l of assay buffer for 60 minutes. Then 50 &#956;l of a calcium indicator dye (Fluo-4 NW, Molecular Probes) are added to each well and incubation is continued for 30 minutes at 37° C. and then 30 minutes at room temperature. 50 &#956;l of test compounds in 4% DMSO are added to the cells and incubation continued at room temperature for 40 minutes. Cells are stimulated by the addition of 50 &#956;l of 128 nM LPA and intracellular calcium is measured using the FLIPR TETRA (Molecular Devices). IC50 values are determined using Genedata Screener analysis tool.
10662	3	LPAR1 Membrane Binding Assay	The ability of a compound to inhibit binding of a ligand (1-(4&#8242;-(4-(((benzyloxy)carbonyl)amino)-3-methylisoxazol-5-yl)-[1,1&#8242;-biphenyl]-4-yl)cyclopropane-1-carboxylic acid) to LPAR1 is assessed via a membrane binding assay. Membrane containing LPAR1 was purchased from Cerep (Cat. No. 290312RB). Prior to the assay, membrane is thawed and homogenized for 15 seconds. 50 &#956;l of test compounds and 50 &#956;l of radio labeled ligand are added to the 96-well plates and then 50 of &#956;l membrane (50-400 ug/ml) are added. Next, 50 &#956;l of SPA PVT WGA beads are added (1-5 mg/ml) and the plates are sealed and incubated at room temperate for 5 minutes. Radio activity is measured by Beta Counter and IC50 values are determined using Genedata Screener analysis tool.
10663	1	In Vitro Bromodomain Inhibition Assay	To measure activity of bromodomain inhibitors, a His-epitope tagged BRD4 BD149-170 is purchased from BPS Bioscience. BRD4 binding and inhibition is assessed by monitoring the engagement of biotinylated H4-tetraacetyl peptide (H4K5/8/12/16; AnaSpec #64989-025) with the target using the AlphaLSA technology (Perkin-Elmer). Specifically, in a 384 well OptiPlate, BRD4(BD1) (200 nM final) is pre-incubated with either DMSO (final 1.0% DMSO) or a compound dilution series in DMSO. All reagents are diluted in assay buffer containing 50 mM HEPES (pH 7.4), 100 mM NaCl, 0.1% (w/v) BSA, and 0.05% (w/v) CHAPS. After a 30 minute incubation at rt, H4 peptide is added (200 nM final) and the reaction is incubated an additional 30 minutes at rt. Alpha streptavidin donor beads and AlphaLSA nickel chelate acceptor beads are then added to a final concentration of 10 &#956;g/mL each. After one hour, equilibration plates are read on an Envision instrument and IC50s calculated using a four parameter non-linear curve fit.
10664	1	Cell Viability Assay and IC50 Estimation	Cell viability was determined using the Cell Titer Glo assay (Promega) as previously described. Briefly, 2000-3000 cells per well were plated in 384-well plates (Greiner Bio-One) in technical triplicate. Cells were treated with seven different concentrations of tyrosine kinase inhibitors or vehicle alone at a final volume of 40 &#956;L per well. After 3 days hours, 11 &#956;L of Cell Titer Glo was added to each well. Plates were shaken for 15 minutes, and bioluminescence was determined using a FLUOstar OPTIMA multi-mode micro-plate reader (BMG LABTECH). Bioluminescence values were normalized to DMSO treated cells, and normalized values were plotted in GraphPad Prism using non-linear regression fit to normalized data with a variable slope. IC50 values were calculated by GraphPad Prism at 50% inhibition.
10666	1	Inhibition Test for Each Compound of the Present Invention Against 20-HETE Producing Enzymes (CYP4F2 and CYP4A11)	In the CYP4F2 inhibition test, the reaction solution containing each compound [final concentration of 50 mM, KPO4 (pH 7.4), 2.5 &#956;M luciferine derivative, and 1 mM NADPH] was added to an Escherichia coli membrane fraction (100 &#956;g/mL protein) in which human CYP4F2 had been expressed. In the CYP4A11 inhibition test, the reaction solution containing each compound [final concentration of 100 mM, Tris-HCl (pH 7.5), 60 &#956;M luciferine derivative, 1.3 mM NADP+, 3.3 mM Glucose 6-Phosphate, 3.3 mM MgCl2, and 0.4 U/mL Glucose 6-Phosphate dehydrogenase] was added to an Escherichia coli membrane fraction (100 &#956;g/mL protein) in which human CYP4A11 had been expressed. Following this, the membrane fraction was left to stand at room temperature for 60 minutes to perform an enzymatic reaction. After the reaction, a luciferine detection reagent was added, and the luminescence value was measured using a plate reader. By using that value, the percent inhibition of 20-HETE producing enzyme (%) was calculated according to the equation described below, and the 50% inhibitory concentration (IC50 value) for each compound was calculated. 
10667	1	Kinase Assay	The inhibitory activity of some compounds of the present disclosure against FGFR1, FGFR2, FGFR3, FGFR4, KDR was tested by mobility shift assay (concentration of ATP is Km value).Test method:Reagent: basic kinase buffer: 50 mM HEPES (pH 7.5); 0.0015% Brij-35Stop buffer: 100 mM HEPES (pH 7.5); 0.015% Brij-35; 0.2% Coating Reagent #3; 50 mM EDTAPreparing of compounds: dilute test compounds to specific concentration using 100% DMSOReaction process: 1) preparing of 2.5× enzyme solution adding kinase to 1× basic kinase buffer 2) preparing of 2.5× peptide solution adding FAM-labeled peptide and ATP to 1× basic kinase buffer 3) preparing of analysis board transferring 10 &#956;L of test compound to 384-well plate, adding 904, of 1× basic kinase buffer 4) adding 104, of 2.5× enzyme solution to each well of the assay plate and incubating for 10 min at room temperature 5) adding 104, of 2.5× enzyme solution to each well of the assay plate and incubating for specific time at 28° C. 6) stop the reaction by adding 254, of stop solution to each well 7) reading data with Caliper and calculating IC50 value.
10668	1	TBD	TBD
10669	1	PDE4 Assay	The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference compound.Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggered time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.Results were expressed as IC50 values (nM) calculated from inhibition curves where the TR-FRET signal was normalized to Tb fluorescence intensity and the negative (DMSO vehicle) and positive (10 microM a PDE4 inhibitor reference compound) controls.
10669	2	TNF-alpha RELEASE	Human peripheral blood mononuclear cells (PBMC) were isolated from fresh buffy coats by density centrifugation using lymphoprep tubes (Medinor). Frozen PBMC&#39;s were washed in serum free assay buffer (RPMI1640 with 25 mM HEPES, 1% pen/strep, 200 mM L glutamine, 0.5% human serum albumin) and living cells counted. Lipopolysaccharide (1 microg/ml; SIGMA) was added to the cells which were then transferred to 384 well tissue culture plates (5×105 c/ml) containing titrated test compounds. The cells were incubated for 18 hours at 37° C. in serum free assay buffer and the level of TNFalpha in the supernatant was quantitated by AlphaLISA (PerkinElmer) by measuring fluorescence intensity at 615 nm.Results were expressed as IC50 values calculated from inhibition curves using as controls the secretion in LPS stimulated wells and the secretion in cells incubated with 10 microM of a PDE4 inhibitor reference compound.
10670	1	PRMT5 Inhibition Based on TR-FRET Assay	Protein arginine methyltransferase 5 (PRMT5) is a type II arginine methyltransferase that catalyze mono- and symmetric demethylation on arginine residues of histone or non-histone proteins in presence of S-adenosylmethionine (AdoMet or SAM) a cofactor responsible for donating the methyl group. PRMT5 is reported to be overexpressed in several human cancers. To identify compounds that inhibit the PRMT5 and decrease its activity, a TR-FRET based assay has been established. Time-resolved fluorescence resonance energy transfer (TR-FRET) HTS assays are homogeneous proximity assays where the interaction of two dye-labeled binding partners is detected by the energy transfer between a donor and an acceptor dye and the subsequent light emission by the acceptor dye. PRMT5 catalyzes Histone H4 peptide [1-16] which is biotin tagged to the Lysine amino acid at carboxyl end, in presence of S-adenosyl-1-methionine (SAM) to methylate the peptide. The antibody specific to mono methylated H4 peptide (H4R3) with Ig conjugate binds to the methylated peptide, indirectly binding to the Europium lanthanide. SureLight Allophycocyanin-Streptavidin binds to the biotin tag of the peptide, therefore accepting the energy transferred from the Europium lanthanide. This energy transfer between Europium to SureLight Allophycocyanin is a direct measure of the activity/inhibition of the PRMT5 enzyme.
10671	1	TBDTR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) Assay	The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.
10672	1	Inbinition of the Menin-MLL Binding	Menin1-615 wherein 6×His tag and HA tag are inserted in the N-terminus, and myc tag is inserted in the C-terminus (hereinafter, referred to as His-Menin1-615), is diluted with an assay buffer (25 mmol/L HEPES, 150 mmol/L NaCl, 1 mmol/L dithiothreitol, 0.5% (w/v) Tween 80, 0.3% (w/v) BSA, 0.3% (w/v) skim milk) to adjust the final concentration to 30 nmol/L. The test compounds are also diluted with the assay buffer to adjust each concentration of the test compounds to 0.005 to 5 &#956;mol/L. The prepared His-Menin1-615 and test compounds were added to a light-shielding 384-well low-volume plate (Corning, #4514) in 2 L/well and 6 &#956;L/well, respectively, and the plate was covered with a lid for light-shielding (Corning, #3935), and incubated at room temperature for 3 hours. After the incubation, MLL1-172 wherein FLAG tag is inserted in the C-terminus (MLL1-172-FLAG), was separately diluted with the assay buffer to adjust the final concentration to 50 nmol/L. The prepared MLL1-172-FLAG was added to the above plate in 2 &#956;L/well, and the plate was covered with a lid for light-shielding and incubated at room temperature for an hour.
10673	1	Binding Assay	A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer (SEABLOCK (PIERCE), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SEABLOCK, 0.17× phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% TWEEN 20). The beads were re-suspended in elution buffer (1× phosphate buffered saline, 0.05% TWEEN 20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The VEGFR2 concentration in the eluate was measured using qPCR.
10674	1	Biochemical Assay	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate.A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column1) add 2× rxn buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l.
10675	1	ADP-Glo Kinase Activity Assay	Kinase activity of recombinant active full-length human MEK4 (Carna Biosciences) was measured using the ADP-Glo assay (Promega) with 3 &#956;M recombinant full-length human p38&#945; (MAPK14). The concentration of ATP used for high throughput screening was 3 &#956;M (equal to the ATP KM value for MEK4). For ATP competition studies, the ATP concentration was varied (1, 4, 12, or 45 &#956;M). Standard ADP-Glo assay buffer contained 25 mM Tris-HCl, 5 mM beta-glycerophosphate, 2 mM dithiothreitol (DTT), 0.1 mM Na3VO4, and 10 mM MgCl2 at pH 7.5. Triton X-100 was added at a final concentration of 0.01% (w/v) for the aggregation studies. For MEK family profiling, recombinant active full-length human MEK1, 2, 3, 4, 5, 6, and 7 (Carna Biosciences) were used together with 3 &#956;M recombinant full-length substrates. p38&#945; was used for MEK3, 4, and 6. Jnk1B (MAPK8) was used for MEK4 and 7. Erk2 (MAPK1) was used for MEK1 and 2. Erk5 (MAPK7) was used for MEK5. All reactions included 0.6 &#956;M ATP, a concentration that was at least 2-fold below the empirically determined ATP KM values for all MEKs.
10676	1	Factor D Esterolytic Assay	An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Harper, J. W.; Niemann, M. A.; Volanakis, J. E.; Powers, J. C. Human complement proteins D, C2, and B Active site mapping with peptide thioester substrates. J Biol. Chem. 1987, 262, 3444-3451). For this assay Z-Lys-SBzl, 1.29 mM (Kim, S.; Narayana, S. V. L; Volanakis, J. E. Mutational analysis of the substrate binding site of human complement Factor D. Biochemistry. 1994, 33, 14393-14399.) was used as the substrate for Factor D (104 mM). Hydrolysis of this compound by Factor D liberated a free sulfhydryl group which is then reacted with 5,5&#8242;-dithiobis(2nitrobenzoic acid) producing an intense yellow color (Habeeb, A. F. S. A. Reaction of protein sulfhydryl groups with Ellman&#39;s Reagent. Methods in Enzymol. 1976, 25, 457-464). The assays were performed in 96 well microtiter plates and rates of hydrolysis were monitored at 405 nm on a Biotek Synergy H1 plate reader. Hydrolysis rates were reported as change in mOD/min. The assay was conducted in 100 mM HEPES, 500 mM NaCl, pH 7.5 containing 10% DMSO in a final volume of 50 &#956;L per well.
10677	1	In Vitro Kinase Assay	The inhibition of the FLT3 kinase activity was measured with homogeneous, time-resolved fluorescence (HTRF) assays. Recombinant proteins containing the FLT3 kinase domain were purchased from Invitrogen (Carlsbad, Calif., USA). Optimal enzyme, ATP, and substrate concentrations were established with the HTRF KinEASE kit (Cisbio, France) according to the manufacturer&#39;s instructions. The FLT3 enzymes were mixed with serially diluted compounds and peptide substrates in a kinase reaction buffer (50 mM HEPES (pH 7.0), 500 &#956;M ATP, 0.1 mM sodium orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.01% bovine serum albumin (BSA), and 0.02% NaN3). Ten microliters of the total volume of the kinase reaction were added to the wells of a 96-well assay plate. The kinase reactions were incubated for 30 min at 25° C. For the detection of the phospho-substrate, the Eu3b-Cryptate-conjugated mouse monoclonal antibody (PT66) and the streptavidin-XL665 (SA-XL) were added, and the reactions were then incubated for 1 hour at 25° C. The signal was measured on an Victor X5 multi-label reader (PerkinElmer, Waltham, Mass., USA). The curve was fitted by nonlinear regression, and the IC50 was calculated using GraphPad Prism 5.01 (GraphPad, La Jolla, Calif., USA).
10678	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10679	1	Enzymatic Activity Assay	The inhibition of purified recombinant human GAC by varying concentrations of inhibitors is assessed via a dual-coupled enzymatic assay. The glutamate produced by the glutaminase reaction is used by glutamate oxidase to produce &#945;-ketoglutarate, ammonia, and hydrogen peroxide, with this hydrogen peroxide subsequently being used by horseradish peroxidase to produce resorufin in the presence of Amplex UltraRed. The assay buffer consisted of 50 mM Hepes (pH 7.4), 0.25 mM EDTA and 0.1 mM Triton X-100. GAC was incubated with potassium phosphate (10 minutes at room temperature) prior to incubation with inhibitor (10 minutes at room temperature). The final reaction conditions were as follows: 2 nM GAC, 50 mM potassium phosphate, 100 mU/mL glutamate oxidase (Sigma), 1 mM glutamine (Sigma), 100 mU/mL horseradish peroxidase (Sigma), 75 &#956;M Amplex UltraRed (Life Technologies), and 1% (v/v) DMSO. The production of resorufin was monitored on a Perkin Elmer Envision plate reader (excitation 530 nm, emission 590 nm) either in a kinetics or endpoint mode (at 20 minutes). IC50 values were calculated using a four-parameter logistic curve fit.
10680	1	TBD	TBD
10680	2	TBD	TBD
10681	1	Inhibitory Effect on LRRK2	After the compound was dissolved in 100% DMSO at 10 mM, it was serially diluted to the range of 1 &#956;M to 10 &#956;M using biochemical LRRK2 assay buffer (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) pH 7.5, 10 mM MgCl2, 1 mM EGTA (1,2-bis(o-aminophenoxy)ethane-N,N,N&#8242;,N&#8242;-tetraacetic acid), 2 mM DTT (dithiothreitol), and 0.01% TWEEN-20 (Aldrich)). Purified LRRK2 (CARNA BIOSCIENCES) was added to a black U-bottom 96-well microtiter plate containing 6 &#956;l of the serially diluted compound, followed by incubation at room temperature for 30 minutes. For the kinase reaction, ATP and a substrate solution specific urea-polypeptide (ULIGHT -poly TK, PerkinElimer) were added. The reaction was carried out at room temperature for 1 hour, and it was detected with an detection solution (brand name: LANCE ) containing EDTA. A LANCE detection solution containing europium-labeled antibody (LRRK2 specific PT66) was added, followed by incubation at room temperature for 50 minutes, to terminate the kinase experiment. The phosphorylated substrate was detected by 665 nm emission measurement.
10682	1	Inhibition Assay	Table 5: Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [y-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target peptide(ASELPASQPQPFSAKKK) (SEQ ID NO:1).Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 &#956;L of the stock solution was placed in a 96 well plate followed by addition of 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 &#956;M with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [&#947;-33P]ATP (final concentration 10 &#956;M).
10682	2	ATR-Complex Inhibition Assay	Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [g-33P]ATP (3.5 Ci 33P ATP/nmol ATP, Perkin Elmer, Massachusetts, USA) and 800 &#956;M target peptide (ASELPASQPQPFSAKKK) (SEQ ID NO: 1); Isca Biochemicals, Cambridgeshire, UK). Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S1105). An enzyme stock buffer solution was prepared containing all of the reagents listed above, with the exception of target peptide, ATP and the test compound of interest. This enzyme stock was pre-incubated for 30 minutes at 25° C. 8.5 &#956;L of the enzyme stock solution was placed in a 96-well plate followed by addition of 5 &#956;l of target peptide and 2 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 1.5 &#956;M with 2.5-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25° C. and the reaction initiated by addition of 15 &#956;L [g-33P]ATP (final concentration 10 &#956;M).
10683	1	Inhibitory Activity Assay	Inhibitory Activity of Exemplary Compounds against Plasma Kallikrein. Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide substrate. In one assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 500 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 10 min at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader. In another assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 5 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 18 h at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader.
10684	1	IP-One Assay	In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chinese hamster ovary (CHO) cells expressing human 0X1R and/or the human 0X2R were grown in Iscove s modified DMEM containing glutaMAX , 1% G418, 100 U/mL penicillin, 100 pg/mL streptomycin and 10 % heat-inactivated qualified fetal bovine serum (FBS). The OX2R cells were seeded at 10,000 cells/well/50 &#956;L and the OX1R cells were seeded at 20,000 cells/well/50 &#956;L into 384-well white tissue culture plates (Greiner; cat# 781080). All cell/media reagents were from GIBCO-Invitrogen Corp. The seeded cell plate(s) were incubated at 37°C with 5% CO2 and 85% humidity for 20-24 hours. On the day of the assay, assay-ready compound plates were prepared using an acoustic liquid handler (ECHO; Labcyte), which dispensed sufficient volume of test compound stock (10 mM in DMSO) or 100% DMSO to prepare 10 point, -log dilutions in a final volume of 202.5 nL/well in all test wells of a 384-well diamond plate (Labcyte). Following completion of assay -ready plates, importantly, the next three steps were performed with minimal delay: 1) 20 pl of lx stimulation buffer was added to the compound plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat# 24073290); 2) culture medium was removed from the cell plate using the Bluewasher plate washer (gentle spin; BlueCatBio); 3) 14 p 1 of compound/stimulation buffer mixture was added to the cell plate using a Bravo liquid handler (Agilent) prior to incubating cell plates at 37°C with 5% CO2 and 85% humidity for 1 or 2 hours (OX1R and OX2R, respectively). During this incubation, IP-one detection reagents were prepared (38: 1:1 lysis buffer: D2:AB-cryptate reagents). Six &#956;L of mixed detection reagents were added to the cell plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat #24073290) and incubated 60 minutes at room temperature in the dark. Fluorescence signal was detected using an Envision plate reader (Perkin Elmer) [LANCE/DELFIA Dual Enh (Em: APC 665; Ex: Cy5 620)].For each compound, data were fit to a four parameter logistic fit (Activity Base software) and the EC50 was reported as the inflection point of the resulting curve. Percent effect for each test compound was determined as the percentage of sample raw value/mean max effect, where the mean max effect was derived from the mean raw value of 32 control wells per assay plate (using Orexin A (cat# 003-30) at 1 &#956;M for human OX1R and a reference compound at 1 uM with 100% activity previously established by comparison to Orexin A for human OX2R). The intrinsic orexin receptor agonist activity of a compound which may be used in the present invention may be determined by these assays.
10685	2	GLP-1R ACTIVATION - cAMP Assay 2	GLP-1R activation by small molecule agonists is quantified by measuring cAMP increase in CHO cells stably expressing GLP-1R (MultiSpan product # C1267-1a). 50nL of agonists are pre-spotted in a 10 point dose response onto 384-well plate (Corning product # CL3826) using the Labcyte Echo System. The cells are harvested and plated in assay buffer (HBSS (Corning product # 21-023-CV) with 20mM Hepes (Gibco product # 15630-080) and 0.1% BSA (Rockland Immunochemicals product # BSA-1000)) or 100% Human Plasma (Innovative Research product #50-643-396) at 1,000 cells/well, 10&#956;L/well, onto the pre-spotted plates. The cells are then incubated for 30 minutes at 370C, 5% CO2. cAMP concentration increase is then detected using Cisbio s cAMP Gs Dynamic Kit (product # 62AM4PEC) according to the manufacturer s protocol. The response is plotted against the log of the agonist concentration and fitted to a sigmoidal equation to determine the EC50.
10685	1	GLP-1R ACTIVATION - cAMP Assay 1	GLP-1R activation by a compound of the present disclosure was quantified by measuring cAMP increase in CHO cells stably expressing GLP-1R (MultiSpan product # C1267-1a). The cells were harvested and plated in growth medium (DMEM/F-12 (Corning product # 10-090-CV) supplemented with 10% FBS (HyClone product # SH30071-03), penicillin/streptomycin (Corning product # 30-002CI) and 10&#956;g/ml puromycin (Gibco product # A11138-03)) at 1,000 cells/well in a 384-well plate (Greiner product # 781080). The cells were then incubated overnight at 37 °C, 5% CO2. The next day, the medium was removed and the cells were washed with DPBS (Corning product # 21-031-CM) before adding the assay medium (HBSS, Corning product # 21-023-CV) with 20mM Hepes (Gibco product # 15630-080) and 0.1% BSA (Rockland Immunochemicals product # BSA-1000)). Following the medium change, the cells were incubated for 1 hour at 37 °C, 5% CO2. The tested GLP-1 compound was added to the cells in a 10 point dose response followed by a 30 minutes incubation at 37 °C, 5% CO2. cAMP concentration increase was then detected using Cisbio s cAMP Gs Dynamic Kit (product # 62AM4PEC) according to the manufacturer s protocol. The response was plotted against the log of the agonist concentration and fitted to a sigmoidal equation to determine the EC50.
10686	1	SARS-CoV-2 Mpro enzyme assay	The activity of SARS-Cov-2 Mpro was determined in a Fluorescence Resonance Energy Transfer (FRET)-based enzymatic assay using FRET Substrate Dabcyl-KTSAVLQSGFRKM-E(Edans)-Amide. In brief, 5 pL of test compounds (concentrations ranging from 100 pM to 0.0017 pM) was preincubated with 5 pL of 20 nM (final concentration) Mpro enzyme for 30 min at 30 °C in an assay buffer containing 20 mM HEPES, 120 mM NaCI, 0.4 mM EDTA, and 4 mM DTT and 20% glycerol. Reaction was initiated by addition of 10 pL of 20 pM (final concentration) of FRET substrate (Dabcyl-KTSAVLQSGFRKM-E (Edans)-Amide). The reaction was incubated for 1 h and the resulting fluorescent intensity was measured at Ex=360 nm/Em=490 nm at 30 °C using a SPARK 20M plate reader (Tecan). Boceprevir was used a reference standard compound. pICso and pKi were determined using 4PL GraphPad Prism and data were represented as a mean n=2± SD.
10687	1	ACCase Enzymatic Assay	In order to effectively screen out non-specific modulators of pyruvate kinase and lactate dehydrogenase (the coupled portion of the reaction), a PK/LDH inhibition test was developed. The complete 200 &#956;l reaction mixture contained 52.5 mM HEPES (pH8), 2.625 mM MgCl2, 0.525 mM DTT, 11 mM NaHCO3, 1% DMSO with or without inhibitor, 1× pyruvate kinase/lactate dehydrogenase (PK/LDH), 0.3 mM NADH, and 0.5 mM PEP. The reactions were incubated at 30° C. for 10 minutes and then initiated by the addition of 66 &#956;M ADP. The initiated reactions were read immediately via plate reader at OD340 and kinetic readings were acquired every 20 s for 15 minutes while remaining at 30° C.
10688	1	In Vitro Biochemical Assay	Please see paper.
10689	1	FLIPR Assay	At the assay day cells were washed 3× with assay buffer, 10 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca kit loading buffer (AAT Bioquest) was added to the cells and the plates were incubated with lid for 60 minutes at r.t. 20 &#956;l assay buffer containing 60 &#956;M glycine (20 &#956;M final) and 3 &#956;M glutamate (1 &#956;M final) was added to column 1-23. Fluorescence (indicating the calcium influx as a result of the NR1/NR2B ion channel activation) was read on the FLIPRtetra device for 60 seconds to monitor the glutamate induced effects. After 2 minutes 20 &#956;L of compound or controls (row 1-22) in assay buffer were carefully added to the wells. Fluorescence was read on the FLIPR tetra device for additional 6 minutes to monitor the compound induced effects after activation by agonists. The average of 2 measurements at 5 minutes and 5 mM 10 seconds after compound addition is calculated and further used for IC50 calculations. Each assay microtiter plate contained wells (in column 23 or 24) with DMSO controls instead of compound as controls for glycine/glutamate induced fluorescence (high controls) and wells with 1 &#956;M of a reference NR2b NAM as low controls (Compound 22; reference: Layton, Mark E et al, ACS Chemical Neuroscience 2011, 2(7), 352-362).
10690	1	Enzymatic Assay	Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion protein in E. coli and corresponding to aa 8-360. The substrate used was the fluorescent Omnia peptide S/T17 (Invitrogen of Carlsbad, Calif.; Cat. KNZ1171C). Test compounds were diluted in DMSO in 3-fold serial dilutions at 100× final concentrations. In addition to compound, the assay contained 50 mM HEPES [pH 7.3], 10 mM MgCl2, 2 mM DTT, 0.005% Triton-X100, 5 nM ERK-2 enzyme, 6.25 &#956;M S/T17 peptide substrate and 25 &#956;M ATP (corresponding to the observed Km) for a total reaction volume of 25 &#956;L. The assay was run at ambient temperature in a white 384-well polypropylene plate (Nunc, Inc of Naperville, Ill.; Cat. 267462) collecting data every 50 seconds for approximately 30 minutes on an Envision plate reader (PerkinElmer, Inc. of Waltham, Mass.); Excitation 340 nm/Emission 495 nm. The data collected from each well was fit to a straight line, and the resulting rates were used to calculate percent of control. Percent of control was plotted against compound concentration, and IC50 values were determined using a four-parameter fit. 
10691	1	Inhibition of Histone Deacetylase Enzymatic Activity	The following non-trypsin coupled in-vitro HDAC enzymatic endpoint assay was used to assay the compounds of the invention. Below is a standardized protocol for running HDAC selectivity panel on Caliper LabChip EZ-Reader Instrument.
10692	1	ADP-Glo Assay	A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.
10693	1	Kinase Assay	Small molecule inhibition of the BRA and RAF kinases was measured using ADP-Glo assay. In the assay, ADP is converted to ATP in the presence of test kinase and substrate, resulting in luciferase reaction and luminescent readout with light generated proportional to the relative kinase activity. Compounds diluted in DMSO were used in 10-point, 3-fold dose curve for both assays. Final concentrations of 6 nM BRAF (Carnaflio, Cat. 09-122) or 3 nM RAF1 (CarnaBio, Cat. 09-125) and 30 nM MEK1 substrate (Millipore, Cat. 14-420) were incubated with 3 &#956;M ATP, 10 mM MgCl2, 0.003% Brij-35, 2 mM DTT, 0.0500 BSA, 1 mM EGTA, and 50 mM HEPES for 90 minutes at room temp prior to addition of ADP-Glo reagent (Promega, Cat. V9102) for 40 minutes, and detection reagent for 45 minutes.
10694	1	Biological Assay	The following buffers were used for the Qube recordings: External buffer for Nav1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 Dextrose; External buffer for Qube Nav1.5 recording: 120 N-Methyl-D-Glucamine, 40 NaCl, 1 KCl, 2.7 CaCl2), 5 HEPES, 0.5 MgCl2; and Internal buffer for Qube recording: 120 CsF, 30 CsCl, 10 EGTA, 5 HEPES, 5 NaF, 2 MgCl2.
10695	1	HTRA1 Assay	Serial dilutions (1/3) from 1000 &#956;M down to 0.051 &#956;M of test compounds were prepared in dimethyl sulfoxide (DMSO). Then 2 &#956;L of solution from each dilution were added to 100 &#956;L of 4 nM full-length human His-HTRA1 in assay buffer (50 mM Tris, pH 7.5, 200 mM NaCl and 0.25% 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate or CHAPS) in white non-binding 96-well plates. The assay solutions were mixed for 5 seconds on a shaker plate and incubated for 10 minutes at room temperature. Mca-H2OPT (Mca-Ile-Arg-Arg-Val-Ser-Tyr-Ser-Phe-Lys(Dnp)-Lys-OH trifluoroacetate salt) (Mca=7-methoxycoumarin-4-acetic acid; Dnp=dinitrophenyl) (5 &#956;M) in 100 &#956;L of assay buffer was added to the assay solutions. The reaction mixture was shaken for 5 seconds on a shaker plate and cleavage of Mca-H2OPT was monitored by spectrofluorometry (SpectraMax M3 by Molecular Devices, CA) for 10 minutes (Exk=330 nm; Emk=420 nm). 
10696	1	Fluorescence Anisotropy Assay	The assay was adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity for galectin-3 which made it possible to use a low concentration of galectin-3 (50 nM). 100 nM albumin was included as a carrier to prevent protein loss at such low concentration of galectin.
10697	1	Biochemical Assay	Assay Reaction ConditionsAssay Volume: 70 &#956;lReaction Volume: 50 &#956;lCD73: 0.3208 nMAMP: 15 &#956;MAssay Buffer: 2 5 mM Tris-HCL, pH 7.4, 0.01% Brij-35, 0.01% BSA, 5 mM MgCl2Assay Procedure:Used 384 clear plate.Made dose titration of testing compounds in assay buffer, 10 points log titrations in duplicates starting at 100 &#956;M.Added 25 &#956;l of CD73 to each well for a final concentration of 320 pM.Incubated at RT for 15 min.Added 25 &#956;l of AMP to each well for a final concentration of 15 &#956;M.Incubated at RT for 10 min.Added 10 &#956;l of Malachite Green Reagent A, incubate at RT for 10 min.Added 10 &#956;l of Malachite Green Reagent B, incubate at RT for 45 min.Read the Absorbance on Envision plate reader using excitation filter: Cy5 620 nM.
10698	1	Homogenouse Time-Resolved Fluorescence (HTRF) Binding Assay	Experimental Procedure1. The compound was formulated to 10 concentrations with a three-fold concentration gradient with 100% DMSO.2. The solution of the compound in DMSO was added to Dilute Buffer, and mixed evenly and then transferred to a 96-well plate.3. PD-L1 was diluted with Dilute Buffer and added to the 96-well plate above.4. PD-1 was diluted with Dilute Buffer, then added to the 96-well plate above and incubated at room temperature for 30 minutes.5. One portion of anti-tag1-Eu and one portion of anti-tag2-XL665 were added to Detection Buffer, mixed evenly and transferred to the 96-well plate above.6. The mixed solution in the 96-well plate were incubated at room temperature for 1 to 24 hours.7. HTRF values were read by Envision.
10699	1	In Vitro Inhibitory Activity of the Compounds of the Present Invention on CSF-1R in Terms of Enzymology	Experimental Reagents:Necessary reaction buffer: 20 mM hydroxyethylpiperazine ethanesulfonic acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL bovine serum albumin, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO.The necessary cofactors were added separately to the CSF-1R kinase reaction.Enzyme: the concentration of CSF-1R was 2.5 nMTreatment with the Compounds:The compound to be tested was formulated with 100% DMSO into a solution with a specific concentration, and serial dilution was performed with DMSO through the intelligent pipetting assistant Integra Viaflo Assist.Experimental Procedure:Preparation of fresh necessary reaction buffer;All necessary cofactors were added to the above reaction buffer;CSF-1R kinase was added to the above matrix solution and shaken gently;Using acoustic technology (Echo550; nanoliter range), a solution of the compound in DMSO was added to the above kinase reaction mixture, and the reaction solution was incubated at room temperature for 20 minutes;33P-ATP (specific activity, 10 &#956;Ci/&#956;l) was added to the above kinase reaction mixture to initiate the reaction;The reaction solution was incubated at room temperature for 2 hours;The kinase activity was detected by the filter-binding method;
10700	1	Evaluation of Aurora a and Aurora B Inhibitory Effect Kinase Assay	Experimental Methods:(1) Prepare a 1× kinase buffer [50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), PH 7.5, 0.01% Brij-35, 10 mM MgCl2, 2 mM dithiothreitol (DTT)].(2) Prepare compound:The testing compound was dissolved with DMSO. The testing compound was diluted up to 100× final concentration in a 384-well plate. Transfer 250 nL of the compound dilution to a 384-well assay plate using Echo 550. 100% DMSO of 250 nL was added to the negative control well and the positive control well.(3) Prepare a 2.5× enzyme solution using the above 1× kinase buffer.(4) Add 10 &#956;L of the 2.5× enzyme solution to the compound well and the positive control well of the 384-well assay plate. Add 10 &#956;L of the 1× kinase buffer to the negative control well.(5) The 384-well plate was centrifuged at 1000 rpm for 30 seconds and incubated at room temperature for 10 min.(6) A mixture of ATP and Kinase substrate 21 with a final concentration of 25/15× was prepared by the 1× kinase buffer.(7) Add 15 &#956;L of the mixture of 25/15×ATP and kinase substrate solution 21 to start reaction.(8) The 384-well plate was centrifuged at 1000 rpm for 30 seconds and incubated at room temperature.(9) 30 &#956;L of the stop and detection buffer was added to stop the kinase reaction and centrifuged at 1000 rpm for 30 seconds.(10) Collect data on Caliper EZ ReaderII.Data Analysis:
10701	1	Kinase Assay	JAK2 and JAK2 [V617F] Kinase Assay: In 5× Kinase Buffer A, JAK2 or JAK2 [V617F] kinase was mixed with pre-diluted compounds at different concentrations in duplicate for 10 minutes. The corresponding substrate and ATP were added and reacted at room temperature for 20 minutes (in which negative and positive controls were set: the negative control was a blank control and the positive control was erlotinib). After the reaction was completed, a detection reagent (the reagent in the HTRF Kinase TK kit) was added. After incubation at room temperature for 30 minutes, the enzyme activities in the presence of the compounds disclosed herein at each concentration were measured by an Evnvision microplate reader, and inhibitory activities of compounds at different concentrations on the enzyme activity were calculated. The inhibitory activities of compounds at different concentrations on enzyme activity were then fitted according to the four-parameter equation using Graphpad 5.0 software, and the IC50 values were calculated.
10702	1	CDK2/Cyclin E1 HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilized full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays were conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) was incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions were stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals were read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech).
10703	1	Fluorescence Assay (FRET)	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M). Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50.
10704	1	PDE4 Assay	The human PDE4D catalytic domain (UniProt no. Q08499 [5380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) and fluorescein amidite (FAM) conjugated cAMP and titrated test or reference compound. Following brief incubation the enzymatic reaction was stopped by addition of binding buffer containing nanoparticles with immobilized trivalent metal ions capable of binding 1) AMP phospho groups and 2) terbium (Tb) donor fluorophores. Subsequent excitation of the Tb donor triggers time-resolved FRET to adjacent FAM acceptor molecules resulting in light emission. In the presence of a PDE4 inhibitor, AMP generation was reduced resulting in a lower fluorescence signal. The cAMP phosphodiester is not bound by the detection system.
10705	1	SPR Assay	Surface Plasmon Resonance (SPR) assays have been developed to test the affinity (KD) of VHL or CRBN-based compounds to respective recombinant ligase complex/domain.The assays are based on surface plasmon resonance (SPR), which enables to measure the changes of the local refractive index due to changes of molecular mass on a gold chip surface in the case of a binding event and in a flowing system. To detect binding between both partners, the respective E3 ligase is immobilized to the chip surface, while the test compounds are flown over the chip surface at a steady velocity. The detected changes in the RU response are indicative of the binding event and are concentration dependent.For the SPR experiments, either a commercially available VHL complex (Merck, 23-044; composed of 5 units: VHL, Elongin B, Elongin C, Cul2, and Rbx1) exhibiting a his-tag at the Cul2 subunit or an internally produced biotin-tagged mouse CRBN thalidomide binding domain (mCRBN-TBD) was used. These tags provide the anchor for the capturing process to either an NTA or Streptavidin coated chip surface (immobilization level of 3,000-5,000 RU). Because of the rather complex structure of the VHL complex, it was additionally coupled to the chip surface by amino coupling to prevent any protein loss by disruption of the complex in the flowing system.To detect binding of compounds and extract dissociation constants KD for the tested compounds to the immobilized E3 ligase, concentration response curves of the compounds were recorded. Compounds were usually tested in 10-pt dilutions up to 20 &#956;M final concentration in assay buffer and were flown over the chip at 30 &#956;L/min. The contact time for each cycle includes 90 s for association and 200 s for dissociation of compounds. Every test cycle was read out as a sensorgram that was referenced to the sensor surface that does not present the target protein.
10706	1	IDO Cellular Activity Inhibition Assay	The experimental principle is summarized as follows: IDO expression is low in Hela cells under no induction, but a certain concentration of IFN-&#947; can induces Hela cells to express IDO which catalyzes the conversion of tryptophan to N-formyl kynurenine, which in turn is hydrolyzed by trichloroacetic acid to give kynurenine. Kynurenine then reacts with the Ehrlich reagent to give a color enabling detection of the IDO activity. The absorbance at 490 nm (OD490) is directly proportional to the IDO activity.The test compound was dissolved in DMSO (Sigma, Cat. No. D5879) and diluted to 5 mM, then serially diluted 3-fold with DMSO to a minimum concentration of 2.29 &#956;M, and each concentration point was further diluted 50-fold with FBS-free DMEM medium (ThermoFisher, Cat. No. 11995073). If a compound&#39;s IC50 value was very low, the initial concentration of the compound was lowered.
10707	1	 In-Vitro Human Glycolate Oxidase (hGOX) Assay	The in-vitro glycolate oxidase assay was performed using recombinant full-length human hydroxyacid oxidase 1 (HAO1), the equivalent of hGOX. The enzyme was obtained from AbCam (Catalog #ab113144) and was purified using conventional chromatography to >95% purity. Purified HAO1 was dissolved in assay buffer consisting of 10 mM NaCl, 110 mM KCl, 2 mM MgCl2, 50 mM HEPES (pH 7.4) and 0.01% Triton X-100. The assay used Corning 3575 384-well flat bottom, low flange, non-binding surface, black polystyrene plates.To determine HAO1 inhibition, 2 &#956;L of compound concentrations in 100% DMSO were added to 28 &#956;L of 36 nM HAO1 and incubated at room temperature for 10 min. Subsequently 40 &#956;L of 100 &#956;M Amplex red/0.2 U/mL horseradish peroxidase (HRP) was added followed by 10 &#956;L of 680 &#956;M glycolate (pH 7.4). Thus, final concentrations in the 80 &#956;L reaction well were 12.5 nM HAO1, 50 &#956;M Amplex Red, 0.1 U/mL HRP, and 85 &#956;M glycolate in a final concentration of 2.5% DMSO. The fluorescence signal was measured every 53 seconds using a GENios microplate reader (Tecan) with Ex=530±10 nm and Em=585±10 nm. Linear data were plotted to calculate the reaction velocity values.
10708	1	Inhibition of Arginase	Inhibition of arginase I (ARG I) and arginase II (ARG II) by Formula I or Formula II compounds is followed spectrophotometrically at 530 nm. The compound to be tested was dissolved in DMSO at an initial concentration 50-fold greater than its final concentration in the cuvette. 10 &#956;l of the stock solution was diluted in 90 &#956;l of the assay buffer that comprises 0.1M sodium phosphate buffer containing 130 mM NaCl, pH 7.4, to which is added ovalbumin (OVA) at a concentration of 1 mg/ml. Solutions of arginase I and II were prepared in 100 mM sodium phosphate buffer, pH 7.4 containing 1 mg/ml of OVA to give an arginase stock solution at a final concentration of 100 ng/ml.To each well of a 96-well microtiter plate was added 40 &#956;l of enzyme, 10 &#956;l of an inventive compound and 10 &#956;l of enzyme substrate (L-arginine+manganese sulfate). For wells that were used as positive controls, only the enzyme and its substrate were added, while wells used as negative controls contained only manganese sulfate.After incubating the microtiter plate at 37° C. for 60 minutes, 150 &#956;l of a urea reagent obtained by combining equal proportions (1:1) of reagents A and B is added to each well of the microtitcr plate to stop the reaction. The urea reagent is made just before use by combining Reagent A (10 mM o-phthaldialdehyde, and 0.4% polyoxyethylene (23) lauryl ether (w/v) in 1.8 M sulfuric acid) with Reagent B (1.3 mM primaquine diphosphate, 0.4% polyoxyethylene (23) lauryl ether (w/v), 130 mM boric acid in 3.6 mM sulfuric acid). After quenching the reaction mixture, the microtiter plate is allowed to stand for an additional 10 minutes at room temperature to allow the color to develop. The inhibition of arginase was computed by measuring the optical density (OD) of the reaction mixture at 530 nm and normalizing the OD value to percent inhibition observed in the control. The normalized OD is then used to generate a dose-response curve by plotting the the normalized OD values against log [concentration] and using regression analysis to compute the IC50 values.
10709	1	USP30 Biochemical Fluorescence Intensity IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.001 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of Ubiquitin-Rhodamine 110 (U-555; Boston Biochem) at a final concentration of 100 nM. Reactions were read immediately after addition of substrate and following a 2 h incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 487 nm; &#955; Emission 535 nm.
10710	1	Biological Assay	The kinase IC50 was determined by a commercialized CISBIO kinase detection kit, HTRF KinEASE-STK S2 kit (62ST2PEC). ROCK2 (01-119) employed in the reaction was purchased from Carna Biosciences.Before the assay, the following working solutions as needed were formulated with corresponding reagents according to the instruction of the kinase detection kit: 1×kinase buffer, 5×STK-52 substrate working solution (1.5 &#956;M) and 5×ATP working solution (1.5 &#956;M), 5×ROCK2 kinase working solution, 4×Streptavidin-XL665 working solution, and 4×STK-Ab-Cryptate 2 detection solution. Then the assay was performed according to the following procedure.A solution of a compound at a concentration of 10000 nM was prepared with the 1×kinase buffer containing 2.5% DMSO. Gradient dilution of the solution of the compound was performed with the kinase buffer containing DMSO, so as to obtain solutions of a test compound at 9 different concentrations. In addition to wells of test compounds, a positive well (containing all the reagents except the compound) and a negative well (containing all the reagents except the test compound and kinase) were set. Except for the control wells (positive and negative wells), a solution of a test compound (4 &#956;L) was added to each of the reaction wells, and a solution of 2.5% DMSO was added to the control wells. Then the substrate (2 &#956;M, i.e., 2 &#956;L. 5×STK-S2 substrate working solution) was added to each of the reaction wells. The 5×ROCK2 kinase working solution (2 &#956;L, containing 1.4 ng ROCK2 kinase) was added to each of the reaction wells except for the negative well, the volume of which was made up with the 1×kinase buffer (2 &#956;L). The 5×ATP working solution (2 &#956;L) was added to each of the reaction wells, and the mixtures were incubated at room temperature for 2 hours. After the kinase reaction was complete, the 4×Streptavidin-XL665 working solution was added to each of the reaction wells, the solutions were mixed, followed by immediate addition of the 4×STK-Ab-Cryptate 2 detection solution (5 &#956;L), and the mixtures were incubated at room temperature for 1 hour. The fluorescence signal was read on ENVISION (Perkinelmer) (excitation wavelength: 320 nm, and emission wavelength: 665 nm and 615 nm). The inhibitory rate in each well was calculated based on the fluorescence intensity value: ER (Emission Ratio)=(fluorescence intensity at 665 nm/fluorescence intensity at 615 nm); inhibitory rate=(ERpositive&#8722;ERtest compound)/(ERpositive&#8722;ERnegative)*100%. Curves were plotted and fitted to obtain the median inhibitory concentration (IC50) of each teat compound with the PRISM 5.0 software.
10711	1	MAGL Inhibitory Activity	Compounds of the present invention are MAGL inhibitors. Thus, in one aspect, the present invention provides the use of compounds of Formula (I) or a pharmaceutically acceptable salt thereof as described herein for inhibiting MAGL in a mammal.In a further aspect, the present invention provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof as described herein for use in a method of inhibiting MAGL in a mammal.In a further aspect, the present invention provides the use of compounds of Formula (I) or a pharmaceutically acceptable salt thereof as described herein for the preparation of a medicament for inhibiting MAGL in a mammal.In a further aspect, the present invention provides a method for inhibiting MAGL in a mammal, which method comprises administering an effective amount of a compound or a pharmaceutically acceptable salt thereof of Formula (I) as described herein to the mammal.Compounds were profiled for MAGL inhibitory activity by measuring the enzymatic activity of MAGL by following the hydrolysis of 4-nitorphenylacetate resulting in 4-nitrophenol, which absorbs at 405-412 nm (G. G. Muccioli, G. Labar, D. M. Lambert, Chem. Bio. Chem. 2008, 9, 2704-2710).The assay was carried out in 384 well assay plates (black with clear bottom, non-binding surface treated, Corning Ref. 3655) in a total volume of 40 &#956;L. Compound dilutions were made in 100% DMSO (VWR Chemicals 23500.297) in a polypropylene plate in 3-fold dilution steps to give a final concentration range in the assay from 25 &#956;M to 1.7 nM. 1 &#956;L compound dilutions (100% DMSO) were added to 19 &#956;L MAGL (recombinant wild-type) in assay buffer (50 mM TRIS (GIBCO, 15567-027), 1 mM EDTA (Fluka, 03690-100 ml)). The plate was shaked for 1 min at 2000 rpm (Variomag Teleshake) and then incubated for 15 min at RT. To start the reaction, 20 &#956;L 4-Nitrophenlyacetate (Sigma N-8130) in assay buffer with 6% EtOH was added. The final concentrations in the assay were 1 nM MAGL and 300 &#956;M 4-Nitrophenylacetate. After shaking (1 min, 2000 rpm) and 5 min incubation at RT, the absorbance at 405 nm was measured for a fist time (Molecular Devices, SpectraMax Paradigm). A second measurement was then done after incubation for 80 min at RT. From the two measurements, the slope was calculated by subtracting the first from the second measurement.
10712	1	Assay Condition B	The IC50 profile of compounds was determined using one protein kinase in a customized, thiol free assay. IC50 values were measured by testing 10 concentrations (1×10&#8722;05 M to 3×10&#8722;10 M) of each test compound in singlicate against each kinase of interest. Prior to testing, the 1×10&#8722;03 M stock solutions in column 2 of the master plates were subjected to a serial, semi-logarithmic dilution using 100% DMSO as a solvent. This resulted in 10 distinct concentrations, with a dilution endpoint of 3×10&#8722;08M/100% DMSO in column 12. Column 1 and 7 were filled with 100% DMSO as controls. Subsequently, 2×10 microliter from each well of the serial diluted copy plates were aliquoted with a 96 channel pipettor into two identical sets of compound dilution plates. All plates were barcoded for automated identification and tracking purposes. IC50 values were measured by testing 10 concentrations (1×10&#8722;05 M to 3×10&#8722;10 M) of each compound in singlicate. All compounds were stored as powder until being solubilized in DMSO. Solubilized compounds were stored as 1×10&#8722;02 M/100% DMSO stock solutions. Prior to the assay process, 90 microliters of H2O were added to each well of a set of compound dilution plates. To minimize potential precipitation, the H2O was added to each plate only a few minutes before the transfer of the compound solutions into the assay plates. Each plate was shaken thoroughly, resulting in compound dilution plates with a final of 10% DMSO. For each assay, 5 microliters of solution from each well of the compound dilution plates/10% DMSO were transferred into the assay plate. The final volume of the assay was 50 &#956;l. All compounds were tested at 10 final assay concentrations in the range from 1×10&#8722;05 M to 3×10&#8722;10 M, in singlicate. The final DMSO concentration in the reaction cocktails was 1% in all cases. A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the protein kinase. All kinase assays were performed in 96-well FlashPlates from PerkinElmer (Boston, Mass., USA) in a 50 microliter reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 microliter of assay buffer (standard buffer) 5 microliter of ATP solution (in H2O) 5 microliter of test compound (in 10% DMSO) 20 microliter enzyme/substrate mix. Each assay for the protein kinase contained 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 microM Na-orthovanadate, 1 mM TCEP, 50 &#956;g/ml PEG20000, ATP (corresponding to the apparent ATP-Km of the kinase, see Table A), [gamma-33P]-ATP (approx. 6×10×E5 cpm per well), with the protein kinase and relevant substrate being used in pre-determined amounts, depending on the kinase in question. For all experiments labeled as Thiol-free , all glutathione was exchanged from protein preparations so as to be removed from the assay and final buffer conditions contained no thiol-containing reagents. This was done so there would be no interference with the key cysteines in the proteins of interest.For data analysis, the median value of the counts in column 1 (n=8) of each assay plate was defined as low control. This value reflects unspecific binding of radioactivity to the plate in the absence of a protein kinase but in the presence of the substrate. The median value of the counts in column 7 of each assay plate (n=8) was taken as the high control, i.e. full activity in the absence of any inhibitor. The difference between high and low control was taken as 100% activity. As part of the data evaluation the low control value from a particular plate was subtracted from the high control value as well as from all 80 compound values of the corresponding plate. The residual activity (in %) for each well of a particular plate was calculated by using the following formula:Res.
10712	2	Assay Condition A	The IC50 profile of test compounds was determined using three protein kinases. IC50 values were measured by testing 10 concentrations (1×10&#8722;04M, 3×10&#8722;05M, 1×10&#8722;05M, 3×10&#8722;06M, 1×10&#8722;06M, 3×10&#8722;07M, 1×10&#8722;07M, 3×10&#8722;08M, 1×10&#8722;08M, and 3×10&#8722;09M) of each compound in singlicate.Test compounds: The compounds were provided as pre-weighed powders in vials. The compounds were dissolved to 1×10&#8722;02M by adding DMSO. 100 &#956;l of each of the resulting stock solutions were transferred into column 2 of four 96 well master plates.Prior to testing, the 1×10&#8722;02M stock solutions in column 2 of the master plates were subjected to a serial, semi-logarithmic dilution using 100% DMSO as a solvent. This resulted in 10 distinct concentrations, with a dilution endpoint of 3×10&#8722;07M/100% DMSO in column 12. Column 1 and 7 were filled with 100% DMSO as controls. Subsequently, 2×10 &#956;l from each well of the serial diluted copy plates were aliquoted with a 96 channel pipettor into two identical sets of compound dilution plates.In the process, 90 &#956;l H2O were added to each well of a set of compound dilution plates. To minimize potential precipitation, the H2O was added to each plate only a few minutes before the transfer of the compound solutions into the assay plates. Each plate was shaken thoroughly, resulting in a compound dilution plate/10% DMSO.For the assays, 5 &#956;l solution from each well of the compound dilution plates/10% DMSO were transferred into the assay plates. The final volume of the assay was 50 &#956;l. All compounds were tested at 10 final assay concentrations in the range from 1×10&#8722;04M to 3×10&#8722;09M, in singlicate. The final DMSO concentration in the reaction cocktails was 1% in all cases.
10713	1	Adenosine A2A Receptor Cyclic AMP GS Assay	Stably transfected HEK-293 cells expressing the human adenosine A2A receptor (Perkin Elmer) are maintained in MEM culture medium with 10% FBS and 400 &#956;g/mL Geneticin (Life Technologies). 18 to 24 hours prior to assay, geneticin is removed from culture. The cisbio cAMP-GS Dynamic kit utilizing the FRET (Fluorescence Resonance Energy Transfer) technology is used to measure cAMP accumulation in the cells. Compounds of the present disclosure at an appropriate concentration are mixed with 10000 cells/well in white 96 well half area plates (Perkin Elmer) for 30 min at RT gently shaking. Agonist, CGS21680 (R&D Technologies) at 4 nM is added to each well for 60 min at room temperature gently shaking. Detection reagents, d2-labeled cAMP (acceptor) and anti-cAMP cryptate (donor) are added to each well for 60 min at room temperature gently shaking. Plates are read on Pherastar (BMG Labtech), fluorescence ratio 665/620 is calculated and EC50 determination is performed by fitting the curve of percent of control versus the log of the compound concentration using GraphPad Prism.
10713	2	Adenosine A2B Receptor Cyclic AMP GS Assay	Stably transfected HEK-293 cells expressing the human adenosine A2B receptor (Perkin Elmer) were maintained in MEM culture medium with 10% FBS and 100 &#956;g/mL Geneticin (Life Technologies). 18 to 24 hours prior to assay, geneticin was removed from culture. The cisbio cAMP-GS Dynamic kit utilizing the FRET (Fluorescence Resonance Energy Transfer) technology was used to measure cAMP accumulation in the cells. Compounds of the present disclosure at an appropriate concentration were mixed with 10000 cells/well in white 96 well half area plates (Perkin Elmer) for 30 min at room temperature gently shaking. Agonist, NECA (R&D Technologies) at 12 nM was added to each well for 60 min at room temperature gently shaking. Detection reagents, d2-labeled cAMP (acceptor) and anti-cAMP cryptate (donor) were added to each well for 60 min at RT gently shaking. Plates were read on Pherastar (BMG Labtech), fluorescence ratio 665/620 was calculated and EC50 determination was performed by fitting the curve of percent of control versus the log of the compound concentration using GraphPad Prism.
10714	1	TBD	TBD
10714	2	TBD	TBD
10715	1	RSV-A Assay	The description is Japanese.
10716	1	Biological Assay	1. Determination of Inhibitory Activity of Human Recombinant SSAO/VAP-1Test purpose: The following methods can be used to determine the inhibitory activity of the compounds described in the examples of the invention for human recombinant SSAO/VAP-1.Test Materials:Human recombinant SSAO/VAP-1 (VAP-1, human) purchased from Sigma, Cat. No. SRP6241;Amplex Red Monoamine Oxidase Assay Kit purchased from Invitrogen, Cat. No. A12214;384-Well plate purchased from Corning, Cat. No. 6005174;Amplex Red Hydrogen PeroxidePeroxidase Assay Kit purchased from Invitrogen, Cat. No. A22188.Benzylamine hydrochloride purchased from Sigma, Cat. No. B5136-25G;DMSO (Dimethyl Sulfoxide) purchased from Sigma, Cat. No. D2650-100ML;Test Method:The test compound was dissolved in DMSO and diluted to 10 concentrations in 4-fold serial dilution. In 384 well plates, 25 &#956;L of human recombinant SSAO/VAP-1 (1.6 &#956;g/ml) was added to each well. 100 nL of test compounds with different concentrations were added to each well containing human recombinant SSAO/VAP-1 and incubated at room temperature for 30 min. After 30 min incubation, 25 &#956;l of Amplex red monoamine oxidase assay kit (containing a reaction mixture of 200 &#956;m Amplex Red reagent, 1 U/ml HRP and 1 mm benzylamine hydrochloride) was added to the corresponding well, and incubated at room temperature and dark for 60 min. After 60 min, the relative fluorescence unit (RFU) was read by using PerkinElmer&#39;s Envision at 530-560 nm excitation and 590 nm emission. The curve was drawn by using the graph pad prism 5 software, and the IC50 value was calculated. The results were shown in table 1, wherein the compound listed in table 1 is the compound in the preparation examples with the same compound number:
10717	1	In Vitro Assay	The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescence anisotropy. 
10718	1	PI3K-&#947; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
10718	2	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer).
10719	1	Solid Phase Integrin &#945;V&#946;6 Binding Assay	Microplates were coated with recombinant human integrin &#945;V&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25 OC, overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). Plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
10720	1	Binding Assay	The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration<0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points.
10721	1	CDK2/Cyclin E1 Mobility Shift Assay	The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type full length CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Mat1 enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 150 &#956;M ATP (ATP Km=67.4 &#956;M), 0.005% Tween-20, 3 &#956;M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA, pH 7.5. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable.
10721	2	CDK6/Cyclin D1 Mobility Shift Assay	The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) CDK6/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK6/CyclinD1 (LJIC-2003A2/1865) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
10721	3	CDK4/Cyclin D3 Mobility Shift Assay	The purpose CDK4/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % Conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 2 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 2 nM (active sites) CDK4/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for non-phosphorylated CDK4/Cyclin D3 (LJIC-2007/2010) were initiated with the addition of ATP (50 &#956;L final reaction volume), following a twelve minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 35 minutes by the addition of 50 &#956;L of 25 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
10722	1	Inhibition of CYP Enzyme Activity In Vitro	The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maximal inhibitory concentration (IC50) was calculated for compounds demonstrating mean inhibition greater than 50% compared to a reference inhibitor.
10723	1	In Vitro Enzyme Activity and Drug Binding	Ub-charging of E2 enzyme was performed for 90 min at 30° C. in a reaction containing 0.1 &#956;M GST-E1, 3.3 &#956;M E2/UbcH7, 10 &#956;M FLAG-Ub and 0.188 &#956;M PINK1 (all R&D systems). In a separate reaction 0.75 &#956;M Parkin (Ubiquigent) was preincubated with 20 &#956;M compound 4 (or equal volume of DMSO). Both reactions were diluted in Ub buffer (final concentration: 20 mM HEPES pH 7.2, 10 mM MgCl2, 0.1 mM EGTA, 500 &#956;M TCEP and 10% ATP regeneration system (20 mM HEPES pH 7.6, 10 mM ATP, 300 mM phosphocreatine, 10 mM MgCl2, 10% glycerol, 1.5 mg/mL creatine phosphokinase (all Sigma Aldrich))). 1 U Apyrase (Sigma) was added per 9 &#956;L reaction and both reactions were combined and incubated for an additional 30 min. 100 &#956;L of 1×LDS buffer was added per 10 &#956;L reaction and samples were split for &#8722;/+DTT (20 mM final).
10724	1	 Fluorescence Direct Binding Protocol	Process 1) Optimization of measurement parameters to minimize protein consumption and to minimize the dilution effect and the DMSO content 2) Titration measurements of the protein against ligand by at least 12 titration steps to obtain a good s-curve fit 3) Repeat the same titration measurements with the ligand alone to enable correction 4) Check the stability of the protein once by titration against DMSO alone 5) Determination of the molar extinction coefficients of the ligand at 280 and 340 nm with help of a UV-spectrophotometer 6) Use Excel template for the correction of the measured raw data 7) Use GraphPad Prism software for the quadratic binding fit and the Kd evaluation.
10725	1	FLIPR Assay	Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL of 10×HBSS that does not contain Ca++ or Mg++ (Gibco, Invitrogen, Grand Island, N.Y.) followed by 20 mL of 1.0 M Hepes, pH 7.3 (Fisher Scientific, BP299-100). The final buffer consisted of 20 mM Hepes, pH 7.3, 1.261 mM CaCl2, 0.493 mM MgCl2, 0.407 mM Mg(SO)4. 5.33 mM KC, 0.441 mM KH2PO4. 137 mM NaCl, 0.336 mM Na2HPO4 and 0.556 mM D-glucose (Hanks et al., Proc. Soc. Exp. Biol. Med. 71:196 (1949)), and the simple formulation was typically the basic buffer throughout the assay (i.e., all wash and addition steps).
10725	2	Electrophysiology Assay	Manual Electrophysiology: On the day of experimentation, the 35 mm dish is placed on the stage of an inverted microscope equipped with a perfusion system that continuously perfuses the culture dish with fresh recording media. A gravity driven superfusion system is used to apply test solutions directly to the cell under evaluation. This shooter system consists of an array of glass pipettes connected to a motorized horizontal translator. The outlet of the shooter is positioned approximately 100 &#956;m from the cell of interest.Whole cell currents are recorded using the whole-cell patch clamp configuration using an Axopatch 200B amplifier (Axon Instruments, Foster City Calif.), 1322A A/D converter (Axon Instruments) and pClamp software (v. 8; Axon Instruments) and stored on a personal computer. Gigaseals am formed and the whole-cell configuration is established in voltage clamp mode, and membrane currents generated by hNav1.7 channels are recorded. Borosilicate glass pipettes with resistance values between 1.5 and 2.0 M&#937; when filled with pipette solution are used and series resistance (<5 M&#937;) is compensated by 75-80%. Signals are sampled at 50 kHz and low pass filtered at 3 kHz.
10726	1	SHP2 Allosteric Inhibition Assay	More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO:1). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;l of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat #ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
10727	1	VEGFR2 and RET9 Binding Assay	A competition binding assay, was used to measure the ability of a compound to compete for binding of an immobilized adenosine triphosphate (ATP) site directed ligand using a DNA-tagged vascular endothelial growth receptor 2 (VEGFR2) as the target. A VEGFR2 tagged T7 phage strain was prepared in an Escherichia coli (E. coli) derived from the BL21 strain. The E. coli were grown to log-phase, infected with VEGFR2 tagged T7 phage and then incubated with shaking at 32° C. until lysis. The lysate containing the kinase was then centrifuged and filtered to remove cell debris. Affinity resin for the VEGFR2 assay was prepared by treating Streptavidin-coated magnetic beads with a biotinylated small molecule ligand for 30 minutes at room temperature. The beads were blocked with excess biotin and then washed with blocking buffer (SEABLOCK (PIERCE), 1% bovine serum albumin, 0.17% phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol). The binding reaction was initiated by combining in a well of a polystyrene 96-well plate, DNA tagged VEGFR2, liganded affinity beads and the serial diluted test compound in 1× binding buffer (20% SEABLOCK, 0.17× phosphate buffered saline, 0.05% TWEEN 20, 6 mM dithiothreitol) in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and then the beads were washed with wash buffer (1× phosphate buffered saline, 0.05% TWEEN 20). 
10728	1	Binding Assay 	Human &#945;2&#948;-1 enriched membranes (2.5 &#956;g) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH 10 mM, pH 7.4.NSB (non specific binding) was measured by adding 10 &#956;M pregabalin. The binding of the test compound was measured in five different concentrations. After 60 min incubation at 27° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, pH 7.4.Filter plates were dried at 60° C. for 1 hour and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.Readings were performed in a Trilux 1450 Microbeta radioactive counter (Perkin Elmer).
10728	2	Binding Assay	Human norepinephrine transporter (NET) enriched membranes (5 &#956;g) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer containing 50 mM Tris-HCl, 120 mM NaCl, 5 mM KCl, pH 7.4.NSB (non specific binding) was measured by adding 10 &#956;M desipramine. The binding of the test compound was measured in five different concentrations. After 60 min incubation at 4° C., binding reaction was terminated by filtering through Multiscreen GF/C (Millipore) presoaked in 0.5% polyethyleneimine in Vacuum Manifold Station, followed by 3 washes with ice-cold filtration buffer containing 50 mM Tris-HCl, 0.9% NaCl, pH 7.4.Filter plates were dried at 60° C. for 1 hour and 30 &#956;l of scintillation cocktail were added to each well before radioactivity reading.
10729	1	Biochemical Assay	LANCE LSD1/KDM1A demethylase assay 10 &#956;L of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM NaCl, 5 mM DTT) were preincubated for 1 hour at 25° C. with 0.8 &#956;L compound/DMSO dotted in black 384 well polystyrene plates. Reactions were started by addition of 10 &#956;L of assay buffer containing 0.4 &#956;M Biotin-labeled Histone H3 peptide substrate: ART-K(Me1)-QTARKSTGGKAPRKQLA-GGK (Biotin) SEQ ID NO:1 (AnaSpec 64355) and incubated for 1 hour at 25° C. Reactions were stopped by addition of 10 &#956;L 1×LANCE Detection Buffer (PerkinElmer CR97-100) supplemented with 1.5 nM Eu-anti-unmodified H3K4 Antibody (PerkinElmer TRF0404), and 225 nM LANCE Ultra Streptavidin (PerkinElmer TRF102) along with 0.9 mM Tranylcypromine-HCl (Millipore 616431). After stopping the reactions plates were incubated for 30 minutes and read on a PHERAstar FS plate reader (BMG Labtech). 
10730	1	Enzyme Assays	All 3&#8242;, 5&#8242; cyclic nucleotide phosphodiesterase (PDE) enzyme activities are measured with a radiometric enzyme assay based on SPA detection system (scintillation proximity assay). Compounds to be tested are diluted in pure dimethyl sulfoxide (DMSO) using ten point concentration response curves. Maximal compound concentration in the reaction mixture is either 10 or 100 &#956;M. Compounds at the appropriate concentration are pre-incubated with either of the PDE enzymes for 30 minutes before the reaction is started by the addition of substrate. Reactions are allowed to proceed for 60 minutes at room temperature. Next, reactions are stopped by addition of SPA beads. Samples are read 12 hours later in a MICROBETA TRILUX Counter. IC50 refers to the concentration of the compound that produces 50% of the maximal inhibitory response possible for that compound. IC50 values are calculated by plotting the normalized data vs. log [compound] and fitting the data using a four parameter logistic equation. PDE1B, PDE1A, and PDE1C: The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 50 mM MgC2, 4 mM CaCl2, 0.1% Bovine serum albumin and 6 U/ml Calmodulin in water, at pH 7.5. The final enzyme concentration is 0.25, 0.074 and 0.0012 nM, for PDE1A, PDE1B and PDE1C respectively. PDE3A,and PDE4D: he assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgCl2, 1.7 mM ethylenediarninetetraacetic acid (EDTA) and 0.1% Bovine serum albumin at pH 7.5. Final enzyme concentrations are 0.008 and 0.021 nM for PDE3A and PDE4D, respectively. PDE6A/6B: The catalytic active form of human PDE6 is a dimer composed of a &#945; (human PDE6A) and &#946; subunit (human PDE6B). The dimer of human PDE6A/6B is produced by the expression and purification strategy, using two purification steps, i.e., NiNTA and anti-FLAG Sepharose chromatography. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgC2, 1.7 mM EDTA and 0.1% Bovine serum albumin at pH 7.5. The final enzyme concentration is 5 nM. The reactions are started by addition of the substrate, [3H]cGMP, to give a final concentration of 80 nM.
10731	1	Protein-Protein Interaction Assay	MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;l of a 2.5-fold concentrated MBP-MCL-1 solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between MBP-MCL-1 and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Noxa BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-MBP-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of MCL-1/Noxa complexes was determined by measuring the resonance energy transfer of the anti-MBP-Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of MCL-1/NOXA complexes present.
10731	2	Protein-Protein Interaction Assay	BCL-2/Bad BH3 Peptide (BCL-2 Assay): The assay was initiated by addition of 2 &#956;l of a 2.5-fold concentrated His-BCL-2 solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-2 and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of BCL-2/Bad complexes was determined by measuring the resonance energy transfer of the anti-His-Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of BCL-2/Bad complexes present.
10731	3	Protein-Protein Interaction Assay	BCL-XL/Bad BH3 Peptide (BCL-XL Assay): The assay was initiated by addition of 2 &#956;l of a 2.5-fold concentrated His-BCL-XL solution (usually for a 1 nM end concentration in 5 &#956;l reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-XL and the compounds. After that, 3 &#956;l of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of BCL-XL/Bad complexes was determined by measuring the resonance energy transfer of the anti-His- Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of BCL-XL/Bad complexes present.
10732	1	Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10733	1	AlphaScreen Assay 	Assay A1 PI3K&#948;: The kinase reaction was conducted in 384-well REMP plate from Thermo Fisher Scientific in a final volume of 40 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K assays were carried out at room temperature in 50 mM HEPES, pH 7.4, 5 mM MgCl2, 50 mM NaCl, 5 mM DTT and CHAPS 0.04%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 1.2 nM PI3K&#948; were incubated for 20 min. 10 &#956;L of reaction mixture was then transferred to 5 &#956;L 50 nM biotinylated I(1,3,4,5)P4 in quench buffer: 50 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 5 mM DTT, 0.1% Tween-20, followed with the addition of 10 &#956;L AlphaScreen donor and acceptor beads suspended in quench buffer containing 25 nM PI(3,4,5)P3 detector protein. The final concentration of both donor and acceptor beads is 20 mg/ml. After plate sealing, the plate was incubated in a dark location at room temperature for 2 hours. The activity of the product was determined on Fusion-alpha microplate reader (Perkin-Elmer). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
10733	2	PI3K Enzyme Assay	PI3K&#945;, PI3K&#946;, PI3K&#947;: The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture was prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions were initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM respectively. Reactions were incubated for 180 min and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution was then transferred to 96-well Millipore MultiScreen IP 0.45 &#956;m PVDF filter plate (The filter plate was prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate was aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate was air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) was then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). 
10733	3	Scintillation Proximity Assay	PI3K&#948; Assay A3: The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 &#956;M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
10734	1	Kinetic Assay	Assays are performed in 96-well plates in a total volume of 200 &#956;l/well. Compounds are dissolved in dimethylsulfoxide (DMSO) and added to plates in a volume of 10 &#956;l followed by addition of 165 &#956;l of assay mix. Plates are pre-incubated at 25° C. for 15 min and the reactions are initiated by the addition of 25 &#956;l of cAMP followed by thorough mixing. Reaction rates are measured by monitoring the decrease in fluorescence using excitation at 355 nm and emission at 460 nm for a period of 10 min in a fluorescence plate reader. Initial rates (slopes) are determined from linear portions of the progress curves. Final concentrations of assay components are as follows: 50 mM Tris, pH 8, 10 mM MgCl2, 50 mM KCl, 2% DMSO, 5 mM tris(2-carboxyethyl)phosphine (TCEP), 0.4 mM phosphenolpyruvate (PEP), 0.01 mM NADH, 0.04 mM adenosine triphosphate (ATP), 0.004 mM cAMP, 7.5 units myokinase from yeast, 1.6 units pyruvate kinase, 2 units lactate dehydrogenase, and either 0.5 nM human PDE4D7 or 10 nM human PDE4B1. All data are percent normalized relative to controls and are presented as percent inhibition. An inhibitory concentration 50% (IC50) value is calculated by fitting of a sigmoidal dose response curve. Human PDE4D7 contained a mutation of serine 54 to aspartic acid to mimic activation by cAMP-dependent protein kinase A (PKA). Human PDE4B1 contained a corresponding mutation of serine 133 to aspartic acid to also mimic PKA activation.
10735	1	In Vitro Binding Assay	Fluorescence polarization assay (FP assay) was used to detect the affinity of compounds for human STING proteins. There were a certain amount of fluorescein-labeled c-di-GMP and different concentrations of test compounds in the reaction system. When the C-terminal protein of recombinant human STING was added, two small molecules competitively combined with the protein. The rotation of the fluorescein-labeled c-di-GMP in the bound phase is relatively slow in the liquid phase, and the degree of fluorescence polarization detected is relatively high. The degree of fluorescence polarization is inversely proportional to the concentration and affinity of the compound to be tested. By detecting the size of the polarized light in the reaction system, we can accurately know the affinity of the compound to be tested for human STING.
10736	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
10737	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
10738	1	TrkA Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkA (0.4 nM, Carna 08-186) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 &#956;M sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 200 pM TrkA, 1.5 &#956;M peptide substrate and 55 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
10738	2	TrkB Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, TrkB (0.6 nM, Carna 08-187) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 300 pM TrkB, 1.5 &#956;M peptide substrate and 70 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 180 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
10738	3	c-FMS Activity	Reagents and consumables were purchased from Sigma Aldrich, Carna Biosciences, or Caliper Life Sciences. All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polypropylene plate, c-FMS (0.14 nM, Carna 08-155) was pre-incubated in a 100 mM Hepes-NaOH pH 7.5 buffer containing 0.01% Triton X-100, 10 mM MgCl2, 0.1% BSA, 1 mM DTT, 10 uM sodium orthovanadate and 10 &#956;M beta-glycerophosphate and compound with a concentration of 2.5% DMSO for 15 minutes at room temperature. The reaction was initiated with an equal volume of peptide substrate (Caliper Life Sciences catalog no. 760430) and ATP in the aforementioned buffer. The final concentrations in the reaction were 70 pM c-FMS, 1.5 &#956;M peptide substrate and 500 &#956;M ATP (ATP Km). The reaction was incubated at room temperature for 120 minutes and terminated with a buffer containing excess EDTA (100 mM Hepes-NaOH pH 7.5, 0.02% Brij, 0.1% CR-3, 0.36% DMSO and 100 mM EDTA). The plate was run for one cycle on a LabChip 3000 (Caliper Life Sciences, Hopkinton, Mass.) in an off-chip mobility shift type assay with an upstream voltage of &#8722;2250 volts, a downstream voltage of &#8722;500 volts and a vacuum pressure of &#8722;1.6 psi. The LabChip 3000 separates and measures the fluorescent signal of fluorescein labeled peptide substrate and fluorescein labeled peptide product present in each well. Results are expressed as percent conversion by measuring peak height for both the substrate and product and dividing the product peak height by the sum of peak heights for both substrate and product. On every plate 100% inhibition (with a saturating concentration of staurosporine) and 0% inhibition (substrate with enzyme and DMSO) controls were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value.
10738	4	TrkC Activity	Human TrkC, catalytic domain [456-825 (end) amino acids of accession number NP_002521.2] was expressed as N-terminal GST-fusion protein (69 kDa) using baculovirus expression system. GST-TRKC was purified by using glutathione sepharose chromatography and stored in 50 mM Tris-HCl, 150 mM NaCl, 0.05% Brij35, 1 mM DTT, 10% glycerol, pH7.5 at &#8722;80 C. The kinase activity was measured by off-chip mobility shift assay. The enzyme was incubated with fluorecence-labeled substrate, Srctide, in the presence of 100 uM of ATP (Mg/or Mn)/ATP). The phosphorylated and unphosphorylated substrates were separated and detected by LabChip 3000.
10739	1	Acetyl-Histone Binding Assay	Assays were performed as described previously with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, pH 7.4 supplemented with 0.05% CHAPS and allowed to equilibrate to room temperature prior to addition to plates. A 24-point 1:2 serial dilution of the ligands was prepared over the range of 150-0 &#956;M and 4 &#956;l transferred to low-volume 384-well plates (PROXIPLATE -384 Plus, PerkinElmer, USA), followed by 4 &#956;l of HIS-tagged protein (BRD4/1, 250 nM, BRD4/2 and CREBBP, 2000 nM). Plates were sealed and incubated at room temperature for 30 minutes, before the addition of 4 &#956;l of biotinylated peptide at equimolar concentration to the protein [peptide for BRD4(1) & BRD4(2), and BRDT: H4K5acK8acK12acK16ac, H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH; peptide for CREBBP: H3K36ac, Biotin-KSAPATGGVK(Ac)KPHRYRPGT-OH (Cambridge Research Biochemicals, UK)]. Plates were sealed and incubated for a further 30 minutes, before the addition of 4 &#956;l of streptavidin-coated donor beads (25 &#956;g/ml) and 4 &#956;l nickel chelate acceptor beads (25 &#956;g/ml) under low light conditions. Plates were foil-sealed to protect from light, incubated at room temperature for 60 minutes and read on a PHERASTAR FS plate reader (BMG Labtech, Germany) using an ALPHASCREEN 680 excitation/570 emission filter set. IC50 values were calculated in Prism 5 (GRAPHPAD Software, USA) after normalization against corresponding DMSO controls and are given as the final concentration of compound in the 20 &#956;l reaction volume.
10740	1	TRPM8 receptor assay	In the first set of data, the potency and in vitro effects of test compounds were evaluated on cloned hTRPM8 channel (encoded by the human TRPM8 gene, expressed in CHO cells) using a Fluo-8 calcium kit and a Fluorescence Imaging Plate Reader (FLIPRTETRA ) instrument. The assays were conducted by ChanTest Corporation (Cleveland, Ohio 44128, USA). Test solutions were in a HEPES-buffered saline, in 384-well plates, and placed into the FLIPR instrument (Molecular Devices Corporation, Union City, Calif., USA). Four 4 to 8 concentrations were tested, with L-menthol as the positive control. The test cells were Chinese Hamster Ovary (CHO) cells stably transfected with human TRPM8 cDNAs. Concentration-response data were analyzed via FLIPR Control software) and fitted to a Hill equation for the EC50. The 95% Confidence Interval was obtained using GraphPad Prism 6 software.
10741	1	Homogenous Time-Resolved Fluorescence Assay (HTRF1 Assay)	The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in 1×PBS buffer pH 7.4, 1 mM DTT, 0.1% BSA, 2.5 nM GST-hMDM2 (aa 1-188), 5 nM biotinylated-p53 (aa 1-83), 1.8 nM SA-XLent (Cisbio; Bedford, Mass.), 0.6 nM anti-GST cryptate monoclonal antibody (Cisbio; Bedford, Mass.) and 200 mM KF. Amino acid residues 1-188 of human MDM2 were expressed as an amino-terminal glutathione-S-transferase (GST) fusion protein (GST-hMDM2) in Escherichia coli. Residues 1-83 of human p53 were expressed as an amino-terminal AviTag-TrxA-6×His fusion protein (biotinylated p53) in E. coli. Each protein was purified from cell paste by affinity chromatography.Specifically, 10 uL of GST-hMDM2 was incubated with 10 ul of diluted compound (various concentrations, serially diluted) in 10% DMSO for 20 minutes at room temperature. 20 uL of biotinylated-p53 was added to the GST-hMDM2+ compound mixture, and then incubated at room temperature for 60 min. 10 uL of detection buffer consisting of SA-XLent, anti-GST cryptate antibody and KF was added to GST-hMDM2, biotinylated-p53 and compound reaction and left at room temperature to reach equilibrium for >4 hrs. The final concentration of DMSO in the reaction was 2%. Time-resolved fluorescence readings were measured on a microplate multilabel reader. Percentage of inhibition was calculated relative to nutlin-3.
10741	2	HTRF3 Assay	This assay was run using the same conditions as the HTRF1 assay except that 20 uL of GST-hMDM2 was incubated with 1.0 ul of diluted compound.
10741	3	HTRF2 Assay	As the potencies of the HDM2 inhibitors increased, an improved HTRF assay (HTRF2 assay) was developed. All assay conditions remained the same as described above, with the exception of the following changes in reagent concentrations: 0.2 nM GST-hMDM2 (1-188), 0.5 nM biotinylated-p53 (1-83), 0.18 nM SA-XLent, and 100 mM KF.
10742	1	biochemical assay using the ADP-Glo technology	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate.A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 &#956;l of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column 1) add 2× rxn buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0ul.The plate was quickly centrifuged and the reaction was incubated at 30° C. for 30 minutes. Adding 5 &#956;l of ADP-Glo terminated the reaction. The plate was quickly centrifuged and the reaction was incubated at room temperature for 40 minutes. Kinase Detection Reagent was then added and incubated at room temperature for 30 minutes. The relative light unit (RLU) of kinase reaction was determined by luminescent (Luminescence 0.1 s) using a Wallac Victor2 Luminometer (PerkinElmer, Waltham, Mass., USA).
10743	1	Protein Kinase Assay	Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief, for each reaction, kinase and substrate were mixed in a buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. All compounds were solubilized in DMSO. Compounds were then added to each reaction mixture via acoustic dispense using an ECHO 550 nanoliter dispenser. For human RAF1 testing, human MEK1 (K97R) was used as a substrate at a concentration of 3 micromolar, with a final ATP concentration of 10 micromolar. For human BRAF testing, human MEK1 (K97R) was used as a substrate at 1 micromolar concentration, with a final ATP concentration of 25 micromolar. Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution starting at 10 micromolar. After a 20-min incubation, ATP (Sigma-Aldrich, St. Louis, Mo. 63178) and [g33P] ATP (specific activity 10 microCi/microliter) purchased at PerkinElmer (Boston, Mass., 02118 Cat #BLU 003H250UC) were added at a final total concentration of 10 mM. Reactions were carried out at room temperature for 2 hr and spotted onto P81 ion exchange cellulose chromatography paper (Reaction Biology). Filter paper was washed in 0.75% phosphoric acid to remove unincorporated ATP. The percent remaining kinase activity relative to a vehicle-containing (DMSO) kinase reaction was calculated for each kinase/inhibitor pair. IC50 values were calculated using Prism 5 (GraphPad).
10744	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
10745	1	LpxC Binding Assay	IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.
10746	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10747	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.2 &#956;L was transferred to the wells of a 384-well plate. For the isoforms of FGFR (&#8722;1, &#8722;2, &#8722;3 wild-type and mutant isoforms, &#8722;4) including phosphorylated and un-phosphorylated proteins, a 5 &#956;L/well volume of enzyme diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated with inhibitor for 5 to 15 minutes at ambient temperature. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The reaction was initiated by the addition of a 5 &#956;L/well volume containing both biotinylated EQEDEPEGDYFEWLE (SEQ ID NO. 1) peptide substrate and ATP in assay buffer. The 10 uL/well reaction concentration of the peptide substrate was 500 nM whereas the ATP concentration was maintained near or below the ATP Km for each FGFR isoform. The ATP Km values were pre-determined for each FGFR isoform in a separate series of experiments. The reaction plate was incubated at 25° C. for 1 hr and the reactions were ended with the addition of 5 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 45 mM EDTA, 600 nM staurosporin, with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 10 minutes at ambient temperature before scanning on a PheraStar plate reader (BMG Labtech) instrument. Either GraphPad prism or XLfit was used to analyze the data.
10748	1	Measurement of Inhibitory Activity Against JAK3 and BTK Enzymes	JAK3 and BTK kinases inhibitory activities were measured for the compounds prepared in the Examples through in vitro analysis on the ADP Glow (Glo) platform.Specifically, the inhibitory activities against JAK3 and BTK kinase were measured using a JAK3 kinase assay kit (Promega, V9441) and a BTK kinase assay kit (Promega, V9071) which were purchased from Promega. Recombinant purified human JAK3 and BTK were diluted with 1× kinase reaction buffer (JAK3: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 uM DTT/BTK: 40 mM Tris-Cl, pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 2 mM MnCl2 and 50 uM DTT) and added to 96 well plates (JAK3: final concentration of 4 ng per reaction/BTK: final concentration of 8 ng per reaction). The compounds prepared in the previous Examples were treated so as to be finally a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (JAK3: final concentration of 5 uM/BTK: final concentration of 10 uM) and 0.2 ug/uL of Poly(Glu4, Tyr1) peptide (JAK3 and BTK final concentration) in the total 25 uL reactants was added to 96-well plates to initiate enzymatic reaction. After incubation (30° C.) for 1 hour, equivalent volume (25 uL per reaction) of ADP Glo was added and incubated (30° C.) for 40 minutes at room temperature. Then, a kinase detection reagent (50 uL per reaction) was added and incubated (30° C.) for 30 minutes at room temperature. The kinase activity was measured by chemiluminescence according to the instructions of ADP Glo kinase assay kit, and the inhibitory activity of the compounds according to the present invention was calculated. For the analysis of the results of each compound, Microsoft Excel was used, and IC50 values were calculated by SigmaPlot software.
10749	1	Axl Kinase Assay	Certain compounds of formula (I) were tested for their potency in inhibiting Axl kinase. Inhibition of Axl kinase activity by a test compound was calculated by AlphaScreen (PerkinElmer 6760620M). Standard assay conditions included 1 ng of recombinant Axl kinase (SignalChem) with 3-10 ng Poly-(GT)-Biotin (Cisbio) in the assay buffer, i.e., 40 &#956;M ATP (Sigma), 10 mM MOPs, pH7.0 (Sigma M-1254), 0.21 mM EDTA (Sigma E-6758), 0.5% glycerol (J. T Baker 2136-1), 1 mg/ml BSA (Bio-Rad 500-0007), 0.01% 2-mercaptoethanol (BDH 441433A), and 0.001% Brij35 (Sigma P1254) in a final volume of 25 &#956;L. Reactions were incubated at 30° C. for 30 minutes and stopped by adding 5 &#956;L of 50 mM EDTA. Product analysis was performed using the AlphaScreen kit and counted with Enspire Alpha (PerkinElmer). Screen values of inhibitors were determined after carrying out assays with eight serially diluted concentrations in duplication. Results were analyzed using linear regression software (GraphPad Prism 4; GraphPad Software Inc.).
10749	2	Mer Kinase Assay	Certain compounds of formula (I) were tested for their potency in inhibiting Mer kinase. Inhibition of Mer kinase activity by a test compound was calculated by AlphaScreen (PerkinElmer 6760620M). Standard assay conditions included 2 ng of recombinant Mer kinase (SignalChem) with 5 ng Poly-(GT)-Biotin (Cisbio) in the assay buffer, i.e., 10 &#956;M ATP (Sigma), 8 mM MOPs, pH7.0 (Sigma M-1254), 0.2 mM EDTA (Sigma E-6758), 0.5% glycerol (J. T Baker 2136-1), 0.1 mg/ml BSA (Bio-Rad 500-0007), 0.01% 2-mercaptoethanol (BDH 441433A), 0.001% Brij35 (Sigma P1254), 10 mM MgCl2, and 10 mM MnCl2 in a final volume of 25 &#956;L. Reactions were incubated at 30° C. for 30 minutes and stopped by adding 5 &#956;L of 50 mM EDTA. Product analysis was performed using the AlphaScreen kit and counted with Enspire Alpha (PerkinElmer). Screen values of inhibitors were determined after carrying out assays with each compound at serially diluted concentrations in duplication. Results were analyzed using linear regression software (GraphPad Prism 4; GraphPad Software Inc.).
10749	3	Met Kinase Assay	Certain compounds of formula (I) were tested for their potency in inhibiting Met kinase. Inhibition of Met kinase activity by a test compound was calculated by AlphaScreen (PerkinElmer 6760620M). Standard assay conditions included 1 ng of recombinant Mer kinase (SignalChem) with 3 ng Poly-(GT)-Biotin (Cisbio) in the assay buffer, i.e., 10 &#956;M ATP (Sigma), 8 mM MOPs, pH7.0 (Sigma M-1254), 0.2 mM EDTA (Sigma E-6758), 0.5% glycerol (J. T Baker 2136-1), 0.1 mg/ml BSA (Bio-Rad 500-0007), 0.01% 2-mercaptoethanol (BDH 441433A), 0.001% Brij35 (Sigma P1254), 10 mM MgCl2, and 10 mM MnCl2 in a final volume of 25 &#956;L. Reactions were incubated at 30° C. for 30 minutes and stopped by adding 5 &#956;L of 50 mM EDTA. Product analysis was performed using the AlphaScreen kit and counted with Enspire Alpha (PerkinElmer). Screen values of inhibitors were determined after carrying out assays with each compound at serially diluted concentrations in duplication. Results were analyzed using linear regression software (GraphPad Prism 4; GraphPad Software Inc.).
10750	1	Assay of Small Molecular Compounds for Inhibiting the Activity of c-MET Kinase	The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 &#956;L of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 &#956;L of 2× c-MET kinase solution (concentration was 2 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 5 minutes.4. 2.5 &#956;L 4× Ultra ULight -JAK-1 (Tyr1023) Peptide (concentration was 400 nM)/ATP (concentration was 40 &#956;M) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 &#956;L/well 4× substrate/ATP mixture and 7.5 &#956;L 1× Kinase Assay Buffer were added to the wells of the 384-well plate.6. Positive control: 2.5 &#956;L/well 4× substrate/ATP mixture, 2.5 &#956;L/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 L/well 2× c-MET kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.7. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.8. Termination of the enzymatic reaction: 5 &#956;L of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.9. Development of the reaction: 5 &#956;L of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.10. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.11. Analysis and processing of the raw data:12. The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well&#8722;reading of experimental well)/(reading of positive control well&#8722;reading of negative control well)×100%. Processing with GraphPad Prism5 software yielded the corresponding IC50 values (the concentration of the compound at which 50% of the highest inhibition of the enzyme is achieved).
10750	2	Assay of Small Molecular Compounds for Inhibiting the Activity of VEGFR-2 Kinase	The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 &#956;L of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 &#956;L of 2× VEGFR-2 kinase solution (concentration was 0.5 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 30 minutes.4. 2.5 &#956;L 4× Ultra ULight -JAK-1 (Tyr1023) Peptide (concentration was 200 nM)/ATP (concentration was 40 &#956;M) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 &#956;L/well 4× substrate/ATP mixture and 7.5 &#956;L 1× Kinase Assay Buffer were added to the wells of the 384-well plate.6. Positive control: 2.5 &#956;L/well 4× substrate/ATP mixture, 2.5 &#956;L/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 &#956;L/well 2× VEGFR-2 kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.7. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.8. Termination of the enzymatic reaction: 5 &#956;L of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.9. Development of the reaction: 5 &#956;L of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.10. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.11. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well&#8722;reading of experimental well)/(reading of positive control well&#8722;reading of negative control well)×100%. Processing with GraphPad Prism5 software yielded the corresponding IC50 values (the concentration of the compound at which 50% of the highest inhibition of the enzyme is achieved).
10753	1	MAPK13 and MAPK14 enzyme assays	ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski&#39;s Rule of 5, partition coefficient (log P), and topological polar surface area (tPSA). Acceptable analogs were assessed for IC50 in MAPK13 and MAPK14 enzyme assays, using inhibition of the closely related MAPK14 as a surrogate for specificity against the broader kinome.
10754	1	PDE10A assay	Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (OptiPlate white, Perkin Elmer) and using Yttrium silicate microsphere beads (Y-Si beads, Perkin Elmer). Compounds were diluted in 20 mM HEPES/NaOH (pH 7.5), 10 mM MgCl2 and 0.05 mg/ml bovine serum albumin. A fixed amount of 2 ng/well human PDE10A enzyme was added and incubated at room temperature for 15 min under agitation. The reaction was started by the addition of the substrate cocktail [3H]cGMP (Perkin Elmer NET337001MC, S.A. 13.5 Ci/mmol) / cGMP at a final concentration of 50 nM and incubated for an additional 15 min. The reaction was stopped by the addition of 0.5 mg/well of Y-Si SPA beads. The plates were shaken for 1 h, followed by a brief centrifugation (170 g for 1 min). The radioactivity bound to the beads was estimated using a TopCount (Perkin-Elmer). For the determination of IC50 values, a four parameters logistics equation was used. pIC50 is defined as &#8722; log10(IC50).
10755	1	Inhibitory Activity Assay	Non-limiting examples of the HPTP&#946; IC50 (&#956;M) activity.
10756	1	Scintillation Proximity Assay (SPA)	The p300 HAT domain (residues 1287-1666) was expressed and purified with an N-terminal His tag from Escherichia coli cells. The expressed protein was purified by Ni2+ affinity, followed by anion exchange chromatography. Appropriate fractions were pooled and buffer exchanged into 20 mM Hepes pH 7.5, 150 mM NaCl, and 1 mM TCEP. Compounds of interest solubilized in DMSO were stamped in a Greiner black 384-well plate in a 10-point duplicate dose response using an Echo 550 (Labcyte). p300-HAT domain purified in-house (aa 1287-1666) was diluted to 6 nM in reaction buffer (50 mM Tris pH 8.0, 100 mM NaCl, 1 mM DTT, 0.069 mM Brij-35, 0.1 mM EDTA, 0.1 mg/mL BSA), combined with 4.14 uM AcCoA (Sigma-Aldrich) and 0.46 uM 3H-AcCoA (PerkinElmer), and 12.5 uM added to each well and incubated for 30 min at RT. Reactions were initiated with 12.5 uL 2 uM biotinylated H3(1-21) peptide (New England Peptide) and run for 1 hr at RT, then quenched with 20 uL stop solution (200 mM Tris pH 8.0, 200 mM EDTA, 2M NaCl, 160 uM anacardic acid). 35 uL of the reaction volume was transferred to a 384-well streptavidin FlashPlate (PerkinElmer) using a Bravo liquid handler (Velocity 11) and incubated for 1.5 hr at RT. Plates were aspirated, washed with 95 uL wash buffer (15 mM Tris pH 8.5, 0.069 uM Brij-35), aspirated, sealed, and scintillation counts read on a Topcount (PerkinElmer).
10757	1	Radiometric Filtration Binding Competition Assay	Briefly, the recombinant C-terminal ligand binding domain of the human STING protein (140-379) or mouse STING protein (139-328) [0.5 &#956;M] was incubated in the presence of a compound of the present application (8 point, 2 fold dilution starting at 300 &#956;M) for 30 min or under control conditions. H3 labeled 2&#8242;3&#8242;cGAMP [25 nM] was then added and allowed to reach binding equilibrium (1 hour). The resulting complexes were then filtered, dried, and scintillation fluid was added and the remaining radio signal was measured to determine the degree of compound ligand inhibition. This assay format was optimized for both the WT and HAQ isoforms of the human protein and the mouse orthologue protein. Assay DevelopmentParameters Optimized:a. Form of protein: 6×HIS-SUMO tag or untaggedb. Concentration of target protein: Minimum concentration that achieved >80 max signalc. Assay DMSO concentration: 10%-0.1%d. Assay Buffer: Base (Tris or phosphate), Salt concentration, +/&#8722;Tween (0.1-2%)e. Synthesis of Probe: (1) Enzymatic incorporation of a S35-ATP and cold GTP into a 2&#8242;3&#8242;cGAMP product using a mouse cGAS enzyme with subsequent purification. (2) Tritium incorporation into 2&#8242;3&#8242;cGAMPf. Probe Concentration: Minimum concentration that achieved max assay windowg. Assay Format: Scintillation Proximity Bead or Filtration Binding Plateh. Assay Plate: 384 vs 96 well formati. Assay incubation times for successive incubation steps
10758	1	In Vitro Pharmacology	The HTRF-based assays from CisBio Bioassays allow the measure of different cell signaling pathways, notably those allowing the determination of the production of the second messenger inositol phosphate (IP). IP1 production was determined using the IP-One HTRF kit (CisBio Bioassays), a competitive immunoassay using cryptate-labeled anti-IP1 antibody and d2-labeled IP.
10759	1	UCHL1 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series to be 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. UCHL1 was diluted in reaction buffer (20 mM Tris, pH 7.5, 100 mM NaCl, 0.05% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted UCHL1 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10759	2	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 &#956;M for a final concentration of 100 &#956;M) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 &#956;M final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 &#956;l. Either 1 &#956;l of 50% DMSO or diluted compound was added to the plate. USP30 was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to the equivalent of 0.05 &#956;l/well and 10 &#956;l of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
10760	1	BRAF V600E and V600K Enzyme Assay	A competitive displacement assay was configured for B-Raf that monitors the amount of a fluorescently-tagged tracer bound to B-Raf via TR-FRET from an anti-tag Eu-labeled antibody also bound to B-Raf. For full-length FLAG-tagged B-Raf(V600E), the assay mixtures consisted of 25 mM K+HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, 1 mM DTT, 2% DMSO (from compound), 50 nM Tracer 1710 (ThermoFisher, PR9176A), 0.5 nM Eu anti-FLAG (M2)-cryptate Ab (Cisbio, 61FG2KLB) and 5 nM full-length, N-terminally FLAG-tagged B-Raf(V600E) (Origene Technologies, TP700031. When B-Raf(V600K) was assayed, the following substitutions were made: 15 nM Tracer 178 (ThermoFisher, PV5593), 2 nM Eu-anti-GST Ab (ThermoFisher, PV5595) and 5 nM N-terminally GST-tagged B-Raf(V600K) (331-end, SignalChem, B08-12DG). Compounds were typically diluted in DMSO across an 11-point dosing range created using a 3-fold serial dilution protocol at a top dose of 10 &#956;M. The assay was run in 384-well, polystyrene, low-volume, non-treated, white microtiter plates (Costar 4512) in a final volume of 12 &#956;L. Low control wells included 1 &#956;M of a potent B-Raf inhibitor as a control. 
10761	1	Inhibition of Syk and JAK Kinases	The kinase reaction is performed in a black U-bottom 96-well microtitre plate. The final reaction volume is 50 &#956;L and contains a final concentration of 1 nM active SYK enzyme, 550 nM SYK-substrate, and 100 &#956;M ATP diluted in a buffer containing 50 mM Tris pH 7.5, 5 mM MgCl2, and 1 mM DTT. The reaction is allowed to proceed for 1 hour at room temperature. The quench buffer contains 100 mM Tris pH 7.5, 300 mM NaCl2, 20 mM EDTA, 0.02% Brij35, and 0.5% BSA. The detection reagents are added to the reaction mixture at the following dilutions 1:500 for Eu-W1024-PY100 and 1:250 for SA-APC. The kinase reaction is terminated by the addition of 50 &#956;L quench buffer containing the detection reagents. The detection is allowed to proceed for 1 hr at room temperature. Detection of the phosphorylated substrate in the absence and presence of inhibitors is measured in the TR-FRET instrument, Analyst HT (Molecular Probes, Sunnyvale, Calif.) and the condition for measurements are set up using CriterionHost Release 2.0 (Molecular Probes, Sunnyvale, Calif.). The settings used are a follows: excitation 360 nm, emission 665-7.5 nm, beam splitter 350 nm 50/50, flash 100 pulses, delay 60 us, integration 400 us, z-height 2 mm.
10762	1	Inhibition of JAK	The study of the effect of compounds on the activity of purified recombinant JAK was performed by studying the inhibitory activity of the compounds on JAK from the enzymatic level. The experimental principle is to use a luminescence kinase assay to detect the ADP content produced by the reaction of JAK with the substrate Poly (4:1 Glu, Tyr) peptide: after ADP is converted to ATP, ATP can act as a substrate for the Ultra-Glo luciferase catalytic reaction, producing an optical signal. The luminescence signal is positively correlated with the amount of ADP and kinase activity. Therefore, the inhibitory effect of the compounds on the recombinant JAK was determined by observing the luminescence signal produced by the reaction of JAK and the substrate, and was expressed by IC50.
10763	1	Bromodomain TR-FRET Competition Binding Assay	A mixture of biotinylated-ligand and SureLight Allophycocyanin-Streptavidin (APC-SA, PerkinElmer AD0201) in 50 mM HEPES (pH 7.4), 50 mM NaCl, 1 mM TCEP (pH 7), 0.01% (v/v) Tween-20, 0.01% (w/v) bovine serum albumin was added to a white 384-well PerkinElmer Proxiplate Plus plate. DMSO or 3-fold serially diluted compounds were then added to the Proxiplate followed by addition of Flag-BRD9. After a 10-minute incubation at room temperature, Eu-W1024 anti-FLAG (PerkinElmer, AD0273) was added. The final reaction miture that contained 3.75 nM biotinylated ligand, 3 nM Flag-BRD9, 7.5 nM SureLight Allophycocyanin-Streptavidin, and 0.2 nM Eu-W1024 anti-FLAG was incubated at room temperature for 90 minutes.
10764	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
10765	1	Enzymatic Assay	Recombinant human IDO1 (rhIDO1) was expressed and purified from cultures of EC538 strain of E. coli transformed with pREP4 and pQE9-IDO plasmid. Reaction mixes were set up in 384-well microplates containing 50 mM phosphate buffer, 10 mM ascorbic, 10 &#956;M methylene blue, 100 &#956;g/mL catalase, 80 &#956;M TRP, 0.01% Tween 20 (v/v) mixed with rhIDO1 (15 &#956;L) at a final concentration of 9 nM in a total volume of 30 &#956;L assay medium. The plates were incubated at 37° C. for 30 min, and the enzymatic reaction was terminated by adding piperidine (200 mM) and heated at 65° C. for 20 min. Fluorescence intensity was read at &#955;ex 400 nm and &#955;em 500 nm. Test compounds were dissolved in 100% DMSO and pre-diluted in assay medium prior to adding rhIDO1.
10766	1	TYK2 JH2 Domain Binding Assay	The binding reaction was assembled by combining 16 &#956;l of DNA-tagged kinase extract, 3.8 &#956;l liganded affinity beads, and 0.18 &#956;l test compound (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA)]. Extracts were used directly in binding assays without any enzyme purification steps at a &#8805;10,000-fold overall stock dilution (final DNA-tagged enzyme concentration <0.1 nM). Extracts were loaded with DNA-tag and diluted into the binding reaction in a two step process. First extracts were diluted 1:100 in 1× binding buffer (PBS/0.05% Tween 20/10 mM DTT/0.1% BSA/2 &#956;g/ml sonicated salmon sperm DNA) containing 10 nM DNA-tag. This dilution was allowed to equilibrate at room temperature for 15 minutes and then subsequently diluted 1:100 in 1× binding buffer. Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO
10767	1	Homogeneous Time-Resolved Fluorescence (HTRF) PD-1/PD-L1 Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin.
10751	1	Inhibition of Tryptophan Hydroxylase Activity	In order to confirm the inhibitory effect of the compound represented by formula 1 according to the present invention on the tryptophan hydroxylase activity, it was measured using a TPH1 (tryptophan hydroxylase 1) inhibitor screening assay kit (BPS Bioscience, Catalog #72053). The TPH1 inhibitor screening assay kit was used according to the manufacturer&#39;s manual. The results are shown in table below.Particularly, the synthesized compound was dissolved in DMSO, which was added to a 96-well microplate (10 Figure US11407763-20220809-P00004/well), to which TPH1 enzyme was added (40 Figure US11407763-20220809-P00004/well). Then, TPH1 reaction solution was added to the microplate (50 Figure US11407763-20220809-P00004/well) and the microplate was shaded with aluminum foil. The microplate was transferred to 4° C. environment, shaken carefully and incubated for 4 hours. After adding a quench solution to the microplate (10 Figure US11407763-20220809-P00004/well), the TPH1 activity was measured by reading the degree of fluorescence color development with a Flexstation3 microplate reader. At this time, the excitation spectrum was 300 nm and the emission spectrum was 360 nm.
10752	1	In Vitro pAMPK1 Kinase Activation Assay	Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was used to determine phosphorylation of a SAMS peptide substrate. Recombinant AMPK &#945;1/&#946;1/&#947;1 complex was pre-activated by phosphorylation with CAMKK2 followed by incubated with compound for 15 minutes prior to the SAMS phosphorylation reaction. Activity curves and EC50 values were fitted by interpolation to an ATP:ADP standard curve as indicated by the ADP-Glo manufacturer using Prism software.
10768	1	Solid Phase Integrin alphav/beta6 Binding Assay (B-1)	Microplates were coated with recombinant human integrin &#945;v&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). The plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by four-parameter logistic regression.
10768	2	Solid Phase Integrin alphav/beta6 Binding Assay (B-2)	A third series of exemplary compounds was selected for testing in the solid phase integrin &#945;v&#946;6 binding assay. The compounds tested were compound samples prepared according to procedures described in the Synthetic Examples section, with the stereochemical purity as indicated in the Examples. As in Example B1, microplates were coated with recombinant human integrin &#945;v&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). The plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
10769	1	Proximity Ligation Assay	Isolated cardiomyocytes were washed twice in PBS at room temperature, transferred to 4% paraformaldehyde (PFA) and gently shaken for 30 min, then washed twice again in PBS. The cardiomyocyte suspension was next transferred to 0.8 cm2 wells, each coated with 8 &#956;g laminin (Invitrogen), and incubated at 37° C. for 2 h. PBS was replaced by 0.1% Triton X100 in PBS, and incubated for 10 min at 37° C. Proximity ligation assay was then performed with the Duolink II proprietary system (Olink Bioscience, Uppsala, Sweden), according to the manufacturer&#39;s protocol (Soderberg, O., et al., Direct observation of individual endogenous protein complexes in situ by proximity ligation. Nat Methods, 2006. 3(12): 995-1000).Cardiomyocytes were scanned on a Zeiss LSM 710 confocal microscope (excitation 543 nm HeNe laser, through a MBS 488/543 dichroic mirror, emission collected at 565-589 nm). ImageJ 1.44p software (http://imagej.nih.gov/ij) was used for analysis of single-cell intracellular fluorescence intensity by measuring whole cell mean gray value. Results were corrected for background fluorescence signal.
10770	1	Dual-Glo Luciferase Assay	The Dual-Glo Luciferase Reagent was prepared by transferring the contents of one bottle of Dual-Glo Luciferase Buffer to one bottle of Dual-Glo Luciferase Substrate to create the Dual-Glo Luciferase Reagent. Mixing was performed by inversion until the substrate was thoroughly dissolved. After mixing, the reagent was aliquoted into 15 ml tubes. In the afternoon (24 hrs post compound treatment), the DMEM+medium in the 384 well plates were aspirated by Microplate Washer.Measuring firefly luciferase activity: 20 ul Dual-Glo Luciferase Reagent was added to the 384-well plates. The plates were protected from light to prevent interference with the assay. The plates were shaken for 1 min followed centrifuging plates at 1000 rpm for 30 seconds. After waiting at least 10 minutes, the firefly luminescence was measured by Envision.Measuring renilla luciferase activity: 20 ul Stop-Glo Reagent was added to the 384-well plates. The plates were shaken for 1 min and then centrifuged at 1000 rpm for 30 seconds. After waiting at least 10 minutes, the renilla luminescence was measured by Envision.Compound IC50 and maximum inhibition on the firefly luciferase and renilla luciferase activities were reported separately.
10771	1	VEGF ELISA Assay	The ability of the disclosed compounds to inhibit HIF-2&#945; was measured by determining VEGF expression in 786-O cells. About 7500 786-O cells were seeded into each well of a 96-well, white, clear bottom plate (07-200-566, Fisher Scientific) with 200 ul growth medium. Four hours later, compounds were dispensed into wells by Tecan D300e digital dispenser with starting concentration of 10 uM and log of dilution down to 1 nM as final concentration. Each concentration of treatment was performed in duplicate. About 20 hours later, medium was removed and fresh medium was added, followed by compounds treatment as described above. 24 hours later, cell culture medium was collected to determine VEGF concentration using an ELISA kit (R&D systems, cat #DVE00) following the manufacturer&#39;s instruction.The EC50 is calculated by GraphPad Prism using the dose-response-inhibition (four parameter) equation. The plate with cells was then subjected to CellTiter-Glo luminescence cell viability assay (Promega) to determine the effect of these compounds on cell numbers after the above treatment.
10772	1	Biochemical Assay	The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the polarization signal observed upon binding of the probe to PARP-1, -2 and -3. The ability of the probe of formula (IP) to bind full-length PARP-1, -2 and -3 has been previously reported (WO 2010/133647). The assay has been validated as described in WO 2010/133647.Affinity binding constants (Kd) and DC50s (the compound concentration at which the polarization signal is diminished by 50% compared to untreated controls) of the test compounds can be determined as explained in WO 2010133647.
10773	1	[35S]-GTPgammaS binding assay for determining inverse agonist pharmacological parameters of histamine H3 receptor ligands	Experimental procedure: 1) Membrane preparation for HEK293/Ga15/hH3R; 2) Standard binding assay. Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;S binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For inverse agonist mode: Add 20 &#956;L testing compound (10 points, 3-fold dilution from 1 &#956;M), 20 uL buffer, 140 &#956;L membrane solution (GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate, and preincubate at room temperature for 30 min. Add 20 &#956;L [35S]-GTP&#947;S (final 200 pM) and incubate at room temperature for 60 min. Filter the assay plate on GF/C (non-PEI coated) plate to stop the assay. Dry GF/C plate for 1 h. Add 50 &#956;L scintillation fluid and count on the MicroBeta. Data Analysis: The CPM values were calculated into % of inhibition with the following formula: For inverse agonist mode: % of inhibition=(DMSO control CPM&#8722;Compound CPM)/(DMSO control CPM&#8722;GTP control CPM)×100. 
10773	2	[35S]-GTPgammaS binding assay for determining antagonist pharmacological parameters of histamine H3 receptor ligands	Experimental procedure: 1) Membrane preparation for HEK293/Ga15/hH3R; 2) Standard binding assay. Briefly, for membrane parathion, HEK293/Ga15/hH3R cells were grown to confluence, harvested and the cell pellets were suspended in TEL buffer (50 mM Tris-HCl buffer, 1 mM EGTA, 0.1 mM PMSF). Homogenate and centrifuge at 1,000 g for 10 min. Centrifuge the supernatant at 46,000 g for 30 min. Suspend the membrane pellet in 50 mM Tris with 0.32 M sucrose, pH 7.0. Aliquot at 1 mg protein/mL. Keep frozen and store at &#8722;80° C. until use. All compounds were prepared by dissolving in DMSO to make 10 mM stock. The 10 mM stock was used as top concentration (1 &#956;M) to carry out 10-points, 3-fold dilution scheme using DMSO in a 96-well plate to make the compound dose plate. H3R GTP&#947;S binding assay was performed as followings: thaw the membrane at 37° C., chill on ice, add GDP and the membrane to assay buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM MgCl2, pH 7.4, and 0.2%, BSA). Stay on ice for 20 min. For antagonist mode: Add 20 &#956;L agonist (R-alpha-methylhistamine, final concentration 1 &#956;M), 20 &#956;L testing compound (final top concentration 1 &#956;M, 3-fold dilution, 10 points), 20 &#956;L [35S]-GTP&#947;S (final 200 pM), 140 &#956;L membrane solution (total 200 &#956;L, GDP 10 &#956;M, membrane protein 20 &#956;g/well) to the assay plate. Incubate at room temperature for 60 min. Data Analysis: The CPM values were calculated into % of inhibition with the following formula: For antagonist mode: % of inhibition=(R-alpha-methyl-histamine control CPM&#8722;Compound CPM)/(R-alpha-methyl-histamine control CPM&#8722;DMSO control CPM)×100. 
10774	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;c Band AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Bue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
10775	1	Anti-HIV-1 Activity Test	C8166 cells infected with HIV-1 were used for determining the anti-HIV biological activity at the cellular level. The specific method was described below.Cytotoxicity experiment: The toxicity of the compounds on C8166 cells was determined by MTT method. In a 96-well cell culture plate, the compounds were subjected to 5-fold serial dilution and 100 &#956;L of C8166 cell suspension (4×105/mL) was added into each well. Three replicate wells were set for each concentration. At the same time, a cell control group without drugs and drug control groups with Zidovudine (AZT) or Nevirapine (NVP) were set. The cells were incubated at 37° C. in a 5% CO2 incubator for three days, followed by the addition of MTT solution into each well, and then the cells were incubated at 37° C. for 4 hours. 15% SDS-50% DMF was added to each well and the cells were incubated at 37° C. in a 5% CO2 incubator overnight. After mixing evenly, the OD values were measured by BIO-TEK ELx800 ELISA instrument (determination wavelength: 570 nm; reference wavelength: 630 nm). The dose-response curve was graphed according to the experimental results, and the CC50 was calculated (the concentrations of the compounds required to produce toxicity on 50% cells).Syncytium inhibition experiment: 100 &#956;L of C8166 cell suspension (4×105/mL) was inoculated into each well of a 96-well cell culture plate containing 5-fold serial dilutions of the compounds, followed by addition of HIV-1IIIB diluted supernatant (MOI=0.04). Three replicate wells were set for each serial concentration. At the same time, negative control wells of HIV-1IIIB infection without compounds and positive control wells with Zidovudine (AZT) or Nevirapine (NVP) were set. The cells were incubated at 37° C. in a 5% CO2 incubator for three days. The number of the syncytia was counted in five non-overlapping fields of view by using an inverted microscope (100×). The dose-response curves were graphed according to the experimental results, and the 50% effective concentrations of the compounds for inhibiting the virus (EC50, 50% effective concentration) were calculated according to Reed & Muench method. Calculation formula: cytopathic inhibition rate (%)=(1&#8722;number of syncytia in experimental wells/number of syncytia in control well)×100%.
10776	1	JAK1, JAK2, JAK3, and Tyk-2 Enzyme Activity Assays	The activity of JAK3 (a.a. 781-1124, ThermoFisher) was quantified by measuring the phosphorylation of SRCtide (FAM-GEEPLYWSFPAKKK-NH2). Kinase reactions were run in a 384-well Greiner plate with 2% final DMSO concentration under the buffer conditions of 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, and 0.0005% Tween-20. The kinase reaction components were 2.5 nM JAK3, 1 &#956;M SRCtide peptide and 1 uM ATP. Examples were tested in dose-response starting at 2 M (11 concentrations, 3-fold serial dilution, duplicate reactions). The reactions were incubated at room temperature for 40 minutes, then stopped by adding a 1:1 volume of 30 mM EDTA in 20 mM HEPES, pH 7.5 (15 mM EDTA final). After the reaction was stopped, the phosphorylated and unphosphorylated peptides were separated and quantified using a Caliper LC3000/EZ-Reader system and HTS Well Analyzer Software (Caliper, A PerkinElmer Company, Hopkinton, Mass.). GraFit (Erithacus Software Ltd., Horley, U.K.) was used to calculate inhibitor potency by fitting dose-response data to the 4-parameter logistical IC50 equation.The inhibitory potency of candidate compounds of JAK1, JAK2, and Tyk-2 was done at Thermo Fisher Scientific in their Selectscreen using a Z-lyte assay. Following are the assay details for each enzyme.JAK: The 2×JAK-enzyme/Tyr 06 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L of the Kinase Reaction consists of 21.2-91.5 ng JAK and 2 M Tyr 06 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the one hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent is added.JAK2: The 2×JAK2/Tyr 06 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consists of 0.12-0.5 ng JAK2 and 2 M Tyr 06 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the one hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent A is added.TYK2: The 2×TYK2/Tyr 03 mixture is prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consists of 3.75-15 ng TYK2 and 2 M Tyr 03 in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the one hour KinaseReaction incubation, 5 &#956;L of a 1:4096 dilution of Development Reagent A is added.Data reduction for JAK1, JAK2 and TYK2 is done the same, independent of the enzyme run. In summary, background signal is defined in the absence of enzyme and uninhibited signal is defined in the presence of vehicle (2% DMSO) alone. Compounds were evaluated in an 11 point dose-response ranging from 20 mM to 0.34 nM. IC50 values of compounds are determined using a 4 parameter logistical fit of emission ratio as a function of the concentration of compound.
10777	1	Bcl-2/Bcl-X Fluorescence Polarization Assay	Compounds disclosed herein were tested for blocking of Bcl-2/Bcl-xl protein with its ligand in an assay based on fluorescence polarization methodology. Recombinant human 2.7 nM Bcl-2/1.3 nM Bcl-xl protein was pre-incubated with a serial dilution of compounds disclosed herein (maximum concentration is 1 &#956;M for Bcl-2 assay, and 10 &#956;M or 1 &#956;M for Bcl-xl assay, 3-fold serially diluted, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 ml potassium phosphate buffer, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.05% Tween-20, 0.01% BSA. Then the FITC labeled Bak peptide Ac-GQVGRQLAIIGDK (FITC)INR-amide (1 nM for Bcl-2, 0.82 nM for Bcl-xl) was added to plate and further incubated at room temperature for 0.5 h. The FP signals (485 nm-520 nm-520 nm) were read on BMG PHERAstar FS or BMG PHERAstar FSX instalment. The inhibition percentage of Bcl-2/Bcl-xl interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the FP signals. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software.
10777	2	 Bcl-2/Bcl-X TR-FRET Assay	Compounds disclosed herein were tested for blocking of Bcl-2/Bcl-X protein with its ligand in an assay based on Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) methodology. Recombinant human 0.05 nM Bcl-2/0.03 nM Bcl-X protein was pre-incubated with a serial dilution of compounds disclosed herein (maximum concentration is 0.1 &#956;M for Bcl-2 assay, and 10 &#956;M for Bcl-xl assay, 3-fold serially diluted, 10 points; or maximum concentration is 0.02 &#956;M for Bcl-2 assay, and 2 &#956;M for Bcl-xl assay, 3-fold serially diluted, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 mM potassium phosphate buffer, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.05% Tween-20, 0.01% BSA. Then the FITC labeled Bak peptide Ac-GQVGRQLAIIGDK(FITC)INR-amide (0.5 nM for Bcl-2, 0.3 nM for Bcl-xl) and MAb Anti 6His Tb cryptate Gold were added to plate and further incubated at room temperature for 1 hour. The TR-FRET signals (337 nm-520 nm-490 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of Bcl-2/Bcl-X interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the TR-FRET signals. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software. To improve the assay sensitivity and test more potent compounds in the present application, the bcl-2 concentration was reduced in method B.
10777	3	Bcl-2-G101V Biochemical Assay 	Selected compounds disclosed herein were tested for blocking of Bcl-2-G101 protein with its ligand in an assay based on time-resolved fluorescence resonance energy transfer methodology. 0.05 nM of Recombinant human Bcl-2-G101V protein was pre-incubated with a serial dilution of compounds disclosed herein (maximum concentration is 10 &#956;M, 4-fold serially diluted, 10 points; or maximum concentration is 1 uM, 3-fold serially diluted, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 mM potassium phosphate buffer, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.05% Tween-20, 0.01% BSA. Then 5 nM of the FITC labeled Bak peptide Ac-GQVGRQLAIIGDK(FITC)INR-amide and Mab Anti-6His Tb cryptate Gold was added to plate and further incubated at room temperature for 1 hour. The TR-FRET signals (ex337 nm, em490 nm/520 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of Bcl-2-G101V interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 490 nm to that at 520 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software or Dotmatics.
10777	4	CYP 2C9 inhibition	The five isoform-selective probe substrate (in a cocktail manner) was used as a measure of activity for the individual cytochrome P450 (CYPs) in a pool of human liver microsomes, i.e., phenacetin for CYP1A2, diclofenac for CYP2C9, S-Mephenyloin for CYP2C19, dextromethorphan for CYP2D6, midazolam for CYP3A. Test compounds, at 7 concentration levels including zero, were incubated in human liver microsomes (HLM) together with the 5 probe substrate (in a cocktail manner). IC50 was determined by monitoring the reduction of the CYP activity as a function of test compound concentration and quantified by product formation using LC-MS/MS. Ketoconazole for CYP3A was included as quality control. All incubations were performed in singlet.
10778	1	LC-MS/MS-Based NSD2 Enzymatic Assay	This assay employed LC-MS/MS technology to monitor the SAH production from the NSD2 enzymatic reaction. The enzymatic reaction was performed in white proxiplate plus 384-well microplate (Perkin Elmer). The reaction mixture (10 &#956;L) were composed of 8 nM NSD2 [1-1365], 1 M SAM (USB, 10601) and 400 nM nucleosome (purified from mouse liver) in reaction buffer (20 mM Tris-HCl, pH at 8.0, 0.01% Tween 20, 10 mM MgCl2, 50 mM NaCl, 1 mM DTT, 1 mM TCEP (pH7.5)). After 90 min incubation at room temperature, 3 &#956;L quenching solution containing 2.5% TFA with 320 nM d4-SAH was added to stop the reaction.For the inhibition assay, compound solutions were transferred into the wells by Mosquito (TTP LabTech). The inhibition assays were carried out by preincubating various concentrations of the inhibitor with 5 uL reaction mixture containing 16 nM NSD2 [1-1365] and 2 uM SAM (USB, 10601) in reaction buffer. After 20 min preincubation, 5 uL solution containing 800 nM nucleosome (purified from mouse liver) in reaction buffer was added to initiate the reaction. The reaction was stopped by 3 &#956;L quenching solution containing 2.5% TFA with 320 nM d4-SAH after 90 min.The SAH production from the enzymatic assays were monitored by LC-MS/MS on an API 4000 triple quadrupole mass spec with Turbolon Spray (Applied Biosystem) coupled with Prominenece UFLC(Shimazu). Liquid chromatography was performed on a Chromolith FastGradient HPLC column (RP-18e, 25-2 mm, from Merck) at a flow rate of 0.8 ml/min. The column was connected directly to the turbo ion electrospray operating in the positive-ion mode. Mobile phase A is 0.1% FA and 2% methanol in water and mobile phase B is 0.1% FA in ACN. Injection volume was 3 &#956;l and the autosampler was kept at 4 degree. SAH and d4-SAH were simultaneously monitored. Data were acquired and processed by Analyst software.To quantify the formed SAH, d4-SAH was added as internal standard (IS). A series of SAH (Sigma, A9384) solution at varying concentration (1-500 nM in reaction buffer) was mixed with quenching solution mentioned above. Then LC-MS/MS was carried out on API 4000 LC/MS/MS system to detect both SAH and d4-SAH. The plot of SAH peak area/IS peak area vs SAH concentration was used to generate the normalization factor of SAH. The SAH production from real enzymatic reaction was derived from the standard curve of SAH. The down-limit of our system for the detection of SAH is around 1-2 nM, and the linear range can reach up to 500 nM.
10779	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue -cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37° C., 5% CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the % reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
10780	1	In Vitro Inhibitory Activity Against BTK(wt)/BTK(C481S) (Determination of IC50 Value)	The substrate solution was prepared by adding the substrate poly(Glu, Tyr) sodium salt (Sigma Aldrich, St. Louis, Mo.) to the substrate reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT and 1% DMSO) (final substrate concentration in the reaction solution was 0.2 &#956;M). Test compound was formulated into stock solutions at 10 mM concentration with 100% DMSO, and 3-fold serial dilution for 10 doses was performed in a 384-well cyclic olefin copolymer LDV microplate. BTK(wt) or BTK(C481S) kinase (recombinant human full-length protein, histidine tag, expressed in insect cells, Invitrogen, Carlsbad, Calif.) was added to the substrate solution and mixed gently (final BTK concentration in the reaction solution was 8 nM). Test compound in 100% DMSO was then added to the kinase reaction mixture by acoustic liquid transfer technology (Echo 550; nanoliter range) (Labcyte Inc, Sunnyvale, Calif.) and incubated for 20 min at room temperature. 33P-ATP (specific activity 10 &#956;Ci/&#956;L) was added to the reaction mixture to initiate the reaction, followed by incubation at room temperature for 2 h. A small portion of the reaction mixture was dropped onto P-81 ion exchange filter paper (Whatman). After washing the unbound phosphate from the filter paper with 0.75% phosphate buffer (three times) and drying, the remaining radioactivity on the filter paper was measured. The kinase activity was expressed as the percentage of the remaining kinase activity in the test sample to the kinase activity in the vehicle (dimethyl sulfoxide) blank control. IC50 values were calculated by curve fitting the data obtained using Prism (GraphPad Software).
10781	1	RSV-A Assay 	Hep-2 cells, (originally derived from tumors grown in irradiated-cortisonised weanling rats that had been injected with epidermoid carcinoma tissue from a 56 year old male&#39;s larynx, but later found to be indistinguishable from HeLa cells by PCR DNA analysis), were used for the culturing of genotype A, Long strain RSV. Flasks were inoculated with RSV and viral stocks were collected once cytopathic effect (CPE) was greater than 90%. Viral stocks in 25% sucrose media were snap frozen using liquid nitrogen to increase viral stability. Viral stock titers were quantified by tissue culture infectious dose 50% (TCID50) using 8,000 cells per well and 3-fold viral dilutions across a 96-well plate, cultured for 4 days. Viral stock titers were also quantified by a plaque forming unit assay, as described elsewhere.Following extensive parameter testing, the final assay is run as follows: Hep-2 cells are seeded into the inner 60 wells of a 96-well plate at 8,000 cells per well in a volume of 50 &#956;L using Growth Media (DMEM without phenol red, 1% L-Glut, 1% Penn/Strep, 1% nonessential amino acids, 10% heat-inactivated FBS). 2-fold serial dilutions of control and test compounds are added to the wells in duplicate in a total volume of 25 &#956;L. Viral stock is then added to the wells at a multiplicity of infection (MOI) of 0.1 in a volume of 25 &#956;L, bringing the total volume of each well to 100 &#956;L. The MOI is calculated using the PFU/mL, or TCID50 if unavailable. Each 96-well plate has a control column of 6 wells with cells and virus but no compound (negative control, max CPE), a column with cells but no compound or virus (positive control, minimum CPE), and a column with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 254, of growth media containing an equal quantity of sucrose as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer wells of the plate are filled with 125 &#956;L of moat media (DMEM, 1% Penn/Strep) to act as a thermal and evaporative moat around the test wells. Following a 5-day incubation period, the plates are read using ATPlite (50 uL added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates are read using the Envision luminometer.
10782	1	Biological Activity of Examples 1 to 30	The inhibitory effects of Examples 1 to 30 on the activity of Human Arginase 1 and Arginase 2 activity were quantified by measuring the formation of the thiol group from thioarginine using recombinant Arginase 1 or Arginase 2 produced from E. coli. The thiol group was detected with Ellman&#39;s reagent, 5,5&#8242;-dithiobis(2-nitrobenzoic acid) (DTNB). DTNB reacts with the thiol to give the mixed disulfide and 2-nitro-5-thiobenzoic acid (TNB) which is quantified by the absorbance of the anion (TNB2&#8722;) at 412 nm.The assays were run in clear 384 well plates (Greiner cat no: 781101). Various concentrations of Examples 1 to 30 in 300 nL DMSO were dispensed to assay plates using an Echo acoustic dispenser immediately followed by plate sealing and centrifugation. Two pre-mixes were prepared from reagents thawed immediately before addition to assay plates. Pre-mix one comprised human Arginase 1 or human Arginase 2, at a final concentration of 5 nM and 0.5 mM DTNB in assay buffer, 45 mM HEPES pH7.5, brij 35, 0.045% (w/v) and 100 &#956;M MnCl2. Pre-mix two comprised freshly thawed 0.5 mM thioarginine in assay buffer. Fifteen microlitres of pre-mix one was dispensed to assay plates containing Examples 1 to 30, centrifuged and incubated for 30 minutes at room temperature prior to adding fifteen microlitres of pre-mix two.Assay plates were centrifuged prior to reading absorbance at 412 nm in a Pherastar multi-mode plate reader to collect data at time point 0 (T0). The plates were incubated at room temperature for 60 min prior to reading again to collect data at time point 1 (T1). Data is derived by subtracting the A412 signal measured at T0 (time point 0) from that measured at T1 (time point 1). The data was transformed to % effect using the equation:Compound % effect=100*[(X&#8722;min)/(max&#8722;min)], where X represents the normalized value for the compound based on the Min (vehicle) and Max (reference compound) inhibition control. 
10783	1	Enzyme-Linked Immunosorbent Assay ELISA	Plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with PBS containing 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the samples were diluted to 1:5 in dilution medium in the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was added with PBS containing 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2N aqueous H2SO4) was added.
10784	1	EGLN-1 Activity Assay	The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-TOF MS-for assay details, see reference (Greis et. al., 2006). Recombinant human EGLN-1-179/426 is prepared as described above and in the Supplemental Data. Full-length recombinant human EGLN-3 is prepared in a similar way, however it is necessary to use the His-MBP-TVMVEGLN-3 fusion for the assay due to the instability of the cleaved protein. For both enzymes, the HIF-1&#945; peptide corresponding to residues 556-574 (DLDLEALAPYIPADDDFQL) (SEQ ID NO. 1) is used as substrate. The reaction is conducted in a total volume of 50 uL containing TrisCl (5 mM, pH 7.5), ascorbate (120 &#956;M), 2-oxoglutarate (3.2 &#956;M), HIF-1&#945; (8.6 &#956;M), and bovine serum albumin (0.01%). The enzyme, quantity predetermined to hydroxylate 20% of substrate in 20 minutes, is added to start the reaction. Where inhibitors are used, compounds are prepared in dimethyl sulfoxide at 10-fold final assay concentration. After 20 minutes at room temperature, the reaction is stopped by transferring 10 &#956;L of reaction mixture to 50 &#956;L of a mass spectrometry matrix solution (&#945;-cyano-4-hydroxycinnamic acid, 5 mg/mL in 50% acetonitrile/0.1% TFA, 5 mM NH4PO4). Two microliters of the mixture is spotted onto a MALDI-TOF MS target plate for analysis with an Applied Biosystems (Foster City, Calif.) 4700 Proteomics Analyzer MALDI-TOF MS equipped with a Nd:YAG laser (355 nm, 3 ns pulse width, 200 Hz repetition rate), Hydroxylated peptide product is identified from substrate by the gain of 16 Da. Data defined as percent conversion of substrate to product is analyzed in GraphPad Prism 4 to calculate IC50 values.
10784	2	VEGF ELISA Assay	HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 ceils per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 &#956;M) in Qpti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.). Optical density measurements at 450 nm are recorded using the Spectra Max 250 (Molecular Devices, Sunnyvale, Calif.). Data defined as % of DFO stimulation is used to calculate EC50 values with GraphPad Prism 4 software (San Diego, Calif.).
10785	1	Pharmacological Activity	Ki determinations were generously provided by the National Institute of Mental Health&#39;s Psychoactive Drug Screening Program (PDSP).
10786	1	Biochemical Assay	Citrullination assay was detected via ammonia release. PAD4 was diluted to 120 nM in assay buffer (100 mM HEPES, 50 mM NaCl, 2 mM DDT, 0.6 mg/mL BSA, pH 7.4) added to wells containing various concentration of compound or DMSO vehicle (1% final) in black 384 well plate. Following a 60-min preincubation at RT, the reaction was initiated by the addition of substrate (1.5 mM BAEE in 200 mM HEPES, 50 mM NaCl, 350 uM CaCl2, 2 mM, pH 7.4). The reaction was stopped after 60 min by addition of stop/detection buffer containing 50 mM EDTA, 2.6 mM of o-phthaladehyde and 2.6 mM DTT. Assay was incubated at RT for 90 min before measuring fluorescence&#39;s (&#955;ex 405/&#955;em 460 nm) on Tecan reader.
10786	2	FP Binding Assay	Binding of compounds with PAD4 was detected by FP assay. PAD4 was diluted to 1 uM in assay buffer (100 mM HEPES, 50 mM NaCl, 1 mM DTT, 5% Glycerol and 1 mM CHAPS) and added to wells containing various concentration of compounds or DMSO vehicle (1%) in a 384 well black plate. 10 nM of fluorescein labelled probe (JPAD-00085) was added to the plate. Assay plate was incubated for 60 minutes at RT before measuring FP reading at FP module (&#955;ex 485/&#955;em 535 nm) on Pherastar. IC50 was calculated using XL-fit software model 205.
10787	1	PDE3A Enzyme Inhibition	The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determination of the in vitro effect of example compounds on the PDE3A reactions 2 &#956;l of the respective example compound solution in DMSO (serial dilutions) were placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 &#956;l of a dilution of PDE3A cell extract from Sf9 cells overexpressing human full length PDE3A (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3A cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:5000). The reaction was started by addition of 50 &#956;l (0.025 &#956;Ci) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H]adenosine 3&#8242;, 5&#8242;-cyclic phosphate (1 &#956;Ci/&#956;l; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 &#956;l of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). IC50 values were determined from sigmoidal curves by plotting percentage PDE3A activity vs log compound concentration.
10787	2	PDE3B Enzyme Inhibition	The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determination of the in vitro effect of example compounds on the PDE3B reactions 2 &#956;l of the respective example compound solution in DMSO (serial dilutions) were placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 &#956;l of a dilution of PDE3B cell extract from Sf9 cells overexpressing human full length PDE3B (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3B cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:6000). The reaction was started by addition of 50 &#956;l (0.025 &#956;Ci) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H]adenosine 3&#8242;, 5&#8242;-cyclic phosphate (1 &#956;Ci/&#956;l; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 &#956;l of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). IC50 values were determined from sigmoidal curves by plotting percentage PDE3B activity vs log compound concentration.
10788	1	LanthaScreen Kinase Activity Assay	The assay was carried out under the following protocol conditions: 1 mM compound in DMSO was serially diluted 1:3, 11 points in DMSO with a Biomek FX and 0.1 &#956;L of the diluted compound was subsequently stamped into the assay plate (384-well format Lumitrac 200, Greiner, 781075) with an Echo Labcyte such that the final compound concentration in the assay was 10 &#956;M to 169 &#956;M. Subsequently, 5 &#956;L of 2× kinase solution (2.9 nM final concentration) was added to the assay plate in assay buffer composed of 50 mM Tris pH 8.5 (Sigma, T6791), 5 mM MgCl2 (Fluka, 63020), 1 mM EGTA (Sigma, E3889), 0.01% BRIJ-35 (Sigma, P1254) and 2 mM DTT. The reaction was started by addition of 2×ATP/LRRKtide solution in assay buffer such that the final concentration was 400 nM LRRKtide and 25 &#956;M ATP. After 60 min incubation at room temperature, the reaction was stopped by addition of 10 &#956;L of 2× stop solution containing a final concentration of 2 nM anti-pERM antibody and 10 mM EDTA. After a 30 min incubation at RT, the TR-FRET signal was measured on a Wallac 2104 EnVision multilabel reader at an excitation wavelength of 340 nm and reading emission at 520 nm and 495 nm. The ratio of the 520 nm and 495 nm emission was used to analyze the data.
10789	1	Kinase Assay	In some assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated withbiotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
10790	1	Biochemical LanthaScreen Eu Kinase Binding Assay	MST1 and MST2 biochemical LanthaScreen Eu Kinase Binding Assay was based on the binding and displacement of kinase tracer to the kinase of interest. Compounds in 1000×DMSO stock solution was dispensed using automated dispensing system (Labcyte) to 384 well Corning Microplate at 15 nL, 5 uL of Kinase buffer A was added to each well. Plates were shaken and incubated for 1 min to ensure well dissolution of compounds. Kinase/Antibody mixture was added at a final concentration of 5 nM and 2 nM and kinase tracer 222 solution at a final concentration of 100 nM in a total volume of 20 uL. Plates were incubated for 1.5 hrs in dark at room temperature and assay plates were scanned on Envision plate reader with excitation: 340 nM and kinase Tracer Emission at 665 nM.
10791	1	Biochemical Assay	Biochemical Assay: The biochemical assay is in a AlphaScreen format. The kinase reaction is based on the IRAK-4 phosphorylation of a biotin labeled peptide. The phosphopeptide is incubated with anti-phosphothreonine antibody as well as streptavidin- and protein A-coated beads. Binding of the protein-A coated beads to the antibody and the streptavidin beads to the peptide, leads to an energy transfer from one bead to the other, ultimately producing a luminescent/fluorescent signal.Generally, the kinase reaction is carried out at 1 nM IRAK4, 1.6 &#956;M peptide, 1 mM ATP in reaction buffer 50 mM Hepes, 60 mM NaCl, 5 mM MgCl2, 0.25 mM MnCl2, 2 mM DTT, 0.01% BSA, 0.01% Tween-20) for 3.5 h at RT.
10792	1	ROCK Kinase Inhibition Assays	All compounds were initially prepared as 10 mM stocks in anhydrous dimethylsulfoxide (DMSO). A 20 &#956;l aliquot of the 10 mM solutions was transferred to individual wells in column 1 of a 96-well polypropylene microtiter plate (Corning #3363) and diluted with DMSO to give a final compound concentration of 4 mM. Test compounds were then serially diluted 1:5 in DMSO for an 11-point concentration response and further diluted in the assay buffer bringing all compound concentrations to a final range of 100 &#956;M to 10 pM in 2.5% DMSO. The assay was performed in white 96-well, flat-bottom, half-area, non-binding assay plate (Corning #3642) in assay buffer consisting of 20 mM HEPES (pH 7.5), 10 mM MgCl2*6H2O, 100 &#956;M sodium orthovanadate, 0.05% CHAPS and 0.1% bovine serum albumin. A 10 &#956;L aliquot of compound from each well of the intermediate dilution plate and 20 &#956;L of a 2× substrate/enzyme solution containing acceptor substrate (800 nM RSK2 peptide KRRRLSSLRA (SEQ ID NO: 1)), ROCK2 enzyme (10 nM), or ROCK1 enzyme, and 1,4-Dithiothreitol (DTT, 2 &#956;M) were added to all wells. The reaction was initiated by the addition of 10 &#956;L of 4× stock solution ATP (2 &#8741;M). Reactions were thoroughly mixed manually, covered and allowed to incubate at room temperature for 75 min. Protein kinase activity was quantitated using Promega&#39;s KINASE-GLO luminescent Kinase Assay Kit according to the manufacturer&#39;s directions. ATP concentrations remaining in Test wells following the termination of the enzymatic reaction were compared against control wells containing equivalent amounts of DMSO containing no inhibitor (CTRL). ATP concentrations in both Test wells and CTRL wells were normalized against background (BKG) ATP concentrations in wells containing concentrations of inhibitor that completely inhibited the protein kinase under investigation (i.e. a concentration that prevented any consumption of ATP over the course of the incubation). Percent of Control (POC) values were determined for each concentration of compound tested according to the equation: POC=((Test well value&#8722;BKG)/(CTRL&#8722;BKG))*100IC50 values were calculated using the following 4-parameter logistic curve-fitting algorithm: f(x)=(A+((B&#8722;A)/(1+((x/C){circumflex over (&#8195;)}D))))IC50 values were converted to Ki values using the Cheng-Prusoff Equation: Ki=IC50/(1+([ATP]/Km ATP])).
10792	2	JAK Kinase Assays	Compounds were prepared in the exact same manner as described in the ROCK Kinase Assay with the exception to the substrate and enzyme. The JAK 2× substrate/enzyme solution consisted of acceptor substrate (800 nM Abl peptide EAIYAAPFAKKK (SEQ ID NO: 2)), JAK2 or JAK3 enzyme (10 nM) and DTT (2 &#956;M). All other steps and solutions remain identical to the ROCK Kinase Assay above. 
10793	1	HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays were conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) was incubated with the compounds of the Examples (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions were stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals were read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data was analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound.
10794	1	High ATP Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of TBK1 in aqueous assay buffer [50 mM HEPES pH 7.0, 10 mM MgCl2, 1.0 mM dithiothreitol, 0.05% (w/v) bovine serum albumine, 0.01% (v/v) Nonidet-P40 (Sigma), protease inhibitor mixture ( Complete w/o EDTA from Roche, 1 tablet per 5 mL)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 1.67 mM=>final conc. in the 5 &#956;L assay volume is 1 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of TBK1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.002-0.004 pg/mL. The reaction was stopped by the addition of 3 &#956;L of a solution of TR-FRET detection reagents (0.33 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France], 2.5 nM anti-phosho-Serine antibody [Merck Millipore, STK antibody , cat. #35-002] and 1.25 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (167 mM EDTA, 0.13% (w/v) bovine serum albumin in 100 mM HEPES/NaOH pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents.
10795	1	In Vitro Activity Assay	JAK1 (h) was incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 &#956;M MGEEPLYWSFPAKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were formulated as needed). Mg/ATP mixture was added to initiate the reaction. After incubating at room temperature for 40 minutes, the reaction mixture was added with 0.5% phosphoric acid to stop the reaction. Then 10 &#956;L reaction solution was spotted on a P30 filter pad and washed with 0.425% phosphoric acid three times and methanol once over 4 minutes, dried, and counted scintillation.
10795	2	In Vitro Activity Assay	JAK2 (h) and 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were formulated as needed) were incubated together. Mg/ATP mixture was added to initiate the reaction. After incubating at room temperature for 40 minutes, the reaction mixture was added with 0.5% phosphoric acid to stop the reaction. Then 10 L reaction solution was spotted on a P30 filter pad and washed with 0.425% phosphoric acid three times and methanol once over 4 minutes, dried, and counted scintillation.
10795	3	In Vitro Activity Assay	JAK3 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 &#956;M GGEEEEYFELVKKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were formulated as needed). Mg/ATP mixture was added to initiate the reaction. After incubating at room temperature for 40 minutes, the reaction mixture was added with 0.5% phosphoric acid to stop the reaction. Then 10 &#956;L the reaction solution was spotted on a P30 filter pad and washed with 0.425% phosphoric acid three times and methanol once over 4 minutes, dried, and counted scintillation
10795	4	In Vitro Activity Assay	TYK2 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were formulated as needed). Mg/ATP mixture was added to initiate the reaction. After incubating at room temperature for 40 minutes, the reaction mixture was added with 0.5% phosphoric acid to stop the reaction. Then 10 &#956;L reaction was spotted on a P30 filter pad and washed with 0.425% phosphoric acid three times and methanol once over 4 minutes, dried, and counted scintillation.
10796	1	Fluorescence Based Assay	The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently. Figuera-Losada, et al. Lysate of cells expressing recombinant nSMase2 is used to catalyze the hydrolysis of sphingomyelin (SM) to ceramide and phosphorylcholine. Phosphorylcholine undergoes dephosphorylation in a reaction catalyzed by alkaline phosphatase (4 U/mL) to produce choline which in turn is oxidized by choline oxidase (0.1 U/mL) to betaine and hydrogen peroxide (H2O2). Hydrogen peroxide is made to react with Amplex red (50 &#956;M) in the presence of horseradish peroxidase (HRP, 1 U/mL) to generate the fluorescent molecule resorufin. Generation of fluorescence is monitored by measuring relative florescence units (RFU) with excitation at 530 nm and emission at 590 nm. Extent of fluorescence is directly proportional to the extent of SM hydrolysis. Substrate stock solution is prepared in 2% Triton X-100 and sonicated for 1 min. Reactions are carried out for 1 h at 37° C. in 100 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.2% Triton X-100. This assay has been optimized in 384-well format (50 &#956;L total volume per well) under conditions where nSMase2-catalyzed hydrolysis of SM is linear with respect to nSMase2 concentration, time of incubation and SM concentration (FIGS. 3A-3C). The assay has high reliability (Z&#8242;=0.8-0.9). It is used for compound screening, IC50 determinations and mode of inhibition studies
10797	1	Biochemical Assay	The activity of the inhibitor compounds against DDR1 and DDR2 was tested using KinaseProfiler (Eurofins). Human DDR1/DDR2 kinase was incubated with 8 mM MOPS buffer (pH=7.0), 0.2 mM EDTA, 250 &#956;M IGF 1Rtide protein kinase substrate (e.g., derived from human IRS-1, and is a substrate for TRK1, JAK2, and RET Kinases enzolifesciences.com/BML-P257/igf-1rtide/), 10 mM Magnesium acetate/Manganese chloride, respectively, and [&#947;-33P]-ATP. The enzymatic reaction processed in the presence of Mg2+ cations and ATP at room temperature for 40 minutes and terminated by addition of phosphoric acid. The reaction mixture (10 &#956;L) was spotted onto a P30 filtermat and washed four times using 0.425% phosphoric acid and once with methanol. All the compounds were prepared in 100% DMSO. Staurosporine was used as a reference inhibitor and was added to each plate at an estimated concentration resulted in complete inhibition. The results for some of the compounds are listed in Table 1, which shows the ability to inhibit DDR1 and DDR2. As such, these compounds be used as inhibitors of the discoidin domain receptor family, such as for DDR1 and DDR2. However, these compounds may also inhibit other DDR family receptors
10798	1	Inhibitory Activity Assay of BRD4 Small Molecule Compounds	AlphaScreen kit (Perkin Elmer) was used to detect effect of the compounds on binding of BRD4 bromodomain to acetylated histone H4 polypeptide. The bromodomain BRD4_BD1 (49-170) protein constructed by recombination (Org. Biomol. Chem., 2017, 15, 9352-9361) has a purity greater than 95%, and contains hexahistine tag, namely (His)6tag (hereinafter referred to as (His)6tag), at the N-terminus of the amino acid sequence thereof. Each of fusion proteins containing (His)6tag can be recognized and bound by Ni2+. The acetylated histone H4 polypeptide was provided by Suzhou Qiangyao Biological Technology Co., Ltd, and the sequence was N-C: SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac) RHRKVGG-K (biotin), in which the lysine at positions 5, 8, 12 and 16 was acetylated, and the C-terminus of polypeptide was marked with biotin 5-(2-oxohexahydro-H-thieno[3,4-d]imidazole-4-yl)pentanoic acid, and the purity is greater than 95%. Donor microbeads and acceptor microbeads were purchased from Perkin Elmer (AlphaScreen Histidine Detection Kit (Nickle Chelate) 6760619M Lot: 2236078). The donor microbeads were coated with streptavidin and can bind to biotinylated acetylated H4 polypeptide. The acceptor microbeads were coated with Ni2+ ions and can bind to the BD1 protein with (His)6tag. When the BD1 protein recognized the acetylated H4 polypeptide, the donor microbeads and the acceptor microbeads can be brought closer to a certain distance. Within this range, the donor microbeads can produce singlet oxygen after being irradiated with a 680 nm excitation light, and transfer the singlet oxygen to the acceptor microbeads. After a series of cascade chemical reactions, the acceptor microbeads will generate an emission wave of 520-620 nm, which in turn can be detected a signal. In this experiment, the test system was 20 &#956;L, and the compound needs to be diluted in buffer 1 (20 mM HEPES pH 7.4, 150 mM NaCl, 1 mM dithiothreitol). First, a solution of 20 mM compound was consecutively diluted twice, each in 10 times, totally in 100 times to a concentration of 200 &#956;M. Then the solution of 200 &#956;M compound was serially diluted in three times in the buffer 1 containing 1/100 DMSO to obtain a 8× working solution of a compound dilution series with a compound concentration of 200 &#956;M to 10 nM (final concentrations: 25.0 &#956;M, 8.33 &#956;M, 2.77 &#956;M, 0.926 &#956;M, 0.309 &#956;M, 0.103 &#956;M, 0.0343 &#956;M, 0.0114 &#956;M, 0.00381 &#956;M, 0.00127 &#956;M). The positive compound used in the test was JQ (Nature 2010, 468, 1067-1073), which was purchased from Sigma. 2.5 &#956;L of the compound solution was added to a white 384-well plate (OptiPlate-384, PerkinElmer 6007299). The recombinant BD1 protein solution and the acetylated histone H4 polypeptide were diluted in the buffer 2 (20 mM HEPES pH 7.4, 150 mM NaCl, 0.01% Triton X-100, 0.1% bovine serum protein (w/v, Sigma), 1 mM dithiothreitol) to 100 nM and 100 nM respectively, to obtain a 8×BD1 protein working solution and a 4× acetylated histone H4 polypeptide working solution. The donor microbeads and the acceptor microbeads are diluted together in the buffer 2, both in the ratio of 1:100, to obtain a 2× microbead mixed working solution. The plate was added with 2.5 &#956;L of BD1 protein working solution and incubated with the compound for 20 min at room temperature, and then added with 5 &#956;L of acetylated histone H4 polypeptide working solution and incubated at room temperature for 5 min, and finally added with 10 &#956;L of microbead mixed working solution and incubated at room temperature for 60 min. Then the signals were read on an EnVision microplate reader (Perkin Elmer) (excitation wavelength was 680 nM, and detection wavelength was 520-620 nM). IC50 values of the compounds at different concentrations for inhibiting the binding of BD1 protein to acetylated H4 polypeptide were calculated by fitting using GraphPad Prism 5.0 software.
13293	1	In Vitro Enzyme Inhibition Assay - LSD1	The effect of the compounds on LSD1 enzyme activity was examined using the HTRF technique to assess the level of inhibition. Initially, a master solution of 90 μM test compound (dissolved in DMSO) was prepared and sequentially diluted with DMSO in a 5-fold concentration gradient to yield a total of 9 concentrations of the compound working solution 1 (90×). Subsequently these 9 concentrations of working solution 1 were sequentially diluted by a 30-fold concentration gradient, i.e., 2 μL of working solution 1 was aspirated and added to 58 μL of Buffer, mixed on a vortex mixer with sufficient shaking to yield 9 concentrations of the screening test compound working solution 2 (3×). In a 384-well shallow white plate, 2 μL of the compound working solution 2 (3×) was added to each well, followed by the addition of 2 μL of a 6×LSD1 (Activemotif, 31426) and 6×FAD (Sigma, F8384) pre-mixed (1:1) solution. The mixture was incubated at room temperature for 15 minutes. Then 2 μL of the 3×H3K4mel (Anaspec, AS-64355-025) substrate solution was added to each well, mixed evenly, and incubated for 60 minutes. Afterward, 2 μL of a termination solution (containing 5.4 mM 2-PCPA) was added to each well, mixed evenly, and incubated for another 15 minutes. Finally 4 μL of a pre-mixed antibody solution of Eu-anti H3K4 (PerkinElmer, TRF0404-D) and allophycocyanin (Prozyme, PJ27S) (1:1) was added to each well, mixed evenly, and incubated for 60 minutes. The 384-well plate was then read on a multifunctional microplate reader, with the excitation wavelength set to 337 nm. Readings were recorded at 620 nm and 665 nm. The data results were presented as the ratio of the 665 nm signal value to the 620 nm signal value in each well, calculated using the formula: Ratio=104×665 nm signal value/620 nm signal value.
13293	2	In Vitro Enzyme Inhibition Assay - HDAC	The effect of the compound on the enzymatic activity of pan-HDAC and two isoforms (HDAC1 and HDAC8) was examined using the HDAC-Glo I/II Assay and Screening System assay to assess the level of inhibition of HDAC protease activity and selectivity in each isoform. The proteins and detection reagents were from the HDAC-Glo™ I/II Assay and Screening System (Promega). A 1 mM stock solution of the compound was prepared in DMSO and diluted in a 5-fold gradient to create a series of 8 concentrations, and a specific volume of the highest concentration was diluted 25 times with HDAC Buffer to obtain 4× working solution of the compound. In a 384-well plate, 5 μL of the 4×HDAC enzyme solution and 5 μL of the test compound (4×) were sequentially added to each well, mixed evenly, and incubated at room temperature for 30 minutes. Subsequently 10 μL of 2× Developer reagent was added to each well, mixed evenly, and incubated at room temperature for 15-45 minutes. The 384-well plate was then read on a multifunctional microplate reader, with the Luminescence channel selected to record Luminescence values (RLU).
10800	1	Radioligand Binding Assay	Table 2: i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2 &#8194;4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followed by 0.2 &#956;M sterile filtrationii. Preparation of 8 doses of reference and test compounds starting from 10 mM stock solution as requested by 5-fold serial dilutions with 100%;iii. Prepare (v/v) DMSO: a. Add 50 &#956;l/well of 0.5% (v/v) PEI to UniFilter-96 GF/B plates. Seal the plates and incubate at 4° C. for 3 hrs; b. After incubation, wash the plates 3 times with ice-cold wash buffer (50 mM Tris, pH7.4);iv. Preparation of assay plates: a. Dilute cell membrane with assay buffer and add 330 &#956;l/well to 96 round deep well plates to reach a concentration of 20 &#956;g/well; b. Prepare 8 concentrations of reference or exemplary compounds of the application and add 110 &#956;l/well to 96 round deep well plates; c. Dilute [3H]-ketanserin with assay buffer to 5 nM (5× final concentration) and add 110 &#956;l/well to 96 round deep well plates.v. Centrifuge the plate at 1000 rpm for 30 secs and then agitate at 600 rpm, R.T. for 5 min.vi. Seal the plates and incubate the plate at 27° C. for 90 min.vii. Stop the incubation by vacuum filtration onto GF/B filter plates followed by 4 times washing with ice-cold wash buffer (50 mM Tris, pH7.4).viii. Dry the plates at 37° C. for 45 min.ix. Seal the filter plates and add 40 &#956;l/well of scintillation cocktail.x. Read the plate by using a Microbeta2 microplate counter.
10801	1	Enzyme Activity Assay	The purpose of this test is to test the in vitro inhibitory activities of the compounds against LSD1. The enzyme used in this experiment was human LSD1, and the standard substrate was histone H3(1-21)K4me2 peptide (10 &#956;M). HCI-2509 (SP2509) was used as reference compound, and the fluorescence coupling enzyme assay was employed. The production of FAD-dependent H2O2 as a result of demethylase activity of LSD1 was measured by coupling with HRP and Amplex Red. Compounds as well as control compound HCl-2509 were tested in 10-dose IC50 mode with a 3-fold serial dilution in duplicate starting at 10 &#956;m. All compounds were pre-incubated 30 mins with enzyme before added substrate to start reaction. Fluorescence measurement: Ex/Em=535/590 by EnVision.
10802	1	PI3K&#948; Scintillation Proximity Assay	The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 0.5%. The PI3K assays were carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 20 &#956;M ATP, 0.2 &#956;Ci [&#947;-33P] ATP, 4 nM PI3K&#948;. Reactions were incubated for 210 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 150 mM potassium phosphate pH 8.0, 20% glycerol. 25 mM EDTA, 400 M ATP. The final concentration of SPA beads was 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1800 rpm for 10 minutes, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer). 
10802	2	PI3K Enzyme Assay	Materials: Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms &#945;, &#946;, &#948; and &#947; are purchased from Millipore (Bedford, Mass.). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS are purchased from Sigma-Aldrich (St. Louis, Mo.).The kinase reaction are conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 &#956;L. Inhibitors are first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay is 0.5%. The PI3K assays are carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. The reaction mixture is prepared containing 50 &#956;M PIP2, kinase and varying concentration of inhibitors. Reactions are initiated by the addition of ATP containing 2.2 &#956;Ci [&#947;-33P]ATP to a final concentration of 1000 &#956;M. The final concentration of PI3K isoforms &#945;, &#946;, &#948; and &#947; in the assay were 1.3, 9.4, 2.9 and 10.8 nM, respectively. Reactions are incubated for 180 minutes and terminated by the addition of 100 &#956;L of 1 M potassium phosphate pH 8.0, 30 mM EDTA quench buffer. A 100 &#956;L aliquot of the reaction solution are then transferred to 96-well Millipore MultiScreen IP 0.45 m PVDF filter plate (The filter plate is prewetted with 200 &#956;L 100% ethanol, distilled water, and 1 M potassium phosphate pH 8.0, respectively). The filter plate is aspirated on a Millipore Manifold under vacuum and washed with 18×200 &#956;L wash buffer containing 1 M potassium phosphate pH 8.0 and 1 mM ATP. After drying by aspiration and blotting, the plate is air dried in an incubator at 37° C. overnight. Packard TopCount adapter (Millipore) is then attached to the plate followed with addition of 120 &#956;L Microscint 20 scintillation cocktail (Perkin Elmer) in each well. After the plate sealing, the radioactivity of the product is determined by scintillation counting on Topcount (Perkin-Elmer). IC50 determination is performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 3.0 software.
10803	1	In Vitro Evaluation	TR/ATRIP(h) was incubated in assay buffer containing 50 nM GST-cMyc-p53 and Mg/ATP (according to concentration required). The reaction was initiated by adding Mg/ATP mixture. After incubating for 30 min at room temperature, a stop solution containing EDTA to was added to terminate the reaction. Finally, detecting buffer containing d2-labeled anti-GST monoclonal antibody and europium-labeled anti-phospho Ser15 antibody against phosphorylated p53 were added. Then the plate was read in time-resolved fluorescence mode and homogeneous time resolution was performed.The fluorescence (HTRF) signal was determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
10804	1	Enzymatic Assay	Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis buffer (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 1% (v/v) Tween-20, 0.1% (v/v) NP-40, complete protease inhibitor cocktail tablets, phosphatase inhibitor cocktail tablets, 2 mM MgCl2, 0.2 mM EDTA, and 1 mM ATP). After sonication and centrifugation, the supernatant was incubated at 4° C. for 3 hours with 1 mL of anti-FLAG resin (Sigma catalog #A2220) that had been pre-equilibrated in buffer A (20 mM Tris-HCl pH 7.5 at room temperature, 137 mM NaCl, 10% glycerol, 1 mM DTT, 2 mM MgCl2, and 0.2 mM EDTA). The sample was loaded into a column, and then washed with buffer A three times. Protein was subsequently eluted with 2 ml of buffer B (buffer A+200 g/ml 3×FLAG peptide).
10805	1	Tyk2 & JAK2 Radioactive Kinase Assay	Peptide substrate, [KKSRGDYMTMQIG], (20 &#956;M) is prepared in reaction buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3PO4, 2 mM DTT, 1% DMSO. TYK2 (Invitrogen) kinase is added, followed by compounds in DMSO. 33PATP is added to initiate the reaction with ATP at 10 &#956;M. Kinase reaction is incubated for 120 min at room temp and reactions are spotted onto P81 ion exchange paper (Whatman #3698-915), and then washed extensively in 0.75% phosphoric acid, prior to reading the radioactivity counts. For JAK2 (Invitrogen) kinase assay the peptide substrate poly[Glu:Tyr](4:1), 0.2 mg/ml is used, in the reaction carried out the same as for TYK2.
10806	1	Enzyme Assay	Test substance: Compounds of the invention, prepared by the corresponding examples of the invention1. Experimental materials and instrumentsPDE9A2 Enzyme (BPS, Cat. No. 60090)384-well plate (Perkin Elmer, Cat. No. 6007279)2. Experimental procedurePreparation of the compounds: the compounds were prepared into 10 mM compound stock solution in DMSO for long-term storage. The obtained compound stock solution was diluted in 100 times with DMSO to obtain 100 &#956;M compound working mother solution, and then the compound working mother solution was diluted in 3 times with DMSO to obtain 8-10 concentration gradients of diluted compound mother liquor (100×).Incubation with the compounds: A very small amount of liquid pipetting system Echo was used to pipette the diluted compound mother liquor into a 384-well plate. 200 nL diluted compound mother liquor and 10 &#956;L PDE9A2 enzyme solution were added to each compound well. After centrifugation at 1000 rpm for 1 min, the mixture was incubated for 15 min at the room temperature. Then the 10 &#956;L substrate mixture was added. After centrifugation at 1000 rpm for 1 min, the mixture was incubated with shocking for 30 min at the room temperature. Finally, a stop solution was added to end the reaction system. The mixture was incubated with shocking for 60 min at the room temperature. In the maximum reading hole (Max), the compound was replaced by solvent. In the minimum reading hole (Min), the compound and enzyme solution were replaced by solvent.
10807	1	Kinase Assay	The ASK1 enzymatic assay was run following Promega ASK1 Kinase Enzyme System (Cat #V3881). The kit provides the protocol, enzymes and all reagents necessary to run an assay.The compounds, enzyme, substrate and ATP were diluted in provided assay buffer. The final concentration of the enzyme was 50 nM, substrate (Myelin basic protein) 1 &#956;g/mL and ATP 10 &#956;M. The compound and the enzyme were pre-incubated in a 384-well white solid bottom plate (Greiner, Cat #784075) for 10 minutes. After incubation, the substrate and ATP were added and incubated for an additional 60 minutes. After 60 minutes, ADP-Glo was added and the plate was incubated for another 40 minutes. After 40 minutes, Kinase Detection Reagent was added and the plate was incubated for 45 minutes. After 45 minutes, the plate was read on a Perkin Elmer EnVision using luminescence read (0.5 seconds/well).
10808	1	Enzymatic Assay	Kinase activities were assayed using the Transcreener-Fluorecescence polarization platform (BelBrook Labs, Madison, Wis., USA) that measures amounts of the reaction product, ADP. The IRAK4 reaction conditions were optimized using an IRAK1-derived peptide (sequence H-KKARFSRFAGSSPSQSSMVAR) to provide a linear reaction rate over the course of a 90 min incubation, which resulted in 10-12% conversion of the starting ATP to ADP. Final IRAK4 assay conditions were 1.25 nM IRAK4; 125 uM ATP; 10 uM MgC2; 125 uM peptide in reaction buffer (25 mM HEPES (pH7.4); 2 mM Dithiothreitol; 0.015% Brij-35; and 0.5% dimethyl sulfoxide. The IRAK1 activity was optimized similarly, yielding final assay conditions of 3 mM IRAK1; 62.5 uM ATP; 5 uM MgCl2, and 62.5 uM IRAK1 peptide in reaction buffer for 60 min.
10809	1	Human P2X7 Functional Assay	The functional activity of compounds was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensitive fluorescent dye, Fluo-4 (Molecular Probes). The changes in fluorescent signal were monitored by the cell imaging technology by Hamamatsu Photonics&#39;s Functional Drug Screening System (FDSS). Increases in intracellular Ca2+ concentration were readily detected upon activation with BzATP.
10810	1	Biochemical JAK and Tyk2 Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially or discretely diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
10811	1	Receptor Selection and Amplification (R-SAT) Assays	R-SAT&#39;s were generally performed with 50 ng/well of receptor and 20 ng/well of &#946;-galactosidase plasmid DNA. All receptor constructs used were in the pSI mammalian expression vector (Promega Inc) as described previously. The 5-HT2A receptor gene was amplified by nested PCR (polymerase chain reaction) from brain cDNA using the oligodcoxynuclcotides based on the published sequence (Saltzman et al., Biochem. Biophys. Res. Comm. 1991, 181, 1469). For large-scale transfections, cells were transfected for 12-16 h, then trypsinized and frozen in DMSO. Frozen cells were later thawed, plated at 10,000-40,000 cells per well of a 96 well plate that contained a compound according to Formula (I). To run functional antagonist assays, cells and compounds were additionally combined with a fixed concentration (approximately 3× the previously determined EC50) of an agonist (usually 5-CT) at 5-HT2A or other appropriate agonists for other receptors. With both methods, cells were then grown in a humidified atmosphere with 5% ambient CO2 for five days. Media was then removed from the plates and marker gene activity was measured by the addition of the b-galactosidase substrate o-nitrophenyl b-D-galactopyranoside (ONPG, in PBS with 5% NP-40). The resulting colorimetric reaction was measured in a spectrophotometric plate reader (Titertek Inc.) at 420 nM. All data were analyzed using the computer program XLFit (IDBSm). Efficacy is the percent maximal repression compared to repression by a control compound (ritanserin in the case of 5-HT2A). pIC50 is the negative of the log(IC50), where IC50 is the calculated concentration in molar that produces 50% maximal repression. The compounds as provided herein were assayed as described herein. Compounds of Formulas (I) and (II), demonstrated high inhibition of the 5-HT2A receptor activity as shown in the table below. This data below indicates that compounds as provide herein may be useful as pharmaceutical agents.
10812	1	Determination of the inhibition of the compounds on PDE4B1 activity by using cAMP HTRF assay	The inhibitory effect of the compounds on human PDE4B1 enzyme activity was determined by quantifying the 5&#8242;-adenosine monophosphate (5&#8242;-AMP) formed from 3&#8242;,5&#8242;-cyclic adenosine monophosphate (cAMP).The test compound or water (control) and human recombinant PDE4B1 enzyme (4.8 U) were mixed in a buffer solution (pH 7.4) consisting of 1× Hanks&#39; balanced salt solution (HBSS), 5 mM HEPES, 3 mM MgCl2, and 0.1% BSA and incubated for 10 min. A cAMP enzyme substrate (final concentration 40 nM) was added, and the mixture was incubated at room temperature for 60 min. Then a fluorescent acceptor (Dye2 labeled with cAMP), a fluorescent donor (anti-cAMP antibody labeled with europium cryptate) and a non-specific phosphodiesterase inhibitor IBMX (3-isobutyl-1-methyl xanthine; final concentration 1 mM) were added. After 60 min, the fluorescence transfer related to the amount of remaining cAMP was measured on a microplate reader (Rubystar, BMG) at &#955;ex=337 nm, &#955;em=620 nm and &#955;em=665 nm. The enzyme activity is calculated from the ratio of the signals measured at 665 nm and 620 nm. The results are expressed as percent inhibition of the enzyme activity of the control (without PDE4 inhibitor). The enzyme was omitted for measurement of the basic control. The IC50 value (IC50=the concentration that caused the half-maximum inhibition of the specific activity of the control) is derived from dose-response measurements with eight different concentrations (n=2; repeated 2 times).
10813	1	OGG1 Inhibitor Assays	In view of the deficiencies with conventional assays and inhibitors, many embodiments are directed to assays that directly measure excision by OGG1. In various embodiments, the assay incorporates a fluorogenic probe (OGR1) configured to directly measure the base excision activity of OGG1 by detecting the excision of 8-OG in real-time (FIG. 1). (See, e.g., Edwards, S. K., et al., ChemBioChem 2015, 16, 1637-1646, the disclosure of which is incorporate herein by reference.) In embodiments of this probe, 8-OG acts as a fluorescence quencher of a neighboring fluorescent DNA base, and enzymatic excision of the 8-OG renders the probe emissive. In various other embodiments, fluorescence intensity increases may be used to supply quantitative assays of OGG1 activity.
10814	1	TBK Biochemical Assay	Test compounds were transferred into Labcyte polypropylene 384 well plates (P055-25) and diluted to 3 mM using DMSO. 3 mM test compounds were dispensed using Labcyte ECHO dose response module into Greiner 784075 plates (columns 3-12 and 13-22, 10 point 1:4) so that high concentration was 30 uM final. 100 uM of a reference compound (1 uM final high concentration). Backfilling was performed if necessary so that all wells contain 1% DMSO final:add 75 nl DMSO/well into columns 1, 2 and 24 using Labcyte Echo.add 75 nl 1.0 mM staurosporine/well into column 23 using Labcyte Echo (10 uM final)add 4.5 ul enzyme/well using multidrop dispenseradd 3 ul substrate/well using multidrop dispenserincubate at 25° C. in Heidolph incubator for 90 min.add 7.5 ul 2× stop buffer using multidrop dispenserread on labchip ez reader II using TBK1.jobRaw data files were opened in the Caliper LabChip Reviewer program (Version 3.0.265.0 SP2) and peak assignments were adjusted to reflect substrate first with the software&#39;s post-run analysis options. A spline-fit baseline was applied using the software&#39;s analysis algorithm.
10814	2	IKKe Biochemical Assay	Test compounds were transferred into Labcyte polypropylene 384 well plates (P055-25) and diluted to 3 mM using DMSO. 3 mM test compounds were dispensed using Labcyte ECHO dose response module into Greiner 784075 plates (columns 3-12 and 13-22, 10 point 1:4) so that high concentration was 30 uM final. 100 uM of a reference compound (1 uM final high concentration). Backfilling was performed if necessary so that all wells contain 1% DMSO final:add 75 nl DMSO/well into columns 1, 2 and 24 using Labcyte Echo.add 75 nl 1.0 mM staurosporine/well into column 23 using Labcyte Echo (10 uM final)add 4.5 ul enzyme/well using multidrop dispenseradd 3 ul substrate/well using multidrop dispenserincubate at 25° C. for 90 min.add 7.5 ul 2× stop bufferread on labchip ez reader II using IKK&#949;. jobRaw data files were opened in the Caliper LabChip Reviewer program (Version 3.0.265.0 SP2) and peak assignments were adjusted to reflect substrate first with the software&#39;s post-run analysis options. A spline-fit baseline was applied using the software&#39;s analysis algorithm.
10815	1	Inhibitive Activities Against BTK wt, BTK(C481S), BMX, FAK, ITK, EGFR wt Kinases	The inhibiting activities of each of Compound-1 to Compound-24 against BTK wt, BTK(C481S), BMX, FAK, ITK, and EGFR wt kinases were determined using 33P ATP HotSpot kinase assay platform. (See, e.g., Ma, et al, 2008 Expert Opin Drug Discov. 3(6): 607-621.)Each of Compound-1 to Compound-24 were prepared as 10 mM DMSO solution, and then 1:3 serially diluted to a concentration of 1 &#956;M to 0.05 nM. Then, Kinase assays were performed using the HotSpot assay platform.Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer; 20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Compounds were delivered into the reaction, followed about 20 minutes later by addition of a mixture of ATP (Sigma, St. Louis Mo.) and 33P ATP (Perkin Elmer, Waltham Mass.) to a final concentration of 10 &#956;M.Reactions were carried out at room temperature for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper (Whatman Inc., Piscataway, N.J.). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
10816	1	RIPK1 HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPK1(1-324) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.Cloning and Baculovirus Expression of RIPK1 ConstructThe coding region of human RIPK1(1-324) flanked by NdeI site at 5&#8242; end and stop codon TGA and XhoI site at 3&#8242; end was codon optimized and gene synthesized at GenScript USA Inc. (Piscataway, N.J.) and subcloned into a modified pFastBacl vector (Invitrogen, Carlsbad, Calif.) with N-terminal His-GST-TVMV tag, to generate His-GST-TVMV-hRIPK1(1-324)-pFB. The fidelity of the synthetic fragment was confirmed by sequencing.Baculovirus was generated for the construct using the Bac-to-Bac baculovirus expression system (Invitrogen) according to the manufacturer&#39;s protocol. Briefly, recombinant bacmid was isolated from transformed DH10Bac E. coli competent cells (Invitrogen) and used to transfect Spodoptera frugiperda (Sf9) insect cells (Invitrogen). Baculovirus was harvested 72 hours post transfection and a virus stock was prepared by infecting fresh Sf9 cells at a 1/1000 (v/v) ratio for 66 hours.For large scale protein production, Sf9 cells (Expression System, Davis, Calif.) grown in ESF921 insect medium (Expression System) at 2×106 cells/ml were infected with virus stock at a 1/100 (v/v) ratio for 66 hours. The production was carried out either at a 10 L scale in a 22 L cellbag (GE Healthcare Bioscience, Pittsburgh, Pa.) or at a 20 L scale in a 50 L cellbag using WAVE-Bioreactor System 20/50 (GE Healthcare Bioscience). The infected cells were harvested by centrifugation at 2000 rpm for 20 min at 4° C. in a SORVALL RC12BP centrifuge. The cell pellets was stored at &#8722;70° C. before protein was purified.Purification of His-GST-TVMV-hRIPK1(1-324)RIPK1 containing cell paste was resuspended in 50 mM Tris pH 7.5, 150 mM NaCl, 10 mM imidazole, 5% glycerol, 5 mM MgSO4, 1 mM TCEP, 25 U/ml Benzonase, and Complete Protease Inhibitor tablets (1/50 ml, Roche Diagnostics, Indianapolis, Ind.). The cells were lysed by nitrogen cavitation using an unstirred pressure vessel @ 525 PSI (Parr Instrument Company, Moline, Ill.). The suspension was clarified by centrifugation at 136,000×g for 40 min, at 4° C. The lysate was decanted from the pellet and passed through a 5 ml NiNTA Superflow cartridge (Qiagen, Valencia, Calif.) using an AKTA Pure (GE Healthcare). Column was eluted with 10 CV linear gradient into 50 mM Tris 7.5, 150 mM NaCl, 500 mM imidazole, 5% glycerol, 1 mM TCEP. Peak fractions were pooled and loaded directly onto 5 ml GSTrap 4B column (GE Healthcare). Column was washed with 50 mM Tris 7.0, 150 mM NaCl, 5% glycerol, 1 mM DTT and eluted in 10 CV linear gradient into 50 mM Tris 8.0, 150 mM NaCl, 20 mM reduced glutathione, 5% glycerol, 1 mM DTT. Fractions identified by SDS-PAGE as containing RIPK1 were pooled and concentrated using 30 kDa MWCO spin concentrators (Amicon Ultra-15, Millipore, Billerica, Mass.) and loaded onto a HiLoad 26/600 Superdex 200 column (GE Healthcare) equilibrated in 25 mM Tris 7.5, 150 mM NaCl, 2 mM TCEP, 5% glycerol. The RIPK1 protein eluted as a dimer off the SEC column.The yield was 8 mg/L with a purity >95% as determined by Coomassie staind SDS-PAGE gel analysis.
10817	1	CDK2/Cyclin E1 HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays are conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) is incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/ml BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions are stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals are read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data is analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound.
10818	1	Cellular gamma-Secretase Assay	Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 &#956;l in 96-well plates in IMDM media containing 10% FCS, 0.2 mg/l Hygromycin B and incubated at 37° C., 5% CO2.3-4 hr post plating, compounds are a diluted in media and 50 &#956;l is added as 1.5-fold concentrate to achieve the final concentration. Compound incubation is performed for 24 hr. Final doses typically range from 4 &#956;M down to 0.001 &#956;M in half-log steps resulting in a eight point dose response curve.Appropriate controls using vehicle only and reference compound were applied to this assay. The final concentration of Me2SO was 0.4%.After incubation at 37° C., 5% CO2, the supernatant was subjected to quantification of secreted A&#946;42 by the means of an AlphaLisa assay kit (Human Amyloid beta 1-42 Kit: Cat #AL203C, Perkin Elmer). 20 &#956;l of the cell culture supernatant was transferred to an assay plate. Then 10 &#956;l of a mixture of the AlphaLisa coupled capture antibody and the biotinylated detection antibody was added and incubated for 3 hours at room temperature while softly shaking the assay plate. After a further addition of 20 &#956;l of the Donor beads the assay plate was incubated for 30 min at room temperature and constant shaking without exposure to direct light. The assay plate was then read on a Paradigm AlphaLisa Reader using the build-in program with excitation at 680 nm and emission at 570 nm.The measured signals were then used to calculate IC50 values for inhibition of A&#946;42 secretion by nonlinear regression fit analysis using XLfit 5.3 software (IDBS).
10819	1	Antagonistic Activity (IC50) of Compounds Against A2A Receptor	The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay, and the results are shown in Table 2. To be specific, each test compound was added to a 384-well plate Opti-Plate (PerkinElmer, 6007290) at a preset concentration and the wells were sealed with a sealing film. A 20 U A2A membrane (human adenosine A2A receptor membrane, PerkinElmer, RBHA2AM400UA) was added to 1 ml Assay Buffer (50 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM EDTA, 1 &#956;g/ml adenosine deaminase (Diazyme), 4° C.) to a final concentration of 25 nM, of which 50 &#956;l was taken and added to the Opti-plate and incubated at 25° C. for 90 min. 100 &#956;l of a 0.5% PEI solution was added to a UNIFILTER-96 GF/B filter plate (PerkinElmer, 6005177) to soak the filter plate at 4° C. for 90 min, and each well was washed twice with 500 &#956;l Washing Buffer (50 mM Tris-HCl, pH 7.4, 154 mM NaCl). The mixture in the Opti-plate was transferred to the UNIFILTER-96 GF/B filter plate, which was then washed 9 times with Washing Buffer (500 &#956;l/well), and incubated at 55° C. for 10 min. 40 &#956;l ULTIMA GOLD scintillation liquid (PerkinElmer, 77-16061) was added to each well, and the CPM (count per minute) value was read with TopCount (PerkinElmer, NTX). A series of concentrations were established for each compound and the CPM values were plotted versus the concentrations. IC50 values were calculated from the curve obtained. The reference compound is (3H)-CGS 21680, 250 &#956;Ci (30.7 Ci/mM) (PerkinElmer, NET1021).
10820	1	Viral quantification via plaque assay in Paris	Cells were seeded in 24-well plates at a concentration of 7.5×104 cells/well. The following day, serial dilutions were performed in serum-free MEM media. After 1 hour, absorption at 37° C., 2× overlay media was added to the inoculum to give a final concentration of 2% (v/v) FBS/MEM media and 0.05% (w/v) agarose (all Thermo Fisher Scientific) to achieve a semi-solid overlay. Plaque assays were incubated at 37° C. for 3 days. Samples were fixed using 4% formalin (Sigma Aldrich) and plaques were visualized using crystal Violet solution (Sigma Aldrich).Cell viability Paris. Cell viability was measured using the CellTiter-Glo luminescent cell viability assay (Promega) following the manufacturer&#39;s instructions, and luminescence measured in a Tecan Infinite 2000 plate reader. Cytotoxicity was performed in uninfected cells with same compound dilutions and concurrent with viral replication assay. Percent viability was calculated relative to untreated cells (100% viability) and cells lysed with 20% ethanol (0% viability).
10820	2	Viral quantification via N-protein staining in New York	After infection, supernatants were removed, and cells were fixed with 4% formaldehyde for 24 hours prior to being removed from the BSL-3 facility. The cells were then immunostained for the viral NP protein (1:10,000) with a DAPI counterstain. Infected (488 nM) and total cells (DAPI) were quantified using the Celigo (Nexcelcom) imaging cytometer. Infectivity was measured by the accumulation of viral NP protein in the nucleus of the cells (fluorescence accumulation). Percent infection was quantified as ((Infected cells/Total cells)&#8722;Background)×100 and the DMSO control was then set to 100% infection for analysis.
10820	3	plaque assay	The SARS-CoV-2 isolate BetaCoV/France/IDF0372/2020 (SARS-CoV-2 Paris) was supplied by the National Reference Centre for Respiratory Viruses hosted by Institute Pasteur (Paris, France). The isolate was supplied through the European Virus Archive goes Global (EVAg) platform. Viral stocks were prepared by propagation in Vero E6 cells in DMEM supplemented with 2% FBS. Viral titers were determined by plaque assay in Minimum Essential Media (MEM) supplemented with 2% (v/v) FBS (Invitrogen) and 0.05% agarose. All experiments involving live SARS-CoV-2 were performed in compliance with Institute Pasteur Paris&#39;s guidelines for Biosafety Level 3 (BSL-3) containment procedures in approved laboratories.
10821	1	Radioligand Binding Assay at Cloned Human mGluR5 Receptor Subtype	Affinity at transmembrane glutamate metabotropic cloned human mGluR5 receptor was evaluated according to the methods of Anderson (Anderson et al., J Pharmacol. Exp. Ther., (2002), Vol. 303(3), pp. 1044-51), with some modifications. Human cloned mGluR5 was obtained by re-suspending CHO T-REx h-mGluR5 cells (50 &#956;g/well) in 20 mM HEPES, 2 mM MgCl2, 2 mM CaCl2, pH 7.4, that then were incubated in a final volume of 1 ml for 60 min at 25° C. with 4 nM [3H]MPEP in the absence or presence of competing drugs. Non-specific binding was determined in the presence of 10 &#956;M MPEP. The incubation was stopped by addition of cold Tris buffer pH 7.4 and rapid filtration through 0.2% polyethyleneimine pretreated Filtermat 1204-401 (Perkin Elmer) filters. The filters were then washed with cold buffer and the radioactivity retained on the filters was counted by liquid scintillation spectrometry (Betaplate 1204 BS-Wallac).
10821	2	Calcium Fluorescence Measurements	Cells were seeded into black-walled, clear-bottom, 96-well plates at a density of 80000 cell/well, in RPMI (without Phenol Red, without L-glutamine; Gibco LifeTechnologies, CA) supplemented with 10% dialyzed FBS. Following 18-h incubation with tetracycline, the cells were loaded with 2 mM Ca2+-sensitive fluorescent dye Fluo-4/AM (Molecular Probes) in Hanks&#39; balanced saline solution (HBSS, Gibco LifeTechnologies, CA) with 20 &#956;M Hepes (Sigma) and 2.5 mM probenecid (Sigma), for 1 h at 37° C. The cells were washed three times with HBSS to remove extracellular dye. Fluorescence signals were measured by using the fluorescence microplate reader Flexstation III (Molecular Devices) at sampling intervals of 1.5 s for 60 s.The antagonist potency was determined using the EC80 of the quisqualate used as agonist and the potentiation of mGlu5 activation was determined using the EC20 of the agonist (quisqualate or glutamate). The compounds were applied 10 minutes before the application of the agonist.The negative allosteric modulator activity (expressed as IC50) and the positive allosteric modulator activity (expressed as EC50) of the compounds of the invention for the mGlu5 receptors is between 0.1 and 1000 nM. For instance, and in particular compounds 31 and 48 have an IC50 of 13.5 and 2.02 nM respectively, and compound 34 has an EC50 of 107.2 nM.
10821	3	Fold Shift of Agonist Curve Determination	The PAM potency was evaluated by performing an agonist concentration response curve in the presence of the compounds. The compounds at fixed concentration (0.01 or 0.1 or 1 &#956;M) were applied 10 minutes before the incubation of the agonist (quisqualate or glutamate) dose-response curve. The fold shift was determined as ratio of EC50 agonist curves in presence and in absence of test compound. Selected folds shift for some of the compounds of interest, prepared according to the invention, are shown in Table 5 below.
10822	1	Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose MCL-1 (amino acids 173-321, N-terminal fused to Maltose Binding Protein (MBP) SEQ ID 1)) and a synthetic Noxa BH3-derived peptide of sequence Biotin-PEG2-PEG2-PAELEVE-Nva-ATQLRRFGDKLNFRQKLL-amide (SEQ ID 2) served as protein receptor and tracer ligand respectively. The MBP-MCL-1 was purchased from Beryllium (Bedford, Mass., USA). The expression and purification of this protein construct has been described elsewhere (DOI:10.1371/journal.pone.0125010). The Noxa BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10822	2	Protein-Protein Interaction Assay: BCL-2/Bad BH3 Peptide (BCL-2 Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-2 (amino acids 1-211, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 5) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-2 protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10822	3	Protein-Protein Interaction Assay: BCL-XL/Bad BH3 Peptide (BCL-XL Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-XL (amino acids 1-212, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 3) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-XL protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10823	1	Enzymatic Activity of PI3K Isoform	The TR-FRET assay can monitor formation of the product 3,4,5-inositol triphosphate molecule (PIP3) as it competed with fluorescently labeled PIP3 for binding to the GRP-1 pleckstrin homology domain protein. An increase in phosphatidylinositide 3-phosphate product results in a decrease in TR-FRET signal as the labeled fluorophore is displaced from the GRP-1 protein binding site.The PI3K isoforms were assayed under initial rate conditions in the presence of 10 &#956;M ATP, and compounds were tested in 10-dose IC50 mode starting at a concentration of 0.5 &#956;M. Control compound, PI-103, was tested in 10-dose IC50 with 3-fold serial dilution starting at 10 &#956;M.Data are normalized based on negative (DMSO) control. The alpha, beta, delta, and gamma IC50 values were calculated from the fit of the dose-response curves to a four parameter equation. IC50 are reported in units of nM.
10824	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of Complement Factor D reaction rates as a function of test compound concentration.
10825	1	In Vitro TNIK Kinase Assay	The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11447469-20220920-P00001 Kinase Assay from Promega Corporation according to the manufacturer&#39;s protocol. The tested compounds were incubated with TNIK kinases. Reactions were performed in 10 &#956;l kinase buffer supplemented with reaction mixture containing 2 &#956;l ATP, 2 &#956;l MBP protein and 2 &#956;l TNIK at 37° C. for 30 min. The exact reactions&#39; conditions are provided in Table 5. After kinase reaction, 5 &#956;l reaction mixtures were transferred to 384 well assay plate (Greiner, solid white low-binding plates). Next, 5 &#956;l of ADP-Glo Reagent was added to each well and incubated at 37° C. for 30 min. After 45 min, 10 &#956;l Kinase Detection Reagent was added to each well and luminescence signal was detected with the SpectraMax M5e Microplate Reader (Molecular Devices, Menlo Park, Calif.) after 30 min at 37° C. incubation. The IC50 values were calculated using GraphPad Prism software (GraphPad Software Inc., La Jolla, Calif., USA) to determine kit performance. To the cut-off assay, the inhibitory activity of the compounds against TNIK kinase was expressed as the percentage of the kinase inhibitory activity for an indicated concentration of inhibitor. The IC s of the compounds against TNIK kinase values were calculated a log-concentration-response curve fitted with a four-parameter logistic equation and expressed dose-response curve for % of inhibitory activity versus log of the compound concentration.
10826	1	Inhibitory Activity Assay	The tested compounds and the reference compounds are dissolved in DMSO to prepare a high concentration of storage solution. The stock solution of reference compound was diluted with DMSO to prepare a 100× solution. In the first column of the working plate, 8 &#956;L above tested compounds and 8 &#956;L 100× reference compound were respectively added as the highest concentration, and then the highest concentrations were subjected to three times dilution to obtain 11 concentrations and prepare 100× solution. 0.5 &#956;L solution was transferred from the above plate to the detection plate. To each well was added 0.5 &#956;L 100× compound solution. For HPE and ZPE control wells, 0.5 &#956;L 100% DMSO was added.25 &#956;L 2×IDO1 (His-tag) enzyme solution (containing L-ascorbic acid, methylene blue, and catalase) was added to each well. 25 &#956;L reaction solution without IDO1 (His-tag) enzyme was added into HPE control well. The test plate was centrifugated at 1000 rpm for 1 minute to mix well. Then, the test plate was incubated at room temperature for 30 minutes. 25 &#956;L above 2× substrate (L-tryptophan) solution was added to each well. The test plate was centrifugated at 1000 rpm for 1 minute to mix well. The detection plate was placed on ELISA (SpectraMax M5e), the temperature was set at 25° C., and the absorbance (OD value) was measured at 320 nm every 10 minutes till 60 minutes.
10827	1	Enteropeptidase Inhibition Assay	The inhibitory activity of the enteropeptidase inhibitor synthesized using the purified Recombinant Human Enteropeptidase and the substrate Acetyl-Asp-Asp-Asp-Asp-Lys-AFC (BioVision) was measured. 7.2 ng/mL of Enteropeptidase diluted with a buffer (20 mM Tris, 50 mM NaCl, pH 7.5) in a 96 well plate (Costar), 30 &#956;M of Acetyl-Asp-Asp-Asp-Asp-Lys-AFC, several concentrations of Enteropeptidase inhibitors (1% DMSO concentration) were dispensed such that a final volume was 100 &#956;L, and then the enzyme reaction was carried out at 30° C. for 1 hour. At this time, 1% DMSO, a substrate and Enteropeptidase instead of the compound were dispensed onto positive control wells, and 1% DMSO and a substrate were dispensed onto negative control wells. The enzyme reaction was started using an excitation wavelength of 380 nm and an emission wavelength of 500 nm in a fluorescence spectrometer, and then the rate of increase in fluorescence (milli-units per min) between 20 and 60 minutes was measured.
10828	1	Binding Inhibition for Dopamine D3 Receptor	Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl2.6H2O (20909-55, Nacalai Tesque), 5 mM KCl (28514-75, Nacalai Tesque) and 2 mM CaCl2 (067-31, NAKARAI CHEMICALS, LTD.)Radioligand: (final concentration) 2 nM [3H]-Methylspiperone ([3H N-methyl-]-Methylspiperone, NET-856, 83.8 Ci/mmol, PerkinElmer)Non-specific ligand: (final concentration) 10 &#956;M Butaclamol [(+)-Butaclamol Hydrochloride, D033, Sigma]SPA beads solution: SPA beads [WGA PVT SPA Scintillation Beads, RPNQ0001 (500 mg), RPNQ0060 (2 g), PerkinElmer] (0.2 mg/well)Incubation time and temperature: 120 min at 25° C.
10828	2	Binding Inhibition for Dopamine D2 Receptor	Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl2.6H2O (20909-55, Nacalai Tesque), 5 mM KCl (28514-75, Nacalai Tesque) and 2 mM CaCl2 (067-31, NAKARAI CHEMICALS, LTD.)Radioligand: (final concentration) 1.2 nM [3H]-Methylspiperone ([3H N-methyl-]-Methylspiperone, NET-856, 83.8 Ci/mmol, PerkinElmer)Non-specific ligand: (final concentration) 10 &#956;M Butaclamol [(+)-Butaclamol Hydrochloride, D033; Sigma]SPA beads solution: SPA beads [WGA PVT SPA Scintillation Beads, RPNQ0001 (500 mg), RPNQ0060 (2 g), PerkinElmer] (0.2 mg/well)Incubation time and temperature: 120 min at 25° C.
10829	1	In Vitro Assays	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID No. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
10830	1	Enzyme Activity Inhibition	1. Preparation of a 1× kinase buffer: 40 mM Tris (pH 7.5), 20 mM MgCl2, 0.10% BSA, 1 mM DTT.2. Compound preparation: The final detection concentration of the compound was 10 &#956;M, which was prepared to a 100-fold concentration, i.e., 1 mM. 100 &#956;L of the 100-fold compound was added in the second well of the 384-well plate, and 60 &#956;L of 100% DMSO was added to the other wells. 30 &#956;L of compound from the second well was added to the third well, which was made a 3-fold dilution in sequence, diluting a total of 10 concentrations. 50 nL of the compound was transferred to the reaction plate with echo.3. Kinase reaction: The kinase was added to a 1× kinase buffer to form a 2× enzyme solution. The final concentration of the kinase solution was ALK5: 25 nM. The polypeptide TGFbR1 (purchased from Signal Chem, catalog number T36-58) and ATP were added to a 1× kinase buffer to form a 2× substrate solution. The final concentration of the substrate solution was peptide TGFbR1 0.1 mg/mL, ATP 7 &#956;M. 2.5 &#956;L of the 2× enzyme solution was added to the 384-well reaction plate (there was already 50 nL of 100% DMSO dissolved compound), and a 1× kinase buffer was added to a negative control well. The reaction solution was incubated at room temperature for 10 minutes. 2.5 &#956;L of 2× substrate solution was added to the 384-well reaction plate. The 384-well plate was covered and incubated at 30° C. for 1 hour. ADP-Glo reagent (purchased from Promege, catalog number v9102) was equilibrated to room temperature. 5 &#956;L of ADP-Glo reagent was transferred to the reaction well of the 384-well plate to stop the reaction.4. Detection of reaction results: 10 &#956;L of kinase detection reagent was transferred to each well, shaken for 1 minute, and let stand at room temperature for 30 minutes. The sample luminescence value was read at Synegy.
10831	1	Protein Kinase Assay Condition A (Thiol Containing Conditions)	A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the three protein kinases. All kinase assays were performed in 96-well FlashPlates&#153; from PerkinElmer (Boston, Mass., USA) in a 50 &#956;l reaction volume. The reaction cocktail was pipetted in four steps in the following order:20 &#956;l of assay buffer (standard buffer)5 &#956;l of ATP solution (in H2O)5 &#956;l of test compound (in 10% DMSO)20 &#956;l enzyme/substrate mixThe assay for all protein kinases contained 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &#956;M Na-orthovanadate, 1.2 mM DTT, 50 &#956;g/ml PEG20000, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase), [&#947;-33P]-ATP (approx. 9×1005 cpm per well), protein kinase (variable amounts), and substrate (variable amounts).
10831	2	Protein Kinase Assay Condition B (Thiol-Free Conditions)	A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the protein kinase. All kinase assays were performed in 96-well FlashPlates from PerkinElmer (Boston, Mass., USA) in a 50 microliter reaction volume. The reaction cocktail was pipetted in four steps in the following order: 20 microliter of assay buffer (standard buffer) 5 microliter of ATP solution (in H2O) 5 microliter of test compound (in 10% DMSO) 20 microliter enzyme/substrate mix. Each assay for the protein kinase contained 70 mM HEPES-NaOH pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 microM Na-orthovanadate, 1 mM TCEP, 50 &#956;g/ml PEG20000, ATP (corresponding to the apparent ATP-Km of the kinase, see Table A), [gamma-33P]-ATP (approx. 6×10×E5 cpm per well), with the protein kinase and relevant substrate being used in pre-determined amounts, depending on the kinase in question. For all experiments labeled as Thiol-free , all glutathione was exchanged from protein preparations so as to be removed from the assay and final buffer conditions contained no thiol-containing reagents. In addition, the DTT in the thiol-containing assays is replaced by TCEP in the thiol-free assays and all enzymes and substrates are produced under thiol-free conditions for the thiol-free assays.
10832	1	HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays are conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) is incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions are stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals are read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data is analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound. 
10833	1	Inhibition of Caspase Activity Assay	Caspase-1 was diluted to 10 U/&#956;l in assay buffer consisting of 50 mM HEPES, pH 7.4, 100 mM NaCl, 0.1% CHAPS, 1 mM EDTA, 10% glycerol and 10 mM DTT.Reaction Conditions:45 &#956;l of assay buffer was added into volume microtiter plate. The plate was allowed to equilibrate to assay temperature. 5 &#956;l of Caspase-1 (10 U/&#956;l) was added to each appropriate well. Two 2 blank wells containing just assay buffer without Caspase-1 were included on the plate.The reaction was started by the addition of 50 &#956;l Ac-YVAD-pNA substrate, for a final substrate concentration of 200 &#956;M. The reaction was continuously monitored at 405 nm.The data was graphed as OD405 nm vs time, and the slope was determined over the linear portion of the curve. The rates in OD/min were converted to substrate/min using an extinction coefficient for p-nitroaniline of 10,500 M-1 cm-1, and were adjusted for pathlength of sample. Similarly, assays were conducted for Caspase-3, Caspase-8 and Caspase-9.
10834	1	MCL-1/Noxa BH3 Peptide (MCL-1 Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose MCL-1 (amino acids 173-321, N-terminal fused to Maltose Binding Protein (MBP) SEQ ID 1) and a synthetic Noxa BH3-derived peptide of sequence Biotin-PEG2-PEG2-PAELEVE-Nva-ATQLRRFGDKLNFRQKLL-amide (SEQ ID 2) served as protein receptor and tracer ligand respectively. The MBP-MCL-1 was purchased from Beryllium (Bedford, Mass., USA). The expression and purification of this protein construct has been described elsewhere (DOI:10.1371/journal.pone.0125010). The Noxa BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10834	2	BCL-2/Bad BH3 Peptide (BCL-2 Assay) 	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-2 (amino acids 1-211, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 5) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-2 protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10834	3	BCL-XL/Bad BH3 Peptide (BCL-XL Assay) 	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-XL (amino acids 1-212, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 3) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-XL protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).
10835	1	Kinase Assay	MRCK&#945;, MRCK&#946;, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM of each kinase (Life Technologies) was incubated for 60 min at room temperature with 100 nM FAM-S6-ribosomal protein derived peptide (synthesized by Alta Biosciences, University of Birmingham UK) in the presence of 1 &#956;M ATP and 0.5 mM MgCl2 in 20 mM Tris buffer (pH 7.4) containing 0.01% Tween-20 and 1 mM DTT (MRCK&#945; and &#946;); or 1 &#956;M ATP, 10 mM MgCl2 in 20 mM Tris buffer (pH 7.5) containing 0.25 mM EGTA 0.01% Triton X-100 and 1 mM DTT (ROCK1 and ROCK2). Typically, dose response analyses were performed over concentration ranges from 0.005-100 &#956;M. Reactions were stopped by adding 2 assay volumes of 0.25% (v/v) IMAP binding reagent in 1×IMAP binding buffer A (Molecular Devices). After 30 min incubation to allow binding reagent to bind phosphorylated peptide, fluorescence polarization was measured on a Tecan Saphire2 plate reader at excitation (470 nm) and emission (530 nm) wavelengths. Inhibition was calculated using no inhibitor and no enzyme controls as 0 and 100% inhibition, respectively.
10836	1	Fluorescence Anisotropy Assay	The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe
10837	1	Enzyme Assay and NMN Detection	NAMPT reaction was performed in 50 mM HEPES, pH 7.5, containing 5 mM MgCl2, 0.1% Prionex, 0.005% Tween 20, and 1 mM TCEP at room temperature in Greiner 384-well black polypropylene plates. The concentration of substrates and enzymes in the final assay were as follows: ATP (120 uM), nicotinamide (5 uM), phosphoribosylpyrophosphate (6.25 uM), NAMPT enzyme (16 nM), pyrophosphatase (0.04 U/ml) in the final reaction volume 6 uL. Following 2 h incubation the reaction was stopped by addition 2.5 ul 20% acetophenone in dimethyl sulfoxide (DMSO) and 2.5 ul 2 MKOH. Plates were centrifuges and added with 10.5 ul 88% formic acid. The fluorescence (ex380/em460) was measured following another short incubation and 30 min incubation. The increased concentration of NMN was determined from a calibration curve obtained at the time of experiment.
10838	1	HTS Assay	The conditions of the assay are as follows:Microplate type: 1536 Well Black Round Bottom Polystyrene Not Treated (Corning cat no. 3936)Total reaction volume: 5 &#956;LMRE11 concentration in the reaction: 18 nMDNA substrate concentration in the reaction: 40 nMNumber of compounds to test: 257Inhibitor concentration range tested: 7 nM-50 &#956;MMultiplicates: 3Concentration points: 13Dilution step: 2.1Each plate contains a series of high and low signal control wells, where no compound is added:High signal: MRE11+DNA substrateLow signal: DNA substrate onlyThese are used during data evaluation.Two Extra Assay Controls:1) To check whether unwinding of DNA by the compounds alone occurs.The DNA substrate [CY5+BBQ(650)] is mixed with the compounds with no protein present.This is done as a single measurement at 25 &#956;M inhibitor concentration.2) To check whether the compounds are able to quench the CY5.The CY5 single stranded oligo is mixed with the compounds with no protein present. This is done as a single measurement at 25 &#956;M inhibitor concentration.The layout of the plates is created by the in-house software (CZ-Openscreen Prague) and this information is transferred to the robotic HTS station.Assay Steps1) Prepare 50 mL of master mix:16.7 mL 5× reaction buffer (150 mM Bis Tris pH 7; 5 mM DTT)1042 &#956;L 400 mM MnCl232.3 mL H2O2) Fill the plates with 3 &#956;L of master mix per well using MultiDrop (Thermo Scientific)3) Transfer of compounds to the plates at the robotic station with the contactless Echo dispenser (Labcyte)4) Measurement of autofluorescence with the EnVision reader (PerkinElmer)5) Prepare 20 mL of 90 nM MRE11 in T+50 buffer (25 mM Tris-HCl pH7.5, 50 mM KCl 8.7% glycerol, 0.5 mM EDTA)6) Add 1 &#956;L of 90 nM MRE11 to the corresponding wells using MultiDrop7) Preincubation at RT for 30 min8) Prepare 20 mL of a 200 nM solution of 5&#8242; overhang DNA substrate: 480 &#956;L 6 &#956;M DNA+19.52 mL H2O9) Prepare 4 mL of a 200 nM solution of the single stranded DNA (oligo 1): 8 &#956;L 100 &#956;M DNA+4 mL H2O10) Add 1 &#956;L of each 200 nM DNA solution to the corresponding wells with the MultiDrop11) Fluorescence measurement with the EnVision reader every 45 minutesFluorescence readout: CY5&#955;ex/em=620/665 nmAnalysis
10839	1	Biochemical JAK Kinase Assay	Assay 1: A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
10840	1	Kinase Inhibition	Kinase assay: After the buffer was prepared, the enzyme was mixed with different concentrations of the compound prepared by pre-diluting, and allowed to stand at room temperature for 30 minutes, with each concentration in duplicate. The corresponding substrate and ATP were added and reacted at room temperature for 60 minutes (wherein negative and positive controls were set). After the reaction was completed, the antibody was added for detection. After incubation at room temperature for 60 minutes, Evnvision detection was performed, and data were collected. The enzyme activities in the presence of varying concentration of the compounds of the present invention were determined by Evnvision microplate reader, and the inhibitory activities of the compounds at different concentrations on the enzyme activity were calculated. Then, the inhibitory activities of the compounds at different concentrations on the enzyme activity were fitted to the four-parameter equation according to the Graphpad 5.0 software, and the IC50 values were calculated.
10841	1	Phosphodiesterase Enzyme Assay	TABLE 5: All 3&#8242;, 5&#8242; cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. Compounds to be tested are diluted in pure DMSO using ten point concentration response curves. Maximal compound concentration in the reaction mixture is either 10 or 100 &#956;M. Compounds at the appropriate concentration are pre-incubated with either of the PDE enzymes for 30 minutes before the reaction is started by the addition of substrate. Reactions are allowed to proceed for 60 minutes at room temperature. Next, reactions are stopped by addition of SPA beads. Samples are read 12 hours later in a MICROBETA TRILUX Counter. IC50 values are calculated by plotting the normalized data vs. log [compound] and fitting the data using a four parameter logistic equation.PDE1B, PDE1A, and PDE1C are cloned and purified following standard protein generation procedures. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 50 mM MgCl2, 4 mM CaCl2), 0.1% BSA and 6 U/mL Calmodulin in water, at pH 7.5. The final enzyme concentration is 0.25, 0.074 and 0.0012 nM, for PDE1A, PDE1B and PDE1C respectively. The reactions are started by addition of the substrate, [3H]cAMP, to give a final concentration of 47 nM.
10841	2	PDE Enzyme Assay	Table 6: The following PDE activities are measured using [3H]cAMP as reaction substrate: human PDE3A (catalytic domain) and human PDE4D. Both enzymes are cloned and purified following standard procedures. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgCl2, 1.7 mM EDTA and 0.1% BSA at pH 7.5. Final enzyme concentrations are 0.008 and 0.021 nM for PDE3A and PDE4D, respectively. Reactions are started by addition of the substrate, [3H]cAMP, to give a final concentration of 47 nM.
10841	3	PDE Enzyme Assay	Table 7: The following phosphodiesterase activities are measured using [3H]cGMP as reaction substrate: human PDE6A/6B. The catalytic active form of human PDE6 is a dimer composed of an a (human PDE6A) and 3 subunits (human PDE6B). The dimer of human PDE6A/6B is produced by the coexpression and purification strategy, using two purification steps, i.e., NiNTA and anti-FLAG Sepharose chromatography. The assay buffer is prepared to give a final concentration in the assay of 50 mM Tris-HCl, 8.3 mM MgCl2, 1.7 mM EDTA and 0.1% BSA at pH 7.5. The final enzyme concentration is 5 nM. The reactions are started by addition of the substrate, [3H]cGMP, to give a final concentration of 80 nM.
10842	1	Endonuclease Inhibition Assay	Compounds were dissolved and serially diluted in 100% DMSO then 0.5 &#956;l was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/75 PA(1-209) was prepared in assay buffer (20 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Tween 20, 100 mM NaCl and 1 mM DTT) and 20 ul was added to each well of assay plate with compounds, centrifuged for 1 min at 1000 rpm and incubated for 30 min at room temperature. 20 &#956;l of 20 nM fluorescein-labeled probe [5-(4-(3-carboxy-3-oxopropanoyl)-4-(4-chlorobenzyl)piperidine-1-carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid] in assay buffer was then added, centrifuged for 1 min at 1000 rpm and incubated for 60 min at room temperature.Fluorescence polarization was measured on Perkin Elmer Envision plate reader with excitation at 480 nm and emission at 535 nm and reported in millipolarization units (mP). IC50 values were determined relative to wells containing 125 uM of a compound known to bind to the active site of PA and uninhibited wells containing 1.25% DMSO.
10843	1	Biochemical Assay	The enzymatic activity of human HPK1 (MAP4K1) was monitored in a biochemical assay in the presence or absence of compounds and using a synthetic peptide substrate. An increase in phosphorylation of the peptide by HPK1 was indicative of its kinase activity.Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and was pre-activated in the presence of 2 mM ATP (Sigma-Aldrich, cat #GE27-2056-01) and 2 mM magnesium chloride for 16 hours at 4° C. The protein reaction mixture was then loaded to a desalting column (Thermo Fisher Scientific, Cat #89889) to remove excess ATP. HPK1 was eluted with buffer containing 20 mM Tris (2-Amino-2-(hydroxymethyl)propane-1,3-diol) pH 8.0, 150 mM NaCl, 2 mM dithiothreitol and 5% glycerol, and was frozen at &#8722;80° C. for later use. HPK1 dual phosphorylation was confirmed by mass spectrometry.
10844	1	KRas G12D Surface Plasmon Resonance (SPR) Binding Assay	Table 1: Briefly, 1 L of 1.05× HBS-Mg buffer (262.5 mM Bioultra Hepes, pH 7.5, 157.5 mM NaCl, 105 mM MgCl2, 0.525 mM TCEP, 0.0305% Brij-35) was prepared and filter sterilized using a 0.22 &#956;m bottle top filter. Approximately 50 mL of 1.05× HBS-Mg buffer was removed and saved for future dilutions. A 50 mL aliquot of DMSO (Sigma Aldrich DMSO Lot. #SHBK2079) was added and continued to stir for 10 minutes, creating the final 1.0× HBS-Mg buffer (250 mM Bioultra Hepes pH 7.5, 150 mM NaCl, 100 mM MgCl2, 0.5mM TCEP, 0.03% Brij-35).
10844	2	KRas G12D Binding Assay	Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KRAS G12D (corresponding to amino acids 1:169, produced at Array BioPharma) was incubated with a custom-made Cy5 labelled tracer, europium labelled streptavidin and compound (2% DMSO final) in buffer (50 mM HEPES [pH 7.5], 5mM MgCl2, 0.005% Tween-20 & 1 mM DTT). After a 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC is determined using no test compound and 0 POC is determined using a concentration of control compound that completely inhibits binding of the tracer to KRAS. The POC values were fit to a 4-parameter logistic curve and the IC50 value was determined as the concentration where the curve crosses 50 POC.
10845	1	Radioligand Binding Assay	i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2 &#8194;4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followed by 0.2 &#956;M sterile filtrationii. Preparation of 8 doses of reference and exemplary test compounds starting from 10 mM stock solution as requested by 5-fold serial dilutions with 100%;iii. Prepare (v/v) DMSO: a. Add 50 &#956;l/well of 0.5% (v/v) PEI to UniFilter-96 GF/B plates. Seal the plates and incubate at 4° C. for 3 hrs; b. After incubation, wash the plates 3 times with ice-cold wash buffer (50 mM Tris, pH7.4);iv. Preparation of assay plates: a. Dilute cell membrane with assay buffer and add 330 &#956;l/well to 96 round deep well plates to reach a concentration of 20 &#956;g/well; b. Prepare 8 concentrations of reference or exemplary test compounds and add 110 &#956;l/well to 96 round deep well plates; c. Dilute [3H]-ketanserin with assay buffer to 5 nM (5× final concentration) and add 110 &#956;l/well to 96 round deep well plates.v. Centrifuge the plate at 1000 rpm for 30 secs and then agitate at 600 rpm, R.T. for 5 min.vi. Seal the plates and incubate the plate at 27° C. for 90 min.vii. Stop the incubation by vacuum filtration onto GF/B filter plates followed by 4 times washing with ice-cold wash buffer (50 mM Tris, pH7.4).vii. Dry the plates at 37° C. for 45 min.ix. Seal the filter plates and add 40 &#956;l/well of scintillation cocktail.x. Read the plate by using a Microbeta2 microplate counter.
10846	1	Biological Assay	Measurement of Inhibitory Activity on AT1 Receptor (AT4R)/AT2 Receptor (AT2R)Through the following steps, the inhibitory activity of the compound on AT1R/AT2R (IC50 value) was determined:1) An appropriate amount of 1×TLB (Tag-lite Buffer) was prepared and well mixed for use.2) The compound was diluted by 10 times with ddH2O or DMSO. The compound was then dilute to 4 times of the working concentration with 1×TLB and mixed well for use.3) 8600 nM Tag-lite angiotensin receptor red agonist was diluted to 12 nM (4×Kd) with 1×TLB.4) 5 ml 1×TLB was taken into a 15 ml centrifuge tube.5) After thawing 1 tube of Tb-labeled AT1R/AT2R cells in a 37° C. water bath, the cells were quickly transferred to the 1×TLB in step 4), mixed gently, and centrifuged at 1200 g for 5 minutes at room temperature.6) The supernatant was aspirated gently, and the cells were resuspended and mixed in 2.7 ml 1×TLB, and then placed at room temperature until use.7) 10 &#956;l cells were added to all test wells, and 5 &#956;l 4× working solution of the compound from step 2) was added to the corresponding test wells. 5 &#956;l 4× Tag-lite angiotensin receptor red agonist well diluted in step 3) was added to all test wells.8) After leaving the reaction plate at room temperature for 1 h, data were measured and analyzed using Envision HTRF Reader, and the half inhibitory concentration (IC50) of the compound on AT1R/AT2R was calculated with the GraphPad Prism four-parameter equation.
10847	1	3H-cGAMP Filtration Binding Assay (HAQ STING)	The compounds were serially titrated by the Hamilton STARPlus CORE in a 96-well plate (Greiner, #651201) using a 1:3 ten-point dose response format. After compound preparation, a 2.2 ug/ml working concentration of STING membrane (SEQ. ID. No. 2) was prepared by diluting concentrated membrane into assay buffer (1×PBS; Invitrogen #SH30028.02) and douncing 7× using a manual tissue homogenizer (Wheaton, #357546). 148 uL of prepared membrane was then manually added to each well of a 96-well deep-well polypropylene plate (Fisher Scientific, #12-566-121). Following membrane addition, 2 uL of either titrated test compound, DMSO control (Sigma #276855), or cold cGAMP control (prepared in-house) was added to the appropriate wells using a Biomek FX. Compound and membrane then preincubated for 60 min at RT to allow compound binding to equilibrate. Following equilibration, 8 nM of [3H] c-GAMP ligand was prepared by diluting into assay buffer, and 50 uL of this working stock was then manually added to each well of the assay plate. Plates were then incubated at RT for 60 min, and the contents of each assay plate were then filtered through a 96-well GF/B filter plate (PerkinElmer, #6005250) using a TomTec MachIII Cell Harvester equipped with 20 mM HEPES buffer (Fisher Scientific, #BP299500). The filter plates were then dried at 55° C. for 30 min using a pressurized VWR oven before 30 uL of Ultima GoldF scintillate was added to each well. Tritium levels for each reaction well were then measured using a PerkinElmer TopCount plate reader.
10848	1	Determination of Ki Value at 5-HT6 Receptor	Compound was tested at MDS pharma services and Novascreen according to the following procedures.Materials and Methods:Receptor source: Human recombinant expressed in Hela cellsRadioligand: [3H]-LSD (60-80 Ci/mmol)Final ligand concentration [1.5 nM]Non-Specific Ligand: 5 &#956;M Serotonin (5-HT)Reference compound: Methiothepin mesylatePositive control: Methiothepin mesylateIncubation conditions: Reactions were carried out in 50 mM Tris-HCl (pH 7.4) containing 10 mM MgCl2, 0.5 mM EDTA for 60 minutes at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT6 binding site.Reference: Molecular Pharmacology, 1993, 43, 320-327.Compounds 1, 2 and 3 selectively bind to 5-HT6 receptor when tested by the in-vitro radioligand binding technique on human recombinant 5-HT6 receptor.
10848	2	Determination of Ki Value at 5-HT2A Receptor	Compound was tested according to the following procedures.Materials and Methods:Receptor source: Recombinant mammalian cellsRadioligand: [3H]-Ketanserine (47.3 Ci/mmol)Final ligand concentration [1.75 nM]Non-Specific Ligand: 0.1 mM 1-Naphthylpiperazine (1-NP)Reference compound: 1-Naphthylpiperazine (1-NP)Positive control: 1-Naphthylpiperazine (1-NP)Incubation conditions: Reactions were carried out in 67 mM Tris-HCl (pH 7.4) for 1 hour at 37° C. The reaction was terminated by rapid vacuum filtration onto the glass fiber filters. Radioactivity trapped onto the filters was determined and compared to the control values in order to ascertain any interactions of the test compound(s) with the cloned serotonin 5-HT2A binding site.Reference: Methods in Molecular Biology, 2002, 190, 31-49Compounds 1, 2 and 3 bind weakly to 5-HT2A receptor when tested by the in-vitro radioligand binding technique on human recombinant 5-HT2A receptor.
10849	1	LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay	The LATS1 biochemical HTRF assay was performed using the HTRF KinEASE-STK S1 kit (CisBio, catalogue number 62ST1PEC) according to manufacturer&#39;s instructions. Human LATS1 kinase domain protein was purchased from Carnabio (catalogue number 01-123), which harbors the catalytic domain of amino acids 589-1130, and was co-purified with human His-tagged MOBKL1A (NP_775-739). Compounds were added by ECHO liquid handler (Labcyte) into 384-well plates. Then 5 microlitre of the following solution was added into the wells (50 mM HEPES, 0.01% BSA, 100 nM Orthaovanadate, 1 mM MgCl2, 1 mM DTT, 0.6 ng/microlitre LATS1 enzyme (Carnabio, 01-123), 2 micromolar STK1 localising aid (CisBio)), followed with 5 microlitre of 2 mM ATP in the kinase buffer (50 mM HEPES, 0.01% BSA, 100 nM Orthaovanadate, 1 mM MgCl2, 1 mM DTT) and incubated for 30 minutes at room temperature. 10 microlitre of detection mix (50 mM HEPES, 0.01% BSA, 100 nM Orthaovanadate, 1 mM MgCl2, 1 mM DTT, STK Antibody-Cryptate (CisBio), Streptavidin-XL665 (CisBio), 500 micromolar potassium fluoride, 50 nM EDTA) was added to each well and incubated for 1 hour at room temperature. Plates were read on Pherastar (BMG Labtech) for HTRF (665 nm/620 nm). The IC50 is measured when the effect of the compound reduces the HTRF signal by 50%.
10849	2	LATS2 Biochemical Caliper Assay	Human LATS2 kinase domain protein was purchased from Carnabio (catalogue number 01-124), which harbors the catalytic domain of amino acids 553-1088, and was co-purified with human His-tagged MOBKL1A (NP_775-739). 5 microlitre of enzyme buffer, 100 nL of compounds and 5 microlitre of localising aid buffer were added into 384-well plates. The final assay reaction mix contains 100 mM HEPES, pH7.5, 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 10 mM MgCl2, 10 micromolar Sodium Orthovanadate, 10 micromolar Beta-Glycerophosphate, 400 micromolar ATP, 1% DMSO, 1.1 nM LATS2 enzyme (Carnabio, 01-124), 1 micromolar localising aid of FAM-KKLRRTLSVA-COOH (SEQ ID NO: 24) (NanoSyn). The plates were incubated at 25° C. for 3 hours. 40 microlitre of stop buffer with 25 mM EDTA (NanoSyn) was added to each well to terminate the reaction. Localising aids and products were separated electrophoretically using the microfluidic-based Caliper Labchip 3000 Drug Discovery System (Caliper Life Sciences). Plates were read using blue laser excitation and green fluorescence detection and quantified by fluorescence intensity. The IC50 is measured when the effect of the compound reduces the product fluorescence signal by 50%.
10849	3	LATS1 Biochemical Caliper Assay	The LATS1 biochemical Caliper assay was performed as following.Human LATS1 kinase domain protein was purchased from Carnabio (catalogue number 01-123; lot 15CBS-0098D). Human LATS1, catalytic domain [589-1130(end) amino acids of accession number NP_004681.1] was co-expressed as N-terminal GST-fusion protein (90 kDa) with human His-tagged MOBKL1A [1-216(end) amino acids of accession number NP_775739.1] using baculovirus expression system. GST-LATS1 was purified by using glutathione sepharose chromatography. The substrate (Fluo-SGKtide; Peptide for LATS1; lot BS-41067) has the following sequence: 5-Fluo-Nva-KKRNRRLSVA-amide (SEQ ID NO: 27) x TFA and was purchased from Biosyntan.The reaction is performed in reaction buffer containing 50 mM Hepes pH 7,5; 0.02% Tween20; 0.02% BSA; 1 mM DTT; 10 uM Na3VO4 and 10 mM beta-Glycerolphosphat and fresh added 1 mM MgCl2 and qsp H2O.The substrate solution (2× conc.) in Reaction Buffer contains 300 &#956;M ATP and 4 &#956;M Fluo-SGKtide.The kinase solution (2× conc.) in Reaction Buffer contains 20 nM LATS1 kinase. 4.5 &#956;L of 2× conc. Kinase solution, 50 nL of 1.8 mM compounds and 4.5 &#956;L of substrate solution were added into 384-well plates black small volume from Greiner and incubated at 32° C. for 1 hour. 15 &#956;L of stop buffer containing 100 mM Hepes pH 7,5; 5% DMSO; 0.1% Coating reagent; 10 mM EDTA and 0.02% Brij35 and qsp H2O to each well to terminate the reaction.Substrates and products were electrophoretically separated using the microfluidic-based Caliper EZ Reader System (Caliper Life Sciences) using a 12 sipper chip (cat 760404). The separation takes place in Coating Buffer (idem Stop buffer) and containing 0.1% Coating reagent CR3 and 0.5% coating reagent CR8 (Perkin Elmer).Plates were read using a LED with an excitation at 488 nm and a detection at 520 nm to 5 quantify the fluorescence intensity. The IC50 is measured when the effect of the compound reduces the product fluorescence signal by 50%. 
10850	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
10851	1	TEAD Inhibition Assay	TEAD inhibition can be assayed using Hippo Pathway TEAD Reporter MCF7 Cell Line (BPS Bioscience, Catalog #: 60618).
10852	1	S-Tetralol Oxidation Assay	the inhibitory potency of the individual compounds against the AKR1C isoforms was determined by monitoring the NADP+ dependent oxidation of S-tetralol catalyzed by the AKR1C enzymes using substrate concentrations at their Km values in the presence and absence of varying concentration of the inhibitors (Adeniji, et al., 2012, J Med Chem 55:2311-2323). Reaction systems (200 &#956;L) contained 100 mM potassium phosphate buffer (pH 7.0), 4% DMSO, 200 &#956;M NADP+, a serial dilution of compounds, S-tetralol, and AKR1C enzymes. The concentration of S-tetralol used in the inhibition assays using AKR1C1, 1C2, 1C3, and 1C4 was 5, 22.5, 165, and 25 &#956;M, respectively, which was equal to their Km values in order to make a direct comparison of IC50 values. The concentration of AKR1C1, 1C2, 1C3, and 1C4 was 111, 86, 95, and 552 nM, respectively. Reagents were mixed and incubated at 37° C. for 10 min followed by adding AKR1C enzymes to initiate the reaction. A continuous fluorometric assay (Ex, 340 nm; Em, 460 mM) to measure NADPH formation was conducted at 37° C. for 5 min, and the IC50 value of each compound was calculated. To determine the pattern of inhibition, five fixed concentrations of S-tetralol were used and four different concentrations of inhibitor were used and a gobal fit of the equations for COMP, NONCOMP and UNCOMP to the data was applied using Grafit.
10852	2	Cox-1 Assay	The effect of the compounds on COX-1 activity was determined by a continuous colorimetric assay that monitored the oxidation of N, N, N, N-tetramethyl-1,4-phenylenediamine (TMPD) when coupled to the COX catalyzed formation of PGH2 from PGG2 using arachidonic acid as substrate. In brief, 200 &#956;L of reaction solution was composed of 100 mM Tris-HCl (pH 8.0), 2 &#956;M Hemin (Sigma), 5% DMSO, a serial dilution of compounds, COX-1 enzyme (175 nM), 80 &#956;M TMPD (Sigma), and 20 &#956;M arachidonic acid (Sigma). Reagents were mixed and incubated at 25° C. for 5 min followed by adding a mixture of TMPD and arachidonic acid to initiate the reaction. A continuous colorimetric assay to measuring TMPD oxidation at 610 nm was conducted using a Synergy 2 plate reader at 25° C. for 5 min, and IC50 value of each compound was calculated (Adeniji, et al., 2012, J Med Chem 55:2311-2323).
10853	1	metallo-beta-lactamase inhibition assay	Inhibition of metallo-&#946;-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 &#956;g/mL PEG4000), containing 1.5 nM NDM-1, 100 &#956;M nitrocefin, and a range of concentrations of compound. Absorbance at 490 nm was measured using a BMG LABTECH FLUOstar Omega microplate reader every minute for 30 minutes. IC50S were determined from the average increase in OD per minute versus the Log 10 concentration of compound using GraphPad Prism.
10854	1	PAS Kinase Luminescence Assay	One assay for purified hPASK activity utilizes the Kinase-Glo Luminescent Kinase Assay (Promega), which quantifies the amount of ATP remaining in solution following kinase reaction. The assay is carried out in a 96-well plate format and is performed by adding a volume of Kinase-Glo Reagent (Promega, catalog #V3771) equal to the volume of solution in the well of a completed kinase reaction. Kinase-Glo reagent contains Luciferase and its substrate. After addition to a kinase reaction it allows to measure luminescence. The amount of ATP left in solution at the time of Kinase-Glo Plus addition is directly proportional to the luminescence that is measured in each well, and inversely correlated with kinase activity.Purified hPASK from insect cells (0.02 g) is added to a 50 L reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM DTT and 1 g of MBP protein. Inhibitory compounds are then added and the mixture is incubated for 10 min at 25° C. before adding 5 L of ATP (at desired concentration). The reaction is allowed to proceed at 25° C. for 1 hour before adding 50 L of Kinase-Glo reagent. The luminescence is measured as soon as 10 minutes after Kinase-Glo reagent is added.
10854	2	PASK ATP Radiochemical Assay	Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is added to freshly prepared Base Reaction Buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and Myelin Basic Protein (2 &#956;M final). Test compounds in DMSO are then added and the mixture, followed by delivery of 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) to initiate the reaction. The kinase reaction is incubated for 120 min at room temperature. The entire reaction mixture is washed through onto a P81 Phosphocellulose paper and washed three times for 10 minutes in 75 mM phosphoric acid and once in methanol prior to drying and scintillation counting.
10854	3	PAS Kinase FRET Assay	The aim of the FRET assay is to determine the inhibition potential of test compounds on targeted kinase. This assay platform provides a homogenous screening method for measuring kinase activity by quantitating the amount of phospho-substrate in solution following a kinase reaction.In the presence of kinase and ATP, the Ulight-peptide is phosphorylated and captured by an anti-phospho-substrate antibody, which brings the Eu chelate donor and Ulight acceptor dyes into close proximity. Upon excitation at 340 nm, the Eu chelate transfers its energy to the Ulight dye, resulting in a fluorescent light emission at 665 nm.Titration of kinase at 1 mM ATP was achieved via the following protocol. After making serial three-fold dilutions of PASK (Invitrogen) in reaction buffer across the plate; 5 &#956;l of kinase dilution and 5 &#956;l substrate/ATP mix were added to the wells of the white Optiplate-384 (PerkinElmer). The contents of the plate were and incubated at RT for 1 h. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FRET mode (665 nm/615 nm). The results were graphed to calculate the EC50. Titration of ATP at the EC50 concentration of kinase to determine ATP Km,app. was performed using the following method. After making serial dilutions of ATP (Invitrogen), 5 &#956;l of ATP dilution and 5 &#956;l substrate/kinase mix were added to the wells of the white Optiplate-384 (PerkinElmer). The contents of the plate were and incubated at RT for 1 h. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes. 5 &#956;l of detection mix (detection antibody diluted in detection buffer) was added; the contents of the plate were mixed and then incubated in the dark for 1 hour at RT. The signal was recorded at TR-FRET mode (665 nm/615 nm). The results were graphed to calculate the EC50 as the ATP Km,app.Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO at RT for 1 hour, and then sonicating at 100% output for 8 minutes. If compound is not soluble under this condition, it was diluted to 3 mM. Kinase reaction buffer was prepared containing 10 mM MgCl2, 50 mM HEPES, 1 mM EGTA, 0.01% TWEEN-20, 2 mM DTT. Serial dilutions of the test compounds were prepared at 4× final assay concentrations using Freedom EVO200 dispensing system as follows: 12×10&#8722;5 M 4×10&#8722;5 M, 1.33×10&#8722;5 M, 4.44×10&#8722;6 M, 1.48×10&#8722;6 M, 4.92×10&#8722;7 M, 1.65×10&#8722;7 M, 5.48×10&#8722;7 M, 1.82×10&#8722;8 M, 6.09×10&#8722;9, 2.03×10&#8722;9 M. Test compounds (2.5 &#956;l at 4× the final assay concentration) was added to wells using Freedom EVO200 dispensing system. As a positive control, 2.5 &#956;l of positive compound was added to assay wells, and 2.5 &#956;l of DMSO to assay wells as vehicle control. Kinase solution was prepared in reaction buffer at 2× final assay concentration. Kinase solution (5 &#956;l) was added to each well of the assay plate. The substrate and ATP solution was prepared in kinase reaction buffer at 4× final assay concentration. The kinase reaction was started by adding 2.5 &#956;l of substrate+ATP mix solution to each well of the assay plate. The plate is mixed on a plate shaker; then covered and allowed to react for 2 hours in the dark at 25° C. without shaking. The reaction was stopped by adding 5 &#956;l of stop solution to each test well followed by mixing and incubation at RT for 10 minutes in the dark.
10855	1	Inhibition of Infectivity of Recombinant VSVs Expressing Glycoproteins from Zaire Ebolavirus, Sudan Ebolavirus, Bundybugyo Ebolavirus, and Lassa Arenavirus	Recombinant vesicular stomatitis viruses (VSVs) (serotype Indiana) expressing eGFP and EBOV, SUDV, or BDBV GP in place of VSV G, as well as those expressing RFP and LASV GP in place of VSV G (rVSV-EBOV/SUDV/BUDV/LASV GP) were produced, recovered, and amplified as described previously (Miller et al., EMBO J., 31: 1947-1960 (2012); Wong et al., J. Virol., 84: 163-175 (2010); Ng et al., Virology, 468-470: 637-646 (2014); Geisbert et al., PLoS Med., 2:e183 (2005)). The EBOV, SUDV, BDBV and LASV GP genes encoded by these viruses were derived from the following isolates: Genbank accession numbers NP_066246, YP_138523, YP_003815435, and ADY11070, respectively.The infectivity of the rVSVs expressing different viral glycoproteins in place of VSV G and the effect of added inhibitor were measured as follows. Vero or U2OS cells were seeded at 300,000 cells/ml in 50 &#956;l in 96-well black plates with clear bottoms. After 24 hrs, cells were treated with compounds in 3-fold serial dilution series starting at 200 &#956;M, followed by infection 1 hr later with appropriate rVSVs (e.g., rVSV-EBOV GP, rVSV-SUDV GP, rVSV-BDBV GP, or rVSV-LASV GP). The MOI ( 0.1 infectious units/cell) was chosen to keep the infection percentage between 40 and 60%. Cells were fixed with 4% formaldehyde at 12-14 hr post infection for 30 min prior to staining with Hoechst 33342 for 15 min at room temperature. Nuclei, and individual eGFP or RFP-positive cells were counted using a Cytation 3 automated fluorescence microscopy cell imager equipped with GFP, DAPI, and Texas Red filter cubes (BioTek Instruments, Inc., Winooski, Vt.). An example with PPZ2 (Chembridge #6179974) is shown in FIG. 2. The analog exhibits a high degree of selectivity for inhibition of infection by rVSV-EBOV GP (squares) as compared to rVSV-LASV GP (circles), and the nuclei count (triangles) remains nearly constant, reflecting low cytotoxicity of the compound.The rVSV assay was also used to compare the potency of MBX 3574 and MBX 3587 vs. rVSV-EBOV GP (squares), rVSV-SUDV GP (triangles), and rVSV-BDBV GP (circles) in FIG. 3. MBX 3574 and MBX 3587 are potent inhibitors of infection of Vero cells by rVSV carrying each of the three GP proteins, demonstrating a broad spectrum of anti-filoviral activity.
10855	2	Inhibition of Authentic Filovirus Infections in Cell Culture Assays	The authentic filoviruses Ebola virus/H. sapiens-tc/COD/1995/Kikwit-9510621 (EBOV/Kik-9510621; EBOV-Zaire 1995 ) (Jahrling et al., J. Infect. Dis., 179 Suppl 1:S224-234 (1999)), Sudan virus/H. sapiens-gp-tc/SDN/1976/Boniface-USAMRIID 111808 (SUDV/Bon-USAMRIID 111808; SUDV-Boniface 1976 ) (Anonymous, Ebola haemorrhagic fever in Sudan, 1976. Report of a WHO/International Study Team. Bull World Health Organ., 56(2): 247-270 (1978)), and Marburg virus/H. sapiens-tc/DEU/1967/Hesse-Ci67 (MARV/Ci67) (Towner et al., PLoS Pathog., 4(11): e1000212 (2008)) were used in these studies under BSL-4 containment and procedures. Vero cells were pre-treated with the inhibitor compound added to each well (or in replicate wells) in a dilution series (typically two-fold diluted, beginning with 25 or 50 &#956;M as the highest concentration) for 1 hour prior to addition of EBOV, SUDV or MARV at a multiplicity of infection (MOI) of 1 diluted in culture media. After a 1 hr incubation with virus, in the presence of inhibitor compound, virus inoculum was removed and replaced with fresh culture media containing compounds in a dilution series (typically two-fold diluted, beginning with 25 or 50 &#956;M as the highest concentration). At 48 h post-infection, cells were fixed with formalin, and blocked with 1% bovine serum albumin. EBOV-, SUDV- or MARV-infected cells and uninfected controls were incubated with EBOV GP-specific mAb KZ52 (Lee et al., Nature, 454:177-182 (2008)), SUDV GP-specific Ab 3C10 (Herbert et al., M Bio, 6: e00565-15 (2015)), or MARV GP-specific mAb 9G4 (Swenson et al., FEMS Immunol. Med. Microbiol., 40: 27-31 (2004)). Cells were washed with PBS prior to incubation with either goat anti-mouse IgG or goat anti-human IgG conjugated to Alexa 488. Cells were counterstained with Hoechst 33342 stain (Invitrogen), washed with PBS and stored at 4° C. Infected cells were quantitated by fluorescence microscopy and automated image analysis. Images were acquired at 20 fields/well with a 20× objective lens on an Operetta high content device (Perkin Elmer, Waltham, Mass.). Operetta images were analyzed with a customized algorithm built from image analysis functions available in Harmony software. Evaluation of the effects of MBX 3574 and MBX 3587 on the infectivity of authentic EBOV, SUDV, and MARV is shown in FIG. 5. Other analogs were analyzed in the same manner to confirm efficacy against infectious filoviruses.
10856	1	Human LOXL2 CCM Assay	LOXL2 amine oxidase activity was evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media (non BSA-containing) from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;L Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/ml Horseradish Peroxidase) were added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
10857	1	ZH2 biochemical assay (IC50)	Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentameric complex prepared in-house) was pre-incubated with 450 nM SAM, 450 nM 3H-SAM, 2 &#956;M H3K27me3 activating peptide (H2N-RKQLATKAAR(Kme3)SAPATGGVKKP-amide) and compounds (as 10 point duplicate dose response titrations in DMSO, final assay 0.8% DMSO (v/v)) for 3-5 h in 50 mM Tris (pH 8.5), 1 mM DTT, 0.07 mM Brij-35, 0.1% BSA, and 0.8% DMSO in a total volume of 12.5 &#956;l. Reaction was initiated with biotinylated H3 substrate peptide (H2N-RKQLATKAAR(Kme1)SAPATGGVKKP-NTPEGBiot) as a 2 &#956;M stock in 12.5 &#956;l of buffer and allowed to react at room temperature for 18-22 h. Quenching was accomplished by addition of 20 &#956;l of STOP solution (50 mM Tris (pH 8.5), 200 mM EDTA, 2 mM SAH). 35 &#956;l of the quenched solution was transferred to streptavidin coated FlashPlates (PerkinElmer), incubated 1-2 h, washed, and read in a TopCount Reader (PerkinElmer). IC50s were calculated in Genedata Screener using non-linear least square four parameter fits, where the four parameters were IC50, Hill slope, pre-transitional baseline (0% INH), and post-transitional baseline (100% INH).
10858	1	Assessing Antiviral Activity Against Human Cytomegalovirus (HCMV)	To assess their antiviral activity, some compounds were tested against human cytomegalovirus (HCMV) in vitro. Human MRCS cells were grown to confluency ( 1.0×10{circumflex over (&#8195;)}4 cells/well) in 96-well plate format in Dulbecco&#39;s Modified Eagle Medium (DMFM) supplemented with 10% fetal bovine serum (FBS) 2 mM L-glutamine, 0.1 mM non-essential amino acids, 10 mM HEPES, and 100 U/ml each of penicillin and streptomycin and infected with an HCMV variant expressing mCherry tagged pUL99 (the product of late viral UL99 gene) at a multiplicity of 0.01 infectious unit (IU) per cell. Assays were performed in triplicate. One hour later, medium of the cells was replaced with fresh medium containing the indicated compounds at 25, 12.5, 6.25, 3.13, 1.56, 0.78, 0.39 &#956;M or the carrier in which the compounds are dissolved (DMSO). Final concentration of DMSO was 0.5% in each treatment. Virus yield in the culture was determined at 7 days post infection by quantification of fluorescent (mCherry positive) cells in each well by fluorescent microscopy. Results were plotted using CDD Vault (CDD Vault was developed by Collaborative Drug Discovery, Inc., 1633 Bayshore Hwy, Suite 342, Burlingame, Calif. 94010) in order to calculate IC50s. 
10858	2	Assessing Antiviral Activity Against Influenza	To assess their antiviral activity, some compounds were tested against murine adapted human influenza (PR8) in vitro. Canine MDCK cells were grown to confluency ( 1.0×10{circumflex over (&#8195;)}4 cells/well) in 96-well plate format in Eagle&#39;s Minimal Essential Medium (EMEM) supplemented with 10% fetal bovine serum (FBS) and 100 U/ml each of penicillin and streptomycin. Wells were washed in 1×PBS and infected with an PR8 variant expressing mCherry downstream and separated by a 2A autocleavage site from the NS-1 protein at a multiplicity of 0.01 infectious unit (IU) per cell in serum free EMEM. Assays were performed in triplicate. One hour later, virus containing medium in the cells was replaced with fresh complete medium containing the indicated compounds at 25, 12.5, 6.25, 3.13, 1.56, 0.78, 0.39 &#956;M or the carrier in which the compounds are dissolved (DMSO) and supplemented with 2.5 &#956;g/ml TPCK trypsin. Final concentration of DMSO was 0.5% in each treatment. Virus yield in the culture was determined at 3 days post infection by quantification of fluorescent (mCherry positive) cells in each well by fluorescent microscopy. Results were plotted using CDD Vault (CDD Vault was developed by Collaborative Drug Discovery, Inc., 1633 Bayshore Hwy, Suite 342, Burlingame, Calif. 94010) in order to calculate IC50s. 
10859	1	ALK2 HTRF Assay	ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 &#956;L. The inhibitors were serially diluted in DMSO and added to the plate wells prior to addition of the other reaction components. The assays were carried out at 25° C. in the assay buffer (50 mM HEPES, pH 7.0, 10% Glycerol, 0.01% Brij50, 10 mM MgCl2, 1 mM EGTA, 5 mM DTT, and 0.01% BSA), containing 50 nM LANCE Ultra ULight-DNA Topoisomerase 2-alpha peptide (Perkin Elmer TRF0130), and 3 &#956;M ATP. The final concentration of DMSO in the assay was 1% and the enzyme concentration was 0.5 nM for ALK2. The reactions were allowed to proceed for 2 hr for ALK2 after which, the reaction was quenched by addition of EDTA at a final concentration of 20 mM along with 1.5 nM LANCE Ultra Europium-anti-phospho-DNA Topoisomerase 2-alpha (Thr1342) antibody (Perkin Elmer TRF0218). The reaction was incubated at 25° C. for 1 hr and read on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting percent control activity versus the log of the inhibitor concentration using the IDBS XLFit and GraphPad Prism 5.0 software.
10860	1	JAK/TYK2 Assay	10 mM test compound stock or 1 mM control compound stock (tofocitinib, ruxolitinib or staurosporine) in DMSO was diluted to 0.4 mM in DMSO. A 3-fold series dilution was then performed in DMSO to generate 10 different compound concentrations. The assay was carried out in 384-well white plate. 0.5 uL of 40× compound DMSO solution at different concentrations was mixed with 10 uL 2× enzyme prepared in reaction buffer (20 mM HEPES, 10 mM MgCl2, 0.01% Tween, 1 mM DTT, pH 7.5). 10 uL 2× substrate mixture prepared in reaction buffer was then added to start the reaction. A short spin was done to settle down all solutions to the bottom of the plate. Final concentrations of test compound in the reaction mixture were 10000, 3333, 1111, 370, 123, 41.2, 13.7, 4.57, 1.52 and 0.51 nM. Concentrations of control compound were ten times less. Enzymatic reaction was conducted at 25° C. for 1-2 hours. 10 uL of Kinase Glo Reagents was added to stop the reaction and generate the luminescent signal which was measured using Envision. Luminescence signal was inversely related to kinase activity. Reaction mixture which did not contain enzyme served as negative control. The mixture without any compound was the positive control. Final concentration of enzymes and substrates and incubation time are summarized in the table below.[enz] [ATP] [sub] timeJAK1 7.5 nM 2 uM 30 uM (IRS-1) 1 hrJAK2 0.8 nM 2 uM &#8194;4 uM (pEY) 1 hrJAK3 1.5 nM 2 uM &#8194;4 uM (pEY) 1 hrTYK2 &#8194;&#8201;9 nM 2 uM 30 uM (IRS-1) 1 hr
10861	1	Fluorescence Polarization (FP) Assay for Screening Compound Ligand Binders of CRBN-DDM	Measuring compound ligand binding to CRBN-DDB1 was carried out using an established sensitive and quantitative in vitro fluorescence polarization (FP) based binding assay. (See, I. J. Enyedy et al, J. Med. Chem., 44: 3134324, 2001). Compounds were dispensed from serially diluted DMSO stock into black 384-well compatible fluorescence polarization plates using an Echo acoustic dispenser. Compound binding to CRBN-DDB1 was measured by displacement of either a (&#8722;)-Thalidomide-Alexa Fluor or Pornalidomide-fluorescein conjugated probe dye. A 20 &#956;L mixture containing 400 nM CRBN-DDB1 and 5 nM probe dye in 50 mM Hepes, pH 7.4, 200 mM NaCl, 1% DMSO and 0.05% pluronic acid-127 acid was added to wells containing compound and incubated at room temperature for 60 min. Matching control wells excluding CRBN-DDB1 were used to correct for background fluorescence. Plates were read on an Envision plate reader with appropriate FP filter sets. The corrected S (perpendicular) and P (parallel) values were used to calculate fluorescence polarization (FP) with the following equation: FP=1000*(S&#8722;G*P)/(S+G*P).The fractional amount of bound probe (FB) to CRBN-DDB1 as a function of compound concentration was fitted according to Wang; FEBS Letters 360, (1995), 111-114 to obtain fits for parameter offsets and binding constant (KA) of competitor compound.
10863	1	In Vitro Enzymatic Activity Evaluation	The inhibitory activity of the test compounds against human IRAK4 was evaluated by measuring IC50 values in a 33P-labeled kinase activity assay (Reaction Biology Corp).Buffer conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO.Procedures: The test compound was dissolved in DMSO at room temperature to prepare a 10 mM solution for later use. The substrate was dissolved in fresh buffer, to which the kinase was added and mixed well. The DMSO solution containing the test compound was added to the above mixed reaction system by an acoustic technique (Echo 550). The concentrations of the compounds in reaction system were 10 &#956;M, 3.33 &#956;M, 1.11 &#956;M, 0.370 &#956;M, 0.123 &#956;M, 41.2 nM, 13.7 nM, 4.57 nM, 1.52 nM, and 0.508 nM. After 15 minutes of incubation, the reaction was started by adding 33P-ATP (activity: 0.01 &#956;Ci/&#956;L; the corresponding concentration is listed in Table 1). Supplier&#39;s catalog number, lot number and concentration information in the reaction system for IRAK4 and its substrate are listed in Table 1. After 120 minutes of reaction at room temperature, the resulting solution was loaded on P81 ion exchange chromatography paper sheet (Whatman #3698-915). After repeated washing with 0.75% phosphoric acid solution, the radioactivity of the phosphorylated substrate residue on the paper sheet was measured. The kinase activity data are shown as a comparison of the kinase activity of the test compound and the kinase activity of the blank (DMSO only) and a curve was fitted using Prism4 software (GraphPad) to give IC50 values.
10864	1	 PD1-PDL1 HTRF Binding Activity Test	The effect of compounds and positive compounds of the examples of the present invention on the interaction between PD-1 and PD-L1 was determined by the PD-1/PD-L1 binding assay kit from Cisbio (#64ICP01PEG or 64ICP01PEH). The detailed experimental process was as follows:1. Pre-diluted compound solution, 4 &#956;L of Tag1-PD-L1 and 4 &#956;L of Tag2-PD1 were added to each well of a 384-well plate;2. After the mixture was incubated at room temperature for 15 min, 5 &#956;L of anti-Tag1-Eu3+ antibody and 5 &#956;L of anti-Tag2-XL665 antibody were then added;3. After incubated for 2 hrs at room temperature or overnight at 4° C., plates were read on Envision of Pelkin Elmer; and readings at 665 nm and 620 nm were recorded, and the ratio of the two readings was taken as a reading for each well;4. The reading of each well after compound treatment was compared with the reading of DMSO treated wells to obtain the percent inhibition of the compound; and5. IC50 values of compounds and positive compounds of the examples of the present invention were determined by non-linear regression analysis of percent inhibition at different compound concentrations.
10865	1	SHP2 Allosteric Inhibition Assay	SHP2 possesses two N-terminal Src homology 2 (SH2) domains, a central protein-tyrosine phosphatase (PTP) domain, and C-terminal tail. At the basal state, SHP2 is auto-inhibited and access of substrates to the catalytic site is blocked by the intermolecular interactions between the SH2 domains and the PTP domain. When bis-tyrosyl-phosphorylated peptides bind to SH2 domain of SHP2, the PTP domain becomes available for substrate recognition and reaction catalysis and SHP2 is allosterically activated. SHP2 catalytic activity can be measured using a fluorogenic artificial substrate DiFMUP.The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffers containing 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, and 5 mM DTT.0.33 nM of STIP2 was co-incubated with of 0.5 &#956;M of bisphos-IRS 1 peptide (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) and various concentrations of compounds for 30-60 min at room temperature. Then the reaction was initiated by addition of the surrogate substrate DiFMUP (Invitrogen, Cat #D6567, 100 uM final).The real-time conversion of DiFMUP to DiFMU (6,8-difluoro-7-hydroxyl-4-methyl-coumarin) was measured every 5 min for 30 min using a microplate reader (CLARIOstar, BMG Labtech) with excitation and emission wavelengths of 340 nm and 450 nm, respectively. Initial reaction rates were determined by linear fitting of the data and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
10866	1	Inhibition by Candidate Inhibitors (High)	Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 &#956;L reaction volume by pre-incubating 0.5 nM Cbl-b in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA, and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for 1 hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional 1 hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the 1 hour incubation, the plates were read for TR-FRET signal at 520/620 nM using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
10866	2	Inhibition by Candidate Inhibitors (Low)	Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 46). Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 &#956;L reaction volume by pre-incubating 0.125 nM Cbl-b in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA, and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for 1 hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional 1 hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the 1 hour incubation, the plates were read for TR-FRET signal at 520/620 nM using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
10867	1	Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10868	1	Biochemical ATX Assay	5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and 0.1% bovine serum albumin. Test compounds were dissolved in DMSO and tested in the range of 0.1 nM to 10 &#956;M. The enzymatic reaction (22.5 &#956;L) was started by addition of 2.5 &#956;L 10 &#956;M 18:1 LPC (Avanti Lipids, Alabaster, Ala., USA). After 2-h incubation at room temperature, the reaction was stopped by addition of 20 &#956;L water containing 500 nM 20:4 LPA as internal standard and 100 &#956;L 1-butanol for extracting LPA. Subsequently, the plates were centrifuged at 4000 rpm, 4° C., for 2 min. The resultant upper butanol phase was directly used for injection at a RapidFire system (Agilent).
10869	1	In Vitro Enzyme Activity Assay	The substrate Z&#8242;-LYTE Ser/Thr 3 Peptide, the phosphorylation substrate Z&#8242;-LYTE Ser/Thr 3 Phospho-peptide, 1× kinase buffer (5× kinase buffer was diluted with ultra pure water by five times), ATP, Development Reagent A, Development Buffer, Stop Reagent were balanced to room temperature for use. The screening concentrations for detecting the effect of the compounds of the invention on the ERK kinase activity were seven 3-fold serial dilutions starting from 1 &#956;M (from 0.2 &#956;M for the positive drug control) using 4% DMSO as co-solvent. 5 &#956;L enzyme system (50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 0.01% Brij-35, 4 uM substrate, 0.8 ng/&#956;L enzyme), 2.5 &#956;L Compound, 2.5 &#956;L 400 &#956;M ATP were added into 384 well microplate, followed by incubation at room temperature for 60 min in the dark. After the reaction was completed, 5 &#956;l the developing agent (Development Reagent A) diluted with the developing buffer (Development Buffer) was added to all reaction wells, followed by incubation at the room temperature for 60 min in the dark. 5 &#956;L the terminating agent was added to each well to terminate the reaction. The fluorescence was determined using the multil-mode microplate reader PerkinElmer EnVision (excitation wavelength 400 nm, emission wavelength 460 nm and 528 nm).
10870	1	Inhibitory Activity Toward ALK5 Enzyme	1. Preparation of kinase buffer: 40 mM Tris (pH 7.5), 20 mM MgCl2, 0.10% BSA, 1 mM DTT.2. Preparation of the compound: the final concentration of the compound was 10 &#956;M, and the compound was prepared to a 100-fold concentration, i.e, 1 mM. 100 &#956;L compound of the 100-fold concentration was added to the second well of a 384-well plate, and 60 &#956;L of 100% DMSO was added to other wells. 30 &#956;L compound in the second well was transferred to the third well, and the compound was 3-fold diluted in sequence to give 10 different concentrations. 50 nL compound was transferred to a reaction plate by echo.3. Kinase reaction: the kinase was added to 1× kinase buffer to prepare 2× kinase solution. The final concentration of kinase solution was 25 nM of ALK5. Peptide TGFbR1 (purchased from Signal Chem, catalog number T36-58) and ATP were added to 1× kinase buffer to prepare 2× substrate solution. The final concentration of substrate solution was 0.1 mg/mL of polypeptide TGFbR1 and 7 &#956;M of ATP. 2.5 &#956;L of 2× kinase solution was added to a 384-well reaction plate (containing 50 nL compound dissolved in 100% DMSO), 1× kinase buffer was added to the negative control well. The reaction plated was incubated at room temperature for 10 minutes. 2.5 &#956;L of 2× substrate solution was added to the 384-well reaction plate. The 384-well plate was covered with a lid and incubate at 30° C. for 1 hour. ADP-Glo reagent (purchased from Promege, catalog number v9102) was equilibrated to room temperature. 5 &#956;L of ADP-Glo reagent was transferred to the reaction well of the 384-well plate to terminate the reaction.4. Determination of reaction results: 10 &#956;L of kinase detection reagent was added to each reaction well, the 384-well plate was shaken for 1 minute, and allowed to stand for 30 minutes at room temperature. The luminescence value of the sample was read by Synegy.5. Curve Fitting: the data of the luminescence reading was copied from the Synegy program. 
10871	1	Binding Assay	Briefly, 20 nL of compounds were transferred to the 384-well plate by Echo 550 liquid handler (Labcyte, USA), then 5 &#956;L of BRD4(BD1) (Reaction Biology Company, RD-11-157) solution or the assay buffer was added to each well. After incubating at RT for 15 min, 5 &#956;L of the biotinylated H4 derived acetylated peptide (synthesized by GL Biochem (Shanghai) Ltd) and 10 &#956;L of the detection solution (Cisbio Assay) were added to each well. After incubating for 1 h at RT, the HTRF signal was measure at 615 nm and 665 nm using the EnVision Multilabel Plate Reader (PerkinElmer, USA). Results were analyzed with a two-wavelength signal ratio: intensity (665 nm)/intensity (615 nm). The inhibition percentage in the presence of the compound was calculated according to the equation, Percent inhibition=(Max&#8722;Signal)/(Max&#8722;Min)*100%. Fit the data in GraphPad Prism V5.0 software (San Diego, Calif.) to obtain IC50 values with nonlinear regression analysis using equation, Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)×HillSlope), where Y stands for inhibition percentage and X stands for compound concentration.
10872	1	Binding Affinity Assay	Present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures. CHO cell membrane fraction in which human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor were expressed was purchased from PerkinElmer, Inc. In a test for evaluating binding affinity, a test compound dissolved in dimethylsulfoxide (DMSO) and each receptor membrane sample diluted in buffer were mixed with [3H]8-OH-DPAT, [3H]Ketanserin, or [3H]Spiperone (all purchased from PerkinElmer, Inc.) for 5-HT1A receptor, 5-HT2A receptor, and D2 receptor, respectively. Each mixture was incubated at room temperature for 60 minutes. Then, the mixture was added quickly on a glassfiber filter plate (Multiscreen FB, Millipore, Inc.) coated with 0.3% aqueous polyethylenimine, and vacuum-filtered. Radioactivity remaining on the filter was measured with a liquid scintillation counter (PerkinElmer, Inc.). Binding inhibition rate was calculated from the following formula.
10873	1	Biochemical Assay	SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluorescent product, 6,8-difluoromethylumbelliferone (DiFMU).SHP2 was pre-incubated with test compounds and the activating peptide pIRS1 (H2N-LN(pY)IDLDLV-(PEG)8-LST(pY)ASINFQK-amide) for 30 min, prior to addition of the 6,8-difluoromethylumbelliferyl phosphate (DiFMUP), (Thermo Fisher D6567). Final assay concentrations were 10 &#956;M SHP2, 0.25 &#956;M pIRS1 peptide, 50 &#956;M DiFMUP, 25 mM Bis-Tris propane, pH 7.0, 150 mM NaCl, 0.05% (v/v) Tween-20, 0.5 mM TCEP and 5% (v/v) DMSO. Rates of reaction were then measured over 30 min by monitoring fluorescence on a BMG Pherastar reader at excitation 360 nm/emission 450 nm. IC50 values were calculated from the normalized dose-response plots using four parameter logistic curve fit.
10874	1	PTPN11 Enzymatic Assay	Phosphatase activity of full length wild-type PTPN11(PTPN11-WT) or PTPN11-E76K mutant enzyme was measured using the fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP; Molecular Probes) as the substrate. Enzyme (250 pM) was incubated with or without increasing concentrations of compounds in assay buffer (62.5 mM HEPES, 125 mM NaCl, 1 mM EDTA, 1.25 mM TECP, 0.1% BSA) for 30 min at room temperature. Reaction was initiated by addition of DiFMUP (50 &#956;M) at room temperature in 384-well black plate with a final reaction volume of 20 uL in assay buffer. After 1 hour, DiFMUP fluorescence signal was measured (Ex:340/Em:460) using Envision plate reader. Dose-response curves were analyzed using IC50 regression curve fitting (GeneData Screener). Curves were normalized to a high controls without inhibitor, and low controls without enzyme. Results are given below in Table 1. Other compounds disclosed herein are expected to have activity similar to the results below, showing activity as PTPN11 inhibitors.
10875	1	Scintillation Proximity Assay	To determine the affinity of the compounds of the present invention a SPA is used. The assay is run in a 384-plate format (OptiPlate-384) where each well contains a mix of 5 &#956;L of test compound, 5 &#956;L NR1s1s2 (ligand binding domains of the NMDA receptor, MW 35.6 kDa, 0.075 ug/well final), 5 &#956;L [3H]-MDL-105,519 (radiolabelled, high affinity N-methyl-D-aspartate (NMDA) glutamate receptor antagonist at the glycine site, final concentration 5 nM, Kd=1.3 nM), 5 &#956;L streptavidin coated imaging beads (Perkin Elmer cat. No.: RPNQ0273, 8 ug/well). The assay buffer contains 100 mM HEPES-NaOH, 150 mM NaCl, 1 mM EDTA, 10% glycerol at pH 7.4 in ultra-pure water. Non-specific binding is defined by inclusion of 10 &#956;M L-689,560 (highly potent NMDA antagonist) and total binding by 1% DMSO. Following 30 minutes incubation in the dark (shaker, Multi-microplate Genie), the SPA beads are allowed to settle for 3 hours after which the signal is read on a Viewlux instrument (Perkin Elmer). Normalized data are used to calculate Ki values.
10876	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher (Catalogue #PV4011), ATP was purchased from Sigma (Catalogue #A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). Area plate was purchased from Perkin Elmer (Catalogue ##6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 &#956;M STK3 peptide substrate, and 5 &#956;M of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES Ph 7.5, 0.01% BRIJ-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 &#956;M ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. IC50 was determined by Xlfit 5.3.
10877	1	Inhibitory Activity Assay	The assays of BRD4 (D1) and BRD4 (D2) were conducted in a 384-well polystyrene plate. The test compounds were first serially diluted in DMSO and the test compound/DMSO were transferred to 384-well plates. The final concentration of DMSO in the assay was 0.1%. 2 volumes of protein/peptide mixture were added into 384-well plates, then 2 volumes of assay mixture were added, and shake for 30 s. The plate was incubated at room temperature for 2 h. Then the HTRF signal on EnVision was readed.
10878	1	3H-cGAMP Filtration Binding Assay	The compounds were serially titrated by the Hamilton STARPlus CORE in a 96-well plate (Greiner, #651201) using a 1:3 ten-point dose response format. After compound preparation, a 2.2 ug/ml working concentration of STING membrane (SEQ. ID. No. 1) was prepared by diluting concentrated membrane into assay buffer (lx PBS; Invitrogen #SH30028.02) and douncing 7× using a manual tissue homogenizer (Wheaton, #357546). 148 uL of prepared membrane was then manually added to each well of a 96-well deep-well polypropylene plate (Fisher Scientific, #12-566-121). Following membrane addition, 2 uL of either titrated test compound, DMSO control (Sigma #276855), or cold cGAMP control was added to the appropriate wells using a BIOMEK FX. Compound and membrane then preincubated for 60 min at RT to allow compound binding to equilibrate. Following equilibration, 8 nM of [3H]c-GAMP ligand was prepared by diluting into assay buffer, and 50 uL of this working stock was then manually added to each well of the assay plate. Plates were then incubated at RT for 60 min, and the contents of each assay plate were then filtered through a 96-well GF/B filter plate (PerkinElmer, #6005250) using a TOMTEC MACH III Cell Harvester equipped with 20 mM HEPES buffer (Fisher Scientific, #BP299500). The filter plates were then dried at 55° C. for 30 min using a pressurized oven before 30 uL of ULTIMA GOLD F scintillate was added to each well. Tritium levels for each reaction well were then measured using a PerkinElmer TopCount plate reader.
10879	1	Protocol for Fluorescent Polarization assay	Compound activity was monitored in a fluorescence polarization (FP) homogeneous assay using 1 -[5-({2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1 ,3-dioxo-2,3-dihydro-1 H-isoindol-4-yl]oxy}acetamido)ethoxy]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2-[(1 E,3E)-5-[(2E)-1 ,3,3-trimethyl-5-sulfo-2,3-dihydro-1 H-indol-2-ylidene]penta-1 ,3-dien-1 -yl]-3H-indol-1 -ium-5-sulfonate as a fluorescent probe. Unless otherwise stated, all reagents were purchased from Sigma Aldrich. Enzymatic reactions were conducted in Perkin-Elmer Black 384 well ProxiPlate Plus (catalogue no. 6008269) in 10 &#956;L total volume. Full length wild-type cereblon CRBN (80.0 nM, 10 &#956;L) was incubated in assay buffer containing 20 mM HEPES (pH 8.0), 1 50 NaCl, 0.5 mM TCEP and 0.05% Tween 20 in the presence or absence of compound (300 nL). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System. Compounds and DMSO were dispensed using the Echo E5XX (Labcyte Inc. USA) to give concentrations from 300 to 0.937 or 3000 to 9.3 nM in a 1 2 data point curve. Mutant YWAA CRBN (80.0 nM, 10 &#956;L) which does not interact with the fluorescent probe was used as a negative control for the assay. Following incubation at room temperature for 30 min, the assay was initiated by dispensing the probe to a final concentration of 5 nM (2.5 nL of a 20 pM stock) using the Echo E5XX. FP was measured after a period of 1 2 hours using a Pherastar plate reader (BMG Labtech, Germany) exciting at 590 nm and measuring the amount of parallel and perpendicular light at 675 nm. The FP signal was subsequently normalized to the no-compound control (i.e., DMSO). Analysis and IC50 values were derived using Dotmatics (Dotmatics UK) software.
10880	1	Nrf2-Keapl Biochemical Assay Protocol	In a first step, the Keapl /compound complex was prepared by addition of 100 nL of the compound by ECHO 555, followed by 5 pL aliquots of 2x Keapl. This mixture was incubated for 15 minutes at room temperature. In a second step, the Keapl/Nrf2 complex was prepared by adding 5 p L aliquots of 2x Nrf2 to the same mixture and incubating again for 15 minutes at room temperature. 5 pL of anti HIS-Tb was then added, followed by the addition of 5 pL of 4x streptavidin-XL665. After incubation at 4°C for 2hours, TR-FRET measurements were made on Pherastar FS (optic module HTRF 337/620/665nM).
10881	1	in vitro CPE(CytoPathic Effect)	Texts are published in Japanese.
10882	1	IPOne assay	 In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chinese hamster ovary (CHO) cells expressing human OX1R and/or the human OX2R were grown in Iscoves modified DMEM containing glutaMAXTM, 1% G418, 100 U/mL penicillin, 100 µg/mL streptomycin and 10 % heat-inactivated qualified fetal bovine serum (FBS). The OX2R cells were seeded at 10,000 cells/well/50 µL and the OX1R cells were seeded at 20,000 cells/well/50 µL into 384-well white tissue culture plates (Greiner; cat# 781080). All cell/media reagents were from GIBCO-Invitrogen Corp. The seeded cell plate(s) were incubated at 37°C with 5% CO2 and 85% humidity for 20-24 hours. On the day of the assay, assay-ready compound plates were prepared using an acoustic liquid handler (ECHO; Labcyte), which dispensed sufficient volume of test compound stock (10 mM in DMSO) or 100% DMSO to prepare 10 point, -log dilutions in a final volume of 202.5 nL/well in all test wells of a 384-well diamond plate (Labcyte). Following completion of assay-ready plates, importantly, the next three steps were performed with minimal delay: 1) 20 µl of 1x stimulation buffer was added to the compound plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat# 24073290); 2) culture medium was removed from the cell plate using the Bluewasher plate washer (gentle spin; BlueCatBio); 3) 14 µ l of compound/stimulation buffer mixture was added to the cell plate using a Bravo liquid handler (Agilent) prior to incubating cell plates at 37oC with 5% CO2 and 85% humidity for 1 or 2 hours (OX1R and OX2R, respectively). During this incubation, IP-one detection reagents were prepared (38:1:1 lysis buffer:D2:AB-cryptate reagents). Six µL of mixed detection reagents were added to the cell plate using a Multidrop Combi (small cassette, Thermo Fisher Scientific cat #24073290) and incubated 60 minutes at room temperature in the dark. Fluorescence signal was detected using an Envision plate reader (Perkin Elmer) [LANCE/DELFIA Dual Enh (Em: APC 665; Ex: Cy5620)].
10883	1	Chamber Assay of CFTR-mediated short-circuit currents	ssing chamber experiments were performed using human bronchial epithelial (HBE) cells derived from CF subjects heterozygous for F508del and a minimal function CFTR mutation (F508del/MF-HBE) and cultured as previously described (Neuberger T, Burton B, Clark H, Van Goor F Methods Mol Biol 2011:741:39-54). After four days the apical media was removed, and the cells were grown at an air liquid interface for >14 days prior to use. This resulted in a monolayer of fully differentiated columnar cells that were ciliated, features that are characteristic of human bronchial airway epithelia. To isolate the CFTR-mediated short-circuit (ISC) current, F508del/MF-HBE grown on Costar Snapwell cell culture inserts were mounted in an Ussing chamber and the transepithelial ISC was measured under voltage-clamp recording conditions (Vhold= 0 mV) at 37 oC. The basolateral solution contained (in mM) 145 NaCl, 0.83 K2HPO4, 3.3 KH2PO4, 1.2 MgCl2, 1.2 CaCl2, 10 Glucose, 10 HEPES (pH adjusted to 7.4 with NaOH) and the apical solution contained (in mM) 145 NaGluconate, 1.2 MgCl2, 1.2 CaCl2, 10 glucose, 10 HEPES (pH adjusted to 7.4 with NaOH) and 30 µM amiloride to block the epithelial sodium channel. Forskolin (20 µM) was added to the apical surface to activate CFTR, followed by apical addition of a CFTR inhibitor cocktail consisting of BPO, GlyH-101 and CFTR inhibitor 172 (each at 20 µM final assay concentration) to specifically isolate CFTR currents. The CFTR-mediated ISC (µA/cm2) for each condition was determined from the peak forskolin response to the steady-state current following inhibition.
10884	1	Probe Displacement Assay	The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corresponding to amino acids 556-871 of human TYK2 (sequence shown below) at 5 nM, 33 nM probe (BB, preparation described below) and 0.33 mg/mL Yttrium oxide (YOx) His-capture SPA beads (PerkinElmer, RPNQ0276) in IX PBS containing 10 mM MgCl2, 0.1 mg/mL BSA, 0.1 mM TCEP, 0.005% Tween-20, and 1% DMSO (final concentration) were incubated for 10 hours at room temperature. The amount of radiolabeled probe bound to TYK2 was then quantified using a ViewLux Microplate Imager, and the fraction bound by the test compound calculated by comparison to wells containing scale references for 0% and 100% probe displacement. The IC50 value is defined as the concentration of test compound required to inhibit radiolabeled probe binding by 50%.
10885	1	PHH Natural Infection Assay	 Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million cells) is thawed in 37 oC water bath and then transferred to 20 mL of PHH thawing medium (Sigma, InVitroGRO HT Medium, Cat. S03319) with gently mixing. The cells were then centrifuged at 80 g/min for 5 min, the supernatant was discarded and the tube was refilled with 25 mL of PHH plating medium (Sigma , InVitroGRO CP Medium, Cat. S03317). The tube was shaken very gently to re-suspend all cells, and then 50 µl of cells were transferred to each well 384-well collagen I coated plate withappropriate liquid handling equipment, e.g. Integra VI AFL0384 or Agilent Bravo. The cells were then cultured for 24 hours in a cell incubator. For HBV infection, after PHH attachment on the culture plate, the plating medium was removed and replenished with PHH culture medium containing HBV virus. The PHH culture medium was prepared with Dulbecco&#39;s Modified Eagle Medium (DMEM)/F12 (1: 1 in volume ratio) containing 10% fetal bovine serum (Gibco, Cat.10099141), 5 ng/mL human epidermal growth factor (Gibco, Cat.PHG0311L), 20 ng/mL dexamethasone (Sigma, Cat.D4902-100mg), 250 ng/mL human recombinant insulin (Gibco, Cat.41400045) and 100 U/mL penicillin. HBV virus at 200 genome equivalent (GE) per cell with 4% PEG8000 (Sigma, Cat.P1458) containing culture medium were added to the PHH culture medium for infection. The cells were then cultured for 24 hours in cell incubator. Then the cell culture supernatant was removed. The HBV-infected PHH were cultured with sandwich culture method with PHH culture medium containing 1% DMSO and 0.25 mg/mL matrix gel for 72 hours. The supernatant was then refreshed with PHH culture medium containing different concentrations of testing compounds for two times with 72-hour interval. At the end of treatment, the supernatant was collected for viral markers measurements, including HBsAg, HBeAg, HBV DNA and cytotoxicity. HBsAg and HBeAg were detected using alphalisa method using their specific antibodies. For HBV DNA detection, HBV DNA Quantitative Fluorescence Diagnostic Kit (Sansure Biotech Inc.) was used following the manufacture s protocol.
10886	1	PHH Natural Infection Assay	Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million cells) is thawed in 37 °C water bath and then transferred to 20 mL of PHH thawing medium (Sigma, InVitroGRO HT Medium, Cat. S03319) with gently mixing. The cells were then centrifuged at 80 g/min for 5 min, the supernatant was discarded and the tube was refilled with 25 mL of PHH plating medium (Sigma, InVitroGRO CP Medium, Cat. S03317). The tube was shaken very gently to re-suspend all cells, and then 50 &#956;L of cells were transferred to each well 384-well collagen I coated plate with appropriate liquid handling equipment, e.g. Integra VIAFL0384 or Agilent Bravo. The cells were then cultured for 24 hours in a cell incubator. For HBV infection, after PHH attachment on the culture plate, the plating medium was removed and replenished with PHH culture medium containing HBV virus. The PHH culture medium was prepared with Dulbecco&#39;s Modified Eagle Medium (DMEM)/F12 (1: 1 in volume ratio) containing 10% fetal bovine serum (Gibco,Cat.10099141), 5 ng/mL human epidermal growth factor (Gibco, Cat.PHG0311L), 20 ng/mL dexamethasone (Sigma, Cat.D4902-100mg), 250 ng/mL human recombinant insulin (Gibco,Cat.41400045) and 100 U/mL penicillin. HBV virus at 200 genome equivalent (GE) per cell with 4% PEG8000 (Sigma, Cat.P1458) containing culture medium were added to the PHH culture medium for infection. The cells were then cultured for 24 hours in cell incubator. Then the cell culture supernatant was removed. The HBV-infected PHH were cultured with sandwichculture method with PHH culture medium containing 1% DMSO and 0.25 mg/mL matrix gel for 72 hours. The supernatant was then refreshed with PHH culture medium containing different concentrations of testing compounds for two times with 72-hour interval. At the end of treatment, the supernatant was collected for viral markers measurements, including HBsAg, HBeAg, HBV DNA and cytotoxicity. HBsAg and HBeAg were detected using alphalisa method using their specific antibodies. For HBV DNA detection, HBV DNA Quantitative Fluorescence Diagnostic Kit (Sansure Biotech Inc.) was used following the manufacture s protocol. Cytotoxicity was determined using Cell Counting Kit-8 (CCK8, Dojindo Molecular Technologies, Inc.).
10887	1	PHH Natural Infection Assay	Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million cells) is thawed in 37 °C water bath and then transferred to 20 mL of PHH thawing medium (Sigma, InVitroGRO HT Medium, Cat. S03319) with gently mixing. The cells were then centrifuged at 80 g/min for 5 min, the supernatant was discarded and the tube was refilled with 25 mL of PHH plating medium (Sigma , InVitroGRO CP Medium, Cat. S03317). The tube was shaken very gently to re-suspend all cells, and then 50 m&#912; of cells were transferred to each well 384-well collagen I coated plate with appropriate liquid handling equipment, e.g. Integra VIAFL0384 or Agilent Bravo. The cells were then cultured for 24 hours in a cell incubator. For HBV infection, after PHH attachment on the culture plate, the plating medium was removed and replenished with PHH culture medium containing HBV virus. The PHH culture medium was prepared with Dulbecco&#39;s Modified Eagle Medium (DMEM)/F12 (1: 1 in volume ratio) containing 10% fetal bovine serum (Gibco, Cat.10099141), 5 ng/mL human epidermal growth factor (Gibco, Cat.PHG0311L), 20 ng/mL dexamethasone (Sigma, Cat.D4902- 1 OOmg), 250 ng/mL human recombinant insulin (Gibco, Cat.41400045) and 100 U/mL penicillin. HBV virus at 200 genome equivalent (GE) per cell with 4% PEG8000 (Sigma, Cat.P1458) containing culture medium were added to the PHH culture medium for infection. The cells were then cultured for 24 hours in cell incubator. Then the cell culture supernatant was removed. The HBV-infected PHH were cultured with sandwich culture method with PHH culture medium containing 1% DMSO and 0.25 mg/mL matrix gel for 72 hours. The supernatant was then refreshed with PHH culture medium containing different concentrations of testing compounds for two times with 72 -hour interval. At the end of treatment, the supernatant was collected for viral markers measurements, including HBsAg, HBeAg, HBV DNA and cytotoxicity. HBsAg and HBeAg were detected using alphalisa method using their specific antibodies. For HBV DNA detection, HBV DNA Quantitative Fluorescence Diagnostic Kit (Sansure Biotech Inc.) was used following the manufacture s protocol. Cytotoxicity was determined using Cell Counting Kit-8 (CCK8, Dojindo Molecular Technologies, Inc.).
10888	1	PHH Natural Infection Assay	 Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million cells) is thawed in 37 oC water bath and then transferred to 20 mL of PHH thawing medium (Sigma , InVitroGRO HT Medium, Cat. S03319) with gently mixing. The cells were then centrifuged at 80 g/min for 5 min, the supernatant was discarded and the tube was refilled with 25 mL of PHH plating medium (Sigma , InVitroGRO CP Medium, Cat. S03317). The tube was shaken very gently to re-suspend all cells.50 &#956;l of cells were transferred to each well 384-well collagen I coated plate with appropriate liquid handling equipment, e.g. Integra VIAFLO384 or Agilent Bravo. The cells were then cultured for 24 hours in a cell incubator. For HBV infection, after PHH attachment on the culture plate, the plating medium was removed and replenished with PHH culture medium containing HBV virus. The PHH culture medium was prepared with Dulbecco&#39;s Modified Eagle Medium (DMEM)/F12 (1: 1 in volume ratio) containing 10% fetal bovine serum (Gibco, Cat.10099141), 5 ng/mL human epidermal growth factor (Gibco, Cat.PHG0311L), 20 ng/mL dexamethasone (Sigma, Cat.D4902-100mg), 250 ng/mL human recombinant insulin (Gibco, Cat.41400045) and 100 U/mL penicillin. HBV virus at 200 genome equivalent (GE) per cell with 4% PEG8000 (Sigma, Cat.P1458) containing culture medium were added to the PHH culture medium for infection. The cells were then cultured for 24 hours in cell incubator. Then the cell culture supernatant was removed. The HBV-infected PHH were cultured with sandwich culture method with PHH culture medium containing 1% DMSO and 0.25 mg/mL matrix gel for 72 hours. The supernatant was then refreshed with PHH culture medium containing different concentrations of testing compounds for two times with 72-hour interval. At the end of treatment, the supernatant was collected for viral markers measurements, including HBsAg, HBeAg, HBV DNA and cytotoxicity. HBsAg and HBeAg were detected using alphalisa method using their specific antibodies. For HBV DNA detection, HBV DNA Quantitative Fluorescence Diagnostic Kit (Sansure Biotech Inc.) was used following the manufacture s protocol. Cytotoxicity was determined using Cell Counting Kit-8 (CCK8, Dojindo Molecular Technologies, Inc.).
10889	1	PHH Natural Infection Assay	Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million cells) is thawed in 37 oC water bath and then transferred to 20 mL of PHH thawing medium (Sigma , InVitroGRO HT Medium, Cat. S03319) with gently mixing. The cells were then centrifuged at 80 g/min for 5 min, the supernatant was discarded and the tube was refilled with 25 mL of PHH plating medium (Sigma , InVitroGRO CP Medium, Cat. S03317). The tube was shaken very gently to re-suspend all cells.50 &#956;l of cells were transferred to each well 384-well collagen I coated plate with appropriate liquid handling equipment, e.g. Integra VIAFLO384 or Agilent Bravo. The cells were then cultured for 24 hours in a cell incubator. For HBV infection, after PHH attachment on the culture plate, the plating medium was removed and replenished with PHH culture medium containing HBV virus. The PHH culture medium was prepared with Dulbecco&#39;s Modified Eagle Medium (DMEM)/F12 (1: 1 in volume ratio) containing 10% fetal bovine serum (Gibco, Cat.10099141), 5 ng/mL human epidermal growth factor (Gibco, Cat.PHG0311L), 20 ng/mL dexamethasone (Sigma, Cat.D4902-100mg), 250 ng/mL human recombinant insulin (Gibco, Cat.41400045) and 100 U/mL penicillin. HBV virus at 200 genome equivalent (GE) per cell with 4% PEG8000 (Sigma, Cat.P1458) containing culture medium were added to the PHH culture medium for infection. The cells were then cultured for 24 hours in cell incubator. Then the cell culture supernatant was removed. The HBV-infected PHH were cultured with sandwich culture method with PHH culture medium containing 1% DMSO and 0.25 mg/mL matrix gel for 72 hours. The supernatant was then refreshed with PHH culture medium containing different concentrations of testing compounds for two times with 72-hour interval. At the end of treatment, the supernatant was collected for viral markers measurements, including HBsAg, HBeAg, HBV DNA and cytotoxicity. HBsAg and HBeAg were detected using alphalisa method using their specific antibodies. For HBV DNA detection, HBV DNA Quantitative Fluorescence Diagnostic Kit (Sansure Biotech Inc.) was used following the manufactures protocol. Cytotoxicity was determined using Cell Counting Kit-8 (CCK8, Dojindo Molecular Technologies, Inc.).
10890	1	Binding of Examples to Transthyretin - EC50 Determination	TTR SPA binding assays were performed in a final volume of 60 mI containing 100 ng human TTR (biotinylated recombinant protein) coupled to 25 pg SPA beads (streptavidin coated, Perkin Elmer, RPNQ0007) and 50 nM [3H] tafamidis (Moravek, MT-1003033), plus varying concentrations of test compound or vehicle. Briefly, assays were prepared at room temperature in 384-well plates (Corning, 3767) containing 200 nl_ of test compound in DMSO (or DMSO as vehicle). The plates also contained wells with a saturating concentration of unlabeled ligand (200 nl_ of 3 mM tafamidis or 3 mM thyroxine in DMSO) for measuring non-specific binding. Assays were initiated by addition of 20 mI of 5 mg/mL TTR protein in assay buffer (10 mM Tris pH 7.5, 150 mM NaCI, 0.25% Triton X-100) and 20 mI_ of 150 nM [3H] tafamidis in assay buffer. The plates were incubated 1 hour prior to addition of 20 mI_ of 1.25 mg/ml_ SPA beads diluted in assay buffer. The assays were incubated an additional 10 hours to allow binding to reach equilibrium and the amount of receptor-ligand complex was determined by liquid scintillation counting using a 1450 Microbeta Trilux (Wallac). The % effect values for test wells were calculated based on the total binding (vehicle, 0% effect) and non-specific binding (unlabeled ligand, 100% effect) wells on each assay plate. ECso values were then determined using a standard 4 parameter logistic dose response equation.
10890	2	KD Determination by SPR	Affinity and Reversibility -The binding affinity and kinetics of binding were measured using Surface Plasmon Resonance based binding assay. These experiments were carried out on Bruker SPR MASS-1 and MASS-2 instruments. There was no significant difference in results obtained on both these instruments. Bap-tagged TTR protein was captured on a Streptavidin coated sensor chip to achieve about 2000 to 3000 RUs of surface density. All the samples were prepared in buffer consisting of 10 mM Sodium Phosphate, pH 7.6, 100 mM KCI, 0.005% Tween-20 and 2% DMSO. The same buffer was used as the running buffer during the experiments. Compound samples were injected at a flow rate of 30 pL/min for 90 seconds of association time followed by at least 240 seconds of dissociation period. The compounds were tested in a concentration series consisting of at least 6 samples (usually 10) made with 5-fold, 3-fold, or 2-fold dilution. The highest concentration was 10 mM or selected based on compound binding affinity observed in a previous experiment. Multiple blank injections were run before and after each compound series to allow double reference subtraction during data processing and analysis. Tafamidis or another compound with >10 replicates was tested in every experiment as a positive control to assess activity of the captured protein on the surface. A DMSO curve was run during each experiment to properly correct for excluded volume. The data were processed and analyzed using Bruker Analyzer and Scrubber to calculate binding affinities by fitting the data to 1:1 binding model. The binding parameters obtained for tafamidis binding to TTR (n=24) are listed below. Tafamidis binds to TTR in a reversible manner with calculated residence time of around 40 seconds.
10891	1	UDP-Glo Glucosylceramide Synthase Biochemical Assay	 Using Promega s UDP-Glo Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 µg crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 µM; Promega), at concentrations equivalent to 2x Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction. The generated light was detected using a luminometer. Random luminescence values (RLUs) were normalized to mean min and max effects, as determined on each plate. Min was defined as the mean of the values of the wells treated with vehicle (DMSO) and which represent 0% inhibition; max was defined as the mean of the values of the wells treated with a reference inhibitor and which represent the 100% effect. Values for %Emax and EC50 were determined by best-fitting the normalized data to a curve in Activity Base along a four-parameter logistic nonlinear regression (4PL) model (based on the Levenberg-Marquardt algorithm and defined by the equation below):where: n is 4PMin (bottom of the curve); m is 4PMax (top of the curve); i is IP (inflection point of curve); and p is slope. See Levenberg, K., A Method for the Solution of Certain Problems in Least Squares , Quart. Appl. Math.2, (1944), pp 164 168 and Marquardt, D., An Algorithm for Least Squares Estimation on Nonlinear Parameters , SIAM J. Appl. Math.11, (1963) pp 431 441.
10892	1	Activity Assays	The ability of the sphingo sine analogs presented herein to kill Pseudomonas aeruginosa in vitro, and based on the data shown below, concluded that the SPH analogs presented herein are highly efficient in killing bacteria. Compounds 791598 and 791577 were used as activity assay control references. To determine whether the sphingosine analogs presented herein can be metabolized by ceramide synthases (CerS natural sphingosine is a substrate for CerS), their N-acylation using 14C labeled CoA as a substrate was examined. The results confirmed that neither 791995 nor 791996 could be N-acylated, demonstrating that these SPH analogs are not substrates for CerS, and indicating that there is no concern that N-acylation might be an off-target effect (raw data and results not shown).
10893	1	The CDK8/CDK19 Inhibitor DBA-8 Rescues Proliferation of RPS19-Deficient Erythroid Progenitor Cells	The results presented in Example 3 and in particular the KinomeScan indicate that the activity of DBA-7 in our proliferation assay was due to inhibition of CDK8 and/or CDK19. Since DBA-4 also inhibited CDK19 (FIG. 4), we hypothesized that CDK8 and/or CDK19 is the common target of the active compounds in the thienopyridine series.To confirm CDK8 and/or CDK19 as therapeutic targets for rescuing proliferation of RPS19-deficient cells, the activity of structurally different molecules with the same kinase target profile in the proliferation rescue assay was tested. A group of selective CDK8/CDK19 inhibitors were previously described in a paper by Porter et al. (Nat. Acad. Sci. Proc. 2012, 109, 13799-13804). Compound DBA-9 (described as Senexin B in WO 2013/116786) has a very similar kinase inhibition profile as DBA-7. We therefore tested the structurally similar and commercially available CDK8/CDK19 inhibitor DBA-8 (described as Senexin A by Porter et al. 2012) in our proliferation rescue assay.
10894	1	In Vitro DGAT2 Assay and Determination of IC50 Values for DGAT2 Inhibitors	For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 &#956;L. To 1 &#956;L of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 &#956;L of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, Calif.). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.Background activity obtained using 50 &#956;M of ((R)-1-(2-((S)-1-(4-chloro-1H-pyrazol-1-yl)ethyl)-3H-imidazo[4,5-b]pyridin-5-yl)piperidin-3-yl)(pyrrolidin-1-yl)methanone (WO 2013150416, Example 196-A) for complete inhibition of DGAT2 was subtracted from all reactions. Inhibitors were tested at eleven different concentrations to generate IC50 values for each compound. The eleven inhibitor concentrations employed typically included 50, 15.8, 5, 1.58, 0.50, 0.16, 0.05, 0.016, 0.005, 0.0016, and 0.0005 &#956;M. The data were plotted as percentage of inhibition versus inhibitor concentration and fit to the equation, y=100/[1+(x/IC50)z], where IC50 is the inhibitor concentration at 50% inhibition and z is the Hill slope (the slope of the curve at its inflection point).
10895	1	SSAO Activity Assay	Amine oxidase activity of recombinant hSSAO, hMAO-A, and hMAO-B isoforms are measured using the MAO-Glo assay kit (Promega, V1402). Ten nL test compounds (with DMSO as vehicle, 0.1% v/v for hSSAO, hMAO-A and hMAO-B) were added into assay plates by Echo, and pre-incubated with 5 &#956;L of enzyme for 30 mins at room temperature before the addition of 5 &#956;L of luminogenic substrate. The substrate concentration is 40 &#956;M for human recombinant SSAO, 40 &#956;M for human recombinant MAO-A, and 4 &#956;M for human recombinant MAO-B. The hSSAO and hMAO-A assays were conducted in the MAO-A reaction buffer in the kit, and the MAO-B assay was conducted in the MAO-B reaction buffer. Oxidation of the substrate was conducted for 1 hr, before the addition of detecting reagent according the manufacture&#39;s protocol. The IC50 value of the tested compounds was calculated by fitting the dose response curve using a 4-parameter non-linear regression routine.
10896	1	ALA Assay	AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only gives signal when the beads are in close proximity to each other. When the tau monomer (target) is incubated it forms higher order aggregates (dimer, trimer, tetramer, etc) so that when the donor and acceptor beads bind to the epitope tags of tau they are in close proximity and generate signal.Tau target (equal mixture of each construct at 300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated in 96-well plates at room temperature for 4 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). AlphaLisa acceptor beads & donor beads with ligands to the epitope tags (Perkin Elmer) were diluted (final 20 ug/mL per bead) in bead buffer (25 mM HEPES pH 7.4, 100 mM NaCl, 0.1% Tween-20), added to the wells and incubated 1 hour at room temperature. The positive control (non-incubated target) & blank (no tau) were prepared and mixed with beads in bead buffer and the plate was read immediately using the EnVision plate reader (Perkin Elmer).
10896	2	CONFA Assay	Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The assay is performed using a similar procedure as ALA except that it utilizes SDS-PAGE for visualization and quantification of tau monomer and aggregated species (dimer, trimer, tetramer, pentamer, etc.). Only a single construct of tau without epitope tags is necessary, but the assay can use the same target prepared for the ALA assay also.For the CONFA assay, Tau target (300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated at room temperature for 3 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). Samples were mixed with an equal volume of 2×SDS sample buffer (4% SDS, 20% glycerol, 0.004% bromphenol blue, 125 mM Tris HCl, pH 7.0) to resolve tau monomer and disulfide-linked oligomers on 4-20% gradient polyacrylamide gels (Biorad) along with positive control (non-oligomerized tau target). The gels were stained with Oriole Fluorescent Gel Stain (BioRad) and imaged using the FluorChem R system (Protein Simple). AlphaView software (Protein Simple) was used for quantification of tau monomer and oligomers.
10897	1	biochemical assay using the ADP-Glo technology	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate.A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column1) add 2× rxn buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l. The plate was quickly centrifuged and the reaction was incubated at 30° C. for 30 minutes. Adding 5 &#956;l of ADP-Glo terminated the reaction. The plate was quickly centrifuged and the reaction was incubated at room temperature for 40 minutes. Kinase Detection Reagent was then added and incubated at room temperature for 30 minutes. The relative light unit (RLU) of kinase reaction was determined by luminescent (Luminescence 0.1 s) using a Wallac Victor2 Luminometer (PerkinElmer, Waltham, Mass., USA).
10898	1	Presto-Tango -Arrestin Recruitment Assay	Binding of the parent compounds to putative receptors CNR1 and CNR2 (cannabinoid receptors 1& 2) was measured by a Presto-Tango assay (FIG. 5A and FIG. 5B). These receptors are responsible for many downstream effects of marijuana derivatives as well as other endocannabinoids that have been previously reported in literature and this study explores if our compounds bind to these receptors. HTLA were received from the Roth Lab and CNR1 and CNR2 plasmids were purchased from Addgene. HTLA cells were maintained in DMEM with 10% FBS containing 2 &#956;g/mL of puromycin and 100 &#956;g/mL of hygromycin B at 37° C. in a 5% CO2 humidified air atmosphere and grown to 80-90% confluency. Cells were then seeded at 20,000 cells per 100 uL into poly-L-lysine coated 96-well plate. After 18-24 hrs, cells were transfected with CNR2 (0.1 ug/well) using Calfectin as the transfection reagent. Transfection media was replaced after 12-18 hours with serum-media and proceeded for 36 hours. On the day of the assay, serum-media was replaced with serum-free media for 4 hours, then the compounds were added in a log dose manner in DMSO to a final well volume of 200 uL and incubated overnight. The next day, media was removed and 20 &#956;L of Bright-Glo solution was added to the cells and incubated for 20 min at room temperature in the dark and measured for luminescence. Relative luminescence units (RLU) values were normalized to % receptor response, plotted as a function of compound concentration and analyzed using DoseResp in OriginPro.
10899	1	IDO1 Enzymatic Assay	Recombinant IDO1 was overexpressed and purified from E. coli cells with an N-terminal His tag. IDO1 enzymatic assay was carried out using a methodology similar to described in the literature (J. Biol. Chem. (1980), 255, 1339-1345). The reaction mixture contains 50 nM IDO1, 1.3 mM D-tryptophan, 5 mM L-ascorbic acid, 6.25 M methylene Blue, 0.4 mg/mL catalase and compound (or DMSO) in a buffer containing 50 mM potassium phosphate pH 7.5 and 0.1% BSA. After incubation at 24° C. for 1.5 hours, absorbance of the reaction mixture was continuously read at 321 nm to monitor the formation of N&#8242;-formylkynurenine by a FULOstar OMEGA plate reader (BMG LABTECH) for 1 hour. The enzymatic activity was determined by measuring the slope of the linear absorbance increase as a function of time. The IC50s are calculated based on remaining enzyme activity in the presence of increasing concentrations of compounds.
10900	1	CDK2/Cyclin E1 HERE Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Cama Product Number 04-165). Assays are conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) is incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/ml BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions are stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals are read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data is analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound.
10901	1	Evaluation of Antiviral Activity of Compounds Against Human Coronavirus (HCov) 229E	Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of compounds was calculated based on the protection of the virus-induced CPE at each concentration normalized by the virus control.Reagents and instruments used in this assay include luminescent cell viability assay kit CellTiter Glo (Promega) and Microplate Reader Synergy2 (BioTek).Virus HCoV 229ECytopathic effect (CPE) was measured by CellTiter Glo following the manufacturer&#39;s manual. The antiviral activity of compounds was calculated based on the protection of the virus-induced CPE at each concentration normalized by the virus control.
10901	2	Evaluation of Antiviral Activity of Compounds Against COVID-19 (nCoV-2019, SARS-CoV2) Mpro in the Enzymatic Assay	Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-tagged Mpro (NC_045512) was cloned, expressed in E. coli and purified. The assay buffer contained 20 mM of Tris-HCl (pH 7.3), 100 mM of NaCl, 1 mM of EDTA, 5 mM of TCEP and 0.1% BSA. The final concentrations of the Mpro protein and substrate were 25 nM and 25 &#956;M, respectively, in the Mpro enzymatic assay. The Km of the Mpro substrate for the protease was 13.5 &#956;M.The compounds were added to an assay plate. For 100% inhibition control (HPE, hundred percent effect), 1 &#956;M GC376 was added. For no inhibition control (ZPE, zero percent effect), no compound was added. Each activity testing point had a relevant background control to normalize the fluorescence interference of compound.IC50 values of compounds were calculated with the GraphPad Prism software using the nonlinear regression model of log(inhibitor) vs. response Variable slope (four parameters). The inhibition activity was calculated using the formula below, IC50 values was calculated using the Inhibition % data.Inhibition %=[(Sample&#8722;Average ZPE)/(Average HPE&#8722;Average ZPE)]*100%#HEP: Hundred percent effect controls. Containing substrate+enzyme+1 &#956;M GC376.ZPE: Zero percent effective controls. Containing enzyme+substrate, no compound.
10902	1	Activity on Human GSK-3beta	The activity on human GSK-3&#946; of the compounds of the invention listed in the following Table 1 and of the comparison compound C was assessed at five concentrations ranging from 10 &#956;M to 1 nM with ten-fold dilutions in duplicate using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).Human recombinant enzyme GSK-3&#946; was incubated for 90 minutes at 22° C. in the presence of compounds or vehicle in a reaction buffer containing ATP plus 100 nM unphosphorylated specific substrate peptide (Ulight-CFFKNIVTPRTPPPSQGK-amide). Substrate phosphorylation was measured by LANCE technology (PerkinElmer, CT, USA).The IC50 values (concentration causing a half maximal inhibition of control specific activity) were determined by non-linear regression analysis of the inhibition curves generated with mean replicate values using Hill equation curve fitting.
10902	2	Selectivity on hERG Channel 	Confirmation of interaction with the potassium channels of the compounds of the invention listed in the following Table 1 and of the comparison compound C was made by means of the automated whole-cell patch clamp test described in Mathes, C. (2006), Expert Opin. Ther. Targets, 10 (2): 230-241 using the recombinant human cell line CHO-K1, which stably expresses the hERG ion channel.The IC50 values (concentration causing a half maximal inhibition of control specific activity) were determined at five concentrations ranging from 100 &#956;M to 10 nM with ten-fold dilutions in duplicate.The degree of inhibition (%) was obtained by measuring the tail current amplitude, which is induced by a one second test pulse to &#8722;40 mV after a two second pulse to +20 mV, before and after drug incubation (the difference current was normalized to control and multiplied by 100 to obtain the percent of inhibition). Concentration (log) response curves were fitted to a logistic equation (three parameters assuming complete block of the current at very high test compound concentrations) to generate estimates of the 50% inhibitory concentration (IC50).
10903	1	RET Enzyme Assay	The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio&#39;s HTRF Kinease-TK assay technology. The kinases were incubated with 250 nM TK-substrate biotin (CisBio, part of cat #62TK0PEC) at Km ATP along with test compounds in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using DMSO only samples (no compound present), and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
10904	1	Scintillation Proximity Assay	The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PDE4A1, PDE4B3, PDE4C1, and PDE4D3 enzyme activity by compounds in vitro. The PDE4A1, PDE4B3, PDE4C1, and PDE4D3 assays are run in parallel using identical parameters, except for the concentration of enzyme (80 &#956;M PDE4A3, 40 &#956;M PDE4B3, 40 &#956;M PDE4C1 and 10 &#956;M PDE4D). The assays are performed in a 384-well format with 50 uL assay buffer (50 mM TRIS pH7.5; 1.3 mM MgCl2; 0.01% Brij) containing enough PDE4A3, PDE4B1, PDE4C1, and PDE4D to convert 20% of substrate (1 &#956;M cAMP consisting of 20 nM 3H-cAMP+980 uM cold cAMP) and a range of inhibitors. Reactions are incubated for 30 min at 25° C. The addition of 20 uL of 8 mg/ml yitrium silicate SPA beads (Perkin Elmer) stops the reaction. The plates are sealed (TopSeal, Perkin Elmer) and the beads are allowed to settle for 8 hrs, after which they are read on the Trilux Microbeta overnight.
10905	1	JAK Caliper Enzyme Assay at 1 mM ATP	Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
10906	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzym1 (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
10907	1	Luciferase Reporter Assay	HEK293-A2AR-luc2p/CRE/Hygro cells were seeded at a density of 5,000 cells/well in DMEM with 1% FBS and 1 U/mL adenosine deaminase (ADA) (Sigma). After 18 h, the cells were treated with 3 nM CGS21680 plus a series dilution of A2AR antagonist, the compounds disclosed herein at the concentration of 0.1 10000 nM, prepared in DMEM with 1% FBS. After 5 h incubation, the luciferase activity in cells were measured using the Bright-Glo Luciferase Assay System (Promega) according to manufacturer&#39;s instructions. The luminescence signal was measured using a PHERAstar FS plate reader (BMG Labtech). Luminescence intensity from 10 &#956;M preladenant treatment was set as 0%. Maximal luminescence intensity was determined in the presence of 3 nM CGS21680 and was set as 100%. The IC50 value was calculated from a dose dependent inhibition curve across the range of compound concentrations.
10907	2	Adenosine Receptor Binding Assay	Binding affinity of test compounds to four human adenosine receptors, A1, A2A, A2B and A3 was determined in radioligand competitive binding assay (conducted by Cerep, France) using following protocols. For A1 receptor (A1R), membrane homogenates from CHO cells transfected with A1R were incubated for 60 min at 22° C. with 1 nM [3H]DPCPX in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA/Tris and 2 UI/mL ADA. For A2AR, membrane homogenates from HEK293 cells transfected with A2AR were incubated for 120 min at 22° C. with 6 nM [3H]CGS21680 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2, and 2 UI/mL ADA. For A2B receptor (A2BR), membrane homogenates from HEK293 cells transfected with A2BR were incubated for 60 min at 22° C. with 5 nM [3H]CPX in the absence or presence of the test compound in a buffer containing 10 mM Hepes/Tris (pH 7), 1 mM MgCl2, and 1 mM EDTA. For A3 receptor (A3R), membrane homogenates from HEK293 cells transfected with A3R were incubated for 120 min at 22° C. with 0.15 nM [125I] AB-MECA in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA and 2 UI/mL ADA. Nonspecific binding was determined in the presence of unlabeled 1 &#956;M DPCPX, 10 &#956;M NECA, 100 &#956;M NECA, and 1 &#956;M IB-MECA in A1R, A2AR, A2BR, A3R binding assays, respectively. Following incubation, the samples are rapidly filtered and washed with ice-cold 50 mM Tris-HCl. Then filters are dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). Duplicate experiments were performed for each assay. The results are expressed as a percent inhibition of control radioligand specific binding.Mouse BBB Assay
10908	1	TBD	TBD
10909	1	Biochemical binding TR-FRET assay	The assay was constructed such that GST tagged Mcl-1 protein, was incubated with a Europium-labeled anti-GST antibody and a HyLite Fluor 647-labeled peptide corresponding to the BH3 domain of BIM. Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 &#956;M or 10 &#956;M compound concentration. Specifically, human Mcl-1 enzyme from Mcl-1 (E171-G327) was cloned into an overexpression vector, expressed as an N-terminal GST-tagged fusion protein in E. coli and subsequently purified via Glutathione Sepharose-affinity and size-exclusion chromatography. The assay was performed in 384-Well LV plates (Greiner cat #784075) and run in the presence and absence of the compound of interest. Each well of 12 &#956;L assay mixture contained 10 mM Tris (pH 7.4), 1.0 mM DTT, 0.005% Tween-20, 150 mM NaCl, 10% DMSO, and 1.5 nM GST Mcl-1, 0.5 nM LanthaScreen Eu tagged GST antibody (Invitrogen Catalog #PV5594), 4.0 nM HyLite Fluor 647-labeled BIM peptide [C(Hilyte647 C2 Maleimide)-WIAQELRRIGDEFN (SEQ ID NO:1)]. Reactions were incubated at 24° C. for 90 min before reading on a Tecan M1000 spectrfluorometer with excitation at 340 nm and emission at 612 nm & 665 nm. Subsequently, ratio of fluorescent emission intensity at 665 nm to 612 nm was calculated for each reaction, and the dose-response of the ratio to testing compound concentration was fitted to a select fit model that will provide the best fit quality using automatic parameter to derive IC50 values for each testing compound. Table 9 provides the results from the TR-FRET Mcl1 binding assay. 
10910	1	HIV Single-Cycle Assay	24 hours prior to infection, CEM human T lymphoblast cells (ATCC, Manassas, Va.) were plated in assay media (MEM supplemented with 10% FBS, 1% penicillin/streptomycin (all Mediatech, Manassas, Va.) and 1% DMSO (Sigma-Aldrich, St Louis, Mo.)) were plated at a density of 5×105 cells/mL (5×104 cells/well) in white 96-well plates. Serially diluted compounds were added to cells and incubated overnight at 37° C., 5% CO2. The following day, cells were infected with VSV-G pseudotyped HIV NL4-3, in which parts of the env and nef were genes replaced with Renilla-luciferase, and infected cells were incubated for 72 h at 37° C., 5% CO2. Viral inoculum was titrated to achieve a Renilla-luciferase signal of approximately 100× fold over background. Antiviral activity was measured by addition of 100 ul of Renilla-Glo reagent (Promega, Madison, Wis.) to infected cells. After a 10 min incubation at RT, luminescence was measured on a Victor X3 multi-label plate reader (Perkin Elmer, Waltham, Mass.). Cytotoxicity of uninfected parallel cultures was determined by addition of 100 &#956;l CellTiter-Glo reagent (Promega, Madison, Wis.), and incubation for 10 mins at RT. Luminescence was measured on a Victor X3 multi-label plate reader.
10910	2	Inhibition of HIV Reverse Transcriptase	Recombinant full length HIV-1 Reverse Transcriptase (HIVrt) was purchased from Abcam, catalog #ab63979. The last 385 nucleotide region of the HCV anti-genome complementary to the 5&#8242; untranslated region (c5&#8242;UTR) was synthesized using T7 RNA polymerase Megascript kit from Ambion (Cat #AM1333). A DNA oligo served as an internal initiation primer and was purchased from IDT. Unless otherwise specified, reaction samples consisted of 20 nM c5&#8242;UTR RNA, 100 nM DNA primer, and 1 nM HIVrt, mixed together in a buffer containing 50 mM Tris pH 7.5, 100 mM KCl, 4 mM dithiothreitol (DTT), and 12.5 mM MgCl2. Reactions were initiated at 30° C. by adding 0.1 &#956;M adenosine triphosphate (dATP), 0.1 &#956;M cytosine triphosphate (dCTP), 1 &#956;M guanosine triphosphate (dGTP), and 0.32 &#956;M 3H-thymidine triphosphate (3H-TTP), in a final volume of 50 &#956;L. After 40-mins incubation, the reaction was terminated by adding 60 &#956;l of chilled 20% (w/v) trichloroacetic acid with 500 &#956;M ATP to precipitate nucleic acids. After incubation at 4° C. for 1 h, the sample underwent filtration on a multiscreen BV 1.2-&#956;m 96-well plate (Millipore). 40 &#956;L Microscint-20 (Perkin Elmer) was added to the well and the counts in the sample were determined by a Trilux Microbeta microplate scintillation reader (Wallac).All data were analyzed with GraphPad Prism. The compound concentration at which the enzyme-catalyzed rate was reduced by 50% (IC50) was calculated by fitting the data to the equation Y=% Min+(% Max&#8722;% Min)/(1+X/IC50), where Y corresponds to the percent relative enzyme activity, % Min is the residual relative activity at saturating compound concentration, % Max is the relative maximum enzyme activity, and X corresponds to the compound concentration. The Ki was calculated using the Cheng-Prusoff equation assuming competitive inhibition relative to natural dNTP incorporation: Ki=IC50/(1+[dNTP]/Km), where [dNTP] is the concentration of natural dNTP and Km is the apparent Km for dNTP. The standard HIVrt RNA-dependent DNA polymerization (RdDp) assay was used to determine the IC50 values.
10910	3	Inhibition of HBV	Determination of 50% inhibitory concentration (EC50) of compounds in HCV replicon cells were performed by the following procedure. On the first day, cells were seeded at 30,000 cells per 100 &#956;L well in Biocoat collage coated flat bottom 96 well plates. On the following day, test compounds were solubilized in 100% DMSO to 100× the desired final testing concentration. Each compound was then serially diluted (1:3) up to 9 different concentrations. Compounds in 100% DMSO are reduced to 10% DMSO by diluting 1:10 in assay media. The final DMSO concentration was 1%. The cells were incubated at 37° C. for 72 hours.The antiviral activity was measured using a quantitative kinetic reverse transcription-polymerase chain reaction (RT-PCR) assay directly measuring the HBV viral copy numbers from the supernatant of HepG2.117 cells. EC50 was defined as the concentration of compound at which the HBV viral copy numbers from the HepG2.117 cells was reduced 50% relative to its level in the absence of compound. HBV viral copy numbers are normalized to the level observed in the absence of inhibitor, which was defined as 100%.
10911	1	STING SPA Binding Assay	The human STING SPA binding assay measures displacement of tritium labeled 2&#8242;, 3&#8242;cGAMP (cyclic (guanosine-(2&#8242;&#8594;5&#8242;)-monophosphate-adenosine-(3&#8242;&#8594;5&#8242;)-monophosphate) to biotinylated STING protein. A soluble version of recombinant STING was expressed in E.coli that lacks the four transmembrane domains and contains residues 139-379 of Q86WV6 with an R at position 232 (H232R). Based on the allele frequency of 58% of the population, H232R is considered to be wild type (Yi, et. al., Single Nucleotide Polymorphisms of Human STING can affect innate immune response to cyclic dinucleotides PLOS ONE. 2013, 8(10), e77846). The STING construct has an N-terminal HIS tag, followed by a TEV protease cleavage site and an AVI tag to allow directed biotinylation by BirA biotin ligase (Beckett et al., A minimal peptide substrate in biotin holoenzyme synthetase-catalyzed biotinylation. (1999) Protein Science 8, 921-929). The HIS tag is cleaved after purification and prior to biotinylation.The assay was run in 1536-well plates in a total volume of 8 &#956;L per well by adding 8 nM [3H]-2&#8242;3&#8242;-cGAMP and 40 nM biotin-STING protein in assay buffer [25 mM HEPES (Corning 25-060-C1) pH 7.5, 150 mM NaCl (Sigma S5150), 0.5 mg/mL BSA (Gibco 15260-037), 0.001% Tween-20 (Sigma P7949), molecular grade water (Corning 46-000-CM)]. Test compounds (80 nL) were added with an acoustic dispenser (EDC Biosystems) in 100% DMSO for a final assay concentration of 1% DMSO. Plates were centrifuged for 1 min and incubated for 60 min at room temperature. Finally, (2 &#956;L) polystyrene streptavidin SPA beads (PerkinElmer RPNQ0306) were added and plates were sealed and centrifuged for 1 min at room temperature. Plates were dark adapted for 2 h and read on a ViewLux (Perkin Elmer) for 12 min per plate. A saturation binding curve for [3H]-2&#8242;3&#8242;-cGAMP showed a KD of 3.6±0.3 nM for binding to STING, comparable to reported values for the natural ligand (Zhang et al., Cyclic GMP-AMP containing mixed phosphodiester linkages is an endogenous high-affinity ligand for STING.Other natural ligands including cyclic-di-GMP also returned values in this assay within the expected range. Reference compound is cGAMP and results are reported as percent inhibition and ICso values. Binding to mouse STING used a construct similar to the one described above containing residues 138-378 of Q3TBT3.
10911	2	STING SPR Binding Assay	Compounds were analyzed on an 5200 biacore SPR instrument (GE Healthcare). E.coli produced truncated STING protein was immobilized on a series S streptavidin chip via biotin capture (GE Healthcare #BR100531) with. Compounds were screened at 1:2 dilutions from 100 uM to 0.195 uM in run buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 0.005% P20, 1 mM TECEP). Steady state affinity and kinetic evaluations were carried out using 1:1 binding model (STING was treated as a dimer). Run parameters were as follows: 60 sec on, 300 sec off for the IFM compounds, cyclic-di-GMP (60 sec on/60 sec off), thiol isomer 1 (60 sec on/300 sec off) and cGAMP (60 sec on/1200 sec off) with a flow rate of 50 &#956;L/min and data collection at 40 Hz at 25 &#9633;C.
10911	3	Thermofluor	Thermofluor.
10912	1	Isopeptidase Assay for Estimating Inhibitor Potency	FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of &#945;2-antipiasmin. FXIIIa catalyzes by its isopeptidase activity the release of dark quencher dinitrophenyl at the original substrate glutamine position resulting in fluorescence increase (based on the N-terminal 2-aminobenzoyl fluorescent dye) (Oertel K, HunfekJ A, Specker E, Reiff C, Seitz R, Pasternack R, Dodt J. A highly sensitive fluorometric assay for determination of human coagulation factor XIII in plasma. Anal Biochem 2007; 367:152-8.)Briefly, 12 &#956;L recombinant cFXIII-A2 (T027, Zedira GmbH, Darmstadt, Germany) or FXIII-A2B2 derived from human plasma (T007) (25 &#956;g/mL) and 3 &#956;L human &#945;-thrombin (0.5 U/mL, T056, Zedira) were mixed with 270 &#956;L assay buffer (50 mM Tris-HCl, 10 mM CaCl2), 150 mM NaCl, 5.56 mM glycine methyl ester, 5 mM DTT, pH 7.5) containing 55 &#956;M A101 substrate. The mixture was incubated for 20 min at room temperature to activate FXIII. 15 &#956;L of inhibitor solution (serial dilution from 1.25 &#956;M to 1.25 nM) dissolved in DMSO/assay buffer were added, mixed and the kinetic measurement started after 3 min. Fluorescence emission was monitored at 418 nm (&#955;ex=313 nm) and 37° C. for 30 min using a CLARIOstar fluorescence micro plate reader (BMG Labtech, Ortenberg, Germany). For measurements without inhibitor, 15 &#956;L of assay buffer/2% (v/v) DMSO were added. All measurements were performed in triplicate. The respective IC50 values were calculated by non-linear regression using the MARS software package (BMG Labtech).
10912	2	Transamidation Assay for Determining Inhibitor Selectivity	The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously expressed throughout the human body. To determine selectivity, the fluorescence increase upon transglutaminase-catalyzed incorporation of dansylcadaverine into the universal transglutaminase substrate N,N-dimethylcasein was used (Lorand L, Lockridge O M, Campbell L K, Myhrman R, Bruner-Lorand J. Transamidating enzymes. Anal Biochem 1971; 44: 221-31.).Briefly, 15 &#956;L of recombinant transglutaminase enzyme[5] [15 &#956;g/mL hTG1 (T035, Zedira), 69 &#956;g/mL hTG2 (T022), 29 &#956;g/mL hTG6 (T021), 18 &#956;g/mL hTG7 (T011)] were mixed with 270 &#956;L assay buffer containing dansylcadaverine and N,N-dimethyl casein. In the case of FXIII, 12 &#956;L cFXIII (25 &#956;g/mL) and 3 &#956;L human &#945;-thrombin (0.5 U/mL, T056, Zedira) were mixed with 270 &#956;L assay buffer. The mixture was incubated for 20 min at room temperature to activate FXIII. In the case of TG3 78 &#956;g hTG3 (T024) were activated using 14 &#956;g dispase II (Roche, Mannheim, Germany) in the presence of 1.4 mM CaCl2) and incubated for 30 min at 25° C. The activated hTG3 was subsequently assayed as described above. 15 &#956;L of inhibitor solution dissolved in DMSO/assay buffer were added, mixed and the kinetic measurement started after 3 min. Fluorescence emission was continuously monitored for 30 min at 500 nm (&#955;ex=330 nm) and 37° C. using the CLARIOstar fluorescence plate reader. All measurements were performed in triplicate. The respective IC50 values were calculated by non-linear regression using the MARS software package (BMG Labtech, Ortenberg, Germany).
10913	1	LRRK2-G2019S Kinase activity assay	The measurements of the activities were made using a LRRK2-G2019S(human) Kinase activity assay as described hereunder. The potency of compounds was evaluated in vitro using the Lanthascreen technology (ThermoFisher Scientific). The biological assay requires the DYKDDDDK-tagged full-length LRRK2 G2019S protein, the fluorescent peptide substrate named LRRKtide or ERM (RLGRDKYKTLRQIRQ sup&#956;Lied by PolyPeptide Group), the ATP substrate, and different concentrations of test compounds. In a typical experiment, the reaction assay buffer contains 50mM Tris pH8.2, 1mM EGTA, 2.5mM MgCI2, 0.05% Triton X100, 0.15% BSA and 1 mM DTT. The detection of the assay is performed using 1 nM Terbium labeled anti-phospho-LRRKtide (ThermoFisher Scientific) diluted in a TR-FRET buffer (ThermoFisher Scientific). The experimental procedure was performed with Greiner small volume 384-well. The assay is started by a pre-incubation step of full-length LRRK2 G2019S mutant protein with reaction assay buffer and a dilution series of test compound for at least 30 minutes at room temperature. The working solution of compounds was prepared in a separate Greiner micro&#956;Late. The kinase reaction was initiated by addition of the ATP/LRRKtide substrate mix diluted in the reaction assay buffer. The reaction mix was incubated for at least 10 minutes at room temperature (initial velocity conditions). Reaction was stopped by addition of Terbium labeled anti-phospho-LRRKtide diluted into the detection buffer sup&#956;Lemented with EDTA (ThermoFisher Scientific). Plates are incubated for at leastn30 minutes at room temperature and read on an Envision&#153; multimode &#956;Late reader (PerkinElmer) with LanthaScreen&#153;. The TR-FRET 520:495 nm emission ratio was calculated and used to determine the IC50 value from a dose response curve fit to the 4-parameter logistic equation. The activity with respect to LRRK2 kinase in this test is given by the concentration which inhibits 50% of the LRRK2 activity (or IC50) in nM.
10913	2	LRRK2 WT assay B	 LRRK2(human) is incubated with 50 mM HEPES pH 8.0, 0.2 mM EDTA, 0.01 %Brij-35, 1% (w/v) BSA, 5 mM DTT, 250 Mm RLGRDKYKTLRQIRQ, 10 mM Magnesium acetate and [8-33P]-ATP (specific activity and concentration as required).The reaction is initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%. 10&#956;L of the reaction is then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.
10914	1	MCL-1/Noxa BH3 Peptide (MCL-1 Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose MCL-1 (amino acids 173-321, N-terminal fused to Maltose Binding Protein (MBP) SEQ ID 1) and a synthetic Noxa BH3-derived peptide of sequence Biotin-PEG2-PEG2-PAELEVE-Nva-ATQLRRFGDKLNFRQKLL-amide (SEQ ID 2) served as protein receptor and tracer ligand respectively. The MBP-MCL-1 was purchased from Beryllium (Bedford, Mass., USA). The expression and purification of this protein construct has been described elsewhere (DOI:10.1371/journal.pone.0125010). The Noxa BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany), 50812.1.In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;L of a 2.5-fold concentrated MBP-MCL-1 solution (usually for a 1 nM end concentration in 5 &#956;L reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between MBP-MCL-1 and the compounds. After that, 3 &#956;L of a 1.67-fold concentrated solution (in assay buffer) consisting of Noxa BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-MBP-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of MCL-1/Noxa complexes was determined by measuring the resonance energy transfer of the anti-MBP-Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of MCL-1/NOXA complexes present.
10914	2	BCL-XL/Bad BH3 Peptide (BCL-XL Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-XL (amino acids 1-212, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 3) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-XL protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;L of a 2.5-fold concentrated His-BCL-XL solution (usually for a 1 nM end concentration in 5 &#956;L reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-XL and the compounds. After that, 3 &#956;L of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of BCL-XL/Bad complexes was determined by measuring the resonance energy transfer of the anti-His-Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of BCL-XL/Bad complexes present.
10914	3	BCL-2/Bad BH3 Peptide (BCL-2 Assay)	The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) was determined using a steady state binding competition assay with time-resolved fluorescence energy transfer (TR-FRET) readout. For that purpose BCL-2 (amino acids 1-211, C-terminal fused to a hexahistidine (6×His) tag (SEQ ID 5) and a synthetic Bad BH3-derived peptide of sequence Biotin-PEG2-PEG2-NLWAAQRYGRELRR-Nle-SDEFVDSFKK-amide (SEQ ID 4) served as protein receptor and tracer ligand respectively. The recombinant BCL-2 protein (expressed in E. coli) was purchased from BPS Bioscience (San Diego, Calif., USA). The Bad BH3-derived peptide can be obtained from e.g. Biosyntan (Berlin, Germany).In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 &#956;M, 0.51 &#956;M, 1.7 &#956;M, 5.9 &#956;M and 20 &#956;M) were typically measured as duplicates in the same microtiter plate. For that, 100-fold concentrated DMSO solutions were prepared by serial dilutions (1:3.4) of a 2 mM stock solution in a clear, 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany). From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay was initiated by addition of 2 &#956;L of a 2.5-fold concentrated His-BCL-2 solution (usually for a 1 nM end concentration in 5 &#956;L reaction volume) in aqueous assay buffer [50 mM Tris/HCl pH 7, 100 mM sodium chloride (NaCl), 50 mM potassium fluoride (KF), 0.005% Tween-20, 2 mM DTT, 0.1% bovine gamma globulin (BGG)] to the compounds in the assay plate. This was followed by a 10-minute incubation step at 22° C. for pre-equilibration of the putative complex between His-BCL-2 and the compounds. After that, 3 &#956;L of a 1.67-fold concentrated solution (in assay buffer) consisting of Bad BH3-derived peptide (1 nM end concentration) and TR-FRET detection reagents [1.67 nM anti-His-Eu cryptate and 1.67 nM streptavidin-XL665 (both from Cisbio Bioassays, Codolet, France)], were added.The mixture was incubated in the dark for one hour at 22° C. and then overnight at 4° C. The formation of BCL-2/Bad complexes was determined by measuring the resonance energy transfer of the anti-His-Eu-cryptate antibody to the streptavidin-XL665 present in the reaction. For that purpose, the fluorescence emission at 620 nm and 665 nm after excitation at 330-350 nm was measured in a TR-FRET measuring instrument, for instance a Rubystar or a Pherastar (both from BMG Lab Technologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emission at 665 nm and at 622 nm was used as indicator of the amount of BCL-2/Bad complexes present.
10915	1	chemotaxis assay	Optionally, compounds may be further assayed for their ability to inhibit chemotaxis in cells. Chemotaxis assays are performed using 5 &#956;m pore polycarbonate, polyvinylpyrrolidone-coated filters in 96-well chemotaxis chambers (Neuroprobe; Gaithersburg, Md.) using chemotaxis buffer (Hank&#39;s balanced salt solution (HBSS) and 1% FBS). C5aR ligands (i.e., C5a, R&D Systems; Minneapolis, Minn.) are use to evaluate compound mediated inhibition of C5aR mediated migration. Other chemokines (i.e., SDF-1&#945;; R&D Systems; Minneapolis, Minn.) are used as specificity controls. The lower chamber is loaded with 29 &#956;l of chemokine (i.e., 0.03 nM C5a) and varying amounts of compound; the top chamber contains 100,000 U937 or neutrophil cells in 20 &#956;l. The chambers are incubated 1.5 hours at 37° C., and the number of cells in the lower chamber quantified either by direct cell counts in five high powered fields per well or by the CyQuant assay (Molecular Probes), a fluorescent dye method that measures nucleic acid content and microscopic observation.
10916	1	Enzyme (COXs) Inhibition Assay	The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound&#39;s capacity to inhibit the conversion of arachidonic acid to prostaglandin. In test tubes, 25 mM Tris-HCl, pH 8.0, containing 5 mM EDTA, phenol, and 1 mM hematin was added. The test compounds were dissolved in DMSO and added in concentrations ranging from 0.005-200 &#956;M. Dimethyl sulfoxide alone was applied to control test containers. COX-1 or COX-2 enzymes were added to the test tubes, which were then preincubated for 10 minutes at 37° C. The arachidonic acid substrate was added, and the tubes were further incubated at 37° C. for 2 minutes. The compound&#39;s immunochemical assay was used to calculate the amount of prostaglandin produced. Three separate experiments were used to calculate the IC50 values.
10917	1	5HT2a ASSAY	Evaluation of the affinity of compounds for the human 5-HT2A receptor in transfected HEK-293 cells determined in a radioligand binding assay. Cell membrane homogenates (30-50 &#956;g protein) were incubated 15 min at 37° C. with 0.5 nM [3H]ketanserin in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4). Nonspecific binding was determined in the presence of 1 &#956;M ketanserin. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester. The filters were dried then counted for radioactivity in a scintillation counter using a scintillation cocktail (WO2005013952A1, EP1500391A1[ab1], incorporated in its entirety by reference).
10917	2	Inhibition of Dextromethorphan Metabolism	Dextromethorphan O-demethylase activity was determined in human liver microsomes. Sarpogrelate (1.0E-8 M to 3.0E-5 M) or M&#8722;1 (concentration: 3.0E-9 M to 1.0E-5 M) and dextromethorphan were dissolved in acetonitrile and serially diluted with acetonitrile to the required concentrations to give a final organic solvent concentration of 1.0% in the incubation mixture. The incubation mixtures contained pooled human liver microsomes (final concentrations: 0.25 mg/ml), dextromethorphan, and a NADPH-generating system (1.3 mM NADP+, 3.3 mM glucose 6-phosphate, 3.3 mM MgCl2, and 0.4 U/ml glucose-6-phosphate dehydrogenase). After incubation and centrifugation, the supernatant was diluted 100-fold with acetonitrile and then injected into the LC-MS/MS system. All incubations were performed in triplicate, and mean values were used for analysis. The IC50 values (concentration causing a half-maximal inhibition of control specific binding) and Hill coefficients (nH) were determined by non-linear regression analysis of the competition curves generated with mean replicate values using Hill equation curve fitting.
10918	1	Z-LYTE biochemical assay	Z&#8242;-LYTE biochemical assay employs a fluorescence resonance energy transfer (FRET)based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. Both ends of the short peptide substrate are labeled with two fluorescent groups to form a FRET paired combination. In the primary reaction (the Kinase Reaction), the kinase transfers the &#947;-phosphate of ATP to a single serine or threonine residue on the short peptide substrate. In the secondary reaction (the development reaction), the non-phosphorylated short peptides were recognized and cleaved by a site-specific protease (the development reagent). Phosphorylated short peptides can resist such cleavage. Cleavage of short peptides can disrupt the donor (such as coumarin) and receptor fluorophores (fluorescein) on the short peptides, while the phosphorylated short peptides can maintain FRET. The calculation method of the ratio is as follows, and the ratio of the respective emission signals generated by the donor fluorophores emitted (after excitation at 400 nm) to the receptors is calculated. Emission signal ratio=emitted light by coumarin (445 nm)/emitted light by fluorescein (520 nm). If the FRET short peptide is phosphorylated (such as no kinase inhibitor), the emitted light ratio will remain in a lower level. If the FRET short peptide is non-phosphorylated (such as kinase inhibitor), the emitted light ratio will be in a higher level. In this way, the inhibitory effects of different compound inhibitors on BTK kinase activity would be distinguished.The experiment were carried out according to the instructions of the Z&#8242;-LYTE kinase test kit-tyrosine 1 peptide. Reagent preparation: 1.33× kinase buffer: 5× kinase buffer was diluted with water to 1.33× kinase buffer; an enzyme solution: the kinase was dissolved in 1.33× kinase buffer with the final working concentration being 3.32 nM; a short peptide solution: a short peptide stock solution (1 mM dissolved in DMSO) was dissolved in 1.33× kinase buffer with the final working concentration being 2 &#956;M; Z&#8242;-LYTE Tyr01 phosphorylated short peptide solution, 0.6 &#956;l of stock solution (1 mM dissolved in DMSO) was dissolved in 149.4 &#956;l of 1.33× kinase buffer; an ATP solution: an ATP stock solution (10 mM aqueous solution) was dissolved in 1.33× kinase buffer with the final working concentration being 32 &#956;M; a color-developing solution: color-developing solution B was dissolved in color-developing buffer with the final working concentration being 1× color-developing solution; 4× compound preparation: the compound was diluted in 3-fold gradient concentration to finally obtain 4% DMSO aqueous solution containing different concentrations of the compound, with the final working concentration being 3000, 1000, 333.33, 111.11, 37.04, 12.35, 4.12, 1.37 nM, 8 concentration points in total.Specific steps of the experiment: In the experiment, there were three control groups, each with 8 replicate wells, which were C1 100% inhibition group (no ATP), C2 0% inhibition group (with ATP), and C3 100% phosphorylation group, respectively. 2.5 &#956;l of serially diluted compound was added to each well of a 384-well plate, with double replicate wells, and 4% DMSO solution was added to wells C1, C2, and C3. After that, except for wells C3, 2.5 &#956;l of BTK enzyme solution was added to each remaining well, which was left to stand at 4° C. for 30 minutes. After that, except for wells C3, 2.5 &#956;l of short peptide solution was added to each well, and 5 &#956;l of phosphorylated short peptide solution was added to each of wells C3. 2.5 &#956;l of 1.33× kinase buffer was added to each of wells C1 and C3, and 2.5 &#956;l of ATP solution was added to each of the remaining wells. The wells were centrifuged transiently, and the plate was shaken at 1000 rpm for 30 seconds to perform transient centrifuge.
10919	1	TBD	TBD
10920	1	ALAS Activity	ALAS activity was determined according the article, Stojanovski, B. M., Breydo, L., Hunter, G. A., Uversky, V. N, Ferreira G. C. (2014) Biochim. Biophys. Acta 1844, 2145-2154, which is hereby incorporated by reference in its entirety.
10921	1	Z-lyte assay	Compounds activities were measured by Z&#39;-lyte kinase kit (ThermoFisher Scientific). The percent inhibition rate was calculated by normalizing the kinase activity value obtained with 1 &#956;M compound treatment against DMSO control value. IC50s were calculated using the GraphPad Prism software with kinase activities data that were collected from 9 points serial dilution of compounds treatment.
10922	1	MGAT LCMS Assay	The MGAT enzyme reactions were performed in Corning FALCON 96-well polypropylene plates, in a total volume of 60 &#956;L of 50 mM potassium phosphate buffer pH 7.4, containing a final concentration of 100 &#956;M 2-oleoylglycerol, 15 &#956;M oleoyl-coenzyme A and 0.0013 &#956;g/L human or mouse MGAT-2 or 0.0026 &#956;g/L rat recombinant MGAT-2 membranes expressed in Sf9 cells. Assay plates were run through a fully automated robotics system and shaken for 5 seconds every minute for a total 10 minutes. The reactions were then quenched with 120 &#956;L of ice cold methanol containing 1 &#956;g/mL 1,2-distearoyl-rac-glycerol as the internal standard. Plates were shaken for 2 minutes and spun down to remove protein precipitation. After the spin, samples were transferred to LC/MS compatible PCR plates. For LC/MS analysis, a ThermoFisher Surveyor pump, utilizing a Waters SYMMETRY C8, 50×2.1 mm column, was used for the chromatography of enzyme products. The buffer system consists of 0.1% formic acid in water with a mobile phase consisting 0.1% formic acid in methanol. The shallow gradient is 90-100% mobile phase in 0.2 min with a total run time of 2.3 min. The first 0.5 minutes of each injection was diverted to waste to eliminate the presence of Phosphate buffer in the enzymatic reaction. The column was run at 0.6 mL/min and a temperature of 65° C. Mass spectrometry analysis of the samples was performed on a ThermoFisher Quantum Triple quad utilizing APCI (+) as the mode of ionization. Data was acquired in Single Ion Monitoring (SIM) mode analyzing Diolein=m/z 603.6 (PRODUCT) and 1,2-distearoyl-rac-glycerol (IS)=m/z 607.6. The ratio of Diolein to internal standard (Peak Area Ratio) is utilized to calculate IC50 values.
10923	1	HEK293 luciferase	Purpose of the AssayThe purpose of this assay is to identify small molecule inhibitors of Keap1, preventing Keap1 binding to Nrf2, and thus activating the Nrf2 signalling pathway in HEK-293 ARE firefly luciferase transiently transfected cells. HEK-293 cells express wild-type Keap1 protein and therefore have low constitutive levels of Nrf2 protein and Nrf2-dependent transcription. The cell line was generated in house by transient transfection and possesses 2× tandem repeats of the ARE transcriptional response element upstream of firefly luciferase. When Keap1 is inhibited, Nrf2 signalling is activated, and there is an increase in luciferase expression and light emission.Assay WorkflowCryopreserved HEK ARE luciferase cells were rapidly thawed in a 37° C. water bath and resuspended in assay culture medium (DMEM, 10% FCS, 2 mM L-glutamine). The cell suspension was pelleted by centrifugation (5 mM; 300 g) using a Heraeus benchtop centrifuge. Supernatant was removed and the pellet was gently resuspended in 5 mL culture medium per vial. Cell viability and cell number was measured using an Invitrogen Countess automated cell counter (typical viability 80%), and cells were diluted to a density of 5.0×105 cells/mL.Cells were then plated out into white 384-well plates (Greiner 781080) using a Multidrop Combi, 20 &#956;L/well, to give 10,000 cells/well. As appropriate, test compounds had been added to wells prior to dispensing cells using an Echo 555 acoustic dispenser (Labcyte). Plates were left at room temperature for 10 min to promote even cell settling across the plate before incubation for 18 h at 37° C., 95% humidity and 5% CO2.After 18 h incubation, plates were removed from the incubator and allowed to cool to room temperature for 30 min, before 10 &#956;L per well SteadyGlo reagent detection reagent was added (as per manufacturer&#39;s instructions, 10 min before required 10 mL room temperature buffer was added to one vial of lyophilised substrate and inverted several times to fully dissolve). Plates were then incubated in the dark for 30 min before reading on an Envision plate reader.Preparation of Compounds for ScreeningCompounds were acoustically dispensed using a Labcyte Echo, using a 10 pt dose curve with a top concentration of 100 &#956;M. Assay wells were backfilled with DMSO to a total of 60 nL to maintain 0.3% (v/v) DMSO through the assay.Data Analysis Software and Calculation of ResultsThe Stimulator signal was defined using 30 &#956;M tert-butyl hydroquinone (tBHQ) and the Neutral signal by DMSO vehicle control. All calculations were performed using GeneData.
10924	1	biochemical assay using the ADP-Glo technolog	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate.A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column1) add 2× rxn buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l.The plate was quickly centrifuged and the reaction was incubated at 30° C. for 30 minutes. Adding 5 &#956;l of ADP-Glo terminated the reaction. The plate was quickly centrifuged and the reaction was incubated at room temperature for 40 minutes. Kinase Detection Reagent was then added and incubated at room temperature for 30 minutes. The relative light unit (RLU) of kinase reaction was determined by luminescent (Luminescence 0.1 s) using a Wallac Victor2 Luminometer (PerkinElmer, Waltham, Mass., USA).
10925	1	EP4 Antagonistic Activity Measurement	CHO cells expressing human EP4 receptor subtypes were prepared according to the methods of Nishigaki et al. (Non-Patent Literature 4), and used for experiment. Cells cultured to subconfluent were detached, and suspended in an assay medium (MEM containing 1 mmol/L IBMX, 1% HSA) such that a concentration became 1×106 cells/mL. For reaction, PGE2 was added to the cell suspension (25 &#956;L) in a final concentration of 10 nmol/L, either alone or as a 25-&#956;L PGE2 solution containing the test compound. After 30 minutes of reaction at room temperature, the amount of cAMP in the cells was quantified according to the method in the descriptions of the cAMP assay kit (CISBIO).Note here that the antagonistic effect (IC50 value) of the test compound was calculated as a value that represents an inhibition rate against a reaction with PGE2 alone at 10 nM, a concentration that produces a submaximal cAMP producing effect.
10925	2	EP3 Binding Activity Measurement	To each well of a 96 well plate, 10 &#956;L of a medium (dimethyl sulfoxide; DMSO) which had been 10-fold diluted with an assay buffer solution (10 mmol/L KH2PO4 KOH containing 1 mmol/L EDTA, 10 mmol/L Mg2+ and 100 mmol/L NaCl, pH6.0) or a DMSO solution of a test compound (final concentration of DMSO: 0.5%), 90 &#956;L of assay buffer solution, 50 &#956;L of 10 nmol/L [3H]-PGE2 (final concentration: 2.5 nmol/L), and 50 &#956;L of human EP3 receptor expressing cell membrane fraction (manufactured by Millipore) (membrane protein mass: 2.5 &#956;g) were placed, and subjected to incubation at room temperature. In nonspecific binding group, instead of the medium, 2 mmol/L of PGE2 was added (final concentration of PGE2: 10 &#956;mol/L). After 60 minutes, a membrane fraction was subjected to suction filtration using a cell harvester, and collected onto a glass fiber (GF/B) plate (hereinafter, filter plate ) which had been wetted with a washing buffer solution (10 mmol/L KH2PO4 KOH containing 100 mmol/L NaCl, pH6.0) in advance. Furthermore, an operation of adding about 0.2 mL of the washing buffer solution to the 96 well plate after suction filtration, and carrying out suction filtration was repeated twice, and the remaining membrane fractions were collected. The filter plate was washed with 150 mL of washing buffer solution twice, and then dried at 50° C. to 60° C. for about 60 minutes. After an accessary back seal was attached to the bottom surface of the filter plate, about 50 &#956;L per well of liquid scintillation cocktail was added to the filter plate, and a scaling film sheet was attached to the upper surface of the filter plate. The filter plate was shaken, and then radioactivity (cpm) of the filter plate was measured using a microplate scintillation counter. A specific binding amount of [3H]-PGE2 to EP3 receptor was calculated by subtracting the radioactivity of the nonspecific binding group from the radioactivity other than the radioactivity of the nonspecific binding group. The inhibition rate by the test compound was calculated from the specific binding amount of [3H]-PGE2 in a medium group and the compound of the present invention group, a Ki value (dissociation constant of the test compound) was calculated from estimated IC50 value (the concentration of the test compound required for inhibiting 50% with respect to the specific binding amount of the medium group) according to the following formula. 
10926	1	PRMT5:MEP50 FlashPlate Assay with MTA	The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plus histone H4 [methyl-3H]-L-arginine. The assay was carried out using Streptavidin-coated FlashPlates (Perkin Elmer), which contained a scintillant embedded in the plastic of the plate. The histone H4 peptide substrate was conjugated with biotin, which binds to the streptavidin-coated well of the plate, placing the H4 peptide in close proximity to the side well and the scintillant. The transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the bound histone H4 peptide generated a radiolabeled histone H4, which was quantitated by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted in 2uM MTA to determine whether the compounds exhibit MTA-cooperative activity. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound was 50 &#956;M. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 3 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 40 nM histone H4 peptide (amino acids 1-15)-Biotin conjugate for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 &#956;M tritiated S-adenosyl methionine (final concentration) and the reaction is allowed to proceed for 20 min. The reaction was stopped and the amount of bound, tritiated H4 peptide in each sample was determined using a scintillation counter. The IC50 value for each compound was calculated from each 10-point dose-response curve for samples plus MTA using GraphPad Prism software.
10926	2	PRMT5:MEP50 FlashPlate Assay without MTA	The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plus histone H4 [methyl-3H]-L-arginine. The assay was carried out using Streptavidin-coated FlashPlates (Perkin Elmer), which contained a scintillant embedded in the plastic of the plate. The histone H4 peptide substrate was conjugated with biotin, which binds to the streptavidin-coated well of the plate, placing the H4 peptide in close proximity to the side well and the scintillant. The transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the bound histone H4 peptide generated a radiolabeled histone H4, which was quantitated by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted to determine whether the compounds exhibit MTA-cooperative activity. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound was 50 &#956;M. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 3 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 40 nM histone H4 peptide (amino acids 1-15)-Biotin conjugate for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 &#956;M tritiated S-adenosyl methionine (final concentration) and the reaction is allowed to proceed for 20 min. The reaction was stopped and the amount of bound, tritiated H4 peptide in each sample was determined using a scintillation counter. The IC50 value for each compound was calculated from each 10-point dose-response curve for samples minus MTA using GraphPad Prism software.
10927	1	Evaluation of Activity for OX1R and OX2R	HEK293 (human embryonic kidney 293) cells with forced expression of human OX1R (hOX1R) or human OX2R (hOX2R) were seeded in a 384-well microplate (Greiner) at 10,000 per well and cultured for 1 day in high-glucose-DMEM (FujiFilm Corp. Wako Pure Chemical Industries, Ltd.) containing added 10% FBS (Tenno Scientific) and 1% Penicillin-Streptomycin (FujiFilm Corp. Wako Pure Chemical Industries, Ltd.). After removing the medium, 40 &#956;L of assay buffer (20 mM HEPES (Sigma-Aldrich Japan, KK.), Hanks&#39; balanced salt solution (Gibco), 0.1% BSA (Sigma-Aldrich Japan, KK.), 0.1% Pluronic F-127 (Invitrogen)) containing Calcium 4 dye (Molecular Device Corporation) and 2.5 mM probenecid (Sigma-Aldrich Japan, KK.) were added, and the plate was incubated for 60 minutes. After further adding 20 &#956;L of assay buffer, 20 &#956;L of assay buffer containing the test compound was added and reaction was initiated. Change in intracellular calcium ion concentration during the reaction was measured based on the fluorescence intensity ratio in terms of the fluorescence value with wavelength excitation at 480 nm and detection at 540 nm, using FDSS7000 (Hamamatsu Photonics, K.K.). The test compound was dissolved in DMSO to 10 mM, and diluted with assay buffer to a final concentration of from 3×10&#8722;11 M to 1×10&#8722;7 M (DMSO final concentration of 0.1%). The half maximal effective concentration (EC50 value) was determined from the fluorescence value with addition of the test compound at different concentrations, with the fluorescence value of the well with compound-free buffer added as 0%, and the fluorescence value of the well with 10 nM OX-A (Peptide Research Lab) as 100%.
10927	2	Evaluation of Activating Activity for OX1R and OX2R	Human Embryonic Kidney cells 293 (HEK293) cells with forced expression of hOX1R or hOX2R were seeded in a 384-well microplate (Greiner) at 10,000 per well and cultured for 1 day in high-glucose-DMEM (FujiFilm Corp. Wako Pure Chemical Industries, Ltd.) containing added 10% FBS (Thermo Scientific) and 1% Penicillin-Streptomycin (FujiFilm Corp. Wako Pure Chemical Industries, Ltd.). After removing the medium, 30 &#956;L of assay buffer (20 mM HEPES (Sigma-Aldrich Japan, KK.), Hank&#39;s balanced salt solution (Gibco), 0.1% BSA (Sigma-Aldrich Japan, KK.), 0.1% Pluronic F-127 (Invitrogen)) containing Calcium 4 dye (Molecular Device Corporation) and 2.5 mM probenecid (Sigma-Aldrich Japan, KK.) were added, and the mixture was incubated for 60 minutes. A 30 &#956;L portion of assay buffer containing the test compound was added and reaction was initiated. Change in intracellular calcium ion concentration by the reaction was measured based on the fluorescence intensity ratio in terms of the fluorescence value with dual wavelength excitation at 480 nm and 540 nm, using FDSS7000 (Hamamatsu Photonics, K.K.). The test compound was dissolved in DMSO to 10 mM, and diluted with assay buffer to a final concentration of from 3×10&#8722;11 M to 1×10&#8722;5 M (DMSO final concentration of 0.1%). The EC50 value was determined from the fluorescence value with addition of the test compound at different concentrations, with the fluorescence value of the well with compound-free buffer added as 0%, and the fluorescence value of the well with 30 nM OX-A (Peptide Research Lab) as 100%.
10928	1	Identification of Inhibitors of C5aR	To evaluate small organic molecules that prevent the C5a receptor from binding ligand, an assay was employed that detected radioactive ligand (i.e, C5a) binding to cells expressing C5aR on the cell surface (for example, cAMP stimulated U937 cells or isolated human neutrophils). For compounds that inhibited binding, whether competitive or not, fewer radioactive counts are observed when compared to uninhibited controls.Equal numbers of cells were added to each well in the plate. The cells were then incubated with radiolabeled C5a. Unbound ligand was removed by washing the cells, and bound ligand was determined by quantifying radioactive counts. Cells that were incubated without any organic compound gave total counts; non-specific binding was determined by incubating the cells with unlabeled ligand and labeled ligand. Percent inhibition was determined by the equation:% inhibition=(1&#8722;[(sample cpm)&#8722;(nonspecific cpm)]/[(total cpm)&#8722;(nonspecific cpm)])×100. 
10929	1	Wee-1 Biochemical Assay	In determination of the Weel kinase activity, a synthetic peptide, Poly(Lys,Tyr) Hydrobromide (Lys:Tyr (4:1)) bought from Sigma was used as the substrate. The amount of the reaction mixture was 21.1 &#956;L; and the composition of the reaction buffer was 50 mM Tris-HCl buffer (pH 7.4)/10 mM magnesium chloride/1 mM dithiothreitol. The purified Weel kinase, 2.5 &#956;g of the substrate peptide, 10 &#956;M of non-labeled adenosine triphosphate (ATP) and 1 &#956;Ci of [&#947;-33P]-labeled ATP (2500 Ci/mmol or more) were added to it, and incubated at 30° C. for 30 minutes. Next, 10 &#956;L of 350 mM phosphate buffer was added to the reaction mixture to stop the reaction. The substrate peptide was adsorbed by a P81 paper filter 96-well plate, then washed a few times with 130 mM phosphate buffer, and its radioactivity was counted with a liquid scintillation counter. The [&#947;-33P]-labeled ATP was bought from Amersham Bioscience. To add the test compound to the reaction system, the compound was diluted with dimethylsulfoxide (DMSO) to prepare a series of dilutions. 1.1 &#956;L of each dilution was added to the reaction system. As a control, 1.1 &#956;L of DMSO was added to the reaction system. Such assays, carried out with a range of doses of test compounds, allow the determination of the Wee1 IC50 of the compounds of the present invention.
10930	1	Assay of Small Molecular Compounds for Inhibiting the Activity of RET Kinase	The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 &#956;L of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 &#956;L of 2× RET kinase solution (concentration was 0.8 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 30 minutes.4. 2.5 &#956;L 4× Ultra ULight -JAK-1 (Tyr1023) Peptide (concentration was 200 nM)/ATP (concentration was 40 &#956;M) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 &#956;L/well 4× substrate/ATP mixture and 7.5 &#956;L 1× Kinase Assay Buffer were added to the wells of the 384-well plate. Positive control: 2.5 &#956;L/well 4× substrate/ATP mixture, 2.5 &#956;L/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 &#956;L/well 2× RET kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.6. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.7. Termination of the enzymatic reaction: 5 &#956;L of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.8. Development of the reaction: 5 &#956;L of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.9. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.10. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well&#8722;reading of experimental well)/(reading of positive control well&#8722;reading of negative control well)×100%. Processing with GraphPad Prism5 software yielded the corresponding IC50 values (the concentration of the compound at which 50% of the highest inhibition of the enzyme is achieved).
10930	2	Assay of Small Molecular Compounds for Inhibiting the Activity of VEGFR-2 Kinase	The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 &#956;L of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 &#956;L of 2× VEGFR2 kinase solution (concentration was 0.5 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 30 minutes.4. 2.5 &#956;L 4× Ultra ULight -JAK-1 (Tyr1023) Peptide (concentration was 200 nM)/ATP (concentration was 40 &#956;MM) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 &#956;L/well 4× substrate/ATP mixture and 7.5 &#956;L 1× Kinase Assay Buffer were added to the wells of the 384-well plate.6. Positive control: 2.5 &#956;L/well 4× substrate/ATP mixture, 2.5 &#956;L/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 &#956;L/well 2× VEGFR2 kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.7. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.8. Termination of the enzymatic reaction: 5 &#956;L of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.9. Development of the reaction: 5 &#956;L of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.10. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.11. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well&#8722;reading of experimental well)/(reading of positive control well&#8722;reading of negative control well)×100%. Processing with GraphPad Prism5 software yielded the corresponding IC50 values (the concentration of the compound at which 50% of the highest inhibition of the enzyme is achieved).
10931	1	IP Accumulation Assay	HEK293 cells stably expressing OX2R are transfected with Gq alpha construct (6.4 ug per 10 cm dish) using Lipofectamine 3000 (ThermoFisher). 24 hours after transfection, cells are plated on poly-lysine-coated 96-well plates at 30,000 cells per well in Inositol-free DMEM+5% FCS with 5 uCi per ml Myo-[2-3H] Inositol (Perkin Elmer). Plates are incubated at 37° C. O/N in 8% C02 tissue culture incubator. Agonists are diluted serially in HBSS containing 10 mM Lithium Chloride. After removal of culture media, agonist solutions are added to the cells (100 ul/well) and incubated at 37° C. 45 min in 8% C02 incubator. Agonist solution is removed and cells are lysed on ice with 10 mM Formic Acid (40 ul/well) for 30 minutes. SPA Poly Lysine YSI beads (Perkin Elmer, cat #RPNQ0010) are added to the wells and mixed on a shaker for 30 minutes before reading on a Microbeta scintillation counter. Positive control curves run with all screens: orexin B and Yanagisawa (J. Med. Chem. 2015) agonist.
10932	1	Radioligand Binding Assay	Each compound was initially tested at 20 &#956;M and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in &#956;OR containing Sf9 insect cell membranes. The reaction contained 40 fmol of &#956;OR and was incubated in a buffer of 20 mM HEPES pH 7.5, 100 mM sodium chloride, and 0.1% bovine serum albumin for 1 hour at 25° C. To separate free from bound radioligand, reactions were rapidly filtered over Whatman GF/B filters with the aid of a Brandel harvester and 3H-DPN counts were measured by liquid scintillation. Compounds with more than 25% of 3H-DPN radioactivity were further tested in full dose-response to determine the affinity (Ki) in HEK293 membranes. Subsequently, the 15 analogs were tested in full dose-response for affinity at the &#956;OR and the &#954;OR by the National Institutes of Mental Health Psychoactive Drug Screen Program (PDSP), as were the affinities of compounds 12, PZM21, and their stereoisomers at the &#956;OR, &#948;OR, &#954;OR and nociception receptor.
10933	1	In Vitro Binding to CB1 and CB2 Receptors	Membranes from human CB1 or CB2 receptor-transfected cells (RBHCB1M400UA and RBXCB2M400UA, respectively) were supplied by Perkin-Elmer Life and Analytical Sciences (Boston, Mass.). The values of Bmax and Kd for the CB1 or CB2 receptor membranes are variable. The used batch showed the following Bmax and Kd values, 1.9 pmol/mg membrane protein and 0.16 nM, respectively, for CB1 receptor membranes, and 5.2 pmol/mg membrane protein and 0.18 nM, respectively, for CB2 receptor membranes. The protein concentration for the CB1 receptor membranes was 8.0 mg/ml, whereas for the CB2 receptor membranes 4.0 mg/ml. The commercial membranes were diluted (1:20) with the binding buffer (50 mM TrisCl, 5 mM MgCl2.H2O, 2.5 mM EDTA, 0.5 mg/mL BSA and pH=7.4 for CB1 binding buffer; 50 mM TrisCl, 5 mM MgCl2.H2O, 2.5 mM EGTA, 1 mg/mL BSA and pH=7.5 for CB2 binding buffer). The radioligand was [3H]-CP55940 (144 Ci/mmol; PerkinElmer) used at a concentration of 0.10 nM with a final volume of 200 &#956;l for CB1 binding and at a concentration of 0.15 nM with a final volume of 600 &#956;l for CB2 binding. 
10934	1	ROCK-I(h) In Vitro Inhibition Activity-Method A	Table 2: ROCK-I(h) kinase assays were conducted using the KinaseProfiler service of Eurofins Pharma Discovery Services UK Limited. ROCK-I(h) was incubated with the test compound in assay buffer containing 8 mM MOPS pH 7.0 (VWR cat #441644J) 0.2 mM EDTA (Sigma cat #E5134), 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (Pepceuticals), 10 mM magnesium acetate (Merck Millipore cat #105819) and [&#947;-33P-ATP] (Perkin Elmer cat #NEG602K). Test compound in 100% DMSO (Calbiochem cat #317275) was spotted into a 96-well assay plate prior using a Mosquito X1 (TTP Labtech) prior to addition of the reaction mix. The reaction was initiated by the addition of the Mg/ATP mix using a Matrix Wellmate. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of a 3% phosphoric acid solution (Fisher Scientific cat #O/0500/PB17) using a Matrix Wellmate. An aliquot of the reaction was then spotted onto a filtermat and washed in phosphoric acid followed by a rinse in methanol prior to drying and scintillation counting in a Trilux Wallac Microbeta detector (Perkin Elmer). Results were expressed in relation to controls containing DMSO only in place of test compound. Where applicable, IC50 curve analysis was performed using XLFit version 5.3 (ID Business Solutions). Sigmoidal dose-response (variable slope) curves are fitted using non-linear regression analysis.
10934	2	ROCK-II(h) In Vitro Inhibition Activity	Table 2: ROCK-II(h) kinase assays were conducted using the KinaseProfiler service of Eurofins Pharma Discovery Services UK Limited. ROCK-II(h) was incubated with the test compound in assay buffer containing 50 mM Tris pH 7.5 (VWR cat #103157P), 0.1 mM EGTA (VWR cat #20308), 30 &#956;M KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (Pepceuticals), 10 mM magnesium acetate and [&#947;-33P-ATP] (Perkin Elmer cat #NEG602K). Test compound in 100% DMSO (Calbiochem cat #317275) was spotted into a 96-well assay plate prior using a Mosquito X1 (TTP Labtech) prior to addition of the reaction mix. The reaction was initiated by the addition of the Mg/ATP mix using a Matrix Wellmate. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of a 3% phosphoric acid solution (Fisher Scientific cat #O/0500/PB17) using a Matrix Wellmate. An aliquot of the reaction was then spotted onto a filtermat and washed in phosphoric acid followed by a rinse in methanol prior to drying and scintillation counting in a Trilux Wallac Microbeta detector (Perkin Elmer). Results were expressed in relation to controls containing DMSO only in place of test compound. Where applicable, IC50 curve analysis was performed using XLFit version 5.3 (ID Business Solutions). Sigmoidal dose-response (variable slope) curves are fitted using non-linear regression analysis.
10935	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4&#8242;° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37&#8242;° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (WNV)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HIRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. 
10936	1	ADP-Glo Kinase Assay	The inhibitory properties of compounds were evaluated with TNIK kinase enzyme system and luminescent ADP-GloFigure US11485711-20221101-P00001 Kinase Assay from Promega Corporation according to the manufacturer&#39;s protocol. The tested compounds were incubated with TNIK kinases. Reactions were performed in 10 &#956;l kinase buffer supplemented with reaction mixture containing 2 &#956;l ATP, 2 &#956;l MBP protein and 2 &#956;l TNIK at 37° C. for 30 min. The reactions&#39; conditions are provided in Table 5. After kinase reaction, 5 Figure US11485711-20221101-P00002 reaction mixtures were transferred to 384 well assay plate (Greiner, solid white low-binding plates). Next, 5 &#956;l of ADP-Glo Reagent was added to each well and incubated at 37° C. for 30 min. After 45 min, 10 &#956;l Kinase Detection Reagent was added to each well and luminescence signal was detected with the SpectraMax M5e Microplate Reader (Molecular Devices, Menlo Park, Calif.) after 30 min at 37° C. incubation. The IC50 values were calculated using GraphPad Prism software (GraphPad Software Inc., La Jolla, Calif., USA) to determine kit performance. To the cut-off assay, the inhibitory activity of the compounds against TNIK kinase was expressed as the percentage of the kinase inhibitory activity for an indicated concentration of inhibitor. 
10937	1	Biochemical ATX Assa	5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and 0.1% bovine serum albumin. Test compounds were dissolved in DMSO and tested in the range of 0.1 nM to 10 &#956;M. The enzymatic reaction (22.5 &#956;L) was started by addition of 2.5 &#956;L 10 &#956;M 18:1 LPC (Avanti Lipids, Alabaster, Ala., USA). After 2-h incubation at room temperature, the reaction was stopped by addition of 20 &#956;L water containing 500 nM 20:4 LPA as internal standard and 100 &#956;L 1-butanol for extracting LPA. Subsequently, the plates were centrifuged at 4000 rpm, 4° C., for 2 min. The resultant upper butanol phase was directly used for injection at a RapidFire system (Agilent).The RapidFire autosampler was coupled to a binary pump (Agilent 1290) and a Triple Quad 6500 (ABSciex, Toronto, Canada). This system was equipped with a 10-&#956;L loop, 5-&#956;L Waters Atlantis HILIC cartridge (Waters, Elstree, UK), 90% acetonitrile containing 10 mM ammonium acetate as eluent A and 40% acetonitrile containing 10 mM ammoniumacetate as eluent B. 
10938	1	Chemiluminescent Assay	A PRMT5 chemiluminescent assay was used to measure the IC50 activity of PRMT5 of the compounds of Examples 1A to 7 above. Biotinylated histone peptides were synthesized and attached to 384-well plates. Compound serial dilutions were performed and added to the assay plate. Histone H4 monomethyl R3 antibody was obtained from Abcam. A master mix for each well was prepared and human PRMT5/MEP50 (expressed in HEK293 cells) diluted in assay buffer to a concentration of 5 ng/&#956;L. The reaction was incubated and slowly rotated for 60 minutes at the point of PRMT5/MEP50 addition. The supernatant from the wells was removed and blocking buffer was added to each well and rotated for 10 minutes. The primary antibody was diluted and added to every well for 60 minutes, before it was removed and the wells washed. The horse raddish peroxidase (HRP)-coupled secondary antibody was diluted and added to each well with an incubation time of 30 minutes. The HRP chemiluminescent substrate was added to every well. The plate was read on a Flourstar Omega BMG Labtech instrument (Ortenberg, Germany) and the analysis of IC50 was performed using the Flourstar Omega BMG Labtech software.
10939	1	Inhibitor Assay	Deubiquitinase activity was measured using ubiquitin-rhodamine 110 as a substrate. Cleavage of the amide bond between rhodamine and the c-terminal glycine of ubiquitin yields an increase in fluorescence signal. The assay was conducted in 20 ul total volume of assay buffer (50 mM Tris-HCl, pH 7.8, 0.5 mM EDTA, 0.01% Bovine Serum Albumin, 1 mM DTT, 0.01% Tween-20), and 0.05 nM USP1/UAF1 enzyme. Reaction was initiated by addition of 150 nM Ubiquitin-rhodamine (Boston Biochem) substrate.Compounds, dissolved in DMSO were tested in dose response format, beginning at 10 uM.Compounds depicted below were added to enzyme/assay buffer mix and incubated 10 min. Substrate mix was added, and reaction mix was read in kinetic mode for 30 min at Ex480/Em540 and IC50 response curves were plotted.
10940	1	Enzymatic Activity Assay	An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 &#956;l volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 uM S-Adenosyl-L-[methyl-3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter. 
10941	1	Biochemical Inhibition Assay	The NAMPT enzymatic reactions were carried out in Buffer A (50 mM Hepes pH 17.5, 50 mM NaCl, 5 mM MgCl2, and 1 mM THP) in 96-well V-bottom plates. The compound titrations were performed in a separate dilution plate by serially diluting the compounds in DMSO to make a 100× stock. Buffer A (89 &#956;L) containing 33 nM of NAMPT protein was added to 1 &#956;L of 100× compound plate containing controls (e.g. DMSO or blank). The compound and enzyme mixture was incubated for 15 min at room temperature, then 10 &#956;L of 10× substrate and co-factors in Buffer A were added to the test well to make a final concentration of 1 &#956;M NAM, 100 &#956;M 5-Phospho-D-ribose 1-diphosphate (PRPP), and 2.5 mM Adenosine 5&#8242;-triphosphate (ATP). The reaction was allowed to proceed for 30 min at room temperature, then was quenched with the addition of 11 &#956;L of a solution of formic acid and L-Cystathionine to make a final concentration of 1% formic acid and 10 &#956;M L-Cystathionine Background and signal strength was determined by addition (or non-addition) of a serial dilution of NMN to a pre-quenched enzyme and cofactor mix.
10942	1	Radioligand Binding Assay	The D2 binding Ki values were determined using a radioligand binding assay.
10943	1	Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. By the use of Dotmatics software compound concentration versus percent inhibition was fitted to generate IC50 values. The example compounds effectively inhibited Vps34 and the results of the assay are shown in Table 1 (Median IC50 nM Adapta).
10944	1	BRD4 AlphaScreen Assay	Table 11: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 &#956;L for BD1 and 40 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature for 75 min. in the assay buffer (50 mM HEPES, pH 7.4, 100 mM NaCl, 0.05% CHAPS, 0.01% BSA), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4), 3.8 nM (BRD4-BD1, BPS Bioscience #31040) or 20 nM (BRD4-BD2, BPS Bioscience #31041). The reaction followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at 4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
10944	2	BRD4 AlphaScreen Assay	Table 12: BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer -AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software. 
10945	1	SHP2 Enzyme Activity Inhibition Assay	Compound powders were dissolved in DMSO to prepare mother liquor.During the experiment, the stock solutions of the compounds were subjected to 3-fold gradient dilution with DMSO, and 10 different test concentrations of each compound were set. 1 &#956;L of each concentration of the compounds was transferred into the wells of detection plates (Corning, Costar 3915), setting two duplicates for each concentration. The protein used was the activated protein SHP2E76A with amino acid mutation at position 76 of the protein, and the substrate used was DiFMUP (Invitrogen, E12020). SHP2E76A protein and substrate were diluted with buffer (0.1 M NaAc (pH 7.2), 0.02% Tween 20, 0.1% BSA, 1 mM EDTA, 5 mM DTT) to a concentration of 1.2 nM and 20 M, respectively. 50 L of enzyme solution was added to the detection wells, followed by 50 L of substrate. On the Spectra max i3 (Molecular Devices) instrument, the fluorescence signal was recorded (Ex 358 nm/Em 455 nm) every minute, from which the product accumulation rate was calculated to characterize the enzyme activity. GraphPad Prism 5 was used for nonlinear regression analysis, and the curve of enzyme activity versus compound concentration was fitted by the equation Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)) to calculate the IC50 value of each compound.
10946	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
10947	1	Single Dose Enzymatic Inhibition Assay	To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined as percentage inhibition. 5 nM VIM-2 was pre-incubated for 10 mins with 50 &#956;M of each compound, followed by the addition of 10 &#956;M nitrocefin. The relative change in the &#955;max=486 nm absorbance after 30 mins was evaluated as percentage inhibition.
10948	1	Anti-HBV Activity	The anti HBV activity was measured using the HepG2.117 cell line, a stable, inducible HBV producing cell line, which replicates HBV in the absence of doxicycline (Tet-off system). The HepG2 cell line is available from ATCC ) under number HB-8065. Transfection of the HepG2 cell line can be as described in Sun and Nassal 2006 Journal of Hepatology 45 (2006) 636-645 Stable HepG2- and Huh7-based human hepatoma cell lines for efficient regulated expression of infectious hepatitis B virus .For the antiviral assay, HBV replication was induced, followed by a treatment with serially diluted compound in 96-well plates. After 3 days of treatment, the antiviral activity was determined by quantification of intracellular HBV DNA using real-time PCR and an HBV specific primer set and probe.Cytotoxicity of the compounds was tested using HepG2 or HepG2.117 cells, incubated for 3 days in the presence of compounds. The viability of the cells was assessed using the Perkin Elmer ATPlite Luminescence Assay System.
10949	1	PERK enzyme assays	The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-1115) and elF2alpha peptide substrate (Aminoacid sequence: LLSELSRRRIRSINK SEQ ID Nr: 1; purchased from American Peptide Company, product #341923). This was followed by:Method 1: Quantification of the ADP Formed from the Kinase Reaction by ADP-Glo Kinase Assay (Promega Cat. 9102). Utra Pure ATP was Included into ADP-Glo Kinase Assay Kit.Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room temperature in the presence of ATP, substrate and enzyme in a final volume of 15 microL of kinase buffer in 384-well plates (Perkin Elmer cat. #6007290).The final concentration of the different reagents is 52 microM ATP, 8 nM PERK, 300 microM substrate, 50 mM Hepes pH 7.5, 3 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, 0.2 mg/ml BSA, 1% DMSO.After 60 minutes, an equal volume (15 microL) of ADP-Glo Reagent was added to each well to terminate the kinase reaction and deplete the remaining ATP. After 40 minutes, 30 microL of Kinase Detection Reagent is added, which simultaneously converts ADP to ATP and allows the newly synthesized ATP to be measured using a coupled luciferase/luciferin reaction. After further 40 minutes luminescence was read by ViewLux Instrument (Perkin Elmer). The data are analyzed by GraphPad Prism software which provides sigmoidal fittings of the curves for IC50 determination using a 4 parameter logistic equation:y=bottom+(top&#8722;bottom)/(1+10{circumflex over (&#8195;)}((log IC 50 &#8722;x)*slope))where x is the logarithm of the inhibitor concentration, y is the response; y starts at bottom and goes to top with a sigmoid shape.Method 2: Quantification of the Phosphorylated Product Formed from the Kinase Reaction in Presence of ATP (Aldrich, Cat #A2620-9).Serially diluted compounds were incubated for 60 minutes at room temperature in the presence of ATP/P33gammaATP mix, substrate and enzyme in a volume of 15 microL of kinase buffer in 384-well plates (Thermo Scientific, cat #4312).The reaction volume contains, in final concentration, 52 microM ATP, 8 nM PERK and 300 microM substrate in 50 mM Hepes pH 7.5, 3 mM MgCl2, 1 mM DTT, 3 microM Na3VO4, 0.2 mg/ml BSA. The final concentration of DMSO was 1%.At the end of the incubation, an amount of 60 microL of Dowex resin (Sigma, customized resin 1×8 200-400 mesh cat #13858-U) in 150 mM sodium formate buffer pH=3.0 was added to stop the reaction and capture unreacted ATP/P33gammaATP, separating it from the phosphorylated substrate in solution. After 60 minutes of rest, a volume of 22 microL of supernatant was transferred into 384-Optiplates (Perkin-Elmer, cat #6007290). After the addition of 50 microL of Microscint 40 (Perkin-Elmer, cat #6013641), the radioactivity was counted in the TopCount (Perkin Elmer).
10950	1	ADP-Glo Assay	Compounds of the present invention were evaluated in an ADP-GLO assay as follows:a) Dilute cpd 1:3 in succession in DMSO by hand for each cpds for 12 ptsb) Add 0.1 &#956;L diluted cpd solution to assay plate, each dose with 2 replicatesc) Centrifuge 1000 RPM for 1 mind) Add 5 &#956;L ACL working solution to 384-well assay plate, centrifuge 1000 RPM for 1 mine) Incubate at 25° C. for 15 minf) Add 5 &#956;L substrate working solution to initiate reactiong) Final ACL reaction concentrations: 3 nM ACL, 15 &#956;M ATP, 3 &#956;M CoA, 300 &#956;M Citrate, 0.01% Brij35, 4 mM DTT, 1% DMSO;h) Reference final conc: 30 uM starting Conc, 3× dilution, 11+0 points. Test cpd conc: 30/100 uM starting Conc, 3× dilution, 11+0 points.i) Incubate at 25° C. for 60 minj) Add 10 &#956;L ADP Glo reagent, centrifuge 1000 RPM for 1 mink) Incubate at 25° C. for 40 minl) Add 20 &#956;L kinase detection reagent, centrifuge 1000 RPM for 1 minm) Incubate at 25° C. for 40 minn) Read on Envision for US LUM as RLU.
10951	1	Kat6A Assay 1	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: ii. KAT6A 15 nM, 1 uM AcCoA, 2 uM H3 1-21 peptide, 45-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	2	Kat6A Assay 2	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT6A 15 nM, 10 uM AcCoA, 2 uM H3 1-21 peptide, 45-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	3	Kat6B Assay 1	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT6B 25 nM, 1 uM AcCoA, 2 uM H3 1-21 peptide, 60-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	4	Kat6B Assay 2	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT6B 25 nM, 25 uM AcCoA, 2 uM H3 1-21 peptide, 60-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	5	Kat5 Assay	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT5 25 nM, 1 uM AcCoA, 2 uM H4 1-21 peptide, 30-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	6	Kat7 Assay	A. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT7 12.5 nM, 1 uM AcCoA, 2 uM H3 1-21 peptide, 45-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10951	7	Kat8 Assay	TBDA. Compound preparation 1. Prepare 10 mM stock solutions in 100% DMSO from solid material 2. Serial dilute 10 mM, 1 mM or 0.1 mM compound stocks 3-fold in 100% DMSO for 11-point dose responseB. Reagent preparation 1. Prepare 1× assay buffer containing 10 mM Tris HCL pH 8.0, 2.5 mM NaCl, 0.5 mM EDTA, 0.005% BSG and 0.02% Tween-20 2. Dilute Histone peptide (CPC Scientific) and AcCoA (Sigma) together in assay buffer to 2×. 3. Dilute KAT enzyme in assay buffer to 2×.C. Enzyme reaction 1. Final reaction conditions for each KAT assay in a 20 ul assay reaction volume: KAT8 15 nM, 1 uM AcCoA, 2 uM H3 1-21 peptide, 45-minute reaction 2. Add 0.5 ul of diluted compound to the assay plate (384-well V-bottom polypropylene plates) or 0.5 ul of DMSO for control wells. 3. Add 10 ul of 2× Histone peptide/2×AcCoA mix to the assay plate. 4. Add 10 ul of 2× enzyme to the assay plate. 5. Stop the reaction after the indicated time with the addition of 2 ul of 5% formic acid 6. Each reaction was analyzed using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, Milan (2008) Mass Spectrometry of Self-Assembled Monolayers: A New Tool for Molecular Surface Science ACS Nano 2008 2 (1), 7-18; SAMDI Tech, Inc. (Chicago, Ill.)). 7. Area under the curve (AUC) for both substrate and product peaks was determined for KAT5 at M.W. 2561 [Substrate+H]+ and 2603 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively 8. Area under the curve (AUC) for both substrate and product peaks was determined for KAT6a, KAT6B, KAT7 and KAT8 at M.W. 2723 [Substrate+H]+ and 2765 [Product+H]+ with a +/&#8722;1 Da tolerance, respectively. 9. Percent conversion to product was calculated by: AUCProduct/(AUCsubstrate+AUCProduct).D. Data analysis 1. IC50 values were determined by fitting the % conversion at each inhibitor concentration to the 4-parameter IC50 equation using Pfizer proprietary curve fitting software. 2. Ki values were determined by fitting the % conversion at each inhibitor concentration to the Morrison equation for tightbinding competitive inhibitors using Pfizer proprietary curve fitting software.
10952	1	Inhibition of PI3K alpha	Quantification of ATP to ADP conversion as a measure of PI3K&#945; activity. Active PI3K&#945; (Life Technologies), in the presence or absence of PI3K&#945; inhibitor, was reacted with PIP2:PS (Life Technologies), a substrate specifically optimized for use with Class I PI3 kinases, and ultrapure ATP (Promega). The conversion of ATP to ADP by PI3K&#945; was measured as luminescence signal via Promega ADP-Glo kinase activity assay. Assay was validated using published PI3K&#945; inhibitors LY294002, PI-103, BYL719, GDC0198 and also DMSO vehicle control.Compounds were prepared at 100× final concentration as a 12-point, 1:3 serial-dilution in DMSO series, with DMSO control as 12th point. Compound was then diluted in (25 mM HEPES pH 7.5, 1 mM EGTA, 0.3% CHAPS) prior to addition to PI3K&#945;. Active PI3K&#945; diluted to 0.24 ng/&#956;L (1.1 nM) in (50 mM HEPES pH 7.5, 6 mM MgCl2, 1 mM EGTA, 200 mM NaCl, 0.03% CHAPS, 8 mM DTT) was incubated with compound for 0 hr and 3 hr prior to the start of the reaction. 25 &#956;M PIP2:PS and 60 &#956;M ATP were diluted from stock in (25 mM HEPES pH 7.5, 1 mM EGTA, 0.3% CHAPS) and added to initiate the PI3K&#945; reaction. Reaction time was 30 minutes. ATP to ADP conversion was measured in Luminescence Counts on DTX880 Plate Reader (Beckman Coulter). Compound IC50s were reported using GraphPad Prism software. Analytical method was non-linear regression, 4-parameter curve fit with bottom fit to validated PI3K&#945; inhibitor reference controls and no top fit (floating top).
10952	2	pAKT Protocol	Inhibition of the PI3K-AKT-mTOR pathway was measured by quantifying the loss of (Ser-473) pAKT using AlphaScreen (Perkin Elmer). B103 (Rat Neuroblastoma) cells were seeded in serum containing medium (High Glucose DMEM (-Phenol Red)+10% FBS+2× Glutamax+1 mM Sodium Pyruvate+10 mM HEPES+1× Non-Essential Amino Acids+1× Pen/Strep) on a 96-well tissue culture treated plate and grown for 20 hours. Cells were then serum starved in serum free medium (High Glucose DMEM (-Phenol Red)+1× Glutamax+1 mM Sodium Pyruvate+1× Pen/Strep) for 6 hours prior to a 2-hour pretreatment with inhibitors of the pathway, including reference inhibitor LY294002. These inhibitors were prepared at a 200× final concentration as a 6-point, 1:3 serial dilution in DMSO series, with DMSO as the 7th point. The inhibitors were then diluted in experimental medium (High Glucose DMEM (-Phenol Red)+1× Glutamax+1 mM Sodium Pyruvate+1× Pen/Strep+25 mM HEPES+0.1% BSA) and combined with the cells at 1× final concentration in 0.5% DMSO. The cells were then stimulated for 20 minutes with (2.5 &#956;g/mL) insulin, an activator of the PI3K-AKT-mTOR pathway and a demonstrated (Ser-473) pAKT agonist. Cells were promptly lysed using Perkin Elmer proprietary lysis buffer and the (Ser-473) pAKT and total AKT contained in the lysate was measured by AlphaScreen. In AlphaScreen, donor beads were coated with streptavidin to capture one of the antibodies, which is biotinylated. Acceptor beads were coated with Protein A to immobilize the other antibody. In the presence of target protein, the two antibodies bring the donor and acceptor beads close together, generating signal. The amount of light emission is directly proportional to the amount of target protein present in the sample. For each inhibitor tested: the ratio of measured (Ser-473) pAKT/totalAKT was plotted in GraphPad Prism as a 7-point, non-linear regression, 4-parameter curve with bottom constrained to reference control bottom and unconstrained top anchored to DMSO.
10952	3	mTor Assay Protocol	The substrate was prepared in base reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO), and required cofactors were added to the substrate solution. The mTor kinase was delivered into the substrate solution, and the solution was gently mixed. Testing compounds were dissolved in 100% DMSO to specific concentration. The serial dilution was conducted by Integra Viaflo Assist in DMSO. The compounds were delivered into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), and the reaction mixture was incubated for 20 min at room temperature. Then, 33P-ATP (Specific activity 10 &#956;Ci/&#956;l) was delivered into the reaction mixture to initiate the reaction. The reaction mixture was incubated for 2 hours at room temperature. Radioactivity was detected by a filter-binding method. Kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
10953	1	PRMT5:MEP50 FlashPlate Assay	The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plus histone H4 [methyl 3H]-L-arginine. The assay was carried out using Streptavidin-coated FlashPlates (Perkin Elmer), which contained a scintillant embedded in the plastic of the plate. The histone H4 peptide substrate was conjugated with biotin, which binds to the streptavidin-coated well of the plate, placing the H4 peptide in close proximity to the side well and the scintillant. The transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the bound histone H4 peptide generated a radiolabeled histone H4, which was quantitated by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted in the presence of 20u MTA. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound was 50 &#956;M. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 3 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 40 nM histone H4 peptide (amino acids 1-15)-Biotin conjugate for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 &#956;M tritiated S-adenosyl methionine (final concentration) and the reaction is allowed to proceed for 20 min. The reaction was stopped and the amount of bound, tritiated H4 peptide in each sample was determined using a scintillation counter. The IC50 value for each compound was calculated from each 10-point dose-response curve for samples plus and minus MTA using GraphPad Prism software.
10953	2	PRMT5:MEP50 FlashPlate Assay without MTA	The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plus histone H4 [methyl 3H]-L-arginine. The assay was carried out using Streptavidin-coated FlashPlates (Perkin Elmer), which contained a scintillant embedded in the plastic of the plate. The histone H4 peptide substrate was conjugated with biotin, which binds to the streptavidin-coated well of the plate, placing the H4 peptide in close proximity to the side well and the scintillant. The transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the bound histone H4 peptide generated a radiolabeled histone H4, which was quantitated by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted in the absence of MTA. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound was 50 &#956;M. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 3 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 40 nM histone H4 peptide (amino acids 1-15)-Biotin conjugate for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 &#956;M tritiated S-adenosyl methionine (final concentration) and the reaction is allowed to proceed for 20 min. The reaction was stopped and the amount of bound, tritiated H4 peptide in each sample was determined using a scintillation counter. The IC50 value for each compound was calculated from each 10-point dose-response curve for samples plus and minus MTA using GraphPad Prism software.
10954	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
10955	1	Evaluation of RAF Kinase Activity	ormula (I) bis-hydrochloride salt prepared in Example 2 (hereinafter referred to as Compound&#8901;2HCl ) was tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 (C-RAF)Y340D/Y341D, B-RAF wild type and B-RAFV600E using Kinase Profiling Service (Thermo Fisher Scientific, previously Invitrogen, U.S.A) according to the manufacturer&#39;s instructions. The levels of enzymatic inhibition of the compound were calculated as percent inhibition at various concentrations. Based on percent inhibition, dose-response curves were plotted using GraphPad Prism software.
10957	1	STING SPA Binding Assay	The human STING SPA binding assay measures displacement of tritium labeled 2&#8242;,3&#8242;cGAMP (cyclic (guanosine-(2&#8242;->5&#8242;)-monophosphate-adenosine-(3&#8242;->5&#8242;)-monophosphate) to biotinylated STING protein. A soluble version of recombinant STING was expressed in E. coli that lacks the four transmembrane domains and contains residues 139-379 of Q86WV6 with an Rat position 232 (H232R). Based on the allele frequency of 58% of the population, H232R is considered to be a wild type (Yi, et. al., &#147;Single Nucleotide Polymorphisms of Human STING can affect innate immune response to cyclic dinucleotides&#148; PLOS ONE. 2013, 8(10), e77846). The STING construct has an N-terminal HIS tag, followed by a TEV protease cleavage site and an AVI tag to allow directed biotinylation by BirA biotin ligase (Beckett et al., A minimal peptide substrate in biotin holoenzyme synthetase-catalyzed biotinylation. (1999) Protein Science 8, 921-929). The HIS tag is cleaved after purification and prior to biotinylation.The assay was run in 1536-well plates in a total volume of 8 &#956;L per well by adding 8 nM [3H]-2&#8242;3&#8242;-cGAMP and 40 nM biotin-STING protein in assay buffer [25 mM HEPES (Corning 25-060-C1) pH 7.5, 150 mM NaCl (Sigma S5150), 0.5 mg/mL BSA (Gibco 15260-037), 0.001% Tween-20 (Sigma P7949), molecular grade water (Corning 46-000-CM)]. Test compounds (80 nL) were added with an acoustic dispenser (EDC Biosystems) in 100% DMSO for a final assay concentration of 1% DMSO. Plates were centrifuged for 1 min and incubated for 60 min at room temperature. Finally, (2 &#956;L) polystyrene streptavidin SPA beads (PerkinElmer RPNQ0306) were added and plates were sealed and centrifuged for 1 min at room temperature. Plates were dark adapted for 2 h and read on a ViewLux (Perkin Elmer) for 12 min per plate. A saturation binding curve for [3H]-2&#8242;3&#8242;-cGAMP showed a KD of 3.6±0.3 nM for binding to STING, comparable to reported values for the natural ligand (Zhang et al., Cyclic GMP-AMP containing mixed phosphodiester linkages is an endogenous high-affinity ligand for STING.Other natural ligands including cyclic-di-GMP also returned values in this assay within the expected range. Reference compound is cGAMP and results are reported as percent inhibition and IC50 values. Binding to mouse STING used a construct similar to the one described above containing residues 138-378 of Q3TBT3.
10957	2	STING SPR Binding Assay	Compounds were analyzed on an S200 biacore SPR instrument (GE Healthcare). E. coli produced truncated STING protein was immobilized on a series S streptavidin chip via biotin capture (GE Healthcare #BR100531) with. Compounds were screened at 1:2 dilutions from 100 uM to 0.195 uM in run buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 0.005% P20, 1 mM TECEP). Steady state affinity and kinetic evaluations were carried out using 1:1 binding model (STING was treated as a dimer). Run parameters were as follows: 60 sec on, 300 sec off for the IFM compounds, cyclic-di-GMP (60 sec on/60 sec off), thiol isomer 1 (60 sec on/300 sec off) and cGAMP (60 sec on/1200 sec off) with a flow rate of 50 &#956;L/min and data collection at 40 Hz at 25° C.
10958	1	Opioid Receptor Binding Assay	The measurement of opioid receptor binding affinity was conducted using a radioligand binding assay on the membranes prepared from HEK293 cells (human embryonic kidney cell line) that were heterologously expressed for the recombinant human mu, delta or kappa opioid receptors.The assay buffers used for opioid receptor binding studies were 50 mM Tris.HCl (pH 7.4) for KOR, 50 mM Tris.HCl (pH 7.4) with 5 mM MgCl2 for MOR, and 50 mM Tris.HCl (pH 7.4) with 10 mM MgCl2 plus 1 mM EDTA for DOR. The wash buffer solution contained 50 mM Tris.HCl with pH 7.4.The opioid receptor binding affinity were compared to three known standards: Naltrindole, U-50488 (trans-(+)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]phenylacetamide, see M. Doi, T. Ishida and M, Inoue; Structure of K-agonist, U-50488 Acta Cryst. (1990). C46, 676-678), and DAMGO (D-Ala2 MePhe4,Gly(ol)5]encephalin, see Allan D. Blake, George Bot, John C. Freeman, and Terry Reisine Differential Opioid Agonist Regulation of the Mouse m Opioid Receptor* THE JOURNAL OF BIOLOGICAL CHEMISTRY Vol. 272, No. 2, Issue of January 10, pp. 782-790, 1997).The radio ligands were prepared at the final concentration of 0.5 nM for [3H]DAMGO, 0.5 nM for [3H]diprenorphine, and 0.5 nM for [3H] DADLE, which were used as the competing radioligands for mu, kappa and delta receptor respectively.Cell membrane of HEK293 cells transfected with opioid receptors was prepared in the amount of 20 ug of MOR, 6.7 ug of KOR and 6.7 ug of DOR per each well respectively. These membranes containing the receptor of interest were incubated with increasing concentrations of test compound in the presence of a single concentration of radioligand. The fixed concentration of the radioligand was used and serial dilutions of the test compound were prepared.Testing started at 10 uM of testing compound to 4-fold serial dilution for 8-points detection. 1 &#956;l of compounds/high control/low control was transferred in to the 96 well plates according to the plate map, and then 100 &#956;l of membrane stock solution was dispensed into the plate followed by 100 &#956;l of radio ligand solution. The well plated were incubated for 1 hour at room temperature with 300 rpm gentle agitation. Then, soaked the Unifilter-96 GF/C filter plates with 50 &#956;l of 0.3% Poly ethyleneimine per well for at least 0.5 hour at room temperature, and filtered the reaction mixture through the plates using FilterMate harvester, then wash each plate for four times with cold wash buffer. The filter plates are then dried for 1 hour at 50° C. After drying, the filter was sealed in polyethylene and adds 50 &#956;l of Perkin Elmer Microscint 20 cocktail and the radioactivity counted in a Perkin Elmer MicroBeta2 counter.Specific binding is determined by subtraction of the Bound CPM values in the presence of 50-100× excess of cold ligand. Data is fitted using the saturation analysis non-linear curve fitting routines in Prism . Calculation of the inhibition was conducted using following equation: % Inhibition=(1&#8722;(Assay well&#8722;Average_LC)/(Average_HC&#8722;Average_LC))*100%Binding data was analyzed using GraphPad Prism 5.0 and IC50 data was generated by non-linear regression from dose response curves. Use the model log (inhibitor) vs. response Variable slope was used to fit the data.
10959	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assays	The ability of the macrocyclic peptides of the present disclosure to bind to PD-L1 was investigated using a PD-1/PD-L1 Homogenous Time-Resolved Fluorescence (HTRF) binding assay.MethodsHomogenous Time-Resolved Fluorescence (HTRF) Assays of Binding of Soluble PD-1 to Soluble PD-L1. Soluble PD-1 and soluble PD-L1 refers to proteins with carboxyl-end truncations that remove the transmembrane-spanning regions and are fused to heterologous sequences, specifically the Fc portion of the human immunoglobuling G sequence (Ig) or the hexahistidine epitope tag (His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between PD-1-Ig/PD-L2-His (20 and 5 nM, respectively), CD8O-His/PD-L1-Ig (100 and 10 nM, respectively) and CD80-His/CTLA4-Ig (10 and 5 nM, respectively). Binding/competition studies between biotinylated Compound No. 71 and human PD-L1-His were performed as follows. Macrocyclic peptide inhibitors were pre-incubated with PD-L1-His (10 nM final) for 60 minutes in 4 &#956;l of assay buffer followed by addition of biotinylated Compound No. 71 (0.5 nM final) in 1 &#956;l of assay buffer. Binding was allowed to equilibrate for 30 minutes followed by addition of europium crypated labeled Streptavidin (2.5 pM final) and APC-labeled anti-His (20 nM final) in 5 &#956;l of HTRF buffer. The reaction was allowed to equilibrate for 30 m and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
10960	1	Inhibition of FAP&#945; In Vitro Enzymatic Activity Assay	FAP&#945; enzymatic exopeptidase (dipeptidase) activity assay. To assay baseline FAPa enzymatic exopeptidase activity, 40 ng of recombinant human FAP&#945; (rhFAP&#945;, R&S system, #3715-SE) or 40 ng of recombinant mouse FAP&#945; (rmFAP&#945;, R&S system, #8647-SE) was incubated with 100 &#956;M of Z-Gly-Pro-AMC peptide (BACHEM, #L-1145) in a FAP&#945; assay buffer (50 mM Tris pH 7.4, 100 mM NaCl, 0.1 mg/ml bovine serum albumin) for 1 h at 37° C. protected from light in 96-well black plates (Nunc, #237108). To assay FAP&#945; enzymatic exopeptidase activity inhibition by test compounds, all test compounds were pre-incubated with the enzyme for 15 min at 37° C. before starting the reaction by substrate addition in 96-well black plates (Nunc, #237108). 7-Amino-4-Methylcoumarin (AMC) release was detected by measuring fluorescence at Ex/Em 380/460 nm using a Multifunction Microplate Reader (Synergy 4, Biotek). All measurements were carried out in duplicate. Val-boroPro, a non-specific prolyl peptidase inhibitor, was used as a positive control. 
10960	2	DPPIV Enzymatic Activity Assay	DPPIV enzymatic activity assay. To assay baseline dipeptidyl peptidase-4 (DPPIV) activity, 40 ng of recombinant human DPPIV (rhDPPIV) (R&S system, #1180-SE) or 40 ng of recombinant mouse DPPIV (rmDPPIV) (R&S system, #954-SE) was incubated with 400 &#956;M of H-Gly-Pro-pNA substrate (BACHEM, #L-1880) in a DPPIV assay buffer (25 mM Tris, pH 8.3) for 30 min at 37° C. protected from the light in 96-well black plates (Nunc, #237108). To assay DPPIV inhibition by test compounds, test compounds were pre-incubated with the enzyme for 15 min at 37° C. before starting the reaction by substrate addition in 96-well black plates (Nunc, #237108). Para-nitroaniline (pNA) release was detected by measuring absorbance at 405 nm using a Multifunction Microplate Reader (Synergy 4, Biotek). All measurements were carried out in triplicate. Val-boroPro, a non-specific prolyl peptidase inhibitor, was used as a positive control.
10960	3	PREP Enzymatic Activity Assay	PREP enzymatic activity assay. To assay baseline prolyl endopeptidase (PREP) activity, 20 ng of recombinant human PREP (rhPREP) (R&S system, #4308-SE) or 20 ng of recombinant mouse PREP (rmPREP) (R&S system, #6339-SE) was incubated with 100 &#956;M of Z-Gly-Pro-AMC peptide (BACHEM, #L-1145) in a PREP assay buffer (25 mM Tris, 250 mM NaCl, 10 mM DTT, pH 7.5) for 30 min at 37° C. protected from light in 96-well black plates (Nunc, #237108). To assay PREP activity inhibition by test compounds, test compounds were pre-incubated with the enzyme for 15 min at 37° C. before starting the reaction by substrate addition in 96-well black plates (Nunc, #237108). 7-Amino-4-Methylcoumarin (AMC) release was detected by measuring fluorescence at Ex/Em 380/460 nm using a Multifunction Microplate Reader (Synergy 4, Biotek). All measurements were carried out in triplicate. Val-boroPro, a non-specific prolyl peptidase inhibitor, was used as a positive control.
10960	4	DPP9 Enzymatic Activity Assay	DPP9 enzymatic activity assay. To assay baseline dipeptidyl peptidase 9 (DPP9) activity, 40 ng of recombinant human DPP9 (rhDPP9) (R&S system, #5419-SE) was incubated with 100 &#956;M of H-Gly-Pro-AMC peptide (BACHEM, #L-1215) in a DDP9 assay buffer (50 mM HEPES, pH 8) for 30 min at 37° C. in 96-well black plates (Nunc, #237108). To assay rhDPP9 activity inhibition by test compounds, test compounds were pre-incubated with the enzyme for 15 min at 37° C. before starting the reaction by substrate addition in 96-well black plates (Nunc, #237108). 7-Amino-4-Methylcoumarin (AMC) release was detected by measuring fluorescence at Ex/Em 380/460 nm using a Multifunction Microplate Reader (Synergy 4, Biotek). All measurements were carried out in triplicate. Val-boroPro, a non-specific prolyl peptidase inhibitor, was used as a positive control.
10961	1	In-Vitro Human Glycolate Oxidase (hGOX) Assay	The in-vitro glycolate oxidase assay was performed using recombinant full-length human hydroxyacid oxidase 1 (HAO1), the equivalents of hGOX. The enzyme was obtained from AbCam (Catalog #ab113144) and was purified using conventional chromatography to >95% purity. Purified HAO1 was dissolved in assay buffer consisting of 10 mM NaCl, 110 mM KCl, 2 mM MgCl2, 50 mM HEPES (pH 7.4), and 0.01% Triton X-100. The assay used Corning 3575 384-well flat bottom, low flange, non-binding surface, black polystyrene plates.Test compounds in DMSO were preincubated at different concentrations with purified recombinant human GO (6 nM) for 10 min, followed by the addition of glycolate substrate (85 &#956;M) to start the reaction. The plates were incubated for 10 min at room temperature, at which point Amplex red reagent (50 &#956;M) was added.The fluorescence intensity signal was measured on a VariosKan LUX instrument using an excitation of 560 nm and an emission of 590 nm. The IC50 values were calculated using Graphpad Prism. 
10962	1	Inhibition of MTHFD2	To determine the IC50 value of a compound, an 11-concentration dose-response curve with 3-fold difference in concentration between assay points was generated by using an acoustic dispenser (Echo 550 Liquid handler, Labcyte). Each assay point was run in duplicate and the assay was performed in a white 384-well ProxiPlate Plus (6008280, PerkinElmer). DMSO was used as negative control. The serial dilution in DMSO, from compound DMSO stock solution, was created by dispensing from a 384-well low dead volume microplate (LP-0200, Labcyte) and a 384-well polypropylene microplate 2.0 (PP-0200, Labcyte). A total of 2.5 &#956;L MTHFD2 was preincubated with compound or DMSO for 10 min. The enzymatic reaction was initiated by adding 2.5 &#956;L folitixorin (F680350, Toronto Research Chemicals). For background control, 5 &#956;L buffer was added to the well. Final concentrations of the components in the assay were 3.4 nmol/L MTHFD2, 5 &#956;mol/L folitixorin and 250 &#956;mol/L NAD+. The final concentrations of all reagents in a total assay volume of 5 &#956;L per well were 50 mmol/L Tris-HCl at pH 8.0, 100 mmol/L NaCl, 5 mmol/L MgCl2, 25 mmol/L Na3PO4 at pH 8.0, 0.005% (v/v) Tween-20, and 2 mmol/L 2-mercaptoethanol. After 15 min reaction time, 5 &#956;L NAD(P)H-Glo detection reagent (G9061 or G9062, Promega) was dispensed in all wells and the plate was incubated for 60 min. Luminescence was measured on a plate reader (Envision, PerkinElmer or Sense, Hidex). The light signal produced is proportional to the amount of NAD(P)H in the sample. 
10963	1	Fluorescence Polarization (FP) Assay	The compounds binding to MDM2 were determined by a quantitative fluorescence polarization binding assay using a recombinant MDM2 protein and fluorescently labeled peptide probes using a BioTek Cytation 5 machine. Compounds were tested in 10% DMSO, 100 mM potassium phosphate pH 7.2, 100 ug/ml bovine &#947;-globulin, 0.02% (w/v) sodium azide and 0.01% (v/v) triton X-100. KI values of tested compounds were determined in a dose-dependent competitive binding experiment by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism software.
10963	2	Isothermal Titration Calorimetry (ITC) Assay	ITC experiments were run on a Malvern MicroCal Auto-ITC200 or ITC200 machine. Titration experiments were run in 20 mM Phosphate, 150 mM NaCl and 1 mM DTT at pH 7.3. Compounds were loaded in the syringe and tested at mM concentrations with DMSO up to 6.5%. MDM2 protein concentrations in the cell ranged from 20-100 &#956;M.
10964	1	Method of Inhibiting HDAC8	Further provided herein are methods of inhibiting HDAC8 mediated deacetylation of p53. In one aspect, the method includes contacting HDAC8 with a HDAC8 inhibitor as described herein, thereby inhibiting HDAC8 mediated deacetylation of p53. The inhibition of HDAC8 may allow for acetylation and activation of p53, thereby mediating cell apoptosis. The contacting may be performed in vitro or in vivo. The contacting may be performed in vitro. The contacting may be performed in vivo. The contacting may be performed in an organism. The inhibition of HDAC8 mediated deacetylation of p53 may be monitored by techniques known in the art, including for example, fluorescent and colorimetric assays.
10965	1	CYP Inhibition Assay	The effect of compounds IV-6, IV-7, and V-4 on Cytochromes P450 (CYP) inhibition was evaluated. For each isozyme, microsomes-buffer-substrate mixture (MBS mix) is prepared by premixing appropriate volumes of buffer, microsomes and substrate. MBS mixture (179 &#956;L) is transferred to a 96-well reaction plate. An aliquot (1 &#956;L) is spiked from corresponding wells of Test Item stock solution plate to reaction plate. The reaction plate is pre-incubated for 5 minutes at 37° C. Reaction is initiated by the addition of 20 &#956;L of NADPH solution. Each experiment is performed in duplicate. Reaction plate is incubated for predetermined time at 37° C. and quenched using either 200 &#956;L of acetonitrile (for CYP2C9, CYP2D6, CYP2C19 and CYP3A4) or 200 &#956;L of a mixture of 70:30 1% formic acid:acetonitrile (for CYP1A2).
10966	1	In vitro kinase inhibition assay	An in vitro kinase assay was performed to evaluate the kinase suppression activity of the most promising cytotoxic candidates 4b, 4j against four different receptor tyrosine kinases (RTKs) - namely epidermal growth factor receptor (EGFR), human epidermal growth factor receptor (HER2), vascular endothelial growth factor receptor-2 (VEGFR-2) and platelet-derived growth factor receptor (PDGFR). The activities of the examined compounds against EGFR, HER2, PDGFR-&#946;, and VEGFR2 were in vitro tested using Abcam&#39;s Human In cell ELISA Kit (ab 126419) for EGFR, ADP-Glo TM Kinase Assay for Her2, PDGFR-&#946;, active, recombinant protein expressed in Sf9 cells for VEGFR2 (KDR) Kinase Assay Kit Catalog No. 40325, respectively. 
10967	1	Enzyme Activity Assay:	The inhibition of the sample on VAP-1 enzyme activity was measured by using an Amplex Red Monoamine Oxidase kit (Invitrogen #A12214). 100 nL of the gradiently-diluted to-be-tested compound (solvent DMSO) was added to a 384-well plate. 25 &#956;L of 10 nM VAP-1 enzyme solution was added and incubated for 30 minutes at room temperature. A substrate mixture of VAP-1 enzyme (200 &#956;M Amplex Red, 1 U/mL HRP, 1 mM Benzylamine) was added and incubated for 60 minutes at room temperature. After the incubation, the fluorescent signal was read with a microplate reader Envision (excitation light wavelength 530-560 nm, emission light wavelength 590 nm). The fluorescence signal value after the background signal was removed was analyzed by Prism software, and the IC50 of the sample against the VAP-1 enzyme was calculated.
10968	1	In Vitro Assay: DHODH Enzymatic Assay	The following assay is referred to herein as the DHODH Enzymatic Assay. To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5 mM CoQ6, and 1 mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
10969	1	Biological Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.
10970	1	Inhibitory Activity (In Vitro)	The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the website of PerkinElmer (U-TRF #38) and a patent of GlaxoSmithKline (WO2012135113).To measure the inhibitory activity, first, the Example compound was serially diluted in dimethylsulfoxide (DMSO). Sequentially, the serially diluted solution of the Example compound in DMSO (final concentration of DMSO: 5%) and human LSD1 protein (Abcam, ab80379) were added to a reaction buffer (25 mM Tris-HCl (pH 7.5), 50 mM KCl, 2 mM CHAPS, 1 mM DTT, 0.02% BSA). The mixture was preincubated at 25° C. for 30 minutes. Thereafter, a H3K4 (Mel)-biotin-labeled peptide (Anaspec #64355) (final concentration: 200 nM) was added thereto and reacted for 60 minutes. Tranylcypromine (final concentration: 3 mM) was then added thereto to terminate the reaction. Thereafter, a detection solution containing an Eu-labeled anti-H3K4 antibody (PerkinElmer, TRF0404) and Streptavidin Alexa Fluor 647 (Thermo Fisher Scientific, S21374) was added thereto, and the mixture was allowed to stand at room temperature for 1 hour. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at two wavelengths: 620 nm and 665 nm. The demethylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which demethylation was inhibited by 50% was defined as IC50 (nM).
10971	1	In Vitro Activity Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5.). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.
10972	1	Biological Assay	The ability of a compound to block the intracellular release of calcium mediated by PK1 in RBL2H3 cells expressing human PKR1 receptors is determined as a measure of the compound&#39;s antagonist activity in vitro.Approximately 10,000 cells per assay well are seeded in normal culture medium in a 384 well plate (Corning). Twenty-four hours after seeding, the cells are loaded with a calcium sensitive fluorescent dye by replacing the culture medium with assay buffer (1× Hanks buffered saline, 25 mM HEPES, 0.1% w/v fatty acid free BSA (bovine serum albumin), pH 7.4) containing 1 mM probenecid and 1× Calcium 5 Reagent (Molecular Devices). Cells are incubated at 37° C. for 1 hour to allow for dye uptake.To test for antagonist activity, test compounds at a final concentration range between 0.32 nM-10 &#956;M (diluted in assay buffer) are added to the assay wells and allowed to incubate for 10 minutes prior to stimulation with PK1. After incubation with test compounds the assay plate is placed in a FLIPR Tetra (Molecular Devices) and PK1 (diluted in assay buffer) is added at the determined EC80 concentration (final). Ligand-dependent changes in intracellular calcium levels are determined by measuring changes in fluorescence of the dye at 525 nM following to excitation at 485 nM.
10973	1	LANCE Ultra TR-FRET Assay	The test compounds were dissolved in DMSO, and subjected to a 3-fold serial gradient dilution for 10 times. AXL kinase was transferred with different concentrations of pre-diluted compounds to a 384-well test plate and mixed for 10 minutes, in duplicate. The substrate and ATP were added to initiate the reaction, and incubated at room temperature for 90 minutes. The final reaction concentrations in the system were: 3 nM AXL, 4.75 uM ATP, 50 nM peptide, 50 mM Hepes pH7.5, 1 mM EGTA, 10 mM MgCl2, 0.01% Brij-35, and 2 mM DTT. The maximum concentration of the test compounds was 300 nM. After the reaction, the detection reagent containing 2 nM antibody and 10 mM EDTA was added and incubated at room temperature for 60 minutes. Finally, the enzyme activity in the presence of the compounds of the present disclosure at each concentration was measured by an Evnvision microplate reader, and the inhibition of the enzyme by the compounds at each concentration was calculated. The inhibitions of the enzyme activity by the compounds at different concentrations were then fitted using Graphpad 5.0 software according to the four-parameter equation, and the IC50 values were calculated.
10974	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Equal volumes of His-tagged CRBN-DDB1 complex (56 nM) was mixed with Eu-cryptate labeled Anti-6HIS-monoclonal antibody (50× dilution from the commercial stock solution, Vender: Cisbio, Cat. #61HI2KLA) in a final buffer containing 20 mM HEPES pH 7.0, 150 mM NaCl, 0.005% Tween-20. The solution was then mixed with Cy5-labeled thalidomide (final 8 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration 200 &#956;M). The mixture were incubated at room temperature for 1 hour. FRET signals were measured on an EnVision plate reader (Perkin Elmer) by exciting at 340 nm and recording emission at both 615 nm as no FRET control and 665 nm as the FRET signals with a 60 microsecond delay. FRET efficiency was calculated as the ratio of fluorescent signals at 665 nM/615 nM. Quantitative loss of FRET efficiency as a function of compound concentrations was fitted by a four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
10975	1	Fluorescence Polarization Assay (0.25% in DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes.
10975	2	Fluorescence Polarization Assay (1% in DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes.
10975	3	Fluorescence Polarization Assay (10% in DMSO)	Ability of VHL ligands to compete for the HIF 1 a binding site on VCB was determined through a fluorescence polarization competition assay as described in Buckley et al. JACS, 2012, 134, 4465-4468, WO 2013/106643, and US 2014-0356322, which are incorporated herein by reference in their entirety for all purposes.
10976	1	Brk Inhibitory Activity Assay	Measurement of an inhibitory activity on Brk enzyme was performed by using LanthaScreen (registered trademark) system (Invitrogen) in accordance with the attached manual. Reagents used are described below.Reaction Buffer: A solution containing 50 mmol/L HEPES (pH 7.5), 0.01% Brij 35, 10 mmol/L MgCl2 and 1 mmol/L EGTA was prepared by using purified water.A solution of a test substance (the compound of the present invention): A solution of each concentration of a test compound in DMSO was diluted 20-fold with Reaction Buffer, and a solution containing a test compound at a concentration 5 times a final concentration was prepared.An enzyme solution: A solution containing 480 ng/mL of Brk enzyme was prepared by using Reaction Buffer.A substrate solution: A solution containing 57 &#956;mol/L of ATP and 500 nmol/L of Fluorescein-Poly GT (Invitrogen) was prepared by using Reaction Buffer.A detection solution: A solution containing 20 mmol/L of EDTA and 4 nmol/L of PY20 (Invitrogen) was prepared by using Dilution B (Invitrogen).To a 96-well plate (Nunc), a solution of 10 mmol/L of a test compound in DMSO was dispensed, and further, a dilution series at a common ratio of three was prepared by using DMSO. To each of wells of the 96-well plate for the measurement, 5 &#956;L of Reaction Buffer containing DMSO was added for a blank group and a vehicle group and 5 &#956;L of a test substance solution was added for a test substance group. Next, 10 &#956;L per well of Reaction Buffer was added for the blank group, and 10 &#956;L per well of the enzyme solution was added for the vehicle group and the test compound group, and thereafter, the mixture was stirred at room temperature for 10 minutes. After completion of stirring, 10 &#956;L of the substrate solution was added to each of wells, and the mixture was stirred at room temperature under a shading condition for 1 hour. After completion of the reaction, 25 &#956;L of the detection solution was added to each well, and the mixture was left to stand at room temperature under a shading condition for 30 minutes. After being left standing, fluorescence intensities at 520 nm and 495 nm were measured by using Analyst GT (Molecular Devices, LLC) when being irradiated with an excitation light at 340 nm. The phosphorylation of the artificial substrate was quantified by Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET). With regard to each well, the TR-FRET ratio was calculated by divining the fluorescence signal at 520 nm by the fluorescence signal at 495 nm, and the inhibition rate (%) in the test compound group was calculated according to the following Numerical Formula 1.Inhibition rate (%)={1&#8722;(TR-FRET ratio of test compound group&#8722;A)/(B&#8722;A)}×100&#8195;&#8195;[Numerical Formula 1]
10976	2	Lck Inhibitory Activity Assay	Tyrosine phosphorylation of Lck was performed by using Z&#8242;-LYTE Kinase Assay Kit-Tyr 2 Peptide (Invitrogen) containing the following reagents (Tyr 2 Peptide, Tyr 2 Phospho-Peptide, 5× Kinase Buffer, ATP, Coloring Reagent A, Coloring Buffer, and Stop Reagent) and Lck. The Lck activity was determined by using Fluorescence Resonance Energy Transfer (FRET) method.A dilute solution (5 &#956;L) of the compound of the present invention in dimethylsulfoxide (DMSO; Sigma-Aldrich Co. LLC) was added to a 96-well assay plate. In addition, Peptide/Kinase Buffer composed of DL-dithiothreitol (DTT; 2 mM), Tyr 2 Peptide (2 &#956;M), Kinase Buffer and Lck was added to the assay plate, and the reaction solution was preincubated at 25° C. for 20 minutes. Then, ATP solution (5 &#956;L) composed of adenosine triphosphate (ATP; 45 &#956;M) and Kinase Buffer was added, and the reaction solution was incubated at 25° C. for 1 hour. After incubation, Coloring Solution A (10 &#956;L) composed of Coloring Reagent B and Coloring Buffer was added, and the reaction solution was incubated at 25° C. for 1 hour. Stop Reagent (10 &#956;L) was added to each well such that the enzymatic reaction stopped. The fluorescent coloring of each well was measured on a fluorescent plate reader by using wavelengths of 445 nm and 520 nm. The ratio of phosphorylation was determined by a ratio of coloring at 445 nm to that at 520 nm according to the attached manual.
10956	1	Jurkat Latency Reversal Assay	Jurkat HIV-luciferase clones were maintained in RPMI medium 1640 (Gibco by Life Technologies) containing 10% (vol/vol) fetal bovine serum (SAFC/Sigma-Aldrich) and 25 units/mL penicillin, 25 units/mL streptomycin (Gibco by Life Technologies), and were split 1:4 every 3 to 4 days to maintain a cell density of 0.3 to 1 million cells/mL. The Jurkat clones were maintained with the addition of 500 nM EFV in the medium. Three Jurkat cell clones (C16, I15, and N6), each harboring one or two integrated HIV proviruses expressing the luciferase reporter gene, were added at equal amounts for a total of 5,000 cells per well to 384-well plates containing compound titrations. Dose-response testing was performed on compounds dissolved in dimethyl sulfoxide (DMSO, Fisher Scientific, Merelbeke, Belgium) dispensed in duplicate serial 3-fold, 14-point titrations using a D300e Digital Droplet Dispenser (Hewlett-Packard) to give final assay concentrations of 10 &#956;M to 2.1 pM in 50 &#956;L of medium at 0.5% DMSO (vol/vol) final concentration. Cells and compound were incubated at 37° C. for 48 hours, unless otherwise indicated, followed by the addition of 20 &#956;L of Steady-Glo Luciferase (Promega). Luminescence resulting from the induction of the virally expressed luciferase was measured using an EnVision 2102 Multilabel Plate Reader (Perkin Elmer). Dose-response relationships were analyzed with GraphPad PRISM 6 using a four-parameter logistic regression model to calculate the concentration of compound that gives half-maximal response (EC50) and the maximal percent activation compared to the vehicle control.
10977	1	Antiviral activity from SARS-CoV-2 infection	 The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay format that utilizes luciferase to measure intracellular ATP as an endpoint. In brief, VeroE6 cells that are enriched for hACE2 expression were batched inoculated with SARS-CoV-2 (USA_WA1/2020) at a multiplicity of infection of 0.002 in a BSL-3 lab. Virus-inoculated cells were then added to assay-ready compound plates at a density of 4,000 cells/well. Following a 3-day incubation, a time at which virus-induced cytopathic effect is 95% in the untreated, infected control conditions, cell viability was evaluated using Cell Titer-Glo (Promega), according to the manufacturer s protocol, which quantitates ATP levels. Cytotoxicity of the compounds was assessed in parallel non-infected cells. Test compounds are tested either alone or in the presence of the P-glycoprotein (P-gp) inhibitor CP-100356 at a concentration of 2 µM. The inclusion of CP-100356 is to assess if the test compounds are being effluxed out of the VeroE6 cells, which have high levels of expression of P-glycoprotein. Percent effect at each concentration of test compound was calculated based on the values for the no virus control wells and virus-containing control wells on each assay plate. The concentration required for a 50% response (EC50) value was determined from these data using a 4-parameter logistic model. EC50 curves were fit to a Hill slope of 3 when >3 and the top dose achieved &#8805; 50% effect. If cytotoxicity was detected at greater than 30% effect, the corresponding concentration data was eliminated from the EC50 determination.
10978	1	Rapid-Fire MS Biochemical Assay measuring Mpro activity (12.5nM Mpro)	 Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Distilled Water (Catalog # 10977015, Thermo Scientific). The Mpro enzyme stock consisted of a 25nM solution of Mpro made in buffer. The substrate solution stock consisted of a 10 µM solution of Mpro peptide (AVLSGFRKK (SEQ ID NO:2); Purchased from Vivitide) made in buffer. The quench solution consisted of a 200 nM solution of 2% acetic acid spiked with 200 nM of the internal standard peptide (13C AVLQ; Purchased from Vivitide).The Rapidfire Mass Spectrometry setup consisted of a Rapidfire autosampler platform (Agilent) coupled with a Sciex 6500 QQQ Mass Spectrometer (Sciex). A C18 Rapidfire cartridge type C (Catalog # G9205A) was used in the analysis, the load solvent consisted of 0.1% formic acid flowed at 1.5 mL/min and the elute solvent consisted of 75% acetonitrile, 5% isopropal alcohol, 20% ultrapure distilled water with 0.1% formic acid. MS transitions were created for the substrate peptide AVLQSGFRKK (SEQ ID NO:3) (378.6 Da 482.6 Da), product peptide AVLQ (430.3 Da- 260.4Da) and the internal standard peptide 13C AVLQ (434.3 Da- 288.3 Da) Compound plates were prepared in 384 Echo plate (cat# LPL0200, Labcyte) and the starting concentration of compound was 10 mM, then 1 to 3 serial dilution in 100% DMSO, 8 µl/ well). To generate assay ready plates, 50 nl compounds were transferred to a 384-well clear assay plate using an Echo 555 Liquid Handler (Labcyte).5 µL of Mpro enzyme solution was dispensed in each well throughout entire plate (Col 1-24) using buffer distributor (Multidrop ComB1 from Thermo Scientific) with 5 µL of assay buffer only dispensed to no enzyme control in Col 24. Enzyme allowed to preincubate with compounds for 15 minutes at room temperature (25°C) prior to starting reaction by addition of 5 µL of substrate peptide solution to all wells in the plate (Col 1-24). The plates were incubated for 30 minutes at room temperature with a final volume of 10 µl/ well buffer, such that the compound concentration was 200-fold of final concentration. Final assay concentrations were 12.5 nM Mpro and 5 µM substrate peptide. After incubation, reaction was quenched by adding 40 µL of quench solution and plates were analyzed by the Rapidfire/Sciex MS platform.Mass spectral data was analyzed as ratiometric measurements between the integrated areas of the peak for the product peptide and the labeled internal standard peptide for each sample (Multiquant, Sciex). Percent activity measurements were calculated comparing each ratio of product/Internal standard from compound treatments to the ratios calculated for the DMSO only wells with and without enzyme (Neutral and active controls respectively). Mpro Inhibitor qualified absolute IC50 values (concentration of inhibitor that inhibits Mpro activity at least 50%), were determined with 8 inhibitor concentrations measured in duplicate for each inhibitor. The qualified absolute IC50 was calculated by non-linear regression analysis to sigmoidal-logistic curves by HELIOS (PROD 2) system.
10978	2	Rapid-Fire MS Biochemical Assay measuring Mpro activity (5nM Mpro)	 Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Distilled Water (Catalog # 10977015, Thermo Scientific). The Mpro enzyme stock consisted of a 10 nM solution of Mpro made in buffer. The substrate solution stock consisted of a 10 µM solution of Mpro peptide (AVLSGFRKK (SEQ ID NO:2); Purchased from Vivitide) made in buffer. The quench solution consisted of a 2% acetic acid solution spiked with 200 nM of the internal standard peptide (13C AVLQ; Purchased from Vivitide).The Rapidfire Mass Spectrometry setup consisted of a Rapidfire autosampler platform (Agilent) coupled with a Sciex 6500 QQQ Mass Spectrometer (Sciex). A C18 Rapidfire cartridge type C (Catalog # G9205A) was used in the analysis, the load solvent consisted of 0.1% formic acid flowed at 1.5 mL/min and the elute solvent consisted of 75% acetonitrile, 5% isopropal alcohol, 20% ultrapure distilled water with 0.1% formic acid. MS transitions were created for the substrate peptide AVLQSGFRKK (SEQ ID NO:3) (378.6 Da 482.6 Da), product peptide AVLQ (430.3 Da- 260.4Da) and the internal standard peptide 13C AVLQ (434.3 Da- 288.3 Da) Compound plates were prepared in 384 Echo plate (cat# LPL0200, Labcyte) and the starting concentration of compound was 10 mM, then 1 to 3 serial dilution in 100% DMSO, 8 µl/ well). To generate assay ready plates, 10 nl of compound were transferred to a 384-well clear assay plate using an Echo 555 Liquid Handler (Labcyte).5 µL of Mpro enzyme solution was dispensed in each well throughout entire plate (Col 1-24) using buffer distributor (Multidrop Combi from Thermo Scientific) with 5 µL of assay buffer only dispensed to no enzyme control in Col 24. Enzyme allowed to preincubate with compounds for 15 minutes at room temperature (25^C) prior to starting reaction by addition of 5 µL of substrate peptide solution to all wells in the plate (Col 1-24). The plates were incubated for 120 minutes at room temperature with a final volume of 10 µl/ well buffer, such that the compound concentration was diluted 1000-fold to final concentration. Final assay concentrations were 5 nM Mpro and 5 µM substrate peptide. After incubation, reaction was quenched by adding 40 µL of quench solution and plates were analyzed by the Rapidfire/Sciex MS platform.Mass spectral data was analyzed as ratiometric measurements between the integrated areas of the peak for the product peptide and the labeled internal standard peptide for each sample (Multiquant, Sciex). Percent activity measurements were calculated comparing each ratio of product/Internal standard from compound treatments to the ratios calculated for the DMSO only wells with and without enzyme (Neutral and active controls respectively). Mpro Inhibitor qualified absolute IC50 values (concentration of inhibitor that inhibits Mpro activity at least 50%), were determined with 8 inhibitor concentrations measured in duplicate for each inhibitor. The qualified absolute IC50 was calculated by non-linear regression analysis to sigmoidal-logistic curves by HELIOS (PROD 2) system.
10979	1	USP7 assay	Dilute the compounds to 400 x of the final desired highest inhibitor concentration in reaction by 100% DMSO. For all compounds, transfer the compounds to one well in a 384-well Echo plate and serially dilute the compound by 3-fold dilution of 100% DMSO in the next well and so forth for a total of 10 concentrations by Precision. Add 30&#956;L of 100% DMSO to two empty wells for no compound control and no enzyme control in the same 384-well Echo plate. Make the plate as a source plate.
10980	1	Enzyme inhibition assay and Ki values determination	To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presence and absence of 25 µM compound using the fluorescent peptide Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 (SEQ ID NO: 5) (GenScript Biotech NJ, USA) as the reporter substrate at a concentration of 15 µM. Compounds were incubated with Mpro for 20 min at room temperature in reaction buffer composed of 20 mM Tris-HCL, pH 7.3, 100 mM NaCl, 1 mM EDTA, 1 mM DTT and 0.02% Tween-20. Hydrolysis of the fluorescent peptide was monitored at an emission wavelength of 460 nm with excitation wavelength at 360 nm, using a TECAN M200 plate reader (TECAN, M nnedorf, Switzerland). Compounds that inhibited Mpro activity by less than 50% were considered inactive (Table 1).To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 40 nM to 4000 nM with two-fold dilutions) and hydrolysis of 15 µM fluorescent peptide was monitored. Initial hydrolysis rates of fluorescent peptide were plotted as a function of compound concentrations and Ki values were obtained by fitting the data into the Morrison equation with standard error from triplicates.
10981	1	In Vitro Kinase assay (CDK7) and IC 50 determination	The kinase assay was carried out by Sundia MediTech Co., Ltd.
10982	1	Scintillation Proximity Assay	Receptor SPA binding assays were performed in white 96-well plates in a total volume of 200 mI per well. Freeze dried analogues were dissolved in 80% dimethyl sulfoxide, 20% H20 and serial dilutions (1:10) were performed in binding buffer (20 mM Tris-HCI pH 7.4, 5 mM MgAc2, 2 mM EGTA and 0.1% ovalbumin); the final assay concentrations ranging from 1 mM to 1 pM. Analogues and 7.5-50 pg of CRFi receptor membranes/well or 0.5 pg of CRF2 receptor membranes/well were added to assay plates. A mix of wheat germ agglutinin coated SPA beads (PerkinElmer) and [125l]-Sauvagine (PerkinElmer), both in binding buffer, was added to yield 0.4 mg beads/well and 50,000 cpm of radio ligand per well. Plates were sealed and incubated at 25 °C for 2 hours in a plate shaker set at 400 rpm and thereafter centrifuged at 1500 rp for 10 minutes. SPA plates were let to stand at room temperature for about 16 hours prior to reading on microplate scintillation counter. Displacement of radioligand was measured as reduction in luminescence, and IC50 values were calculated by nonlinear regression analysis of four parameter sigmoidal dose-response curves.
10983	1	KRAS/SOS1 nucleotide exchange HTRF Assay	Reaction buffer was prepared with 10 mM HEPES 7.4, 150 mM NaCl, 5 mM MgCl2, 1 mM DTT, 0.05% BSA, 0.0025% NP40, and 0.5% DMSO. Recombinant KRAS G12C protein (Recombinant human KRAS G12C mutant; wt Genbank accession# NM_033360.3; aa 2-169, expressed in E. coli with N-terminal GST fusion; MW 46 kDa) was preincubated with the anti-GST Tb antibody (Cisbio, category# 61GSTTLB) for 1 h at rt. SOS1 (Recombinant human SOS1; Genbank accession# NM_005633.3; aa 564-1049, expressed in E. Coli with C-terminal StrepII; MW=60.6 kDa) was prepared in reaction buffer. Compounds in 100% DMSO were added to assay wells with SOS1 reaction mixture (10 µL per well) using acoustic liquid dispensing (Echo 550 Series, Labcyte) and incubated for 15 minutes at rt. GTP-DY-647P1 was added to the GST-KRAS/anti-GST Tb antibody mixture and 5 uL of mixture was added to assay wells to a final assay volume of 15 µL. This mixture consisted of recombinant KRAS G12C (30 nM final concentration), recombinant SOS1 (20 nM final concentration) and GTP-DY-647P1 (150 nM final concentration). The reaction was monitored for 40 minutes at rt using Envision plate reader (Perkin Elmer; Ex/Em = (320-75/665-7.5; 615-8.5). Data analysis was performed when the reaction was linear, corresponding with the HTRF signal at approximately 20 min after addition of GTP-DY-647P1 and GST-Kras/anti-GST Tb antibody mixture. The background (wells with buffer only; no SOS1 protein added) subtracted signals were converted to % activity relative to DMSO controls. Data was analyzed using GraphPad Prism 4 with sigmoidal dose-response (variable slope); 4 parameters with Hill Slope.
10984	1	General M6PR Binding Assay	M6PR binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a reference M6Pn ligand linked to Cy5 was synthesized. Test compounds were resuspended in DMSO and 3-fold serial dilutions were made at 100x final concentrations. Binding reactions were conducted in 100 µl final volume in 20 mM HEPES (pH 7.5) 100 mM NaCl 0.015% Tween-201% DMSO with 100 nM M6PR (Domains 1-9, R&D Systems) and 1 nM probe. Fluorescence polarization was measured using &#955;ex = 620 nm, &#955;em = 688 nm on an Envision plate reader (Perkin Elmer) after 2 hr incubation time. Dose responses were conducted in duplicate and normalized to the response with DMSO (high) and 1 µM reference compound (low) on each plate. IC50 values were determined by fitting to 4-parameter curves in GraphPad Prism.
10985	1	Inhibition of ALK Tyrosine Kinase Activity	The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their ability to inhibit kinase activity of baculovirus-expressed ALK using a modification of the ELISA protocol reported for trkA in Angeles, T. S. et al., Anal. Biochem. 1996, 236, 49-55, which is incorporated herein by reference. Phosphorylation of the substrate, phopholipase C-gamma (PLC-&#947;) generated as a fusion protein with glutathione-S-transferase (GST) as reported in rotin, D. et al., EMBO J. 1992, 11, 559-567, which is incorporated by reference, can be detected with europium-labeled anti-phosphotyrosine antibody and measured by time-resolved fluorescence (TRF). In this assay, 96-well plate is coated with 100 &#956;L/well of 10 &#956;g/mL substrate (phospholipase C-&#947; in tris-buffered saline (TBS). The assay mixture (total volume=100 &#956;L/well) consisting of 20 nM HEPES (pH 7.2, 1 &#956;MATP (Km level), 5 nM MnCl2, 0.1% BSA, 2.5% DMSO, and various concentrations of test compound is then added to the assay plate. The reaction is initiated by adding the enzyme (30 ng/mL ALK) and is allowed to proceed at 37 degrees C. for 15 minutes. Detection of the phosphorylated product can be performed by adding 100 &#956;L/well of Eu N1 labeled PT66 antibody (Perkim Elmer #AD0041). Incubation at 37° C. for one hour, followed by addition of 100 &#956;L enhancement solution (for example Wallac #1244-10). The plate is gently agitated and after thirty minutes, the fluorescence of the resulting solution can be measured (for example using EnVision 2100 multilabel plate reader from Perkin Elmer).
10986	1	High Throughput Syk Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte ). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 &#956;L reaction mixture contained 20 &#956;M ATP, 1 &#956;M biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 &#956;L of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. 
10987	1	Radioligand Competition Binding Assay	For competition binding experiments, 0.5 mg of the rat brain homogenates in 800 &#956;L of binding buffer (2 mM MgCl2 in 50 mM Tris*HCl, pH=7.4) were incubated on a thermoshaker at 37° C. for 30 min with 100 &#956;L (R)-11C-3 or (R)-18F-11 and 100 &#956;L of the compound over a range of concentrations (from 0.1 to 100 nM). Nonspecific binding was defined as the residual binding observed in the presence of 1 mM levetiracetam (100 &#956;L). At completion of the incubation period, the membrane-bound radioligand was recovered using rapid filtration through GF/B glass fiber filters (13 mm GD/X, Whatman Inc.) which were pre-soaked for at least 30 min in 0.5% polyethyleneimine (PEI). The membranes were washed twice with 1 mL of ice-cooled binding buffer. The binding mixtures, filters and filtrates were counted using cross-calibrated gamma counters (1480 & 2480 WIZARD; Perkin-Elmer). Values of IC50 were calculated using the GRAPHPAD PRISM software and converted to inhibition constants (Ki) by the Cheng-Prusoff equation.
10988	1	3CLpro Inhibitory Activity Assay	The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined using fluorescence resonance energy transfer.10 &#956;L of the compound solutions prepared at different concentrations (final concentrations of 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.90, 1.95 nM, in DMSO) and 40 &#956;L of SARS-CoV-2 3CLpro (Shanghai Biyuntian Biotechnology Co., Ltd., final concentration: 0.5 &#956;M, diluted with Tris-HCl buffer (20 mM Tris-HCl, 100 mM NaCl, 1 mM EDTA, pH 7.4)) were mixed, added to a black 96-well plate, incubate at 37° C. for 10 min. A reaction was initiated by adding 50 &#956;L of the fluorescent substrate Dabcyl-KTSAVLQSGFRKME-Edans (Shanghai Biyuntian Biotechnology Co., Ltd., the final concentration: 20 &#956;M), incubated for 10 min, and measured by a multifunctional microplate reader (Thermo Fisher Scientific Co., Ltd., Varioskan Flash) for fluorescence detection, the excitation wavelength: 340 nm, the emission wavelength: 490 nm. The fluorescence value was recorded to calculate the inhibition percentage of the sample. DMSO without compound was used as the enzyme activity control, and the Tris-HCl buffer without SARS-CoV-2 3CLpro was used as the blank control, and the treatment methods were the same. The IC50 values of the samples (compounds 1-9) were calculated by nonlinear regression analysis using GraphPad Prism software.Inhibition Rate (%)=(RFUenzyme activity control&#8722;RFUsample)/(RFUenzyme activity control&#8722;RFUblank control)×100%
10989	1	Inhibition Assay	Certain of the compounds prepared as described above were assayed to determine their IC50 for inhibition of T. gondii CDPK1 (tgCDPK1). At least three independent replicates of the assay were conducted for each compound tested. 
10990	1	Surface Plasmon Resonance (SPR) Assay	SPR studies were performed using a Biacore&#153; T200 instrument (GE Health Sciences Inc.). The BCL6 BTB protein used in the FP assay was biotinylated using the site specific biotinylating enzyme BirA, and then cleaved with TEV protease to produce the BCL6 BTB domain (biotin-thrombin-BCL6 amino acids 1-129; 17 kd) that were use in SPR. This protein was stably captured (1000RU) to streptavidin coupled SA chips (BR-1005-31, GE Health Sciences Inc.) according to the manufacture&#39;s protocol. Compounds were dissolved in 100% DMSO at 10 mM and 2-fold serial dilutions were done in 100% DMSO. For SPR analysis the serially titrated compounds were diluted 1/20 into buffer (10 mM HEPES pH7.4, 150 mM NaCl, 0.05% Tween-20, 3 mM EDTA) giving a final concentration of 5% DMSO. The Biacore flow rate was set at 100 ul/min. For KD determinations, single cycle kinetic analysis was performed with an on time of 60 seconds, and an off time of 300 seconds. Curve fitting and KD calculations were done with the Biacore T200 Evaluation software (GE Health Sciences Inc).
10991	1	Inhibitory Activity on mTOR Kinase	The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN technology (Lifetechnologies). The reaction substrate (400 nM final), the serial dilutions of the molecules (1% DMSO final) and the enzyme (<1 nM) are successively added to a 384-well plate (Corning 4514) in a final volume of 10 &#956;L per well. After 1 hour of reaction at room temperature, 10 &#956;L of a solution containing 10 mM final of EDTA and 2 nM final of terbium-labeled antibodies are added. After at least 30 minutes of incubation at room temperature, the TR-FRET signal is measured with a suitable microplate reader according to the supplier&#39;s recommendations. The data are normalized with positive controls ( POS containing a saturating concentration of reference inhibitor) and negative controls ( NEG containing 1% DMSO): % inhibition=((X&#8722;NEG)*100)/(POS&#8722;NEG). The IC50 values are calculated using a 4-parameter logistic model with the aid of the XLFit software (IDBS)
10992	1	SHP2 Allosteric Inhibition Assay	The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffers containing 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, and 5 mM DTT.0.33 nM of SHP2 was co-incubated with of 0.5 &#956;M of bisphos-IRS1 peptide (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) and various concentrations of compounds for 30-60 min at room temperature. Then the reaction was initiated by addition of the surrogate substrate DiFMUP (Invitrogen, Cat #D6567, 100 uM final).The real-time conversion of DiFMUP to DiFMU (6,8-difluoro-7-hydroxyl-4-methyl-coumarin) was measured every 5 min for 30 min using a microplate reader (CLARIOstar, BMG Labtech) with excitation and emission wavelengths of 340 nm and 450 nm, respectively. Initial reaction rates were determined by linear fitting of the data and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control-based normalization.
10993	1	DNMT1 Inhibition Assay	The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 &#956;L) containing 50 mM Tris-HCl pH 8.0, 100 mM KCl, 50 ug/mL BSA, 2 mM DTT, 1 &#956;M freshly prepared [Me-3H]-SAM, 1 &#956;M 26 bp hemimethylated DNA substrate and varying concentrations of each inhibitor (0-100 1 &#956;M), incubated at 37° C. with 100 nM DNMT1. The reaction fractions (50 &#956;L) were taken at 2 hours. The methylated DNA was purified by using Micro Bio-spin P-30 columns (Bio-Rad). Purified samples were mixed with 10 mL of scintillation liquid (PerkinElmer), and counted for radioactivity in a Tricarb 2910 TR scintillation counter (PerkinElmer). The values obtained in the absence of DNMT1 in the reaction were used as controls. The assay data were analyzed using GraphPad Prism for IC50 calculations. 
10994	1	Enzymatic Assay	Compounds are assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-tagged Mpro (NC_045512) is cloned, expressed in E. coli and purified. The assay buffer contains 20 mM of Tris-HCl (pH 7.3), 100 mM of NaCl, 1 mM of EDTA, 5mM of TCEP and 0.1% BSA. The final concentrations of the Mpro protein and substrate are 25 nM and 25 &#956;M, respectively, in the Mpro enzymatic assay. The Km of the Mpro substrate for the protease was 13.5 &#956;M.The compounds are added to an assay plate. For 100% inhibition control (HPE, hundred percent effect), 1 &#956;M GC376 is added. For no inhibition control (ZPE, zero percent effect), no compound is added. Each activity testing point has a relevant background control to normalize the fluorescence interference of compound.IC50 values of compounds are calculated with the GraphPad Prism software using the nonlinear regression model of log(inhibitor) vs. response Variable slope (four parameters). 
10995	1	Evaluation of LSD1 Enzyme Activity	The purpose of this assay was to detect the inhibitory activity of the compounds against LSD1 in vitro. The enzyme used in this assay was human LSD1 and the standard substrate was histone H3K4me peptide (20 M); the activity of the compounds was determined by the enzyme fluorescence coupling method using a combination of horseradish peroxidase (HRP) and Amplex Red to detect the H2O2 generated after the reaction. The IC50 values of the compounds were measured at 10 concentrations after 3 times dilution from 10 &#956;m. Before the compound was added to the substrate to start the reaction, enzyme and substrate were incubated for 30 minutes. Fluorescence detector: EnVision, excitation wavelength: Ex/Em=530/590 nM.
10996	1	Microscale Thermophoresis Assay	The binding affinity of COMPOUND I and compounds of the invention to human sRAGE (the soluble extracellular domain of the human receptor for advanced glycation endproducts) was measured using microscale thermophoresis.Microscale Thermophoresis System (Monolith NT.115 Pico, NanoTemper, Inc) was used to determine the binding affinity of COMPOUND I and metabolites M1, M2, M3, M5, M6 and M7 to recombinant human sRAGE. sRAGE was labeled with NT-647-NHS fluorescence dye. Around 5 nM sRAGE was subsequently added to compounds at concentrations from 600 nM to 20 pM and incubated for 5 minutes at 25° C. in buffer containing 25 mM Hepes (pH 7.5), 5 mM CaCl2), 5 mM MgCl2, 50 mM NaCl, 0.05% Tween20 and 1% DMSO before proceeding to microscale thermophoresis.
10997	1	Biochemical Assay	Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are probably due to unknown artifacts or indirect binding events. Next, we turned our attention to previously reported studies on kinase profiling and quantitative chemical proteomics. These studies suggested that a widely known lung cancer drug erlotinib, which targets EGFR, might also bind to ILK as an off target. By performing a robust fluorescence-based binding assay, we found that the FDA approved drug Erlotinib (TARCEVA) indeed binds potently to purified recombinant ILK at KD 0.43M, which is very close to the affinity of Erlotinib to EGFR measured at the same experimental conditions (KD 0.31 &#956;M). Another erlotinib-like EGFR inhibitor Gefitinib exhibited 10-fold weaker binding affinity to ILK (KD 4.51 &#956;M) yet 3-fold stronger affinity to EGFR (KD 0.11 &#956;M) than erlotinib.
10998	1	Kinase Assay for EGFR	The assay is performed in a Black 384-well plate (available from Corning). EGFR kinase (is diluted in TR-FRET Dilution Buffer (PV3189, InVitrogen) at concentration of 0.4 ug/ml as stock solution, and then 2-fold serial diluted. Addition of 1 mM ATP initiated the reaction, and the reaction is incubated for 111 reaction at room temperature. 10 &#956;L of the Tb-antibody (from InVitrogen)+EDTA (from InVitrogen) solution prepared was added to each well of the assay plate and mix briefly, and incubated for 30 min. The signal is monitored by using M5 microplate reader (Ex=332 nm, Em=488 nm and 518 nm). Each compound is tested in duplicate wells. EGFR without compound is used as control. Staurosporine (available from Sigma) is used as positive control compound. Inhibition was calculated as percentage of the EGFR activity (without compound). Each compound in Examples 1 to 7 showed >50% inhibition at 100 nM.
10998	2	Kinase Assay for ErbB2	The assay is performed similarly to the kinase assay for ErbB2 as described above, except ErbB2 kinase protein is used instead of EGFR kinase protein. Each compound in Examples 1 to 7 showed >50% inhibition at 100 nM.
10999	1	Rapid-Fire Mass Spectrum (RFMS) Assay	Compounds were solubilized in 100% DMSO to achieve a 10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions were prepared in DMSO and mixed 8 times with 20 &#956;L mixing volume. Final top concentration of compound in the assay is 50 &#956;M. Final assay conditions were as follows:Reaction volume: 26 &#956;lAssay buffer: 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 &#956;M Calcium, and 5 &#956;M TPENFinal concentrations: 5 nM hPAD4 enzyme, 250 &#956;M BAEE, and 0.5% DMSOTotal incubation time: 30 mins compound and enzyme preincubation at 37° C., 90 min enzyme/substrate reaction, 30 min reaction with phenyl glyoxal at 37° C.Stop solution: 40 &#956;l 5% TCA in ACN
11000	1	Enzyme Activity Inhibitory Assay	Kinase Assay:Preparation of buffers, the buffer included 50 mM HEPES (pH 7.5), 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA.After the buffer was formulated, the enzyme and substrate were mixed with different concentrations of the compound prepared in advance, and placed at room temperature for 15 minutes. ATP was added to start reaction, and the reaction solution was incubated at room temperature for 90 minutes (positive and negative controls were set). 10 &#956;L of reaction system included 2.5 &#956;L compound, 5 &#956;L mixture of enzyme and substrate, and 2.5 &#956;L ATP. After the reaction was completed, the antibody was added to test and incubated at room temperature for 60 min, then was detected by Evnvision and data was collected. Data analysis and mapping was conducted with XLfit5 software.
11001	1	Flash plate assay	Compounds were solubilized, and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (20 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.002% Tween20, 1 mM TCEP, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 30 &#956;l in assay buffer, with 300 nM histone H4 based AcH4-23 (Anaspec: AS-65002) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 2.5 nM and the compounds were allowed to preincubate for 20 minutes at 37° C. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer: NET155001MC) to final concentration of 1 &#956;M. Following a 30 minutes incubation at 37° C., the reaction was stopped by adding 25 &#956;L of 8M Guanidine HCl. Prepare streptavidin YSI SPA beads (Perkinelmer: RPNQ0012) at 0.3 mg/mL in assay buffer. To each reaction, add 150 &#956;L of SPA beads suspension, and incubated while shaking at room temperature for 30 minutes. The plate was centrifuged at 100×g for 30 second before reading in a scintillation counter. IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
11001	2	HotSpot Assay	HotSpot Assay. Compounds were solubilized and 3-fold diluted in 100% DMSO. These diluted compounds were further diluted in the assay buffer (50 mM Tris-HCl, pH 8.5, 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, 1% DMSO) for 10-dose IC50 mode at a concentration 10-fold greater than the desired assay concentration. Standard reactions were performed in a total volume of 50 &#956;l in assay buffer, with histone H2A (5 &#956;M final) as substrate. To this was added the PRMT5/MEP50 complex diluted to provide a final assay concentration of 5 nM and the compounds were allowed to preincubate for 15 to 20 minutes at room temperature. The reaction was initiated by adding S-[3H-methyl]-adenosyl-L-methionine (PerkinElmer) to final concentration of 1 &#956;M. Following a 60 minutes incubation at 30° C., the reaction was stopped by adding 100 &#956;L of 20% TCA. Each reaction was spotted onto filter plate (MultiScreen FB Filter Plate, Millipore), and washed 5 times with PBS buffer, Scintillation fluid was added to the filter plate and read in a scintillation counter.
11002	1	ADP-Glo Kinase Assay	A control material and a test material were prepared for each concentration, in such a way that they were diluted by means of DMSO. At the same time, ATP (250 uM) and JAK substrate (JAK1, IRS-itide 40 ng/mL) were prepared, in such a way that they were diluted by means of kinase buffer (40 mM Tris-HCl pH 7.5, 20 mM MgCl2, 0.5 mg/mL BSA, 50 uM DTT).A test drug for each concentration, substrate, ATP and JAK enzyme were mixed in an eppendorf tube, and reacted in a 30° C. incubator for 40 minutes.ADP-Glo reagent contained in ADP-Glo Kinase Enzyme System (Promega, USA, V9571) was added into each eppendorf tube, and reacted in a 30° C. incubator for 40 minutes. A kinase detection reagent contained in ADP-Go Kinase Enzyme System was inserted into the eppendorf tube, then an integration time was set to 1 second by using Wallac Victor 2 , then luminescence was measured, and then JAKs phosphorylation inhibition ability of the test material was analyzed. The concentration of the compound, which causes 50% of the JAK enzyme activity inhibition in comparison With the control group, was determined as IC50 (nM) of an inhibitor, wherein the results thereof are shown in a following table 1.
11003	1	Molecular Level Experiments of Targeting LC3B 	By constructing a prokaryotic expression system, the LC3B protein was expressed and purified, and a preliminary screening and verification platform was established using fluorescence polarization experiments to determine the activity of synthesized small compound libraries.The recombinant protein GST-LC3B (final concentration 180 nM, SEQ ID NO: 1) and N-terminal FITC-labeled peptide (SEQ ID NO: 2, final concentration 18 nM) were placed in the FP buffer (50 mM HEPES pH 7.5, 0.1 mg/mL BSA and 1 mM DTT), to which a compound serially diluted with the FP buffer was added. Then the resulting mixture was incubated at 25° C. in the dark. The fluorescence polarization value (PerkinElmer Envision, emission wavelength 480 nm; absorption wavelength 535 nm) was monitored, and the IC50 value was calculated using the GraphPad Prism 6.0 program.
11004	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 50 &#956;l and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA 0.005% Brij-35, 5 mM DTT.The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.25 nM of SHP2 was incubated with of 0.5 LM of peptide IRSl_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-anide). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567, 100 &#956;M final) was added to the reaction and the conversion of DiFMUP to 6,8-difluoro-7-hydroxyl-4-methylcoumarin (DiFMU) was monitored continuously for 10 minutes with excitation at 355 nm and emission at 460 nm using a microplate reader (PolarStar, BMG). The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
11005	1	Binding Assay ATR (tracer A)	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer A or B in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer A solution (3&#8242;,6&#8242;-bis(dimethylamino)-N-(4-{[2-(1H-indol-4-yl)-6-(morpholin-4-yl)pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[2-benzofuran-1,9&#8242;-xanthene]-5-carboxamide =0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition). Usually the compounds were tested on the same MTP in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM). The dilution series were prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions in duplicate values for each concentration. IC50 values were calculated by a 4 parameter fit using standard software (GraphPad prism or equivalent).
11005	2	Binding Assay ATR (tracer B)	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (MTP, Greiner Bio-One, Frickenhausen, Germany). To prepare the ATR-working solution, ATR/ATRIP stock solution was diluted in assay buffer [50 mM HEPES (pH 7.0), 10 mM MgCl2, 1 mM DTT, 0.01% (w/v) Igepal, 0.01% (w/v) BSA] to 4.2 nM protein concentration (concentration may vary from lot to lot of protein preparation). AntiGST-Tb antibody was diluted to 4.2 nM. The ATR-working solution was incubated for 30 min at 22° C. prior to dispensing to pre-form the complex of antiGST-Tb+GST-ATR+ATRIP. Then, 3 &#956;l of the ATR-working solution were added to the test compound and the mixture was incubated for 10 min at 22° C. to allow pre-binding of the test compounds to ATR/ATRIP. Then, 2 &#956;l of a 100 nM solution of either tracer A or B in assay buffer were added to the ATR-working solution. The resulting mixture was incubated for 30 min at 22° C. The measurement of the TR-FRET signal was performed in a standard HTRF-compatible MTP reader instrument (e.g. BMG Pherastar) by recording the fluorescence emissions at 545 nm and 570 nm after excitation at 337-350 nm. The ratio between emission at 570 nm divided by emission at 545 nm was calculated to give the well ratio. The experimental data (well ratios) were normalised by the following way: positive control contained ATR-working solution plus either tracer B solution (3&#8242;,6&#8242;-bis(dimethylamino)-N-[4-({2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl}oxy)butyl]-3-oxo-3H-spiro[2-benzofuran-1,9&#8242;-xanthene]-5-carboxamide =0% inhibition), the negative control contained all components except GST-ATR/ATRIP (=100% inhibition). Usually the compounds were tested on the same MTP in 11 different concentrations in the range of 20 &#956;M to 0.1 nM (20 &#956;M, 5.9 &#956;M, 1.7 &#956;M, 0.51 &#956;M, 0.15 &#956;M, 44 nM, 13 nM, 3.8 nM, 1.1 nM, 0.33 nM and 0.1 nM). The dilution series were prepared separately before the assay on the level of the 100 fold concentrated solutions in DMSO by serial 1:3.4 dilutions in duplicate values for each concentration. IC50 values were calculated by a 4 parameter fit using standard software (GraphPad prism or equivalent).
11006	1	Cell Adhesion Assay	Evaluation of cell attachment to extracellular matrix proteins was performed as previously described by Yokosaki et al, J. Biol. Chem., 271: (39): 24144-24150 (1996). Briefly, wells of non-tissue culture-treated polystyrene 96-well flat-bottom microtiter plates (Linbro/Titertek, Flow Laboratories, McLean, Va.) were coated by incubation with 100 &#956;l of each substrate in PBS at 37° C. for 1 hour. 96-well flat-bottomed tissue culture plates were coated with human plasma fibronectin for 1 hour at 37° C. After incubation, wells were washed with PBS, then blocked with 1% bovine serum albumin (BSA) for one hour. Control wells were filled with 1% BSA. SW480 cells were detached using 10 mM EDTA and resuspended in serum-free DMEM. For blocking experiments, cells were incubated with 10 &#956;g/ml of the antibody for 15 minutes at 4° C. before plating. The plates were centrifuged at 10 g for 5 minutes before incubation for 1 hour at 37° C. in humidified 5% CO2. Nonadherent cells were removed by centrifugation (top side down) at 10 g for 5 minutes. Attached cells were stained with 0.5% crystal violet, and the wells were washed with PBS. The relative number of cells in each well was evaluated after solubilization in 40 &#956;l of 2% Triton X-100 by measuring absorbance at 595 nm in a microplate reader. All determinations were carried out in triplicate.
11007	1	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays	A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 &#956;M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
11008	1	Biochemical CaMK1D Enzymatic Activity Assay	The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is used to generate light in a luciferase reaction. The assay is used to assess the effect of compounds on the activity of purified CaMK1 D.Materials and Solutions:All reagents are from Sigma-Aldrich unless otherwise specified. ADP-Glo Kinase Assay (Promega, V9102). His-tagged CaMK1D_1-385 (Fisher Scientific, PR6770A). Autocamtide-2 (SignalChem, A15-58). Calmodulin (Merck, 208694). 1M Tris-HCl pH7.5 (Fisher Scientific, 10123722). 1M DTT (Fisher Scientific, 10674545). Calcium chloride (C1016). Magnesium Chloride (M8266). DMSO (D8418). Autocamtide-2 provided as a lyophilised powder and prepared as a 10 mM stock in MilliQ water. RB: 50 mM Tris-HCl pH 7.5, 10 mM MgCl2, 0.1 CaCl2), just prior to use 1M DTT was added to a final concentration of 2 mM.Assay Protocol: 7.88 &#956;L reaction mixture (including: calmodulin, Autocamtide-2, CaMK1 D in RB) was incubated with 12 &#956;L test compound in 100% DMSO. To start the reaction 4 &#956;L of ATP mixture were added. Final assay concentrations: 3 nM CaMK1D, 1 &#956;M Calmodulin, 125 &#956;M Autocamtide-2 and 10 &#956;M ATP. Plates were incubated at 25C for 2 hours prior to the 1:1 addition of ADP-Glo reagent. Plates were incubated for a further 1 hour prior to the 1:1 addition of ADP-Glo substrate. After 30 minutes plates read with the EnVision Multilabel Plate Reader, using Luminescence 700. Compound IC50 was determined using a 4-parameter equation and are reported in nM.
11009	1	3CLpro Inhibitory Activity Test	The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined using fluorescence resonance energy transfer.10 &#956;L of the compound solutions prepared at different concentrations (final concentrations of 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.90, 1.95 nM, in DMSO) and 40 L of SARS-CoV-2 3CLpro (Shanghai Biyuntian Biotechnology Co., Ltd., final concentration: 0.5 &#956;M, diluted with Tris-HCl buffer (20 mM Tris-HCl, 100 mM NaCl, 1 mM EDTA, pH 7.4)) were mixed, added to a black 96-well plate, incubate at 37° C. for 10 min. A reaction was initiated by adding 50 &#956;L of the fluorescent substrate Dabcyl-KTSAVLQSGFRKME-Edans (Shanghai Biyuntian Biotechnology Co., Ltd., the final concentration: 20 &#956;M), incubated for 10 min, and measured by a multifunctional microplate reader (Thermo Fisher Scientific Co., Ltd., Varioskan Flash) for fluorescence detection, the excitation wavelength: 340 nm, the emission wavelength: 490 nm. The fluorescence value was recorded to calculate the inhibition percentage of the sample. DMSO without compound was used as the enzyme activity control, and the Tris-HCl buffer without SARS-CoV-2 3CLpro was used as the blank control, and the treatment methods were the same. The IC50 values of the samples (compounds 1-18) were calculated by nonlinear regression analysis using GraphPad Prism software.Inhibition Rate (%)=(RFU enzyme activity control &#8722;RFU sample)/(RFU enzyme activity control &#8722;RFU blank control)×100%.
11010	1	TNIK Human STE Kinase Enzymatic Radiometric Assay	TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity and concentration as required). The reaction is initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%. 10 ul of the reaction is then spotted onto a P30 filter mat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.SUBSTRATE: 250 &#956;M RLGRDKYKTLRQITRACER: 33PATP CONCENTRATION: 70 &#956;MINCUBATION: 40 min at Room temperatureCONTROL INHIBITOR: 1-NM-PP1COMPOUND CONCENTRATION: 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M, 0.1 &#956;M, 0.03 &#956;M, 0.01 &#956;M, 0.003 &#956;M, 0.001 &#956;MCOMPOUND DILUTION SCHEME: All compounds supplied were prepared to a working stock of 50× final assay concentration in 100% DMSO. Where appropriate, more concentrated stocks were diluted manually to 50× using 100% DMSO. Compounds supplied as powders were reconstituted to a 10 mM stock in 100% DMSO before further dilution to 50×.ASSAY PROCEDURE: The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The reaction was initiated by the addition of ATP at the selected concentration. There was no pre-incubation of the compound with the enzyme/substrate mix prior to ATP addition. For further details of each individual assay, please refer to the website or the accompanying protocol document.DATA ANALYSIS: Data are handled using a custom built in-house analysis software. Results are expressed as kinase activity remaining, as a percentage of the DMSO control. This is calculated using the following formula:Mean &#8290; of &#8290; Sample &#8290; Counts - Mean &#8290; of &#8290; Blank &#8290; Counts Mean &#8290; of &#8290; Control &#8290; CountsFor IC50 determinations, data are analyzed using XLFit version 5.3 (ID Business Solutions).
11010	2	MAP4K4 Human STE Kinase Enzymatic Radiometric Assay	MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity and concentration as required). The reaction is initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%. 10 ul of the reaction is then spotted onto a P30 filter mat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.SUBSTRATE: 250 &#956;M RLGRDKYKTLRQITRACER: 33PATP CONCENTRATION: 200 &#956;MINCUBATION: 40 min at Room temperatureCONTROL INHIBITOR: StaurosporineCOMPOUND CONCENTRATION: 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M, 0.1 &#956;M, 0.03 &#956;M, 0.01 &#956;M, 0.003 &#956;M, 0.001 &#956;M.COMPOUND DILUTION SCHEME: All compounds supplied were prepared to a working stock of 50× final assay concentration in 100% DMSO. Where appropriate, more concentrated stocks were diluted manually to 50× using 100% DMSO. Compounds supplied as powders were reconstituted to a 10 mM stock in 100% DMSO before further dilution to 50×.ASSAY PROCEDURE: The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The reaction was initiated by the addition of ATP at the selected concentration. There was no pre-incubation of the compound with the enzyme/substrate mix prior to ATP addition. For further details of each individual assay, please refer to the website or the accompanying protocol document.DATA ANALYSIS: Data are handled using a custom built in-house analysis software. Results are expressed as kinase activity remaining, as a percentage of the DMSO control. This is calculated using the following formula:Mean of Sample Counts&#8722;Mean of Blank Counts/Mean of Control CountsFor IC50 determinations, data are analyzed using XLFit version 5.3 (ID Business Solutions).
11011	1	TBD	TBD
11011	2	TBD	TBD
11011	3	TBD	TBD
11011	4	TBD	TBD
11011	5	TBD	TBD
11011	6	TBD	TBD
11012	1	TNIK Human STE Kinase Enzymatic Radiometric Assay	The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The reaction was initiated by the addition of ATP at the selected concentration. There was no pre-incubation of the compound with the enzyme/substrate mix prior to ATP addition. For further details of each individual assay, please refer to the website or the accompanying protocol document. DATA ANALYSIS: Data are handled using a custom built in-house analysis software. Results are expressed as kinase activity remaining, as a percentage of the DMSO control. This is calculated using the following formula: Mean of Sample Counts&#8722;Mean of Blank Counts/Mean of Control Counts For IC50 determinations, data are analyzed using XLFit version 5.3 (ID Business Solutions).
11012	2	MAP4K4 Human STE Kinase Enzymatic Radiometric Assay	The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The reaction was initiated by the addition of ATP at the selected concentration. There was no pre-incubation of the compound with the enzyme/substrate mix prior to ATP addition. For further details of each individual assay, please refer to the website or the accompanying protocol document.DATA ANALYSIS: Data are handled using a custom built in-house analysis software. Results are expressed as kinase activity remaining, as a percentage of the DMSO control. This is calculated using the following formula:Mean &#8290; of &#8290; Sample &#8290; Counts - Mean &#8290; of &#8290; Blank &#8290; Counts Mean &#8290; of &#8290; Control &#8290; CountsFor IC50 determinations, data are analyzed using XLFit version 5.3 (ID Business Solutions).
11013	1	THP-1 Cells Pyroptosis Assay	1. Seed THP-1 cells (25,000 cells/well) containing 1.0 &#956;g/ml LPS in 40 &#956;l of RPMI medium (without FBS) in 96-well, black walled, clear bottom cell culture plates coated with poly-D-lysine (VWR #734-0317)2. Add 5p compound (8 points half-log dilution, with 100M top dose) or vehicle (DMSO 0.1% FAC) to the appropriate wells3. Incubate for 3 hrs at 37° C., 5% CO24. Add 5 &#956;l nigericin (Sigma #N7143) (FAC 5 &#956;M) to all wells5. Incubate for 1 hr at 37° C., 5% CO26. At the end of the incubation period, spin plates at 300×g for 3 mins and remove supernatant7. Then add 50 &#956;l of resazurin (Sigma #R7017) (FAC 100 &#956;M resazurin in RPMI medium without FBS) and incubate plates for a further 1-2 hrs at 37° C. and 5% CO28. Plates were read in an Envision reader at Ex 560 nm and Em 590 nm9. IC50 data is fitted to a non-linear regression equation (log inhibitor vs response-variable slope 4-parameters).
11014	1	Biological Assays of the SSAO Enzyme Inhibitors	Briefly, test compounds were dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM. Dose-response measurements were assayed by either creating 1:10 serial dilutions in DMSO to produce a 7 point curve or by making 1:3 serial dilutions in DMSO to produce 11 point curves. The top concentrations were adjusted depending on the potency of the compounds and subsequent dilution in reaction buffer yielded a final DMSO concentration &#8804;2%.Hydrogen Peroxide Detection:In a horseradish peroxidase (HRP) coupled reaction, hydrogen peroxide oxidation of 10-acetyl-3,7-dihydroxyphenoxazine produced resorufin, which is a highly fluorescent compound (Zhout and Panchuk-Voloshina. Analytical Biochemistry 253 (1997) 169-174; Amplex Red Hydrogen Peroxide/peroxidase Assay kit, Invitrogen A22188). Enzyme and compounds in 50 mM sodium phosphate, pH 7.4 were set to pre-incubate in flat-bottomed microtiter plates for approximately 15 min before initiating the reaction by addition of a mixture of HRP, benzylamine and Amplex reagent. Benzylamine concentration was fixed at a concentration corresponding to the Michaelis constant, determined using standard procedures. Fluorescence intensity was then measured at several time points during 1-2 h, exciting at 544 nm and reading the emission at 590 nm. For the human SSAO assay final concentrations of the reagents in the assay wells were: SSAO enzyme 1 ug/mL, benzylamine 100 uM, Amplex reagent 20 uM, HRP 0.1 U/mL and varying concentrations of test compound. The inhibition was measured as % decrease of the signal compared to a control without inhibitor (only diluted DMSO). The background signal from a sample containing no SSAO enzyme was subtracted from all data points. Data was fitted to a four parameter logistic model and IC50 values were calculated using the GraphPad Prism 4 or XLfit 4 programs.
11014	2	hERG Assay	Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophysiology. 8 Point concentration-response curves were generated on two occasions using 3-fold serial dilutions from the maximum assay concentration (11 uM). Electrophysiological recordings were made from a Chinese Hamster Lung cell line stably expressing the full length hERG channel. Single cell ion currents were measured in the perforated patch clamp configuration (100 ug/mL amphoterocin) at RT using an IonWorks Quattro instrument. The internal solution contained 140 mM KCl, 1 mM MgCl2, 1 mM EGTA and 20 mM HEPES and was buffered to pH 7.3. The external solution contained 138 mM NaCl, 2.7 mM KCl, 0.9 mM CaCl2, 0.5 mM MgCl2, 8 mM Na2HPO4 and 1.5 mM KH2PO4, and was buffered to pH 7.3. Cells were clamped at a holding potential of 70 mV for 30 s and then stepped to +40 mV for 1 s. This was followed by a hyperpolarising step of 1 s to 30 mV to evoke the hERG tail current. This sequence was repeated 5 times at a frequency of 0.25 Hz. Currents were measured from the tail step at the 5th pulse, and referenced to the holding current. Compounds were incubated for 6-7 min prior to a second measurement of the hERG signal using an identical pulse train. A minimum of 17 cells were required for each pIC50 curve fit.
11015	1	TBD	TBD
11017	1	IonWorks Quattro system	Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro Patch Plateb. Circulate amphotericin B and internal buffer onto cellsc. Apply the following voltage protocol: Pulse 1: 15 mV for 300 milliseconds (ms), followed by Pulse 2: &#8722;120 mV for 400 ms, then Pulse 3: &#8722;15 mV for 400 ms, and finally Pulse 4: &#8722;120 mV to 40 mV over 500 ms (this is a voltage ramp).d. Measure magnitude of inward potassium current at time point between 1200-1220 ms from start of Pulse 1 (i.e. during the voltage ramp phase).e. Add 3.5 ul of diluted compounds (or DMSO) to wells and repeat steps c-d (final compound concentrations are 50 uM to 0.1 uM, for potent compounds 0.5 uM to 0.01 uM and each concentration is tested in quadruplicate i.e. in 4 separate wells).f. The difference between current magnitude pre vs. post-compound gives a measure of GIRK1/4 inhibition.7. Data analysis:IC50 values are calculated by plotting the percentage of current inhibition (normalized to the DMSO-only control) as a function of compound concentration using standard data analysis software.
11018	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for 5-10 minutes. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).FGFR1 and FGFR2 were measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 &#956;M, respectively and FGFR2, 0.01 nM and 100 &#956;M, respectively. The enzymes were purchased from Millipore or Invitrogen.GraphPad prism3 was used to analyze the data. The IC50 values were derived by fitting the data to the equation for a sigmoidal dose-response with a variable slope. Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)) where X is the logarithm of concentration and Y is the response.
11019	1	Phospho cFMS Activity	Reagents and consumables were purchased from Sigma Aldrich, Gibco LifeTechnologies, BD Biosciences, Perkin Elmer, R&D Systems, Cell Signaling, Thermo Scientific (Pierce) and Santa Cruz Biotechnology. HEK293 cells overexpressing human cFMS (HEK293/hFMS) were cultured in RPMI media in T225 flasks and split twice a week. For the experiment, the cells were trypsinized, counted and diluted with serum-free Megacell media (Sigma Cat #M3817) to 600,000 cells/ml (30,000 cells/well). A serial dilution of test compounds was prepared by the Echo 555 (LABCYTE) using Echo LDV Plates, Cat #LP-0200; and 500 nl of each compound concentration was added to 96-well BD Biocoat poly-d-lysine plate (BD Cat #356640) in DMSO (0.5% final). 50 &#956;L/well MegaCell serum-free media was then added to cover compounds before adding cells at 50 &#956;L/well cells (30,000/well). The plates were spun down for 1 minute at 1000 rpm and then incubated on benchtop for 15-30 minutes; the plates were moved to a CO2 incubator at 37° C. for overnight incubation. White 96-well Perkin Elmer OptiPlates (Cat #6005509) were pre-coated with 50 ng/well (100 &#956;L/well) anti-cFMS/CSF-1R (C-20) (Santa Cruz Cat #sc-692) in PBS, sealed with a foil seal, spun down at 1000 rpm for one minute and incubated overnight at 4° C.On the following day, the pre-coated OptiPlates plates were blocked with 200 ul/well 1% BSA in 1× PBST (PBS with 0.1% Triton-X) at room temperature for 2-3 hours. In parallel, 100 &#956;L/well 2× hCSF1 (final 150 ng/ml) (R&D Systems, Cat #216-MC-025/CF) (or media as a negative control) was added to the HEK293/hFMS cells (BD culture plates) incubated overnight with compounds. On every plate 100% response (with CSF1 treatment) and 0% response (without CSF1) control columns were used to calculate percent inhibition of tested compounds and a Z&#8242; prime value. Plates were incubated at 37° C. for 10 minutes. Media/hCSF1 was aspirated off and cells were lysed with 100 ul/well pre-chilled lysis buffer made up with lysis buffer (Cell Signaling Cat #9803), protease/phosphatase inhibitors (Pierce Cat #78444), and PMSF (Sigma Cat #93482). Plates were shaken for 60 seconds; then, spun at 3200 rpm for 5 minutes at 4° C. and kept on ice. 90 ul of the lysate was transferred to the pre-coated/blocked OptiPlates. The plates were then spun at 1000 rpm for 60 seconds and incubated overnight at 4° C. sealed.The next day lysates were removed from the plates; and plates were washed with 300 &#956;L/well of 1× PBS 6 times using the Biotek washer. The remaining PBS on the plates was tapped out. 90 &#956;L/well of 1:10,000 anti-phospho-Eu (Tyr 100) (Perkin Elmer Cat #AD0159) in 1% BSA in PBST was added to the plates; and plates were incubated for one hour at room temperature sealed. After one hour, the antibody was removed and plates were washed 6 times with 300 &#956;L/well of PBST using the Biotek washer. 90 &#956;L/well enhancement solution (Perkin Elmer Cat #4001-0010) was added next and the plates were sealed and shaken for 5 minutes. The signal was read immediately on the Perkin Elmer Envision for time-resolved fluorescence with excitation at 320 nm and emission at 615 nm.The data were analyzed by Pipeline Pilot to calculate IC50 values.
11020	1	TBD	TBD
11021	1	Cbl-b Displacement Assay (Cbl-b Inhibition Assay high)	The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl-b with a fluorophore-labeled probe in the presence of the candidate compound. A truncated variant of Cbl-b (UniProt number Q13191; SEQ ID NO:1) containing an Avitag at its N-terminus was co-expressed with BirA biotin ligase and purified using a standard protocol (see Dou et al., Nature Structural and Molecular Biology, 8: 982-987, 2013; Avidity LLC). Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 59). Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 &#956;L reaction volume by pre-incubating 0.5 nM Cbl-b in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for 1 hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional 1 hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the 1 hour incubation, the plates were read for TR-FRET signal at 520/620 nM using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
11021	2	Cbl-b Displacement Assay (Cbl-b Inhibition Assay low)	The ability of candidate compounds to displace a known inhibitor and thereby inhibit Cbl-b activity was measured by monitoring the interaction of Cbl-b with a fluorophore-labeled probe in the presence of the candidate compound. A truncated variant of Cbl-b (UniProt number Q13191; SEQ ID NO:1) containing an Avitag at its N-terminus was co-expressed with BirA biotin ligase and purified using a standard protocol (see Dou et al., Nature Structural and Molecular Biology, 8: 982-987, 2013; Avidity LLC). Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 59). Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 &#956;L reaction volume by pre-incubating 0.125 nM Cbl-b in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for 1 hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional 1 hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the 1 hour incubation, the plates were read for TR-FRET signal at 520/620 nM using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
11022	1	TBD	TBD
11023	1	 Identification of Polypeptides that Bind Specifically to Human PCSK9 and Inhibit Interaction Between Human PCSK9 and Human LDLR	A set of cyclic polypeptides were identified to inhibit the interaction between human PCSK9 and human LDLR. Each polypeptide has an N-terminal amino acid or moiety and a C-terminal amino acid or moiety that is linked by a covalent bond to the other.A time-resolved fluorescence resonance energy (TR-FRET) assay was used to measure inhibition of the PCSK9-LDLR protein-protein interaction. Briefly, 20 nM avitag-biotinylated human PCSK9 was incubated with 20 nM his-tagged human LDLR EGFa domain in the presence of 5 nM LANCE Ulight Streptavidin (Perkin Elmer) and 5 nM europium-Anti-6×His (Perkin Elmer) for 2 hours covered at room temperature in buffer containing 50 mM HEPES, 150 mM NaCl, 5 mM CaCl2), 0.01% BSA and 0.01% Surfactant P20. Compounds were tested in dose-response and concentrations giving half-maximal inhibition calculated using a 4-parameter fit equation.
11023	2	Alexa Fret	The PCSK9 Alexa FRET Standard assay measured the interaction between PCSK9 and an AlexaFluor647 (AF) tagged cyclic peptide, Reagent A (KD=83 nM). A solution containing 1 nM biotinylated PCSK9+2.5 nM Lance Streptavidin Europium (Strep-Eu) was made in 50 mM HEPES pH 7.4, 0.15 M NaCl, 5 mM CaCl2), 0.01% BSA, and 0.01% Surfactant P20. A separate solution containing 40 nM of the AlexaFluor tagged cyclic peptide was made in the same buffer system. An Echo was used to transfer 0.750 ul of compound to an assay plate followed by the addition of 15 ul of PCSK9+Stept-Eu and 15 ul of AF peptide. The final assay volume was 30.750 ul containing 0.5 nM PCSK9, 1.25 nM Strep-Eu, and 20 nM AF cyclic peptide. The reaction was incubated at room temperature for at least two hours prior to fluorescence measurements using an Envision Multilabel Reader. IC50 values were determined by fitting data to a sigmoidal dose-response curve using nonlinear regression. Ki was then calculated from the IC50 and the KD of AF cyclic peptide. Counts (B-counts) of the europium-labeled PCSK9 were followed to observe if compounds were adversely PCSK9.
11023	3	Alexa Plus Fret	The PCSK9 Alexa FRET Plus assay measured the interaction between PCSK9 and an AlexaFluor647 (AF) tagged cyclic peptide, Reagent B (KD=35 nM). A solution containing 1 nM biotinylated PCSK9+2.5 nM Lance Streptavidin Europium (Strep-Eu) was made in 50 mM HEPES pH 7.4, 0.15 M NaCl, 5 mM CaCl2), 0.01% BSA, and 0.01% Surfactant P20. A separate solution containing 1920 nM of the AlexaFluor tagged cyclic peptide was made in the same buffer system. An Echo was used to transfer 0.075 ul of compound plus 0.675 ul of DMSO to each well of an assay plate followed by the addition of 15 ul of PCSK9+Stept-Eu and 15 ul of AF peptide. The final assay volume was 30.750 ul containing 0.5 nM PCSK9, 1.25 nM Strep-Eu, and 960 nM AF cyclic peptide. The reaction was incubated at room temperature for at least two hours prior to fluorescence measurements using an Envision Multilabel Reader. IC50 values were determined by fitting data to a sigmoidal dose-response curve using nonlinear regression. Ki was then calculated from the IC50 and the KD of AF cyclic peptide. Counts (B-counts) of the europium-labeled PCSK9 were followed to observe if compounds were adversely affecting PCSK9. A fall off of the B-counts likely indicated a false positive of inhibition.
11024	1	DAAO Enzymatic Assay	The DAAO enzymatic activity assay was modified according to the report of Oguri et al (Oguri, S., Screening of d-amino acid oxidase inhibitor by a new multi-assay method. Food chemistry 2007, 100 (2), 616). The DAAO activity was measured by using substrate D-alanine reaction produced hydrogen peroxide (H2O2) to further react with 3-(4-hydroxyphenyl) propionic acid (HPPA). The HPPA were oxidized by H2O2 and peroxidase to become the fluorogenic dimer which was measured to represent the activity of DAAO. The substrate of DAAO was prepared in 50 mM D-alanine (dissolved in 0.2 M Tris-HCl buffer, pH 8.3). A 100 ul of D-alanine solution was mixed with 4 ul (in 100%) dimethyl sulfoxide, DMSO) of different concentrations of drugs ranging from 31.36 nM, 94.08 nM, 0.28 uM, 0.85 uM, 2.54 uM, 7.62 uM, 22.86 uM, 68.59 uM, 0.21 mM, 0.62 mM, 1.85 mM, 5.56 mM, 16.67 mM, and 50.00 mM with a final DMSO concentrations of 0.167% in each reaction concentration. A 10 ul of D-alanine and drug mixture was incubated with 220 ul of Reaction Master Mix in black 96 well plate at 37° C. for 5 min. The Reaction Master Mix contained 110 ul of 5 U/mL porcine kidney DAAO (Sigma-Aldrich, USA) solution (dissolved with 0.2 M Tris-HCl buffer, pH 8.3), 1.1 mL of 15 U/mL peroxidase solution (dissolved with 0.2 M Tris-HCl buffer, pH 8.3), 1.1 mL of 20 mM HPPA solution (dissolved with 0.2 M Tris-HCl buffer, pH 8.3), and 2.2 ml of 2 M Tris-HCl buffer (pH 8.3) for 110 reaction assays.Fluorescence intensity (Fs) was measured at 405 nm by irradiation excitation at 320 nm. The higher is the DAAO enzymatic activity, the higher is the fluorescence intensity. The fluorometric inhibition indicator (Fi) was obtained from the following equation: Fi=(Fs&#8722;FDrug)/(FDMSO). Where the fluorescent drug blank (FDrug) were measured in the drug mixture solution (using 0.2 M Tris HCl buffer, pH 8.3, without D-alanine). A DMSO blank (FDMSO) was measured under a 100% DMSO solution. Although, in the assay for D-amino acid oxidase, FAD was generally included in the reaction mixture because this co-factor is easily dissociated from the holoenzyme, the present method was performed without FAD. The inhibitory effect of DAAO inhibitors was compared by using inhibitory concentrations which reduce 50% of DAAO activity (IC50). The IC50 value was calculated by GraphPad Prism, version 5 software (GraphPad Software, Inc., La Jolla, Calif.) (GraphPad Prism 5, GraphPad software Inc: California, USA) through nonlinear regression model.
11025	1	D3R2020	D3R2020
11026	1	D3R2021	D3R2021
11027	1	D3R2022	D3R2022
11028	1	D3R2023	D3R2023
11029	1	D3R2024	D3R2024
11030	1	D3R2025	D3R2025
11031	1	D3R2026	D3R2026
11032	1	D3R2027	D3R2027
11033	1	D3R2028	D3R2028
11034	1	Opioid Receptor Binding Assay	The Ki (binding affinity) for &#956; opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of Med. Chem. 2012, p3878), which is incorporated herein in its entirety. Briefly, membrane protein from CHO (Chinese Hamster Ovarian) cells that stably expressed the cloned human &#956; opioid receptor were incubated with 12 different concentrations of the compound set forth herein in the presence of 0.25 nM [3H]DAMGO (see Tiberi et al., Can. J. Physiol. Pharmacol. 1988, Vol. 66, p1368, which is incorporated by reference herein in its entirety) in a final volume of 1 mL of 50 mM Tris-HCl, pH 7.5 at 25° C. Incubation times of 60 min were used for [3H]DAMGO (see Gulati et al., Life Sci. 1990, Vol. 47, p 159, which is incorporated by reference herein in its entirety). Nonspecific binding was measured by inclusion of 10 &#956;M naloxone. The binding was terminated by filtering the samples through Schleicher & Schuell No. 32 glass fiber filters using a Brandel 48-well cell harvester. The filters were subsequently washed three times with 3 mL of cold 50 mM Tris-HCl, pH 7.5, and were counted in 2 mL Ecoscint A scintillation fluid. IC50 values were calculated by least squares fit to a logarithm-probit analysis. Ki values of unlabelled compounds were calculated from the equation Ki=(IC50)/1+S where S=(concentration of radioligand)/(Kd of radioligand) (Cheng and Prusoff, 1973). 
11035	1	MAP4K1 Biochemical Enzymatic Activity Assay	Inhibitors were dissolved in 100% DMSO at a stock concentration of 10 mM. A 100×, 10-point, 4-fold serial dilution of each inhibitor was created in 100% DMSO either manually or on a Hamilton STAR liquid handler, starting at a relevant concentration, usually 1 mM. A volume of 0.130 &#956;L of each concentration was transferred to the relevant wells of a 384-well plate (Greiner 781 201) in duplicate using a TTPLabtech Mosquito nano-litre dispenser. Using a Multidrop Combi, the remaining constituents of the kinase reaction were added to the 130 nL of dosed compound as follows (see table below for final reaction details):Enzyme activity assays at the APPKM for ATP or 1 mM ATP: In each well of a 384-well plate, 0.1-15 nM of untreated enzyme was incubated in a total of 13 &#956;L of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1 mM DTT) with 1.5 &#956;M fluorescent peptid and 20-1000 &#956;M ATP, at 25° C., for 60-180 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The kinase reactions were stopped by the addition of 70 &#956;l of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)).
11036	1	Kinase Assay 	The Kinase-Glo Kinase Assay Kit was purchased from Promega. All assays were performed at room temperature using white OptiPlate -384 well plate. The PI3K&#945; kinase was purchased from Invitrogen. The substrate was PIP2 from Invitrogen. The kinase buffer contained 50 mM Hepes (pH 7.5), 3 mM MgCl2, 100 mM NaCl, 1 mM EGTA, 0.03% CHAPS and 2 mM DTT. The PI3K&#945; kinase solution was prepared by diluting PI3K&#945; kinase to 6.6 nM in kinase buffer. The substrate solution contained 100 &#956;M PIP2 and 50 &#956;M ATP. The test compound was diluted to 10 mM in 100% DMSO and serially diluted three times into ten different concentrations in 100% DMSO. The compound diluted in 100% DMSO was diluted 25-fold in 1×kinase buffer. 2.5 &#956;L of the diluted compound solution and 2.5 &#956;L PI3K&#945; kinase solution were added to each well of a 384-well plate. The reaction was initiated by addition of 5 &#956;L substrate solution to each well. The final reaction volume was 10 &#956;L, the ATP concentration was 25 &#956;M, the PIP2 concentration was 50 &#956;M, and the PI3K&#945; kinase concentration was 1.65 nM. The plate was then covered and the reaction was allowed to proceed for one hour at room temperature, followed by the addition of 10 &#956;L Kinase-Glo reagent to each well to stop the reaction. The plate was incubated for fifteen minutes and the luminescence was read on an EnVision 2014 multilabel microplate detector plate reader.
11037	1	Receptor Binding Assay	In vitro binding assays for the phencyclidine site of NMDA-type glutamate receptors, and for sigma-1 receptors, both of which are known to be bound by DM, were conducted by Sekisui Medical Co., Ltd. of Ibaraki, Japan. In these assays, DM acts as an antagonist at NMDA receptors, which are excitatory in their effects, thereby allowing DM to reduce, calm, and modulate unwanted neuronal activity in neuronal networks that are activated by glutamate agonist activity at NMDA receptors. DM acts as an agonist at sigma-1 receptors, which are inhibitory receptors, thereby allowing DM to reduce unwanted neuronal activity by a second mechanism. 
11038	1	Enzymatic Assay	The IC50 values for aforementioned compounds against HDACs were determined. HDAC 1 to 11 can be assayed by using acetylated AMC-labeled peptide substrate. The Substrate 1, a fluorogenic peptide from p53 residues 379-382 (RHKKAc) is used for all MAC 1 to 11 but HDAC8, which has a substrate II (RHKAcKAc), a fluorogenic diacyl peptide based on residues 179-382 of p53. Compounds were tested in 10-dose 1050 mode in duplicate with 3-fold serial dilution starting at 10 uM.
11040	3	Electrophoretic Mobility Shift Assay	Activity was measured using electrophoretic mobility shift assays with full length human recombinant HDAC proteins and fluorescently labeled peptide substrates.
11040	2	In Vitro Histone Deacetylase Assay I	The probe binding HDAC11 assay was performed using a time resolved fluorescence (TRF) assay format. Recombinant N-terminal GST tag full-length human HD AC 11 was expressed and purified from baculovirus in Sf9 insect cells (SignalChem, #H93-30G-1000). Each assay was performed in 1536 black well microplates (Corning, #3936) in a final volume of 8 &#956;L in assay buffer containing 50 mM HEPES (pH 7.5), 50 mM KCl, 50 mM NaCl, 0.5 mM GSH (L-Glutathione reduced, Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). 100 nL of 10-point, 3-fold serial dilution in DMSO was pre-dispensed into respective wells of 1536 assay plates for a final test concentration range of 25 &#956;M to 1.3 nM respectively. The final concentration in the assay of HD AC 11 and probe (a fluorescein labeled HD AC 11 inhibitor) was 2.5 nM and 20 nM respectively. 4 &#956;L of 2× probe and 2× anti-GST Terbium (Cisbio, #61GSTXLB) was added to assay plates followed by 4 &#956;L of 2×HDAC11. Plates were incubated for 16 hours at room temperature before time resolved fluorescence was read on the Envision (Excitation at 340 nm, and Emission at 485 nm and 535 nm, Perkin Elmer).Data from HD AC 11 Assays were reported as percent inhibition (inh) compared with control wells based on the following equation: % inh=1&#8722;((FLU&#8722;AveLow)/(AveHigh&#8722;AveLow)) where FLU=measured time resolved fluorescence. AveLow=average time resolved fluorescence of no enzyme control (n=32). AveHigh=average time resolved fluorescence of DMSO control (n=32). IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm included in the Activity Base software package: IDBS XE Designer Model205. Data is fitted using the Levenburg Marquardt algorithm.
11040	1	In Vitro Histone Deacetylase Assay II	The measurement of HD AC 11 deacetylase activity was performed using an electrophoretic mobility shift assay by Nanosyn (Santa Clara, Calif.). Full length human recombinant HD AC 11 protein was expressed in baculoviral system and purified by affinity chromatography. The enzymatic reactions were assembled in 384 well plates in a total volume of 25 &#956;L in a reaction buffer composing: 100 mM HEPES, pH 7.5, 25 mM KCl, 0.1% bovine serum albumin, 0.01% Triton X-100, 1% DMSO (from compounds), 2 &#956;M of the fluorescently labeled peptide substrate and enzyme. The enzyme was added at a final concentration of 10 nM. The peptide substrate FAM-RHKK(tri-fluor-Ac) NH2 was used. The compounds were tested at 12 concentrations spaced by 3× dilution intervals. Negative control samples (0%-inhibition in the absence of inhibitor) and positive control samples (100%-inhibition) were assembled in replicates of four in each assay plate. The reactions were incubated at 25° C. and quenched by the addition of 45 &#956;L of termination buffer (100 mM HEPES, pH 7.5, 0.01% Triton X-100, 0.05% SDS).The terminated assay plates were analyzed on LabChip 3000 microfluidic electrophoresis instrument (Perkin Elmer/Caliper Life Sciences). The fluorescence intensity of the electrophoretically separated de-acetylated product and substrate peptide was measured. Activity in each sample was determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product peptide and S is the peak height of the substrate peptide. Percent inhibition (Pinh) is determined using the following equation:P inh=(PSR0%&#8722;PSRinh)/(PSR0%&#8722;PSR100%)*100,where PSRinh, is the product sum ratio in the presence of inhibitor, PSR0% is the average product sum ration in the absence of inhibitor and PSR100% is the average product sum ratio in 100%-inhibition control samples. The IC50 values of inhibitors were determined by fitting the percent inhibition curves with 4 parameter dose-response model using XLfit 4 software. 
11041	1	Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA (bovine serum albumin), 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hour in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XIFit (model 205, IDBS).
11042	1	Radio-Ligand ROR&#947; Binding Assay	Compounds of the present invention were tested for ability to bind to ROR&#947; in a cell-free competition assay with commercially available radio-ligand (RL), 25-hydroxy [26,27-3H]-cholesterol (PerkinElmer, Cat. #NET674250UC), for a ligand binding site on a recombinant ROR&#947; Ligand Binding Domain (LBD) protein expressed as a 6×His-Glutathione-S-Transferase (GST) fusion. The assay was performed in 96-well SPA plates (PerkinElmer, Cat. #1450-401) in 50 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 5 mM MgCl2, 10% (v/v) glycerol, 2 mM CHAPS, 0.5 mM &#946;-octylglucopyranoside and 5 mM DTT. Tested compounds were dissolved in DMSO, and semi-log (3.162×) serial dilutions of the compounds were prepared in the same solvent. Two &#956;L of the DMSO solutions were mixed with 28 &#956;L of 8.6 nM 25-hydroxy [26,27-3H] cholesterol and 50 &#956;L of 24 nM ROR&#947; LBD. The plate was shaken at 700 rpm for 20 min and incubated for 10 min at rt, after which 40 &#956;L of poly-Lys YSi SPA beads (PerkinElmer, Cat. #RPNQ0010) were added to achieve 50 &#956;g of the beads per well. The plate was incubated on an orbital shaker for 20 min and then for 10 min without agitation at rt. SPA signal for tritium beta radiation was registered on PerkinElmer Microbeta plate reader. Percent inhibition values were calculated based on the high signal obtained with DMSO control and the low signal observed with 10 &#956;M standard ROR&#947; inverse agonist T0901317 (SigmaAldrich, Cat. #T2320). The percent inhibition vs. concentration data were fit into a four-parameter model, and IC50 values were calculated from the fit as the concentrations corresponding to the inflection points on the dose-response curves.
11043	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 250 C in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). 
11045	1	Enzyme Assay	The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose response titration of each test compound dissolved in 100% DMSO was spotted in clear polystyrene 384-well plate (Thermo #264704) using a Mosquito (TTP Labtech). A 10 &#956;L solution of 2 nM CD38 (BPS Biosciences #71227) suspended in 100 mM HEPES ((4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH=7.5), 4 mM EDTA (2,2&#8242;2&#8243;,2&#8242;&#8243;-(ethane-1,2-diyldinitrilo)tetraacetic acid) and 1 mM CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate) was incubated with test compound at 25° C. for 30 min. The enzyme reaction was initiated by adding 10 &#956;L of 400 &#956;M nicotinamide adenine dinucleotide (NAD+), 1000 &#956;M (E)-2-(2-(pyridin-4-ylmethylene)hydrazinyl)pyridine in buffer containing 5 mM sodium acetate (pH=5.2) and 1 mM CHAPS. The reactions were incubated at 25° C. and the absorbance at 405 nm was measured after 15 minutes and 60 min on an Envision plate reader (Perkin Elmer) The absorbance values from the 15 min timepoint were subtracted from the absorbance value from the 60 min timepoint.
11046	1	Biochemical Assay	The enzyme and peptide solution was incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5l reaction mixture contained 500 &#956;M ATP, 2 &#956;M peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 0.025% NP-40, 1 mM DTT). After 120 min of incubation at room temperature, 5 &#956;l of Stop and Detect Solution (1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM Tracer in a 50 mM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm).
11047	1	Inhibitory Activity Assay	The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Reaction Biology, and EZH1 or EZH2 activity was measured using a radiometric scintillation proximity assay. To measure the IC50 of the synthesized compounds for EZH1 or EZH2, 2.3 nmol/L EZH1 or EZH2, 1 &#956;mol/L histone H3 (21-44)-lys(biotin), 1.5 &#956;mol/L S-adenyl methionine (SAM), and 500 nmol/L 3H-SAM were added to the compounds or DMSO with a buffer solution and reacted for 90 minutes at room temperature. The buffer solution was comprised of 50 mmol/L Tris-HCl pH 8.0, 50 mmol/L NaCl, 1 mmol/L EDTA, 1 mmoL/L DTT, 1 mmol/L PMSF and 1% DMSO. Trichloroacetic acid was added to end the reaction, and SPA beads coated with PVT streptavidin were added followed by 1 hour reaction at room temperature. A TopCount NXT plate reader was used to measure the methylation value of the substrate peptide. The measured values were converted to percent activity, setting the mean value for wells treated with DMSO as 100% and the background mean value as 0%. 
11048	1	Activities on KLK6 (Boc-QAR-AMC)	In a typical test, 100 &#956;l of reaction medium contains the buffer, 1 &#956;l of recombinant enzyme, 1 &#956;l of substrate (Boc-QAR-AMC) and 1 &#956;l of the compound tested at 10 &#956;M (in the control, 1 &#956;l of DMSO). In each well, the inhibitor is deposited in the presence of the enzyme-buffer mixture for preincubation for 15 minutes at 37° C. The enzymatic reaction is then triggered by adding the buffer-substrate mixture (100 &#956;M). The release of the 7-amino-4-methylcoumarin fluorescent group (AMC, &#955;ex=360 nm, &#955;em=460 nm) following the hydrolysis of the substrate catalyzed by the enzyme is monitored for 30 minutes at 37° C. using a FLUOstar spectrofluorimeter.
11048	2	Activities on KLK6 (MBP3)	In a typical test, 100 &#956;l of reaction medium contains the buffer, 1 &#956;l of recombinant enzyme, 1 &#956;l of substrate (MBP3) and 1 &#956;l of the compound tested at 10 &#956;M (in the control, 1 &#956;l of DMSO). In each well, the inhibitor is deposited in the presence of the enzyme-buffer mixture for preincubation for 15 minutes at 37° C. The enzymatic reaction is then triggered by adding the buffer-substrate mixture (100 &#956;M). The release of the 7-amino-4-methylcoumarin fluorescent group (AMC, &#955;ex=360 nm, &#955;em=460 nm) following the hydrolysis of the substrate catalyzed by the enzyme is monitored for 30 minutes at 37° C. using a FLUOstar spectrofluorimeter.
11048	3	Activities on KLK6 (PAR2)	In a typical test, 100 &#956;l of reaction medium contains the buffer, 1 &#956;l of recombinant enzyme, 1 &#956;l of substrate (PAR2) and 1 &#956;l of the compound tested at 10 &#956;M (in the control, 1 &#956;l of DMSO). In each well, the inhibitor is deposited in the presence of the enzyme-buffer mixture for preincubation for 15 minutes at 37° C. The enzymatic reaction is then triggered by adding the buffer-substrate mixture (100 &#956;M). The release of the 7-amino-4-methylcoumarin fluorescent group (AMC, &#955;ex=360 nm, &#955;em=460 nm) following the hydrolysis of the substrate catalyzed by the enzyme is monitored for 30 minutes at 37° C. using a FLUOstar spectrofluorimeter.
11048	4	Inhibitory Effect on the Enzymatic Activity of KLK	Table 4: The molecules were tested in order to evaluate their possible inhibitory effect on the enzymatic activity of KLK1. The % inhibitions were determined from the residual activity of the hydrolysis of the Boc-PFR-AMC fluorogenic substrate (100 &#956;M) by KLK1 (1.6 nM) after 15 minutes of incubation at 37° C. with each molecule at 10 &#956;M. 
11048	5	Activities on Plasmin (Boc-QAR-AMC)	In a typical test, 100 &#956;l of reaction medium contains the buffer, 1 &#956;l of recombinant enzyme, 1 &#956;l of substrate (Boc-QAR-AMC) and 1 &#956;l of the compound tested at 10 &#956;M (in the control, 1 &#956;l of DMSO). In each well, the inhibitor is deposited in the presence of the enzyme-buffer mixture for preincubation for 15 minutes at 37° C. The enzymatic reaction is then triggered by adding the buffer-substrate mixture (100 &#956;M). The release of the 7-amino-4-methylcoumarin fluorescent group (AMC, &#955;ex=360 nm, &#955;em=460 nm) following the hydrolysis of the substrate catalyzed by the enzyme is monitored for 30 minutes at 37° C. using a FLUOstar spectrofluorimeter.
11048	6	Activities on Plasmin (PAR4)	In a typical test, 100 &#956;l of reaction medium contains the buffer, 1 &#956;l of recombinant enzyme, 1 &#956;l of substrate (PAR4) and 1 &#956;l of the compound tested at 10 &#956;M (in the control, 1 &#956;l of DMSO). In each well, the inhibitor is deposited in the presence of the enzyme-buffer mixture for preincubation for 15 minutes at 37° C. The enzymatic reaction is then triggered by adding the buffer-substrate mixture (100 &#956;M). The release of the 7-amino-4-methylcoumarin fluorescent group (AMC, &#955;ex=360 nm, &#955;em=460 nm) following the hydrolysis of the substrate catalyzed by the enzyme is monitored for 30 minutes at 37° C. using a FLUOstar spectrofluorimeter.
11049	1	Ras GTP Binding Domain Inhibition Assay	The following method was developed as specific assay for KRas G12D mutant protein.Buffer-I:50 mM Tris, pH 7.5150 mM NaCl (optional)1 mM MgCl21 mM DTT.KRas G12D mutant protein was expressed as a His-tagged protein. Purified His-KRas G12D protein was diluted in buffer-I to a final concentration of 3-10 &#956;g/ml.200 &#956;l of the diluted His-KRas G12D protein was added to a nickel coated 96 well plate and incubated overnight at 4° C.The next day, wells were washed 3× in 200 &#956;l of Buffer-I.Then 200 &#956;l of Buffer-I were added to each well in the presence of 1% DMSO.Tested compounds were added to the protein-coated wells at a concentration of 20 &#956;M, and incubated for 3 hours at room temperature. While performing IC50 measurements a serial dilution of all tested concentrations was prepared.Then 22 &#956;l of Cy3-GTP or Cy5-GTP was added to each well. The labeled GTP was incubated for 45 min. at room temperature.Following GTP incubation, wells were washed 3× in Buffer-I, and 200 &#956;l of Buffer-I were added to each well.Following washes, the amount of bound labeled-GTP was measured with an Eppendorf AF2200 plate reader.
11050	1	Inhibition of Coagulation Factor XIa	Reagents:Enzyme: human coagulation factor XIa; manufacturer: Haemtech;Substrate: Boc-Ile-Glu-Gly-Arg-AMC Acetate salt; manufacturer: Bachem;Reaction buffer: 50 mM HEPES, 145 mM NaCl, 5 mM KCl, 0.1% BSA, pH 7.4;Detection Method:The test compounds were dissolved in reaction buffer at different concentrations. 4 &#956;l of coagulation factor XIa and 4 &#956;l of the test compound were added to a 384 well plate, incubated at room temperature for 10 minutes after mixed thoroughly, and then 4 &#956;l of substrate was added to initiate the reaction. For reading fluorescence signal value, enzyme kinetic mode was used. The wavelength of excitation light was selected to be 380 nm, and the wavelength of emission light was selected to be 460 nm. Read once per 30 seconds, and continuously read 20 cycles. Linear regression analysis of signal value-time was performed during the linear reaction period, and the slope was the reaction rate, and the enzyme activity inhibition rate was calculated according to the following formula. 
11050	2	Inhibition of Factor Xa	The test compounds were dissolved in assay buffer (50 mM Tris, 150 mM NaCl, 10 mM CaCl2, 0.05% Brij35, pH 7.5) at a final concentration of 10 &#956;M and 1 &#956;M. Coagulation factor Xa and test compound were added to the well plate, and incubation was conducted at room temperature for 10 minutes after mixed thoroughly. The substrate (Mca-RPKPVE-Nval-WRK(Dnp)-NH2) was added to initiate the reaction. For reading fluorescence signal value, enzyme kinetic mode was used. The wavelength of excitation light was 320 nm, and the wavelength of emission light was 400 nm. 
11050	3	Inhibition of Factor VIIa	The test compounds were dissolved in assay buffer (50 mM Hepes, 150 mM NaCl, 5 mM CaCl2, pH 7.4) at a final concentration of 10 &#956;M and 1 &#956;M. Coagulation factor VIIa and tissue factor were mixed at an equimolar concentration. After incubation at 37° C. for 15 minutes, the test compound was further added. Incubation was conducted at room temperature for 10 minutes. Then the substrate (Boc-VPR-AMC) was added to initiate the reaction. For reading fluorescence signal value, enzyme kinetic mode was used. The wavelength of excitation light was 380 nm, and the wavelength of emission light was 460 nm.
11051	1	PI3-Kinase HTRF Assay	PI3 Kinase &#945;, &#946;, &#947; or &#948; activity was assayed using the PI3 Kinase HTRF assay kit (catalogue No. 33-016) purchased from Millipore Corporation. Purified recombinant PI3K&#945; (catalogue No. 14-602-K), PI3K&#946; (catalogue No. 14-603-K), PI3K&#947; (catalogue No. 14-558-K), and PI3K&#948; (catalogue No. 14-604-K) were obtained from Millipore Corporation. Purified recombinant PI3K enzyme was used to catalyze the phosphorylation of phosphatidylinositol 4,5-bisphosphate (PIP2 at 10 &#956;M) to phosphatidylinositol 3,4,5-trisphosphate (PIP3) in the presence of 10 &#956;M ATP. The assay was carried out in 384-well format and detected using a Perkin Elmer EnVision Xcite Multilabel Reader. Emission ratios were converted into percent inhibitions and imported into GraphPad Prism software. The concentration necessary to achieve inhibition of enzyme activity by 50% (IC50) was calculated using concentrations ranging from 20 &#956;M to 0.1 nM (12-point curve). 
11052	1	Evaluation of STK19 Kinase Inhibitory Activity	The optimal amount of STK19 is the minimal amount that produces luminescence within the linear portion of the kinase titration curve and generates an adequate signal-to-background ratio. The optimal kinase reaction time was defined as the point at which the EC50 from the enzyme titration no longer changes. The inventors finally chose 12.5 nM STK19 and 15 min as the optimal kinase concentration and reaction time for the kinase assay.The ATP titration was conducted with STK19 kinase using the enzyme concentration previously determined, and the kinase assays were performed at ATP concentrations ranging from 0.5 &#956;M to 200 &#956;M. The apparent ATP Km(app) was calculated by fitting data using the Michaelis-Menten equation. The ATP concentrations of 6.36 &#956;M Km(app) for STK19 was required to show a 50% change between the maximum and minimum phosphorylated NRAS levels.
11053	1	hERG Inhibition Assay	For hERG inhibition assays, the cells used were HEK293 cells stably transfected with hERG (cell line obtained from Cytocentrics Inc. 3463 Magic Drive San Antonio, Tex. 78229). Composition of External Solution: NaCl, 137 mM; KCl, 4 mM; MgCl2, 1.0 mM; CaCl2), 1.8 mM; HEPES 10 mM; Dextrose 11 mM; Adjusted to a pH of 7.4 with NaOH. Composition of Internal Solution: KCl, 130.0 mM; MgCl2, 1.0 mM; HEPES, 5.0 mM; EGTA, 5.0 mM; NaCl 7.0 mM. Adjusted to a pH of 7.2 using KOH. Test Concentrations: 0.1, 1, 10, 100 &#956;M. Vehicle: DMSO. Experiments were performed at 34+/&#8722;1° C. Current was recorded using the whole-cell patch clamp technique on the Cytopatch automated platform. hERG current was elicited with the following voltage protocol: hERG current amplitude was measured as the peak current at &#8722;50 mV (tail current). The percent blockade of hERG was measured as current reduction after a steady-state effect had been reached in the presence of drug relative to current amplitude before drug was introduced (control). Each cell served as its own control. Data are presented as the 1050 calculated by non-linear regression analysis.
11053	3	Cyp Inhibition	For Cyp inhibition, human liver microsomes from BD Gentest were incubated with Compound 028 or Compound 032 (10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01 uM) and substrate (CYP1A2: Phenacetin at 30 uM; CYP2C9: Diclofenac at 10 uM; CYP2C19: S-Mephenytoin at 35 uM; CYP3A4: Midazolam at 5 uM and Testosterone at 80 uM; CYP2D6: Bufuralol at 10 uM) for the following incubation times: CYP1A2, 2C9, 2D6: 10 minutes, 37&deg; C.; CYP2C19: 45 minutes, 37&deg; C.; CYP3A4: 5 minutes, 37&deg; C. Substrate conversion was measured by liquid chromatography/mass spectrometry/mass spectrometry (LC/MS/MS). Inhibition was calculated by curve fitting in Graph Pad Prism.
11053	2	HDAC Enzyme Assay	Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten-point three-fold dilution series was made. The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 &#956;M TCEP) to 6-fold their final concentration. The HDAC enzymes (purchased from BPS Biosciences) were diluted to 1.5-fold their final concentration in assay buffer. The tripeptide substrate and trypsin at 0.05 &#956;M final concentration were diluted in assay buffer at 6-fold their final concentration. The final enzyme concentrations used in these assays were 3.3 ng/ml (HDAC1), 0.2 ng/ml (HDAC2) and 0.08 ng/ml (HDAC3). The final substrate concentrations used were 16 &#956;M (HDAC1), 10 &#956;M (HDAC2) and 17 &#956;M (HDAC3).Five &#956;l of compounds and 20 &#956;l of enzyme were added to wells of a black, opaque 384 well plate in duplicate. Enzyme and compound were incubated together at room temperature for 10 minutes. Five &#956;l of substrate was added to each well, the plate was shaken for 60 seconds and placed into a Victor 2 microtiter plate reader. The development of fluorescence was monitored for 60 min and the linear rate of the reaction was calculated. 
11054	1	IRAK1 Enzymatic Assay	IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of IRAK-1 inhibition was performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A). His-TEV-IRAK-1 (15 ng/well), ATP (1 &#956;M, [33P]ATP 0.25 &#956;Ci/well) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) were incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Triton-X-100 0.01%. Kinase reaction was stopped by addition of EDTA. Supernatant was discarded, plates were washed three times with 150 mM NaCl and radioactivity was then measured in a Microbeta Trilux reader.
11054	2	IRAK4 Enzymatic Assay	IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International based in Bagnols/C ze FR). Measurement of IRAK-4 inhibition was performed in streptavidin coated 384 well FlashPlate (PerkinElmer #SMP410A). His-TEV-IRAK4 (20 ng/well), ATP (2 &#956;M, [33P]ATP 0.25 &#956;Ci/well), STK1-biotin peptide (300 nM) and compounds in DMSO (range of concentrations from 20 &#956;M to 1 nM) or controls (2% DMSO) were incubated for 3 hours at 30° C. in assay buffer: Hepes pH7.0 50 mM, Fatty acid-free BSA 0.1%, Dithiothreitol DTT 2 mM, MgCl2 10 mM, EGTA 0.5 mM, Tween-20 0.01%, MnCl2 5 mM. Kinase reaction was stopped by addition of EDTA. Supernatant was discarded, plates were washed three times with 150 mM NaCl and radioactivity was then measured in a Microbeta Trilux reader.
11055	1	Enzymatic Assay	FGFR1: In a final reaction volume of 30 &#956;L, FGFR1 (h) (25 ng/ml) is incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction is stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which is present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) is measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) is determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
11055	2	Enzymatic Assay	FGFR2: In a final reaction volume of 30 &#956;L, FGFR2 (h) (150 ng/ml) is incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 0.4 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction is stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which is present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) is measured afterwards and results are expressed in (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) is determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
11055	3	Enzymatic Assay	FGFR3: In a final reaction volume of 30 uL, FGFR3 (h) (40 ng/ml) is incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 25 uM ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction is stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which is present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) is measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 uM to 0.1 nM) is determined and used to calculate an IC50 (M) and pIC50 (-log IC50) value.
11055	4	Enzymatic Assay	FGFR4: In a final reaction volume of 30 &#956;L, FGFR4 (h) (60 ng/ml) is incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 5 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 60 minutes at room temperature the reaction is stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which is present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) is measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) is determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
11055	5	Enzymatic Assay	KDR (VEGFR2): In a final reaction volume of 30 &#956;L, KDR (h) (150 ng/ml) is incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Triton-X-100, 500 nM Btn-Flt3 and 3 &#956;M ATP in the presence of compound (1% DMSO final). After incubation for 120 minutes at room temperature the reaction is stopped with 2.27 nM EU-anti P-Tyr, 7 mM EDTA, 31.25 nM SA-XL-665 and 0.02% BSA which is present for 60 minutes at room temperature. Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) signal (ex340 nm. Em 620 nm, em 655 nm) is measured afterwards and results are expressed in RFU (Relative Fluorescence Units). In this assay, the inhibitory effect of different compound concentrations (range 10 &#956;M to 0.1 nM) is determined and used to calculate an IC50 (M) and pIC50 (&#8722;log IC50) value.
11056	1	BTK and EGFR in Vitro Assay	The BTK and EGFR biochemical assays utilize LANTHASCREEN Eu Kinase Binding Assays from Thermo Fisher Scientific, measuring the binding of the kinase with a fluorinated tracer. The assay buffer consists of 50 mM HEPES pH 7.5, 0.01% BRU -35, 10 mM MgCl2, 1 mM EGTA, and 1 mM DTT. The test compounds are diluted and added to the assay plate with a Labcyte ECHO 555 liquid handler. The compounds are tested in 10 point dose response curves (100 &#956;M-0.005 &#956;M) with a maximum DMSO concentration of 1%. The assays are performed in 20 &#956;L in low-volume 384-well white proxiplates. For the BTK assay, the concentration of full-length His-labeled BTK in the assay is 5 nM, the Eu-anti-His antibody is 2 nM, and the kinase tracer 236 is 60 nM. For the EGFR assay, the concentration of truncated (amino acids 668-1210) GST-labeled EGFR is 5 nM, the Eu-anti-GST antibody is 2 nM, and the kinase tracer 199 is 10 nM. The components of the assay (compound, enzyme/antibody, tracer) are assembled and incubated for 30 min prior to being read on a Perkin-Elmer EnVision with excitation at 340 nM, tracer emission at 665 nM, and antibody emission at 615 nM. The signal ratio is converted to percent inhibition using the following equation: % Inhibition=100&#8722;[(Test Compound&#8722;Median Minimum)/(Median Maximum&#8722;Median Minimum)×100].
11057	1	Z&#8242;-LYTE Kinase Assay	The IRAK1 and IRAK 4 IC50 values for various compounds disclosed herein generated from an Adapta kinase assay format, and a Z&#8242;-LYTE kinases assay format.
11058	1	Alphascreen Assay	Alphascreen Assays to Determine the Apparent Kd Values for Wild-Type and Mutant &#946;-Catenin/BCL9 InteractionsThe experimental detail using AlphaScreen to determine the apparent Kd values for &#946;-catenin/BCL9 and &#946;-catenine/E-cadherin PPIs has been described previously (Zhang et al. (2015) Anal. Biochem. 469: 43-53). The concentrations of mutant &#946;-catenin proteins used in the assays were the same as that of wild-type &#946;-catenin.
11059	1	AXL Kinase Assay	Human Axl (residues H473-A894 with Q764R, 161 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKSRGDYMTMQIG (SEO ID NO. 43) 10 mM magnesium acetate and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11059	2	Mer Kinase Assay	Human Mer (residues R557-E882 with H628Q and R794A, 0.7 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 mM NaCl, 250 &#956;M GGMEDIYFEFMGGKKK (SEO ID NO. 44). 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11059	3	Met Kinase Assay	Human Met (residues R974-S1390 with A1209G and V1290L, 3.4 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKGQEEEYVFIE (SEO ID NO. 45), 1 mM sodium orthovanadate, 5 mM sodium-6-glycerophosphate, 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 sL was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11060	1	HotSpot Assay	Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) Vol. 29, No. 11, pp. 1039-1045 (which is herein incorporated by reference in its entirety); 10 uM was the starting concentration with a 3-fold series dilution (10 doses) and the final ATP concentration was 10 uM.
11060	3	IC50 Kinase Assays	Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control. The positive control, Staurosporine, was tested in a 10-dose IC50 mode with 4-fold serial dilution starting at 20 uM. Reactions were carried out at 10 uM ATP. Curve fits were performed to determine IC50 where the enzyme activities at the highest concentration of compounds were less than 65%.
11060	2	Kinase Assay	Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32&deg; C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17xPBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1xPBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1xPBS, 0.05% Tween 20, 0.5 uM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
11061	1	Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
11062	1	In Vitro Kinase Detection	Kinases BTK wt (Carna, Cat. No 08-180) and BTK C481S (Carna, Cat. No 08-547) were prepared into a 2.5× kinase solution, and the substrates FAM-P2 (GL Biochem, Cat. No. 112394) and ATP ((Sigma, Cat. No. A7699-4G) were prepared into a 2.5× substrate solution, respectively. 5 &#956;L of the compounds at different concentrations were added to a 384-well plate, and 10 &#956;L of 2.5× kinase solution was added, the cultures were incubated at room temperature for 10 minutes. 10 &#956;L of 2.5× substrate solution was added, and the mixture was incubated at 28° C. for an appropriate period of time. The reaction was stopped by adding 30 &#956;L of stop solution, and the detection was carried out using Caliper EZ reader2 instrument. The IC50 value was calculated using XLFit excel add-in version 5.4.0.8 software. 
11063	1	Inhibitory Action on Binding of BRD4 Protein and Ligand Test Method 1	Table 4-1: The inhibitory action of the compound of the present invention on the binding of BRD4 protein and a ligand thereof was evaluated by the time-resolved fluorescence resonance energy transfer (TR-FRET) method using BRD4 bromodomain 1 TR-FRET Assay Kit (Cayman). In this experiment, (+)-JQ1 known to have an inhibitory activity on the binding of BRD4 protein and a ligand therefor was used as a positive control drug. A test compound dissolved in DMSO was diluted with TR-FRET Assay Buffer, added to a 384 well black plate, BRD4 bromodomain 1 Europium Chelete was further added and the cells were incubated at room temperature for 15 min. Thereafter, BRD4 bromodomain 1 Ligand/APC Acceptor Mixture was added and the cells were incubated at room temperature for 1 hr. The binding amount of the BRD4 protein and ligand was measured as fluorescence intensity (excitation: 340 nm/emission: 620 nm and excitation: 340 nm/emission: 670 nm).
11063	2	Inhibitory Action on Binding of BRD4 Protein and Ligand Test Method 2	Table 4-2: The inhibitory action of the compound of the present invention on the binding of BRD4 protein and a ligand thereof (acetylated histone H4) was evaluated by the time-resolved fluorescence resonance energy transfer (TR-FRET) method using EPIgeneous Binding Domain Kit A (Cisbio), BRD4-1 (GST) (Reaction Biology Corp) and [Lys(Ac)5/8/12/16]-Histone H4(1-21)-GGK (Biotin) (Eurogentec). In this experiment, (+)-JQ1 known to have an inhibitory activity on the binding of BRD4 protein and acetylated histone H4 therefor was used as a positive control drug. A test compound dissolved DMSO was diluted with attached Diluent Buffer, added to a 384 well white plate, and BRD4-1 (GST) and [Lys(Ac)5/8/12/16]-Histone H4(1-21)-GGK (Biotin) were further added. Thereafter, Streptavidin-d2 conjugate and Anti-GST-Eu3+ Cryptate Conjugate were added and the cells were incubated at room temperature for 3 hr. The binding amount of the BRD4 protein and acetylated histone H4 was measured as the fluorescence intensity (excitation: 314 nm/emission: 620 nm and excitation: 314 nm/emission: 665 nm). The BRD4 protein inhibitory activity of the compound of the present invention is shown in IC50 value (concentration of compound that inhibits 50% of the binding of BRD4 protein and acetylated histone H4) in Table 4-2.
11064	1	Fluorescence Binding Assay	Fluorescence quenching end point measurements were performed in black polystyrene 384-plates on Tecan Safire monochromator reader with the following settings: excitation 280 nm; excitation bandwidth 10.0 nm; emission collection 340 nm; emission bandwidth 20.0 nm; high sensitivity flash mode; integration time 40 &#956;S; delay 0 &#956;m. All measurements were done in duplicates; GraphPad Prism 5.03 was used for data evaluation, curve fitting, plotting and determination of IC50 values.Serial dilutions of each tested ligands were mixed with truncated CRBN (319-427) to a final volume of 25 &#956;L in the assay buffer (20 mM sodium phosphate buffer, pH 6.5, with 150 mM sodium chloride). The final concentration of CRBN in all assay will be 5-10 &#956;M with DMSO level at 4%. A control lanes were prepared with only tested ligands without the addition of CRBN, top up with assay buffer to 25 &#956;L. Plates were incubated for 5 minutes and analyzed using the monochromator plate reader.
11065	1	TR-FRET Assay	Protein arginine methyltransferase 5 (PRMT5) is a type II arginine methyltransferase that catalyze mono- and symmetric demethylation on arginine residues of histone or non-histone proteins in presence of S-adenosylmethionine (AdoMet or SAM) a cofactor responsible for donating the methyl group. PRMT5 is reported to be overexpressed in several human cancers. To identify compounds that inhibit the PRMT5 and decrease its activity, a TR-FRET based assay has been established. Time-resolved fluorescence resonance energy transfer (TR-FRET) HTS assays are homogeneous proximity assays where the interaction of two dye-labeled binding partners is detected by the energy transfer between a donor and an acceptor dye, and the subsequent light emission by the acceptor dye. PRMT5 catalyzes Histone H4 peptide [1-16] which is biotin tagged to the Lysine amino acid at carboxyl end, in presence of S-adenosyl-1-methionine (SAM) to methylate the peptide. The antibody specific to mono methylated H4 peptide (H4R3) with Ig conjugate binds to the methylated peptide, indirectly binding to the Europium lanthanide. SureLight Allophycocyanin-Streptavidin binds to the biotin tag of the peptide, therefore accepting the energy transferred from the Europium lanthanide. This energy transfer between Europium to SureLight Allophycocyanin is a direct measure of the activity/inhibition of the PRMT5 enzyme.
11066	1	Proteasome Inhibitory Activity	The proteasome used in the present invention is human erythrocyte 20S proteasome, and the enzyme, fluorescent substrate and test buffer are all purchased from Enzo. The experimental system is 16 &#956;L, of which the substrate is 8 &#956;L; the proteasome is 4 &#956;L (0.8 ng) and has a final concentration of 50 &#956;M; the test agent (inhibitor) is 4 &#956;L, and has a final concentration of 2×10&#8722;6 M-4.88×10&#8722;10 M, and the last concentration is 0 M, where the actually formulated concentration is 8×10&#8722;6M-1.95×10&#8722;9M, and the last concentration is 0 M. 
11067	1	Fluorescence Polarization Assay	The competition binding assay was performed in a 384-well plate format and in 20 &#956;l reactions. Serial dilutions (0.001-100 &#956;M) of a test compound were incubated with CaM in the presence of 16B05 at room temperature for 30 min. The final binding reagent contained 50 nM of CaM and 5 nM of 16B05 in the assay buffer (50 mM HEPES pH 7.5, 0.01% (w/v) Triton X-100 and 100 &#956;M CaCl2). Each plate contained two types of control wells, containing either 5 nM fluorescent probe bound to 50 nM CaM (bound state, maximum read) or 5 nM unbound probe alone (free state, minimum read) in the assay buffer. Reference compounds Trifluoperazine (CP-Chengdu, Barcode 20008599), A-3 hydrochloride (Sigma, Cat. No. A1980), and A-7 (Tocris Bioscience, Cat. No. 0378) were also included. Upon completion of the incubation, fluorescence polarization degrees (excitation at 531 nm, emission at 595 nm) were measured on the EnVision Microplate Reader (PerkinElmer). Data analysis was performed according to Audran et al., Biochim Biophys Acta. 1833 (2013) 1720-1731. Fluorescence decay was plotted against log concentration of the compound and half maximal inhibitory concentration (IC50) was calculated by XLfit version 4.3.1 (ID Business Solutions) with a 4-parameter logistic model or sigmoidal dose-response model.
11068	1	TR-FRET Assay	40 nL of test compounds in DMSO were added to wells in a white, 384 well microtitre plate (Greiner 784075). 2 uL STING assay buffer (PBS and 0.01% BSA) containing fluorescein labeled ligand (c[G(2&#8242;,5&#8242;)p-2&#8242;-Fluo-AHC-A(3&#8242;,5&#8242;)p] Biolog C 195, 100 nM final) and Tb labeled Streptavidin (Streptavidin-Tb cryptate CisBio 610SATLB) were added. Then 2 uL STING assay buffer containing STING protein (100 nM final) was added and the mixture was incubated at rt for 60 minutes. The plates were then read on a BMG PheraStar Plus reader (LanthaScreen module).For the assay method described above, test compound percent inhibition, at various concentrations, was calculated relative to untreated and DMSO only treated samples. Compound concentration versus percent inhibition curves were fitted to generate IC50 values. One skilled in the art will appreciate that the values generated either as percentage inhibition at a single concentration or IC50 values are subject to experimental variation.
11069	1	Steroid Inhibition of TBPS Binding	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-c eflon32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
11070	1	FLIPR Calcium 6 Assay	The dye is diluted with assay buffer (20mM HEPES in 1x HBSS, PH7.4); Probenecid was added to the final concentration of 5 mM; Hi. Vortexed vigorously for 1-2 minutes. Medium is removed from cell plate by flicking the cell plate on towel papers. 10 pl of assay buffer and 10 pl of 2*dye solution is added to each well of the cell plate. The cell plate is placed on plate shaker, the plate was agitated at 600rpm for 2 minutes. The plate is incubated at 37°C for 2 hours followed by additional 15-minute incubation at 25°C. 3*compound in assay buffer is prepared: a. Reference compounds are diluted to required concentration with DMSO. The compounds were added to a 384-well compound plate; b. Serial dilutions are performed; c. 10mM test compounds are added to the compound plate, and 3-fold serial dilutions were performed, d. Transferee 60 nl/well of compounds from source plate to a 384-well compound plate (Coming, 3657) by using an Echo; e. Add 20pl/well assay buffer to the compound plate; f. Mix the plate on plate shaker for 2 mins; The cell plate, compound plate and tips are put into FLIPR, 10pl of 3x compound is transferred to the cell plate per well with FLIPR.
11071	1	competitive radioligand displacement and functional assays	The affinity of ligands was determined via radioligand binding techniques using human recombinant receptors expressed in mammalian clonal cells. Details on assay conditions, radioligand, nonspecific binding and receptor expression are shown in Table 5. Number of independent radioligand binding experiments is shown in Table 6. In Table 6, all independent experiments listed were performed using 3 technical replicates.Ligand affinity was assessed using established methodology and 2-5 pg of protein per well, determined by the Pierce bicinchoninic acid protein assay according to the manufacturers protocol (Thermo Scientific), (Perry, et al., 2020; Roth, 2013). Saturation binding experiments were performed on membranes expressing 5-HT2A, 5-HT2B, 5-HT2C, or H1Rs in triplicate across 8 concentrations. Competition binding assays were performed in at least triplicate with approximate Kd concentrations of radioligand. Total and nonspecific binding were determined in octet. Each compound was assessed in at least two independent experiments across I Q-14 concentrations in half-log units (1 &#956;M-100 &#956;M) where the center of the concentration range was the approximate pKi. Serial dilutions of unlabeled compound were made in assay buffer at 2.5x the final concentration using 10 mM DMSO stocks (final [DMSO] < 1%). Assays were terminated using rapid filtration via Whatman GF/B Fired Filters (Brandel Inc., Gaithersburg,MD) soaked in 0.3% (w/v) PEI, using an automated Tomtec Harvester 96 (Hamden, CT). Filters were washed with 50 mM Tri-HCI (pH=7.4, 4 °C) before being oven dried and placed into scintillation vials containing 1 ml SX18-4 ScintiVerse BD Cocktail (Fisher Chemical, Fair Lawn, NJ). Scintillation was detected using a Tri-Carb 2910 TR Liquid Scintillation Analyzer (Perkin Elmer, Boston, MA).Table 5. Radioligand binding assay conditions for membranes used in this study, including the binding parameters used to derive K, values and the results of saturation binding assays.
11072	1	MAP4K1 Biochemical Enzymatic Activity	Inhibitors were dissolved in 100% DMSO at a stock concentration of 10 mM. A 100X, 10-point, 4-fold serial dilution of each inhibitor was created in 100% DMSO either manually or on a Hamilton STAR liquid handler, starting at a relevant concentration, usually 1 mM. A volume of 0.130 µL of each concentration was transferred to the relevant wells of a 384-well plate (Greiner 781 201) in duplicate using a TTPLabtech Mosquito nano-litre dispenser. Using a Multidrop Combi, the remaining constituents of the kinase reaction were added to the 130 nL of dosed compound as follows (see table below for final reaction details):Enzyme activity assays at the APPKM for ATP or 1 mM ATP: In each well of a 384-well plate, 0.1 - 15 nM of untreated enzyme was incubated in a total of 13 µL of buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 10 mM MgCl2, 1mM DTT) with 1.5 µM fluorescent peptide and 20 - 1000 µM ATP, at 25oC, for 60 - 180 minutes in the presence or absence of a dosed concentration series of compound (1% DMSO final concentration). The kinase reactions were stopped by the addition of 70 µl of Stop buffer (100 mM HEPES pH 7.5, 0.015% Brij 35, 35 mM EDTA and 0.2% of Coating Reagent 3 (Caliper Lifesciences)). The plates were read on a Caliper EZReader 2 as described above.
11073	1	Enzyme Inhibition Assay	The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 pM. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v).
11074	1	LSD1 TRI-FRET Assay	LSD1 demethylase reactions were carried out in 50 mM HEPES pH 7.4, 100 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. All enzymatic reactions were performed for 50 minutes at room temperature in a 10-&#956;L volume. Five microliters of 8 &#956;M biotinylated H3K4me1 peptide solution was added to each well of a black 384 well, clear-bottom assay plate containing 80 nL compound (final concentration of 0.8% DMSO and 4 &#956;M substrate). Reactions were initiated by the addition of a mixture containing 20 nM LSD1 and 80 nM FAD (5 &#956;L). LSD1 and FAD final concentrations were 10 and 40 nM, respectively. Enzyme activity was stopped by the addition of 90 &#956;L of high salt buffer consisting of 50 mM HEPES pH 7.4, 500 mM NaCl, 1 mM DTT, 0.01% Tween-20, and 0.1 mg/mL BSA. Ten microliters of the quenched reaction mixtures were transferred to a black 384 well ProxiPlate. Ten microliters of detection mixture was added to the ProxiPlate, Europium-labeled antibody and Streptavidin APC were used at final concentrations of 0.3 nM and 200 nM, respectively (total assay volume of 20 &#956;L). Capture of the product peptide by the anti-H3K4me0 antibody and Streptavidin APC was allowed to proceed for 60 min at room temperature before measuring the TR-FRET signal. Plates were read on a Perkin Elmer EnVision. Percent inhibition was calculated using Max (no inhibitor) and Min (quenched with stop buffer) controls and inhibition curves plotted to determine IC50 values.
11075	1	Inhibition Assays of mTOR	The compounds described herein can be tested against recombinant mTOR (Invitrogen) in an assay containing 50 mM HEPES, pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2.5 mM, 0.01% Tween, 10 pM ATP (2.5 &#956;Ci of &#956;-32P-ATP), and 3 &#956;g/mL BSA. Rat recombinant PHAS-1/4EBP1 (Calbiochem; 2 mg/mL) is used as a substrate. Reactions are terminated by spotting onto nitrocellulose, which is washed with 1M NaCl/1% phosphoric acid (approximately 6 times, 5-10 minutes each). Sheets are dried and the transferred radioactivity quantitated by phosphorimaging.
11075	2	Inhibition Assay of PI3K	An exemplary system is PI 3-Kinase (human) HTRF Assay from Upstate. The assay can be carried out according to the procedures suggested by the manufacturer. Briefly, the assay is a time resolved FRET assay that indirectly measures PIP3 product formed by the activity of a PI3-K. The kinase reaction is performed in a microtitre plate (e.g., a 384 well microtitre plate). The total reaction volume is approximately 20 ul per well. In the first step, each well receives 2 ul of test compound in 20% dimethylsulphoxide resulting in a 2% DMSO final concentration. Next, approximately 14.5 ul of a kinase/PIP2 mixture (diluted in 1× reaction buffer) is added per well for a final concentration of 0.25-0.3 ug/ml kinase and 10 &#956;M PIP2. The plate is sealed and incubated for 15 minutes at room temperature. To start the reaction, 3.5 ul of ATP (diluted in 1× reaction buffer) is added per well for a final concentration of 10 &#956;M ATP. The plate is sealed and incubated for 1 hour at room temperature. The reaction is stopped by adding 5 ul of Stop Solution per well and then 5 ul of Detection Mix is added per well. The plate is sealed, incubated for 1 hour at room temperature, and then read on an appropriate plate reader. 
11076	1	Evaluation of In Vitro DYRK1A Activity	Compound 1, a 1,3,4-thiadiazine compound identified in a screening assay, was evaluated for testing of in vitro DYRK1A activity at 30 &#956;M concentration at Life Technologies using a FRET-based LanthaScreen Eu Kinase Binding Assay. Compound 1 had an IC50 of 9.41 &#956;M against DYRK1A (Kd of 7.5 &#956;M against DYRK1A). This data was confirmed by a second assay, KINOMEscan (Fabian et al., A Small Molecule-kinase Interaction Map for Clinical Kinase Inhibitors, Nat. Biotechnol. 23(3):329-336 (2005), which is incorporated by reference in its entirety), which measures DYRK1A binding. The results obtained were consistent with those of the Life Technologies inhibition assay with the Kd of 7.3 &#956;M for Compound 1 in the DiscoverX assay.
11077	1	Inhibition Assay	The compounds were tested for inhibition of metabolic enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4. 
11078	1	Fluorescence Polarization (FP) Binding Assay	The compounds binding to MDM2 were determined by a quantitative fluorescence polarization binding assay using a recombinant MDM2 protein and fluorescently labeled peptide probes using a BioTek Cytation 5 machine. Compounds were tested in 10% DMSO, 100 mM potassium phosohate pH 7.2, 100 ug/ml bovine &#947;-globulin, 0.02% (w/v) sodium azideand 0.01% (v/v) triton X-100. KI values of tested compounds were determined in a dose-dependent competitive binding experiment by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism software.
11078	2	Isothermal Titration Calorimetry (ITC) Experimental Procedure	ITC experiments were run on a Malvern MicroCal Auto-ITC200 or ITC200 machine. Titration experiments were run in 20 mM Phosphate, 150 mM NaCl and 1 mM DTT at pH 7.3. Compounds were loaded in the syringe and tested at mM concentrations with DMSO up to 6.5%. MDM2 protein concentrations in the cell ranged from 20-100 &#956;M.
11079	1	DYRKIA Kinase Activity Assay	The DYRKIA kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRKIA kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.
11080	1	Inhibitory Activity on Human ENPP2	Two-fold dilution of each test compound solution (10 &#956;M, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ten-fold dilution of each the test compound solution (100% dimethyl sulfoxide) with deionized distilled water, 10 &#956;L of the diluted each compound solution (10% dimethyl sulfoxide) was aliquoted to a black flat bottom 96-well plate (Costar 3915). 50 &#956;L of 1.6× Assay solution (224 mM NaCl, 80 mM Tris-HCl (pH 8.0), 8 mM KCl, 1.6 mM CaCl2, 1.6 mM MgCl2, and 1.6 mg/mL fatty acid free BSA) was added thereto, and subsequently 20 &#956;L of 20 nM human ENPP2 solution (buffer solution: 140 mM NaCl, 50 mM Tris-HCl (pH 8.0), 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, and 1 mg/mL fatty acid free BSA) and 20 &#956;L of 5 &#956;M FS-3 solution (buffer solution: deionized distilled water) were added thereto, respectively, followed by mixing. Under reaction for 30 minutes at 37° C., fluorescence intensity measurement (Ex: 485 mm, Em: 528 mm) was carried out at every 5 minutes by Envision Xcite Multilabel Reader. &#916;CFU30 min value (CFU value measured at 30 minutes&#8722;CFU value measured at 0 minute) is obtained for each test solution and based on the equation of 100&#8722;(&#916;CFU30 min of test solution/Mean value of &#916;CFU30 min of control group)×100, the inhibitory activity percentage ratio (i.e., % inhibition) is obtained. 
11081	1	HPK1 Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 &#956;M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 &#956;M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 &#956;l/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
11082	1	HPK1 Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Carna Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 &#956;M), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 &#956;M final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 &#956;l/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
11083	1	Enzyme Assay	RET, RETV804M and KDR: Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1× CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer conditions were used for KDR with the addition of 2 mM MnCl2. RETV804M buffer used 1× CisBio enzymatic buffer supplemented with a final concentration of 2 mM MgCl2, 1 mM DTT, 20 nM SEB and 0.01% Triton X100.Inhibitors were pre-incubated in the plate for 15 mins with 5 &#956;L kinase and assay buffer at the following concentrations; 13 pM RET (Carna Biosciences; 08-159), 30 pM RETV804M (Millipore; 14-760) and 150 pM KDR (Millipore; 14-630). The reaction was initiated by the addition of 5 &#956;L ATP and substrate at 2× final reaction concentrations. For RET, this was 18 &#956;M and 2 &#956;M; for RETV804M, this was 4 &#956;M and 1.5 &#956;M and for KDR, this was 16 &#956;M and 1 &#956;M respectively. Reactions were performed at ATP Km for each target. The assay was allowed to proceed at room temperature for 30 mins before terminating with the addition of 10 &#956;L HTRF detection buffer containing EDTA supplemented with TK-antibody labelled with Eu3+-Cryptate (1:100 dilution) and streptavidin-XL665 (128 nM). Following incubation at room temperature for 1 hour, FRET signal was measured using the Pherastar FS Microplate Reader.
11084	1	Inhibition of EGFR and HER2 Kinase Activity Assay	The assay for the inhibition of EGFR and HER2 kinase activity by small molecular compounds was carried out using the method as follows:1) Dilution of the compoundsIn a 96-well plate a, the compounds were diluted with DMSO using a 3-fold gradient dilution to form 11 concentrations, the 12th concentration is pure DMSO (as a positive control); and in a new 96-well plate b the above solutions were diluted 25 times with ultrapure water (DMSO concentration is 4%).2) Transferring the compounds to 384-well plateThe compound solutions diluted with ultrapure water in the 96-well plate b above was transferred to the corresponding wells of a 384-well plate in duplicate.3) Addition of 4×kinase solution: 2.5 &#956;l of the above 4× kinase solution was taken using multichannel pipette and added to the corresponding reaction wells of the 384-well plate, mixed well and pre-reacted at room temperature for 5 minutes.4) Addition of 2×substrate/ATP mixed solution: 5 &#956;l of the above 2×substrate/ATP mixed solution was taken using multichannel pipette and added to the corresponding reaction wells of the 384-well plate.5) Negative control: negative control wells were set in the 384-well plate, and 2.5 &#956;l 4×substrate, 2.5 &#956;l 4×enzyme solution, 2.5 &#956;l 1×Kinase Assay Buffer and 2.5 &#956;l ultrapure water containing 4% DMSO were added to each well.6) Mixed by centrifugation and kept at room temperature for 2 hours in the dark.7) Termination of the enzymatic reaction:5 &#956;l of the above 4× stop solution was pipetted to the corresponding wells of the 384-well plate, centrifuged and mixed, and reacted at room temperature for 5 minutes.8) Development reaction:5 &#956;l of the above 4× detection solution was pipetted into the corresponding wells of the 384-well plate, centrifuged and mixed, and reacted at room temperature for 1 hour.9) The 384-well plate was placed into a microplate reader and the signal was detected using the corresponding program.10) IC50 analysis:Well reading value=10000*EU665 value/EU615 valueInhibition rate=(reading value of positive control well&#8722;reading value of experimental well)/(reading value of positive control well&#8722;reading value of negative control well)*100%Corresponding IC50s can be calculated by entering the drug concentrations and the corresponding inhibition rates into GraphPad Prism 5.
11085	1	OCT2 Inhibition Assay	The dose dependent inhibition of OCT2 mediated uptake of a model substrate 14C-Tetraethylammonium (TEA) by test compounds was studied in wild-type and OCT2-transfected MDCKII cells at 7 concentrations from 0.014 &#956;M to 10 &#956;M.MDCKII cells were maintained in minimal essential medium (MEM) with 1% Pen/Strep, 10% fetal bovine serum, and 0.25 mg/mL hygromycin B in an incubator set at 37° C., 90% humidity and 5% CO2. 24 hours prior to assay, media containing 5 mM sodium butyrate were added to MDCKII cells in flasks, and cells were grown to 80-90% confluence. On assay day, cells were trypsinized and resuspended in Krebs-Henseleit Buffer (KHB), pH 7.4 at 5×10 million cells/mL. Cells were preincubated for 15 min in assay plate before addition of test compound or substrate.
11086	1	n Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assay	The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens was 0.05 M acetate, pH 4.5, 8% DMSO final, 100 &#956;M genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The &#946;-secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2), which was pre-incubated for one hour with the test compound, typically in about luL of DMSO according to a serial dilution, was added thereto. The assay was effectively started by the addition of FRET substrate (50 nM) and the combination was incubated for one hour. The FRET assay was terminated by the addition of tris buffer, which raised the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The specific FRET substrate used in this assay was made by Amgen in-house. Commercially available FRET substrates, for example, the FRET substrate offered with the BACE1 FRET Assay Kit sold by ThermoFisher Scientific (Catalog Number P2985), may be used in this assay with the appropriate modifications, which are within the purview of the ability of a person with ordinary skill in the art. Proteolytic cleavage of the FRET substrate released quenching of fluorescence (excitation 488 nm and emission 590 nm).
11086	2	In Vitro Enzymatic Cathepsin D (CatD) FRET Assay	Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) was pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays was effectively started by the addition of different FRET substrates (20 nM for CatD) and the combination was incubated for one hour. The FRET assay was terminated with by addition of tris buffer, which raises the pH to neutrality, and the fluorescence was determined. The FRET substrate was a peptide with commercially available fluorophore and quencher, on opposite sides of the CatD cleavage site. The CatD substrate peptide sequence was based on sequence #1 of Table 1 from Gulnik et al., FEBS Lett. 413(2):379-384 (1997). Proteolytic cleavage of the FRET substrate released quenching of fluorescence (CatD excitation 500 nm and emission 580 nm).
11087	1	LanthaScreen Eu kinase binding assay	B-RAF, RAFV600E, and C-RAF: Compounds at a concentration of 3 mM are serially diluted (e.g. 10 &#956;l, 90 &#956;l of 100% dimethyl sulfoxide (DMSO)) seven times in 96-well plates for a total of 8 dilution points. Each DMSO dilution is further diluted 1:100 in kinase buffer (e.g. 5 &#956;l into 495 &#956;l kinase buffer) containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35.Each well in a 96-well Optiplate (Perkin Elmer 6005569) contains 30 &#956;l of final volume per sample, including 10 &#956;l compound at 3× the desired concentration, providing 10 &#956;M at the final maximum concentration, 10 &#956;l of kinase/antibody mixture at 3× the desired concentration of RAF recombinant kinases and antibody providing 5 nM final concentration of B-RAFV600E kinase (Invitrogen PV3849) and 3 nM final concentration of C-RAF Y340D/Y341D kinase (Invitrogen PV3805) and 2 nM final concentration of Eu-anti-GST antibody (PV5594), and 10 &#956;l of 3× the desired concentration of kinase tracer 178 (Invitrogen PV5593) providing final concentrations of 20 nM tracer for B-RAFV600E kinase and 6 nM tracer for C-RAF kinase. The plates are incubated for 5 hours at room temperature and read on an EnVision plate reader (Perkin Elmer).
9618	1	Btk Kinase Assay	Btk kinase activity was determined using a homogenous time resolved fluorescence (HTRF) methodology. Measurements were performed in a reaction volume of 15 &#956;L using 384-well assay plates. Kinase enzyme, inhibitor, ATP and 1 M peptide substrate were incubated in a reaction buffer compose of Hepes 50 mM (pH7.0), NaN3 0.02%, BSA 0.01%, Orthocanadate 0.1 mM. After one hour, the kinase reaction was quenched by the addition of Ep-labeled antibody and XL-665 in 1× Detection buffer containing 60 mM EDTA (Cisbio), and the mixture was allowed to incubate for one hour. The HTRF signal was measured on a multimode plate reader (EnVision Multilabel Reader, Perkin Elmer) with an excitation wavelength (&#955;Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity as measured at various concentrations of compound, Negative control reactions were performed in the absence of inhibitor in two replicates and eight no enzyme controls were used to determine baseline fluorescence levels
9618	2	Inhibition Assay	The following Table shows the activity of selected compounds of this invention in the BTK, TEC, BLK, LYN, LCK inhibition assay. 
11088	1	Glucocorticoid Receptor Competitor Assay	The potency of binding to gucocorticoid receptor by small molecule compounds was measured with the PolarScreen Glucocorticoid Receptor Competitor Assay Kit, Red (Life Technology, Catalog #A15898) according to the procedure in the kit. In brief, after compounds were diluted and transferred into assay plates, the fluormone GS red and GR full length protein were subsequently added into the assay plates, along with the positive and negative controls. The samples were mixed on a shaker for 1 minute and then the plates were incubated at room temperature for 2-4 hours with minimal light exposure. The plates were read with an Envision and the relative fluorescent signals were calculated. The data were plotted in GraphPad Prism and the EC50 values were calculated with non-linear regression curve fit of the data in GraphPad Prism.
11089	1	Inhibition Assay	The present invention provides a novel class of demethylase FTO inhibitors which inhibit FTO protein activity at very low concentration (typically IC50 values is below 30 &#956;M).
11090	1	ADP-Glo Assay	Materials and Instruments Used in the ADP-Glo AssayVendor Cat No.Materials ACL Sino Biological 11769-H07BCoANa2 Sigma C3144Potassium Citrate Sigma 89306ATP Promega V915BADP-GloTM Kinase Assay Promega V9102kitHEPES Life Technologies 15630080MgCl2 Sigma M1028Brij 35 detergent Merck 203728DTT Sigma 646563DMSO MP 196055Optiplate-384, White 384- Perkin Elmer 6007290well384 dilution plate Corning 3657Topseal A Perkin Elmer E534196-well plate Nunc 249944InstrumentPlate reader Perkin Elmer Envision 2104Centrifuge Eppendorf 5810RCompounds of the present invention were evaluated in an ADP-GLO assay as follows:a) Dilute cpd 1:3 in succession in DMSO by hand for each cpds for 12 ptsb) Add 0.1 &#956;L diluted cpd solution to assay plate, each dose with 2 replicatesc) Centrifuge 1000 RPM for 1 mind) Add 5 &#956;L ACL working solution to 384-well assay plate, centrifuge 1000 RPM for 1 mine) Incubate at 25° C. for 15 minf) Add 5 &#956;L substrate working solution to initiate reactiong) Final ACL reaction concentrations: 3 nM ACL, 15 &#956;M ATP, 3 &#956;M CoA, 300 &#956;M Citrate, 0.01% Brij35, 4 mM DTT, 1% DMSO;h) Reference final conc: 30 uM starting Conc, 3× dilution, 11+0 points. Test cpd conc: 30/100 uM starting Conc, 3× dilution, 11+0 points.i) Incubate at 25° C. for 60 minj) Add 10 &#956;L ADP Glo reagent, centrifuge 1000 RPM for 1 mink) Incubate at 25° C. for 40 minl) Add 20 &#956;L kinase detection reagent, centrifuge 1000 RPM for 1 minm) Incubate at 25° C. for 40 minn) Read on Envision for US LUM as RLU
11091	1	Dopamine Transporter Binding Assay	Dopamine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of ice cold modified sucrose phosphate buffer (0.32 M sucrose, 7.74 mM Na2HPO4, 2.26 mM NaH2PO4, pH adjusted to 7.4) using a Brinkman Polytron (setting 6 for 20 sec) and centrifuged at 20,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 10 mg/ml. Ligand binding experiments were conducted in assay tubes containing 0.5 ml sucrose phosphate buffer for 120 min on ice. Each tube contained 0.5 nM 3H WIN 35428 (specific activity 84 Ci/mmol) and 1.0 mg striatal tissue (original wet weight). Nonspecific binding was determined using 0.1 mM cocaine HCl. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% PEI (polyethyleneimine), using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 5 ml cold buffer and transferred to scintillation vials. Beckman Ready Safe (3.0 ml) was added and the vials were counted the next day using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Data were analyzed by using GraphPad Prism software (San Diego, Calif.).
11091	2	Serotonin Transporter Binding Assay	Serotonin Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25° C.), using a Brinkman Polytron and centrifuged at 50,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 15 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at room temperature. Each tube contained 1.4 nM [3H]Citalopram (Amersham Biosciences, Piscataway, N.J.) and 1.5 mg midbrain tissue (original wet weight). Nonspecific binding was determined using 10 mM fluoxetine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.3% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted the next day using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Each compound was tested with concentrations ranging from 0.01 nM to 100 mM for competition against binding of [3H]Citalopram, in at least three independent experiments, each performed in triplicate. Data were analyzed with GraphPad Prism software (San Diego, Calif.).
11091	3	Norepinephrine Transporter Binding Assay	Norepinephrine Transporter Binding Assay. Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. Membranes were prepared by homogenizing tissues in 20 volumes (w/v) of 50 mM Tris containing 120 mM NaCl and 5 mM KCl, (pH 7.4 at 25° C.), using a Brinkman Polytron and centrifuged at 50,000×g for 10 min at 4° C. The resulting pellet was resuspended in buffer, recentrifuged and resuspended in buffer to a concentration of 80 mg/mL. Ligand binding experiments were conducted in assay tubes containing 0.5 mL buffer for 60 min at 0-4° C. Each tube contained 0.5 nM [3H]Nisoxetine (PerkinElmer Life Sciences, Boston, Mass.) and 8 mg frontal cortex tissue (original wet weight). Nonspecific binding was determined using 1 mM desipramine. Incubations were terminated by rapid filtration through Whatman GF/B filters, presoaked in 0.05% polyethylenimine, using a Brandel R48 filtering manifold (Brandel Instruments Gaithersburg, Md.). The filters were washed twice with 3 mL cold buffer and transferred to scintillation vials. Beckman Ready Value (3.0 mL) was added and the vials were counted using a Beckman 6000 liquid scintillation counter (Beckman Coulter Instruments, Fullerton, Calif.). Each compound was tested with concentrations ranging from 0.01 nM to 100 mM for competition against binding of [3H]Nisoxetine, in at least three independent experiments, each performed in triplicate. Data were analyzed by using GraphPad Prism software (San Diego, Calif.) [11; Zou et. al. J. Med. Chem. 2006, 49, 6391-6399]. The results of the in vitro assays, grouped by functionality into the amides and amines are presented in Tables 1 and 2, respectively. All compounds were tested as racemic mixtures.
13294	1	Bromodomain Proximity Assay	The AlphaScreen™ assay was performed following previous publication with minor modifications from the manufacturer&#39;s protocol (PerkinElmer, USA). A 20-μL reaction was set up in a PerkinElmer 384-well AlphaPlate where His-bromodomain at 10 nM was incubated with biotinylated JQ1 at 10 nM, nickel chelate acceptor beads at 12.5 g/mL, and tested compound at various concentrations for 15 min at room temperature, followed by the addition of streptavidin donor beads at 12.5 μg/mL and another 60-min incubation at room temperature. The plate was read on a Tecan Infinite M1000 Pro plate reader.
13295	1	Binding Affinity of Example 1 Compounds to Cbl-b Protein	Compounds were assessed for binding activity to Cbl-b by their ability to compete with and displace a probe comprised of BODIPY-FL fluorophore conjugated to a Cbl-b inhibitor (see Example 54 in WO2020264398). In the assay, a 36-427 aa truncated form of Cbl-b with an N-terminus Avi-tag was incubated 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.1% BSA, 0.5 mM TCEP buffer with streptavidin-terbium (Cisbio). After one hour of incubation at room temperature, 1 uM each of fluorescent probe and compound were combined with the reaction mixture. Compounds with Cbl-b binding activity competitively displace the fluorophore tagged inhibitor thereby disrupting the FRET signal from the terbium-BODIPY-FL complex. The reaction mixtures were incubated for one additional hour at room temperature to allow for competition between inhibitor and candidate compounds to occur. The time resolved FRET (TR-FRET) signal was then read at 520/620 nM (excitation/emission) using a Spectramax M5e plate reader (Molecular Devices) to measure probe displacement. Compounds with Cbl-b binding activity had decreased FRET signal owing to disruption of the terbium-BODIPY-FL FRET complex. Standard methods in PRISM were used to calculate the compound IC50 values from the experimental data.
13296	1	Btk Kinase Activity Assay	Specifically the following was added: (1) compound buffer or control: 5 μL of 5× compound buffer [(5× compound buffer comprised of: 1× Master Buffer, X μM test compound in 5% dimethyl sulfoxide; (2× Master Buffer comprised of 200 mM HEPES, pH 7.5, 0.2% BSA, and 0.02% Triton X-100)]; and (2) enzyme buffer: 10 L of 2.5× enzyme buffer (1× Master Buffer, 12.5 mM MgCl2, 2.5 mM DTT, 25 μM sodium orthovanadate, 25 μM beta-glycerophosphate, and 1.25 nM BTK enzyme). Human BTK enzyme Nanosyn-293HEK, wild-type, available from Nanosyn, Santa Clara, CA). Enzyme and compound were pre-incubated for 15 minutes. Additionally, the following was added: (3) substrate buffer: 10 μL of 2.5× substrate buffer (1× Master Buffer, 50 μM ATP, and 2.5 μM of the peptide substrate FAM). Each plate was incubated at 25° C. for 3 hours. The reaction was terminated by adding to each well: 45 L of 1.55× stop buffer (1× Master Buffer and 31 mM EDTA). The final reaction mixture was as follows: 100 mM HEPES, pH 7.5; 0.1% BSA; 0.01% Triton X-100; 1 mM DTT; 5 mM MgCl2; 10 μM sodium orthovanadate; 10 μM beta-glycerophosphate; 50 μM ATP; 1% dimethyl sulfoxide (from compound); 1 μM fluorescent peptide substrate and 0.5 nM BTK-enzyme. The terminated reactions were analyzed using a 12 channel LABCHIP® 3000 microfluidic detection instrument (available from Caliper Life Sciences, Waltham, MA). The enzymatic phosphorylation of the peptide resulted in a change in net charge, which enabled electrophoretic separation of product from substrate peptide.
13296	2	Cereblon Binding Assay	Competition Assay: Test compounds in 100% dimethyl sulfoxide were plated onto white, low volume 384 well plates (PerkinElmer Proxiplate 384 plus #6008289) using an Labcyte Echo acoustic dispenser, in an 11-point dose curve and 3-fold dilution scheme. This resulted in 10 μM top dose (starting concentration) and 0.1% DMSO final concentrations after the addition of 10 μL of an assay mixture containing His-tagged Cereblon/DDB1 complex and 50 μM biotin-labeled ligand in a buffer (buffer: 10 mM HEPES pH 7.4, 150 mM NaCl, 0.05% Tween-20 and 10 mM DTT). Plates were incubated for 30 minutes at room temperature. Detection: 10 μL detection reagents were added in low light conditions containing nickel chelate acceptor beads and streptavidin donor beads (Perkin Elmer 6760002), resulting in a final concentration 20 μg/ml. Plates were incubated 1 hour and read on a PerkinElmer™ Envision™ plate reader (680 nm excitation and 570 nM emission settings). The IC50 of each compound was determined by calculating percent inhibition from no drug and no protein controls, and the Ki of each compound was calculated using the Cheng-Prusoff transformation.
13297	1	Inhibitory activity curve of compounds on CYP3A4/5 enzymes	Liver microsomes were thawed in a 37° C. water bath prior to use. Liver microsome working solution (final system concentration of 0.5 mg/mL) was prepared. 5 mM NADPH working solution was prepared with phosphate buffered saline. The above stock solution was prepared into a 2 mM working solution with DMSO. The above stock solution was diluted with acetonitrile (4-fold dilution, 6 non-zero concentrations). 238.5 μL of liver microsome working solution was added to a 1.1 mL tube. 1.5 μL of test compound/control working solution/DMSO was added and mixed well by pipetting several times. The mixture was pre-incubated in water bath with shaking at 37° C. for 5 minutes. After the pre-incubation, 60 μL of NADPH working solution was added and mixed well by pipetting several times. The mixture was incubated in water bath with shaking at 37° C. for 10 minutes. Immediately after incubation, 500 μL of quenching solution was added and vortexed for 1 minute. All samples were centrifuged at 4,000 rpm for 15 minutes at 4° C. 300 μL of the above supernatants were aliquoted for further LC-MS/MS analysis.
13298	1	In Vitro Activity Against CBP	The potency and selectivity of CBP/P300 inhibitor compounds including Compound 1 and Compound 1&#39;were determined in biochemical time resolved fluorescence assays using GST fusions of the bromodomains of CBP and BRD4. Briefly, CBP inhibitors were pre-dispensed into 1536 assay plates for a final test concentration of 33 μM to 1.7 nM. Protein and Ligands were added to the compound to a final concentration of 2.5 nM CBP or BRD4 (N-terminal GST-CREBBP (1081-1197), BRD4 tandem domains) and 25 nM Tetra-Acetylated H3 peptide Plates and incubated for 4 h. Data were reported as percent inhibition compared with control wells. IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm.
13299	1	In-Vitro Kinase Activity Assay	Kinase reactions are assembled in 384-well plates (Greiner) in a total volume of 20 μL. Test compounds (3a-3g) were diluted in DMSO to a final concentration, while the final concentration of DMSO in all assays was kept at 1%. The compounds were incubated with the kinases for 30 min. A 0.5 nM concentration of BTK in 100 mM HEPES, pH 7.5; 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 5 mM MgCl2, were used. The reaction was initiated by 2-fold dilution into a solution containing 5 μM ATP and 1 μM substrate in the kinase buffer.
13299	4	Not specidied	Not specidied.
13300	1	Wee1 inhibitory Activity Assay	WEE1 (Thermo Fisher, Cat #PR7373A) protein in buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35) at 15 nM) in different concentrations of compound, and Tracer 178 (Invitrogen, PV5593) and MAb Anti-GST-Eu crypate (Cisbio, 61GSTKLA) were added to 384-well plates (Corning, cat #3574), centrifuged at 1000 rpm for 1 min and the 384-well plates were incubated in a constant temperature shaker for 60 min at 25° C. and 300 rpm. Tracer 178 and MAb Anti-GST-Eu crypate were prepared in buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35) with a final reaction concentration of 50 nM for Tracer 178 and a final concentration of 2 nM for MAb Anti-GST-Eu crypate, where the negative control (minimal signal control) used an equal amount of buffer in place of the protein solution. After incubation, readings were performed using BMG PHERAStar (excitation light at 337 nm and emission light at wavelength values of 620 nm and 665 nm to read the fluorescence signal values). The ratio of the fluorescence signal was calculated: 665/620*1000 was the final signal value of the enzyme activity, and the TR-FRET signal of the reads obtained from the positive control (maximum signal control) and the negative control (minimum signal control) was normalized to give the inhibition rate for different concentrations of the compound.
13300	2	Evaluation of Compound Inhibition of Cytochrome P450	Enzymatic experiments were performed to quantify the inhibition of CYP450 enzyme activity of each isoform of CYP450 by small molecule inhibitors through fluorescence generated by the oxidation of the substrate by cytochrome P450. The experiments were performed in 384-well plates (Corning, Cat #3575) using a reaction buffer of 142.86 mM Potassium Phosphate, pH 7.4. The Solution A components used in the experiments were: 26.13 mM NADP+(Sigma-aldrich, Cat #N0505) 65.77 mM G6P (J&K, Cat #968161) and 65.42 mM MgCl2 (Sigma-aldrich, Cat #M2670). The Solution B composition used for the experiment was: 40 U/mL G6PDH (Sigma-aldrich, Cat #G6378). The substrate mix was 0.05× Solution A, 0.01× Solution B, 50 mM Potassium Phosphate, 0.01 mM BOMCC/0.01 mM EOMCC/0.001 mM DBOMF. For CYP3A4 and CYP2C9, the reaction system was 50 μL or 20 μL, respectively, including 3 nM CYP3A4 or 120 nM CYP2C9, BOMCC substrate mixed solution and different concentrations of compounds to be tested. For CYP2C19, CYP2D6 and CYP1A2, the reaction system was 20 μL and included 12.5 nM CYP2C19, 80 nM CYP2D6 or 1 nM CYP1A2, EOMCC substrate mix and various concentrations of the compounds to be tested. For CYP2C8, the reaction system is 50 μL and includes 1.5 nM CYP2C8, DBOMF substrate mix and various concentrations of compound to be tested. After preincubation with the enzyme for 10 minutes, the substrate was added and the fluorescence signal was read at different wavelengths (BOMCC/EOMCC Ex430 nm/Em480 nm, DBOMF Ex490 nm/Em520 nm) using BMG PHERAStar depending on the substrate, with reaction intervals of 30 seconds or more (depending on the actual number of wells) and reaction times of 30 minutes.
13301	1	LANCE® Eu Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Kinase Assay	LANCE® Eu time-resolved fluorescence resonance energy transfer (TR-FRET) kinase assays (PerkinElmer) were performed in 384-well OptiPlates (Corning) using recombinant AMPK(α1) and AMPK(α2) kinase subunits (Carna), ULight™-CREBtide substrate (PerkinElmer) and ATP (Sigma) according to supplier protocols. All reagents were prepared in kinase buffer (2 mM DTT, 50 mM HEPES, 1 mM EGTA, 10 mM MgCl2, 0.01% Tween20, pH 7.5) and inhibitor solutions were prepared such that the final DMSO concentration did not exceed 0.5%, which was shown to have no effect on kinase activity. AMPK(α1) and AMPK(α2) were used at a final concentration of 4 nM, ULight™-CREBtide substrate was used at a final concentration of 50 nM and ATP was used at final concentration of 8 μM and 20 μM for AMPK(α1) and AMPK(α2), respectively. Assays were performed at 25° C. in a reaction mixture consisting of 2.5 μL serially diluted inhibitor solution, 2.5 μL kinase, 2.5 μL ATP and 2.5 μL substrate. Reagents were incubated for 1 hr before the reaction was halted through the addition of EDTA (10 mM) after which Eu anti-phospho-CREB (Ser133) antibody (PerkinElmer) was added at a final concentration of 2 nM for 1 hr. The plate was read using a BioTek Synergy H1 Hybrid plate reader enabled for TR-FRET (Excitation=340 nm; Substrate emission=665 nm; Antibody emission=615 nm; Delay=100 μs; Integration=200 μs). Emission ratios (665 nm/615 nm) were calculated for each well and half-maximal inhibitory concentration (IC50) values were determined for each inhibitor through non-linear regression analysis of the log dose-response curve. LanthaScreen™ Eu TR-FRET assay (Invitrogen) was performed in 384-well low volume plates (Corning) using recombinant KDR kinase (Carna), Kinase Tracer 236 (Invitrogen) and LanthaScreen™ Eu-anti-GST antibody (Invitrogen). KDR was used at a final concentration of 5 nM, Kinase Tracer 236 was used at a final concentration of 150 nM and LanthaScreen™ Eu-anti-GST antibody was used at a final concentration of 2 nM. All reagents were diluted in 1× kinase buffer A (Invitrogen) and assays were performed at 25° C. in a reaction mixture consisting of 5 μL serially diluted inhibitor solution, 5 μL Kinase Tracer 236 solution, and 5 μL kinase/antibody solution. 
13302	1	CSF1R Kinase Activity Assay	1) Kinase reaction (10 μL system)2.5 μL of 4× test compound was added to each reaction well of the 384 plate, and the corresponding volume of 8% DMSO was added to the control well. The plate was placed on ice. 5 μL of a mixture of kinase/peptide substrate, 2.5 μL of kinase buffer and ATP solution were successively added to each well. Three control groups were set up: Group C1 contains only kinase buffer, group C2 contains the mixture of kinase/peptide substrate, kinase buffer and ATP, and group C3 contains 5 μL of PP solution. After adding the reaction components, the 384-well plate was sealed and incubated at 25-30° C. for 1 h in dark.2) Development reaction5 μL of Development solution was added to each well, sealed and incubated at 25-30° C. for another 1 h in dark.3) Reaction stopping and plate reading5 μL of stopping solution was added to each well. The Coumarin value (excitation at 400 nm, emission at 445 nm) and Fluorescein value (excitation at 400 nm, emission at 520 nm) were measured, respectively.
13303	1	TR-FRET Assay (1 hour)	The DCN1 protein was biotinylated (EZ sulfo-NHS-LC-biotin; Thermofisher) for labeling with streptavidin terbium (Tb) cryptate in the reaction. The probe was changed to a non-covalent DCN1 inhibitor labeled with carboxyfluorescein (FAM; Zhou et al., Nat Commun. 2017; 8: 1150. Doi: 10.1038/s41467-017-01243-7). Buffer conditions were modified to enhance protein stability by exchanging Tween20 for TritonX and increasing NaCl to 200 mM. The compounds were screened against 5 nM DCN1 and 20 nM FAM-probe or 0.31 nM DCN1 and 900 nM total probe (100 nM FAM-labeled plus 800 nM unlabeled). The TR-FRET ratio between Tb-DCN1 and the FAM-labeled probe was measured in a 384-well opti-plate (Perkin Elmer) using a plate reader (BMG) at 1 hour after treatment with compound (final DMSO concentration of 0.1%). The ratio was normalized to the high (DCN1 and FAM-probe) and low (DCN1 and no probe) controls for a readout of % activity (=100*(x−low)/(high−low). The % activity across concentrations is used to determine the IC50.
13303	2	TR-FRET Assay (24 hour)	The DCN1 protein was biotinylated (EZ sulfo-NHS-LC-biotin; Thermofisher) for labeling with streptavidin terbium (Tb) cryptate in the reaction. The probe was changed to a non-covalent DCN1 inhibitor labeled with carboxyfluorescein (FAM; Zhou et al., Nat Commun. 2017; 8: 1150. Doi: 10.1038/s41467-017-01243-7). Buffer conditions were modified to enhance protein stability by exchanging Tween20 for TritonX and increasing NaCl to 200 mM. The compounds were screened against 5 nM DCN1 and 20 nM FAM-probe or 0.31 nM DCN1 and 900 nM total probe (100 nM FAM-labeled plus 800 nM unlabeled). The TR-FRET ratio between Tb-DCN1 and the FAM-labeled probe was measured in a 384-well opti-plate (Perkin Elmer) using a plate reader (BMG) at 24 hrs after treatment with compound (final DMSO concentration of 0.1%). The ratio was normalized to the high (DCN1 and FAM-probe) and low (DCN1 and no probe) controls for a readout of % activity (=100*(x−low)/(high−low). The % activity across concentrations is used to determine the IC50.
11093	1	Kinase Inhibition 	n general, kinases regulate many important cellular activities including cell growth, signaling, metabolism, etc. Different kinases have distinct functions and pathways. Selective inhibition of ROCK1 and ROCK2 avoids off target activity that may cause undesired side effects such as toxicity.The protocols outlined in Examples 5 and 6 were followed to test ROCK1 and ROCK2 kinase inhibition and cancer cell viability with compounds from Table 1. As shown in Table 2, the compounds demonstrated inhibition of the ROCK1 and ROCK2 kinases and growth of cancer cells.
11094	1	Factor D Esterolytic Assay	An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Harper, J. W.; Niemann, M. A.; Volanakis, J. E.; Powers, J. C. Human complement proteins D, C2, and B Active site mapping with peptide thioester substrates. J Biol. Chem. 1987, 262, 3444-3451). For this assay Z-Lys-SBzl, 1.29 mM (Kim, S.; Narayana, S. V. L; Volanakis, J. E. Mutational analysis of the substrate binding site of human complement Factor D. Biochemistry. 1994, 33, 14393-14399) was used as the substrate for Factor D (104 mM). Hydrolysis of this compound by Factor D liberated a free sulfhydryl group which is then reacted with 5,5&#8242;-dithiobis(2nitrobenzoic acid) producing an intense yellow color (Habeeb, A. F. S. A. Reaction of protein sulfhydryl groups with Ellman&#39;s Reagent. Methods in Enzymol. 1976, 25, 457-464). The assays were performed in 96 well microtiter plates and rates of hydrolysis were monitored at 405 nm on a Biotek Synergy H1 plate reader. Hydrolysis rates were reported as change in mOD/min. The assay was conducted in 100 mM HEPES, 500 mM NaCl, pH 7.5 containing 10% DMSO in a final volume of 50 &#956;L per well.
11095	1	EnPlex (purified enzyme activity assay)	This assay is described in Bachovchin et al. Nature Chemical Biology 10, 656-663 (2014). Briefly, purified enzymes are coupled to Luminex microspheres, with a different bead color for each enzyme. Multiplexed bead complexes are incubated with a compound before being treated with a biotinylated activity-based probe and a streptavidin R-phycoerythrin conjugate (SAPE). The mixtures are scanned on a Luminex flow cytometer, where one laser detects the bead color (enzyme identity) and a second laser detects the R-phycoerythrin signal (enzyme activity). The enzyme concentration is calculated assuming 100% of the protein was coupled to the beads.
11096	1	Cytokine Assays	Cytokine inhibitory activity is determined by measuring the effect of test agent on the release of the cytokines IL-4, IL-13 and IFN&#947; from human peripheral blood mononuclear cells (PBMCs) stimulated with the T-cell mitogen phytohemagglutinin-L (PHA-L). At the time of assay, human PBMCs (Astarte Biologics) are removed from cryopreservation, thawed quickly at 37° C., diluted in assay medium (RPMI-Gibco 1640 medium, 10% heat inactivated fetal bovine serum (HIFBS), 2 mM glutamine and 10 mM HEPES pH 7.4) and then centrifuged at 250×g for 5 minutes. The resulting cell pellet is re-suspended in assay medium to a concentration of approximately 5×106 cells/mL and 50 &#956;L of this cell suspension (approximately 250,000 cells) is added to each well of a 384-well cell culture microtiter plate (Perkin Elmer). Varying concentrations of test compound are then diluted in assay medium and added to the assay plate wells in a volume of 25 &#956;L. After &#8722;10 minutes at room temperature (21° C.) the cells are stimulated by the addition of 25 &#956;L of PHA-L (14 &#956;g/mL; Millipore) and the assay plate is placed in an incubator at 37° C. in a humidified environment in 5% carbon dioxide. The final assay conditions are approximately 250,000 human PBMCs per well in assay medium containing 3.5 &#956;g/mL PHA-L and the indicated final concentration of test compound (approximately 10 &#956;M to 9.5 &#956;M by 4-fold dilution). The final concentration of DMSO in the assay is approximately 0.25%. After 48 hours, the assay plate is removed from the incubator and centrifuged at 250×g for 5 minutes. A portion of the resulting cell supernatant is then used to determine the amount of IL-4, IL-13 and IFN&#947; in each well. Cytokine measurements are made using human IL-4, IL-13 or IFN&#947; HTRF assay kits (CisBio) following the manufacturer&#39;s assay protocol. The concentrations and resulting effect values for tested compounds are plotted and the concentration of compound required for 50% effect (IC50) is determined with a four-parameter logistic dose response equation (E-WorkBook, ID Business Solutions Ltd.).
11097	1	DLK Kd Determinations	A fusion protein of full length of human DLK (amino acids 1-859) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The DLK fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5&#8242;-GGGAATTCCC-3&#8242;, SEQ ID NO:1) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).Streptavidin-coated magnetic beads (Dynal M280) were treated with a biotinylated small molecule ligand for 30 minutes at room temperature to generate affinity resins the binding assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce nonspecific binding.
11098	1	HTRF KinEASE Assay	ASK1 was purchased from Thermofisher (Catalogue # PV4011), ATP was purchased from Sigma (Catalogue # A7699), HTRF KinEASE Assay System was obtained from Cisbio (Bedford, Mass.). A Area plate was purchased from Perkin Elmer (Catalogue # #6005560). HTRF KinEASE -STK is a generic method for measuring serine/threonine kinase activities using a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. The IC50 value for each compound was determined in the presence of compound (various concentration from 0 to 10 &#956;M) and a fixed amount of ATP and peptide substrates. The test compound, 1 uM STK3 peptide substrate, and 5 nM of ASK1 kinase are incubated with kinase reaction buffer containing 50 mM HEPES pH 7.5, 0.01% BRU-35, 10 mM MgCl2, and 1 mM EGTA for 30 minutes. 100 uM ATP is added to start kinase reaction and incubated for 3 hours. The STK3-antibody labeled with Eu3+-Cryptate and 125 nM streptavidin-XL665 are mixed in a single addition with stop reagents provided by the Cisbio kit used to stop the kinase reaction. Fluorescence is detected using an Envision Multilabeled 2014 reader from PerkinElmer. The Fluorescence is measured at 615 nm (Cryptate) and 665 nm (XL665) and a ratio of 665 nm/615 nm is calculated for each well. The resulting TR-FRET is proportional to the phosphorylation level. Staurosporine was used as the positive control. IC50 was determined by XLfit 5.3.
11099	1	Assay Measuring Activity of Test Compounds on Viral Production from HepAD38 Cells	HepAD38 cells grown in a T-150 flask (Corning, cat #: 430825) with Growth Medium (DMEM/F12 (1:1) (Hyclone, cat #: SH30023.02), 1× Pen/Strep (Invitrogen, cat #: 15140-122), 10% FBS (Tissue Culture Biologics, cat #: 101), 250 &#956;g/mL G418 (Alfa Aesar, cat #: J62671), 1 &#956;g/mL Tetracycline (Teknova, cat #: T3320)) were detached with 0.25% trypsin-EDTA to (Invitrogen, cat #: 25200-056). Tetracycline-free treatment medium (15 mL DMEM/F12 (1:1) 1× Pen/step, with 2% FBS, Tet-system approved (Clontech, cat #: 631106) were then added to mix, transferred into a 50 ml conical tube (Falcon, cat #: 21008-918,) and spun at 1300 rpm for 5 min. Pelleted cells were then re-suspended/washed with 50 mL of 1×DPBS (Invitrogen, cat #: 14190-136) 2 times and 50 mL treatment medium twice. HepAD38 cells were then re-suspended with 10 mL of treatment medium, syringed and counted. Wells of 96-well clear bottom TC plate (Corning, cat #: 3904,) were seeded at 50,000 cells/well in 180 &#956;L of treatment medium, and 20 &#956;L of either 10% DMSO (Sigma, cat #: D4540) as controls or a 10× solution of test compounds in 10% DMSO in treatment media was added for a final compound concentration starting at 10 &#956;M, and plates were incubated in 5% CO2 incubator at 37° C. for 5 days.Subsequently viral load production was assayed by quantitative PCR (qPCR) of the HBV core sequence. PCR reaction mixture containing forward primers HBV-f 5&#8242;-CTGTGCCTTGGGTGGCTTT-3&#8242; (IDT DNA), Reverse primers HBV-r 5&#8242;-AAGGAAAGAAGTCAGAAGGCAAAA-3&#8242; (IDT DNA), Fluorescent TaqMan Probes HBV-probe 5&#8242;-FAM/AGCTCCAAA/ZEN/TTCTTTATAAGGGTCGATGTC/3IABkFQ-3&#8242; (IDT DNA), 10 &#956;L/well of PerfeCTa qPCR ToughMix (Quanta Biosciences, Cat #: 95114-05K), and 6 &#956;L/well of DEPC water (Alfa Aesar, cat #: J62087) was prepared. Four 4 of supernatant was added to 16 &#956;L of the reaction mixture in a qPCR plate (Applied Biosytems, Cat #: 4309849), sealed with a film (Applied Biosystems, Cat #: 4311971), centrifuged for a few seconds, and subsequently run on an Applied Biosystems VIIA7. The PCR mixture was incubated at 45° C. for 5 min, then 95° C. for 10 min, followed by 40 cycles of 10 seconds at 95° C. and 20 seconds at 60° C. Viral load was quantified against known HBV DNA standards by using ViiA 7 Software. Viral load in the supernatant from wells with treated cells were compared against viral load in supernatant from DMSO control wells (>3 per plate). Cell viability assay was performed with CellTiter-Glo Luminescent Cell Viability Assay (Promega, cat #: G7573) with modification. Mixed appropriate amount of CellTiter-Glo (CTG) 1×DPBS in a 1:1 ratio, added 100 uL of the mixture to each well followed completely removal of all supernatant in each well without touching cell surface. Incubated the plate at room temperature for 10 min on an orbital shaker, and then read the plate with a plate reader (TECAN M1000 or Envision).
11100	1	Vps34 Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. By the use of Dotmatics software compound concentration versus percent inhibition was fitted to generate IC50 values.
11101	1	Solid Phase Integrin alphavbeta6 Binding Assay	Microplates were coated with recombinant human integrin &#945;v&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). The plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
11102	1	Hsp90 chaperone assay	The Hsp90 chaperone assay was performed to measure the ability of HSP90 protein to refold the heat-denatured luciferase protein. HSP90 was first incubated with different concentrations of test compounds in denaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol) at room temperature for 30 min. Luciferase protein was added to denaturation mix and incubated at 50° C. for 8 min. The final concentration of HSP90 and luciferase in denaturation mixture were 0.375 &#956;M and 0.125 &#956;M respectively. A 5 &#956;l sample of the denatured mix was diluted into 25 &#956;l of renaturation buffer (25 mM Tris, pH7.5, 8 mM MgSO4, 0.01% bovine gamma globulin and 10% glycerol, 0.5 mM ATP, 2 mM DTT, 5 mM KCl, 0.3 &#956;M HSP70 and 0.15 &#956;M HSP40). The renaturation reaction was incubated at room temperature for 150 min, followed by dilution of 10 &#956;l of the renatured sample into 90 &#956;l of luciferin reagent (Luclite, PerkinElmer Life Science). The mixture was incubated at dark for 5 min before reading the luminescence signal on a TopCount plate reader (PerkinElmer Life Science).
11102	2	HSP90 Competition Binding (Fluorescence Polarization) Assay	A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis for the fluorescence polarization assay. A free and fast-tumbling FITC labeled GM emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When GM is bound to HSP90, the complex tumble slower and the emitted light is polarized, resulting in a higher mP value. This competition binding assay was performed in 96-well plate and with each assay contained 10 and 50 nM of labeled GM and purified HSP90 protein (Assay Design, SPP-776F) respectively. The assay buffer contained 20 mM HTEPES (pH 7.3), 50 mM KCl, 1 mM DTT, 50 mM MgCl2, 20 mM Na2MoO4, 0.0100 NP40 with 0.1 mg/mi bovine gamma-globulin. Compounds are diluted in DMSP and added to the final assay before labeled GM with concentration range from 20 uM to 2 nM. mP value was determined by BioTek Synergy II with background subtraction after 24 hours of incubation at 4° C.
11103	1	BRD9 bromodomain TR-FRET Competition Binding Assay	Procedure: His-Flag-BRD9 (P133-K239; Swiss Prot Q9H8M2; SEQ ID NO:1 mgsshhhhhhenlyfq/gdykddddkgslevlfqg/PAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMII KHPMDFGTMKDKIVANEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSK) was cloned, expressed, purified, and then treated with TEV protease. Cleaved His tag was removed by purification. The binding of a biotinylated small molecule ligand of BRD9 was assessed via the LANCE TR-FRET platform (PerkinElmer), and the compounds were assayed for inhibitory activity against this interaction.A mixture of biotinylated-ligand and SureLight Allophycocyanin-Streptavidin (APC-SA, PerkinElmer AD0201) in 50 mM HEPES (pH 7.4), 50 mM NaCl, 1 mM TCEP (pH 7), 0.01% (v/v) Tween-20, 0.01% (w/v) bovine serum albumin was added to a white 384-well PerkinElmer Proxiplate Plus plate. DMSO or 3-fold serially diluted compounds were then added to the Proxiplate followed by addition of Flag-BRD9. After a 10-minute incubation at room temperature, Eu-W1024 anti-FLAG (PerkinElmer, AD0273) was added. The final reaction mixture that contained 3.75 nM biotinylated ligand, 3 nM Flag-BRD9, 7.5 nM SureLight Allophycocyanin-Streptavidin, and 0.2 nM Eu-W1024 anti-FLAG was incubated at room temperature for 90 minutes.
11104	1	Usp14 Inhibition Assay	Usp14 Inhibition Assay was described in B. H. Lee et al. Nature 2010, 467 (9), 179.
11105	1	Inhibitory Activity Assay	IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecular Devices), and ATP were diluted with an assay buffer so that the final concentration would be 4 &#956;g/mL, 2 &#956;M, and 20 &#956;M, respectively. FAM-PKAtide (R7255, Molecular Devices) and FAM-Phospho-PKAtide (R7304, Molecular Devices) were admixed after dilution, and calibration standard systems for phosphorylation levels from 0 to 100% were created. 5 &#956;L of a compound dissolved in a 0.4% DMSO solution was added to a 384 well plate. A compound study group to which 5 &#956;L of each of CHK1, CHK1tide, and ATP was added, and a standard group to which 20 &#956;L of standard was added were created, and subjected to a kinase reaction for 3 hours at 30° C. Subsequently, 60 &#956;L of Binding Reagent (80% Buffer A, 20% Buffer B, 1:600 Binding Reagent, 1:400 Tb-Donor) was added for a binding reaction for 2 hours at room temperature. SpectraMax Paradigm (Molecular Devices) was used to obtain fluorescence intensity of 520 nm or 490 nm as of 340 nm excitation. The standard was used to compute the phosphorylation level of CHK1tide, and the kinase activity was found by using the equation described below while assuming the phosphorylation level of the DMSO treated group as 100%, and the IC50 value corresponding to the concentration of the evaluated compound indicating kinase activity of 50% was calculated.
11105	2	hERG Assay	The test compounds were added to cultured hERG (human Ether-a-go-go Related Gene) gene stably expressing CHO cell line cells to achieve 0.27 to 100 &#956;M. The hERG current under electric potential stimulation was measured using Qube384 (Sophion Bioscience) to calculate the concentration at which each test compound suppresses 50% hERG current (IC50 value; &#956;M).
11106	1	CB1 and CB2 Receptor Binding Assay	CB1R binding protocol involves the use of the same solution buffer used for both incubation and washing reaction (Tris-HCl, 50 mM; EDTA, 2.5 mM; MgCl2, 2.5 mM; BSA, 0.5 mg/mL at pH 7.4), 0.4 nM for [3H]CP-55,940, test compounds (concentrations from 0.001 to 10 &#956;M), and finally 8 &#956;g/sample membrane in a total volume of 200 &#956;L. CB2R binding assays were carried out with two different buffers: incubation buffer (Tris-HCl, 50 mM; MgCl2, 5 mM; CaCl2 1 mM; BSA, 0.2% at pH 7.4) and washing buffer (Tris-HCl, 50 mM; NaCl 500 mM; BSA, 0.1% at pH 7.4). The assay mixture contained incubation buffer, 0.4 nM [3H]CP-55,940, test substances (concentrations from 0.001 to 10 &#956;M), and 4 &#956;g/sample membrane in a total assay volume of 200 &#956;L. Assays were performed in duplicate and incubated for 120 mM at 37° C. After the incubation, the assay mixture is filtered through 96 GF/C filter plates (Perkin Elmer #6005174) using Perkin Elmer Filtermate Harvester, and then washed four times with ice-cold washing buffer.
11107	1	Biochemical Assay	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate.A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 10000 of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).
11108	1	Inhibitory Effects on Recombinant AOX Protein	Table 1 summarises the concentration of inhibitor required to reduce the respiration of purified recombinant AOX protein by 50%. Respiration was measured as the rate of oxygen consumption in the presence of 1 mM NADH as substrate and the numbers represent the final I50 concentration of the inhibitor.
11109	1	HPK Lantha Binding Assay	For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 ul 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23 C incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters:TR_FRET, 340ex/615 and 665em; 100 usec Delay; and 200 usec integration.
11109	2	HPK1-FL HTRF Enzymatic Assay	To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 &#956;l/well kinase mix. The mixture was preincubated for 30 minutes and then 4 &#956;l/well substrate mix was added. The solution was incubated for 60 min and then 4 &#956;l/well detection mix was added. The solution was incubated for another 60 min. The plates were then loaded onto a Perkin Elmer Envision and the TR-FRET signal was measured at 615 and 665 nm. A ratio of 665/620 was used to calculate the % activity at each concentration of compound.
11110	1	Biochemical Assay	A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 and 61, such as G12C, G12D, G12V, G12S, G13C, G13D, and Q61L, and others described herein). The purpose of this biochemical assay is to measure the ability of test compounds to covalently label nucleotide-loaded K-Ras isoforms. In assay buffer containing 12.5 mM HEPES pH 7.4, 75 mM NaCl, 1 mM MgCl2, 1 mM BME, 5 uM Cyclophilin A and 2 uM test compound, a 5 uM stock of GMP-PNP-loaded K-Ras (1-169) G12C is diluted 10-fold to yield a final concentration of 0.5 uM; with final sample volume being 100 uL. The sample is incubated at 25 C. for a time period of up to 24 hours prior to quenching by the addition of 10 uL of 5% Formic Acid. Quenched samples are centrifuged at 15000 rpm for 15 minutes in a benchtop centrifuge before injecting a 10 uL aliquot onto a reverse phase C4 column and eluting into the mass spectrometer with an increasing acetonitrile gradient in the mobile phase. Analysis of raw data may be carried out using Waters MassLynx MS software, with % bound calculated from the deconvoluted protein peaks for labeled and unlabeled K-Ras.
11111	1	Enzymatic Assay	Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 &#956;L of 30 nM IDH1-R132H or 10 nM IDH1-R132C recombinant protein in assay buffer (50 mM Tris pH=7.5, 150 mM NaCl, 5 mM MgCl2, 0.1% (w/v) Bovine Serum Albumin, and 0.01% Triton X-100) in each well at 25° C. for 15 minutes. After the plate was centrifuged briefly, an aliquot of 10 &#956;L of 2 mM &#945;-ketoglutarate and 20 &#956;M NADPH solution prepared in assay buffer was then added to each well and the reaction was maintained at 25° C. for 45 minutes. An aliquot of 10 &#956;L of diaphorase solution (0.15 U/mL diaphorase and 30 &#956;M Resazurin in assay buffer) was added to each well. The plate was maintained at 25° C. for 15 minutes and then read on a plate reader with excitation and emission wavelengths at 535 nm and 590 nm, respectively. The IC50 of a given compound was calculated by fitting the dose response curve of inhibition of NADPH consumption at a given concentration with a four parameter logistic equation.
11112	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
11113	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.2 &#956;L was transferred to the wells of a 384-well plate. A 5 &#956;L/well volume of enzyme isoforms of FGFR (-1, -2, -3 wild-type and mutant isoforms, -4) including phosphorylated and un-phosphorylated proteins diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated with inhibitor for 5 to 15 minutes at ambient temperature. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The reaction was initiated by the addition of a 5 &#956;L/well volume containing both biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP in assay buffer. The 10 &#956;L/well reaction concentration of the peptide substrate was 500 nM whereas the ATP concentration was maintained near or below the ATP Km. The ATP Km values were pre-determined in a separate series of experiments. The reaction plate was incubated at 25° C. for 1 hr and the reactions were ended with the addition of 5 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 45 mM EDTA, 600 nM staurosporin, with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 10 minutes at ambient temperature before scanning on a PheraStar plate reader (BMG Labtech) instrument.
11114	1	Binding Affinities to Different Adenosine Receptors	Binding affinity and specificalities of the compounds against different subtype of human adenosine receptors (hA1, hA2a, hA2b, and hA3) were characterized with cell member chromatography binding analysis.  The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopenthyl-1-,3-dipropylxanthine (DPCPX) for 50 min at 25C, meanwhile 100uL 0.5% PEI solution was added into UNFILTER-96 GF/B filter palate for 60 min at 4C then UNFILTER-96 GF/B filter palate was washed twice with 50ml wash buffer, the membrane mix was transferred into UNFILTER-96 GF/B filter palate, and the filter plate was washed 4 times before incubated at 55C for 10 min. At last, 40 uL ULTIMA GOLD was added into each well, and CPM was read by TopCount.
11115	1	Inhibition Assay	Staphylococcus aureus: Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 2.1, using reaction mixtures containing (20uL): 0-100 nM test salt, 75 nM S. aureus RNA polymerase core enzyme, 300 nM S. aureus &#963;, 20nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100uM ATP, 100uM GTP, 100uM UTP, 100uM CTP, 40 mM Tris-HCl, pH 8.0, 80mM NaCl, 5mM MgCl2, 2.5mM DTT, and 12.7% glycerol. 
11115	2	Inhibition Assay	Escherichia coli: Fluorescence-detected RNA polymerase assays with E.coli RNA polymerase were performed by a modification of the procedure of Khulman et al., 2004. Reaction mixtures contained (200): 0-100 nM test salt, 75nM E.coli RNA polymerase &#963;70 holoenzyme, 20nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 uM ATP, 100 uM GTP, 100 uM UTP, 100 uM CTP, 50mM Tris-HCl, pH 8.0, 100 nM KCl, 10mM MgCl2, 1mM DTT, 10uM/ml bovine serum albumin, and 5.5% glycerol. Reaction components other than DNA and NTPs were pre-incubated for 10 min at 37C. Reactions were carried out by addition of DNA and incubation for 5 min at 37C, followed by addition of NTPs and incubation for 60 min at 37C. DNA was removed by addition of 1ul 5mM CaCl2 and 2U DNasel, followed by incubation for 90 min at 37C. 
11116	1	MEK Inhibition Assay	Reaction buffer: 20mM Hepes (pH 7.5), 10mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02mg/mL BSA, 0.1 mM, Na3VO4, 2mM DTT, 1% DMSO Enzyme: MEK1, Invitrogen cat #PV3303 N-terminal His-tagged recombinant human full length protein, expressed in insect cells, Activated in vitro by RAF1. MW=49.2 kDa, GenBank Accession No. NP_002746. Substrate: 5uM ERK2 (K52R). Kinase-dead mutant (GenBank Acession No NM_0011949), aa2-358 with N-terminal His6 tag, MW=43.63 kDa, expressed in E.coli.
11117	1	FGFR1 Activity Inhibition Test	The reaction buffer contains the following components: 5-fold diluted enzymatic buffer/kinase 5x(Cisbio, Cat No. 62EZBFDD)(its main component is 50nM HEPES, pH 7.0), 5mM MgCl2 and 1 mM DTT, a human recombinant FGFR1 catalytic domain protein (amino acid 308-731) which was purified by the company, a0.6ng/uL kinase solution diluted by the reaction buffer; a substrate reaction solution containng 400 nM biotinylated tyrosine kinase substrate diluted by the reaction buffer (Cisbio, Cat. No. 62TKOPEC) and 40 uM ATP; a test solution containng 0.125 ng/uL Eu3+ labeled cage antibody (Cisbio, Cat. No 61T66KLB) diluted by a test buffer (Cisbio, Cat No 62SDBRDF), and 25nM streptavidin labeled XL665 (Cisbio, Cat. No. 610SAXLB).
11117	2	FGFR2 Activity Inhibition Test	The reaction buffer contains the following components: 5-fold diluted enzymatic buffer/kinase 5x(Cisbio, Cat No. 62EZBFDD)(its main component is 50nM HEPES, pH 7.0), 5mM MgCl2 and 1 mM DTT, a human recombinant FGFR2 catalytic domain protein (amino acid 400-821) which was purchased from Yiqiao Shenzhou Biotech Co. Ltd., a 0.45ng/uL kinase solution diluted by the reaction buffer; a substrate reaction solution containing 800 nM biotinylated tyrosine kinase substrate diluted by the reaction buffer (Cisbio, Cat. No. 62TKOPEC) and 50 uM ATP; a test solution containng 0.125 ng/uL Eu3+ labeled cage antibody (Cisbio, Cat. No 61T66KLB) diluted by a test buffer (Cisbio, Cat No 62SDBRDF), and 50nM streptavidin labeled XL665 (Cisbio, Cat. No. 610SAXLB).
11117	3	FGFR3 Activity Inhibition Test	The reaction buffer contains the following components: 5-fold diluted enzymatic buffer/kinase 5x(Cisbio, Cat No. 62EZBFDD)(its main component is 50nM HEPES, pH 7.0), 5mM MgCl2 and 1 mM DTT, a human recombinant FGFR2 catalytic domain protein (amino acid 399-806) which was purchased from Yiqiao Shenzhou Biotech Co. Ltd., a 0.3 ng/uL kinase solution diluted by the reaction buffer; a substrate reaction solution containing 1000 nM biotinylated tyrosine kinase substrate diluted by the reaction buffer (Cisbio, Cat. No. 62TKOPEC) and 90 uM ATP; a test solution containng 0.125 ng/uL Eu3+ labeled cage antibody (Cisbio, Cat. No 61T66KLB) diluted by a test buffer (Cisbio, Cat No 62SDBRDF), and 62.5nM streptavidin labeled XL665 (Cisbio, Cat. No. 610SAXLB).
11117	4	FGFR4 Activity Inhibition Test	The reaction buffer contains the following components: 5-fold diluted enzymatic buffer/kinase 5x(Cisbio, Cat No. 62EZBFDD)(its main component is 50nM HEPES, pH 7.0), 5mM MgCl2 and 1 mM DTT, a human recombinant FGFR4 catalytic domain protein (amino acid 460-802) which was purchased from Tsinghua University Protein Research Technology Center, a 0.5 kinase solution diluted by the reaction buffer; a substrate reaction solution containing 500 nM biotinylated tyrosine kinase substrate diluted by the reaction buffer (Cisbio, Cat. No. 62TKOPEC) and 90 uM ATP; a test solution containing 0.125 ng/uL Eu3+ labeled cage antibody (Cisbio, Cat. No 61T66KLB) diluted by a test buffer (Cisbio, Cat No 62SDBRDF), and 31.25nM streptavidin labeled XL665 (Cisbio, Cat. No. 610SAXLB).
11118	1	IDO1 Enzymatic Inhibition Assay	A standard reaction mixture (200uL/well) containing 50mM potassium phosphate buffer (pH 6.5), 20 mM ascorbic acid (neutralized with NaOH), 200 ug/mL catalase, 10uM methylene blue, 6.25 ug/mL recombinant human IDO1 and 200 uM L-Tryptophan was added to the test compound dissolved in DMSO at a determined concentration. The mixture was incubated for 1 hour at 37C and the rection was stopped by adding 40uL/well of 30% (w/v) trichloroacetic acid. After heating at 65C for 15 min, 125 uL was transferred into a well of a 96-well microplate and mixed with 125uL of 2% (w/v) p-dimethylaminobenzaldehyde in acetic acid.
11118	2	TDO2 Enzymatic Inhibition Assay	A Standard reaction mixture (200 uL/well) containing 50 mM potassium phosphate buffer (pH 6.5), 20mM ascorbic acid (neutralized with NaOH), 200 ug/ml catalase, 10uM methylene blue, 12.5 ug/mL recombinant human IDO1 and 500 uM L-Tryptophan was added to test compound dissolved in DMSO at a determined concentration. The mixture was incubated for 1 hour at 37C and the reaction was stopped by adding 40uL/well of 30% (w/v) trichloroacetic acid. After heating at 65C for 15 min, 125uL was transferred into a well of a 96-well microplate and mixed with 125uL of 2% (w/v) p-dimethylaminobenzaldhyde in acetic acid.
11119	1	Biochemical Assay	The enzyme and peptide solution were incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5ul reaction mixture contained 500uM ATP, 2uM peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0 nM of IRAK4 in reaction buffer (50nM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1mM Orthovanadate, 5nM MgCl2, 0.025% NP-40, 1mM DTT). After 120 min of incubation at room temperature, 5ul of Stop and Detect Solution *1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125nM Tracer in a 50 nM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2013 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340nm/615nm/665nM, respectively.
11120	1	Time-Resolved Fluorescence (HTRF) Binding Assay	Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assay were carried out at 24C in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystem (PDI-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystem (PD1-H5257). PD-L1 proteins were diluted in the assay buffer and 10ul was added to the plate well.  Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. 
11121	1	Inhibition of Histone Deacetylase Enzymatic Activity Assay	HDAC1: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. Trypsin Coupled Assay: HDAC1-Kinetic IC50 3Hr PreIncubation. Working Stocks: 1xHDAC Assay Buffer: 50 mM HEPES (GIBCO 15630-114), 100mM KCl, 0.001% Tweem-20 (Zymed 00-3005), 0.05% BSA (Invitrogen, P2489), pH 7.4, 1.5xHDAC+1.5xTrypsin: 225nM Trypsin(Worthinton)+0.18 ug/ml HDAC1 (BPS Inc) in assay buffer 300x Trypsin stock is made up in HDAC Assay Buffer, aliquoted and stored at -80C. 3xSubstrate: 18uM Substrate in assay buffer BPS Enzyme and Substrate amounts (per well).
11121	2	Inhibition of Histone Deacetylase Enzymatic Activity Assay	HDAC2: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC2-Kinetic IC50 3Hr PreIncubation. Working Stocks: 1xHDAC Assay Buffer: 50 mM HEPES (GIBCO 15630-114), 100mM KCl, 0.001% Tween-20 (Zymed 00-3005), 0.005% BSA (Invitrogen, P2489), pH 7.4, 1.5xHDAC+1.5xTrypsin: 225nM Trypsin(Worthinton)+0.2 ug/ml HDAC2 (BPS Inc) in assay buffer 300x Trypsin stock is made up in HDAC Assay Buffer, aliquoted and stored at -80C. 3xSubstrate: 13.8uM Substrate in assay buffer BPS Enzyme and Substrate amounts (per well).
11121	3	Inhibition of Histone Deacetylase Enzymatic Activity Assay	HDAC3: The following trypsin-coupled protocol and Caliper protocol described Herein was used to assay the compounds of the invention. HDAC3-Kinetic IC50 3Hr PreIncubation. Working Stocks: 1xHDAC Assay Buffer: 50 mM HEPES (GIBCO 15630-114), 100mM KCl, 0.001% Tween-20 (Zymed 00-3005), -0.05% BSA (Invitrogen, P2489), pH 7.4, 1.5xHDAC: 0.1 ug/ml HDAC3 (BPS Inc) in assay buffer 3x Substrate+3x Trpsin: 28.5 uM Substrate + 450nM Trpsin in assay buffer 300x Trypsin stock is made up in HDAC Assay Buffer, aliquoted and stored at -802C. BPS Enzyme and Substrate amounts (per well).
11122	1	Inhibitory Effect of Compounds on BRD	Homogeneous time=resolved fluorescence (HTRF) was used to detect the binding of the compound to BRD4(D1 + D2) and BRDT (D1) proteins, and the AlphaScreen method used to detect the binding of the compound to BRD2 (D1+D2) and BRD3 (D1+D2) proteins.  Detection steps: 1) All compounds were gradiently diluted on Echo plate according to the arrangement of the test plate. The final concentration of DMSO was 0.1%. 2) Compounds or DMSO was transferred to a 384-well assay plate by using Echo autosampler. 3) 2x concentration of protein and peptide mixture was added to the assay plate. 4) 2x concentration of the mixed detection solution was added to the assy plate and shaken for 30 seconds. 5) The plate was incubated at room temperature for 2 hours. 6) The fluorescence signal was read on Envision microplate reader (with excitation light wavelength at 349nM and emission light wavelengths at at 615 nm and 665 nm). 7) The curve was fitted.
11123	1	USP30 Enzymatic Assay (Rhodamine Assay)	USP30 inhibition was tested with recombinant human USP30 using the fluorescent substrate Ubiquitin-Rhodamine 110 (UBPBio) in 1536-well format. Compounds in DMSO were dispensed using a Labcyte Echo 550 (50nl/well). 2ul of 4nM USP30 in 25mM HEPES (pH 7.5) 100 mM NaCl 0.01% Triton X-100 1mM DTT was added to each well and incubated for 2hr at room temperature. 6ul of 53nM Ubiquitin-Rhodamine 110 in 25nM HEPES (pH 7.5) 100nM Nacl 0.01% Triton X-100 4mM DTT 0.02% BSA was then added to each well and incubated for an additional 2hr at room temperature. Fluorescence measurements were obtained using an Envision 2102 (Perkin Elmer) with &lambda;ex=485 nm and &lambda;ex=535 nm. USP30 with DMSO and buffer alone with DMSO were used for normalization for 100% activity and 0% activity, respectively.
11124	1	Receptor Binding Assay	5-HT2A: A solution containing 50 &#956;L of [H]-ketanserin (the final concentration: 1 nM), 2 &#956;L of a solution of a test compound in DMSO or a solvent (DMSO), and 148 &#956;L of human 5-HT receptor-expressed CHO cell membrane sample was reacted in a 50 mmol/L Tris-HCl buffer (pH=7.6), and then was let stand at 37° C. for 15 minutes. Then, the resultant was added promptly to a glass fiber filter plate (Multiscreen FB, Millipore) coated with 0.05% Brij 35 and filtered under reduced pressure. The filtered substance on the glass fiber filter was washed with 200 &#956;L of ice-cooled 50 mmol/L Tris-HCl (pH=7.6) twice and repeated to be filtered under reduced pressure, followed by transfer to a vial containing 2 mL of Ecoscint A (National Diagnostics). The radioactivity of the filtered substance remained on the glass fiber filter was measured by liquid scintillation counter. The radioactivity value measured by liquid scintillation counter was deemed to be a receptor binding activity, and the binding inhibition was calculated from the total binding (TB), non-specific binding (NSB), and specific binding (SB) of a test compound according to the following equations.
11124	2	Receptor Binding Assay	5-HT2C: A solution containing 50 &#956;L of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about 2 nM), 149 &#956;L of 5-HT2C/CHO cell membrane sample (20 &#956;g/well for the amount of protein), and 1 &#956;L of a solution of a test compound dissolved in DMSO or a solvent (DMSO) was reacted at 37° C. for 30 minutes, and then filtered promptly by aspiration under lower pressure with a glass fiber filter coated with a 1% aqueous solution of bovine serum albumin. The filtered substance on the glass fiber filter was washed with 250 &#956;L of 50 mmol/L Tris-HCl (pH=7.4) twice, and then transferred to an ACS-II (Amersham) 4-mL-glass vial. The radioactivity of the filtered substance remained on the filter was measured by liquid scintillation counter. The radioactivity value measured by liquid scintillation counter was deemed to be a receptor binding activity, and the binding inhibition was calculated from the total binding (TB), non-specific binding (NSB), and specific binding (SB) of a test compound according to the following equations.
11124	3	Sert Binding Assay	Specifically, a solution containing 50 &#956;L of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 120 mmol/L NaCl and 5 mmol/L KCl) (the final concentration: about 2 nmol/L), 149 &#956;L of h-SERT/CHO cell membrane sample (40 &#956;g/well for the amount of protein), and 1 &#956;L of a solution of a test compound in DMSO or a solvent (DMSO) was reacted at room temperature for 60 minutes, and then filtered promptly by aspiration under lower pressure with a glass fiber filter coated with a 0.05% aqueous polyethyleneimine solution. The filtered substance on the glass fiber filter was washed with 250 &#956;L of SERT buffer twice, and then transferred to an ACS-II (Amersham) 4-mL-glass vial. The radioactivity of the filtered substance remained on the filter was measured by liquid scintillation counter. The radioactivity value measured by liquid scintillation counter was deemed to be a receptor binding activity, and the binding inhibition was calculated from the total binding (TB), non-specific binding (NSB), and specific binding (SB) of a test compound according to the following equations.
11124	4	Dopamine D2L Receptor Binding Assay	The human D2L receptor binding activity of [3H]-spiperone was determined as follows. A solution containing 50 &#956;L of [3H]-spiperone (the final concentration: 0.5 nmol/L), 2 &#956;L of a solution of a test compound in DMSO or a solvent (DMSO), and 148 &#956;L of human D2L receptor-expressed CHO cell membrane sample was reacted in a 50 mmol/L Tris-HCl (pH=7.6) buffer, and then was let stand at room temperature for 60 minutes. Then, the resultant was added promptly to a glass fiber filter plate (Multiscreen FB, Millipore) coated with 0.3% polyethyleneimine (PEI) and filtered under reduced pressure. The filtered substance on the glass fiber filter was washed with 200 &#956;L of ice-cooled 50 mmol/L Tris-HCl (pH=7.6) twice and repeated to be filtered under reduced pressure, followed by transfer to a vial containing 2 mL of Ecoscint A (National Diagnostics). The radioactivity of the filtered substance remained on the glass fiber filter was measured by liquid scintillation counter. The radioactivity value measured by liquid scintillation counter was deemed to be a receptor binding activity, and the binding inhibition was calculated from the total binding (TB), non-specific binding (NSB), and specific binding (SB) of a test drug according to the following equations.
11125	1	Biochemical Assay	Compound 1 was not initially reported as having the greatest biochemical potency compared to reports for certain other small molecule inhibitors of mIDH-1. Structurally distinct compounds (e.g., AG-120, AG-881, IDH305, IDH889, GSK321, and Bay1436032) and other certain quinolinone-based compounds were initially reported as having greater in vitro potency in biochemical assays measuring activity against certain mIDH-1 isoforms. 
11126	1	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;1 of assay buffer and further incubation for 15m. HTRF detection was achieved using europium crypate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD8O-His/PD-L1-Ig (100 & 10 nM, respectively). Recombinant Proteins: Human PD-1 (25-167) with a C-terminal human Fc domain of immunoglobulin G (Ig) epitope tag [hPD-1 (25-167)-3S-IG] and human PD-L1 (18-239) with a C-terminal His epitope tag [hPD-L1(18-239)-TVMV-His] were expressed in HEK293T cells and purified sequentially by ProteinA affinity chromatography and size exclusion chromatography. Human PD-L2-His and CD8O-His was obtained through commercial sources.
11127	1	JAK2 Kinase Domain Enzymatic Activity Assay	A reaction buffer containing the following components: an enzyme buffer (1×), 5 mM MgCl, 1 mM DTT and 0.01% Brij35 from the kit; a human recombinant JAK2 kinase domain protein (Carna Biosciences, Cat. No. 08-045) diluted to a solution of 0.15 ng/&#956;L with the reaction buffer; a substrate reaction solution containing 2.5 &#956;M ATP and a biotinylated tyrosine kinase substrate diluted to 0.25 &#956;M with the reaction buffer; a detection solution containing 0.1 ng/&#956;L Eu labeled cage antibody (Cisbio, Cat. No. 61T66KLB) and 12.5 nM streptavidin-labeled XL665 (Cisbio, Cat. No. 610SAXLB) in the reaction buffer. The test compound is dissolved to 1 mM in DMSO, followed by a serial 4-fold dilution with DMSO to a minimum concentration of 61 nM. Each concentration is further diluted 40-fold with the reaction buffer. To a 384-well assay plate (Corning, Cat. No. 3674) are added 4 &#956;L of compound solution and 2 &#956;L of JAK2 kinase solution. The mixture is incubated at room temperature for 15 minutes, and then added with 4 &#956;L of the substrate reaction solution. After further incubation at room temperature for 30 minutes, the reaction mixture is added with an equal volume of 10 &#956;L detection solution and allowed to stand at room temperature for 30 minutes. An Envision plate reader (Perkin Elmer) is then used to measure the progress of the reaction at 620 nm and 665 nm. The ratio of absorbances at 665 nm and 620 nm is positively correlated with the degree of substrate phosphorylation, therefore the activity of JAK2 kinase is detected. 
11127	2	TYK2 Kinase Domain Enzymatic Activity Assay	A reaction buffer containing the following components: an enzyme buffer (1×), 5 mM MgCl, 1 mM DTT, 10 nM SEB (Cisbio, Cat. No. 61SEBALB), 0.625 mM EGTA and 0.01% Brij35 from the kit; a human recombinant TYK2 kinase (JH1) domain protein (Carna Biosciences, Cat. No. 08-147) diluted to a solution of 0.25 ng/&#956;L with the reaction buffer; a substrate reaction solution containing 11.25 &#956;M ATP and a biotinylated tyrosine kinase substrate diluted to 0.5 &#956;M with the reaction buffer; a detection solution containing 0.1 ng/&#956;L Eulabeled cage antibody (Cisbio, Cat. No. 61T66KLB) and 25 nM streptavidin-labeled XL665 (Cisbio, Cat. No. 610SAXLB) in the reaction buffer. The test compound is dissolved to 1 mM in DMSO, followed by a serial 4-fold dilution with DMSO to a minimum concentration of 61 nM. Each concentration is further diluted 40-fold with the reaction buffer. To a 384-well assay plate (Corning, Cat. No. 3674) are added 4 &#956;L of compound solution and 2 &#956;L of TYK2 kinase solution. The mixture is incubated at room temperature for 15 minutes, and then added with 4 &#956;L of the substrate reaction solution. After further incubation at room temperature for 40 minutes, the reaction mixture is added with an equal volume of 10 &#956;L detection solution and allowed to stand at room temperature for 30 minutes. An Envision plate reader (Perkin Elmer) is then used to measure the progress of the reaction at 620 nm and 665 nm. The ratio of absorbances at 665 nm and 620 nm is positively correlated with the degree of substrate phosphorylation, therefore the activity of TYK2 kinase is detected.
11127	3	TYK2 Pseudokinase Domain Binding Assay	A binding buffer contains 20 mM Hepes pH 7.5, 150 mM NaCl, 10 mM MgCl, 0.015% Brij35, 2 mM DTT, 0.625 mM EGTA and 100 mM KF. The JH2 domain of TYK2 (amino acids 556-871 within the full-length protein) is expressed and purified by at Tsinghua University protein purification and identification platform. The test compound is dissolved to 0.1 mM in DMSO, followed by a serial 4-fold dilution with DMSO to a minimum concentration of 61 nM. Each concentration is further diluted 40-fold with the reaction buffer. To a 384-well assay plate (Corning, Cat. No. 4512) are added 5 &#956;L of compound solution and 5 &#956;L of TYK2 JH2 domain solution (160 nM). The mixture is incubated at room temperature for 30 minutes, and then added with 10 &#956;L of a mixture of fluorescein-labeled probe (ThermoFisher, Cat. No. PV5593) (20 nM) and GST-Europium (Eu)-labeled antibody (Cisbio, Cat. No. 61GSTKLA) (40 ng/mL). After further incubation at room temperature for 30 minutes, the HTRF signal (ratio of fluorescence intensity at the emission wavelength of 615 nm and 665 nm for the fluorescein acceptor and the Europium donor, respectively) is measured on an Envision plate reader (Perkin Elmer).
11128	1	LRRK2 Enzymatic Assay	LRRKtide substrate (peptide sequence RLGRDKYKTLRQIRQ, derived from human ezrin [amino acids 561-573], moesin [amino acids 539-553] and radixin [amino acids 558-570], obtained from SignalChem, catalogue #L10-58, reconstituted in 20 mM Tris-HCl at pH 7.5 to a final concentration of 1 mg/mL, assay concentration 20 &#956;M) and recombinant human LRRK2 (catalytic domain only [amino acids 970-2527], GST-tagged, expressed in insect cells, obtained from ThermoFisher Scientific, catalogue #PV4874, 0.35 mg/mL, assay concentration 30 nM) were mixed in assay buffer (20 mM Hepes pH 7.5, 10 mM MgCl, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM NaVO, 2 mM DTT, 1% DMSO). Compounds of interest (in DMSO, serial 3-fold dilution from 10 &#956;M to 0.5 nM) or control (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition of [P]-ATP (Specific activity 10 &#956;Ci/&#956;l) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions.
11129	1	Biochemical Assay	The compounds disclosed herein were tested for potency against HDAC6 and selectivity against HDAC1 in a biochemical assay. A biochemical assay was adopted using a luminescent HDAC-Glo I/II assay (Promega) and measured the relative activity of HDAC6 and HDAC1 recombinant proteins. Compounds were first incubated in the presence of HDAC6 or HDAC1 separately, followed by addition of the luminescent substrate. The data was acquired using a plate reader and the biochemical IC50 were calculated from the data accordingly.
11130	1	Pharmacological Assay	The human V1a receptor was cloned by RT-PCR from total human liver RNA. The coding sequence was subcloned in an expression vector after sequencing to confirm the identity of the amplified sequence. To demonstrate the affinity of the compounds from the present invention to the human Via receptor binding studies were performed. Cell membranes were prepared from HEK293 cells transiently transfected with the expression vector and grown in 20 liter fermenters with the following protocol. 50 g of cells are re-suspended in 30 ml freshly prepared ice cold Lysis buffer (511 mM HEPES. 1 mM EDTA, 10 mM MgCl adjusted to pH=7.4+complete cocktail of protease inhibitor (Roche Diagnostics)). Homogenized with Polytron for 1 min and sonicated on ice for 2×2 minutes at 80% intensity (Vibracell sonicator). The preparation is centrifuged 20 min at 500 g at 4° C., the pellet is discarded and the supernatant centrifuged 1 hour at 43&#39;000 g at 4° C. (19&#39;000 rpm). The pellet is re-suspended in 12.5 ml Lysis buffer+12.5 ml Sucrose 20% and homogenized using a Polytron for 1-2 min. The protein concentration is determined by the Bradford method and aliquots are stored at &#8722;80° C. until use. For binding studies 60 mg Yttrium silicate SPA beads (Amersham) are mixed with an aliquot of membrane in binding buffer (50 mM Tris, 120 mM NaCl, 5 mM KCl, 2 mM CaCl, 10 mM MgCl) for 15 minutes with mixing. 50 &#956;l of bead/membrane mixture is then added to each well of a 96 well plate, followed by 54.1 of 4 nM 3H-Vasopressin (American Radiolabeled Chemicals). For total binding measurement 100 &#956;l of binding buffer are added to the respective wells, for non-specific binding 100 &#956;l of 8.4 mM cold vasopressin and for compound testing 100 &#956;l of a serial dilution of each compound in 2% DMSO. The plate is incubated 1 h at room temperature, centrifuged 1 min at 1000 g and counted on a Packard Top-Count. Non-specific binding counts are subtracted from each well and data is normalized to the maximum specific binding set at 100%. To calculate an IC 50 the curve is fitted using a non-linear regression model (XLfit) and the K, is calculated using the Cheng-Prussoff equation.
11131	1	Biochemical Assay	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate. A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl. Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer). Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column1) add 2×rxn buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l. The plate was quickly centrifuged and the reaction was incubated at 30° C. for 30 minutes. Adding 5 &#956;l of ADP-Glo terminated the reaction. The plate was quickly centrifuged and the reaction was incubated at room temperature for 40 minutes. Kinase Detection Reagent was then added and incubated at room temperature for 30 minutes. The relative light unit (RLU) of kinase reaction was determined by luminescent (Luminescence 0.1 s) using a Wallac Victor2 Luminometer (PerkinElmer, Waltham, Mass., USA).
11132	1	Filpr Assay	At the assay day cells were washed 3× with assay puffer, 20 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca6 kit (Cat. R8191 Molecular Devices) loading buffer in HBSS/HEPES was added to the cells and the plates were incubated with lid for 120 minutes at 3775% CO2. 10 &#956;L of compound or controls in HBSS/HEPES buffer/5% DMSO from the intermediate dilution plate were carefully added to the wells. Luminescence (indicating the calcium influx or release) was read on the FLIPR tetra device for 10 minutes to monitor the compound induced effects (e.g. agonism). Finally, 10 &#956;L of the agonist AITC 50 &#956;M dissolved in HBSS/HEPES buffer/0.05% DMSO (final concentration 10 &#956;M) was added to the wells followed by an additional read on the FLIPR tetra device for 10 minutes. The area under the signal curve (AUC) after AITC addition was used for IC50/% inhibition calculations.
11133	1	Binding Inhibition for Dopamine D3 Receptor	Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacalai Tesque), 5 mM KCl (28514-75, Nacalai Tesque) and 2 mM CaCl) (067-31, NAKARAI CHEMICALS, LTD.) Radioligand: (final concentration) 2 nM [H]-Methylspiperone ([H N-methyl-]-Methylspiperone, NET-856, 83.8 Ci/mmol, PerkinElmer)Non-specific ligand: (final concentration) 10 uM Butaclamol [(+)-Butaclamol Hydrochloride, D033, Sigma] SPA beads solution: SPA beads [WGA PVT SPA Scintillation Beads, RPNQ0001 (500 mg), RPNQ0060 (2 g), PerkinElmer] (0.2 mg/well) Incubation time and temperature: 120 min at 25&deg; C.
11133	2	Binding Inhibition for Dopamine D2 Receptor	Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.06HO (20909-55, Nacalai Tesque), 5 mM KCl (28514-75, Nacalai Tesque) and 2 mM CaCl) (067-31, NAKARAI CHEMICALS, LTD.)Radioligand: (final concentration) 1.2 nM [H]-Methylspiperone ([H N-methyl-]-Methylspiperone, NET-856, 83.8 Ci/mmol, PerkinElmer) Non-specific ligand: (final concentration) 10 &#956;M Butaclamol [(+)-Butaclamol Hydrochloride, D033, Sigma] SPA beads solution: SPA beads [WGA PVT SPA Scintillation Beads, RPNQ0001 (500 mg), RPNQ0060 (2 g), PerkinElmer] (0.2 mg/well)Incubation time and temperature: 120 min at 25° C.Kd: 0.272 nM(Preparation of Solutions of Non-Specific Ligand or the Compounds of the Present Invention)Butaclamol or the compounds of the present invention were weighed and DMSO was added to make a 10 mM solution. This solution was diluted to each concentration.(Preparation of Radioligand Solution),[H]-Methylspiperone was weighed and the buffer solution was added to make a 3.6 nM solution.(Preparation of SPA Beads Solution) SPA beads were weighed and stirred in water to make a 50 mg/mL solution. Using this solution, a mixture with the cell membranes was prepared.
11134	1	In Vitro Inhibition Assay	Materials: Enzymes Recombinant human DPPIV (R&D Systems, Cat. No. 1180-SE). Recombinant human DPP8 (Enzo Life Sciences, Cat. No. BML-SE527). Recombinant human DPP9 (R&D Systems, Cat. No. 5419-SE). Recombinant human DPPII (R&D Systems, Cat. No. 3438-SE). Recombinant human FAP (R&D Systems, Cat. No. 3715-SE). Recombinant human PREP (R&D Systems, Cat. No. 4308-SE). Assay Buffers 25 mM Tris, pH 8.0 (DPPIV and DPP9), 50 mM Tris, pH 7.5 (DPP8), 25 mM MES, pH 6.0 (DPPII), 50 mM Tris, 140 mM NaCl, pH 7.5 (FAP), 25 mM Tris, 0.25 M NaCl, pH 7.5 (PREP), Substrates 4000× substrate solution (100 mM Gly-Pro-AMC (VWR, Cat. No. 100042-646) in DMSO, DPPIV, DPP8 and DPP9) 4000× substrate solution (100 mM Lys-Pro-AMC (Bachem, Cat. No. I-1745) in DMSO, DPPII) 100× substrate solution (2.5 mM Z-Gly-Pro-AMC (VWR, Cat. No. I-1145.0050BA) in DMSO, FAP and PREP), General Materials Compound 96-well black clear-bottom plates (Costar, Cat. No. 3603), Instrumentation, Plate shaker, Molecular Devices SpectraMax M2e microplate reader.
11135	1	Pharmacological Activity Assay	Methods: Cells are plated with a density of 5000 cells/well in 384-well poly-D-lysin plates and incubated for 1 day at 37° C., 5% CO2 in DMEM medium, 10% FCS, 1×NEAA, Puromycin (0.5 &#956;g/ml) and G418 (1 mg/ml). Then the medium is changed to a identical medium without FCS and containing Octanoate-BSA (final concentration 100 &#956;M each) and compound in DMSO (final DMSO concentration 0.3%). After incubation for 5 hours acylghrelin in the medium is measured by ELISA. The medium sample is diluted 1:25 in Elisa buffer, a 25 &#956;l aliquot is transferred to a 384-well ELISA plate previously washed 4 times with 100 &#956;L wash buffer, and 25 &#956;l tracer-solution is added. After incubation overnight ( 20 h) at 4° C. temperature the plate is washed 4 times with 100 &#956;l wash-buffer per well. Finally 50 &#956;l Ellman&#39;s reagent is added to each well and the plate is incubated in the dark for 20 minutes. The absorbance is measured at 405 nm in an Envision multilabel reader and the amount of acylated ghrelin is calculated according to a acylated ghrelin standard curve provided in the same plate. Each assay plate contains wells with vehicle controls (1% DMSO) for the measurement of non-inhibited transfer reaction (=100% Ctl) and wells with 10 &#956;M ([Dap3]-Ghrelin) as controls for fully inhibited GOAT enzyme.
11136	1	TREX1 Exonuclease Assay	For human TREX1, the nucleotide sequence of the gene construct was codon optimized for expression in the bacterial host. The sequence was incorporated into the pMAL-c5e vector (NEB) downstream of a solubility-promoting MBP (maltose binding protein) fusion partner. The fusion protein product was expressed in E. coli strain BL21 (DE3) (Millipore) and purified in a series of chromatographic steps. Initial steps were conducted using a dextrin sepharose affinity column followed by a Q-sepharose ion exchange column (both GE Healthcare). After the second column the MBP partner was removed by incubation with enterokinase (NEB). Further purification was carried out with the second application of a Q-sepharose column followed by a Superdex 75 (GE Healthcare) size exclusion column. Finally, a heparin sepharose column (GE Healthcare) was applied to remove contaminating nucleotides. Similar methods were used in the preparation of the murine TREX1 enzyme and are described in Example B set forth below.To evaluate the effect of compounds on TREX1 activity, test compounds were serially diluted (11-point, 3-fold) from 10 mM stock solutions and delivered to 384-well low-volume assay plates in 80 nL DMSO using an acoustic dispenser. Next, 4 &#956;L of human TREX1 (0.5 nM), or murine TREX1 (1 nM), diluted in assay buffer (20 mM Tris pH 7.5, 5 mM MgCl, 100 &#956;g/mL BSA, 0.002% Triton X-100, 2 mM DTT), was added to the assay plate. After incubating for 30 minutes, 4 &#956;L of labeled DNA oligonucleotide (500 nM) in assay buffer was added to initiate TREX1 exonuclease activity. The reaction was allowed to proceed for 45 minutes at room temperature prior to the addition of 4 &#956;L of 150 mM EDTA to halt TREX1 activity. Assay plates were equilibrated for an additional 30 minutes and read on an EnVision Plate Reader (Perkin Elmer) to measure fluorescence emission at 535 nm following excitation at 485 nm. Fluorescence was plotted as a function of log molar compound concentration and fit to a four-parameter dose-response equation to determine compound IC50.
11137	1	Enzymatic Assay for MASP-2	The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50 values were equivalent to Ki values, except in a few cases of tight binding inhibitors. Cases of tight binding or possible slow binding inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed., John Wiley and Sons, Inc., Chapters 5-7.
11137	2	Enzymatic Assay for Thrombin	The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50values were equivalent to Ki values, except in a few cases of tight binding inhibitors. Cases of tight binding or possible slow binding inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed. John Wiley and Sons, Inc., Chapters 5-7.
11138	1	Fluorescence Detection (FLIPR) Assay	The sample to be tested was dissolved in DMSO and diluted with detection buffer solution in 3-fold dilution. A reagent and a positive control were diluted in the same way. The reactions of the agonist, the reagent and the positive control were detected by a device of FLIPRTETRA with a total detection time of 180 s to estimate the ability to activate GPCR (S1P5) of each compound. 
11138	2	Electrophysiological Assay	HEK293 engineering cells stably expressed with hERG potassium channel were used to test the compounds. Patch Clamp Detection: The cells were separated by TrypLE Express before the test. 3×10 3 of cells were spread on a cover plate, cultured in 24-well plate and tested 18 hours later. The signals produced by voltage stimulation of potassium currents in cells were recorded by electrophysiological techniques.
11139	1	Lipoxygenase-15 Assay	Briefly, reactions were carried out in Corning 96 half-well black, flat bottom assay plates and contained final concentrations of 50 &#956;M arachidonic acid (Cayman Chemical) as a substrate, 1:10 (v:v) cholate mix (2% (w:v) sodium cholate (Sigma-Aldrich) and 2% (v:v) DMSO with or without test compounds), 40 &#956;M dihydrorhodamine 123 (Sigma-Aldrich) and 1:200 lipoxygenase-15 enzyme (soybean enzyme from Lipoxygenase Inhibitor Screening Assay Kit Item No. 760700 (Cayman Chemical)) in 100 mM Tris-HCl, pH 7.5. Cholate mix contained 2% (w:v) sodium cholate dissolved in 2% (v:v) DMSO. Cholate mix is used for the positive control wells (100% enzymatic activity). Due to the fact, that test compound stocks were dissolved in 100% DMSO, cholate mix was adjusted (sodium cholate was dissolved in water) and test compound DMSO stocks were further diluted with this solution in order to keep the final DMSO concentration in reaction below 0.2% and equal in all wells. Assay buffers and DMSO were deoxygenated to keep test compounds in the reduced state**. Stock solutions of test compounds were prepared in DMSO and then diluted to final assay concentrations in cholate mix such that final cholate and DMSO concentrations were maintained at 0.2%. Reactions were initiated by the addition of 50 &#956;L of enzyme mix (80 &#956;M dihydrorhodamine 123 and 1:100 lipoxygenase-15 enzyme in 100 mM Tris-HCl, pH 7.5) to wells containing 50 &#956;L substrate and cholate mix in 100 mM Tris-HCl, pH 7.5 and linear rates were assessed by measuring fluorescence, using excitation/emission of 485/535 nm on a Hidex Sense microplate reader every 10 seconds for 5 minutes at room temperature.
11140	1	Radioligand Binding Assay	After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &#956;g protein per well. Saturation isotherms were determined by the addition of various concentrations (0-50 nM) of [3H]-M-MPEP in a total reaction volume of 250 &#956;L for 90 min at rt. At the end of the incubation, membranes were filtered onto a 96-well GF/B filter pre-incubated with 0.1% polyethylenimine, with a Tomtec cell harvester and washed 5 times with 0.5 mL distilled water. Non-specific binding (NSB) was measured in the presence of 0.1 mM MPEP hydrochloride (Tocris bioscience, catalogue number 1212). Radioactivity on the filter was counted (1 min) on a microbeta counter after addition of 50 &#956;L of scintillation fluid. For competition binding experiments, membranes were incubated with [3H]-M-MPEP at a concentration equal to the KD value of the radioligand and 10 concentrations of the inhibitory compound (typically between the ranges of 0.1 mM-3.16 pM). IC50 values were derived from the inhibition curve and the equilibrium dissociation constant (Ki) values were calculated using the Cheng-Prussoff equation.
11141	1	Biological Assay	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
11141	2	Biological Assay	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50value for the test compound was determined.
11141	3	Biological Assay	FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human FXIa (Enzyme Research Laboratories) was incubated at 25° C. with the fluorogenic substrate Z-Gly-Pro-Arg-AFC and 40 &#956;M of the test compound (or alternatively at various concentrations of the test compound in order to determine IC50).
11141	5	Biological Assay	Factor XIIa inhibitory activity in vitro was determined using standard published methods (see e.g. Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Baeriswyl et al., ACS Chem. Biol., 2015, 10 (8) 1861; Bouckaert et al., European Journal of Medicinal Chemistry 110 (2016) 181). Human Factor XIIa (Enzyme Research Laboratories) was incubated at 25 C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
11141	4	Enzymatic Activity Assay	Human serine protease enzymes plasmin, thrombin and trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 minutes. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. The Km for the cleavage of each substrate was determined by standard transformation of the Michaelis-Menten equation. The compound inhibitor assays were performed at substrate Km concentration and activities were calculated as the concentration of inhibitor giving 50% inhibition (IC50) of the uninhibited enzyme activity (100%).
11142	1	Enzyme Activity Inhibition	1xkinase buffer preparation: 40 mM Tris (pH 7.5), 20 mM MgCl2, 0.10% BSA, 1 mM DTT.  Compound preparation: The final detection concentration of the compound was 10 uM, which was configurated to a 100-fold concentration, i.e., 1 mM. In the second well of the 384-well plate, 100 uL of 100-fold compound was added, and 60 uL of 100% DMSO was added to other wells. 30 uL of compound from the second well was taken and added to the third well, and a 3-fold dilution was made in sequence, a total of 10 concentrations were diluted. 50 nL of compound was transferred to the reaction plate with echo. Kinase reaction: Kinase was added to 1xkinase buffer to form a 2xenzyme solution. The final concentration of kinase solution was ALK5:25 nM. The polypeptide TGFbR1 (purchased from Signal Chem, catalog number T36-58) and ATP were added to 1xkinase buffer to form a 2xsubstrate solution. The final concentration of the substrate solution was 0.1 mg/mL peptide TGFbR1, 7 uM ATP. 2.5 uL of 2xenzyme solution was added to the 384-well reaction plate (there was already 50 nL of 100% DMSO dissolved compound), and 1xkinase buffer was added to the negative control well. The plate was incubated at room temperature for 10 minutes. 2.5 uL of 2x substrate solution was added to the 384-well reaction plate. The 384-well plate was covered and incubated at 30 C. for 1 hour. ADP-Glo reagent (purchased from Promege, catalog number v9102) was equilibrated to room temperature. 5 uL of ADP-Glo reagent was transferred to the reaction well of the 384-well plate to stop the reaction. Detection of reaction results: 10 uL of kinase detection reagent was transferred to each reaction well, the plate was shaken for 1 minute and placed at room temperature for 30 minutes. The sample luminescence value was read at Synergy.
11143	1	HTRF-Based EGFR Biochemical Assay	IC50 values were determined at both 1 &#956;M and 1 mM ATP to identify both ATP competitive and non-competitive compounds. Hits were also counter-screened against wild type EGFR to evaluate the mutant selectivity. The HTRF-based screen was carried out using 1 &#956;M ATP, and active compounds were counter-screened at 1 mM ATP and against wild type EGFR to identify those that were potentially non-ATP-competitive and mutant selective. This strategy identified several compounds of distinct chemical classes that were both selective for the L858R/T790M mutant over WT EGFR and relatively insensitive to ATP concentrations, suggesting an allosteric mechanism of action. HTRF-Based EGFR Biochemical Assays. EGFR biochemical assays were carried out using a homogeneous time-resolved fluorescence (HTRF) assay as described previously. The reaction mixtures contained 1 &#956;M biotin-Lck-peptide substrate, wild type or mutant EGFR enzyme in reaction buffer (50 mM HEPES pH 7.1, 10 mM MgCl2, 0.01% BSA. 1 mM TCEP and 0.1 mM Na3VO4 at a final volume of 10 &#956;L. Enzyme concentrations were adjusted to accommodate varying kinase activity and ATP concentrations (0.2-0.4 nM L858R/T790M; or 2-4 nM L858R, or 2-4 nM T790M, or 40 nM WT). All reactions were carried out at room temperature in white ProxiPlate 384-well Plus plates (PerkinElmer) and were quenched with 5 &#956;L of 0.2 M EDTA at 60 min. Five &#956;L per well of the detection reagent containing 2.5 ng PT66K (Cis-bio) and 0.05 &#956;g SAXL (Prozyme) were added, and the plates were then incubated at room temperature for 1 hour and read with an EnVision plate reader.
11144	1	In Vitro DGK Inhibition Assay	The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 &#956;M CaCl2, and 1 mM DTT (assay buffer). The reactions using a detergent/lipid micelle substrate also contained 50 mM octyl B-D-glucopyranoside. The lipid substrate concentrations were 11 mM PS and 1 mM DAG for the detergent/lipid micelle reactions. The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions (5 mM total lipid). The reactions were carried out in 150 &#956;M ATP. The enzyme concentrations for the DGK&#945; and DGK&#950; were 5 nM. The compound inhibition studies were carried out as follows: 25 nL (ADPGLO assay) or 50 nL (LIPGLO assay) droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/lipid substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGK&#945; or DGK&#950; (prepared as described below) in assay buffer) and 2.5 mL of either 4× liposome or 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 &#956;L 2× enzyme/lipid substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 &#956;L 300 uM ATP. The reactions were allowed to proceed for 2 hr (ADPGLO assay) or 1 hr (LIPGLO assay), after which 2 &#956;L Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 &#956;L Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The percent inhibition was calculated from the ATP conversion generated by no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition.
11145	1	Fluorescence Direct Binding Asaay	Determination of the affinities of compounds to protein containing one or more tryptophan is measurable by monitoring the fluorescence emission in direct mode. The measurements, depending on the protein available amounts, were performed either manually in a cuvette on ISS-PCI photon counting spectrofluorometer or automatically in well plates on a fluorescence plate reader device. Fluorescence titrations were performed at 20° C. in the chosen binding assay buffer by using a defined constant protein concentration against ligand concentration variations. Small aliquots of known ligand concentration solubilized in DMSO were added and the fluorescence, excited at 280 nm, was recorded at 340 nm. The fluorescence intensity was corrected for protein dilution and for the filter effect (Birdsall, B., King, R. W., Wheeler, M. R., Lewis, C. A. Jr, Goode, S. R., Dunlap, R. B. & Roberts, G. C. (1983). Anal. Biochem.132, 353-361). The corrected fluorescence intensity was plotted against the ligand concentration and fitted using a four-parameter sigmoidal function from which the equilibrium dissociation constant Kd was computed using the law of mass action assuming a 1:1 protein ligand complex (Eftink, Methods Enzymol. 1997; 278:221-57). The process includes:Optimization of measurement parameters to minimize protein consumption and to minimize the dilution effect and the DMSO content. Titration measurements of the protein against ligand by at least 12 titration steps to obtain an s-curve fit. Repeat the same titration measurements with the ligand alone to enable correction. Check the stability of the protein once by titration against DMSO alone. Determination of the molar extinction coefficients of the ligand at 280 and 340 nm with help of an UV-spectrophotometer. Use Excel template for the correction of the measured raw data. Use GraphPad Prism software for the quadratic binding fit and the KD evaluation.
11146	1	Enzymatic IC50 Assays	FEN1, EXO1 or XPG enzyme was incubated with compound or vehicle (DMSO) and the FAM-labeled DNA oligomer substrate in a microtiter plate. The stop buffer contains EDTA to stop the enzymatic reaction. The plate is read for fluorescence intensity. The high control (DMSO) with high fluorescence intensity represents no inhibition of enzymatic reaction while the low control (10 &#956;M) with low fluorescence intensity represents full inhibition of enzymatic reaction.
11147	1	Binding Assay (BRD4-1)	The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were conducted in 384 well microplates in assay buffer (50 mM HEPES-HCl, pH 7.5, 100 mM NaCl, 1 mg/ml BSA, 0.05% CHAPS, and 0.5% DMSO) with compounds added as DMSO stocks at a single concentration or with 10-point dose response titrations. BET protein (20 nM for BRD4) or assay buffer were delivered to the appropriate wells of the microplate. Test compound (20 nM) was then delivered by acoustic technology via a Labcyte Echo550 liquid handler. The microplate was centrifuged for 5 min and pre-incubated for 30 min at RT with gentle shaking. The ligand (histone H4 peptide (1-21) K5/8/12/16Ac-biotin) was delivered and the microplate was again centrifuged for 5 min and allowed to incubate for 30 min at RT with gentle shaking. Donor beads were then added in the absence of light and the microplate was centrifuged and gently shaken. After 5 min, acceptor beads were added in the absence of light and the microplate was centrifuged and gently shaken in the dark for 60 min. The microplate was read using a Perkin Elmer EnSpire Alpha plate reader (&#955; Ex/&#955; Em=680/520-620 nm). Percent inhibition was calculated relative to positive and negative controls on a per plate basis.
11147	2	Binding Assay (BRD4-2)	The bromodomain binding assays were performed by Reaction Biology Corp., Malvern, Pa., USA (www.reactionbiology.com). The BET binding assays were conducted in 384 well microplates in assay buffer (50 mM HEPES-HCl, pH 7.5, 100 mM NaCl, 1 mg/ml BSA, 0.05% CHAPS, and 0.5% DMSO) with compounds added as DMSO stocks at a single concentration or with 10-point dose response titrations. BET protein (130 nM for BRD4) or assay buffer were delivered to the appropriate wells of the microplate. Test compound (70 nM) was then delivered by acoustic technology via a Labcyte Echo550 liquid handler. The microplate was centrifuged for 5 min and pre-incubated for 30 min at RT with gentle shaking. The ligand (histone H4 peptide (1-21) K5/8/12/16Ac-biotin) was delivered and the microplate was again centrifuged for 5 min and allowed to incubate for 30 min at RT with gentle shaking. Donor beads were then added in the absence of light and the microplate was centrifuged and gently shaken. After 5 min, acceptor beads were added in the absence of light and the microplate was centrifuged and gently shaken in the dark for 60 min. The microplate was read using a Perkin Elmer EnSpire Alpha plate reader (&#955; Ex/&#955; Em=680/520-620 nm). Percent inhibition was calculated relative to positive and negative controls on a per plate basis.
11148	1	Kinase Inhibition Assay	In this example, compounds of the disclosure were evaluated using a biochemical assay using the ADP-Glo technology. ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate. A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer).Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column 1) add 2× r×n buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l.
11149	1	Bcl-2 Protein Family Binding Assay	Binding to Bcl-2 proteins Bcl-2, and Bcl-XL was assessed using the Bcl2scan platform: T7 phage strains displaying BCL2 proteins were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coliwere grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (5,000×g) and filtered (0.2 &#956;m) to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated BIM peptide ligand for 30 minutes at room temperature to generate affinity resins for BCL2 assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions were assembled by combining BCL2 proteins, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 100× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with one DMSO control point. All compounds for Kd measurements were distributed by acoustic transfer in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (lx PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (lx PBS, 0.05% Tween 20, 2 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes.
11150	1	Enzyme Inhibition Assay	E. coli gyrase supercoiling and its inhibition was assayed using a kit procured from Inpiralis (K0001) and the protocol (PMID: 2172086) was adapted with necessary modifications. The compounds to be tested weree incubated for 10 minutes with 2.5 nM of E. coli DNA gyrase in a 30 &#956;l reaction volume and 3.2% DMSO. The reactions were then started with the addition of 60 ng relaxed pBR322 plasmid DNA and continued for 45 min at 37° C. The reaction mixture contained 35 mM Tris.HCl (pH 7.5), 24 mM KCl, 1.8 mM spermidine, 4 mM MgCl2, 2 mM DTT, 6.5% (w/v) glycerol, 0.1 mg/mL BSA, and 1 mM ATP. The reaction was then stopped by addition of 0.75 L of Proteinase K (20 mg/mL) and 3 &#956;L of 2% SDS and further incubated at 37° C. for 30 min. This was followed by the addition of 4 &#956;L of STEB (40% (w/v) sucrose, 100 mM Tris-HCl pH8, 1 mM EDTA, 0.5 mg/ml Bromophenol Blue), and the supercoiled/relaxed forms of plasmid DNA were separated by agarose gel electrophoresis. The 1% agarose gels were run for 3 h at 4V/cm in 1×TAE (40 mM Tris, 20 mM Acetic acid, 1 mM EDTA). To visualize the DNA the gels were stained for 10 min with 0.7 g/mL ethidium bromide and excess dye was removed by several washes with water. IC50 were determined by quantifying the supercoiled and relaxed DNA in each of the reactions from a gel image by a densitometric method using the Quantity One Software (Bio-rad).
11150	2	hERG Inhibition Assay	Compounds were solubilised to 100 mM in DMSO before dilution in HBPS to 300 &#956;M. 6-Point concentration-response curves were generated using 3.16-fold serial dilutions from the top test concentration. Procedure: Electrophysiological recordings were made from a Chinese Hamster Ovary cell line stably expressing the full-length hERG potassium channel. Single cell ionic currents were measured in whole-cell patch clamp configuration at room temperature (21-23° C.) using the QPatch HTX platform (Sophion). Intracellular solution contained (mM): 120 KF, 20 KCl, 10 EGTA, 10 HEPES and was buffered to pH 7.3. The extracellular solution (HEPES-buffered physiological saline, HBPS) contained (mM): 145 NaCl, 4 KCl, 2 CaCl2, 1 MgCl2, 10 HEPES, 10 glucose, buffered to pH7.4. Cells were clamped at a holding potential of &#8722;80 mV. Cells were stepped to +20 mV for 2 s then &#8722;40 mV for 3s before returning to the holding potential. This sweep was repeated 10 times at 10 s intervals. hERG currents were measured from the tail step and referenced to the holding current.
11151	1	Inhibitory Activity Assay	IDO1 (His-tag) enzyme(BPS Bioscience), L-tryptophan (Sigma), methylene blue (Sigma), Catalase originated from the liver of cattle (Sigma), L-ascorbic acid (Sigma), glycerol (Sigma), potassium dihydrogen phosphate solution (Sigma), Tween 20 (Sigma), automatic sampling platformLiquid handler (Bravo & Echo), microplate ReaderSpectraMax M5e (Molecular Devices). Test Method of Compounds: The Compounds are Determined by Absorbance Test Method:The tested compounds are dissolved in DMSO to prepare a high concentration of storage solution. The stock solution of reference compound was diluted with DMSO to prepare a 100× solution. In the first column of the working plate, 8 &#956;L above tested compounds and 8 &#956;L 100× reference compound were respectively added as the highest concentration, and then the highest concentrations were subjected to three times dilution to obtain 11 concentrations and prepare 100× solution. 0.5 &#956;L solution was transferred from the above plate to the detection plate. To each well was added 0.5 &#956;L 100× compound solution. For HPE and ZPE control wells, 0.5 &#956;L 100% DMSO was added. 25 &#956;L 2×IDO1 (His-tag) enzyme solution (containing L-ascorbic acid, methylene blue, and catalase) was added to each well. 25 &#956;L reaction solution without IDO1 (His-tag) enzyme was added into HPE control well. The test plate was centrifugated at 1000 rpm for 1 minute to mix well. Then, the test plate was incubated at room temperature for 30 minutes. 25 &#956;L above 2× substrate (L-tryptophan) solution was added to each well. The test plate was centrifugated at 1000 rpm for 1 minute to mix well. The detection plate was placed on ELISA (SpectraMax M5e), the temperature was set at 25° C., and the absorbance (OD value) was measured at 320 nm every 10 minutes till 60 minutes.</p><p id="p-0313" num="0311">Calculating the increase ratio of absorbance: the slope of the absorbance increase curve from 10 min to 60 min is derived from SpectralMax M5e. The inhibition coefficient of compound was calculated: the inhibition ratio of compound=(the absorbance increase ratio of ZPE control well&#8722;the absorbance increase ratio of compound well)/(the absorbance increase ratio of ZPE control well&#8722;the absorbance increase ratio of HPE control well)×100.
11152	1	ENPP1 Assay	Table 1: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 1.5 mM Thymidine 5&#8242;-monophosphate disodium salt hydrate (Sigma: T4510) Assay Cone.: 150 &#956;M Enzyme: 1 ng/&#956;L Recombinant Human ENPP-1 Protein (purified in-house) Assay Cone.: 5 ng/well DMSO 96-well clear assay plates Protocol: A ten-point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 75 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO Dilutions+10 &#956;L Substrate+5 &#956;L Enzyme (5 ng). Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using the Envision Plate Reader.
11152	2	ENPP2 Assay	Table 3: Assay Buffer: 50 mM Tris, 10 mM CaCl2, 5 mM MgCl2, 0.02% Brij-35 (v/v), pH 8.5Substrate: 20 mM Bis(p-Nitrophenyl) Phosphate Sodium Salt (BPNPP) (Sigma, Catalog #N3002) Enzyme: 0.01 ng/&#956;L Recombinant Human ENPP-2/Autotaxin (rhENPP-2) (R&D Catalog #5255-EN) DMSO (Selleck S8218)>96-well clear assay plates Protocol: An eight point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M . . . 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 81 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO+5 &#956;L Substrate+5 &#956;L Enzyme (0.05 ng). Both the enzyme and substrate were added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 10 minutes. The reaction was quantified by measuring absorbance at 400 nm using the Envision. PF8380 was used as a positive control for the assay.
11153	1	Biochemical Assay	Compounds were prepared by initially diluting to 1 mM with DMSO. 35 &#956;L of reference compound solution, 35 &#956;L of test compound solution, and 35 &#956;L HPE were successively added to the source plate (384-well assay plate, Labcyte). The plates were centrifuged at 2500 rpm for 1 minute and sealed in foil. POD was used to perform a 3.162 fold serial dilution and 100 nL of reference compound solution, test compound solution, HPE and ZPE were transferred to assay plates. The assay plate was centrifuged at 2500 rpm for 1 minute, and sealed with foil. To perform the enzyme reaction, 5 &#956;L of LRRKtide substrate and kinase mixture in assay buffer was added to all wells of the assay plate. The plate was centrifuged to concentrate the mixture at the bottom of the wells. The assay plate was incubated at 23° C. for 20 minutes. Following incubation, 5 &#956;L of 2×ATP in assay buffer was added to each well, and plates were centrifuged to concentrate the mixture at the bottom of the wells. The plate was incubated at 23° C. for 60 minutes. To perform the detection of the reaction, EDTA completely mixed in TR-FRET dilution buffer was added to antibody reagent. 10 &#956;L of detection reagent was added to all wells of each well of the assay plate and the plate was centrifuged to concentrate the mixture at the bottom of the wells. The plate was then incubated at 23° C. for 60 minutes. Plates were read on Perkin Elmer Envision 2104 instrument in TR-FRET mode using a 340 nm excitation filter, 520 nm fluorescence emission filter, and 490 or 495 nm terbium emission filter.
11154	1	In Vitro JAK Kinase Assay	The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
11155	1	High-Throughput  Assay	A high-throughput Beclin 1/Bcl-2 AlphaLISA assay to directly measure the in vitro interaction between Beclin 1 and Bcl-2. AlphaLISA is a bead-based proximity assay that is capable of measuring protein-protein interaction in homogeneous solution.
11156	1	CDK9 Biochemical Assay	To each well of a 96-well plate was added 5× kinase assay buffer with 10 mM DTT (6 &#956;L), 500 &#956;M ATP (1 &#956;L), 5×CDK substrate (10 &#956;L), and water (8 &#956;L). 5 &#956;L of compound were added to the test and positive control groups, while 5 &#956;L of solvent was added to the blank groups. 100 ng of CDK9/CyclinT in 20 &#956;L water was added to the test and positive control groups, while 20 &#956;L of 1× kinase assay buffer was added to the blank groups. The reaction mixtures were incubated at 30° C. for 45 minutes, and 50 &#956;L of Kinase-Glo Max was added to each well and the plates were shielded from light and incubated for 15 minutes at room temperature. Luminescence was measured on a microplate reader and IC50values were calculated using Prism 9 software.
11157	1	AlphaLISA Enzyme Inhibitory Assay	General Procedure for PRMT5/MEP50 AlphaLISA Enzyme Inhibitory Assays: Assays were performed in the buffer consisting of 50 mM Tris, pH 8.5, 5 mM MgCl2</sub>, 50 mM NaCl with 0.01% Tween20 and 1 mM DTT added right before the assay. 2.5 &#956;L of compound solution in the assay buffer with 4% DMSO and 5 &#956;L of PRMT5/MRP50 complex/SAM mixture solution in the assay buffer which was pre-incubated for 30 minutes were added into a white low volume 384 well microtiter plate. This mixture solution was incubated for 15 minutes with gentle shaking at room temperature. Methyl transfer reaction was initiated by adding 2.5 &#956;L of Biotin-H4 (1-21) peptide substrate solution in the assay buffer. Final concentrations of PRMT5/MEP50, SAM, Biotin-H4 peptide substrate, and DMSO were 25 nM, 10 &#956;M, 30 nM, and 1%, respectively. The reaction was allowed to perform for 120 minutes in dark with gentle shaking at room temperature after which 5 &#956;L of Anti-H4R3-Me AlphaLISA acceptor beads in detection buffer from the manufacturer was added into the reaction mixture followed by incubation for 60 minutes. 10 &#956;L of Streptavidin labeled AlphaLISA donor beads in detection buffer was added into the mixture followed by 30 minute incubation. Final acceptor and donor beads concentrations were 10 &#956;g/mL. Plates were read on an Envision multimode plate reader from PerkinElmer (Waltham Mass., USA) with an excitation wavelength of 680 nm and emission wavelength of 615 nm. IC50 values of inhibitors were obtained by fitting the fluorescence intensity vs inhibitor concentrations in a sigmoidal dose-response curve (variable slopes, four parameters) using Prism 7.
11158	1	Kinase Activity Assay	CSF1R: The specific operation is as follows: Set the concentration gradient of the test compound and dilute the test compound to the working concentration with DMSO. In a 384-well plate, add 10 nL of the test compound to each well with the Echo 550 sample loading device. The dilution buffer of CSF1R is IX Enzymatic buffer containing 5 mM MgCl2, 1 mM MnCl2, 1 mM DTT, 12.5 nM SEB. Use this buffer to adjust the concentration of CSF1R to 0.02 ng/ul. Add 5 &#956;L of buffer containing CSF1R to the 384-well plate after centrifugation at 1000 g for 30 seconds and incubate at room temperature for 10 minutes. Add 5 &#956;L of buffer containing TK-substrate-biotin (2 &#956;M) and ATP (8 &#956;M) (the formula is the same as above) After centrifugation at 1000 g for 30 seconds, incubate at room temperature for 40 minutes, then add 10 &#956;L of stop solution (containing 5 &#956;L of 250 nM Sa-XL665 and 5 &#956;L of TK-antibody-Cryptate), incubate for 60 minutes and use Envision 2104 plate reader to detect at 620 Fluorescence signal of nm (Cryptaet) and 665 nm (XL665), get the ratio (665/620 nm).
11158	2	Kinase Activity Assay	c-Kit, PDGFR&#945;, PDGFR&#946;, FLT-3:Add 5 &#956;L of compound (10% DMSO) at 5 times the final concentration of the reaction to a 384-well plate. Add 10 &#956;L of 2.5×enzyme solution and incubate for 10 minutes at room temperature, then add 10 &#956;L of 2.5×substrate (ATP and peptide substrate, P2 or P22). After incubating at 28° C. for 60 minutes, add 25 &#956;L stop solution to stop the reaction. Read conversion rate data on Caliper EZ Reader II (Caliper Life Sciences). Convert the conversion rate into inhibition rate data (% inhibition rate=(max&#8722;sample conversion rate)/(max&#8722;min)×100). Where max refers to the conversion rate of the DMSO control, and min refers to the conversion rate of the control without enzyme activity. Draw a curve with compound concentration and inhibition rate on the abscissa and ordinate, use XLFit excel add-in version 4.3.1 software to fit the curve and calculate IC50.
11159	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).
11160	1	Biochemical (FP) Assay	Assays based on fluorescent polarization (FP) have been widely utilized in drug discovery due to the homogenous format, robust performance and lack of interference seen in other assays. To characterize our compounds, we utilized an assay measuring the displacement of a commercially available fluorescently labeled PARP 1/2 inhibitor (PARPi-FL, Tocris Biosciences, #6461) as exemplified in assays performed in WO2014/064149 and WO2021/013735A1. The assay was performed utilizing the following method: Compounds were dissolved in DMSO an Echo550 liquid handler was utilized to make serial dilations in the desired concentration range in Optiplate-384F plates. 100% DMSO was used for the high (with protein) and low (without protein) control samples. 20 nL of compound or DMSO alone was added to individual assay plate wells. PARP1 and PARP2 protein were expressed, purified and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCI2, 150 mM NaCl to a final concentration of 20 nM. The PARPi-FL was then added at a final concentration of 3 nM. The assay plate is centrifuged at 1000 rpm for 1 min and incubated for 4 h at room temperature.
11161	1	Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.25 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567, 100 &#956;M final) was added to the reaction and the conversion of DiFMUP to 6,8-difluoro-7-hydroxyl-4-methyl coumarin (DiFMU) was monitored continuously for 10 minutes with excitation at 355 nm and emission at 460 nm using a microplate reader (PolarStar, BMG).
11162	1	TAM Enzymatic Assay	The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were transferred from compound plates to white 384-well assay plates (Greiner LLIMITRAC plates). The final concentration of DMSO was 1.25%. Enzyme solutions of 5.1 nM phosphor-Axl, or 0.0625 nM c-Mer (Carna Biosciences, 08-108), or 0.366 nM Tyro3 (Life Technologies, PR7480A) were prepared in assay buffer. A 1 mM stock solution of peptide substrate Biotin-EQEDEPEGDYFEWLE-amide SEQ ID NO: 1 (Quality Controlled Biochemicals, MA) dissolved in DMSO was diluted to 1 uM in assay buffer containing 2000 uM ATP. 4 ul enzyme solution (or assay buffer for the enzyme blank) was added to the appropriate wells in each plate, and then 4 ul/well substrate solution was added to initiate the reaction. The plate was protected from light and incubated at room temperature for 60 min. The reaction was stopped by adding 4 ul detection solution containing 50 mM Tris-HCl, pH7.8, 150 mM NaCl, 0.05% BSA, 45 mM EDTA, 180 nM SA-APC (Perkin Elmer, CR130-100) and 3 nM Eu-W1024 anti-phosphotyrosine PY20 (Perkin Elmer, AD0067). The plate was incubated for 1 h at room temperature, and HTRF (homogenous time resolved fluorescence) signal was measured on a PHERAstar FS plate reader (BMG labtech). Percentage of inhibition was calculated for each concentration and IC50 value was generated from curve fitting with GraphPad Prism software.
11163	1	Bioactivity Assay	Preparation and Treatment. Stock Solution Preparation. A 10 mM DMSO stock solution was formulated for each compound. A 30 mM DMSO stock solution was formulated for positive control HA130. Preservation: The DMSO stock solutions were stored at room temperature in a desiccator for a short period of time or at &#8722;20° C. for a long period of time. Preparation All compounds were serially 3-fold diluted in DMSO from 10 &#956;M to the 10th concentration.A 1000× positive control (10 mM, HA130) and a 1000× negative control (100% DMSO) were prepared. The plates were shaken for 5 min. Preparation of 1× Reaction Buffer:>5× reaction buffer and cold water were mixed well in a volume ratio of 1:4. Preparation of 20 U/mL Choline Oxidase Stock Solution:1 tube of choline oxide in a kit was dissolved in 1× reaction buffer. The aliquots were frozen at &#8722;20° C. Preparation of 200 U/mL Horseradish Peroxidase (HRP) Stock Solution:1 tube of HRP in a kit was dissolved in 1 mL of 1× reaction buffer. The aliquots were frozen at &#8722;20° C. Preparation of 20 mM Amplex Red Reagent (for Detection) Stock Solution Amplex Red reagent and DMSO were equilibrated at room temperature. 1 tube of Amplex Red reagent in a kit was dissolved in 200 &#956;L of DMSO.Detection: a) 2×ATX (2 ng/L), 2×HRP (2 U/L), 2× choline oxidase (0.2 U/mL) were added to 1× reaction buffer. b) 20 &#956;L of the reaction mixture was added to the plate (PE, 6007270) (refer to step a). c) 40 nL of diluent was added to the plate using Echo (refer to Preparation ). d) 2×LPC (16:0) (60 mM) and 2× Amplex Red (400 M) were prepared using 1× reaction buffer. e) 20 &#956;L of the mixture was added to the plate (refer to step d). f) The plate was shaken for 30 s and allowed to stand at room temperature for 30 min. g) The plate was examined using Envision, and the procedure was as follows: Excitation at 530 nm; and Emission at 590 nm.
11164	1	FLIPR Assay	1. Culture the cells in cell culture medium (DMEM containing 10% FBS 1× penicillin-streptomycin 300 &#956;g/ml G418 and 100 &#956;g/ml hygromycin B) at 37° C., 5% (v/v) CO2. One day before the assays, detach the cell using TrypLE Express and count cells using cell counter. Only cells with >85% viability are used for the assay. 3. Seed 20000 cells/well in 30 &#956;l/well culture medium to a 384-well cell plate and incubate the cells overnight at 37° C., 5% (v/v) CO2. 4. On the assay day, prepare 2× dye solution following the manual of the FLIPR Calcium 6 Assay Kit: i. Dilute the dye with assay buffer (20 mM HEPES in 1×HBSS, PH7.4); ii. Add probenecid to the final concentration of 5 mM; iii. Vortex vigorously for 1-2 minutes. 5. Medium from cell plate by flicking the cell plate on towel papers. 6. Add 10 &#956;l of assay buffer and 10 &#956;l of 2× dye solution to each well of the cell plate. 7. Put the cell plate on plate shaker, agitate the plate at 600 rpm for 2 minutes. Incubate the plate at 37° C. for 2 hours followed by additional 15-minute incubation at 25° C. 8. Prepare 3× compound in assay buffer: a. Dilute reference compounds to required concentration with DMSO. Add the compounds to a 384-well compound plate; b. Perform serial dilutions; c. Add 10 mM test compounds to the compound plate, perform 3-fold serial dilutions. d. Transfer 60 nl/well of compounds from source plate to a 384-well compound plate (Corning, 3657) by using an Echo; e. Add 20 &#956;l/well assay buffer to the compound plate; f. Mix the plate-on-plate shaker for 2 mins; 9. Put the cell plate, compound plate and tips into FLIPR, transfer 10 &#956;l of 3× compound to the cell plate per well with FLIPR. I.d Data Analysis i. The normalized fluorescence reading (RFU) is calculated as shown follow, while Fmax and Fmin stand for maximum and minimum of calcium signal during defined time window: RFU=Fmax&#8722;Fmin
11165	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, Mass.).
11166	1	SHP2 Allosteric Inhibition Assay	Objective: To demonstrate the inhibition of SHP2 activity with Compounds A, B, and C. Without wishing to be bound by theory, SHP is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format. The phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, non-binding surface (Corning, Cat #3650) using a final reaction volume of 100 &#956;L and the following assay buffer conditions: 50 mM HEPES, pH 7.2, 100 mM NaCl, 0.5 mM EDTA, 0.05% P-20, 1 mM DTT. The inhibition of SHP2 by Compound A, Compound B, and Compound C was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2 N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO: 4) or Activating Peptide 2 (sequence: H2N-LN(pY)AQLWHA(dPEG8)LTI(pY)ATIRRF-amide) (SEQ ID NO: 5). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized IC50regression curve fitting with control based normalization.
11167	1	Fluorescence Polarization Anisotropy Competition Assay	Fluorescence Polarization Anisotropy Competition Assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-one, Monroe, N.C., USA). The assay was run using either a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) or a fluorescein isothiocyanate-labeled BH3 peptide derived from Bim (FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2)that were purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification. 10 nM FITC-Bak peptide and 15 nM recombinant Mcl-1 (residues 172-327) were added to assay buffer (3 mM dithiothreitol, 50 mM NaCl, 20 mM Tris, pH 7.5). The Bim based assay was run with 1 nM FITC-Bim peptide and 1.5 nM recombinant Mcl-1 (residues 172-327) added to assay buffer (20 mM TRIS pH 7.5, 50 mM NaCl, 3 mM DTT, 0.01% CHAPS). For selectivity assays, 40 nM Bcl-2 (residues 1-207 A96T,G110R, &#916;35-91, replaced with Bcl-xL35-50) or 4 nM Bcl-xL (residues 1-209, loop 45-86 deleted) were incubated with 10 nM FITC-Bak in assay buffer. Compounds are diluted in DMSO in a 10-point, 3-fold serial dilution scheme. For the FITC-BAK assay 2.5 uL compound is added to 47.5 &#956;L of assay buffer containing FITC-Bak and protein, for a final DMSO concentration of 5% and a top concentration of 20 &#956;M. A FITC-Bak peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. For the FITC-Bim assay, compound is added to 40 uL of assay buffer containing protein, 15 minutes prior to addition of 10 &#956;L of the FITC-Bim peptide, for a final DMSO concentration of 0.165% and a top concentration of 200 nM. A FITC-Bim peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. The plate was mixed and incubated for 90 minutes at room temperature.
11167	2	TR-FRET Binding Assay	Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from GenScript (Piscataway, N.J.) at >95% purity and used without further purification, 300 nM FITC-Bak peptide, 1 nM recombinant Maltose Binding Protein (MBP) tagged Mcl-1 (residues 172-327) and 1 nM terbium conjugated-MBP antibody were added to assay buffer (4.5 mM Monobasic potassium phosphate, 15.5 mM Dibasic potassium phosphate, 1 mM Sodium EDTA, 50 mM NaCl, 1 mM DTT, 0.05% Pluronic F-68, pH 7.5). Compounds are diluted in DMSO in a 16-point, semilog serial dilution scheme. For the BAK FITC TR-FRET assay 50 nL compound is added to 20 &#956;L of assay buffer containing Bak-FITC. MBP tagged Mcl-1 protein and antibody, for a final DMSO concentration of 0.25% and a top concentration of 10 &#956;M. A FITC-Bak peptide alone (100% inhibition) and peptide plus protein (0% inhibition) control is included on each assay plate. The plate was mixed and incubated for 3 hours at room temperature. TR-FRET signal (Delta F) is measured on a Biotek Cytation 3 multimode plate reader equipped with a filter cube containing an Ex 340/30 Em 620/10 nm filter and an Ex 340/30 Em 520 filter.
11168	1	Alphascreen Assay	Binding assays were conducted in a low volume white 384-well polystyrene plate in a final volume of 20 &#956;L. Compounds to be analyzed were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assay was carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer (final concentration 0.67 and 0.20 nM respectively) and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with compounds for 40 minutes. The incubation was followed by the addition of 10 &#956;L of assay buffer supplemented with Alphascreen Ni chelate donor beads (PerkinElmer AS101D) and Protein A Acceptor beads (PerkinElmer 6760137) at final concentration 2.5 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 120 minutes before reading on a PHERAstar FS plate reader (BMG Labtech). IC50determination was performed by fitting the curve of percent control activity versus the log of the compound concentration using the GraphPad Prism 5.0 software.
11169	1	In Vitro Activity Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition. Standard conditions for this assay combine 300 nM [Glycerol-1,3-3H]-oleoyl glycerol with human MGL from HeLa cells and test compounds for one hour, after which the reaction is filtered through activated carbon and tritium is measured in the flow through. The test compound concentration in screening mode is 10 uM, while the highest compound concentration in IC50 assays is determined empirically.
11170	1	Kinase Biological Assay	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. Binding constants (Kds) were calculated with a standard dose-response curve using the Hill equation: Response=Background+(Signal&#8722;Background)/[1+(KdHill Slope/DoseHill Slope)]
11172	1	Assays for Measuring Biological Activity	Activity of the compounds of this application may be evaluated using the following assays for TC-PTP-inhibiting activity. Compounds of Formula I will have activities of <10 &#956;M in this assay, and preferably, activity of <1 &#956;M. 1) Enzyme Assay for TC-PTP. Assay buffer: 50 mM Bis-Tris (pH=6.3), 2 mM EDTA,5 mM N,N&#8242;-dimethyl-N,N&#8242;-bis(mercaptoacetyl)hydrazine (DMH), Substrate: 10 mM fluorescein diphosphate (FDP) store at &#8722;20° C. (also can use 10 mM DiFMUP), Enzyme dilution buffer: 50 mM Bis-Tris (pH=6.3), >2 mM EDTA, >5 mM DMH, >20% (v/v) glycerol, >0.01% Triton X-100. The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 &#956;l contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 mM N,N&#8242;-dimethyl N,N&#8242;bis(mercaptoacetyl)hydrazine (DMH) and 10 &#956;M fluorescein diphosphare (FDP) or 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP). 10 &#956;l of 10 concentrations (serial dilution) of the test compound (inhibitor) dissolved in DMSO or DMSO alone for control was added to each well and the plate was mixed for 2 min. The reaction was initiated by adding 20 &#956;l of diluted TC-PTP (50 nM for FDP, 0.5 nM for DiFMUP in 50 mM Bis/Tris (pH=6.3), 2 mM EDTA, 5 mM DMH, 20% glycerol and 0.01% Triton X-100. The phosphatase activity was followed by monitoring the appearance of the fluorescent product fluorescein monophosphate (FMP) or 6,8-difluoro-7-hydroxyl-4-coumarin (DiFMU) continuously for 15-30 min, using the Spectromax Gemini fluorescent plate reader (Molecular probes) with excitation of 440 nm and emission at 530 nm (cutoff filter at 525 nm) for FDP and excitation at 360 nm and emission at 450 nm (cutoff filter at 435 nm) for DiFMUP. All the assays were done at least in duplicate. The initial rate of FMP or DiFMU formation is plotted against the concentration of inhibitor and the data was fitted to 4-parameter equation and the inflection point of the fit is the IC50.
11173	1	STING SPA Binding Assay	The assay was run in 1536-well plates in a total volume of 8 &#956;L per well by adding 8 nM [3H]-2&#8242;3&#8242;-cGAMP and 40 nM biotin-STING protein in assay buffer [25 mM HEPES (Corning 25-060-C1) pH 7.5, 150 mM NaCl (Sigma S5150), 0.5 mg/mL BSA (Gibco 15260-037), 0.001% Tween-20 (Sigma P7949), molecular grade water (Corning 46-000-CM)]. Test compounds (80 nL) were added with an acoustic dispenser (EDC Biosystems) in 100% DMSO for a final assay concentration of 1% DMSO. Plates were centrifuged for 1 min and incubated for 60 min at room temperature. Finally, (2 &#956;L) polystyrene streptavidin SPA beads (PerkinElmer RPNQ0306) were added and plates were sealed and centrifuged for 1 min at room temperature. Plates were dark adapted for 2 h and read on a ViewLux (Perkin Elmer) for 12 min per plate. A saturation binding curve for [3<H]-2&#8242;3&#8242;cGAMP showed a KD of 3.6±0.3 nM for binding to STING, comparable to reported values for the natural ligand (Zhang et al., Cyclic GMP-AMP containing mixed phosphodiester linkages is an endogenous high-affinity ligand for STING (Molecular Cell 2013 51(2):10.1016/j.molcel.2013.05.022.).
11174	1	Kinase Assay	For most assays, kinase-tagged T7 phage strains were prepared in an E. colihost derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
11175	1	RET Enzyme Assay	The potency of compounds inhibiting several different RET kinase forms (Wild Type, V804M, M918T, G810R, & G810S) were determined using CisBio&#39;s HTRF Kinease-TK assay technology. The kinases were incubated with 250 nM TK-substrate biotin (CisBio, part of cat #62TK0PEC) at Km ATP along with test compounds in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using DMSO only samples (no compound present), and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
11176	1	SPR Assay to Determine Binding Affinity to FKBP12	Biotinylated avi-FKBP12 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization level of 1000 RU, 2 &#956;g/ml biotinylated avi-FKBP12 were injected for 100 sec at a flow rate of 10 &#956;l/min. Rapalogs were diluted in DMSO to 100× working concentration. Each Rapalog was 100-fold diluted in 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20 and a serial dilution prepared (9 concentrations, 3-fold dilutions, 0.08-500 nM). Rapamycin was used as reference sample (9 concentrations, 3-fold dilutions, 0.02-100 nM). The compound dilutions were then injected at 100 uL/min for 120 seconds contact time in sequence with increasing concentrations. Dissociation was monitored for 3600 seconds. 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20, 1% DMSO was used as running buffer. The single-cycle kinetics data were fit to a 1:1 binding model to measure the association rate ka (1/Ms), the dissociation rate kd (1/s) and the affinity Kd (M).
11176	2	SPR Assay to Determine Binding Affinity to FKBP51	Biotinylated avi-FKBP51 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization level of 2000 RU, 3 &#956;g/ml biotinylated avi-FKBP51 were injected for 360 sec at a flow rate of 10 &#956;l/min. Rapalogs were diluted in DMSO to 100× working concentration. Each Rapalog was 100-fold diluted in 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20 and a serial dilution prepared (8 concentrations, 3-fold dilutions, 0.5-1000 nM). Rapamycin was used as reference sample (8 concentrations, 3-fold dilutions, 0.5-1000 nM). The compound dilutions were then injected at 100 uL/min for 120 seconds contact time and with 3600 seconds dissociation time with increasing concentrations. 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20, 1% DMSO was used as running buffer. Multi-cycle kinetics data were fit to a 1:1 binding model to measure the association rate ka (1/Ms), the dissociation rate kd (1/s) and the affinity Kd (M).
11176	3	SPR Assay to Characterize Ternary Complex Formation with FKBP12	Biotinylated avi-FKBP12 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization level of 100 RU, 0.3 g/ml biotinylated avi-FKBP12 were injected for 80 sec at a flow rate of 10 l/min. Serial dilution of FRB was prepared (12 concentrations, 3-fold dilutions, 0.00011-20 M) and supplemented with 100 nM of rapalog. A-B-A injection mode was used to ensure saturation immobilized FKBP12 with respective rapalog. 100 nM solution of the respective rapalog was injected before FRB injection for 120 sec and during dissociation for 420 sec. The FRB dilutions were then injected 120 seconds contact time with increasing concentrations. Rapamycin was used as reference sample. 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20, 1% DMSO was used as running buffer at a flow rate of 30 l/min. The multi-cycle kinetics data were fit to a 1:1 binding model to measure the association rate ka (1/Ms), the dissociation rate kd (1/s) and the affinity Kd (M). In case of fast association and dissociation, steady state affinity analysis following the law of mass action was used to determine the affinity Kd (M).
11176	4	SPR Assay to Characterize Ternary Complex Formation with FKBP51	Biotinylated avi-FKBP51 was immobilized on a streptavidin chip (Cytiva Series S SA) using a Biacore 8K or 8 k+ (Cytiva). To achieve an immobilization level of 200 RU, 0.6 g/ml biotinylated avi-FKBP51 were injected for 150 sec at a flow rate of 10 l/min. Serial dilution of FRB was prepared (12 concentrations, 3-fold dilutions, 0.00011-20 M) and supplemented with 100 nM of rapalog. A-B-A injection mode was used to ensure saturation immobilized FKBP12 with respective rapalog. 100 nM solution of the respective rapalog was injected before FRB injection for 120 sec and during dissociation for 420 sec. The FRB dilutions were then injected 120 seconds contact time with increasing concentrations. Rapamycin was used as reference sample. 50 mM HEPES pH 7.5, 150 mM NaCl, 2 mM MgCl2, 1 mM DTT, 0.05% Tween-20, 1% DMSO was used as running buffer at a flow rate of 30 l/min. The multi-cycle kinetics data were fit to a 1:1 binding model to measure the association rate ka (1/Ms), the dissociation rate kd (1/s) and the affinity Kd (M). In case of fast association and dissociation, steady state affinity analysis following the law of mass action was used to determine the affinity Kd (M).
11177	1	SPR Assay	Surface plasmon resonance data was collected on a Biacore T200 or 3000 system (GE Healthcare) at 25° C. Streptavidin was immobilized on a CM5 (GE Healthcare) or CMD500d sensor chip (XanTec Bioanalytics) using standard amine-coupling chemistry at 25° C. with HBS-N (10 mM HEPES, 0.15 M NaCl, pH 7.4) as the running buffer. Briefly, the carboxymethyl dextran surface was activated with a 12 min injection of a 1:1 ratio of 0.4 M 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC)/0.1 M N-hydroxy succinimide (NHS) at a flow rate of 10 &#956;L/min. For capture of streptavidin, protein was diluted to 0.2 mg/mL in 10 mM sodium acetate (pH 4.5) and captured by injecting 100 &#956;L onto the activated chip surface. Residual activated groups were blocked with a 7 min injection of 1 M ethanolamine (pH 8.5). Avi-tagged PCSK9 protein was captured on the streptavidin surface by injection of 150 &#956;L of protein diluted to 16 pg/mL in FIBS-N, 0.05% tween-20, 0.1 mM CaCl2. Typical surface densities obtained were 8000-10000 RU. SPR binding data were obtained using an appropriate dilution series of each compound at a flow rate of 30 &#956;L/min, with a capture time of 100 s and dissociation times of 300 s. Running buffer for compound binding studies was FIBS-N, 0.05% tween-20, 0.1 mM CaCl2), 4% DMSO. Data were corrected for DMSO excluded volume effects. All data were double-referenced for blank injections and reference surface using standard processing procedures and data processing and kinetic fitting were performed using Scrubber software, version 2.0c (BioLogic Software).
11178	1	Enzyme Assay	The ability of the receptor interacting protein kinase (RIPK1) to catalyze the hydrolysis of adenosine-5&#8242;-triphosphate (ATP) is monitored using the Transcreener ADP (adenosine-5&#8242;-diphosphate) assay (BellBrook Labs). Purified human RIP1 kinase domain (2-375) (50 nM) derived from a baculovirus-infected insect cell expression system is incubated with test compounds for 2 hours in 50 mM Hepes buffer (pH 7.5) containing 30 mM MgCl2, 1 mM dithiothreitol, 50 uM ATP, 0.002% Brij-35, and 0.5% dimethyl sulfoxide (DMSO). Reactions are quenched by the addition of IX Bell Brooks Stop buffer B (20 mM Hepes (ph7.5), 40 mM ethylenediaminetetraacetic acid and 0.02% Brij-35) containing an additional 12 mM EDTA and 55 ug/mL ADP2 antibody and 4 nM ADP-AlexaFluor 633 tracer. The tracer bound to the antibody is displaced by the ADP generated during the RIP IK reaction, which causes a decrease in fluorescence polarization that is measured by laser excitation at 633 nm with a FP microplate reader M1000. Fractional activity was plotted against test article concentration.
11179	1	Inhibition Assay	Table 1 shows the IC50 of curcumin, compound 1, and compound 2, compared to a standard Zn++ binding & MMPI (matrix metalloproteinase inhibitor), 1,10-O-phenanthroline (o-phen), against purified human PMN MMP-8 (from EMD biologics, Inc., Gibbstown, N.J.) using a synthetic octapeptide containing the collagenase-susceptible glycine-isoleucine peptide bond and measuring the tripeptide breakdown products by HPLC (Waters Alliance 2695 System with a reverse phase C-18 column). Compound 1 was an excellent MMPI with an IC50 equivalent to that of 1,10-O-phenanthroline, while compound 2, which lacked substituents on the aryl moieties, did not show a dose response.
11179	2	Inhibition Assay	Table 10: The efficacy of MMP-2 inhibition was as follows: compound 6>compound 7>compound 8. Although compound 6 showed similar efficacy as curcumin when comparing MMP-2 inhibitory potency, the amide-containing compounds are much more soluble than the famously insoluble curcumin. The amide-containing curcumin derivatives are much more potent inhibitors of MMP-13 (Collagenase-3) than curcumin and even more potent than compound 1 (Table 9 and 10).: 
11180	1	In Vitro Effect Assay	Table 2: Inhibitory effect of each compound synthesized above on Rho-associated protein kinase (ROCK) was tested.Method 1. 10 mM test compound was diluted to 1 mM with DMSO, and then further diluted to 300 nM. Netarsudil (AR-13324) is a commercial drug for decreasing intraocular pressure, and AR-13503 is an active metabolite of AR-13324. 2. The 300 nM test compound mentioned above was serially diluted to obtain test compounds with concentrations of 100 nM, 33 nM, 11 nM, 3.7 nM, 1.2 nM and 0.4 nM, respectively. 3. 1 &#956;L of the serially diluted test compound mentioned above was added to 49 &#956;L of the modified ROCK reaction buffer (0.05 M Trizma hydrochloride buffer (pH 7.5) containing 0.1 M KCl, 0.01 M MgCl2, 0.1 mM EGTA and 2.25 &#956;g/mL ROCK1) to obtain an experimental group sample. 1 &#956;L of DMSO was taken to add to 49 &#956;L of an adjusted ROCK reaction buffer to obtain a positive control group sample (maximum value=100%). 1 &#956;L of DMSO was taken to add to 49 &#956;L of a buffer (0.05 M Trizma hydrochloride buffer (pH 7.5) containing 0.1 M KCl, 0.01 M MgCl2 and 0.1 mM EGTA) to obtain a vehicle control group sample (minimum value=0%). 4. 20 &#956;L of the above prepared sample was added to a flat-bottomed 96-well plate, and 20 &#956;L ROCK ATP buffer was added to each well. 5. The 96-well plate mentioned above was placed on an orbital shaker and reacted at room temperature for 90 minutes.6. Next, 40 &#956;L of Kinase-Glo luminescent kinase assay solution (Promega, RV6712) was added to the 96-well plate mentioned above, and the 96-well plate was placed on an orbital shaker and reacted at room temperature for 10 minutes. 7. The luminescence value of each well of the 96-well plate was determined by SpectraMax M5 microplate reader, and the ROCK inhibition rate (%) was calculated by the following formula.
11180	2	n Vitro Effect Assay	Table 4: Assay for Inhibitory Effect on Myosin Light Chain Kinase 4 (MYLK-4). The experimental procedure referred to the LanthaScreen Eu Kinase Binding Assay Screening Protocol and Assay Conditions provided by ThermoFisher Scientific.B-1. Material Preparation:3-fold serial dilution was performed on the test compound stock solution (1 mM) prepared in 100% DMSO was for 10 times for ready to use to determine the IC50 of the test compound on MYLK-4. Kinase/Antibody Mixture was pre-diluted with Kinase Buffer to 2× working concentration. B-2. Analytical Method 1. 3.84 &#956;L of kinase buffer was added to a white 384-well flat plate (Greiner, Cat. NO. 784207), then 8.0 &#956;L of the kinase/antibody mixture mentioned above was added thereto, and then 4.0 &#956;L of the tracer (AlexaFluor labeled Tracer) was added thereto, and after that 160 nL of the above diluted test compound at an appropriate concentration was added thereto, and the culture plate was shaken for 30 seconds. 2. Next, the culture plate was placed at room temperature and incubated for 60 minutes, and then the data was read and analyzed with a fluorescence plate reader.
11180	3	In Vitro Effect Assay	Table 5: The experimental procedure referred to the Z&#8242;-LYTE Screening Protocol and Assay Conditions provided by ThermoFisher Scientific. C-1. Material Preparation3-fold serial dilution was performed on the test compound stock solution (1 mM) prepared in 100% DMSO was for 10 times for ready to use to determine the IC50 of the test compound on YSK-4. Peptide/Kinase Mixture was pre-diluted with Kinase Buffer to 2× working concentration. ATP solution was pre-diluted with Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA) to 4× working concentration. The development reagent solution is Novel PKC Lipid Mix, which contains 2 mg/mL Phosphatidyl Serine, 0.2 mg/mL DAG in 20 mM HEPES, pH 7.4 and 0.3% CHAPS, and was pre-diluted 10 fold with development buffer.C-2. Analytical Method. 1. 100 nL of the above diluted test compound and 2.4 &#956;L of kinase buffer were added to a black 384-well plate (Corning, Cat. NO. 4514), then add 5 &#956;L of the peptide/kinase mixture mentioned above was added thereto, and after that 2.5 &#956;L of ATP solution was added thereto, and the culture plate was shaken for 30 seconds.2. Next, the culture plate was placed at room temperature and incubated for 60 minutes.3. After that 5 &#956;L of the development reagent solution was added and the culture plate was shaken for 30 seconds in the dark, and then the data was read and analyzed with a fluorescence plate reader. In addition, for the kinase, the following control group was prepared and placed on the same culture plate as the kinase:</p><p id="p-0248" num="0244">(1) 0% Phosphorylation Control (100% Inhibition Control). The maximum Emission Ratio is established by the 0% Phosphorylation Control (100% Inhibition Control), which contains no ATP and therefore exhibits no kinase activity. This control yields 100% cleaved peptide in the Development Reaction.(2) 100% Phosphorylation Control A synthetically phosphorylated peptide of the same sequence as the peptide substrate is used as the 100% Phosphorylation Control. This control yields a very low percentage of cleaved peptide in the Development Reaction.The Phosphorylation percent achieved in a specific reaction well (Experimental group) was calculated based on the 0% Phosphorylation Control and 100% Phosphorylation Control. The Z&#8242;-LYTE substrate used in the binding analysis reaction for Z&#8242;-LYTE Screening Kinase was Ser/Thr 07 peptide, and ATP reaction concentration was 5 &#956;M (Km of YSK4).
11181	1	LOX Enzyme Activity Assay	LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX enzyme in Assay Buffer ( 4 ml for one plate, 8 ml for two plates) (dilution dependent on batch activity)2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of positive control, BAPN, down column 11 (no duplication)4. Add following controls:0.5 &#956;l DMSO (100% activity control)5. Cover plate and incubate for 20 min at room temperature on a plate shaker6. Prepare Start Mix:Volume Reagent 1 x plate 2 x plate Final ConcnAssay Buffer &#8194;2 ml &#8194;&#8194;&#8201;3 ml 8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mM20 mM Amplex Red 10 &#956;l &#8194;&#8201;15 &#956;l 100 &#956;M1000 U/ml HRP 10 &#956;l &#8194;&#8201;15 &#956;l &#8194;&#8194;35 U/ml7. Add 10 &#956;l Start Mix to No HRP control wells8. Add HRP to the Start Mix. Add 10 ul to all wells EXCEPT No HRP control wells9. Incubate for 45 min at room temp on a plate shaker, protected from light10. Measure fluorescence using a plate reader:Excitation wavelength: 545 nmEmission wavelength: 585 nmHRP Counter Assay Protocol
11181	2	LOXL2 Enzyme Activity Assay (20 min)	LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX enzyme in Assay Buffer ( 4 ml for one plate, 8 ml for two plates) (dilution dependent on batch activity)2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of positive control, BAPN, down column 11 (no duplication)4. Add following controls:0.5 &#956;l DMSO (100% activity control)5. Cover plate and incubate for 20 min at room temperature on a plate shaker6. Prepare Start Mix:Volume Reagent 1 x plate 2 x plate Final ConcnAssay Buffer &#8194;2 ml &#8194;&#8194;&#8201;3 ml 8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mM20 mM Amplex Red 10 &#956;l &#8194;&#8201;15 &#956;l 100 &#956;M1000 U/ml HRP 10 &#956;l &#8194;&#8201;15 &#956;l &#8194;&#8194;35 U/ml7. Add 10 &#956;l Start Mix to No HRP control wells8. Add HRP to the Start Mix. Add 10 ul to all wells EXCEPT No HRP control wells9. Incubate for 45 min at room temp on a plate shaker, protected from light10. Measure fluorescence using a plate reader:Excitation wavelength: 545 nmEmission wavelength: 585 nmHRP Counter Assay Protocol
11181	3	Monoamine Oxidase A (MAO-A) Selectivity Assay	MAO-Glo Assay Kit: Promega, Cat No. V1402MAO-A Enzyme: Promega, Cat No. V1452Clorgyline: Sigma, Cat No. M3778 (50 mg)Assay Plates:96 well white polystyrene, flat bottom plates, no lid: Fisher, Cat No. DPS-134-050AInhibitors (Test compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Procedure:1. Dilute MAO substrate 1:50 with MAO A reaction buffer and add 25 &#956;l to each well of a 96 well plateRequire 2.8 ml: 56 &#956;l MAO substrate+2744 &#956;l reaction buffer2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of Clorgyline (positive control) down column 11 (no duplication)4. Add 25 &#956;l specific MAO enzyme dilution:dilute 1:520 with MAO-A specific reaction buffer (5.3 &#956;l MAO-A+2750.7 &#956;l reaction buffer)5. Add following controls, in duplicate, down column 12:No Luciferin: 25 &#956;l MAO enzymeDMSO: 0.5 &#956;l DMSO+25 &#956;l MAO enzymeBlow Out: 1 &#956;l undiluted MAO-A enzyme+24 &#956;l reaction buffer6. Incubate for 1 hour at room temp on a plate shaker7. Add 50 &#956;l Luciferin detection reagent to each well EXCEPT no luciferin control wells (add 50 &#956;l reaction buffer)8. Incubate for 20 min at room temp on a plate shaker, protected from light9. Measure the luminescence using a plate reader (read mode: luminescence 500 ms/well)
11181	4	Monoamine Oxidase B (MAO-B) Selectivity Assay	MAO-B Enzyme: Sigma, Cat No. M7441Deprenyl: Sigma, Cat No. M003Assay Plates: 96 well white polystyrene, flat bottom plates, no lid: Fisher, Cat No. DPS-134-050AInhibitors (Test compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Procedure:1. Dilute MAO substrate 1:50 with MAO A reaction buffer and add 25 &#956;l to each well of a 96 well plateRequire 2.8 ml: 56 &#956;l MAO substrate+2744 &#956;l reaction buffer2. Add 0.5 &#956;l test compound serial dilutions, in duplicate3. Add 0.5 &#956;l serial dilutions of Deprenyl (positive control) down column 11 (no duplication)4. Add 25 &#956;l specific MAO enzyme dilution:MAO-B (plate 2): dilute 1:52 with MAO-B specific reaction buffer (53 &#956;l MAO-B+2703 &#956;l reaction buffer)5. Add following controls, in duplicate, down column 12:No Luciferin: 25 &#956;l MAO enzymeDMSO: 0.5 &#956;l DMSO+25 &#956;l MAO enzymeBlow Out: 1 &#956;l undiluted MAO-A enzyme+24 &#956;l reaction buffer6. Incubate for 1 hour at room temp on a plate shaker7. Add 50 &#956;l Luciferin detection reagent to each well EXCEPT no luciferin control wells (add 50 &#956;l reaction buffer)8. Incubate for 20 min at room temp on a plate shaker, protected from light9. Measure the luminescence using a plate reader (read mode: luminescence 500 ms/well)
11181	5	Diamine oxidase (DAO) selectivity assay	Promega ROS-Glo H2O2 Assay Kit, 50 ml. Cat No. G8821Inhibitors (Test compounds):10 mM stock diluted to 10, 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, 0.001, and 0.0003 mM in drug plate, resulting in a concentration of 100, 30, 10, 3, 1, 0.3, 0.1, 0.03, 0.01, and 0.003 uM in the assay.Positive Control (Aminoguanidine):1 mM stock diluted to 1 to 0.0001 and 0.00003 mM in drug plate, resulting in a concentration of 3 to 0.001 and 0.0003 uM in the assay.DAO:DAO batch is obtained from Sigma Enzyme is reconstituted in sodium phosphate buffer at 10 mg/mLAssay Plates: 96 well white polystyrene, flat bottom plates: Fisher, Cat No. DPS-134-050AProcedure:1. Dilute 400 ul DAO enzyme in 4 mL Assay Buffer (enough for one plate). Add 40 ul DAO enzyme to all wells (excluding G+H 12, assay buffer only)3. Add 0.5 &#956;l test compound serial dilutions, in duplicate4. Add 0.5 &#956;l serial dilutions of Aminoguanidine down column 11 and to E+F 125. Add 0.5 &#956;l DMSO (100% activity control) to C+D 126. Cover plate and incubate for 20 minutes at room temp on a plate shaker7. Prepare Start Mix:Volume Reagent 1 x plate 2 x plate Final ConenAssay Buffer &#8194;2 ml &#8194;&#8194;&#8194;3 ml 8.5M Cadaverine 23 &#956;l 34.5 &#956;l 97.8 mMH2O2 Substrate (1:80) 25 &#956;l 37.5 &#956;l 125 &#956;M8. Add 10 &#956;l Start Mix to all wells9. Incubate for 60 min at room temp on a plate shaker10. Prepare Detection Reagent:VolumeReagent 1 x plate 2 x plateLuciferin &#8194;5 ml &#8194;10 mlD-cysteine (1:100) 50 &#956;l 100 &#956;lSignal Enhancer (1:100) 50 &#956;l 100 &#956;l11. Add 50 &#956;l Detection Regent to each well EXCEPT No Luciferin controls (A+B 12, add 50PI assay buffer)12. Incubate for 20 min at room temp on a plate shaker, protected from light13. Measure luminescence using a plate reader (integration 500 ms)Values for the blank (no DAO controls) are subtracted from all samples.
11182	1	Enzymologic Experiment of FGFR4	In this experiment, the inhibitory effect of the compounds on FGFR4 kinase activity was tested by a fluorescence resonance energy transfer (TR-FRET) method, and the half maximal inhibitory concentration (IC50) of the compounds on the FGFR4 kinase activity was determined. 1) 1 5 &#956;L of FGFR4 enzyme solution were added to a 384-well plate, and the final concentration of the enzyme was 0.1 5 nM. 2) 1 5 &#956;L of diluted solution in gradient of the compound were added.3) 1 5 &#956;L of a substrate mixture containing substrate polypeptide with a final concentration of 5 50 nM and ATP with a final concentration of 10 200 &#956;M were added.4) The mixture was incubated for 0.5-3 hours at room temperature.5) 10 &#956;L of EDTA and a test solution comprising labeled antibody were added, and the plate was incubated for 1 hour at room temperature.6) The fluorescence signal values of each plate were determined by a microplate reader at 665 nm.7) The inhibition rates were calculated according to the fluorescence signal values.
11182	2	Enzymologic Experiment of FGFR1	In this experiment, the inhibitory effect of the compounds on FGFR1 kinase activity was tested by a fluorescence resonance energy transfer (TR-FRET) method, and the half maximal inhibitory concentration (IC50) of the compounds on the FGFR1 kinase activity was determined. 1) 1 5 &#956;L of FGFR1 enzymatic solution was added to a 384-well plate, and the final concentration of the enzyme was 0.1 5 nM. 2) 1 5 &#956;L of diluted solution in gradient of the compound was added.3) 1 5 &#956;L of a substrate mixture containing substrate polypeptide with a final concentration of 5 50 nM and ATP with a final concentration of 10 200 &#956;M was added. 4) The mixture was incubated for 0.5-3 hours at room temperature. 5) 10 &#956;L of EDTA and a test solution comprising labeled antibody were added, and the plate was incubated for 1 hour at room temperature. 6) The fluorescence signal values of each plate were determined by a microplate reader at 665 nm. 7) The inhibition rates were calculated according to the fluorescence signal values.
11183	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin.
11184	1	ATM Kinase Assay	The IC50 value was determined with the aid of a biochemical ATM kinase assay. The assay consists of two steps: the enzymatic reaction and the detection step. Firstly, ATM (ataxia telangiectasia mutated) protein and the test substance are incubated at different concentrations with addition of substrate protein p53 and ATP. ATM mediates the phosphorylation of p53 at several positions, including at amino acid S15. The amount of phosphorylated p53 is determined with the aid of specific antibodies and the TR-FRET technique. The enzymatic ATM assay is carried out as TR-FRET (HTRF , Cisbio Bioassays) based 384-well assay. In the first step, purified human recombinant ATM (human ATM, full length, GenBank ID NM_000051, expressed in a mammal cell line) is incubated in assay buffer for 15 minutes with the ATM inhibitor in various concentrations and without test substance as negative or neutral control. The assay buffer comprises 25 mM HEPES pH 8.0, 10 mM Mg(CH3COO)2, 1 mM MnCl2, 0.1% BSA and 0.01% Brij 35, 5 mM dithiothreitol (DTT). The test-substance solutions were dispensed into the microtitre plates using an ECHO 555 (Labcyte). In the second step, purified human recombinant cmyc-labelled p53 (human p53, full length, GenBank ID BC003596, expressed in Sf21 insect cells) and ATP are added, and the reaction mixture is incubated at 22° C. for 30-35 minutes. The pharmacologically relevant assay volume is 5 &#956;l. The final concentrations in the assay during incubation of the reaction mixture are 0.3-0.4 nM ATM, 50-75 nM p53 and 10 &#956;M ATP. The enzymatic reaction is stopped by addition of EDTA. The formation of phosphorylated p53 as the result of the ATM-mediated reaction in the presence of ATP is detected via specific antibodies [labelled with the fluorophorene europium (Eu) as donor and d2 as acceptor (Cisbio Bioassays)] which enable FRET. 2 &#956;l of antibody-containing stop solution (12.5 mM HEPES pH 8.0, 125 mM EDTA, 30 mM sodium chloride, 300 mM potassium fluoride, 0.1006% Tween-20, 0.005% Brij 35, 0.21 nM anti-phospho-p53(ser15)-Eu antibody and 15 nM anti-cmyc-d2 antibody) are added to the reaction mixture. After incubation, usually for 2 hours (between 1.5 and 15 h), for signal development, the plates are analysed in a plate reader (EnVision, PerkinElmer) using TRF mode (and with laser excitation). After excitation of the donor europium at a wavelength of 340 nm, the emitted fluorescence light both of the acceptor d2 at 665 nm and also of the donor Eu at 615 nm is measured. The amount of phosphorylated p53 is directly proportional to the quotient of the amounts of light emitted, i.e. the relative fluorescence units (RFU) at 665 nm and 615 nm. The measurement data were processed by means of Genedata Screener software. IC50 determinations are carried out, in particular, by fitting a dose/action curve to the data points by means of nonlinear regression analysis.
11185	1	PDE9 Inhibition Assay	A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 225 pCi of 3H-labelled cyclic nucleotide substrate, tritium labeled cAMP to a final concentration of 5 nM and varying amounts of inhibitors. Reactions are initiated by addition of the cyclic nucleotide substrate, and reactions are allowed to proceed for one hr at room temperature before being terminated through mixing with 15 uL 8 mg/mL yttrium silicate SPA beads (Amersham). The beads are allowed to settle for one hr in the dark before the plates are counted in a Wallac 1450 Microbeta counter. The measured signal can be converted to activity relative to an uninhibited control (100%) and IC50 values can be calculated using the Xlfit extension to EXCEL.
11185	2	PDE1 Inhibition Assay	PDE1 assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzym1 (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 h at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 h in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XlFit (model 205, IDBS).
11186	1	Inhibition Assay	In one embodiment, the present invention provides compounds of formula (Ie) and their pharmaceutically acceptable salts as described herein, wherein said compounds of formula (Ie) and their pharmaceutically acceptable salts have an IC50 for MAGL below 25 &#956;M, preferably below 10 &#956;M, more preferably below 5 &#956;M as measured in an assay comprising the steps of: list-style a) providing a solution of a compound formula (e), or a pharmaceutically acceptable salt thereof, in DMSO; b) providing a solution of MAGL (recombinant wild-type) in assay buffer (50 mM tris(hydroxymethyl)aminomethane; 1 mM ethylenediaminetetraacetic acid); c) adding 1 &#956;L of compound solution from step a) to 19 &#956;L of MAGL solution from step b); d) shaking the mixture for 1 min at 2000 rpm; e) incubating for 15 min at RT; f) adding 20 &#956;L of a solution of 4-nitrophenlyacetate in assay buffer (50 mM tris(hydroxymethyl)aminomethane; 1 mM ethylenediaminetetraacetic acid, 6% EtOH); g) shaking the mixture for 1 min at 2000 rpm;h) incubating for 5 min at RT; i) measuring the absorbance of the mixture at 405 nm a first time; j) incubating a further 80 min at RT;k) measuring the absorbance of the mixture at 405 nm a second time; l) substracting the absorbance measured under i) from the absorbance measured under k) and calculating the slope of absorbance; wherein: i) the concentration of the compound of formula (Ie), or the pharmaceutically acceptable salt thereof in the assay after step f) is in the range of 25 &#956;M to 1.7 nM; ii) the concentration of MAGL in the assay after step f) is 1 nM; >iii) the concentration of 4-nitrophenylacetate in the assay after step f) is 300 &#956;M; and iv) steps a) to 1) are repeated for at least 3 times, each time with a different concentration of the compound of formula (Ie), or the pharmaceutically acceptable salt thereof.
11187	1	Scintillation Proximity Assay	The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125lodine-eotaxin-1. Cell membranes of hCCR3 C1 cells were again homogenized by passing through a single use needle (Terumo, 23Gx1 ") and diluted in SPA incubation buffer in suitable concentrations (0.5 -10 &#956;g protein/well) in 96 well microtiter plates (1450-514, Perkin Elmer). The SPA assay was set up in the SPA incubation buffer with a final volume of 200&#956;l and final concentration of 25mM HEPES, 25mM MgCI2 6xH2O, 1 mM CaCI2 2xH2O and 0,1% bovine serum albumin . The SPA assay mixture contained 60 &#956;l of the membrane suspension, 80 &#956;l of Wheat Germ Agglutinin coated PVT beads (organic scintillator, GE Healthcare, RPNQ-0001 ) 0,2 mg/well) , 40 &#956;l of recombinant human 125Jodine-eotaxin-1 (Biotrend), diluted in SPA buffer to a final concentration of 30.000 dpm per well, and 20 &#956;l of the test compound (dissolved in DMSO dilutions). The SPA assay mixture was incubated for 2 h at room temperature. Bound radioactivity was determined with a scintillation counter (Micro Beta "Trilux", Wallac). Included were controls for total binding (no displacer added, Bo) and non-specific binding (NSB) by adding unlabelled recombinant human Eotaxin-1 (Biotrend, Cat #300-21 ) or a reference compound. Determination of the affinity of a test compound was calculated by subtraction of the nonspecific binding (NSB) from the total binding (Bo) or the binding in the presence of the test compound (B) at a given compound concentration. The NSB value was set to 100% inhibition.
11188	1	Human O-GlcNAcase enzyme inhibition assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
11189	1	3CLpro Inhibitory Activity Test	The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined using fluorescence resonance energy transfer. 10 &#956;L of the compound solutions prepared at different concentrations (final concentrations of 1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, 3.90, 1.95 nM, in DMSO) and 40 &#956;L of SARS-CoV-2 3CLpro (Shanghai Biyuntian Biotechnology Co., Ltd., final concentration: 0.5 &#956;M, diluted with Tris-HCl buffer (20 mM Tris-HCl, 100 mM NaCl, 1 mM EDTA, pH 7.4)) were mixed, added to a black 96-well plate, incubate at 37° C. for 10 min. A reaction was initiated by adding 50 &#956;L of the fluorescent substrate Dabcyl-KTSAVLQSGFRKME-Edans (Shanghai Biyuntian Biotechnology Co., Ltd., the final concentration: 20 &#956;M), incubated for 10 min, and measured by a multifunctional microplate reader (Thermo Fisher Scientific Co., Ltd., Varioskan Flash) for fluorescence detection, the excitation wavelength: 340 nm, the emission wavelength: 490 nm. The fluorescence value was recorded to calculate the inhibition percentage of the sample. DMSO without compound was used as the enzyme activity control, and the Tris-HCl buffer without SARS-CoV-2 3CLpro was used as the blank control, and the treatment methods were the same. The IC50 values of the samples (compounds 1-9) were calculated by nonlinear regression analysis using GraphPad Prism software.
11190	1	TBD	TBD
11190	2	TBD	TBD
11191	1	Surface Plasmon Resonance (SPR)	Binding interactions of ligands with STING proteins were quantified using Surface Plasmon Resonance (SPR) with a minimally biotinylated STING protein immobilized on Streptavidin chip surface. In this manner highly active STING protein surfaces were obtained that were not compromised by a low pH required for amine coupling methods. Minimal biotinylation of purified huSTING protein was performed using a previously described methodology (Chabbra 2012). Briefly, approximately 20 nmol of recombinant STING protein in 1×TBS buffer (25 mM Tris-HCl, 150 mM NaCl, 5 mM DTT) was mixed with of EZ-LinkH Sulfo-NHS-LC-LC-Biotin (Thermofisher Scientific, cat #21338) at a molar ratio of 1 to 0.6 and then incubated on ice for 2 hours. To remove any unreacted biotin reagent, protein/biotin mixture was passed through a Superdex 75 (10/300 GL) column equilibrated with 10 mM HEPES pH 7.4, 150 mM NaCl, 5 mM DTT, 5% (v/v) glycerol. A protein peak containing biotinylated huSTING protein was collected and stored in aliquots at &#8722;80° C. Streptavidin was simultaneously immobilized in all four channels of a CM5 sensor chip docked in a Biacore instrument (either Biacore S200 or Biacore T200, GE Healthcare) as described previously (Zender 2013). Minimally biotinylated STING protein was captured onto Streptavidin coated chip surface at 25° C. in SPR binding buffer (50 mM HEPES pH 7.4, 150 mM NaCl, 2.5 mM TCEP, 2% (v/v) DMSO) gradually injected in a single channel at a constant flow-rate of 2 &#956;L/min until SPR response increases were no longer observed resulting in typical capture levels of 5000 to 7000 RU (1 RU=1 &#956;g/mm2). To determine binding affinity, compound interaction with immobilized STING protein was analysed using dose-response experiments. All binding experiments were performed at 25° C. in SPR binding buffer. Fresh 10 mM DMSO solutions of compound were diluted directly into SPR binding buffer to a final concentration of 10 &#956;M and then further diluted either 2-fold or 3-fold aiming for either a 5- or 7-point concentration series range. Each ligand concentration series was injected at a constant flow rate of 60 &#956;L/min with a 90 second association and a 180 second dissociation time. Scrubber 2 (www.biologic.com.au) was utilized for data processing and analysis. Thus, SPR signals were referenced against the blank surface (streptavidin+D-biotin) and further corrected for DMSO refractive index change and then double-referenced using a buffer-blank injection (Papalia 2006). To determine binding affinities (KD values) from dose-response experiments, binding responses at equilibrium were fit to either a 1:1 steady state affinity or to 1:1 binding kinetic models (both available within Scrubber software).
11192	1	Determination of the IC50 for Plasma Kallikrein	Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human plasma kallikrein (Protogen) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
11192	2	Determination of the IC50 for KLK1	KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human KLK1 (Callbiochem) was incubated at 25° C. with the fluorogenic substrate H-DVal-Leu-Arg-AFC and various concentrations of the test compound. Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
11192	3	Determination of the % Inhibition for FXIa	FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Sturzebecher et al., Biol. Chem. Hoppe-Seyler, 1992, 373, 1025). Human FXIa (Enzyme Research Laboratories) was incubated at 25° C. with the fluorogenic substrate Z-Gly-Pro-Arg-AFC and 40 &#956;M of the test compound (or alternatively at various concentrations of the test compound in order to determine IC50). Residual enzyme activity (initial rate of reaction) was determined by measuring the change in optical absorbance at 410 nm and the IC50 value for the test compound was determined.
11193	1	Determination of Compound&#39;s ROCK Inhibitory Activity In Vitro (Z&#39;Lyte Assay)	Recombinant ROCK1 (amino acids 1-535) and ROCK2 (amino acids 1-552) proteins were purchased from ThermoFisher Scientific. Compound&#39;s activities were measured by Z&#8242;-lyte kinase kit (ThermoFisher Scientific) and IC50 was calculated
11194	1	RORgamma Reporter Assay (Gal4)	The HEK293 cell line is co-transfected transiently with two plasmids, one with the ROR&#947; ligand-binding domain fused to galactose-responsive transcription factor (Gal4), and the other with the luciferase reporter gene and Gal binding sites (UAS). This construction allows to determine the ROR&#947; activity in a cellular system through the measurement of luminescence.A suspension of ROR&#947; reporter cells was dispensed into plates and cultured 2 h at 37° C. and 5% CO2. Media formulation consisted in DMEM/F-12 medium (Gibco) supplemented with 10% heat inactivated FBS (Sigma-Aldrich), non-essential aminoacids (Sigma-Aldrich), 2 mM Glutamax (Gibco) and 100 U/mL penicillin (Sigma-Aldrich). Dose-response curves with compounds were prepared in 100% DMSO and further diluted 100-fold in culture medium. Compound solutions were added to the plate containing cells (final DMSO concentration of 0.1%) and incubated for 24 h at 37° C. and 5% CO2. Luciferase detection reagent was added to each well, and relative light units (RLUs) were quantified from each assay well using a plate reading luminometer.Values of average RLU±S.D. were computed for all treatment sets, followed by the calculations of percent-reduction of ROR&#947; activity in response to respective test compound. The following formula was used: activity=100*[1&#8722;[x test compound/average vehicle where the theoretical minimum reduction (0% reduction). For all experiments, the activity values were plotted versus compound concentrations in one single plot and adjusted to a four-parameter logistic curve to obtain the absolute IC50 value along with the 95% confidence interval. These calculations were performed in excel-fit software using X-204 model curve.
11195	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
11196	1	HIV MT-4 Serum Shift Antiviral Reporter Assay	To quantify the amount of protein binding to human serum, compounds were serially diluted (1:3) in DMSO and acoustically transferred onto 384-well assay plates via a Labcyte ECHO robot. Each plate contained up to 8 test compounds, including negative and positive controls, (DMSO, 5 &#956;M AZT respectively). Assay plates were prepared in duplicate, and tested in either CCM (cell culture media) or HS/CCM (human serum/cell culture media). MT-4 cells were first pre-infected with pLai RLuc reporter virus for 2 h at 37° C., then further diluted in either CCM (RPMI media, 10% FBS, 1% P/S) or HS/CCM (RPMI media, 10% FBS, 50% HS, 1% P/S), and subsequently added to each plate using a Biotek Micro Flow dispenser. After a 72-h incubation in a humidified and temperature controlled incubator (37° C.), Renilla Glo (Promega) was added to all assay plates and chemiluminescence read using an Envision plate-reader. EC50 values were defined as the compound concentration that causes a 50% decrease in luminescence signal, and were calculated using a sigmoidal dose-response model to generate curve fits. To determine the amount of protein binding, EC50 fold shifts (or EC50 shifts) were calculated by dividing EC50 (HS/CCM)/EC50 (CCM).
11197	1	Whole-Cell Patch Clamp	Whole-Cell Patch Clamp of Mammalian Cells (Ionworks Barracuda (IWB)):The whole-cell patch-clamp technique was used to investigate the effects of positive allosteric modulating activity of test compounds on_GlunN1/GluN2A and GluN2B glutamate receptors expressed in mammalian cells.
11198	1	Biological Assay	The percent inhibition of USP7 at 100 &#956;M of each compound was determined prior to the determination of IC50 values. The final concentration of substrate was held constant at 200 nM and USP7 was held constant at a final concentration of 1 nM in Assay Buffer (50 mM Tris pH 7.5, 5 mM DTT, 0.1 mg/mL BSA, and 0.01% Triton X-100). From the 10 mM stock, each compound to be tested was diluted to a working concentration of 3 mM in 100% DMSO. The assay was performed as follows: 1 &#956;L of the working stock of compound was added to a Costar 96 half-volume black plate to which 15 &#956;L of USP7 was added. Plates were gently mixed and incubated at room temperature for five minutes. To initiate the reaction, 15 &#956;L of Ub-Rho110 was added. Each assay was measured in triplicate. A negative control of Ub-Rho110 alone was measured to evaluate the background rate. Control reactions of USP7 without compound (DMSO only) were included to measure the rate of the uninhibited USP7 reaction. All reactions contained a final concentration of 3% DMSO. The reaction progress was measured as a filter based assay in 10-second intervals for a total of 30 minutes at an excitation wavelength of 485 nm and an emission wavelength of 528 nm.
11199	1	Enzyme Activity Assay	The PHD2 181-417 polypeptide (3 &#956;g) was pre-incubated for 30 minutes with test compound prior to assessing the enzymatic activity of the polypeptide. The PHD enzymatic assay was then performed by transferring the purified PHD2 181-417 polypeptide (3 &#956;g) mixture with compound to 0.5 ml of reaction mixture containing the following: synthetic HIF-1&#945; peptide comprising residues [KNPFSTGDTDLDLEMLAPYIPMDDDFQLRSFDQLS] (10 &#956;M, California Peptide Research Inc., Napa, Calif.), and [5-14C]-2-oxoglutaric acid (50 mCi/mmol, Moravek Chemicals, Brea, Calif.) in reaction buffer (40 mM Tris-HCl, pH 7.5, 0.4 mg/ml catalase, 0.5 mM DTT, 1 mM ascorbate) for 10 minutes in the presence of compound. The reaction was stopped by addition of 50 &#956;l of 70 mM H3PO4 and 50 &#956;l of 500 mM NaH2PO4, pH 3.2. Detection of [14C]-succinic acid was achieved by separating from [5-14C]-2-oxoglutaric acid by incubating the reaction mixture with 100 &#956;l of 0.16 M DNP prepared in 30% perchloric acid. Next, 50 &#956;l of unlabeled 20 mM 2-oxoglutaric acid/20 mM succinic acid, serving as carrier for the radioactivity, was added to the mixture, and was allowed to proceed for 30 minutes at room temperature. The reaction was then incubated with 50 &#956;l of 1 M 2-oxoglutaric acid for 30 additional minutes at room temperature to precipitate the excess DNP.
11200	1	RIPK1 HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPK1(1-324) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.
11201	1	Determination of Ki Value at Human and Rat Histamin-3 Receptor	Histamine-3 membranes were prepared from recombinant CHO-k1 cells expressing human histamine-3 receptor or rat histamine-3 receptor. Radioligand (RS)-&#945;-Methylhistamine [ring-1,2-3H] was purchased from American Radiolabeled chemicals (ARC) (Cat No. ART 1342). The final ligand concentration was 3 nM; non-specific determinant was Methyl histamine (100 &#956;M) and histamine-3membrane (60 &#956;g/well). Methyl histamine was used as a positive control. Reactions were carried out in binding buffer 50 mMTris-HCl (pH 7.4) buffer containing 5 mM MgCl2 for 60 minutes at 25° C. Incubation was stopped by rapid filtration followed by four washes of the binding mixture using 96 well harvest plate (Millipore Cat no. MSFCNXB50) pre coated with 0.5% polyethyleneimine. The plate was dried and the bound radioactivity collected on the filters was determined by scintillation counting using MicroBetaTriLux. Nonspecific binding was deducted from each data point. Radio ligand binding in the presence of non-labeled compound was expressed as a percent of the total binding and plotted against the log concentration of the compound.
11202	1	Biological Assay	To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 &#956;M), ATP (20 &#956;M), and assay buffer (20 mM HEPES pH 7.4, 10 mM MgCl2, 0.015% Brij 35 surfactant and 4 mM DTT in 1.6% DMSO), with a final volume of 30 &#956;L. After incubating at room temperature for 60 min., the reaction was terminated by adding 45 &#956;L of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP 3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to control reactions with no enzyme (for 100% inhibition) and controls with no inhibitor (for 0% inhibition). Dose response curves were generated to determine the concentration required for inhibiting 50% of Btk activity (IC50). Compounds were dissolved at 10 mM in DMSO and evaluated at eleven concentrations.
11203	1	Activity of Binding to c-MET Enzyme Assay	Reagents and Materials:Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO and corresponding cofactor. Compound Formulation: The test compounds were dissolved in 100% DMSO to 0.33 &#956;M and subjected to a 3-fold serial dilution using a fully automated microplate pretreatment system ECHO to obtain 10 concentrations. Reaction Operations: 1) dissolving the substrate in the fresh prepared buffer 2) adding the required cofactor to the above buffer 3) adding enzyme to the above solution, and mixing well 4) adding test sample solution and incubating at room temperature for 20 minutes 5) adding 33 P-ATP to the reaction solution, and then incubating at room temperature for 2 hours 6) detecting radiation signals 7) analyzing the results using GraphPad Prism software.
11204	1	TBD	TBD
11205	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Equal volumes of His-tagged CRBN-DDB1 complex (56 nM) was mixed with Eu-cryptate labeled Anti-6HIS-monoclonal antibody (50× dilution from the commercial stock solution, Vender: Cisbio, Cat. #61HI2KLA) in a final buffer containing 20 mM HEPES pH 7.0, 150 mM NaCl, 0.005% Tween-20. The solution was then mixed with Cy5-labeled thalidomide (final 8 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration 200 uM). The mixture were incubated at room temperature for 1 hour. FRET signals were measured on an EnVision plate reader (Perkin Elmer) by exciting at 340 nm and recording emission at both 615 nm as no FRET control and 665 nm as the FRET signals with a 60 microsecond delay. FRET efficiency was calculated as the ratio of fluorescent signals at 665 nM/615 nM. Quantitative loss of FRET efficiency as a function of compound concentrations was fitted by a four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
11205	2	Fluorescence Polarization (FP) Assay	Untagged CRBN-DDB1 complex (final 50 nM) was mixed with Cy5-labeled thalidomide (final 20 nM) and various concentrations of compounds (a serial 3-fold dilution with the top concentration of 200 uM). The final solution contained 50 mM HEPES, 200 mM NaCl and 2 mM DTT, pH 7.5. The mixtures were incubated at room temperature for 10 min. The FP signals were recorded on an EnVision plate reader (Perkin Elmer) using the following settings: Excitation Light (%): 100; Measurement Height: 12; G-Factor: 1; Detector Gain 1: 500; Detector Gain 2: 500; Flash Number: 100. Dose-dependent loss of FP signals was fitted by four-parameter Logistic Function using GraphPad Prism 7.0 and the IC50 values were reported for each compound.
11206	1	Inhibition LYP ActivityAssay	Expression and Purification of the LYP Catalytic Domain N-terminal (His)6-tagged LYP catalytic domain (residues 1-303) was subcloned into pET28a. For protein expression, the LYP expressing construct was transformed into Escherichia coli BL21-(DE3). Transformed cells were grown at 37° C. in Luria broth (LB) containing 100 &#956;g/mL ampicillin for 4 h until the OD600 reached 0.6 and then induced for growth overnight at room temperature with 0.4 mM IPTG. Cells were harvested by centrifugation (6000 rpm for 15 min at 4° C.), and the cell pellets from 1.5 L of LB medium were suspended in 30 mL of ice-cold lysis buffer consisting of 5 mM imidazole, 500 mM NaCl, 20 mM Tris-HCl (pH 7.9), 0.05 mg/mL trypsin inhibitor, and 0.1 mM PMSF. The suspensions were passed twice through a French press at 1000 psi, and the cell lysates were centrifuged at 4° C. for 30 min at 15000 rpm. The supernatants were mixed with 2 mL of Ni-NTA agarose (His*Bind Resin) (Qiagen) at 4° C. for 1 h, and then the mixture was transferred to an empty column. The column was washed with 200 mL of binding buffer (5 mM imidazole, 500 mM NaCl, 20 mM Tris-HCl (pH 7.9)), followed by 20 mL of wash buffer (20 mM imidazole, 500 mM NaCl, 20 mM Tris-HCl (pH 7.9)), and then eluted with 20 mL of elution buffer (200 mM imidazole, 500 mM NaCl, 20 mM Tris-HCl (pH 7.9), 5 mM DTT). The elution was dialyzed for 6 h at 4° C. against 1 L buffer A (50 mM NaCl, 20 mM MES (pH 5.8), 1 mM EDTA) and then loaded onto a Mono S column equilibrated at 4° C. with buffer A. The column was washed with 10 mL of buffer A and then eluted with a 40 mL of linear gradient of 0-1 M NaCl in buffer A. The column fractions were analyzed by measuring the absorbance at 280 nm and by carrying out SDS-PAGE analysis. The fractions were combined, concentrated at 4° C. to <1 mL using an Amicon concentrator, and then loaded onto a gel filtration column Superdex 75. The column was eluted with buffer A, and then the fractions which contained protein were combined and concentrated to 8 mg/mL and stored at &#8722;80° C. The LYP preparation was shown to be homogeneous by SDS-PAGE analysis.
11207	1	Biological Assay	Each reaction was run at a volume of 20 &#956;L containing 50 &#956;M compound (dissolved in DMSO; final concentration of DMSO is 1% v/v), 40 nM human SARM1 (50-724), 0.3 mM NMN, 20 &#956;M NAD, 1 mM TCEP, 25 mM HEPES pH 7.4, 10 mM KCl and 10 mM MgCl2. The reaction was incubated at room temperature for 60 minutes and quenched with 20 &#956;L of 0.4% formic acid. The samples were run on Agilent HPLC 1260 Infinity II with Synergi 2.5 &#956;M Fusion-RP 100 &#8491; (100×3.0 mm) LC column from Phenomenex. Total run time for each sample was 4 minutes. The run was isocratic with 1.5% methanol in 40 mM ammonium acetate pH 6.0. Samples were run at a flow rate of 0.8 ml/min at 55° C. Peak areas of NAD and NAM were determined using OpenLAB CDS (Chem Station edition) software. For dose-response, the compound was diluted serially 1:3 in DMSO and added to the reaction starting at a final compound concentration of 100 &#956;M in 1% DMSO.
11208	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PIT) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.</p><p id="p-0381" num="0414">More specifically, the phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 50 &#956;l and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA 0.005% Brij-35, 5 mM DTT. The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.25 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRSI_psf 1172(dPEG8)pY1222 (sequence: H2N LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567, 100 &#956;M final) was added to the reaction and the conversion of DiFMUP to 6,8-difluoro-7-hydroxyl-4-methylcoumarin (DiFMU) was monitored continuously for 10 minutes with excitation at 355 nm and emission at 460 nm using a microplate reader (PolarStar, BMG). The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
11209	1	CYP1A2 Inhibition Assay	CYP1A2 Inhibition in Human Liver Microsomes. Pooled human liver microsomes were incubated with individual CYP, CYP1A2, isozyme-specific marker substrate (Phenacetin) in the presence of test compound at various concentrations (0.05, 0.15, 0.5, 1.5, 5, 15, 50 uM). The specific marker metabolites are measured with LC/MS/MS. The remaining enzymatic activities and inhibitory potency IC50 are determined. Procedure: Microsomes are removed out of the &#8722;80° C. freezer to thaw on ice and 20 &#956;L of the substrates solution added to the corresponding wells. Then 20 &#956;L PB was added to blank wells and 2 &#956;L of the test compounds and positive control working solution added to the corresponding wells. 2 &#956;L of solvent was added to No Inhibitor wells and Blank wells. Then 158 &#956;L of the HLM working solution was added to all wells of the incubation plate. The plate was pre-warmed for about 10 min using a 37° C. water bath. Then 20 &#956;L of the NADPH cofactor solution was added to all incubation wells, mixed and incubated for 10 minutes at 37° C. water bath. The reaction is terminated by adding 400 &#956;L cold stop solution (200 ng/mL Tolbutamide and 200 ng/mL Labetalol in ACN). The samples were centrifuged at 4000 rpm for 20 minutes to precipitate protein. Finally 200 &#956;L of the supernatant was transferred to 100 &#956;L HPLC water, shaken for 10 min and analyzed by LC/MS/MS.
11210	1	Binding Affinities to Different Adenosine Receptors	Binding affinity and specificities of the compounds against different subtype of human adenosine receptors (hA1, hA2A, hA2B and hA3) were characterized with cell membrane chromatography binding analysis. The compounds at different concentrations were incubate with hA1 membrane (from PerkinElmer) and [3H]-8-Cyclopentyl-1,3-dipropylxanthine (DPCPX) for 50 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 times before incubated at 55° C. for 10 min. At last, 40 &#956;L ULTIMA GOLD was added into each well, and CPM was read by TopCount.The compounds at different concentrations were incubate with hA2a membrane (from PerkinElmer) and [3H]-CGS21680 for 90 min at 25° C., meanwhile 100 &#956;L 0.5% PEI solution was added into UNFILTER-96 GF/B filter plate for 60 min at 4° C., then UNIFILTER-96 GF/B filter plate was washed twice with 50 ml wash buffer, the membrane mix was transferred into UNIFILTER-96 GF/B filter plate, and the filter plate was washed 4 timesbefore incubated at 55° C. for 10 min. At last, 40 &#956;L ULTIMA GOLD was added into each well, and CPM was read by TopCount.
11211	1	BACE1 and BACE2 Biochemical Competitive Radioligand Binding Assay	To explore the BACE1 versus BACE2 enzyme selectivity, the binding affinity (Ki) to the respective purified enzymes was determined in a competitive radioligand binding assay, i.e. in competition with a tritiated non-selective BACE1/BACE 2 inhibitor. Briefly in test tubes, compounds of interest were combined with the radioligand and the BACE1 or BACE2-containing HEK 293 derived membrane. The competitive binding reaction was performed at pH 6.2 and incubated at room temperature until the equilibrium was reached. Afterwards free radioligand was separated from bound radioligand by filtration with a Brandell 96 harvester. The filter was washed 4 times with washing buffer and the filter sheets were punched into scintillation vials. Ultima Gold scintillation cocktail was added and samples were shaken. The day after, the vials were counted in a Tricarb scintillation counter to obtain the disintegrations per minute (dpm) of the bound radioligand.Calculating the % CTL=(sample/HC)*100, with HC being the high control, i.e. total binding of radioligand, allowed to fit curves through the data points of the different doses of test compound.
11212	1	Biochemical Assays for IDH1 and IDH2 Mutant Enzymes	IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of &#945;KG to 2HG. 2HG is analyzed using in-line solid phase extraction and mass spectrometry. This analysis is carried out in a RapidFire instrument coupled to a 6460 triple quadrupole mass spectrometer (G6460A Agilent).IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using nickel affinity chromatography. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For IDH1 R132H, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 300 &#956;M, 2.5 &#956;M and 300 &#956;M respectively. For IDH1 R132C, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 100 &#956;M, 10 &#956;M and 100 &#956;M respectively. For IDH2 R172K, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 150 &#956;M, 10 &#956;M and 150 &#956;M respectively. For IDH2 R140Q, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 3000 &#956;M, 10 &#956;M and 100 &#956;M respectively. Final pH=7.0. Test compound dissolved in DMSO stock is diluted in the reaction mix at a final DMSO concentration of 4%. Compounds are tested in dose-response format. The assay is started by addition of enzyme. Enzymes are used at the following final concentrations: IDH1 R132H, 2 nM; IDH1 R132C, 0.5 nM; IDH2 R172K, 1.2 nM; IDH2 R140Q, 1.2 nM. After 90 minutes the reaction is quenched by adding ACN (50:50) containing 3-hydroxy-1,5-pentanedioic-2,2,3,4,4-d5acid (5d5-3HG) as an internal standard for mass spectrometry analysis and quantitation of reaction product. 2-Hydroxyglutarate (2HG) in quenched samples is separated using strong anionic exchange column chromatography (Phenomenex Strata-X-A SecurityGuard) and analyzed by mass spectrometry in a 6460 triple quadrupole mass spectrometer (G6460A Agilent). The 2HG signal detected is transformed into an analyte concentration using a calibration curve generated using known 2HG concentrations. For each compound tested, the % inhibition is calculated using a DMSO control sample as 0% inhibition and a no enzyme control as 100% inhibition.
11212	2	Biochemical Assays for Wild-Type IDH1 and IDH2 Enzymes	IDH1 and IDH2 enzymes catalyze the conversion of isocitrate to &#945;KG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP_001269316.1) and IDH2 (National Center for Biotechnology Information, Accession: EAX02082.1) proteins containing N-terminal His-tag are expressed in E. coli and purified using nickel affinity chromatography. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer at pH 7.5, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For the IDH1 wild-type assay isocitrate, NADP+ and MnCl2 are included at the concentrations of 85 &#956;M, 50 &#956;uM and 20 &#956;M respectively. For the IDH2 wild-type assay isocitrate, NADP+ and MnCl2 are included at the concentrations of 30 &#956;M, 50 &#956;M and 10 &#956;M respectively. Inhibitors dissolved in a DMSO stock solution are diluted in the reaction mixture at a final DMSO concentration of 4%. The enzyme assay is terminated (quenched) by adding ACN (50:50) containing d6-2-ketopentanedioic acid (d6-&#945;KG) as an internal standard for mass spectrometry analysis. Ten microliters of reaction mixture is combined with 100 &#956;L of water, 50 &#956;L of 1 M O-benzylhydroxylamine in pyridine buffer (8.6% pyridine, pH 5), and 50 &#956;L of 1 M N-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride (EDC) in pyridine buffer. Following derivatization at room temperature for one hour, samples are extracted with 600 &#956;L of EtOAc. Four hundred &#956;L of the upper layer is removed, dried under heated nitrogen and reconstituted with 100 &#956;L of MeOH/water (1:1). Ten &#956;L of derivatized sample is injected onto an LC-MS system consisting of a Shimadzu Prominence 20A HPLC system and a The Thermo Quantum Ultra triple quadrupole mass spectrometer. Analytes are separated on a Waters XBridge C18 column (2.1×50 mm, 3.5 &#956;m) with a flow rate of 0.6 mL/minute. Mobile phase A is 0.1% formic acid in water and mobile phase B is MeOH. The &#945;KG signal detected is transformed into analyte concentration using a calibration curve generated using known &#945;KG concentrations. For each compound tested, the % inhibition is calculated using a DMSO control sample as 0% inhibition and a no enzyme control as 100% inhibition.
11213	1	thallium-flux assay	The thallium flux assay is an in vitro method of measuring conductance through a potassium ion channel. Potassium channels are also permeable to thallium ions. The modulation of a K+ channel will thus increase or decrease thallium ion flow through the channel and thus, alter the observed fluorescence of a thallium-specific indicator dye.Stably transfected T-Rex-HEK-293-AnKir1 cells were cultured overnight in 384-well plates in media containing DMEM, 10% dialyzed FBS, and 1 &#956;g/mL tetracycline to induce channel expression. The next day the cell culture medium was replaced with a dye-loading solution containing assay buffer (Hanks Balanced Salt Solution with 20 mM HEPES, pH 7.3), 0.01% (w/v) Pluronic F-127 (Life Technologies, Carlsbad, Calif.), and 1.2 &#956;M of the thallium-sensitive dye Thallos-AM (TEFlabs, Austin, Tex.). After 1 hr incubation at room temperature, the dye-loading solution was washed from the plates and replaced with 20 &#956;L/well of assay buffer. The plates were transferred to a Hamamatsu Functional Drug Screening System 6000 (FDSS6000; Hamamatsu, Tokyo, Japan), where 20 &#956;L/well of each of the test compounds in assay buffer was added and allowed to incubate with the cells for 20 min. After incubation, a baseline recording was collected at 1 Hz for 10 s (excitation 470±20 nm, emission 540±30 nm); a thallium stimulus buffer was then added (10 &#956;L/well), and data were then collected for an additional 4 min. The Tl+ stimulus buffer contained (in mM): 125 NaHCO3, 1.8 CaSO4, 1 MgSO4, 5 glucose, 12 Tl2SO4, 10 HEPES, pH 7.4. For Tl+ flux assays on Kir2.x, Kir4.1 and Kir6.2/SUR1 expressing cells, the Tl+ stimulus buffer contained 1.8 mM Tl2SO4. To ensure the small-molecule vehicle DMSO had no direct effect on AnKir1-dependent Tl+ flux, the assay&#39;s tolerance to different doses of DMSO was evaluated. The robustness and reproducibility of the assay was determined by comparing Tl+ flux through tetracycline-induced and tetracycline-free cells.
11214	1	Assessment of mGlu2 Receptor Negative Allosteric Modulator Activity	Human mGlu2 receptor stable expressing cells were prepared and incubated. Luminescence signals by mGlu2 receptor stimulation were detected with FDSS7000 (Hamamatsu Photonics). The compound solution prepared above was added to a plate where cells and luminescent substrates were added (10 &#956;l/well). After 120 seconds of the addition, EC80 Glutamate-containing solution was added thereto (10 &#956;l/well), and luminescence signals were measured for 300 seconds after the addition (center wavelength: 465 nm) for calculation of RLU (Integration). mGlu2 receptor negative allosteric modulator activity of a compound was calculated by (100-100×(RLU of each compound and concentration)/(RLU of DMSO group)).The present compound was assessed with the above biological test, and the compounds with mGlu2 receptor negative allosteric modulator activity were found out.
11215	1	Vps34 Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were preincubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme and mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated. By the use of Dotmatics software compound concentration versus percent inhibition was fitted to generate IC50 values.
11216	1	Identification of CSNK1A1 Inhibitors	In order to identify inhibitors of CSNK1A1, the CSNK1A1 knockdown signatures in CMap were compared to all CMap compound signatures, and resultant compounds were ranked by strength of signature similarity. The top ranked compound from this analysis (compound 1) was predicted to act as a CSNK1A1 inhibitor.The CMap prediction was confirmed using Kinomescan (FIG. 1 ). Compound 1 bound to only six out of over 400 kinases tested in the assay, including CSNK1A1. 
11217	1	Biochemical Notum Enzymatic Activity Assay	An Echo liquid handler was used to acoustically dispense 500 nL of compounds into dry Greiner 384-well plates (catalog #781076), followed by 25 &#956;L of 2 &#956;M trisodium 8-octanoyloxypyrene-1,3,6-trisulfonate (OPTS, Sigma #74875) solution in 50 mM Tris, 5 mM CaCl2), 0.5 mM MgCl2, pH 7.4 assay buffer, and 25 &#956;L of 2.38 nM notum carboxyesterase enzyme solution in the same buffer to every well in the assay plate. After 1 hour incubation at room temperature, fluorescence was measured on a PheraSTAR FSX microplate reader with an excitation wavelength of 485 nm and emission wavelength of 520 nm.
11218	1	Human RNR Inhibition Effect	The inhibitory activity against the ribonucleotide reduction reaction (hereinafter referred to as RNR reaction) of the test compound was determined by measuring the formation of deoxycytidine diphosphate (hereinafter referred to as dCDP) from cytidine diphosphate (hereinafter referred to as CDP) by the following method.Human M1 subunit and human M2 subunit (mutant lacking amino terminal 59 amino acids), which are fused a histidine tag at the amino terminus, are overexpressed in Escherichia coli and are solubilized after collection, and histidine tagged human M1 and M2 proteins were purified on a nickel chelate column.For measuring the inhibitory activity of the test compound against the RNR reaction, the method described in the document [CANCER RESEARCH 64, 1-6, 2004] was referred to.
11219	1	MOR cAMP Agonist and Antagonist Assays	CHO Tag-lite human mOR stable cell line from Cisbio (NCBI accession number: NM_000914.3, Bedford, Mass.) were seeded and grown to approximately 80% confluence in Ham F-12 with 10% FBS, 50 U/ml penicillin, 50 &#956;g/ml streptomycin, 2 mM Hepes, and 1 mg/ml geneticin (Invitrogen, Carlsbad, Calif.). Cells were then harvested using accutase (Corning. Coming, N.Y.), centrifuged at 1300 RPM for 5 min, and plated at 5000 cells per 5 &#956;L per well in a 5× dilution of stimulation buffer consisting of the HTRF cAMP Gi kit, water and IBMX at 0.5 mM (Cisbio, Bedford, Mass.) in white HTRF low volume 384 well plates (Cisbio, Bedford, Mass.). Plates were then incubated at 37° C. in 5% CO2 for 10 minutes. For the agonist assay, forskolin was added to a final concentration of 4 &#956;M. For the antagonist assay, forskolin (4 &#956;M) and DAMGO at EC90 final concentration were added. Test compounds were dissolved in DMSO and water, and then serially diluted to working concentrations such that the concentration of DMSO was less than 0.1%. Diluted test compounds were added at 2.5 &#956;L per well, and plates were incubated at 37° C., and 5% CO2 for 15 minutes, and then at room temperature for 15 minutes. Next 5 &#956;l/well of cAMP Eu-cryptate and 5 &#956;l/well of anti-cAMP-d2 (both diluted 1:20 in lysis buffer) were added, and plates were incubated at room temperature for 1 hour. Following incubation, plates were read in a Synergy Neo2 multi-mode reader (Biotek, Winooski, Vt.). Plate reader settings were set to time resolved fluorescence with excitation at 330 nm and emissions of 620 nm and 665 nm. Emission fluorescence was normalized (665/620 nm signal×1000). For the agonist assay, data was normalized using the maximal DAMGO response. Measurements were performed in triplicate and the dose response was fit using nonlinear regression.
11219	2	KOR beta-Arrestin Agonist and Antagonist Assays	KOR &#946;-Arrestin Agonist and Antagonist assays were preformed using the Tango OPRK1-bla U2OS cells from Invitrogen and purchased from ThermoFisher, catalog number K1576. The cells were used according to the manufacturer suggested instructions.
11219	3	DOR cAMP Agonist and Antagonist Assays	The dOR cAMP agonist and antagonist assays were conducted in a manner similar as described above for the mOR assays using CHO Tag-lite human dOR stable cell line from Cisbio (NCBI accession number: NM_000911.3, Bedford, Mass.).
11220	1	D3 Radioligand Binding Assay	Compounds were tested for their ability to compete with the orthosteric radioligand [3H]methylspiperone for binding to the D3 DAR using stable HEK cell lines expressing the D3 DAR (Codex Biosciences, Gaithersburg, Md., Catalogue no. CB-80300-206) as described in the detailed protocol below presented in Table 5. Cells were cultured in Dulbecco&#39;s modified Eagle&#39;s Medium (Corning, catalogue no. 10-013) containing 10% FBS, 1,000 units/mL Penicillin, 1,000 mg/mL Streptomycin, 100 mM sodium pyruvate, 1 &#956;g/mL Gentamicin, and 250 mg/mL G418. All cells were maintained at 37° C. in 500 CO2 and 90% humidity. For radioligand binding assays cells were removed mechanically using calcium-free Earle&#39;s balanced salt solution (EBSS). Intact cells were collected by centrifugation and then lysed with 5 mM Tris-HCl and 5 mM MgCl2 at pH 7.4. Homogenates were centrifuged at 30,000×g for 30 minutes. The membranes were re-suspended in EBSS (US Biological, catalogue no. E0249-05) pH 7.4 to a concentration of 16 &#956;g/mL. For competition binding studies, membrane preparations were incubated for 90 minutes at room temperature with various concentrations of compound and a single concentration of [3H]methylspiperone (Perkin Elmer, NET856) in a reaction volume of 250 &#956;L. Non-specific binding was determined in the presence of 4 &#956;M (+)-butaclamol (Sigma-Aldrich, catalogue no. D033). Bound ligand was separated from unbound by filtration through GF/C filters using a PerkinElmer cell harvester and quantified on a Top-count (PerkinElmer). Ki values were determined using Cheng-Prusoff equation from observed IC50 values and ligand Kd values from separate saturation experiments.
11220	2	D2 DAR Beta-Arrestin Recruitment Assay	For a secondary-screen and selectivity assays, DAR PathHunter &#946;arrestin GPCR cell lines from DiscoverX (Fremont, Calif.) were used. In the D2 Receptor PathHunter &#946;-arrestin GPCR cell line, the D2 DAR is overexpressed and fused with a small 42-amino acid fragment of &#946;-galactosidase called ProLink on a CHO cellular background expressing a fusion protein of &#946;-arrestin and a larger N-terminal deletion mutant of &#946;-galactosidase ( enzyme acceptor ). When DAR is activated by dopamine, it stimulates binding of &#946;-arrestin to the ProLink-tagged DAR and the two complementary parts of &#946;-galactosidase form a functional enzyme. When substrate (PathHunter Detection reagent) is added, &#946;-galactosidase hydrolyzes it and generates a chemiluminescent signal.
11222	1	KHK-C Assay A	A 384-well format on a Corning 3653 assay plate is used, and monitored by UV-vis spectroscopy in continuous mode at rt. Compounds were prepared in DMSO as 4 mM stocks, diluted using an 11-point half-log scheme on a Biomek FX (Beckman Coulter), and incubated at rt for 30 minutes with the reaction mixture containing 50 mM HEPES, pH 7.4, 140 mM KCl, 3.5 mM MgCl2, 0.8 mM fructose, 2 mM TCEP, 0.8 mM PEP, 0.7 mM NADH, 0.01% Triton X-100, 30 U/mL pyruvate kinase-lactate dehydrogenase, and 10 nM purified KHK-C. The compound concentration in each well ranged from 1 nM to 100 &#956;M. The reaction was initiated with the addition of 0.2 mM ATP. The absorbance was measured for 30 minutes on a SpectraMax reader (Molecular Devices) after ATP was added. The concentrations provided are based on the final mixture volume of 40 &#956;L (referred to as the final concentration). Controls: N8-(cyclopropylmethyl)-N4-(2-(methylthio)phenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine at 2 &#956;M final concentration was used as high percent effect (HPE) control, and 2.5% DMSO which was present in all reaction wells was used as zero percent effect (ZPE) control. Reaction rates were obtained for 300-1800 seconds time window in units of 1000*AU/min (absorbance unit per minute), and average values for ZPE and HPE controls from 16 wells each were calculated, AveZPE and AveHPE, respectively.
11222	2	KHK-C Assay B	Using 10-fold less enzyme and measuring absorbance for 3 hours to obtain IC50 values below the 10 nM lower limit of Assay A. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a concentration range of 97 &#956;M to 100 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 1 nM KHK-C. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm.
11222	3	KHK-C Assay C	Assay C was performed at high fructose and ATP concentrations, conditions that would be more consistent with physiological concentrations of the natural substrates of the KHK enzyme. Assay C was conducted as described above for Assay B except using 8 mM fructose and 2 mM ATP, and compound concentration range of 10 &#956;M to 1 &#956;M or 50 &#956;M to 5 &#956;M using half-log dilution scheme.
11222	4	KHK-A Assay D	Assay D was performed using human KHK-A to assess the potency of compounds in inhibiting activity of this enzyme. Compounds were prepared in DMSO as 4 &#956;M stocks, diluted using an 11-point 2-fold dilution scheme on a Biomek FX spanning a final concentration range of 0.25 to 250 nM, and incubated with reaction mixture prepared in a similar manner as in Assay A but containing 8 mM fructose and 1 nM KHK-A. The reaction was initiated with addition of 0.2 mM ATP, and the absorbance was monitored for 3 hours at 340 nm.
11223	1	PDE1 Inhibition Assay	PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 &#956;L samples containing a fixed amount of the PDE1 enzyme (sufficient to convert 20-25% of the cyclic nucleotide substrate), a buffer (50 mM HEPES pH 7.6; 10 mM MgCl2; 0.02% Tween20), 0.1 mg/ml BSA, 15 nM tritium labelled cAMP and varying amounts of inhibitors. Reactions were initiated by addition of the cyclic nucleotide substrate, and reactions were allowed to proceed for 1 hr at room temperature before being terminated through mixing with 20 &#956;L (0.2 mg) yttrium silicate SPA beads (PerkinElmer). The beads were allowed to settle for 1 hr in the dark before the plates were counted in a Wallac 1450 Microbeta counter. The measured signals were converted to activity relative to an uninhibited control (100%) and IC50 values were calculated using XlFit (model 205, IDBS).
11224	1	Solid Phase Integrin alphavbeta6 Binding Assay	Microplates were coated with recombinant human integrin &#945;v&#946;6 (2 ug/ml) in PBS (100 ul/well 25° C. overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). Plate was blocked with 200 ul/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 ug/ml) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
11225	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
11226	1	Activity Test of Compounds in the CHK1 Coupled Reaction System	The compounds of the present disclosure used in the experiments were self-prepared, and their chemical names and structural formulas were shown in the preparation embodiments of each compound. The determination mixture containing embodiment compounds of the present disclosure and Chk1 and Chk2 kinases were incubated in a microtiter plate, and CHK1 inhibitor activity of compounds were tested by monitoring the phosphorylation of Chk1 and Chk2 kinases on a synthetic peptide substrate with a specific amino acid sequence (KKKVSRSGLYRSPSMPENLNRPR, SEQ ID NO: 1). The test was carried out on the KinaseProfiler protein kinase activity detection platform of Eurofins, and the experimental results were provided by the company. The procedure was as follows: Chk1 and Chk2 kinases were diluted with 20 mM MOPS (morpholinpropane sulfonic acid), 1 mM EDTA (ethylenediaminetetraacetic acid), 0.04% Brij-35, 5% glycerol, 0.1% 2-mercaptoethanol, 1 mg/mL BSA (bovine serum albumin) and added to the reaction system, and the reaction system contained the embodiment compounds, 8 mM MOPS pH 7.0, 0.2 mM EDTA, 200 sM polypeptide substrate (KKKVSRSGLYRSPSMPENLNRPR, SEQ ID NO: 1), 10 mM magnesium acetate and a certain concentration of [&#947;-33P]-ATP (the strength was about 500 cpm/pmol). A mixture solution of Mg2&#8242; and ATP (adenosine triphosphate) was added to initiate the reaction and the reaction solution was incubated at room temperature for 40 min. 0.5% Phosphate buffer was added to terminate the reaction. 10 &#956;L of the reaction solution was filtered four times on a continuous filter P30, washed three times with 0.425 phosphate buffer, and once with methanol, each wash for 4 min. The value was read with scintillation counting method after drying.
11227	1	Plaque Reduction Assay	Hep-G2 cells (ECACC, 85011430) were passaged in flasks and seeded in 24-well plates in DMEM containing antibiotics and supplemented with 10% FBS. During inoculation and subsequent incubation, cells were cultured in DMEM containing 2% FBS. 100 plaque forming unit/well of RSV (RSV A2 ECACC, 0709161v) was mixed with eight serial dilutions of compound. Subsequently, 100 &#956;L of the virus/compound mixtures was added to confluent Hep-G2 cell monolayers. The cells and virus/compound mixtures were incubated at 37° C. in a humidified 5% CO2 incubator for 2 h prior to removal of the inoculum and addition of 1 mL of overlay (DMEM containing 2% FBS and 0.8% CMC) containing compound dilutions. The cells and were incubated at 37° C. in a humidified 5% CO2 incubator for 2 days.Cells were washed with PBS before adding 75/25% v4v EtOH/MeOH, for 3 min. Fixative was removed and plates were washed with PBS. A pre-titrated amount of the primary antibody was added in 200 &#956;L PBS/2% milk powder, and plates incubated for 90 min at 37° C. The plates were washed 3 times with PBS/0.05% Tween20 before addition of rabbit anti-goat horse radish peroxidase in 200 &#956;L PBS/2% milk powder, and incubated for 1 h at 37° C. Following three wash steps with PBS/0.05% Tween20, 200 &#956;L ready-to-use TrueBlue was added and plates were incubated at rt for 10-15 min before washing with water. After removal of water, plates were air-dried in the dark.Plates were scanned and analysed using the Immunospot S6 Macro analyser, which is equipped with BioSpot analysis software for counting immunostained plaques (virospots). Plaque counts were used to calculate % c infection relative to the mean of the plaque count in the virus control wells for RSV. The EC50 value was calculated as 50% reduction in signal, respectively, by interpolation of inhibition curves fitted with a 4-parameter nonlinear regression with a variable slope in Dotmatics.
11228	1	ERalpha (Wild Type), ERalpha (Y537S Mutant) and ERbeta Competition Binding Assay	The purpose of the following ER competition binding assays is to determine the affinity of a test compound against ER&#945; (wild type), ER&#945; (Y537S mutant), and ER&#946;.Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT, using 0.025 &#956;Ci per well 3H-estradiol (118 Ci/mmol, 1 mCi/mL), 7.2 ng/well ER&#945; (wild type), or 7.2 ng/well ER&#945; (Y537S mutant) or 7.7 ng/well ER&#946; receptor. Add the test compound at 10 different concentrations ranging from 10,000 nM to 0.5 nM, and determine nonspecific binding in the presence of 1 &#956;M of 17-&#946; estradiol. Incubate the binding reaction (140 &#956;L) for 4 hours at room temperature, and then add cold dextran-charcoal buffer (70 &#956;L) (containing per 50 mL of assay buffer, 0.75 g of charcoal and 0.25 g of dextran) to each reaction. Mix the plates for 8 minutes on an orbital shaker at 4° C. and then centrifuge at 3000 rpm at 4° C. for 10 minutes. Transfer an aliquot (120 &#956;L) of the mixture to another 96-well, white flat bottom plate (Costar) and add Perkin Elmer Optiphase Supermix scintillation fluid (175 &#956;L) to each well. Seal the plates and shake vigorously on an orbital shaker. After an incubation of 2.5 hours, read the plates in a Wallac Microbeta counter. Calculate the IC50 using a 4-parameter logistic curve fit and calculate % inhibition at 10 &#956;M. Convert the IC50 values for the compound to Ki using Cheng-Prusoff equation.
11229	1	AMCase Activity Assay	An enzymatic assay with recombinant human AMCase was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC:276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-Methylumbelliferyl B-D-N,N&#8242;-diacetylchitobioside hydrate was used as a substrate for the enzyme. Upon hydrolysis by AMCase, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm. Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of hAMCase recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Buffer (pH 10.5) to each well. The fluorescence of the reaction product was measured in Tecan Spark multimode plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
11229	2	CHIT1 Activity Assay	An enzymatic assay with recombinant human CHIT1 was used in order to establish inhibitory activity of the compounds (Boot et al., 2001, JBC:276). The assay was run in the 96-well plate format, each reaction in the total volume of 100 &#956;L. 4-methylumbelliferyl &#946;-D-N,N&#8242;,N&#8243;-triacetylchitotriose was used as a substrate for the enzyme. Upon hydrolysis by CHIT1, the substrate releases 4-methylumbelliferyl (4MU) that, when ionized in basic pH, emits fluorescence at 460 nm. Briefly, 40 &#956;L of a substrate was added to each well, followed by 10 &#956;L of compound dilution and 50 &#956;L of CHIT1 recombinant enzyme solution. The reaction was carried out in citrate buffer, pH 5.2, in the dark, at 37° C. for 60 minutes with shaking. After that time the reaction was stopped by adding 195 &#956;L of Stop Solution (pH 10.5) to each well. The fluorescence of the reaction product was measured in Tecan Spark multimode plate reader at an excitation wavelength of 355 nm. The IC50 values were calculated using GraphPad Prism.
11229	3	ERG Channel Binding Assay	Fluorescence polarization assay based on the principle of fluorescence polarization where a red-shifted fluorescent tracer is displaced from the hERG channel by compounds that bind to the channel was used to establish the binding of the compounds to hERG channel. Briefly, the compounds in serial dilutions were incubated with a membrane fraction containing hERG channel protein and a high-affinity red fluorescent hERG channel ligand in black 384-well plate. The reaction was incubated for 4 h at room temperature followed by the measurement of the fluorescence polarization using Tecan Spark multimode plate reader at excitation wavelength of 535 nm and emission wavelength 590 nm. The IC50 values were calculated using GraphPad Prism.
11231	1	Sodium Influx Assay (In Vitro Assay)	This sodium influx assay employs the use of the cell permeable, sodium sensitive dye ANG2 to quantify sodium ion influx through sodium channels which are maintained in an open state by use of sodium channel modulators. This high throughput sodium influx assay allows for rapid profiling and characterization of sodium channel blockers.In general, Trex HEK293 cells were stably transfected with an inducible expression vector containing the full-length cDNA coding for the desired human sodium channel &#945;-subunit and with an expression vector containing full length cDNA coding for the &#946;1-subunit. Sodium channel expressing cell lines were induced with tetracycline (1 &#956;g/mL) and plated on 384-well PDL-coated plates at a density of 25K-30K cells/well in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation (37° C., 5% CO2), culture media was removed and cells were loaded with 5 uM ANG2 dye for 1-1.5 h in Buffer 1 (155 mM NMDG, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM glucose, adjusted with Tris to pH 7.4). Access dye was removed and cells were incubated with test compounds for 1 hr in buffer 1 containing sodium channel modulator(s) at room temperature. Hamamatsu FDSS &#956;Cell was used to perform a 1:1 addition of Na/K challenge buffer (140 mM NaCl, 20 mM HEPES, 1 mM CaCl2, 15 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4) and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength set at 558 nm. Percent inhibition of sodium ion influx was calculated for each test compound at each test concentration to determine the IC50 values.
11231	2	Electrophysiological Assay (In Vitro Assay)	Sodium currents were measured using the patch clamp technique in the whole-cell configuration using either a PatchXpress automated voltage clamp or manually using an Axopatch 200B (Axon Instruments) or Model 2400 (A-M systems) amplifier. The manual voltage clamp protocol was as follows: Borosilicate glass micropipettes were fire-polished to a tip diameter yielding a resistance of 2-4 Mohms in the working solutions. The pipette was filled with a solution comprised of: 5 mM NaCl, 10 mM CsCl, 120 mM CsF, 0.1 mM CaCl2, 2 mM MgCl2, 10 mM HEPES, 10 mM EGTA; and adjusted to pH 7.2 with CsOH. The external solution had the following composition: 140 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES; and adjusted to pH 7.4 with NaOH. In some studies, the external sodium was reduced by equimolar replacement with choline. Osmolarity in the CsF internal and NaCl external solutions was adjusted to 300 mOsm/kg and 310 mOsm/kg with glucose, respectively. All recordings were performed at ambient temperature in a bath chamber with a volume of 150 &#956;L. Control sodium currents were measured in 0.5% DMSO. Controls and representative compounds of the invention were applied to the recording chamber through a 4-pinch or 8-pinch valve bath perfusion system manufactured by ALA Scientific Instruments.
11232	1	Enzyme Level Activity Assay	In the present disclosure, the enzyme level activity the compounds is detected by using the MDM2/p53 protein binding experiment and using a TR-FRET method. The steps were specifically as follows: an Echo pipette (Labcyte) was used to perform a 3.162-fold serial dilution on the test compounds, and each compound was diluted in 11 concentrations and 250 nL for each concentration was transferred to a 384-well plate, with two replicate wells set for each compound concentration. The well with positive compound (100% inhibition) added was set as a positive control, and the well with DMSO only as a negative control. The GST-MDM2 protein (R & D-E3-202-050) was diluted to 0.625 nM with a buffer (125 mM NaCl, 1 mM DTT, 0.01% Gelatin (animal gelatin), 0.1% Pluronic f-127 (polyether), 1 PBS), and 20 &#956;L of the diluent was added to the 384-well plate. After centrifugation and shaking, the 384-well plate was placed in a 23° C. incubator and incubated for 20 min. The His-p53 protein (R & D-SP-450-020) was diluted to 12.5 nM with a buffer, and 20 &#956;L of the diluent was added to the 384-well plate. After centrifugation and shaking, the 384-well plate was placed in a 23° C. incubator and incubated for 60 min. The Eu2+ anti-GST antibody (Cisbio-61GSTKLB) and XL665 anti-His antibody (Cisbio-61HISXLB) were diluted with a buffer, and the diluted mixture contains 0.3 nM Eu2+ anti-GST antibody and 9 nM XL665 anti-His antibody. 10 &#956;L of the mixture of the two antibodies was added to the 384-well plate. After centrifugation and shaking, the 384-well plate was placed in a 23° C. incubator and incubated for 20 h. Reading was performed on an Envision multifunctional microplate reader (PerkinElmer) (excitation light at 340 nm, and emission lights at 665 nm and 615 nm). Ratio=signal intensity at 665 nm/signal intensity at 615 nm×10000 is used to calculate the inhibition ratio, and the formula is as follows: inhibition ratio=(Ratio of the well with compounds added&#8722;Ratio of the negative control)/(Ratio of the positive control&#8722;Ratio of the negative control)*100%, and the IC50.
11233	1	Inhibition of Specific Binding to the hERG Receptor (HERGBD)	Binding was terminated by filtration of the incubated membrane preparations using Filtermat B (Pharmacia, Uppsala Sweden) and a Micro Cell Harvester (Skatron, Lier, Norway). The Filtermat B had been presoaked with 1% polyethylen imine and carefully washed with 0.05 M Tris/HCl-buffer pH=7.7 after the filtration to separate free and bound radioactivity. The filters were counted in a scintillation counter (Betaplate 1205, Berthold, Wildbad, Germany) in order to determine the specific binding of [3H]-Dofetilide. The optimal amount of membrane preparation in the assay was determined and optimized for each membrane preparation separately in front of using the membranes in compound testing. Test compounds were either screened at 6 to 10 increasing concentrations for the determination of IC50 and Ki or at 2-4 concentrations for the determination of the percent inhibition. For pipetting of the incubation mixture we routinely use the robot Biomek2000 (Fa. Beckman).
11234	1	Radioligand Binding Assay	The binding affinities shown in table 5 of psilocin and compound 8 at various monoaminergic receptors were determined in radioligand competition binding assays by Psychiatric Drug Screening Program according to the experimental described in Assay Protocol Book, Version III 11, 16. As shown compound 8 shows less affinity for various monoaminergic receptors compared to Psilocin.
11235	1	Enzyme Assay	General Procedure for Wild-Type PRC2 Enzyme Assay on Oligonucleosome Substrate. The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day of use. Compounds in 100% DMSO (1 &#956;L) were spotted into polypropylene 384-well V-bottom plates (Greiner) using a Platemate 2×3 outfitted with a 384-channel pipet head (Thermo). DMSO (1 &#956;L) was added to columns 11, 12, 23, 24, rows A-H for the maximum signal control, and SAH, a known product and inhibitor of PRC2 (1 &#956;L) was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 &#956;L) containing the wild-type PRC2 enzyme and chicken erythrocyte oligonucleosome was added by Multidrop Combi (Thermo). The compounds were allowed to incubate with PRC2 for 30 min at 25° C., then a cocktail (10 &#956;L) containing a mixture of non-radioactive and 3H-SAM was added to initiate the reaction (final volume=51 &#956;L). The final concentrations were as follows: wild-type PRC2 enzyme was 4 nM, non-radioactive SAM was 430 nM, 3H-SAM was 120 nM, chicken erythrocyte oligonucleosome was 120 nM, SAH in the minimum signal control wells was 1 mM and the DMSO concentration was 1%. The assay was stopped by the addition of non-radioactive SAM (10 &#956;L) to a final concentration of 600 &#956;M, which dilutes the 3H-SAM to a level where its incorporation into the chicken erythrocyte oligonucleosome substrate is no longer detectable. 50 &#956;L of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the chicken erythrocyte nucleosomes were immobilized to the surface of the plate, which was then washed three times with 0.1% Tween20 in a Biotek ELx405 plate washer. The plates were then read in a PerkinElmer TopCount platereader to measure the quantity of 3H-labeled chicken erythrocyte oligonucleosome bound to the Flashplate surface, measured as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).
11236	1	In Vitro Fluorescence-Based Recombinant Tau Binding Assay	(A) Expression and Purification of Human Tau: 1 mM IPTG (Sangon Biotech, Cat. No A100487) was used to induce production of tau by bacteria (BL21, Invitrogen, Cat. No C600003) transformed with a full-length 2N4R tau expression plasmid. After 3 hours, cell pellet was resuspended in lysis buffer (100 mM PIPES, 1 mM EGTA, 1 mM MgSO4, pH 6.8) and lysed by sonication followed by centrifugation (15,000 rpm, 15 min, 4° C.). The supernatant was then placed in a boiling water bath for 20 min, followed by centrifugation (15,000 rpm, 15 min, 4° C.). Supernatant was loaded onto a Q-Sepharose Fast Flow column (GE healthcare, Cat. No 17-0510-01), the flow-through fraction was loaded onto an SP-Sepharose Fast Flow column (GE healthcare, Cat. No 17-0729-01), and tau protein was eluted with elution buffer (100 mM PIPES, 1 M NaCl, 1 mM EGTA, 1 mM MgSO4, 0.2 M NaCl, pH 6.8). Collected fractions of tau-containing eluates were pooled, concentrated and dialyzed against HEPES buffer (25 mM HEPES, 0.1 mM EDTA, 0.5 mM DTT, 100 mM NaCl, pH 7.2) and stored at &#8722;80° C. in small aliquots until use. Protein concentration was determined by UV absorption.(B) Preparation of Heparin-Induced Aggregated Tau (aTau):>2 &#956;M of tau prepared in 30 mM Tris-HCl, pH 7.5 buffer was incubated in tube with 15 &#956;M heparin (Sigma, Cat. No H3149) at 37° C. for 24 hours. (C) Compound Fluorescent Spectra Scanning Assay: Compounds were dissolved in 100% DMSO, and 40 nM aTau was incubated with 10 &#956;M of each compound in 2% DMSO in 96 well plate (Corning, Cat. No 3573) at 37° C. for 1 hour. Emission and excitation of the compound was scanned by microplate spectrometer (EnSpire 2300, PerkinElmer).(D) In Vitro Fluorometric aTau Binding Assays: 2 &#956;M aTau was diluted to 0.04 &#956;M with 30 mM Tris-HCl (pH 6.8), and then incubated with serially diluted compound (three-fold serial dilutions, from 10 to 0.00017 &#956;M) in a 96-well plate (Corning, Cat. No 3573) at 37° C. for 1 hour. Fluorescence intensity (excitation/emission=370/500 nm) of APN-0729 was read by microplate spectrometer (EnSpire 2300, PerkinElmer). Compound Kd values were calculated using the following equation: Y=B max *X/(Kd+X), where X is the concentration of compound; Y is the fluorescence signal of (compound+aTau)&#8722;(compound+DMSO); and B max is the maximum signal.
11237	1	Protocol for In-Vitro Butyryl Cholinesterase Activity	In-vitro butyryl cholinesterase inhibitory activity was performed in 96-well microplates, 0.5 mM test compound in methanol, was incubated with 20 &#956;L butyrylcholinesterase, and 150 &#956;L of sodium phosphate buffer of pH 8.0 for 15 minutes at 25° C. After that 10 &#956;L of pre-prepared butyrylthiocholine chloride (0.5 mM) substrate was added in the dark for 15 minutes, followed by the addition DTNB (0.5 mM), to produce thionitrobenzoate (TNB), whose absorbance range in 412 nm. 5-Thio-2 nitrobenzoate (TNB) (yellow color) anion was produced when thiocholine binds with DTNB which was measured in the form of absorbance in each well. Each compound was evaluated in triplicate at 0.5 mM.Calculations of Inhibitory ActivityThe enzyme inhibitory activity was calculated using the following formula:Percent Inhibition=100&#8722;(O.D. of test/O.D. of control)×100Where test is the enzyme activity with sample, and control is the enzyme activity without sample, and O.D. is optical density.IC50 Value DeterminationThe IC50 values of the compounds were measured by monitoring the inhibitory effect of different concentrations ranging from 0.5-0.0125 &#956;M for in-vitro butyryl cholinesterase activity. 
11238	1	Alpha Screen Assay	AlphaScreen is a bead-based, non-radioactive Amplified Luminescent Proximity Homogeneous Assay. The details are not described in this patent.
11238	2	HotSpot Kinase Assay	The HotSpot Kinase Assay is used at our US facility for compound screening on protein kinases.
11239	1	AlphaLISA assay	The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 &#956;L. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171-327), 0.0625 nM biotinylated-Bim peptide, 10 &#956;g/mL AlphaLISA anti-6×His-AlphaLISA acceptor beads, 40 &#956;g/mL AlphaScreen streptavidin donor beads, and serially diluted test compounds in the binding buffer (20 mM Hepes, pH 7.5 (Teknova H1035); 150 mM NaCl (Promega V4221); 0.002% Brij 35 (Thermo Scientific 20150); 1 mM Dithiothreitol (DTT) Solution (Affymetrix 70726); 0.01% BSA (BioLabs B9000S)). 1,000× test compounds were pre-spotted onto 384-well Proxiplate (Labcyte Echo) by Echo 555 Liquid Handler (Labcyte Inc., San Jose, Calif.) followed by incubation of 5 &#956;l Mcl-1 (171-327) for 1 hour. Then 5 &#956;L Bim (51-76) was added and incubated for 2 hours. Five &#956;L AlphaLISA anti-6His-AlphaLISA acceptor beads were then added for 1 hour followed by addition of 5 &#956;L AlphaScreen streptavidin donor beads for 1 hour. The reaction plates were then read on an Envision multimode reader (PerkinElmer) using AlphaScreen settings.
11240	1	hERG assay	The inhibition of activity of hERG (human ether-a-go-go related gene) potassium channel by the compounds was evaluated by using an automatic whole-cell patch clamp system (QPatch 48 HT, Sophion Bioscience) that can directly measure the flow of ions through the potassium channel in cells. A CHO-K1 cell line stably expressing human hERG cDNA (Kv11.1, KCNH2) was used. The composition of the intracellular solution (mM) used for the analysis is 70 KF, 60 KCl, 15 NaCl, 5 HEPES, 5 EGTA, 5 MgATP, pH 7.3 by KOH. The composition of the extracellular solution (mM) used for the analysis is 137 NaCl, 4 KCl, 1 MgCl,1.8 CaCl2), 10 HEPES, 10 glucose, pH 7.35 by NaOH.
11241	1	CDK Inhibition In Vitro Assay	Selected compounds disclosed herein were tested in kinase assays by Nanosyn (Santa Clara, Calif.) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Specifics of each assay are as described below:CDK1/Cyclin B1: Enzyme concentration: 0.08 nM; ATP concentration: 40 &#956;M; Incubation time: 3 hr. CDK2/Cyclin A: Enzyme concentration: 0.1 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr. CDK2/Cyclin E: Enzyme concentration: 0.15 nM; ATP concentration: 100 &#956;M; Incubation time: 3 hr. CDK4/Cyclin D1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 3 hr. CDK6/Cyclin D3: Enzyme concentration: 2 nM; ATP concentration: 300 &#956;M; Incubation time: 3 hr. CDK9/Cyclin T1: Enzyme concentration: 5 nM; ATP concentration: 10 &#956;M; Incubation time: 17 hr.
11242	1	Pim-1 Inhibitory Activity Assay	The calculation of the Pim-1 inhibitory activity of the compound was performed using the following solution according to the protocol attached to ADP-Glo Kinase Assay (cat. V9102, Promega). The purified enzyme of human Pim-1 described above was used. (i) Preparation of Solution. The kinase buffer solution (50 mmol/L HEPES (pH 7.5), 5 mmol/L MgCl2, 1 mmol/L DTT, 0.05% BSA) was prepared by dissolving HEPES (Jena Bioscience), MgCl2 (Sigma-Aldrich), DTT (Sigma-Aldrich) and BSA (Sigma-Aldrich) in purified water. The ATP solution (288 &#956;mol/L) was prepared by dissolving 100 mmol/L ATP (Promega) in the kinase buffer solution. The enzyme/substrate solution (0.2 mmol/L Pim-1, 30 &#956;mol/L Pim2tide) was prepared by dissolving Pim-1 (described above) and Pim2tide (custom synthetic product by GenScript USA, the same product as PIM2tide cat. 12-542 by Millipore) in the kinase buffer solution. The test compound solution (containing 12.5% DMSO) was prepared by dissolving the DMSO solution of the test compound in the kinase buffer solution. The vehicle solution (containing 12.5% DMSO) was prepared by dissolving DMSO in the kinase buffer solution. (ii) Method. To a 384-well assay plate (Corning, 4513), the test compound solution or vehicle solution (control) was added by 1 &#956;L/well, the enzyme/substrate solution or kinase buffer solution (blank) was added by 2 &#956;L/well, and the ATP solution was added by 2 &#956;L/well, and they were mixed. After enzymatically reacting at room temperature for 45 minutes, ADP-Glo Reagent (Promega) was added by 5 &#956;L/well, and they were mixed. After reacting at room temperature for 60 minutes, Kinase Detection Reagent (Promega) was added by 10 &#956;L/well, and they were mixed. After reacting at room temperature for 30 minutes, the luminescence amount of each well was measured for 10 msec with a multi-label plate reader EnVision (PerkinElmer).
11243	1	Agonistic activity of the kappa-opioid receptors	Forskolin can stimulate the release of cAMP from HEK293 cells with high expression of human &#954; (or &#956;, or &#948;)-opioid receptors. The &#954;-opioid receptor agonists can inhibit the release of cAMP from the HEK293 cells with high expression of human &#954;-opioid receptors stimulated by Forskolin, but do not affect the release of cAMP from the HEK293 cells with high expression of human &#956; (or &#948;)-opioid receptors stimulated by Forskolin. The efficacy of the compounds of the invention as &#954;-opioid receptor agonists was determined by measuring the ability of the compounds of Examples to inhibit adenylate cyclase activity.Cell culture: The HEK293 cell line highly expressing human &#954; (or &#956;, or &#948;)-opioid receptor were cultured in DMEM medium containing 10% FBS.Stimulation: the test compound was 4-fold diluted in a gradient manner to obtain 10 concentrations, and 50 nl of each was transferred to a 384-well plate, and then 10 nl Forskolin was added; the cells were digested, re-suspended, and counted; and then 10 &#956;l of cell suspension (5×105 cell/mL) was added, and the cells were mixed gently, and incubated at 23° C. for 60 minutes.Detection: cAMP Assay Kit (Cisbio) was used, cAMPD2 and Anti-cAMP conjugate were added, and the resultant mixture was incubated for 1 h at room temperature. The plate was read using envision (Perkin Elmer) and EC50 was obtained by means of fitting with a four-parameter equation.
11243	2	Inhibition of Cytochrome P450 Oxidase	The human liver microsomes (0.253 mg/mL protein) containing cytochrome P450, test compounds (0.05-50 &#956;M), CYPs substrates (10 &#956;M p-acetaminophen, 5 &#956;M diclofenac, 30 &#956;M mephenytoin, 5 &#956;M dextromethorphan hydrobromide, 2 &#956;M midazolam), 1.0 mM NADP were incubated at 37° C. for 10 minutes. Naflavone, sulfafenpyrazole, N-3-benzylnivan, quinidine, and ketoconazole were used as reference inhibitors. The results are shown in Table 3. The IC50 of the test compounds are all greater than 50 &#956;M.
11244	1	Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay	Methods: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagged AR-LBD was prepared and purified using a GST column. Recombinant AR-LBD was combined with [3H]mibolerone (PerkinElmer, Waltham, Mass.) in buffer A (10 mM Tris, pH 7.4, 1.5 mM disodium EDTA, 0.25 M sucrose, 10 mM sodium molybdate, 1 mM PMSF) to determine the equilibrium dissociation constant (Kd) of [3H]mibolerone. Protein was incubated with increasing concentrations of [3H]mibolerone with and without a high concentration of unlabeled mibolerone at 4° C. for 18 h in order to determine total and non-specific binding. Non-specific binding was then subtracted from total binding to determine specific binding and non-linear regression for the ligand binding curve with one site saturation was used to determine the Kd of mibolerone.
11245	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions. The POC values were fit to a 4 parameter logistic curve, and the IC50 is defined as the concentration of inhibitor at which the POC equals 50 for the fitted curve. The IC50.
11245	2	RET G810R Mutant Assay	The potency of a compound inhibiting G810R mutant RET kinase was determined using CisBio&#39;s HTRF Kinease-TK assay technology. The assays contained G810R mutant RET produced at Array Biopharma, Inc. (1 nM enzyme p1982 Lot. No. 160713. The kinase was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog #62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared as a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60-min incubation at 22° C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1× TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-h incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compounds, and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50.
11246	1	Ras-SOS Interaction Assay	The ability of any compound of the present disclosure to reduce a Ras protein signaling output by, e.g., interfering or disrupting interaction (or binding) between SOS1 and a Ras protein can be assessed in vitro. For example, the equilibrium interaction of human SOS1 (hSOS1) with human wildtype Kras or K-Ras mutant (e.g., hK-Ras G12C mutant, or hK-RasG12C) can be assessed as a proxy or an indication for a subject compound&#39;s ability to inhibit SOS. Detection of such interaction is achieved by measuring homogenous time-resolved fluorescence resonance energy transfer (HTRF) from (i) a fluorescence resonance energy transfer (FRET) donor (e.g., antiGST-Europium) that is bound to GST-tagged K-RasG12C to (ii) a FRET acceptor (e.g., anti-6His-XL665) bound to a His-tagged hSOS1. The assay buffer can contain 5 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 1 mM DTT, 0.05% BSA, 0.0025% (v/v) Igepal and 100 mM KF. A Ras working solution is prepared in assay buffer containing typically 10 nM of the protein construct (e.g., GST-tagged hK-RasG12C) and 2 nM of the FRET donor (e.g., antiGST-Eu(K) from Cisbio, France). A SOS1 working solution is prepared in assay buffer containing typically 10 nM of the protein construct (e.g., His-hSOS1) and 10 nM of the FRET acceptor (e.g., anti-6His-XL665 from Cisbio, France). An inhibitor control solution is prepared in assay buffer containing 10 nM of the FRET acceptor without the SOS1 protein. A fixed reaction mixture with or without test compound is transferred into a 384-well plate. Ras working solution is added to all wells of the test plate. SOS1 working solution is added to all wells except for those that are subsequently filled the inhibitor control solution. After approximately 60 min incubation, the fluorescence is measured with a M1000Pro plate reader (Tecan) using HTRF detection (excitation 337 nm, emission 1: 620 nm, emission 2: 665 nm).
11247	1	TBD	TBD
11248	1	PI3K-Alpha kinase (PIK3CA) activity, wild-type and H1047R mutant and determining IC50 values for inhibitors	Recombinant, catalytically active human full length PIK3KA Wild-type and H1047R mutant were purchased as 1:1 complex of N-terminal 6×his tagged p110<(catalytic) and untagged p85<(regulatory subunit) from EMD Millipore Sigma (cat. no. 14-602M and 14-792M, respectively). The enzyme stocks were diluted to 5× stocks in buffer (20 mM HEPES pH 7.4, 100 mM NaCl, 0.5 mM EGTA, 0.01% triton-x-100) just before use. PIP2diC8 (Avanti Polar Lipids Inc., cat. no. 850185) or phosphoinositol-4,5-bisphosphate with phosphoserine (PIP2:PS) membrane (Thermo Fisher Scientific, cat. no. PV5100) was used as lipid substrates. PIP2diC8 lyophilized powder and PIP2:PS (1:19) membrane stock (1 mM in PIP2) were separately dissolved in milliQ water to a concentration of 250 uM and stored in &#8722;20° C. 10 mM stocks of compounds were serially diluted (3×) in neat DMSO and stored in a dessicator at room temperature. 5× compound stocks in 25% DMSO were prepared fresh from neat DMSO stocks. Wild-type (WT) and H1047R mutant protein, along with buffer components (except ATP), were incubated with or without compound at 27° C. for 1h. After incubation, the reaction was initiated by the addition of 5 uL of 125 uM ATP. A typical assay mixture (25 uL) comprised 40 mM HEPES buffer, pH 7.4, 25 mM MgCl2, 0.01% v/v triton-X-100, 5% v/v DMSO, 20 mM NaCl, 1-5 nM wt or H1047R, 25 uM ATP, and 50 uM PTP2diC8 or PTP2 in membrane. The reaction was allowed to proceed until about 1000 conversion (2.5 uM ADP) after which time, 10 uL of reaction mixture was quenched with 25 uL of transcreener reagent (Transcreener ADP2 FI assay kit, BellBrook labs, Cat. No. 3013). The contents were incubated at rt for 1h and fluorescence was measured using a plate reader (Paradigm, Molecular Devices). The same assay was also run at pH 6.0 or 6.4 using MOPS buffer (Fisher BioReagents, CAS 1132-61-2). A calibration curve was generated under identical buffer conditions with varying ADP amounts. Using that, the observed fluorescence was converted to uM ADP.
11249	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 minutes at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 minutes using a microplate spectrophotometer. IC50values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
11250	1	Inhibitory Activity of mTORC1	Among the compounds of the Examples 1-1 to 1-61, compounds that showed excellent inhibitory activity (inhibitory activity of 85% or more at 20 &#956;M) were selected to further evaluate the inhibitory activity of mTORC1. As a result, as shown in the Table 3, it was confirmed that each compound had an IC50 of 1 &#956;M or less, and furthermore, it was confirmed that some compounds exhibited very excellent effects of an IC50 of 100 nM or less.
11251	1	Inhibition Activity of the Compound on rhVAP-1 and MAO-A/B	Test substances: the compounds of the present invention shown in Table 1 and prepared according to the methods of the examples 1. Inhibition Activity of the Compounds on the rhVAP-1 Enzyme (1) Instrument, consumable and reagent Multifunctional microplate reader (MD, FlexStation 3), black bottom-impermeable 96-well plate (Corning), rhVAP-1 (PeproTech) (2) Preparation of Compound Concentration Gradient Solutions An appropriate amount of the test compound was dissolved in DMSO to 10 mM and stored. Before the experiment, an appropriate amount of 10 mM test compound mother liquor was diluted to 10 &#956;M solution with DMSO. Then 3-fold gradient dilution with DMSO was performed, and 10 concentration gradients were formed.(3) Preparation of Enzyme Solutions. An appropriate amount of protein diluent was added to the rhVAP-1 powder to obtain 1 mg/mL of the mother liquor for storage. Before the experiment, the dilution with PBS provided a 4×concentration of the enzyme solution.(4) Preparation of 2×Concentration Substrate Mixed Solution An appropriate amount of benzylamine was added to PBS and dissolved to obtain 200 mM of the benzylamine solution. 2 mM Amplex Red mother liquor and 500 U/mL HRP mother liquor were added. The dilution with PBS provided 2×concentration substrate mixed solution.(5) Test Method: First, 10 &#956;L of compound solutions of different concentrations, 25 &#956;L of 4×rhVAP-1 enzyme solution and 15 &#956;L of PBS were added to a 96-well plate, evenly mixed by oscillation, and incubated at 37° C. for 30 minutes. Then 50 &#956;L of 2×substrate mixed solution was added to each well, and immediately the detection was performed with the microplate reader in a condition of an exciting light at 565 nm, an emitting light at 590 nm, the fluorescence intensity for detecting each well of 5 minutes/run, and a total detection time of 25 minutes.
11252	1	Recombinant CYP Inhibition Assay	Recombinant CYP Inhibition Assay: In a drug discovery program, a rapid screening for cyctochrome P450 (CYP450) inhibitors is a part of the existing standard for avoiding the development of drugs likely to give clinical pharmacokinetic drug-drug interactions and associated toxicities. A microtiter plate-based, direct fluorometric assay for the activities of the principal human drug-metabolizing enzymes, CYP2D6 and CYP3A4 can be used and these assays are rapid and compatible with existing high-throughput assay instrumentation. Fluorometric Enzyme Inhibition Assays: Test compounds were dissolved in 100% organic solvent (CH3CN or DMSO) to make 30 mM stock solutions. Quinidine (CYP2D6 assay, Sigma Aldrich) and ketoconazole (CYP3A4 assay, Sigma Aldrich) ran as positive controls and were dissolved in 100% acetonitrile to make 1 mM stock solutions. A 100 mM potassium phosphate buffer was prepared and adjusted to pH 7.4. The 30 mM stock solution of test and control compounds (1 mM) were further diluted in phosphate buffer (100 mM, pH 7.4) to ensure the final organic solvent content was <0.2% in the reaction. In a separate falcon tube, a 2× enzyme/substrate (E/S) solution was prepared in phosphate buffer. The final concentration of CYP2D6 (Corning) and AMMC was 10 nM and 4 &#956;M, and CYP3A4 (Corning) and BFC was 20 nM and 40 &#956;M, respectively. In a separate falcon tube, a 2× NADPH regenerating system (NRS) was prepared in phosphate buffer. The final concentration for each component in the assay was as follows:CYP2D6 assay=0.008 mM NADPH, 3.3 mM glucose 6-phosphate, 0.4 U of glucose-6-phosphate dehydrogenase/mL CYP3A4 assay=2.45 mM NADPH, 24.7 mM glucose 6-phosphate, 1.25 U of glucose-6-phosphate dehydrogenase/mL.
11253	1	Biochemical Assay	The kinase reactions were performed in 384 well white ProxiPlate-384 Plus plates (PERKIN Elmer 6008280) using 25 mM MOPS assay buffer with 1 mM dithiothreitol, 25 mM MgCl2, 12.5 mM i-glycerophosphate, 5 mM EGTA, and 50 ug/mL BSA. Test compounds were prepared on the day of assay and dispensed using D300 digital dispenser as a 10-point 1/2 log dilution series in duplicate, normalised to a final DMSO concentration of 3%. Test compounds were pre-incubated for 30 min at room temperature with 10 nM IRE1alpha kinase (E31-11G from Signal Chem) in 2.5 uL of assay buffer and the reaction started by addition of 2.5 uL of ATP in assay buffer, to give a final ATP concentration of 100 uM and 5 nM IRE1alpha kinase. After 4 hours incubation at room temperature the reactions were stopped and the kinase activity determined using the ADP-Glo reagent from Promega, according to the manufacturer's instructions. Luminescence was measured on a luminometer (EnVision, PerkinElmer) and IC50 values calculated by fitting a sigmoidal curve to percent inhibition of control versus Log 10 of compound concentration.
11254	1	SPA Binding Assay	The analogs of Compounds 63-162 described herein analogously bind to RBP4 and antagonize retinol-dependent RBP4-TTR interaction. Additional piperidine compounds, which are analogs of those described in Table 1, are tested in two in vitro assays, RBP4 binding (SPA) and retinol-dependent RBP4-TTR interaction (HTRF). These piperidine compounds bind to RBP4 and antagonize retinol-dependent RBP4-TTR interaction. This activity indicates that the compounds reduce the level of serum RBP4 and retinol.
11254	2	TR-FRET Assay for Retinol-Induced RBP4-TTR Interaction	Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7 ). Bacterially expressed MBP-RBP4 and untagged TTR were used in this assay. For the use in the TR-FRET assay the maltose binding protein (MBP)-tagged human RBP4 fragment (amino acids 19-201) was expressed in the Gold(DE3)pLysS E. coli strain (Stratagene) using the pMAL-c4x vector. Following cell lysis, recombinant RBP4 was purified from the soluble fraction using the ACTA FPLC system (GE Healthcare) equipped with the 5-ml the MBP Trap HP column. Human untagged TTR was purchased from Calbiochem. Untagged TTR was labeled directly with Eu3+ Cryptate-NHS using the HTRF Cryptate Labeling kit from CisBio following the manufacturer&#39;s recommendations. HTRF assay was performed in white low volume 384 well plates (Greiner-Bio) in a final assay volume of 16 &#956;l per well. The reaction buffer contained 10 mM Tris-HCl pH 7.5, 1 mM DTT, 0.05% NP-40, 0.05% Prionex, 6% glycerol, and 400 mM KF. Each reaction contained 60 nM MBP-RBP4 and 2 nM TTR-Eu along with 26.7 nM of anti-MBP antibody conjugated with d2 (Cisbio). Titration of test compounds in this assay was conducted in the presence of 1 &#956;M retinol. All reactions were assembled in the dark under dim red light and incubated overnight at +4° C. wrapped in aluminum foil. TR-FRET signal was measured in the SpectraMax M5e Multimode Plate Reader (Molecular Device). Fluorescence was excited at 337 nm and two readings per well were taken: Reading 1 for time-gated energy transfer from Eu(K) to d2 (337 nm excitation, 668 nm emission, counting delay 75 microseconds, counting window 100 microseconds) and Reading 2 for Eu(K) time-gated fluorescence (337 nm excitation, 620 nm emission, counting delay 400 microseconds, counting window 400 microseconds). The TR-FRET signal was expressed as the ratio of fluorescence intensity: Flu665/Flu620×10,000.
11255	1	JAK Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model.
11256	1	Biochemical Assays for IDH1 and IDH2 Mutant Enzymes	IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of &#945;KG to 2HG. 2HG is analyzed using in-line solid phase extraction and mass spectrometry. This analysis is carried out in a RapidFire instrument coupled to a 6460 triple quadrupole mass spectrometer (G6460A Agilent). IDH1 mutant (R132H and R132C) and IDH2 mutant (R140Q and R172K) proteins containing N-terminal His-tag are expressed in E. coli and purified using nickel affinity chromatography. The enzyme assays are carried out in V-bottom 96 well polypropylene plates containing 100 mM Tris-HCl buffer, 1 mM DTT, 0.005% TRITON X-100, 120 mM NaCl. For IDH1 R132H, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 300 &#956;M, 2.5 &#956;M and 300 &#956;M respectively. For IDH1 R132C, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 100 &#956;M, 10 &#956;M and 100 &#956;M respectively. For IDH2 R172K, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 150 &#956;M, 10 &#956;M and 150 &#956;M respectively. For IDH2 R140Q, &#945;-ketoglutarate, NADPH and MnCl2 are included at final concentrations of 3000 &#956;M, 10 &#956;M and 100 &#956;M respectively. Final pH=7.0. Test compound dissolved in DMSO stock is diluted in the reaction mix at a final DMSO concentration of 4%. Compounds are tested in dose-response format. The assay is started by addition of enzyme. Enzymes are used at the following final concentrations: IDH1 R132H, 2 nM; IDH1 R132C, 0.5 nM; IDH2 R172K, 1.2 nM; IDH2 R140Q, 1.2 nM. After 90 minutes the reaction is quenched by adding ACN (50:50) containing 3-hydroxy-1,5-pentanedioic-2,2,3,4,4-d5acid (5d5-3HG) as an internal standard for mass spectrometry analysis and quantitation of reaction product. 2-Hydroxyglutarate (2HG) in quenched samples is separated using strong anionic exchange column chromatography (Phenomenex Strata-X-A SecurityGuard) and analyzed by mass spectrometry in a 6460 triple quadrupole mass spectrometer (G6460A Agilent). The 2HG signal detected is transformed into an analyte concentration using a calibration curve generated using known 2HG concentrations. For each compound tested, the % inhibition is calculated using a DMSO control sample as 0% inhibition and a no enzyme control as 100% inhibition.
11257	1	Radioligand Assay	To investigate binding properties of test compounds to human &#963;1 receptor, transfected HEK-293 membranes and [3H](+) -pentazocine (Perkin Elmer, NET-1056), as the radioligand, were used. The assay was carried out with 7 &#956;g of membrane suspension, 5 nM of [3H](+)-pentazocine in either absence or presence of either buffer or 10 &#956;M Haloperidol for total and non-specific binding, respectively. Binding buffer contained Tris-HCl 50 mM at pH 8. Plates were incubated at 37° C. for 120 minutes. After the incubation period, the reaction mix was then transferred to Multiscreen HTS, FC plates (Millipore), filtered and plates were washed 3 times with ice-cold 10 mM Tris-HCL (pH 7.4). Filters were dried and counted at approximately 40% efficiency in a MicroBeta scintillation counter (Perkin-Elmer) using EcoScint liquid scintillation cocktail Results: As this invention is aimed at providing a compound or a chemically related series of compounds which act as ligands of the &#963;1 receptor it is a very preferred embodiment in which the compounds are selected which act as ligands of the &#963;1 receptor and especially compounds which have a binding expressed as Ki which is preferably <1000 nM, more preferably <500 nM, even more preferably <100 nM.
11258	1	ADP-Glo kinase assay	HPK1 kinase activity was measured by Promega&#39;s ADP-Glo kinase assay. In this assay, 5 ng of recombinant human HPK1 (signalchem) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of MBP (0.5 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 5 &#956;M DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30&#8242; C for 40 minutes. After the incubation, 25 uL ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 uL per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and SigmaPlot13.0.
11260	1	In Vitro Competitive Activity-Based Protein Assay	Proteomes (mouse brain membrane fraction for mouse assays; human prefrontal cortex membrane fractions for human assays) (50 mL, 1.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh (1.0 mL, 50 mM in DMSO) was added and the mixture was incubated for another 30 min at 37° C. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL and FAAH using ImageJ 1.43u software.
11261	1	Fluorescence Assay for Recombinant Human (RH) DPP	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1. Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC50were determined using a 4-parameter logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener ).
11262	1	Enzyme-linked immunosorbent assay (ELISA)	Enzyme reaction substrate Poly(Glu, Tyr) 4:1 was diluted to 20 &#956;g/mL with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH 7.2-7.4), and the microtiter plate was coated with 125 &#956;L/well and placed at 37° C. for 12-16 hours of reaction. The liquid in the well was discard. The plate was washed three times with T-PBS (potassium-free PBS containing 0.1% Tween-20, 200 &#956;L/well), 5 minutes each time. The ELISA plate was dried in an oven at 37° C. for 1 to 2 hours.
11263	1	Phosphodiesterase 10 (PDE10) Enzyme Activity Assay	PDE10A1 enzyme activities are measured with a yittrium silicate based scintillation proximity assay (SPA) that detects radioactive nucleotide monophosphates but not cyclic monophosphates. The assay buffer is composed of 50 mM Tris-HCl pH 7.5, 8 mM MgCl2, 3.4 mM EDTA, and 0.1% BSA (Sigma). Assays are conducted in 384 well plates (3706, Corning) in a total volume of 50 &#956;l: comprised of 24 &#956;l PDE10A1 enzyme, 1 &#956;l test compound and 25 &#956;l of cyclic nucleotide. Test compounds are diluted in pure DMSO using ten-point concentration response curves with a 3-fold dilution factor and 1 &#956;l is acoustically dispensed into assay plates using the Echo555 (LabCyte). 24 &#956;l PDE10A1 protein is incubated with 1 &#956;l compound for 30 min before the reaction is started by the addition of [8-3H]-cGMP substrate (6.5 Ci/mmol, Perkin Elmer). Final concentration of components is 70 &#956;M PDE10A1, 80 nM (3H-cGMP), and 2% DMSO in assay buffer. Maximal compound concentration in the reaction mixture is 10 &#956;M. Reactions are incubated for 60 min at RT before quenching and the addition of 400 mg/per well SPA beads (RPNQ0150, Perkin Elmer). Bead bound radioactivity (product) is quantified 12 h later with a Microbeta counter (Perkin Elmer). Data is normalized to % inhibition and IC50 values are calculated using the 4 parameter logistic equation as described (Campbell R. M.; Dymshitz, J.; Eastwood, B. J.; et al. Data Standardization for Results Management. In: Sittampalam, G. S.; Grossman, A.; Brimacombe, K.; et al.; eds.<i>Assay Guidance Manual. Bethesda (Md.): Eli Lilly & Company and the National Center for Advancing Translational Sciences; 2004.).
11264	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 ml for 1 h at 30 ° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GFB filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments. The compounds of formula (I) show an excellent affinity for the CB2 receptor.
11265	1	Pharmacological Activity Assay	1. Effect of Compounds on Activities of HIF Prolyl Hydroxylase-2 Activities of HIF prolyl hydroxylase was determined according to the method as described in Anal Biochem, 2004, 330: 74-80, which was slightly modified. A 96-well plate was pretreated with blocker casein and 1 mM biotin for 30 minutes, and then biotin-linked HIF-1&#945;556-574 (biotinyl-DLDLEMLAPYIPMDDDFQL) was immobilized on the 96-well plate. The 96-well plate was then filled with an appropriate amount of HIF-PHD2-containing buffer (20 mM Tris (pH 7.5), 5 mM KCl, 1.5 mM MgCl2, 20 mM 2-oxoglutarate, 10 mM FeSO4, 2 mM ascorbic acid, 4% EDTA-free protease inhibitor) and was incubated for 1 to 60 minutes at RT. The reaction mixture also contained different concentrations of HIF prolyl hydroxylase inhibitors to be tested. The reaction was stopped by rinsing the 96-well plate three times with washing buffer. In 100 &#956;l binding buffer (50 mM tris(hydroxymethyl)-aminomethane, pH 7.5, 120 mM NaCl), hydroxylated HIF-1&#945;556-574 was reacted with Eu-VBC protein in the binding buffer at RT for 60 minutes. The reaction solution was aspirated, and the unbound Eu-VBC protein was washed away by washing 3 times with an elution buffer. Subsequently, 10 &#956;l of rabbit anti-Eu-VBC polyclonal antibody was added. After further 30 minutes, 10 &#956;l of anti-rabbit polyclonal antibody immunoglobulin coupled to horseradish peroxidase was added to the binding buffer. To determine the amount of bound Eu-VBC protein, it was incubated with TMB for 15 minutes. The color reaction was terminated by addition of 100 &#956;l of 1 M sulfuric acid. The amount of bound Eu-VBC protein was determined by measuring optical density at 450 nm, which was proportional to the amount of hydroxylated proline in the peptide substrate.
11266	1	JAK Family Caliper Enzyme Assay	Compounds of the invention were evaluated by in vitro methods to determine their respective ability to inhibit the JAK kinases (TYK2, JAK1, JAK2, JAK3). Inhibitory activity was determined by using a microfluidic assay (LabChip 3000 mobility shift technology, Caliper Life Science) to monitor phosphorylation of a synthetic peptide by the recombinant human kinase domain of each of the four members of the JAK family, JAK1, JAK2, JAK3 and TYK2. Reaction mixtures contained 1 &#956;M of a fluorescently labeled synthetic peptide, a concentration less than the apparent Km, and 1 mM ATP. Compounds in DMSO solution were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20 , 1 mM ATP and 1 &#956;M peptide substrate. The JAK1 and TYK2 assays contained 1 &#956;M of the IRStide peptide (5FAM-KKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 &#956;M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20% to 30% phosphorylation. The assays were stopped with 15 &#956;L of 180 mM HEPES, pH 7.4, 20 mM EDTA, and 0.2% Coating Reagent 3. The assay plates were placed on a Caliper Life Science LC3000 instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
11267	1	Determination of Biochemical BTK	1. Reagents and Materials: BTK recombinant protein: Invitrogen, Cat #PV3363;Z&#8242;-LYTE kinase test kit-tyrosine 1 peptide: Invitrogen, Cat #PV3190;384-well low-flange black flat-bottomed polystyrene NBS microplate, no lid, no sterilization: Corning, Cat #3575;96-well polystyrene conical-bottomed MicroWell plate, sealed with a lid: Thermo Scientific Nunc , Cat #277143;Envision multi-mode plate reader: PerkinElmer; Mixmate shaker: Eppendorf;TS-2102 shaking incubator: TENSUC; 2. Methods: Z&#8242;-LYTE biochemical assay employs a fluorescence resonance energy transfer (FRET)-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. Both ends of the short peptide substrate are labeled with two fluorescent groups to form a FRET paired combination. In the primary reaction (the Kinase Reaction), the kinase transfers the &#947;-phosphate of ATP to a single serine or threonine residue on the short peptide substrate. In the secondary reaction (the development reaction), the non-phosphorylated short peptides were recognized and cleaved by a site-specific protease (the development reagent).
11268	1	Scintillation Proximity Assay (SPA) Binding Assay	CHO cells stably transfected with human Orexin type 1 receptors (CHO-hOX1) or HEK-293 cells transiently transfected with human Orexin type 2 receptors (HEK-hOX2) were collected after 16 h induction with 5 mM sodium butyrate. The cell pellets were re-suspended, homogenized in 15 mM Tris/HCl pH=7.5, 1 mM EGTA, 0.3 mM EDTA, 2 mM MgCl2, protease inhibitors and centrifuged at 40,000 g (20 min, 4° C.). After re-suspension, homogenization and centrifugation as above, the final pellets were re-suspended in 75 mM Tris/HCl pH=7.5, 1 mM EGTA, 0.3 mM EDTA, 12.5 mM MgCl2, 250 mM Sucrose, protease inhibitors, divided into aliquots and frozen down at &#8722;80° C.Compounds of invention were serially diluted in neat DMSO at 100-fold concentrations (1% DMSO final in the assay) and 2 &#956;l/well were plated into 96-well Isoplates (Perkin Elmer).
11269	1	Metabolic Measurements	Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 hours and then injected with 20% D-glucose (2 mg/g body weight) and the blood glucose was monitored immediately before and at 15, 30, 60 and 120 mins following the injection. For insulin tolerance tests (ITTs), 4-h fasted animals were given insulin (0.75 mU/g) and blood glucose was measured immediately before and at 30, 60 and 120 minutes postinjection. Serum insulin, cholesterol, triglycerides (Stanbio Labs, TX), BDNF (Abnova), IGF1 and IGFBPs (R&D Systems) were determined by enzyme-linked immunosorbent assay.
11270	1	Enzymatic Activity Assay	For the assay, the following buffer was used to set up reactions: 50 mM Tris-HCl pH9, 50 mM NaCl, 0.01% Tween-20 and 1 mM DTT (added fresh prior to starting the reactions). The assay is set up by adding a final concentration of 0.15 nM G9a, 15 uM S-adenosyl-methionine and 100 nM biotinylated histone 3 peptide (1-21). The reaction is incubated at rt for 1 hour and subsequently quenched with the acceptor beads (anti-H3k9me2 AlphaLISA acceptor beads, Perkin Elmer #AL117) at a final concentration of 20 ug/mL. The acceptor beads are incubated for 1 hour. After 1 hour, the donor beads are added at a final concentration of 20 ug/mL (Alpha Streptavidin donor beads, PerkinElmer #6760002). Donor beads are incubated for 0.5 hours. Both donor and acceptor beads are resuspended in AlphaLISA 5X Epigenetics Buffer 1 Kit (PerkinElmer #AL008) prior to addition to the reaction. All manipulations and incubations with the donor and acceptor beads are done in subdued light. Signal is detected in an EnVision plate reader in Alpha mode.
11271	1	Enzymatic Assay for MASP-2	The MASP-2 assay protocol is carried out as follows. Test compounds are serially diluted in DMSO and then 100 nL of each dilution is transferred to the assay plate(s). 10 &#956;L of Assay Buffer is added, followed by 15 &#956;L of Enzyme MASP-2 (CCP1-CCP2-SP) in Assay Buffer. 15 &#956;L of Substrate in Assay Buffer is then added and mixed to start the reactions. After 20 min at room temperature, 15 &#956;L of a stop solution (0.1 M acetic acid) is added, mixed and the plates are read on a SpectraMax i3x Microplate Reader and exported as Excel files. Each assay plate included a no inhibitor (DMSO Only) control, a no enzyme control and a reference inhibitor control. % Activity values=100*(average test comp. fluorescence&#8722;average no enzyme fluorescence)/(average DMSO only fluorescence&#8722;average no enzyme fluorescence).
11272	1	ITK Enzyme Assay	1.0M HEPES Buffer pH 7.5 solution was prepared as follows: 238.3 g HEPES free acid (Sigma) and 800 mL of water were combined, and the mixture was stirred until complete dissolution. The pH was adjusted to 7.5 via titration with 5N NaOH and the volume adjusted to 1000 mL. The solution was filtered and sterilized. ITK assay buffer was prepared as follows: 50 mL of HPLC-grade water was treated with 2 mL of 1.0M HEPES Buffer, 500 &#956;L of 2% Gelatin (Sigma), 1.0 mL of aqueous MgCl2 solution (1.0M), and 1.0 mL of aqueous glutathione solution (0.5M), and the solution was mixed. The solution was brought to 99 mL in a graduated cylinder by addition of water and sterilized through a 0.2 &#956;m filter. 0.1 mL of Brij-35 Surfact-Amps Detergent Solution (10% w/v aqueous solution, ThermoFisher) and 1.0 mL of ATP (Teknova,100 mM) were added and the solution was mixed. Preparation of 1.33× ITK enzyme solution was as follows: 49.99 mL of ITK assay buffer was treated with 4.1 &#956;L of ITK enzyme (ITK FL (N-Flag and C-His tagged, 72 kDa) Lake Pharma, 0.25 mg/ml in a buffer containing 25 mM Tris pH 7.8, 150 mM NaCl, 10% glycerol and 2 mM TCEP) and the mixture was gently agitated. The resulting solution was stored on ice. 30 Minutes prior to use, the enzyme solution was removed from ice and equilibrated to RT by incubation in a RT water bath. Preparation of 4× ITK substrate solution was as follows: 50 mL of ITK assay buffer was treated with 100 &#956;L of BTK peptide (China Peptide Company, 2 mM stock solution in DMSO). The tube was capped, mixed by gently inverting the tube, and then stored on ice. 30 Minutes prior to use, the substrate solution was removed from ice and equilibrated to RT by incubation in a RT water bath.At the time of assay, 7.5 &#956;L of the 1.33× ITK enzyme solution was added to plate wells containing 0.1 &#956;L of varying concentrations of test compound in DMSO. The plate was incubated 30 min at RT. The plate wells were each treated with 2.5 uL of the 4× ITK substrate solution and the plate was sealed (TopSeal , Perkin Elmer). The plate was spun at 1000 rpm for 30 sec and then incubated for 60 min at RT. The seal was removed, and each well was treated with 10 &#956;L of Stop/Detect Buffer (20 mM HEPES pH 7.5, 0.01% gelatin, 1 nM LANCE PT66 (Perkin Elmer), 16.5 &#956;g/ml Surelight APC (Perkin Elmer), 10 mM EDTA, 250 mM NaCl). The plate was again covered and was spun at 1000 rpm for seconds. The plate was allowed to incubate overnight at RT and in a closed carrier to reduce dehydration. 
11273	1	JAK2 LanthaScreen JH1 Binding Assay	JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein in a baculovirus expression system (Carna Biosciences, Product #08-445-20N). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH1 (1.5 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH1 Tracer and 0.5 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 2 hours at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11273	2	JAK2 LanthaScreen JH2-WT Binding Assay	JAK2 JH2-WT binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human Wild Type JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79463). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-WT (0.145 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11273	3	JAK2 LanthaScreen JH2-V617F Binding Assay	JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mutant JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79498). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-V617F (0.26 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11273	4	JAK2 HTRF Enzyme Activity Assay	JAK2 enzyme activity assays utilize catalytic domain (JH1, amino acids 808-1132) of human JAK2 expressed as N-terminal His-tagged protein in a baculovirus expression system (BPS Bioscience, Catalog #40450). The assays was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 (0.015 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of ATP (30 &#956;M or 1 mM) and 500 nM Biotin-labeled EQEDEPEGDYFEWLE (SEQ ID NO.: 1) peptide (BioSource International, custom synthesis) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT) for 60 minutes at 25° C. The reactions were stopped by the addition of 10 &#956;L of detection buffer (50 mM Tris, pH 7.8, 0.5 mg/mL BSA, 150 mM NaCl), supplemented with EDTA, LANCE Eu-W1024 anti-phosphotyrosine (PY20), (PerkinElmer, Catalog #AD0067) and Streptavidin SureLight APC (PerkinElmer Catalog #CR130-100), for a final concentration of 15 mM, 1.5 nM and 75 nM, respectively. HTRF signals were read after 30 minutes incubation at room temperature on a PHERAstar FS plate reader (BMG LABTECH).
11274	1	RET and KDR Enzyme Assay	Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1×CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer was used for the KDR biochemical assay with the addition of 2 mM MnCl2. Inhibitors were pre-incubated in the plate for 15 mins with 5 &#956;L kinase and assay buffer at the following concentrations; 13 pM RET (Carna Biosciences; 08-159) and 150 pM KDR (Millipore; 14-630). The reaction was initiated by the addition of 5 &#956;L ATP and substrate at 2× final reaction concentrations. For RET, this was 18 &#956;M and 2 &#956;M; for KDR, this was 16 &#956;M and 1 &#956;M, respectively. Reactions were performed at ATP Km for each target. The assay was allowed to proceed at room temperature for 20 mins before terminating with the addition of 10 &#956;L HTRF detection buffer containing EDTA supplemented with TK-antibody labelled with Eu3+-Cryptate (1:100 dilution) and streptavidin-XL665 (128 nM). Following incubation at room temperature for 1 hour, FRET signal was measured using the Pherastar FS Microplate Reader.
11275	1	Biochemical assay	Biochemical assays to measure the inhibitory effects of the compounds were performed by ThermoFisher Scientific (Life Technologies). ALK2 inhibition was tested using LanthaScreen Eu Kinase Binding Assay screening protocol.
11276	1	FLIPR Assay	The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by serial dilution steps in 100% DMSO. Dilution factor and number of dilution steps may vary according to needs. Typically 8 different concentrations by 1:5 dilutions are prepared, further intermediate dilutions (1:20) of the substances are carried out with HBSS/HEPES buffer (1×HEPES, Cat. 14065 from Gibco, 20 mM HEPES, Cat. 83264 from SIGMA, 0.1% BSA Cat. 11926 from Invitrogen, pH 7. At the assay day cells are washed 3× with assay puffer, 20 &#956;L buffer remaining in the wells after washing. 10 &#956;L Ca6 kit (Cat. R8191 MolecularDevices) loading buffer in HBSS/HEPES is added to the cells and the plates are incubated with lid for 120 minutes at 37°/5% CO2. 10 &#956;L of compound or controls in HBSS/HEPES buffer/5% DMSO from the intermediate dilution plate are carefully added to the wells. Luminescence (indicating the calcium influx or release) is read on the FLIPRtetra device for 10 minutes to monitor the compound induced effects (e.g. agonism). Finally 10 &#956;L of the agonist AITC 50 &#956;M dissolved in HBSS/HEPES buffer/0.05% DMSO (final concentration 10 &#956;M) is added to the wells followed by an additional read on the FLIPRtetra device for 10 minutes.
11277	1	MATE2-K IC50 Assay	MATE2-K (multidrug and toxin extrusion protein 2) is expressed in the apical membrane in the kidney and mediates the elimination of compounds to urine. MDCK-II cells were maintained in DMEM with low glucose and 10% FBS. Cells passages up to 40 were seeded at 60K±10K cells/well on 96-well, transwell membrane plates approximately 24 hours before transfection. Transport assays were carried out approximately 48 hours after transfection. On assay day, the DMEM was removed, and cells were washed with HBSS. After washing, the cells in each well were pre-incubated with HBSS containing 30 mM NH4Cl and either vehicle, the compound being tested at 6 concentrations ranging from 0.127 &#956;M to 40 AM, or 100 &#956;M cimetidine as a reference inhibitor. The assay plate was then placed in a 37° C. incubator with orbital shaking at approximately 60 RPM for the pre-incubation time of 15 minutes. The pre-incubation solutions were then removed, and cells washed with HBSS once. 100 &#956;L of incubation buffer was added to each well containing HBSS with 10 &#956;M 14[C]-metformin as the probe substrate and either vehicle control, the compound being tested (at 6 concentrations ranging from 0.127 &#956;M to 40 &#956;M) or reference inhibitors. The assay plate was incubated at 37° C. with orbital shaking at approximately 60 RPM for the incubation time of 5 minutes. At end of the 5-minute incubation, 15 &#956;L of dosing solution was removed from each well containing the compound being tested and measured using LC/MS/MS for dose recovery assessment. The assay wells were then washed four times with ice cold PBS. 60 &#956;L cell extraction solution was added to each well and the plate was incubated at 37° C. with orbital shaking at approximately 60 RPM for the 15 minutes. After this incubation, 30 &#956;L was removed from each well, added to 200 &#956;L scintillation fluid, and counted on a 1450 Microbeta (Perkin-Elmer) to measure the probe substrate uptake. Inhibition potential of the compound being tested was calculated by dividing the transporter-mediated uptake rate in presence of the compound being tested or the reference inhibitor by the transporter-mediated uptake rate in presence of vehicle control and fitted to a sigmoidal function to determine the IC50 values.
11278	1	Inhibitory Activity to HPTP-&#946;	Non-limiting examples of the HPTP-&#946; IC50(&#956;M) activity for illustrative compounds are listed in TABLE 2.
11279	1	STING-Binding Assay	The above-mentioned biotinylated STING protein (wild-type (WT)) was prepared by the following method. The culture solution was centrifuged, the obtained fungus bodies were suspended in Lysis Buffer (50 mM TrisHCl, 150 mM NaCl, 20 mM Imidazole, 1 mg/mL Lysozyme, 5 U/mL SEM Nuclease, recombinant, Complete EDTA-free, pH7.6), and the protein was extracted by ultrasonic fragmentation. The reagent was added thereto so that the salt concentration of the extract was adjusted to 300 mM NaCl, and the supernatant was collected by centrifugation. The obtained supernatant was passed through NiNTA superflow Cartridge equilibrated with Wash Buffer (50 mM TrisHCl, 300 mM NaCl, 20 mM Imidazole, pH7.6), and the Cartridge was washed with Wash Buffer, and eluted with Elution Buffer (50 mM TrisHCl, 300 mM NaCl, 250 mM Imidazole, pH7.6). The eluate was passed through HiLoad 26/60 Superdex 200 pg column equilibrated with Storage Buffer (50 mM TrisHCl, 150 mM NaCl, pH7.6), and the eluted fraction was collected as biotinylated His-Avi-SUMO-FLAG-hSTING (139-379, H232R). The protein concentration was measured using BCA protein assay kit, and the fraction was cryopreserved at &#8722;80° C. until used.
11280	1	Fluorescence Assay for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of amino methyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1 Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC<sub>50 </sub>were determined using a 4-paramater logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener ). A standard DPP1 inhibitor, 4-amino-N-[(1S)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control and 1% (v/v) DMSO was used as a negative control in the assay.
11281	1	Enzymologic Experiment of FGFR4	In this experiment, the inhibitory effect of the compounds on FGFR4 kinase activity was tested by a fluorescence resonance energy transfer (TR-FRET) method, and the half maximal inhibitory concentration (IC50) of the compounds on the FGFR4 kinase activity was determined. 1) 1 5 &#956;L of FGFR4 enzyme solution was added to a 384-well plate, and the final concentration of the enzyme was 0.1 5 nM. 2) 1 5 &#956;L of diluted solution in gradient of the compound was added. 3) 1 5 &#956;L of a substrate mixture containing substrate polypeptide with a final concentration of 5 50 nM and ATP with a final concentration of 10 200 &#956;M was added. 4) The mixture was incubated for 0.5 3 hours at room temperature. 5) 10 &#956;L of EDTA and a test solution comprising labeled antibody were added, and the plate was incubated for 1 hour at room temperature. 6) The fluorescence signal values of each plate were determined by a microplate reader at 665 nm. 7) The inhibition rates were calculated according to the fluorescence signal values.
11281	2	Enzymologic Experiment of FGFR1	In this experiment, the inhibitory effect of the compounds on FGFR1 kinase activity was tested by a fluorescence resonance energy transfer (TR-FRET) method, and the half maximal inhibitory concentration (IC50) of the compounds on the FGFR1 kinase activity was determined. 1) 1 5 &#956;L of FGFR1 enzyme solution was added to a 384-well plate, and the final concentration of the enzyme was 0.1 5 nM. 2) 1 5 &#956;L of diluted solution in gradient of the compound was added. 3) 1 5 &#956;L of a substrate mixture containing substrate polypeptide with a final concentration of 5 50 nM and ATP with a final concentration of 10 200 &#956;M was added. 4) The mixture was incubated for 0.5 3 hours at room temperature. 5) 10 &#956;L of EDTA and a test solution comprising labeled antibody were added, and the plate was incubated for 1 hour at room temperature. 6) The fluorescence signal values of each plate were determined by a microplate reader at 665 nm.7) The inhibition rates were calculated according to the fluorescence signal values.
11282	1	Kinase Assay	Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief, for each reaction, kinase and substrate were mixed in a buffer containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO. All compounds were solubilized in DMSO. Compounds were then added to each reaction mixture via acoustic dispense using an ECHO 550 nanoliter dispenser. For human RAF1 testing, human MEK1 (K97R) was used as a substrate at a concentration of 3 micromolar, with a final ATP concentration of 10 micromolar. For human BRAF testing, human MEK1 (K97R) was used as a substrate at 1 micromolar concentration, with a final ATP concentration of 25 micromolar. Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution starting at 10 micromolar. After a 20-min incubation, ATP (Sigma-Aldrich, St. Louis, Mo. 63178) and [g33P] ATP (specific activity 10 microCi/microliter) purchased at PerkinElmer (Boston, Mass., 02118 Cat #BLU 003H250UC) were added at a final total concentration of 10 mM. Reactions were carried out at room temperature for 2 hr and spotted onto P81 ion exchange cellulose chromatography paper (Reaction Biology). Filter paper was washed in 0.75% phosphoric acid to remove unincorporated ATP. The percent remaining kinase activity relative to a vehicle-containing (DMSO) kinase reaction was calculated for each kinase/inhibitor pair.
11283	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was measured in an enzyme assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.5 &#956;L was transferred to the wells of a 384-well plate. For FGFR3, a 10 &#956;L volume of FGFR3 enzyme (Millipore) diluted in assay buffer (50 mM HEPES, 10 mM MgCl<sub>2</sub>, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated for a time between 5-10 minutes and up to 4 hours. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The assay was initiated by the addition of a 10 &#956;L solution containing biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP (final concentrations of 500 nM and 140 &#956;M respectively) in assay buffer to the wells. The plate was incubated at 25° C. for 1 hr. The reactions were ended with the addition of 10 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 30 mM EDTA with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 1 hr before scanning the wells on a PheraStar plate reader (BMG Labtech).</p><p id="p-0439" num="0438">FGFR1, FGFR2, and FGFR4 are measured under equivalent conditions with the following changes in enzyme and ATP concentrations: FGFR1, 0.02 nM and 210 uM respectively, FGFR2, 0.01 nM and 100 uM, respectively, and FGFR4, 0.04 nM and 600 uM respectively. The enzymes were purchased from Millipore or Invitrogen.
11284	1	Biochemical JAK Kinase Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
11285	1	Binding to Nicotinic Receptor Subtypes	The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the &#945;4&#946;2, the &#945;3&#946;4 and &#945;7. The protocol for these tests is set out below, and the results are provided at Table 1 below. Binding to Heterologously Expressed_&#945;4&#946;2 and &#945;3&#946;4 Human SubtypesHEK 293 cells were grown in Dulbecco&#39;s modified Eagle medium supplemented with 10% fetal bovine serum, 1% L-Glutamine, 100 units/ml penicillin G, and 100 &#956;g/streptomycin in a humidified atmosphere containing 10% CO2. The cDNAs encoding &#945;3 and &#946;4 or &#945;4 and &#946;2 (were transfected into the HEK 293 cells at 30% confluency). The cell transfections were carried out in 100 mm Petri dishes using 30 &#956;L of JetPEI (Polypus, France) (1 mg/ml, pH 7.2) and 3 &#956;g of each cDNA. After 24 h transfection, the cells were collected, washed with PBS by centrifugation, and used for binding analysis.[3H]-epibatidine saturation binding experiments to HEK transfected &#945;3&#946;4 or &#945;4&#946;2 receptors were performed by means of overnight incubation at 4° C. at concentrations ranging from 0.005 to 1 nM in a buffer containing 50 mM Tris-HCl, pH 7, 150 mM NaCl, 5 mM KCl, 1 mM MgCl2, 2.5 mM CaCl2and 2 mg/ml BSA, in the presence (aspecific binding) or absence (total binding) of 100 nM cold epibatidine. Specific ligand binding was defined as total binding minus the binding in the presence of 100 nM cold epibatidine.
11286	1	Biochemical Assay using the ADP-Glo	ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate. A 500 ml stock volume of 5× Reaction Kinase Buffer was made by mixing 1000 &#956;l of 1M MgCl2, 500 &#956;l of 1M Tris-HCL pH7.4, 0.5 mg/ml (25 mg) of BSA, and 3475 &#956;l of distilled H2O. A 3 ml 2× working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT and 4 mM MnCl2.Components of RIPK1 enzyme (Rigel Pharmaceuticals, South San Francisco, Calif., USA) were thawed on ice. Diluted RIPK1 was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer) to 31 ng/well. A 166 &#956;M working stock ATP assay solution was prepared in 1× Kinase Reaction Buffer (diluted from 2× buffer). Compounds were serially diluted in DMSO from 250 uM in 4-fold dilutions then diluted 1:5 in 2× Reaction Buffer in a 96 well plate. 1.0 ul of diluted compound was added to a 384 well plate in duplicate. 2 &#956;l of diluted Active RIPK1 was added to 384 well plate (do not add to column 1) add 2× r×n buffer to column 1. AKT (Anaspec, Fremont, Calif., USA) at 150 nM was combined with ATP working stock at equal volume and 2 ul/well were added to the 384 well plate. The final reaction volume was 5.0 &#956;l. The plate was quickly centrifuged and the reaction was incubated at 30° C. for 30 minutes. Adding 5 &#956;l of ADP-Glo&#153; terminated the reaction. The plate was quickly centrifuged and the reaction was incubated at room temperature for 40 minutes. Kinase Detection Reagent was then added and incubated at room temperature for 30 minutes. The relative light unit (RLU) of kinase reaction was determined by luminescent (Luminescence 0.1 s) using a Wallac Victor2 Luminometer (PerkinElmer, Waltham, Mass., USA).
11287	1	Human Orexin 2 Receptor Radioligand Binding Studies	HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in DMEM, 10% FBS, 1× Pen/Strep, 1× NaPyruvate, 1×HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moravek Corporation, specific activity=27 Ci/mmol), diluted to a 20 nM concentration in PBS (5 nM final concentration). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnaphthalene-1-carboxamide, CAS Registry #1089563-88-1). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-EMPA diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
11287	2	Human Orexin 1 Receptor Radioligand Binding Studies	Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1× Pen/Strep, 600 &#956;g/mL G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco&#39;s Phosphate Buffered Saline 1× with Calcium and Magnesium, Cat #SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K×G, 10 min at 4° C.), the supernatant was aspirated and the pellets frozen and stored at &#8722;80° C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and vortexed for 45 sec prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-SB674042 (Moravek Corporation, specific activity=35.3 Ci/mmol), diluted to a 10 nM concentration in PBS (4 nM final). Compounds were solubilized in 100% DMSO (Acros Organics, Cat. #61042-1000) and tested over a range of 7 concentrations (from 0.1 nM to 10 &#956;M). The final concentration of DMSO in the reactions is equal to or less than 0.1%. Total and nonspecific binding was determined in the absence and presence of 10 &#956;M (1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea, CAS Registry #288150-92-5). The total volume of each reaction is 200 &#956;L (20 &#956;L of diluted compounds, 80 &#956;L of [3H]-SB674042 diluted in PBS and 100 &#956;L of the cell suspension). Reactions were run for 60 min at room temperature and terminated by filtration through GF/C filter plates (PerkinElmer, Cat. #6005174) presoaked in 0.3% polyethylenimine using the cell harvester (PerkinElmer Filtermate). The plates were washed 3 times by aspirating 30 ml PBS through the plates. Plates were dried in 55° C. oven for 60 min, scintillation fluid was added, and the radioactivity was counted on a Topcount (Packard).
11288	1	Biochemical Assay	Buffer pH7.4: Prepare 1 (M) KH2PO4 and 1 (M) K2HPO4. Titrate 1(M) K2HPO4 with 1 (M) KH2PO4 to obtain pH 7.40. Dilute this buffer 10 fold in Water (30 ml buffer+270 ml of water) to obtain 100 mM phosphate buffer. Adjust pH to 7.40±0.02 using 5(N) HCl or 5(N) NaOH. NADPH Regeneration System (NRS): Prepare a solution containing 13 mM NADP, 33 mM Glucose-6-phosphate, 33 mM MgCl2and 4 U/ml Glucose-6-phosphate dehydrogenase in buffer. Liver Microsome (LM) suspension: Thaw LM vial on ice, then mix 1.0 ml LM (20 mg/ml) with 19 ml buffer [final LM Conc: 1 mg/ml] LM+NRS suspension: Mix 5.0 ml NRS with 20 ml LM suspension [final LM Conc: 0.8 mg/ml] System suitability standard: a synthesized compound having Mol wt 686.2 used as System suitability standard. Dissolve this compound in ice-cold acetonitrile to obtain concentration of 0.1 &#956;g/ml and store at 4° C. Compound Dilution: Compound Stock: 10 mM in DMSO Sub stock (100 &#956;M): 4 &#956;l of 10 mM Compound Stock+398 &#956;l Acetonitrile. Working plate (2 &#956;M): 10 &#956;l of 100 &#956;M Sub stock+490 &#956;l buffer Assay Procedure Incubate all plastic materials including tips at 37° C. overnight. Incubate LM suspension and NRS at 37° C. for 15 min before use. Add 40 &#956;l buffer to the wells of blank plate. Add 40 &#956;l compound (from working plate) to 0, 5, 10, 20, 30 and 60 min plates. Initiate reaction by adding 40 &#956;l of LM+NRS suspension in each plate. Terminate reaction by adding 240 &#956;l ice-cold acetonitrile containing system suitability standard at designated time points. For T=0 add 240 &#956;l ice-cold acetonitrile containing system suitability standard before LM+NRS addition. Centrifuge (3500 rpm, 20 min and 15° C.) the plates. Mix 110 &#956;l supernatant with 110 &#956;l water and quantitate amount of Compound in the solution using LC-MS/MS.
11289	1	AlphaLISA Assay	Inhibition of the MCL1 and Bim interaction was measured in the following AlphaLISA assay.Recombinant human MCL1 protein (C-terminal 6×His Tagged MCL1 containing residues 171-327) was generated at Gilead Sciences, Inc. (Foster City, Calif.). A biotinylated peptide derived from human Bim (residues 51-76) was purchased from CPC Scientific (Sunnyvale, Calif.). (CPC 834113). AlphaLISA anti-6His- acceptor beads (AL128R), AlphaScreen Streptavidin donor beads (6760002B), and Proxiplate-384 Plus (6008289) were purchased from PerkinElmer. Methods: The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 &#956;L. The reaction mixture contained 0.0625 nM 6×His-MCL1 (171-327), 0.0625 nM biotinylated-Bim peptide, 10 &#956;g/mL AlphaLISA anti-6×His-AlphaLISA acceptor beads, 40 &#956;g/mL AlphaScreen streptavidin donor beads, and serially diluted test compounds in the binding buffer (20 mM Hepes, pH 7.5 (Teknova H1035); 150 mM NaCl (Promega V4221); 0.002% Brij 35 (Thermo Scientific 20150); 1 mM Dithiothreitol (DTT) Solution (Affymetrix 70726); 0.01% BSA (BioLabs B9000S)). 1,000× test compounds were pre-spotted onto 384-well Proxiplate (Labcyte Echo) by Echo 555 Liquid Handler (Labcyte Inc., San Jose, Calif.) followed by incubation of 5 &#956;L MCL1(171-327) for 1 hour. Then 5 &#956;L Bim (51-76) was added and incubated for 2 hours. Five &#956;L AlphaLISA anti-6His-AlphaLISA acceptor beads were then added for 1 hour followed by addition of 5 &#956;L AlphaScreen streptavidin donor beads for 1 hour. The reaction plates were then read on an Envision multimode reader (PerkinElmer) using AlphaScreen settings
13304	1	Determination of Kinetic Parameters Ki App, kon App, koff, and tR	For each compound, the progress curves displayed a nonlinear profile of H10MbtAopt inhibition with the characteristic three phases of a time-dependent, slow-onset mechanism of inhibition (FIGS. 5A-C); i.e., an initial linear phase that extrapolates to a slope corresponding to a pre-equilibrium initial velocity (vps) at t=0; a final linear phase with a slope representing the equilibrium, steady-state velocity (vs): and an exponential phase that connects the two linear phases with a pseudo-first order rate constant (kobs) for the approach to the steady state (Morrison. J. F., et al. (1988) Adv. Enzymol. Relat. Areas Mol. Biol. 61, 201-301; Copeland, R. A. (2013) Evaluation of enzyme inhibitors in drug discovery, pp 203-244, John Wiley & Sons, Inc.). In contrast, the progress curves for uninhibited reactions (DMSO controls) showed the expected linear profile of the steady-state kinetics (FIGS. 5A-C). Thus, the results demonstrated that salicyl-AMS (1) and its analogs including salicyl-6-MeO-AMSN (6) are slow-onset inhibitors of H10MbtAopt. Encouragingly, the results also provided the first indication of the potent activity of salicyl-AMSNMe (4b) and salicyl-6-MeO-AMSN (6) against MbtAtb.Interestingly, salicyl-6-MeO-AMSN (6) remains a fairly potent inhibitor of MbtAtb, despite the lack of a hydrogen-bond donor on the C6-substituent and the presence of the sulfamide linker.
13305	1	Inhibitory Activity of the Compounds of the Invention Against ROS1, NTRK and ALK and their Drug-Resistant Kinases	Inhibition of protein kinase activity by compounds was carried out on the Radio-tagged HotSpot kinase experimental platform of Reaction Biology Corporation. Fresh reaction solution (20 mM HEPESpH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO) containing corresponding substrates was prepared, cofactor and kinase to be tested were added into the above solution and mixed gently. Echo550 pipetting system was used to add the test compound DMSO solution to each well (the blank control group was added with the corresponding volume of DMSO), then 33P-ATP (with a final specific activity of 0.01 μCi/μL) was added to start the reaction. The reaction solution was incubated at room temperature for 120 minutes. Transferred the incubated reaction solution to P81 ion exchange chromatographic paper (Whatman #3698-915), eluted with 0.75% phosphoric acid solution, and the amount of radioactive phosphorylated substrate remaining on the chromatographic paper was detected.
11290	1	In Vitro Assay for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 &#956;l reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 &#956;g/ml in 40 &#956;l of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 &#956;l of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 &#956;l of Substrate Mix (20 &#956;l NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 &#956;l of Detection Buffer (36 &#956;g/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590. Compounds are assayed for their activity against IDH1 R132C following the same assay as above with the following modifications: Assay Buffer is (50 mM potassium phosphate, pH 6.5; 40 mM sodium carbonate, 5 mM MgCl2, 10% glycerol, 2 mM b-mercaptoethanol, and 0.03% BSA). The concentration of NADPH and alpha-ketoglutarate in the Substrate Buffer is 20 &#956;M and 1 mM, respectively.
11291	1	LanthaScreen Competitive Binding Assay	Compounds were screened for their ability to displace a fluorescent labelled tracer ER&#946; ligand via time resolved fluorescent energy transfer using the LanthaScreen Competitive Binding Assay screening service (Thermo Fisher Scientific).
11292	1	HDACs 1, 2, and 3 Enzymatic Inhibitions	HDACs assay was performed according to standard Protocols (Fluorgenic HDACs 1, 2, and 3 assay kit, BPS Bioscience ). All of the compounds, with Chidamide and Entinostat as positive control, at doses ranging from 20 &#956;M to 1.28 nM, were mixed with kit buffer and incubated at 37° C. for 1 hour. After 1 h, assay developer was added to the samples and the absorbance was read at fluorogenic wavelength. The relative inhibition to HDACs 1, 2, and 3 activities in each sample was determined. Example 10 Enzyme Inhibition Kinetic of HDAC3 by GNTbm-02 was Determined HDAC3 
11293	1	Assays for Detecting and Measuring of NaV Inhibition	1) Pre-spotted compounds (in neat DMSO) into compound plates. Vehicle control (neat DMSO), the positive control (20 mM DMSO stock tetracaine, 125 &#956;M final in assay) and test compounds were added to each well at 160× desired final concentration in neat DMSO. Final compound plate volume was 80 &#956;L (80-fold intermediate dilution from 1 &#956;L DMSO spot; 160-fold final dilution after transfer to cell plate). Final DMSO concentration for all wells in assay was 0.625%. 2) Prepared Hexyl Dye Solution. 3) Prepared cell plates. On the day of the assay, medium was aspirated and cells were washed three times with 100 &#956;L of Bath1 Solution, maintaining 25 &#956;L residual volume in each well. 4) Dispensed 25 &#956;L per well of Hexyl Dye Solution into cell plates. Incubated for 20-35 minutes at room temp or ambient conditions. 5) Dispensed 80 &#956;L per well of Bath1 into compound plates. Acid Yellow-17 (1 mM) was added and Potassium Chloride was altered from 4.5 to 20 mM depending on the NaV subtype and assay sensitivity. 6) Washed cell plates three times with 100 &#956;L per well of Bath1, leaving 25 &#956;L of residual volume. Then transferred 25 uL per well from Compound Plates to Cell Plates. Incubated for 20-35 minutes at room temp/ambient condition.</p><p id="p-0643" num="0640">7) Read Plate on E-VIPR. Used the current-controlled amplifier to deliver stimulation wave pulses for 10 seconds and a scan rate of 200 Hz. A pre-stimulus recording was performed for 0.5 seconds to obtain the un-stimulated intensities baseline. The stimulatory waveform was followed by 0.5 seconds of post-stimulation recording to examine the relaxation to the resting state.
11294	1	Inhibition of Btk Enzymatic Activity Assay	The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepared with 8-point serial dilutions for the test compounds on a Thermo CatX workstation equipped with a Innovadyne Nanodrop Express. The assay plates were prepared by addition of 50 nl per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition of 4.5 piper well of peptide/ATP-solution (4 &#956;M FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2, 164 &#956;M ATP) in kinase buffer (50 mM HEPES, pH 7.5, 1 mM DTT, 0.02% Tween20, 0.02% BSA, 0.6% DMSO, 10 mM beta-glycerophosphate, and 10 &#956;M sodium orthovanadate, 18 mM MgCl2, 1 mM MnCl2) and 4.5 &#956;l per well of enzyme solution (6.4 nM full-length human recombinant BTK) in kinase buffer. Kinase reactions were incubated at 30° C. for 60 minutes and subsequently terminated by addition of 16 &#956;l per well of stop solution (100 mM HEPES pH 7.5, 5% DMSO, 0.1% Caliper coating reagent, 10 mM EDTA, and 0.015% Brij35). Kinase reactions were analyzed on a Caliper LC3000 workstation by separating phosphorylated and unphosphorylated peptides and kinase activities were calculated from the amounts of newly formed phospho-peptide. Inhibition data were calculated by comparison to control reactions without enzyme (100% inhibition) and without inhibitors (0% inhibition). The concentration of inhibitor required for 50% inhibition (IC50) was calculated from the inhibition in response to inhibitor concentrations.
11295	1	Enzyme Inhibition	Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure: 1) Prepare indicated substrate in freshly prepared Base Reaction Buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO).2) Deliver cofactors (1.5 mM CaCl2, 16 ug/mL Calmodulin, 2 mM MnCl2) to the substrate solution above3) Deliver indicated kinase into the substrate solution and gently mix 4) Deliver varying concentrations of test compound in DMSO into the kinase reaction mixture 5) Deliver 33P-ATP (specific activity 0.01 &#956;Ci/&#956;L final) into the reaction mixture to initiate the reaction 6) Incubate kinase reaction for 120 min at room temperature 7) Reactions are spotted onto P81 ion exchange filter paper (Whatman #3698-915)8) Unbound phosphate is removed by washing filters extensively in 0.75% Phosphoric acid. 9) 33P signal was determined using Typhoon phosphorimagers (GE Healthcare). After subtraction of background derived from control reactions containing inactive enzyme, IC50 values were determined using the nonlinear regression function in Prism (Graphpad software).
11296	1	Fluorescence assay for recombinant human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 &#956;M rhDPP1 Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC50were determined using a 4-paramater logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener ). A standard DPP1 inhibitor, 4-amino-N-[(1S)-1-cyano-2-(4&#8242;-cyanobiphenyl-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide (WO2010/128324, Ex. 3) was used as a positive control and 1% (v/v) DMSO was used as a negative control in the assay.
11298	1	DYRK1A Kinase Activity Assay	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.00016 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning).The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission. Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1×Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control. After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11298	2	GSK3B Kinase Assay	The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies-a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission. Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1×Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions. After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm).
11299	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 pt was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were &#8722;3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin.
11300	1	MMP Inhibitory Assay	The inhibitory effect of compounds on the rate of cleaving fluorogenic MMP substrate (Enzo, BML-P128) by recombinant human MMP-12 catalytic domain (Enzo, BML-SE138) was carried out by methods known in the art. Briefly, to each well of a 96-well black opaque plate, all the reagents were sequentially added by pipetting, and the final reaction contained 4 nM of recombinant human MMP-12 catalytic domain, 4 &#956;M of fluorogenic MMP substrate, and various concentrations (0.057 nM to 1,000 nM) of tested compound dilutions in HEPES buffer (pH 7.5) containing 10 mM of CaCl2, 0.01% Brij 35 (polyoxyethylene (23) lauryl ether), and 0.1 mg/ml of BSA. The enzyme and compounds were pre-incubated on a shaker to mix in wells. After an hour of mixing, fluorogenic substrate was added to each well. Reaction without enzyme was used as a blank control in the plate. The plate was then fed into a plate reader to measure fluorescence intensity at Excitation/Emission wavelengths of 340 nm/440 nm every 10 mins for at least 1 hour at 37° C.
11301	1	In Vitro Assay	The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 &#956;L assay containing 20 mM HEPES, pH 7.5, 20 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 5 &#956;M ATP and 1.5 &#956;M peptide substrate (FITC-AHA-AKRRRLSSLRA-OH) (SEQ ID NO. 1). Compounds were dissolved in DMSO so that the final concentration of DMSO was <2%, and the reaction was initiated with Rho kinase variants. After incubation, the reaction was terminated by the addition of EDTA and the phosphorylated and non-phosphorylated peptides separated using a LABCHIP 3000 Reader (Caliper Life Sciences). Controls consisted of assays that did not contain compound, and backgrounds consisted of assays that contained enzyme and substrate but had EDTA from the beginning of the reaction to inhibit kinase activity. Compounds were tested in dose-response format, and the inhibition of kinase activity was calculated at each concentration of compound. The inhibition data were fit using a curve-fitting program to determine the IC50; i.e., the concentration of compound required to inhibit 50% of kinase activity.
11302	1	Human ATX Enzyme Inhibition Assay	ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121 substrate, BOC and TBS protected 6-amino-hexanoic acid (R)-3-({2-[3-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-ethoxy}-ethoxy)-propionylamino]-ethoxy}-hydroxy-phosphoryloxy)-2-hydroxy-propyl ester (Ferguson et al., Org Lett 2006, 8 (10), 2023) was labeled with MR121 fluorophore (CAS 185308-24-1, 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2&#8242;,3&#8242;-i]phenoxazin-13-ium) on the free amine of the ethanolamine side and then, after deprotection, subsequently with tryptophan on the side of the aminohexanoic acid. Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaC2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0; ATX solution: ATX (human His-tagged) stock solution (1.08 mg/mL in 20 mM bicine, pH 8.5, 0.15 M NaCl, 10% glycerol, 0.3% CHAPS, 0.02% NaN3), diluted to 1.4-2.5× final concentration in assay buffer; MR121 substrate solution: MR121 substrate stock solution (800 &#956;M MR121 substrate in DMSO), diluted to 2-5× final concentration in assay buffer. Test compounds (10 mM stock in DMSO, 8 &#956;L) were obtained in 384 well sample plates (Corning Costar #3655) and diluted with 8 &#956;L DMSO. Row-wise serial dilutions were made by transferring 8 &#956;L cpd solution to the next row up to row O. The compound and control solutions were mixed five times and 2 &#956;L were transferred to 384 well assay plates (Corning Costar #3702). Then, 15 &#956;L of 41.7 nM ATX solution was added (30 nM final concentration), mixed five times and then incubated for 15 minutes at 30° C. 10 &#956;L of MR121 substrate solution was added (1 &#956;M final concentration), mixed 30 times and then incubated for 15 minutes at 30° C. Fluorescence was then measured every 2 minutes for 1 hour (Perkin Elmer plate: vision multimode reader); light intensity: 2.5%; exp. time: 1.4 sec, Filter: Fluo_630/690 nm) and IC50 values were calculated from these readouts.
11303	1	CDK9/CyclinT1 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK9/Cyclin T1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured and used in IC50 determination. Recombinant protein complex CDK9/Cyclin T1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK9/CyclinT1 (1 nM final), ULight-4E-BP1 (50 nM final, Perkinelmer, TRF0128-D), and ATP (1 mM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E) to make a 9.9 &#956;L of reaction mixture. After 20 minutes preincubation at room temperature, 0.1 &#956;L MgCl2(10 mM final) was added to initiate the reaction. Following a 45 minutes incubation at 37° C., the reaction was stopped by addition of 2 &#956;L of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010). IC50values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software. See Table B (CDK9_T1).
11303	2	CDK2/CyclinA2 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK2/Cyclin A2 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured and used in IC50 determination. Recombinant protein complex CDK2/Cyclin A2, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK2/CyclinA2 (1 nM final), ULight-4E-BP1 (50 nM final, Perkinelmer, TRF0128-D), and ATP (1 mM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E) to make a 9.9 &#956;L of reaction mixture. After 20 minutes preincubation at room temperature, 0.1 &#956;L MgCl2(10 mM final) was added to initiate the reaction. Following a 45 minutes incubation at 37° C., the reaction was stopped by addition of 2 &#956;L of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010).
11303	3	CDK4/CyclinD1 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK4/Cyclin D1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured and used in IC50 determination. Recombinant protein complex CDK4/Cyclin D1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK4/CyclinD1 (1 nM final), ULight-4E-BP1 (100 nM final, Perkinelmer, TRF0128-D), and ATP (2 mM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E) to make a 9.9 &#956;L of reaction mixture. After 20 minutes preincubation at room temperature, 0.1 &#956;L MgCl2(10 mM final) was added to initiate the reaction. Following a 45 minutes incubation at 37° C., the reaction was stopped by addition of 2 &#956;L of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010).
11304	1	A2A Tag-lite HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 &#956;L. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-lite Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement. The % binding data versus the log of the inhibitor concentration was fitted to a one-site competitive binding model (GraphPad Prism version 7.02) where the ligand constant=12.5 nM and the ligand Kd=1.85 nM.
11305	1	Human AXL Kinase Assay	Human Axl (residues H473-A894 with Q764R, 161 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKSRGDYMTMQIG (SEQ ID NO. 43), 10 mM magnesium acetate and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11305	2	Human Mer Kinase Assay	Human Mer (residues R557-E882 with H628Q and R794A, 0.7 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 mM NaCl, 250 &#956;M GGMEDIYFEFMGGKKK (SEQ ID NO. 44), 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11305	3	Human Met Kinase Assay	Human Met (residues R974-S1390 with A1209G and V1290L, 3.4 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKKGQEEEYVFIE (SEQ ID NO. 45), 1 mM sodium orthovanadate, 5 mM sodium-6-glycerophosphate, 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer)
11306	1	SHP2 Allosteric Inhibition Assay	The inhibition of SHP2 by compounds of the invention (concentrations varying from 0.00005-10 &#956;M) was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2N LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) or Activating Peptide 2 (sequence: H2N-LN(pY)AQLWHA(dPEG8)LTI(pY)ATIRRF-amide). After 30-60-minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
11297	1	Z&#8242;-LYTE Biochemical Aassay	Z&#8242;-LYTE Assay Conditions: Test Compounds: The Test Compounds are screened in 1% DMSO (final) in the well. For 10 point titrations, 3-fold serial dilutions are conducted from the starting concentration. Peptide/Kinase Mixtures: All Peptide/Kinase Mixtures are diluted to a 2× working concentration in the appropriate Kinase Buffer. ATP Solution: All ATP Solutions are diluted to a 4× working concentration in Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA). ATP Km apparent is previously determined using a Z&#8242;-LYTE assay. Development Reagent Solution: The Development Reagent is diluted in Development Buffer. 10× Novel PKC Lipid Mix: 2 mg/mL Phosphatidyl Serine, 0.2 mg/mL DAG in 20 mM HEPES, pH 7.4, 0.3% CHAPS. For 5 mL 10× Novel PKC Lipid Mix: 1. Add 10 mgs Phosphatidyl Serine (Avanti Polar Lipids Part #8400032C or 840039C) and 1 mg DAG (Avanti Polar Lipids Part #800811C) to a glass tube. 2. Remove the chloroform from lipid mixture by evaporating to a clear, thin film under a stream of nitrogen. Continuous rotation of the tube, at an angle to ensure maximum surface area of the lipid solution, will promote the thinnest film. 3. Add 5 mLs resuspension buffer, 20 mM HEPES, 0.3% CHAPS, pH 7.4, to the dried lipid mix 4. Heat gently to 50-60° C. for 1-2 minutes and vortex in short intervals until the lipids are dissolved to a clear or slightly hazy solution. The lipids are typically in solution after 2-3 heat/vortex cycles. 5. Cool to room temperature, aliquot into single use volumes and store at &#8722;20° C. Assay Protocol: Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 &#956;L 4× Test Compound or 100 nL 100× plus 2.4 &#956;L kinase buffer. 2. 5 &#956;L 2× Peptide/Kinase Mixture. 3. 2.5 &#956;L 4× ATP Solution. 4. 30-second plate shake. 5. 60-minute Kinase Reaction incubation at room temperature. 6. 5 &#956;L Development Reagent Solution. 7. 30-second plate shake. 8. 60-minute Development Reaction incubation at room temperature. 9. Read on fluorescence plate reader and analyze the data. In a typical experiment, each data point uses 100 nL 100× test compound in 100% DMSO. Commonly, 100 nL of a 10 &#956;M solution of test compound is used for each experiment, which is equivalent to 1 picomole of test compound. Accordingly, a 10 &#956;M single-point assay uses 100 picomoles of test compound, and a 10-point titration uses about 200 picomoles of test compound 100 picomoles for the initial test and another 100 picomoles for the serial dilution.
11307	1	CSF1R Kinase Assay	The activity of CSF1R kinase (CSF1R, SEQ ID NO: 1) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942 Assays were conducted in 384-well plates (100 &#956;L final volume) using 10 nM CSF1R (Eurofins), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 0.7 mg/mL PolyEY and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of CSF1R was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 4 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
11307	2	c-Kit Kinase Assay	The activity of unphosphorylated c-KIT kinase (c-KIT, SEQ ID NO: 2) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;L final volume) using 16 nM c-KIT (DeCode Biostructures), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 0.7 mg/mL PolyEY and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of c-KIT was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software). as implemented in the GraphPad Prism software package.
11307	3	PDGFR&#945; Kinase Assay	The activity of unphosphorylated PDGFR&#945; kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;L final volume) using 11.7 nM PDGFR&#945; (DeCode Biostructures), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 0.7 mg/mL PolyEY and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of PDGFR&#945; was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
11307	4	FLT3 Kinase Assay	The activity of FLT3 kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;L final volume) using 1.6 nM FLT3 (Invitrogen), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 0.7 mg/mL PolyEY and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of FLT3 was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 3-4 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
11308	1	Fluorescence Assay for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex=350 nm and &#955;em=450 nm. The assay was carried out in black 384 well plates in a final volume of 10 &#956;l at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 &#956;M H-Gly-Arg-AMC and 96.4 pM rhDPP1 Potential inhibitors were diluted in DMSO to generate 100× of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 &#956;M) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. The pIC50were determined using a 4-parameter logistic equation in a non-linear curve fitting routine (Smartfit, Genedata Screener ).
11309	1	Biochemical Assay	This study evaluates the inhibitory potency of invention compound on p38/MK2 pathway vs p38/PRAK pathway. More specially the compound concentration (IC50) was determined that inhibited half of the maximal activation of MK2 or PRAK by p38. MK2 activation study was set up without or with a serial of 10-point 1:3 dilution of invention compound at top dose of 1 or 1 &#956;M, and PRAK activation study was set up without or with a serial of 10-point 1:3 dilution of invention compound at top dose of 300 &#956;M. The MK2 and PRAK activity were determined by the phosphorylation level of HSP27 peptide conjugated with FITC. A typical assay was conducted in 20 &#956;L volume including 60 pM active p38a (Carma, cat #04-152), 10 &#956;M ATP, 1 &#956;M FITC-HSP27 peptide (Sangon, Cat #P22354), and 1 nM inactive MK2, or PRAK in 1× reaction buffer (20 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM DTT, 0.0100 Triton X-100, 0.01% BSA). After 2 h incubation of the reaction mixture with various concentration of invention compound (200 nL), 60 &#956;L 1×IMAP solution Mixture (Molecular Devices, Cat R8127) was added to the reaction mixture and incubated for another half hour. The signal was then read by Synergy Neo2 Multi-Mode Microplate Reader with filter setting (Ex/Em=485 nm/FITC FP-P pol 528 nm & FITC FP-S pol 528 nm). The signal was then normalized to vehicle control and fitted in Xfit to generate IC50. The selectivity of MK2 over PRAK was calculated by the formular Selectivity=IC50 of PRAK/IC50 of MK2.
11310	1	IP-One assay kit	IP-One, Cisbio, cat #621PAPEC, is a commercially available assay.
11311	1	RET and KDR Enzyme Assay	Kinase activity was detected using CisBio HTRF kinEASE kit based on time-resolved fluorescence transfer (FRET). The assay was performed in 384-well white plates (Corning #3574) in a reaction volume of 10 &#956;L containing 1× CisBio enzymatic buffer supplemented with a final concentration of 5 mM MgCl2, 1 mM DTT, 10 nM SEB and 0.01% Triton X100 for RET. The same buffer was used for the KDR biochemical assay with the addition of 2 mM MnCl2. Inhibitors were pre-incubated in the plate for 15 mins with 5 &#956;L kinase and assay buffer at the following concentrations; 13 pM RET (Carna Biosciences; 08-159) and 150 pM KDR (Millipore; 14-630). The reaction was initiated by the addition of 5 &#956;L ATP and substrate at 2× final reaction concentrations. For RET, this was 18 &#956;M and 2 &#956;M; for KDR, this was 16 &#956;M and 1 &#956;M, respectively. Reactions were performed at ATP Km for each target. The assay was allowed to proceed at room temperature for 20 mins before terminating with the addition of 10 &#956;L HTRF detection buffer containing EDTA supplemented with TK-antibody labelled with Eu3+-Cryptate (1:100 dilution) and streptavidin-XL665 (128 nM). Following incubation at room temperature for 1 hour, FRET signal was measured using the Pherastar FS Microplate Reader.
11312	1	B-Raf V600E/Mek Amplified Luminescence Proximity Homogeneous Assay (B-Raf V600E Biochemical)	B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM DTT) and dispensed 10 &#956;l per well in assay plates (Greiner white 384 well assay plates #781207) containing 0.5 &#956;l of 40× of a compound of the invention diluted in 100% DMSO. The plate was incubated for 60 minutes at room temperature.The B-Raf kinase activity reaction was started by the addition of 10 &#956;l per well of 2×ATP (10 &#956;M) diluted in assay buffer. After 3 hours, the reactions were stopped with the addition of 10 &#956;l of stop reagent (60 mM EDTA, 0.01% Tween20). Phosphorylated product was measured using a rabbit anti-p-MEK (Cell Signaling, #9121) antibody and the Alpha Screen IgG (ProteinA) detection Kit (PerkinElmer #6760617R), by the addition of 30 &#956;l to the well of a mixture of the antibody (1:2000 dilution) and detection beads (1:1000 dilution of both beads) in bead buffer (50 mM Tris, pH 7.5, 0.01% Tween20). The additions were carried out under dark conditions to protect the detection beads from light. A lid was placed on top of the plate and the plate was incubated for 1 hour at room temperature. The luminescence was read on a PerkinElmer Envision instrument. The concentration of each compound for 50% inhibition (IC50) was calculated by non-linear regression using XL Fit data analysis software.
11313	1	Biochemical Selectivity Kinase Assay	PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase assays were performed with Km-levels of ATP at the Thermo Fisher Scientific, Inc. (Madison, Wis.), using their Invitrogen SelectScreen fluorescence resonance energy transfer (FRET) Z&#8242;-LYTE technology, based on the differential sensitivity of phosphorylated and nonphosphorylated peptides to proteolytic cleavage. Human recombinant full-length GST-tagged PRKD2 (PKD2) and RPS6KA2 (RSK3) were produced by Thermo Fisher Scientific, Inc. (Madison, Wis.). The kinase assays were conducted in 10-&#956;L reactions. PRKD2 (PKD2) reactions contained 0.64-5.84 ng enzyme, 25 &#956;M ATP ( Km), 2 &#956;M of Ser/Thr 17 (Z&#8242;-LYTE peptide substrate), 10 mM MgCl2, 0.01% BRIJ-35, 1 mM EGTA in 50 mM HEPES, pH 7.5. RPS6KA2 (RSK3) reactions were conducted similarly, and contained 0.5-9 ng enzyme, or 10 &#956;M ATP ( Km) and 2 &#956;M Ser/Thr 06 peptide. After the 1-hour kinase reaction incubation, 5 &#956;L of a 1:256 and 1:4096 dilution of Z&#8242;-LYTE Development Reagent A was added to the PRKD2 (PKD2) and RPS6KA2 (RSK3) reactions, respectively. The extent of kinase reactions, resulting in a change of FRET signal of the peptide substrate, was measured, and inhibition for each kinase was measured with respect to DMSO control and reported as an average of duplicate measurements.
11314	1	Biochemical Assay (1 uM)	A typical assay was conducted in 20 &#956;L volume including 60 &#956;M active p38&#945; (Carna, cat #04-152), 10 &#956;M ATP, 1 &#956;M FITC-HSP27 peptide (Sangon, Cat #P22354), and 1 nM inactive MK2, or PRAK in 1× reaction buffer (20 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM DTT, 0.0100 Triton X-100, 0.01% BSA). After 2 h incubation of the reaction mixture with various concentration of invention compound (200 nL), 60 &#956;L 1×IMAP solution Mixture (Molecular Devices, Cat #R8127) was added to the reaction mixture and incubated for another half hour. The signal was then read by Synergy Neo2 Multi-Mode Microplate Reader with filter setting (Ex/Em=485 nm/FITC FP-P pol 528 nm & FITC FP-S pol 528 nm). The signal was then normalized to vehicle control and fitted in Xfit to generate IC50. The selectivity of MK2 over PRAK was calculated by the formular Selectivity=IC50 of PRAK/IC50 of MK2.
11314	2	Biochemical Assay (10 uM)	A typical assay was conducted in 20 &#956;L volume including 60 &#956;M active p38&#945; (Carna, cat #04-152), 10 &#956;M ATP, 1 &#956;M FITC-HSP27 peptide (Sangon, Cat #P22354), and 1 nM inactive MK2, or PRAK in 1× reaction buffer (20 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM DTT, 0.0100 Triton X-100, 0.01% BSA). After 2 h incubation of the reaction mixture with various concentration of invention compound (200 nL), 60 &#956;L 1×IMAP solution Mixture (Molecular Devices, Cat #R8127) was added to the reaction mixture and incubated for another half hour. The signal was then read by Synergy Neo2 Multi-Mode Microplate Reader with filter setting (Ex/Em=485 nm/FITC FP-P pol 528 nm & FITC FP-S pol 528 nm). The signal was then normalized to vehicle control and fitted in Xfit to generate IC50. The selectivity of MK2 over PRAK was calculated by the formular Selectivity=IC50 of PRAK/IC50 of MK2.
11315	1	Plasma Kallikrein Activity Assay	Plasma kallikrein activity assay. The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; 2.5 mM CaCl2; 50 mM Tris-HCl, pH 7.8). After incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader (Winooski, Vt., USA). Data were analyzed using SigmaPlot software (Systat Software, Inc., San Jose, Calif., USA) (Four Parameter Logistic Curve). Ki values for the inhibitors were determined using the ChengPrusoff equation.The compounds disclosed in this application have Ki values less than 1 micromolar (&#956;M) for the plasma kallikrein enzyme.
11316	1	In Vitro Assay	Adherent cells (CHO-K1 C5AR1 beta-arrestin cell line, DiscoverX, CA USA) are washed with PBS, detached by incubation with Dissociation Buffer (Gibco Cat #13151-014, 2 ml per 165 cm2 dish) for 3 minutes, then washed with 10 ml PBS (without Mg++ and Ca++) and counted. 7&#8242;500 cells/384-well are seeded out in 384-well plates (Cell culture plate MTP384 white Polystyrene, Corning, Cat #3570) in 20 &#956;I/well Cell plating medium (F12 HAMs/10% FCS/1% P/S) and incubated at 37° C./5% CO2/24 h. 5 &#956;l Antagonist at 6-fold end concentration or DMSO control is added to assay medium and subsequently 5 &#956;l 1-10 nM C5a agonist at 6 fold end concentration. Cells are centrifuged for 1 min at 1000 rpm and incubated for 1.5 hour in at 37° C. Plates are equilibrated at room temperature for several minutes before adding 12 &#956;I/well Detection Reagent (PathHunter Detection Kit, DiscoverX, Cat #93-0001). Plates are centrifuged for 1 min at 1000 rpm and incubated for 45 minutes at RT before being measured on a Fluostar Optima, BMG Labtech. IC50 values are calculated from a serial dilution range of antagonist using inhouse software and given in nmol/l.
11317	1	KAT-5 Enzyme Assay	Enzyme assay buffer was 50 mM Tris pH 8.0, 0.002% Tween20, 0.005% bovine skin gelatin, and 1 mM dithiothreitol (DTT). For determination of IC50values, compounds were serially diluted with 2% (v/v) DMSO in the final reaction, pre-incubating each dilution of each compound with 40 &#956;L of assay buffer containing KAT-5 enzyme (9 nM final concentration). 10 &#956;L of assay buffer containing 1 &#956;M peptide substrate and 0.5 &#956;M acetyl coenzyme A (final concentrations) was added. Reactions (50 &#956;L total) were then carried out at 25° C. for 90 minutes. Reactions were terminated by the addition of 0.5% formic acid (final concentration), and a sample of each reaction was analyzed by SAMDI Tech, Inc. (Chicago, Ill.) using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, M. (2008) Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano 2, 7-18).
11317	2	KAT-6A Enzyme Assay	KAT-6A. Enzyme assay buffer was 50 mM Tris pH 8.0, 0.002% Tween20, 0.005% bovine skin gelatin, and 1 mM dithiothreitol (DTT). For determination of IC50values, compounds were serially diluted with 2% (v/v) DMSO in the final reaction, pre-incubating each dilution of each compound with 40 &#956;L of assay buffer containing KAT-6A enzyme (12.5 nM final concentration). 10 &#956;L of assay buffer containing 1 &#956;M peptide substrate and 1 &#956;M acetyl coenzyme A (final concentrations) was added. Reactions (50 &#956;L total) were then carried out at 25° C. for 90 minutes. Reactions were terminated by the addition of 0.5% formic acid (final concentration), and a sample of each reaction was analyzed by SAMDI Tech, Inc. (Chicago, Ill.) using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, M. (2008) Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano 2, 7-18).
11317	3	KAT-7 Enzyme Assay	Enzyme assay buffer was 50 mM Tris pH 8.0, 0.002% Tween20, 0.005% bovine skin gelatin, and 1 mM dithiothreitol (DTT). For determination of IC50values, compounds were serially diluted with 2% (v/v) DMSO in the final reaction, pre-incubating each dilution of each compound with 40 &#956;L of assay buffer containing KAT-7 enzyme (6 nM final concentration). 10 &#956;L of assay buffer containing 1 &#956;M peptide substrate and 2 &#956;M acetyl coenzyme A (final concentrations) was added. Reactions (50 &#956;L total) were then carried out at 25° C. for 120 minutes. Reactions were terminated by the addition of 0.5% formic acid (final concentration), and a sample of each reaction was analyzed by SAMDI Tech, Inc. (Chicago, Ill.) using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, M. (2008) Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano 2, 7-18).
11317	4	KAT-8 Enzyme Assay	Enzyme assay buffer was 50 mM Tris pH 8.0, 0.002% Tween20, 0.005% bovine skin gelatin, and 1 mM dithiothreitol (DTT). For determination of IC50values, compounds were serially diluted with 2% (v/v) DMSO in the final reaction, pre-incubating each dilution of each compound with 40 &#956;L of assay buffer containing KAT-8 enzyme (12.5 nM final concentration). 10 &#956;L of assay buffer containing 1 &#956;M peptide substrate and 5 &#956;M acetyl coenzyme A (final concentrations) was added. Reactions (50 &#956;L total) were then carried out at 25° C. for 90 minutes. Reactions were terminated by the addition of 0.5% formic acid (final concentration), and a sample of each reaction was analyzed by SAMDI Tech, Inc. (Chicago, Ill.) using self-assembled monolayer desorption/ionization time-of-flight mass spectrometry (Mrksich, M. (2008) Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano 2, 7-18).
11318	1	Biological Assay	ATM: Recombinant, full length human FLAG-tagged ATM activity (Eurofins 14-933) was measured in an ELISA for p53 S15 phosphorylation, in a 384 well V-bottom polypropylene plate (Greiner Bio One 781280). Reactions contained 0.75 nM ATM, 25 nM full length myc tagged p53 (Eurofins 23-034), 10 &#956;M UltraPure ATP (Promega V915B) and serial dilutions of inhibitors (0.1% DMSO final) in 25 mM HEPES, pH 7.5. 5 mM MgCl2, 2.5 mM MnCl2, 0.006% Brij-35, 0.5% glycerol, 0.1 mg/ml BSA, 0.5 mM DTT and were allowed to proceed for 30 min at 20° C. 70 mM EDTA final terminated the kinase reactions. An aliquot of the terminated reaction (25 &#956;l) was transferred to a 384-well, high binding microplate (Greiner Bio One 781061), precoated with anti-myc capture antibody overnight (Millipore 05-724) diluted in 1:1000 in PBS, then blocked with Odyssey blocking buffer (LI-COR Biosciences 92740000) for 60 min at 20° C. The terminated reaction was allowed to capture for 2 h at 20° C. Phosphorylation was measured using an antibody specific to p53 S15 phosphorylation (1:5000 Abcam ab38497), anti-rabbit HRP (1:1000 Cell Signalling Technology, 7074) and TMB (ab171522). Antibodies were diluted in Odyssey blocking buffer and incubated for 60 min at 20° C. Three washes with PBS containing 0.05% (v/v) Tween 20 (PBS-T) were performed between each incubation. The TMB reaction was stopped with an equal volume of 0.2 M sulfuric acid and absorbance read at 450 nm on the Perkin Elmer Envision within 30 min of terminating the reaction. The percentage of inhibition was calculated for each concentration of compound using 0.1% DMSO control wells as 0% inhibition and 1 &#956;M KU60019 as 100% inhibition.
11319	1	Inhibition of Integrin-Ligand Interaction by Reference Inhibitors	The full reaction (Integrin-Ligand Interaction) was optimized as above. Integrin coupled beads were taken for the experiment. 2 &#956;L of 10 nM/20 nM of Ligand was taken and mixed with 8 &#956;L of the compound (i.e., Cilengitide or CWHM12, each diluted from a 10 mM stock). Reaction, with or without DMSO (0.08%), between Integrin and Ligand in the absence of the compound was considered as the full reaction. Reaction with DMSO (0.08%) in the absence of compound and Ligand was considered as the blank reaction. The samples incubated in low protein binding tubes at room temperature for 3 hours. The tubes were placed in a Magna spin and the supernant was discarded. The beads were washed with assay buffer twice to remove the excess Ligand and then re-suspended in 150 &#956;L of assay buffer containing the primary antibody (1:500 of Anti-VN-FITC or 1:200 of Anti-LAP1 Ab). The tubes were placed in a tube roller and incubated at 4° C. overnight. After a brief spin, the tubes were placed in a Magna spin, and the supernatant was discarded. In the case of &#945;V&#946;3/&#945;V&#946;5-VN interaction, the beads were washed with assay buffer twice and finally washed with PBS. The beads were then re-suspended in 300 &#956;L of PBS and analyzed by a Flow Cytometer. In the case of &#945;V&#946;6/&#945;V&#946;8-LAP1 interaction, the beads were washed with assay buffer twice and treated with 150 &#956;L of Secondary Antibody (1:500) for two hours at room temperature, washed twice with assay buffer and PBS, and finally re-suspended in 300 &#956;L of PBS and analyzed by a Flow Cytometer.
11320	1	Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK4/Cyclin D1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured. IC50 determination. Recombinant protein complex CDK4/Cyclin D1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 0.1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK4/CyclinD1 (1 nM final), ULight-4E-BP1 (100 nM final, Perkinelmer, TRF0128-D), and ATP (2 mM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E). After 20 minutes preincubation at room temperature, MgCl2(10 mM final) was added to initiate the reaction. Following a 60 minutes incubation at 37° C., the reaction was stopped by addition of 2 &#956;L of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), 2 nM LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), 10 mM EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010).
11320	2	CDK6/CyclinD1 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK6/Cyclin D1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured and used in IC50 determination. Recombinant protein complex CDK6/Cyclin D1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 0.1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK6/Cyclin D1 (1 nM final), ULight-4E-BP1 (100 nM final, Perkinelmer, TRF0128-D), and ATP (250 uM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E). After 20 minutes preincubation at room temperature, 0.1 uL MgCl2 (10 mM final) was added to initiate the reaction. Following a 60 minutes incubation at 37 C., the reaction was stopped by addition of 2 uL of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), 2 nM LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), 10 mM EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010). IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
11321	1	Enzymatic Assay	PDE7 inhibition was determined by an IMAP TR-FRET assay using PDE7B. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, FAM-cAMP substrate, reducing agent, DMSO tolerance, and incubation time. First, PDE7 inhibitor compounds in 10 mM DMSO stock were serially diluted in 100% DMSO. Next, into each well of a solid white 1536 well plate (Corning) was dispensed 12.8 pg of N-terminal truncated recombinant human PDE7B enzyme (91-450aa, prep #DBVC-D04614, made in-house by structural biology) in 2.5 &#956;L IMAP BSA reaction buffer (Molecular Devices, Sunnyvale, Calif.) containing 1 mM DTT (Sigma Aldrich.) After a brief centrifugation, 30 nL of serially diluted compounds in DMSO were added by transfer from 1 mM stock using a Kalypsys 1536 Pintool. Plates were incubated for 5 minutes at room temperature before dispensing 1.5 &#956;L of 134 nM 5-carboxy fluorescein (FAM)-labeled cAMP (Molecular Devices, Sunnyvale, Calif.) for a final concentration of 50 nM. After a brief centrifugation, the plates were incubated for 15 minutes at room temperature. The assay was terminated by adding 5 &#956;L IMAP binding reagent/Tb complex (Molecular Devices, Sunnyvale, Calif.) to each well. Plates were incubated 1 hour at room temperature and read on a Viewlux multimode plate reader (Perkin Elmer).
11322	1	ADP-Glo Kinase Assay	In order to measure RIPK1 activity the ADP-Glo kinase assay (Promega, Catalog #V7002) was used to measure the conversion of ATP to ADP. This enzymatic assay was performed in a 384-well white, Optiplate (Perkin Elmer, Catalog #6007299) with assay buffer consisting of 50 mM HEPES pH 7.5 (Gibco, Catalog #15630-080), 50 mM NaCl (Teknova, Catalog #S0252), 30 mM MgCl2 (Ambion, Catalog #AM9530G), 1 mM DTT (Santa Cruz Biotechnology, Catalog #sc-29089), 0.05% BSA (Sigma, Catalog #A3059-50G) and 0.02% CHAPS (Sigma, Catalog #C5070-5G). Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog #D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:40 in assay buffer, and 2 &#956;L/well were transferred to the assay plate. 4 &#956;L/well (final concentration of 5 nM) of RIPK1 protein (SignalChem, Catalog #R07-11G-05) diluted in assay buffer and added to the assay plate followed by a 10 minute preincutation at room temperature. 4 &#956;L/well of ATP (Promega, Catalog #V7002) (final concentration of 50 &#956;M) diluted in assay buffer were then added to the assay plate followed by a 6 hr reaction time. Final concentrations of RIPK1 and ATP refer to a 10 &#956;L volume. Luminescence was measured using a BioTek Synergy NEO plate reader. IC50 values were calculated using a four-parameter logistic curve fit using Genedata Screener software.
11323	1	Competitive Radioligand Binding Assay	The affinity of candidate sigma-2 ligand compounds at sigma-1 and sigma-2 receptors was also determined by displacement of different known labeled sigma-2 or sigma-1 ligands. Filtration assays were conducted according the previously published procedure (Xu, et al., 2005). Test compounds were dissolved in N,N-Dimethylformamide (DMF), dimethyl sulfoxide (DMSO) or ethanol and then diluted in 50 mM Tris-HCl pH 7.4 buffer containing 150 mM NaCl and 100 mM EDTA. Membrane homogenates were made from guinea pig brain for sigma-1 binding assay and rat liver for sigma-2 binding assay. Membrane homogenates were diluted with 50 mM Tris-HCl buffer, pH 8.0 and incubated at 25° C. in a total volume of 150 uL in 96 well plates with the radioligand and test compounds with concentrations ranging from 0.1 nM to 10 uM. After incubation was completed, the reactions were terminated by the addition of 150 uL of ice-cold wash buffer (10 mM Tris HCl, 150 mM NaCl, pH 7.4) using a 96 channel transfer pipette (Fisher Scientific, Pittsburgh, Pa.) and the samples harvested and filtered rapidly through 96 well fiber glass filter plate (Millipore, Billerica, Mass.) that had been presoaked with 100 uL of 50 mM Tris-HCl buffer. Each filter was washed four times with 200 uL of ice-cold wash buffer (10 mM Tris-HCl, 150 mM NaCl, pH 7.4). A Wallac 1450 MicroBeta liquid scintillation counter (Perkin Elmer, Boston, Mass.) was used to quantitate the bound radioactivity. The sigma-1 receptor binding assays were conducted using guinea pig brain membrane homogenates ( 300 ug protein) and 5 nM [3H](+)-pentazocine (34.9 Ci/mmol, Perkin Elmer, Boston, Mass.), incubation time was 90 min at room temperature. Nonspecific binding was determined from samples that contained 10 &#956;M of cold haloperidol. The sigma-2 receptor binding assays were conducted using rat liver membrane homogenates ( 300 ug protein) and 2 nM sigma-2 highly selective radioligand [3H]RHM-1 only (no other blockers) (America Radiolabeled Chemicals Inc. St. Louis, Mo.), 10 nM [3H]DTG (58.1 Ci/mmol, Perkin Elmer, Boston, Mass.) or 10 nM [3H]Haloperidol (America Radiolabeled Chemicals Inc., St. Louis, Mo.) in the presence of 1 uM (+)-pentazocine to block sigma-1 sites, incubation times were 6 minutes for [3H]RHM-1, 120 min for [3H]DTG and [3H]haloperidol at room temperature. Nonspecific binding was determined from samples that contained 10 uM of cold haloperidol.
11324	1	In Vitro Kinase Activity Assay	Inhibition of various kinases was assayed.
11325	1	In Vitro Testing of Human Factor Xa Assay	Measurement of active human Factor Xa using a specific chromogenic substrate which is labeled with a p-nitro-anilino group (pNA). The cleavage in between the binding of the peptide substrate and the pNA-group is followed by a color change, which can be detected at 405 nm. The amount of cleaved substrate is directly proportional to the amount of active Xa.0.8 mg (100 U) human Factor Xa (Enzyme Research Laboratories; HFXa1011) were solved in 0.444 ml H2O (Millipore), which accords to a stock solution of 19.28 &#956;M or 225 U/ml. Further dilutions were made in the assay buffer (Tris 100 mM, NaCL 150 mM, adjusted to a pH of 7.8 with HCL, containing 0.1% BSA and 0.05% Tween20). 25 mg (1 vial) of the chromogenic substrate S2765 (Chromogenix; S2765) was solved in 3.5 ml H2O (Millipore) to achieve a stock solution of 10 mM.Compounds were solved and diluted in DMSO where the final dilution in the assay is 1:10 resulting in a final concentration of 1% DMSO.compounds solved in H2O were diluted in H2O the prefinal dilution step was 1:10 in the assay buffer containing 11% DMSO resulting in 10% DMSO final dilution in the assay is 1:10 resulting in a final concentration of 1% DMSO Compounds were tested at final concentrations of 10 &#956;M to 0.003 nM or lower. 5 &#956;l human factor Xa (final concentration 0.86 nM), 2 &#956;l compound dilution or assay buffer (containing 10% DMSO) and 8 &#956;l assay buffer were pipetted in triplicates into a 384-well plate and incubated in the Thermomix at 24° C. for 10 minutes. After addition of 5 &#956;l chromogenic substrate (final concentration 0.5 mM) the enzyme-substrate reaction started and the kinetic measurement with the SpectraMax Monochromator was started within 1-2 minutes. Parameter of measurement: (Spectra ax, Monochromator) Absorbance; 1.LM 405 nM Kinetic: 16 min each 2nd minute (9 times) Negative Control (NC) 5 &#956;l human factor Xa+10 &#956;l assay buffer+5 &#956;l Substrate Positive Control (PC): 5 &#956;l human factor Xa+2 &#956;l Nafamostat (commercially available, final concentration: 1 &#956;M)+8 &#956;l assay buffer+5 &#956;l Substraten Blank (optional): 15 &#956;l assay buffer+5 &#956;l Substrate Calculation of IC50, KI and the % effect at the highest concentration (Ratio).
11325	2	In Vitro Testing of Androgen Receptor Assay	Determination of In Vitro Pharmacological Activity. The human androgen receptor (AR) assay was run using Product #IB03001 from Indigo Biosciences. The cell line provided in this kit carries a reporter gene, induced upon AR stimulation. This reporter gene is cDNA encoding for beetle luciferase, a 62 kD protein originating from the North American firefly (Photinus pyralis). This luciferase catalyzes the mono-oxidation of D-luciferin yielding oxyluciferin, adenosine monophosphate, pyrophosphate, CO2, and photon emission. The luminescence intensity of the reaction is quantified using a luminometer. To run the assay, the cells are thawed by adding pre-warmed cell recovery medium to each tube, then placed in a 37° C. water bath. 30000 viable cells in 200 &#956;l are plated (collagen coated plates) and incubated at 37° C., &#8805;85% humidity, 5% CO2 for 24 hours. Media is replaced with compound screening medium. Cells are then challenged with 125 pM (EC80) 6a-Fl Testosterone and compounds are applied in half logarithmic dilutions from 10 &#956;M to 10 nM. Assay plates are then incubated at 37° C., &#8805;85% humidity, 5% CO2 for 22-24 hours. Media is replaced with luciferase detection reagent and allowed 5 minutes to equilibrate prior to luminescence quantification. Data Analysis consisted of calculating percentage of control between 100% (Negative control:6a-Fl Testosterone) and 0 (positive control: no 6a-FL Testosterone). Fitting of normalized values was made 4-Parameter sigmoidal binding curve (Log[conc]) vs. signal.
11326	1	Factor XIa Enzyme Inhibition Assay	The ability of compounds of the present invention to inhibit Factor XIa was evaluated by determining the concentration of inhibitor, which resulted in a 50% reduction in enzyme activity (IC50) using purified enzyme. Potential inhibitors of Factor XIa were evaluated using the following assay. PyroGlu-Pro-Arg-7-methylaminocourin (AMC), available from CPC Scientific, Inc., is based on the substrate pyro-Glu-Pro-Arg-pNA (S-2366), available from Diapharma Group, Inc. (Columbus, Ohio), wherein the p-nitroanaline group is replaced with 7-methylaminocoumarin (AMC). The final concentration of the substrate in the assay was 50 &#956;M, and the final concentration of the enzyme was 0.25 nM. Inhibitors were tested by serial dilution over an appropriate range to yield a dose response curve for determination of the inhibitors&#39; IC50 value. The assay mixture was read every minute for 30 minutes in order to generate progress curves. The plates were read in a Spectramax m5 Multimode Plate Reader (Molecular Devices LLC, Sunnyvale, Calif.).
11327	1	JAK2 Binding Assay	JAK2 (JH1domain-catalytic, Y1007F,Y1008F) kinase was expressed as N-terminal fusion to the DNA binding domain of NFkB in transiently transfected HEK293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mmol/L DTT) to remove unbound ligand and to reduce nonspecific phage binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (1×PBS, 0.05% Tween 20, 0.1% BSA, 1 mmol/L DTT). Test compound was prepared as 111× stocks in 100% DMSO and directly diluted into the assay wells. All reactions were performed in polypropylene 384-well plates in a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;mol/L non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluate was measured by qPCR.
11328	1	TrkA Enzyme Activity Test	In a 10 &#956;L reaction system with a buffer of 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.1 mM sodium vanadate, 0.02 g/mL BSA, 2 mM DTT, 1% DMSO medium, containing 15 nM TrkA kinase, 0.3 &#956;M biotin-TK peptide (biotin-labeled tyrosine kinase substrate polypeptide), 100 &#956;M ATP were incubated at 23° C. for 120 minutes. The reaction was spotted on P81 ion exchange paper (Whatman #3698-915), the filter was washed thoroughly with 0.75% phosphoric acid, and the radiophosphorylated substrate remaining on the filter was measured. Kinase activity data were expressed as a percentage of kinase activity in the test sample compared to the vehicle (DMSO) reaction. IC50 and curve fitting can be obtained by Graphpad software Prism4.
11328	2	Cytochrome P450 Isoenzyme Inhibitory Activity Test	The inhibitory activities of test compound against different isoforms of human cytochrome P450 isoenzymes were determined. Experimental Operation. The test compound, standard inhibitor (100×final concentration) and mixed substrate working solution were prepared; the microsome frozen in &#8722;80° C. refrigerator was taken out and thawed. 2 &#956;L of the compound to be tested and standard inhibitor solution were added to the corresponding wells, and at the same time, 2 &#956;L of the corresponding solvent was added to the non-inhibitor control wells (NIC) and the blank control wells; secondly, 20 &#956;L of mixed substrate solution was added to the corresponding wells except the blank wells (20 &#956;L of Pb was added to the blank wells); human liver microsome solution was prepared (the solution was put back in the refrigerator immediately after using and marking the date), and then 158 &#956;L of human liver microsome solution was added to all wells; the sample plate was put in a 37° C. water bath for pre-incubation, and then a coenzyme factor (NADPH) solution was prepared; after 10 minutes, 20 &#956;L of NADPH solution was added to all wells, the sample plate was shaken well, and incubated in a 37° C. water bath for 10 minutes; at the corresponding time point, 400 &#956;L of cold acetonitrile solution (internal standard is 200 ng/mL tolbutamide and labetalol) was added to terminate the reaction; after the plates were evenly mixed, the mixture was centrifuged at 4000 rpm for 20 minutes to precipitate protein; 200 &#956;L of supernatant was added into 100 &#956;L of water, shaken well and detected by LC/MS/MS.
11329	1	Biochemical KDM5A Inhibition Assay	Using 384-well white Greiner784075 (Greiner), representative compounds were characterized for their inhibition of KDM5A using HTRF technology (Cisbio Bioassays). Briefly, the test compounds, reference compounds, and DMSO control (typical compound concentration range 1 &#956;M-10 M, final assay concentration (FAC*) of DMSO 0.5%) were added to 384-well plate by the Echo acoustic dispensing platform (Labcyte). Five (5) 1l of KDM5A protein (produced by the method described in Nat Chem Biol 12, 531-538 (2016)). (5-20 nM FAC*) in assay buffer (50 mM MES, 50 mM NaCl, 1 mM TCEP, 0.01% v/v Tween 20, 0.03% BSA, pH 6.5) was added to wells and plates were incubated for 10-20 minutes at 25 degrees celsius. Then, 5 &#956;l of alpha-ketoglutaric acid (100 &#956;M FAC*), biotin-labelled H3K4-Me3 substrate (Anaspec Cat #AS-64357-1; 200 nM FAC*), Fe(II)SO4 (100 &#956;M FAC*) and ascorbic acid (2 mM FAC*) in assay buffer was added to wells and plates were incubated for 20 minutes at room temperature. The reaction was stopped with the addition of 10 &#956;l of anti-H3K4-Me2-Eu(K) (Cisbio Bioassays Cat #61KA2KAH; 0.75 nM FAC**)+Streptavidin XL665 (Cisbio Bioassays Cat #610SAXLB; 25 nM FAC**) in HTRF detection buffer (Cisbio Bioassays Cat #62SDBRDF). The mixture was incubated for 30 minutes at room temperature before 340 nm excitation and measurement of dual emission at 620 nm and 665 run. *FAC: final assay concentration calculated based on 10 &#956;l of the assay buffer**FAC: final assay concentration calculated based on 20 &#956;l of the detection buffer.
11330	1	Enzymatic Assay	Displacement of Probe A, a biotinylated probe binding to the TIPARP active site, was measured using a time-resolved fluorescence energy transfer (TR-FRET) assay. 20 nL of a dose response curve of each test compound was spotted in black 384-well polystyrene proxiplates (Perkin Elmer) using a Mosquito (TTP Labtech). Reactions were performed in a 8 &#956;l volume by adding 6 &#956;L of TIPARP and Probe A in assay buffer (20 mM HEPES pH=8, 100 mM NaCl, 0.1% bovine serum albumin, 2 mM DTT and 0.002% Tween20), incubating with test compound at 25° C. for 30 min, then adding 2 &#956;L of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin (Perkin Elmer). The final concentrations of TIPARP and Probe A were 6 nM and 2 nM, respectively. The final concentration of ULight-anti 6×His and LANCE Eu-W1024 labeled streptavidin were 4 nM and 0.25 nM, respectively. Reactions were incubated at 25° C. for an additional 30 min, then read on an Envision platereader equipped with a LANCE/DELFIA top mirror (Perkin Elmer) using excitation of 320 nm and emission of 615 nm and 665 nM with a 90 is delay. The ratio of the 665/615 nm emission were calculated for each well to determine the amount of complex of TIPARP and Probe Ain each well. Control wells containing a negative control of 0.25% DMSO vehicle or a positive control of 100 &#956;M 5-(5-(piperidin-4-yloxy)isoindolin-2-yl)-4-(trifluoromethyl)pyridazin-3(2H)-one were used to calculate the % inhibition.
11331	1	JAK2 LanthaScreen JH1 Binding Assay	JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein in a baculovirus expression system (Carna Biosciences, Product #08-445-20N). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH1 (1.5 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM fluorescent JAK2-JH1 tracer and 0.5 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 2 hours at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11331	2	JAK2 LanthaScreen JH2-WT Binding Assay	JAK2 JH2-WT binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human Wild Type JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79463). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-WT (0.145 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11331	3	JAK2 LanthaScreen JH2-V617F Binding Assay	JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mutant JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79498). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-V617F (0.26 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11332	1	In Vitro Competitive Activity-Based Protein Profiling (Human)	Proteomes (human prefrontal cortex or cell membrane fractions) (50 &#956;L, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying concentrations of inhibitors at 37° C. After 30 min, FP-Rh or JW912 (1.0 &#956;L, 50 &#956;M in DMSO) was added and the mixture was incubated for another 30 min at room temperature. Reactions were quenched with SDS loading buffer (15 &#956;L-4×) and run on SDS-PAGE. Following gel imaging, serine hydrolase activity was determined by measuring fluorescent intensity of gel bands corresponding to MAGL using ImageJ 1.49k software.
11333	1	Biological Assay	Assay Principle: The PDE reaction cleaves cAMP to AMP. The IMAP system (Molecular Device) using fluorescence polarization (FP) as detection principle was used to measure enzyme activity. A fluorescent labeled cAMP was used as substrate for the reaction, generating a labeled AMP. The fluorescent AMP binds specifically to the large M(III)-based nano-particles which reduces the rotational speed of the substrate and thus increases its polarization.</p><p id="h-0016" num="0000">Detailed Method:The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for 3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed. All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component). Compounds were serial diluted in DMSO. With an intermediate dilution step with reaction buffer DMSO concentration was reduced to achieve 1% DMSO in the assay reaction. Setup of the assay started with 10 &#956;l enzyme ( 10 ng/well, depending on prep. batch), 5 &#956;l compound, reaction was started by addition of 5 &#956;l labeled cAMP (30 nM, final concentration), immediately mixed for 15 seconds on a Eppendorf mixmate (2000 rpm) followed by an incubation at room temperature for 90 minutes in the dark. Reaction is stopped by adding of 60 &#956;l binding buffer for FP/cAMP (kit component). After at least 90 min of further incubation (room temperature, dark) the assay was measured at 485 nm excitation/525 nm emission in an Envision multilabel reader (PerkinElmer).Each assay plate contained wells with vehicle controls (1% DMSO) for the measurement of non-inhibited reaction (=100% control) and wells without enzyme as 0% controls.
11335	1	TGF&#946;R1 Kinase Inhibition Assay	TGF&#946;R1 kinase assay was performed according to the instruction manual of the ADP-Glo&#153; Kinase Assay kit provided by Promega. Prepare 1× Kinase buffer (50 mM Tris pH7.5, 0.1% BSA, 10 mM MgCl<sub>2</sub>, 1 mM DTT). Before activation reaction was started, Compounds were dissolved in DMSO and make 100× solution with 3-fold serial dilution for a total of 10 concentrations. Transfer 50 nL compounds to 384-well plate according to plate map using the automated liquid handler. Prepare enzyme mix containing 2× enzyme mix containing 40 nM TGF&#946;R1 with 1× Kinase buffer, add 2.5 &#956;L enzyme mix to 384-well plate and pre-incubate with compounds at RT for 10 minutes. Prepare 2× substrate mix containing 5.4 &#956;M ATP 1× Kinase buffer and add 2.5 &#956;L substrate mix to 384-well plate, react at RT for 120 min. Add 5 &#956;L ADP-Glo Reagent to terminate the kinase reaction and deplete the remaining ATP, incubate at RT for 60 minutes. Add 10 &#956;L Kinase Detection Reagent to convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferin reaction, incubate at RT for 30 minutes. Collect luminescence data with Envision.
11336	1	Enzyme-Linked Immunosorbent Assay ELISA	Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
11337	1	Inhibition of Mcl-1 by fluorescence polarization (FP) assay	The relative binding potency of representative Compounds of the Disclosure was determined by a fluorescence polarization (FP) assay. The method used a fluorescein labelled peptide (FAM-Bid) which binds to the Mcl-1 protein leading to an increased anisotropy measured in milli-polarization (mP) values using a plate reader. A 21-residue Bid BH3 peptide (residues 79-99) [Swiss-Prot: P55957] was labeled at the N-terminus with 6-carboxyfluorescein succinimidyl ester (FAM) to give FAM-Bid as a tracer in the FP competitive binding assay. Tag-free Mcl-1 protein (residues 171-323) was used in the FP assay (Mady et al,Scientific Reports 8: 10210-10210 (2018); Yang et al, ACS Med. Chem. Lett. 3:308-312 (2012)). The addition of compounds which binds competitively to the same site as the labelled peptide will result in a greater proportion of unbound peptide in the system indicated by a decreased mP value. A 10-points serial dilution of each compound was prepared in DMSO and 5 &#956;L solution was transferred into flat bottomed, 96-well back plate (final DMSO concentration 5%). 120 &#956;L of Buffer (PBS, 0.01% BGG (Sigma Cat. #SRE0011), 0.01% Triton X-100), containing the Fluorescein labelled peptide (Final concentration 2 nM) and Mcl-1 protein (final concentration 20 nM) was then added. Assay plates were incubated 30 mins at room temperature with gentle shaking before FP was measured on a Biotek Synergy 1MF reader (Ex. 485 nm, Em. 528 nm, Cut off 510 nm) and mP calculated. The binding of increasing doses of test compounds was expressed as a percentage reduction in mP compared to a window established between 5% DMSO only and 100% inhibition controls (no Mcl-1 protein). 10-points dose response curves were plotted with GraphPad software using Sigmoidal Dose-Response Model and the IC50 values were determined by nonlinear regression fitting of the competition curves.
11338	1	SHP2 Biochemical Assay	The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing two appropriately spaced phosphotyrosine. Full length SHP2 protein (Recombinant HumanSHP-2,E. coli derived Ser2Arg593, N-terminal 6His tag from R&D systems; 0.0.24 nM) was incubated with activating peptide, IRSI_2pY (New England Peptide, 140 nM) and DiFMUP (molecular probes, 80 uM) at RT in buffer (HEPES pH 7.2 60 mM, DDT 5 mM, KCl 75 mM, NaCl 75 mM, EDTA 1 mM, Tween 20 0.05%) in presence of compound (10 concentrations range, top concentration 50 &#956;M) for 60 min. The generation of the DiFMU product by activated SHP2 was monitored through Fluorescence measurement with a PerkinElmer Envision reader. The inhibitor dose response curves were analyzed with Genedata Screener.
11339	1	Inhibitory Effect on HER2-Phosphorylating Activity (In Vitro)	For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, ProfilerPro Peptide 22 from PerkinElmer Inc. was used as a substrate on the basis of the report (PLoS One, 6 (7), e21487, 2011) on HER2 kinase reaction using, as a substrate, a peptide having the same sequence (5-FAM-EEPLYWSFPAKKK-CONH2) as that of ProfilerPro Peptide 22. The purified recombinant human HER2 protein used in the test was purchased from Carna Biosciences, Inc.For the inhibitory activity measurement of each compound, the synthesis example compound was first serially diluted with dimethyl sulfoxide (DMSO). Next, the HER2 protein, the substrate peptide (final concentration: 0.5 &#956;M), manganese chloride (final concentration: 10 mM), ATP (final concentration: 6 &#956;M), and the solution of the synthesis example compound in DMSO (final concentration of DMSO: 5%) were added into a buffer solution for kinase reaction (15 mM Tris (pH 7.5), 2 mM dithiothreitol, and 0.01% Tween 20), and the mixture was incubated at 25° C. for 40 minutes for kinase reaction. The reaction was terminated by adding EDTA (final concentration: 30 mM) thereto. Finally, the unphosphorylated substrate peptide (S) and the phosphorylated peptide (P) were separated and detected by microcapillary electrophoresis using LabChip EZ Reader II (PerkinElmer Inc.).
11340	1	Radioligand Binding Assay on Mouse TAAR1	The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 &#956;M to 10 &#956;M) in duplicates. The test compounds (200 &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2(10 mM) and CaCl2) (2 mM) (binding buffer), 300 &#956;l of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 60 &#956;g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 si of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
11340	2	Radioligand Binding Assay on Rat TAAR1	The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 &#956;M unlabeled ligand. All compounds were tested at a broad range of concentrations (10 &#956;M to 10 &#956;M) in duplicates. The test compounds (20&#9633; &#956;l/well) were transferred into a 96 deep well plate (TreffLab), and 180 &#956;l of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2(10 mM) and CaCl2) (2 mM)(binding buffer), 300 &#956;l of the radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3×Kd in nM and 500 &#956;l of the membranes (resuspended at 50 &#956;g protein per ml) added. The 96 deep well plates were incubated for 1 hr at 4° C. Incubations were terminated by rapid filtration through Unifilter-96 plates (Packard Instrument Company) and glass filters GF/C (Perkin Elmer) presoaked for 1 hr in polyethylenimine (0.3%) and washed 3 times with 1 ml of cold binding buffer. After addition of 45 &#956;l of Microscint 40 (PerkinElmer) the Unifilter-96 plate was sealed and after 1 hr the ratioactivity counted using a TopCount Microplate Scintillation Counter (Packard Instrument Company).
11341	1	Biochemical JAK and Tyk2 Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially or discretely diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
11342	1	BCL-2 TR-FRET Assay	The following assay concentrations and times were used: 3 ng BCL-2, 5 &#956;l of 1:100 anti-His Tb-labeled donor, 5 &#956;l of 1:100 Dye-labeled acceptor, 5 &#956;l of 1:40 BCL-2 Peptide Ligand, and 2 ul of test compound, with 60 min incubation time. The results of the assay were read using a Clariostar (BMG Labtech) plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 &#956;sec Delay; and 500 &#956;sec integration.
11342	2	BCL-XL TR-FRET Assay	The following assay concentrations and times were used: 10.5 ng BCL-XL, 5 &#956;l of 1:100 anti-His Tb-labeled donor, 5 &#956;l of 1:100 Dye-labeled acceptor, 5 &#956;l of 1:80 BCL-XL Peptide Ligand, and 2 &#956;l of test compound, with 60 min incubation time. The results of the assay were read using a Clariostar (BMG Labtech) plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 &#956;sec Delay; and 500 &#956;sec integration.
11342	3	MCL-1 TR-FRET Assay	The following assay concentrations and times were used: 10 ng MCL-1, 5 &#956;l of 1:200 anti-His Tb-labeled donor, 5 &#956;l of 1:200 Dye-labeled acceptor, 5 &#956;l of 1:10 MCL-1 Peptide Ligand, and 2 &#956;l of test compound, with 60 min incubation time. The results of the assay were read using a Clariostar (BMG Labtech) plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 &#956;sec Delay; and 500 &#956;sec integration.
13306	1	Enzymatic Assay	Detection of Myt1 kinase activity utilized a recombinant human Myt1 kinase assay measuring the hydrolysis of ATP using a commercially available ADP-Glo Assay (ADP-Glo™ Kinase Assay from Promega, 10 000 assays, #V9102). Briefly, 5 μL recombinant human Myt1 (full length PKMYT1 recombinant human protein expressed in insect cells from Thermo Fisher #A33387; ˜ 80% purity) was prepared in reaction buffer (70 mM HEPES, 3 mM MgCl2, 3 mM MnCl2, 50 μg/ml PEG 20000, 3 μM Na-orthovanadate, 1.2 mM DTT) and added to 384 well white polystyrene, flat bottom well, non-treated, microplate (Corning #3572). After this, 5 μL of compounds (diluted in reaction buffer to 0.5% DMSO) was added to the microplate and the plate was spun briefly and incubated at 22° C. for 15 minutes. Ultra-Pure Adenosine Triphosphate (ATP) solution (ADP-Glo kit from Promega) was diluted in reaction buffer and 5 μL was added to the microplate, spun down briefly and incubated for 60 minutes at 30° C. The final Myt1 enzyme concentration was 18 nM and the final ATP concentration was 10 UM. After the 60-minute incubation, 15 UL of ADP-Glo reagent was added and the plate was spun briefly and sealed and incubated in the dark for 40 minutes at 22° C. Following this, 30 UL of kinase detection reagent was added per well and the plate was spun briefly, sealed and incubated for 45-60 minutes at 22° C. in the dark. Luminescence was read using the Envision (250 ms integration). The IC50 and the % max inhibition were calculated for each inhibitor compound tested.
13307	1	In Vitro ATR Kinase Inhibition Assay	Experimental method: The inhibitory activity of the compounds on ATR kinase in vitro was determined by Mobility Shift Assay at an ATP concentration of Km using Caliper EZ Reader as a mobility shift assaying technology based on microfluidic chip technology.Experimental materials and instruments: ATR kinase (Eurofins, Cat. No. 14-953); 5-FAM-AK-17 (Gill Biochemistry, Cat. No. 524315); 1× kinase buffer (50 mM HEPES pH 7.5, 0.0015% Brij-35, 1 M MnCl2); termination buffer (100 mM HEPES pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA); Caliper EZ Reader (Caliper Life Sciences).Experimental procedure: (1) The compounds to be tested were dissolved in DMSO and serially diluted 4× for a total of 10 concentrations; (2) 0.06 μL of the compounds at different concentrations were pipetted into a 384-well plate using an Echo pipetting system; (3) a 2× kinase solution with a concentration of 10 nM ATR kinase was prepared from the ATR kinase and the 1× kinase buffer; and a 2× substrate solution with a concentration of 6 μM 5-FAM-AK-17 and 4 μM ATP was prepared from 5-FAM-AK-17, ATP and the 1× kinase buffer; (4) 10 μL of the 2× kinase solution was added into the 384-well plate and incubated for 10 min at room temperature; 10 μL of the 2× substrate solution was then added and incubated for 4 h at 28° C.; (5) 30 μL of the termination buffer was added to terminate the reaction, and then the 384-well plate was put into the Caliper EZ Reader to read the conversion rate data.
13308	1	Measurement of LSD1 Inhibitory Activity (In Vitro)	To measure the inhibitory activity, first, the Example compound was serially diluted in dimethylsulfoxide (DMSO). Sequentially, the serially diluted solution of the Example compound in DMSO (final concentration of DMSO: 5%) and human LSD1 protein (Abcam, ab80379) were added to a reaction buffer (25 mM Tris-HCl (pH 7.5), 50 mM KCl, 2 mM CHAPS, 1 mM DTT, 0.02% BSA). The mixture was preincubated at 25° C. for 30 minutes. Thereafter, a H3K4 (Mel)-biotin-labeled peptide (Anaspec #64355) (final concentration: 200 nM) was added thereto and reacted for 60 minutes. Tranylcypromine (final concentration: 3 mM) was then added thereto to terminate the reaction. Thereafter, a detection solution containing an Eu-labeled anti-H3K4 antibody (PerkinElmer, TRF0404) and Streptavidin Alexa Fluor 647 (Thermo Fisher Scientific, S21374) was added thereto, and the mixture was allowed to stand at room temperature for 1 hour. Finally, the intensity of fluorescence under the excitation light with a wavelength of 337 nm was measured with a PHERAstar FS (BMG Labtech) at two wavelengths: 620 nm and 665 nm. The demethylation level was calculated from the ratio of the fluorescence intensity at the two wavelengths, and the compound concentration at which demethylation was inhibited by 50% was defined as IC50 (nM).
13309	1	Patch Clamp Experiments	TRPV3 cells were induced 20-48 hours, removed from growth plates, and replated at low density (to attain good single-cell physical separation) on glass coverslips for measurement. In some cases, cells were grown in low density overnight on glass coverslips. Patch clamp recordings were made in the whole-cell mode with a holding potential of −40 mV. Every 5 seconds, a voltage ramp was applied from −120 to +100 mV, 400 ms in duration. Currents elicited were quantified at −80 mV and +80 mV. The internal solution consisted of 140 mM cesium aspartate, 10 mM EGTA, 2.27 mM MgCl2, 1.91 mM CaCl2) and 10 mM HEPES, pH to 7.2 with KOH; with 50 nM calculated free Ca21. External solution was Ringer&#39;s solution described above. Upon addition of 2-APB or upon heating of the extraceullar solution as described above, TRPV3 current was induced only in TRPV3-expressing cells and not in parental HEK293 TREx cells. This current showed a small inward component, reversal near +10 mV and a strong outward rectification, and is referred to as Phase I. Upon continued or repeated readdition of 2-APB or heat as a stimulus, current characteristics change, resulting in a Phase II that is linear through +10 mV. Removal of the stimulus caused most of the current to go away, and inhibitor addition could still inhibit this current. Compounds of interest were tested against TRPV3 at concentrations up to 30 μM, and the resulting data was used to estimate IC50 for inhibition of the Phase 1 and Phase 2 TRPV3-mediated currents.
11344	1	SHP2 Allosteric Inhibition Assay	SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SHP2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.<p id="p-0219" num="0218">More specifically, the phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 50 &#956;l and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA 0.005% Brij-35, 5 mM DTT. The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.25 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRSl_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide). After 30-60 minutes incubation at 25° C. the surrogate substrate DiFMUP (Invitrogen, cat #D6567, 100 &#956;M final) was added to the reaction and the conversion of DiFMUP to 6,8-difluoro-7-hydroxyl-4-methylcoumarin (DiFMU) was monitored continuously for 10 minutes with excitation at 355 nm and emission at 460 nm using a microplate reader (PolarStar, BMG).
11345	1	TBD	TBD
11345	2	TBD	TBD
11345	3	TBD	TBD
11346	1	ENPP1 Activity Assay	Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate paranitrophenol (TMP-pNP) as a substrate. Enzyme reactions were prepared with TMP-pNP (2 &#956;M), 5-fold dilutions of ENPP1 inhibitor, and purified recombinant mouse ENPP1 (0.5 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature. Reaction progress was monitored by measuring absorbance at 400 nm of paranitrophenolate produced by the reaction for 20 minutes. Slopes of product formation were extracted, plotted, and fit to obtain IC50 values with Graphpad Prism 7.03. Compounds were also assessed in an ENPP1 enzyme activity assay using 32P cGAMP as a substrate. Radiolabeled32P cGAMP was synthesized by incubating unlabeled ATP (1 mM) and GTP (1 mM) doped with 32P-ATP with 2 &#956;M purified recombinant porcine cGAS in 20 mM Tris pH 7.5, 2 mM MgCl2, 100 &#956;g/mL herring testes DNA overnight at room temperature, and the remaining nucleotide starting materials were degraded with alkaline phosphatase for 4 h at 37° C. The probe 32P-cGAMP (5 &#956;M) was incubated with purified recombinant mouse ENPP1 (20 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature for 5 hours. To generate enzyme inhibition curves, 5-fold dilutions of ENPP1 inhibitor were included in the reaction. Degradation was evaluated by TLC (as described by Li et al. Nat. Chem. Biol. (2014) 10:1043-8). Plates were exposed on a phosphor screen (Molecular Dynamics) and imaged on a Typhoon 9400 and the 32P signal was quantified using ImageJ. Inhibition curves were fit to obtain IC50 values using Graphpad Prism 7.03.
11347	1	Biological Assay	In vitro characterization of biological activity of the examples was conducted on synthetically prepared samples of the phosphorylated compounds. S1P1Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1×109 cells/pellet) were suspended in buffer containing 20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), pH 7.5, 50 mM NaCl, 2 mM EDTA (Ethylenediaminetetraacetic acid) and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at &#8722;80° C. after protein concentration determination. Membranes (2 &#956;g/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, Perkin elmer or American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2), 0.5% fatty acid free BSA (bovine serum albumin), 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 l/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well Millipore FB filter plates, and radioactivity was measured by TOPCOUNT . The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding. The IC50 is defined as the concentration of competing ligand needed to reduce specific binding by 50%.
11348	1	SHP2 Biochemical Assay	The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing two appropriately spaced phosphotyrosine. Full length SHP2 protein (Recombinant HumanSHP-2,E. coli derived Ser2Arg593, N-terminal 6His tag from R&D systems; 0.0.24 nM) was incubated with activating peptide, IRSI_2pY (New England Peptide, 140 nM) and DiFMUP (molecular probes, 80 uM) at RT in buffer (HEPES pH 7.2 60 mM, DDT 5 mM, KCl 75 mM, NaCl 75 mM, EDTA 1 mM, Tween 20 0.05%) in presence of compound (10 concentrations range, top concentration 50 &#956;M) for 60 min. The generation of the DiFMU product by activated SHP2 was monitored through Fluorescence measurement with a PerkinElmer Envision reader. The inhibitor dose response curves were analyzed with Genedata Screener.
11348	2	In-Vitro Safety Profile-Testing the Selectivity Over hErg	Inhibition of the ion channel hErg (or Kv11.1) current causes QT interval prolongation resulting in potentially fatal ventricular tachyarrhythmia called Torsade de Pointes. This is one of the major causes of cardiotoxicity and hErg channel activity is usually evaluated early in the drug development process to mitigate cardiotoxicity risk.hERG ion channel activity was assessed using a patch clamp technique in stable Kv11.1 (hERG) transfected human embryonic kidney cell line (HEK293). Whole cell recordings were carried out with an automated patch clamp device Patchliner&#153; from Nanion Technologies, Munich following manufacturer recommendation. Different concentrations of the test compound or reference, quinidine, were applied to whole cells suspension and current was measured using a pulse pattern with fixed amplitudes. The effect on Kv11.1 (hERG) ion channel activity was judged from the tail current amplitude and Changes in Kv11.1 (hERG) ion channel activity between control value (defined as 100%) and test compound and reported as percent change of control value of COI.
11348	3	SHP2 Biochemical Assay (with IRSI_2pY)	The inhibition of SHP2 by compounds of the invention was monitored using the surrogate substrate DiFMUP after protein activation by a peptide bearing two appropriately spaced phosphotyrosine. Full length SHP2 protein (Recombinant HumanSHP-2,E. coli derived Ser2Arg593, N-terminal 6His tag from R&D systems; 0.0.24 nM) was incubated with activating peptide, IRSI_2pY (New England Peptide, 140 nM) and DiFMUP (molecular probes, 80 uM) at RT in buffer (HEPES pH 7.2 60 mM, DDT 5 mM, KCl 75 mM, NaCl 75 mM, EDTA 1 mM, Tween 20 0.05%) in presence of compound (10 concentrations range, top concentration 50 &#956;M) for 60 min with activating IRSI_2pY. The generation of the DiFMU product by activated SHP2 was monitored through Fluorescence measurement with a PerkinElmer Envision reader. The inhibitor dose response curves were analyzed with Genedata Screener.
11349	1	In Vitro Kinase Assay - Inhibition of ALK1/2/3/4/5/6 Kinases	Compound of the invention were screened in an in vitro kinase assay against several members of the TGF&#946;3 family of Ser/Thr kinases. The kinases tested were ALK1 (ACVRL1), ALK2 (ACVR1), ALK3 (BMPR1A), ALK4 (ACVR1B), ALK5 (TGFBR1), and ALK6 (BMPR1B). Standard kinase testing conditions and techniques were employed. For each case, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compound of the invention were delivered into the reaction, followed 15-20 min later by addition of a mixture of ATP and 33P ATP to a final concentration of 10 &#956;M. Reactions were carried out at RT for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper. Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. Kinase activity data was expressed as the percent of remaining kinase activity in test samples compared to vehicle.
11350	1	Scintillation Proximity Assay (SPA)	Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained DMSO with no test compound, and another column was designated as the low signal control (maximal inhibition), and contained no protein. Serial dilutions of compounds to be tested were added to the assay plate (resulting in duplicate 11-point dose response with semi-log compound dilutions from 50 &#956;M to 0.5 nM or from 5 &#956;M to 0.05 nM for the most potent compounds). A 1/20 isotopic dilution of labeled (Compound B) and non-labeled covalent (Compound A) probe was prepared and added to all wells on the plate. The reaction was started by addition of KRasG12C (M1-K169, biotinylated on the N-terminus) to the compounds and incubated for 2 hours with continuous agitation allowing for full modification of KRasG12C with probe or test compounds. Final concentrations in an assay volume of 40 &#956;L were 10 nM KRasG12C, 25 nM radio-ligand and 475 nM unlabelled ligand. The assay buffer contained 20 mM Tris-HCl pH 7.5 (Invitrogen), 150 mM NaCl (Sigma Aldrich), 0.1 mM MgCl2 (Sigma Aldrich), and 0.01% Tween-20 (Sigma Aldrich). Following addition of 50 &#956;L of a 400 &#956;g/ml. suspension of streptavidin-coated YSi beads (Perkin Elmer), plates were incubated for a further 30 min with continuous agitation before reading the plates on a scintillation counter (Topcount NXT 384 (Packard).
11351	1	SHP2 Allosteric Inhibition Assay	The inhibition of SHP2 by compounds of the present disclosure (concentrations varying from 0.00005-10 &#956;M) was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) or Activating Peptide 2 (sequence: H2N-LN(pY)AQLWHA(dPEG8)LTI(pY)ATIRRF-amide). After 30-60-minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
11352	1	Biological Assay	IRAK4 enzyme (Carna Biosciences, Chuo-ku, Kobe, Japan) activity was measured by detecting phosphorylated peptide substrate formation using an antibody against the phosphorylated peptide substrate. This is a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay, based on the STK1 KinEASE Assay (Cisbio, Bedford, Mass.). The assay was designed as a simple two-step, endpoint assay (a 5 &#956;l enzyme reaction followed by 5 &#956;l stop and detect Solution) performed in ProxiPlate-384 Plus plates (Perkin Elmer, Waltham, Mass.). Staurosporine, a non-selective kinase inhibitor was used as a positive control. Compounds diluted in DMSO were spotted into 384 well plates using a Labcyte Echo 550 Liquid Handling System prior to addition of IRAK4 enzyme and peptide substrate. Reaction solutions were delivered using a Multi-Flo (Bio-Tek Instruments). The enzyme and peptide solution was incubated with compound for 15 minutes at room temp before the reaction was initiated by the addition of ATP. The standard 5 &#956;l reaction mixture contained 500 &#956;M ATP, 2 &#956;M peptide (STK1 Peptide), 0.75 nM of IRAK4 in reaction buffer (50 mM HEPES, pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 0.025% NP-40, 1 mM DTT). After 120 min of incubation at room temperature, 5 &#956;l of Stop and Detect Solution (1:100 Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM Tracer in a 50 mM HEPES pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 60 minutes at room temperature and read on Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. Fluorescence intensities at 615 nm and 665 nm emission wavelengths were expressed as a ratio (665 nm/615 nm).
11353	1	LanthaScreen JAK Biochemical Assays (JAK1, 2, 3 and Tyk2)	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls. For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software).
11354	1	AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 &#956;L for BD1 and 60 &#956;L for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 &#956;L of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 &#956;g/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
11355	1	HTRF Displacement Assay	Table 21: This Example illustrates that exemplary compounds of the present invention bind to SOS1 and prevent a labeled tracer ligand from occupying the SOS1 binding site. The ability of a compound of Formula (I) to bind to SOS1 was measured using a HTRF displacement assay. A recombinant human SOS1 polypeptide (corresponding to amino acids 564-1049, expressed in E. Coli with N-terminal StrepII-TEV, C-terminal His-tag. MW=60.59 kDa) was incubated with an exemplary compound of Formula (I) (in a DMSO stock solution) in buffer (25 mM HEPES pH 7.5, 25 mM NaCl, 1 mM DTT, 0.01% Brij 35, 0.02% BSA, 0.1% DMSO). After a 15-minute incubation at room temperature, a solution comprised of a custom-made Cy5 labelled tracer and MAb Anti-6HIS Tb cryptate Gold (Cisbio 61HI2TLA) in buffer was added to the solution containing the SOS1 polypeptide and exemplary compound of Formula (I). After a 1-hour incubation at room temperature, the HTRF signal was measured using Envision plate reader (Perkin Elmer) according to the manufacturer&#39;s instructions. Excitation was from over a range of 245-395 nm, and emission 1 was detected at (657.5-672.5) nm and emission 2 detected at (606.5-623.5) nm. The HTRF ratio was calculated using the formula: [emission 1/emission 2]*10000.
11355	2	Inhibition of Labeled Tracer Ligand	Table 22: This Example illustrates that exemplary compounds of the present invention bind to SOS1 and prevent a labeled tracer ligand from occupying the S0S1 binding site. The ability of a compound of Formula (I) to bind to SOS1 was measured using a HTRF displacement assay. A recombinant human SOS1 polypeptide (corresponding to amino acids 560-1049, expressed in E. Coli with N-terminal His-TEV-AviTag-SOS1 (MW=59.4 kDa) and lanthanide labeled streptavidin (CisBio) was incubated with an exemplary compound of Formula (I) (in a DMSO stock solution) in buffer (25 mM HEPES pH 7.5, 25 mM NaCl, 1 mM DTT, 0.01% Brij 35, 0.02% BSA, 0.1% DMSO). After a 10-15 minute incubation at room temperature, a solution comprised of a custom-made Cy5 labelled tracer and MAb Anti-6HIS Tb cryptate Gold (Cisbio 61HI2TLA) in buffer was added to the solution containing the SOS1 polypeptide and exemplary compound of Formula (I). After a 1-hour incubation at room temperature, the HTRF signal was measured using Clairostar plate reader (BMG Labtech) according to the manufacturer&#39;s instructions. Excitation filter EX-TR was used, and emission 1 was detected at 650-610 nm and emission 2 detected at 620-610 nm. The HTRF ratio was calculated using the formula: [emission 1/emission 2]*10000.
11355	3	SOS1 Binding and Inhibition Assay	Table 23: This Example illustrates that exemplary compounds of the present invention bind to SOS1 and inhibit the SOS1-mediated nucleotide exchange of mantGDP (preloaded into human KRAS) with GTP within a recombinant human KRAS.The ability of an exemplary compound of Formula (I) to bind to SOS1 and inhibit the nucleotide exchange of mantGDP with GTP within recombinant human KRAS was measured using a fluorescence assay. Recombinant human SOS1 polypeptide (corresponding to amino acids 564-1049, expressed in E. coli with a C-terminal StrepII tag. MW=60.59 kDa) in buffer (40 mM HEPES 7.4, 10 mM MgCl2, 1 mM DTT, 0.002% Triton X100, 0.1% DMSO) was incubated with an exemplary compound of Formula (I) (in a DMSO stock solution) at room temperature for 15 minutes. A mixture of preloaded mantGDP recombinant human KRAS polypeptide (corresponding to amino acids 2-169, expressed in E. coli with an N-terminal TEV cleavable his-tag. MW 21.4 kDa) and GTP was incubated for 5 minutes in buffer (40 mM HEPES 7.4, 10 mM MgCl2, 1 mM DTT 0.002%, Triton X100, 0.1% DMSO) at room temperature, then added to the SOS1/compound mixture. Reaction progress was monitored at room temperature for 60 minutes using a Clariostar plate reader (excitation 370±15 nm, emission 450±20 nm) according to the manufacturer&#39;s instructions. The slope of the linear portion of the progress curve was calculated using a Clariostar software. Typical analysis interval was 8-30 minutes. Background signals were calculated from well without protein added. The background subtracted signals were converted to % activity relative to DMSO controls. Data were analyzed using GraphPad Prism 4 software with the settings: sigmoidal dose-response (variable slope) ; 4 parameters with Hill Slope (Constraints: Bottom=Constant equal to 0; Top=Must be less than 120).
11355	4	Inhibiting SOS1-Mediated GTP Nucleotide Exchange by Blocking Mant-GDP Exchange	Table 24: This Example illustrates that exemplary compounds of the present invention prevent KRas-mediated GTP nucleotide exchange mediated by SOS1 to inhibit KRas activity thereby inhibiting the generation of the downstream effector pERK. MKN1 cells (15,000/w) or H358 (30,000/w) were seeded in a black clear flat bottom 96-well cell culture plate (Corning, #3904) and incubated at 37° C. overnight. Assay day 1, cells were dosed with compounds of Formula (I) with a 10 &#956;m starting concentration and serially diluted 3× for a total of 9 concentrations. The cells were incubated for approximately 0.5-1 hour with the compounds solubilized in DMSO at 37° C. Cells were immediately fixed by adding 50 &#956;L of 4% formaldehyde to all wells in a fume hood and the plates were incubated for 20 minutes at room temperature. The formaldehyde was discarded from the plates and 150 &#956;L of ice-cold methanol was added to permeabilize the cells for 10 minutes at &#8722;20° C. The methanol was discarded from each of the plates and any liquid remaining in the plate by tapping the plate against paper towels. Cells were then blocked with 150 &#956;L of Odyssey blocking buffer (LI-COR Biosciences #927-50010) using 0.05% Tween for 1 hour at room temperature on a shaker. The blocking buffer was discarded and 50 &#956;L of primary antibodies pERK (cell signaling Technology #9101L; Rabbit, 1:500) and GapDH (Millipore #MAB34; Mouse, 1:5000) diluted in Odyssey blocking buffer was added. The plates were incubated overnight at 4° C. on a shaker. On Assay Day 2, the primary antibody solution was removed. Each plate was washed 3× times with 150 &#956;L of 1×PBST (PBS+0.1% Tween 20) and incubated with 50 &#956;L of secondary antibodies: Anti-Rabbit (LI-COR Biosciences #926-32211) and Anti-Mouse (LI-COR Biosciences #68070) at 1:800 dilution in Odyssey blocking buffer with Tween at room temperature on a shaker for 2 hours (protected from light). The secondary antibody solution as removed and each plate was washed with PBST 3× times. Any liquid remaining was discarded and the plate was imaged using the Licor Odyssey machine according to the manufacturer&#39;s instruction, using a set focus length at 3 mm and both 800 nm and 700 nm filters. The GAPDH normalized scan values for each well were divided by the average of vehicle wells to get the % of pERK inhibition. The IC50 values were then calculated with the Graph pad Prism software.
11356	1	IRAK4 Enzymatic DELFIA Assay, Protocol B	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with the human IRAK4 kinase domain (aa 154-460) construct to characterize IRAK4 inhibitor and control compounds at 0.6 mM ATP (KM). The final amount of enzyme in the assay is 114 &#956;M IRAK4 kinase domain, final concentration of substrate is 200 nM, and final concentration of DMSO is 5%.The test compound was solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 2 mM primary compound concentration, and then diluted in DMSO in a four-fold series for a total of 10 data points. Compounds were prepared as a 20-fold multiple of the final in-assay concentration. To begin the assay, 45 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 228 &#956;M phosphorylated recombinant human IRAK4 kinase domain (aa 154-460; GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 96-well, U-Bottom Plates (Corning Life Sciences). 5 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 15 minutes at room temperature. Then 50 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 400 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) were added to start the reaction. The reaction was incubated for 90 minutes at room temperature and stopped by the addition of 25 &#956;L 0.5M EDTA. 100 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (EvenCoat Streptavidin Coated Plates, 96-Well, R&D Systems) and incubated for 30 minutes at room temperature. The plates were washed 4 times with 100 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody (Cell Signaling Technology) diluted 1:5000, plus Anti-Rabbit IgG EuN1 at 0.242 &#956;g/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4x with 100 &#956;L per well of PBS containing 0.05% Tween-20. Then 100 &#956;L per well of DELFIA Enhancement Solution were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission detection.
11356	2	IRAK4 Enzymatic DELFIA Assay, Protocol A	This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-Elmer) platform, with the human IRAK4 FL (Full Length) construct to characterize IRAK4 inhibitor and control compounds at 0.6 mM ATP (KM). The final amount of enzyme in the assay is 0.1 nM IRAK4 FL, final concentration of substrate is 50 nM, and final concentration of DMSO is 2.5%. The test compound was solubilized in DMSO to a stock concentration of 30 mM. The dose response plates were prepared with a 4 mM primary compound concentration, and then diluted in DMSO in a four-fold series for a total of 11 data points. Compounds were prepared as a 40-fold multiple of the final in-assay concentration. To begin the assay, 19 &#956;L of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, 0.21 nM Full-length phosphorylated recombinant human IRAK4 (GenBank ID AF445802) were aliquoted into Ultra-Clear Polypropylene, 384-well, U-Bottom Plates (Corning Life Sciences). 1 &#956;L of test compound from the dose-response plate was added to the reaction mixture and incubated for 20 minutes at room temperature. Then 20 &#956;L of 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 &#956;M ATP, and 100 nM ERM-biotinylated peptide (AGAGRDKYKTLRQIR) was added to start the reaction. The reaction was incubated for 60 minutes at room temperature and stopped by the addition of 20 &#956;L 0.3M EDTA. 50 &#956;L of the reaction mixture was transferred to a streptavidin coated detection plate (DELFIA streptavidin coated plates, 384-well, white plates, Perkin-Elmer Life Sciences) and incubated for 30 minutes at room temperature. The plates were washed 4x with 75 &#956;L per well of PBS containing 0.05% Tween-20. Plates were then incubated with 50 &#956;L per well of antibody cocktail of Anti-pERM antibody at 0.125 &#956;g/mL (Cell Signaling Technology), plus Anti-Rabbit IgG EuN1 at 0.25 ug/ml (Perkin-Elmer Life Sciences) in a solution of 10 mM MOPS pH=7.5, 150 mM NaCl, 0.05% Tween-20, 0.02% NaN3, 1% BSA, 0.1% Gelatin for 45 minutes. The plates were washed 4x with 50 &#956;L per well of PBS containing 0.05% Tween-20. Then 50 &#956;L per well of DELFIA Enhancement Solution (Perkin-Elmer Life Sciences) were added to the plate and then read on an EnVision Model 2103 using a 340 nm excitation wavelength and a 665 nm emission wavelength for detection.
11357	1	ENPP1 Activity Assay	Selected compounds of Table 1, Table 2 and other derivatives were prepared and assessed in an ENPP1 activity assay using thymidine monophosphate paranitrophenol (TMP-pNP) as a substrate. Enzyme reactions were prepared with TMP-pNP (2 &#956;M), 5-fold dilutions of ENPP1 inhibitor, and purified recombinant mouse ENPP1 (0.5 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature. Reaction progress was monitored by measuring absorbance at 400 nm of paranitrophenolate produced by the reaction for 20 minutes. Slopes of product formation were extracted, plotted, and fit to obtain IC50 values with Graphpad Prism 7.03. Compounds were also assessed in an ENPP1 enzyme activity assay using 32P cGAMP as a substrate. Radiolabeled 32P cGAMP was synthesized by incubating unlabeled ATP (1 mM) and GTP (1 mM) doped with 32P-ATP with 2 &#956;M purified recombinant porcine cGAS in 20 mM Tris pH 7.5, 2 mM MgCl2, 100 &#956;g/mL herring testes DNA overnight at room temperature, and the remaining nucleotide starting materials were degraded with alkaline phosphatase for 4 h at 37° C. The probe 32P-cGAMP (5 &#956;M) was incubated with purified recombinant mouse ENPP1 (20 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature for 5 hours. To generate enzyme inhibition curves, 5-fold dilutions of ENPP1 inhibitor were included in the reaction.
11358	1	In Vitro Assay Dipeptidyl Peptidase IV. Fibroblast Activation Protein and Prolyl Oligopeptidase	The purpose of this assay is to determine the IC50 of various inhibitors against recombinant human dipeptidyl peptidase IV (DPPIV), fibroblast activation protein (FAP) or prolyl oligopeptidase (PREP). The assays are conducted in the following steps:1 Dissolve the compound in DMSO to a final concentration of 100 mM. From this, prepare a 1 mM stock at pH 7.5 in 50 mM Tris, 140 mM NaCl Buffer (FAP)/pH 7.5 in 25 mM Tris, 250 mM NaCl Buffer/pH 8.0 140 mM NaCl Buffer (PREP).</li><li id="ul0012-0002" num="0365">2. Serial dilute (1:10) the 1 mM compound stocks prepared previously into the appropriate assay buffer (FAP: 50 mM Tris, 140 mM NaCl, pH 7.5/PREP: 25 mM Tris, 0.25 M NaCl, pH 7.5/DPPIV: 25 mM Tris, pH 8.0) to one row of a 96-well plate. 3. Prepare 20× substrate solution (FAP and PREP: 2.5 mM Z-Gly-Pro-AMC (VWR, Cat. No. I-1145.0050BA) in DMSO/DPPIV: 100 mM Gly-Pro-AMC (VWR, Cat. No. 100042-646) in DMSO) by diluting the DMSO stocks into the appropriate assay buffer. 4. Dilute the enzymes into their appropriate assay buffers. The final enzyme concentrations should be 0.1, 1.2, and 0.6 nM for DPPIV, FAP and PREP respectively. Add 180 &#956;L to each well needed in columns 2-10. Column 1 (A,B,C) should be prepared with 200 ul of appropriate assay buffer as control. Column 1 (D,E,F,G,H) should be prepared with 20 ul of appropriate assay buffer and 180 ul enzyme as no inhibitor control. 5. Add 20 &#956;L of the compound of interest from the dilution plate prepared in step 2 to columns 2-10 of the assay plate where appropriate. Each sample should be tested in triplicate. Allow this to incubate for 10 minutes at room temperature, shaking the plate for the first two minutes. 6. Add 10 &#956;L of 20× substrate prepared in step 3 to each well and allow this to incubate for 15 minutes at room temperature, shaking the plate for the first two minutes. 7. Read the fluorescence at &#955;ex: 380, &#955;em: 460.
11359	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and was washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
11360	1	Plasma Kallikrein Activity Assay	The effect of compounds of the invention on human plasma kallikrein activity was determined using the chromogenic substrates (DiaPharma Group, Inc., West Chester, Ohio, USA). In these experiments, 2 nM kallikrein (Enzyme Research Laboratories, South Bend, Ind., USA) was incubated with 80 &#956;M S2302 (H-D-Pro-Phe-Arg-p-nitroaniline) in the absence or presence of increasing concentrations of compounds of the invention in a final volume of 200 &#956;L Tris-HCl buffer (200 mM NaCl; mM CaCl2; 50 mM Tris-HCl, pH 7.8). Alter incubation at 30° C., the activity of kallikrein was measured as a change in absorbance at OD 405 nm using BioTek PowerWave X340 Microplate Reader (Winooski, Vt., USA). Data were analyzed using SigmaPlot software (Systat Software, Inc., San Jose, Calif., USA) (Four Parameter Logistic Curve). Ki values for the inhibitors were determined using the ChengPnisoff equation.
11361	1	Factor D Esterolytic Assay	An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used. For this assay Z-Lys-SBzl, 1.29 mM was used as the substrate for Factor D (104 mM). Hydrolysis of this compound by Factor D liberated a free sulfhydryl group which is then reacted with 5,5&#8242;-dithiobis(2nitrobenzoic acid) producing an intense yellow color. The assays were performed in 96 well microtiter plates and rates of hydrolysis were monitored at 405 nm on a Biotek Synergy H1 plate reader. Hydrolysis rates were reported as change in mOD/mmn. The assay was conducted in 100 mMv HEPES, 500 mMv NaCl, pH 7.5 containing 10% DM50 in a final volume of 50 &#956;L per well. An IC50, a compound concentration which inhibits 50% of the enzymatic activity, was calculated. Compounds in the examples were tested a minimum of three times.
11362	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
11363	1	Biological Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding[glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved[1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition. Standard conditions for this assay combine 300 nM [Glycerol-1,3-3H]-oleoyl glycerol with human MGL from HeLa cells and test compounds for one hour, after which the reaction is filtered through activated carbon and tritium is measured in the flow through. The test compound concentration in screening mode is 10 &#956;M, while the highest compound concentration in IC50 assays is determined empirically.
11364	1	ERK2 Enzymatic Assay	To assess compounds capacity to inhibit ERK2 enzymatic activity, Z&#8242;-Lyte biochemical assay from Life technologies was used according to manufacturer&#39;s instructions. Briefly, black 384-well plates containing 100 nl of 100×compound solution in 100% DMSO, 2.4 &#956;l kinase buffer, 5 &#956;l 2×MAPK1 (ERK2)/Ser/Thr 03 mixture and 2.5 &#956;l 4&#955; ATP solution were used. Plates were shaken for 30 seconds and incubated for 60 minutes at room temperature. Then, 5 &#956;l of a 1:1024 dilution of Development Reagent A was added. Plates were shaken for 30 seconds and incubated for 60 minutes at room temperature. A plate reader was used to read fluorescence. In this assay, ERK2 enzyme was used at a concentration of 0.4 &#956;g/ml (5.74 nM) at ATP Km (100 &#956;M). Kinase buffer consisted of 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. Compounds IC50 were determined with a 3-fold serial dilution (10 point titrations in duplicate).
11365	1	Human LTC4S Enzymatic Assay	LTC4 synthase catalyzes the conversion of Leukotriene A4(LTA4) to Leukotriene C4 (LTC4) in the presence of reduced glutathione (GSH) as a co-substrate. For compound testing, compounds are delivered as 10 mM stock solutions in 90% DMSO in matrix tubes. From this, a 1:3 dilution dose response series is prepared with a starting concentration of 30 &#956;M to 0.1 nM. For the enzymatic assay 97.5 nL of compound/DMSO solution is transferred to each well and 5 &#956;L enzyme solution (assay buffer: 50 mM bis-tris propane pH 7.3, 250 mM NaCl, 10 mM MgCl2, 0.001% MGN3) is added to the wells. The final enzyme concentration in the assay is 0.75 nM. The enzyme compound mixture is incubated at room temperature for 15 minutes prior to the addition of 5 &#956;L substrate solution. As the primary substrate LTA4 is a highly unstable intermediate of the arachidonic acid pathway, LTA4 is substituted for a more stable LTA4 methyl ester form (LTA4-Me) for the purposes of screening. A final substrate concentration of 400 &#956;M GSH and 5 &#956;M LTA4-Me is chosen. The LTA4-Me is obtained commercially in 2% triethylamine/hexane solvent. As this solvent is incompatible with the HTRF assay it has to be exchanged with DMSO according to following procedure: add 50 &#956;L of 100% DMSO to 50 &#956;L LTA4-Me (3 mM) in a 2 mL Eppendorf tube and mix gently by inverting the tube. The triethylamine/hexane is evaporated under a constant argon flux at room temperature. The DMSO-LTA4-Me (3 mM) is aliquoted and stored at &#8722;20° C. for not longer than 4 weeks, as it is not stable in DMSO due to its oxidizing properties. Upon addition of the substrate, the plate is immediately placed on a shaker for 5 min at room temperature. Immediately after the 5 min incubation 5 &#956;L of H2O solution is added to all wells to stop the reaction. The plate contents are mixed before the addition of detection reagents. The conversion from LTA4-Me and GSH to LTC4-Me is quantified using a LTC4-Me standard curve ranging from 1.5 &#956;M to 0.08 nM. For the detection of the product of the enzymatic reaction LTC4-Me, the Cisbio LTC4-HTRF kit is used as the assay is compatible with the detection of LTC4-Me. 5 &#956;L of diluted LTC4-d2 conjugate (according to manufacturer&#39;s protocol) are added to all wells of the assay plate and the contents gently mixed and incubated for 5 minutes at room temperature. Then 5 &#956;L of the diluted LTC4-Eu3+ cryptate (according to manufacturer&#39;s protocol) are added to all wells and the contents of the plate gently mixed and incubated 60 min at room temperature before reading the plate on the Spectramax Paradigm (Molecular Devices) using ratiometric analysis (665/616 nM) and the following setup: number of flashes/well of 30, integration time of 0.3 ms, excitation time of 0.05 ms, positioning delay of 0.03 ms, and a ratio multiplicator of 10000. 
11366	1	Human AXL Kinase Assay	Human Axl (residues H473-A894 with Q764R, 161 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M KKSRGDYMTMQIG (SEQ ID NO. 43), 10 mM magnesium acetate and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11366	2	Human Mer Kinase Assay	Human Mer (residues R557-E882 with H628Q and R794A, 0.7 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 30 mM NaCl, 250 &#956;M GGMEDIYFEFMGGKKK (SEQ ID NO. 44), 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP]. The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11366	3	Human KDR Kinase Assay	Human KDR (residues K790-V1356, 55 nM) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM magnesium acetate, and 10 &#956;M [&#947;-33P-ATP], The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. A reaction aliquot of 10 &#956;L was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Incorporated 33P was measured using the Wallac Microbeta scintillation counter (Perkin Elmer).
11367	1	PARP Assay	PARP assays are conducted using a chemiluminescent PARP assay kit (Trevigen). Briefly, reactions are performed in Histone-coated strip wells, by adding 10 microliters test compound dissolved in 1×PARP Buffer (prepared by mixing 20×PARP buffer diluted with high-purity water) and 15 microliters diluted PARP-HSA enzyme (diluted in 1×PARP buffer, 0.1 unit per well) to 25 microliters PARP cocktail (prepared from 10×PARP cocktail and 10× activated DNA, both 2.5 microliters per well and 20 microliters per well of 1×PARP buffer). The reactions are incubated at ambient temperature for 60 minutes, then the liquid was removed. After washing the wells four times with PBS (200 ul), 50 microliters of STREP-HRP (Horseradish Peroxidase) solution (diluted 500-fold in 1× Strep-Diluent) was added and the reactions were allowed to incubate for 30 minutes at ambient temperature. The liquid was removed and, after washing the wells four times with PBS (200 ul), 50 microliters each of PeroxyGlo A and B (Chemiluminescent Horseradish Peroxidase substrates) are added and the resulting chemiluminescence quantified on the SpectraMax M5 plate reader.
11367	2	CK2 Assay	Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (ADB; 20 mM MOPS, pH 7.2, 25 mM beta-glycerolphosphate, 5 mM EGTA, 1 mM sodium orthovanadate and 1 mM dithiothreitol), 10 microliters of substrate peptide (RRRDDDSDDD (SEQ ID NO:4), dissolved in ADB at a concentration of 1 mM), 10 microliters of recombinant human CK2 (25 ng dissolved in ADB; Upstate). Reactions were initiated by the addition of 10 microliters of ATP Solution (90% 75 mM MgCl2, 75 micromolar ATP dissolved in ADB; 10% [&#947;-33P]ATP (stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer) and maintained for 10 minutes at 30 degrees C. The reactions were quenched with 100 microliters of 0.75% phosphoric acid, then transferred to and filtered through a phosphocellulose filter plate (Millipore). After washing each well 5 times with 0.75% phosphoric acid, the plate was dried under vacuum for 5 min and, following the addition of 15 ul of scintilation fluid to each well, the residual radioactivity was measured using a Wallac luminescence counter.
11367	3	CK2 Assay (15 uM ATP)	Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (ADB; 20 mM MOPS, pH 7.2, 25 mM beta-glycerolphosphate, 5 mM EGTA, 1 mM sodium orthovanadate and 1 mM dithiothreitol), 10 microliters of substrate peptide (RRRDDDSDDD (SEQ ID NO:4), dissolved in ADB at a concentration of 1 mM), 10 microliters of recombinant human CK2 (25 ng dissolved in ADB; Upstate). Reactions were initiated by the addition of 10 microliters of ATP Solution (90% 75 mM MgCl2, 15 micromolar ATP dissolved in ADB; 10% [&#947;-33P]ATP (stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer) and maintained for 10 minutes at 30 degrees C. The reactions were quenched with 100 microliters of 0.75% phosphoric acid, then transferred to and filtered through a phosphocellulose filter plate (Millipore). After washing each well 5 times with 0.75% phosphoric acid, the plate was dried under vacuum for 5 min and, following the addition of 15 ul of scintilation fluid to each well, the residual radioactivity was measured using a Wallac luminescence counter.
11367	4	CK2 Assay (20 uM ATP)	Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (ADB; 20 mM MOPS, pH 7.2, 25 mM beta-glycerolphosphate, 5 mM EGTA, 1 mM sodium orthovanadate and 1 mM dithiothreitol), 10 microliters of substrate peptide (RRRDDDSDDD (SEQ ID NO:4), dissolved in ADB at a concentration of 1 mM), 10 microliters of recombinant human CK2 (25 ng dissolved in ADB; Upstate). Reactions were initiated by the addition of 10 microliters of ATP Solution (90% 75 mM MgCl2, 20 micromolar ATP dissolved in ADB; 10% [&#947;-33P]ATP (stock 1 mCi/100 &#956;l; 3000 Ci/mmol (Perkin Elmer) and maintained for 10 minutes at 30 degrees C. The reactions were quenched with 100 microliters of 0.75% phosphoric acid, then transferred to and filtered through a phosphocellulose filter plate (Millipore). After washing each well 5 times with 0.75% phosphoric acid, the plate was dried under vacuum for 5 min and, following the addition of 15 ul of scintilation fluid to each well, the residual radioactivity was measured using a Wallac luminescence counter.
11368	2	Titre Blue Assay	The cell titre blue viability (Promega, USA) assay provides a homogenous, fluorometric method for estimating the number of viable cells. It uses the dark blue indicator dye resazurin to measure the metabolic capacity of cells which is an indicator of cell viability. Viable cells are able to reduce resazurin into resorufin (pink) which is highly fluorescent. Briefly, U2OS or SK-OV-3 (6×103 cells/mL) were seeded into 384-well plates and were incubated for 24 h. Compounds (at a range of concentrations) were added using the ECHO 550 liquid handler (Labcyte, USA) and then left at 37° C. for 96 h. Titre blue reagent was added to each well and left at 37° C. for 3-4 h. Fluorescence was measured using the Envision machine (Perkin Elmer, UK).In general, activity possessed by compounds of the formula I, may be demonstrated in the Arrayscan and Cellisa assays by an IC50 value of less than 15 &#956;M. Suitably compounds have an IC50 value of less than 10 &#956;M in these assays, more suitably less than 5 &#956;M, even more suitably less than 2 &#956;M and most suitably less than 1 &#956;M. Preferred compounds of the invention have an IC50 value of less than 500 nM in the Arrayscan and Cellulisa assays.
11368	3	Arrayscan Assay	U2OS cells (1500 per well) were plated in 40 &#956;L of DMEM media (containing 10% fetal calf serum and 2 mM Glutamax T-1) in costar 384-well plates and left overnight at 37° C. and 5% CO2 to adhere.Cells were then dosed with compound diluted in DMSO (120 nL added to each well to give 0.0313-30 &#956;M concentrations of compound) and incubated at 37° C. and 5% CO2. After 1 h of treatment with compound, all wells except min wells were dosed with 17-AAG diluted in DMSO (10 nL added to each well to give 250 nM final concentration) and plates were incubated overnight at 37° C. and 5% CO2. The following day the cells were fixed by addition of 20 &#956;L/well of 12% formaldehyde with 1:1700 Hoechst in PBS for 10 min at room temperature. The fixative was decanted and the wells washed once with 50 &#956;L of phosphate buffer saline (PBS). The PBS was subsequently aspirated, and the cells were permeabilized by addition of 20 &#956;L/well of PBS 0.3% Triton X-100 for 20 min at room temperature. The wells were then washed with 80 &#956;L of PBS prior to the addition of 20 &#956;L of combined primary and secondary antibodies diluted in PBS (1:10 000 mouse anti-Hsp72 #SPA-810 purchased from Stressgen and 1:3000 Alexa Fluor 488 goat anti-mouse IgG (H+L) #A-11001 molecular probes), for 2 h at room temperature. The wells were then washed with 50 &#956;L of PBS. Finally, 50 &#956;L of PBS was added to each well, and the plates were sealed ready to analyze. Analysis was carried out using a Cellomics Arrayscan VTI instrument and the Cellomics Arrayscan Compartmental Analysis algorithm to measure cellular levels of HSP72. Results are reported as IC50 values for inhibition of HSP72 levels
11369	1	FLIPR Assay	The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the human CXCR3A (GenBank: AY242128) coupled to a G protein (Galpha(16)). Cells are plated the day prior to bioassay in F12 medium supplemented with 10% FBS and G418 and hygromycin antibiotics to maintain recombinant selection. At the day of bioassay, cells are washed and dye loaded for one hour with Fluo-4-AM (Invitrogen) in Hanks Balanced Salt Solution (Invitrogen), buffered with 20 mM Hepes at pH 7.4 and sodium bicarbonate (0.038%), containing 5 mM probenecid. This buffer, but lacking the dye and containing probenecid at a concentration of 2.5 mM, is also used for washing steps (wash buffer); or lacking both dye and probenecid but supplemented with 0.1% BSA for compound dilution steps (dilution buffer). Cells are washed free of excess dye and 60 microliter of wash buffer is added. Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in dilution buffer to concentrations required for inhibition dose response curves. After a 10 minute incubation period at 37° C., 10 microliters of each compound dilution are transferred from a compound plate to the plate containing the recombinant cells in the FLIPR instrument according to the manufacturer&#39;s instructions. Following basal readings, 10 microliter CXCL10 agonist at a concentration of 20 nM (from Peprotech) is added, again using the FLIPR instrument. Changes in fluorescence are monitored before and after addition of the test compounds. Emission peak values above base level after CXCL10 addition are exported after base line subtraction.The calculated IC50 values may fluctuate depending on the daily assay performance. Fluctuations of this kind are known to those skilled in the art.
11369	2	Receptor Internalization Assay	Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations required for inhibition dose response curves. Diluted compounds are then mixed with an equal volume of CXCL10 (Peprotech) diluted in PBS. Anticoagulated venous human whole blood is added to the mixture, which is then incubated in a CO2 incubator at 37° C. to allow for ligand mediated receptor internalization (final CXCL10 concentration is 9 nM). After 30 min, the blood is mixed with fluorescently labeled CXCR3 and CD4 specific antibodies (Becton Dickinson) and incubated on ice for 10 minutes. Samples are then mixed with BD FACS Lysing Solution (Becton Dickinson) in order to eliminate red blood cells. After washing the cells with PBS containing 0.5% BSA, the samples are then analyzed in a flow cytometer (FACS Canto II, Becton Dickinson). For data analysis using FACSDiva software (Becton Dickinson), the mean fluorescence corresponding to CXCR3 cell surface expression was determined on CD4 positive cells. The program GraphPad Prism or similar software is used to fit the data to a single site dose response curve and to calculate IC50 values.
11370	1	Kinase assay	The kinase assay was performed in V-bottom 384-well plates. The final assay volume was 30 &#956;l prepared from 15 &#956;l additions of enzyme, substrates (fluoresceinated peptide FL-KRREILSRRP[ps]ERYR-NH2 and ATP) and test compounds in assay buffer (100 mM HEPES pH 7.4, 10 mM MgCl2, 25 mM Beta-Glycerolphosphate, 0.015% Brij35 and 0.25 mM DTT). The reaction was incubated at room temperature for 20 hours and terminated by adding 45 &#956;l of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LabChip3000 (Caliper, Hopkinton, Mass.) by electrophoretic separation of the unphosphorylated substrate and phosphorylated product. Inhibition data were calculated by comparison of the no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentration of reagents in the assay were 250 pM GSK3u or GSK30, 20 uM ATP, 1.5 uM FL-KRREILSRRP[ps]ERYR-NH2, and 1.6% DMSO. Dose response curves were generated to determine the concentration required to inhibit 50% of the kinase activity (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations. IC50 values were derived by non-linear regression analysis.
11371	1	In Vitro Assay 1	DHODH enzymatic assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al. 1968). The assay was conducted in buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 2 nM DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 2% DMSO at pH 8.0 at 32 degree celsius. The reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH enzyme was purchased from Novus (cat. no. NBP1-98916). Other chemicals were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a BMG clarion star plate-reading spectrophotometer.
11371	2	In Vitro Assay 2	The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al. 1968). The assay was conducted in aqueous buffer containing 50 mM Tris, 0.1% Triton X-100, 150 mM potassium chloride, 0.4 &#956;g/mL DHODH, 1 mM dihydroorotate, 0.1 mM decylubiquinone, 0.06 mM DCIP, and 0.17% DMSO at pH 8.0 at room temperature. Compounds were added via pin transfer or via D300 digital dispenser, and the reaction was initiated by addition of substrates. Enzyme activity was monitored kinetically by the reduction in DCIP absorbance at 600 nm. Purified recombinant human DHODH (full-length, C-terminal MYC/DDK-tag) enzyme was purchased from Origene (cat. no. TP039034). Other chemicals, including leflunomide and teriflunomide, were purchased from Sigma-Aldrich. Absorbance measurements were obtained using a Molecular Devices Spectramax M5 plate-reading spectrophotometer.
11372	1	Kinase Inhibition Assay	2.5 times of the kinase (VEGFR2 or EGFR or FYN) buffer solution was added to the compound diluted in equal concentration in the 384-well plate and incubated at 22-27° C. for 10 minutes, then 2.5 times of the FAM-labeled peptide substrate and ATP buffer solution were added therein and incubated at 28° C., and then the stop buffer solution was added to stop the reaction. The data was read by Caliper and the following formula was used to calculate the IC50 inhibition: Percent inhibition=(max-conversion)/(max-min)*100. Staurosporine was used as a control. In kinase inhibition assays, some of the compounds of the present invention are effective in inhibiting VEGFR2/FYN/EGFR, so they have the potential for treating or preventing cancer or central nervous system diseases (Table 1).
11373	1	Enzyme-Linked Immunosorbent Assay	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
11374	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
11375	1	DYRK1A Kinase Activity Assay	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.00016 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning). The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission. Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control. After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11375	2	GSK3&#946; Kinase Activity Assay	Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 &#956;M to 0.0003 &#956;M) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, Calif.) into 1536-well black-walled round bottom plates (Corning). The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions.</p><p id="p-1174" num="1177">After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer). The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))].Dose-response curves are generated and inhibitory concentration (IC50) values are calculated using non-linear regression curve fit in the Dotmatics&#39; Studies Software (Bishops Stortford, UK).
11376	1	NEK7 Enzymatic Assay	Casein substrate (from bovine milk, hydrolyzed and partially dephosphorylated mixture of &#945;, &#946; and &#954; caseins, obtained from Sigma Aldrich, catalogue #C4765, diluted in distilled water to a final concentration of 1 mg/mL) and full-length recombinant human NEK7 (expressed by baculovirus in Sf9 insect cells using a N-terminal GST tag, obtained from SignalChem, catalogue #N09-10G, 0.1 &#956;g/L) were mixed in assay buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). Compounds of interest (serial 3-fold dilution in DMSO from 10 &#956;M to 0.5 nM) or vehicle (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition [33P]-ATP (specific activity 10 &#956;Ci/&#956;l) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
11377	1	hERG Channel Inhibition Assay	The hERG channel inhibition assay is a highly sensitive measurement that identifies compounds exhibiting hERG inhibition related to cardiotoxicity in vivo. The hERG K+ channels were cloned in humans and stably expressed in a CHO (Chinese hamster ovary) cell line. CHO hERG cells were used for patch-clamp (voltage-clamp, whole-cell) experiments. Cells were stimulated by a voltage pattern to activate hERG channels and conduct I KhERG currents (rapid delayed outward rectifier potassium current of the hERG channel). After the cells were stabilized for a few minutes, the amplitude and kinetics of I KhERG were recorded at a stimulation frequency of 0.1 Hz (6 bpm). Thereafter, the test compound was added to the preparation at increasing concentrations. For each concentration, an attempt was made to reach a steady-state effect, usually, this was achieved within 3-10 min at which time the next highest concentration was applied. The amplitude and kinetics of I KhERG are recorded in each concentration of the drug which were compared to the control values (taken as 100%).
11378	1	Enzyme Inhibition Assay	Freshly prepared Zn2-NDM-1 (50 nM) or Zn2-VIM-2 were first incubated with various concentrations of Bi(III) compounds for 1 h at 25° C. The assay was performed in a 1 cm quartz cuvette using the kinetic mode of Varian Cary 50 UV-visible spectrophotometer at 25° C. The final assay buffer contains 50 mM HEPES/Na pH 7.0, 100 mM NaCl and 100 &#956;M MER. The decrease in absorbance at 300 nm due to ring-opening of MER was monitored every second for a duration of 10 mins until the reaction was completed. The initial rate were extracted and calculated from each reaction curves.
11379	1	LMPTP Primary Screening Protocol	1. Prepare Reagents as described in section F. Recipe.2. Using LabCyte Echo, transfer 60 nL from 2 mM test compound source plate into assay plate Col. 5-48 (final concentration of test compounds is 20 &#956;M). 60 nL of DMSO should be transferred to col. 1-4 for positive and negative control wells.3. Spin plates at 1000 rpm for 1 minute in centrifuge.4. Using the Beckman Coulter Bioraptr, add 3 &#956;L/well of control buffer to columns 1 and 2.5. Using the Bioraptr, add 3 &#956;L/well of enzyme solution to col. 3-48.6. Using the Bioraptr, add 3 &#956;L/well of substrate solution to col. 1-48.7. Spin plates at 1000 rpm for 1 minute in centrifuge.8. Incubate plates in the dark at room temperature for 50 minutes.9. Read plates on PerkinElmer Viewlux using a FI protocol.
11380	1	Assay of the Citric Acid Cycle Activation	NaCT-CHO and pME-CHO were plated at 20,000 cells/well into white CulturPlate -96 (PerkinElmer) two days before the assay. Prior to assay incubation, the cultured plates were washed twice with washing buffer, 10 mM HEPES-Tris(pH7.4) containing 140 mM choline chloride, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2. The compounds to be tested were dissolved and diluted in DMSO (Wako Pure Chemical industries) to 1,000 times of a final concentration, and further diluted to two times as high as the final concentration in assay buffer, 10 mM HEPES-Tris(pH7.4) containing 140 mM NaCl, 2 mM KCl, 1 mM CaCl2, 1 mM MgCl2. The range of final concentrations was properly determined based on the test compounds activity. Each 25 &#956;L compound solution was added to well and subsequently 25 &#956;L radio-labeled substrate solution containing 0.4 mM (0.4 MBq/mL) [1,5-14C]-citric acid (PerkinElmer) in the assay buffer was added. After 1 hour incubation at 37° C., the reaction mixture was discarded and washed three times with pre-chilled washing buffer and then 0.1 mL MicroScint 20 (PerkinElmer) was added to well. The plate was sealed with TopSeal-A (PerkinElmer) and the radioactivity was measured using a TopCount (PerkinElmer). Non-specific activity (NS cpm) and total radio activity (Total cpm) were determined by counting of pME-CHO plated wells and NaCT-CHO plated wells without compounds, respectively. Diffusion of [14C] CO2 was able to be estimated from residual radioactivity (R cpm) by an equation (Total&#8722;R)/(Total&#8722;NS)×100(%). The difference of Total and R was disappeared in the presence of 0.1 &#956;M antimycin A. EC50 values were calculated by regression analysis using SAS Statistical Analysis System (SAS institute Japan Ltd. Release 9.1).
11382	1	In Vitro Enzyme Inhibition Assay - LSD-1	The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties of compounds to LSD1 were determined in 384-well plate format under the following reaction conditions: 0.1-0.5 nM LSD1, 50 nM H3K4me1-biotin labeled peptide (Anaspec cat #64355), 2 &#956;M FAD in assay buffer of 50 mM HEPES, pH7.3, 10 mM NaCl, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-unmodified histone H3 lysine 4 (H3K4) antibody (PerkinElmer) in the presence of LSD1 inhibitor such as 1.8 mM of Tranylcypromine hydrochloride (2-PCPA) in LANCE detection buffer (PerkinElmer) to final concentration of 12.5 nM and 0.25 nM respectively.The assay reaction was performed according to the following procedure: 2 &#956;L of the mixture of 150 nM H3K4me1-biotin labeled peptide with 2 &#956;L of 11-point serial diluted test compound in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;L of 0.3 nM LSD1 and 6 &#956;M of FAD to initiate the reaction. The reaction mixture was then incubated at room temperature for one hour, and terminated by the addition of 6 &#956;L of 1.8 mM 2-PCPA in LANCE detection buffer containing 25 nM Phycolink Streptavidin-allophycocyanin and 0.5 nM Europium-anti-unmodified H3K4 antibody. Enzymatic reaction is terminated within 15 minutes if 0.5 LSD1 enzyme is used in the plate. Plates were read by EnVision Multilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hour incubation at room temperature. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
11383	1	Enzyme Reaction System of CDK2/Cyclin A	The standard Lance Ultra method was performed by a 10 &#956;L enzyme reaction system containing 0.5 nM CDK2/cyclin A protein, 100 nM ULight-MBP polypeptide, and 25 &#956;M ATP. The dilutions of the compounds were dissolved in an enzyme buffer, respectively. The components of the buffer included 50 mM hydroxyethylpiperazine ethanesulfonic acid solution (pH 7.5), 1 mM ethylenediaminetetraacetic acid, 10 mM magnesium chloride, 0.01% Brij-35, and 2 mM dithiothreitol. After the reaction was started, an OptiPlate 384-well plate was sealed with a top heat-sealing film TopSeal-A and incubated at room temperature for 60 minutes. A stop buffer of the enzyme reaction was prepared, EDTA was dissolved in a 1-fold diluted detection buffer, and the reaction was terminated at room temperature for 5 minutes. 5 &#956;L of the detection mixture (formulated with the europium-labeled anti-myelin basic protein antibody and the europium-labeled rabbit antibody, respectively) was added to the CDK2/cyclin A, CDK4/cyclin D1 and CDK6/cyclin D1 reaction systems, respectively. Incubation was carried out for 60 minutes at room temperature, and the reaction signals were detected using an Envision instrument according to the principle of time-resolved fluorescence resonance energy transfer.
11383	2	Enzyme Reaction System of CDK4/Cyclin D1	The standard Lance Ultra method was performed by a 10 &#956;L enzyme reaction system containing 0.3 nM CDK4/cyclin D1 protein, 50 nM ULight-4E-BP1 polypeptide, and 350 &#956;M ATP. The dilutions of the compounds were dissolved in an enzyme buffer, respectively. The components of the buffer included 50 mM hydroxyethylpiperazine ethanesulfonic acid solution (pH 7.5), 1 mM ethylenediaminetetraacetic acid, 10 mM magnesium chloride, 0.01% Brij-35, and 2 mM dithiothreitol. After the reaction was started, an OptiPlate 384-well plate was sealed with a top heat-sealing film TopSeal-A and incubated at room temperature for 180 minutes. A stop buffer of the enzyme reaction was prepared, EDTA was dissolved in a 1-fold diluted detection buffer, and the reaction was terminated at room temperature for 5 minutes. 5 &#956;L of the detection mixture (formulated with the europium-labeled anti-myelin basic protein antibody and the europium-labeled rabbit antibody, respectively) was added to the CDK2/cyclin A, CDK4/cyclin D1 and CDK6/cyclin D1 reaction systems, respectively. Incubation was carried out for 60 minutes at room temperature, and the reaction signals were detected using an Envision instrument according to the principle of time-resolved fluorescence resonance energy transfer.
11383	3	Enzyme Reaction System of CDK6/Cyclin D1	The standard Lance Ultra method was performed by a 10 &#956;L enzyme reaction system containing 0.8 nM CDK6/cyclin D1 protein, 50 nM ULight-4E-BP1 polypeptide, and 250 M ATP. The dilutions of the compounds were dissolved in an enzyme buffer, respectively. The components of the buffer included 50 mM hydroxyethylpiperazine ethanesulfonic acid solution (pH 7.5), 1 mM ethylenediaminetetraacetic acid, 10 mM magnesium chloride, 0.01% Brij-35, and 2 mM dithiothreitol. After the reaction was started, an OptiPlate 384-well plate was sealed with a top heat-sealing film TopSeal-A and incubated at room temperature for 180 minutes. A stop buffer of the enzyme reaction was prepared, EDTA was dissolved in a 1-fold diluted detection buffer, and the reaction was terminated at room temperature for 5 minutes. 5 &#956;L of the detection mixture (formulated with the europium-labeled anti-myelin basic protein antibody and the europium-labeled rabbit antibody, respectively) was added to the CDK2/cyclin A, CDK4/cyclin D1 and CDK6/cyclin D1 reaction systems, respectively. Incubation was carried out for 60 minutes at room temperature, and the reaction signals were detected using an Envision instrument according to the principle of time-resolved fluorescence resonance energy transfer.
11385	1	Measurement of TRPA1 Antagonist Activity	The test substance was dissolved in dimethyl sulfoxide and serially diluted with an assay buffer containing 0.1% bovine serum albumin (1×HBSS, 20 mM HEPES, pH 7.2) to a 4.8-fold concentration of the evaluation concentration. Allylisothiocyanate, which is a known TRPA1 activator, was dissolved in dimethyl sulfoxide to 100 mM, and further diluted 5-fold (100 &#956;M) of the final concentration, like the test substance.
11386	1	PDE5 Inhibition Assay	Materials and Methods: PDE5 inhibition was assayed at BPS Bioscience (San Diego, Calif.) using BPS PDE assay kits (BPS Catalog number 60300, enzyme lot 090810). Test compounds were supplied as liquid solutions of 10 mM concentration in DMSO. Sildenafil, used as a standard was dissolved in DMSO. Intermediate dilutions were 10% DMSO in PDE assay buffer and tests at ranges from 0.1 to 100 nM. 0.1 ng of enzyme was used per reaction, and the substrate was 100 nM FAM-cGMP.Assay conditions: A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 &#956;l of the dilution was added to a 50 &#956;l reaction so that the final concentration of DMSO is 1% in all of reactions. The enzymatic reactions were conducted at room temperature for 60 minutes in a 50 &#956;l mixture containing PDE assay buffer, 100 nM FAM-cAMP or 100 nM FAM-cGMP, a PDE enzyme, and the test compound. After the enzymatic reaction, 100 &#956;l of a binding solution (1:100 dilution of the binding agent with the binding agent diluent) was added to each reaction and the reaction was performed at room temperature for 60 minutes. Fluorescence intensity was measured at an excitation of 485 nm and an emission of 528 nm using a Tecan Infinite M1000 microplate reader.Data analysis: PDE activity assays were performed in duplicate at each concentration. Fluorescence intensity is converted to fluorescence polarization using the Tecan Magellan6 software. The fluorescence polarization data were analyzed using the computer software, Graphpad Prism. The fluorescence polarization (FPt) in absence of the compound in each data set was defined as 100% activity. In the absence of PDE and the compound, the value of fluorescent polarization (FPb) in each data set was defined as 0% activity. The percent activity in the presence of the compound was calculated according to the following equation: % activity=(FP&#8722;FPb)/(FPt&#8722;FPb)×100%, where FP=the fluorescence polarization in the presence of the compound.
11387	1	Calcium Channels Interaction	Interaction with N-type calcium channels was assessed with radiolabelled a competitive binding assay, applying the procedure described by Wagner et al. (J. Neurosci. 8: 3354-3359). N-type calcium channels were prepared from rat cerebral cortex, and were incubated with [125I]&#969;-conotoxin GVIA (0.001 nM). The investigated molecules were added, and the reactants were incubated over 30 minutes at room temperature. Binding shifts were monitored by scintillation counting.
11388	1	Receptor Affinity Assay	It is well-known that drug compounds that have an affinity for the striatal dopamine D2 may give rise to adverse side effects, such as short-term extrapyramidal disorders and tardive dyskinesia. Such adverse effects e.g., have been observed for metoclopramide (CAS No.: 364-62-5), which reduces its utility in particular for the long-term treatment of chronic diseases. The in vitro affinity for the dopamine D2 receptor of Cpd A, and of two prior art compounds metoclopramide and declopramide (CAS No.: 891-60-1) was investigated using an in vitro radioligand binding technique with 125I-spiperone as the radioactive ligand.
11389	1	In Vitro Assay	This Example provides data on two groups (Table 1 and Table 2) of structural analogues of identified 15-PGDH inhibitors. Data provided is the IC50 of each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay. Recombinant 15-PGDH is human unless otherwise specified. 15-PGDH inhibitors described herein can provide a pharmacologic method for elevating prostaglandin levels in tissue. Known activities of prostaglandins include promoting hair growth, promoting skin pigmentation, and promoting skin darkening or the appearance of skin tanning. Known activities of prostaglandins also include ameliorating pulmonary artery hypertension. 15-PGDH inhibitors described herein may also be utilized to increase tissue stem cell numbers for purposes that would include increasing resistance to tissue damage by radiation, increasing resistance to environmental exposures to radiation, increasing stem cell numbers to increase fitness of bone marrow or other types of transplantation (through either in vivo exposure to 15-PGDH inhibitors described herein to increase stem cell numbers prior to harvest of a transplanted tissue, or through ex vivo exposure of a harvested tissue prior to transplant into a recipient host, or through treatment of the graft recipient).
11390	1	CDK2/Cyclin E1 Full Length Mobility Shift Assay	The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1full length catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-18 (5-FAM-QSPKKG-CONH2, CPC Scientific, Sunnyvale, Calif.) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Mat1 enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 150 &#956;M ATP (ATP Km=67.4 &#956;M), 0.005% Tween-20, 3 &#956;M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable.
11390	2	GSK3beta Mobility Shift Assay	The purpose of GSK3&#946; assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. GSK3&#946; catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-15 (5-FAM-KRREILSRRPpSYR-COOH, CPC Scientific, Sunnyvale, Calif.) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Active GSK3&#946; (H350L) was purchased from Upstate/Millipore. Typical reaction solutions (50 &#956;L final reaction volume) contained 2% DMSO (±inhibitor), 4 mM MgCl2, 1 mM DTT, 40 &#956;M ATP (ATP Km=9.43 &#956;M), 0.005% Tween-20, 2 &#956;M FL-Peptide-15, and 0.6 nM GSK3&#946; in 25 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP, following 15 minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 30 minutes at room temperature by the addition of 50 &#956;L of 80 mM EDTA. The Ki value was determined from the fit of the data to the Morrison tight-binding competitive inhibition equation with the enzyme concentration as a variable. See Morrison, J. F. (1969) Kinetics of the reversible inhibition of enzyme-catalysed reactions by tight-binding inhibitors, Biochimica et biophysica acta 185, 269-286; Murphy, D. J. (2004) Determination of accurate KI values for tight-binding enzyme inhibitors: an in silico study of experimental error and assay design, Analytical biochemistry 327, 61-67.
11390	4	CDK4/Cyclin D1 Mobility Shift Assay	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:3). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% TW-20, 3 &#956;M 5-FAM-Dyrktide, 3 nM (active sites) activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for activated CDK4/Cyclin D1 (2007 E1/2008 +PO4) were initiated with the addition of ATP (50 &#956;L final reaction volume), following an eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 195 minutes by the addition of 50 &#956;L of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
11390	5	CDK6/Cyclin D3 Mobility Shift Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:3). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (±inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 &#956;M 5-FAM-Dyrktide, 4 nM (active sites) activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5.Inhibitor Ki determinations for activated CDK6/Cyclin D3 (LJIC-2009G1/2010 +PO4) were initiated with the addition of ATP (50 &#956;L final reaction volume), following an eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 95 minutes by the addition of 50 &#956;L of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
11391	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 &#956;L. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. The assays were carried out at 25° C. in the PBS buffer (pH 7.4) with 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tag at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). PD-L1 and PD-1 proteins were diluted in the assay buffer and 10 &#956;L was added to the plate well. Plates were centrifuged and proteins were preincubated with inhibitors for 40 minutes. The incubation was followed by the addition of 10 &#956;L of HTRF detection buffer supplemented with Europium cryptate-labeled anti-human IgG (PerkinElmer-AD0212) specific for Fc and anti-His antibody conjugated to SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H). After centrifugation, the plate was incubated at 25° C. for 60 min. before reading on a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM PD1, 10 nM PD-L1, 1 nM europium anti-human IgG and 20 nM anti-His-Allophycocyanin. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
11392	1	Heparanase Inhibition Assay	Recombinant human active heparanase derived from Chinese hamster ovary cells was from R&D Systems. Bovine serum albumin-coated 96 well microplates (96F Maxisorp NNC #456537, Thermo Scientific) were used for the assays and were prepared by incubation of the plates with 1% (w/v) BSA dissolved in phosphate-buffered saline containing 0.05% (v/v) Tween-20 (PBST) at 37° C. for 1 h. The plates were washed three times with PBST, shaken dry, and stored for up to two weeks at 4° C. before use. Assay mixtures typically contained 42.5 mM sodium acetate buffer (pH 5.0), 0.8 nM heparanase, 100 &#956;M fondaparinux (Arixtra , Aspen Pharmacare), 5% (v/v) DMSO, and varying concentrations of inhibitor in a total volume of 100 &#956;L. Following initiation of the reaction by addition of fondaparinux, the plate was sealed with adhesive film and incubated at 37° C. for 20-24 h. 100 &#956;L of 1.69 mM WST-1 (Dojindo) solution in 0.1 M NaOH was added to the assay mixture. The plate was resealed and developed by incubation at 60° C. for 1 h, and the absorbance was measured at 584 nm. For the enzymatic assays, test compounds were dissolved and added to the assay at varying concentrations to calculate the level of inhibition.
11393	1	Biological Activity Assay	Proteins: Bcl-2 (Cisbio 63ADK000CB01PEG); Bcl-xL (Cisbio 63ADK000CB04PEG);Experimental procedures: a) Dilution of the compounds in DMSO: the compounds to be tested (10 mM stock solutions) were diluted 500 times with DMSO as the first concentration, and the resulting solutions were diluted using a 3-fold serial dilution, resulting in a total of 10 concentration gradients, and the 11th concentration was DMSO control. b) 100 nL/well of the compounds (which were prepared in the step a) was added to a 384-reaction plate (6008280, PerkinElmer) using ECHO, and the plate was centrifugated at 1000 rpm for 1 minute for future use. c) 5 &#956;L/well of BCL-2 solution (2 nM) and BCL-X1 (5 nM), respectively, was added to the 384-reaction plate added with compounds as described above, and the plate was centrifugated at 1000 rpm for 1 minute; to which 5 &#956;L/well of BAK (80 nM) was added, and the plate was centrifugated at 1000 rpm for 1 minute and incubated at 25° C. for 15 minutes. The concentrations of the compounds were started from 100 nM as the initial concentration and diluted with a 3-fold serial dilution to obtain 10 plus 0 points in total. The final concentration of DMSO was 0.5%. d) 10 &#956;L/well of Anti-Tag1-Eu3+& Anti-Tag2-XL665 solution (cisbio) was added to the 384-reaction plate described above, and the plate was centrifugated at 1000 rpm for 1 minute and incubated at 25° C. for 180 minutes. e) The ratio of 665/615 nm was read with a Envision Multi-Function Reader. The inhibition constant (Ki) of the compounds of the present disclosure is determined in this manner, wherein the Ki of the compounds is expressed as < (less than) a specific value, meaning that the binding affinity value is lower than the detection limit of the test used. Wang&#39;s Competitive Binding of Two Different Ligands to a Protein Molecule.
11394	1	ADP-Glo Kinase Assay	In order to measure RIPK1 activity the ADP-Glo kinase assay (Promega, Catalog #V7002) was used to measure the conversion of ATP to ADP. This enzymatic assay was performed in a 384-well white, Optiplate (Perkin Elmer, Catalog #6007299) with assay buffer consisting of 50 mM HEPES pH 7.5 (Gibco, Catalog #15630-080), 50 mM NaCl (Teknova, Catalog #S0252), 30 mM MgCl2 (Ambion, Catalog #AM9530G), 1 mM DTT (Santa Cruz Biotechnology, Catalog #sc-29089), 0.05% BSA (Sigma, Catalog #A3059-50G) and 0.02% CHAPS (Sigma, Catalog #C5070-5G). Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog #D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:40 in assay buffer, and 2 &#956;L/well were transferred to the assay plate. 4 &#956;L/well (final concentration of 5 nM) of RIPK1 protein (SignalChem, Catalog #R07-11G-05) diluted in assay buffer and added to the assay plate followed by a 10-minute preincubation at room temperature. 4 &#956;L/well of ATP (Promega, Catalog #V7002) (final concentration of 50 &#956;M) diluted in assay buffer were then added to the assay plate followed by a 6 hr reaction time. Final concentrations of RIPK1 and ATP refer to a 10 &#956;L volume. Luminescence was measured using a BioTek Synergy NEO plate reader. IC50values were calculated using a four-parameter logistic curve fit using GeneData Screener software.
11395	1	Bcl-2 and Bcl-xL Inhibition Assay	Fluorescein labeled BIM (81-106), BAK (72-87), and BID (79-99) peptides, named as Flu-BIM, Flu-BAK, and Flu-BID, respectively, were used as the fluorescent probes in FP assays for Bcl-2, Bcl-xL, and Mcl-1, respectively. By monitoring the total fluorescence polarization values of mixtures composed of fluorescent probes at fixed concentrations and proteins with increasing concentrations up to the full saturation, the Kd values of Flu-BIM to Bcl-2, Flu-BAK to Bcl-xL and Flu-BID to Mcl-1 were determined to be 0.55±0.15, 4.4±0.8 and 6.9±0.9 nM, respectively. Fluorescence polarization values were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, N.C.) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific). To each well, 1 nM of Flu-BIM, or 2 nM of Flu-BAK or 2 nM of Flu-BID and increasing concentrations of Bcl-2, or Bcl-xL, or Mcl-1 were added to a final volume of 125 &#956;l in the assay buffer (100 mM potassium phosphate, pH 7.5, 100 &#956;g/ml bovine &#947;-globulin, 0.02% sodium azide, Invitrogen, with 0.01% Triton X-100 and 4% DMSO). Plates were mixed and incubated at room temperature for 1 hour with gentle shaking to assure equilibrium. The polarization values in millipolarization units (mP) were measured at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Equilibrium dissociation constants (Kd) were then calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 5.0 software (Graphpad Software, San Diego, Calif.).
11396	1	Biochemical Assay	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
11397	1	Methods for Determining VMAT2 Inhibitory Activity of a Compound	The human VMAT2 Ki values for the compounds listed in Table 15A and Table 15B were determined using the following procedures. Compound dilution series in DMSO were generated from either powder stocks by hand, or from DMSO stocks using serial dilution on a Vantage (Hamilton), or direct dilution using an Echo 655 (Beckman). In a total volume of 0.145 to 0.150 mL in low-binding 96-well plates (Corning #3605), twelve concentrations of test compound were competed against 10 nM 3H-dihydrotetrabenezine (American Radiolabeled Chemicals) on human platelet homogenate (30 &#956;g membrane protein per well) in VMAT2 binding buffer (Dulbecco&#39;s phosphate buffered saline, 1 mM EDTA, pH 7.4). Following incubation at 25° C. for 90 minutes, bound radioligand was collected by rapid filtration onto either GF/B or GF/C glass fiber filters, pretreated with 0.100 polyethylenimine, using either a Unifilter-96 Harvester (PerkinElmer) or Microlab Star (Hamilton). Following harvesting the filter plates were washed with 0.8 mL VMAT2 binding buffer, and bound radioligand was quantified by scintillation counting using a Topcount NXT or Microplate Counter Microbeta (PerkinElmer).
11398	1	FXR Ligand Binding Assay	The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (LanthaScreen, Thermofisher Cat #PV4833). The purified ligand binding domain of human FXR tagged with GST (glutathiones-S-transferase) is incubated with a terbium labelled anti-GLT antibody and a fluorescein-labelled SRC2-2 peptide (LKEKHKILHRLLQDSSSPV (SEQ ID No.: 1)). Binding of FXR ligands to the FXR ligand binding domain promotes binding of the fluorescein-labelled SRC2-2 peptide. This causes a FRET signal between the terbium-labelled anti-GST antibody and the fluorescein-labelled SRC peptide which are both bound to the FXR ligand binding domain. Test compounds are dissolved in DMSO and a 3-fold serial dilution series is generated, then further diluted into assay buffer. The compounds are mixed with 5 nM GST-tagged FXR ligand binding domain, 5 nM Tb-labelled anti-GST antibody and 500 nM fluorescein-labelled SRC2-2 peptide in a pH 7.4 buffer. The reaction is incubated at room temperature for 1 hour, then the FRET signal is measured as the ratio of the 520 nm/495 nm emission following excitation at 340 nm. The change in FRET signal is plotted against the test article concentration and fit to a 3-parameter logistical equation. The concentration required to produce 50% activation is expressed as pEC50 (&#8722;log EC50), and the extent of activation is expressed relative to GW4064 as % activation.
11399	1	ADORA1A Receptor Binding Assay	2 L of each compound (test compounds, high control compound, low control compound) was transferred into individual wells of an assay plate. Also, to each individual well, 98 L of Adenosine A1a membrane stock (for ADORA1A Receptor Binding Assay) or Adenosine A2a membrane stock (for ADORA2A Receptor Binding Assay) was dispensed, followed by 100 L of radio-labeled ligand. Plates were then sealed and incubated at room temperature for 1 hour (for ADORA1A Receptor Binding Assay) or 2 hours (for ADORA2A Receptor Binding Assay). Unifilter-96 GF/C filter plates were pre-soaked with 50 L of 0.3% PEI per well for at least 30 min at room temperature. When binding assays were completed, reaction mixtures were filtered through GF/C plates using a Perkin Elmer Filtermate Harvester, and then each plate was washed 4 with cold wash buffer. Filter plates were then dried for 1 hour at 50 ° C. After drying, the bottom of the filter plate wells was sealed using Perkin Elmer Unifilter-96 backing seal tape. 50 L of Perkin Elmer Microscint 20 cocktail was then added, and the top of the filter plate was then sealed using Perkin Elmer TopSeal-A sealing film. 3H trapped on the filter was counted using a Perkin Elmer MicroBeta2 Reader. Data analysis was performed using GraphPad Prism 5 software, and the Inhibition [% Control] was calculated using the following equation: % Inh=(1 Background subtracted Assay value/Background subtracted HC value) *100.
11399	2	ADORA2B Receptor Binding Assay	100 &#956;L of Adenosine A2B membrane stock was dispensed into individual wells of an assay plate. 1 &#956;L of each compound (test compounds, high control compound, low control compound) was then transferred into individual wells, followed by 100 &#956;L of radio-labeled ligand. Plates were then sealed, and incubated at room temperature for 1 hour. Unifilter-96 GF/C filter plates were pre-soaked with 50 &#956;L of 0.5% BSA per well for at least 30 min at room temperature. When binding assays were completed, reaction mixtures were filtered through GF/C plates using a Perkin Elmer Filtermate Harvester, and then each plate was washed 4× with cold wash buffer. Filter plates were then dried for 1 hour at 50° C. After drying, the bottom of the filter plate wells was sealed using Perkin Elmer Unifilter-96 backing seal tape. 50 &#956;L of Perkin Elmer Microscint 20 cocktail was then added, and the top of the filter plate was then sealed using Perkin Elmer TopSeal-A sealing film. 3H trapped on the filter was counted using a Perkin Elmer MicroBeta2 Reader. Data analysis was performed using GraphPad Prism 5 software, and the Inhibition [% Control] was calculated using the following equation: % Inh=(1&#8722;Background subtracted Assay value/Background subtracted HC value) *100.
13309	2	hNaV1.5 assay	Nav1.5 was activated by a voltage step protocol on a Nanion Pathchliner. A cesium fluoride internal solution was used. Normal ringer solution served as the external solution. Data were analyzed by computing the degree of current block after compound addition compared with the unblocked current amplitude. The unblocked current was predicted from the interpolation between the current amplitude prior to compound addition and after compound washout. The resulting percent block at each concentration was used to make a concentration-response plot and fitted to the Hill equation: percent block=minimum block+(maximum block-minimum block)/(1+10{circumflex over ( )}(Hill slope*(log IC50−concentration))). The minimum block was 0% and maximum block was 100% (determined by unblocked and positive control block conditions, respectively) while the Hill slope and the IC50 are determined by the curve fitting routine.
11401	1	BT474 Cellular Assay (HER2 Inhibition)	Inhibition of phosphor HER2 was determined by enzyme-linked immunosorbent assay (ELISA) in BT474 cells. BT474 cell line was purchased from ATCC (catalog number HTB-20). Human Phospho-ErbB2 ELISA kit was purchased from R&D systems (catalog number DYC1768).
11401	2	NCI H838 Cellular Assay (Wt-EGFR Inhibition)	Inhibition of phosphor wt-EGFR was determined by enzyme-linked immunosorbent assay (ELISA) in NCI H838 cells (ATCC, catalog number CRL-5844). Human Phospho-EGFR DuoSet IC ELISA kit was purchased from R&D systems (catalog number DYC1095).
11402	1	 Inhibitors of Soluble Epoxide Hydrolase (sEH)	Scores of sEH inhibitors are known, of a variety of chemical structures. Derivatives in which the urea, carbamate or amide pharmacophore are particularly useful as sEH inhibitors. As used herein, pharmacophore refers to the section of the structure of a ligand that binds to the sEH. Derivatives that are metabolically stable are of use, as they are expected to have greater activity in vivo. Selective and competitive inhibition of sEH in vitro by a variety of urea, carbamate, and amide derivatives is taught, for example, by Morisseau et al., Proc. Natl. Acad. Sci. U.S.A, 96:8849-8854 (1999).Derivatives of urea are transition state mimetics that form a group of sEH inhibitors. Within this group, N, N&#8242;-dodecyl-cyclohexyl urea (DCU), is an inhibitor, while N-cyclohexyl-N&#8242;-dodecylurea (CDU) is a particular embodiment. Some compounds, such as dicyclohexylcarbodiimide (a lipophilic diimide), can decompose to an active urea inhibitor such as DCU. Any particular urea derivative or other compound can be easily tested for its ability to inhibit sEH by standard assays, such as those discussed herein. The production and testing of urea and carbamate derivatives as sEH inhibitors is set forth in detail in, for example, Morisseau et al., Proc Natl Acad Sci (USA) 96:8849-8854 (1999).N-Adamantyl-N&#8242;-dodecyl urea ( ADU ) is both metabolically stable and has particularly high activity on sEH. Both the 1- and the 2-adamantyl ureas have been tested and have about the same high activity as an inhibitor of sEH. Adamantyl ureas of use include, e.g., 12-(3-Adamantan-1-yl-ureido)dodecanoic acid (AUDA), 12-(3-Adamantan-1-yl-ureido)dodecanoic acid butyl ester (AUDA-BE), and Adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pentyl}urea (AEPU).
11403	1	Lactate Transport in MCT4-Expressing MDA-MB-453 Breast Cancer Cells (Assay 1)	MCT4 may be stably expressed in MDA-MB-453 breast cancer cells that do not express native MCT1 or MCT4. MCT4 activity may be assessed by monitoring the intracellular pH change that accompanies lactate/proton symport, using the pH-sensitive fluorescent dye 2&#8242;,7&#8242;-bis-(carboxyethyl)-5(6)-carboxyfluorescein (BCECF), in a manner similar to that previously reported for MCT1 and MCT4. The following is an exemplary procedure for assaying MCT4 activity of the compounds of Formula (I).Preparing BCECF-Loaded Cells:Cells (&#152;7×106) are trypsinized (0.05% Trypsin-EDTA), pelleted (300 g, 5 min), and resuspended in 1 mL Tyrode&#39;s Solution, pH 7.4 (119 mM NaCl, 5 mM KCl, 25 mM HEPES, pH 7.4, 2 mM CaCl2), 2 mM MgCl2, 6 g/L glucose). 10 &#956;L of a 30 mM DMSO stock of BCECF-AM ester (Life Technologies) is added and the cells are incubated at 37° C. for 5 min. The cells are pelleted (300 g, 5 min), washed once with 1 mL Tyrode&#39;s Solution, pH 7.4, re-pelleted (300 g, 5 min), and resuspended in 1 mL Tyrode&#39;s Solution, pH 7.4.Lactate Transport Assay:2.5 &#956;L BCECF-loaded cells, along with either 10 &#956;L DMSO or 100×compound in DMSO, are added to 937.5 &#956;L of Tyrode&#39;s Solution in a quartz 1.0 mL cuvette (PerkinElmer, B0631116). Fluorescence measurements are performed on a PerkinElmer LS55 fluorescence spectrometer with dual excitation wavelengths achieved using a filter wheel (FL Winlab program: Fast Filter; Excitation 490/440; Emission 535). After establishing baseline BCECF fluorescence (around 10-20 s), 50 &#956;L of 1 M sodium L-lactate (Sigma-Aldrich) is added to the cuvette (final concentration: 50 mM) and rapidly mixed. The time-dependent decrease in BCECF fluorescence (490/440 ratio) may be fit to an exponential decay curve (Prism GraphPad) to determine the rate of lactate transport.
11403	2	MCT4-Mediated Lactate Transport in NCI-H358 Lung Adenocarcinoma Cells (Assay 2)	NCI-H358 lung adenocarcinoma cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
11403	3	MCT1-Mediated Lactate Transport in BT20 Breast Cancer Cells (Assay 4)	MCT1 activity may be measured using BT-20 breast cancer cells that express high native levels of MCT1, but do not express MCT4 and are known to those with skill in the art. Preparation of BCECF loaded cells are as described for Assay 1. Lactate transport assay is as described for Assay 1, except 10 mM L-lactate (rather than 50 mM) is added.
11403	4	MCT4-Mediated Lactate Transport in MDA-MB-231 Breast Cancer Cells (Assay 3)	MDA-MB-231 breast cancer cells may be used to measure MCT4 activity in cells with high native levels of MCT4 and low levels of MCT1 and are known to those with skill in the art. Preparation of BCECF-loaded cells and lactate transport activity may be determined as described for Assay 1.
11404	1	hTHP-1 assay	THP-1 cells were purchased from the American Type Culture Collection and sub-cultured according to instructions from the supplier. Prior to experiments, cells were cultured in complete RPMI 1640 (containing 10% heat inactivated FBS, penicillin (100 units/ml) and streptomycin (100 &#956;g/ml)), and maintained in log phase prior to experimental setup. Prior to the experiment THP-1 were treated with PMA (Phorbol 12-myristate 13-acetate) (20 ng/ml) for 16-18 hours. Compounds were dissolved in dimethyl sulfoxide (DMSO) to generate a 30 mM stock. On the day of the experiment the media was removed and adherent cells were detached with trypsin for 5 minutes. Cells were then harvested, washed with complete RPMI 1640, spun down, resuspended in RPMI 1640 (containing 2% heat inactivated FBS, penicillin (100 units/ml) and streptomycin (100 &#956;g/ml). The cells were plated in a 384-well plate at a density of 50,000 cells/well (final assay volume 50 &#956;l). Compounds were first dissolved in assay medium to obtain a 5× top concentration of 500 &#956;M. 10 step dilutions (1:3) were then undertaken in assay medium containing 1.67% DMSO. 5× compound solutions were added to the culture medium to achieve desired final concentration (e.g. 100, 33, 11, 3.7, 1.2, 0.41, 0.14, 0.046, 0.015, 0.0051, 0.0017 M). Final DMSO concentration was at 0.37%. Cells were incubated with compounds for 1 hour and then stimulated with gramicidin (5 &#956;M) (Enzo) for 2 hours. Plates were then centrifuged at 340 g for 5 min. Cell free supernatant (40 &#956;L) was collected using a 96-channel PlateMaster (Gilson) and the production of IL-1&#946; was evaluated by HTRF (cisbio). A vehicle only control and a dose titration of CRID3 (100-0.0017 &#956;M) were run concurrently with each experiment. Data was normalized to vehicle-treated samples (equivalent to 0% inhibition) and CRID3 at 100 &#956;M (equivalent to 100% inhibition). Compounds exhibited a concentration-dependent inhibition of IL-1&#946; production in PMA-differentiated THP-1 cells.
11405	1	Apoptosis Inhibition Assay	In order to identify the target protein of tTC09 apoptosis inhibitors, we synthesized two sets of probes for target identification based on the SAR study. The first set of probes was designed for direct activity based protein profiling (ABPP) with biotin tag linked at different site. The addition of these biotin tags resulted in varying degrees of activity loss, possibly owing to steric hindrance of the bulky fragment or a change of cellular permeability (Table 2). Compounds 30 and 31 were selected as positive and negative probes for pulldown assays and identified succinate dehydrogenase subunit B (SDHB), a component of the respiratory complex II located on the mitochondrial inner membrane, as the covalent binding target. TC09 apoptosis inhibitors could stabilize the mitochondrial respiratory chain after Bim/tBid overexpression and help maintain the normal function of mitochondria. A second set of probes with a terminal alkyne group designed for click-reaction-assisted ABPP were also prepared. Most of these compounds (28, 29, 32-34) retained relatively potent activity, with EC50 values below 1 &#956;M. Click-reaction-assisted ABPP was performed using compound 29 as a positive probe and compound 27 as a competitor; these probes also identified SDHB as the cellular target. To further verify that SDHB was indeed the molecular target, we also synthesized a derivative of compound 29 with an FITC tag for fluorescence imaging (compound 35, EC50=995 nM). The green fluorescence of compound 35 merged well with the specific red fluorescent staining of mitochondria, indicating that most of compound 35 was localized in mitochondria.
11406	1	PRMT5-MEP50 Enzyme Activity	The histone H4 peptide was diluted with carbonate-bicarbonate buffer and prepared to 100 &#956;g/mL, and then dispensed onto the plate per 100 &#956;L and reacted at 37° C. for 1 hour. PRMT5-MEP50 enzyme complex and S-adenosylmethionine were diluted with histone methyltransferase reaction buffer to prepare 5 &#956;g/mL and 2 &#956;M, respectively, and then 20 &#956;L of PRMT5-MEP50 enzyme complex and 25 &#956;L of S-adenosylmethionine were dispensed onto the plate prepared above. 5 &#956;L of the compound diluted with 10% dimethyl sulfoxide solution was added thereto and reacted at room temperature for 2 hours (final volume=50 &#956;L). The concentration of the compound was diluted 1:5 from 10 &#956;M until the lowest concentration of 0.128 nM, and 8 points were used for the test. After preparing the primary antibody by diluting 1:2000 with blocking buffer, 100 &#956;L was added to the plate and reacted at room temperature for 1 hour. After preparing horseradish peroxidase-conjugated antibody by diluting 1:10,000 with blocking buffer, 100 &#956;L was added to the plate and reacted at room temperature for 1 hour. 100 &#956;L of TMB substrate was added and reacted for 3 minutes at room temperature, and 100 &#956;L of 1 N sulfuric acid was then added to terminate the reaction. Then, the absorbance at 450 nm was measured to calculate the IC50 value of the compound.
11407	1	In Vitro Testing of CB2 Potency: CB2 cAMP (Assay 1)	CHO cells expressing human CB2R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
11407	2	In Vitro Testing of CB1 Potency: CB1 cAMP (Assay 2)	CHO cells expressing human CB1R (Euroscreen) were plated at a density of 10,000 cells per well in 384 well plates and incubated overnight at 37° C. After removing the media, the cells were treated with test compounds diluted in stimulation buffer containing 1 mM IBMX, 0.25% BSA and 10 uM Forskolin. The assay was incubated for 30 minutes at 37° C. Cells were lysed and the cAMP concentration was measured using DiscoverX-XS cAMP kit, following the manufacturer&#39;s protocol. In this setting, agonists will decrease forskolin induced production of cAMP while inverse agonists will further increase forskolin induced production of cAMP. EC50 of agonists were calculated as follows. The maximal amount of cAMP produced by forskolin compared to the level of cAMP inhibited by 1 uM CP55940 is defined as 100%. The EC50 value of each test compound was determined as the concentration at which 50% of the forskolin-stimulated cAMP synthesis was inhibited. Data was analyzed using a four-parameter logistic model. (Model 205 of XLfit 4.0).
11408	1	Measurement of c-Abl1, c-Abl2 and c-Kit IC50 Values	Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl22 mM DTT) and Stop buffer (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Reagent (50 mM EDTA) are prepared. Test compound is diluted in 100% DMSO to 50-times the desired final inhibitor concentration (the Stock Solution) and serially diluted in half-log increments resulting in final concentrations 250 &#956;M to 75 &#956;M, 25 &#956;M, 7.5 &#956;M, 2.5 &#956;M, 0.75 &#956;M, 0.25 &#956;M, 75 nM, 25 nM, 7.5 nM in DMSO. 10 &#956;l of each compound is placed in a 96-well plate as the intermediate plate. 90 &#956;l of Kinase Buffer is added to to each well to prepare the intermediate plate. Mix the compounds in intermediate plate for 10 min on shaker. For the assay of enzyme inhibitions, 5 &#956;l of each well from the intermediate plate is transferred to a 384-well plate in duplicates, 10. Then 10 &#956;l of 2.5× enzyme solution is added to each well of the 384-well assay plate and incubated for 10 min. Then enzyme substrate is added as 10 &#956;l of 2.5× FAM-labeled peptide+ATP solution to each well of the 384-well assay plate The reaction is allowed to proceed at 28° C. and quenched with the addition of 25 &#956;l of stop buffer. The release of fluorescent FAM is quantitated as Percent inhibition=(max-conversion)/(max-min)*100. max stands for DMSO control; min stands for low control. Data are fit in XLFit excel add-in version 4.3.1 to obtain IC50 values. Equation used is: Y=Bottom+(Top&#8722;Bottom)/(1+(IC50/X){circumflex over (&#8195;)}HillSlope)
11409	1	METTL3/14 Methyltransferase Assay	The enzymatic assay was established to determine IC50 values for inhibition of RNA methyltransferase activity. The enzyme used was full-length his-tagged METTL3 co-expressed with full length FLAG-tagged METTL14 in a baculovirus expression system. Enzymatic reactions were performed at room temperature in 384-well plates using a final reaction volume of 20 &#956;L containing 20 mM TrisCl pH 7.6, 1 mM DTT, 0.01% Tween-20. 5 nM final concentration of METTL3/14 was pre-incubated with various compound concentrations for 10 minutes, followed by addition of 0.2 &#956;M final concentration synthetic RNA substrate (5&#8242;P-uacacucgaucuggacuaaagcugcuc-3&#8242;) and 0.5 &#956;M final concentration S-adenosyl-methionine (SAM). The reaction was incubated for further 60 minutes at room temperature, and then quenched by the addition of 40 &#956;L 7.5% TCA with two internal product standards (D4-SAH and 13C10-SAH). After termination, plates were sealed, centrifuged and stored at 4° C. until analysis.
11410	1	SIK2 Kinase Activity Assay	IC50&#39;s for selected compounds in Table 5 below were measured by Caliper-based mobility shift assay (PerkinElmer). For these experiments, full length His6-MBP-tagged hSIK2 (4 nM) was incubated with HG-9-91-01 derivatives in buffer 5 containing 100 mM HEPES 7.5, 10 mM MgC2, 2.5 mM DTT, 0.004% Tween20, 0.003% Brij-35, 30 &#956;M ATP and 1.5 &#956;M ProfilerPro FL-Peptide 10 (5-FAMKKKVSRSGLYRSPSMPENLNRPR-COOH, PerkinElmer, Catalog No. 760354) at rt. Reactions were quenched by adding 20 mM EDTA (pH 8) after 1 hr, and percentage of substrate conversion was measured by LabChip EZ Reader II (PerkinElmer). IC50&#39;s for SIK2 inhibition were calculated using SmartFit nonlinear regression in Genedata Screener software suite (Genedata).
11411	1	HDAC Inhibition Assay	These SAR data indicate that a tripartite structure of this scaffold with a central C(O) NH NH unit flanked by a phenyl group and a short aliphatic chain increases HDAC inhibition. As for the phenyl group, the presence of a relatively bulky substituent at the para position relative to the carbonyl group also affords potent HDAC inhibitors (Table 2).
11412	1	JAK Enzyme Assay	The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr, fluorescently labeled on the N-terminus with 5-carboxyfluorescein) using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine inhibition constants (Ki) compounds were diluted serially in DMSO and added to 50 &#956;L kinase reactions containing purified enzyme (1.5 nM JAK1, or 0.2 nM JAK2), 100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 1.5 &#956;M peptide substrate, ATP (25 &#956;M), 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 &#956;L of an EDTA containing solution (100 mM HEPES buffer (pH 7.2), 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. After termination of the kinase reaction, the proportion of phosphorylated product was determined as a fraction of total peptide substrate using the Caliper LabChip 3000 according to the manufacturer&#39;s specifications. Ki values were then determined using the Morrison tight binding model (Morrison, J. F., Biochim. Biophys. Acta. 185:269-296 (1969); William, J. W. and Morrison, J. F., Meth. Enzymol., 63:437-467 (1979)) modified for ATP-competitive inhibition [Ki=Ki,app/(1+[ATP]/Km,app)].
11413	1	 In Vitro Assay (SARS-CoV-2 Mpro) Enzymatic Assay	The C-His6-tagged SARS-CoV-2 MPRO (NC_045512) was cloned, expressed in E. coli, and purified by WuXi. The substrate of Dabcyl-KTSAVLQIISGFRKME-(Edans) was synthesized by Genscript. The assay buffer contained 20 mM of Tris-HCl (pH=7.3), 100 mM of NaCl, 1 mM of EDTA, 5 mM of TCEP and 0.1% BSA. The final concentrations of the Mpro protein and substrate were 25 nM and M, respectively, in the MPRO enzymatic assay. Reference compound GC376 was provided by WuXi AppTec and was included in each plate to ensure assay robustness. Test compounds were tested at single dose or 10 doses titration, in duplicate. Compounds were added to an assay plate (384w format) using ECHO, in duplicate wells. The final concentration is 10 &#956;M for the single dose experiment. As for the full dose response experiment, samples were 3-fold serially diluted starting from 25 &#956;M for 10 doses and added to an assay plate, in duplicate wells. The final concentrations (M) of each compound was 25, 8.33, 2.778, 0.926, 0.309, 0.103, 0.034, 0.011, 0.0038, and 0.0013. MPRO protein (25 &#956;L, 30 nM) was added to an assay plate containing test compounds using a Multidrop. The test compound and MPRO protein were pre-incubated at RT for 30 min. Then, substrate (5 &#956;L, 150 &#956;M) was added to an assay plate. For 100% inhibition controls (HPE, high percent effect), 1 &#956;M of GC376 was added. For no inhibition controls (ZPE, zero percent effect), the same volume of DMSO was added. The final DMSO concentration was 1%. Each activity testing point had a relevant background control without the enzyme to remove the fluorescence interference of the compound. After 60 min incubation at 30° C., the fluorescence signal (RFU) was detected using a microplate reader M2e (SpectraMax) at Ex/Em=340 nm/490 nm.
11414	1	In Vitro Enzyme Inhibition Assay for JMJD2C Activity	The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 nM JMJD2C, 300 nM H3K9me3-biotin labeled peptide (Anaspec cat #64360), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-di-methylated histone H3 lysine 9 (H3K9me2) antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K9me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO were added to each well of the plate, followed by the addition of 2 &#956;l of 0.9 nM JMJD2C to initiate the reaction. The reaction mixture was incubated at RT for 30 min,and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K9me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
11414	2	In Vitro Enzyme Inhibition Assay for JMJD3 Activity	The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test compounds to inhibit the activity of JMJD3 was determined in 384-well plate format under the following reaction conditions: 5 nM JMJD3, 250 nM H3K27me3-biotin labeled peptide (Anaspec cat #64367), 0.4 to 2 &#956;M &#945;-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 5 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K27me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 50 nM and 1 nM, respectively.The assay reaction was initiated by the following: 2 &#956;l of the mixture of 750 nM H3K27me3-biotin labeled peptide and 1.2 to 6 &#956;M alpha-ketoglutaric acid with 2 &#956;L of 11-point serial diluted inhibitor in 3% DMSO were added to each well of plate, followed by the addition of 2 &#956;l of 15 nM JMJD3 to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;L of 5 mM EDTA in LANCE detection buffer containing 100 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K27me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio from the readout of 665/615 was calculated for each well and fitted to determine inhibition constant (IC50).
11414	3	In Vitro Enzyme Inhibition Assay for Jarid1B Activity	The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8 nM Jarid1B, 300 nM H3K4me3-biotin labeled peptide (Anaspec cat #64357), 2 &#956;M alpha-ketoglutaric acid in assay buffer of 50 mM HEPES, pH7.3, 0.005% Brij35, 0.5 mM TCEP, 0.2 mg/ml BSA, 50 &#956;M sodium L-ascorbate, and 2 &#956;M ammonium iron(II) sulfate. Reaction product was determined quantitatively by TR-FRET after the addition of detection reagent Phycolink Streptavidin-allophycocyanin (Prozyme) and Europium-anti-H3K4me or -H3K4me2 antibody (PerkinElmer) in the presence of 5 mM EDTA in LANCE detection buffer (PerkinElmer) at a final concentration of 25 nM and 1 nM, respectively. The assay reaction was initiated by the following: 2 &#956;l of the mixture of 900 nM H3K4me3-biotin labeled peptide and 6 &#956;M alpha-ketoglutaric acid with 2 &#956;l of 11-point serial diluted inhibitor in 3% DMSO was added to each well of the plate, followed by the addition of 2 &#956;l of 2.4 nM Jarid1B to initiate the reaction. The reaction mixture was incubated at RT for 30 min, and terminated by the addition of 6 &#956;l of 5 mM EDTA in LANCE detection buffer containing 50 nM Phycolink Streptavidin-allophycocyanin and 2 nM Europium-anti-H3K4me/H3K4me2 antibody. Plates were read by EnVisionMultilabel Reader in TR-FRET mode (excitation at 320 nm, emission at 615 nm and 665 nm) after 1 hr incubation at RT. A ratio was calculated (665/615) for each well and fitted to determine inhibition constant (IC50).
11415	1	TYK2 JH2 Domain Binding Assay	Developed by DiscoverX, KINOMEscan employs proprietary active-site dependent competition binding assays to determine how compounds bind to kinases. KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active site directed ligand. The assay is performed by combining three components: DNA-tagged kinase; immobilized ligand; and a test compound. The ability of the test compound to compete with the immobilized ligand is measured via quantitative PCR of the DNA tag.Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining TYK2 (JH2domain-pseudokinase), liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17× PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. All test compounds were shipped to DiscoverX in DMSO with concentration of 10 mM. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. Each compound was tested in duplicate. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1× PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1× PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR. The amount of kinase measured by qPCR (Signal; y-axis) is plotted against the corresponding compound concentration in nM in log10 scale (x-axis).
11415	2	JAK1 JH2 and JAK2 JH1 Domain Binding Assay	Similar to the method for TYK2 JH2 binding described above, JAK1 JH2 and JAK2 JH1 domain binding assay was performed using DiscoverX&#39;s KINOMEscan, but with change of kinase domain. These assays were performed to compare the binding selectivity of test compounds to JAK1 JH2 and JAK2 JH1 domain.
11416	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
11417	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#955;exc 485 nm; (&#955;emm520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
11418	1	Inhibitory Activity on mTOR Kinase	The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN&#153; technology (Lifetechnologies). The reaction substrate (400 nM final), the serial dilutions of the molecules (1% DMSO final) and the enzyme (<1 nM) are successively added to a 384-well plate (Corning 4514) in a final volume of 10 &#956;L per well. After 1 hour of reaction at room temperature, 10 &#956;L of a solution containing 10 mM final of EDTA and 2 nM final of terbium-labeled antibodies are added. After at least 30 minutes of incubation at room temperature, the TR-FRET signal is measured with a suitable microplate reader according to the supplier&#39;s recommendations. The data are normalized with positive controls (POS containing a saturating concentration of reference inhibitor) and negative controls (NEG containing 1% DMSO): % inhibition=((X-NEG)*100)/(POS-NEG). The IC50 values are calculated using a 4-parameter logistic model with the aid of the XLFit software (IDBS).
11419	1	Binding Competition Assay with Human NK-3 Receptor	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist3 H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl21 mM/MgCl2 5 mM/BSA 0.5%/Saponin 10 &#956;g/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
11419	2	Human NK-1 Binding assay	The affinity of compounds of the invention for the NK-1 receptor was evaluated in CHO recombinant cells which express the human NK-1 receptor. Membrane suspensions were prepared from these cells. The following radioligand: [3H] substance P (PerkinElmer Cat #NET111520) was used in this assay. Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 5 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KDis its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
11419	3	Human NK-2 Binding Assay	The affinity of compounds of the invention for the NK-2 receptor was evaluated in CHO recombinant cells which express the human NK-2 receptor. Membrane suspensions were prepared from these cells. The following radioligand [125I]-Neurokinin A (PerkinElmer Cat #NEX252) was used in this assay. Binding assays were performed in a 25 mM HEPES/1 mM CaCl2)/5 mM MgCl2/0.5% BSA/10 &#956;g/ml saponin, at pH 7.4. Binding assays consisted of 25 &#956;l of membrane suspension (approximately 3.75 &#956;g of protein/well in a 96 well plate), 50 &#956;l of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25° C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
8857	1	Enzymatic Assay	Human recombinant USP1/UAF1 expressed in baculovirus infected Sf21 cells were used (R&D, E-568-050). Test compound and/or vehicle was incubated with 2 nM of USP1/UAF1 in modified HEPES buffer pH 8.0 for 15 minutes at RT. The reaction was initiated by addition of 500 nM of Ubiquitin Rhodamine 110 (R&D, U-555-050) for kinetic reading. Slope change of fluorescence intensity was read spectrofluorimetrically at 485 nm/535 nm. Dose response of test compounds or reference compound ML-323 was analyzed by nonlinear regression of GraphPad prism software.
9895	1	TNIK Inhibition Assay	The compounds were studied for function as TNIK inhibitors to generate the data of Table 1. The compound was incubated with 8 mM MOPS at pH 7.0, 0.2 mM EDTA, 250 &#956;M TNIK control peptide, 10 mM Magnesium acetate, and [&#947;-33P-APT] (specific activity and concentration as required). The reaction is initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%. 10 &#956;l of the reaction is then spotted onto a P30 filtermat and washed four time for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Additional information can be found in Eurofins Kinase Profiler Service Assay Protocols v85.2, which is incorporated herein by specific reference in its entirety.
9895	2	In Vitro Assay	The MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 uM, 10 mM MgAcetate and [gamma-33P-ATP] (specific activity and concentration as required). The reaction is initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%. 10 ul of the reaction is then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.
11334	1	CYP3A4 Inhibitory Activity Assay	Test compounds, DMSO (negative control), and ketoconazole (positive control) were diluted to 4× final concentrations in water. The standard final Compound concentrations were 37, 111, 333, 1000, and 3000 nM. 12.5 &#956;L of the Compound dilutions were transferred to a white 96-well plate. 1450 &#956;L (enough for a whole plate) of 4× assay buffer (400 mM potassium phosphate buffer (10 mL 1M potassium phosphate buffer: 8.02 mL 1M K2HPO4 +1.98 mL 1M KH2PO4 (1.4 g K2HPO4 +0.27 g KH2PO4 in 10 mL H2O), 32 &#956;M Luciferin-IPA (Promega V9002)) 580 &#956;l of 1 M K3PO4 buffer, 870 &#956;L H2O, 14 &#956;L of 3 mM Luciferin-IPA, and 18 &#956;L of human liver microsome (Sigma M0317-1VL) was made. 12.5 &#956;L of 4× assay buffer was added to each well. For the well of blank control, 12.5 &#956;L of 4× assay buffer without liver microsome was added. The plate was incubated at room temperature for 15 minutes. 2.75 mL NADPH buffer was made as follows: 2.42 mL H2O, 275 &#956;L solution A and 55 &#956;L solution B (NADPH regeneration system, Promega V9510). 25 &#956;L of the buffer was added to each well. The plates were incubated at 37° C. for 11 minutes. 50 &#956;L of luciferin detection reagent (Promega V9002) was added and the plates were incubated at room temperature for 5 minutes. The plate was read with a luminometer.
11420	1	BTK Kinase Assay	1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DMSO.2. Reaction procedure:2.1. Preparing an indicator substrate in a freshly prepared reaction buffer 2.2. Delivering the desired cofactor to the above substrate solution 2.3. Delivering the indicated kinase to the substrate solution and gently mixing same 2.4. Delivering the compounds in DMSO to the kinase reaction mixture using acoustic technology (Echo550) 2.5. Initiating the reaction (final concentration of ATP: 5 &#956;M) by delivering 33P-ATP (final specific activity: 0.01 &#956;ci/&#956;L) to the reaction mixture 2.6. Incubating the kinase reaction at room temperature for 120 minutes 2.7. Recording the reaction on P81 ion exchange paper (Whatman #3698-915) 2.8. Washing the filter widely with 0.75% phosphoric acid 2.9. Measuring the radioactive phosphorylated substrate remaining on the filter paper. 3.Data analysis: the kinase activity data is expressed as the percentage of the remaining kinase activity in a test sample compared to a reaction with a carrier (dimethyl sulfoxide), and IC50 values and curve fitting are obtained using Prism4 software (GraphPad).
11420	2	EGFR, ITK and TEC Kinase Assay	1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DMSO. 2. Reaction procedure:2.1. Preparing an indicator substrate in a freshly prepared reaction buffer 2.2. Delivering the desired cofactor to the above substrate solution 2.3. Delivering the indicated kinase to the substrate solution and gently mixing same 2.4. Delivering the compounds in DMSO to the kinase reaction mixture using acoustic technology (Echo550) 2.5. Initiating the reaction (final concentration of ATP: 2 &#956;M, 5 &#956;M and 5 &#956;M respectively) by delivering 33P-ATP (final specific activity: 0.01 &#956;ci/&#956;L) to the reaction mixture 2.6. Incubating the kinase reaction at room temperature for 120 minutes 2.7. Recording the reaction on P81 ion exchange paper (Whatman #3698-915) 2.8. Washing the filter widely with 0.75% phosphoric acid 2.9. Measuring the radioactive phosphorylated substrate remaining on the filter paper. 3. Data analysis: the kinase activity data is expressed as the percentage of the remaining kinase activity in a test sample compared to a reaction with a carrier (dimethyl sulfoxide), and IC50 values and curve fitting are obtained using Prism4 software (GraphPad).
11421	1	SHP2 Allosteric Inhibition Assay	The phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, non-binding surface (Corning, Cat #3650) using a final reaction volume of 100 &#956;L and the following assay buffer conditions: 50 mM HEPES, pH 7.2, 100 mM NaCl, 0.5 mM EDTA, 0.05% P-20, 1 mM DTT. The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.00005-10 &#956;M) was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2 N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) or Activating Peptide 2 (sequence: H2 N-LN(pY)AQLWHA(dPEG8)LTI(pY)ATIRRF-amide). After 30-60- minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control-based normalization.
11422	1	RIP2 Kinase Assay	GST-tagged recombinant human RIP2 (25 ng) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of MBP (0.5 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 &#956;M DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 60 minutes. After the incubation, 25 &#956;L ADP-Glo reagent was added, and the reaction was incubated at 30° C. for 40 minutes to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30 minutes room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and Sigma Plot 13.0.
11422	2	c-Abl Kinase Assay	ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(&#946;-aminoethyl ether)-N,N,N&#8242;,N&#8242;-tetraacetic acid (EGTA), tween-20, 1,4-dithiothreitol (DTT) and dimethyl sulfoxide (DMSO) were purchased from Sigma-Aldrich. HEPES buffer was purchased from Gibco. ABL1 kinase and Abltide were purchased from Signalchem. c-Abl kinase activity was measured by Promega&#39;s ADP-Glo Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/&#956;l) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of Abltide (0.01 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (50 mM HEPES, 7.5; 10 mM MgCl2; 1 mM EGTA; 0.05% BSA; 0.01% Tween-20; 2 mM DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 30 min. After the incubation, 25 &#956;L ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 &#956;L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and Sigma Plot 13.0.
11423	1	Enzyme Activity Assay	An enzyme activity assay for BLVRB was conducted. Since BLVRB catalyzes the NAD(P)H dependent readuction of FMN, changes in the NAD(P)H concentration in the presence of FMN can be used to measure enzyme activity in the absence (control) and presence of drug candidates. The IC50 (the concentration of the drug candidate at which BLVRB activity to convert NADPH to NADP+ in the presence of FMN was reduced to 50%) was used as the selection criterion for the screenings of more potent inhibitory molecules with lower IC50 value. Native form of BLVRB (without NADP+) was used for enzyme activity assay. Assay was performed by monitoring the rate of oxidation of NADPH at 340 nm with Gemini EM Microplate Reader. All assays were operated at 25° C. in 100 mM Phosphate-buffered saline, 0.01% of triton X-100, 100 &#956;M FMN, 100 &#956;M NADPH, 1 &#956;M BLVRB and variable concentration of compounds of the present disclosure. The control reactions were carried out in the absence of compounds of the present disclosure to compare the effectiveness of the drug. FMN and NADPH were freshly constructed with 10 mM stock daily, calculated by UV/Vis spectrometer. In each case, FMN was added to initiate the reaction and measured for 30 minutes. The concentration of the compounds of the present disclosure was sequentially decreased in the order of 100 &#956;M, 25 &#956;M, and 5 &#956;M.
11424	1	LanthaScreen Eu Kinase Binding Assay	Binding of an Alexa Fluor&#153; conjugate or &#147;tracer&#148; to a kinase is detected by addition of an Eu-labeled anti-tag antibody. Binding of the tracer and antibody to a kinase result in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. This assay is carried out by mixing the compound tested with the reagents and reading, no development step is required. Life Technologies&#39; Kinase Tracers are based on ATP-competitive kinase inhibitors, making them suitable for detection of any compounds that bind to the ATP site. Inhibitors that bind the ATP site include both Type I kinase inhibitors, which bind solely to the ATP site, and Type II inhibitors (e.g., Gleevec /Imatinib, Sorafenib, BIRB-796), which bind to both the ATP site and a second site often referred to as the allosteric site. The following protocol is used to carry out this assay: The Test Compounds are screened in 1% DMSO (final) in the well. For 10-point titrations, 3-fold serial dilutions are conducted from the starting concentration. All Kinase/Antibody Mixtures are diluted to a 2× working concentration in the specified kinase buffer. The 4× AlexaFluor labeled Tracer is prepared in Kinase Buffer. Assay Protocol Bar-coded, low volume, white 384-well plate (Greiner Cat. #784207) 1. 160 nL100× Test Compound in 100% DMSO 2. 3.84 &#956;L&#151;Kinase Buffer 3. 8.0 &#956;L2× Kinase/Antibody Mixture 4. 4.0 &#956;L&#151;4× Tracer 5. 30-second plate shake 6. 60-minute incubation at room temperature7. Read on fluorescence plate reader and analyze the data. The following controls are made for each individual kinase and are located on the same plate as the kinase:0% Displacement Control: the maximum Emission Ratio is established by the 0% Displacement Control wells, which do not contain known inhibitor in the reaction and therefore exhibits no displacement of the tracer. 100% Displacement Control: the minimum Emission Ratio is established by the 100% Displacement Control wells, which contain the highest concentration of the known inhibitor used in that assay. Known Inhibitor Control Protocol: a known inhibitor control standard curve, 10-point titration, is run for each individual kinase on the same plate as the kinase to ensure the inhibitor is displaced within an expected IC50 range previously determined.
11425	1	Biochemical Kinase Assay	Reagents and materials: ABL (ThermoFisher, Cat. No. PV3585), ABL T315I(Thermo Fisher, Cat. No. PR7429B), Ret (Carna, Cat. No. 08-159-10 ug), RET<sup>V804M, Active (Signalchem, Cat. No. R02-12GG), ATP (Sigma, Cat. No. A7699-1G), DMSO (Sigma, Cat. No. D2650), 96-well plate (Corning, Cat. No. 3365), 384-well plate (Greiner, Cat. No. 784076), buffer solution (Thermo Fisher, Cat. No. PR4876B). Specific Assay Method: Compound formulation: The test compounds were dissolved in DMSO to prepare a 20 mM stock solution. Before use, the compounds were diluted in DMSO to 0.1 mM, and diluted into 11 concentrations with a 3-fold gradient. When addition, dilutions of 4-fold final concentration were then made with buffer solution. Kinase assay method: After preparing the buffer, the enzyme was mixed with pre-formulated and diluted compounds of different concentrations in duplicate for each concentration, and placed at room temperature for 30 minutes. The corresponding substrate and ATP were added thereto,and reacted at room temperature for 60 minutes (both a negative and a positive control were set). After the reaction, antibody was added for detection, Envision detection was carried out after 60 minutes incubation at room temperature, and data was collected. Data analysis and fitting were made according to XLfit5 software. Compounds of the present disclosure were tested in the above kinase inhibition assay, and it is found that the compounds of the present disclosure have potent activity against ABL, ABLT315I, Ret and RETV804M.
11426	1	Binding Affinity Assay	The ability of some of the ligands to bind to the CB1/CB2 receptors with a tight/irreversible binding mode was determined by measuring reductions in the binding for the radioligand [3H]CP-55,940 when the receptor preparation was pretreated with the tight/irreversible ligand, and comparing it to the untreated sample as disclosed in Ogava et al.J. Med. Chem. (2015) 58, 3104. Reductions in the specific binding (Bmax) of [3H]CP-55,940 after ligand pretreatment indicate ability of the ligand to tight/irreversibly bind to the receptor. As detailed in Ogava et al.J Med. Chem. (2015) 58, 3104, the experiment was conducted by pretreating the sample with a concentration equal to 10-fold the compound&#39;s Ki value for the receptor in question and subsequently measuring the decrease of Bmax obtained from a saturation curve using [3H]CP-55,940.
365	1	HBV DNA Quantification Assay	A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in DMEM growth medium, Dulbecco&#39;s Modified Eagle Medium without sodium pyruvate (Life Technologies, Rockville, Md.) supplemented with 10% FBS (Thermo Scientific, Waltham, Md.), 1% penicillin/streptomycin (Life Technologies, Rockville, Md.) and 2 mM L-glutamine (Life Technologies, Rockville, Md.) in T175 flasks. Cells were infected with HBV AD38 viral particles (Texcell, Frederick, USA) at 4000 genome equivalents per cell. After allowing viral infection to take place for 4 days, the infected cells were harvested from the flasks by trypsinization, washed twice with OptiMEM (Life Technologies, Rockville, Md.) and re-suspended in DMEM containing 2% FBS and 1% DMSO at a density of 0.25E6 cells/ml. Infected cells were seeded on 384 well collagen coated plates (Greiner, Austria) at a density of 20,000 cells/well containing serially diluted compounds of the present disclosure or DMSO (0.5%) in a final volume of 80 &#956;l. The assay plates were incubated for a period of 5 days and the antiviral activity of the test compounds were assayed by detecting the presence of HBV DNA in the culture supernatant using the QuantiGene 2.0 nucleic acid quantification kit (Affymetrix, Santa Clara, Calif.). The culture supernatant was harvested and treated with lysis buffer containing Proteinase K (Affymetrix, Santa Clara, Calif.). The supernatant was incubated with HBV viral DNA specific probes (Affymetrix, Santa Clara, Calif.) for 30 minutes at 55° C. This was followed by addition of 0.2M NaOH for 30 minutes at room temperature to denature the DNA, followed by addition of Neutralization buffer (Affymetrix, Santa Clara, Calif.). The resulting lysed and neutralized supernatant was then added to QuantiGene 2.0 384 well plates coated with capture oligonucleotides and incubated overnight at 55° C. The HBV specific probe set consists of Capture Extender oligonucleotides (CE&#39;s) and blocking probes. Following the overnight incubation, the wells were incubated for one hour sequentially with a Pre-Amplifier, Amplifier and Labeled probes conjugated to alkaline phosphatase with a wash step between incubations. After the final wash step, the alkaline phosphatase substrate (Luminol APS5) was added and the resulting luminescence signal was read in an EnVision Multilabel Plate Reader (PerkinElmer, Santa Clara, Calif.). The EC50 values were calculated from the fit of the dose-response curves to a four-parameter equation. All EC50 values represent geometric mean values of a minimum of four determinations.
547	1	MEK1-Inhibiting Activity	The test compound, CRAF (Thermo Fisher Scientific Inc.), MEK1 (Thermo Fisher Scientific Inc.) and ERK2 (Carna Biosciences, Inc.) were mixed in ATP-containing buffer and reacted for 60 minutes at 30° C. FAM-labeled ERKtide (Molecular Devices Corp.) was then added and reaction was continued for 45 minutes at 30° C. IMAP (registered trademark) Progressive Binding Reagent (Molecular Devices Corp.) was further added, and reaction was continued for 15 minutes at room temperature. Following the reaction, the fluorescent polarization was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control.
547	2	BRAF-Inhibiting Activity	The test compound, BRAF (Eurofins Genomics KK.) and MEK1 (Thermo Fisher Scientific Inc.) were mixed in ATP-containing buffer and reacted for 90 minutes at 30° C. LANCE (registered trademark) Eu-Phospho-MEK1/2(Ser217/221) antibody (Perkin-Elmer) was then added, and reaction was continued for 60 minutes at room temperature. Following the reaction, the fluorescence resonance energy transfer was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control.
1204	1	TBD	TBD
1313	1	Calcium Flux Assays (hB1 IC50 free)	Notably, Compound Examples are tested in the FLIPR assays in the absence (hB1 free IC50) of 0.1% BSA in assay buffer, in order to assess the potency shifts due to serum protein binding of Compound Examples. The effect of BSA on the potency of endothelin receptor antagonists have been described in the prior art (Wu-Wong, J. R. et al. (1997), JPET 281: 791-798). The teaching can be applied in analogy to testing the potency of Bradykinin B1 receptor antagonist in the FLIPR assays. For the calcium flux assay, 80% confluent cells are detached from the culture vessels with Versene (Gibco), and seeded into 384-well plates (Cell binding Surface; Corning, N.Y.; #3683) at a density of 15,000 cells per well. Cells are seeded in a volume of 50 &#956;L in medium without antibiotics and incubated overnight in a humidified atmosphere with 5% CO2 at 37° C. The following day, the medium is replaced with 20 &#956;L of 5 &#956;M Fluo-4AM dye (Molecular Probes) in assay buffer (2.5 mM probenicid, 1 mg/mL pluronic acid, 135 mM NaCl, 5 mM KCl, 1.8 mM CaCl, 1 mM MgCl2, 10 mM HEPES, 5.6 mM glucose, and 0.05% gelatine, pH 7.4), which contains or lacks 0.1% BSA for determination of compound potency units as hB1 IC50 or hB1 free IC50, respectively. The calcium indicator loaded cells are incubated at 37° C. for 2 hrs. Extracellular dye is then removed and each well is filled with 45 &#956;L of assay buffer. Cell plates are kept in dark until used. Compound examples are assayed at 8 concentrations in triplicate. Serial 10-fold dilutions in 100% DMSO are made at a 100-times higher concentration than the final concentration, and then diluted 1:10 in assay buffer. 5 &#956;L of each diluted compound is added to the well of cell plates (yielding final concentration with 1% DMSO), and incubated for 30 min at 28° C. before the addition of Bradykinin B1 receptor agonist on the FLIPR instrument. Agonist plates contain the agonist Lys-(Des-Arg)-Bradykinin (Bachem, Brackley) at 3.5×EC90 in assay buffer with 1% DMSO. The addition of agonist 20 &#956;l per well to the assay plate is carried out on the FLIPR instrument while continuously monitoring Ca2+-dependent fluorescence at 538 nm. A peptide antagonist Lys-(Des-Arg-Leu)-Bradykinin (Bachem, Brackley) at 20 &#9633;M is used to determine the full inhibition as control. Peak fluorescence is used to determine the response to agonist obtained at each concentration of Compound Examples by the following equation: % Response=100*(RFU(compound)&#8722;RFU(control))/(RFU(DMSO)&#8722;RFU(control)) RFU means relative fluorescence units. Control means full inhibition by the peptide antagonist Lys-(Des-Arg-Leu)-Bradykinin at 20 &#9633;M.The response values are plotted against the logarithm of the compound concentrations. The Compound Examples are tested in triplicates per plate and mean values are plotted in Excel XLfit to determine IC50 values, percentage of maximal inhibition and the Hill slopes.
1313	2	Calcium Flux Assays (hB1 IC50 IMR90)	Notably, Compound Examples are tested in the FLIPR assays in the presence (hB1 free IC50) of 0.1% BSA in assay buffer, in order to assess the potency shifts due to serum protein binding of Compound Examples. The effect of BSA on the potency of endothelin receptor antagonists have been described in the prior art (Wu-Wong, J. R. et al. (1997), JPET 281: 791-798). The teaching can be applied in analogy to testing the potency of Bradykinin B1 receptor antagonist in the FLIPR assays. For the calcium flux assay, 80% confluent cells are detached from the culture vessels with Versene (Gibco), and seeded into 384-well plates (Cell binding Surface; Corning, N.Y.; #3683) at a density of 15,000 cells per well. Cells are seeded in a volume of 50 &#956;L in medium without antibiotics and incubated overnight in a humidified atmosphere with 5% CO2 at 37° C. The following day, the medium is replaced with 20 &#956;L of 5 &#956;M Fluo-4AM dye (Molecular Probes) in assay buffer (2.5 mM probenicid, 1 mg/mL pluronic acid, 135 mM NaCl, 5 mM KCl, 1.8 mM CaCl, 1 mM MgCl2, 10 mM HEPES, 5.6 mM glucose, and 0.05% gelatine, pH 7.4), which contains or lacks 0.1% BSA for determination of compound potency units as hB1 IC50 or hB1 free IC50, respectively. The calcium indicator loaded cells are incubated at 37° C. for 2 hrs. Extracellular dye is then removed and each well is filled with 45 &#956;L of assay buffer. Cell plates are kept in dark until used. Compound examples are assayed at 8 concentrations in triplicate. Serial 10-fold dilutions in 100% DMSO are made at a 100-times higher concentration than the final concentration, and then diluted 1:10 in assay buffer. 5 &#956;L of each diluted compound is added to the well of cell plates (yielding final concentration with 1% DMSO), and incubated for 30 min at 28° C. before the addition of Bradykinin B1 receptor agonist on the FLIPR instrument. Agonist plates contain the agonist Lys-(Des-Arg)-Bradykinin (Bachem, Brackley) at 3.5×EC90 in assay buffer with 1% DMSO. The addition of agonist 20 &#956;l per well to the assay plate is carried out on the FLIPR instrument while continuously monitoring Ca2+-dependent fluorescence at 538 nm. A peptide antagonist Lys-(Des-Arg-Leu)-Bradykinin (Bachem, Brackley) at 20 &#9633;M is used to determine the full inhibition as control. Peak fluorescence is used to determine the response to agonist obtained at each concentration of Compound Examples by the following equation: % Response=100*(RFU(compound)&#8722;RFU(control))/(RFU(DMSO)&#8722;RFU(control)) RFU means relative fluorescence units. Control means full inhibition by the peptide antagonist Lys-(Des-Arg-Leu)-Bradykinin at 20 &#9633;M.The response values are plotted against the logarithm of the compound concentrations. The Compound Examples are tested in triplicates per plate and mean values are plotted in Excel XLfit to determine IC50 values, percentage of maximal inhibition and the Hill slopes.
1379	1	RORgamma Reporter Assay (Gal4)	The HEK293 cell line is co-transfected transiently with two plasmids, one with the ROR&#947; ligand-binding domain fused to galactose-responsive transcription factor (Gal4), and the other with the luciferase reporter gene and Gal binding sites (UAS). This construction allows to determine the ROR&#947; activity in a cellular system through the measurement of luminescence. A suspension of ROR&#947; reporter cells was dispensed into plates and cultured 2 h at 37° C. and 5% CO2. Media formulation consisted in DMEM/F-12 medium (Gibco) supplemented with 10% heat inactivated FBS (Sigma-Aldrich), non-essential aminoacids (Sigma-Aldrich), 2 mM Glutamax (Gibco) and 100 U/mL penicillin (Sigma-Aldrich). Dose-response curves with compounds were prepared in 100% DMSO and further diluted 100-fold in culture medium. Compound solutions were added to the plate containing cells (final DMSO concentration of 0.1%) and incubated for 24 h at 37° C. and 5% CO2. Luciferase detection reagent was added to each well, and relative light units (RLUs) were quantified from each assay well using a plate reading luminometer.Values of average RLU±S.D. were computed for all treatment sets, followed by the calculations of percent-reduction of ROR&#947; activity in response to respective test compound. The following formula was used: activity=100*[1&#8722;[x test compound/average vehicle] where the theoretical minimum reduction (0% reduction). For all experiments, the activity values were plotted versus compound concentrations in one single plot and adjusted to a four-parameter logistic curve to obtain the absolute EC50 value along with the 95% confidence interval. These calculations were performed in excel-fit software using X-204 model curve.
1382	1	GCN2 Enzyme Inhibition (ATP 10 uM)	The inhibitory activity of the Example compounds towards GCN2 enzyme was measured according to the description below, using a LanthaScreen TR-FRET (Time Resolved Fluorescence Resonance Energy Transfer) Kinase Activity assay distributed by ThermoFisher Scientific. The full-length human GCN2 enzyme (UniProt accession number Q9P2K8) was used for all experiments (Carna Bioscience). The TR-FRET pair was composed of GFP-eIF2&#945; and LanthaScreen Terbium-labeled anti-peIF2&#945; (pSer52) Antibody. Each example compound was dissolved in DMSO (0.15 mM) and dispensed in a 384-well plate by a D300 dispenser (Tecan) to a final concentration range 3000-0.13 nM using the logarithmic dilution mode in 2 replicates. Full inhibition (3000 nM commercial reference inhibitor) and DMSO vehicle control wells were also included on the same plate. All volumes were normalized to the final DMSO concentration of 2% of the reaction volume. Next, 5 &#956;L of H2O was added to each well of the plate. 
1382	2	GCN2 Enzyme Inhibition (ATP 300 uM)	The inhibitory activity of the Example compounds towards GCN2 enzyme was measured according to the description below, using a LanthaScreen TR-FRET (Time Resolved Fluorescence Resonance Energy Transfer) Kinase Activity assay distributed by ThermoFisher Scientific. The full-length human GCN2 enzyme (UniProt accession number Q9P2K8) was used for all experiments (Carna Bioscience). The TR-FRET pair was composed of GFP-eIF2&#945; and LanthaScreen Terbium-labeled anti-peIF2&#945; (pSer52) Antibody. Each example compound was dissolved in DMSO (0.15 mM) and dispensed in a 384-well plate by a D300 dispenser (Tecan) to a final concentration range 3000-0.13 nM using the logarithmic dilution mode in 2 replicates. Full inhibition (3000 nM commercial reference inhibitor) and DMSO vehicle control wells were also included on the same plate. All volumes were normalized to the final DMSO concentration of 2% of the reaction volume. Next, 5 &#956;L of H2O was added to each well of the plate.
1392	1	Luciferase reporter assay	10 &#956;L of supernatant from the assay was transferred to white 384-plate with flat bottom and squared wells. One pouch of QUANTI-Luc Plus was dissolved in 25 mL of water. 100 &#956;L of QLC Stabilizer per 25 mL of QUANTI-Luc Plus solution was added. 50 &#956;L of QUANTI-Luc Plus/QLC solution per well was then added. Luminescence was measured on a Platereader (e.g., Spectramax I3X (Molecular Devices GF3637001)).
1564	1	Acute APOL1 Thallium Assay	Apolipoprotein L1 (APOL1) proteins form potassium-permeable cation pores in the plasma membrane. APOL1 risk variants (G1 and G2) induce greater potassium flux than G0 in HEK293 cells. This assay exploits the permeability of thallium (Tl+) through ligand-gated potassium channels. The dye produces a bright fluorescent signal upon binding to Tl+ conducted through potassium channels. The intensity of the Tl+ signal is proportional to the number of potassium channels in the open state. Therefore, it provides a functional indication of the potassium channel activities. During the initial dye-loading step, the Tl+ indicator dye as an acetoxymethyl (AM) ester enters the cells through passive diffusion. Cytoplasm esterases cleave the AM ester and relieve its active thallium-sensitive form. The cells are then stimulated with Tl+. The increase of fluorescence in the assay represents the influx of Tl+ into the cell specifically through the potassium channel (i.e. through APOL1 pores), providing a functional measurement of potassium channel/pore activity. The Thallium assay is conducted with cells expressing G1 APOL1.
1564	2	Trypanosoma brucei Brucei Lysis Assay	Briefly, the AlamarBlue active compound, the resazurin, a blue, water soluble, non-toxic and cell permeable molecule, which can be followed by absorbance, is reduced by various metabolic pathways into resorufin, a red compound which can be followed by either absorbance or fluorescence. The assay allows the calculation of the percent viability (percent of living Trypanosomes remaining in each well) at the end of a lysis relative to the untreated condition by interpolation of fluorescent values (FLU) on a standard curve with a known amount of seeded trypanosome/well.
1993	1	GLP-1R agonist cAMP stimulation Assay	cAMP Detection Kit, Cisbio (Cat #62AM4PEJ).
1993	2	Tag-Lite Binding Assay	Tag-Lite Binding Assay.
2286	1	Biochemical KDM5A Inhibition Assay	Using 384-well white Greiner784075 (Greiner), representative compounds were characterized for their inhibition of KDM5A using HTRF technology (Cisbio Bioassays). Briefly, the test compounds, reference compounds, and DMSO control (typical compound concentration range 1 pM-10 &#956;M, final assay concentration (FAC*) of DMSO 0.5%) were added to 384-well plate by the Echo acoustic dispensing platform (Labcyte). Five (5) &#956;l of KDM5A protein (produced by the method described in Nat Chem Biol 12, 531-538 (2016)). (5-20 nM FAC*) in assay buffer (50 mM MES, 50 mM NaCl, 1 mM TCEP, 0.01% v/v Tween 20, 0.03% BSA, pH 6.5) was added to wells and plates were incubated for 10-20 minutes at 25 degrees celsius. Then, 5 &#956;l of alpha-ketoglutaric acid (100 &#956;M FAC*), biotin-labelled H3K4-Me3 substrate (Anaspec Cat #AS-64357-1; 200 nM FAC*), Fe(II)SO4 (100 &#956;M FAC*) and ascorbic acid (2 mM FAC*) in assay buffer was added to wells and plates were incubated for 20 minutes at room temperature. The reaction was stopped with the addition of 10 &#956;l of anti-H3K4-Me2-Eu(K) (Cisbio Bioassays Cat #61KA2KAH; 0.75 nM FAC**)+Streptavidin XL665 (Cisbio Bioassays Cat #610SAXLB; 25 nM FAC**) in HTRF detection buffer (Cisbio Bioassays Cat #62SDBRDF). The mixture was incubated for 30 minutes at room temperature before 340 nm excitation and measurement of dual emission at 620 nm and 665 nm.
2507	1	DGKalpha and DGKzeta Biochemical Assays	Compounds of the present invention were prepared into 10 mM DMSO solution and 10 nL of stock was transferred into 384 plates (Optiplate 384 plate) using Echo550. DMSO was used as high control, and ATP substrate buffer was used as a low control. A 1× enzyme assay buffer was prepared (Hepes, pH 7.0 25 mM, BSA 0.05%, Triton-X100 0.002%, CaCl2) 1 &#956;M, MgCl2 10 mM, DTT 2 mM). The enzyme assay was performed by diluting enzyme DGK&#945; (1 &#956;g/&#956;L DGK&#945;, Carna12-101, SEQ ID NO: 3) or DGK&#950; (1&#956;/&#956;L DGK&#950;, Carna 12-110, SEQ ID NO: 4) using 1× assay buffer. OAG (1-oleoyl-2-acetyl-sn-glycerol, 25 mg/ml, Avanti 8001000) and PS (10 mg/ml, Avanti 840032P) were mixed at the ratio of 1:2. A 1× substrate solution was prepared with 1× assay buffer by 100-fold dilution. The substrate solution was sonicated on ice for 1 min. The pure ATP was added to the substrate solution (DGK&#945;:400 &#956;M). 5 &#956;L of the enzyme solution were added to the 384 well plate, and the plate was spun for 1 min at 1000 rpm and incubated for 30 mins at RT. 5 &#956;L of 1× substrate solution were added to the 384 well plate, the plate was spun and then incubated for 45 mins at RT. 10 &#956;L ADP-Glo detergent was added to stop the assay. After 60 mins at RT, 20 &#956;L ADP-Glo Detection buffer was added as the final step. Plate was read after 45 min incubation at RT.
9026	1	Biochemical Activity ACSS2 Assay	The biochemical activity assay for ACSS2 is based on the detection of released AMP by AMP-Glo Assay kit (Promega, Madison). The assay is run in three steps: the enzymatic reaction in which human rec ACSS2 activates acetate with ATP and Coenzyme A as cosubstrates to acetyI-coA thereby releasing AMP and the detection reaction of AMP by AMP Glo assay in which after the destruction of the residual ATP with AMP Glo reagent 1 produced AMP is converted to ATP that is measured in a luciferase assay system (detection reagent). The ACSS2 activity correlates with the detected luminescence signal. The assay was performed in Perkin Elmer 384well white Proxiplates in a total volume of 8 µl. 1 nM (fc) C-term myc tagged ACSS2 (human, recombinant, Origene, Rockville, US) and a mixture of 100 µM (fc) ATP, 100 µM (fc) Coenzyme A and 500 µM (fc) sodium acetate were incubated in a total volume of 5 µl (50 mM Hepes, 1 mM Mg-chloride, 150 mM NaCl, 1 mM DTT, 0.01 % (w/v) BSA, 0.3 % DMSO, pH 7.5) in the absence or presence of the test compound (10 dilution concentrations, start conc 30 µM) for 180 min at 37° C. The reaction was stopped and residual ATP destroyed by the addition of 1 µl AMP Glo reagent solution (Promega, Madison, US). After 1 h incubation at room temperature 2 µl of AMP Glo detection reagent was added and the assay was incubated for 0.75 hr at room temperature. The luminescence signal was measured with an Envision multimode reader (Perkin Elmer LAS Germany GmbH) at 700 nm in luminescence mode. The full value used was the inhibitor-free reaction. The pharmacological zero value was generated by addition of ACSS2 inhibitor (Ac-CoA Synthase Inhibitor - CAS 508186-14-9 -Calbiochem) in a final concentration of 5 µM. The inhibitory values (IC50) were determined using the program Assay Analyzer from GeneData.
9469	1	ARM-SAM-TIR IC50 Assay	The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco&#39;s PBS buffer in a final assay volume of 20 &#956;L. ARM-SAM-TIR lysate with a final concentration of 5 &#956;g/mL was pre-incubated with the respective compound at 1% DMSO final assay concentration over 2 h at room temperature. The reaction was initiated by addition of 5 &#956;M final assay concentration of NAD+ as substrate. After a 2 hr room temperature incubation, the reaction was terminated with 40 &#956;L of stop solution of 7.5% trichloroactetic acid in acetonitrile. The NAD+ and ADPR concentrations were analyzed by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, Calif.) using an API4000 triple quadrupole mass spectrometer (AB Sciex Framingham, Mass.).
9491	1	AKT Kinase Inhibiting Activity	Envision model plate reader (Molecular Devices)White 384-well plate (Thermo, Art. No. #264706)Main reagents included in an HTRF kinEASE TK kit (Cisbio, Art. No. #62TKOPEC)TK-biotin substrateStreptavidin-XL665Europium-labeled tyrosine kinase substrate antibody5× enzyme reaction bufferSEBHTRF assay bufferAKT1 (Cama, Art. No. #01-101)AKT2 (Cama, Art. No. #01-102)AKT3 (Invitrogen, Art. No. #PV3185)10 mM ATP (Invitrogen, Art. No. #PV3227)1 M DTT (Sigma, Art. No. #D5545)1 M MgCl2 (Sigma, Art. No. #M8266).
11044	1	Solid Phase Integrin alphaVbeta6 Binding Assay	Microplates were coated with recombinant human integrin &#945;V&#946;6 (2 &#956;g/mL) in PBS (100 &#956;L/well 25° C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1×TBS). The plate was blocked with 200 &#956;L/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1×TBS) at 37° C. for 2 h. Dilutions of testing compounds and recombinant TGF&#946;1 LAP (0.67 &#956;g/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1×TBS) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
11230	1	ATR Inhibition Assay	Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 &#956;M [y-33P]ATP (3mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 &#956;M target.
11427	1	Adenosine Receptor Binding Assay	Inhibition binding assays were performed using 0.2 µg of membranes prepared from HEK293 cells infected with BacMam human adenosine A2A receptor or 1.4 µg of membranes prepared from HEK293 cells infected with BacMam human adenosine A1 receptor. Membranes were incubated in 50 mM Tris-HCl (HEK293-hA2A; pH 7.4) or 50 mM Tris-HCl, 100 mM NaCl, 10 mM MgCl2 (CHO-hA1; pH 7.4) in the presence of varying concentrations of test compound and 1 nM [3H]ZM241385 (HEK293-hA2A) or [3H]DPCPX (CHO-hA1) at 25° C. for 1 h. The assay was then terminated by rapid filtration onto GF/B grade Unifilter plates using a TomTec cell harvester, followed by 5 × 0.5 ml washes with ddH2O. Nonspecific binding was defined in the presence of 1 µM CGS 15943 (HEK293-hA2A) or 1 µM DPCPX (CHO-hA1). Bound radioactivity was determined by liquid scintillation counting and inhibition curves were analysed using a four-parameter logistic equation. IC50 values were converted to Ki values with the Cheng-Prusoff equation using a KD value derived from saturation binding studies.
11427	2	CB-1 Receptor Binding Assay	Receptor binding: Evaluation of the affinity of compounds for the agonist site of the human CB-1 cannabinoid receptor in transfected CHO cells determined in a radioligand binding assay: Cell membrane homogenates (20 µg protein) are incubated for 120 min at 37° C. with 0.5 nM [3H]CP 55940 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 2.5 mM EDTA and 0.3% BSA. Nonspecific binding is determined in the presence of 10 µM WIN 55212-2.
11428	1	Isothermal Titration Calorimetry (ITC) Measurements	All calorimetric experiments were carried out using an Affinity ITC from TA Instruments (New Castle, Del.) equipped with an auto sampler in a buffer containing 20 mM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM TCEP, and 2% DMSO at 25° C. 20 &#956;M protein solution containing PRPK or Cereblon (CRBN) in the calorimetric cell was titrated with 200 &#956;M of a test compound solution using 2 &#956;L injection in 200 seconds intervals using a stirring speed at 125 rpm. Resulting isotherm was fitted with a single site model to yield thermodynamic parameters of &#916;H, &#916;S, stoichiometry, and Kd using NanoAnalyze software (TA instruments).
11429	1	Assay of ATR Kinase Activity	Biotinylated protein derived from p53 (Eurofins, art. No.: 14-952) was phosphorylated with ATR kinase. The amount of phosphorylated protein was determined by time-resolved fluorescence in this assay. The amount of phosphorylated protein was detected by anti-p53-phospho-(serine 15)-K-specific antibody (Cisbio, art. No.: 61GSTDLA) and d2 labeled anti-GST antibody (Cisbio, art. No. 61P08KAE). Before the assay, the following working solutions were formulated as required: 1×reaction buffer (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35), dilution buffer (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35, 5 mM DTT and 1% BSA), stop solution (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35, 250 mM EDTA), detection buffer (50 mM HEPES pH7.0, 150 mM NaCl, 267 mM KF, 0.1% sodium cholate, 0.01% Tween-20, 0.0125% sodium azide). The reagents used above were purchased from Sigma or Invitrogen, except for those whose manufacturers were mentioned.
11430	1	Binding Assay	For total binding, a total volume of 50 ul of appropriately diluted membranes (diluted in assay buffer containing 50 mM Tris HCl (pH 7.4), 10 mM MgCl2, and 1 mM EDTA; 5-50 &#956;g protein) is added to 96-well polyproylene microtiter plates followed by addition of 100 &#956;l of assay buffer and 50 &#956;l of Radiolabelled 5-HT2A Ligand. For nonspecific binding, 50 &#956;l of assay buffer is added instead of 100 &#956;l and an additional 50 &#956;l of 10 &#956;M cold 5-HT2A is added before 50 &#956;l of Radiolabelled 5-HT2A Ligand is added. Plates are then incubated at room temperature for 60-120 minutes. The binding reaction is terminated by filtering assay plates through a Microplate Devices GF/C Unifilter filtration plate with a Brandell 96-well plate harvester followed by washing with cold 50 mM Tris HCl, pH 7.4 containing 0.9% NaCl. Then, the bottom of the filtration plate are sealed, 50 &#956;l of Optiphase Supermix is added to each well, the top of the plates are sealed, and plates are counted in a Trilux MicroBeta scintillation counter. For compound competition studies, instead of adding 100 &#956;l of assay buffer, 100 &#956;l of appropriately diluted test compound is added to appropriate wells followed by addition of 50 &#956;l of Radiolabelled 5-HT2A Ligand.
11431	1	Gal4 Ligand Binding Assay	Human ROR&#947; ligand binding assay was performed in 96-well format. The N-terminal DNA binding domains (DBD) of the native ROR&#947; and ROR&#947;t receptors have been substituted with that of the yeast GAL4-DBD and ROR&#947; is expressed constitutively in the cell line. Both agonist and inverse agonist activity can be detected. 10 mM compound stocks were diluted serially 1:3 with DMSO and further diluted with provided media to generate 10 titration points from 60 &#956;M to 3 nM. These treatment conditions were added to the plates as 2× media in 100 &#956;L volume. Each plate includes a positive control with 10 titration points as well as 6 negative control wells with vehicle only. Reporter cells were rapidly thawed and added to the plates in 100 &#956;L volume. The plates were incubated for 24 hrs in a 37° C. humidified 5% CO2 incubator. Media was removed before the addition of room temperature Detection Substrate. After 5 minute incubation, the luminescence was quantified on a luminescence plate reader.
11432	1	Biochemical Assay	The biochemical activity IC50 values are determined with respect to inhibition of B-Raf V600E kinase activity or p-Erk kinase activity, where inhibition of phosphorylation of a peptide substrate is measured as a function of compound concentration. Compounds to be tested are diluted in dimethyl sulfoxide to a concentration of 0.1 mM. These are serially diluted 15 &#956;L into 30 &#956;L of dimethyl sulfoxide seven times in 96 well plates for a total of 8 dilution points, and for each dilution point 1 &#956;L is added to a well of an assay plate. Plates are prepared such that each well in a 384 well plate contains 1 &#956;L of compound in 10 &#956;L volume with 0.1 ng Raf enzyme (i.e. any of B-Raf, c-Raf-1 or B-Raf V600E, Upstate Biotechnology or prepared by methods known to one of skill in the art), 50 mM HEPES, pH 7.0, 50 mM NaCl, 2 mM MgCl2, 1 mM MnCl2, 0.01% Tween-20, 1 mM DTT, and 100 nM biotin-MEK1 as substrate. The reaction is started with addition of 10 &#956;L of 200 &#956;M ATP (i.e. final 100 &#956;M ATP). After incubation of the kinase reaction for 45 minutes at room temperature, 5 &#956;L/well of Stop Solution is added (25 mM Hepes pH 7.5, 100 mM EDTA, 0.01% BSA with donor beads (Streptavidin coated beads, Perkin Elmer), acceptor beads (Protein A coated, Perkin Elmer), and anti phosphor MEK1/2 antibody (CellSignal), each at final concentration 10 &#956;g/mL). The plates are incubated for 3 hours at room temperature and read on Envision reader (Perkin Elmer). Phosphorylation of Mek1 results in binding of the anti-phosphor-MEK1/2antibody and association of the donor and acceptor beads such that signal correlates with kinase activity. The signal vs. compound concentration is used to determine the IC50.
11433	1	ENPP1 Activity Assay (TMP-pNP)	ENPP1 activity assay using thymidine monophosphate paranitrophenol (TMP-pNP) as a substrate. Enzyme reactions were prepared with TMP-pNP (2 &#956;M), 5-fold dilutions of ENPP1 inhibitor, and purified recombinant mouse ENPP1 (0.5 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature. Reaction progress was monitored by measuring absorbance at 400 nm of paranitrophenolate produced by the reaction for 20 minutes. Slopes of product formation were extracted, plotted, and fit to obtain IC50 values with Graphpad Prism 7.03. Compounds were also assessed in an ENPP1 enzyme activity assay using 32P cGAMP as a substrate. Radiolabeled 32P cGAMP was synthesized by incubating unlabeled ATP (1 mM) and GTP (1 mM) doped with 32P-ATP with 2 &#956;M purified recombinant porcine cGAS in 20 mM Tris pH 7.5, 2 mM MgCl2, 100 &#956;g/mL herring testes DNA overnight at room temperature, and the remaining nucleotide starting materials were degraded with alkaline phosphatase for 4 h at 37° C. The probe 32P-cGAMP (5 &#956;M) was incubated with purified recombinant mouse ENPP1 (20 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature for 5 hours. To generate enzyme inhibition curves, 5-fold dilutions of ENPP1 inhibitor were included in the reaction.
11433	2	ENPP1 Activity Assay (32P cGAMP))	Radiolabeled 32P cGAMP was synthesized by incubating unlabeled ATP (1 mM) and GTP (1 mM) doped with 32P-ATP with 2 &#956;M purified recombinant porcine cGAS in 20 mM Tris pH 7.5, 2 mM MgCl2, 100 &#956;g/mL herring testes DNA overnight at room temperature, and the remaining nucleotide starting materials were degraded with alkaline phosphatase for 4 h at 37° C. The probe 32P-cGAMP (5 &#956;M) was incubated with purified recombinant mouse ENPP1 (20 nM) in 100 mM Tris, 150 mM NaCl, 2 mM CaCl2, 200 &#956;M ZnCl2, pH 7.5 at room temperature for 5 hours. To generate enzyme inhibition curves, 5-fold dilutions of ENPP1 inhibitor were included in the reaction. Degradation was evaluated by TLC (as described by Li et al. Nat. Chem. Biol. (2014) 10:1043-8). Plates were exposed on a phosphor screen (Molecular Dynamics) and imaged on a Typhoon 9400 and the 32P signal was quantified using ImageJ. Inhibition curves were fit to obtain IC50 values using Graphpad Prism 7.03.
11434	1	Fluorescence Assay for Recombinant Human (RH) DPP1	The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), which leads to an increase in fluorescence intensity at &#955;ex =350 nm and &#955;em =450 nm. The assay was carried out in black 384 well plates in a final volume of 10 µl at rt. The assay conditions contained the following: 25 mM piperazine buffer pH 5.0; 50 mM NaCl, 5 mM DTT; 0.005 (v/v) Triton X-100; 50 µM H-Gly-Arg-AMC and 96.4 pM rhDPP1 Potential inhibitors were diluted in DMSO to generate 100 × of the final assay concentration. The compounds were tested at 10 concentrations with half-log dilution steps (highest concentration typically 1 µM) and with a final DMSO concentration of 1% (v/v). Routinely, inhibitors were pre-incubated with rhDPP1 for 30 min prior to the addition of the peptide substrate to start the reaction for a further 30 min. After incubation the plates were read in a fluorescence plate reader using the above emission and excitation wavelengths. 
13310	1	STAT6 Assay	HTRF binding assays were perfonned using 0.15 nM biotinylated truncated STAT6 (123-632)-avi purified from E.coli, IX Streptavidin-terbium (CisBio) prepared by mixing SA-Tb in PPI detection buffer (CisBio), 20 nM proprietary fluorescein-labeled probe, and test compounds in assay buffer consisting of 50 rnM HEPES-Na pH 7.5, 100 mM NaCl, 1 mM EDTA, 2 mM DTT, 0.1% Tween-20 with a final volume of 20 uL. Compound stocks were dissolved at 10 mM in 100% DMSO and 11 point titration with 3 fold serial dilution was perfonned in white, opaque 384 well microplates. Reaction plates were incubated at room temperature for 30 minutes. Plates were centrifuged at low rpm for 5 mins, and the ratio of fluorescence intensities were measured at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (495 nm) on Envision Plate reader. % Inhibition was calculated from the 520/495 ratio generated by using proprietary positive control compound for 100% inhibition and DMSO only reactions for 0% inhibition. Data was processed and dose response curves were generated using GraphPad Prism to determine the concentration required for inhibiting 50% of the HTRF signal (IC50).
13311	1	KRAS(GMPPNP)-RAF1 HTRF Binding Assay	The test compounds were prepared as lOmM stock solution in 100% DMSO. The stock solution was then serially diluted 3 -fold in 100% DMSO to 10 concentrations. 200nL of each diluted compound solution was transferred to 384-well plate in duplicate. To each well, 10 pL of enzyme solution containing Biotin-KRAS G12D or WT protein with final concentration of 5 nM or 2 nM in the assay buffer (50mM HEPES, pH7.5, 50mM NaCl, 5mM MgCl2, ImM DTT, 0.1% BSA, 0.01% Triton X-100), respectively. For negative control, 10 pL of assay buffer was added instead. The plate was incubated at room temperature for 20 min. 5 pL of GST-RAF1 (final concentration at 8 nM) was subsequently added to each well. Then 5 pL of lx anti-GST-XL665 and lx Streptavidin-Tb were added for detection. After one-hour incubation at room temperature, all samples were subjected to read the TR-FRET signal on Envision with excitation at 340nm and emission fluorescence at 615 nm and 665 nm. IC50 values were then calculated by plotting dose-response curves and then using the XLfit application in Excel software.
13312	1	SARM1 Inhibitory Activity	Enzymatic reactions were ran in a 10µL volume consisting of 8nM human SARM1 (aa28-724), 100µM Nicotinamide (NMN) and 30µM Nicotinamide Adenine Dinculeotide (NAD). Assay reagents were prepared in 25mM HEPES pH 7.2, 50mM NaCl, 1mM EDTA and 0.0025% Tween20. To determine compound IC50’s, reactions were incubated for 60minutes at room temperature in the presence of a 12-point concentration response curve of compound (starting concentration 100µM; 1 in 3 dilution between each point; 2% DMSO) and then quenched with 40µL of 0.125% Formic Acid. The peak area of NAD and linear ADPR were measured by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, CA) using an API5000 triple quadrupole mass spectrometer (AB Sciex Framingham, MA). The ratio of linear ADPR to NAD peak area was then plotted against compound concentration to obtain an IC50 as fitted via non-linear regression.
11436	1	Radiometric Kinase Assay	All kinase assays were performed as previously described5 at &#8722;4° C. in a final volume of 18 &#956;L, containing 2 &#956;L of compounds according to the invention diluted in Tris-HCl-glycerol, 0.05% Tween, 3 &#956;L of CK2a (36 ng) and a mixture of 1 mM peptide substrate, 10 mM MgCl2 and 1 &#956;Ci [&#947;32P]-ATP. Final concentration of ATP was 10 &#956;M if not stated otherwise. Assays were performed under linear kinetic conditions for 5 min at room temperature before termination by the addition of 60 &#956;L of 4% TCA. 32P incorporation in peptide substrate was determined by spotting the supernatant onto phospho-cellulose paper disks (Whatman P81,4 cm2). The disks were washed three times in cold 0.5% phosphoric acid, 5 minutes on a rocking platform per wash then dried and their radioactivity was measured. Percentage inhibition was calculated relative to a DMSO control and IC50 or Ki values were calculated using test GraphPad Prism 8.The peptide substrates employed for different assays were a canonical CK2 peptide substrate Seq. ID No. 1: RRREDEESDDEE, phosphorylated equally by CK2a subunit and CK2 holoenzyme (CK2(3-independent peptide substrate), and Seq. ID No. 2: MSGDEMIFDPTMSKKKKKKKKP exclusively phosphorylated by CK2 holoenzyme (CK2(3-dependent peptide substrate).6GST-SIX1 phosphorylation assay was performed following the CK2 radiometric kinase assay. CK2&#945; (200 nM) was incubated with increasing concentrations of CK20 in the absence or presence of AB668 followed by the addition of GST-SIX1 (3.7 &#956;g), 10 mM MgCl2 and 1 &#956;Ci [&#947;32P]-ATP. Final concentration of ATP was 100 &#956;M. Samples were analyzed by SDS PAGE and subjected to autoradiography. Phosphoproteins were quantified by densitometry scanning.
11437	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	Assays were performed in standard black 384-well polystyrene plates and a final volume was 20 &#956;L. The inhibitor was first serially diluted with DMSO and added to the wells of the plate, followed by the addition of other reaction components. The final concentration of DMSO in the assay was 1%. Assays were performed at 25° C. in PBS buffer (pH 7.4) containing 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tagged at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with an Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). The PD-L1 and PD-1 proteins were diluted in assay buffer and then 0.1 &#956;l of the solution was extracted and added to the wells of the plate. Plates were centrifuged and proteins and inhibitors were preincubated for 40 minutes. After incubation, 0.1 &#956;l of HTRF detection buffer containing europium blocking labeled anti-human IgG (PerkinElmer-AD0212), Fc-specific and anti-His SureLight@-Allophycocyanin (APC, PerkinElmer-AD0059H) conjugated antibodies was added. After centrifugation, the plates were incubated at 25° C. for 60 minutes. Data was read in a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were 3 nM of PD1, 10 nM of PD-L1, 1 nM of europium anti-human IgG, and 20 nM of anti-His-allophycocyanin. Activity data were fitted using GraphPad Prism 5.0 software to derive IC50 values for inhibitors.
11438	1	AlphaScreen assay	The standard experimental protocol for YKL-40 indirect binding AlphaScreen assay comprised of 5 step additions to wells of a 96 well plate: (i) in the 1 step, 8 uL of biotinylated compound 4 was added at 5×20 nM concentration in MST buffer containing 1% DMSO; (ii) in the 2nd step, 8 uL of a small molecule compound inhibitor was added at 5×1 uM or 5×100 uM concentration in MST buffer containing 2% DMSO; (iii) in the 3rd step, 8 uL of YKL-40-histag was added at concentration 5×2.5 nM in MST buffer containing 0% DMSO, after which the plate was spun down for 2 minutes at 1500 g and incubated 1 h at 37° C.; (iv) in the 4th step, 8 uL of Nickel Chelate Acceptor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT; (v) in the 5th step, 8 uL of Streptavidin Donor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT. Positive and negative control wells received just 8 uL of MST buffer containing 2% DMSO without inhibitor in the 2nd step (ii). In addition, negative control received just 8 uL of MST buffer containing 0% DMSO without YKL-40-histag in the 3rd step (iii). Finally, the plate luminescence was excited at 680 nm and the emission read at 520-620 nm using the AlphaScreen module in the The Spark&#153; 10 M multimode microplate reader (Tecan Trading AG, M nnedorf, Switzerland). Inhibition percentage and IC50 values were determined using GraphPad Prism 7.0 software (GraphPad Software, San Diego, Calif., USA).
11438	2	YKL-40: HS Assay	The standard experimental protocol for YKL-40 indirect binding AlphaScreen assay comprised of 5 step additions to wells of a 96 well plate: (i) in the 1 step, 8 uL of biotinylated heparan sulphate was added at 5×60 nM concentration in MST buffer containing 1% DMSO; (ii) in the 2nd step, 8 uL of a small molecule compound inhibitor was added at 5×1 uM or 5×100 uM concentration in MST buffer containing 2% DMSO; (iii) in the 3rd step, 8 uL of YKL-40-histag was added at concentration 5×7.5 nM in MST buffer containing 0% DMSO, after which the plate was spun down for 2 minutes at 1500 g and incubated 1 h at 37° C.; (iv) in the 4th step, 8 uL of Nickel Chelate Acceptor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT; (v) in the 5th step, 8 uL of Streptavidin Donor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT. Positive and negative control wells received just 8 uL of MST buffer containing 2% DMSO without inhibitor in the 2nd step (ii). In addition, negative control received just 8 uL of MST buffer containing 0% DMSO without YKL-40-histag in the 3nd step (iii). Finally, the plate luminescence was excited at 680 nm and the emission read at 520-620 nm using the AlphaScreen module in the The Spark 10 M multimode microplate reader (Tecan Trading AG, M nnedorf, Switzerland). Inhibition percentage and IC50 values were determined using GraphPad Prism 7.0 software (GraphPad Software, San Diego, Calif., USA).
11439	1	PARG Enzyme Inhibition Assay	PARG in vitro assays were conducted in standard 384-well plates in a total volume of 15 &#956;L. 5 &#956;L of PARG (389-976) (manufactured by Chempartner Chemical Co., Ltd.) in buffer (50 mM Tris-HCL 7.5, 30 mM KCl, 1 mM EDTA, 3 mM DTT, tween-20 0.01%, BSA 0.025%) was added at a final concentration of 1.5 pM to the 384-well plates containing the compounds to be tested, which was incubated for 30 min at room temperature. To the above mixture was added 5 &#956;L Bio PARylated His-TEV-PARP1 (2-1014) substrate (manufactured by Chempartner Chemical Co., Ltd.) at a final concentration of 12 nM, after addition, the resulting mixture was incubated for 30 minutes at room temperature. Then to the mixture was added detection reagent (5 &#956;L) which was buffered with 50 mM Tris-HCL 7.5, 30 mM KCl, 1 mM EDTA, 3 mM DTT, tween-20 0.01%, BSA 0.025%, and consisted of 3 pM of compound PDD00017273 and 9 nM Mab anti-6HIS XL665 (Cisbio: 61HISXLA) and 0.9 nM streptavidin affinity terbium cryptate (Cisbio: 610SATLA), all at 3× working concentrations (final concentrations of 1 pM, 3 nM and 0.3 nM, respectively). After 120 min incubation in the dark at room temperature, TR-FRET signals were measured at Ex 340 and Em 665 and Em 615. The ratio for each well was calculated as Em 665/Em 615 and the compound inhibition rate was calculated based on the obtained data.
11440	1	hERG Channel Inhibition Assay	The hERG channel inhibition assay is a highly sensitive measurement that identifies compounds exhibiting hERG inhibition related to cardiotoxicity in vivo. The hERG K+ channels were cloned in humans and stably expressed in a CHO (Chinese hamster ovary) cell line. CHOhERG cells were used for patch-clamp (voltage-clamp, whole-cell) experiments. Cells were stimulated by a voltage pattern to activate hERG channels and conduct IKhERG currents (rapid delayed outward rectifier potassium current of the hERG channel). After the cells were stabilized for a few minutes, the amplitude and kinetics of IKhERG were recorded at a stimulation frequency of 0.1 Hz (6 bpm). Thereafter, the test compound was added to the preparation at increasing concentrations. For each concentration, an attempt was made to reach a steady-state effect, usually, this was achieved within 3-10 min at which time the next highest concentration was applied. The amplitude and kinetics of IKhERG are recorded in each concentration of the drug which were compared to the control values (taken as 100%).
11441	1	PTGR2 Inhibiting Activity Assay	Exemplary compounds thus prepared were evaluated for their efficacy in inhibiting PTGR2. In vitro enzyme activity was measured to determine the half maximal inhibitory concentration (IC50) of compounds of this invention as PTGR2 inhibitors. The reduction of 15-keto-PGE2 by PTGR2 requires NADPH. The decrease of NADPH during the reduction reaction indicates inhibition of PTGR2 and thus is used to calculate the IC50 of a PTGR2 inhibitor. Human PTGR2 recombinant protein was mixed with a PTGR2 inhibitor (i.e., a compound of this invention) in a potassium phosphate buffer having a final concentration of 30 mM and a pH value of 7.3. The resultant mixture was pre-incubated at room temperature for 15 minutes. After the incubation, 15-keto-PGE2 was added to a final concentration of 20 &#956;M, together with NADPH (20 &#956;M, final concentration) and a Glo-NADPH reagent (commercially available from Promega Corporation, Madison, Wis.). After incubating at room temperature for 30 minutes, the signal by luminometer was recorded and used to calculate the IC50 value of a PTGR2 inhibitor
11442	1	CARM1 Enzyme Assay	The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a polypropylene 384-well V-bottom plates (Greiner) using a Platemate Plus outfitted with a 384-channel head (Thermo Scientific). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of CARM1, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the CARM1 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with CARM1 for 30 min at room temperature, then a cocktail (10 ul) containing 3H-SAM and peptide was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: CARM1 was 0.25 nM, 3H-SAM was 30 nM, peptide was 250 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 300 uM, which dilutes the 3H-SAM to a level where its incorporation into the peptide substrate is no longer detectable. 50 ul of the reaction in the 384-well polypropylene plate was then transferred to a 384-well Flashplate and the biotinylated peptides were allowed to bind to the streptavidin surface for at least 1 hour before being washed once with 0.1% Tween20 in a Biotek ELx405 plate washer. 
11443	1	Fluorescence Polarization (FP) Assay	Measuring compound ligand binding to CRBN-DDB1 was carried out using an established sensitive and quantitative in vitro fluorescence polarization (FP) based binding assay. (See, I. J. Enyedy et al, J. Med. Chem., 44: 313-4324, 2001). Compounds were dispensed from serially diluted DMSO stock into black 384-well compatible fluorescence polarization plates using an Echo acoustic dispenser. Compound binding to CRBN-DDB1 was measured by displacement of either a (&#8722;)-Thalidomide-Alexa Fluor or Pomalidomide-fluorescein conjugated probe dye. A 20 &#956;L mixture containing 400 nM CRBN-DDB1 and 5 nM probe dye in 50 mM Hepes, pH 7.4, 200 mM NaCl, 1% DMSO and 0.05% pluronic acid-127 acid was added to wells containing compound and incubated at room temperature for 60 min. Matching control wells excluding CRBN-DDB1 were used to correct for background fluorescence. Plates were read on an Envision plate reader with appropriate FP filter sets. The corrected S (perpendicular) and P (parallel) values were used to calculate fluorescence polarization (FP) with the following equation:FP=1000*(S&#8722;G*P)/(S+G*P).
11444	1	Kinase Activity Test Assay	The effect of the disclosed compounds as protein kinase inhibitors can be evaluated by the following experiments. The AXL (h) kinase activity of the compounds of the invention is tested by the following methods:Reagents used in the experiment were AXL (Carna Bioscience, Cat No.: 08-107) and FLPeptide30 (PerkinElmer, Cat No.: 760430). The instruments involved were thermotank (Thermo Scientific), oscillator (QILINBEIER), EZ Reader (PerkinElmer, Cat No.: 122919), Non-contact stage pipetting system (Labcyte Inc., Cat No.: Echo 550), and non-contact nanoliter pipetting system (TECAN, Cat No.: EVO200).Experimental Method[0298]Compound dilution: 1) Dissolve the compound in DMSO to the appropriate concentration; 2) Using TECAN EVO200 to dilute 10 concentrations in 384 microplates by three times gradient, the highest concentration is 1 mM; Echo550 was used to transfer 20 nL solution from the dilution plate to the test plate.Experimental Method of Kinase 1) Prepare solution 1, as shown in Table C below:TABLE CReagent Solution 1MgCl2 10mMBrij-35 0.050%DTT 2mMBSA 0.05%EGTA 1mMHEPE (pH 7.5)50mM AXL 1.333nM 2) Add 15 &#956;L solution 1 to each well of the test plate and incubate at room temperature for 30 minutes.[0301]3) Prepare solution 2, as shown in Table D below:TABLE DReagent Solution 2MgCl2 10mMBrij-35 0.050%DTT 2mMBSA 0.05%EGTA 1mMHEPE (pH 7.5) 50mMFLPeptide 6 &#956;MATP 400&#956;M[0302]4) Add 5&#956;L solution 2 to start the reaction, and the final volume of each well is 20 &#956;L. The composition of the system is shown in Table E below:TABLE E Reagent Final concentration MgCl2 10mMBrij-35 0.050%DTT 2mMBSA 0.05%EGTA 1mMHEPE (pH 7.5) 50mMFLPeptide 1.5&#956;MATP 100 &#956;MAXL 1nM[0303]5) Incubated at 25° C. for 90 min, and then added 75 &#956;L stop solution (containing 0.5 M EDTA) to terminate the reaction.[0304]6) The sample of each well was analyzed using EZ reader.
11445	2	KRas G12D Surface Plasmon Resonance (SPR) Binding Assay	Briefly, 1L of 1.05X HBS-Mg buffer (262.5 mM Bioultra Hepes, pH 7.5, 157.5 mM NaCl, 105 mM MgCl2, 0.525 mM TCEP, 0.0305% Brij-35) was prepared and filter sterilized using a 0.22 m bottle top filter. Approximately 50 mL of 1.05X HBS-Mg buffer was removed and saved for future dilutions. A 50 mL aliquot of DMSO (Sigma Aldrich DMSO Lot. #SHBK2079) was added and continued to stir for 10 minutes, creating the final 1.0X HBS-Mg buffer (250 mM Bioultra Hepes pH 7.5, 150 mM NaCl, 100 mM MgCl2, 0.5 mM TCEP, 0.03% Brij-35). Biacore T200 instrument was primed using 1.0X HBS-Mg buffer before docking a GE Streptavidin (SA) chip and then primed two additional times prior to beginning the immobilization step. All immobilized protein mixtures were created using 3-5 mg/mL Biotinylated Avidin-tagged KRAS protein using the following immobilization settings: SA chip type, 1 flow cells per cycle, 720 second contact time, and 5 ul/min flow rate. Normalization of the detector was also performed during the immobilization step using the GE BiaNormalize solution. All compounds were diluted to 10 mM in 100% DMSO prior to being diluted 20X in 1.05X buffer. Another 10X dilution was created using 1.0X buffer prior to performing a series of 3X dilutions to create a compound concentration curve using the following assay settings: 20C analysis temperature, General Settings=10 Hz data collection rate and multi-detection; Assay Steps=all set to LMW kinetics; Cycle Types=LMW kinetics (60 s contact time, 120 s dissociation time, 100 ul/min flow rate, extra wash after injection with 50% DMSO, flow path 1,2,3,4); Flow path detection=2-1, 4-3).
11445	1	Inhibition of KRas G12D-mediated Phosphorylation of ERK	This Example illustrates that exemplary compounds of the present invention inhibit the phosphorylation of ERK downstream of KRAS G12D. AGS cells (ATCC CRL-1739) expressing G12D were grown in DMEM medium supplemented with 10% fetal bovine serum, 10 mM HEPES, and Penicillin/Streptomycin. Cells were plated in tissue culture treated 96 well plates at a density of 40,000 cells/well and allowed to attach for 12-14 hours. Diluted compounds were then added in a final concentration of 0.5% DMSO. After 3 hours, the medium was removed, 150 &#956;L of 4.0% formaldehyde was added and the plates incubated at room temperature for 20 minutes. The plates were washed with PBS, and permeabilized with 150 &#956;L of ice cold 100% methanol for 10 minutes. Non-specific antibody binding to the plates was blocked using 100 L Licor blocking buffer (Li-Cor Biotechnology, Lincoln Nebr.) for 1 hour at room temperature. The amount of phospho-ERK was determined using an antibody specific for the phosphorylated form of ERK and compared to the amount of GAPDH. Primary antibodies used for the detection were added as follos: Phospho-ERK(Cell Signaling cs-9101) diluted 1:500 and GAPDH(Millipore MAB374) diluted 1:5000 in Licor block+0.05% Tween 20. The plates were incubated for 2 hours at room temperature. The plates were washed with PBS+0.05% Tween 20. Secondary antibodies used to visualize primary antibodies were added as follows: Anti-rabbit-680 diluted 1:1000 and Anti-mouse-800 diluted 1:1000 both in Licor block+0.05% TweeN20, and were incubated for 1 hour at room temperature. The plates were washed with PBS +0.05% Tween 20. A 100 &#956;L aliquot of PBS was added to each well and the plates were read on a Li-Cor Odyssey CLX plate reader.
11446	1	ITK Enzyme Assay	ITK activity was determined by measuring the effect of a test compound in an ITK enzyme assay. 1.0 M HEPES Buffer pH 7.5 solution was prepared as follows: 238.3 g HEPES free acid (Sigma) and 800 mL of water were combined, and the mixture was stirred until complete dissolution. The pH was adjusted to 7.5 via titration with 5N NaOH and the volume adjusted to 1000 mL. The solution was filtered and sterilized. ITK assay buffer was prepared as follows: 50 mL of HPLC-grade water was treated with 2 mL of 1.0 M HEPES Buffer, 500 &#956;L of 2% Gelatin (Sigma), 1.0 mL of aqueous MgCl2 solution (1.0 M), and 1.0 mL of aqueous glutathione solution (0.5 M), and the solution was mixed. The solution was brought to 99 mL in a graduated cylinder by addition of water and sterilized through a 0.2 &#956;m filter. 0.1 mL of Brij-35&#153; Surfact-Amps Detergent Solution (10% w/v aqueous solution, ThermoFisher) and 1.0 mL of ATP (Teknova, 100 mM) were added and the solution was mixed. Preparation of 1.33×ITK enzyme solution was as follows: 49.99 mL of ITK assay buffer was treated with 4.1 &#956;L of ITK enzyme (ITK FL (N-Flag and C-His tagged, 72 kDa) Lake Pharma, 0.25 mg/ml in a buffer containing 25 mM Tris pH 7.8, 150 mM NaCl, 10% glycerol and 2 mM TCEP) and the mixture was gently agitated. The resulting solution was stored on ice. 30 Minutes prior to use, the enzyme solution was removed from ice and equilibrated to RT by incubation in a RT water bath. Preparation of 4×ITK substrate solution was as follows: 50 mL of ITK assay buffer was treated with 100 &#956;L of BTK peptide (China Peptide Company, 2 mM stock solution in DMSO). The tube was capped, mixed by gently inverting the tube, and then stored on ice. 30 Minutes prior to use, the substrate solution was removed from ice and equilibrated to RT by incubation in a RT water bath. At the time of assay, 7.5 &#956;L of the 1.33×ITK enzyme solution was added to plate wells containing 0.1 &#956;L of varying concentrations of test compound in DMSO. The plate was incubated 30 min at RT. The plate wells were each treated with 2.5 uL of the 4×ITK substrate solution and the plate was sealed (TopSeal, Perkin Elmer). The plate was spun at 1000 rpm for 30 sec and then incubated for 60 min at RT. The seal was removed, and each well was treated with 10 &#956;L of Stop/Detect Buffer (20 mM HEPES pH 7.5, 0.01% gelatin, 1 nM LANCE PT66 (Perkin Elmer), 16.5 &#956;g/ml Surelight APC (Perkin Elmer), 10 mM EDTA, 250 mM NaCl). The plate was again covered and was spun at 1000 rpm for 30 seconds. The plate was allowed to incubate overnight at RT and in a closed carrier to reduce dehydration. The seal was removed, and the fluorescence was read with a plate reader with an excitation wavelength of 665 nm and an emission wavelength of 615 nm. The concentrations and resulting effect values for the tested compound were plotted and the concentration of compound required for 50% effect (IC50) was determined with the four-parameter logistic dose response equation.
11435	1	Estrone Detection Assay for Evaluation of HSD17I313 Activity	Reactions were terminated by the addition of two volumes of acetonitrile (MeCN; LCMS grade; CAS #75/05/8) containing deuterated (D4)-E1 used as internal standard (Clear Synth; #CS-T-54273; 500 ng/mL final concentration). Samples were applied to pre-prepared Bond Elut-C18 extraction cartridges (3 mL; Agilent; Ser. No. 12/102,028), washed and eluted in MeCN. Eluates were dried under nitrogen and re-suspended in 60% methanol (LCMS grade methanol; CAS #67/56/1) before submission for analysis. Aqueous linearity for E2 and E1 were included for quantification.[0357]Analysis of samples was undertaken on a XBridge BEH C18 column (Waters; #186003033) using 0.1% Diethyl Amine in MeCN (mobile phase A; DEA CAS #109-89-7) and 0.1% Diethyl Amine in milli-Q water (mobile phase B) in a 3 min gradient allowing 25% B. Analytes were detected in negative mode using MRM analysis, with E2 having a RT of 1.85 min and E1 having a RT of 2 min.
11447	1	Inhibition of LDHB Activity	This example describes a human LDHB biochemical assay employed in the characterization of a compound of Formula I in an embodiment of the dislcosure.Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 mM Tris HCl, pH 7.4, 100 &#956;M EDTA and 0.01% TWEEN-20 , final concentration, was used as the assay buffer. The LDHB reagent was 2 nM Human LDHB (Meridian Life Science, Inc., Memphis, Tenn.), final concentration, in assay buffer. The substrate reagent was 0.13 mM NADH and 0.16 mM sodium pyruvate, final concentration, in assay buffer. The resazurin/diaphorase coupling reagent was 0.037 mM resazurin and 0.133 mg/mL diaphorase, final concentration, in assay buffer.
11448	1	In Vitro Functional Assay of Muscarinic Acetylcholine Receptor Activity	Primary compound plates were prepared in 100% DMSO in opaque 96-well plates (VWR) and serially diluted in half log increments. Secondary compound plates were prepared at 3× concentration in assay buffer. Compounds were added to white, clear bottom tissue culture treated 96-well plates (Fisher Scientific). Coelenterazine-loaded cells were then added at 5×105 cells/well.Compounds and cells were incubated at room temperature for 30 min in the dark. Acetylcholine at the EC80 concentration was added and calcium flux measured using a FlexStation 3 (Molecular Devices). Sigmoidal dose-response curves were generated by measuring luminescence over 40 sec and calculating the area under the curve. Dose response curves and
13313	1	Human Kisspeptin Binding Assay Protocol	The human kisspeptin membrane binding assay utilizes the following components: radiolabel [125I]-metastin (45-54) (human) (Perkinhmer), crude Flp-In T-Rex 293 kisspeptin membranes, and competing small molecule and peptide ligands. The assay is initiated by combining in assay buffer (50 mM TrisHCl, 5 mM MgCl2, 2 mM EGTA, 10 mM CaCl2, 0.1% BSA, pH 7.4) a dose response of competing ligand (final concentrations are typically 0-10,000 nM), 5-10 μg of Flp-In T-Rex 293 kisspeptin membranes, and 0.2 n M [125I]-metastin (45-54) in a 96-well assay plate and allowed to incubate 90 minutes at room temperature. Assay contents are then filtered through unifilter CF/C: microplates (PerkinElmer) pre-soaked with 0.5% BSA and washed with 9×400 μL of cold wash buffer (10 mM HEPES, 500 mM NaCl, 0.1% Tween-20, pH7.4). Assay plates are read using a Microbeta2 (PerkinElmer) and Ki values for compounds are determined using a GraphPad Prism 9.3 non-linear regression analysis.
11449	2	NR2B Radioligand Binding Assay	This example describes an NR2B receptor binding assay in rat brain using [3H] (E)-N1-(2-methoxybenzyl)-cinnamidine (see below). The binding assay method was adapted from a previously described cellular human NR1a/NR2B cloned receptor assay (Kiss et al. Neurochem. Internatl. 2005, 46:453-464) to rat brain tissue. This assay serves as a selective measure of NR2B receptor binding activity in native rat brain receptors. Briefly, the brains of male Wistar rats were homogenized (Polytron) before centrifugation at 40,000×g for 15 minutes at 4° C. After 2 washes, the final pellet was homogenized and stored at &#8722;80° C. The protein concentration was determined by Bradford assay. [3H] (E)-N1-(2-methoxybenzyl)-cinnamidine was used at 2 different concentrations, 0.5 and 30 nM, with 30 &#956;g of membrane proteins. Non-specific binding was assessed in the presence of excess (10 &#956;M) (E)-N1-(2-nethoxybenzyl)-cinnamidine. A high affinity site was identified, for which inhibition constant (Ki) values of 0.193, 0.176, 0.41, and 0.087 (mean=0.22) nM were determined in independent assays for (E)-N1-(2-methoxybenzyl)-cinnamidine. In cloned human NR1a/NR2B receptors, the Ki values for (E)-N1-(2-methoxybenzyl)-cinnamidine were 1.0 nM and 0.7 nM using [3H] (E)-N1-(2-methoxybenzyl)-cinnamidine and [3H]-ifenprodil as the radioligands, respectively (Claiborne et al. Bioorg. Med. Chem. Lett. 2003, 13:697-700).
11449	3	hERG Channel Inhibition	The assay was performed on hERG channel stably expressed in HEK293 cells. The cells were cultured at 37° C. in a humidified CO2 incubator in the growth medium consisting of DMEM, 10% fetal bovine serum and antibiotics. Prior to the assay, the cells were seeded onto a 12-mm PDL-coated glass coverslip and cultured in a 35-mm Petri dish. After 16 to 40 hours culture, the coverslip was transferred into the chamber of OctaFlow perfusion system (ALA Instrument) and under a constant flow of extracellular solution (140 mM NaCl, 4 mM KCl, 1 mM MgCl2, 2 mM CaCl2, 10 mM HEPES, 10 mM D-glucose, pH 7.35, osmolarity 290). Whole cell patch clamping was performed with a glass micropipette filled with intracellular solution (120 mM KCl, 1.75 mM MgCl2, 5.4 mM CaCl2, 10 mM HEPES, 10 mM EGTA, and 4 mM ATP-K2, pH 7.2, osmolarity 310). Giga-seal was maintained during the test. The voltage control and current measurement were carried out using Axon amplifier 700B, Digidata 1440A and CLAMPEX10 software (Molecular Devices). Whole-cell hERG currents were recorded following the Petroski protocol: the cell was held at &#8722;80 mV, and the voltage step jumped from &#8722;80 to 30 mV and stay for 2 seconds with a 20-millisecond prepulse at &#8722;40 mV. After depolarization, the voltage was decreased to &#8722;40 mV and stay for 2 seconds, and returned back to &#8722;80 mV. Test compound was applied by quartz capillary tubes tip (200 m inner diameter), and the flow rate was controlled at 2-3 mL/min with OctaFlow perfusion system. Different concentrations of the compound were applied to the cells for 5 minutes and the hERG current was measured three times before, during and after compound treatment. The data were analyzed using Clampfit 10 software (Molecular Devices) to generate IC50 values.
11449	4	CYP P450 Enzyme Inhibition	Inhibitory activities of test compounds on 5 major isoforms of CYP P450 were evaluated by using pooled human liver microsome (HLM, purchased from BD Gentest) and selective substrates for those isoforms. Those CYP isoforms and their corresponding probe substrates are as follows: CYP1A2 (phenacetin, 30 &#956;M), CYP2C9 (tolutamide, 100 &#956;M), CYP2C19 (S-mephenytoin, 40 &#956;M), CYP2D6 (dextromethorphan, 5 &#956;M), and CYP3A4 (midazolam, 1 &#956;M). All probe substrates were used at concentrations near or below their Kms. A reaction mixture of test compound at 10 &#956;M or in serial dilution, CYP probe substrate described above and 0.2 mg/mL pooled HLM in phosphate buffer, pH 7.4 in a final volume of 200 &#956;L was pre-incubated at 37° C. for 10 minutes in triplicate. The reaction was initiated by addition of NADPH at final concentration of 1 mM. The reaction was terminated after 10 minutes (CYP1A2, CYP2D6, and CYP3A4) or 30 minutes (CYP2C9 and CYP2C19) by addition of 100 &#956;L ice-cold acetonitrile with internal standard (IS). The samples were then centrifuged at 13,000 rpm and the supernatants were injected to an LC-MS/MS (Agilent Technologies) to quantify the concentration of the specific metabolites of the probe substrates formed by individual CYP450 isoforms. The inhibition ratio is calculated as:(M t &#8722;M 0)/M water×100%in which Mt and M0 represent the concentrations of the specific probe substrate metabolite, which was formed by individual CYP450 isoform, at the beginning and end of the reaction in the presence of test compound; while Mwater represents the concentration of the specific metabolite at the end of the reaction in the absence of test compound. Test compound concentration-dependent response studies were performed in triplicate. Mean CYP2D6 IC50 values were derived from non-linear, least-squares fitting of dose-dependent response data to a standard logistic equation (Prism, GraphPad Software, Inc.) to generate the CYP2D6 IC50
11450	1	ALDH Assay Protocol	5 &#956;l of enzyme (150 nM for ALDH1a1 and 200 nM for ALDH2 in reaction buffer) were delivered to assay wells in coming black, 384 well plate. 5 &#956;l of reaction buffer was delivered to &#145;no enzyme&#146; background control wells. Test compounds were prepared in 100% DMSO by serial dilution in 100× of assay concentration. After adding the test compounds, reaction plate was centrifuged briefly in 1200 rpm, then incubated for 20 min at room temperature, to pre-incubate enzyme and compounds. 5 &#956;l of substrate solution (reaction buffer containing 250 &#956;M Acetaldehyde, 500 &#956;M NAD+ for ALDH1a1 and 100 &#956;M Acetaldehyde, 500 &#956;M NAD+ in the for ALDH2) were then delivered to assay wells. Reaction plate was briefly centrifuged and sealed with a plastic film to limit evaporation. After incubation at room temperature for 60 min, 10 &#956;l of detection reagent (15 &#956;g/ml diaphorase, 30 &#956;M resazurin prepared in the degassed reaction buffer) was added. Reaction plate was briefly centrifuged and incubated for 10 minutes at room temperature in the dark. Fluorescent signal from resorufin was measured by Perkin Elmer Envision at Ex/Em=535/590 nm.
11450	2	MAGL Enzyme Inhibition Assay	The compounds II-2a to II-2m and controls in Table II were tested in 10-dose IC50 mode, with 3-fold serial dilution at a starting concentration of 100 &#956;M for compounds (II-2a-m) and a concentration of 10 &#956;M for JZL184 used as a positive control. The assay buffer (10 mM Tris-HCl with 1 mM EDTA, pH 7.2) was used to dilute the FAAH human recombinant enzyme (Reaction Biology Corp., Malvern, 19355, PA, USA) at a final concentration of 10 nM. The substrate, 4-nitrophenylacetate, was used as a final concentration of 250 &#956;M. The plate was mixed for 30 s and incubated at room temperature for 30 min. The plate was read at an absorption wavelength of 405 nm to detect the release of the by-product 4-nitrophenol. The measurement of IC50 for compound II-2d was repeated in presence 10 mM of dithiothreitol to check the reversibility of the MAGL inhibition by our compounds.
11450	3	FAAH Enzyme Inhibition Assay	FAAH inhibition assay was performed using Fatty Acid Amide Hydrolase Inhibitor Screening Assay Kit (Item #10005196), Cayman (1180 E Ellsworth Rd Ann Arbor, MI, USA). The compounds were tested in 10-dose IC50 mode, with 3-fold serial dilution at a starting concentration of 100 &#956;M for compounds (II-2a to II-2m) and a concentration of 5 &#956;M for JZL195 used as a positive control. Manufacturer&#39;s protocol was followed to perform the assay. The assay buffer (125 mM Tri-HCl with 1 mM EDTA, pH 9.0) was used to dilute the FAAH human recombinant enzyme. AMC-Arachidonoyl amide, at a concentration of 400 &#956;M was then used as the FAAH substrate. Samples were mixed for 30 s and incubated at 37° C. for 30 min. The fluorescent by-product AMC (7-amino-4-methylcoumarin) released by the FAAH enzyme was detected and quantified at an excitation wavelength of 355 nm and emission wavelength of 460 nm.
11451	1	Wild Type SARS-CoV-2 Mpro Inhibition Assay	Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-tagged Mpro (referred to as 3CL protease in the kit) was tested for ability to cleave a FRET peptide substrate (DABCYL-KTSAVLQSGFRKME-EDANS) to generate a fluorescent product (SGFRKME-EDANS) over time. The final volume is 25 ml in indicated assay buffer, with final Mpro and substrate concentrations as 17 nM and 40 uM respectively. Fluorescent intensities were monitored once every 5 minutes after adding substrate into the rest of reaction mixture. Enzyme activity was represented using the initial linear slope of the kinetic curve. Compounds were first serially diluted in DMSO as 1000 working stock, then diluted in assay buffer before adding to reaction mixture following manufacture's protocol. 100 mM GC376 was used as 100% inhibition control. For no inhibition control, no compound was added. Blank wells contained buffer, substrate but no Mpro. Final 0.1% DMSO was included as vehicle no inhibition control.
11452	1	Human eIF4E/4G2 Binding Assay	Test compounds (3.43 mM stock in DMSO) were diluted 2-fold in series in DMSO (10 concentration points). Compound solutions (1.2 &#956;l/well) were added into black 384-well polypropylene microplates (Matrix, Thermal Scientific). Twenty-two microliters per well of Assay Buffer (50 mM NaPi, pH 6.5, 50 mM KCl, 1 mM DTT and 0.5 mg/ml gamma globulin) and eight microliters per well of 82.5 nM purified eIF4E in Assay Buffer were added. The samples were incubated at room temperature (20-23° C.) for 4 hours. Biotin labeled 4G2 peptide (Ac-Lys-Gln-Tyr-Asp-Arg-Glu-Phe-Leu-Leu-Asp-Phe-Gln-Phe-Met-Pro-Lys(Aha-Bio)-NH2, 1.75 &#956;M stock in DMSO) was diluted to 0.14 &#956;M in Assay Buffer (without DTT) and 5 &#956;l/well was added. The samples were incubated at room temperature for 20 min. Five microliters per well of 6.4 nM Eu-streptavidin (Eu-SA, Perkin Elmer) and 80 nM Allophycocyanin (APC)-anti His antibody (Columbia Biosciences) in Assay Buffer (without DTT) were then added and the samples were incubated at room temperature for 20 min.
11453	1	Neprilysin Inhibition Assay	NEP inhibitors, such as thiorphan, candoxatril, and candoxatrilat, have been studied as potential therapeutics. Compounds that inhibit both NEP and angiotensin-I converting enzyme (ACE) are also known, and include omapatrilat, gempatrilat, and sampatrilat. Referred to as vasopeptidase inhibitors, this latter class of compounds is described in Robl et al. (1999) Exp. Opin. Ther. Patents 9(12): 1665-1677.
11453	2	Enzyme Inhibition Assays (Assay 1)	Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, respectively). The fluorogenic peptide substrate Mca-D-Arg-Arg-Leu-Dap-(Dnp)-OH (Medeiros et al. (1997) Braz. J. Med. Biol. Res. 30:1157-62; Anaspec, San Jose, Calif.) and Abz-Phe-Arg-Lys(Dnp)-Pro-OH (Araujo et al. (2000) Biochemistry 39:8519-8525; Bachem, Torrance, Calif.) were used in the NEP and ACE assays respectively. The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 &#956;M in Assay Buffer (NEP: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% polyethylene glycol sorbitan monolaurate (Tween-20), 10 &#956;M ZnSO4; ACE: 50 mM HEPES, pH 7.5, 100 mM NaCl, 0.01% Tween-20, 1 &#956;M ZnSO4). The respective enzymes were used at concentrations that resulted in quantitative proteolysis of 1 &#956;M of substrate after 20 minutes at 37° C.Test compounds were assayed over the range of concentrations from 10 &#956;M to 20 &#956;M. Test compounds were added to the enzymes and incubated for 30 minute at 37° C. prior to initiating the reaction by the addition of substrate. Reactions were terminated after 20 minutes of incubation at 37° C. by the addition of glacial acetic acid to a final concentration of 3.6% (v/v). Plates were read on a fluorometer with excitation and emission wavelengths set to 320 nm and 405 nm, respectively. Inhibition constants were obtained by nonlinear regression of the data using the equation (GraphPad Software, Inc., San Diego, Calif.)
11454	1	Inhibition of KCNT1 KCNT1-WT-Basal - Patch Clamp Assay	Inhibition of KCNT1 (KNa1.1, Slack) was evaluated using a tetracycline inducible cell line (HEK-TREX). Currents were recorded using the SyncroPatch 384PE automated, patch clamp system. Pulse generation and data collection were performed with PatchController384 V1.3.0 and DataController384 V1.2.1 (Nanion Technologies). The access resistance and apparent membrane capacitance were estimated using built-in protocols. Current were recorded in perforated patch mode (10 µM escin) from a population of cells. The cells were lifted, triturated, and resuspended at 800,000 cells/ml. The cells were allowed to recover in the cell hotel prior to experimentation. Currents were recorded at room temperature. The external solution contained the following (in mM): NaCl 105, NMDG 40, KC1 4, MgC12 1, CaC12 5 and HEPES 10 (pH = 7.4, Osmolarity ~300 mOsm). The extracellular solution was used as the wash, reference and compound delivery solution. The internal solution contained the following (in mM): NaCl 70, KF 70, KC1 10, EGTA 5, HEPES 5 and Escin 0.01 (pH = 7.2, Osmolarity ~295 mOsm). Escin is made at a 5 mM stock in water, aliquoted, and stored at -20° C. The compound plate was created at 2x concentrated in the extracellular solution. The compound was diluted to 1:2 when added to the recording well. The amount of DMSO in the extracellular solution was held constant at the level used for the highest tested concentration. A holding potential of -80 mV with a 100 ms step to 0 mV was used. Mean current was measured during the step to 0 mV. 100 µM Bepridil was used to completely inhibit KCNT1 current to allow for offline subtraction of non-KCNT1 current. 
11455	1	ROCK2 Kinase Activity Assay	The kinase IC50 was determined by a commercialized CISBIO kinase detection kit, HTRF KinEASE-STK S2 kit (62ST2PEC). ROCK2 (01-119) employed in the reaction was purchased from Carna Biosciences. Before the assay, the following working solutions as needed were formulated with corresponding reagents according to the instruction of the kinase detection kit: 1×kinase buffer, 5×STK-S2 substrate working solution (1.5 &#956;M) and 5×ATP working solution (1.5 &#956;M), 5×ROCK2 kinase working solution, 4×Streptavidin-XL665 working solution, and 4×STK-Ab-Cryptate 2 detection solution. Then the assay was performed according to the following procedure. A solution of a compound at a concentration of 10000 nM was prepared with the 1×kinase buffer containing 2.5% DMSO. Gradient dilution of the solution of the compound was performed with the kinase buffer containing DMSO, so as to obtain solutions of a test compound at 9 different concentrations. In addition to wells of test compounds, a positive well (containing all the reagents except the compound) and a negative well (containing all the reagents except the test compound and kinase) were set. Except for the control wells (positive and negative wells), a solution of a test compound (4 &#956;L) was added to each of the reaction wells, and a solution of 2.5% DMSO was added to the control wells. Then the substrate (2 &#956;M, i.e., 2 &#956;L 5×STK-S2 substrate working solution) was added to each of the reaction wells. The 5×ROCK2 kinase working solution (2 &#956;L, containing 1.4 ng ROCK2 kinase) was added to each of the reaction wells except for the negative well, the volume of which was made up with the 1×kinase buffer (2 &#956;L). The 5×ATP working solution (2 &#956;L) was added to each of the reaction wells, and the mixtures were incubated at room temperature for 2 hours. After the kinase reaction was complete, the 4×Streptavidin-XL665 working solution was added to each of the reaction wells, the solutions were mixed, followed by immediate addition of the 4×STK-Ab-Cryptate 2 detection solution (5 &#956;L), and the mixtures were incubated at room temperature for 1 hour. The fluorescence signal was read on ENVISION (Perkinelmer) (excitation wavelength: 320 nm, and emission wavelength: 665 nm and 615 nm). 
13314	1	 Inhibition of α4β7 and α4β1 Integrins	MAdCAM (R&D Systems, 0.1 ug) was diluted in 50 μL PBS, added to each well of an opaque ELISA plate (Thermo), and incubated overnight at 4° C. Coated plates were washed once with PBS and then blocked with 200 μL of assay buffer (10 mM HEPES, 150 mM NaCl, 1 mM MnCl2, 0.1 mM CaCl2), 1% BSA) for 1 hour at 37° C. and 5% CO2. After incubation, buffer was aspirated from the plates and 50 μL of fresh assay buffer is added. Compounds were added by a compouns dispenser (Tecan) and DMSO concentration was normalized to 1% across each plate. 50 μL of RPMI-8866 cells (2×106 per mL) were added to each well and the plates were incubated for 1 hour at 37° C. and 5% CO2. After incubation, plates were allowed to cool to RT for 10 minutes before being washed four times in assay buffer by an automated plate washer (BioTek). After washing, 100 μL of a 1:1 mixture of assay buffer and CellTiter GLO 2.0 reagent (Promega) were added to each well. Plates were mixed for 2 minutes at 1000 rpm and then allowed to incubate an additional 10 minutes before reading out luminescence on a Tecan Spark plate reader. Raw data was converted to percent inhibition based on DMSO only and control compound wells, and curves were analyzed by 4-parameter fit within Dotmatics software.
11457	1	Estrone Detection Assay for Evaluation of HSD17beta13 Activity	The liquid chromatography/mass spectrometry (LC/MS) estrone detection assay monitors the conversion of estradiol to estrone by HSD17B13. This assay was undertaken in a 96wp format (Eppendorf deep well Plate 96/500) in an 80 µl reaction volume containing: 4 µM of Estradiol (E2; Cayman; #10006315), 6 mM NAD+ (Sigma; #N0623) and 30 nM HSD17B13 enzyme (in-house; E. coli expressed His-tagged, purified, soluble protein) in a reaction containing 1 M potassium phosphate buffer pH 7.4, with 0.5% vehicle (DMSO). Reactions were incubated for 2 hours at 26.5° C., and estradiol (E2) conversion to estrone (E1) was quantitated by LC-MS/MS based analyte detection for both E2 and E1 using LCMS grade reagents.Reactions were terminated by the addition of two volumes of acetonitrile (MeCN; LCMS grade; CAS# 75/05/8) containing deuterated (D4)-E1 used as internal standard (Clear Synth; #CS-T-54273; 500 ng/mL final concentration). Samples were applied to pre-prepared Bond Elut-C18 extraction cartridges (3 mL; Agilent; #12102028), washed and eluted in MeCN. Eluates were dried under nitrogen and re-suspended in 60% methanol (LCMS grade methanol; CAS# 67/56/1) before submission for analysis. Aqueous linearity for E2 and E1 were included for quantification.
11458	1	Enzyme Assay of Inhibition Against MLL1-WDR5 Protein-Protein Interactions	WDR5 TR-FRET Assay Procedure: Stock compounds were transferred to the assay plate by Echo Liquid Handler. Reactions were performed in the assay buffer (1×PBS, 300 mM NaCl, 0.5 mM TCEP, 0.1% CHAPS) containing 5 nM WDR5 protein, 10 nM peptide (Ac-ARTEVHLRKS-[Ahx-Ahx] [C]-Alexa Fluor 488-NH2) and 0.25 nM Tb-anti His antibody (Tb-Ab) in 384-well white plate (PerkinElmer) with a final volume of 20 &#956;l. Compounds were incubated with WDR5 protein for 30 min at room temperature. Plates were covered, protected from light and incubated for 60 min at room temperature after adding the peptide and Tb-Ab. EnVision Multimode Plate Reader (PerkinElmer) was used for the TR-FRET assay with excitation wavelength at 340 nm and emission wavelength at 495 and 520 nm. The ratio of the 520/495 wavelengths were used to assess the degree of the FRET signal. IC50 was calculated by fitting the inhibition data using XLfit software to sigmoidal dose-response model.
11459	1	AlphaLISA Assay	The ability of the compounds to block binding of IL-17A to its receptor, IL-17RA, was analysed in a competition assay using AlphaLISA technology (Perkin Elmer). The assay is a bead based AlphaLISA where the IL-17RA is captured on the acceptor bead via an Fc tag and IL-17A is captured on the streptavidin donor bead via a biotinylated anti-IL-17A antibody.Assay buffer was prepared by adding 0.05% Tween-20 (v/v) and 0.1% BSA to Phosphate Buffered Saline (PBS). The assay was carried out in 384-well white low volume plates (Corning 4512). 10 &#956;L of a 7.5 nM stock of human recombinant IL-17A (R&D Systems 7955-IL/CF) diluted in assay buffer was dispensed into the assay plate and compounds or DMSO vehicle control were added in a volume of 75 nL using a D300 dispenser (Hewlett Packard). The compounds were pre-incubated with the IL-17A for 24 h at room temperature (or for 30 min, where indicated by * in Table A below) prior to addition of 5 &#956;L of a 5 nM stock of human recombinant IL-17RA/Fc chimera (R&D Systems 177-IR-100) diluted in assay buffer. The IL-17A was incubated with the receptor for a further 90 minutes at room temperature before addition of 5 &#956;L of a mixture of anti-human Fc IgG acceptor beads (75 &#956;g/mL, Perkin Elmer AL103C) and anti-IL-17A biotin conjugated antibody (5 nM, Enzo Life Sciences, ENZ-ABS278-0100) in assay buffer. After a further 30 min incubation at room temperature, 5 &#956;L of streptavidin donor beads (75 &#956;g/mL, Perkin Elmer 6760002S) were added and the plate was incubated for 3 h in the dark. The luminescence signal was measured using an Enspire plate reader (Perkin Elmer) with excitation at 680 nm and emission at 615 nm. Data were analysed using GraphPad Prism and fitted to a 4-parameter logistic equation.
11460	1	DYRK1A Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission. Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1×Kinase buffer to final concentrations of 0.19 &#956;g/mL, 30 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control. After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11460	2	GSK3&#946; Kinase Assay 	The GSK3&#946; kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as ratio of coumarin emission/fluorescein emission.Briefly, recombinant GSK3&#946; kinase, ATP and Ser/Thr peptide 09 are prepared in 1×Kinase buffer to final concentrations of 0.04 &#956;g/mL, 46 &#956;M, and 4 &#956;M respectively. The mixture is allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 serve as control reactions. After incubation, diluted Development Buffer is added to the reaction and allowed to further incubate for one hour at room temperature. The plate is read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer). The Emission ratio (Em) is calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation is then calculated using the following formula: [1&#8722;((Em ratio×F100%)&#8722;C100%)/((C0%&#8722;C100%)+(Em ratio×(F100%&#8722;F0%)))].
11461	1	Enzyme assay of inhibition against MLL1-WDR5 protein-protein interactions	WDR5 TR-FRET Assay Procedure: Stock compounds were transferred to the assay plate by Echo Liquid Handler. Reactions were performed in the assay buffer (1×PBS, 300 mM NaCl, 0.5 mM TCEP, 0.1% CHAPS) containing 5 nM WDR5 protein, 10 nM peptide (Ac-ARTEVHLRKS-[Ahx-Ahx][C]-Alexa Fluor 488-NH2) and 0.25 nM Tb-anti His antibody (Tb-Ab) in 384-well white plate (PerkinElmer), with a final volume of 20 &#956;l. Stock compounds were incubated with WDR5 protein for 30 min at room temperature. Plates were covered, protected from light and incubated for 60 min at room temperature, after adding the peptide and Tb-Ab. EnVision Multimode Plate Reader (PerkinElmer) was used for the TR-FRET assay with excitation wavelength at 340 nm and emission wavelength at 495 and 520 nm. The ratio of the 520/495 wavelengths were used to assess the degree of the FRET signal. IC50 was calculated by fitting the inhibition data using XLfit software to sigmoidal dose-response model.
11462	1	Evaluation of Activity to Inhibit Generation of Reactive Oxygen Species and Spore Germination Through NOX Enzyme Inhibition	Specifically, for the evaluation of compound activity, 0.1 mM of the compound was added to a minimum medium (MM20) spore suspension diluted to &#8533;. Spores (105/ml) of wild-type red mold strain GZ3639 were inoculated into the medium and cultured at 25° C. for 24 h, followed by microscopic observation. Compounds having a germination inhibition rate and microcycle conidiation to be 50% or more of those in normal germination were selected, and their activities were evaluated at concentrations of 50 µM, 25 µM, and 10 µM. At this time, the activity of substances having a germination inhibition rate of 95% at 10 µM was further evaluated at concentrations of 5 µM, 1 µM, 0.5 µM, and 0.1 µM. Based on the result of this evaluation, the compound concentration (inhibitory concentration 50%, IC50) at which the spore germination inhibition rate was 50% was determined.
11463	1	Kallikrein Assay	Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaC12, and 0.1% PEG 8000 (polyethylene glycol; Fisher Scientific). Determinations were made using purified Human plasma kallikrein at a final concentration of 0.5 nM (Enzyme Research Laboratories) and the synthetic substrate, Acetyl-K-P-R-AFC (Sigma # C6608) at a concentration of 100 mM. Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration &#8804; 0.2 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. The reactions were performed under linear progress curve conditions and fluorescence increase measured at 405 Ex/510 Em nm. Values were converted to percent inhibition of the control reaction (after subtracting 100% Inhibition value). IC50 was determined by inflection point from a four parameter logistic curve fit. Ki was calculated using the Cheng Prusoff equation, Ki = IC50/(1+([S]/Km)).
11463	2	Factor XIa Assay	Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the half-maximal inhibitory concentrations (IC50), or the inhibitory constant, Ki. Compounds were pre-incubated for 30 minutes at 25° C. with human (0.04 nM) Factor XIa in 50 mM HEPES buffer with 150 mM sodium chloride, 5 mM calcium chloride, 0.1% PEG 8000, pH 7.4. Factor XIa enzymatic activity was determined by addition of the substrate glycine-proline-arginine-7-amido-4-trifluoromethylcoumarin (GPR-AFC) and measurement of the fluorescence at 400/505 nm after a 60 minute incubation at 25° C. The % inhibition for each data point was calculated from the data and analyzed using the log (inhibitor) vs. response four parameters equation to determine the half-maximal inhibitory concentrations (IC50). The IC50 were converted to equilibrium inhibitory constants (Ki) using the Cheng-Prusoff equation.
11464	1	PI3K-Alpha Kinase (PIK3CA) Activity, Wild-Type and H1047R Mutant and Determining IC50 Values for Inhibitors	Recombinant, catalytically active human full length PIK3KA Wild-type and H1047R mutant were purchased as 1:1 complex of N-terminal 6× his tagged p110Figure US20230286960A1-20230914-P00002(catalytic) and untagged p85Figure US20230286960A1-20230914-P00002(regulatory subunit) from EMD Millipore Sigma (cat. no. 14-602M and 14-792M, respectively). The enzyme stocks were diluted to 5× stocks in buffer (20 mM HEPES pH 7.4, 100 mM NaCl, 0.5 mM EGTA, 0.01% triton-x-100) just before use. PIP2diC8 (Avanti Polar Lipids Inc., cat. no. 850185) or phosphoinositol-4,5-bisphosphate with phosphoserine (PIP2:PS) membrane (Thermo Fisher Scientific, cat. no. PV5100) was used as lipid substrates. PIP2diC8 lyophilized powder and PIP2:PS (1:19) membrane stock (1 mM in PIP2) were separately dissolved in milliQ water to a concentration of 250 uM and stored in &#8722;20° C. 10 mM stocks of compounds were serially diluted (3×) in neat DMSO and stored in a dessicator at room temperature. 5× compound stocks in 25% DMSO were prepared fresh from neat DMSO stocks. Wild-type (WT) and H1047R mutant protein, along with buffer components (except ATP), were incubated with or without compound at 27° C. for 1 h. After incubation, the reaction was initiated by the addition of 5 uL of 125 uM ATP. A typical assay mixture (25 uL) comprised 40 mM HEPES buffer, pH 7.4, 25 mM MgCl2, 0.01% v/v triton-X-100, 5% v/v DMSO, 20 mM NaCl, 1-5 nM wt or H1047R, 25 uM ATP, and 50 uM PIP2diC8 or PIP2 in membrane. The reaction was allowed to proceed until about 1000 conversion (2.5 uM ADP) after which time, 10 uL of reaction mixture was quenched with 25 uL of transcreener reagent (Transcreener ADP2 FI assay kit, BellBrook labs, Cat. No. 3013). The contents were incubated at rt for 1 h and fluorescence was measured using a plate reader (Paradigm, Molecular Devices).
11465	1	Enzymatic Activity Assay	For each test compound, 100× concentrated DMSO solutions at 8 doses were prepared and then diluted in assay buffer (25 mM Tris-HCl, pH 8, 130 mM NaCl, 0.05% Tween-20, 10% Glycerol) to obtain 5× concentrated solutions in relation to the final concentrations (typical final concentration range 6.4-200000 nM or 0.18-50000 nM, final DMSO content 1%). Then 10 &#956;L solution of each test compound concentration were placed on a 96-well plate in triplicate and 15 &#956;L of 3.33× concentrated enzyme solution in the assay buffer containing 3.33× concentrated BSA (final BSA concentration 2 mg/mL for HDAC4, HDAC5 and HDAC9 or 1 mg/mL for other isoforms) and in the case of HDAC6-3.33× concentrated TCEP (final TCEP concentration 200 &#956;M) were added to each well. After a period of preincubation (incubation times and temperatures vary for different isoforms and are shown in table 1) 25 &#956;L of solution containing the substrate were added. As substrate, FLUOR DE LYS deacetylase substrate (Enzo Life Sciences, cat: BML-KI104, FdL), FLUOR DE LYS -Green substrate (Enzo Life Sciences, cat: BML-KI572, FdL_G) or Boc-Lys(Tfa)-AMC (Bachem, cat: 4060676.005, Tfal) 2× concentrated solution in assay buffer were used. Following a reaction period (reaction times and temperatures vary for different isoforms and are reported in Table 1), 50 &#956;L of the development solution consisting of concentrate FLUOR DE LYS developer I (Enzo Life Sciences, ca: BML-KI105), diluted 200 times in buffer (50 mM Tris-HCl, pH 8, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2) plus 2 &#956;M TSA was added and, after 25 minutes at room temperature in the dark, using the Victor 1420 Multilabel Counter Perkin Elmer Wallac instrument, the fluorescence reading was carried out. Enzymatic activity on recombinant human HDAC6 and HDAC1 was evaluated (Table 2) for each synthesized compound. All compounds tested resulted virtually inactive (IC50 > 30 &#956;M) on HDAC1.
11466	1	Enzymatic Assay	The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco s PBS buffer in a final assay volume of 20 µL. ARM-SAM-TIR lysate with a final concentration of 5 µg/mL was pre-incubated with the respective compound at 1% DMSO final assay concentration over 2 h at room temperature. The reaction was initiated by addition of 5 µM final assay concentration of NAD+ as substrate. After a 2 hr room temperature incubation, the reaction was terminated with 40 µL of stop solution of 7.5% trichloroactetic acid in acetonitrile. The NAD+ and ADPR concentrations were analyzed by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, CA) using an API4000 triple quadrupole mass spectrometer (AB Sciex Framingham, MA).
11467	1	Test of AKT Kinase Inhibiting Activity	After all the reagents were prepared according to the above method, except for the enzyme, the reagents were equilibrated to the room temperature and loaded. a) first, a compound stock solution (10 mM DMSO solution) was diluted with DMSO to obtain a 100 µM compound solution, the compound solution was diluted with the 1× kinase reaction buffer to obtain a 2.5 µM compound working solution (containing 2.5% DMSO). A 2.5% DMSO solution was prepared from the 1× kinase reaction buffer, and the 2.5 µM compound working solution was diluted 7 times with the 2.5% DMSO solution according to a 4-fold gradient to obtain compound working solutions at 8 concentrations (2500 nM, 625 nM, 156 nM, 39 nM, 9.8 nM, 2.4 nM, 0.6 nM, and 0.15 nM). Except for control wells, 4 µL of diluted compound working solution was placed in each reaction well, and 4 µL of previously prepared 2.5% DMSO/kinase buffer was placed in each control well.
11468	1	HTRF Assay	Each 15 &#956;L HTRF reaction in a 384-well black Proxiplate (Perkin Elmer) contained 1 nM Trx-6×His-BCL6 (in house-produced, human BCL6 BTB domain covering amino-acid sequence 5-129), 300 nM BCOR-AF633 peptide (RSEIISTAPSSWVVPGP-Cys-AlexaFluor 633-amide, Cambridge Research Biochemical) and 0.5 nM anti-6×His-Terbium cryptate (CisBio Bioassays, France), in assay buffer (25 mM Hepes pH8, 100 mM NaCl, 0.05% Tween20, 0.5 mM TCEP, 0.05% bovine serum albumin). Test compounds in DMSO or DMSO alone were added to the wells using an ECHO550 acoustic dispenser (Labcyte Inc) to give the appropriate test concentration in 0.7% v/v DMSO final. After 2 hours incubation at room temperature the plate was read on an Envision plate reader (Perkin Elmer) with 337 nm laser excitation, a first emission filter APC 665 nm and a second emission filter Europium 615 nm. The % inhibition at each concentration was calculated by normalising FRET ratio to the appropriate high (DMSO with all reagents) and low (DMSO without BCL6) controls. The compound IC50s were determined using GraphPad Prism 6.0 or Dotmatics (Bishops Stortford, UK) software by fitting the normalised data to a sigmoidal four-parameter logistic fit equation.
11469	1	No assay	No assay is defined.
11470	1	Fluorescence Polarization Competition Assay	The fluorescence polarization assays were performed in 96 well polypropylene F-bottom black microplates (Greiner Bio-One) with a final volume of 100 &#956;L. During the competition assay, a fluorescently-labeled Bak-BH3 peptide (FITC-Ahx-GQVGRQLAIIGDDINR-CONH2, hereafter FITC-Bak , where FITC=fluorescein isocyanate; Ahx=6-aminohexanoyl linker) was competed off of either MCL-1172-327, BCL-XL 1-212 or BCL-21-211 with the synthesized inhibitors. The binding affinities of FITC-Bak to MCL-1, BCL-XL and BCL-2 were determined via a fluorescence polarization assay where various concentrations of the selected proteins were titrated into solutions of 10 nM FITC-Bak in 20 mM HEPES, pH 6.8, 50 mM NaCl, 3 mM DTT, 0.01% Triton X-100 and 5% DMSO at room temperature. The changes in the fluorescence polarization were then measured using a BMG PHERAstar FS multimode microplate reader equipped with two PMTs for simultaneous measurements of both the perpendicular and parallel fluorescence emission at a 485 nm excitation and 520 nm emission filter. Regression analysis was then performed on the polarization data using Origin (OriginLab, Northampton, Mass.) and the data was fitted to the Hill equation, thus producing binding curves for FITC-Bak with MCL-1, BCL-XL and BCL-2.
11471	1	PDL1/PD1 Binding Assay	Compounds to be tested were serially diluted in DMSO, and further diluted in assay buffer (25 mM Hepes pH 7.4, 150 mM NaCl, 0.005% Tween 20, BSA 0.01%). Diluted compounds were added to the wells with final concentration of DMSO at 1%. PDL1-6×His protein was added to the wells, mixed well with compound. The plates were incubated for 30 min at room temperature. PD1-Fc-Avi-Biotin protein was added to the wells. Final concentration of PDL1 and PD1 protein is 0.3 nM and 2.5 nM, respectively. After a binding time of 30 min at room temperature, Anti-6×His Acceptor beads (final concentration 20 ug/ml) were added to the wells, and the incubation continued for 1 h. Streptavidin Donor beads (final concentration 20 ug/mL) were added at reduced light. The plates were sealed with foil and incubated in the dark for additional 1 h or overnight before reading on an Envision reader.
11472	1	Cell free binding to the Glucocorticoid Receptor (GR) in LanthaScreen TR-FRET GR Competitive Binding Assay	To evaluate the ability of novel steroids to bind to the Glucocorticoid Receptor (GR), a cell-free binding assay was performed using a LanthaScreen TR-FRET GR Competitive Binding Assay kit (Life Technologies, Cat #A15901). The assay was performed according to the manufacturer&#39;s instruction. Budesonide is a commercial GR steroid and was used as a reference control in the binding assay and other cell based assays described later in the document. Briefly, a threefold serial dilution of budesonide and the derivative compounds noted below were prepared in 100% DMSO starting at 100 nM (100× of final). Serial dilutions were further diluted 50-fold in nuclear receptor buffer F with 5 mM DTT and 0.1 mM stabilizing peptide, and transferred to a 384-well assay plate. Next, Fluormone GS1 Green, GR-LBD (GST) and Tb anti-GST antibody were sequentially added to the 384-well assay plate. The plate was analyzed on an Envision Multilabel Plate Reader (PerkinElmer) with excitation set at 340 nm and emission filters at 520 nm and 486 nm. The FRET ratio was calculated as 520 nm/486 nm. The IC50 values were determined using a four-parameter logistic equation over a 12-point response curve (GraphPad Prism).
11473	1	Adenosine Receptor Time-Resolved Fluorescence Resonance Energy Transfer (TRFRET) Binding Assay	All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1×LabMed (Cisbio, France), 100 &#956;g/mL saponin, 1% DMSO and 0.02% pluronic acid. Binding of the fluorescently labelled Adenosine receptor antagonist XAC (CA200645, FRET acceptor) to terbium-labelled A1, A2a, A2b and A3 adenosine receptors (FRET donors) was detected by time-resolved FRET due to the close proximity of the donor and acceptor in a binding event. To investigate the ability of unlabelled test compounds to bind to Adenosine A1, A2a, A2b and A3 receptors, dose response curves were constructed that determined the ability of a range of concentrations to inhibit the binding of 30 nM CA200645 to the A2b receptor and 100 nM CA200645 to the A1, A2a, and A3 receptor. Serial dilution (1:3 dilutions) of test compounds in neat DMSO and transfer of a 400 nL sample of test compound into the assay plate was carried out using the Mosquito (TTP Labtech, UK). The compound samples were incubated for 2 hours at room temperature with a fixed concentration of CA200645 defined for each receptor (see above) and CHO cell membranes containing the human Adenosine A1 (0.5 &#956;g/well), A2a (0.3 &#956;g/well), A2b (1 &#956;g/well) or A3 (1 &#956;g/well) receptor in 40 &#956;L of assay buffer. Total and non-specific binding of CA200645 was determined in the absence and presence of 10 &#956;M XAC, respectively. Following 2 hours incubation, the level of CA200645 binding was detected on a Pherastar FSX (BMG Labtech, Germany) using standard TR-FRET settings. The terbium donor was excited with three laser flashes at a wavelength of 337 nm, and donor and acceptor emission was detected at 620 nm and 665 nm wavelengths, respectively. FRET ratios were obtained by multiplying the acceptor/donor ratio value by 10,000. Specific binding was determined by subtracting the non-specific binding FRET ratio from the total binding FRET ratio. Compound IC50 curves were analysed using GraphPad Prism 7.0 (GraphPad, USA) and Ki affinity values were determined from the obtained IC50 values using the method of Cheng and Prusoff
11474	1	Solid Phase Integrin alphaVbeta6 Binding Assay	Microplates were coated with recombinant human integrin alphavbeta6 (2 ug/mL) in PBS (100 uL/well 25 C., overnight). The coating solution was removed, washed with wash buffer (0.05% Tween 20; 0.5 mM MnCl2; in 1x TBS). The plate was blocked with 200 uL/well of Block Buffer (1% BSA; 5% sucrose; 0.5 mM MnCl2; in 1x TBS) at 37 C. for 2 h. Dilutions of testing compounds and recombinant TGFbeta1 LAP (0.67 ug/mL) in binding buffer (0.05% BSA; 2.5% sucrose; 0.5 mM MnCl2; in 1x TBS) were added. The plate was incubated for 2 hours at 25 C., washed, and incubated for 1 hour with Biotin-Anti-hLAP. Bound antibody was detected by peroxidase-conjugated streptavidin. The IC50 values for testing compounds were calculated by a four-parameter logistic regression.
11475	1	Vitro Assays Demonstrate PHD Inhibition	Time-resolved fluorescence resonance energy transfer (TR-FRET) assay was utilized to determine the enzymatic half maximal inhibitory concentration (IC50) value of PHD inhibitors against the full-length human prolyl-4-hydroxylase domain (PHD) enzymes, PHD1, PHD2, and PHD3. The TR-FRET assay was developed based on the specific binding of hydroxylated HIF-1&#945; peptide with the complex formed by VHL, EloB and EloC (VBC), to generate a fluorescent signal. Terbium (Tb)-Donor (monoclonal antibody anti-6His-Tb-cryptate Gold) and D2-acceptor (streptavidin [SA]-D2) of TR-FRET are linked to the VBC complex and to HIF-1&#945; peptide, respectively. The VBC complex binds specifically to the HIF-1&#945; peptide when it is hydroxylated, allowing energy transfer from TR-FRET donor to acceptor.
11476	1	JAK1, JAK2, and JAK3 Activity	Compounds described herein were tested for the ability to inhibit activity of human JAK1, JAK2 and JAK3, which was achieved using TR-FRET assays. Briefly, the Kinases JAK1 (2.5 nM), JAK2 (0.025 nM) and JAK3 (0.0125 nM) were incubated with a series of concentrations of the test compound in the presence of 1 mM JAK Common Substrate (biotin-ahx- EQEDEPEGDYFEWLE-CONH2), 2 nM Eu-labeled anti-pTYRPY20 and 80 nM Streptavidin APC. After 30 min incubation at RT, ATP (30, 5 and 5 mM respectively for JAK1, JAK2 and JAK3) was added to start the reaction, and incubated for 80 min at RT. The reaction was stopped by adding detection buffer and incubated for a further 60 min at RT. The samples were analyzed using Envision to calculate % inhibition at each of the series of concentrations of the test compound. The IC50 value of the compounds for each of the kinases were calculated using XLFit software.
11477	1	Enzyme Activity Test	1) The compound solution and the positive control were diluted 8.3 times with double distilled water and then added to the 384 well plate, each concentration was 2 uL/well; (2) 6 nM CDK7/Cyclin H/MAT1 kinase solution was added to the compound well and the positive control well respectively; (3) incubating at room temperature for 0 and 60 minutes; (4) 2 mM ATP and 2 pM 5-FAM-CDK7 peptide substrate (5-FAM-YSPTSPSYSPTSPSYSPTSPSKKKK) solution (8 nM CDK9/Cyclin Tl polymer and 2 pM 5-FAM GSRTPMY-NH2 peptide substrate were used in CDK9 inhibition reaction; 50 nM CDK12 (aa686-1082)/Cyclin K polymer and 2 pM 5-FAM GSRTPMY-NH2 peptide substrate were used in CDK12 inhibition reaction; 0.5 nM CDK2/Cyclin El polymer and 2 pM 5-FAM-YSPTSPSYSPTSPSYSPTSPSKKKK peptide substrate were used in CDK2 inhibition reaction) were added; (5) Incubating the 384 well plate at 25° C. for 30 minutes; (6) 4 uL 120 mM EDTA was added to stop the kinase reaction; (7) the conversion rate was read with Caliper/LabChip EZ Reader (Perkin Elmer); (8) IC50 value was obtained by curve fitting using GraphPad Prism 8 software.
11478	1	VAP-1 Assay	The capability of compounds described herein to inhibit the enzymatic activity of vascular adhesion protein-1 (VAP-1) was determined by fluorometric assay. The assay procedure provided by R&D Systems was modified slightly for use as an inhibitor screening assay. The assay measured the H2O2 generated from the oxidative deamination of benzylamine by rhVAP-1 by converting Amplex Red to the fluorescent product, resorufin, via horseradish peroxidase (HRP) and H2O2. Reaction buffer was 10 mM NaHCO3, pH 7.4. A standard curve was prepared by serially diluting H2O2 in reaction buffer. A 10 &#956;M solution of resorufin was prepared in reaction buffer and was dispensed to 2 wells. These wells served as positive control for maximum fluorescence. Reaction buffer was added to the individual wells so that the final volume in each well was 100 &#956;L. Amplex Red was diluted to 1 mM in reaction buffer. A 10 U stock of HRP was prepared in reaction buffer. A reaction cocktail was prepared by mixing equal parts 1 mM Amplex Red with 10 U HRP with 3 parts reaction buffers. The reaction cocktail was added to the appropriate wells, so that that final concentration in the well was 0.05 mM Amplex Red and 0.5 U HRP. A 200 &#956;M solution of benzylamine was prepared in reaction buffer. Benzylamine was added to the appropriate wells so that the final concentration was 50 &#956;M. Inhibitors were diluted in DMSO to 20 and distributed to the appropriate wells. LJP-1207 served a positive control. rhVAP-1 was purchased from R&D Systems. The concentration used for each lot was determined so that the activity was equal to the first lot. Two wells were left blank as controls. The plate was incubated for 30 minutes at 37 C., protected from light under foil. The plate was read at 530/35 emission and 590/35 excitation. Data processing was performed using Excel and Prism software.
11478	2	MAO Assay	The capability of compounds described herein to inhibit MAO was determined using a modified Promega MAO-Glo assay kit. The substrate ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid) was converted by MAO to produce methyl ester luciferin. The luciferin was then converted by luciferase to produce oxyluciferin and light. The light was measured using a luminescence setting on the plate reader. A standard curve was prepared by serially diluting luciferin in reaction buffer. The standard kit reaction buffer was used 100 mM HEPES (pH 7.5), 5% glycerol. The substrate was dispensed into the wells so that the final concentration for MAO-A inhibition assay would be 10 &#956;M and MAO-B inhibition assay would be 1 M. Inhibitors were diluted in DMSO to 4 and distributed to the appropriate wells. Clorgyline and Deprenyl served as positive controls. rhMAO-A and rhMAO-B were purchased from Sigma. MAO-A or MAO-B was added to the appropriate wells. The plate was incubated for 1 hour, at room temperature with gentle shaking (90 rpm). The detection agent was added at equal volume (48 &#956;L detection agent to 48 &#956;L reaction). The plate was incubated for 20 minutes, at room temperature with gentle shaking (90 rpm). The plate luminescence was read. Data processing was performed using Prism software.
11479	1	Identification of HDAC Enzyme Activity Inhibition (In Vitro)	A HDAC enzyme inhibitory capacity of a test material was measured by using HDAC1 Fluorimetric Drug Discovery Assay Kit (Enzolifesciences: BML-AK511) and HDAC6 human recombinant (Calbiochem: 382180). For a HDAC1 assay, samples were treated at a concentration of 100, 1000 and 10000 nM. For a HDAC6 assay, samples were treated at a concentration of 0.1, 1, 10, 100 and 1000 nM. After the above sample treatment, a reaction was continued at 37° C. for 60 minutes, treated with a developer, and subjected to reaction at 37° C. for 30 minutes, after which fluorescence intensity (Ex 390, Em 460) was measured by using FlexStatin3 (Molecular device).
11480	1	Factor XIa Inhibition Assay Utilizing a Fluorophore-Quencher Pair Peptide Substrate	A fluorescence intensity (FLINT) based assay was used to monitor inhibition of Factor XIa. The peptide substrate, 5Fam-KLTRAETV-K5Tamra (purchased from New England Peptide) was chosen based on the FXI sequence. Conversion of zymogen FXI to its activated form, FXIa, occurs by proteolytic cleavage by FXIa at two sites, Arg146 and Arg180. The custom peptide used in this assay was based on the Arg146 cleavage site of FXI. The peptide substrate was designed with a fluorophore-quencher pair, where the fluorescence is quenched until FXIa cleaves the 8-mer peptide after the Arg residue. The substrate KM was fit to a substrate inhibition model whereby kcat=0.86 s&#8722;1, KM=12.4 &#956;M, Ki=61.6 &#956;M with an enzymatic efficiency, and kcat/KM=69523 M&#8722;1 s&#8722;1. The Factor XIa FLINT assay was used with the following 5Fam-KLTRAETV-K5Tamra assay buffer: 50 mM Tris, pH 7.5, 100 mM NaCl, 5 mM CaCl2), 0.1 mg/mL BSA, 0.03% CHAPS. Assay buffer was prepared by mixing all ingredients fresh. 5Fam-KLTRAETV-K5Tamra peptide substrate was first prepared at 10 mM in 100% DMSO, then diluted to 3 mM in 100% DMSO. Assay buffer was then added directly to the 3 mM stock of substrate to prepare the 30 &#956;M 2× working concentration (15 &#956;M final concentration). The 2×Factor XIa stock solution was prepared by diluting 6.562 &#956;M stock in 1×assay buffer for a 200 &#956;M working stock solution (100 &#956;M final concentration).
11480	2	Kallikrein Inhibition Assay Utilizing a Quenched AMC Peptide Substrate	A fluorescence intensity (FLINT) based assay was used to monitor inhibition of human plasma kallikrein. The peptide substrate, Z-Gly-Pro-Arg-AMC (Purchased from Bachem; Catalog #I-1150) was chosen based on its relatively low KM for kallikrein which enables running the assay at lower substrate concentrations to control background fluorescence. The kinetic parameters for this substrate were determined by fitting titration data to the Michaelis-Menten equation yielding a KM=40 &#956;M, kcat=0.76 s&#8722;1, and kcat/KM=18932 M&#8722;1s&#8722;1. The Kallikrein FLINT assay was used with the following Z-Gly-Pro-Arg-AMC assay buffer: 50 mM Tris, pH 7.5, 100 mM NaCl, 5 mM CaCl2), 0.1 mg/mL BSA, 0.03% CHAPS. Assay buffer was prepared by mixing all ingredients fresh. 2×Z-Gly-Pro-Arg-AMC peptide substrate was prepared by diluting 10 mM stock into 1×assay buffer for a 100 &#956;M working concentration (50 &#956;M final concentration). The 2×kallikrein stock solution was prepared by diluting 14.76 &#956;M stock in 1×assay buffer for a 4 nM working stock solution (2 nM final concentration).
11481	1	ATX Enzyme Activity Inhibition Assay	The tested compounds were dissolved with dimethyl sulfoxide (DMSO) to prepare 20 mM of stock solutions, the stock solutions were subjected to 4-fold gradient dilutions with DMSO, with the initial concentration of 20 µM and a total of 8 concentration gradients. 20 nL of diluted compound was transferred to a 384-well plate using Echo 550 and 5 µL of ATX enzyme solution formulated with 4 × Tris-HCl reaction buffer to the well, then the 384-well plate was centrifuged at 1000 rpm for 1 min and pre-incubated for 1 min and pre-incubated at room temperature for 15 min. Subsequently, 5 µL of 16:0-LPC foumulated with the above 4 × reaction buffer and 10 µL of assay solution containng 2 × Amplex UltraRed reagent, choline oxidase and horseradish peroxidase (HRP) foumulated with the same reaction buffer were added to each well, then the 384-well plate was centrifugated at 1000 rpm for 1 min. The fluorescence signals were read at an excitation wavelength of 530 nm and an emission wavelength of 590 nm by Synergy 2 microplate reader. The inhibition rate of the compound against enzyme reaction was calculated according to the fluorescence intensity ratio, and IC50 of the compound was analysed and calculated by GraphPad Prism 5 software.
11481	2	hERG Inhibition Assay	Rapid activation of human delayed rectifier potassium current (IKr) is mainly mediated by hERG ion channel and participates in repolarization of human cardiomyocytes. Blocking this current with drugs will lead to QT interval prolongation syndrome in clinical practice, which will easily induce acute arrhythmia and even sudden death. In this study, the effects of compounds in several Examples on hERG potassium current were tested on stable cell lines transfected with the hERG potassium channel by using a manual patch clamp, in order to determine whether the test object has inhibitory effect on the hERG ion channel.
11482	1	ATR Inhibition Assay	Detection of ATR kinase activity utilized the Mobility shift assay to measure the phosphorylation of the substrate protein FAM-RAD17 (GL, Cat. No. 514318, Lot. No. P19042-MJ524315). The assay was developed and conducted at Chempartner. All the test compounds were dissolved in 100% DMSO at concentration of 20 mM, then prepare compounds and conducted the assay as follows: 1) Transfer 80 &#956;l 20 mM compound to 40 &#956;l of 100% DMSO in a 96-well plate.2) Serially dilute the compound by transferring 20 &#956;l to 60 &#956;l of 100% DMSO in the next well and so forth for a total of 10 concentrations.3) Add 100 &#956;l of 100% DMSO to two empty wells for no compound control and no enzyme control in the same 96-well plate. Mark the plate as source plate.4) Transfer 40 &#956;l of compound from source plate to a new 384-well plate as the intermediate plate.5) Transfer 60 nl compounds to assay plate by Echo.6) Add ATR kinase (Eurofins, Cat. No. 14-953, Lot. No. D14 JP007N) into Kinase base buffer (50 mM HEPES, pH 7.5; 0.0015% Brij-35; 0.01% Triton) to prepare 2 enzyme solution, then add 10 &#956;l of 2 enzyme solution to each well of the 384-well assay plate, incubate at room temperature for 10 min.7) Add FAM-RAD17 and ATP (Sigma, Cat. No. A7699-1G, CAS No. 987-65-5) in the kinase base buffer to prepare 2 peptide solution, then add 10 &#956;l to the assay plate.8) Incubate at 28 C. for specified period of time. Add 40 &#956;l of stop buffer (100 mM HEPES, pH 7.5; 0.015% Brij-35; 0.2% Coating Reagent #3; 50 mM EDTA) to stop reaction.9) Collect data on Caliper. Convert conversion values to inhibition values.Percent inhibition=(max&#8722;conversion)/(max&#8722;min)*100wherein max stands for DMSO control; min stands for low control.[1373]Fit the data in XLFit excel add-in version 5.4.0.8 to ob
11483	1	SYK Inhibition	YK protein is prepared from cDNA encoding human spleen tyrosine kinase and is expressed in insect cells using a baculovirus expression vector. The cDNA (IMAGE: 3542895) is purchased from Open Biosystems. The SYK kinase domain (residues 356-635) is amplified via PCR and cloned into plasmid pFastBac1 (Invitrogen) at BamHI/XbaI sites. Recombinant plasmid encoding Met-Ala-Lys-SYK(356-635)-HHHHHH is sequenced and transformed into E. coli DH10Bac strain. The recombinant bacmid DNA is isolated and transfected into Sf9 insect cells. Recombinant virus is harvested 72 h after transfection. High titer viral stock is prepared by infecting Sf9 cells at a multiplicity of infection (MOI) of approximately 0.01. A suspension of Sf9 cells (10 L) is infected with recombinant virus (MOI=5) and is incubated in a Wave Bioreactor (GE-Healthcare) for 48 h. The cells are harvested and stored at &#8722;80° C. To purify the expressed protein, the frozen Sf9 cells (10 L) are broken into small (<1 cm) particles and suspended in a lysis buffer (300 mL) containing 20 mM Tris (pH 7.6), 0.25 mM TCEP, 100 mM NaCl, 5% glycerol and a protease inhibitor. The suspension is stirred at RT until completely thawed, lysed an additional 2-4 min on a rotary blade homogenizer, and then centrifuged at 4200 g for 1 h. Following centrifugation, the supernatant is poured through cheese cloth and combined with a nickel chelating resin (Probond Resin , Invitrogen) which is pre-equilibrated in a wash buffer containing 10 mM Tris (pH 7.6), 0.25 mM TCEP, 300 mM NaCl, 5% glycerol, and 20 mM imidazole. The mixture is agitated for 3 h in a cold room and then centrifuged at 900 g for 10 min. The resin is dispersed in wash buffer (50 mL), centrifuged for 10 min at 900 g, re-dispersed in a small amount of wash buffer (5 mL), and then pour into a disposable Poly-Prep chromatography column, through which wash buffer is passed by gravity until no protein is observed in coomassie buffer (about 120 mL of wash buffer). An elution buffer (30 mL) containing 10 mM HEPES (pH 7.4), 150 mM NaCl, 10% glycerol, 5 mM DTT, and 400 mM imidazole is used to elute the SYK protein from the resin. The eluate is concentrated (5 mL) and further purified on a Superdex 200 column (1.2 mL/min for 160 min, 10 mM HEPES (pH 7.4), 10 mM NaCl, 10 mM MgCl, 0.1 mM EDTA, and 0.25 mM TCEP). The chromatographed fractions are run on SDS-PAGE and the requisite fractions are pooled and concentrated. Final delivery buffer is 10 mM HEPES (pH 7.4), 10 mM Methione, 150 mM NaCl, 10% glycerol, 5 mM DTT.
11484	1	Fluorescence Polarization (FP) Assays	Compounds of the present disclosure were evaluated for potency and selectivity in a fluorescence polarization (FP) assay that measures inhibition of SMAC peptide binding to ML-IAP. To measure SMAC peptide binding, multi-well plate format FP assays based on the ability of SMAC peptides to bind the BIR domains of several IAPs are used to generate IC50 and Ki values for analogues. The FP assays utilize plasmid constructs encoding various full length IAPs or fragments for expression as either GST or His6-fusion proteins in bacteria. Compounds are evaluated for activity against several members of the IAP family, including the BIR domains of XIAP, cIAP1 and cIAP2 in order to generate selectivity profiles of the compounds disclosed herein. These assays also enable the identification and characterization of potency profiles of ML-IAP binding.
11485	1	Evaluation of Compound Inhibitory Activity (IC50)	Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 uL/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 uL of compound working dilutions are added and mixed. Plates are incubated for 3 hours at 4 C., then washed with cold assay buffer (3x50 uL), incubated for 1 hour with 25 uL/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4 C., followed by further washing steps with assay buffer (3x50 uL). Finally, 25 L/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
11486	1	CD73 Enzyme Inhibition Assay	To evaluate the inhibitory effect of selected compounds on CD73, Malachite Green Phosphate Detection Kit (R&D, Cat #DY996) was used. Briefly, compounds were dissolved and diluted to the desired concentration using phosphate-free buffer (Tris-HCl, pH 7.3). 25 &#956;L of the compound solution was added to an equal volume of CD73 protein solution (2× concentration, 0.5 &#956;g/mL, Novoprotein, Cat #C446), followed by a 5-minute incubation at room temperature. 10 &#956;L of Malachite Green Reagent A was added to each well, mixed thoroughly and incubated for 10 minutes at room temperature. 10 &#956;L of Malachite Green Reagent B was then added to each well, mixed thoroughly and incubated for 20 minutes at room temperature. Finally, the optical density of each well was determined using a microplate reader set to 620 nm.
11486	2	CD73 Enzyme Inhibition Assay	Test compound solution preparation: Stock solution of a test compound was prepared in DMSO at 10 mM concentration. A series of preset 10-concentration solutions of a test compound were prepared by diluting the stock solution in 5-fold gradient dilution with DMSO. Assay buffer (lx): 20 mm Tris, 25 mM NaCl, 1 mM MgCl2, pH 7.5, 0.005% Tween-20 (freshly prepared, and ready for use). An aliquot of 0.25 uL of compound solution or DMSO (blank control) was added to each test well of a micro well plate. Recombinant human 5'-nucleotidase (hCD73) was diluted to 1 nM in assay buffer; and an aliquot of 25 uL hCD73 (1 nM) solution was added to the corresponding wells of the plate. The contents of the well were well-mixed, and the plate was covered with sealing film, centrifuged at 1000 rpm for 30 sec., followed by incubation at room temperature for 15 min. AMP, the substrate, was diluted to 60 uM concentration in the assay buffer. To each reaction well was added 25 uL of AMP solution. After mixing well, the plate was covered with sealing film, centrifuged at 1000 rpm for 30 sec., and incubated at 37 C. for 20 min. The absorbance signal (end point) was measured on SPARK plate reader at 635 nm (See PiColorLock Gold Phosphate Detection System (Abcam) test kit for reference).
11487	1	SERT Uptake Inhibition Assay	For the SERT uptake inhibition assay, 5 nM [3H]5-HT was used. To optimize uptake for a single transporter, unlabeled blockers were included to prevent the uptake of [3H]5-HT by competing transporters. Uptake inhibition was initiated by incubating synaptosomes with various doses of test compound and [3H]5-HT in Krebs-phosphate buffer. Uptake assay was terminated by rapid vacuum filtration and retained radioactivity was quantified with liquid scintillation counting, a principal constituent of psychoactive bath salts products.
11488	1	RIPK1 Binding Assay	A fluorescent probe containing an Oregon green fluorophore was synthesized from a compound known to bind to RIPK1.The assay was performed in a buffer containing 50 mM N-2-Hydroxyethylpiperazine-N&#8242;-2-ethanesulfonic acid (HEPES) (pH 7.5), 10 mM MgCl2, 1 mM ethylene diamine tetraacetic acid (EDTA), and 0.01% BRIJ-35 (Polyoxyethylene (23) lauryl ether). Test compounds were solvated in dimethyl sulfoxide (DMSO) at final concentrations 4-fold serially diluted from 100 to 0.000095 uM in technical duplicates into an empty 384 well plate. Recombinant RIPK1 (final concentration of 2.5 nM) was added to the wells and incubated with test compound for 1 hour at room temperature. A solution containing the fluorescent probe (final concentration 5 nM) and an LanthaScreen Tb-anti-GST antibody (Thermofisher Scientific; final concentration of 5 nM) was then added to each well, with the Tb-anti-GST antibody binding to the GST portion of the recombinant RIPK1 and providing the corresponding FRET pair to the fluorescent probe. The plate was incubated for 1 hour at room temperature and read on an Envision plate reader using a time resolved FRET protocol. Data was normalized and analyzed using Studies from Dotmatics.
11489	1	JAK2 LanthaScreen JH1 Binding Assay	JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein in a baculovirus expression system (Carna Biosciences, Product #08-445-20N). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH1 (1.5 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH1 Tracer and 0.5 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 2 hours at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11489	2	JAK2 LanthaScreen JH1 Binding Assay	JAK2 JH2-WT binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human Wild Type JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79463). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-WT (0.145 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LAB TECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11489	3	JAK2 LanthaScreen JH2-V617F Binding Assay	JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mutant JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79498). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 JH2-V617F (0.26 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11489	4	JAK2 HTRF Enzyme Activity Assay	JAK2 enzyme activity assays utilize catalytic domain (JH1, amino acids 808-1132) of human JAK2 expressed as N-terminal His-tagged protein in a baculovirus expression system (BPS Bioscience, Catalog #40450). The assays was conducted in black 384-well polystyrene plates in a final reaction volume of 20 &#956;L. JAK2 (0.015 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of ATP (30 &#956;M or 1 mM) and 500 nM Biotin-labeled EQEDEPEGDYFEWLE (SEQ ID NO.: 1) peptide (BioSource International, custom synthesis) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT) for 60 minutes at 25° C. The reactions were stopped by the addition of 10 &#956;L of detection buffer (50 mM Tris, pH 7.8, 0.5 mg/mL BSA, 150 mM NaCl), supplemented with EDTA, LANCE Eu-W1024 anti-phosphotyrosine (PY20), (PerkinElmer, Catalog #AD0067) and Streptavidin SureLight APC (PerkinElmer Catalog #CR130-100), for a final concentration of 15 mM, 1.5 nM and 75 nM, respectively. HTRF signals were read after 30 minutes incubation at room temperature on a PHERAstar FS plate reader (BMG LAB TECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
11490	1	The Alizarin Assay (ARS) (Glucose)	The alizarin-red binding assay is a colorimetric assay used to determine the inhibition affinity of boronate compounds to glucose. The assay is based on a colour shift of alizarin-red upon binding to boronate, which shift can be followed by change in absorbance in the 330-340 nm region. For determination of the inhibitory constant (Ki) between the boronate and the carbohydrate, 400 &#956;M of boronic acids is dissolved in a 20 mM phosphate buffer pH 7.4 under gentle stirring. Upon complete dissolution of the compound, 200 &#956;M of Alizarin red (ARS) is added to the solution. The ARS-boronate solution is then aliquoted into a 96 multiwell plate (black, flat and clear bottom) 1:1 with appropriate carbohydrate. In particular, D-glucose solutions are prepared in a 20 mM phosphate buffer pH 7.4 at these concentrations respectively: 1000, 500, 250, 100, 50, 25, 10, 5, 2.5, 1, 0.25, 0.1 mM and 2500, 1000, 500, 100, 50, 10, 5, 1, 0.5, 0.1, 0.05, 0.01 mM. The plate with ARS-boronate mixed with carbohydrate is incubated 20 minutes at room temperature. After 5 minutes of centrifugation at 4000 rpm the plate is placed in a multiwell spectrometer (Spectra Max, Molecular Devices) for absorption detection.
11490	2	The Alizarin Assay (ARS) (Lactate)	The alizarin-red binding assay is a colorimetric assay used to determine the inhibition affinity of boronate compounds to glucose. The assay is based on a colour shift of alizarin-red upon binding to boronate, which shift can be followed by change in absorbance in the 330-340 nm region. For determination of the inhibitory constant (Ki) between the boronate and the carbohydrate, 400 &#956;M of boronic acids is dissolved in a 20 mM phosphate buffer pH 7.4 under gentle stirring. Upon complete dissolution of the compound, 200 &#956;M of Alizarin red (ARS) is added to the solution. The ARS-boronate solution is then aliquoted into a 96 multiwell plate (black, flat and clear bottom) 1:1 with appropriate carbohydrate. In particular, L-lactate solutions are prepared in a 20 mM phosphate buffer pH 7.4 at these concentrations respectively: 1000, 500, 250, 100, 50, 25, 10, 5, 2.5, 1, 0.25, 0.1 mM and 2500, 1000, 500, 100, 50, 10, 5, 1, 0.5, 0.1, 0.05, 0.01 mM. The plate with ARS-boronate mixed with carbohydrate is incubated 20 minutes at room temperature. After 5 minutes of centrifugation at 4000 rpm the plate is placed in a multiwell spectrometer (Spectra Max, Molecular Devices) for absorption detection.
11491	1	Activity of Compounds to Inhibit PD-1/PD-L1 Interaction	Example 39: The experimental method and procedure were carried out in accordance with the kit instructions, which were briefly described as follows: The compounds were formulated into DMSO solutions of desired concentrations. Tagl-PD-L1, Tag2-PD-1 and compound solutions were diluted with diluent buffer to form working solutions, and anti-Tag1-Eu3+ and anti-Tag2-XL665 were diluted with detection buffer to form working solutions. White 384 shallow-well plates were used for the experiment, and 2 of compound working solution, 4 L of Tag1-PD-L1 working solution and 4 L of Tag2-PD-1 working solution were added in order to each well, and incubated at room temperature for 15 min; 10 L of a mixed solution formed by well mixing 5 L of anti-Tag1-Eu3+ working solution and 5 L of anti-Tag2-XL665 working solution was added to each well, and incubated for 2.5 h and detected; control groups were also set up in the experiment, wherein 2 L of diluent buffer was used to replace 2 L of compound working solution to form the Positive control, and 6 L of diluent buffer was used to replace 2 L of compound working solution and 4 L of Tag1-PD-L1 working solution to form the Negative control. Fluorescence intensities at emission wavelengths of 620 nm and 665 nm were detected under excitation light of 320 nm using Infinite F200 PRO from TECAN Company. HTRF value of each well=(fluorescence intensity at 665 nm/fluorescence intensity at 620 nm) 104, compound inhibition rate (%)=[1-(HTRF value of compound well HTRF value of Negative control well)/(HTRF value of Positive control well HTRF value of Negative control well)] 100%, and the inhibition rates of each compound at 8-10 concentrations were detected, and the IC50 was calculated using Prism software.
11491	2	Interaction between Compound and Human PD-L1 Protein	Example 40: In the experiment, the instrument OctectRED of Fortebio Company based on biofilm interferometry (BLI) technology was used to capture human PD-L1/AVI with SA chips. The concentration of antigen PD-L1/AVI was diluted to 10 &#956;g/mL with running buffer (PBS+0.02% Tween-20+2% DMSO), and the loading time was 300 s; similarly, the analyte was also diluted to the corresponding concentrations (20 nM, 10 nM, 5 nM, 2.5 nM, 1.25 nM, 0.625 nM, 0.3125 nM) with running buffer in gradient manner, and a buffer blank control group was set at the same time. The binding time of human PD-L1/AVI to the analyte was 180 s, and the dissociation time was 300 s; the chip was regenerated with 10 mM glycine HCl, pH 1.7 solution and repeated 5-second pulse for 3 times. The data were fitted to a 1:1 binding model to determine the equilibrium dissociation constant KD.
11492	1	Inhibition Activity Test of Compound on hERG Ion Channels	The reagents are purchased from Sigma (St. Louis, MO) except NaOH and KOH for acid-base titration. Final concentrations of tested solutions are prepared on the testing day and dissolved in extracellular fluid. The extracellular fluid (mM) contains: NaCl, 137; KCl, 4; CaCl2, 1.8; MgCl2, 1; HEPES, 10; glucose 10; pH 7.4 (NaOH titration). All the test solutions and the control solutions contain 0.3% DMSO. Intracellular fluid (mM) contains: K Aspartate, 130; MgCl2, 5; EGTA 5; HEPES, 10; Tris-ATP 4; pH 7.2 (KOH titration).
11493	1	Lipoxygenase-15 Assay (LO-15-Assay)	Briefly, reactions were carried out in Corning 96 half-well black, flat bottom assay plates and contained final concentrations of 50 &#956;M arachidonic acid (Cayman Chemical) as a substrate, 1:10 (v:v) cholate mix (2% (w:v) sodium cholate (Sigma-Aldrich) and 2% (v:v) DMSO with or without test compounds), 40 &#956;M dihydrorhodamine 123 (Sigma-Aldrich) and 1:200 lipoxygenase-15 enzyme (soybean enzyme from Lipoxygenase Inhibitor Screening Assay Kit Item No. 760700 (Cayman Chemical)) in 100 mM Tris-HCl, pH 7.5. Cholate mix contained 2% (w:v) sodium cholate dissolved in 2% (v:v) DMSO. Cholate mix is used for the positive control wells (100% enzymatic activity). Due to the fact, that test compound stocks were dissolved in 100% DMSO, cholate mix was adjusted (sodium cholate was dissolved in water) and test compound DMSO stocks were further diluted with this solution in order to keep the final DMSO concentration in reaction below 0.2% and equal in all wells. Assay buffers and DMSO were deoxygenated to keep test compounds in the reduced state**. Stock solutions of test compounds were prepared in DMSO and then diluted to final assay concentrations in cholate mix such that final cholate and DMSO concentrations were maintained at 0.2%. Reactions were initiated by the addition of 50 &#956;L of enzyme mix (80 &#956;M dihydrorhodamine 123 and 1:100 lipoxygenase-15 enzyme in 100 mM Tris-HCl, pH 7.5) to wells containing 50 L substrate and cholate mix in 100 mM Tris-HCl, pH 7.5 and linear rates were assessed by measuring fluorescence, using excitation/emission of 485/535 nm on a Hidex Sense microplate reader every 10 seconds for 5 minutes at room temperature. First minute was used as a complete linear range for calculations of IC50 values using GraphPad Prism software. For initial run compounds were tested at 100 &#956;M and 10 &#956;M concentrations and IC50 values were determined for compounds where Lipoxygenase-15 activity in the presence of 10 &#956;M compound was below 50% of vehicle control.
11494	1	cAMP Assay	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays were used to measure the activity of the compounds in this patent. FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 &#956;M final for FPR2 or 10 &#956;M final for FPR1) and IBMX (200 &#956;M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 &#956;M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham&#39;s) medium supplemented with 10% qualified FBS, 250 &#956;g/ml zeocin and 300 &#956;g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco&#39;s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm.
11495	1	LRRK2 Km ATP LanthaScreen Assay	The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA) using GST-tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide, also from Life Technologies. The data presented for the Km ATP LanthaScreen Assay represents mean IC50 values based on several test results and may have reasonable deviations depending on the specific conditions and reagents used. Assays were performed in the presence of 134 &#956;M ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 &#956;M in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 &#956;l of a 1.25 nM enzyme solution in 1 assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 &#956;l of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 &#956;M ATP solution in 1 assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 &#956;l of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation of 1 hour at room temperature, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm.
11496	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 µM for a final concentration of 100 µM) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 µM final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 µl. Either 1 µl of 50% DMSO or diluted compound was added to the plate. USP30 (Boston Biochem #E582) was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to achieve a final assay concentration of 4 nM, and 10 µl of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
11497	1	CDK6 Kinase Activity Analysis and Detection Method	Table 1: In the test plate, protein kinase, Ulight-labeled polypeptide substrate, ATP, and the compounds were mixed and the reaction was incubated. EDTA was then added to stop the reaction and europium (Eu) chelate-labeled antibody was added for detection. Analysis in this experiment was performed using Envision instrument from PerkinElmer Co., Ltd. in TR-FRET mode. After excitation at a wavelength of 320/340 nm, a fluorescence signal at a wavelength of 665 nm and 615 nm could be emitted. Eu could be transferred to the adjacent fluorescent substance ULight receptor by energy transfer, and then the emitted light was detected.
11497	2	DYRK2 Kinase Activity Analysis and Detection Method	The DYRK2 kinase inhibitory activity of the compounds of the invention were measured. The method was briefly described as follows (for specific methods, see Banerjee S, Wei T, Wang J, et al. Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression[J]. Proceedings of the National Academy of Sciences, 2019, 116(49): 24881-24891): 1) Compounds with different concentrations were added into a 384-well plate, and re-dissolved, followed by the addition of DYRK2 protein, the substrate Woodtide (KKISGRLSPIMTEQ) and 33P-&#947;ATP, and the mixture were mixed evenly. 2) The mixture was incubated for 30 minutes at room temperature.3) 0.5 M (3%) orthophosphoric acid solution was added to terminate the reaction, and then the mixture was transferred to P81 plate and washed with 50 mM orthophosphoric acid solution. 4) IC50 results were calculated using GraphPad Prism software.
11498	1	Inhibition of PARG Enzymatic Assay (TR-FRET)	PARG enzyme was incubated with compound or vehicle (DMSO) and the biotinylated-PARylated PARP-1 substrate in a microtiter plate. After adding detection antibody and streptavidin-europium, and then incubating, the plate was read for fluorescence intensity. The low control (DMSO) with low fluorescence intensity represents no inhibition of enzymatic activity, while the high control (no enzyme) with high fluorescence intensity represents full inhibition of enzymatic activity.Materials:Enzyme:PARGhPARG: 250 pM, 1-976, His-tagged, Proteos, 2.0 mg/mL (17.9 &#956;M)Substrate: 30 nMTest Compound/Enzyme Pre-incubation time: 1 hrEnzyme/Substrate Reaction time: 10 minutesSubstrate: hPARP1, His6-TEV tagged, 1.2 mg/mL (10.3 &#956;M)Detection Antibody: anti-His monoclonal antibody-ULight, Perkin Elmer catalog #TRF0134-MStreptavidin-Europium: Perkin Elmer catalog #AD0062Assay Buffer: 50 mM Tris-HCL pH 7.4, 50 mM KCL, 3 mM EDTA, 0.4 mM EGTA, 1 mM DTT, 0.01% Tween 20, 0.01% BSATemperature: 23° C.Total reaction volume: 20 &#956;LControls:0% inhibition: DMSO100% inhibition: No enzymeEnzyme reaction and Detection:1. Transfer 200 nL of 100× compound or DMSO to the appropriate wells of a 384 well white polystyrene microtitre plate (Corning Catalog #3574).2. Transfer 10 uL of 2× final concentration of enzyme in assay buffer or assay buffer alone to the appropriate wells.3. Centrifuge the plate at 1000 rpm for 30 seconds.4. Incubate the plate at room temperature for 1 hour.5. Transfer 10 uL of 2× substrate in assay buffer to all test wells.6. Incubate the plate at room temperature for 10 minutes7. Transfer 10 uL of 3× mixture of 42 nM detection antibody and 2.25 nM streptavidin-europium in 50 mM Tris-HCL pH 7.4 to all test wells.8. Incubate the plate at room temperature for 1 hour.9. Read the plate on a plate reader (Envision)Excitation: 317 nMEmission: 620 nMEmission: 665 nM
11499	1	In Vitro Receptor Binding Activity of Human Toll-Like Receptor 7 (TLR7) and Human Toll-Like Receptor 8 (TLR8)	1. The compound was added to a cell plate in a 3-fold gradient, with 10 concentrations (5000 nM, 1667 nM, 556 nM, 185 nM, 62 nM, 21 nM, 6.9 nM, 2.3 nM, 0.76 nM, and 0.25 nM) obtained, and two duplicate wells were set for each concentration. 1 L of DMSO was added to each negative control well. 2. The cells cultured in a T150 flask were taken out from a CO2 incubator, and the cell culture supernatant was discarded. The resulting cells were washed once with Dulbecco s phosphate buffered saline (DPBS). The flask was added with about 10 mL of the culture medium, and tapped to detach the cells. The resulting cell mass was gently pipetted evenly. The cells were counted and the cell suspension was adjusted to 500,000 cells/mL with the culture medium. Then 100 L of diluted cells (50,000 cells/well) were added to each well of a 96-well plate containing the compound. 3. The compound and cells were co-incubated in an incubator at 37 C. with 5% CO2 for 24 hours. 4. Activity assay on the compound: 20 L of the induced cell supernatant from each well was added to a cell culture plate containing 180 L of QUANTI-Blue reagent, and after incubation at 37 C. for 1 hour, the optical density absorbance at 650 nm (OD650) was assayed for each well using a multi-functional microplate reader. 5. Activity assay on the cells: luciferase signal (RLU) was detected using a multi-functional microplate reader as per the process described in the instructions of ATPlite 1 Step. 6. Data analysis: compound activity: OD650 values were analyzed using a GraphPad Prism software and the dose-response curves of the compound were fitted to calculate EC50 values (half maximal effect concentration) for the compound.
11500	1	In Vitro Enzymatic Activity Inhibition Test (TGFbetaR1)	(Promega), the inhibitory effect of the compounds of the present invention on the enzymatic activity of TGF&#946;R1 was determined, and the steps were as follows: TGF&#946;R1 enzyme were pre-incubated with different concentrations of test compounds (1000 nM, 100 nM, 10 nM) at 30 C. for 30 min, TGF&#946;R1 peptide and adenosine triphosphate (ATP) were added to initiate the reaction. The incubation was performed at 30 C. for 3 h, followed by an addition of ADP-Glo reagent and incubated at room temperature for 90 min, kinase detection reagent was then added. Chemiluminescence signal values were detected after incubation at room temperature for another 30 min. 
11500	2	In Vitro Enzymatic Activity Inhibition Test (TGFbetaR2)	Experimental method: According to the instructions of ADP-Glo Kinase Detection Kit (Promega), the inhibitory effect of the compounds of the present invention on the enzymatic activity of TGF&#946;R2 was determined, and the steps were as follows: TGF&#946;R2 enzyme were pre-incubated with different concentrations of test compounds (1000 nM, 100 nM, 10 nM) at 30 C. for 30 min, myelin basic protein (MBP) and adenosine triphosphate (ATP) were added to initiate the reaction. The incubation was performed at 30 C. for 3 h, followed by an addition of ADP-Glo reagent and incubated at room temperature for 90 min, kinase detection reagent was then added. The chemiluminescence signal values were detected after incubation at room temperature for another 30 min. 
11500	3	Biochemical hERG Inhibition Assay	1. Test System: Kit: Predictor hERG fluorescence polarization detection kit (ThermoFisher), the kit contained the following components: positive control compound hERG potassium channel blocker E4031; hERG cell membrane; affinity tracer Tracer; and hERG buffer. 2. Test Parameters: hERG concentration: 1 ; Tracer concentration: 1 nM; incubation time: 2 h; BMG PHERAstar FS FP. 3. Test Method: The test was carried out according to the kit instructions, and the steps were as follows: Test group: 10 &#956;M and 1 &#956;M of the test compound were added to the microplate containing hERG cell membrane, the Tracer (a tracer with high hERG affinity) was added to each well, the microplate was incubated at room temperature for 2 hours, and a multi-plate reader was used to detect changes of fluorescence polarization values (excitation wavelength: 540 nm; emission wavelength: 590 nm). Positive control group: 30 &#956;M positive control compound E4031 was used to replace the test compound, and the experimental method was the same as that of the test group. Blank control group: hERG buffer was used to replace the test compound without the addition of hERG cell membrane, and the experimental method was the same as that of the test group. 4. Data Processing: According to the data ratio, the percent inhibition rates (%) of the compounds of the present invention to hERG at different concentrations were calculated, and the ranges of the half inhibitory concentration (IC50) of the compounds were determined.
11500	4	CYP Enzyme (Cytocrome P450) Inhibition Assay	3.2. Inhibition of CYP2D6: Test group: The test compound of different concentration was added to the microplate, and Luciferin-ME EGE (3 &#956;M), K3PO4 (100 mM) and CYP2D6 (5 nM) were added to each well, and pre-incubated at room temperature for 10 mM, followed by an addition of the NADPH regeneration system, and reacted at 37° C. for 30 min, an equal volume of detection buffer was added at last, and incubated at room temperature for 20 mM, and then chemiluminescence detection was performed. Negative control group: The experimental method was the same as that of the test group, but the test compound was not added. Blank control group: The experimental method was the same as that of the test group, but the test compound was not added, and CYP2D6 Membrance (5 nM) was used instead of CYP2D6. 3.3. Inhibition of CYP3A4: Test group: The test compound of different concentration was added to the microplate, Luciferin-IPA (3 &#956;M), K3PO4 (100 mM) and CYP3A4 (2 nM) were added to each well, and pre-incubated at room temperature for 10 mM, followed by an addition of the NADPH regeneration system, and reacted at room temperature for 30 min, an equal volume of detection buffer was added at last, and incubated at room temperature for 20 mM, and then chemiluminescence detection was performed.Negative control group: The experimental method was the same as that of the test group, but the test compound was not added.Blank control group: The experimental method was the same as that of the test group, but the test compound was not added, and CYP3A4 Membrance (2 nM) was used instead of CYP3A4.
11501	1	Kinase Inhibitory Assay	Table 32: The reagent used was as follows: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.016 Brij35, 0.02 mg/ml BSA, 0.1 mM NaVO4, 2 mM DTT, 10 DMSO. Required cofactors were added individually to each kinase reaction.The reaction procedure was as follows:1) Substrates were prepared in freshly prepared Reaction Buffer.2) Any required cofactors were delivered to the substrate solution above.3) Kinase was delivered into the substrate solution and gently mixed.4) Compounds were delivered in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), followed by incubation for 20 min at room temp.5) 33P-ATP was delivered into the reaction mixture to initiate the reaction.6) The mixture was incubated for 2 hours at room temperature.7) Kinase activity was detected by P81 filter-binding method.
11501	2	Kinase Binding Assay	Table 33 and 34: Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1x binding buffer (20% SeaBlock, 0.17× PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111×stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions were performed in polypropylene 384-well plates. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1× PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1× PBS, 0.05% Tween 20, 0.5 &#956;M nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.Binding constants (Kds) were calculated with a standard dose-response curve using the Hill equation.
11502	1	CDK1/CyclinB1 Enzyme Reaction System	Enzymes, substrates, ATP, and inhibitors were diluted by kinase buffer in the kit. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 50 &#956;M to 0.65 nM, the concentration of DMSO was 5%, and a double-hole experiment was set up. 1 &#956;L of each concentration gradient of inhibitors, 2 &#956;L of CDK1/CyclinB1 enzyme (12.5 ng), 2 &#956;L mixture of substrate and ATP (25 &#956;M adenosine triphosphate, 0.2 &#956;g/&#956;L substrate) were added to the microplates, and the final concentration gradient of the compound was 10 &#956;M to 0.13 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 &#956;L of ADP-Glo reagent was added to each well, the reaction was carried out at 25° C. for 40 minutes, after the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, the reaction was carried out at 25° C. for 30 minutes, the multiple label analyzer was used to read the chemiluminescence with an integration time of 0.5 seconds.
11502	2	CDK2/CyclinA2 Enzyme Reaction System	Enzymes, substrates, ATP, and inhibitors were diluted by kinase buffer in the kit. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 50 &#956;M to 0.65 nM, the concentration of DMSO was 5%, and a double-hole experiment was set up. 1 &#956;L of each concentration gradient of inhibitors, 2 &#956;L of CDK2/CyclinA2 enzyme (1.6 ng), 2 &#956;L mixture of substrate and ATP (50 &#956;M ATP, 0.1 &#956;g/&#956;L substrate) were added to the microplates, and the final concentration gradient of the compound was 10 &#956;M to 0.13 nM. The reaction system was reacted at 25° C. for 60 minutes. After the reaction, 5 &#956;L of ADP-Glo reagent was added to each well, the reaction was carried out at 25° C. for 40 minutes, after the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, the reaction was carried out at 25° C. for 30 minutes, the multiple label analyzer was used to read the chemiluminescence with an integration time of 0.5 seconds
11502	3	CDK2/CyclinE1 Enzyme Reaction System	Enzymes, substrates, ATP, and inhibitors were diluted by kinase buffer in the kit. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 50 &#956;M to 0.65 nM, the concentration of DMSO was 5%, and a double-hole experiment was set up. 1 &#956;L of each concentration gradient of inhibitors, 2 &#956;L of CDK2/CyclinE1 enzyme (2 ng), 2 &#956;L mixture of substrate and ATP (150 &#956;M ATP, 0.1 &#956;g/&#956;L substrate) were added to the microplates, and the final concentration gradient of the compound was 10 &#956;M to 0.13 nM. The reaction system was reacted at 25° C. for 60 minutes. After the reaction, 5 &#956;L of ADP-Glo reagent was added to each well, the reaction was carried out at 25° C. for 40 minutes, after the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, the reaction was carried out at 25° C. for 30 minutes, the multiple label analyzer was used to read the chemiluminescence with an integration time of 0.5 seconds.
11502	4	CDK4/CyclinD1 Enzyme Reaction System	Preparation of Kinase Buffer: The composition of the buffer: 50 mM of hydroxyethylpiperazine ethanesulfonic acid solution at pH 7.5, 1 mM of ethylenediaminetetraacetic acid, 10 mM of magnesium chloride, 0.01% Brij-35, and 2 mM of dithiothreitol. Enzymes, substrate LANCE Ultra ULight -4E-BP-1(Thr37146) Peptide, ATP, and inhibitors were diluted by kinase buffer. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 40 &#956;M to 0.512 nM, the concentration of DMSO was 4%, and a double-hole experiment was set up. 2.5 &#956;L of each concentration gradient of inhibitors and 5 &#956;L of CDK4/CyclinD1 enzyme (0.5 ng) were added to the microplates, after the reaction was carried out at 25 C. for 60 minutes, 2.5 &#956;L mixture of substrate and ATP (350 &#956;M ATP, 12.5 nM substance) were added, and the final concentration gradient of the compound was 10 &#956;M to 0.128 nM. The reaction system was reacted at 25 C. for 120 minutes. After the reaction, 5 &#956;L mixture of EDTA and 2 LANCE Detection Buffer (1:1) were added to each well, the reaction was carried out at 25 C. for 5 minutes, after the reaction was completed, 5 &#956;L of LANCE Ultra Eu-anti-P-4E-BP1(Thr37MS) (4 nM) was added to each well, the reaction was carried out at 25 C. for 60 minutes, the reaction signal was detected by Nivo instrument according to the principle of time-resolved fluorescence resonance energy transfer.
11502	5	CDK6/CyclinD1 Enzyme Reaction System	Preparation of Kinase Buffer: The composition of the buffer: 50 mM of hydroxyethylpiperazine ethanesulfonic acid solution at pH 7.5, 1 mM of ethylenediaminetetraacetic acid, 10 mM of magnesium chloride, 0.01% Brij-35, and 2 mM of dithiothreitol. Enzymes, substrate LANCE Ultra ULight -4E-BP-1(Thr37146) Peptide, ATP, and inhibitors were diluted by kinase buffer. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 40 &#956;M to 0.512 nM, the concentration of DMSO was 4%, and a double-hole experiment was set up. 2.5 &#956;L of each concentration gradient of inhibitors and 5 &#956;L of CDK6/CyclinD1 enzyme (0.5 ng) were added to the microplates, after the reaction was carried out at 25 C. for 60 minutes, 2.5 &#956;L mixture of substrate and ATP (250 &#956;M ATP, 12.5 nM substance) were added, and the final concentration gradient of the compound was 10 &#956;M to 0.128 nM. The reaction system was reacted at 25 C. for 120 minutes. After the reaction, 5 &#956;L mixture of EDTA and 2 LANCE Detection Buffer (1:1) were added to each well, the reaction was carried out at 25 C. for 5 minutes, after the reaction was completed, 5 &#956;L of LANCE Ultra Eu-anti-P-4E-BP1(Thr37MS) (4 nM) was added to each well, the reaction was carried out at 25 C. for 60 minutes, the reaction signal was detected by Nivo instrument according to the principle of time-resolved fluorescence resonance energy transfer.
11502	6	CDK7/CyclinH/MAT1 Enzyme Reaction System	Enzymes, substrates (MBP), ATP, and inhibitors were diluted by kinase buffer in the kit. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 50 &#956;M to 0.65 nM, the concentration of DMSO was 5%, and a double-hole experiment was set up. 1 &#956;L of each concentration gradient of inhibitors, 2 &#956;L of CDK7/CyclinH/MAT1 enzyme (20 ng), 2 &#956;L mixture of substrate and ATP (10 &#956;M ATP, 0.1 &#956;g/&#956;L substrate) were added to the microplates, and the final concentration gradient of the compound was 10 &#956;M to 0.13 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 &#956;L of ADP-Glo reagent was added to each well, the reaction was carried out at 25° C. for 40 minutes, after the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, the reaction was carried out at 25° C. for 30 minutes, the multiple label analyzer was used to read the chemiluminescence with an integration time of 0.5 seconds.
11502	7	CDK9/CyclinT1 Enzyme Reaction System	Enzymes, substrates, ATP, and inhibitors were diluted by kinase buffer in the kit. The compounds to be tested were diluted 5-fold with a multi-channel pipette to the eighth concentration, that is, from 50 &#956;M to 0.65 nM, the concentration of DMSO was 5%, and a double-hole experiment was set up. 1 &#956;L of each concentration gradient of inhibitors, 2 &#956;L of CDK9/CyclinT1 enzyme (4 ng), 2 &#956;L mixture of substrate and ATP (100 &#956;M ATP, 0.2 &#956;g/&#956;L substrate) were added to the microplates, and the final concentration gradient of the compound was 10 &#956;M to 0.13 nM. The reaction system was reacted at 25° C. for 120 minutes. After the reaction, 5 &#956;L of ADP-Glo reagent was added to each well, the reaction was carried out at 25° C. for 40 minutes, after the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, the reaction was carried out at 25° C. for 30 minutes, the multiple label analyzer was used to read the chemiluminescence with an integration time of 0.5 seconds.
11503	1	Cannabinoid Receptors Displacement Assay	The highly potent and nonselective CB agonist CP55,940 binds to the same orthosteric active site where known CB agonists are known to bind. In preliminary screening, all 17 synthetic PBD compounds (4a-4q) were subjected to in vitro CB1 and CB2 binding assays at a single concentration of 10 &#956;M. The observed percentage displacement (%) of the radioligand at the CB receptors of these analogs are summarized in Table 2. From the 17 compounds evaluated in the competitive radioligand assay, compounds 4h, 4j-4l, and 4q showed significant displacement (more than 60%). Among them, two structurally distinct PBD analogs (4k and 4q) displayed the greatest [3H]CP-55,940 displacement and selectivity for CB2 over CB1. Therefore, the most promising ligands (4k and 4q) were selected for assessment in full competition curves against CB1 and CB2. The binding assays revealed selective binding affinity of 4k and 4q with Ki values of 146 and 137 nM, respectively, toward CB2 receptors (Table 3).
11504	1	SAE High Throughput Biochemical Assay Protocol	Assay buffer was prepared [50 mM HEPES, pH 7.5, 0.1% BSA and 10 mM MgCl2] as was the Stop Buffer [100 mM HEPES, pH 7.5, 0.05% Tween20, and 410 mM KF]. The 2x Reaction Buffer [80 nM SUMO-GST, 80 nM UBC9-His, 200 µM ATP and diluted in Assay Buffer] and Antibody Reaction Mix [13.34 nM anti-GST XL665, 1.66 nM anti-His EuK and Diluted in Stop Buffer] were also prepared. Compounds were dissolved at 200x in DMSO in a 384-well plate. Serial dilutions were performed in DMSO for each compound, and then each concentration was diluted another 50-fold in Assay Buffer, to 4x the final concentration. 2.5 µL of each concentration was transferred into its own well in a 384-well plate. SAE1 was then diluted to 4x in Assay Buffer, and 2.5 µL of 4x SAE1 was mixed into each compound-containing well. After incubating for 15 minutes at room temperature, 5 µL of 2x Reaction Buffer was mixed into every well. Then after another 45 minutes at room temperature, 10 µL of Antibody Reaction Mix was added and mixed into every well. This plate was then read on an HTRF-compatible plate reader after 2 hours at room temperature, and again after sitting at room temperature overnight. [Final Component Concentrations: SAE1: 12.5 nM ; SUMO-GST: 40 nM ; UBC9-His: 40 nM ; Anti-GST-XL665: 6.67 nM ; Anti-His-EuK: 0.83 nM ; and ATP: 100 µM].
11505	1	DNMT1 Scintillation Proximity Assay (SPA)	This assay used Scintillation Proximity technology in a signal increase format to evaluate the potency of compounds. Full-length human DNMT1, hemi-methylated DNA duplex*, and tritiated SAM were utilized to monitor activity. Assay plate creation consisted of the following parameters: 500 nL of an 11 pt, 3-fold serial dilution of compound was stamped into a 96 well Costar plate (#3884). Assay buffer mix was made on the day of assay consisting of: 20 mM Tris pH 7.5, 1 mM DTT, 1 mM EDTA, and 5% glycerol. A 2× enzyme mix was then prepared consisting of 30 nM DNMT1 protein (full length human DNMT, made in house) in assay buffer. The 2× substrate mix was made last, and consisted of 160 nM 40mer hemi-methylated DNA*, 0.48 &#956;M 3H-SAM, and 2.92 &#956;M cold SAM in assay buffer (3H-SAM is added last). The quench (1 mM SAH) was made in bulk and frozen at &#8722;20 until the time of use. Ten uL of the 2× substrate mix was added to the entire plate using a multichannel electronic pipette. Plate was shaken for at least 10s between additions to ensure mixing. Next, 20 uL of 2× quench mix was added to column 12 using a multichannel pipette (shake plate). Using a multichannel electronic pipette, 10 uL of 2× enzyme mix was added to the full plate starting with column 11 and moving to column 10 (column 12 last to avoid pre-quench carryover). Plates were incubated on the shaker for 30 minutes with the plate covered. At the end of the incubation period, 20 uL of quench mix were added to all wells except column 12 (shake plate) followed by the addition of 20 uL of 3 mg/mL PerkinElmer PEI PVT SPA Beads (Cat. #RPNQ0097) diluted in DNAse free water and allowed to shake for at least 30 minutes. Plates were sealed with a clear seal and centrifuged at 500 rpm for 1 min. Plates were read on a MicroBeta (Perkin Elmer, read for 3H (1 min/well).
11505	2	Scintillation Proximity Assay (SPA) Assay B (Human Truncated DNMT1(601-1600))	This assay used Scintillation Proximity technology in a signal increase format to evaluate the potency of compounds. Human truncated DNMT1(601-1600), single hemi-methylated CpG site oligonucleotide, and Tritiated SAM were utilized to monitor activity. Assay plate creation consisted of the following parameters: 10 mM Compounds (11-point, 3-fold serial dilution) were stamped at 100 nL per well (100× in 100% DMSO) into a Griener white LV 384 well plate (#784075). Assay buffer mix was made on the day of assay consisting of: base buffer: (500 mM Hepes, ph 8, 1M MgCl2 made in advance, stored at room temp as a stock), 10% NP40-Surfact AMPS, 10% Ultrapure BSA 50 mg/ml, and 2M DTT (DL-Dithiolthreitol). The 2× enzyme mix was then prepared consisting of: DNMT1 protein (truncate human DNMT1&#151;601-1600, made in house at 16.876 uM stock concentration) added to the assay buffer mix. The 2× substrate mix was made last, and consists of: 1 mM 40-mer hemi-methylated DNA Oligonucleotide, 12.5 uM 3H-SAM (Adenosyl-L-Methionine-S-[methyl-3H] Specific Activity 55-85 Ci/mmol) and 32 mM solution of S-Adenosyl-L-Methionine (this was diluted to 1 mM in Nuclease Free-H2O before adding to substrate mix) added into the assay buffer mix (3H-SAM is added last). Five uL of the assay buffer mix was dispensed into column 18 ONLY using a Thermo Multidrop combi. Next, 5 uL of the 2× Enzyme mix was dispensed to columns 1-17, 19-24 using a Thermo Multidrop combi. Then 5 uL of the 2× Substrate mix was dispensed to the full plate using a Thermo Multidrop combi. Plates were stacked and incubated for 40 minutes with a cover plate over the top plate. The quench mix was made around the 25 minute mark of the incubation step, which consisted of: 32 mM solution of S-Adenosyl-L-Methionine & PerkinElmer PEI PS Imaging Beads (Cat. #RPNQ0098)(10 mg/ml) into Nuclease Free-H2O. The quench mix was vortexed prior to use to get the beads in solution. After the 40 minute incubation, 10 uL of the quench mix was dispensed to the full plate using a Thermo Multidrop combi. Plates were sealed with a clear seal and centrifuged at 1000 rpm/1 min and dark adapted for 30 minutes. Plates were read on a Viewlux (PerkinElmer, 613 nm emission filter, 300 sec dual-exposure, (10 min. total read time)).
11506	1	Furin Enzyme Assay	Reactions were performed in black 384-well polystyrene low volume plates (Greiner). Furin (108-574-Tev-Flag-His) enzyme was expressed and purified from CHO cells. Compounds of the invention were dissolved in DMSO (1.0 mM) and serially diluted 1 to 3 with DMSO through eleven dilutions to provide a final compound concentration range from 0.00017 to 10 &#956;M. 0.05 &#956;L of each concentration was transferred to the corresponding well of an assay plate, and then 5 &#956;L of 40 pM furin enzyme in assay buffer (100 mM HEPES pH7.5, 1 mM CaCl2 and 0.005% Triton X-100) was added using a Multidrop Combi (Thermo) to the compound plates, and mixed by inversion. Following a 30 min preincubation of enzyme with compound at room temperature (22° C.), the substrate FAM-QRVRRAVGIDK-TAMRA (SEQ ID NO:1) (5 &#956;L of a 1 pM solution in assay buffer) was added using a Multidrop Combi to the entire assay plate. The plates were centrifuged at 500×g for 1 minute and incubated at room temperature for two hours. Enzyme inhibition is then quantified using an Envision instrument (PerkinElmer). Data were normalized to maximal inhibition determined by 1 &#956;M Decanoyl-Arg-Val-Arg-Lys-Chloromethylketone (SEQ ID NO:2) (Calbiochem #344930 or AnaSpec #808143).
11507	1	BRD9 Bromodomain TR-FRET Competition Binding Assay	A mixture of biotinylated-ligand and SureLight Allophycocyanin-Streptavidin (APC-SA, PerkinElmer AD0201) in 50 mM HEPES (pH 7.4), 50 mM NaCl, 1 mM TCEP (pH 7), 0.01% (v/v) Tween-20, 0.01% (w/v) bovine serum albumin was added to a white 384-well PerkinElmer Proxiplate Plus plate. DMSO or 3-fold serially diluted compounds were then added to the Proxiplate followed by addition of Flag-BRD9. After a 10 minute incubation at room temperature, Eu-W1024 anti-FLAG (PerkinElmer, AD0273) was added. The final reaction mixture that contained 3.75 nM biotinylated ligand, 3 nM Flag-BRD9, 7.5 nM SureLight Allophycocyanin-Streptavidin, and 0.2 nM Eu-W1024 anti-FLAG was incubated at room temperature for 90 minutes.The plates were then read on a PerkinElmer Envision plate reader to determine the ratio of emission at 665 nm over 615 nm.
11508	1	High-throughput screening (HTS) Assay	High-throughput screening (HTS) typically uses automated assays to search through large numbers of compounds for a desired activity. High throughput methods enable researchers to assay thousands of different chemicals against each target molecule very quickly using robotic handling systems and automated analysis of results. As used herein, high throughput screening or HTS refers to the rapid in vitro screening of large numbers of compounds (libraries); generally tens to hundreds of thousands of compounds, using robotic screening assays. Ultra high-throughput screening (uHTS) generally refers to the high-throughput screening accelerated to greater than 100,000 tests per day. To achieve high-throughput screening, it is advantageous to house samples on a multicontainer carrier or platform. A multicontainer carrier facilitates measuring reactions of a plurality of candidate compounds simultaneously. Multi-well microplates may be used as the carrier. Such multi-well microplates, and methods for their use in numerous assays, are both known in the art and commercially available. In an embodiment, the biosensors described herein may be used to detect field populations of aphids.
11509	1	In Vitro Inhibitory Activity Evaluation of Human Wild-type and V804M Mutant RET Kinase	The inhibitory activity of the test compounds against human wild-type and V804M mutant RET kinase was evaluated by measuring IC50 values in a 33P-labeled kinase activity assay (Reaction Biology Corp). Buffer conditions: 20 mM hydroxyethyl-piperazine-ethanesulfonic acid (Hepes) (pH 7.5), 10 mM MgCl2, 1 mM ethylene glycol-bis(aminoethyl ether)-tetraacetic acid (EGTA), 0.02% polyoxyethylene lauryl ether (Brij35), 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM dithiothreitol (DTT), and 1% DMSO. Compound handling: testing compounds were dissolved in 100% DMSO to specific concentration. Serial dilution can be conducted using Integra Viaflo Assist in DMSO. Procedures: the substrate was dissolved in freshly prepared Reaction Buffer, the test kinase was added into the substrate solution and gently mixed. Compounds in DMSO were added into the above kinase reaction mixture by Acoustic technology (Echo550) and incubate for 20 minutes at room temperature. The concentrations of the compounds in the reaction solutions were 3 &#956;M, 1 &#956;M, 0.333 &#956;M, 0.111 &#956;M, 0.0370 &#956;M, 0.0123 &#956;M, 4.12 nM, 1.37 nM, 0.457 nM and 0.152 nM. After incubation for 15 min, 33P-ATP (Specific activity of 0.01 &#956;Ci/&#956;L, Km concentration) was added into the reaction mixture to initiate the reaction. The reaction was conducted for 120 minutes at room temperature, and radioactivity was detected by filter-binding method. Kinase activity data can be expressed as the percent remaining kinase activity in test samples compared to vehicle (DMSO only) reactions. IC50 values and curve fits can be obtained using Prism4 (GraphPad Software). 
11510	1	CYP46A1 Enzyme Assay	Briefly, in a 384-well plate format, 10 uL per well of an enzyme-substrate mixture of CYP46A1 (5 uM final concentration) and Testosterone (10 mM final concentration) were dispensed to wells containing test compound. For CYP46A1 titration, 5 uL per well of serially diluted CYP46A1 (concentrations including 10 uM, 5 uM, and 2.5 uM) and Testosterone (concentration of 10 mM) were dispensed. For Testosterone titration, 5 uL per well of serially diluted Testosterone (concentrations including 10 uM, 5 uM, and 2.5 uM) and CYP46A1 (concentration of 5 uM) were dispensed. The plates were centrifuged at 1000 rpm for 30 seconds, and then sealed and incubated at 37 C. for 30 minutes. The plate was removed from the incubator, and then 10 uL per well of NADPH-generating system were dispensed to initiate the reaction. The plates were incubated at 37 C. for 15 minutes, added with 80 uL per well of 100% methanol consisting 1 ng/ml diclofenac as internal standard, and then transferred for HPLC-MS.
11511	1	Qube Assay 	Compounds were tested on human NaV1.8 and NaV1.5 channels stably expressed in human embryo kidney (HEK) 293 cells. Sodium current measurements on Qube were conducted as follows: automated 384-well patch-clamp assays on the Qube platform (Sophion Biosciences) were used to measure the inhibition of sodium flow through human NaV1.8 and NaV1.5 channels. Whole-cell voltage-clamp recordings were performed in QChips (Sophion Biosciences) at room temperature. NaV1.8 current measurements on Qube were obtained as follows: NaV1.8 currents were elicited with a 10 second 1 Hertz (Hz) pulse train from a holding potential of &#8722;90 millivolts (mV), delivered to the cells once per minute in the control condition (DMSO only) and after compound addition. The 1 hertz pulse train stimulation consisted of ten test pulses to 10 millivolt (mV) for 20 milliseconds (ms), each of which was followed by a 980 millisecond repolarization to &#8722;67 millivolts. At the end of the 10 second pulse train stimulation, a 5 second hyperpolarization step to &#8722;100 millivolt (mV) was used to recover NaV1.8 from fast inactivation. The peak currents elicited by the 1st and 10th test pulses were used to determine IC50 values for resting inhibition and inactivated state inhibition. NaV1.5 current measurements on Qube were obtained as follows: NaV1.5 currents were elicited with a 20 second 3 Hertz pulse train in the control condition (DMSO only) and after compound addition. The pulse train consisted of sixty 20 millisecond test pulses to 0 millivolt from a holding potential of &#8722;80 millivolt (mV). The average peak currents elicited by the last 3 test pulses were used to determine IC50 values for NaV1.5 inhibition. The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 Dextrose; External buffer for Qube NaV1.5 recording: 120 N-Methyl-D-Glucamine, 40 NaCl, 1 KCl, 2.7 CaCl2, 5 HEPES, 0.5 MgCl2; and Internal buffer for Qube recording: 120 CsF, 30 CsCl, 10 EGTA, 5 HEPES, 5 NaF, 2 MgCl2.
11512	1	Kinase (PDGFR&#945;, PDGFR&#946;, ABL1 and FLT3) Inhibition Test of Compounds	The method adopted in the test was Caliper Mobility Shift Assay, which was a detection platform based on the mobility detection technology of microfluidic chip technology. Test steps: 1.25 kinase reaction buffer (62.5 mmol/L HEPES, pH 7.5; 0.001875% Brij-35; 12.5 mmol/L MgCl2; 2.5 mM DTT) and kinase reaction stop solution (100 mmol/L HEPES, pH 7.5; 0.015% Brij-35; 0.2% Coating Reagent #3) were configured. 10 &#956;L of 2.5 kinase solution (adding kinase in 1.25 kinase reaction buffer) was added into 5 &#956;L of compound solution with 5 concentration (dissolved in DMSO, diluted 10 times with water), incubated at room temperature for 10 minutes, then added with 10 &#956;L of 2.5 substrate peptide solution (adding FAM labeled peptide and ATP in 1.25 kinase reaction buffer), reacted at 28 C. for a specific time, and then added with 25 &#956;L of kinase reaction stop solution. Collected data was tested on Caliper to yield that inhibition ratio to kinase activity=(max&#8722;conversion)/(max&#8722;min) 100. max was DMSO control without adding compound, and min was low control.
11513	1	Surface Plasmon Resonance (SP1R)	As the device, Biacore T200 (manufactured by GE Healthcare) was used. VHL was obtained by co-expressing Elongin B and Elongin C with a Twin-Strep-tag added to the N-terminus. As the sensor chip, Sensor chip CM5 (manufactured by GE Healthcare) was used. First, Strep-Tactin XT (manufactured by GE Healthcare) was immobilized on the sensor chip by amine coupling. Thereafter, VHL was immobilized using the affinity of Strep-Tactin XT and Twin-Strep-tag, and VHL was further immobilized on the sensor chip by amine coupling. As the running buffer, a mixed solution of 20 mM HEPES pH 7.5, 150 mM NaCl, 1 mM TCEP, 0.005% Tween 20, and 2% DMSO was used. Solutions of various compound concentrations of the test compounds (compounds described in Examples 1 to 162 above) were flowed on the sensor chip with VHL immobilized thereon at a flow rate of 30 uL/min under 25° C. conditions, and changes in mass on the sensor chip were observed. The Contact time and the Dissociation time were determined according to the properties of the compounds. For many compounds, 60 seconds and 120 seconds were respectively used. The observed data was analyzed using Biacore T200 Evaluation software Version 2.0 (manufactured by GE Healthcare) and the Kd value for VHL of each compound was calculated.
11514	1	hFAP Inhibition Assay	Table 1: Compounds were tested in a biochemical inhibition assay using hFAP enzyme at 0.24 nM FAC (Proteros, 38-760 (PR-0071)) and the substrate Ala-Pro-AMC (ARI-3144) at 20 &#956;M FAC. 384 low volume black plates (Greiner #784076) were used. 4 &#956;L, 0.48 nM enzyme solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to 40 nL compounds (in DMSO) at 10 CR, 3 fold dilution series from 50 &#956;M FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 40 &#956;M substrate solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 30 min at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener . IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model.
11514	2	hFAP Inhibition Assay (Tight Binders)	Table 1: Compounds were tested in a biochemical inhibition assay using human Fibroblast activation protein alpha (hFAP) enzyme at 2.4 pM FAC (Proteros, 38-760 (PR-0071) and the substrate Ala-Pro-AMC (ARI-3144) at 20 &#956;M FAC. 384 low volume black plates (Greiner #784076) were used. 4 &#956;L, 4.8 pM enzyme solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to 40 nL compounds (in DMSO) at 10 CR, 3 fold dilution series from 50 nM FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 40 &#956;M substrate solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 2.5 h at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener .
11514	4	hPrep Inhibition Assay	Table 3: Compounds were tested in a biochemical inhibition assay using Prolyl endopeptidase, Prolyl Oligopeptidase (hPREP) enzyme at 0.6 nM FAC (R&D Systems, 4308-SE) and the substrate Z-Gly-Pro-amino-methylcoumarin (Bachem, I-1145) at 50 &#956;M FAC. 384 Low volume black plates (Greiner #784076) were used. 4 &#956;L, 1.2 nM enzyme solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to 40 nL compounds (in DMSO) at 10 CR, 3 fold dilution series from 50 &#956;M FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 100 &#956;M substrate solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 20 min at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener . IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model.
11514	5	hDPP7 Inhibition Assay	Table 4: Compounds were tested in a biochemical inhibition assay using human dipeptidylpeptidase 7 (hDPP7) enzyme at 15 nM FAC (BPS Bioscience, #80070) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience, #80305) at 5 &#956;M FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 &#956;L DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3 fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the highest compound concentration was 100 &#956;M FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 1% DMSO as 0% control and no enzyme as 100% inhibitor control.
11514	6	hDPP8 Inhibition Assay	Table 4: Compounds were tested in a biochemical inhibition assay using human dipeptidylpeptidase 8 (hDPP8) enzyme at 1.5 nM FAC (BPS Bioscience, #80080) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience #80305) at 5 &#956;M FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 &#956;L DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3 fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the highest compound concentration was 100 &#956;M FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism.
11514	7	hDPP9 Inhibition Assay	Table 4: Compounds were tested in a biochemical inhibition assay using human dipeptidylpeptidase 9 (hDPP9) enzyme at 0.4 nM FAC (BPS Bioscience, #80090) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience #80305) at 5 &#956;M FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 &#956;L DPP assay buffer (BPS Bioscience, #80300). Compound solutions (in DMSO) at 10 CR, 3 fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the highest compound concentration was 100 &#956;M FAC and the concentration of DMSO was 1% in all wells. The plates were read on a Tecan Infinite M1000 microplate reader with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism.
11515	1	RAF Inhibition Assay	Assay protocol: the inhibitory effects of the compounds of the present invention on the wild-type BRAF enzyme, mutant CRAF enzyme (RAF1 Y340D and Y341D) and mutant BRAF enzyme (BRAF-V600E) activity were determined according to the instructions of the TB-PMAP2K1 (PSER217/221) kit (ThermoFisher). Different RAF enzymes and substrates (FLUORESCEIN-MAP2K1) were pre-incubated with test compounds at various concentrations at room temperature for 15 min, and then the adenosine triphosphate (ATP) was added to initiate the reaction. After incubation at room temperature for 60 min, EDTA and Tb-labeled anti-pMAP2K1 [pS217/221] antibody solutions were added, and incubation was performed at room temperature for 60 min before the detection of the fluorescence values of the compounds in each group. With the vehicle group (DMSO) as the negative control and the buffer group (without RAF enzyme) as the blank control, the relative inhibitory activity percentage (i.e., the inhibition rate) of a compound at different concentrations was calculated according to the following formula:Relative inhibitory activity percentage=1&#8722;(Compound group at various concentrations&#8722;blank control)/(negative control&#8722;blank control)*100%. The relative inhibitory activity percentages of the compounds at different concentrations were plotted against the compound concentrations, the curve was fitted according to a four-parameter model, and the IC50 value was calculated according to the following formula:y=min+(max&#8722;min)/(1+(x/IC50){circumflex over (&#8195;)}(&#8722;Hillslope))wherein y is the relative inhibitory activity percentage, max and min are respectively the maximum and minimum values of the fitted curve, x is the logarithm concentration of the compound, and Hillslope is the slope of the curve.
11516	1	Evaluation of the in Vitro Anti-Novel Coronavirus Mpro Protease Activity	The compound was dissolved in DMSO, and diluted in a 3-fold gradient with Echo655 according to the concentration requirements to 10 concentration points, and duplicate tests were set at each concentration, and the diluted solution was added to a 384-well plate. Mpro protein and substrate were diluted with test buffer (100 mM NaCl, 20 mM Tris-HCl, 1 mM EDTA), and Mpro protein was added to the 384-well test plate, incubated with the compound for 30 min at room temperature, and then the substrate was added thereto, and the test concentration of Mpro protein was 25 nM, and the test concentration of substrate was 25 µM. After incubating for 60 minutes in a 30° C. constant temperature incubator, the fluorescence signal value of Ex/Em=340 nm/490 nm was detected by microplate reader. At the same time, the background well containing the substrate and compound but not containing Mpro protein was detected as control.
11517	1	In Vitro Assay	Inhibition of LIMK1 and LIMK2. Inhibition of LIMK1 and LIMK2 was measured with Lanthascreen Eu binding assay (Life Technologies). This TR-FRET assay is based on the competition between a fluorescent tracer and the inhibitor to be tested, allowing the determination of an inhibition constant, Ki. 133 compounds have been tested. A dozen of these compounds have their Ki below 10 nM, and about fifty below 50 nM. These results are very promising, as Ki values of the reference compounds LIMKi3 and LX7101 are 8 and 3.9 nM, respectively, and the Pyr1 compound tested on breast cancer tumors has an IC50 of 50 nM on LIMK1 and 75 nM on LIMK2.
11518	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 µM for a final concentration of 100 µM) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 µM final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 µl. Either 1 µl of 50% DMSO or diluted compound was added to the plate. USP30 (Boston Biochem #E582) was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to achieve a final assay concentration of 4 nM, and 10 µl of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an iso-peptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). &#955; Excitation 540 nm; &#955; Emission 590 nm.
11519	1	Autotaxin (ATX) Enzymatic Activity Inhibition Assay	The inhibitory activity of the compound against the Autotaxin enzyme was detected using the Autotaxin Inhibitor Screening Assay Kit (Cayman, 700580). The compound to be tested was first prepared into 10 mM stock solution in DMSO solvent, and then serially diluted into 8 concentrations of compound with DMSO. Subsequently, 8 concentrations of compound were diluted to 19× compound working solution (with DMSO content of 1.9%) with an Autotaxin Assay buffer (1×) provided in the kit. Autotaxin Assay Reagent (10×) was taken out and diluted 10-fold with Autotaxin Assay Buffer (1×). The Autotaxin Substrate was taken out, and added with 1.2 mL of Autotaxin Assay Buffer (1×) for dissolving. The mixture was mixed well and then let stand at room temperature. In a 96-well plate, 150 &#956;L of Autotaxin Assay Buffer (1×), 10 &#956;L of diluted 19× compound working solution, 10 &#956;L of Autotaxin Assay Reagent (1×), 20 &#956;L of dissolved Autotaxin Substrate were added into wells at each concentration, and then the mixture was mixed well, incubated at 37° C. on a constant-temperature shaking shaker, and incubated in the dark for 30 min.
11520	1	Biological Assay	Compounds of the present disclosure were tested in a 10-dose IC50 mode with a 3-fold serial dilution starting from 0.5 &#956;M, and the control compound Staurosporine was tested in a 10-dose IC50 mode with a 4-fold serial dilution starting from 20 &#956;M. Reactions were carried out in the presence of 10 &#956;M ATP. Conditions and Protocol: Procedures:1. Compounds were prepared in freshly prepared reaction buffers containing 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/ml, BSA, 0.1 mM Na3VO4, 2 mM DTT, and 1% DMSO.2. Required cofactor such as 1 &#956;g (1.5 &#956;M) of recombinant retinoblastoma protein in the case of CDK subtypes was added to the substrate solutions as mentioned above.3. Kinase such as 10 ng of recombinant CDK4/cyclin D1 (Life Technologies PV4204) diluted in a kinase buffer (20 mM Tris pH7.5, 10 mM MgCl2, 0.01% NP-40, 2 mM DTT), and incubated at room temperature for 30 minutes together with indicated concentration of inhibitors.4. Compounds in DMSO were added into the kinase reaction mixture utilizing acoustic technology (Echo550).5. 33P-ATP (specific activity 0.01 &#956;Ci/&#956;l final) was added into the reaction mixture to initiate the reaction.6. The reaction mixture was incubated for 120 minutes at room temperature.7. Reactions are spotted onto P81 ion exchange paper (Whatman #3698-915).8. Filters were extensively washed with 0.75% phosphoric acid.9. The radioactive phosphorylated substrate remaining on the filter paper was measured.
11521	1	PLK1 Inhibition Assay	Compounds were screened for their ability to inhibit Plk1 using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 25 mM HEPES (pH 7.5), 10 mM MgCl2, 25 mM NaCl, and 2 mM DTT. Final substrate concentrations were 20 &#956;M [&#947;-33P]ATP (35mCi 33P ATP/mmol ATP, Perkin Elmer/Sigma Chemicals) and 9 uM Sam68 protein. Assays were carried out at room temperature in the presence of 15 nM Plk1. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 0.75 &#956;L of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 10 &#956;M with 2-fold serial dilutions final DMSO concentration 1.5%) was placed in a 384 well plate followed by addition of 25 &#956;L [&#947;-33P]ATP (final concentration 20 &#956;M). The reaction was initiated by addition of 25 &#956;L of the assay stock buffer solution. The reaction was stopped after 45 minutes by the addition of 25 &#956;L 30% trichloroacetic acid (TCA) containing 10 mM cold ATP. The entire quenched reaction was transferred to a 384-well glass fiber filter plate (Millipore, Cat no. MZFBNOW50). The plate was washed with 3 5% TCA. After drying, 40 &#956;L of Ultima Gold liquid scintillation cocktail (Perkin Elmer) was added to the well prior to scintillation counting in a PerkinElmer TopCount.
11522	1	MALT-1 Biochemical Assay	A Quenched Fluorescence Resonance Energy Transfer (Quench-FRET) enzyme assay was used to test the ability of exemplary MALT-1 inhibitors Example 1 to Example 39 to inhibit the cleavage of a MALT1 specific quenched fluorescent substrate of sequence [TAMRA-PEG2-Leu-Val-Ser-Arg-Gly-Ala-Ala-Ser-PEG2-K(QSY7) by human MALT-1 protein; where TAMRA is 6-carboxytetramethylrhodamine, PEG2 is 2-(2-(2-aminoethoxy)ethoxyamide linker, QSY7 is a non-fluorescent quenching dye (Thermo-Fisher catalog #Q10193). The assay was performed by pre-dispensing compounds into 384 well Proxiplates (PE 6008289). Human MALT-1 (6 nM) was prepared using the assay buffer (25 mM HEPES pH 7.5, 1 mM ethylenediaminetetraacetic acid, 0.8 M sodium citrate, 0.005% Bovine serum albumin (BSA), 2 mM dithiothreitol (DTT)) and added to the compound plates. The plates were incubated 40 minutes at room temperature. The reaction was carried out by adding the substrate (2 &#956;M) to the plates and incubating for 60 minutes at room temperature. A fluorescence readout was then measured using a PE EnVision reader (Ex.535/Em.590). The results of the enzyme assay are provided subsequently in Table 2 and demonstrate the ability of the compounds of the present disclosure to inhibit MALT-1 protease activity.
11523	1	DYRK1A Kinase Activity Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturers instructions (Life Technologies- a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission. Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1X Kinase buffer to final concentrations of 0.25 µg/mL, 15 µM, and 4 µM respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated (0% Control) and phosphorylated (100% control) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1uM top) was run to serve as a positive compound control.vAfter incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11524	1	Human ACMSD-1 Inhibitor Assay	A solution of 7.8 &#956;g/ml 3-hydroxyanthranilate 3,4-dioxygenase (3-HAO) with protein dilution buffer (50 mM 4-Morpholineethanesulfonic acid MES pH 6.0) and a solution of 6 &#956;g/ml Human 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase (human ACMSD) with protein dilution buffer (50 mM MES pH 6.0) were prepared separately. A serial 2-fold dilution of test compounds, from 512 nM until 0.5 nM were prepared. To a 96-well plate was added 50 &#956;l of 7.8 &#956;g/ml 3-HAO and 50 &#956;l of 2× working solution (50 &#956;M 3-hydroxyanthranilic acid (Sigma 148776), 2 mM ammonium iron(II) sulfate hexahydrate (Sigma V900031), in 50 mM MES pH 6.0) to start the reaction. The plate was placed into a SpectraMax Plus 384 Microplate Reader, Molecular Devices with the temperature set to 28° C. The absorbance at 360 nm for 10 min with 10 seconds interval was monitored and recorded. To a 96-well plate was added 50 &#956;l of 6 &#956;g/ml human ACMSD with series concentrations of the test compound. The absorbance was recorded at 360 nm for 10 min with 10 seconds interval. The data was analyzed in GraphPad Prism 6. A four-parameter dose-response curve was fitted. &#147;Hill Slope&#148; was constrained between &#8722;0.5 and &#8722;3, and such constrains was indicated when applied.
11525	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	HTRF cAMP assays were performed using commercially available assay kits according to the manufacturer&#39;s instructions (cAMP Dynamic 2 Assay Kit; #62AM4PEJ, Cisbio Bioassays, Bedford, Mass.). An aliquot of CHO-K1 cells stably expressing recombinant human GPR52 is thawed and resuspended in cell buffer (1 PBS (w/o Ca2+/Mg2+)) at a density of 4 105 cells per mL Test compounds were solubilized in DMSO to 10 mM stock solutions and serially diluted in DMSO using 6-fold dilutions to generate 8-point dose response curves. These serially diluted samples were then diluted 1:50 in compound dilution buffer (1 PBS (w/o Ca2+/Mg2+) containing 0.5 mM IBMX, 0.1% BSA) to achieve a 4 stock. The diluted compounds were transferred (5 &#956;L per well) in duplicate to the 384-well assay plate (Optiplate #6007290, PerkinElmer, Waltham, Mass.). Both a positive (reference compound) and negative (non-stimulated vehicle) control are included in each assay run in column 23. The cell suspension was subsequently dispensed into the 384-well assay plates at 15 &#956;L per well (6000 cells) such that the compound was diluted to 1 . Column 24 on the plates did not receive cells and was reserved for a cAMP standard curve. After a one-hour incubation at room temperature, 10 &#956;L of cAMP D2 reagent followed by 10 &#956;L of cryptate reagent (provided in the Cisbio kit) was added to each well. Plates were then incubated at room temperature for one hour prior to reading. Time-resolved fluorescence measurements were collected on an EnVision HTRF plate reader (PerkinElmer, Waltham, Mass.). Counts from the plate reader were fit to the cAMP standard curve included on each plate to determine the amount of cAMP in each test well. 
11526	1	JAK/TYK2 Assay	10 mM test compound stock or 1 mM control compound stock (tofocitinib, ruxolitinib or staurosporine) in DMSO was diluted to 0.4 mM in DMSO. A 3-fold series dilution was then performed in DMSO to generate 10 different compound concentrations. The assay was carried out in 384-well white plate. 0.5 uL of 40× compound DMSO solution at different concentrations was mixed with 10 uL 2× enzyme prepared in reaction buffer (20 mM HEPES, 10 mM MgCl2, 0.01% Tween, 1 mM DTT, pH 7.5). 10 uL 2× substrate mixture prepared in reaction buffer was then added to start the reaction. A short spin was done to settle down all solutions to the bottom of the plate. Final concentrations of test compound in the reaction mixture were 10000, 3333, 1111, 370, 123, 41.2, 13.7, 4.57, 1.52 and 0.51 nM. Concentrations of control compound were ten times less. Enzymatic reaction was conducted at 25° C. for 1-2 hours. 10 uL of Kinase Glo Reagents was added to stop the reaction and generate the luminescent signal which was measured using Envision.
11527	1	FGFR2 Biochemical Caliper Assay	Compounds of the present invention were also tested in a FGFR2 Biochemical Caliper Assay. Compounds were prepared in 10 mM DMSO solution and serially diluted into 11 concentrations by 3-fold dilution. Into a 384 well plate were added 200 nL of compound solution and 15 uL of 1.3× enzyme solution (FGFR2 protein (0.06 nM), FLPeptide30 (1.5 uM), MgCl2 (10 mM)) was added and the plate was incubated at room temperature for 30 minutes. 5 uL of ATP solution (100 uM) was added to start the reaction and the plate was incubated for 90 minutes, then 70 uL of stopping buffer (0.5M EDTA) was added to terminate the reaction. Each well was analyzed using EZ reader.
11528	1	Inhibition of ENPP1 Hydrolysis of 2&#8242;,3&#8242;-cGAMP	Assay 1: Test compounds were plated in a 3 dilution scheme in a 384 well plate. To 50 nL of test compound in DMSO was added 2.5 &#956;L ENPP-1 ECD in Assay Buffer (Tris-HCl pH 8.0 (50 mM), NaCl (150 mM), and 0.01% Triton X-100 in water (2.5 nM final concentration). Enzyme was omitted in control wells reserved to define maximum inhibition (max). Control wells were reserved to define no inhibition (min), and DMSO was used in place of compound solution. The plate was centrifuged for 30 s, and the mixture was incubated for 30 min. 2.5 &#956;L of 2,3-cGAMP in Assay Buffer (final conc: 24 &#956;M; KM=24 &#956;M) was added and the plate was centrifuged and incubated for 30 min. AMP-Glo Reagent I (Promega Corp.; 5 &#956;L) was added, the plate was centrifuged for 1 min and incubated for 60 min. AMP Detection solution (100 &#956;L) was added to each well, the plate centrifuged and incubated for 60 min. Luminescence was measured with an Envision plate reader, and % Inhibition was calculated for each well as: (([max&#8722;min]&#8722;[test&#8722;min])/[max&#8722;min]. 
11528	2	Inhibition of ENPP1 Hydrolysis of 2&#8242;,3&#8242;-cGAMP	Assay 2: Compared to the conditions in Assay 1, this assay has a larger dynamic range and ensures the system is under steady-state conditions by reducing the enzyme concentration in the assay. This allows discrimination among very potent compounds and allows for conversion of IC50 data to KIs.Test compounds were plated in a 3× dilution scheme in a 384 well plate. To 50 nL of test compound in DMSO was added 2.5 &#956;L ENPP-1 ECD in Assay Buffer (Tris-HCl pH 8.0 (50 mM), NaCl (150 mM), and 0.01% Triton X-100 in water (0.25 nM final ENPP-1 concentration). Enzyme was omitted in control wells reserved to define maximum inhibition (max). Control wells were reserved to define no inhibition (min), and DMSO was used in place of compound solution. The plate was centrifuged for 30 s, and the mixture was incubated for 30 min. 2.5 &#956;L of 2,3-cGAMP in Assay Buffer (final conc: 24 &#956;M; KM=24 &#956;M) was added and the plate was centrifuged and incubated for 30 min. AMP-Glom Reagent I (Promega Corp.; 5 &#956;L) was added, the plate was centrifuged for 1 min and incubated for 60 min. AMP Detection solution (10 &#956;L) was added to each well, the plate centrifuged and incubated for 60 min. Luminescence was measured with an Envision plate reader, and % Inhibition was calculated for each well as: (([max &#8722;min]&#8722;[test&#8722;min])/[max&#8722;min].
11529	1	LRRK2 Wild-Type and G2019S Kinase Activity Assay	The LRRK2 kinase was obtained from Invitrogen (Life Technologies Corporation) and comprises residue 970 to 2527 of the full length human wild-type LRRK2 kinase, or a similar sequence with the G2019S mutation. As discussed above, this mutation increases the kinase activity relative to the wild type. The kinase reactions were performed in a 20 uL volume in 384-well plates. The kinase reaction buffer consisted of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT.In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase in kinase reaction buffer was incubated with the test compound (typically at 0 to 30 uM) for 30 minutes before the kinase reaction was initiated by addition of 1.3 mM ATP and 0.4 uM fluorescein-LRRKtide. The reaction mixture (20 ul total volume) was incubated for 3.5 h (for LRRK2 WT) and 3 h (for LRRK2 G2019S) at 30 C., before the reaction was terminated by addition of 10 mM EDTA and 1 nM terbium-labelled anti-phospho-LRRKtide antibody (final volume 20 ul). The mixture was further incubated for 30 minutes at RT. TR-FRET was measured by excitation of the terbium-donor with 340 nm light and subsequent (delay time 100 us) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a time window of 1000 us. The measurement was repeated 30 times for fluorescein and 30 times for terbium emission with a 1000 us time window between repeats. TR-FRET measurements were performed on a Biotek Synergy plate. The TR-FRET signal was calculated as the emission-ratio at 520 nm over 495 nm.
11530	1	Biochemical JAK and Off-Target Kinase Assay	Biochemical JAK and Off-Target Kinase Assays.  A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies.Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 M, 3 M, 1.6 &#956;M, and 10 M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.For dose-response analysis, percent inhibition data were plotted vs. compound concentrations, and IC50 values were determined from a 4-parameter robust fit model with the Prism software (GraphPad Software). Results were expressed as pIC50 (negative logarithm of IC50) and subsequently converted to pKi (negative logarithm of dissociation constant, Ki) using the Cheng-Prusoff equation.
11531	1	Protein Kinase C beta 2 (PKCpII) Assay	Protein Kinase C beta 2 (PKCpII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate peptide (A&#8594;S, RFARKGSLRQKNV). This transfer is coupled to the oxidation of &#946;-NADH through the activities of Pyruvate Kinase (PK) and Lactate Dehydrogenase (LDH). &#946;-NADH conversion to NAD+ is monitored by the decrease in absorbance at 340 nm (e=6.22 cm&#8722;1 mM&#8722;1) using a Molecular Devices SPECTRA max PLUS spectrophotometer.A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of assay buffer containing 50 mM HEPES, pH 7.4, 5 nM PKC, 23 units of pyruvate kinase, 33 units of lactate dehydrogenase, 0.15 mM peptide, 0.1 mM ATP, 1 mM DTT, 4 mM PEP, 8 mM MgCl2, 0.3 mM NADH, 60 mM CaCl2), 10 mg/mL PS, 50 ng/mL PMA, 7.5% DMSO and from about 10,000 nM to 0.169 nM compound inhibitor. Stock solutions of 3-sn-phosphatidyl-L-serine (PS) and phorbol-12-myristate-13-acetate (PMA) were sonicated for 30 seconds just prior to addition to assay buffer and assays were initiated by the addition of 100 &#956;M ATP.
11532	1	PHD2 Enzymatic Assay	Compound DMSO stock preparation: All compounds were reconstituted into 20 mM stock by DMSO.Compound storage: All compounds in DMSO were stored at RT in a desiccator for short-term storage (up to 3 months). Leftover compounds were store at &#8722;20 for longer term.Working Stock Preparation:Reference Roxadustat (FG-4592) was 3-fold serial diluted from 400 &#956;M for 10 doses in DMSO.The compounds were 3-fold serial diluted from 400 &#956;M for 10 doses in DMSO.Prepared 200 positive control (400 &#956;M, FG-4592) and 200 vehicle control (100% DMSO).Centrifuged compound plates at 1000 rpm for 1 min.Compound Screening:a) Transferred 40 nl compound dilutions into each well of assay plates using Echo 655;b) Sealed the assay plate and centrifuge compound plates at 1000 rpm for 1 min.c) Prepared and add 4 &#956;L of the 2 PHD2 enzyme working solution to individual well of the assay plate.d) Sealed the assay plate and centrifuge compound plates at 1000 rpm for 1 min. Incubate plate at RT for 30 min.e) Prepared and add 4 &#956;l 2 PHD2 substrate working solution to each well of the assay plate.f) Prepared and added 4 &#956;L 4 stop solution to the each well of the assay plate.g) Prepared 4 detection solution with AlphaScreen Streptavidin Donor beads, AlphaScreen Protein A Acceptor beads and Hydroxy-HIF-1&#945; (Pro564) (D43B5) XP Rabbit mAb.h) Added 4 &#956;L 4 detection solution to the each well of the assay plate. repeat at step d.i) Read Alphascreen signal on Envision HTS plate reader.
11533	1	Vps34 Biochemical Assay	Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds were further diluted to 4 times the assay concentration in assay buffer (Life technologies buffer Q, PV5125, diluted 5 times supplemented with 2 mM DTT and 2 mM MnCl2). 2.5 &#956;l of the diluted compounds were added to a 384 well assay plate followed by 2.5 &#956;l of 16.5 nM Vps34 enzyme (Life technologies, PV5126). Enzyme and compounds were pre-incubated at rt for 15 min. Then 5 &#956;l of substrate mix containing 20 &#956;M ATP (Life technologies, PV3227) and 200 &#956;M PI:PS substrate (Life technologies, PV5122) in assay buffer was added to the wells containing compound and enzyme. Mixing was performed by pipetting several times. The reaction was incubated at room temperature for 1 h. Then 5 &#956;l stop-detection mix, prepared as described in the Adapta kinase assay kit instructions (Life technologies, PV5099) containing Adapta Eu-anti-ADP antibody (2.3 nM), Alexa Fluor 647 ADP tracer (9 nM) and EDTA (30 mM) in TR-FRET buffer, was added to quench the reaction. Mixing was performed by pipetting several times. The assay plate was then incubated at room temperature for 30 min and read with Artemis micro plate reader. Percent inhibition of the compounds as compared to DMSO treated control samples was calculated.
11534	1	CDK2/Cyclin E1 Full Length Mobility Shift Assay	The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1 full length catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide FL-Peptide-18 (5-FAM-QSPKKG-CONH2, CPC Scientific, Sunnyvale, CA) (SEQ ID NO:1). The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Wild-type CDK2/wild-type full length Cyclin E1 enzyme complex was produced in-house (baculoviral expression, LJIC-2080/LJIC-2103) and phosphorylated by CDK7/Cyclin H1/Mat1 enzyme complex with CDK2:CDK7 ratio of 50:1 (concentration mg/mL) in the presence of 10 mM MgCl2 and 5 mM ATP at room temperature for one hour. Typical reaction solutions (50 L final reaction volume) contained 2% DMSO ( inhibitor), 4 mM MgCl2, 1 mM DTT, 150 M ATP (ATP Km = 67.4 M), 0.005% Tween-20, 3 M FL-Peptide-18, and 0.36 nM (catalytically competent active site) phosphorylated wild-type full length CDK2/Cyclin E1 enzyme complex in 25 mM HEPES buffer at pH 7.15. The assay was initiated with the addition of ATP, following a fifteen minutes pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 45 minutes at room temperature by the addition of 50 L of 80 mM EDTA.
11534	2	CDK4/Cyclin D1 Mobility Shift Assay	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (± inhibitor), 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% TW-20, 3 µM 5-FAM-Dyrktide, 3 nM (active sites) activated CDK4/Cyclin D1 in 40 mM HEPES buffer at pH 7.5. Inhibitor Ki determinations for activated CDK4/Cyclin D1 (2007 E1/2008 +PO4) were initiated with the addition of ATP (50 µL final reaction volume), following an eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 195 minutes by the addition of 50 µL of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable.
11534	3	CDK6/Cyclin D3 Mobility Shift Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyses the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (SEQ ID NO:2). The mobility shift assay electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (± inhibitor), 2% glycerol, 10 mM MgCl2, 1 mM DTT, 3.5 mM ATP, 0.005% Tween 20 (TW-20), 3 µM 5-FAM-Dyrktide, 4 nM (active sites) activated CDK6/Cyclin D3 in 40 mM HEPES buffer at pH 7.5. Inhibitor Ki determinations for activated CDK6/Cyclin D3 (LJIC-2009G1/2010 +PO4) were initiated with the addition of ATP (50 µL final reaction volume), following an eighteen minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 95 minutes by the addition of 50 µL of 30 mM EDTA. Ki determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the Morrison equation with the enzyme concentration as a variable. 
11535	1	AKT Kinase Activity Assay	a) first, a compound stock solution (10 mM DMSO solution) was diluted with DMSO to obtain a 100 µM compound solution, the compound solution was diluted with the 1× kinase reaction buffer to obtain a 2.5 µM compound working solution (containing 2.5% DMSO). A 2.5% DMSO solution was prepared from the 1× kinase reaction buffer, and the 2.5 µM compound working solution was diluted 7 times with the 2.5% DMSO solution according to a 4-fold gradient to obtain compound working solutions at 8 concentrations (2500 nM, 625 nM, 156 nM, 39 nM, 9.8 nM, 2.4 nM, 0.6 nM, and 0.15 nM). Except for control wells, 4 µL of diluted compound working solution was placed in each reaction well, and 4 µL of previously prepared 2.5% DMSO/kinase buffer was placed in each control well. b) 2 µL of previously prepared TK-biotin substrate solution (the concentration of the substrate for enzyme screening is shown in Table 1) was placed in each reaction well. c) 2 µL of previously prepared enzyme solution (the concentration of the enzyme is shown in Table 1) was placed in each reaction well except for negative wells, and 2 µL of 1× kinase reaction buffer corresponding to the enzyme was placed in each negative well to make up the volume. The plate was sealed with a sealing film, and the reaction solution was mixed until uniform and incubated at the room temperature for 10 min to allow the compound to fully react with and bind to the enzyme. d) 2 µL of ATP solution was placed in each reaction well to initiate a kinase reaction (the concentration of ATP for enzyme screening and reaction time are shown in Table 1). e) 5 min before the kinase reaction was completed, an assay solution was prepared. Streptavidin-XL665 and a europium-labeled tyrosine kinase substrate antibody (1: 100) assay solution (the concentration of the assay reagent is shown in Table 1) were prepared from the assay buffer in the kit. f) After the kinase reaction was completed, 5 µL of diluted streptavidin-XL665 was placed in each reaction well and mixed with the reaction solution until uniform, and the diluted europium-labeled tyrosine kinase substrate antibody assay solution was immediately added.g) The plate was sealed, the reaction solution was mixed until uniform and reacted at the room temperature for 1 h, and fluorescence signals were detected by using an ENVISION (Perkinelmer) instrument (320 nm stimulation, 665 nm, 615 nm emission). 
11536	1	Measurement of Inhibitory Effect Against DGAT2 Enzyme Activity	1. Preparation of DGAT2 Expression Vector. In order to prepare the pBacPAK9-DGAT2, which is DGAT2 expression vector, the human DGAT2 gene amplified by polymerase chain reaction (PCR) was cloned into the EcoR1 and Xho1 sites of the pBacPAK9 (clonctech) vector. The nucleotide sequence of the primers used in PCR was the forward primer 5&#8242; CTATAAATACGGATCCCGGGAATTCATGGACTACAAGGACGACGATGACAAGCTTAAG ACCCTCATAGCCGCC and the reverse primer 5&#8242; TAAGCGGCCGCCCTGCAGGCCTCGAGTCAGTTCACCTCCAGGAC. The composition of the reaction solution was to contain 50 ng of cDNA clone (OriGene), 200 &#956;M of dATP, dCTP, dTTP, dGTP, 200 nM of each primer, 1 unit of Tag DNA Polymerase (Toyobo), 1x PCR buffer, and the final volume was adjusted to 20 &#956;l. The reaction conditions were denatured at 95° C. for 5 minutes, followed by 30 times of 94° C. for 20 seconds, 60° C. for 20 seconds, and 72° C. for 90 seconds, followed by further reaction at 72° C. for 7 minutes. 2. DGAT2 Expression and Preparation of Membrane Protein. Recombinant human DGAT2 protein was expressed in Sf-21 cells, which are insect cells, by using the BacPack baculovirus expression system (Clontech). The brief manufacturing process is as follows. First, the pBacPAK9-DGAT2 expression vector was transfected with BacPAK6 virus DNA (Bsu36I digest) into sf21 cells using Bacfectin to prepare a recombinant DGAT2 expressing baculovirus. The thus prepared baculovirus was infected with Sf-21 cells at 10 MOI (multiplicity of infection), and after 72 hours, infected insect cells were collected and membrane proteins were isolated. For membrane protein separation, the cell pellet was dissolved in a sucrose solution containing 250 mM sucrose, 10 mM Tris (pH 7.4), and 1 mM ethylenediamine-tetraacetic acid (EDTA), and then homogenized by using a dounce homogenizer, and the supernatant was taken by centrifuging at 600×g for 15 minutes, and centrifuged at 100,000×g for 1 hour to discard the supernatant, and the remaining pellet was resuspended in 20 mM HEPES buffer (pH 7.4). The prepared DGAT2 overexpressing membrane protein was dispensed in 100 &#956;l and stored at &#8722;80° C. until use. Protein concentration was quantified by using the BCA Protein Assay Kit (Thermo Scientific). 3. Measurement of Inhibitory Effect Against DGAT2 Enzyme Activity. In vitro DGAT2 analysis was performed using a Phospholipid Flash Plate (PerkinElmer) based on the principle of SPA (Scintilation Proximity Assay). First, DGAT2 inhibition compounds serially diluted 5 times from 3 nM to 10 &#956;M (final concentration, 1% DMSO) were mixed in a buffer solution containing 2 &#956;g DGAT2-membrane protein and 20 mM HEPES, 20 mM MgCl2, 1 mg/mL BSA, 50 &#956;M 1,2 sn-oleoyl glycerol (Sigma), put in a 96-well flash plate (FlashPlate) and reacted at 37° C. for 20 minutes, and then 1 &#956;M [14C] ole oil CoA (PerkinElmer, NEC651050UC) was added to be a final volume of 100 &#956;L and further reacted at 37° C. for 15 minutes. After the enzymatic reaction was completed, 100 &#956;L of isopropanol was added, the plate was sealed with a film, and the plate was shaken slowly in a plate shaker. The next day, the amplified scintillation signal (cpm) in Topcounter (Packard) was measured to measure the degree of production of [14C]-labeled triacyl glycerol (TG) as a reaction product. The measured value when the compound was not treated was used as a positive control, and the measured value of the compound treated group was calculated as a relative % to measure the inhibition effect of the compound on TG production. The IC50 value, which is the concentration of the compound that inhibits TG production by 50%, was determined by treating the response value according to the compound concentration with a nonlinear regression curve using PRISM (Graphpad Inc.).
11537	1	In Vitro Inhibition Assay Method	The in vitro inhibition assay method was adapted from Svenson and Jaffrey, 2016. All reactions were performed in a 96-well plate with 200 &#956;L assay buffer (50 mM HEPES pH 6, 300 &#956;M 2-oxoglutarate, 300 &#956;M (NH4)2Fe(SO4)2 6H2O, 2 mM ascorbic acid in RNase-free water) with 7.5 &#956;m6A7-Broccoli RNA and 0.250 &#956;M FTO. Inhibitors were added in concentrations ranging from 0.008-40 &#956;M; all inhibitors were dissolved in DMSO and added to a final concentration of 0.2% DMSO. Prior to incubation, 40 &#956;L read buffer (250 mM HEPES pH 9.0, 1 M KCl, 40 mM MgCl2, 2.2 &#956;M DFHBI-1T in RNase-free water) was added to bring the final well volume to 200 &#956;L. After incubation at room temperature for 2 hours, the plates were left at 4 C. overnight (16 hours) to allow DFHBI-1T to bind to A7-Broccoli RNA. Specificity assays were performed by the same method with 0.250 &#956;M ALKBH5. Fluorescence intensity was measured with a BioTek Synergy plate reader with FITC filters (excitation 485 nm, emission 510 nm). Sigmoidal dose-response curves were fitted in GraphPad Prism 6.
11538	1	Biochemical Assay	Each compound was dissolved in DMSO to a concentration of 10 mM and further diluted to 100 &#956;M using acetonitrile. Liver microsomes from selected species were incubated in duplicate with each compound at a final concentration of 1 &#956;M in 0.1 M potassium phosphate buffer (pH 7.4) containing 3.3 mM MgCl2, 0.5 mg/ml microsomal protein, in the presence or absence of NADPH (1 mM). Incubations were performed at 37° C. Control incubations with reference substances were included for each experiment. At different time points (t=0, 5, 15, 30, 45 min), an appropriate aliquot of the incubation mixture was transferred into a quench plate containing acetonitrile and internal standard cooled to 4° C. After the last time point, the quench plates were mixed thoroughly and centrifuged for 15 minutes at 3700 rpm and 10° C. (Eppendorf 5804R). The supernatant was transferred to new 96 well plates and subjected to LCMS analysis. The disappearance of the parent compound was determined.
11539	1	Assay on Agonistic Effect of Compounds on &#946;1 Receptor by HTRF cAMP Method	&#946;1 cells (expressing human ADRB1 gene) from ICE Bioscience Inc. were grown under standard conditions. The cells were collected and diluted with 1 Stimulation Buffer, and 9 &#956;L of the cell dilution was added to a white low-volume 384-well plate with 4000 cells seeded in each well. Compounds were serially diluted in DMSO in a 5-fold gradient to obtain 10 concentrations. Before testing, compounds that had been serially diluted in DMSO were subjected to 100-fold dilution with 1 Stimulation Buffer to obtain compound working solutions. The concentration of the vehicle DMSO was 0.1%. Eu-cAMP and ULight -anti-cAMP were diluted to the working concentration with Detection buffer. 5 &#956;L of Eu-cAMP diluent and 5 &#956;L of ULight -anti-cAMP diluent were sequentially added into corresponding experiment wells. After 1 h of incubation at room temperature, readings at 665 nm and 620 nm were measured under the excitation wavelength of 330 nm using a Biotek microplate reader. The activity of the compounds was obtained by plotting through Ratio (665/620) against the concentration of the compounds, fitting the curve by a nonlinear regression method using GraphPad Prism 7
11539	2	M3 Receptor Affinity Test	The experiment was performed by a radioisotope affinity assay. The M3 receptor membrane protein was prepared at 10 &#956;g/mL by Biology Department of WuXi AppTec, and compounds were serially diluted in a 2.5-fold gradient in DMSO to obtain 10 concentrations. Radioisotope 3H-NMS was prepared at 0.2 nM in an assay buffer (10 mM HEPES, 1 mM MgCl2, pH 7.40). In formal testing, the experimental system comprising 1 of the test compound, 100 &#956;L of M3 receptor membrane protein and 100 &#956;L of radioisotope was shaken in a shaker at 300 RPM for 2 h at room temperature. A GF/C plate (Perkin Elmer, Cat No. 6055690) was prefoamed with 0.3% PEI, and the membrane proteins in the reaction solution were collected by filtration onto the GF/C plate. The signal values were read by a Perkin Elmer Microbeta2 instrument and the inhibition rate for each concentration point was shown as a percentage.
11539	3	M2 Receptor Affinity Test	The M2 receptor membrane protein was prepared at 100 &#956;g/mL by Biology Department of WuXi AppTec, and compounds were serially diluted in a 2.5-fold gradient in DMSO to obtain 10 concentrations. Radioisotope 3H-NMS was prepared at 0.2 nM in an assay buffer (10 mM HEPES, 1 mM MgCl2, pH 7.40). In formal testing, the experimental system comprising 1 &#956;L of the test compound, 100 &#956;L of M2 receptor membrane protein and 100 &#956;L of radioisotope was shaken in a shaker at 300 RPM for 2 h at room temperature. A GF/C plate (Perkin Elmer, Cat No. 6055690) was prefoamed with 0.3% PEI, and the membrane proteins in the reaction solution were collected by filtration onto the GF/C plate. The signal values were read by a Perkin Elmer Microbeta2 instrument and the inhibition rate for each concentration point was shown as a percentage.
11540	1	Nanosyn Biochemical HDAC6 Assay (	The biochemical HDAC6 assay was performed using fluorescence detection (Fluor-De-Lys assay). In this assay, deacetylation of the Lysine residue in the LGK(Ac)-AMC peptide substrate, results in a cleavable bond between the fluorescent moiety of amino-methyl coumarin (AMC) and lysine. The AMC is released by the auxiliary treatment with trypsin, which is added to the termination buffer. The cleaved AMC generates strong fluorescent signal which is being detected (360 nm excitation and 460 nm emission).HDAC reactions are assembled in black low binding 384 well plates (Corning) in a total volume of 20 mL as following: HDAC6 protein is pre-diluted in the assay buffer comprising of: 100 mM HEPES, pH 7.5, 0.01% BSA, 0.01% Triton X-100, 25 mM KCl and dispensed into 384 well plate (10 uL per well). Test compounds are serially pre-diluted in DMSO and added to the protein samples by acoustic dispensing (Labcyte Echo). Concentration of DMSO is equalized to 1% in all samples. Control samples (0%-inhibition in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) are assembled in the same plate and used to calculate the %-inhibition in the presence of compounds. At this step compounds are pre-incubated with enzyme for 30 min. The reactions are initiated by addition of 10 uL of the LGK(Ac)-AMC substrate peptide pre-diluted in the same assay buffer. Final concentration of hHDAC6 enzyme is 0.5 nM. Final concentration of mHDAC6 enzyme is 1 nM. Final concentration of substrate peptide is 1.25 uM. The reactions are allowed to proceed at room temperature for 1 h. Following incubation, the reactions are quenched by addition of 20 mL of termination buffer comprising of Trichostatin A (included as a termination agent) and trypsin (BPS catalog #50030). 
11540	2	Caliper Endpoint Assay for HDAC Enzymatic Activity	HDAC reactions were assembled in 384 well plates (Greiner) in a total volume of 20 &#956;L as follows: HDAC proteins (and their regulatory subunit, if applicable) were pre-diluted in the assay buffer comprising: 100 mM HEPES, pH 7.5, 0.1% BSA, 0.01% Triton X-100, 25 mM KCl and dispensed into a 384 well plate (10 &#956;L per well). An example of enzyme concentrations used in each assay is listed in the table below.Substrate IncubationRegulatory [Enzyme] Substrate Conc TimeAssay Expression Construct subunit nM Peptide (&#956;M) (hr)HDAC6 Full length Human HDAC6 None 6 FAM- 1 5with C-terminal FLAG-tag, RHKK(Ac)-expressed in baculovirus NH2expression system. HDAC8 Full length Human HDAC8 None 5 FAM- 1 3with N-terminal HIS-tag, RHKK(TFAc)-expressed in baculovirus NH2expression system. Test compounds were serially pre-diluted in 100% DMSO using 3-fold dilution steps and added to the protein samples by acoustic dispensing (Labcyte Echo). Concentration of DMSO was equalized to 1% in all samples. Final compound concentration in assays typically ranged from 100 &#956;M to 0.00056 &#956;M for a 12-point concentration-response format. Control samples (0%-inhibition in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) were assembled in replicates of four (for each caliper sipper) and used to calculate the %-inhibition in the presence of compounds. At this step compounds were pre-incubated with enzyme for 30 minutes at room temperature (20-23° C.). The reactions were initiated by addition of 10 &#956;L of the FAM-labeled substrate peptide (see table above) pre-diluted in the same assay buffer. Final concentration of substrate peptide was 1 &#956;M. The reactions were allowed to proceed at room temperature (20-23° C.). Typical incubation times for each HDAC, based on pre-determined enzyme progress curves, vary and are listed in table above. Following incubation, the reactions were quenched by addition of 50 &#956;L of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 0.05% SDS). Terminated plates were analyzed on a microfluidic electrophoresis instrument (Caliper LabChip 3000, Caliper Life Sciences/Perkin Elmer) which enables electrophoretic separation of deacetylated product from acetylated substrate. A change in the relative intensity of the peptide substrate and product is the parameter measured. Activity in each test sample was determined as the product to sum ratio (PSR): P/(S+P), where P is the peak height of the product, and S is the peak height of the substrate.
11541	1	Electrophysiological Assay	In this experiment, a manual patch-clamp system (HEKA EPC-10 signal amplifier and digital conversion system, purchased from HEKA Electronics, Germany) was used for whole cell current recording. Round slides with CHO hERG cells grown on the surface were placed in an electrophysiological recording chamber under an inverted microscope. The chamber was continuously perfused with extracellular fluid (approximately 1 mL/min). The experimental procedures were performed by conventional whole-cell patch-clamp current recording technology. Unless otherwise stated, the experiment was performed at room temperature (&#8722;25° C.). The cells were clamped at a voltage of &#8722;80 mV. The cell clamp voltage was depolarized to +20 mV to activate the hERG potassium channel, and then clamped to &#8722;50 mV 5 s later to eliminate inactivation and generate tail currents. The tail current peak was used as a value for the numeral value of the hERG current. After the hERG potassium currents recorded in the above step were stable under the continuous extracellular fluid perfusion in the recording chamber, the drug to be tested could be added for perfusion until the inhibitory effect of the drug on the hERG current reached a stable state.
11542	1	CSNK1A1 1uM ATP Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).[2164]For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 uM=>final conc. in the 5 &#956;L assay volume is 1 mM) and peptide substrate (167 &#956;M=>final conc. in the 5 &#956;L assay volume is 100 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux&#153; from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
11542	2	CSNK1D Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1D, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV3665) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide Btn-Ahx-SGSEGDSESGEEEG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).[2169]For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1D in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) and peptide substrate (50 &#956;M=>final conc. in the 5 &#956;L assay volume is 30 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1D was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.5 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of &#147;ADP-Glo-reagent&#148; (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the &#147;kinase detection reagent&#148; (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux&#153; from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1D.
11542	3	WT-EGFR Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.33 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 7.6 &#956;g/&#956;L. The reaction was stopped by the addition of 3 &#956;L of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66-Tb-cryptate PT66-Eu-Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).
11542	4	CSNK1A1 High ATP Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).[2164]For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 mM=>final conc. in the 5 &#956;L assay volume is 1 mM) and peptide substrate (167 &#956;M=>final conc. in the 5 &#956;L assay volume is 100 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux&#153; from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
11543	1	Inhibition of RET Family Kinases Activity	The activity assay method for the above kinases was established by homogeneous time-resolved fluorescence (HTRF), and the inhibitory activity of the compounds was determined. An 8 &#956;L reaction solution was prepared, comprising 1×enzymatic buffer (Cisbio, HTRF KinEASE-TK), 5 mM MgCl2, 1 mM MnCl2, 1 mM DTT, 1 &#956;M TK substrate-biotin (Cisbio, HTRF KinEASE-TK), 10 &#956;M ATP (1 &#956;M for RET WT, CCDC6-RET; 20 &#956;M for KDR), gradient concentrations of compounds and the following concentrations of related kinases: 0.03 ng/&#956;L RET WT, 0.2 ng/&#956;L RET (V804M), 0.04 ng/&#956;L RET (M918T), 0.12 ng/&#956;L CCDC6-RET and 0.02 ng/&#956;L KDR. The kinases and compounds were pre-incubated for 5 min, and then ATP and substrate were added to start the reaction. All the enzyme-catalyzed reactions were carried out at 25° C. for 60 min. After the enzyme-catalyzed reactions were completed, 4 &#956;L of TK antibody-cryptate and 4 &#956;L of streptavidin-XL665 (the reaction concentration was 62.5 nM) were added to the reaction mixtures, and the mixtures were incubated at 25° C. for another 60 min. After the incubation was completed, the HTRF fluorescence values were determined on CLARIOstar (BMG LABTECH), and IC50 was calculated using the GraphPad Prism 5.0 software.
11543	2	Inhibition of hERG Potassium Channel	Inhibition of hERG Potassium Channel by Prepared Compounds The final concentrations of test compounds were all prepared on the day of experiment and then dissolved in an extracellular fluid. The extracellular fluid (mM) was: NaCl, 137; KCl, 4; CaCl2, 1.8; MgCl2, 1; HEPES, 10; glucose 10; pH 7.4 (NaOH titration). All the test and control compound solutions contained 0.3% DMSO. HEK293 cells stably expressing the hERG ion channel were transferred to a perfusion chamber and perfusion was carried out using the extracellular fluid. A intracellular fluid was stored in small batches in a -80 C. freezer and thawed the day of experiment. The intracellular fluid (mM) was: K Aspartate, 130; MgCl2, 5; EGTA 5; HEPES, 10; Tris-ATP 4; pH 7.2 (KOH titration). Electrodes were produced by pulling with PC-10 (Narishige, Japan). Whole-cell patch-clamp recording was carried out. Noise was filtered at one fifth of the sampling frequency. The cells were clamped at -80 mV, then depolarized to 40 mV with a 4 second lasting square wave, and hyperpolarized to -40 mV with a 2 second lasting square wave to give a hERG tail current. This procedure was repeated every 20 seconds. The hERG tail current was a pure hERG current. The maximum current induced by the second square wave was detected, and after it was stable, perfusion was carried out using the test compounds. After the reaction was stable, the blocking intensity was calculated.
11544	1	Biochemical Functional Assay	The KRAS (aa 1-169) G12C, C51S, C80L, C118S with a His-tag was expressed, purified and loaded with GDP in house. All protein and substrate solutions were prepared in assay buffer containing 25 mM HEPES pH7.5, 10 mM MgCl2, and 0.01% Triton X-100. Purified GDP-loaded KRAS (aa 1-169) G12C, C51S, C80L, C118S protein was pre-incubated with a serially diluted compound at 24° C. for 3 hrs. Purified SOS1 (aa 564-1049) protein, GTPYS (Sigma) and GST-cRaf RBD (aa 1-149) were then added to each well and incubated at 24° C. for additional 3 hrs. This addition initiates the nucleotide exchange reaction and transition of inactive GDP loaded KRAS G12C to active GTP&#947;S KRAS G12C which binds to GST-cRaf RBD. Following the incubation, Mab Anti-6HIS-Tb cryptate (Cisbio) and Mab Anti GST-XL665 (Cisbio) were added and further incubated at 24° C. for 3 hrs. The binding interaction between active GTP&#947;S KRAS G12C and GST-cRaf RBD brings the Tb and XL665 into close proximity enabling an increased FRET signal (Ex337 nm, Em665 nm/620 nm). The inhibition percentage of nucleotide exchange reaction in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm detected on a BMG PHERAstar FSX instrument.
11545	1	HPK1 Kinase Activity Inhibition Assay	1. HPK1 Kinase Activity Inhibition Test. The kinase activity of HPK1 is manifested as activity of autophosphorylation and phosphorylation of downstream substrates. In the process of autophosphorylation, additional substrates are not required, and ATP is consumed to generate ADP. The amount of the product was measured by ADP-Glo reagent and luminescence method to reflect kinase activity.Test compounds: compounds prepared in the examples of this application.Prepare compound stock solution: dissolve the compound to be tested in 100% DMSO to make a 10 mM stock solution;Prepare 4× Kinase Reaction Buffer:Concentration of FinalMaterial Stock Solution Volume ConcentrationTris 1M (25×) 240 &#956;L 40 mMMgCl2 1M (50×) 120 &#956;L 20 mMBSA 7.5%(75×) 80 &#956;L 0.1%DTT 1M(500×) 3 &#956;L 0.5 mM&#8201;ddH2O 5557 &#956;LPrepare 2×HPK1 Kinase Solution:Concen- tration 2 × Final Finalof Stock Concen- Concen-Material Solution Volume tration trationHPK1 4878 nM &#8195;1 &#956;L 10 nM 5 nM1 × kinase 487 &#956;Lreaction buffersolutionPrepare 4×ATP mixture:Concen- 4 × tration Final Finalof Stock Concen- Concen-Material ATP Km Solution Volume tration trationATP 1.669 &#956;M 1 mM (125×) &#8194;3 &#956;L 8 &#956;M 2 &#956;M4 × kinase 372 &#956;L reaction buffersolution Procedures:Dilute the stock solution of the compound to be tested by 5 times with 1000 DMSO, make a 4-fold equal dilution in a 96-well dilution plate, add 1 &#956;L of the compound to 49 L of kinase reaction buffer, and shake on a microplate shaker for 20 minutes. Transfer 2 &#956;L of 2×HIPK1 kinase solution to 384 reaction plate, add 1 &#956;L of the test compound to the 384 reaction plate (Greiner, 784075), centrifuge for 1 minute (1000 rpm/min), incubate at 25° C. for 10 minutes. Transfer 1 L of the 4×ATP mixture to a 384 reaction plate, centrifuge for 1 minute (1000 rpm/mm), and incubate at 25° C. for 60 minutes. In the reaction system, the final concentration of DMSO was 0.500. Transfer 4 &#956;L of ADP-Glo to a 384 reaction plate, centrifuge for 1 minute (1000 rpm/min), and incubate at 25° C. for 40 minutes. Transfer 8 &#956;L detection solution to a 384 reaction plate, centrifuge for 1 minute (1000 rpm/min), and incubate at 25° C. for 40 minutes. The fluorescence signal was read using a Biotek multi-function plate reader, and the +C50 (half inhibitory concentration) of the compound was obtained using a four-coefficient nonlinear fitting formula.
11546	1	ADP-Glo Kinase Assay	ADP-Glo assay kit was purchased from Promega and the CDK9/CycT1 protein and PDKtide substrate were purchased from SignalChem. Compounds of Structure (I) are dosed in 10-dose IC50 mode in duplicate with 3-fold serial dilution starting at 100 &#956;M. The reaction is started by pre-incubating 4 &#956;L of protein (20 nM), 2 &#956;L of substrate (100 &#956;M), and 2 &#956;L of serial diluted drug in 1× assay buffer (50 mM HEPES, 3 mM MgCl2, 3 mM MnCl2, and 1 mM DTT) for 30 minutes. After pre-incubating, 4 &#956;L of ATP (1 &#956;M) is added to each well and incubated for an additional 90 minutes. The ADP-Glo Reagent (10 &#956;L) and Kinase Detection Reagent (20 &#956;L) are added to each well and incubated as recommended by Promega. The reaction is quantified by measuring luminescence and the IC50 is calculated using GraphPad Prism software.
11547	1	EGFR kinase Enzymatic Activity Test 1	To assess the effect of compounds on the activity of wild-type and mutant EGFR kinases, kinase activity was tested by measuring ATP consumption in an enzymatic reaction using an ADP-Glo (Promega Corporation) kit. Samples to be tested were dissolved in DMSO and diluted in a gradient. In a microplate, an EGFR kinase, a reaction buffer (containing Tris-HCl with a pH of 7.5, MgCl2, DTT and BSA), a kinase substrate Poly(Glu4, Tyr1) and a sample (a total volume of 20 &#956;L per well) were added per well, while a blank control (no enzyme and sample) and a negative control (no sample) were set up; incubated for 15 minutes at 23° C.; added with 5 &#956;L of ATP, and reacted at 23° C. for 60 minutes; added with ADP-Glo Reagent, and continuously reacted for 40 minutes at room temperature to inactivate the redundant ATP; then, added with a Kinase Detection Reagent, and reacted at room temperature for 30 minutes, then the chemiluminescence intensity L of each well was measured. The inhibition rate of the compound was calculated according to the value of the chemiluminescence intensity L, and the inhibition rate=[1-(Lsample&#8722;Lblank)/(Lnegative&#8722;Lblank)]×100%. IC50 values were calculated according to the above calculation using 4Parameter Logistic Model in XLfit software.
11547	2	ALK Enzymatic Activity Test 2	To assess the effect of compounds on the activity of EML4-ALK kinases, kinase activity was tested by measuring ATP consumption in an enzymatic reaction using an ADP-Glo (Promega Corporation) kit. Samples to be tested were dissolved in DMSO and diluted in a gradient. In a microplate, an EML4-ALK kinase, a reaction buffer (containing Tris-HCl with a pH of 7.5, MgCl2, DTT and BSA), a kinase substrate IGF1 and a sample (a total volume of 20 &#956;L per well) were added per well, while a blank control (no enzyme and sample) and a negative control (no sample) were set up; added with 5 &#956;L of ATP, and reacted at 23° C. for 60 minutes; added with ADP-Glo Reagent, and continuously reacted for 40 minutes at room temperature to inactivate the redundant ATP; then, added with a kinase detection reagent, and reacted at room temperature for 30 minutes, then the chemiluminescence intensity L of each well was measured. The inhibition rate of the compound was calculated according to the value of the chemiluminescence intensity L, and the inhibition rate=[1-(Lsample&#8722;Lblank)/(Lnegative&#8722;Lblank)]×100%. IC50 values were calculated according to the above calculation using 4Parameter Logistic Model in XLfit software.
11548	1	Steroid Inhibition of TBPS Binding	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500 g for 10 min at 4 C. The resultant supernatants are centrifuged at 10,000 g for 20 min at 4 C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000 g for 10 min at 4 C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 mL) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 mL aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 mM GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 mM unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. 
11549	2	Amide Coupling	IC50 values were determined using 12 point 2-fold dilutions (starting from 10 &#956;M).
11549	1	Chan-Lam	IC50 values were determined for the whole plate in case of Chan-Lam coupling, using 5 point 3-fold dilutions (starting from 10 &#956;M).
11549	3	Fluorescence Mpro inhibition assay (S1)	Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat. no. 784900) using an Echo 555 acoustic dispenser, and dimethyl sulfoxide (DMSO) was back-filled for a uniform concentration in assay plates (DMSO concentration maximum 1%) Screening assays were performed in duplicate at 20 &#956;M and 50 &#956;M. Hits of greater than 50% inhibition at 50 &#956;M were confirmed by dose response assays. Dose response assays were performed in 12-point dilutions of twofold, typically beginning at 100 &#956;M. Highly active compounds were repeated in a similar fashion at lower concentrations beginning at 10 &#956;M or 1 &#956;M. Reagents for Mpro assay were dispensed into the assay plate in 10 &#956;l volumes for a final volume of 20 &#956;l.Final reaction concentrations were 20 mM HEPES pH 7.3, 1.0 mM TCEP, 50 mM NaCl, 0.01% Tween-20, 10% glycerol, 5 nM Mpro, 375 nM fluorogenic peptide substrate ([5-FAM]-AVLQSGFR-[Lys(Dabcyl)]-K-amide). Mpro was pre-incubated for 15 min at room temperature with compound before addition of substrate and a further 30-min incubation. Protease reaction was measured in a BMG Pherastar FS with a 480/520 excitation/emission filter set. Raw data were mapped and normalized to high (Protease with DMSO) and low (No Protease) controls using Genedata Screener software. Normalized data were then uploaded to CDD Vault (Collaborative Drug Discovery). Dose response curves were generated for IC50 using nonlinear regression with the Levenberg Marquardt algorithm with minimum inhibition = 0% and maximum inhibition = 100%.The assay was calibrated at different enzyme concentrations to confirm linearity and response of protease activity, as well as optimization of buffer components for most stable and reproducible assay conditions. Substrate concentration was chosen after titration to minimize saturation of signal in the plate reader while obtaining a satisfactory and robust dynamic range of typically five- to sixfold over control without enzyme. We used low substrate concentrations of the bright FRET peptide to avoid inner filter effect (60) and to bias toward detection of competitive inhibitors (61). As positive control, under our assay condition, nirmatrelvir has IC50 of 2.6 nM.
11549	4	Fluorescence Mpro inhibition assay (S2)	This assay is for S2.
11550	1	SPR Assay	Affinity for the human adenosine receptor sub-types (A2a, A2b, A1 and A3) was determined by SPR as described in Aristotelous, T., et al, Methods in Enzymology (2015), Volume 556, Chapter 23, pages 499-525 and Congreve, M., et al, J Med Chem (2012), Vol. 55, pages 1898-1903. The method used was analogous to the method used in Congreve, M., et al (see supplementary page S10) for the A2a receptor, but the wild type receptor was used rather than the proprietary StaR form.
11551	1	Enzyme (COXs) Inhibition Assay	The inhibitory effects of candidate compounds on COX-1 and COX-2 were determined using COX inhibitor screening test kits, testing each compound&#39;s capacity to inhibit the conversion of arachidonic acid to prostaglandin. In test tubes, 25 mM Tris-HCl, pH 8.0, containing 5 mM EDTA, phenol, and 1 mM hematin was added. The test compounds were dissolved in DMSO and added in concentrations ranging from 0.005-200 Dimethyl sulfoxide alone was applied to control test containers. COX-1 or COX-2 enzymes were added to the test tubes, which were then preincubated for 10 minutes at 37° C. The arachidonic acid substrate was added, and the tubes were further incubated at 37° C. for 2 minutes. The compound&#39;s immunochemical assay was used to calculate the amount of prostaglandin produced.
11552	1	Inhibitory Assay	The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 mM NaCl, 10 mM MgCl2, 0.2 mM EDTA, 0.01% Brij35 , 1 mM DTT, and 0.1 mg/mL BSA at pH 7.3. The test compound is prepared in DMSO using 2-fold serial dilutions for 11 data points, which are added to the buffer so that each dilution contains 3% DMSO. To initiate the assay, 5 &#956;L of 3 &#956;M 5FAM-EEPLYWSFPAKKK-NH2 (in buffer), 5 &#956;L of diluted test compound (3% DMSO in buffer), and 5 &#956;L of 9 nM BTK and 150 &#956;M ATP in buffer are combined in each well. The reaction mixtures are incubated at room temperature for 60 minutes and then quenched by adding 25 &#956;L of 50 mM EDTA. To quantify the fluorescent-labeled substrate and product following reaction, the test plate is loaded on a Caliper LC-3000, which measures percent of conversion by microfluidic-based separation.
11553	1	Homogeneous Time-Resolved Fluorescence (HTRF)	PD1/PD-L1 binding assay kit (Cisbio, Cat #63ADK000CPDEC) was used, which includes two proteins, Tag 1-PD-L1 and Tag 2-PD-1, and two antibodies, Anti-Tag1-Eu3+ and Anti-Tag2-XL 665. Assay principle: Anti-tag1-Eu3+ is the HTRF donor, and Anti-Tag2-XL 665 is the HTRF acceptor. When Tag 1-PD-L1 and Tag 2-PD-1 interact, the added HTRF donor and the acceptor are close to each other. After the donor receives the excitation energy, it transfers part of the energy to the acceptor, thus producing 665 nm emission signal. When the compound is added to block the PD1/PD-L1 interaction, only 620 nm emission light was detected. The inhibitory effect of the compound was determined by analyzing the ratio of 665 nm/620 nm. Tag 1-PD-L1 was diluted with Diluent buffer (cat #62DLBDDF) to a working concentration of 10 nM, Tag 2-PD-1 was diluted with Diluent buffer to a working concentration of 500 nM, and Anti-Tag1-Eu3+ was diluted with detection buffer (cat #62DB1FDG) by 1:100, Anti-Tag2-XL 665 was diluted with detection buffer by 1:20, and the test compound was diluted with Diluent buffer to a final concentration of 2×. In a 384-well plate, 2 &#956;L of compound was added to each well, and then 4 &#956;L of Tag 1-PD-L1, 4 &#956;L of Tag 2-PD-1 were added and incubated at room temperature for 15 minutes.
11554	1	HTRF Assay	Table 2-3: His-tagged TEAD proteins are pre-incubated with TEAD project compounds for 30 minutes or 4 hours at room temperature. Biotinylated lipid pocket probes are then added to the TEAD/Compound mixture and incubated for 60 minutes at room temperature. The lipid pocket probe competes with the test compound for the TEAD lipid pocket until equilibrium is reached. After 60 minutes, Europium labelled anti-His (Perkin Elmer #ADO 110) and XL665 labelled streptavidin (CIS Bio 610SAXAC) are added to the TEAD/test compound/lipid pocket mixture and incubated for 30 minutes or 4 hours. TR-FRET values are then measured using an EnVision multi-label plate reader (Perkin Elmer Cat #2104-0010A.) If the lipid pocket probe binds to TEAD as expected, a TR-FRET signal results from the proximity of anti-His Eu and XL665. If a TEAD lipid pocket binder such as binds and displaces the lipid pocket probe, the disruption of the TEAD:probe interaction results in a decrease in TR-FRET signal. 
11554	2	HTRF Assay	Table 4-5: Purified His-tagged TEAD protein (YAP Binding Domain, amino acids 217-447) is pre-incubated with Europium labelled anti-His antibody tracer (Perkin Elmer Cat #AD0110). Small molecule Inhibitors are then incubated with the TEAD-Eu protein complex for 30 minutes or 4 hours to allow for binding to TEAD protein. Biotinylated YAP peptide for TEAD-YAP assays (AA&#39;s 50-100) or biotinylated TAZ peptide for TEAD-TAZ assays (AA&#39;s 13-57) that has been pre-incubated with streptavidin &#8722;xl665 acceptor (CIS-Bio Cat #610SAXAC) or is added to the compound-TEAD mix. The TEAD-YAP-inhibitor mixture is then incubated for 60 minutes at room temperature. All reactions are carried out in a polystyrene plate. After 60 minutes, the plate is read on a plate reader using TR-FRET mode with wavelengths of 665 nm/615 nm. If YAP or TAZ binds to TEAD as expected, a TR-FRET signal results from the proximity of YAP or TAZ and TEAD after binding. If an inhibitor such as peptide 17 (Selleckchem Cat #S8164) interferes with YAP-TEAD or TAZ-TEAD binding, the disruption of the YAP or TAZ:TEAD interaction results in a decrease in TR-FRET signal. The potency of compounds as YAP:TEAD or TAZ:TEAD protein-protein interaction (PPi) inhibitors is determined by an IC50 or EC50 value generated using a non-linear four parameter curve fit.
11555	1	GR Binding Assay	Binding of test compounds to the glucocorticoid receptor (GR) is determined using a fluorescence polarisation (FP) assay utilising a recombinant ligand binding domain (LBD) of GR. The test compounds are assessed by their ability to displace a fluorescently tagged ligand and detection of the resulting decrease in fluorescence polarisation. Fluorescence polarisation values are converted to % inhibition using the high (1% DMSO only) and low (1 &#956;M CORT125134, (R)-(1-(4-fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone of U.S. Pat. No. 8,859,774) controls and IC50 values are calculated from non-linear regression curves fitted using Dotmatics software.
11556	1	Kinase Assay	Estimated IC50 values are as follows (obtained using STANDARD KINASEPROFILER).
11557	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;L of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
11558	1	Fluorometric Assay	The capability of compounds described herein to inhibit the enzymatic activity of vascular adhesion protein-1 (VAP-1) was determined by fluorometric assay. The assay procedure provided by R&D Systems was modified slightly for use as an inhibitor screening assay. The assay measured the H2O2 generated from the oxidative deamination of benzylamine by rhVAP-1 by converting Amplex Red to the fluorescent product, resorufin, via horseradish peroxidase (HRP) and H2O2. Reaction buffer was 10 mM NaHCO3, pH 7.4. A standard curve was prepared by serially diluting H2O2 in reaction buffer. A 10 &#956;M solution of resorufin was prepared in reaction buffer and was dispensed to 2 wells. These wells served as positive control for maximum fluorescence. Reaction buffer was added to the individual wells so that the final volume in each well was 100 &#956;L. Amplex Red was diluted to 1 mM in reaction buffer. A 10 U stock of HRP was prepared in reaction buffer. A reaction cocktail was prepared by mixing equal parts 1 mM Amplex Red with 10 U HRP with 3 parts reaction buffers. The reaction cocktail was added to the appropriate wells, so that that final concentration in the well was 0.05 mM Amplex Red and 0.5 U HRP. A 200 &#956;M solution of benzylamine was prepared in reaction buffer. Benzylamine was added to the appropriate wells so that the final concentration was 50 &#956;M. Inhibitors were diluted in DMSO to 20 and distributed to the appropriate wells. UP-1207 served a positive control. rhVAP-1 was purchased from R&D Systems. The concentration used for each lot was determined so that the activity was equal to the first lot. Two wells were left blank as controls. The plate was incubated for 30 minutes at 37 C., protected from light under foil. The plate was read at 530/35 emission and 590/35 excitation. Data processing was performed using Excel and Prism software.
11558	2	MAO-Glo Assay 	The capability of compounds described herein to inhibit MAO was determined using a modified Promega MAO-Glo assay kit. The substrate ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid) was converted by MAO to produce methyl ester luciferin. The luciferin was then converted by luciferase to produce oxyluciferin and light. The light was measured using a luminescence setting on the plate reader. A standard curve was prepared by serially diluting luciferin in reaction buffer. The standard kit reaction buffer was used&#151;100 mM HEPES (pH 7.5), 5% glycerol. The substrate was dispensed into the wells so that the final concentration for MAO-A inhibition assay would be 10 &#956;M and MAO-B inhibition assay would be 1 &#956;M. Inhibitors were diluted in DMSO to 4× and distributed to the appropriate wells. Clorgyline and Deprenyl served as positive controls. rhMAO-A and rhMAO-B were purchased from Sigma. MAO-A or MAO-B was added to the appropriate wells. The plate was incubated for 1 hour, at room temperature with gentle shaking (90 rpm). The detection agent was added at equal volume (48 &#956;L detection agent to 48 &#956;L reaction). The plate was incubated for 20 minutes, at room temperature with gentle shaking (90 rpm). The plate luminescence was read. Data processing was performed using Prism software.
11559	1	 Determination of Inhibitor Potency Vs. CHK1 in Caliper Assay Format	CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was run on an EZ Reader II (Caliper Life Sciences Ltd, Runcorn, UK) using separation buffer (#760367 Caliper LS) containing CR-8 (500 nM, #760278, Caliper LS). An ECHO 550 (Labcyte Inc ) acoustic dispenser was used to generate duplicate 8 pt dilution curves directly into 384 polypropylene assay plates (Greiner Bio-One, Gloucestershire, UK). For each test compound a 50 &#956;M stock concentration in 100% DMSO was used. The total amount of DMSO dispensed per well was 250 nL to give a final assay concentration of 2.5% DMSO and test compound concentrations in the range 0.5-1000 nM. To this assay plate, 6 &#956;L CHK1 (2 nM final concentration, in-house protein preparation), 2 &#956;L peptide 10 (5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH (SEQ ID NO: 1), 1.5 &#956;M final concentration, #760354 Caliper LS) and 2 &#956;L ATP (90 &#956;M final concentration) all diluted in kinase buffer (HEPES 50 mM, NaN3 0.02%, BSA 0.01%, sodium orthovanadate 0.1 mM, DTT 1 mM, MgCl2 2 mM, Tween 20 0.1%) were added. The plate was sealed and centrifuged (1 minute, 1000 rpm) before incubation for one hour at room temperature. The reaction was stopped by the addition of separation buffer (90 &#956;L). 
11560	1	Inhibitory Activity of Exemplary Compounds Against Plasma Kallikrein	Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide substrate. In one assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 500 &#956;M activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 10 min at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader. In another assay format, the concentrations of reagents were as follows: 20 mM Tris pH 7.5, 1 mM EDTA, 150 mM sodium chloride, 0.1% PEG-400, 0.1% Triton X-100, 5 pM activated kallikrein enzyme, 300 uM Pro-Phe-Arg-7-amido-4-methylcoumarin substrate. Prior to reaction initiation with substrate, enzyme and inhibitors were preincubated for 30 min at RT. After initiation with substrate, reactions were incubated for 18 h at RT and fluorescence emission at 460 nm from 380 nm excitation measured with a microplate reader.
11561	1	In Vitro Activity Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.
11562	1	Fluorescence Direct Binding Assay	1) Optimization of measurement parameters to minimize protein consumption and to minimize the dilution effect and the DMSO content2) Titration measurements of the protein against ligand by at least 12 titration steps to obtain a good s-curve fit3) Repeat the same titration measurements with the ligand alone to enable correction4) Check the stability of the protein once by titration against DMSO alone5) Determination of the molar extinction coefficients of the ligand at 280 and 340 nm with help of an UV-spectrophotometer6) Use Excel template for the correction of the measured raw data7) Use GraphPad Prism software for the quadratic binding fit and the KD evaluation.
11563	1	DGAT2 Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product 13C18-triolein (13C-1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in ABgene 384-well assay plates in a final volume of 25 &#956;L at rt. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 5 &#956;M of 13C oleoyl-CoA and 8 ng/&#956;L of DGAT2 membrane.
11564	1	Human PDE-5A1 Inhibition Assay	Enzymes and SubstratesCatalog Enzyme Enzyme Used Assay # Lot # (ng/reaction) SubstratePDE5A1 60050 181008-G 0.2 100 nM FAM-cGMPThe serial dilution of the compounds was first performed in 100% DMSO with the highest concentration at 1 mM and 0.1 mM. Each intermediate compound dilution (in 100% DMSO) will then get directly diluted 10× fold into assay buffer for 10% DMSO and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the final concentration of DMSO is 1% in all reactions.The enzymatic reactions were conducted at room temperature for 60 minutes in a 50 &#956;L mixture containing PDE assay buffer, 100 nM FAM-cGMP, a PDE enzyme (Table 2) and the test compounds.After enzymatic reaction, 100 &#956;L of a binding solution (1:100 dilution of the binding agent with the binding agent diluent) was added to each reaction and the reaction was performed at room temperature for 60 minutes.Fluorescence intensity was measured at excitation of 485 nm and an emission of 528 nm using a Tecan Infinite M1000 microplate reader.
11564	2	Androgen Receptor (AR) Radioligand Binding Assay	Human androgen receptors obtained from human LNCaP cells are used in modified HEPES buffer pH 7.4. A 70 &#956;g (adjusted if necessary) aliquot is incubated with 0.5 nM [3H]Methyltrienolone for 20 hours at 4 C. Non-specific binding is estimated in the presence of 1 &#956;M testosterone. Receptors are filtered and washed, the filters are then counted to determine [3H]methyltrienolone specifically bound (Historic values: Kd=0.71 nM: Specific binding=75%; Bmax=0.25 pmole/mg protein). (See, e.g., Traish, A. M et al., Binding of 7&#945;, 17&#945;-dimethyl-19-nortestosterone (Mibolerone) to androgen and progesterone receptors in human and animal tissues. Endocrinology. 118(4): 1327-1333, 1986).Compounds are screened at 10 &#956;M.Where presented, IC50 values were determined by a non-linear, least squares regression analysis using MathIQ (ID Business Solutions Ltd., UK).
11565	1	Determination of in vitro ChE inhibition	The inhibitory potencies against huBChE and murine AChE (mAChE) were determined for all of these synthesized compounds using the method of Ellman (Ellman G. L. et al. Biochem. Pharmacol. 1961, 7, 88-95). 5,5-Dithiobis (2-nitrobenzoic acid) (Ellman&#39;s reagent; DTNB), and the butyrylthiocholine and acetylthiocholine iodides were purchased from Sigma-Aldrich (Steinheim, Germany). mAChE and recombinant huBChE at the stock concentration of 4.6 mg/mL in 10 mM MES buffer (pH 6.5) were used. The enzyme solutions were prepared by dilution of the concentrated stocks in phosphate-buffered solution (0.1 M, pH 8.0). The reactions were carried out in a final volume of 300 &#956;L of 0.1 M phosphate-buffered solution, pH 8.0, containing 333 &#956;M DTNB, 5 10-4 M butyrylthiocholine/acetylthiocholine and 1 10&#8722;9 M or 5 10&#8722;11 M huBChE or mAChE, respectively. The reactions were started by addition of the substrate, at room temperature. The final content of the organic solvent (DMSO) was always 1%. The formation of the yellow 5-thio-2-nitrobenzoate anion as a result of the reaction of DTNB with the thiocholines was monitored for 1 min as the change in absorbance at 412 nm, using a 96-well microplate reader (Synergy H4; BioTek Instruments, Inc., USA). To determine the blank value (b), phosphate-buffered solution replaced the enzyme solution. The initial velocity (v0) was calculated from the slope of the linear trend obtained, with each measurement carried out in triplicate. For the first inhibitory screening, stock solutions of the test compounds (1 mM) were prepared in DMSO. The compounds were added to each well at a final concentration of 10 &#956;M. 
11566	1	Homogenouse Time-Resolved Fluorescence Assay	Homogeneous time-resolved fluorescence (HTRF) binding assay was used to determine the binding ability of the compound of the present disclosure to PD-1/PD-L1.The purchased kit (CisBio, #64CUS000C-1) contained reagents required for assays such as PD-1, PD-L1, anti-tag1-Eu, Anti-tag2-XL665, dilute buffer, and detection buffer.Experimental Procedure1. The compound was formulated to 10 concentrations with a 3-fold gradient with 100% DMSO.2. The DMSO solution of the compound was added to the dilute buffer, mixed thoroughly, then transferred to a 96-well plate.3. PD-L1 was diluted with dilute buffer, then added to the above 96-well plate.4. PD-1 was diluted with dilute buffer and added to the above 96-well plate, which was then incubated at room temperature for 30 minutes.5. A portion of anti-tag1-Eu and a portion of anti-tag2-XL665 were added to the detection buffer, mixed thoroughly and transferred to the above 96-well plate.6. The mixture in the above 96-well plate was incubated at room temperature for 1 to 24 hours.7. HTRF values were read with Envision.
11567	1	S1P Transporter Assay	Transporter assays are vectorial and therefore require measurement of the transported analyte in different compartments. The S1P transporter SPNS2 only exports S1P, which obviates measuring uptake of S1P into transporter-expressing cells. Thus, transporter activity was determined by quantifying S1P release from whole cells expressing SPNS2. SPNS2 inhibitor potency was assessed using whole cell assays. HeLa cells expressing mouse SPNS2 were used to determine inhibitor potency (IC50). Cells were plated onto 12 well plates and assayed when the cell monolayers became confluent. Cell growth media (RPMI-1640 containing 10% fetal bovine serum) was replaced with 2 mL of serum-free media (RPMI-1640) containing fatty acid free bovine serum albumin (BSA) (0.2 % w/v) and supplemented with 4-deoxypyridoxine (DOP) (1 mM), NaF (2 mM), Na3VO4 (0.2 mM) to inhibit S1P degradation. Test articles (1 × 10-9 - 1 × 10-4 M) were assayed in duplicate or triplicate. After 18 hours, media was collected, an internal recovery standard (0.005 mL of 5 × 10-7 M deuterated (d7) S 1P in methanol) was added, the BSA was precipitated with trichloroacetic acid and the bound S1P extracted with methanol. S1P and S1P-d7 were measured by liquid chromatography mass spectrometry.
11568	1	Inhibition of Kinase Activity of IRE1alpha	The kinase reactions were performed in 384 well white ProxiPlate-384 Plus plates (PERKIN Elmer 6008280) using 25 mM MOPS assay buffer with 1 mM dithiothreitol, 25 mM MgCl2, 12.5 mM &#946;-glycerophosphate, 5 mM EGTA, and 50 g/mL BSA. Test compounds were prepared on the day of assay and dispensed using D300 digital dispenser as a 10-point log dilution series in duplicate, normalized to a final DMSO concentration of 3%. Test compounds were pre-incubated for 30 min at room temperature with 10 nM IRE1&#945; kinase (E31-11G from Signal Chem) in 2.5 L of assay buffer and the reaction started by addition of 2.5 L of ATP in assay buffer, to give a final ATP concentration of 100 m and 5 nM IRE1&#945; kinase. After 4 hours incubation at room temperature the reactions were stopped and the kinase activity determined using the ADP-Glo&#153; reagent from Promega, according to the manufacturer&#146;s instructions. Luminescence was measured on a luminometer (EnVision, PerkinElmer) and IC50 values calculated by fitting a sigmoidal curve to percent inhibition of control versus Log10 of compound concentration.
11568	2	Inhibition of RNase Activity of IRE1alpha	The RNase reactions were performed in 384 well black ProxiPlate-384 Plus plates (PERKIN Elmer) using 50 mM Tris assay buffer with 0.5 mM MgCl2, 10 mM KCl, 0.03 % Tween, 2 mM DTT and 1% DMSO. Test compounds were prepared on the day of assay and dispensed using D300 digital dispenser as a 10-point log dilution series in duplicate, normalized to a final DMSO concentration of 4%. Test compounds were pre-incubated for 30 min at room temperature with IRE1&#945; kinase (E31-11G from Signal Chem) in 2.5 L of assay buffer. Then 2.5 l of assay buffer containing substrate (5&#8242; Alexa Fluor 647 - rCrArUrGrUrC rCrGrCrArGrCrGrCrArUrG - Iowa Black RQ quencher 3&#8242;) (SEQ ID NO:1) added, giving a final concentration of enzyme of 0.325 nM and of substrate of 100 nM. After 20 minutes incubation at room temperature the reactions were stopped by added 5 L of 5 M urea, incubated at room temperature for 10 minutes and fluorescence measured on a plate reader (EnVision, PerkinElmer). IC50 values calculated by fitting a sigmoidal curve to percent inhibition of control versus compound concentration.
11569	1	SARS-CoV-2 3C-like (3CL) Protease Fluorescence Assay (FRET)	Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M).
11570	1	PARP-1 Enzymatic Assay	Table 4: T Universal Chemiluminescent PARP Assay kit (purchased from TREVIGEN); PBS (phosphate buffer saline, purchased from Wisent); Triton X-100 (purchased from Macklin); Envision Multimode Plate Reader (PerkinElmer). (I) Preparation of Reagents:1. Washing solution: Triton X-100 was added to 1×PBS with a final concentration of Triton X-100 of 0.1%.2. 1×PARP buffer: The 20×PARP buffer in the kit was 20-fold diluted with water to prepare a 1×PARP buffer, which was used to prepare the compounds, enzyme solutions and substrate solutions.3. 1×Strep-Diluent solution: The 10×Strep-diluent in the kit was 10-fold diluted with water to prepare a 1×Strep-diluent solution.(II) Preparation of Test Compounds:The test compounds were diluted from 200 &#956;M to 2.56 nM. The DMSO concentration was 100%. 2 &#956;L of each of the inhibitors at various concentration gradients was added to a compound intermediate plate, and 38 &#956;L of the 1×PARP buffer was then added. The two were mixed well for use, and the DMSO concentration was 5% at this time.(III) Procedures:a) The 1×PARP buffer was added to a test plate at 50 &#956;L per well, and the test plate was incubated at 25° C. for 30 min.b) After the incubation was completed, the liquid in the test plate was discarded, and each of the compounds at various concentration gradients was pipetted from the compound intermediate plate and added into the test plate at 10 &#956;L per well. The samples were in duplicate.c) The enzyme solution (0.5 IU) was added to the test plate at 15 &#956;L per well. The compound and enzyme were co-incubated at 25° C. for 10 min.d) After the incubation was completed, 25 &#956;L of the 1×PARP Cocktail (comprising 2.5 &#956;L of 10×PARP Cocktail, 2.5 &#956;L of 10× Activated DNA and 20 &#956;L of 1×PARP buffer) was added to each well of the test plate. The test plate was incubated at 25° C. for 1 h. The final concentrations of the compounds were from 2 &#956;M to 0.0256 nM, and the DMSO concentration was 1%.e) After the incubation was completed, the test plate was washed twice with 200 &#956;L of washing solution per well and then washed twice with 200 &#956;L of PBS per well.f) The Strep-HRP in the kit was 500-fold diluted with the 1×Strep-Diluent solution. The resulting solution was added to the test plate at 50 &#956;L per well, and the test plate was incubated at 25° C. for 1 h.g) After the incubation was completed, the test plate was washed twice with 200 &#956;L of washing solution per well and then washed twice with 200 &#956;L of PBS per well.PeroxyGlow A and B in the kit were mixed at a ratio of 1:1, and the mixed solution was added to the test plate at 100 &#956;L per well. 
11570	2	Inhibition Against Cytochrome P450 Isoenzymes	Table 9: The inhibition of the test compound against different subtypes of the human cytochrome P450 isoenzyme was determined. The test compound, a standard inhibitor (100×final concentration) and a mixed substrate working solution were prepared; the microsomes frozen in a refrigerator at &#8722;80° C. were taken out and thawed. 2 &#956;L of a solution of the test compound and the standard inhibitor was added to corresponding wells, and 2 &#956;L of a corresponding solvent was added to a non-inhibitor control (NIC) well and a blank control (Blank) well; then, 20 &#956;L of a solution of mixed substrate was added to corresponding wells except for the Blank well (adding 20 &#956;L of PB to the Blank well); a human liver microsome solution (labeled with the date after use and immediately putting back to a refrigerator) was prepared and then added to all wells at 158 &#956;L per well; the sample plate was put into a 37° C. water bath for pre-incubation, and then a coenzyme factor (NADPH) solution was prepared; after 10 min, the NADPH solution was added to all the wells at 20 &#956;L per well, and the sample plate was shaken to mix well and then incubated in a 37° C. water bath for 10 min; at corresponding time points, 400 &#956;L of cold acetonitrile solution (internal standard: 200 ng/mL tolbutamide and labetalol) was added to stop the reaction; after being mixed well, the mixture in the sample plate was centrifuged at 4,000 rpm for 20 min, and proteins were precipitated; 200 &#956;L of supernatant was collected and added into 100 &#956;L of water, and the mixture was mixed well and then analyzed by LC/MS/MS.
11571	1	LOXL2 AmineOxidase Activity Assay	Table 8: LOXL2 amine oxidase activity was evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media (non BSA-containing) from CHO cells stably expressing human LOXL2. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;L Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/ml Horseradish Peroxidase) were added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
11571	2	Human LOX CCM Assay	Table 9: Human LOX amine oxidase activity was evaluated by measuring Amplex Red fluorescence using 10-20× concentrated conditioned media (BSA-containing) from HEK cells stably expressing human LOX. To assay for amine oxidase activity, 10 &#956;L of the concentrated conditioned media was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer (50 mM Borate Buffer, pH8) for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;l Assay Buffer+0.5 &#956;l of 10 mM Amplex Red+1 &#956;L of 500 U/mL Horseradish Peroxidase) were added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
11571	3	Human LOXL2 Purified Recombinant Protein Assay	Table 9: The amine oxidase activity was evaluated by measuring Amplex Red fluorescence using commercially available purified, recombinant human LOXL2 (Sino Biologicals, Beijing, China). To assay for amine oxidase activity, 10 &#956;L of 0.025 &#956;g/&#956;L purified, recombinant LOXL2 diluted in Assay buffer Buffer (50 mM Borate Buffer, pH8) was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;l Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/mL Horseradish Peroxidase) are added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence is read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity is calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M &#946;APN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
11571	4	Human LOXL3 Purified Recombinant Protein Assay	Table 9: The amine oxidase activity was evaluated by measuring Amplex Red fluorescence using commercially available purified, recombinant human LOXL3 (R&D Systems, Minneapolis, Minn.). To assay for amine oxidase activity, 10 &#956;L of 0.075 &#956;g/&#956;L purified, recombinant LOXL3 diluted in Assay buffer Buffer (50 mM Borate Buffer, pH8) was incubated with 2 &#956;L of test compound in DMSO and 73 &#956;L Assay Buffer for 2 h at 37° C. After the 2 h incubation, 5 &#956;L of 10 mM 1,5-Diaminopentane (DAP) diluted in Assay Buffer and 10 &#956;L of Amplex Red Mix (8.5 &#956;L Assay Buffer+0.5 &#956;L of 10 mM Amplex Red+1 &#956;L of 500 U/mL Horseradish Peroxidase) was added and the plate mixed and immediately placed on the FlexStation for fluorescence measurements. Fluorescence was read in kinetic mode every 2 min for 0.5-1 hour at excitation=544 and emission=590. The amine oxidase activity was calculated from the slope of the linear portion of the curve. Wells containing vehicle (DMSO) represented maximum activity and were set to 0% inhibition and wells containing 100 &#956;M BAPN (3-aminopropionitrile) represented no activity and were set to 100% inhibition.
11572	1	In Vitro Measurements of Human D-Amino Acid Oxidase (hDAAO) Activity Assay	The hDAAO inhibitory activities were measured by using D-Serine as a substrate to produce H2O2. The produced H2O2 would be oxidized by peroxidase, and the produced free radicals would further react with Amplex Red reagent to emit fluorescence. The intensity of fluorescence at 590 nm would be measured to represent the activity of hDAAO. All compounds were dissolved in DMSO. Each compound was diluted with DMSO in 3-fold serial dilution to create a dose response curve. Each sample was added in triplicate, 1 L/well, into 96-well black plates. Positive control wells were added with 1 &#956;L of DMSO. Then 49 &#956;L of assay buffer (100 mM Tris-HCl, pH 8.5) containing 1.2 ng/mL hDAAO, 900 nM FAD, 0.2 units/mL HRP, and 100 &#956;M Amplex Red was added to each well of the plate using a multichannel pipette. Next, 50 &#956;L of 100 mM D-Serine in assay buffer was added. The reaction plates were then incubated in the dark at room temperature. The fluorescence readout was detected at 0 and 20 mins by Molecular Device Gemini EM fluorescence reader using the following settings: excitation filter 530 nm, and emission filter 590 nm. The percentage of inhibition values for each well was calculated with the following equation:The percentage of inhibition=(fluorescence sample, 20 min&#8722;fluorescence sample, 0 min)/(fluorescence DMSO, 20 min&#8722;fluorescence DMSO, 0 min)×100%
11572	2	Inhibition of 3CL Protease (3CLPro) of SARS-CoV-2	To study the inhibitory activities against SARS-CoV-2 3CLPro of test compounds, an assay was determined in vitro by measuring the enhanced fluorescence due to cleavage of the fluorogenic substrate (Dabcyl-KTSAVLQSGFRKME-Edans). For analyzing the inhibition potential, various compounds were dissolved in 1, 8 or 40% dimethyl sulfoxide (DMSO) aqueous solution as the compound stocks. Different concentration of each stocks (5 &#956;l) was pre-incubated with 45 &#956;l reaction mixture (50 nM SARS-CoV-2 viral 3CL protease in 20 mM Bis-Tris, pH 7.4) at 37° C. for 30 minutes. Afterwards, 50 &#956;l of the fluorogenic peptide substrate (6 &#956;M) was added into the mixture and gently mixed to get the final DMSO concentration 0.05, 0.40 or 2.00% solution. The difference of fluorescence intensity resulting from the reaction was measured at 485 nm with excitation at 360 nm using a fluorescence plate reader at 37° C. for 4 min. The protease activity was presented as fluorescence intensity and calculated by the following equation:Inhibition (%)=1&#8722;[(fluorescencesample, 4 min&#8722;fluorescencesample, 0 min)/(fluorescenceddH2O, 4 min&#8722;fluorescenceddH2O, 0 min)]×100%.
11573	1	SARS-Cov-2 3CLpro Inhibition	IC50 values were determined for compounds that covalently inhibit SARS-CoV-2 3CLpro using a recently described assay (Ghosh, A. K. et al. Bioorg. Med. Chem. Lett. 2007, 17, 5876-5880) and data fitting methods that were derived from our previous work on SARS-CoV 3CLpro. The only differences were that pre-incubation of the enzyme with the compounds was 10 minutes instead of 20 minutes. In addition, the Morrison Equation was only used to determine the IC50 value when they were below 1 &#956;M.
11574	1	Human O-GlcNAcase Enzyme Inhibition Assay	5 &#956;l of the appropriate concentration of a solution of inhibitor in McIlvaine&#39;s Buffer (pH 6.5) in 2% DMSO (for a dose response curve calculation) is added into each well of a 384-well plate (Greiner, 781900). Then, 20 nM of His-Tagged hOGA and 10 &#956;M of FL-GlcNAc (Fluorescein mono-beta-D-(2-deoxy-2-N-acetyl) glucopyranoside; Marker Gene Technologies Inc, M1485) were added to the 384-well plate for a final volume of 20 &#956;l. After incubation for 60 min at room temperature, the reaction was terminated by the addition of 10 &#956;L of stop buffer (200 mM glycine, pH 10.75). The level of fluorescence (&#916;exc 485 nm; (&#916;emm 520 nm) was read on a PHERAstar machine. The amount of fluorescence measured was plotted against the concentration of inhibitor to produce a sigmoidal dose response curve to calculate an IC50. All individual data was corrected by subtraction of the background (Thiamet 3 uM=100% inhibition) whilst 0.5% DMSO was considered as the control value (no inhibition).
11575	1	MAP4K4 Kinase Activity Assay	Compounds of the present invention were screened for their inhibitory activity against MAP4K4, versus selected off-target hits found with early members of this chemical series. MAP4K4 kinase activity was monitored using the CisBio HTRF Transcreener ADP assay, a competitive immunoassay with a reproducible Z&#8242;>0.6. In the detection step, endogenous ADP and d2-labeled ADP compete for binding an anti-ADP monoclonal antibody labelled with Eu3+ cryptate. A ratiometric fluorescent read-out is used at 665 and 620 nm. Reactions were performed in the presence of 1% DMSO with ATP added at Km(10 &#956;M), 0.5 nM human MAP4K4 kinase domain (Invitrogen), 1 M biotin-myelin basic protein as substrate (Invitrogen), and extension of reaction time to 2h. Assays were run in Greiner low volume plates with a final reaction volume of 10 &#956;l. The MAP4K4 inhibition data are provided in Table 33 below for selected compounds of the present invention.
11576	1	USP7 Assay A (Ubitquin-Rhodamine110 Assay)	Each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced: Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP7, construct USP7 (208-1102) 6*His, Viva Biotech) in the assay was 62.5 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP7 for 30 minutes and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 minutes at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)).
11576	2	USP7 Assay B (Ubitquin-Rhodamine110 Assay)	Each assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). For follow-up studies, 250 nL of an 8-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates for a final test concentration of 25 &#956;M-11 nM (1.25% DMSO final concentration). Unless otherwise indicated, all follow-up assays were run on triplecate plates. Enzyme (USP7, construct Met (208-1102)-TEV-6*His; Viva Q93009-1) concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was either 75 or 250 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems (biotechne) #U-555) concentration was 25 nM with [Ub-Rh 110]<<Km. Pre-stamped with compounds were either not preincubated or preincubated with USP7 between 30 to 120 minutes prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for either 23 or 45 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
11577	1	Biochemical (FP) Assay	PARP1 and PARP2 protein were expressed, purified, and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCI2, 150 mM NaCI to a final concentration of 20 nM. The PARPi-FL was then added at a final concentration of 3 nM.The assay plate is centrifuged at 1000 rpm for 1 min and incubated for 4 h at room temperature.The fluorescent polarization is read using an Envision plate reader using the following settings: Excitation filter&#151;FITC FP 480-Ex Slot 3, Emission filter-FITC FP P-pol 535-Em Slot 4, 2nd Emission filter&#151;FITC FP S-pol 535-Em Slot 3, Mirror module-FITC FP Dual Enh-Slot 1.
11578	1	USP7 Assay A (Ubitquin-Rhodamine110 Assay)	Each assay was performed in a final volume of 15 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-Glutathione reduced: Sigma #G4251), 0.03% BGG (0.22 &#956;M filtered, Sigma, #G7516-25G), and 0.01% Triton X-100 (Sigma, #T9284-10L). Nanoliter quantities of either an 8-point or 10-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates (Perkin Elmer, ProxiPlate-384 F Plus, #6008269) for a final test concentration range of either 25 &#956;M to 11 nM or 25 &#956;M to 1.3 nM, respectively. The final concentration of the enzyme (USP7, construct USP7 (208-1102) 6*His, Viva Biotech) in the assay was 62.5 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems #U-555) concentration was 25 nM with [Ub-Rh110]<<Km. 5 &#956;L of 2× enzyme was added to assay plates (pre-stamped with compound) preincubated with USP7 for 30 minutes and then 5 &#956;L of 2×Ub-Rh110 was added to assay plates. Plates were incubated stacked for 20 minutes at room temperature before 5 &#956;L of stop solution (final concentration of 10 mM citric acid in assay buffer (Sigma, #251275-500G)).
11578	2	USP7 Assay B (Ubitquin-Rhodamine110 Assay)	Each assay was performed in a final volume of 20 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (1M Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 2 mM CaCl2 (1M Calcium Chloride solution; Sigma #21114) 1 mM GSH (L-Glutathione reduced; Sigma #G4251), 0.01% Prionex (0.22 &#956;M filtered, Sigma #G-0411), and 0.01% Triton X-100. Stock compound solutions were stored at &#8722;20° C. as 10 mM in DMSO. Up to 1 month prior to the assay, 2 mM test compounds were pre-dispensed into assay plates (Black, low volume; Corning #3820) and frozen at &#8722;20° C. Prestamped assay plates were allowed to come to room temperature on the day of the assay. For the screen, 100 nL of 2 mM was pre-dispensed for a final screening concentration of 10 &#956;M (DMSO(fc)=0.5%). For follow-up studies, 250 nL of an 8-point, 3-fold serial dilution in DMSO was pre-dispensed into assay plates for a final test concentration of 25 &#956;M-11 nM (1.25% DMSO final concentration). Unless otherwise indicated, all follow-up assays were run on triplecate plates. Enzyme (USP7, construct Met (208-1102)-TEV-6*His; Viva Q93009-1) concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was either 75 or 250 &#956;M. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, R&D Systems (biotechne) #U-555) concentration was 25 nM with [Ub-Rh 110]<<Km. Pre-stamped with compounds were either not preincubated or preincubated with USP7 between 30 to 120 minutes prior to the addition of 10 &#956;L of 2×Ub-Rh110 to compound plates. Plates were incubated stacked for either 23 or 45 minutes at room temperature before fluorescence was read on the Envision (Excitation at 485 nm and Emission at 535 nm; Perkin Elmer) or on the PheraSTAR (Excitation at 485 nm and Emission at 535 nm; BMG Labtech).
11579	1	Inhibition of rhGAA Determined by Measuring the Residual Activity in the Presence of an Inhibitor in Vitro	The rhGAA enzyme sold under the name Myozyme used comes from residues of perfusions of the recombinant enzyme used for treating, by enzyme therapy, the patients with Pompe disease in the Department of Translational Medical Sciences, University of Naples Federico II (IT). The compounds are solubilized at various concentrations in a 100 mM sodium acetate buffer, pH 4.0, as well as the 4-nitrophenyl-&#945;-D-glucopyranoside substrate (20 mM). After 2 minutes of equilibration of the temperature at 37 C., the rhGAA enzyme in solution in the same buffer is added (total volume: 200 &#956;L). After 2 minutes of reaction at 37 C., a 1M solution of sodium carbonate (800 &#956;L), pH 11.0, is added and the mixture is cooled in ice. The absorbance of the solution is measured at 420 nm at ambient temperature. 
11579	2	Inhibition of rhGAA Determined by Fluopol-ABPP	The inhibiting activity on recombinant human acid &#945;-glucosidase (rhGAA) of the compounds is implemented using the Fluopol-ABPP method (Fluorescence Polarization Activity Based Protein Profiling) described in the publication of Lahav et al., 2017, J. Am. Chem. Soc. 139: 14192-14197. This technique, based on the competition between an inhibitor and a fluorescent probe capable of binding covalently to the active site of an enzyme, makes it possible to measure the affinity of this inhibitor for the active site of the rhGAA enzyme used for these experiments by the laboratory of Professors Herman S. Overkleeft and Johanes M. F. G. Aerts, Leiden Institute of Chemistry, Leiden University (NL), is the enzyme marketed under the name Myozyme . The median inhibiting concentrations (IC50) are determined in the Mcllvaine buffer (citrate-phosphate) 150 mM at pH 5.0, in the presence of 0.1% bovine gamma-globulin (p/v) and 0.5 mg/mL of Chaps detergent (Sigma) in 96-well plates (Griener). The rhGAA enzyme (10 &#956;g/mL) is pre-incubated with solutions of inhibitor (containing 2.5% DMSO that was used to prepare the mother solutions of the compounds) at various concentrations [I] in the buffer, for 45 minutes at 37 C. The tetraaminomethylrhodamine (TAMRA) fluorescent probe in solution (25 nM) in the buffer is next added to the mixture. After 4 hours, the samples are irradiated with a polarized light (&#955;=530 nm) and the fluorescence emitted (&#955;=580 nm) is measured by means of an Infinite M1000Pro (Tecan) spectrofluorimeter.
11580	1	In Vitro Cannabinoid Receptor Activity Assay	Chinese Hamster Ovary (CHO) cells stably expressing either human CB1 or CB2 cDNA and the promiscuous G-protein G&#945;q16 were transferred to each well of a black Costar 96-well optical bottom plate (Corning Corporation). Each plate was incubated at 37 C. for 24 hr to confluence. The culture media was removed from the plates and cells were subsequently loaded with a fluorescent calcium probe (Calcium 5 dye, Molecular Devices) at a final loading concentration of 2 &#956;M in a HBSS-based buffer containing 20 mM HEPES, 1% BSA and 10 &#956;M Probenecid (Sigma) in a total volume of 225 &#956;l. Cells were incubated at 37 C. for 1 hr and then stimulated with various concentrations of a test agent using a FLIPR Tetra plate-reader, which automatically added the agonist at 10 concentration to each well after reading baseline values for 17 sec. Agonist-mediated change in fluorescence (488 nm excitation, 525 nm emission) was monitored in each well at 1 sec intervals for 60 sec and reported for each well. Data were analyzed using Prism software (GraphPad).
11581	1	SHP2 Allosteric Inhibitory Enzyme Activity Assay	SHP2 is allosterically activated by binding of a bis-tyrosyl-phosphorylated peptide to its Src homology 2 (SH2) domain. This later activation step results in the release of the autoinhibitory interface of SHP2, which in turn activates the SHP2 protein tyrosine phosphatase (PTP) and is available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate DiFMUP in a rapid fluorescence assay format.[0511]experiment procedure:(1) Compound preparation:The compounds of the present invention (10 mM stock solution) were diluted to appropriate times with 100% DMSO, and the final test concentrations of the compounds of the present invention were 10 µM, 3.3333 µM, 1.1111 µM, 0.3704 µM, 0.1235 µM, 0.0412 µM, 0.0137 µM, 0.0046 µM, 0.0015 µM, 0.00 µM;(2) Prepare the enzyme reaction working solution:Perform SHP2 enzymatic assays in 96-well black polystyrene plates (flat bottom, low flange, non-binding surface) (Perki Elmer, Cat#6005270) at room temperature using a final reaction volume of 50 µL and the following assay buffer conditions: 60 mM HEPES, 75 mM NaCl, 75 mM KCl, 0.05% BRIJ-35, 1 mM EDTA, 5 mM DTT.(3) Enzyme-catalyzed reaction and data monitoring:Add the compound of the present invention to the corresponding 96-well plate, and set the blank test well without compound and enzyme only with buffer. Thaw SHP2 Activating Peptide (IRS1_pY1172(dPEG8)pY1222) on ice, add 25 µM to each well, then add 0.2 ng of SHP2 protein sample to the corresponding well plate and incubate at room temperature for 1 hour. The surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and allowed to react for 1 hour at room temperature. Fluorescence signals were monitored using a microplate reader (Envision, Perki Elmer) using excitation and emission wavelengths of 340 nM and 450 nM, respectively.(4) Data analysis:Calculation Formula:Suppression&#8196;rate&#8196;%=1-Conversion_sample-Conversion_min/Conversion_max-Conversion_min×100%
11581	2	Electrophysiological Stimulation Protocol	When the whole-cell seal is formed, wait for the current to stabilize for 2 minutes (the current decay is less than 5% within 5 minutes, and the tail current value is greater than500 pA). At this time, the peak value of the tail current is the control current value. The extracellular fluid containing the drug to be tested is then perfused. The same procedure was repeated 3-5 times, exposing each cell to 4-6 increasing concentrations of compounds. Blocking and deactivation of hERG during compound exposure and washout were continuously recorded. When the whole-cell seal was formed, the cell membrane voltage was clamped at -80 mV, depolarized for 2 seconds every 12 seconds, and the clamping voltage was depolarized from -80 mV to -50 mV under a 5-second repolarization pulse of -50 mV. Measure the peak tail current.
11582	1	Inhibition of CYP51A1	Method: Recombinant human CYP51A1 (lanosterol-14a-demethylase) enzyme was coexpressed with CYP reductase in bacterial membranes and the fluorescent substrate BOMCC (a nonnatural substrate that causes increases in fluorescence upon CYP51A1-dependent demethylation) was used to obtain 8-point dose concentration-response curves for each compound.
11583	1	Biochemical Assay	The ADP-GLO Kinase Assay (Promega Corp., Madison, WI) measures ADP formed from a kinase reaction. According to the manufacture, the ADP formed in a kinase assay is first converted into ATP, which is then used to generate light in a luciferase reaction. The luminescence generated correlates with kinase activity. An exemplary experimental setting is described below, though minor adjustments can be made in individual assays. 1. Buffer Preparation40 mM Tris pH7.5; 20 mM MgC12, 0.1 mg/ml BSA, 50 µM DTT Buffer stock1 M Tris, PH7.5, 121.14 g/molAdd 6.057 g to 50 mL H2O, adjust PH to 7.51 M MgCl2, 95.21 g/molAdd 4.7605 g to 50 mL H2OAdd 20 mL 1 M Tris and 10 mL 1 M MgC12to 470 mL ddH2O to get buffer stock, and stock at RT.2. Preparing Fresh 1* Assay BufferReagent [Stock] [Final] Fold Add (mL)DTT (mM) 10 0.05 200 0.015BSA (mg/mL) 100 0.1 1000 0.003buffer stock 3
11584	1	MERTK, AXL, TYRO3 Kinase Homogeneous Time Resolved Fluorescence (HTRF) Assay	Binding assays contained 1 nM kinase (GST-MERTK 578-872, HIS-AXL 473-End, or GST-TYRO 451-890), 0.2 nM terbium labelled antibody (anti-GST or anti-HIS), fluorescein-labeled kinase tracer at its respective kinase Kd, and test compounds in assay buffer consisting of 20 mM Hepes pH 7.5, 10 mM MgCl2, 0.015% Brij-35, 2 mM DTT, and 50 &#956;g/ml BSA. Assays were performed in black, flat-bottom, 1536-well plates. The reactions were incubated at room temperature for 60 minutes, following which the HTRF signals, ratio of fluorescence intensities at emission wavelengths for fluorescein acceptor (520 nm) and terbium donor (495 nm), the 520/495 ratio, were measured on the Envision Plate reader. Inhibition data were calculated from the 520/495 ratio generated by the no protein control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition, and dose response curves generated to determine the concentration required for inhibiting 50% of the HTRF signal (IC50). Compounds were dissolved at 10 mM in dimethylsulfoxide (DMSO) and evaluated at eleven concentrations.
11585	1	Enzyme Assay	In this assay, CSNK1D phosphorylates a substrate peptide PLSRTL-pS-VASLPGL in the presence of ATP. This substrate peptide has been modeled after the sequences surrounding three main cyclic AMP-dependent protein kinase sites of glycogen synthase. This assay monitors CSNK1D kinase activity by measuring the amount of ADP produced in the assay. A substrate mix is prepared by diluting peptide substrate (final concentration 150 &#956;M) with ATP (final concentration 20 &#956;M) in assay buffer (50 mM Tris/HCl pH 7.4+10 mM MgCl2+1 mM DTT+0.1% BSA). The substrate mix is added to each well of a low volume, 384-well, white opaque plate. Test compounds were diluted in HBSS and added in a dose-response to the plate. To start the reaction, 2 nM of constitutively active human recombinant GST cleaved CSNK1D (University of Dundee, clone DU 19064, stored at 0.28 mg/mL in 50 mM Tris/HCl pH 7.5, 150 mM NaCl, 270 mM Sucrose, 0.1 mM EGTA, 0.1% 2-mercaptoethanol, 0.02% Brij-35.1 mM benzamidine, 0.2 mM PMSF) was added to each well and the plate centrifuged for 5 minutes at 1500 rpm. The total volume of each reaction is 5 ul (2 &#956;L of substrate mix, 1 &#956;L of diluted compounds, and 2 &#956;L of human recombinant CSNK1D). The plates are incubated for 45 minutes at room temperature.
11586	1	Biochemical Assay (Z-AAT Elastase Activity Assay)	Assay Protocol: Pre-Incubation of Z-AAT with Compounds1. 7.5 &#956;L of Z-AAT (20 nM) was incubated with compounds 1-227 in a GCA plate for 1 hour at room temperature. Addition of hNE1. 7.5 ul of HNE solution (3 nM in PBS+0.01% BRIJ35) added into GCA plate2. Incubate plate for 30 minutes to allow Z-AAT/HNE suicide complex formation. Addition of Substrate and Read Plate on PE Envision1. 7.5 &#956;L of substrate (300 &#956;M solution of elastase substrate (ES V) in PBS+0.01% BRIJ35) dispensed per well into GCA plate2. Immediately read on Envision.
11587	1	CSNK1A1 Inhibitory activity Assay 2	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 mM=>final conc. in the 5 &#956;L assay volume is 1 mM) and peptide substrate (167 &#956;M=>final conc. in the 5 &#956;L assay volume is 100 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22 C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22 C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer).
11587	2	CSNK1D-Inhibitory Activity Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1D, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV3665) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide Btn-Ahx-SGSEGDSESGEEEG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1D in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) and peptide substrate (50 &#956;M=>final conc. in the 5 &#956;L assay volume is 30 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 C. The concentration of CSNK1D was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.5 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22 C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22 C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer). 
11587	3	CSNK1A1 High ATP Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 mM=>final conc. in the 5 &#956;L assay volume is 1 mM) and peptide substrate (167 &#956;M=>final conc. in the 5 &#956;L assay volume is 100 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22 C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22 C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer).
11587	4	WT-EGFR Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.33 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 7.6 pg/&#956;L. The reaction was stopped by the addition of 3 &#956;L of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66-Tb-cryptate PT66-Eu-Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Tb-Cryptate. 
11587	5	CSNK1A1 Inhibitory Activity Asaay 1	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany). For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 mM=>final conc. in the 5 &#956;L assay volume is 1 mM) and peptide substrate (167 &#956;M=>final conc. in the 5 &#956;L assay volume is 100 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22 C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22 C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer).
11588	1	RIP2 Kinase Assay	GST-tagged recombinant human RIPK2(25 ng) is incubated with 5 µL of compounds (0.5% DMSO), 5 µL of MBP (0.5 µg/µl) and 5 µL of ATP (25 µM) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 µM DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 60 minutes. After the incubation, 25 µL ADP-Glo reagent was added, and the reaction was incubated at 30° C. for 40 minutes to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 µL per well of detection reagent. Luminescence was detected after 30 minutes room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software or SigmaPlot 13.0.
11588	2	C-abl Kinase Assay	c-Abl kinase activity was measured by Promega s ADP-Glo Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/ l) is incubated with 5 L of compounds (0.5% DMSO), 5 L of Abltide (0.01 g/ l) and 5 L of ATP (25 M) in buffer (50 mM HEPES,7.5; 10 mM MgCl2; 1 mM EGTA; 0.05% BSA; 0.01% Tween-20; 2 mM DTT.). The assay was started by incubating the reaction mixture in a 96-well plate at 30 C. for 30-min. After the incubation, 25 L ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 L per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and Sigma Plot 13.0.
11588	3	LRRK2 and LRRK2 G2019S Kinase Assay	The LRRK2 and LRRK2 G2019S kinase assays were performed using the AdaptaTM technology in ThermoFisher Scientific. This experiment was carried out according to the supplier s protocol. Briefly, assay conditions were as follows. The mixture of substrate (LRRKtide) and each kinase was prepared in 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. Assays were performed in the presence of 70 M ATP and 100 M ATP (KmATP) in LRRK2 and LRRK2 G2019S, respectively. The reaction was progressed at room temperature for 1 hour. Upon completion of kinase reaction, 5 L of Detection Mix was added and after 60 min incubation time, the emission ratio of 665/615 nm was calculated.
11589	1	Biochemical Assay	Compounds were tested for binding to GDP-loaded KRAS G12D in a 384-well assay format using a TR-FRET probe displacement assay in buffer consisting of 50 mM Hepes (pH 7.4), 150 mM NaCl, 5 mM MgCl2 and 0.005% Tween-20. 0.5 nM enzyme was used in this assay with 0.25 nM Eu-streptavidin and 200 nM (2×KD) Cy-5 labelled probe. Compounds were serially diluted (1:3) in DMSO. The LabCyte ECHO Acoustic dispenser system was used to pre-spot the assay plates (384-well Non-Binding Surface plates, Corning, Catalog #3824) with 50 nL of compound. The compounds were pre-incubated with 5 &#956;L of 2× final enzyme concentration for 30 minutes before adding 5 &#956;L of 2× final concentration of Eu-streptavidin and TR-FRET probe (10 &#956;L final reaction volume). The plates were incubated at room temperature for 2 hours before measuring TR-FRET ratio on the Envision plate reader. IC50 values were defined as the compound concentration that causes a 50% decrease in TR-FRET ratio and were calculated using a sigmoidal dose-response model to generate curve fits.
11590	1	Ras-SOS Interaction Assay	The assay buffer can contain 5 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 1 mM DTT, 0.05% BSA, 0.0025% (v/v) Igepal and 100 mM KF. A Ras working solution is prepared in assay buffer containing typically 10 nM of the protein construct (e.g., GST-tagged hK-Ras G12C) and 2 nM of the FRET donor (e.g., antiGST-Eu(K) from Cisbio, France). A SOS1 working solution is prepared in assay buffer containing typically 10 nM of the protein construct (e.g., His-hSOS1) and 10 nM of the FRET acceptor (e.g., anti-6His-XL665 from Cisbio, France). An inhibitor control solution is prepared in assay buffer containing 10 nM of the FRET acceptor without the SOS1 protein. A fixed reaction mixture with or without test compound is transferred into a 384-well plate. Ras working solution is added to all wells of the test plate. SOS1 working solution is added to all wells except for those that are subsequently filled with the inhibitor control solution. After approximately 60 min incubation, the fluorescence is measured with a M1000Pro plate reader (Tecan) using HTRF detection (excitation 337 nm, emission 1: 620 nm, emission 2: 665 nm). 
11591	1	In Vitro Assay-SREBP-2	10,000 cells/well of the PathHunter U2OS SREBP-2 Nuclear Translocation Cell Line are plated in quadruplicate on 384 well plates in 20 &#956;L of AssayComplete cell plating 5 reagent (CP5-high serum) overnight at 37° C./5% CO2. A dilution series of test compound is added to cells, incubated for 1 hour at 37° C./5% CO2, and U18666A (a known SREBP agonist) is added to a final concentration of 10 &#956;M. The plate is incubated overnight (16 hours) at 37° C./5% CO2. PathHunter Flash detection mix is added to the wells, incubated one hour in the dark, and the plate read on an Envision luminometer.
11591	2	In Vitro Assay-LXR&#946;	PathHunter NHR CHO cells stably transfected with tagged full-length human LXR&#946; and a nuclear fusion protein containing Steroid Receptor Co-activator Peptide (SRCP). The full-length human LXR&#946; was tagged with the ProLink component of the DiscoverX Enzyme Fragment Complementation (EFC) system and the SRCP domain is fused to the enzyme acceptor component (EA) expressed in the nucleus. Cells were seeded in a total volume of 20 &#956;L into white walled, 384-well microplates and incubated at 37 C. overnight prior to testing. Assay media contained charcoal-dextran filtered serum to reduce the level of hormones present. Final assay vehicle concentration was 1%. Assay signal was generated through a single addition of 12.5 or 15 &#956;L (50% v/v) of PathHunter Detection reagent cocktail, followed by a one-hour incubation at room temperature. Microplates were read following signal generation with a PerkinElmer Envision instrument for chemiluminescent signal detection.
11592	1	Isothermal Titration Calorimetry (ITC)	All ITC experiments for the ester series compounds were carried out at 25 C. on a MicroCal Auto iTC200 (GE Healthcare) instrument. The buffer used in the titrations of the compounds belonging to the ester series was 50 mM phosphate buffer, pH 6.5 and the concentration of DMSO was 2% v/v for all the compounds, unless otherwise stated in Table 51. Final compound solutions were heated to 65 C. and/or sonicated prior to the experiment. Each experiment consisted of an initial injection of 0.4 &#956;L followed by nineteen 2 &#956;L injections and in most of cases for these compounds, the continue injections protocol was used leaving the cell intact and performing a second series of titrations using the above protocol to achieve saturation. Control experiments were performed, where each compound was titrated into buffer and when small amount of heat was detected due to heat of dilution, it was subtracted when processing the data using a linear fit method. In all cases the first injection was omitted from the data processing. All data were analysed using the MicroCal PEAQ-ITC Analysis software. Because some compounds have affinity that lie in the low-mid micromolar range and the c value (Wiseman constant) is very small, a fixed stoichiometry to 1 was applied during the non-linear regression of the raw data for fitting the data (Tellinghuisen, J., Isothermal titration calorimetry at very low c. Analytical biochemistry, 373 (2), 395-7, 2008). Control runs on literature compounds were run as a control at the end of each experiment to verify that CypA remained active during the duration of the experiment.
11592	2	Surface Plasmon Resonance (SPR) Assay	Pure His-cyclophilins were immobilized and covalently stabilized on the NTA sensor chip according to the protocol described in Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions&#151;identification of a new nonpeptide inhibitor using Biacore T200. Using 200 nM concentrations of each protein, in Running Buffer (PBS, pH 7.4; 0.05% surfactant P20, 2% v/v ethanol; 50 &#956;M EDTA), at 30 &#956;l min&#8722;1 with 60 second contact times on the activated NTA surfaces. This gave signals of 1,921 RU for His-CypA, 1932 RU for His-CypB and 1,397 RU for His-CypD. Specific surface protein activity was assayed by passing saturating amounts of CsA (2 &#956;M) in Running Buffer over these surfaces; values of 94.1%, 95.5% and 95.6% activity were obtained for His-CypA, -B and -D, respectively.
11593	1	Isothermal Titration Calorimetry (ITC)	ITC studies were carried out using a Microcal ITC200 instrument (GE Healthcare). Protein concentration was determined by spectrophotometry by measuring the absorbance at 280 nm using a theoretical molar extinction coefficient of 169,140 M&#8722;1cm&#8722;1. Ligand stock solutions were prepared in DMSO at 62.5 mM concentration. The titrations were performed at 25° C. with 7.5-100 &#956;M E. Coli LeuRS in 50 mM HEPES, 150 mM NaCl, pH 7.5 buffer containing 1% DMSO (v/v). The protein solution in the 280 &#956;L sample cell was titrated with the inhibitor solution (diluted to 75-3000 &#956;M in the same buffer as the protein) using 1-2 &#956;L injections every 120-140 seconds. All titrations were repeated at least two times. To correct for heats of dilution and mixing, the final baseline consisting of small peaks of identical size at the end of each experiment was subtracted. The experimental data were fitted to a theoretical titration curve (one site model) using MicroCal Origin 7 SR4 software. The arithmetic mean±standard deviation (SD) of K, &#916;H, &#916;S values from at least three experiments are shown in the following table.
11594	1	Biological Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.
11595	1	Qube Assay	The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 Mg Cl2, 10 HEPES, 12 Dextrose; External buffer for Qube NaV1.5 recording: 120 N-Methyl-D-Glucamine, 40 NaCl, 1 KCl, 2.7 CaCl2, 5 HEPES, 0.5 MgCl2; and Internal buffer for Qube recording: 120 CsF, 30 CsCl, 10 EGTA, 5 HEPES, 5 NaF, 2 MgCl2.
11596	1	Biochemical (FP) Assay	Assays based on fluorescent polarization (FP) have been widely utilized in drug discovery due to the homogenous format, robust performance and lack of interference seen in other assays. To characterize our compounds, we utilized an assay measuring the displacement of a commercially available fluorescently labeled PARP 1/2 inhibitor (PARPi-FL, Tocris Biosciences, #6461) as exemplified in assays performed in WO2014/064149 and WO2021/013735A1. The assay was performed utilizing the following method:Compounds were dissolved in DMSO an Echo550 liquid handler was utilized to make serial dilations in the desired concentration range in Optiplate-384F plates. 100% DMSO was used for the high (with protein) and low (without protein) control samples. 20 nL of compound or DMSO alone was added to individual assay plate wells.PARP1 and PARP2 protein were expressed, purified, and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCl2, 150 mM NaCl to a final concentration of 20 nM. The PARPi-FL was then added at a final concentration of 3 nM.The assay plate is centrifuged at 1000 rpm for 1 min and incubated for 4 h at room temperature.
11597	1	Fluorescence Direct Binding Assay	Determination of the affinities of compounds to protein containing one or more tryptophan is measurable by monitoring the fluorescence emission in direct mode. The measurements depending on the protein available amounts are performed either manually in a cuvette on ISS-PC1 photon counting spectrofluorometer or automatically in well plates on a fluorescence plate reader device. Fluorescence titrations are performed at 20° C. in the chosen binding assay buffer by using a defined constant protein concentration against ligand concentration variations. Small aliquots of known ligand concentration solubilized in DMSO were added and the fluorescence, excited at 280 nm, was recorded at 340 nm. The fluorescence intensity was corrected for protein dilution and for the filter effect (Birdsall et al.72). The corrected fluorescence intensity was plotted against the ligand concentration and fitted using a four-parameter sigmoidal function, from which the equilibrium dissociation constant Kd was computed using the law of mass action assuming a 1:1 protein-ligand complex (Eftink, 199773).Process1) Optimization of measurement parameters to minimize protein consumption and to minimize the dilution effect and the DMSO content2) Titration measurements of the protein against ligand by at least 12 titration steps to obtain a good s-curve fit3) Repeat the same titration measurements with the ligand alone to enable correction4) Check the stability of the protein once by titration against DMSO alone5) Determination of the molar extinction coefficients of the ligand at 280 and 340 nm with help of an UV-spectrophotometer6) Use Excel template for the correction of the measured raw data7) Use GraphPad Prism software for the quadratic binding fit and the KD evaluation.
11598	1	MAGL Inhibitory Activity Assay	The 4-NPA assay was carried out in 384 well assay plates (black with clear bottom, non-binding surface treated, Corning Ref. 3655) in a total volume of 40 &#956;L. Compound dilutions were made in 100% DMSO (VWR Chemicals 23500.297) in a polypropylene plate in 3-fold dilution steps to give a final concentration range in the assay from 25 &#956;M to 1.7 nM. 1 &#956;L compound dilutions (100% DMSO) were added to 19 &#956;L MAGL (recombinant wild-type) in assay buffer (50 mM TRIS (GIBCO, 15567-027), 1 mM EDTA (Fluka, 03690-100 ml)). The plate was shaked for 1 min at 2000 rpm (Variomag Teleshake) and then incubated for 15 min at RT. To start the reaction, 20 &#956;L 4-Nitrophenlyacetate (Sigma N-8130) in assay buffer with 6% EtOH was added. The final concentrations in the assay were 1 nM MAGL and 300 &#956;M 4-Nitrophenylacetate. After shaking (1 min, 2000 rpm) and 5 min incubation at RT, the absorbance at 405 nm was measured for a first time (Molecular Devices, SpectraMax Paradigm). A second measurement was then done after incubation for 80 min at RT. From the two measurements, the slope was calculated by subtracting the first from the second measurement.
11599	1	Binding Activity of the Compounds of the Present Disclosure for SUR1 Receptor	Procedures:a) 100 &#956;L of reaction buffer was added to each well of a 96-well deep-well plate.b) 5 &#956;L of diluted test compound (1% DMSO) was added to each well of the 96-well deep-well plate.c) 30 &#956;L of SUR1 membrane protein and 270 &#956;L of reaction mixture were added to each well, and the plate was shaken at 600 rpm for 5 min.d) A mixed solution of 100 &#956;L of reaction buffer and [3H]-Glibenclamide (final concentration of 2 nM) was added to the reaction system, and the plate was shaken at 600 rpm for 5 min and incubated at 37° C. for 1 h.e) A UNIFILTER-96 GF/B plate was pretreated with 0.5% PEI, and 150 &#956;L of 0.5% PEI was added to each well. The plate was incubated at 4° C. for 1 h.f) The UNIFILTER-96 GF/C and UNIFILTER-96 GF/B plates were washed twice with Universal Harvester, each time with 50 mL of washing solution.g) The SUR1 receptor reaction system was transferred to a UNIFILTER-96 GF/B plate with Universal Harvester, and 900 &#956;L of washing solution was added to each well to wash the GF/B plate 4 times. The washed UNIFILTER-96 GF/B plate was dried in an oven at 55° C. for 10 min.h) 40 &#956;L of ULTIMA GOLD scintillation solution was added to each well, and the plate was read using Microbeta.
11600	1	Enzymatic Assay	All compounds were prepared as 10 mM stock solutions in DMSO and a 16 pt dilution series in DMSO with a dilution factor of 2.5 was prepared. 1 &#956;L of DMSO dilution series was transferred to 32.3 &#956;L reaction buffer, mixed by pipetting up/down, spun for 1 minute at 3000 rpm and was visually inspected for precipitation. 5 &#956;L of 3-fold enzyme stock solution were transferred to an empty 384-well Black/Clear Flat Bottom Polystyrene NBS (Corning) rows 3-24. Rows 1-2 were filled with assay buffer. Plates were spun 10 seconds at 1000 rpm (164×g). 5 &#956;L of compound intermediate dilution was added and mixed by pipetting up/down to rows 3-24. Rows 1-2 were filled with 3.1% DMSO assay buffer. Plates were spun 10 seconds at 1000 rpm (164×g). 5 &#956;L 3-fold Nucleotide/DNA mix was added to all wells to start the reaction. Plates were spun 10 seconds at 1000 rpm (164×g) and incubated for 4 hour at room temperature (RT) in the dark. 5 &#956;L 4 U/mL PPase (Sigma) were added to all wells. Plates spun 10 seconds at 1000 rpm (164×g). 10 &#956;L BioMol green Solution (Enzo Life Sciences) was added to all wells. Plates spun 10 seconds at 1000 rpm (164×g) and incubated 30 minutes at RT in the dark. Absorbance data was collected 620 nm on an EnVision Multilable Reader (Perkin Elmer) and the following measurement settings were used: excitation filter photometric was 620 nm; excitation from the top; measurement height was 1 mm; number of flashes was 30; number of flashes integrated was 1.All plates are checked for abnormalities and outliers in the Blank Control (no protein, row 1) and the Neutral Control (no compound, row 2) are excluded using the 3*SD rule. Data was normalized to 0 and 100% by Blank and Neutral Control and each curve was fitted and judged using the 4 parameter logistic equation to determine the IC50 for cGAS inhibition.
11601	1	In Vitro Binding of Compounds to RBP4	Compound binding to RBP4 was assessed in the radiometric scintillation proximity (SPA) assay that was previously described (Cioffi, C. L. et al. 2014; Cioffi, C. L. et al. 2015; Cioffi, C. L. et al. 2019). The assay measured competitive displacement of radiolabeled retinol from native RBP4 purified from human urine (Fitzgerald, 30R-AR022L). The protein was biotinylated using the EZ-link Sulfo-NHS-LC-Biotinylation kit from ThermoFisher (Cat #21335) as recommended by the manufacturer. Binding assays were implemented in a final volume of 100 &#956;L in SPA buffer (1×PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The assay reaction included a radiligand, 10 nM 3H-retinol (48.7 Ci/mmol; PerkinElmer, Waltham, MA), along with the 0.3 mg/well Streptavidin-PVT beads (PerkinElmer, RPNQ0006) and 50 nM biotinylated human RBP4. Unlabeled retinol (Sigma, cat #95144) at 20 &#956;M was added to control wells to assess a nonspecific binding. Radioactivity counts were measured using CHAMELEON plate reader (Hidex Oy, Turku, Finland) after 16 h of incubation at room temperature (rt) with mild shaking.
11601	2	Fluorescence Polarization TTR Tetramer Binding Assay	Compound binding to TTR was assessed in the fluorescence polarization assay. The assay measured competitive displacement of the fluorescent probe, FITC-diclofenac, from TTR isolated from human plasma (Clabiochem-Millipore, cat. No. 52957). FITC-diclofenac was synthesized at LeadGen Labs, LLC following the published procedure (Alhamadsheh, M. M. et al. 2011). Each well contained 200 nM TTR and 100 nM FITC-diclofenac in the FP buffer (10 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% CHAPS, 0.01% Prionex) along with test compounds. Nonspecific binding was determined in the presence of 500 &#956;M unlabeled diclofenac (Sigma-Aldrich). Reactions with test compounds were incubated overnight at 4° C. and FP was measured on SpectramaxM5e plate reader (Molecular Devices).
11602	1	Test for 5-HT2A Antagonistic Activity	CHO-K1/5-HT2A cells in the logarithmic growth phase were seeded into a 384-well plate at a density of 10000 cells per well, and cultured in a 37° C., 5% CO2 incubator for 16-24 h. After that, centrifugation was performed to remove the culture medium in the cell culture plate. Dye was added, and the cells were incubated in a 37° C., 5% CO2 incubator for another 1 h. The cell culture plate was placed on the FLIPR. A compound to be tested was added, and the Ca2+ signal was detected, wherein the compound to be tested was subjected to 3-fold gradient dilution with PBS to obtain 10 concentrations, with the highest concentration of 10 uM, and double replicate wells were set up. 100 nM a-methyl-5-HT was added 15 min later, and the Ca2+ signal was detected again, wherein the value obtained by only adding 100 nM a-methyl-5-HT was taken as the maximum signal. In order to determine the test stability, risperidone was used as a positive control. The data were processed with GraphPad Prism 7.0 to obtain a cell inhibition rate curve, and the IC50 was calculated.
11602	2	Screening for 5-HT2A Inverse Agonistic Activity	NIH3T3-5HT2AR cells in the logarithmic growth phase were seeded into a white-wall clear-bottom 96-well plate at a density of 1000 cells per well, and cultured overnight in a 37 C., 5% CO2 incubator. The next day, a compound to be tested was added to the cells, wherein the compound to be tested was subjected to 3.16-fold gradient dilution with PBS to obtain 9 concentrations, with the highest concentration of 10 uM, and double replicate wells were set up for each concentration; and PBS was used as a negative control group, and pimavanserin with the same concentration was used as a positive control group. After the addition, the cells were cultured in a 37 C., 5% CO2 incubator for another 120 h. On the sixth day, a Bright-Glo Luciferase reagent with a volume equal to that of cell sap was added to the cells, and the cells were incubated at room temperature in the dark for 20 min. The plate was shaken every 5 min with a plate shaker, the luminescent intensity was detected by a microplate reader, and the cell inhibition rate was calculated. The data was processed with GraphPad Prism 7.0 to obtain a cell inhibition rate curve, and the IC50 was calculated. 
11602	3	Electrophysiological Assay	CHO (Chinese Hamster Ovary) cells stably expressing hERG potassium channels were taken, and hERG potassium channel currents were recorded at room temperature by means of a whole-cell patch-clamp technique. A glass microelectrode was formed by pulling a glass electrode blank (BF150-86-10, Sutter) with a glass microelectrode puller. The tip resistance was about 2-5 M&#937; after perfusion of a pippette solution. The glass microelectrode could be connected to a patch clamp amplifier by inserting the glass microelectrode into an amplifier probe. Clamping voltages and data recording were controlled and recorded by a computer with pClamp 10 software, with a sampling frequency of 10 kHz and a filtering frequency of 2 kHz. After the whole-cell recording was obtained, the cells were clamped at &#8722;80 mV, and the step voltage evoking hERG potassium current (I hERG) was changed from &#8722;80 mV to +20 mV by giving a 2 s depolarization voltage and then repolarized to &#8722;50 mV for 1 s, and returned to &#8722;80 mV. Such voltage stimulation was given every 10 s, and the administration process was started after it was determined that the hERG potassium currents were stable (1 min). The compound at each test concentration was given at least 1 min, and at least 2 cells (n&#8805;2) were tested for each concentration.
11603	1	SOS1 KRas(G12C) FRET Assay	Inhibition of the SOS 1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Acad Sci USA (2019); 116(7):2551-2560) and recombinant His10-SOS1 (res. 564-1049; purified based on Hillig, et al.). The final assay was performed at 20 uL with 0.5 nM SOS1 protein and 2.5 nM KRAS protein in a buffer of PBS, 0.1% BSA, 5 mM MgCh, 0.0025% Igepal, 100 mM KF, 5 mM DTT in a white 384 square well OptiPlate (PerkinElmer, Cat. 6007290). A 2x KRAS working solution was prepared in an assay buffer containing 5 nM GST-KRAS G12C and 2 nM anti-GST-Eu(K) (Cisbio, Cat. 61GSTKLA) and pre-incubated for 15 minutes at 25° C. Compounds were serially diluted in 100% DMSO from 2 mM (positive control, compound 1-13, PCT Publ. No. WO2018/115380) or 20 mM and then diluted 1:20 in assay buffer before incubation with a solution of SOS1 protein mixed 1:5 with anti-6His-XL665 FRET donor (Cisbio, Cat. 61HISXL) for 15 minutes at 25° C. before addition of 2x KRAS working solution. The final DMSO concentration is 0.5%. Plates were incubated at RT for 2 hrs before the FRET signal was measured using Envision at emission 665 nm and 615 nm. FRET signal was converted to percentage of protein-protein interaction using the following equation:%Inhibition=100%-C-N/P-N*100%C: signal with compound treatmentP: signal for positive control (DMSO)N: signal for negative control (no SOS1 added).
11603	2	Surface Plasmon Resonance (SPR) SOS1 Binding AssaySurface Plasmon Resonance (SPR) SOS1 Binding Assay	Binding to SOS1 was measured using a SPR assay with purified recombinant human SOS1 substrate (res. 564-1049 with N-terminal Avi tag; purified and biotinylated based on Hillig, et al., Proc Natl Acad Sci USA (2019); 116(7):2551-2560). SPR measurements were performed on a Biacore 8K SPR instrument (GE Healthcare, Sweden). Assays were performed at 25° C. using Series S SA sensor chips pre-coated with streptavidin (GE Healthcare, Cat. BR100531). Biotinylated SOS1 diluted in sample buffer (20 mM Tris HCI, 150 mM NaCl, 1 mM DTT, 0.05% TWEEN 20, 1 mM MgCh, pH 8.0) was captured to one flow cell of the chip to about 3,000 resonance units (RU) using sample buffer supplemented with 5% DMSO as a running buffer. Serial dilutions of the assayed compounds in the running buffer at 100, 50 or 0.5 µM were injected for 60 s at a flow rate of 30 µL/min and association phases were recorded. Dissociation of the samples was monitored for 600 s. Data processing was performed using Biacore Insight Software (Biacore, GE Healthcare). Sensorgrams recorded on a SA flow cell without captured protein were subtracted from sensorgrams recorded on the SOS1 surface. Blank injections of running buffer were used for double referencing and solvent correction was applied to all sample sensorgrams to correct for buffer mismatches. KDS were estimated using a kinetic or steady state, where applicable, fitting model describing a reversible equilibrium with 1:1 binding between SOS1 and the compound.
11604	1	FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays	 A mixture of forskolin (5 M final for FPR2 or 10 M final for FPR1) and IBMX (200 M final) were added to 384-well Proxiplates (Perkin-Elmer) pre-dotted with test compounds in DMSO (1% final) at final concentrations in the range of 0.020 nM to 100 M. Chinese Hamster Ovary cells (CHO) overexpressing human FPR1 or human FPR2 receptors were cultured in F-12 (Ham s) medium supplemented with 10% qualified FBS, 250 g/ml zeocin and 300 g/ml hygromycin (Life Technologies). Reactions were initiated by adding 2,000 human FPR2 cells per well or 4,000 human FPR1 cells per well in Dulbecco s PBS (with calcium and magnesium) (Life Technologies) supplemented with 0.1% BSA (Perkin-Elmer). The reaction mixtures were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange cAMP assay reagent kit (Cisbio) according to manufacturer s instruction. Solutions of cryptate conjugated anti-cAMP and d2 flurorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1-h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 1 M to 0.1 pM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
11605	1	Biological Assay	The inhibitory activity of compounds is determined in competitive binding assays. This spectrophotometric assay measures the binding of biotinylated human Gal-3 (hGal-3) or human Gal-1 (hGal-1), respectively, to a microplate-adsorbed glycoprotein, asialofetuin (ASF) (Proc Natl Acad Sci USA. 2013 Mar. 26; 110(13):5052-7.). Alternatively, and preferably, a human Gal-1 version in which all six cysteines are substituted by serines may be used. Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 &#956;L/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 &#956;L of compound working dilutions are added and mixed. Plates are incubated for 3 hours at 4° C., then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 &#956;L/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 &#956;L/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
11606	1	BPGM Synthase Assay	The following materials were used in this assay: deionized water; Bisphosphoglycerate mutase (BPGM; Standard Buffer: 50 mM Tris, 0.01% Tween 20, pH 7.4); BPGM Reaction Buffer (50 mM Tris, 0.01% Tween 20, 3.23 mM KH2PO4, pH 7.4); dithiothreitol (DTT; Stock solution: 100 mM in Standard Buffer); 384-Well Black Assay Plate (Corning, P/N 3575); DMSO; BPGM Stock Solution (500 nM in BPGM Standard Buffer); Glyceraldehyde 3-phosphate dehydrogenase (GAPDH; Stock Solution: 40 U/mL in 20 mM Tris-HCL Buffer with 20% Glycerol, 1 mM EDTA, 1 mM DTT); Glyceraldehyde 3-phosphate (GAP; Stock Solution: 20 mM in BPGM Standard Buffer); 3-PG Stock Solution (500 &#956;M in BPGM Standard Buffer); Nicotinamide adenine dinucleotide (NAD; Stock Solution: 50 mM in BPGM Standard Buffer); Koningic Acid (1 mM Stock in DMSO); Resazurin Stock Solution (10 mM in DMSO); Diaphorase Stock Solution (40 U/mL in BPGM Standard Buffer); DTT Reaction Buffer (1 mM DTT in BPGM Reaction Buffer); Enzyme Solution (5 nM BPGM, 0.4 U/mL GAPDH in DTT Reaction Buffer); GAPDH Solution (0.4 U/mL GAPDH in DTT Reaction Buffer); Substrate Solution (2 mM NAD, 20 &#956;M 3PG, 800 &#956;M GAP in DTT Reaction Buffer); and Resazurin Solution (5 U/mL Diaphorase, 500 &#956;M Resazurin in BPGM Standard Buffer). To the assay plate was added Enzyme Solution (20 uL) to columns 2-22 and 24 of the assay plate. To columns 1 and 23 was added GAPDH Solution (20 uL). A separate compound plate was prepared at the desired concentrations and all wells were normalized with 5% DMSO. The compound plate was incubated for 30 minutes at RT. Next, the substrate solution (20 &#956;L) was dispensed to all reaction wells and the plate was incubated for 60 minutes at RT. Koningic acid (1 &#956;L) was added and the plate was incubated for 10 minutes at RT. During this time period, the NADH fluorescence was read at ex: 360/em: 460. Next, Resazurin Solution (10 &#956;L) was added to all reaction wells and the plate was incubated for 30 minutes at RT. The resorufin fluorescence was then read at ex:544/em:590.
11606	2	BPGM Phosphatase Assay	The following materials were used in this assay: Tris buffer (50 mM Tris, 0.01% Tween 20, pH 7.4); cyclohexylammonium salt of 2,3-BPG (stock solution of 500 mM in ultrapure distilled water; human Bisphosphoglycerate mutase (hBPGM; stock solution of 110 &#956;M in Standard Buffer); 3-Phosphoglyceric acid (3-PG; stock solution of 100 mM in ultrapure distilled water); 384-Well Polystyrene Plates (Fisherbrand , Catalog No.: 12-566-625); BIOMOL GREEN REAGENT (Enzo life sciences, BML-AK111-0250); and 1 mM DMSO stock of exemplary compounds. A 3-PG enzyme mix solution (final enzyme concentration 62.5 nM, 3-PG concentration at 50 M, 14.5 uL) was added to onto a 384-well clear plate. Solutions of the test compounds were then added to the plate and the DMSO content was normalized across the plate. The plate was incubated at RT for 15 min. Next, the substrate 2,3-BPG (5 &#956;L) was added to all the wells, and the plate was sealed and incubated for 24 hr at RT. After incubation, BIOMOL green dye (40 &#956;L) was added to all the wells, the plate was shaken to mix, and the plate was incubated at RT for 20-30 min. Absorbance measurements were recorded at 620 nm.
11607	1	Inhibition of SIK; Abl and Src Kinases by Other Kinase Inhibitor	The IC50 for the inhibition of ABL1 by dasatinib, by C7 and by B3 is approximately 1.5 nM, 5.1 nM and 1.6 nM, and of SRC is 1.5 nM, 1.5 nM and 1.5 nM; each, respectively for dasatinib, C7 and by B3 (Table 3A). The compound C12 is also a strong inhibitor of SRC (<100 nM IC50), and is selective to SRC over ABL1. Briefly, a radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of the five protein kinases. All kinase assays were performed in 96-well FlashPlates&#153; from PerkinElmer (Boston, MA, USA) in a 50 uL reaction volume. The reaction cocktail was pipetted in four steps in the following order:25 uL of assay buffer (standard buffer/[gamma-33P]-ATP)10 uL of ATP solution (in water)5 uL of test compound (in 10% DMSO)20 uL enzyme/substrate mix. The assay for all protein kinases contained 70 mM HEPES-NaOH pH7.5, 3 mM MgCl2, 3 mM MnCl2, 3 &#956;M Na-orthovanadate, 1.2 mM DTT, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase, see Table 2A), [gamma-33P]-ATP (approx. 8 105 cpm per well), protein kinase (variable amount, see Table 2A), and substrate (variable amounts, see Table 2A).
11608	1	Enzymatic Assay	Detection of Myt1 kinase activity utilized a recombinant human Myt1 kinase assay measuring the hydrolysis of ATP using a commercially available ADP-Glo Assay (ADP-Glo Kinase Assay from Promega, 10 000 assays, #V9102). Briefly, 5 &#956;L recombinant human Myt1 (full length PKMYT1 recombinant human protein expressed in insect cells from Thermo Fisher #A33387; 80% purity) was prepared in reaction buffer (70 mM HEPES, 3 mM MgCl2, 3 mM MnCl2, 50 &#956;g/ml PEG 20000, 3 &#956;M Na-orthovanadate, 1.2 mM DTT) and added to 384 well white polystyrene, flat bottom well, non-treated, microplate (Corning #3572). After this, 5 &#956;L of compounds (diluted in reaction buffer to 0.5% DMSO) was added to the microplate and the plate was spun briefly and incubated at 22 C. for 15 minutes. Ultra-Pure Adenosine Triphosphate (ATP) solution (ADP-Glo kit from Promega) was diluted in reaction buffer and 5 &#956;L was added to the microplate, spun down briefly and incubated for 60 minutes at 30 C. The final Myt1 enzyme concentration was 18 nM and the final ATP concentration was 10 &#956;M. After the 60-minute incubation, 15 &#956;L of ADP-Glo reagent was added and the plate was spun briefly and sealed and incubated in the dark for 40 minutes at 22 C. Following this, 30 &#956;L of kinase detection reagent was added per well and the plate was spun briefly, sealed and incubated for 45-60 minutes at 22 C. in the dark. Luminescence was read using the Envision (250 ms integration). T
11609	1	Enzymatic Activity Assay	I. Test Materials and Instruments1. Human liver microsomes (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma SLBV3438), dextromethorphan (TRC 3-EDO-175-1) and midazolam (Cerilliant FE01161704)4. Positive inhibitors sulfaphenazole (D. Ehrenstorfer GmbH 109012), quinidine (TCI WEODL-RE) and ketoconazole (Sigma 100M1091V)5. AB Sciex Triple Quad 5500 liquid chromatography-mass spectrometryII. Test Steps: 1. Preparation of 100 mM phosphate buffered saline (PBS): 7.098 g of Na2HPO4 was weighed, 500 mL of pure water was added and subjected to ultrasonic dissolution to obtain solution A. 3.400 g of KH2PO4 was weighed, 250 mL of pure water was added and subjected to ultrasonic dissolution to obtain solution B. Solution A was placed on a stirrer and solution B was slowly added until pH reaches 7.4 to prepare 100 mM PBS buffer. 2. Preparation of 10 mM NADPH solution with 100 mM PBS buffer. 10 mM stock solution of compounds of the invention was diluted with DMSO to obtain a 200× concentration of compound working solution (6000, 2000, 600, 200, 60, 20, 0 µM). The stock solution of positive inhibitors was diluted with DMSO to obtain a 200× concentration of positive inhibitor working solution (sulfaphenazole, 1000, 300, 100, 30, 10, 3, 0 µM; quinidine/ketoconazole, 100, 30, 10, 3, 1, 0.3, 0 µM). A 200 × concentration of substrate working solution (120 µM of diclofenac, 400 µM of dextromethorphan, and 200 µM of midazolam) was prepared in water, acetonitrile, or acetonitrile/methanol. 3. 2 µl of 20 mg/ml liver microsome solution, 1 µl of substrate working solution, 1 µl of compound working solution and 176 µl of PBS buffer were taken, mixed uniformly, and pre-incubated in a 37° C. water bath for 15 minutes. To the positive control group was added 1 µl of diclofenac, dextromethorphan or midazolam working solution to replace the compound working solution. Simultaneously, 10 mM of NADPH solution was pre-incubated together in a 37° C. water bath for 15 minutes. After 15 minutes, 20 µl of NADPH was added to each well to initiate the reaction, and the reaction was incubated at 37° C. for 5 minutes (CYP2C9) or 20 minutes (CYP2D6). Double samples were set for all incubation samples. After incubation for corresponding time, the reaction was terminated by adding 400 ul of ice methanol containing an internal standard to all samples. The mixture was mixed uniformly by vortex and centrifuged at 3220 g at 4° C. for 40 minutes. After centrifugation, 100 µL of the supernatant was transferred to a loading plate, and 100 µL of ultrapure water was added and mixed uniformly for LC-MS/MS analysis.
11610	1	Enzymatic ATM Assay	The inhibitory activity on the isolated ATM kinase was determined by a commercial supplier (Reaction Biology Corp., PA, US) using an activity based FRET assay. Compounds were therefore first pre-incubated with human ATM before substrate (p53) and ATP were added to initiate the phosphorylation reaction. After a given time, the kinase reaction was stopped and the amount of phosphorylated substrate was quantified using standard FRET detection methods. Based on a 5-point dilution row starting at 10 &#956;M with a 10-fold dilution factor, the half-maximal inhibitory concentration (IC50 value) was calculated for each final compound. Detailed assay conditions and parameters can be requested from the commercial supplier.
11611	1	Determination of Allosteric Inhibition Activities of the Compounds of the Present Invention on SHP2	he experimental process was briefly described as follows: Test compounds were first dissolved in DMSO to prepare storage solutions. The reaction was carried out in a 384-well Small Volume HiBase microplate (Greiner, 784075). Firstly, SHP2 (signalchem, P38-20G-10ug) and SHP-2 Activating Peptide (IRS1_pY1172(dPEG8)pY1222) BPS, 79319-1) were added to the wells till the final concentrations were 0.5 nM and 0.5 uM, respectively. Then, the compounds to be tested were added in a concentration range of 0.00004-10 uM and incubated at 25 C. for 60 minutes. Then DiFMUP (Thermo, D6567) was added in the reaction and incubated at 25 C. for 30 minutes. After incubation, readings were taken using a microplate reader (BMG) with excitation and emission wavelengths of 340 nm and 450 nm, respectively. Compared with the fluorescence intensity ratio of a control group (0.1% DMSO), the percentage inhibition rates of the compounds at each concentration were calculated, and the IC50 values of the compounds were obtained by performing nonlinear regression analysis with logarithmic value of the compound concentration inhibition rate by GraphPad Prism 5 software.
11612	1	Biochemical (FP) Assay	Compounds were dissolved in DMSO an Echo550 liquid handler was utilized to make serial dilations in the desired concentration range in Optiplate-384F plates. 100% DMSO was used for the high (with protein) and low (without protein) control samples. 20 nL of compound or DMSO alone was added to individual assay plate wells. PARP1 and PARP2 protein were expressed, purified, and diluted in assay buffer containing 50 mM Tris pH 8.0, 0.0010% Triton X-100, 10 mM MgCI2, 150 mM NaCl to a final concentration of 20 nM. The PARPi-FL was then added at a final concentration of 3 nM. The assay plate is centrifuged at 1000 rpm for 1 min and incubated for 4 h at room temperature. The fluorescent polarization is read using an Envision plate reader using the following settings:Excitation filter&#151;FITC FP 480-Ex Slot 3Emission filter FITC FP P-pol 535-Em Slot 42nd Emission filter&#151;FITC FP S-pol 535-Em Slot3Mirror module&#151;FITC FP Dual Enh-Slot 1
11613	1	Kinase Inhibitory Activity Assay	Test method: Firstly, test compounds were prepared into 10 mM stock solution with DMSO, and continuously diluted into 10 concentrations at a 3-fold gradient for later use. 5X reaction buffer was diluted with deionized water into 1×reaction buffer (50 mM HEPES pH 7.5, 0.01% Brij-35, 10 mM MgCl2, 1 mM EGTA), which was used to prepare a mixture of kinase and peptide substrate, as well as a phosphorylated peptide substrate solution. The kinase concentration was determined based on enzyme titration, and the final concentration of peptide substrate and phosphorylated peptide substrate was 2 &#956;M. 5 &#956;L of mixture substrate of kinase and peptide substrate was added to each well on the 384 well plate. Then 5 nL of the test compound (starting with a final concentration of 10 &#956;M) was added with an Echo520 Sampler. After shaking and mixing at room temperature for 15 minutes, added an appropriate amount of ATP to the well to meet the test requirements (note: according to the concentration recommended in manufacturer&#39;s instructions, the ATP concentration for JAK1 kinase test is 75 &#956;M, 25 &#956;M for JAK2 kinase test, M for JAK3 kinase test, and 25 &#956;M for TYK2 kinase test). An additional 100% phosphorylation well (5 &#956;L phosphorylated peptide substrate solution), a 0% phosphorylated well (5 &#956;L of a mixture of kinase and peptide substrate, without test compounds and ATP), and a 0% inhibitory well (5 &#956;L of a mixture of kinase and peptide substrate and appropriate concentration of ATP) were set as control. Two repeats were set for each concentration. 
11613	2	Kinase Inhibitory Activity Assay (ATP 1mM)	Test method: Firstly, test compounds were prepared into 10 mM stock solution with DMSO, and continuously diluted into 10 concentrations at a 3-fold gradient for later use. 5X reaction buffer was diluted with deionized water into 1×reaction buffer (50 mM HEPES pH 7.5, 0.01% Brij-35, 10 mM MgCl2, 1 mM EGTA), which was used to prepare a mixture of kinase and peptide substrate, as well as a phosphorylated peptide substrate solution. The kinase concentration was determined based on enzyme titration, and the final concentration of peptide substrate and phosphorylated peptide substrate was 2 &#956;M. 5 &#956;L of mixture substrate of kinase and peptide substrate was added to each well on the 384 well plate. Then 5 nL of the test compound (starting with a final concentration of 10 &#956;M) was added with an Echo520 Sampler. After shaking and mixing at room temperature for 15 minutes, added an appropriate amount of ATP to the well to meet the test requirements (note: according to the concentration recommended in manufacturer&#39;s instructions, the ATP concentration for JAK1 kinase test is 75 &#956;M, 25 &#956;M for JAK2 kinase test, M for JAK3 kinase test, and 25 &#956;M for TYK2 kinase test). An additional 100% phosphorylation well (5 &#956;L phosphorylated peptide substrate solution), a 0% phosphorylated well (5 &#956;L of a mixture of kinase and peptide substrate, without test compounds and ATP), and a 0% inhibitory well (5 &#956;L of a mixture of kinase and peptide substrate and appropriate concentration of 1mM ATP) were set as control. Two repeats were set for each concentration. 
11614	1	Inhibitory Activity on KRAS G12D Nucleotide (GDP-GTP) Exchange Reaction	For the measurement of the inhibitory activity of compounds on GDP-GTP exchange rate of recombinant KRAS G12D, BODIPY FL GDP-bound KRAS G12D protein was incubated with various concentrations of compound in a reaction buffer (20 mM Tris-HCl (pH 7.5), 100 mM NaCl, 1 mM MgCl2, 2 mM DTT, 0.1% Tween 20) at 25° C. for 1 hour. After the incubation, recombinant SOS1 and GMPPNP (guanosine-5&#8242;-[((&#946;, &#947;)-imido]triphosphate, tetralithium salt) (Jena Bioscience GmbH, Jena, Germany) were added and incubated at room temperature for 30 minutes to proceed SOS1-dependent GDP-GTP exchange reaction on KRAS G12D. Replacement of BODIPY FL GDP by GMPPNP was measured by calculating the ratio of fluorescence intensities of BODIPY FL before and after the exchange reaction.
11615	1	Inhibition of LOX and LOXL1-4	The assay was developed using either 384 or 96 well format. Briefly, in a standard 384 well plate assay 25 &#956;L of a dilution of any of the isoenzymes and orthologues in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were added into each well in the presence of 1 &#956;M mofegiline and 0.5 mM pargyline (to inhibit SSAO and MAO-B and MAO-A, respectively). Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 11 data points, typically in the micromolar or nanomolar range after incubation with the enzyme for 30 min at 37° C. 25 &#956;L of a reaction mixture containing twice the KM concentration of putrescine (Sigma Aldrich, e.g. 20 mM for LOX, or 10 mM for LOXL2 and LOXL3), 120 &#956;M Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were then added to the corresponding wells. The above volumes were doubled in the case of 96 well plates. The fluorescence (RFU) was read every 2.5 m n for 30 m u at a range of temperatures from 37° C. to 45° C., excitation 565 nm and emission 590 nm (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
664	1	Biological and Stability Data	In vitro assays were conducted with Compounds 1-9 and the commercially available TLR4 agonist MPL. For measurement of biological activity various cells were stimulated with a wide dose range of each compound followed by assessment of either transcriptional activation (HEK hTLR4 NF-&#954;B-SEAP cells) or cytokine production (hMM6 or hPBMCs). Dose-response curves for each compound were started at either 100 &#956;M or 20 &#956;M followed by 5-fold serial dilutions in vehicle (2% glycerin or glycine, IN ) with final concentrations being 1.6 10&#8722;8 &#956;M (1.6 fM) or 3.3 10&#8722;8 &#956;M (3.3 fM). After incubation for 18-24 h with the dose range of compounds cellular supernatants were harvested for analysis.hTLR4 activation. HEK hTLR4-expressing cells were treated with 100 &#956;M concentration of test compound followed by a 5-fold dilution series. HEK hTLR4-expressing cells also contained an NF-&#954;B driven SEAP reporter and were stimulated with the indicated concentration (FIG. 1A-1C) of the test compound for 18 hours followed by assessment of the cellular supernatant for SEAP by a Quantikine SEAP assay (InvivoGen). The SEAP assay was used to look at secretion of the NF-&#954;B driven alkaline-phosphatase reporter gene in response to TLR4 activation by the compounds and results are interpreted both in terms of potency of the compounds to induce SEAP activation (i.e. potency where a lower EC50 indicates higher potency) and efficacy for receptor activation (i.e. maximal SEAP induction). EC50 values for each compound in HEK hTLR4 cells are shown in Tables 1a and 1b. EC50 values were determined by fitting dose response curves to a non-linear 4-parameter equation.
1306	1	TYK2 (TYK2/JAK2 PSTAT4 T-BLAST) Alpha Screen Assay	IL-12 is known to transduce its signal through IL-12 receptor via Jak2 and/or Tyk2. For that reason, the activity against Tyk2/Jak2 was measured by determining the inhibition of IL-12 induced phosphorylation of STAT4 in T-blast cells. From these tests, the EC50 (effective concentration for 50% maximal response) values were determined in &#956;M for the test compounds. If the compounds showed minimal activity in the Jak2 (PTAT5 UT7) alpha screen assay (e.g., >25 &#956;M activity), then it was stipulated that the activity from the Tyk2 (Tyk2/Jak2 T-Blast) alpha screen assay is driven by inhibition of Tyk2. See, e.g., Sohn et al., J. Immunology (2013) 2205-2216.
1306	2	JAK1 (PSTAT3 TF1) Alpha Screen Assay	IL-6 is known to transduce its signal through IL-6 receptor via Jak1. Activity against Jak was therefore measured by determining inhibition of IL-6 induced phosphorylation of STAT3 in TF1 cells. From these tests, the EC50 (effective concentration for 50% maximal response) values were determined in 1 &#956;M for the test compounds.
1306	3	JAK2 (PSTAT5 UT7) Alpha Screen Assay	Erythropoietin (EPO) is known to transduce its signal through EPO receptor via Jak2. Activity against Jak2 was therefore measured by determining inhibition of EPO induced phosphorylation of STATS in UT7 cells. From these tests, the EC50 (effective concentration for 50% maximal response) values were determined in 1 &#956;M for the test compounds.
6468	1	ENPP1 Enzyme Assay with eGAMP Substrate	ENPP1 hydrolyzes nucleotides or nucleotide derivatives to produce nucleoside -5&#8242;-monophosphate and pyrophosphate. in addition, ENPP1 hydrolyzes 2&#8242;,3&#8242;-cGAMP to produce 5&#8242;-adenosine monophosphate (AMP) and 5&#8242;-guanosine monophosphate (GMP). AMP produced from the reaction is measured using the AMP-Glo kit (Promega). The AMP-Glo kit contains two reagents. The first reagent terminates the AMP-producing enzymatic reaction, removes ATP and converts the produced AMP into ADP. The second reagent converts ADP to ATP which is used to generate luminescence in the luciferase reaction. The amount of luminescence measured is proportional to the amount of AMP produced by ENPP1.[1071]The final reaction mixture contains 50 mM Tris (pH 8.5) buffer, 250 mM NaCl, 0.5 mM. CaCl2, 1 &#956;M ZnCl2, 5% glycerol and 1% DMSO. Serially diluted ENPP1 inhibitors (typically in the range of 10 &#956;M to 0.5 nM) were pre-stored with human recombinant ENPP1 enzymes (R & D systems) at 3 ng/reaction and room temperature (RT) for 5 to 10 minutes. The reaction was initiated by addition of cGAMP (at a final concentration of 5 &#956;M) and reacted at 37 C. for 90 minutes. At the end of the reaction, 10 &#956;l of the AMP-Glo first reagent was added to stop the reaction and the result was stored at room temperature for hour. After storage, 20 &#956;l of an AMP detection solution (a mixture of AMP-Glo II reagent and Kinase-Gio at a ratio of 1:100) was added and stored at room. temperature for 1 hour. Luminescence signals were measured using a Victor plate reader (Perkin Elmer). The maximal activity control (containing enzymes and substrates only in the presence of 1% DMSO; MAX) and the minimal activity control (containing substrates and 1% DMSO; MIN) were evaluated simultaneously. In each experiment, serially diluted reference ENPP1 inhibitors were tested together. IC50, indicating % residual activity versus compound concentration was determined by fitting inhibition curves using the 3-parameter analysis of GraphPad Prism software. Serially diluted samples of one compound were tested two or more times and an average IC50 of each compound was calculated.
7601	1	Human Adenosine A2A Receptor Binding Assay	Test compound is weighed, dissolved in DMSO to make a stock solution of 10 mM, diluted with DMSO to prepare working solutions, then 100-fold diluted to the indicated concentrations. Human recombinant adenosine A2A receptors expressed in HEK-293 cells were used to prepare membranes in incubation buffer (50 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM EDTA, 2 U/ml Adenosine Deaminase). Test compound or vehicle (2.2 &#956;L) was added in 200 &#956;L of membranes and incubated with 20 &#956;L of 50 nM [3H] CGS-21680 for 90 minutes at 25 C. Non-specific binding was estimated in the presence of 50 &#956;M NECA (5&#8242;-N-ethylcarboxamidoadenosine). The incubation was stopped by vacuum filtration onto 0.3% PEI (polyethylenimine) presoaked GF/B filters using a harvester followed by four washes with ice-cold 50 mM Tris-HCl, pH 7.4, and the radioactivity on GF/B filtermats counted in a scintillation counter (PerkinElmer TOPCOUNT ) to determine [3H] CGS-21680 specifically bound. Final concentration of vehicle DMSO is 1%.Data is fitted using the non-linear curve fitting routines in Meth-IQ software (ID Business Solutions Ltd., UK). IC50 is converted to Ki by Cheng-Prusoff equation: Ki=IC50/(1+[L]/KD) where [L] is concentration of radiolabeled ligand used in the assay.
7601	2	Human Adenosine A1 Receptor Binding Assay	Test compound is weighed, dissolved in DMSO to make a stock solution of 10 mM, diluted with DMSO to prepare working solutions, then 100-fold diluted to the indicated concentrations. Human recombinant adenosine A1 receptors expressed in CHO-K1 cells were used to prepare membranes in incubation buffer (20 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) pH 7.4, 10 mM MgCl2, 100 mM NaCl). Test compound or vehicle (2.2 &#956;L) was added in 200 &#956;L of membranes and incubated with 20 &#956;L of 1 nM [3H] DPCPX (8-cyclopentyl-1,3-dipropylxanthine) for 90 minutes at 25 C. Non-specific binding was estimated in the presence of 100 &#956;M R(&#8722;)-PIA ((R) N-(1-methyl-2-phenylethyl)adenosine). The incubation was stopped by vacuum filtration onto 0.3% PEI (polyethylenimine) presoaked GF/B filters using a harvester followed by four washes with ice-cold 50 mM Tris-HCl, pH 7.4, and the radioactivity on GF/B filtermats counted in a scintillation counter (PerkinElmer Topcount ) to determine [3H] DPCPX specifically bound. Final concentration of vehicle DMSO is 1%.
11616	1	Inhibition of the Kinesin Spindle Protein KSP/Eg5	The motor domain of the human kinesin spindle protein KSP/Eg5 (from tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) is incubated at a concentration of 10 nM with 50 &#956;g/ml taxol- (from Sigma No. T7191-5MG) stabilized microtubuli (bovine or porcine, from tebu-bio/Cytoskeleton Inc) for 5 min at RT in 15 mM PIPES, pH 6.8 (5 mM MgCl2 and 10 mM DTT, from Sigma). The freshly prepared mixture was aliquoted into a 384-well MTP. The inhibitors to be examined at concentrations of 1.0×10&#8722;6 M to 1.0×10&#8722;13 M and ATP (final concentration 500 &#956;M, from Sigma) were then added. Incubation was carried out at RT for 2 h. ATPase activity was detected by detecting the inorganic phosphate formed using malachite green (from Biomol). After addition of the reagent, the assay was incubated at RT for 50 minutes prior to detection of the absorption at a wavelength of 620 nm. Monastrol (Fa. Sigma, M8515-1 mg) and Ispinesib (from Adooq A10486) were used as positive control. The individual data of the dose-activity curve are octuple determinations. The IC50 values are means of three independent experiments. The 100% control was the sample which had not been treated with inhibitors.
11617	1	Biochemical Assay	Increasing concentrations of compounds were added to pre-mixed biotinylated DCAF15 at 200 nM, Bodipy-FL-labelled RRM2 domain in RBM39 at 200 nM, and terbium (Tb)-coupled streptavidin at 2 nM (Invitrogen) in 384-well microplates in a buffer containing 50 mM Tris pH 7.5, 100 mM NaCl, 0.1% pluronic acid and 2% DMSO. Before TR-FRET measurements were conducted, the reactions were incubated for 15 min at room temperature. After excitation of terbium (Tb) fluorescence at 337 nm, emission at 490 nm (Tb) and 520 nm (Bodipy-FL) were recorded with a 70 &#956;s delay to reduce background fluorescence and the reaction was followed over 1 h by recording 60 technical replicates of each data point using a PHERAstar FS microplate reader (BMG Labtech). The TR-FRET signal of each data point was extracted by calculating the 520/490 nm ratio. Data were analyzed with GraphPad Prism 7.
11618	1	[35S]GTP&#947;S Binding	The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV -3 expression vector (Sigma, Saint Louis, Mo. USA) in-house at Amgen. A GTP&#947;S binding assay was performed on membranes prepared from CHO cells stably expressing human APJ receptor. The optimum experimental conditions for the concentrations of GDP, MgCl2, and NaCl in the assay buffer were initially determined. The assay was performed in 9 &#956;L assay buffer [20 mM HEPES, pH 7.5, 5 mM MgCl2, 100 mM NaCl and 0.1% (w/v) BSA], 1 &#956;L of diluted test compound (starting with 0.75 mM, 2-fold serial dilution with DMSO, total 22 points), 10 &#956;L of 18 &#956;M GDP (final concentration of 3 &#956;M GDP), 20 &#956;L of 0.25 &#956;g/m L membrane protein expressing human APJ receptor captured with WGA PS beads (final concentration of 5 &#956;g per well), and 20 &#956;L of 0.3 nM [35S]GTP&#947;S (final concentration is 0.1 nM [35S]GTP&#947;S)(Perkin Elmer Life and Analytical Sciences, Waltham USA). One column of the plate was 1 &#956;L of DMSO as background and another column of the plate was 1 &#956;L of 180 &#956;M Pyr-Apelin-13 which was used as control at a final concentration of 3 &#956;M. Incubation was at RT for 90 min and the microplate was read using a ViewLux ultra HTS Microplate Imager (PerkinElmer, Inc.). All the results presented are means of several independent experiments and analyzed by non-linear regression methods using the commercially available program Prism (GraphPad, San Diego, Calif.) providing the EC50 values detailed in Table 3.
11619	1	In Vitro DPP1 Enzyme Activity Assay	Recombinant human DPP1 enzyme (R&D Systems, Cat. No. 1071-CY) at a final concentration of 100 &#956;g/mL was mixed with recombinant human cathepsin L (R&D Systems, Cat. No. 952-CY) at a final concentration of 20 &#956;g/mL were mixed and incubated at room temperature for 1 hour to activate the DPP1 enzyme. The activated DPP1 enzyme was diluted 100-fold, and 5 &#956;L of compounds at different concentrations and 5 &#956;L of the diluted DPP1 enzyme were added to a 384-well plate and incubated at room temperature for 30 minutes. After 10 &#956;L of the substrate Gly-Arg-AMC (bachem, Cat. No. I-1215) at a concentration of 20 &#956;M was added, incubation was continued at room temperature for 60 minutes, and the fluorescence intensity was detected with a microplate reader (excitation=380 nm and emission=460 nm). IC50 values were calculated using the DosResp function of the Origin2019 software.
11620	1	Fluorescence Polarization (FP) Homogeneous Assay	Full-length USP19 was purchased from Boston Biochem (E-576). Unless otherwise stated, all other reagents were purchased from Sigma. Enzymatic reactions were conducted in black flat bottom polystyrene 384-well plates (Nunc) and 30 &#956;L total volume. USP19 (2.5 nM, 10 &#956;L) was incubated in assay buffer (50 mM HEPES (pH 7.4), 150 mM NaCl, 5 mM DTT, 0.05% BSA (w/v), 0.05% CHAPS) in the presence or absence of inhibitor (10 &#956;L). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System and serial dilutions were prepared in buffer just prior to the assay (from 200 &#956;M to 2 pM, 8-18 data point curve). Following incubation at rt for 30 min, the enzymatic reactions were initiated by dispensing the Ub substrate (500 nM, 10 &#956;L). FP was measured every 15 min over a period of 90 min (within the linear range of the assay) using a Synergy 4 plate reader (BioTek) exciting at 530 nm and measuring the amount of parallel and perpendicular light at 575 nm. The FP signal was subsequently normalized to the no compound control. Data were plotted and fitted, and the concentrations resulting in 50% inhibition (IC50) were calculated using the non-linear regression curve fitting model using GraphPad (Prism). 
11621	1	Detection of Phosphorylated ERBB2 (pERBB2)	Enzyme-linked immunosorbent assays (ELISA) were performed to measure phosphorylated ERBB2 levels. A capture antibody able to detect phosphorylated and non-phosphorylated ERBB2 (R&D Systems, cat #841425) was added to ELISA plates and incubated at 4° C. overnight. The next day, plates were washed with PBS+0.05% Tween20 (PBST). 150 &#956;l of 5% BSA blocking solution was added for 1 hour at room temperature, with shaking. Plates were washed with PB ST. Cell lysates were thawed and 100 &#956;l of lysate was added to the ELISA plate. The plates were incubated for 2 hours at room temperature, with shaking. ELISA plates were then washed with PBST and 100 &#956;l of an HRP-labeled detection antibody that binds phosphorylated tyrosine (R&D Systems, cat #841913) was added to each well. Plates were incubated for 1 hour at room temperature, with shaking. Plates were then washed with PBST, and 100 &#956;l TMB substrate solution (R&D Systems, cat #DY999) was added. Plate were incubated in the dark for 20 minutes at room temperature. 50 &#956;l of Stop solution (R&D Systems, cat #DY994) (50 &#956;l) was added to each well and mixed.
11621	2	Enzyme-linked immunosorbent assays (ELISA) 	Enzyme-linked immunosorbent assays (ELISA) were performed to measure phosphorylated EGFR levels using A431 cells (10% FBS). A431 (1.0*104 cells/40 &#956;l/well) cells were seeded in 384 well. Compounds were dissolved in DMSO, serially diluted in DMSO and then were added, mixed, and incubated for 4 hours at 37° C., 5% CO2. Following the 4-hours incubation, cells were stimulated for 10 minutes with EGF (Invitrogen, cat #PHG0311) at a final concentration of 30 ng/mL in the incubator. The media was aspirated and cells were lysed in 10 lysis buffer with protease and phosphatase inhibitors (PerkinElmer, cat #ALSU-PEGFR-A50K). The plates were placed on a shaker for 5 minutes and then incubated for 30 min at 4° C. for complete lysis. The lysate was transferred to an Optiplate (Perkin Elmer, cat #6007290).Acceptor mix (PerkinElmer, cat #ALSU-PEGFR-A50K) was prepared just before use and 5 &#956;L was dispensed to all the wells, followed by a 1.5-2 h incubation at room temperature in dark. The donor mix (PerkinElmer, cat #ALSU-PEGFR-A50K) was prepared under low light conditions prior to use and 511.1 of donor mix was added to all the wells under subdued lighting or green filters. The plates were placed on a shaker for 5 min, sealed, and incubated overnight at room temperature in dark. Plates were read on the Envision (PerkinElmer) using standard AlphaLISA settings.
11622	1	Inhibition of Gelatinase E Assay	Gelatinase E (Gel E) was purified from bacterial culture supernatant from E. faecalis. E. faecalis was cultured aerobically in Todd Hewitt Broth overnight at 37 C. Nucleic acid was precipitated with 0.9% protamine solution, followed by protein precipitation with ammonium sulfate. Resuspended protein pellet was further subjected to purification using FPLC (phenyl Sepharose column). Fractions with gelatinase activity as determined by casein agar assay were pooled and further concentrated. Different concentrations of test compound were incubated with purified GelE and FRET-based peptide substrate (390 MMP FRET Substrate 1; Anaspec AS-27077) in assay buffer at room temperature for 30 minutes. The fluorescence signal was determined by a plate reader.Various compounds in Table 10 inhibited GelE with an IC50 of greater than 200 &#956;M. Compound 62 showed high levels of inhibition, with an IC50 of about 16.42 &#956;M. Compound A also showed high levels of GelE inhibition.
11622	2	Inhibition of Collagenase H Assay	Collagenase H Assay as a Surrogate for ColA Inhibition. Different concentrations of test compound were incubated with Clostridium histolyticum collagenase H (ColH) and fluorescein-labeled DQ-gelatin conjugate (both are components of EnzCheck Gelatinase/Collagenase Assay Kit, ThermoFisher E12055) at 37° C. for 2 hours. ColH has similar activity to ColA. The fluorescence signal was determined by a plate reader and level of inhibition calculated.
11623	1	PD-1/PD-L1 Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	Assays were performed in standard black 384-well polystyrene plates and a final volume was 20 L. The inhibitor was first serially diluted with DMSO and added to the wells of the plate, then other reaction components were added. The final concentration of DMSO in the assay was 1%. Assays were performed at 25 C. in PBS buffer (pH 7.4) containing 0.05% Tween-20 and 0.1% BSA. Recombinant human PD-L1 protein (19-238) with a His-tagged at the C-terminus was purchased from AcroBiosystems (PD1-H5229). Recombinant human PD-1 protein (25-167) with an Fc tag at the C-terminus was also purchased from AcroBiosystems (PD1-H5257). The PD-L1 and PD-1 proteins were diluted in assay buffer and then 0.1 l of the solution was extracted and added to the wells of the plate. Plates were centrifuged and proteins and inhibitors were preincubated for 40 minutes. After incubation, 0.1 l of HTRF detection buffer containing europium blocking labeled anti-human IgG (PerkinElmer-AD0212), Fc-specific and anti-His SureLight -Allophycocyanin (APC, PerkinElmer-AD0059H) conjugated antibodies was added. After centrifugation, the plates were incubated at 25 C. for 60 minutes. Data was read in a PHERAstar FS plate reader (665 nm/620 nm ratio). Final concentrations in the assay were ~3 nM of PD1, 10 nM of PD-L1, 1 nM of europium anti-human IgG, and 20 nM of anti-His-allophycocyanin.
11624	1	Biochemical Assay: hK-RasG12C Interaction Assay with hSOS1	The assay buffer containes 5 mM HEPES pH 7.4 (Applichem), 150 mM NaCl (Sigma), 10 mM EDTA (Promega), 1 mM DTT (Thermofisher), 0.05% BSA Fraction V, pH 7.0, (ICN Biomedicals), 0.0025% (v/v) Igepal (Sigma) and 100 mM KF (FLUKA). The expression and purification of N-terminal GST-tagged K-RasG12C and N-terminal His-tagged SOS1 is described below. Concentrations of protein batches used are optimized to be within the linear range of the HTRF signal. A Ras working solution is prepared in assay buffer containing typically 10 nM GST-hK-RasG12C and 2 nM antiGST-Eu(K) (Cisbio, France). A SOS1 working solution is prepared in assay buffer containing typically 20 nM His-hSOS1 and 10 nM anti-6His-XL665 (Cisbio, France). An inhibitor control solution is prepared in assay buffer containing 10 nM anti-6His-XL665 without SOS1. Fifty nl of a 100-fold concentrated solution of the test compound in DMSO are transferred into a black microtiter test plate (384 or 1536, Greiner Bio-One, Germany). For this, either a Hummingbird liquid handler (Digilab, MA, USA) or an Echo acoustic system (Labcyte, CA, USA) is used. All steps of the assay are performed at 20° C. A volume of 2.5 &#956;l of the Ras working solution is added to all wells of the test plate using a Multidrop dispenser (Thermo Labsystems). After 2 min preincubation, 2.5 &#956;l of the SOS1 working solution are added to all wells except for those wells at the side of the test plate that are subsequently filled with 2.5 &#956;l of the inhibitor control solution. After 60 min incubation the fluorescence is measured with a Pherastar (BMG, Germany) using the HTRF module (excitation 337 nm, emission 1: 620 nm, emission 2: 665 nm).
11625	1	In Vitro Enzymatic Inhibitory Activity	Reagents:Basic reaction buffer: 20 mM hydroxyethylpiperazine ethane sulfonic acid (pH 7.5), 10 mM magnesium chloride, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL bovine serum albumin, 0.1 mMNa3VO4, 2 mM DTT, 1% DMSONecessary cofactors were separately added to the CSF-1R kinase reaction.Enzyme: CSF-1R, 2.5 nMTreatment:The test compounds were prepared into solutions of specified concentrations in 100% DMSO, and the solutions were serially diluted in DMSO using the Integra Viaflo Assist.Procedures:1. A fresh medium preparation reaction buffer was prepared;2. All necessary cofactors were added to the reaction buffer described above;3. The kinase was added into the medium solution and the mixture was shaked gently;4. Solutions of the compounds in DMSO were added to the kinase reaction mixture using an acoustic technique (Echo550; in nanoliter range), and the system was incubated at room temperature for 20 min;5. 33P-ATP (specific activity: 10 &#956;Ci/&#956;L) was added to the reaction mixture to initiate the reaction;6. The mixture was incubated for 2 h at room temperature;7. The kinase activity was detected by a filter-binding method;8. The kinase activity IC50 values and the curves were obtained by comparison with the other kinases and the vehicle (DMSO) group using Prism (GraphPad software).
11626	1	BTK Enzyme Activity Assay	The specific assay process of BTK enzyme activity assay is as follows: Buffer: 20 mM 2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanesulfonic acid (Hepes) (pH 7.5), 10 mM magnesium chloride, 1 mM ethylenebis(oxyethylenenitrilo)tetraacetic acid (EGTA), 0.02% polyoxyethylene dodecyl ether (Brij35), 0.02 mg/mL BSA, 0.1 mM sodium vanadate (Na3VO4), 2 mM dithiothreitol (DTT), 1% DMSO, 200 &#956;M adenosine triphosphate (ATP).1. The substrate was prepared in freshly prepared reaction buffer;2. The required cofactor was added to the above-mentioned substrate solution;3. The kinase BTKC481S was added to the above-mentioned substrate solution and mixed well;4. The compound dissolved in DMSO was added to the kinase reaction mixture by Echo550 (Acoustic technology; nanoliter range), and the mixture was incubated at room temperature for 20 minutes;5. 33P-ATP (specific radioactivity of 10 &#956;Ci/&#956;L) was added to the reaction mixture to initiate the reaction;6. The mixture was incubated at room temperature for 2 hours;7. The radioactivity was detected by filter-binding method;8. Kinase activity data represented the percentage of remaining kinase activity in the assay sample compared to the vehicle (dimethyl sulfoxide) reaction. IC50 values and fitted curve were obtained using Prism (GraphPad software).
11627	1	WT STING Binding Assay	An assay format was optimized to demonstrate binding of recombinant 6×His-tagged human STING protein labeled with Terbium Cryptate by the natural ligand, 2&#8242;3&#8242;cGAMP labeled with d2 (the acceptor). Upon proximity of the two dyes, the excitation of the donor by the flash lamp on the PHERAstar FSX plate reader triggers a Fluorescence Resonance Energy Transfer (FRET) towards the acceptor, which in turn fluoresces at 665 nm. To assess the ability of the synthetic small molecule STING ligands to bind to human STING, a competitive assay format was applied. A 10-point titration of each of the synthetic ligands in 5 uL were transferred into a 384 well plate, followed by 20 uL of assay buffer containing the 6×His-tagged human STING protein and labeled 2&#8242;3&#8242;cGAMP ligand and incubated for three hours at room temperature. The raw values obtained from the PHERAstar were used to calculate the reported IC50 values (the signal is inversely proportional to the binding of the synthetic ligand) through curve fitting in Genedata. The percent inhibition was calculated based upon the maximal amount of binding by synthetic compound versus the maximum binding of unlabeled 2&#8242;3&#8242; cGAMP which was used as a control in each assay.
11628	1	LRRK2 Kinase Activity Assay	LRRK2 Kinase reactions were carried out in 384-well white polystyrene plates in a final volume of 6 &#956;l using ADP-Glo Kinase Assay kit (Promega Corp.). Compound and substrates (LRRKtide peptide and ATP) in assay buffer were first dispensed in wells. Kinase reaction was then started by the addition of human recombinant LRRK2 protein. After 1h-incubation at 37 C., the enzymatic reaction was stopped by the addition of 6 &#956;l of ADP-Glo Reagent-1 and an additional 40-minutes incubation at 23 C. (residual ATP depletion). A final 30-minutes incubation after 12 &#956;L reagent-2 addition (ADP to ATP conversion and luciferin/luciferase reaction) was performed before luminescent signal acquisition (EnVision multimode plate reader-PerkinElmer, Inc.). Data from 10 individual concentrations of tested compounds (N=2) were fitted (XLfit -ID Business Solutions Ltd) to deliver IC50s (compound concentration leading to 50% inhibition of reference enzymatic activity).
11629	1	Measurement of Human IRAK-4 Inhibitory Activity	For the measurement of the activity of the human IRAK-4 (Invitrogen, Cat. PV3362), phosphorylation of the IRAK-4 peptide substrate (biotin-KKKKRFSFKKSFKC) by the enzyme in the presence of 10 µM ATP (Sigma-Aldrich, Cat. A7699) was measured by the TR-FRET method. The enzymatic reaction was performed in a reaction buffer containing 50 mM HEPES (pH 7.2), 1 mM DTT, 0.1 mM Na3VO4, 5 mM MgCl2, 1 mM MnCl2, and 0.1% bovine serum albumin. For the measurement of the IRAK-4 inhibitory activity, a test compound was added to the reaction buffer containing 1 nM IRAK-4, 0.5 µM peptide substrate, and 10 µM ATP, and the mixture was incubated at 23° C. for 30 minutes. Then, a detection solution containing an antibody labeled with europium cryptate (0.3 µg/mL, the antibody was prepared by using the IRAK-4 peptide substrate as the antigen), streptavidin-XL665 (2 µg/mL, CisBio, Cat. 610SAXLB), 50 mM HEPES (pH 7.2), 0.1% BSA, 120 mM KF, and 66.7 mM EDTA (all the concentrations of the reagents are final concentrations) was added to terminate the reaction, and then the mixture was further incubated at 23° C. for 60 minutes. Fluorescence intensity was measured at wavelengths of 665 nm and 620 nm with a microplate reader, and the enzymatic activity was calculated as the ratio of fluorescence intensities at 665 nm and 620 nm (665 nm/620 nm). The IRAK-4 suppression ratio observed with addition of 12.5 µM staurosporine (LC Laboratories, Cat. S-9300) was defined to be 100%, the IRAK-4 suppression ratio observed with no addition of test compound was defined to be 0%, and IC50 of the test compound was calculated by using the 4-parameter logistic model of the data analysis software XLfit (ID Business Solutions Ltd.).
11630	1	Kinetic Biochemical Assay	Compounds that inhibit the hGYS1 enzyme and, subsequently, the downstream conversion of NADH to NAD+, were tested using assay ready plates (black, clear bottom 384 well plates) in a final DMSO reaction volume of 2.5% DMSO. The Assay Buffer contained 50 mM Tris pH 7.5, 2 mM MgCl2, and 100 mM KCl. Fresh stocks of BSA at a final concentration of 0.02% and TCEP at 1 mM were added before splitting buffer into hGYS1 buffer and substrate buffer. To the hGYS1 buffer, rabbit liver glycogen was added at a final concentration of 0.2% glycogen. Glucose-6-Phosphate was added at 1 mM, recombinant hGYS1/GN1 protein was added at 50 nM to the substrate buffer, phosphoenolpyruvate (PEP) was added at 2 mM, UDP-Glucose was added at 0.8 mM, NADH) was added at 0.6 mM, and Pyruvate Kinase/Lactate Dehydrogenase was added at 20 units/mL. The reaction was initiated by mixing hGYS1 buffer and substrate buffer at a 1:1 ratio. Both buffers were plated using a liquid dispensing device with hGYS1 buffer plated first followed by the substrate buffer. Plates were spun briefly to eliminate air bubbles and are immediately read in continuous mode at an absorbance of 340 nm, for 10 time points in one-minute increments, for a total of 10 minutes. The slope from these 10 time points was normalized to the positive and negative control wells. The duplicate % inhibition values are then averaged and fit to a Hill equation for dose response according to the Levenberg-Marquardt algorithm with the Hill equation maximum set to 100 and the minimum set to 0.
11630	2	The GYS2 coupled enzyme assay	Compounds that inhibit the hGYS2 enzyme and, subsequently, the downstream conversion of NADH to NAD+, were tested using assay ready plates (black, clear bottom 384 well plates) in a final DMSO reaction volume of 2.5% DMSO. The Assay Buffer contained 50 mM Tris pH 7.5, 2 mM MgCl2, and 100 mM KCl. Fresh stocks of BSA at a final concentration of 0.02% and TCEP 1 mM were added before splitting buffer into hGYS2 buffer and substrate buffer. To the hGYS2 buffer, rabbit liver glycogen was added at a final concentration of 0.2% glycogen. Glucose-6-Phosphate was added at 2 mM, recombinant hGYS2/GN1 protein was added at 200 nM to the substrate buffer, phosphoenolpyruvate (PEP) was added at 2 mM, UDP-Glucose was added at 2 mM, NADH was added at 0.6 mM, and Pyruvate Kinase/Lactate Dehydrogenase was added at 20 units/mL. The reaction was initiated by mixing hGYS2 buffer and substrate buffer at a 1:1 ratio. Both buffers were plated using a liquid dispensing device with hGYS2 buffer plated first followed by the substrate buffer. Plates were spun briefly to eliminate air bubbles and are immediately read in continuous mode at an absorbance of 340 nm, for 10 time points in one-minute increments, for a total of 10 minutes. The slope from these 10 time points was normalized to the positive and negative control wells. The duplicate % inhibition values are then averaged and fit to a Hill equation for dose response according to the Levenberg-Marquardt algorithm with the Hill equation maximum set to 100 and the minimum set to 0.The results are shown in Table 4 below
11631	1	Enzymatic BRAF Kinase Activity Assay	Small molecule inhibition of the BRAF kinases was measured using ADP-Glo assay. In the assay, ADP is converted to ATP in the presence of test kinase and substrate, resulting in luciferase reaction and luminescent readout with light generated proportional to the relative kinase activity. Compounds diluted in DMSO were used in 10-point, 3-fold dose curve for both assays. Final concentrations of 6 nM BRAF (CarnaBio, Cat. 09-122) or 3 nM RAF1 (CarnaBio, Cat. 09-125) and 30 nM MEK1 substrate (Millipore, Cat. 14-420) were incubated with 3 M ATP, 10 mM MgCl2, 0.003% Brij-35, 2 mM DTT, 0.05% BSA, 1 mM EGTA, and 50 mM HEPES for 90 minutes at room temp prior to addition of ADP-Glo reagent (Promega, Cat. V9102) for 40 minutes, and detection reagent for 45 minutes. Luminescence was read on an Envision plate reader (PerkinElmer) and percent remaining activity was used to calculate IC50 using a four-parameter fit model using Dotmatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23).
11632	1	Ubiquitin-Rhodamine 110 Assay for USP30 Activity	The assay was performed in a final volume of 9 &#956;L in assay buffer containing 20 mM Tris-HCl (pH 8.0, (IM Tris-HCl, pH 8.0 solution; Corning 46-031-CM)), 1 mM GSH (L-glutathione reduced, Sigma-Aldrich, G4251-100G), 0.03% BGG (0.22 &#956;M filtered, Sigma, G7516-25G), and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO were pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 25 &#956;M to 1.3 nM, top to lowest dose, respectively. Concentration and incubation times were optimized for the maximal signal-to-background while maintaining initial velocity conditions at a fixed substrate concentration. The final concentration of USP30 (human recombinant USP30, Boston Biochem, cat. #E-582) in the assay was 0.2 nM. Final substrate (Ub-Rh110; Ubiquitin-Rhodamine 110, UbiQ-126) concentration was 25 nM with [Ub-Rh110]<<Km. 3 &#956;L of 2×USP30 was added to assay plates (pre-stamped with compound), preincubated for 30 minutes and then treated with 3 &#956;L of 2×Ub-Rh110. Plates were incubated for 30 minutes at room temperature before addition of 3 &#956;L of stop solution (final concentration of 10 mM citric acid (Sigma, 251275-500G)). Fluorescence was read on the Envision (excitation at 485 nm and emission at 535 nm; Perkin Elmer) or on the PheraSTAR (excitation at 485 nm and emission at 535 nm; BMG Labtech) fluorescence reader.
11633	1	ADP detection assay	Compounds 2-9 were evaluated in an ADP detection assay externally using the Kinomescan KdELECT platform from Discover X.
11634	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzI and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 &#956;M each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
11635	1	SDFQ HTS Assay	SDFQ HTS primary assay using pAB1_FL905 was performed in 2 µL of (1 xDNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, 1 mM ATP, 0.1 mg/mL BSA). The following is the procedure: 1) Using the BioRAPTR, dispensed 1 µL of E. coli DNA Gyrase (350 ng/ µL) with a final conc. in assay 175 ng/µl. 2) Using the BioRAPTR, dispensed 1 µL of DNA pAB1_FL905 (6.425 ng/µL) - final conc in assay is 3.2125 ng/µL in assay. 3) Spun plate at 800 rpm for 30 seconds. 4) Incubated the plate at 37° C. for 2 hours in the dark and read the plate on the Envision measuring fluorescence (excitation@484 nm, emission@Em520). SDFQ HTS secondary assay using pAB1 _FL924 was performed in 2 µL of (1 ×DNA gyrase buffer: 20 mM Tris-Acetate pH 7.9, 50 mM KAc, 10 mM MgCl2, 2 mM DTT, 1 mM ATP, 0.1 mg/mL BSA). The following is the procedure: 1) Using the BioRAPTR, dispensed 1 µL of E. coli DNA Gyrase (350 ng/ µL) with a final conc. in assay 175 ng/µl. 2) Using the BioRAPTR, dispensed 1 µL of DNA pAB1_FL924 (6.425 ng/µL) - final conc in assay is 3.2125 ng/µL in assay. 3) Spun plate at 800 rpm for 30 seconds. 4) Incubated the plate at 37° C. for 2 hours in the dark and read the plate on the Envision measuring fluorescence (excitation@531 nm, emission@Em595).
11636	1	BTK Kinase Activity Inhibition Test in Vitro	Kinase Reaction Process: (1) Preparation of 1 × Kinase buffer.(2) Preparation of compound with gradient concentrations: The test compound was tested at a concentration of 1 µM, diluted to a 100-fold final concentration of 100% DMSO solution in a 384 source plate, and 3-fold diluted to 10 concentrations. 250 nL of the compound with 100-fold final concentration was transferred to a destination plate OptiPlate-384F by using a liquid handler Echo 550.(3) A kinase solution with 2.5-fold final concentration was prepared with 1 × Kinase buffer.(4) 10 µL of the kinase solution with 2.5-fold final concentration was added to compound wells and positive control wells; and 10 µL of 1 ×Kinase buffer was added to negative control wells.(5) After centrifugation at 1000 rpm for 30 seconds, the reaction plate was shaken to mix well and incubated at room temperature for 10 min.(6) A 5/3-fold final concentration of a mixed solution of ATP and Kinase substrate 2 was prepared with 1 × Kinase buffer.(7) 15 µL of the mixed solution of ATP and substrate with 5/3-fold final concentration was added to start the reaction.(8) The 384-well plate was centrifuged at 1000 rpm for 30 seconds, shaken to mix well, and incubated at room temperature for 10 min.(9) 30 µL of a stop solution was added to stop the kinase reaction, and after centrifugation at 1000 rpm for 30 seconds, the plate was shaken to mix well;(10) The conversion rate was read with Caliper EZ Reader.
11636	2	HER2 Kinase Activity Assay	1) 1× kinase reaction buffer was prepared from 1 volume of 5× kinase reaction buffer and 4 volumes of water, 1 mM dithiothreitol, 5 mM magnesium chloride, 1 mM manganese chloride and 12.5 mM SEB.2) 100 nl of the diluted compound working solution was transferred into each well of a reaction plate (784075, Greiner) by an Echo 550 liquid hander. The reaction plate was sealed with a sealing film and centrifuged at 1000 g for 1 min.3) 1 ng/µL Her2 kinase solution was prepared with 1× kinase reaction buffer.4) 5 µL of the kinase solution prepared above was added to each well of the reaction plate. The plate was sealed with a sealing film, centrifuged at 1000 g for 1 min, and placed at room temperature for 10 min.5) A mixture of 2 × kinase substrate and ATP was prepared by using 1 × kinase reaction buffer, and the 2 × Her2 kinase substrate was 2 µM TK-substrate-biotin and 4 µM ATP.6) 5 µL of the mixture of 2 × TK-substrate-biotin and ATP was added to the reaction plate, centrifuged at 1000 g for 30 seconds to start the reaction.7) Her2 kinase test was performed at room temperature for 50 min of reaction.8) A mixture of Sa-XL 665 (125 nM) and TK-antibody-Cryptate was prepared by using HTRF detection buffer.9) 10 µL of the mixture of Sa-XL 665 and TK-antibody-Cryptate was added to each well, centrifuged at 1000 g for 30 seconds, and reacted at room temperature for 1 h.10) The fluorescence signals at 615 nm (Cryptate) and 665 nm (XL665) were read by Envision 2104.
11637	1	FABP3, FABP5, and FABP7 Binding Assay	Purified FABPs (3 &#956;M) were incubated with fluorescent probe (500 nM) in 30 mM Tris, 100 mM NaCl buffer (pH 7.5). Compounds to be tested were then added to the wells (0.01-50 &#956;M) and the system was allowed to reach equilibrium by incubating in the dark at room temperature for 20 minutes. Each independent assay included wells containing a strong competitive ligand (arachidonic acid, 10 &#956;M) as a positive control for probe displacement. Loss of fluorescence intensity was monitored with a F5 Filtermax Multi-Mode Microplate Reader (Molecular Devices, Sunnyvale, CA, USA) using excitation and emission wavelengths appropriate for each respective probe (NBD-stearate ex./em.=465/535 nm, DAUDA ex./em.=345/535 nm, ANS ex./em.=370/465 nm). Following background subtraction, the fluorescence intensity values were normalized and fit to a one-site binding analysis using the GraphPad Prism software (Prism version 7.0 for Mac OS, Graphpad Software Inc., La Jolla, CA, USA) to determine the K, of the tested compounds from the equation K, =IC50/(1+([Probe]/Kd).
11638	1	Enzyme Inhibitory Efficacy Assay	Specific experimental methods are as follows. First, the compounds of Examples 1 to 89 of 1 nM to 100 &#956;M (4 conc.) were put into a 384 well plate (25 &#956;L/well), and 2 &#956;M EEMT2/G9a enzyme (4 conc.) was put into the 384 well plate (25 &#956;L/well). The plate was then centrifuged at 1,500 rpm for 5 seconds after sealing the plate with plate sealing foil. After incubating the EHMT2/G9a enzyme, SAM, and the compounds of Examples above at room temperature for 10 minutes, 2 &#956;M histone H3 peptide (4 conc.) was added to the 384-well plate (25 &#956;L/well). After sealing the plate with plate sealing foil and centrifuging at 1,500 rpm for 5 seconds, an enzymatic reaction was performed at room temperature for 1 hour. Upon completion of the enzyme reaction, 5 &#956;L each of 200 nM Ulight -Streptavidin (4 conc.) and 8 nM Eu-antibody (4 conc.) was added to each well of the plate. The plate was sealed with plate sealing foil, centrifuged at 1,500 rpm for 5 seconds and reacted at room temperature for 1 hour. The signal values were measured with Envision (Ex 320 nm, Em 665 nm), and all background values obtained by reacting without enzyme were deleted from the measured raw data values.
11639	1	PLK4 Biochemical Assay	Activity of human recombinant PLK4 (ThermoFisher, cat #PV6396) was measured by quantification of adenosine diphosphate (ADP) using the ADP-Glo Kinase Assay Kit (Promega, cat #V9102). Test compounds were solubilized in dimethyl sulfoxide (DMSO) and dispensed into 384-well white polystyrene nonbinding plates (Greiner, cat #781094) using the Echo acoustic dispenser (Labcyte Inc.) in a 11-point 3-fold titration in duplicates. 5 µL of 1.0 nM PLK4 protein in assay buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% BSA, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT) was added to the plates. Test compounds and PLK4 were incubated for 15 minutes at room temperature (RT). Then 5 µL of a 16 µM adenosine triphosphate (ATP) (Promega, cat #V915B) and 9.3 µM Myelin Basic Protein (MBP) (SignalChem, cat #M42-51N) substrate solution in assay buffer was added and the reaction mixture was incubated for 6 hours at RT. The final concentration of PLK4, ATP and MBP in the reactions were 0.5 nM, 8.0 µM and 4.7 µM, respectively. Reactions were stopped and the remaining ATP depleted by adding 10 µL of ADP-Glo reagent (Promega, cat#V912B) and incubating for 40 minutes at RT. The simultaneous conversion of the remaining ADP to ATP and measurement of the newly synthesized ATP was achieved by addition of 20 µL Kinase Detection reagent (Promega, cat #V914B), incubation for 30 min at RT, and luminescence detection using the EnVision plate reader (PerkinElmer). Reactions lacking PLK4 were used as 100% inhibition controls. Reactions containing DMSO alone were used as 0% inhibition controls. The IC50 values reported in Table 2 were determined using four parameter non-linear regression curve fit.
11639	2	Aurora A Kinase Biochemical Assay	Activity of human recombinant Aurora A (ThermoFisher, cat #PR5935A) was measured by quantification of adenosine diphosphate (ADP) using the ADP-Glo Kinase Assay Kit (Promega, cat #V9102). Test compounds were solubilized in dimethyl sulfoxide (DMSO) and dispensed into 384-well white polystyrene nonbinding plates (Greiner, cat #781094) using the Echo acoustic dispenser (Labcyte Inc.) in a 11-point 3-fold titration in duplicates. 5 µL of 5.0 nM Aurora A in assay buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% BSA, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT) was added to the plates. Test compounds and Aurora A were incubated for 15 minutes at room temperature (RT). Then 5 µL of a 40 µM adenosine triphosphate (ATP) (Promega, cat #V915B) and 9.3uM Myelin Basic Protein (MBP) (SignalChem, cat #M42-51N) substrate solution in assay buffer was added and the reaction mixture was incubated for 2 hours at RT. The final concentration of Aurora A, ATP and MBP in the reactions were 2.5 nM, 20 µM and 4.7 µM, respectively. Reactions were stopped and the remaining ATP depleted by adding 10uL of ADP-Glo reagent (Promega, cat#V912B) and incubating for 40 minutes at RT. The simultaneous conversion of the remaining ADP to ATP and measurement of the newly synthesized ATP was achieved by addition of 20 µL Kinase Detection reagent (Promega, cat #V914B), incubation for 30 min at RT, and luminescence detection using the EnVision plate reader (PerkinElmer). Reactions lacking Aurora A were used as 100% inhibition controls. Reactions containing DMSO alone were used as 0% inhibition controls. The IC50 values reported in Table 2 were determined using four parameter non-linear regression curve fit.
11639	3	Aurora B Kinase Biochemical Assay	Activity of human recombinant Aurora B (ThermoFisher, cat #PR9210B) was measured by quantification of adenosine diphosphate (ADP) using the ADP-Glo Kinase Assay Kit (Promega, cat #V9102). Test compounds were solubilized in dimethyl sulfoxide (DMSO) and dispensed into 384-well white polystyrene nonbinding plates (Greiner, cat #781094) using the Echo acoustic dispenser (Labcyte Inc.) in a 11-point 3-fold titration in duplicates. 5 µL of 20 nM Aurora B in assay buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 0.01% BSA, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT) was added to the plates. Test compounds and Aurora B were incubated for 15 minutes at room temperature (RT). Then 5 µL of a 228 µM adenosine triphosphate (ATP) (Promega, cat #V915B) and 9.3 µM Myelin Basic Protein (MBP) (SignalChem, cat #M42-51N) substrate solution in assay buffer was added and the reaction mixture was incubated for 2 hours at RT. The final concentration of Aurora b, ATP and MBP in the reactions were 10 nM, 114 µM and 4.7 µM, respectively. Reactions were stopped and the remaining ATP depleted by adding 10uL of ADP-Glo reagent (Promega, cat#V912B) and incubating for 40 minutes at RT. The simultaneous conversion of the remaining ADP to ATP and measurement of the newly synthesized ATP was achieved by addition of 20 µL Kinase Detection reagent (Promega, cat #V914B), incubation for 30 min at RT, and luminescence detection using the EnVision plate reader (PerkinElmer). Reactions lacking Aurora B were used as 100% inhibition controls. Reactions containing DMSO alone were used as 0% inhibition controls. The IC50 values reported in Table 2 were determined using four parameter
11640	1	EZH2 Enzyme Activity Assay	The compounds were dissolved in DMSO, formulated into 10 mM solutions and serially diluted with DMSO to obtain 100-fold the final concentration. 200 nL of the solutions of the compounds was transferred to a 384-well plate (Perkin Elmer, Cat. No. 6007299) by using Echo550. EZH2 (BPS, Cat. No. 51004) was diluted with 1×assay buffer (50 mM Tris-HCl 9.0, 0.01% Tween-20, 1 mM DTT) to 2-fold the final concentration (EZH2: 3 nM). A mixed solution of H3K27(21-44) and [3H]-SAM (PerkinElmer, Lot. No. 2146246) (H3K27(21-44): 200 nM, [3H]-SAM: 100 nM) was formulated. The EZH2 diluted solution was taken and added to the 384-well plate at 10 &#956;L/well (10 &#956;L of 1×assay buffer was added in the control group). The plate was sealed and then incubated at room temperature for 15 minutes. 10 &#956;L of the mixed solution of H3K27 (21-44) and [3H]-SAM was added to each well. The plate was sealed and then incubated at room temperature for 60 minutes. 50 &#956;M of SAM (Sigma, Cat. No. A7007) was formulated at low temperature and added to the 384-well plate at 10 &#956;L/well. The sample was taken at 25 &#956;L/well, transferred to a flashplate and incubated at room temperature for at least 1 hour. The flashplate was washed 3 times with a plate washing liquid (dH2O+0.1% Tween-20) and read by using Microbeta. 
11641	1	In Vitro Kinase Assay	In vitro kinase assays were conducted using Kinase Profiler services provided by Eurofins. The experimental method was as follows: the small molecule compound to be tested (0.001-10 &#956;M), the protein kinase to be tested were incubated with a buffer containing substrate, 10 mM magnesium acetate, and [&#947;-33P-ATP], the reaction was started by adding MgTPmix, after incubation for a period of time at room temperature, a 3% phosphate solution was added to the buffer to stop the reaction. Subsequently, 10 &#956;L of the reaction mixture was quantitatively pipetted onto P30 filter paper, which was washed three times with 75 mM phosphate solution and then once with methanol. The P30 filter paper was air-dried and scintillation fluid was added for scintillation counting. The inhibitory activity of the compounds was expressed as the half maximal inhibitory concentration, IC50, which was fitted to the inhibition ratio corresponding to each concentration gradient.
11642	1	CSNK1A1 Assay 2	CSNK1A1-inhibitory activity of compounds of the present invention in presence of 1 &#956;M adenosine-tri-phosphate (ATP) was quantified employing the CSNK1A1 assay as described in the following paragraphs. In essence, the enzyme activity is measured by quantification of the adenosine-di-phosphate (ADP), which is generated as a co-product of the enzyme reaction, via the ADP-Glo Kinase Assay kit from the company Promega. This detection system works as follows: In a first step the ATP not consumed in the kinase reaction is quantitatively converted to cAMP employing an adenylate cyclase ( ADP-Glo-reagent ), then the adenylate cyclase is stopped and the ADP generated in the kinase reaction converted to ATP which generates in a luciferase-based reaction a glow-luminescence signal ( Kinase Detection Reagent ). Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-KRRRAL-pS-VASLPGL (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) and peptide substrate (50 &#956;M=>final conc. in the 5 &#956;L assay volume is 30 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22 C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentrations are about 0.0375 ng/&#956;L. 
11642	2	CSNK1D Assay	CSNK1D-inhibitory activity of compounds of the present invention in presence of 1 &#956;M adenosine-tri-phosphate (ATP) was quantified employing the CSNK1D assay as described in the following paragraphs. In essence, the enzyme activity is measured by quantification of the adenosine-di-phosphate (ADP), which is generated as a co-product of the enzyme reaction, via the ADP-Glo Kinase Assay kit from the company Promega. This detection system works as follows: In a first step the ATP not consumed in the kinase reaction is quantitatively converted to cAMP employing an adenylate cyclase ( ADP-Glo-reagent ), then the adenylate cyclase is stopped and the ADP generated in the kinase reaction converted to ATP which generates in a luciferase-based reaction a glow-luminescence signal ( Kinase Detection Reagent ).Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1D, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV3665) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide Btn-Ahx-SGSEGDSESGEEEG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1D in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) and peptide substrate (50 &#956;M=>final conc. in the 5 &#956;L assay volume is 30 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1D was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.5 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP.
11642	3	WT-EGFR Kinase Assay	Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and a fragment of human EGFR (amino acids R669 to A1210), expressed in Sf9 insect cells and purified via affinity chromatography using Glutathion Sepharose as described above, was used as kinase. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-AEEEEYFELVAKKK (C-terminus in amide form) was used which can be purchased e.g. form the company Biosynthan GmbH (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 3.33 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 7.6 pg/&#956;L. The reaction was stopped by the addition of 3 &#956;L of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66-Tb-cryptate PT66-Eu-Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Tb-Cryptate. 
11642	4	CSNK1A1 Assay 1	CSNK1A1-inhibitory activity of compounds of the present invention in presence of 1 &#956;M adenosine-tri-phosphate (ATP) was quantified employing the CSNK1A1 assay as described in the following paragraphs. In essence, the enzyme activity is measured by quantification of the adenosine-di-phosphate (ADP), which is generated as a co-product of the enzyme reaction, via the ADP-Glo Kinase Assay kit from the company Promega. This detection system works as follows: In a first step the ATP not consumed in the kinase reaction is quantitatively converted to cAMP employing an adenylate cyclase ( ADP-Glo-reagent ), then the adenylate cyclase is stopped and the ADP generated in the kinase reaction converted to ATP which generates in a luciferase-based reaction a glow-luminescence signal ( Kinase Detection Reagent ).Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide Btn-Ahx-SGSEGDSESGEEEG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of ATP (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) and peptide substrate (50 &#956;M=>final conc. in the 5 &#956;L assay volume is 30 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is 0.15 ng/&#956;L. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;L of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
11643	1	Solid Phase Integrin &#945;v&#946;1 Binding Assay	Microplates were coated with recombinant human integrin &#945;v&#946;1 (2 ug/ml) in PBS (100 ul/well 4° C., overnight). The coating solution was removed, washed with PBS. Plate was blocked with 200 ul/well of Block Buffer (2% BSA in PBS) at 37° C. for 1 h. Dilutions of testing compounds and recombinant fibronectin (2 ug/ml) in binding and washing buffer (50 mM Tris-HCl, ph7.5; 0.1% BSA, 1 mM MnCl2; NaCl 150 mM; 0.02% Tween-20; 1 mM CaCl2); 1 mM MgCl2) were added. The plate was incubated for 2 hours at 25° C., washed, and incubated for 1 hour with Biotin-Anti-fibronectin. Bound antibody was detected by peroxidase-conjugated streptavidin.
11644	1	PRMT5 Enzyme Inhibitory Activity Assay	Experimental objective: To test the inhibitory effect of compounds on PRMT5 enzyme activity. Experimental materials: PRMT5 enzyme. Experimental operation: Test compounds were added at a certain concentration (0.17 nM to 99010 nM) to a white transparent bottomed 384-well plate using LABCYTE Echo 550, then PRMT5 was added, and a vehicle control (with DMSO and without compound) and a blank control (with DMSO and without PRMT5) were set up. The plate was incubated at 25° C. for 30 min, then added with substrate, and reacted at 25° C. for 90 min. After 90 min, the detection reagent was added to the 384-well plate using PerkinElmer LANCE Ultra TR-FRET standard method to combine with the enzyme-substrate reaction product. After 1 hour of reaction at 25° C., the signal was detected on a PerkinElmer EnVision 2105 Multimode Plate Reader.
11645	1	ELISA-based PBD-binding inhibition assay	An ELISA-based PBD-binding inhibition assay was performed essentially as described previously. Briefly, a biotinylated PBIP1 p-T78 peptide (i.e., Biotin-Ahx-C-ETFDPPLHSpTAI-NH2) was first diluted with 1× coating solution (SeraCare, Gaithersburg, MD) to the final concentration of 0.3 &#956;M, and then 100 &#956;l of the resulting solution was immobilized onto a 96-well streptavidin-coated plate (Nalgene Nunc, Rochester, NY). The wells were washed once with PBS+0.05% Tween20 (PBST) and incubated with 200 &#956;l of PBS plus 1% BSA (blocking buffer) for 1 h to prevent non-specific binding. HEK293A lysates expressing HA-EGFP-Plk1 were prepared in a TBSN [20 mM Tris-HCl (pH 8.0), 150 mM NaCl, 0.5% NP-40, 5 mM EGTA, 2 mM MgCl2, 1.5 mM EDTA, and protease inhibitor cocktail (Roche)]+20% DMSO buffer ( 20 &#956;g total lysates in 100 &#956;l buffer), mixed with the indicated amount of the competitors (p-T78 peptide and its derivative compounds) for 30 min, provided onto the biotinylated peptide-coated ELISA wells, and then incubated with constant rocking for 1 h at 25° C. Following the incubation, ELISA plates were washed 5 times with PBST. To detect bound HA-EGFP-Plk1, the plates were probed for 2 h with 100 &#956;l/well of anti-HA antibody at a concentration of 0.5 &#956;g/ml in the blocking buffer and then washed 5 times. The plates were further probed for 1 h with 100 &#956;l/well of HRP-conjugated secondary antibody (GE Healthcare) at a 1:1,000 dilution in the blocking buffer. The plates were washed 5 times with PBST and incubated with 100 &#956;l/well of 3,3&#8242;,5,5&#8242;-tetramethylbenzidine solution (Sigma-Aldrich, St. Louis, MO) as substrate until a desired absorbance was reached. The reactions were stopped by the addition of 100 &#956;l/well of stop solution (Cell Signaling Technology, Danvers, MA). The optical density (O.D.) was measured at 450 nm by using a Perkin-Elmer Enspire Multimode Plate reader (PerkinElmer, Inc., Boston, MA). Data obtained from more than three independent experiments were analyzed by GraphPad (San Diego, CA) Prism software version 7.[0568]Microsomal metabolic stability assays were performed as reported previously (Urban et al., Sci. Rep. 2017, 7 (1), 12758). PAMPA permeability was measured using a high throughput protocol, as reported (Sun et al., Bioorg. Med. Chem. 2017, 25 (3), 1266-1276). Aqueous solubility was determined by a published procedure (Sun et al., Bioorg. Med. Chem. 2019, 27 (14), 3110-3114).
11646	1	Ubiquitin-Rhodamine110 Assay	USP28 (at 1 nM) was pre-incubated with different concentrations of inhibitors or DMSO as a control in 50 mM Tris pH 8, 50 mM NaCl, 0.002% Tween-20, 5 mM DTT. Compounds and protein were incubated for 30 minutes at room temperature prior to the addition of Ubiquitin-Rho110 (Boston Biochem) substrate for a final concentration of 125 nM. The initial rate of the reaction was measured by collecting fluorescence data at one-minute interval over 30-minute period using a Clariostar fluorescence plate reader at excitation and emission wavelength of 485 nm and 535 nm, respectively. The calculated initial rate values were plotted against inhibitor concentrations to determine IC50s. All the experimental data were plotted using GraphPad Prism .
11647	1	CDC7 Kinase Biochemical Assay	Full length human CDC7 protein co-expressed with DBF4 was purchased from SignalChem (China). CDC7 kinase activity was determined with PDKtide (SignalChem) as a substrate and by measuring ADP production using the ADP-Glo Kinase Assay kit (Promega) following the manufacturers instructions. The kinase reaction was performed using the following conditions: Buffer: 40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA and 50 uM DTT. Final reaction mix contained 0.1 nM CDC7/DBF4, 1 uM ATP and 10 uM PDKtide. The kinase reaction time was 4 h. The ADP-Glo signal was measured using an EnVision plate reader (PerkinELmer).
11648	1	In Vitro Inhibitory Activity Against PD-1/PD-L1 Binding	The experiment process was carried out according to the flow required in the operating manual of the test reagent.The process was as follows:(1) Experiment preparation: A test compound was diluted to different concentration gradients with the dilution buffer (the highest final concentration in a 20 &#956;L final reaction system was 10 &#956;M). The His-PD-1 protein was diluted to 800 nM (the final concentration in the 20 final reaction system was 100 nM). The PD-L1-Fc fusion protein was diluted to 16 nM (the final concentration was 2 nM). The anti-His-XL665 antibody and the anti-hFc-Eu3+ antibody were diluted 20 times and 100 times respectively with the detection buffer according to reagent requirements.(2) First, 5 &#956;L of the test compound, 2.5 &#956;L of the PD-L1-Fc fusion protein and 2.5 &#956;L of the His-PD-1 protein solution were well mixed and incubated at room temperature for 15 min; then, 5 &#956;L of the anti-His-XL665 antibody and 5 &#956;L of the anti-hFc-Eu3+ antibody were added to the system and further incubated for 3 h before test.(3) During the test reaction, control groups were set, including a 0% inhibition positive control without adding the test compound and a 100% inhibition negative control without adding the PD-1 protein. All tests were conducted by use of multiple holes.(4) The fluorescence detector Tecan (Spark 10M) was used to detect the fluorescence signal of each hole. The excitation wavelength was 320 nm, and the emission wavelengths for detection were 620 nm and 665 nm, respectively. The strength of PD-1/PD-L1 binding refers to a fluorescence signal ratio Em665/Em620.(5) Calculation formula of binding inhibition rate of test compound: Inhibition rate (%)=[1&#8722;(fluorescence signal ratio of detected hole&#8722;fluorescence signal ratio of 100% inhibition negative control)]/(fluorescence signal ratio of 0% inhibition positive control&#8722;fluorescence signal ratio of 100% inhibition negative control)×100%. The 50% inhibition concentration (IC50) was calculated after the PD-1/PD-L1 binding inhibition rates of the test compound with different concentration gradients were calculated respectively. 
11649	1	Binding of PD-1 to PD-L1 Using Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay	Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay. The interaction of PD-1 and PD-L1 can be assessed using soluble, purified preparations of the extracellular domains of the two proteins. The PD-1 and PD-L1 protein extracellular domains were expressed as fusion proteins with detection tags, for PD-1, the tag was the Fc portion of Immunoglobulin (PD-1-Ig) and for PD-L1 it was the 6 histidine motif (PD-L1-His). All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (with) bovine serum albumin and 0.05% (v/v) Tween-20. For the h/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. HTRF detection was achieved using europium cryptate-labeled anti-Ig (1 nM final) and allophycocyanin (APC) labeled anti-His (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of the binding reaction. The reaction mixture was allowed to equilibrate for 30 minutes and the resulting signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer. Additional binding assays were established between the human proteins PD-1-Ig/PD-L2-His (20 & 5 nM, respectively) and CD80-His/PD-L1-Ig (100 & 10 nM, respectively).
11650	1	RBC HotSpot Poly(ADP-ribose) Polymerases 1 (PARP1) and Poly(ADP-ribose) Polymerases 2 (PARP2) Assays	i. PARP1 assay: Human recombinant PARP1 at a final concentration of 2.5 nM was combined with histone H4 (20 &#956;M) and test articles at various concentrations in reaction buffer (50 mM Tris-HCL, pH 8.0, 50 mM NaCl, 10 mM MgCl2, 1 mM DTT, 1% DMSO, and 20 &#956;g/mL activated DNA). The solution was inoculated for 20 min at room temperature and the reaction initiated by adding [adenylate-32P]-Nicotinamide Adenine Dinucleotide, 32P-NAD+ at a final concentration of 10 &#956;M. After incubation for 2 hrs at room temperature, the reaction mixture was filtered and washed with 0.75% phosphoric acid for radioactivity detection.ii. PARP2 assay: Human recombinant PARP2 at a final concentration of 2.5 nM was combined with histone H3 (20 &#956;M) and test articles at various concentrations in reaction buffer (50 mM Tris-HCL, pH 8.0, 50 mM NaCl, 10 mM MgCl2, 1 mM DTT, 1% DMSO, and 20 &#956;g/mL activated DNA). The solution was inoculated for 20 min at room temperature and the reaction was initiated by adding [adenylate-32P]-Nicotinamide Adenine Dinucleotide, 32P-NAD+ at a final concentration of 10 &#956;M. After incubation for 2 hrs at room temperature, the reaction mixture was filtered and washed with 0.75% phosphoric acid for radioactivity detection.
11650	2	AR Binding Assay	AR in LNCaP cytosol was used for determining the binding affinity of test articles and the reference compound progesterone (Sigma, Cat: E2785, St. Louis, MO). IC50s were determined using 8 concentrations/compound. Cytosol was plated at 200 &#956;g/well (100 &#956;L) into a 96-well conical polypropylene plate (Agilent, Cat: 5042-1385, Santa Clara, CA) and mixed with 3 &#956;L of test compound. After adding 100 &#956;L of 3H-methyltrienolone (PerkinElmer, Cat: NET590250UC, San Jose, CA), the plate was sealed and shaken at 300 rpm at 4 C. for 24 hours. Post incubation, 100 &#956;L of radioligand adsorption buffer containing 10 mM Tris-HCl, pH 7.4; 1.5 mM EDTA; 1 mM DTT; 0.25% charcoal; 0.0025% dextran was added to individual well. Plate was shaken for 15 min at 4 C. followed by centrifugation at 3000 rpm for 30 min at 4 C. 150 &#956;L of supernatant was transferred into scint-tube (PerkinElmer, Cat: 6000192) and mixed with 2 mL of Ultima Gold Cocktail (PerkinElmer, Cat: 6013329). Radioactivity was counted using a TriCarb 2910 TR scintillation counter (PerkinElmer).
11650	3	ER Binding Assay	ER&#945; binding was assessed by the LanthaScreen TR-FRET ER Alpha Competitive Binding Assay at Thermo Fisher. In this assay, a terbium-labeled anti-GST antibody was used to indirectly label GST-tagged ER Alpha-ligand binding domain (LBD) by binding to its GST tag. Competitive binding to the ER Alpha-LBD (GST) was detected by a test compound&#39;s ability to displace a fluorescent ligand (Fluormone ES2 Green tracer) from the ER Alpha-LBD (GST), which results in a loss of FRET signal between the Tb-anti-GST antibody and the tracer. When running the assay, Fluormone ES2 Green tracer was added to ligand test compounds or solvent controls followed by addition of a mixture of the ER Alpha-LBD (GST) and terbium anti-GST antibody. After an incubation period at room temperature, the TR-FRET ratio of 520:495 emissions were calculated and used to determine the IC50 from a dose response curve of the compound.
11651	1	Enzyme Kinetics - Measuring Inactivation Rates of Inhibitors	Inactivation solutions contained a final concentration of 16.55 nM of Cerezyme (Recombinant GCase) in 200 &#956;L of Reaction Buffer (50 mM acetate, 0.2% v/v Triton X-100, 0.3% w/v sodium taurocholate, pH 5.5). The Cerezyme was collected from leftover patient vials and had approximately 8275 nM in the vial. These enzyme Reaction Buffers were brought to 37 C. and spiked with a corresponding inhibitor to make the final inhibitor concentration either 20 nM, 40 nM, 60 nM, 80 nM, 120 nM, 160 nM and 200 nM. Once the inhibitor was added this was considered time=0 minutes. Meanwhile a 96 well plate inside a Biotek Synergy 4 hybrid multi-mode reader at 37 C. was being incubated. In the wells of the plate were waiting a high concentration (3.2 mM) of 2,4-DNP-&#946;-Glc substrate in 180 &#956;L of Reaction Buffer. As the inhibitor inactivation was occurring, 20 &#956;L aliquots were taken from the inactivation solutions and diluted on the plate containing the substrate bringing the final concentration of the substrate to 4 mM. Once all the aliquots were added the solution in the wells was measured for absorbance at 400 nm for 8 minutes. At this time the measurements were paused and the next set of aliquots were taken to see how residual enzyme activity changes over time. 
11652	1	SHP2 Allosteric Inhibition Assay	The phosphatase reaction was conducted in 384-well black polystyrene plates (Corning, Cat #3575) with flat bottom, low edge and non-binding surface at room temperature and 25 &#956;l final volume of the following buffer condition: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The following experiments were conducted to monitor the SHP2 inhibition by the compounds (at concentrations of 0.0003-100 &#956;M) in this invention:Wherein, incubate 0.5 nM SHP2 with 0.5 &#956;M peptide IRS1_pY1172 (dPEG8) pY1222 (sequence: H2N-LN (pY) IDLDLV (dPEG8) LST (pY) ASINFQK-amide) (SEQ ID NO: 1) (WO2016/203406A1). After incubation at 25° C. for 30-60 minutes, the alternative substrate DiFMUP (Invitrogen, cat #D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then carefully diluted by adding 5 &#956;L of a 160 &#956;M bpV (Phen) solution (Enzo Life Sciences cat #ALX-270-204). The fluorescence signal was monitored using a microplate reader (VARIOSKAN LUX, Thermo) with excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitory dose-response curve is analyzed using a standardized IC50 regression curve based on control-based normalization.
11653	1	Biochemical Activity Assay	Table 13: The compounds disclosed herein, in particular those of Formula (I), were synthesized according to methods disclosed in PCT/US2020/066439, published as WO2021127643A1, which is incorporated herein by reference in its entirety. These compounds were tested for potency against HDAC6 and selectivity against HDAC1 in a biochemical assay. A biochemical assay was adopted using a luminescent HDAC-Glo I/II assay (Promega) and measured the relative activity of HDAC6 and HDAC1 recombinant proteins. Compounds were first incubated in the presence of HDAC6 or HDAC1 separately, followed by addition of the luminescent substrate. The data was acquired using a plate reader and the biochemical IC50 were calculated from the data accordingly.
11653	2	Biochemical Activity Assay	Table 14: The compounds disclosed herein, in particular those of Formula (II), were synthesized according to methods disclosed in WO2021067859, which is incorporated herein by reference in its entirety. These compounds were tested for potency against HDAC6 and selectivity against HDAC1 in a biochemical assay. A biochemical assay was adopted using a luminescent HDAC-Glo I/II assay (Promega) and measured the relative activity of HDAC6 and HDAC1 recombinant proteins. Compounds were first incubated in the presence of HDAC6 or HDAC1 separately, followed by addition of the luminescent substrate. The data was acquired using a plate reader and the biochemical IC50 were calculated from the data accordingly. 
11654	1	MEK-RAF Binding Assay	Table 3: Compound effects on binding affinity of MEK to BRAF or CRAF were followed by surface plasmon resonance (SPR) with single-cycle kinetic analysis. GST-BRAF or GST-CRAF was immobilized onto a chip and increasing concentrations of His-tagged MEK1 were flowed over the sensor chip. 500 mM ATP was added to the running buffer. The dissociation constant for MEK1 binding to either BRAF or CRAF was calculated in the absence and presence of compound. Analyses were carried out on a Biacore 8K instrument. Sensorgrams were double-reference and DMSO corrected.
11654	2	AlphaLISA  Assay	Table 8: Exemplary MEK inhibitor compounds (0, 0.01, 0.1, or 1 &#956;M) were added to a 384-AlphaPlate (PerkinElmer, 6008350) by a digital liquid dispenser (Tecan D300e) based on a total volume of 20 &#956;L reaction mixture. 5 &#956;L 4×MEK1 stock solution was added to wells A1-P20 by multichannel pipettes. The plate was sealed with clear olefin sealing tape (Thermo Scientific, 232701), centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 30 minutes. 5 &#956;L 4×CRAF stock solution at different concentrations or 5 &#956;L or 10 &#956;L AlphaLISA buffer was added by multichannel pipettes. The plate was sealed, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 60 minutes. 5 &#956;L 4×glutathione acceptor beads were first added to all wells by multichannel pipettes. The ambient light was subsequently adjusted to <100 lux (light meter) before adding 5 &#956;L 4×nickel chelate donor beads to the same wells. From this step on, the plate was covered with a black plate cover, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 60 minutes.
11654	3	The stabilization effect of I-2 and avutometinib (VS6766) on MEK1-CRAF complex were tested and compared using SPR.	Table 11: The experiments were performed on Biacore S200 (Cytiva). Biotinylated, unphosphorylated MEK1 was diluted to 0.1 uM by SPR buffer C (20 mM Tris-HCl (pH 7.4), 150 mM NaCl, 0.05% Tween 20, 10 mM MgCl2) and immobilized on sensor chip SA to reach an immobilization level of 60-100 RU. Tag-free CRAF (306-648, Y340D, Y341D) were diluted to a concentration of 3.75, 7.5, 15, 30, 60, 120 nM, and I-2 and avutometinib (VS6766) were diluted to 50 nM in SPR buffer D (20 mM Tris-HCl (pH 7.4), 150 mM NaCl, 0.05% Tween 20, 10 mM MgCl2, and 1% DMSO). I-2 or avutometinib (VS6766) was first injected over the chip surface at 30 &#956;L/min with a 60 second on-time and 0 second off-time, followed by injection of CRAF in a single cycle kinetic (SCK) mode, at a flow rate of 30 &#956;L/min and with a 60 second on-time and a 900 second off-time.
11655	1	Human D1 Receptor PAM Assay	Test compound is serially diluted (1:2) with DMSO into assay plates (ProxiPlate-384 Plus, PerkinElmer) using acoustic dispensing (Labcyte) to provide 20 concentrations for full response curves. Test compound (80 nL) is added to 5 &#956;L STIM buffer containing 2000 cells, and 5 &#956;L of a 2 concentration dopamine solution in STIM buffer that will generate an EC20 level response (24 nM in stock solution, or 12 nM final) and a final DMSO concentration in the well of 0.8%. Plates are incubated at room temperature for a total reaction time of 60 min. cAMP production is quantified using HTRF detection (Cisbio) according to the manufacturer&#39;s instructions. Generally, lysis buffer containing anti-cAMP cryptate (5 &#956;L) and D2-conjugate (from HTRF kit)(5 &#956;L) is added to the wells, plates are incubated for an additional 60-90 min, and the time-resolved fluorescence is detected using an EnVision plate reader (PerkinElmer). Fluorescence data is converted to cAMP concentrations using a cAMP standard curve and analyzing using a 4-parameter non-linear logistic equation (Genedata Screener, version 13.0.5-standard). 
11656	1	BIOLOGICAL ACTIVITY	Reagents and instruments: radiolabeled dihydrotestosterone (DHT-d3) and unlabelled dihydrotestosterone (DHT) purchased from Sigma-Aldrich (St. Louis, Mo.), scintillation solution purchased from Perkin Elmer Life Sciences (Boston, Mass.), hydroxyapatite (HAP) suspension purchased from Bio-Rad Laboratories (Hercules, Calif.), buffer (containing 10 mM Tris, 1.5 mM disodium EDTA, 0.25 M sucrose, 10 mM sodium molybdate and 1 mM PMSF, pH value adjusted to 7.4), and hydroxyapatite (HAP) solution (containing 50 mM Tris and 1 mM KH2PO4, pH value adjusted to 7.4).
11657	1	Effect of Compound I on CSF1R Kinase Activity	1. ELISA Assay: The enzyme reaction substrate poly(Glu, Tyr)4:1 was diluted to 20 &#956;g/mL with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH7.2-7.4). Plates were coated with the dilution, allowed to incubate at 37° C. for 12-16 h, washed with T-PBS (0.1% Tween-20 in potassium-free PBS), and dried for later use. An ATP solution (final concentration of 5 &#956;M) diluted with a reaction buffer (50 mM HEPES pH 7.4, 50 mM MgCl2, 0.5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT), a test compound or solvent control, and a recombinant CSF1R kinase were added sequentially to individual wells to initiate the reaction. After reaction at 37° C. for 1 hour, the plates were washed with T-PBS, and the antibody PY99 dilution was added. The plates were incubated on a shaker at 37° C. for 0.5 h, and then washed with T-PBS. A horseradish peroxidase-labeled goat anti-mouse secondary antibody dilution was added, and the plates were incubated at 37° C. for 0.5 h. After the plates were washed, an OPD developing solution (diluted with 0.1 M citric acid-sodium citrate buffer (pH=5.4) containing 0.03% H2O2) was added at 2 mg/mL and the plates were allowed to react in the dark at 25° C. for 1 to 10 minutes. Finally, 2 M H2SO4 was added to stop the reaction. The plates were read with an adjustable wavelength microplate reader at a wavelength of 490 nm. The inhibition rate was calculated as follows.Inhibition&#8290;Rate&#8290;%=(1&#8290;&#8208;&#8290;Compound&#8290;OD&#8290;&#8290;value&#8290;&#8208;&#8290;Enzyme&#8290;&#8208;&#8290;free&#8290;control&#8290;OD&#8290;value)Solvent&#8290;&#8290;OD&#8290;value&#8290;&#8208;&#8290;Enzyme&#8290;&#8208;&#8290;free&#8290;control&#8290;OD&#8290;value×100&#8290;%The IC50 values were calculated by a four-parameter regression program in the software embedded in the microplate reader.
11658	1	Inhibition of KIF18A Microtubule-Dependent ATPase Activity	Test compounds were plated in a 3x dilution scheme in a 384-well plate. Assay buffer: 80 mM PIPES (pH 6.9), 1 mM MgCl2, 75 mM KCl, 1 mM EGTA, 1 mM DTT, 0.01% BSA, 0.005% Tween-20, 1 uM Taxol in H2O. To 50 nL of compound in DMSO was added 2.5 uL of enzyme mix [4 nM hKIF18A (1-374) in assay buffer]. After incubation at room temperature for 30 min, 2.5 uL of microtubule mix was added [0.2 mg/mL pre-formed microtubules, 2.0 mM ATP in assay buffer], the plate was centrifuged for 30 s and then incubated at 28  C. for 60 min. 5 uL of Promega ADP-Glo Max R1 was added, the plate was centrifuged for 30 s, and the mixture incubated for 4 h at room temperature. 10 uL of Promega ADP-Glo Max R2 was added, the plate centrifuged for 30 s, and incubated for 60 min at room temperature. Luminescence was measured with an Envision plate reader, and % Inhibition was calculated for each well as: ([max-min]-[test-min])/[max-min]. IC50 values were calculated from concentration vs. % Inhibition data via a four-parameter variable slope model.
11658	2	Binding Kinetic Assay	Compound binding kinetics parameters (kon and koff) were determined by the method of global progress curve analysis (GPCA). KIF18A (0.25 nM) was incubated for up to 24 hr with serially diluted compound in the assay buffer containing 80 mM PIPES, pH 6.9, 1 mM ATP, 0.1 mg/ml preformed microtubule from porcine brain (Cytoskeleton), 1 mM MgCl2, 1 M Taxol, 75 mM KCl, 1 mM EGTA, 1 mM DTT, 0.01% BSA and 0.005% Tween-20. ADP product levels were determined by the Promega ADP-Glo assay. The time/dose-dependent progress curves were then globally fit to a Michaelis-Menten kinetics model with 1-step slow binding inhibition to derive both on-rate kon and off-rate koff values (Zhang, R., Wong, K. (2017): High performance enzyme kinetics of turnover, activation and inhibition for translational drug discovery , Expert Opinion on Drug Discovery, 2017 January; 12(1):17-37. doi: 10.1080/17460441.2017.1245721).
11659	1	DLK Biochemical Assay	Assay Protocol for 1536 MTP format: test compounds were predispensed (60 nl) in test plates; +3 &#956;l DLK solution (10 nM DLK, catalytic domain, Carna Biosiences, 0.6 mM DTT in assay buffer); +2 &#956;l substrate solution (15 nM MKK7, LDB; 60 &#956;M ATP; 0.4 mM DTT in assay buffer); 90 min incubation at RT; +2 &#956;l detection mix (5 nM XL665-labeled anti-His antibody, Cisbio; 0.1 nM Eu-labeled anti-phospho-MKK7 (T275/S277), Cisbio/Millipore in detection buffer); 16 h incubation at 37° C.; endpoint measurement BMG (HTRF). Assay Protocol for 384 low volume MTP format: 1 &#956;l of test compounds were pipetted into test plate; +5 &#956;l DLK solution (10 nM DLK, catalytic domain, Carna Biosiences in assay buffer); +5 &#956;l substrate solution (15 nM MKK7, LDB; 60 &#956;M ATP, in assay buffer); 90 min incubation at RT; +9 &#956;l detection mix (20 nM XL665-labeled anti-His antibody, Cisbio; 0.4 nM Eu-labeled anti-phospho-MKK7 (T275/S277), Cisbio/Millipore in detection buffer); 16 h incubation at 4° C.; endpoint measurement BMG (HTRF).
11659	2	LZK Biochemical Assay	Assay Protocol for 384 low volume MTP format: 1 &#956;l of test compound was pipetted into test plate; +5 &#956;l LZK solution (10 nM LZK, catalytic domain, Carna Biosiences in assay buffer); +5 &#956;l substrate solution (15 nM MKK7, LDB; 15 &#956;M ATP, in assay buffer); 90 min incubation at RT; +5 &#956;l detection mix (20 nM XL665-labeled anti-His antibody, Cisbio; 0.4 nM Eu-labeled anti-phospho-MKK7 (T275/S277), Cisbio/Millipore in detection buffer), 16 h incubation at 32° C.; endpoint measurement BMG (HTRF). All indicated concentrations final concentrations. Assay buffer (384 format): 50 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT, 0.01% Triton X-100, 0.01% BSA, 1:500 Smart Block. Detection buffer: 25 mM Tris/HCl pH 7.5, 100 mM EDTA, 100 mM NaCl, 200 mM KF, 0.01% Tween 20, 1:500 Smart Block.
11660	1	Measurement of Mat2A inhibition is performed in 384 well format absorbance-based assay	Recombinant human Mat2a (12.5 nM) and serial diluted compounds in DMSO (range of concentrations from 10 &#956;M to 508 &#956;M) or controls (DMSO) are incubated for 15 minutes at room temperature (RT) in assay buffer containing 50 mM HEPES pH 7.5, 50 mM KCl, 50 mM MgCl2, 0.01% Tween 20 and 10 mM DTT. The reaction is initiated by the addition of the combined substrates ATP and Methionine, each at a final concentration of 100 &#956;M. Final assay condition are 12.5 nM Mat2A, 100 &#956;M ATP and Methionine Substrates and 2% DMSO. After 120 minutes of incubation at RT, the reaction is stopped by the addition of Biomol Green. The absorbance signal is measured at &#955;=635 nm with a multiplate reader (BMG Pherastar reader or equivalent) after 30 min of equilibration at RT.
11661	1	Biochemical Assay for GCN2	Activity of GCN2 kinase was determined using a TR-FRET kinase activity assay (e.g. Riddle et al. Analytical Biochemistry (2006) 356(1) 108-116). Assays were conducted in 384-well plates (13 &#956;L assay volume) using 2 nM GCN2 (Carna Biosciences), 130 nM GFP-EIf2&#945; (Invitrogen), 0.2 mg/mL E. coli tRNA (sigma) and 1 mM ATP in kinase buffer (Invitrogen). Inhibition of GCN2 was measured by adding serial diluted test compound (final assay concentration of 0.5% DMSO) followed by a 3-hour incubation. Tb-peIF2&#945; (pSer52) antibody (Invitrogen) (2 nM final assay concentration) in kinase buffer containing EDTA (final assay concentration of 20 mM) was added. After a 60 min incubation at room temperature, TR-FRET was monitored using an excitation wavelength of 340 nm and emission wavelengths of 490 nm and 520 nm. The emission ratio (520/490) at each compound concentration of was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
11661	2	Biochemical Assay for PERK	Activity of PERK kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;t final volume) using 10 nM PERK (from Beryllium), 0.25 mg/mL Myelin Basic Protein substrate, 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.004% (w/v) BSA, and 0.004% Triton X-100). Inhibition of PERK was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated using software routines in Prism (GraphPad software).
11662	1	Biochemical BTK Assay	Z&#8242;-LYTE biochemical assay employs a fluorescence resonance energy transfer (FRET)-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated and non-phosphorylated peptides to proteolytic cleavage. Both ends of the short peptide substrate are labeled with two fluorescent groups to form a FRET paired combination. In the primary reaction (the Kinase Reaction), the kinase transfers the &#947;-phosphate of ATP to a single serine or threonine residue on the short peptide substrate. In the secondary reaction (the development reaction), the non-phosphorylated short peptides were recognized and cleaved by a site-specific protease (the development reagent). Phosphorylated short peptides can resist such cleavage. Cleavage of short peptides can disrupt the donor (such as coumarin) and receptor fluorophores (fluorescein) on the short peptides, while the phosphorylated short peptides can maintain FRET. The calculation method of the ratio is as follows, and the ratio of the respective emission signals generated by the donor fluorophores emitted (after excitation at 400 nm) to the receptors is calculated. Emission signal ratio=emitted light by coumarin (445 nm)/emitted light by fluorescein (520 nm). If the FRET short peptide is phosphorylated (such as no kinase inhibitor), the emitted light ratio will remain in a lower level. If the FRET short peptide is non-phosphorylated (such as kinase inhibitor), the emitted light ratio will be in a higher level. In this way, the inhibitory effects of different compound inhibitors on BTK kinase activity would be distinguished.
11663	1	hSERT and rVMAT2 Fluorometric Screening Assay	For both hSERT and rVMAT2 screening experiments, respective singly transfected cells were seeded at a density of 0.09×106 cells/well in poly-D-Lysine (Alamanda Polymers, Inc.) coated white solid-bottom 96-well plates (Costar). Growth was permitted for approximately 44 hours in said aqueous media and at an incubation environment of 37° C. and 5% Carbon Dioxide. At the beginning of the experiment, the cellular growth solution was aspirated, and individual cells were rinsed with 150 &#956;L of 1×Dulbecco&#39;s Phosphate Buffered Saline (PBS; HyClone). 63 &#956;L of Experimental Media (consisting of the following contents: DMEM without phenol red but with 4.5 g/L of D-Glucose (Gibco), 1% (v/v) FBS (Atlanta Biologicals), 100 U/mL Penicillin (Gibco), and 10 &#956;g/mL Streptomycin (Gibco)) with 2×tiered concentrations of inhibitor (or DMSO, the vehicle of these experiments) were added to the respective wells. Control inhibitors used in these studies include Imipramine for hSERT experiments, and Reserpine for rVMAT2 experiments (Eiden, L. E. and Weihe, E. 2011; Sette, M. et al. 1983). At the conclusion of the pre-incubation period (60 minutes for hSERT experiments and 30 minutes for rVMAT2 experiments), 63 &#956;L of Experimental Media containing 2×various concentrations of tested inhibitor (or vehicle) along with a specified amount of fluorescent substrate, APP+ (Karpowicz, R. J. et al 2013) (final concentration: 1.1 &#956;M for hSERT experiments) or FFN206 (Hu, G. et al. 2013) (final concentration: 0.75 &#956;M for rVMAT2 experiments) were added to the present solution contained within the wells. After a required incubation period (30 minutes for hSERT experiments and 60 minutes for rVMAT2 experiments) for proper fluorescent probe uptake, the contents of each well were aspirated and consequently, rinsed twice with 120 &#956;L of PBS. A final solution of 120 &#956;L of PBS is finally added to all corresponding wells for cell maintenance before undergoing fluorescence uptake reading by a BioTek H1MF plate reader. 
11664	1	Enzyme-linked immunosorbent assays (ELISA)	Table B3: Enzyme-linked immunosorbent assays (ELISA) were performed to measure phosphorylated ERBB2 levels. A capture antibody able to detect phosphorylated and non-phosphorylated ERBB2 (R&D Systems, cat #841425) was added to ELISA plates and incubated at 4° C. overnight. The next day, plates were washed with PBS+0.05% Tween20 (PBST). 150 &#956;l of 5% BSA blocking solution was added for 1 hour at room temperature, with shaking. Plates were washed with PBST. Cell lysates were thawed and 100 &#956;l of lysate was added to the ELISA plate. The plates were incubated for 2 hours at room temperature, with shaking. ELISA plates were then washed with PBST and 100 &#956;l of an HRP-labeled detection antibody that binds phosphorylated tyrosine (R&D Systems, cat #841913) was added to each well. Plates were incubated for 1 hour at room temperature, with shaking. Plates were then washed with PBST, and 100 &#956;l TMB substrate solution (R&D Systems, cat #DY999) was added. Plate was incubated in the dark for 20 minutes at room temperature. 50 &#956;l of Stop solution (R&D Systems, cat #DY994) (50 &#956;l) was added to each well and mixed. Optical density at 450 nm was read on an EnSpire plate reader (Perkin Elmer). The remaining kinase activity by calculated using the following formula: % Relative activity=100×(A450sample&#8722;A450LC)/(A450HC&#8722;A450LC). 
11664	2	Enzyme-linked immunosorbent assays (ELISA) 	Table B4: Enzyme-linked immunosorbent assays (ELISA) were performed to measure phosphorylated EGFR levels using A431 cells (10% FBS). A431 (1.0*104cells/40 &#956;l/well) cells were seeded in 384 well. Compounds were dissolved in DMSO, serially diluted in DMSO and then were added, mixed, and incubated for 4 hours at 37° C., 500 CO2. Following the 4-hours incubation, cells were stimulated for 10 minutes with EGF (Invitrogen, cat #PHG0311) at a final concentration of 30 ng/mL in the incubator. The media was aspirated and cells were lysed in 10 &#956;L lysis buffer with protease and phosphatase inhibitors (PerkinElmer, cat #ALSU-PEGFR-A50K). The plates were placed on a shaker for 5 minutes and then incubated for 30 min at 4° C. for complete lysis. The lysate was transferred to an Optiplate (Perkin Elmer, cat #6007290). Acceptor mix (PerkinElmer, cat #ALSU-PEGFR-A50K) was prepared just before use and 5 &#956;L was dispensed to all the wells, followed by a 1.5-2 h incubation at room temperature in dark. The donor mix (PerkinElmer, cat #ALSU-PEGFR-A50K) was prepared under low light conditions prior to use and 5 &#956;l of donor mix was added to all the wells under subdued lighting or green filters. The plates were placed on a shaker for 5 min, sealed, and incubated overnight at room temperature in dark. Plates were read on the Envision (PerkinElmer) using standard AlphaLISA settings. The percentage of inhibition on EGFR phosphorylation was calculated following equation: % Inhibition=100×(LumHC&#8722;LumSample)/(LumHC&#8722;LumLC). The low and high controls (LC/HC) are generated from lysate from wells with cells treated with DMSO or 10 mM Staurosporine (BioAustralis, cat #BIA-S1086), respectively.
11665	1	FP Binding Assay	Binding of compounds with PAD4 enzyme was detected by FP assay. PAD4 enzyme was diluted to 1 uM in assay buffer (100 mM HEPES, 50 mM NaCl, 1 mM DTT, 5% Glycerol and 1 mM CHAPS) and added to wells containing various concentration of compounds or DMSO vehicle (1%) in a 384 well black plate. 10 nM of fluorescein labelled probe (JPAD-00085) was added to the plate. Assay plate was incubated for 60 minutes at room temperature before measuring FP reading at FP module (&#955;ex 485/&#955;em 535 nm) on Pherastar. IC50 was calculated using XL-fit software model 205.
11666	1	Human Cytochrome P450 Inhibition Assay	CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6, and 3A4), 0.1 M phosphate buffer pH 7.4, probe and test compound (final concentration 50, 15.8, 5, 1.58, 0.5, and 0.158 &#956;M; diluted from 10 mM stock solution to give a final DMSO concentration of 1%) were pre-incubated at 37° C. for 5 minutes. The reaction was initiated by the addition of 20 &#956;L of 10 mM NADPH in phosphate buffer. The final incubation volume was 200 &#956;L. The following control inhibitors were used for each CYP450 inhibition assay: CYP1A2: &#945;-naphthoflavone; CYP2C9: sulfaphenazole; CYP2C19: tranylcypromine; CYP2D6: quinidine; CYP3A4: ketoconazole.
11667	1	ICMT Biochemical Assay	An ICMT enzymatic assay was developed using Promega&#39;s Methyltransferase-GloTMreagents. In the assay, ICMT catalyzes the methylation of the N-Acetyl-S-farnesyl-L-cysteine by transferring a methyl group from SAM to the farnesylated cysteine and further converts the SAM to SAH. The methyltransferase activity is measured based on the amount of SAH produced from the reaction through the use of coupling enzymes that convert the SAH to ATP. The MTase-Glo detection solution then catalyzes the formation of light from ATP.For the IC50 determination, the compounds were incubated for 30 minutes with 0.04 ug/well ICMT membrane extract from Sf-9 cells. A final concentration of 2.0 &#956;M and 20 &#956;M of SAM and peptide were added and further incubated for 90 minutes at room temperature before adding the MTase Glo and detection reagent. Reaction signals were detected using microplate readers on luminescent mode (Satire Tecan). The IC50 was determined by nonlinear regression, using GraphPad Prism version, 5.03.
11668	1	Tyrosine Kinase FGFR1 Activity Assay	1. Enzyme reaction substrate &#956;Poly(Glu,Tyr)4:1 was diluted with PBS without potassium ion (10 mM sodium phosphate buffer, 150 mM NaCl, pH7.2-7.4) to 201 &#956;g/mL, an enzyme plate was coated at 125 &#956;L/well, and incubated at 37° C. for 12-16 hours. The liquid from the well was discarded. The plate was washed for three times with T-PBS (0.1% Tween-20 in potassium-free PBS, 200 &#956;L/well), 5 minutes for each time. The elisa plate was dried in 37° C. dryer for 1-2 hours.2. 49 &#956;L of ATP solution diluted in reaction buffer (50 mM HEPES pH 7.4, 50 mM MgCl2, 0.5 mM MnCl2, 0.2 mM Na3VO4, 1 mM DTT) was added into each well, and 1 &#956;L of the test compound was added to each well, and then 50 &#956;L of FGFR1 kinase domain recombinant protein diluted in reaction buffer was added to initiate the reaction, and two control wells without ATP were required for each experiment. The reaction was performed on a Shaker (100 rpm) at 37° C. for 1 hour. The liquid from the well was discarded, and the plate was washed with T-PBS for three times.3. The antibody PY99 dilution (antibody diluted 1:500 in T-PBS with BSA 5 mg/mL) was added at 100 &#956;L/well, and shaken for 0.5 hours on a 37° C. shaker. The liquid from the well was discarded, and the plate was washed with T-PBS for three times.4. The horseradish peroxidase-labeled goat anti-mouse second antibody dilution (antibody diluted 1:2000 in T-PBS with BSA 5 mg/mL) was added at 100 &#956;L/well, and shaken for 0.5 hours on a 37° C. shaker. The liquid from the well was discarded, and the plate was washed with T-PBS for three times.5. 2 mg/mL OPD coloration solution (diluted with 0.1 M citric acid-sodium citrate buffer containing 0.03% H2O2 (pH=5.4)) was added at 100 &#956;L/well, and reacted for 1-10 minutes at 25° C. in darkness.6. The reaction was quenched with 50 &#956;L/well of 2M H2SO4, and the plate was read using a tunable microplate microplate reader VERSAmax at 490 nm.
11669	1	Binding Assay	The displacement of the labeled ligand by the test compound leads to a decreased signal. For the binding experiments 200 &#956;L of membrane homogenate from one of the following protein amounts is used: hSSTR1 (40 &#956;g/well); hSSTR2 (25 &#956;g/well); hSSTR3 (1.5 &#956;g/well); hSSTR4 (0.5 &#956;g/well); hSSTR5 (25 &#956;g/well). The homogenate is incubated with 0.05 nM of radioligand ([3-125I-Tyr]-Somatostatin-(1-14)) in addition to increasing concentrations of a test compound or vehicle (100% binding) in a total volume of 250 &#956;L using a Hepes buffer (10 mM, EDTA 1 mM, MgCl2 5 mM, pH 7.6, BSA 0.5%, Bacitracin 0.003%, DMSO 1%) for 180 min at RT. The incubation is terminated by filtration with ice cold NaCl 0.9% through polyethyleneimine treated (0.3%) grade GF/B glass fiber filters using a cell harvester. The protein-bound radioactivity is measured in a suitable reader. The non-specific binding is defined as radioactivity bound in the presence of 1 &#956;M Somatostatin-14 during the incubation period. The analysis of the concentration-binding curves is performed by computer-assisted nonlinear least square curve fitting method using the model of one receptor binding site.
11670	1	In Vitro Assay	Preparation of working solution: 2×Glutaminyl Cyclase substrate was diluted in assay buffer to 5 M. 2×enzyme solution and QPCTL was diluted in assay buffer to 0.8 nM. Glutaminyl Cyclase Developer was diluted in assay buffer to 1×(containing 10 mM 1-Benzyl-Imidazole). Serial dilution of test compounds was performed in DMSO. The final DMSO concentration in 100 &#956;l reaction was 1%. The assay buffer was 50 mM Tris, pH 8.0, 0.01% BSA.Procedure: 50 &#956;L of 2×Glutaminyl Cyclase substrate solution was added into the assay plate followed by 50 &#956;L of 2×enzyme solution. The plate was centrifuged for 1 min at 1000 rmp. Next the plate was incubated for 45 minutes at 37° C. This was followed by the additional of 50 &#956;L of the prepared Glutaminyl Cyclase developer and incubated for additional 30 min at 37° C. Results were read on SpectraMax Paradigm detecting with emission at Ex/Em=490 nm/520 nm.
11671	1	Biochemical Assay	This synthesized DNA fragment was subsequently cloned into the baculovirus transfer vector, pAcSG2, between the NcoI and NotI sites. The resulting plasmid was used along with BestBac linearized Baculovirus DNA from Expression Systems (Davis, CA, USA) to transfect Sf9 cells for generating recombinant Baculovirus that expresses the His8x-Tb-ErbB2(676-775)YVMAinsert(776-1255) (referred to as HER2-YVMA (SEQ ID NO: 2)) protein. High-titer Baculovirus stock was obtained by amplifying the virus twice from the initial transfection. For HER2-YVMA (SEQ ID NO: 2) protein expression, 10 L of Sf9 cell culture grown in a Wave cellbag (Cytiva, Marlborough, MA, USA), were infected with the recombinant virus stock at multiplicity of infection ("MOI") equal to 2.5 for 68 hours. At the end of the infection period, cells were harvested by centrifugation.
11671	2	ErbB Enzyme Assay	The kinases were incubated with 250 nM TK-substrate biotin (CisBio, part of cat #62TK0PEC) at 1 mM ATP along with test compounds in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 uL. Compounds were prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After 30-minute incubation at 22 C., the reaction was quenched by adding 8 uL of quench solution containing 62.5 nM Sa-XL665 and 0.25x TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TK0PEC). After a 1-hour incubation at 22 C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor.
11672	1	ER Binding Assay	ER&#945; binding was assessed using the LanthaScreen TR-FRET ER Alpha Competitive Binding kit from ThermoFisherScientific. In this assay, a terbium-labeled anti-GST antibody was used to indirectly label GST-tagged ER Alpha-ligand binding domain (LBD) by binding to its GST tag. Competitive binding to the ER Alpha-LBD (GST) was detected by a test compound&#39;s ability to displace a fluorescent ligand (Fluormone&#153; ES2 Green tracer) from the ER Alpha-LBD (GST), which results in a loss of FRET signal between the Tb-anti-GST antibody and the tracer. Briefly, to assess ER binding of the DDC compounds, the test compounds (top dose 10 &#956;M, 4 fold serial dilution, 8 point dose response) and controls were transferred to the assay plate. The Fluormone&#153; ES2 Green tracer (3 nM final concentration with assay buffer) was added to the assay plate. This was followed by addition of a mixture of the ER Alpha-LBD (GST) and terbium anti-GST antibody. After a 2 h incubation period at room temperature, the plate was read on the Envision plate reader and the TR-FRET ratio of 520:495 emissions were calculated and used to determine the IC50 from a dose response curve of the compound.
11672	2	AR Binding Assay	To assess AR binding, test compound (top dose 10 &#956;M, 4 fold serial dilution, 8 point dose response) and control (progesterone) were transferred to the assay plate. Cytosol from LnCaP cells was added to the plate, followed by addition of radiolabeled 3H-R1881 at a final concentration of 1 nM. The plate was sealed, and the reaction was incubated at 300 rpm at 4° C. for 24 hrs. Radioligand absorption buffer (10 mM Tris-HCl, pH 7.4; 1.5 mM EDTA; 1 mM DTT; 0.25% charcoal; 0.0025% dextran) was then added to the plate, mixed, and incubated at 4° C. for 15 minutes. The plate was then centrifuged at 3000 rpm for 30 minutes at 4° C. The supernatant was transferred to the scint-tube and Tri-carb was used for scintillation counting. The data was analyzed using GraphPadPrism v5.0 and binding IC50 was determined as the concentration where 50% inhibition of radioligand binding was observed.
11672	3	GR Binding Assay	To assess GR binding, test compound (top dose 1 &#956;M, 4 fold serial dilution, 8 point dose response) and control (dexamethasone) were transferred to the assay plate. Cytosol from IM-9 cells was added to the plate, followed by addition of radiolabeled 3H-Dexamethasone at a final concentration of 1.5 nM. The plate was sealed, and the reaction was incubated at 300 rpm at 4° C. for 24 hrs. Radioligand absorption buffer (10 mM Tris-HCl, pH 7.4; 1.5 mM EDTA; 1 mM DTT; 0.25% charcoal; 0.0025% dextran) was then added to the plate, mixed, and incubated at 4° C. for 15 minutes. The plate was then centrifuged at 3000 pm for 30 minutes at 4° C. The supernatant was transferred to the scint-tube and Tri-carb was used for scintillation counting. The data was analyzed using GraphPadPrism v5.0 and binding IC50 was determined as the concentration where 50% inhibition of radioligand binding was observed.
11673	1	HPK1 Kinase Assay	HPK1 kinase activity was measured by Promega&#39;s ADP-Glo kinase assay. In this assay, 5 ng of recombinant human HPK1 (signalchem) is incubated with 5 &#956;L of compounds (0.5% DMSO), 5 &#956;L of MBP (0.5 &#956;g/&#956;l) and 5 &#956;L of ATP (25 &#956;M) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 &#956;M DTT). The assay was started by incubating the reaction mixture in a 96-well plate at 30 C. for 40 minutes. After the incubation, 25 uL ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 uL per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and SigmaPlot13.0.
11674	1	Inhibition of Activity of 5-HT7 Serotonin Receptor	For luminescence-based cAMP assay, HEK293 cells were cultured on a 150-mm dish. Prior to transfection, the culture medium was replaced from DMEM containing 10% FBS, 100 U/mL penicillin and 100 &#956;g/mL streptomycin to DMEM containing 10% dialyzed FBS, 100 U/mL penicillin and 100 &#956;g/mL streptomycin. 4 hours later, transfection was conducted using 10 &#956;g of a human 5-HT7R plasmid and 10 &#956;g of a GloSensor-22F plasmid (Promega). The transfected cells were prepared on a white, flat, clear-bottom, 384-well plate (Greiner) (15,000 cells/well, 20 &#956;L/well). 6 hours later, after removing the culture medium, the cells were treated with 20 &#956;L of a 3% Glosensor cAMP reagent containing luciferin in a 1×HBSS, 1 M HEPES, pH 7.4 buffer. In addition, the compound of each of the examples was prepared at different concentrations in an assay buffer containing 0.1% bovine serum albumin. 30 minutes later, 10 &#956;L of the compound solution was treated to the cells. After measuring luminescence using a Tecan microplate reader (Spark), IC50 value was obtained using the Prism 8.0 program (GraphPad Software).
11675	1	In-Vitro Binding Assay	In-vitro binding assays performed at Eurofins Panlabs Taiwan, Ltd. Specific ligand binding was determined in the presence of an excess of unlabelled ligand. Inhibition constants (Ki) were calculated from in vitro binding assays using the Cheng Prusoff equation (Cheng and Prusoff 1973). Source: Johnston et al, 2019 (Johnston et al. 2019) and NC20-PHARM-2. Thus, both Compound 1 and Compound 4 have high affinity to the S1R and no affinity (Ki>100) to the S2R.
11676	1	hPGDH Inhibitor Screening Biochemical Assay	The in vitro biochemical assay can be performed in white, 384 plates in total 20 &#956;l reaction volume consisting of 10 nM of 15-PGDH/HPGD (R&D System #5660-DH), 15 &#956;M Prostaglandin E2 (Sigma, Cat #P5640-10MG) and 0.25 mM &#946;-Nicotinamide adenine dinucleotide sodium salt (Sigma, Cat #N0632-5G) made in reaction buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween 20) at 10-point dose response curve for test/tool compounds. Briefly, 5 &#956;l (4×) of compounds solution and 5 &#956;l (final concentration, 10 nM) of enzyme solution is added to white 384 well plates and incubated for 10 mins at 37° C. 5 &#956;l (4×) of Prostaglandin E2 and 5 &#956;l (4×) of &#946;-Nicotinamide adenine dinucleotide sodium salt is added to the wells and incubated for 10 mins at rt. Fluorescence is recorded at ex/em=340 nm/485 nm. The percentage (%) inhibition of enzyme activity was determined relative to positive control (1% DMSO) and IC50 was calculated using GraphPad prism software (four parameter-variable slope equation).
11677	1	Homogeneous time resolved fluorescence (HTRF) 	The identified compounds were tested for their capacity to inhibit the PD-1/PD-L1 interaction using in vitro functional assays. Homogeneous time resolved fluorescence (HTRF) was used to evaluate those 94 hits identified in silico. The BMS202 inhibitor, known as a small-molecule inhibitor of PD-1/PD-L1 interaction, was used as a reference. Compounds were tested at 100 &#956;M and the determination of the inhibition levels was based on the HTRF signal reduction. Hits were defined as compounds that inhibited at least 50% of the PD-1/PD-L1 interaction. 
11678	1	AlphaScreen Assay	20 nM ofGST-tagged HCNlc40 protein (corresponding to the C terminal 40 amino acids of HCN1) was incubated with 200 nM of His-tagged TRIP8b(241-602) and varying concentrations of the test compound as described in our prior report (Han et al., 2015). After a 3 h incubation, anti-GST AlphaScreen acceptor beads were added for 1.5 h followed by AlphaScreen nickel chelate donor beads for 1.5 h. AlphaScreen signal was quantified using a PerkinElmer (Waltham, MA) EnSpire multimode plate reader
11679	1	Inhibitory Activity against 3CLPpro	The inhibitory activity of the compounds against SARS-CoV-2 3CLpro was determined by fluorescence resonance energy transfer technique. A suitable amount of the above compounds was respectively weighed, and formulated in DMSO to give solutions over suitable concentration gradients. 5 &#956;L of the formulated solution and 91 &#956;L of Assay Reagent (Assay Buffer: 2019-nCoV Mpro/3CLpro=90:1, purchased from Shanghai Beyotime Biotechnology Co., Ltd.) were added to a 96-well black plate, mixed uniformly, and incubated for 10 min at 37° C. in the dark. 4 &#956;L of Substrate (100 &#956;M Dabcyl-KTSAVLQSGFRKME-Edans, purchased from Shanghai Beyotime Biotechnology Co., Ltd.) was rapidly added to each well, and mixed uniformly. After incubation for 5 min at 37° C. in the dark, the signal gradually became stable. The fluorescence in 5-30 min was detected on a multifunctional plate reader (Thermo Fisher Technology Co., LTD., Varioskan Flash) and the inhibition percentage of the sample was calculated. The excitation wavelength was 340 nm and the emission wavelength was 490 nm. The Assay Reagent free of the compound was used as a control with 100% enzyme activity, the Assay Buffer free of SARS-CoV-2 Mpro/3CLpro was used as a blank control, and S-216722 (Shandong Xuanshuo Medical Technology Co., Ltd.) and PF-07321332 (Jinan Jianfeng Chemical Co., Ltd.) were used as positive controls. The rest of the treatment method was the same. 
11680	1	IRAK4 ADP-Glo Assay	The ADP-Glo reagents were thawed at ambient temperature. The Kinase Detection Reagent was prepared by mixing kinase detection buffer with the lyophilized kinase detection substrate, and set aside.A stock volume of 5 Reaction Kinase Buffer was made with a final concentration of 100 mM MgCl2, 200 mM Tris-HCl, and 0.5 mg/ml of BSA, in distilled H2O with a final pH7.4. A 2 working stock volume of Reaction Kinase Buffer was made containing a final concentration of 100 &#956;M DTT.The components of IRAK4 Enzyme were thawed on ice. Diluted IRAK4 in 1 Kinase Reaction Buffer (diluted from 2 buffer) was prepared at 5.0 ng/&#956;l. A 250 &#956;M working stock ATP Assay Solution was prepared in 1 Kinase Reaction Buffer (diluted from 2 buffer).The compound was diluted in DMSO from 250 &#956;M in 4-fold series dilutions for 8 points. Then diluted 1:5 in 2 Reaction Buffer in a 96 well plate. 1.0 &#956;l was transferred to a 384 well plate in duplicate. 2 &#956;l of diluted Active IRAK4 was added (do not add to column 1) and 2 reaction buffer was added to column 1. 1 &#956;l of 1 mg/ml stock solution of MBP substrate was added NOTE: MBP can be combined with ATP mix with equal volume and then added at 2 &#956;l/well. Final reaction volume was 5 &#956;l.The plate was centrifuged and the reaction mixture was incubated at room temperature for 60 minutes or at 30 C. for 30 minutes.The reaction was terminated and the remaining ATP was depleted by adding 5 &#956;l of ADP-Glo Reagent. The 384-well plate was centrifuged and then the reaction mixture was incubated for another 40 minutes at ambient temperature.
11681	1	UDP-Glo Glucosylceramide Synthase Biochemical Assay	Using Promega&#39;s UDP-Glo&#153; Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 &#956;g crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 &#956;.M; Promega), at concentrations equivalent to 2×Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction.
11682	1	Enzymatic Activity Assay	Determination of the Selectivity To demonstrate the selectivity of the substances with respect to thrombin and factor Xa inhibition, the test substances are examined for their inhibition of other human serine proteases, such as factor factor XIa, trypsin, plasmin, tissue plasminogen activator (TPA), and plasma kallikrein. The determinations are carried out in microtitre plates. To determine the enzymatic activity of factor XIa (0.15 nmol/l from Kordia), trypsin (42 mU/ml from Sigma), plasmin (0.1 &#956;g/ml from Kordia), TPA (1 nmol/l from Kordia) and plasma kallikrein (0.2 nmol/l from Loxo), these enzymes are dissolved (50 mmol/l of Tris buffer [C,C,C-tris(hydroxymethyl)aminomethane], 100 mmol/l of sodium chloride, 0.1% BSA [bovine serum albumin], 5 mmol/l of calcium chloride, pH 7.4) and incubated for 15 min with test substance in various concentrations in dimethyl sulphoxide and also with dimethyl sulphoxide without test substance. The enzymatic reaction is then started by addition of the appropriate substrates (5 &#956;mol/l of Boc-Glu(OBzl)-Ala-Arg-AMC from Bachem for factor XIa, 5 &#956;mol/l of Boc-Ile-Glu-Gly-Arg-AMC from Bachem for Trypsin, 50 &#956;mol/l of MeOSuc-Ala-Phe-Lys-AMC from Bachem for plasmin, 5 &#956;mol/l of CH3SO2-D-Phe-Gly-Arg-AMC from Pentapharm for TPA and 5 &#956;mol/l of H-Pro-Phe-Arg-AMC from Bachem for plasma kallikrein). After an incubation time of 30 min at 22° C., fluorescence is measured (excitation: 360 nm, emission: 460 nm). 
11683	1	Biochemical Assay	The JAK2 Z-Lyte biochemical assay was performed according to manufacturer&#39;s instructions (Life Technologies).
11684	1	Biochemical and Cell Activity METTL3/14 Methyltransferase Assay Biochemical Assa	The enzymatic assay was established to determine IC50 values for inhibition of RNA methyltransferase activity. The enzyme used was full-length his-tagged METTL3 co-expressed with full length FLAG-tagged METTL14 in a baculovirus expression system. Enzymatic reactions were performed at room temperature in 384-well plates using a final reaction volume of 20 &#956;L containing 20 mM TrisCl pH 7.6, 1 mM DTT, 0.01% Tween-20.5 nM final concentration of METTL3/14 was pre-incubated with various compound concentrations for 10 minutes, followed by addition of 0.2 &#956;M final concentration synthetic RNA substrate (5&#8242;P-uacacucgaucuggacuaaagcugcuc-3&#8242;) and 0.5 &#956;M final concentration S-adenosyl-methionine (SAM). The reaction was incubated for further 60 minutes at room temperature, and then quenched by the addition of 40 &#956;L 7.5% TCA with two internal product standards (D4-SAH and 13C10-SAH). After termination, plates were sealed, centrifuged and stored at 4° C. until analysis. 
11685	1	Kinase Inhibition Assay	Adapta Kinase Assay Method: Adapta universal kinase assay method is a uniform fluorescence-based immunoassay for detecting ADP. In contrast to ATP consumption assay, Adapta assay method was very sensitive to ADP formation, with most signal changes occurring when initially 10-20% ATP was converted to ADP. This made Adapta universal kinase assay method very suitable for low-activity kinases. All assays were performed at room temperature (about 21 C.) and were linearly related to time and enzyme concentration under the conditions used. 1 kinase reaction buffer was prepared from 5 kinase buffer S stock solution (listed above), and 10 mL of 1 kinase reaction buffer was prepared by the addition of 2 mL of 5 stock solution to 8 mL of H2O. To the 1 kinase reaction buffer was added 20 &#956;L of 1 M DTT. A kinase reaction was performed in a low-volume 384-well plate in a volume of 10 &#956;L. Typically, a Greiner plate was used (Catalog #3674 #, low volume, white wall, 784075). Other untreated assay plates that were not tested could also be suitable. The substrate concentration in the assay was 100 &#956;M, and the 1 kinase reaction buffer consisted of 50 mM Tris-HCl (pH 8.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35 and 2 mM DTT, as well as any other additives that could be necessary for the particular kinase. The kinase reaction was allowed to proceed for 1 h at room temperature, followed by the addition of a formulation of kinase quenching buffer (EDTA; 30 mM), Eu-labeled antibody (6 nM), and tracer (18.9 nM) in TR-FRET dilution buffer (5 &#956;L). The final concentration of the antibody in the assay wells was 2 nM, the final concentration of the tracer was 6.3 nM, and the final concentration of EDTA was 10 mM. The plate was allowed to equilibrate at room temperature for at least 30 min and then read on a plate reader configured for Adapta TR-FRET. The data provided in this document were generated by using BMG LABTECH PHERAstar plate reader and using appropriate filters and instrument settings for Adapta . 
11686	1	Biochemical Assay	Inhibitor potency was evaluated by measuring enzymatic activity of full length MALT1 at varying concentrations of compound. The enzymatic assay consists of a single substrate reaction that monitors the release of a fluorescent dye upon cleavage of the peptide substrate. The peptide substrate has the following sequence: Ac-Leu-Arg-Ser-Arg-Rh110-dPro (custom synthesis from WuXi AppTec, Shanghai, China). The assay buffer consists of 50 mM Hepes, pH 7.5, 0.8 M sodium citrate, 1 mM DTT, 0.004% tween-20, and 0.005% bovine serum albumin (BSA). Steady-state kinetic analysis of peptide substrate binding resulted in a Michaelis-Menten constant (KM) of 150 &#956;M. The assay was performed in a 384-well F-bottom polypropylene, black microplate (Greiner Bio_One, Catalog no. 781209) at 15 nM enzyme and 30 &#956;M peptide substrate. The reaction was quenched after 60 minutes with the addition of iodoacetate at a final concentration of 10 mM. Total fluorescence was measured using an Envision (PerkinElmer) with fluorescence excitation at 485 nm and emission at 520 mm.
11687	1	In Vitro Inhibition Assay	In vitro inhibition assay of cGAS activity: Add a 5 &#956;L mixture containing 10 mM Tris-Cl pH 7.5, 50 mM NaCl, 5 mM MgCl2, 1 mM DTT, 0.01% Triton X-100, 60 nM 75-bp dsDNA, 501.1M ATP, 50 &#956;M GTP, 10 nM of recombinant human cGAS, and serial dilutions of a test compound in DMSO to a 384-well plate and incubate at room temperature for 3 hours. Quench the reaction by the addition of 100 &#956;L of stop solution containing 0.1% formic acid and 0.1 &#956;M internal standard (3&#8242;3&#8242;-difluoro cGAMP). Measure the amount of cGAMP produced by RapidFire 365 mass spectrometry and evaluate inhibitory effect of a compound by plotting percent specific inhibition of cGAMP production against log concentration of the test compound. 
11688	1	hEP2 cAMP Assay	The SF295 cells (NCI/No. 0503170) are detached from culture dishes with a cell dissociation buffer (Invitrogen, 13151-014), and collected in growing medium (GM: RPMI1640 (Invitrogen 21875)/10% FCS, 1% Penicilin/streptomycin). Cells are counted washed and resuspended in assay buffer (AB; HBSS, 20 mM HEPES, 0.2% BSA; 2 mM IBMX). 4&#39;000 cells in 5 &#956;l of AB are seeded per well of a small volume 384 well plate (black with flat bottom, Greiner 784076).Stock solutions of test compounds are made at a concentration of 10 mM in DMSO, and serially diluted in DMSO to concentrations required for inhibition dose response curves (tested concentration range 30 &#956;M-0.4 nM; 30 &#956;M-0.015 nM or 1 &#956;M-0.01 nM).PGE2 (Cayman 14010, stock solution: 75 &#956;M in DMSO) is used as agonist at 75 nM final concentration, corresponding to EC80.Two point five microliters of diluted compounds are transferred into the assay plate. Plate is pre-incubated 45 minutes at RT. Subsequently, 2.5 microliters of PGE2 (final conc. 75 nM) are transferred into the assay plate. Plate is incubated 30 minutes at RT. Five &#956;l of each donor (anti-cAMP cryptate) and acceptor (cAMP-d2) are added and the plate is incubated another hour at RT in the dark and then read using a BMG LABTECH PHERAstar reader (Excitation: 337 nm, Emission: 620 and 665 nm).The obtained Delta F (fluorescence) values (665 nm/620 nM) are converted into % cAMP values using the measurements of the cAMP calibrator provided in the kit. For each compound concentration the percentage of cAMP compared to DMSO control value as average ±STDEV (each concentration is measured in duplicate) is calculated.
11688	2	hEP4 cAMP Assay	The BT549 cells (NCI/No. 0507282) are detached from culture dishes with a cell dissociation buffer (Invitrogen, 13151-014), and collected in growing medium (GM: RPMI1640 (Invitrogen 21875)/10% FCS, 1% Penicilin/streptomycin). Cells are counted washed and resuspended in assay buffer (AB; HBSS, 20 mM HEPES, 0.2% BSA; 2 mM IBMX). 4&#39;000 cells in 5 &#956;l of AB are seeded per well of a small volume 384 well plate (black with flat bottom, Greiner 784076).Stock solutions of test compounds are made at a concentration of 10 mM in DMSO, and serially diluted in DMSO to concentrations required for inhibition dose response curves (tested concentration range 30 &#956;M-0.4 nM; 30 &#956;M-0.015 nM or 1 &#956;M-0.01 nM).PGE2 (Cayman 14010, stock solution: 6 &#956;M in DMSO) is used as agonist at 6 nM final concentration, corresponding to EC80.Two point five microliters of diluted compounds are transferred into the assay plate. Plate is pre-incubated 45 minutes at RT. Subsequently, 2.5 microliters of PGE2 (final conc. 6 nM) are transferred into the assay plate. Plate is incubated 30 minutes at RT. Five &#956;l of each donor (anti-cAMP cryptate) and acceptor (cAMP-d2) are added and the plate is incubated another hour at RT in the dark and then read using a BMG LABTECH PHERAstar reader (Excitation: 337 nm, Emission: 620 and 665 nm).The obtained Delta F (fluorescence) values (665 nm/620 nM) are converted into % cAMP values using the measurements of the cAMP calibrator provided in the kit. For each compound concentration the percentage of cAMP compared to DMSO control value as average ±STDEV (each concentration is measured in duplicate) is calculated.
11689	1	ADP-Glo Kinase Biochemical Assay	The activity of the Examples and Analogs described herein, as inhibitors of BTK are demonstrated and confirmed by pharmacological in vitro assays. Activity possessed by the compounds may be demonstrated in vivo. Those skilled in the art will appreciate that a variety of assay formats may be used to determine the activity of the compounds described herein.Materials:ADP-Glo Kinase Assay (cat. V9102, 10000 tests), components:1 50 ml ADP-Glo Reagent,1 100 ml Kinase Detection Buffer,1 Kinase Detection Substrate (Lyophilized),1 5 ml Ultra Pure ATP, 10 mM1 5 ml ADP, 10 mMReagents and Plate:Tris Hcl (Sigma cat. 154563), MgCl2 (Sigma cat. M1028), MnCl2 (Sigma, M3634), BSA (Sigma cat. 05470), BTK Substrate (Signalchem, P61-58), DTT (Sigma, D0632), DMSO (Sigma, S5879), BTK enzyme. (1.5 mg/ml, purity 75%, 90 ng/ul, made in house). 384 well assay plate (cat. 3674).Assay Conditions:Enzyme concentration: 8 ng/5 ul.ATP concentration: 50 uMSubstrate (peptide) concentration: 0.2 mg/ml.Reaction buffer composition: 40 mM Tris-HCl pH7.5, 10 mM MgCl2, 2 mM MnCl2, 0.1 mg/mL BSA, 0.05 mM DTT.Test compound concentration: DMSO&#8804;0.5%.Methods:Compound Dosage Gradient Solution Preparation:A 3-fold serial dilution of test compound was made for 10 gradient points (100, 33.33, 11.11, 3.70, 1.23, 0.41, 0.14, 0.046, 0.015, 0.005 uM) in 100% DMSO. The intermediate dilution was done by adding 2 ul of diluted compound into 78 ul of assay buffer (containing 40 mM Tris Hcl, pH 7.5 10 mM MgCl2, 2 mM MnCl, 0.1 mg/mL BSA, 0.05 mM DTT), making the final compound concentration (1000, 333.33, 111.11, 37.04, 12.35, 4.12, 1.37, 0.46, 0.15, 0.05 nM) and DMSO concentration 0.5% percentage.
11690	1	Recombinant CDK8 Protein-Cyclin C Complex In Vitro	Capability of compounds of the present invention to bind to CDK8 protein was detected using LanthaScreen (ThermoFisher) assay. We detected FRET signal proportional to the amount of CDK8-bound fluorescently-labeled ligand (Tracer 236) that competes with inhibitor for ATP binding site. We carried out the measurements in a 15 &#956;l reaction volume using a 384-well plate (Corning, #CLS4513). Enzyme CDK8/Cyclin C (ThermoFisher, #PR7261B) was mixed with antibodies Anti-His-tag-Biotin (ThermoFisher, #PV6090), Streptavidin-Eu (ThermoFisher, #PV6025), the resulting mixture was added to plate wells (5 MK&#960;/well). Final concentrations of substances were as follows: CDK8/Cyclin C 5 nM, Streptavidin-Eu 3 nM, Anti-His-tag-Biotin 3 nM. Staurosporine (S4400, Sigma) was used as a reference inhibitor, and 0.1% solution of dimethyl sulphoxide (DMSO) in reaction buffer was used as a blank, the reaction buffer comprised 250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, and 0.05% Brij-35.The inhibitors and controls in question were added to corresponding wells (5 &#956;l/well). The plate was incubated at room temperature for 20 minutes. After incubating, 5 &#956;l/well of tracer solution Alexa Fluor-647 (Kinase Tracer 236, ThermoFisher, #PV5592)) was added to the wells. Final concentration of tracer was 10 nM. Reaction buffer, instead of tracer solution, was used as a negative control. The plate was incubated for 40 minutes at 25 C., TR-FRET signal was then measured according to the manufacturer&#39;s guidelines on SPARK20 plate reader (Tecan, Switzerland), and the value was converted to the amount of kinase-bound tracer. 
11691	1	TR-FRET BRD4 Binding Assay	The BRD4 bromodomain 1 and/or 2 binding activity were measured by using the Cayman BRD4 bromodomain 1 or 2 TR-FRET Assay Kit (Item. No. 600520, 600530, Ml, USA) respectively, according to the manufacturer&#39;s instructions. Briefly, compounds were serial diluted into the 1×TR-FRET Assay Buffer with no more than 8% DMSO, and the final concentration tested was distributed from 1 M to 10 uM with no more than 2% DMSO. (+)JQ-1 was used as positive control. Pre-incubate the control or compounds with the bromodomain (1 or 2) Europium Chelate in the 384-well plate for 15 min at room temperature (Protect from light). Then the reconstituted BRD4 bromodomain ligand/APC Acceptor Mixture were added to every well and incubate for 1 hr at room temperature. The plate was sealed with adhesive aluminum seal to prevent photobleaching. Then the plate was read in time-resolved format by exiting the well at 340 nm and reading emmission at 620 and 670 nm, using 100 us delay and 500 us read window. Data analysis was performed using the TR-FRET ratio which is the 670 nm emission/620 nm emission.
11692	1	Biochemical Kinase Assay	Specific Assay Method:Compound formulation: The test compounds were dissolved in DMSO to prepare a 20 mM stock solution. Before use, the compounds were diluted in DMSO to 0.1 mM, and diluted into 11 concentrations with a 3-fold gradient. When addition, diluentions of 4-fold final concentration were then made with buffer solution.Kinase assay method: After preparing the buffer, the enzyme was mixed with pre-formulated and diluted compounds of different concentrations in duplicate for each concentration, and placed at room temperature for 30 minutes. The corresponding substrate and ATP were added thereto, and reacted at room temperature for 60 minutes (both a negative and a positive control were set). After the reaction, antibody was added for detection, Envision detection was carried out after 60 minutes incubation at room temperature, and data was collected. Data analysis and fitting were made according to XLfit5 software, wherein, A represents IC50&#8804;5 nM, B represents IC50 is 5-50 nM, C represents IC50 is 50-100 nM, D represents IC50>100 nM.
11693	1	Biological Assay	The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.Standard conditions for this assay combine 300 nM [Glycerol-1,3-3H]-oleyl glycerol with human MGL from HeLa cells and test compounds for one hour, after which the reaction is filtered through activated carbon and tritium is measured in the flow through. The test compound concentration in screening mode is 10 uM, while the highest compound concentration in IC50 assays is determined empirically. MGL is the predominant hydrolase in HeLa cells/cell homogenates. 
11694	1	In Vitro Kinase Activity Assay	Inhibitors (initial concentration of 10 or 60 &#956;M, three-fold serial dilutions) were incubated with IRE1&#945;* in cleavage buffer (20 mM HEPES, 0.05% Triton X-100 (v/v), 50 mM KCl, 1 mM MgCl2, 1 mM DTT, pH 7.5) for 30 min, followed by incubation with 10 &#956;Ci [&#947;32P] ATP(3,000 Ci mmol&#8722;1, PerkinElmer) at 23 C. for 3 hours. Samples were then spotted onto glass fiber paper (Easytab-C Glass Fiber Filter Paper, Perkin Elmer) and washed in twice with 0.5% phosphoric acid and autoradiographed using a GE Typhoon FLA 9000 Imager. Blots were quantitated using ImageQuant software. The percent inhibition was quantified by setting the background (no kinase well) as 0 and standardizing to IRE1&#945;* without compound treatment (IRE1&#945;*+DMSO). Dose-response curves were fit using one-site fit logIC50 parameter using GraphPad Prism analysis software.
11695	1	ALK2 HTRF Assay	ALK2 (aa 147-end) was obtained from BPS biosciences. The enzymatic assays were conducted in white 384-well polystyrene plates in a final volume of 8 &#956;L. The inhibitors were serially diluted in DMSO and added to the plate wells prior to addition of the other reaction components. The assays were carried out at 25 C. in the assay buffer (50 mM HEPES, pH 7.0, 10% Glycerol, 0.01% Brij50, 10 mM MgCl2, 1 mM EGTA, 5 mM DTT, and 0.01% BSA), containing 50 nM LANCE Ultra ULight -DNA Topoisomerase 2-alpha peptide (Perkin Elmer TRF0130), and 3 &#956;M ATP. The final concentration of DMSO in the assay was T % and the enzyme concentration was 0.5 nM for ALK2. The reactions were allowed to proceed for 2 hr for ALK2 after which, the reaction was quenched by addition of EDTA at a final concentration of 20 mM along with 1.5 nM LANCE Ultra Europium-anti-phospho-DNA Topoisomerase 2-alpha (Thr1342) antibody (Perkin Elmer TRF0218). The reaction was incubated at 25 C. for 1 hr and read on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting percent control activity versus the log of the inhibitor concentration using the IDBS XLFit and GraphPad Prism 5.0 software.
11696	1	Determination of Enzyme Inhibition in SARS-CoV-2 3-Chymotrypsin-Like Protease (3CLP) Assay	A synthesized fluorescent substrate containing the cleavage site (indicated by the arrow, &#8595;) of SARS-CoV-2 3CLP (2-Abz-SVTLQ&#8595;SG-Tyr(NO2) R NH2) was used for the fluorescence resonance energy transfer (FRET)-based cleavage assay. The protease reaction of SARS-CoV-2 3CLP towards fluorescent substrate was performed in activity buffer (20 mM Bis Tris, pH 7.8, 1 mM DTT) at 37 C. for 10 min. The final concentration of protease used in the assay was fixed at 80 nM and the concentrations of the substrate were varied from 0.1 to 500 &#956;M. Reaction was started with the enzyme and the fluorescence signal of the Abz-SVTLQ peptide cleavage product was monitored at an emission wavelength of 420 nm with excitation at 320 nm, using an Flx800 fluorescence spectrophotometer (BioTek). Before kinetic calculations, it was verified that the proportionality between the fluorescence emitted and the amount of the substrate used in the assay was linear. The minimal concentration of the enzyme and time of reaction that gave a linear dependence of amount of generated product with time was chosen. Initial velocities in corresponding relative fluorescence units per unit of time (ARFU/s) were converted to the amount of the cleaved substrate per unit of time (M/s) by fitting to the calibration curve of free Aminobenzoyl-SVTLQ. All data are corrected for inner filter effects by an adopted literature protocol. In short, the fluorescence signal (RFU) at each substrate concentration was determined and defined as f(FRET). Then, 5 &#956;L free Aminobenzoyl-SVTLQ at final 5 &#956;M was added to each concentration and fluorescence was taken f(FRET+Aminobenzoyl-SVTLQ). 
11697	1	In Vitro Inhibitory Activity of Compound to Recombinant Human CD73 Enzyme	The test was performed using Tris-MgCl2 buffer containing 25 mM Tris (Biosharp; 77-86-1) and 25 mM MgCl2 (Nanjing Chemical Reagent Co., Ltd.; 7791-18-6). Human-CD73 (Novoprotein; C446) was diluted with Tris-MgCl2 buffer to form a stock solution (3×), which was placed in a 96-well plate according to 20 &#956;L/well to obtain a final concentration of 0.1 &#956;g/mL. The compound was diluted with Tris-MgCl2 buffer to form a stock solution (3×) of an appropriate concentration gradient, the compound solution was added to the above 96-well plate according to 20 &#956;L/well and uniformly mixed with the Human-CD73 solution, and the mixture was incubated at the room temperature for 30 min. Meanwhile, a positive reference group (without the compound) and a negative reference group (without CD73) were set. AMP (Sigma; A1752-5G) was diluted with Tris-MgCl2 buffer to form a stock solution (3×), which was added to the above 96-well plate according to 20 &#956;L/well to obtain a final concentration of 100 &#956;M, and the mixture was uniformly mixed and incubated at 37° C. for 60 min; ATP (Sigma; A7699-1G) was diluted with Tris-MgCl2 buffer to form a stock solution (7×), which was added to the above 96-well plate according to 10 &#956;L/well to obtain a final concentration of 100 &#956;M, and the mixture was uniformly mixed, incubated for 5 min, and tested by using an ATP-GLO kit (Promega; G7573).
11698	1	Evaluation of NLRP3 Inflammasome Inhibitory Activity Assay	The NLRP3 inflammasome inhibitory activity of test compounds were evaluated CM the basis of the inhibitory activity of the IL-1&#946;, production in THP1-Null cells (Product Number: thp-null, InvivoGen). Cells were maintained for culture in RPMI-1640 media containing 10% (v/v) fetal bovine serum, 25 mmol/1. RUES, 100 U/mL penicillin, 100 &#956;g/mL streptomycin, 100 &#956;g/ml normocin, and 200 &#956;g/mL hygromycin B (set at 37° C., 5% CO2/95% air). Cells were suspended with media for assay containing 0.5 &#956;mol/L PMA (RPMI-1640 media containing 10% (v/v) fetal bovine serum, 100 U/mL penicillin, and 100 &#956;g/mL streptomycin), and the suspended cells were seeded on Corning (registered trademark) 384-well Flat. Clear Bottom Black Polystyrene TC-treated Microplates (25,000 cells/25 &#956;L/well)(followed by incubation (set at 37° C., 5% CO2/95% air) overnight supernatant of the culture was removed, and thereto was added media for assay (25 UL/well) containing 1 &#956;g/mL Lipopolysaccharides (Product Number: L2654, Sigma-Aldrich (registered trademark)). Then, the culture was further incubated for 3 hours (set at 37° C., 5% CO2/91% air). The supernatant of the culture was removed. Then, a vehicle solution prepared from Opti-MEM (trademark) medium (Product Number: 31985-070, Invitrogen) was added to blank-setting wells and control-setting wells (20 &#956;L/well), followed by incubation for 15 minutes (set at 37° C., 5% CO2/91% air). A solution containing a test compound (20 &#956;L/well) was added to test compound-setting wells. Further, Opti-MEM (trademark) medium containing Nigericin (Product Number: N7143, Sigma-Aldrich (registered trademark)) was added to the control-setting wells and test compound-setting wells (5 &#956;L/well), followed by incubation for 1.5 hours (set at 37° C., 5% CO2/95% air). The final concentration of Nigericin was adjusted to be 7.5 &#956;mol/L, 5 &#956;L/well of Opti-MEM (trademark) medium was added to the blank setting wells. The supernatant of the culture was cryonically stored (set at &#8722;20° C.) until measurement of IL-1&#946;.
11699	1	Detection of Compound&#39;s Ability to Inhibit HPK1 Kinase Activity Assay	The specific operation is as follows: configure the enzymatic reaction system buffer (10 mM MOPS, pH 7.2, 5 mM &#946;-glycerol-phosphate, 10 mM MgCl2, 0.8 mM EDTA, 2 mM EGTA, 0.1 mM DTT); the test compound (1 mM the compound stock solution in DMSO) was diluted with buffer to the highest concentration of 60 uM (containing 6% DMSO), and the compound with a concentration of 60 &#956;M was initially diluted 5 times with a buffer containing 6% DMSO for a total of 8 points of gradient concentration; then dilute HPK1 kinase to 30 nM in buffer. Add 2 &#956;l of HPK1 kinase diluent to each well of a Greiner 384-well microplate (Cat. No. 784075), and add 2 &#956;l of buffer to the control well; add 1 &#956;l of the diluted compound to the reaction well after brief centrifugation, and add 1 &#956;l buffer solution containing 6% DMSO to the control well; after short centrifugation, place in a 25° C. constant temperature incubator (Shanghai Yiheng Scientific Instrument Co., Ltd., Cat. No.: LRH-150) and incubate for 20 minutes. Add 3 &#956;l of reaction substrate (10 &#956;M MBP and 20 &#956;M ATP dissolved in distilled water) to each well, briefly centrifuge and incubate in a constant temperature incubator at 25° C. for 60 min, and use ADP-Glo Kinase Assay Kit to detect the enzymatic reaction activity, ADP-Glo Kinase Assay Kit detection is carried out according to the operating instructions of the kit. Data are described using the half maximal inhibitory
11700	1	LSD1 Inhibitory Activity Assay	Experimental steps and a method: In this experiment, the in vitro inhibitory activity of the compounds of the present disclosure against LSD1 on an enzyme level was tested by using an AlphaScreen method. The experimental steps are described as follows:a) preparation of a 1× buffer:preparing a 1× buffer (improved trihydroxymethylaminomethane buffer);b) continuous dilution of the compounds:transferring the compounds of the present disclosure to a porous plate by using Echo at a final DMSO concentration of 1%;c) preparation of an enzyme solution:preparing an enzyme solution in the 1× buffer;d) preparation of a substrate solution:adding polypeptide to the 1× buffer to prepare a substrate solution;e) transferring 5 &#956;L of the enzyme solution or the 1× buffer to the porous plate;f) conducting incubation at room temperature for 15 min;g) adding 5 &#956;L of the substrate solution to each well to induce a reaction;h) conducting incubation at room temperature for 40 min;i) preparing a 1× Alphalisa buffer;j) preparation of a 1× Alphalisa buffer solution of receptors and donors:adding 15 &#956;L of a receptor and donor solution in dark light environment, and conducting incubation at room temperature for 60 min;k) reading an endpoint in an EnSpire Alpha mode; andl) data processing:calculating an inhibitory value according to an equation 1:Inh %=(Max&#8722;Signal)/(Max&#8722;Min)*100; and&#8195;&#8195;equation 1:calculating an IC50 value by using XL-Fit according to an equation 2:Y=Bottom+(Top-Bottom)/(1+(IC50/X)*HillSlope),&#8195;&#8195;equation 2:where Y indicates the inhibitory rate, and X indicates the concentration of a compound.
11701	1	In vitro DGK alpha and DGK delta Inhibition Assays	The DGK&#945; and DGK&#958; biochemical reactions were performed using His-tagged human recombinant enzymes (Signal Chem, DGK&#945;, #D21-1OBH; DGK&#958;, #D30-10H)) and DLG (Dilauroyl-sn-glycerol) lipid substrate (Signal Chem, #D430-59). ADP-Glo assay was performed using ADP-Glog&#153; kinase Assay kit (Promega, #V9104). The reactions were carried out in assay buffer containing 40 mM Tris, pH 7.5, 0.1% CHAPS, 0.1% Prionex, 40 mM NaCl, 5 mM MgCl2, 1 mM CaCl2, and 1 mM DTT. DGK&#945; reactions contained 0.1 nM DGK&#945;, 50 &#956;M ATP, and 20 &#956;M DLG. And DGKC reactions contained 0.4 nM DGK, 30 &#956;M ATP, and 20 &#956;M DLG. For compound inhibition studies, 40 nL test compound in DMSO was added to wells of white polystyrene plates in 384-well (Greiner, #784075) or 1536-well format (Greiner, #782075). Compounds were added with top concentration of 2 mM with 11 point, 3-fold dilution series. Enzyme solution (contains 2×DGK enzyme concentration in Ix assay buffer) was added to the plate in 2 &#956;L/well volume, followed by 2 &#956;L/well of substrate solution (contains 2×concentration of ATP and DLG substrate in Ix assay buffer). Plates were then centrifuged for 1 min at 1200 RPM and sealed or lidded. For 4 &#956;L reaction volume, test compounds were therefore diluted 100× to final top concentration of 20 &#956;M. After 90 minute incubation, reactions were quenched by addition of 2 &#956;L/well Promega ADP-Glo Reagent, followed by centrifugation and lidding. After 60 min incubation, 2 &#956;L/well Promega Kinase Detection Reagent was added, plates centrifuged, and incubated for 30 min. Plates were then read using Luminescence method on BMG PHERAstar FSX plate reader.
11702	1	Surface Plasmon Resonance (SPR) Assay	The direct binding kinetics of JBZ-4 to fentanyl and related analogues was thoroughly characterized by surface plasmon resonance (SPR) single cycle kinetics in which the antibody was immobilized by amide coupling to the sensor chip surface and various dilutions of compound (40, 20, 10, 5, 2.5 nM) were flowed across the sensor.
11703	1	p38 Inhibitory Potency Assay	Inhibition of MK2 and PRAK by Compound (P)-I and (M)-I, respectively, was investigated to understand selectivity of Compound (P)-I and/or Compound (M)-I in reducing inflammatory response. Compound (P)-I and (M)-I were evaluated in enzyme assays that compared inhibitor potency in blocking p38/MK2 versus p38/PRAK-induced phosphorylation of an HSP-27-derived peptide substrate. The ability of Compound (P)-I and (M)-I to inhibit activated phospho-p38&#945; was evaluated using a p38&#945;/MK2 and a p38&#945;/PRAK cascade assay format. The kinase activity of p38&#945; was determined by its ability to phosphorylate GST-MK2 or GST-PRAK. Activation of MK2 or PRAK by p38&#945; was quantitated by measuring the phosphorylation of a fluorescently-labeled, MK2/PRAK specific peptide substrate, Hsp27 peptide. The phosphorylation of the Hsp27 peptide was quantified using IMAP technology (Molecular Devices, Sunnyvale CA). Kinase reactions were carried out in a 384-well plate (Greiner, 781280) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.01% Triton X-100, 0.01% BSA, 1 mM DTT, and 2% DMSO. The concentration of inhibitor in the assays was varied between 0.02 nM to 30,000 nM, while the Hsp27 peptide substrate and MgATP were held constant at 1 &#956;M and 10 &#956;M, respectively. Activated p38&#945; was added to a final concentration of 30 pM for reactions with non-phosphorylated 1 nM GST-MK2 in the cascade reaction. For the p38&#945;/PRAK cascade, the concentration of non-activated GST-PRAK was held constant at 10 nM while p38&#945; was added to a final concentration of 200 pM. Kinase reactions were incubated at room temperature and quenched after 120 minutes by the addition of IMAP Binding Solution. Under these conditions, approximately 20% of the substrate Hsp27 peptide was phosphorylated. Reactions were initiated by the addition of activated p38&#945; except for pre-incubation experiments, where reactions were initiated by the addition of Hsp27 peptide and MgATP. Pre-incubation of p38&#945; with inhibitor or p38&#945; with non-activated GST-MK2 or non-activated GST-PRAK and inhibitor were performed at 2× final assay concentrations at room temperature 240 minutes prior to adding ATP and Hsp27 peptide to initiate catalysis. 
11704	1	Inhibitory Activity Assay	Table 5: The IC50 value was calculated via a regression analysis of the inhibition rate (%) measured from the intensity of the luminescence at each concentration and the test compound concentration (logarithmic value), wherein the intensity of the group with an enzyme added without a compound was set as 100%, and the intensity without an enzyme nor a compound was set as 0%.
11704	2	DGK&#945; Biochemical Activity Assay	Table 6: Alternatively, the enzymatic activity of human DGK&#945; was monitored in a biochemical assay in the presence or absence of compounds and using micelles containing 18:1 Diacylglycerol (DAG), 16:0-18:1 PS (POPS) and Octylglucoside as substrate. DGK&#945; activity led to conversion of DAG and ATP to Phosphatidic Acid (PA) and ADP. Levels of ADP were monitored by bioluminescence using the ADP-Glo Kinase Assay (Promega) and were indicative of DGK&#945; activity.Ten nanoliters of test compound dissolved in DMSO at various concentrations were dispensed into a 384-well low volume nonbinding service white plates (Corning #3824) using a Labcyte Echo instrument. Recombinant DGK&#945; (Carna Biosciences) in assay buffer (5 &#956;L in 50 mM MOPS [3-(N-morpholino) propanesulfonic acid], pH 7.2; 0.0025% Triton X-100; 1 mM dithiothreitol; 5 mM MgCl2, 200 &#956;M ATP) was added to the compound-containing plate and was incubated for 15 minutes at 25° C. A substrate solution (5 &#956;L in 1.7 mM 1,2-dioleoyl-sn-glycerol [18:1 DAG], 13.5 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine [16:0-18:1 PS](POPS), 2 &#956;M CaCl2, 100 mM Octylglucoside (OG), 1 mM DTT) (obtained from Carna Biosciences) diluted in DGK ALPHA assay buffer was then added to start the reaction. Final concentrations were 1 nM DGK&#945;, 100 &#956;M ATP, 1 &#956;M calcium chloride, 0.85 mM 1,2-dioleoyl-sn-glycerol (18:1 DAG), 6.75 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (16:0-18:1 PS) (POPS), 1 &#956;M CaCl2, 50 mM Octylglucoside (OG) and 5 mM MgCl2. The reaction mixture was incubated at 25° C. for 1 hour. ADP-Glo Reagent (10 &#956;L, 10 mM Mg added) provided by the kit was added to each well and incubated at 25° C. for 40 minutes. Then, 20 &#956;L of Kinase Detection Reagent was added and incubated at 25° C. for 40 minutes. Luciferase activity of each well was measured via luminescence on an Envision plate reader (PerkinElmer).
11705	1	In Vitro USP30 Biochemical Assay	In vitro biochemical assay to establish the potency of compounds for USP30 inhibition: a 384-well plate assay using a fluorophore tagged substrate of USP30 was used for in vitro screening of compounds. Each compound was tested at 10 different concentrations (0.5 to 10,000 nM) in duplicate wells. Compounds were pre-incubated at 25° C. for 30 min in an assay buffer consisting of 20 mM Tris/HCl, pH8.0, 1 mM GSH, 0.01% Triton X-100, 0.03% BGG and 1.5 nM recombinant USP30 (amino acids 57-517 of the human sequence with a C-terminal 6-His tag). Following the pre-incubation, Ubiquitin-Rhodamine substrate dissolved in the assay buffer was added at the final concentration of 25 nM to each well and plates were incubated at 25° C. for an additional 75 minutes. The reaction was stopped by adding 10 mM citric acid and fluorescence was read using excitation wavelength 485 nm, emission of 535 nm. Data were analyzed using Graph Pad Prism software with a four-parameter (floating slope) fit to log concentration data to determine IC50s.
11706	1	TRPV1 Inhibition Assay	Assay buffer preparation: 1 HBSS, 2 mM HEPES, 0.1% BSA plus 2.5 mM freshly prepared probenecid (Invitrogen, #P36400). 25 &#956;l/well assay buffer in 384 well clear plate (cat #782281, Greiner Bio-one) was dispensed with buffer distributor (Multidrop ComB1 from Thermo Scientific). The compounds were in 384 Echo plate (cat #LPL0200, Labcyte) and the starting concentration of compound was 10 mM, then 1 to 3 serial dilution in 100% DMSO, 8 ul/well). 125 nl compounds was transferred to the 384 well plate containing 25 &#956;l/well buffer with Echo 555 Liquid Handler (Labcyte), such that the compound concentration was 5 fold of final concentration. The plate was shook slowly at 40 rpm/min for 10 min to mix. 10 &#956;l of 5 fold compound in the buffer was transferred to the cell plate (containing 20 &#956;l cells and 20 &#956;l dye) using Vertical Pipetting Station 384ST (Agilent Technologies). Six fold of final concentration of NADA (N-arachidonyl dopamine, cat #A8848, Sigma) in the assay buffer was prepared and 30 &#956;l/well was distributed in 384 well clear plate.
11707	1	Enzymatic Activity of Human Glutaminyl Cyclase In Vitro	The glutaminyl cyclase activity at various concentrations of Compounds I-X has been studied at 25 C. with the use of a fluorescent substrate L-glutaminyl 2-naphthyl amide (Gln-bNA) (Anal Biochem. 2002 Apr. 1; 303(1):49-56). The reaction mixture having a volume of 100-&#956;l has contained 50 &#956;M of fluorogenic substrate; 0.2 units of human pyroglutaminyl aminopeptidase (1 unit is defined as an amount hydrolyzing 1 micromole of pGlu-bNA per minute), and an aliquot of the recombinant intracellular human glutaminyl cyclase (gQC) in 50 mM trisaminomethane-HCl and 5% glycerol, a pH is 8.0. The reaction was initiated by adding to the reaction mixture an aliquot of glutaminyl cyclase incubated with Compounds I-X for 5 minutes.
11708	1	Mu-Opioid Receptor Binding Assay	Radioligand dose-displacement binding assays for &#956;-opioid receptors can use 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, CT), with 5 mg membrane protein/well in a final volume of 500 &#956;l binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions are carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions are conducted in 96-deep well polypropylene plates for 2 hours at room temperature. Binding reactions are terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, CT), presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Perkin Elmer, Shelton, CT) followed by performing three filtration washes with 500 &#956;l of ice-cold binding buffer. Filter plates are subsequently dried at 50 C. for 2-3 hours. BetaScint scintillation cocktail (Perkin Elmer, Shelton, CT) is added (50 &#956;l/well), and plates are counted using a Packard Top-Count for 1 min/well. The data are analyzed using the one-site competition curve fitting functions in GraphPad PRISM v. 3.0 or higher (San Diego, Calif.), or an in-house function for one-site competition curve-fitting. Data are expressed as mean S.E.M. The results are represented as inhibition constants, Ki values (the concentration of a compound that produces half maximal inhibition).
11709	1	Inhibition of Arginase	Inhibition of arginase I (ARG I) and arginase II (ARGG II) novel compounds is followed spectrophotometrically at 530 nm. The compound to be tested is dissolved in H2O and prepared 100 mM stock solution. 10 &#956;l of the stock solution is diluted in 90 &#956;l of the assay buffer that comprises 0.1M sodium phosphate buffer containing 130 mM NaCl, pH 7.4, to which is added ovalbumin (OVA) at a concentration of 1 mg/mi. Solutions of arginase I and II are prepared in 100 mM sodium phosphate buffer, pH 7.4 containing 1 mg/ml OVA to give an arginase stock solution at a final concentration of 100 ng/ml. To each well of a 96-well microtiter plate is add 40 &#956;l of enzyme, 10 &#956;l of an inventive compound and 10 &#956;l of enzyme substrate (L-arginine+manganese sulfate). For wells that are used as positive controls, only the enzyme and its substrate are added, while wells used as negative controls contain only manganese sulfate. After incubating the microtiter plate at 37° C. for 60 minutes, 150 &#956;l of a urea reagent obtained by combining equal proportions (1:1) of reagents A and B is added to each well of the microtiter plate to stop the reaction. The urea reagent is made just before use by combining Reagent A (10 mM o-phthaldialdehyde, and 0.4% polyoxyethylene (23) lauryl ether (w/v) in 1.8 M sulfuric acid) with Reagent B (1.3 mM primaquinone diphosphate, 0.4% polyoxyethylene (23) lauryl ether (w/v), 130 mM boric acid in 3.6 M sulfuric acid). After quenching the reaction mixture, the microtiter plate is allowed to stand for an additional 10 minutes at room temperature to allow color development. T
11710	1	In Vitro DGAT2 Assay	For determination of IC50 values, the reactions were carried out in 384-well white polypropylene plates (Nunc) in a total volume of 20 &#956;L. To 1 &#956;L of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 &#956;L of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical, dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 &#956;L of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 &#956;L of substrates containing 30 &#956;M [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 &#956;M 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 &#956;L of 1% H3PO4. After the addition of 45 &#956;L MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, CA). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.
11711	1	hFAP Inhibition Assay	Table 1A: Compounds were tested in a biochemical inhibition assay using hFAP enzyme at 0.24 nM FAC (Proteros, 38-760 (PR-0071)) and the substrate Ala-Pro-AMC (ARI-3144) at 20 &#956;M FAC. 384 low volume black plates (Greiner #784076) were used. 4 &#956;L, 0.48 nM enzyme solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to 40 nL compounds (in DMSO) at 10 CR, 3-fold dilution series from 50 &#956;M FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 40 &#956;M substrate solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 30 min at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener .
11711	2	hFAP Inhibition Assay (Tight Binders)	Table 1A: Compounds were tested in a biochemical inhibition assay using human Fibroblast activation protein alpha (hFAP) enzyme at 2.4 &#956;M FAC (Proteros, 38-760 (PR-0071) and the substrate Ala-Pro-AMC (ARI-3144) at 20 &#956;M FAC. 384 low volume black plates (Greiner #784076) were used. 4 &#956;L, 4.8 &#956;M enzyme solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to 40 nL compounds (in DMSO) at 10 CR, 3-fold dilution series from 50 nM FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 40 &#956;M substrate solution (100 mM Tris HCl, 100 mM NaCl, 0.05% Chaps, pH 7.4) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 2.5 h at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. Data were analyzed in Genedata Screener . IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 0.5% DMSO as 0% control and Reference Compound A.
11711	3	hFAP Binding Assay	Table 1B: Compounds were tested in a direct binding assay using 8K surface plasmon resonance biosensor (GE Healthcare) at 20° C. Immobilization of hFAP (M39-A757) on a CMD200M sensor chip (Xantec) was performed using standard amine coupling procedure in immobilization buffer (10 mM HEPES, 150 mM NaCl, 0.05% Tween20, pH 7.4). The surface was washed with 10 mM NaOH, 1M NaCl before being activated with EDC/NHS (GE Healthcare), followed by immobilization of hFAP (in 10 mM Acetate pH 5.0). Finally, the surface was deactivated by ethanolamine. Immobilization levels of hFAP were around 4000-6000 RU. The reference spot was treated as described, omitting the injection of hFAP. Compound concentration series were injected over the immobilized protein in increasing concentrations (2-500 nM) using single cycle kinetics in running buffer (20 mM TRIS, 150 mM NaCl, 0.05% Tween20, 1% DMSO, pH 7.4). Interaction models were fitted globally to the experimental traces, enabling determination of kon, koff and Kd.
11711	4	hPrep Inhibition Assay	Table 3: Compounds were tested in a biochemical inhibition assay using Prolyl endopeptidase, Prolyl Oligopeptidase (hPREP) enzyme at 0.6 nM FAC (R&D Systems, 4308-SE) and the substrate Z-Gly-Pro-amino-methylcoumarin (Bachem, I-1145) at 50 &#956;M FAC. 384 Low volume black plates (Greiner #784076) were used. 4 &#956;L, 1.2 nM enzyme solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to 40 nL compounds (in DMSO) at 10 CR, 3-fold dilution series from 50 &#956;M FAC. Plates were incubated for 15 min at rt in dark. 4 &#956;L, 100 &#956;M substrate solution (25 mM Tris HCl, 250 mM NaCl, 0.01% Triton X-100, 5 mM Glutathione, pH 7.5) was added to each well. Plates were centrifuged at 1000 rpm and incubated for 20 min at rt in dark. The plates were read on a PHERAstar reader with excitation 340 nm and emission 460 nm. D
11711	5	hDPP7 Inhibition Assay	Table 4: Compounds were tested in a biochemical inhibition assay using human dipeptidylpeptidase 7 (hDPP7) enzyme (BPS Bioscience, #80070) and the substrate Ala-Pro-amino-methylcoumarin (BPS Bioscience, #80305) at 10 &#956;M FAC. The enzymatic reactions were conducted in duplicate at rt for 20 min in 50 &#956;L assay buffer (10 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM MnCl2). Compound solutions (in DMSO) at 10 CR, 3-fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the highest compound concentration was 10 &#956;M FAC and the concentration of DMSO was 1% in all wells. The plates were read on a PHERAstarPLUS (BMG) using kinetic mode with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism. Raw data signals were normalized using 1% DMSO as 0% control and no enzyme as 100% inhibitor control.
11711	6	hDPP9 Inhibition Assay	Table 4: Compounds were tested in a biochemical inhibition assay using human dipeptidylpeptidase 9 (hDPP9) enzyme (R&D, #5419-SE-010) and the substrate Gly-Pro-amino-methylcoumarin (Enzo #BML-P189-0005) at 10 &#956;M FAC. The enzymatic reactions were conducted in duplicate at rt for 30 min in 50 &#956;L assay buffer (50 mM Tris, pH 7.5, 0.1% BSA). Compound solutions (in DMSO) at 10 CR, 3-fold dilution series were prepared in assay buffer ten-fold higher than the final concentration, and 5 &#956;L of the dilution was added to a 50 &#956;L reaction so that the highest compound concentration was 10 &#956;M FAC and the concentration of DMSO was 1% in all wells. The plates were read on a PHERAstarPLUS (BMG) using kinetic mode with excitation 340 nm and emission 460 nm. Data were analyzed in Graph Pad Prism. IC50 values were determined by plotting % inhibition versus log compound concentration and using a one site dose response model. Raw data signals were normalized using 1% DMSO as 0% control and no enzyme as 100% inhibitor control. 
11712	1	Kinase Assay	The kinase activity of BTK (C481S) was assayed at Reaction Biology Corporation. The substrate in the BTK (C481S) reaction, pEY (poly[Glu:Tyr] (4:1)) (Sigma, Cat. #P7244-250MG), was prepared in fresh reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). BTK(C481S) (SignalChem, Cat. #B10-12CH) was delivered into the substrate solution and mixed gently. The final concentrations of BTK (C481S) and the substrate in the reaction mixture were 6 nM and 0.2 mg/ml, respectively. Compounds were tested in 10-point concentration/response mode with 3-fold serial dilution steps starting at 1 &#956;M. Compounds in 100% DMSO were delivered into the kinase reaction mixture by acoustic liquid delivery technology (Echo550; nanoliter range) and incubated for 20 min at room temperature. 10 &#956;M [33P]-ATP (ATP: Sigma, Cat #: A7699; [33P]-ATP: Hartmann Analytic, Cat #: SCF-301-12) was delivered into the reaction mixture to initiate the reaction. The mixture was incubated for 120 min at room temperature. Radioactivity was detected utilizing a proprietary filter-binding method. 
11713	1	CDK2/Cyclin E1 HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays were conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) was incubated with the compounds of the Examples (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight-labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions were stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals were read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data was analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound.
11714	1	RET Enzyme Assay	Compounds of Formula I were screened for their ability to inhibit wildtype and V804M mutant RET kinase using CisBio&#39;s HTRF KinEASE -TK assay technology. Briefly, N-terminal GST tagged recombinant human RET cytoplasmic domain (aa 658-end) from Eurofins (0.25 nM RET; Catalog No. 14-570M) or N-terminal GST tagged recombinant human V804M mutant RET cytoplasmic domain (aa 658-end) from Millipore (0.25 nM enzyme; Catalog No. 14-760) was incubated with 250 nM TK-substrate biotin (CisBio, part of Catalog No. 62TK0PEC) and 1 mM ATP along with test compound in a buffer consisting of 25 mM HEPES pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 &#956;L. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 30-minute incubation at 22 C., the reaction was quenched by adding 8 &#956;L of quench solution containing 31.25 nM Sa-XL665 and 1 TK-ab-Cryptate in HTRF detection buffer (all from CisBio, part of Cat. No. 62TK0PEC). After a 1 hour incubation at 22 C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using pre-quenched control reactions.
11715	1	Kinase Inhibition Activity Assay	LANCE (Lanthanide Chelate Excite) Eu time-resolved fluorescence resonance energy transfer (TR-FRET) kinase assay (PerkinElmer) was performed in 384-well OptiPlates (Corning) using recombinant RSK2 kinase (CarnaBio), ULight -phospho-40S ribosomal protein S6 (Ser235/236) peptide substrate (PerkinElmer), and ATP (Sigma) according to the supplier protocols. All reagents were prepared in kinase buffer containing 2 mM DTT, 50 mM HEPES, 1 mM EGTA, 10 mM MgCl2, 0.01% Tween 20, pH 7.5. Inhibitor solutions were prepared such that the final DMSO concentration did not exceed 0.5%, which was shown to have no impact on kinase activity. RSK2 was used at a final concentration of 500 &#956;M. ULight -rpS6 substrate was used at a final concentration of 250 nM and ATP was administered at a final concentration of 3 &#956;M. Assays were performed at 25 C. in a reaction mixture consisting of 2 &#956;L serially diluted inhibitor solution, 4 &#956;L kinase, 2 &#956;L substrate, and 2 &#956;L ATP. Reagents were incubated at room temperature for 1 h before the reaction was stopped through the addition of 5 &#956;L of EDTA at a final concentration of 10 mM. After a 5 min incubation period, 5 &#956;L of Eu anti-phospho-40S Ribosomal Protein S6 (Ser235/236) antibody (PerkinElmer) at a final concentration of 2 nM was added. The plate was read using a Biotek Synergy H1 Hybrid plate reader (Excitation=340 nm; Substrate emission=665 nm; Antibody emission=615 nm; Delay=100 &#956;s; Integration=200 &#956;s). Emission ratios (665 nm/615 nm) were calculated for each well and half-maximal inhibitory concentrations (IC50) were determined for each inhibitor through non-linear regression analysis of the log dose-response curves.
11716	1	n Vitro Biochemical Test of Inhibiting SARM1 Enzyme Activity Assay	First, 200 &#956;M of the compound was added to a 50 mM Tris-HCl (pH 7.5) solution containing 0.05 &#956;g/ml dN-SARM1. Then half of the mixture was added to an equal volume of 50 mM Tris-HCl (pH 7.5) solution containing 0.05 &#956;g/ml dN-SARM1 (pH 7.5) for mixing. The drug was diluted 6 times by analogy to final concentrations of 200, 100, 50, 25, 12.5, 6.25, 3.125 &#956;M, or 200, 50, 12.5, 3.125, 0.78, 0.195, 0.049 &#956;M. The solution without addition of inhibitor was control group. The above solutions were incubated at room temperature for 10 min. Then 50 &#956;M NAD, 50 &#956;M PC6 as substrate and 50 &#956;M NMN as activator were added to the dN-SARM1 protein incubated with inhibitor for 30 min of reaction at room temperature. The concentration of each component was the final concentration in the reaction system.During the reaction process, PC6 fluorescence spectrum kinetics was detected by a microplate reader at an excitation wavelength and an emission wavelength of 390 nm and 520 nm, respectively. Finally, the activity of the protein was denoted by the reaction rate, and the half-inhibition concentration was calculated. The higher the reaction rate, the stronger the protein activity, and the lower the inhibition efficiency of the compound.
11717	1	In-Vitro Binding Assay	In-vitro binding assays performed at Eurofins Panlabs Taiwan, Ltd. Specific ligand binding was determined in the presence of an excess of unlabelled ligand. Inhibition constants (Ki) were calculated from in vitro binding assays using the Cheng Prusoff equation (Cheng and Prusoff 1973).
11718	1	Homogeneous Time-Resolved Fluorescence Assay	Homogeneous time-resolved fluorescence (HTRF) assays were performed in black, half-area, flat bottom, 96-well microplates (Costar #3694). Human mitochondrial LysRS with a C-terminal HA-tag (mLysRS-HA), diluted in HTRF buffer (10 mM Tris-HCl pH 7.5, 50 mM NaCl, 10 mM 2-mercaptoethanol, BSA at 1 mg/ml) was added (20 &#956;l at a dimer concentration of 3.75 nM) in the wells of microplates placed on ice. Compounds of formula I or II (1 &#956;l of a 10 mM solution in DMSO) were then added to the wells, and mixing was achieved by pipetting up and down 3-times 10 &#956;l. After centrifugation at 900 g for 1 min at 4° C., plates were placed at 4° C. on thermal modules of an epMotion 5075 v automated pipetting system (Eppendorf). A 10 &#956;l sample of IN-H6 diluted in HTRF buffer at a dimer concentration of 250 nM was added and mixing was achieved by pipetting up and down 3-times 15 &#956;l. Incubation was conducted at 4° C. for 1 h. A 10 &#956;l aliquot of a mix of antibodies prepared in HTRF buffer, directed to the His-tag, conjugated with Eu3+ cryptate (Cisbio #61HISKLB, 0.125 &#956;l per test, prepared as recommended by the supplier), and to the HA-tag, conjugated with XL665 (Cisbio #610HAXLB, 0.375 &#956;l per test, prepared as recommended by the supplier), was added and mixing was achieved by pipetting up and down 3-times 15 &#956;l. Incubation was conducted at 4° C. for 30 min.
11719	1	PSMA inhibitory Activity Assay	This test example is used to display the results of the PSMA inhibitory activity tested for each compound and comparative compound. A LNCaP cell lysate (total protein concentration: 125 &#956;g/mL) was prepared in advance. 25 &#956;L of the cell lysate, 25 &#956;L of the inhibitor and 25 &#956;L of N-acetylaspartylglutamate (NAAG, 16 &#956;M) were incubated together in a 96-well plate (Costar Assay Plate, Cat#. 3925) at 37° C. for 180 min. The amount of glutamate released by hydrolysis of NAAG was measured using an Amplex Red Glutamic Acid Kit (Molecular Probes Inc., Eugene, OR) working solution (50 &#956;L) after incubation for 30 min Fluorescence were measured using Synergy H1 Hybrid Reader (BioTek Instruments, Inc., Winooski, Vermont) at excitation wavelength of 530 nm and emission wavelength of 590 nm. An inhibition curve was plotted by a semi-logarithmic method. ICso values were calculated as the inhibitor concentration at which the enzyme activity was inhibited to 50%.
11720	1	Enzyme Activity Assay of CDK9 Protein Inhibition In Vitro	The DMSO diluted compounds and the control compounds Dinaciclib, JSH-009, BAY-1211152, AZD4573 (all purchased from MCE, China) were mixed with the detected CDK9/CyclinT1 protein (Invitrogen, U.S.), CDK9-L156F mut/CyclinT1 mutant protein (this mutation is consistent with the mutation in HepG2 KI C20-1, which was constructed as described in Example 108), and incubated at room temperature for 30 minutes; Kinase Peptide Substrate Mixture (Invitrogen, U.S.) and 4×ATP were added for mixing, and the mixing system was transferred to a 384-well white opaque plate for reaction at room temperature for 1 hour; 5 &#956;L Development Solution (Invitrogen, U.S.) was added and reacted at room temperature for 1 hour, and finally Stop Agent (Invitrogen, U.S.) was added to terminate the reaction; the fluorescence value was read using MD SpectraMax I3X microplate (Molecular Devices, U.S.). The IC50 values of the compounds of the invention on the tested CDK9/CyclinT1 protein and CDK9 mutant protein CDK9-L156F mut/CyclinT1 were calculated by plotting using Prism 5.0 (GraphPad Software, San Diego, CA) based on the read fluorescence value, which were shown in Table 5 and Table 6.
11721	1	Inhibitory Activity Assay	The inhibitory activity (IC50) of the amide compound for JAK1 and JAK2 under 1 mM ATP was measured by a mobility shift assay method. JAK1 was purchased from Carna Corporation (Cat. No. 08-144, Lot No. 11CBS-0144V) and JAK2 was purchased from Carna Corporation (Cat. No. 08-045, Lot No. 10CBS-0289R). JAK1 Peptide was purchased from GL (Cat. No. 758318, Lot No. P191104-TL758318) and Kinase substrate22 was purchased from GL (Cat. No. 112393, Lot No. P200403-CL112393). The positive control compound used was baricitinib. Specific steps are described below.1. A 1× Kinase buffer was formulated.2. Concentration gradients of the compound were formulated: a test compound with an initial concentration of 10000 nM (JAK1) or 30000 nM (JAK2) was diluted in a 384-well plate to a 100% DMSO solution with a 100-fold final concentration, wherein the compound was diluted by a fold of 3 to 10 concentrations. 250 nL of the compound with the 100-fold final concentration was transferred with a dispenser Echo 550 to the target plate.3. A kinase solution with a 2.5-fold final concentration was prepared with the 1× Kinase buffer.4. 10 &#956;L of the kinase solution with the 2.5-fold final concentration was added to compound wells and positive control wells, separately; and 10 &#956;L of 1× Kinase buffer was added to negative control wells.5. The plate was centrifuged at 1000 rpm for 30 s, shaken and uniformly mixed, and incubated for 10 min at room temperature.6. A mixed solution of ATP (the final concentration of ATP=1 mM) and Kinase substrate with a 5/3-fold final concentration was formulated with the 1× Kinase buffer.7. 15 &#956;L of the mixed solution of ATP and the substrate with the 5/3-fold final concentration was added to initiate the reaction.8. The 384-well plate was centrifuged at 1000 rpm for 30 s, shaken and uniformly mixed, and incubated for respective times at room temperature.9. The kinase reaction was stopped by adding 30 &#956;L of a detection termination solution, and the plate was centrifuged at 1000 rpm for 30 s and shaken and uniformly mixed.10. The conversion rate was read with Caliper EZ Reader and the half maximal inhibitory concentration (IC50) was calculated. 
11722	1	Adenosine Receptor Binding Assay	Radioligand-binding assays were performed using the adenosine A3 receptor agonist [125I]-AB-MECA and the A1 receptor agonist [3H]CCPA. Binding assays were conducted in a total volume of 100 &#956;L containing a 50 mM Tris, pH 7.4 buffer with or without 10 mM MgCl2, 20 &#956;g membranes and either 0.15 nM [125I]-AB-MECA (for the A3 receptor) or 1 nM [3H]CCPA (for the A1 receptor). Assays were conducted at room temperature for 60 min (A1 receptor) or 120 min (A3 receptor) and terminated by the addition of 2 ml of ice-cold wash buffer (50 mM Tris, pH 7.4 with or without 10 mM MgCl2) and rapid filtration over 0.03% polyethylenimine-treated Whatman GF/C filters using a Brandel cell harvester (Semat International Ltd., St Albans, UK). Filters were then washed three times with 2 ml of ice-cold buffer. The filter-bound radioactivity were counted using a Compugamma counter (LKB Wallac, Turku, Finland). Competition experiments were performed to investigate the ability of reference compounds and embodiments of the invention to inhibit [125I]-AB-MECA binding. Non-specific binding were determined using the respective compound at its highest concentration
11723	1	Potential Inhibitory Effect on Voltage-Gated Potassium Channel hERG by Fluorescence Polarization Technique	In this experiment, IC50 was calculated by detecting the effect of compounds at 8 concentrations on the current of the hERG channel. The procedures were performed exactly as for Predictor hERG fluorescence polarization assay kit. Before measuring fluorescence polarization, the assay plate was covered to protect the reagents from light and evaporation, and after incubation at room temperature for 2-4 h, the sample plate was centrifuged to read the fluorescence polarization value, with the excitation light at 540 nm and the emission light at 573 nm. The data showed that the cardiotoxicity of the compounds of the present disclosure was significantly lower than that of the marketed drug midazolam.
11724	1	17&#946;-HSD13 Rapid-Fire Mass Spectrometry Assay	Recombinant human 17&#946;-HSD13 was expressed and purified from sf9 cells at Charles River Labs (Saffron Walden, UK). Leukotriene B4 (Catalog #71160-24-2) and 12-oxoleukotriene B4 (Catalog #20140) were purchased from Cayman Chemicals (Ann Arbor, MI). NAD+ (Catalog #N8285), BSA (Catalog #A7030), DMSO (Catalog #D2650), and Tween-20 (Catalog #11332465001) were purchased from Sigma (St. Louis, MO). Formic acid (Catalog #28905) was from ThermoFisher Scientific and 384 deep well PP microplates (Catalog #784261) were from Greiner Bio-One. In a typical IC50 assay performed in a 384w PP microplate, test compounds (0-100 &#956;M) were incubated with HSD17B13 (80 nM), LTB4 (10 &#956;M), and NAD+ (0.5 mM) in 10 &#956;L assay buffer (20 mM Tris (pH 7.5), BSA (0.005%), and Tween-20 (0.01%)) at RT for 3 h. The assays were quenched by adding 20 &#956;L of 0.15% aqueous formic acid and the plates were frozen at &#8722;80° C. RF/MS analysis was performed at PureHoney Technologies (Billerica, MA) on a RapidFire RF300 system (Agilent Technologies, Inc.) coupled to an API 4000 triple quadrupole mass spectrometer (Sciex) equipped with Agilent RapidFire cartridge type A (C4). The mobile phase was 0.09% formic acid and 0.01% trifluoracetic acid in water (Buffer A) and 0.09% formic acid and 0.01% trifluoracetic acid in 80% aqueous acetonitrile (Buffer B). The RapidFire method conditions were the following: 250 ms aspirate, 3000 ms load/desalt, 4000 ms elute, and 500 ms re-equilibrate. RF-MS/MS was performed in negative polarity (&#8722;4500 V), the source temperature was 650° C., and gas 1 and gas 2 settings for nitrogen were set to 50. The curtain gas and collision gas were also nitrogen and were set to 20 and 12, respectively. Leukotriene B4 (335.3) and 12-oxoLeukotriene B4 (333.3) SRM transitions were optimized with Discovery Quant software and extracted ion counts for these analytes were determined.
11725	1	Kinase Activity Assay	Assay of Kinase Activity The inhibitory effect of compounds against the kinase CDK4/cyclin D3 was detected by Caliper Mobility Shift Assay method. The final concentration of the compounds to be tested was set at 10 concentrations starting from 1 uM by 3-fold serial dilution. 5 &#956;L of compounds at 5-fold final concentration and 10 &#956;L of CDK4/cyclin D3 kinase solution at a final concentration of 10 nM was added to a 384-well reaction plate, respectively. The plate was pre-incubated for 10 min at room temperature (with negative control wells containing 10 uL of kinase buffer and 5 uL of 5% DMSO; positive control wells containing 10 &#956;L of kinase solution and 5 uL of 5% DMSO). The reaction was initiated by adding 10 &#956;L of ATP at a final concentration of 250 uM and the corresponding substrate peptide mixture at room temperature for 150 minutes. 30 uL of stop detection solution containing EDTA was added to stop the kinase reaction. Caliper EZ Reader was used to read the conversion rate. Conversion inhibition rate %=(average conversion rate of positive control %&#8722;conversion rate of sample %)/(average conversion rate of positive control %&#8722;average conversion rate of negative control %). wherein: negative control wells represent the conversion rate readings of wells without enzymatic activity; positive control wells represent conversion readings for wells with no compound inhibition. 
11726	1	Biological Assay	CDK2 IC50 Materials and solutions:HEPES (Sigma, H3375).Sodium orthovanadate (Sigma, 450243).DTT (Sigma).MgCl2 (Sigma, M1028).PEG-20000 (Sigma, 95172).ADP-Glo (Promega, V9102, includes ATP).Human CDK2/cycE1 (ProQinase, 0050-0055-1).Histone H1 (Merck Millipore, 14-155).Assay Procedure:A reaction mixture (6 &#956;L) containing the following components was prepared: 60 mM HEPES (60 mM, pH 7.5), sodium orthovanadate (3 &#956;M), PEG-20000 (50 &#956;g/mL), DTT (1.2 mM), MgCl2 (3 mM), purified human CDK2/cycE1 (4 &#956;g/mL), histone H1 (50 &#956;g/mL), ATP (20 &#956;M) and test compound at the appropriate concentration such that the final concentration of DMSO was 1% w/w. The reaction mixture was incubated at 30° C. for 75 min and then stopped by the addition of ADP-Glo Reagent (6 &#956;L). The reaction was incubated at 25° C. for 1 h to deplete the remaining ATP. Subsequently, Kinase Detection Reagent (12 &#956;L) was added and the reaction was allowed to proceed for 1 h at 25° C. before analysis by luminescence measurement using an Envision Plate Reader (Perkin Elmer).
11726	2	Biological Assay	CDK7 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:CDK7/cycH/MAT1 (ProQinase, 0366-0360-4).MnCl2 (Sigma, M1787).CDKtide (SignalChem, C06-58).Assay Procedure:A reaction mixture (6 &#956;L) containing the following components was prepared: 60 mM HEPES (60 mM, pH 7.5), sodium orthovanadate (3 &#956;M), PEG-20000 (50 &#956;g/mL), DTT (1.2 mM), MgCl2 (3 mM), MnCl2 (3 mM), purified human CDK7/cycH/MAT1 (4 &#956;g/mL), CDKtide (10 &#956;M), ATP (8 &#956;M) and test compound at the appropriate concentration such that the final concentration of DMSO was 1% w/w. The reaction mixture was incubated at 30° C. for 30 min and then stopped by the addition of ADP-Glo Reagent (6 &#956;L). The reaction was incubated at 25° C. for 1 h to deplete the remaining ATP. Subsequently, Kinase Detection Reagent (12 &#956;L) was added and the reaction was allowed to proceed for 1 h at 25° C. before analysis by luminescence measurement using an Envision Plate Reader (Perkin Elmer).
11726	3	Biological Assay	CDK9 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:Human CDK9/cycK (Promega, V4104).CDKtide (SignalChem, C06-58).Assay Procedure:A reaction mixture (6 &#956;L) containing the following components was prepared: 60 mM HEPES (60 mM, pH 7.5), sodium orthovanadate (3 &#956;M), PEG-20000 (50 &#956;g/mL), DTT (1.2 mM), MgCl2 (3 mM), purified human CDK9/cycK (2.5 &#956;g/mL), CDKtide (35 &#956;M), ATP (8 &#956;M) and test compound at the appropriate concentration such that the final concentration of DMSO was 1% w/w. The reaction mixture was incubated at 30° C. for 60 min and then stopped by the addition of ADP-Glo Reagent (6 &#956;L). The reaction was incubated at 25° C. for 1 h to deplete the remaining ATP. Subsequently, Kinase Detection Reagent (12 &#956;L) was added and the reaction was allowed to proceed for 1 h at 25° C. before analysis by luminescence measurement using an Envision Plate Reader (Perkin Elmer).
11727	1	HCV NS5B Pol assay ([32P]-CTP])	Compounds were assayed for inhibition of NS5B-821 from HCV GT-1b Con-1. Reactions included purified recombinant enzyme, 1 u/L negative-strand HCV IRES RNA template, and 1 &#956;M NTP substrates including either [32P]-CTP. Assay plates were incubated at 27° C. for 1 hour before quench. [32P] incorporation into macromolecular product was assessed by filter binding.
11727	2	HCV NS5B Pol assay ([32P]-UTP)	Compounds were assayed for inhibition of NS5B-821 from HCV GT-1b Con-1. Reactions included purified recombinant enzyme, 1 u/L negative-strand HCV IRES RNA template, and 1 &#956;M NTP substrates including either [32P]-UTP. Assay plates were incubated at 27° C. for 1 hour before quench. [32P] incorporation into macromolecular product was assessed by filter binding.
11728	1	Human Cathepsin L (CatL) Enzymatic Assay	Human cathepsin L enzymatic assay was performed in assay buffer (50 mM MES pH 5.5, 2.5 mM DTT, 0.5 mM EDTA) to assess the inhibition of human CatL by tested compounds. 60 &#956;L of the compounds were added to 384-well dilution plate. The compound solution was diluted for 1:3 in succession in DMSO for each column for 10 pts. 0.05 &#956;L diluted compound solution was added in each row to 384 assay plates (Corning 4514) using Echo (LABCYTE 655), each column containing 2 replicates. 5 &#956;L working solution of human CatL enzyme (Abcam #ab81780) was added to 384-well assay plate, centrifuge 1000 rpm for 1 min. The mixture was incubated at 2500 for 15 min, then add 5 &#956;L working solution of CatL substrate (Genscript #C7360HB140_5) to initiate the reaction (CatL: 0.05 nM, Substrate: 500 nM). Incubate at 2500 for 30 min. Reading Ex370 nm and Em460 nm fluorescence signals with BMG CLARIO Star Plusaucu. Percent inhibition for each compound was calculated and IC50 (half maximal inhibitory concentration) was fitted from non-linear regression by XLfit 5.5.0.
11729	1	In Vitro BTK Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 pL aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tri s-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, I pL of a 4-fold, 40×compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1×kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Corning 3674), and 5 pL of a 2×detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
11730	1	SARS-CoV-2 3C-like (3CL) Protease Fluorescence Assay (FRET)	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M).
11731	1	HSD2 Activity	Human descending colon epithelial stem cells were cultured as 3D organoids in accordance with Sato et al Gastroenterology. 2011 November; 141(5): 1762-72. Organoids were dissociated using TrypLE Express (life technologies) and plated on 96-well transwells (corning) in supplemented basal media (SBM-advanced DMEM/F12 containing 10 mM HEPES, 1:100 Glutamax, 1:100 penicillin/streptomycin, 1:100N2, 1:50 B27, 1 mM N-acetylcysteine, 10 nM [Leu15]-gastrin I) containing 100 ng/mL Wnt3A (W), 50 ng/mL EGF (E), 100 ng/mL Noggin (N), 500 ng/mL RSpondinl (R), 500 nM A83-01 (S) and 2.5 uM thiazovivin (T). Cultures were differentiated using SBM containing ENRA and 30 nM aldosterone on day 3, and cultures were used for assay on day 6 or 7. Compounds were diluted in DMSO and serial dilutions prepared by titrating in DMSO. Compounds were then diluted into DMEM/F12. Transwell plates containing descending colon cultures were washed twice with DMEM/F12 and compound was added to the apical compartment. Cells were incubated with test compound for 30 minutes at 37 C., 5% CO2 to equilibrate across the cell membrane. A second compound plate was prepared in which the serially diluted compounds in DMSO were diluted into DMEM/F12 containing 40 nM cortisol. Following the 30 minute pre-incubation step, the apical media was aspirated and compounds diluted in DMEM/F12 with 40 nM cortisol were added to the apical side of the transwell. The plate was then incubated for four hours at 37 C., 5% CO2. Cortisol levels were measured using a cortisol HTRF assay kit as described by the manufacturer (Cisbio). Concentration-response curves were then plotted and IC50 (and pIC50) values were determined using least squares non-linear regression.
11732	1	Fret Assay	The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with an enzyme kinetic assay. NoV strains, specifically GII.4 such as the Minerva virus are responsible for causing the majority (80%) of infections in humans. The activity of the inhibitors was evaluated by monitoring the cleavage of a FRET substrate every one minute for 20 minutes (excitation/emission: 488/520 nm) using a SpectraMax M5 microplate reader (Molecular Devices, Sunnyvale CA). Serial dilutions of each inhibitor were incubated with enzyme for 90 minutes at 37° C. before addition of the FRET substrate to ensure complete inactivation. Commercially available protease inhibitors chymostatin and rupintrivir were used as controls.
11733	1	In Vitro Radioligand Binding Assay	In Vitro Radioligand Binding Studies for Determination of the Dissociation Constants K1 at the Human Adrenoreceptor ADRA2C (Eurofins Panlabs Discovery Services, Taiwan, Ltd)A competition assay based on [3H] rauwolscine as radioliganden was used to determine the binding affinity of the test substances at the human ADRA2C receptor.To configure the competition assay, the equilibrium dissociation constant Kd of the radioligand [3H] rauwolscine was determined in a saturation experiment. To this end, homogenates of CHO-K1 cells recombinantly expressing the human ADRA2C receptor were incubated with increasing concentrations of the radiotracers for 1 h at 4° C. in binding buffer (50 mM Tris-HCl, 1 mM EDTA, pH 7.4). Unspecific binding was determined by addition of an excess of the not radioactively labelled ligand prazosin (10 &#956;M). The radioactivity was determined in a scintiation counter.The competition experiments were carried out in the presence of 0.5 nM [3H] rauwolscine and increasing concentrations of the test substances to be characterized under the conditions described above. The substance concentration which displaces 50% of the radiolabelled ligand is referred to as IC50 value.
11734	1	Inhibition of Sox18-DNA Binding Assay	Different concentration ranges were tested in the FP-based DNA binding competition assay (0.2-200 uM, 10-500 uM, 10 uM-3 mM), with DMSO concentrations ranging from 0 to 3.33% v/v. Experiments were performed in three independent replicates. The second column summarizes threshold concentrations at which compounds Sm1-14 start forming micelles in saline (200 mM NaCl) or fluorescence polarization buffer (30 mM HEPES pH 7.5, 100 mM KCl, 40 mM NaCl, 10 mM NH4OAc, 10 mM Guanidinium, 2 mM MgCl2, 0.5 mM EDTA, 0.01% NP-40). The third and fourth columns summarise 50% inhibitory concentration -IC50- of cell-based luciferase SOX18-dependent transactivation as well as cytotoxicity -CC50- for all active compounds, in COS7 fibroblasts.
11735	1	Isothermal Titration Calorimetry (ITC)	CDK2 was thawed at room temperature and buffer exchanged using Zeba spin desalting columns. The final ITC buffer was 1×PBS, 10 mM MgCl2, and 5% glycerol (pH=7.4), with 5% DMSO added after buffer exchange into the protein solution and from a 1:20 concentrated DMSO stock for the ligand solution. CDK2 concentration was determined using a NanoDrop&#153; spectrophotometer and calculated using absorption at 280 nm (&#949;=36,900 M&#8722;1 cm&#8722;1). Into a 96-well plate for automatic injection for the MicroCal iTC200 (Malvern), a final volume of 400 &#956;L protein solution for the sample cell and 200 &#956;L inhibitor solution for the injecting syringe were placed into the appropriate wells. The final inhibitor concentration in the syringe was 500-1,000 &#956;M depending on compound solubility. For Compounds 3-7, to get more accurate data on the ITC with appropriate c values (Wiseman, T., et al., Anal. Biochem. 1989, 179 (1), 131-7), the CDK2 concentration was lowered about 10-fold to 5 &#956;M and the syringe concentration lowered to 75 &#956;M. The ITC experiments were conducted at 25° C. and 750 rpm stirring, with a discarded initial 0.4 &#956;L injection and 20 subsequent 4 &#956;L injections with 180 s between injections. A one-site binding model was used to fit the ITC data after adjusting the baseline to account for slight buffer mismatch between the cell and syringe samples. All ITC runs were done in duplicates (n=2) for each compound.
11735	2	Surface Plasmon Resonance (SPR)	Briefly, a Biacore S200 (Cytiva) at 20° C. and CM5 chips were used for binding analysis. Multi-cycle runs were used for small molecule binding analysis, whereas a single-cycle run was used to measure cyclin binding. The buffer used to prepare the protein samples was 20 mM HEPES, 150 mM NaCl, 10 mM MgCl2, 0.01% Tween 20, pH=7.4). For runs with small molecules, an additional 1% DMSO was added for solubility. GST capture kit conditions (Cytiva catalog number BR100223) were used to capture anti-GST antibody on both the sample and reference cells (7 min immobilization, 10 &#956;L/min flow rate). Both surfaces had high affinity sites capped with an additional 3 min of GST flowed over (5 &#956;g/mL concentration, 5 &#956;L/min flow rate) followed by regeneration (10 mM glycine, pH=2.2). On the subtractive reference surface, GST was immobilized (20 &#956;g/mL, 5 &#956;L/min, 5 min). On the sample surface, GST-tagged CDK2 was immobilized in a similar fashion (50 &#956;g/mL, 5 &#956;L/min, 5 min).
11735	3	p-Cl-ANS Fluorescent Binding Assay	Compounds in DMSO (1% final) were added to 384-well black clear bottom plates (Greiner 781091) in 8-point dose response in duplicate using the Echo 550 (Beckman). SU9516 and DMSO were used as controls representing 100% and 0% inhibition of p-Cl-ANS binding, respectively. 20 &#956;L of assay buffer (150 mM NaCl, 50 mM HEPES, pH 7.5 containing 0.01% Triton and 2 mM DTT) was added to each well, the plate was shaken for 1 minute, centrifuged at 2000 rpm for 5 min intervals until air bubbles were eliminated and then read on a CLARIOstar plate reader (BMG; Ex 388 nm, Em 455 nm) to obtain background fluorescence measurements for correction of intrinsic compound fluorescence. Absorbance was then measured at both the excitation and emission wavelengths for correction of the inner filter effect. Next, 5 &#956;L p-Cl-ANS (Wang, N., et al., ACS Omega 2019, 4 (19), 18472-7; 15 &#956;M final) was added to each well in assay buffer. Where present, staurosporine (Enzo Life Sciences; final 5 &#956;M) was added as a premixed solution with p-Cl-ANS. Lastly, 5 uL of 3 &#956;M CDK2 (final 0.5 &#956;M) in buffer was added (final volume of 30 &#956;L) and the plate was shaken, centrifuged, and read as described above.
11736	1	Biochemical Assay	The reaction procedure was conducted as follows:1) Prepare substrate in freshly prepared Reaction Buffer.2) MnCl2 (2 mM) was added as a co-factor listed as above.3) Deliver kinase into the substrate solution and gently mix.4) Deliver compounds in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubate for 20 min at RT.5) Deliver 33P-ATP (specific activity 10 &#956;Ci/&#956;L) into the reaction mixture to initiate the reaction.6) Incubate for 2 hours at RT.7) Detect radioactivity by the filter-binding method.8) Kinase activity data was expressed as the percent remaining kinase activity in the test sample compared to vehicle (DMSO) reactions. Curve fits were performed where the enzyme activities at the highest concentration of compounds were less than 65%. IC50 values and curve fits were obtained using Prism (GraphPad Software).
11737	1	In Vitro Assay for Determining IC50	Compounds were prepared in DMSO (stock concentration: 1 mM) and 3×serially diluted (10 concentrations) in 384-LDV plate (Labcyte). Ninety nL of serially diluted compounds were transferred from 384-LDV plate into compound plate (PerkinElmer) by Echo 550 (Labcyte), and 30 uL assay buffer (1×HBSS with 20 mM HEPES, pH 7.4, Sigma) were added to each well. For FLIPR assay, culture media was removed and 20 uL of 1× loading dye (Assay buffer with 2 &#956;M Fluo-8 AM, AAT Bioquest; 1 mM Probenecid and 0.0025% pluronic F-127, Sigma) was added to each well. The plate was incubated at 37° C. for 1 hr (avoid light exposure). For FLIPR assay, Excitation wavelength was set at 470/495 nm and Emission wavelength was set at 515/575 nm (Molecular Devices). Assay was performed in both agonist and antagonist modes. For agonist mode, 10 &#956;L of diluted compounds were transferred to cell culture well and incubated at room temperature for 10 min. 
11738	1	BTK Enzyme Activity Assay	1. The substrate was prepared in freshly prepared reaction buffer;2. The required cofactor was added to the above-mentioned substrate solution;3. The kinase BTKC481S sis was added to the above-mentioned substrate solution and mix well;4. The compound dissolved in DMSO was added to the kinase reaction mixture through Echo550 (Acoustic technology; nanolite range), and the mixture was incubated at room temperature for 20 minutes;5. 33P-ATP (specific activity of radioactivity is 10 &#956;Ci/&#956;L) was added to the reaction mixture to initiate the reaction;6. The mixture was incubated at room temperature for 2 hours;7. The radioactivity was detected by filter-binding method;8. Kinase activity data represented the percentage of remaining kinase activity in the assay sample compared to the vehicle (dimethyl sulfoxide) reaction. IC50 value and fitted curve were obtained using Prism (GraphPad software).
11739	1	FRET Assay for REV-ERB Ligands	The capacity for compounds to function as ligands for either REV-ERB&#945; or REV-ERB&#946; was assessed using a fluorescent resonance energy transfer assay that detects the interaction between these receptors and the Nuclear Receptor Corepressor (NCoR) protein (the ID2 corepressor interaction domain peptides is used). This interaction is known to be ligand dependent and thus this assay that can detect an alteration of the affinity of these two proteins is able to detect ligands. The His-tagged ligand binding domain (LBD) of either REV-ERB&#945; or REV-ERB&#946; and fluorescein labeled NCoR ID2 peptide (Life Technologies #PV4624) is used in these assays. The His-tagged LBDs were expressed in E. coli (amino acids 281-614 REV-ERB&#945; and 381-579 REV-ERB&#946;) and labeled with a Terbium (Tb) labeled anti-His antibody (Life Technologies #PV5895). The assay buffer was PBS (phosphate buffered saline) with 5 mM DTT (dithiothreitol). The final concentration of various reagents in the assay are: REV-ERB LBD (either isoform) [5 nM], Fluorescein labeled NCoR ID2 peptide [250 nM], Tb labeled anti-his antibody [10 nM], dimethylsulfoxide [1%] and test compound [varying concentrations]. The assay was performed in Corning NBS black 384-well plates in a total volume of 20 &#956;l. The assay plate was incubated for 1 hour at room temperature protected from light and then TR-FRET was assessed on a Biotek plate reader with the following excitation/emission pairs (340 nm/495 nm and 340 nm/520 nm. 
11740	1	IC50 value on BTK wt/C481S Kinase Inhibition	Conclusion: compound 1 had a significant inhibitory effect on BTK wt/C481S kinase.
11741	1	RIPK1 Kinase Activity Assay	ADP-Glo Kinase kit can be used to measure ADP level in kinase activity assay so as to distinguish the inhibitory effects of different compounds on RIPK1 kinase activity. The ADP-Glo assay was usually divided into three steps. Firstly, the kinase converted ATP to ADP and phosphorylated the substrate at the same time; secondly, ATP digestion reagent was added to degrade all ATP in the reaction system; finally, a detection reagent was added to reduce ADP to ATP, and energy from ATP was transferred to fluorescein which thus emitting a chemical luminescence that can be detected. Assay procedure can refer to manufacture&#39;s technical manual.(2) Reagent Preparation:1.33× kinase buffer: 5× kinase buffer stock (250 mM of NaCl, 150 mM of MgCl2, 2.5 mg/ml BSA (bovine serum albumin), 0.1% CHAPS (3-[(3-cholamidopropyl)-dimethyl-ammonio]-1-propane sulfonate), and 5 mM of dithiothreitol) was diluted with water to 1.33× kinase buffer;RIPK1 enzyme solution: the kinase was dissolved in 1.33× kinase buffer to make 40 nM as the final working concentration;ATP solution: 10 mM ATP stock solution in water was dissolved in 1.33× kinase buffer to make 10 &#956;M as the final working concentration;4× compound preparation: the compound was diluted in a 3-fold gradient, and finally 4% DMSO aqueous solution containing different concentrations of the compound was obtained. The final concentrations of the test compound were 10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.014, and 0.005 &#956;M.(3) Specific Steps of the Experiment:The assay set up two control groups, one was 100% inhibition group (no enzyme treatment), another was 0% inhibition group (no inhibitor treatment), each control group contained 8 replicate wells. 2.5 &#956;l of serially diluted compound was added to each well of a 384-well plate, with double replicate wells, and 4% DMSO solution was added to control wells. Then 5 &#956;l of RIPK1 enzyme solution was added to each well except 100% inhibition control, 5 ul of buffer was added to 100% inhibition control, after that, 2.5 &#956;l of ATP solution was added to all wells, the plate was vibrated at 1000 rpm for 30 seconds to perform transient centrifuge; finally the 384-well assay plate was put in the shaking incubator, and incubated at room temperature for 3 hours. After the enzymatic reaction was completed, 5 &#956;l of ATP depletion reagent was added to each well, the mixture was centrifuged transiently, then the 384-well assay plate was put in the shaking incubator, and incubated at room temperature for 1 hour. 5 &#956;l of ADP detection reagent was added to each well, and the mixture was centrifuged transiently, and incubated at room temperature for 0.5 hour.
11742	1	DYRK1A kinase assay	Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1X Kinase buffer to final concentrations of 0.25 &#956;g/mL, 15 &#956;M, and 4 &#956;M respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (luM top) was run to serve as a positive compound control. After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11743	1	Binding Assay for &#947;2-Containing GABAA Subtypes	Table 1: Radioligand binding assays were carried out in a volume of 200 &#956;L (96-well plates) which contained 100 &#956;L of cell membranes, [3H]Flumazenil at a concentration of 1 nM and the test compound in the range of 0.1×10&#8722;9 to 30×10&#8722;6 M. Nonspecific binding was defined by 10&#8722;5 M Diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After drying, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Exel-Fit (Microsoft) and are the means of two determinations. The compounds of the accompanying examples were tested in the above described assay, and the preferred compounds were found to possess large K, value for displacement of [3H]Flumazenil from the &#945;1&#946;3&#947;2 subtype of the human GABAA receptor of 100 nM or above. Most preferred are compounds with a Ki &#945;1&#946;3&#947;2 (nM)>300.
11743	2	Electrophysiology Assay	Table 2: Electrophysiological experiments were performed using the Roboocyte instrument (MultiChannelSystems, Reutlingen, Germany) on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly superfused by a solution containing (in mM) NaCl 90, KCl 1, HEPES 5, MgCl2 1 CaCl2 1 (pH 7.4). Oocytes were impaled by two glass microelectrodes (resistance: 0.5-0.8 M&#937;) which were filled with a solution containing KCl 1M+K-acetate 1.5 M and voltage-clamped to &#8722;80 mV. The recordings were performed at room temperature using the Roboocyte two-electrode voltage clamp system (Multichannelsystem). After an initial equilibration period of 1.5 min GABA was added for 1.5 min at a concentration evoking approximately 20% of a maximal current response (EC20). After another rest interval of 2.5 min GABA was again added evoking a response of similar amplitude and shape. 0.5 min after the onset of this second GABA application the test compound, at a concentration corresponding to approximatively 30-fold its Ki &#945;2&#946;2&#947;1, was added while GABA was still present. Current traces were recorded at a digitization rate of 10 Hz during and shortly before and after the GABA application.
11744	1	Assay for In Vitro Inhibitory Activity Against HPK1 Kinase	The kinase buffer (Enzymatic buffer 5×) was diluted to 1×, and 10 mM MgCl2, 1 mM DTT, and 0.005% Tween 20 were added. The 100 ng/&#956;L HPK1 (Life technology) stock solution was diluted with the kinase buffer to obtain a 1.67×, 1.67 ng/&#956;L working solution (final concentration: 1 ng/&#956;L), and the working solution was seeded in a 384-well plate at 6 &#956;L/well. Different compounds dissolved in DMSO were added to the wells using a nanoliter pipettor to final concentrations of 1000 nM to 0.244 nM (4-fold serial dilution, 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set; the wells were set in duplicate. After the enzyme and compounds were incubated at room temperature for 1 h, a 5×, 0.5 mM ATP dilution (final concentration: 0.1 mM) in the kinase buffer was mixed with a 5×, 2.5 &#956;M substrate (Cisbio, STK Substrate 1-biotin; final concentration: 500 nM) in equal volume, and the mixture was added to each well at 4 &#956;L/well. The plate was sealed with a film and then incubated at room temperature for 2 h. 
11745	1	In Vitro Activity Assay of JAK1, JAK2, JAK3, TYK2 Kinases	JAK1(h) was incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 &#956;M MGEEPLYWSFPAKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 &#956;L of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, then dried and analyzed using a scintillation counter.
11745	2	In Vitro Activity Assay of JAK1, JAK2, JAK3, TYK2 Kinases	JAK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 &#956;L of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, then dried and analyzed using a scintillation counter.
11745	3	In Vitro Activity Assay of JAK1, JAK2, JAK3, TYK2 Kinases	JAK3(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 &#956;M GGEEEEYFELVKKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 &#956;L of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, then dried and analyzed using a scintillation counter.
11745	4	In Vitro Activity Assay of JAK1, JAK2, JAK3, TYK2 Kinases	TYK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 &#956;M GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 &#956;L of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, then dried and analyzed using a scintillation counter.
11746	1	Potency of IRAK4 Inhibitor Compounds in IRAK4 Enzyme Assay	The inhibitory activity of compounds against IRAK4 were determined in an enzymatic assay using mass spectrometry readout. Ten point half-log compound concentration response curves, with a top concentration of 1 &#956;M or 10 &#956;M, were generated from 10 mM stocks of compound solubilized in DMSO using an Echo 655 (Labcyte Inc) and added to 384 well assay plates (Greiner #781280). To the assay plates, 10 &#956;L of human recombinant IRAK4 protein (Life Technologies #PV4002) diluted to a final concentration of 0.2 nM in assay buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl, 5 mM glutathione, 0.01% BSA, 3 mM ATP) was added. The enzyme was incubated with the compounds at room temperature for 15 minutes before a peptide substrate (KKARFSRFAGSSPSQSSMVAR, Innovagen custom synthesis, 10 mM in DMSO) was added to each well to a final concentration of 10 &#956;M using an Echo 655 (Labcyte Inc). After two hours at room temperature, the reaction was stopped with 90 &#956;L of 0.4% formic acid (Merck #33015). The unphosphorylated and phosphorylated peptide were measured by LC-MS/MS on a Waters TQ-S mass spectrometer. Peaks were integrated using the TargetLynx software and the ratios between phosphorylated and unphosphorylated peptides were calculated.
11747	1	Inhibition of the activity of Gtfs determined by Zymographic Assay	A previously reported zymographic assay was utilized for the investigation of Gtf enzymatic activity, as described in Example 1. A 1:100 in fresh 5 mL THB with 50 &#956;L of selective compounds at a series of concentrations was used to dilute overnight S. mutans UA159 cultures and grown to OD470 of 1.0. The final concentration of DMSO used in the assays was 1%. After the centrifugation at 4° C., the supernatants were isolated and filtered through a 0.22-&#956;m-pore-size filter membrane and dialyzed at 4° C. against 0.02 M sodium phosphate buffer (pH 6.8), with 10 &#956;M phenylmethylsulfonyl fluoride (PMSF), followed by a second dialysis against 0.2 mM sodium phosphate containing 10 &#956;M PMSF. 4 mL of samples were concentrated to 40 &#956;L by 100K Amicon Ultra-4 centrifugal filter (Merck Millipore Ltd.). Next, 10 &#956;L of each concentrated culture supernatant was applied to 8% SDS-PAGE in duplicate. One gel was subjected to Coomassie blue dye for protein detection, while the other one was subjected to zymographic assay. The resultant white opaque glucan bands were visualized against a black background.
11748	1	Enzyme-Linked Immunosorbent Assay-ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2S4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
11749	1	In vitro DGK Inhibition Assay	The compound inhibition studies were carried out as follows: 50 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGK&#945; or DGK&#950; (prepared as described below) in assay buffer) and 2.5 mL of either 4× liposome or 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 &#956;L 2× enzyme/substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 &#956;L 300 uM ATP. The reactions were allowed to proceed for 1 hr, after which 2 &#956;L Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 &#956;L Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The percent inhibition was calculated from the ATP conversion generated by no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The compounds were evaluated at 11 concentrations to determine IC50.
11750	1	Biochemical Assay for Inhibitors of CK2&#945; Kinase Activity Assay	Final assay conditions comprised 0.2 nM CK2&#945;, 50 &#956;M peptide substrate (RRRADDSDDDDD), 15 &#956;M ATP in 1× reaction buffer (40 mM Tris pH7.5, 200 mM NaCl, 20 mM MgCl2, 0.1 mg/mL BSA, 1% DMSO). The assay was conducted as follows:1. Appropriate serial dilutions of test compound were prepared using Echo (Labcyte) and 50 nL of 100× compound in 100% DMSO transferred to the assay plate (white opaque OptiPlate-384, Perkin-Elmer).2. Enzyme and peptide substrate were prepared in fresh reaction buffer and added to the assay plate in a total volume of 3 &#956;l and incubated at room temperature for 15 minutes.3. 2 &#956;L of ATP solution freshly prepared in reaction buffer was added to start the reaction.4. After 120 minutes, the reaction was stopped by addition of 5 &#956;l ADP-Glo reagent (Promega V9102) and the plate incubated at room temperature for a further 60 minutes.5. 10 &#956;L of Kinase Detection reagent (Promega V9102) was added to assay plate and incubated for a further 30 minutes prior to reading luminescence on an Envision (Perkin-Elmer).Data was analysed to calculate compound IC50 and Ki as follows:1. All assay plates contained 32 wells designated as 0% inhibition control wells, which were treated with vehicle only (1% DMSO) and 32 wells designated as 100% inhibition control wells, which were treated with a high concentration of non-specific kinase inhibitor in 1% DMSO.2. Percent inhibition in each test well was calculated using the formula (MEAN0% inhibition control wells&#8722;test well reading)/(MEAN0% inhibition control wells&#8722;MEAN100% inhibition control wells)×100%.3. IC50 was determined using a standard 4-parameter fit method (Model 205, XL-fit).4. Percent activity was calculated for each well using: (Test well reading&#8722;MEAN100% inhibition control wells)/(MEAN0% inhibition control wells&#8722;MEAN100% inhibition control wells).5. Morrison Ki was determined using Morrison Ki equation (XL-fit).Assay 2: Biochemical Assay for Inhibitors of CLK2 Kinase Activity
11750	2	Biochemical Assay for Inhibitors of CLK2 Kinase Activity Assay	The assay was conducted in the same way as described for CK2&#945;, with final assay conditions comprising 20 nM CLK2 (Carna Biosciences-04-127), 50 &#956;M peptide substrate (KRRRLASLR), 100 &#956;M ATP in 1× reaction buffer (40 mM Tris pH7.5, 200 mM NaCl, 20 mM MgCl2, 0.1 mg/mL BSA, 1% DMSO).
11751	1	Bioactivity Assay	Bath 1 Buffer consisted of 1 mM MgCl2, 160 mM NaCl, 4.5 mM KCl, 10 mM HEPES, 10 mM Glucose, 2 mM CaCl2).Chloride Free Buffer consisted of 1 mM Magnesium Gluconate, 2 mM Calcium Gluconate, 4.5 mM Potassium Gluconate, 160 mM Sodium Gluconate, 10 mM HEPES, 10 mM Glucose.Bath1 Dye Solution consisted of Bath 1 Buffer, 0.04% Pluronic F127, 20 &#956;M Methyl Oxonol, 30 &#956;M CaCCinh-A01, 30 &#956;M Chicago Sky Blue.Chloride Free Dye Solution consisted of Chloride Free Buffer, 0.04% Pluronic F127, 20 &#956;M Methyl Oxonol, 30 &#956;M CaCCinh-A01, 30 &#956;M Chicago Sky Blue.Chloride Free Dye Stimulation Solution consisted of Chloride Free Dye Solution, 10 &#956;M forskolin, 100 &#956;M IBMX, and 300 nM Compound III.
11752	1	Biochemical Activity ACSS2 Assay	The assay was performed in Perkin Elmer 384 well white Proxiplates in a total volume of 8 &#956;l. 1 nM (fc)C-term myc tagged ACSS2 (human, recombinant, Origene, Rockville, US) and a mixture of 100 &#956;M (fc) ATP, 100 &#956;M (fc) Coenzyme A and 500 &#956;M (fc) sodium acetate were incubated in a total volume of 5 &#956;l (50 mM Hepes, 1 mM Mg-chloride, 150 mM NaCl, 1 mM DTT, 0.01% (w/v) BSA, 0.3% DMSO, pH 7.5) in the absence or presence of the test compound (10 dilution concentrations, start conc 30 &#956;M) for 180 min at 37 C. The reaction was stopped and residual ATP destroyed by the addition of 1 &#956;l AMP Glo reagent solution (Promega, Madison, US). After 1h incubation at room temperature 2 &#956;l of AMP Glo detection reagent was added and the assay was incubated for 0.75 hr at room temperature. The luminescence signal was measured with an Envision multimode reader (Perkin Elmer LAS Germany GmbH) at 700 nm in luminescence mode. The full value used was the inhibitor-free reaction. The pharmacological zero value was generated by addition of ACSS2 inhibitor (Ac-CoA Synthase Inhibitor CAS 508186-14-9-Calbiochem) in a final concentration of 5 &#956;M. The inhibitory values (IC50) were determined using the program Assay Analyzer from GeneData.
11753	1	Reaction Biology 33P Hotspot assay	IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 &#956;M ATP.).
11754	1	TBD	TBD
11755	1	Inhibitory Effects of the Compounds Disclosed Herein on ATPase Activity of Myosin	Myocardial actin (1.61 &#956;M) and myosin motor protein S 1 fragment (0.07 &#956;M) were mixed with different concentrations of small-molecule compounds (initial concentration of 100 &#956;M, serially diluted 3-fold to 9 concentrations), and the plate was incubated at 37° C. for 1 h. Then 120 &#956;M ATP was added and the plate was incubated at 37° C. for 2 h. Finally, the assay solution in the CytoPhos phosphate assay biochem kit was added to each well (70 &#956;L/well), and the plate was incubated at room temperature for 10 min. The OD readings at the wavelength of 650 nM were taken on a microplate reader. The Pi amount was calculated according to the standard curve. The data were processed using GraphPad software. An inhibition curve was plotted according to the compound concentrations and the corresponding inhibition rates, and the concentration at which the inhibition rate was 50%, i.e., the IC50 value, was calculated.
11756	1	Evaluation of ABHD6 Enzyme Inhibitory Activity Assay	First, 1-arachidonoyl glycerol (Cayman Chemical) as a substrate was prepared with an assay buffer containing 50 mM tris-HCl (pH 7.4), 100 mM NaCl, and 0.05% BSA, so as to have a final concentration of 10 &#956;mol/L. Then, a compound was added therein so as to have a final concentration of 0.0003, 0.001, 0.003, 0.01, 0.03, 0.1, 0.3, 1, 3, or 10 &#956;mol/L (DMSO: final concentration of 0.3%). In addition, solutions to which DMSO was added so as to have a final concentration of 0.3% were prepared as a group to which the compound was not added. The enzyme reaction was started by adding recombinant human ABHD6 (33-337) prepared with the same assay buffer to a mixed solution of the substrate and the compound so as to have a final concentration of 300 &#956;g/mL. The enzyme reaction was started by adding recombinant human ABHD6 (33-337) prepared with the same assay buffer to a mixed solution of the substrate and the compound so as to have a final concentration of 300 &#956;g/mL. The recombinant human ABHD6 (33-337) was a GST-tagged ABHD6, and one which was expressed in E. coli, then purified with a Glutathione-Sepharose 4B resin, and then concentrated was used. The enzyme reaction was carried out at room temperature using a 384-well microplate made of polypropylene, and wells to which no enzyme was added were designated as a blank group. One hour after the start of the enzyme reaction, methanol containing, as an internal standard substance, arachidonic acid-d8 (Cayman Chemical) and 1% formic acid was added to stop enzymatic reaction. The upper part of the enzyme reaction plate was sealed with aluminum, and centrifugation was performed at 560 g for 5 minutes at room temperature. Then, arachidonic acid as an enzyme reaction product and arachidonic acid-ds as the internal standard substance were quantified with RapidFire (registered trademark)-Mass Spectrometry system. The ratio of the quantitative values of the respective substances was taken, and the inhibition rate of arachidonic acid production at each compound concentration was calculated with the average of the blank group as 100% inhibition and the average of the group to which the compound was not added as 0% inhibition to determine the IC50 value.
11757	1	Biochemical Human MASP1 Assay	Recombinant human MASP1 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM Gluthathione) to the concentration of 20 nM and 25 &#956;l was transferred into each single well of 384-well white microtiter plate (Greiner Bio One 781075). 1 &#956;l of the inhibitor compound solution (dissolved in DMSO, at the corresponding concentration) or pure DMSO as a control was added to the same wells. The enzymatic reaction was initiated by addition of 25 &#956;l of 20 &#956;M solution of the FRET substrate ABZ-MYGGARRL-Lys (Dnp)-NH2; (ABZ-2-aminobenzoyl; DNP 2,4-dinitrophenyl; custom synthesis by Jerini Peptide Technologies, Berlin) in the reaction buffer. The microtiter plate was incubated for 60-120 min at the temperature of 32 C. The increase of fluorescence intensity was measured in appropriate fluorescence plate reader (e.g. TECAN Ultra) using excitation wavelength of 320 nm and emission wavelength of 420 nm. IC50 values were calculated from percentage of inhibition of human MASP1 activity as a function of test compound concentration.
11757	2	Biochemical Human MASP2 Assay	Recombinant human MASP2 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM Gluthathione) to the concentration of 20 nM and 25 &#956;l was transferred into each single well of 384-well white microtiter plate (Greiner Bio One 781075). 1 &#956;l of the inhibitor compound solution (dissolved in DMSO, at the corresponding concentration) or pure DMSO as a control was added to the same wells. The enzymatic reaction was initiated by addition of 25 &#956;l of 60 &#956;M solution of the FRET substrate DABCYL-KISPQGYGRR-Glu(EDANS) NH2; (Dabcyl-4-((4-(dimethylamino)phenyl)azo)benzoic acid; Edans-5-[(2-Aminoethyl) amino]naphthalene-1-sulfonyl; custom synthesis by Jerini Peptide Technologies, Berlin) in the reaction buffer. The microtiter plate was incubated for 60-120 min at the temperature of 32 C.
11757	3	Biochemical Rat MASP1 Assay	Recombinant rat MASP1 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM Gluthathione) to the concentration of 4 nM and 25 &#956;l was transferred into each single well of 384-well white microtiter plate (Greiner Bio One 781075). 1 &#956;l of the inhibitor compound solution (dissolved in DMSO, at the corresponding concentration) or pure DMSO as a control was added to the same wells. The enzymatic reaction was initiated by addition of 25 &#956;l of 40 &#956;M solution of the FRET substrate Dabcyl-MYGGARRL-Glu(Edans)-NH2; (Dabcyl-4-((4-(dimethylamino)phenyl)azo)benzoic acid; Edans-5-[(2-Aminoethyl) amino]naphthalene-1-sulfonyl; custom synthesis by Jerini Peptide Technologies, Berlin) in the reaction buffer. The microtiter plate was incubated for 60-120 min at the temperature of 32 C. The increase of fluorescence intensity was measured in appropriate fluorescence plate reader (e.g. TECAN Ultra) using excitation wavelength of 340 nm and emission wavelength of 490 nm. IC50 values were calculated from percentage of inhibition of rat MASP2 activity as a function of test compound concentration.
11757	4	Biochemical Rat MASP2 Assay	Recombinant rat MASP2 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM Gluthathione) to the concentration of 20 nM and 25 &#956;l was transferred into each single well of 384-well white microtiter plate (Greiner Bio One 781075). 1 &#956;l of the inhibitor compound solution (dissolved in DMSO, at the corresponding concentration) or pure DMSO as a control was added to the same wells. The enzymatic reaction was initiated by addition of 25 &#956;l of 30 &#956;M solution of the FRET substrate Abz-IEGRTSED-(Lys)Dnp-NH2; (ABZ-2-aminobenzoyl; DNP-2,4-dinitrophenyl; custom synthesis by Jerini Peptide Technologies, Berlin) in the reaction buffer. The microtiter plate was incubated for 60-120 min at the temperature of 32 C. The increase of fluorescence intensity was measured in appropriate fluorescence plate reader (e.g. TECAN Ultra) using excitation wavelength of 320 nm and emission wavelength of 420 nm. IC50 values were calculated from percentage of inhibition of rat MASP2 activity as a function of test compound concentration.
11758	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer.
11759	1	Skeletal Myofibril ATPase Assay	BSA, ATP, NADH, PEP, and DTT solutions were thawed at room temperature, then transferred to ice. Pellet-frozen myofibrils (approximately twice the required volume) were transferred into a sufficiently large tube and capped. Myofibrils were thawed by rolling in a water bath for approximately 15 min at room temperature and cooled on ice. Buffers A and B were prepared by adjusting volumes as necessary for required number of wells and stored on ice. 0.5 &#956;L of the compounds to be assayed were added into wells of a 384-well plate. Buffers A and B were mixed by inversion immediately prior to use, then 25 &#956;L of each was dispensed using a Multidrop dispenser (Buffer A first, then Buffer B). The absorbance within the wells was measured at 340 nm, using a kinetic protocol in which the wells are read every 1.5-2 min for 1 h. The reaction rate was qualitatively assessed by subtracting the minimum absorbance value from the maximum value for each well, using either the SoftMax Pro plate reader software or a spreadsheet program such as Excel. Using GraphPad Prism 8.0, the data was normalized, with 100% activity defined as the absorbance change in the 1% DMSO vehicle wells and 0% assigned to no change in absorbance over the course of the experiment. The normalized data were fit to a variable-slope four-parameter logistic model, constraining the bottom to be 0 or greater.
11759	2	Cardiac Myofibril ATPase Assay	Following example 15, the counter screen was done using frozen myofibril pellets obtained from cardiac tissue. The assay was done in the same manner as above, with the following notable exceptions: the final well concentration of myofibrils was 1.0 mg/mL and KCl was omitted from the recipe.
11760	1	LSD1 in vitro activity assay	Principle: LSD1 specifically removes the methylation modification at K4 lysine on H3 polypeptide substrate, making it a substrate without methylation. The method employed histone H3 methylated polypeptide (1-24) as a substrate and introduces a biotin label in the C segment of the substrate. When LSD1 was initiated with the participation of FAD, the methylation modification on the substrate H3K4 can be removed. The Eu-labeled H3K4 background antibody binded to the substrate by antigen-antibody reaction, while the streptavidin-labeled receptor binded together by the specific interaction of streptavidin and biotin, thereby the Eu-labeled donor interacting with the streptavidin-labeled receptor. In fluorescence resonance energy transfer, when two fluorophores were brought close due to biomolecular interaction, part of the energy captured by the cryptate when excited would be released, the emission wavelength of which is 620 nm; the other part of the energy was transferred to the acceptor, the emission wavelength of which is 665 nm. The 665 nm emission can only produce by FRET caused by the donor. Therefore, when biomolecules interact, there were two excited lights at 620 nm and 665 nm; when there was no interaction, there was only one excited light at 620 nm. The LSD1 demethylation activity can be reflected by detecting the ratio between the fluorescence signals at the two emission wavelengths of 665 nm and 620 nm. Meanwhile, a blank control was set to determine the strength of the enzyme activity. 
11760	2	MAOA and MAOB In Vitro Activity Assay	Principle: A specific luciferin derivative was used as a substrate. MAOA or MAOB can catalyze the conversion of substrate to luciferin methyl ester. The product luciferin methyl ester can produce fluorescent light under the action of luciferase, so that the activity of MAOA or MAOB can be reflected by the intensity of the fluorescent signal. Meanwhile, a blank control was set to determine the strength of the enzyme activity. Tranylcypromine was used as a positive inhibitor in the experiment.Sample treatment: The sample was dissolved in DMSO, and stored at low temperature. The concentration of DMSO in the final system was controlled to a range which would not affect the determined activity.In the initial screening, the activity of the sample was tested at a single concentration, for example 100 &#956;M. For samples exhibiting activity under certain conditions, for example, the inhibition rate % Inhibition is greater than 50, the active dose-dependent relationship, i.e., the IC50 value was obtained by nonlinearly fitting the activity of the sample vs the concentration of the sample, and the software used for the calculation was Graphpad Prism 5. The model used for fitting was sigmoidal dose-response (varible slope), and for most inhibitor screening models, the bottom and top of the fitted curve were set to 0 and 100.
11761	1	A2A Tag-lite HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 &#956;L. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-lite Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4 the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement.
11761	2	A2B Filter Binding Assay	Assays are conducted in deep well polypropylene plates (Greiner 786201) in a final volume of 550 &#956;L. Test compounds are first serially diluted in DMSO and 5.5 ul is then added to the plate wells before the addition of other reaction components. The final concentration of DMSO is 3%. HEK293 cell membranes overexpressing the human adenosine receptor A2B (Perkin Elmer ES-113-M400UA) are diluted to 40 &#956;g/mL in 50 mM HEPES pH 7.0, 5 mM MgCl2, 1 mM EDTA (Assay buffer). [3H] 8-cyclopentyl-1,3-dipropylxanthine (Perkin Elmer NET974001MC) is diluted in assay buffer+22% DMSO to 24.2 nM, and then further diluted to 1 nM by addition to the diluted membranes. 545 &#956;l of the membrane and ligand mix is added to the assay wells and incubated on a shaker at room temperature for 1 hour. The membrane mix is then filtered over a UniFilter GF/C filter plate (Perkin Elmer 6005174) pre-soaked in 50 mM HEPES pH 6.5, 5 mM MgCl2, 1 mM EDTA 0.5% BSA and then washed with 5 mL ice cold 50 mM HEPES pH 6.5, 5 mM MgCl2, 1 mM EDTA 0.2% BSA. 50 &#956;l MicroScint cocktail (Perkin Elmer 6013621) is added and plates are read on a Topcount NXT FS (Perkin Elmer). Percent binding of the [3H] ligand is calculated, where 1000 nM of LUF 5834 (Tocris 4603) control displaces the ligand 100% and 3% DMSO has 0% displacement. 
11762	1	Enzyme Activity Assay	Assay details: A SARS-Cov-2 Mpro construct was prepared, which includes a His-tag and PreScission cleavage site (see FIG. 3A). The construct was transformed into E. coli and the enzyme was isolated using Ni2+-affinity chromatography. The C-terminal His tag was cleaved by PreScission and the N-term was autocleaved by the protease itself. The protein was further purified by FPLC and purity was assessed by gel electrophoresis and Coomassie staining. The enzymatic activity of purified SARS-CoV-2 Mpro was tested using a dabcyl-KTSAVLQ&#8595;SGFRKME(Edans)-NH2 substrate (GL Biochem) by monitoring at em 460 nm with ex 360 nm (the assay is schematically shown in FIG. 3B, adapted from Kasperkeiwicz et al., FEBS J, 284 (10), 1518-1539). Initial velocities were determined from the linear portion of the kinetic curve. As a quality control measure, the Km and kcat of purified SARS-CoV-2 Mpro were compared to published values and only preparations that show similar activity were used in the activity assay. SARS-CoV-2 Mpro was incubated with a test compound for 20 minutes prior to addition of substrate. Compounds were tested at 17 &#956;M in duplicates. For each tested compound, assay results were reported as % fluorescence generated by initial enzyme activity (initial enzyme activity in the absence of test compound). 
11763	1	In Vitro Activity Against CBP	The potency and selectivity of CBP/P300 inhibitor compounds including Compound 1 were determined in biochemical time resolved fluorescence assays using GST fusions of the bromodomains of CBP and BRD4. Briefly, CBP inhibitors were pre-dispensed into 1536 assay plates for a final test concentration of 33 uM to 1.7 nM. Plates and incubated for 4 h. Data were reported as percent inhibition compared with control wells. IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm. In these conditions, Compound 1 was determined to be a potent inhibitor of CBP with an IC50<2 nM (N=16). In a similar assay, BRD4 potency was determined and Compound 1 showed an IC50 of <500 nM (N=15), indicating >200-fold selectivity.
11764	1	Biochemical Assay	The biochemical PIKFyve inhibition assays were run by Carna Biosciences according to proprietary methodology based on the Promega ADP-Glo Kinase assay. A full-length human PIKfyve [1-2098(end) amino acids and S696N, L932S, Q995L,T998S, S1033A and Q1 183K of accession number NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKfyve was purified by using glutathione sepharose chromatography and used in an ADP-Glo Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4 final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADP-Glo reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 &#956;M to 3 nM. Data were analyzed by setting the control wells (+PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration vs % inhibition curves by fitting to a four-parameter logistic curve.
11765	1	In vitro Assay	The enzymatic activity of compounds of the present invention was monitored measuring the formation of ADP using the ADP-GLO Kinases assay. Following the incubation of the purified enzyme, a substrate and ATP, the produced ADP was converted into ATP, which in turn was converted into light by Ultra-Glo Luciferase. The luminescent signal positively correlated with ADP amount and kinase activity. Briefly, the kinase reaction was performed by incubating 2.6 nM of the purified, commercially available human ALK5 (recombinant TGF (31 N-term GST-tagged, 80-end), a final concentration of TGF(31 peptide 94.5 &#956;M (Promega, T36-58) and ultra-pure ATP (Promega V915B). The ATP concentration was set at the Km value (concentration of substrate which permits the enzyme to achieve half maximal velocity (Vmax)) of ALK5 (5 &#956;M). All reactions/incubations were performed at 25° C. Compound and ALK5 kinase were mixed and incubated for 15 mins. Reactions were initiated by addition of ATP at a final concentration in the assay of 0.8301 After an incubation of 150 min, the reaction was stopped, and ADP production detected with ADP-Glo kit according to manufacturer&#39;s indications.
11766	1	In Vitro Assay for Detecting and Measuring Modulation of hFPR1 by Compounds	Cyclic Adenosine Monophosphate (cAMP) Assay: CHO-K1 cells stably overexpressing hFPR1 were plated into 384-well cell culture plates (2,000/well/5 &#956;L) in 1× Stimulation Buffer (LANCE Ultra cAMP Kit, Perkin Elmer, TRF0263). 1 &#956;L compound solution (prepared in ddH2O containing 0.2% DMSO) was added to each well. Plates were centrifuged briefly, and cells were incubated at 37° C. in 5% CO2 for 10 minutes. 4 &#956;L solution containing 2.5 &#956;M Forskolin and 0.25 nM WKYMVm (an FPR1 agonist, GLPBIO, GC15140) was then added to each well. 5 &#956;L of Eu-cAMP solution (diluted to manufacturer&#39;s recommended working concentration in Detection Buffer, LANCE Ultra cAMP Kit) and 5 &#956;L of ULight-anti-cAMP solution (diluted in Detection Buffer, LANCE Ultra cAMP Kit) were added to each well. Plates were centrifuged briefly, and cells were incubated at room temperature for 1 hour. Fluorescence emission at 665 nm and 620 nm from the samples was measured by a Perkin Elmer Envision instrument.
11767	1	Enzyme Activity Assay	Human OGA (recombinant hOGA protein, advanced Protein Technologies corp., Korea) enzyme reaction was performed in a reaction solution containing 25 mM Tris/HCl and 0.1 mg/ml bovine serum albumin (pH 7.5) using 2 mM 4-Methylumbelliferyl N-acetyl-&#946;-D-glucosaminide (69585; Sigma) dissolved in DMSO as a substrate. The amount of the human OGA enzyme used in the reaction was 8 ng/well. Various amounts of the compounds of Examples 1 to 3 were added to the enzyme before the reaction started. The reaction was performed in a 384-well plate at 37° C. for 20 minutes, and then started by adding the substrate. An increase in fluorescence was measured using a SAFIRE (Tecan, Switzerland) fluorometer and detected at excitation and emission wavelengths set at 360 nm and 460 nm, respectively. 
11768	1	Kinase-Glo Assays	Certain compounds of the present disclosure were tested for their h-cGAS inhibition activity using the methodology reported in Lama et al., &#147;Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression&#148;, Nature Communications 10, Article number: 2261 (2019), with slight changes to some conditions as shown in TABLE 2: Summary of assay conditions Lama et al. 2019 Present Disclosure Enzyme h-cGAS (nM) 100 40BufferTris-HCl pH 7.4 (mM) 20 20MgCl2 (mM) 5 10NaCl (mM) 150 25Tween&#8201;&#153;-20 (%) 0.01 0.01ZnCl2 1 1DTT (mM) 1 1DMSO (%) 0.5 5SubstratesATP (uM) 100 100GTP (uM) 100 100dsDNA (nM) 25 25AssayPlate (wells) 384 384Incubation length (h) 7 2Total volume (&#956;l) 20 20Kinase-Glo Max (&#956;l) 20 20
11769	1	UDP-Glo Glucosylceramide Synthase Biochemical Assay	Using Promega&#39;s UDP-Glo Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 &#956;g crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 &#956;M; Promega), at concentrations equivalent to 2 Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction. The generated light was detected using a luminometer.
11770	1	In Vitro Kinase Detection Assay	Kinases BTK wt (Carna, Cat. No 08-180) and BTK C481S (Carna, Cat. No 08-547) were prepared into a 2.5× kinase solution, and substrates FAM-P2 (GL Biochem, Cat. No. 112394) and ATP ((Sigma, Cat. No. A7699-1G) were prepared into a 2.5× substrate solution, respectively. 5 &#956;L of compounds at different concentrations were added to a 384-well plate. 10 &#956;L of 2.5× kinase solution was added, and the resulting mixture was incubated at room temperature for 10 min. 10 &#956;L of 2.5× substrate solution was added, and the mixture was incubated at 28° C. for an appropriate period of time. The reaction was stopped by adding 30 &#956;L of stop buffer, and the detection was carried out by using Caliper EZ reader2. The IC50 value was calculated by using XLFit excel add-in version 5.4.0.8 software.
11771	1	ADP-GLO Kinase Assay	Briefly, 4 compound solution and 4 ATP solution are prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2). 4 Substrate solution and 4 kinase/Metal solution are prepared with MOPS based buffer containing individual kinase specific additives. Then, L of 4 compound solution, 5 &#956;L of 4 Substrate solution, 5 &#956;L of 4 ATP solution, and 5 &#956;L of 4 kinase/Metal solution are mixed and incubated in a well of polystyrene 384 well black microplate for 1 hour at room temperature. Next, 20 &#956;L of ADP-Glo Reagent (Promega) is added to the well,and incubated for over 40 minutes. 40 &#956;L of Kinase Detection Reagent (Promega) is added to the well, and incubated for over 40 minutes. The kinase reaction is evaluated by the endpoint luminescence of the well. For measurement of PIKFYVE activity, the substrate is PI3P at 10,000 nM concentration, using AG-182 as a positive control. The metal used is magnesium at 5 mM concentration.
11771	2	KINOMEscan Kinase Assay	Kinase-tagged T7 phage strains are prepared in an E. coli host derived from the BL21 strain. E. coli are grown to log-phase and infected with T7 phage, and incubated with shaking at 32° C. until lysis. The lysates are centrifuged and filtered to remove cell debris. Alternatively, some kinases are produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads are treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads are blocked with excess biotin and washed with blocking buffer (Sea Block, 1% BSA, 0.05% Tween-20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions are assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% Sea Block, 0.17×PBS, 0.05% Tween-20, 6 mM DTT). Test compounds are prepared as 111× stocks in DMSO. Kd values are determined using an 11-point, 3-fold compound dilution series with three DMSO control points. Compounds are distributed by non-contact acoustic transfer and are then directly diluted into the assay for a final concentration of DMSO of 0.9%, with a final volume in each well of 0.02 mL. Assay plates are incubated at room temperature with shaking for one hour, and the affinity beads are then washed with wash buffer (1% PBS, 0.05% Tween-20). The beads are then resuspended in elution buffer (lx PBS, 0.05% Tween-20, 0.05 &#956;M non-biotinylated affinity ligand) and incubated with shaking for 30 minutes. The concentration of kinase in the eluates is measured by qPCR. Binding constants (Kd) are calculated with a standard dose-response curve using the Hill equation, fitted using non-linear least squares fit with the Levenberg-Marquedt algorithm.
11772	1	HTRF Assay	EGFR Kinase activity was monitored using a HTRF KinEASE-TK kit from Cisbio (62TK0PEC). The buffer used was 1 kinase buffer supplemented with 2 mM MnCl2, 5 mM MgCl2, 1 mM TCEP and 100 diluted Supplementary Enzyme Buffer. EGFR was purchased from Promega. 0.041 ng/ul EGFR (0.46 nM) was preincubated in the absence or presence of inhibitor at room temperature for 3 hours. Reaction with substrate was then initiated by adding biotinylated substrate and ATP. The concentration of substrate in the reaction mixture was 0.5 uM and ATP was 1.57 uM (reported Km value). The reaction was terminated by adding 31.25 nM SA-XL665 and 100 fold diluted europium labelled antibody (Eu-Ab), diluted in 1 detection buffer that contained EDTA. After 60 min of incubation, the fluorescence emission was measured at 620 nm and 665 nm. The ratio of Em 665 nm to Em 620 nm was proportional to the amount of substrate phosphorylated by the kinase.
11772	2	HTRF Assay	BTK Kinase activity was monitored using a HTRF KinEASE-TK kit from Cisbio (62TK0PEC). For BTK, the 1 kinase buffer was supplemented with 10 mM MnCl2, 5 mM MgCl2, 1 uM ATP&#947;S, 1 mM TCEP and 100 fold diluted Supplementary Enzyme Buffer. BTK was purchased from Promega. 0.111 ng/&#956;L BTK (1.42 nM) was preincubated in the absence or presence of inhibitor at room temperature for 3 hours. Reaction with substrate was then initiated by adding biotinylated substrate and ATP and the reaction was allowed to proceed for 45 min. Final concentration of substrate in the reaction mixture was 1 uM and ATP was 28 uM (reported Km value). The reaction was terminated by adding 62.5 nM SA-XL665 and 100-fold diluted europium labelled antibody (Eu-Ab), diluted in 1 detection buffer that contained EDTA. After 60 min of incubation, the fluorescence emission was measured at 620 nm and 665 nm. The ratio of Em 665 nm to Em 620 nm was proportional to the amount of substrate phosphorylated by the kinase.
11772	3	HTRF Assay	BMX Kinase activity was monitored using a HTRF KinEASE-TK kit from Cisbio (62TK0PEC). The buffer used was 1 kinase buffer supplemented with 2 mM MnCl2, 5 mM MgCl2, 1 mM TCEP and 100 diluted Supplementary Enzyme Buffer. BMX was purchased from Promega. 0.333 ng/ul BMX (3.03 nM) was preincubated in the absence or presence of inhibitor at room temperature for 3 hours. The reaction with substrate was then initiated by adding biotinylated substrate and ATP. The concentration of substrate in the reaction mixture was 0.5 uM and ATP was 26 uM (reported Km value). Reaction was terminated by adding 31.25 nM SA-XL665 and 100 fold diluted europium labelled antibody (Eu-Ab), diluted in 1 detection buffer that contained EDTA. After 60 min of incubation, the fluorescence emission was measured at 620 nm and 665 nm. The ratio of Em 665 nm to Em 620 nm was proportional to the amount of substrate phosphorylated by the kinase.
11772	4	HTRF Assay	JAK3 Kinase activity was monitored using a HTRF KinEASE-TK kit from Cisbio (62TK0PEC). The buffer used was 1 kinase buffer supplemented with 2 mM MnCl2, 5 mM MgCl2, 1 mM TCEP and 100 diluted Supplementary Enzyme Buffer. JAK-3 was purchased from Promega. 0.0133 ng/ul JAK3 (0.21 nM) was preincubated in the absence or presence of inhibitor at room temperature for 3 hours. Reaction with substrate was then initiated by adding biotinylated substrate and ATP. The concentration of substrate in the reaction mixture was 0.5 uM and ATP was 1.434 uM (reported Km value). The reaction was terminated by adding 31.25 nM SA-XL665 and 100 fold diluted europium labelled antibody (Eu-Ab), diluted in 1 detection buffer that contained EDTA. After 60 min of incubation, the fluorescence emission was measured at 620 nm and 665 nm. The ratio of Em 665 nm to Em 620 nm was proportional to the amount of substrate phosphorylated by the kinase.
11772	5	HTRF Assay	FGFR4 Kinase activity was monitored using a HTRF KinEASE-TK kit from Cisbio (62TK0PEC). The buffer used was 1 kinase buffer supplemented with 2 mM MnCl2, 5 mM MgCl2, 1 mM TCEP and 100 diluted Supplementary Enzyme Buffer. FGFR-4 was purchased from Promega. 0.333 ng/ul FGFR4 (5.12 nM) was preincubated in the absence or presence of inhibitor at room temperature for 3 hours. Reaction with substrate was then initiated by adding biotinylated substrate and ATP. The concentration of substrate in the reaction mixture was 0.5 uM and ATP was 113 uM (reported Km value). The reaction was terminated by adding 31.25 nM SA-XL665 and 100 fold diluted europium labelled antibody (Eu-Ab), diluted in 1 detection buffer that contained EDTA. After 60 min of incubation, the fluorescence emission was measured at 620 nm and 665 nm. The ratio of Em 665 nm to Em 620 nm was proportional to the amount of substrate phosphorylated by the kinase.
11773	1	MALT1 Protease Assay 1	The final assay buffer includes 2 nM of MALT1 full-length protein, 50 &#956;M Ac-LRSR-AMC substrate, 50 mM Tris pH 7.5, 600 mM Sodium Citrate, 1 mM DTT, 1 mM EDTA, and 0.05% BSA in 384-well plate format using black microtiter square well plates (Optiplate 384-F, Perkin Elmer). Test compounds were dissolved in 100% DMSO at stock of 10 mM, with final DMSO concentration 0.1%. Test compounds were pre-incubated with MALT1 protein for 2 h at room temperature. Substrate was added after the pre-incubation and fluorescence signal was measured using Envision at excitation 355 nm and emission 460 nm after 8 hr incubation at RT. Increase in the assay signal was linear over this period and proportional with increase in the enzyme content.
11773	2	MALT1 Protease Assay 2	The final assay buffer includes 1 nM of MALT1 full-length protein, 50 &#956;M Ac-LRSR-AMC substrate, 50 mM Tris pH 7.5, 600 mM Sodium Citrate, 1 mM DTT, 1 mM EDTA, and 0.05% BSA in 384-well plate format using black microtiter square well plates (Optiplate 384-F, Perkin Elmer). Test compounds were dissolved in 100% DMSO at stock of 10 mM, with final DMSO concentration 0.1%. Test compounds were pre-incubated with MALT1 protein for 2 h at room temperature. Substrate was added after the pre-incubation and fluorescence signal was measured using Envision at excitation 355 nm and emission 460 nm after 8 hr incubation at RT. Increase in the assay signal was linear over this period and proportional with increase in the enzyme content.
11774	1	SMARCA2 Bromodomain Binary and Ternary Binding Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (PerkinElmer ProxiPlate Plus), in which the compound competes the same binding site with the ligand, and thus lead to dose-dependent TR-FRET signal reduction. The cooperativity of the compounds for ternary complex formation with E3 ligase was evaluated in the absence or presence of saturating concentrations of VCB. Testing compounds were dissolved in DMSO at 10 &#956;M and tested in 9-dose IC50. The assay mixture was prepared by mixing SMARCA2 (10 nM final), biotinylated probe (25 nM final), and assay buffer or VCB (5 &#956;M) in 1×AlphaLISA Epigenetics Buffer (PerkinElmer AL008F) with 1 mM TCEP. The compounds in DMSO were added to each well in 3-fold serial dilution by dispenser (TECAN D300E) and incubate for 20 minutes at room temperature before addition of detection reagents, Lance Eu W1024 anti-6×His (0.6 nM final, PerkinElmer AD0110) and Streptavidin Surelight APC (6 nM final, PerkinElmer CR130-100). The plate was then sealed and further incubated at 4° C. overnight in dark, and then was read by Envision multimode plate reader (PerkinElmer, 2102-0010). The ratio of florescence signal at 665/620 was used in data analysis. Percentage inhibition was calculated by % inhibition=100×(FDMSO-F)/(FDMSO-FPC), in which FDMSO is DMSO control, and FPC is positive control. IC50 values were determined from dose response curve by fitting the percent inhibition against compound concentration using
11774	2	SMARCA4 Bromodomain Binary and Ternary Binding Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (PerkinElmer ProxiPlate Plus), in which the compound competes the same binding site with the ligand, and thus lead to dose-dependent TR-FRET signal reduction. The cooperativity of the compounds for ternary complex formation with E3 ligase was evaluated in the absence or presence of saturating concentrations of VCB. Testing compounds were dissolved in DMSO at 10 mM and tested in 9-point IC50 mode. The assay mixture was prepared by mixing SMARCA4 (20 nM final), biotinylated probe (25 nM final), and assay buffer or VCB (5 &#956;M) in 1×AlphaLISA Epigenetics Buffer (PerkinElmer AL008F) with 1 mM TCEP. The compounds of interest in DMSO were added to each well in 3-fold serial dilution by dispenser (TECAN D300E). and incubate for 20 minutes at room temperature before addition of detection reagents, Lance Eu W1024 anti-6×His (0.6 nM final, PerkinElmer AD0110) and Streptavidin Surelight APC (6 nM final, PerkinElmer CR130-100). The plate was then sealed and further incubated at 4° C. overnight in dark, and then was read by Envision multimode plate reader (PerkinElmer, 2102-0010). The ratio of florescence signal at 665/620 was used in data analysis. 
11775	1	In Vitro PAD4 BAEE Biochemical Assay	One hundred nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well black OptiPlate using a Labcyte Echo instrument. Ten microliters of a solution of recombinant PAD4 and calcium chloride diluted in PAD4 assay buffer (50 mM MOPS [3-(N-morpholino) propanesulfonic acid], pH 7.6; 50 mM sodium chloride; 0.05% Tween-20; 2 mM dithiothreitol) was added to the compound-containing plate and was incubated for 30 minutes at 25° C. Ten microliters of a solution of BAEE (Sigma-Aldrich #B4500) diluted in PAD4 assay buffer was then added to start the reaction. Final concentrations were 5 nM PAD4, 2 mM calcium chloride, and 3 mM BAEE. The reaction mixture was incubated at 25° C. for 2 hours and was stopped with the addition of 10 microliters of a solution of 75 mM EDTA (Ethylenediaminetetraacetic acid) in PAD4 assay buffer. Thirty microliters of detection solution (5 mM o-phthalaldehyde, 50 mM MOPS [3-(N-morpholino) propanesulfonic acid], pH 7.6; 50 mM sodium chloride; 0.05% Tween-20; 5 mM dithiothreitol) was then added and the reaction was incubated for 1 hour at 25° C. The level of fluorescent thiol-substituted isoindole resulting from the reaction of ammonia, o-phthalaldehyde, and dithiothreitol was measured on an Envision plate reader (PerkinElmer) with 405 nm excitation and 535 nm emission.
11776	1	In Vitro Enzymatic Activity Assay on WRN Helicase	The core helicase motif of the WRN protein (aa N517-P1238) was produced for this assay (protein production as described above). A 45 oligonucleotide sequence called FLAP26 as described by Brosh et al., 2009, DOI: 10.1074/jbc.M111446200 (TTTTTTTTTTTTTTTTTTTTTTCCAAGTAAAACGACGGCCAGTGC; SEQ ID NO: 2) was purchased from IDT (Integrated DNA Technologies, Leuven, Belgium) and used as single strand DNA substrate. The ADP-Glo assay kit (Promega, Madison, WI) allowing the quantification of ADP produced in ATP hydrolysis reactions was used for setting up this assay.Time course experiments were first performed in order to determine the best enzymatic assay conditions (including buffer conditions, reaction time and concentrations of protein, ATP and DNA substrates). A typical reaction consists of 10 nM WRN protein, 0.2 nM FLAP26, and 300 micromolar ATP in the following assay buffer: 30 mM Tris pH7.5, 2 mM MgCl2, 0.02% BSA, 50 mM NaCl, 0.1% pluronic F127 prepared in DNAse free water. To evaluate the inhibition properties of compounds of the invention, serial dilutions were prepared in DMSO (10 half log dilutions from a 10 mM DMSO solution). 50 nanoliters of each concentration was pre-incubated for 3 hours in a 384 small volume assay plate (Greiner #784075) with 2.5 microliters of a 20 nM WRN helicase protein in assay buffer with 600 micromolar ATP. Control wells were included with a high control (no inhibition), containing DMSO with no test compound, and low controls (maximal inhibition), containing buffer without protein. The reaction was started by addition of 2.5 microliters of FLAP26 at 0.4 nM and incubated for 30 minutes at room temperature. The reaction was stopped with the addition of 5 microliters of the first ADP-Glo reagent and incubated for one hour to remove the excess amount of ATP. Afterwards, 10 microliters of ATP detection reagent was added and incubated for an additional hour before reading. Luminescence output was recorded using Tecan 1000 reader, with 5 minutes delay before reading. Each concentration of compound was tested in duplicates in the assay plate.
11777	1	Inhibition of CB1, CB2 and A-Glucosidase by Kuwanon G and Albanin G Purified from Morus alba	The CB1 binding assay, described in Example 2, was used to test the Kuwanon G and Albanin G compounds isolated and identified in Example 5. The Kuwanon G Albanin G compounds were tested at concentrations ranging between 0.04 &#956;g/mL and 20 &#956;g/mL, to obtain a dose-response curve for each compound. The sample concentration was plotted against the percent inhibition and the IC50 (defined as the concentration at which 50% inhibition of binding activity is achieved in relation to the control) was determined. CB1 assay data for each compound are shown in Table 5.Inhibition of CB2 receptor-ligand binding activity of the purified Kuwanon G and Albanin G compounds was also examined using methods similar to those described in Example 2 for the CB1 receptor, with some modifications. Briefly, human cannabinoid CB2 receptor protein expressed in CHO-K1 cells were used in modified HEPES buffer (pH 7.0). A 30 &#956;g aliquot of CB2-membrane was mixed with tritium labeled nonspecific CB1 agonist [3H] WIN-55,212-2 (2.4 nM) and test samples of Kuwanon G and Albanin G compounds, or just the nonspecific ligand R (+)-WIN-55,212-2 (10 &#956;M) (positive control) were incubated in incubation buffer (20 mM HEPES (pH 7.0), 0.5 mg/ml BSA) for 90 minutes at 37° C. After incubation, the membranes were filtered and washed; the filters were then counted to determine the amount of radiolabeled [3H] WIN-55,212-2 that was specifically bound to the CB2-membrane.
11777	2	CB1 and CB2 Binding Inhibition by Compounds Purified from Milicia excelsa (African Teak)	The organic extract (8 g) from the stem barks of Milicia excelsa, obtained using the methods described in Example 1, was divided and loaded separately onto two pre-packed flash columns (120 g silica, particle size 32-60 &#956;m, 4 cm×19 cm), then the column was eluted with the gradient as described in Example 5. A Diels-Alder adduct of a chalcone and prenylphenyl moiety was isolated from one of the active fractions and identified as Sanggenon C/D/.
11778	1	GPR17 cAMP Assay Protocol	GPR17 cAMP Assay Protocol: CHO-K1 cells stably expressing vector containing untagged human GPR17 short isoform (Roche) were cultured at 37° C./5% CO2 in DMEM (Dulbecco&#39;s Modified Eagle Medium):F-12 (1:1) supplemented with 10% foetal bovine serum and 400 &#956;g/ml Geneticin. Changes in intracellular cyclic adenosine monophosphate (cAMP) levels were quantified using the Nano-TRF Detection Assay kit (Roche Diagnostics, Cat. No. 05214386001). This assay allows for direct cAMP quantification in a homogeneous solution, cAMP is detected based on time-resolved fluorescence energy transfer (TR-FRET) and competitive binding of ruthenylated cAMP and endogenous cAMP to an anti-cAMP monoclonal antibody labeled with AlexaFluor-700. The Ruthenium complex serves as the FRET donor and transfers energy to AlexaFluor-700. The FRET signal is inversely proportional to the cAMP concentration. CHO-GPR17S cells were detached with Accutase and resuspended in assay buffer consisting of Hank&#39;s Balanced Salt Solution (HBSS), 10 mM HEPES (4-(2-hydroxyethyl) piperazine-1-ethanesulfonic acid solution) and 0.1% bovine serum albumin (pH 7.4). The cells were seeded in black 384-well plates (Corning) at a density of 10,000 cells/20 &#956;l assay buffer until the addition of compounds.
11779	1	Biochemical Assay	384-well (Greiner #784075) (or 1536-well [Greiner #782075]) plates containing 60 nl (or 20 nl for 1536-well) of compound in 100% DMSO (10 concentrations serially diluted 3.16-fold) were prepared. Two copies of plates were used one for the GCN2 assay and a second for an artifact plate. Working reagents were prepared as follows reaction buffer: Tris pH 7.5 20 mM, MgCl2 5 mM, DTT 1 mM, Brij-35 0.005%, EGTA 0.5 mM in water; 2 enzyme solution: GCN2 (produced in-house) 1.6 nM in reaction buffer; 2 substrate solution: GFP-eIFS1 (Thermo Fisher Scientific, PV4809) 50 nM, ATP 0.2 mM, tRNA 0.4 mg/ml in reaction buffer; p-GFP-eIF2S1 (artifact) solution: p-GFP-eIFS1 (produced by incubation of 100 nM GFP-eIF2S1 in reaction buffer with 100 uM ATP and 1 nM PERK KD enzyme for 3 hr at room temperature) 2 nM in reaction buffer; 3 stop/antibody solution: p-GFP-EIF2S1 Th-Ab (Thermo Fisher Scientific, PV4816) 6 nM, AZ13933939 3 uM, BSA 3% in reaction buffer. Reagents were loaded onto a liquid dispenser (Certus FLEX, Trajan Scientific and Medical), and 3 ul (1 ul for 1536-well) of 2 enzyme solution, followed by 3 ul (1 ul for 1536-well) of 2 substrate solution was added to the plates. When small numbers of plates were processed, the enzyme solution was added first to all plates, then the valve used for the substrate solution was primed immediately prior to use. Plates were tapped or spun 1 min/1K/RT to ensure proper mixing, followed by incubation at room temperature for 70 mins, covered/stacked in the dark.
11780	1	In Vitro SIK2 Kinase Assay	Assays were performed in base reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). Compounds were dissolved in 100% DMSO in a 10 mM stock. Serial dilution was conducted by Integra Viaflo Assist in DMSO. Recombinant SIK2 was used at a concentration of 2.5 nM. The substrate used was pAMARA at a concentration of 0.2 mg/mL. Kinase assays were supplemented with 2 mM Mn2+, and 1 &#956;M ATP was added. Assays were performed for 20 minutes at room temperature, after which time 33P-ATP (10 &#956;Ci/&#956;L) was added followed by incubation for another 120 minutes at room temperature. Thereafter, radioactivity incorporated into the pEY peptide substrate was detected by filter-binding method. Kinase activity data were expressed as the percent remaining kinase activity in test samples compared to DMSO reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
11781	1	Measurement of Human IRAK-4 Inhibitory Activity	For the measurement of the activity of the human IRAK-4 (Invitrogen, Cat. PV3362), phosphorylation of the IRAK-4 peptide substrate (biotin-KKKKRFSFKKSFKC) by the enzyme in the presence of 10 &#956;M ATP (Sigma-Aldrich, Cat. A7699) was measured by the TR-FRET method. The enzymatic reaction was performed in a reaction buffer containing 50 mM HEPES (pH 7.2), 1 mM DTT, 0.1 mM Na3VO4, 5 mM MgCl2, 1 mM MnCl2, and 0.1% bovine serum albumin. For the measurement of the IRAK-4 inhibitory activity, a test compound was added to the reaction buffer containing 1 nM IRAK-4, 0.5 &#956;M peptide substrate, and 10 &#956;M ATP, and the mixture was incubated at 23° C. for 30 minutes. Then, a detection solution containing an antibody labeled with europium cryptate (0.3 &#956;g/mL, the antibody was prepared by using the IRAK-4 peptide substrate as the antigen), streptavidin-XL665 (2 &#956;g/mL, CisBio, Cat. 610SAXLB), 50 mM HEPES (pH 7.2), 0.1% BSA, 120 mM KF, and 66.7 mM EDTA (all the concentrations of the reagents are final concentrations) was added to terminate the reaction, and then the mixture was further incubated at 23° C. for 60 minutes. 
11782	1	ATR Enzyme Assay	In this experiment, the phosphorylation level of substrate protein P53 (Eurofins, 14-952) was detected by HTRF technology to measure the activity of ATR/ATRIP (Eurofins, 14-953) kinase. Reaction buffer (25 mM HEPES pH 8.0, 0.01% Brij-35, 1% Glycerol, 5 mM DTT, 1 mg/mL BSA), termination buffer (12.5 mM HEPES pH 8.0, 0.005% Brij-35, 0.5% Glycerol, 250 mM EDTA) and assay buffer (50 mM HEPES pH 7.0, 150 mM NaCl, 267 mM KF, 0.1% sodium cholate, 0.01% Tween 20) were prepared in advance. ATR/ATRIP was diluted with reaction buffer to a working solution of 2 ng/&#956;L, and the substrate protein P53 was diluted with reaction buffer to a working solution of 80 nM, and 4 nM of ATP (Sigma, A2383) working solution (containing 40 mM MnCl2) was prepared with reaction buffer. The compound was 3-fold diluted with DMSO, then diluted with reaction buffer into a working solution, then added to a 384-well plate at 2.5 &#956;L/well, and centrifuged at 1500 rpm for 40 s. Then 2.5 &#956;L of ATR/ATRIP working solution, P53 working solution and ATP working solution were added into the 384-well plate, centrifuged at 1500 rpm for 40 s and reacted at room temperature for 30 minutes. 
11783	1	In Vitro DGK&#945; and DGK&#950; Inhibition Assay	The DGK&#945; and DGK&#950; biochemical reactions were performed using His-tagged human recombinant enzymes (Signal Chem, DGK&#945;, #D21-10BH; DGK&#950;, #D30-10H)) and DLG (Dilauroyl-sn-glycerol) lipid substrate (Signal Chem, #D430-59). ADP-Glo assay was performed using ADP-Glo kinase Assay kit (Promega, #V9104). The reactions were carried out in assay buffer containing 40 mM Tris, pH 7.5, 0.1% CHAPS, 0.1% Prionex, 40 mM NaCl, 5 mM MgCl2, 1 mM CaCl2, and 1 mM DTT. DGK&#945; reactions contained 0.1 nM DGK&#945;, 50 &#956;M ATP, and 20 &#956;M DLG. And DGK&#950; reactions contained 0.4 nM DGK&#950;, 30 &#956;M ATP, and 20 &#956;M DLG.For compound inhibition studies, 40 nL test compound in DMSO was added to wells of white polystyrene plates in 384-well (Greiner, #784075) or 1536-well format (Greiner, #782075). Compounds were added with top concentration of 2 mM with 11 point, 3-fold dilution series. Enzyme solution (contains 2 DGK enzyme concentration in 1 assay buffer) was added to the plate in 2 &#956;L/well volume, followed by 2 &#956;L/well of substrate solution (contains 2 concentration of ATP and DLG substrate in 1 assay buffer). Plates were then centrifuged for 1 min at 1200 RPM and sealed or lidded. For 4 &#956;L reaction volume, test compounds were therefore diluted 100 to final top concentration of 20 &#956;M. After 90 minute incubation, reactions were quenched by addition of 2 &#956;L/well Promega ADP-Glo Reagent, followed by centrifugation and lidding. 
11784	1	 Inhibitory Activity of the Compounds of the Invention Against ROS1, NTRK and ALK and their Drug-Resistant Kinases	Inhibition of protein kinase activity by compounds was carried out on the Radio-tagged HotSpot kinase experimental platform of Reaction Biology Corporation. Fresh reaction solution (20 mM TIEPESpH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 100 DMS0) containing corresponding substrates was prepared, cofactor and kinase to be tested were added into the above solution and mixed gently. Echo550 pipetting system was used to add the test compound DMSO solution to each well (the blank control group was added with the corresponding volume of DMSO), then 33P-ATP (with a final specific activity of 0.01 &#956;Ci/&#956;L) was added to start the reaction. The reaction solution was incubated at room temperature for 120 minutes. Transferred the incubated reaction solution to P81 ion exchange chromatographic paper (Whatman #3698-915), eluted with 0.7500 phosphoric acid solution, and the amount of radioactive phosphorylated substrate remaining on the chromatographic paper was detected.
11785	1	RIPK1-ADP-Glo Enzymatic Assay	In this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 30 nL of compound (1% DMSO in final assay volume of 3 &#956;L) was dispensed, followed by the addition of 2 &#956;L of 1× assay buffer (25 mM Hepes 7.3, 20 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.005% Tween20, and 0.02% BSA) containing 37.5 nM of GST-RIPK1 (recombinant GST-RIPK1 kinase domain (residues 1-327) enzyme produced from baculovirus-transfected Sf21 cells: MW 62 kDa). Plates were placed in an ambient temperature humidified chamber for a 30 min pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 1 &#956;L 1× assay buffer containing 900 &#956;M ATP and 3 &#956;M dephosphorylated-MBP substrate. The final reaction in each well of 3 &#956;L consists of 25 nM of GST-RIPK1, 300 &#956;M ATP, and 3 &#956;M dephosphorylated-MBP. Kinase reactions were allowed to proceed for 150 min prior to adding ADP-Glo reagents per Promega&#39;s outlined kit protocol. 
11786	1	KRAS WT Biochemical Assay	Biochemical compound potencies are assessed by evaluating inhibition of SOS1-mediated nucleotide exchange in KRAS WT. In this assay, the SOS1-promoted exchange of fluorescently-labeled GDP (BOPIDY-GDP) is monitored by time-resolved fluorescence resonance energy transfer (TR-FRET). Compounds solubilized in DMSO are dispensed as concentration series into 384-well white assay plates. A preformed complex of 0.06 nM biotin-tagged recombinant human KRAS WT, 15 nM GDP and 0.06 nM terbium-labeled streptavidin (CisBIO) prepared in 10 uL/well assay buffer (20 mM HEPES, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 0.01% Tween-20 and 1 mM dithiothreitol) is added and allowed to incubate for 10-minutes at room temperature. The reaction is initiated with the addition of 5 uL 300 nM recombinant human SOS1 and 300 nM BODIPY-GDP in assay buffer. After a 120-minute incubation, the fluorescence is measured with excitation at 337 nm and emission at 490 and 520 nm. 
11786	2	KRAS G12D LoEnz Biochemical Assay	Biochemical compound potencies are assessed by evaluating inhibition of SOS1I-mediated nucleotide exchange in KRAS G121D. In this assay, the SOS1-promoted exchange of fluorescently-labeled GDP (BOPIDY-GDP) is monitored by time-resolved fluorescence resonance energy transfer (TR-FRET). Compounds solubilized in DMS0 are dispensed as concentration series into 384-well white assay plates. A preformed complex of biotin-tagged recombinant human KRAS (0.06 nM mutant G1 2D) and 0.06 nM terbium-labeled streptavidin (CisBIO) prepared in 10 uL/well assay buffer (20 mM HEPES, pH 7.5, 50 mM NaCl, 10 mMMMgCl2, 0.0100 Tween-20 and 1 mM dithiothreitol) is added and allowed to incubate for 10-minutes at room temperature. The reaction is initiated with the addition of 5 uL 300 nM recombinant human SOS1 and 300 nM BODIPY-GDP in assay buffer. After a 120-minute incubation, the fluorescence is measured with excitation at 337 nm and emission at 490 and 520 nm. The TR-FRET ratio is determined as the fluorescence at 520 nm divided by the fluorescence at 490 nm multiplied by 10,000. The results are normalized to percent inhibition based on control samples: DMSO (0% inhibition) and control compound at a concentration that inhibits completely (100% inhibition). 
11787	1	HPK1 Kinase Assay (Biochemical Assay)	A recombinant fusion protein consisting of full-length human HPK1 (MAP4K1) with an N-terminal Glutatione S-transferase (GST) tag was produced in insect cells Sf21 using the baculovirus expression system. GST-HPK1 protein was purified from cell lysates by glutathione Sepharose affinity chromatography. The assay is run in three continuous steps: 1) the HPK1 enzymatic kinase reaction, 2) an ATP depletion, and 3) the ADP detection, the steps 2 and 3 are performed with ADP-Glo Kinase Assay kit from Promega (V9101). Test compounds were prepared by 10-point serial dilution in dimethyl sulfoxide (DMSO) and 100 nL of each dilution was spotted onto a 384-well Optiplate (Perkin Elmer and Cat #6007299) by Labcyte Echo. 5 &#956;L kinase reaction buffer (0.02% Brij-35, 2 mM DTT, 50 mM HEPES pH 7.5, MgCl2 10 mM, BSA 0.01% and O-glycerophosphate 12.5 mM) containing HPK1 (3.2 nM) enzyme was transferred to each well and incubated for 15 minutes at room temperature at 60% humidity. The enzymatic reaction was started by adding 5 &#956;l of Start-Mix (10 &#956;M ATP and 3.235 &#956;M MBP). After 120 minutes, the reaction was stopped by adding 5 &#956;L of ADP-Glo reagent (Promega, V9101) and incubating for 40 min. in the dark at 23 C. To determine the level of ADP, 10 &#956;l ADP-Glo Detection solution was added and incubated for 1 hour at 23 C. in the dark. The plate was transferred to a Perkin Elmer EnVision (2104 Multilabel Reader) for luminescence detection and percent inhibition activity and IC50 value were determined using Genedata Screener.
11788	1	Biochemical Assay	Table A: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM Tris/HCl pH 7.4; 100 mM sodium chloride solution; 5 mM of calcium chloride solution; 0.1% of bovine serum albumin) and 20 &#956;l of plasma kallikrein from Kordia (0.6 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the substrate H-Pro-Phe-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships. 
11788	2	Biochemical Assay	Table B: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 &#956;M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulphoxide instead of test substance in dimethyl sulphoxide), and IC50 values are calculated from the concentration/activity relationships.
11789	1	DNAPK Enzyme Potency Assay (DNA-PK Enz)	The inhibitory activity of compounds against DNAPK was determined by TR-FRET measuring a fluorescent labelled peptide substrate converting to a phosphorylated product. Fluorescently tagged peptide substrate were purchased from Thermo Fisher Scientific. 12 point half-log compound concentration-response curves, with a top concentration of 100 &#956;M were generated from 10 mM stocks of compound solubilised in DMSO using an Echo 555 (Labcyte Inc., Sunnyvale, CA). All assays were preformed in white Greiner 1536 well low volume plates (Greiner Bio-One, UK), in a total reaction volume of 3 &#956;L and 1% (v/v) final DMSO concentration. Enzymes and substrates were added separately to the compound plates and incubated at room temperature. The kinase reaction was then quenched by the addition of 3 &#956;L of stop buffer. Stopped assay plates were read using a BMG Pherastar. IC50 values were calculated using a Genedata Screener software (Genedata, Inc., Basel, Switzerland).Full length human DNAPK protein was purified from HeLa cell extract by ion exchange. Initially DNAPK protein was incubated with compound for 30 minutes at room temperature in reaction buffer (50 mM Hepes pH 7.5, 0.01% Brij-35, 10 mM MgCl2, 1 mM EGTA, 1 mM DTT, 2 g/mL Calf Thymus DNA). The reaction was then initiated by the addition of ATP and fluorescently tagged peptide substrate (Fluorescein-EPPLSQEAFADLWKK, Thermo Fisher Scientific). The kinase reaction (18 &#956;M ATP, 35 pM DNAPK, 1.6 &#956;M peptide substrate) was quenched after 40 minutes by the addition of 3 &#956;L of stop buffer (20 mM Tris pH7.5, 0.02% sodium azide, 0.01% Nonidet-P40, 20 m EDTA, 4 nM Tb anti-phospho-p53 [Ser15] Antibody. The reaction was incubated for a further hour and the plates were read on a BMG Pherastar.
11789	2	TTK Enzyme Assay	The inhibitory activity of compounds against TTK was determined in a LanthaScreen Eu Kinase Binding assay run by ThermoFisher Scientific as part of their SelectScreen Biochemical Kinase Profiling Service. The LanthaScreen Eu Kinase Binding assay format uses binding of an Alexa Fluor conjugate or tracer to a kinase, which is detected by addition of a Eu-labeled anti-tag antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. The degree of FRET measured in the assay is used to determine the binding of a compound.10 point three-fold dilution compound concentration-response curves, with a top concentration of 10 &#956;M were generated from 10 mM stocks of compound solubilised in DMSO. All assays were performed in white, low volume Greiner 384-well plates (cat. #784207, Greiner), in a total reaction volume of 16 &#956;L and 1% (v/v) final DMSO concentration. 3.84 &#956;L Kinase Buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8 &#956;L 2 Kinase/Antibody mixture (final concentrations 5 nM TTK, 2 nM Eu-anti-GST, prepared in Kinase Buffer) and 4 &#956;L 4 AlexaFluor labeled Tracer Solution (final concentrations 30 nM Tracer 236, prepared in Kinase Buffer) were added separately to the compound plates, placed on a plate shaker for 30 sec, and then incubated for 60 mins at room temperature. Plates were then read using a fluorescence plate reader. IC50 values were calculated using XLfit software (IDBS Ltd, Surrey, UK), with the curve fit to model number 205 (sigmoidal dose-response model).
11789	3	Enzyme Assay	JAK1: The 2×JAK/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 6.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.02% NaN3. The final 10 &#956;L Kinase Reaction consisted of 74 nM JAK, 2 &#956;M Tyr 06 and 75 &#956;M ATP (Km app measured as 87 &#956;M ATP) in 50 mM HEPES pH 7.0, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, 0.01% NaN3. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent was added.
11789	4	Enzyme Assay	JAK2: The 2×JAK2/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consisted of 0.27 nM JAK2, 2 &#956;M Tyr 06 and 25 &#956;M ATP (Km app measured as 31 &#956;M ATP) in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent was added.
11789	5	Enzyme Assay	JAK3: The 2×JAK3/Tyr 06 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5. 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consisted of 2.4 nM JAK3, 2 &#956;M Tyr 06 and 10 &#956;M ATP (Km app measured as 14 &#956;M ATP) in 50 mM HEPES pH 7.5, 0.0100BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:128 dilution of Development Reagent was added.
11789	7	Enzyme Assay	Aurora B (AurB): The 2×AURKB (Aurora B)/Ser/Thr 01 (ThermoFisher Scientific proprietary) mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 &#956;L Kinase Reaction consisted of 23 nM AURKB (Aurora B), 2 &#956;M Ser/Thr 01 and 75 &#956;M ATP (Km app measured as 81 &#956;M ATP) in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 &#956;L of a 1:4096 dilution of Development Reagent was added.
11790	1	MIF Enzymatic Assay	Assays were performed in small-volume clear-bottom black 96 or 384-well polystyrene plates (Greiner Bio-One). First, 2 &#956;L of the enzyme solution containing 6 nM of MIF in DPBS, 0.025% w/v BSA, and 300 &#956;M CHAPS was dispensed onto sample and negative control wells using Multidrop Combi with metallic tip cassettes (Thermo Fisher Scientific) previously treated with Sigmacote. Then, 2 &#956;L of the same buffer without MIF was dispensed onto positive control wells. The reaction was started by addition of the following to all wells: 2 &#956;L of substrate solution containing 3 mM ketonic pHPP in 200 mM boric acid, 25 mM sodium phosphate, 0.025% w/v BSA, and 300 &#956;M CHAPS at pH 6.0. In order to remove bubbles, the plate was centrifuged in an Allegra 25R centrifuge (Beckman Coulter, Inc., Brea, CA) at 1000 rpm for 2 min at room temperature. Then, the plate was read in an EnVision. Final concentrations of enzyme and substrate were 3 nM and 1.5 mM, respectively. Initial rates were calculated for each well as the slope of the absorbance progress curve.
11791	1	Fluorescence Polarization (FP) Assays	To identify small molecule BCL6 inhibitors, we developed a Fluorescence Polarization (FP) assay to assess the ability of ligands to compete with a fluorescently tagged SMRT-based peptide for BCL6-BTB binding. The lower limit of this assay was 1 uM and was primarily used as a filter for compounds prior to our secondary assays.
11791	2	Surface Plasmon Resonance (SPR) assay	We used a more sensitive Surface Plasmon Resonance (SPR) assay to quantitate the direct binding affinity of ligands to purified BCL6-BTB dimer.
11792	1	Human whole blood IRAK4 degradation flow assay	Whole blood was collected in heparinized tubes and plated on the same day as draw (day 0). Whole blood was aliquoted into deep well plates. Compound plates were prepared and a 10 point, 5-fold dilution was performed with a final DMSO concentration of 0.1%. Compound was added to whole blood deep well plate, sealed and incubated at 37° C., 5% CO2 for 20 hours (for 4 hour treatment, compounds were prepared and added the following day). Following the treatment incubation period (day 1), BD lyse fix (BD #558049) was added to the whole blood plate, placed on plate shaker for 30 seconds and incubated for 10 mins at room temperature. Whole blood was then spun down and washed two times with PBS/0.5% BSA, aspirated to pellet and placed into &#8722;80° C. freezer until further processing for flow. On the flow run day, whole blood plates were thawed and samples were transferred to PCR plates. The pre-perm staining cocktail (CD3 Ax488/CD8 BUV805/CD14 BUV395/CD16/56 BV711/CD19 BV785) was added to samples and incubated for 30 minutes at room temperature. Samples were washed two times and permeabilized with Methanol for 10 minutes at 4° C. Samples were washed two times and the post-perm staining cocktail (CD4 PE/IRAK4 Ax647 BD #560315) was added and incubated for 30 minutes at room temperature. Samples were washed two times with PBS/BSA and run on a BD LSRFortessa. Mononuclear cells are gated by SSCH/FSCH and single cells. Monocytes are then gated through CD14 positive gate and lymphocytes are gated through CD14 negative gate. To determine absolute DC50 and max degradation values, MFI values were normalized to DMSO max and 20 hour 10 &#956;M min control. Twenty hour dose curves were calculated using a 4 parameter logistic regression curve fit, no constraints (Top doses were removed if hook effects were observed and the bottom was constrained to 0).
11793	1	SARS-CoV-2 Immunofluorescence Assay 1	Vero E6 cells derived from BCRC #60476 (Bioresource Collection and Research Center, Hsinchu, Taiwan) were treated with each compound at an indicated concentration for 1 hour at 37 C. The cells were adsorbed with SARS-CoV-2 viruses (TCDC #4, National Taiwan University, Taipei, Taiwan, ROC) at multiplicity of infection ( MOI ) of 0.01 for 1 hour at 37 C. After virus adsorption, the cells were washed with phosphate-buffered saline ( PBS ). A fresh medium containing the compound was added at an indicated concentration. The resultant mixture was incubated for 2 days. The cells were fixed with 4% paraformaldehyde and permeabilized with a 0.5% Triton X-100 detergent solution (Thermo Fisher Scientific, Waltham, MA). Subsequently, they were stained with an anti-SARS-CoV-2 N protein antibody and anti-human IgG-488 (in green). The nuclei of the cells were counter stained with 4&#8242;,6-diamidino-2-phenylindole ( DAPI , Thermo Fisher Scientific, MA, USA). The N protein expression was measured using a high-content image analysis system (Molecular Devices, San Jose, CA). The cell viability was determined by Cell Counting Kit-8 (Sigma-Aldrich, St. Louis, MO) EC50 and CC50 values were calculated by Prism software.
11793	2	SARS-CoV-2 Immunofluorescence Assay 2	Vero E6 cells derived from BCRC #60476 (Bioresource Collection and Research Center, Hsinchu, Taiwan) were treated with each compound at an indicated concentration for 1 hour at 37 C. The cells were adsorbed with SARS-CoV-2 viruses (TCDC #4, National Taiwan University, Taipei, Taiwan, ROC) at multiplicity of infection ( MOI ) of 0.01 for 1 hour at 37 C. After virus adsorption, the cells were washed with phosphate-buffered saline ( PBS ). A fresh medium containing the compound was added at an indicated concentration. The resultant mixture was incubated for 2 days. The cells were fixed with 4% paraformaldehyde and permeabilized with a 0.5% Triton X-100 detergent solution (Thermo Fisher Scientific, Waltham, MA). Subsequently, they were stained with an anti-SARS-CoV-2 N protein antibody and anti-human IgG-488 (in green). The nuclei of the cells were counter stained with 4&#8242;,6-diamidino-2-phenylindole ( DAPI , Thermo Fisher Scientific, MA, USA). The N protein expression was measured using a high-content image analysis system (Molecular Devices, San Jose, CA). The cell viability was determined by Cell Counting Kit-8 (Sigma-Aldrich, St. Louis, MO) EC50 and CC50 values were calculated by Prism software.
11793	3	SARS-CoV-2 Plaque Assay 1	The assay was performed in triplicate in 24-well tissue culture plates. Vero E6 cells were seeded in Dulbecco&#39;s modified Eagle&#39;s medium ( DMEM ) with 10% Fetal Bovine Serum ( FBS , Biological Industries, Kibbutz, Israel) and antibiotics one day before infection. SARS-CoV-2 viruses were added to the cell monolayer and allowed to sit for 1 hour at 37 C. After viruses were removed, the cell monolayer was washed once with PBS before covering with media containing agarose or methylcellulose for 5-7 days. The cells were fixed with 3.7% formaldehyde overnight followed by removal of overlay media. They were then stained with crystal violet to count the plaque-forming units ( PFU ). The percentage of inhibition was calculated as [1&#8722;(VD/VC)] 100%, where VD and VC refer to the virus titer in the presence and absence of a test compound, respectively.
11793	4	SARS-CoV-2 Plaque Assay 2	The assay was performed in triplicate in 24-well tissue culture plates. Vero E6 cells were seeded in Dulbecco&#39;s modified Eagle&#39;s medium ( DMEM ) with 10% Fetal Bovine Serum ( FBS , Biological Industries, Kibbutz, Israel) and antibiotics one day before infection. SARS-CoV-2 viruses were added to the cell monolayer and allowed to sit for 1 hour at 37 C. After viruses were removed, the cell monolayer was washed once with PBS before covering with media containing agarose or methylcellulose for 5-7 days. The cells were fixed with 3.7% formaldehyde overnight followed by removal of overlay media. They were then stained with crystal violet to count the plaque-forming units ( PFU ). The percentage of inhibition was calculated as [1&#8722;(VD/VC)] 100%, where VD and VC refer to the virus titer in the presence and absence of a test compound, respectively.
11793	5	Inhibition Assay of HCoV-OC43	Human colon adenocarcinoma cell line HCT-8 (ATCC@ CCL-244, American Type Culture Collection, Manassas, VA, USA) was obtained from American Type Culture Collection (&#147;ATCC&#148;). It was established as stock at early passage to ensure cell line-specific characteristics. HCoV-OC43 viruses (ATCC@VR1558&#153;, American Type Culture Collection, Manassas, VA, USA) were grown and propagated in HCT-8 cells cultured with DMEM and 2% FBS (Biological Industries, Kibbutz, Israel). The cells were seeded in a 96-well plate and then cultured in a DMEM medium containing 2% FBS. Subsequently, they were pretreated with one of Compounds 1-6 at one of five predetermined concentrations in a 5-fold dilution for 1 hour prior to HCoV-OC43 virus infection at an MOI of 0.05. The resultant supernatant at the 72 d.p.i. were subjected to an end-point assay and a TCID50 determination after 6 days to measure viral-yield inhibition. The cells (72 d.p.i.) were fixed with 80% acetone and were analyzed by an IFA assay using an antibody against HCoV-OC43 N protein. EC50 were determined accordingly. The viabilities of HCT-8 cells were also studied using CellTiter 96 AQueous Non-Radioactive Cell Proliferation Assay kit (&#147;MTS&#148;) (Promega, Madison, WI, USA). CC50 values were calculated. In addition, to demonstrate the cytopathic effect of HCT-8 infected by HCoV-OC43 at an MOI of 0.05, the cells thus treated were stained with crystal violet after fixation at 6 d.p.i.
11793	6	Inhibition Assay of HCoV-229E Viruses	HCoV-229E viral genome replication was examined by RT-PCR with specific primers against its open reading frame 1 (&#147;ORF1&#148;) and ORF nucleocapsid (&#147;ORFN&#148;). See Yang et al., Front. Pharmacol. 11, Article 606097 (2020). Fetus lung fibroblast MRC5 cells were inoculated with the HCoV-229E virus at a MOI of 1. The MRC5 cells thus infected were treated with one of Compounds 1-3. Untreated MRC5 cells were used as a control sample. RT-PCR analysis was performed. Compounds 1-3 each inhibited HCoV-229E viral genome replication and subgenomic viral RNA syntheses at a concentration between 10 nM and 300 nM. Cytopathic effects were studied and visualized after the infected cells were treated with one of Compounds 1-3. An end point assay by TCID50 was performed. Crystal violet was used to stain live cells to determine the EC50 of each compound.
11793	7	Inhibition Assay of Zika virus	Vero E6 cells (BCRC #60476, Bioresource Collection and Research Center, Hsinchu, Taiwan) were treated with one of Compounds 1-9 at a predetermined concentration for 1 hour at 37° C. The cells were adsorbed with Zika virus (ATCC VR-1843, American Type Culture Collection, Manassas, VA, USA) at MOI=0.02 for 49 hours at 37° C. The cells were fixed with 10% formalin, permeabilized with methanol. The cells were stained with anti-flavivirus E antibody (ATCC HB-112, American Type Culture Collection, Manassas, VA, USA) and anti-mouse IgG-FITC (MP Biomedicals, Irvine, CA, USA). The nuclei were counter stained with DAPI (in blue) (Thermo Fisher Scientific, MA, USA). The E protein expression was measured using a high-content image analysis system (Molecular Devices). The cell viability was determined by MTS. Both EC50 and CC50 were cal
11793	8	Inhibition Assay of Dengue Virus	Vero E6 cells (BCRC #60476, Bioresource Collection and Research Center, Hsinchu, Taiwan) were treated with one of Compounds 1-9 at a predetermined concentration for 1 hour at 37° C. The cells were infected with Dengue virus type 1 (&#147;DV1&#148;, ATCC VR-1856, American Type Culture Collection, Manassas, VA, USA) at MOI=0.002 or Dengue virus type 2 (&#147;DV2&#148;, ATCC VR-1584, American Type Culture Collection, Manassas, VA, USA) at MOI=0.02, both for 5 days at 33° C. They were then fixed with 10% formalin and permeabilized with methanol. Subsequently, the cells were stained with anti-flavivirus E antibody (ATCC HB-112, American Type Culture Collection, Manassas, VA, USA) and anti-mouse IgG-FITC (MP Biomedicals, Irvine, CA, USA). The nuclei of the cells were counter stained with DAPI (Thermo Fisher Scientific, MA, USA). The E protein expression was measured by using a high-content image analysis system (Molecular Devices). The cell viability was determined by MTS. EC50 and CC50 were calculated by Prism software.
11794	1	Assay for Inhibition of CDK4/CyclinD1	The CDK4 enzyme assay for IC50 determination was performed as follows. Microfluidic kinase detection technology (Caliper) was used to monitor the phosphorylation of peptide substrate by CDK4/CyclinD1. The total reaction volume was 15 &#956;L containing buffer A (100 mM HEPES (pH 7.5), 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 10 mM MgCl2, 10 &#956;M Sodium Orthovanadate, 10 &#956;M Beta-Glycerophosphate), 200 &#956;M ATP, 1 nM CDK4/CyclinD1 (Thermofisher, PR8064A), 1 &#956;M FL-34 (5-FAM-RRRFRPASPLRGPPK), and the test compound at appropriate dilutions in DMSO. All components were added to the 384-well plate (Corning, 4514), and incubated at Room Temperature for 3 hours. The reaction was terminated by addition of 15 &#956;L Stop Buffer (180 mM HEPES (pH 7.5), 20 mM EDTA, Coating-3 reagent (PerkinElmer, 760050)). The plate was then loaded on Caliper EZ Reader (EZ Reader II, PerkinElmer, HD-4HYSG2772), and the reaction mixtures including substrate and product were sipped into the microfluidic chip for separation and detection. The IC50 values of the test compound were determined by fitting the inhibition curves by 4 parameter sigmoidal dose-response model using the Xlfit5/GraphPad Prism 5 software.
11794	2	Assay for Inhibition of CDK6/CyclinD3	The CDK6 enzyme assay for IC50 determination was performed as follows. Microfluidic kinase detection technology (Caliper) was used to monitor the phosphorylation of peptide substrate by CDK6/CyclinD3. The total reaction volume is 15 &#956;L containing buffer A (100 mM HEPES (pH 7.5), 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 10 mM MgCl2, 10 &#956;M Sodium Orthovanadate, 10 &#956;M Beta-Glycerophosphate), 300 &#956;M ATP, 2 nM CDK6/CyclinD3 (Carna, 04-107), 1 &#956;M FL-34 (5-FAM-RRRFRPASPLRGPPK), and the test compound at appropriate dilutions in DMSO. All components were added to the 384-well plate (Corning, 4514), and incubated at Room Temperature for 3 hours. The reaction was terminated by addition of 15 &#956;L Stop Buffer (180 mM HEPES (pH 7.5), 20 mM EDTA, Coating-3 reagent (PerkinElmer, 760050)). The plate was then loaded on Caliper EZ Reader (EZ Reader II, PerkinElmer, HD-4HYSG2772), and the reaction mixtures including substrate and product were sipped into the microfluidic chip for separation and detection. The IC50 values of the test compound were determined by fitting the inhibition curves by 4 parameter sigmoidal dose-response model using the Xlfit5/GraphPad Prism 5 software.
11794	3	Assay for Inhibition of CDK2/CyclinE1	The CDK2 enzyme assay for IC50 determination was performed as follows. Microfluidic kinase detection technology (Caliper) was used to monitor the phosphorylation of peptide substrate by CDK2/CyclinE1. The total reaction volume was 15 &#956;L containing buffer A (100 mM HEPES (pH 7.5), 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 10 mM MgCl2, 10 &#956;M Sodium Orthovanadate, 10 &#956;M Beta-Glycerophosphate), 100 &#956;M ATP, 5 nM CDK2/CyclinE1 (SignalChem, C29-18G), 5 &#956;M FL-18 (5-FAM-QSPKKG-NH2), and the test compound at appropriate dilutions in DMSO. All components were added to the 384-well plate (Corning, 4514), and incubate at Room Temperature for 3 hours. The reaction was terminated by addition of 15 &#956;L Stop Buffer (180 mM HEPES (pH 7.5), 20 mM EDTA, Coating-3 reagent (PerkinElmer, 760050)). The plate was loaded on Caliper EZ Reader (EZ Reader II, PerkinElmer, HD-4HYSG2772), and the reaction mixtures including substrate and product were sipped into the microfluidic chip for separation and detection. The IC50 values of the test compound were determined by fitting the inhibition curves by 4 parameter sigmoidal dose-response model using the Xlfit5/GraphPad Prism 5 software.
11795	1	HEK Reporter Assay	HEK293 reporter cells expressing human TLR7 or human TLR8 were purchased from Invivogen and vendor protocols were followed for cellular propagation and experimentation. Briefly, cells were grown to 80-85% confluence at 5% CO2 in DMEM supplemented with 10% FBS, Zeocin, and Blasticidin. Cells were then seeded in 96-well flat plates at 4×104 cells/well with substrate containing HEK detection medium and immunostimulatory molecules. Activity was measured using a plate reader at 620-655 nm wavelength. The 8-cyclyl-2-aminobenzazepine compounds of Tables 1a and 1b demonstrate the surprising and unexpected property of TLR8 agonist selectivity which may predict useful therapeutic activity to treat cancer and other disorders.
11796	1	Erythrocyte KCa3.1 Assay	Human blood was drawn from healthy human volunteers in a standard heparinized blood sampling vial (Vacutainer, Li/heparin, ED Bioscience, Plymouth, UK). The erythrocytes were packed by centrifugation, and the plasma and buffy coat were removed by aspiration. Erythrocytes were washed three times in the experimental salt solution and then stored at 0 C. until use. Blood samples from NMRI mice or from Wistar rats were treated similarly. The methodological principle is outlined in Macey et al. (1978) and further described in Str baek et al. (2013). Activation of the erythrocyte KCa3.1 channels were obtained by addition of the Ca2+ ionophore A23187, which causes synchronized hyperpolarization, which is reported as a CCCP-mediated shift in the unbuffered extracellular pH of the erythrocyte suspension. Standard procedure: 3 mL unbuffered experimental salt solution (in mM: 2 KCl, 154 NaCl, 0.05 CaCl2) was heated to 37 C. with stirring. Packed erythrocytes were added (50 &#956;L, final cytocrit 1.5%), and the extracellular pH (pHo) followed with a glass/calomel (pHG200-8/REF200, Radiometer, Denmark) electrode pair. CCCP (3 &#956;L, final concentration 20 &#956;M) was added followed by varying concentrations of test compounds (DMSO concentration constant). After pH stabilization at 7.2, A23187 (3 &#956;L, final concentration 0.33 &#956;M) was added to initiate the experiment. After the peak hyperpolarization was attained, the intracellular pH (pHi constant during the experiment) was found by haemolysing the erythrocytes via addition of 100 &#956;L of Triton-X100. 
11797	1	ENPP1 Inhibition Assay	Assay Buffer: 1 mM CaCl2), 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 8 mM Thymidine 5&#8242;-monophosphate p-nitrophenol ester sodium salt (Sigma Cat #T4510). Enzyme: 5 ng/L Recombinant Human ENPP-1 Protein (R&D Cat #6136-EN-010) in DMSO in 96-well clear assay plates. An eight point serial dilution of drugs was prepared in 10 in assay buffer with the final assay concentrations starting at 10 &#956;M, 3 &#956;M, 1 &#956;M, 0.3 &#956;M and 0 &#956;M. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 81 &#956;L assay buffer+10 &#956;L ENPP1 inhibitor or DMSO+5 &#956;L Substrate+4 &#956;L Enzyme. Both the enzyme and substrate was added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37 C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using the Envision. IC50 values are determined using GraphPad Prism 5 software. The data were entered as an X-Y plot into the software as percent inhibition for each concentration of the drug. The concentration values of the drug were log transformed and the nonlinear regression was carried out using the sigmoidal dose-response (variable slope) option within the GraphPad software to model the data and calculate IC50 values. The IC50 values reported are the concentration of drug at which 50% inhibition was reached.
11798	1	Evaluation of In Vitro Biological Activity	The antagonist property of the compounds disclosed herein was determined using the FLIPR (fluorescence imaging plate reader) method, showing that the compounds are inhibitors for the intracellular calcium increase induced by the activation of hP2X3 (human purinergic P2X receptor subtype 3, Accession No. NM_002559.4) expressed in HEK293 cells (human renal epithelial cell line, ATCC). HEK293 cells that stably express hP2X3 were cultured in DMEM high glucose medium containing 10% FBS (fetal bovine serum, Gibco, 10099-141), 1% penicillin-streptomycin (Gibco, 15140-122) and 1 mg/mL G418 (Invitrogen, 10131027) in a cell incubator at 37 C., 5% humidity. Cells at 400,000 cells/mL were seeded into a 384-well plate (10,000 cells/well) 18-24 h prior to the FLIPR experiment and then incubated overnight in a cell incubator. On the day of the experiment, the medium was discarded and the cells were washed in an FLIPR buffer (each 30 mL buffer contains 0.3 mL of probenecid (Thermo, P36400), 0.6 mL of 1 M HEPES (Invitrogen, 15630080) and 29.1 mL of HBSS (Invitrogen, 14065056)). Each well was added with 20 &#956;L of 0.5 Calcium 6 fluorescent dye (Molecular Devices, R8190) and then was subjected to dye-loading incubation at 37 C. for 1.5 h. Each well was added with 10 &#956;L of test compound (which was dissolved in DMSO at a concentration of 10 mM and serially diluted with buffer) or vehicle, and then was left to equilibrate for 30 min at room temperature. The cell plate was then placed in the FLIPR for baseline fluorescence measurements (excitation at 485 nm and emission at 525-535 nm). An agonist (BZ-ATP (Sigma, B6396) at a final concentration of 2.5 &#956;M) or a vehicle (ultrapure water) was then added at 10 &#956;L/well, fluorescence values were measured for 2 min at 1-second intervals, and finally the output fluorescence counts were analyzed.
11799	1	Antiviral Assay	To evaluate the anti-HSV activity of 1, 17 or Brequinar by plaque reduction assays (PRA), Vero cells were seeded in 24-well plates at a density of 70×103 cells. After 24 h, cells were treated with different concentrations of 17, 1 or Brequinar 1 h prior to infection, and then infected with HSV-1 or HSV-2 (50 PFU/well). Following virus adsorption (2 h at 37 C), cultures were maintained in medium-containing 0.8% methylcellulose (Sigma) plus compounds. At 48 h post infection (h.p.i.), cells were fixed and stained by using 20% ethanol and 1% crystal violet. Plaques were microscopically counted, and the mean plaque counts for each concentration expressed as a percentage of the mean plaque count for the control virus. The number of plaques was plotted as a function of drug concentration; concentration producing 50% reduction in plaque formation (EC 50) was determined as described by Terlizzi et al. (Antiviral Research 132, 154-164, 2016).
11799	2	hDHODH inhibition assay	The enzymatic inhibition assay was optimized for being performed on a 96 well plate and to achieve higher throughput. For each well of the plate a total volume of 200 &#956;L was used: 5 &#956;L of purified GST-hDHODH; 60 &#956;L of 2,6-dichloroindophenol (DCIP) 500 &#956;M; &#956;L of coenzyme Q10 enzyme 100 &#956;M; 20 &#956;L of dihydroorotate (DHO) 500 &#956;M; Tris-HCl pH8 up to a final volume of 200 &#956;L. Inhibitory activity was assessed by monitoring the reduction of DCIP, which is associated with the oxidation of dihydroorotate as catalysed by the DHODH enzyme. The enzyme was pre-incubated for 5 min at 37° C. in Tris-HCl pH8 with coenzyme Q10, with DCIP (50 &#956;M) and with the compounds to be tested used at different concentrations (final DMSO concentration 0.1% v/v). The reaction was initiated by the addition of DHO (500 &#956;M), and the absorbance kinetic reduction was monitored at &#955;=650 nm using a multi-plate reader (Tecan, M1000Pro). In order to assess the minimum and maximum absorbance values of the enzymatic reaction, a Min control value was obtained by measuring the absorbance without DHO. Similarly, a Max value was obtained by measuring the absorbance with DHO, but none inhibitor. A blank reduction calculation was also performed by measuring the absorbance values using 180 &#956;L of Tris-HCl and 20 &#956;L of coenzyme Q10. The Instrument was set to read the absorbance values every 10 s for a total read time of 10 minutes at 37° C. The initial rate was measured in the first 5 min (s=10 400 M-1 cm-1) and an IC50 value was calculated, n using GraphPad Prism 7 software
11800	1	CDK1/Cyclin B1 ADP-Glo Kinase Assay	The purpose of CDK1/Cyclin B1 assay is to evaluate the inhibition (% inhibition and IC50 values) of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK1/Cyclin B1 catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK1/Cyclin B1 was purchased from Carna (Cat 04-102). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 80 uM ATP (ATP Km=78.6 uM), 0.01% Brig-35, 0.75 uM substrate, and 4.917 nM CDK1/Cyclin B1 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90 minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
11800	2	CDK2/Cyclin E1 Full length ADP-Glo Kinase Assay	The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition and IC50 values) of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK2/Cyclin E1 full length catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK2/Cyclin E1 was purchased from Eurofins (Cat 14-475M). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 20 uM ATP (ATP Km=64.78 uM), 0.01% Brig-35, 0.75 uM substrate, and 0.328 nM wild-type full length CDK2/Cyclin E1 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90 minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
11800	3	CDK4/Cyclin D1 Mobility Shift Assay (MSA)	The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition and IC50 values) in the presence of small molecule inhibitors by using a fluorescence based microfluidic mobility shift assay. CDK4/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (Perkin Elmer Peptide 34). The mobility shift assay (MSA) electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured, and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (+/&#8722; inhibitor), 10 mM MgCl2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 0.2 mM ATP, 0.01% Brig-35, 1.5 uM 5-FAM-Dyrktide, 2.5 nM CDK4/Cyclin D1 in 50 mM HEPES buffer at pH 7.5. The reaction was initiated with the addition of substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 180 minutes by the addition of 75 uL of 500 mM EDTA and measured on a Perkin Elmer EZ reader instrument. IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
11800	4	CDK6/Cyclin D3 ADP-Glo Kinase Assay	The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition and IC50 values) in the presence of small molecule inhibitors by using a Luminescent based ADP-Glo assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to IP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity CDK6/Cyclin D3 was purchased from Carna. Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (±inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 100 uM ATP (ATP Km=291.7 uM), 0.01% Brig-35, 0.75 uM substrate, and 5 nM wild-type CDK6/Cyclin D3 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90-minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
11800	5	CDK4/Cyclin D1 CHEF Assay	The purpose of CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition and IC50 values) of small molecule inhibitors by using a Chelation-Enhance Fluorescence (CHEF) assay. In a CHEF assay, phosphorylation of a peptide substrate results in proportional increase in fluorescence. CHEF kinase assay use peptide substrates containing a synthetic alpha-amino acid with a side chain bearing an 8-hydroxyquinoline derivative (sulfonamido-oxide, Sox). Upon phosphorylation of a nearby serine, threonine or tyrosine and in the presence of Mg(II), the spectral properties of the Sox residue are altered, emitting 485 nm wavelength light when excited with a 360 nm wavelength light source. CDK4/Cyclin D1 catalyzes the phosphoryl transfer to the SOX-labeled substrate peptide AQT0258 from Assayquant Technologies. Typical reaction solutions contained 2% DMSO (+/&#8722; inhibitor), 10 mM MgCl2, 1 mM DTT, 200 uM ATP (ATP Km=195.2 uM), 0.012% Brig-35, 10 uM AQT0258 peptide, 0.02% BSA, 1% Glycerol, 0.55 mM EGTA, 2.5 nM CDK4/Cyclin D1 in 54 mM HEPES buffer at pH 7.5. The reaction was initiated with the addition of substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. Reactions were allowed to proceed for 3 hrs at 22° C., followed by fluorescence read of the reaction. The IC50 determinations were made from a plot of the fractional velocity as a function of inhibitor concentration fit to the 4 parameters IC50 equation.
11801	1	HSD17b13 NAD(P)H-Glo Biochemical Assay	HSD17b13 enzyme was diluted in 1× assay buffer to the desired enzyme concentration based on the specific activity of the enzyme lot. 20 uL of diluted enzyme was added to each well along with 2.5 uL of 10× inhibitor solution. Assay plate was incubated at RT for 20 minutes, and then 2.5 uL of a 10× substrate/cofactor mix was added to each well for a final concentration of 50 uM estradiol and 1 mMNAD+. Assay plate was incubated at 37° C. for 3 hours. NAD(P)H-Glo Detection System reagents were prepared according to manufacturer&#39;s specifications, and 25 uL was added to each well. After incubating for 1 hour at RT, luminescence was measured.
11802	1	Human P2X7 Channel Calcium-Influx Assay	Extracellular binding of Bz-ATP to P2X7 receptor opens the channel and allows Ca2+ influx into the cells. This Ca2+ entry was measured in HEK-293 cells stably transfected with P2X7 receptor using Screen Quest Fluo-8 No Wash Calcium Assay Kit (AAt Bioquest, cat. 36316). Once inside the cell, the lipophilic blocking groups of Fluo-8 are cleaved by non-specific cell esterases, resulting in a negatively-charged fluorescent dye that stays inside cells. Its fluorescence increases upon binding to calcium. When HEK-293/P2X7 cells are stimulated with Bz-ATP, Ca2+ enters the cells and the fluorescence of Fluo-8 NW increases. The dye has an absorption spectrum compatible with excitation at 488 nm by argon laser sources and its emission wavelength is in the range of 515-575 nm. HEK-293 cells stably transfected with P2X7 receptor were seeded overnight in growth medium at 10,000 to 20,000 cells/well in 384-well plate. 24 hours later, the medium was removed, and the cells were pre-loaded at RT for 1 hour with 20 &#956;L/w of Fluo-8 NW. Then 10 &#956;L/w of test compounds and reference antagonist A438079 at 3X-concentration were injected with the FLIPRTETRA and the kinetic response over a period of five minutes was monitored. A second injection of 15 &#956;L/w of 3 reference activator (Bz-ATP at EGO was performed with the FLIPRTETRA and the signal of the emitted fluorescence was recorded for additional three minutes. All the experiment was carried out in a Low Divalent Cation Assay Buffer (0.3 mM Ca2+ and 0 mM Mg2+). The effect of the test compounds was measured as percent inhibition vs the reference antagonist and IC50 values were calculated accordingly.
11803	1	TBD	TBD
11803	2	TBD	TBD
11804	1	Determination of the Effect of a SERCA Agonist on the Reduction of ER Stress	The administration of the test compound as a SERCA agonist led to improvement in ER function as evidenced by the expression protein markers of ER stress. Compounds A12 and C18 significantly reduced the phosphorylation of PKR-like ER kinase (PERK) and elF2&#945;. Dephosphorylation of PERK and elF2&#945; is indicative of alleviation of ER stress response. The test compounds also significantly reduced the expression of the pro-apoptotic transcription factor C/EBP homologous protein (CHOP), suggesting that the test compounds may also be involved in attenuation of ER stress-induced apoptosis.
11804	2	Determination of the Effect of a SERCA Agonist on the Reduction of CSR Stress	Assay is for cardiac SR.
11804	3	Determination of the Effect of a SERCA Agonist on the Reduction of SSR Stress	Assay is for skeletal SR.
11805	1	Inhibitory Action on Binding of BRD4 Protein and Ligand	The inhibitory action of the compound of the present invention on the binding of BRD4 protein and a ligand thereof (acetylated histone H4) was evaluated by the time-resolved fluorescence resonance energy transfer (TR-FRET) method using EPIgeneous Binding Domain Kit A (Cisbio), BRD4-1 (GST) (Reaction Biology Corp) and [Lys(Ac)5/8/12/16]-Histone H4(1-21)-GGK (Biotin) (Eurogentec). In this experiment, (+)-JQ1 (Nature volume 468, pages 1067-1073 (23 Dec. 2010)) known to have an inhibitory activity on the binding of BRD4 protein and acetylated histone H4 therefor was used as a positive control drug. A test compound dissolved in DMSO was diluted with attached Diluent Buffer, added to a 384 well white plate, and BRD4-1 (GST) and [Lys(Ac)5/8/12/16]-Histone H4(1-21)-GGK (Biotin) were further added. Thereafter, Streptavidin-d2 conjugate and Anti-GST-Eu3+ Cryptate Conjugate were added and the cells were incubated at room temperature for 3 hr. The binding amount of the BRD4 protein and acetylated histone H4 was measured as the fluorescence intensity (excitation: 314 nm/emission: 620 nm and excitation: 314 nm/emission: 665 nm). The BRD4 protein inhibitory activity of the compound of the present invention is shown in IC50 value (concentration of compound that inhibits 50% of the binding of BRD4 protein and acetylated histone H4) in Table 5. The IC50 value is a concentration of the compound showing 50% fluorescence intensity when the fluorescence intensity thereof under compound untreated condition is 100%. It was calculated from the straight line connecting the degradation rate at two points enclosing the 50% fluorescence intensity and the compound concentration. The compound of the present invention showed a strong inhibitory action on the binding of BRD4 protein and ligand.
11806	1	IC50 Assay	IC50 measurements were conducted by Nanosyn (Table 1A) with an established fluorescence assay.
11807	1	hPanK3 IC50	The assay is not clearly defined.
11808	1	IL-21 ALPHALISA assay	IL-21 levels in cell supernatants and cell-free control samples were measured using the ALPHALISA assay kit from Perkin Elmer, following the manufacturer&#39;s instructions. The assay was run at room temperature in 384-well ALPHAPLATES (cat. 6005350; Boston, MA). Briefly, immediately after transferring the cell supernatant to the assay plate, anti-IL-21 acceptor beads were added with the CERTUS FLEX liquid handler (LEAP Technologies, Morrisville, NC). The plate was sealed, spun down and incubated for 30 minutes. After incubation, the seal was removed, anti-IL-21 biotinylated antibody was added with the CERTUS FLEX, and the plate was sealed again, spun down and incubated for 60 minutes. Next, the seal was removed, streptavidin-coated donor beads were added with the CERTUS FLEX, and the plate was sealed, spun down and incubated for another 60 minutes. Finally, the seal was removed and the plate was read using the ENVISION reader (Perkin Elmer, Boston, MA) set with an excitation filter of 680 nm and an emission filter of 615 nm. Two independent IL-21 standard dilution curves were run per plate with analyte provided in the ALPHALISA kit.
11809	1	Biological Data	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5.). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.
11810	1	HPK1 Kinase Binding Assay	A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 &#956;L of the compound in DMSO was transferred from the compound plate to the white 384 well polystyrene plates. The assay buffer contained 50 mM HEPES, pH 7.5, 0.01% Tween-20, 5 mM MgCl2, 0.01% BSA, and 5 mM DTT. 5 &#956;l of 4 nM active HPK1 (SignalChem M23-11G) prepared in the buffer was added to the plate. The enzyme concentration given was based on the given stock concentration reported by the vender. 5 &#956;l of 18 nM tracer 222 (ThermoFisher PV6121) and 4 nM LanthaScreen Eu-Anti GST antibody (ThermoFisher PV5595) were added. After one hour incubation at 25° C., the plates were read on a PHERAstar FS plate reader (BMG Labtech). Ki values were determined.
11343	1	FLIPR Assay	The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by serial dilution steps in 100% DMSO. Dilution factor and number of dilution steps may vary according to needs. Typically 8 different concentrations by 1:5 dilutions are prepared, further intermediate dilutions (1:20) of the substances are carried out with HBSS/HEPES buffer (1×HEPES, Cat. 14065 from Gibco, 20 mM HEPES, Cat. 83264 from SIGMA, 0.1% BSA Cat. 11926 from Invitrogen, pH 7.4. At the assay day cells are washed 3× with assay puffer, 20 &#956;L buffer remaining in the wells after washing. 10 &#956;L Ca6 kit (Cat. R8191 Molecular Devices) loading buffer in HBSS/HEPES is added to the cells and the plates are incubated with lid for 120 minutes at 37°/5% CO2. 10 &#956;L of compound or controls in HBSS/HEPES buffer/5% DMSO from the intermediate dilution plate are carefully added to the wells. Luminescence (indicating the calcium influx or release) is read on the FLIPRtetra device for 10 minutes to monitor the compound induced effects (e.g. agonism). Finally 10 &#956;L of the agonist AITC 50 &#956;M dissolved in HBSS/HEPES buffer/0.05% DMSO (final concentration 10 &#956;M) is added to the wells followed by an additional read on the FLIPRtetra device for 10 minutes.
9605	1	Target Selectivity Assays	To determine species selectivity, a Mouse PPAR&#945; Reporter Assay System was used (Indigo Biosciences, Cat. #M00111). Activity of test compounds to antagonize or agonize other isoforms of human PPAR, for example &#946;/&#948; and &#947;, were assessed using the corresponding kits from Indigo Biosciences (Cat. #IB00121 and #IB00101, respectively). In addition to PPAR activity, compounds were also screened for activity against other nuclear hormone receptors including Estrogen Receptor &#946;, Glucocorticoid Receptor and Thyroid Receptor &#946; using commercially available kits (Indigo Biosciences, Cat. #IB00411, IB00201 and IB01101, respectively). Each assay system from Indigo Biosciences uses technology analogous to the human PPAR&#945; kit, with the variance being that the cells used for each assay were engineered to over-express the receptor of interest.
9605	2	Human PPARalpha Reporter Assay	The screening of test compounds for agonist or antagonist activities against human PPAR&#945; receptors was performed using a commercial kit, Human PPAR&#945; Reporter Assay System (Indigo Biosciences, Cat. #1B00111). This nuclear receptor assay system utilizes proprietary non-human mammalian cells engineered to provide constitutive, high-level expression of Human PPAR&#945;. Because these cells incorporate a PPAR&#945;-responsive luciferase reporter gene, quantifying expressed luciferase activity provides a sensitive surrogate measure of PPAR&#945; activity in the treated cells. The primary application of this reporter assay system is in the screening of test samples to quantify any functional activity, either agonist or antagonist, that they may exert against human PPAR&#945;. While this assay may be used to measure agonism, each of the Examples, infra, exhibits antagonism rather than agonism. Briefly, the reporter cells are dispensed into wells of the assay plate and then immediately dosed with test compounds. Following an overnight incubation, the treatment media are discarded and Luciferase Detection Reagent (LDR) is added. The intensity of light emission from the ensuing luciferase reaction provides a sensitive measure that is directly proportional to the relative level of PPAR&#945; activation in the reporter cells.
11456	1	HEK Reporter Assay	HEK293 reporter cells expressing human TLR7 or human TLR8 were purchased from Invivogen and vendor protocols were followed for cellular propagation and experimentation. Briefly, cells were grown to 80-85% confluence at 5% CO2 in DMEM supplemented with 10% FBS, Zeocin, and Blasticidin. Cells were then seeded in 96-well flat plates at 4×104 cells/well with substrate containing HEK detection medium and immunostimulatory molecules. Activity was measured using a plate reader at 620-655 nm wavelength.
11811	1	hPD-1/hPD-L1 binding assay	A negative control, a positive control and drug administration groups were set up, with two duplicate wells in each group. For the positive control group, added 2 &#956;L diluent to a 96-well plate; 4 &#956;L of PD-L1 and 4 uL of PD-1 as diluted according to the instructions; for the negative control group, added 6 &#956;L diluent and 4 &#956;L PD-L1 to a 96-well plate; for the administration group, 2 &#956;L of the compound of the invention (or the positive compound BMS-202), 4 &#956;L of PD-L1 and 4 &#956;L of PD-1 were successively added to a 96-well plate. Sealed the plate with a sealing film, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 15 minutes. Then mixed equal volumes of Anti-Tag-Eu3+ and Anti-tag-XL665 as diluted in buffer evenly, then added 10 &#956;L of the mixture to each well, sealed the plate, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 2 hours. Removed the sealing film, used EnVision to read the fluorescence intensity at 665 nm and 615 nm, and calculate ratio=Signal 665 nm/Signal 620 nm×104. IC50 of the compounds was calculated using Graphpad. In this experiment, BMS-202 in the patent WO2015034820 of BMS Company was selected as the positive drug.
11811	2	Affinity Test Between the Compounds of the Invention and hPD-L1 Protein	The test compound was dissolved in DMSO to make a stock solution with a final concentration of 10 mM, then diluted to 1× with 1.05× PBS-P+, and then diluted by 4 times with 1× PBS-P+ buffer containing 5% DMSO; the Fc-PD-L1 protein was diluted to 10 &#956;g/mL with 1× PBS-P+ solution containing 5% DMSO, and was then captured on the Protein A chip at a flow rate of 10 &#956;l/min for 120 s. Each experiment used dual channels, one of which captured the ligand and the other served as a reference channel; the analyte was ready for use, and at least five concentrations were set for each analyte. The concentration selection varied with the analyte. The analyte flowed through the two channels at 30 &#956;l/min for 90 seconds; solvent calibration was used for exclusion of the influence of DMSO, 1× PBS-P+ in 50% DMSO solution was used to wash the flow path with 30 &#956;l/min; 10 mM glycine pH 1.5 for 30 s was used for chip surface regeneration, the experimental temperature is 25° C.; Biacore T200 Evaluation software was used, 1:1 binding model was used to calculate the KD value.
11812	1	LR2 Assays	On day 1, 50 &#956;L of each test compound dilution in duplicates or a vehicle control was added to each well of a 96-well plate followed by addition of 150 &#956;L of HEK-Blue hTLR2 cell suspension (1×105 cells/well) and incubated at 37° C./5% CO2 for 2 h. Next, 50 &#956;L of an approximate 3×EC50 concentration of each agonist (Pam2CSK4 or Pam3CSK4) was added to the wells containing test compounds or the vehicle control. The plates were then incubated at 37° C./5% CO2 for 18 h. For each assay run, non-treated HEK-Blue hTLR2 cells were treated with serial dilutions of agonists to determine EC50 values for the respective run. On day 2, secreted alkaline phosphatase (SEAP) activity was detected in cell culture supernatants. In brief, 20 &#956;L was collected from each well and transferred to a 96-well plate. Next, 200 &#956;L of Quanti-Blue detection reagent was added to each well. Plates were incubated at room temperature for 15 min and SEAP activity was assessed by spectrophotometer OD reading at 655 nm. Table A shows the activities of the compounds tested in HEK cells using Pam2CSK4 and Pam3CSK4 as agonists. The activities of the compounds against Pam2CSK4 and Pam3CSK4 are presented as IC50 values which were defined as concentrations of the compounds where percent inhibition of the signal induced by agonist is equal to 50%. IC50 values were calculated based on 8-point dilutions for each compound.
11812	2	TLR9 Assay	On day 1, 50 &#956;L of each test compound dilution in duplicates or a vehicle control was added to each well of a 96-well plate followed by addition of 150 &#956;L of HEK-Blue hTLR9 cell suspension (1 105 cells/well) and incubated at 37 C./5% CO2 for 2 h. Next, 50 &#956;L of an approximate 3 EC50 concentration of TLR9 agonist, ODN 2006, was added to the wells containing test compounds or the vehicle control. The plates were then incubated at 37 C./5% CO2 for 18 h. For each assay run, vehicle-treated HEK-Blue hTLR9 cells were treated with serial dilutions of agonist to determine EC50 values for the respective run. On day 2, secreted alkaline phosphatase (SEAP) activity was detected in cell culture supernatants. In brief, 30 &#956;L was collected from each well and transferred to a 96-well plate. Next, 200 &#956;L of Quanti-Blue detection reagent was added to each well. Plates were incubated at 37 C. for 60 min. and SEAP activity was assessed by spectrophotometer OD reading at 655 nm. Table A shows the activities of the compounds tested in HEK-Blue hTLR9 cells against ODN 2006. The activities of the compounds against ODN 2006 are presented as IC50 values which were defined as concentrations of the compounds where percent inhibition of the signal induced by agonist is equal to 50%. Exact IC50 values were calculated based on 8-point dilutions for each compound. Approximate IC50 values ( or <) were calculated based on 4-point dilutions for each compound.
11813	1	Evaluation of DGKdelta Inhibitory Effect	To a 384-well plate (Greiner Bio-One Co., Ltd.), 3 &#956;L of a DGK &#958; enzyme dissolved in an assay buffer (40 mM Tris-HCl pH 7.5, 10 mM MgCl2, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA)) (90 ng/mL) was added, and 3 &#956;L of the test compound diluted with the same assay buffer was added so that an intended final concentration was obtained. The mixture was left standing at room temperature for 15 minutes, 3 &#956;L of a substrate (150 &#956;M 1-oleoyl-2-acetyl-sn-glycerol (Sigma-Aldrich Co. LLC), 480 &#956;M phosphatidylserine (Avanti, Inc.) and 150 &#956;M UltraPure-ATP (attached to ADP-Glo)) was then added, and the mixture was left standing at room temperature for 30 minutes to react. Thereafter, 3 &#956;L of an ADP-Glo Reagent was added, and the mixture was left standing at room temperature for 40 minutes to stop the enzyme reaction. Further, 6 &#956;L of a Kinase-Detection Reagent was added, the mixture was left standing at room temperature for 30 minutes, and the luminescence was then measured using ARVO X3 (PerkinElmer, Inc.). The half maximal inhibitory concentration (IC50) was calculated by Sigmoid-Emax model non-linear regression analysis, where the signal value in solvent treatment was set to 0% inhibition and the signal value without addition of the DGK &#958; enzyme was set to 100% inhibition. 
11814	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 &#956;M (2× starting concentration; 10% DMSO) and 10 &#956;L were transferred into a 384-well plate. Then 10 &#956;L of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters. Dissociation constants (Ki) are shown in TABLE 2 below and were determined using Wang&#39;s equation (Wang Z.-X., An Exact Mathematical Expression For Describing Competitive Binding Of Two Different Ligands To A Protein Molecule. FEBS Lett. 1995, 360:111-4).
11815	1	Biological Assays gainst IRAK1	To measure the IC50 values of the compounds herein against IRAK1, the Adapta Universal Kinase Assay (ThermoFisher) was used. Briefly, 100 nL of different concentrations of the compounds in 100% DMSO were added to each well of a 384-well plate (Corning Cat. #4512). 2.4 &#956;L of 30 mM HEPES, 2.5 &#956;L of 4×ATP solution (in water), and 5 &#956;L of 2× IRAK1/Histone H3 (1-20) peptide mixture (prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA) were added to each well. The plate was shaken for 30 seconds and centrifuged for 1 minute at 1000×g. The plate was then incubated at room temperature for 60 minutes. 5 &#956;L of Detection Mix was added to each well. The plate was shaken for 30 seconds and centrifuged for 1 minute at 1000×g. The plate was then incubated at room temperature for 60 minutes. The plate was subsequently read on a fluorescence plate reader, and the emissions ratio was calculated to determine the ratio of ATP to ADP. Emissions Ratio=AF647 Emission (665 nm)/Europium Emission (615 nm).
11815	2	Biological Assays against IRAK4	To measure the IC50 values of compounds herein against IRAK4, a Z&#8242;-LYTE assay (ThermoFisher) was used. Briefly, 2.5 &#956;L. of different concentrations of the compounds in 1% DMSO were added to 2.4 &#956;L kinase buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA) in each well of a 384-well plate (Corning Cat. #3676). 5 &#956;L of 2×IRAK4/Ser/Thr 07 mixture (prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MnCl2, 2 mM OTT, and 0.02% NaN3) and 2.5 &#956;L of 4×ATP solution (4×ATP, 50 mM HEPES, pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA) were added to each well. The plate was shaken for 30 seconds, and then incubated at room temperature for 60 minutes. 5 &#956;L of a 1:100000 dilution of Development Reagent A was added to each well. The plate was shaken for 30 seconds and incubated for 60 minutes at room temperature. The plate was subsequently read on a fluorescence plate reader, and the emissions ratio was calculated to determine the ratio of Ser/Thr 07 phosphorylated by the reaction. Emissions Ratio=Coumarin Emission (443 nm)/Flourescein Emission (520 nm).
11816	1	SARS-CoV-2 3CLpro Enzyme Assay	IC50 values were determined for compounds that inhibit SARS-CoV-2 3CLpro using our recently described assay (Hattori et al. Nat. Commun. 2021, 12, 668.) and data fitting methods that were derived from our previous work on SARS-CoV 3CLpro and inhibition by chloropyridyl esters. (Ghosh et. Al., Bioorg. Med. Chem. Let. 2008, 18, 5684-5688) The only differences were that pre-incubation of the enzyme with the compounds was 10 minutes instead of 20 minutes.
11816	2	Antiviral Assay	This patent does not specify.
11817	1	Binding Assay	Receptor binding assays were performed in 96-well format in deep-well plates. For each 96-well plate one ampulle of membrane homogenate was thawed and diluted in binding buffer (50 mM Tris pH=7.4, 100 mM KCl) and 200 &#956;L was dispensed into each well. Radioligand [3H]Rol51788 (Perkin Elmer: NET757250UC) was prepared in binding buffer and added to each well in 50 &#956;L volume to give final concentration of 0.5 nM. Test compounds in suitable concentration(s) were added in additional 50 &#956;L. The final assay volume was 300 &#956;L. Incubation was carried out for 60 minutes at 4 C. For non-specific binding 10 &#956;M unlabeled diazepam was used. After incubation samples were filtered over UniFilter*GF/B using Filtermate Harvester (Perkin Elmer) and washed with 5 1 mL binding buffer. The plate was dried at 40 C. for an hour and 40 &#956;L Microscint (Perkin Elmer) scintillation cocktail was added to each well. The plate was read in Microbeta (Perkin Elmer).
11818	1	CD73 Biochemical IC50 Assay	Compound serial dilutions were pre-spotted into Thermo Nunc assay plate. 50 &#956;L CD73 enzyme buffer (CD73 purchased from R&D system=0.6 nM, 25 mM Tris, pH 7.4, 5 mM MgCl2) was added into the assay plate and incubated for 15 mins. 50 &#956;L AMP buffer (AMP=30 uM in 25 mM Tris, pH 7.4, 5 mM MgCl2, final AMP=15 uM, 2×Km, final CD73=0.3 nM) was added into assay plate. After incubation for 60 mins, the supernatant 20 uL was transferred into 384-well NUNC plate pre-filled with 60 ul Quench buffer (80% organic and 20% water+0.1% FA) with internal standard. The plate was spun down at 4500 rpm for 20 mins, then 200 of supernatant was transferred to another Nunc plate prefilled with 800 of water. The samples were run using Rapid fire.
11818	2	CD73 Biochemical IC50 Assay	Compound serial dilutions were pre-spotted into Thermo Nunc assay plate. 50 uL CD73 enzyme buffer (CD73 purchased from R&D system=0.6 nM, 25 mM Tris, pH 7.4, 5 mM MgCl2, 1 mM NaH2PO4) was added into the assay plate and incubate for 15 mins. 50 uL AMP buffer (AMP=30 uM in 25 mM Tris, pH 7.4, 5 mM MgCl2, final AMP=15 uM, 2×Km, final CD73=0.3 nM) was added into assay plate. After incubation for 60 mins, the supernatant (20 uL) was transferred into 384-well NUNC plate pre-filled with 60 uL Quench buffer (80% organic and 20% water+0.1% FA) with internal standard. The plate was spun down at 4500 rpm for 20 mins, then 20 uL of supernatant was transferred to another Nunc plate prefilled with 80 uL of water. The samples were analyzed using Rapid fire.
11819	1	Inhibition of C5a-C5aR Binding	U937 cells were originally obtained from the American Type Culture Collection (ATCC) and transfected with human C5a receptor (C5aR). U937/C5aR cells were cultured at 37° C., 5% CO2 in RPMI1640 (Gibco) supplemented with 10% FBS (Gibco) and 350 g/ml Geneticin (Gibco) and passaged every 3 days to maintain the density range from 1×105 to 2×106 cells/ml. Human C5a biotinylation was performed according to the procedure provided by manufacturer (Thermo Scientific, A39257). 10 mM solution of Sulfo-NHS-LC-Biotin was prepared by adding 180&#956;l ultrapure H2O to the 1 mg vial immediately. 12 &#956;l 10 mM biotin reagent was added to 200 g human C5a solution, gently pipetted for 3 seconds, and incubated on ice for 2 hours. Amicon ultra-0.5 centrifuge filter device (Millipore, UFC5003BK) was pre-rinsed with Milli-Q H2O, centrifuged at 14000 g for 5 min immediately before use. Up to 500 d sample (diluted by PBS) was added to the device and capped. The device was spinned at 14000 g for approximately 5 min. 250 &#956;l PBS was added to the filter device, spinned at 14000 g for 5 min, and repeatedly washed 6 times. The filter device was separated from the microcentrifuge tube and placed upside down in a clean microcentrifuge tube, spinned for 2 min at 1000 g to transfer the concentrated sample from the device to the tube. U937/C5aR cells were collected and washed twice by PBS, cells were suspended in PBS+0.1% BSA buffer at the density of 3×106 cells/ml. 100 &#956;l cell suspension was added to a 96 well microplate. 50 &#956;l compound diluted in assay buffer and 50 &#956;l biotinylated ligand human C5a (30 nM) were added to corresponding wells in order and the plate was incubated on ice for 120 min and then centrifuged at 1000 rpm for 3-5 min at 4° C. Supernatant was removed and cells were washed by pre-cold PBS twice. 100 &#956;l FITC conjugated streptavidin was added to cells, incubated on ice for another 30 min, and then centrifuged at 1000 rpm for 3-5 min at 4° C. Supernatant was removed and cells were washed by pre-cold PBS twice. 150 &#956;l PBS was added to suspend the cells and signals were detected by FACS (Beckman, Cytoflex). IC50 values were calculated by GraphPad Prism software.
11819	2	Inhibition of C5a-C5aR Binding Determined by Cell Migration Assays	Migration assay was performed by using polycarbonate membrane with 3.0 m pore (Corning). U937/C5aR cells were collected and washed twice by PBS; cells were suspended in Hank&#39;s balanced salt solution (HBSS)+1% FBS buffer at the density of 6×106 cells/ml. Cells were premixed with compound and added to insert well, ligand human C5a and compound were added to bottom well in order, gently mix, incubate for 30 min at 37° C., 500 CO2. Put insert plate into bottom well, migrate for 180 min at 37° C., 500 CO2. Gently remove the insert well, add 50 &#956;l CellTiter-Glo (Promega), gently shaking for 5 min at room temperature, transfer 150 &#956;l mixture to black plate and read luminescence intensity byConfidential Draft microplate reader (BioTek).
11819	3	Calcium Mobilization	U937/C5aR cells or HEK293/C5aR cells were washed by PBS and suspended in growth media at the density of 1 106 cells/ml. Seed 2 cell suspension to the 384-well plate and culture for overnight. Transfer 250 nl compound solution to the cell plate using Echo, incubate for 60 min. Cells were added with Fluo-4 Direct dye and incubate for 50 min at 37 C. 5% CO2 and 10 m at room temperature. Place the cell plate into FLIPRTETRA (Molecular Devices). Transfer 10 &#956;l of 5-fold EC80 concentrations of agonist human C5a to the cell plates. Read fluorescence signal, data was calculated by GraphPad Prism.
11820	1	In vitro Assay (5 nM)	Each compound for inhibiting enzymatic activity of recombinant 15-PGDH (5 nM) in an in vitro assay.
11820	2	In vitro Assay (1 nM)	Each compound for inhibiting enzymatic activity of recombinant 15-PGDH (1 nM) in an in vitro assay.
11821	1	MCF-7 Cell Growth Study	Compound activity was analyzed using celltiter-glo luminescent viability assay (Promega #G7572) in breast cancer cell line MCF-7. Cells grown in log phase are trypsinized and seeded into a 96-well cell culture plate at a density of 2×103 per well and incubated overnight at 37° C. with 5% CO2 in humidified culture chamber. The next day, compounds were prepared in 100% DMSO and were serially diluted and added into cells in the following final concentrations: 316, 100, 31.6, 10, 3.16, 1, 0.32, 0.1, 0.03, 0.01, 0.003 and 0.001 nM. As a control, same volume and concentration of DMSO vehicle control solution was added to the control wells in each plate. The cells were incubated with compounds at 37° C. culture chamber for 6 days. Promega&#39;s celltiter-glo kit was used to analyze the cell viability, according to manufacture&#39;s instruction. Briefly, fifty microliter of celltiter-glo reagent was added to each well, plate (covered with aluminum foil) was gently vibrated for 10 min to induce cell lysis at room temperature. Luminescence was measured using a SPECTRAmax i3 reader. Cell growth inhibition IC50 is calculated using GraphPad Prism V5.0 software. % inhibition=(1&#8722;(max signal/min signal))*100%.
11822	1	SOS-Catalyzed Nucleotide Exchange Assay	Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labcyte, catalog #LP-0200). Once titrations are made, 10 nL of the diluted compounds is acoustically dispensed into a 384-well plate (Corning, catalog #3820) using an Echo 550 (Labcyte). Each well of the plate receives 3 &#956;L Biotinylated KRAS G12C mixture that had been incubating for six hours and 3 &#956;L of assay buffer using a BioRAPTR (Beckman Coulter) and is incubated at room temperature for 60 minutes. Each well then receives 3 &#956;L of 240 nM recombinant human SOS protein and 9 mM GTP (Sigma, G8877) in assay buffer and is incubated at room temperature for 60 minutes. The time-resolved fluorescence resonance energy transfer signal of the plate is measured on an Envision (PerkinElmer) plate reader: Excitation filter=340 nm; emission1=495 nm; emission2=520 nm; dichroic mirror=D400/D505; delay time=100 &#956;s. The signal of each well is determined as the ratio of the emission at 520 nm to that at 495 nm. Percent effect of each well is determined after normalization to control wells containing DMSO (no effect) or a saturating concentration of inhibitor (max effect). The apparent effect as a function of compound concentration is fit to a four parameter logistic equation.
11823	1	IC50 Determination	Experiments to determine IC50 values against &#946;5i and &#946;5c for compounds were carried out in 96-well plates. In brief, 1 &#956;L of compound in a 3× series dilution in DMSO at concentration ranging from 100 &#956;M-0.0017 &#956;M were spotted to the bottom of a black 96-well plate with solid bottom. 100 &#956;L of reaction buffer (20 mM HEPES, 0.5 mM EDTA, pH7.5, 0.1% BSA) containing enzyme (final concentration was 0.2 nM for c-20S, and 0.4 nM for i-20S) and substrate (25 &#956;M for suc-LLVY-AMC for &#946;5c and 15 &#956;M for Ac-ANW-AMC) were dispensed into each well, and the plate was then spun at 1000× rpm for 1 minute and then shaked on a shaker for 1 minute. Time course of the hydrolysis of each well was followed by recording the fluorescence of product AMC (Ex 360 nm and Em 460 nm) on a SpectraMax M5 plate reader for 1.5-2 hours. Initial reaction velocity of each well was fit to a dose-dependent inhibition equation using PRISM to determine the IC50. IC50s were determined only for &#946;5i and &#946;5c (Table 3). SDS was used as activator for both enzymes at concentration 0.0200.
2553	1	Potency Assessment EGFR (WT) and EGFR Mutants	The inhibition activity and the selectivity of the compounds against mutant EGFR and WT EGFR were assessed by using WT EGFR cell line A-431 (American Type Culture Collection (ATCC), CRL-1555) and mutant cell lines as described in Example 99.One day before the test, WT or mutant cells were seeded in 96 well plates at appropriate concentrations with corresponding growth media supplemented with 1% FBS, and incubated overnight. The next day, tested compounds at a series of concentrations were added into each individual well of the plates, and the plates were incubated for 4 h at 37 C. with 5% CO2. For WT EGFR cell line, an additional stimulation with 100 ng/ml recombinant hEGF (RD, Cat #236-EG) for 10 min should be performed after the incubation with the tested compound and before the analysis by MSD kits.The EGFR (Y1068) phosphorylation level (activity) of cells in each well were then measured with MSD kit named MULTI-SPOT 96 4-Spot HB Prototype EGFR Triplex ANALYTES: pEGFR(Tyr1068),pEGFR(Tyr1173), Total EGFR according to the manufacturer&#39;s instruction (MESO SCALE DISCOVERY, Cat #N45ZB-1). The assay is an electrochemiluminescent method for determining both phosphorylated and total EGFR of cells with an MSD SECTOR Imager and the ratio of p-EGFR/total EGFR can be generated by the machine. The Her2 (Y1248) phosphorylation level (activity) of cells in each well were measured with MSD Kit named Phospho-ErbB2 (Tyr1248) Assay Whole Cell Lysate Kit according to the manufacturer&#39;s instruction (MESO SCALE DISCOVERY, Cat #K151CLD-3). The assay is an electrochemiluminescent method (MESO SCALE DISCOVERY) for determining both phosphorylated and total Her2 of cells with an MSD SECTOR Imager and then the ratio of p-Her2/total Her2 can be generated by the machine. The percentage of inhibition was calculated based on the formula: % inhibition=100 [1&#8722;(ratio of sample well&#8722;ratio of Min ctrl well)/(ratio of Max&#8722;Ratio of Min ctrl well)]. The IC50 values were calculated as the compounds&#39; concentration required for 50% inhibition in best-fit curves using Prism GraphPad 7.0 or Microsoft Xlfit software.
2931	1	cAMP Assays	To optimize functional activity directed toward Gas coupling, a HEK293/CRE-Luc cell line developed by HDB stably expressing the GLP-1 Receptor was used. 200× concentration of compound working solutions were prepared (Agilent Technologies Bravo) with 1/2 log serial dilution in 384-well Echo LDV plate (Labcyte, Cat #LP-0200). 50 nL/well 200× concentration of compound working solutions were moved to 384-well white low volume plate (Greiner, Cat #784075) using Labcyte ECHO550. 1×105 cells/mL HEK293/GLP1R/CRE-LUC(HD Biosciences) cell suspensions prepared with assay buffer[DPBS containing 0.5 mM IBMX(Sigma, Cat #15879) and 0.1% BSA(GENVIEW, Cat #FA016-100g)], 10 uL cell suspensions were added to each well of previous generated assay plate which already contains 50n1 compound at 200× concentration using ThermoFisher Multidrop Combi(1000 cells/well). Seal the plate and incubate at 37° C. with 5% CO2 for 30 min.After incubation the cAMP assay signal was generated using cAMP dynamic 2 Kit (Cisbio). 5 &#956;L cAMP-d2 working solution was added to each well, followed with 5 &#956;L Anti-cAMP antibody-cryptate working solution added to each well using ThermoFisher Multidrop Combi. Incubate at room temperature for 1 hour protected from light. Read the fluorescence at 665 and 615 nm with Reader PerkinElmer EnVision.% Activity=100%×(mean RLU of test sample&#8722;mean RLU of vehicle control)/(mean RLU of MAX control&#8722;mean RLU of vehicle control)).
9227	1	Determination of IRAK4 Kinase Activity	The following methods were used to determine the inhibition degree of the preferred compound of the present invention on IRAK4 kinase activity in vitro. In this evaluation, the HTRF KinEASE-STK S1 Serine/Threonine kinase kit produced by Cisbio was used to determine the phosphorylation degree of biotinylated polypeptide substrate by homogeneous time-resolved fluorescence technique (HTRF).Detailed methods can be referred to the kit instructions, and the experimental process was briefly described as follows. Firstly, the compounds of the present invention were dissolved in DMSO, and the final concentration was 10 mM. Then, the buffer solution provided in the kit was used for equal gradient dilution, so that the final concentration range of the tested compound in the reaction system was 16000 nM-0.008 nM, and the final concentration of DMSO is less than 2%.The adenosine triphosphate (ATP) concentration in the test was the corresponding ATP Km value (300 &#956;M) determined in advance. Compounds, kinase, biotinylated polypeptide substrate and ATP were incubated at 37 C. for 1 h for kinase reaction, then anti-phosphorylated Serine/Threonine antibody coupled with compound of europium element and modified XL665 streptavidin were added into the reaction system to terminate the reaction, and incubated at room temperature for 1 h. After incubation, the fluorescence intensity of each well at emission wavelengths of 615 nm and 665 nm was determined on the microplate reader FLUOstar Omega under the excitation wavelength of 337 nm in HTRF mode, and the Ratio value was calculated by using the formula Ratio=(665 nm/615 nm) 104. Compared with the fluorescence intensity ratio of the control group, the inhibition rates of the compound at each concentration were calculated, and then the IC 50 value of the compound was calculated by fitting the nonlinear curve of logarithmic concentration-inhibition rate with GraphPad Prism5.
10010	1	PDE3A Enzyme Inhibition	The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determination of the in vitro effect of test substances on the PDE3A reactions 2 &#956;l of the respective test compound solution in DMSO (serial dilutions) were is placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 &#956;l of a dilution of PDE3A cell extract from Sf9 cells overexpressing human full length PDE3A (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3A cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:5000). The reaction was started by addition of 50 &#956;l (0.025 &#956;Ci) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H] adenosine 3&#8242;,5&#8242;-cyclic phosphate (1 &#956;Ci/&#956;l; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 &#956;l of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). IC50 values were determined from sigmoidal curves by plotting percentage PDE3A activity vs log compound concentration.
10010	2	PDE3B Enzyme Inhibition	The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determination of the in vitro effect of test substances on the PDE3B reactions 2 &#956;l of the respective test compound solution in DMSO (serial dilutions) were placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 &#956;l of a dilution of PDE3B cell extract from Sf9 cells overexpressing human full length PDE3B (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3B cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:6000). The reaction was started by addition of 50 &#956;l (0.025 &#956;Ci) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H] adenosine 3&#8242;,5&#8242;-cyclic phosphate (1 &#956;Ci/&#956;l; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 &#956;l of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). IC50 values were determined from sigmoidal curves by plotting percentage PDE3B activity vs log compound concentration.
10174	1	Receptor-Interacting Protein Kinase 1 Inhibition	In detail, 2 &#956;l recombinantly produced hRIPK1 (aa 1-375) fusion protein (end concentration 3.6 &#956;g/ml) and 2 &#956;l compound (end concentration 33300-1.69 nM; DMSO end concentration 1%) were incubated for 30 minutes at room temperature and then 2 &#956;l ATP (ADP Glo kit, end concentration 50 &#956;M) were added. After another 240 minutes incubation at room temperature, 5 &#956;l Promega ADP-Glo reagent I were added to quench the reaction and deplete unconsumed ATP. After an incubation period of 30 minutes, 10 &#956;l Promega ADP-Glo detection reagent II were added resulting in conversion of ADP to ATP, which generates a light-reaction between luciferase and luciferin. Luminescence was quantified after 30 minutes with a Pherastar FS (BMG LABTECH, Ortenberg).
10336	1	PDE5 assay	Experimental protocol: The test compound, i.e the compound of the present invention, reference compound or water (control) are added to a buffer containing 40 mM Tris/HCl (pH 7.8), 3 mM MgCl2, 1.4 mM DTT, 0.21% BSA, 200 mM NH4Cl, 1 &#956;M cGMP and 0.1 &#956;Ci [3H]cGMP. Thereafter, the reaction is initiated by addition of the enzyme and the mixture is incubated for 60 min at 22° C. For basal control measurements, the enzyme is omitted from the reaction mixture. Following incubation SPA beads are added. After 20 min at 22° C. under shaking, the amount of [3H]5&#8242;GMP is quantified with a scintillation counter (Topcount, Packard).The results shown in Table 1 are expressed as a percent inhibition of the control enzyme activity. The standard inhibitory reference compound is dipyridamole, which is tested in each experiment at several concentrations to obtain an inhibition curve from which its IC50 value is calculated.
10457	1	FGFR Enzymatic Assay	The inhibitor potency of the exemplified compounds was determined in an enzyme discontinuous assay that measures peptide phosphorylation using FRET measurements to detect product formation. Inhibitors were serially diluted in DMSO and a volume of 0.2 &#956;L was transferred to the wells of a 384-well plate. A 5 &#956;L/well volume of enzyme isoforms of FGFR (&#8722;1, &#8722;2, &#8722;3 wild-type and mutant isoforms, &#8722;4) including phosphorylated and un-phosphorylated proteins diluted in assay buffer (50 mM HEPES, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 5 mM DTT, pH 7.5) was added to the plate and pre-incubated with inhibitor for 5 to 15 minutes at ambient temperature. Appropriate controls (enzyme blank and enzyme with no inhibitor) were included on the plate. The reaction was initiated by the addition of a 5 &#956;L/well volume containing both biotinylated EQEDEPEGDYFEWLE peptide substrate (SEQ ID NO: 1) and ATP in assay buffer. The 10 &#956;L/well reaction concentration of the peptide substrate was 500 nM whereas the ATP concentration was maintained near or below the ATP Km. The ATP Km values were pre-determined in a separate series of experiments. The reaction plate was incubated at 25 C. for 1 hr and the reactions were ended with the addition of 5 &#956;L/well of quench solution (50 mM Tris, 150 mM NaCl, 0.5 mg/mL BSA, pH 7.8; 45 mM EDTA, 600 nM staurosporin, with Perkin Elmer Lance Reagents at 3.75 nM Eu-antibody PY20 and 180 nM APC-Streptavidin). The plate was allowed to equilibrate for 10 minutes at ambient temperature before scanning on a PheraStar plate reader (BMG Labtech) instrument.Either GraphPad prism or XLfit was used to analyze the data. The IC50 values were derived by fitting the data to a four parameter logistic equation producing a sigmoidal dose-response curve with a variable Hill coefficient. Prism equation: Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*Hill slope)); XLfit equation: Y=(A+((B&#8722;A)/(1+((X/C){circumflex over (&#8195;)}D)))) where X is the logarithm of inhibitor concentration and Y is the response.
10639	1	ASK1 Enzyme Assay	The protein kinase inhibitory activity of the compounds described herein were tested using the ASK1/MAP3K5 assay by Reaction Biology Corp. (Malvern, Pa.). The assay procedure follows (and is also available on the Reaction Biology Corp. website).Base Reaction Buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA,0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO;Substrate: 20 &#956;M of myelin basic protein (MBP) and 10 &#956;M ATP;Protein kinase: ASK1/MAP3K5.Reaction Procedure:1. Prepare indicated substrate in freshly prepared Base Reaction Buffer.2. Deliver any required cofactors to the substrate solution.3. Deliver indicated kinase into the substrate solution and gently mix.4. Deliver compounds in DMSO into the kinase reaction mixture by Acoustic; technology (Echo550; nanoliter range), incubate for 20 minutes at room temperature.5. Deliver 33P-ATP (specific activity 10 &#956;Ci/&#956;L) into the reaction mixture to initiate the reaction.6. Incubate kinase reaction for 2 hours at room temperature.7. Reactions are spotted onto P81 ion exchange paper.8. Detect kinase activity by filter-binding method.
10799	1	[35S]-GTPgammaS binding assay	The compounds described herein have been shown to be positive allosteric modulators of the mGluR2 receptor using a [35S]-GTP&#947;S binding assay as described in PCT international publication number WO 2008/150233 A1. The mGluR2 receptor is expressed exclusively in the synapse of the brain. Activation of this receptor results in the inhibition of the release of glutamate by the presynaptic neuron. Thus, activation of this receptor inhibits glutamate release into the synapse. The EC50 values for mGluR2, taken from WO 2008/150233 A1.
11400	1	Antimicrobial Susceptibility Testing	The in vitro antimicrobial activity of the compounds was alternatively determined according to the following procedure: The assay used a 10-points Iso-Sensitest broth medium to measure quantitatively the in vitro activity of the compounds against A. baumannii ATCC 17978. Stock compounds in DMSO were serially twofold diluted (e.g. range from 50 to 0.097 &#956;M or from 10 to 0.020 &#956;M final concentration) in 384 wells microtiter plates and inoculated with 49 &#956;l the bacterial suspension in Iso-Sensitest medium to have a final cell concentration of 5 10(5) CFU/ml in a final volume/well of 50 &#956;l/well. Microtiter plates were incubated at 35 2 C. Bacterial cell growth was determined with the measurement of optical density at &#955;=600 nm each 20 minutes over a time course of 16 h. Growth inhibition was calculated during the logarithmic growth of the bacterial cells with determination of the concentration inhibiting 50% (IC50) and 90% (IC90) of the growth.
11824	1	Assay for Inhibition of MMP	Serial dilutions of the compound were prepared with 10% DMSO, and 5 &#956;l of each dilution was added to a 50 &#956;l reaction vessel to result in a final DMSO concentration of 1% for each reaction. The enzymes were diluted in 50 mM HEPES buffer pH7.4, 10 mM CaCl2, 0.05% Brij-35, and 1 mM APMA for activation at 37° C. for 2 hours. The enzymatic reactions were conducted in duplicate at room temperature for 30 minutes in a 50 &#956;l mixture containing 50 mM HEPES buffer, pH7.4, 10 mM CaCl2, 0.05% Brij-35, an MMP substrate, an MMP enzyme and a test compound. Fluorescence intensity was measured at an excitation of 328 nm and an emission of 393 nm using a Tecan Infinite M1000 microplate reader. Phosphatase activity assays were performed in duplicate at each concentration. The fluorescent intensity data were analyzed using the computer software, Graphpad Prism. In the absence of the compound, the fluorescent intensity (Ft) in each data set was defined as 100% activity. In the absence of enzyme, the fluorescent intensity (Fb) in each data set was defined as 0% activity. The percent activity in the presence of each compound was calculated according to the following equation: % activity=(F&#8722;Fb)/(Ft&#8722;Fb), where F=the fluorescent intensity in the presence of the compound. The values of % activity versus a series of compound concentrations were then plotted using non-linear regression analysis of Sigmoidal dose-response curve generated with the equation Y=B+(T&#8722;B)/1+10((Log EC50&#8722;X)×Hill Slope), where Y=percent activity, B=minimum percent activity, T=maximum percent activity, X=logarithm of compound and Hill Slope=slope factor or Hill coefficient. The IC50 value was determined by the concentration causing a half-maximal percent activity.
11825	1	Biochemical EC50 Assay	Cell culture: Cells were cultured in RPMI1640 medium+15% FBS. Cells were maintained at a density between 2e5/mL and 1e6/mL. Cells were centrifuged, resuspended in fresh medium, counted and plated at 150,000 cells per well in 100 uL in a non-coated, flat bottom tissue culture plate. Compound treatment: 10 mM stock solution of FA GeneTAC was diluted 1:10 in DMSO followed by a 1:100 dilution in growth medium. Working solution was then further diluted to 10× desired final concentration of 150 nM. Compound was then diluted at a 1:3 ratio into growth medium containing 0.01% DMSO. 5-point, 3-fold dose response curve was generated. 11 &#956;L of 10× compound was added to wells containing 100 &#956;L cell suspension of GM15850. 11 &#956;L growth medium containing 0.01% DMSO was added to all wells not treated with FA GeneTAC. Cells were allowed to incubate for 48 hrs prior to cell lysis using guanidine isothiocyanate solution. RNA isolation: Total RNA was isolated and purified in 384-well column filter plates using chaotropic salt. qRT-PCR: qRT-PCR reactions were assembled using AgPath-ID reagents (Thermo Fisher) using 6 uL mastermix and 4 &#956;L RNA. qRT-PCR TaqMan primer probe sets against human FXN (Assay ID Hs01075496_m1) and human GAPDH (Assay ID Hs00266705_g1) were used to measure the intended targets. qRT-PCR was run on the ThermoFisher QuantStudio 6 PRO instrument using the manufacturer&#39;s recommended cycling conditions. Data analysis: qPCR data was analyzed using Thermo Fisher Design and Analysis software. Data was exported to Excel and hFXN expression was normalized to hGAPDH expression.
11826	1	Fluorescent Polarization Assay	Compound activity was monitored in a fluorescence polarization (FP) homogeneous assay using 1-[5-({2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)ethoxy]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium-5-sulfonate as a fluorescent probe. Unless otherwise stated, all reagents were purchased from Sigma Aldrich. Enzymatic reactions were conducted in Perkin-Elmer Black 384 well ProxiPlate Plus (catalogue no. 6008269) in 10 sL total volume. Full length wild-type cereblon CRBN (80.0 nM, 10 sL) was incubated in assay buffer containing 20 mM HEPES (pH 8.0), 150 NaCl, 0.5 mM TCEP and 0.05% Tween 20 in the presence or absence of compound (300 nL). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System. Compounds and DMSO were dispensed using the Echo E5XX (Labcyte Inc. USA) to give concentrations from 300 to 0.937 or 3000 to 9.3 nM in a 12 data point curve. Mutant YWAA CRBN (80.0 nM, 10 &#956;L) which does not interact with the fluorescent probe was used as a negative control for the assay. Following incubation at room temperature for 30 min, the assay was initiated by dispensing the probe to a final concentration of 5 nM (2.5 nL of a 20 &#956;M stock) using the Echo E5XX. FP was measured after a period of 12 hours using a Pherastar plate reader (BMG Labtech, Germany) exciting at 590 nm and measuring the amount of parallel and perpendicular light at 675 nm. The FP signal was subsequently normalized to the no-compound control (i.e., DMSO). Analysis and IC50 values were derived using Dotmatics (Dotmatics UK) software.
11827	1	ARM-SAM-TIR SARM1 IC50 Assay	The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco&#39;s PBS buffer in a final assay volume of 20 &#956;L. ARM-SAM-TIR lysate with a final concentration of 5 &#956;g/mL was pre-incubated with the respective compound at 1% DMSO final assay concentration over 2 h at room temperature. The reaction was initiated by addition of 5 &#956;M final assay concentration of NAD+ as substrate. After a 2 hr room temperature incubation, the reaction was terminated with 40 &#956;L of stop solution of 7.5% trichloroactetic acid in acetonitrile. The NAD+ and ADPR concentrations were analyzed by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, CA) using an API4000 triple quadrupole mass spectrometer (AB Sciex Framingham, MA).
11828	1	ELISA Assay to Measure Human Heme Oxygenase-1 (HMOX-1) in HepG2 lysate	Measurement of HMOX1 ( HO-1 ) 1. In a polypropylene 384 well plate, human HO-1(after reconstitution in PBS+0.5% Triton+1 mM EDTA) was serially diluted from 20 ng/ml 2-fold in PBS+0.5% triton-X100, 1 mM EDTA to make a 12-point standard curve including a zero point. 2. In a polypropylene 96 well plate, HepG2 lysate was diluted 1 to 20 in Diluent #4 from DUOSET kit in which the assay standard is also diluted. 3. The PBS+1% BSA was emptied from the ELISA plate and 30 &#956;l of all samples and standards were added (duplicates recommended). The plate was incubated 90 minutes. 4. Emptied plate and washed 4 times with PBST. 5. Diluted HO-1 detection antibody to 200 ng/ml in PBS+1% BSA and added 30 &#956;l to all wells. Incubated 90 minutes. 6. Emptied plate and washed 4 times with PBST. 7. Added 30 &#956;l streptavidin HRP at 1/200 in PBS+1% BSA (stock streptavidin concentration not specified) to all wells. Incubated 30 minutes. 8. Emptied plate and washed 4 times with PBST. 9. Diluted Lumiglo reserve reagent two parts buffer to one part lumiglo substrate. Added 30 &#956;l to all wells. Incubated 5 minutes. 10. Measured chemiluminescence on spectramax M5 using 150 ms integration.
11829	1	Quantification of cGAS Protein Inhibition	A reagent buffer was prepared in filtered and autoclaved water according to the following: 50 mM Tris-buffer pH 7.5 (1 M Tris-buffer pH 7.5, Invitrogen, Cat. No. 15567-027); 50 mM NaCl (5 M NaCl, Sodium Chloride Solution, Sigma, 59222C-); 5 mM MgCl2 (1 M MgCl2, Sigma, M1028); 0.1 mM ZnCl2 (Zinc Chloride [7646-85-7], powder, Cell Culture Tested, Sigma, Z-0152); and 0.001% Tween 20 (TWEEN 20, Sigma Aldrich, P1379-).A buffer for the cGAS enzyme was prepared in filtered and autoclaved water according to the following: 50 mM Tris-buffer pH 7.5; 5 mM MgCl2; and 0.001% Tween 20.Compounds were dispensed to a 386 well plate. The human truncated cGAS enzyme (4.2 mg/mL 147-522 human cGAS, MW 43,909 g/mol) was stored in 50 mM Tris, 500 mM NaCl, 5% (v/v) glycerol at pH 8 and diluted in the cGAS buffer enzyme shortly before use. The enzyme solution was transferred into the reagent buffer to give a final concentration of 30 nM. The reaction was started by mixing the enzyme with ISD (a 45 bp double stranded DNA, MW 27,670 g/mol, 5 mM), GTP and ATP to a final concentration of 5 &#956;M, 0.5 mM and 0.5 mM respectively in a final volume of 10 &#956;l. The reaction plates were then centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 1 h. After 1 h of incubation, [15N5]-2&#8242;3&#8242;-cGAMP to a final concentration of 200 nM and 30 &#956;L of 100% acetonitrile/0.175% of TFA were added to the reaction mixture. The plates were centrifuged at 1000 rpm for 1 minute before being sealed for 3 seconds at 170° C. using a ThermoScientific sealer (ALPS 50V) and an aluminum sealing cover (Pierce Seal, 4titude, Product Code: 4TI-0531). The concentration of cGAMP was measured on a LC-MS/MS system consisting of a THERMO Dionex Ultimate LC system with a high pressure pump, an autosampler, a column heating compartment (Reinach, Switzerland) and a SCIEX Triple Quad 5500 (Framingham, MA, USA) mass spectrometer for detection. The sample plates were centrifuged for 10 minutes at 2000 rpm. Up to three plates were placed in the autosampler for injection. An aliquot of 10 &#956;L of each sample was injected on an XBridge BEH Amide 3.5 &#956;m, 2.1×50 mm column (P/N 186004859) with an XBridge BEH Amide 5 &#956;m 2.1×5 mm VanGuard Cartridge (P/N 186007760) pre-column (both WATERS, MA, USA) held at 40° C. An isocratic flow of 1.0 mL/min solvent (60% ACN, 8 mM ammonium acetate, 5 mM ammonium hydroxide, 0.04% acetic acid) was applied and sprayed into the ion source of the mass spectrometers. The MS parameters were optimized based on the properties of the compounds to be detected and run in positive multi-reaction mode (MRM) based on the mass transitions. LC and MS parameters were also optimized to allow for a sample-to-sample measuring time of approximately 75 sec and a run time of 8 hours per 384-well plate. All data were analyzed with Excel; and the dose response curves were generated using the auto fitting function of XLfit. The IC50 was determined by plotting the cGAMP concentration ratio (cGAMP divided by the internal standard [15N5]-2&#8242;3&#8242;-cGAMP) versus the concentration of compound.
11830	1	BTK(h) Study	Compounds of Formula Ib, Formula II, and Formula III were tested against BTK(h) as described herein. All compounds tested were prepared to a working stock of 50× final assay concentration in 100% DMSO. Where appropriate, more concentrated stocks were diluted manually to 50× using 100% DMSO. Compounds, which were powders, were reconstituted to a 10 mM stock in 100% DMSO before further dilution to 50×. Assay Procedure: The required volume of the 50× stock of test compound was added to the assay well before a reaction mix containing the enzyme and substrate was added. The reaction was initiated by the addition of ATP at the selected concentration. There was no pre-incubation of the compound with the enzyme/substrate mix prior to ATP addition.
11831	1	KRAS::SOS1 AlphaScreen Binding Assay	This assay is used to examine the potency with which compounds inhibit the protein protein interaction between SOS1 and KRAS G12D in a defined biochemical setting. Low IC50 values of given compounds are indicative of high potency of the SOS1 inhibitor compounds in this assay setting.Reagents: GST-TEV-SOS1 (564-1049) and His-TEV-Avi-KRAS G12D (1-169) are purchased from Viva Biotech (Shanghai) Ltd. GDP (Sigma, Cat. G7127) AlphaLISA Glutathione Acceptor Beads (PerkinElmer, Cat. AL109C) AlphaScreen Streptavidin Donor Beads (PerkinElmer, Cat. 6760002S) Assay plates: ProxiPlate-384 Plus, White 384-shallow well Microplate (PerkinElmer, Cat. 6008280)Assay Buffer: PBS, pH 7.4 (Gibco, Cat. 10010023) 0.05% Tween 20 (Sigma, Cat. P7949 100 ML) 0.1% Bovine Serum Albumin (BSA) (Sigma, Cat. A1933 5 G)Assay Protocol:SOS1 inhibitor compounds are diluted to a final start concentration of 1 PM. Serial dilutions of compounds are made using Tecan D300e Digital Dispenser in 9 concentrations with serial 1:3 dilutions. 100 nL of compound solution is transferred to the 384-well assay plate per well, covering a range between 1 &#956;M and 0.15 nM minimum in duplicate. 10 nM (final assay concentration) KRAS G12D, 5 nM (final assay concentration) SOS1 and 10 &#956;M (final assay concentration) GDP are mixed in assay buffer, and 5 &#956;L of KRAS SOS1 GDP mix is added into the assay plate to the 100 nL of compound solution (final dilution in the assay 1:100, final DMSO concentration 1%). After a 30 min incubation, AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads are mixed in assay buffer at a concentration of 5 g/mL (final assay concentration), and 5 &#956;L of bead mix is added into the assay plate. Plates are kept at room temperature in a darkened incubator for 3 h. After a 3 h incubation, the signal is determined using Envision (PerkinElmer). The excitation wavelength is 680 nm, and emission 615 nm. IC50 values are calculated and analyzed using GraphPad Prism.
11832	1	DGKA Inhibition ADP-Glo Assay	The DGKA inhibition reactions were performed using ADP-Glo assay. The reactions were carried out in 50 mM HEPES, 100 mM NaCl, 10 mM MgCl2, 1 mM CaCl2, 0.005% TritonX-100 and 1 mM DTT as working solution (pH=7.5). 30 nL DMSO solution of each test compound (Top concentration 0.4 &#956;M with 10 point, 4-fold dilution series for each compound) were transferred to 384 well plate by Echo and 5 &#956;L DGKA (SignalChem, D21-10BG) enzyme working solution at 2×final reaction concentration was added to each well. After incubated at 25° C. for 15 minutes, 5 &#956;L substrate working solution contain 40 &#956;M ATP (Promega, V915B) and 200 &#956;M DLG (SignalChem, D430-59) were added to initiate reaction. After enzymatic reaction at 25° C. for 60 min, ADP Glo assay reagents (Promega, V9102) were added and luminescence was recorded using an EnVision following the instruction of manual. The percent inhibition was calculated from luminescence by no enzyme control reactions for 100% inhibition and DMSO only reactions for 0% inhibition. The IC50 value was calculated via a regression analysis of the inhibition rate.
11833	1	Radioligand Binding Assay	Adjust pH to 7.4 followed by 0.2 &#956;M sterile filtration ii. 8 doses of reference and exemplary test compounds were prepared starting from 10 mM stock solution as requested by 5-fold serial dilutions with 100%; iii. (v/v) DMSO was prepared: a. 50 &#956;l/well of 0.5% (v/v) PEI was added to UniFilter-96 GF/B plates. The plates were sealed and incubates at 4 C. for 3 hrs; b. After incubation, the plates were washed 3 times with ice-cold wash buffer (50 mM Tris, pH7.4); iv. Preparation of assay plates: a. Cell membrane was diluted with assay buffer and 330 &#956;l/well was added to 96 round deep well plates to reach a concentration of 20 &#956;g/well; b. 8 concentrations of reference or exemplary test compounds were prepared and added 110 &#956;l/well to 96 round deep well plates; c. [3H]-ketanserin was diluted with assay buffer to 5 nM (5 final concentration) and added 110 &#956;l/well to 96 round deep well plates. v. The plate were centrifuged at 1000 rpm for 30 secs and then agitated at 600 rpm, R.T. for 5 min. vi. The plates were sealed and incubated at 27 C. for 90 min. vii. The incubation was stopped by vacuum filtration onto GF/B filter plates followed by 4 times washing with ice-cold wash buffer (50 mM Tris, pH7.4). vii. The plates were dried at 37 C. for 45 min. ix. The filter plates were sealed and 40 &#956;l/well of scintillation cocktail added. x. The plate was read by using a Microbeta2 microplate counter.
11834	1	SARM1 NADase HPLC-Based Assay 2	Reaction mixtures were prepared on ice by mixing 10 ul of SARM1 SAM-TIR cell lysate (320 fold dilution of lysate 11-3-2016, or 80 fold lysate dilution for assessment of time dependence) in PBS (pH 7.4) with 5 ul of compound stock. Compounds were first dissolved DMSO at 10 mM (final stock concentration). A 10 point compound dilution curve was prepared first with a 20 ul to 40 ul serial dilution in DMSO, followed by a 10 fold dilution (12 ul+108 ul) in PBS. Top concentration of compound in the assay is 250 uM. Compound and lysate were then preincubated, in duplicate, for various amounts of time (zero or 120 minutes for analysis of time dependence). 5 ul of 20 uM NAD+ (5 &#956;M final concentration) was then added for a final reaction volume of 20 &#956;l. The reaction was incubated at 37° C. for 60 (or 10 minutes @ room temp for assessment of time dependence), then stopped by addition of 180 &#956;l of 0.55 M perchloric acid (HClO4). The reactions were then place on for 10 min, 16.6 &#956;l of 3 M K2CO3 was added to neutralize the solution. Precipitated salts were removed by centrifugation 10 min at 4,000 rpm (Sorvall ST 16R centrifuge). 80 ul of the supernatant was analyzed by HPLC (Waters 2695) with Kinetex (50×4.6 mm, 5 &#956;m; Phenomenex). NAD and metabolites were eluted with a 1 ml/min gradient from 100% A: KPO4 (5.026 g K2HPO4 and 2.876 KH2PO4 in 1 L H2O) to 3% methanol in 1 minute, followed by a linear gradient to 15% methanol in 1.5 minutes, held for 1 minute before returning to 0% methanol for 2.5 minutes for re-equilibration. NAD (3 minutes) and ADPR (1.5 min) were monitored by absorbance at 260 nm. Percent control conversion was established for each compound concentration. Blank (no lysate NAD only) values for ADPR were subtracted from samples and control (lysate+NAD) and control values from NAD depletion were subtracted from samples and blank to determine maximal ADPR conversion or NAD depletion (lysate dilutions used typically produced about a 50% conversion). Blanks and controls were run in triplicate (or more) then averaged. Duplicate data points from the 10 point dose curves were plotted using Grafit and IC50&#39;s were calculated using a 4 Parameter log fit.
11834	2	SARM1 NADase ADPR production	This assay is an adaptation of the NAD+/NADH Glo assay (Promega G9071). In this assay, NAD+ cycling enzymes convert NAD+ into NADH. In the presence of NADH, the reductase enzymatically converts a pro-luciferin reductase substrate into luciferin. Luciferin is detected using Ultra-Glo rLuciferase, and the chemiluminescence intensity is proportional to the amount of NAD+ and NADH in the sample. In our assay conditions, the amount of NAD+ and NADH present in the lysate is undetectable with this assay, precluding any endogenous contribution to the final NAD+ detected. The assay was set up as follows: 2 &#956;l inhibitor (final concentration 1 &#956;M, 2% DMSO), 0.07 &#956;g lysate (2 &#956;l), and 2 &#956;l of 400 nM NAD+. The reaction was incubated at 37 C. for 60 min, then 6 &#956;l NAD+/NADH Glo detection reagent was added. After 30 min at room temperature, the luminescent signals were quantified using an Analyst HT reader (LJL Biosystems). The SARM1 SAM-TIR lysate catalyzed a dose-dependent depletion of NAD+, whereas NAD+ levels did not decline when reactions were performed with lysate prepared from control NRK1-HEK293T cells.
11835	1	DHODH Kinetic Analysis	The 50% inhibitory concentration (IC50) for the described compounds was determined using the 2,6-dichloroindophenol (DCIP) assay to monitor the DHODH reaction rate at 25° C. in assay buffer (100 mM HEPES, pH 8.0, 150 mM NaCl, 10% glycerol, 0.1% Triton X-100 reduced, 20 &#956;M CoQD, 200 &#956;M L-DHO and 5-20 nM enzyme) as described in Malmquist et al., 2008, supra. Inhibitor stocks (100 mM) were prepared in DMSO in amber bottles. A 3-fold dilution series was generated in DMSO from these stocks and then dispensed into assay buffer via a 1/100 dilution to generate a final concentration range of 0.001-100 &#956;M (1% DMSO final). Data were collected using triplicate technical replicates and where indicated additional biological replicates were collected (the number of biological replicates is provided in parenthesis). IC50&#39;s were determined by fitting the data to log (inhibitor) vs. response equation Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((X&#8722;Log IC50))) in GraphPad Prism. Compounds in the invention show potent activity versus P. falciparum DHODH but importantly, unlike DSM265, they show equivalent activity on P. vivax and P. falciparum DHODH (see above methods for protein purification and enzyme assays)(Table 2). Furthermore, the compounds of the invention do not inhibit any of the tested mammalian DHODHs including human DHODH and they also retain their selectivity versus DHODHs from important toxicologic models (including mouse, rat and dog).
11835	2	P. falciparum growth and inhibition assays	P. falciparum 3D7 cells were grown in RPMI media supplemented with 0.5% albuMAX I, human red blood cells to 0.5% hematocrit and 0.5% parasitemia as described (Coteron et al., 2011, J. Med. Chem., 54, 5540-5561). DSMO inhibitor stocks (as above) were diluted in DMSO using a 2 or 3-fold dilution series and then dispensed into media at 10× the final concentrations. A second step into media led to final inhibitor concentrations ranging from 0.001-30 &#956;M and a final DMSO concentration of 0.2%. Parasites in the presence of either DMSO controls or DHODH inhibitors were grown at 37° C. for 72 h before growth was assessed using the SYBR Green method (as described in Bennett et al., 2004, Antimicrob Agents Chemother, 48 (5), 1807-10 with minor modifications as described in Deng, 2014, J Med Chem, 57 (12), 5381-94), which measures fluorescence (ex./em. 485/535 nm) as the output. Data were collected using triplicate technical replicates and where indicated additional biological replicates were collected (the number of biological replicates is provided in parenthesis). The 50% effective concentration (EC50) was determined by fitting data to log (inhibitor) vs. response equation Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((X&#8722;Log IC50))) equation in GraphPad Prism.
11836	1	GPR40 agonistic activity	hGPR40-CHO stably transfected cells were seeded into a 96-well plate at a density of 3×104/well, and incubated overnight in a 37° C., 5% CO2 cell incubator; the medium was discarded, 100 &#956;l of HBSS was added to each well, and 100 &#956;l of Fluo-4 dye solution containing Probenecid was added and incubated at 37° C. for 90 min. After the incubation, the Fluo-4 dye solution was sucked out, 100 &#956;l of HBSS buffer was added, and the dye was washed away; 100 &#956;l of HBSS containing Probenecid was added to each well, and incubated at 37° C. for 10 min; different concentrations of drugs were added to each well of the 96-well plate and FLIPR (Molecular Devices) was used for readings according to the parameter setting table. The experimental results were analyzed. Agonistic activity=(compound well fluorescence value&#8722;blank control well fluorescence value)/(linoleic acid well fluorescence value&#8722;blank control well fluorescence value)×100%, finally compounds with better agonistic activity were selected to determine their EC50 at 100 nM.
11837	1	GFP-NFAT translocation assay	Using the GFP-NFAT translocation assay method, the inhibitory activity of the selected compounds at 200 &#956;M concentration was evaluated. As demonstrated in Table 2, several compounds showed good inhibition of CRAC channel, for example, Compounds 53, 62, 65, and 66. Then, IC50 values were calculated, with Compound 53 having the lowest IC50 at 8.14 &#956;M. This IC50 value demonstrates an order of magnitude, e.g., about tenfold, improvement compared to the IC50 of the lead Compound 41 (shown in Table 1). Based on the result, a series of Compound 53 analogues was designed and synthesized de novo.
11839	1	Biochemical AlphaScreen assay	All experiments were performed in shite opaque 384-well plates from PerkinElmer (Waltham, MA) with an assay buffer of 25 mM HEPES (pH=7.4), 100 Mm nAcL, 0.1% BSA, and 0.01% Triton X-100. All sample signals were read on a excitation wavelength was set at 680 nm and emission at 570 nm. All of the final reaction volumes were set to 25 &#956;L. In the cross-titration experiments of the wild-type &#946;-catenin//wild-ty-e BCL9 interaction, N-terminally biotinlyated BCL9 (from 0 to 60 nM) and C-terminally His6-tagged &#956;catenin (2.5, 5, 10, 20, 40, and 80 nM) were titrated in 20 &#956;g/mL) were added. The mixture was then covered black and incubated at 4° C. for 1 h before detection. All addition and incubation was made under subdued lighting conditions due to the photosensitivity of the beads. The data were analyzed by nonlinear least-square analyses using GraphPad Prism 5.0. Each experiment was repeated three times, and the results were expressed as mean ±standard deviation. The competitive binding experiments were performed to determine the apparent Kd values. The rule of the competitive binding experiments for associating the IC50 value with the Kd value are: (1) the expected Kd value should be 10 times higher than the concentration of either tested protein: (2) the concentrations of both tested proteins should be lower than the binding capacities of their respective beads; and (3) the concentration of the target protein (His6-tagged &#946;-catenin) should be 10 times lower than that of the ligand protein (biotinylated BCL9). In the completive binding experiments to determine the Kd value for &#946;-catenin/BCL9 interactions, 5 nM of N-terminally biotinylated BCL9, 0.5 nM of C-terminally His6-tagged &#946;-catenin, and different concentrations of unlabeled BCL9 peptide (0-50 &#956;M) were incubated at 4° C. in 20 &#956;L assay buffer for 2 h. The donor and acceptor beads were added to a final concentration of 10 &#956;g/mL in 25 &#956;L assay buffer. The mixture was covered black and incubated for 1 h at 4° C. before detection. The IC50 values, which sere also the apparent Kd values from the AlphaScreen assay, were determined by nonlinear least-square analyses using GraphPad Prism 5.0. Each experiment was repeated three times, and the results were expressed as mean ±standard deviation
11840	1	Measurement of Inhibitory Activity on AT1 Receptor (AT1R)/AT2 Receptor (AT2R)	Through the following steps, the inhibitory activity of the compound on AT1R/AT2R (IC50 value) was determined: 1) An appropriate amount of 1 TLB (Tag-lite Buffer) was prepared and well mixed for use. 2) The compound was diluted by 10 times with ddH2O or DMSO. The compound was then dilute to 4 times of the working concentration with IX TLB and mixed well for use. 3) 8600 nM Tag-lite angiotensin receptor red agonist was diluted to 12 nM (4 Kd) with 1 TLB. 4) 5 ml 1 TLB was taken into a 15 ml centrifuge tube. 5) After thawing 1 tube of Tb-labeled AT1R/AT2R cells in a 37 C. water bath, the cells were quickly transferred to the IX TLB in step 4), mixed gently, and centrifuged at 1200 g for 5 minutes at room temperature. 6) The supernatant was aspirated gently, and the cells were resuspended and mixed in 2.7 ml 1 TLB, and then placed at room temperature until use. 7) 10 &#956;l cells were added to all test wells, and 5 &#956;l 4 working solution of the compound from step 2) was added to the corresponding test wells. 5 &#956;l 4 Tag-lite angiotensin receptor red agonist well diluted in step 3) was added to all test wells. 8) After leaving the reaction plate at room temperature for 1 h, data were measured and analyzed using Envision HTRF Reader, and the half inhibitory concentration (IC50) of the compound on AT1R/AT2R was calculated with the GraphPad Prism four-parameter equation.
11841	1	Measuring Antiviral Effect of Compounds	Vero E6 cells were selected for expression of the SARS CoV receptor (ACE2; angiotensin-converting enzyme 2) was used for the CPE assay. Cells were grown in MEM/10% HI FBS supplemented and harvested in MEM/1% PSG/supplemented with 2% HI FBS. Cells were batch inoculated with appropriate coronavirus (Toronto 2 SARS CoV-1 or USA_WA1/2020 SARS CoV-2) at M.O.I. 0.002, which results in 5% cell viability 72 (for SARS) hours post infection. Assay Ready Plates (ARPs; Corning 3712BC) pre-drugged with test compounds (30-90 nL sample in 100% DMSO per well dispensed using a Labcyte ECHO 550) were prepared in the BSL-2 lab by adding 5 &#956;L assay media to each well. The plates were passed into the BSL-3 facility where a 25 &#956;L aliquot of virus inoculated cells (4000 Vero E6 cells/well) was added to each well in columns 3-22. The wells in columns 23-24 contained virus infected cells only (no compound treatment). Prior to virus infection, a 25 &#956;L aliquot of cells was added to columns 1-2 of each plate for the cell only (no virus) controls. After incubating plates at 37 C./5% CO2 and 90% humidity for 72 hours, 30 &#956;L of Cell Titer-Glo (Promega) was added to each well. Luminescence was read using a Perkin Elmer Envision or BMG CLARIOstar plate reader following incubation at room temperature for 10 minutes to measure cell viability. Raw data from each test well was normalized to the average signal of non-infected cells (Avg Cells; 100% inhibition) and virus infected cells only (Avg Virus; 0% inhibition) to calculate % inhibition of CPE using the following formula: % inhibition=100*(Test Cmpd&#8722;Avg Virus)/(Avg Cells&#8722;Avg Virus). The SARS CPE assay was conducted in BSL-3 containment with plates being sealed with a clear cover and surface decontaminated prior to luminescence reading.
11842	1	Potentiator Assay	Fischer Rat Thyroid (FRT) epithelial cells, stably expressing human &#916;F508-CFTR were used as monolayer cultures on permeable supports. Cl&#8722; current was measured using the short circuit current technique, under an imposed basolateral to apical Cl&#8722; gradient in Ussing chambers. To measure stable Cl&#8722; currents, FRT cells were cultured for 48 h at 27° C. to facilitate the insertion of &#916;F508 CFTR into the plasma membrane. Ussing chamber studies were likewise conducted at 27° C. Under these conditions, the effects of cumulative additions of test compounds on &#916;F508 CFTR currents could be quantitated with both potency and efficacy endpoints. Compounds were added to both the apical and basloalteral sides subsequent to addition of 10 &#956;M forskolin. Efficacy of compounds was compared to a known potentiator such as gensitein.
11843	1	In Vitro JAK Kinase Assay	JAK1 inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC5os of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, 1 mM ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
11844	1	In Vitro Kinase Binding Assay	Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32 C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SEABLOCK (Pierce), 1% BSA, 0.05 % Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1 binding buffer (20% SEABLOCK , 0.17 PBS, 0.05 % Tween 20, 6 mM DTT). Test compounds were prepared as 111 stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1 PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1 PBS, 0.05% Tween 20, 0.5 &#956;M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
11845	1	Glosensor cAMP assay	In Vitro Evaluation of GPR52 Activation. Newly synthesized compounds were evaluated in a twelve-point concentration-response for GPR52 agonist activity using the Glosensor cAMP assay in HEK293 cells transiently expressing human GPR52. Transient expression of GPR52 resulted in a dramatic increase in basal cAMP levels (>100 fold over empty vector, FIG. 6 ), indicating that GPR52 displays high constitutive activity for the cAMP pathway. As summarized in Tables 1-4, the EC50 (nM) indicates the potency of these novel GPR52 agonists, while the efficacy (Emax) indicates the maximal activity to increase cAMP. The previously reported GPR52 agonist compound 4 was used as the reference compound to highlight SAR comparisons.
11846	1	Biochemical QPCT and QPCTL Activity Assay	QPCT or QPCTL dependent conversion of N-terminal glutamine to pyroglutamate of CD47 was monitored via MALDI-TOF MS. Test compounds were dissolved in 100% DMSO and serially diluted into clear 1,536-well microtiter plates. Enzymatic reactions were set up in assay buffer containing 20 mM Tris pH 7.5, 0.1 mM TCEP, 0.01% BSA, and 0.001% Tween20. 2.5 &#956;L of 2× concentrated QPCTL (in-house) or QPCT (Origine #TP700028) enzyme in assay buffer (0.5 nM final concentration, columns 1-23) or plain assay buffer (columns 24) were added to each well. The plates were incubated for 10 min in a humidified incubator at 24° C. Subsequently, 2.5 &#956;L of CD47 peptide substrate surrogate (19QLLFNKTKSVEFTFC33) was added to each well (final concentration: 10 &#956;M for QPCTL/20 &#956;M for QPCT). The plates were mixed for 30 sec at 1,000 rpm and subsequently incubated for 40 min in a humidified incubator at 24° C. After incubation, the enzymatic reaction was stopped by adding 1 &#956;L containing stable isotope labeled internal standard peptide 19[Pyr]LLFN(K)TKSVEFTFC33 (final concentration 4.0 &#956;M) as well as SEN177 (final concentration 10 &#956;M). The plates were sealed with an adhesive foil, mixed for 30 s at 1,000 rpm and stored at room temperature until preparation of the MALDI target plates. MALDI target plates were prepared as described previously.1 Mass spectra were acquired with a rapifleX MALDI-TOF/TOF instrument tracking the signals of the product (19[Pyr]LLFNKTKSVEFTFC33, m/z 1,787.9037) as well as internal standard (19[Pyr]LLFN(K)TKSVEFTFC33, m/z 1,795.9179) peptide. QPCT or QPCTL activity was monitored by calculating the ratio between product and internal standard signals followed by normalization to high (100% activity) and low (0% activity) controls. Determination of compound potencies was obtained by fitting the dose-response data to a four-parameter logistical equation.
11847	1	THR Reporter Gene Method	Huh7 cells were cultured in a DMEM medium supplemented with 10% FBS. The cells were inoculated into a 10 cm cell culture dish, proliferated to about 90% confluency, and co-transfected by using a liposome (Lipofectamine 2000) with human THRa eukaryotic expression plasmid or human THR&#946; eukaryotic expression plasmid, as well as reporter gene plasmid PGL4.26-DR4-Luc containing THR response sequence driver. The operation steps were carried out according to the instructions of Lipofectamine 2000. The next day after transfection, the cells were inoculated with a phenol red-free DMEM (supplemented with 5% activated carbon-treated FBS) into a 96-well cell culture plate at a seeding density of 20,000 cells per well and a volume of 135 &#956;L per well. The cells adhered to wall 6 hours after the inoculation. Compounds dissolved in DMSO were diluted in phenol red-free DMEM (supplemented with 5% activated carbon-treated FBS) to be 20 to 10 times of the final concentration, and added to the cell wells at 15 &#956;L per well, that is, the compounds were diluted 10 times again to reach the final concentration. Triiodothyronine T3 (100 nM) was set as a positive control, and 0.5% DMSO was set as a blank control. After the compounds were added, the cells were cultured at 37 C. in a 5% CO2 incubator overnight (16 hours). After incubation, the culture medium was discarded, and each well was added with 35 &#956;L of serum-free and phenol red-free DMEM and 35 &#956;L of Steady-Glo, shaked for 10 minutes in the dark, and the chemiluminescence value of the sample was detected. The agonistic activity of the compound was calculated as follows: % effect=(compound&#8722;blank control)/(positive control&#8722;blank control) 100%. The EC50 of the compound was obtained by fitting the agonistic activity of the compound and the logarithmic value of the compound concentration with GraphPad Prism. The lower the EC50 value, the better the activity.
11848	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid Hormone Receptor Agonist Screening	LanthaScreen TR-FRET Thyroid Receptor alpha Coactivator Assay kit (ThermoFisher) and LanthaScreen TR-FRET Thyroid Receptor beta Coactivator Assay kit (ThermoFisher) were used for agonist compound screening. Compounds in DMSO were diluted using ECHO Liquid Handler (Labcyte Inc.) into 384 plates in 10-point 3-fold series in duplicate (5 micro M final top concentration). Buffer C (ThermoFisher) was added to each well before the 4 mixture of fluorescein-SCR2-2 coactivator (200 nM final concentration), Terbium-labeled anti-GST antibody (2 nM final concentration), and TR alpha-LBD (0.4 nM final concentration) or TR beta-LBD (1.0 nM final concentration) was added. After 2 hour incubation at room temperature in dark, the TR-FRET signal was measured on an EnVision plate reader (PerkinElmer) with excitation at 340 nm and dual emission readout at 495 and 520 nm with the delay time of 100 micro second and the integration time of 200 micro second. The ratio of emission signal at 520 and at 495 was used to calculate EC50 using GraphPad Prism (GraphPad Software). In every batch of compound screening, T3 (L-3,3&#8242;,5-Triiodothyronine sodium salt, >95%) (Calbiochem) was used as reference compound. The EC50 of T3 measured were within 3-fold of the reference value provided by the assay kit manufacturer (ThermoFisher Scientific). The Z&#8242; factors measured in every batch of screening using T3 as high percent effect (HPE) control and 0.5% DMSO as zero percent effect (ZPE) control were in the range of 0.5 to 0.8. Compounds&#39; THR-beta selectivity values are derived from T3-selectivity normalized data.
11848	2	THR/RXR Heterodimer Assay for Thyroid Hormone Receptor Agonist Screening	Test compounds were prepared as 10 mM DMSO stock solutions. The stock solution (45 uL) was transferred to a 384-well assay plate, and 3-fold, 10-point dilutions were performed by transferring 15 &#956;L of the compound solution into 30 &#956;L DMSO using TECAN (EVO200) liquid handler. The compound solutions (200 nL, serially diluted) and the positive control triiodothyronine (T3) (100 nL) were transferred to an assay plate using ECHO550. Next, H6-THR-&#945; (150.64 uM, 10 &#956;L) or H6-THR-&#946; (32.57 uM, 10 &#956;L) in binding buffer (50 mM HEPES, pH 7.0, 1 mM DTT, 0.05% NP40, 0.2 mg/mL BSA) was mixed with retinoid X receptor alpha (RxR&#945;) (146.76 uM, 10 &#956;L) in binding buffer, and transferred to the 384-well assay plate containing T3 or compound solution. After incubation at 37° C. for 30 min, biotin-GRIP1 peptide (3262.1 uM, 10 &#956;L) in binding buffer and 5% DMSO was added to the 384-well assay plate and incubated at 37° C. for 30 min. A solution (10 &#956;L) containing europium-conjugated anti-hexa(His) antibody (0.625 uM) and APC-conjugated streptavidin (1.18 uM) in buffer (50 mM Tris, pH 7.4, 100 mM NaCl, and 0.2 mg/mL BSA) was then added to the 384-well assay plate and incubated at 25° C. for 60 min. The assay plate was read using Envision (PerkinElmer), using T3 as the positive control for both THR-&#946;/RXR-&#945; and THR-&#945;/RXR-&#945; activity. DMSO was used as the negative control. Compound activity for the THR-&#946;/RXR-&#945; and THR-&#945;/RXR-&#945; assays were normalized to T3 activity for each assay run. THR-&#946; selectivity was calculated by dividing the normalized THR-&#946;/RXR-&#945; compound activity by the normalized THR-&#945;/RXR-&#945; compound activity. 
11849	1	Determination of FXIIa Inhibition	In vitro inhibition of Factor XIIa was determined using an IC50 assay based on standard literature methods (see e.g Baeriswyl et al., ACS Chem. Biol., 2015, 10 (8) 1861; Bouckaert et al., European Journal of Medicinal Chemistry 110 (2016) 181). Human Factor XIIa (Enzyme Research Laboratories) was incubated at 25° C. with the fluorogenic substrate H-DPro-Phe-Arg-AFC (Peptide Protein Science) and various concentrations of the test compound. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 min at 25° C. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. The Km for the cleavage of the substrate by FXIIa was determined by standard transformation of the Michaelis-Menten equation. The compound inhibitor assays were performed at substrate Km concentration. IC50 values were calculated as the concentration of inhibitor giving 50% inhibition (IC50) of the uninhibited enzyme activity (100%).
11849	2	Determination of Related Protease Inhibition	In vitro inhibition of related proteases was determined using an (C50 assay based on standard literature methods (see e.g. Shori et al., Biochem. Pharmacol., 1992, 43, 1209; Bouckaert et al., European Journal of Medicinal Chemistry 110 (2016) 181). Human serine protease enzymes Plasma Kallikrein, KLK1, FXa, Plasmin, Thrombin and Trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate at Km concentration, FXIa at fixed substrate concentration of 100 &#956;M, and various concentrations of the test compound. Protease activity was measured by monitoring the accumulation of liberated fluorescence from the substrate over 5 mi at 25&#8242;C. The linear rate of fluorescence increase per minute was expressed as percentage (%) activity. IC50 values were calculated as the concentration of inhibitor giving 50% inhibition of the uninhibited enzyme activity (100%).
11850	1	TBD	TBD
11850	2	TBD	TBD
11851	1	DGAT2 Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product 13C18-triolein (13C-1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in ABgene 384-well assay plates in a final volume of 25 &#956;L at rt. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 5 &#956;M of 13C oleoyl-CoA and 8 ng/&#956;L of DGAT2 membrane.
11852	1	Coupled Nucleotide Exchange Assay	Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with serially diluted compound for either 2 h or 20 h. For all subsequent steps, DTT was added to the reaction buffer at a final concentration of 1 mM. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 5 min. The assay plates were then read on a plate reader measuring luminescence signal. Signal intensity of compound-containing wells were normalized to DMSO control, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
11853	1	In Vitro Assay: IC50 Measurements for Binding to CRBN/DDB1	The binding potency was determined using HTRF assay technology (Perkin Elmer). Compounds were serially diluted in DMSO and 0.2 &#956;L volume was transferred to white 384-well plate. The reaction was conducted in total volume of 20 &#956;L with addition of 2 nM His tagged CRBN+DDB-DLS7+CXU4 (Wuxi, catalogue #RP210521GA) to compounds followed by addition of 60 nM Fluorescent probe Cy5-labeled Thalidomide (Tenova Pharma, catalogue #T52461), and 0.4 nM of MAb Anti-6HIS Tb cryptate Gold (Cisbio, catalogue #61HI2TLA in the assay buffer (50 mM HEPES pH 7.5, 1 mM TCEP, 0.01% Brij-35, 50 mM NaCl, and 0.1% BSA). After one hour incubation at room temperature, the HTRF signals were read on Envision reader (Perkin Elemer). Data were analyzed using XLfit using four parameters dose response curve to determine IC50s.
11853	2	Cereblon Binding Assay	The binding to cereblon (CRBN) was determined using the Cereblon Binding Kit (Cisbio, #64BDCRBNPEG) following the manufacturer&#39;s instruction. Briefly, serially diluted compounds were incubated with GST-tagged wild-type human CRBN protein, XL665-labelled Thalidomide and Europium Cryptate labelled GST antibody at room temperature for about 3 hours. Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) measurements were acquired on a CALRIOstar plate reader with MARS data analysis software (BMG Labtech), with the following settings: 665/10 nm and 620/10 nm emission, 60 s delay and 400 s integration. The TR-FRET ratio was taken as the 665/620 nm intensity ratio. The readings were normalized to the control (0.5%) and the IC50 was calculated by nonlinear regression (four parameters sigmoid fitted with variable slope) analysis using the GraphPad Prism 8 software.
11854	1	Cereblon Binding Assay	The binding to cereblon (CRBN) was determined using the Cereblon Binding Kit (Cisbio, #64BDCRBNPEG) following the manufacturer&#39;s instruction. Briefly, serially diluted compounds were incubated with GST-tagged wild-type human CRBN protein, XL665-labelled Thalidomide and Europium Cryptate labelled GST antibody at room temperature for about 3 hours. Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) measurements were acquired on a CALRIOstar plate reader with MARS data analysis software (BMG Labtech), with the following settings: 665/10 nm and 620/10 nm emission, 60 &#956;s delay and 400 &#956;s integration. The TR-FRET ratio was taken as the 665/620 nm intensity ratio. The readings were normalized to the control (0.50%) and the IC50 was calculated by nonlinear regression (four parameters sigmoid fitted with variable slope) analysis using the GraphPad Prism 8 software.
11855	1	Evaluation of Kd Values	The affinity of Example 1-14 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between galectin and a fluorescein tagged saccharide probe as described S rme, P., Kahl-Knutsson, B., Huflejt, M., Nilsson, U. J., and Leffler H. (2004) Fluorescence polarization as an analytical tool to evaluate galectin-ligand interactions. Anal. Biochem. 334: 36-47, (Sarme et al., 2004) and Monovalent interactions of Galectin-1 By Salomonsson, Emma; Larumbe, Amaia; Tejler, Johan; Tullberg, Erik; Rydberg, Hanna; Sundin, Anders; Khabut, Areej; Frejd, Torbjorn; Lobsanov, Yuri D.; Rini, James M.; et al, From Biochemistry (2010), 49(44), 9518-9532, (Salomonsson et al., 2010).
9492	1	Acetyltransferase Biochemical Assay	To determine the inhibition of KAT enzymatic activity by test compounds, assay reactions were conducted in a volume of 8 &#956;L in 384-well low volume assay plates. The reactions were performed in assay buffer (100 mM Tris-HCl, pH 7.8, 15 mM NaCl, 1 mM EDTA, 0.01% Tween-20, 1 mM Dithiothreitol, and 0.01% m/v chicken egg white albumin). Reactions were set up with 1 &#956;M Acetyl coenzyme A, 100 nM of full-length recombinant histone labelled by limited biotinylation (KAT6A, KAT6B, KAT7: H3.1, KAT5, KAT8: H4), 10/5/8/40/20 nM of KAT5/KAT6A/KAT6B/KAT7/KAT8 enzyme respectively, and an acetyl-lysine specific antibody (H3.1: Cell Signaling Technology, H4: Abeam). 11-point dilution series of the test compounds were prepared in DMSO; a volume of 100 nL was transferred using a pin tool into assay plates containing substrates, before adding enzyme to start the reaction. Positive (no compound, DMSO only) and negative (AcCoA omitted) control reactions were included on the same plates and received the same amount of DMSO as the compound treated wells. After adding all reagents, the plates were sealed with adhesive seals and incubated for 90 min at room temperature. An additional 4 &#956;L of assay buffer containing AlphaScreen Protein A acceptor beads and Streptavidin donor beads (PerkinElmer, Waltham, Mass.) to a final concentration of 8 &#956;g/mL was then added. After incubation for 2 hours the plates were read using an EnVision 2103 multi label plate reader (PerkinElmer) in HTS AlphaScreen mode. IC50 values were obtained from the raw readings by calculating percent inhibition (% I) for each reaction relative to controls on the same plate (% I=(I&#8722;CN)/(CP&#8722;CN) where CN/CP are the averages of the negative/positive reactions, respectively), then fitting the % I data vs. compound concentration [I] to % I=(A+((B&#8722;A)/(1+((C/[I]){circumflex over (&#8195;)}D)))) where A is the lower asymptote, B is the upper asymptote, C is the IC50 value, and D is the slope.
11856	1	FRET based assay	The ProcartaPlex Human p70S6K beta Simplex Kit measures the level of total p70S6K in cell lysates. It is designed to be combinable with other Simplex kits so you can create your own multiplex panel that utilizes Luminex xMAP technology for protein detection/quantitation. When combining multiple Simplex kits (i.e., when you are not using a pre-configured Multiplex Panel), only one buffer kit (sold separately) is needed for each assay plate regardless of plex size. For preparation of cell lysates, we recommend use of either ProcartaPlex Cell Lysis Buffer (Cat. No. EPX-999999-901) or Cell Extraction Buffer (Cat. No. FNN0011) supplemented with 0.5 M EDTA and Halt Protease and Phosphatase Inhibitor Single-Use Cocktail (100X) (Cat. No. 78440). These buffers are not included with the panel. Depending on your cell system, other buffers may be suitable as well.
11857	1	Mobility-Shift Assay	In this experiment, the inhibitory effects of small molecule inhibitors on 17 kinases were examined by using fluorescent microfluidic mobility shift assay (Mobility-Shift Assay).1. Buffer configuration: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.2. Compounds were configured in 100% DMSO in a concentration gradient and diluted with buffer to 10% DMSO, and added to 384-well plates. Compounds starting at 500 nM are prepared in 100% DMSO to 25 &#956;M and diluted in a gradient of 10 concentrations, then diluted 10-fold in buffer to make an intermediate dilution of the compound containing 10% DMSO and transferred 5 &#956;l to a 384-well plate.3. The kinase was diluted to optimal concentration with the following buffers: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, 2 mM DTT (final concentration of enzyme reaction: VEGFR-1 (FLT1): 2 nM; VEGFR-2 (KDR): 1.2 nM; VEGFR-3 (FLT4): 1.5 nM; FGFR1: 2 nM); FGFR2: 9 nM; FGFR3: 8 nM; FGFR4: 10 nM; PDGFR&#945;: 3.5 nM; c-MET: 10 nM; RET: 7 nM; EGFR: 6 nM). Transfer 10 &#956;l into a 384-well plate and incubate with the compounds for 10 min.4. The substrate was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35. where the final concentration of the reaction was as follows:VEGFR1 (FLT1): 3 &#956;M Peptide30 (5-FAM-KKKKEEIYFFF-CONH2), 278 &#956;M ATP, 10 mM MgCl2;VEGFR2 (KDR): 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 92 &#956;M ATP, 10 mM MgCl2;VEGFR3 (FLT4): 3 &#956;M Peptide30 (5-FAM-KKKKEEIYFFF-CONH2), 84 &#956;M ATP, 10 mM MgCl2;FGFR2: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 1.9 &#956;M ATP, 10 mM MgCl2;RET: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 23 &#956;M ATP, 10 mM MgCl2 5. Read the conversion rate with Caliper Reader and calculate the conversion rate as suppression, formula Percent inhIcition=(max&#8722;conversion)/(max&#8722;min)*100.6. Calculate the IC50 formula Y=Bottom+(Top&#8722;Bottom)/(1+(IC50/X){circumflex over (&#8195;)}HillSlope) by fitting it with XL-fit 5.4.0.8 software.
11857	2	Experimental Evaluation of the In Vitro Inhibitory Effect (IC50) of hERG	Stabilized cells were dropped onto circular slides and placed in a culture dish with a cell density below 50% and incubated overnight. Cells for experiments are transferred to a bath of approximately 1 ml embedded in an inverted microscope stage and perfused with extracellular fluid at a rate of 2.7 ml/min. The experiment can be started after 5 minutes of stabilization. Membrane currents were recorded using a HEKA EPC-10 membrane clamp amplifier and a PATCHMASTER acquisition system (HEKA Instruments Inc., D 67466 Lambrecht, Pfalz, Germany). All experiments were performed at room temperature (22 24 C.). A P-97 microelectrode puller (Sutter Instrument Company, One Digital Drive, Novato, Calif. 94949) was used to straighten the electrodes (BF150-110-10) in the experiments. The electrode had an inner diameter of 1-1.5 mm and an inlet resistance of 2-4 M&#937; when filled with internal fluid. hERG potassium channels were electrophysiologically stimulated by first clamping the membrane voltage at &#8722;80 mV, giving the cells a continuous 2 s, +20 mV voltage stimulation to activate the hERG potassium channels, and then repolarizing to &#8722;50 mV for 5 s to generate an outward tail current with a stimulation frequency of every 15 s. Current values are the peak tail currents.Channel currents were recorded in whole-cell recording mode in the experiments. First, the extracellular fluid (approximately 2 mL per minute) was perfused and recorded continuously, and the current was stabilized (Run-Down less than 5% for 5 minutes), at which point the peak tail current was the control current value. Next, the extracellular fluid containing the drug to be tested was instilled and recorded continuously until the inhibitory effect of the drug on the hERG current reached a steady state, at which point the peak tail current was the post-drug current value. The criterion for steady state was determined by the coincidence of the three most recent consecutive current recording lines. After reaching steady state, if the hERG current returned to or approached the size before the drug was added after washout with extracellular fluid, the test could be continued with other concentrations or drugs. 30 &#956;M Quinidine (Quinidine) was used as a positive control in the experiment to ensure that the cells used responded normally.
11858	1	Biochemical Assay for GCN2	Activity of GCN2 kinase was determined using a TR-FRET kinase activity assay (e.g. Riddle et al. Analytical Biochemistry (2006) 356(1) 108-116). Assays were conducted in 384-well plates (13 &#956;L assay volume) using 2 nM GCN2 (Carna Biosciences), 130 nM GFP-EIf2&#945; (Invitrogen), 0.2 mg/mL E. coli tRNA (sigma) and 1 mM ATP in kinase buffer (Invitrogen). Inhibition of GCN2 was measured by adding serial diluted test compound (final assay concentration of 0.5% DMSO) followed by a 3-hour incubation. Tb-peIF2&#945; (pSer52) antibody (Invitrogen) (2 nM final assay concentration) in kinase buffer containing ETDA (final assay concentration of 20 mM) was added. After a 60 min incubation at room temperature, TR-FRET was monitored using an excitation wavelength of 340 nm and emission wavelengths of 490 nm and 520 nm. The emission ratio (520/490) at each compound concentration of was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
11858	2	Biochemical Assay for PERK	Activity of PERK kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;L final volume) using 10 nM PERK (from Beryllium), 0.25 mg/mL Myelin Basic Protein substrate, 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.004% (w/v) BSA, and 0.004% Triton X-100). Inhibition of PERK was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 hours at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e. reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated using software routines in Prism (GraphPad software).
11859	1	Inhibition of LRRK2 and LRRK2 G2019S	The compounds were evaluated in LRRK2 and in the mutated form LRRK2 G2019S. This mutation is more frequent in the familial forms of Parkinson&#39;s Disease and has a significant increase in kinase activity. The experimental determination of the inhibition of both enzymes was carried out using the Adapta method, which is an evaluation method of fluorescent kinase activity that determines ADP in a highly sensitive manner. The methodology can be divided into two stages: kinase reaction and ADP determination. In the first stage, all the components for the kinase reaction are added to the well and incubated for 60 min. After the reaction, the ADP detection solution which contains a Europium-labeled anti-ADP antibody (Alexa Fluor 647 labeled ADP tracer) and EDTA, to stop the kinase reaction, are added to the reaction well. The ADP formed in the kinase reaction without inhibitor will displace the Alexa Fluor 647 labeled ADP tracer of the antibody, resulting in the TR-FRET signal decrease. In the presence of the inhibitor, the amount of ADP formed is reduced, which does not modify the antibody-tracer interaction and, therefore, has a higher TR-FRET signal.The assay is performed in 384-well plates. Adding 100 nL of the solution with the compound to be evaluated in 1% DMSO, 2.4 &#956;L of HEPES solution, 2.5 &#956;L of ATP solution, 4.5 &#956;L of substrate solution. The 10 &#956;l of the kinase reaction contain: 75-70 ng LRRK2 and 200 &#956;M ERM (LRRKtide) in 25 mM Tris/7.5 mM HEPES pH 8.2, 0.005% BRIJ-35, 5 mM MgCl2, 0.5 mM EGTA, 0.01% NaN3 or 3-12 ng LRRK2 G2019S and 200 &#956;M ERM (LRRKtide) in 25 mM Tris/7.5 mM HEPES pH 8.2, 0.005% BRIJ-35, 5 mM MgCl2, 0.5 mM EGTA, 0.01% NaN3. The plate is stirred for 30 s on a stirring plate and centrifuged for 1 min in a centrifuge at 1,000 g. The reaction is incubated at room temperature for 60 min. After this time period, 5 &#956;L of the detection mixture is added, the plate is stirred for 30 s on a stirring plate and centrifuged for 1 min at 1,000 g. Fluorescence is determined in a plate reader and the data are analysed.
11860	1	Luciferase assay	Medium including test compound was aspirated and washed with PBS. 50 &#956;l PBS including 1 mM Mg++ and Ca++ were then added to each well. The luciferase assay was performed using the LucLite kit according to the manufacturer&#39;s instructions (Packard Instruments). Light emission was quantified by counting on a Perkin Elmer Envision reader. To measure 3-galactosidase activity 25 &#956;l supernatant from each transfection lysate was transferred to a new 384 microplate. Beta-galactosidase assays were performed in the microwell plates using a kit from Promega and read in a Perkin Elmer Envision reader. The beta-galactosidase data were used to normalize (transfection efficiency, cell growth etc.) the luciferase data.
11861	1	Compound Activity by Fluorescent Polarization Assay	Compound activity was monitored in a fluorescence polarization (FP) homogeneous assay using 1-[5-({2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)ethoxy]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2-[(1E,3E)-5-[(2E)-1,3,3-trimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3H-indol-1-ium-5-sulfonate as a fluorescent probe. Unless otherwise stated, all reagents were purchased from Sigma Aldrich. Enzymatic reactions were conducted in Perkin-Elmer Black 384 well ProxiPlate Plus (catalogue no. 6008269) in 10 &#956;L total volume. Full length wild-type cereblon CRBN (80.0 nM, 10 &#956;L) was incubated in assay buffer containing 20 mM HEPES (pH 8.0), 150 NaCl, 0.5 mM TCEP and 0.05% Tween 20 in the presence or absence of compound (300 nL). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using the Storage Pod System. Compounds and DMSO were dispensed using the Echo ESXX (Labcyte Inc. USA) to give concentrations from 300 to 0.937 or 3000 to 9.3 nM in a 12 data point curve. Mutant YWAA CRBN (80.0 nM, 10 &#956;L) which does not interact with the fluorescent probe was used as a negative control for the assay. Following incubation at room temperature for 30 min, the assay was initiated by dispensing the probe to a final concentration of 5 nM (2.5 nL of a 20 &#956;M stock) using the Echo ESXX. FP was measured after a period of 12 hours using a Pherastar plate reader (BMG Labtech, Germany) exciting at 590 nm and measuring the amount of parallel and perpendicular light at 675 nm. The FP signal was subsequently normalized to the no-compound control (i.e., DMSO). Analysis and IC50 values were derived using Dotmatics (Dotmatics UK) software.
11862	1	Calcium Mobilization Assay	CHO-K1 EDG2 cells (DiscoverX cat #93-0644C2) expressing human LPAR1 (NM_001401.3) were seeded in a total volume of 25 &#956;L of Dulbecco&#39;s Modification of Eagle&#39;s Medium (DMEM) with 10% Fetal Bovine Serum, 1× PenStrepGlutamine, 300 &#956;g/ml Hygromycin, and 800 &#956;g/ml G418 into 384-well tissue culture plate (Grenier #781091) at 15,000 cells/well and incubated at 37° C. overnight. Prior to testing, 25 &#956;L Calcium Loading Dye Component A (FLIPR Calcium 6 Assay Kit Molecular Device #R8190) and 2.5 mM Probenecid (Invitrogen #P36400, prepared fresh) in Hank&#39;s Balanced Salt Solution (Corning #21-023-CV), 20 mM HEPES (Corning #25-060-CI), 0.1% Bovine Serum Albumin (Sigma-Aldrich #A7906-500G) was add to the cells for 60 minutes at 37° C.Agonist dose curves of LPA 18:2 (Avanti Polar Lipids cat #857138, 0.5 nM to 10 &#956;M) were recorded to determine the LPA 18:2 EC80 for subsequent antagonist assays. For agonist dose curves, cells were removed from the incubator 2 hours after dye loading and transferred to the FLIPR Tetra instrument (Molecular Devices, San Jose, CA). Calcium mobilization was monitored for 5 min and 10 &#956;L 6×LPA in HBSS/20 mM Hepes/0.1% bovine serum albumin (BSA) was added to the cells 5 seconds into the assay.To determine the LPAR1 antagonist activity of test compounds, cells were pre-incubated with test compound at a dose range of 0.5 nM to 10 &#956;M, followed by LPA at EC80 concentration (100 nM). After dye loading, cells were removed from the incubator and 0.3 &#956;L of 200× antagonist was added. Cells were incubated for 60 minutes at 37° C. Antagonist activity was measured on a FLIPR Tetra. Calcium mobilization was monitored for 3.5 minutes and 10 &#956;L 6× EC80 LPA in HBSS, 20 mM HEPES, and 0.1% BSA was added to the cells 5 seconds into the assay. Signal amplitude (Maximum minus minimum) values were plotted against log10 of antagonist concentration using Dose Response T
11863	1	Detecting Inhibition of cAMP Production	Agonist-promoted G-protein responses were determined by measuring changes in intracellular cAMP using the HTRF cAMP HiRange kit (CisBio, Cat #: 62AM6PEJ) based on time-resolved fluorescence resonance energy transfer (TR-FRET) technology. AssayComplete Cell Plating 11 Reagent was removed and replaced with Ham&#39;s F-12 (CellGro, Cat #: 10-080-CM) containing isobutyl-methyl-xanthine (IBMX; 500 &#956;M; Tocris Bioscience, Cat #: 2845), and NKH-477 (1.5 &#956;M; Tocris Bioscience, Cat #: 1603) along with test or control compounds at the desired concentrations. Following a 30-minute incubation at 37 C. and 5% CO2 in a humidified CO2 and temperature-controlled incubator, the components of the cAMP HiRange kit were added as per the manufacturer&#39;s instructions. After an hour incubation at room temperature, plates were analyzed by a BMG PheraStar microplate reader. Responses were measured as the ratio of fluorescence emission at 665 nm to fluorescence emission at 620 nm.
11863	2	Beta-Arrestin2 Recruitment Assay	Agonist-promoted &#946;-arrestin2 recruitment to the sphingosine-1-phosphate 1 receptor was determined using the &#946;-arrestin PathHunter ) Detection kit (DiscoverX Corporation, Cat #: 93-0001). In this system, &#946;-arrestin2 is fused to an N-terminal deletion mutant of &#946;-galactosidase (termed the enzyme acceptor or EA) and the C-terminus of the GPCR of interest is fused to a smaller (42 amino acids), weakly-complementing fragment 15 termed ProLink . In cells that stably express these fusion proteins, stimulation with a cognate agonist results in the interaction of 0-arrestin2 and the Prolink -tagged GPCR. This allows the complementation of the two &#946;-galactosidase fragments and results in the formation of a functional enzyme with &#946;-galactosidase activity. AssayComplete Cell Plating 11 Reagent was removed and replaced with Ham&#39;s F-12 containing IBMX (500 &#956;M), and NKH-477 (1.5 &#956;M) along with test or control compounds at the desired concentrations. Following a 60 minute incubation at 37 C. and 5% CO2 in a humidified CO2 and temperature-controlled incubator, the components of the &#946;-arrestin PathHunter Detection kit were added as per the manufacturer&#39;s instructions. After an hour incubation at room temperature, plates were analyzed by a BMG PheraStar microplate reader.
11863	3	Detecting inositol monophosphate production	S1P2 Agonist-promoted G-protein responses were determined by measuring changes in intracellular inositol monophosphate using the IP-one TB kit (CisBio, Cat #: 62IPAPEJ) based on time-resolved fluorescence resonance energy transfer (TR-FRET) technology. AssayComplete Cell Plating 2 Reagent was removed and replaced with 1 IP-one stimulation buffer (as per manufacturer&#39;s instructions) along with test or control compounds at the desired concentrations. Following a 60-minute incubation at 37 C. and 5% CO2 in a humidified CO2 and temperature-controlled incubator, the components of the IP-one TB kit were added as per the manufacturer&#39;s instructions. After an hour incubation at room temperature, plates were analyzed by a BMG PheraStar microplate reader. Responses were measured as the ratio of signal over background, fluorescence emission at 665 nm to fluorescence emission at 620 nm.
11863	4	hERG Channel Activity	The standard Automated Qpatch patch-clamp assay have been used and the selective hERG inhibitor E4031, serves as a positive control.
11864	1	TLR7/8/9 Inhibition Reporter Assays	HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible SEAP (secreted embryonic alkaline phosphatase) reporter gene under the control of the IFN-&#946; minimal promoter fused to five NF-&#954;B and AP-1-binding sites. Briefly, cells are seeded into Greiner 384 well plates (15000 cells per well for TLR7, 20,000 for TLR8 and 25,000 for TLR9) and then treated with test compounds in DMSO to yield a final dose response concentration range of 0.05 nM-50 &#956;M. After a 30 minute compound pre-treatment at room temperature, the cells are then stimulated with a TLR7 ligand (gardiquimod at a final concentration of 7.5 &#956;M), TLR8 ligand (R848 at a final concentration of 15.9 &#956;M) or TLR9 ligand (ODN2006 at a final concentration of 5 nM) to activate NF-&#954;B and AP-1 which induce the production of SEAP. After a 22 hour incubation at 37 C., 500 CO2, SEAP levels are determined with the addition of HEK-Blue Detection reagent (Invivogen), a cell culture medium that allows for detection of SEAP, according to manufacturer&#39;s specifications. The percent inhibition is determined as the 00 reduction in the HEK-Blue signal present in wells treated with agonist plus DMSO alone compared to wells treated with a known inhibitor.
11865	1	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET)	Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate.Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M). Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50.
11865	2	229E live virus assay	384-well black cell-culture-treated plastic clear-bottom plates are used in this assay. Using an ECHO liquid dispenser, 3-fold serial dilutions of control and test compounds suspended in DMSO are added to the plate wells in duplicate in a total volume of 125 nL per well. MRC-5 cells below passage 17 are seeded into the inner 240 wells of the 384-well plate at 1,500 cells per well in a volume of 12.5 &#956;L using Growth Media. Viral stock is then added to the wells at a multiplicity of infection (MOI) of 0.05 in a volume of 12.5 &#956;L per well, bringing the total volume of each well to 25 &#956;L. Each plate has a control row of 20 wells with cells plus DMSO and virus but no compound (positive control, max CPE, minimum ATPlite signal), and a row with cells plus DMSO but no compound or virus (negative control, minimum CPE, maximum ATPlite signal), and a row with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 12.5 &#956;L of growth media containing an equal quantity of glycerol as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer 2 rows/columns of wells are filled with 30 &#956;L of moat media (DMEM, 1% Penn/Strep) to act as a thermal and evaporative barrier around the test wells. Following addition of all components, the sides of the plates are gently tapped by hand to promote even cell distribution across the wells. Upon confirmation of cell distribution, plates are incubated at 34 C. in a CO2 humidity-controlled incubator for 6 days. Following the 6-day incubation period, the plates are read using ATPlite (12.5 &#956;L added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates are read using an Envision luminometer. These data are used to calculate the percent cell health per well relative to the negative control wells and the EC50 of each compound is calculated using ExcelFit software and 4-parameter logistical curve fitting analysis.
11866	1	BCA Protein Assay Kit	A 10 &#956;l of protein standard (BSA standard protein) was diluted to a final concentration of 0.5 mg/ml. 0, 1, 2, 4, 8, 12, 16, and 20 &#956;l of BSA standard protein and test samples (i.e., the foregoing total binding tube, the nonspecific binding tubes, and the sample tubes) were respectively added to a 96-well plate, and were added up to 20 &#956;l with the diluted BSA standard protein. 200 &#956;l of BCA working solution was added to each well, and incubated at 37° C. for 30 min. The absorbance at a wavelength of 562 nm was measured with a plate reader, and the protein concentration of each of the tubes was calculated according to the standard curves.
11867	1	Steroid Inhibition of TBPS Binding	[35S]-t-Butylbicylophorothionate (TBPS) binding assays using rat brain cortical membranes in the presence of 5 &#956;M GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987, 241, 346-353; Hawkinson et al, Mol. Pharmacol. 1994, 46, 977-985; Lewin, A. H et al., Mol. Pharmacol. 1989, 35, 189-194).Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500 g for 10 min at 4 C. The resultant supernatants are centrifuged at 10,000 g for 20 min at 4 C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na K phosphate pH 7.4 buffer and centrifuged at 10,000 g for 10 min at 4 C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 &#956;L) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 &#956;L aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 &#956;M GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 &#956;M unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
11867	2	Patch Clamp Electrophysiology 	Whole cell currents were measured with HEKA EPC-10 amplifiers using PatchMaster software or by using the high throughput QPatch platform (Sophion). Bath solution for all experiments contained (in mM): NaCl 137 mM, KCl 4 mM, CaCl2 1.8 mM, MgCl 2 1 mM, HEPES 10 mM, D-Glucose 10 mM, pH (NaOH) 7.4. In some cases 0.005% cremophor was also added. Intracellular (pipette) solution contained: KCl 130 mM, MgCl 2 1 mM, Mg-ATP 5 mM, HEPES 10 mM, EGTA 5 mM, pH 7.2. During experiments, cells and solutions were maintained at room temperature (19° C.-30° C.). For manual patch clamp recordings, cell culture dishes were placed on the dish holder of the microscope and continuously perfused (1 ml/min) with bath solution. After formation of a Gigaohm seal between the patch electrodes and the cell (pipette resistance range: 2.5 M&#937;-6.0 M&#937;; seal resistance range: >1 G&#937;) the cell membrane across the pipette tip was ruptured to assure electrical access to the cell interior (whole-cell patch-configuration). For experiments using the QPatch system, cells were transferred as suspension to the QPatch system in the bath solution and automated whole cell recordings were performed.
11868	1	Surface Plasmon Resonance (SPR) Binding Assay	Surface plasmon resonance (SPR) binding assay. All SPR studies were performed on a Biacore X100 plus or T200 instrument (GE Healthcare). Immobilization of purified His-DDB1 was carried out at 25° C. using a CM5 sensor chip. The surface was pre-equilibrated in HBS-EP running buffer (10 mM HEPES, pH7.4, 150 mM NaCl, 3 mM EDTA, 0.05% P20), then activated with EDC/NHS. His-DDB1 proteins were immobilized by amine coupling to a density of 11,000-13,000 resonance units (RUs) on flow cell FC2, whereas flow cell FC1 was used as reference. Both DDB1 immobilized and reference surfaces were deactivated with 1M ethanolamine.
11869	1	ALPHA Screen Assay with TLX LBD	Assays were performed according to the manufacturer&#39;s protocol (PerkinElmer, USA), with the following modifications: Ligands were tested for TLX-coactivator binding in 50 mM phosphate buffer, 150 mM NaCl, pH 7, 1 mM DTT and 100 &#956;M CHAPS. Ligands were dissolved and diluted in DMSO as stocks and were prepared in assay buffer from the original stock in the 100% DMSO and added to the assay plate. Biotinylated SRC peptide and polyhistidine tagged TLX LBD were diluted in assay buffer, subsequently added to respective ALPHA beads, under low light. The plates were spun down, mixed with a shaker and incubated for 120 minutes and read on a TECAN Plate reader using the manufacturer&#39;s protocol. The effective concentration that provokes 50% signal change (EC50) was calculated by nonlinear regression fit using Prism 7 software. Additional piperazine compounds were prepared and tested for TLX-coactivator binding according to the methods described above. Table 3 shows the dose response of piperazine-based compounds 31-96 that were also tested for TLX LBD targeting and coactivator recruitment using the ALPHA screen assay.
11870	1	NMN Fluorescence Biochemical Assay	Human Recombinant Enzyme Assay: Compounds described herein were assayed for their ability to stimulate the synthesis of nicotinamide mononucleotide (NMN) by the enzyme NAMPT. The human recombinant enzyme assay measures the activation of the enzyme activity by compounds using recombinant enzyme and substrates in a buffered cell-free system. The assay conditions closely mimic cellular environments. Dose responses were measured using an assay to detect the formation of nicotinamide mono-nucleotide. All experiments were performed in the 384-well format. Generally, 0.5 &#956;L of DMSO containing varying concentrations of the test compound was mixed with 10 &#956;L of the enzyme reagent solution. Enzyme reactions were initiated with the addition of 10 &#956;L of a solution containing the substrates. The final assay conditions were as follows: 6 nM human NAMPT, 2.5 mM ATP, 2011M PRPP and 15011M nicotinamide in 50 mM HEPES, pH 7.2, 1 mM DTT, 1 mM CHAPS 50 mM NaCl, 100 mM MgCl2. Following an incubation of 60 min at ambient temperature, 10 &#956;L of 20% acetophenone in DMSO was added, followed by 10 &#956;L of 2 M KOH and 40 &#956;L of formic acid. The plates were read for fluorescence (Excitation/Emission=355 nm/460 nm) using an EnVision plate reader after 40 mins of incubation at ambient temperature. The potency measurements for compounds, are quantified and represented as AC1.4 (the concentration of compounds that generates 40% higher activity over basal) and EC50 (concentration of the compound that gives half-maximal activation).
11871	1	Inhibitory Activity Against KHK In Vitro	Experiment of Inhibitory Activity Against KHK In Vitro: With the involvement of ATP, fructokinase phosphorylates fructose to produce fructose-1-phosphate and ADP. In this experiment, the effect of the compound on the activity of fructokinase was determined by measuring the amount of ADP produced in the process. Test compound stocks were prepared in DMSO. Before use, the stocks were 3-fold serially diluted with assay buffers (25 mM HEPES, 300 mM KCl, 10 mM MgCl2, 10 mM CaCl2), pH 7.0) to 5-fold the final concentration tested, and the DMSO content was adjusted to 1%. In a 384-well plate, the test compound was added to achieve a final concentration of 7.6 nM to 100 &#956;M (assay buffers containing 1% DMSO were added to background and control wells). 5 ng/&#956;L purified hKHK-C (assay buffers were added to background wells), 50 mM fructose and 0.2 mM ATP were added to reach a total volume of 10 &#956;L and reacted at room temperature for 30 min. After the reaction was completed, 10 &#956;L of ADP-glo (promega) was added and mixed uniformly, and the plate was incubated at room temperature for 40 min. Then the ADP-glo was added again, mixed uniformly and reacted for 40 min. The spontaneous luminescence intensity was measured using an Envision microplate reader.
11872	1	Binding Assay	Receptor binding assays were performed in 96-well format in deep-well plates. For each 96-well plate one ampule of membrane homogenate was thawed and diluted in binding buffer (50 mM Tris pH=7.4, 100 mM KCl) and 200 &#956;L was dispensed into each well. Radioligand [3H]Ro151788 (Perkin Elmer: NET757250UC) was prepared in binding buffer and added to each well in 50 &#956;L volume to give final concentration of 0.5 nM. Test compounds in suitable concentration(s) were added in additional 50 &#956;L. The final assay volume was 300 &#956;L. Incubation was carried out for 60 minutes at 4 C. For non-specific binding 10 &#956;M unlabeled diazepam was used. After incubation samples were filtered over UniFilter GF/BT using Filtermate Harvester (Perkin Elmer) and washed with 5 1 mL binding buffer. The plate was dried at 40 C. for an hour and 40 &#956;L Microscint (Perkin Elmer) scintillation cocktail was added to each well. The plate was read in Microbeta (Perkin Elmer).
11873	1	Inhibitory Effect Against DGKalpha Enzyme	First, 3×OAG (3 mM)/ATP (0.45 mM) substrate solution was prepared from 1× substrate assay buffer (40 mM MOPS (pH 7.2), 20 mM MgCl2, 1 mM DTT, 0.4 mM CaCl2), 3 mM sodium deoxycholate, 100 mM NaCl, 0.1 mg/mL BSA, 0.12% NP-40), and vortexed thoroughly for 3 minutes to induce detergent-lipid micelle formation. Then, 3×DGK&#945; (7.5 nM) enzyme solution was prepared from 2× enzyme assay buffer (80 mM MOPS (pH 7.2), 2 mM DTT, 200 mM NaCl, 0.2 mg/mL BSA) and vortexed for a short time. After preparing the above two solutions, a half-area opaque 96-well assay plate was prepared, and 10 &#956;L of 3× diluted compound solution (30 &#956;M to 0 &#956;M) was transferred to each well. Next, 10 &#956;L of 3×DGK enzyme solution was transferred to the same plate, mixed by pipetting, and then 10 &#956;L of 3×OAG/ATP substrate solution was added to the assay plate and mixed well. The plate was incubated at room temperature for 20 minutes for the enzyme reaction. Next, 15 &#956;L of ADP-Glo reagent was added to each well and mixed by pipetting, followed by incubating the plate at room temperature for 40 minutes to deplete the remaining ATPs. After this step, 30 &#956;L of kinase detection reagent was added and mixed, and the plate was incubated at room temperature for an additional 20 minutes and luminescence was measured by Envision to calculate the IC50 value of each compound.
11874	1	homogeneous time-resolved fluorescence (HTRF) binding assay	The following assay and stock buffers were prepared for use in the assay: (a) Stock buffer: 10 mM Tris-HCl, pH=7.5+150 mM NaCl, filtered, sterilized, and stored at 4° C.; and (b) 1× assay buffer, where the following ingredients were added fresh to stock buffer: 2 mM dithiothreitol (DTT), 0.0025% Tween-20, 0.1 mg/mL bovine serum albumin (BSA). The 1×Tb-Mcl-1+Cy5 Bim peptide solution was prepared by diluting the protein stock solution using the 1× assay buffer (b) to 25 pM Tb-Mcl-1 and 8 nM Cy5 Bim peptide. Using the Acoustic ECHO, 100 nL of 100× test compound(s) were dispensed into individual wells of a white 384-well Perkin Elmer Proxiplate, for a final compound concentration of lx and final DMSO concentration of 1%. Inhibitor control and neutral control (NC, 100 nL of 100% DMSO) were stamped into columns 23 and 24 of assay plate. Into each well of the plate was then dispensed 10 &#956;L of the 1×Tb-Mcl-1+Cy5 Bim peptide solution. The plate was centrifuged with a cover plate at 1000 rpm for 1 minute, then incubated for 60 minutes at room temperature with plates covered. The TR-FRET signal was read on an BMG PHERAStar FSX MicroPlate Reader at room temperature using the HTRF optic module (HTRF: excitation: 337 nm, light source: laser, emission A: 665 nm, emission B: 620 nm, integration start: 60 &#956;s, integration time: 400 is).
11875	1	ASGPR Measured Using Surface Plasmon Resonance (SPR)	The dissociation constants (KD) of compounds described herein to the ASGP receptor are measured in SPR experiments using a Biacore 8K instrument (GE Healthcare) at 25° C. Recombinant ASGPR protein is first biotinylated using Maleimide-PEG2-biotin reagent (Pierce, 19-fold molar excess) in phosphate-buffered saline (PBS) solution overnight at 4° C. Excess amount of biotin in the reaction mixture is removed by Zeba desalting columns (Thermo). Biotinylation is confirmed by mass spectroscopic analysis of ASGPR. Biotinylated ASGPR is then immobilized on SA sensor chips (GE Healthcare) with an immobilization level ranging from 1500-3000 resonance units (RU). The running buffer is 50 mM Tris, pH7.5, 150 mM NaCl, 50 mM CaCl2), 0.01% P20, 3% DMSO. The concentration of compounds sometimes vary from 2 mM to 50 &#956;M depending on KD values. The compounds are diluted 3 folds with total 8 concentration points. Solutions containing serially diluted compounds are injected at a flow rate of 50 &#956;L/min for 60 sec followed by a 180 sec dissociation phase for each concentration. Data is processed using the analysis software in Biacore 8K to perform background subtraction, double referencing and solvent correction. 
11876	1	NAMPT Enzyme Activating Effect (In Vitro Cell-Free Enzyme Assay	The NAMPT enzyme assay was conducted in accordance with the method of Formentini et al. (Formentini L. et al., Biochemical Pharmacology 77 (2009) 1612-20) by chemically converting nicotinamide mononucleotide (NMN) produced by the NAMPT enzyme to a fluorescent substance and using the fluorescence intensity of this fluorescent substance as an index for the amount of NMN produced. Hereinafter, the procedures will be briefly described. The NAMPT enzyme reaction was carried out using polypropylene 384 well V shaped black plate (Greiner Bio One International GmbH). The NAMPT activity was measured in assay buffer containing 50 mM HEPES, 50 mM NaCl, 5 mM MgCl2, 1 mM TCEP, 0.1% Prionex, 0.005% Tween 20, 0.12 mM adenosine triphosphate (ATP), 5 &#956;M nicotinamide (NAM), 6.25 &#956;M phospho-ribosyl pyro-phosphate (PRPP), 0.04 U/mL pyrophosphatase and 2 ng/mL human NAMPT enzyme in the presence or absence of test compounds. After the 1-h incubation at 25° C., the enzyme reaction was terminated by the addition of 5 &#956;L of 2 M KOH and 5 &#956;L of a 20% acetophenone solution. Then, 22 &#956;L of 88% formic acid was added and the mixture was further incubated for 30 min in the dark. The NAMPT enzyme activity was calculated as the difference between fluorescence intensity (Ex 380 nm/Em 450 nm) from the reaction of a test compound treatment group and fluorescence intensity from control reaction free from the NAMPT enzyme.[NAMPT enzyme activity]=[Fluorescence intensity of the test substance treatment group]&#8722;[Mean fluorescence intensity of the control reaction free from the NAMPT enzyme]
11877	1	In Vitro JAK Kinase Assay	Selective JAK1 inhibitors that can be used in combination with a ROCK inhibitor as described herein are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2, or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA). 
11878	1	AlphaScreen Assay	Materials:EZH2 (non-complexed), His-GST-tagsEED, FLAG-tag4× HMT Buffer 2Anti-FLAG AlphaLISA Acceptor BeadsAlphaScreen GSH Donor BeadsAssay Protocol (Calculated for 384 Wells or 1 Plate)Step One1. Thaw EED and EZH2 proteins on ice.2. Prepare 1× HMT Buffer 2:1.5 mL of 4× HMT Buffer 2+4.5 mL ddH2O.3. Prepare 1.2× EED-EZH2 solution in 1× HMT Buffer 2: 3.4 mL total2.1 uL of EED (0.41 mg/mL, 8.04 uM, 1:1608 dilution)+14 uL of EZH2 (0.24 mg/mL, 2.11 uM, 1:243 dilution)+3.384 mL of 1× HMT Buffer 24. Prepare 1.2× EZH2 solution in 1× HMT Buffer 2 (positive control): 0.168 mL total0.69 uL of EZH2 (0.24 mg/mL, 2.11 uM, 1:243 dilution)+167 uL of 1× HMT Buffer 25. Add 10 &#956;L of 1.2× EED-EZH2 or 1.2× EZH2 solution to each well.6. Add compounds in DMSO via Echo transfer and 30 nL DMSO for control wells.7. Centrifuge at 15,000 rpm for 10 seconds and allow to incubate at rt for 1 hour.Step Two1. Prepare 6× Anti-FLAG and GSH Donor beads in 1× HMT Buffer 2 in the dark: 1 mL total10 uL of Anti-FLAG (1:100 dilution)+5 uL of GSH Donor (1:200 dilution)+985 uL of 1× HMT Buffer 22. Add 2 &#956;L of bead solution to each well.3. Centrifuge at 15,000 rpm for 10 seconds and allow to incubate at rt for 1 hour in the dark.4. Read plate.Final Concentrations:12 &#956;L volume per well8.7 nM EZH25.0 nM EEDDMSO<0.5%Calculations:1. Average EZH2 only wells (positive control) and subtract from all other wells.2. Average EED-EZH2 only wells (negative control) to indicate 100% signal or 0% inhibition.3. Normalize each well to the average 100% signal from step 2.4. Report either as normalized % inhibition or normalized % signal.Use GraphPad to Calculate IC50.
11879	1	E-VIPR Assay Detecting and Measuring Nav Inhibition Properties	Assay Protocol (7 Key Steps):1) To reach the final concentration in each well, 400 nL of each compound was pre-spotted (in neat DMSO) into polypropylene compound plates at 250×desired final concentration from an intermediate stock concentration of 0.075 mM, in an 11 point dose response, 3-fold dilution, resulting in a top dose of 300 nM final concentration in the cell plate. Vehicle control (neat DMSO), and positive control (an established Nav1.8 inhibitor, 25 &#956;M final in assay in DMSO) were added manually to the outermost columns of each plate respectively. The compound plate was backfilled with 45 &#956;L per well of Compound Loading Buffer resulting in a 250 fold dilution of compound following a 1:1 transfer of compound into the cell plate (see Step 6). Final DMSO concentration for all wells in the assay was 0.625% (0.75% DMSO was supplemented to the Compound Loading Buffer for a final DMSO concentration of 0.625%). This assay dilution protocol was adjusted to enable a higher dose range to be tested in the presence of HS or if the final assay volume was altered.2) Hexyl Dye Solution was prepared.3) Cell plates were prepared. On the day of the assay, the media was aspirated, and the cells were washed three times with 80 &#956;L of Bath-1 buffer, maintaining 25 &#956;L residual volume in each well.4) 25 &#956;L per well of Hexyl Dye Solution was dispensed into the cell plates. The cells were incubated for 20 minutes at room temperature or ambient conditions in darkness.5) 45 &#956;L per well of Compound Loading Buffer was dispensed into compound plates.6) The cell plates were washed three times with 80 &#956;L per well of Bath-1 Buffer, leaving 25 &#956;L of residual volume. Then 25 &#956;L per well from compound plate was transferred to each cell plate. The mixture was incubated for 30 minutes at room temperature/ambient conditions.7) The cell plate containing compound was read on E-VIPR using the current-controlled amplifier to deliver stimulation wave pulses using a symmetrical biphasic waveform. The user-programmed electrical stimulus protocols were 1.25-4 Amps and 4-6 millisecond pulse width (dependent on electrode composition) were delivered at 10 Hz for 10 seconds. A pre-stimulus recording was performed for each well for 0.5 seconds to obtain the un-stimulated intensities baseline. The stimulatory waveform was followed by 0.5 seconds of post-stimulation recording to examine the relaxation to the resting state. All E-VIPR responses were measured at 200 Hz acquisition rate.
11880	1	In Vitro Test of Activities of Jak1, Jak2, Jak3, Tyk2 Kinases	TYK2:Dilution of JAK2, JAK3 and TYK2: 20 mM 3-(N-morpholine)propanesulfonic acid (MOPS), 1 mM EDTA, 0.01% Brij-35.5% glycerol, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA; Dilution of JAK1: 20 mM TRIS, 0.2 mM EDTA, 0.1% &#946;-mercaptoethanol, 0.01% Brij-35.5% glycerol. All the compounds were prepared into 100% DMSO solution and the concentration reached final measured concentration of 50 times. The test compound was diluted by a 3-fold concentration gradient, and the final concentration was 9 concentrations from 10 &#956;M to 0.001 &#956;M. The content of DMSO in the detect reaction was 2%. The stock solution of this compound was added into wells as a first component, then the other components were added as the following detailed process. TYK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 M GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activities and concentration were customized as required). Mixture of Mg/ATP was added to start reaction, which was stopped by adding 0.5% phosphoric acid after 40 minutes incubation. Then 10 &#956;L of the reaction solution was dispersed on the P30 filter pad, washed with 0.425% phosphoric acid for three times and with methanol for one time within 4 minutes, dried, and scintillate counted.
11880	2	In Vitro Test of Activities of Jak1, Jak2, Jak3, Tyk2 Kinases	JAK1:Dilution of JAK2, JAK3 and TYK2: 20 mM 3-(N-morpholine)propanesulfonic acid (MOPS), 1 mM EDTA, 0.01% Brij-35.5% glycerol, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA; Dilution of JAK1: 20 mM TRIS, 0.2 mM EDTA, 0.1% &#946;-mercaptoethanol, 0.01% Brij-35.5% glycerol. All the compounds were prepared into 100% DMSO solution and the concentration reached final measured concentration of 50 times. The test compound was diluted by a 3-fold concentration gradient, and the final concentration was 9 concentrations from 10 &#956;M to 0.001 &#956;M. The content of DMSO in the detect reaction was 2%. The stock solution of this compound was added into wells as a first component, then the other components were added as the following detailed process.Enzyme Reaction of JAK1(h)JAK1(h) was incubated with 20 mM Tris/HC pH7.5, 0.2 mM EDTA, 500 &#956;M MGEEPLYWSFPAKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activities and concentration were customized as required). Mixture of Mg/ATP was added to start reaction, which was stopped by adding 0.5% phosphoric acid after 40 minutes incubation at room temperature. Then 10 &#956;L of the reaction was dispersed on the P30 filter pad, washed with 0.425% phosphoric acid for three times and with methanol for one time within 4 minutes, dried, and scintillate counted.
11880	3	In Vitro Test of Activities of Jak1, Jak2, Jak3, Tyk2 Kinases	JAK2:Dilution of JAK2, JAK3 and TYK2: 20 mM 3-(N-morpholine)propanesulfonic acid (MOPS), 1 mM EDTA, 0.01% Brij-35.5% glycerol, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA; Dilution of JAK1: 20 mM TRIS, 0.2 mM EDTA, 0.1% &#946;-mercaptoethanol, 0.01% Brij-35.5% glycerol. All the compounds were prepared into 100% DMSO solution and the concentration reached final measured concentration of 50 times. The test compound was diluted by a 3-fold concentration gradient, and the final concentration was 9 concentrations from 10 &#956;M to 0.001 &#956;M. The content of DMSO in the detect reaction was 2%. The stock solution of this compound was added into wells as a first component, then the other components were added as the following detailed process. JAK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 &#956;M KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [&#947;-33P]-ATP (activities and concentration were customized as required). Mixture of Mg/ATP was added to start reaction, which was stopped by adding 0.5% phosphoric acid after 40 minutes incubation. Then 10 &#956;L of the reaction solution was dispersed on the P30 filter pad, washed with 0.425% phosphoric acid for three times and with methanol for one time within 4 minutes, dried, and scintillate counted.
11880	4	In Vitro Test of Activities of Jak1, Jak2, Jak3, Tyk2 Kinases	JAK3:Dilution of JAK2, JAK3 and TYK2: 20 mM 3-(N-morpholine)propanesulfonic acid (MOPS), 1 mM EDTA, 0.01% Brij-35.5% glycerol, 0.1% &#946;-mercaptoethanol, 1 mg/mL BSA; Dilution of JAK1: 20 mM TRIS, 0.2 mM EDTA, 0.1% &#946;-mercaptoethanol, 0.01% Brij-35.5% glycerol. All the compounds were prepared into 100% DMSO solution and the concentration reached final measured concentration of 50 times. The test compound was diluted by a 3-fold concentration gradient, and the final concentration was 9 concentrations from 10 &#956;M to 0.001 &#956;M. The content of DMSO in the detect reaction was 2%. The stock solution of this compound was added into wells as a first component, then the other components were added as the following detailed process. JAK3(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 &#956;M GGEEEEYFELVKKKK, 10 mM magnesium acetate and [&#947;-33P]-ATP (activities and concentration were customized as required). Mixture of Mg/ATP was added to start reaction, which was stopped by adding 0.5% phosphoric acid after 40 minutes incubation. Then 10 &#956;L of the reaction solution was dispersed on the P30 filter pad, washed with 0.425% phosphoric acid for three times and with methanol for one time within 4 minutes, dried, and scintillate counted.
11881	1	Menin-MLL Competition Assay	For IC50 determination test compounds were prepared as 10 mM DMSO stock solutions. Considering DMSO as the vehicle in the assay system. Lower sub-stocks of 50 &#956;M were prepared from the 10 mM stock solution. To test the compounds in assay, 3.16-fold serial dilutions are made in 100% DMSO. Mid-stock of 50× compounds (50 &#956;M) were serially diluted (3.16 fold) in 100% DMSO in Polypropylene plate. In assay plate 1 micro-litre of the previously prepared compound dilution was stamped. H-FL-Menin diluted to 4 nM in assay buffer (50 mM Tris-HCl, pH 7.4, 50 mM NaCl, freshly prepared 1 mM DTT, 0.01% BSA, 0.005% Triton X-100) was pre-incubated with 8 nM anti-His6-Tb for 30 min at room temperature. FITC-MLL-4-43 was diluted to 2 nM in assay buffer and 25 &#956;L was dispensed into each well of the assay plate followed by addition of 25 &#956;l of pre-incubated H-FL-Menin and anti-His6-Tb mixture. Final concentration H-FL-Menin diluted to 1 nM in assay plate with 2 nM anti-His6-Tb and 1 nM FITC-MLL-4-43. After 1 hr incubation at room temperature, the HTRF signal was measured on the Spark multi-label plate reader. Resulting data were captured as a ratio of RFU520/RFU485×1000. The max values were obtained from 0% inhibition in presence of 2% DMSO and the min. values were 100% inhibition in presence of 1 &#956;M reference compound.
11881	2	Determination of Binding Constants to Menin-MLL	Table 4: For Ki determination, individual compounds were prepared as 10 mM DMSO stock solutions. Considering DMSO as the vehicle in the assay system. Lower sub-stocks of 16 &#956;M were prepared from the 10 mM stock solution. To test the compounds in assay, 3.16-fold serial dilutions are made in 100% DMSO. Mid-stock of 50× compounds (16 &#956;M) were serially diluted (3.16 fold) in 100% DMSO in Polypropylene plate. In assay plate 1 micro-litre of the previously prepared compound dilution was stamped. H-FL-Menin diluted to 1 nM in assay buffer (50 mM Tris-HCl, pH 7.4, 50 mM NaCL, freshly prepared 1 mM DTT, 0.01% BSA, 0.005% Triton X-100) and pre-incubated with 2 nM anti-His6-Tb for 30 min at room temperature and then 25 &#956;l was dispensed into each well. FITC-MLL-4-43 was diluted to 6.4 nM in assay buffer and 25 &#956;L was dispensed into each well of the assay plate followed by addition of 25 &#956;l of pre-incubated H-FL-Menin and anti-His6-Tb mixture. Final concentration H-FL-Menin diluted to 0.25 nM in assay plate with 0.5 nM anti-His6-Tb and 3.2 nM FITC-MLL-4-43. After 24 hr incubation at room temperature, the HTRF signal was measured on the Spark multi-label plate reader. Resulting data were captured as a ratio of RFU520/RFU485×1000. The max values were obtained from 0% inhibition in presence of 2% DMSO and the min. values were 100% inhibition in presence of 320 nM reference compound.
11882	1	CDK2/Cyclin E1 HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays are conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) is incubated with compounds (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions are stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals are read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data is analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound. 
11883	1	Determination of the Inhibitory Activity of the Compounds on Human P2X3 and P2X2/3 Receptors	Cells were seeded into a poly-D-lysine-coated 384-well cell culture plate (Corning) at a density of 11,000 cells/well/25 &#956;L of cell inoculation medium, and were cultured in a cell incubator overnight. On the day of the test, the calcium 6 dye was diluted to a 2× concentration with a assay buffer, 25 &#956;L of the 2× calcium 6 dye was added to the 384-well cell culture plate, which was incubated at 37° C. for 2 hours, and then placed at room temperature for further use. The test compound and the agonist, &#945;,&#946;-MeATP were diluted to a 7× concentration with the assay buffer, 10 &#956;L of the 7× test compound was added to the 384-well cell culture plate, which was incubated at room temperature for 15 minutes, and 10 &#956;L of the 7× &#945;,&#946;-MeATP was transferred into the 384-well cell culture plate. The data were measured and analyzed using FLIPR Tetra, and the half inhibitory concentration (IC50) of the test compound on P2X3 and P2X2/3 receptors was calculated with the GraphPad Prism four-parameter equation.
11884	1	Measurement of A2A or A2B Binding Affinity Using SPA	Method (B): Binding affinity using SPA was conducted as follows. Test compounds (50 nL) were dispensed into individual wells of a 384-well OptiPlate&#153; well (Perkin Elmer) by Echo acoustic liquid transfer (Labcyte). 20 &#956;L of 1.25 nM [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) in DPBS assay buffer (Dulbecco&#39;s phosphate buffered saline without calcium and magnesium, ThermoFisher Scientific, Cat. No. A1285601) supplemented with 10 mM MgCl2 was added. A2A or A2B receptor-expressing membranes were incubated with 20 &#956;g/mL adenosine deaminase (Roche, Cat. No. 10 102 105 001) for 15 min at room temperature. The receptor-expressing membranes were then combined with wheat germ agglutinin-coated yttrium silicate SPA beads (GE Healthcare, Cat. No. RPNQ0023) in a ratio of 1:1000 (w/w) and incubated for 30 min at room temperature. 30 &#956;L of the membrane/bead mixture (0.25 &#956;g and 25 &#956;g per well respectively) were added to the 384-well OptiPlate&#153; well. To define total and non-specific binding, wells containing 1% DMSO or 1 &#956;M CGS15943 (Tocris Bioscience, Cat. No. 1699) respectively were also included in the experiment. The plate was incubated for 1 h at room temperature with agitation. The assay plate was then incubated for an h to allow the beads to settle before data were collected using a TopCount (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
11884	2	Measurement of A2A or A2B Binding Affinity Using Radioligand Binding	Method (A): 148 &#956;L (5 &#956;g/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM400UA) and 2 &#956;L compounds of the invention to be tested (test compound) were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 min at room temperature. [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) was diluted in assay buffer (50 mM Tris pH 7.4, 10 mM MgCl2, 0.005% Tween20) to a concentration of 4 nM and 50 &#956;L transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 1 &#956;M ZM241385 (Tocris Bioscience, Cat. No. 1036) respectively, were also included. The assay plate was incubated at room temperature for 60 min with agitation. Using a FilterMate Harvester (Perkin Elmer), the contents of the assay plate were filtered through a UniFilter-96 PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 sec, then washing and aspirating the contents three times with ice-cooled wash buffer (50 mM Tris-HCl pH 7.4, 150 mM NaCl) and allowing the vacuum manifold to dry the plate for 30 sec. The filter plate was incubated for at least 1 h at 55° C. and allowed to dry. The bottom of the filter plate was sealed with backing tape. 40 &#956;L Ultima Gold&#153; (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS clear plate seal (Perkin Elmer, Cat. No. 6050185). The plate was incubated for at least 20 min, and then the amount of radioactivity remaining in each well was determined using a TopCount (Perkin Elmer) scintillation counter. After normalization to total and non-specific binding, the percent effect at each compound concentration was calculated. The plot of percent effect versus the log of compound concentration was analyzed electronically using a 4-parameter logistic fit based on the Levenberg-Marquardt algorithm to generate IC50 values.
11885	1	Biochemical Assay	Biochemical IC50 values for the following compounds were determined in accordance with the following protocol (see also Anumala et al., Discovery of Novel Series of Tankyrase Inhibitors by a Hybridization Approach J. Med. Chem. 2017). IC50 calculations:XLfit (idbs) was used to determine the IC50-values in inhibition experiments. The following formula was chosen to fit the data points (Langmuir Binding Isotherm):fit=((A+(B*x))+4(C&#8722;B)*(1&#8722;exp((&#8722;1*D)*x)))/D)), res=(y&#8722;fit)
11886	1	PI3K-gamma Scintillation Proximity Assay	PI3K&#947; (p110&#947;) Recombinant Human Protein was purchased from Life technology (Grand Island, NY). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma Aldrich (St. Louis, MO).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#947; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 &#956;Ci [&#947;-33P] ATP, 13 nM PI3K&#947;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (Perkin-Elmer).
11886	2	PI3K-delta Scintillation Proximity Assay	PI3K&#948; (p110&#948;/p85&#945;) Recombinant Human Protein was purchased from Eurofins (St Charles, MO). ATP, MgCl2, DTT, EDTA, MOPS and CHAPS were purchased from Sigma Aldrich (St. Louis, MO).The kinase reaction was conducted in polystyrene 384-well Greiner Bio-one white plate from Thermo Fisher Scientific in a final volume of 25 &#956;L. Inhibitors were first diluted serially in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 2%. The PI3K&#948; assay was carried out at room temperature in 20 mM MOPS, pH 6.7, 10 mM MgCl2, 5 mM DTT and CHAPS 0.03%. Reactions were initiated by the addition of ATP, the final reaction mixture consisted of 20 &#956;M PIP2, 2 &#956;M ATP, 0.5 Ci [&#947;-33P] ATP, 3.4 nM PI3K&#948;. Reactions were incubated for 120 min and terminated by the addition of 40 &#956;L SPA beads suspended in quench buffer: 163 mM potassium phosphate pH 7.8, 20% glycerol, 25 mM EDTA. The final concentration of SPA beads is 1.0 mg/mL. After the plate sealing, plates were shaken overnight at room temperature and centrifuged at 1500 rpm for 10 min, the radioactivity of the product was determined by scintillation counting on Topcount (PerkinElmer). 
11887	1	DGK&#945; Biochemical Activity Assay	Ten nanoliters of test compound dissolved in DMSO at various concentrations were dispensed into a 384-well low volume nonbinding service white plates (Corning #3824) using a Labcyte Echo instrument. Recombinant DGK&#945; (Carna Biosciences) in assay buffer (5 &#956;L in 50 mM MOPS [3-(N-morpholino) propanesulfonic acid], pH 7.2; 0.0025% Triton X-100; 1 mM dithiothreitol; 5 mM MgCl2, 200 &#956;M ATP) was added to the compound-containing plate and was incubated for 15 minutes at 25° C. A substrate solution (5 &#956;L in 1.7 mM 1,2-dioleoyl-sn-glycerol [18:1 DAG], 13.5 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine [16:0-18:1 PS](POPS), 2 &#956;M CaCl2, 100 mM Octylglucoside (OG), 1 mM DTT) (obtained from Carna Biosciences) diluted in DGK ALPHA assay buffer was then added to start the reaction. Final concentrations were 1 nM DGK&#945;, 100 &#956;M ATP, 1 &#956;M calcium chloride, 0.85 mM 1,2-dioleoyl-sn-glycerol (18:1 DAG), 6.75 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (16:0-18:1 PS) (POPS), 1 &#956;M CaCl2), 50 mM Octylglucoside (OG) and 5 mM MgCl2. The reaction mixture was incubated at 25° C. for 1 hour. ADP-Glo Reagent (10 &#956;L, 10 mM Mg added) provided by the kit was added to each well and incubated at 25° C. for 40 minutes. Then, 20 &#956;L of Kinase Detection Reagent was added and incubated at 25° C. for 40 minutes. Luciferase activity of each well was measured via luminescence on an Envision plate reader (PerkinElmer).
11888	1	Biochemical Assay 1	The expression and purification of N-terminal GST-tagged human K-RasG120 and N-terminal His-tagged human SOS1 is described below. Concentrations of protein batches used were optimized to be within the linear range of the HTRF signal. A Ras working solution was prepared in assay buffer containing typically 10 nM GST-hK-RasG12C and 2 nM antiGST-Eu(K) (Cisbio, France). A SOS working solution was prepared in assay buffer containing typically 20 nM His-hSOS1 and 10 nM anti-6His-XL665 (Cisbio, France). An inhibitor control solution was prepared in assay buffer containing 10 nM anti-6His-XL665 without hSOS1.Fifty nl of a 100-fold concentrated solution of the test compound in DMSO were transferred into a black microtiter test plate (384 or 1536, Greiner Bio-One, Germany). For this, either a Hummingbird liquid handler (Digilab, MA, USA) or an Echo acoustic system (Labcyte, CA, USA) was used.All steps of the assay were performed at 20° C. A volume of 2.5 &#956;l of the Ras working solution was added to all wells of the test plate using a Multidrop dispenser (Thermo Labsystems). After 2 min preincubation, 2.5 &#956;l of the SOS working solution were added to all wells except for those wells at the side of the test plate that were subsequently filled with 2.5 &#956;l of the inhibitor control solution. After 60 min incubation the fluorescence was measured with a Pherastar (BMG, Germany) using the HTRF module (excitation 337 nm, emission 1: 620 nm, emission 2: 665 nm).
11888	2	Biochemical Assay 2	Preparation of GST-tagged hK-RasGl2C loaded with fluorescent nucleotide was performed as follows: incubation of 11.5 &#956;M hK-RasGl2C with 5-fold excess GDP-Dy647 nucleotide (54 &#956;M) in 500 &#956;l NLS-buffer (RAS activation Kit Jena Bioscience, Kat. #PR-950) for 10 min at 37° C. Addition of 20 &#956;l 1 M MgCl2 (Sigma) to final 40 mM and store on ice. Purification into buffer (10 mM HEPES pH 7.4 (Applichem), 150 mM NaCl (Sigma), 5 mM MgCl2 (Sigma)) by use of a PD-Minitrap desalting column (GE Healthcare). Concentration of 1 ml purified hK-Ras-GDP-Dy647 is approx. 4-5 &#956;M.The assay buffer contained 10 mM HEPES pH 7.4 (Applichem), 150 mM NaCl (Sigma), 5 mM MgCl2 (Sigma), 1 mM DTT (Thermofisher), 0.05% BSA Fraction V, pH 7.0, (ICN Biomedicals), 0.0025% (v/v) Igepal (Sigma).
11888	3	Biochemical Assay 3	This assay quantifies human SOS1-mediated loading of human K-RasG12C-GDP with a fluorescent GTP-analog. Detection of successful loading is achieved by measuring homogenous time-resolved fluorescence resonance energy transfer (HTRF) from antiGST-Terbium (FRET donor) bound to GST-K-RasG12C to the loaded fluorescent GTP analog (FRET-acceptor).The fluorescent GTP-analog EDA-GTP-Dy647P1 (2&#8242;/3&#8242;-O-(2-Aminoethyl-carbamoyl)-guanosine-5&#8242;-triphosphate labelled with Dy647P1 (Dyomics GmbH, Germany)) was synthesized by Jena Biosciences GmbH (Germany) and supplied as a 1 mM aqueous solution. The assay buffer contained 10 mM HEPES pH 7.4 (Applichem), 150 mM NaCl (Sigma), 5 mM MgCl2 (Sigma), 1 mM DTT (Thermofisher), 0.05% BSA Fraction V, pH 7.0, (ICN Biomedicals), 0.0025% (v/v) Igepal (Sigma).
11888	4	EGFR Kinase Assay	For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;L of a solution of EGFR in aqueous assay buffer [50 mM Hepes/HCl pH 7.0, 1 mM MgCl2, 5 mM MnCl2, 0.5 mM activated sodium ortho-vanadate, 0.005% (v/v) Tween-20]were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine-tri-phosphate (ATP, 16.7 &#956;M=>final conc. in the 5 &#956;L assay volume is 10 &#956;M) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 20 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration were about 3 U/ml. The reaction was stopped by the addition of 5 &#956;l of a solution of HTRF detection reagents (0.1 &#956;M streptavidine-XL665 [Cis Biointernational] and 1 nM PT66-Tb-Cryptate, an terbium-cryptate labelled anti-phospho-tyrosine antibody from Cis Biointernational [instead of the PT66-Tb-cryptate PT66-Eu-Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (80 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Eu-Chelate. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the PT66-Tb-Cryptate to the streptavidine-XL665.
11889	1	5-HT2A Receptor Binding Inhibition Assay	Binding Test of the Compound According to the Present Invention: In advance, 0.5 &#956;L of the compound solution dissolved in DMSO was dispensed into a microplate, and the cell membrane and the hot ligand were diluted with Assay buffer, respectively. Then, the Assay buffer containing the diluted cell membrane was dispensed into a microplate at 50 &#956;L/well. Then, the radioactive ligand solution was dispensed into a microplate at 50 &#956;L/well, and the plate was sealed. Then, it was allowed to stand at room temperature (25° C.) for 1.5 hours. During this period, 50 mmol/L Tris-HCl (pH 7.4) was dispensed into a GF/B UniFilter plate at 50 &#956;L/well and allowed to stand at 4° C. for 1 hour or longer. After that, filtration was performed with Cell harvester (PerkinElmer). After the GF/B UniFilter plate was dried at room temperature, MicroScinti 20 was dispensed into the GF/B UniFilter plate at 50 &#956;L/well, and the plate was sealed. The GF/B UniFilter plate was allowed to stand overnight at room temperature. The radioactivity of [3H]-Ketanserin bound to the 5-HT2A receptor was measured using Microbeta2 (PerkinElmer) at a measurement time of 1 min/well. The non-specific binding was calculated from the radioactivity of [3H]-Ketanserin in the presence of 500 &#956;mol/L Serotonin HCl with the unlabeled ligand, and the total binding was calculated from the radioactivity of [3H]-Ketanserin in the absence of the compound according to the present invention (Vehicle). Finally, the Ki value was calculated from the dose-response curve.
11889	2	5-HT2C Receptor Binding Inhibition Assay	Binding Test of the Compound According to the Present Invention:In advance, 0.5 &#956;L of the compound solution dissolved in DMSO was dispensed into a microplate, and the cell membrane and the hot ligand were diluted with Assay buffer, respectively. Then, the Assay buffer containing the diluted cell membrane was dispensed into a microplate at 50 &#956;L/well. Then, the radioactive ligand solution was dispensed into a microplate at 50 &#956;L/well, and the plate was sealed. Then, it was allowed to stand at 37° C. for 2 hours. During this period, 50 mmol/L Tris-HCl (pH 7.4) was dispensed into a GF/B UniFilter plate at 50 &#956;L/well and allowed to stand at 4° C. for 1 hour or longer. After that, filtration was performed with Cell harvester (PerkinElmer). After the GF/B UniFilter plate was dried at room temperature, MicroScinti 20 was dispensed into the GF/B UniFilter plate at 50 &#956;L/well, and the plate was sealed. The GF/B UniFilter plate was allowed to stand overnight at room temperature. The radioactivity of [3H]-Mesulergine bound to the 5-HT2A receptor was measured using Microbeta2 (PerkinElmer) at a measurement time of 1 min/well. The non-specific binding was calculated from the radioactivity of [3H]-Mesulergine in the presence of 500 &#956;mol/L Serotonin HCl with the unlabeled ligand, and the total binding was calculated from the radioactivity of [3H]-Mesulergine in the absence of the compound according to the present invention (Vehicle).
11890	1	Enzyme Activity Inhibition Assay	A certain mass of the compound was weighed precisely, and prepared with DMSO and reaction buffer (50 mM Tris base, 50 mM KCl, 1.6 mM cysteamine, 0.005% Brij 35, pH 8.0, prepared when using) to a maximum concentration of 10000 nM, then diluted in a 4-fold gradient, and prepared into 10 compound working solutions with different concentrations;for the activity inhibition reaction of recombinant human Vanin-1 (Biorab, JN0618), 2.5 &#956;L of compound working solution and 5 &#956;L of recombinant human Vanin-1 protein were first mixed. The mixture was incubated at room temperature for 15 minutes, then added with 2.5 &#956;L of Pantetheine 7-amino-4-trifluoromethylcoumarin substrate, such that the final concentration of recombinant human Vanin-1 was 62.5 &#956;M and the final concentration of Pantetheine 7-amino-4-trifluoromethylcoumarin substrate was 45 &#956;M in the 10 &#956;L reaction system. The reaction was carried out in a 384-well plate (PerkinElmer, 6007280) with DMSO at a final concentration of 1%. The excitation light was set at 405 nm and the emission light was set at 505 nm on the microplate reader, and kinetic reading was performed at 25° C. for 1 hour.
11891	1	Biological Assay	The following solutions were prepared for each 1×384 plate:Solution A: 2 mL Optimem with one of the following stimuli:60 &#956;L of 10 mM 2&#8242;3&#8242;cGAMP&#8594;150 &#956;M stockSolution B: 2 mL Optimem with 60 &#956;L Lipofectamine 2000&#8594;Incubate 5 min at RT2 mL of solution A and 2 ml Solution B was mixed and incubated for 20 min at room temperature (RT). 20 &#956;L of transfection solution (A+B) was added on top of the plated cells, with a final 2&#8242;3&#8242;cGAMP concentration of 15 &#956;M. The plates were then centrifuged immediately at 340 g for 1 minute, after which they were incubated at 37° C., 5% CO2, >98% humidity for 24 h. Luciferase reporter activity was then measured. EC50 values were calculated by using standard methods known in the art.
11892	1	Enzymatic Assay	The main protease (Mpro) enzymatic assays were carried out exact as previously described in pH 6.5 reaction buffer containing 20 mM HEPES pH 6.5, 120 mM NaCl, 0.4 mM EDTA, 20% glycerol and 4 mM DTT.3. The SARS-CoV-2 papain-like protease (PLpro) enzymatic assays were carried out as follows: the assay was assembled in 96-well plates with 100 &#956;l of 200 nM PLPro protein in PLPro reaction buffer (50 mM HEPES, pH7.5, 0.01% triton-100 and 5 mM DTT). Then 1 &#956;l testing compound at various concentrations was added to each well and incubated at 30° C. for 30 min. The enzymatic reaction was initiated by adding 1 &#956;l of 1 mM FRET substrate (the final substrate concentration is 10 &#956;M). The reaction was monitored in a Cytation 5 image reader with filters for excitation at 360/40 nm and emission at 460/40 nm at 30° C. for 1 hr. The initial velocity of the enzymatic reaction with and without testing compounds was calculated by linear regression for the first 15 min of the kinetic progress curve. 
11893	1	In Vitro Inhibitory Assay	1) Preparation of test compound plate: The test compounds and positive control AZD7986 were dissolved in 100% DMSO to obtain compound stock solutions with a final concentration of 10 mM. The compound was diluted with DMSO to a 384-well echo plate at a concentration of 100× of the highest concentration at the beginning of the experiment. 0.2 &#956;L of the diluted compound was pipetted to a black-bottomed 384-well reaction plate for later use. The negative control well was DMSO.2) Activation of rhCatC: RhCatC and rhCatL were added to the activation buffer to obtain a final concentration of rhCatC of 100 &#956;g/mL and a final concentration of rhCatL of 20 &#956;g/mL, and incubated at room temperature for 1 hour.3) Enzyme activity reaction: Activated rhCatC was diluted to 0.4 &#956;g/mL with the reaction buffer. The solution was added to the black-bottom 384-well reaction plate (10 L per well). 10 &#956;L of the buffer was added for the vehicle control group. The plate containing compounds in its wells was incubated at room temperature for 30 minutes. H-Gly-Arg-AMC was diluted to 97 &#956;M with reaction buffer, and 10 &#956;L of the solution was added to each well.4) Fluorescence detection: The plate was read with Envision, and the fluorescence intensity was measured at Ex 355 nM and Em 460 nM.5) Calculation of inhibition rate and IC50: Inhibition rate: formula (1): inhibition rate %=(maximum value&#8722;signal value)/(maximum value&#8722;minimum value)×100.
11894	1	Homogeneous Time-Resolved Fluorescence (HTRF) Binding Assay	The following assay and stock buffers were prepared for use in the assay: (a) Stock buffer: 10 mM Tris-HCl, pH=7.5+150 mM NaCl, filtered, sterilized, and stored at 4° C.; and (b) 1× assay buffer, where the following ingredients were added fresh to stock buffer: 2 mM dithiothreitol (DTT), 0.0025% Tween-20, 0.1 mg/mL bovine serum albumin (BSA). The 1× Tb-Mcl-1+Cy5 Bim peptide solution was prepared by diluting the protein stock solution using the 1× assay buffer (b) to 25 pM Tb-Mcl-1 and 8 nM Cy5 Bim peptide. Using the Acoustic ECHO, 100 nL of 100× test compound(s) were dispensed into individual wells of a white 384-well Perkin Elmer Proxiplate, for a final compound concentration of 1× and final DMSO concentration of 1%. Inhibitor control and neutral control (NC, 100 nL of 100% DMSO) were stamped into columns 23 and 24 of assay plate. Into each well of the plate was then dispensed 10 &#956;L of the 1× Tb-Mcl-1+Cy5 Bim peptide solution. The plate was centrifuged with a cover plate at 1000 rpm for 1 minute, then incubated for 60 minutes at room temperature with plates covered. The TR-FRET signal was read on an BMG PHERAStar FSX MicroPlate Reader at room temperature using the HTRF optic module (HTRF: excitation: 337 nm, light source: laser, emission A: 665 nm, emission B: 620 nm, integration start: 60 &#956;s, integration time: 400 is).
11895	1	Biological Assay	Pharmacological assessment of the compounds of the invention was performed using HEK293-Nav1.8 in combination with an assay developed on the QPatch 48 HTX electrophysiological system. HEK293-Nav1.8 were prepared on the day of use by removing culture media, washing in DPBS, adding Accutase (2 ml to cover the surface, aspirate 1 ml then 1.5 min at 37° C.) followed by addition of CHO-SFM II to stop the enzyme digestion and in order to obtain a suspension of 3×106 cell/mL. Compound was prepared in an extracellular solution of the following composition: NaCl (145 mM), KCl (4 mM), CaCl2 (2 mM), MgCl2 (2 mM), HEPES (1 mM), Glucose (10 mM), pH 7.4 with NaOH Osmolality 300 mOsM/L. The intracellular solution was used of the following composition: CsF (115 mM), CsCl (20 mM), NaCl (5 mM), EGTA (10 mM), HEPES (10 mM), Sucrose (20 mM), pH 7.2 with CsOH Osmolality 310 mOsm/L. Utilizing the voltage-clamp mode in the QPatch 48 HTX system a half inactivation state voltage protocol (V1/2) was used to determine pharmacological activity of compounds of the invention at Nav1.8 ion channels. A V1/2 protocol was utilized with the following voltage steps: a holding voltage of &#8722;100 mV was established followed by a 20 ms voltage step to 0 mV (P1), followed by an inactivating voltage step at &#8722;46 mV for 8 seconds, followed by a step to &#8722;100 mV for 20 ms, before a 20 ms step to 0 mV (P2) before returning to the holding voltage of &#8722;100 mV. This voltage protocol was repeated at a frequency of 0.07 Hz., current magnitude was quantified at the P2 step throughout the recording.
11896	1	Biochemical Assay for Modulation (Inhibition/Activation) of GCN2	GCN2 protein was obtained from Carna Biosciences (cat #05-153). The protein was diluted in assay buffer (ThermoFisher Scientific, #PV6135), 2 mM dithiothreitol (DTT), to obtain a final concentration of 2 nM and 5 &#956;L was plated in a 384-well white assay plate. Test compounds were serially diluted to 11 concentrations by 3-fold dilution in DMSO and 10 nL of stock was plated into 384 well white assay plate. DMSO was used as a vehicle control. GFP-eIF2a protein was obtained from ThermoFisher (cat #PV4809). The protein was diluted in assay buffer to a 2× concentration of 200 nM along with 300 &#956;M ATP (final concentration of 100 nM GFP-eIF2a and 150 &#956;M ATP) in the presence of 2 mM DTT and a 5 &#956;L aliquot was added to each well containing the GCN2 protein and test compound. The plate was incubated in the dark at 25° C. for 1.5 hours, shaking at 1250 rpm. Tb-anti P-eIF2a (ThermoFisher cat #PV4815) was diluted to a to a concentration of 1 nM in TR-FRET Dilution Buffer (ThermoFisher cat #PV3574). 10 &#956;L of the Tb-anti P-eIF2a solution was added to the TR-FRET reaction. The plate was incubated in the dark for 2 h at 25° C. shaking at 600 rpm.
11897	1	In Vitro BTK Kinase Assay: Btk-PolyGAT-LS Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 &#956;L aliquot of a ATP/peptide master mix (final concentration; ATP 10 &#956;M, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 &#956;M Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, I pL of a 4-fold, 40X compound titration in 100% DMSO solvent is added, followed by adding 15 uL of BTK enzyme mix in 1X kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 &#956;L of a 50 mM EDTA solution. Aliquots (5 uL) of the kinase reaction are transferred to a low volume white 384 well plate (Coming 3674), and 5 &#956;L of a 2X detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
11898	1	Adenosine Receptor Time-Resolved Fluorescence Resonance Energy Transfer (TRFRET) Binding Assay	All FRET binding experiments were conducted at room temperature in white 384-well plates, in assay binding buffer containing 1× LabMed (Cisbio, France), 100 &#956;g/mL saponin, 1% DMSO and 0.02% pluronic acid. Binding of the fluorescently labelled Adenosine receptor antagonist XAC (CA200645, FRET acceptor) to terbium-labelled A1, A2a, A2b and A3 adenosine receptors (FRET donors) was detected by time-resolved FRET due to the close proximity of the donor and acceptor in a binding event. To investigate the ability of unlabelled test compounds to bind to Adenosine A1, A2a, A2b and A3 receptors, dose response curves were constructed that determined the ability of a range of concentrations to inhibit the binding of 30 nM CA200645 to the A2b receptor and 100 nM CA200645 to the A1, A2a, and A3 receptor. Serial dilution (1:3 dilutions) of test compounds in neat DMSO and transfer of a 400 nL sample of test compound into the assay plate was carried out using the Mosquito (TTP Labtech, UK). The compound samples were incubated for 2 hours at room temperature with a fixed concentration of CA200645 defined for each receptor (see above) and CHO cell membranes containing the human Adenosine A1 (0.5 &#956;g/well), A2a (0.3 &#956;g/well), A2b (1 &#956;g/well) or A3 (1 &#956;g/well) receptor in 40 &#956;L of assay buffer. Total and non-specific binding of CA200645 was determined in the absence and presence of 10 &#956;M XAC, respectively. Following 2 hours incubation, the level of CA200645 binding was detected on a Pherastar FSX (BMG Labtech, Germany) using standard TR-FRET settings. 
11899	1	PARG Activity Assay	PARG Activity Assay was performed in Streptavidin-coated 96-well plates. Terminal-biotinylated poly (ADP-ribose) polymer was diluted to a final concentration of 25 nM with 0.2% bovine serum albumin (BSA) containing phosphate-buffered saline solution (PBS) and used for the substrate solution. The substrate solution was added to the 96-well plate at the volume of 200 micro liter per well and incubated for 3 hours at room temperature. After the incubation, the substrate solution was discarded and assay plate was washed 4 times with 220 micro liter of PBS containing 0.1% Tween20 (PBST). Recombinant human PARG protein was diluted with 0.2% BSA containing PBS to a final concentration of 0.0185 nM. The diluted enzyme solution was pre-incubated with compounds for 1 hour at room temperature in a 96-well plate and transferred 100 micro liter per well to the poly (ADP-ribose) substrate-coated assay plate. The plate was incubated for 1 hour at 25° C. and then washed 4 times with 220 micro liters of PBST. For the detection of non-digested poly (ADP-ribose) polymer on the plate, mouse anti-poly (ADP-ribose) antibody diluted with 0.2% BSA containing PBS was added 100 micro liters per well and incubated 1 hour at room temperature. Plate was washed 4 times with TBST and 100 micro liter of HRP-labeled anti-mouse Ig antibody was added to the wells. Plate was incubated for 30 minutes at room temperature and then washed 4 times with PBST. For the detection 100 micro liters of TMB substrate solution was added to the wells. After sufficient color development, reaction was stopped by addition of 50 micro liter of 0.2 M Sulfonic acid. 
11900	1	In Vitro Enzymatic Activity Assay	1. Preparation of 1-Fold Kinase Buffer1) 1-fold kinase buffer40 mM Tris, pH 7.50.0055% Brij-3520 mM MgCl2 0.05 mM DTT2. Compound Preparation1) The detection starting concentration of the compound was 1 &#956;M, and it was prepared to a 100-fold concentration, namely 100 &#956;M. 2 &#956;l of 10 compound was taken, 198 &#956;l of 100% DMSO was added, and it was prepared into 100 &#956;M compound solution. 100 &#956;l of the compound of 100-fold concentration was added to a second well on a 96-well plate, and 60 &#956;l of 100% DMSO was added to other wells. 30 &#956;l of the compound was taken from the second well and added to a third well, it was diluted downwards sequentially by 3 times, and there was a total of 10 concentrations diluted.2) 100 &#956;l of 100% DMSO and positive control wortmannin with the highest concentration (400 nM) were transferred to two empty wells as a Max well and a Min well respectively.3) 50 nl of the compound was transferred to a 384-well plate by Echo.3. Preparation of 2× Kinase Solution1) The 1-fold kinase buffer was used to prepare 2-fold DNA-PK kinase solution.2) 2.5 &#956;l of the 2-fold kinase solution was transferred to a reaction well of the 384-well plate.3) It was shaken, mixed uniformly, and still placed at a room temperature.4. Preparation of 2× Substrate Solution1) The 1-fold kinase buffer was used to prepare 2-fold substrate solution.2) 2.5 &#956;l of the 2-fold substrate solution was transferred to the reaction well of the 384-well plate for a starting reaction.3) It was shaken, and mixed uniformly.5. Kinase Reaction and Termination1) The 384-well plate was covered by a cover, and incubated at 28° C for 3 hours.2) 5 &#956;l of ADP-Glo reagent was transferred, and incubated at 28° C. for 2 hours.6. Detection of Reaction Result1) 10 &#956;l of a kinase detection reagent was transferred into the reaction well of the 384-well plate for terminating the reaction.2) It was still placed at the room temperature for 30 minutes.7. Data ReadingSample values were read on Envision.8. Inhibition Rate Calculation1) Data was copied from Envision.2) It was converted into inhibition rate data.Inhibition percentage=(max-conversion)/(max-min)*100. Wherein, max refers to the conversion rate of a DMSO control, min refers to the conversion rate of a control without enzyme activity, and conversion refers to the conversion rate of the test compound at each concentration.
11901	1	In vitro PDE4B Enzyme Activity Detection Assay	1. Experimental MaterialsName Brand Cat No.PDE4B1 enzyme BPS 60041Trequinsin TOCRIS 2337/10IMAP FP IPP Explorer Kit Molecular Device R8124FAM-cAMP Molecular Device R7506OptiPlate&#8201; -384 F PerkinElmer 6007279black assay plate 384 well Echo plate Labcyte PP-02002. Experimental StepsFirst, a stock solution of the compound at a concentration of 10 mM was prepared in a test tube with 90% DMSO (10% water), and it was used to prepare a series of dilutions with a dilution factor of 1:5 and final concentrations starting from 100 &#956;M to as low as 0.05 nM. 0.2 &#956;l of the compound solution was transferred into a 384-well reaction plate, and 0.2 &#956;l of 100% DMSO was transferred into both the negative and positive controls. Then, 10 &#956;l of 2 PDE4B1 enzyme solution (making a final concentration of 0.04 nM) was added to each well, and 10 &#956;l of 1 reaction buffer instead of the enzyme solution was added to the zero enzyme activity control wells. The plate was centrifuged at 1,000 rpm for 1 min and incubated at room temperature for 15 min. Next, 10 &#956;l of 2 FAM-cAMP substrate solution (making a substrate final concentration of 0.1 &#956;M) was added to each well of the 384-well reaction plate. The plate was centrifuged at 1,000 rpm for 1 min and the reaction was carried out at 25 C. for 30 min. After completion of the reaction, 60 &#956;l of reaction stop solution was added to each well of the 384-well reaction plate to terminate the reaction, and the plate was incubated with shaking at 600 rpm on a shaker at room temperature in the dark for 60 min. After the incubation, the RLU data were read and the inhibition rate was calculated. The IC50 value was calculated from the concentration-inhibition fitted curve, wherein the maximum value refers to the reading of the DMSO control and the minimum value refers to the reading of the zero enzyme activity control.
11902	1	HIPK2 Enzymatic Activity Inhibition	The half maximal inhibitory concentration (IC50) with respect to HIPK2 inhibition was determined for the compounds of the invention by using Z&#8242;-LYTE from ThermoFisher Scientific&#39;s SelectScreen Biochemical Kinase Profiling Service (Waltham, MA). Compounds were screened in 1% DMSO (final) in the well. For 10 point titrations, 3-fold serial dilutions were conducted from the starting concentration. The 2 HIPK2/Ser/Thr 09 mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The black 384-well plate (Corning Cat. #4514) were used for the assay.100 nL of 100 test compound in 100% DMSO, 2.4 uL of kinase buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 5 uL of 2 HIPK2/Ser/Thr 09 mixture, and 2.5 uL of 4 ATP solution were mixed and agitated for 30 seconds. Then the Kinase Reaction was incubated at room temperature for 60 minutes. The final 10 uL Kinase Reaction consisted of 3.53-19 ng HIPK2 and 2 &#956;M Ser/Thr 09 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 uL of a 1:512 dilution of Development Reagent A is added. After 30 second of plate shake, the reaction plate was incubated for another 60 min at room temperature. Then the plate was read on a fluorescence plate reader (CLARIOstar, BMG Labtech, Germany) as plate reader and data was analyzed using XLfit from IDBS. The dose response curve was curve fit to model number 205 (sigmoidal dose-response model). If the bottom of the curve does not fit between &#8722;20% & 20% inhibition, it was set to 0% inhibition. If the top of the curve does not fit between 70% and 130% inhibition, it was set to 100% inhibition.
11902	2	CK2 Alpha 1 Enzymatic Activity Inhibition	The half maximal inhibitory concentration (IC50) with respect to CK2 alpha 1 inhibition was determined for the compounds of the invention by using Z&#8242;-LYTE from ThermoFisher Scientific&#39;s SelectScreen Biochemical Kinase Profiling Service (Waltham, MA). Compounds were screened in 1% DMSO (final) in the well. For 10 point titrations, 3-fold serial dilutions were conducted from the starting concentration. The 2 CSNK2A1 (CK2 alpha 1)/Ser/Thr 11 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The black 384-well plate (Corning Cat. #4514) were used for the assay. 100 nL of 100 test compound in 100% DMSO, 2.4 uL of kinase buffer (50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 5 uL of 2 CSNK2A1 (CK2 alpha 1)/Ser/Thr 11 mixture, and 2.5 uL of 4 ATP solution were mixed and agitated for 30 seconds. Then the Kinase Reaction was incubated at room temperature for 60 minutes. The final 10 uL Kinase Reaction consisted of 0.68-25.7 ng CSNK2A1 (CK2 alpha 1) and 2 &#956;M Ser/Thr 11 in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. After the 1 hour Kinase Reaction incubation, 5 uL of a 1:16 dilution of Development Reagent B is added. After 30 second of plate shake, the reaction plate was incubated for another 60 min at room temperature. 
11903	1	GO Biochemical Assay	GO biochemical enzymatic reaction was performed in black 384-well low binding plate in a total volume of 25 &#956;L. The reaction mixture contained 5 nM GO, 100 &#956;M glycolate, 0.1 U/mL HRP, 50 &#956;M Amplex Red, and 1:3 serial diluted test compounds in a buffer containing 50 mM Tris pH 7.8, 0.0025% Tween-20, and 0.02% BSA. Twenty five nanoliter of 1000× test compounds were pre-spotted onto 384-well low binding plate by Echo 555 Liquid Handler (Labcyte Inc., San Jose, CA) with starting final concentration of 10 &#956;M, followed by addition of 5 &#956;L/well of 25 nM GO (5× of 5 nM final concentration) and incubated for 15 min. Ten microliter of 2.5× of 0.1 U/mL final concentration HRP was added to each well, followed by addition of 10 &#956;L 2.5× 100 &#956;M final concentration of glycolate substrate and of 2.5× 50 &#956;M final concentration of Amplex Red. The reaction was mixed and incubated at room temperature for 20 min followed by reading the plates by EnVision plate reader (Perkin Elmer, San Jose, CA) with excitation at 570 nm and emission 585 nm. The wells with DMSO were used as negative controls (as 0% inhibition) whereas wells without GO enzymes were used as positive controls (as 100% inhibition). The % inhibition as calculated as 100%×(Well-Negative)/(Positive-Negative
11904	1	BRET-Assay	The MPC is a heterodimer composed of two subunits, MPC1 and MPC2. MPC1 and MPC2 interact to form an active carrier. In the assay, MPC2 was fused to Rluc8 (Donor) and MPC1 to Venus (Acceptor). These chimeric proteins were stably expressed in HEK cells. BRET activity was measured following addition of coelenterazine in the culture medium. Coelenterazine enters into cells and in contact with luciferase Rluc8 emits light, which activates the emission of fluorescence by the Acceptor, provided the distance between the Donor and Acceptor is <100 nm. If the distance between Donor and Acceptor is >100 nm, no BRET activity is measured. The level of BRET activity reflects a change in the conformation of the MPC: it is high when the carrier is in a closed conformation, low when the carrier is at rest and intermediary when it transports pyruvate. In this case, the BRET activity is the mean value between the BRET value when the carrier is at rest (Maximal distance between Donor and Acceptor) and the BRET value when it is closed (Shortest distance between Donor and Acceptor)
11905	1	Biochemical JAK Kinase Assays	A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% Brij-35, 10 mM MgCl2, and 1 mM EGTA). Recombinant GST-tagged JAK enzymes and a GFP-tagged STAT1 peptide substrate were obtained from Life Technologies. Serially diluted compounds were pre-incubated with each of the four JAK enzymes and the substrate in white 384-well microplates (Corning) at ambient temperature for 1 h. ATP was subsequently added to initiate the kinase reactions in 10 &#956;L total volume, with 1% DMSO. The final enzyme concentrations for JAK1, 2, 3 and Tyk2 are 4.2 nM, 0.1 nM, 1 nM, and 0.25 nM respectively; the corresponding Km ATP concentrations used are 25 &#956;M, 3 &#956;M, 1.6 &#956;M, and 10 &#956;M; while the substrate concentration is 200 nM for all four assays. Kinase reactions were allowed to proceed for 1 hour at ambient temperature before a 10 &#956;L preparation of EDTA (10 mM final concentration) and Tb-anti-pSTAT1 (pTyr701) antibody (Life Technologies, 2 nM final concentration) in TR-FRET dilution buffer (Life Technologies) was added. The plates were allowed to incubate at ambient temperature for 1 h before being read on the EnVision reader (Perkin Elmer). Emission ratio signals (520 nm/495 nm) were recorded and utilized to calculate the percent inhibition values based on DMSO and background controls.
11906	1	Inhibition of Proteolytic Activity Asay	Inhibition of proteolytic activity was tested using recombinant SARS-Cov-2 Mpro, as described herein in the Experimental section. For the kinetic assays, 100 nM Mpro in reaction buffer (20 mM Tris, 100 mM NaCl, 1 mM DTT, pH 7.3) was incubated with or without compound in DMSO at varying concentrations to a final DMSO concentration of 6% for 15 minutes with shaking at room temperature. The reaction was initiated by addition of substrate (Dabcyl-KTSAVLQ&#8595;SGFRKM-E(Edans-NH2); GL Biochem) in reaction buffer, which is cleaved by Mpro, generating a product containing a free Edans group. Fluorescence was monitored at an excitation wavelength of 360 nm and emission wavelength of 460 nm. Baseline subtraction controlled for intrinsic fluorescence of each compound as well as intrinsic fluorescence of the un-cleaved FRET substrate. All tested compounds had purity of at least 95% based on HPLC, and all measurements were performed in triplicate and averaged.
11907	1	CDK1/Cyclin B1 ADP-Glo Kinase Assay	The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK1/Cyclin B1 was purchased from Carna (Cat 04-102). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (f inhibitor), 10 mM MgCl2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 80 uM ATP (ATP Km=78.6 uM), 0.01% Brig-35, 0.75 uM substrate, and 4.917 nM CDK1/Cyclin Bl enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90 minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader.
11907	2	CDK2/Cyclin E1 Full Length ADP-Glo Kinase Assay	ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK2/Cyclin E1 was purchased from Eurofins (Cat 14-475M). Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (f inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 20 uM ATP (ATP Km=64.78 uM), 0.01% Brig-35, 0.75 uM substrate, and 0.328 nM wild-type full length CDK2/Cyclin E1 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90 minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader.
11907	3	CDK4/Cyclin D1 Mobility Shift Assay (MSA)	CDK4/Cyclin D1 catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the substrate peptide 5-FAM-Dyrktide (5-FAM-RRRFRPASPLRGPPK) (Perkin Elmer Peptide 34). The mobility shift assay (MSA) electrophoretically separates the fluorescently labelled peptides (substrate and phosphorylated product) following the kinase reaction. Both substrate and product are measured, and the ratio of these values is used to generate % conversion of substrate to product by the LabChip EZ Reader. Typical reaction solutions contained 2% DMSO (+/&#8722;inhibitor), 10 mM MgCl2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 0.2 mM ATP, 0.01% Brig-35, 1.5 uM 5-FAM-Dyrktide, 2.5 nM CDK4/Cyclin D1 in 50 mM HEPES buffer at pH 7.5. The reaction was initiated with the addition of substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. The reaction was stopped after 180 minutes by the addition of 75 uL of 500 mM EDTA and measured on a Perkin Elmer EZ reader instrument. 
11907	4	CDK4/Cyclin D1 (Chelation-Enhance Fluorescence)(CHEF) Assay	In a CHEF assay, phosphorylation of a peptide substrate results in proportional increase in fluorescence. CHEF kinase assay use peptide substrates containing a synthetic alpha-amino acid with a side chain bearing an 8-hydroxyquinoline derivative (sulfonamido-oxide, Sox). Upon phosphorylation of a nearby serine, threonine or tyrosine and in the presence of Mg(II), the spectral properties of the Sox residue are altered, emitting 485 nm wavelength light when excited with a 360 nm wavelength light source. CDK4/Cyclin D1 catalyzes the phosphoryl transfer to the SOX-labeled substrate peptide AQT0258 from Assayquant Technologies. Typical reaction solutions contained 2% DMSO (+/&#8722;inhibitor), 10 mM MgCl2, 1 mM DTT, 200 uM ATP (ATP Km=195.2 uM), 0.012% Brig-35, 10 uM AQT0258 peptide, 0.02% BSA, 1% Glycerol, 0.55 mM EGTA, 2.5 nM CDK4/Cyclin D1 in 54 mM HEPES buffer at pH 7.5. The reaction was initiated with the addition of substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at 22° C. in the reaction mix. Reactions were allowed to proceed for 3 hrs at 22° C., followed by fluorescence read of the reaction. 
11907	5	CDK6/Cyclin D3 ADP-Glo Kinase Assay	CDK6/Cyclin D3 catalyzes the production of ADP from ATP. ADP-Glo assay monitors ADP producing biochemical reactions. ADP-Glo is performed in 2 steps upon completion of kinase reaction: a combined termination of kinase reaction and depletion of remaining ATP in the first step, and conversion of generated ADP to ATP and the newly produced ATP to light output using luciferase/luciferin reaction in the second step. The luminescent signal generated is proportional to the ADP concentration produced and is correlated with the kinase activity. CDK6/Cyclin D3 was purchased from Carna. Typical reaction solutions (10 uL final reaction volume) contained 2% DMSO (f inhibitor), 10 mM MgCI2, 1 mM EGTA, 0.05% BSA, 2 mM DTT, 100 uM ATP (ATP Km=291.7 uM), 0.01% Brig-35, 0.75 uM substrate, and 5 nM wild-type CDK6/Cyclin D3 enzyme complex in 50 mM HEPES buffer at pH 7.5. The assay was initiated with the addition of ATP-containing substrate solution, following a 30-minute pre-incubation of enzyme and inhibitor at room temperature in the reaction mixture. The reaction was stopped after 90 minutes at room temperature by the addition of 10 uL of ADP-GLO Reagent. After a 90-minute incubation, 20 uL of Kinase Detection Reagent was added. Samples were incubated for 40 minutes, after which plate well luminescence was measured on a Envision microplate reader.
11908	1	TR-FRET Assay	A TR-FRET assay was used to assess the effect of compounds disclosed herein on the interaction between RBM39 and the DCAF15 complex. Test compounds were dissolved to form a 10 mM DMSO stock solution. A 45 &#956;L aliquot of the stock solution was transferred to a 384 pp-plate, and a threefold, 8-point dilution was performed via transferring 15 &#956;L compound solution into 30 &#956;L of DMSO. The plates were then spun at room temperature at 1,000 RPM for 1 minute. A 30 nL aliquot of the diluted compound was transferred to a 384 well plate, which was incubated at room temperature for 15 minutes. Next, Solutions 1, 2, and 3 were prepared as described in the below tables. A 5 &#956;L aliquot of Solution 2 was added to each well, followed by 5 &#956;L of Solution 3 to start the reaction. The final volume of each well was 10 &#956;L. The plates were incubated at room temperature for 60 minutes, and then read.
11909	1	Fluorescence Resonance Energy Transfer (FRET) Assay.	Assay Reaction: The assay was conducted according to the following: Each assay reaction was conducted in a volume of 25 &#956;l in a 384-well half-volume plate. 10 point compound serial dilutions (3-fold) were generated in DMSO at a concentration of ×50 that of the final assay concentration (FAC). Compound solutions were then prepared by IgE-Tb diluting 10-fold in assay buffer. For the assay, 5 &#956;l of diluted compound was added to 10 &#956;l of IgE-Tb, followed by addition of 10 &#956;l Fc&#949;R1&#945;-Y131A-AF488. FRET reagents FACs were 5 nM IgE-Tb, 25 nM Fc&#949;R1&#945;-Y131A-AF488. Usually the top FAC of compound in the assay was 10 &#956;M. The final DMSO concentration was 2%. The minimum signal (MIN) was measured by adding 5 &#956;l unlabelled Fc&#949;R1&#945; at 1 &#956;M (FAC=200 nM) to the FRET reagents. The maximum FRET signal (MAX) was measured in wells containing FRET reagents but no compound. The assay was incubated for 2 hours at room temperature, protected from light and evaporation, and with gentle agitation.
11910	1	Measurement of CSF1R Kinase Activity	Methods: 1) Kinase Reaction (10 &#956;L System)2.5 &#956;L of 4× test compound was added to each reaction well of the 384 plate, and the corresponding volume of 8% DMSO was added to the control well. The plate was placed on ice. 5 &#956;L of a mixture of kinase/peptide substrate, 2.5 &#956;L of kinase buffer and ATP solution were successively added to each well. Three control groups were set up: Group C1 contains only kinase buffer, group C2 contains the mixture of kinase/peptide substrate, kinase buffer and ATP, and group C3 contains 5 &#956;L of PP solution. After adding the reaction components, the 384-well plate was sealed and incubated at 25-30° C. for 1 h in dark.2) Development Reaction5 &#956;L of Development solution was added to each well, sealed and incubated at 25-30° C. for another 1 h in dark.3) Reaction Stopping and Plate Reading5 &#956;L of stopping solution was added to each well. The Coumarin value (excitation at 400 nm, emission at 445 nm) and Fluorescein value (excitation at 400 nm, emission at 520 nm) were measured, respectively.
11911	1	Measurement of Human SPR Inhibitory Activity Assay	Human SPR inhibitory activity was measured by using a 384-well low adsorption clear plate (Greiner) with buffer D containing 100 mM Tris-HCl (pH 7.5) (Thermo Fisher Scientific) and 0.01% bovine serum albumin (Sigma). A compound was diluted with DMSO to a concentration of 1 mM, and a 1 &#956;L aliquot of the preparation was diluted with 250 &#956;L of buffer D. The thus-diluted compound was dispensed into the 384-well plate at L/well. Thereafter, human SPR was diluted with buffer D to 200 ng/mL and then dispensed into the 384-well plate at 20 &#956;L/well. Subsequently, 40 &#956;L of ultrapure water containing 120 &#956;M Sepiapterin (WuXi AppTec) and 120 &#956;M NADPH (Nacalai) was added to each well, and mixed with a vortex mixer, to thereby initiate the reaction. The reaction mixture was incubated at room temperature for 240 minutes, and the reaction was terminated by addition of 10 &#956;L of ultrapure water containing 2% formic acid (Nacalai). In order to determine the amount of sepiapterin after termination of the reaction, the absorbance at 420 nm was measured by applying the 384-well plate to EnSpire multimode plate reader (Perkin Elmer). 
11912	1	SHP2 Allosteric Inhibition Assay	The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMUP in a prompt fluorescence assay format.The phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, non-binding surface (Corning, Cat #3650) using a final reaction volume of 100 &#956;L and the following assay buffer conditions: 50 mM HEPES, pH 7.2, 100 mM NaCl, 0.5 mM EDTA, 0.05% P-20, 1 mM DTT.The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.00005-10 &#956;M) was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST (pY)ASINFQK-amide) or Activating Peptide 2 (sequence: H2N-LN(pY)AQLWHA(dPEG8) LTI(pY)ATIRRF-amide). After 30-60-minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized ICso regression curve fitting with control based normalization.
11913	1	MNK Biochemical Enzymatic Assay	This protocol establishes the binding assays for MNK1 and MNK2 using ADP-Glo assay. MNK phosphorylates the substrate and converts ATP to ADP, which was detected by Envision and used to reflect the reminding activity of MNK. Reagents and equipment used in the assay are listed below, followed by the protocol.Number Name Vendor Cat#&#8194;1 HEPES Life Technologies 15630-080&#8194;2 NaCl Sigma S5886-1Kg&#8194;3 MgCl2 Sigma M1028&#8194;4 BSA Sigma B2064-50G&#8194;5 Tween-20 Bio-RAD 170-6531&#8194;6 ADP-Glo Kinase Assay Promega V9101&#8194;7 MNK1 Carna &#8194;8 MNK2 Carna &#8194;9 ATP Promega V915B10 Substrate peptide NJ peptide 11 Topseal A PerkinElmer E534112 OptiPlate-384 PerkinElmer 600729013 Envision Perkin Elmer 210414 Centrifuge Eppendorf 5810R15 Echo 550 Liquid Handler Labcyte Echo 550a) Add 50 &#956;L compound to 384-well dilution plateb) Dilute compound 1:3 in succession in DMSO for each column for 10+0 pts (refer to dilution plate map)c) Transfer 0.1 &#956;L diluted compound solution in each row to 384 assay plate using Echo, each column containing 2 replicates (refer to assay plate map)d) Add 5 &#956;L enzyme working solution to 384-well assay plate, centrifuge 1000 RPM for 1 mine) Incubate at 25 C. for 15 minf) Add 5 &#956;L substrate working solution to initiate reactiong) Incubate at 25 C. for 60 minh) Add 10 &#956;L ADP Glo reagent, centrifuge 1000 RPM for 1 mini) Incubate at 25 C. for 60 minj) Add 20 &#956;L kinase detection reagent, centrifuge 1000 RPM for 1 mink) Incubate at 25 C. for 60 minl) Read on Envision for US LUM as RLUm) Data analysis: IC50s were determined based on a non-linear regression analysis of data collected.
11914	1	Mu-Opioid Receptor Activity Assay	Human or mouse MOR cDNA was transfected alongside G&#945;oB with RLuc8 inserted at position 91 (G&#945;oB-RLuc8), G&#946;1 (&#946;1), and G&#947;2 fused to the full-length mVenus at its N terminus (mVenus &#947;2) into HEK-293T cells (5×106 cells/plate) in 10-cm dishes using PEI (Polysciences Inc.; Warrington, PA) in a 1:1 ratio diluted in Opti-MEM (Life Technologies Corp.; Grand Island, NY) to assay for G protein activation as described previously (Rives, M.-L. et al. J. Biol. Chem. 2012, 287, 27050-4; Negri, A.; Rives, M.-L.; Caspers, M. J. et al. J. Chem. Inf. Model. 2013, 53, 521-526). Cells were maintained in the Dulbecco&#39;s Modified Eagle Medium (high glucose #11965; Life Technologies) supplemented with 10% FBS (Premium Select, Atlanta Biologicals; Atlanta, GA) and 100 U/mL penicillin and 100 &#956;g/mL streptomycin (#15140, Life Technologies). After 24 hours the media was changed, and the experiment was performed 24 hours later (48 hours after transfection). BRET. Transfected cells were dissociated and resuspended in phosphate-buffered saline (PBS). Approximately 200,000 cells/well were added to a black-framed, white well 96-well plate (#60050; Perkin Elmer; Waltham, MA). The microplate was centrifuged and the cells were resuspended in PBS. Then 5 &#956;M of the luciferase substrate coelenterazine H was added to each well for 5 minutes. Following coelenterazine H addition, ligands were added and the BRET signal was measured at 5 minutes on a PHERAstar FS plate reader. Quantification of the BRET signal required calculating the ratio of the light emitted by the energy acceptor, mVenus (510-540 nm), over the light emitted by the energy donor, RLuc8 (485 nm). This drug-induced BRET signal was normalized using the Emax of DAMGO as the 100% maximal response for G protein activation. Dose response curves were fit using three-parameter logistics equation in GraphPad Prism 6.
11915	1	SOS1 GDP TR-FRET Assay	This assay was used to identify compounds which competitively interact with the binding of KRAS protein to SOS1 in the presence of GDP. GST-tagged WT KRAS (amino acids 1-188), GST-tagged KRAS (amino acids 1-188) G12D and His- tagged SOS1 protein (amino acids 564-1049) was expressed in E. coli and purified. All protein and reaction solutions were prepared in assay buffer containing DPBS pH7.5, 0.1% BSA, and 0.05% Tween 20. Purified GST-tagged WT KRAS or KRAS G12D protein (37.5 nM final assay concentration) and GDP (Sigma, 10 &#956;M final assay concentration) mixture, a serially diluted compound (top final concentration is 50 uM or 10 uM, 3-fold serially diluted, 10 points) and His-tagged SOS1 protein (18 nM final assay concentration) were added into the assay plates (384 well microplate, black, Corning) sequentially. Plates are incubated at 24° C. for 1 hr. Following the incubation, Mab Anti-6His-Tb cryptate (Cisbio) and Mab Anti GST-D2 (Cisbio) were added and further incubated at 24° C. for another 1 hr. The TR-FRET signals (ex337nm, em665nm/620nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of KRAS protein binding with SOS1 in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm.
11916	1	Fluorescent Polarization (FP) ASGPR Binding Assay	The assay was performed in 384-well microplates (GREINER bio-one, 781076). Membrane prepared from Wistar rat liver was used as a source of ASGPR and Cy5 fluorophore-labeled trimeric GauNAc-tool compound was used as a tracer.In the FP binding experiments, 15 &#956;ltest sample was mixed with 15 &#956;l of 65 ag liver membrane. After 10 minutes incubation at room temperature, 10 &#956;l of the Cy5-labeled trimeric GalNAc-tool compound (final concentration: 1 nM) were added. The FP signals were recorded after 30 minutes incubation at room temperature at Ex. 612 nm/Em. 670 with PheraStar FXS (BMG Biotech). The optimal FP buffer was 50 mM Tris, pH 7.4; 3 mM CaCl2; 0.04% Triton X100; 0,05% BSA.
11917	1	CYP1A2 Inhibition Assay	A stock solution of KCI838 was be prepared in DMSO at 50 mM and stored at &#8722;20° C. Serial dilutions of the stock solution were prepared in acetonitrile:DMSO (9:1) for CYP inhibition testing. The final DMSO content in the reaction mixture was equal in all solutions used within an assay, and was &#8804;0.2%. KCI838 was be incubated at seven increasing concentrations in with pooled human liver microsomes (Bioreclamation-IVT, Baltimore MD) in the presence of 2 mM NADPH in 100 mM potassium phosphate (pH 7.4) containing 5 mM magnesium chloride and the probe substrate, tacrine (5 uM), in a 200 &#956;L assay (final volume). The selective CYP1A2 inhibitor &#945;-naphthoflavone was screened alongside KCI838 as a positive control. After incubation for 10 min at 37° C. (Table 1), the reactions were terminated by addition of methanol containing internal standard for analytical quantification. The quenched samples were incubated at 4° C. for 10 min and centrifuged at 4° C. for 10 min. The supernatant was removed, and the probe substrate metabolite analyzed by LC-MS/MS. 
11917	2	UGT1A1 Inhibition Assay	KCI838 was incubated at seven increasing concentrations with human UGT1A1-expressed Supersomes (0.25 mg/mL), alamethicin (25 &#956;g/mL) and UDPGA (5 mM) in the presence of the probe substrate estradiol (10 &#956;M) for 30 min at 37 C. The UGT1A1 inhibitor, atazanavir, was screened alongside the test compounds as a positive control. The reactions were terminated by quenching with one volume of methanol containing an analytical internal standard. The samples will be centrifuged at 5000 rpm for 10 min at 4 C. The metabolites were monitored by LC-MS/MS and a decrease in the formation of the metabolite compared to the vehicle control was used to calculate an IC50 value (test compound concentration which produces 50% inhibition).
11918	1	In Vitro Assay	This potassium flux assay employs the cell-permeable, potassium-sensitive dye, IPG-2 AM, to quantify potassium ion flux through potassium channels.In general, TREX HEK 293 or HEK 293 cells were stably transfected with either an inducible or non-inducible expression vector containing the full-length cDNA coding for the desired human KV7.2/KV7.3 or in combination with another full-length cDNA for a second desired human KV7 potassium channel. Potassium channel-expressing cell lines were induced with tetracycline (1 g/mL), if required, and plated on 384-well poly-D-lysine (PDL)-coated plates in culture media (DMEM, containing 10% FBS and 1% L-glutamine). After overnight incubation, culture media was removed and cells were loaded with 5 M IPG-2 AM dye for 1 hour in Assay buffer (140 mM NaCl, 20 mM RbCl, 2 mM CaCl2, 1 mM MgCl2, 10 mM HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid buffer), 10 mM glucose, adjusted with Tris to pH 7.4). Excess dye was removed, and cells incubated at room temperature for 20 minutes with or without test compound. A Hamamatsu FDSS Cell was used to perform a 1:1 addition of K challenge buffer (150 mM NaCl, 10 mM HEPES, 2 mM CaCl2, 10 mM KCl, 1 mM MgCl2, 10 mM glucose, adjusted with Tris to pH 7.4 for human KV7.2/KV7.3, and simultaneously read plates at excitation wavelength of 530 nm and emission wavelength of 558 nm. Non-potassium channel-mediated potassium influx was determined in the presence of DMSO, and maximal influx was determined in the presence of a known KV7.x channel modulator. For each test compound, a concentration response curve was generated with 16 concentrations points, 2-fold serial dilution starting at 30 M and an EC50 value was determined.
11919	1	ABL1 Biochemical Kinase Assay	The activity of the enzyme and compound inhibition was tested using an EZ reader microfluidic mobility shift assay (PerkinElmer, Waltham, MA). For inhibition studies, compounds were serially diluted in DMSO, using an 11-point 3-fold format, from a 1000 &#956;M top compound concentration. 20 nL per well of serial diluted compounds were transferred to Greiner polypropylene flat-bottom 384-well assay plates using an acoustic transfer system (Echo 550). A 15 &#956;L reaction mixture containing fluorescent peptide, enzyme, buffer, co-factors and detergent was added to each well and incubated at room temperature (RT) for 30 minutes. 5 &#956;L per well of an ATP solution was then added and reactions were carried out for 90 minutes before being quenched with 70 &#956;L of stopping buffer containing 500 mM EDTA. The reactions were read on an EZ Reader (PerkinElmer, Waltham, MA) using a mobility shift readout. The final concentrations in each reaction were 1.5 &#956;M FL-Peptide 2 (PerkinElmer, Waltham, MA), 1 nM ABL1 WT (64-515 aa) enzyme, 50 mM HEPES (pH 7.5), 1 mM EGTA, 2 mM DTT, 0.05% BSA, 10 mM MgCl2, 0.01% Triton-X100 and 20 &#956;M ATP. The final DMSO concentration was 0.1% and the final inhibitor concentration ranged from 1000 nM to 0.017 nM.
11920	1	ADP-Glo Kinase Assay	To measure the effect of the compounds on the activity of AURKA, the IC50 of the compounds was determined with the ADP-Glo Kinase Assay (Promega, V9101) and the Aurora A Kinase Enzyme System (Promega, V1931). The assay was performed according to the manufacturer&#39;s instructions in a white 384-well plate format (Corning Assay Plate, LOT 32216024) by using 1.4 ng/&#956;l Aurora A, 25 mM ATP and 0.1 &#956;g/&#956;l myelin basic protein (MBP) substrate in a total volume of 6 &#956;l (transferred with Integra viaflo 96/384 handheld channel pipette). To generate a dose-response curve, a 3-fold serial dilution of the compounds was tested starting from 1 &#956;M. The kinase was pre-incubated for 10 min at RT with the respective compound, before the substrate mix containing MBP and ATP was added. After 60 min at RT, 6 &#956;l of the ADP-Glo reagent were added and incubated for another 60 min at RT. Afterwards 12 &#956;l of the detection reagent were added and incubated for 30 min at RT before the luminescence was measured with an integration time of 500 ms by using a Filter Max F5 multi-mode microplate reader from Molecular Devices. As a negative control, the reaction was performed with MBP, ATP and Aurora A only. The positive control was performed with inactive Aurora A (boiled for 10 min), MBP and ATP.
11921	1	In Vitro ERAP Activity Assay	The enzymatic activity of ERAP1 or 2 was assayed using L-AMC (L-Leucine-7-amido-4-methylcoumarin hydrochloride) or R-AMC (L-Arginine-7-amido-4-methylcoumarin hydrochloride) respectively. Hepes at 50 mM with 100 mM NaCl at pH 7 was used as buffer. Briefly, 60 nL of test compounds were added in 384-wells plates (dark, non-binding surface) by acoustic dispensing with nanoacoustic dispenser Echo (Labcyte) and pre-incubated 30 minutes at ambient temperature with 10 uL of ERAP 0.8 ug/mL or 1 ug/mL or vehicle. The reaction was then started with the addition of 10 uL of substrate at 10 uM. The final concentration of ERAP, substrate and DMSO was 0.5 ug/mL, 5 uM and 0.4% respectively. For the kinetic readout a Victor 3V (Perkin-Elmer) was used with excitation at 380 nm and emission at 450 nm. The fluorescence was measured each 3 minutes during one hour. The Z and Z' factors were calculated according to J.-H. Zhang, T. D. Y. Chung, K. R. Oldenburg, A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays, J. Biomol. Screen., 4 (1999) 67-73. Data analysis was performed using Xlfit v 5.0 or GraphPad Prism v 4.0.
11922	1	QPCTL Enzymatic Activity Assay	Compound IC50 values for the inhibition of QPCTL activity were determined using a biochemical fluorescent-based assay. QPCTL activity was measured in a coupled-enzyme assay using the QPCTL substrate, glutamine-7-amido-4-methylcoumarin (H-Gln-AMC, Bachem), which is converted to pyroglutamyl-AMC by QPCTL. Pyroglutamyl-AMC is then converted to the fluorescent molecule, AMC, by incubation with the human enzyme pyroglutamyl peptidase-1. Test compounds or controls (SEN177 and DMSO) diluted in 100% DMSO were preincubated with 10-12 nM QPCTL in multi-well plates in assay buffer (25 mM HEPES pH 7.0) for 30 minutes at 37° C. Final concentrations of DMSO and test compounds were 2% and 30-100 &#956;M, respectively. Following the incubation, H-Gln-AMC substrate was diluted in assay buffer and added to each well for a final concentration of 10 &#956;M. The reaction was incubated for 60 min at 37° C., before stopping it by boiling at 100° C. for 5 minutes and cooling the plate at 4° C. for 3 minutes. An equal volume of 38 nM recombinant, human PGPEP-1 (rhPGPEP-1, R&D Systems) in 100 mM Tris pH 8.0, 5 mM dithiothreitol was added to the reaction for a final concentration of 19 nM and incubated for 25 minutes at room temperature. Following incubation, the fluorescence was measured with a plate reader using excitation at 380 nm and emission at 460 nm. Percent inhibition of enzymatic activity by test compounds was calculated by normalizing the data to the 2% DMSO and 30-100 &#956;M SEN177 control values, which represent 0% and 100% inhibition of enzymatic activity, respectively.
11922	2	QPCT Enzymatic Activity Assay	Compound IC50 values for the inhibition of QPCT (rhQPCT, R&D Systems) activity were determined using a biochemical fluorescent-based assay. QPCT activity was measured in a coupled-enzyme assay using the QPCT substrate, glutamine-7-amido-4-methylcoumarin (H-Gln-AMC, Bachem), which is converted to pyroglutamyl-AMC by QPCT. Pyroglutamyl-AMC is then converted to the fluorescent molecule, AMC, by incubation with the human enzyme pyroglutamyl peptidase-1 (PGPEP-1). Test compounds or controls (SEN177 and DMSO) diluted in 100% DMSO were preincubated with 10-12 nM QPCT in multi-well plates in assay buffer (25 mM HEPES pH 7.0) for 30 minutes at 37° C. Final concentrations of DMSO and SEN177 were 2% and 30-100 &#956;M, respectively. Following the incubation, H-Gln-AMC substrate was diluted in assay buffer and added to each well for a final concentration of 10 &#956;M. The reaction was incubated for 60 min at 37° C., before stopping it by boiling at 100° C. for 5 minutes and cooling the plate at 4° C. for 3 minutes. An equal volume of 38 nM recombinant, human PGPEP-1 (rhPGPEP-1, R&D Systems) in 100 mM Tris pH 8.0, 5 mM dithiothreitol was added to the reaction for a final concentration of 19 nM and incubated for 25 minutes at room temperature. Following incubation, the fluorescence was measured with a plate reader using excitation at 380 nm and emission at 460 nm. Percent inhibition of enzymatic activity by test compounds was calculated by normalizing the data to the 2% DMSO and 30-100 &#956;M SEN177 control values, which represent 0% and 100% inhibition of enzymatic activity, respectively. 
11923	1	Inhibition Activity of Compounds of the Present Invention on TYK2 JH2 Domain	Compound of the present invention formulated into different concentrations (series 3 times dilutions, started from 60 &#956;M, 11 concentrations in total) was added to 384-well plate, followed by 5 &#956;L of enzyme (i.e., TYK2 JH2 domain), Tb antibody (Cisbio) and tracer. The mixture was incubated at 25° C. for 60 min and left at 4° C. overnight. Based on the fluorescence signals of the reaction system at 665 nm and 615 nm read using Envision in FRET mode, inhibition rate was calculated with the following formula:%&#8290;inhibition=1-[Ratiocmpd-Ratio_lowRatio_High-Ratio_Low]*100&#8290;%wherein: Ratio meant the ratio of fluorescence signals (channel 665/channel 615); High meant high control, i.e., the fluorescence signal of the wells detected by the method which was operated similarly but no compound of the present invention was added; Low meant Low control, i.e., the fluorescence signal of the wells detected by the method which was operated similarly but neither enzyme nor compound of the present invention was added.
11924	1	In Vitro Enzymatic Activity Assay	In the present application, the IC50 value of the compound of formula (I) in inhibiting BRD4 (BD1) enzyme binding reaction were determined by homogeneous time resolved fluorescence (HTRF). The compound of formula (I) was serially diluted 5-fold with 100% DMSO starting from 0.2 mM (7 concentrations in total), and then 2 &#956;L of the compound of formula (I) at each concentration was added to 48 &#956;L of a reaction buffer (20 mM HEPES pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005 % Tween 20, and 100 &#956;g/mL BSA) for dilution, and mixed well. 2.5 &#956;L of the resulting mixture was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), then 5 &#956;L of GST-BRD4 (BD1, 44-168 aa) (final concentration: 1 nM) was added, and the resulting mixture was centrifuged, and fully mixed. 2.5 &#956;L of a short peptide Biotin-AHA-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac) RHRKV (final concentration: 100 nM) was then added to initiate the reaction (total reaction volume: 10 &#956;L). The 384-well plate was placed in an incubator at 23° C. to react for 1 hour, and then 5 &#956;L of Eu3+cryptate-labled anti-GST antibody (purchased from Cisbio) and 5 &#956;L of Streptavidin-XL-665 (purchased from Cisbio) were added to terminate the reaction. After being incubated in the incubator for another 1 hour, the fluorescence values (excited at 320 nm, emitted light at 665 nm and 620 nm being detected, and the ratio of the two being the enzyme binding signal) were read on Envision (purchased from PerkinElmer).
11925	1	Receptor Binding Assay	1. Experimental Materials1.1 Reagent MaterialsLigand: LANCL2Running buffer: 20 mM MES, 150 mM NaCl, 0.05% P20, pH 6.5, 1% DMSO1.2 EquipmentsEquipment name: Biacore S200Chip type: CM5 (29-1496-03)2. Experimental Methods2.1 Ligand CouplingLANCL2 protein was immobilized, and diluted to 50 &#956;g/mL using sodium acetate solution at pH 4.0.Injection conditions: the CM5 chip surface was activated with a mixture of EDC/NHS with a flow rate of 10 &#956;L/min and an injection time of 420 s; then LANCL2 injection was performed with a flow rate of 5 &#956;L/min and an injection time of 2000 s, and the ligand coupling volume each time was about 1800 RU; finally, the chip surface was blocked with ethanolamine with a flow rate of 10 &#956;L/min and an injection time of 420 s.Coupling buffer: 20 mM MES, 150 mM NaCl, 0.05% P20, pH 6.5.2.2 Experimental ConditionsAnalytes: All sample analytes of small molecule compounds were diluted 2-fold from a concentration of 50 &#956;M to a concentration of 0.78 M, so as to obtain a compound solution containing 1% DMSO.Injection conditions for small molecule compounds: a flow rate of 30 &#956;L/min, a binding time of 60 s, a dissociation time of 300 s.Running buffer: 20 mM MES, 150 mM NaCl, 0.05% P20, pH 6.5, 1% DMSO.Sample chamber temperature: 25° C.; analysis temperature: 25° C.MethodsKinetic determination of LANCL2-small molecule interactions was performed. The kinetic parameters of small molecules BT-11 and L-1 to 60 (analytes) binding to LANCL2 (ligand) were determined using BIACORE S200. Data were generated in triplicate in a dose-dependent manner (5-8 titration points) and analyzed to determine binding models (Langmuir, conformational shifts, etc.), real-time association and dissociation constants, and equilibrium dissociation constants. SPR technology allows the validation of specific LANCL2-phytochemical interactions as well as an increased insight into the gold standard of binding mechanisms and rates. Experiments were performed on carboxymethyl polydextrose (CM5) sensor chips by amine-coupled covalent attachment of LANCL2. Data were analyzed with BIACORE S200T200 evaluation software (version 1), so as to determine affinity binding constants (KD) using a 1:1 binding model.
11926	1	JAK2 Z-Lyte Biochemical Assay	The JAK2 Z-Lyte biochemical assay was performed according to manufacturer&#39;s instructions (Life Technologies).
11927	1	FLIPR Assay	At the assay day cells were washed 3× with assay puffer, 20 &#956;L buffer remained in the wells after washing. 10 &#956;L Ca6 kit (Cat.R8191 MolecularDevices) loading buffer in HBSS/HEPES was added to the cells and the plates were incubated with lid for 120 minutes at 37°/5% CO2. 10 &#956;L of compound or controls in HBSS/HEPES buffer/5% DMSO from the intermediate dilution plate were carefully added to the wells. Luminescence (indicating the calcium influx or release) was read on the FLIPRtetra device for 10 minutes to monitor the compound induced effects (e.g. agonism). Finally 10 &#956;L of the agonist AITC 50 &#956;M dissolved in HBSS/HEPES buffer/0,05% DMSO (final concentration 10 &#956;M) was added to the wells followed by an additional read on the FLIPRtetra device for 10 minutes. The area under the signal curve (AUC) after AITC addition was used for IC50/% inhibition calculations.
11928	1	In-vitro Enzymatic Activity Assay	Experimental Reagents: Reagent Vendor Cat No.Recombinant Human His6-USP1/His6-UAF1 R&D E-568-050Complex ProteinUbiquitin Rhodamine 110 Protein, CF (Ub-Rho) R&D U-555-050Experimentalcomsumables:Consumables Vendor Cat No.384-Well plate Perkin Elmer 6007279First Experimental Method: 1. Compound Dilution1) The compounds of the present disclosure were prepared to 10 mM with DMSO, and used as test stock solutions.2) The stock solutions of the compounds of the present disclosure were diluted in a 4-fold gradient for 10 concentrations, with a maximum concentration of 10 mM.3) The diluted compounds of the present disclosure were respectively transferred to 384-well plates (diluted by 1,000 folds) by Echo550, 2 multiple wells were set for each concentration, and a final concentration of DMSO was 1%.4) The final concentrations of test compounds were 10,000 nM, 2,500 nM, 625 nM, 156 nM, 39 nM, 9.8 nM, 2.4 nM, 0.61 nM, 0.15 nM and 0.038 nM.2. Enzyme Reaction Experiment1) An enzyme solution was prepared in 1 test buffer.2) Ubiquitin Rhodamine 110 protein, CF (UB-Rho), was added into 1 determination buffer to prepare a substrate solution.3) 10 &#956;L of enzyme solution and 1 reaction buffer were transferred to a 384-well plate, and4) incubated at room temperature for 15 minutes.5) 10 &#956;L of substrate solution was added into each well to start the reaction, centrifuged for 30 seconds, and shaken for 30 seconds.3. Result Detection1) Plate reading was carried out on SpectraMax Paradigm for 30 minutes, with an excitation wavelength of 480 nm and an emission wavelength of 540 nm.2) Data on SpectraMax Paradigm were collected.4. Data analysisAn inhibition (% inh) was calculated by the following formula:inhibition&#8290;(%)=100&#8290;% Max-SignalMax-Minwherein, Max represented: a luminous signal intensity of a positive control well without adding the compound;Min represented: a luminous signal intensity of a negative control well without adding the enzyme; andSignal represented: a luminous signal intensity of the compound of the test sample.IC50 was Calculated by the Following Formula:&#119884;=Bottom+Top-Bottom1+(IC&#8290;50 &#119883;) HillSlopewherein, Y represented: % inhibition; andX represented: the concentration of the compound.
11929	1	Evaluation Human PLD1 Inhibitory Activity	A DMSO or test substance solution (the DMSO final concentration: 5%) prepared by diluting DMSO or test substance with an Assay buffer (50 mmol/L HEPES pH 7.5, 80 mmol/L KCl, 3 mmol/L EGTA, 3.6 mmol/L MgCl2, 0.01% NP-40, 0.1% BSA), and the solution was added to a 384 well Assay Plate (Black, Polystyrene, Non-Treated, Cat No. 3573, Corning) by 5 &#956;L/well. A full-length human PLD1 enzyme solution (6 nmol/L) diluted with an Assay buffer was added thereto by 5 &#956;L/well (the Assay buffer was added to blank wells). A 1,2-diheptanoyl-sn-glycero-3-phosphocholine (Avanti Polar Lipids) substrate solution (6 mmol/L) diluted with an Assay buffer was added thereto by 5 &#956;L/well, and enzymatic reaction was carried out at room temperature for 60 minutes. Immediately before stopping the reaction, a detection solution (200 &#956;mol/L AmplexRed (Thermofisher), 0.1 U/mL Choline Oxidase (Sigma-Aldrich), 4 U/mL Horseradish peroxidase (Thermofisher)) containing 4 &#956;mol/L of 5-fluoro-2-indolyl deschlorohalopemide (R&D Systems) as a reaction terminator was prepared with an Assay buffer, the detection solution was added thereto at 5 &#956;L/well to terminate the enzymatic reaction. Immediately after stopping the reaction and 30 minutes after incubation at room temperature, the fluorescence values at Ex: 531 nm/Em: 590 nm were measured by ARVO X5 (PerkinElmer).
11929	2	Evaluation of Human PLD2 Enzyme Inhibitory Activity	A DMSO or test substance solution (the DMSO final concentration: 5%) prepared by diluting DMSO or test substance with an Assay buffer (50 mmol/L HEPES pH 7.5, 80 mmol/L KCl, 3 mmol/L EGTA, 3.6 mmol/L MgCl2, 0.01% NP-40, 0.1% BSA), and the solution was added to a 384 well Assay Plate (Black, Polystyrene, Non-Treated, Cat No. 3573, Corning) by 5 &#956;L/well. A full-length human PLD2 enzyme solution (6 nmol/L) diluted with an Assay buffer was added thereto by 5 &#956;L/well (the Assay buffer was added to blank wells). A 1,2-diheptanoyl-sn-glycero-3-phosphocholine (Avanti Polar Lipids) substrate solution (6 mmol/L) diluted with an Assay buffer was added thereto by 5 &#956;L/well, and enzymatic reaction was carried out at room temperature for 60 minutes. Immediately before stopping the reaction, a detection solution (200 &#956;mol/L AmplexRed (Thermofisher), 0.1 U/mL Choline Oxidase (Sigma-Aldrich), 4 U/mL Horseradish peroxidase (Thermofisher)) containing 4 &#956;mol/L of 5-fluoro-2-indolyl deschlorohalopemide (R&D Systems) as a reaction terminator was prepared with an Assay buffer, the detection solution was added thereto at 5 &#956;L/well to terminate the enzymatic reaction. Immediately after stopping the reaction and 30 minutes after incubation at room temperature, the fluorescence values at Ex: 531 nm/Em: 590 nm were measured by ARVO X5 (PerkinElmer). The inhibition rate was calculated from the change in the fluorescence values immediately after stopping the reaction and after 30 minutes.
11930	1	Biochemical Assay	The enzymatic assay was established to determine IC50 values for inhibition of RNA methyltransferase activity. The enzyme used was full-length his-tagged METTL3 co-expressed with full length FLAG-tagged METTL14 in a baculovirus expression system. Enzymatic reactions were performed at room temperature in 384-well plates using a final reaction volume of 20 &#956;L containing 20 mM TrisCl pH 7.6, 1 mM DTT, 0.01% Tween-20. 5 nM final concentration of METTL3/14 was pre-incubated with various compound concentrations for 10 minutes, followed by addition of 0.2 &#956;M final concentration synthetic RNA substrate (5&#8242;P-uacacucgaucuggacuaaagcugcuc-3&#8242;) and 0.5 &#956;M final concentration S-adenosyl-methionine (SAM). The reaction was incubated for a further 60 minutes at room temperature, and then quenched by the addition of 40 &#956;L 7.5% TCA with two internal product standards (D4-SAH and 13C10-SAH). After termination, plates were sealed, centrifuged and stored at 4° C. until analysis.
11931	1	Enzymatic Activity Assay	Enzymatic activity was assessed using the AlphaLISA technology from Perkin Elmer Life Sciences (Waltham, Mass.). 2.5 &#956;L of compound solution and 5 &#956;L of LSD1 solutions in the assay buffer (50 mM Tris, pH 9.0, 50 mM NaCl with 0.01% Tween20 and 1 mM DTT added right before the assay) were added into a white low volume 384 well microtiter plate. This mixture solution was incubated for 15 minutes with gentle shaking at room temperature. Demethylation reaction was initiated by adding 2.5 &#956;L of Biotin-H3K4Me peptide substrate solution in the assay buffer. Final concentrations of LSD1, Biotin-H3K4Me peptide substrate, and DMSO were 4 nM, 80 nM, and 1%, respectively. The reaction was allowed to proceed for 60 minutes in dark with gentle shaking at room temperature, after which 5 &#956;L of Anti-H3K4 AlphaLISA acceptor beads in detection buffer from the manufacturer was added into the reaction mixture followed by incubation for 60 minutes. 10 &#956;L of Streptavidin labeled AlphaLISA donor beads in detection buffer was added into the mixture followed by 30-minute incubation. Final acceptor and donor beads concentrations were both at 10 &#956;g/mL. Plates were read on a BMG CLARIOStar multimode plate reader from BMG Labtech (Ortenberg, Germany) with an excitation wavelength of 680 nm and emission wavelength of 615 nm.
11932	1	In Vitro Activity Assay	In Vitro Activity: Evaluation of NMDAR Blocking Activity Using Patch-ClampPrevious studies have shown that the NMDAR exists in the peripheral vasculature.All NMDAR subunits were examined by RT-PCR and sequencing in the peripheral endothelium and peripheral vascular smooth muscle cells. The sequences of these NMDAR subunits in both vascular cells showed a high similarity if not identity to the sequences of brain NMDAR (Chen H et al, J Vasc Surg 2005, Qureshi I et al Vasc Med 2005).The molecules described herein were tested in serial concentrations ranging from 1 nM to 100 &#956;M for their NMDAR blocking activity using patch-clamp.
11933	1	In Vitro FRET Assay	In vitro FRET assay was performed to evaluate the ability of select compounds to inhibit IRE1, the results of which are summarized in Table 3. To perform the in vitro FRET assay, 1× complete assay buffer (CAB; 1M DTT, 50 mM sodium citrate pH 7.15, 1 mM magnesium acetate, 0.02% tween 20) was used to dilute SignalChem IRE1&#945; protein to a final concentration of 2 nM. Selected compounds were serially diluted with DMSO in a non-binding black 384-well plate for a total of 15 ul in each well. 2 ul of the serially diluted compound or DMSO control were then added to new wells containing 98 ul of 1×CAB, for a total volume of 100 ul, 10 ul of which were then transferred to wells of a new plate. 5 ul of the diluted IRE1&#945; was then added to each well. 5 ul of a 400 mM XBP1 RNA probe was then added to each well. Fluorescence was then read over 30 minutes in kinetic mode (485/515 nm).Two RNA probes were used, XBP1 wildtype (SEQ ID NO: 2) which is able to be spliced by active IRE1&#945; or XBP1 mutant (SEQ ID NO: 3) which is unable to be spliced. Each probe contained a 5&#8242; 6-FAM modification and a 3&#8242; IOWA Black FQ modification.A second FRET assay was performed to assess ATP-mediated inhibition. In this case, compounds and IRE1&#945; were prepared and combined as discussed above, with the addition of ATP up to 1 mM final concentration. This mixture was incubated at room temperature for 60 minutes and then 5 ul of 400 nM XBP1 wildtype or mutant RNA probe was added. Plates were then read over 30 minutes in kinetic mode (485/515 nm) and rate of fluorescence increase calculated for different compound dilutions to determine IC50.
11934	1	In Vitro DGK Inhibition Assay	The DGK&#945; and DGK&#950; reactions were performed using either extruded liposome (DGK&#945; and DGK&#950; LIPGLO assays) or detergent/lipid micelle substrate (DGK&#945; and DGK&#950; assays). The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 &#956;M CaCl2), and 1 mM DTT (assay buffer). The reactions using a detergent/lipid micelle substrate also contained 50 mM octyl B-D-glucopyranoside. The lipid substrate concentrations were 11 mM PS and 1 mM DAG for the detergent/lipid micelle reactions. The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions. The reactions were carried out in 150 &#956;M ATP. The enzyme concentrations for the DGK&#945; and DGK&#950; were 5 nM. The compound inhibition studies were carried out as follows: 50 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGK&#945; or DGK&#950; (prepared as described below) in assay buffer) and 2.5 mL of either 4× liposome or 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 &#956;L 2× enzyme/substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 &#956;L 300 uM ATP. The reactions were allowed to proceed for 1 hr, after which 2 &#956;L Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 &#956;L Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader.
11935	1	ALPK1 In Vitro Kinase Assay	ALPK1 kinase activity was measured in an in vitro assay using ADP-Heptose as the ALPK1 ligand and activator of its kinase activity and TIFA protein as the ALPK1 phosphorylation substrate. Since phosphorylated TIFA proteins oligomerize, Homogeneous Time-Resolved Fluorescence (HTRF) was used to measure protein: protein interaction between HA-tagged TIFA proteins as an indicator of TIFA phosphorylation. In brief, dose-response studies were performed with HEK293 cells cultured in Dulbecco&#39;s Modified Eagle Medium (DMEM) supplemented 10% fetal bovine serum (FBS, Hyclone ) containing antibiotics (pen/strep, G418) in 384-well assay plates. Each well contained 0.1 mg TIFA, ALPK1 (2 nM final concentration in reaction mixture) and kinase buffer (100 mM of HEPES pH 7.4, 4 mM DTT, 40 mM MgCl2, 20 mM of &#946;-Glycerol phosphate disodium salt, 0.4 mM of Na3VO4, 0.16 mg/mL). Titrations of the test compounds were prepared in dimethylsulphoxide (DMSO). The reaction was initiated by addition of ATP and ADP-Heptose.
11936	1	Enzyme Activity Test	Serum was diluted with diluent (1:23). Drugs were added to the diluted serum with 8 concentration gradients of up to 10 mM or 50 mM in a 5-fold serial dilution. The mixture was incubated at room temperature for 15 min. The mixture of compound and serum was added to a 96-well plate (100 &#956;L/well) provided in the kit, and activated at 37° C. for 1 hour. The plate was washed three times with wash buffer. The plate was added with detection antibody (100 &#956;L) provided in the kit and incubated at room temperature for 30 min. The plate was washed three times with wash buffer. The plate was added with substrate (100 &#956;L) and incubated at room temperature for 30 min. The absorbance was detected at 405 nM on a microplate reader.
11937	1	Kinase Assay	Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer SeaBlock (Pierce), 100 BSA, 0.0500 Tween 20, 1 mM DTT to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (2000 SeaBlock, 0.17×PBS, 0.0500 Tween 20, 6 mM DTT). Test compounds were prepared as 111&#955; stocks in 10000 DMS0. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. 
11938	1	Electrophoretic Mobility Shift Assay (MSA)	Btk kinase activity was measured in vitro using an electrophoretic mobility shift assay (MSA). The ability of Btk to phosphorylate a fluorescent peptide substrate (FAM-GEEPLYWSFPAKKK-NH2) was measured. The kinase reactions were assembled in a total volume of 25 &#956;L per well in 384 well plates. The following was added to each well: compound buffer (or control); enzyme buffer; and substrate buffer, as further described below. Specifically the following was added: (1) compound buffer or control: 5&#956;L of 5× compound buffer [(5× compound buffer comprised of: 1× Master Buffer, X &#956;M test compound in 5% dimethyl sulfoxide; (2× Master Buffer comprised of 200 mM HEPES, pH7.5, 0.2% BSA, and 0.02% Triton X-100)]; and (2) enzyme buffer: 10 &#956;L of 2.5× enzyme buffer (1× Master Buffer, 12.5 mM MgCl2, 2.5 mM DTT, 25 &#956;M sodium orthovanadate, 25 &#956;M beta-glycerophosphate, and 1.25 nM BTK enzyme). Human BTK enzyme Nanosyn-293HEK, wild-type, available from Nanosyn, Santa Clara, CA). Enzyme and compound were pre-incubated for 15 minutes. Additionally, the following was added: (3) substrate buffer: 10 &#956;L of 2.5× substrate buffer (1× Master Buffer, 50 &#956;M ATP, and 2.5 &#956;M of the peptide substrate FAM). Each plate was incubated at 25° C. for 3 hours. The reaction was terminated by adding to each well: 45 &#956;L of 1.55× stop buffer (1× Master Buffer and 31 mM EDTA). The final reaction mixture was as follows: 100 mM HEPES, pH7.5; 0.1% BSA; 0.01% Triton X-100; 1 mM DTT; 5 mM MgCl2; 10 &#956;M sodium orthovanadate; 10 &#956;M beta-glycerophosphate; 50 &#956;M ATP; 1% dimethyl sulfoxide (from compound); 1&#956;M fluorescent peptide substrate and 0.5 nM BTK- enzyme.
11938	2	Cereblon Binding Assay	Competition Assay: Test compounds in 100% dimethyl sulfoxide were plated onto white, low volume 384 well plates (PerkinElmer Proxiplate 384 plus # 6008289) using an Labcyte Echo acoustic dispenser, in an 11-point dose curve and 3-fold dilution scheme. This resulted in 10 &#956;M top dose (starting concentration) and 0.1% DMSO final concentrations after the addition of 10 &#956;L of an assay mixture containing His-tagged Cereblon/DDB1 complex and 50 &#956;M biotin-labeled ligand in a buffer (buffer: 10 mM HEPES pH7.4, 150 mM NaCl, 0.05% Tween-20 and 10 mM DTT). Plates were incubated for 30 minutes at room temperature. Detection: 10 &#956;L detection reagents were added in low light conditions containing nickel chelate acceptor beads and streptavidin donor beads (Perkin Elmer 6760002), resulting in a final concentration 20 ng/ml. Plates were incubated 1 hour and read on a PerkinElmerTM Envision plate reader (680 nm excitation and 570 nM emission settings). 
11939	1	p300 and CBP Protein Activity Assay	Reagent:Reaction buffer: 25 mM HEPES, pH 7.5, 25 mM NaCl, 0.025% CHAPS, 0.025% BSA, 0.5% DMSO.Ligand:Histone H4 (1-21) K5/8/12/16Ac-GG-Biotin.Standard Reaction Conditions:5 nM p300-GST, 50 nM peptide ligand.Reaction Procedure:1. 2.5×BRD was added to the wells of a reaction plate, except for control wells without BRD to which buffer was added instead.2. Compounds in 100% DMSO were delivered into the BRD mixture by acoustic technology (Echo550; nanoliter range). The plate was spun down. The mixture was incubated at room temperature for 30 min.3. 5×peptide ligand was delivered. The plate was spun down. The mixture was incubated at room temperature for 10 min.4. 5×HTRF detection mixture was delivered. The plate was spun down and the mixture was incubated in the dark for 2 h.5. A measurement of HTRF was performed with an Envision reader (Ex/Em=320/615, 665 nm).6. A HTRF ratio was calculated as follows: [em 665 nm/em 615 nm]*10000.
11940	1	KAT6A Biochemical Assay	Inhibition of KAT6A enzymatic activity by test compounds was determined using a radiometric 384-well format assay. A 10-point serial dilution of the test compounds were conducted in DMSO and then a volume of 200 nL was transferred into 384-well assay plate by Echo (Labcyte). 10 &#956;L of 2× enzyme solution (5 nM KAT6A (Active Motif) in assay buffer (50 mM Tris-HCl pH 8.0, 50 mM KCl, 0.1 mM EDTA, 5% glycerol, 1 mM DTT)) was dispensed into assay plate except for low control wells, in which 10 &#956;L of assay buffer was transferred. The plate was incubated at room temperature for 15 min before addition of 10 &#956;L of 2×[3H]-acetyl coenzyme A (Ac-CoA) and substrate peptide mix solution (500 nM (KAT6A) [3H]-Ac-CoA (PerkinElmer) and 800 nM (KAT6A) biotinylated H4(1-30) peptide (GL Biochem) in assay buffer) to each well to start reaction. The plate was incubated at room temperature for 60 min (KAT6A), and then the reaction was stopped by adding 10 &#956;L of stop solution (cold Ac-CoA (Cayman) in 1× assay buffer). 25 &#956;L of reaction in each well was transferred to Flashplate (PerkinElmer) and incubated for another 1 hour at room temperature. The plate was read on Microbeta and the inhibition percentage of each compound treated well was calculated based on the equation in h %=(Max&#8722;sample)/(Max&#8722;Min)*100 where Max is signal from high control wells with enzyme, and Min is signal from low control wells with assay buffer only. 
11941	1	ADP-Glo Kinase Assay	Experimental materials: JAK1 kinase (Invitrogen, PV4744), ATP (Promega, V915B), ADP-Glo Kinase Assay (Promega, V9101), IRS1 (Signalchem, 140-58-1000). Sample preparation: The compounds of the present invention and the control product were dissolved in DMSO solvent respectively to formulate into 10 mM mother liquor. The final reaction maximum concentration of the compound was 10 &#956;M, 3-fold dilution, 10 concentration gradients, and duplicate wells for each concentration gradient.Experimental process: 0.1 &#956;L of the compound to be tested was transferred into a 384-well reaction plate (PE, 6007290) via Echo and centrifuged at 1000 rpm/min for 1 min. 5 &#956;L of JAK1 kinase (final concentration of 4 nM) was transferred into the 384-well reaction plate, which was then centrifuged at 1000 rpm/min for 1 min, and incubated at 25° C. for 15 min. 5 &#956;L of substrate mixture (1 mM ATP, IRS1 0.05 mg/ml, kinase buffer solution) was transferred into the 384-well reaction plate, which was then centrifuged at 1000 rpm/min for 1 min, and incubated at 25° C. for 60 min. 10 &#956;L of ADP-Glo was transferred into the 384-well reaction plate, which was then centrifuged at 1000 rpm/min for 1 min, and incubated at 25° C. for 40 min. 20 &#956;L of test solution was transferred into the 384-well reaction plate, which was then centrifuged at 1000 rpm/min for 1 min and incubated at 25° C. for 40 min. RLU (Relative luminescence unit) signal was read by using an Envision multifunctional plate reader. 
11942	1	KRAS G12C-GDP Exchange Assay	1. Serially 4×-diluted compounds (10 concentration points in total) were separately premixed with KRAS G12C-GDP (ICE, Kras 20191018) in a reaction buffer (25 mM Hepes PH7.4, 125 mM NaCl, 5 mM MgCl2, 0.01% Tween20, and 0.1% BSA) in the reaction wells for 1 h. 2. A mixture of SOS (Pharmaron, ZZY-20190823), cRAF (Pharmaron, ZZY-20190823), GTP (Sigma, A6885-100MG), MAb Anti 6HIS-d2/MAb Anti GST-Eu (Cisbio, 61HISDLB/61GSTKLB) was added for a catalyzed reaction for 2 h.3. The fluorescence signals of the emitted light at 615 nm and 665 nm under 320 nm excitation light were read by Biotek Microplate Reader (Synergy4).4. The IC50 (median inhibitory concentration) of the compound was obtained by the following non-linear fitting formula: Y=Bottom+(Top&#8722;Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*Hill Slope)), and the data were analyzed by Graphpad 6-0 software.
11943	1	Activity Inhibition Assay on CDK Family Kinases	The inhibiting effects on the kinase activity of CDK1/CycB (Carna bioscience, #04-102), CDK2/CycA (Carna bioscience, #04-103) and CDK9/CycT (Carna bioscience, #04-110) were determined by using LANCE Ultra method.The kinase activity test was performed using a system (10 &#956;L) containing the following components: substrate diluent prepared by mixing CDK kinase diluent, Ulight-Myelic basic protein (Perkin Elmer, #TRF-0109, hereinafter referred to as U-MBP) and ATP (Thermo scientific, #PV3227); and the compounds (i.e., analyte) prepared in the examples of the present disclosure. The assay for each kinase includes three test groups, i.e., a background group (Blank), a non-inhibition group (PC), and compound testing group (Test). The components included in each test group were as follows:Kinase Substrate CompoundBlank 1.33 reaction buffer Substrate diluent 2% DMSO onlyPC Kinase diluent Substrate dilution 2% DMSO onlyTest Kinase diluent Substrate dilution Compound diluentWorking concentrations of the respective components of the Test groups in different kinase reactions were as follows.Compounds: 10 mM of the compound to be tested was dissolved at room temperature and diluted with DMSO to gradient concentrations, followed by diluting with deionized water to prepare a 4 working solution of the compound, and the content of DMSO was 2%. The highest concentration of compound used in the CDK1 and CDK2 assays was 10 &#956;M, and that in CDK9 assay was 1 &#956;M.1.33 reaction buffer: the components include 26.7 mM of MOPS, 6.67 mM of MgCl2, and 0.0133% Tween-20, which were stored in a 4 C. refrigerator and protected from light after preparation. Freshly prepared DTT was added to a final concentration of 5.33 mM before use.
11944	1	SHP2 Inhibition Enzymatic Assay	Assay volume of 20 &#956;L/well was assembled in 384 well black polystyrene low-binding microplates (Greiner), using the following buffer: 60 mM HEPES pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA pH 8, 0.05% tween-20, 5 mM DTT. The SHP-2 enzyme (synthetized by Origene, Met1-Leu525, cat #TP750155) was used at a final concentration of 0.5 nM. The enzyme was activated by 500 nM IRS1 peptide (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide SEQ ID No. 1) and incubated with 75 &#956;M DiFMUP (Sigma) as substrate.Briefly, DMSO serially diluted testing compounds were transferred to the bottom of the assay plate. SHP2 was then added together with the IRS1 peptide. 30 min post incubation, the DiFMUP substrate was added to the reaction and incubated 30 min at room temperature. Finally 5 &#956;L of 160 &#956;M bpV (Potassium bisperoxo[1,10-phenanthroline]oxovanadate [V], Sigma) were added to stop and quench the reaction. The fluorescence was detected by a microplate reader (Envision, PerkinElmer) according to the DiFMUP excitation and emission wavelength. The lower the fluorescence the higher the SHP2 inhibition. The activity of each compound dilution was calculated as percentage of inhibition between vehicle (DMSO, 0% inhibition) and no enzyme (100% inhibition). The percentage inhibition is fitted against the compound dilutions with a four-parameter logistic regression. 
11945	1	In Vitro CDK7 Assay	CDK7 activity is measured by following the production of ADP generated from ATP-dependent phosphorylation of the peptide substrate derived from RNA Pol II (CDK7/9 tide) by CDK7. Pyruvate kinase converts ADP and phosphoenolpyruvate (PEP) to ATP and pyruvate. Lactase dehydrogenase catalyzes pyruvate to lactate with a concomitant conversion of NADH to oxidized form NAD+, which is spectrophotometrically measured at 340 nm. The CDK7 assay was performed in 384-well microplates with a final volume of 100 &#956;L. Inhibitor serial dilutions and liquid handing for the assay were performed by using Janus from PerkinElmer (Downers Grove, IL) and Tempest from Formulatrix (Bedford, MA), respectively. To determine inhibitor potency of irreversible covalent inhibitors (kinact/K1 ratios), 500 nL of inhibitor in DMSO (or DMSO for controls) was added to the assay plate using Echo 555 from Labcyte (San Jose, CA) followed by 50 &#956;L of assay mixture consisting of 600 &#956;M peptide substrate (CDK7/9 tide, YSPTSPSYSPTSPSYSPTSPSKKKK), 1 mM ATP, 1 mM PEP, 200 &#956;M NADH, 1.2-2 units of PK, 1.8-2.8 units of LDH, 20 mM Tris-HCl (pH 7.4), 10 mM MgCl2, and 0.004% Triton X-100. Reactions were initiated by the addition of 50 &#956;L of 40 nM CDK7/cyclinH/MAT1 trimeric complex in 20 mM Tri-HCl (pH 7.4), 10 mM MgCl2, and 0.004% Triton X-100. The assay plates were centrifuged at 3220 g for 5 min using Centrifuge 5810 from Eppendorf (Hauppauge, NY) and then the absorbance changes were read at 340 nm at room temperature using Infinite M1000 from Tecan (Mannedorf, Switzerland) every 2 min for 8 hours.
11946	1	Mdm2-p53 Inhibition AlphaScreen Assay	This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 &#956;L of compound in 20% DMSO (serial pre-dilutions of compound are done in 100% DMSO) is pipetted to the wells of a white OptiPlate-96 (PerkinElmer). A mix consisting of 20 nM GST-MDM2 protein (aa 23-117) and 20 nM biotinylated p53 wt peptide (encompassing aa 16-27 of wt human p53, amino acid sequence QETFSDLWKLLP-Ttds-Lys-Biotin, molecular weight 2132.56 g/mol) is prepared in assay buffer (50 mM Tris/HCl pH 7.2; 120 mM NaCl; 0.1% bovine serum albumin (BSA); 5 mM dithiothreitol (DTT); 1 mM ethylenediaminetetraacetic acid (EDTA); 0.01% Tween 20). 30 &#956;L of the mix is added to the compound dilutions and incubated for 15 min at rt while gently shaking the plate at 300 rounds per minute (rpm). Subsequently, 15 &#956;L of premixed AlphaLISA Glutathione Acceptor Beads and AlphaScreen Streptavidin Donor Beads from PerkinElmer (in assay buffer at a concentration of 10 &#956;g/mL each) are added and the samples are incubated for 30 min at rt in the dark (shaking 300 rpm). Afterwards, the signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen protocol from PerkinElmer.Each plate contains negative controls where biotinylated p53-peptide and GST-MDM2 are left out and replaced by assay buffer. Negative control values are entered as low basis value when using the software GraphPad Prism for calculations.
11947	1	Inhibition of the Activity of ACC1	The ACC inhibitory activity of the compounds of the present invention was demonstrated by methods based on standard procedures. The direct inhibition of ACC1 for the compounds of the present invention was determined using preparations of recombinant human ACC1 (rhACC1) (SEQ ID NO. 1). Preparation of rhACC1: Two liters of SF9 cells, infected with recombinant baculovirus containing full length human ACC1 cDNA, were suspended in ice-cold lysis buffer (25 mM Tris, pH 7.5; 150 mM NaCl; 10% glycerol; 5 mM imidazole (EMD Bioscience; Gibbstown, NJ); 2 mM TCEP (BioVectra; Charlottetown, Canada); Benzonase nuclease (10000 U/100 g cell paste; Novagen; Madison, WI); EDTA-free protease inhibitor cocktail (1 tab/50 ml; Roche Diagnostics; Mannheim, Germany). Cells were lysed by 3 cycles of freeze-thaw and centrifuged at 40,000×g for 40 minutes (4° C.). Supernatant was directly loaded onto a HisTrap FF crude column (GE Healthcare; Piscataway, NJ) and eluted with an imidazole gradient up to 0.5 M over 20 column volumes (CV). ACC1-containing fractions were pooled and diluted 1:5 with 25 mM Tris, pH 7.5, 2 mM TCEP, 10% glycerol and direct loaded onto a CaptoQ (GE Healthcare) column and eluted with an NaCl gradient up to 1 M over 20 CV&#39;s. Phosphate groups were removed from purified ACC1 by incubation with lambda phosphatase (100 U/10 &#956;M target protein; New England Biolabs; Beverly, MA) for 14 hours at 4° C.; okadaic acid was added (1 &#956;M final concentration; Roche Diagnostics) to inhibit the phosphatase. Purified ACC1 was exchanged into 25 mM Tris, pH 7.5, 2 mM TCEP, 10% glycerol, 0.5 M NaCl by 6 hour dialysis at 4° C. Aliquots were prepared and frozen at &#8722;80° C.
11948	1	PDGFR&#946; HTRF Assay	Stock Solutions:Assay buffer stock solution, contains 50 mM Hepes, 10 mM MgCl2, 1 mM EGTA, and 0.01% Brij-35, 0.01% ovalbumin, 2 mM DTT at pH 7.5, in molecular biology grade water. Store at room temperature.DTT, 2 M in molecular biology grade water, store at &#8722;20° C. in aliquots.Ovalbumin, 10% or 100 mg/mL, prepare fresh on experimental day.PDGFR&#946;, 116 &#956;M (PDGFRb_08 Prep 02), produced at Accelagen. Store at &#8722;80° C. in aliquots.TK-biotin peptide, 0.5 &#956;M in molecular biology grade water, store at &#8722;20° C. in aliquots.ATP, 100 mM in molecular biology grade water, store at &#8722;20° C. in aliquots.HTRF KinEASE-TK kit: Allow the contents of the Cisbio kit to warm up to room temperature before use. This kit contains HTRF detection buffer, TK-Antibody labeled with Eu3+-cryptate, TK-substrate biotin and Streptavidin-XL665.TK Substrate-Biotin, reconstitute 500 &#956;g lyopholized with 574 &#956;L molecular biology grade water to prepare a 500 &#956;M stock; After use, aliquot the rest and store at &#8722;20° C.TK Antibody-Cryptate, reconstitute lyophilized with 1 mL of molecular biology grade water (100× solution) then add 99 mL detection buffer to prepare a ready to use TK-antibody-cryptate solution; the concentration of the TK-antibody-cryptate reagent is not known. After use, aliquot the rest and store at &#8722;20° C.Streptavidin-XL665, reconstitute 3 mg lyophilized with 3 mL molecular biology grade water to prepare a 1 mg/mL or 16.67 &#956;M stock; MW=60 kDa; After use, aliquot the rest and store at &#8722;20° C.
11948	2	PDGFR&#946; LanthaScreen Assay	Stock Solutions:Assay buffer stock contains 50 mM HEPES pH7.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA.Tb-labeled inactive PDGFR&#946;. 3.6 &#956;M in 50 mM HEPES, pH 7.4, 150 mM NaCl, 0.005% Tween-20 and 10% glycerol. Store at &#8722;80° C. in aliquots.Tracer 222, 50 &#956;M in DMSO, store at &#8722;20° C.Freshly Prepared Solutions:Assay buffer. Add DTT to 2 mM and ovalbumin to 0.1 mg/mL to Assay buffer stock.Kinase-Tracer solution. Make a working solution of 0.2 nM Tb-labeled inactive PDGFR&#946; and 40 nM Tracer 222 in Assay buffer. Keep on ice until use.Assay Procedure:Step 1. Dispensing inhibitors: Using Echo, dispense 40 nL/well (or less) compound serial dilutions in DMSO onto the assay plate.Step 2. Dispensing Kinase-Tracer solution: Add 4 &#956;L/well Kinase-Tracer solution. Seal the plate with optically transparent plate seal. Centrifuge at 1000 rpm for 1 min.Final concentrations of components in the assay:[Tb-PDGFR&#946;]=0.2 nM;[Tracer 222]=40 nM;[DMSO]&#8804;1%.Step 3. Detection: Read TR-FRET signals after 18 hours incubation at room temperature.
11948	3	VEGFR ADP GLO Assay	Assay Procedure:Step 1. Dispensing inhibitors/controls: Using Echo, dispense 10 nL/well compound serial dilutions in DMSO to columns 1-22 (in 384-well plates) or columns 1-44 (in 1536-well plates). Dilution series=11 pt, 3-fold dilutions. The top compound concentration in the source plate is 4 mM. The top compound concentration in the assay plate is 10 uM. Using Echo, dispense 10 nl/well DMSO to column 23 (in 384-well plates) or columns 45-47 (in 1536-well plates). These wells will serve as negative control wells Using Echo, dispense 10 nl/well 400 uM TAK-593 in DMSO to column 24 (in 384-well plates) or column 48 (in 1536-well plates). The final concentration of TAK-593 in the assay should be 1 uM. These wells will serve as positive control wells.Step 2. Pre-incubation of inhibitors with kinase: Add 2 &#956;L/well 2× kinase solution. Centrifuge at 1000 rpm for 1 min. Incubate at room temperature for 30 min.Step 3. Kinase cascade reaction: Add 2 &#956;L/well 2× substrate/ATP solution to initiate kinase reactions. Centrifuge at 1000 rpm for 1 min. Incubate at room temperature for 180 min.Final concentrations of components in the assay:[VEGFR2]=5 nM;[ATP]=1.2 mM;[Srctide]=1 mg/mL;[DMSO] G; 1%.Step 4. Quench: Add 2 uL/well ADP Glo Reagent+0.05% CHAPS. Centrifuge at 1000 rpm for 1 min; Incubate at room temperature for one hour.Step 5. Detection: Add 2 uL/well Kinase Detection Reagent+0.05% CHAPS. Centrifuge at 1000 rpm for 1 min; Incubate at room temperature for 1 hour; Read Luminescence on a plate reader.
11949	1	Inhibitory Activity Assay	Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384well plates are supplemented with 22.8 &#956;L/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 &#956;L of compound working dilutions are added and mixed. Plates are incubated for 3 hours at 4° C., then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 &#956;L/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 &#956;L/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
11950	1	Inhibitory Activity Assay	Human liver microsome solution prepared according to the following table (diluted with potassium phosphate solution) Protein con. of working Final protein con.  P450 subtype    solution (mg/ml)              (mg/ml) 1A2        0.133    0.10 2C9        0.0668 0.05 2C19     0.266    0.20 2D6        0.133    010 3A4        0.0668 0.05 3A4        0.133    0.10 150 uL 0.316 mg/mL human liver microsome working solution was added to each well of a 96-well deep plate, and 2 uL of 1 mM specific inhibitor or test compound solution was added to the corresponding wells, and then added to each well 50 uL preheated working solution of each substrate (in 4 mM NADPH solution). After incubating for 5-40 minutes respectively (different enzymes have different incubation times), 200 uL of pre-cooled reaction stop solution was added. All samples were centrifuged at 4000 rpm for 20 minutes. 150 uL of the centrifugal supernatant was then added to a new 96-well deep plate, and added to each well 150 uL of 0.1% formic acid aqueous solution, for analysis by LC/MS/MS (SCI AP4000).
11951	1	CD38 Enzyme Assay	The CD38 enzyme assay was performed as described previously (Becherer, J D, et al. J. Med. Chem. 2015, 58, 7021-7056). Briefly, 200 nL of a dose response titration of each test compound dissolved in 100% DMSO was spotted in clear polystyrene 384-well plate (Thermo #264704) using a Mosquito (TTP Labtech). A 10 &#956;L solution of 2 nM CD38 (BPS Biosciences #71227) suspended in 100 mM. HEPES ((4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH=7.5), 4 mM EDTA (2,2&#8242;,2&#8243;,2&#8242;&#8243;-(ethane-1,2-diyldinitrilo)tetraacetic acid) and 1 mM CHAPS (3-[(3-cholamidopropypdimethylammonio]-1-propanesulfonate) was incubated with test compound at 25° C. for 30 min. The enzyme reaction was initiated by adding 10 &#956;L of 400 &#956;M nicotinamide adenine dinucleotide (NAD+), 1000 &#956;M (E)-2-(2-(pyridin-4-ylmethylene)hydrazineyl)pyridine in buffer containing 5 mM sodium acetate (pH=5.2) and 1 mM CHAPS. The reactions were incubated at 25° C. and the absorbance at 405 nm was measured after 60 minutes on an Envision plate reader (Perkin Elmer).
11952	1	TBD	TBD
11953	1	DPP4 activity assay	Human DPP4 activity assay data were obtained using a DPP4 Activity Assay Kit (Sigma-Aldrich, MAK088) according to the manufacturer&#39;s instructions. Briefly, 10 &#956;L of DPP4 Assay Buffer was transferred per well in low volume 384-well plates before transferring 10 &#956;L of diluted compound dissolved in DPP4 assay buffer. 5 &#956;L of Master Reaction Mix containing a fluorescent substrate that becomes fluorescent upon cleavage by the enzyme. Fluorescence intensity measurements were recorded at 1-minute time intervals over the course of 20 minutes using an Envision Multimode Plate Reader (PerkinElmer).
11954	1	Enzyme-Linked Immunosorbent Assay ELISA	96 Well plates were coated with 1 &#956;g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W/V) with 0.05% TWEEN-20 for 1 hour at 37° C. The plates were washed 3 times with PBS/0.05% TWEEN-20 and the compounds were serial diluted (1:5) in dilution medium and added to the ELISA plates. Human PD-1 and biotin 0.3 &#956;g/mL (ACRO Biosystems) were added and incubated for 1 hour at 37° C. then washed 3 times with PBS/0.05% TWEEN-20. A second block was performed with 2% BSA in PBS (W/V)/0.05% TWEEN-20 for 10 min at 37° C. and the plates were washed 3 times with PBS/0.05% TWEEN-20. Streptavidin-HRP was added for 1 hour at 37° C. then the plates were washed 3 times with PBS/0.05% TWEEN-20. TMB substrate was added and reacted for 20 min at 37° C. A stop solution (2 N aqueous H2SO4) was added. The absorbance was read at 450 nm using a micro-plate spectrophotometer. 
11955	1	Inhibitory Assay	Experimental results: The compounds had no obvious inhibitory effect on the drug transporter OAT3, and when the compounds were used clinically in combination with other drugs, there was almost no possibility of drug-drug interactions caused by OAT3 (superior to positive drug probenecid). The compounds and the positive drug probenecid had a certain inhibitory effect on the drug transporters OAT1 and OAT4, and when the compounds were used clinically in combination with other drugs, there was the possibility of drug-drug interactions caused by OAT1 and OAT4, but the inhibitory effect of the compounds was weaker than that of the positive drug probenecid, so the clinical safety risk was lower.
11956	1	Biochemical Assay for uKIT	Activity of c-KIT kinase (SEQ. ID NO. 1 or SEQ. ID NO. 2) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al. Science (2000) 289: 1938-1942). Assays were conducted in 384-well plates (100 &#956;L final volume) using 16 nM (Decode, SEQ ID No. 1) or 4.36 nM (Signal Chem, SEQ. ID No. 2), 0.7 mg/mL PE4Y substrate, 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of KIT was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2-3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated using software routines in Prism (GraphPad software).
11957	1	ALPK1 In Vitro Kinase Assay	In brief, dose-response studies were performed with HEK293 cells cultured in Dulbecco&#39;s Modified Eagle Medium (DMEM) supplemented 10% fetal bovine serum (FBS, Hyclone) containing antibiotics (pen/strep, G418) in 384-well assay plates. Each well contained 0.1 mg TIFA, ALPK1 (2 nM final concentration in reaction mixture) and kinase buffer (100 mM of HEPES pH 7.4, 4 mM DTT, 40 mM MgCl2, 20 mM of &#946;-Glycerol phosphate disodium salt, 0.4 mM of Na3VO4, 0.16 mg/mL). Titrations of the test compounds were prepared in dimethylsulphoxide (DMSO). The reaction was initiated by addition of ATP and ADP-Heptose.For HTRF, samples were incubated with a Tb cryptate-labeled anti-HA antibody for capturing HA-tagged proteins according to the manufacturer&#39;s instructions (PerkinElmer, CisBio) and the fluorescence signal was quantified (Tecan Infinite F NANO+). HTRF signals were calculated as the HTRF ratio (ratio of fluorescence measured at 665 nm and 620 nm)×104 (thereby using the signal at 620 nm as an internal standard).All compounds exhibited a dose-dependent decrease in TIFA phosphorylation in this assay. IC50 values were determined using 3- or 4-parameter logistic equation using GraphPad Prism version 6.00.
11958	1	JAK2 Binding Assay	JAK2 (JH1 domain-catalytic, Y1007F, Y1008F) kinase was expressed as N-terminal fusion to the DNA binding domain of NFkB in transiently transfected HEK293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mmol/L DTT) to remove unbound ligand and to reduce nonspecific phage binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (1× PBS, 0.05% Tween 20, 0.1% BSA, 1 mmol/L DTT). Test compound was prepared as 111× stocks in 100% DMSO and directly diluted into the assay wells. All reactions were performed in polypropylene 384-well plates in a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1× PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1× PBS, 0.05% Tween 20, 0.5 &#956;mol/L non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluate was measured by qPCR.
11959	1	Methods for Evaluating TAK1 Modulators	Accordingly, the present disclosure is directed to the use of these compounds in the preparation and execution of screening assays for compounds which modulate the function of the TAK1 (and/or an IRAK, such as IRAK4). For example, the compounds of this disclosure can be useful for isolating receptor mutants, which are established screening tools for potent compounds. Furthermore, the compounds of this disclosure can be useful in establishing or determining of protein binding sites, geometry of potential binding pockets, as well as the binding site of other compounds to TAK1, e.g., by competitive inhibition. The compounds of the instant disclosure can also be useful for the evaluation of putative specific modulators of TAK1.
11960	1	Enzymatic Activity of Human Glutaminyl Cyclase In Vitro	During studies of the effect of Compounds I-X, which are the object of the present invention, on the enzymatic activity of glutaminyl cyclase in vitro, the direct inhibitory effect of Compounds I-X on recombinant intracellular human glutaminyl cyclase first has been found. The glutaminyl cyclase activity at various concentrations of Compounds I-X has been studied at 25 C. with the use of a fluorescent substrate L-glutaminyl 2-naphthyl amide (Gln-bNA) (Anal Biochem. 2002 Apr. 1; 303(1):49-56). The reaction mixture having a volume of 100-&#956;l has contained 50 &#956;M of fluorogenic substrate; 0.2 units of human pyroglutaminyl aminopeptidase (1 unit is defined as an amount hydrolyzing 1 micromole of pGlu-bNA per minute), and an aliquot of the recombinant intracellular human glutaminyl cyclase (gQC) in 50 mM trisaminomethane-HCl and 5% glycerol, a pH is 8.0. The reaction was initiated by adding to the reaction mixture an aliquot of glutaminyl cyclase incubated with Compounds I-X for 5 minutes.
11961	1	Human STING WT Binding Assay	Cisbio Bioassays&#39; human STING WT binding assay (#64BDSTGPEG & 64BDSTGPEH, Cisbio) is for quantitative measurement of human STING WT ligand using HTRF technology.1. Adding CompoundsNegative control: Dispense 5 &#956;L of diluent into each negative control well. Standard: Dispense 5 &#956;L of each Human STING WT Standard 2&#8242;3&#8242;-cGAMP (Std 0-Std 7) into each standard well. Compound: Dispense 5 &#956;L of compound into each compound well.2. Adding ProteinsNegative control: Add 5 &#956;L of detection buffer to all wells. Other wells: Add 5 &#956;L of human STING WT protein 6His-tagged protein to all wells.3. Adding AntibodiesAdd 10 &#956;L of premixed STING WT ligand d2 reagent and 6His Tb antibody working solution to all wells.4. RT IncubationSeal the plate and incubate 3 hours at RT or at Over Night if necessary.5. Reading PlateRemove the plate sealer and read on an HTRF compatible reader (PerkinElmer, USA). Results were analyzed with a two-wavelength signal ratio: intensity (665 nm)/intensity (620 nm).6. Curve FittingCalculate HTRF Ratio:Ratio=Signal&#8290;665&#8290;nmSignal&#8290;620&#8290;nm 104
11962	1	Wip1 Length and Wip1(2-420) Phosphatase Enzyme FDP Assays	Test compounds (252 mM stock in DMSO) were diluted 3 folds in series in DMSO and 1.2 &#956;l per well were added into 384-well polypropylene black plates (Nunc). Twelve &#956;l per well of Assay Buffer (100 mM NaCl, 50 mM MOPS, pH 7.5, 0.8 mM CHAPS, 0.1 mM EGTA, 30 mM MgCl2, 0.3 mM TCEP, 0.2 mg/mL BSA) was added followed by 12 ml per well of 50.4 nM recombinant His-tag Wip1 full length protein (amino acids #1-605) or recombinant His-tag Wip1(2-420) protein (amino acids #2-420) in Assay Buffer and the plate was incubated at RT (22° C.) for 5 min. Ten mM of fluorescein diphosphate (FDP) in DMSO was diluted to 40 mM in Assay Buffer and 5 ml per well was added to the plate and incubated at RT (22° C.) for 2 hours. Four ml per well of 64.1 mM EDTA in water were added to stop the enzyme reaction. The plate was centrifuged at 1,200 rpm (Eppendorf 5810R Plate centrifuge) for 1 minute and fluorescence intensity (Ex485/Em535) was measured on Perkin Elmer Victor Reader. EC50 values were calculated using either Prism (GraphPad) or ActivityBase software (IDBS).
11963	1	Biochemical Assay	A cell free coactivator recruitment assay was developed for FXR, to measure the functional potency of novel FXR compounds. In this assay, novel FXR compounds were bound to the ligand binding domain (LBD) of recombinant human FXR. The ability of this liganded homodimeric complex to recruit the co-activator protein steroid receptor coactivator 1 (SRC-1) was measured using Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET). The LBD of human FXR (amino acids 244-476) was cloned into an expression vector for protein expression in SF9 insect cells. Purified FXR LBD was incubated in TR-FRET coregulator buffer G (Eurofins) with test compounds (0-10 micromolar) and a labeled nuclear receptor interaction domain of SRC-1 at 25° C. for 60 minutes (final DMSO vehicle concentration was 1.2%). Assays were analyzed using an Envision TR-FRET reader (PerkinElmer Life and Analytical Sciences). Compound activity at each concentration was defined as a percentage of the maximal activity of the natural FXR ligand agonist chenodeoxycholic acid (CDCA) generating a dose response curve. 
11964	1	In vitro Evaluation of Kinase Activity Assay	Experimental Method2.1. Preparation of reaction buffer and reaction stop solution: the composition of 1× reaction buffer was 10 mM Tris-HCl, pH 8.0; 0.01% Tween-20; and 1 mM DTT. The composition of the reaction stop solution was 125 &#956;M 3H-SAM solution.2.2 Formulation of Compounds2.2.1 Dilution of CompoundsThe compounds were dissolved in 100% DMSO to prepare 10 mM stock solutions and then diluted to desired concentrations on an Echo 384 well plate.2.2.2 Transfer of Compounds to 384 Well Reaction Plate250 nL of the compounds diluted above were transferred from the Echo 384 well plate to a 384 well reaction plate using the Echo550 instrument.2.3 Enzymatic Reaction2.3.1 Preparation of 1.67× Enzyme SolutionPRMT5 was added to 1× reaction buffer to form 1.67× enzyme solution.2.3.2 Preparation of 2.5× Substrate SolutionThe polypeptide substrate and [3H]-SAM were added to 1× reaction buffer to form 2.5× substrate solution (the final concentrations were 100 nM and 250 nM, respectively).2.3.3 Addition of Enzyme Solution to 384 Well Plate15 &#956;L of 1.67× enzyme solution was added to the wells of a 384 well reaction plate. For control wells without enzymatic activity, the enzyme solution was replaced with 15 &#956;L of 1× reaction buffer. The plate was centrifuged at 1000 rpm for 1 min and incubated at room temperature for 15 min.2.3.4 Addition of Substrate Solution to 384 Well Plate to Initiate Enzymatic Reaction 10 &#956;L of 2.5× substrate solution was added to each well of the 384 well reaction plate. The plate was centrifuged at 1000 rpm for 1 min. The reaction was carried out at 25° C. for 60 min.
11965	1	Biochemical Assay	The 2-hour 1 mM ATP Biochemical Assay employed a MesoScale Detection (MSD) format. The kinase reaction was based on the IRAK4 phosphorylation of a biotin labeled peptide (IRAK1 activation loop sequence 360-389).The kinase reaction in 30 &#956;l was carried out in wells of a 384 well polypropylene assay plate, with 0.1 nM IRAK4, 1.6 &#956;M of biotinylated peptide substrate and 1 mM ATP in 50 mM Hepes, pH 7.5, 60 mM NaCl, 5 mM MgCl2, 0.25 mM MnCl2, 2 mM DTT, 0.01% BSA, 0.01% BSA, and 1% DMSO (from compound DMSO stocks), for 2 hour at room temperature. The activity was quenched with 11 &#956;l of 70 mM EDTA, pH 8.To detect the phosphorylated biotinylated peptide substrate, 30 &#956;l of the quenched reaction mixture was added to equivalent wells of a 384 well streptavidin coated MesoScale plate (Meso Scale Discovery #L21SA-1). After a 1 hour incubation of the plate for 1 hour at room temperature with gentle mixing, the plate wells were washed 3 times with 50 mM Tris, pH 7.5, 150 mM NaCl, 0.02% Tween-20.A 25 &#956;l volume of 1:500 anti-P-Threonine Rabbit polyclonal Antibody plus 1:500 Goat-anti-Rabbit Sulfo Tag Antibody (Meso Scale Discovery R32AB-1) in 50 mM Tris, pH 7.5, 150 mM NaCl, 0.02% Tween-20 plus 2% BSA was then added to each well. After a 1-hour incubation of the plate for 1 hour at room temperature with gentle mixing, the plate wells were washed, 3 times with 50 mM Tris, pH 7.5, 150 mM NaCl, 0.02% Tween-20. A 40 &#956;l volume of 2×MSD Read Buffer (Meso Scale Discovery R92TC-1) was added to each well, and the plate was read immediately in an MSD Plate Reader (Meso Scale Discovery).
11966	1	TEAD4 FRET Assay	Compound IC50 values were assessed following a 10-point, half-log10 dilution schema starting at 100 &#956;M compound concentration. Specifically, human TEAD protein from TEAD4(217-434) was cloned into an overexpression vector, expressed as an N-terminal HIS-TEV-Avi-tagged fusion protein in E coli, and subsequently purified, then protein was chemically depalmitoylated & biotinylated. The assay was performed in 384-well LV plates (384-well black, medium binding, PS, HIBASE, GREINER #784076) and run in the presence and absence of the compound of interest. Each well of 5 &#956;L assay mixture contained 10 mM Tris-HCl (pH 7.5), 100 mM NaCl, 0.05 mM EDTA, 1 mM TECP, 1% DMSO, 0.03% Pluronic acid F127, 20 nM dePal Avi TEAD4 (217-434)-depalmitoylated & biotinylated protein, 0.8 nM Streptavidin Terbium cryptate (CisBio #610SATLB), 625 nM FAM labelled Probe A. Reactions were incubated at 25° C. for 120 min before reading on a PHERASTAR FSX Plate Reader (337 520 490 HTRF module required) (Supplier BMP).
11967	1	Cov Mpro Biochemical IC50 Assay	This biochemical assay measured small molecule inhibitor IC50 values against recombinant SARS-CoV-2 Main protease (Mpro). Compounds from 100 &#956;M to 5 nM in 3 fold dilutions were prepared and pre-incubated for 20 minutes while mixing at room temperature with 2 Mpro. The final Mpro concentration was 7.5 nM with the fluorogenic peptide substrate (DABCYL-KTSAVLQ/SGFRKME-EDANS) at its Km value of 40 &#956;M in a reaction volume of 40 &#956;M, Product formation was quantitated in kinetic mode every 2.5 minutes for 8 cycles by monitoring fluorescence at EX/EM wavelength of 340/460. Rates of reaction (slope with background subtracted) from inhibitor wells were normalized to DMSO wells and then curve fitted for IC50 using the PRISM algorithm: log(inhibitor) vs. normalized response Variable slope The IC50 value for each compound was defined as the concentration reducing enzyme activity by 50%.
11968	1	Enzymatic Activity Assay	The enzymatic activity of compounds of the present invention was monitored measuring the formation of ADP using the ADP-GLO Kinases assay. Following the incubation of the purified enzyme, a substrate and ATP, the produced ADP was converted into ATP, which in turn was converted into light by Ultra-Glo Luciferase. The luminescent signal positively correlated with ADP amount and kinase activity. Briefly, the kinase reaction was performed by incubating 2.6 nM of the purified, commercially available human ALK5 (recombinant TGF &#946;1 N-term GST-tagged, 80-end), a final concentration of TGF&#946;1 peptide 94.5 &#956;M (Promega, T36-58) and ultra-pure ATP (Promega V915B). The ATP concentration was set at the Km value (concentration of substrate which permits the enzyme to achieve half maximal velocity (Vmax)) of ALK5 (5 &#956;M). All reactions/incubations were performed at 25° C. Compound and ALK5 kinase were mixed and incubated for 15 mins. Reactions were initiated by addition of ATP at a final concentration in the assay of 0.83 &#956;M. After an incubation of 150 min, the reaction was stopped, and ADP production detected with ADP-Glo kit according to manufacturer&#39;s indications. The assay was performed in 384-well format and was validated using a selection of reference compounds that was tested in 11 point concentration-response curve.
11969	1	In Vitro Assay	The enzymatic activity of compounds of the present invention was monitored measuring the formation of ADP using the ADP-GLO Kinases assay. Following the incubation of the purified enzyme, a substrate and ATP, the produced ADP was converted into ATP, which in turn was converted into light by Ultra-Glo Luciferase. The luminescent signal positively correlated with ADP amount and kinase activity. Briefly, the kinase reaction was performed by incubating 2.6 nM of the purified, commercially available human ALK5 (recombinant TGF 31 N-term GST-tagged, 80-end), a final concentration of TGF&#946;1 peptide 94.5 &#956;M (Promega, T36-58) and ultra-pure ATP (Promega V915B). The ATP concentration was set at the Km value (concentration of substrate which permits the enzyme to achieve half maximal velocity (Vmax)) of ALK5 (5 &#956;M). All reactions/incubations were performed at 25° C. Compound and ALK5 kinase were mixed and incubated for 15 mins. Reactions were initiated by addition of ATP at a final concentration in the assay of 0.83p M. After an incubation of 150 min, the reaction was stopped, and ADP production detected with ADP-Glo kit according to manufacturer&#39;s indications. The assay was performed in 384-well format and was validated using a selection of reference compounds that was tested in 11 point concentration-response curve.
11970	1	Surface Plasmon Resonance (SPR)	(1) Screening of Macrolide and Cyclic Peptide Drugs by Taking SelH as a TargetA surface plasmon resonance (SPR) method was adopted to detect the interaction condition of a small molecule and a protein, so that the screening of drugs targeting SelH was carried out.1. Protein ImmobilizationPurified SelH was diluted into a 50 &#956;g/mL protein solution by using 10 mM sodium acetate with a pH value of 5.5, the purified SelH was fixed onto a CM5 chip by an amino coupling method by using Biacore 8K (GE Healthcard, Sweden), and an RU value was recorded.2. Sample PreparationThe macrolide compound or cyclic peptide compound (the compounds specifically include carrimycin, isovalerylspiramycin I, spiramycin, carbomycin, azithromycin, erythromycin and thiostrepton) was dissolved in 100% DMSO to be prepared into solutions containing 5% DMSO of different concentrations (0, 31.25, 62.5, 125, 250 and 500 &#956;M) by using a 1.05×PBS-P+ buffer solution (GE Healthcare, obtained by diluting 10×PBS-P+).3. Binding ExperimentA single-cycle kinetics method was adopted, the 1.05×PBS-P+ buffer solution containing 5% DMSO was used as a Running Buffer, different compounds of different concentrations flowed through the SelH fixed onto the chip, wherein the binding time was 120 s, and the change condition of the RU value was recorded. An equilibrium dissociation constant (KD) was calculated by using software in Biacore 8K so as to evaluate the binding affinity between the protein and the compounds.
11971	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
11972	1	Enzymatic Assay	The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of the enzyme to cleave the peptide bond of arginyl-aminomethylcoumarin (Arg-AMC). LTA4H Enzyme (1 nM final), Arg-AMC substrate (50 M final), and compound are combined in a reaction buffer (50 mM Tris-HCl (pH 7.5), 100 mM KCl, 0.5% bovine serum albumin) at room temperature for 1 h. The formation of product is assessed by measuring the fluorescence of aminomethylcoumarin product (excitation wavelength 380 nm/emission wavelength 460 nm). In general, the preferred potency range (IC50) of compounds in the LTA4H Enzyme assay is between 0.1 nM to 10 M, the more preferred potency range is 0.1 nM to 0.1 M, and the most preferred potency range is 0.1 nM to 10 nM.
11973	1	HSD17B13 Enzymatic Blocking Assay  (50nM)	Compounds of the disclosure were screened for their ability to block HSD17B13 function using an enzymatic blocking assay. HSD17B13 activity was quantified using a NADH Glo luminescence assay (Promega, #Cat. No. G9062) to measure the formation of NADH from the oxidation of LTB4, a known HSD17B13 substrate. Compounds were over a 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B13 (SEQ ID NO: 1, expressed in E. coli) was added at either a final concentration of 50 nM, depending on the assay run, in a buffer containing 0.2M Tris-HCl pH 7.5 containing 0.01% Triton-X into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 30 minutes at room temperature. The assay reaction was then initiated by addition of 10 &#956;M LTB4 substrate (Cayman chemicals, Cat. No. 20110) and 500 &#956;M NAD, and the reaction mixture was incubated for 1 or 2 hours at room temperature depending on the assay run. DMSO at a concentration of 0.5% was used as a negative control, and a &#145;no substrate&#146; control was used as a positive control (100% inhibition) in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature. Generation of NADH was detected in the luminescence mode on the Envision Perkin Elmer plate reader. The IC50 values were determined using Dotmatics analysis software.
11973	2	HSD17B13 Enzymatic Blocking Assay  (150nM)	Compounds of the disclosure were screened for their ability to block HSD17B13 function using an enzymatic blocking assay. HSD17B13 activity was quantified using a NADH Glo luminescence assay (Promega, #Cat. No. G9062) to measure the formation of NADH from the oxidation of LTB4, a known HSD17B13 substrate. Compounds were over a 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B13 (SEQ ID NO: 1, expressed in E. coli) was added at either a final concentration of 150 nM, depending on the assay run, in a buffer containing 0.2M Tris-HCl pH 7.5 containing 0.01% Triton-X into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 30 minutes at room temperature. The assay reaction was then initiated by addition of 10 &#956;M LTB4 substrate (Cayman chemicals, Cat. No. 20110) and 500 &#956;M NAD, and the reaction mixture was incubated for 1 or 2 hours at room temperature depending on the assay run. DMSO at a concentration of 0.5% was used as a negative control, and a &#145;no substrate&#146; control was used as a positive control (100% inhibition) in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature. Generation of NADH was detected in the luminescence mode on the Envision Perkin Elmer plate reader. The IC50 values were determined using Dotmatics analysis software.
11973	3	HSD17B1 Enzymatic Blocking Assay	To screen compounds of the disclosure for their ability to block HSD17B1 function, an enzymatic blocking assay was performed. For the assay, HSD17B1 activity was measured by detecting NADH formation from oxidation of Estradiol using a NADH Glo luminescence assay (Promega, #Cat. No. G9062). Compounds of the disclosure were evaluated in a dose titration assay where the compounds were titrated at 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B1 (SEQ ID NO: 2, expressed in mammalian cells) was added at a final concentration of 25 ng/well in a buffer containing 0.2M Tris-HCl, pH 7.5, into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 30 minutes at room temperature. The assay reaction was then initiated by addition of 25 &#956;M Estradiol substrate (Sigma, catalog #E2758-250MG, CAS: 50-28-2) and 500 &#956;M NAD co-factor, and the reaction mixture was incubated for 3 hours at room temperature. DMSO at a concentration of 0.5% was used as a negative control and a &#145;no substrate&#146; control was used a positive control in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature, NADH generated was detected in the luminescence mode on the Envision Perkin Elmer plate reader. The IC50 values were determined using Dotmatics analysis software.
11973	4	HSD17B2 Enzymatic Blocking Assay	To screen compounds of the disclosure for their ability to block HSD17B2 function, an enzymatic blocking assay was performed. For the assay, HSD17B2 activity was measured by detecting NADH formation from oxidation of Estradiol using a NADH Glo luminescence assay (Promega, #Cat. No. G9062). Compounds of the disclosure were evaluated in a dose titration assay where the compounds were titrated at 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B2 (SEQ ID NO: 3, expressed in mammalian cells) was added at a final concentration of 2 ng/&#956;L in a buffer containing 50 mM Tris-HCl, pH 7.5, Pluronic F-127 0.05%, Tween20 0.01%, BSA 0.01% into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 15 min at 20° C. The assay reaction was then initiated by addition of 1.8 &#956;M Estradiol substrate (Sigma, catalog #E2758-250MG, CAS: 50-28-2) and 650 &#956;M NAD co-factor, and the reaction mixture was incubated for 45 min at 20° C. DMSO at a concentration of 0.5% was used as a negative control and a &#145;no substrate&#146; control was used a positive control in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature, NADH generated was detected in the luminescence mode on the Envision Perkin Elmer plate reader.
11973	5	HSD17B4 Enzymatic Blocking Assay	To screen compounds of the disclosure for their ability to block HSD17B4 function, an enzymatic blocking assay was performed. For the assay, HSD17B4 activity was measured by detecting NADH formation from oxidation of Estradiol using a NADH Glo luminescence assay (Promega, #Cat. No. G9062). Compounds of the disclosure were evaluated in a dose titration assay where the compounds were titrated at 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B4 (SEQ ID NO: 4, expressed in mammalian cells) was added at a final concentration of 2.5 ng/&#956;L in a buffer containing 50 mM Tris-HCl, pH 7.5, Pluronic F-127 0.05%, Tween20 0.01%, BSA 0.01%, into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 15 min at 20° C. The assay reaction was then initiated by addition of 23.46 &#956;M Estradiol substrate (Sigma, catalog #E2758-250MG, CAS: 50-28-2) and 1500 &#956;M NAD co-factor, and the reaction mixture was incubated for 45 min at 20° C. DMSO at a concentration of 0.5% was used as a negative control and a &#145;no substrate&#146; control was used a positive control in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature, NADH generated was detected in the luminescence mode on the Envision Perkin Elmer plate reader. 
11973	6	HSD10B1 Enzymatic Blocking Assay	To screen compounds of the disclosure for their ability to block HSD17B10 function, an enzymatic blocking assay was performed. For the assay, HSD17B10 activity was measured by detecting NADH formation from oxidation of Estradiol using a NADH Glo luminescence assay (Promega, #Cat. No. G9062). Compounds of the disclosure were evaluated in a dose titration assay where the compounds were titrated at 10-point dose curve using an Echo-555 liquid handling dispenser. HSD17B10 (Seq. ID NO: 5, expressed in mammalian cells) was added at a final concentration of 31.25 ng/well in a buffer containing 0.2M Tris-HCl, pH 7.5, into a low volume white 384-well assay plate. Compounds were incubated with the enzyme for 30 minutes at room temperature. The assay reaction was then initiated by addition of 25 &#956;M Estradiol substrate (Sigma, catalog #E2758-250MG, CAS: 50-28-2) and 500 &#956;M NAD co-factor, and the reaction mixture was incubated for 3 hours at room temperature. DMSO at a concentration of 0.5% was used as a negative control and a no substrate control was used a positive control in the assay. Detection reagent was then added as per manufacturer&#39;s instructions, and the plate was subsequently incubated in the dark for 1 hour at room temperature, NADH generated was detected in the luminescence mode on the Envision Perkin Elmer plate reader. The IC50 values were determined using Dotmatics analysis software.
11974	1	IRAK4 Kinase Activity Assay	The compounds were prepared with DMSO to 100 times the final reaction concentration and diluted to 10 concentrations in sequence at a 3-fold dilution ratio starting from 1 &#956;M. Then 0.25 &#956;L was transferred to a 384-well plate using Echo550. A 1× kinase buffer (50 mM HEPES, pH=7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT) was used to prepare a kinase solution of 2.5 times the final concentration. Then 10 &#956;L of the kinase solution of 2.5 times the final concentration was added to each compound well, shaken and mixed uniformly, and incubated at room temperature for 10 min. A 1× kinase buffer was used to prepare a mixed solution of ATP and substrate Kinase Substrate 8 with a concentration of 25/15 times the final concentration. 15 &#956;L of the mixed solution of ATP and the substrate with a concentration of 25/15 times the final concentration were added to each well (the final concentration of IRAK4 kinase was 1 nM, the final concentration of the substrate was 3 &#956;M, and the final concentration of ATP was 15.6 &#956;M), shaken and mixed uniformly, and reacted at room temperature for 60 min. Finally, 30 &#956;L of stopping solution (100 mM HEPES, pH=7.5, 0.0015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA) was added to terminate the reaction. CaliperEZ Reader II was used to read data about conversion rates that was then converted into data about inhibition rates.
11975	1	BRG1 ATPase Inhibition Activity	All subsequent reagent additions were performed using a MultiFlo FX Multi-Mode Dispenser. Assay buffer was 20 mM HEPES pH 7.5, 1 mM MgCl2, 20 mM KCl, 1 mM DTT, 0.01% BSA, 0.005% Tween 20. 4 &#956;L of 7.5 nM Brg1 ATPase-SnAC in assay buffer was added to the assay plate and incubated at RT for 5 min with compound. 2 &#956;L of 195 &#956;M ATP and 6 nM pCMV-dR8.91 plasmid in assay buffer was added to assay plate to initiate the reaction. The final concentrations of reagents were 5 nM Brg1 ATPase-SnAC, 65 &#956;M ATP, and 2 nM pCMV-dR8.91 plasmid. The ATPase reaction was incubated at RT for 60 min. 3 &#956;L of ADP-Glo reagent was added to stop the reaction and was incubated for 30 min at RT. 3 &#956;L of Kinase detection reagent was added to the assay plate which was incubated for 90 min at RT. Plates were read with a 2103 Multilabel Envision reader using ultrasensitive luminescence detection. 
11975	2	BRM ATPase Inhibition Assay	Compound inhibition of ATPase activity of Brm ATPase-SnAC (636-1331) was measured by using the ADP-Glo assay kit from Promega (V6930). 120 nL of compound in 100% DMSO were transferred to a white 384 well microtiter assay plate using an ATS Acoustic Transfer System from EDC Biosystems. All subsequent reagent additions were performed using a MultiFlo FX Multi-Mode Dispenser. Assay buffer was 20 mM HEPES pH 7.5, 1 mM MgCl2, 20 mM KCl, 1 mM DTT, 0.01% BSA, 0.005% Tween 20. 4 &#956;L of 7.5 nM Brm ATPase-SnAC in assay buffer was added to the assay plate and incubated at RT for 5 min with compound. 2 &#956;L of 255 &#956;M ATP and 6 nM pCMV-dR8.91 plasmid in assay buffer was added to assay plate to initiate the reaction. The final concentrations of reagents were 5 nM BRM ATPase-SnAC, 85 &#956;M ATP, and 2 nM pCMV-dR8.91 plasmid. The ATPase reaction was incubated at RT for 60 min. 3 &#956;L of ADP-Glo reagent was added to stop the reaction and was incubated for 30 min at RT. 3 &#956;L of Kinase detection reagent was added to the assay plate which was incubated for 90 min at RT. Plates were read with a 2103 Multilabel Envision reader using ultrasensitive luminescence detection. 
11976	1	LRRK2 Wild-Type and G2019S Kinase Activity Assay	In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase in kinase reaction buffer was incubated with the test compound (typically at 0 to 30 &#956;M) for 30 minutes before the kinase reaction was initiated by addition of 1.3 mM ATP and 0.4 &#956;M fluorescein-LRRKtide. The reaction mixture (20 &#956;l total volume) was incubated for 3.5 h (for LRRK2 WT) and 3 h (for LRRK2 G2019S) at 30° C., before the reaction was terminated by addition of 10 mM EDTA and 1 nM terbium-labelled anti-phospho-LRRKtide antibody (final volume 20 l). The mixture was further incubated for 30 minutes at RT. TR-FRET was measured by excitation of the terbium-donor with 340 nm light and subsequent (delay time 100 s) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a time window of 1000 s. The measurement was repeated 30 times for fluorescein and 30 times for terbium emission with a 1000 s time window between repeats. TR-FRET measurements were performed on a Biotek Synergy plate. The TR-FRET signal was calculated as the emission-ratio at 520 nm over 495 nm.
11976	2	LRRK2 Wild-Type ADP-Glo Protocol	In the assay, 0.5 nM LRRK2 WT kinase in kinase reaction buffer was incubated with the test compound (typically at 0 to 2 &#956;M) for 30 minutes before the kinase reaction was initiated by addition of 1.0 mM ATP and 260 &#956;M LRRKtide. The reaction mixture (10 &#956;l total volume) was incubated for 3 hours at room temperature (RT, ca. 25° C.), before the reaction was terminated by addition of 10 &#956;l ADP-Glo reagent. The mixture was further incubated for 60 minutes at RT before addition of 20 &#956;l Kinase detection reagent from the ADP-Glo assay kit. Luminescence signal was measure on a BMG Labtech Pherastar FSX multimode microplate reader. The signal integration time was 0.5 s.
11977	1	Inhibition of Glutaminyl Cyclases	For inhibitor testing, the sample composition was the same as described above, except for the addition of the putative inhibitory compound. This resulted in presence of 1% or 2% (v/v) DMSO in reaction mixture. Inhibitory constants were determined using different concentration of H-Gln-AMC varying from Km-2 Km. Final concentration of bacterial QC was in a range between 25 nM-50 nM. The inhibitory constant was evaluated by fitting the set of progress curves to the general equation for competitive inhibition using GraFit software (Version 7, Erithacus software Ltd., Horley, UK).
11978	1	RPE65 Retinoid Isomerase Activity Assay	Primary amine listed in Table 2 in DMF (1 &#956;L) was added into a suspension containing 300 &#956;g of RPE microsomal proteins, 1% bovine serum albumin (BSA), 2 mM disodium pyrophosphate, and 25 &#956;M human apo-cellular retinaldehyde-binding protein (CRALBP) in 10 mM BTP buffer (200 &#956;L) to a final concentration from 0 to 2 &#956;M. After incubation at room temperature for 5 min, the resulting mixture was mixed with half microliter of all-trans-retinol (5 mM) in DMF, and then incubated at 37° C. for 1 h. The reaction was quenched by adding 400 &#956;L of methanol (Fisher Chemical, Fair Lawn, NJ), and the products were extracted with 400 &#956;L of hexanes. Production of 11-cis-retinol was quantified by normal phase HPLC using a Zorbax Rx-SIL column (5 &#956;m, 4.6×250 mm, Agilent, Santa Clara, CA) with 10% (v/v) ethyl acetate in hexanes as the eluent at a flow rate of 1.4 mL-min&#8722;1. Retinoids were detected by monitoring their absorbance at 325 nm and quantified based on a standard curve representing the relationship between the amount of 11-cis-retinol and the area under the corresponding chromatographic peak.
11979	1	HAT Activity Inhibiting Assay	SensoLyte HAT (p300) Assay Kit (ANASPEC, AS-72172) was used to assess the HAT activity inhibiting capability of a HAT inhibitor. Specifically, 10 &#956;L of compounds 1 to 6 and 14 to 19 diluted with an assay buffer was added to 10 &#956;L of a recombinant p300 solution diluted 10-fold with an assay buffer, and the solution was incubated for 10 minutes at room temperature. 10 &#956;L of acetyl-CoA solution diluted 10-fold with an assay buffer and 20 &#956;L of histone H3 peptide diluted 10-fold with an assay buffer were added thereto, and the mixture was incubated for 30 minutes at 37° C. 50 &#956;L of Stop Solution was added to quench the reaction. 100 &#956;L of p300 Developer solution diluted 50-fold with an assay buffer was added, and the mixture was incubated for 30 minutes at room temperature under shaded conditions. 513 nm fluorescence when irradiated with 389 nm excitation light was measured using a multiplate reader. 
11980	1	Spectrophotometric Assay	The inhibitory activity of compounds is determined in competitive binding assays. This spectrophotometric assay measures the binding of biotinylated human Gal-3 (hGal-3) or human Gal-1 (hGal-1), respectively, to a microplate-adsorbed glycoprotein, asialofetuin (ASF) (Proc Natl Acad Sci USA. 2013 Mar 26;110(13):5052-7.). Alternatively, and preferably, a human Gal-1 version in which all six cysteines are substituted by serines may be used.Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 &#956;L/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 &#956;L of compound working dilutions are added and mixed.Plates are incubated for 3 hours at 4° C., then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 &#956;L/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 &#956;L/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
11981	1	CYP inhibitio	CYP inhibition by test compounds in human liver microsomes (HLM) for seven major CYP450 isoforms CYP1A2, CYP2C9, CYP2D6, CYP2B6, CYP2C8, CYP2C19 and CYP3A4 were assessed. Reactions were performed by incubating a test compound at concentrations of 0.02, 0.070, 0.21, 0.62, 1.85, 5.56, 16.67 and 50 &#956;M in <1% DMSO with HLM (0.2 mg/mL for CYP1A2 and 0.03 mg/ml for CYP3A4, 0.2 mg/mL for CYP2C19, CYP2D6, and CYP2C9) in 0.1M phosphate buffer, 1 mM NADPH and selective probe substrates of individual isoforms at 37° C. 50 &#956;M phenacetin, 2 &#956;M midazolam, 5 &#956;M diclofenac, 50 &#956;M mephenytoin, 80 &#956;M bupropion, and 5 &#956;M dextromethorphan were used as probe substrates of CYP1A2, CYP3A4, CYP2C9, CYP2C19, CYP2B6, and CYP2D6, respectively. The incubation times were 20 min for CYP 1A1, CYP2D6, CYP2C9, CYP2B6, and CYP2C8; 40 min for CYP2C19; and 10 min for CYP 3A4. Following incubations, the reactions were terminated with acetonitrile containing internal standard. The samples were centrifuged and the supernatants were analyzed for the formation of metabolites (1-hydroxymidazolam (CYP3A4), 4-hydroxydiclofenac (CYP2C9), 4-hydroxymephenytoin (CYP2C19) and dextrorphan (CYP2D6), hydroxybupropion (CYP2B6), acetaminophen (CYP1A2), desethylamodiaquine (CYP2C8)) by LC/MS/MS. Selective inhibitors for all isoforms were screened alongside as positive controls. A decrease in the formation of metabolites compared to vehicle control (100%) was used to estimate % inhibition, and the IC50 was estimated from concentration-response curves.
11982	1	ITK Enzyme Assay	1.0 M HEPES Buffer pH 7.5 solution was prepared as follows: 238.3 g HEPES free acid (Sigma) and 800 mL of water were combined, and the mixture was stirred until complete dissolution. The pH was adjusted to 7.5 via titration with 5N NaOH and the volume adjusted to 1000 mL. The solution was filtered and sterilized.ITK assay buffer was prepared as follows: 50 mL of HPLC-grade water was treated with 2 mL of 1.0 M HEPES Buffer, 500 &#956;L of 2% Gelatin (Sigma), 1.0 mL of aqueous MgCl2 solution (1.0 M), and 1.0 mL of aqueous glutathione solution (0.5 M), and the solution was mixed. The solution was brought to 99 mL in a graduated cylinder by addition of water and sterilized through a 0.2 &#956;m filter. 0.1 mL of Brij-35 Surfact-Amps Detergent Solution (10% w/v aqueous solution, ThermoFisher) and 1.0 mL of ATP (Teknova,100 mM) were added and the solution was mixed.Preparation of 1.33 ITK enzyme solution was as follows: 49.99 mL of ITK assay buffer was treated with 4.1 &#956;L of ITK enzyme (ITK FL (N-Flag and C-His tagged, &#8722;72 kDa) Lake Pharma, 0.25 mg/ml in a buffer containing 25 mM Tris pH 7.8, 150 mM NaCl, 10% glycerol and 2 mM TCEP) and the mixture was gently agitated. The resulting solution was stored on ice. 30 Minutes prior to use, the enzyme solution was removed from ice and equilibrated to RT by incubation in a RT water bath.
11983	1	Enzyme Assay: Pan SIK MS IC50 Assay	Salt Induced Kinase (SIK) activity is determined by measuring the effect of a test agent on the activity of the appropriate SIK enzyme to phosphorylate its corresponding substrate. The substrate peptides AQT0868, AQT0252, and AQT0508 were engineered by AssayQuant to be specific for their corresponding enzymes SIK 1, SIK 2, and SIK 3 respectively. The phosphorylated substrate product resulting from the kinase reaction is detected by LCMS/MS, and the area under the peak curve correlates with kinase activity. Before initiating the assay, the assay ready plates (ARP) containing 0.15 &#956;L compound in dose response format (10 &#956;M to 9.5 pM by 4-fold dilution) are thawed for 20-30 minutes at room temperature. The plates are spun at 1000 rpm for 30 seconds to ensure compounds are at the bottom of the well before removing foil covers. 0.15 &#956;L HPE (assay std) and ZPE (DMSO) are added to the ARP using an HP D300 dispenser. Plates are spun again at 1000 rpm for 30 seconds. 20 &#956;L of 1.25× enzyme (one plate each for SIK 1, SIK 2, and SIK 3) with 1 mM ATP in reaction buffer (Reagent Grade Water, 50 mM Hepes pH 7.5, 0.5 mM EGTA, 10 mM MgCl2, 0.01% Brij-35, 1% Glycerol, 0.01% BSA, 1 mM TCEP) are added with a Multidrop Combi and designated small volume cassette. Plates are spun at 1000 rpm for 30 seconds. Plates are then sealed and incubated at RT for 10 minutes. Following incubation, 5 &#956;L of 5× peptide reagent is added with a Multidrop Combi and designated small volume cassette to initiate the kinase reaction. Plates are spun at 1000 rpm for 30 seconds. Plates are then sealed and incubated at RT for 90 minutes. The assay is stopped by the addition of 5 &#956;l of 120 mM EDTA added with a Multidrop Combi and designated small volume cassette (20 mM final concentration). Plates are spun at 1000 rpm for 30 seconds. 10 &#956;l of the final reaction mix from each of the three individual enzyme plates are transferred by a Platemate Plus to the same corresponding 96 well deepwell plate containing 70 &#956;l Water/Methanol (85/15%) for multiplex MS detection (100 &#956;l total volume). Using Activity Base (ABase), an idbs data analysis software tool, the reported area ratio unit data is associated to compound, batch and dose information, the data is evaluated for quality, and the percent inhibition of each well is calculated. The data from each Max effect/HPE and Min effect/ZPE control wells are assessed, and outliers are excluded from all further calculations. The mean and standard deviation of the HPE and ZPE are then calculated for each plate, along with the Z Prime. The compound data is converted into % effect, using the average ZPE and HPE controls as 0% and 100% activity, respectively.
11984	1	Biochemical Assay	The brief introduction of the test principle: L-methionine and ATP can be converted into SAM, inorganic phosphate, and inorganic diphosphate under the catalysis of MAT2A enzymes. The content of inorganic phosphate in the sample can be quantitatively determined by adding a developer such as ammonium molybdate or the like to the enzymatic reaction mixture, thereby reflecting the enzymatic activity of MAT2A. Material: MAT2A screening kits were purchased from BPS bioscience (U.S.); 384-well plates were purchased from Corning Company (U.S.).1. MAT2A protein (Pharmaron Beijing Co., Ltd.);2. L-methionine (Sigma #M9625-5G)3. ATP (Sigma #A7699-1G)4. KCl (Sigma #60142-500ML-F)5. Tris (Sigma #T2663-1L)6. MgCl2 (Sigma #M1028)7. EDTA (Invitrogen #AM9260G)8. BSA (Sangon Biotech #A500023-0100)9. PiColorLock (abcam #ab270004)Detection method: In the experimental group, the test compound was dissolved in DMSO, diluted to a final concentration of 10 &#956;M using Echo, and diluted 3-fold. 80 nL of the dilution was transferred to a 384-well plate.The experimental buffer (50 mM Tris, 50 mM KCl, 15 mM MgCl2, 100 &#956;M EDTA, 0.005% BSA) was prepared. The MAT2A protein was diluted with the experimental buffer (at final concentration of 4 Vg/mL). 40 &#956;L of 2 MAT2A solution was added to the 384-well plate. The plate was centrifuged at 1000 rpm for 1 min and incubated at room temperature for 120 min.L-methionine and ATP (the final concentration of L-methionine was 200 JIM and the final concentration of ATP was 400 &#956;M) were diluted with the experimental buffer. 40 &#956;L of 2 L-methionine and ATP solution was added to initiate the reaction. The plate was centrifuged at 1000 rpm for 1 min and incubated at room temperature for 90 min.The PiColorLock reaction catalyst was mixed with the PiColorLock buffer at a ratio of 1:100 according to the instructions. 20 &#956;L was added to each well, and the plate was shaken for 30 s. 8 &#956;L stabilizing reagent was added, and the plate was shaken for 30 s. The signal values were measured after 30 min of incubation at room temperature.
11984	2	Enzymatic Activity of CYP2C9, CYP2D6, and CYP3A4	I. Experimental materials and instruments1. Human liver microsome (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma SLBV3438), dextromethorphan (TRC 3-EDO-175-1), and midazolam (Cerilliant FE01161704)4. Positive inhibitors sulfaphenazole (D. Ehrenstorfer GmbH 109012), quinidine (TCI WEODL-RE), and ketoconazole (Sigma 100M1091V)5. AB Sciex Triple Quad 5500 liquid chromatography-mass spectrometry systemII. Procedures1. Preparation of 100 mM phosphate-buffered saline (PBS): 7.098 g Na2HPO4 was weighed. 500 mL pure water was added. The mixture was dissolved by sonication to give solution A. 3.400 g KH2PO4 was weighed. 250 mL pure water was added. The mixture was dissolved by sonication to give solution B. The solution A was placed in a stirrer, and the solution B was slowly added until the pH reached 7.4, so that the 100 mM PBS buffer was prepared.2. A 10 mM NADPH solution was prepared with a 100 mM PBS buffer. A 10 mM stock solution of the compound of the present application was diluted with DMSO to give a compound working solution at a concentration of 200×(6000, 2000, 600, 200, 60, 20, and 0 &#956;M). The positive inhibitor stock solution was diluted with DMSO to give a positive inhibitor working solution at a concentration of 200×(sulfaphenazole, 1000, 300, 100, 30, 10, 3, and 0 &#956;M; quinidine/ketoconazole, 100, 30, 10, 3, 1, 0.3, and 0 &#956;M). Substrate working solutions (120 &#956;M diclofenac, 400 &#956;M dextromethorphan, and 200 &#956;M midazolam) at a concentration of 200× were prepared with water, acetonitrile, or acetonitrile/methanol.3. 2 &#956;L of 20 mg/mL liver microsome solution, 1 &#956;L of substrate working solution, 1 &#956;L of compound working solution, and 176 &#956;L of PBS buffer were taken, mixed well, and placed in a 37° C. water bath for pre-incubation for 15 min. 1 &#956;L of sulfaphenazole, quinidine, or ketoconazole working solution was added to the positive control group instead of the compound working solution. At the same time, 10 mM NADPH solution was placed together in the 37° C. water bath for pre-incubation for 15 min. After 15 min, 20 &#956;L of NADPH was added to each well to initiate the reaction. The mixture was incubated at 37° C. for 5 min (CYP2C9), 20 min (CYP2D6), or 5 min (CYP3A4). All incubated samples were in duplicate. After incubation for the corresponding period of time, 400 &#956;L of icy methanol containing internal standard was added to all samples to stop the reaction. The mixture was vortexed, mixed well, and centrifuged for 40 min at 4° C. at 3220 g. 100 &#956;L of the supernatant was transferred to a feeding plate after the centrifugation was completed, and 100 &#956;L ultrapure water was added. The mixture was well mixed for LC-MS/MS analysis.
11985	1	Affinity of the Compounds of the Present Invention for Dopamine D2 Receptors	The affinity of the compounds of the present invention for the dopamine D2 receptors was determined by the method of radioligand competition experiment. In the first step, a cell membrane component containing specific dopamine D2 receptors was prepared. A10 cm dish was used for transfection with 10 ng of the dopamine D2 receptors and 40 &#956;L of PEI. After 48 hours, the 10 cm dish was taken out from the cell culture room and the cultured cells had expressed the dopamine D2 receptors. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each well, and the cells were placed in a 4° C. freezer for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally divided into several EP tubes, centrifuged at 4° C. and 12000 rpm for 5 min, and the supernatant was discarded. The precipitate was the cell membrane component containing the dopamine D2 receptors. In the second step, a ligand-receptor binding experiment was performed on HEK-293T membrane component transiently expressing the dopamine D2 receptors.
11986	1	PIM1/2/3 Kinase Activity Assay	PIM1, PIM2, and PIM3 (all three kinases are from Carna) were each prepared with 1× Kinase buffer into a kinase solution at a concentration that was 2.5 times the final concentration. 10 &#956;L of kinase solution at a concentration that was 2.5 times the final concentration was added to each of the compound wells and the positive control well, and 10 &#956;L of 1× Kinase buffer was added to the negative control well. The plate was centrifuged at 1000 rpm for 30 s, mixed well by shaking, and then incubated at room temperature for 10 min. A mixed solution of ATP and Kinase substrate 20 (from GL) at a concentration that was 25/15 times the final concentration was prepared with 1× Kinase buffer. The reaction was started by adding 15 &#956;L of the mixed solution of ATP and Kinase substrate 20 at a concentration that was 25/15 times the final concentration. The 384-well plate was centrifuged at 1000 rpm for 30 s, mixed well by shaking, and then incubated at room temperature for 60 min. 30 &#956;L of stop assay buffer was added to stop the kinase reaction. The plate was centrifuged at 1000 rpm for 30 s and mixed well by shaking. The conversion rates were read using Caliper EZ Reader.
11987	1	SOS-Catalyzed Nucleotide Exchange Assay	Biotinylated KRAS G12C protein (SEQ ID NO: 1) is diluted to 2 &#956;M in an EDTA buffer (20 mM HEPES, 150 mM sodium chloride, 10 mM EDTA, and 0.01% Tween) and incubated at room temperature for one hour. This mixture is then further diluted to 90 nM in an assay buffer (20 mM HEPES, 150 mM sodium chloride, 10 mM magnesium chloride, and 0.005% Tween) containing 15 nM of Terbium-Streptavidin (Invitrogen, catalog #PV3577) and 900 nM of Bodipy-GDP and incubated at room temperature for six hours. This solution is referred to as Biotinylated KRAS G12C mixture.Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labcyte, catalog #LP-0200). Once titrations are made, 10 nL of the diluted compounds is acoustically dispensed into a 384-well plate (Corning, catalog #3820) using an Echo 550 (Labcyte).Each well of the plate receives 3 &#956;L Biotinylated KRAS G12C mixture that had been incubating for six hours and 3 &#956;L of assay buffer using a BioRAPTR (Beckman Coulter) and is incubated at room temperature for 60 minutes. Each well then receives 3 &#956;L of 240 nM recombinant human SOS protein and 9 mM GTP (Sigma, G8877) in assay buffer and is incubated at room temperature for 60 minutes.
11988	1	Vanin-1 Recombinant Enzyme Activity Inhibition Assay	A certain mass of the compound was weighed precisely, and prepared with DMSO and reaction buffer (50 mM Tris base, 50 mM KCl, 1.6 mM cysteamine, 0.005% Brij 35, pH 8.0, prepared when using) to a maximum concentration of 10000 nM, then diluted in a 4-fold gradient, and prepared into 10 compound working solutions with different concentrations;for the activity inhibition reaction of recombinant human Vanin-1 (Biorab, JN0618), 2.5 &#956;L of compound working solution and 5 &#956;L of recombinant human Vanin-1 protein were first mixed. The mixture was incubated at room temperature for 15 minutes, then added with 2.5 &#956;L of Pantetheine 7-amino-4-trifluoromethylcoumarin substrate, such that the final concentration of recombinant human Vanin-1 was 62.5 pM and the final concentration of Pantetheine 7-amino-4-trifluoromethylcoumarin substrate was 45 &#956;M in the 10 L reaction system. The reaction was carried out in a 384-well plate (PerkinElmer, 6007280) with DMSO at a final concentration of 1%. The excitation light was set at 405 nm and the emission light was set at 505 nm on the microplate reader, and kinetic reading was performed at 25° C. for 1 hour. 
11988	2	CYP Enzyme Inhibitory Activity IC50 Assay	The CYP enzyme probe substrates used in the experiment were: Phenacetin (1A2), Bupropion (2B6), Amodiaquine (2C8), Mephenytoin (2C19), Diclofenac (2C9), Dextromethorphan (2D6) and Testosterone (3A4/5). The final concentration of microsomes in the experimental system was 0.1 mg/mL. PBS Buffer was 50 mM K2HPO4 buffer. The concentrations of the compound to be tested were 50 &#956;M, 12.5 &#956;M, 3.125 &#956;M, 0.781 &#956;M, 0.195 &#956;M, and 0.0488 &#956;M, respectively. The corresponding probe substrates and microsomes were added into PBS, mixed well and dispensed into each reaction system, then control compound/compound to be tested/DMSO solution was added into the corresponding reaction systems respectively. The reaction system was mixed well, pre-incubated in a water bath at 37° C. for 5 minutes, added with 10 mM NADPH solution and mixed well, and reacted in a water bath at 37° C. for 10 minutes. After the reaction was completed, an internal standard acetonitrile solution was added to terminate the reaction. Centrifugation was performed at 4000 rpm, and the supernatant solution was taken and mixed well with an equal volume of pure water. 
11989	1	Cdc42 and Rheb GTP Binding Domain Inhibition Assa	The small GTPases proteins cdc42 and Rheb were expressed as His-tagged proteins. For the assay, the cdc42 and Rheb purified small GTPases proteins were diluted in Buffer-I or Buffer-II to a final concentration of 10-30 &#956;g/mL. 200 &#956;L of each diluted protein was added to a nickel-coated 96-well plate and incubated overnight at 40 C. Then the protein solution was discarded and 200 &#956;L of Buffer-I or Buffer-II was added to each well in the presence of 1% DMSO. Compounds to be tested were added to the protein-coated wells at final concentration of 20 &#956;M, and incubated for 3 hours at room temperature with and without 10-30 &#956;g/mL of Sos added to the final hour of the incubation. When performing IC50 measurements a serial dilution of all tested concentrations was added. Then Cy3-GTP or Cy5-GTP was added to each well to a final concentration of 100 nM. The labeled GTP was incubated for 45 minutes at room temperature. Following GTP incubation, wells were washed 3× in Buffer-I or Buffer-II and 200 &#956;L of Buffer-I or Buffer-II was added to each well. Following washes, the amount of bound labeled-GTP was measured using a SpectraMax M3 (Molecular Devices).
11990	1	Biological Assay	The following assay and stock buffers were prepared for use in the assay: (a) Stock buffer: 10 mM Tris-HCl, pH=7.5+150 mM NaCl, filtered, sterilized, and stored at 4° C.; and (b) 1× assay buffer, where the following ingredients were added fresh to stock buffer: 2 mM dithiothreitol (DTT), 0.0025% Tween-20, 0.1 mg/mL bovine serum albumin (BSA). The 1×Tb-Mcl-1+Cy5 Bim peptide solution was prepared by diluting the protein stock solution using the 1× assay buffer (b) to 25 pM Tb-Mcl-1 and 8 nM Cy5 Bim peptide.Using the Acoustic ECHO, 100 nL of 100× test compound(s) were dispensed into individual wells of a white 384-well Perkin Elmer Proxiplate, for a final compound concentration of 1× and final DMSO concentration of 1%. Inhibitor control and neutral control (NC, 100 nL of 100% DMSO) were stamped into columns 23 and 24 of assay plate, respectively. Into each well of the plate was then dispensed 10 &#956;L of the 1×Tb-Mcl-1+Cy5 Bim peptide solution. The plate was centrifuged with a cover plate at 1000 rpm for 1 minute, then incubated for 60 minutes at room temperature with plates covered. The TR-FRET signal was read on an BMG PHERAStar FSX MicroPlate Reader at room temperature using the HTRF optic module (HTRF: excitation: 337 nm, light source: laser, emission A: 665 nm, emission B: 620 nm, integration start: 60 &#956;s, integration time: 400 pts).
11991	1	Mpro In Vitro Screening Assay	To determine potency and selectivity index of identified hits, compounds were tested in 8-point dose response with a 3-fold step dilution at concentration ranging from 30-0.01 &#956;M and four replicates. N-hydroxy cytidine (NHC), an antiviral with known anti SARS-CoV-2 activity, was used as a reference inhibitor.All infections with virulent strains were performed in a BSL-3 laboratory in accordance with CDC and US Army safety regulations. To identify small molecule inhibitors of SARS-CoV-2, VeroE6 cells (ATCC CRL-1586) were seeded at a density of 4000 cells/well in a 384 well imaging plates (Aurora Microplates, ABE2-31101A). Next day cells were pre-treated with the compound for two hours and then infected with SARS-CoV-2 (USA-WA1/2020) at a multiplicity of infection (MOI) of 0.01. After 32 hours following infection, cells were fixed in 10% formalin. To detect the viral antigen, immunofluorescence staining was performed wherein formalin fixed cells were washed three times with Phosphate buffered saline (PBS) and then incubated at room temperature (RT) with 50 &#956;l of a combination cell permeabilization and blocking buffer (3% BSA, 0.1% Triton X-100 in PBS). After 1 hour, blocking buffer was replaced with 50 &#956;l primary antibody solution (SARS-CoV/SARS-CoV-2 Nucleocapsid Rabbit Mab, Sino Biological, Cat 40143-R001) diluted 1:1000 in PBS and allowed to bind for 1 hour at RT. After two washes with 50 &#956;l PBS, cells were stained for 30 minutes with 1:500 dilution of Alexa 488 anti-rabbit IgG (Invitrogen A11031). After 30 minutes, cells were washed three times with PBS. In the final step, PBS was replaced with 50 &#956;l per well of 1:10000 Hoechst nuclear dye (Invitrogen H3570) and 5 mg/ml HCS Cellmask Deep Red (Invitrogen H32721), a cytoplasmic stain, all diluted with PBS.
11992	1	HCK Kinase Assay	HCK kinase reaction (10 &#956;L) containing 4 nM N-terminally GST-tagged HCK (75-526), purified from insect expression system, 5 &#956;M Control AMC Substrate, 2 &#956;M Src-Family Kinase R110 Substrate, and 50 &#956;M ATP in kinase reaction buffer (40 mM Tris-HCl pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA, 1 mM MnCl2, 0.1 mM Sodium Vanadate), and test compound 1:3 serially-diluted starting at 1 &#956;M were incubated at room temperature (22-25° C.) for 60 minutes in 384 well plate (Corning, Cat. No. 4514). The procedure of ProFluor Src-Family Kinase Assay (Promega, Cat. No. V1271) was then followed. To the reaction was added 5 &#956;L Protease solution and the mixture was incubated for 60 minutes at room temperature (22-25° C.), followed by 5 &#956;L Stabilizer solution. The fluorescence signal was read on an Envision multilabel plate reader (Perkin Elmer). The R110 was then read at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. The AMC signal was read at an excitation wavelength of 355 nm and an emission wavelength of 460 nm.
11993	1	In Vitro Assay for MPS Inhibition	H9C2 cells were incubated in DMEM (Hyclone, GE LifeSciences) with 10% FBS (Gibco, Life Technologies) and 1 Glutamine (Gibco, Life Technologies) and NEAA (Gibco, Life Technologies) at 37 C., 5% CO2 at 1500 cells/well in a 384-well plate. Test compound was added after 18 hr incubation, and then incubated for 5 days. COX-1 protein (cyclooxygenase I) and SDH-A (succinate dehydrogenase-A) formation reduction were measured by ELISA assay (MitoBiogenesis In-Cell ELISA Kit (Colorimetric, Abcam). 
11994	1	MEK1-Inhibiting Activity Assay	The MEK1-inhibiting activity of the compounds listed in Table 3 below were evaluated by the fluorescent polarization method as described below.The test compound, CRAF (Thermo Fisher Scientific Inc.), MEK1 (Thermo Fisher Scientific Inc.) and ERK2 (Carna Biosciences, Inc.) were mixed in ATP-containing buffer and reacted for 60 minutes at 30° C. FAM-labeled ERKtide (Molecular Devices Corp.) was then added and reaction was continued for 45 minutes at 30° C. IMAP (registered trademark) Progressive Binding Reagent (Molecular Devices Corp.) was further added, and reaction was continued for 15 minutes at room temperature. Following the reaction, the fluorescent polarization was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control. 
11994	2	BRAF-Inhibiting Assay	The BRAF-inhibiting activity of the compounds listed in Table 3 below was evaluated by the time-resolved fluorescence-fluorescence resonance energy transfer assay as described below.The test compound, BRAF (Eurofins Genomics KK.) and MEK1 (Thermo Fisher Scientific Inc.) were mixed in ATP-containing buffer and reacted for 90 minutes at 30° C. LANCE (registered trademark) Eu-Phospho-MEK1/2(Ser217/221) antibody (Perkin-Elmer) was then added, and reaction was continued for 60 minutes at room temperature. Following the reaction, the fluorescence resonance energy transfer was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control.
11995	1	Human DGK&#950; Kinase Activity Inhibition Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in dimethyl sulfoxide (DMSO, Sigma) was pipetted into either a white 1536-well or a white low-volume 384-well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany). Subsequently, 2 &#956;l of a solution of human DGK&#950; in aqueous assay buffer [50 mM (3-(N-morpholino)propanesulfonic acid (MOPS, pH 7.4, Sigma-Aldrich), 1 mM dithiothreitol (DTT, Sigma-Aldrich), 100 mM NaCl (Sigma-Aldrich), 10 mM MgCl2 (Sigma-Aldrich), 0.1% (w/v) bovine gamma globulin (BGG, Sigma-Aldrich), 1 &#956;M CaCl2 (Sigma-Aldrich)] were added to the wells, and the mixture was incubated for 15 min at 22 C. to allow pre-binding of the test compounds to the enzyme. The reaction was initiated by the addition of 3 &#956;L of substrate solution [preparation described above; 11.7 &#956;M 1,2-dioleoyl-sn-glycerol (=>final conc. in the 5 &#956;L assay volume is 7 &#956;M), 8.33 mM octyl-&#946;-D-glucopyranoside (=>final conc. in 5 &#956;L assay volume is 5 mM), and 91.67 &#956;M adenosine triphosphate (=>final conc. in 5 &#956;L assay volume is 55 &#956;M) in assay buffer] and the resulting mixture was incubated for a reaction time of 20 min at 22 C. The concentration of DGK&#950; was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.1 nM. The reaction was stopped by the addition of 2.5 &#956;L of ADP-Glo-reagent (1 to 1.5 diluted with water) and the resulting mixture was incubated at 22 C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;l of the kinase detection reagent (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22 C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the DGK&#950;.
11996	2	In Vitro DGK Inhibition Assay	The DGK&#945; and DGK&#950; reactions were performed using either extruded liposome (DGK&#945; and DGK&#950; LIPGLO assays). The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 &#956;M CaCl2), and 1 mM DTT (assay buffer). The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions (5 mM total lipid). The reactions were carried out in 150 &#956;M ATP. The enzyme concentrations for the DGK&#945; and DGK&#950; were 5 nM.The compound inhibition studies were carried out as follows: 25 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/lipid substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGK&#945; or DGK&#950; (prepared as described below) in assay buffer) and 2.5 mL of 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 &#956;L 2× enzyme/lipid substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 &#956;L 300 uM ATP. The reactions were allowed to proceed for 2 hr, after which 2 &#956;L Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 &#956;L Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The percent inhibition was calculated from the ATP conversion generated by no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The compounds were evaluated at 11 concentrations to determine IC50.
11996	1	In Vitro DGK Inhibition Assay	The DGK&#945; and DGK&#950; reactions were performed using extruded liposomes (DGK&#945; and DGK&#950; LIPGLO assays). The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 &#956;M CaCl2), and 1 mM DTT (assay buffer). The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions. The reactions were carried out in 150 &#956;M ATP. The enzyme concentrations for the DGK&#945; and DGK&#950; were 5 nM.The compound inhibition studies were carried out as follows: 50 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGK&#945; or DGK&#950; (prepared as described below) in assay buffer) and 2.5 mL of 4× liposome solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 &#956;L 2× enzyme/substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 &#956;L 300 uM ATP. The reactions were allowed to proceed for 1 hr, after which 2 &#956;L Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 &#956;L Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The compounds were evaluated at 11 concentrations to determine IC50.
11997	1	Scintillation Proximity Assay (SPA) Competitive Binding	A radioligand binding assay was developed to determine whether compound interactions were competitive with a tritium-labeled version of the native STING ligand, 3H-cyclic guanine (2&#8242;,5&#8242;) monophosphate adenine (3,5&#8242;) monophosphate (3H-cGAMP). The STING constructs (WT and H232R) were comprised of residues 155-341 with both N- and C-terminal truncations; the N-terminal transmembrane domains were removed (1-154), as well as the C-terminal tail (342-379). A highly specific N-terminal biotinylation was achieved enzymatically with the E. coli biotin ligase (BirA) and inclusion of the high-affinity biotinylation peptide AviTag . 100 nM STING protein was immobilized on 20 &#956;g streptavidin polyvinyl toluene (SA-PVT) beads in 150 mM NaCl, 25 mM Hepes (pH 7.5), 0.1 mM EDTA, 1 mM DTT, 0.005% (v/v) Tween-20, 1% (v/v) DMSO. 100 nM 3H-cGAMP and compounds were added and allowed to come to equilibrium at room temperature (20 min). Compounds were tested in three-fold dilution series from a 100 &#956;M starting concentration and normalized to a positive control compound that completely blocked 3H-cGAMP binding and the negative control DMSO. 
11998	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	[Bcl-2 protein or Bcl-xL protein], [Probe], [Antibody],Protein Probe nM nM Antibody nMGST- F-Bak 1 100 Tb-anti- 1Bcl- Acetyl-(SEQ GST 2 ID NO: 3)-NH2The samples were then mixed on a shaker for 1 minute and equilibrated for an additional 3 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-GST antibody) emission filters. Inhibition constants (Ki) were determined using Wang&#39;s equation (Wang FEBS Lett. 1995, 360, 111-114). The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) to determine apparent half maximal inhibitory concentration (IC50) after HS protein binding.
11999	1	ER-alpha Binding Assay	Compounds were screened for their ability to displace a fluorescent labelled tracer ER&#945; ligand via time resolved fluorescent energy transfer using the LanthaScreen Competitive Binding Assay screening service (Thermo Fisher Scientific).
12000	1	Enzymatic Assay for Mpro	The SARS-CoV-2 3CLPro (Mpro), MBP-tagged Assay Kit (BPS Biosciences, San Diego, CA, USA) was used to measure 3CL Protease (Mpro) activity for screening and profiling applications. The 3CL inhibitor GC376 was included as a positive control and also used as a standard. The assay was performed according to the protocol provided by the manufacturer with the concentration of compounds tested being 10&#8722;7 M.
12001	1	GABAA (&#945;1&#946;2&#947;2) Receptor Current using Patch-Clamp Technique	A whole-cell patch-clamp technique was used to study the allosteric regulation effect of the compound of the present invention on the GABAA (&#945;1&#946;2&#947;2) receptor.HEK293 cell lines stably expressing the GABAA (&#945;1&#946;2&#947;2) receptor were used. The GABAA (&#945;1&#946;2&#947;2) receptor gene information was as follows: GABA-&#945;1: NM_000806; GABA-&#946;2: NM_021911; GABA-&#947;2: NM_198904. The voltage stimulus of GABA receptor current recorded by a whole-cell patch-clamp technique was as follows: when whole-cell sealing was formed, the cell membrane voltage was clamped at &#8722;70 mV. The peak value of current was recorded after sequentially spraying test compounds from low concentration to high concentration and 100 &#956;M GABA onto the cell surface in a Gap-free mode. The mode of administration of test compounds was as follows: for each concentration, the test compound was administered 1-2 times; the cells were washed with extracellular fluid for 1 min before detection was performed on the test compound at another concentration; and finally, 100 &#956;M GABA was given as the control. The experimental data was collected by an EPC-10 amplifier (HEKA) and stored in PatchMaster (HEKA) software. A microelectrode puller was used to pull capillary glass tubes into a recording electrode. A microelectrode manipulator was manipulated under an inverted microscope to contact the recording electrode with cells, and negative pressure suction was applied to form a G&#937; seal. After the G&#937; seal was formed, rapid capacitance compensation (pF) was conducted, and then negative pressure was continued to break cell membranes, forming a whole-cell recording mode. Then slow capacitance compensation was conducted, and the membrane capacitance (pF) and series resistance were recorded. 
12002	1	CRBN Fluorescence Polarization Assay	In this competitive fluorescent polarization assay Cy5 conjugated lenalidomide analog (Cy5-O-Len)13 was used as a fluorescent probe. 6×His-CRBN-DDB1 protein (200 nM) and Cy5-O-Len probe (30 nM) were combined in 20 mM HEPES pH 7, 150 mM NaCl, 0.005% Tween-20 assay buffer. 20 &#956;L of this assay cocktail was dispensed into wells of Corning 3821 black 384-well plates. Compounds were transferred to the assay plate from a dose-response plate using a Pintool on a Biomek FXP Laboratory Automation Workstation (Beckman Coulter). The plates were incubated in the dark for 1 hour at room temperature and then read on an Envision plate reader (PerkinElmer, Massachusetts, USA). IC50 values were determined using a proprietary software RISE (Robust Investigation of Screening Experiments), developed in house on the Pipeline Pilot platform (Biovia, v. 17.2.0). Data represent the mean of three independent determinations.
12003	1	IRAK4 Kinase Inhibitory Activity Assay	The inhibitory activity (IC50) of the compound on IRAK4 kinase under Km ATP was detected by mobility shift assay (MSA). Ten drug concentration gradients were set (initial concentration 1 &#956;M, 3-fold dilution, 2 duplicate wells per concentration). IRAK4 kinase was added to the kinase buffer solution, which was transfered to a test plate, and then FAM-labeled peptide and ATP (37 &#956;M) were added. After incubation at 28° C. for a period of time, 10 &#956;L of termination buffer was added to terminate the reaction. The conversion rate data was read with Caliper, and then the conversion rate was converted into inhibition rate data. According to the inhibition rate data of each concentration, the IC50 of half inhibitory concentration was calculated by Logit method (Table 3).
12004	1	ITK Enzyme Assay	1.0 M HEPES Buffer pH 7.5 solution was prepared as follows: 238.3 g HEPES free acid (Sigma) and 800 mL of water were combined, and the mixture was stirred until complete dissolution. The pH was adjusted to 7.5 via titration with 5N NaOH and the volume adjusted to 1000 mL. The solution was filtered and sterilized.ITK assay buffer was prepared as follows: 50 mL of HPLC-grade water was treated with 2 mL of 1.0 M HEPES Buffer, 500 &#956;L of 2% Gelatin (Sigma), 1.0 mL of aqueous MgCl2 solution (1.0 M), and 1.0 mL of aqueous glutathione solution (0.5 M), and the solution was mixed. The solution was brought to 99 mL in a graduated cylinder by addition of water and sterilized through a 0.2 &#956;m filter. 0.1 mL of Brij-35 Surfact-AmpS Detergent Solution (10% w/v aqueous solution, ThermoFisher) and 1.0 mL of ATP (Teknova, 100 mM) were added and the solution was mixed.Preparation of 1.33×ITK enzyme solution was as follows: 49.99 mL of ITK assay buffer was treated with 4.1 &#956;L of ITK enzyme (ITK FL (N-Flag and C-His tagged, 72 kDa) Lake Pharma, 0.25 mg/ml in a buffer containing 25 mM Tris pH 7.8, 150 mM NaCl, 10% glycerol and 2 mM TCEP) and the mixture was gently agitated. The resulting solution was stored on ice. 30 Minutes prior to use, the enzyme solution was removed from ice and equilibrated to RT by incubation in a RT water bath.Preparation of 4×ITK substrate solution was as follows: 50 mL of ITK assay buffer was treated with 100 &#956;L of BTK peptide (China Peptide Company, 2 mM stock solution in DMSO). The tube was capped, mixed by gently inverting the tube, and then stored on ice. 30 Minutes prior to use, the substrate solution was removed from ice and equilibrated to RT by incubation in a RT water bath.At the time of assay, 7.5 &#956;L of the 1.33×ITK enzyme solution was added to plate wells containing 0.1 &#956;L of varying concentrations of test compound in DMSO. The plate was incubated 30 min at RT. The plate wells were each treated with 2.5 uL of the 4×ITK substrate solution and the plate was sealed (TopSeal , Perkin Elmer). The plate was spun at 1000 rpm for 30 sec and then incubated for 60 min at RT. The seal was removed, and each well was treated with 10 &#956;L of Stop/Detect Buffer (20 mM HEPES pH 7.5, 0.01% gelatin, 1 nM LANCE PT66 (Perkin Elmer), 16.5 &#956;g/ml Surelight APC (Perkin Elmer), 10 mM EDTA, 250 mM NaCl). The plate was again covered and was spun at 1000 rpm for 30 seconds. The plate was allowed to incubate overnight at RT and in a closed carrier to reduce dehydration. The seal was removed, and the fluorescence was read with a plate reader with an excitation wavelength of 665 nm and an emission wavelength of 615 nm. 
12005	1	LPD Assay	LPD Assay. Lpd activity was measured by the DTNB assay according to previously published procedures. For preincubation of Lpd with the inhibitor, Lpd was dispensed into the wells, compounds added at specified concentrations, mixed and preincubated at RT for 30 min without any other components. Reaction was started by adding assay mix containing the substrates (lipoamide, NADH) and DTNB and the TNB production was recorded over time at RT in the SpectraMax plate reader at 412 nm. For time-dependent measurements compounds were added to wells containing assay mix and the reaction was started by the addition of Lpd protein and TNB production was followed over time in SpectraMax plate reader at 412 nm. Final concentrations of components in the reaction mixture were as following: 150 &#956;M NADH, 150 &#956;M DTNB, 40 &#956;M NAD+, 75 &#956;M lipoamide in 25 mM potassium phosphate, 1 mM ETDA pH 7.0. Lpd protein was tested at variable concentrations specified in the graphs. Protein concentration was determined by Bradford, Lpd concentration is provided for monomeric enzyme; active species is a dimer and binds 2 molecules of compound per dimer. 
12005	2	LPD Assay with 30 min preincubation	The same LPD Assay.
12006	1	In Vitro Enzymatic Inhibitory Activity Assay	The test was performed in a U-shaped bottom 384-well plate (coming, 4512 #), and the reaction temperature was 27° C. CDK7/CyclinH was diluted in a test buffer solution (20 mM MES PH6.75, 0.01% Tween20, 50 ug/mL BSA, 6 mM MgCl2) to obtain a corresponding enzyme solution with a 2.4× concentration. CDK2/CyclinE1 was diluted in a test buffer solution (20 mM MES PH6.75, 0.01% Tween20, 50 ug/mL BSA, 6 mM MgCl2) to obtain a corresponding enzyme solution with a 2.4× concentration. CDK9/CyclinT1 was diluted in a test buffer solution (20 mM MES PH6.75, 0.01% Tween20, 50 ug/mL BSA, 10 mM MgCl2) to obtain a corresponding enzyme solution with a 2.4× concentration. CDK12/CyclinK was diluted in a test buffer solution (80 mM MES PH6.5, 0.01% Tween20, 50 ug/mL BSA, 10 mM MgCl2) to obtain a corresponding enzyme solution with a 2.4× concentration. The compounds were dissolved in dimethyl sulfoxide (DMSO) at a concentration of 10 mM. When in use, the compounds were diluted with DMSO into 10 concentration gradients ranging from 25 nM to 500 uM, which were respectively diluted by 8.3 times in the test buffer solution to obtain compound solutions with a 6× concentration. A polypeptide substrate and ATP were diluted in the test buffer solution to obtain a mixed solution of the polypeptide substrate and ATP with a 2.4× concentration. 2 ul of a test compound solution was mixed with 5 ul of enzyme solution. After incubating for 10 min, 5 ul of the mixed solution of the polypeptide substrate and ATP was added. After incubating at 27° C. for 180 min, 4 uL of EDTA with a 120 mM concentration was added to each sample to stop the reaction. The test buffer solution containing 20 uM of staurosporine replaced the compound solution as 100% inhibitory control, the DMSO replaced the compound solution as 0% inhibitory control, and each test at least contained 2 parallel controls. 
12007	1	PD-L1 Binding Assay	Experimental Materials:PD1:PD-L1 TR-FRET assay kit, purchased from BPS Biosciences. Nivo multimode microplate reader (PerkinElmer)Experimental Method:PD1-Eu, dye-labeled acceptor, PD-L1-biotin, and compound to be tested were all diluted using the buffer in the kit.The compound to be tested was diluted 5-fold to the 8th concentration, i.e., from 4 &#956;M to 0.05 nM, and the DMSO concentration was 4%. The experiment was set up in duplicate wells. 5 &#956;L of each concentration gradient of the compound to be tested was added to a microtiter plate, wherein 5 &#956;L of a buffer containing 4% DMSO and 5 &#956;L of PD-L1-biotin (60 nM) was added to the Max signal well, and only 5 &#956;L of buffer was added to the Min signal well. The plate was incubated at 25° C. for 20 minutes. After the incubation, 5 &#956;L of diluted PD1-Eu (10 nM) and 5 &#956;L of diluted dye-labeled acceptor were added to each well. The system was reacted at 25° C. for 90 minutes. After the reaction, the multimode microplate reader was used to read the time-resolved fluorescence analysis signal.
12008	1	In Vitro Evaluation of Inhibitory Activity Against Syk Protein Kinase	Test Procedure and Method:(a) Compound dilution and microplate injection1) Compound powder was weighed and dissolved in a specific amount of DMSO at an initial concentration of 10 mM.2) The compound was diluted to have a concentration of 0.74 mM, POD18 was used for microplate injection by 135 nL per well, an initial concentration of the compound was 10 &#956;M, and 11 concentrations and 3-fold descending serial dilution were carried out.(b) Reaction stage of enzyme and substrate1) Preparation of test buffer dilution: 5×HTRF buffer in the kit was diluted to 1×HTRF buffer, and a specified amount of DTT and MgCl2 solution were added for later use.2) A Syk enzyme reaction solution was prepared with 1×HTRF buffer, so that a final reaction concentration of Syk kinase was 0.0156 ng/&#956;L.3) A TK-Substrate-biotin/ATP mixture was prepared, so that a final substrate concentration was controlled to be 0.2 &#956;M. An ATP concentration was controlled to be 2 &#956;M.4) A mutidorp injector was used to add the sample, 5 &#956;L of Syk enzyme solution and TK-Substrate-biotin/ATP mixture were added to each well, and incubated at 23° C. for 1 hour.
12009	1	Human Sortilin Binding Assay	The compound affinity was determined by measuring the inhibition of 3H-neurotensin and/or 125I-neurotensin binding to human full length sortilin using a Scintillation Proximity Assay (SPA) format.The human sortilin SPA binding assay was performed in a total volume of 40 &#956;l in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% (v:v) BSA and 0.1% (v:v)Tween-20. Varying concentration of test compounds where pre-incubated for 30 min at RT with 150 nM of c-terminal hexahistidine- human full length Sortilin (RD Systems). 5 nM [3H]-Neurotensin or 0.35 nM [125I]-Neurotensin was added as radioligand and nonspecific binding defined as the binding observed in the presence 20 &#956;M of human Neurotensin. 0.1 mg PVT copper HIS-tag imaging beads (Perkin Elmer) was added and the plate was agitated at 400 rpm in the dark for 1 hr. The SPA beads were allowed a minimum 2 hours settling time before the plate was read on a Hidex Sense 425-301 scintillation reader with a 45 sec exposure time. Concentration-response evaluation of test compounds was performed with 8 different concentrations of compound (covering 3 decades). Using assay high and low controls (0 &#956;M and 20 &#956;M human neurotensin, respectively), relative IC50 values were calculated by nonlinear regression analysis using the sigmoid concentration-response (variable slope) fitting option available in GraphPad Prism 9.0. The compound potency results were converted to inhibition constant Ki values (nM) derived from calculated IC50 values converted to Ki values using the Cheng-Prusoff equation (Ki=IC50/(I+(L/Kd))). Kd for human neurotensin was experimentally determined by saturation binding as 374 nM (n=2).
12010	1	Enzymatic Inhibitory Activity (IC50) Assay	The operation method is briefly described as follows:The powders of the compound were dissolved in 100% DMSO to make a 10 mM stock solution. The initial test concentration of the compound was 10,000 nM, 3-fold serial dilution, 10 concentrations, and repeated hole detection. The serially diluted compounds and kinases were mixed in the Optiplate-384F well plate and incubated at room temperature for 10 minutes, then ATP and Kinase substrate30 (GL Biochem, Cat.117885) mixture were added, mixed homogeneously and then reacted at room temperature for 20 minutes. A stop detection solution was added to stop the enzymatic reaction, and the conversion rate was read with Caliper EZ Reader II.Data analysis: %Inhibition=Conversion %_max-Conversion %_sampleConversion %_max-Conversion %_min 100[0301]wherein: Conversion%_sample is the conversion rate reading of the sample; Conversion%_min: the average value of the negative control wells, representing the conversion rate readings of the wells without enzyme activity; Conversion%_max: the average ratio of the positive control wells, representing the conversion rate readings of the wells without compound inhibition.
12011	1	Bioluminescence Resonance Energy Transfer (BRET) Assay	The inhibitory activity of each compound on the binding between NRF2 and KEAP1 was measured by bioluminescence resonance energy transfer (BRET) assay. A plasmid having human NRF2 (Original Clone ID: ha01449s1) sequence fused with NanoLuc (19 kDa, Promega) at the N-terminal was transduced into HCE-T cells (immortalized human corneal epithelial cells) using FuGENE HD (Promega). 48 hours after transduction, the cell lysate was collected and used as an NRF2-expressing cell lysate. A plasmid having human KEAP1 (Original Clone ID: cs00328) sequence fused with HaloTag (33 kDa, Promega) at the C-terminal was transduced into HCE-T cells using FuGENE HD (Promega). After 24 hours, HaloTag Nano BRET 618 Ligand (Promega) was added to the medium. The cell lysate cultured for 24 hours after the addition was used as a KEAP1-expressing cell lysate.
12012	1	Biochemical Kinase Assay Protocol (JAK)	Reagent: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij 35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO, where required cofactors were added individually to each kinase reaction.Reaction Procedure:1. Prepared indicated substrate in freshly prepared Base Reaction Buffer2. Delivered any required cofactors to the substrate solution above3. Delivered indicated kinase into the substrate solution and gently mix4. Delivered compounds in DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), incubated for 20 minutes at room temperature5. Delivered 33P-ATP into the reaction mixture to initiate the reaction.6. Incubated kinase reaction for 2 hours at room temperature7. Reactions were spotted onto P81 ion exchange paper8. Detected kinase activity by filter-binding method.
12013	1	hERG Assay	Experiments were performed on the SyncroPatch 384PE (Nanion Technologies) high throughput patch clamp platform at rt and used medium resistance chips with 4 patch holes per site. hERG-expressing Chinese hamster ovary K1 (CHO) cell line were used in assay-ready format and kept in liquid nitrogen until use. 2 vials of cells (10×106 cells per vial) were thawed and added to 20 mL Hepes-buffered saline solution (HBSS). HBSS comprised 140 mM NaCl, 4 mM KCl, 10 mM HEPES and 5 mM Glucose (pH 7.4). The internal patch clamp solution was KF 120 mM, KCl 20 mM, HEPES 10 mM, EGTA 10 mM, and 25 &#956;M Escin (pH7.2). After the initial sealing process was complete, a seal enhancer solution comprising HBSS supplemented with 10 mM CaCl2 and 1 mM MgCl2 was applied to cells. The external solution was then exchanged (4 times) for external patch clamp solution comprising NaCl 80 mM, KCl 4 mM, HEPES 10 mM, CaCl2 2 mM, MgCl2 1 mM, glucose 5 mM, and NMDG 60 mM (pH 7.4). All solutions were stored at rt, except Escin, which was stored at 4° C. All compounds were dispensed in greiner-bio 384 well plates and tested in a 6 point cumulative assay (final DMSO concentration 0.33%). Only wells that passed acceptance criteria (30 MegaOhm seal resistance, Z prime >0.4 and current size >0.2 nA) were used in this analysis.
12014	1	In Vitro OGG1 Activity Assay	OGG1 activity is assayed by measuring the increase in fluorescence from a duplex oligonucleotide containing an OGG1 substrate and a fluorophore in close proximity that are quenched by a quencher on the complementary strand. One single-stranded DNA oligonucleotide with the sequence 5&#8242;-FAM-TCTG CCA 8CA CTG CGT CGA CCT G-3&#8242; (SEQ ID NO 1) is annealed to a 25% surplus of 5&#8242;-CAG GTC GAC GCA GTG CTG GCA GT-Dab-3&#8242; (SEQ ID NO 2), where 8 signifies 8-oxo-2&#8242;deoxyadenosine and FAM and Dab signify fluorescein and dabcyl, respectively. OGG1 activity releases the substrate base from DNA by cleaving the N-glycosidic bond between base and deoxyribose. The resulting apurinic site is cleaved by an excessive amount APEX1 activity which cause the duplex to melt, which in turn cause the fluorophore to become unquenched. Compounds to be tested are dissolved in DMSO and nano-dispensed directly into black 384-well plates, followed by transfer of enzyme and substrate solutions. Enzyme and DNA substrate solutions are added so that the assay mixture contains final concentrations of 25 mM Tris-HCl pH 8.0, 15 mM NaCl, 2 mM MgCl2, 0.5 mM DTT and 0.0025% Tween-20, 800 pM OGG1 enzyme, 2 nM human APEX1 and 10 nM 8-oxoA:C substrate. The fluorescent signal is recorded in a plate reader equipped with suitable filters to register fluorescein fluorescence. 
12015	1	TR-FRET assay	No details are given in this patent.
12017	1	Kinetic Labeling Experiments of Ibrutinib Derivatives with BTK	BTK kinase domain was expressed and purified as previously reported65. Binding experiments were performed in Tris 20 mM pH=8, 50 mM NaCl, and 1 mM DTT. BTK kinase domain was diluted to 2 &#956;M in the buffer, and 2 &#956;M Ibrutinib derivatives were added by adding 1/100th volume from a 200 &#956;M solution. The reaction mixtures, at room temperature for various times, were injected into the LC/MS. For data analysis, the raw spectra were deconvoluted using a 20000:40000 Da window and 1 Da resolution. The signal from masses 20000:30000 and 33000:40000 (which contained no peaks) was averaged and subtracted from the whole signal. The peaks of each species were integrated using a 100 Da window in every direction (reducing the window down to 10 Da did not change the results significantly).
12018	1	Assay of Full-Length SHP2 Phosphatase Activity Assay	1. Reagents and MaterialsHuman full-length SHP2 recombinant protein: BPS Bioscience, Cat #79018;SHP2 substrate DiFMUP (1 mM): BPS Bioscience, Cat #79769;SHP2 activating peptide (100 &#956;M): BPS Bioscience, Cat #79319-2;DTT: Merck, Cat #DTT-RO;384-well plate: Corning, Cat #3575;96-well plate: Thermo Fisher Scientific, Cat #249952;Instrument: EnVision 2104, PerkinElmer.2. Preparation of Reaction SolutionsThe test compound was dissolved in DMSO and diluted with DMSO to 100.0 &#956;M, and the compound was further 3-fold diluted with DMSO to: 100.00, 33.33, 11.11, 3.70, 1.23, 0.41, 0.14 and 0.05 &#956;M. Then 4 &#956;L of the compound at different dilution concentrations was added to 96 &#956;L of an enzymatic reaction buffer to prepare a 4× test compound, wherein DMSO was at the concentration of 4% (DMSO was at the final concentration of 1%).Preparation of 1× enzymatic reaction buffer: the 5× reaction buffer (250 mM HEPES, 500 mM NaCl, 2.5 mM EDTA, 0.005% Brij-35 and 0.01% BSA, pH 7.2) was diluted 5-fold with deionized water, and then DTT was added thereto so that the 1× enzymatic reaction buffer contained 5 mM DTT.Preparation of 4× mixed solution of SHP2 enzyme/activating peptide: the SHP2 enzyme (75.5 nM) and activating peptide (100 &#956;M) were diluted with the enzymatic reaction buffer to prepare a 4× mixed solution of SHP2 enzyme/activating peptide (0.12 nM SHP2 and 2 &#956;M activating peptide), so that the SHP2 enzyme and activating peptide were at the final concentrations of 0.03 nM and 0.5 &#956;M in the enzymatic reaction system, respectively.Preparation of 2×DiFMUP substrate: 1 mM DiFMUP was diluted 100-fold with the enzymatic reaction buffer to prepare a 2× substrate (10 &#956;M), so that the substrate DiFMUP was at the final concentration of 5 &#956;M in the enzymatic reaction system.
12019	1	In Vitro PDHK1 Activity Assay	The inhibitory potency of compounds of PDHK1 activity was determined in an enzymatic assay. Pyruvate dehydrogenase complex (PDHc) is an enzyme that catalyzes the reaction of pyruvate and a lipoamide to give the acetylated dihydrolipoamide and carbon dioxide. PDHc has three subunits E1, E2 and E3. E1 has 3 serine phosphorylation sites S293, S232, S300. If E1 was phosphorylated, PDH will be inactivated. PDHK can phosphorylate PDH protein (also named PDHE1) in PDH complex (PDC) to inactivate it. In the PDHK1 enzymatic assays, the final reaction mixture contains 1 nM of PDHK1 (in house purification from Escherichia coli), 25 nM of PDHE1 (in house purification from Escherichia coli) and 20 &#956;M of ATP, and the experiment was reacted at 30° C. for 45 minutes. After adding detection reagent AlphaScreen Histidine (Nickel Chelate, from Perkin Elmer), and anti-phosphorylation s-293 antibody (from Abcam), Anti-Rabbit IgG Alpha (from Perkin Elmer)), the plate was incubated at 30° C. for 60 min before measuring the light change using a luminometer (Envision).
12020	1	DGAT2 Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product 13C18-triolein (13C-1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in ABgene 384-well assay plates in a final volume of 25 &#956;L at rt. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 &#956;M of diolein, 5 &#956;M of 13C oleoyl-CoA and 8 ng/&#956;L of DGAT2 membrane.
12021	1	Radiometric Assay	TBD
12022	1	Menin-MLL In Vitro Inhibitory Activity	Each compound was diluted to a final concentration of 5 mM in DMSO. 15 ml Falcon tubes were used for making the dilution. These 5 mM stocks were stored in 2 ml light-protective Eppendorf tubes in multiple 50 ul aliquots to prevent repeated freeze-thaw of the entire stock.The following concentrations were decided for each compound: 0.01 uM, 0.03 uM, 0.1 uM, 0.3 uM, 0.5 uM, 1 uM, 3 uM and 5 uM.First, 2× working stocks for each desired concentration were made using the standard RPMI 10% FBS medium as the diluent.Specifically, working stocks of 0.02 uM, 0.06 uM, 0.2 uM, 0.6 uM, 1 uM, 2 uM, 6 uM and 10 uM (2× of the desired concentrations mentioned above) were made from the 5 mM stock (see note at the bottom for more details).100 ul of each working stock dilution was added to the respective well containing 100 ul of plated cells, thereby achieving a 1× drug concentration. A similar strategy was used for the DMSO control arm.
12023	1	Evaluation of PLK1 Kinase Activity In Vitro	The 33P isotope-labeled kinase activity assay (Reaction Biology Corp) was used to determine the IC50 value to evaluate the inhibitory ability of the test compound to human PLK1 protein kinase.Buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOTest steps: At room temperature, the compounds to be tested were dissolved in DMSO to prepare a 10 mM solution for use. The substrate Casein was dissolved in a freshly prepared buffer (with a final concentration of 20 &#956;M), and the tested PLK1 kinase (with a final concentration of 12 nM) was added thereto and mixed well. The acoustic wave pipetting system Echo 550 was used to add the mother solution of the test compound dissolved in DMSO to the above mixed reaction mixture according to the set final concentration gradient (the highest final concentration was 1 &#956;M, 3-fold dilution, 10 gradients). After incubation at room temperature for 20 minutes, 33P-ATP (30 &#956;M) was added, and after incubation at room temperature for 120 minutes, the reaction mixture was spotted on P81 ion exchange filter paper (Whatman #3698-915). After the filter paper was repeatedly washed with 0.75% phosphoric acid solution, the radioactivity of the phosphorylated substrate remaining on the filter paper was measured.
12024	1	Inhibitory Effect of Compounds on the Replication of Novel Coronavirus	Determining the inhibitory activity of compounds of the present invention on the replication of 2019 novel coronavirus (SARS-CoV-2): Vero E6 cells were purchased from ATCC, and SARS CoV-2 virus was derived from Microbiological Culture Collection Center of National Virus Resource Center. Vero E6 cells were cultured overnight at a density of 5 104 cells/well in a 48-well cell culture plate. The cells were pretreated with different concentrations of the compound of the invention for 1 hour. Then, the virus was added at multiplicity of infection (MOI) of 0.05. One hour later, the mixture of virus and compound was removed, and cells were treated with fresh medium containing the compound of the invention. At 24 h p.i., cell supernatant was collected and lysed in lysis buffer. Virus copy number in cell supernatant was quantitatively determined by quantitative real-time RT-PCR (qRT-PCR). The results showed that at the concentration of 10 &#956;M or 5 &#956;M, many compounds significantly inhibited the replication of SARS-CoV-2 compared with the control group, with the inhibition rate was >99N against novel coronavirus.
12025	1	Biochemical CD73 Assay	Activity of recombinant CD73 was measured by quantification of free phosphate using the Malachite Green detection system (R&D Systems #DY996). Test compounds were solubilized in DMSO and dispensed into 384-well polystyrene plates in a 8-point 3× titration in duplicates. Then, 10 &#956;L of 4 nM human CD73 enzyme (Novoprotein #C446) in phosphate- free assay buffer (10 mM HEPES, pH 7.4, 125 mM NaCl, 1 mM KCl, 10 mM glucose, 2 mM MgCl2) was added to the plates. The compound and enzyme were incubated for 15 min at RT. Then, 10 &#956;L of 80 &#956;M AMP (Sigma Aldrich #A1752) in the assay buffer was added and the reaction mixture was incubated for 45 mM at 37° C. The final concentrations of CD73 and AMP in the reaction were 2 nM and 40 &#956;M, respectively. The reaction was stopped by adding 5 &#956;L of Malachite Green reagent A and incubating for 10 mM at RT, followed by addition of 5 &#956;L of Malachite Green reagent B and incubation for 20 mM at RT. Absorbance was then read at 620 nM with the Flexstation spectrophotometer (Molecular Devices).
4657	1	Biochemical Assay	TBD
12016	1	Biochemical CD73 Assay	Activity of recombinant CD73 was measured by quantification of free phosphate using the Malachite Green detection system (R&D Systems #DY996). Test compounds were solubilized in DMSO and dispensed into 384-well polystyrene plates in a 8-point 3× titration in duplicates. Then, 10 &#956;L of 4 nM human CD73 enzyme (Novoprotein #C446) in phosphate-free assay buffer (10 mM HEPES, pH 7.4, 125 mM NaCl, 1 mM KCl, 10 mM glucose, 2 mM MgCl2) was added to the plates. The compound and enzyme were incubated for 15 min at RT. Then, 10 &#956;L of 80 &#956;M AMP (Sigma Aldrich #A1752) in the assay buffer was added and the reaction mixture was incubated for 45 min at 37° C. The final concentrations of CD73 and AMP in the reaction were 2 nM and 40 &#956;M, respectively. The reaction was stopped by adding 5 &#956;L of Malachite Green reagent A and incubating for 10 min at RT, followed by addition of 5 &#956;L of Malachite Green reagent B and incubation for 20 min at RT. Absorbance was then read at 620 nM with the Flexstation spectrophotometer (Molecular Devices).
12026	1	Biological Assay	The assay used to measure the in vitro activity of MGL is adapted from the assay used for another serine hydrolase (FAAH) described in Wilson et al., 2003 (A high-throughput-compatible assay for determining the activity of fatty acid amide hydrolase. Wilson S J, Lovenberg T W, Barbier A J. Anal Biochem. 2003 Jul. 15; 318(2):270-5). The assay consists of combining endogenously expressed MGL from HeLa cells with test compounds, adding [glycerol-1,3-3H]-oleoyl glycerol, incubating for one hour, and then measuring the amount of cleaved [1,3-3H]-glycerol that passes through an activated carbon filter. The amount of cleaved, tritiated glycerol passing through the carbon filter is proportional to the activity of the MGL enzyme in a particular well/test condition.Standard conditions for this assay combine 300 nM [Glycerol-1,3-3H]-oleoyl glycerol with human MGL from HeLa cells and test compounds for one hour, after which the reaction is filtered through activated carbon and tritium is measured in the flow through. The test compound concentration in screening mode is 10 &#956;M, while the highest compound concentration in IC50 assays is determined empirically. 
12027	1	Adenosine Receptor Activity Assay	The activity of the present compounds was evaluated using the GloSensor cAMP assay, which is a new non-radioactive method offering a simple approach to monitor GPCR activity through changes in the intracellular cAMP concentration. This assay uses a mutant form of Photinus pyralis luciferase into which a cAMP-binding protein moiety has been inserted. The binding with cAMP triggers a biosensor conformational change that leads to an increase of light output allowing to evaluate the activity of ligands at the receptor under study. Following pre-equilibration with a substrate, cells stably expressing both the receptor of interest and the biosensor can be used to evaluate GPCR function enabling easy kinetic measurements of cAMP accumulation or turnover in living cells. In particular, the binding affinity is expressed in Ki and the antagonistic activity in IC50.
12028	1	Inhibitory Activity Assay	The composition of the assay buffer used for the activity measurement was as follows: 50 mM Tris-HCl (pH 7.5), 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, 0.1% BSA, and 1 mM DTT. Herein, an enzyme reaction was performed using a peptide substrate labeled with ATP at the concentration of 1 mM and biotin at the concentration of 0.5 &#956;M. The analysis of the EGFR activity inhibitory effect of the compound was performed according to the following analytical reaction recipe.Component 1: 4 &#956;l of EGFR mutant enzymeComponent 2: 2 &#956;l of compound solutionComponent 3: 4 &#956;l of ATP and biotin-labeled peptide mixtureThe enzyme reaction was initiated by mixing the component 1 and the component 2 first and then adding the component 3 thereto. After reacting the mixture at 37° C. for 2 hours, 10 &#956;l of a measurement solution consisting of streptavidin-XL665 and europium-labeled anti-phosphotyrosine antibody provided by Cisbio was added to the enzyme reaction solution, followed by reaction at room temperature for 1 hour. Finally, the ratio of the fluorescence values at 615 nm and 665 nm was calculated using Envision equipment of Perkin-Elmer to quantitatively measure the enzyme activity and confirm the inhibitory ability of the compound. The values measured at 7 concentrations of the compound were analyzed using Prism program (version 5.01, Graphpad Software, Inc.), and the IC50 value, an index of the inhibitory ability of the compound, was calculated.
12029	1	AlphaScreen Assay	Protein-protein interaction inhibition (PPI) between Kras and SOS1 was measured by energy transfer from nickel-conjugated donor beads to streptavidin-conjugated acceptor beads using biotin-tagged human Kras expressed in E. coli and loaded with GDP after purification and His-tagged human SOS1 enzyme. This measurement utilizes the phenomenon in which donor beads are irradiated with light at 680 nm, such that energy is transferred to acceptor beads through singlet oxygen and light at 520-620 nm is detected from the acceptor beads. The 50% inhibitory concentration (IC50 value) was calculated from the inhibition rate relative to the test substance-free control group. IC50 values of the test compounds are shown in the following table. The cyclic peptide compounds disclosed herein were shown to inhibit the protein-protein interaction between Kras and SOS1. Inhibition of binding between K-ras and SOS1 is known to inhibit signaling downstream of Kras. 
12030	1	BINDING INHIBITION ACTIVITY EVALUATION TEST	Coat the 96-well microplate (Costar) with 50 &#956;L of recombinant human MAdCAM-1 (R&D Systems) solution per well, and incubate overnight (12-18 hours) at 4° C. Wash three times with 150 &#956;L of TBS buffer per well. Block plate with 150 &#956;L per well with blocking buffer for 1 h at 37° C. Wash three times with 150 &#956;L of TBS buffer per well. Dilute the recombinant human integrin &#945;4&#946;7 (R&D Systems) with TBS buffer containing 0.1% bovine serum albumin (BSA), then add to the 96 well plate with 50 &#956;L per well. Add 1 &#956;L of test compound or DMSO, cover, incubate at room temperature for 2 h, wash three times with 150 &#956;L of TBS buffer per well. Dilute the anti-&#946;7 antibody (R&D Systems) with 0.1% BSA TBS buffer, then add to the 96 well plate with 50 &#956;L per well, cover, incubate at room temperature for 1 h, wash three times with 150 &#956;L of TBS buffer per well. Add 50 &#956;L of streptavidin-HRP (R&D Systems) per well, incubate at room temperature for 20 min, wash three times with 150 &#956;L of TBS buffer per well. Add 50 &#956;L of TMB substrate solution (Sigma) per well, incubate at room temperature for 5-30 min, and add 25 &#956;L of stop solution per well to stop the reaction. Finally, measure absorbance at 450 nm with microplate reader (SpectraMax 340PC. Molecular Devices). Repeat the test to find the binding rate of cells at each concentration when the absorbance of the well without the test substance is used as 100%, and calculate the concentration IC50 that causes 50% binding inhibition.
12031	1	Method A: Inhibition of Mcl-1 by the Fluorescence Polarisation Assay	The relative binding potency of each compound was determined via Fluorescence Polarisation (FP). The method utilised a Fluorescein labelled ligand (Fluorescein-&#946;Ala-Ahx-A-REIGAQLRRMADDLNAQY-OH; MW 2,765) which binds to the Mcl-1 protein (such that Mcl-1 corresponds to the UniProtKB primary accession number: Q07820) leading to an increased anisotropy measured in milli-polarisation (mP) units using a reader. The addition of a compound which binds competitively to the same site as the ligand will result in a greater proportion of unbound ligand in the system indicated by a decrease in mP units.An 11 point serial dilution of each compound was prepared in DMSO and 2 &#956;l transferred into flat bottomed, low binding, 384-well plate (final DMSO concentration 5%). 38 &#956;l of buffer containing the Fluorescein labelled ligand (final concentration 1 nM) and Mcl-1 protein (final concentration 5 nM) was then added. Buffer components were 10 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid [HEPES], 150 mM NaCl, pH 7.4 with the addition of 0.05% Tween 20.Assay plates were incubated for 2 hours at room temperature before FP was measured on a Biomek Synergy Neo reader (Ex. 528 nm, Em. 640 nm, Cut off 510 nm) and mP units calculated. The binding of increasing doses of test compound was expressed as a percentage reduction in mP compared to a window established between &#145;5% DMSO only&#146; and &#145;100% inhibition&#146; controls. 11-point dose response curves were plotted with XL-Fit software using a 4-Parameter Logistic Model (Sigmoidal Dose-Response Model) and the inhibitory concentrations that gave a 50% reduction in mP (IC50) were determined.
12031	2	Method B: Inhibition of Mcl-1 by the Fluorescence Quenching Assay	The addition of a compound which binds competitively to the same site as the peptide will result in an increase in the fluorescence intensity of the protein due to displacement of the fluorescence quencher. An 11-point serial dilution of each compound was prepared in DMSO, the final buffer conditions were 10 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid [HEPES], 150 mM NaCl, 0.05% Tween 20, pH 7.4 and 5% DMSO. The final protein concentration in the assay was 1 nM with the peptide present at 10, 20 or 400 nM. The experiments were incubated for 2 hours at room temperature before fluorescence intensity was measured on a Biotek SynergyNeo plate reader (Excitation 620 nm, emission 680 nm). The dose response curves were plotted with XL-Fit software using a 4-Parameter Logistic Model (Sigmoidal DoseResponse Model) and the inhibitory concentrations that gave a 50% increase in fluorescence intensity was determined (IC50). The Ki values were determined from the IC50 values according to Cer et al, Nucleic Acids Res, 2009, 37 (WebServer issue): W441-W445. Inhibition constants (Ki) are determined from complete binding inhibition curves (cKi) or from estimated from incomplete binding inhibition curves (eKi) in most cases due to low activity.
12032	1	Fluorescence Polarization TTR Tetramer Binding Assay	Compound binding to TTR was assessed in the fluorescence polarization assay. The assay measured competitive displacement of the fluorescent probe, FITC-diclofenac, from TTR isolated from human plasma (Clabiochem-Millipore, cat. No. 52957). FITC-diclofenac was synthesized at LeadGen Labs, LLC. Each well contained 200 nM TTR and 100 nM FITC-diclofenac in the FP buffer (10 mM Tris-HCl pH 7.5, 150 mM NaCl, 0.01% CHAPS, 0.01% Prionex) along with test compounds. Nonspecific binding was determined in the presence of 500 &#956;M unlabeled diclofenac (Sigma-Aldrich). Reactions with test compounds were incubated overnight at 4° C. and FP was measured on SpectramaxM5e plate reader (Molecular Devices).
12032	2	Scintillation Proximity (SPA) Assay	In vitro binding of compounds to RBP4. Compound binding to RBP4 was assessed in the radiometric scintillation proximity (SPA) assay that was previously described (Cioffi, C. L. et al. 2014; Cioffi, C. L. et al. 2015; Cioffi, C. L. et al. 2020). The assay measured competitive displacement of radiolabeled [3H]-all-trans-retinol from native RBP4 purified from human urine (Fitzgerald, 30R-AR022L). The protein was biotinylated using the EZ-link Sulfo-NHS-LC-Biotinylation kit from ThermoFisher (Cat #21335) as recommended by the manufacturer. Binding assays were implemented in a final volume of 100 &#956;L in SPA buffer (1×PBR, pH 7.4, 1 mM EDTA, 0.1% BRA, 0.5% CHAPS). The assay reaction included a radioligand, 10 nM [3H]-all-trans-retinol (48.7 Ci/mmol; PerkinElmer, Waltham, MA), along with the 0.3 mg/well Streptavidin-PVT beads (PerkinElmer, RPNQ0006) and 50 nM biotinylated human RBP4. Unlabeled retinol (Sigma, cat # 95144) at 20 &#956;M was added to control wells to assess a nonspecific binding. Radioactivity counts were measured using CHAMELEON plate reader (Hidex Oy, Turku, Finland) after 16 h of incubation at rt with mild shaking.
12033	1	In Vitro Assay	Human recombinant HDAC family proteins with His and GST tags were expressed using insect baculovirus expression system, and a biologically active HDAC family recombinant protein was obtained through Ni affinity column protein purification. HTRF detection method was used with H3(1-21) K9Ac biotin as the substrate. HDAC protein, gradient diluted compounds and the substrate were added to a white 384-well flat-bottomed microplate (ProxiPlate-384 Plus, PerkinElmer) and reacted for 1 hour, and a mixture of Eu labeled H3K9 antibody and XL665 labeled streptavidin were added and equilibrated for 0.5 hours at room temperature. By using the principle of HTRF, time-resolved fluorescence at 615 nm and 665 nm was detected using a microplate reader, and the ratio therebetween was calculated, and the corresponding enzyme activity inhibition rate was calculated by using GraphPad for analysis. Briefly, 20 &#956;l of the activity testing system included the HDAC substrate (0.2 &#956;M. 4 &#956;l), the Human Recombinant Protein HDAC (2-5 ng)/&#956;l. 4 &#956;l), the compound (2 &#956;l), a mixture (10 &#956;l) of Eu labeled H3K9 antibody and XL665 labeled streptavidin, and all components were diluted with Tris buffer (50 mM Tris-HCl, pH 8.0, 137mM NaCl, 2.7 mM KCl, and 1 mM MgCl2).
12034	1	MALT1 Inhibition Assay	The standard reagent formulations used in this assay were prepared and stored as follows. A 1.1 M solution of sodium citrate (161.3 g, 500 mL) was prepared and stored at room temperature. A 10% (w/v) CHAPS solution (2.0 g, 20 mL) was prepared and stored at 4 C. A 500 mM HEPES solution having pH of 6.89 was prepared from 200 mL of a 1 M HEPES solution having a pH of 7.5 using concentrated hydrochloric acid and brought to a final volume of 400 mL with MILLI-Q H2O. The substrate, 10 mM Ac-LRSR-AMC Peptide, was prepared (10 mg, 1.370 mL DMSO) and stored at &#8722;20 C.[1801]Compounds were plated to provide a 2% DMSO final concentration using a ProxiPlate-384 Plus F Black 384-shallow well microplate. The assay-ready plates were equilibrated to room temperature. A reaction buffer (30 mL total volume) was prepared by combining HEPES (pH 6.89, 25 mM, 1.5 mL), sodium citrate (660 mM, 18.0 mL), T-CEP (1 mM, 0.06 mL), EDTA (0.1 mM, 0.06 mL), CHAPS (0.05%, 0.15 mL), DMSO (2%, 0.6 mL), and MILLI-Q H2O (10.23 mL; 9.63 mL when backfilled to 2% DMSO) followed by thorough mixing. DMSO was added only when compound plates had not been DMSO-backfilled to 2%.[1802]MALT-1 was thawed and kept on ice. Peptide substrate was thawed on the bench under ambient conditions. A MALT-1 enzyme working stock was prepared from Avi-tagged FL MALT-1 (40 nM in a prepared reagent volume of 16.5 &#956;L) and the reaction buffer (13.0 mL). MALT1 working stock (5 &#956;L) was added to each well of the microplate. MALT-1 was pre-incubated with compounds for 30 minutes at room temperature.Two substrate working stocks (Km and 10 Km) were prepared. The 1 Km substrate was prepared from Ac-LRSR-AMC Peptide (50 &#956;M in a prepared reagent volume of 35.0 &#956;L) and the reaction buffer (6.965 mL). The 10 Km substrate was prepared from Ac-LRSR-AMC Peptide (280 &#956;M in a prepared reagent volume of 196.0 &#956;L) and the reaction buffer (6.804 mL). The reaction was initiated by the addition of substrate working stock (5 &#956;L, 50 &#956;M) to Km plates and the addition of substrate working stock (5 &#956;L 280 &#956;M) to 10 Km plates. The plates were covered and incubated on the bench at room temperature for 90 minutes.Fluorescence intensity was determined using a CLARIOstar microplate reader (BMG LABTECH) using the optimised AMC mode. Before taking readings, a 70% gain was applied on the neutral control well.
12035	1	HSD17B13 Inhibition Assay	HSD17B13 uses the oxidized form of nicotinamide adenine dinucleotide (NAD+) as a cofactor during metabolism of beta-estradiol (substrate), converting NAD+ to the reduced form (NADH) and beta-estradiol to its product (estrone). Estrone production is quantified by LCMS, and used as a measure of HSD17B13 enzyme activity.HEK-cells stably expressing wild type human HSD17B13 were plated at 10,000 cells/well in 50 &#956;L growth media (DMEM containing 10% heat inactivated FBS, 400 &#956;g/ml geneticin, 1× L-Glutamine, and 1× Non-essential amino acids, Invitrogen 11965-092, 16140-071, 10131-027, 25030-081, 11140-050), into poly-D-lysine-coated 384-well plates (Corning Biocoat, 354663), and incubated overnight (with lid) at 37° C. (95% O2: 5% CO2). Following overnight incubation, intermediate compound plates (Greiner, 781280) containing 160 nL of 375×FAC test compound which had been serial diluted 1 in 3.162 in 100% DMSO for an 11 point concentration response curve, with duplicate points at each concentration, were diluted 1 in 187.5 with 30 &#956;L warmed assay media (DMEM, 1× L-Glutamine, and 1× Non-essential amino acids) to give 2×FAC compound (80 &#956;M top concentration) in 0.53% DMSO. Growth media was then removed from the cell plates and replaced with 10 &#956;L of 2×FAC test compound, and incubated for 1 hour (with lid) at 37° C. (95% O2: 5% CO2), before the addition of 25 &#956;M FAC beta-estradiol in assay media/0.2% DMSO. The reaction was incubated for 2 hours (with lid) at 37° C. (95% O2: 5% CO2), after which 10 &#956;L of reaction was transferred from assay plate to a new 384-well deep-well plate (Matrix 4325) and diluted 1 in 10 with 90 &#956;L of stop reagent (50% methanol in water containing internal standard 17b-estradiol-2,3,4-13C3). Amount of product (estrone) was then quantified by LCMS. Data expressed as product area ratio (PAR) were then normalized to control wells using Activity Base (IDBS). 
12036	1	DPP1 Enzyme Activity Assay	Experimental Methods:1× activation buffer: 5 mM DTT 0.01% (V/V) Triton X-100 (preparation for current use);1× assay buffer: 50 mM NaCl 5 mM DTT 0.01% (V/V) Triton X-100 (preparation for current use);1× activation buffer was used to dilute recombinant human cathepsin C/DPP1 enzyme and recombinant human cathepsin L (rhCathepsin L) enzyme to concentrations of 2 ng/&#956;L and 0.4 ng/&#956;L, respectively; equal volume of two working solutions of enzyme was taken, mixed well and incubated at 25° C. for 60 minutes;the compounds to be tested were 5-fold diluted with a multi-channel pipette to the 8th concentration, i.e., diluted from 1 mM to 12.8 nM. Then 1× experimental buffer was used to dilute each compound to be tested by gradient into a 4% DMSO working solution. The working solution was added to corresponding wells for 5 &#956;L/well, and duplicate experiment was set. The mixture was centrifuged at 1000 rpm for 1 minute;5 &#956;L/well of the enzyme mixture after incubation was taken and added to the white microwell plate. At this time, the amount of DPP1 enzyme in each well was 5 ng; 1× experimental buffer in 5 &#956;L/well was added to the blank control well;Gly-Arg-AMC (hydrochloride) was diluted to 25 &#956;M with 1× assay buffer. The diluted mixture in 10 &#956;L/well was added to a white microwell plate. The substrate concentration was 12.5 &#956;M at this time, and the microplate was centrifuged in a centrifuge at 1000 rpm for 1 minute. The concentration of the compound decreased from 10 &#956;M to 0.128 nM. After centrifugation, the microplate was covered with membrane and incubated at 25° C. for 60 minutes;after incubation, fluorescence detection was performed using a multi-label analyzer with an excitation wavelength of 360 nm and an emission wavelength of 460 nm.
12037	1	Biochemical Time Resolved Fluorescence Assay	 Briefly, CBP inhibitors were pre-dispensed into 1536 assay plates for a final test concentration of 33 &#956;M to 1.7 nM. Protein and Ligands were added to the compound to a final concentration of 2.5 nM CBP or BRD4 (N terminal GST-CREBBP (1081-1197), BRD4 tandem domains) and 25 nM Tetra-Acetylated H3 peptide Plates and incubated for 4 h. Data were reported as percent inhibition compared with control wells. IC50 values were determined by curve fitting of the standard 4 parameter logistic fitting algorithm. In these conditions, Compound 1 was determined to be a potent inhibitor of CBP with an IC50<2 nM (N=16).
12038	1	PIKfyve Biochemical Assay	The biochemical PIKFyve inhibition assays were run by Carna Biosciences according to proprietary methodology based on the Promega ADP-Glo Kinase assay. A full-length human PIKFYVE [1-2098(end) amino acids and S696N, L9325, Q995L, T998S, 51033A and Q1183K of the protein having the sequence set forth in NCBI Reference Sequence No. NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKFYVE was purified by using glutathione sepharose chromatography and used in an ADP-Glo Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4 final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADPGlo reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 &#956;M to 3 nM. Data was analyzed by setting the control wells (+PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration vs % inhibition curves by fitting to a four-parameter logistic curve.
12039	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)	Using human recombinant KRAS G12D, SOS and c-Raf proteins, the inhibitory activity of subject compounds on the complex formation of the proteins was examined by a time-resolved fluorescence resonance energy transfer (TR-FRET) method.Biotinylated AviTag-KRAS G12D (amino acid region of 1-185, GDP) (2.5 &#956;L; 400 nM) and subject compounds dissolved in an assay buffer (50 mM HEPES, 150 mM NaCl, 5 mM MgCl2, 0.05% Tween 20, pH 7.0) were added to a 384-well plate (from Corning) in a liquid volume of 2.5 &#956;L at 40,000 nM to 40 nM. Son of Sevenless (SOS) (amino acid region of 564-1049, 2.5 &#956;L; 1.3 &#956;M) and c-Raf (amino acid region of 51-131) GST (2.5 &#956;L; 130 nM) containing GTP (from Sigma-Aldrich; 2 &#956;M) were added to the plate, and the plate was allowed to stand for 1 hour at room temperature. Then, a mixture liquid (10 &#956;L) of LANCE Ulight-anti-GST (from PerkinElmer; 120 nM) and LANCE Eu-W1024 labeled Streptoavidin (from PerkinElmer; 100 ng/mL) was added, and the 620-nm and 665-nm fluorescence intensities were measured using EnVision 2104 (from PerkinElmer) under the conditions of an excitation wavelength of 337 nm. After standardizing the values with the fluorescence intensity at a reference wavelength of 620 nm, the 50% inhibitory concentrations (IC50) were calculated by Sigmoid-Emax model nonlinear regression analysis with the signaling value in treatment with the solvent taken as 0% inhibition and with the signaling value without the addition of GTP taken as 100% inhibition. 
12040	1	JAK3 Activity Inhibitory Assay	In the kinase reactions, fused proteins (6His tag-fused hJAK3 kinase domain (aa781-end)) which were coexpressed in Sf21 cells and purified by Ni2+/NTA agarose were used. The kinase reactions were initiated by the addition of the following solutions of (a) to (c) to 96-well half-area white plates (plates, Corning Incorporated 3642).(a) 5 gmol/L TK substrate-biotin (cisbio) diluted by kinase buffer (50 mmol/L 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (pH 7.0)), 0.02% sodium azide, 0.1 mmol/L sodium vanadate, 5 mmol/L magnesium chloride, 1 mmol/L dithiothreitol, 0.01% bovine serum albumin), 25 &#956;mol/L ATP, 250 nmol/L Supplement Enzymatic buffer (cisbio) solution: 10 &#956;L/well(b) Test-article solution prepared by using kinase buffer containing 5% dimethylsulfoxide: 10 &#956;L/well(c) 33 ng/mL hJAK3 enzyme diluted by kinase buffer: 30 &#956;L/wellA well in which ATP was not added was set out as a blank well.Plates were let stand at room temperature for 10 minutes from starting reactions.To the plates were added 50 &#956;L/well of a buffer for detection containing TK-Antibody-Cryptate (5 tests/50 &#956;L) and streptoavidine-addition XL665 (62.5 nmol/L) reagent (50 mmol/L 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (pH 7.0), 20 mM EDTA, 800 mmol/L potassium fluoride, 0.1% bovine serum albumin).One hour after the addition of the buffer for detection, fluorescence counts of each well were measured by a fluorescence microplate reader. Specifically, fluorescence counts in 620 nm excited in 337 nm, and fluorescence counts in 665 nm excited by fluorescence in 620 nm were measured.Ratio of each well was calculated from measured fluorescence counts (fluorescence counts in 665 nm/fluorescence counts in 620 nm×10000).Data were obtained by deducting the average Ratio of a blank well from Ratio of each well. IC50 values of test articles were calculated from % of control values of 2 doses before as well as after 50% in 100% as % of a control value of a solvent control. % Inhibition of either 0.1 &#956;mol/L or 1 &#956;mol/L (100-% of control values) was also calculated.
12040	2	JAK2 Activity Inhibitory Assay	In the kinase reactions, fused proteins (6His tag-fused hJAK2 kinase domain (aa808-end)) which were coexpressed in Sf21 cells and purified by Ni2+/NTA agarose were used. The kinase reactions were initiated by the addition of the following solutions of (a) to (c) to 96-well half-area white plates (plates, Corning Incorporated 3642).(a) 5 gmol/L TK substrate-biotin (cisbio) diluted by kinase buffer (50 mmol/L 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (pH 7.0)), 0.02% sodium azide, 0.1 mmol/L sodium vanadate, 5 mmol/L magnesium chloride, 1 mmol/L dithiothreitol, 0.01% bovine serum albumin), 100 mol/L ATP, 250 nmol/L Supplement Enzymatic buffer (cisbio) solution: 10 &#956;L/well(b) Test-article solution prepared by using kinase buffer containing 5% dimethylsulfoxide: 10 &#956;L/well(c) 7 ng/mL hJAK2 enzyme diluted by kinase buffer: 30 &#956;L/wellA well in which ATP was not added was set out as a blank well.Plates were let stand at room temperature for 10 minutes from starting reactions.To the plates were added 50 &#956;L/well of a buffer for detection containing TK-Antibody-Cryptate (5 tests/50 &#956;L) and streptoavidine-addition XL665 (62.5 nmol/L) reagent (50 mmol/L 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (pH 7.0), 20 mM EDTA, 800 mmol/L potassium fluoride, 0.1% bovine serum albumin).One hour after the addition of the buffer for detection, fluorescence counts of each well were measured by a fluorescence microplate reader. Specifically, fluorescence counts in 620 nm excited in 337 nm, and fluorescence counts in 665 nm excited by fluorescence in 620 nm were measured.Ratio of each well was calculated from measured fluorescence counts (fluorescence counts in 665 nm/fluorescence counts in 620 nm×10000).
12041	1	CDK Inhibition In Vitro Assay	Selected compounds disclosed herein were tested in kinase assays by Nanosyn (Santa Clara, CA) to determine their inhibitory effect on these CDKs. The assays were performed using microfluidic kinase detection technology (Caliper Assay Platform). The compounds were tested in 12-point dose-response format in singlicate at Km for ATP. Specifics of each assay are as described below:CDK1/Cyclin B1: Enzyme concentration: 0.08 nM; ATP concentration: 40 &#956;M; Incubation time: 3 hr.CDK2/Cyclin A: Enzyme concentration: 0.1 nM; ATP concentration: 50 &#956;M; Incubation time: 3 hr.CDK2/Cyclin E: Enzyme concentration: 0.15 nM; ATP concentration: 100 &#956;M; Incubation time: 3 hr.CDK4/Cyclin D1: Enzyme concentration: 1 nM; ATP concentration: 200 &#956;M; Incubation time: 3 hr.CDK6/Cyclin D3: Enzyme concentration: 2 nM; ATP concentration: 300 &#956;M; Incubation time: 3 hr.CDK9/Cyclin T1: Enzyme concentration: 5 nM; ATP concentration: 10 &#956;M; Incubation time: 17 hr.
12042	1	hERG Channel Inhibitory Activity Assay	The hERG channel inhibitory effect of the disclosed compounds was measured by a whole-cell patch clamp method using an autopatch clamp system using CHO cells wherein hERG channels involved in human rapidly activated delayed rectifier potassium current (IKr) were forcibly expressed.
12043	1	Inhibition Assays of Transporters (hSERT and rVMAT2)	hSERT and rVMAT2 fluorometric screening assays. For both hSERT and rVMAT2 screening experiments, respective singly transfected cells were seeded at a density of 0.09×106 cells/well in poly-D-Lysine (Alamanda Polymers, Inc.) coated white solid-bottom 96-well plates (Costar). Growth was permitted for approximately 44 hours in said aqueous media and at an incubation environment of 37° C. and 5% Carbon Dioxide. At the beginning of the experiment, the cellular growth solution was aspirated, and individual cells were rinsed with 150 &#956;L of 1×Dulbecco&#39;s Phosphate Buffered Saline (PBS; HyClone). 63 &#956;L of Experimental Media (consisting of the following contents: DMEM without phenol red but with 4.5 g/L of D-Glucose (Gibco), 1% (v/v) FBS (Atlanta Biologicals), 100 U/mL Penicillin (Gibco), and 10 &#956;g/mL Streptomycin (Gibco)) with 2×tiered concentrations of inhibitor (or DMSO, the vehicle of these experiments) were added to the respective wells. Control inhibitors used in these studies include Imipramine for hSERT experiments, and Reserpine for rVMAT2 experiments (Eiden, L. E. and Weihe, E. 2011; Sette, M. et al. 1983). At the conclusion of the pre-incubation period (60 minutes for hSERT experiments and 30 minutes for rVMAT2 experiments), 63 &#956;L of Experimental Media containing 2×various concentrations of tested inhibitor (or vehicle) along with a specified amount of fluorescent substrate, APP+(Karpowicz, R. J. et al 2013) (final concentration: 1.1 &#956;M for hSERT experiments) or FFN206 (Hu, G. et al. 2013) (final concentration: 0.75 &#956;M for rVMAT2 experiments) were added to the present solution contained within the wells. After a required incubation period (30 minutes for hSERT experiments and 60 minutes for rVMAT2 experiments) for proper fluorescent probe uptake, the contents of each well were aspirated and consequently, rinsed twice with 120 &#956;L of PBS. A final solution of 120 &#956;L of PBS is finally added to all corresponding wells for cell maintenance before undergoing fluorescence uptake reading by a BioTek H1MF plate reader. The excitation and emission wavelengths of APP+ were set at 389 and 442 nm, respectively. Alternatively, the excitation and emission wavelengths of FFN206 were designed at 370 and 464 nm, respectively.
12044	1	Enzyme Assay (Cruzain)	All enzyme assays were performed at 25° C. Initial rates of the peptidolytic reaction catalyzed by cruzain were measured by monitoring the fluorescence generated by cleavage of the dipeptide-AMC bond. Assays were conducted in 96-well plates (Greiner; flat-bottom, clear black plates) in a total volume of 250 &#956;L, containing either 50 mM MES (pH 7.5), 50 mM TAPSO, 100 mM DEA, 1 mM CHAPS, 1 mM Na2EDTA, 5 mM DTT, and 10% DMSO (v/v) or 50 mM sodium acetate (pH 5.5), 50 mM MES, 100 mM TEA, 1 mM CHAPS, 1 mM Na2EDTA, 5 mM DTT, and 10% DMSO (v/v). Substrates were dissolved in 100% DMSO and were then diluted 10-fold such that when added to reaction mixtures, final DMSO concentration was 10% (v/v). Reactions were initiated with the addition of 1-10 &#956;L of cruzain (final concentrations: 0.1-3.0 nM (preincubation studies)). Fluorescence was measured on either a SpectraMax M5 (Molecular Devices) or a Synergy HTX (BioTek, Winooski, VT) microplate reader (&#955;ex=360 nm, &#955;em=460 nm). Initial rates were determined from continuous kinetic time courses and calculated from the earliest time points, typically at less than 10 min.Compounds were evaluated as inhibitors or inactivators of cruzain in two ways: (1) enzyme was added to reaction mixtures containing the substrate (typically, 10 &#956;M Cbz-Phe-Arg-AMC) and inhibitor, and reaction time courses were measured for 0-40 min. In addition to other methods, the effects of all inhibitors on reaction rates were determined at t=0-200 s (vi) and at longer incubation times (t>1000 s; vs), to ascertain the respective inhibition constants Ki and Ki*. (2) Enzyme and compound were preincubated over extended periods of time, and then aliquots were removed and diluted 50-fold to 100-fold into reaction mixtures containing 10 &#956;M Cbz-Phe-Arg-AMC, followed by the assessment of the resulting time courses.
12045	1	MT1/MT2 Receptor Binding Assay	The test tubes were placed in a reaction condition of 25° C. 10 &#956;L of receptor membrane protein MT1 or MT2 was added to all the tubes. In non-specific binding tubes, 50 &#956;L of a corresponding unlabeled ligand Ago at a concentration of 104 M was added to a final concentration of 10 &#956;M, and pre-reacted for 30 minutes. In test tubes, 30 &#956;L of test drug (MT1: a concentration of 104-10&#8722;10 M, MT2: a concentration of 104-10&#8722;11 M) was added, respectively; all tubes were added with 40 &#956;L [3H]-Melotonin, respectively. The volume in all reaction tubes was made up to 300 &#956;L with Tris-HCl buffer (50 mM Tris-HCl, 1 mM EDTA, 5 mM MgCl2, 0.1 mM PMSF, 0.1% NaN3, pH 7.4); the reaction was carried out at 25° C. for 1 hour; the mixture was then spotted on a type 49 glass fiber filter paper, suction filtered under a vacuum, washed 3 times with 2 mL of ice-cold Tris-HCl buffer (50 mM Tris-HCl Buffer, 1 mM EDTA, 5 mM MgCl2, 0.1% NaN3, pH7.4), and dried with suction. The filter paper was taken out and dried by baking, and then placed in a scintillation bottle. 1 mL of the scintillation liquid was added, and the radioactive intensity was measured by a liquid scintillation counter.
12045	2	5-HT2C Receptor Binding Test	The test tubes were placed under a reaction condition of 25° C. 50 &#956;g of the receptor membrane protein 5-HT2C was added to all the tubes. In non-specific binding tubes, 50 &#956;L of a corresponding unlabeled ligand 5-HT at a concentration of 10&#8722;4 M was added to a final concentration of 10 &#956;M, and pre-reacted for 30 minutes. In test tubes, 30 &#956;L of test example compounds (a concentration of 104-10&#8722;10 M) were added, respectively. All the tubes were added with 40 &#956;L of [3H]-LSD (lysergic acid diethylamide), respectively. The volume in all reaction tubes was made up to 300 &#956;L with Tris-HCl buffer (50 mM Tris-HCl, 1 mM EDTA, 5 mM MgCl2, 0.1% NaN3, 0.1 mM PMSF, pH 7.4); the reaction was carried out at 25° C. for 1 hour; the mixture was then spotted on a type 49 glass fiber filter paper, suction filtered under a vacuum, washed 3 times with 2 mL of ice-cold Tris-HCl buffer (50 mM Tris-HCl Buffer, 1 mM EDTA, 5 mM MgCl2, 0.1% NaN3, pH7.4), and dried with suction. The filter paper was taken out and dried by baking, and then placed in a scintillation bottle. 1 mL of the scintillation liquid was added, and the radioactive intensity was measured by a liquid scintillation counter
12046	1	Inhibition of the S. maltophilia L1 MBL	On the basis of these in vitro data we conclude that the bicyclic boronate 2 acts against S. maltophilia in a similar fashion to avibactam and clavulanic acid in its ability to reverse aztreonam and (when due to L1/L2 hyperproduction) ceftazidime resistance (Table 2). As to date the inhibition of class B3 MBLs by bicyclic boronates has not been reported, we investigated the inhibition of purified L1 and L2 by the three inhibitors using the fluorogenic &#946;-lactamase substrate FC5 as a reporter. Steady-state kcat/KM values clearly demonstrate that FC5 is hydrolysed with high efficiency by both L1 and L2 (Table 1). IC50 measurements revealed that while all three compounds inhibit L2 with nanomolar potencies (Table 5), no inhibition of L1 was observed for any of the three inhibitors, even when using inhibitor concentrations up to 2.5 mM.
12047	1	CYP Enzyme Inhibition Assay	The compounds of the present disclosure were subjected to the CYP450 enzyme inhibition assay. The experimental results showed that the compounds of the present disclosure had low inhibitory activity against CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4-M enzymes, and high safety.
12047	2	PHD1, PHD2, PHD3 Enzyme Assay	VHL/elongin B/elongin C were constructed, expressed and purified, and VHL was labeled. PHD1, PHD2 and PHD3 were constructed, expressed and purified. VBC protein was labeled with DELFIA Eu-Labeling Kit. A NeutrAvidin 96-well plate was blocked after the addition of 200 &#956;L Blocker Casein to each well, followed by incubation for 30 min. Each well was washed 3 times by adding 200 &#956;L of washing buffer each time. A 200 nM HIF-1a 556-574 solution was prepared with washing buffer, and 100 &#956;L of the solution was added to each well, followed by incubation for 60 min. Each well was washed 3 times by adding 200 &#956;L of washing buffer each time. A 1 mM Biotin solution was prepared with Blocker Casein, and 100 &#956;L of the solution was added to each well, followed by incubation for 30 min. Each well was washed 3 times by adding 200 &#956;L of washing buffer each time. A 20× compound solution was prepared with PHD reaction buffer, with the final concentration of DMSO being 1%. PHD solutions were prepared with PHD reaction buffer, and the concentrations of PHD1, 2, and 3 solutions were 10 ng/&#956;L, 5 ng/&#956;L, and 15 ng/&#956;L, respectively. 95 &#956;L of the PHD solution was added to each compound well, followed by the addition of 5 &#956;L of the compound solution, 95 &#956;L of the PHD solution was added to each full active well, followed by the addition of 5 &#956;L of the PHD reaction buffer; and 100 &#956;L of the PHD reaction buffer was added to each blank well. After mixing homogeneously, the wells were incubated for 60 min. Each well was washed 3 times by adding 200 &#956;L of washing buffer each time A 1 ng/&#956;L Eu-VBC solution was prepared with Eu-VBC binding buffer, and 100 &#956;L of the solution was added to each well, followed by incubation for 60 min. Each well was washed 6 times by adding 200 &#956;L DELFIA Wash Concentrate each time. 100 &#956;L DELFIA Enhancement Solution was added to each well. A microplate reader was used to read TR-Fluorescence at Ex340 and Em615. The flurescence of the sample wells was recorded as FLUsample, the flurescence of the full active wells was recorded as FLU100%, and the flurescence of the blank well was recorded as FLU0%.
12048	1	CDK2/Cyclin E1 HTRF Enzyme Activity Assay	CDK2/Cyclin E1 enzyme activity assays utilize full-length human CDK2 co-expressed as N-terminal GST-tagged protein with FLAG-Cyclin E1 in a baculovirus expression system (Carna Product Number 04-165). Assays were conducted in white 384-well polystyrene plates in a final reaction volume of 8 &#956;L. CDK2/Cyclin E1 (0.25 nM) was incubated with the compounds of the Examples (40 nL serially diluted in DMSO) in the presence of ATP (50 &#956;M or 1 mM) and 50 nM ULight -labeled eIF4E-binding protein 1 (THR37/46) peptide (PerkinElmer) in assay buffer (containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20) for 60 minutes at room temperature. The reactions were stopped by the addition of EDTA and Europium-labeled anti-phospho-4E-BP1 antibody (PerkinElmer), for a final concentration of 15 mM and 1.5 nM, respectively. HTRF signals were read after 1 hour at room temperature on a PHERAstar FS plate reader (BMG Labtech). Data was analyzed with IDBS XLFit and GraphPad Prism 5.0 software using a three or four parameter dose response curve to determine IC50 for each compound.
12049	1	RFMS Human PAD4 Functional Assay	Compounds were solubilized in 100% DMSO to achieve a10 mM compound concentration. Compound stock solutions were stored at RT. A series of dilutions were prepared in DMSO and mixed 8 times with 20 &#956;L mixing volume. Final top concentration of compound in the assay is 50 &#956;M. Final assay conditions were as follows:Reaction volume: 26 &#956;lAssay buffer: 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 &#956;M Calcium, and 5 &#956;M TPENFinal concentrations: 5 nM hPAD4 enzyme, 250 &#956;M BAEE, and 0.5% DMSOTotal incubation time: 30 mins compound and enzyme preincubation at 37° C., 90 min enzyme/substrate reaction, 30 min reaction with phenyl glyoxal at 37° C.Stop solution: 40 &#956;l 5% TCA in ACN0.13 &#956;L of compound solution was added to 13 &#956;L of 10 nM PAD4 in assay buffer. After 30 min 13 &#956;l of 500 &#956;M of BAEE was added in 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 &#956;M Calcium, 5 &#956;M TPEN was added and the reaction incubated for 90 min at 37° C. The enzymatic reaction was quenched by addition of 15 &#956;l of 6.1N TCA, 100% Final Concentration is 20%, 35 &#956;l of 8.5 mM phenyl glyoxal (final concentration 4 mM) is then added and the reaction is incubated for 30 min at 37° C.After 30 minutes the plates are spun down to remove all precipitate. The enzyme reaction was quenched with an equal volume of methanol containing internal standard (modified citrulline). Samples were loaded onto the Rapid Fire RF300 system (Agilent) wherein they were first sipped for 1000 ms and then directly loaded to a C18 separations cartridge using a mixture of acetonitrile containing 0.01% formic acid for 3000 ms desalting. The flow rate of the mobile phase was 1.5 ml/min. Once the samples were eluted from the cartridge, a mobile phase of acetonitrile containing 0.01% formic acid was used to move the samples into the mass spectrometer for 4000 ms at a flow rate of 1.25 ml/min/Sciex API5500 triple quadrupole mass spectrometer (Applied Biosystems) equipped with ESI was used to analyze the peptidyl citrulline and internal standard ions.
12050	1	Evaluation of ABHD6 Enzyme Inhibitory Activity	First, 1-arachidonoyl glycerol (Cayman Chemical) as a substrate was prepared with an assay buffer containing 50 mM tris-HCl (pH 7.4), 100 mM NaCl, and 0.05% BSA, so as to have a final concentration of 10 &#956;mol/L. Then, a compound was added therein so as to have a final concentration of 0.0003, 0.001, 0.003, 0.01, 0.03, 0.1, 0.3, 1, 3, or 10 &#956;mol/L (DMSO: final concentration of 0.3%). In addition, solutions to which DMSO was added so as to have a final concentration of 0.3% were prepared as a group to which the compound was not added. The enzyme reaction was started by adding recombinant human ABHD6 (33-337) prepared with the same assay buffer to a mixed solution of the substrate and the compound so as to have a final concentration of 300 &#956;g/mL. The recombinant human ABHD6 (33-337) was a GST-tagged ABHD6, and one which was expressed in E. coli, then purified with a Glutathione-Sepharose 4B resin, and then concentrated was used. The enzyme reaction was carried out at room temperature using a 384-well microplate made of polypropylene, and wells to which no enzyme was added were designated as a blank group.
12050	2	Measurement of Binding Affinity for Human ABHD6	The binding affinity of the test compound for human ABHD6 was measured using bioluminescence resonance energy transfer (hereinafter, abbreviated as BRET) as an index. The bioluminescence resonance energy transfer is induced by the proximity of a probe molecule and a NanoLuc-human ABHD6 fusion protein, which is caused by allowing a fluorescent probe molecule and a test compound to act in a competitive manner using HEK293 cells forcibly expressing the NanoLuc-human ABHD6 fusion protein.
12051	1	LpxC Enzyme Assay	Briefly, Pseudomonas aeruginosa LpxC enzyme (0.1 nM) purified from E. coli-overexpressing bacteria was incubated at 25 C. in a final volume of 50 ul containing 0.5 uM UDP-3-O (R-3-hydroxydecanoyl)-N-acetylglucosamine, 1 mg/mL BSA, and 50 mM sodium phosphate buffer, pH 8.0 in the presence and absence of inhibitor compound. At the end of 1 hour, 5 ul of 1 N HCl was added to stop the enzyme reaction, the plates were centrifuged, and then processed with the BioTrove Rapidfire HTMS Mass Spectrometry System. A no-enzyme control was used in calculating the IC50 values from the percent conversion values.
12052	1	AlphaScreen Assay	No details are given.
12053	1	AlphaLisa Assay (ALA)	AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only gives signal when the beads are in close proximity to each other. When the tau monomer (target) is incubated it forms higher order aggregates (dimer, trimer, tetramer, etc) so that when the donor and acceptor beads bind to the epitope tags of tau they are in close proximity and generate signal.[0470]Tau target (equal mixture of each construct at 300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated in 96-well plates at room temperature for 4 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). AlphaLisa acceptor heads & donor beads with ligands to the epitope tags (Perkin Elmer) were diluted (final 20 ug/mL per bead) in bead buffer (25 mM HEPES pH 7.4, 100 mM NaCl, 0.1% Tween-20), added to the wells and incubated 1 hour at room temperature. The positive control (non-incubated target) & blank (no tau) were prepared and mixed with beads in bead buffer and the plate was read immediately using the EnVision plate reader (Perkin Elmer).
12053	2	Confirmatory Assay (CONFA)	Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The assay is performed using a similar procedure as ALA except that it utilizes SDS-PAGE for visualization and quantification of tau monomer and aggregated species (dimer, trimer, tetramer, pentamer, etc.). Only a single construct of tau without epitope tags is necessary, but the assay can use the same target prepared for the ALA assay also. For the CONFA assay, Tau target (300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated at room temperature for 3 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). Samples were mixed with an equal volume of 2×SDS sample buffer (4% SDS, 20% glycerol, 0.004% bromphenol blue, 125 mM Tris HCl, pH 7.0) to resolve tau monomer and disulfide-linked oligomers on 4-20% gradient polyacrylamide gels (Biorad) along with positive control (non-oligomerized tau target). The gels were stained with Oriole Fluorescent Gel Stain (BioRad) and imaged using the FluorChem R system (Protein Simple). AlphaView software (Protein Simple) was used for quantification of tau monomer and oligomers.
12055	1	SARS-CoV-2, SARS-CoV-1, MERS, 0C43 and 229E Mpro Biochemical Protease Activity Assay	SARS-CoV-2 Mpro biochemical assays were performed in 8 &#956;L in 384-well Proxi-Plus plate (PerkinElmer, Waltham, MA USA) at ambient temperature in the optimized assay buffer (50 mM Hepes, pH 7.1, 800 mM sodium citrate, 1 mM ethylenediaminetetraacetic acid, 1 mM TCEP ((tris(2-carboxyethyl)phosphine)), 0.005% BSA (bovine serum albumin)) with 1 nM of recombinant Mpro and 5 &#956;M substrate. After 10 minutes of preincubation of inhibitor with Mpro in assay buffer, reactions were initiated by the addition of a FRET-compatible peptide substrate (TAMRA)-dPEG2-S-A-V-L-Q-S-G-dPEG2-K(QSY7)-amide. Fluorescence was measured at 20 minutes using a 531/579 excitation/emission filters on EnVision (PerkinElmer, Waltham, MA USA). Data were normalized to DMSO minus no enzyme controls. IC50 and Ki of inhibitor was analyzed using Dotmatics software on 11 points of inhibitor with varies concentration. Each inhibitor was tested at least twice at different dates. 2 nM Mpro and 5 &#956;M substrate for SARS-CoV-1, 5 nM Mpro and 5 &#956;M for MERS, 1 nM of Mpro and 2 &#956;M substrate for 0C43, 3 nM Mpro and 2 &#956;M substrate for 229E were used in respective Mpro biochemical protease activity assays.
12056	1	In-Vitro Assay	The inhibitory effect of the compounds on the enzyme activity of recombinant protein Wee-1 was determined by HTRF. The procedures are as follows: After DMSO or serially diluted compounds (up to 200 nM, 1:5 diluted) and recombinant proteins were co-incubated in a kinase buffer at 37° C. for 30 min before Fluorescein-PolyGAT and ATP were added, and the reaction was initiated by addition of a substrate. After incubation at room temperature for 90 min, an antibody and a detection solution were added, and after further incubation at room temperature for 60 min, fluorescence values were detected (excitation wavelength: 340 nm, emission wavelengths: 495 and 520 nm). The 520 nm/495 nm fluorescence intensity ratio value was calculated, and compared with that of the DMSO group, and then the inhibition percentages and IC50 values of the compounds were calculated.
12057	1	AlphaLisa Assay (ALA)	AlphaLisa Assay (ALA) was used as a primary screen for identifying compounds that inhibit tau oligomer formation. It is a bead based assay that only gives signal when the beads are in close proximity to each other. When the tau monomer (target) is incubated it forms higher order aggregates (dimer, trimer, tetramer, etc) so that when the donor and acceptor beads bind to the epitope tags of tau they are in close proximity and generate signal. Tau target (equal mixture of each construct at 300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated in 96-well plates at room temperature for 4 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). AlphaLisa acceptor beads & donor beads with ligands to the epitope tags (Perkin Elmer) were diluted (final 20 ug/mL per bead) in bead buffer (25 mM HEPES pH 7.4, 100 mM NaCl, 0.1% Tween-20), added to the wells and incubated 1 hour at room temperature. The positive control (non-incubated target) & blank (no tau) were prepared and mixed with beads in bead buffer and the plate was read immediately using the EnVision plate reader (Perkin Elmer).
12057	2	Confirmatory Assay (CONFA)	Confirmatory Assay (CONFA) used as a secondary screen for confirming the mechanism of action of compounds identified as hits using the ALA assay. The assay is performed using a similar procedure as ALA except that it utilizes SDS-PAGE for visualization and quantification of tau monomer and aggregated species (dimer, trimer, tetramer, pentamer, etc.). Only a single construct of tau without epitope tags is necessary, but the assay can use the same target prepared for the ALA assay also. For the CONFA assay, Tau target (300 nM) was prepared in buffer (Tris-HCl pH 7.4) and was incubated at room temperature for 3 hours with vehicle control (DMSO) and a dose range of a compound of the disclosure (0.098 uM-50 uM). Samples were mixed with an equal volume of 2×SDS sample buffer (4% SDS, 20% glycerol, 0.004% bromphenol blue, 125 mM Tris HCl, pH 7.0) to resolve tau monomer and disulfide-linked oligomers on 4-20% gradient polyacrylamide gels (Biorad) along with positive control (non-oligomerized tau target). The gels were stained with Oriole Fluorescent Gel Stain (BioRad) and imaged using the FluorChem R system (Protein Simple). AlphaView software (Protein Simple) was used for quantification of tau monomer and oligomers.
12058	1	Rapid-Fire Mass Spectrometry (RFMS) Assay	A rapid-fire mass spectrometry (RFMS) assay was used to assess RNR enzyme activity using a 384 well plate and a robotic platform. The plate layout included two validated reference compounds (Triapine (3-AP) and Hydroxyurea (HU)): A dose response in duplicate; top concentration: 5 uM (3-AP) and 250 uM (HU), semi-log dilutions.  Spike wells in triplicate randomly spotted at four concentrations: 250 uM, 100 uM, 30 uM and 2 uM for HU 5 uM, 2 uM, 0.6 uM and 0.04 uM for 3-AP First, the multidrop pipes were saturated for 30 minutes with enzymatic solution. Then 30 uL of Stop solution was distributed in column 24. Next, 15 uL of enzyme was distributed in column 1 to 24. Next, a pre-incubation step of 15 minutes at room temperature occurred, followed by distribution of 15 uL of substrate solution (column 1 to 24). Next, the plate was incubated for 45 minutes at 37 C. 30 uL of Stop solution was distributed to columns 1 to 23.  The final parameters for the enzyme reactions were: Incubation: 37 C., 45 min [CDP]: 5 uM; [ATP]: 1 mM; [NADPH]: No [RNR]final: 50 nM with 1:1 (RNR1:RNR2) ratio Final volume: 30 uL Stop solution: 6% HCOOH containing 2 uM of 15 The compounds were screened at concentrations from 10 nM to 30 uM.
12059	1	NEK7 Enzymatic Assay	Casein substrate (from bovine milk, hydrolyzed and partially dephosphorylated mixture of &#945;, &#946; and &#954; caseins, obtained from Sigma Aldrich, catalogue #C4765, diluted in distilled water to a final concentration of 1 mg/mL) and full-length recombinant human NEK7 (expressed by baculovirus in Sf9 insect cells using a N-terminal GST tag, obtained from SignalChem, catalogue #N09-10G, 0.1 &#956;g/&#956;L) were mixed in assay buffer (20 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO). Compounds of interest (serial 3-fold dilution in DMSO from 10 &#956;M to 0.5 nM) or vehicle (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition of [33P]-ATP (specific activity 10 &#956;Ci/&#956;L) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
12060	1	Enzymatic Biochemical Assay of PARP	This assay adopted PARP1, TNKS1, TNKS2, PARP7 and PARP14 chemiluminescence detection kits (BPS, Cat No. 80551/80552/80573/80578/79729/80568) for enzymatic biochemical assay of PARP. The specific scheme was as follows: the 1× histone mixture was added to a 96-well plate at 50 &#956;L per well, and the plate was incubated overnight at 4° C. The next day, after the plate was washed with PBST, 200 &#956;L of blocking buffer per well was added, and the plate was incubated for 90 min. After the plate was washed with PBST again, 5 &#956;L of inhibitor, 20 &#956;L of 1×PARP buffer and 25 &#956;L of streptavidin-HRP were added to each well, and the plate was incubated at room temperature for 30 min. After the plate was washed with PBST, 100 &#956;L of Elisa ECL substrate A and B mixture was added to each well, chemiluminescence value was immediately read using a plate reader, and IC50 values were calculated.
12061	1	PI3K&#945; and PI3K&#945;H1047R Enzyme Activity Inhibition Evaluation Assay	The ADP-Glo Kinase Assay Kit was used for the experiments. The following buffer solutions were prepared: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT. The tested compound samples were dissolved in DMSO and added to the screening system at a certain starting concentration of, for example, 10 &#956;M, diluted 3-fold, while setting a DMSO control and an unkinase control. The optimal concentrations of Pd3K&#945;, PI3K&#945; H1047R, substrate (PIIP2) and ATP were prepared with buffers. The enzyme reaction system included: buffer, ATP 25 &#956;M, kinase substrate (PIP2, 50 &#956;g/mL), kinase PI3K&#945; (0.15 &#956;g/mL), PI3K&#948; H1047R (0.05 g/mL), etc. The reaction system was reacted at room temperature for 1 hour, then terminated by adding a terminal reagent (ADP-Glo reagent, 5 &#956;L), and the ADP content in the system was detected using a detection reagent (Kinase Detection Reagent, 10 &#956;L). Signal data was collected using the Envision instrument. Calculated the % inhibition according to the following formula: % inhibition=(DMSO control signal value&#8722;sample signal value)! (DMSO control signal value &#8722;unkinase control signal value). Inhibition curves were plotted using the formula Y=Bottom+(Top-Bottom)/(1+(IC50/X){circumflex over (&#8195;)}HillSlope) to obtain IC50 values.
12061	2	ADP-Glo Kinase Assay	The ADP-Glo Kinase Assay Kit was used for the experiments. The following buffer solutions were prepared: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS, 2 mM DTT. The tested compound samples were dissolved in DMSO and added to the screening system at a certain starting concentration of, for example, 10 uM, diluted 3-fold, while setting a DMSO control and an unkinase control. The optimal concentrations of Pd3Kalpha, PI3Kalpha H1047R, substrate (PIIP2) and ATP were prepared with buffers. The enzyme reaction system included: buffer, ATP 25 uM, kinase substrate (PIP2, 50 ug/mL), kinase PI3Kalpha (0.15 ug/mL), PI3Kalpha H1047R (0.05 g/mL), etc. The reaction system was reacted at room temperature for 1 hour, then terminated by adding a terminal reagent (ADP-Glo reagent, 5 uL), and the ADP content in the system was detected using a detection reagent (Kinase Detection Reagent, 10 uL). Signal data was collected using the Envision instrument. Calculated the % inhibition according to the following formula: % inhibition=(DMSO control signal value - sample signal value)! (DMSO control signal value ???unkinase control signal value).
12062	1	Inhibitory Activity Assay	GnRH/HEK293 (human embryonic kidney cell 293) cultured cells in the logarithmic growth phase were washed with DPBS (Dulbecco&#39;s phosphate buffered saline) buffer, and an appropriate amount of 0.05% EDTA (ethylenediaminetetraacetic acid)-trypsin was added. The cells were placed in a carbon dioxide incubator at 37° C. for digestion for 1-2 minutes, and then removed from the incubator. A medium was added to the cells to terminate the digestion. Cells were dispersed by repeated pipetting and harvested by centrifugation. The cells were seeded into a 384-well Poly-Lysine-Coated. Cell Plate at a density of 20,000 cells per well. 20 &#956;L, and incubated overnight in a 5% CO2, 37° C. incubator.[0177]On the next day, 20 &#956;L, of 2×Fluo-4Direct&#153; buffer was added to each well, and the plate was incubated in a 5% CO2, 37° C. incubator for 50 minutes. The cells were placed at room temperature for 10 minutes. 0.2 nM Leuprolide acetate was diluted to 10 concentrations by 4-fold serial dilution in ECHO, and 900 nL of that was transferred to the compound plate. 30 &#956;L of FLIPR buffered saline was added to the compound plate, and the plate was centrifuged at 1000 rpm for 1 min. The software of the FLIPR instrument was run, and 10 &#956;L of assay buffer salt solution was added according to the set program. The fluorescence signal was read. Then 10 &#956;L of the reference compound as an agonist was added, and the fluorescent signal was read. EC50 was calculated, and the agonist with a concentration of 6×EC50 was prepared.2 mM assay compounds and an appropriate concentration of reference compound were serially diluted 4-fold to 10 concentrations in ECHO, and 900 nL of that was transferred to a compound plate. 30 &#956;L of FLIPR buffered saline was added to the compound plate, and the plate was centrifuged at 1000 rpm for 1 min. The software of the HIM instalment was run, and 10 &#956;L of assay and reference compounds were added to the cell plate according to the set program. The fluorescent signal was read. Then 10 &#956;L of agonist with a concentration of 6×EC50 was added to the cell plate and the fluorescent signal was read.IC50 of the compound to inhibit the calcium flow of gonadotropin-releasing hormone receptor, i.e., the drug concentration when the Ca2+ flow was inhibited by half in the cells stably expressing the GnRH receptor, was calculated. The IC50 of the drug was calculated by GraphPad Prism 5.0 software.
12063	1	In Vitro Assay	DHODH Enzymatic Assay: To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5 mM CoQ6, and 1 mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
12064	1	Agonistic Activity of Polypeptide Compounds for GHSR-1a	The activity of GHSR-1a can be measured using different techniques, for example, by detecting the change in the intracellular conformation of GHSR, the change in G-protein coupling activity, and/or the change in intracellular messengers. Techniques such as measuring intracellular Ca2+ are preferably used to measure the activity of GHSR-1a. Examples of techniques known in the art that can be used to measure Ca2+ include the use of FLIPR calcium ion assay kits, among others. The FLIPR calcium ion assay kits use a calcium ion sensitive indicator and a masking dye to ensure that a researcher carries out high-sensitivity fluorescent screening for G protein-coupled receptors, ion channels and other calcium ion sensitive targets. This experiment used FLIPR calcium 6 assay kits and FLIPR calcium 6-QF assay kits.1. Process1.1. Cell Culture and Reagent Preparationa) Cell line: Flp In-CHO-GHSR Stable Pool;b) Complete medium: F12K+10% fetal bovine serum+1×penicillin-streptomycin (PS)+600 &#956;g/mL hygromycin B;c) Cell seeding medium: F12K+10% fetal bovine serum.d) Assay buffer: 1× HBSS+20 mM HEPES.e) 10× component A: Assay buffer and component A were left at room temperature (RT), 10 mL of buffer was added to component A, and the mixture was vortexed for 1-2 min and stored at &#8722;20° C.1.2. Compound Managementa) Compound stock solutions: the powders from in-house synthesis were made into 10 mM stock solutions in DMSO according to the standard protocol.b) Compound storage: all compounds in DMSO were stored in room temperature desiccators for short-term storage (at most 4 months). The remaining compounds were left at &#8722;20 ° C. for long-term storage.1.3. Agonist Activity Assaya) Flp In-CHO-GHSR Stable Pool cells were cultured in complete medium.b) The cells were placed in 25 lbs/inch cell seeding medium in a 384-well cell culture plate (Corning, 3764) at 7k cells/well and cultured overnight at 37° C. with 5% CO2.c) 20× component A was thawed at room temperature, diluted with assay buffer to 2×, and left at RT.d) The Petri dish was taken out of the incubator and equilibrated at room temperature for 10 min. The medium was changed to apricot buffer. After the final wash, 20 &#956;L of buffer was kept in each well, 20 &#956;L of 2× component A was then added to each well, and the plate was incubated at 37° C. for 3-5 s.e) 10 &#956;L of 5× compound was added to the 384-well cell culture plate, and data collection was immediately performed using FLIPR Tetra.
12064	2	Inhibition of Cytochrome P450 Oxidase	Human liver microsomes containing cytochrome P450 (0.253 mg/mL protein) were incubated with test compounds (0.05-50 &#956;M), CYPs substrates (10 &#956;M paracetamol, 5 &#956;M diclofenac, 30 &#956;M mephenytoin, 5 &#956;M dextromethorphan hydrobromide and 2 &#956;M midazolam) and 1.0 mM NADP at 37° C. for 10 min. Naphthoflavone, sulfaphenazole, N-3-benzylnirvanol, quinidine and ketoconazole were used as reference inhibitors.
12065	1	Inhibition of PDE4	The inhibition of PDE4 (e.g., PDE4A, PDE4C) activity by the compounds (e.g., compound-1, compound-2, compound-3, compound-4, compound-5, and compound-6) are monitored using the PDE fluorescence polarization assay kits from BPS Bioscience (San Diego, USA) following the provided procedure. This assay is based on the selective binding of the fluorescent dye FAM-labelled AMP generated by the PDEs from the FAM-cAMP to its binding beads.Briefly, compounds (2.5 ul of different concentrations diluted in the assay buffer) were mixed with 12.5 uL of the FAM-cAMP substrate (200 nM in the assay buffer) in a 384-well plate, 10 ul of the human recombinant PDE4A (BPS, Catalog #60340) or PDE4C (BPS, Catalog #60384) was added. The plate was incubated for 1 hr at room temperature. 50 ul of the binding agent for FAM-AMP was added. The mixture was incubated at room temperature for 20 min. The amount of binding agent bound FAM-AMP was measured by the fluorescence polarization method on the Envision spectrometer. The potency (IC50 value, Table1) of exemplified compounds was calculated from the dose-response curve using the 4-parameter non-linear regression fitting routine.
12066	1	Homogeneous Time-Resolved Fluorescence (HTRF) cAMP Antagonist Assay	HTRF cAMP assays were performed according to manufacturer&#39;s instructions (Cisbio, cAMP Dynamic 2 Assay Kit; #62AM4PEJ). CHO-K1 cells stably expressing recombinant receptor were harvested and suspended in warm PBS to make a 300,000 cells/mL stock. This cell suspension was dispensed into 384 well assay plates (PerkinElmer ProxiPlate #6008280) at 5 &#956;L per well (1500 cells/well) along with a cAMP standard curve.Compounds were dissolved and serially diluted (5-fold) in DMSO to generate a 10-point dose response stock. The stock was then diluted 100-fold in assay buffer (PBS containing 1 mM IBMX) before a volume of 2.5 &#956;L was added to the cells (the final, top concentration of compound in the dose-response is typically 10 or 100 &#956;M). After a brief incubation, 2.5 &#956;L of isoproterenol stock, prepared at a concentration 4 times its EC90 at the receptor of interest, was added to the wells. The EC90 for isoproterenol, a beta-adrenergic agonist, was determined in separate experiments using standard methods to measure agonist potencies.Following a 1-hour incubation at room temperature, 5 &#956;L of cAMP-D2 Reagent diluted in Lysis Buffer was added to each well followed by 5 &#956;L of Cryptate Reagent. Plates were further incubated at room temperature for 1 hour prior to reading. Time resolved fluorescence measurements were collected on a suitable, HTRF-capable plate reader.Counts from the plate reader were fit to the cAMP standard curve on the assay plate in order to determine cAMP concentrations in each well, and these values were used to construct dose-response curves to obtain IC50 values.
12067	1	E-Selectin Activity - Binding Assay	The inhibition assay to screen for and characterize glycomimetic antagonists of E-selectin is a competitive binding assay, which allows the determination of IC50 values. E-selectin/Ig chimera was immobilized in 96 well microtiter plates by incubation at 37° C. for 2 hours. To reduce nonspecific binding, bovine serum albumin was added to each well and incubated at room temperature for 2 hours. The plate was washed, and serial dilutions of the test compounds were added to the wells in the presence of conjugates of biotinylated, sLea polyacrylamide with streptavidin/horseradish peroxidase and incubated for 2 hours at room temperature.To determine the amount of sLea bound to immobilized E-selectin after washing, the peroxidase substrate, 3,3&#8242;,5,5&#8242; tetramethylbenzidine (TMB) was added. After 3 minutes, the enzyme reaction was stopped by the addition of H3PO4, and the absorbance of light at a wavelength of 450 nm was determined. The concentration of test compound required to inhibit binding by 50% was determined and reported as the IC50 value for each glycomimetic E-selectin antagonist as shown in the table below.
12068	1	3H-THK5117 Competition Binding to Tau Fibrils In Vitro	In the presence of 3 nM of the known tau ligand [3H]-THK5117 (Novandi Chemistry) and 0.2 mM 0N4R tau fibrils in binding buffer (50 mM Tris-HCl, pH 7.4, 0.1% BSA) for 1 h in the dark, and at 22° C. The incubation was terminated by filtration through a Whatman GF/B glass filter (Whatman International, Kent, UK) using a Brandel cell harvester. The filter was then washed rapidly four times with 3 mL of ice-cold wash buffer (5 mM Tris-HCl, 0.25 mM NaCl, 5% EtOH), and equilibrated for 1 h in scintillation vials containing 5 mL of Ultima Gold scintillation fluid before being analysed using a Liquid Scintillation Analyzer.
12069	1	Enzymatic Assay	The PLpro primary assay using PLpro as prepared above was conducted as described below and provided the data described in Table 7 in the column: Enzymatic assay IC50 . The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (SEQ ID NO. 4) (Bachem), was performed in black, flat-bottom 384-well plates containing a final reaction volume of 50 &#956;L. The assays were assembled at room temperature as follows: 40 &#956;L of 50 nM PLpro in Buffer B (50 mM HEPES, pH 7.5, 0.1 mg/mL BSA, 0.01% Triton- X 100, and 5 mM DTT) was dispensed into wells containing 0.1-1 &#956;L of inhibitor in DMSO or appropriate controls. The enzyme was incubated with inhibitor for 10 min prior to substrate addition. Reactions were initiated with 10 &#956;L of 62.5 &#956;M RLRGG-AMC (SEQ ID NO. 4) in Buffer B. Plates were shaken vigorously for 30 s, and fluorescence from the release of AMC from peptide was monitored continuously for 15 min on a Tecan Infinite M200 Pro plate reader (&#955;excitation=360 nm; &#955;emission=460 nm). Slopes from the linear portions of each progress curve were recorded and normalized to plate-based controls. Positive control wells, representing 100% inhibition, included 10 &#956;M GRL0617; negative control wells, representing 0% inhibition, included vehicle.
12069	2	SPR Binding Assay	The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 pg/mL with 10 mM sodium acetate (pH 5.5) and immobilized on a CM5 sensor chip by standard amine-coupling with running buffer PBSP (10 mM phosphate, pH 7.4, 2.7 mM KCl, 137 mM NaCl, 0.05% Tween-20). The CM5 sensor chip surface was first activated by 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC)/N-hydroxy succinimide (NHS) mixture using a Biacore 8K instrument (Cytiva). SARS-CoV-2 PLpro enzyme was immobilized to flow channels 1 through 4 followed by ethanolamine blocking on the unoccupied surface area, and immobilization levels for all four channels were similar at 12,000 RU. Each flow channel has its own reference channel, and blank immobilization using EDC/NHS and ethanolamine was done for all reference channels. Compound solutions with a series of increasing concentrations (0.049-30 uM at 2.5-fold dilution) were applied to all active and reference channels in SPR binding buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, and 0.05% Tween-20, 0.5 mM TCEP, and 2% DMSO) at a 30 uL/min flow rate at 25 C. The data were double referenced with a reference channel and zero concentration (2% DMSO) responses, and reference subtracted sensorgrams were fitted with 1 to 1 Langmuir kinetic model using a Biacore Insight evaluation software, producing two rate constants (ka and kd).
12070	1	5-HT2A Receptor Binding Assay	5-HT2A Receptor Radioligand Binding. Affinity of the test compounds for the 5-HT2A receptor was determined in radioligand binding experiments with [3H]ketanserin by WuXi AppTec (Hong Kong) Limited, using methods adapted from the literature and under conditions described in Table 2.TABLE 2Assay conditions for 5-HT2A receptor radioligand binding.Receptor Source HEK293 stable cell lineVehicle 1.0% DMSOIncubation Time 1 hIncubation Temperature 25 C.Incubation Buffer50 mM Tris-HCl, pH 7.4Ligand 1 nM [3H]ketanserinNon-Specific Ligand 1 uM ketanserin
12071	1	DHODH Enzymatic Assay	To detect DHODH enzyme activities, dichloroindophenol (DCIP) is added as the final electron acceptor in the assay. DCIP can accept electrons from the reduced coenzyme Q generated in the assay, or from dihydroorotate (DHO) via FMN by binding presumably to the ubiquinone pocket. DCIP solutions are blue, with an intense absorbance around 600 nm, but becomes colorless upon reduction (J. Biol. Chem. (1986) 261, 11386). The assay buffer contained 50 nM HEPES, pH 7.5, 150 mM NaCl, 0.5 mM EDTA, and 0.1% Triton X-100 in MilliQ water. Substrate consisting of 20 mM DHO, 5 mM CoQ6, and 1 mM DCIP in assay buffer, initiates the reaction. The assay is run in end-point mode by quenching the reaction with the potent DHODH inhibitor brequinar. Absorbance measurements were obtained using the BMG Phera Star plate-reading spectrophotomer. Purified human DHODH was purchased from Proteros (cat. No. PR-0044). Chemicals were purchased from Sigma-Aldrich, Teknova, and Avanti Polar Lipids. Liquid handling was performed using Labcyte Echo and Formulatrix Tempest.
12072	1	CDK1/CyclinB Kinase Inhibitory Activity Assay	CDK1/CyclinB kinase inhibitory activity (IC50): 5 &#956;l of various dilutions of test compound in 1×kinase buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Brij-35) was mixed with 10 &#956;L of CDK1/CyclinB (Millipore, 14-450M #, final concentration 3 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled &#8722;peptide 18(5-FAM-QSPKKG-CONH2) (GL, 114202 #, final concentration 3000 nM) and ATP (final concentration 20 M) in 1×Kinase buffer was added to each of the wells containing test compound and CDK1/CyclinB mixture. The reaction is then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12072	2	CDK2/CyclinE1 Kinase Inhibitory Activity Assay	CDK2/CyclinE1 kinase inhibitory activity (IC50): 5 &#956;l of various dilutions of test compounds in 1×kinase buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Brij-35) were mixed with 10 &#956;L of CDK2/CyclinE1 (Carna, 04-165 #, final concentration 3 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled-peptide 18(5-FAM-QSPKKG-CONH2) (GL, 114202 #, final concentration 3000 nM) and ATP (final concentration 77 M) in 1×Kinase buffer was added to each of the wells containing test compound and CDK2/CyclinE1 mixture. The reaction was then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12072	3	CDK6/CyclinD1 Kinase Inhibitory Activity Assay	CDK6/CyclinD1 kinase inhibitory activity (IC50): 5 l of various dilutions of test compound in 1×kinase buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Brij-35) was mixed with 10 &#956;L of CDK6/CyclinD1 (Carna, 04-114 #, final concentration 7.5 nM in 1×Kinase buffer) or CDK6/Cyclin D3 (Carna, 04-107 #, final concentration 15 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled-peptide 8(5-FAM-IPTSPITTTYFFFKKK-COOH, GL, 112396 #, final concentration 3000 nM) and ATP (final concentration 230 M for CDK6/CyclinD1 or 800 uM for CDK6/CyclinD3) in 1×Kinase buffer was added to each of the wells containing test compound and CDK6/CyclinD1 or CDK6/Cyclin D3 mixture. The reaction is then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12072	4	CDK7/Cyclin HIMAT1 Kinase Inhibitory Activity Assay	CDK7/Cyclin HIMAT1 kinase inhibitory activity (IC50): 5 l of various dilutions of test compound in 1×kinase buffer (20 mM HEPES, pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Triton X-100) was mixed with 10 &#956;L of CDK7/CyclinH/MAT1 (Millipore, 14-476M #, final concentration 12.5 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled-peptide CTD3 (5-FAM-ACSYSPTSPSYSPTSPSYSPTSPSKK, GL, SY346885 #, final concentration 3000 nM) and ATP (final concentration 70 M) in 1×Kinase buffer was added to each of the wells containing test compound and CDK7/CyclinH/MAT1 mixture. The reaction is then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12072	5	CDK9/CyclinT1 Kinase Inhibitory Activity Assay	CDK9/CyclinT1 kinase inhibitory activity (IC50): 5 l of various dilutions of test compound in 1×kinase buffer (20 mM HEPES, pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Triton X-100) was mixed with 10 &#956;L of CDK9/CyclinT1 (Millipore, 14-685M #, final concentration 12.5 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled-peptide CTD3 (5-FAM-ACSYSPTSPSYSPTSPSYSPTSPSKK, GL, SY346885 #, final concentration 3000 nM) and ATP (final concentration 10 &#956;M) in 1×Kinase buffer was added to each of the wells containing test compound and CDK9/CyclinT1 mixture. The reaction is then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12072	6	CDK4/CyclinD1 Kinase Inhibitory Activity Assay	CDK4/CyclinD1 kinase inhibitory activity (IC50): 5 l of various dilutions of test compound in 1×kinase buffer (20 mM HEPES, pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Triton X-100) was mixed with 10 &#956;L of either CDK4/Cyclin D1 (ProQinase, 0142-0143-1 #, final concentration 20 nM in 1×Kinase buffer) or CDK4/CyclinD3 (Carna, 04-105 #, final concentration 10 nM in 1×Kinase buffer) in 384 plates and incubated at room temperature for 10 min. To initiate each reaction, 10 &#956;L of peptide solution containing fluorescently-labeled-peptide 8(5-FAM-IPTSPITTTYFFFKKK-COOH, GL, 112396 #, final concentration 3000 nM) and ATP (final concentration 672 uM for CDK4/CyclinD1 or 280 M for CDK4/Cyclin D3) in 1×Kinase buffer was added to each of the wells containing test compound and CDK4/CyclinD3 mixture. The reaction is then allowed to proceed at 28° C. for 30 min and terminated by the addition of 25 &#956;L stop buffer (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 (Perkin Elmer, 760050 #) and 0.015% Brij-35).
12073	1	Binding at Human Serotonin Receptors Competition Binding in Human 5-HT1B Receptor Assay	Serotonin 5-HT1B receptor competition binding experiments were carried out in a polypropylene 96-well plate. In each well was incubated 5 &#956;g of membranes from Hela-5-HT1B cell line prepared in the laboratory (Lot: A001/14-11-2011, protein concentration=3179 &#956;g/ml), 1.5 nM [3H]-GR125743 (77.3 Ci/nmol, 0.1 mCi/ml, Perkin Elmer NET1172100UC) and compounds studied and standard. Non-specific binding was determined in the presence of GR55562 10 &#956;M (TOCRIS 1054). The reaction mixture (Vt: 250 &#956;l/well) was incubated at 25° C. for 90 min, 200 &#956;L was transfered to GF/C 96-well plate (Millipore, Madrid, Spain) pretreated with 0.5% of PEI and treated with binding buffer (Tris-HCl 50 mM, EDTA 1 mM, MgCl2 10 mM, pH=7.4), after was filtered and washed four times with 250 &#956;l wash buffer (Tris-HCl 50 mM, pH=7.4), before measuring in a microplate beta scintillation counter (Microbeta Trilux, PerkinElmer, Madrid, Spain). The raw radioactivity data is adjusted to a logistic regression of 4 parameters using GraphPad Prism software, from the specific junction the value of IC50 is obtained.
12073	2	Competition Binding in Human 5-HT2A Receptor	Serotonin 5-HT2A receptor competition binding experiments were carried out in a polypropilene 96-well plate. In each well was incubated 80 &#956;g of membranes from CHO-5-HT2A cell line prepared in the laboratory (protein concentration=4337 &#956;g/ml), 1 nM [3H]-Ketanserin (47.3 Ci/mmol, 1 mCi/ml, Perkin Elmer NET791250UC) and compounds studied and standard. Non-specific binding was determined in the presence of Methysergide 1 &#956;M (Sigma M137). The reaction mixture (Vt: 250 &#956;l/well) was incubated at 37° C. for 30 min, 200 &#956;L was transfered to GF/B 96-well plate (Millipore, Madrid, Spain) pretreated with 0.5% of PEI and treated with binding buffer (Tris-HCl 50 mM, pH=7.4), after was filtered and washed six times with 250 &#956;l wash buffer (Tris-HCl 50 mM, pH=6.6), before measuring in a microplate beta scintillation counter (Microbeta Trilux, PerkinElmer, Madrid, Spain).
12074	1	Assessment of MPO and TPO Activity Assay (IC50)	The experiments were performed in phosphate-buffered saline (PBS), pH7.4. A 10 mM luminol (A4695, Sigma Aldrich, St Louis, MO, USA) stock was prepared in distilled water and further diluted in PBS to a final concentration of 100 &#956;M. H2O2 was prepared as 1 mM stock in PBS, yielding a final concentration of 50 &#956;M after addition into the assay. The compounds were serially diluted in DMSO in a separate plate as a 100× stock solution, and MPO (purified from HL60 cells) and TPO (produced in insect cells, RSR Ltd, Cardiff, UK), were diluted to yield a final concentration of approximately 14 and 150 ng/mL, generating 5600 and 9300 light counts per seconds (LCPS) upon incubation with luminol. The experiment was run by pipetting 2 &#956;L 100× stock solution of the compound and 200 &#956;L diluted enzyme in PBS into wells in a 96-well Optiplate (6005290, Perkin Elmer/Thermo Fischer, Waltham, MS, USA), followed by addition of 10 &#956;L H2O2 containing PBS. Chemiluminescence measurement (Perkin Elmer Wallac Microbeta Trilux 1450-029 (12-detector), Turkuu, Finland) was started directly and recorded after 2, 10 and 15 minutes. Chemiluminescence recorded after 15 minutes was used to calculate the IC50 values.
12075	1	Biological Assay	The IC50 values of certain Example Compounds of the invention, and for Comparative Examples 1 and 2, for Human NMT1 (HsNMT1) and Plasmodium vivax (Pv) NMT were measured using a sensitive fluorescence-based assay based on detection of CoA by 7-diethylamino-3-(4-maleimido-phenyl)-4-methylcoumarin, as described in Goncalves, V., et al., Analytical Biochemisty, 2012, 421, 342-344 and Goncalves, V., et al., J. Med. Chem, 2012, 55, 3578.HsNMT1 and Plasmodium vivax (Pv) NMT.
12076	1	Inhibition Test of Compounds on KRAS G12C::SOS1 Binding	Table 1: The compound to be tested was prepared into a 10 mM stock solution with DMSO, and the compound was serially diluted using 1× test buffer. 0.1 &#956;L of the compound solution with different concentrations was transferred to a 384-well plate. 5 &#956;L of GST-KRAS G12C was added to the 384-well plate, and centrifuged at 1000 rpm for 1 min. 5 &#956;L of His-SOS1 was added to the 384-well plate, centrifuged at 1000 rpm for 1 min, and incubated at room temperature for 15 min.After incubation, 10 &#956;L of a mixed solution of anti-6his-Tb monoclonal antibody (Cisbio, Cat. No. 61HI2TLA) and anti-GST-XL665 monoclonal antibody (Cisbio, Cat. No. 61GSTXLA) was added to the test well, centrifuged at 1000 rpm for 1 min, and incubated at room temperature for 1 h.After incubation, the fluorescence signal ratios at 665 nm and 615 nm were read on a multifunctional microplate reader (Perkin Elmer, Envision 2104), and the IC50 values were calculated using Graphpad 5 software.
12076	2	Inhibition Test of Compounds on KRAS G12C::SOS1 Binding	Table 2: The compound to be tested was prepared into a 10 mM stock solution with DMSO, and serially diluted using 1× test buffer (modified Tris buffer). The resulting compound solution was transferred to a 384-well plate, and the final content of DMSO was 0.25%, and an additional DMSO well without compound was set up as a high signal control.1× test buffer (modified Tris buffer) was prepared. KRAS G12C (SignalChem, Cat. No. R06-32DH-BULK), SOS1 (Cytoskeleton, Inc., Cat. No. GE02-XL) and GTP solution (BellBrook, Cat. No. 3014-1K) were prepared respectively using the test buffer. 10 &#956;L of KRAS G12C was transferred to the 384-well plate, and another 10 &#956;L of the buffer was transferred to an empty well as a low signal control. 5 &#956;L of SOS1 and 5 &#956;L of GTP were transferred to the 384-well plate, respectively.GDP detection reagent was prepared using the test buffer. 10 &#956;L of the detection reagent solution was transferred to the 384-well plate and incubated at room temperature for 2 h. After incubation, the plate was read on a multifunctional microplate reader (SpectraMax Paradigm) with an excitation wavelength of 580 nm and an emission wavelength of 620 nm.
12077	1	Biological Example 1: Bcl-2 Competition Binding (Fluorescence Polarization) Assay	The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD). An unbound Fluorescein labeled BH3 peptide emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When the peptide is bound to Bcl-2, the complex tumble slower and the emitted light can have a higher level of polarization, resulting in a higher mP value. This binding assay was performed in 96-well plate and with each assay contained 15 and 30 nM of labeled peptide and purified Bcl-2 protein (purchased from R&D Systems, Inc). The assay buffer contained 20 mM Hepes (pH 7.0), 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.1 mg/mi Bovine Gamma Globulin and 0.01% NP40. Compounds were diluted in DMS0 and added to the final assay with concentration range from 20 &#956;M to 2 nM. The polarization degree (mP) value was determined by BioTek Synergy II with background subtraction after 3 hours of incubation at room temperature.
12078	1	Biochemical Potency JAK1 Assay	The objective of this study was to assess the activity of novel JAK inhibitors measuring the capability of compounds to inhibit JAK1 kinase activity in a biochemical time-resolved fluorescence resonance energy transfer (TR-FRET) LANCE assay. InLANCE Ultra kinase assay in the presence of JAK1 kinase and ATP (corresponding to Km), the ULight peptide substrate (LANCE Ulight-JAK-1 (Tyr1023) Peptide, Perkin Elmer, TRF0121) was phosphorylated. It was then captured by a Eu-anti-phospho-substrate antibody (LANCE Eu-W1024 Anti-phosphotyrosine (PT66), Perkin Elmer, AD0069), which brought the Eu-chelate donor and ULight acceptor dyes into close proximity. Upon excitation at 320 nm, the Eu-chelate transfers its energy to the ULight dye, resulting in a fluorescent light emission at 665 nm. Inhibitors were tested at 11 consecutive 5-fold dilutions starting from 30 &#956;M (30 &#956;M 3 pM) in duplicate. Calculation of IC50 data, curves and QC analysis were made using Excel tools and GraphPadPrism software. QC criteria parameters: Z&#8242;&#8805;0.5, Hill Slope range 0.5 to 5, S:B>2.
12079	1	Biochemical Functional Assay	The KRAS (aa 1-169) G12C, C51S, C80L, C118S with a His-tag was expressed, purified and loaded with GDP in house. All protein and substrate solutions were prepared in assay buffer containing 25 mM HEPES pH7.5, 10 mM MgCl2, and 0.01% Triton X-100. Purified GDP-loaded KRAS (aa 1-169) G12C, C51S, C80L, C118S protein was pre-incubated with a serially diluted compound at 24° C. for 3 hrs. Purified SOS1 (aa 564-1049) protein, GTPyS (Sigma) and GST-cRaf RBD (aa 1-149) were then added to each well and incubated at 24° C. for additional 3 hrs. This addition initiates the nucleotide exchange reaction and transition of inactive GDP loaded KRAS G12C to active GTPyS KRAS G12C which binds to GST-cRaf RBD. Following the incubation, Mab Anti-6HIS-T cryptate (Cisbio) and Mab Anti GST-XL665 (Cisbio) were added and further incubated at 24° C. for 3 hrs. The binding interaction between active GTPyS KRAS G12C and GST-cRaf RBD brings the Tb and XL665 into close proximity enabling an increased FRET signal (Ex337 nm, Em665 nm/620 nm). The inhibition percentage of nucleotide exchange reaction in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm detected on a BMG PHERAstar FSX instrument. 
12080	1	HTRF-Based EGFR Biochemical Assay	EGFR biochemical activity measurements were carried out using the homogeneous time-resolved fluorescence (HTRF) assay (Cisbio). Inhibitors and DMSO normalizations were first dispensed to empty black low-volume 384-well plates (Corning) with D300 digital liquid dispenser (HP). All reactions were carried out at room temperature and solutions were added to plates with a Multidrop Combi Reagent Dispenser (ThermoFisher). The reaction mixture (10 &#956;L final volume) contained 1 &#956;M tyrosine kinase peptide-biotin substrate and mutant EGFR in a reaction buffer (50 mM HEPES pH 7.0, 5 mM MgCl2, 1 mM MnCl2, 0.01% BSA, 2 mM TCEP, 0.1 mM NaVO4). Enzyme concentrations were adjusted to accommodate varying kinase activities (L858R0.1 nM, L858R/T790M 0.02 nM). Enzyme reaction solution (2× concentrations, 5 &#956;L) was added to 384-well plates containing compounds and incubated for 30 mins. Enzyme reactions were initiated with the addition of 5 &#956;L of ATP to a final concentration of 100 &#956;M and reacted for 20 mins. Reactions were quenched with the addition of 10 &#956;L of phospho-tyrosine antibody-Europium(III) cryptate (1-to-180 volume ratio) and Streptavidin-XL665 (46.7 nM) in EDTA-containing detection buffer, then incubated at room temperature for 1 hour, and read with a PHERAstar plate reader (excitation=337 nm, emission=620 nm and 665 nm). IC50 values were determined by inhibition curves (11-point curves from 1.0 &#956;M to 0.130 nM or 23-point curves from 1.0 &#956;M to 0.130 &#956;M) in triplicate with non-linear least squares fit in GraphPad Prism 7.0d.
12081	1	Inhibition of Compounds on Viral Replication	Determination of the inhibitory activity of compounds on the replication of 2019 novel coronavirus (SARS-CoV-2): anti-novel coronavirus activity test methods of NHC and GS-441524 are as reported in the literature. To Vero cells infected with the 2019 novel coronavirus, different concentrations of test compounds were added. After 48 hours of incubation, the virus copy number in the cell supernatant was quantified by quantitative real-time RT-PCR (qRT-PCR) to evaluate the inhibitory activity of the compound on the virus. Determination of the inhibitory activity of compounds on the replication of respiratory syncytial virus (RSV), human coronavirus OC43, influenza A virus, and Zika virus by Cytopathogenic effect (CPE): the experimental cells were inoculated at a certain cell density to 96 well cell culture plates, and cultured overnight in a 5% CO2, 37° C. incubator. The compounds and viruses were added the next day. Depending on the tested virus, the cells were cultured in an incubator for 3-7 days under 5% CO2, 33° C. or 37° C., until 80-95% of the cells in the virus-infected control wells without compound had pathological changes. Cell viability in each well was then detected with CellTiter-Glo or CCK-8. If the cell viability of the compound-containing well is higher than that of the virus-infected control well, that is, the CPE is weakened, it indicates that the compound has an inhibitory effect on the tested virus. 
12082	1	IRAK4 TR-FRET assay	For the assay, 11 different concentrations in the range from 20 &#956;M to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO. 50 nl of the respective solution were pipetted into a black low-volume 384-well microtitre plate (Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of IRAK4 in assay buffer [50 mM HEPES pH 7.5, 5 mM MgCl2, 1.0 mM dithiothreitol, 30 &#956;M activated sodium orthovanadate, 0.1% (w/v) of bovine gamma-globulin (BGG), 0.04% (v/v) nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min to allow prebinding of the substances to the enzyme prior to the kinase reaction. The kinase reaction was then started by addition of 3 &#956;l of a solution of adenosine triphosphate (ATP, 1.67 mM=final concentration in 5 &#956;l of assay volume: 1 mM) and peptide substrate (0.83 &#956;M=final concentration in 5 &#956;l assay volume: 0.5 &#956;M) in assay buffer, and the resulting mixture was incubated at 22° C. for the reaction time of 45 min. The concentration of the IRAK4 was adjusted to the respective activity of the enzyme and set such that the assay was carried out in the linear range. Typical concentrations were in the order of about 0.2 nM. The reaction was stopped by addition of 5 &#956;l of a solution of TR-FRET detection reagents [0.1 &#956;M streptavidin-XL665 (Cisbio Bioassays; France, catalogue No. 610SAXLG)] and 1.5 nM anti-phosphoserine antibody [Merck Millipore, STK Antibody , catalogue No. 35-002] and 0.6 nM LANCE EU-W1024-labelled anti-mouse-IgG antibody (Perkin-Elmer, product No. AD0077; alternatively, it is possible to use a terbium cryptate-labelled anti-mouse-IgG antibody from Cisbio Bioassays) in aqueous EDTA solution (100 mM EDTA, 0.4% [w/v] bovine serum albumin [BSA] in 25 mM HEPES pH 7.5).The resulting mixture was incubated at 22° C. for 1 h to allow formation of a complex of the biotinylated phosphorylated substrate and the detection reagents. The amount of the phosphorylated substrate was then evaluated by measuring the resonance energy transfer from europium chelate-labelled anti-mouse-IgG antibody to streptavidin-XL665. To this end, the fluorescence emissions at 620 nm and 665 nm were measured after excitation at 350 nm in a TR-FRET measuring instrument, for example a Rubystar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). The ratio of the emissions at 665 nm and 622 nm was taken as a measure of the amount of phosphorylated substrate. The data were normalized (enzyme reaction without test substance=0% inhibition; all other assay components but no enzyme=100% inhibition).
12083	1	In Vitro JAK Kinase Assay	JAK1 inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50 s of compounds are measured for each kinase in the 40 &#956;L reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
12084	1	Q46 Radioligand Binding Assay	For radioligand binding assays (RBA) MBP-HTT(1-89)Q46-His(6 ) ( Exonl-Q46 ) protein was generated based on a previous publication (Scherzinger et al. Cell, Vol. 90, 549-558, Aug. 8, 1997). For experiments 30 uM MBP-Exonl-Q46 was incubated with 150 ug/mL thrombin in assay buffer (150 mM NaCl, 50 mM Tris pH 8.0) and 2 mM CaCl2 for 16 hours at 37 C. Aggregated Exonl-Q46 was pelleted by centrifugation for 5 minutes at 13,000 rpm in a bench top centrifuge and re-dissolved in the same volume of assay buffer. Test compounds were prepared by titration in DMSO at 11 concentrations from 63 uM to 2 nM. For the RBA, Q46 protein aggregates and test compounds were pre-incubated in assay buffer for 20 minutes at room temperature, in 100 uL/well in a 96-well plate (pp, round bottom). Then, ligand was added in 50 uL/well and incubated for 60 minutes at 37 C. Final assay concentrations were 1 uM to 30 uM test compound, 1 uM Exonl-Q46 protein (equivalent monomer concentration) and 0.3 nM ligand [3H3-methyl]-5-((5-methoxypyridin-2-yl)methoxy)-2-(pyrazin-2-yl)benzo[d]oxazole. Samples were transferred onto GF/B filter plates and washed 2 with 200 uL PBS using a Filtermate Harvester. After drying filter plates for 1 hour at 55 C., the back of the plates were sealed with foil and 30 uL/well scintillation fluid (Packard MicroScint 40) added, incubated for 15 minutes in the dark and counted in a MicroBeta reader. For analysis, replicate data from independent assay plates were normalized towards 0% and 100% inhibition using control wells of vehicle (0% inhibition) and 1 uM unlabelled [3H3-methyl]-5-((5-methoxypyridin-2-yl)methoxy)-2-(pyrazin-2-yl)benzo[d]oxazole (100% inhibition).
12085	1	In Vitro Detection of the Inhibitory Activity of Compounds Against PDE 3A Enzyme	Experimental objective: to determine the AMP/GMP expression based on fluorescence polarization, i.e., to trace binding of AMP/GMP to antibody so as to indicate enzyme activity.Reagents:Experimental buffer solution: 10 mM Tris-HCl (pH 7.5), 5 mM MgCl2, 0.01% Brij 35, 1 mM Dithiothreitol (DTT), and 1% DMSO.Enzyme: recombinant human PDE3A (Gene accession number: NM_000921; amino acid 669-end) was expressed by baculovirus in Sf9 insect cells using an N-terminal GST tag, with molecular weight being 84 kDa.Enzyme substrate: 1 &#956;M cAMPDetection: Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer.Procedure:1. The recombinant human PDE3A enzyme and enzyme substrate (1 &#956;M cAMP) were each dissolved in newly-prepared experimental buffer solution;2. The PDE3A enzyme buffer solution was transferred into reaction wells;3. The compound which was dissolved in 100% DMSO was added to the reaction wells containing PDE3A enzyme buffer solution by acoustic technique (echo 550; millilambda range) and the mixture was incubated for 10 minutes at room temperature;4. The enzyme substrate buffer solution was added to the above reaction wells to initiate reaction;5. The resulting mixture was incubated at room temperature for 1 hour;6. The detection mixture (Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer) was added to stop the reaction, and the resulting mixture was incubated for 90 minutes while slowly mixing. The measurement range of fluorescence polarization was Ex/Em=620/688.Data analysis: the fluorescence polarization signal was converted to nM based on AMP/GMP standard curve and the percentage enzyme activity relative to DMSO control calculated by Excel. GraphPad Prism was used for curve fitting (drawing medical icon). 
12085	2	In Vitro Detection of the Inhibitory Activity of Compounds Against PDE 4B Enzyme	Experimental objective: to determine the AMP/GMP expression based on fluorescence polarization, i.e., to trace binding of AMP/GMP to antibody so as to indicate enzyme activity.Reagents:Experimental buffer solution: 10 mM Tris-HCl (pH 7.5), 5 mM MgCl2, 0.01% Brij 35, 1 mM DTT, and 1% DMSO.Enzyme: recombinant human PDE4B (Gene accession number: NM_002600; amino acid 305-end) was expressed by baculovirus in Sf9 insect cells using an N-terminal GST tag, with molecular weight being 78 kDa.Enzyme substrate: 1 &#956;M cAMPDetection: Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer.Procedure:1. The recombinant human PDE4B enzyme and enzyme substrate (1 &#956;M cAMP) were each dissolved in newly prepared experimental buffer solution;2. The PDE4B enzyme buffer solution was transferred into reaction wells;3. The compound which was dissolved in 100% DMSO was added to the reaction wells containing PDE4B enzyme buffer solution by acoustic technique (echo 550; millilambda range) and the mixture was incubated for 10 minutes at room temperature;4. The enzyme substrate buffer solution was added to the above reaction wells to initiate reaction;5. The resulting mixture was incubated at room temperature for 1 hour;6. The detection mixture (Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer) was added to stop the reaction, and the resulting mixture was incubated for 90 minutes while slowly mixing. The measurement range of fluorescence polarization was Ex/Em=620/688.Data analysis: the fluorescence polarization signal was converted to nM based on AMP/GMP standard curve and the percentage enzyme activity relative to DMSO control calculated by Excel.
12086	1	Biological Activity Assay	SARS-CoV-2 3C-like (3CL) protease fluorescence assay (FRET): Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 &#956;L of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 &#956;L assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 &#956;L of 3CL-protease substrate (40 &#956;M) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 &#956;M).
12087	1	Inhibition Tests on JAK-1, JAK-2 and JAK-3 Kinases	In Kinase Reaction, JAK-1, JAK-2 or JAK-3 may transfer &#947;-phosphoric acid in ATP onto a single tyrosine residue of a peptide substrate; and there were JAK-1, JAK-2 or JAK-3 inhibitors in the system, &#947;-phosphoric acid groups on ATP would be not transferred onto the peptide substrate, thus resulting in the failure of phosphorylation. An evaluation experiment was designed based on the principle, a peptide substrate was designed with kinase phosphorylation sites, namely, protein restriction enzyme cutting sites; and both ends thereof were respectively connected with 2 fluorophores as a donor and a receptor respectively; if the kinase kept activity in the system, a &#947;-phosphonic acid group was transferred onto restriction enzyme cutting sites of the substrate, so that the &#947;-phosphonic acid group would not be cut and separated into two segments by a protease; moreover, under the stimulation of a laser having a specific wavelength, energy from a segment of fluorescence would be transferred onto another end of fluorophores, thus emitting energy. Otherwise, after kinase activity was inhibited, phosphoric acid groups would be not transferred, and restriction enzyme cutting sites in the substrate would be cut by a kinase in the system to separate the substrate into two segments, thereby no energy transfer of fluorescence occurred. Based on this, the activity of the kinase was evaluated. In this experiment, a 10 &#956;l kinase reaction system was selected, firstly, 2.5 &#956;l kinase (concentration: 1 nM), 2.5 &#956;l peptide substrate (concentration: 2 &#956;M), 2.5 &#956;l ATP (concentration: 10 PM) and 2.5 &#956;l compound were added to each system for reaction for 1 h at room temperature, and then a 5 &#956;l test solution was added for reaction for 1 h at room temperature, then a 5 &#956;l stop buffer was added. A microplate reader (Synergy H1, BioTek, USA) was used to measure fluorescence intensity (emission intensity of coumarin at 445 nm and emission intensity of fluorescein at 520 nm were detected under the stimulation of 400 nm).
12088	1	Human Indoleamine 2,3-Dioxygenase (IDO) Enzyme Assay	Human indoleamine 2,3-dioxygenase (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N&#8242;-formylkynurenine. The assays were performed at room temperature as described in the literature using 95 nM IDO and 2 mM D-Trp in the presence of 20 mM ascorbate, 5 &#956;M methylene blue and 0.2 mg/mL catalase in 50 mM potassium phosphate buffer (pH 6.5). The initial reaction rates were recorded by continuously following the absorbance increase at 321 nm due to the formation of N&#8242;-formlylkynurenine.
12089	1	RGS2 Inhibition Assay	All selected compounds were purchased and tested for their ability to inhibit RGS2-Galpha-q interaction in NanoBit assays. The same assay was also used to test the compounds&#39; ability to inhibit RGS4-Galpha-q interaction as a measure of selectivity. RGS4 was not part of the docking calculations performed here because no structure is available for the human RGS4. It was used in the assays, nonetheless, to test for the validity of our docking approach to selectivity and binding. As Table 1 shows, all 10 compounds selected inhibited RGS2-Galpha-q interaction with moderate to high potency. AJ-1 proved to be the most potent inhibitor, with an IC50 value of 0.04 &#956;M, which was expected since it showed the largest number of correct poses with RGS2, despite having the lowest average docking score. AJ-1 also proved to be highly selective towards RGS2 over RGS4 with a selectivity ratio of 289; second only to AJ-10.AJ-10 is a moderate inhibitor with an IC50 of 7804 but it the most selective of all inhibitors tested since we could not determine an IC50 for it with RGS4.These results show reasonable agreement between our computational predictions and the experimental results. It also illustrates the importance of taking both the number of poses together with the docking scores into account when interpreting docking results instead of relying on one but not the other.
12090	1	In Vitro hFAP Inhibition Assay	The enzymatic activity of hFAP on the substrate Z-Gly-Pro-AMC was measured at room temperature on a microtiter plate reader, monitoring the fluorescence at an excitation wavelength of 360 nm and an emission wavelength of 465 nm. The assay was performed by mixing the substrate (20 &#956;M), hFAP (200 &#956;M, constant), and the inhibitors in assay buffer (50 mM Tris, 1 M NaCl, 1 &#956;g/mL BSA, pH=7.5), with serial dilution of the inhibitors ranging from 250 nM to 2 fM, 1:2 in a total volume of 20 &#956;L. FAPI-46 was used as positive control. Experiments were performed in triplicate, and the mean fluorescence values were fitted using Graph Pad Prism 9 (equation used: Y=Bottom+(Top&#8722;Bottom)/(1+((X{circumflex over (&#8195;)}HillSlope)/(IC50{circumflex over (&#8195;)}HillSlope)))). 
12091	1	Kinase Assay	The assay is not in detail.
12092	1	Measurement of FXIa Inhibition	Test substances are dissolved in dimethyl sulfoxide and serially diluted in dimethyl sulfoxide (3000 &#956;M to 0.0078 &#956;M; resulting final concentrations in the test: 50 M to 0.00013 &#956;M). In each case 1 &#956;l of the diluted substance solutions is placed into the wells of white microtitre plates from Greiner (384 wells). 20 &#956;l of assay buffer (50 mM of Tris/HCl pH 7.4; 100 mM of sodium chloride; 5 mM of calcium chloride; 0.1% of bovine serum albumin) and 20 &#956;l of factor XIa from Kordia (0.45 nM in assay buffer) are then added successively. After 15 min of incubation, the enzyme reaction is started by addition of 20 &#956;l of the factor XIa substrate Boc-Glu(OBzl)-Ala-Arg-AMC dissolved in assay buffer (10 &#956;M in assay buffer) from Bachem, the mixture is incubated at room temperature (22° C.) for 30 min and fluorescence is then measured (excitation: 360 nm, emission: 460 nm). The measured emissions of the test batches with test substance are compared to those of control batches without test substance (only dimethyl sulfoxide instead of test substance in dimethyl sulfoxide), and IC50 values are calculated from the concentration/activity relationships. 
12093	1	Biochemical Assay	The protocol for basic TR-FRET LanthaScreen Tb Kinase Activity Assay inhibitor studies were as follows. LanthaScreen Kinase Activity Assays (ThermoFisher/USA) to evaluate inhibitors were performed by addition of 100 nL of test compound in corresponding DMSO dilutions/5 &#956;L of kinase/fluorescein-ERM(LRRKtide) peptide mixture, 5 &#956;L of ATP into 384 well small volume plates. After incubation for 120 minutes at room temperature, the detection reagents containing Tb-anti-pLRRKtide antibody were added to monitor phosphrylation level of peptide. Then, after 60 min minutes incubation at room temperature plates were read in Envision. Data analysis of emission ratios was according to LanthaScreen Tb Kinase Activity Assay protocol.Kinase and assay components were adjusted to final concentrations according to the kit protocol. For LRRK2: 2 nM wt human LRRK2, catalytic site, catalytic site (ThermoFisher/USA), 400 nM peptide, 38 &#956;M ATP in 1× Kinase Buffer A.Basic protocol for TR-FRET LanthaScreen Tb Kinase Activity Assay inhibitor studies involved two steps:Enzymatic step: Addition of 100 nL of test compound in corresponding DMSO dilutions, 5 &#956;L of kinase/substrate mixture, 5 &#956;L of ATP into 384 well small volume plates. Incubation for 120 minutes at room temperature.Detection step: Addition of 10 &#956;L EDTA & antibody, read plate after 60 minutes. Data analysis of emission ratios according to KinEASE assay protocol.Kinase and assay components were adjusted to final concentrations according to the kit protocol.
12094	1	TBD	TBD
12094	2	TBD	TBD
12095	1	SIRT2 Enzyme Activity Assay	The SIRT2 enzyme activity assay is established based on the published studies. Firstly, peptide segment Ac-Gln-Pro-Lys-[Lys-(Ac)]-AMC, the substrate of SIRT2, was synthesized to serve as a substrate in the enzyme activity assay. The attached fluorescent label was AMC (7-Amino-4-methylcoumarin). The whole assay includes two steps: the catalytic reaction was carried out in 60 &#956;L of reaction solution (25 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2 and 1 mg/mL BSA) with the addition of 500 &#956;M NAD+, 50 &#956;M of substrate peptide, 1.0 &#956;g of SIRT2, and Compounds 1-18 with different concentrations. The reaction was carried out at 37° C. for 2 hours. In this reaction, the acetyl group of Lysine residue on the small molecule peptide segment was removed to varying degrees. Afterwards, 60 &#956;L of sample treating solution (50 mM Tris-HCl, pH 8.0, 100 mM NaCl, Trypsin and 4 mM nicotinamide) was added to the reaction solution and mixed, and placed at 37° C. for 20 min. Absorption intensity was measured by the enzyme-labeled instrument configured as an excitation light of 355 nm and an absorption light of 460 nm.
12096	1	In Vitro Activity Assay	In Vitro Testing of mGluR4 Potency The in vitro activity of the compounds according to the invention may be investigated as follows: The HEK293 cell overexpressing the human metabotropic Glutamate 4 receptor are thawed at 37 C. and immediately diluted with cell culture medium. After centrifugation, the cell pellet is re-suspended in medium and then distributed from a stirred spinner flask into the wells of the assay plate. The plates are incubated for one hour at room temperature before they are incubated for 24 hours at 37 C./5% CO2. After washing the cells in the plate three times with 80 uL HBSS/HEPES buffer (10 uL buffer remained in the wells after washing), 5 uL per well of compounds diluted in HBSS/HEPES buffer containing 0.2% BSA (final concentration: 0.1%) and 1 mM IBMX (final concentration: 0.5 mM) are added to the wells of the assay plate. Thereafter 5 uL per well of L-Glutamic acid (final concentration: 10 uM), forskolin (final concentration: 1 uM) and 1 mM IBMX (final concentration: 0.5 mM) dissolved in HBSS/HEPES buffer containing 0.2% BSA (final concentration: 0.1%) are added to the assay plate (final DMSO concentration: 1%). Several wells of the assay plate are used either for the positive and the negative controls or for the cAMP standard curve. The assay plate is incubated for 30 minutes at room temperature. Then 5 ul per well of Anti-cAMP-Antibody-d2 solution and 5 ul per well of cAMP-Europium Cryptate dilution are added to all wells of the plate and the plate is incubated another 60 minutes light protected at room temperature. The emission at 615 nm and 665 nm (Excitation wavelength: 320 nm) are measured on the EnVision reader (Perkin Elmer). The ratio between the emission at 665 nm and 615 is calculated by the reader. The whole assay is performed in the dark or under green light. The cAMP standard is prepared by diluting the cAMP stock solution with HBSS/Hepes buffer: 5 ul/well of the cAMP dilutions (in HBSS/Hepes buffer containing 1 mM IBMX and 0.2% BSA final concentration: 0.5 mM IBMX and 0.1% BSA) are added to 10 ul/well HBSS/Hepes buffer plus 5 ul/well 4% DMSO in HBSS/Hepes containing 0.2% BSA (final DMSO concentration: 1% like in the wells containing compounds) in the wells of the assay plate.
12097	1	SIK2 Enzymatic Assay High Version 2 (High ATP)	All steps were performed at room temperature. Compounds were pre-plated onto an assay plate using an Echo acoustic dispenser (Labcyte, E550 or E555) at 80 nL per well. Enzyme prepared in assay buffer at 6 nM (2× final concentration) was added at 4 &#956;L per well using the Multidrop Combi (Thermo Fisher-used for all additions in this assay) to the assay plate, spun for 1 min at 1000 rpm (Allegra 6KR Beckman Coulter centrifuge), and incubated with compound for 30 minutes. Assay buffer containing 6 mM ATP and 400 &#956;M HDAC5tide (2× of final concentration for each substrate) was added at 4 &#956;L per well to the assay plate and then spun as above and incubated for 2 hours. Note that typically one column of wells was dedicated to a no-enzyme negative control (containing ATP and peptide) and another dedicated to DMSO only (maximal enzyme activity). ADP-Glo Max Reagent (prepared and aliquoted as per manufacturer instructions) was then added at 8 &#956;L per well, spun and incubated for 2 hours. ADP-Glo Max Detection (prepared and aliquoted as per manufacturer instructions) was added at 8 &#956;L per well to the assay plate, which was spun and incubated for 1 hour. The plate was then read on the Pherastar (BMG Labtech) using a luminescence read. Gain was set between 2200-2500.
12097	2	SIK2 Enzymatic Assay	All steps were performed at room temperature. Compounds were pre-plated onto an assay plate using an Echo acoustic dispenser (Labcyte, E550 or E555) at 20 nL per well. Enzyme prepared in Assay Buffer at 0.6 nM (2× final concentration) was added at 2 &#956;L per well using the Multidrop Combi (Thermo Fisher-used for all additions in this assay) to the assay plate, spun for 1 min at 800-850 rpm (Allegra 6KR Beckman Coulter centrifuge), and incubated with compound for 30 minutes. Assay Buffer containing 160 &#956;M ATP and 140 &#956;M HDAC5tide (2× of final concentration for each substrate) was added at 2 &#956;L per well to the assay plate and then spun as above and incubated for 4 hours.One column of wells was dedicated to a no-peptide negative control (containing only ATP). ADPGlo Reagent (prepared and aliquoted as per manufacturer instructions) was then added at 2 &#956;L per well, spun and incubated for 40 min. ADPGlo Detection (prepared and aliquoted as per manufacturer instructions) was added at 2 &#956;L per well to the assay plate, which was spun and incubated for at least 30 min. The plate was then read on the Pherastar (BMG Labtech) using a luminescence read. Gain was set by the 0.1 mM concentration of ADP wells in the ADP/ATP standard curve plate generated as per manufacturer instructions.
12098	1	HTRF Assay	a) 10 nL of compound dilution was transferred to each well of the test plate;b) the compound plate was centrifuged at 1000 g for 1 min;c) the test plate was sealed;d) 5× Ret-wt (0.2 ng/L), 5× Ret V804M (0.5 ng/L), and 2.5× RET G810R (2.5 ng/L) in 1× kinase buffer were prepared;e) 2 &#956;L of 5× Ret-wt, 2 L of Ret V804L, or 2 L of RET G810R was added to a 384-well test plate;f) 4 &#956;L of 1× kinase buffer was added to each well of the test plate, and the sample plate was centrifuged at 1000 g for 30 s and left to stand at room temperature for 10 min;g) a solution of 5× TK-substrate-biotin (5 &#956;M) in kinase buffer and 5× ATP (50 &#956;M) in kinase buffer were prepared;h) the reaction was initiated by adding 2 L of STK-substrate-biotin and 2 L of ATP (prepared in step g);i) the sample plate was centrifuged at 1000 g for 30 s, and the test plate was sealed and left to stand at room temperature for 30 min;j) 4× Sa-XL 665 (250 nM) in HTRF assay buffer was prepared;k) 5 L of Sa-XL 665 and 5 &#956;L of TK-antibody-Cryptate (prepared in step i) were added to each well of the test plate;l) the plate was centrifuged at 1000 g for 30 s, and left to stand at room temperature for 1 h; andm) fluorescence signal values of 615 nm/620 nm (G810R) (Cryptate) and 665 nm (XL665) were read on an Envision 2104 microplate reader or BioTek microplate reader.
12099	1	LRRK2 Km ATP LanthaScreen Assay	IC50 (half-maximal inhibitory concentration) represents the concentration of inhibitor required to inhibit LRRK2 kinase activity by 50%. Assays were performed in the presence of 134 uM ATP (Km ATP). Upon completion, the assay was stopped, and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 uM in 100% DMSO, followed by custom fold serial dilution in DMSO nine times. 20 nL of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 uL of a 1.25 nM enzyme solution in 1 assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-min incubation period at rt, the kinase reaction was started with the addition of 5 uL of 400 nM fluorescein-labeled LRRKtide (LRRK2 phosphorylated ezrin/radixin/moesin (ERM)) peptide substrate and 134 uM ATP solution in 1 assay buffer. The reaction was allowed to progress at ambient temperature for 90 min. The reaction was then stopped by the addition of 20 uL of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide (LRRK2 phosphorylated ezrin/radixin/moesin (ERM)) antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation period of 1 h at rt, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm. Compound IC50 values were interpolated from nonlinear regression best-fits of the log of the final compound concentration, plotted as a function of the 520/495-nm emission ratio using activity base Abase ). Abase uses a 4 parameter (4P) logistic fit based on the Levenberg-Marquardt algorithm.
12100	1	AlphaScreen Binding Assay	These assays measure the inhibitory effect of compounds on KRAS mutant protein-protein interactions using the Alpha Screen technology by Perkin Elmer.The following (mutant) enzyme forms of KRAS and interacting proteins are used in these assays at the given concentrations:KRAS (G12D) 1-169, N-terminal 6His-tag, C-terminal avi-tag (Xtal BioStructures, Inc.); final assay concentration 10 nM and SOS1 564-1049, N-terminal 229 GST-tag, TEV cleavage site (Viva Biotech Ltd); final assay concentration 5 nM;KRAS (G12C) 1-169, N-terminal 6His-tag for purification, cleaved off, C-terminal avi-tag, biotinylated, mutations: C51S, C80L, C118S (in house); final assay concentration 7.5 nM and SOS1 564-1049, N-terminal 229 GST-tag, TEV cleavage site (Viva Biotech Ltd); final assay concentration 5 nM;KRAS (G12V) 1-169, N-terminal 6His-tag for purification, cleaved off, C-terminal avi-tag, biotinylated, TEV cleavage site, mutation: C118S, GDP loaded (in house); final assay concentration 10 nM and SOS1 564-1049, N-terminal 229 GST-tag, TEV cleavage site (Viva Biotech Ltd); final assay concentration 10 nM;KRAS (G13D) 1-169, N-terminal 6His-tag for purification, cleaved off, C-terminal avi-tag, biotinylated, TEV cleavage site, mutation: C118S, GDP loaded (in house); final assay concentration 10 nM and SOS1 564-1049, N-terminal 229 GST-tag, TEV cleavage site (Viva Biotech Ltd); final assay concentration 10 nM;KRAS (WT) 1-169, N-terminal 6His-tag for purification, cleaved off, C-terminal avi-tag, biotinylated, TEV cleavage site, mutation: C118S, GDP loaded (in house); final assay concentration 10 nM and SOS1 564-1049, N-terminal 229 GST-tag, TEV cleavage site (Viva Biotech Ltd); final assay concentration 10 nM.Test compounds dissolved in DMSO are dispensed onto assay plates (Proxiplate 384 PLUS, white, PerkinElmer; 6008289) using an Access Labcyte Workstation with the Labcyte Echo 55 . For the chosen highest assay concentration of 100 uM, 150 nL of compound solution are transferred from a 10 mM DMSO compound stock solution. A series of eleven fivefold dilutions per compound are transferred to the assay plate, compound dilutions are tested in duplicates. DMSO are added as backfill to a total volume of 150 nL.The assays run on a fully automated robotic system in a darkened room below 100 Lux. To 150 nl of compound dilution 10 ul of a mix including KRAS mutant protein...
12101	1	Assay of the Activity of Inhibiting KRASG12D	1) KRAS Nucleotide Exchange Buffer20 mL of 1000 mM HEPES, 20 mL of 500 mM EDTA, 10 mL of 5 M sodium chloride, 0.1 mL of 100% Tween 20, and 949.9 mL of water were weighed and formulated to 1 L of solution. The solution was sterilized by filtration and stored at 4° C.2) KRAS Assay Buffer20 mL of 1000 mM HEPES, 10 mL of 1000 mM magnesium chloride, 30 mL of 5 M sodium chloride, 0.05 mL of 100% Tween 20, and 939.95 mL of water were weighed and formulated to 1 L of solution. The solution was sterilized by filtration and stored at 4° C.3) KRAS/Bodipy GDP/Tb-SA Mixture9.5 &#956;L of 95 &#956;M KRASG12D protein and 440.5 &#956;L of KRAS nucleotide exchange buffer were weighed and mixed. The mixture was incubated at room temperature for 1 hour, and then formulated to 1 L of solution together with 8.4 &#956;L of 17.9 &#956;M Tb-SA, 1.8 &#956;L of 5 mM Bodipy GDP and 9539.8 &#956;L of KRAS assay buffer. After mixing, the solution was left to stand at room temperature for 6 hours, and stored at &#8722;80° C.b. Assay Reagents:1) KRAS Kinase Solution73.3 &#956;L of KRAS/Bodipy GDP/Tb-SA mixture and 2126.7 &#956;L of KRAS assay buffer were weighed and formulated to 2200 &#956;L of solution.2) SOS/GTP Mixture1.59 &#956;L of 166 &#956;M SOS protein, 198 &#956;L of 100 mM GTP and 2000.41 &#956;L of KRAS assay buffer were weighed and formulated to 2200 &#956;L of solution.4. Assay Process1) The concentration of a stock solution of the control compound was 1 mM, and the concentration of a stock solution of compounds to be assayed was 10 mM. 9 &#956;L of the control compound and compounds to be assayed were transferred to a 384-LDV plate;2) The compounds on the LDV plate were serially diluted 3-fold with Bravo to 10 concentrations;3) 9 nL of the compounds on the LDV plate were transferred to an assay plate using ECHO;4) 3 &#956;L of 3 nM Kras/0.5 nM TB-SA/30 nM BodipyGDP mixture and 3 &#956;L of Ras buffer were sequentially added to each well of the assay plate using a Dragonfly automatic sampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;5) The assay plate was incubated at room temperature for 1 hour;6) 3 &#956;L of 120 nM SOS/9 mM GTP mixture was added to each well of the assay plate using a Dragonfly automatic sampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;7) The assay plate was incubated at room temperature for 1 hour;8) The plate was read with Envision and data were recorded;9) The data were analysed using Excel and Xlfit, and IC50 of the compounds to be assayed were calculated.
12102	1	LATS1 High ATP HTRF Assay	The LATS1 biochemical assay was performed using the HTRF KinEASE-STK S1 Kit (Cisbio, Cat #62ST1PEC), following the protocol from the manufacturer. Compounds were dispensed by the Echo Liquid Handler (Labcyte) into a white 384-well plate (PerkinElmer, Cat #6008289). 3 uL of 2xLATS1 enzyme solution was added to the compounds, followed by a 10 minute incubation at room temperature. Then, 3 uL of 2xATP and STK S1 peptide solution was added to initiate the enzyme reaction for one hour at room temperature. The final condition of the reaction was 0.025 nM LATS1, 5000 uM ATP, 0.5 uM STK S1 peptide in 50 mM HEPES pH 7.2, 10 mM MgCl2, 0.1% BGG, 0.005% Brij-35, 1 mM DTT. The reaction was quenched and the HTRF signal was read.
12102	2	Standard LATS2 HTRF Assay	Human LATS2 catalytic domain which contains the amino acids G553-V1088 (accession NP_055387) was purified in-house. The LATS2 catalytic domain was co-purified with Mob1b (accession NP_775739). The LATS2 biochemical HTRF assay was performed using the HTRF KinEASE-STK S1 Kit (Cisbio, Cat #62ST1PEC), following the protocol from the manufacturer. Compounds were dispensed by the Echo Liquid Handler (Labcyte) into a white 384-well plate (PerkinElmer, Cat #6008289). 3 uL of 2×LATS2 enzyme solution was added to the compounds, following by a 10 minute incubation at room temperature. Then, 2×ATP and STK S1 peptide solution was added to initiate the one hour enzyme reaction at room temperature. The final condition of the reaction was 0.2 nM LATS2, 50 &#956;M ATP, 0.5 &#956;M STK S1 peptide in 50 mM HEPES pH7.2, 10 mM MgCl2, 0.1% BGG, 0.005% Brij-35, 1 mM DTT. The reaction was quenched by adding 6 uL of the detection mixture which contained Streptavidin XL665 and STK Antibody-Cryptate (Cisbio), incubate for 1 hour at room temperature. The HTRF (665 nm/620 nm) signal was read on the Envision plater reader (PerkinElmer). The IC50 values were determined by fitting the % inhibition with a nonlinear four-parameter logistical equation. The Ki values were calculated using the Cheng-Prusoff equation for a competitive inhibitor, IC50&#9552;Ki (1+S/Km)+M [E] with ATP Km for LATS2=105 &#956;M. 
12103	1	Human DGKalpha Kinase Activity Inhibition Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in dimethyl sulfoxide (DMSO, Sigma) was pipetted into either a white 1536-well or a white low-volume 384-well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany). Subsequently, 2 &#956;l of a solution of human DGK&#945; in aqueous assay buffer [50 mM (3-(N-morpholino)propanesulfonic acid (MOPS, pH 7.4, Sigma-Aldrich), 1 mM dithiothreitol (DTT, Sigma-Aldrich), 100 mM NaCl (Sigma-Aldrich), 10 mM MgCl2 (Sigma-Aldrich), 0.1% (w/v) bovine gamma globulin (BGG, Sigma-Aldrich), 1 &#956;M CaCl2 (Sigma-Aldrich)] were added to the wells, and the mixture was incubated for 15 min at &#955;2° C. to allow pre-binding of the test compounds to the enzyme. The reaction was initiated by the addition of 3 &#956;l of substrate solution [preparation described above; 11.7 &#956;M 1,2-dioleoyl-sn-glycerol (=>final conc. in the 5 &#956;l assay volume is 7 &#956;M), 8.33 mM octyl-&#956;-D-glucopyranoside (=>final conc. in 5 &#956;l assay volume is 5 mM), and 91.67 &#956;M adenosine triphosphate (=>final conc. in 5 &#956;l assay volume is 55 &#956;M) in assay buffer] and the resulting mixture was incubated for a reaction time of 20 min at 22° C. The concentration of DGK a was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.1 nM. The reaction was stopped by the addition of 2.5 &#956;l of &#147;ADP-Glo-reagent&#148; (1 to 1.5 diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP no t consumed in the kinase reaction completely to cAMP. Subsequently 2.5 &#956;l of the &#147;kinase detection reagent&#148; (1.2-fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux&#153; from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the DGK&#945;.
12104	2	[3H]Dihydrotetrabenazine ([3H]DTBZ) Binding Assay	Synaptic vesicles were prepared from rat brain using a modification of a previously described procedure (Teng et al., 1998). Briefly, fresh whole brain (excluding cerebellum) was homogenized using a Teflon pestle (clearance 0.003 inches) with 7 vertical strokes at 800 rpm in 20 vol of ice-cold 0.32 M sucrose and centrifuged at 1000 g for 12 min at 4 C. The resulting supernatant (S1) was then centrifuged at 22,000 g for 10 min at 4 C. The synaptosomal pellets (P2) were homogenized in 18 mL of ice-cold Milli-Q water and exposed for 5 min for lysing synaptosomes. Osmolarity was restored by addition of 2 mL of 25 mM HEPES with 100 mM dipotassium tartrate (pH 7.5). Samples were centrifuged at 20,000 g for 20 min at 4 C. to remove lysed synaptosomal membranes. MgSO4 (1 mM) was added to the supernatant (S3), and was centrifuged at 100,000 g for 45 min at 4 C. The final vesicular pellets (P4) were resuspended in ice-cold assay buffer (see below) providing 15 ug protein/100 uL, determined by the method of Bradford (1976) using bovine serum albumin as a the standard. Aliquot parts (100 uL) of suspension of vesicle membrane protein were incubated in assay buffer (25 mM HEPES, 100 mM dipotassium tartrate, 5 mM MgSO4, 0.1 mM EDTA and 0.05 mM EGTA, pH 7.5, at 25 C.) in the presence of 3 nM [3H]DTBZ and at least 7 concentrations (1 nM-1 mM) of compound for 1 hr at room temperature. Nonspecific binding was determined in the presence of 20 uM tetrabenazine, a standard compound. Assays were performed in duplicate using a 96-well plate format. Reactions were terminated by filtration of samples on a Unifilter-96 GF/B filter plates (presoaked in 0.5% polyethylenimine), using a FilterMate harvester (Packard BioScience Co., Meriden, Conn.). After washing 5 times with 350 uL of the ice-cold wash buffer (25 mM HEPES, 100 mM dipotassium tartrate, 5 mM MgSO4 and 10 mM NaCl, pH 7.5), filter plates were dried, sealed and each well filled with 40 uL Packard's MicroScint 20 cocktail. Bound [3H]DTBZ was measured using a Packard TopCount NXT scintillation counter with a Packard Windows NT based operating system.
12104	3	[3H]Dopamine ([3H]DA) Uptake Assay	Inhibition of [3H]DA uptake was conducted using isolated synaptic vesicle preparations (Teng et al., 1997). Briefly, rat striata were homogenized with 10 up-and-down strokes of a Teflon pestle homogenizer (clearance 0.003) in 14 ml of 0.32 M sucrose solution. Homogenates were centrifuged (2,000 g for 10 min at 4 C.), and then the supernatants were centrifuged (10,000 g for 30 min at 4 C.). Pellets were resuspended in 2 ml of 0.32 M sucrose solution and subjected to osmotic shock by adding 7 ml of ice-cold MilliQ water to the preparation. After 1 min, osmolarity was restored by adding 900 ul of 0.25 M HEPES buffer and 900 ul of 1.0 M potassium tartrate solution. Samples were centrifuged (20,000 g for 20 min at 4 C.), and the supernatants were centrifuged (55,000 g for 1 hr at 4 C.), followed by addition of 100 ul of 10 mM MgSO4, 100 ul of 0.25 M HEPES and 100 ul of 1.0 M potassium tartrate solution prior to the final centrifugation (100,000 g for 45 min at 4 C.). Final pellets were resuspended in 2.4 ml of assay buffer (25 mM HEPES, 100 mM potassium tartrate, 50 uM EGTA, 100 uM EDTA, 1.7 mM ascorbic acid, 2 mM ATP-Mg2+. pH 7.4). Aliquots of the vesicular suspension (100 ul) were added to tubes containing assay buffer, various concentrations of compound (0.1 nM-10 mM) and 0.1 uM [3H]DA in a final volume of 500 ul, and incubated at 37 C. for 8 min. Nonspecific uptake was determined in the presence of the standard compound, Ro4-1284 (10 uM). Reactions were terminated by filtration, and radioactivity retained by the filters was determined by liquid scintillation spectrometry (Tri-Carb 2100TR liquid scintillation analyzer; PerkinElmer Life and Analytical Sciences, Boston, MA).
12104	1	[3H]DA and [3H]5-HT Uptake Assay	[3H]DA and [3H]5-HT uptake into striatal synaptosomes was determined to evaluate compound inhibition of the dopamine transporter (DAT) and the serotonin transporter (SERT), respectively. Striata from individual rats were homogenized in ice-cold sucrose solution containing 5 mM NaHCO3 (pH 7.4), with 16 up-and-down strokes of a Teflon pestle homogenizer (clearance&#8776;0.003&#8243;). Homogenates were centrifuged at 2000 g for 10 min at 4° C., and resulting supernatants were centrifuged at 20.000 g for 17 min at 4° C. Pellets were resuspended in 2.4 mL (for DAT assays) or 1.5 mL (for SERT assays) of assay buffer (125 mM NaCl, 5 mM KCl, 1.5 mM MgSO4, 1.25 mM CaCl2, 1.5 mM KH2PO4, 10 mM alpha-D-glucose, 25 mM HEPES, 0.1 mM EDTA, 0.1 mM pargyline, 0.1 mM ascorbic acid, saturated with 95% O2/5% CO2, pH 7.4). Assays were performed in duplicate in a total volume of 500 &#956;L (for DAT assays) or 250 &#956;L (for SERT assays). Aliquots of the synaptosomal suspension (25 &#956;L for DAT, 50 &#956;L for SERT) were added to tubes containing assay buffer and various concentrations of analog (1 nM-100 &#956;M), and incubated at 34° C. for 5 min. Nonspecific uptake was determined in the presence of nomifensine (10 &#956;M) for DAT assays or fluoxetine (10 &#956;M) for SERT assays. GBR-12935 (100 nM) was included in the assay buffer for the SERT assay to maximally inhibit [3H]5-HT uptake through DAT and isolate uptake to SERT. Samples were placed on ice, and 50 &#956;L of 0.1 &#956;M [3H]DA (for DAT assays) or 25 &#956;L of 0.1 &#956;M [3H]5-HT (for SERT assays) was added to each tube, and incubated for 10 min at 34° C. Reactions were terminated by addition of 3 mL of ice-cold assay buffer and subsequent filtration and radioactivity retained by the filters was determined by liquid scintillation spectrometry (Tri-Carb 2100TR liquid scintillation analyzer; PerkinElmer Life and Analytical Sciences, Boston, MA).
12105	1	HPP Tautomerase Assay	Inhibition of the tautomerase activity of MIF was measured using the substrate 4-hydroxyphenyl pyruvic acid (HPP) in a procedure largely adapted from previous reports. A solution of HPP (10 mM) in acetate buffer (0.5 M ammonium acetate, pH adjusted to 6.0) was prepared and allowed to incubate overnight in the dark at room temperature to allow for equilibration of the keto and enol forms. Following the incubation period, the HPP solution was stored at 4 C. and used for no more than a week. For Ki determination, MIF protein (final concentration: ca. 50 nm) and inhibitor (multiple concentrations in DMSO, maintaining a final DMSO concentration of 1%) were incubated in borate buffer (0.5 M boric acid, pH 6.2) in a U-bottom 96-well plate (Falcon) for 20 minutes. A negative control (containing water and DMSO in lieu of protein and inhibitor, respectively) and a positive control (containing DMSO in lieu of inhibitor) were also prepared. The reaction began upon the addition of HPP solution (final concentration: 1.0 mM and 2.5 mM). The absorbance was monitored at 305 nm for the formation of the borate-enol complex using a Tecan INFINITE F500 plate reader over 175 seconds. Absorbance was measured three times for each [inhibitor]-[HPP] combination. Calculation of initial velocities and the nonlinear regression analyses for the enzyme kinetics were performed using the program Prism 6 (GraphPad), setting the Michaelis-Menten constant (Km) to 2.4. Reported Ki values represent the average value obtained from two assays performed on different days. (R)-ISO-1 (purchased from Santa Cruz Biotechnology) was used as a control.
12106	1	Biochemical Assay	The PTPN2 biochemical assay was performed as follows, a 5× stock solution of human PTPN2 (SRP5075, MilliporeSigma, Burlington, MA) and a 1.25× stock solution of DiFMUP (D6567, ThermoFisher Scientific, Waltham, MA), were prepared in 1× reaction buffer consisting of 50 mM HEPES, pH 7.4, 1 mM EDTA, 150 mM NaCl, 0.2 mg/mL BSA, 100 U/mL catalase and 10 mM DTT. 40 mL of the DiFMUP substrate solution, for a final concentration of 25 mM DiFMUP substrate, was added to a Corning 3574 384-well, white, non-binding surface microtiter plate containing 0.05 mL of serially diluted test compounds prepared in DMSO. The reactions were started with the addition of 10 mL of the enzyme solution, for a final PTPN2 concentration of 0.15 nM, and monitored every 105 seconds for 60 minutes at &#955;EX 360/&#955;EM 460 in a BioTek Synergy HTX plate reader (Agilent Technologies, Santa Clara, CA) at room temperature. The initial linear portions of the progress curves were fit according to a linear equation to yield the slopes and converted to % inhibition based on a value of 100% activity for the no inhibitor treated control. IC50 values of each compound were obtained by fitting the % inhibition-compound concentration curves using Dotmatics software (Dotmatics, Bishops Stortford, Hertfordshire, England).
12107	1	In Vitro Determination of sEH Inhibition Activity Assay	The fluorescent assay was used with purified recombinant human or mouse sEH proteins. The enzymes were incubated at 30° C. with the inhibitors ([I]final=0.4-100,000 nM) for 5 min in 100 mM sodium phosphate buffer (200 &#956;L, pH 7.4) containing 0.1 mg/mL of BSA and 1% of DMSO. The substrate (CMNPC) was then added ([S]final=5 &#956;M). Activity was assessed by measuring the appearance of the fluorescent 6-methoxynaphthaldehyde product (&#955;ex=330 nm, &#955;em=465 nm) every 30 seconds for 10 min at 30° C. on a SpectraMax M2 (Molecular Devices). Results were obtained by regression analysis from a linear region of the curve. All measurements were performed in triplicate and the mean is reported. t-TUCB, a classic sEH inhibitor, was run in parallel and the obtained IC50s were corroborated with reported literature values, to validate the experimental results.
12108	1	In Vitro Testing of mGluR4 Potency	The in vitro activity of the compounds according to the invention may be investigated as follows:[0111]The HEK293 cell overexpressing the human metabotropic Glutamate 4 receptor are thawed at 37 C. and immediately diluted with cell culture medium. After centrifugation, the cell pellet is re-suspended in medium and then distributed from a stirred spinner flask into the wells of the assay plate. The plates are incubated for one hour at room temperature before they are incubated for 24 hours at 37 C./5% CO2. After washing the cells in the plate three times with 80 uL HBSS/HEPES buffer (10 uL buffer remained in the wells after washing), 5 uL per well of compounds diluted in HBSS/HEPES buffer containing 0.2% BSA (final concentration: 0.1%) and 1 mM IBMX (final concentration: 0.5 mM) are added to the wells of the assay plate. Thereafter 5 uL per well of L-Glutamic acid (final concentration: 10 uM), forskolin (final concentration: 1 uM) and 1 mM IBMX (final concentration: 0.5 mM) dissolved in HBSS/HEPES buffer containing 0.2% BSA (final concentration: 0.1%) are added to the assay plate (final DMSO concentration: 1%). Several wells of the assay plate are used either for the positive and the negative controls or for the cAMP standard curve. The assay plate is incubated for 30 minutes at room temperature. Then 5 ul per well of Anti-cAMP-Antibody-d2 solution and 5 ul per well of cAMP-Europium Cryptate dilution are added to all wells of the plate and the plate is incubated another 60 minutes light protected at room temperature. The emission at 615 nm and 665 nm (Excitation wavelength: 320 nm) are measured on the EnVision reader (Perkin Elmer). The ratio between the emission at 665 nm and 615 is calculated by the reader. The whole assay is performed in the dark or under green light.
12109	1	Biological Assay	Experimental example 1: EGFR, ITK, TEC, and BTK kinase test.1. Reaction condition:Buffer condition: 20 mM HEPES(pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm; DTT, 1% DMSO.2. Reaction procedure:2.1. An indicator substrate was prepared in a reaction buffer prepared newly.2.2. A cofactor required was transferred to the substrate solution above.2.3. A kinase indicated was injected into the substrate solution and mixed gently.2.4. An acoustic technology was used to convey a compound in DMSO to a kinase reaction mixture (Echo550).2.5. 33P-ATP (specific activity 0.01 &#956;ci/&#956;L, finally) was fed into the reaction mixture to initiate a reaction. (ATP final concentrations were 2 &#956;M, 5 &#956;M, and 5 &#956;M respectively).2.6. The kinase reaction was incubated at room temperature for 120 min.2.7. The reaction was recorded on P81 ion exchange paper (Whatman #3698-915).2.8. 0.75% phosphoric acid was widely used to clean a filter.2.9. The remaining radioactive phosphorylation substrate on filter paper was measured.3. Data analysis: the kinase activity data was expressed as a percentage of the remaining kinase activity in the test sample compared to the carrier (dimethyl sulfoxide) reaction. The IC50 value and curve fitting were obtained by using Prism4 software (GraphPad).
12110	1	Assay of Inhibitory Activity of Compounds of the Present Invention Against Wee-1 Kinase	After the serially diluted compound and an enzyme were mixed, the mixture was incubated at room temperature (25° C.) for 15 min, and then centrifuged at 1000 rpm for 1 min for mixing. 5 &#956;L of substrate was added to start the reaction. After the mixture was reacted at room temperature for 60 min, 5 &#956;L of ADP-GLO reagent was added and the mixture was centrifuged at 1000 rpm for 1 min for mixing. The mixture was subsequently incubated at room temperature for 60 min, and then 10 &#956;L of kinase detection reagent was added. The mixture was incubated for 60 min, and the chemiluminescence was determined. 
12111	1	Biochemical Assay	Biochemical Assays for Inhibition of Wild-Type and Mutant EGFRs.The inhibitory activities against EGFR WT, EGFR &#916;752-759 mutant, EGFR &#916;746-750/T790M mutant, EGFR &#916;746-750/C797S mutant, EGFR &#916;746-750/T790M/C797S mutant. EGFR L858R mutant, EGFR L858R/T790M mutant, EGFR L858R/C797S mutant, and EGFR L858R/T790M/C797S mutant were evaluated at Reaction Biology Corporation (See, www.reactionbiology.com) using HotSpot assay platfrom, a radiometric assay based on conventional filter-binding assays, that directly measures kinase catalytic activity toward a specific substrate (Anastassiadis T, et al. Comprehensive Assay of Kinase Catalytic Activity Reveals Features of Kinase Inhibitor Selectivity. Nat Biotechnol. 2011, 29:1039-45). Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer; 20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Compounds were delivered into the reaction, followed 20 minutes later by addition of a mixture of ATP (Sigma, St. Louis MO) and 33P ATP (Perkin Elmer, Waltham MA) to a final concentration of 10 &#956;M. Reactions were carried out at room temperature for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper (Whatman Inc., Piscataway, NJ). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. 
12112	1	Human Factor B Assay	CVF-Bb complex, prepared from purified cobra venom factor, (3 nM) is incubated with a compound of the disclosure at various concentrations for 10 minutes at room temperature in PBS (pH 7.4) containing 10 mM MgCl2 and 0.05% (w/v) CHAPS. Human Complement C3 substrate is added to a final concentration of 1 &#956;M. After 1 hour incubation at room temperature, the enzyme reaction is stopped by addition of a cocktail of concentrated pan-protease inhibitors. The product of the reaction, C3a, is quantified by means of an enzyme-linked-immunosorbent assay and/or denaturing gel electrophoresis (SDS-PAGE). IC50 values are calculated from percentage of inhibition of CVF-Bb activity as a function of test compound concentration. 
12113	1	Inhibition of Ovine COX-1 and COX-2 Catalytic Activity Assay	The target compounds were evaluated for their ability to inhibit ovine COX-1 and COX-2 enzyme catalytic activity (percent inhibition at 50 mm, unless otherwise indicated). IC50 values were determined only for compounds that showed a reasonable COX-1 inhibitory activity (>50%) at 50 mm. Each reported IC50 value and the percentage of inhibition (measured at 50 mm as the tested compound concentration) is the average of the results of three separate assays (triplicate). Enzyme inhibition was determined using a colorimetric COX (ovine) inhibitor screening assay kit (Cayman Chemicals, Ann Arbor, MI, USA) following the manufacturer&#39;s instructions. Stock solutions of test compounds were dissolved in a minimum volume of DMSO.
12114	1	hEP2 cAMP Assay	Stock solutions of test compounds are made at a concentration of 10 mM in DMSO, and serially diluted in DMSO to concentrations required for inhibition dose response curves (tested concentration range 30 &#956;M-0.4 nM; 30 &#956;M-0.015 nM or 1 &#956;M-0.01 nM).PGE2 (Cayman 14010, stock solution: 75 &#956;M in DMSO) is used as agonist at 75 nM final concentration, corresponding to EC80.Two point five microliters of diluted compounds are transferred into the assay plate. Plate is pre-incubated 45 minutes at room temperature. Subsequently, 2.5 microliters of PGE2 (final conc. 75 nM) are transferred into the assay plate. Plate is incubated 30 minutes at room temperature. Five &#956;l of each donor (anti-cAMP cryptate) and acceptor (cAMP-d2) are added and the plate is incubated another hour at room temperature in the dark and then read using a BMG LABTECH PHERAstar reader (Excitation: 337 nm, Emission: 620 and 665 nm).The obtained Delta F (fluorescence) values (665 nm/620 nM) are converted into % cAMP values using the measurements of the cAMP calibrator provided in the kit. For each compound concentration the percentage of cAMP compared to DMSO control value as average±STDEV (each concentration is measured in duplicate) is calculated.
12114	2	hEP4 cAMP Assay	Stock solutions of test compounds are made at a concentration of 10 mM in DMSO, and serially diluted in DMSO to concentrations required for inhibition dose response curves (tested concentration range 30 &#956;M-0.4 nM; 30 &#956;M-0.015 nM or 1 &#956;M-0.01 nM).PGE2 (Cayman 14010, stock solution: 6 &#956;M in DMSO) is used as agonist at 6 nM final concentration, corresponding to EC80.Two point five microliters of diluted compounds are transferred into the assay plate. Plate is pre-incubated 45 minutes at room temperature. Subsequently, 2.5 microliters of PGE2 (final conc. 6 nM) are transferred into the assay plate. Plate is incubated 30 minutes at room temperature. Five &#956;l of each donor (anti-cAMP cryptate) and acceptor (cAMP-d2) are added and the plate is incubated another hour at room temperature in the dark and then read using a BMG LABTECH PHERAstar reader (Excitation: 337 nm, Emission: 620 and 665 nm).The obtained Delta F (fluorescence) values (665 nm/620 nM) are converted into % cAMP values using the measurements of the cAMP calibrator provided in the kit. For each compound concentration the percentage of cAMP compared to DMSO control value as average±STDEV (each concentration is measured in duplicate) is calculated.
12115	1	Fluorescence Assay	&#945;-Synuclein recombinant protein was produced in E. coli. BL21(DE3)RIL E. coli were transformed with a pRK172 bacterial expression plasmid containing the human &#945;-synuclein coding sequence. Freshly transformed BL21 colonies were inoculated into 2 L baffled flasks containing 250 mL sterilized TB (1.2% bactotryptone, 2.4% yeast extract, 0.4% glycerol, 0.17 M KH2PO4, 0.72 M K2HPO4) with 50 &#956;g/ml ampicillin, and incubated overnight at 37° C. with shaking. Overnight cultures were pelleted by centrifugation at 3,900×g for 10 min at 25° C. Bacterial pellets were resuspended in 20 mL osmotic shock buffer (30 mM Tris-HCl, 2 mM EDTA, 40% sucrose, pH 7.2) by gentle vortexing and incubated at room temperature for 10 minutes. The cell suspension was then centrifuged at 8,000×g for 10 min at 25° C. and the pellet was resuspended in 22.5 mL cold H2O before adding 9.4 &#956;L 2 M MgCl2 to each tube. The suspension was incubated on ice for 3 min prior to centrifugation at 20,000×g for 15 min at 4° C. The supernatant was transferred to a fresh tube, streptomyocin was added to a final concentration of 10 mg/mL, and then centrifuged at 20,000×g for 15 min at 4° C. The supernatant from this step was collected and dithiothreitol (DTT) and Tris-HCl were added to final concentrations of 1 mM and 20 mM respectively, before boiling for 10 min to precipitate heat-sensitive proteins, which were pelleted at 20,000×g for 15 minutes at 4° C. The supernatant was collected and filtered through a 0.45 &#956;m surfactant free cellulose acetate filter (Corning, Corning, NY) before loading onto a 1 mL DEAE Sepharose column equilibrated in 20 mM Tris- HCl pH 8, 1 mM EDTA, and 1 mM DTT. The DEAE column was washed with 20 mM Tris- HCl pH 8, 1 mM EDTA, 1 mM DTT before eluting &#945;-synuclein protein in 20 mM Tris-HCl, pH 8, buffer with 1 mM EDTA, 1 mM DTT and 0.3 M NaCl. The purified &#945;-synuclein protein was dialyzed overnight in 10 mM Tris-HCl, pH 7.6, 50 mM NaCl, and 1 mM DTT. Preparations contained greater than 95% &#945;-synuclein protein as determined by SDS-PAGE and BCA assay with a typical yield of 30 mg protein per 250 ml culture.
12116	1	Competitive FP Binding Assay	The Fluorescence Polarization (FP) competitive binding assays were performed to accurately determine the binding affinities of our DCN1 inhibitors. A novel FAM labeled fluorescent probe compound (46) was designed and synthesized based on one of our potent small molecule DCN1 inhibitors. Equilibrium dissociation constants (Kd) values of 46 to both DCN1 and DCN2 proteins were determined from protein saturation experiments by monitoring the total FP values of mixtures composed with the fluorescent probe at a fixed concentration and proteins with increasing concentrations up to full saturation. Serial dilutions of proteins were mixed with 46 to a final volume of 200 &#956;l in the assay buffer (100 mM phosphate buffer, pH=6.5, with 0.02% Tween-20 and 2% DMSO). Final probe concentration was 5 nM for both assays. Plates were incubated at room temperature for 30 minutes with gentle shaking to assure equilibrium. FP values in millipolarization units (mP) were measured using the Infinite M-1000 plate reader (Tecan U.S., Research Triangle Park, NC) in Microfluor 1 96-well, black, round-bottom plates (Thermo Scientific, Waltham, MA) at an excitation wavelength of 485 nm and an emission wavelength of 530 nm. Kd values of 46 were calculated by fitting the sigmoidal dose-dependent FP increases as a function of protein concentrations using Graphpad Prism 6.0 software (Graphpad Software, San Diego, CA).
12117	1	Surface Plasmon Resonance Assay	Kd is measured using surface plasmon resonance assays using a BIACORER-2000 or a BIACORE-3000 (BIAcore, Inc., Piscataway, NJ) at 25 C. with immobilized antigen CM5 chips at 10 response units (RU). Briefly, carboxymethylated dextran biosensor chips (CM5, BIACORE, Inc.) are activated with N-ethyl-N'-(3-dimethylaminopropyl)-carbodiimide hydrochloride (EDC) and N-hydroxysuccinimide (NHS) according to the supplier's instructions. Antigen is diluted with 10 mM sodium acetate, pH 4.8, to 5 ug/ml (0.2 uM) before injection at a flow rate of 5 ul/minute to achieve approximately 10 response units (RU) of coupled protein. Following the injection of antigen, 1 M ethanolamine is injected to block unreacted groups. For kinetics measurements, two-fold serial dilutions of Fab (0.78 nM to 500 nM) are injected in PBS with 0.05% polysorbate 20 (TWEEN-20) surfactant (PBST) at 25 C. at a flow rate of approximately 25 ul/min. Association rates (kon) and dissociation rates (koff) are calculated using a simple one-to-one Langmuir binding model (BIACORER Evaluation Software version 3.2) by simultaneously fitting the association and dissociation sensorgrams. The equilibrium dissociation constant (Kd) is calculated as the ratio koff/kon.
12118	1	Phosphatase (PTPase) Assay	First, the GST fusion of the PTP domains of SHP2, SHP1, and PTP1B were produced and purified as reported by us previously.32 The reactions were performed in a buffer containing 10 mM Tris-HCl (pH 7.2), 100 mM NaCl, 1 mM EDTA, 1 mM dithiothreitol (DTT), and 0.01% Tween-20. Briefly, CNBCA or CNBBA was added first in a serial dilution ranging from 100 &#956;M to 97 nM followed by the enzymes (SHP2, SHP1, or PTP1B) to a final concentration of 1 nM. After 5 min of incubation at room temperature, the reactions were started by adding the artificial substrate DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) to a final concentration of 20 &#956;M for SHP2, 35 &#956;M for SHP1, and 10 &#956;M for PTP1B in a reaction volume of 100 &#956;L; variations in DiFMUP concentrations reflect the reported Km values for the respective PTPs.33 The complete mixture was incubated at 37° C. for 20 min, and fluorescence intensity was measured by the Synergy 4 plate reader at the excitation and emission wavelengths of 360 and 460 nm, respectively. The half inhibitory concentration (IC50) value of each compound was calculated and plotted using Graphpad Prism software. The results showed inhibition of the SHP2 enzyme activity by CNBCA with an IC50 of 0.87 &#956;M and by CNBBA with an IC50 of 5.1 &#956;M (Table 1). While CNBCA showed significant improvement in potency over that of the parent compound (0.87 &#956;M versus 5.0 &#956;M), CNBBA exhibited similar potency as that of the parent compound (5.1 &#956;M versus 5.0 &#956;M). Comparative fold difference calculations showed that CNBCA is better than the parent compound CNBDA and the other new compound (CNBBA) by 5.7 fold and 5.8 fold, respectively.
12119	1	Human DHODH Inhibition Assay	The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239. Briefly, the hDHODH concentration was adjusted in a way that an average slope of approximately 0.2 AU/min served as the positive control (e.g. without inhibitor). The standard assay mixture contained 60 &#956;M 2,6-dichloroindophenol, 50 &#956;M decylubiquinone and 100 &#956;M dihydroorotate. The hDHODH enzyme with or without at least six different concentrations of the compounds was added and measurements were performed in 50 mM TrisHCl, 150 mM KCl and 0.1% Triton X-100 at pH 8.0 and at 30° C. The reaction was started by adding dihydroorotate and measuring the absorption at 600 nm for 2 min. For the determination of the IC50 values, each data point was recorded in triplicate. For the determination of the inhibitory constant Ki, the KM values for DHO and decylubichinon were determined. Afterwards, the compounds were diluted in a dilution series depending on their IC50 values in DMSO.
12120	1	Radioligand Binding Assay	The new compounds have been tested by radioligand binding competition activity at the human 5-HT1A (FAST-0500B), 5-HT2A (FAST-0505B), 5-HT2Cedited (FAST-0507B), 5-HT6 (FAST-0509B), 5-HT7a (FAST-05111B) and D2(long) (FAST-0101B) receptors at seven (7) concentrations, in duplicate. On each day of experimentation, reference compounds were tested at several concentrations in duplicate (n=2) to obtain a dose-response curve and an estimated EC50/IC50 value. Reference values thus obtained for the test were compared to historical values obtained from the same receptor and used to validate the experimental session. For replicate determinations, the maximum variability tolerated in the test was of +/- 20% around the average of the replicates.
12121	1	[35S]-GTP&#947;S Binding Assay	CHO-hCX3CR1 membranes (5 &#956;g per well) together with different concentrations of antagonistic compound were incubated in 50 mM HEPES (pH 7.4), 100 mM NaCl, 5 mM MgCl2, 10 &#956;M GDP and 0.01% gelatin in a MicroWell 96-well plate (Nunc). 0.56 &#956;Ci ml-1 [35S]-GTP&#947;S and EC80 of CX3CL1 were then added. The plate was incubated at 30° C. for 1 h and subsequently unbound [35S]-GTP&#947;S was separated from bound by vacuum filtration to a Printed Filtermat B (PerkinElmer) using a Skatron Micro96 harvester and dried at 50° C. for 1 h. The filters were soaked with a melt-on scintillator sheet (MeltiLex, PerkinElmer), sealed using a MeltiLex heat sealer and measured in a MicroBeta Trilux reader (PerkinElmer). The different antagonistic compound concentrations were achieved by stepwise dilution in DMSO to achieve a final DMSO concentration of 1% in all wells after addition of assay buffer, regardless of compound concentration. 
12122	1	ADP-Glo Assay Promega	The ADP-GloTM Kinase Assay kit from Promega was used to screen the compounds before determination of their IC50 using the radiolabeled kinase assay. This assay kit is a luminescent ADP detection assay that provides a universal, homogeneous, high-throughput screening method to measure kinase activity. It quantifies the amount of ADP produced during a kinase reaction. The ADP-GloTM Kinase Assay was performed in a 384-multiwell plate using the manufacturer&#39;s protocol. Assays were carried out at room temperature for 10 mins using 25 &#956;M Woodtide and 25 &#956;M ATP in 50 mM HEPES pH 7.5, 50 mM MgCl2, 50 mM DTT. The data was analyzed using GraphPad Prism 8.
12123	1	Evaluation of Enzyme Activity	Table 1: The purpose of the assay was to test the in vitro inhibitory activity of the compounds against LSD1. The enzyme used in the assay was human LSD1, and the standard substrate was histone H3K4me peptide (20 &#956;M). The activity of the compounds was determined by the enzyme-coupling fluorescent method by the combined detection of H2O2 generated after the reaction of LSD1 by horseradish peroxidase (HRP) and the fluorescent reagent Amplex Red. Starting from 10 &#956;M, the compounds were 3-fold diluted to detect the IC50 values of the compounds at 10 concentrations. The enzyme and substrate were incubated for 30 minutes before the compound was added to the substrate to start the reaction. Fluorescence detector: EnVision, excitation wavelength: Ex/Em=530/590 nM.
12124	1	hERG Qpatch Assay Protocol	hERG currents were recorded using the Qpatch automated patch clamp systems (Sophion Bioscience Inc., North Brunswick, NJ) in the whole (single) cell configuration. hERG expressing CHO-K1 cells were harvested with Detachin (Genlantis) and stored in the modified serum-free SFM-2 media (Life Technologies) at room temperature. The extracellular solution contained (in mM) NaCl (145), KCl (4), MgCl2 (1), CaCl2 (2), and HEPES (10), pH 7.4, with NaOH. The intracellular solution contained KCl (135), MgCl2 (1.75), CaCl2 (5.4), EGTA (10), K2-ATP (4), and HEPES (10), pH 7.2, with KOH. After whole cell configuration was achieved, the cell was held at &#8722;90 mV, and a 0.1 s pulse to &#8722;50 mV was delivered to measure the leaking current, which was subtracted from the tail current online. Then the cell was depolarized to +20 mV for 4 s (prepulse), followed by a 4 s test pulse to &#8722;50 mV to reveal the hERG tail current. To monitor changes in the current amplitude, this voltage protocol was repeatedly applied every 20 s. Test compounds were first diluted in DMSO for six dose-response experiments and then dissolved in the extracellular solution using Freedom EVO liquid handling robotic system (Tecan, M nnedorf, Switzerland). 
12125	1	Inhibition of auto-phosphorylation of recombinant human NF-kappaB-inducing kinase (NIK/MAP3K14) activity (AlphaScreen)	NIK/MAP3K14 auto-phosphorylation activity was measured using the AlphaScreen (alphascreen) format (Perkin Elmer). All compounds tested were dissolved in dimethyl sulfoxide (DMSO) and further dilutions were made in assay buffer. The final DMSO concentration was 0.7% (v/v) in assays. The assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, and 0.01% Tween 20. The assays were carried out in 384 well Proxiplates (Perkin Elmer). The incubations consisted of the compound, 5 uM Adenosine-5'-triphosphate (ATP), and 1 nM NIK/MAP3K14. Incubations were initiated by the addition of GST-tagged NIK/MAP3K14 enzyme, carried out for 2 h at 25 C. and terminated by addition of stop buffer containing anti-phospho-IKK Ser176/180 antibody. Protein A Acceptor and Glutathione-Donor beads were added before reading using an EnVision Multilabel Plate Reader (Perkin Elmer). The signal obtained in the wells was normalized using high (full enzyme activity, 0.7% DMSO) and low controls (no enzyme activity, 0.7% DMSO, no ATP).
12126	1	SHP2 Allosteric Inhibition Assay	The phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, non-binding surface (Corning, Cat #3650) using a final reaction volume of 100 &#956;L and the following assay buffer conditions: 50 mM HEPES, pH 7.2, 100 mM NaCl, 0.5 mM EDTA, 0.05% P-20, 1 mM DTT.The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.00005-10 &#956;M) was monitored using an assay in which 0.2 nM of SHP2 was incubated with 0.5 &#956;M of Activating Peptide 1 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) or Activating Peptide 2 (sequence: H2N-LN(pY)AQLWHA(dPEG8)LTI(pY)ATIRRF-amide). After 30-60-minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, Cat #D6567) was added to the reaction and activity was determined by a kinetic read using a microplate reader (Envision, Perkin-Elmer or Spectramax M5, Molecular Devices). The excitation and emission wavelengths were 340 nm and 450 nm, respectively. Initial rates were determined from a linear fit of the data, and the inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
12127	1	Binding Competition Assay with Human NK-3 Receptor	The ability of compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist 3H-SB222200 was assessed by an in vitro radioligand binding assay. Membranes were prepared from Chinese hamster ovary recombinant cells stably expressing the human NK-3 receptor. The membranes were incubated with 5 nM 3H-SB222200 (ARC) in a HEPES 25 mM/NaCl 0.1M/CaCl 2 1 mM/MgCl 2 5 mM/BSA 0.5%/Saponin 10 ug/ml buffer at pH 7.4 and various concentrations of compounds of the invention. The amount of 3H-SB222200 bound to the receptor was determined after filtration by the quantification of membrane associated radioactivity using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentration that displaced 50% of bound radioligand (IC50) were determined by linear regression analysis and then the apparent inhibition constant (Ki) values were calculated by the following equation: Ki=IC50/(1+[L]/Kd) where [L] is the concentration of free radioligand and Kd is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
12127	2	Binding assay NK-1	Binding assays were performed in a 50 mM Tris/5 mM MnCl2/150 mM NaCl/0.1% BSA at pH 7.4. Binding assays consisted of 25 ul of membrane suspension (approximately 5 ug of protein/well in a 96 well plate), 50 ul of compound or reference ligand (Substance P) at increasing concentrations (diluted in assay buffer) and 2 nM [3H] substance P. The plate was incubated 60 min at 25 C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in 0.5% PEI for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
12127	3	Binding assay NK-2	Binding assays consisted of 25 ul of membrane suspension (approximately 3.75 ug of protein/well in a 96 well plate), 50 ul of compound or reference ligand (Neurokinin A) at increasing concentrations (diluted in assay buffer) and 0.1 nM [125I]-Neurokinin A. The plate was incubated 60 min at 25 C. in a water bath and then filtered over GF/C filters (Perkin Elmer, 6005174, presoaked in assay buffer without saponine for 2 h at room temperature) with a Filtration unit (Perkin Elmer). The radioactivity retained on the filters was measured by using the TopCount-NXT reader (Packard). Competition curves were obtained for compounds of the invention and the concentrations of compounds which displaced 50% of bound radioligand (IC50) were determined and then apparent inhibition constant Ki values were calculated by the following equation: Ki=IC50/(1+[L]/KD) where [L] is the concentration of free radioligand and KD is its dissociation constant at the receptor, derived from saturation binding experiments (Cheng and Prusoff, 1973).
12128	1	Homogeneous Time-Resolved Fluorescence (HTRF)	Compound preparation: Add 45 &#956;L of DMSO to 5 &#956;L of stock solution at a concentration of 10 mM to prepare the solution LY2874455 at 1000 M; then add 12 &#956;L of the compound at 1000 &#956;M to 88 L of DMSO to prepare the solution LY2874455 at 120 &#956;M as the starting concentration; add 48 &#956;L of DMSO to 2 &#956;L of stock solution at a concentration of 10 mM to prepare the solution BLU554 at 400 &#956;M as the starting concentration; add 15 &#956;L of DMSO to 10 &#956;L of sample compound stock solution at a concentration of 10 mM to prepare a sample compound solution at 4 mM as the starting concentration; transfer the compound solution to the target plate with the dispenser Echo.Kinase reaction: Add 5 &#956;L of kinase solution to each well, incubate the compound and kinase at room temperature for 60 min, add 5 &#956;L of substrate and ATP mixture to start reacting at 37° C. for a certain period of time (30 min for FGFR1 kinase test, and 40 min for FGFR4 kinase test), and then add 10 &#956;L of X1665 and antibody detection reagent mixture to stop; after 60 min of incubation at room temperature, read the TR-FRET signal with microplate reader SPARK 10M at the transmit wavelength of 665 nM/612 nM. Test enzyme activity at 10 concentrations for each compound, and calculate the IC50 value of the compound with the data with the analysis software.
12129	1	HASPIN biochemical Assay	The biochemical assay to measure HASPIN activity relies on the ADP-Glo assay kit (Promega) that determines the amount of ADP as direct product of the kinase enzyme activity. Assay conditions were as indicated by the kit manufacturers with the following adaptations for the kinase activity step: Kinase assay buffer and assay volume (15 mM HEPES pH 7.5, 20 mM NaCl, 1 mM EGTA, 0.02% TWEEN 20, 10 mM MgCl2, 0.1 mg/ml BGG)/25 uL assay volume). Incubation time and temperature: 60 min at 30 C. HASPIN final concentration: 0.9 ug/mL. ATP final concentration: 150 uM. HASPIN autophosphorylation was measured. Assays were performed in 384-well plates. The final outcome of the coupled reactions provided by the kit is the release of luciferase and has been measured with a multilabel HTS counter Victor V/Envision. Values were normalized against the control activity included (100% HASPIN activity, without compound). Values were plotted against the inhibitor concentration and fit to a sigmoid dose-response curve using Activity base by IDBS software.
12130	1	Binding Assay	DDR1 and DDR2 binding assays were performed using Life Technologies LanthaScreen Europium Kinase Binding assay. The compounds were incubated with 5 nM DDR1 (Carna Biosciences) or 5 nM DDR2 (Life Technologies) for 1 hour at room temperature in white 384-well OptiPlate (PerkinElmer), containing 20 nM or 10 nM Kinase Tracer 178 respectively and 2 nM Europium labelled anti-GST antibody (Life Technologies) in assay buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA and 0.01% BRIJ35).The ratio of fluorescence emission 665 nm/615 nm after excitation at 340 nm was obtained using the Tecan Spark 20M plate reader. IC50 values were determined in GraphPad Prism 7.0 software, using 4 parameter model: log(inhibitor) vs. response. IC50 values were converted in Ki using the Cheng-Prusoff equation (Ki=IC50/(1+[Tracer]/Kd).
12131	1	GTP-KRAS and cRAF Interaction Assay	GppNp-loaded HIS-KRAS(G12D, aa 1-169) was pre-incubated with a compound in the presence of 200 uM GTP in a 384-well plate (Greiner) for 15 min, then cRAF RBD(GST tag, aa 50-132, CreativeBioMart), MAb Anti GST-d2 (Cisbio) and MAb Anti 6HIS-Tb cryptate Gold (Cisbio) were added to the assay wells (Final concentration: 2.0 nM GppNp-loaded HIS-KRAS(G12D), 100 uM GTP, 35 nM cRAF RBD, 1 ug/mL MAb Anti GST-d2, 52.5 ng/mL MAb Anti 6HIS-Tb cryptate Gold) and incubated for 2 hours at 25 C. Wells containing same percent of DMSO served as vehicle control, and wells without KRAS served as low control. HTRF signals were read on Tecan Spark multimode microplate reader and HTRF ratios were calculated under manufacturer's instructions. The percent of activation of compounds treated wells were normalized between vehicle control and low control. Then the data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12132	1	Kinase Assay	The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1 Kinase buffer to final concentrations of 0.25 ug/mL, 15 uM, and 4 uM respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated ( 0% Control ) and phosphorylated ( 100% control ) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer). The Emission ratio (Em) was calculated as a ratio of the coumarin (C) emission signal (at 445 nm)/Fluorescein (F) emission signal (at 520 nm). The percent phosphorylation was then calculated using the following formula: [1+-((Em ratio F100%)+-C100%)/((C0%+-C100%)+(Em ratio (F100%+-F0%)))]. 
12133	1	WecA Assay	UDP-Glucosamine-C6-FITC (2 mM stock solution, 0.56 L), MgCl2 (0.5 M, 4 &#956;L), &#946;-mercaptoethanol (50 mM, 5 &#956;L), CHAPS (5%, 11.25 &#956;L), Tris buffer (pH 8.0, 50 mM), undecaprenyl phosphate (4 mM, 1.4 &#956;L), and inhibitor molecule (0-100 &#956;g/mL in Tris buffer) were place in a 500 &#956;L Eppendorf tube. To a stirred reaction mixture, P-60 (10 &#956;L) was added (total volume of reaction mixture: 50 &#956;L adjust with Tris buffer). The reaction mixture was incubated for 4 h at 37° C. and quenched with n-butanol (150 &#956;L). Two phases were mixed via vortex and centrifuged at 10,000 xg for 3 min. The upper organic phase was assayed via reverse-phase HPLC. The organic phase (30 &#956;L) was injected into HPLC (solvent: gradient elution of 85:15 to 95:5 MeOH/0.05 M aq. NH4HCO3; UV: 485 nm; flow rate: 0.5 ml/ min; column: Kinetex 5 &#956;m C8, 100 &#8491;, 150 ×4.60 mm), and the area of the peak for C55-P-P-glucosamine-C6-FITC was quantified to obtain the IC50 value. The IC50 values were calculated from plots of the percentage product inhibition versus the inhibitor concentration.
12133	2	MraY Assay	Park&#39;s nucleotide-N -C6-dansyl (2 mM stock solution, 1.88 &#956;L), MgCl2 (0.5 M, 5 L), KCI (2 M, 5 &#956;L), Triton X-100 (0.5%, 5.63 &#956;L), Tris buffer (pH 8.0, 50 mM), neryl phosphate (0.1 M, 2.25 &#956;L), and inhibitor molecue (0-100 &#956;g/mL in Tris buffer) were placed in a 500 &#956;L Eppendorf tube. To a stirred reaction mixture, P-60 (10 &#956;L) was added (total volume of reaction mixture: 50 &#956;L adjust with Tris buffer). The reaction mixture was incubated for 2 h at room temperature (26 oC) and quenched with CHCl3 (100 &#956;L). Two phases were mixed via vortex and centrifuged at 25,000 xg for 10 min. The upper aqueous phase was assayed via reverse-phase HPLC. The water phase (10 &#956;L) was injected into HPLC (solvent: CH3CN/0.05 M aq. NH4HCO3=25:75; UV: 350 nm; flow rate: 0.5 mL/min; column: Kinetex 5 &#956;m C8, 100 &#8491;, 150 ×4.60 mm), and the area of the peak for lipid I-neryl derivative was quantified to obtain the IC50 value. 
12134	1	Biochemical FP Assay	TBD
12135	1	Biological Assay	Successful drug candidate compounds were subjected to numerous biochemical and cellular assays. Purified bacterial &#946;-glucuronidases were challenged with compounds to determine inhibition properties in a standard, robust activity assay, utilizing p-nitrophenyl glucuronide (PNPG) as the enzymatic substrate. Reactions (n=3/inhibitor concentration) were conducted in a 96-well assay, consisting of PNPG substrate (12 concentrations between 25 &#956;M and 5 mM), inhibitor solution (8 concentrations between 0.1 nM and 100 &#956;M), and 5 nM enzyme. Preferred compounds exhibited potent IC50 values with values <1 &#956;M.Additionally, preferred compounds exhibited negligible, if any, effect on purified mammalian &#946;-glucuronidases, specifically, preferred compounds are >500-fold more selective and potent against purified bacterial enzymes. Purified bovine liver and human &#946;-glucuronidase were dissolved in a reaction mixture containing 1 &#956;M enzyme and 1 mM PNPG as substrate.
12136	1	Biological Assay	Successful drug candidate compounds were subjected to numerous biochemical and cellular assays. Purified bacterial &#946;-glucuronidases were challenged with compounds to determine inhibition properties in a standard, robust activity assay, utilizing p-nitrophenyl glucuronide (PNPG) as the enzymatic substrate. Reactions (n=3/inhibitor concentration) were conducted in a 96-well assay, consisting of PNPG substrate (12 concentrations between 25 &#956;M and 5 mM), inhibitor solution (8 concentrations between 0.1 nM and 100 &#956;M), and 5 nM enzyme. Preferred compounds exhibited potent IC50 values with values <1 &#956;M.Additionally, preferred compounds exhibited negligible, if any, effect on purified mammalian &#946;-glucuronidases, specifically, preferred compounds are >500-fold more selective and potent against purified bacterial enzymes. Purified bovine liver and human &#946;-glucuronidase were dissolved in a reaction mixture containing 1 &#956;M enzyme and 1 mM PNPG as substrate.
12137	1	Inhibitory Activity against Enzyme hFXIa (Human Factor XIa)	Experimental method:1) Preparation for compoundsAll test compounds were prepared using Echo, subjected to gradient dilution and transferred to a 384-well reaction plate at 100 nL. The reference compound and the test samples, with an initial concentration of 200 uM, were subjected to 3-fold dilution to get 10 concentrations (the final concentration was 1 uM). To high signal wells were added DMSO, and to low signal wells were added 100 uM reference compound. Reference can be made to the sample distribution for distributions of samples and control.1) Preparation for enzyme human factor XIaEnzyme human factor XIa was diluted to 0.5 ug/mL with assay buffer.3) Preparation for substrate S-2306S-2306 was prepared at a concentration of 1 mM using the assay buffer.4) 10 uL of 0.5 ug/mL enzyme human factor XIa was added to the reaction plate using a Mutidrop automatic dispenser and the final concentration was 5 ng/well.5) 10 uL of 1 mM S-2306 was added to the reaction plate using a Mutidrop automatic dispenser and the final concentration was 0.5 mM.6) Centrifugation was performed at 1000 rpm for 10 s.7) The reaction plate was incubated in SpectraMax 340PC at 37 C. for 10 min and the absorbance was measured at 405 nm.8) Data were analyzed using GraphPad Prism 5.0.% inhibition rate=100%x[1 (sample reading mean of low signal wells)/(mean of high signal wells mean of low signal wells)]
12138	1	PhosphoSens Assay	A PhosphoSens kinase assay was performed as described by the vendor (AssayQuant Technologies, Marlborough, MA). Briefly, 1000x solutions of compounds were prepared in DMSO via serial dilution of the 10 mM DMSO stocks using 3-fold intervals in a 384-well reagent plate. 50 nL of the compound dilution series was then added to the corresponding wells of a 384-well assay plate. 40 mL of 1.25x substrate (AQT0264) in 1x assay buffer (50 mM HEPES pH 7.5, 500 uM EGTA, 10 nM MgCl2, 0.01% Brij-35, 1% Glycerol, 1 mM DTT, and 0.2 mg/mL BSA) was transferred to each well of the assay plate to achieve a final substrate concentration of 20 uM. Finally, 10 mL of 5xPTPN2 enzyme stock was added to each well of the assay plate for a final enzyme concentration of 150 pM. Reaction progress curves were collected by sampling fluorescence intensity at the excitation wavelength 360 nm (Quex360) and emission wavelength 480 nm (lambdaem480) every 71 seconds for one hour using a Synergy H4 plate reader (BioTek Instruments/Agilent Technologies, Winooski, VT) at room temperature.
12138	2	PTPN2 Biochemical Assay	The PTPN2 biochemical assay was performed as follows, a 5× stock solution of human PTPN2 (SRP5075, MilliporeSigma, Burlington, MA) and a 1.25× stock solution of DiFMUP (D6567, ThermoFisher Scientific, Waltham, MA), were prepared in 1× reaction buffer consisting of 50 mM HEPES, pH 7.4, 1 mM EDTA, 150 mM NaCl, 0.2 mg/mL BSA, 100 U/mL catalase and 10 mM DTT. 40 mL of the DiFMUP substrate solution, for a final concentration of 25 mM DiFMUP substrate, was added to a Corning 3574 384-well, white, non-binding surface microtiter plate containing 0.05 mL of serially diluted test compounds prepared in DMSO. The reactions were started with the addition of 10 mL of the enzyme solution, for a final PTPN2 concentration of 0.15 nM, and monitored every 105 seconds for 60 minutes at MEX 360/2EM 460 in a BioTek Synergy HTX plate reader (Agilent Technologies, Santa Clara, CA) at room temperature. The initial linear portions of the progress curves were fit according to a linear equation to yield the slopes and converted to % inhibition based on a value of 100% activity for the no inhibitor treated control. IC50 values of each compound were obtained by fitting the % inhibition-compound concentration curves using Dotmatics software (Dotmatics, Bishops Stortford, Hertfordshire, England).
12139	1	Biochemical Assay	Briefly, samples containing 20 nM purified L1 EN and compounds at the concentrations indicated above were incubated at room temperature for 60 minutes prior to adding 2 nM of plasmid. The reaction buffer was as follows: 20 mM HEPES pH 7.5, 100 mM NaCl, 10 mM MgCl2, 0.1 mg/mL bovine serum albumin, and 4 mM DTT. Samples were incubated at 37° C. for 30 minutes before the reactions were stopped by heat inactivation at 70° C. for 10 minutes or addition of 50 mM EDTA. Samples were then run on a 1% agarose gel containing ethidium bromide in 1X TAE buffer for 90 minutes at 120V and the products visualized with a UV imager. Slower migration of plasmid relative to uncut substrate indicated L1 EN nicking activity. Linear plasmid resulted from multiple nicks near each other on opposite strands.
12140	1	ATM Biochemical Assay	ATM (Millipore, Cat. No. 14-933) enzyme solution was prepared in 1x kinase base buffer. 10 ul of 2x enzyme solution was transferred to each well of the 384-well assay plate containing 100 nl compounds added by Echo. The plate was incubated at room temperature for 10 minutes. 2x peptide solution was prepared with FAM-labeled peptide and ATP in the 1x kinase base buffer (final concentration: 1.5 nM). 10 ul of 2x peptide solution was added to each well of the 384-well assay plate which was incubated at 37 C. for 210 min before 40 ul stop buffer was added to stop reaction. Data was collected by Caliper.
12140	5	ATR Biochemical Assay	ATR enzyme (batch: Eurofins Cat. No. 14-953) solutions were prepared in 1x kinase base buffer. 10 ul of 2x enzyme solution (final concentration: 2.5 nM) was added to each well of the 384-well assay plate containing 60 nl compound in each well. The plate was incubated at room temperature for 10 minutes. 2x peptide solutions were prepared with FAM-labeled peptide and ATP in the 1x kinase base buffer. 10 ul of 2x peptide solution was added to each well of the 384-well assay plate, which was incubated at 28 C. for 240 min. 40 ul of stop buffer was added to stop reaction. Data were collected by Caliper.
12140	2	PI3K Biochemical Assay	PI3K Biochemical PotencyPI3K&#945; (p110&#945;/p85a), PIK3C &#948;, PIK3C&#946; (p110&#946;), PIK3C&#947; (pp110&#947;) kinase reaction solutions of PI3K&#945; (Invitrogen, Cat. No. PV4788), PIK3C&#948; (Millipore, Cat. No. 14-604-M), PIK3C&#946; (Eurofins, Cat. No. 14-603-K), PIK3C&#947; (Invitrogen, Cat. No. PR8641C) enzymes were prepared in 1× kinase buffer at 4-fold of the final concentration (final concentration: PI3K&#945; 0.7 nM, PIK3C &#948; 3 nM, PIK3C&#946; 4.8 nM, PIK3C&#947; 11 nM) of each reagent in the assay. 2.5 &#956;l of kinase solution was added to each well of the 384-well assay plate, which contains 2.5 &#956;l of compounds with serially diluted concentration. 2× substrate solution was prepared with PIP2 substrate and ATP in 1× kinase reaction buffer at 2-fold of the final concentration of each reagent in the assay. 5 &#956;l of substrate solution was added to each well of the assay plate to start reaction. The assay plate was incubated at room temperature for 1 hour. 5 &#956;l reaction mix was transferred to a new 384 well plate. 5 &#956;l of ADP-Glo reagent (Promega, Cat. No. v9102/3) was added to each well of the new assay plate to stop the reaction. The plate was shaken slowly and equilibrated for 40 minutes. 10 &#956;l kinase detection reagents were added to each well, which was equilibrated for 60 minutes before read on a plate reader (Envision) for luminescence.
12140	3	mTOR Biochemical Assay	mTOR Biochemical PotencySolution of mTOR enzymes (Millipore, Cat. No. 14-770) was prepared in 1× kinase buffer at 4-fold of the final concentration (final concentration: 6 nM) in the assay. 2.5 &#956;l of kinase solution was added to each well of the 384-well assay plate, which contains 2.5 &#956;l of compounds with serially diluted concentration. 2× substrate solution was prepared with ULight-4E-BP1 (Thr37/46) Peptide (PE, Cat. No. TRF0128-M) and ATP in 1× kinase reaction buffer at 2-fold of the final concentration of each reagent in the assay. 5 &#956;l of substrate solution was added to each well of the assay plate to start reaction. The assay plate was incubated at room temperature for 30 minutes. Detection solution of kinase quench buffer (EDTA) and Eu-anti-phospho-4E-BP1 antibody (Thr37/46) (PE, Cat. No. TRF0216-M) were prepared at 2-fold the desired final concentrations of each reagent in Lance detection buffer. 10 &#956;l of detection solution buffer was added to each well of the assay plate. The assay plate was equilibrated for 60 minutes at room temperature before read on a plate reader (Lance signal (665 nm) from Envision program).
12140	4	DNA-PK Biochemical Assay	DNA-PK Biochemical AssayDNA-PK kinase reaction solutions of DNA-PK enzymes (Promega, Cat. No. V4106, Lot. No. 0000224016) were prepared in 1× kinase buffer at 2-fold of the final concentration (final concentration: DNA-PK 1 U/&#956;l, Activator 6 &#956;g/ml) of each reagent in the assay. 2.5 &#956;l of kinase solution was added to each well of the 384-well assay plate, which contains 2.5 &#956;l of compounds with serially diluted concentration. Substrate solution was prepared and ATP in 1× kinase reaction buffer at 2-fold of the final concentration of each reagent in the assay. The final concentration: Substrate 0.2 ug/ml and ATP 20 uM. 2.5 &#956;l of substrate solution was added to each well of the assay plate to start reaction. The assay plate was incubated at room temperature for 1 hour. 5 &#956;l reaction mix was transferred to a new 384 well plate. 5 &#956;l of ADP-Glo MAX reagent 1 (Promega, Cat. No. v9102/3, Lot. No. 0000176563) was added to each well of the assay plate to stop the reaction. The plate was equilibrated for 2 hr at room temperature. 10 &#956;l ADP-Glo MAX reagent 2 was added to each well, which was equilibrated for 30 minutes before read on a plate reader (Envision) for luminescence.
12141	1	HTRF (Homogeneous Time-Resolved Fluorescence) Assay	Biochemical potency of compound was determined by using CRBN& DDB1 protein (His Tag). Compounds were tested for blocking the binding of CRBN&DDB1 protein (CRBN, aa 40-442, DDB1, 1-1140, Viva Biotech) with biotin labeled thalidomide in an assay based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assay was carried out in 384-well low volume black plates in a reaction mixture containing CRBN& DDB1 protein, 30 nM biotin labeled thalidomide and 0-10 &#956;M compound in buffer containing 50 mM HEPES pH7.5, 50 mM NaCl, 0.01% BSA, 1 mM DTT and 0.015% Brij-35. The protein was preincubated with compound for 60 minutes at room temperature and biotin labeled thalidomide was added to plate. After further incubation at room temperature for 60 minutes detection reagents Mab Anti-6His Eu cryptate Gold (Cisbio, Cat #61HI2KLB) and Streptavidin-XL665 (Cisbio, Cat #610SAXLG) were added to plate. Plates were sealed and incubated at room temperature for 1 hour, and the TR-FRET signals (ex337 nm, em665 nm/620 nm) were recorded on a PHERAstar FSX plate reader (BMG Labtech). The inhibition percentage of CRBN& DDB1 protein interaction with biotin labeled thalidomide in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm. IC50 was derived from fitting the dose-response % inhibition data to the four-parameter logistic model by Dotmatics.
12142	1	In Vitro Enzyme IC50 Assay	Enzymatic activity of DPPIV, DPP8, DPP9, FAP, and PREP was measured at 25° C. on a Molecular Devices M2e multidetection microtiter plate reader, monitoring the fluorescence at an excitation wavelength of 380 nm and an emission wavelength of 460 nm. The substrate was either H-Gly-Pro-AMC for the DPPIV, DPP8, and DPP9 assays or Z-Gly-Pro-AMC for the FAP and PREP assays. The reaction mixture contained 25 &#956;M substrate, enzyme, buffer A (DPPIV and DPP9), buffer B (DPP8), buffer C (FAP), or buffer D (PREP) and a suitable amount of inhibitor (ranging between 10-4 and 10-11 M) in a total volume of 210 &#956;L. The final enzyme concentrations were 0.1, 0.8, 0.4, 1.2, and 0.6 nM for DPPIV, DPP8, DPP9, FAP, and PREP, respectively. The IC50 value is defined as the concentration of inhibitor required to reduce the enzyme activity by 50% o after a 10 min preincubation with the enzyme at 25° C. prior to addition of the substrate. Inhibitor stock solutions (100 mM) were prepared in either a pH 2.0 HCl solution for compounds 1 and 20 or DMSO. Those prepared in pH 2.0 solution were preincubated at 25° C. for 4 h prior to dilution. Immediately prior to the commencement of the experiment, the 100 mM stocks were further diluted to 10-3 M in the appropriate assay buffer, from which 1:10 serial dilutions were prepared.
12143	1	Enzymatic Assay	Detection of Myt1 kinase activity utilized a recombinant human Myt1 kinase assay measuring the hydrolysis of ATP using a commercially available ADP-Glo Assay (ADP-Glo Kinase Assay from Promega, 10 000 assays, #V9102). Briefly, 5 uL recombinant human Myt1 (full length PKMYT1 recombinant human protein expressed in insect cells from Thermo Fisher #A33387; 80% purity) was prepared in reaction buffer (70 mM HEPES, 3 mM MgCl2, 3 mM MnCl2, 50 ug/ml PEG 20000, 3 uM Na-orthovanadate, 1.2 mM DTT) and added to 384 well white polystyrene, flat bottom well, non-treated, microplate (Corning #3572). After this, 5 uL of compounds (diluted in reaction buffer to 0.5% DMSO) was added to the microplate and the plate was spun briefly and incubated at 22 C. for 15 minutes. Ultra-Pure Adenosine Triphosphate (ATP) solution (ADP-Glo kit from Promega) was diluted in reaction buffer and 5 uL was added to the microplate, spun down briefly and incubated for 60 minutes at 30 C. The final Myt1 enzyme concentration was 18 nM and the final ATP concentration was 10 uM. After the 60-minute incubation, 15 uL of ADP-Glo reagent was added and the plate was spun briefly and sealed and incubated in the dark for 40 minutes at 22 C. Following this, 30 uL of kinase detection reagent was added per well and the plate was spun briefly, sealed and incubated for 45-60 minutes at 22 C. in the dark. Luminescence was read using the Envision (250 ms integration).
12144	1	SOS1/KRAS-G12D Binding Inhibition Assay	SOS1 binding affinity of candidate compounds was measured by monitoring the interaction of SOS1 with KRAS-G12D in the presence of the test compound. Briefly, 5 nM GST tagged SOS1 proteins (final concentration) were pre-incubated with 50 nM 6*His tagged KRAS-G12D proteins (final concentration) in an assay buffer containing 10 mM HEPES, pH 7.4, 150 mM NaCl, 1 mM DTT, 5 mM MgCl2, 0.1% Tween-20, and 0.05% BSA for 30 minutes. The test compounds in 2% DMSO (final concentration) at various concentrations were then added to the reaction mixture and incubated for another 30 minutes at 4 C. 5 ug/ml GSH AlphaScreen donor beads (PerkinElmer, 6765300) and 5 ug/ml nickel chelate (Ni-NTA) AlphaScreen acceptor beads (PerkinElmer, 6760619C) (final concentrations) were then added to the mixture. After an incubation of 2 hours at 4 C., the fluorescent signals were obtained on the EnVision 2105 Multilabel Plate Reader (PerkinElmer).
12145	1	CYP450 Enzyme Inhibition Assay	The purpose of this study was to evaluate the effect of the test compound on the activity of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4) of human liver microsomal cytochrome P450 (CYP) by using an in vitro testing system. The specific probe substrates of CYP450 isoenzymes were incubated with human liver microsomes and test compounds of different concentrations, and reduced nicotinamide adenine dinucleotide phosphate (NADPH) was added to initiate the reaction. After the completion of the reaction, the sample was treated and liquid chromatography-tandem mass spectrometry (LC-MS/MS) was used to quantitatively detect metabolites produced by specific substrates, changes in CYP enzyme activity were determined, and IC50 value was calculated to evaluate the inhibitory potential of the test compound on each CYP enzyme subtype.
12146	1	Biochemical Assay	Full-length wild-type &#946;-catenin (residues 1-781), full-length &#946;-catenin D145 &#8491;, or full-length &#946;-catenin E155A were cloned into a pET-28b vector carrying a C-terminal 6× histidine (Novagen), and transformed into E. coli BL21 DE3 (Novagen). Cells were cultured in LB medium with 50 &#956;g/mL kanamycin until the OD600 was approximately 0.8, and then protein expression was induced with 400 &#956;M of IPTG at 20° C. overnight. Cells were lysed by sonication. The proteins were purified by three steps of chromatography, including Ni-NTA affinity chromatography (30210, Qiagen), HiTrap Q HP anion exchange chromatography (17-1154-01, GE Healthcare Life Science) and size-exclusion chromatography with a HiLoad 26/600 Superdex 200 pg column (28-9893-36, GE Healthcare Life Science) using an AKTA Pure FPLC (GE Healthcare Life Science) system. Protein was eluted in a buffer containing 20 mM of Tris (pH 8.5), 100 mM NaCl, and 2 mM DTT. The purity of &#946;-catenin was greater than 95% as determined by SDS-PAGE gel analyses. Thermal-shift assays were performed on an CFX96 Real Time System (Bio-Rad) to monitor protein stability and detect protein aggregation. Protein unfolding was evaluated through measurement of the fluorescence changes of fluorescent dye Sypro Orange when interacting with &#946;-catenin proteins. A temperature increment of 1°/min was applied. All proteins were stable and no aggregation was observed under storage or assay conditions. Proteins were aliquoted and stored at &#8722;80° C.BCL9 Peptide Synthesis and Purification. Human BCL9 (residues 350-375), N-terminally biotinylated human BCL9 (residues 350-375) and N-terminally biotinylated human E-cadherin (residues 824-877) were synthesized by InnoPep Inc. (San Diego, CA, www.innopep.com).
12147	1	TBD	TBD
12147	2	TBD	TBD
12148	1	KRAS(G12C) and SOS1 Binding Assay	1× buffer preparation (ready-to-use): Hepes: 5 mM; NaCl: 150 mM; EDTA: 10 mM; Igepal: 0.0025%; KF: 100 mM; DTT: 1 mM; BSA: 005%;The test compounds were 5-fold diluted with DMSO using a multi-channel pipette to the 8th concentration, i.e., diluted from 1 mM to 0.064 &#956;M.The test compound was diluted by gradient with 1× buffer to a working solution with 2% DMSO. 5 &#956;L/well of the working solution was added to corresponding wells, and the corresponding concentration gradient was 20 &#956;M to 0.00128 nM. Duplicate experiment was set. The working solution was centrifuged at 1000 rpm for 1 minute.A mixed working solution of KRAS(G12C) (200 nM) and Mab Anti GST-Eu cryptate (1 ng/&#956;L) was prepared with 1× buffer, and the mixed working solution was incubated at 25° C. for 5 minutes, and 2.5 &#956;L/well of the mixed working solution was added to the corresponding wells.A mixed working solution of SOS1 (80 nM) and Mab Anti 6HIS-XL665 (8 g/&#956;L) was prepared with 1× buffer, and 2.5 &#956;L/well of the mixed working solution was added to the corresponding wells. 2.5 &#956;L of Mab Anti 6HIS-XL665 (8 g/&#956;L) diluent was added to blank wells. At this time, the final concentration gradient of the compound was diluted from 10 &#956;M to 0.64 nM, KRAS(G12C) (500 nM), MAb Anti GST-Eu cryptate (0.25 ng/&#956;L), SOS1 (20 nM), Mab Anti 6HIS-XL665 (2 g/&#956;L), the reaction system was placed at 25° C. for 60 minutes. After the reaction was completed, the multimode microplate reader was used to read HTRF.
12149	1	hERG Qpatch Assay	hERG currents were recorded using the Qpatch automated patch clamp systems (Sophion Bioscience Inc., North Brunswick, NJ) in the whole (single) cell configuration. hERG expressing CHO-K1 cells were harvested with Detachin (Genlantis) and stored in the modified serum-free SFM-2 media (Life Technologies) at room temperature. The extracellular solution contained (in mM) NaCl (145), KCl (4), MgCl2 (1), CaCl2 (2), and HEPES (10), pH 7.4, with NaOH. The intracellular solution contained KCl (135), MgCl2 (1.75), CaCl2 (5.4), EGTA (10), K2-ATP (4), and HEPES (10), pH 7.2, with KOH. After whole cell configuration was achieved, the cell was held at +-90 mV, and a 0.1 s pulse to +-50 mV was delivered to measure the leaking current, which was subtracted from the tail current online. Then the cell was depolarized to +20 mV for 4 s (prepulse), followed by a 4 s test pulse to +-50 mV to reveal the hERG tail current. To monitor changes in the current amplitude, this voltage protocol was repeatedly applied every 20 s. Test compounds were first diluted in DMSO for six dose-response experiments and then dissolved in the extracellular solution using Freedom EVO liquid handling robotic system (Tecan, M nnedorf, Switzerland). The final DMSO concentration in samples was 0.3% v/v. Amitriptyline (Sigma) was tested as a positive control. 
12150	1	HDAC Enzyme Activity Inhibition (In Vitro)	An HDAC enzyme inhibitory capacity of test material was measured by using HDAC1 Fluorimetric Drug Discovery Assay Kit (Enzolifesciences: BML-AK511) and HDAC6 human recombinant (Calbiochem: 382180). For a HDAC1 assay, samples were treated at a concentration of 100 nM, 1000 nM and 10000 nM. For an HDAC6 assay, samples were treated at a concentration of 0.1 nM, 1 nM, 10 nM, 100 nM and 1000 nM. After the sample treatment, a reaction was continued at 37° C. for 60 minutes, treated with a developer, and subjected to reaction at 37° C. for 30 minutes, after which fluorescence intensity (Ex 390 nm, Em 460 nm) was measured by using FlexStation3 (Molecular device). For final result values, each IC51 value was calculated with GraphPad Prism 4.0 program.
12151	1	PIKfyve Biochemical Assay	The biochemical PIKFyve inhibition assays were run by Carna Biosciences according to proprietary methodology based on the Promega ADP-Glo Kinase assay. A full-length human PIKFYVE [1-2098(end) amino acids and S696N, L932S, Q995L, T998S, S1033A and Q1183K of the protein having the sequence set forth in NCBI Reference Sequence No. NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKFYVE was purified by using glutathione sepharose chromatography and used in an ADP-Glo Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4x final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADP-Glo reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 uM to 3 nM. Data was analyzed by setting the control wells (+ PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration vs % inhibition curves by fitting to a four-parameter logistic curve.
12152	1	SARS-CoV-2 Mpro Protease Enzyme Assay	It was performed in 20 mM Tris, 50 mM NaCl and 0.1 mM EDTA (Merck KGaA, Darmstadt, Germany), pH 7.5 at room temperature. Compounds were transferred with Echo 550 non-contact dispenser (Labcyte, Inc., USA) to a Corning 3575 non-binding 384 well assay plates. Mpro (75 nM final concentration), was added to the assay plate using a 16-channel pipette (Integra ViaFlo, BergmanLabora AB, Sweden), and shaken for 15 minutes at 1500 rpm in an Eppendorf Mixmate. After a pulse centrifugation, the Mpro fluorogenic substrate (stock solution at 5 mM in DMSO) was added to the assay plate to a final concentration of 10 &#956;M, thus contributing with 0.2% DMSO in final assay, with a Labcyte ECHO 550 non-contact dispenser. After 10 minutes incubation and a pulse centrifugation, fluorescence was measured in a PerkinElmer Envision plate reader at ambient temperature using kinetic mode and with excitation at 340 nm and emission at 490 nm.
12152	2	Surface Plasmon Resonance (SPR) Biosensor Assay	The SPR experiments were performed using a Biacore S200 instrument and CM5 biosensor chips (Cytiva, Uppsala, Sweden) at 25 C. Streptavidin (Sigma) was immobilized by amine coupling. The CM5 chip surface was activated by an injection of a 1:1 mixture of N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride (EDC) and N-hydroxysuccinimide (NHS) (Cytiva, Uppsala, Sweden) or 7 min at a flow rate 10 uL/min. Streptavidin (Sigma) was diluted to 250 ug/mL in sodium acetate buffer (pH 5.0) and injected over the activated surface at a flow rate 2 uL/min for 10 min. The surface was then deactivated by the injection of 1 M ethanolamine (Cytiva, Uppsala, Sweden) for 7 min. Subsequently, the biosensor chip was conditioned with four pulse injections of 1 M NaCl/50 mM NaOH solution. Mpro was diluted to 100 ug/mL in 1.02 running buffer (50 mM TrisHCl, pH 7.5, 0.05% Tween-20) and injected at the flow rate of 2 uL/min, reaching a typical immobilization level of 8000-9000 RU. After immobilization, compounds were injected over the surface using a 10-point concentration series, at a flow rate 30 uL/min in 50 mM TrisHCl, pH 7.5, 0.05% Tween-20. An association phase was monitored for 60 s and a dissociation phase for 120 s. Sensorgrams were double-referenced by subtracting the signals from a reference surface and the signal from one blank injection. A solvent correction accounting for 2% DMSO was performed.
12153	1	CYP Enzyme Single Point Inhibition Assay	1. Experimental ObjectiveThe human liver microsome incubation system was used to rapidly predict the inhibitory effect of the compounds on CYP450 enzyme subtypes by using single-point method.2. Experimental Process2.1 Formulation of SolutionNADPH (reduced nicotinamide adenine dinucleotide phosphate) was weighed, to which 100 mM phosphate buffer was added to obtain a final concentration of 2.5 mM. 4 mL of 100 mM phosphate buffer was added to 50 &#956;L of 20 mg/mL microsomes, and mixed well to obtain 0.25 mg/mL microsomes.Formulation of test compound reaction solution:The compound of the example to be tested was weighed, diluted to 10 mM with DMSO, and then diluted to 100 &#956;M with 100 mM phosphate buffer.2.2 Experimental Procedure1. 40 &#956;L of liver microsomes, 10 &#956;L of substrate, and 10 &#956;L of the test compound were added to a 96-well plate, and pre-incubated for 3 minutes.2. 40 &#956;L of NADPH was added.3. 300 &#956;L of acetonitrile stop solution containing an internal standard was added at 20 minutes.4. The sample was injected by centrifuge.
12154	1	In Vitro Radioligand Binding Assay	The competition binding assay was conducted using monoclonal mouse MOR expressed in Chinese hamster ovary (CHO) cell lines. In this assay, 30 &#956;g of membrane protein was incubated with the radioligand [3H] naloxone in the presence of different concentrations of tested compounds in TME buffer (50 mM Tris, 3 mM MgCl2, and 0.2 mM EGTA, pH 7.4) for 1.5 h at 30° C. The bound radioligand was separated by filtration using a Brandel harvester. Specific (i.e., opioid receptor-related) binding to the MOR was determined as the difference in binding obtained in the absence and presence of 5 &#956;M of DAMGO. The IC50 values were determined and converted to Ki values using the Cheng-Prusoff equation: Ki=IC50/[1+([L*]/KD)], where [L*] is the concentration of the radioligand and KD is the KD of the radioligand was determined.
12155	1	RIPK1-ADP-Glo Enzymatic Assay	In this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 30 nL of compound (1% DMSO in final assay volume of 3 &#956;L) was dispensed, followed by the addition of 2 &#956;L of 1× assay buffer (25 mM Hepes 7.3, 20 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.005% Tween20, and 0.02% BSA) containing 37.5 nM of GST-RIPK1 (recombinant GST-RIPK1 kinase domain (residues 1-327) enzyme produced from baculovirus-transfected Sf21 cells: MW=62 kDa). Plates were placed in an ambient temperature humidified chamber for a 30 minutes pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 1 &#956;L 1× assay buffer containing 900 &#956;M ATP and 3 &#956;M dephosphorylated-MBP substrate. The final reaction in each well of 3 &#956;L consists of 25 nM of GST-RIPK1, 300 &#956;M ATP, and 3 &#956;M dephosphorylated-MBP. Kinase reactions were allowed to proceed for 150 minutes prior to adding ADP-Glo reagents per Promega&#39;s outlined kit protocol. Dose-response curves were generated by plotting percent effect (% product conversion; Y-axis) vs. Log10 compound concentrations (X-axis).
12156	1	Determination of TET2 Binding by Surface Plasmon Resonance	The binding of compounds of the examples was determined by Surface Plasmon Resonance (SPR) using a Biacore T200 SPR biosensor instrument (GE Healthcare, Uppsala, Sweden) at 25° C. The human TET2 construct was immobilized on a CM5 sensor chip using a standard covalent immobilization via amine coupling following the activation of the carboxymethyl dextran matrix of the sensor chip (injection of a solution containing 0.1 M N-hydroxysuccinimide and 0.4 M 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide hydrochloride at a flow rate of 15 &#956;L/min for 7 min). The protein immobilization was achieved after the injection of 5 &#956;g/mL TET2 in 10 mM sodium acetate (pH 4.0) at a flow rate of 5 &#956;L/min. Unreacted activated groups of the dextran matrix were deactivated by injection of 1 M ethanolamine hydrochloride for 7 min at a flow rate of 15 &#956;L/min. The corresponding matrix activation and protein immobilization were performed using as a running buffer a phosphate buffered saline solution (1.05× PBS: 10 mM phosphate, pH 7.4, 150 mM NaCl). The screened compounds were prepared in a 20 mM stock solution in DMSO and diluted with 1.05× PBS to achieve a final 5% (v/v) DMSO concentration. The running buffer of the interaction assays consisted of 1×PBS, 5% (v/v) DMSO. The flow rate used for the screening was 60 &#956;L/min and the ligand association and dissociation times set were 60 s and 120 s, respectively.
12157	1	Biochemical Potency on JAK1, JAK2, JAK3 and Tyk2	The objective of this study was to assess the capability of compounds to inhibit all 4 JAK isoforms activity in a cell-free environment. Assay for JAK 1, JAK 2, JAK 3 and TYK2 were performed by Time-resolved fluorescence resonance energy transfer (TR-FRET) technology. It consists in the interaction of two labelled binding partners detected by the energy transfer from an excited donor to an acceptor dye and measurement of light emission by the acceptor dye. LANCE Ultra kinase assay was used. In presence of JAK 1, JAK 2, JAK 3 and TYK2 kinases and ATP (corresponding to Km), the ULight peptide substrate (LANCE Ulight-JAK-1 (Tyr1023) Peptide, Perkin Elmer, TRF0121) is phosphorylated. It is then captured by Eu-anti-phospho-substrate antibody (LANCE Eu-W1024 Anti-phosphotyrosine (PT66), Perkin Elmer, AD0069), which bring the Eu-chelate donor and ULight acceptor dyes into close proximity. Upon excitation at 320 nm, the Eu-chelate transfers its energy to the ULight dye, resulting in a fluorescent light emission at 665 nm.
12158	1	HSD2 Activity	Compounds were diluted in DMSO and serial dilutions prepared by titrating in DMSO. Compounds were then diluted into DMEM/F12. Transwell plates containing descending colon cultures were washed twice with DMEM/F12 and compound was added to the apical compartment. Cells were incubated with test compound for 30 minutes at 37° C., 5% CO2 to equilibrate across the cell membrane. A second compound plate was prepared in which the serially diluted compounds in DMSO were diluted into DMEM/F12 containing 40 nM cortisol. Following the 30 minute pre-incubation step, the apical media was aspirated and compounds diluted in DMEM/F12 with 40 nM cortisol were added to the apical side of the transwell. The plate was then incubated for four hours at 37° C., 5% CO2. Cortisol levels were measured using a cortisol HTRF assay kit as described by the manufacturer (Cisbio). 
12159	1	Receptor Binding Assay	Receptor binding is determined for the Compound of Example 1, using the compound of Formula A as a control. The following literature procedures are used, each of which reference is incorporated herein by reference in their entireties: 5-HT2A. Ki=IC50(1+L&#8290;/&#8290;KD)where L=concentration of radioligand in the assay, and KD=affinity of the radioligand for the receptor. A Scatchard plot is used to determine the KD.
12160	1	LSD1 Inhibition of the Crystal Form A of the Compound III	1.1 Experimental Purpose:The experimental purpose was to evaluate IC50 of the crystal form A of the compound III at 10 concentrations against LSD1. The experiment was conducted in duplicate with an initial concentration of 10 &#956;M diluted in a gradient of 3 times, and it was repeated twice at different dates.1.2 Test Conditions:LSD1 buffer composition: 50 mM Tris-HCl, pH 7.5, 0.05% CHAPS, 1% DMSO.Reaction time: reacted at room temperature for 1 hourReaction Process:1.2.1 Adding enzyme to a freshly prepared buffer1.2.2 Adding a DMSO solution of the compound to the enzyme mixture using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) at nL level, and incubating at room temperature for 30 minutes1.2.3 Adding the substrate to a freshly prepared buffer1.2.4 Incubating at room temperature for 1 hour1.2.5 Preparing to test the mixture1.2.6 Using Perkin Elmer Envision to read data1.2.7 Using Excel and GraphPad Prism software to analyze data
12161	1	LSD1 Enzyme Activity Assay	The effects of compounds on LSD1 enzyme activity are detected by an HTRF technology to evaluate their inhibition levels on LSD1 enzyme activity. First, 90PM test compound mother solution (dissolved in DMSO) is diluted for a 5-fold concentration gradient with DMSO successively to obtain a total of 8 concentrations of compound working solution 1 (90×). Then, 8 concentrations of working solution 1 are diluted for a 30-fold concentration gradient, i.e, 2 &#956;L of working solution 1 is sucked and added to 58 &#956;L of Buffer, and fully shaken and mixed well on a vortex mixer to obtain a total of 8 concentrations of screening compound working solution 2 (3×). In a 384-well shallow white plate, 2 &#956;L of 3×LSD1 (Activemotif, 31426) enzyme solution and 2 &#956;L of compound working solution 2 (3×) are sequentially added to each well, mixed well, and incubated at room temperature for 15 min; 2 &#956;L of 3×H3K4mel (Anaspec, AS-64355-025) substrate solution is sequentially added to each well, mixed well, and incubated at room temperature for 60 min; 2 &#956;L of stop solution (containing 5.4 mM 2-PCPA) is sequentially added to each well, mixed well, and incubated for 15 min at room temperature; and 4 &#956;L of Eu-anti H3K4 (PerkinElmer, TRF0404-D) and allophycocyanin (Prozyme, PJ27S) premixed antibody (1:1) solution is sequentially added to each well, mixed well, and incubated at room temperature for 60 min. The 384-well plate is placed on a multifunctional microplate reader for reading values, an excitation light wavelength is set to 337 nm, and values at 620 nm and 665 nm are recorded.
12161	2	CYP450 Enzyme Inhibition Assay	Using mixed human liver microsomes as a CYP 450 enzyme source, specific probe substrates of respective CYP isoenzymes (2 substrates for CYP 3A4) are incubated respectively with test compounds of a series of concentrations in the presence of cofactor NADPH. LC-MS/MS is used to determine the amount of metabolites generated by a probe substrate in the incubation system, the IC50 values of the test compounds on specific isoenzymes/substrates are calculated, and their inhibitory effects on the activities of human liver microsomal cytochrome P450 isoenzymes are evaluated. During the experiment, 49 &#956;l of PBS, 50 &#956;l of probe substrate, and 50 &#956;l of human liver microsomal working solution are sequentially added to the incubation system, then added with 1 &#956;l of the test compound working solutions of various concentrations and mixed well. After 5 min of pre-incubation at 37° C., 50 &#956;l of NADPH is added to start the reaction. After incubation for the corresponding time, an appropriate amount of glacial acetonitrile containing an internal standard is added to terminate the reaction, vortexed and mixed well, and centrifuged to take the supernatant, and the supernatant is injected into LC-MS/MS to detect the amount of metabolites generated by the probe substrate.
12161	3	hERG Inhibition Assay	A manual patch-clamp technology is used to evaluate whether the test compound has a potential inhibitory effect on a voltage-gated potassium ion channel hERG. In this experiment, the effects of 5 concentrations of compound (2 parallel samples per concentration) on the current of the hERG channel are detected, a dose-response curve of the compound is obtained and IC50 is calculated. First, the hERG current measured in the extracellular fluid containing 0.1% DMSO is used as a baseline for detection. After the hERG current remains stable for at least 5 min, the solution containing the test compound is perfused sequentially around the cells from low to high concentration. It is necessary to wait about 5 min after each perfusion to allow the compound to act fully on the cells and record the hERG current synchronously. After the recorded current tends to stabilize, the last five hERG current values are recorded, and averaged as a final current value at a specific concentration. After testing the compound, 150 nM Dofetilide is added to the same cell to completely inhibit its current as a positive control for this cell. At the same time, the positive compound Dofetilide is simultaneously detected with the same patch-clamp system before and after the end of a test drug experiment to ensure the reliability and sensitivity of the entire detection system. 
12162	1	In Vitro Kinase Assay	ALPK1 kinase activity was measured in an in vitro assay using ADP-Heptose as the ALPK1 ligand and activator of its kinase activity and TIFA protein as the ALPK1 phosphorylation substrate. Since phosphorylated TIFA proteins oligomerize, Homogeneous Time-Resolved Fluorescence (HTRF) was used to measure protein:protein interaction between HA-tagged TIFA proteins as an indicator of TIFA phosphorylation.In brief, dose-response studies were performed with HEK293 cells cultured in Dulbecco's Modified Eagle Medium (DMEM) supplemented 10% fetal bovine serum (FBS, Hyclone ) containing antibiotics (pen/strep, G418) in 384-well assay plates. Each well contained 0.1 mg TIFA, ALPK1 (2 nM final concentration in reaction mixture) and kinase buffer (100 mM of HEPES pH 7.4, 4 mM DTT, 40 mM MgCl2, 20 mM of beta-Glycerol phosphate disodium salt, 0.4 mM of Na3VO4, 0.16 mg/mL). Titrations of the test compounds were prepared in dimethylsulphoxide (DMSO). The reaction was initiated by addition of ATP and ADP-Heptose.For HTRF, samples were incubated with a Tb cryptate-labeled anti-HA antibody for capturing HA-tagged proteins according to the manufacturer's instructions (PerkinElmer , CisBio ) and the fluorescence signal was quantified (Tecan Infinite F NANO+). HTRF signals were calculated as the HTRF ratio (ratio of fluorescence measured at 665 nm and 620 nm)x104 (thereby using the signal at 620 nm as an internal standard).
12163	1	Neurotensin Scintillation Proximity Assay	Compound affinity was determined by measuring the displacement of[3H]-neurotensin or [125I]-neurotensin binding to hSortilin in SPA format. Total volume of 40 &#956;l in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCI2, 0.1% BSA and 0.1% Tween-20. Compound pre-incubation for 30 minutes at room temperature with 150 nM of 6his-Sortilin before 5 nM [3H]-Neurotensin or [125I]-neurotensin and Ni chelate imaging beads (Perkin Elmer) were added, after 6 hours plate was read on a ViewLux with 360 s exposure time. Dose-response evaluation of compounds was performed with 8 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using CDD Vault software.
12164	1	BTK Kinase Assay	1× buffer preparation (which was prepared and used immediately): Kinase assay buffer III was diluted with ddH2O to 1× assay buffer for later use.The compound to be tested was diluted with 100% DMSO to 10 &#956;M as the first concentration, and followed by a 5-fold dilution to the 8th concentration using a multi-channel pipette, i.e., it was diluted from 10 &#956;M to 0.128 nM.Each gradient of the compound to be tested was diluted into a working solution with 5% DMSO using 1× buffer, 1 &#956;L/well was added to the corresponding well, and a double-replicate well experiment was set up. 2 &#956;L of BTK enzyme (4 ng) was add to each well and incubating at 25° C. for 30 minutes. After the incubation was completed, 2 &#956;L of a mixture of substrate and ATP (2 &#956;M ATP, 0.2 &#956;g/&#956;L PolyE4Y1) was added to each well and incubating at 25° C. for 120 minutes. At this point, the final concentration gradient of the compound was diluted from 100 nM to 0.00128 nM. After the reaction was completed, 5 &#956;L of ADP-Glo reagent was added to each well, and the reaction continued at 25° C. for 40 minutes. After the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well. After reacting at 25° C. for 30 minutes, PerkinElmer Nivo multi-label analyzer was used to read the chemiluminescence, and the integration time was 0.5 seconds.
12165	1	Evaluation of A2a Receptor Binding Affinity	A radioligand binding test was conducted by using [3H]-NECA (5&#8242;-N-[adenine-2,8-3H]-ethylcarboxamidoadenosine) and an adenosine A2a membrane. As the adenosine A2a membrane, a cell membrane prepared from HEK-293 cells transfected with human adenosine A2a receptor was used. The membrane used for the test was prepared by incubating with a radioligand until equilibrium was reached. In order to separate the radioligand-bound membrane, the unbound radioligand was separated by using Packard filtermate Harverster and glass filter plates.10 &#956;L of test compound dissolved in binding buffer (50 mM Tris, 10 mM MgCl2, 1 mM EDTA pH 7.4) and 20 &#956;L of [3H]-NECA (final concentration of 37 nM) or reference inhibitor was mixed with 20 &#956;L of A2a membrane in an unbound 96-well plate and incubated at room temperature for one hour. Prior to filtration, a 96-well harvest filter plate was coated with 0.33% polyethylenimine for 30 minutes and then washed with assay buffer. The binding reaction was transferred to the filter plate and washed three times with wash buffer. The dish was then dried, scintillant was added, and radioactivity was counted in a scintillation counter (Topcount NXT, Packard).
12166	1	KRASG12D Nucleotide Exchange Assay	Recombinant GDP-loaded KRAS G12D (20 nM) was treated with compound at room temperature for 20 minutes in assay buffer (10 mM Hepes pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.0025% Igepal-CA630, 0.05% BSA, 1 mM DTT, 0.5 nM SA-Tb). BIODIPY-labeled GDP (400 nM) and recombinant SOS (10 nM) were added, and the reaction was incubated for 30 minutes. HTRF signal was measured (PerkinElmer Envision), the signal ratio (&#955;em 520/&#955;em 495) was calculated, and IC50 values were calculated from the dose-response curve.
12167	1	ER&#945; TR-FRET Test	1x Tris-HCl (Sigma, PHG0002) protein buffer was prepared and mixed for later use. The compound to be detected was prepared into a stock solution with a concentration of 2 mM and then subjected to serial 3-fold gradient dilution, resulting in a total of 10 concentrations. The diluted compounds were respectively added to a reaction plate by means of Echo 550, with 100 nL per well, and at the same time 5 nL of estradiol (Sigma, 491187; final concentration 1.5 nM) was added to each well.Preparation of 1x protein mixed solution: firstly, 2x GST-ERalpha-LBD (Invitrogen, A15677)/MAb anti-GST-Eu (Cisbio, 61GSTKLA) mixed solution was prepared according to the following table.Final Working Concentration ofconcentration concentration stock solutionSubstance (nM) (nM) (nM)GST-ERalpha-LBD 2 4 20100MAb anti-GST-Eu 2.5 ng/well 50 nl/well 50 ug/ml2x biotin-SRC2/streptavidin-XL665 (Cisbio, 610SAXLA) mixed solution was prepared.Final Working Concentration ofconcentration concentration stock solutionSubstance (nM) (nM) (nM)Biotin-SRC2 75 150 1000000Streptavidin-XL665 50 ng/well 50 nl/well 1 mg/mlThe above 2x GST-NR-LBD/ MAb anti-GST-Eu solution and 2x biotin-SRC2/streptavidin-XL665 solution were uniformly mixed at a volume ratio of 1:1; and the 1x protein mixed solution was added to each well of a 384-well plate, with 20 uL being added per well, the 384-well plate was put into a centrifuge and centrifuged at room temperature at 1000 rpm for 10 seconds, and it was taken out, then left to stand at room temperature for 3 h, and then read by EnVision multifunctional microplate reader.The values at 665 and 615 (nm) were read out, and with the value at 615 as the correction value, the final value was expressed as the value at 665/the value at 615.
12168	1	Fluorescence Polarization Assay	FP binding assays were performed in 25 mM HEPES pH 7.5, 100 mM NaCl, 1 mM DTT, 0.01% NP-40 and 1 mg/mL BSA for all 3 protein complexes in black 96-well plates. After experimental plates are set, they were equilibrated by gentle mixing by placing them on an orbital shaker at 100 rpm for 2 hours at room temperature and then read on a SpectraMax i3X Multi-Mode Microplate Detection platform.Affinity of the Cyclin/Cdk complexed for the fluorescent labeled probe was determined by adding increasing concentration of each protein complex in buffer containing a carboxyfluorescein labeled probe (FAM probe) at 2 nM (preparation of FAM probe is described below). The half maximal concentration of protein needed for the maximal FP signal were 2 nM for Cyclin A2/Cdk2, 9 nM for Cyclin B1/Cdk1 and 3 nM for Cyclin E1/Cdk2. Methods to prepare the FAM probe are described in the heading below.The protein concentration used for the competitive FP assays were 8 nM for Cyclin A2/Cdk2 and 10 nM for Cyclin B1/Cdk1 and Cyclin E1/Cdk2 with 2 nM of FAM probe FAM probe. Under these conditions, the dynamic range was about 120 mP 100% binding of FAM probe and complete inhibition of binding by excess of an unlabeled competitor compound, with all experiment showing a Z&#8242; factor>0.80.
12169	1	Fluorescence Polarization Assay	TBD
12170	1	LRRK2 Km ATP LanthaScreen Assay	The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA) using GST-tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide, also from Life Technologies. The data presented for the Km ATP LanthaScreen Assay represents mean IC50 values based on several test results and may have reasonable deviations depending on the specific conditions and reagents used. Assays were performed in the presence of 134 uM ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 uM in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 ul of a 1.25 nM enzyme solution in 1x assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 ul of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 uM ATP solution in 1x assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 ul of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation of 1 hour at room temperature, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm. Compound IC50s were interpolated from nonlinear regression best fits of the log of the final compound concentration, plotted as a function of the 520/495-nm emission ratio using Activity base. Abase uses a 4 parameter (4P) logistic fit based on the Levenberg-Marquardt algorithm.
12171	1	In Vitro BRD4 (BD1) Enzymatic Activity Assay	In the present application, IC50 values of the compounds in inhibiting BRD4 (BD1) enzyme binding reaction were determined by homogeneous time resolved fluorescence (HTRF). A compounds was serially diluted 5-fold with 100% DMSO starting from 0.2 mM (7 concentrations in total), and then 2 &#956;L of the compound at each concentration was added to 48 &#956;L of a reaction buffer (20 mM HEPES pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 &#956;g/mL BSA) for dilution, and mixed well. 2.5 &#956;L of the resulting mixture was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), then 5 &#956;L of GST-BRD4 (BD1, 44-168 aa) (final concentration: 1 nM) was added, and the resulting mixture was centrifuged, and fully mixed. 2.5 &#956;L of a short peptide Biotin-AHA-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac) RHRKV (final concentration: 100 nM) was then added to initiate the reaction (total reaction volume: 10 &#956;L). The 384-well plate was placed in an incubator at 23° C. to react for 1 hour, and then 5 &#956;L of Eu3+ cryptate-labled anti-GST antibody (purchased from Cisbio) and 5 &#956;L of Streptavidin-XL-665 (purchased from Cisbio) were added to terminate the reaction. After being incubated in the incubator for another 1 hour, the fluorescence values (excited at 320 nm, emitted light at 665 nm and 620 nm being detected, and the ratio of the two being the enzyme binding signal) were read on Envision (purchased from PerkinElmer).
12171	2	In Vitro BRD4 (BD2) Enzymatic Activity Assay	In the present application, IC50 values of the compounds in inhibiting BRD4 (BD2) enzyme binding reaction were determined by homogeneous time resolved fluorescence (HTRF). A compound was serially diluted 5-fold with 100% DMSO starting from 1 mM (7 concentrations in total), and then 2 &#956;L of the compound at each concentration was added to 18 &#956;L of a reaction buffer (20 mM HEPES pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 &#956;g/mL BSA) for dilution. After being mixed well, 2 &#956;L of the compound at each concentration was added to 48 &#956;L of the above reaction buffer for dilution, and mixed well (final concentration of the compound in DMSO: 0.1%). 2.5 &#956;L of the resulting mixture was added to a 384-well plate (OptiPlate-384, purchased from PerkinElmer), then 5 &#956;L of GST-BRD4 (BD2, 349-460 aa) (final concentration: 2 nM) was added, and the resulting mixture was centrifuged, and fully mixed. 2.5 &#956;L of a peptide Biotin-AHA-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac) RHRKV (final concentration: 200 nM) was then added to initiate the reaction (total reaction volume: 10 &#956;L). The 384-well plate was placed in an incubator at 23° C. to react for 1 hour, and then 5 &#956;L of Eu3+ cryptate-labled anti-GST antibody (purchased from Cisbio) and 5 &#956;L of Streptavidin-XL-665 (purchased from Cisbio) were added to terminate the reaction. After being incubated in the incubator for another 1 hour, the fluorescence values (excited at 320 nm, emitted light at 665 nm and 620 nm being detected, and the ratio of the two being the enzyme binding signal) were read on Envision (purchased from PerkinElmer).
12172	1	Lenalidomide Assay	Compounds in Atto565-Lenalidomide displacement assay were dispensed in a 384-well microplate (Corning, 4514) using D300e Digital Dispenser (HP) normalized to 1% DMSO into 10 nM Atto565-Leanlidomide, 100 nM DDB1deltaB-CRBN, 50 mM Tris pH 7.5, 200 mM NaCl, 0.1% Pluronic F-68 solution (Sigma). Compound titrations were incubated for 60 min at RT. The change in fluorescence polarization was monitored using a PHERAstar FS microplate reader (BMG Labtech) for 1 h in 120 s cycles. Data from three independent replicates (n=3) was used to estimate IC50 values using variable slope equation in GraphPad Prism 7. Compounds 9, 10, and 11 are potent binders of CRBN with IC50 comparable to FDA approved lenalidomide, while being inactive in degradation of IKZF1
12173	1	The Inhibitory Effect of the Compound on the Activity of Human Liver Microsomal Cytochrome P450 Isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4)	The object of this study was to evaluate the effect of Example 4 on the activities of five isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4) of human liver microsomal cytochrome P450 (CYP) using an in vitro test system. The specific probe substrates of CYP450 isozymes were incubated with human liver microsomes and different concentrations of Example 4, and reduced nicotinamide adenine dinucleotide phosphate (NADPH) was added to initiate the reaction. After the reaction was completed, the samples were treated, and liquid chromatography tandem mass spectrometry (LC/MS/MS) was used to detect the metabolites produced by specific substrates.
12173	2	Enzyme Activity Assay	The object of this test is to detect the in vitro inhibitory activity of the compound against HER1 (ErbB1), HER2 (ErbB2) and HER4 (ErbB4). The enzymes used in this test were human ErbB1, ErbB2 and ErbB4. Eurofins Pharma Discovery Service provided the activity detection method, and the results of the inhibitory activity of the tested compound against HER1, HER2 and HER4 were shown in Table 1.Experimental Steps and Methods (96-Well Plate):5-fold diluted tested compound buffer (5 &#956;L), peptide substrate poly(Glu, Tyr) (4:1) (2.5 &#956;L), ErbB (4-20 ng, 2.5 &#956;L), MnCl2 (50 mM, 1.25 &#956;L), dH2O (3.75 &#956;L) and [&#947;-33P]ATP (10 &#956;L) were added, and incubated at 30° C. for 10 min. 3% phosphoric acid was added to terminate the reaction, and 10 &#956;L of the specimen was transferred to Filtermate A. The filter was washed with 75 mM phosphoric acid for three times and methanol once, and transferred to a sealed plastic bag, and a scintillation fluid mixture (4 mL) was added, The intensity of the emitted photons was detected on the scintillation luminescence counter. The photon intensity of the enzyme sample was compared with the photon intensity of the internal control sample, and the level of photon intensity reflected the strength of the tyrosine kinase activity.
12174	1	Evaluation of Inhibitory Activity Against Retinal Neovascularization by Hypoxia	The experiment was performed in order to evaluate inhibitory activity against angiogenesis of the compounds.
12175	1	Erythrocyte KCa3.1 Assay	Human blood was drawn from healthy human volunteers in a standard heparinized blood sampling vial (Vacutainer, Li/heparin, BD Bioscience, Plymouth, UK). The erythrocytes were packed by centrifugation, and the plasma and buffy coat were removed by aspiration. Erythrocytes were washed three times in the experimental salt solution and then stored at 0 C. until use. Blood samples from NMRI mice or from Wistar rats were treated similarly. The methodological principle is outlined in Macey et al. (1978) and further described in Str b k et al. (2013). Activation of the erythrocyte KCa3.1 channels were obtained by addition of the Ca2+ ionophore A23187, which causes synchronized hyperpolarization, which is reported as a CCCP-mediated shift in the unbuffered extracellular pH of the erythrocyte suspension. Standard procedure: 3 mL unbuffered experimental salt solution (in mM: 2 KCl, 154 NaCl, 0.05 CaCl2) was heated to 37 C. with stirring. Packed erythrocytes were added (50 uL, final cytocrit 1.5%), and the extracellular pH (pHo) followed with a glass/calomel (pHG200-8/REF200, Radiometer, Denmark) electrode pair. CCCP (3 uL, final concentration 20 uM) was added followed by varying concentrations of test compounds (DMSO concentration constant). After pH stabilization at 7.2, A23187 (3 uL, final concentration 0.33 uM) was added to initiate the experiment. After the peak hyperpolarization was attained, the intracellular pH (pHi constant during the experiment) was found by haemolysing the erythrocytes via addition of 100 uL of Triton-X100.
12176	1	IRAK4 Kinase Assay	The IRAK4-inhibitory activity of the inventive substances was measured in the IRAK4 TR-FRET assay (TR-FRET=Time Resolved Fluorescence Resonance Energy Transfer) described hereinafter.Recombinant fusion protein from N-terminal GST (glutathione S-transferase) and human IRAK4, expressed in baculovirus-infected insect cells (Hi5, BTI-TN-5B1-4, cell line purchased from Invitrogen, catalogue No. B855-02) and purified via affinity chromatography, was used as enzyme. The substrate used for the kinase reaction was the biotinylated peptide biotin-Ahx-KKARFSRFAGSSPSQASFAEPG (C-terminus in amide form) which can be purchased, for example, from Biosyntan GmbH (Berlin-Buch).
12177	1	ALPK1 in vitro Kinase Assay	In brief, dose-response studies were performed with HEK293 cells cultured in Dulbecco's Modified Eagle Medium (DMEM) supplemented 10% fetal bovine serum (FBS, Hyclone ) containing antibiotics (pen/strep, G418) in 384-well assay plates. Each well contained 0.1 mg TIFA, ALPK1 (2 nM final concentration in reaction mixture) and kinase buffer (100 mM of HEPES pH 7.4, 4 mM DTT, 40 mM MgCl2, 20 mM of beta-Glycerol phosphate disodium salt, 0.4 mM of Na3VO4, 0.16 mg/mL). Titrations of the test compounds were prepared in dimethylsulphoxide (DMSO). The reaction was initiated by addition of ATP and ADP-Heptose.For HTRF, samples were incubated with a Tb cryptate-labeled anti-HA antibody for capturing HA-tagged proteins according to the manufacturer's instructions (PerkinElmer , CisBio ) and the fluorescence signal was quantified (Tecan Infinite F NANO+). HTRF signals were calculated as the HTRF ratio (ratio of fluorescence measured at 665 nm and 620 nm)x104 (thereby using the signal at 620 nm as an internal standard).
12178	1	BET BRD Assay	3x Complete Substrate plus Inhibitor Solution in Assay Medium (Opti-MEM I Reduced Serum Medium, no phenol red, and no serum) was prepared just before measuring BRET. This solution consisted of a 1:166 dilution of NanoBRET Nano-Glo Substrate plus a 1:500 dilution of Extracellular NanoLuc Inhibitor in Assay Medium. For a 96-well plate, 30 ul of NanoBRET Nano-Glo Substrate, 10 ul of Extracellular NanoLuc Inhibitor and 4,960 ul of Assay Medium were mixed to produce 5 ml of 3x Complete Substrate plus Inhibitor Solution, followed with gently mixing by inversion 5-10 times in a conical tube. (The final concentration of Extracellular NanoLuc Inhibitor in the 3x solution was 60 uM, for a working concentration of 20 uM. Use 3x Complete Substrate plus Inhibitor Solution within 2 hours. Discard any remaining solution). 50 ul of 3x Complete Substrate plus Inhibitor Solution were added to each well of the 96-well plate, followed by incubation for 2-3 minutes at room temperature. Donor emission wavelength (e.g., 450 nm) and acceptor emission wavelength (e.g., 610 nm) were measured by using the GloMax Discover System or other NanoBRET Assay-compatible luminometer (it is recommended measuring BRET within 10 minutes after adding NanoBRET Nano-Glo Substrate plus Extracellular NanoLuc Inhibitor Solution. However, BRET can be measured for up to 2 hours, but there will be some loss of luminescence signal). To generate raw BRET ratio values, the acceptor emission value (e.g., 610 nm) was divided by the donor emission value (e.g., 450 nm) for each sample [to correct for background, the BRET ratio was subtracted in the absence of tracer (average of no-tracer control samples) from the BRET ratio of each sample].
12179	1	 In vitro activity assay for USP1	Each compound to be tested was dissolved with DMSO to 10 mM. The compound and pure DMSO (with a total volume of 50 nL) were loaded to each well of the 384-well plate by using an ECHO instrument to obtain gradient-diluted sample concentrations at different ratios. The enzyme was diluted with a freshly prepared reaction solution (20 mM Tris-HCl (pH 8.0), 2 mM CaCl2, 2 mM &#946;-mercaptoethanol, 0.05% CHAPS, and ddH2O). To each well, 5 &#956;L of diluted enzyme reaction solution was added, then the plate was centrifuged and oscillated to mix the enzyme and the compound, and the mixture was centrifuged again and placed on ice. The kit reporter system and the substrate were diluted with the reaction solution, then 5 &#956;L of diluted liquid was added to each well, and mixed by centrifugation. The mixture was incubated at room temperature for 0.5 h. An Envision plate reader (PerkinElmer, excitation wavelength: 485 nm, emission wavelength: 530 nm) was used to measure the fluorescence signal in each well. The inhibitory activity (IC50 values) of the compound on enzyme activity was calculated by using a four-parameter Logistic Model. 
12179	2	Assay for Inhibition of Compounds Provided in the Present Application on CYP Enzymes	Typical substrate metabolic responses of five major human CYP subtypes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4) were evaluated using 150-donor pooled human liver microsomes (purchased from Corning, Cat. No.: 452117). The influence of different concentrations of each compound to be tested on metabolic responses of phenacetin (CYP1A2), diclofenac sodium (CYP2C9), S-mephenytoin (CYP2C19), bufuralol hydrochloride (CYP2D6), and midazolam (CYP3A4) was determined by liquid chromatography-mass spectrometry (LC/MS/MS). The reaction system (200 &#956;L) (100 mmol/L phosphate buffer, pH 7.4, containing DMSO, acetonitrile and methanol at a volume ratio of 0.3%:0.6%:0.1%) of 30 &#956;M phenacetin, 10 &#956;M diclofenac sodium, 35 &#956;M S-mephenytoin, 5 &#956;M bufuralol hydrochloride, 3 &#956;M midazolam, 1 mM reduced nicotinamide adenine dinucleotide phosphate (NADPH), the compound to be tested (at concentrations of 0.1, 0.3, 1, 3, 10, 30 &#956;mol/L, respectively), or positive compound or blank control, with pooled human liver microsomes (0.2 mg/mL) was incubated at 37° C. for 5 min. Then 200 &#956;L of acetonitrile solution containing 3% formic acid and 40 nM internal standard verapamil was added and centrifuged at 4000 rpm for 50 min. The mixture was cooled on ice for 20 min and centrifuged at 4000 rpm for 20 min to precipitate the protein. Then 200 &#956;L of supernatant was analyzed by LC-MS/MS.The peak area was calculated from the chromatogram.
12180	1	HIV RT Filter Binding IC50 Assay	The RT IC50 filter binding assay utilized a synthetic D19/D78mer annealed primer template complex prepared by incubating 50 &#956;M of 19-mer [5&#8242;-G TCC CTG TTC GGG CGC CAC-3&#8242;] with 50 &#956;M of 78-mer [3-CGA CCG TCC AGG GAC AAG CCC GCG GTG GCG ATC TCT TGA CAT TCC GTA ACC TTC GTA TTT TAA GCA TCA TAG TAC ACA-5] in 50 mM Tris pH 7.8 at 95° C. for 5 minutes, 55° C. for 15 minutes, and 37° C. for 10 minutes. 22.5 nM HIV RT was added to reaction mix containing 150 mM Tris-Cl pH 7.8, 180 mM KCl, 0.33 mM DTT, 0.9 mg/mL bSA, 12.6% glycerol, 3 uM D19/D78 mer. Serial dilutions of compounds were added at equal volumes and reactions were heated to 37° C. The reactions were initiated with equal volumes of dNTP mix containing 150 &#956;M each of noncompeting dNTP and 1.2 &#956;M of competing dNTP, and 0.1 &#956;Ci/&#956;L competing dNTP. After 5 minutes at 37° C., 5 &#956;L reactions were spotted on DE81 paper, washed three times in 0.125M Na2HPO4, dried, and quantified by autoradiography. IC50 values were calculated in Prism by non-linear regression analysis using the dose-response (variable slope) equation (four-parameter logistic equation): Y=Bottom+(Top-Bottom)/(1+10{circumflex over (&#8195;)}((Log IC50&#8722;X)*HillSlope)).
12181	1	Enzyme Assay	For select test compounds, the fluorogenic enzymatic assay measuring inhibition of SARS-CoV-2 Mpro was followed by a subsequent chromatographic purification by HPLC to remove any potential fluorescence interference from the test compound. Assays contained test compound, 20 nM Mpro, 10 uM substrate (DABCYL-KTSAVLQSGFRKME-EDANS, SEQ ID NO:1), 1 uL test compound in 100% DMSO, in a final volume of 100 uL of assay buffer (10 mM HEPES, pH 7.4, 150 mM NaCl, 5 mM DTT, 0.005% Tween20). After 1 hr, the reaction was stopped by the addition of 10 uL of 100 uM GC-376 (10 uM final concentration). Test compounds, substrate and product were then separated using an Agilent 1260 Infinity HPLC system with a Luna 5 um 50×4.6 mm C8 LC column (Phenomenex) using 10 mM sodium acetate, pH 4.0 as the aqueous phase and acetonitrile as the organic phase. Both absorbance at 420 nm and fluorescence at 355 nm excitation and 460 mm emission were followed. Product peak area was then normalized to % inhibition where 0% was equal to the peak area in the absence of test compound and 100% was equal to the peak area in the absence of enzyme, which was typically not detectable. Positive control, GC-376 (IC50=10.7 nM), was tested in parallel with the test compounds to ensure the accuracy of the assay. 
12181	2	Enzyme Assay	Assays to evaluate the inhibition of cathepsin L contained 25 pM cathepsin L (RD systems: 952-CY-010), 5 uM Z-LR-AMC fluorogenic peptide substrate, 100 nL of test compound in 100% DMSO, in a total of 10 uL of 20 mM KPO4, pH 6.0, 150 mM NaCl, 0.005% Tween20, 5 mM DTT in black low volume 384-well plates. The production of AMC (7-amino-4-methylcoumarin) was followed at 5 min intervals at 355 nm excitation, 460 nm emission in an Envision microplate reader (PerkinElmer). Reaction rates were determined by linear regression of the resulting progress curves. Rates were normalized to % inhibition, where 0% is equal to the rate in the presence of enzyme, and 100% is equal to the rate in the absence of enzyme. Nonlinear regression fits of the data to a one-site dose response curve were performed using XLFit (IDBS). Positive control, GC-376 (IC50=2.0 nM), was tested in parallel with the test compounds to ensure the accuracy of the assay.
12182	1	PARP2 FP Assay	Compounds were dissolved and 4-fold serially diluted in DMSO. Compounds were transferred by an Echo to the assay plate to reach final concentrations ranging from 10 uM to 0.01 nM.  Assay buffer was composed of 50 mM Tris pH 8.0, 10 mM MgCl2, 150 mM NaCl and 0.001% Triton X100. PARP2 (BPS Bioscience, Cat #80502) was diluted in the assay buffer to make 40 nM (2xfinal concentration) enzyme solution. 5 ul of the enzyme solution was then added to each well with compound and the plate was incubated at room temperature for 10 minutes. Probe (TOCRIS, Cat #6461) was diluted in the assay buffer to make 6 nM (2xfinal concentration) probe solution and 5 ul of the probe solution was added to the wells to start the reaction. The plates were incubated for 4 hours at room temperature.  Fluorescence polarization assays (FP) were performed to measure the activity of kinase. Fluorescent polarization of the PARP2 sample was measured by exciting samples at 480 nm and detecting emission at 535 nm in both parallel and perpendicular channels on Envision (Perkin Elmer). The percentage inhibition was calculated by using the formula: % Inhibition=100x(mPHC-mPsample)/(mPHC-mPLC). The low and high control values (LC and HC) were generated from wells with only assay buffer or with enzyme and probe treated with 0.1% DMSO, respectively.
12183	1	Determination of the Inhibitory Activity of the Compounds of the Present Invention on PARP1 Enzyme	1. Experimental ObjectiveThe experimental objective of this Test Example is to determine the inhibitory activity of the compounds on PARP1 enzyme.2. Experimental InstrumentsCentrifuge (Eppendorf 5810R)Microplate reader (BioTek Synergy H1 or PerkinElmer Envision)Pipette (Eppendorf or Rainin)3. Experimental ReagentsPARP1 Chemiluminescent Assay Kit, purchased from BPS bioscience, article number: 8056920×PBST, purchased from Thermo, article number: 28352PBS, purchased from Gibco, article number: 100100234. Experimental MethodThe inhibitory activity of the compounds on PARP1 enzyme was determined by the chemiluminescence method in the experiment. The experiment was carried out in a 384-well plate. Coating histones in a 384-well plate: 5×histone solution was diluted 5 folds with PBS, added to a 384-well ELISA plate (25 &#956;L per well), and incubated at 4° C. overnight. The coated ELISA plate was rinsed with 1×PBST buffer, blocked with the blocking buffer (Blocking buffer 3 in the kit, 100 &#956;L per well) for 30 to 120 minutes, and rinsed with 1×PBST buffer 3 to 6 times. A mixture of PARP reaction biotin-labeled substrate, activated DNA, 10×PARP buffer and water was added (12.5 &#956;L per well). Compound solutions with different concentrations were formulated using the experimental buffer (10% DMSO aqueous solution containing 1.25 mM DTT). The final detection concentration started from 100 nM, with 3-fold dilution and 8 concentrations. The compound solutions were added to the reaction wells of the 384-well plate (2.5 &#956;L per well). 2.5 &#956;L of 10% DMSO aqueous solution containing 1.25 mM DTT was added to the positive control well and blank well (2.5 &#956;L per well). 10 &#956;L of PARP1 enzyme solution formulated with 1×PARP buffer was added to start the reaction. The plate was centrifuged at 1000 rpm for 1 minute, and reacted at room temperature for 60 minutes. After completion of the reaction, the reaction solution was poured off, and the plate was rinsed with 1×PBST buffer. Streptavidin-HRP solution diluted 50 folds with Blocking buffer 3 was added (25 &#956;L per well), and the plate was incubated at room temperature for 30 minutes. The reaction solution was poured off, and the plate was rinsed with 1×PBST buffer 3 to 6 times. The luminescence reaction solution obtained by mixing ECL substrate A and ELISA ECL substrate B (1:1) was added (50 &#956;L per well) for reaction. The chemiluminescence values were measured immediately with a BioTek Synergy H1 or Envision instrument.
12184	1	Enzymatic Activity Test	The specific steps were as follows: The compounds having the test starling concentration of 1 uM or 10 uM were diluted into 10 concentration points in a 3-fold gradient. 250 nL of the solutions of the compounds to be tested with 10 different concentrations were taken and added into a 384 well plate for later use. 20 ug/mL of MAT2a enzyme solution was prepared with Assay buffer (50 mM Tris, 50 mM KCl, 10 mM MgCl2, 0.05% polyoxyethylene lauryl ether, pH 8.0). 15 uL of the MAT2a enzyme solution at 20 ug/mL was add into the wells of the compounds to be tested at different concentrations; and 15 uL of Assay buffer was added into the negative control well. An incubation was carried out for 15 minutes after shaking for mixing well. A mixed substrate solution (comprising 400 uM ATP and 600 uM L-Methionine) was prepared with Assay buffer. 10 uL of the mixed substrate solution was added to the positive control well, the compound to be tested well, and the negative control well, respectively, and the reaction began, for a reaction time of 150 min. Then, 50 uL of the reaction stop solution (BIOMOL Green Reagent Enzo lifesciences, Cargo No. BML-AK111-1000) was added to stop the reaction, followed by being centrifuged at 1000 rpm for 60 s and then being incubated for 15 min. OD620 was read and data were processed.
12185	1	KRAS Biochemical Assay-BODIPY-GDP Exchange TR-FRET	Biochemical compound potencies were assessed by evaluating inhibition of SOS1-mediated nucleotide exchange in KRAS G12D. The SOS1-promoted exchange of fluorescently-labeled GDP (BOPIDY-GDP) was monitored by time-resolved fluorescence resonance energy transfer (TR-FRET). Compounds solubilized in DMSO were dispensed as concentration series into 384-well white assay plates. A preformed complex of biotin-tagged recombinant human KRAS (1.5 nM mutant KRas or wild type) and 0.15 nM terbium-labeled streptavidin (CisBIO) prepared in 10 &#956;L/well assay buffer (20 mM HEPES, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 0.01% Tween-20 and 1 mM dithiothreitol) was added and allowed to incubate for 10-minutes. The reaction was initiated with the addition of 5 &#956;L of 3 nM recombinant human SOS1 and 300 nM BODIPY-GDP in assay buffer. After a 60-minute incubation, the fluorescence was measured with excitation at 337 nm and emission at 490 and 520 nm. The TR-FRET ratio was determined as the fluorescence at 520 nm divided by the fluorescence at 490 nm multiplied by 10,000. The results were normalized to percent inhibition based on control samples: DMSO (0% inhibition) and control compound at a concentration that inhibits completely (100% inhibition). The normalized TR-FRET results were plotted against compound concentration, and the data fit to a 4-parameter Hill equation to determine the IC50 values.
12186	1	ADP-Glo assay	TBD
12187	1	SHP2 Biochemical Assay	SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluorescent product, 6,8-difluoromethylumbelliferone (DiFMU).SHP2 was pre-incubated with test compounds and the activating peptide pIRS1 (H2N-LN(pY)IDLDLV-(PEG)8-LST(pY)ASINFQK-amide) for 30 min, prior to addition of the 6,8-difluoromethylumbelliferyl phosphate (DiFMUP), (Thermo Fisher D6567). Final assay concentrations were 10 pM SHP2, 0.25 g M pIRS1 peptide, 50 &#956;M DiFMUP, 25 mM Bis-Tris propane, pH 7.0, 150 mM NaCl, 0.05% (v/v) Tween-20, 0.5 mM TCEP and 5% (v/v) DMSO. Rates of reaction were then measured over 30 min by monitoring fluorescence on a BMG Pherastar reader at excitation 360 nm/emission 450 nm. IC50 values were calculated in singlicate from the normalized dose-response plots using four parameter logistic curve fit. The Experiment for each compound was carried out in one time or multiple times, and the IC50 values were shown as a single value (for a compound measured in a single experiment) or an average value (for a compound measured in multiple experiments).
12188	1	Inhibition of Cytochrome P450 Isoenzymes	First, the test compound (10.0 mM) was diluted to prepare a working solution (100×the final concentration) with a concentration of 1.00 mM. Simultaneously, working solutions were respectively prepared for positive inhibitors of the P450 isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4 (with midazolam as a probe substrate), and CYP3A4 (with testosterone as a probe substrate)) and specific probe substrates thereof. Human liver microsomes, stored in a refrigerator at a temperature lower than &#8722;60° C., were thawed on ice, and once fully dissolved, were diluted with PB to prepare a working solution of a specific concentration (0.127 mg/mL). 20.0 &#956;L of probe substrate was added to the reaction plate (20.0 &#956;L of PB was added to the Blank wells), followed by the addition of 158 &#956;L of human liver microsomal working solution to the reaction plate. The reaction plate was then placed on ice for later use. Then, 2.00 &#956;L of the test compound (N=1) and specific inhibitors (N=2) were added to the corresponding wells. In groups without inhibitors (either with test compound or positive inhibitors), the corresponding organic solvent was added. The organic phases for the test compound control samples and positive control samples were DMSO and MeOH at a ratio of 1 to 1, and DMSO and MeOH at a ratio of 1 to 9, respectively. After pre-incubating in a 37° C. water bath for 10 minutes, 20.0 &#956;L of the cofactor (NADPH) solution was added to the reaction plate. For the CYP3A4 metabolic reaction using midazolam as the probe substrate, the reaction lasted 3 minutes; for the CYP2C19 reaction using (S)-mephenytoin as the probe substrate, and the CYP2D6 reaction using dextromethorphan as the probe substrate, the reaction lasted 20 minutes; for all other reactions, the reaction lasted 10 minutes. The reaction was then terminated by adding 400 &#956;L of pre-cooled acetonitrile solution (containing 200 ng/ml of internal standards Tolbutamide and Labetalol). Placed on a shaker, the reaction plate was shaken and evenly mixed for 10 minutes, then centrifuged at 4° C. and 4000 rpm for 20 minutes. 200 &#956;L of the supernatant was taken and added to 100 pL of water for sample dilution. Lastly, the plate was sealed, shaken to ensure the content was thoroughly mixed, and analyzed by LC/MS/MS.
12189	1	Cytochrome P450 Isoenzyme Inhibitory Activity Assay	Test compounds, standard inhibitors (at 100× final concentration), and mixed substrate working solutions were prepared; the microsomes (purchased from Corning Inc.) stored at &#8722;80° C. were taken out and thawed. To the corresponding wells were added 20 &#956;L of the test compound and standard inhibitor solutions. Meanwhile, 20 &#956;L of the respective solvent was added to the No Inhibitor Control (NIC) and blank control wells. Next, 20 &#956;L of mixed substrate solution was added to the corresponding wells, except the blank wells where 20 &#956;L of phosphate buffer (PB) was added. A human liver microsome solution was prepared (immediately returned to the fridge after the date of use was marked). Then, 158 &#956;L of this solution was added to all the wells. The sample plate was placed in a 37° C. water bath for pre-incubation. A co-enzyme factor (NADPH) solution was then promptly prepared. After 10 minutes, 20 &#956;L of NADPH solution was added to all wells. The sample plate was shaken to mix and placed back into a 37° C. water bath for an additional 10 minutes of incubation. At the respective time points, the reaction was terminated by adding 400 &#956;L of cold acetonitrile solution (internal standard at 200 ng/ml of tolbutamide and labetalol). The sample plate was mixed thoroughly and was then centrifuged at 4000 rpm for 20 minutes to precipitate proteins. 200 &#956;L of the supernatant was taken and mixed with 100 &#956;L of water, after which it was sent for LC/MS/MS analysis.
12191	1	SARS-CoV-1/2 3CLPpro Biochemical Assay	Protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, endpoint assay adapted from a previously described peptide-based Forster Resonance Energy Transfer (FRET) assay. Compounds (as 10 mM DMSO stock) were serial diluted 4-fold using 100% DMSO in a LabCyte 384-well LDV plate and acoustically transferred using a LabCyte ECHO 550 into Corning 384-well black NBS plates. Standard 10-point IC50 384-well plate layout is as follows: 100 uM of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide was stamped into columns 1 and 24 (low control), DMSO was stamped into columns 2 and 23 (high control), and serial diluted compounds were stamped from high (100 uM) to low (0.38 nM) concentrations in columns 3-12 (replicate 1) and 13-22 (replicate 2). Protocol for running the assay is as follows: assay wells stamped with 0.25 uL of compound or DMSO were filled via a ThermoFisher Multidrop Combi liquid dispenser with 14.5 uL of 150 nM or 200 nM (concentration for 25 uL final reaction volume) of SARS-CoV-1 or SARS-CoV-2 3CLProM, respectively, in assay buffer (50 mM HEPES, 0.1 mg/ml BSA, 0.01% v/v TRITON X100, 2 mM DTT, pH 7.5). Assay plates were then centrifuged at 1,000 RPM (Eppendorf 5810R, S-4-104 rotor) for 1 minute, covered, and incubated at room temperature for 15 minutes. Reactions were initiated using the Multidrop Combi liquid dispenser to titrate 10 uL of 2 uM (concentration for 25 uL final reaction volume) of fluorophore-quencher peptide substrate (from AnaSpec, Inc. Catalog No. AS-65599) solubilized in assay buffer into each well. Assay plates were again centrifuged at 1,000 RPM for 1 minute, covered, and incubated at room temperature for 30 minutes. Biochemical assays were quenched through the addition of 5 uL of 500 mM acetic acid via Multidrop Combi liquid dispenser. Assay plates were then centrifuged at 1,000 RPM for 1 minute and resulting fluoresce intensity measured on a BioTek Cytation 5 multimode plate reader (lambdaex=485 nm, lambdaem=528 nm).
12192	1	sAC Biochemical Cyclase Assay	Assays for sAC activity using purified protein were performed in 100 ul reactions containing 4 mM MgCl2, 2 mM CaCl2, 1 mM ATP, 40 mM NaHCO3, 50 mM Tris pH 7.5, and 3 mM DTT. Each reaction contained 1,000,000 counts of alpha-32P labeled ATP. Generated cAMP was purified using sequential Dowex and Alumina chromatography.
12193	1	RAS:RAF-RBD Binding Assay	The RAF-Ras binding domain (RBD) protein interaction assay utilizes recombinant biotinylated KRAS protein containing a G12D mutation (SEQ ID NO: 1) and the GST-tagged Ras binding domain of C-RAF (residues 50-132) from Jena Biosciences (catalog #PR-366). Compounds are added to KRAS and then after a 30-minute incubation time the RAF-RBD and detection antibodies are added. Small molecule inhibitors that block the interaction of c-RAF-RBD prevent generation of a TR-FRET signal. 2* Biotinylated KRAS G12D protein is diluted to 20 nM in assay buffer (20 mM HEPES pH 7.5, 150 mM sodium chloride, 10 mM magnesium chloride, and 0.01% Tween20). Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labcyte, catalog #LP-0200). Once titrations are made, 50 nL of the diluted compounds is acoustically dispensed into 384-well plates (Corning, catalog #3820) using an Echo 655 (Labcyte). Each well of the assay plate receives 5 uL of Biotinylated KRAS G12D assay solution and is incubated at room temperature for 30 minutes. Each well then receives 5 uL of 100 nM GST-C-RAF RBD protein and a 1:100 dilution of both anti-GST-d2 (Cisbio catalog #61GSTDLA) and Streptavidin-Tb cryptate (Cisbio catalog #610SATLA) in assay buffer and the plate is mixed and briefly centrifuged followed by a 60-minute incubation at room temperature. The time-resolved fluorescence resonance energy transfer signal is measured on an Envision (PerkinElmer) plate reader: dichroic mirror=LANCE/DELFIA DUAL/Bias; Emissionl=615 nm; Emission2=665 nm; delay time=60 ms. The signal of each well is determined as the ratio of the emission at 665 nm to that at 615 nm. Percent effect of each well is determined after normalization to control wells containing DMSO (no effect) or a saturating concentration of inhibitor (max effect). The apparent effect as a function of compound concentration is fit to a four-parameter logistic equation.
12194	1	PKC-Theta and PKC-Delta Inhibition Assay	PKC-theta and PKC-delta biochemical activities were measured using the PKC-theta HTRF KinEASEkit kit, according to manufacturer&#39;s instructions (Cisbio, catalogue number 61ST1PEJ). Briefly, the kinase buffer component of the kit was supplemented with 10 mM MgCl2, 1 mM DTT and 0.1% Tween 20. For the PKC-theta assay, STK substrate and ATP were added to provide a final assay concentration of 525 nM and 6.5 &#956;M, respectively. For the PKC-delta assay, STK substrate and ATP were added to provide a final assay concentration of 243 nM and 5.7 &#956;M, respectively. The streptavidin_XL665 and STK antibody-cryptate detection reagents were mixed according to the manufacturer&#39;s instructions. Test compounds were diluted in DMSO in a series of 10 semi-log step doses; 10 nL of each compound dose were dispensed in 384 well plates. Recombinant human PKC-theta (His-tagged 362-706) or PKC-delta (His-tagged 345-676) was diluted into kinase buffer to provide a final assay concentration of 10 ng/ml and added to the test compound for 30 minutes on ice. The reaction was started by addition of the substrate and ATP and incubated at 25° C. for 30 minutes or 20 minutes for the PKC-theta and PKC-delta assays, respectively. The detection reagents were added, and the plate was incubated in the dark for 2 hours. Fluorescence was measured on an Envision 2103 plate reader with optical setup for excitation at 665 nM and emission at 620 nM in the HTRF mode. 
12195	1	BTK Enzyme Activity Assay	The specific experimental process of BTK enzyme activity test is as follows:Buffer: 20 mM hydroxyethylpiperazine ethylsulfuric acid (Hepes) (pH 7.5), 10 mM magnesium chloride, 1 mM ethylene glycol bisaminoethyl ether tetraacetic acid (EGTA), 0.02% polyoxyethylene lauryl ether (Brij35), 0.02 mg/mL BSA, 0.1 mM sodium vanadate (Na3VO4), 2 mM dithiothreitol (DTT), 1% DMSO, 200 &#956;M adenosine triphosphate (ATP).1. Configuring the substrate in the newly prepared reaction buffer2. Adding the required cofactors to the above substrate solution3. Adding the kinase BTKC481S to the above substrate solution and mixing well4. Adding the compound dissolved in DMSO to the kinase reaction mixture throughEcho550 (Acoustic technology; nanoliter range), and incubating at room temperature for 20 minutes5. Adding 33P-ATP (with a specific activity of 10 &#956;Ci/&#956;L) into the reaction mixture to initiate the reaction6. Incubating at room temperature for 2 hours7. Detection of radioactivity by filtration-binding method8. Kinase activity data represent the percentage of remaining kinase activity in the test sample compared to the vehicle (dimethyl sulfoxide) reaction. Using Prism (GraphPad software) to obtain IC50 values and fitting curves
12196	1	Homogeneous Time-Resolved fluorescence (HTRF) Binding Assay	The following assay and stock buffers were prepared for use in the assay: (a) Stock buffer: 10 mM Tris-HCl, pH=7.5+150 mM NaCl, filtered, sterilized, and stored at 4° C.; and (b) 1× assay buffer, where the following ingredients were added fresh to stock buffer: 2 mM dithiothreitol (DTT), 0.0025% Tween-20, 0.1 mg/mL bovine serum albumin (BSA). The 1×Tb-Mcl-1+Cy5 Bim peptide solution was prepared by diluting the protein stock solution using the 1× assay buffer (b) to 25 pM Tb-Mcl-1 and 8 nM Cy5 Bim peptide.Using the Acoustic ECHO, 100 nL of 100× test compound(s) were dispensed into individual wells of a white 384-well Perkin Elmer Proxiplate, for a final compound concentration of 1× and final DMSO concentration of 1%. Inhibitor control and neutral control (NC, 100 nL of 100% DMSO) were stamped into columns 23 and 24 of assay plate, respectively. Into each well of the plate was then dispensed 10 &#956;L of the 1×Tb-Mcl-1+Cy5 Bim peptide solution. The plate was centrifuged with a cover plate at 1000 rpm for 1 minute, then incubated for 60 minutes at room temperature with plates covered.The TR-FRET signal was read on an BMG PHERAStar FSX MicroPlate Reader at room temperature using the HTRF optic module (HTRF: excitation: 337 nm, light source: laser, emission A: 665 nm, emission B: 620 nm, integration start: 60 &#956;s, integration time: 400 &#956;s).
12197	1	KRAS Binding Assay	The ability of a test compound to bind to KRASG12D was measured by using an HTRF KRASG12D GTP Binding Kit (Cisbio, 63ADK000CB27PEG). 100×His-tagged Human KRASG12D stock solution was diluted to 1× by adding PPI Europium detection buffer and then transferring the diluted solution to a 384-well plate (5 &#956;L/well, PerkinElmer, 6008289). 5 &#956;L of compound solution was added to each well after serial dilution, followed by addition of 5 &#956;L of GDP (50 nM) solution. After 30 minutes incubation at room temperature, 1×6His Eu cryptate antibody solution and GTP-Red tracer were added to the plate, then incubated for another 30 minutes. The HTRF signal was measured with a VICTOR Nivo multimode plate reader according to the manufacturer&#39;s instructions.
12198	1	K-RAS Inhibition Assay	Table 1: Potency and efficacy of K-RAS inhibition and toxicity of batch1 and 2 compounds. MDCK cells co-expressing GFP-K-RASG12V and mCherry-CAAX were grown on coverslips, treated with 0.1% vehicle (DMSO) or variousconcentrations of drugs (A; batch 1, B; batch 2) for 48 h, and fixed with 4%paraformaldehyde. The coverslips were mounted in mowiol and imaged byconfocal microscopy (Nikon A1) using a 60× objective. Using ImageJ softwarev1.42q, images were converted to 8-bit, and a threshold to a control pixel of eachimage was set. As a measure of K-Ras mislocalization, the fraction of mCherry-CAAX co-localizing with mGFP-K-RASG12V was calculated using a Manderscoefficient plugin downloaded from Wright Cell Image Facility.
12198	2	K-RAS Inhibition Assay	Table 3: Potency and efficacy K-RAS inhibition and toxicity of batch 3 compounds. MDCK cells co-expressing GFP-K-RASG12V and mCherry-CAAX were grown on coverslips,treated with 0.1% vehicle (DMSO) or various concentrations of batch 3 compounds for 48 h, and fixed with 4% paraformaldehyde. The coverslips were mounted in mowiol and imaged by confocal microscopy (Nikon A1) using a 60× objective. UsingImageJ software v1.42q, images were converted to 8-bit, and a threshold to acontrol pixel of each image was set. As a measure of K-Ras mislocalization, thefraction of mCherry-CAAX co-localizing with mGFP-K-RASG12V was calculatedusing a Manders coefficient plugin downloaded from Wright Cell Image Facility.Dose-response curves (three parameter fitting) were plotted using GraphPad Prismand IC50 and Emax values were calculated using the software.
12198	3	K-RAS Inhibition Assay	Table 7: Potency and efficacy of K-RAS inhibition and toxicity ofbatch 5 compounds. MDCK cells co-expressing GFP-K-RASG12V andmCherry-CAAX were grown on coverslips, treated with 0.1% vehicle (DMSO)or various concentrations of batch 5 compounds for 48 h, and fixed with 4%paraformaldehyde. The coverslips were mounted in mowiol and imaged byconfocal microscopy (Nikon A1) using a 60× objective. Using ImageJ softwarev1.42q, images were converted to 8-bit, and a threshold to a control pixel of eachimage was set. As a measure of K-Ras mislocalization, the fraction of mCherry-CAAX co-localizing with mGFP-K-RASG12V was calculated using a Manderscoefficient plugin downloaded from Wright Cell Image Facility. 
12198	4	K-RAS Inhibition Assay	Table 9: IC50: 50% inhibitory concentration for KRASG12V mislocalization. Values were calculated from at least eight data points. In general, at least three independent determinations have been performed.
12198	5	K-RAS Inhibition Assay	Table 10: IC50: 50% inhibitory concentration for KRASG12V mislocalization. Values were calculated from at least eight data points. In general, at least three independent determinations have been performed.
12199	1	PKC-Theta and PKC-Delta Inhibition Assay	PKC-theta and PKC-delta biochemical activities were measured using the PKC-theta HTRF KinEASEkit kit, according to manufacturer&#39;s instructions (Cisbio, catalogue number 61ST1PEJ). Briefly, the kinase buffer component of the kit was supplemented with 10 mM MgCl2, 1 mM DTT and 0.1% Tween 20. For the PKC-theta assay, STK substrate and ATP were added to provide a final assay concentration of 525 nM and 6.5 &#956;M, respectively. For the PKC-delta assay, STK substrate and ATP were added to provide a final assay concentration of 243 nM and 5.7 &#956;M, respectively. The streptavidin_XL665 and STK antibody-cryptate detection reagents were mixed according to the manufacturer&#39;s instructions. Test compounds were diluted in DMSO in a series of 10 semi-log step doses; 10 nL of each compound dose were dispensed in 384 well plates. Recombinant human PKC-theta (His-tagged 362-706) or PKC-delta (His-tagged 345-676) was diluted into kinase buffer to provide a final assay concentration of 10 ng/ml and added to the test compound for 30 minutes on ice. The reaction was started by addition of the substrate and ATP and incubated at 25° C. for 30 minutes or 20 minutes for the PKC-theta and PKC-delta assays, respectively. The detection reagents were added, and the plate was incubated in the dark for 2 hours. Fluorescence was measured on an Envision 2103 plate reader with optical setup for excitation at 665 nM and emission at 620 nM in the HTRF mode. 
12200	1	Filter-paper Assay	This assay relies on Whatman P-81 filter paper, which binds peptides but not SAM. Protein Methyl Transferases (PMTs) transfer 3H-Me of [3H-Me]-SAM to peptide substrates and the resultant 3H-methylated, filter-paper-bound peptide is quantified with a scintillation counter. Briefly, 6 &#956;L of the methylation reaction was spotted onto Whatman P-81 phosphocellulose filter paper (1.2×1.2 cm2) to immobilize the 3H-labeled peptide. After drying in air for 20 min, the filter paper was immersed into 20 mL of 50 mM Na2CO3/NaHCO3 buffer (pH=9.2), and washed 5 times for 10 min each time. The washed filter paper was then transferred to a 20 mL scintillation vial containing 1 mL of distilled water and 10 mL of Ultima Gold scintillation cocktail or 7 mL scintillation vial containing 0.5 mL od distilled water and 5 mL of scintillation cocktail (PerkinElmer). The radioactivity was quantified by a Beckman LS6000IC liquid scintillation counter.
12201	1	Biochemical Assay	The potency of compounds against the SARS-CoV-2 Papain like protease (PLpro) was measured using a synthetic profluorogenic substrate Z-RLRGG-AMC. Compounds were serially diluted over 11 points using 100% DMSO as a diluent, from either a top concentration of 3 mM with a half-log dilution factor or a top dose of 0.1 mM with a 2-fold dilution factor. The top dose of compound in the assay was either 30 &#956;M or 1 &#956;M. The assay buffer contained 50 mM HEPES, pH 7.5, 1 mM TCEP and 0.1% BSA; final assay conditions included 1% DMSO, 6.25 nM PLPro enzyme, 25 &#956;M peptide substrate and a 60 minute enzyme reaction time. Briefly, 250 nL of serially diluted compound was spotted into a white 384-well plate, followed by addition of SARS CoV2 PLpro enzyme (7.8 nM, 10 &#956;L) in assay buffer. The compounds and PLpro enzyme were incubated for 30 minutes at room temperature. The reaction was then initiated by the addition of profluorogenic peptide substrate in assay buffer (5 &#956;L, 125 &#956;M Z-RLRGG-AMC). The reaction was allowed to progress for 60 minutes at 25° C. after which the plate was read on a Molecular Devices Spectramax M2e reader at an Ex/Em of 360 nm/460 nm. The no compound, zero percent inhibition (ZPE) control wells contained 1% DMSO vehicle with substrate and PLpro enzyme. The hundred percent effect (HPE) wells contained an internal Pfizer control compound at a dose sufficient to accomplish complete inhibition, 1% DMSO vehicle, substrate and PLpro enzyme. Data were analyzed with ActivityBase software (ID Business Solutions, Ltd). The raw data were transformed to percent activity values using the average from the ZPE and HPE control wells. 
12202	1	In Vitro Enzymatic Activity Assay on WRN Helicase	The core helicase motif of the WRN protein (aa N517-P1238) was produced for this assay (protein production as described above). A 45 oligonucleotide sequence called FLAP26 as described by Brosh et al., 2009, DOI: 10.1074/jbc.M111446200 (TTTTTTTTTTTTTTTTTTTTTTCCAAGTAAAACGACGGCCAGTGC; SEQ ID NO: 2) was purchased from IDT (Integrated DNA Technologies, Leuven, Belgium) and used as single strand DNA substrate. The ADP-Glo assay kit (Promega, Madison, WI) allowing the quantification of ADP produced in ATP hydrolysis reactions was used for setting up this assay. Time course experiments were first performed in order to determine the best enzymatic assay conditions (including buffer conditions, reaction time and concentrations of protein, ATP and DNA substrates). A typical reaction consists of 10 nM WRN protein, 0.2 nM FLAP26, and 300 micromolar ATP in the following assay buffer: 30 mM Tris pH7.5, 2 mM MgCl2, 0.02% BSA, 50 mM NaCl, 0.1% pluronic F127 prepared in DNAse free water.To evaluate the inhibition properties of compounds of the invention, serial dilutions were prepared in DMSO (10 half log dilutions from a 10 mM DMSO solution). 50 nanoliters of each concentration was pre-incubated for 3 hours in a 384 small volume assay plate (Greiner #784075) with 2.5 microliters of a 20 nM WRN helicase protein in assay buffer with 600 micromolar ATP. Control wells were included with a high control (no inhibition), containing DMSO with no test compound, and low controls (maximal inhibition), containing buffer without protein. The reaction was started by addition of 2.5 microliters of FLAP26 at 0.4 nM and incubated for 30 minutes at room temperature. The reaction was stopped with the addition of 5 microliters of the first ADP-Glo reagent and incubated for one hour to remove the excess amount of ATP. Afterwards, 10 microliters of ATP detection reagent was added and incubated for an additional hour before reading. Luminescence output was recorded using Tecan 1000 reader, with 5 minutes delay before reading. Each concentration of compound was tested in duplicates in the assay plate.
12203	1	5-HT2A Receptor Radioligand Binding	Affinity of Compound 1 and the reference compounds DMT and 5-MeO-DMT for the 5-HT2A receptor was determined in radioligand binding experiments with [3H]ketanserin by WuXi AppTec (Hong Kong) Limited, using methods adapted from the literature and under conditions described in Table 2. TABLE 2: Assay conditions for 5-HT2A receptor radioligand binding.Receptor Source HEK293 stable cell lineVehicle 1.0% DMSOIncubation Time 1 hIncubation Temperature 25° C.Incubation Buffer 50 mM Tris-HCl, pH 7.4Ligand 1 nM [3H]ketanserinNon-Specific Ligand 1 &#956;M ketanserin
12204	1	ALK Kinase Inhibition Test	The specific experimental process was as follows: a test compound was formulated into a 10 mM mother solution with DMSO, stored at &#8722;20° C. after sub-packaging; the mother solution was thawed before use, diluted to 1 mM with DMSO, and then diluted with 1× kinase buffer (containing 50 mM 4-hydroxyethyl piperazine ethanesulfonic acid pH 7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM ortho-vanadate, 5 mM MgCl2, 1 mM DTT, 37.5 nM supplementary enzyme buffer) by 40 times. 4 &#956;L of the diluted solution of the test compound and 2 &#956;L of 0.4 ng/well ALK kinase solution (Thermo Scientific) were added into reaction wells in turn, incubated for 10 min at room temperature, then 4 &#956;L of 0.7 &#956;M biotin-labeled tyrosine kinase substrate and 5 &#956;M ATP solution were added to start the kinase reaction. After the reaction, 5 &#956;L of 43.75 nM streptavidin-labeled XL665 was added, the materials were evenly mixed and then 5 &#956;L of 0.04 nM europium-labeled tyrosine kinase antibody detection solution was imeddiately added. After reacting at room temperature for 1 hour, a fluorescence signal was detected using a SpectraMax i3× instrument (excited at 320 nm, emitted at 665 nm, 615 nm).
12205	1	Qube Assay	NaV1.5 current measurements on Qube were obtained as follows: NaV1.5 currents were elicited with a 20 second 3 Hertz pulse train in the control condition (DMSO only) and after compound addition. The pulse train consisted of sixty 20 millisecond test pulses to 0 millivolt from a holding potential of +-80 millivolt (mV). The average peak currents elicited by the last 3 test pulses were used to determine IC50 values for NaV1.5 inhibition. The following buffers were used for the Qube recordings: External buffer for NaV1.8 Qube recording: 150 NaCl, 2 CaCl2, 5 KCl, 1 MgCl2, 10 HEPES, 12 Dextrose; External buffer for Qube NaV1.5 recording: 120 N-Methyl-D-Glucamine, 40 NaCl, 1 KCl, 2.7 CaCl2), 5 HEPES, 0.5 MgCl2; and Internal buffer for Qube recording: 120 CsF, 30 CsCl, 10 EGTA, 5 HEPES, 5 NaF, 2 MgCl2.
12206	1	Cereblon (CRBN) Target Engagement	Cereblon target engagement was monitored by Bioluminescence Resonance Energy Transfer (BRET) in transfected HEK-293T cells using the NanoBRET TE Intracellular E3 Ligase Assay (Promega). Briefly, 384-well plates (white opaque plates, Corning 3574, low binding surface) were seeded with transfected HEK-293T cells (38 uL/well). 2 uL of 10 uM CRBN tracer (diluted 1:5 in Tracer Dilution Buffer) was added to each well. Plates were centrifuged at 320 g for 1 min at room temperature. Test compounds were added in a 11-point dilution series (typically 10 uM to 100 uM) using a TECAN D300e Digital Dispenser. Plates were shaken for 2 minutes on a microplate shaker to mix compounds. Plates were centrifuged at 320 g for 1 min at room temperature, and subsequently incubated for 2 hours at 37 C.After incubation, plates were allowed to cool to room temperature for 15 minutes. 20 uL of 3 Complete NanoBRET Nano-Glo Substrate plus Inhibitor Solution (Promega, 1:166 Substrate and 1:500 dilution of Extracellular NanoLuc Inhibitor diluted in Opti-MEM) were added to each well. Plates were incubated with shaking at room temperature for 3 minutes covered with foil. Plates were read on a CLARIOstar microplate reader (BMG LabTech), measuring at 450 nm (donor emission) and 610 nm (acceptor emission). The IC50 values were determined by regression to best fit four-parameter logistic curves using GraphPad Prism.
12207	1	IL4I1 Enzymatic Assay	Using this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution) titration curve using the following outlined procedure. To each well of a black flat-bottom Greiner (Cat #781076) 384 well-plate, 25 nL of compound (0.1% DMSO in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 12.5 &#956;L of 1× assay buffer (50 mM Hepes 7.0 and 0.005% Tween20 (Sigma, Cat #P8341; low peroxide grade)) containing 2 nM of recombinant IL4I1 (R&D Systems, Cat #5684-AO-020). Plates were placed in an ambient temperature humidified chamber for a four-hour pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 12.5 &#956;L 1× assay buffer containing 2 mM of each aromatic amino acids (Phe/Tyr/Trp), 0.1 mM Amplex Red and 2 U/mL of HRP. The final reaction in each well of 25 &#956;L consisted of 1 nM of IL4I1, 1 mM of each residues (Phe, Tyr and Trp), 0.05 mM Amplex Red and 1 U/mL of HRP. It should be noted that the concentrations of Amplex Red and HRP used here were in excess such that the conversion of H2O2 to resorufin product occurred
12208	1	TYK2 JH2 Domain Binding Assay	Assays were performed in 384-well plates with a final assay volume of 20 &#956;L containing copper-polyvinyltoluene scintillation proximity assay (SPA) beads (PerkinElmer Life Sciences, catalogue no. RPNQ0095) at 80 g/ml, H3 probe (20 nM), the N-terminal His-tagged TYK2 pseudokinase domain (2.5 nM, purified by Pharmaron), and test compounds in assay buffer (50 mM HEPES, pH 7.5, 100 g ml-1 BSA, 5% DMSO). After incubating at room temperature for 30 min, the inhibition was calculated by the displacement of [3H] 3 binding as determined by scintillation counting. Dose-response curves were generated to determine the concentration required to inhibit H3 probe binding by 50% (IC50).
12209	1	Evaluation of Virus protease (Main Protease) Inhibitory Activity	The Mpro/3CL protease enzyme inhibitory activity of each of the above compounds (test compounds) was evaluated using an assay kit based on FRET (product name: 3CL Protease Untagged Assay Kit, BPS Biosceience, CA, USA). Specifically, first the test compound of each concentration after the serial dilution was dispensed to a 96 well plate at 10 &#956;l/well. Then, the 3CL protease was added at 15 ng/30 &#956;L/well, followed by stirring at room temperature for 30 minutes to incubate. Immediately after that, 200 &#956;M of 3CL Protease fluorogenic substrate was added at 10 &#956;L/well. After incubation up to 4 hours under a condition of 25° C., the fluorescent emission intensity (excitation 360 nm/luminescence 460 nm) was quantified using microplate reader Cytation 5 (BioTek). From the quantified value, the IC50 value was calculated to evaluate the anti-SARS-CoV-2 enzyme inhibitory activity of each test compound.
12210	1	HTRF Assay	PD-L1 His protein was prepared and added at the final concentration of 6 nM in the White opaque 384 well plate (Corning cat #3824BC). PD-L1 small molecule inhibitors were diluted by 3-fold starting from 1 &#956;M and a final concentration of 0.00001 &#956;M and added to the well. PD-1 Fc protein was added at the final concentration of 6 nM. PD-L1 His protein, PD-L1 small molecule inhibitors, and PD1 Fc proteins were added to the well in this order, with each 5 ml volume, and were incubated for 15 minutes at room temperature. PAb anti-Human IgG-XL665 (Cisbio, cat #61HFCXLA) and Mab anti-6HIS Tb cryptate Gold (Cisbio, cat #61HI2TLA) were mixed at 6.7 nM and 0.35 nM respectively, and total 5 &#956;L volume of mixture was added to the well and incubated at room temperature overnight. The plate was read using PerkinElmer Envision plate reader and data was analyzed by Prism 6 software. 
12211	1	ROCK1, ROCK2, PRKX, and PKA Inhibition Assay	Compounds as a powder were dissolved in dimethyl sulfoxide to make a 10 mM stock. Compounds were tested in 10-dose IC50 triplicate mode with a 3-fold serial dilution starting at 1 &#956;M. The control compound, staurosporine, was tested in 10-dose IC50 mode with 4-fold serial dilution starting at 20 &#956;M. The HotSpot kit employing 33P-ATP was used with reactions conducted at 10 &#956;M ATP for each tested enzyme. The percent activity relative to DMSO controls for each concentration was then fitted to a curve using GraphPad Prism to determine the IC50. Curve fits were performed where the enzyme activities at the highest concentration of compounds were less than 65%. An IC50 value less than 50.8 &#956;M or higher than 1 &#956;M is estimated based on the best curve fitting available.
12211	2	hERG Kd Inhibition Assay	Compounds were dissolved in DMSO to a stock concentration of 10 mM and tested in 10-dose IC50 mode, in triplicate, with a 3-fold serial dilution starting at 100 uM. Control compound E-4031 was tested in 10-dose IC50 mode with 3-fold serial dilution starting at 1 uM. The assay is based on the competition of fluorescently labeled Tracer binding to the membrane preparation containing 1x Predictor hERG Membrane with 1 nM Predictor hERG Tracer Red in a buffer with the composition of 25 mM Hepes, pH 7.5, 15 mM KCl, 1 mM MgCl2, 0.05% PF-127, and 1% DMSO.  Compounds in DMSO were added into the membrane mixture by using sonication, the tracer was added and gently mixed in the dark. The fluorescence was measured after 4 hours incubation at room temperature. The measurement parameters are as follows: Ex=531 nm FP and Em=595 nm P and S.
12212	1	Biochemical QPCT and QPCTL Activity Assay	QPCT or QPCTL dependent conversion of N-terminal glutamine to pyroglutamate of CD47 was monitored via MALDI-TOF MS. Test compounds were dissolved in 100% DMSO and serially diluted into clear 1,536-well microtiter plates. Enzymatic reactions were set up in assay buffer containing 20 mM Tris pH 7.5, 0.1 mM TCEP, 0.01% BSA, and 0.001% Tween20. 2.5 &#956;L of 2× concentrated QPCTL (in-house) or QPCT (Origine #TP700028) enzyme in assay buffer (0.5 nM final concentration, columns 1-23) or plain assay buffer (columns 24) were added to each well. The plates were incubated for 10 min in a humidified incubator at 24° C. Subsequently, 2.5 &#956;L of CD47 peptide substrate surrogate (19QLLFNKTKSVEFTFC33) was added to each well (final concentration: 10 &#956;M for QPCTL/20 &#956;M for QPCT). The plates were mixed for 30 sec at 1,000 rpm and subsequently incubated for 40 min in a humidified incubator at 24° C. After incubation, the enzymatic reaction was stopped by adding 1 &#956;L containing stable isotope labeled internal standard peptide 19[Pyr]LLFN(K)TKSVEFTFC33 (final concentration 4.0 &#956;M) as well as SEN177 (final concentration 10 &#956;M). The plates were sealed with an adhesive foil, mixed for 30 s at 1,000 rpm and stored at room temperature until preparation of the MALDI target plates. MALDI target plates were prepared as described previously.
12213	1	JAK2 Activity Inhibition Assay	The enzymatic activity of JAK2 was assessed by detecting the substrate phosphorylation level in a kinase reaction with a homogeneous time-resolved fluorescence (HTRF) kinase detection kit (Cisbio, 62TK0PEC). A reaction buffer contained an enzyme buffer (1×), 5 mM MgCl2, 1 mM DTT and 0.01% Brij35 from the kit; a human recombinant JAK2 protein (Carna Biosciences, 08-045) was diluted to a kinase reaction solution of 0.15 ng/&#956;L with the reaction buffer; a substrate reaction solution contained 2.5 &#956;M ATP and a biotin-labeled tyrosine kinase substrate diluted to 0.25 &#956;M with the reaction buffer; a detection buffer contained 0.1 ng/&#956;L Eu3+ labeled cage antibody (Cisbio, 61T66KLB) and 12.5 nM streptavidin-labeled XL665 (Cisbio, 610SAXLB) in the reaction buffer; the compound was dissolved to 10 &#956;M in DMSO, followed by a serial 4-fold dilution with DMSO to a minimum concentration of 0.061 nM. Each concentration was further diluted 40-fold with the reaction buffer. To a 384-well assay plate (Corning, 3674) were added 4 &#956;L of the compound solutions having a series of concentrations and 2 &#956;L of JAK2 kinase reaction solutions. After being mixed evenly, the mixtures were incubated at room temperature for 15 minutes, and then 4 &#956;L of the substrate reaction solutions were added. The reaction mixtures were incubated at room temperature for 30 minutes. Then the reaction mixtures were added with 10 &#956;L of detection solutions, mixed evenly, and allowed to stand at room temperature for 30 minutes. An Envision plate reader (Perkin Elmer) was then used to measure the progress of the reaction at wavelengths of 620 nm and 665 nm.
12213	2	TYK2 Activity Inhibition Assay	The enzymatic activity of TYK2 was assessed by detecting the substrate phosphorylation level in a kinase reaction with a homogeneous time-resolved fluorescence (HTRF) kinase detection kit (Cisbio, 62TK0PEC). A reaction buffer contained an enzyme buffer (1×), 5 mM MgCl2, 1 mM DTT and 0.01% Brij35 from the kit; a human recombinant TYK2 protein (Carna Biosciences, 08-147) was diluted to a kinase reaction solution of 0.25 ng/&#956;L with the reaction buffer; a substrate reaction solution contained 11.25 &#956;M ATP and a biotin-labeled tyrosine kinase substrate diluted to 0.5 &#956;M with the reaction buffer; a detection buffer contained 0.1 ng/&#956;L Eu3+ labeled cage antibody (Cisbio, 61T66KLB) and 25 nM streptavidin-labeled XL665 (Cisbio, 610SAXLB) in the reaction buffer; the compound was dissolved to 10 &#956;M in DMSO, followed by a serial 4-fold dilution with DMSO to a minimum concentration of 0.061 nM. Each concentration was further diluted 40-fold with the reaction buffer. To a 384-well assay plate (Corning, 3674) were added 4 &#956;L of the compound solutions having a series of concentrations and 2 &#956;L of kinase reaction solutions. After being mixed evenly, the mixtures were incubated at room temperature for 15 minutes, and then 4 &#956;L of the substrate reaction solutions were added. 
12214	1	Biochemical Assay	The assay buffer containes 5 mM HEPES pH 7.4 (Applichem), 150 mM NaCl (Sigma), 10 mM EDTA (Promega), 1 mM DTT (Thermofisher), 0.05% BSA Fraction V, pH 7.0, (ICN Biomedicals), 0.0025% (v/v) Igepal (Sigma) and 100 mM KF (FLUKA).The expression and purification of N-terminally GST-tagged human K-RasG12C (termed GST-hK-RasG12C) and N-terminally His-tagged human SOS1 (termed His10-hSOS1) is described in WO 2019/201848, page 220 line 12-34 and page 222, line 13-25 (expression) and page 222, line 26 to page 223, line 17 (purification). Concentrations of protein batches used are optimized to be within the linear range of the HTRF signal. A Ras working solution is prepared in assay buffer containing typically 10 nM GST-hK-RasG12C and 2 nM antiGST-Eu(K) (Cisbio, France). A SOS1 working solution is prepared in assay buffer containing typically 20 nM His-hSOS1 and 10 nM anti-6His-XL665 (Cisbio, France). An inhibitor control solution is prepared in assay buffer containing nM anti-6His-XL665 without SOS1.Fifty nl of a 100-fold concentrated solution of the test compound in DMSO are transferred into a black microtiter test plate (384 or 1536, Greiner Bio-One, Germany). For this, either a Hummingbird liquid handler (Digilab, MA, USA) or an Echo acoustic system (Labcyte, CA, USA) is used.All steps of the assay are performed at 20° C. A volume of 2.5 &#956;l of the Ras working solution is added to all wells of the test plate using a Multidrop dispenser (Thermo Labsystems). After 2 min preincubation, 2.5 &#956;l of the SOS1 working solution are added to all wells except for those wells at the side of the test plate that are subsequently filled with 2.5 &#956;l of the inhibitor control solution. After 60 min incubation the fluorescence is measured with a Pherastar (BMG, Germany) using the HTRF module (excitation 337 nm, emission 1: 620 nm, emission 2: 665 nm).
12215	1	The TR-FRET Assay	The TR-FRET assay buffer with a formula of 50 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA and 1 mM DTT was freshly prepared before each experiment. All TR-FRET assays were performed in black 384-well plates with 20 &#956;l/well assay volume in the TR-FRET assay buffer at room temperature (approximately 25° C.). All peptides or compounds were solubilized in DMSO. To test the competitive activity of peptides or compounds against the interaction between GST-MAGEA11 MHD and FAM-PCF11_4 peptide, 10 &#956;l/well peptide or compound at specified concentration was dispensed into a black 384-well low volume plate, followed by 5 &#956;l/well FAM-PCF11_4 (800 nM), 5 &#956;l/well Tb-anti-GST (20 nM) and GST-MAGEA11 MHD (20 nM). The assay components in each well was then mixed by shaking the plate on an IKA MTS 2/4 digital microtiter plate shaker (IKA Works; Wilmington, NC, USA) at 900 RPM for 1 minute. The plate was further centrifuged in an Eppendorf 5810 centrifuge with an A-4-62 swing-bucket rotor (Eppendorf AG, Hamburg, Germany) at 201 g (1000 rpm) for 30 seconds. The plate was then incubated for 90 min with a lid to avoid light exposure to the assay components. After incubation, the fluorescent emission signals at 520 nm and 490 nm channels of individual wells were measured with a PHERAstar FS plate reader (BMG Labtech; Durham, NC, USA) by using a 340 nm excitation filter, 100 &#956;s delay time, and 200 &#956;s integration time. The TR-FRET fluorescence emission ratio (TR-FRET signal) for each well was presented as 10 000×520 nm/490 nm, which was used directly for curve fitting, or further converted to % Inhibition based on the respective positive and negative controls. The graphic software GraphPad Prism 4.81 (GraphPad Software; La Jolla, CA, USA) was used to generate curves and derive IC50 values of tested peptides or compounds, if applicable.
12216	1	CB1 receptor binding assay	Mouse brain membranes were used as the source material for CB1 receptors. The displacement of specifically bound tritiated CP-55.940 from these membranes using a standard filtration assay was used to determine the Ki values for the test compounds. Briefly. 20 &#956;g of protein was incubated for 1 h at 30° C. in the presence of 0.5 nM [3H]CP-55,940 and various concentrations (10&#8722;5M-10&#8722;11M) of test compound/control, final volume of 1 mL. The incubation was terminated by rapid filtration and washing, and the amount of specifically bound [3H]CP-55,940 was determined. Briefly, membranes with bound [3H]CP-55,940 were separated and washed from free ligand by vacuum filtration, adsorbing the membrane onto a Whatman glass microfiber filter paper (LIFEGENE, Cat #1821271). Finally, the Whatman filter paper with adsorbed membranes was cut and placed in scintillation liquid (Ultima Gold) for 1 h at 25° C. followed by a &#946; counter reading of bound [3H]CP-55,940 radioligand. All data were in triplicates with Ki values determined using GraphPad Prism 7.02 analysis software. Data normalized between 0 and 100% specific binding were plotted against log concentration of test compound, and Ki was extracted using nonlinear regression analysis.
12216	2	CB2 receptor binding assay	Human kidney membranes were used as the source material for CB2 receptors. The displacement of specifically bound tritiated CP-55,940 from these membranes using a standard filtration assay was used to determine the Ki values for the test compounds. Briefly, 1.25 &#956;g of protein was incubated for 1.5 h at 30° C. in the presence of 0.5 nM [3H]CP-55,940 and various concentrations (10&#8722;5M-10&#8722;11M) of test compound/control, final volume of 1 mL. The incubation was terminated by rapid filtration and washing, and the amount of specifically bound [3H]CP-55,940 was determined. Briefly, membranes with bound [3H]CP-55,940 were separated and washed from free ligand by vacuum filtration, adsorbing the membrane onto a Whatman glass microfiber filter paper (LIFEGENE, Cat #1821271). Finally, the Whatman filter paper with adsorbed membranes was cut and placed in scintillation liquid (Ultima Gold) for 1 h at 25° C. followed by a &#946; counter reading of bound [3H]CP-55,940 radioligand. All data were in triplicates with Ki values determined using GraphPad Prism 7.02 analysis software. Data normalized between 0 and 100% specific binding were plotted against log concentration of test compound, and Ki was extracted using nonlinear regression analysis.
12216	3	hERG Assay	Cardiotoxicity potential of BNS808 and BNS822 on the hERG potassium channels was evaluated using the automated patch clamp method (SyncroPatch 384PE).
12217	1	 ATPase assay	Experiment on Inhibitory Effect of Cardiac Myosin ATPase Activity.
12218	1	in vitro human biochemical cGAS inhibition	in vitro human biochemical cGAS inhibition.
12219	1	Thallium flux assay	TBDCHO-K1 cells stably expressing human TREK-1 or HEK293 cells stably expressing human TREK-2 are plated in 384-well plates, cultured overnight, loaded with Thallos dye the following day, treated with test compounds or control compound (tert-butyl (3-((4-(benzyloxy)-2-methylphenyl)carbamoyl)-4-chlorophenyl)carbamate) or 0.3% DMSO (vehicle control) for 10 min, and then treated with thallium stimulus buffer to initiate thallium flux.
12219	2	TREK-1 Manual Patch Clamp (hMPC) assay	TBDCHO-K1 cells stably expressing human TREK-1 or HEK293 cells stably expressing human TREK-2 are plated on glass coverslips, and voltage clamped in the whole-cell configuration of the patch clamp technique. Cells were voltage clamped at a holding potential of &#8722;80 mV and the stepped to 0 mV for 500 msec. The voltage was subsequently ramped from &#8722;120 mV to +80 mV over a 500 msec duration. This step-ramp protocol was repeated every 10 sec. The bathing solution contained the following: 135 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, 5 mM D-Glucose, 10 mM HEPES, 10 mM sucrose (adjusted to pH 7.4 with NaOH, 300 mosmol/kg H2O). The pipette solution contained the following: 135 mM KCl, 2 mM MgCl2, 1 mM EGTA, 10 mM HEPES, 2 mM Na 2 ATP (adjusted to pH 7.35 with KOH, 285 mosmol/kg H2O).
12220	1	AlphaScreen assay	No detail is given.
12221	1	DDR1 and DDR2 binding assays	DDR1 and DDR2 binding assays were performed using Life Technologies LanthaScreen Europium Kinase Binding assay. The compounds were incubated with 5 nM DDR1 (Carna Biosciences) or 5 nM DDR2 (Life Technologies) for 1 hour at room temperature in white 384-well OptiPlate (PerkinElmer), containing 20 nM or 10 nM Kinase Tracer 178 respectively and 2 nM Europium labelled anti-GST antibody (Life Technologies) in assay buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA and 0.01% BRIJ35). The ratio of fluorescence emission 665 nm/615 nm after excitation at 340 nm was obtained using the Tecan Spark 20M plate reader. IC50 values were determined in GraphPad Prism 8.0 software, using 4 parameter model: log(inhibitor) vs. response.
12222	1	PX Assay for HCN1 HCN2 and HCN4	PatchXpress 7000A Solutions are used to record HCN currents.
12222	3	IonWorks Quattro Assay for hERG and nav1.5	IonWorks Quattro Solutions are used to record hERG and nav1.5 currents.
12222	2	Sophion Qube Assay for HCN1, HCN2, HCN4, hERG, and nav1.5	Sophion Qube Solutions are used to record HCN currents.
12223	1	Coupled Nucleotide Exchange Assay (5min)	Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for either 5 min. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12223	2	Coupled Nucleotide Exchange Assay (20 hours)	Purified GDP-bound KRAS protein (aa 1-169), containing either G12C or G12D, as well as C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for 20 hours. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12224	1	Patch clamp assay	HEK293 cells were cultured in Dulbecco&#39;s Modified Eagle Medium/Nutrient Mixture F-12 (D-MEM/F-12) supplemented with 10% fetal bovine serum, 100 U/mL penicillin G sodium, 100 ug/mL streptomycin sulfate and 500 ug/mL G418. Before testing, cells in culture dishes were washed twice with Hank&#39;s Balanced Salt Solution, treated with Accutase and re-suspended in the culture media ( 20 106 cells in 20 mL). Cells in suspension were allowed to recover for 10 minutes in tissue culture incubator set at 37 C. in a humidified 95% air: 5% CO2 atmosphere. Immediately before use in the SyncroPatch 384PE system (SP384PE), the cells were washed twice in extracellular buffer (HB-PS) to remove the culture medium and re-suspended in 20 mL of HB-PS. Extracellular buffer was loaded into the wells of Nanion 384-well Patch Clamp (NPC-384, 4 M) chip (60 uL per well). Then, cell suspension was pipetted into the wells (20 uL per well) of the chip. After establishment of the whole-cell configuration, membrane currents were recorded using patch clamp amplifier in the SP384PE system.
12225	1	Golgi &#945;-Mannosidase II (alpha-hGMII) and &#945;-Mannosidase (alpha-hLM) Activity Assay	Compounds were diluted to give the final concentration of 100 &#956;M and mixed with 4-MU-&#945;-D-mannopyranoside as substrate and human Golgi &#945;-mannosidase II in phosphate buffer (0.1 M Sodium phosphate dibasic, pH 7.0) or human lysosomal &#945;-mannosidase in citric phosphate buffer (0.1 M Sodium phosphate monobasic monohydrate, 0.5 mM citric acid monohydrate, pH 4.6). The assay was carried out at 37° C. for a certain time (1 h for &#945;-hLM, 2 h for &#945;-hGMII). Stop solution (0.5 M K2CO3(aq), pH 10.8) was then added to the reactions and the fluorescence was determined at 355 nm excitation and 460 nm emission (SpectraMax M5, Molecular Devices). Inhibition was performed as relative enzyme activity to control. The active compounds were selected for libraries preparation and further tested at lower concentration to determine their IC50 values. The assays performed in 384-wells of the microtiter plates.
12226	1	standard FabI enzyme assay	To probe the effects of varying ring systems and amine placement on FabI target engagement, the apparent inhibition constants (Kiapp) for select compounds were determined using purified FabI. The goal of these studies was two-fold, to comparatively assess fabimycin, Debio-1452-NH3, and Debio-1452, and to also assess differential activity against the E. coli and A. baumannii versions of FabI. FabI from E. coli and A. baumannii were recombinantly expressed and purified, and the ability for each compound to inhibit the activity of these enzymes was evaluated using a standard FabI enzyme assay.
12227	1	Determination of Human GHSR Agonist Activity	This method was used to determine the agonism effect of the compound of the invention on the activity of human GHSR protein expressed in human GHSR/CHO stable cell line.
12228	1	Assay for gamma1-containing GABAA Subtypes	The affinity of compounds at GABAA &#947;1 subunit-containing receptors was measured by competition for [3H]RO7239181 (67.3 Ci/mmol: Roche) binding to membranes from HEK293F cells (ThermoFisher R79007) expressing human (transiently transfected) receptors of composition &#945;5&#946;2&#947;1, &#945;2&#946;2&#947;1, &#945;1&#946;2&#947;1. For better protein expression of the &#945;2 subunit-containing receptors, the 28 amino acid long signal peptide (Metl to Ala28) of the human GABAA &#945;2 subunit was substituted by the 31 amino acid long signal peptide (Met1 to Ser31) of human GABAA &#945;5 subunit.
12228	2	Binding Assay for gamma2-containing GABAA Subtypes	The affinity of compounds at GABAA &#947;2 subunit-containing receptors was measured by competition for [3H]Flumazenil (81.1 Ci/mmol; Roche) binding to HEK293F cells expressing human (transiently transfected) receptors of composition &#945;1&#946;3&#947;2.
12229	1	TBD	Briefly, 10× stock solutions of MK2 (PV3317, from Life Technologies), 1.13X ATP (AS001A), and Sox conjugated peptide substrate, S/T3-Sox, (KZN1031) were prepared in 1× kinase reaction buffer consisting of 20 mM Tris, pH 7.5, 5 mM MgCl2, 1 mM EGTA, 5 mM &#946;-glycerophosphate, 5% glycerol (10× stock, KB001A) and 0.2 mM DTT (DS001A). Enzyme solution (5 &#956;L) was added to each of DMSO (5 &#956;L) or serially diluted test compounds prepared in DMSO in a Corning (#3574) 384-well, white, non-binding surface microtiter plate (Corning, NY). Kinase reactions were started with the addition of 45 &#956;L of the ATP-peptide substrate S/T3-Sox mix and monitored every 71 seconds for 120 minutes at &#955;ex360/&#955;em485 in a Synergy H4 plate reader from BioTek (Winooski, VT) at room temperature.
12230	1	Plasma Kallikrein Assay	The effectiveness of a compound of the present invention as an inhibitor of plasma kallikrein can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at rt or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the half-maximal inhibitory concentrations (IC50), or the inhibitory constant, Ki.
12230	2	Factor XIa Assay	The effectiveness of a compound of the present invention as an inhibitor of Coagulation factor XIa can be determined using a relevant purified serine protease, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at rt or at 37° C. Hydrolysis of the substrate resulted in release of amino trifluoromethylcoumarin (AFC), which was monitored spectrofluorometrically by measuring the increase in emission at 510 nm with excitation at 405 nm. A decrease in the rate of fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. The results of this assay are expressed as the half-maximal inhibitory concentrations (IC50), or the inhibitory constant, Ki.
12231	1	Terbium labeled Myeloid Cell Leukemia 1 (Mcl-1) homogeneous time-resolved fluorescence (HTRF) binding assay	This assay evaluated inhibition of the BH3 domain: Mcl-1 interaction by measuring the displacement of Cy5-labeled BIM BH3 peptide (H2N (C/Cy5Mal) WIAQELRRIGDEFN-OH) in the HTRF assay format.
12232	1	BINDING AFFINITY ASSAY	For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12233	1	Lipoxygenase-15 Assay	Briefly, reactions were carried out in Corning 96 half-well black, flat bottom assay plates and contained final concentrations of 50 &#956;M arachidonic acid (Cayman Chemical) as a substrate, 1:10 (v:v) cholate mix (2% (w:v) sodium cholate (Sigma-Aldrich) and 2% (v:v) DMSO with or without test compounds), 40 &#956;M dihydrorhodamine 123 (Sigma-Aldrich) and 1:200 lipoxygenase-15 enzyme (soybean enzyme from Lipoxygenase Inhibitor Screening Assay Kit Item No. 760700 (Cayman Chemical)) in 100 mM Tris-HCl, pH 7.5. Cholate mix contained 2% (w:v) sodium cholate dissolved in 2% (v:v) DMSO. Cholate mix is used for the positive control wells (100% enzymatic activity). Due to the fact, that test compound stocks were dissolved in 100% DMSO, cholate mix was adjusted (sodium cholate was dissolved in water) and test compound DMSO stocks were further diluted with this solution in order to keep the final DMSO concentration in reaction below 0.2% and equal in all wells. Assay buffers and DMSO were deoxygenated to keep test compounds in the reduced state**. Stock solutions of test compounds were prepared in DMSO and then diluted to final assay concentrations in cholate mix such that final cholate and DMSO concentrations were maintained at 0.2%. Reactions were initiated by the addition of 50 &#956;L of enzyme mix (80 &#956;M dihydrorhodamine 123 and 1:100 lipoxygenase-15 enzyme in 100 mM Tris-HCl, pH 7.5) to wells containing 50 L substrate and cholate mix in 100 mM Tris-HCl, pH 7.5 and linear rates were assessed by measuring fluorescence, using excitation/emission of 485/535 nm on a Hidex Sense microplate reader every 10 seconds for 5 minutes at room temperature.
12234	1	Fluorometric CYP450 Enzyme Inhibition Assay	Test compounds were prepared in 100% DMSO or 100% MeOH and did not exceed a final concentration of <0.2% in the final reaction. A 100 mM sodium phosphate buffer was prepared and adjusted to pH 7.4. In a separate falcon tube, a 2 enzyme/substrate (E/S) solution was prepared in phosphate buffer. The final concentration of CYP2D6 (CORNING ) and 7-amido-4-methyl coumaric acid (AMMC) was 10 nM and 4 uM, and CYP3A4 (CORNING ) and 7-benzyloxy-4-(trifluoromethyl) coumarin (BFC) was 20 nM and 40 uM, respectively. In a separate falcon tube, a 2 NADPH regenerating system (NRS) was prepared in phosphate buffer. The final concentration for each component in the assay was as follows:CYP2D6 assay: 0.008 mM NADPH, 3.3 mM glucose 6-phosphate, 0.4 U of glucose-6-phosphate dehydrogenase per mLCYP3A4 assay: 2.45 mM NADPH, 24.7 mM glucose 6-phosphate, 1.25 U of glucose-6-phosphate dehydrogenase per mLBoth enzymatic assays were conducted in a 96-well microtiter plate (Black, CORNING COSTAR ) with a final volume of 100 uL. Preparation of the plate began with the addition of 74 uL of the E/S in the first well, and 50 uL to all subsequent wells (from 2-11). The test compounds (1 uL) were dissolved in the first well to give the first row a final volume of 75 uL. A 1:3 serial dilution of the test compound was conducted by removing 25 uL from the first well and diluting it with the second and so forth until the tenth row. Final concentrations yielded a range from 200 uM-0.01 uM. Well no. 11 contained no inhibitor, and well no. 12 contained no enzyme. Both were used as controls for background fluorescence. The plate was incubated for 30 min at 37 C. After incubation, the reaction was initiated by the addition of 50 uL of the 2 NRS to each well.
12235	1	Conditioned place preference (CPP) assay	The CPP assay was performed 6 h later under the ad libitum feeding condition (n=10 mice for both the Vehicle- and ACY775-treated groups). CPP assay under a 20-h fasting condition was also performed. DIG mice were treated with vehicle or ACY775 (10 mg/kg, i.p.) once a day and fasted for 15 h after the third injection. On the fourth day, 1 h after the beginning of the light cycle, the mice were administered vehicle or ACY775 (10 mg/kg body weight, i.p.) and the CPP assay was performed 5 h after this injection under the fasting condition (n=10 mice for both the Vehicle- and ACY775-treated groups). Measurements were made of the total distance that the mice traveled during the CPP test, the average velocity of movement during the assay, the total time the mice spent in the dark chamber during the test; the frequency with which the mice traveled to the dark chamber during the test; the total time the mice spent in the food-paired white chamber; the frequency with which the mice traveled to the food paired white chamber; the total time the mice spent in the food-containing zone within the food-paired side chamber; and the frequency with which the mice traveled to the food-containing zone within the food-paired side chamber during the test.
12236	1	Human GPR35a Isoform Binding Assay	Overexpression of Human GPR35a Baculovirus in HEK293f cells at a cell density of 2.5 106 cells/mL and a multiplicity of infection of 2.5 over 24 h in Pro293 (Lonza)+5% FBS, 1% Glutamax and 0.4% Pen/Strep. Cells harvested and centrifuged at 2500 RPM for 10 mins at 4 C. The supernatant was then poured off and the pellet stored at +-80 C. The pellet was defrosted and re-suspended in 15 mL of homogenising buffer (20 mM HEPES, 10 mM EDTA, pH 7.4). Then homogenised in mechanical homogeniser (VMR) for 10 seconds. The membrane was centrifuged in centrifuge tubes at 40,000 g for 15 mins at 4 C. The supernatant was poured away and re-suspended in 15 mL of homogenising buffer. Homogenised for 20 seconds. The membrane was centrifuged at 40,000 g for 45 mins at 4 C. The membrane was re-suspended in 3 mL of storage buffer (20 mM HEPES, 0.1 mM EDTA, pH 7.4) mixing well. The resulting membranes were then stored at +-80 . GPR35 cell membrane homogenates were re-suspended in the binding buffer (50 mM TRIS+10 mM MgCl2 pH 7.4) to a final assay concentration of 5 ug/well. Test compounds were diluted in dimethylsulphoxide (DMSO (Sigma Aldrich, UK)), to form a 10 point log concentration curve. Test compounds were added per plate, followed by 7 nM 3H-27966. 0.1 uM FAC Lodoxamide was added in order to allow non-specific binding to be calculated. Finally, membrane was added to each well on the plate. After 60 min incubation at room temperature, membranes were filtered onto a unifilter, 96-well white microplate with bonded GF/B filter, pre-soaked in ddH20, with a TomTec cell harvester, and washed 5 times with distilled water. Plates were dried prior to 50 ul/well scintillant added, sealed and radioactivity measured using a MicroBeta analyser. IC50 values were derived from the inhibition curve and affinity constant (Ki) values were calculated using the Cheng-Prussoff equation, where; pKi=+-log 10 Ki.
12237	1	Radioligand-Receptor Binding Assay	Dopamine D3 Receptor: Experimental buffer: 50 mM Tris-HCl pH 7.4, 10 mm MgCl2; washing liquor: 50 mM Tris-HCl pH 7.4, stored at 4° C.; 0.5% PEI solution: 0.5 g PEI dissolved in 100 mL ddH2O, 4° C. storage of spare.5 &#956;L of the test compounds (0.005 nM to 100 nM, 10 concentrations in total) and 100 &#956;L of buffer were added to a 96-well assay plate. 1 &#956;L of cell membrane and 300 &#956;L of buffer were added to each well, and the plate was shaken at 600 rpm for 5 minutes. 100 &#956;L of a mixed solution of buffer and [3H]-methylspiperone (final concentration of 0.5 nM) was added to the reaction system per well, and the plate was shaken at 600 rpm for 5 minutes and incubated at 27° C. for 30 min. The UNIFILTER-96 GF/B filter plate pre-incubated with 0.5% PEI for 1 h was washed twice with the buffer (1 mL/well). The cell membrane suspension was added to the UNIFILTER-96 GF/B filter plate, washed 4 times, and incubated at 55° C. for 10 min. 40 &#956;L of ULTIMA GOLD was added to each well, and liquid scintillation counting was carried out.
12237	2	Determination of the Binding Ability of the Compounds of the Present Invention to 5-HT2A Receptor	5-HT2A Receptor: Experimental buffer: 50 mM Tris-HCl pH 7.4, 4 mM CaCl2); washing liquor: 50 mM Tris-HCl pH 7.4, stored at 4° C.; 0.5% PEI solution: 0.5 g PEI dissolved in 100 mL ddH2O, 4° C. storage of spare.5 &#956;L of the test compounds (0.005 nM to 100 nM, 10 concentrations in total) and 100 L of buffer were added to a 96-well assay plate. 1.5 &#956;L of cell membrane and 300 &#956;L of buffer were added to each well, and the plate was shaken at 600 rpm for 5 minutes. 100 &#956;L of a mixed solution of buffer and [3H]-Ketanserin (final concentration of 2 nM) was added to the reaction system per well, and the plate was shaken at 600 rpm for 5 minutes and incubated at 27° C. for 30 min. The UNIFILTER-96 GF/B filter plate pre-incubated with 0.5% PEI for 1 h was washed twice with the buffer (1 mL/well). The cell membrane suspension was added to the UNIFILTER-96 GF/B filter plate, washed 4 times, and incubated at 55° C. for 10 min. 40 &#956;L of ULTIMA GOLD was added to each well, and liquid scintillation counting was carried out.
12238	1	DGAT2 Enzymatic Activity Assay	DGAT2 activity was determined by measuring the amount of enzymatic product 13C18-triolein (13C-1,2,3-Tri(cis-9-octadecenoyl)glycerol) using the membrane prep mentioned above. The assay was carried out in ABgene 384-well assay plates in a final volume of 25 uL at rt. The assay mixture contained the following: assay buffer (100 mM Tris Cl, pH 7.0, 20 mM MgCl2, 5% ethanol), 25 uM of diolein, 5 uM of 13C oleoyl-CoA and 8 ng/uL of DGAT2 membrane.
12240	1	SHP2 Allosteric Inhibition Assay	More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 25 &#956;L and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% P-20, 5 mM DTT.The inhibition of SHP2 (concentrations varying from 0.003-100 &#956;M) was monitored using an assay in which 0.5 nM of SHP2 was incubated with of 0.5 &#956;M of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide (SEQ ID NO: 1)). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567) was added to the reaction and incubated at 25° C. for 30 minutes. The reaction was then quenched by the addition of 5 &#956;L of a 160 &#956;M solution of bpV(Phen) (Enzo Life Sciences cat #ALX-270-204). The fluorescence signal was monitored using a microplate reader (Envision, Perki-Elmer) using excitation and emission wavelengths of 340 nm and 450 nm, respectively. The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization. 
12241	1	AlphaScreen Binding Assay	This assay can be used to examine the potency with which compounds inhibit the protein-protein interaction between SOS1 and KRAS G12D. This demonstrates the molecular mode of action of compounds. Low IC50 values are indicative of high potency of the SOS1 inhibitor compound in this assay setting:Reagents:GST-tagged SOS1 (564_1049_GST_TEV_ECO) produced in-houseGST-TEV-SOS1 (564-1049) is purchased from Viva Biotech Ltd.6 His-Tev-K-RasG12D(1-169)Avi is purchased from Xtal BioStructures, Inc. (Lot #X129-110)GDP (Sigma Cat No G7127)AlphaLISA Glutathione Acceptor Beads (PerkinElmer, Cat No AL109)AlphaScreen Streptavidin Donor Beads (PerkinElmer Cat No 6760002)Assay plates: Proxiplate-384 PLUS, white (PerkinElmer, Cat No 6008289)Assay Buffer:1 PBS0.1% BSA100 uM EDTA or without EDTA (IC50s in the tables are measured without EDTA unless they are marked with an asterisk)0.05% Tween 20KRAS SOS1 GDP Mix:10 nM (final assay concentration) KRAS G12D, 10 uM (final assay concentration) GDP and 5 nM (final assay concentration) GST-SOS1 are mixed in assay buffer prior to use and kept at room temperature.
12242	1	Radioligand Binding Assay, Dopamine, D2S	Receptor Source: Human recombinant D2S expressed mammalian cellsRadioligand: [3H]Spiperone (20-60 Ci/mmol) or [3H]-7-hydroxy DPAT, 1.0 nMControl Compound: Haloperidol or ChlorpromazineIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 120 mM NaCl, 5 mM KCl, 5 mM MgCl2, 1 mM EDTA for 60 minutes at 25 C. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned dopamine-D2 short binding site.
12242	2	Radioligand Binding Assay, 5HT1A	Materials and Methods:Receptor Source: Human recombinant 5-HT1A expressed mammalian cellsRadioligand: [3H]-8-OH-DPAT (221 Ci/mmol)Control Compound: 8-OH-DPATIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 10 mM MgSO4, 0.5 mM EDTA and 0.1% Ascorbic acid at room temperature for 1 hour. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned serotonin-5HT1A binding site.
12242	3	Radioligand Binding Assay, 5HT2A	Materials and Methods:Receptor Source: Human Cortex or Human recombinant 5-HT2A expressed mammalian cellsRadioligand: [3H]-Ketanserin (60-90 Ci/mmol)Control Compound: KetanserinIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.6) at room temperature for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the serotonin-5HT2A binding site.
12242	4	Radioligand Binding Assay, 5HT2B	Materials and Methods:Receptor Source: Human recombinant 5-HT2B expressed CHO-K1 cellsRadioligand: 1.20 nM [3H] Lysergic acid diethylamide (LSD)Control Compound: KetanserinIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.6) at room temperature for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the serotonin-5HT2B binding site.
12242	5	Radioligand Binding Assay, 5HT6	Materials and Methods:Receptor Source: Human recombinant 5-HT6 expressed mammalian cellsRadioligand: [125I] SB258585, 15 nM or [3H]LSD, 2 nMControl Compound: Methiothepin or serotoninIncubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.4) containing 10 mM MgSO4, 0.5 mM EDTA and 0.1% Ascorbic acid at room temperature for 1 hour. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the cloned serotonin-5HT6 binding site.
12242	6	Radioligand Binding Assay, 5HT7	Materials and Methods: Receptor Source: Human recombinant 5-HT7 expressed CHO cells Radioligand: [3H] Lysergic acid diethylamide (LSD), 4 nM Control Compound: Serotonin Incubation Conditions: The reactions were carried out in 50 mM TRIS-HCl (pH 7.6) at room temperature for 90 minutes. The reaction was terminated by rapid vacuum filtration onto glass fiber filters. Radioactivity trapped onto the filters was determined and compared to control values in order to ascertain any interactions of test compounds with the serotonin-5HT7 binding site.
12243	1	Competitive Radiometric Binding Assay	Binding affinities were also determined by a competitive radiometric binding assay using 2 nM [3H]estradiol as tracer (PerkinElmer, Waltham, MA) and full-length purified human ER&#945; (Pan Vera/Invitrogen, Carlsbad, CA), as reported previously. The RBA values were calculated using the following equation: IC50 estradiol/IC50 compound×100.
12244	1	Aldh1a2 Enzyme Inhibition Assay	Recombinant protein extraction: pET-Aldh1a2 transformed BL21-DE3 cultures induced at 20° C. for 19 h with 0.3 mM IPTG rocking. Cultures were spun at 3500 g for 10 min, supernatants were poured off and allowed to drain fully. Cells were resuspended in 10 mM HEPES pH 7.4, 10 mM KCl. Cells were freeze-thawed in liquid nitrogen and then a 37° C. water bath for 10 cycles followed by ultrasonication at 50% amplitude, 3 sec on, 9 sec off for 10 cycles at 4° C. Cell extracts were spun at 16000×g for 5 minutes.Reaction performed at 20° C. in reaction buffer (10 mM HEPES pH 7.4, 10 mM KCl, 0.1 M Resazurin, 1 mg/mL BSA, 200 uM NAD+, diaphorase and aldehyde substrate). Recombinant enzyme and inhibitor added immediately before assay. Reaction rate measured by resorufin fluorescence.
12245	1	In Vitro Receptor Binding Activity of Human Toll-Like Receptor 7 (TLR7) and Human Toll-Like Receptor 8 (TLR8)	The experimental procedures are as follows:1. Compound was added to a cell plate in a 3-fold gradient, with the final concentrations being 5000 nM, 1667 nM, 556 nM, 185 nM, 62 nM, 21 nM, 6.9 nM, 2.3 nM, 0.76 nM and 0.25 nM respectively, and two duplicate wells were provided for each concentration. 1 uL of DMSO was added to each negative control well.2. The cells cultured in a T150 flask were taken out from a CO2 incubator, and the cell culture supernatant was discarded. The resulting cells were washed once with Dulbecco&#39;s phosphate buffered saline (DPBS). The flask was added with about 10 mL of the culture medium, and tapped to detach the cells. The resulting cell mass was gently pipetted evenly. The cells were counted and the cell suspension was adjusted to 500,000 cells/mL with the culture medium. Then 100 uL of diluted cells (50,000 cells/well) were added to each well of a 96-well plate containing the compound.3. The compound and cells were incubated in an incubator at 37 C., 5% CO2 for 24 hours.4. Activity assay on the compound: 20 uL of the induced cell supernatant from each well was added to a cell culture plate containing 180 uL of QUANTI-Blue reagent, and after incubation at 37 C. for 1 hour, the optical density absorbance at 650 nm (OD650) was assayed for each well using a multi-functional microplate reader.5. Activity assay on the cells: luciferase signal (RLU) was detected using a multi-functional microplate reader as per the process described in the instructions of ATPlite 1 Step.6. Data analysis: compound activity: OD650 values were analyzed using a GraphPad Prism software and the dose-response curves of the compound were fitted to calculate EC50 values (half maximal effect concentration) for the compound.
12246	1	HTRF Assay	PI3-Kinase (human) HTRF Assay kit was used to detect the inhibition rate of the 6 compounds on PI3K-alpha enzyme at different concentrations, with the concentration of DMSO controlled to 1%, double holes for each concentration, and selecting GDC-0941 as a positive reference substance.
12247	1	Nucleotide Exchange Assay (NEA)-HTRF Assay for KRas G12C	The effects of compounds on SOS1 catalyzed displacement of GDP by GTP on KRas proteins was examined by homogeneous time-resolved fluorescence (HTRF). 30 &#956;M 6×his labeled KRas G12C recombinant protein and 80 &#956;M fluorochrome DY647 labeled GDP were co-incubated in a labeling buffer (1 mM DTT, 7.5 mM EDTA, 25 mM Tris-HCl, 45 mM NaCl) at 20° C. away from light for 2 hours. Protein quantification was performed after purification on the NAP-5 column to determine the concentration of KRas G12C-GDP.1000× stock solutions of compounds at a concentration gradient of 3.16 were prepared by using DMSO, and diluted 250 times by a reaction buffer (40 mM N-2-hydroxyethylpiperazine-N-2-ethane sulfonic acid (HEPES), 10 mM MgCl2, 1 mM DTT, 0.002% Triton X-100) into 4× stock solutions of compounds. KRas G12C-GDP/Tb working solution (40 nM KRas G12C-GDP, 1×anti-his Tb) and SOS1/GTP working solution (0.2 &#956;M SOS1, 200 &#956;M GTP) were prepared by using the reaction buffer.5 &#956;l of 4×stock solution of a compound and 10 &#956;l of KRas G12C-GDP/T working solution were added to each well of 96-well plate with white unclear bottom, and 5 &#956;l of reaction buffer was added to the well of control group in stead of the 4×stock solution of a compound. After incubation at 20° C. away from light for 15 minutes, 5 &#956;l of SOS1/GTP working solution was added and incubated at 20° C. away from light for 2 hours, and then a value of fluorescence intensity was read (excitation wavelength: 320 nm, and emission wavelengths: 615 nm and 665 nm). Besides, group TO was established with 10 &#956;l of the reaction buffer and 10 &#956;l of the KRas G12C-GDP/Tb working solution, and the value of fluorescence intensity was directly read. 
12248	1	Activity Test of Inhibition of Aminopeptidase N of Target Compound In Vitro	Aminopeptidase N interacts with its commercial substrate L-leucyl p-nitroaniline (purchased from Sigma) to produce p-nitroaniline that is absorbed at 405 nm, and the concentration of p-nitroaniline is positively correlated to the enzyme activity. Measure the absorbance at 405 nm, and calculate the inhibition rate based on the absorbance of the inhibitor group and the control group, and calculate the IC50 value.
12249	1	In Vitro Binding Assay	In vitro binding assay performed at Eurofins Panlabs Taiwan, ltd.  Specific ligand binding was determined in the presence of an excess of unlabelled ligand.  Inhibition constants (Ki) were calculated from in vitro binding assays using the Cheng Prusoff equation.
12250	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay	To an untreated, white 384-well microtiter plate was added 40 nL 200 test compound in DMSO and 4 uL 2 terbium chelate-labeled menin (vide infra for preparation) in assay buffer (40 mM Tris HCl, pH 7.5, 50 mM NaCl, 1 mM DTT (dithiothreitol) and 0.05% Pluronic F-127). After incubation of test compound and terbium chelate-labeled menin for 30 min at ambient temperature, 4 uL 2 FITC-MBM1 peptide (FITC-beta-alanine-SARWRFPARPGT-NH2) ( FITC means fluorescein isothiocyanate) in assay buffer was added, the microtiter plate centrifuged at 1000 rpm for 1 min and the assay mixtures incubated for 15 min at ambient temperature. The relative amount of menin.FITC-MBM1 complex present in an assay mixture is determined by measuring the homogenous time-resolved fluorescence (HTRF) of the terbium/FITC donor/acceptor fluorophore pair using an EnVision microplate reader (ex. 337 nm/terbium em. 490 nm/FITC em. 520 nm) at ambient temperature. The degree of fluorescence resonance energy transfer (the HTRF value) is expressed as the ratio of the fluorescence emission intensities of the FITC and terbium fluorophores (Fem 520 nm/Fem 490 nm). The final concentrations of reagents in the binding assay are 200 pM terbium chelate-labeled menin, 75 nM FITC-MBM1 peptide and 0.5% DMSO in assay buffer. Dose-response titrations of test compounds are conducted using an 11 point, four-fold serial dilution scheme, starting typically at 10 uM.
12251	1	Biochemical Assay	In our experiments, bovine skinned cardiac myofibrils were isolated from the frozen bovine left ventricle as myosin&#39;s source in the ATPase assay. The calcium concentration that achieves a 50% (pCa50 or pCa=6.25) activation of the myofibril system was chosen as the final condition for assessing the activation activity according to the literature (DOI: 10.1074/jbc.M117.776815). Myofibrils ATPase activity was measured in a buffered solution containing 12 mM PIPES (piperazine-N, N&#8242;-bis(2-ethane sulfonic acid) and 2 mM magnesium chloride at pH 6.8 (PM12 buffer). Final assay conditions were 1 mg/mL of bovine cardiac myofibrils, 1:20 of stock PK/LDH (Sigma-Aldrich, Cat No. P0294-5X5ML), 50 &#956;M ATP, 1 mM DTT (dithiothreitol), 0.75 mM NADH, 1.5 mM PEP at pCa50 (pCa=6.25). Compounds were dissolved in DMSO (dimethyl sulfoxide). Serial dilution of compounds was created such that the final desired concentration of compound would be achieved in a volume of 150 &#956;L with a fixed DMSO concentration of 2% (v/v). 75 &#956;L of a solution containing bovine cardiac myofibrils, PK/LDH, and calcium were added to a 96 well plate for a 7 point dose-response. In some circumstances, 10 point-response was used to repeat the ATPase assays on compounds of interest. Compounds were added to the myofibrils solution and incubated for 5 minutes. The enzymatic reaction was started with the addition of 75 &#956;L of a solution containing ATP, PEP, NADH, compounds, and calcium. The ATPase activity was measured by reading absorbance at 340 nm in a PerkinElmer Victor Nivo plate reader at 25° C. in kinetic mode for 15 minutes using clear bottom plates. The slopes of the absorbance changes as a function of time for the first 10 minutes were normalized to slopes on the control wells containing all reagents, including DMSO, but without compounds.
12252	1	Inhibitory Activity Assay	The inhibitory activities of the compounds of the present invention against GCS were evaluated, as follows, according to the method described in the known literature (Hayashi Y et al., A sensitive and reproducible assay to measure the activity of glucosylceramide synthase and lactosylceramide synthase using HPLC and fluorescent substrates, Analytical Biochemistry 345 (2005) 181-186). Ibiglustat, known as a GCS inhibitor, was used as a control.
12253	1	Inhibitory Effect of Compounds Disclosed Herein on ATR Enzyme	The following method was used to determine the inhibitory effect of the compounds disclosed herein on ATR enzyme. The experimental method was briefly described as follows:I. Experimental Materials and Instruments1. ATR enzyme (Eurofins Pharma Discovery Services, 14-953-M)2. GST-tag P53 protein (Eurofins Pharma Discovery Services, 14-952-M)3. 384-well plate (Thermo Scientific, 267462)4. U-shaped bottom 96-well plate (Corning, 3795)5. MAb Anti-phospho p53-Eu cryptate (Cisbio, 61P08KAE)6. MAb Anti GST-d2 (Cisbio, 61GSTDLF)7. ATP solution (Promega, V916B)8. EDTA (Thermo Scientific, AM9260G)9. HEPES (Gibco, 15630-080)10. Microplate reader (BMG, PHERAsta)II. Experimental Procedures1 nM ATR enzyme, 50 nM P53 protein, 7.435 &#956;M ATP and small molecule compounds of different concentrations (serially 3-fold diluted from 1 &#956;M to the 11th concentration) were mixed and incubated at room temperature for 2 h. A terminating buffer (12.5 mM HEPES, 250 mM EDTA) was added. The mixture was well mixed before 0.42 ng/well of mAb anti-phospho p53-Eu cryptate and 25 ng/well of mAb anti GST-d2 were added. The mixture was incubated overnight at room temperature, and the fluorescence signals at 620 nm and 665 nm were detected using a PHERAstar system. Data were processed using GraphPad software.
12254	1	Biochemical Phospho c-Kit Inhibition Assay	For the PathScan phospho c-kit (Tyr719) sandwich ELISA: M-07e cells were resuspended at 2×106 cells/mL in phenol red free, serum-free, GM-CSF-free Iscove&#39;s Modified Dulbecco&#39;s Medium (IMDM) media with 1% Penicillin-Streptomycin. The cells were then dispensed into the wells of a U-bottom, 96-well plate at 50 uL per well using a multichannel pipet. The plate was allowed to incubate at 37° C. in a humidified tissue culture incubator for 4 hours.After 4 hours of incubation, each well was dosed with 6.25 uL of test compound at a final DMSO concentration of 0.25% for 60 min at 37° C. to generate an 8-point dose concentration series of test compounds in duplicate. Cells were then incubated for 1 hour at 37° C. in a humidified tissue culture incubator. Next, human SCF at 500 ng/mL was added to the appropriate wells at 6.25 uL/well and the plate was shaken at 450 rpm at room temperature for 10 minutes. AlphaLISA 5× Lysis Buffer supplemented with 1× protease and phosphatase inhibitor was then added at 16 uL/well. The plate was sealed with an adherent cover and shaken at 4° C. at 600 rpm for 30 minutes. After this period of lysis, the plate was stored at &#8722;80° C. When the 96-well plate containing M07e lysates was ready to be processed, the plate was brought to room temperature and 40 &#956;l from each well was transferred to the wells of a PathScan Phospho-c-Kit (Tyr719) Sandwich ELISA plate (CST, Catalog #7298). The ELISA plate was sealed with an adherent cover and incubated for 2 hours at 37° C. Next, the wells were washed 4 times with the provided 1× Wash Buffer, and 100 uL/well of reconstituted Detection Antibody was added to each well, the plate sealed with an adherent cover, and incubated at 37° C. for 1 hour. The wash procedure was repeated and 100 uL/well of reconstituted HRP-Linked secondary antibody was added. The plate was sealed with an adherent cover and incubated at 37° C. for 1 hour. The wash procedure was repeated and 100 uL/well of TMB Substrate was added. The plate was incubated for 10 minutes at room temperature or until the positive reaction elicited a blue color in the appropriate wells. 100 uL/well of STOP solution was added and shaken gently for a few seconds a microplate reader or conventional spectrophotometer e.g., a Perkin Elmer Envision multimode plate reader, part #2105-0010.
12255	2	MTase-Glo Methyl Transferase Assay	Table 1: The PRMT5 inhibitory activity of test compounds was determined using the MTase-Glo&#153; assay (Promega), which monitors the product (S-adenosyl homocysteine or SAH) of methyltransferase reactions. The PRMT5 MTase-Glo assays were conducted in a 384-well white ProxiPlate (PerkinElmer, catalog no.: 6008280) in a total volume of 12 &#956;L. The PRMT5 enzymatic reaction (in 4 &#956;L) contained 50 nM PRMT5/MEP50 (Reaction Biology Corp, catalog no.: HMT-22-148), 25 &#956;M S-adenosyl methionine (SAM, Promega), 5 &#956;M Histone H4 peptide (1-21) (BPS Bioscience, catalog no.: 52018-2) and five-fold serially diluted compounds in a reaction buffer of 50 mM Tris (pH 8.0), 50 mM NaCl, 0.01% Tween 20, 0.01% BSA, and 1 mM DTT. The test compounds were pre-incubated with PRMT5/MEP50 and Histone H4 peptide for 20 minutes at room temperature before the addition of SAM to initiate the PRMT5 reaction. The reaction was allowed to proceed for 1 hour at 37° C. and was terminated by 2 &#956;L of 3× MTase-Glo&#153; Reagent (Promega) and 150 &#956;M EPZ015666 (Selleck, catalog no.: 1616391-65-1). After a 30-minute incubation at room temperature, 6 &#956;L of MTase-Glo&#153; Detection Solution (Promega) was added and the plate was incubated at room temperature for an additional 30 minutes. The light signal corresponding to the amount of SAH produced by the PRMT5 reaction was subsequently measured using an Envision multimode reader (PerkinElmer). 
12255	1	PRMT5/MEP50 HotSpot Methyltransferase Assay	Table 2: The assay used recombinant full-length histone H2A as the substrate of PRMT5. Enzymatic transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine (3H-SAM) to the histone H2A protein generated a radiolabeled histone H2A by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions were conducted in the presence of 100 nM MTA. Briefly, compounds were solubilized in 100% DMSO at the highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound is 50 &#956;M. Control samples lacking compound, PRTM5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 1 nM PRTM5/MEP50 complex was preincubated with test compound in assay buffer containing 5 &#956;M full-length histone H2A for 15 minutes at room temperature. The enzymatic reaction was initiated by adding 1 &#956;M 3H-SAM (final concentration) and the mixture was incubated at 30° C. for 1 hour. The reaction was stopped and transferred to filter paper for detection. The amount of tritiated H2A in each sample was determined using a scintillation counter.
12256	1	TBD	TBD
12257	1	Intracellular Ca2+ Mobilization Assay (FLIPR)	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, penicillin/streptomycin, 50 &#956;g/ml hygromycin and 15 &#956;g/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).About 24 hrs before an experiment, 5×104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded with 2.5 &#956;M Fluo-4AM in loading buffer (1×HBSS, 20 mM HEPES) for 1 hr at 37° C. and washed five times with loading buffer. The cells were transferred into a Functional Drug Screening System 7000 (Hamamatsu, Paris, France), and 11 half logarithmic serial dilutions of test compound at 37° C. were added and the cells were incubated for 10-30 min. with on-line recording of fluorescence. Following this pre-incubation step, the agonist (2S)-2-amino-4-phosphonobutanoic acid (L-AP4) was added to the cells at a concentration corresponding to EC80 with on-line recording of fluorescence; in order to account for day-to-day variations in the responsiveness of cells, the EC80 of L-AP4 was determined immediately ahead of each experiment by recording of a full dose-response curve of L-AP4.Responses were measured as peak increase in fluorescence minus basal (i.e. fluorescence without addition of L-AP4), normalized to the maximal stimulatory effect obtained with saturating concentrations of L-AP4. Graphs were plotted with the % maximal stimulatory using XLfit, a curve fitting program that iteratively plots the data using Levenburg Marquardt algorithm. The single site competition analysis equation used was y=A+((B-A)/(1+((x/C)D))), where y is the % maximal stimulatory effect, A is the minimum y, B is the maximum y, C is the IC50, x is the log 10 of the concentration of the competing compound and D is the slope of the curve (the Hill Coefficient). From these curves the IC50 (drug concentration at which 50% of the receptor activation achieved from the addition of L-AP4 in the experiment was inhibited), the Hill coefficient as well as the maximal response in % of the maximal stimulatory effect obtained with saturating concentrations of L-AP4 were calculated.
12258	1	Ki Estimation	Ligand binding was measured by fluorescence polarization of a fluorescein isothiocyanate (FITC) labeled probe (as described by Bollini, et al 2002) in conjunction with recombinant full-length FKBP12 and FKBP52. Binding saturation experiments were performed to determine the probe Kd for FKBP12 or FKBP52 using GraphPad software. Ligand displacement from FKBP12 or FKBP52 was measured by fluorescence polarization in the presence of various compound concentrations. IC50 for each compound was determined using GraphPad software. The IC50 value for each compound was used to estimate the Ki using the equations described by Nikolovska-Coleska, et al 2004.
12259	1	Evaluation of Inhibitory Activity of Compounds on KRAS G12C Nucleotide (GDP-GTP) Exchange Reaction	The inhibitory activity of compounds on exchange reaction of GDP into GppNHp in Bodipy (trademark) FL-bound KRAS G12C was examined by fluorescence measurement using human recombinant KRAS G12C and SOS1 proteins.For the preparation of KRAS G12C to which Bodipy FL GDP was bound, first, 50 &#956;My KRAS G12C (amino acid region: 1-169) and 1 mM Bodipy FL GDP (Invitrogen, G22360) were incubated for 1 hour in a buffer (20 mM Tris-HCl (pH 7.5), 50 mM NaCl, 1 mM DTT) in ice in the presence of 2.5 mM EDTA. Thereafter, MgCl2 with a final concentration of 10 mM was added, and the mixture was incubated at room temperature for 30 minutes. The protein was allowed to pass through a NAP-5 column to remove free nucleotides and was used for compound evaluation.For the measurement of the inhibitory activity of compounds on nucleotide exchange reaction, first, the compound of the present invention was diluted stepwise with dimethyl sulfoxide (DMSO). Subsequently, a solution of the gradually diluted compound of the present invention in DMSO (the final concentration of DMSO: 5%) and KRAS G12C (25 nM) bound to Bodipy FL GDP were added to a reaction buffer (20 mM Tris-HCl (pH 7.5), 100 mM NaCl, 1 mM MgCl2, 2 mM DTT, 0.1% Tween20), followed by preincubation at 25° C. for 4 hours. Thereafter, Son of Sevenless Homolog 1 (SOS1, amino acid region: 564-1049) and GppNHp (GMPPNP, Jena Bioscience GmbH, NU-401-50) were added such that their final concentration was 100 nM and 1 &#956;M respectively, followed by reaction for 30 minutes. The change in fluorescence intensity of Bodipy FL (excitation wavelength: 485 nm, fluorescence wavelength: 520 nm) immediately after the start of reaction and after 30 minutes from the start of reaction was standardized. The signal value for only DMSO was determined to be 0% inhibition, and the signal value for no addition of GppNHp was determined to be 100% inhibition. The compound concentration at which 50% inhibition is achieved was determined to be IC50 (nM), and was calculated. The following table shows the inhibitory activity IC50 (nM) of the test compounds.
12260	1	Myofibril Assays	To evaluate the effect of compounds on the ATPase activity of full-length cardiac myosin in the context of the native sarcomere, skinned myofibril assays were performed. Bovine cardiac myofibrils were obtained by homogenizing bovine cardiac left ventricular tissue in the presence of a detergent such as triton X-100. Such treatment removes membranes and a majority of the soluble cytoplasmic proteins but leaves intact the cardiac sarcomeric acto-myosin apparatus. Myofibril preparations retain the ability to hydrolyze ATP in an Ca2+ regulated manner. ATPase activities of such myofibril preparations in the presence and absence of compounds were assayed at Ca2+ concentrations activating to a defined fraction of the maximal rate (i.e., 25%, 75%). Small molecule agents were assessed for their ability to inhibit the steady-state ATPase activity of bovine cardiac myofibrils using pyruvate kinase and lactate dehydrogenase (PK/LDH)-coupled enzyme system. This assay regenerates myosin-produced ADP into ATP by oxidizing NADH, producing an absorbance change at 340 nm. Prior to testing small molecule agents, the bovine cardiac myofibrils were assessed for their calcium responsiveness and the calcium concentration that achieves either a 50% (pCa50) or 75% (pCa75) activation of the myofibril system was chosen as the final condition for assessing the inhibitory activity of the small molecule agents. All enzymatic activity was measured in a buffered solution containing 12 mM PIPES (piperazine-N,N&#8242;-bis(2-ethanesulfonic acid), 2 mM magnesium chloride at pH 6.8 (PM 12 buffer). Final assay conditions were 1 mg/mL of bovine cardiac myofibrils, 4 U/mL pyruvate kinase, 6 U/mL lactate dehydrogenase, 50 &#956;M ATP, 0.1 mg/mL BSA (bovine serum albumin), 10 ppm antifoam, 1 mM DTT, 0.5 mM NADH, 1.5 mM PEP, 0.6 mM EGTA, and an amount of CaCl2) sufficient to achieve either 50% or 75% activation of the myofibril ATPase activity.
12261	1	BTK kinase lanthascreen binding assay	A BTK kinase lanthascreen binding assay monitors compound binding to unphosphorylated-BTK kinase domain (UP-BTK), by competing with a fluorescent labeled tracer. UP-BTK, consisting of the kinase domain of non-phosphorylated BTK protein (389-659aa), was produced in a Baculovirus/insect cell expression system. Into a 384-well plate, 2 ng of GST-tagged human BTK (389-659aa) was incubated with compound, 50 nM of Tracer 236 and 2 nM anti-GST antibody for 60 minutes using an optimized Lanthascreen assay. After 60 minutes, plates were read at 340 nM and 615/665 nM in an Infinite F500 (Tecan). Data were analyzed using Xlfit version 5.3 from ID Business Solutions (Guildford), Microsoft Excel add-in.
12262	1	Cell Viability Test	TNFalpha induced U937 cell programmed necroptosis system was used to screen for compounds with RIP 1 kinase inhibitory activity.
12263	1	Acetyltransferase Biochemical Assay	o determine the inhibition of KAT enzymatic activity by test compounds, assay reactions were conducted in a volume of 8 uL in 384-well low volume assay plates. The reactions were performed in assay buffer (100 mM Tris-HCl, pH7.8, 15 mM NaCl, 1 mM EDTA, 0.01% Tween-20, 1 mM Dithiothreitol and 0.01% m/v chicken egg white albumin). Reactions were set up with 1 uM Acetyl coenzyme A, 100 nM of full-length recombinant histone labelled by limited biotinylation (KAT6A, KAT6B, KAT7: H3.1, KAT5, KAT8: H4), 10/5/8/40/20 nM of KAT5/KAT6A/KAT6B/KAT7/KAT8 enzyme respectively, a an acetyl-lysine specific antibody (H3.1: Cell Signaling Technology, H4: Abcam). 11-point dilution series of the test compounds were prepared in DMSO; a volume of 100 nL was transferred using a pin tool into assay plates containing substrates, before (AcCoA omitted) control reactions were included on the same plates and received the same amount of DMSO as the compound treated wells. After adding all reagents, the plates were sealed with adhesive seals and incubated for 90 min at room temperature. An additional 4 uL of assay buffer containing AlphaScreen Protein A acceptor beads ug/mL was then added. After incubation for 2 hours the plates were read using an EnVision 2103 multi label plate reader (PerkinElmer) in HTS AlphaScreen mode.
12264	1	Inhibition Activity	The inhibitory activity of the compounds were evaluated using KINOMEscan PIP5K2B (also known as PIP4K2B) and KINOMEscan PIP5K2C (also known as PIP4k2C) Assays (Eurofins Discovery) following the manufacturer&#39;s standards. The data shown in Table 1 demonstrate that the inventive compounds tested selectively inhibited PIP4K2C activity.
12265	1	Enzymatic Assay for KpLpxH Inhibition	Briefly, two reaction mixtures were prepared. Mixture 1 contains 20 mM Tris-HCl (pH 8.0), 0.5 mg/mL BSA, 0.02% Triton X-100, 1 mM MnCl2, 1 mM DTT, 10% DMSO, and 200 UM substrate (UDP-DAGn), and mixture 2 is comprised of the same buffer, but instead of substrate, contains both LpxH (20 ng/ml) and 2× inhibitor. These mixtures were then pre-incubated at 37° C. for 10 min. To initiate the reaction, an equal volume of the LpxH mixture (mixture 2) was added to the substrate mixture (mixture 1) at 37° C. The final reaction solution contains 100 &#956;M substrate, 10 ng/ml enzyme, and 1× inhibitor. At the desired reaction time points, an aliquot of 20 &#956;L reaction mixture was removed and added to a well in 96-well half-area plate containing 5 mM EDTA (final concentration) to quench the LpxH reaction. Purified Aquifex aeolicus LpxE was then added to a final concentration of 5 &#956;g/mL. The plate was incubated at 37° C. for 30 min followed by addition of formic acid to a final concentration of 3.75 M to quench the LpxE reaction. The malachite green reagent (Sigma Aldrich, catalog MAK307) was diluted 5-fold into the solutions, and the plate was incubated for 30 min at room temperature before the absorbance at 620 nm was measured. All measurements were done in triplicates, and standard error (S.E.) was calculated.
12266	1	TBD	TBD
12267	1	NMN Fluorescence Biochemical Assay	Compounds described herein were assayed for their ability to stimulate the synthesis of nicotinamide mononucleotide (NMN) by the enzyme NAMPT. The human recombinant enzyme assay measures the activation of the enzyme activity by compounds using recombinant enzyme and substrates in a buffered cell-free system. The assay conditions closely mimic cellular environments. Dose responses were measured using an assay to detect the formation of nicotinamide mono-nucleotide. All experiments were performed in the 384-well format. Generally, 0.5 &#956;L of DMSO containing varying concentrations of the test compound was mixed with 10 &#956;L of the enzyme reagent solution. Enzyme reactions were initiated with the addition of L of a solution containing the substrates. The final assay conditions were as follows: 6 nM human NAMPT, 2.5 mM ATP, 20 &#956;M PRPP and 150 &#956;M nicotinamide in 50 mM HEPES, pH 7.2, 1 mM DTT, 1 mM CHAPS 50 mM NaCl, 100 mM MgCl2. Following an incubation of 60 min at ambient temperature, 10 &#956;L of 20% acetophenone in DMSO was added, followed by 10 &#956;L of 2 M KOH and 40 &#956;L of formic acid. The plates were read for fluorescence (Excitation/Emission=355 nm/460 nm) using an EnVision plate reader after 40 mins of incubation at ambient temperature. The potency measurements for compounds are quantified and represented as AC1.4 (the concentration of compounds that generates 40% higher activity over basal) and EC50 (concentration of the compound that gives half-maximal activation).
12268	1	Binding Assay	The affinity of compounds at GABAA receptor subtypes was measured by competition for [3H]flumazenil (85 Ci/mmol; Roche) binding to HEK293 cells expressing rat (stably transfected) or human (transiently transfected) receptors of composition &#945;1&#946;3&#947;2, &#945;2&#946;3&#947;2, &#945;3&#946;3&#947;2 and &#945;5&#946;3&#947;2.
12269	1	SOS1-KRas(G12C) FRET Assay	Inhibition of the SOS1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Acad Sci USA (2019); 116(7):2551-2560) and recombinant His10-SOS1 (res. 564-1049; purified based on Hillig, et al.). The final assay was performed at 20 uL with 0.5 nM SOS1 protein and 2.5 nM KRAS protein in a buffer of PBS, 0.1% BSA, 5 mM MgCl2, 0.0025% Igepal, 100 mM KF, 5 mM DTT in a white 384 square well OptiPlate (PerkinElmer, Cat. 6007290). A 2× KRAS working solution was prepared in an assay buffer containing 5 nM GST-KRAS G12C and 2 nM anti-GST-Eu(K) (Cisbio, Cat. 61GSTKLA) and pre-incubated for 15 minutes at 25° C. Compounds were serially diluted in 100% DMSO from 2 mM (positive control, compound I-13, PCT Publ. No. WO2018/115380) or 20 mM and then diluted 1:20 in assay buffer before incubation with a solution of SOS1 protein mixed 1:5 with anti-6His-XL665 FRET donor (Cisbio, Cat. 61HISXL) for 15 minutes at 25° C. before addition of 2× KRAS working solution. The final DMSO concentration is 0.5%. Plates were incubated at RT for 2 hrs before the FRET signal was measured using Envision at emission 665 nm and 615 nm.
12269	2	Surface Plasmon Resonance (SPR) SOS1 Binding Assay	Binding to SOS1 was measured using a SPR assay with purified recombinant human SOS1 substrate (res. 564-1049 with N-terminal Avi tag; purified and biotinylated based on Hillig, et al., Proc Natl Acad Sci USA (2019); 116(7):2551-2560). SPR measurements were performed on a Biacore 8K SPR instrument (GE Healthcare, Sweden). Assays were performed at 25° C. using Series S SA sensor chips pre-coated with streptavidin (GE Healthcare, Cat. BR100531). Biotinylated SOS1 diluted in sample buffer (20 mM Tris HCl, 150 mM NaCl, 1 mM DTT, 0.05% TWEEN 20, 1 mM MgCl2, pH 8.0) was captured to one flow cell of the chip to about 3,000 resonance units (RU) using sample buffer supplemented with 5% DMSO as a running buffer. Serial dilutions of the assayed compounds in the running buffer at 100, 50 or 0.5 &#956;M were injected for 60 s at a flow rate of 30 &#956;L/min and association phases were recorded. Dissociation of the samples was monitored for 600 s. Data processing was performed using Biacore Insight Software (Biacore, GE Healthcare). Sensorgrams recorded on a SA flow cell without captured protein were subtracted from sensorgrams recorded on the SOS1 surface. Blank injections of running buffer were used for double referencing and solvent correction was applied to all sample sensorgrams to correct for buffer mismatches.
12270	1	5-HT2 Receptor Assays	Compounds of the present application bind to the 5-HT2 receptor subtypes in the following assays: Compounds of the invention are tested on 5-HT2A and 5-HT2C human recombinant G protein-coupled receptors using a CHO-K1-mt aequorin Galpha16 cell line and IP-One assays (Euroscreen Laboratory, Belgium). Dose-response curves for the test compounds are generated over the concentration range of 0.01 to 20,000 nM to determine effective concentration (EC50), inhibitory concentration (IC50) as seen in Table 2, and relative degree of agonistic and antagonistic response ( relative response ). Compound binding was calculated as a % inhibition of the binding of a radioactively labeled ligand specific for each receptor. Results with inhibition >50% were considered to represent significant effects. In each experiment, the respective reference compound was tested in parallel with the test compounds, and the data were compared with previous values determined at Eurofins.
12271	1	TAK1 Biochemical Assay (100uM ATP)	Assay kits from Promega Corporation V4089 were used according to manufacturer&#39;s instructions and adapted as outlined here. ADP-Glo Kinase Assay kit contains ADP-Glo Reagent, Kinase Detection Reagent, kinase detection buffer, ATP, and ADP. The Kinase Enzyme Systems include human recombinant TAK1-TAB1 Kinase (TAK1 (1-303) and TAB1 (437-end)), Native Swine Myelin Basic Protein (MBP) substrate, 5×kinase reaction buffer, and DTT, 100 uM ATP.
12271	2	TAK1 Biochemical Assay (1mM ATP)	Assay kits from Promega Corporation V4089 were used according to manufacturer&#39;s instructions and adapted as outlined here. ADP-Glo Kinase Assay kit contains ADP-Glo Reagent, Kinase Detection Reagent, kinase detection buffer, ATP, and ADP. The Kinase Enzyme Systems include human recombinant TAK1-TAB1 Kinase (TAK1 (1-303) and TAB1 (437-end)), Native Swine Myelin Basic Protein (MBP) substrate, 5×kinase reaction buffer, and DTT, 1mM ATP.
12272	1	Inhibition of the Kinesin Spindle Protein KSP/Eg5	The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM with microtubuli (bovine or porcine, tebu-bio/Cytoskeleton Inc) stabilized with 50 &#956;g/ml taxol (Sigma No. T7191-5MG) for 5 min at RT in 15 mM PIPES, pH 6.8 (5 mM MgCl2 and 10 mM DTT, Sigma). The freshly prepared mixture was aliquoted into a 384 MTP (from Corning). The inhibitors to be examined at concentrations of 1.0×10&#8722;6 M to 1.0×10&#8722;13 M and ATP (final concentration 500 &#956;M, Sigma) were then added. Incubation was at RT for 2 h. ATPase activity was detected by detecting the inorganic phosphate formed using malachite green (Biomol). After addition of the reagent, the assay was incubated at RT for 50 min prior to detection of the absorption at a wavelength of 620 nm. The positive controls used were monastrol (Sigma, M8515-1 mg) and ispinesib (AdooQ Bioscience A10486). The individual data of the dose-activity curve are eight-fold determinations. The IC50 values are means of two independent experiments. The 100% control was the sample which had not been treated with inhibitors.
12273	1	Biochemical Assay	A biochemical assay was adopted using a luminescent HDAC-Glo I/II assay (Promega) and measured the relative activity of HDAC6 and HDAC1 recombinant proteins. Compounds were first incubated in the presence of HDAC6 or HDAC1 separately, followed by addition of the luminescent substrate. The data was acquired using a plate reader and the biochemical IC50 were calculated from the data accordingly.
12274	1	Inhibitory Activity Assay	Briefly, the compounds were diluted at concentrations of 1000, 333, 111, 37.0, 12.3, 4.12, 1.37, 0.457, 0.152, and 0.0495 nM, respectively, and then a peptide/kinase mixture (final 7.07-28.3 ng p38 alpha, 2 &#956;M serine/threonine 15, 50 mM HEPES pH 7.0, 0.01% NaN3) and ATP solution were added respectively. After reacting at room temperature for 1 hour, a development reagent was added, followed by a reaction again at room temperature for 1 hour. Kinase inhibitory ability was identified at wavelengths of 445 nm and 520 nm.
12275	1	Inhibitory Activity Assay	The compound of the present invention and the control compound were dissolved in the assay buffer (50 mM Hepes pH 7.5, 50 mM NaCl, 30 mM MgCl2, 1 mM DTT, 0.02% CHAPS, 0.5 mg/mL BSA), and diluted in a ratio of 1:1.5 using a 22-point titration (high concentration 2 &#956;M), and then added to a 384-well plate. Each concentration of inhibitor (3.5 &#956;L) and 3.5 &#956;L of human RIP kinase (25 nM) dissolved in the assay buffer were added to the wells. After warming at 37° C. for 1 h, 3.5 &#956;L of ATP (15 &#956;M to 1.5 mM) in buffer was added to initiate the reaction, and then allowed to react at room temperature for 5 h. After completion of the reaction, 5 &#956;L of ADP-Glo reagent containing 0.02% CHAPS was added to each well and incubated at room temperature for 1 h to terminate the kinase reaction and use up all remaining ATP. Then, 5 &#956;L of ADP-Glo detection solution containing 0.02% CHAPS was added to each well and incubated at room temperature for 30 min to measure the emittance intensity. 
12276	1	FRET Displacement Assay 	The CDK19/CDK8 IC50 values were measured to evaluate activity and to determine CDK19/CDK8 selectivity. The IC50 values of the disclosed compounds was measured using a LanthaScreen europium kinase binding assay (ThermoFisher), as described herein. To a kinase buffer cocktail solution (e.g., 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35) was added: purified recombinant his-tagged CDK19/CycC protein (5 nM), ATP-competitive kinase inhibitor scaffold kinase tracer Alexa Fluor 665 (10 nM), biotin anti-his tag antibody (2 nM), LanthaScreen europium-streptavidin (2 nM). An aliquot of the cocktail solution (10 uL) was added to each well of a LUMITRAC 200: 384 flat bottom, non-treated microtiter white plate. The plate was then covered to protect light sensitive reagents and incubated for 30 min at room temperature to equilibrate before addition of any inhibitors.
12277	1	RadioligandBinding Assay	Radioligand binding assays were carried out in a volume of 200 &#956;L (96-well plates) which contained 100 &#956;L of cell membranes, [3H]RO7239181 at a concentration of 1.5 nM (&#945;5&#946;2&#947;1) or 20-30 nM (&#945;1&#946;2&#947;1, &#945;2&#946;2&#947;1) and the test compound in the range of [0.3-10000]=10&#8722;9 M. Nonspecific binding was defined by 10×10&#8722;6 (&#945;5&#946;2&#947;1) and 30×10&#8722;6 M RO7239181 and typically represented less than 5% (&#945;5&#946;2&#947;1) and less than 20% (&#946;1&#946;2&#947;1, &#945;2&#946;2&#947;1) of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and then, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filters preincubated 20-50 minutes in 0.3% Polyethylenimine) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with cold Potassium Phosphate 10 mM pH 7.4, KCl 100 mM binding buffer. After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
12278	1	Biochemical DGK IC50 Assays	The inhibition activities testing for the compound disclosed herein were carried out at room temperature in assay buffer containing 50 mM HEPES, 10 mM MgCl2, 0.01% BSA, 0.1 mM Na3 VO4, 0.005% Tween-20 and 0.01 mM CaCl2. Compounds in DMSO were dispensed into wells of a black 384 well plate (Corning 4514) using D300e digital dispenser (Tecan). The ranges of compounds final concentration were 1.55 10000 nM or 23.3 150000 nM. 3 &#956;L 2× enzyme solution was added to wells. After incubation for 1 hour, 3 &#956;L 2× substates solution containing 160 &#956;M DAG and 280 &#956;M ATP was added to the wells to initiate reaction. After 1 hour reaction, 5 &#956;L ADP-Glo reagent (Promga V9101) was added and incubated for 40 minutes. 10 &#956;L Kinase Detection reagent was added and incubated for 30 minutes. Luminescence was measured on a microplate reader (PHERAstar FSX, BMG labtech). The IC50s are calculated based on inhibition of enzyme activity in the presence of increasing concentrations of compounds. Selected compounds had no inhibitory activity on DGK&#948;.
12279	1	Phosphatase Activity Inhibition Assay (Determination of IC50)	(a) The positive control SHP099 was prepared according to the reported literature (J Med Chem 2016, 59 (17), 7773-82); and the positive control TNO155 was prepared according to the reported literature.(b) 6,8-difluoro-4-methylumbelliferyl phosphate (DiFMUP) was used as the reaction substrate, and a solution of full-length SHP2 (Metl-Arg 593) (diluted to 0.5 nM in the reaction solution) and the peptide H2N-LN(PY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide were incubated together in the reaction solution (60 mM 3,3-4-(2-hydroxyethyl)-1-piperazinethanesulfonic acid (HEPES), pH=7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 0.05% Tween-20, 5 mM dithiothreitol (DTT)) for 30 to 60 minutes to activate the SHP2, and DMSO (1% (V/V) or the compound (10 &#956;M to 0.1 nM) was added to the mixture, and the incubation continued at room temperature for 20 minutes. DiFMUP (25 &#956;M, the total volume of the reaction solution was 50 &#956;L) was added, and the reaction started. The fluorescence intensity of the reaction solution was detected by using the Envision multifunctional microplate reader (PerkinElmer) (Excitation light 355 nm, emission light 460 nm). Three duplicate wells were set for each dose. The fluorescence value of the control well (DMSO) was set to 100%.
12280	1	KRAS-RAF1 Binding Assay	This experiment is intended to investigate the inhibitory effect of compounds on the binding of KRASG12D mutant protein or KRASWt (wild type) protein to fragments of the RBD region fragment of RAF1 protein. A 500×3-fold gradient concentration stock of compound was prepared using DMSO and diluted 50-fold into a 10× stock of compound using reaction buffer. To the reaction wells of an ELISA plate (ProxiPlate-384-Plates), was first added 3 L of His-KRASG12D protein or KRASwt protein, then added 1 &#956;L of 200 M GTP and incubated for 30 min, then added 2 &#956;L of 10× compound or reaction buffer with 2% DMSO (positive control) and incubated for 30 min, then added 4 &#956;L of GST-RAF1-RBD protein or reaction buffer (negative control) and incubated for 15 min, then added L of Eu-labeled anti-His antibody and XL665-labeled anti-GST antibody mixed well in advance and incubated for 60 min before reading HTRF signal by microplate reader. The inhibition ratio of compounds on KRAS protein (G12D mutant or wild type) and RAF1 binding was calculated IR (%)=(positive control signal-compound well signal)/(positive control signal-negative control signal)×100% and IC50 values were calculated by fitting compound concentrations and corresponding inhibition ratios using the Prism 8 four-parameter method. The results show that compared with KRASwt (wild type) protein, exemplary compounds of the present disclosure have higher inhibition selectivity for the binding of KRASG12D mutant protein to the RBD region fragment of RAF1 protein. 
12281	1	Z&#39;-LYTE Biochemical Assay	The experiment were carried out according to the instructions of the Z&#8242;-LYTE kinase test kit-tyrosine 1 peptide. Reagent preparation: 1.33 kinase buffer: 5 kinase buffer was diluted with water to 1.33 kinase buffer; an enzyme solution: the kinase was dissolved in 1.33 kinase buffer with the final working concentration being 3.32 nM; a short peptide solution: a short peptide stock solution (1 mM dissolved in DMSO) was dissolved in 1.33 kinase buffer with the final working concentration being 2 uM; Z&#8242;-LYTE Tyr01 phosphorylated short peptide solution, 0.6 ul of stock solution (1 mM dissolved in DMSO) was dissolved in 149.4 ul of 1.33 kinase buffer; an ATP solution: an ATP stock solution (10 mM aqueous solution) was dissolved in 1.33 kinase buffer with the final working concentration being 32 uM; a color-developing solution: color-developing solution B was dissolved in color-developing buffer with the final working concentration being 1 color-developing solution; 4 compound preparation: the compound was diluted in 3-fold gradient concentration to finally obtain 4% DMSO aqueous solution containing different concentrations of the compound, with the final working concentration being 3000, 1000, 333.33, 111.11, 37.04, 12.35, 4.12, 1.37 nM, 8 concentration points in total.
12282	1	In Vitro Binding Assay	NAAG hydrolysis was performed essentially as described previously (26)(27) Briefly, LNCaP cell extracts were prepared by sonication in NAALADase buffer (50 mM Tris [pH 7.4] and 0.5% Triton X-100). Cell lysates were incubated with or without inhibitor at 37° C. for 10 min. Following the incubation the radiolabeled substrate N-acetyl-L-aspartyl-L-(3,4-3H)glutamate (NEN Life Science Products, Boston, Mass.) was added to a final concentration of 30 nM at 37° C. for 10-15 min. The reaction was stopped by the addition of an equal volume of ice-cold 100 mM sodium phosphate and 2 mM EDTA. Products were partitioned by AG 1-X8 formate resin (Bio-Rad Laboratories, Hercules, Calif.) anion exchange chromatography, eluted with 1 M sodium formate, and quantified by liquid scintillation counting. Inhibition curves were determined using semi-log plots and IC50 values determined at the concentration at which enzyme activity was inhibited by 50%. Assays were performed in triplicate with the entire inhibition study being repeated at least once to confirm affinity and mode of inhibition.
12282	2	Fluorescence-Based Assay	PSMA activity was also determined using a fluorescence-based assay according to a previously reported procedure. Briefly, lysates of LNCaP cell extracts were incubated with inhibitor in the presence of 4 &#956;M NAAG. The amount of reduced glutamate was measured by incubating with a working solution of the Amplex Red glutamic acid kit (Molecular Probes Inc., Eugene, Oreg., USA). The fluorescence was determined by reading with a VICTOR3V multilabel plate reader (Perkin Elmer Inc., Waltham, Mass., USA) with excitation at 490 nm and emission at 642 nm.
12283	1	Mobility-Shift Assay	1. Buffer configuration: 50 mM HEPES, pH 7.5, 0.00015% Brij-35.2. Compounds were configured in 100% DMSO in a concentration gradient and diluted with buffer to 10% DMSO, and added to 384-well plates. Compounds starting at 500 nM are prepared in 100% DMSO to 25 &#956;M and diluted in a gradient of 10 concentrations, then diluted 10-fold in buffer to make an intermediate dilution of the compound containing 10% DMSO and transferred 5 &#956;l to a 384-well plate.3. The kinase was diluted to optimal concentration with the following buffers: 50 mM HEPES, pH 7.5, 0.00015% Brij-35, 2 mM DTT (final concentration of enzyme reaction: VEGFR-1 (FLT1): 2 nM; VEGFR-2 (KDR): 1.2 nM; VEGFR-3 (FLT4): 1.5 nM; FGFR1: 2 nM); FGFR2: 9 nM; FGFR3: 8 nM; FGFR4: 10 nM; PDGFR&#945;: 3.5 nM; c-MET: 10 nM; RET: 7 nM; EGFR: 6 nM). Transfer 10 &#956;l into a 384-well plate and incubate with the compounds for 10 min.4. The substrate was diluted to the optimum concentration with the following buffer: 50 mM HEPES, pH 7.5, 0.00015% Brij-35. where the final concentration of the reaction was as follows:VEGFR1 (FLT1): 3 &#956;M Peptide30 (5-FAM-KKKKEEIYFFF-CONH2), 278 &#956;M ATP, 10 mM MgCl2;VEGFR2 (KDR): 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 92 &#956;M ATP, 10 mM MgCl2;VEGFR3 (FLT4): 3 &#956;M Peptide30 (5-FAM-KKKKEEIYFFF-CONH2), 84 &#956;M ATP, 10 mM MgCl2;FGFR1: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 250 &#956;M ATP, 10 mM MgCl2;FGFR2: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 1.9 &#956;M ATP, 10 mM MgCl2;FGFR3: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 4.7 &#956;M ATP, 10 mM MgCl2;FGFR4: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 66 &#956;M ATP, 10 mM MgCl2;PDGFR&#945;: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 134 &#956;M ATP, 10 mM MgCl2;RET: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 23 &#956;M ATP, 10 mM MgCl2 C-MET: 3 &#956;M Peptide22(5-FAM-EEPLYWSFPAKKK-CONH2), 26 &#956;M ATP, 10 mM MgCl2;EGFR: 3 &#956;M Peptide22 (5-FAM-EEPLYWSFPAKKK-CONH2), 1 &#956;M ATP, 10 mM MgCl2 were added into 384-well plate for 10 &#956;l each and the reaction was started at 28° C. for 1 hour.5. Read the conversion rate with Caliper Reader and calculate the conversion rate as suppression, formula Percent inhIcition=(max&#8722;conversion)/(max&#8722;min)*100.6. Calculate the IC50 formula Y=Bottom+(Top&#8722;Bottom)/(1+(IC50/X){circumflex over (&#8195;)}HillSlope) by fitting it with XL-fit 5.4.0.8 software.
12284	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 ml for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments. The compounds of formula (I) show an excellent affinity for the CB2 receptor.
12285	1	IRE1&#945; TR-FRET Competition Binding Assay	To determine the affinity of compound binding to the kinase domain of IRE1 alpha, a Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) competition assay was used. A His-tagged IRE1 alpha kinase dead construct containing the kinase and RNase domains (KR, AA G547-L977, D688N) was expressed in Sf9 insect cells. The purified protein (final concentration 0.006 &#956;M micromolar) was pre-incubated with anti-His Europium labeled antibody (Life Technologies PV5596, final concentration 0.002 &#956;M micromolar) for one hour at 4° C. in 1X TR-FRET Assay Buffer (50 mM HEPES, pH 7.5.10 mM MgCl2, 0.083 mM Brij 35, 1 mM DTT, and 0.1% bovine gamma globulin) prior to addition to test compounds. A fluorescent labeled probe based on an ATP competitive inhibitor (Kinase Tracer 236, Life Technologies PV5592) is added to a final concentration of 0.1 &#956;M (micromolar). Reactions were carried out for one hour at room temperature in a final volume of 20 &#956;L (microliter) in 384 well white ProxiPlates (Perkin Elmer 6008289). Binding of the tracer to the IRE1 protein alpha was detected in an Envision instrument (PerkinElmer) equipped with a TRF laser option and a LANCE/Delfia Dual/Bias D400/D630 mirror (Ex 347 nm, 1st Em 665 nm, 2nd Em 615 nm).
12286	1	In Vitro Receptor Binding Activity of Human Toll-Like Receptor 7 (TLR7) and Human Toll-Like Receptor 8 (TLR8)	Experimental Procedures:1. Compound was diluted in 3-fold gradients (10 concentration points in total) and added to the cell plate in duplicate. 1 uL of DMSO was added to each negative control well.2. The cells cultured in a T150 flask were taken out from a CO2 incubator, and the cell culture supernatant was discarded. The resulting cells were washed once with Dulbecco&#39;s phosphate buffered saline (DPBS). The flask was added with about 10 mL of the culture medium, and tapped to detach the cells. The resulting cell mass was gently pipetted evenly. The cells were counted and the cell suspension was adjusted to 500,000 cells/mL with the culture medium. Then 100 uL of diluted cells were added to each well (50,000 cells/well) of a 96-well plate containing the compound.3. The compound and cells were incubated in an incubator at 37 C., 5% CO2 for 24 h.4. Activity assay on the compound: 20 uL of the induced cell supernatant from each well was added to a cell culture plate containing 180 uL of QUANTI-Blue reagent, and after incubation at 37 C. for 1 h, the optical density absorbance at 650 nm (OD650) was assayed for each well using a multi-functional microplate reader.5. Activity assay on the cells: luciferase signal (RLU) was detected using a multi-functional microplate reader as per the process described in the instructions of ATPlite 1Step.6. Data analysis: compound activity: OD650 values were analyzed using GraphPad Prism software and the dose-response curves of the compounds were fitted to calculate EC50 values (half maximal effect concentration) for the compounds.
12287	1	5-HT2A Receptor Binding Assay	ValiScreen Serotonin 5-HT2A (human) cell line (product No: ES-313-C) grown in DMEM/F12 media augmented with 10% FBS, 4 mM GlutaMAX, 0.4 mg/mL Geneticin, 1% Penicillin-Streptomycin were utilized to prepare 5-HT2A membrane fractions. Cells were grown in a 150 mm culture dishes and were harvested at between 70-90% confluency between passages 5-15. Cells were detached and lysed at room temperature with 1 mM HEPES buffer containing 2 mM EDTA at pH 7.4 and homogenized with a hand-held homogenizer. The lysate was then centrifuged (30 minutes at 30,000×G at 4° C.). The resultant pellet was resuspended in a storage buffer (20 mM HEPES, 10 mM MgCl2, 0.1 mM EDTA, pH 7.4 at room temperature) and the suspension frozen and stored at &#8722;80° C. until use. Protein concentration was determined via the Bradford method using Coomassie protein assay reagent (Sigma, USA) with Bovine Serum albumin (Sigma, USA) as standard. Aliquots were resuspended in 10 mM HEPES immediately before the experiment.Suspensions of 10 mM HEPES buffer (pH 7.4 at room temperature) containing 10 &#956;g/mL protein, 1 nM (+)-[3H]-ketanserin (Perkin Elmer NET 1233, unlabeled competitor at various concentrations or 10 &#956;M ketanserin for nonspecific binding in a total volume of 500 &#956;L in a 96 well plate. Plates were then incubated in the dark while mixing on a mechanical rocker for 2 h at 37° C. Each plate also contained a dose response curve for ketanserin as a positive control.Following incubation, membrane fractions were collected by vacuum filtration using a Unifilter-96 Cell Harvester (Perkin Elmer) over presoaked UniFilter-96 GF/C P Microplates (Perkin Elmer) and filters were washed with room temperature 10 mM HEPES buffer (pH 7.4 at room temperature) (3×1 mL). The filter plates were dried overnight in a fume hood and the trapped tritium trapped measured via liquid scintillation counting with MicroScint-O (Perkin Elmer), using a MicroBeta2 Plate Reader with 6-detectors scintillation counter (Perkin Elmer) at 55% efficiency. 
12288	1	IL4I1 Enzymatic Assay	nterleukin 4 inducible protein 1 (IL4I1) is an L-amino oxidase that catalyzes the oxidation of aromatic residues (Phe, Trp and Tyr): L-amino acid+H2O+O2&#8594;2-oxo acid+NH3+H2O2. Equal molar of H2O2 and the corresponding alpha-ketoacid are produced when IL4I1 and substrate are added. In this assay, the hydrogen peroxide generated by IL4I1 are then detected through a coupled reaction with Amplex Red (10-acetyl-3,7-dihydroxyphenoxazine) and Horse Peroxidase (HRP) to produce Resorufin product that could be detected in the form of fluorescence signals. The assessment of the inhibitory effect of small molecules (EC50) on IL4I1 is measured by the effectiveness of the compounds to inhibit the production of H2O2.Using this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution; top compound concentration of 10000 nM) titration curve using the following outlined procedure. To each well of a black flat-bottom Greiner (Cat #781076) 384 well-plate, 25 nL of compound (0.1% DMSO in final assay volume of 25 &#956;L) was dispensed, followed by the addition of 12.5 &#956;L of 1× assay buffer (50 mM Hepes 7.0 and 0.005% Tween20 (Sigma, Cat #P8341; low peroxide grade)) containing 2 nM of recombinant IL4I1 (R&D Systems, Cat #5684-AO-020). Plates were placed in an ambient temperature humidified chamber for a four-hour pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 12.5 &#956;L 1× assay buffer containing 2 mM of each aromatic amino acids (Phe/Tyr/Trp), 0.1 mM Amplex Red and 2 U/mL of HRP. The final reaction in each well of 25 &#956;L consists of 1 nM of IL4I1, 1 mM of each residues (Phe, Tyr and Trp), 0.05 mM Amplex Red and 1 U/mL of HRP. It should be noted that the concentrations of Amplex Red and HRP used here are in excess such that the conversion of H2O2 to Resorufin product occurs instantaneously and non-rate limiting. 
12289	1	In Vitro Evaluation of Bromodomain Inhibitors by Homogeneous Time Resolved Fluorescence	HTRF reagents and buffers were purchased from Cisbio Bioassays. The assay used a terbium (Ill) cryptate donor reagent conjugated to an anti-GST antibody (MAb anti-GST-Tb; GSTTLA), a streptavidin-conjugated acceptor reagent (streptavidin-d2) and Cisbio proprietary buffers (EPlgeneous Binding Domain Diluent and Detection buffer, respectively). GST-tagged bromodomains (BDs) were expressed in E. coli and purified using standard procedures. Incubation of GST-tagged BDs with biotinylated acetylated H4 peptide (H4K5acK8acK12acK16ac, here named H4ac4) brings the donor and acceptor into close proximity and allows for a FRET reaction. GST-tagged proteins in 25 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM DTT were assayed at a final concentration of 5 nM. Biotinylated H4ac4 peptides were used at a final concentration of 50, 600 nM in assays involving Brd4 BD1, Brd4 BD2, respectively. The antibody-conjugated donor was used at 0.5 nM and the streptavidin-conjugated acceptor was used at &#8539; of the H4ac4 peptide concentration. Inhibitors were tested by performing an eleven-point dilution series with a maximal final concentration of 20 mM. These concentrations allowed a fixed DMSO concentration at 0.2%, critical for a Z&#8242; factor &#8805;0.8. Components were incubated at 4° C. for 4 h (BD1) or for 24 h (BD2). Experiments were performed in 384-well white plates (Greiner ref. 781080) and analyzed in a ClarioStar plate reader (BMG LABTECH, excitation at 330 nm and emission at 620 and 665 nm, corresponding to the donor and acceptor emission peaks, respectively; the 665/620 ratio is used to calculate the specific HTRF signal) with an integration delay of 60 &#956;s and an integration time of 400 &#956;s.
12290	1	Bioluminescence Resonance Energy Transfer (BRET)	Cereblon target engagement was monitored by Bioluminescence Resonance Energy Transfer (BRET) in transfected HEK-293T cells using the NanoBRET TE Intracellular E3 Ligase Assay (Promega). Briefly, 384-well plates (white opaque plates, Corning 3574, low binding surface) were seeded with transfected HEK-293T cells (38 ul/well). 2 uL of 10 uM CRBN tracer (diluted 1:5 in Tracer Dilution Buffer) was added to each well. Plates were centrifuged at 320 g for 1 min at room temperature. Test compounds were added in a 11-point dilution series (typically 10 uM to 100 uM) using a TECAN D300e Digital Dispenser. Plates were shaken for 2 minutes on a microplate shaker to mix compounds. Plates were centrifuged at 320 g for 1 min at room temperature, and subsequently incubated for 2 hours at 37 C.After incubation, plates were allowed to cool to room temperature for 15 minutes. 20 uL of 3X Complete NanoBRET Nano-Glo Substrate plus Inhibitor Solution (Promega, 1:166 Substrate and 1:500 dilution of Extracellular NanoLuc Inhibitor diluted in Opti-MEM) were added to each well, Plates were incubated with shaking at room temperature for 3 minutes covered with foil. Plates were read on a CLARIOstar microplate reader (BMG LabTech), measuring at 450 nm (donor emission) and 610 nm (acceptor emission). 
12291	1	Radioligand Competitive Binding Assay	The binding affinities of test compounds were determined by a radioligand competitive binding assay using 177Lu labeled C-1 as the reference radioligand.Briefly, 100 uL HT-29 cells expressing human NTSR-1 at a density of 1 2 106 cells/mL were mixed with binding buffer (RPMI-1640 medium supplemented with 0.25% bovine serum albumin) in each well of the 96-well filter plate (Millipore). Then the cells in each well were incubated with 177Lu C-1 (0.55 uCi/well) and the test compound under 37 C. for 1 hr (n=3). After incubation, unbound 177Lu C-1 and the test compound in each well was removed by filtration using a Multiscreen vacuum manifold (Millipore) and the cells were further rinsed with the binding buffer for 5 times. The cells from each well were then collected and radioactivity of the cells in each well was individually measured by y counter (2480 WIZARD2, PerkinElmer). The best-fit IC50 value of test compounds (inhibitory concentration when 50% of the bound 177Lu C-1 on cells were displaced) were calculated by fitting the data with nonlinear regression using GraphPad Prism 8.0.1.
12292	1	Luminescence-Based ABL Kinase Assay (Km ATP)	Kinase activity of ABL1 was measured using the ADP-Glo system (Promega), which measures formation of ADP using a luminescence-based method. Compounds were serially diluted in DMSO. 20 nL of compound or DMSO only (high control, HC) were added to a 384-well plate (OptiPlate-384, PerkinElmer) using an Echo550 liquid handler (Labcyte). 15 &#956;L of kinase solution (10 mM MgCl2, 0.01% Brij-35, 2 mM DTT, 0.05% BSA, 1 mM EGTA, 50 mM HEPES pH 7.5, and 3.325 nM ABL1 [Carna Biosciences]) were added to each well of the 384-well plate containing the compounds. No enzyme control wells were included (low control, LC). The plate was incubated at room temperature for 30 minutes. 5 &#956;L of a second solution containing 10 mM MgCl2, 0.01% Brij-35, 2 mM DTT, 0.05% BSA, 1 mM EGTA, 50 mM HEPES pH 7.5, 6 &#956;M Peptide 2 (Perkin Elmer, Cat No 760346), and 40 &#956;M ATP were added to each well to start the kinase reaction. The plate was incubated for 90 minutes at room temperature. 20 &#956;L of ADP-Glo reagent (Promega) were then added to each well and the plate was incubated for 40 minutes at room temperature. 40 &#956;L of kinase detection reagent (Promega) was added to each well and the plate was incubated for an additional 45 minutes at room temperature. During this step, ADP was converted to ATP, a substrate for luciferase, to produce luminescence signal. Luminescence was measured on an Envision plate reader (Perkin Elmer). Luminescence signal positively correlates with kinase activity. The percent kinase activity was calculated as follows: percent kinase activity=100×(LumSample&#8722;LumLC)/(LumHC&#8722;LumLC). As noted above, DMSO only and no enzyme wells were used as high and low controls, respectively. IC50 values were calculated using the XLFit software.
12293	1	Evaluation of NLRP3 Inflammasome Inhibitory Activity Assay	The NLRP3 inflammasome inhibitory activity of test compounds were evaluated on the basis of the inhibitory activity of the IL-1&#946; production in THP1-Null cells (Product Number: thp-null, InvivoGen). Cells were maintained for culture in RPMI-1640 media containing 10% (v/v) fetal bovine serum, 25 mmol/L HEPES, 100 U/mL penicillin, 100 &#956;g/mL streptomycin, 100 &#956;g/mL normocin, and 200 &#956;g/mL hygromycin B (set at 37° C., 5% CO2/95% air). Cells were suspended with media for assay containing 0.5 &#956;mol/L PMA (RPMI-1640 media containing 10% (v/v) fetal bovine serum, 100 U/mL penicillin, and 100 &#956;g/mL streptomycin), and the suspended cells were seeded on Corning (registered trademark) 384-well Flat Clear Bottom Black Polystyrene TC-treated Microplates (25,000 cells/25 &#956;L/well), followed by incubation (set at 37° C., 5% CO2/95% air) overnight. The supernatant of the culture was removed, and thereto was added media for assay (25 &#956;L/well) containing 1 &#956;g/mL Lipopolysaccharides (Product Number: L2654, Sigma-Aldrich (registered trademark)). Then, the culture was further incubated for 3 hours (set at 37° C., 5% CO2/95% air). The supernatant of the culture was removed. Then, a vehicle solution prepared from Opti-MEM (trademark) medium (Product Number: 31985-070, Invitrogen) was added to blank-setting wells and control-setting wells (20 &#956;L/well), followed by incubation for 15 minutes (set at 37° C., 5% CO2/95% air). A solution containing a test compound (20 &#956;L/well) was added to test compound-setting wells. Further, Opti-MEM (trademark) medium containing Nigericin (Product Number: N7143, Sigma-Aldrich (registered trademark)) was added to the control-setting wells and test compound-setting wells (5 &#956;L/well), followed by incubation for 1.5 hours (set at 37° C., 5% CO2/95% air). The final concentration of Nigericin was adjusted to be 7.5 &#956;mol/L. 5 &#956;L/well of Opti-MEM (trademark) medium was added to the blank-setting wells. The supernatant of the culture was cryonically stored (set at &#8722;20° C.) until measurement of IL-1&#946;.
12294	1	Radioligand Binding Assay	Radioligand binding assays were carried out in a volume of 200 &#956;L (96-well plates) which contained 100 &#956;L of cell membranes, [3H]RO7239181 at a concentration of 1.5 nM (&#945;5&#946;2&#947;1) or 20-30 nM (&#945;1&#946;2&#947;1, &#945;2&#946;2&#947;1) and the test compound in the range of [0.3-1000]×10&#8722;9 M. Nonspecific binding was defined by 10×10&#8722;6 (&#945;5&#946;2&#947;1) and 30×10&#8722;6 M RO7239181 and typically represented less than 5% (&#945;5&#946;2&#947;1) and less than 20% (&#945;1&#946;2&#947;1, &#945;2&#946;2&#947;1) of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and then, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filters preincubated 20-50 minutes in 0.3% Polyethylenimine) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with cold Potassium Phosphate 10 mM pH 7.4, KCl 100 mM binding buffer. After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
12295	1	In-Vitro Binding to the c-Myc Promoter G-Quadruplex (MycG4)	MycG4 Stabilization Measured by FRET Melting. A F rster Resonance Energy Transfer (FRET)-melting assay was conducted in order to determine whether the 7-aza-8,9-methylenedioxyindenoisoquinoline derivatives can bind and stabilize the c-Myc promoter G-quadruplex (MycG4, FIG. 1 ). MycG4 DNA was labeled with a FRET donor (6-FAM) at the 5&#8242;-end, and a FRET acceptor (TAMRA) at the 3&#8242;-end. Close proximity of the donor and acceptor fluorophores in the G-quadruplex secondary structure quenches the 6-FAM fluorescence due to FRET transfer to TAMRA. Melting of the secondary structure into single-strand DNA decreases the proximity of the FRET-pair, restoring 6-FAM-based fluorescence emission. Monitoring 6-FAM emission upon G-quadruplex thermal denaturation provides a melting curve from which a melting temperature (Tm), the temperature at which folded and unfolded DNA are equally populated, was derived. The Tm values of MycG4 were measured in the presence of the compounds in 10 mM K+ by FRET-melting experiments. All eight of the 7-aza-8,9-methylenedioxyindenoisoquinolines tested showed clear thermal stabilization (&#916;Tm) of the MycG4.
12296	1	Assay on Binding Activities of Compounds of the Present Disclosure for PARP1 and PARP2	In vitro binding activities for PARP1 and PARP2 were tested by the following method.I. Materials and instruments1. PARP1 recombinant protein (Sino Biological, Cat. #11040-H08B);2. PARP2 recombinant protein (BPS, Cat. #80502);3. Fluorescent probe (made in-house using a compound with Cat. #1380359-84-1, Shanghai Hengrui);4. 384-well plate (Corning, 3575);5. Microplate reader PHERAstar FS (BMG Labtech).II. Experimental proceduresTo each well of a 384-well plate was added 8 &#956;L of binding buffer. A fluorescent probe was dissolved in dimethyl sulfoxide, the mixture was diluted to the corresponding concentration, and then the fluorescent probe formulated in dimethyl sulfoxide was 20-fold diluted with the binding buffer (50 mM Tris-HCl pH 8.0, 50 mM NaCl, 1 mM MgCl2, 0.1 mM EDTA, and 0.01% IGEPAL) at 2 &#956;L/well. The test compounds were dissolved in dimethyl sulfoxide and diluted to gradient concentrations as required for the experiment, and the compounds at various concentrations formulated in dimethyl sulfoxide were 20-fold diluted with the binding buffer at 2 &#956;L/well. A PARP1 or PARP2 protein was diluted to the corresponding concentration with the binding buffer, and added to a black 384-well plate at 8 &#956;L/well. The plate was incubated at 25° C. for 40 min after the mixture was uniformly mixed. The signal values were read with the FP program in a microplate reader PHERAstar FS. Data were processed using GraphPad software.In vitro binding activities for PARP1 and PARP2 were tested by the following method.I. Materials and instruments1. PARP1 recombinant protein (Sino Biological, Cat. #11040-H08B);2. PARP2 recombinant protein (BPS, Cat. #80502);3. Fluorescent probe (made in-house using a compound with Cat. #1380359-84-1, Shanghai Hengrui);4. 384-well plate (Corning, 3575);5. Microplate reader PHERAstar FS (BMG Labtech).II. Experimental proceduresTo each well of a 384-well plate was added 8 &#956;L of binding buffer. A fluorescent probe was dissolved in dimethyl sulfoxide, the mixture was diluted to the corresponding concentration, and then the fluorescent probe formulated in dimethyl sulfoxide was 20-fold diluted with the binding buffer (50 mM Tris-HCl pH 8.0, 50 mM NaCl, 1 mM MgCl2, 0.1 mM EDTA, and 0.01% IGEPAL) at 2 &#956;L/well. The test compounds were dissolved in dimethyl sulfoxide and diluted to gradient concentrations as required for the experiment, and the compounds at various concentrations formulated in dimethyl sulfoxide were 20-fold diluted with the binding buffer at 2 &#956;L/well. A PARP1 or PARP2 protein was diluted to the corresponding concentration with the binding buffer, and added to a black 384-well plate at 8 &#956;L/well. The plate was incubated at 25° C. for 40 min after the mixture was uniformly mixed. The signal values were read with the FP program in a microplate reader PHERAstar FS. Data were processed using GraphPad software.
12297	1	Kinase Activity Assay	Inhibitory activities of test compounds against BRAF (Invitrogen, PV3848), cRAF (BPS Bioscience, 40008) and BRAF (V600E) (Invitrogen, 40533) were determined using ADP-GloTM Kinase Assay kit (Promega, V9102).The compounds were 3-fold serially diluted with DMSO (MP, 196055), respectively, each with 10 concentrations. 100 ml of compound diluents and 2.5 &#956;L of BRAF or cRAF or BRAF (V600E) were added to each well of a 384-well plate (Perkin Elmer, 6007290) in duplicate. After incubating at 25° C. for 15 minutes, 2.5 &#956;L of substrate was added to start the reaction. The plate was incubated at 25° C. for 60 minutes. The final reaction concentrations in the system were: 5 nM BRAF or 1.5 nM cRAF or 5 nM BRAF (V600E), 10 mM ATP, 200 nM MEK1, HEPES 50 mM, EGTA 1 mM, MgCl2 10 mM, and Brij35 0.01%. The concentrations of the test compounds were: 300, 100, 33.33, 11.11, 3.7, 1.23, 0.412, 0.137, 0.046, 0.015, 0 nM, and the final concentration of DMSO was 1%. Then 10 &#956;L of ADP Glo reagent was added, and further incubated at 25° C. for 40 minutes. Then 20 &#956;L of detection reagent was added, and further incubated at 25° C. for 40 minutes. The enzyme activity in the presence of the compounds at each concentration was then measured by an Envision microplate reader (Perkin Elmer 2104), and the inhibitory activity of the compounds at each concentration against the enzyme activity was calculated. The inhibitory activities of the compounds at different concentrations against the enzyme activity were then fitted using Graphpad 5.0 software according to the four-parameter equation, and the IC50 values were calculated.
12298	1	In Vitro HDAC Enzyme Inhibition	Purified histone deacetylase enzymes 1, 3, 6, 10 were incubated with fluorescently labeled substrate and test compounds in a standardized reaction mixture in 384 well plates. Upon termination of the reaction, samples were introduced onto microfluidic chips. Samples migrate through channels in the chips and product and substrate are separated based on the difference in their charge and mass (electrophoretic mobility shift). Enzyme activity is measured by direct comparison of the fluorescence in the product and substrate peaks and the results presented in Table 5.
12299	1	VEGF ELISA Assay	The ability of the disclosed compounds to inhibit HIF-2alpha was measured by determining VEGF expression in 786-O cells. About 7500 786-O cells were seeded into each well of a 96-well, white, clear bottom plate (07-200-566, Fisher Scientific) with 200 ul growth medium. Four hours later, compounds were dispensed into wells by Tecan D300e digital dispenser with starting concentration of 10 uM and log of dilution down to 1 nM as final concentration. Each concentration of treatment was performed in duplicate. About 20 hours later, medium was removed and fresh medium was added, followed by compounds treatment as described above. After 24 hours, cell culture medium was collected to determine VEGF concentration using an ELISA kit (R&D systems, cat #DVE00) following the manufacturer&#39;s instruction.
12300	1	Human VAP-1 Enzyme Activity Assay	Amplex Red Monoamine Oxidase Kit (Invitrogen #A12214) was used to determine the inhibitory effects of the sample on VAP-1 enzyme activity. 100 nL Test compound (the solvent was DMSO) that had been gradiently diluted was added to a 384-well plate. 25 uL 10 nM VAP-1 enzyme solution was added, and the solution was incubated at room temperature for 30 minutes. The substrate mixture which had been added with VAP-1 enzyme (200 uM Amplex Red, 1 U/mL HRP, 1 mM Benzylamine) was incubated at room temperature for 60 minutes. After the incubation, the fluorescence signal was read with a microplate reader Envision (excitation light wavelength 530-560 nm, emission light wavelength 590 nm). The fluorescence signal value after removing the background signal was analyzed with Prism software.
12301	1	PHD2 Inhibitory Assay	Human HIF-1&#945;556-574 (FITC-labeled HIF-1&#945;556-574), containing N-terminal FITC-Ahx, containing amino acid residues 556 to 574 (partial peptide) of HIF-1&#945; was used as a substrate. Using FITC-labeled HIF-1&#945;556-574, the competitive inhibition between 2-oxoglutarate and test compounds (PHD inhibitor) was evaluated based on the change in fluorescence polarization by the following method.An enzyme (human PHD2184-418) and the substrate were diluted with an assay buffer (pH 7.4) containing 10 mM HEPES, 150 mM NaCl, 10 &#956;M MnCl2-4H2O, 2 &#956;M 2-oxoglutarate and 0.05% Tween-20. Test compounds were diluted with DMSO. Test compounds and human PHD2184-418 was added to the 384-well plate (Corning, black, opaque bottom) in advance. The reaction was started by the addition of FITC-labeled HIF-1&#945;556-574. After incubating at 37° C. for 60 minutes, fluorescence polarization (excitation wavelength: 470 nm, fluorescence wavelength: 530 nm) was measured by PHERAstar FSX (BMG Labtech). Fluorescence polarization of each well was measured, and human PHD2 binding inhibitory activity of test compounds was calculated based on the value of test compound-free group.
12302	1	ThermoFisher SelectScreen Biochemical Kinase Profiling Service, LanthaScreen Eu Kinase Binding Assay TGFBR1 (ALK5)	Exemplified compounds are screened in 1% DMSO (final concentration) by 3-fold serial dilutions from 10,000 nM to 0.316 nM or at single concentrations of 10,000, 1000 and 100 nM according to the following protocol. To low volume, white 384-well plates (Greiner Cat #784207) add 160 nL 100× compound in 100% DMSO, 3.84 uL kinase buffer (50 mM HEPES, pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA), 8 uL 2× kinase/antibody mixture in kinase buffer (final ALK5 concentration of 5 nM; final Eu-anti-GST antibody concentration of 2 nM), 4 uL 4× Tracer #178 in kinase buffer (final concentration of 5 nM). Gently shake the plates for 30 seconds and incubate at room temperature for 1 hour before reading fluorescence on a plate reader. Percent inhibition is determined compared to DMSO only control (maximal ALK5 tracer binding) and sigmoidal dose response curve fit yielded IC50 values as indicated in Table 2.
12303	1	Mpro Enzyme Activity Assay	Representative Compounds of the Disclosure, PF-00835231, and PF-07321332 were tested for their capability to inhibit the SARS-CoV-2 main protease Mpro by using a biochemical FRET-based Mpro enzyme activity assay. Representative compounds of Formula I&#8242; and II&#8242; were also tested. See PCT/US2021/046311. Briefly, recombinant Mpro protein (Ser1-Gln306; with proven proteolytic activity) was purchased from Biosynth Carbosynth (Staad, Switzerland). An EDANS- and Dabcyl-labeled peptide was purchased from Life Technologies GmbH (Darmstadt, Germany), and served as substrate peptide for Mpro proteolytic cleavage allowing fluorescence resonance energy transfer (FRET) read-out. Due to the Mpro-mediated cleavage of the substrate peptide, the EDANS fluorescence (&#955;exc.=336 nm; &#955;em.=490 nm) becomes dequenched (from disappearing Dabcyl) and increases with increasing Mpro activity. The assay buffer was 20 mM Tris buffer supplemented with 100 mM NaCl, and 1 mM EDTA, adjusted to pH 7.3 with 1N HCl. The test compounds were diluted from 20 mM stocks in DMSO; the stock of the substrate peptide was 250 &#956;M in aqua bidest. The catalytic activity of the recombinant Mpro enzyme was 20 U/mg. It was checked in advance that neither the assay buffer nor the Mpro protein by itself emit fluorescence at 490 nm under 336 nm excitation. The basal emission of the uncleaved substrate peptide was subtracted from all results by baseline correction. The enzyme assay was carried out in black U-form half-area 96-wells. Each assay sample was finally composed of 0.4 &#956;L substrate peptide stock (3× ad 20 &#956;L assay buffer to yield finally 2 &#956;M; 100 pmol), 0.1 &#956;L Mpro enzyme (20 mU in assay buffer ad 20 &#956;L) and 20 &#956;L of 3× (in assay buffer) test compound dilution, resulting in a final sample volume of 60 &#956;L. The final test compound concentrations were: 10 &#956;M for compound fast-screening, and 0-200 &#956;M for IC50 determinations. Initially, Mpro enzyme and test compound was added and mixed in 96-well and pre-incubated for 30 min in the dark with 200 rpm swiveling at room temperature. Subsequently, the reaction was started by addition of the substrate peptide, and followed by a fluorescence kinetic (&#955;exc.=336 nm/&#955;em.=500 nm/CutOff=435 nm; 30 min with 2 min increment by using a SpectraMax M5 multiwell plate reader (Molecular Devices, San Jose, CA, USA).
12304	1	Biochemical Assay	Compounds (as 10 mM DMSO stock) were serial diluted 4-fold using 100% DMSO in a LabCyte 384-well LDV plate and acoustically transferred using a LabCyte ECHO 550 into Corning 384-well black NBS plates. Standard 10-point IC50 384-well plate layout is as follows: 100 &#956;M of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide was stamped into columns 1 and 24 (low control), DMSO was stamped into columns 2 and 23 (high control), and serial diluted compounds were stamped from high (100 &#956;M) to low (0.38 nM) concentrations in columns 3-12 (replicate 1) and 13-22 (replicate 2). Protocol for running the assay is as follows: assay wells stamped with 0.25 &#956;L of compound or DMSO were filled via a ThermoFisher Multidrop Combi liquid dispenser with 14.5 &#956;L of 150 nM or 200 nM (concentration for 25 &#956;L final reaction volume) of SARS-CoV-1 or SARS-CoV-2 3CLProM, respectively, in assay buffer (50 mM HEPES, 0.1 mg/ml BSA, 0.01% v/v TRITON X100, 2 mM DTT, pH 7.5). Assay plates were then centrifuged at 1,000 RPM (Eppendorf 5810R, S-4-104 rotor) for 1 minute, covered, and incubated at room temperature for 15 minutes. Reactions were initiated using the Multidrop Combi liquid dispenser to titrate 10 &#956;L of 2 &#956;M (concentration for 25 &#956;L final reaction volume) of fluorophore-quencher peptide substrate (from AnaSpec, Inc. Catalog No. AS-65599) solubilized in assay buffer into each well. Assay plates were again centrifuged at 1,000 RPM for 1 minute, covered, and incubated at room temperature for 30 minutes.
12305	1	Inhibition Assay	To calculate the IC50 inhibition of Axl and FLT3 by the compounds of the invention, 10 concentrations of each compound 1, 2 and 3 were prepared by 1/3 serial dilutions from the starting concentration. The Axl or FLT3 kinases were diluted at a two-fold concentration in kinase buffer. All the ATP solutions are diluted in a 4-fold working concentration (50 mM HEPES PH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA).Each compound is incubated at 10 concentrations between 100 nM and 0.00495 nM in order to calculate the IC50.
12306	1	Fluorescence Polarization (FP) Displacement Assay	All FP measurements were performed at room temperature in PBS buffer containing 0.01% Triton-X 100 and 1% DMSO in black 384-well plates. Measurements were performed on a Tecan F200 Pro plate reader fitted with polarized 485(20) nm emission filters and 535(25) nm emission filters. Initial titration of 20 nM FP probe with varying concentrations of NAMPT protein was performed to estimate a Kd value for the probe ( 750 nM), which defined the NAMPT concentration for all subsequent experiments. Anisotropy data from equilibrium competition binding experiments were fit to a four-parameter dose response equation in GraphPad prism.
12307	1	CDK9 Inhibition 	CDK9 activity assays were performed by Nanosyn using a microfluidics mobility shift platform. In this assay, a fluorescently labeled substrate is incubated with the enzyme in the presence of test compounds. Samples are run through microfluidic chips, separating them based on differences in charge; this separates the more positive substrate from the more negative product. Enzyme activity is measured through comparison of the fluorescence from substrate and product peaks.
12308	1	Competition Binding Assay	For IC50 determination using Jurkat or E&#956;-Myc1080 cells, samples containing 2×105 cells (or 4×105 cells; exact cell number used in the respective evaluations is given in the results section) in Hank&#39;s balanced salt solution (HBSS)/1% Bovine Serum Albumin (BSA) were incubated with 100.000 cpm of the respective radioligand (approx. 0.1 nM) in the presence of increasing concentrations (10&#8722;11 to 10&#8722;5 M) of the respective peptide of interest (n=3 per concentration). The total sample volume was 250 &#956;L. After incubation at room temperature (RT) for 120 min with gentle agitation (200 mot/min), the tubes were centrifuged (5 min, 450g, Megafuge 1.0, Heraeus Thermo Scientific) and the supernatant was carefully removed. After washing twice with 400 &#956;L of cold HBSS, the amount of cell-bound radioligand was quantified using a &#9633;-counter.[0403]In the case of the adherent C6 glioma cells, cells were harvested using Trypsin/EDTA (0.05 % and 0.02%) in PBS one day prior to the experiment, centrifuged and resuspended with culture medium to a concentration of app. 150.000 cells/mL. The suspension was transferred into PLL-coated twenty-four-well plates (1 mL/well, Greiner, Solingen. Germany) and placed in the incubator overnight. On the day of the experiment, the culture medium was removed and the cells were washed with 250 &#956;L of HBSS before being left to equilibrate in 200 &#956;L of HBSS (1% BSA) at 37° C. for a minimum of 15 min before the experiment. Then, cells were incubated with 100.000 cpm of the respective radioligand (approx. 0.1 nM) in the presence of increasing concentrations (10&#8722;11 to 10&#8722;5 M) of the respective compound of interest (n=3 per concentration). The total sample volume was 250 &#956;L. After incubation at room temperature (RT) for 120 min, the supernatant was removed and cells were washed twice with 200 &#956;L of cold HBSS. Then, cells were lysed using 250 &#956;L of 1 N NaOH, the lysate was transferred to vials and combined with 250 &#956;L of HBSS used for rinsing the wells. Quantification of the amount of free and bound activity was performed in a &#9633;-counter.
12309	1	USP9X Enzyme Assay	USP9X enzyme assays were set up in a 96 well plate to assess the abilities of Compound 3A and Compound 4A to inhibit the activity of USP9X, respectively. Ubiquitin-rhodamine110 was used as the substrate and ubiquitin aldehyde was included in the assay as a positive control. Ubiquitin aldehyde binds covalently to the thiol group of the active site Cys of USP9X. The activity of USP9X was completely abolished by incubation with ubiquitin aldehyde. The activity of USP9X was reduced approximately 60% with the higher concentrations of Compound 2A, Compound 3A, and Compound 4A (>10 &#956;M). The partial inhibition of USP9X was not due to the lack of solubility of these compounds at high concentrations but instead was shown to have a mechanistic basis. 
12310	1	Inhibition of Compounds on PARP1/7 Enzyme Activity	(1) Pre-coating: Add 100 &#956;L of a PBS buffer (10 mM NaH2PO4, 10 mM Na2HPO4, 150 mM NaCl, pH 7.4) containing 20 g/mL of histone to each well of a 96-well plate, and incubate at 4° C. overnight.(2) Add 30 &#956;L of reaction buffer (50 mM Tris, 2 mM MgCl2, pH 8.0) containing 100 &#956;M NAD+, 25 &#956;M biotinylated NAD+, and 200 nM slDNA to each well.(3) Add 5 &#956;L of the test substance or solvent to each well.(4) Add 20 &#956;L of(PARP1 or PARP7 (50 ng/well), and incubate at 30° C. for 1 hour.(5) Add 50 &#956;L of streptavidin-HRP to the reaction mixture, and incubate at 30° C. for 30 minutes.(6) Finally, add 100 &#956;L of a citrate buffer containing H2O2 and luminol (0.1 M, pH 5.4), and measure the luminescent signal using a microplate reader (Molecular Devices SpectraMax M5).(7) Calculate the inhibition rate of PARP1 or PARP7 enzyme activity as [(control group&#8722;treatment group)/control group]×10000. Fit the dose-response data with standard dilutions using Prism GraphPad software and calculate the concentration required to achieve 5000 inhibition of PARP1 or PARP7 enzyme activity (IC50).
12311	1	Inhibitory Activity of Compounds against RIPK1 Enzyme	The compound to be tested was dissolved in DMSO to prepare a 10 mM stock solution, diluted 3.16 times with DMSO into a series of concentration gradients, and then MOPS pH 7.0 buffer solution was used to dilute 50 times to prepare a working solution, and mixed well with 36 nM RIPK1 (final concentration), 0.33 mg/ml substrate MBP. Afterwards, 10 mM magnesium ions and 155 &#956;M phosphorus 33 isotope-labeled ATP were added to react, The final concentration of DMSO was 2%. After the reaction was proceeded at room temperature for 2 hours, phosphoric acid was added to terminate. The final reaction system was processed and detected using a liquid scintillation counter. After the test results are subtracted from the blank control and compared with the reading value of the control group to convert to the activity percentage, which was plotted as a curve with the final concentration of the corresponding compound, and four-parameter fitting was used to obtain the IC50 of the compound that inhibits RIPK1 enzyme activity. It can be seen from the experimental results that the exemplary compounds of the present invention possessed high inhibitory activity against RIPK1, with an IC50 value of less than 200 nM (for example, 0.1 nM to 200 nM); IC50 values of some compounds were even less than 100 nM (for example. 0.1 nM to 100 nM) or less than 50 nM (for example, 0.1 nM to 50 nM). 
12312	2	Inhibitory Effect on the Activity of Isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4) of Human Liver Microsomal Cytochrome P450	A total of 5 specific probe substrates of 5 isoenzymes of CYP, namely phenacetin (CYP1A2), diclofenac (CYP2C9), (S)-mephenytoin (CYP2C19), dextromethorphan (CYP2D6) and midazolam (CYP3A4) are each co-incubated with human liver microsomes and test compound, and then reduced nicotinamide adenine dinucleotide phosphate (NADPH) was added to initiate the reaction. After the reaction was completed, samples were treated, and the concentrations of 5 metabolites (acetaminophen, 4&#8242;-hydroxydiclofenac, 4&#8242;-hydroxymephenytoin, dextrorphan and 1&#8242;-hydroxymidazolam) generated by the specific substrates were quantitatively detected by LC-MS/MS to calculate the corresponding half inhibitory concentrations (IC50).
12312	1	In Vitro Detection of the Inhibitory Activity of Compounds Against PDE 4B Enzyme	Procedure:1. The recombinant human PDE4B enzyme and enzyme substrate (1 uM cAMP) were each dissolved in newly prepared experimental buffer solution;2. The PDE4B enzyme buffer solution was transferred into reaction wells;3. The compound which was dissolved in 100% DMSO was added to the reaction wells containing PDE4B enzyme buffer solution by acoustic technique (echo 550; millilambda range) and the mixture was incubated for 10 minutes at room temperature;4. The enzyme substrate buffer solution was added to the above reaction wells to initiate reaction;5. The resulting mixture was incubated at room temperature for 1 hour;6. The detection mixture (Transcreener AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracer) was added to stop the reaction, and the resulting mixture was incubated for 90 minutes while slowly mixing. The measurement range of fluorescence polarization was Ex/Em=620/688.
12313	1	HTRF Displacement Assay	Test compounds were prepared as 10 mM stock solutions in DMSO (Fisher cat #BP231-100). Compounds to be assayed were dispensed using an Echo 650 acoustic dispenser (Beckman Coulter) on a 384 well plate in 6 doses applying four-fold dilutions from the highest concentration of 5 &#956;M. N-terminal GST-tagged recombinant full-length BTK wildtype protein and BTK C481 S protein 2-659 were purchased from Carna Biosciences, Inc (Kobe, Japan). BTK wildtype or BTK C481S protein was separately incubated with compound in assay buffer containing kinase tracer 239 (Thermo Fisher) and Mab anti GST-Th (PerkinElmer). After a 1-hour incubation at room temperature, the HTRF signal was measured using SPARK plate reader (Tecan) using the TR fluorescence mode. The HTRF ratio is calculated for DMSO, no protein control and compound samples using the following equation: HTRF ratio=Emmision665/Emmision620×10{circumflex over (&#8195;)}4. The signal for the no protein control samples was used to subtract background noise from the DMSO and compound samples. Background subtracted HTRF ratios are used to calculate the percent inhibition, where DMSO controls are set to 0 percent inhibition. The percent inhibition is plotted as a function of compound concentration and IC50 values were calculated from a four-parameter logistic fit in Prism v9.4 (GraphPad), where the bottom and top are constrained to 0 and 100, respectively.
12314	1	c-MET Inhibitory Activity	Experimental methods: Enzyme reaction substrate, poly(Glu, Tyr)sodium salt (Glu:Tyr=4:1) was diluted with potassium-free phosphate buffered saline (PBS) (10 mM sodium phosphate buffer, 150 mM NaCl, pH=7.2-7.4) to 20 &#956;g/mL, coated on an ELISA plate with a volume of 125 &#956;L/well, and reacted at 37° C. for 12 h. The supernatant in each well was discarded, and the ELISA plate was washed with 200 &#956;L/well T-PBS (potassium-free PBS containing 0.1% Tween-20) three times for 5 minutes each time. Then the ELISA plate was dried in an oven at 37° C. for 2 h.The maximum concentration of compounds was set to 3.0 &#956;M, and the compound solution was subjected to 3-fold dilution with DMSO, a total of 10 concentration levels were obtained as follows: 3.0 &#956;M, 1.0 &#956;M, 0.33 &#956;M, 0.11 &#956;M, 0.037 &#956;M, 0.012 &#956;M, 0.0041 &#956;M, 0.0014 &#956;M, 0.00045 &#956;M and 0.00015 &#956;M. Each concentration was tested in triplicate. 80 &#956;L of Adenosine Triphosphate (ATP) solution diluted with reaction buffer, 10 &#956;L of compounds with various concentrations (10 &#956;L blank DMSO solution was added to a negative control well) and 10 &#956;L of enzyme solution diluted with reaction buffer were sequentially added into each well. The mixture was then processed on a shaker at 37° C. for 1 h. The final reaction buffer contained HEPES (pH=7.4) 50 mM, MgCl 2 50 mM, MnCl2 0.5 mM, Na3 VO4 0.2 mM and DTT 1 mM. The final concentration of the ATP solution was 4 &#956;M, and the amount of enzyme was 1 &#956;L/well. The ELISA plate was washed three times with T-PBS.
12315	1	Binding Assay for &#947;2-Containing GABAA Subtypes	Table 1: Radioligand binding assays were carried out in a volume of 200 uL (96-well plates) which contained 100 uL of cell membranes, [3H]Flumazenil at a concentration of 1 nM and the test compound in the range of [0.1 10+-3+-10] 10+-6 M. Nonspecific binding was defined by 10+-5 M Diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4 C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.The compounds of the accompanying examples were tested in the above described assay, and the preferred compounds were found to possess large Ki value for displacement of [3H]Flumazenil from the alpha1beta3gamma 2 subtype of the human GABAA receptor of 100 nM or above. Most preferred are compounds with a Ki alpha1beta3gamma 2 (nM) >300. In a preferred embodiment the compounds of the invention are binding selectively for the gamma 1 subunit-containing GABAA receptors relative to gamma 2 subunit-containing GABAA receptors. 
12315	2	Electrophysiology	Table 2: Electrophysiological experiments were performed using the Roboocyte instrument (MultiChannelSystems, Reutlingen, Germany) on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly superfused by a solution containing (in mM) NaCl 90, KCl 1, HEPES 5, MgCl2 1, CaCl2 1 (pH 7.4). Oocytes were impaled by two glass microelectrodes (resistance: 0.5-0.8 MQ) which were filled with a solution containing KCl 1M+K-acetate 1.5 M and voltage-clamped to &#8722;80 mV. The recordings were performed at room temperature using the Roboocyte two-electrode voltage clamp system (Multichannelsystem). After an initial equilibration period of 1.5 min GABA was added for 1.5 min at a concentration evoking approximately 20% of a maximal current response (EC20). After another rest interval of 2.5 min GABA was again added evoking a response of similar amplitude and shape. 0.5 min after the onset of this second GABA application the test compound, at a concentration corresponding to approximatively 30-fold its Ki &#945;2&#946;2&#947;1, was added while GABA was still present. Current traces were recorded at a digitization rate of 10 Hz during and shortly before and after the GABA application.
12316	1	Inhibitory Activities of Compounds on ATM	(1) Preparation of 1× kinase basal buffer and reaction termination solution1) 1× kinase basal buffer50 mM HEPES, pH 7.50.0015% Brij-35 (polyoxyethylene lauryl ether)100 mM Na3VO45 M NaCl1 M MgCl21 M MnCl22) Reaction termination solution100 mM HEPES, pH 7.50.015% Brij-350.2% Coating Reagent #350 mM EDTA(2) Preparation of test compound1) Dissolution and dilution of compound: a compound was dissolved into DMSO to yield a 10 mM or 5 mM stock solution. To a 96-well plate, 98 &#956;L of DMSO and 2 &#956;L of the 10 mM stock solution were added and mixed evenly so that the concentration of the solution was 200 &#956;M. To another 96-well plate, 45 &#956;L of DMSO and 5 &#956;L of the 200 &#956;M solution were added to yield a 20 &#956;M working solution.2) The working solution of the compound was sequentially diluted in the 96-well plate by the way of taking 10 &#956;L of a solution at a higher concentration to 30 &#956;L of DMSO to yield a mixed solution at a lower concentration and transferring the mixed solution to the next well, and so on, in order to set up 10 concentration gradients.3) 100 &#956;L of DMSO was added to the blank well and served as a blank control without compound or enzyme.4) Preparation of intermediate sample plate: 40 &#956;L of each of the solutions with gradient concentrations prepared in the 96-well plate was taken and transferred to a new 384-well plate as an intermediate sample plate.(3) Preparation of test plate100 nL of the compound solution was taken from each well of the intermediate sample plate to a 384-well plate as a test plate.(4) Kinase reaction1) The kinase was dissolved in the 1× kinase basal buffer to yield a 2× enzyme solution.2) 10 &#956;L of the 2× enzyme solution was taken to the 384-well test plate.3) The 384-well test plate was incubated at room temperature for 10 min.4) FAM-labeled polypeptide substrate and ATP were dissolved in the 1× kinase basal buffer to yield a 2× substrate peptide solution.5) 10 &#956;L of the 2× substrate peptide solution was taken to each well of the 384-well test plate, respectively.6) Progress and termination of enzymatic reaction: the test plate, to which the enzyme solution and the substrate peptide solution were added, was incubated at 37° C. for a while, and then 35 &#956;L of the reaction termination solution was added to terminate the reaction.(5) Reading of the reaction wells(6) Calculation of inhibitory rates by means of curve fitting to the read values
12316	4	Inhibitory Activity of Compounds on ATR	(1) Preparation of 1 kinase buffer and reaction termination solution1) 1 kinase buffer50 mM HEPES, pH 7.50.0015% Brij-351 M MnCl22) Reaction termination solution100 mM HEPES, pH 7.50.015% Brij-350.2% Coating Reagent #350 mM EDTA(2) Preparation of test compound1) The compound was dissolved in DMSO to yield a stock solution. Before the assay, to a 96-well plate, 30 uL of a 10 mM stock solution was taken and added with 60 uL of DMSO. The solution was sequentially diluted by the way of taking 30 uL of a solution at a higher concentration to 60 uL of DMSO to yield a mixed solution at a lower concentration and transferring the mixed solution to the next well, and so on, and 10 concentration gradients were set up.2) 100 uL of DMSO was added, respectively, into two blank wells in the same 96 well plate, corresponding to the total reaction control without compound and the blank control without enzyme.3) Preparation of intermediate sample plate: 40 uL of the solution in each well of the above 96-well plate was taken and transferred to a new 384-well plate as an intermediate sample plate.(3) Preparation of test plate60 nL of the solution in each well of the intermediate sample plate was taken to a test plate.(4) Kinase reaction1) ATR kinase was dissolved in the 1 kinase buffer to yield a 2 enzyme solution at a concentration that is twice the final concentration. 10 uL of the 2 enzyme solution was taken to each well of the test plate and incubated at room temperature for 10 min.2) FAM-labeled polypeptide substrate and ATP were dissolved in the 1 kinase buffer to yield a 2 substrate solution at a concentration that is twice the final concentration. 10 L of the 2 substrate solution was taken to each well of the test plate.3) Kinase reaction:After incubation at 28 C. for a certain time, 30 uL of the reaction termination solution was added to terminate the enzymatic reaction.(5) Reading of the reaction wells(6) Calculation of inhibitory rates by means of curve fitting to the read values.% inhibitory rate=(max+-sample value)/(max+-min)*100; wherein max represents the value of the total reaction well with DMSO but no compound; min represents the value of the blank control well without enzyme and compound.
12316	5	Inhibitory Activities of Compounds on mTOR Kinase	(1) Preparation of 1× kinase buffer50 mM HEPES, pH 7.51 mM EGTA0.01% Tween-20(2) Preparation of test compound1) The compound was dissolved in DMSO to yield a stock solution. Before the assay, the stock solution of the compound was diluted with DMSO to yield a 100× solution at a concentration that is 100 times a target concentration for assay. If the target concentration was M, the stock solution should be diluted to yield a 1 mM solution at this step.2) 100 &#956;L of DMSO was added, respectively, into two blank wells in the same 96 well plate, corresponding to the total reaction control without compound and the blank control without enzyme.3) Preparation of intermediate sample plate: 4 &#956;L of the 100× solution was added into a new 96-well plate, then 96 &#956;L of the 1× kinase buffer was added, and the plate was shaken for 10 min for mixing evenly to serve as an intermediate sample plate.4) Preparation of test plate: 2.5 nL of the compound solution was taken from each well of the intermediate sample plate to a 384-well plate.(3) Kinase reaction1) The mTOR kinase was dissolved in the 1× kinase buffer to yield a 4× enzyme solution at a concentration that is 4 times the final concentration. 2.5 &#956;L of the 2× enzyme solution was taken to each well of the test plate. The blank control without enzyme was added with 2.5 &#956;L of the 1× kinase buffer instead of the enzyme solution. The test plate was shaken for mixing evenly.2) ULight-4E-BP1 polypeptide substrate and ATP were dissolved in the 1× kinase buffer to yield a 2× substrate solution at a concentration that is twice the final concentration. 5 L of the 2× substrate solution was taken to each well of the test plate. The test plate was shaken for mixing evenly.3) Kinase reaction:Each well of the test plate was covered and incubated at room temperature for 30 min.(4) Kinase detection1) The kinase quench buffer (EDTA) and Eu-anti-phospho-4E-BP1 antibody were formulated into a detection buffer at a concentration that is twice the final concentration. 10 &#956;L of the detection buffer was added to each well of the test plate.2) The plate was centrifuged for a short time to mix evenly, shaken gently, and equilibrated at room temperature for 60 min.(5) Reading of the reaction wells(6) Calculation of inhibitory rates by means of curve fitting to the read values.
12316	3	Inhibitory Activities of Compounds on DNA-PK Kinase: ADP-Glo Kinase Assay	(1) Preparation of 1× kinase buffer40 mM Tris, pH 7.50.0055% Brij-3520 mM MgCl20.05 mM DTT(2) Preparation of test compound1) The compound was dissolved in DMSO to yield a stock solution. Before the assay, the stock solution of the compound was diluted with DMSO to yield a 100× solution at a concentration that is 100 times a target concentration for assay. If the target concentration was M, the stock solution should be diluted to yield a 1 mM solution at this step.2) 100 &#956;L of DMSO was added, respectively, into two blank wells in the same 96 well plate, corresponding to the total reaction control without compound and the blank control without enzyme.3) Preparation of test plate: 50 nL of the compound solution in each of the above wells was taken to a 384-well plate as a test plate.(3) Kinase reaction1) DNA-PK kinase was dissolved in 1× kinase buffer to yield a 2× enzyme solution that is twice the final concentration. 2.5 &#956;L of the 2× enzyme solution was taken to each well of the test plate. The blank control without enzyme was added with 2.5 &#956;L of the 1× kinase buffer instead of the enzyme solution. The test plate was shaken for mixing evenly.2) The substrate and ATP were dissolved in the 1× kinase buffer to yield a 2× substrate solution that is twice the final concentration. 2.5 &#956;L of the 2× substrate solution was taken to each well of the test plate. The test plate was shaken for mixing evenly.3) Kinase reactionEach well of the test plate was covered and incubated at room temperature for 3 h.(4) Kinase detection1) The ADP-Glo reagent was equilibrated at room temperature.2) 5 &#956;L of ADP-Glo reagent was added to each well of the test plate to terminate the reaction.3) The plate was centrifuged for a short time to mix evenly, shaken gently, and equilibrated for 120 min.4) 10 &#956;L of kinase detection reagent was added to each well, with shaking for 1 min, after equilibrating for 30 min, fluorescence detection was performed.(5) Reading of the reaction wells(6) Calculation of inhibitory rates by means of curve fitting to the read values.
12316	2	Inhibitory Activities of Compounds on PI3K&#945;, PI3K&#946;, PI3K&#947;, and PI3K&#948; Kinase: ADP-Glo Kinase Assay	(1) Preparation of 1× kinase buffer50 mM HEPES, pH 7.53 mM MgCl21 mM EGTA100 mM NaCl0.03% CHAPS2 mM DTT(2) Preparation of test compound1) Dissolution and dilution of compound:The compound was dissolved in DMSO to yield a stock solution. Before the assay, the stock solution of the compound was diluted with DMSO in a 384-well plate to yield a 100× solution at a concentration that is 100 times a target concentration for assay.50 &#956;L of DMSO was added, respectively, into two blank wells in the same 384 well plate, corresponding to the total reaction control without compound and the blank control without enzyme.2) Preparation of test plate: 50 nL of the compound solution in each of the above wells was taken to a test plate.(3) Kinase reaction1) PI3K&#945;, PI3K&#946;, PI3K&#947;, and PI3K&#948; kinases were dissolved, respectively, in 1× kinase buffer to yield a 2× enzyme solution at a concentration that is twice the final concentration. 2.5 L of the 2× enzyme solution was taken to each well of the test plate. The blank control without enzyme was added with 2.5 &#956;L of the 1× kinase buffer instead of the enzyme solution. The test plate was shaken for mixing evenly.2) PIP2 substrate and ATP were dissolved in the 1× kinase buffer to yield a 2× substrate solution that is twice the final concentration. 2.5 &#956;L of the 2× substrate solution was taken to each well of the test plate. The test plate was shaken for mixing evenly.3) Kinase reactionEach well of the test plate was covered and incubated at room temperature for 1 h.(4) Kinase detection1) The ADP-Glo reagent was equilibrated at room temperature.2) 5 &#956;L of ADP-Glo reagent was added to each well of the test plate to terminate the reaction.3) The plate was centrifuged for a short time to mix evenly, shaken gently, and equilibrated for 120 min.4) 10 &#956;L of kinase detection reagent was added to each well, with shaking for 1 min, after equilibrating for 30 min, fluorescence detection was performed.(5) Reading of the reaction wells(6) Calculation of inhibitory rates by means of curve fitting to the read values
12317	1	ATR Kinase Inhibition Assay	This experiment adopted Homogeneous time-resolved fluorescence technology (HTRF ) of Cisbio Company for assay.Experiment method: buffers were prepared as follows:Final Concentration of VolumeName Resource concentration stock solution (uL)HEPES (mM) Gibco, Cat # 15630-080 25 1000 75Brij35 Sigma, Cat # 9002-92-0 0.01%  1% 30BSA (mg/mL) Sigma, Cat # B2064-50G 1 100 30DTT (mM) Sigma, Cat # D0632-10G 5 1000 15Glycerol Sigma, Cat # G5516-500ML  % 50% 60MnCl2 (mM) Sigma, Cat # 7773-01-5 10 1000 30H2O 2760Total (uL) 3000Preparation of solutions of the test compounds: The example compounds shown in the table below were prepared into solutions using DMSO as solvent, the stock solution typically being 10 mM. The maximum starting concentration in this experiment was 3 uM, DMSO 3-fold serial dilutions for concentrations, the serially diluted solution was added to each well of the corresponding 384-well plate (geriner bio-one, Cat #784075) to give final concentrations of 3000, 1000, 333, 111, 37, 12.3, 4.12, 1.37, 0.457, 0.152 nM, respectively, and the corresponding amount of DMSO was added to the additional wells to be used as negative or positive control wells, respectively.
12318	1	TR-FRET Assay	Compounds of interest were prepared in a dose-response titration in DMSO, and 80 nL were added via Labcyte Echo to each well of a 384-well plate (Perkin Elmer 6008280). The His-tagged KRAS G12D protein (Amgen) was diluted to 20 nM in Assay Buffer (20 mM HEPES, pH 7.4, 10 mM MgCl2, 50 mM NaCl, 0.1% BSA, 0.01% Tween-20, 10 &#956;M GDP) and 2 &#956;L was added to the appropriate wells of the 384-well plate. The plate was incubated for 30 minutes at room temperature. Biotinylated KRPep-2d substrate (Amgen) was diluted to 20 nM in Assay Buffer and 2 &#956;L was added to all wells and incubated for 1 hour at room temperature. Detection Reagent (0.4 nM LANCE Eu-W1024 Anti-6×His (Perkin Elmer AD0401), 5 nM streptavidin-d2 (Cisbio 610SADLA)) was prepared in Assay Buffer, then 4 &#956;L was added to the plate and incubated for 1 hour at room temperature. Plates were read using PerkinElmer EnVision (ex: 320 nm, em1: 665 nm, em2: 615 nm) and em1/em2 data was used to generate curve fits using a 4-parameter logistic model to calculate IC50 values.
12318	2	Coupled Nucleotide Exchange Assay	Purified GDP-bound KRAS protein (aa 1-169), containing both G12D and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for 2 hours. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 minutes. The assay plates were then read on a PerkinElmer EnVision Multilabel Reader, using AlphaScreen technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12319	1	In-Vitro Biochemical Assays	Avi-humanTEAD4217-434 (1 nM, produced as described in Hau et al. ChemBioChem 14, 1218, 2013) and LANCE Eu-W1024 Streptavidin (0.5 nM, PerkinElmer) were first pre-incubated for 1 h at room temperature in HEPES (pH 7.4, 50 mM), KCl (100 mM), Tween-20 (0.05%), TCEP (0.25 mM), EDTA (1 mM), and BSA (0.05%)]. N-terminus Cy5 labeled humanYAP60-100 (20 nM) was then added to this preparation. Compounds were dissolved at 10 mM in 100% DMSO and serial dilutions were made in 100% DMSO. The diluted compound solutions were incubated in white 384-well plates (Greiner Bio-One) for 1 h at room temperature with the above described mix. The final DMSO concentration present in the assay was 1%. The fluorescence was measured (50 &#956;s delay between excitation and fluorescence, 75 &#956;s integration time) with a Genios Pro reader (Tecan) and use of an excitation wavelength of 340 nm and emission wavelengths of 620 nm and 665 nm. Data analyses were carried out by using the TR-FRET ratio emission 655 nm/620 nm. The IC50 values were estimated by fitting the data by nonlinear fit regression (GraphPad Prism). In the alternative format, the assay was conducted in the presence of 5 nM His-humanTEAD4217-434, 10 nM N-biotinylated YAP60-100, 0.2 nM anti-His Europium labelled antibody and 10 nM SA-XL665. 
12320	1	Glucosylceramide Synthase Assay	To determine glucosylceramide synthase inhibition, substrates at 2× of their Km (fluorescent ceramide and UDP-glucose, 3 &#956;M and 4 &#956;M respectively) and microsomes (1:50 dilution) are combined 1:1 and incubated at room temperature for 1 hour in the dark on a plate shaker. The reaction is stopped by the addition of 150 &#956;L of 100 &#956;M C8-ceramide in 50% aq. isopropanol; 10 &#956;L of the final mix is analyzed on HPLC (with fluorescence detector). The mobile phase is 1% formic acid added to 81% methanol/19% water with flow rate 0.5 mL/min. Fluorescence is detected with &#955;ex=470 nm and &#955;em=530 nm. Under these conditions, NBD-C6-GluCer had a retention time of about 1.7 min and NBD-C6-Cer elutes from the column after about 2.1 min. Both peaks are separated from each other and the baseline and were integrated automatically by the HPLC software. The percent conversion of substrate to product is used as the readout for inhibitor testing.
12321	1	HTRF Assay	PD-L1 His protein was prepared and added at the final concentration of 6 nM in the White opaque 384 well plate (Corning cat #3824BC). PD-L1 small molecule inhibitors were diluted by 3-fold starting from 20 &#956;M and a final concentration of 0.001 &#956;M and added to the well. PD-1 Fc protein was added at the final concentration of 6 nM. PD-L1 His protein, PD-L1 small molecule inhibitors, and PD1 Fc proteins were added to the well in this order, with each 5 &#956;l volume, and were incubated for 15 minutes at room temperature. PAb anti-Human IgG-XL665 (Cisbio, cat #61HFCXLA) and Mab anti-6HIS Tb cryptate Gold (Cisbio, cat #61HI2TLA) were mixed at 6.7 nM and 0.35 nM respectively, and total 5 &#956;l volume of mixture was added to the well and incubated at room temperature for 1 hour. The plate was read using PerkinElmer Envision plate reader and data was analyzed by Prism 6 software.
12322	1	GGDPS Enzyme assay	Recombinant GGDPS was obtained from MyBioSource (San Diego, CA). Recombinant enzyme (20 nM GGDPS) was incubated with assay buffer (50 mM Tris-HCl, pH 7.7, 20 mM MgCl 2, 5 mM TCEP, 5 &#8263; g/mL BSA) and test compounds for 10 minutes at room temperature. The reaction was initiated by the addition of 10 &#8263; M FPP and 10 &#8263; M [ 14 C]-IPP and was carried out at 37° C. for 30 minutes. The reaction was stopped by the addition of saturated NaCl. Radiolabeled GGPP was extracted with n-butanol and counted via liquid scintillation counting. CompuSyn software (ComboSyn, Inc.) was used to analyze the concentration response curves and determine the IC50 values.
12323	1	In-Vitro Assay	THP1 monocytes were differentiated with PMA (100 ng/mL) and incubated at 37 deg C. for 20 hrs in presence of 5% CO2. 2×105 differentiated cells were plated per well of 96 well tissue culture plates. The cells were primed using 500 ng/mL Lipopolysaccharide and incubating for 4 h under the same condition. The cells were then treated with various concentrations of the compounds for 30 min followed by treatment with 5 mM ATP for 1 hr. The supernatants were collected and analyzed by IL-1b (Mabtech Cat #3415-1H-20) or TNF-&#945; (Mabtech; Cat #3510-1H-20) detection kit. The data were analyzed using GraphPad Prism V7.0. Dose Response Curve (DRC) was constructed to determine the IC50 value by fitting percentage cell survival data to the GraphPad Prism using nonlinear regression analysis. 
12324	1	Inhibition of KIF18A Microtubule-Dependent ATPase Activity	Table 9: Test compounds were plated in a 3× dilution scheme in a 384-well plate. Assay buffer: 80 mM PIPES (pH 6.9), 1 mM MgCl2, 75 mM KCl, 1 mM EGTA, 1 mM DTT, 0.01% BSA, 0.005% Tween-20, 1 &#956;M Taxol in H2O. To 50 nL of compound in DMSO was added 2.5 &#956;L of enzyme mix [4 nM hKIF18A (1-374) in assay buffer]. After incubation at room temperature for 30 min, 2.5 &#956;L of microtubule mix was added [0.2 mg/mL pre-formed microtubules, 2.0 mM ATP in assay buffer], the plate was centrifuged for 30 s and then incubated at 28° C. for 60 min. 5 &#956;L of Promega ADP-Glo Max R1 was added, the plate was centrifuged for 30 s, and the mixture incubated for 4 h at room temperature. 10 &#956;L of Promega ADP-Glo Max R2 was added, the plate centrifuged for 30 s, and incubated for 60 min at room temperature. Luminescence was measured with an Envision plate reader, and % Inhibition was calculated for each well as: ([max&#8722;min]&#8722;[test&#8722;min])/[max&#8722;min]. IC50 values were calculated from concentration vs. % Inhibition data via a four-parameter variable slope model.
12324	2	Binding Kinetics to KIF18a-Microtubule Complex	Table 10: Compound binding kinetics parameters (kon and koff) were determined by the method of global progress curve analysis (GPCA). KIF18A (0.25 nM) was incubated for up to 24 hr with serially diluted compound in the assay buffer containing 80 mM PIPES, pH 6.9, 1 mM ATP, 0.1 mg/ml preformed microtubule from porcine brain (Cytoskeleton), 1 mM MgCl2, 1 &#956;M Taxol, 75 mM KCl, 1 mM EGTA, 1 mM DTT, 0.01% BSA and 0.005% Tween-20. ADP product levels were determined by the Promega ADP-Glo assay. The time/dose-dependent progress curves were then globally fit to a Michaelis-Menten kinetics model with 1-step slow binding inhibition to derive both on-rate kon and off-rate koff values.
12325	1	RIPK1 HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPK1(1-324) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.
12326	1	GIRK1/4 Activity Assay	The GIRK1/4 activity of a compound according to the present invention was assessed by the following in vitro method.Buffers:a. External buffer: 10 mM NaCl, 50 mM Na Gluconate, 80 mM K Gluconate, 1.8 mM CaCl2, 1 mM MgCl2, 10 mM HEPES, 10 mM Glucose, pH 7.4; osmolarity 300-310 Osm/L.b. Internal buffer: 30 mM KCl, 100 mM K Gluconate, 1 mM MgCl2, 10 mM HEPES, 1 mM EGTA, 10 mM NaCl, pH 7.2; osmolarity 284-292 Osm/L.Compounds:c. Prepare seven-fold compound dilution series (10 mM to 20 uM) in 100% DMSO, in 384-well polypropylene plates.d. Propafenone (Sigma Aldrich, catalog number P4670) was used as a positive control and DMSO for neutral controle. Resuspend 1 &#956;l of compounds in DMSO into 66.7 &#956;l external buffer in 384-well polypropylene plate and load into Plate 1 section of Molecular Devices Quattro Quattro Setup:f. Load 384-well Population Patch Plate (Molecular Devices #9000-0902) into Quattrog. Fill Quattro F-soak trough with 20% DMSO and 50% EtOHh. Fill Quattro buffer trough with external bufferi. Attach internal buffer flask to Quattro internal buffer tubingj. Attach PBS (Phosphate Buffered Saline, minus Ca++ and Mg++, pH7.4) bottle to F-head & E-head wash on QuattroAntibiotic:k. Resuspend 5.1-5.8 mg amphotericin B (Sigma Aldrich, catalog number A2411) in 175 &#956;l DMSOl. Add the resulting solution to 50 mL internal buffer and attach to antibiotic tubing port on QuattroCells:m. Use GIRK1/4 HEK293 stable cells (obtained from ChanTest, 14656 Neo Parkway, Cleveland, Ohio 44128) grown to 80% confluency in the following cell culture medium: DMEM containing 10% (v/v) Fetal Bovine Serum, Penicillin/Streptomycin (at IX concentration from a 100× stock), 0.5 mg/mL G418 and 0.1 mg/mL Zeocin.n. Detach cells using Detachin (Genlantis, 11011 Torreyana, San Diego, CA 92121), washed with PBS (minus Ca++ and Mg++) and resuspend in external buffer (5 mL final volume at 2.0-2.1×106 cells/mL)o. Load into cell trough of QuattroAssay Protocol:Quattro was controlled using IonWorks v2 software to perform the following steps:p. Added 3.5 &#956;l cells plus 3.5 &#956;l external buffer to wells of Quattro Patch Plate q. Circulated amphotericin B and internal buffer onto cellsr. Applied the following voltage protocol: Pulse 1: 15 mV for 300 milliseconds (ms), followed by Pulse 2: &#8722;120 mV for 400 ms, then Pulse 3: &#8722;15 mV for 400 ms, and finally Pulse 4: &#8722;120 mV to 40 mV over 500 ms (this is a voltage ramp).s. Measured magnitude of inward potassium current at time point between 1200-1220 ms from start of Pulse 1 (i.e., during the voltage ramp phase).t. Added 3.5 &#956;l of diluted compounds (or DMSO) to wells and repeated steps c-d (final compound concentrations are 50 uM to 0.1 uM, and each concentration was tested in quadruplicate i.e., in 4 separate wells).u. The difference between current magnitude pre vs. post-compound gave a measure of GIRK1/4 inhibition.
12327	1	TBD	TBD
12328	1	In Vitro Fluorescence Assay of ADAMTS-4 or ADAMTS-5 Activity	Table 1: A FRET (fluorescence resonance energy transfer) peptide was cleaved by recombinant ADAMTS-4 or ADAMTS-5 proteins into two separate fragments resulting in an increase of fluorescence signal which was quantified. The peptide was 5-FAM-TEGEARGSVILLK(5-TAMRA)K-NH2, customized from ANASPEC. ADAMTS-4 recombinant protein (catalog #4307-AD) and ADAMTS-5 recombinant protein (catalog #2198-AD) were purchased from R&D Systems. An assay buffer containing 50 mM HEPES pH 7.5, 100 mM NaCl, 5 mM CaCl2, 0.1% CHAPS and 5% Glycerol was prepared. A volume of 2.5 &#956;l of compound in the assay buffer was dispensed to a 384-well plate, and 2.5 &#956;l of ADAMTS-4 or ADAMTS-5 protein (final concentration in the reaction was 10 nM) was added. The compounds and proteins were pre-incubated at room temperature for 15 minutes. Then, 5 &#956;l of substrate was added to each well. The final substrate concentrations for ADAMTS-4 and ADAMTS-5 were 15 &#956;M and 8 &#956;M, respectively. The fluorescence signal in each well was determined, after incubation at 37° C. for 3 hours, on a TECAN plate reader (Excitation, 490 nm; Emission, 520 nm).
12328	2	In Vitro ELISA (Enzyme-Linked Immunosorbent Assay) of ADAMTS-5 Activity	Table 2: In this assay, the enzymatic activity of recombinant ADAMTS-5 protein (catalog #2198-AD, R&D Systems) was assayed with a protein substrate, the aggrecan IGD protein. The aggrecan IGD protein is a polypeptide connecting human aggrecan globular domains 1 and 2 (T331-G458) expressed in E. Coli with a C-terminal His-tag (catalog #30411000, BIOTEZ). The enzymatic product ARGSVIL-peptide was detected using an ELISA kit from BioTEZ (catalog #30510111). An assay buffer containing 50 mM HEPES pH 7.5, 100 mM NaCl, 5 mM CaCl2), 0.1% CHAPS and 5% Glycerol was prepared. Recombinant ADAMTS-5 protein was diluted to 0.3 nM in the assay buffer. Ten &#956;l of buffer and 10 &#956;l of compound solution was transferred to each well of a 96-well plate and incubated at room temperature for 15 minutes. Substrate aggrecan-IGD was diluted to 100 nM with the assay buffer and 20 &#956;l was added to each well. The plate was incubated at 37° C. for 45 minutes. After incubation, the newly generated epitope ARGSVIL-peptides were measured using the Aggrecanase Activity ELISA Assay Kit following the manufacturer&#39;s instructions. Then, 100 &#956;l of stop solution was added and the absorbance of each well was read at 450 nM, using 620 nM as reference on a TECAN plate reader.
12329	1	SERT Binding Affinity Assay	Conditions for SERT binding assay,Receptor Source Human recombinant (CHO cells)Vehicle 1.0% DMSOIncubation Time 1 hIncubation Temperature 25° C.Incubation Buffer 5 mM Tris-HCl, pH 7.4Ligand 2.0 nM [3H]imipramineNon-Specific Ligand 10.0 &#956;M imipramineKd 1.7 nM
12330	1	Potency of IRAK4 Inhibitor Compounds in IRAK4 Enzyme Assay	The inhibitory activity of compounds against IRAK4 were determined in an enzymatic assay using mass spectrometry readout. Ten point half-log compound concentration response curves, with a top concentration of 1 &#956;M or 10 &#956;M, were generated from 10 mM stocks of compound solubilized in DMSO using an Echo 655 (Labcyte Inc) and added to 384 well assay plates (Greiner #781280). To the assay plates, 10 &#956;L of human recombinant IRAK4 protein (Life Technologies #PV4002) diluted to a final concentration of 0.2 nM in assay buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl, 5 mM glutathione, 0.01% BSA, 3 mM ATP) was added. The enzyme was incubated with the compounds at room temperature for 15 minutes before a peptide substrate (KKARFSRFAGSSPSQSSMVAR, Innovagen custom synthesis, 10 mM in DMSO) was added to each well to a final concentration of 10 &#956;M using an Echo 655 (Labcyte Inc). After two hours at room temperature, the reaction was stopped with 65 &#956;L of 0.4% formic acid (Merck #33015). The unphosphorylated and phosphorylated peptide were measured by LC-MS/MS on a Waters TQ-S mass spectrometer. Peaks were integrated using the TargetLynx software and the ratios between phosphorylated and unphosphorylated peptides were calculated. 
12330	2	Potency of IRAK4 Inhibitor Compounds in cKit Enzyme Assay	Potency of IRAK4 Inhibitor Compounds in cKit Enzyme Assay. Evaluation of the effects of the IRAK4 inhibitor compounds on the activity of the human cKit kinase quantified by measuring the phosphorylation of the substrate Ulight-TK peptide using a human recombinant enzyme and the LANCE detection method at Eurofins CEREP, catalog item 3070, SOP no 1C768: The test compound, reference compound or water (control) are mixed with the enzyme (0.38 ng) in a buffer containing 40 mM Hepes/Tris (pH 7.4), 0.8 mM EGTA/Tris, 8 mM MgCl2, 1.6 mM DTT and 0.008% Tween 20. Thereafter, the reaction is initiated by adding 100 nM of the substrate Ulight-TK peptide and 50 &#956;M ATP, and the mixture is incubated for 30 min at room temperature. For control basal measurements, the enzyme is omitted from the reaction mixture. Following incubation, the reaction is stopped by adding 13 mM EDTA. After 5 min, the anti-phopho-PT66 antibody labeled with europium chelate is added. After 60 more min, the fluorescence transfer is measured at lex=337 nm, lem=620 nm and lem=665 nm using a microplate reader (Envision, Perkin Elmer). The enzyme activity is determined by dividing the signal measured at 665 nm by that measured at 620 nm (ratio). The results are expressed as a percent inhibition of the control enzyme activity. The standard inhibitory reference compound is staurosporine, which is tested in each experiment at several concentrations to obtain an inhibition curve from which its IC50 value is calculated.
12331	1	Cbl-b and C-cbl LCK Ub TR-FRET Assay	Compounds were 3-fold serially diluted in DMSO in a 384-well polypropylene plate (#P-05525-BC; Labcyte) to generate a source plate with 10 concentrations of each compound, top concentration=2 mM. 80 nL of DMSO or compounds were transferred to each well of a black 384-well ProxiPlate (#6008260; PerkinElmer) using a Labcyte Echo. 1× assay buffer (50 mM HEPES pH7.0, 100 mM NaCl, 0.01% BSA, 0.01% Triton-X100, 1 mM DTT), 2× enzyme solution (16 nM Biotin-Cbl-b or 12 nM Biotin-c-Cbl in 1× assay buffer), 2× kinase mixture (120 nM His-LCK, 1 mM ATP, 10 mM MgCl2 in assay buffer) and 2.33× detection mixture (4.66× solution 1: 163 nM Anti-HA-D2 antibody (#610HADAB; PerkinElmer), 27.96 nM Streptavidin-EU (#AD0062; PerkinElmer), 1.398 mM EDTA in 1× assay buffer+4.66× solution 2: 2.796 &#956;M UBE2D2/Methylated-HA-Ubiquitin thioester adduct (BostonBiochem) in 1× assay buffer) were prepared. 4 &#956;L of 2× enzyme solution was added to each well containing compound, briefly centrifuged to mix, and incubated for 60 min at room temperature. 4 &#956;L of 2× kinase mixture was added, briefly centrifuged to mix, and incubated for 90 min. at room temperature. 6 &#956;L of detection mixture was added to all wells and briefly centrifuged before incubating for 20 min at room temperature. Plates were read for TR-FRET using an Envision at excitation 340 nm, emission at 615 and 665 nm, 4 flashes per well. IC50 was generated using no LCK as the low control and DMSO as the high control.
12332	1	MASTL Activity Assay	Wild-type human MASTL (0.5 nM) was incubated in assay buffer (30 mM HEPES, 100 mM NaCl, 0.5 mM EGTA, 10 mM MgCl2, 0.01% Tween-20, 0.5 mM TCEP, pH 7.5) with biotin tagged 40-mer ENSA peptide (10 nM), test compound and ATP (18 &#956;M) for 15 minutes at room temperature. Test compounds were assayed using a 10-point dose range consisting of a 0, DMSO control and 9 sequential doses consisting from 0.0003, 0.001, 0.003, 0.01, 0.03, 0.1, 0.3, 1, 3, 10 and 30 &#956;M. The DMSO concentration was the same (0.1%) in all samples. An equal volume of detection buffer (assay buffer+0.53 nM Ab-K, 2.5 nM SA-D2, 20 mM EDTA and 100 mM KF) was added to stop the reaction to make a final volume of 20 &#956;l. Activity was measured using a plate reader (BMG Labtech Pherastar) by the FRET signal generated between SA-D2 (streptavidin-D2) and Ab-K (anti-phospho-Serine 67 ENSA antibody (rabbit polyclonal, using standard techniques by a commercial supplier) conjugated to Cryptate). HTRF reagents (CisBio) were prepared as per the manufacturer recommendations. The 40-mer biotin-tagged ENSA peptide (synthesised by Peptide Protein Research) used was based around Serine 67 on ENSA (YPSLGQKPGGSDFLMKRLQKGQKYFDSGDYNMAKAKMKNK).
12333	1	Biological Assay	Compounds disclosed herein were tested for inhibition of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase in an assay based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assay was carried out in 384-well low volume black plates in a reaction mixture containing CDK4/Cyclin D1 or CDK6/Cyclin D3, 1 mM ATP, 0.15 &#956;M Rb (Ser780)-biotin substrate and 0-10 &#956;M compound in buffer containing 50 mM HEPES pH7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 50 mM MgCl2, 1 mM DTT and 0.005% Tween-20. The kinase was incubated with compound for 60 minutes at room temperature and the reaction was initiated by the addition of ATP and Rb (Ser780)-biotin substrate. After reaction at room temperature for 120 minutes, an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (Cisbio Bioassays). The stop/detection solution contained Streptavidin-XL665 and Anti-pRb (Ser780) mAb-Eu Cryptate in Detection buffer (Cisbio Bioassays). Plates were incubated at room temperature for 60 minutes, and the TR-FRET signals (ex337 nm, em665 nm/620 nm) were recorded on a PHERAstar FSX plate reader (BMG Labtech). The inhibition percentage of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Dotmatics.
12334	1	HPK1 ADP-Glo Enzyme Assay	The buffer used in the enzyme assay contains 5 mM MOPS (pH=7.2), 2.5 mM &#946;-Glycerol Phosphate, 0.4 mM EDTA, 1 mM EGTA, 0.05 mM DTT, 5 mM MgCl2. The compound was dissolved in 100% DMSO at the concentration was 10 mM. The initial concentration of the test was 5 uM, and ten data points were diluted by three-fold gradient, and each point was repeatedly measured twice. The HPK1 protein was purchased from Thermo (Cat. No. PV6355) and diluted to 2× stock solution at the concentration of 10 nM (the final concentration of the enzyme assay was 5 nM). 2.5 l of 2×HPK1 protein was added to each well of the plate containing the test compound, centrifuged at 1000 rpm for 30 seconds, and then incubated at 25° C. for 15 minutes. MBP protein was purchased from Millipore (Cat. No. 13-110) and ATP was purchased from Sigma (Cat. No. A7699-5G) and the two were formulated into 2× working solutions at concentrations of 4 uM and 80 uM. Added 2.5 &#956;l mixture of 2×MBP and ATP, centrifuged at 1000 rpm for 30 seconds, then incubated at 25° C. for 90 minutes. Then added 5 ul of ADP-Glo (Promega, Cat. No. V9102) to the assay plate and incubated at 1000 rpm for 30 minutes at 25° C. for 60 minutes. Finally, 10 ul of the kinase assay reagent (Promega, Cat. No. V9102) was added to the assay plate, centrifuged at 1000 rpm for 30 seconds at 25° C. for 60 minutes, and the fluorescence intensity was determined.
12335	1	Radiolabel Binding Studies for the Sigma-2 Receptor	A stock concentration of 5 nM 3H-1,3-di-(2-tolyl)guanidine (3H-DTG) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 &#956;l) of radioligand are dispensed into the wells of a 96-well plate containing 100 &#956;l of Assay Buffer. Duplicate 50 &#956;l aliquots of the compound of the disclosure test and Haloperidol positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant sigma-2 receptors (50 &#956;L) are dispensed into each well. The membranes are prepared from stably tranfected cell lines expressing sigma-2 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at &#8722;80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.The 250-&#956;l reactions are incubated at room temperature for 1.5 hours, then harvested by rapid filtration onto 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester. Four rapid 500-&#956;l washes are performed with chilled Assay Buffer to reduce non-specific binding. The filter mats are dried, then scintillant is added to the filters and the radioactivity retained on the filters is counted in a Microbeta scintillation counter.
12336	1	Inhibitory Activity Assay	1× kinase base buffer (50 mM HEPES, pH 7.5, 0.0015% Brij-35) and a stop buffer (100 mM HEPES, pH 7.5, 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA) were prepared for testing kinases. The compounds were diluted with 100% DMSO to 100 times the highest final inhibitor concentration required in the reaction. 100 &#956;l of dilution of the compound was transferred to wells of a 96-well plate. For example, 100000 nM solution of the compound in DMSO was prepared in this step in case that an inhibitor concentration of 1000 nM is required. 100 &#956;l of 100% DMSO was added to two empty wells of a 96-well plate for no compound control and no enzyme control. This plate was labeled as the source plate. A new 96-well plate with 5 &#956;l of compound transferred from the source plate is used as an intermediate plate. 95 &#956;l of 1× kinase buffer was added to each well of the intermediate plate. The compounds in the intermediate plate was mixed on a shaker for 10 minutes. 5 &#956;l of sample in each well from the 96-well intermediate plate was transferred to the 384-well plate in duplicate. For example, well A1 of the 96-well plate was transferred to wells A2 and A1 of the 384-well plate, and well A2 of the 96-well plate was transferred to wells A3 and A4 of the 384-well plate, and so forth. 2.5× enzyme solution was prepared: 1× kinase basal buffer with added kinase. 2.5× peptide solution was prepared: 1× kinase basal buffer with added FAM-labeled peptide and ATP. To an assay plate already contained 5 &#956;l of 10% dimethyl sulfoxide compound, 2.5× enzyme solution was transferred, and each well of the 384-well assay plate was added 10 &#956;l of 2.5× enzyme solution. After incubation at room temperature for 10 minutes, 2.5× peptide solution was transferred to the assay plate. Each well of the 384-well assay plate was added 10 &#956;l of 2.5× peptide solution. Kinase reaction and termination: incubation at 28° C. for a specified period followed by the addition of 25 &#956;l stop buffer to stop the reaction.
12337	1	Enzyme Assay	In a 96-well opaque black plate, NAMPT (30 nM all concentrations provided as final), PRPP (50 &#956;M) and ATP (2 mM) with or without test compounds (11 concentrations, prepared by three-fold dilutions from final concentration of 30 mM, all in triplicate) were incubated for 20 minutes at 37° C. in TMD buffer (50 mM Tris-HCl, 10 mM MgCl2, 2 mM DTT, pH 7.5). The enzymatic reaction was initiated by the addition of NAM (25 &#956;M) and the plate incubated for 20 minutes at 37° C. 20 &#956;L of 20% acetophenone (in DMSO) and 20 &#956;l of 2 M KOH were added to each well and incubated to ambient temperature of 5 minutes, then 90 &#956;l of 100% formic acid was added to each well and the plate incubated at 37° C. for 20 minutes before reading on a Hides Sense plate reader (Ex/Em=355/460 nm). Data was processed to % control in Excel and IC50 curves fitted using GraphPad Prism. Data is reported from fitting of n=3 separate repeats
12338	1	Assay of In Vitro Kinase Activity	1. Purpose of the Assay:The ability of compounds to inhibit ERK1 and ERK2 kinase activity was measured.2. Assay Buffer:20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM ethylenebis(oxyethylenenitrilo)tetraacetic acid (EGTA), 0.02% Brij35, 0.02 mg/mL bovine serum albumin (BSA), 0.1 mM Na3VO4, 2 mM dithiothreitol (DTT), 1% DMSO.3. Processing of Compound:The assay compound was dissolved in 100% DMSO to prepare a stock solution of specific concentration. The compound was serially diluted in DMSO solution using Integra Viaflo Assist smart pipette.4. Method of the Assay:a) The substrate MBP was prepared in freshly prepared reaction buffer;b) ERK1 (or ERK2) kinase was added to the above-mentioned MBP solution and mixed gently.c) The compound dissolved in 100% DMSO was added to the kinase reaction system using ultrasound technology (Echo550; nanoliter range), and the mixture was incubated at room temperature for 20 minutes;d)33P-ATP (specific concentration of 10 &#956;Ci/&#956;L) was added to the reaction system, and the reaction was started at this time;e) The mixture was incubated at room temperature for 2 hours;f) The amount of radioactivity was detected by filter-binding method;g) ERK1 (or ERK2) kinase activity was calculated as the ratio of the remaining kinase activity in the assay sample to the kinase activity of the control group (treated by DMSO).
12339	1	Evaluation of the Inhibition of PKK Using an Endpoint Assay	Human PKK (0.01 U/mL; Enzyme Research Laboratories) or rat PKK (0.625 nM; produced in-house) was incubated for 1 h at rt with 0.10 &#956;M fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Subsequently, PPACK II (Calbiochem) was added as a stop solution to achieve a final concentration of 1 &#956;M and fluorescence was measured using an Envision Reader (PerkinElmer) with the wavelength excitation setting of 355 nm and the wavelength emission setting of 460 nm.
12339	2	Evaluation of the Inhibition of PKK	Human PKK (1.78 nM or 0.025 U/mL; Enzyme Research Laboratories) was incubated at 24° C. with 0.25 mM fluorogenic substrate H-Pro-Phe-Arg-AMC (11295 from Bachem) and various concentrations of the test compound in assay buffer. Measurements were performed in a kinetic interval every 2nd minute for 16 min using a Spectramax M5 (Molecular Devices) with the following settings of the wavelength excitation of 350 nm and wavelength emission of 450 nm. Ki values for compounds according to the invention are shown in the following table.
12340	1	SPR Assay to Determine Binding Affinity to FK506-Binding Proteins (FKBP)	N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each protein was subsequently immobilized on a streptavidin chip in a Biacore 8K SPR instrument (GE Healthcare). Using single-cycle kinetics, compound titrations were flowed at 45 uL/min over each surface using 2-minute association and 30-minute dissociation phases in a buffer containing 50 mM Tris pH 7.5/150 mM NaCl/0.01% Tween 20/1 mM DTT/2% DMSO. The data was fit using low molecular weight (LMW) single-cycle kinetics. The equilibrium dissociation constants (KD) are reported.
12341	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 &#956;L 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
12342	1	Exon20-Mutant-EGFR(V769_D770insASV) Kinase Assay	A recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and a fragment of human EGFR variant (amino acids R669 to A1210 with insertion of the amino acids sequence ASV between V769 and D770; ( EGFR ins ASV ), expressed in Sf9 insect cells and purified via affinity chromatography using Glutathion Sepharose as described above, was used as kinase. As substrate for the kinase reaction the biotinylated peptide biotin-Ahx-AEEEEYFELVAKKK SEQ ID 6 (C-terminus in amide form) was used which can be purchased e.g. form the company Biosynthan GmbH (Berlin-Buch, Germany). For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 &#956;l of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 &#956;L of a solution of adenosine tri phosphate (ATP, 3.33 mM=>final conc. in the 5 &#956;L assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;L assay volume is 1 &#956;M) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 2.5 &#956;g/&#956;l. The reaction was stopped by the addition of 3 &#956;l of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, an terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66 Tb cryptate PT66 Eu Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5). The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Tb-Cryptate. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the PT66-Tb-Cryptate to the streptavidine-XL665.
12342	2	Bub1 High ATP Kinase Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 3 &#956;l of a solution of adenosine-tri-phosphate (ATP, 3.33 mM=>final conc. in the 5 &#956;l assay volume is 2 mM) and substrate (1.67 &#956;M=>final conc. in the 5 &#956;l assay volume is 1 &#956;M) in aqueous assay buffer [50 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 200 mM potassium chloride (KCl), 1.0 mM dithiothreitol (DTT), 0.1 mM sodium ortho-vanadate, 1% (v/v) glycerol, 0.01% (w/v) bovine serum albumine (BSA), 0.005% (v/v) Trition X-100 (Sigma), 1× Complete EDTA-free protease inhibitor mixture (Roche)] were added. Then the kinase reaction was started by the addition of 2 &#956;l of a solution of Bub1 in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of Bub1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 200 ng/ml. The reaction was stopped by the addition of 3 &#956;l of a solution of TR-FRET detection reagents (0.167 &#956;M streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM anti-phosho-Serine antibody [Merck Millipore, cat. #35-002] and 0.67 nM LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, as an alternative a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]) in an aqueous EDTA-solution (83.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 100 mM HEPES pH 7.5). The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL.
12343	1	In Vitro Screen for ALK5 Kinase Inhibition	In a 96 well filter-bottom plate (Millipore, #MSDV N6B 50), 58 &#956;L Assay Buffer is added to reach well. Add 10 &#956;L of Cold ATP mix in Assay Buffer, then 10 &#956;L of a 1:10 dilution of &#945;-Casein stock. Then add 2 &#956;L of compound being tested (DMSO) at a 50× final concentration. Hot ATP mix (10 &#956;L) is added, and the reaction is started with the addition of 10 &#956;L of a 1:350 dilution of the ALK5 protein (2 nM final) in Assay Buffer with 0.05% BSA (Bovine Serum Albumin). The reaction is mixed for 5 minutes at room temperature, and then continued for 145 minutes at room temperature. The reaction is then stopped with the addition of 100 &#956;L of ice-cold 20% TCA (trichloroacetic acid). The assay is then incubated for at least 1 hour at 4° C., and then the contents of each well are filtered by suction through the filter. The wells are washed three times with 200 &#956;L ice-cold 10% TCA. The plate bottom is blotted before and after removing plastic sub-base, and dried overnight at room temperature. Add 30 &#956;L of scintillation fluid, and count 1 minute per well on a Wallac Tri-Lux scintillation counter.
12344	1	Receptor Binding Assay	In general, the results are expressed as a percent of control specific binding: measured&#8290;specific&#8290;bindingcontrol&#8290;specific&#8290;binding×100and as a percent inhibition of control specific binding:100-(measured&#8290;specific&#8290;bindingcontrol&#8290;specific&#8290;binding× 100)obtained in the presence of the test compounds. The IC50 values (concentration causing a half-maximal inhibition of control specific binding) and Hill coefficients (nH) are determined by non-linear regression analysis of the competition curves generated with mean replicate values using Hill equation curve fitting:Y=D+[A-D1+(C/C5&#8290;0)nH] where Y=specific binding, A=left asymptote of the curve, D=right asymptote of the curve, C=compound concentration, C50=IC50, and nH=slope factor. This analysis was performed using in-house software and validated by comparison with data generated by the commercial software SigmaPlot 4.0 for Windows ( 1997 by SPSS Inc.). The inhibition constants (Ki) were calculated using the Cheng Prusoff equation: Ki=IC5&#8290;0(1+L/KD) where L=concentration of radioligand in the assay, and KD=affinity of the radioligand for the receptor. 
12345	1	Binding Activity of Compound of the Present Invention to Glucocorticoid Receptor GR	The binding activity of the compound to GR was determined using the Polarscreen Glucocorticoid Receptor Assay Kit, Red (brand: Thermo, Cat. No: A15898). The test compound was diluted 10-fold with DMSO in a 96-well V-bottom plate (brand: Nunc, Cat. No: 249944). The highest concentration was 100 &#956;M, 8 concentrations in total. The compound was then further diluted 50-fold with the detection buffer Complete GR Screening buffer provided in the kit, 10 &#956;L of the diluted compound was transferred to a 384 microplate (brand: Corning, Cat. No: 4514), 5 &#956;L of Fluormone GS Red (4× concentration) was added to the test compound, then a mixture of 5 &#956;L of GR Full length (4× concentration) was added, and the experiment was performed in duplicate. The 384 microplate were incubated at room temperature in the dark for 2 h, and the fluorescence polarization (mP) was detected using the En Vision multifunctional microplate reader (manufacturer: Perkinelmer).
12345	2	Binding Activity of Compound of the Present Invention to Estrogen Receptor ER	The binding activity of the compound to ER was determined using the LanthaScreen TR-FRET ER Alpha Coactivator Assay kit (brand: Thermo, Cat. No: A15885). The ER receptor agonist Estradiol (brand: Sigma, Cat. No: E8875-25) was diluted 10-fold with DMSO in a 96-well V-bottom plate. The highest concentration was 100 &#956;M, 8 concentrations in total. The test compound was diluted 10-fold with DMSO. The highest concentration was 3000 &#956;M, 8 concentrations in total. The compound was then further diluted 50-fold with the detection buffer Nuclear Receptor Buffer E (containing 5 mM DTT) provided in the kit, 10 &#956;L of the diluted compound was transferred to a 96-well half-area microplate (brand: Corning, Cat. No: 3694), 5 &#956;L of ER-LBD protein (4× concentration) was added to the test compound, then a mixture of 5 &#956;L of fluorescein-coactivator peptide and Tb-labeled anti-GST antibody (4× concentration) was added, and the experiment was performed in duplicate. The plate was incubated at room temperature for 2 h, the fluorescence values (Excitation 337, Emission 520/495 nm) were detected using the PHERAstar instrument, and the 520:495 ratio was calculated. With the log value of the final concentration of the compound as the X axis and the 520/495 ratio as the Y axis, data was input into the software Graphpad Prism 9, and the EC50 value was calculated by four-parameter fitting.
12345	3	Binding Activity of Compound to Androgen Receptor AR	The binding activity of the compound to AR was determined using the LanthaScreen TR-FRET Androgen Receptor Coactivator Assay kit (brand: Thermo, Cat. No: A15878). The AR receptor agonist dihydrotestosterone (DHT) (brand: Sigma, Cat. No: D-073) was diluted 10-fold with DMSO in a 96-well V-bottom plate. The highest concentration was 100 &#956;M, 8 concentrations in total. The test compound was diluted 10-fold with DMSO. The highest concentration was 3000 &#956;M, 8 concentrations in total. The compound was further diluted 50-fold with the detection buffer Nuclear Receptor Buffer A (containing 5 mM DTT) provided in the kit, 10 &#956;L of the diluted compound was transferred to a 96-well half-area microplate, 5 &#956;L of AR-LBD protein (4× concentration) was added to the test compound, then a mixture of 5 &#956;L of fluorescein-coactivator peptide and Tb-labeled anti-GST antibody (4× concentration) was added, and the experiment was performed in duplicate. The plate was incubated at room temperature for 2 h, the fluorescence values (Excitation 337, Emission 520/495 nm) were detected using the PHERAstar instrument, and the 520:495 ratio was calculated. With the log value of the final concentration of the compound as the X axis and the 520/495 ratio as the Y axis, data was input into the processing software Graphpad Prism 9, and the EC50 value was calculated by four-parameter fitting.
12345	4	Binding Activity of Compound to Progesterone Receptor PR	The binding activity of the compound to PR was determined using the LanthaScreen TR-FRET Progesterone Receptor Coactivator Assay kit (brand: Thermo, Cat. No: A15903). The PR receptor agonist Progesterone (brand: Sigma, Cat. No: P0130) was diluted 10-fold with DMSO in a 96-well V-bottom plate. The highest concentration was 100 &#956;M, 8 concentrations in total. The test compound was diluted 10-fold with DMSO. The highest concentration was 3000 &#956;M, 8 concentrations in total. The compound was then further diluted 50-fold with the detection buffer Nuclear Receptor Buffer F (containing 5 mM DTT) provided in the kit, 10 &#956;L of the diluted compound was transferred to a 96-well half-area microplate, 5 &#956;L of PR-LBD protein (4× concentration) was added to the test compound, then a mixture of 5 &#956;L of fluorescein-coactivator peptide and Tb-labeled anti-GST antibody (4× concentration) was added, and the experiment was performed in duplicate. The plate was incubated at room temperature for 2 h, the fluorescence values (Excitation 337, Emission 520/495 nm) were detected using the PHERAstar instrument, and the 520:495 ratio was calculated. With the log value of the final concentration of the compound as the X axis and the 520/495 ratio as the Y axis, data was input into the processing software Graphpad Prism 9, and the EC50 value was calculated by four-parameter fitting.
12345	5	Inhibitory Effect of Compound of the Present Invention on Enzymatic Activity of CYP2C9 and CYP2D6	I. Experimental Materials and Instruments1. Human liver microsome (Corning 452117)2. NADPH (Solarbio 705Y021)3. Positive substrates diclofenac (Sigma SLBV3438) and dextromethorphan (TRC 3-EDO-175-1)4. Positive inhibitors sulfaphenazole (D. Ehrenstorfer GmbH 109012) and quinidine (TCI WEODL-RE)5. AB Sciex Triple Quad 5500 liquid chromatography-mass spectrometry systemII. Procedures1. Preparation of 100 mM phosphate-buffered saline (PBS): 7.098 g Na2HPO4 was weighed. 500 mL pure water was added. The mixture was dissolved by sonication to give solution A. 3.400 g KH2PO4 was weighed. 250 mL pure water was added. The mixture was dissolved by sonication to give solution B. The solution A was placed in a stirrer, and the solution B was slowly added until the pH reached 7.4, so that the 100 mM PBS buffer was prepared.2. A 10 mM NADPH solution was prepared with a 100 mM PBS buffer. A 10 mM stock solution of the compound of the present invention was diluted with DMSO to give a compound working solution at a concentration of 200×(6000, 2000, 600, 200, 60, 20, and 0 &#956;M). The positive inhibitor stock solution was diluted with DMSO to give a positive inhibitor working solution at a concentration of 200×(sulfaphenazole, 1000, 300, 100, 30, 10, 3, and 0 &#956;M; quinidine, 100, 30, 10, 3, 1, 0.3, and 0 &#956;M). Substrate working solutions (120 &#956;M diclofenac and 400 &#956;M dextromethorphan) at a concentration of 200× were prepared with water, acetonitrile, or acetonitrile/methanol.3.2 &#956;L of 20 mg/mL liver microsome solution, 1 &#956;L of substrate working solution, 1 &#956;L of compound working solution, and 176 &#956;L of PBS buffer were taken, mixed well, and placed in a 37° C. water bath for pre-incubation for 15 min. 1 &#956;L of sulfaphenazole or quinidine working solution was added to the positive control group instead of the compound working solution. At the same time, 10 mM NADPH solution was placed together in the 37° C. water bath for pre-incubation for 15 min. After 15 min, 20 &#956;L of NADPH was added to each well to initiate the reaction. The mixture was incubated at 37° C. for 5 min (CYP2C9) or 20 min (CYP2D6). All incubated samples were in duplicate. After incubation for the corresponding period of time, 400 &#956;L of icy methanol containing internal standard was added to all samples to stop the reaction. The mixture was vortexed, mixed well, and centrifuged for 40 min at 4° C. at 3220 g. 100 &#956;L of the supernatant was transferred to a feeding plate after the centrifugation was completed, and 100 &#956;L ultrapure water was added. The mixture was well mixed for LC-MS/MS analysis.
12346	1	Biochemical Studies	Enzyme assays and inhibition studies. Cloning and expression of the 3CL protease of SARS-CoV-2 and FRET enzyme assays. The codon-optimized cDNA of full length of 3CLpro of SARS-CoV-2 (GenBank number MN908947.3) fused with sequences encoding 6 histidine at the N-terminal was synthesized by Integrated DNA (Coralville, IA). The synthesized gene was subcloned into the pET-28a(+) vector. The expression and purification of SARS-CoV-2 3CLpro were conducted following a standard procedure. Briefly, a stock solution of an inhibitor was prepared in DMSO and diluted in assay buffer comprised of 20 mM HEPES buffer, pH 8, containing NaCl (200 mM), EDTA (0.4 mM), glycerol (60%), and 6 mM dithiothreitol (DTT). The SARS-CoV-2 protease was mixed with serial dilutions of inhibitor or with DMSO in 25 &#956;L of assay buffer and incubated at 37° C. for 1 h, followed by the addition of 25 &#956;L of assay buffer containing substrate (FAM-SAVLQ/SG-QXL 520, AnaSpec, Fremont, CA). The substrate was derived from the cleavage sites on the viral polyproteins of SARS-CoV. Fluorescence readings were obtained using an excitation wavelength of 480 nm and an emission wavelength of 520 nm on a fluorescence microplate reader (FLx800; Biotec, Winoosk, VT) 1 h following the addition of substrate. Relative fluorescence units (RFU) were determined by subtracting background values (substrate-containing well without protease) from the raw fluorescence values using established procedures. The dose-dependent FRET inhibition curves were fitted with a variable slope by using GraphPad Prism software (GraphPad, La Jolla, CA) in order to determine the IC50 values of the compounds. The expression and purification of the 3CLpro of MERS-CoV, as well as the FRET enzyme assays were performed using an established procedure.
12347	1	Radiolabel Binding Studies for the Sigma-2 Receptor	The canine PDE3A assay kit was purchased from BPS Bioscience (San Diego, CA) which included dog PDE3A recombinant enzyme, FAM-cyclic-3',5'-AMP (20 uM), PDE3 assay buffer, binding agent, binding agent diluent and microtiter 96-well plates. Compounds were initially dissolved in DMSO. The stock concentration was subsequently diluted in cPDE assay buffer (10 stock) and serially diluted to give a concentration response curve starting at 10 uM (>7 total concentrations). Following the serial dilution, compound solution (0.1% final DMSO) was transferred to an assay plate (96-well) where the remaining canine PDE3A assay reagents were dispensed according to the BPS Bioscience protocol (catalog #79735) procedure using a final concentration of 5 pg/uL of enzyme. Each compound was evaluated for the inhibition of the canine PDE3A enzyme activity using the measurement of fluorescent polarization changes. The 50% inhibition concentration (IC50) nM was calculated and reported. As a comparison to the current cPDE3 inhibitors of the invention, pimobendan had a cPDE3 IC50 value of about 1530 nM.
12348	1	LRRK2 Km ATP LanthaScreen Assay	Compound potency against LRRK2 kinase activity was determined using LanthaScreen technology from Life Technologies Corporation (Carlsbad, CA) using a GST20 tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide (LRRK2 phosphorylated ezrin/radixin/moesin (ERM)), also from Life Technologies. The data presented for the Km ATP LanthaScreen Assay represents mean IC50 values based on several test results and may have reasonable deviations depending on the specific conditions and reagents used. Km is the Michaelis constant of an enzyme and is defined as the concentration of native substrate (ATP for a kinase) which permits the enzyme to achieve half Vmax (Vmax=rate of reaction when the enzyme is saturated with substrate). IC50 (half-maximal inhibitory concentration) represents the concentration of inhibitor required to inhibit LRRK2 kinase activity by 50%. Assays were performed in the presence of 134 &#956;M ATP (Km ATP). Upon completion, the assay was stopped, and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 &#956;M in 100% DMSO, followed by custom fold serial dilution in DMSO nine times. 20 nL of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 &#956;l of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-min incubation period at RT, the kinase reaction was started with the addition of 5 &#956;L of 400 nM fluorescein-labeled LRRKtide (LRRK2 phosphorylated ezrin/radixin/moesin (ERM)) peptide substrate and 134 &#956;M ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 min. The reaction was then stopped by the addition of 20 &#956;L of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide (LRRK2 phosphorylated ezrin/radixin/moesin (ERM)) antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation period of 1 h at RT, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm.
12349	1	Monoacylglycerol Lipase (MAGL) Inhibition Assay	MAGL Inhibition was measured by the following assay. Monoacylglycerol Lipase (MAGL) inhibition was measured using recombinant MAGL enzyme (aa 2-303 RBC, internal preparation) and the substrate 4-Nitrophenyl acetate (4NPA) (Sigma-Aldrich, N8130). Hydrolysis of the substrate in the presence of the enzyme was measured by absorbance at 405 nm. 10 &#956;L of assay buffer (10 mM Tris pH 7.5, 1 mM EDTA, 0.9% DMSO) was added to a black 384-well non-binding plate with clear bottom (Greiner, 781906) for each reaction. Compounds were dispensed using an acoustic liquid handler (Echo, Beckman) at 45 nL (0.1% DMSO). Test compounds and control for MAGL inhibitor JZL-184 (Caymen Chemical, 13158) were tested in 10-concentration IC50 mode with 3-fold serial dilution at a starting concentration of 10 &#956;M. DMSO control wells were included for reference. A 10.8 nM (1.8×) MAGL mix in assay buffer was prepared, with 25 &#956;L added to each reaction well, for a final assay concentration of 6 nM. No enzyme wells received 25 &#956;L of buffer. Plate was incubated at room temperature for 30 minutes. 35 mM solution of 4NPA in methanol was prepared daily. A 4.5×4NPA substrate solution was prepared in assay buffer and 10 &#956;L was added to each reaction well, for a final assay concentration of 0.25 mM. Plate was spun for 1 minute at 1000 rpm before measuring absorbance using a CLARIOstar plate reader (BMG Labtech). A kinetic reading at 405 nm was done every minute for 30 minutes. Data was analyzed using the linear slope of the reaction progress curve and the average of the no-enzyme wells (background) was subtracted from the data. The background-subtracted slope data was converted to % activity using the average of wells with enzyme and DMSO vehicle. IC50s were calculated using GraphPad software (Sigmoidal dose response, variable slope equation).
12350	1	Enzyme Inhibition Biochemical Assay	Recombinant full length human OGA enzyme was purchased from Origene. 4-MUGlcNAc substrate was purchased from Sigma. All other reagents were purchased from Sigma or Fisher. Assay buffer consists of the McIlvaine buffer system, pH 6.4 (0.2M Na2HPO4 mixed with 0.1M citric acid) and 0.01% BSA. Reactions consist of 1 nM OGA, 100 &#956;M 4-MUGlcNAc (Km), and compound in a final volume of 10 &#956;l. Reactions were incubated for 90 minutes at room temperature and quenched with 40 &#956;l of 3M glycine, pH 10 and read on a Perkin Elmer Envision plate reader (Ex: 355 nm/Em: 460 nm). Compounds were tested with a 10-point dose-response starting from 20 &#956;M with a 4-fold dilution. Data was fit using GraphPad Prism using a 4-parameter fit with variable slope.
12351	1	Kinase Activity Assay	Compounds VKT-007, VKT-034, VKT-036, and VKT-511 were tested in 10-dose IC50 duplicate mode with a 3-fold serial dilution starting at 10 &#956;M. Control compound, Staurosporine, was tested in 10-dose IC50 mode with 4-fold serial dilution starting at 20 &#956;M. Reactions were carried out at 10 &#956;M ATP. Compound VKT-320 was tested in 10-dose IC50 triplicate mode with a 3-fold serial dilution starting at 9.827 &#956;M. Control compound, Staurosporine, was tested in 10-dose IC50 mode with 4-fold serial dilution starting at 20 &#956;M. Reactions were carried out at 10 &#956;M ATP.
12352	1	Enzymatic Activity Assay	The compounds were tested for SGK-1 activity by measuring the ability of the compound to inhibit the transfer of phosphate from ATP by the isolated enzyme to serine/threonine residues in a fluorescein labeled substrate peptide, FLPeptide 6 (PerkinElmer, Waltham, USA, Cat. No: 760350). The enzymatic reaction was initiated by addition of 15 &#956;L of solution 1 containing (in mM) 10 MgCl2, 0.010% Brij-35, 2 DTT, 0.05% BSA, 1 EGTA, 50 HEPE (pH7.5) and 0.665 nM SGK to 5 &#956;L of solution 2 containing 10 MgCl2, 0.010% of Brij-35, 2 DTT, 0.05% BSA, 1 EGTA, 50 HEPES (pH7.5), 6 UM of FLPeptide and 80 UM of ATP. After incubating the plate at room temperature for 90 min, 75 &#956;L of stopping buffer (containing 0.5 M EDTA) is added to terminate the reaction. The samples were analyzed using an EZ reader. For the determination of the compound dose response, stock solution of compound prepared in DMSO was diluted and tested in a 10 point, three-fold dilution series run in duplicate beginning at 10 &#956;M final concentration.
12353	1	Assay of In Vitro Kinase Activity	1. Purpose of the Assay:The ability of the compound to inhibit ERK1 and ERK2 kinase activity was measured.2. Assay Buffer:20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM ethylenebis(oxyethylenenitrilo)tetraacetic acid (EGTA), 0.02% Brij35, 0.02 mg/mL bovine serum albumin (BSA), 0.1 mM Na3VO4, 2 mM dithiothreitol (DTT), 1% DMSO.3. Processing of Compound:The assay compound was dissolved in 100% DMSO to prepare a stock solution of specific concentration. The compound was serially diluted in DMSO solution using Integra Viaflo Assist smart pipette.4. Method of the Assay;1) The substrate MBP was prepared in freshly prepared reaction buffer;2) ERK1 (or ERK2) kinase was added to the above-mentioned MBP solution and mixed gently;3) The compound dissolved in 100% DMSO was added to the kinase reaction system using ultrasound technology (Echo550; nanoliter range), and the mixture was incubated at room temperature for 20 minutes;4) 33P-ATP (specific concentration of 10 &#956;Ci/&#956;L) was added to the reaction system, and the reaction was started at this time;5) The mixture was incubated at room temperature for 2 hours;6) The amount of radioactivity was detected by filter-binding method;7) ERK1 (or ERK2) kinase activity was calculated as the ratio of the remaining kinase activity in the assay sample to the kinase activity of the control group (treated by DMSO). Curve was fitted using Prism (GraphPad software) and IC50 values were calculated.
12349	2	Measuring FAAH Inhibition Potency	MAGL inhibitor compounds were also counter-screened for FAAH inhibition potency using the following assay. Assessment of FAAH inhibition was performed using Fatty Acid Amide Hydrolase Inhibitor Screening Assay Kit (Cayman Item No. 10005196) following manufacture&#39;s instruction with some modifications. The kit utilizes human recombinant FAAH and the fluorescent substrate, AMC Arachidonoyl amide (AAMCA). 5 &#956;L of assay buffer (125 mM Tris, pH 9.0, 1 mM EDTA, i.e. ethylenediaminetetraacetic acid) was added to a 384-well black plate (Corning, 3573). Test compounds and control inhibitor JZL-195 (Cayman Chemical, 13668) were tested in 10-concentration IC50 mode with 3-fold serial dilution at a starting concentration of 100 &#956;M and 10 &#956;M, respectively. 300 nL or 30 nL of test compounds were delivered into a 384-well black plate (Corning, 3573) using a Labcyte Echo, followed by addition of 15 &#956;L of FAAH enzyme (Cayman, 700302) in assay buffer. After a 5-minute pre-incubation at room temperature, 10 &#956;L of AAMCA was added in assay buffer to start the reaction. Final concentration of FAAH enzyme is not specified and AAMCA substrate was used at the 20 uM. After these dilutions, the final concentration of the test compounds ranged from 100 &#956;M to 5.08 nM or 10 &#956;M down to 0.508 nM. The reaction was allowed to progress for 60 minutes, while the plate was read on an Envision plate reader at an Ex/Em of 350/460 nm with readings every minute. The data was analyzed in Microsoft Excel, using the slope between 30 and 59 minutes. The average of the no-enzyme wells (background) was subtracted from the data.
12354	1	TBD	TBD
12355	1	SyncroPatch 384 (Nanion) High Throughput Electrophysiology	Human Kv7.2, Kv7.4 or Kv7.5/7.3 channels were evaluated using a voltage protocol in which cells were voltage-clamped at a holding potential of -60 mV. Potassium currents were continuously activated with a series of three voltage steps to -30 mV for 3 seconds, 40 mV for 1 second and -90 mV for 4 seconds with 12 seconds between successive voltage sweeps. Potassium currents were measured from the -90 mV repolarizing step. Baseline current was assessed for 3.5 minutes prior to the addition of 5.6 uM zinc pyrithione (1 uM for Kv7.4). Kv7.2, Kv7.4 or Kv7.5/7.3 current in the presence of zinc pyrithione was acquired over five minutes to allow channels to reach steady state activity prior to addition of test agents. Channel activity was monitored for three minutes preceding the addition of 30 uM ML-213 (3 minutes) to achieve maximum activation. 150 mM TEA with 10 uM XE-991 was applied for 2 minutes to measure the leak current during maximum inhibition of Kv7.2, Kv7.4 or Kv7.5/7.3 channels.
12356	1	Biochemical Assay	Recombinant DHX9-Human recombinant DHX9 protein was custom ordered from Viva.RNA substrate—Oligos for double-stranded RNA substrate were custom ordered from IDT Technologies. (Oligol-GCCUGGUCCCUGUCCUUGUUAUUUUCCUUGGUUAAUU (SEQ ID NO:1). Oligo2-GAAUUAACCAAGGAAAAUAACAAGGACAGGGACCAGG (SEQ ID NO:2)). Each oligo was reconstituted in RNAse/DNAse-free water to achieve a 100 uM solution. The two oligo solutions were mixed in 1:1 ratio and annealed by heating at 70° C. for 5 minutes and cooling gradually to room temperature on the benchtop.Chemicals and Assay Components—Aurintricarboxylic Acid and dimethylsulfoxide were purchased from Sigma-Aldrich (St. Louis, MO). White 384-well assay plates (Catalog #781075) were obtained from Greiner Bio-One (Frickenhausen, Germany). The ADP-Glo™ kinase assay kit from Promega Corporation is composed of ADP-Glo reagent, kinase detection reagent (made by mixing kinase detection buffer with a lyophilized kinase detection substrate), Ultra Pure ATP and ADP.
12357	1	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Vitamin D Receptor (VDR) Coactivator Assay	A VDR ligand binding domain tagged with GST (VDR-LBD(GST)), a fluorescein-TRAP220/DRIP-2-bound coactivator peptide (Fluorescein-peptide), LanthaScreen Tb-anti-GST (Goat) antibody (Tb-anti-GST), TR-FRET co-regulator buffer G, and DTT solution were used from LanthaScreen TR-FRET VDR Coactivator Assay Kit, which was purchased from Invitrogen. Each of the compounds synthesized as described above was dissolved in dimethyl sulfoxide (DMSO for molecular biology, Sigma Aldrich). The solution was diluted to a desired concentration with TR-FRET co-regulator buffer G containing 1 mass % of DMSO. The receptor-tracer-antibody complex solution was added to the compound solution in each well (20 &#956;L) such that each well contained 1.0 nM of VDR-LBD(GST), 2.0 nM of Tb-anti-GST, and 100 nM of Fluorescein-peptide. The resulting mixture was incubated at room temperature for 2 hours. Each well was measured for TR-FRET using a microplate reader (Infinite F200 PRO, Tecan) equipped with an excitation filter at 340 nm (30 nm bandwidth), a terbium emission filter at 495 nm (10 nm bandwidth), and a tracer emission filter at 520 nm (25 nm bandwidth). On the basis of the resulting data, the 50% effective concentration (EC50) of each compound was calculated and evaluated using a graph plotting program (GraphPad Prism ver. 8.2.0) with the saturated activity of natural active vitamin D3 being normalized to 100%.
12358	1	SERT Uptake Inhibition	The ability of test compounds to block monoamine uptake by SERT was determined using the Neurotransmitter Transporter Uptake Assay Kit manufactured by Molecular Devices (Cat #R8173). Briefly, stably transfected HEK293 cells expressing SERT were grown and plated into 384-well plates at a concentration of 20,000 cells per well. Plates were then incubated for 16-20 h at 37° C. and 5% CO2. The medium was then aspirated and replaced with 25 &#956;L of assay buffer (20 mM HEPES in HBSS, containing 0.1% BSA) containing the test compounds at the appropriate concentrations. Plates were then centrifuged at 300 rpm for 15 s and then incubated at 37° C. for 30 minutes. At this time, 25 &#956;L of the proprietary fluorescent dye solution was added, the plates were incubated at 37°° C. for 60 minutes, and then fluorescence was quantified on a plate reader (excitation wavelength =440 nm, emission wavelength=520 nm). The proprietary dye solution contains a mixture of 1) a fluorescent dye (dye 1) that mimics the endogenous substrate of SERT and is thereby actively transported to the intracellular compartment in the absence of an inhibitor and 2) a masking dye that inhibits the fluorescence of dye 1 in the extracellular compartment. Therefore, the overall fluorescence of the system increases as the fluorescent dye is transported into the cells. In the presence of an inhibitor of SERT, uptake of the dye is reduced, and therefore, the fluorescence is also decreased, allowing this inhibition to be quantified.
12359	1	Lipoxygenase UV-Vis-based IC50 Assay	The full IC50 experiments were done with at least five different inhibitor concentrations. All reaction mixtures were 2 mL in volume and constantly stirred using a magnetic stir bar at room temperature (23° C.) with the appropriate amount of LOX isozyme [h5-LOX (&#152;200 nM); h12-LOX (50 nM); h15-LOX-1 (60 nM); h15-LOX-2 (200 nM)]. The protein concentrations are the total protein concentration; active protein concentration can be significantly less due to incomplete metalation. Reactions with h12-LOX were carried out in 25 mM HEPES (pH 8.0) 0.01% Triton X-100 and 10 &#956;M AA. Reactions with the crude, ammonium sulfate precipitated h5-LOX were carried out in 25 mM HEPES (pH 7.3), 0.3 mM CaCl2), 0.1 mM EDTA, 0.2 mM ATP, 0.01% Triton X100 and 10 &#956;M AA. Reactions with h15-LOX-1 and h15-LOX-2 were carried out in 25 mM HEPES buffer (pH 7.5), 0.01% Triton X-100 and 10 &#956;M AA. The concentration of AA was quantitated by allowing the enzymatic reaction to proceed to completion in the presence of soybean 15-LOX-1 (s15-LOX-1).
12360	1	In Vitro Activity Assay	1. Experimental Steps1) Solution Preparation10% BSA (Bovine Serum Albumin)10 g of BSA was dissolved in 100 mL of double-distilled water (ddH2O) to obtain 10% BSA.10 mM ODQ Stock Solution1 mg of ODQ powder was weighed and dissolved in 534 &#956;L of DMSO to prepare 10 mM ODQ solution. The solution was aliquoted and stored in a &#8722;20° C. refrigerator. Washing Buffer (50 mL) Volume Final concentration49 mL of Earls balanced 1xsalt solution (EBSS)500 &#956;L of 1M hydroxyethyl piperazine 10 mMethanesulfonic acid (HEPES)250 &#956;L of 10% BSA stabilizer 0.05%250 &#956;L of 1M MgCl2&#8194;5 mMAssay Buffer (50 mL)Volume. Final concentration 48.95 mL of Earls balanced 1xsalt solution (EBSS)500 &#956;L of 1M hydroxyethyl piperazine 10 mMethanesulfonic acid (HEPES)250 &#956;L 10% BSA 0.05%50 &#956;L of 500 mmol/L 0.5 mM&#8201;isobutylmethylxanthine (IBMX)250 &#956;L of 1M MgCl2&#8194;5 mM Detection Buffer) 50 &#956;L of cGMP-D2 (D2-labeled cyclic guanosine monophosphate) was added to 1 mL of lysis buffer and mixed thoroughly.b) 50 &#956;L of anti-cGMP cryptate (Eu3+ cryptate-labeled anti-cyclic guanosine monophosphate antibody) was added to 1 mL of lysis buffer and mixed thoroughly.2) Compound Dilution(1) The compound was diluted to a concentration of 10 mM using DMSO.(2) A serial dilution of the compound was performed, resulting in 10 different concentration levels of each compound. 100 nL of each diluted compound was added to a 96-well plate.3) Preparation of LNCap Cells(1) LNCap culture medium: RPMI1640 supplemented with 10% fetal bovine serum (FBS) and 1% double antibody(2) The phosphate-buffered saline (PBS), trypsin, and culture medium for use in cell passage were preheated in a 37° C. water bath.(3) Cells were removed from a 37° C., 5% Co2 incubator, and the old culture medium was removed from the culture flask using a pipette.(4) 5 mL of PBS was pipetted into the flask for rinsing the cells, and then the liquid was discarded.(5) 3 mL of trypsin was pipetted into the flask. After shaking, the liquid was discarded, and the flask was returned to the incubator.(6) Approximately 2 minutes later, the flask was retrieved, and cell detachment was observed. 9 mL of culture medium was pipetted into the culture flask and mixed by repetitive pipetting. The cell suspension was then transferred to a 50 mL centrifuge tube.(7) 0.7 mL of cell suspension was pipetted into a counting chamber, and cell counting was performed using the ViCell XR. The remaining cells were centrifuged at 1000 rpm for 5 minutes, and the supernatant was discarded.(8) 10 mL of washing buffer was added to wash the cells, followed by another centrifugation at 1000 rpm for 5 minutes, after which the supernatant was discarded.(9) Assay buffer was added, and the cell concentration was adjusted to 3×106/mL.
12361	1	HPK Kinase Activity Assay at 1 mM ATP	Compounds disclosed herein were tested for inhibition of HPK1 kinase (aal-346. Life Technologies) activity in assays based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assays were carried out in 384-well low volume black plates in a reaction mixture containing HPK1 kinase (40 nM), 1 mM ATP, 0.5 &#956;M STK1 substrate and 0-10 &#956;M compound in buffer containing 50 mM HEPES, 0.01% BSA, 0.1 mM Orthovanadate, 10 mM MgCl2, 1 mM DTT, pH=7.0, 0.005% Tween-20. The kinase was incubated with the compounds disclosed herein or DMSO for 60 minutes at room temperature and the reaction was initiated by the addition of ATP and STK1 substrate. After reaction at room temperature for 120 minutes an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (CisBio). The stop/detection solution contained STY Antibody-Cryptate and XL665-conjugated streptavidin in Detection Buffer. The TR-FRET signals (ratio of fluorescence emission at 665 nm over emission at 620 nm with excitation at 337 nm wavelength) were recorded on a PHERAstar FS plate reader (BMG Labtech). Phosphorylation of STK1 substrate led to the binding of STK Antibody-Cryptate to the biotinylated STK1 substrate, which places fluorescent donor (Eu3+ crypate) in close proximity to the accepter (Streptavidin-XL665), thus resulting in a high degree of fluorescence resonance energy transfer. The inhibition of HPK1 in presence of increasing concentrations of compounds was calculated based on the ratio jo of fluorescence at 665 nm to that at 620 nm.
12362	1	In Vitro Biochemical Quantification of Covalent Modification of KRASG12C	Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained DMSO with no test compound, and another column was designated as the low signal control (maximal inhibition), and contained no protein. Serial dilutions of compounds to be tested were added to the assay plate (resulting in duplicate 11-point dose response with semi-log compound dilutions from 50 &#956;M to 0.5 nM or from 5 &#956;M to 0.05 nM for the most potent compounds). A 1/20 isotopic dilution of labeled (Compound B) and non-labeled covalent (Compound A) probe was prepared and added to all wells on the plate. The reaction was started by addition of KRasG12C (M1-K169, biotinylated on the N-terminus) to the compounds and incubated for 2 hours with continuous agitation allowing for full modification of KRasG12C with probe or test compounds. Final concentrations in an assay volume of 40 &#956;L were 10 nM KRasG12C, 25 nM radio-ligand and 475 nM unlabelled ligand. The assay buffer contained 20 mM Tris-HCl pH 7.5 (Invitrogen), 150 mM NaCl (Sigma Aldrich), 0.1 mM MgCl2 (Sigma Aldrich), and 0.01% Tween-20 (Sigma Aldrich). Following addition of 50 &#956;L of a 400 &#956;g/mL suspension of streptavidin-coated YSi beads (Perkin Elmer), plates were incubated for a further 30 min with continuous agitation before reading the plates on a scintillation counter (Topcount NXT 384 (Packard).
12363	1	Isothermal Titration Calorimetry Experiments	ITC experiments were performed at 25° C. on a MicroCal iTC200 system (Malvern, PA, USA). hRpn13 Pru, XL5, XL5 derivative, or RA190 were prepared in buffer C. One aliquot of 0.5 &#956;L followed by 17 or 18 aliquots of 2.1 &#956;L of 200 &#956;M hRpn13 Pru was injected at 750 r.p.m. into a calorimeter cell (volume 200.7 ml) that contained 20 &#956;M XL5, XL5 derivative, or RA190. Blank experiments were performed by replacing XL5, XL5 derivative, or RA190 with buffer in the cell and the resulting data subtracted from the experimental data during analyses. The integrated interaction heat values were normalized as a function of protein concentration and the data were fit with MicroCal Origin 7.0-based software implementing the “One Set of Sites” model to yield binding affinity Ka (1/Kd), stoichiometry, and other thermodynamic parameters. 
12364	1	Inhibition of Fabl Protein	Inhibition of Fabl enzyme from Acinetobacter baumannii and Escherichia coli was tested by measuring the rate of NADH consumption (Aabsorbance at 340 nm/min) at 30° C. in 96-well plate format using an automated plate reader in the presence or absence of the test compounds. The assay mixture contained 100 mM Tris-HCl, pH 7.25 (A. baumannii) or 7.5 (E. coli), 100 mM ammonium acetate, 0.02% (A. baumannii) or 0.05% (E. coli) Pluronic F-68, 25 &#956;M crotonyl ACP, 50 &#956;M NADH, 25 &#956;M (A. baumannii) or 50 &#956;M (E. coli) recombinant Fabl protein, and 7.5% DMSO. Test compounds were added at concentrations ranging from 0.17 to 10,000 nM in a final well volume of 100 &#956;l. This dose-response inhibitory assay was performed using a 10-point, serial dilution series for each test compound. IC50 values for each test compound were assigned from logistical sigmoid curve-fitting of the inhibition dose response curves.
12365	1	Binding Affinity Assay	An appropriate amount of homogenization buffer was added to the prepared membrane, and was dispersed into a suspension using a homogenizer, protein concentration was measured to be 4 mg/ml. 100 micrograms of protein were added to each well of a 96-well plate, with a volume of 90 &#956;l. 1 &#956;l of the compound was added to the test wells (the highest final concentration is 10 &#956;M, diluted fourfold, across 10 concentrations), followed by 1 &#956;l buffer to the HPE wells, and 1 &#956;l of haloperidol (MedChemExpress, Cat #HY-14538) to the HPE wells (final concentration of 1 &#956;M). [3H]-(+)-pentazocine (Perkin-Elmer, Cat #NET1056250UC) was added to each well (final concentration of 10 nM). The 96-well plate was incubated in a constant temperature water bath (25° C., 180 minutes). After incubation, the suspension was quickly filtered in the 96 wells through a GF/C plate prepared in advance with 0.25% PEI solution using vacuum filtration, followed by washing the GF/C three times with assay buffer. After washing, the samples were dried in a 37° C. oven. 50 &#956;l/well of scintillation fluid (Perkin Elmer, Cat #6013621) was added to the GF/C plate. The GF/C plate was placed into a liquid scintillation counter (Perkin Elmer 1450 MicroBeta TriLux) and operated according to the program to read the experimental values.
12366	1	Biological Activity Test Assay	TRPC5 is a type of non-selective cation channel with permeability to calcium ions. Therefore, TRPC5 agonist Englerin A (EA) and TRPC5 inhibitor Pico145 were used as positive controls in this experiment. Fluo-4 AM fluorescence dye was used to indirectly reflect the effect of the compound on TRPC5 channel by detecting intracellular Ca21 in TRPC5-HEK 293 cells.1. Cell culture1.1 Revival of TRPC5-HEK 293 cellsRevival solution: 100% high glucose DMEMSelection medium: high glucose DMEM+10% FBS+1% P/S+1% HEPES+Blasticidin (5 &#956;g/mL)+Hygromycine (50 &#956;g/mL)Induction medium: high glucose DMEM+10% FBS+1% P/S+1% HEPES+Doxycycline (1 &#956;g/mL).Revival process: A cryopreservation solution containing TRPC5-HEK 293 cells was taken out from the liquid nitrogen tank, and transferred from the ice box to the water bath, and then dissolved in circles to a small piece of ice, and the cryopreservation solution was transferred to the revival solution, and centrifuged at 1000 rpm for 5 minutes, and then the supernatant was discarded, then the residue was transferred to the selection medium, and expanded in a CO2 incubator (5% CO2, humidity of 95%, 37° C.).1.2 Seeding TRPC5-HEK 293 cells in plates14 hours before the real-time fluorescence experiment, cells were washed with PBS and digested with trypsin-EDTA (TE). Cells were diluted to 200,000 cells/mL with induction medium and seeded onto a 96-well black wall bottom transparent plate coated with poly-D-lysine (PDL) (stock solution of 10 mg/mL, final concentration of 10 &#956;g/mL) at 100 &#956;L/well, i.e., 20,000 cells/well.2. Preparation of buffer500 mL of external solution for detecting TRPC5 calcium signals: 4.0908 g of NaCl, 0.1864 g of KCl, 0.111 g of CaCl2, 0.0476 g of MgCl2, 0.9 g of glucose, 1.1915 g of HEPES (2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid).Calcium fluorescent dye: an external solution for detecting TRPC5 calcium signals containing Fluo-4 with a final concentration of 4 &#956;M (containing 0.5% BSA)
12367	1	Enzyme Inhibition Assay	For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate. Dose-response curves were fit using Prism, and the IC50, the concentration at which enzyme inhibition is 50% of maximal inhibition, was determined. 
12368	1	SOS-Catalyzed Nucleotide Exchange Assay (version 1)	Recombinant KRAS G12C (amino acids 1-169, SEQ ID NO:1), KRAS G12D (amino acids 1-169, SEQ ID NO:2), KRAS G12V (amino acids 1-169, SEQ ID NO:3) and SOS1 (amino acids 564-1049, SEQ ID NO:4) proteins were expressed in E. coli and purified by affinity chromatography. To prepare each BODIPY FL GDP-bound KRAS mutant protein, 50 uM KRAS mutant proteins were incubated with 0.5 mM BODIPY FL GDP (Invitrogen, G22360) in a loading buffer (20 mM Tris-HCl (pH 7.5), 50 mM NaCl, 1 mM DTT and 2.5 mM EDTA) for 1 hour on ice. After the incubation, MgCl2 was added to a final concentration of 10 mM, followed by incubation at room temperature for 30 minutes. The mixtures were allowed to pass through a NAP-5 column to remove free nucleotides and purified BODIPY FL GDP-bound KRAS G12C, G12D and G12V proteins were used for compound evaluation. For the measurement of the inhibitory activity of compounds on GDP-GTP exchange rate of recombinant KRAS mutants, each BODIPY FL GDP-bound KRAS mutant protein whose concentration is 25 nM was incubated with various concentrations of compound in a reaction buffer (20 mM Tris-HCl (pH 7.5), 100 mM NaCl, 1 mM MgCl2, 2 mM DTT, 0.1% Tween 20) at 25 C. for 1 hour. After the incubation, recombinant SOS1 and GMPPNP (Jena Bioscience GmbH, NU-401) were added and incubated at room temperature for 30 minutes to proceed SOS1-dependent GDP-GTP exchange reaction on KRAS mutants.
12368	2	SOS-Catalyzed Nucleotide Exchange Assay (version 2)	Recombinant KRAS G12C (amino acids 1-169, SEQ ID NO:1), KRAS G12D (amino acids 1-169, SEQ ID NO:2), KRAS G12V (amino acids 1-169, SEQ ID NO:3) and SOS1 (amino acids 564-1049, SEQ ID NO:4) proteins were expressed in E. coli and purified by affinity chromatography. To prepare each BODIPY FL GDP-bound KRAS mutant protein, 50 uM KRAS mutant proteins were incubated with 0.5 mM BODIPY FL GDP (Invitrogen, G22360) in a loading buffer (20 mM Tris-HCl (pH 7.5), 50 mM NaCl, 1 mM DTT and 2.5 mM EDTA) for 1 hour on ice. After the incubation, MgCl2 was added to a final concentration of 10 mM, followed by incubation at room temperature for 30 minutes. The mixtures were allowed to pass through a NAP-5 column to remove free nucleotides and purified BODIPY FL GDP-bound KRAS G12C, G12D and G12V proteins were used for compound evaluation. For the measurement of the inhibitory activity of compounds on GDP-GTP exchange rate of recombinant KRAS mutants, each BODIPY FL GDP-bound KRAS mutant protein whose concentration is 2.5 nM was incubated with various concentrations of compound in a reaction buffer (20 mM Tris-HCl (pH 7.5), 100 mM NaCl, 1 mM MgCl2, 2 mM DTT, 0.1% Tween 20) at 25 C. for 1 hour. After the incubation, recombinant SOS1 and GMPPNP (Jena Bioscience GmbH, NU-401) were added and incubated at room temperature for 30 minutes to proceed SOS1-dependent GDP-GTP exchange reaction on KRAS mutants.
12369	1	MEK1-Inhibiting Activity Assay	The MEK1-inhibiting activity of the compounds listed in Table 6 below were evaluated by the fluorescent polarization method as described below. The test compound, CRAF (Thermo Fisher Scientific Inc.), MEK1 (Thermo Fisher Scientific Inc.) and ERK2 (Carna Biosciences, Inc.) were mixed in ATP-containing buffer and reacted for 60 minutes at 30° C. FAM-labeled ERKtide (Molecular Devices Corp.) was then added and reaction was continued for 45 minutes at 30° C. IMAP (registered trademark) Progressive Binding Reagent (Molecular Devices Corp.) was further added, and reaction was continued for 15 minutes at room temperature. Following the reaction, the fluorescent polarization was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control.
12369	2	BRAF-Inhibiting Activity Assay	The BRAF-inhibiting activity of the compounds listed in Table 6 below was evaluated by the time-resolved fluorescence-fluorescence resonance energy transfer assay as described below. The test compound, BRAF (Eurofins Genomics KK.) and MEK1 (Thermo Fisher Scientific Inc.) were mixed in ATP-containing buffer and reacted for 90 minutes at 30° C. LANCE (registered trademark) Eu-Phospho-MEK1/2(Ser217/221) antibody (Perkin-Elmer) was then added, and reaction was continued for 60 minutes at room temperature. Following the reaction, the fluorescence resonance energy transfer was measured with a fluorescent plate reader and the 50% inhibition concentration (IC50) was calculated based on the percent inhibition relative to a test compound-free control.
12370	1	Competition Binding Aassay	Competition binding assays were carried out in 96-well polypropylene plates in a final volume of 250 &#956;L per well. To each well was added 150 &#956;L membranes, 50 &#956;L of test compound, non-specific compound or buffer, and 50 &#956;L radioligand solution in buffer. The plate was incubated at 30° C. for 90 minutes with gentle agitation. The incubation was stopped by vacuum filtration onto presoaked (wash buffer with PEI) GF/C filters using a 96-well FILTERMATE™ harvester, followed by 5 washes with ice-cold wash buffer. Filters were then dried under a warm air stream, sealed in polyethylene, scintillation cocktail added, and the radioactivity counted in a WALLAC® TriLux 1450 MicroBeta counter. For each concentration of drug, non-specific binding was subtracted from total binding to give specific binding. Data was fitted using the non-linear curve fitting routines in PRISM® (Graphpad Software Inc) to determine IC50. Ki was subsequently calculated using the ChengPrusoff equation.
12371	1	Inhibitory Effects on Human Renin Activity Assay	Briefly, human recombinant renin (from the kit) was incubated with the compound of the disclosure or buffer for 30 min at 37° C. before substrate addition. Fluorescence intensity was measured at 530 nm after an incubation of 15 min at 37° C. Data was analyzed by Prism and fitted into a sigmodal curve for IC50 calculation.
12372	1	HTRF Assay	As further confirmation of the results of the NMR assay and to classify the compounds of the invention based on their in vitro ability to inhibit PD-1/PD-L1 interaction, a homogeneous fluorescence binding assay resolved over time (HTRF) was used. This assay allows a simple and rapid characterisation of the inhibitors in a high-throughput format. Basically, it uses labelled human recombinant immune checkpoint partners (hPD1 and hPD-L1) and labelled anti-tag reagents for HTRF detection. In more detail, the interaction between hPD-L1 (Tag 1) and hPD1 (Tag2) is detected using Europium-labelled anti-Tag1 (HTRF donor) and XL665-labelled anti-Tag2 (HTRF acceptor). After hPD-L1 binds hPD1, the donor and acceptor antibodies are in close proximity, so excitation of the donor antibody triggers fluorescence resonance energy transfer (FRET) towards the acceptor antibody, which in turn specifically emits at 665 nm. This signal is directly proportional to the extent of the hPD1/hPD-L1 interaction. Thus, the compounds capable of inhibiting the PD1/PD-L1 interaction induce a reduction in HTRF signal.
12373	1	Homogenous Time-Resolved Fluorescence (HTRF) Assay	TRF assay buffer consisting of dPBS supplemented with 0.1% (w/v) bovine serum albumin and 0.05% (v/v) Tween-20. For the PD-1-Ig/PD-L1-His binding assay, inhibitors were pre-incubated with PD-L1-His (10 nM final) for 15 m in 4 &#956;l of assay buffer, followed by addition of PD-1-Ig (20 nM final) in 1 &#956;l of assay buffer and further incubation for 15 m. PD-L1 fusion proteins from either human, cynomologous macaques, mouse, or other species were used. HTRF detection was achieved using europium crypate-labeled anti-Ig monoclonal antibody (1 nM final) and allophycocyanin (APC) labeled anti-His monoclonal antibody (20 nM final). Antibodies were diluted in HTRF detection buffer and 5 &#956;l was dispensed on top of binding reaction. The reaction was allowed to equilibrate for 30 minutes and signal (665 nm/620 nm ratio) was obtained using an EnVision fluorometer.
12374	1	ATX Inhibitory Activity Assay	The biochemical reaction consisted of 50 mM Tris (pH 8.0), 3 mM KCl, 1 mM CaCl2, 1 mM Mg Cl2, 0.14 mM NaCl and 0.1% bovine serum albumin, which was supplemented with 5 nM recombinant rat ATX, 5 &#956;M 18:1 LPC and the test compound (0.1-10 &#956;M). The reaction was stopped at 2 h by the addition of butanol, prior to the RapidFire-MS-based analysis.
12375	1	Inhibitory Activity of Compounds on HDAC1, 2 and 3	a) Formulation of 100% solution: 50 &#956;L of HDAC buffer was mixed with 10 &#956;L of enzyme solution, 40 &#956;L of substrate was added after 5 minutes and the above materials reacted at 37° C. for 30 minutes, then 100 &#956;L of trypsin termination solution was added to terminate the above reaction, and the reaction was carried out at 37° C. for 20 minutes, the fluorescence intensity was measured at 390 nm/460 nm to obtain 100% absorbence. AMC was used as the standard to create a standard curve and calculate enzyme activity.b) Formulation of blank solution: 60 &#956;L of HDAC buffer was added with 40 &#956;L of substrate, and the above materials reacted at 37° C. for 30 minutes, then 100 &#956;L of trypsin termination solution was added and the reaction was carried out at 37° C. for 20 minutes, the fluorescence intensity was measured at 390 nm/460 nm to obtain blank absorbence.6. The determination steps for drug inhibition of HDAC enzyme activity: 50 &#956;L of HDAC buffer containing a drug was mixed with 10 &#956;L of enzyme solution and pre-incubated for 5 minutes, 40 &#956;L of substrate was added and then the above materials reacted at 37° C. for 30 minutes, then 100 &#956;L of trypsin termination solution was added to terminate the above reaction, and the reaction was carried out at 37° C. for 20 minutes, and the fluorescence intensity was measured at 390 nm/460 nm.
12376	1	KRAS G12D Binding Assay	The binding ability of the compound to KRAS G12D protein was detected by TR-FRET method, and the inhibitory activity of the compound on KRAS G12D protein was evaluated. Human KRAS G12D His-tagged (Cisbio, 63ADK000CB27PEG) protein was 100-fold diluted with PPI Eu detection buffer (Cisbio, 61DB9RBF), then 5 &#956;L of which was added to a 384-well plate and centrifuged at 2000 rpm for 40 seconds. A 10 mM concentrated stock solution of the test compound was prepared with dimethyl sulfoxide, 3-fold serially diluted, then diluted to make a working solution (0.5% DMSO) with PPI Eu detection buffer, added to a 384-well plate at 5 &#956;L/well, with the control group added with 0.5% dimethyl sulfoxide and the highest concentration of the test compound at 10 &#956;M, and centrifuged at 2000 rpm for 40 seconds. An 80 nM GDP standard working solution (Cisbio, 63ADK000CB27PEG) was prepared with PPI Eu detection buffer and added to a 384-well plate at 5 &#956;L/well, with the final concentration of GDP standard working solution at 20 nM. The plate was centrifuged at 2000 rpm for 40 seconds and reacted at room temperature for 30 minutes. 1×6His Eu cryptate antibody and GTP-Red reagent (Cisbio, 63ADK000CB27PEG) were prepared with PPI Eu detection buffer, mixed in a volume ratio of 1:1, 5 &#956;L of which was then added to a 384-well plate, centrifuged at 2000 rpm for 40 seconds, and incubated at room temperature for 30 minutes.
12377	1	Pol&#952; ATPase assay 	The Pol&#952; ATPase assay was used to evaluate inhibitors of Pol&#952; ATPase activity, in vitro. Experiments were performed using a truncated Pol&#952; protein (Pol&#952;-Hel containing the helicase domain (67-894), ATP and a DNA single strand Oligo (5&#8242;-CTGTCCTGCATGATG-3&#8242;) in the Pol&#952; assay buffer (20 mM Tis-HCl (pH 8.8), MgCl2 5 mM, tween20 0.01%, NP40 0.01%, BSA 0.01%, DTT 1 mM). 2 &#956;L of assay buffer containing Pole-Hel protein (0.5 nM) and DNA substrate (500 nM) was transferred into assay ready plates, containing 0.04 &#956;L of compounds diluted in DMSO. After a 30 minutes incubation at 23° C. in the dark, the reaction was triggered by adding 2 &#956;L of ATP (60 &#956;M), in assay buffer. After 60 minutes at 23° C., 4 &#956;l of ADP-Glo™ Reagent (Glo 1) was added followed by 40 minutes of incubation, then 8 &#956;l of ADP-Glom kinase Detection Reagent (Glo 2) followed by 60 minutes of incubation at 23° C. Luminescence was then measured using Tecan F200 infinite plate reader.
12378	1	Assay of Activity of Inhibiting KRAS (G12D)	1) The concentration of a stock solution of the control compound was 1 mM, and the concentration of a stock solution of compounds to be assayed was 10 mM. 9 &#956;L of the control compound and compounds to be assayed were transferred to a 384-LDV plate;2) The compounds on the LDV plate were serially diluted 3-fold with Bravo to 10 concentrations;3) 9 nL of the compounds on the LDV plate were transferred to an assay plate using ECHO;4) 3 &#956;L of 3 nM Kras/0.5 nM TB-SA/30 nM BodipyGDP mixture and 3 &#956;L of Ras buffer were sequentially added to each well of the assay plate using a Dragonfly automatic sampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;5) The assay plate was incubated at room temperature for 1 hour;6) 3 &#956;L of 120 nM SOS/9 mM GTP mixture was added to each well of the assay plate using a Dragonfly automatic sampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;7) The assay plate was incubated at room temperature for 1 hour;8) The plate was read with Envision and data were recorded;9) The data were analysed using Excel and Xlfit, and IC50 of the compounds to be assayed were calculated.
12379	1	SPR Method for Detecting Affinity of Compounds Disclosed Herein for KRAS Protein Subtype G12D or WT	Biotinylated Avi-KRAS-WT or Avi-KRAS-G12D was diluted to 20 &#956;g/mL with 1x HBS-P+(Cat. #BR1006-71) buffer containing 100 mM MgCl2, and then flowed through SA (Cat. #BR1005-31) biosensing chip channel 2 for 420 s to obtain a coupling level of approximately 5000-7000 RU. Then samples of small molecular compounds were injected for 120 s in an ascending order, and then were dissociated for 720 s. The experiment employed a single-cycle kinetic mode. Reaction signals were detected in real time using a Biacore 8K instrument to obtain association and dissociation curves. After the experiment ended, data analysis was performed using Biacore 8K evaluation software, and affinity data were obtained by performing data fitting using a 1:1 model.
12380	1	Inhibitory Activity Against Mpro	An objective of this experiment is to detect the in vitro inhibitory activity against Mpro of the compound of the present disclosure.Experimental materials:GST-AVLQ-3Clpro-GP-6His (CP, Lot. No. CP20200526001);MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 (GL, Customized); and384-well plate (Perkin Elmer, Cat. No. 6007279).Experimental steps and methods:1. Prepare a 1× buffer solution (modified Tris buffer solution).2. Transfer a to-be-tested compound to the assay plate with Echo&#39;s 100% DMSO solution to a final DMSO content of 0.5%.3. Prepare a mixed protein solution: Add GST-AVLQ-3Clpro-GP-6His in a 1× assay buffer solution to support the mixed protein solution.4. Prepare a mixed substrate solution: Add the polypeptide (MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2) in a 1× assay buffer solution to obtain the substrate solution.5. Add 10 &#956;L of 2× mixed protein solution in the assay plate, centrifuge for 30s, shake for 30s, and incubate the solution at room temperature for 15 min.6. Add 10 &#956;L of 2× mixed substrate solution in the assay plate, centrifuge for 30, and shake for 30s.7. Read the data dynamically on Synergy (Ex320/Em405).
12381	1	TR-FRET Assay	His-tagged TEAD proteins are pre-incubated with TEAD project compounds for 30 minutes or 4 hours at room temperature. Biotinylated lipid pocket probes are then added to the TEAD/Compound mixture and incubated for 60 minutes at room temperature. The lipid pocket probe competes with the test compound for the TEAD lipid pocket until equilibrium is reached. After 60 minutes, Europium labelled anti-His (Perkin Elmer #AD0110) and XL665 labelled streptavidin (CIS Bio 610SAXAC) are added to the TEAD/test compound/lipid pocket mixture and incubated for 30 minutes or 4 hours. TR-FRET values are then measured using an EnVision multi-label plate reader (Perkin Elmer Cat #2104-0010A.) If the lipid pocket probe binds to TEAD as expected, a TR-FRET signal results from the proximity of anti-His Eu and XL665. If a TEAD lipid pocket binder such as binds and displaces the lipid pocket probe, the disruption of the TEAD:probe interaction results in a decrease in TR-FRET signal. The potency of compounds as TEAD lipid pocket binders is determined by IC50 value generated using a non-linear 4 parameter curve fit.
12382	1	Fluorescence Polarization (FP) Assay	In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#151;200 &#956;L to column 1 (blank), 295 &#956;L to column 2, 150 &#956;L to columns 3-12. 5 &#956;L of protein (179.0 &#956;M JAK2-JH2-WT, 154.7 &#956;M JAK2-JH2-V617F, 126.3 &#956;M JAK2-JH1) were added to column 2. 150 &#956;L was transferred, using a multichannel pipette, from column 2 to 3, 3 to 4, 4 to 5, until reaching the last column to make a serial dilutions (1:2). 50 &#956;1 of 24.0 nM tracer were added from columns 2-12 and fluorescence polarization was measured at &#955;exc=485±20 nm, &#955;em=535±25 nm using an Infinite F500 plate reader until no FP variation was observed. From the lowest and highest FP values (tracer free and tracer fully bound to JAK) fraction of ligand bound to the protein to ligand total (Lb/Lt) was calculated for each concentration of the JAK2-JH2-WT, JAK2-JH2-V617F, and JAK2-JH1 (FIGS. 8A-8B). Experiments were carried out by quadruplicates in three independent experiments. The data provided a typical saturation-binding curve and Kd was calculated fitting the results to the Hill equation using Prism 7.
12382	2	Microscale Thermophoresis Assay	MST measurements were performed with a Monolith NT.115Pico device (NanoTemper Technologies). JH2 domain protein (triple mutant W659A, W777A, F794H, or triple mutant W777A, F794H, V617F) was fluorescently labeled with the His-tag labeling kit RED-tris-NTA 2nd generation. All dilutions were prepared with a buffer composed of 20 mM HEPES pH 8.0, 150 mM NaCl, 5% glycerol, and 0.05% Tween. Protein was labeled by incubating a mixture of 150 nM protein and 50 nM dye for 30 min at ambient temperature. MST measurements were performed with protein and dye concentrations adjusted to 30 nM and 10 nM, respectively. The serial dilution of 1 and 10 ranged from 160 &#956;M to 0.00488 for 12 from 20 &#956;M to 0.00488 and for 15 from 20 to 0.00061 &#956;M. The serial dilution of 1 and 10 ranged from 160 &#956;M to 0.00488 and for 12 from 20 &#956;M to 0.00488 &#956;M. All measurement samples contained a constant DMSO concentration of 3%. Measurements were performed with standard capillaries (mutant W659A, W777A, F794H) or premium capillaries (mutant W777A, F794H, V617F), medium MST power, and 5% excitation power at ambient temperature. All measurements were performed in triplicate, and were analyzed with the MO.Affinity Analysis software (NanoTemper).
12383	1	HTRF In Vitro Assay	Each 15 &#956;L HTRF reaction in a 384-well black Proxiplate (Perkin Elmer) contained either 1 nM (data in table 1b) or 10 nM (data in table 1a) Trx-6×His-BCL6 (in house-produced, human BCL6 BTB domain covering amino-acid sequence 5-129), 300 nM BCOR-AF633 peptide (RSEISTAPSSWVVPGP-Cys-AlexaFluor 633-amide, Cambridge Research Biochemical) and 0.5 nM (data in table 1b) or 1 nM (data in table 1a) anti-6×His-Terbium cryptate (CisBio Bioassays, France), in assay buffer (25 mM Hepes pH8, 100 mM NaCl, 0.05% Tween20, 0.5 mM TCEP, 0.05% bovine serum albumin). Test compounds in DMSO or DMSO alone were added to the wells using an ECHO550 acoustic dispenser (Labcyte Inc) to give the appropriate test concentration in 0.7% v/v DMSO final. After 2 hours incubation at room temperature the plate was read on an Envision plate reader (Perkin Elmer) with 337 nm laser excitation, a first emission filter APC 665 nm and a second emission filter Europium 615 nm. The % inhibition at each concentration was calculated by normalising FRET ratio to the appropriate high (DMSO with all reagents) and low (DMSO without BCL6) controls. The compound IC50s were determined using GraphPad Prism 6.0 or Dotmatics (Bishops Stortford, UK) software by fitting the normalised data to a sigmoidal four-parameter logistic fit equation.
12384	1	CDK7 Kinase Activity Assay	Representative compounds of the present invention were assayed in vitro for CDK7 kinase-inhibitory activities using ADP-Glo platform. In detail, CDK7 kinase-inhibitory activity was measured using recombinant purified human CDK7 kinase (ThermoFisher, PV3868) and ADP Glo kinase assays kit (Promega, V9102). CDK7 kinase was diluted with 1× kinase reaction buffer (40 mM Tris-C1, pH 7.5, 20 mM MgCl2, 0.1 mg/ml BSA and 50 [M DTT) and added to 96 well plates (final concentration of CDK7 per reaction: 50 ng). The compound was finally treated to be a 1% DMSO aqueous solution, and a substrate cocktail containing ATP (final concentration of 90 [M) and 0.2 &#956;g/&#956;l of MBP (Myelin basic protein) in a total of 25 &#956;l of reaction mass was added to 96 well plates, thereby initiating an enzymatic reaction. After 2 hours of incubation (30° C.), equivalent volume (25 &#956;l per reaction) of ADP Glo was added and incubated (30° C.) at room temperature for 60 minutes. The kinase detection reagent (50 &#956;l per reaction) was then added and incubated (30° C.) at room temperature for 30 minutes. The kinase activity was measured by chemiluminescence method according to ADP Glo Kanease Assay Kit instruction manual, and the CDK7-inhibitory activity of the compounds according to the present invention was calculated. The result analysis of each compound was performed using Microsoft Excel, and IC50 values were calculated by Prism software.
12385	1	In Vitro Assay (Protocol 1)	Compounds of Formula (I), were diluted in eight concentrations in the extracellular solution composed of physiological saline, buffered with HEPES (mM): NaCl, 137; KCl, 4; CaCl2, 3.8; MgCl2, 1; HEPES, 10; Glucose, 10; pH 7.4. The extracellular solution is composed of (mM) CsCl, 50; CsF, 90; MgCl2, 5; EGTA, 5; HEPES, 10; pH 7.2. The duration of exposure of each compound with the cells expressing Nav 1.7 or Nav 1.8 was at least five minutes and the assays were performed at room temperature.The measurements of the sodium currents of Nav 1.8 and Nav 1.7 were obtained using the voltage protocols described below:Protocol 1: A holding voltage of &#8722;90 mV was established followed by a voltage phase of 200 ms to &#8722;120 mV, followed by a voltage step of 10 mV for 1 second for Nav 1.8 or 0 mV for Nav 1.7, followed by a step of &#8722;100 mV for 20 ms, followed by a step of 20 ms for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of &#8722;90 mV.Protocol 2: A holding voltage of &#8722;100 mV was established followed by an inactivation voltage step at &#8722;40 mV for 8 seconds, followed by a &#8722;100 mV step for ms, followed by a 20 ms step for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of &#8722;100 mV.Protocols were repeated at a frequency of 0.1 Hz and current amplitude was quantified over the TP1A phase log. The variation in the peak amplitude of the current was evaluated according to the Formula described below, after exposure of the cells expressing the channels, at each concentration of the different compounds:%&#8290;Block=(1-(ITP&#8290;1&#8290;A,molecule/ITP&#8290;1&#8290;A,basal)×100&#8290;%,where |TP1A, basal, and |TP1A, molecule represent the entry peaks of sodium currents into TP1A prior to exposure to the compound and in the presence of the compound, respectively.
12385	2	In Vitro Assay (Protocol 2)	Compounds of Formula (I), were diluted in eight concentrations in the extracellular solution composed of physiological saline, buffered with HEPES (mM): NaCl, 137; KCl, 4; CaCl2, 3.8; MgCl2, 1; HEPES, 10; Glucose, 10; pH 7.4. The extracellular solution is composed of (mM) CsCl, 50; CsF, 90; MgCl2, 5; EGTA, 5; HEPES, 10; pH 7.2. The duration of exposure of each compound with the cells expressing Nav 1.7 or Nav 1.8 was at least five minutes and the assays were performed at room temperature.The measurements of the sodium currents of Nav 1.8 and Nav 1.7 were obtained using the voltage protocols described below:Protocol 1: A holding voltage of &#8722;90 mV was established followed by a voltage phase of 200 ms to &#8722;120 mV, followed by a voltage step of 10 mV for 1 second for Nav 1.8 or 0 mV for Nav 1.7, followed by a step of &#8722;100 mV for 20 ms, followed by a step of 20 ms for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of &#8722;90 mV.Protocol 2: A holding voltage of &#8722;100 mV was established followed by an inactivation voltage step at &#8722;40 mV for 8 seconds, followed by a &#8722;100 mV step for ms, followed by a 20 ms step for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of &#8722;100 mV.Protocols were repeated at a frequency of 0.05 Hz and current amplitude was quantified over the TP1A phase log. The variation in the peak amplitude of the current was evaluated according to the Formula described below, after exposure of the cells expressing the channels, at each concentration of the different compounds:%&#8290;Block=(1-(ITP&#8290;1&#8290;A,molecule/ITP&#8290;1&#8290;A,basal)×100&#8290;%,where |TP1A, basal, and |TP1A, molecule represent the entry peaks of sodium currents into TP1A prior to exposure to the compound and in the presence of the compound, respectively.
12386	1	In Vitro JOSD1 Activity Assay & Ubiquitin-7-amido-4-methylcoumarin (AMC) Assay	In vitro JOSD1 activity assay was carried out with Ubiquitin-AMC assay. The Ubiquitin-AMC assay was carried out as previously described (Wernig, et al., 2008 Blood, 111(7):3751-9). Human JOSD1 protein was purified according to standard protocols. Recombinant JOSD1 was tested for activity in a Ubiquitin-AMC assay in the presence or absence of inhibitors. For this assay, 10 nM JOSD1 was pre-incubated with different concentrations of inhibitors or DMSO as a control in 50 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) pH 7.6, 0.5 mM ethylenediaminetetraacetic acid (EDTA), 11 &#956;M ovalbumin, 5 mM dithiothreitol (DTT). The reaction was incubated for 6 hours at room temperature prior to the addition of 2 &#956;M Ubiquitin-AMC (Boston Biochem) substrate. The initial rate of the reaction was measured by collecting fluorescence data at one-minute intervals over a 30-minute period using a Clariostar® fluorescence plate reader at excitation and emission wavelengths of 345 and 445 nm, respectively.
12387	1	Fluorescence Polarization (FP) Assay	Compounds were tested in a biochemical binding assay using Menin protein at 2 nM (N6his-tev-Menin_4i80, PB-20-1459) and the substrate cRho110-Ahx-MBM1/MBM2 peptide (UbiQ, UbiQ-Q20201030; cRh110-Ahx-SCRWRFPARPGTTGGGGGGGRRGLGGAPR-QRVPALLLPPG-NH2) at 1 nM.384 Low volume black plates (Corning #4514) were used. 5 &#956;L/well compound or 3% DMSO was added at 10-fold serial dilutions in DMSO from 10 &#956;M. 5 &#956;L/well cRho110-Ahx-MBM1/MBM2 peptide or binding buffer (50 mM Tris pH 7.5, 50 mM NaCl, 1 mM TCEP, 0.01% BGG, 0.01% Brij-35) was added to all wells. 5 &#956;L/well Menin protein or binding buffer (50 mM Tris pH 7.5, 50 mM NaCl, 1 mM TCEP, 0.01% BGG, 0.01% Brij-35) was added to all wells. Plates were read on an EnVision plate reader (Perkin Elmer) with excitation at 480 nm and emission at 535 nm P+S, and measured every 5 minutes for 180 minutes.
12387	2	Muscarinic M2 Receptor Binding Assay	Cell membrane homogenates (60 &#956;g protein) were incubated for 60 minutes at 22° C. with 2 nM [3H]AF-DX 384 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 120 mM NaCl, 5 mM KCl, 5 mM MgCl2, and 1 mM EDTA. Nonspecific binding was determined in the presence of 1 &#956;M atropine. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results were expressed as a percent inhibition of the control radioligand specific binding, from which the Ki was calculated. Data were analyzed using software developed at Cerep (Hill software) and validated by comparison with data generated by the commercial software SigmaPlot®4.0 for Windows® (© 1997 by SPSS Inc.).
12388	1	In Vitro Assay (Protocol 1)	Compounds of Formula (I), were diluted in eight concentrations in the extracellular solution composed of physiological saline, buffered with HEPES (mM): NaCl, 137; KCl, 4; CaCl2, 3.8; MgCl2, 1; HEPES, 10; Glucose, 10; pH 7.4. The extracellular solution is composed of (mM) CsCl, 50; CsF, 90; MgCl2, 5; EGTA, 5; HEPES, 10; pH 7.2. The duration of exposure of each compound with the cells expressing Nav 1.7 or Nav 1.8 was at least five minutes and the assays were performed at room temperature.The measurements of the sodium currents of Nav 1.8 and Nav 1.7 were obtained using the voltage protocols described below: a holding voltage of-90 mV was established followed by a voltage phase of 200 ms to-120 mV, followed by a voltage step of 10 mV for 1 second for Nav 1.8 or 0 mV for Nav 1.7, followed by a step of-100 mV for 20 ms, followed by a step of 20 ms for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of-90 mV. Protocols were repeated at a frequency of 0.1 Hz and current amplitude was quantified over the TP1A phase log. 
12388	2	In Vitro Assay (Protocol 2)	Compounds of Formula (I), were diluted in eight concentrations in the extracellular solution composed of physiological saline, buffered with HEPES (mM): NaCl, 137; KCl, 4; CaCl2, 3.8; MgCl2, 1; HEPES, 10; Glucose, 10; pH 7.4. The extracellular solution is composed of (mM) CsCl, 50; CsF, 90; MgCl2, 5; EGTA, 5; HEPES, 10; pH 7.2. The duration of exposure of each compound with the cells expressing Nav 1.7 or Nav 1.8 was at least five minutes and the assays were performed at room temperature.The measurements of the sodium currents of Nav 1.8 and Nav 1.7 were obtained using the voltage protocols described below: A holding voltage of-100 mV was established followed by an inactivation voltage step at &#8722;40 mV for 8 seconds, followed by a &#8722;100 mV step for 20 ms, followed by a 20 ms step for 10 mV for Nav 1.8 or 0 mV for Nav 1.7 (TP1A) before returning to the holding voltage of-100 mV. Protocols were repeated at a frequency of 0.05 Hz and current amplitude was quantified over the TP1A phase log. 
12389	1	PREP and DPP4 Protease Activity Assay	PREP activity was measured with recombinant human PREP (R&D systems, #4308-SE). The PREP activity assay was performed using the FACS buffer (PBS including 1% FBS, Sigma-Aldrich, Cat #D8537). As substrate 50 &#956;M Z-GP-AMC (Bachem, #4002518) was used. The DPP4 activity assay was performed in DPP assay buffer (25 mM Tris, pH 8.0). Recombinant human DPP4 was purchased from R&D systems (#9168-SE). 20 &#956;M of GP-AMC (Santa Cruz Biotechnology, #115035-46-6) was used as substrate.Fluorescence of AMC (excitation at 380 nm and emission at 460 nm) after cleavage was measured in a kinetic mode for 5 minutes at 37° C. in a SPECTRAmax M5 plate reader. RFU/sec was calculated by SoftMax Pro software and plotted against test compound concentration. Four parameter logistic (4PL) curve fitting and pIC50 calculations were performed using ActivityBase software.
12390	1	Inhibitory Activity of NLRP3	ELISA plate, and incubated at 4° C. overnight. Discard the liquid in the ELISA plate and wash it 4 times with eluent. Add 300 &#956;L/well reagent diluent and incubate the ELISA plate at room temperature for 1.5 hours. Wash the plate with eluent for four times. Then 100 &#956;L/well samples were added to ELISA plate coated with IL1&#946; and incubated at room temperature for 2 h. Wash the plate with eluent for four times. Each well was added with 100 &#956;L detection antibody and incubated at 37° C. for 2 h. Wash the plate with eluent for four times. Add 100 &#956;L of HRP labeled secondary antibody to each well. Incubate at 37° C. for 1 hour. Wash the plate with eluent for four times. Add 100 &#956;L of A+B substrate per well. Incubate at 37° C. for 30 minutes. Add 100 &#956;L STOP solution per well. Gently shake the plate for a few seconds. Read the absorption value at 450 nm on the EnVision multifunction reader and calculate the Inhibitory rate according to the following formula: Inhibition %=(Ave_H-Sample)/(Ave_H-Ave_L). Among them, Ave_H represents the average value of DMSO well, Sample represents the average value of compound well, and Ave_L represents the average value of 10 &#956;M positive control well. The log value of concentration was taken as the X-axis and the percentage inhibitory rate as the Y-axis. The dose-effect curve was fitted with log (inhibitor) vs. response-Variable slope from software GraphPad Prism 5 to obtain the IC50 value of each compound.
12391	1	SyncroPatch Recording Assay	At the beginning of each assay, 20 &#956;l of cell suspension was dispensed into each well of a multi-hole 384-well SyncroPatch chip by the onboard pipettor. Cell sealing was initiated, and seal enhancer solution was added to facilitate seal formation. Upon completion of sealing, cells were washed 3 times with extracellular recording solution and the assay voltage protocol was started. Human Kv7.2, Kv7.4 or Kv7.5/7.3 channels were evaluated using a voltage protocol in which cells were voltage-clamped at a holding potential of &#8722;60 mV. Potassium currents were continuously activated with a series of three voltage steps to &#8722;30 mV for 3 seconds, 40 mV for 1 second and &#8722;90 mV for 4 seconds with 12 seconds between successive voltage sweeps. Potassium currents were measured from the &#8722;90 mV repolarizing step. Baseline current was assessed for 3.5 minutes prior to the addition of 5.6 &#956;M zinc pyrithione (1 &#956;M for Kv7.4). Kv7.2, Kv7.4 or Kv7.5/7.3 current in the presence of zinc pyrithione was acquired over five minutes to allow channels to reach steady state activity prior to addition of test agents. Channel activity was monitored for three minutes preceding the addition of 30 &#956;M ML-213 (3 minutes) to achieve maximum activation. 150 mM TEA with 10 &#956;M XE-991 was applied for 2 minutes to measure the leak current during maximum inhibition of Kv7.2, Kv7.4 or Kv7.5/7.3 channels.
12392	1	In Vitro Activity Assay	DYRK1A assay. Substrate, HT-PRD (Proline rich domain, residues 746-864 of dynamin 1a, prepared as N-terminal tagged 6×His fusion protein), was diluted in dilution buffer (25 mM Tris-HCl, pH 7.4 and 100 mM NaCl) to a concentration of 2 ng/&#956;l or higher and used to coat a 96-well plate (BD Falcon #353072) with 100 &#956;l per well (200 ng/well unless otherwise indicated) at 4° C. overnight. Unbound materials were washed away with dilution buffer and wells were blocked with 150 &#956;l blocking buffer (2% BSA, 1×PBS, and 0.25% Tween 20) at room temperature for 60 min. After blocking, wells were washed extensively with dilution buffer before subjecting to phosphorylation. DYRK1A phosphorylation was performed in wells with 100 &#956;l reaction mix containing 25 mM HEPES, pH7.4, 100 mM NaCl, 5 mM MgCl2, 100 UM ATP (Sigma-Aldrich Chemicals), inhibitor if needed, and 5 ng HT-497 (6×His tagged rat truncated DYRK1A isoform X1 containing residues 1-497). Reactions were initiated by adding HT-497 and continued for 30 min (unless otherwise indicated) at 30° C. At the end point, wells were washed with ˜350 &#956;l dilution buffer three times to terminate the reaction. A set of inhibition experiments typically consisted of a no-inhibitor control plus a series of eight inhibitor concentrations in the range of 0.000625 UM-100 &#956;M (final) depending on the strength of inhibitor.
12393	1	Biochemical Human PDE10A Activity Assay	Semi Log compound dilutions starting at a final concentration of 50 &#956;M were dispensed into a black 384 well plate alongside, DMSO and an Inhibited control using the Echo Acoustic dispenser. Both Human PDE10A2 and CD73 in a tris-based assay buffer at the final assay concentrations of 0.25 nM and 1 nM respectively, were pre incubated with the compounds for 15 minutes at room temperature, prior to the addition of the substrates, cGMP, and Phosphate Sensor, also diluted in a tris-based assay buffer at the final assay concentrations of 3 &#956;M and 0.9 &#956;M, respectively. The plate was incubated for a further 35 minutes at room temperature before the fluorescence intensity was measured using an optical filter of Ex 430 nm/Em 450 nm on the BMG CLARIOStar Plate Reader. Data was analysed using a 4-parameter fit.
12394	1	Test on the inhibitory activity of the compounds of the invention against PRMT5 enzyme by radioisotopic method	Test method: A 1× enzyme reaction buffer (10 mM Tris 8.0 (Sigma, Cat. No. T2694-1L), 0.01% Tween-20 (Sigma, Cat. No. P2287-100 ML), 1 mM DTT (Sigma, Cat. No. D0632-10G)) was prepared. PRMT5 (Active Motif, Cat. No. 31921) and [3H]—SAM (PerkinElmer, Cat. No. NET155V001MC) were added to the 1×enzyme reaction buffer, to prepare a 25/15× mixed solution (PRMT5 final concentration: 5 nM, [3H]—SAM final concentration: 0.3 &#956;M). 15 &#956;L of this solution was transferred into a 384-well microplate (Corning 384-well Polypropylene Storage Microplates, Cat. No. 3657) with various concentrations of the compounds (DMSO final concentration 1%), and incubated at room temperature for 60 minutes. A polypeptide substrate, GL-27 (Ac-SGRGKGGKGLGKGGAKRHRKVGG-K (Biotin) (GL Biochem, Cat. No. 342095)), was added into the 1×enzyme reaction buffer to prepare a 25/10× substrate solution. Then 10 &#956;L of the polypeptide substrate solution (final concentration of the polypeptide substrate: 100 nM) was added, a reaction was stirred at room temperature for 120 minutes, and then 5 &#956;L 6× ice cold SAM (Sigma, Cat. No. A7007-100 MG) solution was added to stop the reaction (SAM final concentration: 0.125 mM). 25 L of the reaction mixture was transferred into a FlashPlate (Streptavidin FlashPlate HTS PLUS, High Capacity, 384-well, Perkin Elmer, Cat. No. SMP410A001PK), and incubated at room temperature for 1 h. After washed three times with distilled water containing 0.1% Tween-20, the microplate was read on a MicroBeta reader for CPM data (Counts Per Minute). After the CPM raw data of the compounds at various concentrations were obtained, the data were normalized according to Inh %=(Max-Sample)/(Max-Min)*100%, and the enzyme activity inhibition rate Inh % at each concentration point was obtained (wherein Max is the CPM value of a positive well with the enzyme, Min is the CPM value of a negative well without the enzyme, and Sample is the CPM value of the sample well treated with the compounds). Then the inhibition rate Inh % (Y) corresponding to each concentration (X) was input in EXCEL, and the IC50 value (the half maximal inhibitory concentration) of each compound was calculated with the XLfit plug-in according to the built-in four-parameter fitting equation Y=Bottom+(Top-Bottom)/(1+(IC50/X)*HillSlope).
12395	1	Enzyme Activity Assay	An inhibition test was conducted using 200 nM recombinant SARS-CoV-2 main protease and 15 &#956;M fluorescent substrate (Dabcyl-TSAVL QSGFRK-Glu (EDANS); Genscript). An assay buffer consisted of 50 mM Tris-HCl and 1 mM EDTA at pH 7.3. SARS-CoV-2 3CLpro was dissolved in 25 &#956;L of the assay buffer and mixed with compounds at different concentrations. The mixture was incubated at 37° C. for 30 minutes. A substrate dissolved in 25 &#956;L of the assay buffer was then added to initiate a reaction. Fluorescent signals at 350 nm (excitation)/490 nm (emission) were measured immediately each minute in 10 minutes at 37° C. using a SpectraMax® M5 multimode microplate reader. RFU at 6th minute of the reaction with the compounds at different concentrations in contrast with a reaction with the lowest concentration was used to generate an IC50 curve. IC50 values corresponding to SARS-CoV-2 3CLpro were measured for each compound at 12 concentrations.
12396	1	Homogeneous Time Resolved Fluorescence (HTRF) Assay	(1) Each compound to be tested was prepared using gradient dilution method with DMSO and water to obtain a solution with the concentration of 50 nM, 10 nM, 2 nM, 0.4 nM, and 0.08 nM. The concentration of DMSO in the solution of each compound to be tested was 2%.(2) PARP7 enzyme (Cell Chemical Biology 27, 877-887, Jul. 16, 2020; the fusion tags was N-His6-TEV-AviMHHHHHHSSGVDLGTENLYFQSNAGLNDIFEAQKIEWHE) was dissolved in the buffer solution (the pH of the buffer solution was 7.4, and the buffer solution contained 25 mM HEPES (N-(2-hydroxyethyl) piperazine-N&#8242;-2-sulfonic acid), 120 mM NaCl, 5 mM MgCl2, 2 mM DTT (Dithiothreitol), 0.002% (ml/ml) Tween-20, 0.1% (ml/ml) BSA (bovine serum albumin) and water) to obtain a PARP7 enzyme solution with the concentration of 6 nM.(3) The RBN011147 (Cell Chemical Biology 27, 877-887, Jul. 16, 2020), MAb Anti His-T b cryptate Gold (Cisbio, Cat. No 61GSTTLF, Lot. No 09A), and Streptavidin-d2 (Cisbio, Cat. No 610SADLF, Lot. No 19G) were diluted with buffer solution (the pH of the buffer solution was 7.4, and the buffer solution contained 25 mM HEPES (N-(2-hydroxyethyl) piperazine-N&#8242;-2-sulfonic acid), 120 mM NaCl, 5 mM MgCl2, 2 mM DTT (Dithiothreitol), 0.002% (ml/ml) Tween-20, 0.1% (ml/ml) BSA (bovine serum albumin) and water) to obtain the solution containing fluorophore with the concentration of 10 nM, 0.7 nM, and 2.5 nM respectively. The MAb Anti His-Tb cryptate Gold was the donor fluorophore, and the Streptavidin-d2 was the acceptor fluorophore.(4) 2.5 &#956;l of the solution of the compound to be tested was transferred into 384-well plate, 2.5 &#956;l of the PARP7 enzyme solution was added. The resulting solution was incubated for 15 mins, and then 5 &#956;l of the solution containing fluorophore was added. The resulting mixture was incubated at 25° C. for 3 hrs to obtain the final solution to be tested.(5) The fluorescence signal was read on SPARK plate reader (Tecan), the wavelength of the excitation spectrum of the SPARK plate reader was 320 nm, and the wavelength of the emission spectrum of the SPARK plate reader was 620 nm and 665 nm. The ratio of absorbance at 620 nm to absorbance at 665 nm was calculated for the solution in each well. The ratio was calculated according to the following formula: Ratio=absorbance at 665 nm/absorbance at 620 nm×104.(6) The activation of the compounds to be tested was calculated according to the following formula: Activation (%)=100×(ratiocompound&#8722;rationegative)/(ratiopositive&#8722;rationegative). Inhibition (%)=100&#8722;Activation (%).
12397	1	Biological Activity of Exemplified Compounds as Inhibitors of 12/15-LOX	Assay: Compounds are dissolved in DMSO and diluted to 10 mM concentration in DMSO immediately before IC50 analysis. To determine inhibition of the enzyme, 10 &#956;L of DMSO was added to the first cuvette, and 10 &#956;L of test compound stock solution was added to the second cuvette. Enzyme was then added to the cuvettes. The IC50 experiment was performed for the following test compound concentrations: 20, 10, 3, 1, 0.3, 0.1, 0.03, and 0.01 &#956;M. If the test compound was more potent than 0.3 &#956;M, the concentrations used in the IC50 determination were shifted to lower values such as: 3, 1, 0.3, 0.1, 0.03, 0.01, 0.003, and 0.001 &#956;M.
12398	1	Homogeneous Time-Resolved Fluorescence (HTRF) Assay	HTRF cAMP assays were performed using commercially available assay kits according to the manufacturer&#39;s instructions (cAMP Dynamic 2 Assay Kit; #62AM4PEJ, Cisbio Bioassays, Bedford, MA). An aliquot of CHO-K1 cells stably expressing recombinant human GPR52 was thawed and resuspended in cell buffer (1×PBS (w/o Ca2+/Mg2+)) at a density of 4×105 cells per mL. Test compounds were solubilized in DMSO to 10 mM stock solutions and serially diluted in DMSO using 6-fold dilutions to generate 8-point dose response curves. These serially diluted samples were then diluted 1:50 in compound dilution buffer (1×PBS (w/o Ca2+/Mg2+) containing 0.5 mM IBMX, 0.1% BSA) to achieve a 4× stock. The diluted compounds were transferred (5 &#956;L per well) in duplicate to the 384-well assay plate (Optiplate #6007290, PerkinElmer, Waltham, MA). Both a positive (reference compound) and negative (non-stimulated vehicle) control was included in each assay run in column 23. The cell suspension was subsequently dispensed into the 384-well assay plates at 15 &#956;L per well (6000 cells) such that the compound was diluted to 1×. Column 24 on the plates did not receive cells and was reserved for a cAMP standard curve. After a one-hour incubation at room temperature, 10 &#956;L of cAMP D2 reagent followed by 10 &#956;L of cryptate reagent (provided in the Cisbio kit) was added to each well. Plates were then incubated at room temperature for one hour prior to reading. Time-resolved fluorescence measurements were collected on an EnVision® HTRF plate reader (PerkinElmer, Waltham, MA).
12399	1	Human D1 Binding Assay	The assay was performed as a SPA-based competition-binding in a 50 mM Tris pH 7.4 assay buffer containing 120 mM NaCl, 5 mM KCl, 4 mM MgCl2, 1.5 mM CaCl2, and 1 mM EDTA. Approximately 1 nM 3H-SCH23390 (Perkin Elmer, NET 930) was mixed with test compound before addition of 2.5 &#956;g of a homogenized human D1 receptor membrane preparation and 0.25 mg SPA beads (WGA RPNQ 0001, Amersham) in a total volume of 60 &#956;L.The assay plates were under agitation incubated for 60 minutes at room temperature before the plates were centrifuged and subsequently counted in a scintillation counter (TriLux, Wallac). The total binding, which comprised approximately 15% of added radioligand, was defined using assay buffer, whereas the non-specific binding was defined in the presence of 10 haloperidol.Data points were expressed in percent of the specific binding and the IC50 values (concentration causing 50% inhibition of specific binding) and were determined by non-linear regression analysis using a sigmoidal variable slope curve fitting. The dissociation constant (Ki) was calculated from the Cheng Prusoff equation (Ki=IC50/(1+(L/KD)), where the concentration of free radioligand L is approximated to the concentration of added radio-ligand in the assay.
12399	2	Human D2 Binding Assay	The assay was performed as a SPA-based competition-binding in a 50 mM Tris pH 7.4 assay buffer containing 120 mM NaCl, 5 mM KCl, 4 mM MgCl2, 1.5 mM CaCl2, and 1 mM EDTA.1.5 nM 3H-raclopride (Perkin Elmer, NET 975) was mixed with test compound before addition of 20 &#956;g of a homogenised human D2 receptor membrane-preparation and 0.25 mg SPA beads (WGA RPNQ 0001, Amersham) in a total volume of 90 &#956;L. The assay plates were under agitation incubated for 60 minutes at room temperature and subsequently counted in a scintillation counter (TriLux, Wallac). The total binding, which comprised approximately 15% of added radioligand, was defined using assay buffer, whereas the non-specific binding was defined in the presence of 10 &#956;M haloperidol. The non-specific binding constituted approximately 10% of the total binding.Data points were expressed in percent of the specific binding of 3H-raclopride and the IC50 values (concentration causing 50% inhibition of 3H-raclopride specific binding) were determined by non-linear regression analysis using a sigmoidal variable slope curve fitting. The dissociation constant (Ki) was calculated from the Cheng Prusoff equation (Ki=IC50/(1+(L/KD)), where the concentration of free radioligand L is approximated to the concentration of added 3H-raclopride in the assay. The KD of 3H-raclopride was determined to 1.5 nM from two independent saturation assays each performed with triplicate determinations.
12399	3	Human 5-HT2A Binding Assay	The experiment was carried out at Cerep Contract Laboratories (Cat. ref. #471).Compound (I) was also tested in an in vivo set up demonstrating central effects of the compound. By in vivo binding, the compound&#39;s in vivo affinity for D2 receptors was assessed and occupancy of 60% of the target was observed. Occupancy of D2 receptors is closely linked to antipsychotic effects in animal models and in patients.
12400	1	CYP450 Enzyme Induction Study	500 &#956;L of a final incubation system contains 50 &#956;L of liver microsomes (protein concentration: 0.2 mg/mL), 1 &#956;L of mixed CYP450 specific substrates (CYP1A2, CYP 2B6, CYP 2C9, CYP2C19, CYP 2D6, and CYP 3A4), 398 &#956;L PBS buffer (PH7.4), 1 &#956;L specific positive inhibitor (positive control group) or the test compound (formulated with acetonitrile), and 50 &#956;L NADPH+MgCl2. Duplicate incubation systems of 0.5 mL each were formulated for each CYP450 subtype. A total volume of 450 &#956;L of a uniformly mixed solution of the substrate and the enzyme was formulated in each tube, and the solution and NADPH were pre-incubated at 37° C. for 5 minutes, respectively. Then 50 &#956;L of the mixed solution of NADPH+MgCl2 was added for reaction. 50 &#956;L of the reaction solution was taken out at 30 minutes, and the reaction was terminated with 300 &#956;L of ice acetonitrile containing an internal standard. In addition, two control groups of 500 &#956;L each without NADPH were prepared in parallel as a negative control group.
12401	1	TBD	TBD
12402	1	Inhibitory Effect of Compound I on the Enzymatic Activity of PI3K&#948; and PI3K&#947; In Vitro	1) Preparation of buffer salt solution: A 10× buffer salt solution with a pH of 7.5 containing 500 mM HEPES, 500 mM NaCl, and 30 mM MgCl2 was prepared with ultrapure water and stored at 4° C. for later use. Before use, the above buffer salt solution was diluted to a 3.33× buffer salt solution and BSA was added to a final concentration of 0.333 mg/mL.2) A 100× reference compound (compound I) was prepared with a starting concentration of 100 nM, diluted in a 3-fold serial dilution to 10 concentrations and transferred to the corresponding 384 microwell plate at 50 nL/well. In the control group, 50 nL/well of DMSO was added.3) 3.33×PI3K solutions were prepared with the 3.33× buffer salt solution, PI3K&#948; at a final concentration of 0.25 nM, PI3K&#947; at a final concentration of 0.4 nM. A 3.33×PIP2:3PS solution was prepared, mixed with the enzyme solutions at a volume ratio of 1:1, and added to the 384 microwell plate in 3 &#956;L/well. The mixed solution of buffer salt solution/PIP2:3PS was added in the complete inhibition control group. The mixture was mixed well, centrifuged, and incubated for 20 minutes at 23° C.4) The 384 microwell plate was removed, and 2.5×ATP solutions, at a final concentration of 40 &#956;M (PI3K&#948;) and 25 &#956;M (PI3K&#947;) respectively, were prepared with ultrapure water, added to the 384 microwell plate in 2 &#956;L/well, mixed well, centrifuged, and incubated for 120 minutes at 23° C. Then, 5 L/well of ADP-Glo reagent was added, mixed well, centrifuged, and incubated for 60 minutes at 23° C. 10 &#956;L/well of kinase detection reagent was added, mixed well, centrifuged, and incubated for 30 minutes at 23° C. The luminescence value was read using Envision.4. Experimental results:The experiment used the ADP-Glo chemiluminescence method as the enzymatic activity detection method to determine the inhibitory effect of the test compound I on the enzymatic activity of PI3K&#948; and PI3K&#947;.
12403	1	AlphaScreen-Based High-Throughput Screening Assay	An AlphaScreen-based high-throughput screening assay can be used to identify inhibitors of the KIF15-TPX2 protein-protein interaction. These inhibitors have been followed up with cell independent and cell dependent assays to validate inhibitor activity. From this, we have identified two chemotypes with putative inhibitors of the KIF15-TPX2 protein-protein interaction. Analogs of one of the compounds have been synthesized to allow compounds to have better drug-like properties.
12404	1	Biochemical (In Vitro) Assay	Compounds were delivered in 10 mM DMSO solution, serially diluted and transferred to the 384 well assay plate (Greiner #781201) using an Echo acoustic dispenser. Typically, 8 concentrations were used with the highest concentration at 10 UM in the final assay volume followed by ˜1:5 dilution steps. DMSO concentration was set to 1% in the final assay volume. The 384 well assay plate contained 22 test compounds (column 1-22), and DMSO in column 23 and 24.After the compound transfer, 15 &#956;L of the enzyme-DNA-working solution (12 nM cGAS, 0.32 UM 45base pair DNA in assay buffer, 10 mM Tris pH 7.5/10 mM KCl/5 mM MgCl2/1 mM DTT) were added to each well from column 1-23 via a MultiDrop Combi dispenser. In column 24, 15 &#956;l of assay buffer without enzyme/DNA were added as a low control.The plates were then pre-incubated for 60 min at room temperature.Following that, 10 &#956;L of GTP (ThermoFisher #R0461)-ATP (Promega #V915B) mix in assay buffer were added to the assay plate (columns 1-24, 30 &#956;M final concentration each) using a Multidrop Combi. The plates were incubated again for 90 min at room temperature.Following the incubation, the reaction was stopped by 80 &#956;l of 0.1% formic acid in assay buffer containing 5 nM cyclic-di-GMP (Sigma #SML1228) used as internal standard for the mass spectrometry. The total volume/well was 105 &#956;L.
12405	1	Inhibitory Activity of Compounds Against EGFR Mutant Enzyme	The activity of the compounds of the present invention against EGFR mutant enzymes was measured using the HTRF system purchased from Cisbio as follows. For an EGFR mutant enzyme, the EGFR del19 enzyme was a recombinant protein purchased from Carna Biosciences, and the EGFR A763_Y764insFHEA enzyme was a recombinant protein purchased from SignalChem, respectively.The composition of the assay buffer used for activity measurement was 50 mM tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% tween 20, 0.1% BSA, and 1 mM DTT. An enzymatic reaction was performed using a peptide substrate labeled with ATP at a concentration of 50 mM and biotin at a concentration of 0.5 mM. The analysis of the inhibitory effect of the compounds on EGFR activity was performed according to the following method.Component 1:4 &#956;L of EGFR mutant enzymeComponent 2:2 &#956;L of compound solutionComponent 3:4 &#956;L of ATP and a biotin labeled peptideThe enzyme reaction begins by first mixing component 1 and component 2 and then adding component 3 thereto. After the reaction at 37° C. for 2 hours, 10 mL of a measurement solution consisting of streptavidin-XL665 and a europium-labeled anti-phosphotyrosine antibody purchased from Cisbio was added to the enzyme reaction solution and reacted at room temperature for 1 hour. Finally, the ratio of fluorescence values at 615 nm and 665 nm was measured using Perkin-Elmer&#39;s Envision instrument to calculate enzyme activity and confirm the inhibitory ability of the compounds. 
12405	2	Inhibitory Activity of Compounds Against EGFR Mutant Enzyme	The activity of the compounds of the present invention against HER mutant enzymes was measured using the HTRF system purchased by Cisbio as follows. As a HER2 mutant enzyme, the HER2 A775_G776insYVMA mutant enzyme was used by purchasing a recombinant protein provided by Carna Biosciences.The composition of the assay buffer used for activity measurement was 50 mM tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% tween 20, 0.1% BSA, and 1 mM DTT. In addition thereto, the enzymatic reaction was performed using a peptide substrate labeled with ATP at a concentration of 50 mM and biotin at a concentration of 0.5 mM. The analysis of the activity inhibitory effect of the compounds on HER2 A775_G776insYVMA mutation was performed according to the following method.Component 1:4 &#956;L of HER2 A775_G776insYVMA mutant enzymeComponent 2:2 &#956;L of compound solutionComponent 3:4 &#956;L of ATP and a biotin labeled peptideThe enzyme reaction begins by first mixing component 1 and component 2 and then adding component 3 thereto. After the reaction at 37° C. for 2 hours, 10 mL of a measurement solution consisting of streptavidin-XL665 and a europium-labeled anti-phosphotyrosine antibody purchased from Cisbio was added to the enzyme reaction solution and reacted at room temperature for 1 hour. Finally, the ratio of fluorescence values at 615 nm and 665 nm was measured using Perkin-Elmer&#39;s Envision equipment to calculate enzyme activity and confirm the inhibitory ability of the compounds.
12406	1	In Vitro AAK1 Enzyme Activity Assay	Compound stock solution (concentration: 10 mM, dissolved in DMSO) was diluted with DMSO to 0.2 mM and then diluted with DMSO in 5-fold gradient to obtain compound solutions with 10 concentrations. Subsequently, the compound solutions with different concentrations were diluted 50-fold in 1×kinase reaction buffer (containing 40 mM Tris, 20 mM MgCl2, 0.1% BSA and 0.5 mM DTT) for later use. AAK1 (Signalchem, Cat #A01-11G-10) was diluted with 1×kinase reaction buffer to 2-fold the final concentration (final concentrations: 30 nM and 28 nM). AAK1 was added to a 384-well white plate at 2 &#956;L/well, and the compounds were then added at 1 &#956;L/well. The plate was sealed with a plate-sealing film, centrifuged at 1000 rpm for 30 seconds and then placed at room temperature for 10 minutes. A mixed solution of ATP (Promega, Cat #V914B) and substrate Micro2 (GenScript, Cat #PE0890) was formulated at 4-fold the final concentration (for AAK1, the corresponding final concentrations of ATP: 15 &#956;M and 5 &#956;M, and the corresponding final concentration of Micro2: 0.1 mg/mL). To the reaction plate was added the mixed solution of ATP and the substrate at 1 &#956;L/well. 
12407	1	LATS1 Biochemical HTRF Assay	In a 384-well white small volume plate (Greiner 784075) add 3.5 &#956;L of 1× Enzymatic buffer with [5 mM] MgCl2 and [1 mM] DTT. 1× Enzymatic buffer diluted from 5× Enzymatic buffer*. Add 0.5 &#956;L of 20× compound in 100% DMSO. Add 2 &#956;L±[2.8 nM] LATS1 kinase (Carnabio #01-123) in 5× Enzyme Resuspension Buffer (ERB) with [5 mM] MgCl2, [1 mM] DTIT and [5 mg/mL] BSA. 5×ERR prepared from 5× Enzymatic buffer with [25 mg/mL] BSA. Mix plate on plate shaker set at 1,350 rpm for 30 seconds, then centrifuge plate at 1,000 rpm for 1 minute. Incubate for 30 minutes at 25° C. on plate shaker set to 500 rpm. Add 2 &#956;L [12.5 &#956;M] STK Substrate 1-biotin* then add 2 &#956;L [10 mM] ATP. Mix plate on plate shaker set at 1,350 rpm for 30 seconds, then centrifuge plate at 1,000 rpm for 1 minute. Incubate for 40 minutes at 25° C. on plate shaker set to 500 rpm. Stop reaction by adding 10 &#956;L of a 1:1 mix of [625 nM] Streptavidin-XL665 with 1×STK Antibody-Cryptate*. Mix plate on plate shaker set at 1,350 rpm for 30 seconds, then centrifuge plate at 1,000 rpm for 1 minute. Incubate for 60 minutes at 25° C. on plate shaker set to 500 rpm, covered from light. Read plate: ex 330 nm; em1 620 nm and em2 665 nm. Calculate the ratio of the acceptor (665 nm) and donor (620 nm) emission signals for each well. Ratio is equal to signal 665 nm/signal 620 nm×10,000.
12408	1	Biochemical Human PDE10A Activity Assay	Semi Log compound dilutions starting at a final concentration of 50 &#956;M were dispensed into a black 384 well plate alongside, DMSO and an Inhibited control using the Echo Acoustic dispenser. Both Human PDE10A2 and CD73 in a tris-based assay buffer at the final assay concentrations of 0.25 nM and 1 nM respectively, were pre incubated with the compounds for 15 minutes at room temperature, prior to the addition of the substrates, cGMP, and Phosphate Sensor, also diluted in a tris-based assay buffer at the final assay concentrations of 3 &#956;M and 0.9 &#956;M, respectively. The plate was incubated for a further 35 minutes at room temperature before the fluorescence intensity was measured using an optical filter of Ex 430 nm/Em 450 nm on the BMG CLARIOStar Plate Reader. Data was analysed using a 4-parameter fit.
12409	1	Competitive Binding Assay	The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05 % Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Dissociation constants (Kds) were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 &#956;M nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12410	1	Fluorescence Polarization (FP) Assay	Fluorescence polarization assay was performed on a Wallac Victor 3V multi-label counter/plate reader (PerkinElmer, Shelton, CT) using 484 nm excitation and 535 nm emission filters for the fluorophore used in the binding experiment. The plate used for the FP measurement was Corning 3575 384-well plate, loaded with 40 μL of assay solution per well. The buffer used in FP assays is 10 mM HEPES buffer, pH 7.4, containing 150 mM NaCl, 50 mM EDTA, and 0.005% Tween-20. Deionized water from a Millipore water purification used to prepare all aqueous solutions in FP assay. The fluorescent probe used in this assay is 9-mer Nrf2 ETGE motif derived peptide, FITC-LDEETGEFL-NH2. In each well, the final volume is 40 μL that consisted of 10 μL of 400 nM Keap1 Kelch domain protein, and 20 μL of 20 nM FITC-9mer Nrf2 peptide amide, and 10 μL of an inhibitor compound of different concentrations. The experiments were done in triplicates, with initial concentration of the inhibitor typically 5 μM and 50 μM. Then, the plate was centrifuged for 2 mM to ensure thorough mixing and get rid of any air bubbles in the solution. The plate was covered and shacked for 30 mM at room temperature and then centrifuged for 2 mM prior to FP measurements.  The determination of FP is by measuring the parallel and perpendicular fluorescence intensity (F∥ and F⊥) with respect to the linearly polarized excitation light. The measurement of IC50 of the inhibitors was determined from the plot of % inhibition against concentration of the inhibitor analyzed by Sigma Plot 12.3 software.
12410	2	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay	TR-FRET assay was performed on a Wallac Victor 3V multi-label counter/plate reader (PerkinElmer, Shelton, CT). The plate used for the FP measurement was 384-well plates (Corning® 384 Well Low Flange White Flat Bottom Polystyrene NBS™ Microplate), loaded with 20 &#956;L of assay solution per well. The buffer used in FP assays is TR-FRET dilution buffer from ThermoFisher (PV3574). The fluorescent probe used in this assay is 9-mer Nrf2 ETGE motif derived peptide, FITC-LDEETGEFL-NH2. In each well, the final volume is 20 &#956;L containing 5 nM of Keap1, 25 nM of FITC-Nrf2-9mer-NH2 and 0.5 nM of Terbium labeled anti-HIS antibody+inhibitor compound of different concentrations in DMSO or DMSO alone (1% final concentration) in assay buffer in triplicate. Then, the plate was centrifuged for 2 mM to ensure thorough mixing and get rid of any air bubbles in the solution. The plate was covered and shaked for 60 mM at room temperature and then centrifuged for 2 mM and TR-FRET was measured on a Victor 3V microplate reader. After excitation at 340 nm, well fluorescence was monitored at 495 nm and 520 nm. The measurement of IC50 of the inhibitors was determined from the plot of % inhibition against concentration of the inhibitor analyzed by Sigma Plot 12.3 software.
12411	1	Competitive Radioligand Binding Assay	Receptor binding affinities (Ki) were determined from a competitive radioligand binding assay with human recombinant ([125I]-Tyr4)-Angiotensin-II (2200 Ci/mmol) from Perkin Elmer (Cat. #NEX1050). The assays were performed with a scintillation proximity assay (SPA) method using polyvinyltoluene (PVT) wheat germ agglutinin-coupled SPA beads (Perkin Elmer Cat. #RPNQ0001). Assay buffer containing BSA (50 mM Tris-HCl, pH 7.5, 150 mM NaCl, 0.1% w/v fatty-acid free BSA) was used for preparing radioligand, membrane and SPA bead reagent dilution to working stock concentrations. Reference control and test compounds were diluted to obtain ten-point concentration response curves using a four-fold serial dilution protocol onto assay plates, dispensed acoustically from DMSO stock using automated ECHO instrument technology (Labcyte, Inc.). Concentration response curves were routinely generated with the highest final assay concentration for the reference angiotensin-II control at 50 nM, and the highest final assay concentration for the test compounds at 50 &#956;M. To quantitate the concentration of [125I]-tyr4 angiotensin-II used in each assay, after this radioligand was diluted on the day of testing (2.5-fold working stock), direct counts of this stock were measured by removing four aliquots of 20 &#956;L and counted on a Wizard2 Gamma Counter (PerkinElmer). The hAT2R membrane was combined with PVT-WGA SPA beads to obtain a final assay concentration of 0.25 &#956;g/well hAT2R membrane+0.1 mg/well PVT-WGA SPA bead. And the hAT1R membrane PVT-WGA SPA bead final concentrations was 0.5 &#956;g/well hAT1R membrane+0.1 mg/well PVT-WGA SPA bead.
12412	1	In Vitro Binding Affinities Assay	In vitro binding affinities for various compounds within the scope of the present disclosure were determined using [3H]N-methylspiperone radioligand binding in Human Embryonic Kidney (HEK293) cells expressing dopamine D2-like receptors (D2R, D3R, D4R). These binding studies were coupled with functional studies using radioligand binding &#946;-arrestin recruitment and cAMP inhibition displacement assays. See Keck et al., J. Med. Chem. 2019, 62 (7), 3722-3740, which is incorporated herein by reference.
12413	1	In Vitro Activity Assay	The kinase buffer in the kit was used to dilute the enzyme, substrate, ATP and inhibitor.The compound to be tested was diluted 5-fold to the eighth concentration with a discharge gun, i.e., from 50 &#956;M to 0.65 nM, with a final DMSO concentration of 5%, and double duplicate wells experiment was set. 1 &#956;L of each concentration gradient of the inhibitor, 2 &#956;L of c-Met enzyme (4 ng), 2 &#956;L of a mixture of the substrate and ATP (10 &#956;M ATP, 0.2 &#956;g/&#956;L poly E4Y1) were added to the microplate, and the final concentration gradient of the compound of 10 &#956;M was diluted to 0.13 nM. The reaction system was placed at 30° C. and the reaction was carried out for 60 minutes. When the reaction was completed, 5 &#956;L of ADP-Glo reagent was added to each well and the reaction was carried out at 30° C. for another 40 minutes, when the reaction was completed, 10 &#956;L of kinase detection reagent was added to each well, then the reaction was carried out at 30° C. for still another 30 minutes, chemiluminescence was read by the PerkinElmer Envision multi-label analyzer with an integration time of 0.5 seconds.
12414	1	DXR Enzyme Activity Assay	Oxidation of NADPH to NADP+ as a result of substrate turnover was monitored at 340 nm in a POLARstar Omega microplate reader (BMG Labtech). The standard reaction had a final concentration of 62.5 nM purified DXR protein, 0.5 mM NADPH, 100 mM NaCl, 25 mM Tris pH 7.5, 10% glycerol, 1 mM MgCl2 and 0.09 mg/mL BSA in 50 &#956;L volume per assay. Reactions were initiated by the addition of DOXP after 15 min incubation of the reaction mixture without DOXP at 37° C. Absorption at 340 nm was measured continuously for up to 45 min. For Km [DOXP] determination, DOXP concentrations between 0 and 2 mM were tested at 0.5 mM NADPH. The linear range of enzyme activity was determined by varying the DXR concentration at 1 mM DOXP and 1 mM NADPH. IC50 assays were performed using the standard reaction conditions with the respective amount of DXR inhibitor added to obtain the given final concentrations. Data points from at least three independent replicates were analyzed by nonlinear regression using GraphPad Prism software. Slopes of changing absorbance values were converted to (&#956;M DOXP)(mg enzyme)&#8722;1 s&#8722;1 using a NADPH standard curve (data not shown). For the determination of the inhibitory constant Ki [FSM] of DXR, enzyme activity over a range of DOXP substrate concentrations between 0 and 2 mM was measured for FSM between 0 mM to 4 mM.
12415	1	PPO Enzyme Assay	Proto is purchased from Sigma-Aldrich (Milwaukee, WI). Protogen is prepared according to Jacobs and Jacobs (N. J. Jacobs, J. M. Jacobs, Assay for enzymatic protoporphyrinogen oxidation, a late step in heme synthesis, Enzyme 28 (1982) 206-219). Assays are conducted in 100 mM sodium phosphate pH 7.4 with 0.1 mM EDTA, 0.1% Tween 20, 5 &#956;M FAD, and 500 mM imidazole. Dose-response curves with the uracilpyridines disclosed SUPRA, and photosynthesis inhibitor diuron as negative control, and MC-15608 are obtained in the presence of 150 &#956;M Protogen. The excitation and emission bandwidths are set at 1.5 and 30 nm, respectively. AH assays are made in duplicates or triplicates and measured using a POLARstar Optima/Galaxy (BMG) with excitation at 405 nm and emission monitored at 630 nm. Molar concentrations of compound required for 50% enzyme inhibition (IC50 values) are calculated by fitting the values to the dose-response equation using non-linear regression analysis.
12416	1	Kinase Assay	1. Experiment PurposeTo determine the inhibitory activity of compounds against kinases by the kinase assay kit ADP-GLO.2. Experiment PrincipleDRAK2 is a serine/threonine protein kinase. ADP Glo& #8482; Kinase Assay (ADP Glo& #8482; Kinase Assay Kit) is a luminescent kinase assay kit that can detect ADP formed during kinase reactions; this kit can firstly convert ADP into ATP, which is then captured by Ultra Glo& #8482, luciferase and ultimately converts into light. The emitted light signal is positively correlated with the corresponding ATP, thus through this method, the inhibitory activity of small molecule compounds on DRAK2 can be measured.3. Experimental SampleThe compound was dissolved in DMSO before experiment to prepare stock solution.When using, the stock solution was diluted with culture medium to a desired concentration.4. Experimental MethodsI. Kinase Assay1. 1 &#956;l of compound was added to the well for each assay2. 2 &#956;l of kinase solution was added to each well of the assay plate, except for the control well that does not contain enzymes (changed to add 2 &#956;L of 1× kinase buffer).3. 2 &#956;l of ATP was added to each well of the assay plate4. the plate was shook and centrifuged.II. Stop Measurement2.5 &#956;l ADP-Glo™ reagent was add to terminate kinase reaction and consume unconsumed ATP, leaving only ADP and very low ATP background to incubate at room temperature for 60 minutes.III. Assay Analysis5 &#956;l of kinase assay reagent was add to convert ADP to ATP, and luciferase and fluorescein were introduced to detect ATP.IV. Data ProcessingEnvision was used to measure luminescenceV. Curve Fitting1. Values were copied from Envision program2.Inhibition&#8290;percentage=&#8232;(maximum&#8290;sampling&#8290;rate)/(maximum-minimum)&#8290;X100.The “minimum” refers to the proportion of without enzyme control, while “maximum” refers to the proportion of DMSO control.3. GraphPad Prism 5.0 was used to process data
12417	1	In Vitro Enzymology Experiment of PARP2, 3, 5A, 5B, 7, 12, and 15	1. Preparation of 384-well histone-coated plate: 25 &#956;L of histone solution was added to each well, and the plate was incubated overnight at 4° C.2. Preparation of PBST buffer, blocking buffer, and assay buffer3. The 384-well histone-coated plate was washed three times with PBST buffer. The plate was blocked by 50 &#956;L of blocking buffer for 1 hour at room temperature. The plate was then washed three times with PBST buffer.4. Compound preparation:2000× compound was prepared in a 96-well source plate. 50 nL of the compound was transferred from the source plate to a 96-well intermediate plate, and 39.95 &#956;L of assay buffer was added to each well. The plate was shaken well and centrifuged at 1000 rpm for 1 minute.5 &#956;L of compound DMSO solution was transferred to each well.5. Enzymatic reaction:An enzyme mixture was incubated at 25° C. for 10 minutes.10 &#956;L of the enzyme mixture was added, and incubated with the compound at room temperature for 10 minutes.10 &#956;L of assay buffer was added to the negative control well of the assay plate.10 &#956;L of 2.5× Biotin-NAD+ was added to each well, and the plate was incubated at 25° C. for 60 minutes.The plate was then washed three times with PBST buffer.6. Detection:25 &#956;L of Stre-HRP was added.The plate was incubated at room temperature for 1 hour and washed three times with PBS buffer.25 &#956;L of QuantaRed Enhancer mix was added. The plate was incubated for 10 minutes.2.5 &#956;L of QuantaRed Stop Solution was added to terminate the peroxidase reaction, and the plate was shaken for 10 to 30 seconds.7. Paradigm was used to read the plate immediately to detect the readings at Ex550/Em620.8. Data processingUsing equation (1) to fit the data in Excel to obtain inhibition valuesinh&#8290;%=(Max-Signal)/(Max-Min)*100Equation&#8290;(1)Using equation (2) to fit the data in XL-Fit to obtain IC50 valuesY=Bottom+(Top-Bottom)/(1+(I&#8290;C5&#8290;0/X)*HillSlopeEquation&#8290;(2)Y is the percentage of inhibition, and X is the compound concentration.
12418	1	Measurement of Inhibitory Ability of the Compounds Represented by Formula 1 According to the Present Invention Against Wild Type EGFR and EGFR Mutants	An experiment to measure the activity of the compounds of the present invention against EGFR mutant enzymes was performed as follows using the HTRF system sold by Cisbio. For the EGFR del19/T790M mutant enzyme, a recombinant protein provided by Carna Biosciences was purchased and used, and for the EGFR del19/T790M/C797S mutant enzyme, a protein provided by SignalChem was purchased and used as an enzyme source.The composition of the assay buffer used for measuring the activity was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, 0.1% BSA, and 1 mM DTT. Here, an enzyme reaction was performed using ATP at a concentration of 50 mM and a peptide substrate labeled with biotin at a concentration of 0.5 mM. Analysis of the inhibitory effect of the compounds against the EGFR activity was conducted according to the following analysis reaction recipe.Component 1: 4 &#956;L of an EGFR mutant enzymeComponent 2: 2 &#956;L of a compound solutionComponent 3: 4 &#956;L of ATP and a peptide labeled with biotinThe enzyme reaction was started by first mixing Component 1 and Component 2 and then adding Component 3. After reaction at 37° C. for 2 hours, 10 mL of measurement solution consisting of streptavidin-XL665 and europium-labeled anti-phosphotyrosine antibody provided by Cisbio was added to the enzyme reaction solution and reacted at room temperature for 1 hour. Finally, the ratio of fluorescence values at 615 nm and 665 nm was obtained using the Envision equipment from Perkin-Elmer to quantitatively measure the enzyme activity and confirmed the inhibitory ability of the compounds. 
12418	2	Measurement of Inhibitory Ability of the Compounds Represented by Formula 1 According to the Present Invention Against EGFR Ex20 Insertion Mutant Enzyme	An experiment to measure the activity of the compounds of the present invention against EGFR mutant enzymes was performed as follows using the HTRF system sold by Cisbio. For the EGFR mutant enzyme, EGFR A763_Y764insFHEA enzyme, a recombinant protein provided by SignalChem was purchased and used.The composition of the assay buffer used for measuring the activity was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, 0.1% BSA, and 1 mM DTT. Here, an enzyme reaction was performed using ATP at a concentration of 50 mM and a peptide substrate labeled with biotin at a concentration of 0.5 mM. Analysis of the inhibitory effect of the compounds against the EGFR activity was conducted according to the following analysis reaction recipe.Component 1: 4 &#956;L of an EGFR mutant enzymeComponent 2: 2 &#956;L of a compound solutionComponent 3: 4 &#956;L of ATP and a peptide labeled with biotinThe enzyme reaction was started by first mixing Component 1 and Component 2 and then adding Component 3. After reaction at 37° C. for 2 hours, 10 mL of measurement solution consisting of streptavidin-XL665 and europium-labeled anti-phosphotyrosine antibody provided by Cisbio was added to the enzyme reaction solution and reacted at room temperature for 1 hour. Finally, the ratio of fluorescence values at 615 nm and 665 nm was obtained using the Envision equipment from Perkin-Elmer to quantitatively measure the enzyme activity and confirmed the inhibitory ability of the compounds.
12418	3	Measurement of Inhibitory Ability of the Compounds Represented by Formula 1 According to the Present Invention Against HER2 Mutation	An experiment to measure the activity of the compounds of the present invention against HER mutant enzymes was performed as follows using the HTRF system sold by Cisbio. For the HER2 mutant enzyme, HER2 A775_G776insYVMA mutant enzyme, a recombinant protein provided by Carna Biosciences was purchased and used.The composition of the assay buffer used for measuring the activity was 50 mM Tris-HCl pH 7.5, 100 mM NaCl, 7.5 mM MgCl2, 3 mM KCl, 0.01% Tween 20, 0.1% BSA, and 1 mM DTT. Here, an enzyme reaction was performed using with ATP at a concentration of 50 mM and a peptide substrate labeled biotin at a concentration of 0.5 mM. Analysis of the inhibitory effect of the compounds against the HER2 A775_G776insYVMA mutant activity was conducted according to the following analysis reaction recipe.Component 1: 4 &#956;L of a HER2 A775_G776insYVMA mutant enzymeComponent 2: 2 &#956;L of a compound solutionComponent 3: 4 &#956;L of ATP and a peptide labeled with biotinThe enzyme reaction was started by first mixing Component 1 and Component 2 and then adding Component 3. After reaction at 37° C. for 2 hours, 10 mL of measurement solution consisting of streptavidin-XL665 and europium-labeled anti-phosphotyrosine antibody provided by Cisbio was added to the enzyme reaction solution and reacted at room temperature for 1 hour. Finally, the ratio of fluorescence values at 615 nm and 665 nm was obtained using the Envision equipment from Perkin-Elmer to quantitatively measure the enzyme activity and confirmed the inhibitory ability of the compounds. 
12419	1	ENPP1 Inhibition Assay	Assay was performed in a 30 &#956;L final volume in a white 96-well Half Area plate (Costar,Cat #3693). Dose response curve for the compounds were prepared in duplicates with starting conc. at 5 &#956;M and a three-fold titration was performed. The reaction buffer consisted of 50 mM Tris (pH 8.0), 0.5 mM CaCl2), 1 &#956;M ZnCl2, 250 mM NaCl and 0.1 mg/ml BSA. To the compound dilution, 15 &#956;L of ENPP1 enzyme (R&D Systems; Cat #6136-EN-010) was added to each well (final conc. 1 nM) and the mix was pre-incubated for 15 min at RT. An equal volume (15 &#956;L) containing cGAMP (Sigma, Cat #SML-1229) (final conc. 20 &#956;M) was added to initiate the enzyme reaction and the reaction was incubated for 30 min at RT. The reaction was then stopped by heating at 90° C. for 3 minutes. 10 &#956;l of reaction was then transferred to 384 well white, medium binding plates (Grenier, Cat #781075) to which 10 &#956;l of AMP-Glo Reagent 1 was added and mixed well and incubated for 1 hour at 25° C. Following 60 min incubation, 20 &#956;L of detection mixture was added to the enzyme reaction bringing the final volume to 40 &#956;L. The reaction was further incubated for 60 min at RT after which the plates were read using BioTek Plate reader.
12420	1	Kinase Inhibition Assay	Mobility shift assays were performed to determine the compound's inhibitory activity against EGFR delta19del/T790M/C797S, EGFR WT, and IGF1R kinases. The enzyme reaction scheme is as follows: 1. Prepare 1*kinase buffer as follows.  Final 1* Kinase buffer concentration HEPES PH 7.5 (mM) 50 Brij-35 0.0150% DTT (mM) 2 Mgcl2, Mncl2 (mM) 10 2. Preparation of compound concentration gradient: The starting concentration of the test compound is 3000 nM or 100 nM, dilute it in the 384-source plate to a 100% DMSO solution of 100 times the final concentration, and use precision to dilute the compound 3 times to 10 concentrations. Use the Dispenser Echo 550 to transfer 250 nL of 100x the final concentration of compound to the destination plate OptiPlate-384F.  3. Prepare a kinase solution with 2.5 times the final concentration using 1x Kinase buffer.  4. Add 10 uL of 2.5 times the final concentration of kinase solution to the compound wells and positive control wells respectively; add 10 uL of 1x Kinase buffer to the negative control wells. 5. Centrifuge at 1000 rpm for 30 seconds, shake and mix the reaction plate and incubate at room temperature for 10 minutes. 6. Use 1x Kinase buffer to prepare a mixed solution of ATP and Kinase substrate at 5/3 times the final concentration. 7. Add 15 uL of a mixed solution of ATP and substrate at 5/3 times the final concentration to start the reaction.  8. Centrifuge the 384-well plate at 1000 rpm for 30 seconds, mix well by shaking, and incubate at room temperature for the corresponding time.  9. Add 30 uL of stop detection solution to stop the kinase reaction, centrifuge at 1000 rpm for 30 seconds, and shake to mix.  10. Use Caliper EZ Reader to read conversion rates. 11. Calculation formula
12421	1	5-HT2B Binding Assay	Evaluation of the affinity of compounds for the human 5-HT2B receptor was determined in a radioligand binding assay at Eurofins/Cerep (France). Membrane homogenates prepared from CHO cells expressing the human 5HT2B receptor were incubated for 60 minutes at room temperature with 0.2 nM [125I](±)DOI (1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine) in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 10 &#956;M pargyline and 0.1% ascorbic acid. Nonspecific binding is determined in the presence of 1 &#956;M (±)DOI. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% polyethyleneimine (PEI) and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results are expressed as a percent inhibition of the control radioligand specific binding.
12422	1	Inhibition of Histone Deacetylase Enzymatic Activity	Below is a standardized protocol for running HDAC selectivity panel on Caliper LabChip EZ-Reader Instrument.The Caliper HDAC Assay Buffer (acronym HAB, 1 liter) was prepared as follows:Final Components: Concentration: Catalog #s:100 mL 1M KCL 100 mM Sigma #9541-500G&#8194;50 mL 1M HEPES, &#8194;50 mM Sigma #H3375-1KGpH 7.4 &#8195;1 mL 10% BSA &#8194;0.01% SeraCare #AP-4510-80-100G&#8194;20 &#956;L 50% Tween-20 0.001% Zymed #00-3005-20mLThe components were added to 1 liter Milli-Q water and store at 4° C.The substrate (stock conc.) was prepared as follows:Substrate A was prepared as 2 mM in DMSO. Its final concentration in the assay for HDACs 1,2,3,6 is 2 &#956;M.Substrate B was prepared as 2 mM in 100% DMSO. Its final concentration in the assay for HDACs 4,5,7,8,9 is 2 &#956;M.LBH was used as quench inhibitor to stop the reaction at the end point. The instrument buffer was ProfilerPro Separation Buffer (e.g., Caliper #760367). The instrument chip was LabChip EZ Reader II 12-Sipper Off-Chip Mobility Shift Chip (e.g., Caliper #760404).
12423	1	Biological Assay	The QPatch HT system (Sophion Bioscience A/S, Denmark) was used with the conventional whole-cell configuration. This system is an automated, chip-based planar patch clamp device allowing for up to 48 parallel independent experiments in one experimental assay run. Cells are added to each well and drawn by suction onto a small aperture to obtain a Gigaohm seal between the cell membrane and treated silicon surface, and whole-cell recordings initiated after access is achieved by suction and/or voltage pulses. The QPatch HT uses static perfusion, whereby a small volume of recording solution or drug is added to a reservoir on the chip and the solution perfuses across the cell through quartz-lined microfluidic channels; this solution is removed by capillary action when the next sample application is made.CHO-Kv1.3 cells were prepared for experiments by dissociation from T175 cell culture flasks using trypsin-EDTA (0.05%), cells were kept in serum free media in the cell hotel on board the QPatch HT. These cells were sampled, washed and re-suspended in extracellular recording solution by the QPatch HT immediately before application to the recording well site on the chip. Experiments were performed using the following solutions; extracellular solution contained (in mM); 150 NaCl, 10 KCl, 1 MgCl2, 3 CaCl2), 10 Glucose and 10 HEPES (pH 7.4, NaOH) and intracellular solution contained (in mM); 20 KCl, 120 KF, 10 HEPES, 10 EGTA, 5 ATP (pH 7.2, KOH).The potency (Inhibitory Concentration 50%, IC50) of synthesized compounds against Kv1.3 was determined from concentration-response relationships established by cumulatively applying four escalating concentrations of test compound to an individual cell and a minimum of N&#8805;3 individual cells of data per compound were used to generate the IC50 value.
12424	1	TBD	TBD
12425	1	Fluorescence Polarization Assay	The protocol for the CBX7 Fluorescence Polarization assay is as follows: A standard FP buffer (20 mM Tris, 250 mM NaCl, 0.01% w/v Tween20) at pH 8.0 is created and make up one stock solution at 1× final concentration in the FP buffer. The solution contains Human His6-CBX7 used with FITC-VARKme3SA, at 250 nM and 10 nM respectively. For 384 well assay formats, 10 uL of solution is added to each well of the assay plate and the plate is spun at 1000 rpm for 30 seconds. 100 nL of experimental compounds from stock plates are delivered by robotic pin transfer using a Janus Workstation (PerkinElmer), allowing the compounds to interact with CBX7 binding prior to assay measurement, followed by another spin and an incubation room temperature. Fluorescence Polarization measurements are performed on an Envision 2104 (PerkinElmer) utilizing the manufacturer&#39;s protocol that has the correct excitation and emission wavelengths, cutoff filters, delay time, etc. A crosstalk calculation is also done through the Envision software to correct for luminescence for adjacent wells while reading the plate.
12425	2	AlphaScreen Assay	The protocol for the CBX7 AlphaScreen was as follows: a standard alpha buffer (50 mM HEPES, 150 mM NaCl, 0.1% w/v BSA, 0.01% w/v Tween20) at pH 8.0 and make up two stock solutions at 2× final concentration in the alpha buffer. Solution A contains Human His6-CBX7 is used with biotinylated-H3K27me3 (residues 20-34), at 100 nM and 50 nM respectively. Solution B contains 20 nM streptavidin donor beads and 20 nM nickel acceptor beads. For 384 well assay formats, 10 uL of solution A is added to each well of the assay plate and the plate is spun at 1000 rpm for 30 seconds. 100 nL of experimental compounds from stock plates are delivered by robotic pin transfer using a Janus Workstation (PerkinElmer), allowing the compounds to interact with CBX7 binding prior to assay measurement, followed by another spin and an incubation room temperature. Finally, 10 uL of solution B is added to each well, the plate is spun again and then incubated at room temperature.
12426	1	Inhibitory Activity of Compounds on TRKA and ALK-L1196M	Based on HTRF of Cisbio (Cisbio, Cat. 08-52) principle, TRKA and ALK-L1196M kinase activity detection platform were established to determine the inhibitory activity of compounds. The compound powder was dissolved in 100% DMSO (Sigma, Cat. D8418-11) to prepare a 10 mM storage solution. The compounds had an initial test concentration of 1000 nM and 10,000 nM respectively, were 3-fold serially diluted to obtain 11 samples for multiple hole inspection. RXDX-101 (WuXi AppTec. supplied) or Crizotinib (WuXi AppTec. Supplied) was used as positive reference compound.The gradient diluted compounds were mixed with 0.5 nM TRKA (Carna, Cat. 08-186)/ALK-L1196M (Carna, Cat. 08-529), 0.3 &#956;M/1 &#956;M TK Substrate-biotin and 90 &#956;M/30 &#956;M ATP (Sigma, Cat. A7699) in a Optiplate-384F plate (PerkinElmer, Cat. 6007299) and incubated at room temperature for 90 mins/120 mins. Then 0.67 nM Eu-TK-Antibody and 50 nM Streptavidin-XL-665 were added, mixed and incubated at room temperature for 60 min. The fluorescence value was obtained by Envision (PerkinElmer, #2014) (Excitation light, 320 nm; Emission light, 665 nm). The IC50 values of the compounds were calculated using XLFIT5 (IDBS) software.
12426	3	Inhibitory Activity of Compounds on TRKA, TRKB, TRKC and ROS1	The compound powder was dissolved in 100% DMSO (Sigma, Cat. D8418-1l) to prepare a 10 mM storage solution. The compounds had an initial test concentration of 100 nM, were 3-fold serially diluted to obtain 10 samples for multiple hole inspection. For TRKA, TRKB and TRKC kinase targets, Loxo-101 (Selleckchem, Cat. S7960) was used as positive reference compound; for ROS1, Staurosporine (Selleckchem, Cat. S1421) was used as positive reference compound. The gradient diluted compounds were mixed with TRKA/TRKB/TRKC/ROS1 kinase (Carna, Cat. 08-186/08-187/08-197/08-163) with final concentration of 2.5 nM/2.55 nM/2.5 nM/0.3 nM in a Optiplate-384F plate (PerkinElmer, Cat. 6007270), and incubated at room temperature for 10 minutes. After that, ATP was added with final concentration of 47.8 &#956;M/71.2 &#956;M/44.4 &#956;M/26.7 &#956;M, 3 &#956;M Kinase Substrate22 (GL Biochem, Cat. 112393) was added. The reaction was carried out at room temperature for 30 min/40 min/20 min/20 min respectively. 
12426	2	Inhibitory Activity of Compounds to ROS1-G2032R	Based on LanceUltra (Perkin Elmer, CR97-100) principle, ROS1-G2032R kinase activity detection platform was established to determine the inhibitory activity of compounds.The compound powder was dissolved in 100% DMSO (Sigma, Cat. D8418-11) to prepare a 10 mM storage solution. The compounds had an initial test concentration of 1000 nM, were 3-fold serially diluted to obtain 11 samples for multiple hole inspection. TPX-0005 (WuXi AppTec. supplied) was used as positive reference compound. The gradient diluted compounds were mixed with 0.016 nM ROS1-G2032R kinase (Abcam, Cat. ab206012), 50 nM LANCE Ultra ULight-poly GT peptide (PerkinElmer, Cat. TRF0100-M) and 2.6 &#956;M ATP (Sigma, Cat. A7699) in the Optiplate-384F plate (PerkinElmer, Cat. 6007299) and incubated at room temperature for 60 mins. 5 &#956;l 40 mM EDTA was used to stop the reaction. Then 2 nM Europium-anti-phosphotyrosine (PT66) (PerkinElmer, Cat. AD0069) was added and incubated at room temperature for 60 mins. The LANCE signal was obtained by EnVision™ (PerkinElmer, 2014) (Excitation light, 320 nm; Emission light, 665 nm). 
12427	1	Ret wt and RET V804M kinase assay	In 5x kinase buffer solution A, Ret wt or RET V804M kinase was mixed with pre-formulated and diluted compounds of different concentrations for 10 minutes in duplicate for each concentration. The corresponding substrate and ATP were added thereto, and reacted at room temperature for 20 minutes (both a negative and a positive control were set: the negative control is blank, the positive control is CEP-32496). Detection reagent (reagent in HTRF KinEASE-TK kit) was added after the reaction is complete, after 30 minutes of incubation at room temperature, Envision ELISA reader was used for detection of enzyme activities in the presence of compounds of the present disclosure with different concentrations, and the inhibitory activities of different concentrations of compounds on enzyme activity were calculated, Graphpad 5.0 software was used to fit the inhibitory activities on enzyme activity against different concentrations of compounds, and IC50 values were calculated.
12428	1	NOX Enzyme Inhibition Assay	The inhibition of NADPH oxidase (NOX), which is involved in the generation of reactive oxygen species in red mold, results in the suppression of normal hyphal growth and the formation of abnormal structures known as short-term conidia, thereby inhibiting germination. The abnormal phenotypes caused by the reduction of reactive oxygen species within the red mold can be easily observed through optical microscopy. Through this method, the ability to inhibit the generation of reactive oxygen species by NOX inhibition was evaluated.Specifically, to evaluate the activity of the compounds, a 0.1 mM concentration of the compound was added to a spore suspension of minimal medium diluted to 1/5 (MM20). Spores of the wild-type strain GZ3639 of red mold (105 spores/ml) were inoculated into the medium and incubated at 25° C. or 24 hours, followed by microscopic observation. Compounds that exhibited more than 50% inhibition of germination and short-term conidia formation compared to normal germination were selected for further activity evaluation at concentrations of 50 &#956;M, 25 &#956;M, and 10 &#956;M. Among these, compounds showing 95% germination inhibition at 10 &#956;M were further evaluated at concentrations of 5 &#956;M, 1 &#956;M, 0.5 &#956;M, and 0.1 &#956;M. Based on these results, the concentration of the compound at which the spore germination inhibition rate reached 50% (inhibitory concentration 50%, IC50) was determined.
12429	1	Btk In Vitro Inhibitory Activity Assay	Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. Measurements were performed in a reaction volume of 50 &#956;L using 96-well assay plates. Kinase enzyme, inhibitor, ATP (at the Km for the kinase), and 1 &#956;M peptide substrate (Biotin-AVLESEEELYSSARQ-NH2) were incubated in a reaction buffer composed of 20 mM Tris, 50 mM NaCl, MgCl2 (5-25 mM depending on the kinase), MnCl2 (0-10 mM), 1 mM DTT, 0.1 mM EDTA, 0.01% bovine serum albumin, 0.005% Tween-20, and 10% DMSO at pH 7.4 for one hour. The reaction was quenched by the addition of 1.2 equivalents of EDTA (relative to divalent cation) in 25 &#956;L of 1× Lance buffer (Perkin-Elmer). Streptavidin-APC (Perkin-Elmer) and Eu-labeled p-Tyr100 antibody (Perkin-Elmer) in 1× Lance buffer were added in a 25 &#956;L volume to give final concentrations of 100 nM and 2.5 nM, respectively, and the mixture was allowed to incubate for one hour. The TR-FRET signal was measured on a multimode plate reader with an excitation wavelength (&#955;Ex) of 330 nm and detection wavelengths (&#955;Em) of 615 and 665 nm. Activity was determined by the ratio of the fluorescence at 665 nm to that at 615 nm. For each compound, enzyme activity was measured at various concentrations of compound. Negative control reactions were performed in the absence of inhibitor in replicates of six, and two no-enzyme controls were used to determine baseline fluorescence levels.
12430	1	ROS Inhibiting Drug	A high-throughput screen was performed to find molecules that inhibit ROS production by neutrophils. Extracted human neutrophils were purified and kept in culture. The cells were then exposed to various drugs and ROS production was monitored over time. Compounds that also scavenged hydrogen peroxide (H2O2) and/or lowered neutrophil ATP levels (reflecting toxicity) were removed. The top hits from the screen were selected for further analysis.160 basal hits were tested for their ability to inhibit neutrophil ROS production. 64 molecules were able to inhibit ROS production in the presence of PMA activation. 67 molecules were able to inhibit ROS production in the presence of N-Formylmethionine-leucyl-phenylalanine (fMLP). Of those 47 molecules were able to inhibit ROS production by both stimulation methods.
12431	1	Measurement of the GluN2B Potency (pH=6.9)	The GluN2B potency and pH dependence of NP10679, NP10309, and other compounds in Tables 1 and 2 were evaluated on human GluN1-la/GluN2B receptors (hereafter GluN1/GluN2B) expressed in Xenopus laevis oocytes by measuring the IC50 values at pH 6.9 and 7.6, respectively.Two Electrode Voltage-Clamp Recordings from Xenopus laevis OocytesStage V-VI Xenopus laevis unfertilized oocytes were purchased from Ecocyte (Austin, Texas) and injected with 5 ng of GluN1 and 10 ng of GluN2B cRNAs. The cDNAs for human GluN1 and GluN2B, encoding NCBI reference sequences NM_007327.3 and NM_000834.3, respectively, were linearized and cRNAs made as previously described (Traynelis et al., J Neurosci, 1998, 18(16):6163-75). After injection, the oocytes were incubated in Barth&#39;s culture solution (88 mM NaCl, 1 mM KCl, 2.4 mM NaHCO3, 10 mM HEPES, 0.82 mM MgSO4, 0.33 mM Ca(NO3)2, 0.41 mM CaCl2), 10 U/mL PenStrep, and 0.1 mg/mL gentamycin, pH 7.4) at 18° C. Two electrode voltage-clamp (TEVC) recordings were made at 22-23° C., 2-7 days after the injection, using Warner OC725C amplifiers (VHOLD=&#8722;40 mV). Briefly, the oocytes were perfused in a recording solution (90 mM NaCl, 1 mM KCl, 10 mM HEPES, 0.01 mM EDTA, and 0.5 mM BaCl2) adjusted to either pH 6.9 by addition of NaOH or HCl, respectively (pH 6.9 solutions were prepared by addition of HCl to pH 7.6 solutions to maintain an equal concentration of Na+ ions in both solutions). 
12431	2	Measurement of the GluN2B Potency (pH=7.6)	The GluN2B potency and pH dependence of NP10679, NP10309, and other compounds in Tables 1 and 2 were evaluated on human GluN1-la/GluN2B receptors (hereafter GluN1/GluN2B) expressed in Xenopus laevis oocytes by measuring the IC50 values at pH 6.9 and 7.6, respectively.Two Electrode Voltage-Clamp Recordings from Xenopus laevis OocytesStage V-VI Xenopus laevis unfertilized oocytes were purchased from Ecocyte (Austin, Texas) and injected with 5 ng of GluN1 and 10 ng of GluN2B cRNAs. The cDNAs for human GluN1 and GluN2B, encoding NCBI reference sequences NM_007327.3 and NM_000834.3, respectively, were linearized and cRNAs made as previously described (Traynelis et al., J Neurosci, 1998, 18(16):6163-75). After injection, the oocytes were incubated in Barth&#39;s culture solution (88 mM NaCl, 1 mM KCl, 2.4 mM NaHCO3, 10 mM HEPES, 0.82 mM MgSO4, 0.33 mM Ca(NO3)2, 0.41 mM CaCl2), 10 U/mL PenStrep, and 0.1 mg/mL gentamycin, pH 7.4) at 18° C. Two electrode voltage-clamp (TEVC) recordings were made at 22-23° C., 2-7 days after the injection, using Warner OC725C amplifiers (VHOLD=&#8722;40 mV). Briefly, the oocytes were perfused in a recording solution (90 mM NaCl, 1 mM KCl, 10 mM HEPES, 0.01 mM EDTA, and 0.5 mM BaCl2) adjusted to either pH 7.6 by addition of NaOH or HCl, respectively (pH 6.9 solutions were prepared by addition of HCl to pH 7.6 solutions to maintain an equal concentration of Na+ ions in both solutions). 
12432	1	PDGFR&#946; LanthaScreen Assay	Step 1. Dispensing inhibitors: Using Echo, dispense 40 nL/well (or less) compound serial dilutions in DMSO onto the assay plate.Step 2. Dispensing Kinase-Tracer solution: Add 4 &#956;L/well Kinase-Tracer solution. Seal the plate with optically transparent plate seal. Centrifuge at 1000 rpm for 1 min.Final concentrations of components in the assay:[Tb-PDGFR&#946;]=0.2 nM;[Tracer 222]=40 nM;[DMSO]&#8804;1%.Step 3. Detection: Read TR-FRET signals after 18 hours incubation at room temperature.III. Calculations and Formulas% Inhibition: % Inhibition=(NC&#8722;sample)/(NC&#8722;PC)*100 where NC is the mean of negative control (reactions without inhibitor), and PC is the mean of positive control (1 &#956;M sunitinib).IC50 determination: Compounds are serially diluted 3-fold and tested in an 11-point dose response. IC50 values are determined from a 4-parameter fit, using the following equation: Y=Bottom+(Top&#8722;Bottom)/(1+10((Log IC50&#8722;X)*Hill slope)), where X=log10 of the compound concentration; top can be defined by PC; bottom defined by NC.
12432	2	PDGFR&#946; HTRF Assay	Assay in white ProxiPlate 384-wellStep 1. Dispensing inhibitors/DMSO and low control: Using the ECHO 555 acoustic dispenser, spot desired compound serial dilutions in DMSO, NEAT DMSO to represent the uninhibited enzyme control, and 10 &#956;M final [imatinib] to the represent the 100% inhibited enzyme controlStep 2. PDGFR&#946; E+I pre-incubation: Add 2 &#956;L 2× protein solution to columns 1-24 using the Multidrop Combi. Centrifuge at 1000 rpm for 1 min. Incubate 30 min at RTStep 2. Enzymatic reaction: Add 2 &#956;L substrate solution to columns 1-24 to initiate the reaction using the Multidrop Combi; cover/seal the assay plate to reduce evaporation. Centrifuge at 1000 rpm for 1 min. Incubate at room temperature for 3 hours.Final concentrations of components in PDGFRp cascade assay:50 mM Hepes, pH 7.510 mM MgCl20.01% Brij-351 mM EGTA2 mM DTT0.01% Ovalbumin50 &#956;M inactive PDGFR&#946;0.5 &#956;M TK-substrate biotin peptide62.5 nM SA-XL-665TK antibody-Eu3+-cryptate (diluted by 1/3 final from stock)800 &#956;M ATP&#8804;1% DMSOStep 3. Quench/Detection: Add 2 &#956;l 3× quench/detection solution to columns 1-24 using the Multidrop Combi; cover/seal the plate. Centrifuge 1 min 1000 rpm. Incubate at RT for 60 min. Read the plate in PHERAstar (or similar instrument) on HTRF setting at excitation 337 nm—dual emission—665/620 nm ratio.
12432	3	VEGFR ADP GLO Assay	Step 1. Dispensing inhibitors/controls: Using Echo, dispense 10 nL/well compound serial dilutions in DMSO to columns 1-22 (in 384-well plates) or columns 1-44 (in 1536-well plates). Dilution series=11 pt, 3-fold dilutions. The top compound concentration in the source plate is 4 mM. The top compound concentration in the assay plate is 10 uM. Using Echo, dispense 10 nl/well DMSO to column 23 (in 384-well plates) or columns 45-47 (in 1536-well plates). These wells will serve as negative control wells Using Echo, dispense 10 nl/well 400 uM TAK-593 in DMSO to column 24 (in 384-well plates) or column 48 (in 1536-well plates). The final concentration of TAK-593 in the assay should be 1 uM. These wells will serve as positive control wells.Step 2. Pre-incubation of inhibitors with kinase: Add 2 &#956;L/well 2× kinase solution. Centrifuge at 1000 rpm for 1 min. Incubate at room temperature for 30 min.Step 3. Kinase cascade reaction: Add 2 &#956;L/well 2× substrate/ATP solution to initiate kinase reactions. Centrifuge at 1000 rpm for 1 min. Incubate at room temperature for 180 min.Final concentrations of components in the assay:[VEGFR2]=5 nM;[ATP]=1.2 mM;[Srctide]=1 mg/mL;[DMSO]&#8804;1%.Step 4. Quench: Add 2 uL/well ADP Glo Reagent+0.05% CHAPS. Centrifuge at 1000 rpm for 1 min; Incubate at room temperature for one hour.Step 5. Detection: Add 2 uL/well Kinase Detection Reagent+0.05% CHAPS. Centrifuge at 1000 rpm for 1 min; Incubate at room temperature for 1 hour; Read Luminescence on a plate reader.
12433	1	CDKi Biochemical Assay	Biochemical assays measured the inhibitory effects of compounds in this disclosure on the enzymatic activity of CDK enzyme in complex with Cyclin protein partner by phosphorylation of Ser-780 (S780) on retinoblastoma protein peptide (RB1) in the presence of 1 mM adenosime-5-triphosphate (ATP) and varying concentration of test compound in 20 mM 2-[4-(2-hydroxyethyl)paperazin-1-yl] ethanesulfonic acid (HEPES), pH 7.5, 10 mM MgCl2, 1 mM dithiothreitol (DTT), 0.01% bovine serum albumin (BSA), 0.005% Tween 20. Total Reaction volume of 10 μL proceeded for 60 minutes at room temperature (25° C.) and were quenched with 5 μL of 200 mM 2′,2″,2′″-(Ethane-1,2-diyldinitrilo)tetraacetic acid (EDTA) pH 8.0 before addition of 5 μL detection solution containing 100 nM fluorophore conjugate streptavidin allophycocyanin (SA-APC), 2 nM Europium labelled Anti-p-RB(S780)-K (Perkin Elmer, 64CUSKAY), 50 mM HEPES, pH 7.5, 400 mM potassium fluoride (KF), 0.1% BSA, and 0.01% Tween-20. Phosphorylation of S780 on RB1 peptide (His-MBP-RB1[773-924]-SEQ ID NO. 9) was detected by TR-FRET after 3 hour incubation with detection solution. Percent phosphorylation activity was plotted against log concentration of compound to generate an apparent ICSO. The following CDK enzyme in complex with different cyclin proteins and protein peptide substrate were used in these assays: CDK1/CyclinB1, Avi-tag, 10 pM used in the assay CDK2/CyclinE1, Avi-tag, 100 pM used in the assay CDK4/cyclinD1, Avi-tag, 20 pM used in the assay CDK6/cyclinD3, Avi-tag, 10 pM used in the assay His-MBP-RB1[773-924], Avi-tag, 200 nM used in the assay
12434	1	SAE High Throughput Biochemical Assay Protocol	Assay buffer was prepared [50 mM HEPES, pH 7.5, 0.1% BSA and 10 mM MgCl2] as was the Stop Buffer [100 mM HEPES, pH 7.5, 0.05% Tween20, and 410 mM KF]. The 2×Reaction Buffer [80 nM SUMO-GST, 80 nM UBC9-His, 200 &#956;M ATP and diluted in Assay Buffer] and Antibody Reaction Mix [13.34 nM anti-GSTXL665, 1.66 nM anti-His EuK and Diluted in Stop Buffer] were also prepared. Compounds were dissolved at 200×in DMSO in a 384-well plate. Serial dilutions were performed in DMSO for each compound, and then each concentration was diluted another 50-fold in Assay Buffer, to 4× the final concentration. 2.5 &#956;L of each concentration was transferred into its own well in a 384-well plate. SAE1 was then diluted to 4× in Assay Buffer, and 2.5 &#956;L of 4×SAE1 was mixed into each compound-containing well. After incubating for 15 minutes at RT, 5 &#956;L of 2×Reaction Buffer was mixed into every well. Then after another 45 minutes at RT, 10 &#956;L of Antibody Reaction Mix was added and mixed into every well. This plate was then read on an HTRF-compatible plate reader after 2 hours at RT, and again after sitting at RT overnight. [Final Component Concentrations: SAE1: 12.5 nM; SUMO-GST: 40 nM; UBC9-His: 40 nM; Anti-GST-XL665: 6.67 nM; Anti-His-EuK: 0.83 nM; and ATP: 100 &#956;M].
12435	1	BTK and BTK C481S Enzyme Assay	A 3-fold gradient concentration stock solution of 1000× compound was prepared using DMSO and diluted 100-fold to 10× compound stock solution using reaction buffer (50 mM HEPES, pH 7.5, 0.0015% Briji-35, 2 mM DTT, 10 mM MgCl2), and the 10× compound stock solution was transferred to a 384-well plate. Enzyme reactions were set up with BTK Kinase Enzyme System (Promega Catalog #V2941) or BTK (C481S) Kinase Enzyme System (Promega Catalog #VA7033). First, a 2× enzyme solution containing 10 nM BTK or 10 nM BTK C481S was prepared with reaction buffer and added to the plate, and incubated with the compound for 10 minutes. Then, a 2.5× substrate solution containing ATP (125 &#956;M) and Poly(Glu4, Tyr1) (0.05 &#956;g/&#956;L) was prepared with reaction buffer and added to the plate, and reacted at 20° C. for 90 minutes. Finally, the kinase activity was detected according to the experimental steps provided by ADP-Glo™ kinase Assay Kit (Promega, #V9101), and finally the luminescence chemiluminescence value was read. DMSO was used as the maximum signal value, and adding no enzyme was used as the minimum signal value.
12436	1	ADP-Glo Kinase Assay	The kinase activity of recombinantly generated catalytic kinase (also known as JH1) domain of human JAK1, JAK2, JAK3 and TYK2 were evaluated in a plate-based assay using the ADP-Glo&#153; Kinase Assay platform. Specifically, 4 nM of recombinant JAK1 kinase domain is used to phosphorylate 50 &#956;M of a JAK3-342 (sequence ALVDGYFRLTT) peptide in the presence of 35 &#956;M ATP. Catalytic activities of recombinant JAK2, JAK3 and TYK2 kinase domain (0.2, 0.3 and 2 nM, respectively) are evaluated by the phosphorylation status of the JAK3-974 (50 &#956;M; sequence LPLDKDYYVVR) peptide with the addition of ATP (15, 4 and 10 &#956;M, respectively). The reactions proceed for 100 minutes and the catalytic activity is quantified by first depleting the unused ATP, converting the hydrolyzed ADP into ATP to generate luminescence in a luciferase reaction; which is the basis of the ADP-Glo platform. Compounds are tested at either 10 &#956;M or 1 &#956;M top concentration, 11 points of 3-fold dilution.
12437	1	Binding Activity Against Human TrkA Protein	Measurements were made using TrkA LanthaScreen™ Eu Kinase Binding Assay (ThermoFisher SCIENTIFIC). Into 384 well plates (Corning), a 2.5 &#956;L solution having each concentration of the test compound (1) diluted in Kinase buffer (ThermoFisher SCIENTIC) and a 2.5 &#956;L having 15 nM TrkA enzyme (ThermoFisher SCIENTIFIC) were added. In addition, a 5 &#956;L having 3 nM Eu-anti-His Tag antigen (ThermoFisher SCIENTIFIC) and 5 &#956;L having 30 nM Kinase™ Tracer 236 (ThermoFisher SCIENTIFIC) were added, and allowed to react at room temperature for 60 minutes. After the reaction, the fluorescence ratio was calculated as the binding amount of the test compound (1) with TrkA enzyme, by measuring the fluorescence intensity (Emission wavelength 615 nm) and TR-FRET (Emission wavelength 665 nm) of Europium by the excitation wavelength of 340 nm using EnVision 2100 (PerkinElmer). The inhibitory activity (IC50 value) of the test compound (1) was calculated as 0% fluorescence ratio of the wells to which solvent was added instead of the test compound (1) and as 100% fluorescence ratio of the wells to which no TrkA protein was added.
12438	1	Binding Affinity Assay	The binding affinity of the described test compounds was determined using RED-tris-NTA His-tag labeled Cereblon ligand binding domain. The labeling of the Cereblon ligand binding domain was performed according to manufacturer&#39;s protocol in assay buffer (50 nM protein: 10 nM dye, 5:1 protein to dye ratio). 200 μM compound in assay buffer (10 mM HEPES pH 7.4, 300 mM NaCl, 0.1% Pluronic-147, 10% Glycerol, 5 mM DTT) was created from 10 mM compound stock in DMSO. A 16-point serial dilution was achieved by taking 10 μL of the 200 μM first well and diluting into 10 μL of assay buffer in the second well, which was diluted in 10 μL assay buffer in the third well, and so on. DMSO content of each well matched to 2%. 10 μL of 50 nM CRBN was added to each well and mixed thoroughly by pipetting. Final assay concentration of 25 nM labeled protein and highest compound concentration of 100 μM, 1% DMSO. Samples were incubated at room temperature in the dark for five minutes, then collected in standard Monolith capillaries. Assay was performed on the Monolith NT.155Pico using automated excitation level and medium power on M.O. Control software.
12439	1	Electrophysiology Assay	A programmable valve-linked pressurized perfusion system was used for local application of compounds nearby the cell recorded in a consistent flow rate of 2-3 ml/min. Series resistance was corrected and data were sampled at 5 kHz and low pass filtered at 2.4 kHz using MultiClamp 700B amplifier with pCLAMP11 software (Molecular Devices, USA). To evaluate the effect of test compounds on hKv7.2/3 currents at −40 mV membrane potential (the threshold for action potential initiation) a −40 mV pulse train protocol was conducted: Membrane potential is held on −90 mV and is then clamped to −40 mV for 1.5 seconds, followed by clamping the membrane to −60 mV to obtain tail currents for 0.75 seconds, and back to the −90 mV holding potential. An interval of 30 seconds in −90 mV holding potential is kept between the sweeps. After a steady baseline current is achieved, test compound is locally applied using the pressurized perfusion system until a maximal and stable channel modulation in −40 mV is achieved, as confirmed by recording of three similar consequent responses. Thereafter, in a similar manner, cells are perfused back to their control bath solution, to assess the reversibility of the effect of the compounds.
12440	1	Enzymatic Activity Assay	In the presence of SIK2 (resp. SIK1 or SIK3) and ATP the CHK-peptide (KKKVSRSGLYRSPSMPENLNRPR with C-terminal arginine amide modification) were phosphorylated at one of the four feasible serine&#39;s. Only one phosphorylation is observed under the assay conditions. 60 nl of each compound dilution series (12 point; dilution factor 3, generally 30 μM to 170 pM) in DMSO were transferred by acoustic dispensing to the assay plate and 30 min pre-incubated (ambient temperature) after the addition of 5 μl SIK1 (5 nM) resp. 5 μl SIK2 (0.5 nM) or 7 μl SIK3 (1.5 nM) in assay-buffer (12.5 mM HEPES (pH 7.0), 10 mM magnesium acetate, 0.005% BSA). 10 μM CHK-peptide solution and 5 μl 100 μM ATP for SIK1 & SIK2 resp. 3 μl for SIK3 in assay-buffer were added and incubated ambient for 45 min. 40 μl 0.125% formic acid in water were added to quench the reaction. RapidFire (RF) Mass Spectrometry was utilized for data generation as described below. The multiple charged species (3-5 charges) for the phosphorylated and non-phosphorylated form measured by MRM (Multiple Reaction Monitoring; API5000 or 6500+) or EIC (Extracted Ion Current; QToF) were summed up and the ratio calculated (sum phosphorylated species/sum all species) for data evaluation. Normalization was performed by Genedata software based on the non-inhibition control DMSO and the commercially available SIK inhibitor @ 1 μM YKL-05-099 (CAS number 1936529-65-5). 
12441	1	Electrophysiology Assay	HEK293 cells were cultured in DMEM with 4.5 g L-1 glucose, L-glutamine, and sodium pyruvate (Mediatech) containing 10% (v/v) FBS (Axenia BioLogix) and 1% (v/v) penicillin-streptomycin, at 37° C. and with 5% CO2. Cells were lifted with trypsin-EDTA (Life Technologies) and passaged to 6-well plates (Warner Instruments) 3-4 d before recording. Transient transfection was performed with Lipofectamine 2000 (Thermo Fisher Scientific) 2 days before recording. The plasmids of human Kir6.2 and SUR1 were the gift from Dr. Show-Ling Shyng (Oregon Health and Science University), and we fused mCherry fluorescent protein to the C-terminus of Kir6.2. The vector ratio for co-transfection of Kir6.2 to SUR1 was 1:10. Before recording, cells were lifted with trypsin-EDTA, kept in modified Tyrode&#39;s saline (140 mM NaCl, 5 mM KCl, 10 mM HEPES, 2 mM CaCl2), 1 mM MgCl2, 10 mM glucose, pH 7.2 ˜ 7.3 with HCl), and were used within 8 hours. For recording, an aliquot of cells was transferred to a recording chamber on a Nikon-TE2000 Inverted Scope (Nikon Instruments), and transfection was confirmed with fluorescent microscopy. The pipette solution contained: 145 mM KCl, 1 mM MgCl2, 5 mM EGTA, 2 mM CaCl2), 20 mM HEPES, 0.3 mM K2-ATP and 0.3 mM K2-ADP. Patch borosilicate pipettes (Sutter Instrument) were pulled from a Sutter P-97 puller with resistances of 2-3 MΩ. Data were acquired using a Axopatch 200B amplifier controlled by Clampex 10.2 via Digidata 1550 Å (Axon Instruments), sampled at 10 kHz, filtered at 2 kHz. Membrane capacitance was around 15 pF. Rs was around 5 MΩ. The membrane potential was held at −80 mV and a ramp to +80 mV (1 mV/ms) was applied every second. Bath was switched to 150 mM KCl, 10 mM HEPES, 2 mM CaCl2), and the chemical to be tested was dissolved in it and puffed with VC3-8xP pressurized perfusion system (ALA Science).
12442	1	In Vitro Enzyme IC50 Assays	Enzymatic activity of DPPIV, DPP8, DPP9, FAP, and PREP was measured at 25° C. on a Molecular Devices M2e multidetection microtiter plate reader, monitoring the fluorescence at an excitation wavelength of 380 nm and an emission wavelength of 460 nm. The substrate was either H-Gly-Pro-AMC for the DPPIV, DPP8, and DPP9 assays or Z-Gly-Pro-AMC for the FAP and PREP assays. The reaction mixture contained 25 μM substrate, enzyme, bufferA (DPPIV and DPP9), buffer B (DPP8), buffer C (FAP), or buffer D (PREP) and a suitable amount of inhibitor (ranging between 10−4 and 10−11M) in a total volume of 210 μL. The final enzyme concentrations were 0.1, 0.8, 0.4, 1.2, and 0.6 nM for DPPIV, DPP8, DPP9,FAP, and PREP, respectively. The IC50 value is defined as the concentration of inhibitor required to reduce the enzyme activity by 50% after a 10 min preincubation with the enzyme at 25° C. prior to addition of the substrate. Inhibitor stock solutions (100 mM) were prepared in either a pH 2.0 HCl solution for compounds 1 and 20 or DMSO. Those prepared in pH 2.0 solution were preincubated at 25° C. for 4 h prior to dilution. Immediately prior to the commencement of the experiment, the 100 mM stocks were further diluted to 10−3M in the appropriate assay buffer, from which 1:10 serial dilutions were prepared. All inhibitors were tested in triplicate.
12443	1	Affinity Assays Using Enzyme Activity Assay	Buffer 1 (50 mM HEPES, 0.1 M NaCl, pH 7.5) was used to prepare a 0.4 μg/mL rhPSMA solution and a 40 μM solution of the substrate N-Acetyl-Asp-Glu. rhPSMA was mixed with the small molecules to be tested in a 96-well plate, with a constant rhPSMA content of 50 ng/well maintained. Meanwhile, the small molecules were step-wise diluted to final concentrations of 1 μM, 100 nM, 33.3 nM, 11.1 nM, 3.7 nM, 1.2 nM, 0.41 nM, 0.137 nM, 0.045 nM, and 0 nM. In addition, a positive control was set up using PSMA-617. The rhPSMA-small molecules were taken at 40 μL/well and well mixed with the 40 μM solution of the substrate N-Acetyl-Asp-Glu (40 μL/well). The mixtures were incubated at 37° C. in the dark for 1 h, were heated at 70° C. for 5 min to quench the reactions, and were cooled to room temperature. Buffer 2 (0.2 M NaOH, 0.1% beta-Mercaptoethanol) was used to prepare a 15 mM OPA solution. The OPA solution was added to the reaction systems at 80 μL/well and well mixed, and then the plate was incubated at room temperature for 10 min. The mixtures were taken at 100 μL/well and added to a 96-well Flat Black. With the excitation wavelength set to 330 nm and the emission wavelength to 465 nm, the intensity of signals was measured.
12444	1	In Vitro Binding Test of Compound and PSMA Protein	A Biacore 8K (Cytiva) instrument was used to determine the binding affinity of disclosed compounds to the PSMA protein (Sinobiological). The PSMA protein was captured on SA chips. Before immobilizing the disclosed compounds (flow path 1 and 2, flow rate 10 μL/min), the PSMA protein was immobilized on flow path 2 by using flow buffer (10 μg/ml, flow rate 5 μL/min, injection time 600 s), and 1M NaCl was injected three times consecutively into 50 mM NaOH to condition the sensor surface. After each disclosed compounds injection, isopropanol in 1M NaCl and 50 mM NaOH was used for additional washing (flow path 1, 2, flow rate 10 μL/min, injection time 60 s). All compounds were dissolved in 100% DMSO and diluted to 10 mM, and then diluted in test buffer (PBS, pH 7.4, 1 mM TCEP (tris-(2-hydroxyethyl)phosphine), 0.05% P20, 2% dimethyl sulfoxide) at an appropriate highest concentration.
12445	1	Evaluation of Kv1.3 Potassium Channel Blocker Activity Assay	This assay is used to evaluate the disclosed compounds&#39; activities as Kv1.3 potassium channel blockers. The cells were bathed in an extracellular solution containing 140 mM NaCl, 4 mM KCl, 2 mM CaCl2), 1 mM MgCl2, 5 mM glucose, 10 mM HEPES; pH adjusted to 7.4 with NaOH; 295-305 mOsm. The internal solution contained 50 mM KCl, 10 mM NaCl, 60 mM KF, 20 mM EGTA, 10 mM HEPES; pH adjusted to 7.2 with KOH; 285 mOsm. All compounds were dissolved in DMSO at 30 mM. Compound stock solutions were freshly diluted with external solution to concentrations of 30 nM, 100 nM, 300 nM, 1 μM, 3 μM, 10 μM, 30 μM and 100 μM. The highest content of DMSO (0.3%) was present in 100 μM. Voltage Protocol: The currents were evoked by applying 100 ms depolarizing pulses from −90 mV (holding potential) to +40 mV were applied with 0.1 Hz frequency. Control (compound-free) and compound pulse trains for each compound concentration applied contained 20 pulses. 10-second breaks were used between pulse trains. Patch Clamp Recordings and Compound Application. Whole-cell current recordings and compound application were enabled by means of an automated patch clamp platform Patchliner (Nanion Technologies GmbH). EPC 10 patch clamp amplifier (HEKA Elektronik Dr. Schulze GmbH) along with Patchmaster software (HEKA Elektronik Dr. Schulze GmbH) was used for data acquisition. Data were sampled at 10 kHz without filtering. Passive leak currents were subtracted online using a P/4 procedure (HEKA Elektronik Dr. Schulze GmbH). Increasing compound concentrations were applied consecutively to the same cell without washouts in between. Total compound incubation time before the next pulse train was not longer than 10 seconds. Peak current inhibition was observed during compound equilibration.
12446	1	Inhibitory Effect on SARS-COV-2 Infection	In order to confirm the inhibitory effect of the novel 6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one derivatives against SARS-COV-2 infection, the Vero cell line was cultured for 24 hours, dosed with example compounds at ten concentrations ranging from 0.1 micro M (micro gram) to 50 micro M, and infected with the SARS-COV-2 provided from the Korea Centers for Disease Control and Prevention (KCDC). Specifically, the Vero cells were seeded at 1.2×104 per well into a 384-well tissue culture plate. On the next day, the compound at a concentration of 50 micro M was serially diluted two-fold to prepare compounds at ten concentrations and treated with Vero cells. Soon after, the cells treated with the compound were infected with SARS-COV-2 (COVID 19) and cultured at 37° C. for 24 hours. Then, the cells were fixed and permeabilized. After that, the cells were treated with anti-SARS-COV-2 Nucleocapsid (N) primary antibody and then stained by treatment with Alexa Fluor 488-conjugated IgG secondary antibody and Hoechst 33342. Fluorescent expression was obtained using an Operetta large image analyzer (Perkin Elmer).
12447	1	Biochemical Evaluation	Proteins used as transcription factors (POLRMT: NP_005026.3, TFAM: NP_003192.1, TFB2M: NP_071761.1) are diluted from their stocks to working concentrations of 1 μM, 20 μM and 4 μM respectively, in a dilution buffer containing 20 mM Tris-HCl (pH 8.0), 200 mM NaCl, 10% (v/v) glycerol, 1 mM Dithiothreitol (DTT), 0.5 mM EDTA.DNA template is a pUC18 plasmid with the mitochondrial light strand promotor sequence (1-477) cloned between HindIII and BamHI sites. The DNA template is restriction linearized proximal to the promotor 3′-end (pUC-LSP). The reaction mixture (10 uL) containing 7.5 nM POLRMT, 15 nM of TFB2M, 30 nM of TFAM, 0.5 nM of DNA template and 500 μM nucleotide triphosphate mix (NTPs) in a reaction buffer (containing 10 mM Tris-HCl (pH 7.5), 10 mM MgCl2, 40 mM NaCl, 10 mM DTT, 0.005% (w/v) Tween-20, 160 units/ml Rnase inhibitor and 0.1 mg/mL BSA) are dispensed to compounds in microplates, using a Thermo Multidrop® dispenser, and incubated at 37° C. in a VWR INCU-Line incubator for 60 minutes after mixing. No nucleotide triphosphate mix is added to negative control samples. Microplates with compounds to be tested in the assay are prepared from 10 mM compound stocks in 100% DMSO, equal amounts of DMSO without any compound are added to positive control and negative control samples.
12448	1	Automated Patch-Clamp Electrophysiology Functional Assay	Test compounds were assessed for their ability to modulate the function of the α7 nicotinic acetylcholine receptor both in the presence, and in the absence of the natural α7 agonist acetylcholine. A HEK cell line stably expressing both human RIC-3 and human α7 (PrecisION hnAChR α7/RIC-3, Eurofins Pharma, St. Charles, MO) was cultured in 175 cm2 triple-layer tissue culture flasks to no more than 90% confluency in DMEM/F-12 growth media supplemented with 10% heat-inactivated fetal bovine serum, 1% non-essential amino acids, 0.625 μg/mL Puromycin, and 400 μg/mL Geneticin. Immediately prior to assay, cells were detached by first aspirating growth media, rinsing with Dulbecco's phosphate buffered saline, and then adding 10 mL of Accutase (Innovative Cell Technologies, San Diego, CA) to the flask and then incubating at 37° C. for 5 minutes. Detached cells were then recovered by the addition of 40 mL of CHO-serum-free media supplemented with 25 mM HEPES, and rocked gently in a 50 mL conical tube for 20 minutes prior to patch-clamp assay. After recovery, cells were pelleted by centrifugation at 1,000 RPM for 1 minute in a compact bench top centrifuge; recovery media was aspirated and cells were resuspended in external recording solution (150 mM NaCl, 5 mM KCl, 2 mM CaCl2), 1 mM MgCl2, 10 mM HEPES, 12 mM dextrose) to a density of 5.0×106 cells/mL. The cell suspension was added to the cell inlet wells on an IonFlux HT population patch plate which had previously been rinsed and primed with deionized H2O. Test compounds were serially diluted in DMSO and then resuspended to the final test concentration in external recording solution, with, or without 40 μM acetylcholine added to the external recording solution; test compounds were then transferred to the IonFlux HT population patch plate. Internal recording solution (110 mM TrisPO4, 28 mM TrisBase, 0.1 mM CaCl2), 2 mM MgCl2, 11 mM EGTA, 4 mM MgATP) was added to the internal recording solution inlet wells on the IonFlux HT patch plate previously loaded with cells and test compounds, and the plate loaded into the IonFlux HT instrument.
12449	1	Isothermal Titration Calorimetry Studies of STAT3 Binding	The binding isotherm from the integrated thermogram fit using the one-site model in the PEAQ-ITC software generated from the titration of Compound 1 into purified STAT3 show KD of 880 nM. The signature plot show the thermodynamics parameters for the titration reveals ΔH=−21.1 kJ/mol, ΔG=−34.6 kJ/mol, and −TΔS=−13.2 kJ/mol.
12450	1	Radioligand Assay	All synthesized ligands were evaluated in a radioligand assay by displacing 125I-[Sar1, Ile8]-Angiotensin II (Perkin Elmer, NEX248050UC) from human AT2R fused to Cb23 or human/rodent/cynomolgus/minipig/dog WT AT2R in HEK-293 cells membrane preparations, using C21 (Vicore Pharma) and Angiotensin II (endogenous ligand) as reference. The affinity was determined using an eight-point dose-response curve, each point performed in duplicates. The compounds were also evaluated in a counterscreen binding assay for displacement of 125I-[Sar1, Ile8]-Angiotensin II binding to human AT1R in HEK-293 cell membranes. For AT1R, the percent displacement was determined at 1 μM and 10 M (in duplicates) or using an eight-point dose-response curve, each point performed in duplicates with Candesartan and Losartan used as reference.For the AT2R/AT1R binding assays, cell membranes, expressing AT2R_Cb23, AT2R or AT1R, were incubated with 0.05 nM 125I-[Sarl, Ile8]-Ang II. The ligand competition assay was performed in a total volume of 100 μL assay buffer (50 mM Tris, 5 mM MgCl2, 1 mM EDTA, 0.1% BSA, pH 7.4), at concentrations ranging from 1 μM to 10 μM. For each experiment, each ligand concentration was tested in duplicate. Non-specific binding (NSB) was determined by the inclusion of 10 μM unlabeled [Sarl]-Ang II (Sigma Aldrich). The reaction was initiated by the addition of radioligand, after which the plates were incubated at 25° C. for one hour. The reaction was terminated by rapid filtration using a vacuum harvester, applying six washes with 100 μL of ice-cold wash buffer (50 mM Tris.HCl, pH 7.4). The filter plates GF/C (Perkin Elmer) were pre-soaked in 0.5% PEI. The residual amount of radioactivity was determined via liquid scintillation counting. IC50 values, representing the concentration at which each ligand displaced 50% of 125I-[Sarl, Ile8]-Ang II, were calculated using GraphPad Prism 7.02 by applying a Non-linear regression equation (variable slope, four parameters) on the data.
12451	1	In Vitro DGK Inhibition Assays	DGK α and ζ kinase use ATP to phosphorylate the substrate 1,2-dilauroyl-sn-glycerol (DLG, incorporated in the liposomes). ATP is converted to ADP as a result of this enzymatic reaction. After the kinase reaction, an ATP-depletion reagent is added to terminate the kinase reaction and deplete any remaining ATP, leaving only ADP. Second, a detection reagent is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be converted to light using a coupled luciferase/luciferin reaction. A concentrated liposome solution was prepared in assay buffer without DTT and BSA: 2 mM of DLG in 21 mM of total liposome (2 mM DLG/8 mM PS/11 mM PC). The reaction mixtures contain the assay buffer with a final DLG concentration of 125 uM ATP concentrations of 25 μM (for DGKA assay) or 50 μM (for DGKZ assay). The reactions were started by addition of DGK α and ζ kinases at 4 nM and 2 nM final concentrations, respectively. After 1 hour reaction, the amount of ADP formed was detected with the ADP-Glo kinase assay (Promega) according to the manufacturer instructions. Compounds were added in 11-points dose response, starting at 10 mM, 1:3 dilutions, with a final DMSO concentration of 2%. The multidrop combi was used as a liquid handler and luminescence was read with 0.5 s by the envision reader (PE).
12452	1	5-HT2A and 5-HT2B Receptor Binding	The binding affinities of disclosed compounds at the ketanserin binding site of the 5-HT2A receptor and the LSD binding site of the 5-HT2B receptor were determined in radioligand binding experiments.Methods:[0631]Affinity of the test compounds for the 5-HT2A receptor was determined in radioligand binding experiments with [3H]ketanserin by WuXi AppTec (Hong Kong) Limited, using methods adapted from the literature and under conditions described in Table 1.TABLE 1Assay conditions for 5-HT2A receptor radioligand binding.Receptor Source HEK293 stable cell lineIncubation Vehicle 0.5% DMSOIncubation Time 1 hIncubation Temperature25° C.Incubation Buffer50 mM Tris-HCl, pH 7.4Ligand 1 nM [3H]ketanserinNon-Specific Ligand 1 μM ketanserin[0632]Affinity of the test compounds for the 5-HT2B receptor was determined in radioligand binding experiments with [3H]LSD by WuXi AppTec (Hong Kong) Limited, using methods adapted from the literature and under conditions described in Table 2.TABLE 2:Assay conditions for 5-HT2B receptor radioligand binding.Receptor Source HEK293 stable cell lineVehicle 1.0% DMSOIncubation Time 1 hIncubation Temperature25° C.Incubation Buffer50 mM Tris-HCl, pH 7.4Ligand 1 nM [3H]LSDNon-Specific Ligand50 μM serotoninResults:Results of the radioligand binding assays are shown in Table 3. Tested compounds showed substantial binding affinity for the 5-HT2A and 5-HT2B receptor. Compounds having the R configuration at position 9 were much more potent at the 5-HT2A receptor than those having the S configuration at this position. Tested compounds were more selective for the 5-HT2A receptor over the 5-HT2B receptor compared to the reference compound LSD.
12453	1	HTRF Binding Assay	Table A1: A recombinant human dual expressed Avi PRMT5/His-MEP50) protein (corresponding to amino acids for PRMT5 2-637, and 2-342 for MEP50 expressed in baculovirus) was incubated with target fragments in final buffer (25 mM ADA pH 7.2, 30 μM MTA, 1 mM TCEP, 50 mM NaCl, 0.002% Tween, 5 nM proprietary Tracer binding compound prepared in-house), overnight at 2-8° C. After overnight incubation the binding is monitored after the addition of 0.5 nM Anti-His-Tb (Cisbio) after 1 hr incubation at RT (˜20-24 hrs total binding time). The HTRF signal was measured using a Clariostar reader (BMG) excitation filter (Ex Tr), dichroic filter (LP TP) and emission filters (F 665-10 and F 620-10) manufacturer&#39;s instructions. 
12453	2	SPR Binding Assay	Table A2: In vivo biotinylated PRMT5-MEP50 was diluted to 4.5 μM in 25 mM Bicine pH 7.6, 100 mM NaCl, 1 mM TCEP, and 0.05% Tween-20 and injected at 5 μl/min flow rate into flow cell 2 (FC2) of a Series S Sensor Chip SA (Cytiva) in a Biacore T200 or in a Biacore 8K plus (Cytiva). SPR screening was performed in MTA running buffer (25 mM Bicine pH 7.6, 100 mM NaCl, 1 mM TCEP, 20 μM MTA, 0.05% Tween-20 and 2% DMSO). The biotinylated PRMT5-MEP50 surface was equilibrated with MTA running buffer for 12 hours prior to the start. The test compound affinity was determined using multi-cycle injection of each fragment from 0.001 to 500 μM over the PRMT5•MTA at a flow rate of 30 μl/min and with association and dissociation times of 20 and 60 seconds respectively. PRMT5•MTA surface activity was confirmed at the initiation, and the end of the run by titration of EPZ015666 (KD=11 and 13 μM respectively). Subsequently, compound titration was repeated in SAM-running buffer (25 mM Bicine pH 7.6, 100 mM NaCl, 1 mM TCEP, 20 μM SAM, 0.05% Tween-20, and 2% DMSO). The PRMT5•SAM surface was equilibrated for at least 5 hours prior to compound titration and the PRMT5•SAM surface activity was confirmed at the end of the fragment titration run by titration of EPZ015666 (KD<1 nM). After double referencing, the steady-state response was extracted for each fragment concentration and was fit to the Langmuir isotherm equation to determine the equilibrium dissociation constant (KD).
12453	3	PRMT5:MEP50 FlashPlate Assay	Table B1: The assay uses purified human, PRMT5 enzyme to convert S-adenosyl-L-[methyl-3H]methionine plus histone H4 L-arginine to S-adenosyl-L-homocysteine plus histone H4 [methyl-3H]-L-arginine. The assay was carried out using Streptavidin-coated FlashPlates (Perkin Elmer), which contained a scintillant embedded in the plastic of the plate. The histone H4 peptide substrate was conjugated with biotin, which binds to the streptavidin-coated well of the plate, placing the H4 peptide in close proximity to the side well and the scintillant. The transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the bound histone H4 peptide generated a radiolabeled histone H4, which was quantitated by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted in the presence and absence of MTA to determine whether the compounds exhibit MTA-cooperative activity. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC, determinations, the initial starting concentration for the serial dilutions of each compound was 50 μM. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity, 3 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 40 nM histone H4 peptide (amino acids 1-15)-Biotin conjugate for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 μM tritiated S-adenosyl methionine (final concentration) and the reaction is allowed to proceed for 20 min. The reaction was stopped and the amount of bound, tritiated H4 peptide in each sample was determined using a scintillation counter.
12453	4	PRMT5:MEP50 HotSpot Assay	Table B2: The assay uses recombinant full-length histone H2A as the PRMT5 substrate. Enzymatic transfer of the tritiated methyl group from S-adenosyl-L-[methyl-3H]methionine to the histone H2A protein generated a radiolabeled histone H2A4 by measuring in a scintillation counter to determine the activity of PRMT5 enzyme in the presence and absence of compound. The assay reactions also were conducted in the presence of MTA to determine whether the compounds exhibit MTA-cooperative activity. Briefly, compounds of the present invention were solubilized in 100% DMSO at a highest concentration of 10 mM. For IC50 determinations, the initial starting concentration for the serial dilutions of each compound was 50 μM. Control samples lacking compound, PRMT5/MEP50 complex or various reaction components also were prepared and processed in parallel with compound test samples. SAH was used as a positive control for assay validation. To measure PRMT5 inhibitory activity. 1 nM PRMT5/MEP50 complex (Reaction Biology Corporation) was preincubated with test compound in assay buffer containing 5 μM full-length histone H2A for 20 min at room temperature. The enzymatic reaction was initiated by adding 1 μM tritiated S-adenosyl methionine (final concentration) and the reaction was allowed to proceed for 60 min. The reaction was stopped and transferred to filter paper for detection. The amount of tritiated H2A in each sample was determined using a scintillation counter.
12454	1	JAK1 Kinase Inhibitory Activity Determination	1) 4 μL of the 2.5× compound to be tested was added to an HTRF 96 well low volume plate, and then 2 μL of 5× substrate was added from one side of the wells, 2 μL of 5×JAK1 was added from the other side of the wells; 2 μL of 1× kinase buffer was added in the blank control group; 2) the plate was sealed with a plate sealing film and placed in a centrifuge for centrifuging at 1000 rpm for 2 minutes; 3) 2 μL of 5×ATP was added to each well, and the plate was sealed with a plate sealing film, centrifuged at 1000 rpm for 1 min, and then put into an incubator at 30° C. for incubating 4 h; 4) at the end of incubation, 1 μM Streptavidin-XL665 and 1×TK-Antibody described above were mixed at a ratio of 1:1, then added to each well with a volume of 10 μL; the plate was centrifuged at 1000 rpm for 1 minute; 5) the plate was then put back into the incubator for incubating another 1 h; at the end of incubation, HTRF665/620 signals were read on a multifunctional microplate reader.
12454	2	JAK2 Kinase Inhibitory Activity Determination	1) 4 μL of the 2.5× compound to be tested was added to an HTRF 96 well low volume plate, and then 2 μL of 5× substrate was added from one side of the wells, 2 μL of 5×JAK2 was added from the other side of the wells; 2 μL of 1× kinase buffer was added in the blank control group; 2) the plate was sealed with a plate sealing film and placed in a centrifuge for centrifuging at 1000 rpm for 2 minutes; 3) 2 μL of 5×ATP was added to each well, and the plate was sealed with a plate sealing film, centrifuged at 1000 rpm for 1 min, and then put into an incubator at 30° C. for incubating 2 h; 4) at the end of incubation, 1 μM Streptavidin-XL665 and 1×TK-Antibody described above were mixed at a ratio of 1:1, then added to each well with a volume of 10 μL; the plate was centrifuged at 1000 rpm for 1 minute; 5) the plate was then put back into the incubator for incubating another 1 h; at the end of incubation, HTRF665/620 signals were read on a multifunctional microplate reader.
12454	3	JAK3 Kinase Inhibitory Activity Determination	1) 4 μL of the 2.5× compound to be tested was added to an HTRF 96 well low volume plate, and then 2 μL of 5× substrate was added from one side of the wells, 2 μL of 5×JAK3 was added from the other side of the wells; 2 μL of 1× kinase buffer was added in the blank control group; 2) the plate was sealed with a plate sealing film and placed in a centrifuge for centrifuging at 1000 rpm for 2 minutes; 3) 2 μL of 5×ATP was added to each well, and the plate was sealed with a plate sealing film, centrifuged at 1000 rpm for 1 min, and then put into an incubator at 30° C. for incubating 3 h; 4) at the end of incubation, 1 μM Streptavidin-XL665 and 1×TK-Antibody described above were mixed at a ratio of 1:1, then added to each well with a volume of 10 μL; the plate was centrifuged at 1000 rpm for 1 minute; 5) the plate was then put back into the incubator for incubating another 1 h. At the end of incubation, HTRF665/620 signals were read on a multifunctional microplate reader.
12455	1	Lantha Binding Assay	For the binding assay, 4 μL 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 μL 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23° C. incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters: TR_FRET, 340ex/615 and 665em; 100 psec Delay; and 200 psec integration.
12455	2	HTRF Enzymatic Assay	HPK-FL enzyme phosphorylates Biotin-SLP-76 substrate in the presence of ATP at 1 mM and varying concentrations of test compound. Product is detected by FRET using Eu-anti-pSLP76 Ab and SA-XL665. Also see www.cisbio.com/HTRF for additional HTRF technology information.Instrumentation:Echo555 compound dispenserAgilent BravoPerkin Elmer EnvisionFinal Assay Conditions:HPK full length, T165E S171E: 0.125 nMBiotin-SLP76: 100 nMATP: 1 mM (ATP Km=20 μM)Eu-anti-pSLP76: 2 nMSA-XL665: 8.3 nMPreincubation time: 30 minKinase reaction time: 60 minTemperature: ambientTotal volume: 12 μlATPapp Km: 17.7 μMMaterials:Assay plate: White ProxiPlate 384 F (PerkinElmer cat #6008289)Kinase: HPK full length double mutantSubstrate: Biotin-SLP76ATP: 100 mM ATPBSG: 2% BSGDMSO: DMSO (Sigma cat #34869-100ML)Reaction Buffer: H2O/50 mM HEPES, pH 7.5/10 mM MgCl2/2 mM TCEP/0.01% Brij-35/0.01% BSGDetection mix: Eu-anti-pSLP76/SA-XL665 (Cisbio, #610SAXAC).  To a 384 well Proxiplate with 80 nL compound or DMSO spotted on was added 4 μl/well kinase mix. The mixture was preincubated for 30 minutes and then 4 μl/well substrate mix was added. The solution was incubated for 60 min and then 4 μl/well detection mix was added. The solution was incubated for another 60 min. The plates were then loaded onto a Perkin Elmer Envision and the TR-FRET signal was measured at 615 and 665 nm. A ratio of 665/620 was used to calculate the % activity at each concentration of compound.
12456	1	Time-Dependent Inhibitory Assay	The time-dependent inhibitory effect of the test compound on the activity of human liver microsomal cytochrome P450 isoenzyme CYP2C19 was determined.Experimental MethodThe experiment was divided into two groups. In the first group, human liver microsomes (HLM) were used as the incubation system. The test articles with a series of concentrations were added to the incubation system, followed by the addition of a coenzyme factor (NADPH) solution. The preincubation was carried out at 37° C. for 30 minutes. After preincubation, a probe substrate solution was added thereto. After a certain period of incubation, the reaction was terminated. The amount of probe substrate metabolites generated in the incubation solution was determined, and the enzyme activity was calculated. In the second group, human liver microsomes (HLM) were used as the incubation system. The test articles with a series of concentrations were added to the incubation system, followed by the addition of potassium phosphate buffer. The preincubation was carried out at 37° C. for 30 minutes. After preincubation, a mixture of NADPH and the probe substrate was added thereto. After a certain period of incubation, the reaction was terminated. The amount of probe substrate metabolites generated in the incubation solution was determined, and the enzyme activity was calculated.[0370]First, the test compound (10.0 mM) was diluted by gradient to prepare a working solution (100× the final concentration) with concentrations of 5.00, 1.65, 0.500, 0.165, 0.0500, 0.0165, and 0.00500 mM, respectively. Simultaneously, working solutions were respectively prepared for positive inhibitors of the P450 isoenzyme CYP2C19, probe substrate, and NADPH. Human liver microsomes, stored in a refrigerator at a temperature below −60° C., were thawed on ice, and once fully dissolved, were diluted with potassium phosphate buffer (PB) to prepare a working solution of a specific concentration (0.169 mg/mL).Then, 147.5 μL of human liver microsomal working solution was added to the reaction plate, and the reaction plate was placed on ice for use; at this time, 2.50 μL of the test compound (N=1) and the working solution (N=2) of the positive control inhibitor at various concentrations were added to the corresponding wells, and the corresponding organic solvent was added to the group without inhibitors (test compound or positive inhibitor); the reaction plate was incubated for 10 minutes at 37° C., and then 50.0 μL of NADPH solution or potassium phosphate buffer was added to reaction wells of the first or second group, respectively, to start the reaction; the reaction plate was pre-incubated at 37° C. for 30 minutes; 50.0 μL of the substrate solution or a mixture of NADPH and the substrate was added to the reaction wells of the first or second group, respectively, to start the reaction.
12457	1	1RAK4 Kinase Activity Assay	The KinEASE-STK SI serine/threonine kinase kit (Cisbio) was used to test the inhibitory effect of the compounds on the IRAK4 kinase activity, and the method is specifically as follows: A compound was dissolved in dimethyl sulfoxide, and the solution was diluted in the buffer of the kit with an equal gradient, such that the final concentration range of the test compound in the reaction systems was 10,000 nM-0.038 nM. Then 2.5 nM 1RAK4 kinase (Carna), 1 μM biotinylated polypeptide substrate (Cisbio) and 7 μM adenosine triphosphate (Sigma-Aldrich) were sequentially added, and the mixtures were incubated at 37° C. for 120 min. Subsequently, an anti-phosphoserine/threonine antibody (Cisbio) conjugated with a europium element compound and conjugated modified XL665 streptavidin (Cisbio) were added to the reaction systems to stop the reactions. After 1 h of incubation at room temperature, the fluorescence intensity of each well was measured at the excitation wavelength of 337 nm and the emission wavelengths of 620 nm and 665 nm with a microplate reader EnVision (PerkinElmer) in the HTRF mode, and Ratio values were calculated using the formula Ratio=(665 nm/620 nm)×10s. The inhibition rate of the compound at each concentration was calculated by comparing the fluorescence intensity ratio with that of the control group. 
12458	1	Test Method for CD73 Enzyme Activity In Vitro	Human recombinant protein CD73 (Acro, Cat. No. CD3-H52H7) was prepared into a 0.04 ng/μL protein solution, and substrate AMP (Sigma, Cat. No. A1752-1G) was prepared into a 100 μM substrate solution. 5 μL of compounds at different concentrations were added into a 384-well white transparent bottom plate, 5 μL of 0.04 ng/μL recombinant CD73 enzyme solution was added, and the mixture was incubated at room temperature for 15 minutes. 10 μL of 100 μM substrate solution was added, the mixture was incubated at 37° C. for 40 minutes, 5 μL of Malachite Green Reagent A (R&D, Cat. No. DY996) was added, the mixture was incubated at room temperature for 10 minutes, and finally, 5 μL of Malachite Green Reagent B was added, the mixture was incubated at room temperature for 20 minutes, and a microplate reader PHERAstar FSX instrument was used to detect the absorbance at 620 nm. IC50 values were calculated using the origin9.2 software.
12459	1	SPH2 Allosteric Inhibition Assay and Binding	SHP2 is allosterically activated through binding of bis-tyrosyl-phosphorylated peptides to its Src Homology 2 (S12) domains. The latter activation step leads to the release of the auto-inhibitory interface of SHP2, which in turn renders the SH1P2 protein tyrosine phosphatase (PTP) active and available for substrate recognition and reaction catalysis. The catalytic activity of SHP2 was monitored using the surrogate substrate DiFMIP in a prompt fluorescence assay format.More specifically, the phosphatase reactions were performed at room temperature in 96-well black polystyrene plate, flat bottom, low flange, non-binding surface (Corning, Cat #3575) using a final reaction volume of 50 μl and the following assay buffer conditions: 60 mM HEPES, pH 7.2, 75 mM NaCl, 75 mM KCl, 1 mM EDTA 0.005% Brij-35, 5 mM DTT.The inhibition of SHP2 by compounds of the disclosure (concentrations varying from 0.003-100 μM) was monitored using an assay in which 0.25 nM of SH1P2 was incubated with of 0.5 μM of peptide IRS1_pY1172(dPEG8)pY1222 (sequence: H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) (SEQ ID NO: 4). After 30-60 minutes incubation at 25° C., the surrogate substrate DiFMUP (Invitrogen, cat #D6567, 100 μM final) was added to the reaction and the conversion of DiFMUP to 6,8-difluoro-7-hydroxyl-4-methylcoumarin (DiFMU) was monitored continuously for 10 minutes with excitation at 355 nm and emission at 460 nm using a microplate reader (PolarStar, BMG). The inhibitor dose response curves were analyzed using normalized IC50 regression curve fitting with control based normalization.
12460	1	In Vitro Phosphodiesterase Type 5 (PDE5) Inhibition Assay	Phosphodiesterase type 5 (PDE5) inhibition assay of compounds of formula I, III, and IV and the reference drug sildenafil were performed according to the manufacturer&#39;s instruction. Briefly, Black 96-well non-binding plates with wells were filled with 5 μ/mL of purified PDE5 from BPS Biosciences. The protein was treated with the substance or the vehicle control immediately, and each assay received 50 nM TAMRAcGMP (Molecular Devices). 1.5 hours at 30° C. were spent incubating the plates. The plates were then incubated for an additional 30 minutes at 30° C. with IMAP FP Phosphodiesterase Evaluation Assay (Molecular Devices) binding reagent added to each well. FP was measured using a Biotek Synergy 4 plate reader under the manufacturer&#39;s recommendations.
12461	1	RIPK2 Inhibition Assay	Method: In a 384-well plate, test compound diluted in assay buffer (1% DMSO final) is mixed with 8His-RIPK2 FL enzyme (final concentration of 8 nM). After 15 minutes of pre-incubation at RT, ATP dissolved in assay buffer is added (final concentration 5 μM). The mixture is incubated for 60 minutes at 37° C. in a humidified incubator. Then, ADP Glo Reagent is added, followed by a 40 minute incubation at rt. Finally, Kinase Detection Reagent is added and the entire mixture is incubated for 40 min at RT. The luminescence signal is measured with an Envision reader to determine the amount of ADP produced. Assay buffer: 25 mM HEPES (4-(2-hydroxyethyl)-1-piperazinethanesulfonic acid), 0.1% BSA (bovine serum albumin), 10 mM MgCl2, 5 mM MnCl2, 50 mM KCl, 0.01% CHAPS (3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate), 10 μM Na3VO4, 1 mM DTT (dithiothreitol), pH 7.5 All plates contain wells with vehicle controls instead of compound (1% DMSO) as reference for the high signal (100% CTL (100% of control), high signal), and wells without enzyme as reference for low signal (0% CTL, low signal). The luminescent signal generated is proportional to the ADP produced and is correlated with enzyme activity.
12462	1	Kinase Activity Assays for BRAF, CRAF and ARAF	In vitro enzymatic reactions were used for evaluating compounds intrinsic activity against BRAF, CRAF and ARAF. For BRAF and CRAF, 0.375 nM of purified GST-tagged kinases (cat #B4062-10 UG and cat #R1656-10 UG respectively from Millipore Sigma) were incubated with 75 nM of kinase-dead MEK1 substrate (cat #40075; BPS Bioscience) in the presence of 10 μM of Ultrapure ATP (cat #V9102; Promega; part V915A) with and without the test compound in a buffer containing 50 mM HEPES pH 7.5, 10 mM MgCl2, 1 mM EDTA, 0.01% Brij-35 and 2 mM DTT. Separate reactions were performed with the MEK1 substrate and ATP as a blank control. ARAF, kinase reactions were rigorously the same with the exception that kinase concentration was raised to 3.75 nM (cat #1768-0000-1; Reaction Biology).For compound treatment, 5 μL/well of test substance solution are placed in a 384-well proxyplate (Perkin Elmer) and mixed with 2× concentrated kinase reactions. The dilution series is selected so that nine concentrations cover a range from 100 nM to 0.01 nM. If necessary (if the compound exhibits low intrinsic potency) the initial concentration of 100 nM is changed to 1 μM, or 0.5 μM and further dilutions are carried out accordingly. The final concentration of DMSO in the assay is set at 0.05%.BRAF and CRAF kinase reactions were carried out for a total of 2 hours at 30° C. and then stopped by ½ dilution in ADP-Glo Reagent (cat #V9102; Promega; part V912C). Reactions were then incubated for 1h at room temperature before addition of one volume of Kinase Detection Reagent (cat #V9102; Promega; part V917A). 
12463	2	Time-Dependent Inhibition of Enzymatic Activity of Site of Metabolism of Midazolam in Human Liver Microsome CYP3A4	Table 7: A 100 mM PBS buffer was prepared. A 0.25 mg/mL microsome solution, a 7.5 mM MgCl2 and a 5 mM NADPH solution were prepared using the buffer. A 30 mM stock solution was diluted with DMSO to obtain 30 mM, 10 mM, 3 mM, 1 mM, 0.3 mM, 0.1 mM, 0.03 mM and 0 mM serial solutions I, which were further diluted 200-fold with phosphate buffer (PBS) to obtain serial test solutions II (150, 50, 15, 5, 1.5, 0.5, 0.15 and 0 μM). A midazolam working solution was diluted with PBS to 15 μM.The serial test solutions prepared above were well mixed by shaking and aliquoted in 20 μL portions into corresponding reaction plates (+NADPH, T0 and -NADPH groups were set). Three parallel tests were set. 40 μL of the liver microsome working solution was added to each 96-well plate. 20 μL of a corresponding substrate solution was added to the TO plate. 20 μL of NADPH was added to the TO plate and +NADPH group. A timer was started, and the plates were incubated in a water bath at 37° C. After 30 min of incubation, the TO plate was taken out, and the reaction was terminated with 250 μL of an internal standard-containing ACN solution. The +NADPH group was supplemented with 20 μL of the corresponding substrate solution, and the −NADPH group was supplemented with 20 μL of the corresponding substrate solution and 20 μL of NADPH. A timer was started, and the plates were incubated in a water bath at 37° C. After 30 min of incubation, the plates were taken out, and the reactions were terminated with 250 μL of an internal standard-containing ACN solution.
12463	1	Inhibition of Enzymatic Activity of Site of Metabolism of Testosterone in Human Liver Microsome CYP3A4	Table 6: I. Experimental Materials and Instruments1. Phosphate buffer (20×PBS, purchased from Sangon);2. NADPH (ACROS, A2646-71-1);3. Human liver microsome (Corning Gentest, Cat No. 452161, Lot No. 905002, Donor36);4. ABI QTrap 4000 LC-MS System (AB Sciex);5. ZORBAX Extend-C18, 3×50 mm, 3.5 m (Agilent, USA);6. CYP probe substrate (testosterone, Vocko, CAS No. [58-22-0]/75 μM) and positive control inhibitor (ketoconazole, SIGMA, Cat No. K1003-100MG).II. Experimental ProceduresA 100 mM PBS buffer was prepared. A 100 mM PBS buffer was prepared. A 0.25 mg/mL microsome solution, a 7.5 mM MgCl2 and a 5 mM NADPH solution were prepared using the buffer. A30 mM stock solution was diluted with DMSO to obtain 30 mM, 10 mM, 3 mM, 1 mM, 0.3 mM, 0.03 mM, 0.003 mM and 0 mM serial solutions I, which were further diluted 200-fold with phosphate buffer (PBS) to obtain serial test solutions II (150, 50, 15, 5, 1.5, 0.15, 0.015 and 0 μM). A testosterone working solution was diluted with PBS to 375 μM. 40 μL of a 0.25 mg/mL microsome solution prepared in 7.5 mM MgCl2 and 20 μL of each of the 375 μM testosterone working solution and the compound working solutions (150, 50, 15, 5, 1.5, 0.15, 0.015 and 0 μM) were measured out and well mixed. Ketoconazole at the same concentration was used in place of the compound as a positive control group. A 5 mM NADPH solution was simultaneously pre-incubated for 5 min at 37° C. After 5 min, 20 μL of NADPH was added to each well to start the reaction, and the system was incubated for 30 min. After 30 min, 250 μL of internal standard-containing acetonitrile was added to all the samples.
12464	1	MGAT2 Inhibitory Activity Assay	Solutions of the compounds of the present invention in DMSO were each aliquoted into 0.2·μL portions in a 384-well polystyrene microplate produced by Corning Incorporated, and 5 μL of an enzyme solution prepared with an assay buffer (100 mmol/L phosphate buffer (pH 7.4) containing 2 mmol/L DTT) and 5 μL of a substrate solution (100 mmol/L phosphate buffer (pH 7.4), 30 μmol/L 2-Oleoylglycerol, 10 μmol/L Oleoyl-CoA) were added thereto, and the resultant was stirred and centrifuged, and incubated in a moist chamber at room temperature for 1 hour. After enzymatic reaction, 50 μL of a quenching solution (containing 0.2 μmol/L Diolein-d5, 0.4% formic acid, and 50% isopropanol) containing Internal Standard (IS) was added to terminate the reaction, and the resultant was sealed in a plate produced by Shimadzu GLC Ltd., and then stirred and centrifuged, and measurement was performed by using an electrospray ionization method with a RapidFire360 and Agilent 6550 Q-TOF mass spectrometer. Diolein as a reaction product (P) of 2-Oleoylglycerol as the substrate and an ammonium adduct ion of the IS were detected, and the peak intensity ratio, P/IS, was calculated from the peak heights to evaluate the inhibitory activity. Inhibitory activities with/without addition of enzyme were defined as Control (+)/Control (−), respectively, and the respective % inhibitions were defined as 0% inhibition and 100% inhibition. 
12465	1	IRAK4 Enzyme Assay	The inhibitory activity of compounds against IRAK4 were determined in an enzymatic assay using mass spectrometry readout. Ten point half-log compound concentration response curves, with a top concentration of 1 μM or 10 μM, were generated from 10 mM stocks of compound solubilized in DMSO using an Echo 655 (Labcyte Inc) and added to 384 well assay plates (Greiner #781280). To the assay plates, 10 μL of human recombinant IRAK4 protein (Life Technologies #PV4002) diluted to a final concentration of 0.2 nM in assay buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl, 5 mM glutathione, 0.01% BSA, 3 mM ATP) was added. The enzyme was incubated with the compounds at room temperature for 15 minutes before a peptide substrate (KKARFSRFAGSSPSQSSMVAR, Innovagen custom synthesis, 10 mM in DMSO) was added to each well to a final concentration of 10 μM using an Echo 655 (Labcyte Inc). After two hours at room temperature, the reaction was stopped with 90 μL of 0.4% formic acid (Merck #33015). The unphosphorylated and phosphorylated peptide were measured by LC-MS/MS on a Waters TQ-S mass spectrometer. Peaks were integrated using the TargetLynx software and the ratios between phosphorylated and unphosphorylated peptides were calculated.
12466	1	HTRF Assay	PD-L1 His protein was prepared and added at the final concentration of 6 nM in the White opaque 384 well plate (Corning cat #3824BC). PD-L1 small molecule inhibitors were diluted by 3-fold starting from 20 μM and a final concentration of 0.001 μM and added to the well. PD-1 Fc protein was added at the final concentration of 6 nM. PD-L1 His protein, PD-L1 small molecule inhibitors, and PD1 Fc proteins were added to the well in this order, with each 5 μl volume, and were incubated for 15 minutes at room temperature. PAb anti-Human IgG-XL665 (Cisbio, cat #61HFCXLA) and Mab anti-6HIS Tb cryptate Gold (Cisbio, cat #61HI2TLA) were mixed at 6.7 nM and 0.35 nM respectively, and total 5 μl volume of mixture was added to the well and incubated at room temperature for 1 hour. The plate was read using PerkinElmer Envision plate reader and data was analyzed by Prism 6 software. 
12467	1	Pharmacological Activity Assay	The luminescent signal generated is proportional to the ADP concentration produced in a kinase assay in the presence and absence of the compound(s) and is correlated with the kinase activity. Two microlitres (μl) of enzyme mix consisting of 10 nM HPK1, 30 nM GLK, or 2 nM LCK in 1× reaction buffer (50 mM HEPES (pH7.2), 1 mM DL-Dithiothreitol (DTT), 0.005% (vol/vol) Brij35, 20 mM MgCl2) was spotted into Greiner 384-well low volume plate is with 0.1 μl of compound, which was dosed at 100, 31.25, 12.5, 3.19, 1, 0.32, 0.1, 0.032, 0.01 and 0.003 μM of final test concentrations and preincubated for 30 minutes at room temperature. Enzymatic reactions were initiated with 2 μl of peptide substrate/ATP mix (for HPK1: 10 μM LRRKtide (RLGRDKYKTLRQIRQ-amide; Cambridge Research Biochemicals, Billingham, UK), 30 μM ATP; for GLK: 14 μM LRRKtide, 60 μM ATP; for LCK: 100 μM LCKtide (EQEDEDEPEGIYGVLE-amide; Intonation, Boston, MA), 50 μM ATP) in 1× reaction buffer and incubated at room temperature for 60 minutes. 4 μl ADP-Glo Reagent was added to terminate the reactions and deplete the remaining ATP and incubated at room temperature for 60 minutes. Finally, 8 μl ADP-Glo Max Detection Reagent was added to simultaneously convert ADP to ATP and incubated at room temperature for 60 minutes. The newly synthesized ATP is converted to light using a luciferase/luciferin reaction. Luminescence was read by PHERAstar FSX plate reader (BMG LABTECH, Cary, NC) and the data was captured by PHERAstar FSX MARS data analysis software. 
12468	1	Radioligand Binding Assay	i. Prepared the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2  4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followed by 0.2 μM sterile filtration[0466]ii. Preparation of 8 doses of reference and test compounds starting from 10 mM stock solution as requested by 5-fold serial dilutions with 100%;[0467]iii. Prepared (v/v) DMSO: a. 50 μl/well of 0.5% (v/v) PEI was added to UniFilter-96 GF/B plates. The plates were sealed and incubates at 4° C. for 3 hrs; b. After incubation, the plates were washed 3 times with ice-cold wash buffer (50 mM Tris, pH7.4);[0468]iv. Preparation of assay plates: a. Cell membrane were diluted with assay buffer and 330 μl/well was added to 96 round deep well plates to reach a concentration of 20 μg/well; b. 8 concentrations of reference or test compounds were prepared and 110 μl/well wa added to 96 round deep well plates; c. [3H]-ketanserin was diluted with assay buffer to 5 nM (5× final concentration) and 110 μl/well was added to 96 round deep well plates.v. The plate was centrifuged at 1000 rpm for 30 secs and then agitated at 600 rpm, R.T. for 5 min.vi. The plates were sealed and incubates at 27° C. for 90 min.vii. The incubation was stopped by vacuum filtration onto GF/B filter plates followed by 4 times washing with ice-cold wash buffer (50 mM Tris, pH7.4).viii. The plates were dried at 37° C. for 45 min.ix. The filter plates were sealed and 40 μl/well of scintillation cocktail was added.x. The plate was read by using a Microbeta2 microplate counter.
12469	1	Determining 5-HT2A Binding Assay	Assays for determining 5-HT2A binding values were performed according to: Each of which is incorporated by reference in its entirety.Conc. Kd DetectionReceptors Source Ligand (nM) (nM) Non-specific Incubation Method5-HT2A (h) Human [3H] 0.5 0.6 Kentanserin 60 min rt Scintillation(antagonist recombinant kentanserin (1 μM) countingradioligand) (HEK-293 cells)Measured DetectionReceptors Source Stimulus Incubation component methodα1a (h) Human None rt Intracellular Fluorimetry(agonist recombinant (100 nM [Ca2+] effect) (CHO cells) epinephrine for control) α1a (h) Human Epinephrine rt Intracellular Fluorimetry(antagonist recombinant (3 nM) [Ca2+] effect) (CHO cells) α1b (h) Human None 30 min cAMP HTRF(agonist recombinant (100 nM 37° C. effect) (CHO cells) epinephrine for control) α1b (h) Human Epinephrine 30 min cAMP HTRF(antagonist recombinant (3000 nM) 37° C. effect) (CHO cells) α1d (h) Human None (1 μM rt Intracellular Fluorimetry(agonist recombinant epinephrine [Ca2+] effect) (CHO cells) for control) α1d (h) Human Epinephrine rt Intracellular Fluorimetry(antagonist recombinant (2.3 nM) [Ca2+] effect) (CHO cells)[0603]Results showing an inhibition (or stimulation for assays run in basal conditions) higher than 50% are considered to represent significant effects of the test compounds. 50% is the most common cut-off value for further investigation (determination of IC50 or EC50 values from concentration-response curves) that we would recommend.
12470	1	Comparison of Selectivity Towards the JAK Family	1. Experimental Method1.1. Pseudokinase (JH2) Experimental Operation was as Follows:1.1.1. Dissolve the compound with DMSO to a storage concentration of 10 mM.1.1.2. Prepare a compound with a concentration of 200 times the final concentration in a compound dilution plate by diluting it from the highest concentration point for a total of 4 concentration points using a 27 times dilution method, and transfer it to the Echo plate.1.1.3. Use an Echo instrument to pulse the compound from the Echo plate to a 384 experimental plate, thereby obtain the compound with 11 concentration points of the 3-fold dilution matrix.1.1.4. Add 5 ul 3×TYK2-JH2 or JAK1-JH2 pseudokinase to the 384-well experimental plate.1.1.5. Add 5 ul 3×Tb to the 384-well experimental plate.1.1.6. Add 5 ul 3× Tracer to the 384-well experimental plate.1.1.7. Centrifuge for 30 seconds and incubate at room temperature for 60 minutes.1.1.8. Read the signal value using Envision Microplate Reader (PerkinElmer).
12471	1	Inhibitory Activity on A2A and A2B Receptors Assay	The screening procedure was as follows:1. adjusting the cell density to 6×105 cells/mL with serum-free medium;2. adding 5 mL of cytosol, 2.5 mL of NECA (Sigma, 119140-10MG), and 2.5 mL of compound solution sequentially to each well of a 384-well plate (Greiner Bio-One, 784075), in which the final concentration of NECA is 1 μM (CHO-K1/ADORA2A) or 0.1 μM (CHO-K1/ADORA2B), and the final concentration of the compound starts from 3 μM to triple dilutions less than 3 μM;3. placing the 384-well plate in 37° C. incubator for 30 min;4. adding 5 μL of cAMP-d2 and 5 μL of cAMP-ab (Cisbio, 62AM4PEB) sequentially;5. leaving the 384-well plate at room temperature for 1 h, protected from light; and6. reading the plate (Victor X5, PerkinElmer) and analyzing the data by XLfit nonlinear regression to calculate the IC50 of the compound.
12472	1	Fluorescence Polarization (FP Assay)	The ability of the compounds to compete with a fluorophore-labeled HIF-la peptide fragment (FITC-HIF-1α 788-822) for binding to the PHD2 protein was tested using a 384-well black plate (model: Corining #3575) with a final test volume of 60 μL. The compounds tested and FITC-HIF-1α 788-822 were dissolved in DMSO and purified water, respectively, for later use. The compounds were serially diluted in an assay buffer to 12 concentration gradients, and then 20 μL of diluted 300 nM FIH protein was added to each well. Two replicates were set for each compound concentration, and a blank control (20 μL FITC-HIF-1α 788-822+40 μL assay buffer) and a negative control (20 μL FITC-HIF-1α 788-822+20 μL FIH+20 μL assay buffer) were set for each assay. The plate was incubated at room temperature for 1 h and scanned with a Synergy plate reader. The excitation wavelength was set to 485 nm, and the emission wavelength was set to 535 nm. The calculation formula was as follows: % inhibition rate=100−[1−(measured−value blank)/(negative value−blank)], and the inhibition rate corresponding to a specific concentration was obtained. The obtained data were imported into Graphpad prism 8.0 for analysis and fit to obtain IC50 values.
12473	1	Radioligand Binding Assay Protocol	Radioligand binding assays were performed using [3H]5-HT as the radioligand using cell membranes prepared from HEK293 cells expressing recombinant 5-HT2A, 5-HT2B and 5-HT2C(INI) receptors. Competition binding experiments consisted of addition of 5 μL of serially diluted test compound, 50 μL of radioligand stock diluted in Assay Buffer (20 mM HEPES, pH 7.4, 10 mM MgCl2), and 145 μL of diluted membrane expressing the receptor of interest to 96-well microtiter plates, which were then incubated for one hour at room temperature. Assay incubations were terminated by rapid filtration through Perkin Elmer GF/C filtration plates under vacuum pressure using a 96-well Packard filtration apparatus, followed by washing the filter plates several times with ice cold Assay Buffer. Plates were then dried at 45° C. for a minimum of four hours. Finally, 25 μL of BetaScint scintillation cocktail was added to each well and the plates were counted in a Packard TopCount scintillation counter. In each competition study, test compounds were assayed at 10 concentrations with three replicates at each test concentration. 
12474	1	Tyk2 JH2 Enzymatic Activity Assay	0.5 nM TYK2 protein (His-TVMV-TYK2 JH2 (575-869)), 0.2 nM terbium-labeled His antibody, fluorescein-labeled kinase tracer at the relevant Kd value, and the assay compound were added to a buffer solution containing 20 mM Hepes pH 7.5, 10 mM MgCl2, 0.015% Brij-35, 2 mM DTT, and 50 μg/mL BSA. The assay system was incubated at room temperature for 90 minutes. The resulting HTRF (homogeneous time-resolved fluorescence) signal, i.e., the ratio of the fluorescence intensity of the fluorescein acceptor (520 nm) and the terbium donor (495 nm) at the emission wavelength, was then measured on an Envision plate reader, and based on this, the IC50 value was calculated.
12475	1	Bcl-2 TR-FRET Assay	Compounds disclosed herein were tested for blocking of Bcl-2 protein with its ligand in an assay based on Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) methodology. Recombinant human 0.05 nM Bcl-2 protein was pre-incubated with a serial dilution of compounds disclosed herein (top final concentration is 1 uM or 0.1 uM or 0.02 uM or 0.01 uM, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 mM potassium phosphate buffer, pH 7.5, 50 mM NaCl. 1 mM EDTA, 0.05% Tween-20, 0.01% BSA. Then the FITC labeled Bak peptide Ac-GQVGRQLAIIGDK(FITC)INR-amide (0.5 nM) and MAb Anti 6His Tb cryptate Gold were added to plate and further incubated at room temperature for 1 hour. The TR-FRET signals (337 nm-520 nm-490 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of Bcl-2 interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the TR-FRET signals.
12475	2	Bcl-2-G101V TR-FRET Assay	Compounds disclosed herein were tested for blocking of Bcl-2-G101V protein with its ligand in an assay based on time-resolved fluorescence resonance energy transfer methodology. 0.1 nM recombinant human Bcl-2-G101V protein was pre-incubated with a serial dilution of compounds disclosed herein (top final concentration is 10 uM or 1 uM or 0.1 uM, 4-fold or 3-fold serially diluted, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 mM potassium phosphate buffer, pH 7.5, 50 mM NaCl, 1 mM EDTA, 0.05% Tween-20, 0.01% BSA. Then 5 nM FITC labeled Bak peptide Ac-GQVGRQLAIIGDK(FITC)INR-amide and Mab Anti-6His Tb cryptate Gold was added to plate and further incubated at room temperature for 1 hour. The TR-FRET signals (ex337 nm, em490 nm/520 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of Bcl-2-G101V interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 490 nm to that at 520 nm.
12475	3	Bcl-2-D103Y Biochemical Assay	Selected compounds disclosed herein were tested for blocking of Bcl-2D 103Y protein with its ligand in an assay based on time-resolved fluorescence resonance energy transfer methodology. 0.05 nM recombinant human Bcl-2 D103Y protein was pre-incubated with a serial dilution of compounds disclosed herein (top final concentration is 1 uM, 4-fold serially diluted, 10 points) at room temperature for 0.5 hour in an assay buffer containing 20 mM potassium phosphate buffer, pH 7.5, 50 mM NaCl, 1 mM EDTA. 0.05% Tween-20, 0.01% BSA. Then 2 nM FITC labeled Bak peptide Ac-GQVGRQLAIIGDK(FITC)INR-amide and Mab Anti-6His Tb cryptate Gold was added to plate and further incubated at room temperature for 1 hour. The TR-FRET signals (ex337 nm, em490 nm/520 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of Bcl-2 D103Y interaction with its ligand in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 490 nm to that at 520 nm. 
12476	1	Inhibition of ENPP1 hydrolysis of 2′,3′-cGAMP (Assay 1)	Test compounds were plated in a 3× dilution scheme in a 384 well plate. To 50 nL of test compound in DMSO was added 2.5 μL ENPP-1 ECD in Assay Buffer (Tris-HCl pH 8.0 (50 mM), NaCl (150 mM), and 0.01% Triton X-100 in water (2.5 nM final concentration). Enzyme was omitted in control wells reserved to define maximum inhibition (max). Control wells were reserved to define no inhibition (min), and DMSO was used in place of compound solution. The plate was centrifuged for 30 s, and the mixture was incubated for 30 min. 2.5 μL of 2,3-cGAMP in Assay Buffer (final conc: 24 μM; KM=24 μM) was added and the plate was centrifuged and incubated for 30 min. AMP-Glo™ Reagent I (Promega Corp.; 5 μL) was added, the plate was centrifuged for 1 min and incubated for 60 min. AMP Detection solution (100 μL) was added to each well, the plate centrifuged and incubated for 60 min. Luminescence was measured with an Envision plate reader, and % Inhibition was calculated for each well as: (([max−min]−[test−min])/[max−min].
12477	1	Inhibition of Nuclear Export	The ability of exemplary compounds of the invention to inhibit CRM1-mediated nuclear export was assessed in a RevGFP assay. Rev is a protein from human immunodeficiency virus type 1 (HIV-1) and contains a nuclear export signal (NES) in its C-terminal domain and a nuclear localization signal (NLS) in its N-terminal domain. Nuclear export of Rev protein is dependent on the classical NES/CRM1 pathway (Neville et al. 1997). Nuclear accumulation of Rev can be observed in cells treated with specific inhibitors of CRM1, such as LMB (Kau et al. 2003).In this assay, U2OS-RevGFP cells were seeded onto clear-bottomed, black, 384-well plates the day before the experiment. Compounds were serially diluted 1:2 in DMEM, starting from 40 μM in a separate, 384-well plate, and then transferred onto the cells. The cells were incubated with compound for about 1 hr before fixation with 3.7% formaldehyde and nuclei staining with Hoechst 33258. 
12478	1	Assay for the inhibitory effect on the SHP2 enzyme	A mixed liquor of 2× working SHP2 reagent (0.4 nM) and 0.5 μM SHP-2 activated peptide (BPS bioscience #79319-2) was prepared with 1× enzyme buffer. After the above-mixed liquor was incubated at 25° C. for 60 minutes, 5 μL of activated SHP2 kinase solution was transferred with a pipettor to the compound wells and the Max control wells (Corning, #4514) of the plate. Then 5 μL of 1× kinase buffer was transferred to the Min control wells. The plate was centrifuged at 1000 rpm for 30 seconds, sealed, and incubated in a 25° C. constant-temperature incubator for 30 minutes. A substrate solution of DiFMUP (#D6567, Invitrogen™) was prepared with 1× kinase buffer, and its concentration should be 2 times as the final concentration of the assay (DiFMUP final concentration: 10 μM). 5 μL of the prepared substrate solution was transferred with an electric pipettor into each well of the ELISA plate to start the reaction. The plate was centrifuged at 1000 rpm for 30 seconds, sealed, and incubated in a 25° C. constant-temperature incubator for 60 minutes. Read the plate at the excitation/emission wavelength of 358/455 nm after the ELISA plate was placed on the Spark machine.
12479	1	PRMT5 Inhibitory Activity Assay In Vitro	1. Enzyme Reaction Process(1) 1× Assay buffer (modified Tris buffer) was configured.(2) Dilute compound: the compound was dissolved in 100% DMSO and the compound solution was added to a 384-well plate using Echo 550.(3) Configure enzyme solution: PRMT5 was added to 1× assay buffer to prepare enzyme solution 1; PRMT5 and MTA was added to 1× assay buffer to prepare enzyme solution 2.(4) Configure substrate solution: peptide segments and [3H]—SAM was added to 1× assay buffer.(5) 15 μL of enzyme solution was added to the 384-well plate, and 15 μL of 1× assay buffer was added to the negative control well, and incubated at room temperature for 30 minutes.(6) 15 μL of substrate solution was added to each well, and incubated at room temperature for 90 minutes.(7) Configure termination reaction solution: pre-cooled SAM was added to 1× assay buffer.(8) 10 μL of termination reaction solution was added to each well to terminate the reaction.(9) 25 μL/well of the mixed solution was transferred to Flashplate and incubated for 1 hour at room temperature.(10) the Flashplate three was washed times with dH2O+0.1% Tween-20 solution.(11) the radiometric values was readed with Microbeta.
12480	1	Steroid Inhibition of TBPS Binding	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na—K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 mL) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 mL aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 mM GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 mM unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry.
12481	1	Enzyme Activity Inhibition Assay	The scintillation Proximity Assay (SPA) method was used to determine the inhibitory effect of compounds on the activity of PDE4D catalytic domain. Human PDE4D catalytic domain protein was obtained by expression and purification in E. coli. The positive compound Apremilast was purchased from Topscience Biochemical, Microplate Scintillation Counter (MicroBeta2, Perkin Elmer), constant temperature water bath (DK420, Shanghai Medical Device Factory), Micro-vibrator (XW-80A, Shanghai Jingke Industrial Co., Ltd.) are a public instrument in the radioactive laboratory, and the step-by-step pipette (Multipette Plus, Eppendorf) and supporting tips were purchased from Ebende Biotechnology Company, 3.5. [3H]-cAMP, scintillation beads (RPNQO150, Perkin Elmer), and 96-well scintillation microplates (Isoplate-96, Perkin Elmer) were purchased from Perkin Elmer Company. 10× SPA buffer was prepared in the laboratory (500 mM Tris pH7.5, 83 mM MgCl2, 17 mM EGTA).In the experiment, 60 μl water and 10 μl reaction solution were added into 100 μl total volume reaction to achieve the final concentration of each component being 50 mM Tris-HCl, pH7.5, 8.3 mM MgCl2, 1.7 mM EGTA, 10 μl compound and 10 μl enzyme (0.1 ng/ul). Finally, 10 μl [3H]-cAMP (0.005 μCi/μl) was added and incubated for 30 min at 30° C. in a water bath. 50 μl SPA beads was added to quench the reaction, shaked appropriately, and stood for 20 minutes. A microplate scintillation counter was used
12482	1	Fluorescence assay (FRET)	Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low volume, round-bottom, 384 well microplates were used. In a typical assay, 0.85 μL of test compound was dissolved in DMSO then incubated with SARS-CoV-2 3CL-protease (10 nM) in 10 μL assay buffer (50 mM HEPES [pH 7.5], 1 mM DTT, 0.01% BSA, 0.01% Triton-X 100) for 30 min at RT. Next, 10 μL of 3CL-protease substrate (40 μM) in assay buffer was added and the assays were monitored continuously for 1 h in an Envision multimode plate reader operating in fluorescence kinetics mode with excitation at 540 nm and emission at 580 nm at RT. No compound (DMSO only) and no enzyme controls were routinely included in each plate. All experiments were run in duplicate. Data Analysis: SARS-CoV-2 3CL-protease enzyme activity was measured as initial velocity of the linear phase (RFU/s) and normalized to controlled samples DMSO (100% activity) and no enzyme (0% activity) to determine percent residual activity at various concentrations of test compounds (0-10 μM). Data were fitted to normalized activity (variable slope) versus concentration fit in GraphPad Prism 7 to determine IC50.
12483	1	Biological Assay	The Polθ ATPase assay was used to evaluate inhibitors of Polθ ATPase activity, in vitro. Experiments were performed using a truncated Polθ protein (Polθ-Hel containing the helicase domain (67-894), ATP and a DNA single strand Oligo (5′-CTGTCCTGCATGATG-3′) in the Polθ assay buffer (20 mM Tris-HCl (pH 8.8), MgCl2 5 mM, tween20 0.01%, NP40 0.01%, BSA 0.01%, DTT 1 mM). 2 μL of assay buffer containing Polθ-Hel protein (0.5 nM) and DNA substrate (500 nM) was transferred into assay ready plates, containing 0.04 μL of compounds diluted in DMSO. After a 30 minutes incubation at 23° C. in the dark, the reaction was triggered by adding 2 μL of ATP (60 μM), in assay buffer. After 60 minutes at 23° C., 4 μl of ADP-Glo™ Reagent (Glo 1) was added followed by 40 minutes of incubation, then 8 μl of ADP-Glo™ kinase Detection Reagent (Glo 2) followed by 60 minutes of incubation at 23° C. Luminescence was then measured using Tecan F200 infinite plate reader. Raw data were analysed using GeneData to generate IC50 values.
12484	1	In Vitro Enzymatic BACE1 and BACE2 FRET Assays	The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequently transfected into mammalian cell lines. These recombinant proteins were further purified using Ni-NTA affinity chromatography (Qiagen). The assay buffer used in these screens is 0.05 M acetate, pH 4.5, 8% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Micelle Concentration). The Beta Secretase enzyme (0.02 nM for BACE1 and 0.64 nM for BACE2) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, are added thereto. This assay is effectively started by the addition of FRET substrate (50 nM) and the combination is incubated for one hour. The FRET assay is terminated by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (excitation 488 nm and emission 590 nm).
12484	2	In Vitro Enzymatic Cathepsin D (Cat D) FRET Assay	Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme (9 nM) is pre-incubated for one hour with inhibitors, typically in about 1 uL of DMSO according to a serial dilution, is added thereto. The assays are effectively started by the addition of different FRET substrates (20 nM for Cat D) and the combination is incubated for one hour. The FRET assay is terminated with by addition of Tris buffer, which raises the pH to neutrality, and the fluorescence is determined. The FRET substrate is a peptide with commercially available fluorophore and quencher, on opposite sides of the BACE cleavage site. The Cat D substrate peptide sequence is based on sequence #1 of Table 1 from Gulnik et al. FEBS Letters v413 p 379-384 1997. Proteolytic cleavage of the FRET substrate releases quenching of fluorescence (Cat D excitation 500 nm and emission 580 nm).
12485	1	LpxC Enzymatic Activity Assay	The experimental procedure is briefly described as follows: The test compound was first dissolved in DMSO to prepare a 10 mM stock solution. The reaction was carried out in a 96-well microplate. First, 20 μL of recombinant Pseudomonas aeruginosa LpxC (purchased from Signalway Antibody, product number AP74647-2) was added to each well, with a final concentration of 5 nM. 5 μL of the compound to be tested was then added, and the compound was diluted 4 times to 8 concentration points with a concentration range of 0.61-10,000 nM. 5 μL of LpxC substrate UDP-3-O—(R-3-hydroxydecanoyl)-GlcNAc (purchased from Biosynth Carbosynth, product number: mu75071) was added, with a final concentration of the substrate of 10 μM. The plate was incubated at 25° C. for 120 minutes. Then 20 μL of 2.0 mg/mL fluorescamine (purchased from sigmaaldrich, product number: F9015, solvent: 1:1 dimethylformamide/acetonitrile) was added to the reaction system, and mixed well for 10 minutes of reaction. Finally, 50 μL of 200 mM sodium phosphate buffer (pH 8.0) was added to terminate the reaction. Reading was carried out using a microplate reader (BMG), and the excitation and emission wavelengths were 390 and 495 nm respectively.
12486	1	In-Vitro Biochemical TR-FRET Assay	Avi-humanTEAD4217-434 (1 nM, produced as described in Hau et al. ChemBioChem 14, 1218, 2013) and LANCE Eu-W1024 Streptavidin (0.5 nM, PerkinElmer) were first pre-incubated for 1 h at room temperature in HEPES (pH 7.4, 50 mM), KCl (100 mM), Tween-20 (0.05%), TCEP (0.25 mM), EDTA (1 mM), and BSA (0.05%)]. N-terminus Cy5 labeled humanYAP60-100 (20 nM) was then added to this preparation. Compounds were dissolved at 10 mM in 100% DMSO and serial dilutions were made in 100% DMSO. The diluted compound solutions were incubated in white 384-well plates (Greiner Bio-One) for 1 h at room temperature with the above described mix. The final DMSO concentration present in the assay was 1%. The fluorescence was measured (50 us delay between excitation and fluorescence, 75 us integration time) with a Genios Pro reader (Tecan) and use of an excitation wavelength of 340 nm and emission wavelengths of 620 nm and 665 nm. Data analyses were carried out by using the TR-FRET ratio emission 655 nm/620 nm. 
12487	1	Competitive Inhibition Assay	PSMA binding affinities of the compounds were determined using a competitive inhibition assay as previously reported. Banerjee et al., 2011. FAP, prolyl endopeptidase (PREP), and dipeptidyl dipeptidase 4 (DPPIV) inhibition assays: Recombinant enzymes (FAP, PREP, DPPIV) were purchased from R&D Systems (Minneapolis, MN). FAPI-04 was used as a positive control. Z-Gly-Pro-AMC was used as a substrate for FAP and PREP. H-Gly-Pro-AMC was used as a substrate for DPPIV. The recombinant enzyme (0.4 μg/mL) was incubated with varying amounts of the test articles in the presence of the designated substrate (80 μM) for 10 min at room temperature. Fluorescence intensity was measured with 380 nm excitation and 460 nm emission using the Cytation 5 Cell Imaging Multi-Mode Reader (BioTek, Winooski, VT). IC50 and Ki values were obtained using a sigmoidal dose-response function. Cheng and Prusoff, 1973.
12488	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNRI or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 ml for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments.
12489	1	ENPP1 Inhibitory Activity Assay	Preparation of 1×reaction solution: 50 mM Tris-HCl (pH 7.5), 10 mM NaCl, 0.5 mM CaCl2), 1 μM ZnCl2, 0.01% Tween-20, 0.01% BSA.Preparation of compound concentration gradient: the tested compound was dissolved in DMSO (dimethyl sulfoxide) to an initial concentration of 10 μM, diluted at 3 times, with 10 concentrations, single well or multi-well testing was set. The initial concentration in the positive control compound STF-32 test was 1 μM, diluted at 3 times, with 10 concentrations, and multi-well testing was set for each concentration. The compound was diluted by gradient in a 384 well plate to a solution with the final concentration of 1000 times (1000, 333.33, 111.11, 37.04, 12.35, 4.12, 1.37, 0.46, 0.15 nM), and then 5 nL of the solution was transferred to a 384 well reaction plate for testing using Echo550. 5 nL of 100% DMSO was transferred from the smallest well (with only substrate, no enzyme, minimum signal value) and the largest well (with substrate, with enzyme, no inhibitor, maximum signal value).20 nM of 2×hENPP1-ECD-His protein solution was prepared using 1×reaction solution.M of 2×2′3′-cGAMP substrate solution was prepared using 1×reaction solution.2.5 μL of 2×protein solution was added to each compound well and the maximum pore of the reaction plate, and 2.5 μL of 1×reaction solution was added to the smallest well.The reaction solution was centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 15 minutes.2.5 μL 2×2′3′-cGAMP substrate solution was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 60 minutes.5 μL of R1 solution (from AMP-Glo™ Kit) was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 120 minutes.10 μL of R2 solution (from AMP-Glo™ Kit) was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 30 minutes.A multifunctional enzyme-linked immunosorbent assay reader (2104EnVision) was used to detect and the test results were recorded.
12490	1	Radiometric Protein Kinase Assay	A radiometric protein kinase assay (33PanQinase® Activity Assay) was used for measuring the kinase activity of the two protein kinases (CDK12/CDK7). All kinase assays were performed in 96-well FlashPlates™ from PerkinElmer (Boston, MA, USA) in a 50 μL reaction volume.The reaction cocktail was pipetted in four steps in the following order:20 μL of assay buffer (standard buffer)5 μL of ATP solution (in H2O)5 μL of test compound (in 10% DMSO)10 μL of substrate/10 μL of enzyme solution (premixed)[2102]For the CDK7 assay, a reaction mixture (50 μL) containing the following components was prepared:70 mM HEPES-NaOH (pH 7.5);sodium orthovanadate (3 μM);PEG-20000 (50 μg/mL);DTT (1.2 mM);MgCl2 (3 mM);MnCl2 (3 mM);purified human CDK7/CycH/MAT1 (3.3 nM—Lot 02);RBER-CHKtide substrate (40 μg/mL—Lot 106);ATP (3 μM);[γ-33P]-ATP (approx. 8×105 cpm per well); andtest compound at the appropriate concentration such that the final concentration of DMSO was 10% w/w.[2114]For the CDK7 assay, a reaction mixture (50 μL) containing the following components was prepared:70 mM HEPES-NaOH (pH 7.5);sodium orthovanadate (3 μM);PEG-20000 (50 μg/mL);DTT (1.2 mM);MgCl2 (3 mM);MnCl2 (3 mM);purified human CDK12 wt/CycK (14.7 nM—Lot 02);RBER-IRStide substrate (40 μg/mL—Lot 036);ATP (0.3 μM);[γ-33P]-ATP (approx. 8×105 cpm per well); andtest compound at the appropriate concentration such that the final concentration of DMSO was 10% w/w.The reaction mixture was incubated at 30° C. for 60 min and then stopped by the addition of 2% (v/v) H3PO4. Plates were aspirated and washed two times with 200 μL 0.9% (w/v) NaCl. Incorporation of 33Pi was determined with a microplate scintillation count (Microbeta, Wallac).The residual activities for each concentration and the compound IC50 values were calculated using Quattro Workflow V3.1.1 (Quattro Research GmbH, Munich, Germany).
12491	1	Affinity of Compounds for Dopamine D2 Receptors	The affinity of the compounds of the present disclosure for the dopamine D2 receptors was determined by the method of radioligand competition experiment. In the first step, a cell membrane component containing specific dopamine D2 receptors was prepared. A 10 cm culture dish was used for transfection with 10 ng of the dopamine D2 receptors and 40 μL of polyethylenimine (PEI hereafter). After 48 hours, the 10 cm culture dish was taken out from the cell culture incubator and the cultured cells had expressed the dopamine D2 receptors. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each culture dish, and the cells were placed in a 4° C. cold room for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally aliquoted into several EP tubes, centrifuged at 12000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The precipitate was the cell membrane component containing the dopamine D2 receptors. In the second step, a ligand-receptor binding experiment was performed on 293T membrane component transiently expressing the dopamine D2 receptors. First, a standard binding buffer was added to the cell membrane component containing the dopamine D2 receptors, and the cell membrane was disrupted and resuspended with an electric tissue homogenizer. 30 μL of membrane protein suspension was added to each well of a 96-well plate.
12491	2	Affinity of Compounds for 5-HT2A Receptors	The affinity of the compounds of the present disclosure for the 5-HT2A receptors was determined by the method of radioligand competition experiment. In the first step, a cell membrane component containing specific 5-HT2A receptor was prepared. A 10 cm dish was used for transfection with 10 ng of the 5-HT2A receptor and 40 μL of PEI. After 48 hours, the 10 cm dish was taken out from the cell incubator and the cultured cells had expressed the 5-HT2A receptor. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each culture dish, and the cells were placed in a 4° C. cold room for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally aliquoted into several EP tubes, centrifuged at 12000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The precipitate was the cell membrane component containing the 5-HT2A receptor. In the second step, a ligand-receptor binding experiment was performed on 293T membrane component transiently expressing the 5-HT2A receptor. First, a standard binding buffer was added to the cell membrane component containing the 5-HT2A receptor, and the cell membrane was disrupted and resuspended with an electric tissue homogenizer. 30 μL of membrane protein suspension was added to each well of a 96-well plate. Then, 30 μL of different drugs were added to the 96-well plate sequentially from bottom to top to ensure that the final drug concentrations were 10−5 M, 10−6 M, 10−7 M, 10−8 M, 10−9 M, and 0 M, with two replicates per treatment.
12493	1	KRAS (GDP) Biochemical Assays	Compounds were tested for binding to GDP-loaded wild-type KRAS (WT), KRAS-G12C, KRAS-G12D, and KRAS-G12V in a 384-well assay format using a TR-FRET probe displacement assay in buffer consisting of 50 mM Hepes (pH 7.4), 150 mM NaCl, 5 mM MgCl2 and 0.005% Tween-20.0.03 nM KRAS was used in this assay with 0.02 nM Eu-streptavidin and 12 nM Cy-5 labelled probe. Compounds were serially diluted (1:3) in DMSO. The LabCyte ECHO Acoustic dispenser was used to pre-spot the assay plates (384-well Non-Binding Surface plates, Corning, Catalog #3824) with 50 nL of compound. 5 μL of 2× enzyme concentration was added to the pre-spotted plates and incubated for 30 minutes before adding 5 μL of 2× concentration of Eu-streptavidin and Cy-5 labelled probe (10 μL final reaction volume). The plates were incubated at room temperature for 2 hours before measuring TR-FRET ratio (665 nm/615 nm) on the Envision multimode plate reader. The ratios were normalized to a positive (saturating concentration of known inhibitor) and negative (DMSO) control and plotted against the log of compound concentration. IC50 values were defined as the compound concentration that causes a 50% decrease in normalized signal and were calculated using a sigmoidal dose-response model to generate curve fits.
12494	1	TR-FRET Assay	1) KRAS nucleotide exchange buffer20 mL of 1000 mM HEPES, 20 mL of 500 mM EDTA, 10 mL of 5 M sodium chloride, 0.1 mL of 100% Tween 20, and 949.9 mL of water were weighed and formulated to 1 L of solution. The solution was sterilized by filtration and stored at 4° C.2) KRAS assay buffer20 mL of 1000 mM HEPES, 10 mL of 1000 mM magnesium chloride, 30 mL of 5 M sodium chloride, 0.05 mL of 100% Tween 20, and 939.95 mL of water were weighed and formulated to 1 L of solution. The solution was sterilized by filtration and stored at 4° C.3) KRAS/Bodipy GDP/Tb-SA mixture9.5 μL of 95 μM KRASG12D protein and 440.5 μL of KRAS nucleotide exchange buffer were weighed and mixed. The mixture was incubated at room temperature for 1 hour and formulated to 1 L of solution together with 8.4 μL of 17.9 μM Tb-SA, 1.8 μL of 5 mMBodipy GDP and 9539.8 μL of KRAS assay buffer. After mixing, the solution was left to stand at room temperature for 6 hours, and stored at −80° C.b. Assay reagents:1) KRAS enzyme solution73.3 μL of KRAS/Bodipy GDP/Tb-SA mixture and 2126.7 μL of KRAS assay buffer were weighed and formulated to 2200 μL of solution.2) SOS/GTP mixture1.59 μL of 166 μM SOS protein, 198 μL of 100 mM GTP and 2000.41 μL of KRAS assay buffer were weighed and formulated to 2200 μL of solution.4. Assay process1) The concentration of a stock solution of the control compound was 1 mM, and the concentration of a stock solution of compounds to be assayed was 10 mM. 9 μL of the control compound and compounds to be assayed were transfered to a 384-LDV plate;2) The compounds on the LDV plate were serially diluted 3-fold with Bravo to 10 concentrations;3) 9 nL of the compounds on the LDV plate were transfered to an assay plate using ECHO;4) 3 μL of 3 nM Kras/0.5 nM TB-SA/30 nM BodipyGDP mixture and 3 μL of Ras buffer were sequentially added to each well of the assay plate using a Dragonfly autosampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;5) The assay plate was incubated at room temperature for 1 hour;6) 3 μL of 120 nM SOS/9 mM GTP mixture was added to each well of the assay plate using a Dragonfly autosampler, and the assay plate was centrifuged at 1000 rpm/min for 1 minute;7) The assay plate was incubated at room temperature for 1 hour;8) The plate was read with Envision and data were recorded;9) The data were analyzed using Excel and Xlfit, and ICso of the compounds to be assayed were calculated.
12495	1	PHD2 Inhibitory Assay	An enzyme (human PHD2 184-418) and the substrate were diluted with an assay buffer (pH 7.4) containing 10 mM HEPES, 150 mM NaCl, 10 μM MnCl2-4H2O, 2 μM 2-oxoglutarate and 0.05% Tween-20. Test compounds were diluted with DMSO. Test compounds and human PHD2184-418 was added to the 384-well plate (Corning, black, opaque bottom) in advance. The reaction was started by the addition of FITC-labeled HIF-1α556-574. After incubating at 37° C. for 60 minutes, fluorescence polarization (excitation wavelength: 470 nm, fluorescence wavelength: 530 nm) was measured by PHERAstar FSX (BMG Labtech). Fluorescence polarization of each well was measured, and human PHD2 binding inhibitory activity of test compounds was calculated based on the value of test compound-free group.
12496	1	In Vitro Evaluation in ACC1/ACC2 Enzymatic Assay	Table 3: Human ACC1 (Cat #50202 Lot #120830) and ACC2 (Cat #50201 Lot #160217) were obtained from BPS Biosciences, San Diego, CA 92121. Human ACC1 had C-terminal flag and His-tags with a MW of 270 KDa after purification from Baculovirus infected Sf9 cell expression system and came as a solution in 50 mM Tris-HCl, pH 8.0, 500 mM NaCl, 10% glycerol, 1 mM DTT, 100 μg/ml FLAG peptide with 70% purity. The stock concentration was 0.25 mg/ml corresponding to 0.926 μM. Human ACC2 was also purified from Baculovirus infected Sf9 expression system. It had a MW of 277 KDa with C-terminal flag and His-tags and came as a solution in 40 mM Tris pH 8.0, 110 mM NaCl, 2.2 mM KCl, 0.04% Tween-20, 20% glycerol, and 3 mM DTT with 56% purity. The stock concentration was 0.1 mg/ml corresponding to 0.36 μM. The assay buffer for measuring the activity of ACC contained: 30 mM HEPES (pH 7.4), 2 mM MgCl2, 0.01% Brij35, 2 mM DTT, 1% DMSO (solvent for compound). For ACC1 and ACC2 assays, the following concentrations of substrate and cofactors were used: 12 mM NaHCO3, 10 μM acetyl CoA, 10 μM ATP, and 2 mM K-citrate. The recombinant human enzyme was used at 5 nM for ACC1 and 1 nM for ACC2. In brief, enzyme alone in the above buffer without substrate was used for background. All test materials were dissolved in 100% DMSO using acoustic technology (Echo550). The prepared solution was preincubated for 15 min followed by the addition of 5 μL/well of ADP standard. ATP was then added to start the reaction. 
12496	2	In Vitro Evaluation in ATP-Citrate Lyase (ACLY) Enzymatic Assay	Table 4: ATP citrate lyase was obtained from Sino Biological Inc. Cat #11769-H07B, Lot #LC08DE1701. It was prepared from a DNA sequence encoding the human ACLY (P53396) (Met 1-Met 1101) expressed in Baculovirus-Insect Cells, with a polyhistidine tag at the N-terminus. The recombinant human ACLY consists of 1120 amino acids and has a calculated molecular mass of 123 kDa. It migrates as an approximately 110 kDa band in SDS-PAGE under reducing conditions. The enzyme came as a lyophilized powder in sterile 20 mM Tris, 500 mM NaCl, pH 8.0, 10% glycine. Normally 5%-8% trehalose and mannitol are added as protectants before lyophilization. The recombinant human ACLY from Sino Biological was formulated in 45 mM Tris-HCl, pH 8.0, 124 mM NaCl, 2.4 mM KCl, 18 mM glutathione, 10% glycerol, and 3 mM DTT.To detect ADP produced from ACL assay, the ADP-Glo™ assay format from Promega, Madison, WI, was used, to detect the conversion of ATP to ADP. In the ADP-Glo™ (Promega, Cat #V9101) method, as shown in FIG. 1 , the protocol provided by the manufacturer was followed. This assay is performed in two steps: i) after the ACL-mediated enzymatic reaction that utilizes ATP and produces ADP, ADP-Glo™ Reagent is added to terminate the kinase reaction and deplete the remaining ATP, and ii) the Kinase Detection Reagent is added to convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. The light generated, measured in a luminometer, correlates to the amount of ADP generated in the ACL assay, which is indicative of ACL activity.
12497	1	SERT Inhibition Assay	SERT inhibition was measured using a Neruotransmitter Transportation Fluorescence assay. Briefly, stable 5HTT HEK293 cells were prepared in a 384 microwell plate (20,000 cells per 20 μL well). Compounds were prepared by in assay buffer (20 mM HEPES in HBSS, 0.1% BSA) at a top concentration of 1 μM. 10 doses of test compound (3-fold serial dilution) were added to the plated cells and incubated for 30 minutes at 37° C. 25 μL of dye solution (Molecular Devices Neurotransmitter Transporter Uptake Assay Kit) was added per well and incubated for 30 minutes at 37° C. 
12497	2	PDE4 Inhibition Assay	Step 1:1) Dilute 20 μM FAM-Cyclic-3′, 5′-AMP stock 100-fold with PDE buffer to make a 200 nM solution.2) Add 25 μl of FAM-Cyclic-3′,5′-AMP (200 nM) to each well designated “Positive Control”, “Test Inhibitor”, and “Substrate Control”.3) Add 20 μl of PDE assay buffer to each well designated “Substrate Control” and 45 μl of PDE assay buffer to each well designated “Blank”.4) Add 5 μl of inhibitor solution to each well designated “Test Inhibitor”. For the wells labeled “Positive Control”, “Substrate Control” and “Blank”, add 5 μl of the same solution without inhibitor (inhibitor buffer).5) Thaw PDE on ice. Upon first thaw, briefly spin tube containing enzyme to recover the full contents of the tube.6) Dilute PDE4 in PDE buffer to 7.5 pg/μl (0.15 ng/reaction)*. Initiate reaction by adding 20 l of PDE4 (7.5 pg/μl) to the wells designated “Positive Control” and “Test Inhibitor.”7) Incubate at room temperature for 1 hour.Step 2:1) Mix binding agent thoroughly and dilute binding agent 1:100 with binding agent diluent.2) Add 100 μl diluted binding agent to each microwell. Incubate at room temperature for 1 hour with slow shaking.3) Read the fluorescent polarization of the sample in a microtiter-plate reader equipped for the measurement of fluorescence polarization, capable of excitation at wavelengths ranging from 485±5 nm and detection of emitted light ranging from 528±10 nm. Blank value is subtracted from all other values.4) Data Analysis: PDE activity assays were performed in duplicate at each concentration. Fluorescence intensity is converted to fluorescence polarization using the Tecan Magellan6 software. 
12498	1	Binding Affinity Assay	SPA: Determination of equilibrium dissociation constant Kd of radioligand: Membrane prepared as described above was pre-incubated with PVT-WGA SPA beads (Perkinelmer Cat #RPNQ0003) at a ratio of 0.3 mg beads with 5 μg membrane per 25 μL binding buffer at 20° C. for 2 hours with gental shaking. This binding solution was centrifuged at 400 g for 5 minutes to collect the bead/membrane mixture. After re-suspending the pellet in binding buffer at the same calculated volume with 0.01% BSA (Sigma A1933), the bead/membrane mixture was added in 384-well low-binding surface plate (PerkinElmer Cat #6057480) at 25 μl/well. Radioligand at different concentrations with and without the non-radio-labeled same ligand 5 uM (for nonspecific and total signal, respectively) was added to bring final volume to 50 l/well with DMSO concentration at 0.1%. At equilibrium (3 hours after ligand addition), radiometric signal CPM was counted by using a Microbeta2 microplate counter (Perkinelmer). The Kd was determined by nonlinear regression fitting of specific signal plot against the concentration of radioligand [3H]-Ifenprodil.
12498	2	Radioligand Binding Assay	DHCR7: The radioligand binding assay was prepared by adding assay buffer diluted hEBP-DHCR7 membrane at 66.7 μg/ml×150 μl/well into the 96-well compound plate to reach 10 μg membrane per well. Then, the assay buffer diluted [3H]—(S)-6-(2-Methyl-3-(6-(trifluoromethyl)pyridin-3-yl)propyl)-2-thia-6-azaspiro[3.4] octane 2,2-dioxide was added at 25 nM×50 μl/well. Following this, the plate was centrifuged at 1000 rpm for 30 secs. The plate was then sealed and agitated at 600 rpm at 22° C. for 5 min, and then incubated at 22° C. for 3 hrs. The incubation was stopped by transferring the binding solution to the pre-treated UniFilter-96 GF/B plate, vacuum filtrated, and then washed four times with ice-cold assay buffer. Following this, the plates were dried at 37° C. for 45 min. The plates were then sealed at the bottom. 40 μl/well of scintillation cocktail was added to the plates. A MicroBeta2 microplate counter was then used to read the plate and analyze the data. For reference and test compounds, the results are expressed as % Inhibition, using the normalization equation: N=100−100×(U−C2)/(C1−C2), where U is the unknown value, C1 is the average of high controls, and C2 is the average value of low controls.
12499	1	Homogenous Time Resolved Fluorescence Assay	The hydrolase-homogeneous time resolved fluorescence assay is a two-step assay that measures the hydrolysis of LTA4 to LTB4 by analyzing the amount of LTB4 produced. The first step involves the enzymatic conversion of LTA4 to LTB4 and the second step involves the quantification of the LTB4 formed with a homogeneous time resolved fluorescence assay.
12500	1	Hot Spot HMT Assay	Briefly, compounds of the present disclosure were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 μM. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. SAH (S-(5-adenosyl)-L-homocysteine) was used as a positive control for assay validation.An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8.)), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 μl volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 μM S-Adenosyl-L-[methyl-3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter.
12501	1	Lipoxygenase-15 Assay	Briefly, reactions were carried out in Corning 96 half-well black, flat bottom assay plates and contained final concentrations of 50 μM arachidonic acid (Cayman Chemical) as a substrate, 1:10 (v:v) cholate mix (2% (w:v) sodium cholate (Sigma-Aldrich) and 2% (v:v) DMSO with or without test compounds), 40 μM dihydrorhodamine 123 (Sigma-Aldrich) and 1:200 lipoxygenase-15 enzyme (soybean enzyme from Lipoxygenase Inhibitor Screening Assay Kit Item No. 760700 (Cayman Chemical)) in 100 mM Tris-HCl, pH 7.5. Cholate mix contained 2% (w:v) sodium cholate dissolved in 2% (v:v) DMSO. Cholate mix is used for the positive control wells (100% enzymatic activity). Due to the fact, that test compound stocks were dissolved in 100% DMSO, cholate mix was adjusted (sodium cholate was dissolved in water) and test compound DMSO stocks were further diluted with this solution in order to keep the final DMSO concentration in reaction below 0.2% and equal in all wells. Assay buffers and DMSO were deoxygenated to keep test compounds in the reduced state **. Stock solutions of test compounds were prepared in DMSO and then diluted to final assay concentrations in cholate mix such that final cholate and DMSO concentrations were maintained at 0.2%. Reactions were initiated by the addition of 50 μL of enzyme mix (80 μM dihydrorhodamine 123 and 1:100 lipoxygenase-15 enzyme in 100 mM Tris-HCl, pH 7.5) to wells containing 50 μL substrate and cholate mix in 100 mM Tris-HCl, pH 7.5 and linear rates were assessed by measuring fluorescence, using excitation/emission of 485/535 nm on a Hidex Sense microplate reader every 10 seconds for 5 minutes at room temperature. F
12502	1	Nociceptin (hNOP) Receptor Binding Assay	The human nociceptin (hNOP) receptor binding assay was performed as an filtration-based radio agonist binding assay. Cell membrane homogenates of transfected Chem-1 cells (5 μg) were incubated for 60 min at 22° C. with 0.1 nM [3H]nociceptin in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2 and 0.1% BSA in a final volume of 200 μl in a 96 well plate. Nonspecific binding was determined in the presence of 1 μM nociceptin.Test compound was added at a 100× concentrated solution in solvent and final assay DMSO concentration was 1% maximum which also served as respective vehicle control. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard, presoaked with 0.3% PEI) and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).
12502	2	κ-opioid (hKOP) Receptor Assay	The human κ-opioid (hKOP) receptor assay was performed as an filtration-based radio agonist binding assay. Cell membranes of transfected CHO cells (15 μg) were incubated for 60 min at 25° C. with 0.9 nM [3H]U-69593 in the absence or presence of the test compound in a buffer containing Tris 50 mM, MgCl2 5 mM, Saponine 10 μg/ml in a final volume of 100 μl in a 96 well plate. Nonspecific binding was determined in the presence of 10 μM U-50488.Following incubation, the samples were filtered rapidly over filter plates (GF/C). Filters were washed six times with 0.5 ml of ice-cold washing buffer and 50 μl of Microscint 20 (Packard) was added in each well. The plates were incubated 15 min on an orbital shaker and then counted with a TopCount™ for 30 sec/well.
12502	3	Mu-opioid (hMOP) Receptor Binding Assay	The human μ-opioid (hMOP) receptor binding assay was performed as an filtration-based radio agonist binding assay. Cell membranes of transfected CHO cells (10 μg) were incubated for 60 min at 25° C. with 0.7 nM [3H]DAMGO in the absence or presence of the test compound in a buffer containing Tris 50 mM, MgCl2 5 mM, Saponine 10 μg/ml in a final volume of 100 μl in a 96 well plate. Nonspecific binding was determined in the presence of 10 μM DAMGO.Following incubation, the samples were filtered rapidly over filter plates (GF/C). Filters were washed six times with 0.5 ml of ice-cold washing buffer and 50 μl of Microscint 20 (Packard) was added in each well. The plates were incubated 15 min on an orbital shaker and then counted with a TopCount™ for 30 sec/well.The results are expressed as a percent inhibition of the control radioligand specific binding. Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]DAMGO-specific receptor binding are calculated by nonlinear regression analysis and Ki values are calculated by using the Cheng-Prusoff equation.
12502	4	Delta-opioid (hDOP) Receptor Binding Assay	The human δ2-opioid (hDOP) receptor binding assay was performed as an filtration-based radio agonist binding assay. Cell membrane homogenates of transfected Chem-1 cells (1 μg) were incubated for 60 min at 22° C. with 0.5 nM [3H]DADLE in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4) and 5 mM MgCl2 in a final volume of 200 μl in a 96 well plate. Nonspecific binding was determined in the presence of 10 μM naltrexone.Test compound was added at a 100× concentrated solution in solvent and final assay DMSO concentration was 1% maximum which also served as respective vehicle control.Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard, presoaked with 0.3% PEI) and rinsed several times with ice-cold 50 mM Tris-HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard).The results are expressed as a percent inhibition of the control radioligand specific binding. Half-maximal inhibitory concentration (IC50) values reflecting 50% displacement of [3H]DADLE-specific receptor binding are calculated by nonlinear regression analysis and Ki values are calculated by using the Cheng-Prusoff equation.
12503	1	Inhibition of KAT6A Enzyme Activity Assay	1× experimental buffer (modified Tris buffer) was prepared, and the compounds were dissolved with 100% DMSO to form 10 mM reservoir solution and diluted according to a certain concentration gradient. The compounds were transferred to a 384-well plate using an automatic sampler Echo, and the final concentration of DMSO was 1%. 1× KAT6A enzyme (catalytic domain) solution was prepared. A mixed solution of [3H]-acetyl-CoA (PERKIN ELMER, Cat. No. NET290250UC) and the substrate peptide H3 (1-21) was prepared. 10 μL of the enzyme solution was transferred to the 384-well plate and incubated at room temperature for 15 minutes. 10 μL of the mixed solution of [3H]-acetyl-CoA and the substrate peptide H3 (1-21) were added to the plate to initiate the reaction. The plate was incubated at room temperature for 1 hour. 10 μL of the stop solution was added to terminate the reaction. 25 μL of the reaction solution was transferred to a Flashplate (Perkin Elmer, Cat. No. SMP410A001PK) and incubated at room temperature for 1 hour. The plate was read using Microbeta. The inhibition rate of the compounds was calculated using the formula of Excel: inhibition %=(Max-Signal)/(Max−Min)*100%. Where max is the value of the DMSO control, min is the value of the non-enzymatic control, and signal is the value of the well where the compound was tested.
12504	1	Determination of Binding Affinity to EBP-7-Dehydrocholesterol Reductase	Compounds were prepared in a 96-well U bottom plate using an Echo550 machine and 10 mM compound DMSO stock solution, followed by an 8-dose 5-fold serial dilutions protocol with final testing compound concentration ranging from 0.06 to 5000 nM, with DMSO back fill to 100 nL/well and n=2. DMSO and Ifenprodil 5 uM wells were added in each plate as 0 and 100% inhibition reference controls with n=8 for each condition. The UniFilter-96 GF/B plates were pre-treated by adding 50 μl/well of 0.3% (v/v) PEI to UniFilter-96 GF/B plates. The plates were sealed and incubated at 4° C. for 3 hrs. Then, the plates were washed with ice-cold assay buffer 3 times. The radioligand binding assay was prepared by adding assay buffer diluted hEBP-DHCR7 membrane at 66.7 μg/ml x 150 μl/well into the 96-well compound plate to reach 10 μg membrane per well. Then, the assay buffer diluted [3H]-Compound 118A* was added at 25 nM×50 μl/well. Following this, the plate was centrifuged at 1000 rpm for 30 secs. The plate was then sealed and agitated at 600 rpm at 22° C. for 5 min, and then incubated at 22° C. for 3 hrs. The incubation was stopped by transferring the binding solution to the pre-treated UniFilter-96 GF/B plate, vacuum filtrated, and then washed four times with ice-cold assay buffer. Following this, the plates were dried at 37° C. for 45 min. The plates were then sealed at the bottom. 40 μl/well of scintillation cocktail was added to the plates. A MicroBeta2 microplate counter was then used to read the plate and analyze the data. For reference and test compounds, the results are expressed as % Inhibition, using the normalization equation: N=100-100×(U−C2)/(C1−C2), where U is the unknown value, C1 is the average of high controls, and C2 is the average value of low controls. The IC50 was determined by fitting percentage of inhibition as a function of compound concentrations with Hill equation using XLfit.
12504	2	Determination of Binding Affinity to EBP	Determination of equilibrium dissociation constant Kd of radioligand: Membrane prepared as described above was pre-incubated with PVT-WGA SPA beads (Perkinelmer Cat #RPNQ0003) at a ratio of 0.3 mg beads with 5 μg membrane per 25 μL binding buffer at 20° C. for 2 hours with gentle shaking. This binding solution was centrifuged at 400 g for 5 minutes to collect the bead/membrane mixture. After re-suspending the pellet in binding buffer at the same calculated volume with 0.01% BSA (Sigma A1933), the bead/membrane mixture was added in 384-well low-binding surface plate (PerkinElmer Cat #6057480) at 25 i/well. Radioligand at different concentrations with and without the non-radio-labeled same ligand 5 uM (for nonspecific and total signal, respectively) was added to bring final volume to 50 i/well with DMSO concentration at 0.1%. At equilibrium (3 hours after ligand addition), radiometric signal CPM was counted by using a Microbeta2 microplate counter (Perkinelmer).
12505	1	Inhibitory Activity Assay	Capillary electrophoresis was used to detect the phosphorylation conversion rate of the substrate peptide to determine the IC50 value of the test compound for inhibiting the kinase (ABL1-WT). The maximum concentration of the compound tested in the test was 1000 nM, with 3-fold dilution, and a total of 12 concentrations (1000-0.0056 nM). First, an enzyme reaction system (the concentration of enzyme ABL1-WT was 1.3 nM, the concentration of substrate FLPeptide2 was 1.5 μM, and the reaction factor was 10 mM MgCl2) was prepared. After incubation at room temperature for 30 min, 5 L of 4×ATP solution was added to start the enzyme reaction. After reacting at room temperature for 90 min, the reaction was stopped by adding a stop buffer (containing 0.5 M EDTA). The sample was analyzed using an EZ reader (analysis conditions: pressure −1.5 PSI, upper voltage current −2250V, lower voltage current −500V, separation time 40 sec, and system delay 100.0 sec).
12506	1	PARP1 Enzyme Activity Assay	Table 1: PARP1 chemical fluorescence detection kit was purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation, the plate was washed three times with PBST (0.05% Tween-20). 100 μL of the blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation, the plate was washed three times with PBST. 2.5 μL of compounds at different concentrations diluted in test buffer and 12.5 μL of substrate mixed solution (1.25 μL 10×PARP test buffer; 1.25 μL 10×PARP test mixed solution; 2.5 μL Activated DNA, 7.5 μL double-distilled water) were added to the microwell plate. The PARP1 enzyme was diluted to 2 ng/μL, 10 μL of the diluent was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes.After the incubation, the plate was washed three times with PBST. Streptavidin-HRP was diluted 50× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were mixed at a ratio of 1:1 (v/v), 50 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read.
12506	2	Enzyme Activity Assay	Table 2: PARP2, PARP5A, PARP5B, PARP6, PARP7, PARP14 and PARP15 chemical fluorescence detection kits were purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation, the plate was washed three times with PBST (0.05% Tween-20). 100 μL of the blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation, the plate was washed three times with PBST. 2.5 μL of compound 4 diluted in test buffer and 5 μL of substrate mixed solution were added to the microwell plate. 5 μL of the diluted PARP enzyme was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes.After the incubation, the plate was washed three times with PBST. Streptavidin-HRP was diluted 50× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were mixed at a ratio of 1:1 (v/v), 25 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read.The inhibition rate was calculated according to formula [(1−(RLUsample-RLUmin)/(RLUmax−RLUmin))×100%], where RLUsample was the readout of the compound well, RLUmax was the readout of the solvent control well, and RLUmin was the readout of the control well without the PARP1 enzyme.
12507	1	LC-MS/MS Based In Vitro Assay	Stock solutions of DHEA (5 mM in DMSO) and compound of interest (5 mM in DMSO) were prepared. For each 60 μL reaction, to a 1.5 mL Eppendorf tube was added 1.2 μL of 5 mM DHEA, 1.2 μL 5 mM compound of interest (for 100 μM final compound concentration) or DMSO, 0.9 μL 6.6 mM PAPS, and 26.7 μL 1× assay buffer. SULT2B1b was diluted to 1.5 μg/μL in protein storage buffer then down to 0.8 μg/μL in 1× activity assay buffer. 30 μL of 0.8 μg/μL SULT2B1b was added to each reaction. Reactions were incubated for 2 hours at 37° C. with shaking at 250 rpm. To quench, 30 μL reaction mix was added to 30 μL ice cold 0.5% HCl in MeCN, then centrifuged at 13,000 xg at room temperature for 3 min. 50 μL supernatant was transferred to an empty Eppendorf tube and submitted for LC-MS/MS quantification (UIUC Metabolomics Center), along with 5 mM DHEA sulfate standard. Controls: Reaction mix made with DHEA and DMSO in place of compound of interest (DHEA control).
12508	1	Kinetic Assay	Table 1: A kinetic assay to monitor FECH enzymatic activity was adapted from a published protocol (Burden et a., Biochim Biophys Acta 1435, 191-197 (1999)). Recombinant human FECH activity was established by monitoring the increase of Ni2+ mesoporphyrin IX reaction product at 550 nm over time (FIG. 1 ).20,000 compounds were analyzed in the initial screen (FIG. 2 ). Because each plate had both negative (uninhibited FECH activity) and positive (NMPP) controls, and there was considerable inter-plate variability, a hit was established as reduction >3 standard deviations from the average activity of the negative control (100% activity) for each plate. Using this metric, 664 (3.3%) of the compounds tested in the initial screen were designated hits. All these compounds were selected for secondary screening.Secondary screening with these hits was run so that the assay was set up identically to the initial screen. However, analysis for hits from this secondary screen differed from the initial screen. Hits were defined from the secondary screen by their percent inhibition of FECH activity (the average of the activity from negative controls from two plates used in the secondary screen) (FIG. 3 ). The 93 compounds (0.5%) that inhibited FECH activity by 50% or more in this secondary screen were subjected to further scrutiny. Two were removed after pan-assay interference compound assessment. Intriguingly, the 91 remaining ‘hit’ compounds from the secondary screen (0.5% of the initial screen) included 62 triazolopyrimidinones.
12508	2	Inhibition Assay	Table 2: Using the same screening methods as in the FECH activity assay, compounds 1, 2, 3, 4a˜4h, and 5a˜5w were tested for FECH inhibition (Table 2).
12509	1	Cap-Dependent Endonuclease (CEN) Inhibitory Activity Assay	2.5 μL of enzymatic reaction mixture (composition: 53 mM Tris hydrochloride (pH 7.8), 1 mM MgCl2, 1.25 mM dithiothreitol, 80 mM NaCl, 12.5% glycerol, 0.15 μL enzyme solution) was dispensed in a 384-well plate made of polypropylene. Then, 0.5 μL of DMSO was added to 0.5 μL of the test compound solution serially diluted with DMSO, the positive control (PC) and the negative control (NC), and mixed thoroughly. Then 2 μL of substrate solution (1.4 nM substrate RNA, 0.05% Tween20) was added, and the reaction was initiated. The reaction mixture was incubated at room temperature for 60 minutes, and then 1 μL of the reaction mixture was added to 10 μL of high-purity formamide solution (containing GeneScan120LizSize Standard as sizing marker, manufactured by Applied Biosystem(ABI)) to terminate the reaction. The reaction of NC was stopped in advance by adding EDTA (4.5 mM) before the start of the reaction (all labeled concentrations were the final concentrations).
12509	2	CPE Suppression Effect Confirmation Test	MDCK cells were seeded in a 96-well cell culture plate, and cultured till cell attachment for later use. The drug was serially 3 times diluted from 2 times the highest test concentration to 8 gradients. The drug was added to the cells and cultured in a CO2 incubator at 37° C. After 48 hours of dosing and incubation, the cytopathic effect (CPE) caused by the drug was observed under a microscope. Then alamarBlue® medium was added to detect the survival rate of the cells. The toxicity of the drug to cells is inversely proportional to the activity of the cells and is expressed as the activity of the cells.
12510	1	Human Cytochrome P450 Inhibition Assay	CYP450 enzymes (final protein 75 pmol/mL for CYP1A2; 12.5 pmol/mL for CYP2C19; and 25 pmol/mL for CYP2C9, 2D6 and 3A4), 0.1 M phosphate buffer pH 7.4, probe and test compound (final concentration 50, 15.8, 5, 1.58, 0.5 and 0.158 μM; diluted from 10 mM stock solution to give a final DMSO concentration of 1%) were pre-incubated at 37° C. for 5 minutes. The reaction was initiated by the addition of 20 μL of 10 mM NADPH in phosphate buffer. The final incubation volume was 200 μL. The following control inhibitors were used for each CYP450 inhibition assay: CYP1A2: α-naphthoflavone; CYP2C9: sulfaphenazole; CYP2C19: tranylcypromine; CYP2D6: quinidine; CYP3A4: ketoconazole.Each compound was incubated for 10 minutes at 37° C. The reactions were stopped by the addition of methanol (final composition 1:1, aqueous: methanol). The incubation plates were shaken, chilled at 20° C. for 2 hours, and centrifuged at 3500 rpm for 15 minutes at 4° C. to precipitate the protein. 
12511	1	hDHODH Inhibition Assay	Inhibitory activity was assessed by monitoring the reduction of 2,6-dichloroindophenol (DCIP), which is associated with the oxidation of dihydroorotate as catalyzed by the DHODH enzyme. The enzyme was preincubated for five minutes at 37° C. in Tris-buffer solution (pH 8.0), with coenzyme Q10 (100 μM), with the compounds to be tested used at different concentrations (final DMSO concentration 0.1% v/v), with DCIP (50 μM). The reaction was initiated by the addition of DHO (500 μM), and the reduction was monitored at λ=650 nm. The initial rate was measured in the first five minutes (ε=10400 M−1 cm−1), and an IC50 value was calculated,31 using GraphPad Prism 7 software. Values are means±SE of three independent experiments.
12512	1	Inhibitory Effect of the Compound According to the Present Invention on BRD	The compounds were screened in vitro, and each compound was serially diluted to 10 concentrations. Four proteins BRD4 (D1+D2), BRDT (D1), BRD2 (D1+D2) and BRD3 (D1+D2) were chosen to determine the IC50 values of compounds (see Table 1).3. Experimental Materials:BRD2(1,2)(BPS, Cat. No. 31024)BRD3(1,2)(BPS, Cat. No. 31035)BRDT(D1)(Active Motif, Cat. No. 31450)BRD4(1,2)(BPS, Cat. No. 31044)(+)-JQ1(BPS, Cat. No. 27402)4. Compound treatment: The test compound was dissolved in dimethyl sulfoxide (DMSO), and the storage concentration was 10 mM.5. Steps for Homogeneous Time-Resolved Fluorescence Detection:1) According to the arrangement of the detection plate, all compounds were diluted in Echo plate.The final dilution concentration of DMSO is 0.1%.2) The compound or DMSO was transferred to a 384-well detection plate with the Echo automatic sampler.3) Two-fold concentration of the mixture of protein and peptide was added to the detection plate.4) Two-fold concentration of mixed detection solution was added to the test plate, and shaken for 30 s.5) Incubating for 2 h at room temperature.6) Fluorescence signal was read on Envision multi-function microplate reader (excitation light wavelength being 340 nm, and emission light wavelength being 615 nm and 665 nm).
12513	1	Inhibition Effect of the Compounds of the Present Invention on the Enzyme Activity of Midazolam Metabolite Site of CYP3A4	Table 2: I. Experimental Materials and Instruments1. Phosphate buffer solution (PBS) (Shanghai Basalmedia Technologies Co., Ltd., B320, similarly hereinafter);2. NADPH (Sigma N-1630);3. Human liver microsome (Corning Gentest);4. ABI QTrap 4000 liquid chromatograph/mass spectrometer (AB Sciex);5. Inertsil C8-3 column, 4.6×50 mm, 5 μm (Dikma Technologies Inc., USA); and6. CYP probe substrate (15 μM midazolam, SIGMA UC429) and positive control inhibitor (ketoconazole, SIGMA K1003).II. Experimental Procedures100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml human microsome solution and 5 mM NADPH solution. The 5× concentration of the compound working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). The 5× concentration of ketoconazole working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). Midazolam working solution was diluted with PBS to a concentration of 15 μM.20 μl of 2.5 mg/ml microsome solution, 20 μl of 15 μM midazolam working solution, 20 μl of MgCl2 solution and 20 μl of the compound working solution (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM, different reaction systems for each concentration) were mixed well. For the positive control group, the compound was replaced with the same concentration of ketoconazole. The mixture together with 5 mM NADPH solution was pre-incubated at 37° C. for 5 minutes. After 5 minutes, 20 μl of NADPH was added to each well, the reaction was initiated, and the plate was incubated for 30 minutes. All the incubated samples were present in duplicate. After 30 minutes, 250 μl of acetonitrile containing internal standard (100 ng/ml camptothecin) was added to all samples, mixed well, shaken at 800 rpm for 10 minutes, and then centrifuged at 3700 rpm for 10 minutes. 80 μl of the supernatant was taken and analyzed by LC-MS/MS.
12513	2	Inhibition Effect of the Compounds of the Present Invention on the Enzyme Activity of CYP2D6 in Human Liver Microsome	Table 3: I. Experimental Materials and Instruments1. Phosphate buffer solution (PBS);2. NADPH (Sigma N-1630);3. Human liver microsome (Corning Gentest);4. ABI QTrap 4000 liquid chromatograph/mass spectrometer (AB Sciex);5. Inertsil C8-3 column, 4.6×50 mm, 5 μm (Dikma Technologies Inc., USA); and6. CYP probe substrate (20 μM dextromethorphan, SIGMA Q0750) and positive control inhibitor (quinidine, SIGMA D9684).II. Experimental Procedures100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml human microsome solution and 5 mM NADPH solution. The 5× concentration of the compound working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). The 5× concentration of quinidine working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). Dextromethorphan working solution was diluted with PBS to a concentration of 20 μM.20 μl of 2.5 mg/ml microsome solution, 20 μl of 20 μM dextromethorphan working solution, 20 μl of MgCl2 solution and 20 μl of the compound working solution (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM, different reaction systems for each concentration) were mixed well. For the positive control group, the compound was replaced with the same concentration of quinidine. The mixture together with 5 mM NADPH solution was pre-incubated at 37° C. for 5 minutes. After 5 minutes, 20 μl of NADPH was added to each well, the reaction was initiated, and the plate was incubated for 30 minutes. All the incubated samples were present in duplicate. After 30 minutes, 250 μl of acetonitrile containing internal standard (100 ng/ml camptothecin) was added to all samples, mixed well, shaken at 800 rpm for 10 minutes, and then centrifuged at 3700 rpm for 10 minutes. 80 μl of the supernatant was taken and analyzed by LC-MS/MS.
12513	3	Inhibition Effect of the Compounds of the Present Invention on the Enzyme Activity of Testosterone Metabolite Site of CYP3A4 in Human Liver Microsomes	Table 4: I. Experimental Materials and Instruments1. Phosphate buffer solution (PBS);2. NADPH (Sigma N-1630);3. Human liver microsome (Corning Gentest);4. ABI QTrap 4000 liquid chromatograph/mass spectrometer (AB Sciex);5. Inertsil C8-3 column, 4.6×50 mm, 5 μm (Dikma Technologies Inc., USA); and6. CYP probe substrate (testosterone/100 μM, SIGMA K1003) and positive control inhibitor (ketoconazole, Dr. Ehrenstorfer GmbH, C17322500).II. Experimental Procedures100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml human microsome solution and 5 mM NADPH solution. The 5× concentration of the compound working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). The 5× concentration of ketoconazole working solution was diluted with PBS in gradients (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM). Dextromethorphan working solution was diluted with PBS to a concentration of 50 μM.20 μl of 2.5 mg/ml microsome solution, 20 μl of 50 μM testosterone working solution, 20 μl of MgCl2 solution and 20 μl of the compound working solution (150, 50, 15, 5, 1.5, 0.15, 0.015, 0 μM, different reaction systems for each concentration) were mixed well. For the positive control group, the compound was replaced with the same concentration of ketoconazole. The mixture together with 5 mM NADPH solution was pre-incubated at 37° C. for 5 minutes. After 5 minutes, 20 μl of NADPH was added to each well, the reaction was initiated, and the plate was incubated for 30 minutes. All the incubated samples were present in duplicate. After 30 minutes, 250 μl of acetonitrile containing internal standard (100 ng/ml camptothecin) was added to all samples, mixed well, shaken at 800 rpm for 10 minutes, and then centrifuged at 3700 rpm for 10 minutes. 80 μl of the supernatant was taken and analyzed by LC-MS/MS.
12514	1	Inhibition of Tyrosine Decarboxylase In Vitro	Table 1: Tyrosine decarboxylase (tdc) was obtained by following a previously published literature procedure (Science, 14 Jun. 2019: Vol. 364, Issue 6445, eaau6323). Tdc (220 nM final concentration) was thawed on ice and then mixed with pyridoxal-5-phosphate (2.2 mM final concentration) in 200 mM sodium acetate buffer, pH 5.5 optionally containing 1 mM TCEP. To this mixture was added inhibitor at a final concentration of 1000, 333, 111, 37, 12, 4.1, 1.4, or 0 μM (final volume: 100 μL; inhibitor was 100-fold concentrated in a solution of DMSO, H2O, or DMSO:H2O (1/1 v/v)). The protein-inhibitor mixture was incubated at room temperature for 60 min. 6 μL of this mixture was then withdrawn from each solution and mixed with 54 μL of 10 mM levodopa in 200 mM sodium acetate buffer pH 5.5. The final concentration of the reaction was 22 nM tdc, 220 μM pyridoxal-5-phosphate, 9 mM levodopa in 200 mM sodium acetate buffer pH 5.5 with 0-100 μM inhibitor. The reaction was proceeded for 5 min at room temperature before quenching by addition of 540 μL acetonitrile containing 0.1 (v/v) formic acid supplemented with 200 nM tolbutamide as an internal standard. The reactions were centrifuged (3,000 g, 10 min), and then 100 μL of each supernatant was transferred to a fresh plate. 100 μL of acetonitrile containing 0.1% (v/v) formic acid supplemented with 200 nM tolbutamide was added. An external standard curve containing 0-150 μM dopamine was prepared in the exact same manner.Dopamine formed in each reaction was quantified by using an Agilent 6470 triple quadrupole mass spectrometer equipped with an Acquity UPLC. Mobile phase A consisted of H2O containing 10 mM ammonium formate, pH 3.0 and supplemented with 0.1% (v/v) formic acid. Mobile phase B consisted of acetonitrile containing 10 mM ammonium formate, pH 3.0 and supplemented with 0.1% (v/v) formic acid. 5 μL of each sample was injected onto a BEH Amide column (Waters Corporation, 2.1×50 mm, 1.7 μm). The gradient was set to: 100% mobile phase B at 0 min, decreasing linearly to 65% mobile phase B by 1.5 min, held constant at 65% mobile phase B until 2.5 min, ramped back up to 100% mobile phase B by 2.6 min, and held constant at 100% mobile phase B until 4.2 min. The flow rate was 0.6 mL/min. The dopamine was detected by using the mass spectrometer in multiple reaction monitoring (MRM) mode, quantifying the transition 154.1 to 137.0 m/z in positive mode. The fragmentor setting was 74, the collision energy was 9, and the cell accelerator voltage was 4, and the dwell time was 20. Tolbutamide was monitored using MRM and quantifying the transition of 271.1 to 91.0 m/z in positive mode. The fragmentor setting was 88, the collision energy was 37, and the cell accelerator voltage was 4, and the dwell time was 20.
12514	2	 Inhibition of E. faecalis Decarboxylation Activity In Vitro	Table 2: A vial of 200 μL of Enterococcus faecalis v583 was removed from the −80° C. freezer and thawed in an anaerobic chamber containing an atmosphere of either 95/5 N2/H2 (v/v) or 90/5/5 N2/H2/CO2 (v/v). 200 μL was inoculated into 10 mL of sterile, anaerobic BHI broth, pH 5 (adjusted with NaOH). The culture was grown overnight at 37° C. under anaerobic conditions.After overnight incubation, 40 μL of the saturated starter culture was mixed with 744 μL of sterile, anaerobic BHI broth, pH 5 that had been supplemented with 1.5 mM levodopa. To this was added 16 μL of a 50-fold concentrated stock solution of inhibitor that had been dissolved in either DMSO, H2O, or DMSO:H2O (1:1 v/v). The final concentration of the inhibitor in each condition was 0, 0.001, 0.01, 0.1, 1, 10 or 100 μM. The contents of each incubation were mixed, and then 100 μL was transferred into a fresh 96-well plate. A standard curve of levodopa (0-1.5 mM) in BHI broth, pH 5.5 was likewise prepared on a 100 μL scale and aliquoted into the plate. The plate was sealed and incubated for 24 h at 37° C. under an atmosphere of either 95/5 N2/H2 (v/v) or 90/5/5 N2/H2/CO2 (v/v) in an anaerobic chamber.After 24 h incubation, the seal was removed, and the contents of each plate was mixed with 400 μL acetonitrile containing 0.1% (v/v) formic acid and 200 nM tolbutamide as an internal standard. The samples were mixed and then centrifuged (4,000 g, 10 min). 200 μL of each supernatant was transferred to a separate plate.The samples were analyzed by using an Agilent 6470 triple quadrupole mass spectrometer equipped with an Acquity UPLC. Mobile phase A consisted of H2O containing 10 mM ammonium formate, pH 3.0 and supplemented with 0.1% (v/v) formic acid. Mobile phase B consisted of acetonitrile containing 10 mM ammonium formate, pH 3.0 and supplemented with 0.1% (v/v) formic acid. 5 μL of each sample was injected onto a BEH Amide column (Waters Corporation, 2.1×50 mm, 1.7 μm). The gradient was set to: 100% mobile phase B at 0 min, decreasing linearly to 65% mobile phase B by 1.5 min, held constant at 65% mobile phase B until 2.5 min, ramped back up to 100% mobile phase B by 2.6 min, and held constant at 100% mobile phase B until 4.2 min. The flow rate was 0.6 mL/min. The levodopa was detected by using the mass spectrometer in multiple reaction monitoring (MRM) mode, quantifying the transition 198.1 to 151.9 m/z in positive mode. The fragmentor setting was 78, the collision energy was 13, and the cell accelerator voltage was 4, and the dwell time was 20. Tolbutamide was monitored using MRM and quantifying the transition of 271.1 to 91.0 m/z in positive mode. The fragmentor setting was 88, the collision energy was 37, and the cell accelerator voltage was 4, and the dwell time was 20.The amount of levodopa was quantified by comparing normalizing the area to the area of tolbutamide internal standard within each sample. This relative response was then compared to that of the standard curve to obtain the residual levodopa within each sample.
12515	1	Measurement of Dissociation Constants (K) by NMR	Dissociation constants were obtained by monitoring changes in chemical shifts as a function of ligand concentration. The changes in chemical shifts (d) were calculated according to the following equation (Williamson, Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 73, August 2013, Pages 1-16): d=√(1/2[δ_H{circumflex over ( )}2+(α−δ_N{circumflex over ( )}2)]), Where δ are the changes in chemical shift in ppm for 1H and 15N and the correction factor (α) was set at 0.15.1H 1D protein-observed experiments were recorded with 15-50 μM protein. The standard Bruker 1D 1H sequence with excitation sculpting (zgesgp) was employed. A relaxation delay of 1 s was employed in order to use 256 scans while still keeping experimental time fairly short. Changes in protein chemical shift or peak intensity in the methyl region were monitored against compound concentration.
12515	2	Measurement of Dissociation Constants (K) by Microscale Thermophoresis (MST)	MST experiments were performed with a Monolith NT.115 Pico (NanoTemper Technologies, Munich, Germany). Fluorescence labeling of GDP-HRasG12V was achieved according to the manufacturer&#39;s protocol of the His-Tag Labeling Kit RED-tris-NTA 2nd generation or Kit RED-NHS 2nd Generation Labeling Kit (NanoTemper Technologies, Munich, Germany). Protein concentration optimization was performed, and final concentrations were 20 nM fluorescently labeled GDP-HRasG12V. Data was acquired in PBS buffer with 0.1% pluronic acid. Data was analyzed with the NanoTemper MO.Affinity Analysis software.
12515	3	Measurement of Dissociation Constants (Kd) by ITC	ITC experiments were performed using a Nano ITC isothermal titration calorimeter from TA Instruments. Experiments were performed in reverse-mode by titrating 50 μL of protein solution at a concentration of 300-600 μM into 350 μL of ligand solution at concentrations between 10-50 μM. Stir rate was 200-250 rpm with 16-25 injections, each at 2-3 μL with 150 seconds between each injection. Data fitting was performed using Nano ITCRun software.
12515	4	Measurement of Dissociation Constants (Kd) by SPR	SPR experiments were performed using the P4SPR from Affinité Instruments using Ni-NTA immobilization chips and his-tagged protein. Ni-NTA coated surfaces allow the immobilization of his-tagged proteins by chelation of histidine residues to the nickel ion. The sensor chip was inserted into a quad inlet model P4SPR (with 4 independent channels). Once the instrument was turned on, the baseline was stabilized by deionized (DI) water, followed by signal stabilization by the running buffer. His-tagged protein at 10 μg/mL was injected into all 4 channels of the P4SPR and was left to react for 20 min. The sensor chip was then washed with DI water. The lowest concentration of the ligand was injected into the channels of the P4SPR and was left to react for 10 min. The SPR shift was saved. Then, a higher concentration of the ligand was injected, and the sample injection steps were repeated until all 5 concentrations have been added. The KD of the binding interaction between the ligand and protein was determined by using the affinity curve fitting function in the P4SPR Control software.
12516	1	Inhibitory Activity Assay	The screening of compounds for MPO inhibition activity was conducted in three stages. The inhibitory activity of each compound against MPO was assessed by measuring the IC50 values, which represent the concentration of the compound required to inhibit 50% of the MPO activity.  Following the successful identification of compounds with potent myeloperoxidase (MPO) inhibition activity from the second and third rounds of screening, these compounds were further tested for their ability to inhibit thyroid peroxidase (TPO).
12517	1	SERT Inhibition Assay	SERT inhibition was measured using a Neruotransmitter Transportation Fluorescence assay. Briefly, stable 5HTT cells were prepared in a 384 microwell plate. Compounds were prepared by in assay buffer (20 mM HEPES, 0.1% BSA). The compounds were added to the plated cells and incubated for 30 minutes at 37° C. 25 μL of dye solution (Molecular Devices Neurotransmitter Transporter Uptake Assay Kit) was added per well and incubated for 30 minutes at 37° C. The plates were then read on a plate reader.
12518	1	KHK Inhibition Assay	Determination of Human and Rat recombinant KHK-A and KHK-C isozyme IC50 ValuesAn assay reagent cocktail was prepared by combining NADH, water, TEA, KCl, MgCl2, PEP, ATP, DTT, coupling enzymes (pyruvate kinase and lactate dehydrogenase, LDH) to final concentrations as shown in Table B.TABLE BReagent Final ConcentrationNADH 300 μMWater —TEA 33 mMKCl 100 mMMgCl2 6 mMPEP 1.33 mMATP 0.1 mMDTT 12 mMPyruvate kinase 1.0 U/mLLDH 1.0 U/mL[0367]To this was added the relevant KHK isozyme to a final concentration of 6 nM. Aliquots of each inhibitor compound were diluted via 5-fold serial dilutions to produce final concentrations ranging from 1000 nM to 0.064 nM. The inhibitor aliquots were added to the assay reagent cocktail containing KHK with fructose (at a concentration of 2 mM) in a 96-well plate. The absorbance at 340 nm was measured via spectrophotometry and inhibition was analyzed using non-linear regression.
12519	1	TBD	TBD
12520	1	Activation Assay Measuring In Vitro Activation of Recombinant Human PKM2	Human PKM2 was diluted into Assay Buffer comprising 50 mM imidazole, 50 mM KCl, 7 mM MgCl2, 0.01% Tween20, 0.05% BSA (pH 7.2) to a final concentration of 5 pM. Enzyme-Assay Buffer mix was dispensed into a 384-well shallow-well white-walled plate (PerkinElmer) and Test Compounds added by acoustic dispense (Echo®, Labcyte Inc.). Following 10 minutes&#39; incubation at room temperature, the enzyme reaction was initiated by acoustic dispensing of ADP+PEP substrate to final concentrations of 254 μM ADP and 53 μM ADP.After 60 minutes&#39; incubation on an orbital shaker (300 rpm, 26° C.), enzyme activity was quantified by the luminescent detection of generated ATP. Kinase-Glo® Plus reagent was added to each well and the plates incubated for a further 15 minutes on an orbital shaker in the dark (300 rpm, 26° C.) before luminescence measurement on a plate reader (PHERAstar® FSX, BMG Labtech).
12521	1	SERT Inhibition Assay	SERT inhibition was measured using a Neruotransmitter Transportation Fluorescence assay. Briefly, stable 5HTT HEK293 cells were prepared in a 384 microwell plate. Compounds were prepared by in assay buffer (20 mM HEPES in HBSS, 0.1% BSA) at a top concentration of 1 μM. 10 doses of test compound (3-fold serial dilution) were added to the plated cells and incubated for 30 minutes at 37° C. 25 μL of dye solution (Molecular Devices Neurotransmitter Transporter Uptake Assay Kit) was added per well and incubated for 30 minutes at 37° C. The plates were then read on a plate reader.
12522	1	EGFR Biochemical Assay	Biochemical activity was determined using a chelation-enhanced fluorescence assay. EGFR enzyme was incubated with DMSO-dissolved inhibitors in reaction buffer (50 mM HEPES pH 7.4, 10 mM MgCl2, 1% glycerol, 0.0125% Brij-35, 1.2 mM DTT, and 0.02% BSA) for 30 min at RT before initiating reactions with AssayQuant peptide AQT0734 (10 μM) and ATP (see enzyme and ATP details in table below). Reaction times were 360 min (EGFR WT), or 150 min (EGFR (d746-750) T790M C797S; EGFR L8585R T790M C797S). Total substrate phosphorylation was measured as fluorescence intensity (excitation 360 nm, emission 480 nm) on a PerkinElmer Ensight plate reader. IC50 values were calculated by fitting background-subtracted fluorescence values to a log(inhibitor) vs. response Hill equation.Final enzyme ATPCat concentration, concentration,Protein Supplier No. nM nMEGFR WT SignalChem E10- 20 25112G EGFR SignalChem E10- 2.5 100(d746-750) 122UG T790M C797S EGFR SignalChem E10- 1.25 50(L858R 122VG T790M C797S)[1772]
12523	1	Ray2010 Assay 1	3H-U69,593 ILEUM PDSP; [17].
12523	2	Ray2010 Assay 2	3H-U69,593 cloned PDSP; [18].
12523	3	Ray2010 Assay 3	[Dmt]DALDA cloned [19].
12523	4	Ray2010 Assay 4	DMAGO cloned [19].
12523	5	Ray2010 Assay 5	[3H]U69,593 Brain PDSP; [20].
12523	6	Ray2010 Assay 6	3H-DAMGO ILEUM PDSP; [17].
12523	7	Ray2010 Assay 7	3H-Diprenorphine cloned PDSP; [18].
12523	8	Ray2010 Assay 8	3H-Dmt-DALDA Brain PDSP; [19].
12523	9	Ray2010 Assay 9	[3H]DAMGO Brain PDSP; [20].
12523	10	Ray2010 Assay 10	 HEK-mu cells [21].
12523	11	Ray2010 Assay 11	[3H]DAMGO BE(2)-C memberanes PDSP; [22].
12523	12	Ray2010 Assay 12	 adrenals [23].
12523	13	Ray2010 Assay 13	3H-DSLET vas deferens PDSP; [17].
12523	14	Ray2010 Assay 14	3H-Naltrindole cloned PDSP; [18].
12523	15	Ray2010 Assay 15	[3H][Ile5,6]deltorphin II Brain PDSP; [20].
12523	16	Ray2010 Assay 16	  [24].
12523	17	Ray2010 Assay 17	[3H]DPDPE BE(2)-C memberanes PDSP; [22].
12523	18	Ray2010 Assay 18	[3H]enkephalin memberane [25].
12523	19	Ray2010 Assay 19	3H-BAY 38-7271 CORTICAL MEMBRANES PDSP; [27].
12523	20	Ray2010 Assay 20	3H-BAY 38-7271 CLONED PDSP; [28].
12523	21	Ray2010 Assay 21	3H-CP-55940 CLONED PDSP; [29].
12523	22	Ray2010 Assay 22	3H-BAY 38-7271 CLONED PDSP; [27].
12523	23	Ray2010 Assay 23	3H-CP-55940 CLONED [30].
12523	24	Ray2010 Assay 24	3H-3-PPP,(+) BRAIN PDSP; [31].
12523	25	Ray2010 Assay 25	ketanserin cloned PDSP web;   .
12523	26	Ray2010 Assay 26	ketanserin Gf-6 cells .
12523	27	Ray2010 Assay 27	mesulergine cloned PDSP web;  .
12523	28	Ray2010 Assay 28	8-oh-dpat cloned PDSP web;  .
12523	29	Ray2010 Assay 29	5-HT striatum .
12523	30	Ray2010 Assay 30	5-HT caudate .
12523	31	Ray2010 Assay 31	SCH23390 cloned PDSP web;  .
12523	32	Ray2010 Assay 32	YM 09191-2 cloned PDSP web;  .
12523	33	Ray2010 Assay 33	7-OH-DPAT caudate .
12523	34	Ray2010 Assay 34	spiperone cloned .
12523	35	Ray2010 Assay 35	dihydro-alprenalol HCL cortex .
12523	36	Ray2010 Assay 36	[125I]RTI-55 occipital cortex .
12523	37	Ray2010 Assay 37	[125I]RTI-121 occipital cortex .
12523	38	Ray2010 Assay 38	(+)-pentazocine brain .
12523	39	Ray2010 Assay 39	(+)-pentazocine brain Mach et al.1995.
12523	40	Ray2010 Assay 40	(+)-pentazocine caudate .
12523	41	Ray2010 Assay 41	DTG + dextrallorphan liver .
12523	42	Ray2010 Assay 42	DTG liver .
12523	43	Ray2010 Assay 43	DTG brain .
12523	44	Ray2010 Assay 44	DTG hippocampus .
12523	45	Ray2010 Assay 45	pirenzepine hippocampus .
12523	46	Ray2010 Assay 46	pirenzepine cortex .
12523	47	Ray2010 Assay 47	pirenzepine forebrain .
12523	48	Ray2010 Assay 48	N-methylacoblamine forebrain .
12523	49	Ray2010 Assay 49	QBN cortex .
12523	50	Ray2010 Assay 50	AF-DX384 forebrain .
12523	51	Ray2010 Assay 51	pyrilamine forebrain .
12523	52	Ray2010 Assay 52	U69,593 cortex .
12523	53	Ray2010 Assay 53	U69,593 forebrain .
12523	54	Ray2010 Assay 54	carfentanil cortex .
12523	55	Ray2010 Assay 55	DAGO cortex .
12523	56	Ray2010 Assay 56	DAGO forebrain .
12523	57	Ray2010 Assay 57	 thalamic membraines Pablo et al. 1998.
12523	58	Ray2010 Assay 58	DPDPE cortex .
12523	59	Ray2010 Assay 59	MK-801 forebrain .
12523	60	Ray2010 Assay 60	MK-801 cortex .
12523	61	Ray2010 Assay 61	CGS-19755 forebrain .
12523	62	Ray2010 Assay 62	MK-801 hippocampus .
12523	63	Ray2010 Assay 63	MK-801 striatum .
12523	64	Ray2010 Assay 64	MK-801 Thalamus + hypothalamus .
12523	65	Ray2010 Assay 65	MK-801 spinal cord .
12523	66	Ray2010 Assay 66	MK-801 midbrain .
12523	67	Ray2010 Assay 67	MK-801 cerebellum .
12523	68	Ray2010 Assay 68	MK-801 basal forebrain .
12523	69	Ray2010 Assay 69	dizocilpine forebrain .
12523	70	Ray2010 Assay 70	muscimol cortex .
12523	71	Ray2010 Assay 71	GR65630 NG108-15 PDSP web;  .
12523	72	Ray2010 Assay 72	GABA cortex .
12523	73	Ray2010 Assay 73	TCP forebrain .
12523	74	Ray2010 Assay 74	Table S2 shows raw Ki data for the current study combined with data collected from the literature for the ten additional compounds.
12524	1	Scintillation Proximity RBP4 Binding Assay	Untagged human RBP4 purified from the urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated using the EZ-Link Sulfo-NHS-LC-Biotinylation kit from Pierce following the manufacturer&#39;s recommendations. Binding experiments were performed in 96-well plates (OptiPlate, PerkinElmer) in a final assay volume of 100 μl per well in SPA buffer (1×PBS, pH 7.4, 1 mM EDTA, 0.1% BSA, 0.5% CHAPS). The reaction mix contained 10 nM 3H-Retinol (48.7 Ci/mmol; PerkinElmer), 0.3 mg/well Streptavidin-PVT beads, 50 nM biotinylated RBP4 and a test compound. Nonspecific binding was determined in the presence of 20 μM of unlabeled retinol. The reaction mix was assembled in the dark under dim red light. The plates were sealed with clear tape (TopSeal-A: 96-well microplate, PerkinElmer), wrapped in the aluminum foil, and allowed to equilibrate 6 hours at room temperature followed by overnight incubation at +4° C. Radiocounts were measured using a TopCount NXT counter (Packard Instrument Company).
12524	2	CYP inhibition assays	CYP inhibition, fluorescent, no details are given.
12525	1	[3H] MK-801 Binding Assay	Assays were conducted as described in Moskal et al. (Moskal, J. R., Kuo, A. G., Weiss, C., Wood, P. L., O&#39;Connor Hanson, A., Kelso, S., Harris, R. B., Disterhoft, J. F., 2005. GLYX-13: a monoclonal antibody-derived peptide that acts as an N-methyl-D-aspartate receptor modulator. Neuropharmacology. 49, 1077-87) The potentiation of [3H]MK-801 binding (5 nM; 22.5 Ci/mmol) to well washed rat cortical membranes (200 μg) was measured under non-equilibrium conditions (15 min @ 25° C.) in the presence of increasing concentrations of test compounds and 50 μM glutamate. Zero levels were determined in the absence of any glycine ligand and in the presence of 30 μM 5.7 DCKA. Maximal stimulation was measured in the presence of 1 mM glycine, and 500 μM glutamate was present in all samples.
12526	1	Determination of Affinity of Human D2L Receptors in Competitive Binding Assay using [3H]raclopride	Table 3: Cultured CHO-K1 cells expressing recombinant human D2L receptors (DRD2L cAMP Hunter™, Gi cell line, Eurofins DiscoverX, Fremont, CA, USA) were homogenized in 4× (v/v) buffer solution (50 mM Tris, 5 mM MgCl2, 1 mM EGTA, pH 7.4 at 25° C.) with a Dounce tissue grinder and centrifuged at 40,000×g at 4° C. for 10 minutes. The supernatant was removed, and the pellet was resuspended in 4× buffer (v/v) and centrifuged. The resulting pellet was resuspended in the above buffer solution at a volume of 12.5 mL/g original weight. The membrane preparation was then aliquoted and stored at −70° C.Test compounds were diluted serially in DMSO and subsequently diluted to 5% DMSO (v/w) in binding buffer (50 mM Tris, 5 mM MgCl2, 5 mM KCl, 1 mM CaCl2), 120 mM NaCl, 1 mM EDTA). A 5× concentrated compound in binding buffer (50 μL) was transferred into 96 well deep-well plates (BRAND, Wertheim, Germany). Aliquoted membrane preparations were thawed and washed once in binding buffer. In the same buffer, 10 μg protein/well was incubated with 2 nM [3H]raclopride (PerkinElmer, Waltham, MA, USA) in the presence or absence of test compound (to determine the binding inhibition of the test compound or the total binding, respectively) for 120 minutes at 25° C. in a volume of 250 μL. Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol, an antagonist of the D2 receptor. After incubation, samples were filtered over UniFilter® GF/B plates (PerkinElmer) using a Filtermate™ harvester (PerkinElmer) and washed four times with 1 mL ice-cold binding buffer. The plates were dried at 40° C. for an hour and 40 μL Microscint™-20 scintillation cocktail (PerkinElmer) was added to each well. The radioactivity was determined using a MicroBeta2® microplate counter (PerkinElmer).
12526	2	Determination of Affinity of Human D2L Receptors in Competitive Binding Assay Using [3H]Spiperone	Table 4: CHO-K1 cells expressing human recombinant D2L receptors were washed with phosphate-buffered saline (PBS). Cells were scraped from the plates and centrifuged at 1000×g. Cells were disrupted using a Teflon® pestle homogenizer in buffer containing 25 mM Tris-HCl, pH=7.4, 6 mM MgCl2, 1 mM EDTA, 10 mM phenylmethylsulfonyl fluoride (PMSF). The resulting suspension was centrifuged at 1000×g. The supernatant was collected and centrifuged at 41,000×g. The supernatant was discarded, and the pellet was resuspended in above buffer. The membrane preparation was then aliquoted and stored at −70° C.Aliquoted membrane preparations were incubated with 0.16 nM [3H]spiperone (PerkinElmer) in the presence or absence of test compound in 96-well plates for 120 minutes at 25° C. in an incubation buffer containing 50 mM Tris-HCl, 1.4 mM ascorbic acid, 0.001% BSA, 150 mM NaCl, pH 7.4, with 1% DMSO in a final reaction volume of 222 μL. Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol (Sigma-Aldrich). After incubation, samples were filtered over UniFilter® GF/C plates (PerkinElmer), washed and Microscint™-20 scintillation cocktail was added. Radioactivity was determined with a MicroBeta2® microplate counter (PerkinElmer).From scintillation counts, NSB was subtracted to yield specific binding which was normalized to vehicle-treated samples and converted to displacement % values. IC50 values were determined by a non-linear, least squares regression analysis using MathIQ™ (ID Business Solutions Ltd., Surrey, UK).
12526	3	Determination of Affinity at Human D3 Receptors in Competitive Binding Assay Using [3H]raclopride	Table 7: Cell cultures (CHO-K1) expressing recombinant human D3 receptors (DRD3, GenBank ID U32499, purchased from Euroscreen Fast, Brussels, BE) were homogenized in 4× buffer (v/v) solution (15 mM Tris, 2 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA, pH 7.4 at 25° C.) with a Dounce tissue grinder and centrifuged at 40,000×g at 4° C. for 25 minutes. The supernatant was removed, and the pellet was resuspended in 4× (v/v) buffer and centrifuged. The process was repeated twice, and the pellet was resuspended in storage buffer (75 mM Tris, 12.5 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA, 250 mM sucrose, pH 7.4 at 25° C.) at a volume of 12.5 mL/g original cell weight. The membrane preparation was then aliquoted and stored at −70° C.Compounds were diluted in DMSO and binding buffer (containing 50 mM Tris, 5 mM MgCl2, 5 mM KCl, 1 mM CaCl2), 120 mM NaCl, 1 mM EDTA) and 50 μL of each solution was transferred into a deep-well plate (BRAND) in 5-fold final concentration in 5% DMSO-buffer solution. The aliquoted membrane preparation was thawed and washed once in binding buffer. In the same buffer, 3.3 μg protein/assay was incubated with ca. 2.7 nM [3H]raclopride (PerkinElmer) in the presence or absence of test compound for 120 minutes at 25° C. in a volume of 250 μL in a 96-well deep well plate (BRAND). Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol. DMSO final concentration was 1% (v/v) in all reactions. After incubation, samples were filtered over UniFilter® GF/B plates (PerkinElmer) using a Filtermate™ harvester (PerkinElmer) and washed with 4×1 mL ice-cold binding buffer. The plate was dried at 40° C. for an hour and 40 μL Microscint™-20 scintillation cocktail (PerkinElmer) was added to each well. Radioactivity was determined with a Microbeta2® microplate counter (PerkinElmer).
12526	4	Determination of Affinity at Human D3 Receptors in Competitive Binding Assay Using [3H]spiperone	Table 8: CHO-K1 cells expressing human recombinant D3 receptors were washed with PBS. Cells were scraped from the plates and centrifuged at 1000×g. Cells were disrupted using a Teflon® pestle homogenizer in buffer containing 25 mM Tris-HCl, pH=7.4, 6 mM MgCl2, 1 mM EDTA, 10 mM PMSF. The suspension was centrifuged at 1000×g. The supernatant was collected and centrifuged at 41,000×g. The supernatant was discarded, and the pellet was resuspended in above buffer. The membrane preparation was aliquoted and stored at −70° C.Aliquoted membrane preparations were incubated with 0.7 nM [3H]spiperone (PerkinElmer) in the presence or absence of test compound in 96-well plates for 120 minutes at 37° C. in an incubation buffer containing 50 mM Tris-HCl, 1.4 mM ascorbic acid, 0.001% bovine serum albumin, and 150 mM NaCl, at pH 7.4, with 1% DMSO in a final reaction volume of 222 L. Non-specific binding (NSB) was determined in the presence of 25 μM (S)-(−)-sulpiride (Sigma Aldrich). After incubation, samples were filtered on GF/C filter plates (PerkinElmer), washed, and Microscint™-20 scintillation cocktail was added. Radioactivity was determined in a MicroBeta2® microplate counter (PerkinElmer).From raw scintillation counts, NSB was subtracted to yield specific binding which was normalized to vehicle-treated samples and converted to displacement % values. IC50 values were determined by a non-linear, least squares regression analysis using MathIQ™ (ID Business Solutions Ltd., Surrey, UK). 
12526	5	Competitive Binding Assay	Table 11: Receptor membranes were prepared from the CHO-K1 recombinant AequoScreen® cell line stably expressing the human 5-HT2A receptor (PerkinElmer, Waltham, MA, USA). Cells were suspended in 4× volume in buffer A (15 mM Tris-HCl, pH 7.5, 2 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA) (1 g cell-4 mL buffer) and homogenized in a Dounce homogenizer. The crude membrane fraction was collected following two consecutive centrifugation steps at 40,000×g for 25 minutes separated by a washing step in buffer A. The final pellet was resuspended in buffer B (75 mM Tris-HCl, pH 7.5, 12.5 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA, 250 mM sucrose) in a concentration of 80 mg wet cell weight in 0.5 mL buffer, aliquoted and flash frozen on dry ice. Protein content was determined using the bicinchoninic acid assay in the presence of sulfhydryl reagents with bovine serum albumin (BSA) as a standard.In binding experiments, 15 μg protein/well membrane preparation and 1 nM ketanserin hydrochloride, [ethylene-3H] (PerkinElmer) as radioligand were incubated with compounds or vehicle (DMSO, 1% (v/v) final concentration) in an incubation buffer (50 mM Tris, 0.3% BSA, pH 7.4). Non-specific binding (NSB) was determined in the presence of 1 μM mianserin hydrochloride (Tocris, Bristol, UK). Samples were incubated in a final volume of 250 μL for 15 minutes at 25° C. Binding reactions were terminated by rapid filtration through a Filtermate™ harvester (PerkinElmer) using UniFilter® GF/C plates pre-soaked for at least 1 hour in 0.5% (v/v) polyethylene imine (PEI, dissolved in distilled water). The filter plates were washed three times with 0.5 mL of ice-cold washing buffer (50 mM Tris, pH 7.4). Washed filter plates were dried at 40° C. for 60 minutes and 40 μL of Microscint™-20 scintillation cocktail (PerkinElmer) was added to each well. Radioactivity was determined with a MicroBeta2® microplate counter (PerkinElmer).
12527	1	GCPII Activity Assay	Inhibition potencies against GCPII (IC50 values) were determined using previously described methods with minor modification. Rojas et al., 2002. Briefly, reactions were carried out in the presence of NAA-[3H]-G and human recombinant GCPII enzyme in Tris-HCl and CoCl2 at 37° C. for 20 minutes. Reactions were stopped with ice-cold sodium phosphate buffer containing 1 mM EDTA. Aliquots were then transferred to 96-well spin columns containing AG1X8 ion-exchange resin and centrifuged. NAA-[3H]-G was bound to the resin and [3H]-G eluted in the flow through. Columns were washed with formate to ensure complete elution of [3H]-G. The flow-through and the washes were collected, aliquots transferred and dried to completion in a solid scintillator-coated 96-well plate. The radioactivity corresponding to [3H]-G was determined with a scintillation counter. Subsequently, IC50 curves were generated from CPM results.
12528	1	Enzymatic Assay	The inhibitory potency of compounds of Escherichia coli UDP-2,3-diacylglucosamine hydrolase (LpxH) was determined in an enzymatic assay. UDP-2,3-diacylglucosamine (UDP-DAG) was purified from the Caulobacter crescentus LpxI D225A mutant protein that contained a tightly bound UDP-DAG molecule. The enzyme was diluted using assay buffer containing 50 mM NaCl, 20 mM Tris-HCl pH7.5, 2.5 mM MnCl2, 0.01% Triton X-100.1 mg/mL BSA, and the final concentration is 2 nM. The compounds were diluted by Agilent liquid handler Bravo, the compound&#39;s serial dilution dose ranges from 100 μM to 1.7 nM. Then the enzyme and compounds mixture were incubated at room temperature for 10 mins. The enzymatic assay was started by adding UDP-DAG (FAC is 5 μM) and incubated for 20 mins at room temperature. The plate was then heated to 95° C. for 15 mins on a water batch to stop the reaction. The hydrolysis of UDP-DAG by LpxH yielded 2,3-diacylglucosamine 1-phosphate (lipid X) and UMP, which was converted to ATP and quantified by the luciferase reaction using the UMP/CMP-Glo™ Glycosyltransferase Assay kit from Promega. The compound&#39;s inhibitory effect of LpxH is determined by measuring the light change using a luminometer (Envision).
12529	1	 Inhibitory Effects on Activities of Cytochrome P450 Isozymes	Inhibitory Effects on Activities of Cytochrome P450 Isozymes (CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4) from Human Liver Microsomes. A total of six specific probe substrates of six isozymes of CYPs, i.e., α-Naphthoflavone (CYP1A2), Sulphaphenazole (CYP2C9), Ticlopidine (CYP2C19), Quinidine (CYP2D6), Ketoconazole (CYP3A4), and Montelukast (CYP2C8) were co-incubated with recombinant hepatic drug enzymes CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4, and CYP2C8 and test compounds, respectively. Nicotinamide adenine dinucleotide phosphate (NADP+), D-glucose-6-phosphate (G6P) and glucose-6-phosphate dehydrogenase (G6DHP) were added to start the reaction. At the end of the reaction, the corresponding half maximal inhibitory concentrations (IC50) were calculated by the fluorescence detection method (Ex490 nm/Em520 nm).
12530	1	Inhibitory Action of PDHK2 Activity Assay	The test compounds were diluted with DMSO. To measure an inhibitory action of the test compound on the PDHK activity in the PDH/hPDHK2 complex solution, PDH/hPDHK2 complex solution (20 μL), test compound (1.5 μL) and 1.06 μmol/L ATP (diluted with assay buffer) (8.5 μL) were added to a 384 well microplate (Greiner Bio-One 781801) and PDHK reaction was performed at room temperature for 45 min (test compound well). DMSO (1.5 μL) was added to control wells instead of test compound. In addition, DMSO (1.5 μL) was added to blank wells instead of the test compound, and PDH solution was added instead of the PDH/hPDHK2 complex solution. To measure an inhibitory action of the test compound on the PDHK activity inherent in the PDH solution, a test compound was added and the PDH solution instead of the PDH/hPDHK2 complex solution was added to a blank+test compound well.
12531	1	KRAS-BRAF with CYPA (500 nM) Interaction Assay	In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was also used to measure disruption of KRAS G12D or KRAS G12V binding to BRAF by a compound of the invention, respectively. In assay buffer containing 25 mM HEPES PH=7.4 (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, Thermo, 15630080), 0.002% Tween20, 0.1% BSA, 100 mM NaCl, 5 mM MgCl2, 10 μM GMPPNP (Guanosine 5′-[β,γ-imido]triphosphate trisodium salt hydrate, Sigma, G0635), tagless CYPA, GMPPNP loaded 6His-KRAS proteins, and GST-BRAFRBD were mixed in a well of a 384-well assay plate at final concentrations of 50 nM, 6.25 nM and 1 nM, respectively. Compound was present in plate wells as a 16-point 3-fold dilution series starting at a final concentration of 10 μM and incubated for 3 hours. A mixture of MAb Anti-6His-XL665 (Cisbio, 61HISXLB) and Mab anti-GST-TB cryptate (Cisbio, 61GSTTLB) was then added at a final concentration of 6.67 nM and 0.21 nM, respectively, and the plate was incubated for an additional 1.5 hours. TR-FRET signal was read on a PHERstar FSX microplate reader (Ex320 nm, Em 665/615 nm). Compounds that facilitate disruption of the KRAS-BRAF complex were identified as those eliciting a decrease in the TR-FRET ratio relative to DMSO control wells.
12531	2	CYPA Binding Analysis by Surface Plasmon Resonance (SPR) Assay	All SPR experiments were conducted on a Biacore 8K+ instrument (Cytiva). Recombinant biotinylated CYPA protein with a C-terminal AVI tag was purified and immobilized on flow cell 2 of SA chip (Cytiva, BR100531), with the flow cell 1 as the blank reference. The running buffer was HBS-P+ Buffer (Cytiva, BR100827, 0.01 M HEPES pH 7.4,0.15 M NaCl, 0.05% v/v Surfactant P20), and the flow rate was 10 μL/min. The immobilization level was achieved to about 1800 response units (RU). Compounds were 3-fold serially diluted to 1.5-3333 nM using HBS-P+Buffer with a final DMSO concentration of 1.5%, and then loaded to flow through the chip surface at a rate of 30 μL/min with HBS-P+Buffer containing 1.5% DMSO as the running buffer. Experiments were performed at 25° C. The contact time and dissociation time were set to 60 s and 200 s, respectively. After binding and dissociation of each sample, the chip was regenerated using 1 M NaCl with a short contact time of 19 s at a rate of 60 μL/min. The sensorgrams were analyzed using Biacore Insight Evaluation software with 1:1 kinetics binding model to determine the association rate constant (kon), dissociation rate constant (koff) and equilibrium dissociation constant (KD).
12532	1	HTRF Binding Assay	Asymmetric bis-benzimidazole compounds (BBI) of the invention were assessed in a biochemical homogeneous time resolved fluorescence (HTRF) binding assay adapted from the human STING WT binding assay (“HTRF, A guide to Homogeneous Time Resolved Fluorescence”, (2021) PerkinElmer Cisbio; Mathis, G. Clinical Chemistry, 41(9):1391-1397). Briefly, 6His-tagged STING protein was incubated with terbium cryptate-labeled anti-6His antibody, d2-labeled 2′,3′-cGAMP, and varying concentrations of test articles in a 384-well plate format. Donor and acceptor emission signals were measured for each well by plate reader at 665 and 615 nm, respectively, and the ratio of the signals used to calculate percent inhibition of d2-labeled 2′,3′-cGAMP, cyclic dinucleotide binding. Dose-response curves generated from these data were used to calculate 1C50 values.
12533	1	STING-Binding Test	Test compound (2 μL), Streptavidin-Terbium (4 μL, Cisbio), Fluorescein-labeled 2′,3′-cGAMP (c[G(2′,5′)p-2′-Fluo-AHC-A(3′,5′)p]) (Biolog, Germany) and biotinylated STING protein (2 μL, wild-type, WT) were mixed using assay buffer (Dulbecco&#39;s Phosphate-Buffered Saline (Wako Pure Chemical Industries, Ltd.) containing 0.01% bovine serum albumin free of fatty acid (Wako Pure Chemical Industries, Ltd.)), and the mixture was left to stand at room temperature for 3 hr (The final concentration. Streptavidin-Terbium; diluted by 1/1000, FITC-cGAMP; 1 μM, biotinylated STING protein; 100 nM). The time-resolved fluorescence resonance energy transfer (TR-FRET) was measured at the wavelength of 520 nm and 486 nm by EnVision (PerkinElmer, Waltham, MA, US). The inhibition rate of the binding of wild-type STING protein and 2′,3′-cGAMP of the test compound was calculated using the ratio of the count at 520 nm divided by the count at 486 nm.
12534	1	Thioredoxin Reductase 1 (TrxR1) Inhibitory Activity Assay	Thioredoxin is known to influence melanogenesis substrates [Y Lu et al., Modulating skin colour: role of thioredoxin and glutathione systems in regulating melanogenesis, Bioscience Reports, 2021; 41 BSR20210427]. Accordingly, a study was undertaken to assess the impact, if any, of zinc di-(di-n-butyryl lysinate) (ZDBL), Ca di-(di-n-butyryl lysinate) and combinations thereof on the inhibition of thioredoxin reductase. Test materials were prepared by dissolving 0.01 gm of each test material in 1 ml ethanol to make stock solutions. For the analysis, 1 to 4 serial dilutions of the stock solutions using buffer (100 mM Potassium phosphate pH 7.0 containing 10 nM EDTA) were prepared to determine the IC50 values. Thioredoxin reductase 1 (Raybiotech, Catalog #228-12536-2) was added to the sample and the mixture was incubated for 1 hour at room temperature. After incubation, the working buffer (Phosphate buffer containing 2 mM DTNB and 0.2 mM NADPH) was added. The plate was read at 412 nm for 30 minutes to determine the inhibition.
12534	2	NADPH Oxidase (NOX-4) Inhibitory Activity Assay	A study was conducted on the direct impact of Zn di-(di-n-butyryl lysinate) (ZDBL), Ca di-(di-n-butyryl lysinate), and Na butyrate on NADPH Oxidase 4 (NOX-4) enzyme. In this study, 0.01 gram of sample was dissolved in 1 ml propanediol to make solution. For the analysis, a 1 to 2 serial dilution of the stock solution of the sample using buffer was made to determine the IC50 values. The analysis was done following NOX4 ELISA kit (My BioSource, Catalog #MBS2505108) protocol.
12535	1	RIPK1 HTRF Binding Assay	A solution was prepared containing 0.2 nM Anti GST-Tb (Cisbio, 61GSTTLB), 90.6 nM probe and 1 nM His-GST-TVMV-hRIPK1 (1-324) in FRET Buffer (20 mM HEPES, 10 mM MgCl2, 0.015% Brij-35, 4 mM DTT, 0.05 mg/mL BSA). Using Formulatrix Tempest, the detection antibody/enzyme/probe solution (2 mL) was dispensed into wells of a 1536 plate (Black Low Binding Polystyrene 1536 Plate (Corning, 3724)) containing 10 nL of compounds of interest at appropriate concentration in DMSO. The plate was incubated at rt for 1 h. FRET was measured using the EnVision plate reader (Excitation: 340 nM, Emission: 520 nM/495 nM). Total signal (0% inhibition) was calculated from wells containing 10 nL DMSO only. Blank signal (100% inhibition) calculated from wells containing 10 nL of 15 nM staurosporine and internal controls.
12536	1	TREX1 Biochemical Assay	Compound potency was assessed through a fluorescence assay measuring degradation of a custom dsDNA substrate possessing a fluorophore-quencher pair on opposing strands. Degradation of the dsDNA liberates free fluorophore to produce a fluorescent signal. Specifically, 7.5 μL of N-terminally His-Tev tagged full length human TREX1 (expressed in E. coli and purified in house) in reaction buffer (50 mM Tris (pH 7.4), 150 mM NaCl, 2 mM DTT, 0.1 mg/mL BSA, 0.01% (v/v) Tween-20 and 100 mM MgCl2 were added to a 384-well Black ProxiPlate Plus (Perkin Elmer) which already contained compound (150 nL) at varying concentrations as a 10 point dose-response in DMSO. To this was added 7.5 μL of dsDNA substrate (Strand A: 5′ TEX615/GCT AGG CAG 3′; Strand B: 5′ CTG CCT AGC/IAbRQSp (Integrated DNA Technologies)) in reaction buffer. Final concentrations were 150 pM TREX1, 60 nM dsDNA substrate in reaction buffer with 1.0% DMSO (v/v). After 25 minutes at room temperature, reactions were quenched by the addition of 5 μL of stop buffer (same as reaction buffer plus 200 mM EDTA). Final concentrations in the quenched reaction were 112.5 pM TREX1, 45 nM DNA and 50 mM EDTA in a volume of 20 μL. After a 5-minute incubation at room temperature, plates were read in a laser sourced Envision (Perkin-Elmer), measuring fluorescence at 615 nm following excitation w/570 nm light. 
12536	2	TREX2 Biochemical Assay	Compound potency was assessed through a fluorescence assay measuring degradation of a custom dsDNA substrate possessing a fluorophore-quencher pair on opposing strands. Degradation of the dsDNA liberates free fluorophore to produce a fluorescent signal. Specifically, 7.5 μL of N-terminally His-Tev tagged human TREX2 (residues M44-A279, expressed in E. coli and purified in house) in reaction buffer (50 mM Tris (pH 7.4), 150 mM NaCl, 2 mM DTT, 0.1 mg/mL BSA, 0.01% (v/v) Tween-20 and 100 mM MgCl2) was added to a 384-well Black ProxiPlate Plus (Perkin Elmer) which already contained compound (150 nL) at varying concentrations as a 10 point dose-response in DMSO. To this was added 7.5 μL of dsDNA substrate (Strand A: 5′ TEX615/GCT AGG CAG 3′; Strand B: 5′ CTG CCT AGC/IAbRQSp (IDT)) in reaction buffer. Final concentrations were 2.5 nM TREX2, 60 nM dsDNA substrate in reaction buffer with 1.0% DMSO (v/v). After 25 minutes at room temperature, reactions were quenched by the addition of 5 μL of stop buffer (same as reaction buffer plus 200 mM EDTA). Final concentrations in the quenched reaction mixture were 1.875 pM TREX2, 45 nM DNA and 50 mM EDTA in a volume of 20 μL. After a 5-minute incubation at room temperature, plates were read in a laser sourced Envision (Perkin-Elmer), measuring fluorescence at 615 nm following excitation w/570 nm light.
12537	1	Electrophoretic Mobility Shift Assay (MSA)	Btk kinase activity was measured in vitro using an electrophoretic mobility shift assay (MSA). The ability of Btk to phosphorylate a fluorescent peptide substrate (FAM-GEEPLYWSFPAKKK-NH2) was measured. The kinase reactions were assembled in a total volume of 25 μL per well in 384 well plates. Specifically the following was added: (1) compound buffer or control: 5 μL of 5× compound buffer [(5× compound buffer comprised of: 1× Master Buffer, X μM test compound in 5% dimethyl sulfoxide; (2× Master Buffer comprised of 200 mM HEPES, pH 7.5, 0.2% BSA, and 0.02% Triton X-100)]; and (2) enzyme buffer: 10 μL of 2.5× enzyme buffer (1× Master Buffer, 12.5 mM MgCl2, 2.5 mM DTT, 25 μM sodium orthovanadate, 25 μM beta-glycerophosphate, and 1.25 nM BTK enzyme). Human BTK enzyme Nanosyn-293HEK, wild-type, available from Nanosyn, Santa Clara, CA). Enzyme and compound were pre-incubated for 15 minutes. Additionally, the following was added: (3) substrate buffer: 10 μL of 2.5× substrate buffer (1× Master Buffer, 50 μM ATP, and 2.5 μM of the peptide substrate FAM). Each plate was incubated at 25° C. for 3 hours. The reaction was terminated by adding to each well: 45 μL of 1.55× stop buffer (1× Master Buffer and 31 mM EDTA). The final reaction mixture was as follows: 100 mM HEPES, pH 7.5; 0.1% BSA; 0.01% Triton X-100; 1 mM DTT; 5 mM MgCl2; 10 μM sodium orthovanadate; 10 μM beta-glycerophosphate; 50 μM ATP; 1% dimethyl sulfoxide (from compound); 1 μM fluorescent peptide substrate and 0.5 nM BTK-enzyme.
12537	2	AlphaLISA Human Cereblon Binding Assay	Competition Assay: Test compounds in 100% dimethyl sulfoxide were plated onto white, low volume 384 well plates (PerkinElmer Proxiplate 384 plus #6008289) using an Labcyte Echo acoustic dispenser, in an 11-point dose curve and 3-fold dilution scheme. This resulted in 10 μM top dose (starting concentration) and 0.1% DMSO final concentrations after the addition of 10 μL of an assay mixture containing His-tagged Cereblon/DDB1 complex and 50 μM biotin-labeled ligand in a buffer (buffer: 10 mM HEPES pH 7.4, 150 mM NaCl, 0.05% Tween-20 and 10 mM DTT). Plates were incubated for 30 minutes at room temperature.
12538	1	Inhibition of SIK; Abl and Src Kinases	Briefly, a radiometric protein kinase assay (33PanQinase® Activity Assay) was used for measuring the kinase activity of the five protein kinases. All kinase assays were performed in 96-well FlashPlates™ from PerkinElmer (Boston, MA, USA) in a 50 uL reaction volume. The reaction cocktail was pipetted in four steps in the following order:25 uL of assay buffer (standard buffer/[gamma-33P]-ATP)10 uL of ATP solution (in water)5 uL of test compound (in 10% DMSO)20 uL enzyme/substrate mixThe assay for all protein kinases contained 70 mM HEPES-NaOH pH7.5, 3 mM MgCl2, 3 mM MnCl2, 3 μM Na-orthovanadate, 1.2 mM DTT, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase, see Table 2A), [gamma-33P]-ATP (approx. 8×105 cpm per well), protein kinase (variable amount, see Table 2A), and substrate (variable amounts, see Table 2A).
12539	1	Receptor Binding Assay	In general, the results are expressed as a percent of control specific binding:measured⁢specific⁢bindingcontrol⁢specific⁢binding×100and as a percent inhibition of control specific binding:100-(measured⁢specific⁢bindingcontrol⁢specific⁢binding×100)obtained in the presence of the test compounds.The IC50 values (concentration causing a half-maximal inhibition of control specific binding) and Hill coefficients (nH) are determined by non-linear regression analysis of the competition curves generated with mean replicate values using Hill equation curve fitting:Y=D+[A-D1+(C/C50)nH]where Y=specific binding, A=left asymptote of the curve, D=right asymptote of the curve, C=compound concentration, C50=IC50, and nH=slope factor. This analysis was performed using in-house software and validated by comparison with data generated by the commercial software SigmaPlot® 4.0 for Windows® (© 1997 by SPSS Inc.). The inhibition constants (Ki) were calculated using the Cheng Prusoff equation:Ki=IC50(1+L/KD)where L=concentration of radioligand in the assay, and KD=affinity of the radioligand for the receptor. A Scatchard plot is used to determine the KD.
12540	1	Fluorescence Polarization (FP) Competition Binding Assay	To establish assay conditions for competition binding, an enzyme titration/saturation binding experiment was initially performed. Bocillin-FL was prepared at 0.2 μM in a buffer comprised of 50 mM Hepes (pH 8.0), 300 mM NaCl and 5% (v/v) glycerol. Saturation binding was performed by mixing 40 μl of PBP solutions ranging in concentrations from 0-12 μM with 40 μl of the 0.2 μM Bocillin-FL solution, in individual wells of a black 384-well microplate. FP was measured immediately upon mixing (Excitation, 490 nm; Emission, 520 nm; g-factor, 0.96), using a Cytation3 (BioTek) microplate reader and measured continuously for up to 120 minutes. The FP response became stable after 30 minutes (80 minutes for PBP2), and showed a dose dependence on PBP concentration. For all PBPs the FP signal approached saturation with 1.5 μM PBP (final concentration). The competition binding assay was validated using beta-lactams ampicillin, aztreonam, mecillinam or meropenem. Assays (80 μl final volume) were performed with PBPs at a final concentration of 1.5 μM, Bocillin-FL at 0.1 μM and beta-lactam concentrations that ranged from 0-1000 μM. PBP3 was incubated with increasing concentrations of ampicillin or aztreonam in a black 384-well microplate (Corning) for 30 minutes, and PBP2 and PBP4 were likewise incubated with increasing concentrations of mecillinam and meropenem, respectively. Bocillin-FL was added and the FP immediately measured for 60 minutes (90 minutes for PBP2). 
12541	1	Assay of FatA Acyl-ACP Thioesterase	To determine the level of FatA thioesterase activity in the presence of test compounds, an assay buffer consisting of 50 mM Tris-HCl pH 8.0, 0.15M NaCl, 5 mM EDTA, 10 μM oleoyl-CoA is combined with enzyme (1-80 nM Arabidopsis FatA thioesterase) to a final volume of 100 μl. The assay is carried out in black 96-well microtitre plates into which test compounds dissolved in DMSO (1% v/v final assay concentration) have been dispensed prior to the addition of other assay components. Once all assay components have been added, the plates are incubated at room temperature for 5 min during which time the reaction progresses at a linear rate. Enzymatic activity is simultaneously stopped, and detection reagent added, by the addition of 10 μl solution of 220 μM 7-diethylamino-3-(4′-maleimidylphenyl)-4-methylcoumarin (“CPM”) dissolved in 50% v/v ethanol. After an appropriate time to allow for near complete reaction of the CoASH formed by the enzyme with CPM, the fluorescence is read in a plate reader using excitation and emission wavelengths of 390 nm and 470 nm respectively. The assay signal associated with maximal (uninhibited) enzyme activity is determined with DMSO present in the reaction at 1% v/v final concentration and the assay signal associated with full enzyme inhibition is determined from wells to which no enzyme has been added.
12542	1	Inhibitory Effects of Compounds on Kinase Activity Assay	1) IRAK4 kinase was dissolved in kinase buffer (50 mM HEPES pH 7.5, 10 mM MgCl2, 2 mM DTT and 0.01% Brij-35) to a final concentration of 6 nM.[0542]2) The substrate peptide FAM-P8 and ATP were dissolved in the above kinase buffer. The final concentrations of the IRAK4 substrate peptide FAM-P8 and ATP were 3 μM and 10 μM respectively.[0543]3) Dilution of the compounds: the compound was first diluted to 50 μM, and then diluted down with a 4-fold gradient of DMSO. The solution without the compound and kinase is used as a blank control, corresponding to the “minimum value” shown below; and the solution without the compound but with kinase, adenosine 5′-triphosphate disodium salt hydrate, DMSO and buffer is used as a positive control, corresponding to the “maximum value” shown below. 4) Kinase reaction and termination: 10 μL of kinase buffer was added to a 384-well plate containing 5 μL of the compound to be tested, and incubated at room temperature for 10 minutes. Another 10 μL of buffer containing the substrate peptide and adenosine 5′-triphosphate disodium salt hydrate was added to the 384-well plate. After incubation at 28° C. for one hour, 25 μL stop solution (100 mM HEPES pH 7.5, 50 mM EDTA, 0.2% Coating Reagent #3 and 0.015% Brij-35) was added to each well to terminate the reaction.[0544]5) Data reading: the CaliperEZ Reader II instrument was used to read the conversion rate data. Conditions: downstream voltage −500V, upstream voltage −2250V, base pressure −0.5 PSI, and screening pressure −1.2 PSI.[0545]6) Data calculation: the conversion rate data was copied from CaliperEZ Reader II and converted into inhibition rate data. The calculation formula is as follows:Inhibition⁢percentage⁢(%)=(maximum⁢value-conversion⁢rate)⁠/(maximum⁢value-minimum⁢value)*100⁢%IC50 values were fitted using XLFit excel add-in version 5.4.0.8,Y=Bottom+(Top−Bottom)/(1+(IC50 /X){circumflex over ( )}HillSlope)  Fitting formula
12543	1	Surface Plasmon Resonance (SPR) Assay	Surface Plasmon Resonance (SPR) Experiments. SPR experiments were performed on a Biacore S200 instrument at 25° C. Biotinylated Hsp90 Nuclear Binding Domain (NBD) was diluted to 40 μg/mL and immobilized on a streptavidin chip (Sensor Chip SA, GE Healthcare) at a density of 2000-2500 response units (RU) on the biosensor surface.Recombinant Hsp90 NBDs were expressed and purified as previously described (Whitesell et al., Nat Commun 10, 402 (2019)) with the following modification; Hsp90 NBD expression constructs were modified to encode a C-terminal AviTag for site-specific on-column biotinylation with a BirA biotin-ligase kit (Avidity LLC; BirA-500). Stock protein solutions in 50% glycerol were stored at −20° C. until dilution into relevant buffers. Binding experiments were done in HBS-P (0.01 M HEPES, pH 7.4, 0.15 M NaCl, 0.005% v/v surfactant P20, GE Healthcare) with 2% DMSO at flow rate of 40 μL/min. Test compounds (dilution series) were injected with a 60 s association time and 600 s dissociation time. Resulting sensorgrams were analyzed with a fit to a 1:1 binding model, using BIA evaluation software.
12544	1	TBD	TBD
12545	1	Fluorescence Polarization Assay for PMS2	Test compounds, as 10 mM DMSO stocks, were dispensed into a Black Fluotrac 200 384 well medium binding plate (Greiner Bio-One, item number 781076) using a Labcyte Echo acoustic liquid handler. For single point screening, test compounds were added to wells in columns 1-22 whilst DMSO was added to wells in columns 23 and 24 in order to normalise the plate. For potency determination, serial dilutions of test compounds were added to wells in columns 3-22 and DMSO volume was normalised across the plate.20 μL of a 2× solution (20 nM) of recombinant N-terminal PMS2 (residues 1-365) in assay buffer (25 mM HEPES, pH 7.5, 250 mM NaCl, 10 mM MgCl2, 0.01% Triton X-100, 5 mM Dithiothreitol) was added to all wells in columns 2-23 for potency determination or columns 1-23 for single point screening. 20 μL assay buffer was added to all wells in columns 1 and 24 (column 24 only for single point screening) using a MultiDrop Combi (ThermoFisher). Plates were centrifuged for 1 minute at 250×g and were incubated at room temperature for 30 minutes prior to the addition of 20 μL of 2× (20 nM) of 5-((5-(4-((2-(2,4-dihydroxy-5-isopropylbenzoyl)isoindolin5-yl)methyl)piperazin-1-yl)pentyl)carbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate (referred to hereinafter as “probe compound”) in assay buffer (prepared from a 100 μM DMSO stock) with a MultiDrop Combi (ThermoFisher). The final concentration of N-terminal PMS2 was 10 nM and the final concentration of probe compound was 5 nM.Compound plates were centrifuged for 1 minute at 250×g for 1 minute and were incubated at room temperature for 1 hour before being read on a PheraStar FSX (fitted with 384-well aperture spoon and 540 590 590 FP optic module). The gain and focus were adjusted before each plate was read so that the polarisation of a no enzyme control (column 24) was equal to 35 mP
12546	1	Serotonin transporter (SERT) Uptake Inhibition Assay	Serotonin transporter (SERT) Uptake Inhibition: Compound activity was assessed using an in vitro assay. Briefly, HEK cells expressing recombinant SERT were plated at 50,000 cells/well on a 96 well plate pre-coated with Matrigel one day prior to the experiment. Culture medium (DMEM/FBS) was removed from each well, and 30 μl of assay buffer (Tris-HCl 50 mM, EDTA 4 mM, BDA 0.1%) with the desired concentration of test compound was added. The plate was incubated at 37° C. for 15 minutes. Assay buffer (30 μl) containing the same concentration of compound diluted in [3H]-Serotonin uptake buffer (final concentration 10 nM) was added to each well and the plate was incubated at 37° C. for 5 minutes. The reaction mixture was removed, and the cells were washed (2×) with 100 μl ice-cold assay buffer. Lysis buffer (50 μl) was added to the cells followed by a 5 minute incubation with gentle shaking at room temperature. The lysate was transferred to a 96 well isoplate. Optiphase supermix (100 μl) was added to each well and was thoroughly mixed. Radioactivity was counted with Microbeta Counter and reported as counts per minute (CPM). Fluoxetine was used as a control to measure non-specific uptake and for data normalization. Percent inhibition of [3H]-Serotonin uptake is based on the calculation: 100×(1−(CPMtest sample−CPMnon-specific uptake)/(CPMMAX−CPMMIN)).
12546	2	Dopamine transporter (DAT) Uptake Inhibition Assay	Compound activity was assessed using a convenient in vitro assay. Briefly, HEK cells expressing recombinant DAT were plated at 50,000 cells/well on a 96 well plate pre-coated with Matrigel one day prior to the experiment. Culture medium (DMEM/FBS) was removed and 30 μl of assay buffer (Tris-HCl 50 mM, EDTA 4 mM, BDA 0.1%) with the desired concentration of test compound was added. The plate was incubated at 37° C. for 15 minutes. Assay buffer (30 μl) containing the same concentration of compound diluted in [3H]-Dihydroxyphenylethylamine (dopamine) uptake buffer (final concentration 20 nM) was added to each well and the plate was incubated at 37° C. for 5 minutes. The reaction mixture was removed, and the cells were washed with 100 μl ice-cold assay buffer twice. Lysis buffer (50 μl) was added to the cells followed by a 5 minute incubation with gentle shaking at room temperature. The lysate was transferred to a 96 well isoplate. Optiphase supermix (100 μl) was added to each well with complete mixing. Radioactivity was counted with Microbeta Counter and reported as CPM. Nomifensine was used as a control to measure non-specific uptake and for data normalization. Percent inhibition of [3H]-Dopamine uptake calculations: 100×(1−(CPMtest sample−CPMnon-specific uptake)/(CPMMAX−CPMMIN)).
12546	3	Norepinephrine transporter (NET) Uptake Inhibition ASsay	Compound activity was assessed using a convenient in vitro assay. Briefly, HEK cells expressing recombinant NET were plated at 50,000 cells/well on a 96 well plate pre-coated with Matrigel one day prior to the experiment. Culture medium (DMEM/FBS) was removed and 30 μl of assay buffer (Tris-HCl 50 mM, EDTA 4 mM, BDA 0.1%) with the desired concentration of test compound was added. The plate was incubated at 37° C. for 15 minutes. Assay buffer (30 μl) containing the same concentration of compound diluted in [3H]-Norepinephrine uptake buffer (final concentration 20 nM) was added to each well and the plate was incubated at 37° C. for 5 minutes. The reaction mixture was removed, and the cells were washed with 100 μl ice-cold assay buffer twice. Lysis buffer (50 μl) was added to the cells followed by a 5 minute incubation with gentle shaking at room temperature. The lysate was transferred to a 96 well isoplate. Optiphase supermix (100 μl) was added to each well with complete mixing. Radioactivity was counted with Microbeta Counter and reported as CPM. Desipramine was used as a control to measure non-specific uptake and for data normalization. Percent inhibition of [3H]-Norepinephrine uptake calculations: 100×(1−(CPMtest sample−CPMnon-specific uptake)/(CPMMAX−CPMMIN)).
12547	1	Determination of CRBN-Binding Affinity of Compounds	1. According to the instructions of the CEREBLON BINDING kits, the compounds to be tested of the present invention and lenalidomide were serially diluted using diluent #9 (1×) solution to obtain a final concentration of 2 μM for both the tested compounds and lenalidomide solution.2.2.5 μL of the above 2 μM of the tested compounds and lenalidomide solution, as well as the same volume of diluent #9 (1×) solution (solvent control group, Std0) were taken and added to each well of a 96-well plate, respectively. Then, 2.5 μL of (human Cereblon WT GST-tagged protein) solution was added to each well. Finally, 5 μL of the uniformly mixed thalidomide-Red reagent and GST Eu antibody working solution were added to each of the above wells. The final concentration of the tested compounds and lenalidomide in each well is 0.5 μM.3. The blank control wells were sequentially added with 2.5 μL of diluent #9 (1×) solution, 2.5 μL of PROTAC binding buffer, and 5 μL of uniformly mixed thalidomide-Red reagent and GST Eu antibody working solution.4. After sealing and incubating the solutions in the above wells at room temperature for 3 hours, the absorbance values at emission wavelengths of 620 nm and 665 nm were detected by the HTRF method using a Spark microplate reader (V3.1 SP1).
12548	1	Binding Assay	DDR1 and DDR2 binding assays were performed using Life Technologies LanthaScreen™ Europium Kinase Binding assay. The compounds were incubated with 5 nM DDR1 (Carna Biosciences) or 5 nM DDR2 (Life Technologies) for 1 hour at rt in white 384-well OptiPlate (PerkinElmer), containing 20 nM or 10 nM Kinase Tracer 178 respectively and 2 nM Europium labelled anti-GST antibody (Life Technologies) in assay buffer (50 mM HEPES pH 7.5, 10 mM MgCI2, 1 mM EGTA and 0.01% BRIJ35). The ratio of fluorescence emission 665 nm/615 nm after excitation at 340 nm was obtained using the Tecan Spark 20M plate reader. IC50 values were determined in GraphPad Prism 7.0 software, using 4 parameter model: log(inhibitor) vs. response. IC50 values were converted in Ki using the Cheng-Prusoff equation (Ki=IC50/(1+[Tracer]/Kd).
12549	1	Homogeneous Time Resolved Fluorescence (HTRF)	DCAF15 interactions with test compounds were monitored using HTRF competition assays (Cisbio, Bedford, MA). Test compounds were first collected in a 384-well microplate (cat. #781280, Grenier Bio-One, Monroe, NC) as 10 mM stocks in 100% dimethyl sulfoxide (DMSO). A second stock plate (cat. #781280, Grenier Bio-One, Monroe, NC) was prepared through 3-fold serial dilution in DMSO of the afore-mentioned stocks using a Mosquito HTS dispenser (mosquito@ HTS, SPT Labtech, Boston, MA). 0.2 μL of these diluted stocks were then dispensed into a 384-well Optiplate (cat. #6007290, Perkin Elmer, Waltham, MA) in duplicate wells, to assemble the assay plate. The tracer molecule containing an Alexa Fluor 647 probe was prepared in 25 mM HEPES pH 7.5, 100 mM NaCl, 0.1 mg/ml BSA, 0.005% Tween 20, 0.5 mM TCEP (dilution buffer) to 612 nM (2.04×). Separately, His-tagged DCAF15 complex was prepared at 32 nM (4×) in the dilution buffer, and mAb Anti-6His-Eu cryptate Gold (cat. #61H12KLA, Cisbio, Bedford, MA) at 4× dilution in the detection buffer (cat. #61DB9RDF, Cisbio, Bedford, MA). These two solutions were mixed and incubated for 15 min at room temperature. 9.8 μL of the tracer solution and 10 μL of the DCAF15/mAb Anti-6His-Eu cryptate Gold mixture were added sequentially to each well in the assay plate. Reaction mixtures with no DCAF15 added were included as positive controls. The final mixture was incubated for an hour at room temperature and spun down briefly before data collection at 615 nm and 666 nm using EnVision 2104 Multilabel Plate Reader (Perkin Elmer, Bedford, MA).
12550	1	Radiolabel Binding Studies for Serotonin 5-HT7 Receptor	A stock concentration of 5 nM [3H]-5-Hydroxytryptamine ([3H]-5HT) is prepared in 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH 7.4 (Assay Buffer). Aliquots (50 l) of radioligand are dispensed into the wells of a 96-well plate containing 100 μl of Assay Buffer. Duplicate 50-μl aliquots of the compound of the disclosure test and chlorpromazine positive control reference compound serial dilutions are added.Membrane fractions of cells expressing recombinant 5HT7 receptors (50 L) are dispensed into each well. The membranes are prepared from stably transfected cell lines expressing 5HT7 receptors cultured on 10-cm plates by harvesting PBS-rinsed monolayers, resuspending and lysing in chilled, hypotonic 50 mM Tris-HCl, pH 7.4, centrifuging at 20,000×g, decanting the supernatant and storing at −80° C.; the membrane preparations are resuspended in 3 ml of chilled Assay Buffer and homogenized by several passages through a 26 gauge needle before using in the assay.The 250-μl reactions are incubated at room temperature for 1.5 hours, then harvested by rapid filtration onto 0.3% polyethyleneimine-treated, 96-well filter mats using a 96-well Filtermate harvester. Four rapid 500-1 washes are performed with chilled Assay Buffer to reduce non-specific binding. The filter mats are dried, then scintillant is added to the filters and the radioactivity retained on the filters is counted in a Microbeta scintillation counter.
12552	1	Homologous Time Resolved Fluorescence (HTRF) Assay	The assays were performed in assay buffer consisting of 20 mM Hepes, 150 mM NaCl, 0.01% Triton X-100, 0.5 mM TCEP, 0.01% BSA. On the day of the assay, a 20 point, 1:2 master serial dilution of each compound was prepared in DMSO to span a final concentration range of 10 μM to 0 nM. Two hundred nanoliters of diluted compound was added to each well of a 384-well plate. Fifteen microliters of biotinylated-Cbl-b resuspended in assay buffer were added to each well and the plate incubated for 60 minutes at room temperature prior to addition of 5 μL of BODIPY™ probe in assay buffer. Final assay conditions included 0.4 nM of Cbl-b and 150 nM of BODIPY™ probe. After a further 15 minutes of incubation at room temperature, 5 μl of Streptavidin-Terbium cryptate reagent at 5-fold final concentration was added to each well of the 384-well plate. Binding of a probe to Cbl-b results in an increase of HTRF signal. HTRF signal was measured by Envision plate reader, while competition of a compound of the present disclosure with probe results in a decrease of signal.
12553	1	TYRO3 Enzymatic Assay	Poly(Glu, Tyr) sodium salt (Glu:Tyr (4:1), quality level 200, molecular weight 5,000-20,000, obtained from Sigma Aldrich, catalogue #P7244, assay concentration 0.20 mg/mL) and recombinant human TYRO3 (obtained from ThermoFisher Scientific, catalogue #PV3828, assay concentration 2 nM) were mixed in assay buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO, with added MnCl2 at a final concentration of 2 mM). Compounds of interest (in DMSO, serial 3-fold dilution from 10 μM to 0.5 nM) or control (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition of [32P]-ATP (Specific activity 10 μCi/μl) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions.
12554	1	Polθ Polymerase Domain WT K, Assay	Assay measurements were performed with 1× buffer comprising 25 mM Tris pH 7.5, 12.5 mM NaCl, 0.5 mM NaCl, 5% (v/v) glycerol, 0.01% v/v Triton x-100, 0.1 mg/ml BSA, 1 mM DTT. Test compounds were prepared by dilution in 100% DMSO to give a 12 μM intermediate stock of each (100× final top concentration). 100 nL of 23×1:1.5-fold serial dilutions and a DMSO only control were dispensed using the Tecan dispenser into Greiner 384 well black low volume plates (product code 784076). DMSO concentration was maintained at 1% of the final assay volume by back filling with DMSO.2× Working stock of substrate (200 nM of DNA substrate and 100 μM dNTPs) and enzyme (0.312 nM Polθ) were made up in assay buffer. 5 μL/well of both enzyme and substrate 2× solutions were dispensed using a Tempest dispenser (Formulatrix) into assay plates that had been pre-dispensed with compound to give a final assay concentration of 100 nM DNA substrate, 50 μM dNTPs and 0.156 nM Polθ. To stop the reaction, 5 μL of a solution containing 25 mM Tris-HCl pH 7.5 and 20 mM EDTA was added at 6 timepoints (t=0, 15, 30, 60, 90, 120, 150, 180 mins) using the Tempest&#39;s time delay function. The plates were covered during the time course to prevent evaporation. After completing the assay, 5 μL of detection reagent (25 mM Tris-HCl pH 7.5 and 2.5% (v/v) PicoGreen) was dispensed into the wells using a Tempest liquid handler (Formulatrix) and plates subsequently read on the CLARIOstar Plus (BMG Labtech) using the default optical settings for fluorescein and the auto gain/focus settings.
12555	1	Ubiquitin-Rhodamine 110 Assay	Each assay was performed in a final volume of 8 μl in assay buffer containing 10 mM HEPES pH 7.3 ((1 M, pH 7.3 solution, (VWR J848), 100 mM NaCl (5 M, Corning 46-032-CV), 0.01% Triton X-100 (Sigma #T8787), 3.5 mM DTT (1 M, Sigma #43819) and 0.00375% BSA (10%, Calbiochem, #126609)). The assay buffer pH was adjusted to 7.5 using 1 N NaOH (JT Baker, #5000-03). Stock compounds were stored at −80° C. as a 25 mM in DMSO solution along with their respective 20 point 2 fold serial dilutions. For the dose responses, stock compound plates were allowed to come to room temperature the day of the assay. 10 nl of the serial dilution series were pre stamped into assay plates (Black, high base, medium binding, Greiner #782076) for a final top screening concentration of 125 μM (DMSO final concentration=0.5%). Enzyme (His6 USP28, BostonBiochem, #E-570) concentration and incubation times were optimized for the maximal signal to background while maintaining the initial velocity conditions at a fixed substrate concentration. The final concentration of the enzyme in the assay was 150 pM. Final substrate (Ub-Rhol10, Ubiquitin-Rhodamine 110, UBPBio, #M3020) concentration was 41 nM. 2 μl of 4× enzyme was added to assay plates (pre stamped with compound) and incubated for 2 h at room temperature. 6 μl of 4× substrate was subsequently added to the assay plates and incubated for 2 h at room temperature. Fluorescence was then read on the Envision (Excitation 485 nm and Emission at 535 nm, Perkin Elmer).
12556	1	Biological Activity Assay	The measurements are carried out according to a protocol using two preparations of liposomes:The donor liposomes (A) contain a fluorescent sterol (DHE (dehydroergosterol));The acceptor liposomes (B) contain a fluorescent lipid (dansyl PE (1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-(5-dimethylamino-1-naphthalenesulfonyl) (ammonium salt)) whose excitation spectrum covers the emission spectrum of DHE.Transport of DHE from liposomes A to liposomes B catalyzed by the ORD domain is accompanied by a FRET signal between DHE and Dansyl-PE. Based on this signal, the kinetics of transport can be measured in real time. This measurement of fluorescence is carried out on a microplate in a TECAN Infinite 1000 Pro instrument (temperature=37° C.). At the beginning, each measurement well contains liposomes B (130 μM), ORD domain (200 nM) and the test compound. At time t=5 min, liposomes A (130 μM) are added to start the exchange reaction. Each compound is tested in triplicate for final concentrations from 50 nM to 3 μM. The time constant (k) obtained for the kinetics in each case is then represented as a function of the concentration of the analog. From this representation, an inhibition constant is determined for each compound. The affinity constants Ki are classified as follows:Very strong affinity Ki<10 nMGood affinity Ki from 10 to 100 nMLow affinity Ki from 100 to 2000 nMThe compounds, other than the prodrugs, having a Ki<100 nM are regarded as active on OSBP.The lines U87-MG and A549 were obtained from the American Type Culture Collection (Rockville, MD, USA) and were cultured according to the supplier&#39;s instructions. The human glioblastoma cells U87-MG were cultured in Dulbecco minimum essential medium (DMEM) containing 10% of FCS and 1% of L-glutamine. The lung cancer cells A549 were cultured in RPMI1640 medium containing 10% of FCS and 1% of L-glutamine. The cell lines were maintained at 37° C. in a humidified atmosphere containing 5% CO2. The products were tested at 10 concentrations in triplicate and the cellular viability was evaluated after 72 h of treatment using the CellTiter Glo assay (Promega), which allows the number of live cells to be measured by luminescence (quantification of ATP).
12557	1	KLHDC2 Binding Assay	The following is a description of an assay for evaluating ligand binding to KLHDC2.Amplified Luminescence Proximity Homogenous Assay (AlphaScreen) was used to monitor protein-protein interaction of two tagged components that are immobilized on beads. One component was GST-KLHDC2 (E3) and the other one was biotinylated-SelK peptide with a length of 12 amino acids (Substrate peptide). When the two components bind, they bring the Alpha beads in close proximity to each other that results in a luminescent signal. A compound that has affinity for KLHDC2 will compete with the biotinylated-SelK peptide, preventing the beads from being in proximity to each other, therefore, reducing the luminescent signal in a dose dependent manner. The effects of DMSO on the AlphaScreen readout were tested and it was established that this organic solvent used to dissolve most of the hit compounds has detectable but marginal effects on the assay. When DMSO was kept below 5%, its effect on the AlphaScreen assay was negligible.AlphaScreen assays for determining and measuring protein-protein interactions were performed using EnSpire reader (PerkinElmer). GST-tagged KLHDC2 was attached to anti-GST AlphaScreen acceptor beads. Synthetic biotinylated 12 aa SelK degron peptide (Bio-Synthesis, Inc.) was immobilized to streptavidin-coated AlphaScreen donor beads. The donor and acceptor beads were brought into proximity by the interactions between the SelK peptide and KLHDC2. Excitation of the donor beads by a laser beam of 680 nm promotes the formation of singlet oxygen. When an acceptor bead is in close proximity, the singlet oxygen reacts with thioxene derivatives in the acceptor beads and causes the emission of 520-620 nm photons, which are detected as the binding signal. If the beads are not in close proximity to each other, the oxygen will return to its ground state and the acceptor beads will not emit light. Competition assays were performed in the presence of representative binding compounds, which were titrated at various concentrations.
12558	1	RIPK1-ADP-Glo Enzymatic Assay	In this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution: top compound concentration of 100000 nM) titration curve using the following outlined procedure. To each well of a white ProxiPlus 384 well-plate, 30 nL of compound (1% DMSO in final assay volume of 3 μL) was dispensed, followed by the addition of 2 μL of 1x assay buffer (25 mM Hepes 7.3, 20 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.005% Tween20, and 0.02% BSA) containing 37.5 nM of GST-RIPK1 (recombinant GST-RIPK1 kinase domain (residues 1-327) enzyme produced from baculovirus-transfected Sf21 cells: MW=62 kDa). Plates were placed in an ambient temperature humidified chamber for a 30 minutes pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 1 μL 1× assay buffer containing 900 μM ATP and 3 μM dephosphorylated-MBP substrate. The final reaction in each well of 3 μL consists of 25 nM of GST-RIPK1, 300 M ATP, and 3 μM dephosphorylated-MBP. Kinase reactions were allowed to proceed for 150 minutes prior to adding ADP-Glo reagents per Promega&#39;s outlined kit protocol. Dose-response curves were generated by plotting percent effect (% product conversion: Y-axis) vs. Logio compound concentrations (X-axis).
12559	1	LOX Inhibition Assay	Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen and lysine residues in elastin to produce peptidyl alpha-aminoadipic-delta-semialdehydes. This catalytic reaction can be irreversibly inhibited by β-aminopropionitrile (BAPN) that binds to the active site of LOX (Tang S. S., Trackman P C and Kagan H. M., Reaction of aortic lysyl oxidase with beta-aminoproprionitrile. J Biol Chem 1983; 258: 4331-4338). There are five LOX family members; these are LOX, LOXL1, LOXL2, LOXL3 and LOXL4. LOX and LOXL family members can be acquired as recombinant active proteins from commercial sources, or extracted from animal tissues like bovine aorta, tendons, pig skin; or prepared from cell cultures. The inhibitory effects of the compounds of the present invention were tested against the given LOX-LOXL preparation using a method based on the detection of hydrogen peroxide with an Amplex Red oxidation assay (Zhou et al. A stable nonfluorescent derivative of resorufin for the fluorometric determination of trace hydrogen peroxide: applications in detecting the activity of phagocyte NADPH oxidase and other oxidases. Anal. Biochem. 1997; 253, 162-168). The assay was developed using either 384 or 96 well format. Briefly, in a standard black, clear bottom 384 well plate assay 25 μL of a dilution of any of the isoenzymes and orthologues in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were added into each well in the presence of 1 μM mofegiline and 0.5 mM pargyline (to inhibit SSAO and MAO-B and MAO-A, respectively; not necessary if the enzyme is from a recombinant or purified form). Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 11 data points, typically in the micromolar or nanomolar range after incubation with the enzyme for 30 min at 37° C. Twenty five μL of a reaction mixture containing twice the KM concentration of putrescine (Sigma Aldrich, e.g. 20 mM for LOX, or 10 mM for LOXL2 and LOXL3), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 1.2 M urea, 50 mM sodium borate buffer (pH 8.2) were then added to the corresponding wells. The above volumes were doubled in the case of 96 wells plate. The fluorescence (RFU) was read every 2.5 min for 30 min at a range of temperatures from 37° C., excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics).
12559	3	SSAO/VAP-1 Amine Oxidase Activity Assay	Briefly, a cloned cDNA template corresponding to residues 34-763 of human SSAO/VAP-1, and incorporating a mouse Ig kappa (κ) signal sequence, N-terminal flag epitope tag and tobacco etch virus (TEV) cleavage site, was assembled in a mammalian expression vector (pLO-CMV) by Geneart AG. This vector containing human SSAO/VAP-1 residues was transfected into CHO-Kl glycosylation mutant cell line, Lec 8. A clone stably expressing human SSAO/VAP-1 was isolated and cultured in large scale. Active human SSAO/VAP-1 was purified and recovered using immunoaffinity chromatography. This was used as the source for SSAO/VAP-1 activity. A high-throughput colorimetric assay was developed using either 96 or 384 well format. Briefly, in a standard 96 well plate assay 50 μL of purified human SSAO/VAP-1 (0.25 μg/mL) in 0.1 M sodium phosphate buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-11 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37° C. After 30 min incubation, 50 μL of the reaction mixture containing 600 μM benzylamine (Sigma Aldrich), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M sodium phosphate buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37° C. excitation 565 nm and emission 590 (Optima; BMG labtech).
12559	4	MAO-B Activities In Vitro Assay	The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for human SSAO/VAP-1 (Example 28) except, the substrate benzylamine was used at 100 uM.
12560	1	AOC3 Biochemical Assay	For the determination of AOC3 activity or compound inhibition potency, the compound inhibitors are dissolved in DMSO and adjusted to the respective assay concentration with reaction buffer (50 mM HEPES, 5 mM KCl, 2 mM CaCl2, 1.4 mM MgCl2, 120 mM NaCl, 0.001% (v/v) Tween 20, 100 μM TCEP, pH 7.4). An aliquot of 3 μL of the compound dilution is added to a 384 well plate (Optiplate, PS, flat bottom, white, PERKIN ELMER, #6007290) with a final DMSO concentration of 6.6%. Recombinant CHO cells, overexpressing the human (1500 cells/well), mouse (1000 cells/well) or rat (500 cells/well) AOC3 enzyme are diluted in reaction buffer and added in a volume of 15 μL to the wells. After incubation for 20 minutes at 37° C., 2 μL of MAO substrate (dissolved in DMSO at 16 mM, adjusted to assay concentration in reaction buffer to a final assay concentration of 20 μM) is added and further incubated for 60 minutes at 37° C. The turnover of the substrate is determined by the addition of 20 μL of the detection-mix which was generated by the addition of reconstitution buffer with esterase (PROMEGA, #V1402) to the luciferine detection reagent (PROMEGA, #V1402). After an incubation period of 20 minutes, the luminescent signal is measured with Envision 2104 Multilabel Reader (PERKIN ELMER).
12560	2	AOC2 Biochemical Assay	An AOC2 enzyme containing cell homogenate is generated by transient transfection of 6×106 HEK293 cells per flask (T75) with 9 μg pCMV-SPORT6-AOC2 (BC142641rc, #pCS6(BC142641)-seq-TCHS1003-GVO-TRI, BioCat) in 750 μL of EMEM culture medium (#BE12-611F, Lonza) and 33,75 μl Attractene (#301005, Qiagen). Cells are cultured for 3 days in EMEM culture medium containing 10% FCS (#04-00-1A, Biological Industries). After washing twice with ice cold PBS, cells are lysed by mechanic homogenation and cleared supernatants are shock frozen in liquid nitrogen and stored at −80° C.For the determination of AOC2 enzymatic activity cell lysates are thawed on ice and 1:1 diluted with reaction buffer. An Aliquot of 45 μL is added to the compound dilution and incubated for 30 min at 37° C. The enzymatic reaction is started with the addition of 50 μL of Amplex® Red reaction mix (final assay concentration: 100 mM sodiumphosphate, 120 μM Amplex® Red reagent (#A22177 Molecular Probes), 1.5 U/mL Horseradish Peroxidase (#P8375 Sigma-Aldrich), 2 mM phenylethylamine (#P6513-25G Sigma-Aldrich), 0.05% Pluronic F-127 (#P3000MP Sigma-Aldrich), pH 7.4, 37° C.).
12560	3	AOC1 Biochemical Assay	For the determination of AOC1 activity or compound AOC1 inhibition potency, the compound inhibitors are dissolved in DMSO and adjusted to the respective assay concentration with reaction buffer (100 mM sodiumphosphate, 0.05% Pluronic F-127 (#P3000MP Sigma-Aldrich), pH 7.4). An aliquot of 3 μL of the compound dilution is added to a 384 well plate (Optiplate, PS, flat bottom F, black, PERKIN ELMER, #6007270) in a DMSO concentration of 6.6%.An AOC1 enzyme aliquot (#8297-AO-010, R&D Systems) is thawed on ice, diluted in reaction buffer and added in a volume of 7 μL to the wells to give a final assay concentration of 1 ng/well. After incubation of inhibitor and enzyme for 30 minutes at 37° C., the enzymatic reaction is started with the addition of 10 μL of Amplex® Red reaction mix (final assay concentration: 100 mM sodiumphosphate, 120 μM Amplex® Red reagent (#A22177 Molecular Probes), 1.5 U/mL Horseradish Peroxidase (#P8375 Sigma-Aldrich), 200 μM putrescine (#P7505 Sigma-Alrdich), 0.05% Pluronic F-127 (#P3000MP Sigma-Aldrich), pH 7.4, 37° C.).After an incubation for 30 minutes at 37° C. the turnover of the substrate is determined directly (or after the addition of an excess of an amine-oxidase inhibitor) with a fluorescence reader (Ex 540 nm/Em 590 nm) like Envision 2104 Multilabel Reader (PERKIN ELMER).
12561	1	TBD	TBD
12562	1	ADP-Glo Kinase assay	An inhibitory effect of the inventive compound on JAK was identified as follows.A control material and a test material were prepared through dilution at each concentration by using DMSO. At the same time, ATP (250 uM) and JAK&#39;s substrate (JAK1, IRS-1tide 40 ng/mL) were prepared through dilution in kinase buffer (40 mM Tris-HCl pH 7.5, 20 mM MgCl2, 0.5 mg/mL BSA, 50 uM DTT).A test drug for each concentration, the substrate, the ATP and JAK enzymes were mixed in an eppendorf tube, and then subjected to reaction in an incubator at 30° C. for 40 minutes.ADP-GloFigure US12180185-20241231-P00001 reagent included in ADP-Glo™ Kinase Enzyme System (Promega, USA, V9571) was added to each eppendorf tube, and then subjected to reaction in the incubator at 30° C. for 40 minutes.A kinase detection reagent included in the ADP-Glo™ Kinase Enzyme System was inserted into the eppendorf tube, after which luminescence was measured by using Wallac Victor 2TM with an integration time set to 1 second, such that an inhibitory capacity of the test material on JAKs phosphorylation was analyzed. A concentration of the compound, at which JAK enzyme activity inhibition occurs 50% compared to the control group, was determined as IC50 (nM) of an inhibitor.
12563	1	Radioligand Binding Assay	The affinity of the compounds of the invention for cannabinoid CB1 receptors was determined using recommended amounts of membrane preparations (PerkinElmer) of human embryonic kidney (HEK) cells expressing the human CNR1 or CNR2 receptors in conjunction with 1.5 or 2.6 nM [3H]-CP-55,940 (Perkin Elmer) as radioligand, respectively. Binding was performed in binding buffer (50 mM Tris, 5 mM MgCl2, 2.5 mM EDTA, and 0.5% (wt/vol) fatty acid free BSA, pH 7.4 for CB1 receptor and 50 mM Tris, 5 mM MgCl2, 2.5 mM EGTA, and 0.1% (wt/vol) fatty acid free BSA, pH 7.4 for CB2 receptor) in a total volume of 0.2 ml for 1 h at 30° C. shaking. The reaction was terminated by rapid filtration through microfiltration plates coated with 0.5% polyethylenimine (UniFilter GF/B filter plate; Packard). Bound radioactivity was analyzed for Ki using nonlinear regression analysis (Activity Base, ID Business Solution, Limited), with the Kd values for [3H]CP55,940 determined from saturation experiments. The compounds of formula (I) show an excellent affinity for the CB2 receptor.
12564	1	Enzyme Assay	he potency of compounds inhibiting human isoforms of FGFR kinase was determined using Life Technologies&#39; Homogeneous Time Resolved Fluorescence (HTRF)-based binding assay technology. An incubation was conducted with either 5 nM dephosphorylated FGFR1 (Array Biopharma, p1702; SEQ ID NO: 1, amino acids 458 to 765, dephosphorylated by co-expression with PTP1b (protein tyrosine phosphatase 1B)), 5 nM dephosphorylated FGFR2 (Life Technologies, Cat. No. PV4106 that had been dephosphorylated with Lambda protein phosphatase (New England Biolabs, cat #P0753)) or 5 nM phosphorylated FGFR3 (Array Biopharma, p1836; SEQ ID NO: 5, amino acids 449 to 759), 50 nM Kinase Tracer 236 (Life Technologies Cat. No. PR9078A), 2 nM Biotin-anti-6HIS (Life Technologies Cat. No. PV6090) and 2 nM Europium-Streptavidin (Life Technologies Cat. No. PV6025) along with test compound in a buffer consisting of 50 mM HEPES ((4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.5), 5 mM MgCl2, 0.005% Triton X-100, 1 mM DTT, 1 mM NaVO4 and 2% DMSO in a final volume of 12 μL. Compounds were typically prepared as a 3-fold or 4-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60 minute incubation at 22° C., the extent of tracer displacement was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compound, and 0 POC was determined in the presence of 1 μM of an appropriate control inhibitor. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
12564	2	FGFR1 Enzyme Activity Assay	FGFR1 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by Time-resolved fluorescence energy transfer (TR-FRET) using a fluorescently-labeled peptide and Europium-labeled antibody. Briefly, 200 μM His-tagged recombinant human FGFR1 catalytic domain (amino acids 308-731) (Life Technologies Cat. No. PR4660A) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 151.1M ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 20 minutes incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA was added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
12564	3	FGFR2 Enzyme Activity Assay	FGFR2 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by TR-FRET using a fluorescently-labeled peptide and Europium-labeled antibody. Briefly, 200 μM His-tagged recombinant human FGFR2 cytoplasmic domain (amino acids 403-822) (Life Technologies Cat. No. PR5332A) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 15 μM ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 20 minute incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
12564	4	FGFR3 Enzyme Activity Assay	FGFR3 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by TR-FRET using a fluorescently-labeled peptide and Europium-labeled antibody. Briefly, 750 μM N-terminal GST-HIS6 fusion protein with a 3C cleavage site recombinant human FGFR3 (amino acids R397-T806) (ProQinase Cat. No. 1068-0000-1) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 25 μM ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 10 minute incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
12565	1	Evaluation of binding activity for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor	Binding inhibition rate for 5-HT1A receptor (%)=100−100×{(Binding amount of [3H]8-OH-DPAT in the presence of test compound)}−(Binding amount of [3H]8-OH-DPAT in the presence of 10 μmol/L 8-OH-DPAT) }/{(Binding amount of [3H]8-OH-DPAT in the absence of test compound)}−(Binding amount of [3H]8-OH-DPAT in the presence of 10 μmol/L 8-OH-DPAT)}Binding inhibition rate for 5-HT2A receptor (%)=100−100×{(Binding amount of [3H]Ketanserin in the presence of test compound)}−(Binding amount of [3H]Ketanserin in the presence of 10 μmol/L Mianserin)}/{(Binding amount of [3H]Ketanserin in the absence of test compound)}−(Binding amount of [3H]Ketanserin in the presence of 10 μmol/L Mianserin)}Binding inhibition rate for D2 receptor (%)=100−100×{(Binding amount of [3H]Spiperone in the presence of test compound)}−(Binding amount of [3H]Spiperone in the presence of 10 μmol/L Spiperone)}/{(Binding amount of [3H]Spiperone in the absence of test compound)}−(Binding amount of [3H]Spiperone in the presence of 10 μmol/L Spiperone)}
12566	1	RIPK1-ADP-Glo Enzymatic Assay	In this assay, the potency (EC50) of each compound was determined from a ten-point (1:3 serial dilution; top compound concentration of 100000 nM) titration curve using the following outlined procedure. The assay bottom or lower limit of confidence is ˜25 nM. To each well of a white ProxiPlus 384 well-plate, 30 nL of compound (1% DMSO in final assay volume of 3 μL) was dispensed, followed by the addition of 2 μL of 1×assay buffer (25 mM Hepes 7.3, 20 mM MgCl2, 50 mM NaCl, 1 mM DTT, 0.005% Tween20, and 0.02% BSA) containing 37.5 nM of GST-RIPK1 (recombinant GST-RIPK1 kinase domain (residues 1-327) enzyme produced from baculovirus-transfected Sf21 cells: MW=62 kDa). Plates were placed in an ambient temperature humidified chamber for a 30-minute pre-incubation with compound. Subsequently, each reaction was initiated by the addition of 1 μL 1×assay buffer containing 900 μM ATP and 3 μM dephosphorylated-MBP substrate. The final reaction in each well of 3 μL consists of 25 nM of GST-RIPK1, 300 μM ATP, and 3 μM dephosphorylated-MBP. Kinase reactions were allowed to proceed for 150 minutes prior to adding ADP-Glo reagents per Promega&#39;s outlined kit protocol. Dose-response curves were generated by plotting percent effect (% product conversion; Y-axis) vs. Log10 compound concentrations (X-axis). 
12567	1	PRMT5 Biochemical Assay	The assay was carried out in 384-well low volume black plates in a reaction mixture containing 10 nM PRMT5/MEP50 complex, biotinylated histone H4 peptide, 3 μM S-adenosylmethionine and 0-10 μM compound in buffer containing 50 mM Tris-HCl buffer (pH 8.5), 0.005% BSA, 1 mM TCEP and 0.002% Tween-20. The PRMT5/MEP50 enzyme was incubated with compounds disclosed herein and biotinylated histone H4 peptide for 20 minutes at room temperature. The reaction was initiated by addition of S-adenosylmethionine. After reacting at room temperature for 120 minutes, the detection solution containing Eu-labeled antibody and dye-labeled acceptor in detection buffer was added to the reaction mixture. Plates were sealed and incubated at room temperature for 60 minutes, and the TR-FRET signals (excitation 337 nm, emission 665/620 nm) were recorded on a PHERAstar FSX plate reader (BMG Labtech). The inhibition percentage of PRMT5/MEP50 activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm. The concentration of MTA is 800nM.
12567	2	PRMT5 Biochemical Assay (No MTA)	MTA is excluded.
12568	1	In Vitro Binding Screening Assay	Equipment: MicroBeta2 LumiJET system, PerkinElmer. Method: Chem-1 cell membranes stably expressing human GnRHR were resuspended in HEPES at pH 7.4. 6 μg of human GnRHR cell membranes were added to each well and incubated with 0.05 nM [125I]-[D-Trp6]-LH-RH and each of the test compounds at 25° C. for 60 min. The compounds were each dissolved in DMSO, with test concentrations being 500 nM, 62.5 nM, 7.81 nM, 0.97 nM, 0.12 nM, 15 pM, and 1.9 pM. 1 pM [D-Trp6]-LH-RH was used in the non-specific binding assay. Cell membranes were collected by filtration under vacuum and washed before liquid scintillation. The binding IC50 and IC90 of the compounds were calculated using Prism.
12569	1	Binding Assay	Binding to the CB1R was assessed in a competition displacement assays using [3H]CP-55,940 as the radioligand and crude membranes from mouse brain for the CB1R, as reported previously. Membranes from cells expressing human CB2R were purchased from Charles River, (Cat #A308; Ohio, US). Solutions of test compounds ranging from 0.1 nM to 10 mM were prepared in DMSO. The desired amount of membrane preparation was diluted with ice-cold assay buffer (50 mM Tris-HCl, 2.5 mM EDTA, 5 mM MgCl2, 0.1% BSA, pH 7.4) and was vortexed. 100 μL of compound was distributed into each tube, followed by addition of 800 μL of diluted membranes (1 μg/tube) and kept on ice until the addition of [3H]CP-55,940. [3H]CP-55,940 was diluted with cold (unlabeled) assay buffer and 100 μL was added into each tube. The assays were incubated for 90 minutes at 30° C. and then immediately filtered on WHATMAN GF/B FilterPaper (Fired) using a Brandel M-24R Harvester followed by six washes with ice cold wash buffer (50 mM Tris-HCl, 2.5 mM EDTA, 5 mM MgCl2, 0.1% BSA, pH 7.4). Radioactivity was detected by adding the FilterPaper directly to the ULTIMA GOLD scintillation cocktail (PerkinElmer), incubation at 20° C. for 60 min and then counted using a Tri-Carb 4910TR liquid scintillation counter.
12570	1	SyncroPatch 384 (Nanion) High Throughput Electrophysiology Assay	Solutions were of the following composition:Earle&#39;s balanced salt solution (in mM): 135 NaCl, 5.4 KCl, 5 Glucose, 2 CaCl2), 1 MgCl2, 5 HEPES, pH 7.4. Seal enhancer solution (in mM): 90 NaCl, 3 KCl, 35 CaCl2), 10 MgCl2, 10 HEPES, pH 7.4. Extracellular recording solution (in mM): 71 NaCl, 70 NMDG, 13 KCl, 5 Glucose, 2 CaCl2), 1 MgCl2, 10 HEPES, pH 7.4. Intracellular recording solution (in mM): 130 KF, 20 KCl, 4 EGTA, 10 HEPES, 2 EDTA, 0.01 Escin, pH 7.2.
12571	1	RNR Enzyme Activity Assay	A rapid-fire mass spectrometry (RF/MS) assay was used to assess RNR enzyme activity using a 384 well plate and a robotic platform.[0402]The plate layout included two validated reference compounds (Triapine (3-AP) and Hydroxyurea (HU)):A dose response in duplicate; top concentration: 5 μM (3-AP) and 250 μM (HU), semi-logdilutions.Spike wells in triplicate randomly spotted at four concentrations:250 μM, 100 μM, 30 μM and 2 μM for HU5 μM, 2 μM, 0.6 μM and 0.04 μM for 3-APFirst, the multidrop pipes were saturated for 30 minutes with enzymatic solution. Then 30 μL of Stop solution was distributed in column 24. Next, 15 μL of enzyme was distributed in column 1 to 24. Next, a pre-incubation step of 15 minutes at room temperature occurred, followed by distribution of 15 μL of substrate solution (column 1 to 24). Next, the plate was incubated for 45 minutes at 37° C. 30 μL of Stop solution was distributed to columns 1 to 23.The final parameters for the enzyme reactions were:Incubation: 37° C., 45 min[CDP]: 5 μM; [ATP]: 1 mM; [NADPH]: No[RNR]final: 50 nM with 1:1 (RNR1:RNR2) ratioFinal volume: 30 μLStop solution: 6% HCOOH containing 2 μM of 15
12572	1	Binding of Inhibitors to IAP Protein	The binding affinity of the compounds provided by the present invention to IAP proteins was determined using a fluorescence polarization method (Nikolovska-Colesak et al, Anal. Biochem. 2004, 332:261-73). The recombinant BIR3 domains of human XIAP (residues 238-358), human cIAP1 (residues 255-364) and human cIAP2 (residues 236-342) fusing GST-tags were expressed in E. coli and purified using glutathione agarose 4B affinity chromatography and gel filtration chromatography. A 5-Fam fluorescently modified peptide probe (AbuRPFK(5-Fam)-NH2) was used to test the competitive binding ability of the compounds to the BIR3 domains of XIAP, cIAP1 and cIAP2. The peptide probe (5 nM), XIAP BIR3 (30 nM) or cIAP1 BIR3 (5 nM) or cIAP2 BIR3 (10 nM), and serial diluted compounds were mixed in a test buffer (100 mM potassium phosphate pH 7.5, 100 μg/ml bovine gamma globulin, 0.02% sodium azide, and 1 mM DTT). After incubating the samples at room temperature for 1 hour, the fluorescence polarization values were read using a Tecan microplate reader (FP excitation wavelength 485 nm, absorption wavelength 530 nm). 
12573	1	Enzyme Kinetics of SARS-CoV-2 3CLP	A synthesized fluorescent substrate containing the cleavage site (indicated by the arrow, ↓) of SARS-CoV-2 3CLP (2-Abz-SVTLQ↓SG-Tyr(NO2)—R—NH2) was used for the fluorescence resonance energy transfer (FRET)-based cleavage assay4. The protease reaction of SARS-CoV-2 3CLP towards fluorescent substrate was performed in activity buffer (20 mM Bis Tris, pH 7.8, 1 mM DTT) at 37° C. for 10 min. The final concentration of protease used in the assay was fixed at 80 nM and the concentrations of the substrate were varied from 0.1 to 500 μM. Reaction was started with the enzyme and the fluorescence signal of the Abz-SVTLQ peptide cleavage product was monitored at an emission wavelength of 420 nm with excitation at 320 nm, using an Flx800 fluorescence spectrophotometer (BioTek). Before kinetic calculations, it was verified that the proportionality between the fluorescence emitted and the amount of the substrate used in the assay was linear. The minimal concentration of the enzyme and time of reaction that gave a linear dependence of amount of generated product with time was chosen. Initial velocities in corresponding relative fluorescence units per unit of time (ARFU/s) were converted to the amount of the cleaved substrate per unit of time (M/s) by fitting to the calibration curve of free Aminobenzoyl-SVTLQ. All data are corrected for inner filter effects by an adopted literature protocol. In short, the fluorescence signal (RFU) at each substrate concentration was determined and defined as f(FRET).
12575	1	Cbl-b and C-Cbl LCK Ub TR-FRET Assay	Table 3: Compounds were 3-fold serially diluted in DMSO in a 384-well polypropylene plate (#P-05525-BC; Labcyte) to generate a source plate with 10 concentrations of each compound, top concentration=2 mM. 80 nL of DMSO or compounds were transferred to each well of a black 384-well ProxiPlate (#6008260; PerkinElmer) using a Labcyte Echo. 1× assay buffer (50 mM HEPES pH7.0, 100 mM NaCl, 0.01% BSA, 0.01% Triton-X100, 1 mM DTT), 2× enzyme solution (16 nM Biotin-Cbl-b or 12 nM Biotin-c-Cbl in 1× assay buffer), 2× kinase mixture (120 nM His-LCK, 1 mM ATP, 10 mM MgCl2 in assay buffer) and 2.33× detection mixture (4.66× solution 1: 163 nM Anti-HA-D2 antibody (#610HADAB; PerkinElmer), 27.96 nM Streptavidin-EU (#AD0062; PerkinElmer), 1.398 mM EDTA in 1× assay buffer+4.66× solution 2: 2.796 μM UBE2D2/Methylated-HA-Ubiquitin thioester adduct (BostonBiochem) in 1× assay buffer) were prepared. 4 μL of 2× enzyme solution was added to each well containing compound, briefly centrifuged to mix, and incubated for 60 min at room temperature. 4 μL of 2× kinase mixture was added, briefly centrifuged to mix, and incubated for 90 min. at room temperature. 6 μL of detection mixture was added to all wells and briefly centrifuged before incubating for 20 min at room temperature. Plates were read for TR-FRET using an Envision at excitation 340 nm, emission at 615 and 665 nm, 4 flashes per well. IC50 was generated using no LCK as the low control and DMSO as the high control.
12575	2	Multi-Point Chaser SPR Assay Variation	Table 4: Chaser assay utilize a single cycle kinetics SPR experiment with a contact time of 120 seconds, a flow rate of 50 μl/min and a dissociation time of 450 seconds. Single cycle kinetics titration utilized an initial blank injection and 5 concentrations with 2 fold serial dilution with a maximum concentration of 500 nM, blanked to a preceding 6 point blank single cycle kinetics injection for double referencing.In the case of potent compounds, the protein-compound half-life cannot be accurately measured using routine fitting of the single cycle titration data. The kd is measured independently by determining the percentage unoccupied compound binding site over time by measuring the binding of a chaser compound measured by SPR.Chaser binding was measured by a multicycle kinetics SPR experiment using a contact time of 20 seconds, a flow rate of 30 μl/min, and a dissociation time of 120 seconds. 7 injections of a single chaser concentration of 15 μM with a preceding blank injection, were recorded spaced out between 674 and 30,263 seconds after the last single cycle kinetics titration injection. The % compound bound at a given time was determined by comparison to a single injection of chaser preceding the single cycle kinetics titration defined below.% Compound Bound=(1−(RUT/RUT0))*100
12576	1	PD-1/PD-L1 Binding Assay (Alphascreen) 	The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in DMSO and then added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1%. Add 100 nL/well of compound to the 384 reaction plate (6008280, PerkinElmer) with Echo and centrifuge at 1000 rpm for 1 minute. Add 5 μL/well 4×PD-L1 solutions to the 384 reaction plate, centrifuge at 1000 rpm for 1 minute, and add 5 μL/well 4×PD-1 solutions, centrifuge at 1000 rpm for 1 minute, and incubate at 25° C. for 15 minutes. The concentrations of the compounds were 300, 100, 33.33, 11.11, 3.70, 1.23, 0.41, 0.137, 0.046, 0.015, 0 nM, respectively. Add 10 μL/well 2× Anti-6×His AlphaLISA Acceptor beads and Streptavidin Donor beads solution (PerkinElmer-AL356F) to the above 384 reaction plate, centrifuge at 1000 rpm for 1 minute, and incubate at 25° C. in the dark for 120 minutes. Read the AlphaLISA signal value using the Envision Reader. IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 8.0 software.
12577	1	CMP Assay	The assay detects the product (free CoA) which is produced from palmitoyl-CoA as a method to detect the enzymatic activity. Test compounds that inhibit TEAD activity are therefore able to block the CMP fluorescent signal.TEAD2/4 protein (10 μL of a 50 ng/μL solution) and a solution the test compound (0.5 μL, variable concentration) were pre-incubated for 30 min at r.t. A mixture prepared from MES pH 6.4 buffer (6.5 μL of a 50 mM solution), EDTA (1 μL of a 20 mM solution), palmitoyl-CoA (1 μL of a 20 μM solution), and 7-diethylamino-3-(4′-maleimidylphenyl)-4-methylcoumarin (1 μL of a 10 μM solution) was added and the resulting mixture was mixed well using a pipette. The solution was then incubated at r.t. for 30-120 min. in the dark, and fluorescence was detected at 350 nm every 30 min. until the fluorescence signal is saturated. An IC50 for the ability of the compound to inhibit fluorescence is calculated from the results.
12578	1	In Vitro Binding Affinity Assay Using hMC4R	Compounds were solubilized in 100% dimethyl sulfoxide (DMSO) to a concentration of 30 mM. A 10-point intermediate dilution series using half log dilutions was created in 100% DMSO with a top concentration of 0.03 mM. The serially diluted compounds were spotted as 1 μL/well, in 96-well Costar 3363 plates. The final compound range in the assay was 300 nM to 0.01 nM with a final DMSO concentration of 1%. Control wells, containing 1 μL of 2 mM (2 μM final) alpha-melanocyte stimulating hormone (α-MSH-Tocris #2584) was added to the non-specific binding wells and 1 μL 100% DMSO for the total binding control wells. This was followed by the addition of 80 μL of assay buffer [25 mM HEPES, 5 mM MgCl2, 2.5 mM CaCl2, 150 mM NaCl, Complete EDTA-free Protease Inhibitor Tablet (Thermo Scientific #11873580001) and 0.25% BSA]. 10 μL of [125I]-(Nle4, D-Phe7)-α-MSH (PerkinElmer #NEX3520) was added to all wells at 10-fold the final concentration of 0.5 nM. The radioligand concentration used was below the equilibrium dissociation constant (Kd) of 2.59 nM. The exact concentration of radioligand used for each experiment was determined by liquid scintillation counting and adjusted if necessary.
12579	1	IMAP-FP Assay	The inhibitory activity of the representative compounds according to the present invention against phosphodiesterase 9A was tested based on the polarization assay (IMAP-FP screening express kit) provided by MDS (MDS Analytical Technologies, Sunyvale, CA, USA). As a buffer solution, a reaction solution (a reaction solution containing 0.01% Tween 20 provided by MDS was diluted 5 times, then 5 mM DTT is added) and a polarization detection solution (binding solution A and B provided by MDS were mixed at a ratio of 3:1 and IMAP binding reagent 1/600 was added) were prepared. 100 μM of the substrate (Fl-cGMP substrate; MDS) and 3.6 μg/ml of the enzyme PDE9A (ab54113; abeam) were prepared. 3.6 μg/ml PDE9A and 100 μM substrate were diluted to 20 ng/ml (final reaction concentration: 5 ng/ml) and 400 nM (final reaction concentration: 100 nM), respectively. The buffer solution used for all dilution and preparation processes was 1× reaction solution with 1 mM DTT added, and the polarization detection solution was used to induce polarization at the end.
12580	1	DNA-PK Enzyme-Linked Immunosorbent Assay	On day one, coat 96-well plate (ThermoFisher. Cat #: 442404) with GST-p53 (1-101) peptide (purified by Pharmaron, BCS department) by diluting 3 μg of GST-p53 each well with 0.1 M Na2CO3/NaHCO3, pH 9.6. Incubate the plate overnight at 4° C. The second day, remove coating buffer, wash 2× with PBST (1×PBS containing 0.1% Tween-20). Then add DNA-PK enzyme solution (Invitrogen, #PR9107A; the final DNA-PK concentration is 0.1 μg/mL), series dilution compounds (the final top concentration is 100 nM, 3 fold series dilution, with total 10 doses) and ATP solution (the final ATP concentration is 20 μM) to the 96-well plate. Incubate the plate at 25° C. for 1 hour. Then wash 3× with PBST (1×PBS containing 0.1% Tween-20). Block the plate with PBST+ 1% BSA at 4° C. overnight. The third day, wash 4× with PBST (1×PBS containing 0.1% Tween-20). Then add Phospho-p53 primary antibody (cell signaling Technology, #9286, Phospho-p53 (Ser15) (16G8) Mouse mAb) (1/1000) to each well. Seal with plate and incubate the plate for 1 h at 37° C. Wash 4× with PBST (1×PBS containing 0.1% Tween-20), add 100 μL of HRP-linked secondary antibody (Cell signaling Technology, #7076, Anti-mouse IgG, HRP-linked Antibody) (1/1000) to each well. Seal with tape and incubate the plate for 30 min at 37° C. Wash 4× with PBST (1×PBS containing 0.1% Tween-20), add 100 μL of TMB (Cell signaling Technology, #7004) substrate to each well. Seal with tape and incubate the plate for 10 min at 37° C. Then add 100 μL of Stop solution (Cell signaling Technology, #7002) to each well. Read the plate at 450 nm to detect absorption.
12581	1	ACLY Enzyme Activity Assay	Experimental method: ADP Glo luminescence method was used for determination. It reflects the activity of ACLY enzyme by quantitatively detecting the amount of ADP, and the enzymatic reaction catalyzed by ACLY is proportional to the amount of ADP detected by the luminescent signal. Firstly, the compound is diluted with 10% DMSO, and then 11 of compound dilution is added to a 5 μl reaction system, so that the final reaction system has a DMSO content of 2%. The enzymatic reaction catalyzed by ACLY was carried out at 37° C. for 30 minutes. 5 μl reaction mixture contained the following components: 40 mM Tris, pH 8.0, 10 mM MgCl2, 5 mM DTT, ATP, CoA, sodium citrate, and ACLY. After the enzymatic reaction was complete, 2.5 μl of ADP Glo reagent was added to each reaction system and incubated at room temperature for 1 hour. Afterwards, 5 μl of kinase detection reagent was added and incubated at room temperature for 30 minutes. The luminous signal was detected using Envision (PerkinElmer, USA).
12582	1	Inhibitory Concentration (IC50) to UDP-2,3-diacylglucosamine hydrolase (LpxH)	The inhibitory potency of molecules to UDP-2,3-diacylglucosamine hydrolase (LpxH) was determined using the UMP/CMP-Glo™ Glycosyltransferase Assay kit. LpxH hydrolyzes the pyrophosphate bond of UDP-2,3-diacylglucosamine (UDP-DAG) to yield 2,3-diacylglucosamine 1-phosphate (lipid X) and UMP. The assay kit could quantify the UMP production by convert the UMP to ATP and generate light in a luciferase reaction. The compound&#39;s effect on the LpxH activity is detected by measuring the light using a luminometer (Envision).
12583	1	In Vitro 17bHSD13 Enzyme Assay	Final assay conditions were 80 nM of 17bHSD13, 0.5 mM of NAD, 20 μM Estradiol and various concentrations of compound in buffer (5 mM EDTA (TEKNOVA E0306), 0.01% DDM (AFFYMETRIX D310) in 50 mM Tris-Cl, pH 7.4). After 2.5 h the reaction were stopped by addition of 20 μl of 0.6% Formic acid (MERCK 5.33002) and samples were analyzed using LC-MS/MS.SCIEX LC-MS/MS system: Sample was injected with CTC analytical injector, SHIMATZU LC pumps LC20 and analyzed on the SCIEX API 5000 LCMSMS system with the following settings. Samples were chromatographed on a WATERS, SYMMETRY, C8, 3.5 μm, 2.1×50 mm) column at constant flow rate of 0.5 mL/min. The mobile phases consist of A (water with 0.2% formic acid) and B (acetonitrile with 0.2% formic acid). The LC gradient profile is as follows: 50% B during 0 to 0.5 min, a linear increase to 100% B during 0.5 to 1 min, hold at 100% B during 1 to 1.6 min then back to 50% B from 1.6 to 2 min. The run time was 2 min with retention times of approximately 0.8 and 1.07 min for Estradiol and Estrone, respectively. Detection was performed on a API 5000 LC/MS/MS system with a triple quadrupole mass spectrometer, a TURBO V ion source, in multiple reaction monitoring (MRM) mode at positive polarity with APCI probe. The MRM pairs were m/z 273.1 to m/z 107.0 and m/z 271.3 to 107.0. for Estradiol and Estrone, respectively.
12583	2	In Vitro 17bHSD4 Enzyme Assay	10 concentration of compounds (0.2 μl) in DMSO was added to GREINER FLUOTRAC 200 384 well plate (781076) using ECHO dispensing (BECKMAN COULTER). 80 nl of 10 mM Estradiol (SIGMA, E8875) was added using Echo dispensing. The enzyme reaction was initiated by addition, using MULTIDROP COMBI dispensing (THERMO FISHER), of 40 μl of a mix containing recombinant 17bHSD4 (M1-N311) and NAD. Final assay conditions were 40 nM of 17bHSD4, 0.125 mM of NAD, 15 μM Estradiol and various concentrations of compound in buffer (5 mM EDTA (TEKNOVA E0306), 0.01% DDM (AFFYMETRIX D310) in 50 mM Tris-Cl, pH 7.4). After each addition plates were centrifuged for 1 min at 150×g (EPPENDORF, 5810R, A-4-81). NADH formation was measured by fluorescence intensity (FI) (Ex360/Em460) at time zero (to) and at 1.5 h (t1) in a PHERASTAR FSX (BMG LABTECH). FI for each sample was calculated as FI at t1 minus FI at t0.
12584	1	Biological Assay	Table A: Primary Assay used to determine potency of HPK1 enzymatic activity inhibition. Compound activity was determined using recombinant HPK1 protein and MBP Substrate (both Promega, Cat #V6398) in an in vitro enzymatic reaction. The enzymatic assay used to determine activity was a Luminescence assay using a Microplate Reader ClarioStar Plus. The enzymatic reaction was carried out in assay buffer (40 mM TRIS-HCl pH 7.4-7.6, 20 mM MgCl2, 0.05 mM DTT, 0.1 mg/ml BSA). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C—S) using the Biomek FX liquid handling system at 100× solutions of compounds in DMSO. 2×HPK1-MBP mix (final concentration 0.64 ng/μl of HPK1 and 45 ng/μl of MBP) was prepared in 1× Assay buffer and 5.5 μl of mixture per well was added into 384 w white Reaction plate with NBS (Corning, Cat #4513). 5.5 μl of MBP substrate w/o HPK1 in 1× buffer was used for negative control. Plates were centrifuged for 1 min at 100 g. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 1l of 100× compounds (in DMSO) were mixed thoroughly with 49 ul of 2×10 uM ATP in Assay Buffer, then 5.5 μl of this mixture was added to Reaction plate with 5.5 μl of HPK1-MBP mix. Plates were centrifuged for 1 min at 100 g and incubated for 1 hour at room temperature. Next 3 μL of ADP-Glo reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added. Plates were incubated for 30 minutes at room temperature. Then 6 μL of Kinase detection reagent (Promega, ADP-Glo™ Kinase Assay, Cat #V9102) per well was added and the Luminescence was measured using Microplate Reader.
12584	2	Biochemical Inhibition of Enzymatic Activities Assay	Table D: Corresponding biochemical inhibition of enzymatic activities of FLT3 (wt), FLT3 (D835Y), and FLT3 (ITD) were measured using recombinant protein constructs of kinase domains via activity based FLT3 kinase assay for compound screening and profiling via radiometric HotSpot™ kinase assay (Reaction Biology). Peptide substrate [EAIYAAPFAKKK]. Compounds were dissolved to 10 mM in DMSO. Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution starting at 0.3 μM. Control compound, Staurosporine, was tested in 10-dose IC50 mode with 4-fold serial dilution starting at 20 μM. Alternate control compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 20 μM. Reactions were carried out at 1 μM ATP. 
12585	1	NSD2 Inhibitory Assay	A reaction mixture was prepared by adding oligonucleosomes from Chicken (0.05 mg/ml) to freshly prepared reaction buffer containing 50 mM Tris-HCl (pH 8.5), 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, and 1% DMSO followed by the addition of recombinant human NSD2, (amino acids 2-end) with N-terminal His tag (2 nM; GenBank Accession No. NM_001042424; MW=155.5 kDa; expressed in Sf9 insect cells) and gentle mixing. The test compounds were diluted in DMSO, added to the reaction mixture in nanoliter amounts by using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) and incubated for 20 minutes at room temperature. The reaction was initiated by the addition of S-Adenosyl-L-[methyl-3H]methionine (3H-SAM; 1 μM), and the mixture was incubated for 1 hour at 30° C. The reaction mixture was delivered to filter paper and the methylated substrate was quantified by scintillation counting. Data analysis was performed using Excel and GraphPad Prism software for IC50 curve fits. For additional information on the histone methyltransferase assay.
12586	1	TDP1 Gel-based in vitro assay	Table 1 and 2: TDP1 Gel-based in vitro assay was carried out as previously described Lountos, G. T., et al. (Nucleic Acids Res. (2019) 47(19) 10134-10150.) (5′-Cy5-labeled DNA substrate (1 nM; N14Y; 5′-GATCTAAAAGACTT-pY-3′) was incubated with 10 μM recombinant TDP1 in the absence or presence of inhibitor (at concentrations ranging from 20 nM to 10 mM) for 15 min at room temperature in a buffer containing 50 mM Tris HCl, pH 7.5, 80 mM KCl, 2 mM EDTA, 1 mM DTT, 40 μg/ml BSA and 0.01% Tween-20. Reactions were terminated by addition of 1 volume of gel loading buffer [99.5% (v/v) formamide, 5 mM EDTA, 0.01% (w/v) xylene cyanol, and 0.01% (w/v) bromophenol blue]. Samples were subjected to a 16% denaturing PAGE and gels were exposed after drying to a PhosphorImager screen (GE Healthcare). Gel images were scanned using a Typhoon FLA 9500 scanner (GE Healthcare) and densitometric analyses were performed using the ImageQuant software (GE Healthcare). The IC50 of TDP1 inhibitors was calculated by comparing the percentage of cleavage product (5′Cy5-GATCTAAAAGACTT-p-3′) to DMSO control.
12586	2	Gel-based Fluorescence Assay	The oximes were evaluated by gel-based TDP1 fluorescence assay in a concentration of 100 μM in DMSO. The fluorescence of DMSO blank vial was set as 0 and the fluorescence for the reference without TDP1 was set as 100%. Preparation: A mixture of aminooxy-containing 105 or 106 (10 μL, 30 mM in DMSO), aldehydes M1-T12 (10 μL, 30 mM in DMSO) and acetic acid (10 μL, 150 mM in DMSO) were agitated at room temperature overnight. Oximes 5-M1-T12 or 6-M1-T12 (30 uL, 10 mM in DMSO) were afforded. Two sets of oximes 105-X and 106-Y (XZ700-M1-T12, XZ699-M1-T12) (20 uL, 10 mM in DMSO) were prepared about 240 each starting from aminooxy-containing 105 (XZ700) or 106 (XZ699) based on the following method. A mixture of aminooxy-containing 105 or 106 (10 μL, 30 mM in DMSO) with about 240 aldehydes M1-T12 (10 μL, 30 mM in DMSO) (Table 4) separately in the present of acetic acid (10 μL, 150 mM in DMSO) were agitated at room temperature overnight in three 96-well plates in parallel. The formed oximes 105-M1 to 105-T12 and 106-M1 to 106-T12 (30 uL, 10 mM in DMSO) were diluted to 100 μM in DMSO and evaluated by gel-based TDP1 fluorescence assay. The fluorescence of the gel band of DMSO blank vial was set as 0 and the fluorescence for the reference gel band without TDP1 was set as 100%.
12587	1	Jak1 Kinase Activity Test In Vitro	JAK1(h) was incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM MGEEPLYWSFPAKKK (SEQ ID NO: 1), 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture, and after incubation at room temperature for 40 min, the reaction was terminated by adding 0.5% phosphoric acid. Then 10 μL of the reaction product was spotted on a P30 filter pad which was washed three times with 0.425% phosphoric acid and once with methanol within 4 min, dried, and subjected to scintillation counting.
12587	2	Jak2 Kinase Activity Test In Vitro	JAK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC (SEQ ID NO: 2), 10 mM magnesium acetate, and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture, and after incubation at room temperature for 40 min, the reaction was terminated by adding 0.5% phosphoric acid. Then 10 μL of the reaction product was spotted on a P30 filter pad which was washed three times with 0.425% phosphoric acid and once with methanol within 4 min, dried, and subjected to scintillation counting.
12587	3	Jak3 Kinase Activity Test In Vitro	JAK3(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 μM GGEEEEYFELVKKKK (SEQ ID NO: 3), 10 mM magnesium acetate, and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture, and after incubation at room temperature for 40 min, the reaction was terminated by adding 0.5% phosphoric acid. Then 10 μL of the reaction product was spotted on a P30 filter pad which was washed three times with 0.425% phosphoric acid and once with methanol within 4 min, dried, and subjected to scintillation counting.
12587	4	TYK2 Kinase Activity Test In Vitro	TYK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK (SEQ ID NO: 4), 10 mM magnesium acetate, and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture, and after incubation at room temperature for 40 min, the reaction was terminated by adding 0.5% phosphoric acid. Then 10 μL of the reaction product was spotted on a P30 filter pad which was washed three times with 0.425% phosphoric acid and once with methanol within 4 min, dried, and subjected to scintillation counting.
12574	1	In vitro Kinase Assay	Lanthascreen Eu kinase binding assays were conducted for Cdk14/CycY largely as performed in the commercial assay service by Life Technologies, but included a 30 minute pre-incubation step of the kinase with candidate compounds to facilitate covalent bond formation. The results of the assays are provided in Table 1 above and Tables 2A, 2B, 2C, and 2D below, in the column “CDK14 IC50.”Lanthascreen Eu kinase binding assays were conducted for CDK16/CycY at Life Technologies. The results of the assays are provided in Table 1 above and Tables 2A, 2B, 2C, and 2D below, in the columns “CDK2 IC50” and CDK16 IC50.” Z&#39;LYTE kinase assays were conducted for CDK2/CycA at Life Technologies using Km ATP concentrations. Cdk14 33P kinase assays were performed by Reaction Biology Corp. The results of the assays are provided in Tables 2A, 2B, 2C, and 2D below, in the column “IC50 CDK14 33P kinase assay.”
12588	1	inhibition of GPR68/OGR1	Briefly, the methods were: On the day before the assay 20,000 cells per well of CHEM1-OGR1 cells were plated in 10% DMEM containing 10% FBS and 1% Pen/Strep into a 96 well plate. After 24 hours media was removed and cells were stained with 80 uL Fluo-8 calcium indicator dye according to manufacturer&#39;s protocol. After staining cells were treated with 20 uL of 4× concentration of test compounds. Using kinetic imaging in the Lionheart HCS fluorescence intensity was continuously measure at 10 frames per second, for 5 seconds before 100 μL of acidified media was added to the well resulting in a pH of 6.4. A ratio of fluorescence intensities prior to addition and at peak were calculated and averaged. The resulting data were platted and using a 4 parameter logistic regression EC50 for each test compound was determined.
12589	1	Ca2+ Fluorometry	α7 cells cells stably expressing human α7 nAchR were cultured in the medium detailed above, and were split twice a week. For the fluorometric measurements of cytosolic Ca2+ ion concentration ([Ca2+]i) cells were seeded in 96-well microplates at a density of 60000 cells/well and maintained overnight in a tissue culture incubator at 37° C. under an atmosphere of 95% air/5% CO2. The plating medium was identical with the culture medium. 50 μl of the growth medium was aspirated with a cell washer (BioTek Elx405UCVWS). Then 50 μl/well Calcium 5 kit diluted 2-fold in assay buffer was added manually using an 8-channel pipette. After an incubation period (20 minutes, 37° C.) 50 μl/well assay buffer containing vehicle (DMSO, 4% added) or reference α7 PAMs (4×of the final concentration) were added manually and the cells were incubated for an additional 10 minutes at 37° C. Baseline and agonist-evoked [Ca2+]i-changes were monitored with FlexStation II (Molecular Devices, Sunnyvale, Calif.), a plate reader fluorometer with integrated 8-channel fluid addition capability. Fluorescence measurements were carried out at 37° C. The dye was excited at 485 nm, emission was sampled at 525 nm at 1.4-s intervals. Baseline was recorded for 20 seconds followed by agonist stimulation. 50 μl 4× concentrated agonist solution was added to the cells using the pipettor of FlexStation II and fluorescence was monitored for an additional 40 seconds. Final DMSO concentration was 1% for all treatments. To achieve this, a series of DMSO stock solutions were prepared from all test compounds. These stocks were stored under 0° C. and were further diluted in assay buffer to obtain the desired final concentration immediately before the measurement. Agonist and PAM concentration-response studies were conducted in the presence of saturating concentrations of PAMs (mostly PNU-120596, 5 μM) and agonists (mostly PNU-282987, 1 μM), respectively. Results were expressed as ΔF/F values using SoftMax Pro software (Molecular Devices), where F was the resting fluorescence preceding agonist application and ΔF was the increase in fluorescence at a given time (ΔF=maximum fluorescence intensity values after stimulation minus average fluorescence intensity values before stimulation). In all experiments, all treatments were measured in multiple wells in parallel, and the mean ΔF/F values were used for analysis.
12590	1	Intracellular Ca2+ Mobilization Assay	A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive Allosteric Modulators (PAMs), a cell line with low receptor expression levels and low constitutive receptor activity was selected to allow the differentiation of agonistic versus PAM activity. Cells were cultured according to standard protocols (Freshney, 2000) in Dulbecco&#39;s Modified Eagle Medium with high glucose supplemented with 1 mM glutamine, 10% (vol/vol) heat-inactivated bovine calf serum, Penicillin/Streptomycin, 50 μg/ml hygromycin and 15 m/ml blasticidin (all cell culture reagents and antibiotics from Invitrogen, Basel, Switzerland).
12590	2	MPEP Binding Assay	For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger and Christensen [Cytotechnology 15:1-13 (1998)]. Cell membrane homogenates were stored at −80° C. until the day of assay where upon they were thawed and resuspended and polytronised in 15 mM Tris-HCl, 120 mM NaCl, 100 mM KCl, 25 mM CaCl2, 25 mM MgCl2 binding buffer at pH 7.4 to a final assay concentration of 20 μg protein/well.
12591	1	Enzymatic Assay for MASP-2	The MASP-2 assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nL of each dilution was transferred to the assay plate(s). 10 μL of Assay Buffer was added, followed by 15 μL of Enzyme (MASP-2 (CCP1-CCP2-SP) in Assay Buffer. 15 μL of Substrate in Assay Buffer was then added and mixed to start the reactions. After 20 min at room temperature, 15 μL of a stop solution (0.1 M acetic acid) was added, mixed and the plates were read on a SpectraMax i3× Microplate Reader and exported as Excel files. Each assay plate included a “no inhibitor” (DMSO Only) control, a “no enzyme” control and a reference inhibitor control. % Activity values=100*(ave. test comp. fluorescence−ave. “no enz” fluorescence)/(ave. “DMSO only” fluorescence−ave. “no enz” fluorescence). IC50 and Ki values were very reproducible, falling well within ±2-fold.
12591	2	Enzymatic Assay for Thrombin	The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50 values were equivalent to Ki values, except in a few cases of “tight binding” inhibitors. Cases of “tight binding” or possible “slow binding” inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed. John Wiley and Sons, Inc., Chapters 5-7.
12592	1	Receptor Binding Profile of Compound of Examples 1, 2 and 3	Receptor binding is determined for the Compounds of Examples 1, 2 and 3 (corresponding to Formula 1, Formula B and Formula A, respectively). The following literature procedures are used, each of which reference is incorporated herein by reference in their entireties: 5-HT2A: Bryant, H. U. et al. (1996), Life Sci., 15:1259-1268; D2: Hall, D. A. and Strange, P. G. (1997), Brit. J. Pharmacol., 121:731-736; D1: Zhou, Q. Y. et al. (1990), Nature, 347:76-80; SERT: Park, Y. M. et al. (1999), Anal. Biochem., 269:94-104; Mu opiate receptor: Wang, J. B. et al. (1994), FEBS Lett., 338:217-222.
12593	1	isothermal titration calorimetry (ITC) assay	The binding data of the ligands to the domain was determined by means of isothermal titration calorimetry (ITC).
12593	2	fluorescence titration (FT) assay	The binding data of the ligands to the domain was determined by means of fluorescence titration (FT).
12594	1	Inhibition Assay	The inhibitory activity of the representative compounds according to the present invention against phosphodiesterase 9A was tested based on the polarization assay (IMAP-FP screening express kit) provided by MDS (MDS Analytical Technologies, Sunyvale, CA, USA). As a buffer solution, a reaction solution (a reaction solution containing 0.01% Tween 20 provided by MDS was diluted 5 times, then 5 mM DTT is added) and a polarization detection solution (binding solution A and B provided by MDS were mixed at a ratio of 3:1 and IMAP binding reagent 1/600 was added) were prepared. 100 μM of the substrate (Fl-cGMP substrate; MDS) and 3.6 μg/ml of the enzyme PDE9A (ab54113; abcam) were prepared. 3.6 μg/ml PDE9A and 100 μM substrate were diluted to 20 ng/ml (final reaction concentration: 5 ng/ml) and 400 nM (final reaction concentration: 100 nM), respectively. The buffer solution used for all dilution and preparation processes was 1× reaction solution with 1 mM DTT added, and the polarization detection solution was used to induce polarization at the end.
12595	1	Cellular gamma-Secretase Assay	Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μL in 96-well plates in IMDM containing 10% FCS, 0.2 mg/L Hygromycin B and incubated at 37° C., 5% CO2.3-4 h post plating, compounds are a diluted in media and 50 μL is added as 1.5-fold concentrate to achieve the final concentration. Compound incubation is performed for 24 h. Final doses typically range from 4 μM down to 0.0013 μM in half-log steps resulting in an eight-point dose response curve.Appropriate controls using vehicle only and reference compound were applied to this assay. The final concentration of Me2SO was 0.4%.After incubation at 37° C., 5% CO2, the supernatant was subjected to quantification of secreted Aβ42 by the means of an AlphaLisa® assay kit (Human Amyloid beta 1-42 Kit, Perkin Elmer Inc.). 20 μL of the cell culture supernatant was transferred to an assay plate. Then 10 μL of a mixture of the AlphaLisa® coupled capture antibody and the biotinylated detection antibody was added and incubated for 3 h at RT while softly shaking the assay plate. After a further addition of 20 μL of the Donor beads the assay plate was incubated for 30 min at RT and constant shaking without exposure to direct light. The assay plate was then read on a Paradigm AlphaLisa® Reader using the build-in program with excitation at 680 nm and emission at 570 nm. The measured signals were then used to calculate IC50 values for inhibition of Aβ42 secretion by nonlinear regression fit analysis using XLfit 5.3 software (from IDBS Ltd).
12596	1	SOS1 Catalyzed Nucleotide Exchange Assay	HIS-KRAS (G12C, aa 2-185, Sino biological) was diluted to 5 μM in EDTA buffer (20 mM HEPES, pH 7.4, 50 mM NaCl, 10 mM EDTA, 0.01% (v/v) Tween-20) and incubated for 30 min at 25° C. The EDTA pretreated HIS-KRAS (G12C) was diluted to 12 nM in assay buffer (25 mM HEPES, pH 7.4, 120 mM NaCl, 5 mM MgCl2, 1 mM DTT, 0.01% (v/v) Tween 20, 0.1% (w/v) BSA) containing 120 nM GDP (Sigma) and MAb Anti 6HIS-Tb cryptate Gold (Cisbio) and incubated for 1 hour at 25° C. to prepare GDP-loaded HIS-KRAS (G12C). The GDP-loaded HIS-KRAS (G12C) was pre-incubation with diluted compounds in a 384-well plate (Greiner) for 1 hour, then purified SOS1 ExD (Flag tag, aa 564-1049) and BODIPY™ FL GTP (Invitrogen) were added to the assay wells (Final concentration: 3 nM HIS-KRAS (G12C), 2 μM SOS1 ExD, 80 nM BODIPY™ FL GTP, 21 ng/mL MAb Anti 6HIS-Tb cryptate Gold) and incubated for 4 hours at 25° C. TR-FRET signals were then read on Tecan Spark multimode microplate reader. The parameters were F486: Excitation 340 nm, Emission 486 nm, Lag time 100 μs, Integration time 200 μs; F515: Excitation 340 nm, Emission 515 nm, Lag time 100 μs, Integration time 200 μs. TR-FRET ratios for each individual wells were calculated by equation: TR-FRET ratio=(Signal F515/Signal F486)*10000. Then the data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12597	1	FP Assay	The inhibitory constants (Ki) of the synthesized inhibitors were first determined using a fluorescence polarization (FP)-based competition assay with the previously developed probe II138 as previously reported (Iyamu et al., Anal. Biochem. 2020, 604). Surprisingly, the replacement of the aspartic acid with an acetyl group resulted in a potent bisubstrate inhibitor II399, which displayed a comparable Ki value of 77 nM as our lead compound LL320 (FIG. 2A), whereas II542 containing ethylamine resulted in about a 20-fold reduction in inhibition.
12597	2	SAHH-coupled Assay	 As the sensitivity of the FAP assay is limited by the binding affinity of the probe for NNMT, the inhibitory concentration was further determined using an orthogonal S-adenosyl-L-homocysteine hydrolase (SAHH)-coupled fluorescence assay through monitoring the production of SAH (Ivamu et al., RSC Med Chem 12: 1254-1261 (2021); (Mondal et al., Angew Chemie Int Ed 58: 12476-12480 (2019); and Iyamu et al., Anal. Biochem. 2020, 604). The bisubstrate inhibitor II399 retained strong inhibition against NNMT with an IC50 of 49±8 nM like LL320, while II542 only exhibited an IC50 of 7.7 μM. The strong inhibition of II399 against NNMT implied that the aforementioned combinatorial changes including acetyl, 4-chloro pyrrolopyrimidine, and cyclopentane successfully secured the interaction of II399 with NNMT. To understand the contribution of the chloro group, the N6 amino analog II642was also synthesized (Scheme 1). Compound II642 displayed an IC50 of 25±7.0 nM in the SAHH-coupled assay. Comparable activities of II399 and II642 supported the feasibility of the chloro substitution for the amino group on the adenosine moiety to maintain the interaction with higher lipophilicity.
12598	1	FASN Inhibition Assay	Determination of FASN biochemical activity: The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FASN comprises about 25% of the cytosolic proteins in this cell line. SKBr3 cells were homogenized in a dounce homogenizer then centrifuged for 15 minutes at 4° C. to remove particulate matter. The supernatant was then analyzed for protein content, diluted to the appropriate concentration, and used to measure FASN activity. The presence of FASN was confirmed by western blot analysis. A similar method for isolation of FASN from SKBr3 cells is described in Teresa, P. et al. (Clin. Cancer Res. 2009; 15 (24), 7608-7615). ASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) released during the fatty acid synthase reaction. The dye CPM (7-diethylamino-3-(4′-maleimidyl-phenyl)-4-methylcoumarin) contains a thiol reactive group that increases its fluorescence emission on reaction with the sulfhydryl group of CoA. The biochemical activities shown in Tables C-1-C-3 were determined using the fluorescence measurement of CoA release via a procedure described in Chung C.C. et al. (Assay and Drug Development Technologies, 2008, 6 (3), 361-374).
12599	1	5-HT1BR cAMP Secondary Messenger Agonist Assay	The 5-HT1BR cAMP secondary messenger agonist assay used a panel of CHO-K1 cell lines stably expressing non-tagged GPCRs that endogenously signal through cAMP. Hit Hunter® cAMP assays monitored the activation of a GPCR via Gi and Gs secondary messenger signaling in a homogenous, non-imaging assay format using DiscoverX Enzyme Fragment Complementation (EFC) with β-galactosidase as the functional endpoint.
12599	2	Human Serotonin Transporter (SERT, SLC6A4) Functional Antagonist Uptake Assay	Benzofuran derivatives were evaluated for inhibiting the human 5-HT transporter (hSERT) as expressed in CHO cells using an antagonist radioligand assay (Tatsumi, M. et al. (1999), Eur. J. Pharmacol., 368: 277-283). Compound binding was calculated as a percent inhibition of the binding of 2 nM [3H]imipramine using a scintillation method and inhibition constants (Ki) were calculated using the Cheng Prusoff equation. Test compounds were assayed in three trials at 300, 94.868, 30, 9.4868, 0.3, and 0.94868 μM.[2927]All tested compounds showed inhibition of hSERT at the tested concentrations. However, in two cases (the enantiomers of 5-MBPB), the lowest concentration of 0.94868 μM was too high to accurately estimate IC50 values and Ki values. For S-(+)-5-MBPB the IC50 appeared close to 0.094868 μM, while for R-(−)-5-MBPB the IC50 appeared close to 0.94868 μM.
12600	1	Human CD38 Hydrolase Assay	The ability of test compounds to inhibit human CD38 hydrolase activity was measured in a fluorescence-based assay using non-physiological NAD+ substrate analogue 1,N6-etheno NAD+ (ε-NAD). Recombinant human CD38 (0.8 nM) was preincubated with test compounds in 384-well black microplates for 30 min at 25° C. in PBS (—Ca2+/Mg2+) containing 0.005% BSA (pH 7.4). CD38 hydrolase activity was initiated by addition of 4 μM ε-NAD, which yields the fluorescent product 1,N6-etheno ADP-ribose. Formation of fluorescent product was followed using ClarioStar Plus (BMG) microplate reader by reading fluorescence (excitation λ=300 nm; emission λ=410 nm) at two time points, one immediately after substrate addition (t=0) and one at 10 min (t=10). Data was analysed by subtracting the values detected at t=0 from t=10 to correct for variation in baseline fluorescence. Fluorescence values were converted to percent inhibition using the average of high signal (CD38 and ε-NAD) and low signal (CD38 and ε-NAD in the presence of a tool CD38 inhibitor) control wells. IC50 values were determined from a 10-point, half log concentration response curve with a four-parameter logistic equation.
12600	2	Mouse CD38 Hydrolase Assay	The ability of test compounds to inhibit mouse CD38 hydrolase activity was measured in a fluorescence-based assay using non-physiological NAD+ substrate analogue 1,N6-etheno NAD+ (ε-NAD). Recombinant mouse CD38 (0.4 nM) was preincubated with test compounds in 384-well black microplates for 30 min at 25° C. in PBS (—Ca2+/Mg2+) containing 0.005% BSA (pH 7.4). CD38 hydrolase activity was initiated by addition of 12 μM ε-NAD, which yields the fluorescent product 1,N6-etheno ADP-ribose. Formation of fluorescent product was followed using ClarioStar Plus (BMG) microplate reader by reading fluorescence (excitation λ=300 nm; emission λ=410 nm) at two time points, one immediately after substrate addition (t=0) and one at 6 min (t=6). Data was analysed by subtracting the values detected at t=0 from t=6 to correct for variation in baseline fluorescence, and fluorescence values were converted to percent inhibition using the average of high signal (CD38 and ε-NAD) and low signal (CD38 and ε-NAD in the presence of a tool CD38 inhibitor) control wells. IC50 values were determined from a 10-point, half log concentration response curve with a four-parameter logistic equation.
12602	1	Mobility Shift Assay	Compound activity was determined using in house His tagged full-length PTPN1 protein (SEQ ID NO: 3) in an in vitro enzymatic reaction. The enzymatic assay used to determine activity is a mobility shift assay using a LabChip EZ Reader by Caliper Life Sciences. The enzymatic reaction was carried out in assay buffer (50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM EDTA, 0.01% Tween 20, and 2 mM DTT). The compounds were dispensed on a white 384 well ProxiPlate™ (PerkinElmer Cat #6008289) plate using a Labcyte Echo liquid handler at varying concentrations (12 point, 1:3 dilution). The enzyme (at 0.5 nM) was incubated with compound for 10 minutes at room temperature. Thereafter, the substrate (phosphorylated insulin receptor probe sequence: ((OG488)-(NH-CH2-CH2-O-CH2-CH2-O-CH2-CO)-T-R-D-I-(PY)-E-T-D-Y-Y-R-K-K-NH2) (SEQ ID NO: 2) was added at 2 μM to the plates and incubated for another 10 minutes at room temperature. Finally, a quench solution (water and 4-bromo-3-(2-oxo-2-propoxyethoxy)-5-(3-{[1-(phenylmethanesulfonyl)piperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid) was added to the plates, which were then run on the EZ Reader (excitation 488 nm, emission 530 nm) to measure % conversion (the amount of phosphorylated substrate which was de-phosphorylated by PTPN1). Each plate had a 100% control (inhibitor: 4-bromo-3-(2-oxo-2-propoxyethoxy)-5-(3-{[1-(phenylmethanesulfonyl)piperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid) and 0% control (DMSO), which were used to calculate % inhibition. The % inhibition was then used to calculate the IC50 values.
12603	1	Tyro3 Enzymatic Assay	Poly(Glu, Tyr) sodium salt (Glu:Tyr (4:1), quality level 200, molecular weight 5,000-20,000, obtained from Sigma Aldrich, catalogue #P7244, assay concentration 0.20 mg/mL) and recombinant human Tyro3 (obtained from ThermoFisher Scientific, catalogue #PV3828, assay concentration 2 nM) were mixed in assay buffer (20 mM Hepes pH 7.5, 10 mM MgCl2, 1 mMM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO, with added MnCl2 at a final concentration of 2 mM). Compounds of interest (in DMSO, serial 3-fold dilution from 10 μM to 0.5 nM) or control (1% DMSO) were dispensed into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range). After incubation at room temperature for 20 minutes, the kinase reaction was initiated by addition of [32P]-ATP (Specific activity 10 μCi/μL) and the mixture was incubated at room temperature for 2 hours. The reaction was then stopped by spotting the reaction mixture on strips of phosphocellulose P81 paper. Following washing, the radioactivity of the P81 paper was measured and kinase activity data were expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
12604	1	Enzyme immunoassay	Non-limiting examples of PDE9 inhibitors of formula (II) are disclosed in WO 2013/110768, the contents of which are incorporated herein by reference in their entirety.
12605	1	SOS1 AlphaScreen Binding Assay	This assay can be used to examine the potency with which compounds according to the invention binding to (mutated) KRAS inhibit the protein-protein interaction between SOS1 and (mutated) KRAS e.g. KRAS G12C, KRAS G12D. This inhibits the GEF functionality of SOS1 and locks the corresponding (mutated) KRAS protein in its inactive, GDP-bound state. Low IC50 values in this assay setting are indicative of strong inhibition of protein-protein interaction between SOS1 and KRAS.
12605	2	KRAS TR-FRET Assays	This assay measures the inhibitory effect of compounds on KRAS  CRAF protein  protein interactions in the presence of GTP using Time-resolved fluorescence energy transfer (TR-FRET).
12606	1	Determination of EC50 Values for 5-HT4 Receptor	A stable CHO cell line expressing recombinant human 5-HT4 receptor and pCRE-Luc reporter system was used for cell-based assay. The assay offers a non-radioactive based approach to determine binding of a compound to GPCRs. In this specific assay, the level of intracellular cyclic AMP, which is modulated by activation, or inhibition of the receptor is measured. The recombinant cells harbor luciferase reporter gene under the control of cAMP response element. The above cells were grown in 96 well clear bottom white plates in Ham&#39;s F12 medium containing 10% fetal bovine serum. Prior to the addition of compounds or standard agonist, cells were serum starved overnight. Increasing concentrations of test compounds were added to the cells in OptiMEM medium. The incubation was continued in CO2 incubator at 37° C. with 5% CO2 conditions for 4 h. Medium was removed and cells were washed with phosphate buffered saline. The cells were lysed and luciferase activity was measured in a Luminometer. Concentration-response data was generated using the luciferase assay, following incubation of cells with receptor ligands, were analyzed by subtracting basal levels (i.e. with medium alone), then normalizing values as a percentage of controls (endogenous agonist serotonin (10 μM)). This data were analyzed by nonlinear regression with variable slope, using the computer package GraphPad Prism 4. EC50 values of the compounds were defined as the concentration required in stimulating the luciferase activity by 50%.
12607	1	Inhibition of KRASG12C and cRAF Binding	The AlphaScreen technology was used to determine IC50s for compound inhibition of KRAS G12C (present as the Cys-light (C51S, C80L and C118S), truncated version comprising amino acids 1-169) and cRAF interaction. Compounds were diluted in 100% DMSO and each compound concentration was spotted at 200 nl/well onto low volume, white 384 well plates. The KRAS G12C contained a biotin-AviTag and the cRaf, as Ras-binding domain (amino acids 50-131, RBD), was GST-tagged. KRAS G12C was preloaded with the GTP analogue Guanosine 5′-[β, γ-imido]triphosphate (GMPPNP). The KRAS G12C was diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 10 μM GMPPNP and added at 10 ul/well to compound-spotted plates resulting in a DMSO concentration of 2%. Plates were incubated for 19-20 hours. A mixture of RBD and the AlphaScreen streptavidin donor and glutathione acceptor beads diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 2% DMSO was then added at 10 ul/well and incubated for 60-90 minutes before the samples were read for emission at 570 nm after excitation of the donor beads at 680 nm. All incubations were performed at room temperature. The final top compound concentration was 50 μM with 1:3 titrations for 10-point dose response curves. Final assay conditions were 0.5 nM KRAS G12C, 0.75 nM RBD and 5 μg/ml each of AlphaScreen donor and acceptor beads. IC50s were determined using nonlinear regression fit of [inhibitor]vs. response (4 parameters).
12607	2	Inhibition of KRASG12C and PI3Ka Binding	The AlphaScreen technology was used to determine IC50s for compound inhibition of KRAS G1 2C (present as the Cys-light (C51S, C80L and C118S), truncated version comprising amino acids 1-169) and P13Ka interaction. Compounds were diluted in 100% DMSO and each compound concentration was spotted at 200 nl/well onto low volume, white 384 well plates. The KRAS G12C contained a biotin-AviTag and the P13Ka, as Ras-binding domain (amino acids 157-300, RBD), was His-tagged. KRAS G12C was preloaded with the GTP analogue Guanosine 5′-[β, γ-imido]triphosphate (GMPPNP). The KRAS GT2C was diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mMv MgCl2, 0.0100 TritonX-100 and 10 μM GMPPNP and added at 10 ul/well to compound-spotted plates resulting in a DMR concentration of 2%. Plates were incubated for 2 hours. A mixture of RBD and the AlphaScreen streptavidin donor and nickel chelate acceptor beads diluted in 25 mMv Hepes, pH 7.4, 150 mMv NaCl, 5 mM MgCl2, 0.0100 TritonX-100 and 2% DMSO was then added at 10 ul/well and incubated for 60-90 minutes before the samples were read for emission at 570 nm after excitation of the donor beads at 680 nm. All incubations were performed at room temperature. The final top compound concentration was 50 μM with 1:3 titrations for 10-point dose response curves. Final assay conditions were 1.5 nM KRAS GT2C, 100 nM RBD, 1.25 ug/ml of AlphaScreen donor beads and 10 μg/ml AlphaLISA acceptor beads. IC50S were determined using nonlinear regression fit of [inhibitor]vs. response (4 parameters).
12608	1	cAMP Assays	Activation of GLP-1 receptor is known to stimulate cyclic AMP (cAMP) production in cells which indicates primary coupling to the G as subunit of the G protein heterotrimeric complex. Evidence suggests signaling through G as induced cAMP stimulation elicits the desired pharmacological response regarding insulin release from pancreatic β-cells.
12609	1	In Vitro Assays of Nox Inhibiting Activity	Reactive oxygen produced in whole cells or in membrane preparation of Nox1, Nox3, Nox4, Nox5 and xanthine oxidase and glucose oxidase were determined using Amplex Red as detection probe of formed H2O2. Amplex Red (10-acetyl-3,7-dihydroxyphenoxazine) in combination with HRP and co-factors reacts with H2O2 in a 1:1 stoichiometry to form a highly fluorescent resorufin excitated at 544 nm producing emission at 590 nm.
12610	1	HDAC6 Inhibition Protocol	The buffer assay used in the inhibition hHDAC6 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and hHDAC6 (BPS Bioscience 50006) enzyme 1.20 nM was added in a 384 well Microplate (Greiner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide A (Perkin Elmer CLS960006) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	2	hHDAC1 Inhibition Protocol	The buffer assay used in the inhibition hHDAC1 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC1 (BPS Bioscience 50010) enzyme 5 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 3 hours at RT. Later Acetylated Peptide A (Perkin Elmer CLS960006) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	3	hHDAC2 Inhibition Protocol	The buffer assay used in the inhibition hHDAC2 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC2 (BPS Bioscience 50002) enzyme 12 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 3 hours at RT. Later Acetylated Peptide A (Perkin Elmer CLS960006) 1 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader. hHDAC2, LBH-589 (Reaction Biology Corp EP1009B) IC50<3 nM, Gale et al, Application note Perkin Elmer.
12610	4	hHDAC3 Inhibition Protocol	The buffer assay used in the inhibition hHDAC3 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC3 (BPS Bioscience 50003) enzyme 5 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 3 hours at RT. Later Acetylated Peptide A (Perkin Elmer CLS960006) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	5	hHDAC4 Inhibition Protocol	The buffer assay used in the inhibition hHDAC4 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC4 (BPS Bioscience 50004) enzyme 0.5 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide B (Perkin Elmer CLS960007) 1 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	6	hHDAC5 Inhibition Protocol	The buffer assay used in the inhibition hHDAC5 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC5 (BPS Bioscience 50005) enzyme 0.75 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide B (Perkin Elmer CLS960007) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	7	hHDAC7 Inhibition Protocol	The buffer assay used in the inhibition hHDAC7 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC7 (BPS Bioscience 50007) enzyme 5 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide B (Perkin Elmer CLS960007) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	8	hHDAC8 Inhibition Protocol	The buffer assay used in the inhibition hHDAC8 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC8 (BPS Bioscience 50008) enzyme 1 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide B (Perkin Elmer CLS960007) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	9	hHDAC9 Inhibition Protocol	The buffer assay used in the inhibition hHDAC9 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and HDAC9 (BPS Bioscience 50009) enzyme 2 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 5 minutes at RT. Later Acetylated Peptide B (Perkin Elmer CLS960007) 2 μM was added and incubated during 1 hour at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12610	10	HDAC10 Inhibition Protocol	The buffer assay used in the inhibition hHDAC10 assay is: Hepes 50 mM, KCl 100 mM, Tween 20 0.001%, BSA 0.01%; pH=7.4. Study compound and hHDAC10 (BPS Bioscience 50010) enzyme 10 nM was added in a 384 well Microplate (Geriner 784209) and incubated during 60 minutes at RT. Later Acetylated Peptide A (Perkin Elmer CLS960006) 6 μM was added and incubated during 24 hours at RT. Finally, LBH589 (Reaction Biology Corp EP1009B) 1.4 μM was added to stop the reaction. The reaction was measured in a Caliper EzReader LabChip 3000 (Caliper, Hopkinton, MA) reader.
12611	1	LANCE TR-FRET Assay	TRKA Kinase: The assay of small molecular compounds for inhibiting the activity of TRKA kinase is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 μL of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 μL of 2×TRKA kinase solution (with a concentration of 2 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 5 minutes.4. 2.5 μL 4× Ultra ULight-labeled TK Peptide (with a concentration of 400 nM)/ATP (with a concentration of 40 μM) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 μL/well 4× substrate/ATP mixture and 7.5 μL 1× Kinase Assay Buffer were added to the wells of the 384-well plate.Positive control: 2.5 μL/well 4× substrate/ATP mixture, 2.5 μL/well 1× Kinase Assay Buffer containing 4% DMSO, and 5 μL/well 2×TRKA kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 1%.6. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.7. Termination of the enzymatic reaction: 5 μL of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.8. Development of the reaction: 5 μL of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.9. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.10. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well−reading of experimental well)/(reading of positive control well−reading of negative control well)×100%. 
12611	2	LANCE TR-FRET Assay	c-MET Kinase: The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 μL of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 μL of 2×c-MET kinase solution (with a concentration of 2 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 5 minutes.4. 2.5 μL 4× Ultra ULight™-JAK-1 (Tyr1023) Peptide (with a concentration of 400 nM)/ATP (with a concentration of 40 μM) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 μL/well 4× substrate/ATP mixture and 7.5 μL 1× Kinase Assay Buffer were added to the wells of the 384-well plate.6. Positive control: 2.5 μL/well 4× substrate/ATP mixture, 2.5 μL/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 μL/well 2× c-MET kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.7. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.8. Termination of the enzymatic reaction: 5 μL of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.9. Development of the reaction: 5 μL of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.10. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.11. Analysis and processing of the raw data:12. The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well−reading of experimental well)/(reading of positive control well−reading of negative control well)×100%.
12611	3	LANCE TR-FRET Assay	MER Kinase: The assay of small molecular compounds for inhibiting the activity of MER kinase is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 μL of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 μL of 2×MER kinase solution (with a concentration of 1 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 5 minutes.4. 2.5 μL 4× ULight-labeled Ploy GT (with a concentration of 200 nM)/ATP (with a concentration of 20 μM) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 μL/well 4× substrate/ATP mixture and 7.5 μL 1× Kinase Assay Buffer were added to the wells of the 384-well plate.Positive control: 2.5 μL/well 4× substrate/ATP mixture, 2.5 μL/well 1× Kinase Assay Buffer containing 4% DMSO, and 5 μL/well 2×MER kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 1%.6. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.7. Termination of the enzymatic reaction: 5 μL of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.8. Development of the reaction: 5 μL of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.9. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.10. Analysis and processing of the raw data:The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well−reading of experimental well)/(reading of positive control well−reading of negative control well)×100%.
12611	4	LANCE TR-FRET Assay	VEGFR-2 Kinase: The assay is based on the LANCE TR-FRET technology of Perkin Elmer Inc., and the assay method is as follows:1. Dilution of compounds: a total of 11 concentrations were obtained using a 3-fold gradient dilution from the highest concentration of 2500 nM (the maximum final concentration of the drug used in this assay was 2500 nM, and the minimum final concentration was 0.042 nM).2. 2.5 μL of the gradient-diluted compounds were taken with a transfer pipette to a 384-well plate.3. Addition of enzyme: 5 μL of 2×VEGFR2 kinase solution (with a concentration of 0.5 nM) was taken with a transfer pipette to the corresponding reaction well of the 384-well plate, mixed well and pre-reacted at room temperature for 30 minutes.4. 2.5 μL 4× Ultra ULight™-JAK-1 (Tyr1023) Peptide (with a concentration of 200 nM)/ATP (with a concentration of 40 μM) mixture was taken with a transfer pipette to the corresponding reaction well of the 384-well plate.5. Negative control: 2.5 μL/well 4× substrate/ATP mixture and 7.5 μL 1× Kinase Assay Buffer were added to the wells of the 384-well plate.6. Positive control: 2.5 μL/well 4× substrate/ATP mixture, 2.5 μL/well 1× Kinase Assay Buffer containing 16% DMSO, and 5 μL/well 2×VEGFR-2 kinase solution were added to the 384-well plate. The final concentration of DMSO in the reaction system was 4%.7. The mixture was mixed well and then centrifuged and reacted at room temperature in dark for 60 min.8. Termination of the enzymatic reaction: 5 μL of 4× stop solution was taken with a transfer pipette to the wells of the 384-well plate, mixed and then centrifuged, and reacted at room temperature for 5 min.9. Development of the reaction: 5 μL of 4× detection solution was taken with a transfer pipette to the wells of the 384-well plate for color development, and the mixture was mixed and then centrifuged and reacted at room temperature for 60 min.10. The 384-well plate was placed into the Envision plate reader and the signal was detected using the appropriate program.11. Analysis and processing of the raw data: The drug concentrations and the corresponding inhibition rates were input into GraphPad Prism5 for calculation, and the inhibition rate of the compounds were calculated as follows: inhibition rate (%)=(reading of positive well−reading of experimental well)/(reading of positive control well−reading of negative control well)×100%.
12612	1	PTP4A3 Enzymatic Assay	Table 2: Recombinant human PTP4A3 phosphatase was used and the enzymatic assay was performed as previously described,20 except that it was fully automated using an Agilent Bravo Liquid Handling Platform to increase reproducibility. Results are the mean values of N number of independent assays, each comprising 10-point concentration curves conducted with six replicates.
12612	2	PTP4A1, PTP4A2, PTP4A3 Enzymatic Assay	Table 4: In Vitro Biochemical Analysis of PTP4A Inhibition. Enzyme activity assays were performed in triplicate in 384-well Greiner Bio-One black small volume microtiter plates, as previously described (McQueeney et al., 2017; McQueeney et al., FASEB J., 32 (2018) 5661-5673), using recombinant human His6-tagged PTP4A1, PTP4A2, PTP4A3, PTP4A3 mutants, CDCl25B, or DUSP3 and substrate DiFMUP (12 μM) incubated at 25° C. for 25 minutes in 40 mM Tris-HCl (pH 7.0), 75 mM NaCl, 2 mM EDTA, and 4 mM DTT buffer. The assays were fully automated using an Agilent Bravo Liquid Handling Platform and miniaturized to 15 ml total volume. Dilutional reversibility assays were performed in a 100 ml total reaction volume using the same assay conditions (McQueeney et al., 2017, 2018). His6-tagged PTP4A3 (1 mg) was preincubated for 30 minutes with 0, 86, or 860 nM compound and then diluted to 10-fold. Reactions were initiated with the addition of 45 ml of substrate for a final DiFMUP concentration of 12 μM and incubated at room temperature for 25 minutes. Preincubation studies with 9p were performed by incubating the compound with PTP4A3 for 2 hours with continuous shaking, after which time substrate was added and the standard assay conditions were followed. Fluorescence data were captured on a SpectraMax M5 (San Jose, CA) and phosphatase activity was expressed as a percentage of maximal activity.
12613	1	In Vitro Inhibitory Activity of Compounds Against SARS-CoV-2 Papain-Like Protease	Test compounds were assayed at 10 concentrations from 10 μM, in duplicate for the IC50 determination. The assay buffer contained 50 mM HEPES (pH 7.5), 0.01% Triton-X 100, 0.1 mg/ml BSA and 5 mM DTT. The final concentrations of the PLpro protein and substrate in the assay were 6.25 nM and 25 μM, respectively.Compounds were 3 folds serially diluted to 10 concentrations and added to an assay plate (384 w format) using ECHO, in duplicate wells. The final concentrations are 10 μM, 3.33 μM, 1.11 μM, 0.37 μM, 0.123 μM, 0.041 μM, 0.014 μM, 0.0046 μM, 0.0015 UM and 0.00051 μM.20 μL of 7.8 nM of PLpro protein were added to an assay plate containing compounds using a Multidrop. The compounds and PLpro protein were pre-incubated at room temperature for 30 min. Then 5 μL of 125 μM of substrate were added to an assay plate using a Multidrop. The final concentrations of PLpro and substrate were 6.25 nM and 25 μM, respectively.
12614	1	Inhibitory Activity Test Against SARS-CoV-2 3CL Protease	In this test, an assay buffer consisting of 20 mM Tris-HCl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used. For compounds with an IC50 value of 10 nM or less, an assay buffer consisting of 20 mM Tris-HCl, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used.
12615	1	TBD	TBD
12617	1	ATR Enzyme Activity Inhibition Assay	Prepare various buffer systems required for the experiment:1. Prepare ATR reaction buffer containing 25 mM HEPES (Gibco, Cat #15630-080), 5 mM DTT (Sigma, Cat #D0632-10G), 10 mM MnCl2 (Sigma, Cat #7773-01-5), 5 mM DTT (Sigma, Cat #D0632-10G), 1 mg/mL of BSA (Sigma, Cat #B2064-50G), 0.01% Brij35 (Sigma, Cat #9002-92-0), 1% Glycerol (Sigma, Cat #G5516-500 ML), and H2O. The full-length ATR enzyme (eurofins, Cat #14-953M) was diluted to 60 nM using the prepared ATR buffer.2. Prepare reaction substrate containing 80 nM p53 (eurofins, Cat #14-952M) and 300 nM ATP (Sigma, Cat #R0441).3. Prepare detection buffer: Dilute each of the anti-phospho-p53-Eu cryptate (Cisbio, Cat #61P08KA) and anti-GST-d2 (Cisbio, Cat #61GSTDLB) to 1 unit using HTRF detection buffer (Cisbio, Cat #62SDBRDF).Powdered compounds were dissolved in DMSO to from a stock solution at a concentration of 10 mM. The solution of compounds to be tested at a concentration of 1M was performed a 3-fold dilution for 10 concentrations with DMSO. Then, the diluted solution was added to 384-well plate at 10.05 μL per well (containing 0.498% DMSO). 5 μL of ATR was added to each well accordingly. Each well is incubated at 25° C. for 10 min, added with 5 μL of reaction substrate, incubated at 25° C. for 90 min and added with 10 μL of detection solution. The reaction was carried out overnight, and the data at 665/615 nm were read by an Envision 2104 Multilabel Reader. 
12618	1	17beta-HSD13 Biochemical Assay	More specifically, recombinant 17β-HSD13 protein was assayed in a buffer containing 200 mM Tris pH 7.5, 0.01% Triton X-100, and 0.02% BSA into a 384-well assay plate. Compounds were incubated with 17β-HSD13 (final 50 nM) and NAD+ (final 10 mM) at room temperature for 1 h prior to substrate addition. The assay reaction was then initiated by addition of β-estradiol (final 20 μM), and the reaction mixture was incubated for 2 hours at room temperature. Product formation was detected with chemiluminescence by adding equal volume of NAD+/NADH Glo reagent (Promega, #G9062) and read on a PHERAstar microplate reader (BMG LABTECH). IC50 values were determined with GraphPad Prism®, where log-transformed concentration values and the inhibition data were fitted to a four-parameter logistic equation. Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*HillSlope)).
12619	1	Polθ ATPase Enzymatic Assay (0.5 nM Enzyme Concentration)	PolQ ATPase enzyme (1-894) at 0.5 nM is incubated with a 10-point concentration response of inhibitors for 15 min at rt in the following buffer: 50 mM Tris Cl pH 7.5, 10% glycerol, 5 mM DTT, 10 mM MgCl2, 0.1 mg/ml BSA. Following pre-incubation with inhibitors, DNA (Fork C) at 20 nM and ATP at 100 μM are added to start the reaction. Enzymatic reaction proceeds at rt for 180 min ATP consumption is measured using the ADP-Glo assay from Promega. Luminescence is read on the Envision and IC50 are determined using the variable slope 4-parameters equation.Oligos are annealed by heating at 9500 for 5 min in the following buffer (10 mM Tris-HCl pH7.5, 50 mM NaCl, 1 mM EDTA) and cooled to rt.
12619	2	Polθ ATPase Enzymatic Assay (3 nM Enzyme Concentration)	Polθ ATPase enzyme (1-894) at 3 nM is incubated with a 10-point concentration response of inhibitors for 15 min at rt in the following buffer: 50 mM Tris Cl pH 7.5, 10% glycerol, 5 mM DTT, 10 mM MgCl2, 0.1 mg/ml BSA. Following pre-incubation with inhibitors, DNA (Fork C) at 20 nM and ATP at 100 μM are added to start the reaction. Enzymatic reaction proceeds at rt for 60 min. ATP consumption is measured using the ADP-Glo assay from Promega. Oligos are annealed by heating at 95° C. for 5 min in the following buffer (10 mM Tris-HCl pH7.5, 50 mM NaCl, 1 mM EDTA) and cooled to rt.
12619	3	Reversible CYP Inhibition Assay	A seven-point semi-log dilution of each test compound (up to 30 NM) or positive control inhibitors for CYP2C9 (up to 1000 nM sulphenazole), CYP2D6 (up to 500 nM quinidine) and CYP3A4 (up to 250 nM ketoconazole) were dissolved in DMSO and added to the incubation plate using a Tecan 300 (normalized for 0.3% DMSO content). Final reaction conditions were: human liver microsomes (0.1 mg/mL), potassium phosphate buffer 100 mM pH 7.4, 1 mM magnesium chloride, 5 NM diclofenac, 5 NM dextromethorphan and 2.5 μM midazolam. After a pre-incubation at 37 00. The reaction was started with the addition of NADPH solution at the final concentration of 1 mM and carried out at 37 00 for 5 minutes. The reaction was stopped by the addition of 1 volume of cold acetonitrile with internal standard (labetalol) to the incubation plate. The incubation plate was centrifuged at 3000 rpm for 10 minutes to precipitate proteins, and the supernatant was analyzed by LC-MS/MS. Metabolite area ratio (4-OH-diclofenac, dextrorphan and 1-OH-midazolam) versus ISTD area ratio was used as the quantitative signal. Data were analyzed using the plot log of concentration (×-axis) versus the percentage of inhibition (y axis) and the IC50, Hill Slope and R2 were determined.
12620	1	In Vitro Inhibitory Activity Against ATR Kinase	A 50 ng/μL ATR stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67×, 0.0835 ng/μL working solution was added to each well (final concentration: 0.05 ng/μL). Different compounds dissolved in DMSO were added to wells using a nanoliter pipettor, such that the final concentrations of the compounds were 1000 nM-0.24 nM and the concentrations in positive wells were 100 nM-0.024 nM (4-fold gradient, 7 concentrations in total). Meanwhile, a blank control well (containing no enzyme) and a negative control well (containing enzyme, with the vehicle DMSO added) were set. After the enzyme had reacted with the compound or vehicle for 30 min, a 5×, 50 μM ATP (final concentration: 10 μM) prepared with the kinase buffer and a 5×, 0.5 μM substrate (final concentration: 0.1 μM, U Light-poly GT) were 1:1 mixed, and the mixture was added to wells at 4 μL/well. After the plate was sealed with a sealing film and the plate was incubated at room temperature for 2 h, 5 μL of 4×, 40 mM EDTA (final concentration: 10 mM) was added to each well. After 5 min of incubation at room temperature, 5 μL of a 4×, 8 nM assay reagent (final concentration: 2 nM, Ep-anti-phospho-tyrosine antibody) was added to each well. The plate was incubated at room temperature for 1 h. Plate reading was performed on a PE instrument (excitation: 320 or 340 nm; emission: 665 nm), and four-parameter fitting and IC50 calculations were performed.
12621	1	UDP-Glo™ Glucosylceramide Synthase Biochemical Assay	Using Promega&#39;s UDP-Glo™ Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 μg crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 μM; Promega), at concentrations equivalent to 2×Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction. 
12622	1	5-HT2A Receptor Binding Inhibition Test	Radioactive ligand: [3H]-Ketanserin with a final concentration of around Kd value calculated by the following method[1046]Non-specific ligand: Serotonin HCl with a final concentration of 500 μmol/LThe Kd value is calculated when the lot of cell membrane is changed. In advance, 0.5 μL of a 1 mmol/L compound for non-specific binding calculation dissolved in DMSO or DMSO is dispensed into a microplate, and the cell membrane is diluted with an Assay buffer. The radioactive ligand solution is serially diluted and the count is confirmed with a liquid scintillator. Assay buffer containing diluted cell membrane is dispensed into a microplate at 50 μL/well. Then, the radioactive ligand solution is dispensed into a microplate at 50 μL/well, and the plate is sealed. It is allowed to stand at room temperature (25° C.) for 1.5 hours. During this period, 50 mmol/L Tris-HCl (pH 7.4) is dispensed into a GF/B UniFilter plate at 50 μL/well and allowed to stand at 4° C. for 1 hour or longer. After that, filtration is performed with Cell harvester (PerkinElmer). The radioactive ligand solution is dispensed into an empty well of the GF/B UniFilter plate at 10 μL/well. After the GF/B UniFilter plate is dried at room temperature, MicroScinti 20 is dispensed into the GF/B UniFilter plate at 50 μL/well to seal the plate. The GF/B UniFilter plate is allowed to stand overnight at room temperature. The radioactivity of [3H]-Ketanserin bound to the 5-HT2A receptor is measured using Microbeta2 (PerkinElmer) at a measurement time of 1 min/well.
12622	2	5-HT2C Receptor Binding Inhibition Test	In advance, 0.5 μL of the compound solution dissolved in DMSO is dispensed into a microplate, and the cell membrane and the hot ligand are diluted with Assay buffer, respectively. Then, the Assay buffer containing the diluted cell membrane is dispensed into a microplate at 50 μL/well. Then, the radioactive ligand solution is dispensed into a microplate at 50 μL/well, and the plate is sealed. Then, it is allowed to stand at 37° C. for 2 hours. During this period, 50 mmol/L Tris-HCl (pH 7.4) is dispensed into a GF/B UniFilter plate at 50 μL/well and allowed to stand at 4° C. for 1 hour or longer. After that, filtration is performed with Cell harvester (PerkinElmer). After the GF/B UniFilter plate is dried at room temperature, MicroScinti 20 is dispensed into the GF/B UniFilter plate at 50 μL/well, and the plate is sealed. The GF/B UniFilter plate is allowed to stand overnight at room temperature. The radioactivity of [3H]-Mesulergine bound to the 5-HT2C receptor is measured using Microbeta2 (PerkinElmer) at a measurement time of 1 min/well.
12623	1	Biochemical Pol Theta (1-894) ATPase IC50 Assay	Enzymatic reactions of Pol Theta (1-894) were performed using ADP-Glo assay with ssDNA substrate. Pol Theta (1-894) was expressed in baculovirus expression system. The inhibition activities testing for the compound disclosed herein were carried out at room temperature in assay buffer containing 40 mM Tris pH 7.5, 20 mM MgCl2, 1 mM DTT, 0.01% BSA and 0.05% Tween-20. Compounds in DMSO were dispensed into wells of a black 384 well plate (Corning 4514) using D300e digital dispenser (Tecan). The ranges of compounds final concentration were 2.62 nM˜10000 nM. 3 μL 2× enzyme solution containing 12.5 nM enzyme was added to wells. After incubation for 1 hour, 3 μL 2× substates solution containing 0.124 μM ssDNA (5′-ACT CGT CTC TAG CTT TTT-3′) and 444 μM ATP was added to the wells to initiate reaction. After 1 hour reaction, 5 μL ADP-Glo reagent (Promga V9102) was added and incubated for 40 minutes. 10 μL Kinase Detection reagent was added and incubated for 40 minutes. Luminescence was measured on a microplate reader (PHERAstar FSX, BMG labtech). The IC50 values were calculated based on inhibition of enzyme activity in the presence of increasing concentrations of compounds.
12624	1	AXL Kinase Inhibitory Activity Assay	AXL enzyme (Carna, 08-107) configuration and addition: 33.33 ng/μL of AXL enzyme was diluted to 0.027 ng/μL (1.67×, final conc.=0.016 ng/μL) with 1× enzyme buffer (1 ml of 1× enzyme buffer configured with 200 μL of Enzymatic buffer kinase 5×, 10 μL of 500 mM MgCl2, 10 μL of 100 mM DTT, and 6.26 μL of 2500 nM SEB, with the addition of 773.75 μL of H2O), using a BioTek (MultiFloFX) automated dispenser, compound wells and positive control wells were each spiked with 6 μL of 1.67 times the final concentration of enzyme solution; 6 μL of 1× Enzymatic buffer was added to the negative control wells.
12625	1	HPK1 Lantha Binding Assay	For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 ul 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23 C incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters: TR_FRET, 340 ex/615 and 665em; 100 usec Delay; and 200 usec integration.
12626	1	In Vitro Protein Activity Assay	The basic principle is: SHP2 as phosphatase can catalyze the dephosphorization of DiFMUP to form DiFMU and free phosphate groups. The product DiFMU emits fluorescence under 340 nm excitation, and 450 nm emission is collected. If the binding of small molecule compounds with SHP2 can inhibit the activity of SHP2 enzyme, the 450 nm emission light detected will be weakened, and the activity of SHP2 enzyme will be finally reflected by the intensity of fluorescence value.The specific operation was as follows: the 10 mM compound stock solution was diluted to 1 mM with DMSO, and then diluted 3 times with DMSO. 95 μL reaction buffer (60 mM HEPES), 75 mM NaCl, 75 mM KCl, 1 mM EDTA, 5 mM DTT, 1 μL gradient diluted compound, 2 μL SHP2 (concentration was 2 μg/μL) and 1 μL polypeptide (concentration was 50 mM) were added into each well of a 96 well flat clear bottom black plate (costar, 3603). The above test mixture was incubated at room temperature in dark for 60 minutes. Then 2 μL of 10 mM DiFMUP was added into each well, and was incubated at room temperature for 30 minutes. Fluorescence value was determined in the enzyme reader at Ex340/Em450. IC50 of the compounds was obtained by the data analysis software Prism.
12627	1	Electrophysiological Assay (EP) (In Vitro Assay)	Sodium currents are measured in the whole-cell configuration using Syncropatch 384PE (Hanlon Technologies, Germany). 1NPC®-384 chips with custom medium resistance and single hole mode are used. Internal solution consists of (in mM): 110CsCl, 10CsCl, 20EGTA, and 10Hepes (pH adjusted to 7.2); and external solution contains (in mM): 60NMDG, 80NaCl, 4 KCl, 1MgCl2, 2CaCl2, 2D-Glucose monohydrate, 10Hepes (pH adjusted to 7.4 with NaOH).After system flushing, testing compounds are dissolved in external solution containing 0.1% Pluronic F-127. The chip is moved into the measuring head and the instrument primes the chip with external and internal solutions. 10 μl cells are added to the chip from a cell hotel, and a negative pressure of −50 mBar is applied to form a seal. Following treatment with seal enhancer solution and wash-off with external solution, negative pressure of −250 mbar is applied for 1 second to achieve the whole-cell configuration, followed by three washing steps in external solution. 20 μl of compounds is added to 40 μl in each well (1:3 dilution of compounds), and after mixing, 20 μl is removed so the volume is retained at 40 ul. After approximately 13 minutes recordings, 20 μl/well of 2 uM TTX, or 333 uM Tetracaine (for Nav1.5) is added to achieve full block.
12628	1	Inhibitory Activity Assay	1. Experimental Purpose:The inhibitory activities of the series of compounds against Ret wt, VEGFR2, CCDC6-RET, Ret M918T, Ret V804L, and Ret V804M were tested by HTRF method, and IC50 values were determined.2, The assay agents and consumables used are as shown below:1) HTRF KinEASE-TK kit (Cisbio, 62TK0PEC)2) Ret wt (Invitrogen, PV3082)3) VEGFR2 (invitrogeon, PV3660)4) CCDC6-RET (Signalchem, R02-19BG-10)5) RetM918T (Signalchem, R02-12JG-10)6) Ret V804L (Signalchem, R02-12BG-10)7) Ret V804M (Signalchem, R02-12GG-10)8) MgCl2 (Sigma, M1028)9) ATP (Promega, V910B)10) DTT (Invitrogen, P2325)11) DMSO (Sigma, D8418)12) 384-well plate, white, low volume, round-bottom (Greiner, 784075)13) 384-Well Polypropylene microplate, Clear, Flatt Bottom, Bar Code (Labcyte, P-05525-BC)14) 96-well polypropylene plate (Nunc, 249944)15) Plate shaker (Thermo, 4625-1 CECN/THZ Q)16) Centrifuge (Eppendorf, 5810R)17) Envision 2104 multi-label Reader (PerkinElmer, 2104 Oct. 1)18) Echo (Labcyte, 550)3. Experimental procedure3.1 Preparation of 1× Kinase Reaction Buffer:1 volume of 5× kinase reaction buffer and 4 volumes of water; 5 mM MgCl2; 1 mM DTT;1 mM MnCl2.3.2 10 nl of diluted compound was transferred to per well in the Echo 550 reaction plate (784075, Greiner);3.3 The reaction plate was sealed with a sealing film and centrifuged at 1000 g for 1 minute.3.4 1× Enzyme reaction buffer was used to prepare 2× Kinase.3.5 5 μl of kinase was added to each well in the reaction plate (prepared in step 3). The plate was sealed with a sealing film, centrifuged at 1000 g for 30 seconds, and then left at room temperature for 10 minutes.3.6 4×TK-substrate-biotin and 4×ATP were prepared with 1× enzyme reaction buffer, and then mixed uniformly. To the reaction plate was added 5 μl of the mixture of K-substrate-biotin/ATP.3.7 The plate was sealed with a sealing film, centrifuged at 1000 g for 30 seconds, and then left for reaction at room temperature for 40 minutes.3.8 4× Sa-XL 665 (250 nM) was prepared using HTRF assay buffer.3.9 5 μl of Sa-XL 665 and 5 μl of TK-antibody-Cryptate were added to each well, centrifuged at 1000 g for 30 seconds, and reacted at room temperature for 1 hour.3.10 Fluorescence signals at 615 nm (Cryptate) and 665 nm (XL665) were read with Envision 2104.4. Data Analysis4.1 Calculation of the ratio of each well (Ratio_665/615 nm)4.2 The inhibition rate was calculated as follows:The⁢⁢inhibition⁢⁢rate⁢⁢of⁢⁢the⁢⁢compound⁢⁢(%⁢⁢inhibition)= [1-Ratiocompound-Ratio_positive⁢⁢controlRatio_negative⁢⁢control-Ratio_positive⁢⁢control]=100
12629	1	Competition Binding Assay	Competition binding with α2AR subtypes were performed by incubating membranes in buffer A (50 mM TRIS at pH 7.4) at final protein concentrations of 3-10 g/well with the radioligand (final concentration 0.5-2.0 nM according to the appropriate KD and Bmax) and varying concentrations of the competing ligands for 60 minutes at 37° C. Binding to α1A and α1B was measured with buffer B (50 mM TRIS, 5 mM MgCl2, 1 mM EDTA, 100 μg/mL bacitracin and 5 μg/mL soybean trypsin inhibitor at pH 7.4) at 2-6 g/well (radioligand at 0.2-0.3 nM) and binding to 1 and 12 was measured with buffer C (25 mM HEPES, 5 mM MgCl2, 1 mM EDTA, and 0.006% bovine serum albumin at pH 7.4) at 4-8 μg/well (radioligand 0.2 nM). Non-specific binding was determined in the presence of unlabeled ligand at 10 μM. Protein concentration was measured using the method of Lowry (71).
12630	1	In Vitro Kinase Assay	One hundred nanograms of glutathione S-transferase (GST)-tagged human LZK pure protein (Carna Biosciences, #09-114) was incubated with 100 ng of GST-tagged human inactive MKK7 pure protein (Carna Biosciences, #07-147-10) in kinase buffer (Cell Signaling Technology, #9802). The assay was performed with 100 μM ATP at 37° C. for 30 minutes. Following the addition of 4× reducing SDS sample buffer, proteins were resolved by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and immunoblot analysis was performed as stated previously.
12631	1	Human DHODH Inhibition Assay	The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239. Briefly, the hDHODH concentration was adjusted in a way that an average slope of approximately 0.2 AU/min served as the positive control (e.g. without inhibitor). The standard assay mixture contained 60 UM 2,6-dichloroindophenol, 50 μM decylubiquinone and 100 UM dihydroorotate. The hDHODH enzyme with or without at least six different concentrations of the compounds was added and measurements were performed in 50 mM TrisHCI, 150 mM KCl and 0.1% Triton X-100 at pH 8.0 and at 30° C. The reaction was started by adding dihydroorotate and measuring the absorption at 600 nm for 2 min. For the determination of the IC50 values, each data point was recorded in triplicate. For the determination of the inhibitory constant Ki, the KM values for DHO and decylubichinon were determined. Afterwards, the compounds were diluted in a dilution series depending on their IC50 values in DMSO.
12632	1	Surface Plasmon Resonance (SPR) Assay	The kinetic and affinity parameters of protein-exemplary compound interactions were evaluated by SPR. hsTEAD1 (209-426) was immobilized onto a CM7 (Series S) sensor chip via the standard amine coupling procedure, at 15° C. Prior to immobilization, the carboxymethylated surface of the chip was activated with 400 mM 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide and 100 mM N-hydroxysuccinimide for 10 min. hsTEAD1 (209-426) was diluted to 11 μg/mL in 10 mM Bis-Tris at pH 6.5 and immobilized on the activated surface chip for 8 and 10 min, in order to reach 6000 to 9000 response units (RU). The remaining activated carboxymethylated groups were blocked with a 7 min injection of 1 M ethanolamine pH 8.5 after which the surface chip was washed with 0.5% (w/v) sodium dodecyl sulphate and 50 mM glycine. HBS-N, which consists of 10 mM HEPES pH 7.4 and 150 mM NaCl, was used as the background buffer during immobilization. Exemplary compounds were prediluted in DMSO, diluted 1:50 in running buffer (20 mM Tris pH 7.4, 150 mM NaCl, 1 mM DTT, 5 mM MgCl2, 0.1 mM EGTA, 0.05% CHAPS) and injected at ten different concentrations using two-fold dilution series, from 100 μM to 0.2 μM. A DMSO solvent correction (1%-3%) was performed to account for variations in bulk signal and to achieve high-quality data. Interaction analysis cycles consisted of a 240 sec sample injection (30 μL/min; association phase) followed by 600 sec of buffer flow (dissociation phase).
12633	1	Radioligand Binding Assay	i. Prepared the assay buffer following the table below; Reagent Concentration Tris 50 mMCaCl2, 4 mMBSA, 0.1% (w/V) Adjust pH to 7.4 followed by 0.2 μM sterile filtration ii. Preparation of 8 doses of reference and test compounds starting from 10 mM stock solution as requested by 5-fold serial dilutions with 100%; iii. Prepared (v/v) DMSO: a. 50 μl/well of 0.5% (v/v) PEI was added to UniFilter-96 GF/B plates. The plates were sealed and incubates at 4° C. for 3 hrs; b. After incubation, the plates were washed 3 times with ice-cold wash buffer (50 mM Tris, pH7.4); iv. Preparation of assay plates: a. Cell membrane were diluted with assay buffer and 330 μl/well was added to 96 round deep well plates to reach a concentration of 20 μg/well; b. 8 concentrations of reference or test compounds were prepared and 110 μl/well was added to 96 round deep well plates; c. [3H]-ketanserin was diluted with assay buffer to 5 nM (5× final concentration) and 110 μl/well was added to 96 round deep well plates. v. The plate was centrifuged at 1000 rpm for 30 secs and then agitated at 600 rpm, R.T. for 5 min. vi. The plates were sealed and incubates at 27° C. for 90 min.vii. The incubation was stopped by vacuum filtration onto GF/B filter plates followed by 4 times washing with ice-cold wash buffer (50 mM Tris, pH7.4).viii. The plates were dried at 37° C. for 45 min. ix. The filter plates were sealed and 40 μl/well of scintillation cocktail was added. x. The plate was read by using a Microbeta2 microplate counter.
12634	1	Biological Assay	To assess peak Nav1.5 current inhibition in an atrial fibrillation-mimicking condition (Nav1.5 IC50 (5 Hz, AF-like rate) (μM)), compounds were first prepared at 10 mM in DMSO, and cells were pre-incubated with test compounds at each concentration for 3 min. in an ascending order of 0, 0.37, 1.1, 3.3, 10 and 30 μM. An atrial action potential-like protocol consisting of a voltage ramp (+10 mV to −85 mV for a 150 ms duration and a holding potential at −85 mV) was then applied to cells at 5 Hz for 12 s until no further current change or inhibition was observed. The percent inhibition (expressed as ([Iafter compound treatment/Ibefore compound treatment]×100%) is calculated by normalizing the peak current amplitude at the last pulse of each of the 6 compound concentrations by the amplitude before exposure to the test compound. 
12635	1	Competitive Fluorescence Polarization (FP) Assay	Binding affinities (Kd) with the JAK2 JH2 domain were evaluated using the previously developed FP assay and compound 1 as a control. An initial screening is conducted at 50 μM, and binding affinities (Kd&#39;s) are measured for those exhibiting >50% binding at 50 μM (Table 1). Replacement of the oxazole in 2 with 6-membered aromatic rings produced compounds with a binding range of 0.129 to 1.4 μM. Conversion of the carboxylate of compound 7 to a methyl ester (8) or just hydrogen (9) resulted in large loss of binding affinity, and the addition of a benzyloxy group gave compounds (11-14) with an affinity range of 0.033 to 0.075 μM. Selectivity measurements were conducted subsequently for the most potent JAK2 JH2 ligands. In a flat black bottom 96 well plate (Corning), 200 μL of FP buffer were added to column 1 (blank), 150 μL to column 2, and 140 μL to columns 3-12. 10 μL of 2.96 μM of JAK2-JH2 WT (3.52 μM for JAK2-JH2-VF, and 6.93 μM for JAK2-JH1), were added to columns 3-12, followed by the addition of 2 μL of DMSO to columns 1-3. 2 μL of inhibitor in DMSO at different concentrations were added from column 4 to 12. 50 μL of 24 nM of tracer were added to columns 2-12. Fluorescence polarization was measured at λexc=485±20 nm, λem=535±25 nm for 1 hour. Experiments were carried out by quadruplicates in three independent experiments.
12636	1	Inhibitory Activity Assay	Inhibitory activity of compounds on 20-HETE production (rCYP4F2 and rCYP4A11). The compounds of the present invention effectively inhibit the activity of CYP4F2 and CYP4A11, the main enzymes that generate 20-HETE in humans, thereby inhibiting the production of 20-HETE.
12637	1	V1b Competitive Radioligand Binding Assay	Test compounds were tested for binding to the V1b human vasopressin receptor using a human V1b (agonist radioligand) Receptor Binding Assay, with the results summarized in Table 2. Test compounds were tested at several concentrations for IC50 or EC50 determination.The detection method used was Scintillation counting. Ligand [3H]AVP was used with a Kd of 0.2 nM at concentrations of 0.2 nM. Incubation was for 120 min at RT. Control inhibitor used was Argipressin acetate and reference compound was AVP.Compound binding was calculated as a % inhibition of the binding of a ligand specific for each target. The results are expressed as a percent of control specific bindingmeasured⁢specific⁢bindingcontrol⁢specific⁢binding*100and as a percent inhibition of control specific binding100-(measured⁢specific⁢bindingcontrol⁢specific⁢binding*100)obtained in the presence of the test compounds.
12638	1	USP30 Biochemical IC50 Assay	Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well polypropylene V-bottom plate (Greiner #651201). A typical 8-point dilution series would be 100, 30, 10, 3, 1, 0.3, 0.1, 0.03 μM final. Reactions were performed in duplicate in black 384 well plates (small volume, Greiner 784076) in a final reaction volume of 21 μl.Either lpl of 50% DMSO or diluted compound was added to the plate. USP30 (Boston Biochem #E582) was diluted in reaction buffer (40 mM Tris, pH 7.5, 0.005% Tween 20, 0.5 mg/ml BSA, 5 mM beta-mercaptoethanol) to achieve a final assay concentration of 4 nM, and 10 μl of diluted USP30 was added to the compound. Enzyme and compound were incubated for 30 min at room temp. Reactions were initiated by the addition of 50 nM of TAMRA labelled peptide linked to ubiquitin via an isopeptide bond as fluorescence polarisation substrate. Reactions were read immediately after addition of substrate and following a 2-hour incubation at room temperature. Readings were performed on a Pherastar Plus (BMG Labtech). λ Excitation 540 nm; λ Emission 590 nm.
12639	1	Inhibition test of compounds on 15-PGDH enzyme	15-PGDH (R&D Systems, Cat. No.: 5660-DH-010) was prepared to twice the final concentration, i.e., 30 nM, using Assay Buffer (50 mM Tris-HCl, pH 7.5, 0.01vol % Tween 20). The obtained mixture was then added to a 384-well white plate (Cisbio Bioassays, Cat. No. 66PL384025) at 8 μL/well. Negative control wells (with Assay Buffer only and without enzyme) were set. The compound was then prepared to 4 times the final concentration using Assay Buffer, i.e., diluted 3-fold to 10 concentrations starting from 4000 nM. The obtained mixture was added to the above white plate at 4 μL/well, mixed well, centrifuged at 1000 rpm for 1 minute, and incubated at 25° C. for 10 minutes. Both positive control wells (with 15-PGDH only) and negative control wells (without 15-PGDH) were set. A mixture of NAD+(Select, Cat. No. S2518) and PGE2 (R&D Systems, Cat. No.: 2296/10) was then prepared using Assay Buffer. NAD+ and PGE2 were prepared to four times their final concentrations, i.e., 2 mM and 0.12 mM, respectively, using Assay Buffer. The obtained mixture was then added to the above white plate at 4 μL/well, mixed well, centrifuged at 1000 rpm for 1 minute, and incubated at 25° C. for 30 minutes for the reaction. The fluorescence was detected at an excitation wavelength of 340 nm and an emission wavelength of 485 nm using instrument TECAN SPARK 20M.
12640	1	Molecular Level Activity Test of Anti-Apoptotic Protein BCL2	The detection of the binding ability between anti-apoptotic protein BCL2 and pro-apoptotic protein Bim was performed using Homogeneous Time-Resolved Fluorescence technology. The reaction of this method occurred in a white shallow 384-well plate, with a total reaction volume of 10 μL. Specifically, it included 2 μL of the compound to be tested (2% DMSO), 4 μL His-tagged recombinant protein, and 4 μL Biotin-tagged BIM protein peptide. After 1 hour of reaction, 5 μL of each Anti-His and streptavidin-tagged XL665 antibody diluents diluted with a detection buffer were added. After incubating at room temperature for 4 hours, the values were read using the Envision multifunctional microplate reader to detect the effect of the compound to be tested on the binding ability of BCL2 to Bim protein peptides. The Envision parameter settings were exciting light at 320 nm, and emitting light at 615 nm and 665 nm. The binding ability of anti-apoptotic proteins to Bim protein peptides was indirectly reflected by the signal ratio of 665 nm and 615 nm. In the reaction, background wells without BCL2 and active wells for full binding of recombinant proteins without compounds and Bim protein peptides were set up.
12640	2	Molecular Level Activity Test of Anti-Apoptotic Protein BCL2 (G101V)	The detection of the binding ability between anti-apoptotic protein BCL2 (G101V) and pro-apoptotic protein Bim was performed using Homogeneous Time-Resolved Fluorescence technology. The reaction of this method occurred in a white shallow 384-well plate, with a total reaction volume of 10 μL. Specifically, it included 2 μL of the compound to be tested (2% DMSO), 4 μL His-tagged recombinant protein, and 4 μL Biotin-tagged BIM protein peptide. After 1 hour of reaction, 5 L of each Anti-His and streptavidin-tagged XL665 antibody diluents diluted with a detection buffer were added. After incubating at room temperature for 4 hours, the values were read using the Envision multifunctional microplate reader to detect the effect of the compound to be tested on the binding ability of BCL2 (G101V) to BIM protein peptides. The Envision parameter settings were exciting light at 320 nm, and emitting light at 615 nm and 665 nm. The binding ability of anti-apoptotic proteins to Bim protein peptides was indirectly reflected by the signal ratio of 665 nm and 615 nm. In the reaction, background wells without BCL2 and active wells for full binding of recombinant proteins without compounds and Bim protein peptides were set up.
12640	3	Molecular Level Activity Test of BCL2 (D103Y)	The detection of the binding ability between anti-apoptotic protein BCL2 (D103Y) and pro-apoptotic protein Bim was performed using Homogeneous Time-Resolved Fluorescence technology. The reaction of this method occurred in a white shallow 384-well plate, with a total reaction volume of 10 μL. Specifically, it included 2 μL of the compound to be tested (2% DMSO), 4 μL His-tagged recombinant protein, and 4 μL Biotin-tagged BIM protein peptide. After 1 hour of reaction, 5 μL of each Anti-His and streptavidin-tagged XL665 antibody diluents diluted with a detection buffer were added. After incubating at room temperature for 4 hours, the values were read using the Envision multifunctional microplate reader to detect the effect of the compound to be tested on the binding ability of BCL2 (D103Y) to BIM protein peptides. The Envision parameter settings were exciting light at 320 nm, and emitting light at 615 nm and 665 nm. The binding ability of anti-apoptotic proteins to Bim protein peptides was indirectly reflected by the signal ratio of 665 nm and 615 nm. In the reaction, background wells without BCL2 and active wells for full binding of recombinant proteins without compounds and Bim protein peptides were set up.
12640	4	BCL-XL Enzyme Molecular Level Activity Test	In a white shallow 384-well plate, a total reaction volume was 10 μL. Specifically, it included 2 μL of the compound to be tested (2% DMSO), 4 L His-tagged recombinant protein, and 4 μL Biotin-tagged BIM protein peptide. After 1 hour of reaction, 5 μL of each Anti-His and streptavidin-tagged XL665 antibody diluents diluted with a detection buffer were added. After incubating at room temperature for 4 hours, the values were read using the Envision multifunctional microplate reader to detect the effect of the compound to be tested on the binding ability of BCL-XL to BIM protein peptides. The Envision parameter settings were exciting light at 320 nm, and emitting light at 615 nm and 665 nm. The binding ability of anti-apoptotic proteins to Bim protein peptides was indirectly reflected by the signal ratio of 665 nm and 615 nm. In the reaction, background wells without BCL2 and active wells for full binding of recombinant proteins without compounds and Bim protein peptides were set up.
12640	5	CYP3A4 Enzyme Inhibitory Activity	The inhibitory activity of compounds on human CYP3A4 enzyme was detected using a VIVID™ CYP3A4 GREEN SCRNING KIT reagent kit. The Vivid™ CYP450 screening kit includes a Vivid™ substrate, Vivid™ fluorescence standard, reaction buffer, Vivid™ regeneration system, NADP+ and CYP450 BACULOSOMES™ Plus reagent. Operations were performed following the instructions, and a blank control group was set up without adding any compounds.
12641	1	WRN (BV08) ADP-Glo Assay	Bovine skin gelatin (BSG), dimethyl sulfoxide (DMSO), Pluronic F-127 and tris(2-carboxyethyl)phosphine hydrochloride solution (TCEP) were purchased from Sigma-Aldrich (St. Louis, MO) at the highest level of purity possible. Bicine buffer solution was purchased from Alfa Aesar (Tewksbury, MA) and compound NSC-617145 was purchased from Tocris (Minneapolis, MN). DNA duplex was synthesized at BGI (Shenzhen, China) and was composed of strand 1 with the sequence 5′-GCACTGGCCGTCGTTTTACGGTCG-3′ (SEQ ID NO.: 1) and strand 2 with the sequence 5′-TCCAAGTAAAACGACGGCCAGTGC-3′ (SEQ ID NO.: 2). DNA strands were annealed by heating to 95° C. for 5 minutes followed by slow cooling to room temperature. Compounds in 100% DMSO (0.1 μl) were spotted into a 384-well white polystyrene Optiplate-384 (Perkin Elmer; Waltham, MA) assay plate using a LabCyte Echo 550 (Agilent; Santa Clara, CA). DMSO (0.1 μl) was added to columns 12, rows A-H and column 24, rows I-P for the maximum signal control. Compound NSC-617145 (0.1 μl) was added to columns 12, rows I-P and 24, rows A-H for the minimum signal control (100% inhibition). Compounds/DMSO were preincubated for 15 minutes at 25° C. with 5 μl 2×WRN (BV08), prepared as described below, in assay buffer containing 20 mM Bicine (pH=7.5), 1 mM MgCl2, 10 mM KCl, 0.1% Pluronic F-127, 0.005% BSG, 1 mM TCEP. The reaction was initiated by the addition of 5 μl 2× substrate mixture in assay buffer and incubated for 60 minutes at 25° C. The final concentrations of the assay components were 0.15 nM WRN, 5 μM ATP, and 0.1 nM DNA duplex. The final DMSO concentration was 1% and the reference compound concentration (NSC-617145) used for the minimal signal control was 20 μM.
12642	1	A2A Tag-Lite HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-lite® Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement. 
12643	1	Biochemical Assay Against EGFR L858R/C797S Protein (EGFR LR/CS)	The inhibitory activity of the compounds disclosed herein were measured in a biochemical assay utilizing a recombinant human EGFR L858R/C797S double mutant protein, utilizing detection of chelation-enhanced fluorescence using the sulfonamido-oxine (Sox) chromophore covalently attached to an optimized kinase substrate.The following materials were used: EGFR L858R C797S (Carna Biosciences, Cat #08-563); phosphosens peptide substrate (AssayQuant, Cat #AQT0794); adenosine triphosphate (ThermoFisher, Cat #R0441); assay Buffer: 50 mM HEPES, pH=7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% BSA, 0.01% Brij-35, 1 mM DTT; 384-well Polypropylene Plates (Greiner Cat #781201); 384-well Black Low Volume Plates (Greiner Cat #784076); TopSeal-A Plus (PerkinElmer Cat #6050185); Dimethyl Sulfoxide (Sigma, Cat #D2650); 1 M HEPES (VWR Chemicals, Cat #J848); 2M Magnesium Chloride (Quality Biological, Cat #340-034-721); 0.5M Ethylene Glycol Tetra Acetic Acid (Alfa Aesar, Cat #J60767); 30% Bovine Albumin, Fraction V (Alfa Aesar, Cat #165569); 10% Brij-35, (EMD Millipore, Cat #203728); 1M Dithiothreitol, (Invitrogen, Cat #P2325)In Row A of a 384-well polypropylene plate, was added 48 μL of DMSO. In wells A1 and A24, were added 12 μL of DMSO. Column 1 (16 replicates) served as enzyme+DMSO total signal (0% inhibition). Column 24 (16 replicates) served as no enzyme+DMSO background (100% inhibition). To a well in Row A were added 12 μL of each 10 mM test compound stock (100% DMSO). The master compound plate was transferred to the Bravo and run the “PPAR FRET cmpd serial dilution and intermediate dilution.pro” protocol to generate 16-point serial dilutions (3.16× or 0.5 log dilutions) of each compound. The final intermediate dilution plate contained 4×16-point compound serial dilutions in assay buffer. The DMSO concentration was 10%. The intermediate compound dilution plate was transferred to the Bravo and the “5 uL dispense into ARP.pro” protocol was run. To the black low volume assay ready plates, were added 5 μL of 40 uM Phosphosens peptide sensor/4 mM ATP working solution to each well. The plates were spun for 1 minute at 1200 rpm in an Eppendorf 5810R table-top centrifuge. Next, 10 μl of 2.0 nM EGFR L858R/C797S working solution was added to all wells in columns 1-23. To column 24, was added 10 μL of assay buffer. The final DMSO concentration was 2.5%. The plates were spun for 1 minute at 1200 rpm in an Eppendorf 5810R table-top centrifuge.
12643	2	Biochemical Assay Against EGFR Exon 19 Deletion/C797S Protein (EGFR d19/CS)	The inhibitory activity of the compounds disclosed herein were measured in a biochemical assay utilizing a recombinant human EGFR exon 19 deletion/C797S double mutant protein, utilizing detection of chelation-enhanced fluorescence using the sulfonamido-oxine (Sox) chromophore covalently attached to an optimized kinase substrate.The following materials were used: EGFR d19-C797S (Carna Biosciences, Cat #08-564) phosphosens peptide substrate (AssayQuant, Cat #AQT0794); adenosine triphosphate (ThermoFisher, Cat #R0441); assay Buffer: 50 mM HEPES, pH=7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% BSA, 0.01% Brij-35, 1 mM DTT; 384-well Polypropylene Plates (Greiner Cat #781201); 384-well Black Low Volume Plates (Greiner Cat #784076); TopSeal-A Plus (PerkinElmer Cat #6050185); Dimethyl Sulfoxide (Sigma, Cat #D2650); 1 M HEPES (VWR Chemicals, Cat #J848); 2M Magnesium Chloride (Quality Biological, Cat #340-034-721); 0.5M Ethylene Glycol Tetra Acetic Acid (Alfa Aesar, Cat #J60767); 30% Bovine Albumin, Fraction V (Alfa Aesar, Cat #165569); 10% Brij-35, (EMD Millipore, Cat #203728); 1M Dithiothreitol, (Invitrogen, Cat #P2325)In Row A of a 384-well polypropylene plate, was added 48 μL of DMSO. In wells A1 and A24, were added 12 μL of DMSO. Column 1 (16 replicates) served as enzyme+DMSO total signal (0% inhibition). Column 24 (16 replicates) served as no enzyme+DMSO background (100% inhibition). To a well in Row A were added 12 μL of each 10 mM test compound stock (100% DMSO). The master compound plate was transferred to the Bravo and run the “PPAR FRET cmpd serial dilution and intermediate dilution.pro” protocol to generate 16-point serial dilutions (3.16× or 0.5 log dilutions) of each compound. The final intermediate dilution plate contained 4×16-point compound serial dilutions in assay buffer. The DMSO concentration was 10%. The intermediate compound dilution plate was transferred to the Bravo and the “5 uL dispense into ARP.pro” protocol was run. To the black low volume assay ready plates, were added 5 μL of 40 uM Phosphosens peptide sensor/4 mM ATP working solution to each well. The plates were spun for 1 minute at 1200 rpm in an Eppendorf 5810R table-top centrifuge. Next, 10 μl of 2.0 nM EGFR d19/C797S working solution was added to all wells in columns 1-23. To column 24, was added 10 μL of assay buffer. The final DMSO concentration was 2.5%. The plates were spun for 1 minute at 1200 rpm in an Eppendorf 5810R table-top centrifuge. The final concentrations of EGFR d19/C797S, Phosphosens peptide substrate and ATP were 0.25 nM, 10 μM and 1 mM respectively. 
12644	1	Inhibitory Activity for EGFR (WT) Kinase	A 50 ng/μL EGFR (WT, Carna) stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67× working solution at 0.005 ng/μL (final concentration: 0.003 ng/μL) was added to each well. Different compounds dissolved in DMSO were added to the wells using a nanoliter pipettor, resulting in the final concentrations of the compounds of 100 nM to 0.0244 nM (4-fold gradient for 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set, 2 replicate wells for each concentration. After enzyme was reacted with the compound or vehicle for 30 min, 5×ATP at 25 μM (final concentration: 5 μM, Sigma) prepared with a kinase buffer was mixed with 5× substrate at 0.5 μM (final concentration: 0.1 μM, ULight-poly GT, PerkinElmer) at a ratio of 1:1 (v:v), and the mixture was added to each well at 4 μL/well. After being sealed with a film, the plate was incubated at room temperature for 2 h, and then 5 μL of 4×EDTA at 40 mM (final concentration: 10 mM) was added to each well. After the plate was incubated for 5 min at room temperature, 5 μL of 4× detection reagent at 8 nM (final concentration: 2 nM, Eu-anti-phospho-tyrosine antibody, PerkinElmer) was added to each well.
12644	2	Inhibitory Activity for EGFR (L858R/T790M) Kinase	A 50 ng/μL EGFR (L858R/T790M, Carna) stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67× working solution at 0.004175 ng/μL (final concentration: 0.0025 ng/μL) was added to each well. Different compounds dissolved in DMSO were added to wells using a nanoliter pipettor, resulting in the final concentrations of the compounds of 10 nM to 0.0024 nM (4-fold gradient, 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set, 2 replicate wells for each concentration. After enzyme was reacted with the compound or vehicle for 30 min, 5×ATP at 25 μM (final concentration: 5 μM, Sigma) prepared with a kinase buffer was mixed with 5× substrate at 0.5 μM (final concentration: 0.1 μM, ULight-poly GT, PerkinElmer) at a ratio of 1:1 (v:v), and the mixture was added to each well at 4 μL/well. After being sealed with a film, the plate was incubated at room temperature for 2 h, and then 5 μL of 4×EDTA at 40 mM (final concentration: 10 mM) was added to each well. After the plate was incubated for 5 min at room temperature, 5 μL of 4× detection reagent at 8 nM (final concentration: 2 nM, Eu-anti-phospho-tyrosine antibody, PerkinElmer) was added to each well. After being incubated at room temperature for 1 h, the plate was read using a PerkinElmer Envision multi-mode microplate reader (excitation: 320 nm, emission: 665 nm), and IC50 was calculated by four-parameter fitting.
12644	3	Inhibitory Activity for EGFR (d746-750 (d19)/T790M) Kinase	A 50 ng/μL EGFR (d746-750/T790M, Carna) stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67× working solution at 0.005 ng/μL (final concentration: 0.003 ng/μL) was added to each well. Different compounds dissolved in DMSO were added to the wells using a nanoliter pipettor, resulting in the final concentrations of the compounds of 10 nM to 0.0024 nM (4-fold gradient for 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set, 2 replicate wells for each concentration. After enzyme was reacted with the compound or vehicle for 30 min, 5×ATP at 25 μM (final concentration: 5 μM, Sigma) prepared with a kinase buffer was mixed with 5× substrate at 0.5 μM (final concentration: 0.1 μM, ULight-poly GT, PerkinElmer) at a ratio of 1:1 (v:v), and the mixture was added to each well at 4 μL/well. After being sealed with a film, the plate was incubated at room temperature for 2 h, and then 5 μL of 4×EDTA at 40 mM (final concentration: 10 mM) was added to each well. After the plate was incubated for 5 min at room temperature, 5 μL of 4× detection reagent at 8 nM (final concentration: 2 nM, Eu-anti-phospho-tyrosine antibody, PerkinElmer) was added to each well. After being incubated at room temperature for 1 h, the plate was read using a PerkinElmer Envision multi-mode microplate reader (excitation: 320 nm, emission: 665 nm), and IC50 was calculated by four-parameter fitting.
12644	4	Inhibitory Activity for EGFR (L858R/T790M/C797S) Kinase	A 50 ng/μL EGFR (L858R/T790M/C797S, BPS) stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67× working solution at 0.00167 ng/μL (final concentration: 0.001 ng/μL) was added to each well. Different compounds dissolved in DMSO were added to wells using a nanoliter pipettor, resulting in the final concentrations of the compounds of 10 nM to 0.0024 nM (4-fold gradient, 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set, 2 replicate wells for each concentration. After enzyme was reacted with the compound or vehicle for 30 min, 5×ATP at 25 μM (final concentration: 5 μM, Sigma) prepared with a kinase buffer was mixed with 5× substrate at 0.5 μM (final concentration: 0.1 μM, ULight-poly GT, PerkinElmer) at a ratio of 1:1 (v:v), and the mixture was added to each well at 4 μL/well. After being sealed with a film, the plate was incubated at room temperature for 2 h, and then 5 μL of 4×EDTA at 40 mM (final concentration: 10 mM) was added to each well. After the plate was incubated for 5 min at room temperature, 5 μL of 4× detection reagent at 8 nM (final concentration: 2 nM, Eu-anti-phospho-tyrosine antibody, PerkinElmer) was added to each well. After being incubated at room temperature for 1 h, the plate was read using a PerkinElmer Envision multi-mode microplate reader (excitation: 320 nm, emission: 665 nm), and IC50 was calculated by four-parameter fitting.
12644	5	Inhibitory Activity for EGFR (d746-750/T790M/C797S) Kinase	A 50 ng/μL EGFR (d746-750/T790M/C797S, BPS) stock solution was diluted with a kinase buffer (50 mM HEPES, 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, 0.01% Tween 20), and 6 μL of 1.67× working solution at 0.05 ng/μL (final concentration: 0.03 ng/μL) was added to each well. Different compounds dissolved in DMSO were added to the wells using a nanoliter pipettor, resulting in the final concentrations of the compounds of 10 nM to 0.0024 nM (4-fold gradient for 7 concentrations in total), and blank control wells (without enzyme) and negative control wells (with enzyme, plus vehicle DMSO) were set, 2 replicate wells for each concentration. After enzyme was reacted with the compound or vehicle for 30 min, 5×ATP at 25 μM (final concentration: 5 μM, Sigma) prepared with a kinase buffer was mixed with 5× substrate at 0.5 μM (final concentration: 0.1 μM, ULight-poly GT, PerkinElmer) at a ratio of 1:1 (v:v), and the mixture was added to each well at 4 μL/well. After being sealed with a film, the plate was incubated at room temperature for 2 h, and then 5 μL of 4×EDTA at 40 mM (final concentration: 10 mM) was added to each well. After the plate was incubated for 5 min at room temperature, 5 μL of 4× detection reagent at 8 nM (final concentration: 2 nM, Eu-anti-phospho-tyrosine antibody, PerkinElmer) was added to each well. After being incubated at room temperature for 1 h, the plate was read using a PerkinElmer Envision multi-mode microplate reader (excitation: 320 nm, emission: 665 nm), and IC50 was calculated by four-parameter fitting.
12645	1	PARP-1 Enzyme Activity Assay	PARP-1 chemical fluorescence detection kit was purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation, the plate was washed three times with PBST (0.05% Tween-20). 100 μL of the blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation, the plate was washed three times with PBST. 2.5 μL of compounds at different concentrations diluted in test buffer and 12.5 μL of substrate mixed solution (1.25 μL 10×PARP test buffer; 1.25 μL 10×PARP test mixed solution; 2.5 μL Activated DNA, 7.5 μL double-distilled water) were added to the microwell plate. The PARP-1 enzyme was diluted to 2 ng/μL, 10 μL of the diluent was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes.After the incubation, the plate was washed three times with PBST. Streptavidin-HRP was diluted 50× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were mixed at a ratio of 1:1 (v/v), 50 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read.
12645	2	PARP2 and PARP7 Enzyme Activity Assay	PARP2 and PARP7 chemical fluorescence detection kits were both purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation, the plate was washed three times with PBST (0.05% Tween-20). 100 μL of the blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation, the plate was washed three times with PBST. 2.5 μL of compound 4 diluted in test buffer and 5 μL of substrate mixed solution were added to the microwell plate. 5 μL of the diluted PARP enzyme was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes.After the incubation, the plate was washed three times with PBST. Streptavidin-HRP was diluted 50× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were mixed at a ratio of 1:1 (v/v), 25 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read.The inhibition rate was calculated according to formula [(1−(RLUsample−RLUmin)/(RLUmax−RLUmin))×100%], where RLUsample was the readout of the compound well, RLUmax was the readout of the solvent control well, and RLUmin was the readout of the control well without the PARP1 enzyme. Curve fitting was performed by four parameters (log(inhibitor) vs. response—Variable slope) using GraphPad Prism software, and the IC50 value was calculated.
12646	1	KRAS G12D/cRAF Binding Assay	(1) Compound was prepared with DMSO, and diluted by 3-fold gradient with DMSO.(2) 0.1 μl of serial dilutions of the compound was added to a 384-well plate.(3) 5 μl of Tag2-KRASG12D&GTP at a specific concentration was added to the 384-well plate, and the plate was centrifuged at 1000 rpm for 1 min.(4) Then 5 μl of Tag1-cRAF at a specific concentration was added to the 384-well plate, and the plate was centrifuged at 1000 rpm for 1 min.(5) The plate was incubated at 25° C. for 15 min.(6) 10 μl of the mixture of anti-Tag1-Tb3+ and anti-Tag2-XL665 was added to the 384-well plate.(7) The plate was centrifuged at 1000 rpm for 1 min and incubated at 4° C. for 3 h.(8) The 665/615 nm ratio was read by a microplate reader.(9) Data analysis: The log value of the compound concentration was taken as the abscissa, and the 665/615 nm ratio was used as the ordinate, the data were analyzed by GraphPad Prism 8.0 software.
12646	2	KRAS G12D/SOS1 Binding Assay	(1) Compound was prepared with DMSO, and diluted by 3-fold gradient with DMSO.(2) 0.1 μl of serial dilutions of the compound was added to a 384-well plate.(3) 5 μl of Tag2-KRASG12D&GTP at a specific concentration was added to the 384-well plate, and the plate was centrifuged at 1000 rpm for 1 min.(4) Then 5 μl of Tag1-SOS1 at a specific concentration was added to the 384-well plate, and the plate was centrifuged at 1000 rpm for 1 min.(5) The plate was incubated at 25° C. for 15 min.(6) 10 μl of the mixture of anti-Tag1-Tb3+ and anti-Tag2-XL665 was added to the 384-well plate.(7) The plate was centrifuged at 1000 rpm for 1 min and incubated at 4° C. for 3 h.(8) The 665/615 nm ratio was read by a microplate reader.(9) Data analysis: The log value of the compound concentration was taken as the abscissa, and the 665/615 nm ratio was used as the ordinate, the data were analyzed by GraphPad Prism 8.0 software.
12647	1	Binding Assay	Binding measurements were performed in parallel sets of either WT/G12D/G12C/G12V KRAS or WT K/H/N RAS proteins in GDP and/or GTPγS-loaded forms.Biacore instrument was desorbed and docked with a Series S Sensor Chip SA. The proteins were diluted to 50 μg/mL with the assay buffer (50 mM HEPES, 150 mM NaCl, 10 μM GDP for GDP-loaded proteins or 10 μM GTPγS for GTPγS-loaded proteins, 5 mM MgCl2, 0.5 mM TCEP, 5% glycerol, 0.02% Tween-20, 2% DMSO, pH 7.2) and immobilized at a flow rate of 3 μL/min at 10° C. with a contact time of 3-10 min. to capture ˜3000-4000 RUs of proteins on the surface. The functionalized surface was then equilibrated with assay buffer for approximately 1 hour. Un-functionalized SA surfaces with no immobilized protein served as reference for binding kinetic analysis. Compound binding kinetics were measured in either multi-cycle or single-cycle kinetic format.
12648	1	Kinase Inhibition Assay	The assay used was the HotSpot assay (Reaction Biology Corp).Compounds were tested in 10-dose IC50 mode with a 3-fold serial dilution starting at 10 μM. Control Compound, Staurosporine, was tested in 10-dose IC50 mode with 4-fold serial dilution starting at 20 μM. Reactions were carried out at 10 μM ATP.ReagentsBase Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO.*Required cofactors are added individually to each kinase reactionReaction Procedure1. The peptide substrate was freshly prepared in Base Reaction Buffer2. Any required cofactors were delivered to the substrate solution above3. The human recombinant Casein kinase 16 was delivered into the substrate solution and gently mixed4. The compounds in DMSO were delivered into the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range), and incubated for 20 minutes at room temperature5. 33P-ATP (specific activity 10 mCi/mL) together with ATP (10 μM) was delivered into the reaction mixture6. The kinase reaction was incubated for 2 hours at room temperature7. The reaction mixtures were spotted onto P81 ion exchange paper8. The kinase activity was detected by measuring 33P-ATP-labelled product peptide using a filter-binding method.
12649	1	FXR Biochemical Assay	Purpose of the Assay:Activation of FXR binding reaction by the compound was detected by the amplified luminescent proximity homogeneous assay (alphascreen).Materials of the Assay:1. Protein: Glutathione-S-transferase-labeled FXR human protein (Invitrogen)2. Coactivator: Biotin-labeled steroid receptor coactivator (Anaspec)3. Detection reagent: Detection kit for the amplified luminescent proximity homogeneous assay (alphascreen) (PerkinElmer)Method of the Assay:1. Dilution of the compound: The test compound was prepared as a 40 μM DMSO solution, and then diluted 3-fold to 10 concentration points. The reference compound was prepared as a 400 μM DMSO solution, and then diluted 1.5-fold to 10 concentration points. The diluted DMSO solution was added to the microwells of a 384-well plate at a volume of 150 nl per well.2. The Glutathione-S-transferase-labeled FXR human protein and the biotin-labeled steroid receptor coactivator were prepared into mixed solutions with concentrations of 0.4 nM and 30 nM, respectively. The mixed solutions were added to the microwells of the 384-well plate at a volume of 15 μL per well, and incubated for 1 hour at room temperature.3. The mixture solution of receptor beads in the detection kit for the amplified luminescent proximity homogeneous assay (alphascreen) was diluted 125-fold, and added to the microwells of the 384-well plate at a volume of 7.5 μL per well. The operation during the assay process was protected from light. The incubation was perfomed at room temperature for 1 hour.4. The mixture solution of donor beads in the detection kit for the amplified luminescent proximity homogeneous assay (alphascreen) was diluted 125-fold, and added to the microwells of the 384-well plate at a volume of 7.5 μL per well. The operation during the assay process was protected from light. The incubation was perfomed at room temperature for 1 hour.5. EC50 assay: Envision was used with excitation at 680 nm, and the absorption signal was read at 520-620 nm.6. Analysis of the data: The data were analyzed with Prism 5.0.
12650	1	Opioid Receptor Binding Assay	The assay buffers used for opioid receptor binding studies were 50 mM Tris HCl (pH 7.4) for KOR, 50 mM Tris HCl (pH 7.4) with 5 mM MgCl2 for MOR, and 50 mM Tris HCl (pH 7.4) with 10 mM MgCl2 plus 1 mM EDTA for DOR. Wash buffer contained 50 mM Tris HCl at pH 7.4. The radio ligands were prepared at the final concentration of 0.5 nM for [3H]DAMGO, 0.5 nM for [3H]diprenorphine, and 0.5 nM for [3H] DADLE, which were used as the competing radioligands for mu, kappa and delta receptors, respectively.
12651	1	 Inhibitory Activity of Human ACC1 and ACC2	The recombinant human ACC1 and the recombinant human ACC2 obtained from the above Preparation Examples were preincubated in an assay buffer (50 mM HEPES-KOH (pH 7.4), 10 mM magnesium chloride, 6 to 10 mM potassium citrate, 4 mM glutathione reduced form, and 1.5 mg/ml bovine serum albumin) for 1 hour. Then, 5 μL of the pre-incubated enzyme solution and 5 μL of a substrate solution (50 mM HEPES-KOH (pH 7.4), 1 mM ATP, 0.8 mM acetyl-CoA, and 25 to 50 mM potassium bicarbonate) were added to a 384-well microplate into which 0.2 μl of each of solutions of the compound of the present invention (DMSO had been dispensed, and the mixture was centrifuged and shaken, and then incubated in a wet box at room temperature for 1 to 3 hours. After incubation, the enzymatic reaction was stopped by addition of EDTA, and then the sample was co-crystallized with an α-cyano-4-hydroxy cinnamic acid (CHCA) matrix on a MALDI target plate, and measurement was performed in a reflector negative mode using a matrix-assisted laser desorption ionization-time-of-flight mass spectrometer (MALDI-TOF MS). Deprotonated ions of the substrate acetyl-CoA (AcCoA) and the reaction product malonyl-CoA (MalCoA) were detected, and the intensity of each signal was used to calculate a conversion rate to malonyl-CoA or succinyl-CoA, i.e., intensity of [MalCoA-H]—/(intensity of [MalCoA-H]-+intensity of [AcCoA.H].). A 50% inhibitory concentration (IC50 value) was calculated from the inhibition rate of the enzyme reaction at each compound concentration.
12652	1	A2A Tag-lite HTRF Assay	Assays were conducted in black low volume 384-well polystyrene plates (Greiner 784076-25) in a final volume of 10 μL. Test compounds were first serially diluted in DMSO and 100 nl added to the plate wells before the addition of other reaction components. The final concentration of DMSO was 1%. Tag-lite® Adenosine A2A labeled cells (CisBio C1TT1A2A) were diluted 1:5 into Tag-lite buffer (CisBio LABMED) and spun 1200 g for 5 mins. The pellet was resuspended at a volume 10.4× the initial cell suspension volume in Tag-lite buffer, and Adenosine A2A Receptor Red antagonist fluorescent ligand (CisBio L0058RED) added at 12.5 nM final concentration. 10 ul of the cell and ligand mix was added to the assay wells and incubated at room temperature for 45 minutes before reading on a PHERAstar FS plate reader (BMG Labtech) with HTRF 337/620/665 optical module. Percent binding of the fluorescent ligand was calculated; where 100 nM of A2A antagonist control ZM 241385 (Tocris 1036) displaces the ligand 100% and 1% DMSO has 0% displacement.
12653	1	Test for Activity of Compounds in Inhibiting Lp(a) Assembly	Experimental steps: Equal amounts of Apo(a) and ApoB serum were mixed with a serially diluted test compound (highest concentration at 100 nM, serially diluted 3-fold). The mixture was incubated in a 37° C. incubator for 2 h. The reaction was then terminated by adding 6-aminocaproic acid (EACA, purchased from Sigma) to a final concentration of 150 mM. The post-reaction solution was then added to an ELISA plate pre-coated with ApoB-Capture antibody, and the plate was incubated at room temperature for 2 h. Then the plate was washed 4 times with wash buffer; biotinylated Apo(a)-Detector antibody was added, and the plate was incubated at room temperature for 1 h. The plate was washed, and the chromogenic substrate 3,3′,5,5′-tetramethylbenzidine (TMB, purchased from Abcam) solution was added. After the plate was incubated at room temperature for 15 min, a reaction stop solution was added. Immediately after the solution was mixed well, the absorbance at 450 nm was measured using a microplate reader. Finally, data analysis and IC50 calculation were performed using GraphPad Prism 9 software.
12654	1	VNN1 Inhibitor Binding Assay	Table 1 and 5: Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements were distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions were performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12654	2	Cytochrome P450 Inhibition of VNN1 Inhibitors	Table 3 and 4: The cocktail was incubated in human liver microsome with NADPH regenerating system (NRS) in a shaking bath at 37±2° C. The formation of specific metabolites was monitored by LC/MS/MS. Test compound was added to the cocktail-liver microsome mixture at varying concentrations and its effect on cytochrome P450 activity was determined by analyzing the rate of specific metabolite formation. The percent inhibition was calculated and plotted with reference to the concentration, and the IC50 value for inhibition was derived by fitting the data with a standard sigmoidal dose-response equation via MLA “Quest Graph™ ED50 Calculator.” AAT Bioquest, Inc, 17 Sep. 2020, aatbio.com/tools/ed50-calculator. IC50 values were obtained only when the data fit in the curve, and if the % inhibition was less than 50% at 100 μM, then IC50 will be >100 μM. The reliability of the inhibition assay was established by confirming the inhibition of known inhibitors on different P450 enzymes. 
12655	1	VEGFA ELISA Assay	786-O cells in the logarithmic growth phase were inoculated into a 96-well plate at a cell concentration of 65,000 cells per ml of culture liquid, 180 μL per well. The compounds were diluted to the corresponding concentrations, and 20 μL of compound solutions of various concentrations were added to the corresponding cell wells, so that the final concentrations of the compounds were 1.5 nM, 4.6 nM, 13.7 nM, 41.2 nM, 123.5 nM, 370.4 nM, 1111.1 nM, 3333.3 nM, and 10000 nM, respectively. After culturing for 24 h, the cell culture supernatant was collected and the VEGFA concentration was determined using an ELISA kit (purchased from Abeam). Finally, the reaction was terminated and the absorbance value of each well was measured at a wavelength of 450 nm using an ELISA reader.
12656	1	Inhibitory Effects of Compounds on KRAS-G12C/SOS1	Experimental reagents: KRASG12C/SOS binding kit (Cisbio, cat. 63ADK000CB16PEG); DMSO (Sigma, cat. D8418-1L); and 384-well white plate (PerkinElmer, cat. 6007290)Experimental Method1. Preparation of compounds: the test compounds were dissolved in 100% DMSO to obtain 10 mM stock solutions and the stock solutions were stored in a refrigerator in the dark.2. Kinase reaction process:Preparation of compounds: the test compounds had the concentration of 5,000 nM and diluted in a 384-well plate into a 100% DMSO solution at the 200-fold final concentration, and the compounds were diluted 3-fold with 10 concentrations. 50 nL of the compounds at the 200-fold final concentration were transferred to the plate of interest, the 384-well plate, using a dispenser Echo 550. 50 nL of 100% DMSO was added to each negative control well and positive control well.A Tag1-SOS1 solution at the 4-fold final concentration was prepared using a diluent buffer.2.5 μL of the Tag1-SOS1 solution at the 4-fold final concentration was added to the 384-well plate.A Tag2-KRAS-G12C solution at the 4-fold final concentration was prepared using the diluent buffer.2.5 μL of the Tag2-KRAS-G12C solution at the 4-fold final concentration was respectively added into compound wells and the positive control wells; and 2.5 μL of the diluent buffer was added to the negative control wells.The 384-well plate was centrifuged at 1,000 rpm for 30 seconds, shaken and mixed uniformly, and incubated at room temperature for 15 minutes.An Anti-Tag1-TB3+ solution at the 1-fold final concentration and an Anti-Tag2-XL665 solution at the 1-fold final concentration were prepared using a detection buffer, the two solutions were mixed uniformly to obtain a Mix solution, and 5 μL of the Mix solution was added into each well.
12657	1	In Vitro Enzyme Inhibition Activity Assay	The purpose of this experiment was to test the in vitro inhibitory activity of the compounds against LSD1. The human recombinant LSD1 protein used in the experiment was purchased from Active Motif, and the enzyme level activity testing assay of LSD1 was performed using the Lance Ultra LSD1 Histone H3 Lysine 4 Demethylase Assay Kit (PerkinElmer). Tris-buffer (50 mMTris-HCl, 50 mMNaCl, 0.01% Tween-20, 1 mM DTT, 10 μM FAD, 10% glycerol, pH 9.0) was first prepared, and after preparation, the LSD1 fractions required for test were placed in this buffer and incubated for one hour at room temperature; the fractions included 4 μL of substrate solution (2.5 μL Bio-H3K4me2, 1-24aa), 4 μL of enzyme solution (4 nM LSD1), and 2 μL of inhibitor in a 384-well microplate. After these operations, another 5 μL of assay mixture containing Eu-labeled H3K4me0 antibody and ULight-Streptavidin anti-biotin protein was added to the system, after which the fluorescence intensity of the components to be tested was detected by using Envision (PerkinElmer) in TR-FRET mode (excitation wavelength of 320 nm, emission wavelength of 620 nm). The test was repeated a total of three times to minimize errors. The final IC50 data were calculated by the software GraphPad Prism 5, and finally the sigmoidal dose-response (variable slope) method was used to obtain the fitted curve.
12658	1	TRPA1 Inhibitory Activity Assay	Ion Works Barracuda (IWB) automated patch clamp detection was used as test method: HEK293 cells stably expressing TRPA1 were placed in DMEM medium containing 15 μg/mL Blasticidin S HCl, 200 μg/mL Hygromycin B and 10% FBS in the T175 culture flask, and cultured in 37° C., 5% CO2 incubator. When the cell density reached about 80%, the culture medium was removed, rinsed with phosphate buffered saline (PBS) without calcium and magnesium. 3 mL of Trypsin was added to digest for 2 min, 7 mL of culture medium was added to terminate the digestion. The cells were collected to 15 mL centrifuge tube and centrifuged at 800 rpm for 3 min. After the supernatant was removed, the cells were added to appropriate volume of extracellular fluid for re-suspending, and the cell density was controlled at 2-3×106/mL for IWB experiment. Extracellular fluid formulation (in mM): 140 NaCl, 5 KCl, 1 MgCl2, 10 HEPES, 0.5 EGTA, 10 Glucose (pH 7.4); intracellular fluid formulation (in mM): 140 CsCl, 10 HEPES, 5 EGTA, 0.1 CaCl2, 1 MgCl2 (pH 7.2). 28 mg/mL of amphotericin B was freshly prepared with DMSO on the day of experiment, and then final concentration of 0.1 mg/mL was prepared with intracellular fluid.Population patch clamp (PPC) plate was used in IWB experiment. The entire detection process was automatically carried out by the instrument.
12659	1	Fluorescence Resonance Energy Transfer Assay	In this experiment, the activity of SARS-COV-2 3CLpro/Mpro protease was detected by fluorescence resonance energy transfer, and the half inhibitory concentration IC50 of the compound on SARS-COV-2 3CLpro/Mpro protease was obtained.1. Experimental MaterialsNovel coronavirus Mpro/3CLpro inhibitor screening kit (P0315M), purchased from Beyotime Biotechnology:2. Experimental Method1) The enzyme solution was prepared with reaction buffer, 49.5 μL enzyme solution was added into each well, and 49.5 μL reaction buffer was added into Min-well.2) The IC50 of the compound was detected, and the final concentration of the test was starting from 10 μM, 3-fold dilution, 10 concentrations, and each concentration was set up for multiple well testing. The compound to be tested was diluted into a solution of 200-fold final concentration, and 250 nL gradient diluted compound to be tested was added into the 384-well reaction plate by D300e (TECAN) ultramicro sampler, 250 nL 100% DMSO was transferred into both Max-well and Min-well.3) The reaction plate was incubated on ice for 10 minutes.4) 250 nL substrate solution was added into each well by D300e (TECAN).5) The reaction plate was centrifuged at 1000 rpm for 1 min, and the fluorescence signal was read continuously for 30 minutes by Envision microplate reader (PerkinElmer).6) GraphPad Prism 8 software was used to analyze data and calculate the IC 50 of the compound.
12660	1	MAT2A Biochemical Assay	Enzyme Reaction(1). Prepared 1×Assay buffer.(2). Preparation of compound concentration gradient: the compounds test condition were 1 uM start, 3-fold dilution, 10 doses, singlet or duplicate. 100× concentration compounds were prepared in 384-well plate. Then used Echo 550 to transfer 250 nl to a 384-reaction plate for later use. Added 250 nl of 100% DMSO to the negative and positive control wells.(3). Prepared 1.67× final concentration enzyme solution with 1×Assay buffer.(4). Added 15 μl of 1.67× Enzyme solution to the compound wells and positive control wells; added 15 μl of 1 Assay buffer to the negative control wells.(5). Centrifuged at 1000 rpm for 30 seconds and incubate for 15 minutes.(6). Prepared 2.5× final concentration Substrate mix solution with 1×Assay buffer.(7). Added 10 μl of 2.5× final concentration Substrate mix solution to start the reaction.(8). Centrifuged at 1000 rpm for 30 seconds and incubate for 150 minutes.(9). Added 50 μl Biomol Green to stop the reaction, centrifuge at 1000 rpm for 30 seconds and incubate for 15 minutes. read O.D.620, process data.
12661	1	PARG Enzyme Inhibition Assay	PARG in vitro assays were conducted in standard 384-well plates in a total volume of 15 μL. 5 μL of PARG (389-976) (manufactured by Chempartner Chemical Co., Ltd.) in buffer (50 mM Tris-HCL 7.5, 30 mM KCl, 1 mM EDTA, 3 mM DTT, tween-20 0.01%, BSA 0.025%) was added at a final concentration of 1.5 pM to the 384-well plates containing the compounds to be tested, which was incubated for 30 min at room temperature. To the above mixture was added 5 μL Bio PARylated His-TEV-PARP1(2-1014) substrate (manufactured by Chempartner Chemical Co., Ltd.) at a final concentration of 12 nM, after addition, the resulting mixture was incubated for 30 minutes at room temperature. Then to the mixture was added detection reagent (5 μL) which was buffered with 50 mM Tris-HCL 7.5, 30 mM KCl, 1 mM EDTA, 3 mM DTT, tween-20 0.01%, BSA 0.025%, and consisted of 3 μM of compound PDD00017273 and 9 nM Mab anti-6HIS XL665 (Cisbio: 61HISXLA) and 0.9 nM streptavidin affinity terbium cryptate (Cisbio:610SATLA), all at 3× working concentrations (final concentrations of 1 μM, 3 nM and 0.3 nM, respectively). After 120 min incubation in the dark at room temperature, TR-FRET signals were measured at Ex 340 and Em 665 and Em 615.
12662	1	Cbl-b Activity Assay	Experiment purpose: Testing of inhibitory activity of compounds on the interaction between Cbl-b protein and UbcH5B-Ub. Experimental method: Eu-Ubquitin-UbcH5B was prepared by incubating Eu-Ubquitin (Cisbio) with UbcH5B (ENZO), E1 (ENZO) at 37° C. for 4 hours. Eu-Ubquitin-UbcH5B was aliquoted and stored at −80° C. Cbl-b activity assay was performed in 384-well plates (Perkin Elmer). 100 nL of 3-fold serial dilutions of compounds (final concentration 10 μM-0.5 nM, starting concentration 10 μM, 3-fold dilution, 10 points, 10th point being 0.5 nM) and 5 μL of 50 nM Biotin-Cbl-b protein (Sigma) were incubated for 1 hour at room temperature, and the reaction buffer was 50 mM HEPES pH 7.0 (Gibco), 100 mM NaCl (Sigma), 0.01% Triton X-100 (Sigma), 0.01% BSA (Sigma) and 1 mM DTT (Invitrogen). 5 μL of Src mixed solution (40 nM Src (R&D), 2 mM ATP (Sigma), 10 mM MgCl2 (Sigma)) was added to the reaction plate and incubated at room temperature for 3 hours. 10 μL of detection solution (12.5 nM Strepdividin-XL665 (Cisbio), 500 nM Eu-Ubquitin-UbcH5B, 120 nM EDTA (Invitrogen), 0.004% BSA (Sigma)) was added to the reaction plate, incubated overnight at room temperature, and the HTRF signal (665 nm/615 nm) was read on Envision (Perkin Elmer).
12663	1	c-KIT Kinase Chemiluminescence Assay	Test compounds were dispersed into a 384-well low volume while ProxiPlate microplate from a DMSO solution using an ECHO 650 acoustic dispenser to generate a 11-point, 3.162-fold dilution, concentration curve starting at 10 μM in duplicate. Kinase Reaction: The kinase assay was based on the recommended protocol by c-KIT Kinase Enzyme System from Promega. Recombinant human c-KIT kinase in 3 μL of assay buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 μM DTT) was added to the test or high control wells and 3 μL of assay buffer was added to the low control wells. The microplate was centrifuged at 800 rotations per minute (rpm) for 60 s and incubated at room temperature (RT) for 30 min. Next, 2 μL of buffered ATP and polyEY substrate solution was added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 2 h. The final assay contained c-KIT (25 ng), ATP (50 μM), polyEY substrate (0.2 μg/μL), test compounds (0-10 μM) and DMSO (1.7%) in 5 μL assay buffer. ADP detection with ADP-Glo™ Kinase Assay: After the kinase reaction incubation, 5 μL of ADP-Glo™ reagent was added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 40 min. Ten microliter (10 μL) of Kinase Detection Reagent (Luciferin-Luciferase system) was then added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 60 min. Kinase activity was measured as increase in luminescence at RT in an Envision plate reader equipped with 560 nm filters and operating in endpoint mode.
12664	1	TBD	TBD
12665	1	In Vitro Assay of Compounds of the Present Invention for Inhibiting Src Kinase Activity Assay	After the compound serially diluted with DMSO and a Src recombinant protein were incubated at room temperature for 10 min, the reaction was initiated by the addition of a biotin-labeled TK substrate and ATP. After the mixture was left to stand at room temperature for 40 min Sa-XL 665 and a Cryptate-labeled antibody were added. The fluorescence values at 615 nm and 665 nm were measured, and the ratio of 665 nm to 615 nm was calculated.
12666	1	PIKfyve Enzyme Inhibition Assay	For each of the compounds prepared in Examples 1 to 33, the PIKfyve enzyme inhibitory activity was measured by using a QS S Assis PIKFYVE (PIP5K3)_ADP-Glo™ Kit (Cat. #11-118) made by Carna Bioscience. 5 μL of each of human-derived PIKfyve kinase, PI(3)P, and ATP solution was added to a 384-well plate (such that final concentrations of each solution are 375 ng/ml, 10 μm, and 2 μm, respectively). The compound to be evaluated underwent serial dilution according to the set concentrations, and 5 μL of the diluted solution was added to each well and caused a reaction for 60 minutes. MgCl2 was mixed in ADP-Glo™ solution (Promega, Cat. #V9102) to a final concentration of 100 mM, and 20 μL of the mixed solution was added to each well and caused a reaction at room temperature for 40 minutes. 40 μL of kinase detection solution was added to each well and caused a reaction at room temperature for 40 minutes. Then, the luminescence signals were detected by using a Synergy™ NEO microplate analyzer. Well to which no enzyme was added were used as a negative control, whereas wells to which no drug was added were used as a positive control, so as to calculate the enzyme inhibitory ability (%) of drugs. The 50% inhibitor concentration (IC50) values were calculated by using a GraphPad Prism software.
12667	1	KRAS Biochemical Assay	KRAS Biochemical Assay—BODIPY-GDP Exchange TR-FRET. Biochemical compound potencies were assessed by evaluating inhibition of SOS1-mediated nucleotide exchange in KRAS G12D. The SOS1-promoted exchange of fluorescently-labeled GDP (BOPIDY-GDP) was monitored by time-resolved fluorescence resonance energy transfer (TR-FRET). Compounds solubilized in DMSO were dispensed as concentration series into 384-well white assay plates. A preformed complex of biotin-tagged recombinant human KRAS (1.5 nM mutant G12D or wild type) and 0.15 nM terbium-labeled streptavidin (CisBIO) prepared in 10 μL/well assay buffer (20 mM HEPES, pH 7.5, 50 mM NaCl, 10 mM MgCl2, 0.01% Tween-20 and 1 mM dithiothreitol) was added and allowed to incubate for 10-minutes. The reaction was initiated with the addition of 5 μL of 3 nM recombinant human SOS1 and 300 nM BODIPY-GDP in assay buffer. After a 60-minute incubation, the fluorescence was measured with excitation at 337 nm and emission at 490 and 520 nm. The TR-FRET ratio was determined as the fluorescence at 520 nm divided by the fluorescence at 490 nm multiplied by 10,000.
12668	1	LanthaScreen TR-FRET Assay	A LanthaScreen kinase activity assay was conducted to assess WEE1 kinase inhibitory activity for compounds of this disclosure. LanthaScreen Eu time-resolved fluorescence resonance energy transfer (TR-FRET) kinase binding assays (Invitrogen) were performed in 384-well, low-volume plates (Corning) using recombinant WEE1 kinase, Kinase Tracer 178 and LanthaScreen Eu-anti-GST antibody (Invitrogen). Assays were performed at 25° C. in a reaction mixture consisting of 5 μL serially diluted inhibitor solution, 5 μL Kinase Tracer 178 solution, and 5 μL kinase/antibody solution. All reagents were prepared as solutions in 1× kinase buffer A (Invitrogen) at 3× final desired concentration. Inhibitor solutions were prepared such that final DMSO concentrations did not exceed 0.5%, which was shown to have no effect on kinase activity. Inhibitors were assayed in the final concentration range of 0.04 nM to 10 μM. Kinase Tracer 178 was used at a final concentration of 150 nM and the antibody and kinase were used at final concentrations of 3 nM and 5 nM, respectively. All reagents were incubated together for 1 hour at room temperature and read using a PerkinElmer Envision 2104 Multilabel Reader enabled for TR-FRET (Excitation=340 nm; Tracer emission=665 nm; Antibody emission=615 nm; Delay=100 μs; Integration=200 μs). Emission ratios (665 nm/615 nm) were determined for each inhibitor concentration and the data analyzed usinga non-linear regression analysis of the log dose-response curve todetermine IC50 values.
12669	1	BCL-2 Competition Binding (Fluorescence Polarization) Assay	The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD). An unbound Fluorescein labeled BH3 peptide emits random light with respect to the plane of polarization plane of excited light, resulting in a lower polarization degree (mP) value. When the peptide is bound to BCL-2, the complex tumble slower and the emitted light can have a higher level of polarization, resulting in a higher mP value. This binding assay was performed in 96-well plate and with each assay contained 15 and 30 nM of labeled peptide and purified BCL-2 protein (purchased from R&D Systems, Inc). The assay buffer contained 20 mM Hepes (pH 7.0), 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.1 mg/ml Bovine Gamma Globulin and 0.01% NP40. Compounds were diluted in DMSO and added to the final assay with concentration range from 20 μM to 2 nM. The polarization degree (mP) value was determined by BioTek Synergy II with background subtraction after 3 hours of incubation at room temperature. IC50 was calculated using Prism software with sigmoidal dose-response curve fitting. ABT-737 was used as reference compound. Such assays, carried out with a range of doses of test compounds, allowed the determination of an approximate IC50 value.
12670	1	NSDHL Inhibitory Activity Evaluation	An activity assay was performed using a 96-well plate, and an experiment was performed after adding an inhibitor to each well at the final concentrations of 200 μM≤1 μM. Particularly, 50 μl of 16 μM NSDHL, 50 mM HEPES, 20% glycerol were added to each well, and then 50 ul of 50 μM NADH was added to each well, followed by reaction at room temperature for 10 minutes. The fluorescence level of each well was measured using SpectraMax M5 (Molecular Devices) equipment (Ex: 340 nm, Em: 460 nm). The values were corrected by separately measuring the absorbance of the compound and the buffer solution, and the degree of inhibition of each compound against NSDHL was measured based on the NADH fluorescence at the same concentration without binding. IC50 (inhibitory concentration at 50%) was calculated using GraphPad Prism software.
12671	1	CYP7A Inhibition Assay	The direct CYP1A1 inhibitory activity of test compounds was also assessed using the Promega P450-Glo assay system. Seven concentrations of test compound were added to a ½ area white 96 well plate. Cypex CYP6A. bactosomes ([final] 0.5 pmol) and CYPA substrate Luciferin-CEE ([final] 30 μM) were prepared in 0.1M potassium phosphate buffer and incubated with test compounds at 37° C. for 5 minutes. 0.2m NADPH was then added to the plates and incubated at 37° C., for 10 minutes. The reaction was stopped by adding luciferin detection reagent and luminescence was read after 20 minutes.
12672	1	Autotaxin (ATX) Enzyme Activity Inhibition Assay	The inhibitory activities of the compounds on the autotaxin enzyme were detected using the Autotaxin Inhibitor Screening Assay Kit (Cayman, 700580). First, the test compound was prepared as a 10 mM stock solution in DMSO solvent, and then the stock solution was diluted with DMSO to 8 gradient concentrations. Subsequently, the 8 concentrations were diluted with Autotaxin Assay buffer (1×) provided in the kit into 19× compound working solutions (DMSO content was 1.9%). The Autotaxin Assay Reagent (10×) was taken out and diluted by 10 times with Autotaxin Assay Buffer (1×). The Autotaxin Substrate was taken out, dissolved by adding 1.2 mL of Autotaxin Assay Buffer (1×), mixed evenly and stood at room temperature. In a 96-well plate, 150 μL of Autotaxin Assay Buffer (1×), 10 μL of the prepared and diluted 19× compound working solutions, 10 μL of Autotaxin Assay Reagent (1×), and 20 μL of the dissolved Autotaxin Substrate were added to each of the wells for each concentration, and homogenously mixed. The 96-well plate was shaken in a constant temperature shaker at 37° C. and incubated in the dark for 30 min, and then the plate was taken out and placed on a microplate reader to read OD405. The experimental results were input into GraphPad Prism software, and the IC50 of each compound was calculated by fitting.
12672	2	Detection of Inhibitory Effect of Compounds on hERG by Using Full-Automatic Electrophysiological Patch Clamp QPatch	Full-automatic electrophysiological patch clamp QPatch was used to detect the inhibitory effect of compounds on hERG. Cells used in this test were CHO cell line transfected with cDNA of hERG and stably expressing hERG channels (provided by Sophion Bioscience, Denmark), and the cell passage number was P24. The cells were cultured in a medium containing the following components (all purchased from Invitrogen): Ham&#39;s F12 medium, inactivated fetal bovine serum (10% (v/v)), hygromycin B (100 μg/ml), and Geneticin (100 μg/ml). CHO hERG cells were grown in a petri dish containing the above-mentioned medium and cultured in an incubator at 37° C. and containing 5% Co2.
12673	1	TYK2 JH12 Domain Binding Assay	Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMVEscan® assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH12domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site (5′-GGGAATTCCC-3′) fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).
12674	1	TBD	TBD
12675	1	RXFP1 Cyclic Adenosine Monophosphate (CAMP) Assays	Human embryonic kidney cells 293 (HEK293) cells and HEK293 cells stably expressing human RXFP1, were cultured in MEM medium supplemented with 10% qualified FBS, and 300 μg/ml hygromycin (Life Technologies). Cells were dissociated and suspended in assay buffer. The assay buffer was HBSS buffer (with calcium and magnesium) containing 20 mM HEPES, 0.05% BSA, and 0.5 mM IBMX. Cells (3000 cells per well, except 1500 cell per well for HEK293 cells stably expressing human RXFP1) were added to 384-well Proxiplates (Perkin-Elmer). Cells were immediately treated with test compounds in DMSO (2% final) at final concentrations in the range of 0.010 nM to 50 μM. Cells were incubated for 30 min at room temperature. The level of intracellular cAMP was determined using the HTRF HiRange CAMP assay reagent kit (Cisbio) according to manufacturer&#39;s instructions. Solutions of cryptate conjugated anti-cAMP and d2 fluorophore-labelled cAMP were made in a supplied lysis buffer separately. Upon completion of the reaction, the cells were lysed with equal volume of the d2-cAMP solution and anti-cAMP solution. After a 1 h room temperature incubation, time-resolved fluorescence intensity was measured using the Envision (Perkin-Elmer) at 400 nm excitation and dual emission at 590 nm and 665 nm. A calibration curve was constructed with an external cAMP standard at concentrations ranging from 2.7 μM to 0.1 μM by plotting the fluorescent intensity ratio from 665 nm emission to the intensity from the 590 nm emission against cAMP concentrations. The potency and activity of a compound to inhibit cAMP production was then determined by fitting to a 4-parametric logistic equation from a plot of cAMP level versus compound concentrations.
12676	1	Evaluation of Agonist Activity Against GLP-1 Receptor	This experiment was intended to test the agonist activity of the compound molecules against the GLP-1 receptor and evaluate the in vitro activity of the molecules according to EC50. The experiment adopted a ONE-Glo Luciferase Assay System (Promega, E6110). Under the action of compound molecules, GLP-1R downstream signaling pathways were activated to cause elevated cAMP level. The combination of cAMP and CRE could start the transcription expression of CRE downstream luciferase genes, the luciferase could emit fluorescence when reacting with substrates thereof, and the activity of the compound for agonizing GLP-1 receptors was reflected by measuring fluorescence signals through a ONE-Glo reagent.
12678	1	Determination of Affinity of Human D2L Receptors in Competitive Binding Assay Using [3H]raclopride	Test compounds were diluted serially in DMSO and subsequently diluted to 5% DMSO (v/w) in binding buffer (50 mM Tris, 5 mM MgCl2, 5 mM KCl, 1 mM CaCl2, 120 mM NaCl, 1 mM EDTA). A 5× concentrated compound in binding buffer (50 μL) was transferred into 96 well deep-well plates (BRAND, Wertheim, Germany). Aliquoted membrane preparations were thawed and washed once in binding buffer. In the same buffer, 10 μg protein/well was incubated with 2 nM [3H]raclopride (PerkinElmer, Waltham, MA, USA) in the presence or absence of test compound (to determine the binding inhibition of the test compound or the total binding, respectively) for 120 minutes at 25° C. in a volume of 250 μL. Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol, an antagonist of the D2 receptor.
12678	2	Determination of Affinity of Human D2L Receptors in Competitive Binding Assay Using [3H]spiperone	Aliquoted membrane preparations were incubated with 0.16 nM [3H]spiperone (PerkinElmer) in the presence or absence of test compound in 96-well plates for 120 minutes at 25° C. in an incubation buffer containing 50 mM Tris-HCl, 1.4 mM ascorbic acid, 0.001% BSA, 150 mM NaCl, pH 7.4, with 1% DMSO in a final reaction volume of 222 μL. Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol (Sigma-Aldrich). After incubation, samples were filtered over UniFilter® GF/C plates (PerkinElmer), washed and Microscint-20 scintillation cocktail was added. Radioactivity was determined with a MicroBeta2 microplate counter (PerkinElmer).
12678	3	Characterization of Agonism of Human D2L Receptors Using Cyclic Adenosine Monophosphate Detection	Agonist activity at human D2L receptors was assayed by measuring cAMP levels in CHO-K1 cells expressing human D2L receptors (Eurofins DiscoverX, Fremont, CA, USA) by homogenous time-resolved fluorescence (HTRF®) using the cAMP Gi kit (Cisbio/PerkinElmer). CHO-K1 cells expressing human D2L receptors were cultured in Ham&#39;s F12 medium supplemented with 10% FBS, 1% penicillin-streptomycin antimycotic solution, and 800 μg/mL G418 (Thermo Fisher Scientific, Waltham, MA, USA) and maintained at 37° C. in a humidified atmosphere containing 5.0% CO2. For the cAMP measurements, cryopreserved cells were thawed, and seeded in white-walled, half area 96-well plates at 10,000 cells/well in PathHunter® AssayComplete™ Cell Plating 2 (CP2) reagent (Eurofins DiscoverX) and incubated overnight at 37° C. in a humidified atmosphere with 5.0% CO2. Prior to the cAMP measurement, the CP2 reagent was removed from the cells and replaced with 20 μL compound or vehicle containing assay buffer (140 mM NaCl, 5 mM KCl, 2 mM MgCl2, 2 mM CaCl2, 10 mM 2-[4-(2-hydroxyethyl)piperazin-1-yl ]ethane-1-sulfonic acid (HEPES), 10 mM glucose, pH 7.4) supplemented with 100 μM IBMX and incubated at ambient temperature for 20 minutes. After an additional 30-minute incubation step at ambient temperature with 0.5 μM forskolin (Eurofins DiscoverX), cell stimulation was stopped by adding the detection reagents (20 μL cAMP-d2 and 20 μL anti-cAMP cryptate, Cisbio/PerkinElmer) diluted in lysis buffer. The time-resolved fluorescence signal was quantified with a PHERAstar FS multimode reader (BMG Labtech, Ortenberg, Germany) using standard HTRF® settings with laser excitation at 337 nm after 60 minutes of incubation at ambient temperature. Results were calculated from the ratio of acceptor fluorescence signal (A665 nm) and donor fluorescence signal (A620 nm)×104 and expressed as ΔF % values using the following formula: 100×(Ratio Sample−Ratio Negative Control)/Ratio Negative Control. In experiments, all treatments were measured in multiple wells in parallel, and the mean ΔF % values were used for further analysis. Agonist activity values were calculated as percentage of inhibition of forskolin-stimulated cAMP accumulation normalized to the response evoked by a maximally effective concentration of dopamine tested in the same experiment. All calculations were done using Microsoft Excel® (Microsoft, Redmond, WA, USA). The pEC50 values shown in Table 5 (the negative logarithm of the concentration, expressed in mol/liter, of the agonist that produces 50% inhibition of forskolin-stimulated cAMP accumulation) were obtained by fitting 4-parameter sigmoidal curves to the concentration-effect data with the lower asymptote constrained to zero using GraphPad Prism (GraphPad, San Diego, CA, USA). The results indicate that the examples of the present disclosure are potent agonists of the G-protein-coupled signaling pathway of human recombinant D2L receptors.
12678	4	Measurement of beta-arrestin Recruitment to Human Dopamine D2L Receptors	PathHunter CHO-K1 cells expressing tagged human D2L receptors and tagged β-arrestin-2 (Eurofins DiscoverX, Fremont, CA, USA) were seeded into 96-well white-walled clear bottom tissue culture plates in 90 μL/cell AssayComplete™ Cell Plating 2 (CP2) reagent (Eurofins DiscoverX) at a density of 20,000 cells/well. The plates were incubated overnight in a humidified atmosphere with 5% CO2 at 37° C. Twenty to twenty-four hours later, 20 μL of test compound or vehicle in CP2 reagent and containing 2.2% DMSO was added to the cells, and they were incubated for 90 minutes at 37° C. Then, 55 μL PathHunter® Detection Reagent (Eurofins DiscoverX) was added per well and plates were incubated for 60 minutes at 25° C., followed by luminescence detection using a PHERAstar® FS multimode plate reader (BMG Labtech, Ortenberg, Germany). Raw data were converted to percent stimulation above basal values. Values were further converted to percent of maximal stimulation of β-arrestin recruitment by 30 μM dopamine. EC50 values were calculated from concentration-response curves of at least six concentrations run in duplicates by sigmoidal fitting using Origin® 7.5 software (OriginLab Corporation, Northampton, MA, USA) and were defined as the concentration of the agonist with half-maximal stimulation. The pEC50 values were calculated as the negative logarithm of the EC50 value expressed in mol/liter and is shown in Table 6. The results indicate that the examples of the present disclosure are potent agonists of the G-protein-independent signaling pathway of human recombinant D2L receptors.
12678	5	Determination of Affinity at Human D3 Receptors in Competitive Binding Assay Using [3H]raclopride	Compounds were diluted in DMSO and binding buffer (containing 50 mM Tris, 5 mM MgCl2, 5 mM KCl, 1 mM CaCl2, 120 mM NaCl, 1 mM EDTA) and 50 μL of each solution was transferred into a deep-well plate (BRAND) in 5-fold final concentration in 5% DMSO-buffer solution. The aliquoted membrane preparation was thawed and washed once in binding buffer. In the same buffer, 3.3 μg protein/assay was incubated with ca. 2.7 nM [3H]raclopride (PerkinElmer) in the presence or absence of test compound for 120 minutes at 25° C. in a volume of 250 μL in a 96-well deep well plate (BRAND). Non-specific binding (NSB) was determined in the presence of 10 μM haloperidol. DMSO final concentration was 1% (v/v) in all reactions. After incubation, samples were filtered over UniFilter® GF/B plates (PerkinElmer) using a Filtermate harvester (PerkinElmer) and washed with 4×1 mL ice-cold binding buffer. The plate was dried at 40° C. for an hour and 40 μL Microscint™-20 scintillation cocktail (PerkinElmer) was added to each well. Radioactivity was determined with a Microbeta2® microplate counter (PerkinElmer).
12678	6	Affinity at Human D3 Receptors in Competitive Binding Assay Using [3H]spiperone	Aliquoted membrane preparations were incubated with 0.7 nM [3H]spiperone (PerkinElmer) in the presence or absence of test compound in 96-well plates for 120 minutes at 37° C. in an incubation buffer containing 50 mM Tris-HCl, 1.4 mM ascorbic acid, 0.001% bovine serum albumin, and 150 mM NaCl, at pH 7.4, with 1% DMSO in a final reaction volume of 222 μL. Non-specific binding (NSB) was determined in the presence of 25 μM(S)-(-)-sulpiride (Sigma Aldrich). After incubation, samples were filtered on GF/C filter plates (PerkinElmer), washed, and Microscint-20 scintillation cocktail was added. Radioactivity was determined in a MicroBeta2 microplate counter (PerkinElmer).
12678	7	Characterization of Agonism at Human D3 Receptors Using Cyclic Adenosine Monophosphate Detection	Agonist activity at human D3 receptors was assayed by cAMP levels in HEK293 cells expressing recombinant human D3 receptors (BioXtal, Saint-Félix, France) stably co-expressing adenylyl cyclase V (ACV) (cell line developed by Gedeon Richter) by homogenous time-resolved fluorescence (HTRF) using the cAMP Gi kit (Cisbio/PerkinElmer). HEK293 cells expressing recombinant human D3 receptors and ACV were cultured in DMEM supplemented with 10% FBS, 1% penicillin-streptomycin antimycotic solution, 1% pyruvate, 100 μg/mL G418 (Thermo Fisher Scientific) and 60 μg/mL hygromycin B and maintained at 37° C. in a humidified atmosphere containing 5% CO2. Prior to measuring cAMP, cells were detached with Versene (Thermo-Fisher Scientific) and resuspended in assay buffer (140 mM NaCl, 5 mM KCl, 2 mM MgCl2, 2 mM CaCl2, 10 mM 2-[4-(2-hydroxyethyl) piperazin-1-yl]ethane-1-sulfonic acid (HEPES), 10 mM glucose, pH 7.4) in white-walled, half area 96-well microplates at a density of 15,000 cells/well and 20 μL volume. The assay buffer was supplemented with 100 μM IBMX (Sigma Aldrich, St Louis, MO, USA). After adding the test compounds (4×concentrated) or vehicle (DMSO) at 10 μL/well, cells were incubated with assay buffer or various concentrations of the test compounds for 20 minutes. After an additional 30 minutes incubation at ambient temperature with 1.5 μM forskolin (DMSO final concentration was 0.3%) cell stimulation was stopped by adding detection reagents (20 μL cAMP-d2 and 20 μL anti-cAMP cryptate) diluted in lysis buffer (PerkinElmer). The time-resolved fluorescence (TRF) signal was quantified with a PHERAstar FS multimode reader (BMG Labtech, Ortenberg, Germany) using standard HTRF settings with laser excitation at 337 nm after 60 minutes of incubation at ambient temperature.
12678	8	Measurement of beta-arrestin Recruitment to Human Dopamine D3 Receptors	PathHunter CHO-K1 cells expressing tagged human D3 receptors and tagged β-arrestin-2 (Eurofins DiscoverX, Fremont, CA, USA) were seeded into 96-well white-walled clear bottom tissue culture plates in 90 μL AssayComplete™ Cell Plating 2 (CP2) reagent (Eurofins DiscoverX) at a density of 25,000 cells/well and incubated overnight in humidified atmosphere with 5% CO2 at 37° C. Twenty to twenty-four hours later, 20 μL of test compounds or vehicle in CP2 reagent containing 2.2% DMSO was added to the cells and the cells were incubated for 90 minutes at 37° C. Following incubation, 55 μL PathHunter® Detection Reagent (Eurofins DiscoverX) was added per well and the plates were incubated for 60 minutes at 25° C. followed by luminescence detection using a PHERAstar FS multimode plate reader (BMG Labtech, Ortenberg, Germany).
12678	9	Determination of Affinity for Human 5-HT2A Receptors in Competitive Binding Assay	Receptor membranes were prepared from the CHO-K1 recombinant AequoScreen® cell line stably expressing the human 5-HT2A receptor (PerkinElmer, Waltham, MA, USA). Cells were suspended in 4× volume in buffer A (15 mM Tris-HCl, pH 7.5, 2 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA) (1 g cell-4 mL buffer) and homogenized in a Dounce homogenizer. The crude membrane fraction was collected following two consecutive centrifugation steps at 40,000×g for 25 minutes separated by a washing step in buffer A. The final pellet was resuspended in buffer B (75 mM Tris-HCl, pH 7.5, 12.5 mM MgCl2, 0.3 mM EDTA, 1 mM EGTA, 250 mM sucrose) in a concentration of 80 mg wet cell weight in 0.5 mL buffer, aliquoted and flash frozen on dry ice. Protein content was determined using the bicinchoninic acid assay in the presence of sulfhydryl reagents with bovine serum albumin (BSA) as a standard.
12678	10	Characterization of Antagonism at Human 5-HT2A Receptors using Fluorometric Ca2+Detection	CHO-K1 cells expressing human recombinant 5-HT2A receptors and Gα16 (purchased from Euroscreen Fast, Brussels, BE) in culture were cryopreserved according to established protocols, using 90% FBS/10% DMSO as medium. Prior to the experiment, cells were thawed, resuspended in PowerCHO™ 2 medium (Lonza, Basel, Switzerland) supplemented with 10% fetal bovine serum (FBS), 1% penicillin-streptomycin antimycotic solution, and 1% pyruvate. Cells were seeded in 96-well microplates at a density of 40,000 cells/well and incubated overnight at 37° C. in a humidified atmosphere containing 5.0% CO2. On the day of the experiment, plates were washed with assay buffer (140 mM NaCl, 5 mM KCl, 2 mM MgCl2, 2 mM CaCl2, 10 mM 2-[4-(2-hydroxyethyl) piperazin-1-yl]ethane-1-sulfonic acid (HEPES), 10 mM glucose, 2 mM probenecid, pH 7.4) using a plate washer (Elx405UCWS, Biotek, Winooski, VT, USA), then 50 μL/well of 4 μM Fluo-4 AM (Thermo Fisher Scientific) in assay buffer was added. After dye loading (60 minutes, 37° C., in darkness), plates were washed with assay buffer using the plate washer leaving 50 L/well residual volume, then 50 L/well assay buffer containing vehicle (3% DMSO in assay buffer) or test compounds (3× of the final concentration) were added and the cells were incubated for an additional 10 minutes at 37° C.
12679	1	Assay for mIDH1 R132H/S280F	The enzymatic activity of mIDH1R132H/S280F was assessed by measuring the fluorescence of the NADPH. The assay was performed in 384 well, white ProxiPlates (PerkinElmer, 6008280) in assay buffer containing 50 mM Hepes (Life Technologies, 15630080), 50 mM KCl (Teknova, P0327), 10 mM MgCl2 (Sigma-Aldrich, M1028), 1 mM DTT (Sigma-Aldrich, 43815), 0.02% BSA (Sigma-Aldrich, A3059) at pH 7.5. The final reaction volume was 10 μL. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, D2650) and serially diluted 1:3 using 100% DMSO. 50 nL of compound were then transferred to the assay plate using the Beckman Coulter ECHO 650 Acoustic Liquid Handler for a final DMSO concentration of 0.5%. 5 μL of a mIDH1R132H/S280F and NADPH (Santa Cruz, SC202725C) mixture were added to the assay plate for a final concentration of 2 nM and 10 PM, respectively. 5 μL of NADPH alone were added to negative control wells followed by a 1 hour preincubation at room temperature. 5 μL of alphaketoglutarate (Sigma-Aldrich, K1128) were added to the assay plate for a final concentration of 120 μM. Fluorescence of NADPH (excitation: 350 nm, emission 450 nm) was immediately measured kinetically for approximately 90 minutes using the BioTek Synergy Neo plate reader.
12679	2	Assay for mIDH2 R140Q	The enzymatic activity of mIDH2R140Q was assessed by measuring the fluorescence of the NADPH. The assay was performed in 384 well, white ProxiPlates (PerkinElmer, 6008280) in assay buffer containing 50 mM Hepes (Life Technologies, 15630080), 50 mM KCl (Teknova, P0327), 10 mM MgCl2 (Sigma-Aldrich, M1028), 1 mM DTT (Sigma-Aldrich, 43815), 0.02% BSA (Sigma-Aldrich, A3059) at pH 7.5. The final reaction volume was 10 μL. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, D2650) and serially diluted 1:3 using 100% DMSO. 50 nL of compound were then transferred to the assay plate using the Beckman Coulter ECHO 650 Acoustic Liquid Handler for a final DMSO concentration of 0.5%. 5 μL of a mIDH2R140Q and NADPH (Santa Cruz, SC202725C) mixture were added to the assay plate for a final concentration of 3 nM and 10 μM, respectively. 5 μL of NADPH alone were added to negative control wells followed by a 1 hour preincubation at room temperature. 5 μL of alphaketoglutarate (Sigma-Aldrich, K1128) were added to the assay plate for a final concentration of 300 μM. Fluorescence of NADPH (excitation: 350 nm, emission 450 nm) was immediately measured kinetically for approximately 150 minutes using the BioTek Synergy Neo plate reader.
12679	3	Assay for mIDH1 R132H	The enzymatic activity of mIDH1R132H was assessed by measuring the fluorescence of the NADPH. The assay was performed in 384 well, white ProxiPlates (PerkinElmer, 6008280) in assay buffer containing 50 mM Hepes (Life Technologies, 15630080), 50 mM KCl (Teknova, P0327), 10 mM MgCl2 (Sigma-Aldrich, M1028), 1 mM DTT (Sigma-Aldrich, 43815), 0.02% BSA (Sigma-Aldrich, A3059) at pH 7.5. The final reaction volume was 10 μL. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, D2650) and serially diluted 1:3 using 100% DMSO. 50 nL of compound were then transferred to the assay plate using the Beckman Coulter ECHO 650 Acoustic Liquid Handler for a final DMSO concentration of 0.5%. L of a mIDH1R132H and NADPH (Santa Cruz, SC202725C) mixture were added to the assay plate for a final concentration of 10 nM and 20 μM, respectively. 5 μL of NADPH alone were added to negative control wells. 5 μL of alphaketoglutarate (Sigma-Aldrich, K1128) were added to the assay plate for a final concentration of 200 μM. Fluorescence of NADPH (excitation: 350 nm, emission 450 nm) was immediately measured kinetically for approximately 60 minutes using the BioTek Synergy Neo plate reader.
12679	4	Assay for WT IDH1	The enzymatic activity of WT IDH1 was assessed by measuring the fluorescence of the NADPH generated in the enzymatic reaction. The assay was performed in 384 well, white ProxiPlates (PerkinElmer, 6008280) in assay buffer containing 50 mM Hepes (Life Technologies, 15630080), 50 mM KCl (Teknova, P0327), 10 mM MgCl2 (Sigma-Aldrich, M1028), 1 mM DTT (Sigma-Aldrich, 43815), 0.02% BSA (Sigma-Aldrich, A3059) at pH 7.5. The final reaction volume was 10 μL. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, D2650) and serially diluted 1:3 using 100% DMSO. 50 nL of compound were then transferred to the assay plate using the Beckman Coulter ECHO 650 Acoustic Liquid Handler for a final DMSO concentration of 0.5%. 5 μL of WT IDH1 were added to the assay plate for a final concentration of 0.5 nM. 5 μL of assay buffer alone were added to negative control wells. 5 μL of an isocitrate (Sigma-Aldrich, 58790) and NADP (Sigma-Aldrich, N5755) mixture were added to the assay plate for a final concentration of 5 μM and 15 μM, respectively. Fluorescence of NADPH (excitation: 350 nm, emission 450 nm) was immediately measured kinetically for approximately 15 minutes using the BioTek Synergy Neo plate reader.
12679	5	Assay for WT IDH2	The enzymatic activity of WT IDH2 was assessed by measuring the fluorescence of the NADPH generated in the enzymatic reaction. The assay was performed in 384 well, white ProxiPlates (PerkinElmer, 6008280) in assay buffer containing 50 mM Hepes (Life Technologies, 15630080), 50 mM KCl (Teknova, P0327), 10 mM MgCl2 (Sigma-Aldrich, M1028), 1 mM DTT (Sigma-Aldrich, 43815), 0.02% BSA (Sigma-Aldrich, A3059) at pH 7.5. The final reaction volume was 10 μL. Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, D2650) and serially diluted 1:3 using 100% DMSO. 50 nL of compound were then transferred to the assay plate using the Beckman Coulter ECHO 650 Acoustic Liquid Handler for a final DMSO concentration of 0.5%. 5 μL of WT IDH2 were added to the assay plate for a final concentration of 0.5 nM. 5 μL of assay buffer alone were added to negative control wells. 5 μL of an isocitrate (Sigma-Aldrich, 58790) and NADP (Sigma-Aldrich, N5755) mixture were added to the assay plate for a final concentration of 5 μM and 15 μM, respectively. Fluorescence of NADPH (excitation: 350 nm, emission 450 nm) was immediately measured kinetically for approximately 15 minutes using the BioTek Synergy Neo plate reader.
12680	1	In vitro JAK Kinase Assay	JAK1 inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 μL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 μL 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
12681	1	Binding Assay for gamma1-Containing GABAA Subtypes	Radioligand binding assays were carried out in a volume of 200 μL (96-well plates) which contained 100 μL of cell membranes, [3H]RO7239181 at a concentration of 1.5 nM (α5β2γ1) or 20-30 nM (α1β2γ1, α2β2γ1) and the test compound in the range of [0.3-10000]×10−9 M. Nonspecific binding was defined by 10×10−6 (α5β2γ1) and 30×10−6 M RO7239181 and typically represented less than 5% (α5β2γ1) and less than 20% (α1β2β1, α2β2γ1) of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and then, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filters preincubated 20-50 minutes in 0.3% Polyethylenimine) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with cold Potassium Phosphate 10 mM pH 7.4, KCl 100 mM binding buffer. After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
12681	2	Binding Assay for gamma2-Containing GABAA Subtypes	Radioligand binding assays were carried out in a volume of 200 μL (96-well plates) which contained 100 μL of cell membranes, [3H]Flumazenil at a concentration of 1 nM and the test compound in the range of [0.1·10−3−10]×10−6 M. Nonspecific binding was defined by 10−5 M Diazepam and typically represented less than 5% of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and harvested onto GF/C uni-filters (Packard) by filtration using a Packard harvester and washing with ice-cold wash buffer (50 mM Tris; pH 7.5). After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
12682	1	 Inhibitory Activity on Proton Pump (H+/K+-ATPase) Activity	60 ul of enzyme reaction solution (a test compound at a given concentration, 3 g of gastric mucosal microsomes, 3 mM of MgSO4, 5 mM of KCl, 40 mM of Tris-HCl pH 6.4, and 0.5 mM of adenosine triphosphate) was added to each well of a 96-well plate and reacted at 37° C. for 60 minutes, and 30 μl of 10% SIDS was added to stop the enzyme reaction. 200 ul of detection solution (in which 10% L-ascorbic acid with pH 5.0 was mixed with 35 mM of ammonium molybdate tetrahydrate/15 mM of zinc acetate with pH 5.0 at the ratio of 4:1) was added and reacted at 37 C. for 30 minutes, and the absorbance value was measured at 750 nm by using a microplate reader (MULTISKAN GO, Thermo). The inhibition rate of proton pump activity was expressed as I050, which is 50% inhibition of enzyme activity, by using GraphPad Prism 5.
12683	1	SERT Inhibition Assay	SERT inhibition was measured using a Neurotransmitter Transportation Fluorescence assay. Briefly, stable 5HTT cells were prepared in a 384 microwell plate. Compounds were prepared by in assay buffer (20 mM HEPES in HBSS, 0.1% BSA). The compounds were added to the plated cells and incubated for 30 minutes at 37° C. 25 μL of dye solution (Molecular Devices Neurotransmitter Transporter Uptake Assay Kit) was added per well and incubated for 30 minutes at 37° C. The plates were then read on a plate reader.
12684	1	Measurement of FXIa inhibition	The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a peptidic factor XIa substrate to determine the enzymatic activity of human factor XIa. Here, factor XIa cleaves from the peptidic factor XIa substrate the C-terminal aminomethylcoumarin (AMC), the fluorescence of which is measured. The determinations are carried out in microtitre plates.
12684	2	Thrombin generation assay	In the thrombin generation assay according to Hemker, the activity of thrombin plasma is determined by measuring the fluorescent cleavage products of the substrate I-1140 (Z-Gly-Gly-Arg-AMC, Bachem). The reactions are carried out in the presence of varying concentrations of test substance or the corresponding solvent. To start the reaction, reagents from Thrombinoscope (30 pM to 0.1 pM recombinant tissue factor, 24 μM phospholipids in HEPES) are used. In addition, a thrombin calibrator from Thrombinoscope is used, of which the amidolytic activity is required for calculating the thrombin activity in a sample containing an unknown amount of thrombin. The test is carried out according to the manufacturer&#39;s instructions (Thrombinoscope BV): 4 μl of test substance or of the solvent, 76 μl of plasma and 20 μl of PPP reagent or thrombin calibrator are incubated at 37° C. for 5 min. After addition of 20 μl of 2.5 mM thrombin substrate in 20 mM Hepes, 60 mg/ml of BSA, 102 mM of calcium chloride, the thrombin generation is measured every 20 s over a period of 120 min. Measurement is carried out using a fluorometer (Fluoroskan Ascent) from Thermo Electron fitted with a 390/460 nm filter pair and a dispenser.
12685	1	The radiometric assay for PRMT5	After dissolved in dimethyl sulfoxide respectively, the test compounds were added into an Echo Qualified 384-well plate and diluted to the desired concentrations. The diluted test compounds were transferred from the Echo Qualified 384-well plate to a 384-well reaction plate using an Echo 550 instrument, and dimethyl sulfoxide was transferred into both the control and blank wells. PRMT5 was added to 1×reaction buffer (including 10 mM Tris-HCl; pH 8.0; 0.01% Tween-20; 1 mM DTT) to form a 1.67× enzyme solution (at an enzyme concentration of 5 nM). A polypeptide substrate and [3H]-SAM were added to 1× reaction buffer to form a 2.5× substrate solution (the terminal concentrations of the substrates were 100 nM and 250 nM, respectively). At a volume of 15 μL/well, the 1.67× enzyme solution was added into wells of the 384-well reaction plate. In case of the blank wells, the enzyme solution was replaced with 15 L of the 1× reaction buffer. The reaction plate was centrifuged at 1000 rpm for 1 min, and incubated at room temperature for 15 min. To each well of the 384-well reaction plate, 10 L of the 2.5× substrate solution was added, centrifuged at 1000 rpm for 1 min, and reacted at 25° C. for 60 min. To each well of the 384-well reaction plate, 5 L of reaction stop solution (which was 125 μM cold SAM solution) was added to terminate the reaction. From each well of the test plate, 25 μL was measured and transferred to Flashplate and left at room temperature for 1 h. Thereafter, the Flashplate was washed with 0.1% Tween-20 solution three times. Readings were taken with MicroBeta 2. The data was converted into the inhibition rate data.
12686	1	The p38alpha:MK2:HSP27 biochemical assay	In a 20 μL reaction, the compounds of various concentrations (20 nL) were pre-incubated with 0.6 nM MK2 (Abcam #ab79910) and 0.06 nM active p38α (Abcam #ab271606 or in-house prepared: Avi-Tev-8HIS-p38a phosphorylated by GST-MKK6) for 15 minutes at room temperature following by the addition of 2 μMH SP27 peptide substrate ((TAMRA)Cys-KKKALSRQLSVAA) (custom synthesized, Elim Biopharmaceuticals) and 10p M ATP (Fisher Scientific #B20). After 1 h incubation at room temperature, 60 μL detection reagent (Molecular Devices #8160) was added to the reaction and incubate d for 12 h at room temperature. Homogeneous Time Resolved Fluorescence (HTRF) signal (the ratio between emission at 550 nm and emission at 570 nm upon excitation at 330 nm) was read by TECAN Spark microplate reader. The signal was normalized to vehicle control (DMSO, 0% inhibition) and 1 μM GS-703447 (100% inhibition) to generate % inhibition as a function of compound concentration and fitted in a four-parameter logistic equation to generate IC50.
12686	2	The p38alpha:eIF4E-BP1 biochemical assay	In a 10 μL reaction, the compounds of various concentrations (10 nL) were pre-incubated with 3 nM active p38 at (Abcam #ab271606 or in-house prepared: Avi-Tev-8HIS-p38a phosphorylated by GST-MKK6) for 15 minutes at room temperature following by the addition of 120 nM ULight-eIF4E-binding protein 1 (Thr37/46) peptide (Perkin Elmer #TRF-0128M) and 100 M ATP (Fisher Scientific #B320). After 1 h incubation at room temperature, 5 μL detection reagent (50 mM EDTA, TX Lance reaction buffer (Perkin Elmer #TRFLAB100) and 2 nM Lance Ultra Europium-anti-phospho-eIF4E-binding protein 1 Thr37/46 (Perkin Elmer #TRF-0216M)) were added to the reaction and incubated for 1 h at room temperature. HTRF signal (the ratio between emission at 620 nm and emission at 665 nm upon excitation at 330 nm) was read by TECAN Spark microplate reader. The signal was normalized to vehicle control (DMSO, 0% inhibition) and 1 μM GS-703447 (100% inhibition) to generate IC50 inhibition as a function of compound concentration and filled in a four-parameter logistic equation to generate IC50.
12687	1	Human PKM2 Activation Assay	Human PKM2 was diluted into Assay Buffer comprising 50 mM imidazole, 50 mM KCl, 7 mM MgCl2, 0.01% Tween20, 0.05% BSA (pH 7.2) to a final concentration of 5 pM. Enzyme-Assay Buffer mix was dispensed into a 384-well shallow-well white-walled plate (PerkinElmer) and Test Compounds added by acoustic dispense (Echo®, Labcyte Inc.). Following 10 minutes&#39; incubation at room temperature, the enzyme reaction was initiated by acoustic dispensing of ADP+PEP substrate to final concentrations of 254 μM ADP and 53 μM ADP. After 60 minutes&#39; incubation on an orbital shaker (300 rpm, 26° C.), enzyme activity was quantified by the luminescent detection of generated ATP. Kinase-Glo® Plus reagent was added to each well and the plates incubated for a further 15 minutes on an orbital shaker in the dark (300 rpm, 26° C.) before luminescence measurement on a plate reader (PHERAstar FSX, BMG Labtech).
12687	2	Human PKLR Activation Assay	Human PKLR was diluted into Assay Buffer to a final concentration of 5 pM. Enzyme-Assay Buffer mix was dispensed into 384-well shallow-well white-walled plates and Test Compounds added by acoustic dispense (Echo®, Labcyte Inc). Following 10 minutes&#39; incubation at room temperature, the enzyme reaction was initiated by acoustic dispensing of ADP+PEP substrate to final concentrations of 254 μM ADP and 53 μM ADP. After 60 minutes&#39; incubation on an orbital shaker (300 rpm, 26° C.), enzyme activity was quantified by the luminescent detection of generated ATP. Kinase-Glo® Plus reagent was added to each well and the plates incubated for a further 15 minutes on an orbital shaker in the dark (300 rpm, 26° C.) before luminescence measurement on a plate reader (PHERAstar® FSX, BMG Labtech).
12688	1	Cellular Target Engagement Assay	NanoBRET target engagement was performed against the catalytic domain 2 (CD2) of HDAC6, with minor modifications of kit manufacturer protocol (Promega). Expression of exogenous NanoLuc-HDAC6(CD2) fusion and in HEK293T was achieved following transient transfection with FuGENE HD Transfection Reagent (Promega). The intracellular target engagement assay on HDAC6(CD2) was performed in a 384-well plate format with 8,000 cells per well and a tracer concentration of 0.125 μM or 0.600 μM for HDAC6(CD2). Compounds (dissolved in 100% DMSO) or DMSO (vehicle) were added either manually by diluting them in culture medium at 8× final assay concentration and then adding 5 μL to assay plate or in an automated way by adding 160 nL compound to 5 μL OptiMEM without phenol red (Gibco) using the Echo650 (Labcyte). Tracer solution was added to the cells before seeding 35 μL cell/tracer mixture in the assay plate. The final reaction volume was 40 μL, final DMSO concentration was 1.4% (manual compound addition) or 1.25% (automated compound addition). Assay plates were incubated at 37° C. in a humidified atmosphere containing 5% C02 for 2 hours. The NanoBRET Nano-glo Substrate/Inhibitor was prepared by diluting NanoBRET Nano-Glo Substrate (1:332) and Extracellular Inhibitor (1:1000) in assay medium (Promega). The NanoBRET TE Nano-glo Substrate/Inhibitor was added to cells and measurement of NanoBRET donor and acceptor signal (460-80 and 647-75, respectively) was performed at room temperature with either the EnVision Xcite (PerkinElmer) or the CLARIOstar (BMG Labtech) plate reader 1-2 minutes after NanoLuc substrate addition. BRET ratios were calculated from acceptor/donor signal ratio (mBRET=acceptor/donor*1000) and normalized for each plate. Percentage inhibition was calculated by setting the mBRET obtained with cells without tracer to 100%, while the mBRET obtained with uninhibited cells with tracer was set to 0%. IC50-values were calculated from the percentage inhibition with the log(inhibitor) vs. response—Variable slope (four parameters) nonlinear regression in GraphPad Prism software.
12688	2	HDAC6 Enzymatic Activity Assay	Dose response testing of HDAC6 and HDAC 1 were run at Reaction Biology Corporation (RBC). Inhibition of HDAC enzymes was performed using N-terminal GST tagged human full-length recombinant HDAC6 (H88-30G, SignalChem) and C-terminal FLAG His tag human full-length recombinant HDAC1 produced in insect cells (KDA-21-365, RBC). Enzyme reactions were run in 50 mM Tris-HCl, pH8.0, 137 mM NaCl, 2.7 mM KCl, and 1 mM MgCl2 with 1 mg/ml BSA, 1% DMSO freshly added. 2× enzyme was delivered in the wells of the reaction plate except for the “no enzyme” control wells. In the latter, buffer was added. Compounds in 100% DMSO were delved into the enzyme mixture by acoustic technology (Echo550). Plates are spun down and compounds were incubation with the enzyme for 10 min at room temperature. 2× Fluorogenic peptide from p53 residues 379-382 (RHKKAc, 10 μM final concentration) was added in all wells to initiate the reaction, followed by 1 h incubation at 30° C. Developer containing Trichostatin A was added to stop the reaction and generate fluorescent color. A kinetic measurement was carried out for 20 min with 5 min interval on the Envision plate reader (Perkin Elmer, Ex/Em=360/460). End point reading i.e., plateau of the development reaction was used for analysis. Data was reported by RBC as percentage enzyme activity. Percentage inhibition was calculated by subtracting percentage enzyme activity from 100. IC50 values were calculated using GraphPad Prism 9 based on the log(inhibitor) vs. response—Variable slope (four parameters) equation.
12688	3	HDAC6 Enzymatic Activity Assay (Alternative Protocol)	Inhibition of HDAC enzymes was performed in 384-well plate format using human full-length recombinant HDAC1 and HDAC6, isolated from a baculovirus expression system in Sf9 cells (BPS Bioscience). Reaction buffer for HDAC1 contained 50 mM Tris HCl pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/mL BSA, and reaction buffer for HDAC6 contained 50 mM Tris/HCl, pH 8.0, 137 mM NaCl, 2.7 mM KCl, 250 μM EDTA, 1 mM DTT, 0.1 mg/mL BSA. Compounds (dissolved in 100% DMSO) or DMSO (vehicle) were diluted in assay buffer at 3× final assay concentration and then added to assay plates. SAHA (10 M) was used as a positive control. 3× final assay concentration of recombinant enzymes (final assay concentration is 4 nM and 5 nM for HDAC1 and HDAC6, respectively) were preincubated for 10 minutes with test compounds at room temperature. Afterwards, 3× final assay concentration of an acetylated fluorogenic peptide (Ac-Gly-Ala-Lys(Ac))-AMC, Bachem; final assay concentration is 12 M and 40 M for HDAC1 and HDAC6, respectively) was added to assay plate, allowing deacetylase reactions to incubate for 60 minutes at room temperature. The developer reagent containing 5 μM SAHA and 50 μM trypsin was added to stop the deacetylase reaction and generate AMNC-fluorescence. 15 minutes after addition of developer reagent, endpoint measurements were taken using CLARIOstar (BMG Labtech) plate reader (excitation/emission: 360/450). Fluorescence signals were normalized for each plate using GraphPad Prism software: reaction HDAC-substrate in presence of DMSO was set to 100% while reaction HDAC-substrate in presence of 10 μM SAHA was set to 0%. IC50-values were calculated from normalized measurements using GraphPad Prism software and nonlinear regression with 0% bottom and 100% top constraints.
12689	1	Bioactivity Assay (pH=8.5)	All compounds were prepared as a 10 mM DMSO stock solution. The positive control compound GLPG1690 was prepared as a 10 mM DMSO stock solution.
12689	2	Bioactivity Assay (pH=7.5)	All compounds were prepared as a 10 mM DMSO stock solution. The positive control compound GLPG1690 was prepared as a 10 mM DMSO stock solution.
12690	1	Binding Assay	Receptor binding assays were performed in 96-well format in deep-well plates. For each 96-well plate one ampule of membrane homogenate was thawed and diluted in binding buffer (50 mM Tris pH=7.4, 100 mM KCl) and 200 μL was dispensed into each well. Radioligand [3H]Ro151788 (Perkin Elmer: NET757250UC) was prepared in binding buffer and added to each well in 50 μL volume to give final concentration of 0.5 nM. Test compounds in suitable concentration(s) were added in additional 50 μL. The final assay volume was 300 μL. Incubation was carried out for 60 minutes at 4° C. For non-specific binding 10 μM unlabeled diazepam was used. After incubation samples were filtered over UniFilter® GF/B™ using Filtermate Harvester (Perkin Elmer) and washed with 5×1 mL binding buffer. The plate was dried at 40° C. for an hour and 40 μL Microscint (Perkin Elmer) scintillation cocktail was added to each well. The plate was read in Microbeta (Perkin Elmer).
12691	1	PARP Enzyme Activity Assay	The PARP1 assay kit was purchased from BPS Bioscience, USA, specifically the 384-well chemiluminescent assay kit (Catalog No.: #80551).
12691	2	PARP1/PARP2 Trapping Assay	The PARP1 assay kit was purchased from BPS Bioscience, USA, specifically the 384-well chemiluminescent assay kit (Catalog No.: #80551).
12692	1	MALT-1 Inhibition Assay	MALT-1 paracaspase activity was measured using the fluorogenic substrate Ac-LRSR-Rh110-DP (purchased from Biosantan GmbH). Proteolytic cleavage of the peptide—rhodamine conjugate results in an increase of rhodamine fluorescence which is inhibited by test compounds. Test compounds were diluted in DMSO in a series of 10 semi-log step doses, 15 nL of each compound dose were dispensed in 384 well polypropylene plates (HiBase non-binding, Greiner Bio-One cat #784900). All other assay components were diluted to appropriate working concentrations in assay buffer composed of: 200 mM Tris-HCl (pH 7.5; Sigma-Aldrich cat #T2663-1L), 0.1 mM EGTA (Sigma-Aldrich cat #E3889-10G), 0.05% CHAPS—Sigma-Aldrich cat #C9426-1G), 1 mM TCEP (Sigma-Aldrich cat #646547-10×1 mL), 0.8 M sodium citrate (Sigma-Aldrich cat #S1804-500G). Recombinant human MALT-1 (amino acids 340-824, accession NP_006776.1) was added to compound doses and equilibrated for 40 minutes at rt. The reaction was initiated by addition of substrate. Final concentrations of MALT-1 and substrate were 3 nM and 10 μM respectively. Reactions were incubated in the dark for 60 minutes at 25° C. Fluorescence was measured in a PHERAstar FSX plate reader (BMG LABTECH) with optical setup for excitation at 485 nM and emission at 520 nM, focal height of 11.8 mm, 20 flashes, gain 300. Percent inhibition values were calculated from relative fluorescence units at different doses and fitted to a 4-parameter logistic curve to determine IC50 values.
12693	1	PTPN2 Biochemical Assay	Test compounds were dissolved in DMSO, and 10-point serial 3-fold dilution series in DMSO were prepared in Echo Qualified 384-well Polypropylene Microplates (Labcyte, San Jose, CA) (top concentration 50 M). Assay plates (384-well low volume black plates; Corning #3820, Corning, NY) were prepared by dispensing 50 nL of test compound, and DMSO (for high and low controls) by ECHO acoustic dispenser (Labcyte, San Jose CA). This was followed by addition of 5 μL of 0.2 nM human PTPN2 (1-387) solution (prepared in the assay buffer, 50 mM Tris pH 7.4, 150 mM NaCl, 0.01% Tween20, 0.5 mM dithiothreitol) to all wells except the low control. 5 μl of assay buffer was added into the low control, then the plate was incubated for 30 minutes at room temperature. Subsequently, 5 μl of 100 M DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) solution (prepared in assay buffer from 10 mM stock in DMSO) was added to the assay plate and incubated for 1 hour at room temperature. For detection, assay plates were read on SpectraMax Microplate Reader (Molecular Devices), with Excitation wavelength=360 nm and Emission wavelength=460 nm.
12694	1	Enzymatic Inhibition of TTBK1 and TTBK2	A buffer solution containing the recombinant human enzyme TTBK1 (1-1321) or TTBK2(1-450) (5-20 mU) and 50 mM Tris at pH 7.5, 0.1 mM EGTA, 0.1% p-mercaptoethanol, 1 mg/ml BSA, 10 mM DTT, is tested against the peptide RRKDLHDDEEDEAMSITA (SEQ ID NO: 1) in a final volume of 25.5 μl. The final reaction mixture contains the peptide at a concentration of 0.3 mM, 10 mM magnesium acetate and 0.005 mM [33P-γ-ATP](50-1000 cpm/pmol). The reaction mixture is incubated for 30 minutes at room temperature and the reaction is stopped after the addition of 5 μl of orthophosphoric acid. The mixture is placed on P81 Unifilter plates and washed with 50 mM orthophosphoric acid for data reading.
12695	1	ADP-Glo Kinase Assay	The STK3 kinase assay was performed in 5 μL reaction buffer containing 50 ng recombinant human STK3 protein (full length, SignalChem #S24-10G; Richmond, Canada), 250 μg/mL myelin basic protein (Sigma-Aldrich #M1891; St. Louis, MO, USA), and 50 μM ATP (Sigma-Aldrich #A7699). The STK4 kinase assay was performed in 5 μL reaction buffer containing 50 ng recombinant human STK4 protein (full length, SignalChem #S25-10G), 300 μg/mL Axltide (SignalChem #A16-58), and 50 μM ATP. IC50 values were determined with 10 concentrations of compounds serially diluted 3-fold from a starting concentration of 30 μM. Staurosporine, a non-selective protein kinase inhibitor, was included in the assay as a positive control. Three experiments were performed, each in triplicate.
12695	2	Thermal Shift Assay	Recombinant kinase domains of STK3 and STK4 at 2.0 μM in 10 mM HEPES pH 7.5 and 500 mM NaCl were mixed with 10 UM of the test inhibitors. Temperature-dependent protein unfolding profiles were measured using a Real-Time PCR Mx3005p machine (Stratagene: San Diego, CA, USA). Data evaluation and melting temperature calculation were performed using Protein Thermal Shift Software v1.2. To further evaluate binding of these compounds to STK3/4, differential scanning fluorimetry (protein thermal shift using ThermoFluor technology) assay was used to benchmark the capacity to stabilize the kinase domain. The melting temperature (Tm) of STK3 or STK4 was measured in the presence of vehicle (DMSO) or 6, 11 or 23. A Tm shift of >7.4° C. was obtained for all three potent compounds tested, and comparable results were obtained for compounds 5, 7, 15, and 16. The thermal shift results corresponded closely to the potencies measured using the ADP-Glo kinase assay.
12696	1	Sophion QPatch assay	Electrophysiological characterization of Cav1.2 activators using Cav1.2-HEK293 (AUX) cell line and QPatch 24 hours prior an electrophysiology experiment, doxycycline (1 μg/ml) was added to the growth medium (Table 1), and 25 UM of verapamil was co-applied to prevent calcium influx triggered cell death. Cell confluency should reach 70%-80% right before the experiment. To harvest cells (from a T175 cm2 flask as an example), growth media were removed completely, and the cells were rinsed with 10 ml of D-PBS. D-PBS was aspirated, and 10 ml of Detachin (Genlantis) was added and the plate was placed in a 37° C. incubator for 10 minutes. Detached cells were placed into a 15 ml conical tube and spun at 1000 rpm for 2 minutes. Supernatant was removed, and cells were re-suspended in QPatch complete media (Table 2) to desired cell density of 1.5-3 million cells per QPatch run. Each experimental run uses 1.5 mL of cells.
12697	1	In Vitro ATR Kinase Inhibition Assay	The inhibitory activity of the compounds on ATR kinase in vitro was determined by Mobility Shift Assay at an ATP concentration of Km using Caliper EZ Reader as a mobility shift assaying technology based on microfluidic chip technology.
12698	1	LanthaScreen LRRK2 Biochemical Activity Assay	The ability of a compound of Formula (I) to inhibit LRRK2 kinase activity is measured using a LanthaScreen™ kinase activity assay. In general, in a LanthaScreen™ kinase activity assay, kinase, fluorescein-labeled substrate, and ATP are allowed to react. Then EDTA (to stop the reaction) and terbium-labeled antibody (to detect phosphorylated product) are added. In a LanthaScreen™ kinase reaction, the antibody associates with the phosphorylated fluorescein labeled substrate resulting in an increased TR-FRET value. The TR-FRET value is a dimensionless number that is calculated as the ratio of the acceptor (fluorescein) signal to the donor (terbium) signal. The amount of antibody that is bound to the tracer is directly proportional to the amount of phosphorylated substrate present, and in this manner, kinase activity can be detected and measured by an increase in the TR-FRET value.
12699	1	Biological/Biochemical Evaluation	In this Example, LONP1 (NM_004793.4) activity was measured by a FRET-based assay for protease activity using a fluorogenic peptide DabcylYRGIT(2Abu)SGRQK(5-FAM) (Cambridge Research Biochemicals) as substrate. LONP1 activity is followed by an increase in fluorescence signal due to the degradation of the peptide. Inhibition of LONP1 protease activity by an inhibitor compound of the disclosure elicits a decrease in the fluorescent signal. The assay is performed in a 384-well plate (Greiner, cat. #781076) using the following reagents and conditions: substrate (3 μM) was incubated for 1 hour at 37° C. in the presence of LONP1 (15 nM as monomer), 25 mM Tris pH 8.0, 10 mM MgCl2, 0.03 mg/mL BSA, 0.5 mM DTT, 0.0003% Tween-20, 10 mM NaCl, 0.06 mM ATP and 0.5 mM EGTA in a 15 μL final volume. The LONP1-containing mix (10 μL) was incubated with the test compound for 15 min at 37° C. before adding the peptide-containing mix (5 μL). Solutions were dispensed using a small cassette-Multidrop Combi (Thermo Scientific). Fluorescence was measured using a PheraStar plate reader (BMG Labtech) FI-FRET EX 485 nm Em 520 nm.
12700	1	MT-4 HIV Wild Type Virus Infection Assay (IIIB Virus)	Test compounds and controls were serially diluted and spotted in replicate into 384 well black assay plates via acoustic transfer (Echo). MT-4 cells were grown in batch, centrifuged and resuspended into fresh CCM media (RPMI w/10% FBS, 1% PS) at 2×106 cells/ml. MT-4 cells were acutely infected with HIV-1 IIIB strain. The size of each infection mix was scaled by the number of sample plates to be tested. Each infection mix was transferred into 5 mL closed tubes and nutated rapidly on a shaker at 37° C. incubator for 1 hour. The infection mixes were then diluted 25× in fresh cell culture media and then added to assay plates at 40 μL per well using a ViaFlo 384 pipettor. After 5 day incubation at 37° C. in a CO2 incubator, assay plates were processed with Cell-titer glo reagent using a ViaFlo 384 with an addition/mixing program. Plates were read immediately on Envision reader. Assay signals were plotted and dose response curves generated to determine individual compound EC50s.
12701	1	Scintillation Proximal Assay (SPA)	The scintillation proximal assay (SPA) was based on a competition binding assay with the radio-ligand N-(3-chloro-5-fluorophenyl-4-t)-4-nitrobenzo[c][1,2,5]oxadiazol-7-t-5-amine (1.8 TBq/mmol, affinity of the non-labeled ligand, IC50=82±18 nM, n=3). Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal control, and contained DMSO with no compound, and another column was designated as the low signal control, and contained no protein. Compounds (tested using a 14-point dose response with 3-fold compound dilutions from 100 μM to 60 pM) were pre-incubated for 30 min with HIF2α PAS-B domain (236-350, biotinylated on the N-terminus), before addition of the radio-ligand. Final concentrations in an assay volume of 60 μL were 5 nM HIF2α, and 25 nM radio-ligand. The assay buffer contained 50 mM Tris-HCl pH7 (Sigma), 20 mM NaCl (Fluka), 0.02% BSA (Sigma), 0.005% Triton X-100 (Pierce) and 1 mM DTT (Fluka). After a 30 min incubation period, 5 μL Streptavidin PVT SPA Beads (Perkin Elmer) at 1.2 mg/mL, diluted in the buffer, were added. After a 60 min incubation, plates were centrifuged and read on a Topcount NXT 384 (Packard). Duplicates were made using 2 different plates, and mean IC50 values were determined using the Helios system based on the following equation: % inhibition=[(high control−sample)/(high control−low control)]×100. The IC50 values in the Tabulated HIF2α activities are the average from 1 to 10 independent experiments.
12702	1	ATM Biochemical Potency Assay	ATM (Millipore, Cat. No. 14-933) enzyme solution was prepared in 1× kinase base buffer. 10 μl of 2× enzyme solution was transferred to each well of the 384-well assay plate containing 100 nl compounds added by Echo. The plate was incubated at room temperature for 10 minutes. 2× peptide solution was prepared with FAM-labeled peptide and ATP in the 1× kinase base buffer (final concentration: 1.5 nM). 10 μl of 2× peptide solution was added to each well of the 384-well assay plate which was incubated at 37° C. for 210 min before 40 μl stop buffer was added to stop reaction. Data was collected by Caliper.
12702	2	ATR Biochemical Potency Assay	ATR enzyme was made by ChemPartner (batch: CP-ATR-20161102-M2). 2× enzyme solutions were prepared in 1× kinase base buffer. 10 μl of 2× enzyme solution (final concentration: 2.5 nM) was added to each well of the 384-well assay plate containing 60 nl compound in each well. The plate was incubated at room temperature for 10 minutes. 2× peptide solutions were prepared with FAM-labeled peptide and ATP in the 1× kinase base buffer. 10 μl of 2× peptide solution was added to each well of the 384-well assay plate, which was incubated at 28° C. for 240 min. 40 μl of stop buffer was added to stop reaction. Data were collected by Caliper.
12702	3	PI3K Biochemical Assay	PI3Kα (p110α/p85a), PIK3C δ, PIK3Cβ (p110β), PIK3Cγ (pp110γ) kinase reaction solutions of PI3Kα (Invitrogen, Cat. No. PV4788), PIK3Cδ (Invitrogen, Cat. No. PV6452), PIK3Cβ (Millipore, Cat. No. 14-603-K), PIK3Cγ (Invitrogen, Cat. No. PR8641C) enzymes were prepared in 1× kinase buffer at 4-fold of the final concentration (final concentration: PI3Kα 0.7 nM, PIK3Cδ 3 nM, PIK3Cβ 4.8 nM, PIK3Cγ 11 nM) of each reagent in the assay. 2.5 μl of kinase solution was added to each well of the 384-well assay plate, which contains 2.5 μl of compounds with serially diluted concentration. 2× substrate solution was prepared with PIP2 substrate and ATP in 1× kinase reaction buffer at 2-fold of the final concentration of each reagent in the assay. 5 μl of substrate solution was added to each well of the assay plate to start reaction. The assay plate was incubated at room temperature for 1 hour. 5 μl reaction mix was transferred to a new 384 well plate. 5 μl of ADP-Glo reagent (Promega, Cat. No. v9102/3, Lot. No. 0000176563) was added to each well of the new assay plate to stop the reaction. The plate was shaken slowly and equilibrated for 40 minutes. 10 μl kinase detection reagents was added to each well, which was equilibrated for 60 minutes before read on a plate reader (Envision) for luminescence.
12702	4	mTOR Biochemical Assay	Solution of mTOR enzymes (Millipore, Cat. No. 14-770, Lot. No. 2052551) was prepared in 1× kinase buffer at 4-fold of the final concentration (final concentration: 6 nM) in the assay. 2.5 μl of kinase solution was added to each well of the 384-well assay plate, which contains 2.5 μl of compounds with serially diluted concentration. 2× substrate solution was prepared with ULight-4E-BP1 (Thr37/46) Peptide (PE, Cat. No. TRF0128-M, Lot. No. 1695274) and ATP in 1× kinase reaction buffer at 2-fold of the final concentration of each reagent in the assay. 5 μl of substrate solution was added to each well of the assay plate to start reaction. The assay plate was incubated at room temperature for 30 minutes. Detection solution of kinase quench buffer (EDTA) and Eu-anti-phospho-4E-BP1 antibody (Thr37/46) (PE, Cat. No. TRF0216-M, Lot. No. 1571838) were prepared at 2-fold the desired final concentrations of each reagent in Lance detection buffer. 10 μl of detection solution buffer was added to each well of the assay plate. The assay plate was equilibrated for 60 minutes at room temperature before read on a plate reader (Lance signal (665 nm) from Envision program).
12703	1	In Vitro JAK Kinase Assay	The catalytic activity of JAK1, JAK2 or JAK3 was assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds were measured for each kinase in the 40 μL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions was 1 mM. Reactions were carried out at room temperature for 1 hour and then stopped with 20 μL 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, Mass.). Binding to the Europium labeled antibody took place for 40 minutes and HTRF signal was measured on a PHERA star plate reader (BMG, Cary, N.C.).
12704	1	CSNK1A1 Assay 1	Inhibitory activity of compounds of the present invention in presence of 1 μM adenosine-tri-phosphate (ATP) was quantified employing the CSNK1A1 assay as described in the following paragraphs. In essence, the enzyme activity is measured by quantification of the adenosine-di-phosphate (ADP), which is generated as a co-product of the enzyme reaction, via the “ADP-Glo™ Kinase Assay” kit from the company Promega. This detection system works as follows: In a first step the ATP not consumed in the kinase reaction is quantitatively converted to cAMP employing an adenylate cyclase (“ADP-Glo-reagent”), then the adenylate cyclase is stopped and the ADP generated in the kinase reaction converted to ATP which generates in a luciferase-based reaction a glow-luminescence signal (“Kinase Detection Reagent”). Recombinant fusion protein of N-terminal Glutathion-S-Transferase (GST) and full-length human CSNK1A1, expressed by baculovirus infected insect cells and purified via Glutathion affinity chromatography, was purchased from Life Technologies (product no. PV4174) and used as enzyme. As substrate for the kinase reaction the biotinylated peptide Btn-Ahx-SGSEGDSESGEEEG (C-terminus in amide form) was used which can be purchased e.g. from the company Biosyntan (Berlin-Buch, Germany).
12704	2	CSNK1A1 Assay 2	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 μM=>final conc. in the 5 μL assay volume is 1 μM) and peptide substrate (50 μM=>final conc. in the 5 μL assay volume is 30 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentrations are about 0.0375 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer).
12704	3	CSNK1D Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1D in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 μM=>final conc. in the 5 μL assay volume is 1 μM) and peptide substrate (50 μM=>final conc. in the 5 μL assay volume is 30 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1 D was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.5 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1D.
12704	4	CSNK1A1 High ATP Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 mM=>final conc. in the 5 μL assay volume is 1 mM) and peptide substrate (167 μM=>final conc. in the 5 μL assay volume is 100 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to cAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
12704	5	WT-EGFR Kinase Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of EGFR in aqueous assay buffer [50 mM Hepes pH 7.0, 10 mM MgCl2, 1 mM dithiothreitol, 0.5 mM EGTA, 0.3 mM activated sodium ortho-vanadate, 0.005% (w/v) bovine serum albumin, 0.005% (v/v) Tween-20] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of adenosine-tri-phosphate (ATP, 3.33 mM=>final conc. in the 5 μL assay volume is 2 mM) and substrate (1.67 μM=>final conc. in the 5 μL assay volume is 1 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of EGFR was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentration was 7.6 pg/μL. The reaction was stopped by the addition of 3 μL of a solution of HTRF detection reagents (83.3 nM streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nM PT66-Tb-Cryptate, a terbium-cryptate labelled anti-phospho-tyrosine antibody from Cisbio Bioassays [instead of the PT66-Tb-cryptate PT66-Eu-Chelate from Perkin Elmer can also be used]) in an aqueous EDTA-solution (133.3 mM EDTA, 0.2% (w/v) bovine serum albumin in 50 mM HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the binding of the biotinylated phosphorylated peptide to the streptavidine-XL665 and the PT66-Tb-Cryptate. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the PT66-Tb-Cryptate to the streptavidine-XL665.
12705	1	BRD4 AlphaScreen Assay	BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhibitors were first serially diluted in DMSO and added to the plate wells before the addition of other reaction components. The final concentration of DMSO in the assay was 1.25% (BD1) and 0.83% (BD2). The assays were carried out at room temperature in the assay buffer (50 mM Tris-HCl, pH 7.5, 0.01% Tween-20, 0.01% BSA, 5 mM DTT), containing 50 nM Biotin-labeled tetra-acetylated histone H4 peptide (H4Ac4) and BRD4-BD1 or BRD4-BD2 protein at concentration less than 1 nM. The incubation for 75 min. was followed by the addition of 20 μL of assay buffer supplemented with Streptavidin donor beads (PerkinElmer 6760002) and GSH Acceptor beads (PerkinElmer-AL109C) at final concentration 2-4 μg/mL under reduced light. After plate sealing, the plate was incubated in the dark at room temperature for 75 min. before reading on a PHERAstar FS plate reader (BMG Labtech). IC50 determination was performed by fitting the curve of percent control activity versus the log of the inhibitor concentration using the GraphPad Prism 5.0 software.
12706	1	Measurement of Human MGAT2 Inhibitory Activity	Solutions of the compounds of the present invention in DMSO were each aliquoted into 0.2-μL portions in a 384-well polystyrene microplate produced by Corning Incorporated, and 5 μL of an enzyme solution prepared with an assay buffer (100 mmol/L phosphate buffer (pH 7.4) containing 2 mmol/L DTT) and 5 μL of a substrate solution (100 mmol/L phosphate buffer (pH 7.4), 30 μmol/L 2-Oleoylglycerol, 10 μmol/L Oleoyl-CoA) were added thereto, and the resultant was stirred and centrifuged, and incubated in a moist chamber at room temperature for 1 hour. After enzymatic reaction, 50 μL of a quenching solution (containing 0.2 μmol/L Diolein-d5, 0.4% formic acid, and 50% isopropanol) containing Internal Standard (IS) was added to terminate the reaction, and the resultant was sealed in a plate produced by Shimadzu GLC Ltd., and then stirred and centrifuged, and measurement was performed by using an electrospray ionization method with a RapidFire360 and Agilent 6550 Q-TOF mass spectrometer. Diolein as a reaction product (P) of 2-Oleoylglycerol as the substrate and an ammonium adduct ion of the IS were detected, and the peak intensity ratio, P/IS, was calculated from the peak heights to evaluate the inhibitory activity. Inhibitory activities with/without addition of enzyme were defined as Control (+)/Control (−), respectively, and the respective % inhibitions were defined as 0% inhibition and 100% inhibition. The inhibitory activity was calculated from formula below with TIBCO Spotfire (produced by TIBCO Software Inc.)
12707	1	In Vitro Biochemical Assay	Enzyme activity assays were performed in triplicate in 384-well Greiner Bio-One black small volume microtiter plates, as previously described using recombinant human His6-tagged PTP4A1, PTP4A2, PTP4A3, PTP4A3 mutants, CDCl25B, or DUSP3 and substrate DiFMUP (12 μM) incubated at 25° C. for 25 minutes in 40 mM Tris-HCl (pH 7.0), 75 mM NaCl, 2 mM EDTA, and 4 mM DTT buffer. The assays were fully automated using an Agilent Bravo Liquid Handling Platform and miniaturized to 15 ml total volume. Dilutional reversibility assays were performed in a 100 ml total reaction volume using the same assay conditions (McQueeney et al., 2017, 2018). His6-tagged PTP4A3 (1 mg) was preincubated for 30 minutes with 0, 86, or 860 nM compound and then diluted to 10-fold. Reactions were initiated with the addition of 45 ml of substrate for a final DiFMUP concentration of 12 μM and incubated at room temperature for 25 minutes. Preincubation studies with 9p were performed by incubating the compound with PTP4A3 for 2 hours with continuous shaking, after which time substrate was added and the standard assay conditions were followed. Fluorescence data were captured on a SpectraMax M5 (San Jose, CA) and phosphatase activity was expressed as a percentage of maximal activity.
12708	1	Inhibitory Effect of DGKepsilon	To a 384-well plate (Greiner Bio-One Co., Ltd.), 3 μL of a DGK Δ enzyme dissolved in an assay buffer (40 mM Tris-HCl pH 7.5, 10 mM MgCl2, 1 mM dithiothreitol (DTT) and 0.1 mg/mL bovine serum albumin (BSA)) (90 ng/mL) was added, and 3 μL of the test compound diluted with the same assay buffer was added so that an intended final concentration was obtained. The mixture was left standing at room temperature for 15 minutes, 3 μL of a substrate (150 μM 1-oleoyl-2-acetyl-sn-glycerol (Sigma-Aldrich Co. LLC.), 480 μM phosphatidylserine (Avanti Polar Lipids, Inc.) and 150 μM UltraPure-ATP (attached to ADP-Glo)) was then added, and the mixture was left standing at room temperature for 30 minutes to react. Thereafter, 3 μL of an ADP-Glo Reagent was added, and the mixture was left standing at room temperature for 40 minutes to stop the enzyme reaction. Further, 6 μL of a Kinase-Detection Reagent was added, the mixture was left standing at room temperature for 30 minutes, and the luminescence was then measured using ARVO X3 (PerkinElmer, Inc.). The half maximal inhibitory concentration (IC50) was calculated by Sigmoid-Emax model non-linear regression analysis, where the signal value in solvent treatment was set to 0% inhibition and the signal value without addition of the DGK ξ enzyme was set to 100% inhibition.
12709	1	Human RORgamma on Inhibitory Activity Assay	TBD
12710	1	SERT Inhibition Assay	SERT inhibition was measured using a Neruotransmitter Transportation Fluorescence assay. Briefly, stable 5HHH cells were prepared in a 384 microwell plate. Compounds were prepared by in assay buffer (20 mM HEPES, 0.1% BSA). The compounds were added to the plated cells and incubated for 30 minutes at 37° C. 25 μL of dye solution (Molecular Devices Neurotransmitter Transporter Uptake Assay Kit) was added per well and incubated for 30 minutes at 37° C. The plates were then read on a plate reader.
12710	2	PDE4 Inhibition Assay	1) Dilute 20 μM FAM-Cyclic-3′, 5′-AMP stock 100-fold with PDE buffer to make a 200 nM solution. Make only sufficient quantity needed for the assay; store remaining 20 μM stock solution in aliquots at −20° C.2) Add 25 μl of FAM-Cyclic-3′,5′-AMP (200 nM) to each well designated “Positive Control”, “Test Inhibitor”, and “Substrate Control”.3) Add 20 μl of PDE assay buffer to each well designated “Substrate Control” and 45 μl of PDE assay buffer to each well designated “Blank”.4) Add 5 μl of inhibitor solution to each well designated “Test Inhibitor”. For the wells labeled “Positive Control”, “Substrate Control” and “Blank”, add 5 μl of the same solution without inhibitor (inhibitor buffer).5) Thaw PDE on ice. Upon first thaw, briefly spin tube containing enzyme to recover the full contents of the tube.6) Dilute PDE4 in PDE buffer to 7.5 pg/μl (0.15 ng/reaction)*. Initiate reaction by adding 20 μl of PDE4 (7.5 pg/μl) to the wells designated “Positive Control” and “Test Inhibitor.”7) Incubate at room temperature for 1 hour.Step 2:1) Mix binding agent thoroughly and dilute binding agent 1:100 with binding agent diluent.2) Add 100 μl diluted binding agent to each microwell. Incubate at room temperature for 1 hour with slow shaking.3) Read the fluorescent polarization of the sample in a microtiter-plate reader equipped for the measurement of fluorescence polarization, capable of excitation at wavelengths ranging from 485±5 nm and detection of emitted light ranging from 528±10 nm. Blank value is subtracted from all other values.
12711	1	Inhibition Assay	The PLpro enzyme was purified as described above and prepared in assay buffer (50 mM HEPES, pH 7.5, 0.01% Triton X-100 (v/v), 0.1 mg mL-1 BSA, and 2 mM DTT). IC50 values were measured in triplicate. A series of increasing concentrations (0-100 μM final concentration at 3-fold serial dilution) in 100% DMSO were prepared in a 384-well plate. 7 μL of 225 nM (3X) enzyme solution was distributed into wells, and 7 μL of varying concentration of 3X compounds were added and incubated for 10 min and 60 min for non-covalent inhibitors and covalent inhibitors, respectively. The enzyme reaction was initiated by adding 7 μL of the 75 μM (3X) substrate, and its activity was continuously monitored for at least 10 min. 
12712	1	mPGES-1 Inhibitory Activity Test	mPGES-1 microsomal specimens were prepared by transiently transfecting CHO-K1 cells (DS Pharma Biomedical Co. Ltd) with a plasmid encoding human mPGES-1 cDNA using FuGENE 6 Transfection Reagent (Promega). The prepared mPGES-1 microsome specimens were diluted in potassium phosphate buffer of pH 7.4 comprising 2.5 mM reduced glutathione (Sigma-Aldrich), DMSO solution of a test compound or DMSO was added to a final concentration of 1% of DMSO, and then incubated at 4° C. for 20 minutes. The enzymatic reaction was then initiated by adding a solution of PGH2 (Cayman chemical) substrate of a final concentration 1 μM and incubated at 4° C. for 60 seconds. The reaction was terminated by adding a solution of ferric chloride (STREM CHEMICALS) and citric acid (Wako Pure Chemical Industries) salt to a final concentration of 5 mg/mL and 250 mM, respectively. The formed PGE2 was quantified using the HTRF kit (Cisbio International). Solutions without the test compound were used as positive controls, and solutions without the test compound and microsomal specimens were used as negative controls. 100% activity was defined as production of PGE2 in the positive control minus that in the negative control. The percentage inhibition of production of PGE2 at final concentrations of 10 nM and 100 nM of the test compound was then calculated, or IC50 values were determined using standard methods.
12713	1	c-KIT Kinase Assay	Kinase Reaction: The kinase assay was based on the recommended protocol by c-KIT Kinase Enzyme System from Promega. Recombinant human c-KIT kinase in 3 μL of assay buffer (40 mM Tris pH 7.5, 20 mM MgCl2, 0.1 mg/mL BSA and 50 μM DTT) was added to the test or high control wells and 3 μL of assay buffer was added to the low control wells. The microplate was centrifuged at 800 rotations per minute (rpm) for 60 s and incubated at room temperature (RT) for 30 min. Next, 2 μL of buffered ATP and polyEY substrate solution was added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 2 h. The final assay contained c-KIT (25 ng), ATP (50 μM), polyEY substrate (0.2 μg/μL), test compounds (0-10 μM) and DMSO (1.7%) in 5 μL assay buffer. ADP detection with ADP-Glo™ Kinase Assay: After the kinase reaction incubation, 5 μL of ADP-Glo™ reagent was added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 40 min. Ten microliter (10 μL) of Kinase Detection Reagent (Luciferin-Luciferase system) was then added to all wells. The microplate was centrifuged at 800 rpm for 60 s and incubated at RT for 60 min. Kinase activity was measured as increase in luminescence at RT in an Envision plate reader equipped with 560 nm filters and operating in endpoint mode. 
12714	1	MAGL Inhibitory Activity Assay	MAGL inhibitory activity by determining the enzymatic activity by following the hydrolysis of the natural substrate 2-arachidonoylglycerol (2-AG) resulting in arachidonic acid, which can be followed by mass spectrometry. This assay is hereinafter abbreviated “2-AG assay”. The 2-AG assay was carried out in 384 well polypropylene assay plates. Compound dilutions were made in 100% DMSO in a polypropylene plate in 3-fold dilution steps to give a final concentration range in the assay from 12.5 μM to 0.8 pM. Compound dilutions were added to MAGL protein in assay buffer (50 mM TRIS, 1 mM EDTA, 0.01% (v/v) Tween-20, 2.5% (v/v) DMSO). After shaking, the plate was incubated for 15 min at RT. To start the reaction, 2-arachidonoylglycerol in assay buffer was added. The final concentrations in the assay was 50 pM for MAGL protein and 8 pM 2-arachidonoylglyerol. After shaking and 30 min incubation at RT, the reaction was quenched by the addition of two assay volumes of acetonitrile containing 4 μM of d8-arachidonic acid. The amount of arachidonic acid formed was traced by an online SPE system (Agilent Rapidfire) coupled to a triple quadrupole mass spectrometer.
12715	1	In Vitro Assay of the Inhibitory Activity of Compounds Against PDE 3A and PDE 4B2 Enzymes	1) Prepare FAM cAMP working solution: 20 μL of FAM-Cyclic-3′, 5′-AMP stock was added to 1980 μL of PDE assay buffer. The mixture was added to all wells at 25 μL/well.2) Prepare compound solution: the test compounds were dissolved in DMSO to make a 10 mM stock solution. The compound stock solution was diluted in DMSO to a 100× Top Dose diluent. 5 μL of 100× Top Dose diluent was added to 45 μL of PDE assay buffer to prepare a compound Top Dose working solution. Then, the compound working solution was subjected to double dilution with PDE assay buffer containing 10% DMSO to prepare compound working solutions of various concentrations. The compound working solutions were added to compound wells at 5 μL/well. 5 μL of PDE assay buffer containing 10% DMSO was added to each control well.3) Prepare PDE enzyme solution: PDE3A and PDE4B2 enzyme stock solutions were diluted to 150 pg/μL and 50 pg/μL, respectively, with PDE assay buffer, and added to all compound wells and Vehicle control wells at 20 μL/well. 20 μL of PDE assay buffer was added to Blank control wells.4) React at room temperature for 1 h.5) Prepare Binding Agent: 80 μL of binding agent was added to 7920 μL of binding agent diluent, and the mixture was mixed well and added to all wells at 100 μL/well.6) React at room temperature for 1 h.7) Read FP on Envision.8) Calculation formula for original data:%⁢Inhibition⁢rate=(FPV-FPS)/(FPV-FPB)×100⁢%
12716	1	In Vitro Assay	For most assays, kinase-tagged T7 phage strains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (6,000×g) and filtered (0.2 μm) to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions to screen test compounds for kinase binding activity were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polypropylene 384-well plates in a final volume of 20 μL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12717	1	TBD	TBD
12717	2	TBD	TBD
12718	1	MALT1 Enzyme Activity Assay	1.1 Experimental PurposeAc-LRSR-AMC was used as the substrate to test the IC50 of the inhibitory activity of compounds on MALT1 enzyme activity at their Km concentration.1.2 Experimental Instruments and ReagentsInstruments:Instrument name Manufacturer Specification and modelCentrifuge Eppendorf 5810RMicrocentrifuge DALB SCIENTIFIC D1008CO., LTD.Microplate reader Bio Tek H1MFDReagents:Reagent materials Manufacturer Item No.Recombinant human Abcam ab271604MALT1/MLT proteinAc-LRSR-AMC SM biochemicals ab2716041.3 Test MethodAc-LRSR-AMC was used as the substrate which was digested by MALT1 to produce products, which produced fluorescence that could be detected at 460 nm. The highest concentration of the compound detected was 1000 nM, 3-fold dilution, a total of 11 concentrations (1000 nM-0.017 nM). The reaction system is 10 nM FL MALT1 protein, 200 mM Ac-LRSR-AMC, 50 mM Tris pH 7.5, 0.6M Citrate, 1 mM DTT, 1 mM EDTA, 0.05% BSA and 1.5% DMSO. The compound and the enzyme were pre-incubated at room temperature for 50 min. The substrate was then added and the reaction was carried out for 4 h.
12719	1	KAT6A Biochemical Assay	TR-FRET is homogeneous proximity assay where Europium-labelled anti-acetyl lysine antibody binds to the acetylated substrate labelled with biotin which in turn binds to streptavidin labelled APC fluorescence acceptor. Europium can transfer energy to APC in the complex and the interaction of two dye-labelled binding partners is detected by the energy transfer between a donor and an acceptor dye, and the subsequent light emission by the acceptor dye. KAT6A transfer an acetyl group from acetyl CoA to lysine amino acids of histones/target proteins. Typically, 5 μL of human-KAT6A (MYST domain 507-778 aa) in assay buffer (100 mM Tris HCl (pH 7.8), 15 mM NaCl, 1 mM EDTA, 0.01% Tween-20, 0.02% BSA, 1 mM DTT) is added to 384-well plate containing 5 μL of selected test compound in final 1% DMSO, serially diluted in 1:3 in an 8-10-point titration. The selected compound of the present invention and enzyme are incubated for 30 min at room temperature. Next, 5 μL of substrate mix containing histone H4 peptide and acetyl-CoA in assay buffer is added to the plate. The final concentrations of H4 peptide and acetyl-CoA are 200 nM and 600 nM respectively. Following 30 min reaction at room temperature, 5 μL of detection mix containing Europium labelled anti-acetyl antibody and streptavidin-APC is added to the reaction wells. The plate is further incubated for 45 min at room temperature and is read in TR-FRET mode (Ex:340 nm; Em: 615 nm and 665 nm) on a plate reader.
12720	1	FRET-Based Assay	In this Example, LONP1 (NM_004793.4) activity was measured by a FRET-based assay for protease activity using a fluorogenic peptide DabcylYRGIT(2Abu)SGRQK(5-FAM) (Cambridge Research Biochemicals) as substrate. LONP1 activity is followed by an increase in fluorescence signal due to the degradation of the peptide. Inhibition of LONP1 protease activity by an inhibitor compound of the disclosure elicits a decrease in the fluorescent signal.The assay is performed in a 384-well plate (Greiner, cat. #781076) using the following reagents and conditions: substrate (3 μM) was incubated for 1 hour at 37° C. in the presence of LONP1 (15 nM as monomer), 25 mM Tris pH 8.0, 10 mM MgCl2, 0.03 mg/mL BSA, 0.5 mM DTT, 0.0003% Tween-20, 10 mM NaCl, 0.06 mM ATP and 0.5 mM EGTA in a 15 μL final volume. The LONP1-containing mix (10 μL) was incubated with the test compound for 15 min at 37° C. before adding the peptide-containing mix (5 μL). Solutions were dispensed using a small cassette-Multidrop Combi (Thermo Scientific). Fluorescence was measured using a PheraStar plate reader (BMG Labtech) FI-FRET EX 485 nm Em 520 nm.
12721	1	FRET-Based Assay	In this Example, LONP1 (NM_004793.4) activity was measured by a FRET-based assay for protease activity using a fluorogenic peptide DabcylYRGIT(2Abu)SGRQK(5-FAM) (Cambridge Research Biochemicals) as substrate. LONP1 activity is followed by an increase in fluorescence signal due to the degradation of the peptide. Inhibition of LONP1 protease activity by an inhibitor compound of the disclosure elicits a decrease in the fluorescent signal. The assay is performed in a 384-well plate (Greiner, cat. #781076) using the following reagents and conditions: substrate (3 μM) was incubated for 1 hour at 37° C. in the presence of LONP1 (15 nM as monomer), 25 mM Tris pH 8.0, 10 mM MgCl2, 0.03 mg/mL BSA, 0.5 mM DTT, 0.0003% Tween-20, 10 mM NaCl, 0.06 mM ATP and 0.5 mM EGTA in a 15 μL final volume. The LONP1-containing mix (10 μL) was incubated with the test compound for 15 min at 37° C. before adding the peptide-containing mix (5 μL). Solutions were dispensed using a small cassette-Multidrop Combi (Thermo Scientific). Fluorescence was measured using a PheraStar plate reader (BMG Labtech) FI-FRET EX 485 nm Em 520 nm.
12722	1	ENPP1 Enzyme Activity Assay	3 nM mouse ENPP1 was incubated with 5 uM cGAMP and 5-fold serial dilutions of compounds in buffer containing 50 mM Tris pH 7.6, 250 nM NaCl, 500 uM CaCl2, and 1 uM ZnCl2 (total reaction volume=10 μL) at room temperature for 3 hours, after which the reactions were heat inactivated at 95° C. for 10 minutes. The AMP degradation product was converted to ATP, which was detected using luciferase. To achieve this, an enzyme mixture of polyphosphate:AMP phosphotransferase (PAP) and myokinase was prepared according to Goueli et al. in EP2771480. Briefly, PAP was diluted to 2 mg/mL in buffer containing 50 mM Tris pH 7.5, 0.1% NP-40. Myokinase was diluted to 2 KU/mL in buffer containing 3.2 mM ammonium sulfate pH 6.0, 1 mM EDTA, and 4 mM polyphosphate. The heat-inactivated ENPP1 reaction was incubated with PAP (0.01 μg/μL) and myokinase (0.0075 U/μL) in buffer containing 40 mM Tris pH 7.5, 0.05 mg/mL Prionex, 5 mM MgCl2, 20 μM polyphosphate, and 0.15 g/L phenol red (for ease of pipetting) for 3 hours (total reaction volume=20 μL). CellTiterGlo (20 uL) was added to the reaction according to manufacturer&#39;s protocol and luminescence was measured. Data were normalized to 100% enzyme activity (no compound) and 0% enzyme activity (no enzyme) before being fit to the function 100/(1+([compound]/IC50)).
12723	1	PTPN2 Biochemical Assay	Test compounds were dissolved in DMSO, and 10-point serial 3-fold dilution series in DMSO were prepared in Echo Qualified 384-well Polypropylene Microplates (Labcyte, San Jose, CA) (top concentration 50 M). Assay plates (384-well low volume black plates; Corning #3820, Corning, NY) were prepared by dispensing 50 nL of test compound, and DMSO (for high and low controls) by ECHO acoustic dispenser (Labcyte, San Jose CA). This was followed by addition of 5 μL of 0.2 nM human PTPN2 (1-387) solution (prepared in the assay buffer, 50 mM Tris pH 7.4, 150 mM NaCl, 0.01% Tween20, 0.5 mM dithiothreitol) to all wells except the low control. 5 μl of assay buffer was added into the low control, then the plate was incubated for 30 minutes at room temperature. Subsequently, 5 μl of 100 M DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) solution (prepared in assay buffer from 10 mM stock in DMSO) was added to the assay plate and incubated for 1 hour at room temperature. For detection, assay plates were read on SpectraMax Microplate Reader (Molecular Devices), with Excitation wavelength=360 nm and Emission wavelength=460 nm.
12723	2	PTPN1 Biochemical Assay	Test compounds were dissolved in DMSO, and 10-point serial 3-fold dilution series in DMSO were prepared in Echo Qualified 384-well Polypropylene Microplates (Labcyte, San Jose, CA) (top concentration 50 M). Assay plates (384-well low volume black plates; Corning #3820, Corning, NY) were prepared by dispensing 50 nL of test compound and DMSO (for high and low controls) by ECHO acoustic dispenser (Labcyte, San Jose CA). This was followed by addition of 5 μL of 6 nM human PTPN1 (1-435) solution (prepared in the assay buffer, 50 mM Tris pH 7.4, 150 mM NaCl, 0.01% Tween20, 0.5 mM dithiothreitol) to all wells except the low control. 5 μl of assay buffer was added into the low control. The plate was incubated for 30 minutes at room temperature. Subsequently, 5 μl of 100 M DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) solution (prepared in assay buffer from 10 mM stock in DMSO) was added to the assay plate and incubated for 1 hour at room temperature. For detection, assay plates were read on SpectraMax Microplate Reader (Molecular Devices), with Excitation wavelength=360 nm and Emission wavelength=460 nm. Test compound effects were normalized to the window defined by the controls, DMSO/buffer, and DMSO/150 pM human PTPN1.
12724	1	Binding of Neurotensin to the NTSR1 Receptor	Inhibition higher than 50% of a certain receptor radioligand in the presence of 30 micromolar GAL475 was observed with 5-HT2B(h) (agonist radioligand; 75%), 5-HT5a(h) (agonist radioligand; 50.6%), 5-HT7 (h) (agonist radioligand; 79%), al adrenoreceptor (non-selective) (antagonist radioligand; 67.1%) and Na+channel (site 2) (antagonist radioligand; 75.1%). However, the potency of GAL 475 at these receptors was lower than 1 micromolar and therefore not considered to be pharmacologically interesting. An unexpected finding was however that at 30 micromolar, GAL475 enhanced rather than inhibited NTS1 (h) (agonist radioligand) by 32% suggesting it to be a positive allosteric modulator (PAM). GAL475 was subsequently tested for PAM activity at the human NTS1 (FAST-0330I) and NTS2 (FAST-0331I) receptors, at 100-50,000 nanomolar concentrations. 
12725	1	PLpro Inhibition Assay	The assays were performed in 40 μL total volume in black half area 96-well plates (Greiner PN 675076) at 25° C. The assay buffer contained 20 mM Tris-HCl pH 7.45, 0.1 mg/mL bovine serum albumin fraction V, and 2 mM reduced glutathione. The final DMSO concentration in all assays was 2.5% v/v. PLpro initial rates were measured using a previously established fluorogenic peptide substrate assay (e.g., K. Ratia et al., Proc. Natl. Acad. Sci. USA, 105(42), 16119-24, 2008). The substrates Z-LRGG-AMC and Z-RLRGG-AMC were dissolved to 10 mM in DMSO and stored in aliquots at −20° C. To determine Michaelis-Menten parameters, 20 μL enzyme solution was dispensed into wells (250 nM final concentration), and reactions were initiated by adding 20 μL substrate to 0-500 μM final concentration, in triplicate. Release of aminomethylcoumarin (AMC) was monitored by a fluorescence plate reader every 50 s with an excitation wavelength of 345 nm and an emission wavelength of 445 nm, 6.25 mm read height, and gain=60. After background subtraction of the average of no-enzyme negative controls, product formation was quantified using a 0.02-5 μM calibration curve of AMC. Initial rates were determined for time points in the initial linear range by linear regression in Excel, and GraphPad Prism 9 was used to perform nonlinear regression of the Michaelis-Menten equation to the initial rate vs. substrate concentration data to yield KM and Vmax.Inhibitors were characterized by dispensing 10 μL enzyme solution into wells (115 nM final concentration), followed by 10 μL inhibitor solution at 4× desired final concentrations in 5% v/v DMSO in at least duplicate, centrifuging briefly, and incubating for 30 min. Reactions were initiated by adding 20 μL substrate to 100 μM final concentration. Initial rates were determined as described above and % residual activities were determined by normalizing to the average of no inhibitor controls (100% activity).
12726	1	RET Kinase Assay	The experimental steps are as follows:(1) The test compound (the compound of the present disclosure, and compound 164 in WO2018017983A1 as a control) was dissolved in 100% DMSO to a final concentration of 10 mM.(2) 4 μL of the test compound solution prepared in step (1) was dissolved with 46 μL of 100% DMSO, and the solution obtained in this step was numbered as No. 2.(3) No. 2 solution was subjected to subsequent gradient dilution with a dilution factor of 5 times (i.e. 20 μL of 100% DMSO was added to 5 μL of the compound), a total of 9 gradients, numbered 3 to 11.Note: No. 2 was not used for the dilution in step (4).(Unless otherwise specified, the following steps need to be carried out on ice)(4) The buffer provided in the kit (Cisbio, Cat. No. 62TK0PEB) was used to continuously serially dilute the solutions numbered from 3 to 11 with a dilution factor of 20 times (that is, adding 19 μL of buffer to the solutions numbered from 3 to 11). At this time, the final concentration range of the test compound in the system No. 3 to 11 was 3200 nM˜0.008 nM (9 gradients), and the final concentration of DMSO was 2%.(5) 9 compound solutions of gradient concentration in step (4) were added into a 384-well plate in order according to their concentration at 4 μL per well, and two duplicate wells were set.(6) 2 μL of human RET protein was added to each well and incubated on ice for 10 minutes.(7) 2 μL of ATP (Sigma #A7699) and 2 μL of biotinylated polypeptide substrate (Cisbio, Cat. No. 62TK0PEB) were added to each well to start the phosphorylation reaction, and incubated at 37° C. for half an hour.(8) 5 μL of anti-phosphotyrosine antibody coupled with europium compound (provided in the kit, Cat. No. 62TK0PEB) and 5 μL of streptavidin coupled with modified allophycocyanin XL665 (Cisbio, Cat. No. 62TK0PEB) were added to each well.(9) The plate was continued to incubate for 1 hour at room temperature. After the incubation, the TF-FRET mode of the microplate reader (BMG Labtech, model: FLUOStar Omega) was adopted to measure the fluorescence intensity at an excitation wavelength of 304 nM and emission wavelengths of 615 nM and 665 nM in each well. The ratio would be calculated automatically.(10) By comparing the fluorescence intensity ratio in the control group, the inhibition rate of the compound at each concentration was calculated, and GraphPad Prism 5 was used to perform curve fitting with logarithmic concentration-inhibition rate to calculate the IC50 value of the compound. 
12727	1	Cbl-b Displacement Assay (Cbl-b Inhibition Assay)	Table 2: Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL (Example 54). Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 μL reaction volume by pre-incubating 0.5 nM Cbl-b or 0.125 nM Cbl-b (final concentration, indicated as “High” and “Low”, respectively) in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for one hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional one hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the one hour incubation, the plates were read for TR-FRET signal at 520/620 nm using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
12727	2	Cbl-b Displacement Assay (Cbl-b Inhibition Assay)	Table 8-1: Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL. Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 μL reaction volume by pre-incubating 0.5 nM Cbl-b or 0.125 nM Cbl-b (final concentration, indicated as “High” and “Low”, respectively) in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for one hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional one hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the one hour incubation, the plates were read for TR-FRET signal at 520/620 nm using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
12727	3	Cbl-b Displacement Assay (Cbl-b Inhibition Assay)	Table 11-1: Fluorescently-labeled inhibitor probe was synthesized and tagged with BODIPY FL. Cbl-b displacement assays were performed in a 384-well plate at room temperature in a 10 μL reaction volume by pre-incubating 0.5 nM Cbl-b or 0.125 nM Cbl-b (final concentration, indicated as “High” and “Low”, respectively) in an assay buffer containing 20 mM HEPES pH 7.5, 150 mM NaCl, 0.01% Triton X-100, 0.01% BSA and 0.5 mM TCEP in the presence of a candidate compound in 1% DMSO (final concentration) for one hour. After incubation in the presence of the candidate compound, the plate was incubated for an additional one hour in the presence of an approximate EC40 binding saturation consisting of 150 nM fluorescently-labeled inhibitor probe and 2 nM Streptavidin-Terbium (Cisbio) (final concentrations). Following the one hour incubation, the plates were read for TR-FRET signal at 520/620 nm using an Envision plate reader (Perkin Elmer). The presence of a TR-FRET signal indicated that the probe was not displaced from Cbl-b by the compound candidate. The absence of a FRET signal indicated that the probe was displaced from Cbl-b by the compound candidate.
12728	1	TBD	TBD
12729	1	Mpro Enzyme Activity Assay	The recombinant SARS-CoV-2 Mpro (with a final concentration of 750 nM) was mixed with a series of dilutions for each compound in 25 μL assay buffer (20 mM Tris-HCl, pH 7.5, 150 mM NaCl, 1 mM EDTA, 2 mM DTT) and incubated for 10 min. The reaction was initiated by adding 25 μL of fluorescent substrate (MCA-AVLQ↓SGFR-Lys (Dnp)-Lys-NH2), with a final concentration of 20 μM, and the fluorescence signal at 320 nm (excitation)/405 nm (emission) was measured using the microplate reader (BMG). The Vmax of the reaction with the addition of compounds at different concentrations was calculated, together with the Vmax of the reaction with the addition of DMSO, that were used to generate an IC50 curve. For each compound, the IC50 value of anti-SARS-CoV-2 Mpro was measured using 9 concentrations, with 3 independent repeated experiments.
12730	1	Evaluation of Mitochondrial Pyruvate Carrier (MPC) Inhibitory Activity of MIN-102 BRET-Assay	The MPC is a heterodimer composed of two subunits, MPC1 and MPC2. MPC1 and MPC2 interact to form an active carrier. In the assay, MPC2 was fused to Rluc8 (Donor) and MPC1 to Venus (Acceptor). These chimeric proteins were stably expressed in HEK cells. BRET activity was measured following addition of coelenterazine in the culture medium. Coelenterazine enters into cells and in contact with luciferase Rluc8 emits light, which activates the emission of fluorescence by the Acceptor, provided the distance between the Donor and Acceptor is <100 nm. If the distance between Donor and Acceptor is >100 nm, no BRET activity is measured. The level of BRET activity reflects a change in the conformation of the MPC: it is high when the carrier is in a closed conformation, low when the carrier is at rest and intermediary when it transports pyruvate. In this case, the BRET activity is the mean value between the BRET value when the carrier is at rest (Maximal distance between Donor and Acceptor) and the BRET value when it is closed (Shortest distance between Donor and Acceptor).
12731	1	Human DHODH Inhibition Assay	The in vitro inhibition of hDHODH was measured using an N-terminally truncated recombinant hDHODH enzyme as described in J. Med. Chem. 2006; 49:1239. Briefly, the hDHODH concentration was adjusted in a way that an average slope of approximately 0.2 AU/min served as the positive control (e.g. without inhibitor). The standard assay mixture contained 60 μM 2,6-dichloroindophenol, 50 μM decylubiquinone and 100 μM dihydroorotate. The hDHODH enzyme with or without at least six different concentrations of the compounds was added and measurements were performed in 50 mM TrisHCl, 150 mM KCl and 0.1% Triton X-100 at pH 8.0 and at 30° C. The reaction was started by adding dihydroorotate and measuring the absorption at 600 nm for 2 min.
12733	1	In Vitro DGAT2 Assay	For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 μL of compounds dissolved in 100% DMSO and spotted at the bottom of each well, 5 μL of 0.04% bovine serum albumin (BSA) (fatty acid free, Sigma Aldrich) was added and the mixture was incubated at room temperature for 15 minutes. hDGAT2 membrane fractions were diluted in 100 mM Hepes-NaOH, pH 7.4, 20 mM MgCl2 containing 200 nM methyl arachidonyl fluorophosphonate (Cayman Chemical; dried from ethyl acetate stock solution under argon gas and dissolved in DMSO as 5 mM stock). 10 μL of this enzyme working solution was added to the plates and incubation continued for 2 hours at room temperature. DGAT2 reactions were initiated by the addition of 4 μL of substrates containing 30 μM [1-14C]decanoyl-CoA (custom-synthesized by Perkin Elmer, 50 mCi/mmol) and 125 μM 1,2-didecanoyl-sn-glycerol (Avanti Polar Lipids) dissolved in 12.5% acetone. The reaction mixtures were incubated at room temperature for 40 min and the reactions were stopped by addition of 5 μL of 1% H3PO4. After the addition of 45 μL MicroScint-E (Perkin-Elmer), plates were sealed with Top Seal-A covers (Perkin-Elmer) and phase partitioning of substrates and products was achieved using a HT-91100 microplate orbital shaker (Big Bear Automation, Santa Clara, CA). Plates were centrifuged at 2,000×g for 1 minute in an Allegra 6R Centrifuge (Beckman Coulter) and then were sealed again with fresh covers before reading in a 1450 Microbeta Wallac Trilux Scintillation Counter (Perkin Elmer). DGAT2 activity was measured by quantifying the generated product [14C]tridecanoylglycerol in the upper organic phase.
12734	1	PDE3 Assay	Evaluation of the effects of compounds on the activity of the human phosphodiesterase-3A is quantified by measuring the formation of 5′AMP from cAMP using a human recombinant enzyme expressed in a clonal isolate of Spodoptera frugiperda cells (Sf9) cells.The test compound, reference compound or water (control) are added to a buffer containing 40 mM tris(hydroxymethyl)aminomethane (Tris)/HCl (pH 7.4) and 8 mM MgCl2, 450 nMcAMP and 0.25 μCi [3H]cAMP.Thereafter, the reaction is initiated by addition of the enzyme (about 1 U) and the mixture is incubated for 20 min at 22° C.For basal control measurements, the enzyme is omitted from the reaction mixture. Following incubation SPA beads are added. After 30 min at 22° C. under shaking, the amount of [3H]+ 5′AMP is quantified with a scintillation counter (Topcount, Packard).The results are expressed as a percent inhibition of the control enzyme activity. The standard inhibitory reference compound is milrinone (CAS number 78415-72-2), which is tested in each experiment at several concentrations to obtain an inhibition curve from which its IC50 value is calculated.
12735	1	Biological Assay	Reaction buffers used for the lipoxygenase assay were as follows: 25 mM HEPES (pH 7.5), with 0.01% Triton X-100. 1 mM 12-HPETE or 1 mM 15-HPETE stock solution was prepared in 25 mM HEPES with 0.01% Triton X-100.The standard curve of 12-HPETE was made by serial dilution of 0, 6.25, 12.5, 25, 50, 75 and 100 μM, and the final reaction volume in 96 Well Clear Flat Bottom UV-Transparent Microplate is 100 μL. The absorbance of the 12-HPETE at each concentration was measured at 234 nm.The standard curve of 15-HPETE was made by serial dilution of 0, 3.125, 6.25, 12.5, 25, 50 and 100 μM, and the final reaction volume in 96 Well Clear Flat Bottom UV-Transparent Microplate is 100 μL. The absorbance of the 12-HPETE at each concentration was measured at 234 nm.[0453]IC50 values were obtained by determining the % inhibition at various inhibitor concentrations. The final concentrations of the control inhibitors and test compounds in the IC50 determination assay are 0, 0.03, 0.1, 0.3, 1, 3, 10 and 20 μM. The final concentration of DMSO in the assay is 0.05%.12-LOX IC50 determination. The 12-LOX enzyme and AA were diluted in the HEPES buffer to 120 nM and 200 μM, respectively. Pre-incubation 50 μL of indicated test compounds and 25 μL 120 nM enzyme at room temperature for 5 min. The reaction is started by adding 25 μL 200 μM AA. After a short spin (1000 rpm, 15 s), incubate the reaction system for 5 min. The blank control was set by adding 25 μL HEPES to 50 μL of control inhibitor compound (MHL355) and 25 μL 200 μM AA. The final concentrations of 12-LOX enzyme and AA were 30 nM and 50 μM, respectively. The absorbance of the 12-HPETE at 234 nm was measured.
12736	1	ATR Enzyme Assay	I. Experimental Materials and Instruments1. ATR enzyme (Eurofins Pharma Discovery Services, 14-953M)2. GST-tagged P53 protein (Eurofins Pharma Discovery Services, 14-952M)3. 384-well plate (Geriner bio-one, 784075)4. U-bottom 96-well plate (Geriner bio-one, 651201)5. Anti-phospho-P53 protein antibody labeled with europium cryptate (cisbio, 61P08KAZ)6. Anti-GST antibody linked to d2 (cisbio, 61GSTDLB)7. ATP solution (Sigma, R0441)8. DTT (Sigma, D0632-259)9. HEPES (Sigma, 15630080)10. Microplate reader (Envision 2104 Multilabel Reader)II. Experimental Steps15 nM ATR enzyme, 80 nM P53 protein, 300 nM ATP (the final concentrations were 40 nM and 150 nM, respectively), and small molecule compounds of various concentrations (the final concentrations (nM) of the ten points were 2985.0, 895.5, 298.5, 110.56, 33.17, 11.06, 4.09, 1.23, 0.41 and 0.15, respectively, and the final dimethyl sulfoxide concentration was 0.498%) were mixed and incubated at room temperature for 90 minutes. 10 μL of 2× cocktail buffer was added to the mixture of ATR, compound and substrate in the assay plate (anti-phospho-p53-Eu and anti-GST-d2 were diluted in the assay buffer). The resulting mixture was centrifuged at 1000 rpm for 30 seconds, and incubated overnight at 4° C. in the dark (a total of 20 μl in each well). The FRET signal (endpoint) was measured in the Envision instrument (HTRF 665/612 ratio was calculated at 665 nm emission and 612 nm emission). Data were processed using GraphPad software.
12737	1	VNN1 Inhibitor Binding Assay	5 μL of 3× (45 μM) of Pantothenate-AMC to achieve final concentrations of 15 μM (0.25% DMSO final) were added in a 384 well assay plate followed by the addition of 5 μL of 3× the desired concentration of the tested compounds (Compound 1; Compound 2; and RR6) in 0.75% DMSO to designated wells (0.25% of DMSO final). The range of the compound concentrations tested was 10, 3.33, 1.11, 0.37, 0.12, 0.04, 0.01, 0.0046, 0.001, and 0.0005 μM. 5 μL of 0.75% DMSO were also added to positive and negative control wells.5 μL of 1.4 ng/μL Vanain-1 was added to the assay plate to achieve a final amount of 7 ng/well, and covered with plate sealer. Another 5 μL of assay buffer was added to negative controls and the assay plate was then centrifuged briefly (1000 rpm for 30 s) in a plate centrifuge. The assay plate was incubated in the dark for 20 minutes at room temperature and immediately read on an Envision 2105, PerkinElmer multimode plate reader.The fluorescence read was captured at excitation wavelength of 355 nm and emission wavelength of 460 nm.
12738	1	In Vitro DGKalpha and DGKdelta Inhibition Assays	For compound inhibition studies, 40 nL test compound in DMSO was added to wells of white polystyrene plates in 384-well (Greiner, #784075) or 1536-well format (Greiner, #782075). Compounds were added with top concentration of 2 mM with 11 point, 3-fold dilution series. Enzyme solution (contains 2× DGK enzyme concentration in 1× assay buffer) was added to the plate in 2 μL/well volume, followed by 2 μL/well of substrate solution (contains 2× concentration of ATP and DLG substrate in 1× assay buffer). Plates were then centrifuged for 1 min at 1200 RPM and sealed or lidded. For 4 μL reaction volume, test compounds were therefore diluted 100× to final top concentration of 20 μM. After 90 minute incubation, reactions were quenched by addition of 2 μL/well Promega ADP-Glo Reagent, followed by centrifugation and lidding. After 60 min incubation, 2 μL/well Promega Kinase Detection Reagent was added, plates centrifuged, and incubated for 30 min. Plates were then read using Luminescence method on BMG PHERAstar FSX plate reader. Percent inhibition was calculated and IC50s were determined using 4-parameter fit in Genedata Screener. Labcyte Echo acoustic dispenser was used for compound addition, and Formulatrix Tempest liquid handler was used for all reagent dispenses.
12739	1	Polθ Polymerase Activity Assay	The ability of compounds to inhibit Pol 0 polymerase activity was determined by the PicoGreen method in vitro.The His-TEV-SUMO-tagged Polθ protein (amino acids 1792-2590) expressed in E. coli was purified and stored in aliquots at −80° C.The composition of the assay buffer is 25 mM Tris HCl pH 7.5, 12.5 mM NaCl, 0.5 mM MgCl2, 5% glycerol, 0.01% Triton X-100, 0.01% BSA, and 1 mM DTT.Test compounds were diluted in 100% DMSO and diluted three-fold into 10 concentration points in a dilution plate (Greiner-781280) using Bravo (Agilent) according to concentration requirements. The compounds diluted in DMSO were then diluted 20-fold in the assay buffer using Bravo. Further, 2 μl of diluted compounds were transferred to the assay plate (Corning-4512) using Bravo. The purified Pol 0 enzyme and primers ((primer strand: 5′-GCGGCTGTCATAAG-3′, SEQ ID NO: 1):(template strand: 5′-GCTACATTGACAATGGCATCAAATCTCAGATTGCGTCTTATGACAGCCGCG-3′, SEQ ID NO: 2)=1:1.1) were prepared at a working concentration of 2.5× (1.5 nM Polθ and 50 nM PTD) in the assay buffer, transferred to the assay plate at 4 μl per well using an E1-CLIPTIP 12-channel pipette (Thermo, 1-30 l), and incubated at room temperature for 30 min. dNTP (Sigma-D7295) was diluted with the assay buffer to a working concentration of 2.5× (40 uM dNTP), transferred to the assay plate at 4 μl per well (final DMSO concentration of 1%) using an El-CLIPTIP 12-channel pipette (Thermo, 1-30 l), and incubated at room temperature for 60 min. A mixture containing 10 mM EDTA, 25 mM Tris pH 7.5, and a 1:200 diluted PicoGreen dye (Invitrogen-P7581) was added to the assay plate at 6 μl per well to stop the reaction. After 30 min of reaction at room temperature in the dark, fluorescence values were read on EnVision 2105 (PerkinElmer) using the Ex480 nm Em520 nm program, and the raw data was analyzed using XLfit to generate IC50 values.
12740	1	CDK12/CycK High ATP Kinase Assay	For the assay 50 nanoL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 microL of a solution of CDK12/CycK in aqueous assay buffer [25 millimol/L HEPES pH 7.5, 20 millimol/L MgCl2, 5 millimol/L β-glycerophosphate, 2 millimol/L EGTA, 1.0 millimol/L dithiothreitol, 0.01% (v/v) Nonidet-P40 (Sigma), 0.01% (w/v) bovine serum albumin] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 microL of a solution ATP (3.33 millimol/L=>final conc. in the 5 microL assay volume is 2 millimol/L) and substrate (1.67 micromol/L=>final conc. in the 5 microL assay volume is 1 micromol/L) in assay buffer and the resulting mixture was incubated for a reaction time of 60 min at 22° C. The concentration of CDK12/CycK was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were about 0.75 nanomol/L. The reaction was stopped by the addition of 3 microL of a solution of TR-FRET detection reagents (125 nanomol/L streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 0.67 nanomol/L anti-Phospho-c-Myc (Ser 62) (E1J4K)-antibody from Cell Signalling [#13748] and 2 nanomol/L LANCE EU-W1024 labeled anti-rabbit IgG antibody [Perkin-Elmer, product no. 0083]) in an aqueous EDTA-solution (133 millimol/L EDTA, 0.27% (w/v) bovine serum albumin in 66.7 millimol/L HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Pherastar FS (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). 
12740	2	CDK2/CycE Kinase Assay	For the assay 50 nanoL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 microL of a solution of CDK2/CycE in aqueous assay buffer [50 millimol/L Tris/HCl PH 8.0, 10 millimol/L MgCl2, 1.0 millimol/L dithiothreitol, 0.1 millimol/L sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 microL of a solution of adenosine-tri-phosphate (ATP, 3.33 millimol/L=>final conc. in the 5 microL assay volume is 2 millimol/L) and substrate (1.25 micromol/L=>final conc. in the 5 microL assay volume is 0.75 micromol/L) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK2/CycE was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 10 ng/ml. The reaction was stopped by the addition of 3 microL of a solution of TR-FRET detection reagents (0.333 micromol/L streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nanomol/L anti-RB (pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 2 nanomol/L LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077, as an alternative a Terbium-cryptate-labeled anti-mouse IgG antibody from Cisbio Bioassays can be used]) in an aqueous EDTA-solution (167 millimol/L EDTA, 0.2% (w/v) bovine serum albumin in 100 millimol/L HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer).
12740	3	CDK9/CycT1 High ATP Kinase Assay	For the assay 50 nanoL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into either a black low volume 384 well microtiter plate or a black 1536 well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 2 microL of a solution of CDK9/CycT1 in aqueous assay buffer [50 millimol/L Tris/HCl PH 8.0, 10 millimol/L MgCl2, 1.0 millimol/L dithiothreitol, 0.1 millimol/L sodium ortho-vanadate, 0.01% (v/v) Nonidet-P40 (Sigma)] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 microL of a solution of adenosine-tri-phosphate (ATP, 3.3 millimol/L=>final conc. in the 5 microL assay volume is 2 millimol/L) and substrate (1.25 micromol/L=>final conc. in the 5 microL assay volume is 0.75 micromol/L) in assay buffer and the resulting mixture was incubated for a reaction time of 25 min at 22° C. The concentration of CDK9/CycT1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, typical concentrations were in the range of 0.5 microg/ml. The reaction was stopped by the addition of 3 microL of a solution of TR-FRET detection reagents (0.33 micromol/L streptavidine-XL665 [Cisbio Bioassays, Codolet, France] and 1.67 nanomol/L anti-RB (pSer807/pSer811)-antibody from BD Pharmingen [#558389] and 2 nanomol/L LANCE EU-W1024 labeled anti-mouse IgG antibody [Perkin-Elmer, product no. AD0077]) in an aqueous EDTA-solution (167 millimol/L EDTA, 0.2% (w/v) bovine serum albumin in 100 millimol/L HEPES pH 7.5).The resulting mixture was incubated 1 h at 22° C. to allow the formation of complex between the phosphorylated biotinylated peptide and the detection reagents. Subsequently the amount of phosphorylated substrate was evaluated by measurement of the resonance energy transfer from the Eu-chelate to the streptavidine-XL. Therefore, the fluorescence emissions at 620 nm and 665 nm after excitation at 350 nm was measured in a TR-FRET reader, e.g. a Pherastar (BMG Labtechnologies, Offenburg, Germany) or a Viewlux (Perkin-Elmer). 
12741	1	CDK4/Cyclin D1 and CDK6/Cyclin D3 Biochemical Assay	Compounds disclosed herein were tested for inhibition of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase in an assay based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assay was carried out in 384-well low volume black plates in a reaction mixture containing CDK4/Cyclin D1 or CDK6/Cyclin D3, 1 mM ATP, 0.15 μM Rb (Ser780)-biotin substrate and 0-10 CM compound in buffer containing 50 mM HEPES pH7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 50 mM MgCl2, 1 mM DTT and 0.005% Tween-20. The kinase was incubated with compound for 60 minutes at room temperature and the reaction was initiated by the addition of ATP and Rb (Ser780)-biotin substrate. After reaction at room temperature for 120 minutes, an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (Cisbio Bioassays). The stop/detection solution contained Streptavidin-XL665 and Anti-pRb (Ser780) mAb-Eu Cryptate in Detection buffer (Cisbio Bioassays). Plates were incubated at room temperature for 60 minutes, and the TR-FRET signals (ex337 nm, em665 nm/620 nm) were recorded on a PHERAstar FSX plate reader (BMG Labtech). The inhibition percentage of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm.
12742	1	TR-FRET Assay	The ability of some compounds of the present invention to inhibit POLRMT were determined in a homogeneous TR-FRET Assay using high-throughput screening in a 384-well plate format. This method is used to monitor the activity of mitochondrial transcription through measurement of its product, a 407 bp long RNA transcript. Detection of the product is facilitated by hybridization of two DNA-oligonucleotide probes to specific and adjacent sequences within the RNA product sequence. Upon annealing of the probes, two fluorophores are coupled directly to an acceptor nucleotide probe (ATTO647, 5′), or introduced via a coupled streptavidin with a biotinylated donor nucleotide probe (Europium cryptate) that is brought into sufficient proximity to serve as a fluorescence-donor-acceptor pair. Thus, a FRET signal at 665 nm is generated upon excitation at 340 nm.Proteins used as transcription factors (POLRMT: NP_005026.3, TFAM: NP_003192.1, TFB2M: NP_071761.1) are diluted from their stocks to working concentrations of 1 μM, 20 μM and 4 μM respectively, in a dilution buffer containing 20 mM Tris-HCl (pH 8.0), 200 mM NaCl, 10% (v/v) glycerol, 1 mM Dithiothreitol (DTT), 0.5 mM EDTA.DNA template is a pUC18 plasmid with the mitochondrial light strand promotor sequence (1-477) cloned between HindIII and BamHI sites. The DNA template is restriction linearized proximal to the promotor 3′-end (pUC-LSP).The reaction mixture (10 uL) containing 7.5 nM POLRMT, 15 nM of TFB2M, 30 nM of TFAM, 0.5 nM of DNA template and 500 μM nucleotide triphosphate mix (NTPs) in a reaction buffer (containing 10 mM Tris-HCl (pH 7.5), 10 mM MgCl2, 40 mM NaCl, 10 mM DTT, 0.005% (w/v) Tween-20, 160 units/ml Rnase inhibitor and 0.1 mg/mL BSA) are dispensed to compounds in microplates, using a Thermo Multidrop® dispenser, and incubated at 37° C. in a VWR INCU-Line incubator for 60 minutes after mixing. No nucleotide triphosphate mix is added to negative control samples. Microplates with compounds to be tested in the assay are prepared from 10 mM compound stocks in 100% DMSO, equal amounts of DMSO without any compound are added to positive control and negative control samples.
12743	1	Inhibition Assay	Compounds were tested for their activity by measuring the inhibition of PDE7A or PDE7B hydrolysis of [3H]cAMP to [3H]AMP. Generally, eight dilutions of compound were assayed in 50 mM Tris-HCl pH 7.5, 8.3 mM MgCl2, 0.5 mg/mL BSA, 1.7 mM EGTA, 16 nM [3H]cAMP, and 1% DMSO. PDE7A or PDE7B (typically 1-5 ng/mL) (BPS BioSciences, CA) is added to initiate the reaction. The reaction was incubated at 30° C. for 20 minutes. PDE7A and PDE7B hydrolysis was terminated by the addition of yttrium silicate beads (GE Healthcare, RPNQ0150) and counted on a Wallac Microbeta scintillation counter, 1-2 hours following the addition of the beads.
12744	1	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay	The samples were then mixed on a shaker for 1 minute and equilibrated for an additional 3 hours at room temperature. For each assay plate, a probe/antibody and protein/antibody/probe mixture were included as a negative and a positive control, respectively. Fluorescence was measured on the Envision (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak) and 495/510 nm (Tb-labeled anti-GST antibody) emission filters. Inhibition constants (Ki) were determined using Wang&#39;s equation. The TR-FRET assay can be performed in the presence of varying concentrations of human serum (HS) to determine apparent half maximal inhibitory concentration (IC50) after HS protein binding.
12732	1	DYRK1A Inhibition Assay	1. Add 5 μL enzyme & substrate mixture to each well in Column 2-23 and A24-H24 wells of the 384-well assay plate;2. Add 5 μL 0% Phosphorylation control to A1-H1 and I24-P24 wells of the assay plate;3. Add 5 μL 100% Phosphorylation control to I1-P1 wells of the assay plate;4. Spin the assay plate (1000 rpm, 1 minute @23° C.);5. Incubate enzyme with compounds for 15 minutes at 23° C.;6. Add 5 μL ATP solution to each well of the assay plate;7. Spin the plate (1000 rpm, 1 minute @23° C.);8. Incubate the assay plate for 90 minutes at 23° C.;9. Add 10 μL Development reagent A to each well of the assay plate;10. Centrifuge the plate at 1000 rpm about 15 seconds and seal a film over assay plate. Incubate the assay plate for 30 minutes at 23° C.11. Read assay plates on Envision (see Tables A, B, and C).Final Compound ConcentrationsAssay buffer: 50 mM Hepes pH7.5, 10 mM MgCl2, 1 mM EDTA, 0.01% Brij-35DYRK1A: 1 nMATP: 20 μMSer/Thr 18 peptide: 2 μMReaction time: 90 minutes.
12745	1	DYRK1A Inhibition Assay	1. Add 5 μL enzyme & substrate mixture to each well in Column 2-23 and A24-H24 wells of the 384-well assay plate;2. Add 5 μL 0% Phosphorylation control to A1-H1 and I24-P24 wells of the assay plate;3. Add 5 μL 100% Phosphorylation control to I1-P1 wells of the assay plate;4. Spin the assay plate (1000 rpm, 1 minute @23° C.);5. Incubate enzyme with compounds for 15 minutes at 23° C.;6. Add 5 μL ATP solution to each well of the assay plate;7. Spin the plate (1000 rpm, 1 minute @23° C.);8. Incubate the assay plate for 90 minutes at 23° C.;9. Add 10 μL Development reagent A to each well of the assay plate;10. Centrifuge the plate at 1000 rpm about 15 seconds and seal a film over assay plate. Incubate the assay plate for 30 minutes at 23° C.11. Read assay plates on Envision (see Tables A-D).
12746	1	CYP450 Enzyme Inhibition Assay	500 μL of a final incubation system contains 50 μL of human liver microsomes (protein concentration: 0.2 mg/mL, Corning), 1 μL of mixed CYP450 specific substrates (CYP1A2, CYP 2B6, CYP 2C9, CYP2C19, CYP 2D6, and CYP 3A4), 398 μL PBS buffer (pH7.4), 1 μL specific positive inhibitor (positive control group) or the test compound (formulated with acetonitrile), and 50 μL NADPH+MgCl2. Duplicate incubation systems of 0.5 mL each were formulated for each CYP450 subtype. A total volume of 450 μL of a uniformly mixed solution of the substrate and the enzyme was formulated in each tube, and the solution and NADPH were pre-incubated at 37° C. for 5 minutes, respectively. Then 50 μL of the mixed solution of NADPH+MgCl2 was added for reaction. 50 μL of the reaction solution was taken out at 30 minutes, and the reaction was terminated with 300 μL of ice acetonitrile containing an internal standard. In addition, two control groups of 500 μL each without NADPH were prepared in parallel as a negative control group.
12747	1	Enzymatic Assay	The potency of the five compounds was tested against recombinant GMPS in an enzymatic assay by monitoring UV absorbance at 290 nm and by determining an IC50. 
12748	1	[3H]-Radioligand Binding Assay	After thawing, membrane homogenates were resuspended in the binding buffer (8.5 mM HEPES, pH 7.4, 1.3 mM CaCl2, 1.2 mM MgSO4, 118 mM NaCl, 4.7 mM KCl, 4 mM NaHCO3, 1.2 mM KH2PO4, 11 mM glucose) to a final assay concentration of 6.4 μg (OX1) or 1.4 μg (OX2) protein per well. Saturation isotherms were determined by the addition of various concentrations (0-30 nM) of [3H]-4-(2,6-difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide (Christopher et al, MedChemComm., 2015, 6, 947-955) in a total reaction volume of 250 μL for 90 min at rt. At the end of the incubation, membranes were filtered onto a 96-well GF/B filter pre-incubated with 0.5% polyethylenimine, with a Tomtec cell harvester and washed 5 times with 0.5 mL distilled water. Non-specific binding (NSB) was measured in the presence of 3.33 μM [4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (Wertz et al, Angew. Chem. Int. Ed., 2011, 50, 11511-11515). Radioactivity on the filter was counted (1 min) on a Microbeta radiometric plate counter (Perkin Elmer) after addition of 50 μL of scintillation fluid (LabLogic: Part #SG-BXX-14). For competition binding experiments, membranes were incubated with [3H]-4-(2,6-difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide at a concentration equal to the KD value of the radioligand (1.5 nM for OX1 and 0.75 nM for OX2 receptors respectively) and 10 concentrations of the inhibitory compound (between the ranges of 10 μM-0.94 pmol). IC50 values were derived from the inhibition curve and the equilibrium dissociation constant (Ki) values were calculated using the Cheng-Prusoff equation.
12749	1	ABL1 Biochemical Kinase Assay	ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by centrifugation and resuspended in 50 mM Tris, 500 mM NaCl, 5 mM j-ME, pH 8.2. Cells were lysed by sonication and clarified by centrifugation. ABL1 was purified by affinity chromatography using a HisTrap column with a wash step in 4% wash buffer (50 mM Tris, 500 mM NaCl, 500 mM imidazole, 5 mM j-ME, pH 8.2) and eluted in a linear gradient of the same buffer. Fractions containing ABL1 were pooled, concentrated and further purified using an ion exchange column washed with 50 mM Tris, pH 8.3 and eluted with a linear gradient of elution buffer (50 mM Tris, 1M NaCl, pH 8.3). Purified protein was stored at −80° C. in 50 mM Tris (pH 8.2), 300 mM NaCl, 1 mM DTT and 20% glycerol.The activity of the enzyme and compound inhibition was tested using an EZ reader microfluidic mobility shift assay (PerkinElmer, Waltham, MA). For inhibition studies, compounds were serially diluted in DMSO, using an 11-point 3-fold format, from a 1000 μM top compound concentration. 20 nL per well of serial diluted compounds were transferred to Greiner polypropylene flat-bottom 384-well assay plates using an acoustic transfer system (Echo 550). A 15 μL reaction mixture containing fluorescent peptide, enzyme, buffer, co-factors and detergent was added to each well and incubated at room temperature (RT) for 30 minutes. 5 μL per well of an ATP solution was then added and reactions were carried out for 90 minutes before being quenched with 70 μL of stopping buffer containing 500 mM EDTA. The reactions were read on an EZ Reader (PerkinElmer, Waltham, MA) using a mobility shift readout. The final concentrations in each reaction were 1.5 μM FL-Peptide 2 (PerkinElmer, Waltham, MA), 1 nM ABL1 WT (64-515 aa) enzyme, 50 mM HEPES (pH 7.5), 1 mM EGTA, 2 mM DTT, 0.05% BSA, 10 mM MgCl2, 0.01% Triton-X100 and 20 M ATP. The final DMSO concentration was 0.1% and the final inhibitor concentration ranged from 1000 nM to 0.017 nM. Each compound was tested in duplicate and the inhibitor dose response curves analyzed using IC50 regression curve fitting using GraphPad Prism.
12750	1	In Vitro BTK Kinase Assay	The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured after monitoring the amount of phosphorylation of a fluorescein-labeled polyGAT peptide (Invitrogen PV3611) in the presence of active BTK enzyme (Upstate 14-552), ATP, and inhibitor. The BTK kinase reaction was done in a black 96 well plate (costar 3694). For a typical assay, a 24 μL aliquot of a ATP/peptide master mix (final concentration; ATP 10 μM, polyGAT 100 nM) in kinase buffer (10 mM Tris-HCl pH 7.5, 10 mM MgCl2, 200 μM Na3PO4, 5 mM DTT, 0.01% Triton X-100, and 0.2 mg/ml casein) is added to each well. Next, 1 pL of a 4-fold, 40× compound titration in 100% DMSO solvent is added, followed by adding 15 μL of BTK enzyme mix in 1× kinase buffer (with a final concentration of 0.25 nM). The assay is incubated for 30 minutes before being stopped with 28 pL of a 50 mM EDTA solution. Aliquots (5 μL) of the kinase reaction are transferred to a low volume white 384 well plate (Coming 3674), and 5 pL of a 2× detection buffer (Invitrogen PV3574, with 4 nM Tb-PY20 antibody, Invitrogen PV3552) is added. The plate is covered and incubated for 45 minutes at room temperature. Time resolved fluorescence (TRF) on Molecular Devices M5 (332 nm excitation; 488 nm emission; 518 nm fluorescein emission) is measured. IC50 values are calculated using a four parameter fit with 100% enzyme activity determined from the DMSO control and 0% activity from the EDTA control.
12751	1	IonWorks Barracuda (IWB) Automated Patch Clamp Assay	Human Nav1.7 currents were recorded in population patch-clamp mode with the IWB automated electrophysiology system (Molecular Devices, LLC, Sunnyvale, CA). Spiking HEK cells (without Kir2.1 transfection) were cultured and prepared for recordings as previously described for IonWorks Quattro testing1. The external solution consisted of the following (in mM): NaCl 140, KCl 5, CaCl2 2, MgCl2 1, HEPES 10, and glucose 11, pH 7.4, with N-methyl-D-glucamine at 320 mOsmol. The internal solution consisted of the following (in mM): KCl 70, KF 70, MgCl2 0.25, HEDTA 5, and HEPES 10, pH 7.25, with Nmethyl-D-glucamine, 300 mOsmol. From a holding potential of −110 mV, currents were elicited by a train of 26 depolarizations of 150 ms duration to −20 mV at a frequency of 5 Hz. Cells were then clamped to −20 mV for a period of 4 minutes in the presence of a single concentration of test compound. Following this compound incubation period, cells were clamped to −110 mV for three seconds to recover unbound channels and put through the same 26 pulse voltage protocol as above. Peak inward current during the 26th pulse to −20 mV in the presence of compound was divided by the peak inward current evoked by the 26th pulse to −20 mV in the absence of compound to determine percent inhibition.
12752	1	In Vitro MDM2 Assay	The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence) assay in which recombinant GST-tagged MDM2 binds to a peptide that resembles the MDM2-interacting region of p53 (Lane et al). Binding of GST-MDM2 protein and p53-peptide (biotinyiated on its N-terminal) is registered by the FRET (fluorescence resonance energy transfer) between Europium (Eu)-labeled anti-GST antibody and streptavidin-conjugated Allophycocyanin (APC). Test is performed in black flat-bottom 384-well plates (Costar) in a total volume of 40 uL containing:90 nM biotinylate peptide, 160 ng/ml GST-MDM2, 20 nM streptavidin-APC (PerkinElmer Wallac), 2 nM Eu-labeled anti-GST-antibody (PerkmElmerWallac), 0.02% bovine serum albumin (BSA), 1 mM dithiothreitol (DTT) and 20 mM Tris-borate saline (TBS) buffer as follows: Add 10 ul. of GST-MDM2 (640 ng/ml working solution) in reaction buffer to each well. Add 10 uL diluted compounds (1:5 dilution in reaction buffer) to each well, mix by shaking. Add 20 uL biotinyiated p53 peptide (180 nM working solution) in reaction buffer to each well and mix on shaker. Incubate at 37° C. for 1 h. Add 20 11 L streptavidin-APC and Eii-anti-GST antibody mixture (6 nM Eu-anti-GST and 60 nM streptavidin-APC working solution) in TBS buffer with 0.02% BSA, shake at room temperature for 30 minutes and read using a TRF-capable plate reader at 665 and 615 nm (Victor 5, Perk in ElmcrWallac).
12753	1	Homogenouse Time-Resolved Fluorescence (HTRF) Binding Assay	The purchased kit (CisBio, #64CUS000C-1) contains reagents required for experiments such as PD-1, PD-L1, anti-tag1-Eu, Anti-tag2-XL665, Dilute Buffer, and Detection Buffer.Experimental Steps1. The compound was configured with 100% DMSO into 10 concentrations with a concentration gradient of 3 times.2. The DMSO solution of the compound was added to Dilute Buffer solution, and the mixture was mixed well and transferred to a 96-well plate.3. PD-L1 was diluted with Dilute Buffer solution and then added to the above 96-well plate.4. PD-1 was diluted with Dilute Buffer solution and then added to the above 96-well plate, and incubated at room temperature for 30 minutes.5. One part of anti-tag1-Eu and one part of Anti-tag2-XL665 were added to Detection Buffer solution, and the mixture was mixed well and transferred to the above 96-well plate.6. The mixture in the 96-well plate was incubated at room temperature for 1 to 24 hours.7. The HTRF values were read with Envision.
12754	1	In Vitro Assay	Kinase assays. For most assays, kinase-tagged T7 phage strains were grown in parallel in 24-well blocks in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage from a frozen stock (multiplicity of infection=0.4) and incubated with shaking at 32° C. until lysis (90-150 minutes). The lysates were centrifuged (6,000×g) and filtered (0.2 μm) to remove cell debris. The remaining kinases were produced in HEK293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific phage binding. Binding reactions to screen test compounds for kinase binding activity were assembled by combining kinases, liganded affinity beads, and test compounds in 1×binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polypropylene 384-well plates in a final volume of 20 μL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12755	1	Biochemical CDK Inhibition Assay	nhibitory effects of the compounds of the disclosure were measured in biochemical assays that measure the enzymatic phosphorylation activity of CDK enzyme in complex of Cyclin proteins phosphorylates 7.5 micromolar fluorescently labelled peptide substrate, 5-FAM-QSPKKG-CONH2, (FL-Peptide 18, Perkin Elmer, 760362) in the presence of adenosine-5′-triphosphate (ATP) and varying concentrations of the test compound in 100 mM 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (HEPES), pH 7.5, 10 mM MgCl2, 0.015% Brij-35, 1 mM dithiothreitol (DTT), 1.0% dimethylsulfoxide (DMSO). Assays were performed at 1.0 mM ATP or at ATP Km of the CDK enzymes in complex with Cyclin proteins. Reactions proceeded until between 10% to 20% total peptides were phosphorylated at room temperature (25° C.) and were terminated with 35 mM 2,2′,2″,2′″-(ethane-1,2-diyldinitrilo)tetraacetic acid (EDTA). Product was detected using the Caliper mobility shift detection method where the phosphorylated peptide (product) and substrate were electrophoretically separated and measured. Percent activity was plotted against log concentration of compound and points to generate an apparent IC50. The following CDK enzymes in complex with different cyclin proteins were used in these assays:CDK1/Cyclin B1, GST-tag (BPS, 40454), 1.5 nM used in the assayCDK2/Cyclin E (Eurofins, 14-475), 1.25 nM used in the assays
12756	1	TBD	TBD
12757	1	Menin-MLL Interaction Inhibitory Activity Assay	The inhibition of Menin/MLL-4-43 peptide interaction by small molecule inhibitors was quantitatively detected by fluorescence polarization competition assay. The experiment was performed in a 384-well plate (Corning, Cat #3575) using a reaction buffer consisting of 50 mM Tris, pH 7.5, 50 mM NaCl, and 1 mM DTT. A 40 μL reaction system included 10 μL of 8 nM Menin recombinant protein and 10 μL of the test compound at different concentrations. The compound was pre-incubated with Menin protein for 15 min, and then 20 μL of 10 nM FITC-MLL4-43-peptide was added. After incubation on a shaker at 25° C. for 60 min, the fluorescence polarization signal (FP 485 520 520) was read using BMG PHERAStar detection. The experimental data was analyzed and processed by GraphPad Prism 6 software to obtain the IC50 value.
12758	1	Biochemical kinase assay wt-BTK	To determine the inhibitory activity of compounds on wt-BTK enzyme activity, the IMAP® assay (Molecular Devices) was used. Compounds were serially diluted in dimethylsulfoxide (DMSO) and subsequently in 4% DMSO in IMAP reaction buffer, which consists of 10 mM Tris-HCl, pH 15 7.5, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3 and 1 mM freshly prepared dithiotreitol (DTT). Compound solution was mixed with an equal volume of full-length wt-BTK enzyme (Carna Biosciences, cat. no. 08-180) in IMAP reaction buffer. After pre-incubation of 1 hour in the dark at room temperature, fluorescein-labeled MBP-derived substrate peptide (Molecular Devices, cat. no. RP 7123) was added, followed by ATP to start the reaction. Final enzyme concentration was 1.2 nM, final substrate concentration 50 nM, and final ATP concentration was 4 μM. The reaction was allowed to proceed for 2 hours at room temperature in the dark. The reaction was stopped by quenching with IMAP progressive binding solution according to the protocol of the manufacturer (Molecular Devices). Fluorescein polarization was measured on an Envision multimode reader (Perkin Elmer, Waltham, MA, U.S.A.). 
12758	2	Biochemical kinase assay BTK C481 S	To determine the inhibitory activity of compounds on BTK C481S enzyme activity, the IMAP® assay (Molecular Devices) was used. Compounds were serially diluted in dimethylsulfoxide (DMSO) and subsequently in 4% DMSO in IMAP reaction buffer, which consists of 10 mM Tris-HCl, pH 15 7.5, 10 mM MgCl2, 0.01% Tween-20, 0.1% NaN3 and 1 mM freshly prepared dithiotreitol (DTT). Compound solution was mixed with an equal volume of full-length BTK C481S enzyme (Carna Biosciences, cat. no. 08-547) in IMAP reaction buffer. After pre-incubation of 1 hour in the dark at room temperature, fluorescein-labeled MBP-derived substrate peptide (Molecular Devices, cat. no. RP 7123) was added, followed by ATP to start the reaction. Final enzyme concentration was 1.2 nM final substrate concentration 50 nM, and final ATP concentration was 7 μM. The reaction was allowed to proceed for 2 hours at room temperature in the dark. The reaction was stopped by quenching with IMAP progressive binding solution according to the protocol of the manufacturer (Molecular Devices). Fluorescein polarization was measured on an Envision multimode reader (Perkin Elmer, Waltham, MA, U.S.A.). IC50 were calculated using XLfit™5 software (ID Business Solutions, Ltd., Surrey, U.K.).
12759	1	Screening Assay Against IRAK4 with ATP	Table 2: Prepare Ix kinase base buffer and stop buffer for testing kinases: (1) base buffer: 50 mM HEPES (pH 7.5), 0.0015% Brij-35; (2) stop buffer: 100 mM HEPES (pH 7.5), 0.015% Brij-35, 0.2% Coating Reagent #3, 50 mM EDTA. Then prepare compounds for testing: Dilute the compound to 50× of the final desired highest inhibitor concentration in reaction by 100% DMSO. Transfer 100 μL of this compound dilution to a well in a 96-well plate (source plate).Serially dilute the compounds by 3-fold for a total of 10 points. Transfer 10 μL of the compound from the source plate to a new 96-well plate (intermediate plate) and add 90 μL of Ix kinase buffer. Shake the mixture on the intermediate plate for 10 min. Transfer 5 μL of each well from the 96-well intermediate plate to a 384-well plate in duplicates. Add 10 μL of 2.5× enzyme solution to each well of the 384-well assay plate and incubate at room temperature for 10 min. Add 10 μL, of 2.5×FAM-labeled peptide and ATP solution and incubate at 28° C. for a period of time. 
12759	2	Competition Binding Assay	Table 3: The Equilibrium dissociation constant reflected the test compound&#39;s kinase binding (Kd). The KINOMEscan, a site-directed competition binding assay, was used to measure interactions between test compounds and specific kinases. The kinase-tagged T7 phage strains were derived from the BL21 strain&#39;s E. coli host. T7 phage was used to infect E. coli, which was then incubated until lysis occurred. The remaining kinases were produced in HEK-293 cells and tagged with DNA. To create affinity resins for kinase, streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands. The assay consists of three components: a DNA-tagged kinase, an immobilized ligand, and the test compound. An immobilized ligand could compete with the compound binding the kinase active site. The affinity beads were washed with wash buffer and re-suspended in elution buffer following reactions in a polypropylene 384-well plate. qPCR of the kinase-DNA tag was used to assess the test compound&#39;s ability to bind with the selected kinase. The assay was carried out in accordance with the manufacturer&#39;s instructions (Eurofins DiscoverX Corporation).
12760	1	Biochemical Assay	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). All reactions were performed in polystyrene 96-well plates in a final volume of 0.135 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12761	1	Enzyme Inhibition Assay	Leucyl-tRNA Synthetasea. Single Point Percentage InhibitionThe activity of the pathogenic aaRSs was monitored by measuring AMP production using the commercial kit AMP-Glo (Promega, Madison, USA).Ligand stock solutions were prepared in 100% DMSO at 10 mM concentration. An assay buffer consisting of 100 mM Tris HCl pH 7.6, 40 mM MgCl, 20 mM KCl and 150 mM NaCl was prepared in dH2O. An enzyme solution containing 72.95 μM LeuRS was prepared in assay buffer to provide 20 nM final assay concentration and 50 nM reservoir concentration for a 1:2.5 dilution in the assay. A substrate solution was also prepared in assay buffer with 50 mM L-leucine, 10 mM ATP and 100 mg/mL tRNA. A final assay concentration of 500 μM L-leucine, 16.7 μM ATP and 0.5 mg/mL tRNA and reservoir concentration of 833.33 μM L-leucine, 27.83 μM ATP and 0.83 mg/mL tRNA was used for a 1:1.66 dilution in assay.Enzyme percentage inhibition values were recorded in triplicate at a single point concentration of 100 μM. If the tested compound inhibited the aminoacylation reaction above 25% in at least two replicates, an IC50 was performed with the same enzymatic assay.
12762	1	Fluorometric Assay	Method: 10 to 140 ng/ml purified LasB is incubated with 250 μM Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide in 50 mM Tris-HCl pH 7.4, 2.5 mM CaCl2), 0.01% of Triton X100 at 37° C. LasB activity (corresponding to fluorescence emission induced by substrate hydrolysis) is measured over 30 min at 37° C. with a fluorescence plate reader such as the Perkin Elmer Envision or similar. Different range of inhibitor concentrations are routinely assessed depending of inhibitor potency from 0.0016 to 200 μM (2-fold dilutions series) in order to determine IC50.
12763	1	In vitro Radioligand Binding Assay	Equilibrium dissociation constants, Kd, for many of the compounds described in the Examples section (“test compounds”) are determined in the presence cellular membrane prepared from SF9 cell lines overexpressing the human MRGX2 receptor. The assay is carried out in a 96-well plate (Greiner V-Bottom #651201). To each well is admixed fixed amounts of cell membrane preparation (75 μg/well, final concentration) and a 3H-labeled ligand, 3-(((furan-2-yl-4,5-t2)methyl)amino)-5-(o-tolyl)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (Quotient Bioresearch, 40 μM final concentration), along with a range of the (unlabeled) test compound (eight-point dose response curve, 10 μM maximum concentration, 4-fold serial dilution) in 50 mM HEPES buffer containing 10 mM MgCl2, 0.01% Triton X-100, 200 μM EDTA at pH 7.4. The assay mixtures, which comprise MRGX2 receptor, radiolabeled ligand and test compound, are incubated at room temperature (˜22° C.) for 60 minutes to reach equilibrium. After incubation, the assay mixtures are collected on a filter mat (Filtermat A, Perkin Elmer) using a cell harvester (Harvester 96, TOMTEC). The filter mat is completely dried. A solid scintillant (Meltilex, Perkin Elmer) is added to each filter membrane and the level of radioactivity (“Signal”) from each well (assay mixture) is recorded using a scintillation counter (Trilux Microbeta, PerkinElmer).
12764	1	ADP-Glo™ Kinase Assay	ADP-Glo kinase assay was performed as described by the manufacturer&#39;s protocol. Briefly, the kinase assay was performed with a 5 mixture of liver PI/ATP/purified PI3KC2α for 20 min in kinase reaction buffer described above. To deplete the remaining ATP from the reaction, 5 μl of Glo™ reagent was added to the kinase reaction mixture and incubated for 40 min. For detection, the generated ADP is re-converted into ATP and converted into light by the Ultra-Glo™ luciferase in kinase detection reagent. The luminescent signal positively correlates with kinase activity. All reactions are performed in Corning® 384 well-white plates.
12765	1	Fluorescence Polarization Assay	Assays were performed at room temperature in 384-well microtiter plates with an incubation volume of 20.2 μL. Solutions of test compounds were prepared in DMSO and serially diluted with DMSO to yield 8 μL of each of 10 solutions differing by 3-fold in concentration, at 32 serial dilutions per plate. 100% inhibition is determined using a known PDE9 inhibitor, such as 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-one (BAY 73-6691), (6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (PF-04447943). 0% of inhibition is determined by using DMSO (1% final concentrations). A Labcyte Echo 555 (Labcyte, Sunnyvale, CA) is used to dispense 200 nL from each well of the titration plate to the 384 well assay plate. Human PDE9A2 membrane preps were diluted to 1 ng/ml. FAM-labeled cGMP substrate (Molecular Devices, Sunnyvale, CA) was at a concentration of 100 nM (Km of PDE9 for cGMP is 70-170 nM) in the assay buffer (10 mM Tris HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3 0.01% Tween-20, and 1 mM DTT). PDE9 enzyme mix and compounds were mixed and incubated at room temperature for 30 min. Following which, FAMcGMP substrate was added, shaken and incubated for an additional 60 min at room temperature. The final concentration of human PDE9 membrane preparations were 0.5 ng/ml. The final concentration of FAM-cGMP was 50 nM. After the incubation period, the enzymatic reaction was stopped by addition of binding solution (IMAP-FP, Molecular Devices, comprised of 80% Solution A, 20% Solution B and a 1:600 dilution of binding reagent) to each well. The plates were shaken then incubated at room temperature for 1 h prior to determining the fluorescence polarization (mP) using a Perkin Elmer EnVision™ plate reader (Waltham, MA).
12766	1	PARP Fluorescence Anisotropy Binding Assay	Recombinant full length 6HIS tagged PARP1 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 2 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).Recombinant full length PARP2 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 2 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).Recombinant full length PARP3 protein was diluted to 100 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).Recombinant PARP5a binding domain was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).Recombinant full length GST tagged PARP6 protein was diluted to 160 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and incubated for four hours with an equivalent volume of 6 nM fluorescent probe diluted with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCI2, 150 mM NaCl. The final DMSO concentration of the probe was kept below 1% (v/v).Fluorescence anisotropy of the probe when bound to the proteins was measured using a BMG Pherastar FSX® in the presence of test compounds or solvent control and the effect on anisotropy determined. % inhibition values for different test compound concentrations were calculated and fitted to a four parameter logistic plot in order to determine the IC50 value.
12767	1	Assay of Cytochrome P450 Induction Activity	Imduction of cytochrome P450 3A4 (CYP3A4) activity in human hepatocytes (male, Caucasian) was assayed by multiple-reaction-montoring LC-MS-MS, using midazolam as CCYP3A4-specific substrate and 1′-hydroxymidazolam as CYP3A4-specific product, essentially as described [Rhodes, S., Otten, J., Hingorani, G., Hartley, D., Franklin, R. (2011) J. Pharmacol. Toxicol. Meths. 63, 223-226].
12768	1	Binding with FLT3 Secondary Mutations	Table 8: The binding of HSN286, HSN336, HSN334, HSN248 and HSN247 with several FLT3 secondary mutations (Table 8) was investigated. Interestingly, HSN356 could bind to FLT3 (D835V) with a Kd of 19 nM, whereas a similar compound, HSN334, was a poor binder of FLT3 (D835V) with a Kd of 120 nM (Table 8).
12768	2	Inhibition of FLT3 Kinase Enzymatic Activity	Table 10: IC50 values for the inhibition of FLT3 kinase enzymatic activity by midostaurin, HSN286, 334 and 356 were determined. All of the four compounds could inhibit FLT3 with low nanomolar values, although midostaurin and HSN356 were better than HSN286 and HSN334
12769	1	PRMT5 Chemiluminescent Assay	The PRMT5 activity is measured by using “PRMT5 Chemiluminescent Assay Kit” from BPS Bioscience, Catalog Number 52002L as per the instructions of the manufacturer. Briefly, the PRMT5 enzyme is incubated with S-adenosylmethionine in a 96-well plate precoated with histone H4 peptide substrate. Next, a highly specific antibody that recognizes methylated R3 residue of Histone H4 is added followed by a horseradkish peroxidase-labeled (HRP-labeled) secondary antibody. Detection is done by the addition of the HRP substrate to produce chemiluminescence that can be measured quantitatively.Compounds were serially diluted 3-fold and dosed from 10 uM down to 0 uM. Compounds were tested in duplicates to generate an eight-point dose response for the calculation of their IC50s.
12770	1	Inhibitory Activity Against CDK2/CycA2 Kinase	CDK2/CycA2 kinase solution (concentration: 0.078 ng/μL) was added to assay wells at 6 μL/well, and different compounds dissolved in DMSO were added to the assay wells separately using a nanoliter pipettor, such that the final concentrations of the compounds were 1000 nM to 0.244 nM. The wells were set in duplicate, and a control well was set. After incubation of the above system for 30 min, ATP (concentration: 50 μM or 5000 μM) was mixed with ULight-Myelin Basic Protein Peptide substrate (manufacturer: PerkinElmer, concentration: 0.25 μM) at a ratio of 1:1, and the mixture was added to the assay wells at 4 L/well. The resulting mixture was left to react at room temperature for 2 h, and then 5 L of EDTA was added to terminate the reaction, followed by addition of 5 μL of a detection antibody (manufacturer: PerkinElmer, concentration: 8 nM). The mixture was incubated at room temperature for 1 h. Assay was performed using a PerkinElmer Envision multifunctional microplate reader (excitation: 320 nm, emission: 615 nm/665 nm), and IC50 was calculated by four-parameter fitting.
12770	2	Inhibitory Activity Against CDK2 CycE1 Kinase	CDK2 CycE1 kinase solution (concentration: 0.015 ng/μL) was added to assay wells at 6 μL/well, and different compounds dissolved in DMSO were added to the assay wells separately using a nanoliter pipettor, such that the final concentrations of the compounds were 300 nM to 0.07 nM. The wells were set in duplicate, and a control well was set. After incubation of the above system for 30 min, ATP (concentration: 50 μM or 5000 μM) was mixed with ULight-Myelin Basic Protein Peptide substrate (manufacturer: PerkinElmer, concentration: 0.25 M) at a ratio of 1:1, and the mixture was added to the assay wells at 4 μL/well. The resulting mixture was left to react at room temperature for 2 h, and then 5 μL of EDTA was added to terminate the reaction, followed by addition of 5 μL of a detection antibody (manufacturer: PerkinElmer, concentration: 8 nM). The mixture was incubated at room temperature for 1 h. Assay was performed using a PerkinElmer Envision multifunctional microplate reader (excitation: 320 nm, emission: 615 nm/665 nm), and IC50 was calculated by four-parameter fitting.
12771	1	Inhibitory Activities Against HSET-HSET ADP-Glo Assay	Reagents: (+4° C. Storage)Paclitaxel Prod.No.TXD.01 2 mM in DMSO (from Universal Biologicals Cambridge).Tubulin Protein (Pre-formed Microtubules): Bovine Brain Prod.No.MT001-XL Lot.025 10 mg/mL (from Universal Biologicals Cambridge).Reagents: (−80° C. Storage)MT001-XL—Tubulin Protein (Pre-formed Microtubules): Bovine Brain—reconstituted in buffer—15 mM PIPES pH7, 1 mM MgCl2, 20 μM paclitaxel (aliquots at 10 mg/mL) from Universal Biologicals Cambridge.HSET full length protein—Current batch is FL HSET Prep1 (SEQ-000096_002-01_01)Buffer is 20 mM Hepes pH 7.5, 200 mM NaCl, 2 mM TCEP, 5% glycerol (5 μL aliquots at 10.2 μM)Reagents: (−20° C. Storage)ADP-Glo Kinase Assay kit (Promega Prod.No.V9102) 10,000 assay pointsADP-Glo reagent (50 mL), Kinase Detection Reagent (100 mL), and Ultrapure ATP (10 mM) aliquotedBuffer Stocks (filtered and stored at rt for up to 1 month)HEPES acid, 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid MW:238, 238.3 mg/mL=1 M7149 mg/30 mL=1M (pH to 6.8 with 5 M NaOH)PIPES, 1,4-Piperazinediethanesulfonic acid MW: 302.4, 30.24 mg/mL=100 mM; 907.2 mg/30 mL=100 mM (pH to 7 with 5 M NaOH, white cloudy suspension until the pH changes)EGTA, Ethylene glycol-bis(2-aminoethylether)-N,N,N′,N′-tetraacetic acid MW: 380.35, 38.035 mg/mL=100 mM1901.75 mg/50 mL=100 mM (pH to ˜7 with 5 M NaOH)—takes a long time to get into solution and for pH to stabilizeTriton-X-100, MW: 625, 62.5 mg/mL=100 mM (6.25% w/v) (viscous, pipette Triton X-100 with a Gilson using a trimmed pipette tip)ECHO ProtocolCreate an ECHO intermediate plate by adding 24.5 μL DMSO to columns 1 & 2, and 40 μL DMSO to columns 23 & 24 of an ECHO 384PP plateAdd 100 nL of compound/DMSO per well in 384-well Proxi-Plate Plus (white) —Perkin Elmer Cat #6008289 using ECHO dose response protocol 100 nL normal to Assay buffer (Keep on ice): HEPES pH 6.8, MgCl2, EGTA, Triton X-100, DTT, HPLC H2O Microtubule Working Solution (3.2):1 ml PM buffer: PIPES pH 7.0, MgCl2, HPLC H2O, Paclitaxel, mix well, store at rtThen add 26.4 μL of 10 mg/ml microtubules to 724 μL of the above PM buffer to make 750 μL of microtubule working solution @350 μg/mL microtubules (store at rt)Stock HSET enzyme solution (3.1)—keep on iceAdd 1.33 μL 10.2 μM HSET Prepi (SEQ-000096_002-01_01) to 1358 μL assay buffer to make a 10 nM stock for a 5 nM final assay concentration (1/1020 dilution).HSET/Microtubule working solution (3.3)Mix solutions 3.1 and 3.2 in the ratio of 2.5:1 (1214.3 μL 3.1+485.7 μL 3.2) keep at rt for 15 min3.2 is diluted 3.5-fold, 3.1 is diluted 1.4-fold BLANK solution is 357 μL 2XAB+143 μL microtubule working solution 3.2. (Same proportions as HSET/Microtubule working solution (3.3))ATP Working solution is 1 μL 10 mM UltraPure ATP (Promega kit)+999 μL ddH20 gives 10 μM ATP for a 3 μM final assay concentration, stored on ice.Assay procedure in PROXIPLATE 384 PLUS WHITE (Perkin Elmer) plates (Remove 2.4 mL ADP Glo and 4.5 mL Kinase detection reagent from freezer to warm up to rt)Add 3.5 μL BLANK solution to assay plate (column 12)Add 3.5 μL HSET/Microtubule solution (3.3) (columns 1-11 & 13-24)Centrifuge at 1000 rpm for 1 min(pre-incubate enzyme and compound for 10 min)Add 1.5 μL of 10 μM ATP to start reaction gives a final [HSET] of 5 nM, [ATP] of 3 μM and [microtubule] of 70 μg/mL, centrifuge at 1000 rpm for 1 min and incubated at rt for 80 min.After the 80-minute incubation, stop reaction by adding 5 μL ADP-Glo reagent to all wells. Centrifuge for 1 min at 1000 rpm, leave for 40 min at rt.In the dark/away from direct light, add 10 μL Kinase Detection Reagent (KDR) to all wells, Seal plate with a Topseal (Perkin Elmer Cat #6050185) and centrifuge as above, leave for 40 min at rt covered in foil.
12772	1	In Vitro Binding Affinity Assay Using hMC4R	The binding affinity of test compounds at the α-melanocyte-stimulating hormone receptor (hMC4R) was assessed using a radioligand competition binding assay. Recombinant Chinese hamster ovaries (CHO) cells stably expressing hMC4R (PerkinElmer #ES-191-C) were used for competitive binding. hMC4R membranes were grown in Dulbecco&#39;s Modified Essential Medium and Ham&#39;s F-12 Medium (DMEM/F12), 10% heat inactivated fetal bovine serum (FBS), 0.4 mg/mL Geneticin and 2 mM L-glutamine. Cell membranes were bulked and frozen until the assay was performed.Compounds were solubilized in 100% dimethyl sulfoxide (DMSO) to a concentration of 30 mM. A 10-point intermediate dilution series using half log dilutions was created in 100% DMSO with a top concentration of 0.03 mM. The serially diluted compounds were spotted as 1 μL/well, in 96-well Costar 3363 plates. The final compound range in the assay was 300 nM to 0.01 nM with a final DMSO concentration of 1%. Control wells, containing 1 μL of 2 mM (2 μM final) alpha-melanocyte stimulating hormone (α-MSH-Tocris #2584) was added to the non-specific binding wells and 1 μL 100% DMSO for the total binding control wells. This was followed by the addition of 80 μL of assay buffer [25 mM HEPES, 5 mM MgCl2, 2.5 mM CaCl2, 150 mM NaCl, Complete EDTA-free Protease Inhibitor Tablet (Thermo Scientific #11873580001) and 0.25% BSA]. 10 μL of [125I]-(NIe4, D-Phe7)-α-MSH (PerkinElmer #NEX3520) was added to all wells at 10-fold the final concentration of 0.5 nM. The radioligand concentration used was below the equilibrium dissociation constant (Kd) of 2.59 nM. The exact concentration of radioligand used for each experiment was determined by liquid scintillation counting and adjusted if necessary.
12773	1	CDK protein kinase inhibition by the ADP-Glo Assay	This ADP-Glo assay measures ADP formed from a kinase reaction and indirectly quantifies the phosphorylation of peptide substrates by the CDK/cyclin protein complexes. The typical assays were carried out in Nanosyn by combining kinase/cyclin complexes, substrates, compounds, and cofactors (ATP and Mg2+) in a well of a 384-well microtiter plate (Coming 3824) and incubating at 22° C. (Table 4). At the end of the incubation, the reaction is quenched, and conversion is detected by luminescence using the Promega ADP-Glo™ Kinase Assay kit (catalog #V9102). Briefly, 5 μL of 1× enzyme and substrate buffer (or control), 50 nL of 100× compound, and 0.5 μL of 10 mM ATP were sequentially added to a well of a 384-well plate. The Final assay buffer mixture contains: 100 mM HEPES, pH 7.5, 0.1% BSA, 0.01% Triton X-100, 1 mM DTT, 5 mM MgCl2, 10 μM Sodium Orthovanadate, 10 μM Beta-Glycerophosphate, 1000 μM Ultra Pure ATP (provided in the Promega ADP-Glo™ Kinase Assay kit), and 1% DMSO (from compound). Upon completion, 5 μL of the ADP Glo reagent was added to each well and the plate was further incubated at room temperature for 45 min. 10 μL of the Kinase Detection Reagent was subsequently added to each well. After 10 min of incubation, the plate was read and analyzed on the BioTek Synergy microplate reader using BioTek Gen5 software.
12774	1	BRD4 BD1 and BD2 Biochemical Binding Assays	Binding of his6-tagged BRD4_BD1 bromodomain or his6-tagged BRD4_BD2 to a biotinylated bromodomain ligand (Compound C) was monitored by time resolved fluorescence resonance energy transfer (TR-FRET). Competitive binding of small molecules that bind to the bromodomain was detected by the displacement the biotinylated tracer and consequent decrease in the measured emission intensity at 665 nm or the emission ratio (emission at 665 nm/emission at 615).
12775	1	Assays for Detecting Epoxide Hydrolase Activity	Suitable in vitro assays are described in Zeldin et al., J Biol. Chem. 268:6402-6407 (1993). Suitable in vivo assays are described in Zeldin et al., Arch Biochem Biophys 330:87-96 (1996).
12776	1	AlphaLISA	The ability of compounds to inhibit the binding of IL-17A to IL-17RA may be assessed with an AlphaLISA assay. Expression and purification of protein reagents IL17A and IL17RA for alphaLISA may be carried out essentially as follows. A construct of cytokine IL-17A (Reference sequence NP_002181) residues 1-155 with a C-terminal AVI-tag, followed by a His tag, is expressed in insect cells, together with BirA for in vivo biotinylation. Receptor IL-17RA (NP_055154) residues 1-317 with mutations N206D/N265D is expressed in insect cells with a C-terminal thrombin cleavage site followed by a FLAG-tag. IL-17A and IL-17RA are each PCR amplified and TOPO cloned into custom TOPO adapted pFastBac vectors (Thermo Fisher Scientific. Carlsbad, Calif.).
12777	1	Enzymatic Activity Assay	Briefly, compounds of the present invention were solubilized in DMSO and a series of 10, three-fold serial dilutions were made for each compound in 15% DMSO. The initial starting concentration for the serial dilutions of each compound was 1.0 μM. Control samples lacking compound, EZH2 enzyme or various reaction components also were prepared and processed in parallel with compound test samples. SAH (S-(5-adenosyl)-L-homocysteine) was used as a positive control for assay validation. An aliquot of each serial dilution of test compound was added to deep 384 well plate using Acoustic Technology instrument (Echo 550, LabCyte) containing reaction buffer (50 mM Tris-HCl (pH 8.)), 0.01% Brij35, 1 mM EDTA, 1 mM DTT, 1 mM PMSF and 1% DMSO), 10 nM purified PRC2 complex and 0.05 mg/ml core histone H3 in a 5 μl volume. The reaction was mixed gently and then pre-incubated for 20 min at 30° C. The enzymatic reaction was initiated by adding 1 uM S-Adenosyl-L-[methyl 3H]methionine and incubated for 1 hr at 30° C. After 1 hr, the reaction product was detected using a filter binding method and the amount of tritiated H3 core histone was quantitated using a scintillation counter.
8912	1	Mobility Shift Assay	The MSA (Mobility Shift Assay) method was used to detect the effects of small molecule inhibitors on the kinase activity of EGFR wild type and its mutants (EGFRwt, EGFR-L858R, EGFR-L858R-T790M-C797S, EGFR-L858R-C797S). 10 μL of kinase solution at 2.5 times the final concentration was added to the compound wells and positive control Max wells; 10 μL of 1x kinase buffer was added to the negative control Min wells. The mixture was centrifuged at 1000 rpm for 30 seconds, and the reaction plate was shaken to mix the solution well and then incubated at room temperature for 10 minutes. A mixed solution of ATP and kinase substrate at 5/3 times the final concentration was prepared in 1x kinase buffer. 15 μL of a mixed solution of ATP and substrate at 5/3 times the final concentration was added to initiate the reaction. The 384-well plate was centrifuged at 1000 rpm for 30 seconds,and shaken to mix the solution well and then incubated at room temperature for the corresponding time. 30 μL of stop detection solution was added to stop the kinase reaction, and the mixture was centrifuged at 1000 rpm for 30 seconds, and then to mixed well by shaking. The conversion rate was read using Caliper EZ Reader.
9784	1	Biochemical PIK3CA Kinase Assa	Compounds to be assayed were plated in 16 doses of 1:2 serial dilutions (20 nL volume each well) on a 1536-well plate, and the plate warmed to room temperature. PIK3CA enzyme (e.g. H1047R, E542K, E545K, or wild-type) (1 μL of 2 nM solution in Enzyme Assay Buffer (comprising 50 mM HEPES pH 7.4, 50 mM NaCl, 6 mM MgCl2, 5 mM DTT and 0.03% CHAPS)) was added and shaken for 10 seconds and preincubated for 30 minutes. To the well was added 1 μL of 200 μM ATP and 20 μM of diC8-PIP2 in Substrate Assay Buffer (50 mM HEPES pH7.4, 50 mM NaCl, 5 mM DTT and 0.03% CHAPS) to start the reaction, and the plate was shaken for 10 seconds, then spun briefly at 1500 rpm, and then incubated for 60 minutes at room temperature. The reaction was stopped by adding 2 μL of ADP-Glo reagent (Promega), and spinning briefly at 1500 rpm, and then incubating for 40 minutes. ADP-Glo Detection reagent (Promega) was added and the plate spun briefly at 1500 rpm, then incubated for 30 minutes. The plate was read on an Envision 2105 (Perkin Elmer), and the IC50 values were calculated using Genedata software.
11092	1	In Vitro Pharmacology Inhibition Assay	SERT assay (Compounds of Formula I):  Test compounds (conc range), reference compound or vehicle control were incubated for 180 min at room temperature with CHO cells stably transfected with the human serotonin transporter (5×103 cells/well) with 0.15 μM [3H] serotonin in the presence or absence of the test or reference compound in buffer containing (in mM); Tris/HCl (pH 7.4) (5), HEPES/Tris (7.5), NaCl (120), KCl (5.4), CaCl2 (1.2), MgSO4 (1.2), Glucose (5) and ascorbic acid (1). Following incubation, [3H] serotonin uptake was quantified by a standard scintillation counting method.
11092	2	PDE4-B1 & PDE4-D2 Assay	Test compounds (conc range), reference compound or vehicle control were added to assay buffer containing (in mM); Tris/HCl, pH 7.4 (40), MgCl2 (8) and EGTA/NaOH (1.7), containing 450 nM cAMP (450 nM) and 0.25 μCi (PDE-4B1) or 0.0125 μCi (PDE-4D2) [3H] cAMP. 20 mins after addition of human recombinant PDE-4B1 (1.2 IEU) or PDE-4D2 (1.5 IEU), SPA beads were added and incubated at 22° C. for a further 30 mins. [3H]5′AMP was quantified by a standard scintillation counting method.
12778	1	In Vitro Ras-Raf Binding Inhibitory Activity Assay	The in vitro Ras-Raf binding inhibitory activity of the compound of the present invention was evaluated by an ELISA method described below. GST-c-Raf-1 RBD diluted with a Ras-Raf binding buffer (50 mM Tris-HCl pH7.4, 150 mM NaCl, 5 mM MgCl2, 1 mM EDTA, and 1% Triton-X100) was added to each well of a glutathione-coated 96-well plate (Thermo Fisher Scientific.), and was incubated at 30° C. for 1 hour, to immobilize Raf on the well. The unbound free Raf was eliminated by washing the well with the Ras-Raf binding buffer three times. Subsequently, GTPTS-bound HRasG12V diluted with the Ras-Raf binding buffer and each compound solution (final DMSO concentration: 10%) were applied to each well, and the resulting mixture was then incubated at 30° C. for 1 hour, so that Ras and Raf were allowed to bind to each other. Thereafter, the plate was washed with the Ras-Raf binding buffer twice, and was then subjected to a blocking treatment at room temperature for 20 minutes, using TBS-Tween {10 mM Tris-HCl pH 7.4, 150 mM NaCl, and 0.05% (w/v) Tween-20}-5% (w/v) bovine serum albumin (BSA). After that, an anti-HRas antibody (C-20, Santa Cruz) or an anti-HRas antibody (259, Santa Cruz), which had been 1000 times diluted with TBS-Tween-5% BSA, was added to the reaction mixture, and incubated at room temperature for 1 hours. After the treatment with the primary antibody, the plate was washed with TBS-Tween-5% BSA three times, and a horseradish peroxidase-labeled secondary antibody against rabbit immunoglobulin G (GE Healthcare) of 1000 times diluted with TBS-Tween-5% BSA, was added to the plate, followed by incubation at room temperature for 1 hour. After the treatment with the secondary antibody, the plate was washed with TBS-Tween-5% BSA three times, and a substrate solution (TMB) was then added to the plate, followed by incubation at room temperature for 15 minutes for coloration. Finally, 2 M H2SO4 was added to stop color development (coloration reaction kit: Nacalai Tesque). 
12779	1	Enzyme (HIV Integrase) Inhibitory Activity Assay	The donor DNA was diluted with TE buffer to 10 nM, of which 50 μl was added to each well of streptavidin-coated microtiter plate (manufactured by Roche) and allowed to adsorb at 37° C. for 60 min. The DNA was then washed with phosphate buffer (Dulbecco PBS, Sanko Junyaku Co., Ltd.) containing 0.1% Tween 20 and phosphate buffer. Then, a reaction mixture (70 μl, see the following * for the composition), a test substance (10 μl) diluted with the reaction mixture and 100 g/ml integrase protein (10 μl) were added to each well and reacted at 37° C. for 60 min.Then, 50 nM target DNA (10 μl) was added, reacted at 37° C. for 10 min and washed with phosphate buffer containing 0.1% Tween 20 to stop the reaction.Then, 100 mU/ml peroxidase labeled anti-digoxigenin antibody solution (manufactured by Roche, 100 μl) was added, and the mixture was reacted at 37° C. for 60 min, followed by washing with phosphate buffer containing 0.1% Tween 20.A peroxidase color solution (manufactured by Bio Rad, 100 μl) was added and allowed to react at room temperature for 4 min. The color reaction was stopped by adding 1N sulfuric acid (100 μl). The absorbance at 450 nm was measured.The HIV integrase inhibitory activity (IC50) of the compound A of the present invention was calculated from the inhibition rate according to the following formula. The results are shown in Table 8.Inhibitionrate⁢(%)=[1-(Object-Blank)/(Control-Blank)]×100
12780	1	Binding Assay	Binding affinity (Ki) for the compounds was measured by inhibition of radioligand binding to membranes from CHO cells expressing human M4 receptor. Membranes were prepared by nitrogen cavitation and differential centrifugation as previously described (Hoare et al., Mol. Pharmacol. 2003 March; 63(3): 751-65). The radioligand employed was tritiated N-methylscopolamine, used at a concentration of 1.5 nM. A dose-response of twelve concentrations of compound was used, ranging from 10 μM to 32 μM. The assay buffer was 50 mM HEPES, 100 mM NaCl, 5 mM MgCl2, 1 mM ethylenediaminetetraacetic acid, pH-adjusted to pH 7.4. Membranes, radioligand and compound were incubated together for 90 minutes at 37° C., in a total volume of 150 μL in a 96-well plate. Receptor-bound radioligand was then collected by harvesting the assay over glass fiber filters pretreated with polyethylenimine to trap the cell membranes, using rapid vacuum filtration. Harvesting and radioactivity counting was conducted as previously described (see, e.g., Hoare et al., Mol. Pharmacol. 2003 63(3):751-65); Erratum at Mol. Pharmacol. 2005 July; 68(1): 260).
12781	1	Mpro Enzymatic Assay	Recombinant Mpro was obtained and Mpro enzymatic assays were performed as previously described (Tietjen et al., 2021). Briefly, 5 μL of 25 nM recombinant Mpro protein was diluted in 25 mM HEPES (pH 7.4), 150 mM NaCl, 5 mM DTT, and 0.005% Tween was dispensed into black 384-well plates. Test compounds were serially diluted into 100% DMSO, and 100 nL was added to Mpro dilutions using a Janus MDT Nanohead (PerkinElmer). Wells were then treated with 5 μL of 5 μM fluorogenic substrate ({DABCYL}-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-(EDANS)-NH2; Bachem, Vista, CA, USA) and monitored for fluorescence at 355 nm excitation and 460 nm emission every 5 minutes for up to 120 minutes using an Envision plate reader (PerkinElmer). Rate of substrate cleavage was determined using linear regression of the raw data values obtained during the time course. Slopes of these progress curves were then normalized to percent inhibition, where 100% equaled the rate in the absence of Mpro and 0% equaled rate of cleavage in the presence of Mpro and 0.1% DMSO.
12781	2	Cathepsin B Enzymatic Assay	Assays contained 0.6 nM cathepsin B (RD systems: 953-CY-010), 25 uM Z-LR-AMC, 100 nL of test compound in 100% DMSO, in at total of 10 uL of 50 mM MES, pH 5.0, 150 mM NaCl, 0.05% CHAPS, 5 mM DTT in black low volume 384-well plates. The production of AMC was followed at 5 min intervals at 355 nm excitation, 460 nm emission in an Envision microplate reader (PerkinElmer). Reaction rates were determined by linear regression of the resulting progress curves. Rates were normalized to % inhibition, where 0% is equal to the rate in the presence enzyme, and 100% is equal to the rate in the absence of enzyme. Nonlinear regression fits of the data to a one-site dose response curve were performed using XLFit (IDBS).
12781	3	Cathepsin L Enzymatic Assay	Assays contained 25 pM cathepsin L (RD systems: 952-CY-010), 5 uM LR-AMC, 100 nL of test compound in 100% DMSO, in at total of 10 uL of 20 mM KPO4, pH 6.0, 150 mM NaCl, 0.005% Tween20, 5 mM DTT in black low volume 384-well plates. The production of AMC was followed at 5 min intervals at 355 nm excitation, 460 nm emission in an Envision microplate reader (PerkinElmer). Reaction rates were determined by linear regression of the resulting progress curves. Rates were normalized to % inhibition, where 0% is equal to the rate in the presence enzyme, and 100% is equal to the rate in the absence of enzyme. Nonlinear regression fits of the data to a one-site dose response curve were performed using XLFit (IDBS).
12781	4	Thrombin Enzymatic Assay	Assays contained 25 pM thrombin (RD systems: 1473-SE-010), 25 uM BOC—PVR-AMC, 100 nL of test compound in 100% DMSO, in at total of 10 μL of 50 mM Tris, pH 7.0, 100 mM NaCl, 10 mM CaCl2, 0.005% Tween20 in black low volume 384-well plates. The production of AMC was followed at 5 min intervals at 355 nm excitation, 460 nm emission in an Envision microplate reader (PerkinElmer). Reaction rates were determined by linear regression of the resulting progress curves. Rates were normalized to % inhibition, where 0% is equal to the rate in the presence enzyme, and 100% is equal to the rate in the absence of enzyme. Nonlinear regression fits of the data to a one-site dose response curve were performed using XLFit (IDBS).
12782	1	KRAS/RAF1 Binding Inhibition Assay	Briefly, for the KRAS-G12V/RAF1 binding assay, 2 nM GppNHp-bound 6*His tagged KRAS-G12V proteins or 2 nM GDP-bound 6*His tagged KRAS-G12V proteins (final concentration) were pre-incubated with 2.5 nM GST tagged RAF1 proteins (final concentration, amino acids 54-131) in an assay buffer containing 20 mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES), pH 7.5, 150 mM NaCl, 1 mM MgCl2, 0.05% Tween-20, 0.5 mM DTT, and 0.05% BSA for 90 minutes. The test compounds in 2% DMSO (final concentration) at various concentrations were then added to the reaction mixture and incubated for 60 minutes at 4° C. 5 μg/ml GSH ALphaScreen donor beads (PerkinElmer, 6765300) and 5 μg/mL nickel chelate (Ni-NTA) ALphaScreen acceptor beads (PerkinElmer, 6760619C) (final concentrations) were then added to the mixture. After an incubation of 1 hour at 4° C. and then 30 minutes at room temperature, the fluorescent signals were obtained on the EnVision®2105 Multilabel Plate Reader (PerkinElmer).
12783	1	Inhibitory Activity Against PKMYT1 Kinase	The reaction buffer was used as a composition of 200 mM Tris-HCl pH 7.4, 100 mM MgCl2, 0.5 mg/mL BSA, 0.25 mM DTT, and the reactions of all the tests were carried out on the reaction buffer. The compound was diluted in 12 steps using a serial dilution method from a 10 mM DMSO stock, and the enzyme activity was measured at a final compound concentration of 10˜0.00005645 μM. During the test, the enzyme activity was confirmed using in vitro ADP-Glo™kinase assay (Promega) after reacting with the proper concentration of PKMYT1 enzyme, purified ATP, and enzyme substrate (CDK1) at 25° C. for 1 hour. At a ratio of 2:2:1, an enzyme-active reaction solution, an ADP-Glo reaction solution, and an enzyme-active detection solution were reacted to measure the inhibition of the enzyme&#39;s activity with luminescence. Based on the fluorescence of the enzyme activity of the solvent control that was not treated with the compound, the degree of enzyme activity inhibition was calculated according to the treatment concentration of each compound, and the concentration of each compound that inhibits 50% of enzyme activity was determined as IC50 (nM) value and the value was obtained by using GraphPad Prism 8.3.0 (GraphPad software Inc., San Diego) software. 
12784	1	Inhibitory Activity Test Against SARS-CoV-2 3CL Proteases	In this test, an assay buffer consisting of 20 mM Tris-HCl, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used. The sample to be tested is diluted in advance to an appropriate concentration with DMSO, and a 2- to 5-fold series of serial dilutions is prepared and then dispensed into a 384-well plate. To a prepared compound plate, 8 μM substrate, and a 6 or 0.6 nM enzyme solution are added, and incubation is carried out for 3 to 5 hours at room temperature. Thereafter, a reaction stopping solution (0.067 μM Internal Standard, 0.1% formic acid, and 10% or 25% acetonitrile) is added to stop the enzymatic reaction. The plate in which the reaction has been completed is measured using RapidFire System 360 and a mass analyzer (Agilent, 6550 iFunnel Q-TOF), or RapidFire System 365 and a mass analyzer (Agilent, 6495C Triple Quadrupole). Solution A (75% isopropanol, 15% acetonitrile, 5 mM ammonium formate) and solution B (0.01% trifluoroacetic acid, 0.09% formic acid) are used as a mobile phase at the measurement. The reaction product detected by the mass analyzer is calculated using RapidFire Integrator or an equivalent program capable of analysis and is taken as Product area value.
12785	1	FP Assay (In Vitro)	The inhibitory activity of test compounds on the binding between Nrf2 and Keap1 was determined by fluorescence polarization. A solution of 50 mM Tris-HCl pH. 8.0 (NACALAI, REF: 06938-15), and 5 mM DTT (SIGMA-ALDRICH, REF: 646563-10×0.5 mL) was used as a buffer solution. 8 μL of a buffer solution containing 40 nM GST-fused human Keap1 (amino acid residues: 325-642) protein (Protein tech, REF: Ag0779) was taken in a black 384-well plate (final concentration 20 nM), and 4 μL of the test compound solution prepared to each concentration in buffer solution was added thereto. A well containing a portion of the buffer solution without Keap1 was placed as a negative control. A well with no compound was used as a positive control. 40 nM of FITC-labeled Nrf2 peptide (FITC-X-LQLDEETGEFLPIQ (X=ε-Acp), Peptide Institute Inc.) was added thereto (10 nM final concentration). The wells were incubated at room temperature for 2 hr, and then fluorescence polarization was measured with a plate reader SPECTRAMAX Paradigm (Molecular devices) at excitation wavelength of 485 nm and fluorescence wavelength of 535 nm. The fluorescence polarization of the negative control was set to 100% inhibition and that of the positive control to 0% inhibition, and the inhibitory rate upon addition of the test compound was calculated using the following formula.
12786	1	Biochemical Assay	The potency of compounds to inhibit MALT-1 (Isoform1) enzyme was tested in a Fluorescent assay using recombinant MALT-1 (Isoform1, aa-840) generated in-house. The assay buffer was 50 mM HEPES (pH 7.5), 100 mM NaCl, 10 mM DTT, 1 mM EDTA, 0.9 M sodium citrate, 0.01% CHAPS. 1.5 nM of MALT-1 enzyme was incubated with various concentrations of test compounds (1 M) (1% DMSO) in the presence of buffer for 30 minutes at 30° C. The protease reaction was initiated by adding 50 μM of AC-LRSR-MAC (Peptide International, USA) substrate and incubated for 240 min. After 240 min incubation, fluorescence emission of the samples at 460 nm was measured at an excitation of 355 nm. The percent inhibition was calculated using the following formula: (Control GD−(Sample GD/Control GD))×100.
12787	1	WecA Assay	DP-Glucosamine-C6-FITC (2 mM stock solution, 0.56 μL), MgCl2 (0.5 M, 4 μL), β-mercaptoethanol (50 mM, 5 μL), CHAPS (5%, 11.25 μL), Tris buffer (pH 8.0, 50 mM), undecaprenyl phosphate (4 mM, 1.4 μL), and inhibitor molecule (0-100 μg/mL in Tris buffer) were place in a 500 μL Eppendorf tube. To a stirred reaction mixture, P-60 (10 μL) was added (total volume of reaction mixture: 50 μL adjust with Tris buffer). The reaction mixture was incubated for 4 h at 37° C. and quenched with n-butanol (150 μL). Two phases were mixed via vortex and centrifuged at 10,000 xg for 3 min. The upper organic phase was assayed via reverse-phase HPLC. The organic phase (30 μL) was injected into HPLC (solvent: gradient elution of 85:15 to 95:5 MeOH/0.05 M aq. NH4HCO3; UV: 485 nm; flow rate: 0.5 ml/min; column: Kinetex 5 μm C8, 100 Å, 150×4.60 mm), and the area of the peak for C55-P—P-glucosamine-C6-FITC was quantified to obtain the IC50 value.
12787	2	MraY Assay	Park&#39;s nucleotide-N-C6-dansyl (2 mM stock solution, 1.88 μL), MgCl2 (0.5 M, 5 μL), KCl (2 M, 5 μL), Triton X-100 (0.5%, 5.63 μL), Tris buffer (pH 8.0, 50 mM), neryl phosphate (0.1 M, 2.25 μL), and inhibitor molecule (0-100 μg/mL in Tris buffer) were placed in a 500 μL Eppendorf tube. To a stirred reaction mixture, P-60 (10 μL) was added (total volume of reaction mixture: 50 μL adjust with Tris buffer). The reaction mixture was incubated for 2 h at room temperature (26 oC) and quenched with CHCl3 (100 μL). Two phases were mixed via vortex and centrifuged at 25,000 xg for 10 min. The upper aqueous phase was assayed via reverse-phase HPLC. The water phase (10 μL) was injected into HPLC (solvent: CH3CN/0.05 M aq. NH4HCO3=25:75; UV: 350 nm; flow rate: 0.5 mL/min; column: Kinetex 5 μm C8, 100 Å, 150×4.60 mm), and the area of the peak for lipid I-neryl derivative was quantified to obtain the IC50 value.
12788	1	Steroid Inhibition of TBPS Binding	[35S]-t-Butylbicyclophosphorothionate (TBPS) binding assays using rat brain cortical membranes in the presence of 5 mM GABA. Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na—K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 mL) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 mL aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 mM GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 mM unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. 
12789	1	Inhibitory Activity of Human Recombinant SSAO/VAP-1	Test purpose: The following method is used to determine the inhibitory activity of the compounds in the examples of the present invention on human recombinant SSAO/VAP-1.Test Materials:Human recombinant SSAO/VAP-1 (VAP-1, human) was purchased from Sigma, Cat. No. SRP6241;Amplex® Red Monoamine Oxidase Assay Kit was purchased from Invitrogen, Cat. No. A12214;384-well plate was purchased from Corning, Cat. No. 6005174;Amplex® Red Hydrogen PeroxidePeroxidase Assay Kit was purchased from Invitrogen, Cat. No. A22188.Benzylamine hydrochloride was purchased from Sigma, Cat. No. B5136-25G;DMSO (Dimethyl Sulfoxide) was purchased from Sigma, Cat. No. D2650-100ML;Test Method:The test compound was dissolved in DMSO and diluted 4 times to a total of 10 concentrations. In a 384-well plate, 25 μL of human recombinant SSAO/VAP-1 (1.6 μg/mL) was added into each well. 100 nL of test compounds at different concentrations were added to each well containing human recombinant SSAO/VAP-1, and the plate was incubated at room temperature for 30 min. After incubating for 30 min, 25 μL of Amplex® Red Monoamine Oxidase Assay Kit (a reaction mixture containing 200 μM Amplex Red reagent, 1 U/mL HRP and 1 mM benzylamine hydrochloride) was added into the corresponding wells, and the plate was incubated at room temperature in the dark for 60 min. After 60 min, PerkinElmer&#39;s Envision was used to read the fluorescence value (RFU) under excitation at 530-560 nm and emission at 590 nm.
12789	2	Inhibition of DAO (Diamine Oxidase)	Test purpose: The following method is used to determine the selective inhibitory activity of the compound of the present invention on DAO.Test Materials:Human recombinant DAO (Recombinant Human ABP-1/DAO) was purchased from R&D, Cat. No. 8298-AO;Amplex® Red Hydrogen PeroxidePeroxidase Assay Kit was purchased from Invitrogen, Cat. No. A22188;1,4-Diaminobutane dihydrochloride was purchased from Aladdin, Cat. No. D106194-25G.Test Method:The test compound was dissolved in DMSO and diluted 5 times to a total of 6 concentrations. In a 384-well plate, 24 μL of human recombinant DAO (1 μg/mL) was added into each well. 1 μL of test compounds at different concentrations were added to each well containing human recombinant DAO, and the plate was incubated at 37° C. for 30 min. After incubating for 30 min, 25 μL of Amplex® Red Hydrogen Peroxide Peroxidase Assay Kit (containing 100 μM Amplex® Red and 0.2 U/ml HRP) containing 1 M 1,4-butanediamine dihydrochloride was added into the corresponding wells, and the plate was incubated in the dark at 37° C. for 30 min. After 30 min, PHERAstar FSX microplate reader of BMG LABTECH was used to read the fluorescence value (RFU) under excitation at 540 nm and emission at 580 nm.
12790	1	Enzyme Inhibition Assay	First, the plates were rehydrated with buffer (20 mM Tris-HCl with pH 7.6, 0.01% w/v BSA, 0.05% v/v Tween 20, 137 mM NaCl) and the biotinylated oligonucleotide was then immobilized. After washing off the unbound oligonucleotide, the enzyme test was performed. The reaction volume of 30 μL in buffer (35 mM Tris×HCl with pH 7.5, 4 mM MgCl2, 24 mM KCl, 2 mM DTT, 1.8 mM spermidine, 1 mM ATP, 6.5% w/v glycerol, 0.1 mg/mL albumin for DNA gyrase assays or 40 mM HEPES KOH with pH 7.6, 100 mM potassium glutamate, 10 mM magnesium acetate, 10 mM DTT, 1 mM ATP, 0.05 mg/mL albumin for topoisomerase IV assays) contained 1.5 U of DNA gyrase or topoisomerase IV from E. coli or S. aureus, 0.75 μg of relaxed pNO1 plasmid, and 3 μL solution of the inhibitor in 10% DMSO and 0.008% Tween 20. Reaction solutions were incubated at 37° C. for 30 min. After that, the TF buffer (50 mM NaOAc with pH 5.0, 50 mM NaCl and 50 mM MgCl2) was added to terminate the enzymatic reaction. After additional incubation for 30 min at rt, during which biotin-oligonucleotide-plasmid triplex was formed, the unbound plasmid was washed off using TF buffer and SybrGOLD in T10 buffer (10 mM Tris HCl with pH 8.0 and 1 mM EDTA) was added. The fluorescence was measured with a microplate reader (BioTek Synergy H4, excitation: 485 nm, emission: 535 nm). Initial screening was done at 100 or 10 nM concentration of inhibitors against E. coli DNA gyrase or 1 μM or 100 nM concentration against S. aureus DNA gyrase and E. coli and S. aureus topo IV. For the most active inhibitors IC50 was determined using seven concentrations of tested compounds.
12791	1	Isothermal Titration Calorimetry	ITC experiments were performed at 25° C. using a MicroCal PEAQ-ITC microcalorimeter (Malvern). PAH proteins were prepared in a HEPES buffer (HEPES 20 mM Hepes, 0.2M NaCl, 1 mM DTT, pH 7.0) containing 5% DMSO, in order to match the final DMSO concentration of the compounds dilutions. The protein concentration used (30 μM) was determined using ultraviolet (UV) absorbance at 280 nm. The compounds (500 mM) were prepared using the exact same buffer. Twelve injections of 3 μL of compound/ligand were titrated into the sample cell (containing the protein) over 31 min with a stirring speed of 750 rpm. Data was baseline adjusted by subtracting the background obtained from equivalent injections of compound into the buffer solution.
12792	1	Fluorescence-Based Competition Assay	A fluorescence-based competition assay was used to determine the kinetic parameters for binding of the inhibitors to paLpxC. This assay is based on the paLpxC ligand PT855, which fluoresces at 420 nm when excited at 325 nm (FIG. 10 ), and whose fluorescence is quenched upon binding to paLpxC (Georgi, 2018). Inhibitors (10 μM for enantiomerically pure compounds or 20 μM for racemic mixtures) were incubated with paLpxC (10 μM) for 18 h at 37° C. to ensure complete formation of the final enzyme-inhibitor complex, and then diluted 200-fold into a 200 nM solution of the fluorescent probe (PT855) at 37° C. The rate of dissociation of the enzyme-inhibitor (EI) complex was determined by monitoring the decrease in fluorescence as a function of time as PT855 displaced the inhibitor from the enzyme.
12793	1	DYRK1A Inhibition Assay	Assay Procedure1. Add 5 μL enzyme & substrate mixture to each well in Column 2-23 and A24-H24 wells of the 384-well assay plate;2. Add 5 μL 0% Phosphorylation control to A1-H1 and I24-P24 wells of the assay plate;3. Add 5 μL 100% Phosphorylation control to I1-P1 wells of the assay plate;4. Spin the assay plate (1000 rpm, 1 minute @23° C.);5. Incubate enzyme with compounds for 15 minutes at 23° C.;6. Add 5 μL ATP solution to each well of the assay plate;7. Spin the plate (1000 rpm, 1 minute @23° C.);8. Incubate the assay plate for 90 minutes at 23° C.;9. Add 10 μL Development reagent A to each well of the assay plate;10. Centrifuge the plate at 1000 rpm about 15 seconds and seal a film over assay plate. Incubate the assay plate for 30 minutes at 23° C.11. Read assay plates on Envision
12794	1	Enzyme Activity Assay	Enzyme activity is determined by capturing 14CO2 using an assay described by Kivirikko and Myllyla (1982, Methods Enzymol. 82:245-304). Assay reactions contain 50 mM HEPES (pH 7.4), 100 μM α-ketoglutaric acid sodium salt, 0.30 μCi/mL ketoglutaric acid α-[1-14C]-sodium salt, 40 μM FeSO4, 1 mM ascorbate, 1541.8 units/mL Catalase, with or without 50 M peptide substrate and various concentrations of compound of the invention. Reactions are initiated by addition of HIF-PH enzyme.
12795	1	ENPP1 Inhibition Assay	Materials:Assay Buffer: 1 mM CaCl2), 0.2 mM ZnCl2, 50 mM Tris, pH 9.0. Substrate: 8 mM Thymidine 5′-monophosphate p-nitrophenol ester sodium salt (Sigma Cat #T4510). Enzyme: 5 ng/L Recombinant Human ENPP-1 Protein (R&D Cat #6136-EN-010) in DMSO in 96-well clear assay plates.Methods:An eight point serial dilution of drugs was prepared in 10× in assay buffer with the final assay concentrations starting at 10 μM, 3 μM, 1 μM, 0.3 μM and 0 μM. A dilution of DMSO was included as a control. The assay plate was set up as follows with each well in duplicate: 81 μL assay buffer+10 μL ENPP1 inhibitor or DMSO+5 μL Substrate+4 μL Enzyme. Both the enzyme and substrate was added to opposite sides of the well to ensure that there was no interaction until all wells had both components. The plate was then centrifuged gently for 10 seconds, followed by an incubation at 37° C. for 45 minutes. The reaction was quantified by measuring absorbance at 405 nm using an Envision plate reader.
12796	1	Evaluation of ENPP1 Inhibitory Activity Assay	Experimental Method:1. Preparation of 1× reaction solution: 50 mM Tris-HCl (pH 7.5), 10 mM NaCl, 0.5 mM CaCl2, 1 μM ZnCl2, 0.01% Tween-20, 0.01% BSA.2. Preparation of compound concentration gradient: the tested compound was dissolved in DMSO (dimethyl sulfoxide) to an initial concentration of 10 μM, diluted at 3 times, with 10 concentrations, single well or multi-well testing was set. The initial concentration in the positive control compound STF-32 test was 1 μM, diluted at 3 times, with 10 concentrations, and multi-well testing was set for each concentration. The compound was diluted by gradient in a 384 well plate to a solution with the final concentration of 1000 times, and then 5 nL of the solution was transferred to a 384 well reaction plate for testing using Echo550.5 nL of 100% DMSO was transferred from the smallest well and the largest well.3. 20 nM of 2× protein solution was prepared using 1× reaction solution.4. 40 μM of 2× substrate solution was prepared using 1× reaction solution.5. 2.5 μL of 2× protein solution was added to each compound well and the maximum pore of the reaction plate, and 2.5 μL of 1× reaction solution was added to the smallest well.6. The reaction solution was centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 15 minutes.7. 2.5 μL 2× substrate solution was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute, and incubated at room temperature for 60 minutes.8. 5 μL of R1 solution (from AMP-Glo™ Kit) was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 120 minutes.9. 10 μL of R2 solution (from AMP-Glo™ Kit) was added to each well of the reaction plate, centrifuged at 1000 rpm for 1 minute and incubated at room temperature for 30 minutes.10. A multifunctional enzyme-linked immunosorbent assay reader (2104EnVision) was used to detect and the test results were recorded.
12797	1	Evaluation of HSD17B2 Activity Assay	Table 2: The fluorescence based detection assay monitors the conversion of the co-factor NAD+ to NADH, which occurs coincident with the conversion of estradiol to estrone by HSD17B2. These assays were performed in 384 well plates (Greiner V-shape PP-microplate). The 20 μl reaction volume contained: 0.7 μM estradiol (E2); 6 mM NAD+ (Sigma); 250 nM HSD17B2 enzyme (Origene; Cat #TP303293); 0.25 M potassium phosphate buffer pH 7.4, 0.75% vehicle (DMSO). Reactions were incubated for 2 hours at 37° C., and the reaction was stopped by freezing the reaction plates at −80° C. Zero time samples were frozen immediately.The conversion of NAD+ to NADH was quantitated using NAD-Glo kits (Promega; Cat #G9062) according to the manufacturers&#39; instructions. A volume of 15 μL of enzyme reaction mixture was added to 15 μL of reconstituted Glo reagent, and the plates were incubated for 30 minutes at room temperature. Luminescence was quantitated on a Tecan Spark Reader®. A standard curve of NADH (0.1-50 μL) in potassium phosphate buffer pH 7.4/1% DMSO was run on each plate.Activity of the enzyme in the absence of E2 was used to evaluate specificity of conversion. Enzyme activity in the presence of test samples was expressed as a percentage of the uninhibited enzyme in the presence of 1% DMSO vehicle only, and was plotted versus inhibitor concentration. Non-linear regression was performed using a four-parameter logistic model and GraphPad Prism software.
12797	2	Evaluation of HSD17f313 Activity Assay	Table 3: The liquid chromatography/mass spectrometry (LC/MS) estrone detection assay monitors the conversion of estradiol to estrone by HSD17B13. This assay was undertaken in a 96 wp format (Eppendorf deep well Plate 96/500) in an 80 μl reaction volume containing: 4 μM of Estradiol (E2; Cayman; Ser. No. 10/006,315), 6 mM NAD+(Sigma; #N0623) and 30 nM HSD17B13 enzyme (in-house; E. coli expressed His-tagged, purified, soluble protein) in a reaction containing 1M potassium phosphate buffer pH 7.4, with 0.5% vehicle (DMSO). Reactions were incubated for 2 hours at 26.5° C., and estradiol (E2) conversion to estrone (E1) was quantitated by LC-MS/MS based analyte detection for both E2 and E1 using LCMS grade reagents.Reactions were terminated by the addition of two volumes of acetonitrile (MeCN; LCMS grade; CAS #75/05/8) containing deuterated (D4)-E1 used as internal standard (Clear Synth; #CS-T-54273; 500 ng/mL final concentration). Samples were applied to pre-prepared Bond Elut-C18 extraction cartridges (3 mL; Agilent; Ser. No. 12/102,028), washed and eluted in MeCN. Eluates were dried under nitrogen and re-suspended in 60% methanol (LCMS grade methanol; CAS #67/56/1) before submission for analysis. Aqueous linearity for E2 and E1 were included for quantification.
12798	1	IC50 Test of Compound YJZ5118 on CDK12, CDK13, and CDK9 Kinases	The inhibitory activities of the test compound on the kinases were evaluated by LANCE Ultra assay, which was used for detecting ATP-dependent phosphorylation of a ULight-4E-BP1 (Thr37/Thr46) substrate peptide (150 nM). In short, enzymatic reactions were performed in a reaction buffer (25 mM HEPES (pH 7.5), 10 mM MgCl2, 0.01% BSA, 0.01% Tween 20, and 1 mM DTT). The assay was performed in a 384-well plate (6 μL). A final concentration of an ATP substrate was 10 M, and a final concentration of the ULight-4E-BP1 (Thr37/Thr46) substrate peptide was 150 nM. A final concentration of CDK9, CDK12, or CDK13 was 0.3, 30, or 30 nM, respectively. Pre-incubation of the compound and the enzyme was performed at room temperature for 60 min. The reaction was stopped by adding 10 mM EDTA and 0.15 nM Eu-labeled anti-phospho-eIF4E-binding protein 1 (Thr37/46) antibody in LANCE detection buffer after incubation at room temperature for 15, 60, or 90 min. Time-resolved fluorescence (excitation, 320 nm; emission donor, 615 nm; emission acceptor, 665 nm) was monitored using an EnVision spectrophotometer (PerkinElmer). Readings were computed as (acceptor count/donor count)×1000. IC50 values were derived by fitting a sigmoidal dose-response curve to a plot of assay readouts of inhibitor concentrations. 
12799	1	Inhibition of DPP1 Enzyme Activity Assay	Experimental Methods1) Preparation and handling of compounds: Accurately weigh the compound and dissolve it in 10 mL of DMSO to prepare a 10-mL of the bulk, which is further diluted as required.2) Screening test: Dilute recombinant human cathepsin rhCathepsin C/DPP1 and recombinant human cathepsin rhCathepsin L with an activating buffer solution, and incubate at 37° C. for 60 min. Add 4 μL of test compound to the white well of the 384-well plate. Add 4 μL of the enzyme mixture after incubation to the white wells. Block the 384-well plate and allow to stand at room temperature for 30 min, and add 8 μL of 2-fold diluted Gly-Arg-AMC (hydrochloride). Block the 384-well plate and allow to stand at room temperature for 2 h. Prepare 4× stop solution and add 4 μL stop solution to white wells. Read fluorescence data on the fluorescence meter Victor Nivo35.3) Data analysis:All IC50 values are converted to percent inhibition using Prism Graphpad 8.0.
12800	1	Radioligand Binding Assay	In all radioligand binding experiments, the samples were incubated in a final volume of 0.1 ml of binding buffer for 60 minutes at 25° C. and then filtered over Unifilter plates (Perkin Elmer) pre-treated for 2 hours to limit tracer non-specific binding. Filters were washed five times with 0.5 ml of ice-cold washing buffer (50 mM Tris-HCl pH 7.4, 5 mM MgCl, 1 mM EDTA), and 50 μL of Microscint 20 (Perkin Elmer) were added to each filter. The plates were incubated 15 min at room temperature on an orbital shaker and then counted with a TopCount™ for 1 min/well.For A1 receptor, the assay was performed with [3H]-DPCPX and membranes from CHO-Kl cells transfected with human A1 receptor (Euroscreen FAST-001B).For A2A receptor, the assay was performed with [3H-NECA and membranes from HEK293 cells transfected with human A2A receptor (Euroscreen FAST-002B).For A2B receptor, the assay was carried with [3H]-DPCPX and membranes prepared from HEK293 cells transfected with human A2B receptor (Euroscreen FAST-003B).For A3 receptor, the assay was carried out with [125IJ-MECA and membranes from CHO-Kl cells transfected with human A3 receptor (Euroscreen FAST-004B).
12801	1	cGAMP-Glo Assay	1. Diluted compounds in DMSO by hand for 11 points, 3 folds dilution. Then transferred 0.02 μL compounds to 384 assay plate by ECHO.2. Added 2 μL specified concentration of ENPP1 to 384 assay plate, centrifuged 1000 RPM for 1 min.3. Added 2 μL specified concentration of 2′3′-cGAMP to the assay plate, centrifuged 1000 RPM for 1 min.4. Incubated at 25° C. for 60 min.5. Added 4 μL AMP-Glo Reagent to the assay plates.6. Centrifuged 1000 RPM for 1 min, incubated at 25° C. for 1 hours.7. Added 8 μL Kinase Detection Reagent to the assay plates.8. Centrifuged 1000 RPM for 1 min, incubate at 25° C. for 1 hours. The final assay reaction mixture contained a buffer of 50 mM Tris pH 8.8, 250 mM NaCl and 0.1% BSA9. Read on Envision for US LUM as RLU.10. Analyzed the raw data using the equation (V. Data analysis).
12801	2	ATP-Glo Assay	1. Diluted compounds in DMSO by hand for 11 points, 3 folds dilution. Then transferred 0.02 μL compounds to 384 assay plate by ECHO.2. Added 2 μL specified concentration of ENPP1 to 384 assay plate. Centrifuged 1000 RPM for 1 min.3. Added 2 μL specified concentration of ATP to the assay plate. Centrifuged 1000 RPM for 1 min.4. Incubated at 25° C. for 60 min.5. Added 4 μL AMP-Glo Reagent to the assay plates.6. Centrifuged 1000 RPM for 1 min, incubate at 25° C. for 1 hours.7. Added 8 μL Kinase Detection Reagent to the assay plates.8. Centrifuged 1000 RPM for 1 min, incubated at 25° C. for 1 hours. The final assay reaction mixture contained a buffer of 50 mM Tris pH 8.8, 250 mM NaCl and 0.1% BSA9. Read on Envision for US LUM as RLU.10. Analyzed the raw data using the equation (V. Data analysis).
12802	1	JAK2 LanthaScreen JH2-V617F Binding Assay	Table A, Column 1: JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mutant JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79498). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 JH2-V617F (0.26 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
12802	2	JAK2 LanthaScreen JH2-WT Binding Assay	Table A, Column 2: JAK2 JH2-WT binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human Wild Type JAK2 expressed as C-terminal His-Avi-tagged, biotinylated protein in a baculovirus expression system (BPS Bioscience, Catalog #79463). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 JH2-WT (0.145 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH2 Tracer (MedChem Express Catalog #HY-102055) and 0.25 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 1 hour at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
12802	3	JAK2 LanthaScreen JH1 Binding Assay	Table A, Column 3: JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein in a baculovirus expression system (Carna Biosciences, Product #08-445-20N). The assay was conducted in black 384-well polystyrene plates in a final reaction volume of 20 μL. JAK2 JH1 (1.5 nM) was incubated with compounds (100 nL serially diluted in DMSO) in the presence of 50 nM Fluorescent JAK2-JH1 Tracer and 0.5 nM Streptavidin-Tb cryptate (Cisbio Part #610SATLB) in assay buffer (50 mM Tris, pH=7.5, 10 mM MgCl2, 0.01% Brij-35, 0.1% BSA, 1 mM EGTA, 5% Glycerol and 5 mM DTT). Non-specific binding was accessed in the presence of 2 mM ATP. After incubation for 2 hours at 25° C., LanthaScreen signals were read on a PHERAstar FS plate reader (BMG LABTECH). Data was analyzed with IDBS XLfit and GraphPad Prism 5.0 software using a four parameter dose response curve to determine IC50 for each compound.
12803	1	In Vitro IC50 Assay	TBD
12804	1	ATXN3 Total Protein Assay	ATXN3 protein levels were assessed by Mesoscale Discovery (MSD) assay developed with one pair of anti-ATXN3 antibodies. The capture and detect antibodies were raised in mouse and rabbit respectively. Anti-rabbit MSD-ST antibody was used for secondary antibody.ATXN3 recombinant protein was used for standards. The readouts were captured with 35 μL of MSD read buffer and multi-array 384-well high binding plates.One plate replica was carried out for parallel viability testing by CellTiter Glo® 2.0 with a seeding density of 4,000 cells/well. Compounds were incubated for 48 hours.
12805	1	ATR Kinase Activity Assay	The amount of phosphorylated P53 protein was determined using a time-resolved fluorescence system. Before the starting of the experiment, the following working solutions were prepared as needed: 1× reaction buffer (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35), dilution buffer (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35, 5 mM DTT and 1% BSA), stop buffer (20 mM HEPES PH8.0, 1% glycerol, 0.01% Brij-35, 250 mM EDTA), detection buffer (50 mM HEPES PH7.0, 150 mM NaCl, 267 mM KF, 0.1% sodium cholate, 0.01% Tween-20, 0.0125% sodium azide). The clinically investigational drug AZD6738 (purchased from Selleck) was used as a positive control.The specific steps of the assay are as follows:4× gradient dilution compound solutions were prepared with the 1× reaction buffer to obtain 9 different compound concentrations, and 2.5 μL of the 4× gradient dilution compound solutions are added to a 384-well assay plate (784075, Greiner). 4× p53 substrate working solution (40 nM) was prepared with the 1× reaction buffer and 2.5 μL of the 4× p53 substrate working solution was added to the 384-well assay plate. 4×ATR/ATRIP working solution (12.8 ng/μL) was prepared with the dilution buffer and 2.5 μL of the 4×ATR/ATRIP working solution was added to the 384-well assay plate. 4×ATP working solution (2 mM) was prepared with deionized water, and 2.5 μL of the 4×ATP working solution was added to the 384-well assay plate. The plate was incubated at room temperature for 30 minutes in the dark. 5 μL of the stop solution was added to the 384 assay plate. Finally, 5 μL of the detection mixture (0.09 ng/μL of Anti-phospho-p53(ser15)-K and 6 ng/μL of Anti-GST-d2) to the 384-well assay plate. After incubation at room temperature overnight, the fluorescence signals were detected using an M5e (Molecular Device) instrument (excitation wavelength of 320 nm, emission wavelengths of 620 nm and 665 nm).
12805	2	Inhibition on the Kinases (ATM, DNA-PK)	Following the experimental methods reported in the reference documents, the test compounds were diluted in a 3-fold series to 0.51 nM (a total of 10 concentrations) starting from 10 μM, and their inhibitory activity against the kinases ATM1 and DNA-PK2 were measured respectively.
12806	1	Kinase Inhibitory Activity Assay	Kinase Reaction Process(1) 1×Kinase buffer was prepared.(2) Preparation of concentration gradient of compound: The tested compound has a test concentration starting from 1 μM, diluted 10 times, with 10 concentrations, and subjected to single-well or multi-well detection. The compound was diluted to a 100% DMSO solution with a final concentration of 100 times in a 384 source plate. 250 μL of the compound at a final concentration of 100 times was transferred to the target plate 384-well-plate using the pipette Echo 550.(3) A kinase solution with a final concentration of 2.5 times was prepared using 1× Kinase buffer.(4) 10 μL of the kinase solution with the final concentration of 2.5 times was added to a compound well and a positive control well, respectively; 10 μL of 1×Kinase buffer was added to a negative control well.(5) Centrifugation was conducted at 1000 rpm for 30 seconds, and the reaction plate was shaken and mixed well, and incubated at a room temperature for 10 minutes.(6) A mixed solution of ATP with a final concentration of 5/3 times and Kinase substrate 22 was prepared using 1×Kinase buffer.(7) A mixed solution of 15 μL of ATP with a final concentration of 5/3 times and a substrate was added for initial reaction.(8) The 384-well-plate was centrifuged at 1000 rpm for 30 seconds, shaken and mixed well, and incubated at a room temperature for 60 minutes.(9) 30 μL of a termination detection solution was added to stop the kinase reaction. Centrifugation was conducted at 1000 rpm for 30 seconds. Shaking and mixing well were conducted.(10) The conversion rate was read using Caliper EZ Reader.
12807	1	Measurement of Half Maximal Inhibitory Concentration (IC50)	In brief: precultures of P. aeruginosa PAO1 (5 mL) were grown in LB media for 13 hours at 37° C. and 220 rpm in 50 mL conical tubes (VWR International, PA). The cells were centrifuged for 5 min at 4,000 rpm and 4° C., washed two times and then diluted in buffer (100 mM KH2PO4 and 15 mM (NH4)2SO4 to an optical density at 600 nm (OD600) of 0.1. A small volume of compound stock solution (10 mM) was transferred to a microcentrifuge tube, initially diluted with DMSO to 20 μL, and then diluted to 1 mL with preculture cell suspension in defined media with OD600=0.0001, so the final DMSO concentration is 2%. The resultant cell suspension (200 μL) was transferred to a clear-bottom polystyrene 96-well plate (VWR International, PA) covered with a lid and incubated at 35° C. and 205 cpm for 24 h in a Synergy H1 microplate reader (Biotek Instruments Inc., Winooski, VT).
12808	1	High Throughput Syk Biochemical Assay	Syk activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, Syk-catalyzes the phosporylation of a XL665-labeled peptide substrate. Europium conjugated phospho-tyrosine specific antibody binds the resulting phosphorylated peptide. Formation of phosphorylated peptide is quantified by TR-FRET with Europium as the donor and XL665 the acceptor in a 2-step endpoint assay. In brief, test compounds serially diluted in DMSO were delivered into Corning white, low volume, non-binding 384 well plates using the Echo 550 acoustic liquid dispenser (Labcyte®). Syk enzyme and substrates were dispensed into assay plates using a Multi-Flo (Bio-Tek Instruments). The standard 5 μL reaction mixture contained 20 μM ATP, 1 μM biotinylated peptide, 0.015 nM of Syk in reaction buffer (50 mM Hepes, pH 7.0, 0.02% NaN3, 0.1% BSA, 0.1 mM Orthovanadate, 5 mM MgCl2, 1 mM DTT, 0.025% NP-40). After 30 minutes of incubation at room temperature, 5 μL of Stop and Detect Solution (1:200 Europium Cryptate labeled anti-phosphorylated peptide antibody solution and 125 nM strepavidin-XL665 Tracer in a 50 mM Hepes pH 7.0 detection buffer containing sufficient EDTA) was added. The plate was then further incubated for 120 minutes at room temperature and read using an Envision 2103 Multilabeled reader (PerkinElmer) with excitation/emission/FRET emission at 340 nm/615 nm/665 nm, respectively. 
12809	1	Binding Affinity Using Radioligand Binding	148 μL, (5 μg/mL) membranes (Perkin Elmer, Cat. No. RBHA2aM4001A) and 2 μL compounds of the invention to be tested (test compound) were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 minutes at room temperature. [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) was diluted in assay buffer (50 mM Tris pH 7.4, 10 mM MgCl2, 0.005% Tween20) to a concentration of 4 nM and 50 μL transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 1 μZM241385 (Tocris Bioscience, Cat No. 1036) respectively, were also included. The assay plate was incubated at room temperature for 60 minutes with agitation. Using a FilterMate Harvester® (Perkin Elmer), the contents of the assay plate were filtered through a UniFilter-96® PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 seconds, then washing and aspirating the contents three times with ice-cooled wash buffer (50 mM Tris-HCl pH 7.4, 150 mM NaCl) and allowing the vacuum manifold to dry the plate for 30 seconds. The filter plate was incubated for at least 1 hour at 55° C. and allowed to dry. The bottom of the filter plate was sealed with backing tape. 40 μL. Ultima Gold™ (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS® clear plate seal (Perkin Elmer, Cat. No. 6050185). The plate was incubated for at least 20 minutes, and then the amount of radioactivity remaining in each well was determined using a TopCown® (Perkin Elmer) scintillation counter.
12810	1	ATR/ATRIP Enzymatic Assay	Detection of ATR kinase activity utilized the AlphaScreen system to measure the phosphorylation of the substrate protein p53. Recombinant purified ATR/ATRIP (Eurofins cat #14-953) at a final concentration of 0.63 nM in assay buffer (50 mM Hepes pH 7.4, 0.1 mM vanadate, 0.5 mM DTT, 0.1 mM EGTA, 5 mM MnCl2, 0.01% Brij-30, 1% glycerol, 0.05% BSA) was mixed with compound serially diluted in 10% DMSO. The final DMSO concentration was 1.25%. A pre-mix of GST-tagged p53 (full length, Enzo Life Sciences cat # BML-FW9370) and adenosine 5′-triphosphate, ATP (Sigma-Aldrich cat #10519979001, Roche Diagnostic) in assay buffer was added to the enzyme:compound mix for a final concentration of 25 nM GST-p53 and 3 μM ATP. The reaction was allowed to proceed at room temperature for 1 hour then stopped by the addition of a pre-mix of phospho-p53 (Ser 15) antibody (New England Biolabs cat #9284S) at 1:3000 final dilution, 14.3 pg/mL glutathione donor beads (PerkinElmer Life Sciences cat #6765301) and 14.3 pg/mL protein A acceptor beads (PerkinElmer Life Sciences cat #670137) final bead concentration in buffer (60 mM EDTA in 50 mM Tris, pH 7.4 and 0.1% BSA). Plates were incubated at room temperature in the dark for 4 hours and read on a BMG Polarstar using AlphaScreen dedicated filters. 
12811	1	Human STING WT Binding Assay	Cisbio Bioassays&#39; human STING WT binding assay (#64BDSTGPEG & 64BDSTGPEH, Cisbio) is for quantitative measurement of human STING WT ligand using HTRF® technology.1. Adding CompoundsNegative control: Dispense 5 μL of diluent into each negative control well. Standard: Dispense 5 μL of each Human STING WT Standard 2′3′-cGAMP (Std 0—Std 7) into each standard well. Compound: Dispense 5 μL of compound into each compound well.2. Adding ProteinsNegative control: Add 5 μL of detection buffer to all wells. Other wells: Add 5 μL of human STING WT protein 6His-tagged protein to all wells.3. Adding AntibodiesAdd 10 μL of premixed STING WT ligand d2 reagent and 6His Tb antibody working solution to all wells.4. RT IncubationSeal the plate and incubate 3 hours at RT or at Over Night if necessary.5. Reading PlateRemove the plate sealer and read on an HTRF® compatible reader (PerkinElmer, USA). Results were analyzed with a two-wavelength signal ratio: intensity (665 nm)/intensity (620 nm).6. Curve FittingCalculate HTRF Ratio:Ratio=Signal⁢665⁢nmSignal⁢620⁢nm×104Fit the data in GraphPad to obtain IC50 values using equation (2)Y=Bottom+(Top-Bottom)/(1+10{circumflex over ( )}((LogIC50—X)*Hill Slope))  Equation (2):Y is HTRF Ratio and X is compound concentration.
12812	1	Testing the Affinity of DB Compounds to PSMA Protein Using Biacore	Table 5: The affinity of DB compounds to PSMA protein was tested using the Biacore 8K (Cytiva) instrument to detect ligand binding to PSMA protein (Sino Biological). PSMA protein was captured on an SA chip. Before fixing the ligand ( flow paths 1 and 2, flow rate of 10 μL/min), PSMA protein (10 μg/mL, flow rate of 5 μL/min, injection time of 600 s) was fixed on flow path 2 using a flow buffer. The sensor surface was adjusted by continuously injecting 1 M NaCl three times in 50 mM NaOH. After each ligand injection, additional cleaning was performed using isopropanol in 1 M NaCl and 50 mM NaOH (flow paths 1 and 2, flow rate of 10 μL/min, injection time of 60 s).[0170]All compounds were dissolved in 100% DMSO and diluted to 10 mM, then further diluted to the appropriate highest concentration in the analysis buffer (PBS, PH 7.4, 1 mM TCEP (tris-(2-hydroxyethyl) phosphine), 0.05% P20, 2% DMSO). The analysis was conducted under the following conditions: 15° C. analysis temperature; analysis steps=all set to LMW kinetics; cycle type=single cycle (90 s contact time, 1800 s dissociation time, 30 μL/min flow rate, flow paths 1 and 2); detection in flow=path 2-1. Data evaluation was performed using Biacore Insight Evaluation Software, fitting the data to a 1:1 binding model.
12813	1	Kinase Inhibition Assay	Briefly, the assay employed utilizes a fluorescent tracer to a given kinase. This is used to detect the addition of an anti-tag antibody. When the tracer and antibody bind to the targeted kinase, the Forster resonance energy transfer is measured. When a kinase inhibitor is added to the assay, the tracer/kinase binding will be disrupted, producing low FRET detection and indicating kinase inhibitory activity. Evaluation of kinase activity of additional kinase targets utilized the LanthaScreen binding assay or the Z′-Lyte activity assay provided by Thermo Fisher SelectScreen service. The IC50 values were determined using sequential doses, and the inhibition curves were provided by Thermo Fisher Scientific.
12814	1	Radioligand Competition Binding Assay	Table 1: In the first step, a cell membrane component containing specific dopamine D2 receptors was prepared. A 10 cm culture dish was used for transfection with 10 ng of dopamine D2 receptors and 40 μL of polyethylenimine (PEI hereafter). After 48 hours, the 10 cm culture dish was taken out from the cell incubator and the cultured cells had expressed the dopamine D2 receptors. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each culture dish, and the cells were placed in a 4° C. cold room for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally aliquoted into several EP tubes, centrifuged at 12000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The precipitate was the cell membrane component containing the dopamine D2 receptors.In the second step, a ligand-receptor binding assay was performed on 293T membrane component transiently expressing the dopamine D2 receptors. First, a standard binding buffer was added to the cell membrane component containing the dopamine D2 receptors, and the cell membrane was disrupted and resuspended with an electric tissue homogenizer. 30 μL of membrane protein suspension was added to each well of a 96-well plate. Then, 30 μL of different drugs were added to the 96-well plate sequentially from bottom to top to ensure that the final drug concentrations were 10−5 M, 10−6 M, 10−7 M, 10−8 M, 10−9 M, and 0 M, with two replicates per treatment. Next, 30 μL of [3H]-Methylspiperone was added to each well of the 96-well plate. The plate was incubated at room temperature in the dark for 2 hours. Detection was conducted. The machine readout value reflected the amount of [3H]-Methylspiperone bound on the membrane, and after further data processing, the affinity Ki values of different compounds for the dopamine D2 receptors were obtained.
12814	2	Radioligand Competition Binding Assay	Table 3: In the first step, a cell membrane component containing specific 5-HT1A receptors was prepared. A 10 cm culture dish with HEK-293T cells was used for transfection with 10 μg of 5-HT1A receptors and 40 μL of PEI. After 48 hours, the 10 cm culture dish was taken out from the incubator and the cultured cells had expressed the 5-HT1A receptors. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each culture dish, and the cells were placed in a 4° C. cold room for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally aliquoted into several EP tubes, centrifuged at 12000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The precipitate was the cell membrane component containing the 5-HT1A receptors.In the second step, a ligand-receptor binding assay was performed on 293T membrane component transiently expressing the 5-HT1A receptors. First, a standard binding buffer was added to the cell membrane component containing the 5-HT1A receptors, and the cell membrane was disrupted and resuspended with an electric tissue homogenizer. 30 μL of membrane protein suspension was added to each well of a 96-well plate. Then, 30 μL of different drugs were added to the 96-well plate sequentially from bottom to top to ensure that the final drug concentrations were 10−5 M, 10−6 M, 10−7 M, 10−8 M, 10−9 M, and 0 M, with two replicates per treatment. Next, 30 μL of [3H]-LSD was added to each well of the 96-well plate. The plate was incubated at room temperature in the dark for 2 hours. Detection was conducted. The machine readout value reflected the amount of [3H]-LSD bound on the membrane, and after further data processing, the binding affinity Ki values of different compounds for the 5-HT1A receptors were obtained.
12814	3	Radioligand Competition Binding Assay	Table 5: The affinity of the compounds of the present disclosure for 5-HT2A receptors was determined by a radioligand competition binding assay. In the first step, a cell membrane component containing specific 5-HT2A receptor was prepared. A 10 cm dish was used for transfection with 10 ng of 5-HT2A receptors and 40 μL of PEI. After 48 hours, the 10 cm dish was taken out from the cell incubator and the cultured cells had expressed the 5-HT2A receptors. A vacuum pump was used to suck off the culture medium, 3 mL of lysis buffer was added to each culture dish, and the cells were placed in a 4° C. cold room for 10 minutes. After the cells were detached, the cells were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added and fully ground until the cells were broken. Then, cell suspension was equally aliquoted into several EP tubes, centrifuged at 12000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The precipitate was the cell membrane component containing the 5-HT2A receptors. In the second step, a ligand-receptor binding assay was performed on 293T membrane component transiently expressing the 5-HT2A receptors. First, a standard binding buffer was added to the cell membrane component containing the 5-HT2A receptors, and the cell membrane was disrupted and resuspended with an electric tissue homogenizer. 30 μL of membrane protein suspension was added to each well of a 96-well plate. Then, 30 μL of different drugs were added to the 96-well plate sequentially from bottom to top to ensure that the final drug concentrations were 10−5 M, 10−6 M, 10−7 M, 10−8 M, 10−9 M, and 0 M, with two replicates per treatment. Next, 30 μL of [3H]-ketanserin was added to each well of the 96-well plate. The plate was incubated at room temperature in the dark for 2 hours. Detection was conducted. The machine readout value reflected the amount of [3H]-ketanserin bound on the membrane, and after further data processing, the affinity Ki values of different compounds for the 5-HT2A receptors were obtained.
12816	1	Biological Assay	To identify optimal conditions for identifying novel inhibitors of CNDP2, enzyme assays were performed with varied sources of purified enzyme, concentrations of enzyme, peptide substrates, concentrations of peptide substrates and metal cofactors. Empirically-determined optimal conditions included 50 nM purified CNDP2 (Sino Biological) in Assay Buffer that contained 100 mM Tris pH 7.4, 100 mM NaCl, 100 microM MnCl2, 1 mM DTT, 1% DMSO and Met-His peptide substrate added at 1 mM (near the enzyme Km for this substrate). The reaction mixture was incubated for 30 minutes at 37° C. before it was quenched with an equal volume of 1% TCA. Free histidine was quantified after derivatization with a fluorophore (o-phthaldialdehyde from Sigma-Aldrich, excitation 340 nm, emission 460 nm). The reaction was conducted in an automation-friendly format to meet future screening throughput demands. A histidine titration standard curve was also included to enable conversion of fluorescence signal to molar concentration of histidine released by the hydrolysis reaction and to ensure the linearity of the fluorescence signal vs. free histidine.
12817	1	Crbn Fluorescence Polarization Assay	In this competitive fluorescent polarization assay Cy5 conjugated lenalidomide analog (Cy5—O-Len)1 was used as a fluorescent probe. 6XHis-CRBN-DDB1 protein (200 nM) and Cy5—O-Len probe (30 nM) were combined in 20 mM HEPES pH 7, 150 mM NaCl, 0.005% Tween-20 assay buffer. 20 μL of this assay cocktail was dispensed into wells of Corning 3821 black 384-well plates. Compounds were transferred to the assay plate from a dose-response plate using a Pintool on a Biomek FXP Laboratory Automation Workstation (Beckman Coulter). The plates were incubated in the dark for 1 hour at room temperature and then read on an Envision plate reader (PerkinElmer, Massachusetts, USA). IC50 values were determined using a proprietary software RISE (Robust Investigation of Screening Experiments), developed in house on the Pipeline Pilot platform (Biovia, v. 17.2.0). Data represent the mean of three independent determinations.
12818	1	HPK1 Inhibition Assay	A stock solution of 10 mM test compound was prepared in DMSO. The compound was prepared by 5-fold and 10-point serial dilutions with HPK1 kinase assay buffer. The HPK1 kinase assay buffer contained 40 mM Tris, pH 7.5; 20 mM MgCl2, 0.1 mg/ml BSA, and 50 μM DTT. 7.5 ng/μl of Active HPK1 (Promega, V4098) and 0.1 μg/ml MBP substrate protein were added to the reaction system. The final concentration of ATP in the HPK1 kinase reaction system was 10 μM. Serial diluted compounds were transferred to the reaction system and incubated at room temperature for 1 hr. 5 μL of ADP-Glo™ Reagent (Promega, V9101) was added and incubated for 40 min to stop the kinase reaction and deplete the unconsumed ATP. After that, 10 ul of kinase detection reagent was added and incubated at room temperature for 30-60 min. The luminescence was measured with a plate-reading luminometer.
12819	1	AlphaLISA Inhibition Screening Assay	The Kat6a inhibitory activity of test compounds was determined using an Alpha Screen-based detection method. The assay reactions were conducted in a volume of 10 μL in Alpha Plate, White 384 well plate (cat #6008280, Perkin Elmer). The enzymatic reactions were performed in assay buffer pH 8.0 (50 mM Tris-HCl, 0.1 mM EDTA, 0.01% Tween-20, 1 mM Dithiothreitol, 0.1% BSA (fatty acid free) and 330 nM TSA (Trichostatin A)). 10 μL reaction volume consisting of 25 nM of Recombinant KAT6A/MOZ (488-778) protein (Active motif, Catalog #81223), 400 nM Acetyl coenzyme A (Catalog #A2056, Sigma), 200 nM of Histone H3 peptide [(amino acids 1-21), biotin-labeled (BPS Biosciences, Catalog #52011)]. Test compounds were screened at different doses starting with 10 μM, 3 fold dilution and 10 point Dose response curve. Enzyme and compounds solution were pre-incubated in assay plate for 60 or 10 min at room temperature then substrate and Acetyl coenzyme A solution were added to the plate. After addition, the plate was sealed with adhesive seals and incubated for 120 minutes at room temperature.After 120 minutes of incubation, 5 L (10 g/mL) of AlphaLISA anti-acetyl-Lysine acceptor beads (Perkin Elmer, Catalog #AL143C) were added to the plate and it was incubated for 60 minutes at room temperature. Then 10 L (10 g/mL) of Alpha Streptavidin donor beads (Perkin Elmer, Catalog #6760002S) were added to the plate which was further incubated for 60 minutes at room temperature. After incubation, the alpha signal was recorded by using Perkin Elmer Envision multi-mode reader.
12820	1	KAT6A  Assay Protocol	1. Final reaction conditions are 2.5 nM KAT6A Full length enzyme, 25 μM AcCoA,2 μM H3 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT6A enzyme mix to the assay plate4. Add 10 μL of H3 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 20 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW 2723 [Substrate+H]+ and 2765 [Product±H]+ with a ±1 Da tolerance, respectively
12820	2	KAT7 BRPF1 Assay Protocol	1. Final reaction conditions are 2 nM KAT7+BRPF1+EAF6+ING54-protein complex, 1 μM AcCoA, 2 μM H3 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT7 enzyme mix to the assay plate4. Add 10 μL of H3 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 30 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW 2723 [Substrate+H]+ and 2765 [Product+H]+ with a ±1 Da tolerance, respectively
12820	3	KAT7 BRPF2 Assay Protocol	1. Final reaction conditions are 2 nM KAT7+BRPF2+EAF6+ING5 4-protein complex, 1 μM AcCoA, 2 μM H3 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT7 enzyme mix to the assay plate4. Add 10 μL of H3 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 30 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW 2723 [Substrate+H]+ and 2765 [Product+H]+ with a ±1 Da tolerance, respectively
12820	4	KAT7 JADE1 Assay Protocol	1. Final reaction conditions are 4 nM KAT7+JADE1+EAF6+ING5 4-protein complex, 1 μM AcCoA, 2 μM H3 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT7 enzyme mix to the assay plate4. Add 10 μL of H3 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 30 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW 2723 [Substrate+H]+ and 2765 [Product+H]+ with a ±1 Da tolerance, respectively
12820	5	KAT8 Assay Protocol	1. Final reaction conditions are 30 nM KAT8 Full length enzyme, 1 μM AcCoA, 2 μM H3 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT8 enzyme mix to the assay plate4. Add 10 μL of H3 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 60 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW2723 [Substrate+H]+ and 2765 [Product+H]+ with a ±1 Da tolerance, respectively
12820	6	KAT5 Assay Protocol	1. Final reaction conditions are 12.5 nM KAT5 Full length enzyme, 1 μM AcCoA, 2 μM H4 1-21 peptide, in a 20 μL reaction volume.2. Add 200 nL of diluted compound to the assay plate (384-well microtiter V-bottom polypropylene plates [Greiner Inc]) or 200 nL of DMSO or 200 nL reference inhibitor for the control wells3. Add 10 μL of KAT5 enzyme mix to the assay plate4. Add 10 μL of H4 1-21 peptide and AcCoA mix to the assay plate5. Terminate the reaction after 60 mins with the addition of 2 μL of 5% Formic Acid6. Neutralize the terminated acidified reaction for 30 mins with 2.0 μL of 10% Sodium Bicarbonate (1% final) [Sigma Inc]7. Transfer 2.6 μL of the neutralized reaction to a 384-well SAMDI plate [SAMDI Tech] surface containing the proprietary Biotin-NeutrAvidin monolayer (Mrksich M. Mass spectrometry of self-assembled monolayers: a new tool for molecular surface science. ACS Nano. 2008 January;2(1):7-18. doi: 10.1021/nn7004156. PMID: 19206542; PMCID: PMC2600870 and Michael D. Scholle, Patrick T. O&#39;Kane, Sandra Dib, Zachary A. Gurard-Levin, Label-free duplex SAMDI-MS screen reveals novel SARS-CoV-2 3CLpro inhibitors, Antiviral Research, Volume 200, 2022, 105279, ISSN 0166-3542.)8. Immobilize the reactions on the SAMDI plate surface in a humidified chamber for 45 mins at rt9. Wash the SAMDI plate surface 5 times using purified Milli-Q H2O and allow to dry completely with pressurized air using air blades10. Apply α-Cyano-4-hydroxycinnamic acid [Sigma Inc] matrix using SAMDI proprietary method11. Measure enzyme activity using a MALDI TOF/TOF System [AB Sciex] and determine the area under the curve for the substrate and product peaks at MW 2561 [Substrate+H]+ and 2603 [Product+H]+ with a ±1 Da tolerance, respectively
12821	1	Inhibitory Activity on EGFR Kinase	The compound of the present invention had a good inhibitory activity on an EGFR kinase, and the IC50 values were all less than 10 μM. The specific experiment was as follows:1. Preparation of 1× concentration kinase buffer1 volume of 5 times concentration of an enzyme buffer diluted with 4 volumes of distilled water; 5 mM magnesium chloride; 1 mM DTT; and 1 mM MnCl2.2. Test method of activity of compounda) a compound diluent was transferred to each well of an assay plate (784075, Greiner) using Echo 550;b) the assay plate was sealed and centrifuged at 1,000 g for 1 min;c) 2×EGFR (D770-N771 ins NPG T790M) was prepared in a 1× kinase buffer;d) 5 μl of the 2×EGFR (D770-N771 ins NPG T790M) was added to a 384-well assay plate (784075, Greiner);e) the assay plate was centrifuged at 1,000 g for 30 s and incubated at room temperature for 10 min;f) 2× TK-substrate-biotin (2 μM) and ATP were added to the 1× kinase buffer and mixed;g) the reaction was started after adding 5 μl of the TK-substrate-biotin (2 μM) and ATP mixture;h) the assay plate was centrifuged at 1,000 g for 30 s; and the assay plate was sealed and incubated at room temperature for 40 min;i) 4× Sa-XL 665 was prepared in an HTRF detection buffer;j) 5 μl of the Sa-XL 665 and 5 μl of a TK-antibody-cryptate were added to each well of the assay plate;k) the assay plate was centrifuged at 1,000 g for 30 s and incubated at room temperature for 1 h; andl) fluorescence signals at 615 nm (cryptate) and 665 nm (XL665) were read on an Envision 2104 reader.3. Data analysis3.1 Calculation of ratio (665/615 nm) of each well3.2 Calculation of inhibition rateInhibition⁢rate=100-(signal⁢mpd-Signal⁢Ave_PC)/(Signal⁢Ave_VC-Signal⁢Ave_PC)×100.3.3 Calculation of IC50 value of compound and drawing dose-effect curve of compoundIC50 values were calculated using GraphPad 6.0 by applying a non-linear regression curve (dose-effect relationship-variable slope) of the logarithm of the compound concentration versus the inhibition rate.
12822	1	POLQ Enzyme Activity Inhibition Assay	Brief introduction to the experimental principle: The N-terminal active peptide segment (MI-N899) of POLQ with ATPase activity was co-incubated with compounds, and then reacted with substrate dT50 under the action of ATP to generate ADP, which participated in the subsequent NADH oxidative coupling enzymatic reaction and catalysed the NADH reaction to generate NAD+. The Envision microplate reader from Perkin Elmer Inc was used to measure the reduction of OD value of NADH at 340 nm, thus reflecting the enzyme activity.Experimental instruments: Echo 650 pipetting system from Labcyte Inc, Envision microplate reader from Perkin Elmer Inc; 5810R centrifuge from Eppendorf Inc, and BSD-YX3400 thermostatic shaker from Boxun Inc.Experimental MaterialsReagent BrandPOLQ (N) Synthesized by Pharmaron IncATP SigmadT50 Synthesized by Genscript IncNADH RochePEP SigmaLactate dehydrogenase SigmaPyruvate kinase Sigma384-well plate Greiner Bio-OneExperimental method: The POLQ enzyme was diluted to 100 nM with a reaction buffer (20 mM Tris HCl (pH 7.80), 80 mM KCl, 10 mM MgCl2, 1 mM DTT, 0.01% w/v bovine serum albumin, 0.01% v/v Tween-20, and 5% v/v glycerol). The compounds to be tested were diluted to different concentrations in dimethyl sulfoxide (DMSO) using the Echo 650 pipetting system, and transferred to a 384-well plate, 20 μL/well of 100 nM POLQ was added, and the mixture was incubated at room temperature for 15 minutes. A reaction mixture solution was formulated, and the concentration of each component in the reaction mixture solution was: 100 μM ATP, 300 nM dT50, 300 μM NADH, 6 mM PEP, 10 U/mL lactate dehydrogenase and 20 U/mL pyruvate kinase. 20 μL/well of reaction mixture solution was added to start the enzyme reaction. The final concentration of the compounds in the reaction system started from 10 μM, and was subjected to 3-fold gradient dilution. The concentration range was from 10 μM to 0.0005 μM, and the final concentration of DMSO in the system was 0.2% v/v. The 384-well plate was reacted at room temperature for 20 minutes, and then the OD value at 340 nm was read with an Envision microplate reader.
12823	1	Fluorescence Polarisation (FP) Homogeneous Assay	Measurement of USP7 inhibitory activity. USP7 activity was monitored in a fluorescence polarisation (FP) homogeneous assay using the isopeptide ubiquitin-Lys-TAMRA substrate (U-558, Boston Biochem). Full-length USP7 was purchased from Boston Biochem (His6-USP7FL, E-519). Unless otherwise stated, all other reagents were purchased from Sigma-Aldrich. Enzymatic reactions were conducted in black flat-bottom low volume polystyrene 384-well plates (Grenier) and 15 μL total volume. USP7 (2.5 nM, 5 μL) was incubated in assay buffer (50 mM HEPES (pH 7.2), 150 mM NaCl, 5 mM DTT, 0.05% BSA (w/v), 0.05% CHAPS) in the presence or absence of inhibitor (5 μL). Inhibitors were stored as 10 mM DMSO stocks in an inert environment (low humidity, dark, low oxygen, room temperature) using a Storage Pod System and serial dilutions were prepared in buffer just prior to the assay (from 200 to 0.003 μM, 11 dp curve). Following incubation at room temperature for 30 min, the enzymatic reactions were initiated by dispensing the Ub substrate (50 nM, 5 μL). FP was measured every 5 min over a period of 1.5 h (within the linear range of the assay) using a Pherastar FSX (BMG Labtech) exciting at 530 nm and measuring the amount of parallel and perpendicular light at 575 nm. The FP signal was subsequently normalised to the control without compound present. Data were plotted and fitted, and the concentrations resulting in 50% inhibition (IC50) were calculated using the non-linear regression curve fitting model using GraphPad Prism. IC50 values for the inhibitors of the invention are compiled in Table 3 above and represent the average of at least duplicate experiments.
12824	1	LanthaScreen® Eu Kinase Binding Assay	In vitro binding of the compounds to the ATP pocket of CDK8 in complex with Cyclin C was carried out by LanthaScreen® Eu Kinase Binding Assay based on the binding and displacement of a proprietary, Alexa Fluor® 647-labeled, ATP-competitive kinase inhibitor scaffold (kinase tracer) to the kinase of interest. The binding of the tracer to the kinase is detected using a europium-labeled anti-tag antibody, which binds to the kinase of interest. Simultaneous binding of both the tracer and antibody to the kinase results in a high degree of FRET (fluorescence resonance energy transfer) from the europium (Eu) donor fluorophore to the Alexa Fluor® 647 acceptor fluorophore on the kinase tracer. The binding of an inhibitor to the kinase competes for binding with the tracer, resulting in a loss of FRET.
12825	1	TR-FRET Assay	The following binding partners have been used in this assay. Biotinylated KRAS G12D protein corresponding to KRAS (amino acids 1-169, with the following changes to the natural protein: G12D) was expressed in E. coli with a carboxy-terminal Avi tag (amino acid sequence GGGLNDIFEAQKIEWHE). GST-tagged SOS1 protein corresponding to SOS1 (amino acids 564-1049) with an amino-terminal GST-tag and a Tobacco-etch-virus (TEV) protease cleavage site was expressed in E. coli and purified by affinity chromatography on a GSH-column, followed by desalting (HiPrep 26/10 Desalting, GE Healthcare) into 20 mM TRIS, 200 mM NaCl, 10% Glycerol, 1 mM DTT, pH 8.0. The tag was not cleaved.Compounds are dispensed onto assay plates (Proxiplate 384 PLUS, white, PerkinElmer) using an Access Labcyte Workstation with the Labcyte Echo 55× from a DMSO solution. For the chosen highest assay concentration of 500 μM or 100 μM (this can be changed upon request), 150 nl of compound solution are transferred from a 50 mM or 10 mM DMSO compound stock solution. Compounds are tested in duplicates. A series of 11 concentrations is transferred for each compound at which each concentration is fivefold lower than the previous one. DMSO is added such that every well has a total of 150 nl compound solution. The assay runs on a fully automated robotic system. For the assay 15 μl containing KRAS G12D protein (15 nM final assay concentration), SOS1 (10 nM final assay concentration), GTP (10 μM final assay concentration), Lance Eu-W1024 labeled Streptavidin (1.5 nM final assay concentration) and Anti-GST surelight APC (30 nM final assay concentration) mixed in assay buffer (1×PBS; 0.05% Tween20; 0.1% BSA; filtered) are added to the 150 nl of compounds. Plates are kept at room temperature. After 60 minutes incubation time the TR-FRET signal is measured in a PerkinElmer Envision HTS Multilabel Reader using the TR-FRET LANCE Ultra specs of PerkinElmer.
12825	2	Alpha Screen Assay	Measurement of various protein-protein interactions was performed using the Alpha Screen technology developed by Perkin Elmer. Recombinant RAS proteins (H-, N-, K-RAS variants) carried a c-terminal Avi-tag used for biotinylation. Interacting proteins (SOS1, PI3K and CRAF) were expressed as glutathione S transferase (GST) fusions. Accordingly, the Alpha Screen beads were glutathione coated Alpha Lisa acceptor beads (Perkin Elmer AL 109 R) and Alpha Screen Streptavidin conjugated donor beads (Perkin Elmer 6760002L). Nucleotides were purchased from Sigma (GTP #G8877, GDP #G7127), Tween-20 from Bio-Rad (#161-0781). All interaction assays were carried out in PBS, containing 0.1% bovine serum albumin, 0.05% Tween-20 and 10 μM of the corresponding nucleotide. Assays were carried out in white ProxiPlate-384 Plus plates (Perkin Elmer #6008280) in a final volume of 20 μl. In brief, biotinylated RAS proteins (10 nM final concentration) and GST-SOS1, GST-PI3K or GST-CRAF (10 nM final) were mixed with glutathione acceptor beads (5 μg/ml final concentration) in buffer, containing the corresponding nucleotides (GDP or GTP for assays containing SOS1, only GTP for interaction assays containing PI3K or CRAF) and were incubated for 30 min at room temperature. After addition of strepavidin donor beads (5 μg/ml final concentration) under green light, the mixture was further incubated for 60 min in the dark at room temperature.
12826	1	Test of Inhibitory Activity Assay	(1) Preparing 1×Reaction Buffer according to the BPS Biosciences&#39; Instructions for Use of the SHP2 enzyme. (2) Preparing a compound concentration gradient: Test the test compound at 10 μM under 3× dilution for 10 concentrations, diluting to a 100% dimethyl sulfoxide solution at a 100× final concentration in a 384-well plate, and diluting the compound with Precision 4× for 10 concentrations. Transferring 250 nL of the compound at the 100× final concentration to a target plate OptiPlate-384F using a dispenser Echo 550. Adding 250 nL of dimethyl sulfoxide to a positive control and 250 nL of 1 mM SHP099 to a negative control. (3) Preparing the activation peptide solution at a 5× final concentration with the 1×Reaction Buffer, adding 5 μL of the solution to a reaction plate, respectively, and centrifuging at 1000 rpm for 1 min. (4) Preparing an enzyme solution at a 2.5× final concentration with the 1×Reaction Buffer, adding 10 μL of the solution to the reaction plate, respectively, centrifuging at 1000 rpm for 1 min, and incubating at room temperature for 60 min. (5) Preparing a substrate peptide solution at a 2.5× final concentration with the 1×Reaction Buffer, centrifuging at 1000 rpm for 1 min, and incubating at room temperature for 30 min. (6) Adding 30 μL of stop test solution to stop the reaction, centrifuging at 1000 rpm for 60 see, and mixing well by shaking. (7) Reading the conversion rate with a Caliper EZ Reader. (7) Data analysis:%⁢⁢Inhibition=Conversion⁢⁢%⁢_max-Conversion⁢⁢%⁢_sampleConversion⁢⁢%⁢_max-Conversion⁢⁢%⁢_min×100Wherein: Conversion %/_sample is the reading of a conversion rate of a sample; Conversion %_min: mean of negative control wells, which represents the reading of a conversion rate in absence of enzyme activity wells; Conversion %_max: mean of a ratio of positive control wells, which represents the reading of a conversion rate in absence of compound inhibition wells.
12827	1	Inhibition of Kinase Activity Assay	TBD
12828	1	In Vitro JAK Kinase Assay	JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Biochemistry 1999, 269, 94-104. The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag are expressed using baculovirus in insect cells and purified. The catalytic activity of JAK1, JAK2 or JAK3 are assayed by measuring the phosphorylation of a biotinylated peptide. The phosphorylated peptide was detected by homogenous time resolved fluorescence (HTRF). IC50s of compounds are measured for each kinase in the 40 microL reactions that contain the enzyme, ATP and 500 nM peptide in 50 mM Tris (pH 7.8) buffer with 100 mM NaCl, 5 mM DTT, and 0.1 mg/mL (0.01%) BSA. For the 1 mM IC50 measurements, ATP concentration in the reactions is 1 mM. Reactions are carried out at room temperature for 1 hour and then stopped with 20 μL 45 mM EDTA, 300 nM SA-APC, 6 nM Eu-Py20 in assay buffer (Perkin Elmer, Boston, MA). Binding to the Europium labeled antibody takes place for 40 minutes and HTRF signal was measured on a Fusion plate reader (Perkin Elmer, Boston, MA).
12829	1	Inhibition of SDC1 and SCD5	Samples were then analyzed by LC/MS/MS using a Thermo Scientific Q Exactive Orbitrap coupled to a Dionex UltiMate® 3000 ultra-high performance liquid chromatography system, following the method described in Tafesse et al. PLoS Pathog. 11(10): el 005188, 2015.
12830	1	RSV-A Assay 	HEp-2 cells are seeded into the inner 60 wells of a 96-well plate at 8,000 cells per well in a volume of 50 μL using Growth Media (DMEM without phenol red, 1% L-Glut, 1% Penn/Strep, 1% nonessential amino acids, 10% heat-inactivated FBS). 2-fold serial dilutions of control and test compounds are added to the wells in duplicate in a total volume of 25 μL. Viral stock is then added to the wells at a multiplicity of infection (MOI) of 0.1 in a volume of 25 μL, bringing the total volume of each well to 100 μL. The MOI is calculated using the PFU/mL, or TCID50 if unavailable. Each 96-well plate has a control column of 6 wells with cells and virus but no compound (negative control, max CPE), a column with cells but no compound or virus (positive control, minimum CPE), and a column with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 25 μL of growth media containing an equal quantity of sucrose as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer wells of the plate are filled with 125 μL of moat media (DMEM, 1% Penn/Strep) to act as a thermal and evaporative moat around the test wells. Following a 5-day incubation period, the plates are read using ATPlite (50 μL added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates are read using the Envision luminometer. In parallel, cytotoxicity is examined on an additional 96-well plate treated in an identical manner, but substituting the 25 μL of viral stock for 25 μL of growth media. 
12830	2	RSV-B Assay	A549 cells (originally derived through explant culture from a 58 year old male&#39;s carcinomatous lung tissue) are seeded into the inner 60 wells of a 96-well plate at 3,000 cells per well in a volume of 50 μL using A549 growth media (F-12K Media, 1% Penn/Strep, 1% nonessential amino acids, 10% heat-inactivated FBS). 2-fold serial dilutions of control and test compounds are added to the wells in duplicate in a total volume of 25 μL. Viral stock is then added to the wells at a multiplicity of infection (MOI) of 0.5 in a volume of 25 μL, bringing the total volume of each well to 100 μL. The MOI is calculated using the PFU/mL, or TCID50 if unavailable. Each 96-well plate has a control column of 6 wells with cells and virus but no compound (negative control, max CPE), a column with cells but no compound or virus (positive control, minimum CPE), and a column with no cells or virus or compound (background plate/reagent control). The control wells with cells but no virus are given an additional 25 μL of growth media containing an equal quantity of sucrose as those wells receiving the viral stock in order to keep consistent in media and volume conditions. The outer wells of the plate are filled with 125 μL of moat media (DMEM, 1% Penn/Strep) to act as a thermal and evaporative moat around the test wells. 6 days post infection, the plates are read using qPCR or ATP lite (50 μL added per well), which quantifies the amount of ATP (a measure of cell health) present in each well. Assay plates treated with APTlite are read using the Envision luminometer.
12831	1	gene editing assay	To investigate the effect of DNA-PK inhibitors on HDR gene editing rates, BECs were electroporated with spCAS9 mRNA, NAV1.7 sgRNA and NAV1.7 Non-PAM ssODN and then incubated with different concentrations Compound 1 or left untreated (Control). Gene editing rates were determined by using TIDE assay 72 hs after electroporation. Gene editing rates were expressed in percentages and classified as HDR and NHEJ. Cell survival rates are shown in percentages where control cells were set as 100%.
12832	1	Gal 3 HTRF Assay	The Gal-3 assays were performed in 384 white Opti plates in three replicates at room temperature with gentle shaking at 250-300 rpm From the original stocks, 2.525× working stock concentrations of His-tagged recombinant human Gal-3 (hGal-3) and that of B-ASF were prepared. From the working stock, 20 μL of hGal-3 (15 nM) and 20 μL B-ASF (15 nM) were added to the plates. In Negative Control, only hGal-3 was added. A concentration range of 50× working stocks were prepared for the compounds in 100% DMSO. Aliquots of 1 μL of the compounds were added to the wells and pre-incubated with 20 μL hGal-3 per well for 30 minutes Then 20 μL B-ASF were added and incubated for another 1 hour. To detect the signal, 5 μL (final conc. of 1.0 nM) terbium labelled Anti-His antibody was added and incubated for 30 min followed by adding 5 μL (final conc. of 20 nM) Streptavidin d2 and incubation for another 1 hour. The assay signal was detected using HTRF screen protocol (Excitation wavelength=340 nm, emission wavelength=615 nm/665 nm) on Envision 2104 Multilabel Reader. Data analysed using Toolset and Curve Master.
12832	2	Gal-3 ELISA Assay	The IC50 values of the program compounds were as presented in the report (attached in excel format from Curve master compilation). The Plate control TD-139 had an IC50 value of 10.3 nM and 108.12 nM for human and mouse Galectin-3 respectively. The same was plotted on the semi-log graph.Pharmaceutical Composition and Methods of Use 
12833	1	Biological Evaluation	All of the exemplary Formula I compounds in Tables 1 and 2 were tested for binding to ERa (Estrogen Receptor alpha) and biological activity according to the assays, protocols, and procedures of Examples 901-907.
12834	1	Inhibitory Assay	Determination of the Ki values for inhibitors was performed by creation of both type 1 and type 2 Dixon plots. The format included 100 μL/10 mM in DMSO. For comparison, a non-inhibitory compound was also examined. 
12835	1	Evaluation of NLRP3 Inflammasome Inhibitory Activity	The NLRP3 inflammasome inhibitory activity of test compounds were evaluated on the basis of the inhibitory activity of the IL-1β production in THP1-Null cells (Product Number: thp-null, InvivoGen). Cells were maintained for culture in RPMI-1640 media containing 10% (v/v) fetal bovine serum, 25 mmol/L HEPES, 100 U/mL penicillin, 100 μg/mL streptomycin, 100 μg/mL normocin, and 200 μg/mL hygromycin B (set at 37° C., 5% CO2/95% air).
12836	1	TBD	TBD
12837	1	Activity of Exemplary Compounds in an In Vitro Model of Vanishing Cell White Matter Disease (VWMD)	In order to test exemplary compounds of the invention in a cellular context, a stable VWMD cell line was first constructed. The ATF4 reporter was prepared by fusing the human full-length ATF4 5′-UTR (NCBI Accession No. BC022088.2) in front of the firefly luciferase (FLuc) coding sequence lacking the initiator methionine as described in Sidrauski et al (eLife 2013). The construct was used to produce recombinant retroviruses using standard methods and the resulting viral supernatant was used to transduce HEK293T cells, which were then subsequently selected with puromycin to generate a stable cell line.
12838	1	TBD	TBD
12839	1	TBD	TBD
12840	1	Radioactive flux assay	A competitive NaV1.7 inhibitor having a methyl group is tritiated. Three tritiums are incorporated in place of methyl hydrogens to generate [3H]compound. Binding of this radioligand is performed in 5 mL borosilicate glass test tubes at room temperature. Binding is initiated by adding membranes to increasing concentrations of [3H]compound in 100 mM NaCl, 20 mM Tris HCl, pH 7.4 buffer containing 0.01% w/v bovine serum albumin (BSA) for 18 h. Non-specific binding is determined in the presence of 1 μM unlabeled compound. After 18 h, the reactants are filtered through GF/C glass fiber filters presoaked in 0.5% w/v polyethylene imine. Filters are washed with 15 mL ice cold 100 mM NaCl, 20 mM Tris HCl, pH7.4 buffer containing 0.25% BSA to separate bound from free ligand. [3H]compound bound to filters is quantified by liquid scintillation counting.
12840	2	Electrophysiological Assay	Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (NaV&#39;s), and allows the determination of the time- and voltage-dependence of block which has been interpreted as differential binding to the resting, open, and inactivated states of the sodium channel (Hille, B., Journal of General Physiology (1977), 69: 497-515).
12841	1	BCL-2 TR-FRET Assay	BPS Bioscience, #50222: 3 ng of BCL-2, 5 μL of 1:100 anti-His Tb-labeled donor, 5 μL of 1:100 Dye-labeled acceptor, 5 L of 1:40 BCL-2 Peptide Ligand, and 2 μL of 200× test compound, with 60 min incubation time (final concentration of DMSO 0.5%). The results of the assay were read using a plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 usec Delay; and 500 usec integration.
12841	2	BCL-xL TR-FRET Assay	BPS Bioscience, #50223: 10.5 ng of BCL-xL, 5 μL of 1:120 anti-His Tb-labeled donor, 5 μL of 1:120 Dye-labeled acceptor, 5 μL of 1:96 BCL-xL Peptide Ligand, 2 μL of 200× test compound, with 60 min incubation time (final concentration of DMSO 0.5%). The results of the assay were read using a plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 usec Delay; and 500 usec integration.
12841	3	BCL-2 [G101V]TR-FRET Assay	0.22 ng/μl of BCL-2 (SinoBiological, #10195-H08E1), 5 μL of 1:100 anti-His Tb-labeled donor, 5 μL of 1:100 Dye-labeled acceptor, 5 μL of 1:40 BCL-2 Peptide Ligand (BPS Bioscience, #50223), and 2 μL of 200× test compound, with 60 min incubation time (final concentration of DMSO 0.5%). The results of the assay were read using a plate reader with the following parameters: TR FRET, 340ex/620 and 665em; 60 usec Delay; and 500 usec integration.
12842	1	Electrophysiological Assay	A capillary glass pipette (BF150-86-10, Sutter Instruments) was pulled into a recording electrode with a micropipette puller (P97, Sutter Instruments). The micromanipulator (MP285, Sutter Instruments) was manipulated under an inverted microscope (IX71, Olympus) to make the recording electrode contact the cell and negative pressure suction was applied to achieve a GQ seal. Then, rapid capacitance compensation was performed, and negative pressure was continued, cell membrane was broken by suction, and whole cell recording mode was formed. Then the slow capacitance was compensated and the membrane capacitance and series resistance were recorded without leakage compensation. When the whole cell recording current was stabilized, dosing was initiated, and the next concentration was detected after acting 5 minutes of each drug concentration. Multiple cells were independently repeated during the recording period. All electrophysiological assays were performed at room temperature. Specifically, 6 concentrations (measuring IC50) or 2 concentrations (preliminary screening) were set for each compound, and the percentage of inhibition of sodium channels was determined by calculating the relative percentage of peak current generated before and after each concentration compound treated cells, and the IC50 value or percentage of inhibition at a specific concentration was calculated using IGOR pro software.
12842	2	Electrophysiological Assay	Clamped the cell at −80 mV and then depolarized to 10 mV with a square wave lasting 10 ms to get the Nav1.8 current (see FIG. 1 attached). This procedure was repeated every 5 seconds. The maximum current triggered by the square wave was detected, and when it stabilized, the test compounds were perfused, and when the reaction stabilized, the strength of the block was calculated.
12843	1	GR Binding Assay	Binding of test compounds to the glucocorticoid receptor (GR) is determined using a fluorescence polarisation (FP) assay utilising a recombinant ligand binding domain (LBD) of GR. The test compounds are assessed by their ability to displace a fluorescently tagged ligand and detection of the resulting decrease in fluorescence polarisation. Fluorescence polarisation values are converted to % inhibition using the high (1% DMSO only) and low (1 μM) controls and IC50 values are calculated from non-linear regression curves fitted using Dotmatics software.
12844	1	MMP Inhibitory Assays	The inhibitory effect of compounds on the rate of cleaving fluorogenic MMP substrate (Enzo, BML-P128) by recombinant human MMP-12 catalytic domain (Enzo, BML-SE138) was carried out by methods known in the art. Briefly, to each well of a 96-well black opaque plate, all the reagents were sequentially added by pipetting, and the final reaction contained 4 nM of recombinant human MMP-12 catalytic domain, 4 M of fluorogenic MMP substrate, and various concentrations (0.15 nM to 10,000 nM) of tested compound dilutions in HEPES buffer (pH 7.5) containing 10 mM of CaCl2, 0.01% Brij 35 (polyoxyethylene (23) lauryl ether), and 0.1 mg/ml of BSA. The enzyme and compounds were pre-incubated on a shaker to mix in wells. After an hour of mixing, fluorogenic substrate was added to each well. Reaction without enzyme was used as a blank control in the plate. The plate was then fed into a plate reader to measure fluorescence intensity at Excitation/Emission wavelengths of 340 nm/440 nm every 10 mins for at least 1 hour at 37° C. The IC50 of each compound in MMP-12 inhibition was determined by using a readout obtained at time point 30 minutes. 
12845	1	THP-1 Cells Pyroptosis Assay	1. Seed THP-1 cells (25,000 cells/well) containing 1.0 μg/ml LPS in 40μ of RPMI medium (without FBS) in 96-well, black walled, clear bottom cell culture plates coated with poly-D-lysine (VWR #734-0317)2. Add 5 μl compound (8 points half-log dilution, with 10M top dose) or vehicle (DMSO 0.1% FAC) to the appropriate wells3. Incubate for 3 hrs at 37° C. and 5% CO24. Add 5 μl nigericin (Sigma #N7143) (FAC 5 μM) to all wells5. Incubate for 1 hr at 37° C. and 5% CO26. At the end of the incubation period, spin plates at 300×g for 3 mins and remove supernatant7. Then add 50 μl of resazurin (Sigma #R7017) (FAC 100 μM resazurin in RPMI medium without FBS) and incubate plates for a further 1-2 hrs at 37° C. and 5% CO28. Plates were read in an Envision reader at Ex 560 nm and Em 590 nm9. IC50 data is fitted to a non-linear regression equation (log inhibitor vs response-variable slope 4-parameters)
12846	1	Assay of Inhibition of Mycobacterium tuberculosis RNA Polymerase	Fluorescence-detected RNA polymerase assays with M. tuberculosis RNA polymerase were performed as in Example 17.1, using reaction mixtures containing (20 μl): 0-100 nM test salt, 75 nM M. tuberculosis RNA polymerase core enzyme, 300 nM M. tuberculosis σ A, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 μM ATP, 100 μM GTP, 100 μM UTP, 100 μM CTP, 40 mM Tris-HCl, pH 8.0, 80 mM NaCl, 5 mM MgCl2, 2.5 mM DTT, and 12.7% glycerol. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
12846	2	Assay of Inhibition of Staphylococcus aureus RNA Polymerase	Fluorescence-detected RNA polymerase assays with S. aureus RNA polymerase were performed as in Example 17.1, using reaction mixtures containing (20 μl): 0-100 nM test salt, 75 nM S. aureus RNA polymerase core enzyme, 300 nM S. aureus σ A, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 μM ATP, 100 μM GTP, 100 μM UTP, 100 μM CTP, 40 mM Tris-HCl, pH 8.0, 80 mM NaCl, 5 mM MgCl2, 2.5 mM DTT, and 12.7% glycerol. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
12846	3	Assay of Inhibition of Escherichia coli RNA Polymerase	Fluorescence-detected RNA polymerase assays with E. coli RNA polymerase were performed by a modification of the procedure of Kuhlman et al., 2004 [Kuhlman, P., Duff, H. & Galant, A. (2004) A fluorescence-based assay for multisubunit DNA-dependent RNA polymerases. Anal. Biochem. 324, 183-190]. Reaction mixtures contained (20 μl): 0-100 nM test salt, 75 nM E. coli RNA polymerase σ70 holoenzyme, 20 nM 384 bp DNA fragment containing the bacteriophage T4 N25 promoter, 100 μM ATP, 100 μM GTP, 100 μM UTP, 100 μM CTP, 50 mM Tris-HCl, pH 8.0, 100 mM KCl, 10 mM MgCl2, 1 mM DTT, 10 μg/ml bovine serum albumin, and 5.5% glycerol. Reaction components other than DNA and NTPs were pre-incubated for 10 min at 37° C. Reactions were carried out by addition of DNA and incubation for 5 min at 37° C., followed by addition of NTPs and incubation for 60 min at 37° C. DNA was removed by addition of 1 μl 5 mM CaCl2 and 2 U DNaseI (Ambion, Inc.), followed by incubation for 90 min at 37° C. RNA was quantified by addition of 100 μl RiboGreen RNA Quantitation Reagent (Invitrogen, Inc.; 1:500 dilution in Tris-HCl, pH 8.0, 1 mM EDTA), followed by incubation for 10 min at 25° C., followed by measurement of fluorescence intensity [excitation wavelength=485 nm and emission wavelength=535 nm; QuantaMaster QM1 spectrofluorometer (PTI, Inc.)]. IC50 is defined as the concentration of inhibitor resulting in 50% inhibition of RNA polymerase activity.
12847	1	In Vitro Assay	Binding affinity of the test compounds for human MLKL (full length), mouse MLKL (full length), human RIPK1 and human RIPK3 was determined using the KINOMEscan™ technology developed by DiscoverX (USA; http://www.discoverx.com). The assay was conducted according to manufacturer instructions.
12848	1	TBD	TBD
12848	2	TBD	TBD
12848	3	TBD	TBD
12848	4	TBD	TBD
12849	1	Phosphorylation Assay SIK1-3	In the presence of SIK2 (resp. SIK1 or SIK3) and ATP the CHK-peptide (KKKVSRSGLYRSPSMPENLNRPR with C-terminal arginine amide modification) were phosphorylated at one of the four feasible serine&#39;s. Only one phosphorylation is observed under the assay conditions. 60 nl of each compound dilution series (12 point; dilution factor 3, generally 30 μM to 170 pM) in DMSO were transferred by acoustic dispensing to the assay plate and 30 minutes pre-incubated (ambient temperature) after the addition of 5 μl SIK1 (5 nM) resp. 5 μl SIK2 (0.5 nM) or 7 μl SIK3 (1.5 nM) in assay-buffer (12.5 mM HEPES (pH 7.0), 10 mM magnesium acetate, 0.005% BSA). 10 μM CHK-peptide solution and 5 μl of 100 μM ATP for SIK1 & SIK2 resp. 3 μl for SIK3 in assay-buffer were added and incubated ambient for 45 minutes. 40 μl of 0.125% formic acid in water were added to quench the reaction. RapidFire (RF) Mass Spectrometry was utilized for data generation as described below. The multiple charged species (3-5 charges) for the phosphorylated and non-phosphorylated form measured by MRM (Multiple Reaction Monitoring; API5000 or 6500+) or EIC (Extracted Ion Current; QToF) were summed up and the ratio calculated (sum phosphorylated species/sum all species) for data evaluation. Normalization was performed by Genedata software based on the non-inhibition control DMSO and the commercially available STK inhibitor @1 μM YKL-05-099 (CAS number 1936529-65-5).
12850	1	ENPP1 Enzymatic Inhibition in Biochemical Assay	ENPP1 was a transmembrane glycoprotein capable of hydrolyzing nucleotides and derivatives with a nucleotide-5′-monophosphate structure. ENPP1 was capable of hydrolyzing artificial thymidine 5′-monophosphate p-nitrophenyl ester (TMP-pNP) into nucleotide 5′-monophosphate and p-nitrophenol which was a chromogenic product. The formation amount of p-nitrophenol product could be directly measured by its absorbance at 405 nm, which was directly proportional to the enzyme activity.
12851	1	Phosphorylation Assay	In the presence of SIK2 (resp. SIK1 or SIK3) and ATP the CHK-peptide (KKKVSRSGLYRSPSMPENLNRPR with C-terminal arginine amide modification) were phosphorylated at one of the four feasible serine&#39;s. Only one phosphorylation is observed under the assay conditions. 60 nl of each compound dilution series (12 point; dilution factor 3, generally 30 μM to 170 pM) in DMSO were transferred by acoustic dispensing to the assay plate and 30 minutes pre-incubated (ambient temperature) after the addition of 5 μl SIK1 (5 nM) resp. 5 μl SIK2 (0.5 nM) or 7 μl SIK3 (1.5 nM) in assay-buffer (12.5 mM HEPES (pH 7.0), 10 mM magnesium acetate, 0.005% BSA). 10 μM CHK-peptide solution and 5 μl of 100 μM ATP for SIK1 & SIK2 resp. 3 μl for SIK3 in assay-buffer were added and incubated ambient for 45 minutes. 40 μl of 0.125% formic acid in water were added to quench the reaction. RapidFire (RF) Mass Spectrometry was utilized for data generation as described below. The multiple charged species (3-5 charges) for the phosphorylated and non-phosphorylated form measured by MRM (Multiple Reaction Monitoring; API5000 or 6500+) or EIC (Extracted Ion Current; QToF) were summed up and the ratio calculated (sum phosphorylated species/sum all species) for data evaluation. Normalization was performed by Genedata software based on the non-inhibition control DMSO and the commercially available SIK inhibitor @1 μM YKL-05-099 (CAS number 1936529-65-5). 
12852	1	Inhibitory Activity Test Against SARS-CoV-2 3CL Protease	Preparation of Assay Buffer:In this test, an assay buffer consisting of 20 mM Tris-Hl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used. For compounds with an IC50 value of 10 nM or less, an assay buffer consisting of 20 mM Tris-HCl, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used.Diluting and Dispensing of Test Sample:The test sample is preliminarily diluted with DMSO to an appropriate concentration, and a 2- to 5-fold serial dilution series is prepared and then dispensed into a 384-well plate.Addition of Enzyme and Substrate and Enzymatic Reaction:To the prepared compound plate, 8 μM of substrate and 6 or 0.6 nM of enzyme solution are added and incubation is performed for 3 to 5 hours at room temperature. Thereafter, a reaction stop solution (0.067 μM Internal Standard, 0.1% formic acid, 10 or 25% acetonitrile) is added to stop the enzymatic reaction.Measurement of Reaction Product:The plate in which the reaction has been completed is measured using RapidFire System 360 and mass spectrometer (Agilent Technologies, Inc., 6550 iFunnel Q-TOF), or Rapid Fire System 365 and mass spectrometer (Agilent Technologies, Inc., 6495C Triple Quadrupole). As the mobile phase at the time of measurement, A solution (75% isopropanol, 15% acetonitrile, 5 mM ammonium formate) and B solution (0.01% trifluoroacetic acid, 0.09% formic acid) are used.Reaction products detected by the mass spectrometer are calculated using RapidFire Integrator or a program capable of performing equivalent analysis and are taken as Product area value. Furthermore, Internal Standard detected at the same time is also calculated and taken as Internal Standard area value.
12853	1	In Vitro Enzymatic Inhibitory Activity Assay	SupplierReagent HEPES Life TechnologiesBRIJ 35 detergent (10%) MerckMgCl2 SigmaHTRF KinEASE-TK kit CisbioFAK SignalchemATP PromegaDTT (DL-Dithiothreitol) SigmaConsumablesTopseal A Perkin Elmer96 Well Plates NuncProxiPlate-384 Plus Perkin ElmerInstrumentsPlate reader Perkin ElmerCentrifuge Eppendorf2. Experimental PROCEDURE1) To 384-well dilution plate was added 50 μL of compound.2) Samples in each column were serially diluted with DMSO at a ratio of 1:3, with 10 samples diluted each time, as well as a control containing only DMSO.3) 0.1 μL of the diluted solution of the compound in each row was transferred to a 384-well assay plate, with 2 replicates for each column.4) To the assay plate was added 5 μL of 2× enzyme solution, centrifuged at 1000 rpm for 1 minute, and incubated at 25° C. for 15 minutes.5) To a 384-well assay plate was added 5 μL of 2× substrate solution.6) Incubation at 25° C. for 60 minutes.7) To assay plate were added 5 μL of Sa-XL665 solution and 5 μL of TK antibody-Eu3+, and centrifuged at 1000 rpm for 1 minute.2) Incubation at 25° C. for 60 minutes.8) Acquisition of fluorescence signals using Envision 2104 Reader.
12854	1	CRBN-DDB1 Fluorescence Polarization (FP) Assay	Measuring compound ligand binding to CRBN-DDB1 was carried out using an established sensitive and quantitative in vitro fluorescence polarization (FP) based binding assay. (See, I. J. Enyedy et al, J. Med. Chem., 44: 313-4324 [2001]). Compounds were dispensed from serially diluted DMSO stock into black 384-well compatible fluorescence polarization plates using an Echo acoustic dispenser. Compound binding to CRBN-DDB1 was measured by displacement of either a (+)Thalidomide-Alexa Fluor® or Pomalidomide-fluorescein conjugated probe dye. A 20 μL mixture containing 400 nM CRBN-DDB1 and 5 nM probe dye in 50 mM Hepes, pH 7.4, 200 mM NaCl, 1% DMSO and 0.1% pluronic acid-127 acid was added to wells containing compound and incubated at room temperature for 60 min. Matching control wells excluding CRBN-DDB1 were used to correct for background fluorescence. Plates were read on an Envision plate reader with appropriate FP filter sets. The corrected S (perpendicular) and P(parallel) values were used to calculate fluorescence polarization (FP) with the following equation: FP=1000*(S−G*P)/(S+G*P). The fractional amount of bound probe (FB) to CRBN-DDB1 as a function of compound concentration was fitted according to Wang; FEBS Letters 360, (1995), 111-114 to obtain fits for parameter offsets and binding constant (KA) of competitor compound.
12855	1	TNFα Binding Assay	Table 15: TNFα binding was measured in black 96-well plates using a time-resolved FRET assay using a previously described fluorescence acceptor TNFα probe (Xiao et al J. Med. Chem. 2020). Biotinylated TNFα was purchased from Acro Biosystems. Binding reactions were conducted in 20 mM Hepes (pH 7.5) 10 mM MgCl2 0.015% Tween-20 0.05 mg/ml BSA 2% DMSO with 1 nM TNFα 0.5 nM Streptavidin-Tb and 80 nM probe. Test compounds were resuspended in DMSO and 3-fold serial dilutions were made at 100× final concentrations. Fluorescence was measured using λex=340 nm, λem=490, 520 nm on an SpectraMax M5e plate reader (Molecular Devices) after 16 hr incubation time. Dose responses were conducted in duplicate and normalized to the response with DMSO (high) and 100 nM (R)-3-(1-((3-chloro-7-fluoro-6-(2-(2-hydroxypropan-2-yl)pyrimidin-5-yl)-2-methyl-1,5-naphthyridin-4-yl)amino)ethyl)-4-fluorobenzonitrile (low) on each plate. IC50 values were determined by fitting to 4-parameter curves in GraphPad Prism.
12855	2	Folate Receptor Binding Assay	Table 15: Folate receptor binding was measured in black 96-well plates using a fluorescence polarization assay. A fluorescent probe consisting of a folate analog linked to Cy5 (FR-Cy) was custom synthesized. Test compounds were resuspended in DMSO and 3-fold serial dilutions were made from 300-0.015 μM (100× final concentrations). Binding reactions were conducted in 200 μl final volume in 20 mM Hepes (pH 7.5) 250 mM NaCl 0.0150 Tween-20 1% DMSO with 2.5 nM folate receptor beta (Acro Biosystems) and 2 nM probe. Fluorescence polarization was measured using λex=620 nm, λem=688 nm on an Envision plate reader (Perkin Elmer) after 2 hr incubation time. Dose responses were conducted in duplicate and normalized to the response with DMSO (high) and 1 μM folic acid (low) on each plate. IC50 values were determined by fitting to 4-parameter curves in GraphPad Prism.
12855	3	Folate Receptor SPR Assay	Table 16: Folate receptor SPR binding assays were conducted on a Biacore 8K instrument (Cytiva) using biotinylated folate receptor beta (Acro Biosystems). Briefly, folate receptor was immobilized at -550 RU on a streptavidin chip (Cytiva) in 10 mM HEPES pH 7.5, 150 mM NaCl, 0.05% Tween 20. Multi-cycle kinetic studies were conducted with 8 compound concentrations using 2-fold dilutions in 10 mM HEPES pH 7.5, 150 mM NaCl, 0.05 % Tween 20, 2% DMSO at 25° C. A flow rate or 75 μl/mmn with an association time of 120 s and a dissociation time of 600 s were used. Surfaces were regenerated with 4 M MgCl2 at 30 μl/min for 30 s. Data were fit to a 1:1 model to determine the reported binding parameters.
12856	1	Competitive Binding Assay	TBD
12857	1	In Vitro Inhibition on FAAH and MAGL Activity Assay	The inhibitory effect of compounds of Formula (I-IV) on the activity of human recombinant FAAH was studied using a commercial inhibitor screening kit (Cayman Chemicals, Godlewski et al., 2010 [19]). In brief, FAAH hydrolyzes AMC arachidonoyl amide resulting in the release of the fluorescent product, while the inhibitor will inhibit the FAAH activity and thus reduce the fluorescent signal. The resulting fluorophore can be analyzed using an excitation wavelength of 340-360 nm and an emission wavelength of 450-465 nm by a plate reader (Synergy H1, Biotek). Inhibition is calculated as a percentage of the treated sample over the non-treated control based on the signal values, and where possible, a range of concentrations of compounds was tested to find the IC50 values (i.e. the concentration of compound that inhibited 50% FAAH activity).The inhibitory effect of the compounds on activity of human recombinant MAGL was also studied using a commercial inhibitor screening kit (Cayman Chemicals). In brief, MAGL hydrolyzes 4-nitrophenylacetate resulting in a yellow product, 4-nitrophenol with an absorbance at 405-412 nm, while the inhibitor will inhibit the MAGL activity and thus reduce the yellow signal. The absorbance of the yellow product can be analyzed using the plate reader. 
12858	1	Enzymatic Assay	Compound activity was determined in an in vitro enzymatic assay using untagged, full-length human PTPN2 (TC45) (1-387) protein. PTPN2 was produced in E. coli as a GST-TEV fusion and the GST was removed by TEV digestion, followed by additional purification to yield full-length PTPN2 (SEQ ID 1). PTPN2 enzyme was diluted in assay buffer (50 mM HEPES pH7.5, 0.2 mM EDTA, 1 mM DTT, 0.02% Brij-35, 0.02% BSA) to a final concentration of 0.5 nM and added to black 384-well non-binding plates (Greiner, 781900). Compounds were subsequently added using a Tecan D300e dispenser. Following a 10 min incubation at room temperature, DiFMUP substrate (ThermoFisher, D22065) was added to a final concentration of 100 μM. Plates were transferred to a SpectraMax plate reader (Molecular Devices) and fluorescence intensity was measured (ex 358, em 455) after a 30 min incubation at room temperature. Each plate included a 100% inhibition control (no enzyme) and a 0% inhibition control (DMSO) from which % inhibition for test compounds was calculated. A four-parameter curve fit was used to determine IC50 values from % inhibition data.
12859	1	CRBN Affinity Test	CRBN affinity experiments were performed to evaluate the binding affinity of AST-DT-135, AST-DT-218, and AST-DT-220 to CRBN proteins. First, CRBN proteins were expressed in E. coli and purified, and then the purified CRBN proteins were dissolved in a buffer solution (PBS). AST-DT-135, AST-DT-218, AST-DT-220, and lenalidomide hydrate were each dissolved in a solvent, and the CRBN proteins were dispensed into a 96-well plate, and then the CRBN proteins and AST-DT-135, AST-DT-218, AST-DT-220, and a lenalidomide hydrate were each mixed and reacted. After the mixture was sufficiently mixed and reacted, the binding strength at each concentration was measured to collect data, and a binding curve was created therefrom, and the KD (equilibrium dissociation constant) values were derived therefrom.
12860	1	 In Vitro Binding Affinity Assay Using hMC4R	The binding affinity of test compounds at the α-melanocyte-stimulating hormone receptor (hMC4R) was assessed using a radioligand competition binding assay. Recombinant Chinese hamster ovaries (CHO) cells stably expressing hMC4R (PerkinElmer #ES-191-C) were used for competitive binding. hMC4R membranes were grown in Dulbecco&#39;s Modified Essential Medium and Ham&#39;s F-12 Medium (DMEM/F12), 10% heat inactivated fetal bovine serum (FBS), 0.4 mg/mL Geneticin and 2 mM L-glutamine. Cell membranes were bulked and frozen until the assay was performed.
12861	1	CHK1 Inhibitory Activity Test	IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHKltide (R7185, Molecular Devices), and ATP were diluted with an assay buffer to the final concentration of 4 μq/mL, 2 μM, and 20 μM, respectively. FAM-PKAtide (R7255, Molecular Devices) and FAM-Phospho-PKAtide (R7304, Molecular Devices) were admixed after dilution, and calibration standard systems for phosphorylation levels from 0 to 100% were prepared. 5 μL of a compound dissolved in a 0.4% DMSO solution was added to a 384 well plate. A compound study group to which 5 μL of each of CHK1, CHK1tide, and ATP was added, and a standard group to which 20 μL of standard was added were prepared, and subjected to a kinase reaction for 3 hours at 30° C. Subsequently, 60 μL of Binding Reagent (80V % Buffer A, 20% Buffer B, 1:600 Binding Reagent, 1:400 Tb-Donor) was added for a binding reaction for 2 hours at room temperature. SpectraMax Paradigm (Molecular Devices) was used to obtain fluorescence intensity of 520 nm or 490 nm as of 340 nm excitation. The standard was used to compute the phosphorylation level of CHK1tide, and the kinase activity was found by using the equation described below while assuming the phosphorylation level of the DMSO treated group as 100%, and the IC50 value corresponding to the concentration of the evaluated compound indicating kinase activity of 50% was calculated.Kinase⁢inhibition⁢%=100-A/B×100A: signal in the presence of evaluated compoundB: signal in negative control (DMSO treated group)
12862	1	In Vitro SGLT2 Inhibitory Activity Assay	1. Materials and methods(1) MaterialsThe humanized SGLT2 overexpression cells (CHO-SGLT2) constructed from Chinese hamster ovary (CHO) cells were cultured in 1640 medium (Gibco) containing 10% fetal bovine serum (Gibco, 10270), subcultured at a ratio of 1:3, and replaced with new culture medium 3 times every week. Fluorescence detection cell culture plates and other culture flasks were purchased from Corning Company. Dapagliflozin was used as a positive control, and the test compounds were compound 2 and compound 3. Appropriate amounts of all compounds were weighed, prepared into 100 mM stock solutions with DMSO, and stored at 4° C. in the dark.(2) Main reagentsPreparation of choline buffer: 140 mM choline chloride, 5 mM KCl, 2.5 mM CaCl2, 1 mM MgSO4, 1 mM KH2PO4, 10 mM HEPES, pH adjusted to 7.4 with Tris base. The filtration was conducted with a 0.22 m membrane.Preparation of Na+ sodium buffer: 140 mM NaCl, 5 mM KCl, 2.5 mM CaCl2, 1 mM MgSO4, 1 mM KH2PO4, 10 mM HEPES, pH adjusted to 7.4 with Tris basePreparation of neutral lysate: 1% Nonidet P-40, 1% sodium deoxycholate, 40 mM KCl, pH adjusted to 20 mM Tris base.(3) InstrumentsMultifunctional microplate reader Biotek Synergy2(4) Detection of uptake of NBDG by cells:Before the 1-NBDG uptake test, CHO-SGLT2 cells were digested and seeded in a 96-well cell culture plate with a cell number of 40,000/well. After the cells were cultured for 48 h, the medium was discarded, and 100 μl of choline buffer was added to each well. After the cells were starved at 37° C. for 30 min, the choline buffer was discarded and 100 μl of the newly prepared Na+ sodium buffer containing 100 M 1-NBDG and the test compounds (Compound) was added. The solvent DMSO was used as the negative control (Control) for the test compounds.The Na+ sodium buffer without 1-NBDG was used as the blank control (Blank). After 1 h of culture, the incubation solution was discarded. The cells were washed with choline buffer solution 3 times, and then 50 μl of neutral lysate was added to each well to lyse the cells on ice for 10 min. The fluorescence value of each well was detected using a multi-functional microplate reader at Em=485/20 nm and Ex=528/20 nm.(5) Calculation and statistical methodsAt least 3 experimental replicates were set for each compound at indicated concentrations, and the data were expressed as mean±SEM. Uptake amount of 1-NBDG by cells=fluorescence value1-NBDG-fluorescence valueBlank. Inhibition rate on uptake amount of SGLT2 glucose (%)=(uptake amountcontrol−uptake amountcompound)/uptake amountcontrol×100%. Concentration-inhibition rate curves were plotted using Graphpad Prism software, and IC50 values were calculated accordingly.
12863	1	PDGFRα Kinase Assay	The PDGFRα enzyme assays were conducted per the manufacturer&#39;s directions (Promega PDGFRα Kinase Enzyme System and ADP Glo Assay Cat #V8011). Briefly, exemplary PDGFRα inhibitor compounds described herein were assayed in an 11-point dose response curve with a maximum concentration of 10,000 nM and 3-fold dilutions to a minimum concentration of 0.169 nM. 20 ng of purified PDGFRα protein was added to the test article. Subsequently, 150 uM of ATP and 1 μg of substrate, Poly (Glu4Tyr1) was added to each reaction, and the PDGFRα kinase mediated conversion of ATP (adenosine triphosphate) to ADP (adenosine diphosphate) was allowed to continue for two hours. ADP-Glo was added to halt the kinase reaction and deplete the remaining ATP. Kinase detection reagent, containing luciferase and luciferin, was used to convert the ADP signal into luminescence. Luminescence was measured using a Molecular Devices Spectramax ID5 and compared to a standard curve to determine kinase activity. IC50s were calculated using Prism 9, Graphpad software.
12864	1	GCN2 Enzyme Inhibition Assay	The inhibitory activity of the Example compounds towards GCN2 enzyme was measured according to the description below, using a LanthaScreen TR-FRET (Time Resolved Fluorescence Resonance Energy Transfer) Kinase Activity assay distributed by ThermoFisher Scientific.The full-length human GCN2 enzyme (UniProt accession number Q9P2K8) was used for all experiments (Carna Bioscience). The TR-FRET pair was composed of GFP-elF2a and LanthaScreen Terbium-labeled anti-pelF2a (pSer52) Antibody.Each example compound was dissolved in DMSO (0.15 mM) and dispensed in a 384-well plate by a D300 dispenser (Tecan) to a final concentration range 3000-0.13 nM using the logarithmic dilution mode in 2 replicates. Full inhibition (3000 nM commercial reference inhibitor) and DMSO vehicle control wells were also included on the same plate. All volumes were normalized to the final DMSO concentration of 2% of the reaction volume. Next, 5 μL of H2O was added to each well of the plate.
12865	1	WRN (BV08) ADP-Glo Assay	Bovine skin gelatin (BSG), dimethyl sulfoxide (DMSO), Pluronic F-127 and tris(2-carboxyethyl)phosphine hydrochloride solution (TCEP) were purchased from Sigma-Aldrich (St. Louis, MO) at the highest level of purity possible. Bicine buffer solution was purchased from Alfa Aesar (Tewksbury, MA) and compound NSC-617145 was purchased from Tocris (Minneapolis, MN). DNA duplex was synthesized at BGI (Shenzhen, China) and was composed of strand 1 with the sequence 5′-GCACTGGCCGTCGTTTTACGGTCG-3′ (SEQ ID NO.: 1) and strand 2 with the sequence 5′-TCCAAGTAAAACGACGGCCAGTGC-3′ (SEQ ID NO.: 2). DNA strands were annealed by heating to 95° C. for 5 minutes followed by slow cooling to room temperature. Compounds in 100% DMSO (0.1 μl) were spotted into a 384-well white polystyrene Optiplate-384 (Perkin Elmer; Waltham, MA) assay plate using a LabCyte Echo 550 (Agilent; Santa Clara, CA). DMSO (0.1 μl) was added to columns 12, rows A-H and column 24, rows I-P for the maximum signal control. Compound NSC-617145 (0.1 μl) was added to columns 12, rows I-P and 24, rows A-H for the minimum signal control (100% inhibition). Compounds/DMSO were preincubated for 15 minutes at 25° C. with 5 μl 2×WRN (BV08), prepared as described below, in assay buffer containing 20 mM Bicine (pH=7.5), 1 mM MgCl2, 10 mM KCl, 0.1% Pluronic F-127, 0.005% BSG, 1 mM TCEP. The reaction was initiated by the addition of 5 μl 2× substrate mixture in assay buffer and incubated for 60 minutes at 25° C. The final concentrations of the assay components were 0.15 nM WRN, 5 μM ATP, and 0.1 nM DNA duplex. The final DMSO concentration was 1% and the reference compound concentration (NSC-617145) used for the minimal signal control was 20 μM. The reaction was stopped by the addition of the ADP-Glo Kit components (Promega; Madison, WI) as directed and the relative luminescence units (RLU) were read on an Envision 2104 (Perkin Elmer; Waltham, MA).
12866	1	Kinase Inhibitory Assay	The compounds were diluted in DMSO and configured into a solution with a final concentration of 10 mM; Dilute RIP1 kinase from 140 ng/μL to 20 ng/μL for use. Dilute 10 mM of ATP to 100 μM for later use; Dilute 5 mg/mL of MBP to 1 mg/mL for later use. Appropriate embodiments were added into the well of the 384-well plate, 10 μl 100M ATP was evenly mixed with 1 μl 1 mg/mL MB P, the mixed solution was added to the well, and 2 μL 20 ng/L RIP1 kinase was added to the hole, and then incubated at room temperature for 1 h. Subsequently, 5 μL ADP-Glo reagent was added to each well and incubated at room temperature for 40 min. Then, 10 μL ADP-Glo detection reagent was added to each well and incubated at room temperature for 30 min. Finally, the RLU value (relative light unit) of each well was measured by ATP fluorometer, and each sample was repeated twice. Inhibition rate=(RLU value of blank group−RLU value of drug administration group)/RLU value of blank group×100%.
12867	1	ErbB Enzyme Assay	In vitro enzyme assays based on CisBio HTRF-KinEASE-TK technology were used to determine compound potencies. EGFR WT (Invitrogen, cat #PR7295B) at 0.025 nM or ErbB2 V777L (Signal Chem, cat #E27-12IG-100) were incubated with 250 nM TK-substrate-biotin (CisBio, part of cat #62TKOPEC) along with test compounds in 50 mM HEPES, pH 7.5, 10 mM MgCl2, 1 mM EDTA, 0.01% Brij-35 in a final volume of 10 μL. The buffer contained 100 nM SEB (CisBio) for ErbB2 V777L, however SEB was not included for EGFR WT. The ATP concentration was at the Km for each enzyme (25 μM for EGFR WT, 110 μM for ErbB2 V777L). Compounds were prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 1 h incubation at ambient temperature, the reaction was quenched by adding 10 μL of 62.5 nM Sa-XL665 and 0.25×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TKOPEC). After another 1 h incubation at ambient temperature, the extent of substrate phosphorylation was determined using a PerkinElmer EnVision multimode plate reader via time-resolved fluorescence dual wavelength detection. The percent of control (POC) was calculated using the ratio of emission at 655 nm to the emission at 620 nm. One hundred POC was determined using DMSO only controls (no test compounds present) and zero POC was determined using pre-quenched controls reactions. A 4-parameter logistic equation was fit to the POC values as a function of the test compound concentration and the IC50 value was determined as the point where the curve crossed 50 POC.
12868	1	Binding Activity of the Compounds Disclosed by the Invention to E3 Ubiquitin Ligase CRBN	The detection is based on homogeneous time-resolved fluorescence (HTRF) technology. When the donor and the acceptor are close, the donor can transfer energy to the acceptor, exciting it to emit light at 665 nm.The donor used in this kit was Europium-labeled GST antibody (GST Eu Cryptate Antibody), and the acceptor was thalidomide labeled with XL665 (Thalidomide-Red reagent). The donor binded to the CRBN protein containing the GST tag. The disclosed compounds in the present, along with lenalidomide and pomalidomide, competitively binded to the CRBN protein with thalidomide. The binding activity of the compounds was determined based on the fluorescence value emitted at 665 nm. The stronger the binding affinity of the compounds, the weaker the signal.The donor and acceptor were diluted 50 times using the binding buffer from the kit (PROTAC binding buffer 1). The CRBN protein was diluted 45 times. The disclosed compound solution at 8 mM was diluted 10 times with the diluent from the kit (1× diluent), followed by a five-fold gradient dilution, performed 7 times sequentially.5 μl of compound, 5 μl of diluted CRBN protein and 10 μl of donor-receptor mixture in equal volume were sequentially added to wells of a white 384-well plate (PE, Part number: 6008280). Incubate at room temperature for 3 hours.The ratio of the emission signals from the acceptor and donor in each individual well is calculated.
12869	1	Inhibition of KRASG12C and cRAF Binding Assay	The AlphaScreen technology was used to determine IC50S for compound inhibition of KRAS G12C (present as the Cys-light (C51S, C80L and C118S), truncated version comprising amino acids 1-169) and cRAF interaction. Compounds were diluted in 100% DMSO and each compound concentration was spotted at 200 nl/well onto low volume, white 384 well plates. The KRAS G12C contained a biotin-AviTag and the cRaf, as Ras-binding domain (amino acids 50-131, RBD), was GST-tagged. KRAS G12C was preloaded with the GTP analogue Guanosine 5′-[β,γ-imido]triphosphate (GMPPNP). The KRAS G12C was diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 10 μM GMPPNP and added at 10 ul/well to compound-spotted plates resulting in a DMSO concentration of 2%. Plates were incubated for 2 hours. A mixture of RBD and the AlphaScreen streptavidin donor and glutathione acceptor beads diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 2% DMSO was then added at 10 ul/well and incubated for 60-90 minutes before the samples were read for emission at 570 nm after excitation of the donor beads at 680 nm. All incubations were performed at room temperature. The final top compound concentration was 50 μM with 1:3 titrations for 10-point dose response curves. Final assay conditions were 0.5 nM KRAS G12C, 0.75 nM RBD and 5 μg/ml each of AlphaScreen donor and acceptor beads. IC50S were determined using nonlinear regression fit of [inhibitor] vs. response (4 parameters). A counter assay was also set up to rule out inhibitors of the AlphaScreen technology itself. Compound plates were incubated for 2 hours as above with buffer only. The AlphaScreen beads were added as above except biotin-AviTag-GST was substituted for the RBD.
12869	2	Inhibition of KRASG12C and PI3Ka Binding Assay	The AlphaScreen technology was used to determine IC50S for compound inhibition of KRAS G12C (present as the Cys-light (C51S, C80L and C118S), truncated version comprising amino acids 1-169) and PI3Ka interaction. Compounds were diluted in 100% DMSO and each compound concentration was spotted at 200 nl/well onto low volume, white 384 well plates. The KRAS G12C contained a biotin-AviTag and the PI3Ka, as Ras-binding domain (amino acids 157-300, RBD), was His-tagged. KRAS G12C was preloaded with the GTP analogue Guanosine 5′-[β,γ-imido]triphosphate (GMPPNP). The KRAS G12C was diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 10 μM GMPPNP and added at 10 ul/well to compound-spotted plates resulting in a DMSO concentration of 2%. Plates were incubated for 2 hours. A mixture of RBD and the AlphaScreen streptavidin donor and nickel chelate acceptor beads diluted in 25 mM Hepes, pH 7.4, 150 mM NaCl, 5 mM MgCl2, 0.01% TritonX-100 and 2% DMSO was then added at 10 ul/well and incubated for 60-90 minutes before the samples were read for emission at 570 nm after excitation of the donor beads at 680 nm. All incubations were performed at room temperature. The final top compound concentration was 50 μM with 1:3 titrations for 10-point dose response curves. Final assay conditions were 1.5 nM KRAS G12C, 100 nM RBD, 1.25 ug/ml of AlphaScreen donor beads and 10 μg/ml AlphaLISA acceptor beads. IC50s were determined using nonlinear regression fit of [inhibitor] vs. response (4 parameters).A counter assay was also set up to rule out inhibitors of the AlphaScreen technology itself. Compound plates were incubated for 19-20 hours as above with buffer only. The AlphaScreen beads were added as above except an unrelated biotinylated His-tagged peptide was substituted for the RBD.
12870	1	DYRK1A Kinase Assay	Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves from 10 μM to 0.00016 μM) and compound transfer was performed using the ECHO 550 (Labcyte, Sunnyvale, CA) into 1536-well black-walled round bottom plates (Corning).The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer&#39;s instructions (Life Technologies—a Division of Thermo-Fisher). This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity which is represented as a ratio of coumarin emission/fluorescein emission.Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.25 μg/mL, 15 μM, and 4 μM respectively. The mixture was allowed to incubate with the representative compounds for one hour at room temperature. All reactions were performed in duplicate. Unphosphorylated (“0% Control”) and phosphorylated (“100% control”) forms of Ser/Thr 18 served as control reactions. Additionally, an 11-point dose-response curve of Staurosporine (1 uM top) was run to serve as a positive compound control.After incubation, Development Reagent A was diluted in Development Buffer then added to the reaction and allowed to further incubate for one hour at room temperature. The plate was read at Ex 400 Em 455 to detect the coumarin signal and Ex 400 Em 520 to measure the signal (EnVision Multilabel Plate Reader, PerkinElmer).
11221	1	Fluorescence Polarization (FP) Assay	The FP experiments were performed in 96-well Microfluor 2 black plates (Waltham, MA), and the sample signals were read by a Synergy 2 plate reader (Biotek, Winooski, VT). The polarization was measured at room temperature with an excitation wavelength at 485 nm and an emission wavelength at 535 nm. All of the FP experiments were performed in an assay buffer of 137 mM NaCl, 2.7 mM KCl, 10 mM Na2HPO4, 2 mM KH2PO4, 100 pug/mL of bovine γ-globulin, and 0.010% Triton X-100. The final reaction volume was set to 100 μL. In the FP saturation binding experiments, the concentration of human BCL9 fluorescent tracer was fixed at 5 nM. The concentrations of β-catenin were ranged from 0 to 10 μM in the assay buffer giving a final volume of 100 μL. After the addition, each assay plate was covered black and gently mixed on an orbital shaker for 3 h before the polarization signals were recorded. The data were analyzed by nonlinear least-square analyses using GraphPad Prism 5.0 to derive the apparent Kd value. Each experiment was repeated three times, and the results were expressed as mean±standard deviation.
12239	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 μL of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP® 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 μM; FL-IPTSPITTTYFFFKKK peptide 1.5 μM; IRAK4, 0.6 nM; and DMSO, 1.6%.
12871	1	SAR-CoV-2 MPro Enzyme inhibition IC50 determination	The inhibition of the SAR-CoV-2 MPro Enzyme was measured by the method of Mesecar et al.20: The fluorescence of the cleaved FAM peptide (excitation 480 nm/emission 520 nm) was measured using a fluorescence intensity protocol on a Pherastar FX (BMG). The assay reaction buffer contained 20 mM HEPES (pH 7.3), 50 mM NaCl, 10% Glycerol, 1 mM TCEP, 0.01 % Tween-20. Compounds were pre-incubated with 5 nM SARS-CoV-23CL protease for 15 minutes at 23 °C. Enzyme reactions were initiated with the addition of 375 nM [5-FAM]-AVLQSGFR-[Lys(Dabcyl)-K-amide substrate and allowed to proceed for 30 minutes at 23 °C. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity). IC5o values were generated using a 4-parameter hill slope fit model using Vault software (CDD).
12871	2	MERS-CoV MPro Enzyme inhibition IC50 determination	The inhibition of the MERS-CoV-2 MPro Enzyme was measured by an analogous method to that of Mesecar et al.20 The fluorescence of the cleaved FAM peptide (excitation 480 nm/emission 520 nm) is measured using a fluorescence intensity protocol on a Pherastar FX (BMG).The assay reaction buffer contained 20 mM HEPES (pH 7.3), 50 mM NaCl, 1 mM TCEP, 0.1 mg/ml BSA and 0.01% Triton x-100. Compounds were pre-incubated with 50 nM MERS 3CL protease for 15 minutes at 23° C. Enzyme reactions were initiated with the addition of 550 nM (5-FAM)-GVLQSGLV-K(Dabcyl)-K-NH2 substrate and allowed to proceed for 60 minutes at 23 °C. Percent inhibition or activity was calculated based on control wells containing no compound (0% inhibition/100% activity). IC5o values were generated using a 4-parameter hill slope fit model using Vault software (CDD).
12871	3	SARS-CoV-2 Hela ACE2 EC50 determination and MERS-CoV Vero TMPRSS2 EC50 determination	Four thousand HeLa-ACE2 or Vero-TMPRSS2 cells (BPS Bioscience) were seeded into 96-well plates in DMEM (10% FBS) and incubated for 24 hours at 37°C, 5% CO2. Two hours before infection, the medium was replaced with 100 pL of DMEM (2% FBS) containing the compound of interest at concentrations 50% greater than those indicated, including a DMSO control. Plates were then transferred into the BSL3 facility and an MOI of 0.25 of SARS-CoV-2 or MERS-CoV was added in 50 pL of DMEM (2% FBS), bringingthe final compound concentration to those indicated. Plates were then incubated for 24 hours at 37 °C. After infection, supernatants were removed and cells were fixed with 4% formaldehyde for 24 hours prior to being removed from the BSL3 facility. The cells were then immunostained for the viral N protein (an inhouse mAb 1C7, provided by Dr. Andrew Duty, (Icahn School of Medicine at Mount Sinai), with a DAPI counterstain. Infected cells (488 nm) and total cells (DAPI) were quantified using the Cytation 1 (Biotek) imaging cytometer. Infectivity was measured by the accumulation of viral N protein (fluorescence accumulation). Percent infection was quantified as ((Infected cells/Total cells) - Background) *100 and the DMSO control was then set to 100% infection for analysis. Data was fit using nonlinear regression and IC50s for each experiment were determined using GraphPad Prism version 10.0.0 (San Diego, CA). Cytotoxicity was also performed using the MTT assay (Roche), accordingto the manufacturer’s instructions. Cytotoxicity was performed in uninfected cells with same compound dilutions and concurrent with viral replication assay. All assays were performed in biologically independent triplicates.
12872	1	Determination of the value of binding affinity constant (KO between the compound and BRD4 BD1 protein	The purity of BRD4 BD1 protein used in the experiment was greater than 95%, and the protein concentration was 43.4 uM. The 96-well plate was purchased from Corning (black, #3694). The multifunctional microplate reader was a product of TECAN, model: SPARK 10M. Buffer: 100 mM potassium phosphate (pH 6.5), 2% ethylene glycol (Sigma) and 0.01% Trition X-100 (Sigma). The experimental water was Millipore-Q pure water.The specific experimental steps were as follows.First, the compound to be tested was dissolved in ethylene glycol to prepare into a 10 mM standard stock solution. Subsequently, the standard stock solution of the compound to be tested was diluted into a working sample solution with the buffer in an EP tube and ready for use. The concentration of the prepared working sample solution was 5 times of the highest sample concentration required on the test plate (5×test compound solution).40 λL of a 5× test compound solution of a sample A was added to wells B1-B3 of a 96-well plate, and 40 μL of a 5× test compound solution of a sample B was added to wells B7-B9 of the 96-well plate, respectively. 20 uL of the buffer was added to the remaining wells, except for wells B1-B3 and B7-B9. Then, 20 uL of a solution was taken from wells B1-B3 to C1-C3, and this 2-fold dilution was repeated from C1-C3 until H4-H6; in the same way, 20 uL of a solution was taken from B7-B9 to C7-C9, this 2-fold dilution was repeated from C7-C9 until H10-H12. Finally, 80 uL of a mixed solution containing 2.5 nM Tracer and 37.5 nM BRD4 BD1 protein was added to each well.
12872	2	Determination of the value of binding affinity constant (KO between the compound and BRD4 BD2 protein	The purity of BRD4 BD2 protein used in the experiment was greater than 95%, and the protein concentration was 46.33 uM. The 96-well plate was purchased from Corning (black, #3694). The multifunctional microplate reader was a product of TECAN, model: SPARK 10M. Buffer: 100 mM potassium phosphate (pH 6.5), 2% ethylene glycol (Sigma) and 0.01% Trition X-100 (Sigma). The experimental water was Millipore-Q pure water.The Ki value of the compound and BRD4 BD2 protein was measured according to the FP test procedures for detecting the Ki value of the compound and BRD4 BD1 protein except that the BRD4 BD1 protein was replaced with the BRD4 BD2 protein.
12873	1	Biochemical Assay	In these experiments, compounds from Example 1 were evaluated in a biochemical assay to characterize ligand binding to TLX by detecting alterations in the ability of the TLX ligand binding domain to recruit an NR box peptide derived from the nuclear receptor-interacting protein 1 (NRIP1; receptor-interacting protein 140 (RIP140) transcriptional cofactor. RIP140 has been previously identified as a TLX interacting protein. AlphaScreen (Perkin Elmer, Shelton, CT) technology was used to detect the TLX-RIP140 NR box peptide interaction. The AlphaScreen assay was performed as previously described using other nuclear receptors including ROR, FXR, LXR, VDR and RXR. The present experiments used the N-terminal his-tagged ligand-binding domain (LBD) of TLX (NovAliX SAS, Strasbourg, France) and an N-terminal biotinylated RIP140-L6 peptide with a N-terminal KGG linker, namely (KGGQDTSKNSKLNSHQKVTLLQLLLGHKNEENV (aa484-513)).
12874	1	JAK Caliper Enzyme Assay at 4 uM ATP	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 μM. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 μM and a 2% DMSO concentration. Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 4 uM ATP and 1 M peptide substrate. The JAK3 assays contained 1 M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
12874	2	JAK Caliper Enzyme Assay at 1 mM ATP	Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO with a top concentration of 600 μM. The test compound plate also contained positive control wells containing a known inhibitor to define 100% inhibition and negative control wells containing DMSO to define no inhibition. The compound plates were diluted 1 to 60 resulting in a top final assay compound concentration of 10 μM and a 2% DMSO concentration. Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 M peptide substrate. The JAK3 assays contained 1 M of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition 1 nM JAK3 enzyme and were incubated at room temperature 75 minutes for JAK3. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. The assay plates were placed on a Caliper Life Science Lab Chip 3000 (LC3000) instrument, and each well was sampled using appropriate separation conditions to measure the unphosphorylated and phosphorylated peptide.
12875	1	Enzymatic Assay	Compound activity was determined in an in vitro enzymatic assay using untagged, full-length human PTPN2 (TC45) (1-387) protein. PTPN2 was produced in E. coli as a GST-TEV fusion and the GST was removed by TEV digestion, followed by additional purification to yield full-length PTPN2 (SEQ ID 1). PTPN2 enzyme was diluted in assay buffer (50 mM HEPES pH7.5, 0.2 mM EDTA, 1 mM DTT, 0.02% Brij-35, 0.02% BSA) to a final concentration of 0.5 nM and added to black 384-well non-binding plates (Greiner, 781900). Compounds were subsequently added using a Tecan D300e dispenser. Following a 10 min incubation at room temperature, DiFMUP substrate (ThermoFisher, D22065) was added to a final concentration of 100 μM. Plates were transferred to a SpectraMax plate reader (Molecular Devices) and fluorescence intensity was measured (ex 358, em 455) after a 30 min incubation at room temperature. Each plate included a 100% inhibition control (no enzyme) and a 0% inhibition control (DMSO) from which % inhibition for test compounds was calculated.
12876	1	KAT6A Biochemical Assay	TR-FRET based methods were used for assaying compounds of the present invention for KAT6A enzyme inhibitory activity. TR-FRET is a homogeneous proximity assay where Europium-labelled anti-acetyl lysine antibody binds to the acetylated substrate labelled with biotin, which in turn binds to streptavidin-labelled APC fluorescence acceptor. Europium can transfer energy to APC in the complex and the interaction of two dye-labelled binding partners is detected by the energy transfer between a donor and an acceptor dye and the subsequent light emission by the acceptor dye. KAT6A transfer an acetyl group from acetyl CoA to lysine amino acids of histones/target proteins. Typically, 5 μL of human-KAT6A (MYST domain 507-778 aa) in assay buffer (100 mM Tris HCl (pH 7.8), 15 mM NaCl, 1 mM EDTA, 0.01% Tween-20, 0.02% BSA, 1 mM DTT) is added to 384-well plate containing 5 μL of selected test compound in final 1% DMSO, serially diluted in 1:3 in an 8-10-point titration. The selected compound of the present invention and enzyme are incubated for 30 min on plate shaker at 300 rpm at 25° C. Next, 5 μL of substrate mix containing histone H4 peptide and acetyl-CoA in assay buffer is added to the plate. The final concentrations of H4 peptide and acetyl-CoA are 200 nM and 600 nM, respectively. Following 60 min reaction at 25° C. on plate shaker at 300 rpm, 5 μL of detection mix containing Europium-labelled anti-acetyl antibody and streptavidin-APC is added to the reaction wells. The plate is further incubated at 25° C. on shaker at 300 rpm and is read in TR-FRET mode (Ex:340 nm; Em: 615 nm and 665 nm) on a plate reader to achieve ˜5-7-fold activity. The percent inhibition was calculated from the ratio of the fluorescence (FL) intensities [(F665/F615)×10000) using the formula (Control FL ratio−(Sample FL ratio/Control FL ratio))×100.
12877	1	Enzymatic Assay	Compound activity was determined in an in vitro enzymatic assay using untagged, full-length human PTPN2 (TC45) (1-387) protein. PTPN2 was produced in E, coli as a GST-TEV fusion and the GST was removed by TEV digestion, followed by additional purification to yield full-length PTPN2 (SEQ ID 1). PTPN2 enzyme was diluted in assay buffer (50 mM HEPES pH7.5, 0.2 mM EDTA, 1 mM DTT, 0.02% Brij-35, 0.02% BSA) to a final concentration of 0.5 nM and added to black 384-well non-binding plates (Greiner, 781900). Compounds were subsequently added using a Tecan D300e dispenser. Following a 10 min incubation at room temperature, DiFMUP substrate (ThermoFisher, D22065) was added to a final concentration of 100 μM. Plates were transferred to a SpectraMax plate reader (Molecular Devices) and fluorescence intensity was measured (ex 358, em 455) after a 30 min incubation at room temperature. Each plate included a 100% inhibition control (no enzyme) and a 0% inhibition control (DMSO) from which % inhibition for test compounds was calculated. A four-parameter curve fit was used to determine IC50 values from % inhibition data.
12878	1	HDAC1 & HDAC3 Inhibition Assay	IC50 determination for HDAC1 and HDAC3—Prior to adding reagents, 50 nL/well of compound were added to Proxiplates using an Echo dispenser instrument (Beckman Coulter, CA, US). After addition of compound, 2.5 μL/well of 2× enzyme solution was added and the enzyme was pre-incubated with compound for 3 hours at room temp. (˜22° C.). After the pre-incubation period, the enzyme reaction was initiated by adding 2.5 μL/well of 2× Fluor de Lys® substrate solution. The assay reaction was stopped after one hour by adding 5 μl/well of a 0.66× Developer solution containing TSA (3.2 μM). The final product of the enzyme reaction was read using a Spectramax plate reader instrument (Molecular Devices, CA, US) using a fluorescent readout (Ex 360 nm/Em 460 nm). The final enzyme concentrations in the assay buffer for HDAC1 and 3 were 6 and 1.2 nM, respectively. The final Fluor de Lys® substrate concentration in the assay buffer was 16 μM for all HDAC enzymes. IC50 values were determined using the following equation:EfreeEo=100⁢(1-11+(1IC50)n)(1)Where Efree and Eo are the free and total amount of HDAC enzyme in the reaction mixture, n is the hill coefficient, I is the free inhibitor concentration, and IC50 is the measure of the potency equivalent to the inhibitor concentration that leads to a 50% occupancy of the total enzyme. Each data was generated in duplicate.
12879	1	MALT1 Protease Assay 1 (Assay 1)	MALT1 protease activity was assessed in vitro by measuring the cleavage of a fluorogenic tetrapeptide substrate.[0581]A protein (MALT1-GS-Ub) comprising 6-His-hMALT-1 (residues 339-715), fused to ubiquitin with an 8× GGS linker, was expressed in E. coli, and purified using chitin resin to remove contaminants followed by affinity chromatography purification and size-exclusion chromatography, according to standard protocols.Briefly, MALT1-GS-Ub (300-600 nM) was incubated with substrate (Ac-LVSR-AMC, 100 μM) in reaction buffer comprising 50 mM HEPES (pH7.0), 25 mM KCl, 0.1% (v/v) CHAPS and 1 mM TCEP.Test compounds dissolved in DMSO were dispensed into assay plates (384-well, black, shallow ProxiPlates). 7 μl enzyme solution was added and incubated at room temperature for 30 minutes to allow compound binding to occur. 2 μl substrate solution was then added and the fluorescence (excitation 360 nm, emission 460 nm) read every 15 minutes using a suitable plate reader. Final assay DMSO concentration was 1%. Linearity over 60 minutes was confirmed, and assay signal was calculated by subtracting raw counts at time 0 from those at 60 minutes. % inhibition was calculated for each well, using no enzyme for 100% inhibition controls and no compound for 0% inhibition controls. IC50 values were calculated using GraphPad Prism using a 4-parameter non-linear regression curve fit.
12879	2	MALT1 Protease Assay 2 (Assay 2)	MALT1 protease activity was assessed in vitro by measuring the cleavage of a fluorogenic tetrapeptide substrate.For a higher sensitivity assay, commercially available FL hMALT1 enzyme (Abcam, 1-10 nM) was incubated with substrate (Ac-LVSR-AMC, 100 μM) in reaction buffer comprising 50 mM HEPES (pH7.0), 25 mM KCl, 0.1% (v/v) CHAPS, 1 mM TCEP and 0.7 M sodium citrate.Test compounds dissolved in DMSO were dispensed into assay plates (384-well, black, shallow ProxiPlates). 7 μl enzyme solution was added and incubated at room temperature for 30 minutes to allow compound binding to occur. 2 μl substrate solution was then added and the fluorescence (excitation 360 nm, emission 460 nm) read every 15 minutes using a suitable plate reader. Final assay DMSO concentration was 1%. Linearity over 60 minutes was confirmed, and assay signal was calculated by subtracting raw counts at time 0 from those at 60 minutes. % inhibition was calculated for each well, using no enzyme for 100% inhibition controls and no compound for 0% inhibition controls. IC50 values were calculated using GraphPad Prism using a 4-parameter non-linear regression curve fit.
12880	1	Affinity Activities 	The affinity of the compound to each subtype of GABAA receptor was determined by competing for the binding of 3H-flunitrazepam to HEK293 cells stably expressing human α1β3γ2, α2β3γ2, α3β3γ2, and α5β3γ2 receptors. The radioligand competition binding assay was performed in a 200 μL system (96-well plate) containing 100 μL of cell membrane. The concentration of 3H-flunitrazepam was 1 nM and the concentration of the test compound was in the range of 1×10−5-10−6 M. Flumazenil was used as a control. 1 μL of 2 mM flumazenil (final concentration 10 M) was added to the low signal control well (Low control, LC), and 1 μL of DMSO was added to the high signal control well (High control, HC). The final concentration of target membrane protein was 5 g/well. All test compound sample storage solutions were 10 mM. The working concentration of the samples was to dilute all the samples to 0.2 mM with DMSO, followed by 4-fold serial gradient dilutions for a total of 8 concentration gradients. The 96-well plate was sealed with a sealing film, and then incubated on a shaker at room temperature for 1 hour. At the same time, the GF/C filter plate was soaked in soaking buffer (0.3% PEI, stored at 4° C.) for at least 0.5 hours. After the binding incubation was completed, the cells were collected onto a GF/C filter plate using a cell harvester. The plate was washed four times with washing buffer (50 mM Tris-HCl, pH 7.4, stored at 4° C.). After drying in a 50° C. oven for 1 hour, the bottom of the dried GF/C filter plate was sealed. The residual radioactivity on the filter membrane was detected using liquid scintillation counting. 50 μL of scintillation fluid was added to each well, and the plate was sealed. The readings were taken using a Microbeta2. The inhibitory activity of the test sample on the binding of 3H-flunitrazepam to GABAA receptor membrane proteins was calculated, and the IC50 of each test sample was calculated by dose-effect curve fitting (GraphPad Prism 5 software), and the Ki of the sample was calculated from the IC50, thus evaluating the binding ability of the sample to the various subtypes of GABAA receptors.
12881	1	Biological Assay	Compounds disclosed herein were tested for inhibition of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase in an assay based on the time-resolved fluorescence-resonance energy transfer (TR-FRET) methodology. The assay was carried out in 384-well low volume black plates in a reaction mixture containing CDK4/Cyclin D1 or CDK6/Cyclin D3, 1 mM ATP, 0.15 μM Rb (Ser780)-biotin substrate and 0-10 μM compound in buffer containing 50 mM HEPES pH7.0, 0.02% NaN3, 0.01% BSA, 0.1 mM Orthovanadate, 50 mM MgCl2, 1 mM DTT and 0.005% Tween-20. The kinase was incubated with compound for 60 minutes at room temperature and the reaction was initiated by the addition of ATP and Rb (Ser780)-biotin substrate. After reaction at room temperature for 120 minutes, an equal volume of stop/detection solution was added according to the manufacture&#39;s instruction (Cisbio Bioassays). The stop/detection solution contained Streptavidin-XL665 and Anti-pRb (Ser780) mAb-Eu Cryptate in Detection buffer (Cisbio Bioassays). Plates were incubated at room temperature for 60 minutes, and the TR-FRET signals (ex337 nm, em665 nm/620 nm) were recorded on a PHERAstar FSX plate reader (BMG Labtech). The inhibition percentage of CDK4/Cyclin D1 or CDK6/Cyclin D3 kinase activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 665 nm to that at 620 nm.
12882	1	FRET Assay	Compounds of the invention were dissolved in DMSO at a concentration of 3 mM with subsequent dilutions in assay buffer (50 mM HEPES PH7.0, 150 mM NaCl, 0.05% BSA, 0.2% Pluronic F-127) such that the assay contained 1% DMSO. In a white 384 shallow well Microplate (Proxiplate-384 Plus, PerkinElmer, 6008280), 150 nL of compound or vehicle (1% DMSO in assay buffer) for the high control (HC) wells and 5 μL of 30 nM ENL Protein (6×HIS ENL YEATS Domain, EpiCypher, 15-0069) were combined and incubated 15 minutes at RT. Low control (LC) wells received 5 μL of assay buffer instead of ENL protein. Then 5 μL of 15 nM H3K9cr peptide (H3 aa1-20, biotinylated; EpiCypher, 12-0099) in assay buffer was added and incubated 30 minutes at RT. Finally a 5 μL mix of 45 nM Anti-6HIS ULight (PerkinElmer, TRF0105) and 1.5 nM Streptavidin-Europium Chelate (PerkinElmer, AD0060) were added and incubated for a further 30 minutes at RT. The TR-FRET signal (665 nm signal/615 nm signal X 10,000) was measured using a PerkinElmer 2104 EnVision (Xenon Flash Lamp excitation, 320 nm±37.5 nm excitation filter, 407 nm cut off dichroic mirror, 615 nm±4.25 (Europium) nm and 665 nm±3.75 nM (ULight) emission filters). Compound concentration response curves were performed in duplicate over the concentration range of 0.15 nM-30 μM. The response at each compound concentration minus the LC value was converted to percent inhibition of the vehicle control group response (HC-LC). The relationship between the % inhibition and the compound concentration was analyzed using a four parameter logistic equation to estimate lower and upper asymptotes, the compound concentration producing 50% inhibition (IC50 value) and the slope at the mid-point location.
12883	1	PKMYT1 HTRF Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25 Figure US20250136596A1-20250501-P00030. Then 5 μL/well of tracer solution (Tracer 178) was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 5 μL GST-Tb was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 15 minutes at 25 Figure US20250136596A1-20250501-P00030. The assay plate was read on Envision.
12884	1	Assessing the Affinity of the Compounds of the Present Disclosure for the 5-HT2A Receptor	Method: The affinity of the compounds of the present disclosure for the 5-HT2A receptor was determined using a radioligand competitive binding assay.In the first step, a cell membrane component containing 5-HT2A receptor was prepared as follows. HEK-293T cells (ATCC, CRL-11268) in a 10-cm dish were transfected with 10 ng of 5-HT2A receptor plasmid and 40 μL of PEI. The 10-cm dish was removed from the incubator 48 hours post-transfection, a time point by which the cultured cells had expressed 5. HT2A receptor protein. The culture medium was aspirated using a vacuum pump, and 3 mL of lysis buffer was added to each dish. The cells were then placed in a cold room at 4° C. for 10 minutes. After the cells were detached, they were transferred to a 15 mL centrifuge tube and centrifuged at 1500 rpm for 5 minutes at 4° C., and the supernatant was discarded. The cell pellet was transferred to a tissue homogenizer, and 3 mL of lysis buffer was added. Sufficient grinding was applied to break the cells. The cell suspension was then equally aliquoted into several Eppendorf tubes and centrifuged at 12,000 rpm for 5 minutes at 4° C., and the supernatant was discarded. The resulting precipitate was the cell membrane component containing the 5-HT2A receptor.
12885	1	JAK2 Kinase Inhibitory Activity Assay	1) Treatment wells of the compound to be tested (T-compound): In HTRF 96 well low volume plate, 4 μL of 2.5×the compound to be tested described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 5×JAK2 to the other side of the well.DMSO control wells without the compound to be tested (T-enzyme): In HTRF 96 well low volume plate, 4 μL of 2.5×DMSO described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 5×JAK2 to the other side of the well.Enzyme-free blank control (T-without enzyme): In HTRF 96 well low volume plate, 4 μL of 2.5×DMSO described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 1×kinase buffer to the other side of the well.2) The plate was sealed with a plate sealing film, placed into a centrifuge, and centrifuged at 1000 rpm for 2 minutes.3) 2 μL of 5×ATP was added into each well, and the plate was sealed with a plate sealing film, centrifuged at 1000 rpm for 1 minute, and then incubated in an incubator at 30° C. for 2 h.4) After the incubation, Streptavidin-XL665 and 1×TK-Antibody-Eu3-Cryptate described above were mixed at a ratio of 1:1, 10 μL of the mixture was added into each well, and then the plate was centrifuged at 1000 rpm for 1 minute.5) The plate was put back into the incubator and incubated for another 1 h. After the incubation, HTRF 620/665 signals were read on a multifunctional microplate reader.
12885	2	JAK3 Kinase Inhibitory Activity Assay	1) Treatment wells of the compound to be tested (T-compound): In HTRF 96 well low volume plate, 4 μL of 2.5×the compound to be tested described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 5×JAK3 to the other side of the well.DMSO control wells without the compound to be tested (T-enzyme): In HTRF 96 well low volume plate, 4 μL of 2.5×DMSO described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 5×JAK3 to the other side of the well.Enzyme-free blank control (T-without enzyme): In HTRF 96 well low volume plate, 4 μL of 2.5×DMSO described above was added to a well, followed by the addition of 2 μL of 5×substrate to one side of the well and the addition of 2 μL of 1×kinase buffer to the other side of the well.2) The plate was sealed with a plate sealing film, placed into a centrifuge, and centrifuged at 1000 rpm for 2 minutes.3) 2 μL of 5×ATP was added into each well, and the plate was sealed with a plate sealing film, centrifuged at 1000 rpm for 1 minute, and then incubated in an incubator at 30° C. for 3 h.4) After the incubation, Streptavidin-XL665 and 1×TK-Antibody-Eu3-Cryptate described above were mixed at a ratio of 1:1, 10 μL of the mixture was added into each well, and then the plate was centrifuged at 1000 rpm for 1 minute.5) The plate was put back into the incubator and incubated for another 1 h. After the incubation, HTRF 620/665 signals were read on a multifunctional microplate reader.
12886	1	Enzyme Inhibition Assay: E. coli DNA Gyrase Supercoiling Assay	E. coli gyrase supercoiling and its inhibition was assayed using a kit procured from Inpiralis (K0001) and the protocol (PMID: 2172086) was adapted with necessary modifications. The compounds to be tested were incubated for 10 minutes with 2.5 nM of E. coli DNA gyrase in a 30 μl reaction volume and 3.2% DMSO. The reactions were then started with the addition of 60 ng relaxed pBR322 plasmid DNA and continued for 45 min at 37° C. The reaction mixture contained 35 mM Tris-HCl (pH 7.5), 24 mM KCl, 1.8 mM spermidine, 4 mM MgCl2, 2 mM DTT, 6.5% (w/v) glycerol, 0.1 mg/mL BSA, and 1 mM ATP. The reaction was then stopped by addition of 0.75 μL of Proteinase K (20 mg/mL) and 3 μL of 2% SDS and further incubated at 37° C. for 30 min. This was followed by the addition of 4 μL of STEB (40% (w/v) sucrose, 100 mM Tris-HCl (pH 8), 1 mM EDTA, 0.5 mg/ml Bromophenol Blue), and the supercoiled/relaxed forms of plasmid DNA were separated by agarose gel electrophoresis. The 1% agarose gels were run for 3 h at 4V/cm in 1×TAE (40 mM Tris, 20 mM Acetic acid, 1 mM EDTA). To visualize the DNA, the gels were stained for 10 min with 0.7 μg/mL ethidium bromide and excess dye was removed by several washes with water. IC50 values were determined by quantifying the supercoiled and relaxed DNA in each of the reactions from a gel image by a densitometric method using the Quantity One Software (Bio-rad).
12886	2	Enzyme Inhibition Assay: E. coli Topo IV Decatenation	E. coli topoisomerase IV decatenation activity and its inhibition was assayed using a kit procured from Inpiralis (D4002) and the kit protocol was adapted with necessary modifications similar to the gyrase supercoiling assays. The compounds 1, 2, 3 and 4 were incubated individually for 10 minutes with 5 nM of E. coli topoisomerase IV in a 30 μl reaction volume and 3.2% DMSO. The reactions were started with the addition of 60 ng of kDNA and continued for 40 min at 37° C. The final reaction mixture contained 40 mM Tris-HCl (pH 7.6), 100 mM potassium glutamate, 10 mM magnesium acetate, 10 mM DTT, 1 mM ATP, and 50 μg/ml albumin. The reactions were stopped by addition of 0.75 μL of Proteinase K (20 mg/mL) and 3 μL of 2% SDS and further incubated at 37° C. for 30 min. This was followed by the addition of 4 μL of STEB (40% (w/v) sucrose, 100 mM Tris-HCl pH8, 1 mM EDTA, 0.5 mg/ml Bromophenol Blue) and the kDNA/minicircles forms were separated by agarose gel electrophoresis. The 1% agarose gels were run for 3 h at 4V/cm in 1×TAE (40 mM Tris, 20 mM Acetic acid, 1 mM EDTA). To visualize the DNA, the gels were stained for 10 min with 0.7 μg/mL ethidium bromide and excess dye was removed by several washes with water. IC50 values were determined by quantifying the Kinetoplast DNA band inside the gel well and decatenated minicircles that migrate into the gel in each of the reactions from a gel image by a densitometric method using the Quantity One Software (Bio-rad).
12887	1	Assay for Binding Affinity to BTK	Compounds were tested using a KdELECT assay. Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 phage and incubated with shaking at 32° C. until lysis. The lysates were centrifuged and filtered to remove cell debris. The remaining kinases were produced in HEK-293 cells and subsequently tagged with DNA for qPCR detection. Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12887	2	Assay for Binding Affinity to Androgen Receptor	Fractions of cell cytosol (106 cell/point) were incubated for 24 hr at 4° C. with 1 nM [3H]methyltrienolone in the absence or presence of the test compound in a buffer containing 25 mM Hepes-Tris (pH 7.4), 1 mM EDTA, 10 mM Na2MoO4, 2 mM DTT, 5 μM triamcinolone acetonide, and 10% glycerol. Nonspecific binding was determined in the presence of 1 μM testosterone. Following incubation, the samples were filtered rapidly under vacuum through glass fiber filters (GF/B, Packard) presoaked with 0.3% PEI and rinsed several times with ice-cold 50 mM Tris —HCl using a 96-sample cell harvester (Unifilter, Packard). The filters were dried then counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). The results are expressed as a percent inhibition of the control radioligand specific binding. The standard reference compound is testosterone, which is tested in each experiment at several concentrations to obtain a competition curve from which its IC50 is calculated.
12887	3	Assay for Binding Affinity to BRD4-BD1	Binding reactions were assembled by combining bromodomains, liganded affinity beads, and test compounds in 1×binding buffer (17% SeaBlock, 0.33×PBS, 0.04% Tween 20, 0.02% BSA, 0.004% Sodium azide, 7.4 mM DTT). Test compounds were prepared as 1000X stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with one DMSO control point. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.09%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then resuspended in elution buffer (1×PBS, 0.05% Tween 20, 2 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The bromodomain concentration in the eluates was measured by qPCR.
12887	4	Assay for Binding Affinity to BRD4-BD2	Binding reactions were assembled by combining bromodomains, liganded affinity beads, and test compounds in 1×binding buffer (17% SeaBlock, 0.33×PBS, 0.04% Tween 20, 0.02% BSA, 0.004% Sodium azide, 7.4 mM DTT). Test compounds were prepared as 1000X stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with one DMSO control point. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.09%. All reactions performed in polypropylene 384-well plates. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then resuspended in elution buffer (1×PBS, 0.05% Tween 20, 2 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The bromodomain concentration in the eluates was measured by qPCR.
12887	5	Assay for Binding Affinity to CDK1	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1×binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12887	6	Assay for Binding Affinity to CDK9	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1×binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12887	7	Assay for Inhibition of KIF11	The ATPase rate for Kif11 was monitored using an enzyme-coupled assay. Porcine brain microtubules (Cat #MT002) were purchased from Cytoskeleton (Denver, CO) and polymerized as per manufacturer's instructions and stored at 1 mg/ml at −80° C. GST-tagged Kif11/Eg5 (Cat #EG01-XL) and the Kinesin ELIPA Biochem Kit (Cat #BK060) was also purchased from Cytoskeleton. Taxol, microtubules, 7-methylthioguanosine (MESG), and purine nucleoside phosphorylase (PNP) were added to final concentrations of 15 mM, 0.05 mg/mL, 200 mM, 1U/m, 1 mM in EPLIA Reaction Buffer and allowed to incubate at room temperature for 15 minutes under rocking. Kif11 was then added at a final concentration of 0.025 mM and allowed to incubate at room temperature for an additional 15 minutes. Master mix (18.5 mL) was added to a black 384-well plate (Corning 3575), to which 0.5 mL of DMSO or compound were added to appropriate wells. Plates were incubated at room temperature for 2 hours. ATPase reactions were initiated by addition of 1 mM ATP and monitored by OD340 every 1 minute over the course of 2 hours. The rate of the reaction was taken from the linear part of the resulting curve. IC50 was determined by plotting inhibitor concentration v. ATPase rate.
12887	8	Assay for Binding Affinity to mTOR	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1×binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12887	9	Assay for Binding Affinity to PLK1	Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1×binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111X stocks in 100% DMSO. Kd values were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 mL. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM nonbiotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
12888	1	Steroid Inhibition of TBPS Binding Assay	Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogenized in 10 volumes of ice-cold 0.32 M sucrose using a glass/teflon homogenizer and centrifuged at 1500×g for 10 min at 4° C. The resultant supernatants are centrifuged at 10,000×g for 20 min at 4° C. to obtain the P2 pellets. The P2 pellets are resuspended in 200 mM NaCl/50 mM Na—K phosphate pH 7.4 buffer and centrifuged at 10,000×g for 10 min at 4° C. This washing procedure is repeated twice and the pellets are resuspended in 10 volumes of buffer. Aliquots (100 mL) of the membrane suspensions are incubated with 3 nM [35S]-TBPS and 5 mL aliquots of test drug dissolved in dimethyl sulfoxide (DMSO) (final 0.5%) in the presence of 5 mM GABA. The incubation is brought to a final volume of 1.0 mL with buffer. Nonspecific binding is determined in the presence of 2 mM unlabeled TBPS and ranged from 15 to 25%. Following a 90 min incubation at room temp, the assays are terminated by filtration through glass fiber filters (Schleicher and Schuell No. 32) using a cell harvester (Brandel) and rinsed three times with ice-cold buffer. Filter bound radioactivity is measured by liquid scintillation spectrometry. Non-linear curve fitting of the overall data for each drug averaged for each concentration is done using Prism (GraphPad). The data are fit to a partial instead of a full inhibition model if the sum of squares is significantly lower by F-test. Similarly, the data are fit to a two component instead of a one component inhibition model if the sum of squares is significantly lower by F-test. The concentration of test compound producing 50% inhibition (IC50) of specific binding and the maximal extent of inhibition (Imax) are determined for the individual experiments with the same model used for the overall data and then the means±SEM.s of the individual experiments are calculated. Picrotoxin serves as the positive control for these studies as it has been demonstrated to robustly inhibit TBPS binding.
12889	1	BTK inhibition Assay	Reagent and Procedure by Reaction Biology Corporation:Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02%. Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Required cofactors were added individually to each kinase reaction. Compound handling: testing compounds were dissolved in 100% DMSO to specific concentration. The serial dilution was conducted by Integra Viaflo Assist in DMSO.Reaction Procedure:The substrate was prepared in freshly prepared reaction buffer of above and required cofactors were added to the substrate solution. The kinase was delivered to the substrate solution and the mixture was gently mixed. Testing compounds in 100% DMSO was added to the kinase reaction mixture by Acoustic technology (Echo550; nanoliter range) and the new mixture was incubated for 20 min at room temperature. Then 33P-ATP (Specific activity 10 μCi/μl) was added to the reaction mixture to initiate the reaction and the mixture was incubated for 2 hours at room temperature. The radioactivity was detected by filter-binding method and the kinase activity data was expressed as the percent of remaining kinase activity in test sample compared to vehicle (dimethyl sulfoxide) reaction. IC50 values and curve fits were obtained using Prism (GraphPad Software).
12889	2	Enzyme-linked immunosorbent assay (ELISA) Assay	In House Procedure for BTK, BMX, EGFR and ITK.  Kinase inhibitory activities of compounds were evaluated using the Enzyme-linked immunosorbent assay (ELISA). The kinase enzyme of BTK, BMX, EGFR and ITK were purchased from Carna Bioscience (Kobe, Japan). A total of 10 ng/mL antiphosphotyrosine (PY713) antibody (abcam, Cambridge Science Park, UK) was precoated in 96-well ELISA plates. The kinase enzymes in each reaction well were set to BTK (101.25 ng/mL), BMX (90 ng/mL), EGFR (90 ng/mL) or ITK (120 ng/mL) and incubated with indicated drugs in 1× reaction buffer (50 mmol/L HEPES pH 7.4, 20 mmol/L MgCl2, 0.1 mmol/L MnCl2, 1 mmol/L DTT) containing 20 μmol/L (the final concentration of substrate in ITK reaction was 30 μmol/L) substrate (NH2-ETVYSEVRK-biotin) at 25° C. for 1 h. Then, a total of 3 μmol/L ATP was added and the reaction was continued for 2 h. The products of reaction were transferred into 96-well ELISA plates containing antibody and incubated at 25° C. for 30 min. After incubation, the wells were washed with PBS and then incubated with horseradish peroxidase (HRP)-conjugated streptavidin. The wells were visualized using 3,3′,5,5′-tetramethylbenzidine (TMB), and chromogenic reaction was ended with 2 mol/L H2SO4, the absorbance was read with a multimode plate reader (PerkinElmer, USA) at 450 nm. IC50 values and curve fits were obtained using Prism (GraphPad Software).
12890	1	Biological Assay	The inhibitory activity of compounds is determined in competitive binding assays. This spectrophotometric assay measures the binding of biotinylated human Gal-3 (hGal-3) or human Gal-1 (hGAl-1), respectively, to a microplate-adsorbed glycoprotein, asialofetuin (ASF) (Proc Natl Acad Sci USA. 2013 Mar. 26; 110(13):5052-7.). Alternatively, and preferably, a human Gal-1 version in which all six cysteines are substituted by serines may be used.Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well pates are supplemented with 22.8 μL/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 μL of compound working dilutions are added and mixed.Plates are incubated for 3 hours at 4° C. then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 μL/well of a streptavidin-peroxidases solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 μL/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
12891	1	In Vitro Inhibitory Activity Against BTK(Wt)/BTK(C481S) 	The substrate solution was prepared by adding the substrate poly(Glu, Tyr) sodium salt (Sigma Aldrich, St. Louis, MO) to the substrate reaction buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DIT and 1% DMSO)(final substrate concentration in the reaction solution was 0.2 μM). Test compound was formulated into stock solutions at 10 mM concentration with 100% DMSO, and 3-fold serial dilution for 10 doses was performed in a 384-well cyclic olefin copolymer LDV microplate. BTK(wt) or BTK(C481S) kinase (recombinant human full-length protein, histidine tag, expressed in insect cells, invitrogen, Carlsbad, CA) was added to the substrate solution and mixed gently (final BTK concentration in the reaction solution was 8 nM). Test compound in 100% DMSO was then added to the kinase reaction mixture by acoustic liquid transfer technology (Echo 550; nanoliter range) (Labcyte Inc, Sunny vale, CA) and incubated for 20 min at room temperature, 33P-ATP (specific activity 10 μCi/μL) was added to the reaction mixture to initiate the reaction, followed by incubation at room temperature for 2 h. A small portion of the reaction mixture was dropped onto P-81 ion exchange filter paper (Whatman). After washing the unbound phosphate from the filter paper with 0.75% phosphate buffer (three times) and drying, the remaining radioactivity on the filter paper was measured. The kinase activity was expressed as the percentage of the remaining, kinase activity in the test sample to the kinase activity in the vehicle (dimethyl sulfoxide) blank control. IC50 values were calculated by curve fitting the data obtained using Prism (GraphPad Software).
12892	1	ADP Glo Kinase Activity Assay	Table 3: ULK1 inhibitor potency was determined using the luminescent ADP Glo Kinase Assay (Promega), a universal ADP detection system that measures kinase activity by quantifying the amount of ADP produced during a kinase reaction. ULK1 kinase reactions are performed in a standard 96-well microplate (20 uL reaction volume) at 25° C. for 40 minutes in the presence or absence of the test compound (12-point dilution series starting at 10 uM). Addition of MBP substrate and ATP initiates the kinase reaction.The standard ADP Glo assay is performed in two steps. In step one, following the kinase reaction, an equal volume of ADP-Glo™ Reagent (20 uL) is added to terminate the kinase reaction and deplete the remaining ATP. In the second step, the Kinase Detection Reagent (10 uL) is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. Step two of the ADP Glo assay is performed in a white 384-well plate (20 uL final volume). Thirty minutes after the addition of the Detection reagent, light generated from the luciferase reaction is measured (1 second exposure) using a microplate compatible luminometer (CLARIOstar, BMG Labtech).Inhibition of ULK1 kinase activity is determined for each test compound by comparison to DMSO only control wells.
12892	2	ADP Glo Kinase Activity Assay	Table 4: ULK1 inhibitor potency was determined using the luminescent ADP Glo Kinase Assay (Promega), a universal ADP detection system that measures kinase activity by quantifying the amount of ADP produced during a kinase reaction. ULK1 kinase reactions are performed in a standard 96-well microplate (20 μL reaction volume) at 25° C. for 40 minutes in the presence or absence of the test compound (12-point dilution series starting at 10 μM). Addition of peptide substrate and ATP initiates the kinase reaction.The standard ADP Glo assay is performed in two steps. In step one, following the kinase reaction, an equal volume of ADP-Glo™ Reagent (20 μL) is added to terminate the kinase reaction and deplete the remaining ATP. In the second step, the Kinase Detection Reagent (10 μL) is added to simultaneously convert ADP to ATP and allow the newly synthesized ATP to be measured using a luciferase/luciferin reaction. Step two of the ADP Glo assay is performed in a white 384-well plate (20 μL final volume). Thirty minutes after the addition of the Detection reagent, light generated from the luciferase reaction is measured (1 second exposure) using a microplate compatible luminometer (CLARIOstar, BMG Labtech).Inhibition of ULK1 kinase activity is determined for each test compound by comparison to DMSO only control wells. Inhibitor IC50 was calculated by plotting the change in luminescence after 30 minutes (response) versus inhibitor concentration (in log molar) then applying the four-parameter variable slope curve fit (GraphPad Prism).
12893	1	Enzymatic Activity Assay	Human sialidase inhibitors may inhibit the enzymatic activity of all human sialidases, a subset of human sialidases, or one human sialidase, all in wild type form alone or also including one or more active variants. In particular, sialidase inhibitors may inhibit the enzymatic activity of at least human NEU1 alone, human NEU2 alone, human NEU3 alone, or human NEU4 alone. Enzymatic activity may be defined as inhibited if the rate measured by the Michaelis-Menten equation in an in vitro assay using a substrate with a terminal sialic acid is inhibited by at least 50%. More specifically, a human sialidase inhibitor may be a compound that inhibits the rate of at least one human sialidase by at least 50% as measured by the Michaelis-Menten equation in an in vitro assay using the fluorometric substrate 4MU-NANA [2′-(4-Methylumbelliferyl)-α-D-N-acetylneuraminic acid.
12894	1	Inhibitory Effects Against ALDH1a1 and ALDH2	ALDH Assay Protocols: 5 μl of enzyme (150 nM for ALDH1a1 and 200 nM for ALDH2 in reaction buffer) were delivered to assay wells in corning black, 384 well plate. 5 μl of reaction buffer was delivered to ‘no enzyme’ background control wells. Test compounds were prepared in 100% DMSO by serial dilution in 100× of assay concentration. After adding the test compounds, reaction plate was centrifuged briefly in 1200 rpm, then incubated for 20 min at room temperature, to pre-incubate enzyme and compounds. 5 μl of substrate solution (reaction buffer containing 250 μM Acetaldehyde, 500 μM NAD+ for ALDH1a1 and 100 μM Acetaldehyde, 500 μM NAD+ in the for ALDH2) were then delivered to assay wells. Reaction plate was briefly centrifuged and sealed with a plastic film to limit evaporation. After incubation at room temperature for 60 min, 10 μl of detection reagent (15 μg/ml diaphorase, 30 μM resazurin prepared in the degassed reaction buffer) was added. Reaction plate was briefly centrifuged and incubated for 10 minutes at room temperature in the dark. Fluorescent signal from resorufin was measured by Perkin Elmer Envision at Ex/Em=535/590 nm.
12894	2	MAGL Enzyme Inhibition Assay	The compounds II-2a to II-2m and controls in Table II were tested in 10-dose IC50 mode, with 3-fold serial dilution at a starting concentration of 100 μM for compounds (II-2a to II-2m) and a concentration of 10 μM for JZL184 used as a positive control. The assay buffer (10 mM Tris-HCl with 1 mM EDTA, pH 7.2) was used to dilute the FAAH human recombinant enzyme (Reaction Biology Corp., Malvern, 19355, PA, USA) at a final concentration of 10 nM. The substrate, 4-nitrophenylacetate, was used as a final concentration of 250 μM. The plate was mixed for 30 s and incubated at room temperature for 30 min. The plate was read at an absorption wavelength of 405 nm to detect the release of the by-product 4-nitrophenol. The measurement of IC50 for compound II-2d was repeated in presence 10 mM of dithiothreitol to check the reversibility of the MAGL inhibition by our compounds.
12894	3	FAAH Enzyme Inhibition Assay	FAAH inhibition assay was performed using Fatty Acid Amide Hydrolase Inhibitor Screening Assay Kit (Item #10005196), Cayman (1180 E Ellsworth Rd Ann Arbor, MI, USA). The compounds were tested in 10-dose IC50 mode, with 3-fold serial dilution at a starting concentration of 100 μM for compounds (II-2a to II-2m) and a concentration of 5 μM for JZL195 used as a positive control. Manufacturer&#39;s protocol was followed to perform the assay. The assay buffer (125 mM Tri-HCl with 1 mM EDTA, pH 9.0) was used to dilute the FAAH human recombinant enzyme. AMC-Arachidonoyl amide, at a concentration of 400 μM was then used as the FAAH substrate. Samples were mixed for 30 s and incubated at 37° C. for 30 min. The fluorescent by-product AMC (7-amino-4-methylcoumarin) released by the FAAH enzyme was detected and quantified at an excitation wavelength of 355 nm and emission wavelength of 460 nm.
12896	1	Inhibitory Effect of Compounds on Cat K	Cathepsin K (CTSK, EC 3.4.22.38) is a lysosomal cysteine protease, participates in osteoclastic bone remodeling and resorption, and can further degrade collagen, gelatin and elastin. The cathepsin K inhibitor screening kit from Biovision uses the ability of the active cathepsin K to cleave a synthetic AFC-based peptide substrate to release AFC and the AFC can be easily quantified by using a fluorometer or fluorescent microplate reader. In the presence of a specific cathepsin K specific inhibitor, the cleavage of the substrate is reduced/eliminated, resulting in a reduction or complete loss of AFC fluorescence. The simple and high-throughput adaptive assay kit can be used to screen/study/characterize a potential inhibitor of the cathepsin K.Figure US20250145576A1-20250508-C00016[0223]20 μL of a buffer, a Cat K inhibitor and test compounds (1 μM and 10 μM) were added to 96-well plates to serve as an EC well, an IC well and an S well, respectively; 50 μL of a Cat K enzyme solution was added into all the wells respectively and the mixture was incubated for 10-15 min at room temperature to establish an enzyme inhibitor complex; 30 μL of a Cat K substrate solution was added into all the wells and the mixture was incubated for 30-60 min at room temperature; and the final volume of the reaction was 100 μL. At 30-60 min, two time points T1 and T2 were selected to detect fluorescence absorption values (Ex/Em=400/505 nm), the fluorescence absorption values were recorded as RFU1 and RFU2, and the inhibition rates (%) of the test compounds on the Cat K were calculated.Slope=(RFU⁢2-RFU⁢1)/(T⁢2-T⁢1)Inhibition⁢rate⁢(%)=(EC⁢slope-S⁢slope)/EC⁢slope×100
12897	1	Inhibition of PI3Kalpha Efficacy assay	The ADP-Glo™ kinase assay was used to assess the inhibition of PI3Kα with our compounds. The utilized proteins and assay reagents were obtained from the ADP-Glo™ Kinase Assay Kit (Promega). Initially, a 2 mM stock solution of the test compound (dissolved in DMSO) was serially diluted in five-fold concentrations using DMSO to obtain eight working solutions 1 (200′). Subsequently, each of the eight working solutions 1 was further diluted in a 20-fold gradient by adding 5 μL into 95 μL of ddH2O, resulting in eight working solutions 2 (10×). In a 384-well white flat-bottom plate, 2 μL of 2.5×PI3Kα kinase solution and 1 μL of working solution 2 (10×) were added to each well and mixed, followed by a 15-minute incubation at room temperature (RT). Subsequently, 2 μL of 2.5×PI and ATP solution mixture were added to each well, mixed, and incubated at RT for 60 minutes. Then, 5 μL of ADP-Glo (containing 10 mM MgCl2) reagent was added to each well, mixed, and incubated at RT for 40 minutes.Finally, 10 μL of the Kinase Detection Reagent was added to each well, mixed, and incubated at RT for 40 minutes. Luminescence values were recorded using a multi-mode microplate reader with luminescence channel settings, and the inhibitory rate was calculated using the following formula:%⁢Inhibition⁢rate=[(Negative-test⁢compound)/(Negative-Blank)]*100Data were analyzed using GraphPad Prism with log(inhibitor) vs. response—Variable Slope(four parameters) fitting calculations for IC5 values.
12897	2	Inhibition of PI3Kdelta Efficacy Assay	The ADP-Glo™ kinase assay was used to assess the inhibition of PI3Kδ with our compounds. The utilized proteins and assay reagents were obtained from the ADP-Glo™ Kinase Assay Kit (Promega). Initially, a 2 mM stock solution of the test compound (dissolved in DMSO) was serially diluted in five-fold concentrations using DMSO to obtain eight working solutions 1 (200×) Subsequently, each of the eight working solutions 1 was further diluted in a 20-fold gradient by adding 5 μL into 95 μL of ddH2O, resulting in eight working solutions 2 (10×). In a 384-well white flat-bottom plate, 2 μL of 2.5×PI3Kδ kinase solution and 1 μL of working solution 2 (10×) were added to each well and mixed, followed by a 15-minute incubation at room temperature (RT). Subsequently, 2 μL of 2.5×PI and ATP solution mixture were added to each well, mixed, and incubated at RT for 60 minutes. Then, 5 μL of ADP-Glo (containing 10 mM MgCl2) reagent was added to each well, mixed, and incubated at RT for 40 minutes. Finally, 10 μL of the Kinase Detection Reagent was added to each well, mixed, and incubated at RT for 40 minutes. Luminescence values were recorded using a multi-mode microplate reader with luminescence channel settings, and the inhibitory rate was calculated using the following formula:%⁢Inhibition⁢rate=[(Negative-test⁢compound)/(Negative-Blank)]*100Data were analyzed using GraphPad Prism with log(inhibitor) vs. response—Variable Slope(four parameters) fitting calculations for IC50 values. 
12897	3	HTRF KRASG12C/SOS1 Binding Assay	The HTRF KRASG12C/SOS1 Binding Assay was used to measure the interaction between KRASG12C and SOS1 proteins, and evaluate the enzymatic activity of compounds against KRASG12C. The utilized proteins and assay reagents were obtained from the KRASG12C-SOS1 binding assay kits (Cisbio). Initially, a 2 mM stock solution of the test compound (dissolved in DMSO) was serially diluted in five-fold concentrations using DMSO to obtain eight working solutions 1 (200×). Subsequently, each of the eight working solutions 1 was further diluted in a 20-fold gradient by adding 5 μL into 95 μL of Diluent buffer, mixed completely with vortex mixer, resulting in eight working solutions 2 (10×). In a 384-well white flat-bottom plate, 4 μL of Tag2-KRASG12C solution, 2 μL of working solution 2 (10×) and 4 μL of Tag1-SOS1 solution were sequentially added to each well and mixed, followed by a 15-minute incubation at room temperature (RT). Subsequently, 5 μL of Anti-tag 1-Tb3+ stock solution and 5 μL of Anti-tag2-XL665 were added to each well, mixed, and incubated at 4° C. for 3 hours. Remove the plate and read on an HTRF® compatible reader, with the excitation light wavelength set at 337 nm and readings recorded at 620 nm and 665 nm. The data results were presented as the ratio of the 665 nm signal value to the 620 nm signal value for each well, calculated as follows: Ratio=104/(665 nm signal value)/(620 nm signal value). The inhibition rate was calculated using the following formula:%⁢Inhibition⁢rate=
[(Rationegative-Ratiocompound)/(Rationegative-RatioBlank)]×100Data were analyzed using GraphPad Prism with log (inhibitor) vs. response-Variable Slope (four parameters) fitting calculations for IC50 values.
12898	1	Inhibition of c-Kit, PDGFRα, PDGFRβ, CSFIR and FLT3 Kinase Activity Assay	On the day of the assay, compounds were solubilized in DMSO and dispensed into a 384-well white Opti-plate (PerkinElmer, catalog #6007290) to generate a 22 point 1:2 titration. Enzyme solution was prepared for each of the tyrosine kinases in 50 mM HEPES, pH 7.4, 5 mM MgCl2 for c-Kit or 10 mM MgCl2 for FLT3, CSFIR, PDGFRa and PDGFRβ, 2 mM MnCl2, 0.01% Brij-35 and 0.01% BSA. Working enzyme concentrations were prepared for c-Kit at 2 nM (2×), PDGFRa and PDGFRß at 10 nM (2×), CSFIR at 2 nM (2×) and FLT3 at 0.4 nM (2×). Five microliters of enzyme dilution of each tyrosine kinase were added to their respective 384-well white Opti-plate pre-dispensed with compound and allowed to incubate for 1 h at rt. Utilizing the same enzyme buffer recipe, 2x substrate mixes were prepared for each enzyme as follows: For c-Kit, 1.6 μM (2×) TK substrate and 16 μM (2×) ATP (Promega, catalog #V915). For PDGFRα, 3.2 μM TK substrate and 1 μM ATP. For PDGFRβ, 3.2 μM TK substrate and 40 μM ATP. For CSFIR, 3.2 M TK substrate and 20 μM ATP. For FLT3, 3.2 μM TK substrate and 100 μM ATP. Reactions were initiated by addition of 5 μL of the respective 2x substrate mix to each well of the plates containing the respective tyrosine kinase enzymes and were allowed to proceed for 120 minutes at rt, except for FLT3, the reaction time is 45 min. Following the reaction, 10 μL of detection mix consisting of 0.2 μM (2×) of Streptavidin-XL665 and 2 μM (2×) of TK-Antibody-Cryptate prepared in detection buffer (Part 62SDBRDF of KinEASE assay kit) was added and then allowed to incubate for 60 min. The TR-FRET signal was quantified by measuring the ratio of emission at 665 nm to 620 nm after excitation at 320 nm by reading on a PerkinElmer Envision multimode reader. Compound potencies (IC50 values) were determined using a standard 4-parameter non-linear regression fit.
12899	1	KHK-C ADP-Glo Kinase Inhibitory Activity Assay	I. Experimental Procedures:1) The compounds were transferred to a 384 reaction plates (PE, 6007290) with Echo (Labcyte, 550);2) After centrifugation, a KHK—C buffer containing 1 nM KHK—C(Origene, TP323488) was added, and incubation was conducted for 15 min at 25° C.;3) A substrate mixture containing 200 μM D-Fructose (Sigma, F2543) and 100 μM ATP was then added, and incubation was conducted for 60 min at 25° C.;4) 10 μL of ADP-Glo (Promega, V9102) was added, incubation was continued for 60 mn, then 20 μL of Detection solution was added;5) After the incubation was continued for 60 min, the luminescence value was read with the Envision multifunctional microplate reader; and6) Finally, the IC50 (median inhibitory concentration) of each compound was obtained using the nonlinear fitting formula by means of the XLFIT software.Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((LogIC50−X)×HillSlope))X: Log value of compound concentrationY: Inhibition ratio (%)Inhibition⁢ratio⁢(%)=(Mean⁢value⁢of⁢negative⁢control-Reading⁢of⁢compound)(Mean⁢value⁢of⁢negative⁢control-Mean⁢value⁢of⁢positive⁢control)*100⁢%Negative control: DMSO
12900	1	PKMYT1 HTRF Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of tracer solution (Tracer 178) was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 5 μL GST-Tb was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 15 minutes at 25° C. The assay plate was read on Envision.
12900	2	WEE1 ADP-Glo Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of substrate solution was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 10 μL kinase detection reagent was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 60 minutes at 25° C. The assay plate was read on Envision for US LUM as RLU.
12901	1	Evaluation of TTK Activity Inhibitory Assay	A recombinant human TTK protein was mixed with the compound in a reaction solution (8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL MBP, 10 mM Magnesium acetate, 45 uM) and then reacted at room temperature for 40 minutes. After that, the reaction was terminated by adding phosphoric acid to a concentration of 0.5%, and 10 of the reaction solution was dropped onto a P30 filter. The resultant filter was washed four times with a 0.425% phosphoric acid solution, each wash lasting for 4 minutes, and then washed with methanol once more, and dried. The activity of TTK was measured through scintillation counting. The activity value from the group with no compound was set as 100% of control, and the degree of TTK inhibition by the compound was calculated.
12902	1	In-Vitro Inhibition of CDK Kinase Activity Assay	This experiment was used for determining the inhibition of the activities of CDK2, CDK7, CDK9 and CDK12 kinases by the compound. The kinase reaction carried out by the present invention was measured in a 384-well plate, the final measured volume was 16 μl, and the reaction temperature was 27° C. The concentrations of the kinases were determined by optimization experiment. The specific experimental process was as follows:1) preparation of kinase solutions:kinase solution (CDK2/Cyclin E1): the kinase was diluted in a assay buffer solution ((20 mM MES pH 6.75, 0.01% Tween 20, 0.05 mg/mL BSA, 2 mM MgCl2) to obtain an enzyme solution with the corresponding 2.4× concentration;kinase solution (CDK7/Cyclin H/MAT1): the kinase was diluted in the assay buffer solution (20 mM MES pH 6.75, 0.01% Tween 20, 0.05 mg/mL BSA, 6 mM MgCl2) to obtain an enzyme solution with the corresponding 2.4× concentration;kinase solution (CDK9/Cyclin T1): the kinase was diluted in the assay buffer solution (20 mM MES pH 6.75, 0.01% Tween 20, 0.05 mg/mL BSA, 10 mM MgCl2) to obtain an enzyme solution with the corresponding 2.4× concentration; andkinase solution (CDK12/Cyclin K): the kinase was diluted in a assay buffer solution (80 mM MES pH 6.5, 0.01% Tween 20, 0.05 mg/mL BSA, 10 mM MgCl2) to obtain an enzyme solution with the corresponding 2.4× concentration.2) Preparation of compound solutions: the compound was dissolved in dimethyl sulfoxide (DMSO) at a concentration of 10 mM, the compound was diluted to 10 concentration gradients of 25 nM to 500 μM with DMSO during use, diluted in ultrapure water by 8.3 times respectively to obtain compound solutions with 6× concentration.3) Preparation of a polypeptide substrate and ATP solution: the polypeptide substrate and ATP were diluted in the assay buffer solution to obtain a polypeptide substrate and ATP mixed solution with 2.4× concentration.4) Kinase reaction process:2 ul of the test compound solution, 5 ul of the polypeptide substrate and ATP mixed solution and 5 ul of an enzyme solution were mixed and incubated at 27° C. (CDK2 was incubated for 60 min, CDK7 was incubated for 70 min, CDK9 was incubated for 70 min, and CDK12 was incubated for 280 min), and then 4 ul of EDTA with a concentration of 150 mM was added into each sample to terminate the reaction. The assay buffer solution containing 20 μM of staurosporine was used for replacing the compound solution as 100% inhibition, and DMSO was used for replacing the compound solution as 0% inhibition. Each test had at least two parallel controls. Final concentration of a reagent in CDK2 assay: ATP was 100 μM, the polypeptide substrate (5-FAM-YSPTSPSYSPTSPSYSPT SPSKKKK) was 2 μM, and CDK2/Cyclin E1 was 0.5 nM; final concentration of a reagent in CDK7 assay: ATP was 50 μM, the polypeptide substrate (5-FAM-YSPTSPSYSPTSPSYSPT SPSKKKK) was 2 μM, and CDK7/Cyclin H/MAT1 was 3 nM; final concentration of a reagent in CDK9 assay: ATP was 50 μM, the polypeptide substrate (FITC-Ahx-GSRTPMY-NH2) was 2 μM, and CDK9/Cyclin T1 was 8 nM; and final concentration of a reagent in CDK12 assay: ATP was 30 μM, the polypeptide substrate (FITC-Ahx-GSRTPMY-NH2) was 2 μM, and CDK12/Cyclin K was 50 nM.5) Data calculation and analysis: electrophoretic separation was carried out on a fluorescent substrate and a phosphorylated product on a Caliper EZ Reader II to analyze a reaction mixture. The data was calculated with GraphPad Prism version 9.0, and an IC50 value was obtained by adjusting a nonlinear regression model using a dose reaction curve. The calculation formula was Y=Bottom+(Top-Bottom)/(1+10{circumflex over ( )}((LogIC50−X)*HillSlope)). X represents a log value (log of dose or concentration); Y represents an inhibition rate (% inhibition, increasing as x increases) which was increased along with the increase of X; Top represents maximum response; Bottom represents baseline response; and HillSlope represents a curve slope. Due to the limitation of the detection lower limit of a CDK7
12903	1	Enzymatic Assay	PDE1B inhibition was determined by an IMAP TR-FRET assay. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time.Into each well of a solid white 1536 well plate (Corning) was dispensed 250 pg full-length recombinant NH-terminal GST tagged human PDE1B enzyme (BPS Bioscience Cat #60011, San Diego, CA) in 2.5 μL IMAP BSA reaction buffer (Molecular Devices, Sunnyvale, CA) containing 10 U/ml Calmodulin and 2.5 mM CaCl2) (Sigma Aldrich.) After a brief centrifugation, 30 nL of compound was added by transfer from 1 mM stock in DMSO using a Kalypsys 1536 Pintool. Plates were incubated for 5 minutes at room temperature before dispensing 1.5 μL of 533 nM 5-carboxy fluorescein (FAM)-labeled cAMP (Molecular Devices, Sunnyvale, CA) for a final concentration of 200 nM. After a brief centrifugation, the plates were incubated for 30 minutes at room temperature. The assay was terminated by adding 5 μL IMAP binding reagent/Tb complex (Molecular Devices, Sunnyvale, CA) to each well.Plates were incubated for 1 hour at room temperature and were read on a Viewlux multimode plate reader (Perkin Elmer). The instrument was set to excite using the DUG11 filter and measure using 490/10 nm and 520/10 nm filters. Ratios of acceptor and donor were then calculated.
12904	1	USP9X Enzyme Activity Assay	1. Test Steps1). A 1× analysis buffer was formulated, consisting of a modified Tris buffer (pH 7.5).2). Compound solutions of different concentrations were formulated with final concentrations of 3,000/1,000/300/100/30/10/3/1 nM (containing 1% DMSO), and added into a 384-well plate.3). A USP9X enzyme solution was formulated with the 1× analysis buffer.4). 10 μL of the USP9X enzyme solution was added into the 384-well plate, and incubated with the compounds at room temperature for 1 h.5). Rhodamine 110 Protein was added into the 1× analysis buffer to formulate a substrate working solution.6). 10 μL of the substrate solution was added into each reaction well, centrifuged for 30 s, and mixed uniformly for 30 s.7). The 384-well plate was placed on a microplate reader for detection, with an excitation wavelength of 480 nm and an emission wavelength of 540 nm. Test was conducted for 30 minutes and the data was collected.8. Fitting the dose-effect curve.Percentage⁢inhibition⁢rate⁢Inh⁢%=(Max-Signal)/(Max-Min)*10⁢0.
12905	1	KAT6A Enzyme Activity Assay	a. The prepared enzyme solution was added to a 384-well plate at 3 μL/well, and 3 μL of 1× assay buffer was added to each well in columns 23 and 24 (Min).b. 3 μL of compound solution was added to each well, and 3 μL of buffer was added to each Min well; 3 μL of DMSO solution was added to each well in columns 1 and 2 (Max) as controls. The plate was centrifuged, shaken for 2 min, and incubated at room temperature for 15 min.c. The mixed substrate of Ac-CoA and H3 was added at 6 μL/well, and the plate was centrifuged, shaken for 2 min, and incubated at room temperature for 20 min.d. The assay reagent was added at 6 μL/well, and the plate was centrifuged, shaken for 2 min, and incubated in the dark at room temperature for 120 min.e. Plate reading was performed on the microplate reader, and AlphaScreen counts were recorded.f. Plotting was performed using the Graphpad software, and the IC50 values of the compounds were calculated.
12905	2	KAT6B Enzyme Activity Assay	a. 1× buffer 2: 50 mM Tris-HCl, pH 7.8; 0.1 mM EDTA; 0.01% v/v tween-20; 1 mM DTT; 0.01% m/v bovine serum albumin.b. KAT6B enzyme solution: 3 nM (final concentration), prepared in buffer 2.c. Mixed substrate of Ac-CoA and H3: a mixed substrate of 30 nM (final concentration) Ac-CoA and 30 nM (final concentration) H3, prepared in buffer 2.d. Compounds: initial concentration of 10 mM, 4-fold dilution, 10 gradient concentrations. All compound concentrations were diluted 2500-fold with buffer 2 for later use.e. Assay reagent: 8 ng/μL (final concentration) AlphaScreen protein A acceptor beads, 8 ng/μL AlphaScreen streptavidin donor beads, 1:1000 diluted acetylated-lysine antibody, and 100 μM anacardic acid; prepared in buffer 2.
12906	1	PIKfyve Biochemical Assay	The biochemical PIKfyve inhibition assays were run by Carna Biosciences according to proprietary methodology based on the Promega ADP-Glo™ Kinase assay. A full-length human PIKFYVE [1-2098(end) amino acids and S696N, L932S, Q995L, T998S, S1033A and Q1183K of the protein having the sequence set forth in NCBI Reference Sequence No. NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKFYVE was purified by using glutathione sepharose chromatography and used in an ADP-Glo™ Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4× final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADP-Glo™ reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 μM to 3 nM. Data was analyzed by setting the control wells (+PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration vs % inhibition curves by fitting to a four-parameter logistic curve.
12895	1	In Vitro Activity Assay	Table 1: Experimental materials: target protein RORγ with the final concentration of 200 nM; experimental buffer (10×) MOPS (500 mM) PH 7.4, CHAPS (0.5 mM), NaF (500 mM), andBSA (1 mg/ml); donor microbeads in the kit with the final concentration of 5 μg/mL, and acceptor microbeads with the final concentration of 5 μg/mL; co-agonist of RORγ, short peptide bSRC1-4(Biotin-QKPTSGPQTPQAQQKSLLQQLLTE), with the final concentration of 50 nM. 150 μL of reaction system: RORγ 15 μL, experimental buffer 15 μL, deionized water 60 μL, small molecule compound 15 μL, donor microbeads 15 μL, and acceptor microbeads 15 μL; positive inhibitors T0901317 and UA.Experimental method: The protein, co-agonist (b-SRC1-4), 10× AlphaScreen buffer, and ultra-pure water were prepared into a mixed solution with the final volumes of 15 μL, 15 μL, 15 μL, and 60 μL, respectively (the final concentration ratio of protein to co-agonist is 200:50 nM). 105 μL of the mixed solution was added to each sample to be tested in a 96-well transparent plate. If the single-point inhibition rate of the compound was tested, the compound was diluted to the final concentration of 50 μM, and 15 μL of the diluted compound was added to each sample. If the IC50 value of the compound was tested, the compound was doubling diluted (to 200 to 0.075 μM), and 15 μL of the diluted compound was added to each sample (generally, in order to save manpower and material resources, a batch of new compounds were subjected to single-point preliminary screening, and then compounds with an inhibition rate of about 50% were tested for IC50 curves). The donor microbeads and acceptor microbeads in the final concentration of 5000 g/mL should be prepared to 5 g/mL, and in the green light environment, 30 μL of the mixed solution of the two microbeads was added to each well. The mixture was centrifuged at room temperature at 1000 rpm for 1 minute to make the system fully mixed. After being wrapped in tin foil, the mixture was incubated in the dark for 1.5 hours. After that, the mixture was transferred to a 384-well white opaque plate and put into an EnSpire Alpha 2390 multifunctional microplate reader to detect the inhibitory activity of the compound.
12895	2	Isothermal Titration Calorimetry	Table 5: Experimental materials: the instrument for detecting heat change: ITC200 (Microcal, produced by GE Healthcare Company); buffer solution used by the dilution reagent: 50 mM of HEPES, 150 mM of NaCl, 0.5 mM of TCEP, and pH 7.5.Experimental method: All experiments were performed at 25° C. while the ITC buffer (50 mM of HEPES, 150 mM of NaCl, 0.5 mM of TCEP, and pH 7.5) was stirred at 1000 rpm. The titration of RORγ injection protein of all ligands was performed at an initial injection of 0.5 μL, followed by 20 identical 2 μL phase injections, with each injection lasting 4 seconds, at an injection interval of 180 seconds. The stock solutions of ligands and RORγ ligand protein were diluted with the ITC buffer to a concentration of 30 μM for the compounds and a concentration of 300 μM for the protein before titration. The final concentration of DMSO in the reaction buffer was less than 0.25% of the total volume.
12907	1	In Vitro Enzyme Assay	Human TGFβl R-1 inhibition experiments were carried out in a white 384-microplate low flange (Corning 3572) with ADP-Glo kinase Assay Kit (Promega V9101) and TGβR-1 Kinase Enzyme System (Promega V4092). Test compounds and standard Galunisertib (Cayman 15312), 50 ng/well TGFβR-1 kinase and 50 μM ATP were added in a final volumen of 10 μL/well, using Reaction buffer supplied by kit as assay buffer. The reaction mixture was incubated in gentle shaking for 120 min at RT, after incubation of 10 μL of ADP-Glo Reagent was added and incubated in gentle shaking for 40 min at RT. 20 μL of Kinase Detection Reagent was added and plate was incubated in gentle shaking for 30 min at RT. Luminiscence (1000 ms) was measured in Perkin Elmer EnSpire Multimode plate reader.
12908	1	JAK3 Enzyme Activity Assay	The ability of candidate compounds to interact with JAK3 is quantitated by a mobility shift assay using an LC3000 instrument developed by Caliper Life Sciences. This assay is based on mobility shift electrophoresis, in which fluorescently labelled product and fluorescently labelled substrate peaks are separated and detected independently. JAK3 product/substrate separation is obtained using the following instrument settings: Pressure=−1.4 psi, Downstream voltage=−2550V and Upstream voltage=−800V. The inhibitory potency of candidate compounds of JAK3 is measured in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween-20, and 2% DMSO in the presence of 2.5 nM JAK3 (Life Technologies Catalog #PV3855), 1 mM SRCtide (Anaspec Catalog #AS-64106) and 16 mM ATP (Km level) using a 384-well plate format. Background signal is defined in the absence of enzyme and uninhibited signal is defined in the presence of vehicle (2% DMSO) alone. Compounds were evaluated in an 11 point dose-response ranging from 20 mM to 0.34 nM. IC50 values of compounds are determined using a 4 parameter logistical fit of emission ratio as a function of the concentration of compound.
12909	1	TR-FRET (time-resolved fluorescence resonance energy transfer) Assay	TR-FRET (time-resolved fluorescence resonance energy transfer) method was used to detect the inhibitory activity of the compounds on FGFR1, FGFR2, FGFR3, FGFR4, and FGFR2 V564F kinase region fragments. The highest detection concentration of the compounds in 5 kinase experiments was 1000 nM, which was diluted in 3 folds, with a total of 11 concentrations (1000 nM to 0.017 nM). A kinase buffer (50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, and 0.01% Tween-20) was used to prepare 4× enzyme solution, 4× compound solutions diluted in gradient, and a 2×ATP/Peptide substrate solution. To a 384-well plate, 2.5 μL of enzyme solution and 2.5 μL of diluted 5× compound solution were added, and 5 μL of 2×ATP/Peptide substrate solution was then added. After reacting at room temperature for 60 minutes for FGFR1, FGFR2, FGFR3, and FGFR2 V564F kinases, and 120 minutes for FGFR4 kinase, 10 μL of a 2× termination and detection mixed liquid prepared with 1×LANCE detection buffer with an EDTA concentration of 20 mM and a Europium-anti-phosphotyrosine (PT66) concentration of 2 nM was added to each well of the plate. After reacting at room temperature for 60 minutes for FGFR1, FGFR2, FGFR3, and FGFR4, and 30 minutes for FGFR2 V564F, the fluorescence signal value in each well of the plate was measured by a microplate reader.
12910	1	Inhibitory Activity on BTK(WT)	The Assay Buffer was prepared, and the composition of the Assay Buffer was 50 mM Hepes (Gibco, 15630), 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, and 0.010% Tween 20. BTK(WT) kinase (Life, PR5442A), ATP (Sigma, A7699), and ULight-poly GT (PE, TRF0100-M) working solutions were prepared using the Assay Buffer. EDTA and Eu-labeled anti-phosphotyrosine (PT66) antibody (PE, AD0069) working solutions were prepared using the Detection Buffer (PE, CR97-100). 6 μL of BTK(WT) kinase at the corresponding concentration (final concentration: 0.003 ng/L) was added to the compound groups and the control group, while 6 μL of the Assay Buffer was added to the blank group, and then the compounds (with the concentration set to 1000 nM at the maximum, 4-fold dilution, 7 concentration gradients) were each added using a nanoliter pipettor. The mixture was incubated at room temperature for 30 min, and then 4 μL of the mixture of ATP (final concentration: 10 μM) and ULight-poly GT (final concentration: 100 nM) was added. After incubation at room temperature for 2 h, 5 μL of EDTA (final concentration: 10 mM) was added to stop the reaction, and finally 5 μL of antibody (final concentration: 2 nM) was added. After incubation at room temperature for 1 h, signal values were detected at 665/615 nM, the four-parameter analysis was performed, the dose-response curves were fit, and IC50 was calculated.
12910	2	Inhibitory Activity on BTK(C481S)	The Assay Buffer was prepared, and the composition of the Assay Buffer was 50 mM Hepes (Gibco, 15630), 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, and 0.010% Tween 20. BTK(C481S) kinase (Carna Biosciences, 08-547), ATP (Sigma, A7699), and ULight-poly GT (PE, TRF0100-M) working solutions were prepared using the Assay Buffer. EDTA and Eu-labeled anti-phosphotyrosine (PT66) antibody (PE, AD0069) working solutions were prepared using the Detection Buffer. 6 μL of BTK(C481S) kinase at the corresponding concentration (final concentration: 0.005 ng/μL) was added to the compound groups and the control group, while 6 μL of the Assay Buffer was added to the blank group, and then the compounds (with the concentration set to 1000 nM at the maximum, 4-fold dilution, 7 concentration gradients) were added using a nanoliter pipettor. The mixture was incubated at room temperature for 30 min, and then 4 μL of the mixture of ATP (final concentration: 10 μM) and ULight-poly GT (final concentration: 100 nM) was added. After incubation at room temperature for 2 h, 5 μL of EDTA (final concentration: 10 mM) was added to stop the reaction, and finally 5 μL of antibody (final concentration: 2 nM) was added. After incubation at room temperature for 1 h, signal values were detected at 665/615 nM, the four-parameter analysis was performed, the dose-response curves were fit, and IC50 was calculated.
12910	3	Inhibitory activity on EGFR	The Assay Buffer was prepared, and the composition of the Assay Buffer was 50 mM Hepes (Gibco, 15630), 10 mM MgCl2, 2 mM DTT, 1 mM EGTA, and 0.010% Tween 20. EGFR kinase (Carna, 08-115), ATP (Sigma, A7699), and ULight-poly GT (PE, TRF0100-M) working solutions were prepared using the Assay Buffer. EDTA and Eu-labeled anti-phosphotyrosine (PT66) antibody (PE, AD0069) working solutions were prepared using the Detection Buffer. 6 μL of EGFR kinase at the corresponding concentration (final concentration: 0.006 ng/μL) was added to the compound groups and the control group, while 6 μL of the Assay Buffer was added to the blank group, and then the compounds (with the concentration set to 1000 nM at the maximum, 4-fold dilution, 7 concentration gradients) were added using a nanoliter pipettor. The mixture was incubated at room temperature for 30 min, and then 4 μL of the mixture of ATP (final concentration: 5 μM) and ULight-poly GT (final concentration: 100 nM) was added. After incubation at room temperature for 2 h, 5 μL of EDTA (final concentration: 10 mM) was added to stop the reaction, and finally 5 μL of antibody (final concentration: 2 nM) was added. After incubation at room temperature for 1 h, signal values were detected at 665/615 nM, the four-parameter analysis was performed, the dose-response curves were fit, and IC50 was calculated.
12911	1	Assay of Inhibitory Effect on Cardiac yosin ATPase acAtivity	a) 250 μL of ice-cold PM12 buffer was added to 250 μg of S1 myosin to a protein concentration of 1 mg/mL.b) The reagents were successively added in the following order and mixed to give a reaction mixture:400 μL of PM12,400 μL of 5× MSEG (from the ATPase assay biochem kit),1200 μL of actin/cardiac tropomyosin/troponin complex,40 μL of myosin S1,40 μL of 100× PNP (from the ATPase assay biochem kit),10.4 μL of 100 mM ATP.c) 10 μL of 440 μM CaCl2 solution was added to the 96-well plate, and the plate was placed in a 37° C. incubator to pre-warm.d) 100 μL of the reaction mixture was added to the 96-well plate, and the plate was centrifuged at 1000 rpm for 10 seconds.e) The plate was read continuously for 10 min with a 30 seconds interval on a SpectraMax 340PC, with an instrument temperature of 37° C. and a wavelength of 360 nm.
12912	1	Enzyme-Coupled Assay	Enzyme activity was assayed at 37° C. in 50 μL reaction mixtures containing 100 nM IP6K1 or IP6K2, or 200 nM IP6K3, and unless otherwise indicated, 5.0 μM human Dipp1,45 20 mM HEPES (pH 7.2), 100 mM KCl, 3.5 mM MgCl2, 20 μM EDTA, 25 μM InsP6 and 500 μM ATP for 60-120 min. Pi release was determined with a malachite green colorimetric assay.45 Where indicated, TNP (Cayman Chemical) was added to the assays.
12913	1	Inhibitory Activity Against SARS-COV-2 3CL Protease	200 nL of 3-fold serially diluted compound (final concentration: 10 μM-0.5 nM) was incubated with 10 μL of 200 nM recombinant 3CL protease (BPS Kit) at room temperature for 30 min. To initiate the reaction, 10 μL of 100 μM fluorescent substrate was added to the reaction plate. Fluorescence signal readings (Ex360/Em460) were taken every 1 minute using Envision (Perkin Elmer) in a continuous reading mode. Fluorescence values were collected over 60 min to calculate the Slope. The inhibition rate of the compound was calculated using the substrate wells as the 100% inhibition control and the enzyme reaction wells as the 0% inhibition control. IC50 was calculated using IDBS XLfit.
12914	1	Inhibitory Activity Assay	A compound serially diluted with DMSO was mixed with a FAK recombinant protein. After the mixture was left to stand at room temperature for 10 min, a biotin-labeled TK substrate (TK) and ATP were added. After 40 min of reaction at room temperature, Sa-XL 665 and a Crytate-labeled TK antibody were added. After 1 h of incubation at room temperature, the fluorescence intensities at 615 nm and 665 nm were measured. The ratio of the fluorescence intensities at 665 nm and 615 nm was calculated. The inhibition percentage and IC50 of the compound were calculated compared to the DMSO control group. 
12915	1	Biochemical Assay	Compounds disclosed herein were tested for blocking of human IL-17A (Cat: C774, novoprotein) protein with its receptor human IL-17RA (Cat: C153, novoprotein) in an assay based on Homogeneous Time Resolved Fluorescence. 0.4 nM recombinant human IL-17A protein was pre-incubated with a serial dilution of compounds disclosed herein (maximum concentration is 10 uM, 2.7-fold serially diluted, 10 points) at room temperature for 3 hours in an assay buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 0.1% BSA, 0.2 mM DTT, 0.005% Tween 20. Then 0.3 nM recombinant human IL-17RA was added to plate and further incubated at room temperature for 1 hour. After that Mab Anti-6His Tb cryptate Gold (Cat: 61HI2TLB, Cisbio Bioassays) and MAb Anti Human IgG-XL665 (Cat: 61HFCXLB, Cisbio Bioassays) were added to plate and further incubated at room temperature for 1 hour. The HTRF signals (ex337 nm, em620 nm/665 nm) were read on BMG PHERAstar FSX instrument. The inhibition percentage of human IL-17A interaction with its receptor human IL-17RA in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 620 nm to that at 665 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Dotmatics.
12916	1	TRPA1 Inhibitor Activity Assay	The cells were bathed in an extracellular solution containing 80 mM NaCl, 60 mM NMDG, 4 mM KCl, 2 mM CaCl2), 6 mM MgCl2, 5 mM Glucose, 10 mM HEPES, 3 mM HEDTA; pH adjusted to 7.4 with NaOH; 305-310 mOsm. All compounds were dissolved in DMSO at 30 mM. The internal solution contained 10 mM CsCl, 110 mM CsF, 10 mM NaCl, 10 mM EGTA, 10 mM HEPES, 4 mM MgATP, 0.25 mM NaGTP, 4 mM BAPTA; pH adjusted to 7.2 with CsOH; 285-290 mOsm. Compound stock solutions were freshly diluted with external solution to concentrations of 3 nM, 10 nM 30 nM, 100 nM, 300 nM, 1 μM, 3 μM, 10 μM, and 30 μM. The highest content of DMSO (0.1%) was present at 30 μM.
12917	1	Biological Data of Disclosed Compounds	The capacity of compounds to inhibit SOS1 binding to KRAS-WT (wild-type) was quantified using a FRET-based protein-protein interaction assay. The assay is based on the transfer of energy between two fluorophores, a donor and an acceptor, when in close proximity. In this instance, the donor is a Europium-conjugated α-GST antibody that binds to GST-tagged KRAS-WT, and the acceptor is an XL665-conJugated α-His6 antibody that binds to His6-tagged SOS1. Binding of SOS1 to KRAS-WT results in an increased fluorescent signal at emission wavelength of 665 nm which can be detected on the EnVision plate reader. Compounds that inhibit binding will reduce the 665 nm signal emitted. Recombinant KRAS-WT protein (40 nM; Human KRAS, aal-188 recombinant protein with N-terminal GST-tag) and SOS1 protein (40 nM; Human SOS1 exchange domain, aa564-1049 with N-terminal 6His-tag) were mixed together in assay buffer (5 mM HEPES pH7.3, 150 mM NaCl, 10 mM EDTA, 5 mM MgCl2, 0.05% BSA, 0.0025% NP-40, 1 mM DTT and 100 mM KF) and incubated at room temperature with a dose response of compound in a 384-well low volume white plate and a final volume of 5 ul. After a 60 minute incubation, 5 ul of 4 nM anti-GST-Eu(K) (Cisbio, France) combined with 20 nM anti-6His-XL665 (Cisbio, France), diluted in assay buffer, was added to the plate. Following a further 4 h incubation at room temperature, time-resolved fluorescence was measured on the EnVision plate reader. DMSO (0.05%) and 10 μM reference compound were used to generate the Max and Min assay signals, respectively. Data was analyzed using a four-parameter logistic model to calculate IC50 values, with at least two independent replicates performed for each compound.
12918	1	Kinase Inhibition Assay	Kinase LRRK2 G2019S protein was derived from Carna, LRRKtide was derived from Signalchem, ATP was derived from Promega, and DMSO was derived from Sigma. All assays were performed at room temperature. The test compounds were dissolved and diluted, and then added to a 384-well plate. 2.5 μL of 2× kinase reaction buffer was added, and the mixture was centrifuged. 2.5 μL of a mixture of 2× substrate and ATP was added, and the mixture was centrifuged. 4 μL of ADP-Glo reagent was added, and the mixture was incubated at room temperature for 40 min. 8 μL of LRRKtide was added, and the mixture was incubated at room temperature for 40 min. Then, the data were read using the Envision 2104 multi-label Reader.
12919	1	LP-PLA2 SAR Assay (0.2 nM)	I. Recombinant Human Lp-PLA2 (hLp-PLA2) Enzymatic Assay Using PED6 (Invitrogen) as Substrate[0439]Recombinant hLp-PLA2 (0.2 nM final concentration) was preincubated at room temperature with compounds for 20-30 mins. Reactions were then initiated upon the addition of substrate solution containing 2 uM PED6. The resulting fluorescence intensity change was monitored kinetically for 20 mins using a Tecan Safire 2 at FLINT 480/540 or Perkin-Elmer Envision at FLINT 480/530.The pIC50 value (negative log of the IC50 value when converted to molar) results shown in Table 2 for compound 1218-39, 1218-20, 1218-20S, 1218-20R, 1218-40, 1218-4A, 1218-41B, 1109-15, 1109-14, 1109-51, 1109-52, 1109-52S, 1109-55 and 1109-55S were at least 8.72 for Enzymatic assay for 0.2 nM concentration, and at least 8.27 for Enzymatic assay for 2 nM concentration.II. Human Plasma Lp-PLA2 Assay Using 2-Thio-PAF as Substrate 8 μL human plasma was pre-incubated with compound for 30 mins at room temperature. The reaction was initiated by adding 2 μl substrate working solution, which containing 2.5 mM 2-thio-PAF (Cayman Chemical), 32 uM CPM (Invitrogen) and 3.2 mM NEM (Thermo). After 2 mins, 5 μl quench solution (5% TFA) was added to stop the reaction. Plates were then settled for 40 mins and centrifuged for 1 min at 2000 rpm. Assay plates were read for FLINT signal on Perkin-Elmer Envision (FLINT 380/485).
12919	2	LP-PLA2 SAR Assay (2 nM)	I. Recombinant Human Lp-PLA2 (hLp-PLA2) Enzymatic Assay Using PED6 (Invitrogen) as Substrate[0439]Recombinant hLp-PLA2 (2 nM final concentration) was preincubated at room temperature with compounds for 20-30 mins. Reactions were then initiated upon the addition of substrate solution containing 2 uM PED6. The resulting fluorescence intensity change was monitored kinetically for 20 mins using a Tecan Safire 2 at FLINT 480/540 or Perkin-Elmer Envision at FLINT 480/530.The pIC50 value (negative log of the IC50 value when converted to molar) results shown in Table 2 for compound 1218-39, 1218-20, 1218-20S, 1218-20R, 1218-40, 1218-4A, 1218-41B, 1109-15, 1109-14, 1109-51, 1109-52, 1109-52S, 1109-55 and 1109-55S were at least 8.72 for Enzymatic assay for 0.2 nM concentration, and at least 8.27 for Enzymatic assay for 2 nM concentration.II. Human Plasma Lp-PLA2 Assay Using 2-Thio-PAF as Substrate 8 μL human plasma was pre-incubated with compound for 30 mins at room temperature. The reaction was initiated by adding 2 μl substrate working solution, which containing 2.5 mM 2-thio-PAF (Cayman Chemical), 32 uM CPM (Invitrogen) and 3.2 mM NEM (Thermo). After 2 mins, 5 μl quench solution (5% TFA) was added to stop the reaction. Plates were then settled for 40 mins and centrifuged for 1 min at 2000 rpm. Assay plates were read for FLINT signal on Perkin-Elmer Envision (FLINT 380/485).
12920	1	15-PGDH Enzyme Activity Assay	a. A solution of pH 7.5 containing 50 mM Tris-HCl, 0.01% Tween 20 was prepared with ultrapure water as a reaction buffer;b. A 10 mM mother liquor of the compound to be tested was prepared with DMSO, and then the reaction buffer was used to dilute the mother liquor of the compound to be tested to obtain solution 1 of the compound to be tested at a concentration of 40,000 nM, and then the solution 1 of the compound to be tested was serially diluted into solutions 2-9 (or 2-12) of the compound to be tested at 9 (or 11) concentrations with a gradient difference of three-fold. 5 μL of each concentration of solutions of the compound to be tested was respectively taken and added into a 384-well plate as test wells;c. Then 5 μL of the reaction buffer was added to the blank wells of the 384-well plate as positive control and blank control wells, respectively;d. The reaction buffer was used to prepare a 15-PGDH protein solution at a concentration of 5 ng/μL, 5 μL of the 15-PGDH protein solution was taken and added to the test wells and positive control wells, and meanwhile another 5 μL of the reaction buffer was added to the blank control wells, then the plate was centrifuged at 2000 rpm for 30 seconds;e. The reaction buffer was used to prepare 5 mM β-NAD and 2 mM PGF2α, respectively, which were mixed at 1:1 by volume to obtain a substrate mixture, 10 μL of the substrate mixture was taken and added to the test wells, positive control wells and blank control wells to start the reaction;f. The fluorescence signal value (Ex/Em=340/450) of each well was detected continuously by using a multifunctional microplate reader.
12921	1	BRAF V600E Enzyme Assay	A competitive displacement assay was configured for B-Raf that monitors the amount of a fluorescently-tagged “tracer” bound to B-Raf via TR-FRET from an anti-tag Eu-labeled antibody also bound to B-Raf. For full-length FLAG-tagged B-Raf(V600E), the assay mixtures consisted of 25 mM K+HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, 1 mM DTT, 2% DMSO (from compound), 50 nM Tracer 1710 (ThermoFisher, PR9176A), 0.5 nM Eu anti-FLAG (M2)-cryptate Ab (Cisbio, 61FG2KLB) and 5 nM full-length, N-terminally FLAG-tagged B-Raf(V600E) (Origene Technologies, TP700031. Compounds were typically diluted in DMSO across an 11-point dosing range created using a 3-fold serial dilution protocol at a top dose of 10 μM. The assay was run in 384-well, polystyrene, low-volume, non-treated, white microtiter plates (Costar 4512) in a final volume of 12 μL. Low control wells included 1 μM of a potent B-Raf inhibitor as a control. The assays were incubated at ambient temperature (typically 22° C.) for 60 min and then read on a PerkinElmer EnVision microplate reader using standard TRF settings (λEx=320 nm, λEm=615 & 665 nm).
12922	1	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	The primary reaction is performed in a volume of 50 μL 1× Buffer (150 mM NaCl, 20 mM Tris 7.5, 10 mM MgCl2, 0.05% (w/v) bovine serum albumin), contained 0.25 ug/mL (2.7 nM) IDH1 wt/IDH1 R132H heterodimer, 0.3 mM alpha-ketoglutarate, 4 μM NADPH, and either 300 μM NADP (saturated) or 30 μM NADP (without saturation), and 1 uL of 50× compound in DMSO. The mixture of compound, enzyme, and cofactor is pre-incubated at room temperature for 1 hr prior to the addition of alpha-ketoglutarate. To perform the secondary reaction, 10 uL of 1× buffer containing 36 μg/ml diaphorase and 30 mM resazurin is added to the primary reaction and incubated for a further 5 minutes at 25° C. Florescence is read on a Spectramax platereader at Ex 544 Em 590. Compounds or compound dilutions are prepared in 100% DMSO concentration and diluted 1:50 into the final reaction. IDH1 wt/IDH1 R132C is assayed under similar conditions except that 1× Buffer is 50 mM K2HPO4, pH 6.5; 10 mM MgCl2; 10% glycerol; 0.03% (w/v) bovine serum albumin and final concentrations are 0.4 ug/mL (4.3 nM) IDH1 wt/IDH1 R132C heterodimer, 0.02 mM alpha-ketoglutarate, 4 uM NADPH, and either 300 μM NADP (saturated) or 30 μM NADP (without saturation). IC50s are determined.
12922	2	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132 homodimer enzyme is diluted to 0.125 μg/ml in 40 μl of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol); 1 μl of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 μl of Substrate Mix (20 μl NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 90 minutes at room temperature. The reaction is terminated with the addition of 25 μl of Detection Buffer (36 μg/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.
12922	3	In Vitro Assays for IDH1m (R132H or R132C) Inhibitors	A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme activity converting alpha-ketoglutarate to 2-hydroxyglutaric acid is measured using a NADPH depletion assay. In the assay the remaining cofactor is measured at the end of the reaction with the addition of a catalytic excess of diaphorase and resazurin, to generate a fluorescent signal in proportion to the amount of NADPH remaining. IDH1-R132H homodimer enzyme is diluted to 0.125 μg/ml in 40 μl of Assay Buffer (150 mM NaCl, 20 mM Tris-Cl pH 7.5, 10 mM MgCl2, 0.05% BSA, 2 mM b-mercaptoethanol) containing 5 μM NADPH and 37.5 μM NADP; 1 μl of test compound dilution in DMSO is added and the mixture is incubated for 60 minutes at room temperature. The reaction is started with the addition of 10 μl of Substrate Mix (20 μl NADPH, 5 mM alpha-ketoglutarate, in Assay Buffer) and the mixture is incubated for 60 minutes at room temperature. The reaction is terminated with the addition of 25 μl of Detection Buffer (36 μg/ml diaphorase, 30 mM resazurin, in 1× Assay Buffer), and is incubated for 1 minute before reading on a SpectraMax platereader at Ex544/Em590.
12923	1	Determination of 11β-HSD1 Reductase Activity	First, stock solutions of the compounds were prepared in DMSO at a concentration of 10 μM, of which serial dilutions were made in order to determine the efficacy curve.As for the recombinant 11β-HSD1 enzyme (Cayman Chemical, MI, USA; Item No. 10007815), it was prepared in Tris Buffer 20 mM EDTA 5 mM pH 6.0 (Tris buffer) at different dilutions.Initially, the enzyme concentration to be used in the assays in order to evaluate the biological activity of the compounds was determined. The Cortisol Kit product (Cisbio, MA, USA; Cat no. 62CRTPEG) was used for that purpose.The protocol consisted of preparing the reaction buffer, adding 266 nM cortisone and 333 μM NADPH in Tris buffer. Then, this reaction buffer is added to the wells of the HTRF (Homogeneous Time Resolved Fluorescence) reaction plate together with the enzyme in a 4:1 ratio respectively, and incubated for 2 hours at 37° C. In the case of the control wells, two wells with Tris buffer were added, without compounds.After the incubation time, the reagents of the Cortisol kit were added, Cortisol d2 and Cortisol cryptate in sample ratio, Cortisol d2 and cortisol cryptate 2:1:1, in a quantity according to the size of the well as indicated by the supplier (for the negative control of the kit, the cortisol d2 is replaced by the kit&#39;s reconstitution buffer). This reaction is incubated for 1 hour at room temperature in order to later read the fluorescence at 665 and 620 nm.Once the enzyme concentration to be used has been determined, the cortisol kit protocol is continued to determine the efficacy curve for the compounds. As previously done, a plate for HTRF was prepared adding to each well of the reaction buffer, the recombinant 11β-HSD1 enzyme and the compounds to be assayed in a 3:1:1 ratio, respectively. The plate was subsequently incubated at 37° C. for 2 hours.After the incubation time, the reagents of the cortisol kit, cortisol d2 and cortisol cryptate, are added, and were incubated again for 1 hour at room temperature. Finally, the fluorescence of each well was determined at 665 and 620 nm.
12924	1	15-PGDH Enzyme Inhibition Test	Test compounds and 4 nM recombinant human 15-PGDH (R&D systems) in 50 mM Tris-HCl (pH 8.0) containing 0.01% TWEEN 20 (Sigma) and 0.01% bovine gamma globulin (Sigma) were put into 384 Flat Bottom Black plates (Corning, 3820) and allowed to stand for 12 minutes at room temperature. Then, 30 μM PGE2 (Cayman chemical) and 1 mM NAD+ (Sigma) were added to start reaction. Sixty minutes after the start of reaction, signals were measured at an excitation wavelength of 340 nm and a fluorescence emission wavelength of 440 nm using Synergy 2 (BioTeck). The intensity of the fluorescent signal obtained when an assay buffer was added in place of the test compounds and NAD+ was defined as 100% and that obtained with the addition of NAD+ was defined as 0%.
12925	1	 Inhibitory Activity of the Compounds on HDAC6	Prepare a 10 mM stock solution of a compound with DMSO. Take 10 μl of stock solution and dilute with 90 μl DMSO to become a 1 mM working solution. The compound was three-fold serially diluted to total of 11 concentrations including a DMSO negative control. Add 3 μl of each concentration to 197 μl reaction buffer (20 mM Hepes pH 8.0, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.05% BSA, 0.5 mM TCEP), mix well and add 10 μl to a 384-well plate. In the final reaction system, the concentrations of the compound were 10 μM to 0.51 nM. Duplicate, and add 10 μl 3XHDAC solution (BPS, Cat. 50006, 0.3 nM) to each well, followed by incubating at 23° C. for 20 minutes. Then, add 3× substrate solution (Anaspec, Cat. 61855, 15 μM), centrifuge to mix, and incubate at 23° C. for 90 minutes. Add 30 μl trypsin/SAHA mixture (20 mM Hepes pH 8.0, 100 mM NaCl, 10 mM SAHA, 0.01 mg/ml trypsin), incubate at 23° C. for 60 minutes to terminate the reaction. Finally, read fluorescence data by Envision (390 nm excitation, 460 nm emission). A high value at 430 nm indicates high kinase activity, while low value at 430 nm indicates that the kinase activity was inhibited. Finally, analyze the data by XLfit5 software and calculate the IC50 value of the compound. Vorinostat (SAHA) was a positive reference compound.
12925	2	Inhibitory Activities of the Compounds on VEGFR2	Detect compounds on VEGFR2 (KDR) by mobility shift assay. The initial test concentration of a compound was 1000 nM, 3 times dilution, 10 concentrations, and detection in duplicate. Nintedanib (Selleckchem, Cat. S1010) was used as the positive control compound. The operation method was briefly described as follows: kinase VEGFR2 (Carna, Cat. 08-191) at the final concentration of 0.5 nM and the test compound were mixed in the Optiplate-384F well plate and incubated for 10 minutes at room temperature. Then, ATP at a final concentration of 95 μM and 3 μM Kinase substrate 22 (Gill Biochemical (glbiochem), Cat. 112393) were added. After mixing, react at room temperature for 30 minutes. Add stop detection solution to terminate the reaction and read the conversion rate with Caliper EZ ReaderlI.
12926	1	3H-THK5117 Competition Binding to Tau Fibrils In Vitro	Preparation of recombinant 0N4R Tau fibrils was performed as previously described in Morozova, O. A., Biochemistry (2013), Vol., 52(40), pages 6960-6967. Competition binding experiments to 0N4R Tau fibrils were performed by incubating increasing concentrations [10−10-10−6 M] of the Example compounds of the invention, or the known tau specific ligand PBB3 (PBB3 was synthesized as previously described in M. Maruyama, et al, Neuron 2013, 79, 1094-1108) or MK6240 (Novandi Chemistry AB), in the presence of 3 nM of the known tau ligand [3H]-THK5117 (Novandi Chemistry) and 0.2 mM 0N4R tau fibrils in binding buffer (50 mM Tris-HCl, pH 7.4, 0.1% BSA) for 1 h in the dark, and at 22° C. The incubation was terminated by filtration through a Whatman GF/B glass filter (Whatman International, Kent, UK) using a Brandel cell harvester. The filter was then washed rapidly four times with 3 mL of ice-cold wash buffer (5 mM Tris-HCl, 0.25 mM NaCl, 5% EtOH), and equilibrated for 1 h in scintillation vials containing 5 mL of Ultima Gold scintillation fluid before being analysed using a Liquid Scintillation Analyzer.
12927	1	IRAK4 Inhibition Assay	he assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 μL of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP® 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 μM; FL-IPTSPITTTYFFFKKK peptide 1.5 μM; IRAK4, 0.6 nM; and DMSO, 1.6%.
12928	1	IRAK4 Inhibition Assay	The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substrates (fluoresceinated peptide and ATP) and test compounds in assay buffer (20 mM HEPES pH 7.2, 10 mM MgCl2, 0.015% Brij 35 and 4 mM DTT). The reaction was initiated by the combination of IRAK4 with substrates and test compounds. The reaction mixture was incubated at room temperature for 60 min. and terminated by adding 45 μL of 35 mM EDTA to each sample. The reaction mixture was analyzed on the Caliper LABCHIP® 3000 (Caliper, Hopkinton, MA) by electrophoretic separation of the fluorescent substrate and phosphorylated product. Inhibition data were calculated by comparison to no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The final concentrations of reagents in the assays are ATP, 500 μM; FL-IPTSPITTTYFFFKKK peptide 1.5 μM; IRAK4, 0.6 nM; and DMSO, 1.6%.
12929	1	Human SMOX Assay	Test compounds (75 nL) dissolved in DMSO were added to a 384-well white assay plate (Greiner Bio-one, catalog #784075) using an ECHO Acoustic Dispenser (Labcyte). Each compound was serially diluted 3-fold in DMSO to prepare an 11-point dose response curve (columns 1-22). Column 23 and 24 contained 75 nL of 2 mM chlorhexidine and DMSO, respectively, to represent the 100% inhibited versus the neutral control reactions.
12929	2	Human PAOX Assay	The hPAOX assay was run and the data analyzed similarly to the hSMOX assay described above, except the reactions contained 60 pM recombinant PAOX with an N-terminal His tag expressed from sf9 insect cells and used 20 μM N-acetylspermine as the substrate.
12930	1	Tests of Compounds for Inhibiting HPK1 Kinase Activity In Vitro	The compound dilution was transferred into 384-well plate by using a pipette, afterwards, the 384-well plate was sealed and centrifuged at 1000 g for 1 min. 2-fold concentration of HPK1 solution was prepared in the kinase buffer, and then 2.5 μL of the prepared 2-fold concentration of HPK1 solution was added into the 384 wells, centrifuged at 1000 g for 30 s, and incubated for 10 min at room temperature. A mixture of 2-fold concentration of MBP and ATP was prepare in the kinase buffer, and 2.5 sL of prepared mixture of 2-fold concentration of MBP and ATP was added into the above reaction system for the reaction, centrifuged at 1000 g for 30 s, and then incubated at room temperature for 1 h, 5 μL of ADP-Glo reagent was added into the reaction system, and incubated at room temperature for 40 min. 10 μL of kinase detection reagent was added and incubated at room temperature for 40 min. Then the luminescence signals were read on an Envision 2104 plate reader.
12931	1	Neurotensin Scintillation Proximity Assay	Compound affinity was determined by measuring the displacement of [3H]-neurotensin binding to h-Sortilin in SPA format. Total volume of 40 μl in 50 mM HEPES pH 7.4 assay buffer containing 100 mM NaCl, 2.0 mM CaCl2, 0.1% BSA and 0.1% Tween-20. Compound pre-incubation for 30 minutes at room temperature with 150 nM of 6his-Sortilin before 5 nM [3H]-Neurotensin and Ni chelate imaging beads (Perkin Elmer) were added, after 6 hours the plate was read on a ViewLux with 360 s exposure time. Dose-response evaluation of compounds was performed with 8 concentrations of drugs (covering 3 decades). IC50 values were calculated by nonlinear regression using the sigmoid concentration-response (variable slope) using CDD Vault software. All values reported are average of at least 2 determinations.
12932	1	Human GLP1R cAMP Accumulation Assay	For the assay, HEK293 cells over-expressing full length human GLP-1R were utilized and the downstream cAMP accumulation was assessed as a measure of human GLP-1R stimulation. For the assay, compounds were 5-fold serially diluted in DMSO with a starting concentration of 1 μM in PP-384 microplates using an automated Bravo liquid handling platform. Diluted compounds were transferred to OptiPlates (100 nL/well) using an Echo liquid handler. HEK293/hGLP1R cells were thawed in 37° C. water-bath, washed 2 times with HBSS and re-suspended in assay buffer (HBSS+5 mM HEPES+500 μM IBMX+0.1% BSA). After the compounds were added, HEK293 cells were then seeded at 1×105 cells/well (10 μL) into the 384 OptiPlates containing diluted compounds. After centrifugation, the assay plate was incubated at 23° C. for 30 min. The reaction was terminated by adding 10 μL of lysis buffer containing D2-cAMP and a cAMP-antibody from the cyclic AMP immunoassay kit (Cisbio, Cat #62AM4PEJ). Following a one-hour incubation, assay plates were read on an EnVision plate reader at 665/615 nm. The levels of cAMP per well were calculated using a standard curve generated by GraphPad Prism. Percent activity was calculated according to the formula (% Activity=100%* (cAMP level-LC)/(HC-LC)). EC50 values were fitted from a four-parameter logistic equation over a 10-point response curve (GraphPad Prism).
12933	1	Dundee MALDI-TOF Mass Spectrometry Assay (ICs)	USP30 (25 ng/μl) tested against K48-linked diubiquitin (5.6 μM). USP30 was diluted in a buffer containing 40 mM Tris, 0.01% BSA, 1 mM DTT and K48 in 40 mM Tris, 0.01% BSA. The compounds were pre-incubated with the USP30 for 5 mins at room temp before the K48 dimer addition. The assay mixture was then incubated for 45 mins at room temp. The assay was stopped by the addition of TFA to a final concentration of 2% (v/v). Acidified samples of the DUB assays were mixed with 0.5 mM 15N-ubiquitin and then with one part of 2% (v/v) TFA and one part of 2.5 DHAP matrix solution (7.6 mg of 2.5 DHAP in 375 ml ethanol and 125 ml of an aqueous 12 mg ml 1 diammonium hydrogen citrate). Then 250 nl of these solutions were spotted onto an MTP AnchorChip 1,536 TF and this is analysed on the Bruker rapifleX MALDI-TOF.
12933	2	In Vitro USP30 Biochemical Assay	In vitro biochemical assay to establish the potency of compounds for USP30 inhibition: a 384-well plate assay using a fluorophore tagged substrate of USP30 was used for in vitro screening of compounds. Each compound was tested at 10 different concentrations (0.5 to 10,000 nM) in duplicate wells. Compounds were pre-incubated at 25° C. for 30 min in an assay buffer consisting of 20 mM Tris/HCl, pH8.0, 1 mM GSH, 0.01% Triton X-100, 0.03% BGG and 1.5 nM recombinant USP30 (amino acids 57-517 of the human sequence with a C-terminal 6-His tag). Following the pre-incubation, Ubiquitin-Rhodamine substrate dissolved in the assay buffer was added at the final concentration of 25 nM to each well and plates were incubated at 25° C. for an additional 75 minutes. The reaction was stopped by adding 10 mM citric acid and fluorescence was read using excitation wavelength 485 nm, emission of 535 nm. Data were analyzed using Graph Pad Prism software with a four-parameter (floating slope) fit to log concentration data to determine IC50s.
12934	1	TR-FRET Assay for LSD1 (Perkin Elmer)	LSD1 enzyme was produced in house. Tranylcypromine (TCP), LSD1 inhibitor was procured from Selleckchem. LSD1 enzyme, TCP and Biotinylated peptide substrate were diluted in assay buffer just before use. 2× inhibitor (10 μL, diluted in assay buffer) or Assay Buffer, and 5 nM enzyme were added to a 96 well plate and incubated at room temperature for 30 min. 5 μL of biotinylated Histone H3K4me1 peptide (4×) was added to each well and incubated at room temperature (RT) for 1 hour. Stop Solution containing 300 μM tranylcypromine in 1×LANCE Detection Buffer was added to the wells and incubated for 5 min at RT. Then, Detection mixture containing 2 nM Eu-Ab and 50 nM ULight-Streptavidin in 1×LANCE Detection Buffer was prepared and added to the reaction mixture. This mixture was incubated for 1 hour at room temperature. Readings were taken with the Pherastar Reader in TR-FRET mode (excitation at 337 nm & emission at A-665 nm, B-620 nM).
12934	2	Histone Deacetylase Assay (BPS Biosciences)	Histone deacetylase assay was done as per manufacturer&#39;s instructions. Briefly, assay buffer, 200 uM HDAC substrate (fluorogenic HDAC acetylated peptide substrate for class I HDACs (HDACs 1, 2 and 3) and class 2b HDACs (HDACs 6 and 10) and 1% BSA are taken as a master mixture and aliquoted as 40 uL per well. Compounds (10×) were diluted in assay buffer and were added to respective wells of a black 96 well plate. For HDAC1 (1.4 ng/μL) and for HDAC6 (7 ng/μL) human recombinant enzyme was thawed on ice and 5 μL of respective enzyme was added per well. The plate was incubated at 37° C. for 1 hour. Developer solution was then added (50 μL per well) and incubated at room temperature for 10 minutes. Fluorescence was measured at an excitation wavelength of 350-380 nm and emission wavelength of 440-480 nm.
12935	1	In Vitro DPP1 Enzyme Activity Assay	Recombinant human DPP1 enzyme (R&D Systems, Cat. No. 1071-CY) at a final concentration of 100 μg/mL was mixed with recombinant human cathepsin L (R&D Systems, Cat. No. 952-CY) at a final concentration of 20 μg/mL were mixed and incubated at room temperature for 1 hour to activate the DPP1 enzyme. The activated DPP1 enzyme was diluted 100-fold, and 5 μL of compounds at different concentrations and 5 μl of the diluted DPP1 enzyme were added to a 384-well plate and incubated at room temperature for 30 minutes. After 10 μL of the substrate Gly-Arg-AMC (bachem, Cat. No. I-1215) at a concentration of 20 μM was added, incubation was continued at room temperature for 60 minutes, and the fluorescence intensity was detected with a microplate reader (excitation light=380 nm and emission light=460 nm). IC50 values were calculated using the DosResp function of the Origin2019 software.
12936	2	Assaying Cardiac Muscle Myosin II	The cardiac muscle myosin II actin-activated ATPase assay is a biochemical assay. Specifically, it is an NADH (nicotinamide adenine dinucleotide)-coupled ATPase assay that relies on NADH fluorescence as a readout. Cardiac myosin is a mechanochemical energy transducer that hydrolyzes ATP to generate force in the presence of its activator, F-actin. The resulting ADP is regenerated to ATP by pyruvate kinase (PK) that transforms one molecule of phosphoenolpyruvate (PEP) to pyruvate in parallel. Subsequently, pyruvate is reduced to lactate by lactate dehydrogenase (LDH) that, in turn, oxidizes one molecule of NADH to NAD. Therefore, the decrease in NADH concentration as a function of time equals the ATP hydrolysis rate. Bovine cardiac myosin is obtained from a commercial source, Cytoskeleton. PK, LDH, ATP, PEP, and NADH are obtained from Sigma. F-actin is prepared in house from Rabbit Muscle Acetone Powder. The assay is run at 25° C. in 384 well black-wall polystyrene microplates with a total volume of 20 μl per well. NADH fluorescence is monitored for 30 minutes with an EnVision Multimode Plate Reader. The slope of the fluorescence response, which is proportional to the reaction rate, is determined by simple linear regression. Final assay conditions are 300 nM cardiac myosin, 10 μM actin, 40 U/ml LDH, 200 U/ml PK, 220 μM NADH, 1 mM PEP, 1 mM ATP in a buffer containing 10 mM 3-(N-morpholino)propanesulfonic acid (pH=7.0), 2 mM MgCl2, 0.15 mM ethylene glycol-bis(p-aminoethyl ether)-N,N,N′,N′-tetraacetic acid, 0.1 mg/mL bovine serum albumin, 0.5% (V/V) dimethyl sulfoxide (DMSO) and 1 mM dithiothreitol. Prior to testing the inhibitory activity of the compounds, a two-fold dilution series starting at 10 mM compound concentration is prepared in DMSO. Subsequently, 100 nl is transferred to each well of the measuring plate containing a mixture of myosin, LDH and PK. The enzymatic reaction is started with the addition of a mixture containing ATP, PEP, NADH and actin. The highest final compound concentration is 50 uM. 20 μM para-aminoblebbistatin in 0.5% DMSO serves as the positive control and 0.5% DMSO alone is the negative control. Reaction rates are determined by using the fluorescence responses of a dilution series of NADH included in all plates and plotted as a function of inhibitor concentration. All measurements are carried out in triplicate. Inhibitory constants are determined by fitting the 16 point dose-response data to a quadratic equation corresponding to a simple one-to-one binding model. Small molecules showing no observable inhibition at or below their solubility are reported as inactive.
12936	3	Assaying Skeletal Muscle Myosin II	The skeletal muscle myosin II actin-activated ATPase assay is performed the same as for cardiac muscle myosin II with the following exceptions: Rabbit skeletal myosin is obtained from Cytoskeleton and the final assay conditions contain 20 nM skeletal muscle myosin II.
12937	1	TR-FRET assay (1 hour)	The TR-FRET assay was designed following the Scott et al. protocol (Scott et al., Nat Chem Biol. 2017 August; 13(8): 850-857. Doi:10.1038/nchembio.2386). The recombinant form of the DCN1 (DCUND1) protein PONY domain was produced using an E. coli expression system at Viva Biotech (China). The DCN1 protein was biotinylated (EZ sulfo-NHS-LC-biotin; Thermofisher) for labeling with streptavidin terbium (Tb) cryptate in the reaction. The probe was changed to a non-covalent DCN1 inhibitor labeled with carboxyfluorescein (FAM; Zhou et al., Nat Commun. 2017; 8: 1150. Doi: 10.1038/s41467-017-01243-7). Buffer conditions were modified to enhance protein stability by exchanging Tween20 for TritonX and increasing NaCl to 200 mM. The compounds were screened against 5 nM DCN1 and 20 nM FAM-probe or 0.31 nM DCN1 and 900 nM total probe (100 nM FAM-labeled plus 800 nM unlabeled). The TR-FRET ratio between Tb-DCN1 and the FAM-labeled probe was measured in a 384-well opti-plate (Perkin Elmer) using a plate reader (BMG) at 1 hour after treatment with compound (final DMSO concentration of 0.1%). The ratio was normalized to the high (DCN1 and FAM-probe) and low (DCN1 and no probe) controls for a readout of % activity (=100*(x−low)/(high−low). The % activity across concentrations is used to determine the IC50.
12937	2	TR-FRET assay (24 hours)	The TR-FRET assay was designed following the Scott et al. protocol (Scott et al., Nat Chem Biol. 2017 August; 13(8): 850-857. Doi:10.1038/nchembio.2386). The recombinant form of the DCN1 (DCUND1) protein PONY domain was produced using an E. coli expression system at Viva Biotech (China). The DCN1 protein was biotinylated (EZ sulfo-NHS-LC-biotin; Thermofisher) for labeling with streptavidin terbium (Tb) cryptate in the reaction. The probe was changed to a non-covalent DCN1 inhibitor labeled with carboxyfluorescein (FAM; Zhou et al., Nat Commun. 2017; 8: 1150. Doi: 10.1038/s41467-017-01243-7). Buffer conditions were modified to enhance protein stability by exchanging Tween20 for TritonX and increasing NaCl to 200 mM. The compounds were screened against 5 nM DCN1 and 20 nM FAM-probe or 0.31 nM DCN1 and 900 nM total probe (100 nM FAM-labeled plus 800 nM unlabeled). The TR-FRET ratio between Tb-DCN1 and the FAM-labeled probe was measured in a 384-well opti-plate (Perkin Elmer) using a plate reader (BMG) at 24 hrs after treatment with compound (final DMSO concentration of 0.1%). The ratio was normalized to the high (DCN1 and FAM-probe) and low (DCN1 and no probe) controls for a readout of % activity (=100*(x−low)/(high−low). The % activity across concentrations is used to determine the IC50.
12938	1	Primary Assay Used to Determine Potency of MEN1 Activity Inhibition	Compound activity was determined using recombinant MEN1 protein (Creativebiomart, Cat #MEN1-35H) and a custom fluorescein-labeled MLL4-43 peptide (Eton Bioscience Inc.). Interaction between MEN1 and MLL4-43 in the presence of compounds was determined by fluorescence polarization assay using a Microplate Reader ClarioStar Plus. The reaction was carried out in assay buffer (50 mM TRIS-HCl pH 7.4-7.6, 50 mM NaCl, 1 mM DTT, 0.1 mg/ml BSA). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C-S) using the Biomek FX liquid handling system at 100× solutions of compounds in DMSO. 2×MEN1 mix (final concentration of MEN1 10 nM) was prepared in Assay buffer and 10 μl of mixture per well was added into 384 w white Reaction plate with NBS (Corning, Cat #4513). 10 μl of Assay buffer w/o MEN1 was used for negative control. Plates were centrifuged for 1 min at 100 g. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 3 μl of 100× compounds (in DMSO) were mixed thoroughly with 27 μl Assay Buffer, then 2 μl of this mixture was added to Reaction plate with 10 μl of MEN1 mix. Plates were centrifuged for 1 min at 100 g and incubated for 20 min at room temperature. Next 8 μL of MLL4-43 peptide per well was added to final concentration of MLL 0.5 nM. Plates were incubated for 1 hour at room temperature. Then fluorescence polarization was measured using Microplate Reader.
12939	1	CDK4/Cyclin D1 Mobility Shift Assay	Small molecule inhibition of CDK4/Cyclin D1 kinase activity was evaluated using a fluorescence-based microfluidic mobility shift assay. CDK4/Cyclin D1 catalyzes the production of ADP from ATP during phosphoryl transfer to the substrate peptide, FLPeptide34 (5-FAM-RRRFRPASPLRGPPK-COOH) (Perkin Elmer, 760643). CDK4/Cyclin D1 (Thermo Fisher, PR8064A) at 3 nM was prepared with 10 mM MgCl and 1 M ATP in a buffer containing 40 mM HEPES, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, and 1 mM DTT and pre-incubated at room temperature for 30 min prior to the start of the reaction. 3 micromolar of the substrate was added to start the reaction. The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the 30 minute kinase reaction. The reaction was terminated by addition of 0.5 M EDTA. Both substrate and product were measured and the ratio of these values used to generate % conversion of substrate to product by the LabChip EZ reader (Perkin Elmer). IC50 values were calculated using the inhibition of conversion ratio using Dotmatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23).
12939	2	CDK6/Cyclin D3 Mobility Shift Assay	Small molecule inhibition of CDK6/Cyclin D3 kinase activity was evaluated using a fluorescence-based microfluidic mobility shift assay. CDK6/Cyclin D3 catalyzes the production of ADP from ATP during phosphoryl transfer to the substrate peptide, FLPeptide34 (5-FAM-RRRFRPASPLRGPPK-COOH) (Perkin Elmer, 760643). CDK6/Cyclin D3 (Carna, 04-107) at 5 nM was prepared with 10 mM MgCl and 100 micromolar ATP in a buffer containing 50 mM HEPES, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, and 2 mM DTT and pre-incubated at room temperature for 30 min prior to the start of the reaction. 1.5 micromolar of the substrate is added to start the reaction. The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the 120 minute kinase reaction. The reaction was terminated by addition of 0.5 M EDTA. Both substrate and product were measured and the ratio of these values used to generate % conversion of substrate to product by the LabChip EZ reader (Perkin Elmer). IC50 values were calculated using the inhibition of conversion ratio using Dotmatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23).
12939	3	CDK2/Cyclin E1 Mobility Shift Assay	Small molecule inhibition of CDK2/Cyclin E1 kinase activity was evaluated using a fluorescence-based microfluidic mobility shift assay. CDK2/Cyclin E1 catalyzes the production of ADP from ATP during phosphoryl transfer to the substrate peptide, FLPeptide18 (5-FAM-QSPKKG-CONH2) (Perkin Elmer, 760362). CDK2/Cyclin E1 (Eurofin, 14-475) at 2 nM was prepared with 10 mM MgCl and 100 micromolar ATP in a buffer containing 50 mM HEPES, 1 mM EGTA, 0.01% Brij-35, 0.05% BSA, and 2 mM DTT and pre-incubated at room temperature for 30 min prior to the start of the reaction. 1.5 micromolar of the substrate is added to start the reaction. The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the 120 minute kinase reaction. The reaction was terminated by addition of 0.5 M EDTA. Both substrate and product were measured and the ratio of these values used to generate % conversion of substrate to product by the LabChip EZ reader (Perkin Elmer). IC50 values were calculated using the inhibition of conversion ratio using Dotmatics Knowledge Solutions Studies curve fitting (Dotmatics, Bishops Stortford, UK, CM23).
12940	1	KRAS G12D TR-FRET Assay	Compounds of interest were prepared in a dose-response titration in DMSO, and 80 nL were added via Labcyte Echo to each well of a 384-well plate (Perkin Elmer 6008280). The His-tagged KRAS G12D protein (Amgen) was diluted to 20 nM in Assay Buffer (20 mM HEPES, pH 7.4, 10 mM MgCl2, 50 mM NaCl, 0.1% BSA, 0.01% Tween-20, 10 μM GDP) and 2 μL was added to the appropriate wells of the 384-well plate. The plate was incubated for 30 minutes at rt. Biotinylated KRPep-2d substrate (Amgen) was diluted to 20 DM in Assay Buffer and 2 AL was added to all wells and incubated for 1 hour at room temperature. Detection Reagent (0.4 nM LANCE Eu-W1024 Anti-6×His (Perkin Elmer AD0401), 5 nM streptavidin-d2 (Cisbio 610SADLA)) was prepared in Assay Buffer, then 4 AL was added to the plate and incubated for 1 h at rt. Plates were read using PerkinElmer En Vision (ex: 320 nm, em1: 665 nm, em2: 615 nm) and em1/em2 data was used to generate curve fits using a 4-parameter logistic model to calculate IC50 values.
12940	2	KRAS G12D Coupled Nucleotide Exchange Assay	Purified GDP-bound KRAS protein (aa 1-169), containing both G12D and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, and 0.01% Triton X-100) with a compound dose-response titration for 2 h. Following compound pre-incubation, purified SOS protein (aa 564-1049) and GTP (Roche 10106399001) were added to the assay wells and incubated for an additional 30 min. To determine the extent of inhibition of SOS-mediated nucleotide exchange, purified GST-tagged cRAF (aa 1-149), nickel chelate AlphaLISA acceptor beads (PerkinElmer AL108R), and AlphaScreen glutathione donor beads (PerkinElmer 6765302) were added to the assay wells and incubated for 10 min. The assay plates were then read on a PerkinElmer En Vision Multilabel Reader, using AlphaScreen® technology, and data were analyzed using a 4-parameter logistic model to calculate IC50 values.
12941	1	calcium flux detection assay	Determination of the Agonistic Activity of the Compounds of the Present Disclosure on GPR139
12942	1	MALT1 Enzymatic Activity Inhibition	Compound activity was determined using recombinant MALT1 protein (Creative Biomart, Cat #MALT1-28H) and Ac-LRSR-AMC Substrate in an in vitro enzymatic reaction. The enzymatic assay used to determine activity was a Fluorescence assay using a Microplate Reader ClarioStar Plus. The enzymatic reaction was carried out in 1× Assay Buffer (50 mM HEPES pH 7.2-7.4, 100 mM NaCl, 900 mM Sodium citrate, 10 mM DTT). The compounds were dispensed on a 384-well Diamond Well Plate (Axygen, Cat #P-384-120SQ-C—S) using the Biomek FX liquid handling system at 100× solutions of compounds in DMSO. 2.5×MALT1 mix (final concentration 1.5 ng/μl of MALT1) was prepared in 1× Assay Buffer and 8 μl of mixture per well were added into 384w white Reaction Plates with NBS (Corning, Cat #4513). 8 μl of 1× Assay Buffer were used for negative control. Plates were centrifuged for 1 min at 200 g. Next, the compounds were added to Reaction plates using Biomek station via following steps: 1 μl of 100× compounds (in DMSO) was mixed thoroughly with 19 μl of 1× Assay Buffer, then 4 μl of this mixture were added to Reaction plates with 8 μl of MALT1 mix. Plates were centrifuged for 1 min at 200 g and incubated for 10 minutes at rt. Next, 2.5× Ac-LRSR-AMC mix (final concentration 1 μM of Ac-LRSR-AMC) was prepared in 1× Assay Buffer and 8 μl of mixture per well were added to Reaction Plates using Biomek station. Plates were centrifuged for 1 min at 200 g, then the fluorescence was measured immediately using Microplate Reader. Plates were incubated for 30 minutes at 37° C., then for 30 minutes at rt. The fluorescence was measured after the whole incubation using Microplate Reader. The reaction signal was calculated as the subtraction of the first data set values from the second.
12943	1	Evaluation of NSD2 Inhibitory Activity	A reaction mixture was prepared by adding oligonucleosomes from Chicken (0.05 mg/ml) to freshly prepared reaction buffer containing 50 mM Tris-HCl (pH 8.5), 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, and 1% DMSO followed by the addition of recombinant human NSD2, (amino acids 2-end) with N-terminal His tag (2 nM; GenBank Accession No. NM 001042424; MW=155.5 kDa; expressed in Sf9 insect cells) and gentle mixing. The test compounds were diluted in DMSO, added to the reaction mixture in nanoliter amounts by using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) and incubated for 20 minutes at room temperature. The reaction was initiated by the addition of S-Adenosyl-L-[methyl-3H] methionine (3H-SAM; 1 μM), and the mixture was incubated for 1 hour at 30° C. The reaction mixture was delivered to filter paper and the methylated substrate was quantified by scintillation counting. Data analysis was performed using Excel and GraphPad Prism software for IC50 curve fits. For additional information on the histone methyltransferase assay, see, for example, Horiuchi K Y, et al., “Assay Development for Histone Methyltransferases,” Assay Drug Dev Technol. 2013 May; 11 (4): 227-36.
12944	1	CYP1A2 Inhibition	Pooled human liver microsomes were incubated with individual CYP, CYP1A2, isozyme-specific marker substrate (Phenacetin) in the presence of test compound at various concentrations (0.05, 0.15, 0.5, 1.5, 5, 15, 50 uM). The specific marker metabolites are measured with LC/MS/MS. The remaining enzymatic activities and inhibitory potency IC50 are determined.
12945	1	CRBN/DDB1 Protein Activity	Microplate reader (BMG PHERAstar FSX), ECHO (LABCYTE Echo 665), microplate thermostatic oscillator (Hangzhou Ruicheng Instrument Co., Ltd.), disodium hydrogen phosphate (Sigma-Aldrich (Shanghai) Trading Co., Ltd.), sodium dihydrogen phosphate (Sigma-Aldrich (Shanghai) Trading Co., Ltd.), bovine serum albumin (Sigma-Aldrich (Shanghai) Trading Co., Ltd.), Anti-6His-Tb crypate Gold (Cisbio Bioassays Company CISBIO), CRBN/DDB1 protein (HitGen Inc.), 384-well plate (Grenier Bio-one (Shanghai) Co., Ltd.).
12946	1	KRAS G12C-BRAF NanoBit Assay	HEK293 cells were grown and maintained using DMEM medium (Thermo Fisher Scientific) with 10% fetal bovine serum and 1% penicillin/streptomycin. Both KRAS G12C and BRAF RBD were cloned into the NanoBit vectors (BiBiT vectors system, Promega) with the orientations SmBit-KRAS G12C and BRAF RBD-LgBit, respectively, and co-transfected into HEK293 cells. Cells were then selected with 100 μg/mL Hygromycin B (10687010, Thermo Fisher) and Blasticidin (5 μg/mL) for 4 weeks to get the stable cell pool. On the day of the assay, 75 nL of compound solution was presented in a 384-well assay plate as a 16-point 3-fold dilution starting from a final concentration of 30 μM in DMSO. Then cells were seeded at 10,000 cells/25 μL/well in a 384-well plate. After 3 hours of incubation, 6 μL of volume of Nano-Glo® Live Cell Substrate (Promega) was added into each well. Monitor luminescence using ultra384 model in Envision at 20 minutes. Compounds that facilitate disruption of the KRAS G12C-BRAF RBD complex were identified as those eliciting a decrease of luminescence relative to DMSO control wells.
12946	2	KRAS-BRAF with CYPA (50 nM) Interaction Assay	In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was also used to measure disruption of KRAS G12D or KRAS G12V binding to BRAF by a compound of the invention, respectively. In assay buffer containing 25 mM HEPES PH=7.4 (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, Thermo, 15630080), 0.002% Tween20, 0.1% BSA, 100 mM NaCl, 5 mM MgCl2, 10 μM GMPPNP (Guanosine 5′-[β,γ-imido]triphosphate trisodium salt hydrate, Sigma, G0635), tagless CYPA, GMPPNP loaded 6His-KRAS proteins, and GST-BRAFRBD were mixed in a well of a 384-well assay plate at final concentrations of 50 nM, 6.25 nM and 1 nM, respectively. Compound was present in plate wells as a 16-point 3-fold dilution series starting at a final concentration of 10 μM and incubated for 3 hours. A mixture of MAb Anti-6His-XL665 (Cisbio, 61HISXLB) and Mab anti-GST-TB cryptate (Cisbio, 61GSTTLB) was then added at a final concentration of 6.67 nM and 0.21 nM, respectively, and the plate was incubated for an additional 1.5 hours. TR-FRET signal was read on a PHERstar FSX microplate reader (Ex320 nm, Em 665/615 nm). Compounds that facilitate disruption of the KRAS-BRAF complex were identified as those eliciting a decrease in the TR-FRET ratio relative to DMSO control wells.
12947	1	CDK4/CyclinD1 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK4/Cyclin D1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured. IC50 determination. Recombinant protein complex CDK4/Cyclin D1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 0.1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK4/CyclinD1 (1 nM final), ULight-4E-BP1 (100 nM final, Perkinelmer, TRF0128-D), and ATP (2 mM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E). After 20 minutes preincubation at room temperature, MgCl2 (10 mM final) was added to initiate the reaction. Following a 60 minutes incubation at 37° C., the reaction was stopped by addition of 2 μL of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), 2 nM LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), 10 mM EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010). IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software.
12947	2	CDK6/CyclinD1 Enzymatic Activity Assay	The inhibitory activity of compounds was evaluated in vitro using TR-FRET assay with white 384-well low volume microplate (Greiner Bio-One). CDK6/Cyclin D1 catalyzed phosphorylation of peptide in the presence and absence of compounds was measured and used in IC50 determination. Recombinant protein complex CDK6/Cyclin D1, expressed from insect cell, was purchased from ProQinase. Testing compounds were dissolved in DMSO at 0.1 mM and tested in 9-dose IC50 mode. The reaction mixture was prepared by mixing CDK6/Cyclin D1 (1 nM final), ULight-4E-BP1 (100 nM final, Perkinelmer, TRF0128-D), and ATP (250 μM final) in assay buffer (20 mM of HEPES pH 7.4, 1 mM of EGTA, 0.05% BSA, 0.005% Tween 20, and 1 mM TCEP). The compound of interest in DMSO was added to each well in 3-fold serial dilution by dispenser (TECAN D300E). After 20 minutes preincubation at room temperature, 0.1 μL MgCl2 (10 mM final) was added to initiate the reaction. Following a 60 minutes incubation at 37° C., the reaction was stopped by addition of 2 μL of quenching buffer consisting of Lance detection buffer (Perkinelmer CR97-100C), 2 nM LANCE Ultra Europium-anti-P-4E-BP1 (Perkinelmer, TRF0216-D), 10 mM EDTA, and incubate at room temperature for additional 60 minutes in dark. The reaction signal was measured by Envision multimode plate reader (PerkinElmer, 2102-0010). IC50 values were determined by fitting the data to the standard 4 parameters with Hill Slope using GraphPad Prism software. Table 1, below, shows the IC50 values determined by this assay.
12948	1	Time-Resolved Fluorescence Energy Transfer (Tr-Fret) Assay	Test compounds dissolved in DMSO were transferred by Echo 655T (Labcyte, San Jose, CA) to 384-well low-volume solid black plates. A mixture of biotin-KLHDC2, terbium-streptavidin (Thermo Fisher) and a Bodipy-labeled ligand probe (Lee-4893) was dispensed into the assay plates at a final volume of 20 μL using a Tempest (Formulatrix, Bedford, MA), followed by incubation at room temperature for 1 h prior to measurement of the TR-FRET signal using a PHERAStar plate reader (BMG Labtech, Durham, NC), which was equipped with modules for excitation at 337 nm and emission at 490 and 520 nm. The integration start was set to 100 μs, and the integration time was set to 200 μs. The number of flashes was fixed at 100. The 520/490 ratio was used as the TR-FRET signal in calculations.
12949	1	PKMYT1 HTRF Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of tracer solution (Tracer 178) was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 5 μL GST-Tb was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 15 minutes at 25° C. The assay plate was read on Envision.
12949	2	WEE1 ADP-Glo Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of substrate solution was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 10 μL kinase detection reagent was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 60 minutes at 25 T. The assay plate was read on Envision for US LUM as RLU.
12950	1	BCL6 TR-FRET Protocol	Assay buffer A: 50 mM HEPES pH 7.5, 125 mM NaCl, 0.01% TritonX.Assay buffer B (made fresh): buffer A+1 mM Glutathione (or 0.5 mM DTT).Assay buffer C (made fresh): buffer B+0.03% BSA.Black Proxy plates, 96 well.15 μl final reaction volumes (BCoR-Cy5 100 nM, SA-Eu 2 nM, BCL6-avitag 2 nM).134 μM BCL6-Avitag-Biotin stock: made fresh by adding 2 μl of BCL6-Avitag-Biotin to 31.5 ml Buffer C.1 mM BCoR-Cy5 peptide (LifeTein) stock in Dimethylformamide (DMF).300 nM BCoR-Cy5 working stock: made fresh by adding 4.5 μl of the 1 mM BCoR-Cy5 peptide stock to 15 ml Buffer B.10 μM Eu-Streptavidin (Lance Eu-W1024 Streptavidin, PerkinElmer) stock solution.6 nM Eu-Streptavidin working stock: made fresh by adding 9 μl Eu-Streptavidin stock solution to 15 ml Buffer A.Compounds were diluted to 10 mM. Twenty microliters of DMSO was aliquoted to each well of the microtiter plates. From the 10 mM compound stock, 8.7 ul was aliquoted to the 20 ul DMSO and 3-fold serial dilutions (12 pt 3-0.01 uM tritration plate, 96 well, 100% DMSO) performed. Five ul from the titration plate wells was aliquoted to 45 ul Buff C (Intermediate dilution plates, 10% DMSO).Spot 1.5 μl compound titrations to 384-well plates in duplicate, and spot 3.5 μl [8.5 nM] BCL6-bio protein to each well. The plate was mix briefly, centrifuged, and incubated for 30 minutes at room temperature.Mix 14 mls of BCoR-Cy5 [300 nM] and 14 mls [6 nM] Eu-Streptavidin. Spot 10 μl BCoR-Cy5/SA-Eu (1:1) mix to each well. The plates were incubated for 2 hours and then read on an Envision plate reader.
12951	1	Kinase Inhibition Assay	WT EGFR and EGFR[L858R/T790M] kinase detection: In 5× kinase buffer A, WT EGFR or EGFR[L858R/T790M] kinase was mixed with different concentrations of compounds prepared by pre-dilution for 10 minutes. Each concentration was tested in duplicate. The corresponding substrate and ATP were added, and reaction was performed at room temperature for 20 minutes (negative and positive controls were provided: the negative control was a blank control, and the positive control was erlotinib). After completion of the reaction, detection reagents (reagents in the HTRF Kinase TK kit) were added. After incubating for 30 minutes at room temperature, enzyme activity in the presence of various concentrations of the compounds of the present disclosure was determined by Evnvision microplate reader, and inhibitory activity of different concentrations of the compounds on enzyme activity was calculated. The inhibitory activity of different concentrations of the compounds on enzyme activity was then fitted by Graphpad 5.0 software according to the four-parameter equation, and the IC50 value was calculated.
12952	1	Kinase Activity Assay	The inhibitory effect of the compound on the kinase CDK4/cyclin D3 was tested by the Caliper Mobility Shift Assay method. The final test concentration of the compound was 10 concentrations, which started from 1p M and were obtained by three-fold dilution. 5 μL of 5-fold final concentration compound and 10 μL of CDK4/Cyclin D3 kinase solution with final concentration of 10 nM were added to the 384-well reaction plate respectively, and pre incubated at room temperature for 10 minutes (the negative control well contained 10 μL kinase buffer and 5 μL 5% DMSO; the positive control well contained 10 μL kinase solution and 5 μL 5% DMSO). The mixture of 10 μL ATP with a final concentration of 250 μM and the corresponding substrate peptide was added to initiate the reaction, and the mixture was reacted at room temperature for 150 minutes. 30 μL of stop test solution containing EDTA was added to stop the kinase reaction. Conversion rate was read by Caliper EZ Reader. Conversion inhibition rate %=(average conversion rate of positive control %−sample conversion rate %)/(average conversion rate of positive control %−average conversion rate of negative control %). Wherein: the negative control well represents conversion rate reading of wells without enzyme activity; the positive control well represents conversion rate reading of wells without compound inhibition. The log value of concentration was taken as the X-axis and the percentage inhibition rate was the Y-axis. The dose-effect curve was fitted by log(inhibitor) vs. response—Variable slope of the analysis software GraphPad Prism 5, and the IC50 value of each compound on the enzyme activity was obtained. Calculation formula: Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*HillSlope)).
12953	1	FAAH Inhibition Potency	MAGL inhibitor compounds were also counter-screened for FAAH inhibition potency using the following assay. Assessment of FAAH inhibition was performed using Fatty Acid Amide Hydrolase Inhibitor Screening Assay Kit (Cayman Item No. 10005196) following manufacture&#39;s instruction with some modifications. The kit utilizes human recombinant FAAH and the fluorescent substrate, AMC Arachidonoyl amide (AAMCA). 5 μL of assay buffer (125 mM Tris, pH 9.0, 1 mM EDTA, i.e. ethylenediaminetetraacetic acid) was added to a 384-well black plate (Corning, 3573). Test compounds and control inhibitor JZL-195 (Cayman Chemical, 13668) were tested in 10-concentration IC50 mode with 3-fold serial dilution at a starting concentration of 100 μM and 10 μM, respectively. 300 nL or 30 nL of test compounds were delivered into a 384-well black plate (Corning, 3573) using a Labcyte Echo, followed by addition of 15 μL of FAAH enzyme (Cayman, 700302) in assay buffer. After a 5-minute pre-incubation at room temperature, 10 μL of AAMCA was added in assay buffer to start the reaction. Final concentration of FAAH enzyme is not specified and AAMCA substrate was used at the 20 μM. After these dilutions, the final concentration of the test compounds ranged from 100 μM to 5.08 nM or 10 μM down to 0.508 nM. The reaction was allowed to progress for 60 minutes, while the plate was read on an Envision plate reader at an Ex/Em of 350/460 nm with readings every minute.
12953	2	MAGL Inhibition Potency	MAGL Inhibition was measured by the following assay. Monoacylglycerol Lipase (MAGL) inhibition was measured using recombinant MAGL enzyme (aa 2-303 RBC, internal preparation) and the substrate 4-Nitrophenyl acetate (4NPA) (Sigma-Aldrich, N8130). Hydrolysis of the substrate in the presence of the enzyme was measured by absorbance at 405 nm. 10 μL of assay buffer (10 mM Tris pH 7.5, 1 mM EDTA, 0.9% DMSO) was added to a black 384-well non-binding plate with clear bottom (Greiner, 781906) for each reaction. Compounds were dispensed using an acoustic liquid handler (Echo, Beckman) at 45 nL (0.1% DMSO). Test compounds and control for MAGL inhibitor JZL-184 (Caymen Chemical, 13158) were tested in 10-concentration IC50 mode with 3-fold serial dilution at a starting concentration of 10 μM. DMSO control wells were included for reference. A 10.8 nM (1.8×) MAGL mix in assay buffer was prepared, with 25 L added to each reaction well, for a final assay concentration of 6 nM. No enzyme wells received 25 μL of buffer. Plate was incubated at room temperature for 30 minutes. 35 mM solution of 4NPA in methanol was prepared daily. A 4.5×4NPA substrate solution was prepared in assay buffer and 10 μL was added to each reaction well, for a final assay concentration of 0.25 mM. Plate was spun for 1 minute at 1000 rpm before measuring absorbance using a CLARIOstar plate reader (BMG Labtech). A kinetic reading at 405 nm was done every minute for 30 minutes.
12954	1	In Vitro LasB Activity Assay	Fluorescence intensity was measured for 60 min at 37° C. in black 384-well microtiter plates (Greiner BioOne, Kremsmünster, Austria) using a CLARIOstar microplate reader (BMG Labtech, Ortenberg, Germany) with an excitation wavelength of 340±nm and an emission wavelength of 415±20 nm. The assay was performed in a final volume of 50 μL of assay buffer (50 mM Tris, pH 7.2, 2.5 mM CaCl2), 0.075% Pluronic F-127, 5% DMSO) containing LasB at a final concentration of or 0.3 nM and the substrate at 150 μM. Before substrate addition, compounds were preincubated with the enzyme at 37° C. for 15 min. Experiments were performed in duplicates and repeated for at least two times. Blank controls without enzyme were performed. After blank subtraction, the slope of samples containing inhibitors (v) was divided by the slope of a simultaneously started uninhibited enzymatic reaction (v0).
12954	2	Inhibition of MMPs	MMPs-1, -2, -3, -7, -8 and -14 along with the SensoLyte 520 Generic MMP Activity Kit*Fluorimetric* were purchased from AnaSpec (Fremont, CA, USA). The assay was performed as described previously (Schönauer E, Kany A M, Haupenthal J, Hüsecken K, Hoppe I J, Voos K, et al. Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases. J Am Chem Soc. 2017 Sep. 13; 139(36):12696-703) using batimastat as a positive control according to the guidelines of the manufacturer.
12954	3	HDAC Inhibition	HDAC3 and HDAC8 Inhibitor Screening Assay kits were purchased from Sigma-Aldrich. The assay was performed according to the guidelines of the manufacturer using trichostatin as a positive control. Fluorescence signals were measured in a CLARIOstar plate reader (BMG Labtech)
12954	4	TACE Inhibition Assay	The ADAM-17 (TACE) Inhibitor Screening Assay Kit was purchased from Sigma-Aldrich. The assay was performed according to the guidelines of the manufacturer using ilomastat as a positive control. Fluorescence signals were measured in a CLARIOstar plate reader (BMG Labtech).
12954	5	COX-1 Inhibition Assay	COX-1 Inhibitor Screening Assay Kit was purchased from Abcam. The assay was performed according to the guidelines of the manufacturer. Fluorescence signals were measured in a CLARIOstar plate reader (BMG Labtech).
12955	1	Inhibition Assays of p110α/p85α, p110β/p85α, p110δ/p85α, and p110γ	The commercially available kits or systems can be used to screen for inhibitors and/or agonists of PI3-Ks including but not limited to PI3-Kinase α, β, δ, and γ. An exemplary system is PI3-Kinase (human) HTRF™ Assay from Upstate. The assay can be carried out according to the procedures suggested by the manufacturer. Briefly, the assay is a time resolved FRET assay that indirectly measures PIP3 product formed by the activity of a PI3-K. The kinase reaction is performed in a microtitre plate (e.g., a 384 well microtitre plate). The total reaction volume is approximately 20 ul per well. In the first step, each well receives 2 ul of test compound in 20% dimethylsulphoxide resulting in a 2% DMSO final concentration. Next, approximately 14.5 ul of a kinase/PIP2 mixture (diluted in 1× reaction buffer) is added per well for a final concentration of 0.25-0.3 ug/ml kinase and 10 uM PIP2. The plate is sealed and incubated for 15 minutes at room temperature. To start the reaction, 3.5 ul of ATP (diluted in 1× reaction buffer) is added per well for a final concentration of 10 uM ATP. The plate is sealed and incubated for 1 hour at room temperature. The reaction is stopped by adding 5 ul of Stop Solution per well and then 5 ul of Detection Mix is added per well. The plate is sealed, incubated for 1 hour at room temperature, and then read on an appropriate plate reader. Data is analyzed and IC50s are generated using GraphPad Prism 5.
12956	1	hB0AT1 Inhibitory Test	A test compound dissolved in dimethyl sulfoxide (DMSO) was added to a 96 well plate for solid phase radioactivity measurement containing a scintillator at the bottom of the well (final concentration of DMSO 0.5%). DMSO alone as a control and DMSO containing N-(4-bromophenyl)-3,5-dichloro-2-hydroxybenzamide (final concentration 10 M) for the is measurement of B0AT1 non-specific uptake were similarly added at 0.5 μL per well. Human B0AT1 stable expression CHO cells suspended in a buffer (buffer containing 96 mM sodium chloride, 2 mM potassium chloride, 1.8 mM calcium chloride, 1 mM magnesium chloride, 0.01% bovine serum albumin, and 10 mM 2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanesulfonic acid) were added by 90 μL to 75000 cells/well. After standing at ordinary temperature for 30 min or longer, the cells were subjected to a phenylalanine uptake experiment. A buffer containing L-phenylalanine and [3,4,5-3H]-L-phenylalanine was added by 10 μL per well (final concentration of phenylalanine 0.25 mM), and the radioactivity of the plate bottom surface at ordinary temperature was measured with a scintillation counter over time, and the radioactivity value after 100 to 200 min was analyzed. A value obtained by subtracting the B0AT1 non-specific uptake from the control uptake was taken as 100%, and the concentration necessary for each test compound to achieve 50% inhibition (IC50 value) was determined by nonlinear regression using a logistic model.
12957	1	PDE3A Enzyme Inhibition Assay	For the determination of the in vitro effect of example compounds on the PDE3A reactions 2 μl of the respective example compound solution in DMSO (serial dilutions) were placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 μl of a dilution of PDE3A cell extract from Sf9 cells overexpressing human full length PDE3A (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3A cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:5000). The reaction was started by addition of 50 μl (0.025 μCi) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H]adenosine 3′, 5′-cyclic phosphate (1 μCi/μl; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 μl of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). 
12957	2	PDE3B Enzyme Inhibition Assay	The commercially available 3H-cAMP Scintillation Proximity Assay (SPA, Perkin Elmer) system was used for enzyme inhibition studies. For the determination of the in vitro effect of example compounds on the PDE3B reactions 2 μl of the respective example compound solution in DMSO (serial dilutions) were placed in wells of microtiter plates (Isoplate-96/200W; Perkin Elmer). 50 μl of a dilution of PDE3B cell extract from Sf9 cells overexpressing human full length PDE3B (SB Drug Discovery, UK) in buffer A (50 mM Tris/HCl pH 7.5, 8.3 mM MgCl2, 1.7 mM EDTA, 0.2% BSA) was added. The dilution of the PDE3B cell extract was chosen such that the reaction kinetics was linear and less than 70% of the substrate was consumed (typical dilution 1:6000). The reaction was started by addition of 50 μl (0.025 μCi) of 1:2000 in buffer A w/o BSA diluted substrate [8-3H]adenosine 3′, 5′-cyclic phosphate (1 μCi/μl; Perkin Elmer). After incubation at room temperature for 60 min, the reaction was stopped by addition of 25 μl of a suspension containing 18 mg/ml yttrium scintillation proximity beads (Perkin Elmer) in water. The microtiter plates were sealed and measured in a Microbeta scintillation counter (PerkinElmer Wallac). IC50 values were determined from sigmoidal curves by plotting percentage PDE3B activity vs log compound concentration.
12958	1	Biochemical Assay for Inhibition of LpxC	Dilutions of test compound were pre-incubated with 5 nM P. aeruginosa or E. coli LpxC for 10 minutes at room temperature in 50 mM NaH2PO4, 500 mM sucrose, 0.2 mg/mL BSA, pH 7.2 and <1% DMSO. Reactions were initiated by the addition of 2× substrate (UDP-3-O—(R-3-hydroxydecanoyl)-N-acetylglucosamine, Carbosynth Ltd, UK, for P. aeruginosa LpxC and UDP-3-O—(R-3-hydroxymyristoyl)-N-acetylglucosamine, BOC Sciences, USA, for E. coli LpxC), in 50 mM NaH2PO4, 0.5 mg/mL BSA, pH 7.2, to a final concentration of 2.5 μM. Reactions proceeded for 1 hour at room temperature prior to quenching with and equal volume of 2% acetic acid.
12959	1	 Assay for Inhibition of Thrombin by Compounds	For thrombin assay, a fluorescent peptide substrate (Boc-VPR-AMC (R&D Systems)) was used and reacted in a buffer containing 20 mM Hepes (pH 7.4), 140 mM NaCl, and 0.1% Tween 20 at room temperature. Assay parameters were adjusted to make the assay linearly related to time, enzyme, and substrate concentration. The assay method for thrombin is as follows. Test compounds were each serially diluted with a buffer, and then 10 μL of compound solution was transferred to an assay plate. A buffer was added to the assay plate at 10 μL/well, and then a thrombin (human α-thrombin (BioPharm Lab.)) solution was added at 15 μL/well. A Boc-VPR-AMC substrate solution was added at 15 μL/well, and the resulting mixture was incubated for 60 min at 25° C. A terminating solution (0.1 M acetic acid) was added at 15 μL/well, and detection was performed within 30 min by using a SpectraMax i3x microplate reader.
12961	1	Biologic and Pharmacologic Assay	The media was removed and replaced by 50 μL of 1× lysis buffer from the AlphaLISA kit (with 1× of cOmplete™ protease inhibitor). The plates were sealed, and cells were allowed to lyse for 10 min in the shaker before storing the plate at −20° C. until used. The AlphaLISA assay with processed cell lysates were performed as described in the protocol. Briefly, 10 μL of the undiluted sample were loaded to 384 well Optiplates and 5 μL of the acceptor mix (as described in the AlphaLISA kit) was added to each well. The plates were sealed and briefly vortexed followed by the incubation at RT for 3 hours. In the dark, 5 μL of donor mix was added to each well. All plates were sealed and stored at RT overnight. The plates were read in EnVision reader using standard AlphaLISA settings.Compound activity was analyzed using CBIS data analysis suite (ChemInnovation, CA).
12962	1	A2A Binding Affinity Using SPA	Binding affinity using SPA was conducted as follows. Test compounds (50 μL) were dispensed into individual wells of a 384-well OptiPlate™ well (Perkin Elmer) by Echo® acoustic liquid transfer (Labcyte). 20 μL of 1.25 nM [3H] SCH58261 ((7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine)) in DPBS assay buffer (Dulbecco&#39;s phosphate buffered saline without calcium and magnesium, ThermoFisher Scientific, Cat. No. A1285601) supplemented with 10 mM MgCl2 was added. A2A receptor-expressing membranes were incubated with 20 μg/mL adenosine deaminase (Roche, Cat. No. 10 102 105 001) for 15 min at room temperature. The receptor-expressing membranes were then combined with wheat germ agglutinin-coated yttrium silicate SPA beads (GE Healthcare, Cat. No. RPNQ0023) in a ratio of 1:1000 (w/w) and incubated for 30 min at room temperature. 30 μL of the membrane/bead mixture (0.25 μg and 25 μg per well respectively) were added to the 384-well OptiPlate™ well. To define total and non-specific binding, wells containing 1% DMSO or 1 μM CGS15943 (Tocris Bioscience, Cat. No. 1699) respectively were also included in the experiment. The plate was incubated for 1 h at room temperature with agitation. The assay plate was then incubated for an h to allow the beads to settle before data were collected using a TopCount® (Perkin Elmer) scintillation counter. 
12962	2	A2B Binding Affinity Assay	To perform the assay, compounds of the invention to be tested were first solubilized in 100% DMSO and further diluted in 100% DMSO to generate, typically, a 10-point titration at half-log intervals such that the final assay concentrations did not exceed 10 μM of compound or 1% DMSO. 148 μL (135 μg/mL) membranes and 2 μL test compounds were transferred to individual wells of a 96-well polypropylene assay plate and incubated for 15 to 30 min at room temperature with agitation. Tritiated radioligand was diluted to a concentration of 14 nM in assay buffer (phosphate buffered saline without Magnesium and Calcium, pH 7.4; GE Healthcare Life Sciences, Cat. No. SH30256.01) and then 50 μL of the solution were transferred to each well of the assay plate. To define total and non-specific binding, wells containing 1% DMSO and 20 μM N-ethylcarboxamidoadenosine (Tocris Bioscience, Cat. No. 1691) respectively, were also included. The wells of the assay plate were incubated at room temperature for 60 min with agitation, then filtered using a FilterMate Harvester® (Perkin Elmer) or similar equipment through a UniFilter-96® PEI coated plate (Perkin Elmer Cat. No. 6005274 or 6005277). Filtering was achieved by aspirating the contents of the assay plate for 5 sec, then washing and aspirating the contents three times with ice-cooled wash buffer (assay buffer supplemented with 0.0025% Brij58) and allowing the vacuum manifold to dry the plate for 30 sec. The filter plate was incubated for at least 1 h at 55° C. and allowed to dry. The bottom of the filter plate was then sealed with backing tape. 40 μL Ultima Gold™ (Perkin Elmer, Cat. No. 6013329) was added to each well of the filter plate and the top of the plate was sealed with TopSeal-A PLUS® clear plate seal (Perkin Elmer, Cat. No. 6050185).
12963	1	IDO1 Assay	After equilibrating the plates and reagents, 140 μl of the supernatant was transferred to a new plate using multichannel pipette. 10 μl of 6.1N trichloroacetic acid was added into each well, and the plate was mixed using a plate shaker at 300-500 rpm for 30 seconds. The plate was then incubated at 60° C. for 30 minutes. The plates were then centrifuged for 10 minutes at 2000 rpm. 100 μl of the supernatant was then transferred to another 96-well plate (corning-3599). To each well of the plate was added 100 μl of 2% (w/v) 4-dimethylaminobenzaldehyde in acetic acid. Optical density values were then measured by Envision at 480 nm.
12963	2	IDO2 Assay	The reference compound INCB024360 (a potent and selective indoleamine 2,3-dioxygenase (IDO1) inhibitor) and test compounds were diluted from source stock solutions, and 20 μL of diluted compound was added to each plate, which contained 180 uL culture medium. Serial dilution was performed to obtain different concentrations of compound according to the plate the plate map, and the assay plate was incubated at 37° C./5% CO2 for 72 h. After incubation, plates and reagents were allows to equilibrate to room temperature. From the assay plate, 140 μL of the supernatant was transferred to a new plate using multichannel pipette. Trichloroacetic acid powder was dissolved in ddH2O to prepare 6.1N trichloroacetic acid. 10 μL of 6.1N trichloroacetic acid was added into each well, mix the content using a plate shaker at 300-500 rpm for 30 seconds. The plates were incubated at 55° C. for 40 minutes, and then centrifuged for 10 min at 2500 rpm. Following centrifugation, 100 μL of the supernatant was transferred to another 96 plate, and 100 μL of 2% (w/v) 4-dimethylaminobenzaldehyde in acetic acid was added into each well. Measurement of the signal was performed using Envision at 480 nm. Throughout the foregoing process, care was taken to prevent exposure to light.
12964	1	NSD2 Inhibitory Activity Assay	A reaction mixture was prepared by adding oligonucleosomes from chicken (0.05 mg/mL) to freshly prepared reaction buffer containing 50 mM Tris-HCl (pH 8.5), 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, and 1% DMSO followed by the addition of recombinant human NSD2 (amino acids 2-end) with N-terminal His tag (2 nM; GenBank Accession No. NM_001042424; MW=155.5 kDa; expressed in Sf9 insect cells) and gentle mixing. The test compounds were diluted in DMSO (to 10 mM), and added to the reaction mixture in nanoliter amounts by using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) and incubated for 20 minutes at room temperature. The reaction was initiated by the addition of S-adenosyl-L-[methyl-3H] methionine (3H-SAM; 1 μM), and the mixture was incubated for 1 hour at 30° C. The reaction mixture was delivered to filter paper, and the methylated substrate was quantified by scintillation counting. The control compound, SAH (S-(5′-adenosyl)-L-homocysteine) was tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 or 100 M.
12965	1	UDP-Glo Glucosylceramide Synthase Biochemical Assay	Using Promega&#39;s UDP-Glo Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 μg crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 μM; Promega), at concentrations equivalent to 2×Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction. The generated light was detected using a luminometer.
12966	1	Biochemical Assay for A-Raf (1)	Activity of A-Raf kinase (SEQ. ID No: 1) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (100 μL final volume) using 5.55 nM A-Raf (Sigma), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 30.1 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of A-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 4 to 5 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	2	Biochemical Assay for B-Raf (1)	Activity of B-Raf kinase (SEQ. ID NO: 2) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (100 μL final volume) using 0.13 nM B-Raf (Sigma), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 30.1 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, Ph 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of B-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 4 to 5 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	3	Biochemical Assay for C-Raf (1)	Activity of C-Raf kinase (SEQ. ID NO: 3) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (100 μL final volume) using 0.43 nM C-Raf (Sigma), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 30.1 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, Ph 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of C-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 4 to 5 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	4	Biochemical Assay for B-Raf (V600E) (1)	Activity of B-Raf (V600E) (SEQ. ID NO: 4) kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (100 μL final volume) using 0.03 nM B-Raf (SignalChem), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.28 mM NADH, 30.1 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, Ph 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of B-Raf (V600E) was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored continuously for 6 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 3 to 4 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	5	Biochemical Assay for A-Raf (2)	Activity of A-Raf kinase (SEQ. ID No: 1) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (25 μL final volume) using 20 nM A-Raf (Eurofins), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.7 mM NADH, 100 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of A-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored hourly for 4 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 3 to 4 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	6	Biochemical Assay for B-Raf (2)	Activity of B-Raf kinase (SEQ. ID NO: 2) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (25 μL final volume) using 2 nM B-Raf (Sigma), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.7 mM NADH, 50 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of B-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored hourly for 4 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2 to 3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	7	Biochemical Assay for C-Raf (2)	Activity of C-Raf kinase (SEQ. ID NO: 3) was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (25 μL final volume) using 3.84 nM C-Raf (Eurofins), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.7 mM NADH, 50 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of C-Raf was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored hourly for 4 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 2 to 3 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12966	8	Biochemical Assay for B-Raf (V600E) (2)	Activity of B-Raf (V600E) (SEQ. ID NO: 4) kinase was determined spectroscopically using a coupled pyruvate kinase/lactate dehydrogenase assay that continuously monitors the ATP hydrolysis-dependent oxidation of NADH (e.g., Schindler et al., Science, 2000, 289, 1938-1942). Assays were conducted in 384-well plates (25 μL final volume) using 0.5 nM B-Raf (deCode), 1.5 units pyruvate kinase, 2.1 units lactate dehydrogenase, 1 mM phosphoenol pyruvate, 0.7 mM NADH, 100 nM MEK (SignalChem), and 1 mM ATP in assay buffer (100 mM Tris, pH 7.5, 15 mM MgCl2, 0.5 mM DTT, 0.1% octyl-glucoside, 0.002% (w/v) BSA, and 0.002% Triton X-100). Inhibition of B-Raf (V600E) was measured by adding serial diluted test compound (final assay concentration of 1% DMSO). A decrease in absorption at 340 nm was monitored hourly for 4 h at 30° C. on a multi-mode microplate reader (BioTek). The reaction rate was calculated using the 3 to 4 h time frame. The reaction rate at each concentration of compound was converted to percent inhibition using controls (i.e., reaction with no test compound and reaction with a known inhibitor) and IC50 values were calculated by fitting a four-parameter sigmoidal curve to the data using Prism (GraphPad software).
12967	1	LRRK2 Km ATP LanthaScreen™ Assay	Assays were performed in the presence of 134 μM ATP (Km ATP). Upon completion, the assay was stopped, and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 μM in 100% dimethylsulfoxide, followed by custom fold serial dilution in dimethylsulfoxide nine times. 20 nL of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 μl of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation period at room temperature, the kinase reaction was started with the addition of 5 μl of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 μM ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 μl of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation period of 1 h at room temperature, the plate was read on an EnVision® multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm.
12968	1	Inhibitory Activity Assay	The inhibitory activity of compounds is determined in competitive binding assays. This spectrophotometric assay measures the binding of biotinylated human Gal-3 (hGal-3) or human Gal-1 (hGal-1), respectively, to a microplate-adsorbed glycoprotein, asialofetuin (ASF) (Proc Natl Acad Sci USA. 2013 Mar. 26; 110(13):5052-7.). Alternatively, and preferably, a human Gal-1 version in which all six cysteines are substituted by serines may be used.Briefly, compounds are serially diluted in DMSO (working dilutions). ASF-coated 384 well plates are supplemented with 22.8 μL/well of biotinylated hGal-3 or hGal-1 in assay buffer (i.e. 300-1000 ng/mL biotinylated hGal-3 or hGal-1) to which 1.2 μL of compound working dilutions are added and mixed.Plates are incubated for 3 hours at 4° C., then washed with cold assay buffer (3×50 uL), incubated for 1 hour with 25 μL/well of a streptavidin-peroxidase solution (diluted in assay buffer to 80 ng/mL) at 4° C., followed by further washing steps with assay buffer (3×50 uL). Finally, 25 μL/well of ABTS substrate is added. OD (410 nm) is recorded after 30 to 45 min and IC50 values are calculated.
12960	1	In Vitro Enzyme Activity Test	The IC50 values of the compounds against MST1 were determined. The protein kinase MST1 and the substrate were obtained from commercial sources.5.4 μL of protein kinase MST1 diluted to a certain concentration (final concentration was 2.5 ng/μL) and 1 μL of serially diluted drug compounds and control compound XMU-MP-1 were taken to react at room temperature for 10 minutes (final drug concentrations were 10 μM, 1 μM, 0.3 μM, 0.1 μM, 0.03 μM, 0.01 μM, 0.003 μM, 0.001 μM, respectively).6 μL of a mixture of ATP (with a final reaction concentration of 50 μM) and substrate was added to the above reaction tube to react at 37° C. for 1 hour. The reaction buffer was 40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 μM DTT.5 μL of the kinase mixture after the reaction was taken to a 384-well plate, and 5 μL of ADP-GLO™ reagent was added thereto. After reaction at room temperature for 40 minutes, the kinase reaction was terminated and the remaining ATP was consumed.10 μL of a kinase detection reagent was added to convert ADP into ATP, and a coupled luciferase/luciferin reaction was utilized to detect the newly synthesized ATP.
12969	1	Inhibition of DDR1 and DDR2	DDR1 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KKKSPGEYVNIEFG (SEQ ID NO: 1), 10 mM magnesium acetate and [γ-33P]-ATP (specific activity and concentration as required). The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. An aliquot of the reaction was then spotted onto a filter and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting. Results are provided in the second column of Table 1. DDR2 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KKSRGDYMTMQIG (SEQ TD NO: 2), 10 mM MnCl2, 10 mM magnesium acetate and [γ-33P]-ATP (specific activity and concentration as required). The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%. An aliquot of the reaction was then spotted onto a filter and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.
12970	1	CTPS1 Enzyme Inhibition Assay	Assays for human CTPS1 were performed in 1× assay buffer containing 50 mM Tris, 10 mM MgCl2, 0.01% Tween-20, pH to 8.0 accordingly. Finally, immediately before use, L-cysteine was added to the 1× assay buffer to a final concentration of 2 mM. All reagents are from Sigma-Aldrich unless specified otherwise. Human full length active C-terminal FLAG-His8-tag CTPS1 (UniProtKB—P17812, CTPS[1-591]-GGDYKDDDDKGGHHHHHHHH, SEQ ID NO: 1) was obtained from Proteros biostructures GmbH.Assay Procedure: 3× human CTPS1 protein was prepared in 1× assay buffer to the final working protein concentration required for the reaction. A 2 uL volume per well of 3× human CTPS1 protein was mixed with 2 uL per well of 3× test compound (compound prepared in 1× assay buffer to an appropriate final 3× compound concentration respective to the concentration response curve designed for the compounds under test) for 10 minutes at 25° C. The enzymatic reaction was then initiated by addition of a 2 uL per well volume of a pre-mixed substrate mix (UltraPure ATP from ADP-Glo™ Max kit (0.31 mM), GTP (0.034 mM), UTP (0.48 mM) and L-glutamine (0.186 mM)) and the mixture was incubated for an appropriate amount of time within the determined linear phase of the reaction at 25° C. under sealed plate conditions with constant agitation at 500 revolutions per minute (rpm). ADP-Glo™ Max reagent was added for 60 minutes (6 μL per well) and subsequently ADP-Go™ Max development reagent was added for 60 minutes (12 uL per well) prior to signal detection in a microplate reader (EnVision® Multilabel Reader, Perkin Elmer). Following each reagent addition over the course of the assay, assay plates were pulse centrifuged for 30 seconds at 500 rpm.
12971	1	Inhibition Assay	Inhibition assay of FAP. The compounds were precisely weighed (range between 20-1000 pg) on a micro-scale (HuberLab, Sartorius QUINTIX35-1S) and dissolved in DMSO to prepare stock solutions at 1 mM. Stock solutions were further diluted with FAP activation buffer (50 mM Tris, 100 mM NaCl, 1 mM EDTA, pH=7.4) to a final DMSO concentration of 10% v/v. 10 μL of each inhibitor were serially diluted in a 384 well plate (grenier-bio one, PS, F-bottom, Black, non-binding) with 10 μL of 10% DMSO FAP buffer (1:1 dilution). FAP (human and murine) was diluted to the desired concentration with FAP activation buffer and added to the serial dilution of inhibitor (10 μL for each well). Each protein-inhibitor solution was incubated for 30 minutes at room temperature. Each measurement was performed with an enzyme concentration (FAP) lower than the expected IC50. A 60 μM solution of substrate (Z-Gly-Pro-AMC) in FAP activation buffer (<1% DMSO) was added to the plate (10 μL for each well). The reaction was incubated from 1 minute to 48 hours at room temperature (22° C.-25° C.). The emission was read at 465 nm (excitation wavelength 360 nm) for 40 μs by Tecan Spark (s.n. 1808004082). The following controls were added to each row: positive control (no inhibitor control, 10 μL of 10% DMSO FAP buffer+10 μL of FAP solution+10 μL of substrate solution), negative control (no protein control, 10 μL of 10% DMSO FAP buffer+10 μL of FAP activation buffer+10 μL of substrate solution).
12972	1	PD1-PDL1 HTRF Binding Activity Test	The effect of compounds of the examples of the present invention on the PD-1/PD-L1 interaction was determined by the PD-1/PD-L1 binding assay kit from Cisbio (#64ICP01PEG or 64ICP01PEH). The detailed experimental process was as follows:1) pre-diluted compound solution, 4 μL of Tag1-PD-L1 and 4 μL of Tag2-PD1 were each added to a 384-well plate;2) after the mixture was incubated at room temperature for 15 min, 5 μL of anti-Tag1-Eu3+ antibody and 5 μL of anti-Tag2-XL665 antibody were then added;3) after being incubated for 2 hrs at room temperature or overnight at 4° C., the plate was read on Envision of Perkin Elmer; readings at 665 nm and 620 nm were recorded, and the ratio of the two readings was taken as the reading of each well;4) the reading of each well after compound treatment was compared with the reading of DMSO treated wells to obtain the percent inhibition of the compound; and5) IC50 values of compounds of the examples of the present invention were determined by non-linear regression analysis of percent inhibition at different compound concentrations.
12973	1	Cytochrome P450 Assay	Studies to assess tested compound mediated inhibition of cytochrome P450 enzyme isoform CYP2D6 were performed using human liver microsomes (BD Gentest) using either a single concentration (1 μM) of test compound or concentration response (0.1, 0.3, 1, 3, 10 and 30 μM) to derive an IC50. Tested compound solutions were prepared from 10 mM stocks in DMSO and diluted to 200 μM in DMSO. Reactions were prepared in a 96 deep well plate by combining 1 μl test compound with 179 μl reaction mixture (100 mM phosphate buffered saline (PBS), 0.2 mg/mL microsomes and 2 μM Dextromethorphan prepared from stocks as detailed below).
12974	1	BCL2 WT, BCL2 G101V, BCL2 D103Y, BCL2 F104I, BCL2 D111A and BCLXL WT TR-FRET Binding AssayBCL2 WT, BCL2 G101V, BCL2 D103Y, BCL2 F104I, BCL2 D111A and BCLXL WT TR-FRET Binding Assay	The assay was performed in a 40 μL volume in white 384-standard well plates (Corning #3574). An 11-point serial dilution of each compound was prepared in DMSO and transferred directly to plate followed by addition of fluorescein labelled peptide and lastly protein. Final assay conditions were 0.5 nM BCL2_wt, BCL2_G101V, BCL2_D103Y, BCL2_F104I, BCL2_D111A or BCLXL_wt, 2 or 20 nM fluorescein labelled peptide, 50 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM TCEP (Tris(2-carboxyethyl)phosphine), 0.05% Tween 20, 5% DMSO. The mixture was incubated for 2 hours at 23° C. TR-FRET measurements were performed on a Biotek Synergy Neo plate reader. TR-FRET was measured by excitation of the Terbium-donor at 340 nm and subsequent (delay time 100 μs) measurement of terbium and fluorescein emission at 495 nm and 520 nm, respectively, over a collection time of 300 μs. The TR-FRET signal was calculated as the emission-ratio at 520 nm over 495 nm.
12975	1	Methods of ELISA Assay on Screening Lp(a) Assembly Inhibition	1) Added 100 μL of capture antibody to each well of a pre-coated ELISA plate and incubated overnight at 25° C.2) Added 300 μL of washing solution to each well and washed 5 times for 1 min each time.3) Added 100 μL of blocking solution to each well and incubated at 25° C. for 2 h.4) Added 300 μL of washing solution to each well and washed 5 times for 1 min each time.5) Added 100 μL of sample to each well and incubated at 25° C. for 1 h.6) Added 300 μL of washing solution to each well and washed 5 times for 1 min each time.7) Added 100 μL of detection antibody to each well and incubated at 25° C. for 1 h.8) Added 300 μL of washing solution to each well and washed 5 times for 1 min each time.9) Added 100 μL substrate solution (Color Reagent A: Color Reagent B, 1:1) to each well and incubated for 20 min at 25° C. in the dark.10) Added 50 mL of stop solution to each well, gently blowed and sucked several times with the pipette tip, and read within 5 min.
12976	1	In Vitro DPP1 Enzyme Activity Assay	Recombinant human DPP1 enzyme (R&D Systems, Cat. No. 1071-CY) at a final concentration of 100 μg/mL and recombinant human cathepsin L (R&D Systems, Cat. No. 952-CY) at a final concentration of 20 μg/mL were mixed and incubated at room temperature for 1 hour to activate the DPP1 enzyme. The activated DPP1 enzyme was diluted 100-fold, and 5 μL of compounds at different concentrations and 5 μL of the diluted DPP1 enzyme were added to a 384-well plate and incubated at room temperature for 30 minutes. After 10 μL of the substrate Gly-Arg-AMC (bachem, Cat. No. I-1215) at a concentration of 20 μM was added, incubation was continued at room temperature for 60 minutes, and the fluorescence intensity was detected with a microplate reader (excitation=380 nm and emission=460 nm). The IC50 values were calculated by using the DosResp function in an Origin2019 software.
12977	1	Caliper Endpoint Assay for HDAC Enzymatic Activity Assay	HDAC reactions were assembled in 384 well plates (Greiner) in a total volume of 20 μL as follows: HDAC proteins (and their regulatory subunit, if applicable) were pre-diluted in the assay buffer comprising: 100 mM HEPES, pH 7.5, 0.1% BSA, 0.01% Triton X-100, 25 mM KCl and dispensed into a 384 well plate (10 μL per well). Test compounds were serially pre-diluted in 100% DMSO using 3-fold dilution steps and added to the protein samples by acoustic dispensing (Labcyte Echo). Concentration of DMSO was equalized to 1% in all samples. Final compound concentration in assays typically ranged from 100 μM to 0.00056 μM for a 12-point concentration-response format. Reference compounds such as TSA (trichostatin A) and MS-275, were tested in an identical manner.Control samples (0%-inhibition in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) were assembled in replicates of four (for each caliper sipper) and used to calculate the %-inhibition in the presence of compounds. At this step compounds were pre-incubated with enzyme for 30 minutes at room temperature (20-23° C.). The reactions were initiated by addition of 10 μL of the FAM-labeled substrate peptide (see table above) pre-diluted in the same assay buffer. Final concentration of substrate peptide was 1 μM. The reactions were allowed to proceed at room temperature (20-23° C.). Typical incubation times for each HDAC, based on pre-determined enzyme progress curves, vary and are listed in table above.Following incubation, the reactions were quenched by addition of 50 μL of termination buffer (100 mM HEPES, pH7.5, 0.01% Triton X-100, 0.05% SDS). Terminated plates were analyzed on a microfluidic electrophoresis instrument (Caliper LabChip® 3000, Caliper Life Sciences/Perkin Elmer) which enables electrophoretic separation of deacetylated product from acetylated substrate. A change in the relative intensity of the peptide substrate and product is the parameter measured.
12978	1	heGAS Kinase-Glo Assay	Certain compounds of the present disclosure were tested for their h-cGAS inhibition activity using the methodology reported in Lama et al., “Development of human cGAS-specific small molecule inhibitors for repression of dsDNA-triggered interferon expression”, Nature Communications 10, Article number: 2261 (2019), with slight changes to some conditions as shown in Table B.TABLE BSummary of assay conditionsLama Presentet al. 2019 DisclosureEnzyme h-cGAS (nM) 100 40BufferTris-HCl pH 7.4 (mM) 20 20MgCl2 (mM) 5 10NaCl (mM) 150 25Tween ™-20 (%) 0.01 0.01ZnCl2 (μM) 1 1DTT (mM) 1 1DMSO (%) 0.5 5SubstratesATP (μM) 100 100GTP (μM) 100 100dsDNA (nM) 25 25AssayPlate (wells) 384 384Incubation length (h) 7 3Total volume (μL) 20 20Kinase-Glo Max (μL) 20 20
12979	1	Kinase Activity Assay	The principle of the activity assay was that TGFβR1 phosphorylates the substrate TGFβR1tide, consuming ATP in the process. This experiment employed the ADP-Glo method to detect kinase activity and determine the IC50 value, which was used to evaluate the inhibitory ability of the test compounds against human TGFβR1 In the experiment, DSM was used as a negative control, and LY364947 was used as a positive control. The specific experimental steps were as follows. Compounds were diluted 4-fold in DMSO in a dilution plate, with the final starting concentration of the compounds being 10 μM, across 10 concentration gradient points. The compounds were then further diluted 50-fold into the kinase reaction buffer and incubated on a shaker for 20 minutes. Kinase was formulated with an enzyme reaction buffer. 2 μl kinase was added to each well of the reaction plate. 1 μl of the compound diluted in buffer was added to each well, and then the plate was sealed with a sealing membrane and centrifuged at 1000 g for 30 seconds, leaving it at room temperature for 10 minutes. Solutions of TGFβR1tide and ATP were prepared with the kinase reaction buffer, and 2 μL of the TGFβR1tide/ATP solution was added to the reaction plate. The plate was sealed with a sealing film and centrifuged at 1000 g for 30 seconds. It was allowed to react at room temperature for 60 minutes. Subsequently, 4 μL of ADP-Glo was transferred to a 384-well reaction plate and centrifuged at 1000 rpm/min for 1 minute, followed by incubation at 25° C. for 40 minutes. Then, 8 μL of Detection solution was transferred to the 384-well reaction plate and centrifuged at 1000 rpm/min for 1 minute, after which it was incubated at 25° C. for 40 minutes. The RLU (Relative Luminescence Unit) signal was read using a BMG microplate reader, which was used to characterize the degree of kinase activity.
12980	1	Cell Free Assay	TBD
12981	1	Test of Inhibitory Activity on SGLT1	Test Purpose:the following methods can be used to determine the inhibitory activity of the compounds described in the invention on SGLT-1.Test Materials:14C-AMG solution was purchased from PerkinElmer, Cat. No. NEZ080001MC;α-Methylglucoside was purchased from Sigma, Cat. No. M9376-100G.N-methyl-D-glucosamine was purchased from Sigma, Cat. No. M2004-100G.Phloridzin was purchased from Sigma, Cat. No. P3449-1G.96-Well cell culture plate was purchased from Corning, Cat. No. 3903.Test Method:mock-transfected FIP-in CHO cells (3×104) and CHO cells expressing human SGLT1 gene were seeded into 96-well plates respectively. The cells were incubated for 12 hours. Each well of the 96-well plate was washed with 150 μL of sodium-free buffer once. To each well was added 50 μL of sodium-containing buffer containing test compounds of different concentrations and 0.5 μM [14]-AMG. The incubation mixture was incubated at 37° C. for 1 hour. To each well was added 150 μL of precooled sodium-free buffer to terminate the reaction. The cell pellet was washed with sodium-free buffer three times and the residual liquid in well was removed. To each well was added 20 μL of precooled 100 mM NaOH. The 96-well plate was vibrated at 900 rpm for 5 minutes. Scintillation fluid (80 μL) was added to each well which was then vibrated at 600 rpm for 5 minutes. The amount of 14C-AMG was quantitatively detected using liquid scintillation.
12982	1	Inhibitory Activity Assay	1. Experimental Materials and Instruments1) Patch clamp amplifier: patch clamp PC-505B (WARNER instruments)2) Digital-to-analog converter: Digidata 1440A (Axon CNS)3) Micro-manipulator: MIP-225 (SUTTER instrument)4) Inverted microscope: TL4 (Olympus)5) Glass microelectrode puller: PC-10 (NARISHIGE)6) Microelectrode glass capillary: B 12024F (Wuhan Weitan Scientific Instrument Co., Ltd.)7) Dimethyl sulfoxide (DMSO): D2650 (Sigma-Aldrich)2. Experimental Procedures
12983	1	Cbl-b Biochemical Assay (TR-FRET)	Fluorescein-BODIPY labeled UBED2D(C85K)-Ub was prepared by conjugating ubiquitin (Ub) labeled at its N-terminus with Fluorescein-BODIPY maleimide (ThermoFisher Catalog no B10250) to E. coli expressed and purified UBED2D(C85K) [see Dou et al Nature Structural and Molecular Biology 8: 982-987, 2013]. Recombinant human UBE2D2(C85K) was expressed in E. coli, purified and ubiquitinated and Bodipy labelled in vitro. Protein was diluted to 200 nM in assay buffer without MgCl2 (or Cisbio PPI buffer). Streptavidin-Terbium was added to 2 nM and EDTA to 10 mM, to provide a binding assay mix.Compounds were dissolved in DMSO and diluted to prepare a ten-point dilution series. 100 nl of each compound concentration was dispensed in duplicate in a 384 well black assay plate using acoustic dispensing. Wells for maximum signal controls received 100 nl of DMSO only and wells for minimum signal controls received 100 nl of a reference inhibitor compound at a final assay concentration of 100 mM to produce 100% inhibition.5 μl of diluted Cbl-b enzyme was added to all wells of the assay plate and incubated at RT for 30-60 min. The enzyme assay was initiated by addition of 5 μl of Src-Zap/ATP mix to all wells, and the plate incubated at RT for 60 min. The enzyme reaction was terminated and the binding reaction was initiated by adding 10 μl of binding assay mix to all wells and incubating the plate at RT for 60 min prior to assay read.Final assay conditions consisted of 6 nM Cbl-b, 1-2.5 nM Src-Zap70, 0.5 mM ATP, 1% (v/v) DMSO (enzyme reaction) and 100 nM UBE2D2(C85K)-Ub-FL-BODIPY, 5 mM EDTA, 1 nM Streptavidin-Tb (binding reaction).The HTRF assay signal was measured at 520 nm on an Envision plate reader, with reference signal at 485 or 620 nm. Data was normalized using maximum and minimum assay controls: % Inhibition=100−(100*((maximum control)−unknown)/(maximum control−minimum control)). A 4-parameter dose-response equation was used to fit the normalized dose-response data and derive an IC50 for test compounds.
12983	2	c-Cbl Biochemical Assay (TR-FRET)	Recombinant human c-Cbl (aa 47-435) was expressed in E. coli, purified and biotinylated in vitro. The protein was diluted to 12 nM in freshly prepared assay buffer consisting of 50 mM HEPES, pH 7.0, 100 mM NaCl, 5 mM MgCl2, 0.01% Triton-X 100, 0.01% BSA and 1 mM DTT. Recombinant human Src (aa 254-536)-GSSGSS-Zap-70 (aa 281-297) fusion protein was expressed in E. coli and purified. Protein was diluted in assay buffer to 5-20 nM and ATP was added to 1 mM. The HTRF assay signal was measured at 520 nm on an Envision plate reader, with reference signal at 485 or 620 nm. Data was normalized using maximum and minimum assay controls: % Inhibition=100−(100*((maximum control)−unknown)/(maximum control−minimum control)). A 4-parameter dose-response equation was used to fit the normalized dose-response data and derive an IC50 for test compounds. 
12984	1	AlphaScreen assay	The standard experimental protocol for YKL-40 indirect binding AlphaScreen assay comprised of 5 step additions to wells of a 96 well plate: (i) in the 1st step, 8 uL of biotinylated compound 4 was added at 5×20 nM concentration in MST buffer containing 1% DMSO; (ii) in the 2nd step, 8 uL of a small molecule compound inhibitor was added at 5×1 uM or 5×100 uM concentration in MST buffer containing 2% DMSO; (iii) in the 3rd step, 8 uL of YKL-40-histag was added at concentration 5×2.5 nM in MST buffer containing 0% DMSO, after which the plate was spun down for 2 minutes at 1500 g and incubated 1 h at 37° C.; (iv) in the 4th step, 8 uL of Nickel Chelate Acceptor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT; (v) in the 5th step, 8 uL of Streptavidin Donor beads were added at concentration 5×10 ug/mL in MST buffer containing 1% DMSO, after which the plate was spun down for 1 minute at 250 g and incubated in dark for 1 hour at RT. Positive and negative control wells received just 8 uL of MST buffer containing 2% DMSO without inhibitor in the 2nd step (ii). In addition, negative control received just 8 uL of MST buffer containing 0% DMSO without YKL-40-histag in the 3nd step (iii). Finally, the plate luminescence was excited at 680 nm and the emission read at 520-620 nm using the AlphaScreen module in the The Spark™ 10M multimode microplate reader (Tecan Trading AG, Mannedorf, Switzerland). Inhibition percentage and IC50 values were determined using GraphPad Prism 7.0 software (GraphPad Software, San Diego, CA, USA).
12985	1	LanthaScreen Eu Kinase Binding Assay	TBD
12986	1	Enzymatic Activity Assay	Specifically, the compounds were dissolved in a stock solution of DMSO at 10.0 or 100 mM. A portion of this stock solution was added to assay buffer in a final volume of 50 μL. Controls included buffer alone and enzyme solutions to which DMSO was added. Substrate was added to the reaction wells immediately or after incubation at room temperature. The reaction rates were measured spectrophotometrically by the generation of product at 405 nm for 600 sec. Background absorbance at 690 nm was measured and subtracted from the absorbance at 405 nm for each well.
12987	1	Enzymatic Assay for IDO1 Activity	Recombinant human IDO1 (rhIDO1) was expressed and purified from cultures of EC538 strain of E. coli transformed with pREP4 and pQE9-IDO plasmid. Reaction mixes were set up in 384-well microplates containing 50 mM phosphate buffer, 10 mM ascorbic, 10 μM methylene blue, 100 μg/mL catalase, 80 μM TRP, 0.01% Tween 20 (v/v) mixed with rhIDO1 (15 μL) at a final concentration of 9 nM in a total volume of 30 μL assay medium. The plates were incubated at 37° C. for 30 min, and the enzymatic reaction was terminated by adding piperidine (200 mM) and heated at 65° C. for 20 min. Fluorescence intensity was read at λ ex 400 nm and λem 500 nm. Test compounds were dissolved in 100% DMSO and pre-diluted in assay medium prior to adding rhIDO1.
12988	1	PPARy-NCOR1 Recruitment Assay	Compound potency (EC50) and maximal extent of NCOR1 recruitment to PPARG were assessed a TR-FRET binding assay measuring association of a biotinylated NCOR1 ID2 peptide (Biotin-GHSFADPASNLGLEDIIRKALMG-amide) to PPARG/RXRA LBD heterodimer. Specifically, a 20 microliters of TR-FRET master mix consisting of 2 nM WT PPARG LBD (e. coli expressed, His-TEV-Q203-Y477; Uniprot ID P37231-2), 2 nM WT RXRA LBD or mutant S427F RXRA LBD (e. coli expressed, Flag-TEV-E228-T462; P19793-1), 50 nM NCOR1, 80 nM Rosiglitazone, 25 nM streptavidin-d2 (Cisbio) and 0.3 nM Anti-His Tb(Cisbio) in 25 mM MOPS pH 7.4, 25 mM KCl, 1 mM EDTA, 0.01% BSA, 0.01% Tween-20 and 1 mM TCEP was added to 384-well plates containing duplicate 10-point dose response titrations of compounds in 60 nL DMSO (0.3% f.c. DMSO (v/v)). Mixtures were incubated for 3 hours and read in an EnVision plate reader (Perkin Elmer) with Ex/Em 615/665. To determine the potency (EC50) and extent of NCOR1 recruitment, TR-FRET ratios were normalized to the average ratio of DMSO control wells (0%) and to the average maximum ratio for positive control compound (T0070907 (2-chloro-5-nitro-N-4-pyridinyl-benzamide); defined as 100%) in CDD Vault and analyzed using the Levenberg-Marquardt algorithm.
12989	1	MAT2A Enzymatic Testing Method	1. Experimental Stepsa) 5×MAT2A assay-buffer (250 mM Tris-HCl, pH 8.0; 250 mM KCl; 75 mM MgCl2; 0.025% BSA; 0.05% Brij35; 1.5 mM EDTA) were first prepared and partially diluted to 1× for further use;b) Preparation and addition of MAT2A enzyme (BPS, 71401): MAT2A enzyme was prepared to 3.674 ng/μL (1.67×, final concentration 2.20 ng/μL) with 1×MAT2A assay-buffer. With BioTek (MultiFlo FX) automatic dispenser, 15 μL 1.67×MAT2A enzyme solution were added to the compound test well and negative control well respectively. At the same time, 15 μL of 1×MAT2A assay-buffer was added to the blank control well;c) Preparation and addition of compounds: the compound to be tested was diluted from 10 mM stock solution to 100 μM with DMSO. The positive drug AGI-24512 was diluted under the same conditions. Tecan compound titrator (D300e) was applied to automatically spray the solution into each well according to the preset concentration gradient, with the dispensed volume being extremely small and negligible. The starting concentration gradient is 1 μM, ½ log, and a total of 8 gradients are set. The plate was centrifuged at 2500 rpm for 30 s and incubated at 25° C. for 30 min;d) Preparation of ATP: 10 mM ATP (Sigma, A7699) was diluted to 700 μM with 1×MAT2A assay-buffer for further use;e) Preparation and addition of substrate and ATP mixture: 5×MAT2A assay-buffer, 3 μL/well; 750 μM L-methionine (Adamas, 01100469), 2.5 μL/well; 700 μM ATP, 2.5 μL/well; double distilled water, 2 μL/well. With total amount of mixed solution required determined according to the number of detection wells, using BioTek (MultiFlo FX) automatic dispenser, 10 μL of the mixed solution was added to each well; The plate was centrifuged at 2500 rpm for 30 s and reacted at 25° C. for 150 min;f) Addition of Biomol Green detection reagent: with BioTek (MultiFlo FX) automatic dispenser, 50 μL Biomol Green (Enzo, BML-AK111) was added to each well, the plate was centrifuged at 2500 rpm for 30 s and incubated at 25° C. for 20 min;g) Upon completion of the reaction, the OD620 value was obtained using Perkin Elmer (Envision 2105) multifunctional plate reader.
12990	1	In Vitro DGKalpha and DGKzeta Inhibition Assays	The DGKα and DGKζ biochemical reactions were performed using His-tagged human recombinant enzymes (Signal Chem, DGKα, #D21-10BH; DGKζ, #D30-10H)) and DLG (Dilauroyl-sn-glycerol) lipid substrate (Signal Chem, #D430-59). ADP-Glo assay was performed using ADP-Glo™ kinase Assay kit (Promega, #V9104). The reactions were carried out in assay buffer containing 40 mM Tris, pH 7.5, 0.1% CHAPS, 0.1% Prionex, 40 mM NaCl, 5 mM MgCl2, 1 mM CaCl2, and 1 mM DTT. DGKα reactions contained 0.1 nM DGKα, 50 μM ATP, and 20 μM DLG. And DGKζ reactions contained 0.4 nM DGKζ, 30 μM ATP, and 20 μM DLG.For compound inhibition studies, 40 nL test compound in DMSO was added to wells of white polystyrene plates in 384-well (Greiner, #784075) or 1536-well format (Greiner, #782075). Compounds were added with top concentration of 2 mM with 11 point, 3-fold dilution series. Enzyme solution (contains 2×DGK enzyme concentration in 1× assay buffer) was added to the plate in 2 μL/well volume, followed by 2 μL/well of substrate solution (contains 2× concentration of ATP and DLG substrate in 1× assay buffer). Plates were then centrifuged for 1 min at 1200 RPM and sealed or lidded. For 4 μL reaction volume, test compounds were therefore diluted 100× to final top concentration of 20 μM. After 90 minute incubation, reactions were quenched by addition of 2 μL/well Promega ADP-Glo Reagent, followed by centrifugation and lidding. After 60 min incubation, 2 μL/well Promega Kinase Detection Reagent was added, plates centrifuged, and incubated for 30 min. Plates were then read using Luminescence method on BMG PHERAstar FSX plate reader.
12991	1	Fluorescence Polarization (FP) Assay	The FP assay uses a tetrapeptide with a sequence arginine-isoleucine-phenylalanine-serine (RIFS) with fluorescein attached to the C-terminus as tracer that was previously shown to bind to the Ubr-boxes of Ubr1 and Ubr2 with similar binding affinity. Assays were developed in 384-well plates, which were read on a Clariostar Reader. Signal-to-background ratio (S/B) was optimized by varying concentrations of GST-Ubr-box and tracer concentrations. GST-fusion proteins were used due to its larger size than Ubr-box alone to increase the FP effect. Purified GST was used to ensure that the tracer does not bind to the GST portion of the fusion protein. The optimized condition includes receptor concentration [GST-UBR1]=2 μM, tracer concentration [tracer]=9 nM, and the highest concentration of unlabeled peptidomimetic compound competitors at 200 μM with 3× serial dilutions. Effective displacement of tracer by unlabeled tetrapeptide confirmed that the fluorescein tag did not significantly alter the binding mode of tracer.
12992	1	Biological Assay	KAT2A/B Assay Protocol:A) Compound preparation1) Prepare 10 mM stock solutions in 100% DMSO from solid material.2) Serial dilute 10 mM, 1 mM, 0.1 or 0.01 mM compound stocks 3-fold in 100% DMSO for 11-point dose response.B) Reagent preparation1) Prepare 1×assay buffer containing 40 mM bis tris propane pH 8.0, 10 mM NaCl, 0.5 mM EDTA, and 0.002% Tween-20.2) Dilute Histone peptide (CPC Scientific) and KAT enzyme together in assay buffer to 1.25×.3) Dilute AcCoA (Sigma) in assay buffer to 5×.C) Enzyme reaction1) Final reaction conditions for each KAT assay in a 100ul assay reaction volume:i) KAT2A 0.5 nM, 1 uM AcCoA, 5 uM H3 1-21 peptide, 90-minute reactionii) KAT2B 0.5 nM, 1 uM AcCoA, 5 uM H3 1-21 peptide, 90-minute reaction2) Add 2 ul of diluted compound series to the assay plate (96-well round-bottom polypropylene plates) or 2 ul of DMSO for control wells.3) Add 11 μL of 10% formic acid to 100% effect (HPE) control wells.4) Add 80 ul of 1.25× Histone peptide/KAT mix to the assay plate via Multidrop Combi (ThermoFisher). Incubate 15 min at room temperature.5) Add 20 ul of 5× AcCoA to the assay plate via Multidrop Combi.6) Stop the reaction after the indicated time with the addition of 11 ul of 10% formic acid via Multidrop Combi.7) Each reaction was analyzed using Rapid Fire mass spectrometry platform. This methodology leverages an Agilent 6495 triple quadrupole (QQQ) mass spectrometer coupled to a RapidFire model 365 to specifically capture and measure KAT2 acetyltransferase activity, converting AcCoA (substrate) to CoA (product).D) Rapid Fire Settings1) Pump1: 6 mM octylammonium acetate, flow rate: 1.5 ml/min; Pump2: 25% acetonitrile, 25% acetone, flow rate: 0.8 ml/min; Pump3: 25% acetonitrile, 25% acetone, flow rate: 0.8 ml/min2) Aspirate 600 ms; Load Time 4500 ms; Elute Time 8000 ms; Re-equilibrate 600 ms3) Area under the curve (AUC) for both substrate and product peaks was determined for KAT2 at M.W. 809.6 [Substrate+H]+ and 767.3 [Product+H]+ with a +/−1 Da tolerance, respectively.
12993	1	SSTR4 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR4	Test compounds are suspended in DMSO and then diluted in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, 1 mM CaCl2, 0.5% BSA) plus 0.2 nM I-125 labeled somatostatin (Perkin Elmer catalog number NEX389). Fifty L of compound/I-125 somatostatin in assay buffer are added per well to 96-well poly-propylene plate. Then 1 μg of SSTR4 membranes in 50 μL assay buffer are added per well. The Plate is incubated for 60 minutes at room temperature. FilterMat A filters (Perkin Elmer catalog number 1450-421) are pre-soaked in 0.5% PEI (Sigma catalog number P3143). The contents of the assay plate are transferred to filters with a TomTech harvester and washed 5 times with 20 mM HEPES, 100 mM NaCl. The filters are dried in a microwave oven then transferred to sample bag containing a scintillator sheet (Perkin Elmer catalog number 1450-441). The scintillator sheets are melted to filters using a heat block. The filters are then read in a MicroBeta scintillation counter. Binding Ki curves are generated using Activity Base for Screening Data Management and the results are reported as pIC50.
12993	2	SSTR1 I-125 Somatostatin Competition Binding Assay for Selectivity Versus SSTR1	Test compounds are suspended in DMSO and then diluted in assay buffer (25 mM HEPES pH 7.4, 10 mM MgCl2, 1 mM CaCl2, 0.5% BSA) plus 0.4 nM I-125 labeled somatostatin (Perkin Elmer catalog number NEX389). Fifty μL of compound/I-125 somatostatin in assay buffer are added per well to 96-well poly-propylene plate. Then 10 μg of SSTR1 membranes in 50 μL assay buffer are added per well. The plate is incubated for 60 minutes at room temperature. FilterMat A filters (Perkin Elmer catalog number 1450-421) are pre-soaked in 0.5% PEI (Sigma catalog number P3143). The contents of the assay plate are transferred to filters with a TomTech harvester and washed 5 times with 20 mM HEPES, 100 mM NaCl. The filters are dried in a microwave oven then transferred to sample bag containing a scintillator sheet (Perkin Elmer catalog number 1450-441). The scintillator sheets are melted to the filters using a heat block. The filters are then read in a MicroBeta scintillation counter. Binding Ki curves are generated using Activity Base for Screening Data Management and the results are reported as pIC50.
12994	1	UDP-Glo Glucosylceramide Synthase Biochemical Assay	Using Promega&#39;s UDP-Glo™ Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by detecting the amount of UDP produced. An aliquot of GCS enzyme (1.5 μg crude golgi preparation, total protein) and titrated test compound were aliquoted to each well and incubated for 30 minutes at room temperature. Substrate mixture was prepared by mixing C6 ceramide (Avanti Polar Lipids, Alabaster, AL USA (Avanti)) (micelles prepared at 0.6 mM in 0.6 mM DOPC) and UDP-glucose (20 μM; Promega), at concentrations equivalent to 2×Km, in assay buffer (25 mM HEPES (pH 7.5), 50 mM KCl, 5 mM MgCl2). An equivalent volume of substrate mixture was then added to each well. Following a 20 h incubation at room temperature to allow for GCS turnover of substrate, an equal volume of UDP detection reagent (Promega) was added to each well and incubated for an additional 75 minutes at room temperature to simultaneously convert the accumulated UDP product into ATP and generate light in a luciferase reaction. The generated light was detected using a luminometer.Random luminescence values (RLUs) were normalized to mean “min” and “max” effects, as determined on each plate. “Min” was defined as the mean of the values of the wells treated with vehicle (DMSO) and which represent 0% inhibition; “max” was defined as the mean of the values of the wells treated with a reference inhibitor and which represent the 100% effect.
12995	1	Chk1 and Chk2 Inhibitory Activity Assay	The compounds of Examples 1 to 66 were diluted at various concentrations and transferred to a 384-well plate by 5 μl, and 10 μl of a mixed solution (2×) of Chk1 kinase (Thermo, P3040) or Chk2 kinase (Thermo, PV3367) and a substrate (Thermo, PV3508) was added to wells treated with the compounds. 5 μl of an ATP solution at a 4× concentration was added to the test well and reacted at room temperature for 1 hour. 20 μl of LanthaScreen Terbium-CREB p-Ser 133 antibody (Thermo, PV3542) was added to the reaction well and incubated at room temperature for 30 minutes. Conversion data was measured by an EnVision 2014 multi label reader (PerkinElmer). The activity for each concentration was determined by the ratio (FRET ratio=FR) of the value obtained by dividing the value at 520 nm by the value at 490 nm among the emission wavelength values for each wavelength (Em520/Em490). The results obtained for each concentration of the compounds were the average values obtained in two wells, and the IC50 values of the compounds were calculated using PRIZM software for analysis of the results
12996	1	Activity Detection Test of DPP1 Enzyme In Vitro	Recombinant human DPP1 enzyme (R&D Systems, Cat. No 1071-CY) with a final concentration of 100 μg/mL and recombinant human cathepsin L (R&D System, Cat. No 952-CY) with a final concentration of 20 μg/mL were mixed, and then incubated at room temperature for 1 hour, to activate DPP1 enzyme. The activated DPP1 enzyme was diluted 100 times, and 5 μL of different concentrations of compounds and 5 μL of the diluted DPP1 enzyme were added to a 384-well plate, and incubated at room temperature for 30 minutes. After adding 10 μL of the substrate Gly-Arg-AMC (bachem, Cat. No I-1215) with a concentration of 20 M, it was continued to incubate at room temperature for 60 minutes
12997	1	CSNK1A1-Inhibitory Activity Assay (Low ATP)	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 μM=>final conc. in the 5 μL assay volume is 1 μM) and peptide substrate (50 μM=>final conc. in the 5 μL assay volume is 30 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentrations are about 0.0375 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to CAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
12997	2	CSNK1D-Inhibitory Activity Assay	For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1D in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 μM=>final conc. in the 5 μL assay volume is 1 μM) and peptide substrate (50 μM=>final conc. in the 5 μL assay volume is 30 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1D was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.5 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to CAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1D.
12997	3	CSNK1G3-Inhibitory Activity Assay	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white 1536-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1G3 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 M=>final conc. in the 5 μL assay volume is 1 M) and peptide substrate (50 μM=>final conc. in the 5 μL assay volume is 30 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1G3 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.06 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to CAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1G3.
12997	4	CSNK1A1-Inhibitory Activity Assay (High ATP)	For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a white low volume 384-well microtiter plate (Greiner Bio-One, Frickenhausen, Germany), 2 μL of a solution of CSNK1A1 in aqueous assay buffer [50 mM HEPES pH 7.5, 10% (v/v) glycerol, 10 mM MgCl2, 50 mM NaCl, 1 mM dithiothreitol, 0.01% (w/v) bovine serum albumin, 0.01% (v/v) Triton X-100] were added and the mixture was incubated for 15 min at 22° C. to allow pre-binding of the test compounds to the enzyme before the start of the kinase reaction. Then the kinase reaction was started by the addition of 3 μL of a solution of ATP (1.67 mM=>final conc. in the 5 μL assay volume is 1 mM) and peptide substrate (167 μM=>final conc. in the 5 μL assay volume is 100 μM) in assay buffer and the resulting mixture was incubated for a reaction time of 30 min at 22° C. The concentration of CSNK1A1 was adjusted depending of the activity of the enzyme lot and was chosen appropriate to have the assay in the linear range, a typical concentration is about 0.4 ng/μL. The reaction was stopped by the addition of 2.5 μL of “ADP-Glo-reagent” (1:1.5 fold diluted with water) and the resulting mixture was incubated at 22° C. for 1 h to convert the ATP not consumed in the kinase reaction completely to CAMP. Subsequently 2.5 μL of the “kinase detection reagent” (1.2 fold more concentrated than recommended by the producer) were added, the resulting mixture was incubated at 22° C. for 1 h and then the luminescence measured with a suitable measurement instrument (e.g. Viewlux™ from Perkin-Elmer). The amount of emitted light was taken as a measure for the amount of ADP generated and thereby for the activity of the CSNK1A1.
12998	1	AlphaLISA Assay	The means the half maximal inhibitory concentration of compound that inhibits CUL4A and DDB1-BPB binding. Our lab established and optimized 384 well-based AlphaLISA in vitro binding assay for testing small molecule inhibitory activity. Small molecule libraries were screened for compounds that disrupt CUL4A-DDB1-BPB interaction using AlphaScreen detection beads (PerkinElmer, #AL112C and #6765300) following the manufacturer&#39;s protocol (https://www.perkinelmer.com/PDFs/downloads/GDE-Alphatech.pdf, hereby incorporated by reference in its entirety for all purposes). The 384-well assay plates (Greiner Bio-one, #781075) were read in Synergy Neo2 Hybrid Multi-Mode Reader (BioTek). The IC50 was calculated by Prism 8 XY analysis nonlinear regression (curve fit-Log(inhibitor) vs response).
12998	2	Surface Plasmon Resonance (SPR)	To assess the interaction between DDB1-BPB and compounds, a multi-parametric SPR instrument (BioRad ProteON XPR360) was used. DDB1-BPB was immobilized onto the GLH sensor surface in a variety of ways as follows: flow channels were activated in parallel with 1/20 diluted EDC/SNHS. DDB1-BPB was diluted to 0.1 mg/mL in sodium acetate pH 4.5 and directly coupled onto channel for 4 min. Excess reactive esters were blocked with a 5-min injection of 1 M ethanolamine. Mean immobilization levels were 17,000 RU with <2% variation along a strip. One channel was left unmodified to provide an additional reference surface. Next, the binding kinetics of compounds on surfaces was determined in a single injection using a “one-shot” kinetic mode. Typically, compound was prepared as a twofold serial dilution (0, 3.125, 6.25, 12.5, 25, 50 μM) and injected for 60 s at 100 L/min. Dissociation was monitored for 800 s. Surfaces were regenerated with multiple 30-s pulses of 60 mM phosphoric acid so that the experiment could be reproduced.
12998	3	Microscale Thermophoresis (MST)	Kd represents dissociation constant, which measures the affinity of small molecule binding to the scaffold DDB1-BPB by Microscale Thermophoresis (MST) (see Table 1, column 9). MST experiments were performed on a Monolith NT 115 system (Nano Temper Technologies, Munich, Germany) using 100% LED and 60% IR-laser power (https://physiology.case.edu/media/eq manuals/eq_manual_nano-temper_mst_starting_guide.pdf, hereby incorporated by reference in its entirety for all purposes). The labeling of DDB1-BPB (10 M) was performed in labeling buffer with NHS-Red reactive dye (30 μM) (Nanotemper), which reacts efficiently with the primary amines of the proteins to form a stable dye protein conjugates. The labeling reaction was carried out at RT. A 16-point serial dilution (1:1) was prepared for compound at the final concentration ranged from 200 M to 3 nM in PBS containing 0.05% tween. The samples were filled into Premium capillaries and measurements were conducted at 25° C. An equation implemented by the software MO-S002 MO Affinity Analysis, provided by the manufacturer, was used for fitting normalized fluorescence values at different concentrations of ligands.
12999	1	HTRF Biochemical Assay for CBP Activity	The assay was performed in a final volume of 6 μL in assay buffer containing 50 mM Hepes (pH 7.5, (0.5M Hepes, pH 7.5 solution; Teknova H1575)), 0.5 mM GSH, 0.01% BGG (0.22 p M filtered, Sigma, G7516-25G), 0.005% BSA (0.22 μM filtered, EMD Millipore Corporation, 126575) and 0.01% Triton X-100 (Sigma, T9284-10L). Nanoliter quantities of 10-point, 3-fold serial dilution in DMSO were pre-dispensed into 1536 assay plates (Corning, #3724BC) for a final test concentration of 33 μM to 1.7 nM, top to lowest dose, respectively. 3 μL of 2×Protein and 3 μL of 2×Peptide Ligand were added to assay plates (pre-stamped with compound). Plates were incubated for varying times at room temperature prior to measuring the signal. TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) was measured on the PHERAstar (BMG, equipped with HTRF optic module [337/520/490]) or on the Envision (PerkinElmer, equipped with the TRF Laser unit, TRF dual mirror D400/D505 and emission filters M520 and M495).
13000	1	PKMYT1 HTRF Assay	Compound serial dilution was performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of tracer solution (Tracer 178) was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 5 μL GST-Tb was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 15 minutes at 25° C. The assay plate was read on Envision.
13000	2	WEE1 ADP-Glo Assay	Compound serial dilution is performed by Echo, and the final concentrations vary from 10 μM to 0.5 nM. This was filled by the addition of 5 μL/well of Enzyme solution to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 minute, and incubate 15 minutes at 25° C. Then 5 μL/well of substrate solution was added to initiate the reaction, and incubate for 60 minutes at 25° C. Next 10 μL kinase detection reagent was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 minute, and incubate for 60 minutes at 25° C. The assay plate was read on Envision for US LUM as RLU.
13001	1	In Vitro Activity Assay	(1) Preparation of a reaction buffer (1×Stimulation buffer) required for the experiment: The 5×Stimulation buffer and ddH2O in the Cisbio IP-one kit were diluted in a ratio of 1:4 for later use.(2) Compound preparation: The compound was diluted with DMSO to obtain a 5 mM stock solution, followed by a 3.16-fold dilution to obtain 10 gradients, and then the prepared compound was diluted with the Stimulation buffer to the corresponding concentrations (4×) for later use.(3) Cell preparation: CHO-K1-OX1 and CHO-K1-OX2 cells on the culture dish were digested with trypsin, and the cells were washed off with culture medium and collected into 5 mL centrifuge tubes. The cells were centrifuged at 1000 rpm for 5 min, and the supernatant was discarded. 3 mL of PBS was added, and the mixture was gently pipetted to be mixed well. The cells were centrifuged again at 1000 rpm for 5 min, and the supernatant was discarded. The cells were resuspended in 1×Stimulation buffer and counted using a Countstar cell counter, and the cell density was adjusted to 1.71×106 cells/mL for later use.(4) Cell addition: The cell suspensions were added to assay plates at 7 μL/well (i.e., about 12,000 cells/well).(5) Compound addition: The compound diluted with the Stimulation buffer was added to the assay plates described above at 3.5 μL/well.(6) Reaction and incubation: After gentle shaking, the assay plates were incubated at 37° C. for 30 min.(7) EC80 agonist addition: 4×Orexin A (OX1 receptor) and 4×Orexin 2 receptor agonist (OX2 receptor) solutions of EC80 were added at 3.5 μL/well.(8) Reaction and incubation: After gentle shaking, the assay plates were incubated at 37° C. for 45 min.(9) Detection reagent addition: IP1-d2 and Anti-IP1 cryptate were separately diluted in a 1:20 ratio with the Lysis & detection buffer in the Cisbio IP-one detection kit, and the diluted IP1-d2 and Anti-IP1 cryptate described above were added to the assay plates, each at 3 μL/well. After shaking, the assay plates were left to stand at room temperature for 60 min.(10) Experimental readings: The plate was read on Envision, readings from the 665 nm and 615 nm channels were taken, and the ratio of 665 nm/615 nm readings was calculated.
13002	1	Inhibition Test of 3CL Protease by Some Compounds of the Invention	The fluorescence resonance energy transfer method reported in the literature is adopted (J in et al 0.2020. Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582: 289-293), the enzyme inhibitory activity of the compound is determined. The catalytic activity and initial rate of 3CL enzyme are determined by enzyme kinetics using commercially available fluorescence-labeled polypeptide MCA-AVLQSGFR-Lys (Dmp)-Lys-NH2 as substrate (GLBiochem, Shanghai). The incubation system contained 3CL protease of 2019-nCoV (0.2 μM), fluorescently labeled peptides (20 μM) and a series of concentrations of compounds to be tested (0-20 μM). The fluorescence intensity of the system during incubation for 2-3 minutes is measured by enzyme marker, and the excitation wavelength and detection wavelength are 320 mm and 405 mm, respectively. According to the change rate of the initial velocity of substrate Hydrolysis catalyzed by enzyme after the addition of inhibitor, the enzyme inhibition rate of the tested substance at different concentrations was calculated. All experiments are repeated three times, and IC 50 values of inhibitory enzymes are calculated by Prism5 software.
13003	1	ARM-SAM-TIR IC50 Assay	The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco&#39;s PBS buffer in a final assay volume of 20 μL. ARM-SAM-TIR lysate with a final concentration of 5 μg/mL was pre-incubated with the respective compound at 1% DMSO final assay concentration over 2 h at room temperature. The reaction was initiated by addition of 5 μM final assay concentration of NAD+ as substrate. After a 2 hr room temperature incubation, the reaction was terminated with 40 μL of stop solution of 7.5% trichloroactetic acid in acetonitrile. The NAD+ and ADPR concentrations were analyzed by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, Calif.) using an API4000 triple quadrupole mass spectrometer (AB Sciex Framingham, Mass.).
13004	1	Inhibitory Activity Against KHK Kinase In Vitro	1) The present compounds and the control drug were formulated in DMSO to 10 mM as stock solutions for test.2) The stock solutions of the compounds of the present invention and the control drug were diluted by 10-fold to 1 mM, and then further diluted in a 3-fold gradient to 11 concentrations, with the highest concentration being 1 mM.3) 0.1 μL of the compounds of the present invention and the control drug as diluted was transferred with Echo550 to a 384-well plate, in duplicate per concentration, and centrifuged at 1000 rpm for 1 min.2. Enzyme Reaction Test1) 5 μL of KHK-C kinase working solution was added to the 384-well plate, centrifuged at 1000 rpm for 1 min, and incubated at room temperature of 25° C. for 15 min.2) 5 μL of the substrate working solution was added to the 384-well plate to initiate the kinase reaction, centrifuged at 1000 rpm for 1 min, and incubated at room temperature of 25° C. for 60 min.3) The final concentrations of the KHK-C kinase reaction were 1 nM for KHK-C, 100 μM for ATP, 200 μM for D-Fructose, 50 mM for HEPES, 10 mM for MgCl2, and 0.01% for Brij35, and the final concentration of DMSO was 1%.4) The final concentrations of the test compounds and the control drug were 10000 nM, 3333.33 nM, 1111.11 nM, 370.37 nM, 123.457 nM, 41.15 nM, 13.71 nM, 4.572 nM, 1.524 nM, 0.508 nM, and 0.169 nM, respectively.3. Reaction Termination and Detection1) The 384-well plate was added with 10 μL of the ADP Glo reagent, centrifuged at 1000 rpm for 1 min, and then incubated at room temperature of 25° C. for 40 min.2) The 384-well plate was added with 20 μL of the kinase detection reagent, centrifuged at 1000 rpm for 1 min, and then incubated at room temperature of 25° C. for 40 min.3) After the reaction was completed, the fluorescence value LUM was read on Envision.4. Data AnalysisThe following equation was used to calculate the inhibition (% inh):inhibition⁢(%)=100⁢%×LumHC-LumCPDLumHC-LumLCwherein,
13005	1	HDAC Inhibition Assays	The HDAC 1, 2 assays employed buffer A, which contained 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.05% BSA. The HDAC3/SMRT assay employed buffer B, consisting of 20 mM HEPES, pH 8.0, 1 mM MgCl2, 50 mM NaCl, 2.7 mM KCl, 0.05% BSA, 0.005% Tween 20, and 10 μM IP4. The HDAC6 assay employed buffer C, consisting of 20 mM HEPES, pH 8.0, 1 mM MgCl2, 137 mM NaCl, 2.7 mM KCl, 0.5 mM TCEP (Calbiochem) and 0.05% BSA. The HDAC8 assay employed buffer D, consisting of 20 mM HEPES, pH 8.0, 1 mM MgCl2, 100 mM NaCl, 20 mM KCl, 0.1% n-octyl-β-D-glucoside (Anatrace) and 0.05% BSA. All steps were performed at room temperature (23° C.). The assay was performed by pre-incubating serial dilutions of test compounds with the target HDAC prior to initiation with substrate. Each compound was titrated in a 10-point dose response, using a 1:3 fold dilution scheme, with 0.15 ul of solution added by ECH0555 to the plate, followed by the addition of 20 μl of the appropriate HDAC isoform diluted in appropriate assay buffer. The incubation was allowed to proceed for 3 hours, then the appropriate substrate diluted in assay buffer (final substrate concentration ˜Km) was added and the reaction allowed to proceed for 60 min. 
13006	1	hCTPS1 Biochemical Assay	Purified human CTPS1 protein was prepared in 1× assay buffer to the final working protein concentration required for the reaction. A 2.5 uL volume per well of human CTPS1 protein was mixed with 0.1 uL per well of test compound dissolved in DMSO and pre-incubated at 25 degrees C. for 10 minutes. 2.5 uL per well of the reaction precursors ATP (UltraPure ATP from ADP-Glo™ kit) and UTP were then added and pre-incubated for an additional 10 minutes at 25 degrees C. Finally, the reaction was initiated by the addition of 5 uL of the reaction precursors L-glutamine and GTP. The final concentration of all reaction components in the assay: ATP (120 uM), UTP (160 uM), GTP (60 uM), L-Glutamine (100 uM), DMSO (1%), hCTPS1 (25 nM). This mixture was incubated for an appropriate amount of time within the determined linear phase of the reaction at 25 degrees C. under sealed plate conditions with constant agitation at 500 revolutions per minute (rpm). ADP-Glo™ reagent was added for 60 minutes (10 uL per well) and subsequently ADP-Glo™ development reagent was added for 60 minutes (20 uL per well) prior to signal detection in a microplate reader (Envision Multilabel Reader, Perkin Elmer). Following each reagent addition over the course of the assay, assay plates were pulse centrifuged for 1 minute at 1000 rpm.
13007	1	PERK In Vitro Activity Assay	In vitro Inhibition of PERK Enzyme Activity (isolated) Recombinant human EIF2AK2 (PKR) catalytic domain (amino acids 252-551), EIF2AK3 (PERK) catalytic domain (amino acids 536-1116), GFP-eIF2a substrate, and Terbium-labelled phospho-eIF2a antibody is obtained (Invitrogen, Carlsbad, CA).Express and purify HIS-SUMO-GCN2 catalytic domain (amino acids 584-1019) from E. coli. Perform TR-FRET kinase assays in the absence or presence of inhibitors in a reaction buffer consisting of 50 mM HEPES, pH 7.5, 10 mM MgCb, 1.0 mM EGTA, and 0.01% Brij-35, and 100-200 nM GFP-eIF2a substrate. PKR assays contain 14 ng/mL enzyme and 2.5 μM ATP (Km, −2.5 μM), PERK assays contain 62.5 ng/mL enzyme and 1.5 μM ATP (Km. app −1.5 uM), and GCN2 assays contain 3 nM enzyme and 90 μM ATP (Km, −200 uM). Add test compound, initiate the reaction by addition of enzyme, and incubate at room temperature for 45 minutes. Stop the reaction by addition of EDTA to a final concentration of 10 mM, add Terbium-labelled phospho-eIF2a antibody at a final concentration of 2 nM, and incubate for 90 minutes. Monitor the resulting fluorescence in an EnVison® Multilabel reader (PerkinElmer, Waltham, MA). Determine TR-FRET ratios and the resulting IC50 values using a 4-parameter nonlinear logistic equation as shown: Y=(A+((B−A)/(1+(C/x)AD)))) where, Y=% specific inhibition, A=Bottom of the curve, B=Top of the curve, C=absolute IC50 (concentration causing 50% inhibition), and D=hill slope.
13008	1	TR-FRET Assay	Compound Preparation. Dissslove the compounds into DMSO solution to make 10 mM DMSO stock. Serially dilute the stock solution from highest concentration down to lowest in DMSO to make the compound stock plate (100× stock plates). To make 5× compound intermediate plate, add 38 μL of assay buffer (50 mM HEPES, pH 7.5, 0.05 mg/mL BSA, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween-20, 2 mM DTT) into each well of the V-bottom plate; then transfer 2 μL of the stock compound solution of each concentration from the compound stock plate (100× stock), and mix well. Enzyme reaction. Transfer 2 μL compound from 5× intermediate plate into assay plate, then add 4 μL/well 2.5× Enzyme mix to assay plate, incubation for 10 min at room temperature. For positive control wells, add 4 μL/well assay buffer instead of Enzyme mix. Then add 4 μL/well 2.5× Substrate mix to assay plate, and incubation at 25° C. for 30 min at room temperature. After reaction, 10 μL 2× Detection mix (final 15 mM EDTA, 1× LANCE Detection Buffer, 0.5 nM Detection antibody) was added and incubated for 1 h prior to detection with excitation and emission at 320 and 665 nm (Tecan Spark® TR-FRET mode Tecan). Detail information of enzyme, substrate, detection antibody is listed in the following table.
13009	1	In Vitro Biochemical Kinase Assay	In vitro biochemical kinase assays were done using recombinant human EPHA2. compounds were subjected to in vitro biochemical kinase assays done using recombinant human ephrin type-A receptor 2 (EPHA2) (expressed in insect cells) in a Z′-LYTE® FRET-based kinase assay.
13010	1	Measurement of Human H-PGDS Binding Inhibitory Activity	The H-PGDS binding inhibitory activity of the test compound was measured by AlphaLISA antagonistic assay. A specific protocol is as follows.  In an AlphaPlate-384 Shallow well plate (Cat. 6008350, PerkinElmer) were added and mixed 240 nL/well of DMSO solution as a compound solution or a solvent control, 3 L/well (final concentration: 45 nmol/L) of biotinylated H-PGDS inhibitor (see below for the production method) diluted with 2 A(v/v) DMSO-containing Assay Buffer (50 mM HEPES-NaOH (pH 7.5), 2 mM GSH, 150 mM NaCl, 2 mM MgCl2, 0.005% Surfactant P20), and 2 μL/well (final concentration: 0.3 nmol/L) of His-tagged human H-PGDS (Cat. ATGP1557, ATgen) diluted with Assay Buffer. As a blank, 2 μL/well of Assay Buffer was added instead of His-tagged human H-PGDS. This plate was allowed to stand at room temperature for 60 min, and Nickel Chelate AlphaLISA Acceptor Beads (Cat. AL108C, Perkin Elmer) at 5 μL/well (final concentration: 20 μg/mL) were added and mixed. After allowing to stand at room temperature for 30 min under shading, AlphaScreen Streptavidin donor beads (Cat. 6760002S, Perkin Elmer) were added at 5 μL/well (final concentration: 30 μg/mL) and mixed. After allowing to stand at room temperature for 60 min under shading, AlphaLISA signals (excitation wavelength: 680 nm, measurement wavelength: 615 nm) were measured using Enspire (Perkin Elmer).
13012	1	Polθ Polymerase Domain Enzyme Inhibition	In the assay, Polθ interacts with the substrates (deoxy thymidine triphosphate (dTTP) (Sigma, product code T0251) and a DNA template with a 17-nucleotide overhang (Eurogentec, custom creates order), and PPi is formed due to the polymerase reaction. This free PPi interacts with AMP, to generate the ATP used in the luciferase reaction in the production of light. The test compound competitive binding inhibits the polymerase reaction, resulting in the loss of luminescence.The assay was performed as follows with all reagent additions carried out using a CERTUS FLEX liquid dispenser workstation:Test compound (15 nL) was acoustically dispensed into Greiner 1536 well white small volume medium bind assay plates.1X assay screening buffer (50 mM Tris pH7.5, 5 mM MgCl2, 0.01% v/v Pluronic F127, 2 mM DTT, 0.05 mg/ml BSA) is prepareddTTP/DNA (1.5 μL) was dispensed of into each of the wells followed by 1.5 μL of Polθ, the plates are covered and the reaction is allowed to progress for 20 minutes at room temperature.To quench, TFA (0.5 μL) was dispensed into the wells, then 2.0 μL of PPiLight reagent was dispensed into each well and incubated at room temperature for 1 hour.Plates were then read on an EnVision plate reader for luminescence 400-700 nm.Compounds were dosed directly from a compound source plate containing serially diluted compounds (4 wells containing 10 mM, 0.1 mM, 1 μM and 10 nM respectively) to an assay microplate using a labcyte ECHO 550 liquid handler. The ECHO 550 using acoustic technology to transfer between microplates of DMSO compound solutions, with the system being able to be programmed to transfer small nL volumes of compounds from different source plate wells to give serial dilutions for the compounds to be tested and backfilled to normalise the DMSO concentration across the dilution range.
13013	1	Binding Affinity Assay	Binding affinities for fentanyl derivatives 1 and 6a-e at KOR, MOR, and DOR were determined by competitive displacement of [3H] diprenorphine as previously reported. In a 96-well plate, cell membranes (10-20 μg of protein) and [3H] diprenorphine (0.2 nM) were shaken in Tris-HCl buffer (50 mM, pH 7.4) with various concentrations of test compound at room temperature for 1 h, allowing the mixture to reach equilibrium. Nonspecific binding was determined using the opioid antagonist naloxone (10 μM), and total binding was determined using vehicle in the absence of competitive ligand. After incubation, membranes were filtered through Whatman GF/C 1.2 μm glass fiber filters and washed with 50 mM Tris-HCl buffer. The radioactivity remaining on the filters was then quantified by liquid scintillation counting in a PerkinElmer Microbeta 2450 after saturation with EcoLume liquid scintillation cocktail. Binding affinity (Ki) values were calculated via “One-site-Fit Ki” nonlinear regression analysis using GraphPad Prism software from at least three independent binding assays performed in duplicate.
13014	1	Enzyme Activity (EC50) Analysis Assay	In order to confirm the PPARδ activation effect of the example compounds, the following experiment was performed. First, the example compounds were diluted in DMSO to 100× based on the final concentration, then 1/50 was diluted in assay buffer, and 10 μL of each was added to a 384 well plate. Afterwards, GST-conjugated PPARδ ligand-binding domain (LBD) was added to a final concentration of 5 nM, and fluorescien-conjugated C33 coactivator peptide and Tb-α-GST antibody were added to a final concentration of 100 nM and 10 nM, respectively. The final volume of each test system was set to 20 μL, and the test for each concentration was repeated twice, and the binding activity after reaction was measured by TR-FRET method. In other words, after excitation at 340 nm and measurement of emission values at 495 nm and 520 nm, the results were analyzed using the measured value at 490 nm/measured at 520 nm, and the analysis program Prism 6 was used to calculate the EC50 value.
13015	1	In Vitro Radioligand Binding Assay	The affinity (Ki) of compounds for the benzodiazepine site of human recombinant GABAARs was measured by their ability to inhibit the binding of the selective benzodiazepine antagonist [3H]Ro15-1788 ([3H] flumazenil).Mouse L(tk−) cells stably expressing human α1β3γ2, α2β3γ2, α3β3γ2, α5β3γ2 GABAARs were generated by transfection of the individual subunits in the dexamethasone-inducible expression vector pMSGneo in mouse L(tk−) cells (Hadingham et al., 1993, Mol. Pharmacol. 43:970-975 and 1993, Mol. Pharmacol. 44:1211-1218).L(tk−) cells stably expressing human α1β3γ2, α2β3γ2, α3β3γ2, α5β3γ2 GABAARs were maintained in DMEM F12 medium supplemented with 10% Foetal Bovine Serum, 1% Penicillin/Streptomycin and 1 mg/mL Geneticin G418 in an incubator at 37° C. with a humidified atmosphere with 5% CO2. Dexamethasone was added to the culture medium to induce GABAAR expression.L(tk−) cells were harvested and membranes were prepared for each receptor combination in either TE buffer (10 mM Tris·CI/0.1 mM EDTA, pH 7.5) or phosphate buffer (K2PO4 10 mM, pH 7.0) (Hadingham et al. (1992) Proc. Natl. Acad. Sci. USA; 89 (14): 6378-82)
13016	1	HDAC6 and HDAC8 Inhibitory Activity Assay	2×HDAC enzymes were dispensed in each well of the reaction plate except for the control well without HDAC enzyme, and buffer was dispensed in the control well without the enzyme. Using acoustic technology (Echo550, nanoliter range), compounds dissolved in 100% DMSO were added to the enzyme mixture, spun down, and pre-cultured at room temperature for 10 minutes. All reaction wells were placed with a 2× substrate mixture (fluorogenic HDAC substrate) to initiate the reaction and then spun down. Culture was performed at 30° C. for 1 hour for HDAC6 and 2 hours for HDAC8. Afterwards, a developer was added along with trichostatin A to halt the reaction and develop fluorescence. Dynamics measurements were performed with Envision (Ex/Em=360/460 nm) for 20 minutes with 5-minute intervals, and values from endpoint reading were taken for analysis after the phenomenon reached a plateau.
13017	1	PIKfyve Inhibitory Activity Assay	PIKfyve Biochemical Assay. The biochemical PIKFyve inhibition assays were run by Cama Biosciences according to proprietary methodology based on the Promega ADP-Glo™ Kinase assay. A full-length human PIKFYVE [1-2098(end) amino acids and S696N, L932S, Q995L, T998S, S1033A and Q1183K of the protein having the sequence set forth in NCBI Reference Sequence No. NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKFYVE was purified by using glutathione sepharose chromatography and used in an ADP-Glo™ Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4× final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADP-Glo™ reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 μM to 3 nM. Data was analyzed by setting the control wells (+ PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration versus percent inhibition curves by fitting to a four-parameter logistic curve.
13017	2	PIKfyve EEA1 Assay	Genetic or pharmacological disruption of PIKfyve activity results in enlargement of endosomal vesicles. This enlargement was utilized as a surrogate readout of PIKFyve inhibition for routine triage of PIKfyve inhibitors. U2OS cells grown in 96-well assay plates were treated with compound diluted in DMEM media containing 10% fetal bovine serum. After 3 hours of treatment, cells were fixed with paraformaldehyde, permeabilized with 0.2% Triton-X in phosphate buffered saline and stained against EEA1. During the secondary antibody staining, cells were also stained with CellMask™ Deep Red and Hoechst to detect cytoplasms and nuclei respectively. Endosomal structures were visualized using a high content imager at 40× magnification. Images were analyzed using a linear classifier algorithm integrating EEA1 spot size, intensity and texture trained on images of cells treated with the potent reference compound APY0201. Compound activity was calculated by subtracting the DMSO signal and calculating percentage activity relative to maximal APY0201 activity. IC50 values were then calculated from concentration versus percent inhibition data by logistic regression.
13018	1	KIF18A Enzyme Assay	KIF18A enzyme assay: The enzymatic activity of KIF18A after treatment with the compounds was measured by an assay of microtubule-stimulated ATPase activity. ADP generated from the ATPase reaction was measured in this assay. The compounds were serially diluted 2-fold in DMSO over a range of 22 concentration points. Recombinant human KIF18A (1-467His-tagged) protein was expressed using a baculovirus system. Concentrations of KIF18A protein, microtubules, and ATP in the reaction were optimized for a standardized homogenous enzyme assay using an ADP-Glo kinase/ATPase assay kit. A reaction buffer [(15 mM Tris, pH 7.5), 10 mM MgCl2, 0.01% PluronicF-68, 1 μM paclitaxel, and 30 μg/mL pig microtubules] was prepared. The compounds and KIF18A protein (30 nM) were added to the prepared reaction buffer, and the reaction mixture was incubated at room temperature for 15 min, followed by addition of ATP (Km, 75 μM). The resulting reaction mixture was incubated at room temperature for another 15 min. 5 μL of ADP-Glo reagent and 2.5 μL of the reaction mixture were mixed and the resulting mixture was incubated at room temperature for 40 min. 10 μL of ADP-Glo detection reagent was added and the mixture was incubated at room temperature for 40 min. Luminescence was measured using a microplate reader and compared with that of the DMSO group, and then the inhibition percentages and IC50 values of the compounds were calculated.
13019	1	Inhibitory Activities of Compounds of the Present Disclosure Against RIPK1 Kinase (ADP-Glo Method)	The ADP GLO method was used for detecting the inhibitory activities of the compounds of the present disclosure against RIPK1 kinase. The method is specifically as follows:1. Reagents and Instruments1) RIPK1 kinase reaction system (containing RIPK1 kinase, MBP, 5× reaction buffer, MnCl2 and DTT) (Promega, VA7592)2) ADP-Glo kinase detection kit (containing ADP-Glo reagent and kinase detection reagents) (Promega, V9101)3) ATP solution (10 mM) (Thermofisher PV3227)4) 96-well small-volume white plate (Cisbio, 66PL96100)5) PHERA star microplate reader (BMG labtech)2. Experimental Method2.1 Reagent Preparationa. Reaction buffer: a reaction buffer containing DTT at a final concentration of 50 μM and MnCl2 at a final concentration of 4 mM was prepared using 5× reaction buffer;b. RIPK1 kinase solution: a RIPK1 kinase solution at a final concentration of 10 ng/μL was prepared using the reaction buffer;c. Mixed substrate of ATP and MBP: ATP at a final concentration of 60 μM and MBP at a final concentration of 0.6 μg/μL were separately prepared using the reaction buffer, and the prepared ATP and MBP were mixed in equal volumes;d. Compound: the compound was 3-fold diluted from an initial concentration of 33.3 μM to 9 gradient concentrations. All concentrations of compounds were 33.3-fold diluted with the reaction buffer for later use.2.2 Experimental Procedurea. The prepared RIPK1 enzyme solution was added to a 96-well plate at 2 μL/well, and 2 μL of the reaction buffer was added to column 1 instead of the enzyme.b. 2 μL of the compound was added to each well, DMSO was used as a control and added to column 1 and the last column instead of the compound, and the plate was centrifuged, shaken for 2 min, and incubated at room temperature for 10 min.c. 2 μL of the mixed substrate of ATP and MBP was added to each well, and the plate was centrifuged, shaken for 2 min, and incubated at room temperature for 90 min.d. 6 μL of the ADP-Glo reagent was added to each well, and the plate was centrifuged, shaken for 2 min, and incubated at room temperature for 40 min.e. 12 μL of the kinase detection reagent was added to each well, and the plate was centrifuged, shaken for 2 min, and incubated at room temperature for 40 min.f. The plate was read using the PHERA star microplate reader, and relative luminescence unit (RLU) values were recorded. g. Plotting was performed using the Graphpad software, and the IC50 values of the compounds of the present disclosure were calculated.
13020	1	Menin/MLL Homogenous Time-Resolved Fluorescence (HTRF) Assay	To an untreated, white 384-well microtiter plate was added 40 nL 200× test compound in DMSO and 4 μL 2× terbium chelate-labeled menin (vide infra for preparation) in assay buffer (40 mM Tris·HCl, pH 7.5, 50 mM NaCl, 1 mM DTT (dithiothreitol) and 0.05% Pluronic F-127). After incubation of test compound and terbium chelate-labeled menin for 30 min at ambient temperature, 4 μL 2×FITC-MBM1 peptide (FITC-β-alanine-SARWRFPARPGT-NH2) (“FITC” means fluorescein isothiocyanate) in assay buffer was added, the microtiter plate centrifuged at 1000 rpm for 1 min and the assay mixtures incubated for 15 min at ambient temperature. The relative amount of menin-FITC-MBM1 complex present in an assay mixture is determined by measuring the homogenous time-resolved fluorescence (HTRF) of the terbium/FITC donor/acceptor fluorphore pair using an EnVision microplate reader (ex. 337 nm/terbium em. 490 nm/FITC em. 520 nm) at ambient temperature. The degree of fluorescence resonance energy transfer (the HTRF value) is expressed as the ratio of the fluorescence emission intensities of the FITC and terbium fluorophores (Fem 520 nm/Fem 490 nm). The final concentrations of reagents in the binding assay are 200 pM terbium chelate-labeled menin, 75 nM FITC-MBM1 peptide and 0.5% DMSO in assay buffer. Dose-response titrations of test compounds are conducted using an 11 point, four-fold serial dilution scheme, starting typically at 10 μM.
13021	1	TBD	TBD
13022	1	Human Factor D Assay	Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) are added to final concentrations of 100 μM each. Absorbance at 405 nm (A405) is recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values are calculated by nonlinear regression of complement Factor D reaction rates as a function of test compound concentration.
13023	1	PKMYT1 HTRF Assay	Compound serial dilution was performed by Echo, and the final concentrations varied from 10 μM to 0.5 nM. 5 μL/well of Enzyme solution was added to the assay plate containing the compound. The plate was centrifuged at 1000 rpm for 1 min, and incubated at 25° C. for 15 min. Then, 5 μL/well of tracer solution (Tracer 178) was added to initiate the reaction, and incubate for 60 min at 25° C. Next, 5 μL of GST-Tb was added into the assay plate, the plate was centrifuged at 1000 rpm for 1 min, and incubated at 25° C. for 15 min. The assay plate was read on Envision.
13024	1	HPK1 Kinase Assay	HPK1 kinase activity was measured by Promega&#39;s ADP-Glo™ kinase assay. In this assay, 5 ng of recombinant human HPK1 (signalchem) is incubated with 5 μL of compounds (0.5% DMSO), 5 μL of MBP (0.5 μg/μl) and 5 μL of ATP (25 μM) in buffer (40 mM Tris, 7.5; 20 mM MgCl2; 0.1 mg/ml BSA; 50 μM DTT.). The assay was started by incubating the reaction mixture in a 96-well plate at 30° C. for 40 minutes. After the incubation, 25 μL ADP-Glo reagent was added and the reaction was incubated at room temperature for 40-min to stop the reaction and degrade residual ATP. The ADP product was then converted to ATP by adding 50 μL per well of detection reagent. Luminescence was detected after 30-min room temperature incubation with the Molecular device I3X plate reader. The IC50 values were calculated from a series of percent inhibition values determined at a range of inhibitor concentration using software routines as implemented in the GraphPad Prism 7 software and SigmaPlot13.0.
13025	1	FRET-Based Protein-Protein Interaction Assay	The capacity of compounds to inhibit SOS1 binding to KRAS-WT (wild-type) was quantified using a FRET-based protein-protein interaction assay. The assay is based on the transfer of energy between two fluorophores, a donor and an acceptor, when in close proximity. In this instance, the donor is a Europium-conjugated α-GST antibody that binds to GST-tagged KRAS-WT, and the acceptor is an XL665-conjugated α-His 6 antibody that binds to His 6-tagged SOS1. Binding of SOS1 to KRAS-WT results in an increased fluorescent signal at emission wavelength of 665 nm which can be detected on the EnVision plate reader. Compounds that inhibit binding will reduce the 665 nm signal emitted. Recombinant KRAS-WT protein (40 nM; Human KRAS, aa1-188 recombinant protein with N-terminal GST-tag) and SOS1 protein (40 nM; Human SOS1 exchange domain, aa564-1049 with N-terminal 6His-tag) were mixed together in assay buffer (5 mM HEPES pH7.3, 150 mM NaCl, 10 mM EDTA, 5 mM MgCl2, 0.05% BSA, 0.0025% NP-40, 1 mM DTT and 100 mM KF) and incubated at room temperature with a dose response of compound in a 384-well low volume white plate and a final volume of 5 ul. After a 60 minute incubation, 5 ul of 4 nM anti-GST-Eu(K) (Cisbio, France) combined with 20 nM anti-6His-XL665 (Cisbio, France), diluted in assay buffer, was added to the plate. Following a further 4 hr incubation at room temperature, time-resolved fluorescence was measured on the EnVision plate reader. DMSO (0.05%) and 10 μM reference compound were used to generate the Max and Min assay signals, respectively.
13026	1	Binding Activity Assay	a) BI-2852 was used as a positive control, with its stock solution as the first dilution point, followed by a 3-fold dilution, making a total of 10+0 dilutions. Similarly, the first dilution point of the test compounds was also their respective stock solutions, followed by a 3-fold dilution, making a total of 11+0 dilutions. Using Echo, 0.2 μL of the gradient-diluted compound solutions were transferred into a 384-well plate, with each compound tested in duplicate. The final DMSO concentration was 1%. The plate was centrifuged at 1000 rpm for 1 minute. The final concentrations of the positive controls were 100, 33.33, 11.11, 3.70, 1.23, 0.412, 0.137, 0.046, 0.015, 0.005, and 0 μM. The final concentrations of the test compounds were 200, 66.67, 22.22, 7.41, 2.47, 0.27, 0.091, 0.03, 0.0152, 0.01, and 0 μM.b) KRAS_WT from the kit was prepared with GTP at a final concentration of 10 μM in the dilution buffer, and 5 μL was transferred into the 384-well reaction plate. The plate was centrifuged at 1000 rpm for 1 minute.c) Subsequently, 5 μL of the SOS1 mixture was transferred into the 384-well reaction plate. The plate was centrifuged at 1000 rpm for 1 minute and incubated at 25° C. for 15 minutes.d) 10 μL of the detection mixture was transferred into the 384-well reaction plate. The plate was centrifuged at 1000 rpm for 1 minute and incubated overnight at 4° C.e) The excitation wavelength at 665 nm and emission wavelength at 615 nm were read using an Envision multimode plate reader. The 665/615 ratio signal intensity was used to characterize the enzyme activity.f) The raw data was analyzed.
13027	1	CDK1, CDK2, and CDK4 Activity Assay	Compounds were tested in breast cancer cell line MCF-7 to assess inhibition of CDK1, CDK2, and CDK4 activity. MCF-7 cells transiently transfected with CDK1:CCNB1, CDK2:CCNE1, or CDK4:CCND1 were harvested at a density of 1E5 cells/mL in complete media, seeded 20 μL/well into 384-well Greiner 784080 plates using a Multidrop Combi, and incubated overnight at 37° C. and 5% CO2. The next day media were evacuated from the wells using the Bluewasher centrifugal plate washer (Bluecatbio) and 10 μL/well phenol red free OptiMEM was then added using a Multidrop Combi. Test compounds were then dispensed into the wells using an Echo instrument (555/655, Beckman Coulter). Immediately after compound addition, a Tecan HP300 dispensor was used to dispense the relevant NanoBRET™ tracer to the CDK1 wells (12.5 nl, 400 μM, NanoBRET™ TE Tracer K-9), the CDK2 wells (12.5 nl, 200 μM, NanoBRET™ TE Tracer K-9), and the CDK4 wells (8 nl, 100 μM, NanoBRET™ TE Tracer K-7) and the plates were incubated for 2 hours at 37° C. and 5% CO2. The plates were allowed to cool for 10 minutes at room temperature and 5 μL/well of TE Nano-Glo®Substrate/Inhibitor at 2.4 μM and 1:500 respectively (N2162 Promega) was added. The plates were incubated in subdued lighting for 10 minutes and then read on a Pherastar FS plate reader (BMG Technologies) using a NanoBRET™ filter module (460±80 nm/610 nm-LP). The ratio values were normalized to controls and the IC50 values of test compounds determined using Genedata Screener software.
13028	1	KIF18A Biochemical Assay	A KIF18A ATPase assay was performed in small-volume, nonbinding, 384-well white plates at a final volume of 10 μL/well. Test compounds (10 mM solution in DMSO; 100 nL/well) were serially diluted 3-fold over 10-point concentration range. A solution of KIF18A (0.4 nM, 5 μL/well; 1-367) in assay buffer (15 mM Tris-HCl [pH 7.5](Boston Bioproducts Inc), 10 mM MgCl2 (Boston Bioproducts Inc), 0.01% Pluronic F-68 (Gibco Inc), 1 uM Taxol (Cytoskeleton Inc), 30 mg/ml pre-formed porcine Microtubules (Cytoskeleton Inc)). The reaction was initiated by the addition of 5 μL of substrate solution (10 μM Ultra-Pure ATP in assay buffer) into the wells. The plates were incubated at room temperature for 45 minutes. After the indicated incubation times, 10 μL ADP-Glo reagent was added to the reactions and the plate was incubated at room temperature for 40 min. Then, 20 μL of kinase detection reagent was added and after an incubation time of 40 min, luminescence was recorded on Envision plate reader (Perkin Elmer, Billerica, MA).
13029	1	Inhibitory Activity of Compound 1 on Phosphodiesterase 4B Subtype (PDE4B Enzyme)	Procedures:1. Dissolving the recombinant human PDE4B enzyme and enzyme substrate (1 μM cAMP) in freshly prepared assay buffer, respectively;2. Transferring the above PDE4B enzyme buffer solution to reaction wells;3. Adding compound 1 dissolved with 100% DMSO to reaction wells with the PDE4B enzyme buffer solution via acoustic technology (echo 550 nanoliter range) and incubating at room temperature for 10 min;4. Then, adding the enzyme substrate buffer solution to the above reaction wells to initiate reaction;5. Incubating at room temperature for 1 h;6. Adding the detection mixture (Transcreener® AMP2/GMP2 antibody and AMP2/GMP2 AlexaFluor633 tracing) to terminate the reaction and incubating with slow mixing for 90 min. The range of fluorescence polarization determination was Ex/Em=620/688.Data Analysis: The fluorescence polarization signal was converted into nM based on AMP/GMP standard curve and % enzyme activity calculated by Excel software relative to the DMSO control. 
13030	1	CMV and HSV Polymerase Biochemical Assay	DNA polymerase activity was measured using a molecular beacon-based assay, as described in Ma et. al. 100 pM CMV polymerase or 625 pM HSV polymerase was added to a buffer containing 20 mM Tris, pH=7.5, 100 mM NaCl, 10 mM MgCl2, 0.01% Tween-20, 0.5 mM EDTA, 10% Sucrose and 1 mM DTT. The inhibitor was pre-incubated with the polymerase for 30 minutes at room temperature. Reactions were initiated by the addition of a mixture containing 1.25 uM dATP, 1.25 uM dCTP, 1.25 uM dTTP, 1.25 uM dGTP, 200 nM Primer B (5′-GAC GGG AAG-3′5′-GAC GGG AAG-3′) and 100 nM molecular beacon (5′-5,6-FAM-CCT CTC CGT GTC TTG TAC TTC CCG TCA GAG AGG-BHQ1-3′) (SEQ ID NO: 16). For human CMV polymerase the reactions were incubated for 60 minutes at room temperature. For HSV polymerase the reactions were incubated for 20 minutes at room temperature. The reactions were then read on a Perkin-Elmer EnVision 2101 reader (fluorescence) using an excitation of 480 nm and emission of 535 nm. IC50s were determined using an internal Novartis software (Helios).
13031	1	Evaluation of Inhibitory Activities Against GCS	(1) MaterialsA549 cells (ATCC, CCL-185)NBD C6-ceramide (Thermo Fisher, N1154)UDP-glucose (Sigma, U4625)Potassium chloride (Sigma, P9333)UltraPure™ 0.5 M EDTA (Invitrogen, 15575-038)BCA protein assay kit (Thermo Fisher, 23227)Ibiglustat (Shanghai Systeam Biochem Co., ltd, Genz-682452)HEPES (sigma, H3375)Protease/phosphatase inhibitor cocktail (CST, 5872s)DMEM (GIBCO, 11995-065)FBS (GIBCO, 16000-044)Antibiotic-Antimycotic (100×) (GIBCO, 15240-112)200 mM L-glutamine (GIBCO, 25030081)PBS (GIBCO, 10010-023)0.25% Trypsin-EDTA (GIBCO, 25200-056)Dimethyl sulfoxide (Sigma, 34869)2-propanol, HPLC grade (Burdick & Jackson, AH323-4)Hexane, HPLC grade (Burdick & Jackson, AH216-4)Chloroform (Sigma, C2432)Methanol (Merck, 1.06009.1011)(2) Protocol<1> Preparation of Cell LysatesA549 cells (ATCC, CCL-185) were cultured in a DMEM medium supplemented with 10% fetal bovine serum (FBS), 1× antibiotic-antimycotic, and 1×L-glutamine, in an incubator at 37° C. and 5% CO2. After the cells attached to the culture dish were washed with phosphate buffered saline (PBS), the cells were scraped off with a cell scraper and then centrifuged (4000 rpm, 3 min, 4° C.) to collect the cells in a 50 ml tube. The cell pellets were suspended in a lysis buffer (50 mM HEPES, pH 7.3, containing 1× the protease/phosphatase inhibitor cocktail), lysed by sonication, and then the lysate was centrifuged (13000 rpm, 10 min, 4° C.). The obtained supernatant was used for the quantitative analysis of proteins. The amount of proteins was measured using the BCA protein assay kit, using bovine serum albumin as a standard.
13032	1	SAM-TIR IC50 Assay	The enzymatic assay was performed in a 384-well polypropylene plate in Dulbecco&#39;s PBS buffer in a final assay volume of 20 μL. SAM-TIR lysate with a final concentration of 5 μg/mL was pre-incubated with the respective compound at 1% DMSO final assay concentration over 2 hr at room temperature. The reaction was initiated by addition of 5 μM final assay concentration of NAD+ as substrate. After a 2 hr room temperature incubation, the reaction was terminated with 40 μL of stop solution of 7.5% trichloroactetic acid in acetonitrile. The NAD+ and ADPR concentrations were analyzed by a RapidFire High Throughput Mass Spectrometry System (Agilent Technologies, Santa Clara, CA) using an API4000 triple quadrupole mass spectrometer (AB Sciex Framingham, MA).
13033	1	CYP Inhibition Assay	Human liver microsomes (HLM) are stored at −80° C. Before the study, microsomes were thawed in a cold water bath, and then were put on ice immediately. Test compounds and P450 3A4 specific inhibitor ketoconazole were dissolved in DMSO to yield a stock solution of 10 mM. The stock solution was diluted with 50% acetonitrile to get a working solution at the concentration of 1.5 mM. The working solution was further diluted with 0.1 M potassium phosphate buffer to get a series of working solution at concentrations of 150, 50, 15, 5, 1.5, 0.5, 0.15, and 0.05 μM. Incubation mixtures in duplicate contain pooled human liver microsome (0.1 mg/mL), 3.3 mM MgCl2, CYP 3A4 probe substrate testosterone (50 μM), specific inhibitor or test compounds (30, 10, 3, 0.1, 0.03, 0.01, 0.003, 0.01 μM) in 0.1 M potassium phosphate buffer (total volume 0.1 mL). Negative control contains 0.1 M phosphate buffer instead of a specific inhibitor or test compound. The final concentrations of DMSO and acetonitrile were equal to or less than 0.1%. The mixtures are pre-incubated for 10 min at 37° C. Then, 1 mM NADPH is added to initiate a reaction. Following a 10-min incubation at 37° C., the reactions are terminated by the addition of 300 μL acetonitrile containing an internal standard. The formation of the corresponding products is detected by LC/MS/MS.
13034	1	Kinase Activity Assay	1.3 Preparation of 1× Kinase Buffer4 volume of distilled water was added to 1 volume of enzyme buffer 5×; 5 mM MgCl2; 1 mM DTT.1.4 Screening Methoda) 1 μL of compound dilution was transferred to each well of the test plate;b) the compound plate was centrifuged at 1000 g for 1 min;c) the test plate was sealed;d) 2× Ret wt (0.04 ng/μL), 2× Ret V804M (0.2 ng/μL) and 2×RET G810R (2 ng/μL) in 1× kinase buffer were prepared;e) 5 μL of 2× Ret wt, Ret V804M or RET G810R was added to a 384-well test plate;f) the sample plate was centrifuged at 1000 g for 30 s, and left to stand at room temperature for 10 min;g) a solution of 5× TK-substrate-biotin (5 μM) in kinase buffer and a solution of 5×ATP (50 μM) in kinase buffer were prepared with 1× kinase buffer;h) the reaction was initiated by adding 2 μL of STK-substrate-biotin and 2 μL of ATP (prepared in step g);i) the sample plate was centrifuged at 1000 g for 30 s, and the test plate was sealed and left to stand at room temperature for 30 min;j) 4× Sa-XL 665 (250 nM) in HTRF detection buffer was prepared;k) 5 μL of Sa-XL 665 and 5 μL of TK-antibody-Cryptate (prepared in step i) were added to each well of the test plate;l) the plate was centrifuged at 1000 g for 30 s, and left to stand at room temperature for 1 h; andm) the plate was read for the fluorescence signal values of 620 nm (Cryptate) and 665 nm (XL665) on Envision 2104 plate reader or BioTek microplate reader.1.5 Data Analysis
13035	1	Human LDHA Enzyme Assay	Compounds were dissolved in DMSO and preincubated with human recombinant C-terminal His-tagged LDHA (0.070 μg/mL) for 10 min at room temperature in assay buffer consisting of 50 mM Tris (pH 7.5) and 100 mM NaCl in black walled, clear bottom, non-binding 96-well plates. Equal volumes of substrate solution containing 100 μM of pyruvate and 100 μM of NADH in assay buffer was added to each well (final concentration 0.035 μg/mL enzyme, 50 μM pyruvate, 50 μM NADH, and 1% DMSO). The rate of the reaction was determined by plotting absorbance vs time.
13035	2	Human LDHA Enzyme + HSA Assay	Compounds were dissolved in DMSO and preincubated with human recombinant C-terminal His-tagged LDHA (0.070 μg/mL) for 10 min at room temperature in assay buffer consisting of 50 mM Tris (pH 7.5) and 100 mM NaCl in black walled, clear bottom, non-binding 96-well plates. Equal volumes of substrate solution containing 100 μM of pyruvate and 100 μM of NADH in assay buffer was added to each well (final concentration 0.035 μg/mL enzyme, 50 μM pyruvate, 50 μM NADH, and 1% DMSO). For human serum albumin (HSA) shift assay, the compounds were preincubated with the enzyme in assay buffer containing 20% HSA before substrate addition (final concentration 10% HSA). The reaction was monitored at 340 nm on a plate reader (Molecular Devices) in kinetic mode for 15 min. The rate of the reaction was determined by plotting absorbance vs time.
13036	1	Method of Biotinylated Wild-Type STING Protein	Into pRSF1b (Novagen) having altered multiple cloning site was inserted Escherichia coli BirA, and transfected to ECOS JM109, whereby pRH8/FLAG-BirA was constructed. pET21HH/His-Avi-SUMO-FLAG-hTMEM173(139-379XH232R) (which was constructed by the method mentioned in the Example 36) and pRH8/FLAG-BirA for Avi tag biotinylation were simultaneously transformed to ECO (trade name) Competent E. coli BL21(DE3) to prepare His-Avi-SUMO-FLAG-hSTING (139-379, H232R)-expressing cell line. The expressing cell line was added to LB medium (10 g/L Tryptone, 5 g/L Yeast Extract, 5 g/L NaCl) containing ampicillin (100 μg/L) and kanamycin (50 μg/L), and the mixture was pre-cultured at 30° C., and expanded to TB medium (12 g/L Tryptone, 24 g/L Yeast Extract, 4 mL/L Glycerol, 2.3 g/L KH2PO4, 12.5 g/L K2HPO4) containing the same antibiotics, and the mixture was cultured at 37° C. When the turbidity of the culture solution reached 500 KU, the culture temperature was reduced to 16° C., 0.1 mM isopropylthiogalactoside and 50 μM (+)-biotin were added thereto, and the mixture was cultured for additional 16 hr.The culture solution was centrifuged, the obtained fungus bodies were suspended in Lysis Buffer (50 mM TrisHCl, 150 mM NaCl, 20 mM Imidazole, 1 mg/mL Lysozyme, 5 U/mL SEM Nuclease, recombinant, Complete EDTA-free, pH7.6), and the protein was extracted by ultrasonic fragmentation. The reagent was added thereto so that the salt concentration of the extract was adjusted to 300 mM NaCl, and the supernatant was collected by centrifugation. The obtained supernatant was passed through NiNTA superflow Cartridge equilibrated with Wash Buffer (50 mM TrisHCl, 300 mM NaCl, 20 mM Imidazole, pH7.6), and the Cartridge was washed with Wash Buffer, and eluted with Elution Buffer (50 mM TrisHCl, 300 mM NaCl, 250 mM Imidazole, pH7.6).
13037	1	Evaluation of the inhibitory activity against PRMT5 enzyme activity	A 1× enzyme reaction buffer (10 mM Tris 8.0 (Sigma, Cat. No. T2694-1L), 0.01% Tween-20 (Sigma, Cat. No. P2287-100ML), and 1 mM DTT (Sigma, Cat. No. D0632-10G)) was prepared. PRMT5 (Active Motif, Cat. No. 31921) and [3H]—SAM (PerkinElmer, Cat. No. NET155VO01MC) were added to the 1× enzyme reactionbuffer, to prepare a 25/15× mixed solution (PRMT5 final concentration: 5 nM, [3H]—SAM final concentration: 0.3 μM). 15 L of this solution was transferred into a 384-well microplate (Corning 384-well Polypropylene Storage Microplates, Cat. No. 3657) with various concentrations of the compounds (DMSO final concentration 1%), and incubated at room temperature for 60 minutes. A polypeptide substrate, GL-27 (Ac-SGRGKGGKGLGKGGAKRHRKVGG-K) (Biotin) (GL Biochem, Cat. No. 342095), was added into the 1× enzyme reaction buffer to prepare a 25/10× substrate solution. Then 10 μL of the polypeptide substrate solution (final concentration of the polypeptide substrate: 100 nM) was added, the reaction was performed at room temperature for 120 minutes, and then 5 μL 6× ice cold SAM (Sigma, Cat. No. A7007-100MG) solution was added to stop the reaction (SAM final concentration: 0.125 mM). 25 μL of the reaction system was transferred into a FlashPlate (Streptavidin FlashPlate HTS PLUS, High Capacity, 384-well, Perkin Elmer, Cat. No. SMP410A001PK), and incubated at room temperature for 1 hour. After washed three times with distilled water containing 0.1% Tween-20, the microplate was read on a MicroBeta reader for CPM data (Counts Per Minute). After the CPM original data of the compounds at various concentrations were obtained, the data were normalized according to Inh %=(Max−Sample)/(Max−Min)*100%, and the enzyme activity inhibition rate Inh % at each concentration point was obtained (wherein Max was the CPM value of a positive well with the enzyme, Min was the CPM value of a negative well without the enzyme, and Sample was the CPM value of the sample well treated with the compounds). Then the inhibition rate Inh % (Y) corresponding to each concentration (X) was input in EXCEL, and the IC 50 value (the half inhibitory concentration) of each compound was calculated with the XLfit plug-in according to the built-in four-parameter fitting equation Y=Bottom+(Top−Bottom)/(1+(IC50/X)*HillSlope).
13038	1	Evalution of NSD2 Inhibitory Activity Assay	A reaction mixture was prepared by adding oligonucleosomes from Chicken (0.05 mg/ml) to freshly prepared reaction buffer containing 50 mM Tris-HCl (pH 8.5), 50 mM NaCl, 5 mM MgCl2, 0.01% Brij35, 1 mM DTT, and 1% DMSO followed by the addition of recombinant human NSD2, (amino acids 2-end) with N-terminal His tag (2 nM; GenBank Accession No. NM_001042424; MW=155.5 kDa; expressed in Sf9 insect cells) and gentle mixing. The test compounds were diluted in DMSO, added to the reaction mixture in nanoliter amounts by using Acoustic Technology (Echo 550, LabCyte Inc. Sunnyvale, CA) and incubated for 20 minutes at room temperature. The reaction was initiated by the addition of S-Adenosyl-L-[methyl-3H] methionine (3H-SAM; 1 μM), and the mixture was incubated for 1 hour at 30° C. The reaction mixture was delivered to filter paper and the methylated substrate was quantified by scintillation counting. Data analysis was performed using Excel and GraphPad Prism software for IC50 curve fits.
13039	1	KRAS G12D GTP::SOS1 Homogeneous Time-Resolved Fluorescence Binding Experiment	In a 384-well reaction plate (Corning, CLS4514), 0.1 microliter of the compound was added. After centrifugation, a mixture of 5 microliters of Tag2-KRAS G12D (Cisbio, 63ADKOOOCB17PEG) protein and GTP (SIGMA, V900868) with a final concentration of 10 M was added. Then, 5 microliters of Tag1-SOS1 (Cisbio, 63ADKOOOCB17PEG) protein solution was added, and the reaction was allowed to proceed at room temperature for 15 min. All protein interactions occurred in Diluent (Cisbio, 62DLBDDF) buffer solution. 10 microliters of premixed 100× Anti-Tag1-Tb and 25× Anti-Tag2-XL665 detection solutions were added, and the reaction was allowed to proceed at 4° C. for 180 min. The detection reagents occurred in Detection Buffer (Cisbio, 62DB2FDG). The reaction signals were detected by a multifunctional microplate reader, and the data was analyzed by using GraphPad Prism data analysis software.
13040	1	KRAS-BRAF with CYPA (500 nM) Interaction Assay	In this example, TR-FRET was also used to measure the compound or compound-CYPA dependent disruption of the KRAS G12C-BRAF complex. This protocol was also used to measure disruption of KRAS G12D or KRAS G12V binding to BRAF by a compound of the invention, respectively. In assay buffer containing 25 mM HEPES PH=7.4 (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, Thermo, 15630080), 0.002% Tween20, 0.1% BSA, 100 mM NaCl, 5 mM MgCl2, 10 μM GMPPNP (Guanosine 5′-[β,γ-imido]triphosphate trisodium salt hydrate, Sigma, G0635), tagless CYPA, GMPPNP loaded 6His-KRAS proteins, and GST-BRAFRBD were mixed in a well of a 384-well assay plate at final concentrations of 50 nM, 6.25 nM and 1 nM, respectively. Compound was present in plate wells as a 16-point 3-fold dilution series starting at a final concentration of 10 μM and incubated for 3 hours. A mixture of MAb Anti-6His-XL665 (Cisbio, 61HISXLB) and Mab anti-GST-TB cryptate (Cisbio, 61GSTTLB) was then added at a final concentration of 6.67 nM and 0.21 nM, respectively, and the plate was incubated for an additional 1.5 hours. TR-FRET signal was read on a PHERstar FSX microplate reader (Ex320 nm, Em 665/615 nm). Compounds that facilitate disruption of the KRAS-BRAF complex were identified as those eliciting a decrease in the TR-FRET ratio relative to DMSO control wells.
13041	1	Na,K-ATPase Activity Assay	Na,K-ATPase activity was assayed in vitro by measuring the release of 32P-ATP, as described previously (see Ferrandi M. et al., Hypertension 1996; 28(6):1018-25). Increasing concentrations of the standard ouabain, or tested compound, were incubated with 0.3 μg of purified dog kidney enzyme for 10 min at 37° C. in 120 μl final volume of a medium containing 140 mM NaCl, 3 mM MgCl2, 50 mM Hepes-Tris, 3 mM ATP at a pH 7.5. Then, 10 μl of incubation solution containing 10 mM KCl and 20 nCi of 32P-ATP (3-10 Ci/mmol, Perkin Elmer) was added, and the reaction was continued for 15 min at 37° C. The reaction was then stopped by acidification with 20% v/v ice-cold perchloric acid. 32P was separated by centrifugation with activated Charcoal (Norit A, Serva) and the radioactivity was measured. The inhibitory activity was expressed as percent of the control samples carried out in the absence of ouabain or tested compound. The concentration of compound causing 50% inhibition of the Na,K-ATPase activity (IC50) was calculated by using a multiple parameter non-linear regression best fitting program (Kaleidagraph™, Sinergy Software).
13042	1	Human RNR Inhibition Effect	For measuring the inhibitory activity of the test compound against the RNR reaction, the method described in Cancer Research 64, 1-6 (2004) was referred to.First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived from 0.02% fetal bovine serum, DMSO solution of the compound of the present disclosure or the control DMSO solution (final concentration of DMSO was 1%) was added, and the mixture was allowed to stand for 20 minutes. Thereafter, the reaction buffer [50 mM HEPES buffer (pH 7.2) at the final concentration, 4 mM magnesium acetate at the final concentration, 100 mM potassium chloride at the final concentration, 6 mM dithiothreitol at the final concentration, 2 mM adenosine triphosphate at the final concentration, 0.24 mM nicotinamide adenine dinucleotide phosphate at final concentration] and 10 μM CDP at the final concentration were added and incubated at 37° C. for 30 minutes to perform RNR reaction. Immediately after the reaction, the reaction was stopped by heating at 100° C. for 15 minutes, followed by centrifugation at 10,000 rpm for 10 minutes. After the centrifugation, a portion (5 μL) of the resulting supernatant was analyzed with a high performance liquid chromatography (Shimadzu Corporation, Prominence) using Shim-pack XR-ODS (manufactured by Shimadzu GLC Co., 3.0×100 mm). Elution was carried out at a measurement wavelength of 265 nm at a flow rate of 0.5 mL/min by a 9-minute concentration gradient from the 12:13 mixture of mobile phase A (10 mM potassium dihydrogen phosphate (pH 6.7), 10 mM tetrabutylammonium, 0.25% methanol) and mobile phase B (50 mM potassium dihydrogen phosphate (pH 6.7), 5.6 mM tetrabutylammonium, 30% methanol) to the same 2: 3 mixture to measure the substrate CDP (RT 5.9 min) and the reaction product dCDP (RT 6.2 min).
13043	1	TBD	TBD
13044	1	Beta-Arrestin Recruitment Assay	The Tango™ EDG2-bla U2OS cells are obtained from Invitrogen. These cells contain the human LPA1 receptor cDNA linked to a TEV protease site and a Gal4-VP16 transcription factor integrated into the Tango™ GPCR-bla U2OS parental cell line. This parental cell line stably expresses a beta-arrestin/TEV protease fusion protein and the beta-lactamase (bla) reporter gene under the control of a UAS response element. Upon LPA (agonist) binding, LPA1 receptor gets activated, leading to arrestin-protease recruitment and proteolytic release of the transcription factor: The transcription factor then regulates transcription of a beta-lactamase reporter construct, which is measured upon addition of the live-cell substrate.10′000 Tango™ EDG2-bla U2OS cells are seeded in a 384-well black with clear bottom plate in 30 μl Freestyle 293 Expression Medium (Invitrogen) and incubated for 20 h at 37° C., 5% CO2. For antagonist assays, 5 μl of test compound (dilution series in DMSO/Freestyle 293 Expression medium/0.1% fatty acid free BSA (Sigma) or buffer control are added per well and incubated for 30 min at 37° C., 5% CO2. 5 μl of LPA 18:1 (500 nM final) (solution in Freestyle 293 Expression medium/0.1% fatty acid free BSA (Sigma)) are added per well and the plate incubated for 16 h at 37° C., 5% CO2. Cells are then loaded with LiveBLAzer-FRET™ B/G Substrate (Invitrogen) for 2 h in the dark and the fluorescence emission at 460 nm and 530 nm is measured using the SynergyMx reader (BioTek). Following the background subtraction from both channels, the 460/530 nm emission ratio for each well is calculated, then plotted and fitted to a 4-parameter logistic function to obtain IC50 values. IC50 is the concentration of antagonist inhibiting 50% of the maximal response.
13045	1	IRE1alpha TR-FRET Competition Binding Assay	A His-tagged IRE1α kinase dead construct containing the kinase and RNase domains (KR, AA G547-L977, D688N) was expressed in Sf9 insect cells. The purified protein (final concentration 0.25 nM) was pre-incubated with anti-His Europium labeled antibody (Life Technologies PV5596, final concentration 2 nM) for one hour at 4° C. in TR-FRET Assay Buffer (50 mM HEPES, pH 7.5, 10 mM MgCl2, 0.083 mM Brij 35, 1 mM DTT, and 0.1% bovine gamma globulin) prior to addition to test compounds. An Alexa fluor 647-labeled probe based on an ATP competitive inhibitor was added to a final concentration of 2 nM. Reactions were carried out for one hour at room temperature in a final volume of 20 μL in 384 well white ProxiPlates (Perkin Elmer 6008289). Binding of the probe to the IRE1α protein was detected in an Envision instrument (PerkinElmer) equipped with a TRF laser option and a LANCE/Delfia Dual/Bias D400/D630 mirror (Ex 347 nm, 1st Em 665 nm, 2nd Em 615 nm).
13046	1	TBD	TBD
13047	1	Radioligand binding assays	Radioligand binding assays were carried out in a volume of 200 μL (96-well plates) which contained 100 μL of cell membranes, [3H]RO7239181 at a concentration of 1.5 nM (α5β2γ1) or 20-30 nM (α1β2γ1, α2β2γ1) and the test compound in the range of [0.3-10000]×10−9 M. Nonspecific binding was defined by 10×10−6 (α5β2γ1) and 30×10−6 M RO7239181 and typically represented less than 5% (α5β2γ1) and less than 20% (α1β2γ1, α2β2γ1) of the total binding. Assays were incubated to equilibrium for 1 hour at 4° C. and then, membranes were filtered onto unifilter (96-well white microplate with bonded GF/C filters preincubated 20-50 minutes in 0.3% Polyethylenimine) with a Filtermate 196 harvester (Packard BioScience) and washed 4 times with cold Potassium Phosphate 10 mM pH 7.4, KCl 100 mM binding buffer. After anhydrousing, filter-retained radioactivity was detected by liquid scintillation counting. Ki values were calculated using Excel-Fit (Microsoft) and are the means of two determinations.
13048	1	Factor XIa Assay	Compounds were pre-incubated for 30 minutes at 25° C. with human (0.04 nM) Factor XIa in 50 mM HEPES buffer with 150 mM sodium chloride, 5 mM calcium chloride, 0.1% PEG 8000, pH 7.4. Factor XIa enzymatic activity was determined by addition of the substrate glycine-proline-arginine-7-amido-4-trifluoromethylcoumarin (GPR-AFC) and measurement of the fluorescence at 400/505 nm after a 60 minute incubation at 25° C. The % inhibition for each data point was calculated from the data and analyzed using the log (inhibitor) vs. response four parameters equation to determine the half-maximal inhibitory concentrations (IC50). The IC50 were, converted to equilibrium inhibitory constants (Ki) using the Cheng-Prusoff equation.
13048	2	Kallikrein Assay	Activity assays were performed by diluting a stock solution of substrate at least tenfold to a final concentration ≤0.2 Km into a solution containing enzyme or enzyme equilibrated with inhibitor. Times required to achieve equilibration between enzyme and inhibitor were determined in control experiments. The reactions were performed under linear progress curve conditions and fluorescence increase measured at 405 Ex/510 Em nm. Values were converted to percent inhibition of the control reaction (after subtracting 100% Inhibition value). IC50 was determined by inflection point from a four parameter logistic curve fit. Ki was calculated using the Cheng Prusoff equation, Ki=IC50/(1+([S]/Km)).
13048	3	Norepinephrine Transporter Binding Assay	Human Norepinephrine Transporter (NET) Binding (Antagonist Radioligand) was determined at Panlabs Cerep (assay #204410). Human norepinephrine transporters expressed in dog kidney MDCK cells were used in modified Tris-HCl buffer pH 7.4. A 40 μg‡ aliquot was incubated with 0.2 nM [125I]RTI-55 for 3 hours at 4° C. Non-specific binding was estimated in the presence of 10 μml desipramine. Membranes were filtered and washed, and the filters were then counted to determine [125I]RTI-55 specifically bound. Compounds were assayed using an 8-point titration, with a starting concentration of 10 μM and one-half log serial dilutions. ‡Note: Membrane protein may change from lot to lot, the concentration used is adjusted if necessary. IC50 values were determined by a non-linear, least squares regression analysis using MathIQ™ (IDBusiness Solutions Ltd., UK).
13049	1	Biochemical Activity Assay for BRD4	1) using BRD4-BD1 protein and BRD4-BD2 protein from BPS company for the experiments; as well as polypeptides from ANASPEC company; detection reagents from Perkinelmer company;2) screening compounds by applying the experimental principle of TR-FRET;3) testing the compounds. 
13050	1	SPR Binding Assay	All binding assays were performed on a ProteOn XPR36 SPR Protein Interaction Array System (Bio-Rad Laboratories, Hercules, CA, USA). The instrument temperature was set at 25° C. for all kinetic analyses. ProteOn GLH sensor chips were preconditioned with two short pulses each (10 s) of 50 mM NaOH, 100 mM HCl, and 0.5% sodium dodecyl sulfide. Then the system was equilibrated with running buffer (1×PBS pH 7.4, 3% DMSO and 0.005% polysorbate 20). The surface of a GLH sensor chip was activated with a 1:100 dilution of a 1:1 mixture of 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (0.2 M) and sulfo-N-hydroxysuccinimide (0.05 M). Immediately after chip activation, the HIV-1 CA protein constructs were prepared at a concentration of 10 μg/mL in 10 mM sodium acetate, pH 5.5, and injected across ligand flow channels for 5 min at a flow rate of 30 μL/min. Then, after unreacted protein had been washed out, excess active ester groups on the sensor surface were capped by a 5 min injection of 1M ethanolamine HCl (pH 8.0) at a flow rate of 5 μL/min. A reference surface was similarly created by immobilizing a nonspecific protein (IgG b12 anti-HIV-1 gp120; was obtained through the NIH AIDS Reagent Program, Division of AIDS, NIAID, NIH: Anti-HIV-1 gp120 Monoclonal (IgG1 b12) from Dr. Dennis Burton and Carlos Barbas) and was used as a background to correct nonspecific binding. Serial dilutions of hACSS-2 inhibitors were then prepared in the running buffer and injected at a flow rate of 100 μL/min, for a 50 s association phase, followed by up to a 5 min dissociation phase using the “one-shot kinetics” capability of the ProteOn instrument. Data were analyzed using the ProteOn Manager Software version 3.0 (Bio-Rad). The responses from the reference flow cell were subtracted to account for the nonspecific binding and injection artifacts. Experimental data were fitted to a simple 1:1 binding model. Experiments were performed in triplicate to detect kinetic and equilibrium dissociation constants (KD).
13051	1	Conditioned place preference (CPP) assay	The mouse-center-based representative traces of vehicle-treated mice showed more activity in the food zone when compared to the ACY775-treated mice at both fed and fasting conditions, which indicated that the vehicle-treated mice show a higher interest for food compared to the ACY775-treated mice. Determination of locomotion and velocity depending on mouse-nose-based analysis showed that both vehicle- and ACY775-treated DIO mice had similar levels of locomotion and velocity levels both in fed or fasting conditions. There were no significant differences in cumulative duration that the mice spent in the dark side chambers, which contained the mimic food. Appearance frequency of the mice within the dark side chambers were also similar for both Veh- and ACY75-treated DIO mice at both fed or fasting conditions. ACY775-treated mice, compared to the vehicle-treated mice, spent significantly shorter time and had lower frequency of appearance in the food-containing white side chambers in both fed and fasting conditions. Notably, ACY775-treated mice, compared to the vehicle group, also spent significantly shorter time and displayed lower frequency of appearance in the food zone in both fed and fasting conditions in the white side chambers.
13052	1	In Vitro Inhibition of SARS NSP14/NSP10 Exonuclease Activity	Commercially available 2-Hydroxyisoquinoline-1,3(2H,4H)-dione (CAS No: 6890-08-0), a well-known scaffold backbone used to develop human immunodeficiency virus (HIV) integrase activity, was selected for proof-of-principle in vitro efficacy studies of SARS-CoV2 NSP14/NSP10 exonuclease inhibition by FRET-based activity assay.
13053	1	TYK2 JH2 Domain Binding Assay	Binding constants for the compounds described herein against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (DiscoveRx). A fusion protein of a partial length construct of human TYK2 (JH2domain-pseudokinase) (amino acids G556 to D888 based on reference sequence NP_003322.3) and the DNA binding domain of NFkB was expressed in transiently transfected HEK293 cells. From these HEK 293 cells, extracts were prepared in M-PER extraction buffer (Pierce) in the presence of Protease Inhibitor Cocktail Complete (Roche) and Phosphatase Inhibitor Cocktail Set II (Merck) per manufacturers&#39; instructions. The TYK2 (JH2domain-pseudokinase) fusion protein was labeled with a chimeric double-stranded DNA tag containing the NFkB binding site fused to an amplicon for qPCR readout, which was added directly to the expression extract (the final concentration of DNA-tag in the binding reaction is 0.1 nM).
13054	1	SPR Analysis	The interaction of PSMA-binding variants with human FOLH1 was measured with Surface Plasmon Resonance (SPR) technology. Biotinylated FOLH1 was captured at a concentration of 30 μg/mL onto a Streptavidin chip. Binding kinetics of the analytes were measured with a Biacore 8K instrument in two-fold serial dilutions starting at 500 nM down to 1.95 nM in single cycle kinetic measurements. After each cycle, needles were washed with 50% DMSO. To measure the association to the FOLH1 protein, the samples were injected with a flow rate of 30 μL/min for 90 s, followed by 1200 s buffer only to detect the dissociation. The used running buffer was 1×PBS with 0.05% Tween20 and 2% DMSO. The relative response units (RU, Y-axis) are plotted against time (s, X-axis) and analyzed in a kinetic 1:1 binding model. In a different setup, biotinylated FOLH1 was captured at a concentration of 0.8 μg/mL and the running buffer was 1×PBS with 0.05% Tween20.
13054	2	Inhibition Assay	Prepare a working solution of 100 μM Amplex® Red reagent containing 0.25 U/mL HRP, 0.08 U/mL L-glutamate oxidase, 0.5 U/mL 1-glutamate-pyruvate transaminase, 200 μM L-alanine and keep protected from light. Add 10 μl/well of the PSMA solution at 25 nM. Final concentration is 5 nM. Transfer 10 μl/well of the inhibitor solution previously prepared in a separate 96 wells/plate. Incubate PSMA and inhibitors for 20′ at 37° C. in the dark After, add 10 μl of substrate solution NAAG to have a final concentration of 40 μM.Pipette 20 μl/well of the working solution prepared above. Incubate the reactions for 30 min at 37° C., protected from light. Because the assay is continuous (not terminated), fluorescence may be measured at multiple time points to follow the kinetics of the reactions. Measure the fluorescence in a fluorescence microplate reader using excitation in the range of 530-560 nm and emission detection at ˜590 nm. Ec50s were determined with GraphPad Prism. Ki is calculated based on Cheng-Prusoff equation.
13055	1	TBD	TBD
13056	1	patch clamp assay 	Inhibition of the T-type voltage gated calcium channel (Cav3.1) was evaluated using a HEK-293 natClytin/TASK1+Cav3.1 cell line. Currents were recorded using the SyncroPatch 384PE automated, patch clamp system. Pulse generation and data collection were performed with PatchController384 V1.3.0 and DataController384 V1.2.1 (Nanion Technologies). Off-line analysis was performed using Excel and Graphpad Prism (V 8.4.2) with complete data files uploaded to Dotmatics. The access resistance and apparent membrane capacitance were estimated using built-in protocols. Current was recorded in whole cell configuration from a population of cells. The cells were lifted, triturated, and resuspended at 800,000 cells/ml. The cells were allowed to recover in the cell hotel prior to experimentation. Currents were recorded at room temperature. The external solution contained the following (in mM): NaCl 80, NMDG 60, KCl 4, MgCl2 1, CaCl2 6, glucose 5 and HEPES 10 (pH=7.4, Osmolarity ˜300 mOsm). The extracellular solution was used as the wash, reference and compound delivery solution. The internal solution contained the following (in mM): CsF 110, CsCl 10, NaCl 10, EGTA 10, HEPES 10 (pH=7.2, Osmolarity ˜295 mOsm). The compound plate was created at 2× concentrated in the extracellular solution. The compound was diluted to 1:2 when added to the recording well. The amount of DMSO in the extracellular solution was held constant at the level used for the highest tested concentration. For the voltage clamp experiments on Cav3.1, data were sampled at 10 KHz. After establishment of the seal and the passage in the whole cell configuration, the cells were held at −120 mV. Cav3.1 current was evoked using a 100 ms step to −20 mV (to measure resting state block), followed by a 1600 ms step to −65 mV and a second 100 ms step to −20 mV (to measure voltage dependent block). The voltage protocol was applied every 15 seconds in the absence and in the presence of the compounds under investigation. 2.5 mM Nickel was used to completely inhibit Cav3.1 current to allow for offline subtraction of non-Cav3.1 current. Current amplitude (pA) was measured in the peak 1 and 2. The average of last 3 sweeps of each liquid period (vehicle, compound under investigation, full block) was calculated. Nickel-sensitive current was used to calculate the % of inhibition in the presence of the compound under investigation.
13056	2	In Vitro Cav3.1 Single Point and IC50 (VDB) Data	The compound plate was created at 2× concentrated in the extracellular solution. The compound was diluted to 1:2 when added to the recording well. The amount of DMSO in the extracellular solution was held constant at the level used for the highest tested concentration. For the voltage clamp experiments on Cav3.1, data were sampled at 10 KHz. After establishment of the seal and the passage in the whole cell configuration, the cells were held at −120 mV. Cav3.1 current was evoked using a 100 ms step to −20 mV (to measure resting state block), followed by a 1600 ms step to −65 mV and a second 100 ms step to −20 mV (to measure voltage dependent block). The voltage protocol was applied every 15 seconds in the absence and in the presence of the compounds under investigation. 2.5 mM Nickel was used to completely inhibit Cav3.1 current to allow for offline subtraction of non-Cav3.1 current. Current amplitude (pA) was measured in the peak 1 and 2. The average of last 3 sweeps of each liquid period (vehicle, compound under investigation, full block) was calculated. Nickel-sensitive current was used to calculate the % of inhibition in the presence of the compound under investigation.
13057	1	ADP-Glo Kinase Assay	In order to measure RIPK1 activity the ADP-Glo kinase assay (Promega, Catalog #V7002) was used to measure the conversion of ATP to ADP. This enzymatic assay was performed in a 384-well white, Optiplate (Perkin Elmer, Catalog #6007299) with assay buffer consisting of 50 mM HEPES pH 7.5 (Gibco, Catalog #15630-080), 50 mM NaCl (Teknova, Catalog #S0252), 30 mM MgCl2 (Ambion, Catalog #AM9530G), 1 mM DTT (Santa Cruz Biotechnology, Catalog #sc-29089), 0.05% BSA (Sigma, Catalog #A3059-50G) and 0.02% CHAPS (Sigma, Catalog #C5070-5G). Stock solutions of the test compounds were prepared in 100% DMSO (Sigma, Catalog #D2650) and serially diluted 1:3 using 100% DMSO. Compounds were additionally diluted 1:40 in assay buffer, and 2 μL/well were transferred to the assay plate. 4 μL/well (final concentration of 5 nM) of RIPK1 protein (SignalChem, Catalog #R07-1IG-05) diluted in assay buffer and added to the assay plate followed by a 10 minute preincutation at rt. 4 μL/well of ATP (Promega, Catalog #V7002) (final concentration of 50 μM) diluted in assay buffer were then added to the assay plate followed by a 6 h reaction time. Final concentrations of RIPK1 and ATP refer to a 10 μL volume. Luminescence was measured using a BioTek Synergy™ NEO plate reader. IC50 values were calculated using a four-parameter logistic curve fit using Genedata Screener software.
13058	1	Inhibition of KIF18A Enzyme Activity	The ADP-Glo method was used to test the enzymatic activity of KIF18A. The compound was diluted 3-fold with DMSO at a starting concentration of 3000 nM, for a total of ten concentrations, and tested in duplicate. Echo was used to transfer 25 nL of the diluted compound to a 384-well plate, and 2.5 μL of enzyme working solution was added. Plate was centrifuged at 1000 rpm for 1 min, and incubated at 25° C. for 10 min. 2.5 μL of ATP and substrate solution was added to start the reaction, and plate was incubated at 25° C. for 60 min. 4 μL of ADP-Glo solution was added to the 384-well plate, and plate was incubated at 25° C. for 40 min. 8 μL of detection solution was added and incubated at 25° C. for 40 min, and BMG was used to read the fluorescence value. Inhibition rate was calculate according to the following formula: Inhibition rate (%)=(DMSO well−compound well)/(DMSO well−blank control well)×100%. The IC50 value of each compound was analyzed using the nonlinear regression method of XLFit 5.5.0 software. The formula is: Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((Log IC50−X)*HillSlope)). 
13059	1	FAK Kinase Assay	The inhibitory activity of a compound against FAK was determined in a buffer containing 5 mM HEPES, pH 7.5, 0.01% Triton, 0.5 mM EGTA, and 0.01% BRIJ™-35 in a 384-well assay plate. The assay was carried out in the presence of the FAK at 1 nM and ATP at 6.8 μM using fluorescein-polyGT (0.2 μM) as an FAK substrate. Each assay mixture was incubated at room temperature for 30 min. A LANTHASCREEN® Tb-PY20 antibody was added to each well to stop the enzymatic reaction. The plate was incubated at room temperature for 60 min before reading on an ENVISION using TR-FRET module (excitation at 340 nm and emission at 520 nm and 495 nm).
13060	1	Binding Assay of Compounds to AT2R	The assay was performed in accordance with the instruction manual of Angiotensin AT2 Receptor Ligand Binding Assay Kit (#C1TT1AT2, Cisbio). First, a compound stock solution (10 mM) was diluted in a gradient at a 5× dilution ratio (including 10 concentrations, each with two replicates). 160 nL of compounds at different concentrations was added to a 384-well plate. 40 μL of 1×TLB was added to each well, and the mixture was shaken at room temperature for 15 minutes. 15 mL centrifuge tube added with 5 mL of 1×TLB was prepared in advance. The frozen labeled cells were thawed in a water bath at 37° C. (for 1 to 2 minutes), and the thawed cells were quickly transferred to the above 15 mL centrifuge tube. The mixture was mixed well and centrifuged at 1,000 g at room temperature for 5 minutes. The supernatant was removed, and the cells were resuspended by adding 2.7 mL 1×TLB. A new 384-well plate was taken, and 10 μL of mixed cells were added into the corresponding wells according to the assay design. 5 μL of 4× compound solution and 5 μL of 4× Tag-lite red fluorescent labeled ligand were added to each well. After incubation at room temperature for 1 hour, data were read using EnVision with an HTRF mode. The excitation light intensities at 665 nM and 615 nM in each well were read respectively, and the ratio was calculated (Ratio=A665nMIB615 nM). The IC50 value was calculated by means of GraphPad Prism8 software, where X represents logarithmic value of compound concentration; and Y represents ratio of A665 nM/B615 nM.
13061	1	FP Binding Assay (PARP1, PARP2)	The PARP1 and PARP 2 protein and the PARPi-FL were purchased from BPS Bioscience. The assay buffer was 50 mM Tris pH 8.0, 0.001% Triton X-100, 10 mM MgCl2, 150 mM NaCl. The compounds were diluted into top point concentration in 384PP-plate and transferred serially into an Optiplate-384F plate. Compound (20 nL) or DMSO was added to assay plate and then 10 μL of 40 nM PARP1 or PARP2 (diluted using assay buffer) was added. The assay plate was centrifuged at 1000 rpm for 1 min and then incubated for 30 min at rt. 6 nM PARPi-FL (diluted using assay buffer) (10 uL) was added to the plate (final concentration of PARP1 and PARP2 was 20 nM, and PARPi-FL was 3 nM). After centrifuging at 1000 rpm for 1 min, the assay plate was incubated at rt 4 h. The plates were read using Envision with Excitation filter. The data analysis was done by calculating the inhibition rate using mP value using the following equation. Inhibition (%)=(1−mpC−mpL)/mpH−mpL×100%.
13062	1	FLIPR Calcium 4 Assay	The antagonistic activity of human P2X3 receptor (hP2X3) antagonists against hP2X3 was evaluated using the FLIPR Calcium 4 Assay Kit (Molecular Devices, R8141) and FLIPR TETRA instrument (Molecular Devices, 0296) to detect calcium flux signals. 24 h before the experiment, human cells stably transfected with the hP2X3 receptor were seeded into a 384-well plate at a density of 2×105 cells/mL, with 50 μL of cell suspension per well. The cells were then incubated in a 5% CO2 incubator at 37° C. for 16-24 h. Each test compound was prepared in DMSO at 180 times the desired concentration (20-50 mM DMSO stock solution). 500 nL of the solution was then added to each well of the 384-well plate, followed by addition of 30 μL of FLIPR Assay buffer (lx HBSS containing 1.26 mM Ca2++2 mM CaCl2), 20 mM HEPES). The mixture was shaken for 20-40 min to ensure homogeneous mixing. An agonist (α,β-meATP) was prepared using FLIPR Assay buffer at 3 times the desired concentration (desired final concentration of 400 nM). 45 μL of the agonist was then added to each well of another 384-well plate. The cell culture plate prepared one day ago was taken, and the cell supernatant was aspirated and discarded. 30 μL of Dye (FLIPR® Calcium 4 Assay Kit, diluted in FLIPR buffer) was added to each well. The plate was then incubated for 1 h. 15 μL of the compound was added to the cells in each well (using the FLIPR instrument). After 15 min, 22.5 μL of the agonist was added to each well. The fluorescence signal was detected (with an excitation wavelength of 470-495 nm and an emission wavelength of 515-575 nm). Taking the difference between the peak and trough values of the signal as the base data, the data for the highest concentration of the positive drug as the 100% inhibition rate, and the DMSO data as the 0% inhibition rate, the inhibition effect curve of the compound was fitted on the software Graphpad Prism 6, and the IC50 value was calculated.
13063	1	In vitro Assay: IC50 Measurements for binding to CRBN/DDB1	The binding potency was determined using HTRF assay technology (Perkin Elmer). Compounds were serially diluted in DMSO and 0.2 μL volume was transferred to white 384-well plate. The reaction was conducted in total volume of 20 μL with addition of 2 nM His tagged CRBN+DDB−DLS7+CXU4 (Wuxi, catalogue #RP210521GA) to compounds followed by addition of 60 nM Fluorescent probe Cy5-labeled Thalidomide (Tenova Pharma, catalogue #T52461), and 0.4 nM of MAb Anti-6HIS Tb cryptate Gold (Cisbio, catalogue #61HI2TLA in the assay buffer (50 mM HEPES pH 7.5, 1 mM TCEP, 0.01% Brij-35, 50 mM NaCl, and 0.1% BSA). After one hour incubation at room temperature, the HTRF signals were read on Envision reader (Perkin Elemer). Data was analyzed using XLfit using four parameters dose response curve to determine IC50s.
13064	1	TBD	TBD
13065	1	Kinase Inhibition Assay (Inhibition of Enzymatic Axl Kinase Activity)	Compounds of Formula (I) as obtained above were initially diluted to 10 nM in 100% DMSO (CALBIOCHEM™) for storage and made into kinase buffer solution to create a compound concentration ranging from 1 uM and 10 uM. Serial dilutions of the compounds were dispensed into a 96-well plate (GREINER BIOSCIENCES™) at 6 μL each. Truncated human Axl (CARNA BIOSCIENCES™) were diluted in kinase buffer and added to the compound solutions and pre-incubated for 30 minutes at room temperature. Next, ATP (TEKNOVA™) and substrate solution (suggested manufacture substrates of PERKINELMER™, for example, ULIGHT™-TK peptide) for Axl (PERKINELMER™) was added (12 μL each) to the wells containing the compound solution and enzyme. The reaction mixture was incubated for 1 hour. Following the incubation, the stop solution made with EDTA, water, and Lance detection buffer (PERKINELMER™) were added (12 μL each) to stop phosphorylation. Following the addition of the stop solution and 5 minutes of shaking, the detection solution containing the Europium-labeled antibody (suggested manufacture substrates of PERKINELMER™, for example, PT66 for Axl), water, and Lance detection buffer were added (12 μL) to the reaction mixture and incubated again for 50 minutes. Substrate phosphorylation was a function of the 665 nm emission measured following the addition of the detection solution and 50 minutes of incubation.
13066	1	In Vitro Affinity Assay	TBD
13067	1	FGFR Enzyme Binding Assay	Table EA: The potency of compounds inhibiting human isoforms of FGFR kinase was determined using Life Technologies&#39; Homogeneous Time Resolved Fluorescence (HTRF)-based binding assay technology. An incubation was conducted with either 5 nM dephosphorylated FGFR1 (Array Biopharma, p1702; SEQ ID NO: 1, amino acids 458 to 765, dephosphorylated by co-expression with PTP1b (protein tyrosine phosphatase 1B)), 5 nM dephosphorylated FGFR2 (Life Technologies, Cat. No. PV4106 that had been dephosphorylated with Lambda protein phosphatase (New England Biolabs, cat #P0753)) or 5 nM phosphorylated FGFR3 (Array Biopharma, p1836; SEQ ID NO: 5, amino acids 449 to 759), 50 nM Kinase Tracer 236 (Life Technologies Cat. No. PR9078A), 2 nM Biotin-anti-6HIS (Life Technologies Cat. No. PV6090) and 2 nM Europium-Streptavidin (Life Technologies Cat. No. PV6025) along with test compound in a buffer consisting of 50 mM HEPES ((4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, pH 7.5), 5 mM MgCl2, 0.005% Triton X-100, 1 mM DTT, 1 mM NaVO4 and 2% DMSO in a final volume of 12 μL Compounds were typically prepared as a 3-fold or 4-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 60 minute incubation at 22° C., the extent of tracer displacement was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using no test compound, and 0 POC was determined in the presence of 1 μM of an appropriate control inhibitor. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
13067	2	FGFR1 Enzyme Activity Assay	Table EB: FGFR1 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by Time-resolved fluorescence energy transfer (TR-FRET) using a flourescently-labeled peptide and Europium-labeled antibody. Briefly, 200 pM His-tagged recombinant human FGFR1 catalytic domain (amino acids 308-731) (Life Technologies Cat. No. PR4660A) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 15 μM ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 20 minutes incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA was added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
13067	3	FGFR2 Enzyme Activity Assay	Table EB: FGFR2 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by TR-FRET using a flourescently-labeled peptide and Europium-labeled antibody. Briefly, 200 pM His-tagged recombinant human FGFR2 cytoplasmic domain (amino acids 403-822) (Life Technologies Cat. No. PR5332A) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 15 μM ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 20 minute incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
13067	4	FGFR3 Enzyme Activity Assay	Table EB: FGFR3 kinase activity was measured by the Invitrogen LanthaScreen™ Assay technology which directly measures the amount of substrate phosphorylation by TR-FRET using a flourescently-labeled peptide and Europium-labeled antibody. Briefly, 750 pM N-terminal GST-HIS6 fusion protein with a 3C cleavage site recombinant human FGFR3 (amino acids R397-T806) (ProQinase Cat. No. 1068-0000-1) was incubated with 100 nM Alexa Fluor® 647-Poly-GT Peptide Substrate (Life Technologies Cat. No. PV5836) and 25 μM ATP along with test compound in a buffer consisting of 250 mM HEPES, 25 mM MgCl2, 0.05% TritonX-100, pH 7.5, and 2% DMSO. Compounds were typically prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After a 10 minute incubation at 22° C., an equal volume of 2 nM LanthaScreen® Eu-PY20 Antibody (Life Technologies Cat. No. PV5691) and 10 mM EDTA were added to quench the kinase reaction and start the detection reaction. After an additional 60 minute incubation at 22° C., the reaction was measured using a PerkinElmer EnVision multimode plate reader via TR-FRET dual wavelength detection, and the percent of control (POC) calculated using a ratiometric emission factor. 100 POC was determined using no test compounds and 0 POC was determined using no enzyme. The POC values were fit to a 4-parameter logistic curve as a function of the concentration of the compound, and the IC50 value is the point where the curve crosses 50 POC.
13068	1	TYK2 JH2 Domain Binding Assay	Streptavidin-coated magnetic beads were treated with biotinylated small molecule ligands for 30 minutes at room temperature to generate affinity resins for kinase assays. The liganded beads were blocked with excess biotin and washed with blocking buffer (SeaBlock (Pierce), 1% BSA, 0.05% Tween 20, 1 mM DTT) to remove unbound ligand and to reduce non-specific binding. Binding reactions were assembled by combining TYK2 (JH2domain-pseudokinase), liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05% Tween 20, 6 mM DTT). Test compounds were prepared as 111× stocks in 100% DMSO. All test compounds were shipped to DiscoverX in DMSO with concentration of 10 mM. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. Each compound was tested in duplicate. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1x PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1x PBS, 0.05% Tween 20, 0.5 M non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.
13068	2	JAK1 JH2 and JAK2 JH1 Domain Binding Assay	Similar to the method for TYK2 JH2 binding described above, JAK1 JH2 and JAK2 JH1 domain binding assay was performed using DiscoverX&#39;s KINOMEscan™, but with change of kinase domain. These assays were performed to compare the binding selectivity of test compounds to JAK1 JH2 and JAK2 JH1 domain
13069	1	In Vitro Biochemical Kinase Assay of FGFR 1-3	1. The kinase reaction in the present invention was carried out in 384-well plates, the kinase(Carna) at a certain concentration and ATP at a certain concentration and 1 μM of peptide FAM-P22 (GL Biochem, Cat. No. 112393)) was incubated to react for a certain time at 28° C. in a reaction system consisting of 50 mM HEPES, pH47.5, 0.0015% Brij-35 and basic kinase buffer; for FGFR1, the enzyme concentration was 0.25 nM and ATP concentration was 382 μM and the reaction time was 20 minutes; for FGFR2, the enzyme concentration was 2.5 nM, ATP concentration was 1 μM, and the reaction time was 40 minutes; for FGFR3, the enzyme concentration was 8 nM, ATP concentration was 4.7 μM, and the reaction time was 30 minutes:2. The reaction was terminated with a stop solution (100 mM HEPES, pH 7.5, 0.2% Caliper coating, reagent, 50 mM EDTA and 0.015% Brij35);3. The plate with the terminated kinase reaction was transferred to the Caliper workstation to read the data;4. the phosphorylated and unphosphorylated peptides were separated by the Caliper microfluid migration shift technique, and the analyte was transferred by a constant buffer flow through the chip, the migration of the substrate peptide was monitored by the labeled fluorescent signal, and the kinase activity was calculated by the amount of the phosphate-based peptide formed.5. IC50 was determined by non-linear regression analysis of percent inhibition at different concentration level of the compound.
13070	1	PDE5 Assay	Purpose: Evaluation of the effects of compounds of the present invention on the activity of the human phosphodiesterase-5 quantified by measuring the formation of 5′GMP from cGMP using PDE5 enzyme isolated from human platelets. The latter was effected in accordance with the method as described by Masaaki I, Nishikawa M, Fujioka M, Miyahara M, Isaka N, Shiku H, Nakano T, Cell Signal (1996), 8(8):575-581.Experimental protocol: The test compound, i.e. the compound of the present invention, reference compound or water (control) are added to a buffer containing 40 mM Tris/HCl (pH 7.8), 3 mM MgCl2, 1.4 mM DTT 0.21% BSA, 200 mM NH4Cl, 1 μM cGMP and 0.1 μCi [3H]cGMP. Thereafter, the reaction is initiated by addition of the enzyme and the mixture is incubated for 60 min at 22° C.For basal control measurements, the enzyme is omitted from the reaction mixture. Following incubation SPA beads are added. After 20 min at 22° C. under shaking, the amount of [3H]5′GMP is quantified with a scintillation counter (Topcount, Packard).
13071	1	In Vitro Activity Assay of JAK1	JAK1(h) was incubated with 20 mM Tris/HCl pH 7.5, 0.2 mM EDTA, 500 μM MGEEPLYWSFPAKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 μL of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and analyzed using a scintillation counter.
13071	2	In Vitro Activity Assay of JAK2	JAK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 μL of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and analyzed using a scintillation counter.
13071	3	In Vitro Activity Assay of JAK3	JAK3(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 500 μM GGEEEEYFELVKKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 μL of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and analyzed using a scintillation counter.
13071	4	In Vitro Activity Assay of TYK2	TYK2(h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM magnesium acetate and [γ-33P]-ATP (activity and concentration were determined as required). The reaction was started by adding the Mg/ATP mixture and terminated by adding 0.5% phosphoric acid after 40 min of incubation at room temperature. 10 μL of the reaction mixture was then added dropwise on a P30 filter pad and washed three times with 0.425% phosphoric acid and once with methanol within 4 minutes, dried and analyzed using a scintillation counter.
13072	1	Enzymatic Assay for MASP-2	The MASP-2 assay utilizes a fluorogenic substrate, based on the cleavage site for its natural substrate C2. The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50 values were equivalent to Ki values, except in a few cases of “tight binding” inhibitors. Cases of “tight binding” or possible “slow binding” inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed., John Wiley and Sons, Inc., Chapters 5-7.The MASP-2 assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nL of each dilution was transferred to the assay plate(s). 10 μL of Assay Buffer was added, followed by 15 μL of Enzyme (MASP-2 (CCP1-CCP2-SP) in Assay Buffer. 15 μL of Substrate in Assay Buffer was then added and mixed to start the reactions. After 20 min at room temperature, 15 μL of a stop solution (0.1 M acetic acid) was added, mixed and the plates were read on a SpectraMax i3x Microplate Reader and exported as Excel files. Each assay plate included a “no inhibitor” (DMSO Only) control, a “no enzyme” control and a reference inhibitor control. % Activity values=100*(ave. test comp. fluorescence−ave. “no enz” fluorescence)/(ave. “DMSO only” fluorescence−ave.“no enz” fluorescence). IC50 and Ki values were very reproducible, falling well within 2-fold.
13072	2	Enzymatic Assay for Thrombin	The thrombin assay utilizes a fluorogenic peptide substrate (Boc-VPR-AMC (R&D Systems) and was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50 values were equivalent to Ki values, except in a few cases of “tight binding” inhibitors. Cases of “tight binding” or possible “slow binding” inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed. John Wiley and Sons, Inc., Chapters 5-7.The thrombin assay protocol was carried out as follows. Test compounds were serially diluted in DMSO and then 100 nl of each dilution was transferred to the assay plate(s). 10 μL of Assay Buffer was added, followed by 15 μL of enzyme (human α-thrombin (BioPharm Lab.)) in assay buffer. 15 μL of substrate in assay buffer were then added and mixed to start the reactions. After 20 min at room temperature, 15 μL of a stop solution (0.1 M acetic acid) was added, mixed and the plates were read on a SpectraMax i3x Microplate Reader and exported as Excel files. Each assay plate included a “no inhibitor” (DMSO Only) control, a “no enzyme” control and a reference inhibitor control. % Activity values=100*(ave. test comp. fluorescence−ave.“no enz” fluorescence)/(ave. “DMSO only” fluorescence−ave. “no enz” fluorescence). IC50 and Ki values were very reproducible, falling well within ±2-fold.
13073	1	CAMP Assays	Activation of GLP-1 receptor is known to stimulate cyclic AMP (cAMP) production in cells which indicates primary coupling to the Gαs subunit of the G protein heterotrimeric complex. Evidence suggests signaling through Gαs induced CAMP stimulation elicits the desired pharmacological response regarding insulin release from pancreatic β-cells.  To optimize functional activity directed toward Gαs coupling, a HEK293/CRELuc cell line developed by HDB stably expressing the GLP-1 Receptor was used. 200× concentration of compound working solutions were prepared (Agilent Technologies Bravo) with 1/2 log serial dilution in 384-well Echo LDV plate (Labcyte, Cat #LP-0200). 50 nL/well 200× concentration of compound working solutions were moved to 384-well white low volume plate (Greiner, Cat #784075) using Labcyte ECHO550. 1×105 cells/mL HEK293/GLP1R/CRE-LUC (HD Biosciences) cell suspensions prepared with assay buffer [DPBS containing 0.5 mM IBMX (Sigma,Cat #I5879) and 0.1% BSA (GENVIEW, Cat #FA016-100 g)], 10 uL cell suspensions were added to each well of previous generated assay plate which already contains 50 nl compound at 200× concentration using ThermoFisher Multidrop Combi (1000cells/well). Seal the plate and incubate at 37° C. with 5% CO2 for 30 min.
13074	1	BRAFV600E Enzyme Activity Test	BRAFV600E (ABCAM, ab204154) and MEK1K97R (USBio, M2865-06J) proteins were diluted at an appropriate dilution factor using 1× Assay buffer (PH=7.4 Tris-HCl buffer, supplemented with 10 mM MgCl2) such that the final concentration of BRAFV600E was 10 ng/μL and the final concentration of substrate MEK1K97R was 1 μM. 1 μL of BRAFV600E, 1 μL of compound serial dilution (final concentration starting from 2 μM, 5-fold dilution, 8 concentrations), and 6 μL of Assay buffer were pipetted to a 384-well reaction plate with a capacity of 20 μL. The plate was pre-incubated in a constant temperature incubator at 37° C. for 30 min. 1 μL of 200 μM ATP and 1 μM MEK1K97R were added to the reaction wells corresponding to the compound incubation, mixed evenly by vortexing, and pre-incubation was performed in a constant temperature incubator at 37° C. for 60 min for enzymatic reaction. After the reaction was completed, 5 μL of the above reaction product was pipetted to another 384-well plate, and 5 μL of formulated ADP-Glo· Reagent (Promega, V9101) was added and mixed evenly by pipetting, and then the plate was placed at room temperature for 40 min. 10 μL Kinase Detection Reagent was added to the 384-well plate and incubated at room temperature for 40 min. Finally, a microplate reader (BMG LRBTECH) was used and Luminescence module was selected to detect the LUM fluorescence value of each well.
13075	1	Human Cav3.1 calcium channel activity via a patch clamp assay	In some embodiments, the method of treating a depressive disorder, e.g., major depressive disorder, provides a therapeutic effect (e.g., as measured by reduction in the HAM-D score) within 14, 10, 4, 3, 2, or 1 days, or 24, 20, 16, 12, 10, or 8 hours or less. In some embodiments, the method of treating the depressive disorder, e.g., major depressive disorder, provides a therapeutic effect (e.g., as determined by a statistically significant reduction in HAM-D total score) within the first or second day of the treatment with a composition described herein. In some embodiments, the method of treating the depressive disorder, e.g., major depressive disorder, provides a therapeutic effect (e.g., as determined by a statistically significant reduction in HAM-D total score) within less than or equal to 14 days since the beginning of the treatment with a composition described herein. In some embodiments, the method of treating the depressive disorder, e.g., major depressive disorder, provides a therapeutic effect (e.g., as determined by a statistically significant reduction in HAM-D total score) within less than or equal to 21 days since the beginning of the treatment with a composition described herein. In some embodiments, the method of treating the depressive disorder, e.g., major depressive disorder, provides a therapeutic effect (e.g., as determined by a statistically significant reduction in HAM-D total score) within less than or equal to 28 days since the beginning of the treatment with a compound or composition disclosed herein. In some embodiments, the therapeutic effect is a decrease from baseline in HAM-D total score after treatment with a compound or composition disclosed herein. In some embodiments, the HAM-D total score of the subject before treatment with a compound or composition disclosed herein is at least 24. In some embodiments, the HAM-D total score of the subject before treatment with a compound or composition disclosed herein is at least 18. In some embodiments, the HAM-D total score of the subject before treatment with a compound or composition disclosed herein is between and including 14 and 18. In some embodiments, the decrease in HAM-D total score after treating the subject with a compound or composition disclosed herein relative to the baseline HAM-D total score is at least 10. In some embodiments, the decrease in HAM-D total score after treating the subject with a compound or composition disclosed herein relative to the baseline HAM-D total score is at least 15. In some embodiments, the HAM-D total score associated with treating the subject with a compound or composition disclosed herein is no more than a number ranging from 6 to 8. In some embodiments, the HAM-D total score associated with treating the subject with a compound or composition disclosed herein is no more than 7.
13076	1	TBD	TBD
13076	2	TBD	TBD
13077	1	PARP1 and PARP2 Chemiluminescent Assay	The solution of recombinant poly(ADP-ribose) polymerase 1 and 2 (PARP1 and PARP2) (40 ng enzyme/well) and the compounds to be tested were mixed, respectively. The solutions were added to a 96-well plate coated with histone mixture, incubated at room temperature for 1 h, then 50 μL 0.3 ng/mL Streptavidin-HRP was added to each well. The plates were incubated for 30 minutes at room temperature. Finally, the plates were treated with streptavidin-HRP followed by addition of the ELISA ECL substrate to produce chemiluminescence that can be measured using a chemiluminescence reader. Inhibition of the tested compound to PARP1/2 enzyme activity was calculated according to the following formula.Inhibition ⁢ ( % ) = Readings ⁢ of ⁢ positive ⁢ control - X Readings ⁢ of ⁢ positive ⁢ control - Readings ⁢ of ⁢ negative ⁢ controlIC50 value is obtained by fitting the s-shaped dose response curve equation by using XL Fit software. The curve equation is Y=100/(1+10{circumflex over ( )}(logC−logIC50)), C is the compound concentration.
13077	2	The Inhibitory Effect of the Compounds on PDE3A	A PDE3A fluorescence polarization (FP) assay in a multi-step format was performed using black, round bottom 384-well plates (Corning, 4514). The testing compounds were serially diluted from stock solutions to 11 concentrations with a 3-fold dilution factor using DMSO. Fifty nl of compound dilutions was mixed with 5 μl of reaction buffer (10 mM Tris-HCl, pH 7.2, 10 mM MgCl2, 0.05% NaN3, 0.1% phosphate-free BSA) containing 0.2 μM FAM-cAMP (BPS, 60200) and 2 nM PDE3A (Sino Biological, 11908-H20B1) enzyme, and incubated for 60 min at 25° C. Afterwards, 15 μl binding agent mixture (Molecular Devices, R8124) was added to each well and the plate was incubated for 60 min at 25° C. The plate was loaded to a BMG PHERAstar FSX to read Fluorescence Polarization (FP) values at a setting of: Ex: 485 nm and Em: 520 nm. Emission light intensity with polarizers parallel (Emi) and emission light intensity with polarizers perpendicular (Emi) were recorded. The Polarization (mP) values were calculated using the following formula: mP=(SignalEml−SignalEm⊥)/(SignalEml+SignalEm⊥).
13078	1	DGK ADP-Glo Kinase Assay	The DGKa and DGKz kinase assays were performed using Promega ADP-Glo kit (Promega, Cat #V9102). One microliter test compound was added to a 384-well plate. Reactions were performed in a 5 uL volume by adding 2 uL mixture of DGK enzyme and 37.5 uM ATP in assay buffer (50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 mM CaCl2, 0.0025% BSA, and 1 mM DTT). The final concentration of DGK a, DGKz and ATP were 10 nM, 5 nM and 15 uM. The enzyme solution was incubated with test compound at 25° C. for 20 min. For the preparation of the substrate of micelles, 1 volume of a 16.1 mM solution of 1,2-dioleoyl-sn-glycerol in chloroform was slowly evaporated using a nitrogen stream. Subsequently, 22.55 volumes of a 510 mM solution of octyl-b-D-glucopyranoside in 50 mM MOPS buffer (pH 7.5) were added, and the mixture was sonicated in an ultrasonic bath for 20 s. Then 35 volumes of 50 mM MOPS buffer (pH7.5) were added to yield a solution of 0.28 mM 1,2 dioleoyl-sn-glycerol and 200 mM octyl-b-D-glucopyranoside, which was aliquoted, flash-frozen in liquid nitrogen, and stored at −80° C. until use. The reaction was initiated by the addition of 2 μL of substrate solution (7 uM 1.2-dioleoyl-sn-glycerol, 5 mM octyl-b-D-glucopyranoside in the 5 ul assay volume). The resulting mixture was incubated at 25° C. for 40 minutes. Next, 5 ul of ADP-Glo-reagent was added to the plate and incubated for 40 minutes. Then 10 ul of kinase detection reagent was added and incubated for 30 minutes. Luminescence was recorded using an Tecan SPARK microplate reader. 1% DMSO vehicle was used as control and no enzyme well was used as blank well. The percent inhibition was calculated with the formula: % inhibition=100-100*(RLUcmpd−RLUblank)/(RLUcontrol−RLUblank). Inhibition at 50% activity (IC50) was calculated with the equation of Y=Bottom+(Top−Bottom)/(1+10{circumflex over ( )}((LogIC50−X)*Hill Slope)).
13079	1	Radioligand competition binding assay	The assay was carried out in a 200 μL system (96-well plate from Agilent) with 100 μL of cell membrane. The concentration of 3H-flunitazepam (from PerkinElmer, lot: NET567250 UC) was 1 nM and the concentration of test compound was in the range 1×10−5-10−6 M. Flumazenil (from Tocris; lot: 1318) was used as a control. 1 μL of 2 mM flumazenil (final concentration 10 μM) was added to the Low signal control well (Low control, LC) and 1 μL of DMSO (from Sigma aldrich, lot: 472301) was added to the High signal control well (High control, HC). The final target membrane protein concentration was 5 μg/well. All test compound sample stocks were 10 mM DMSO solutions. The working concentration of the samples is to dilute all samples with DMSO to 0.2 mM, and then perform 4-fold continuous gradient dilution for a total of 8 concentration gradients. The 96-well plate was sealed with a plate sealing membrane and then incubated on a shaker at room temperature for 1 hour. Meanwhile, GF/C filter plate was soaked with a plate soaking buffer (0.3% PEI, polyethyleneimine, purchased from Sigma aldrich, model: P314, stored at 4° C.) for at least 0.5 hours. After completion of binding incubation, the cells were collected with a cell collector onto the GF/C filter plate and washed four times with a plate washing buffer (50 mM Tris-HCl, pH 7.4, stored at 4° C.). After drying in an oven at 50° C. for 1 hour, the dried GF/C filter plate was bottom-sealed with a membrane, and the residual radioactivity of the filter membrane was detected by liquid scintillation counting method with 50 μL of scintillation fluid added per well and sealed, and the use of Microbeta2 (Microplate counter, purchased from PerkinElmer, Model: CNLL0153) for reading. The inhibitory activity of the test samples on the binding of 3H-flunitrazepam to the GABAA receptor membrane protein was calculated, the IC50 of each test sample was calculated by dose-effect curve fitting (by GraphPad Prism 5 software), and the Ki (inhibition constant) of the sample was calculated by IC50, thereby evaluating the binding ability of the compounds to BZD sites of α5-GABAA receptor and α2-GABAA receptor.
13080	1	ADP-Glo Kinase Assay	The principle of the activity assay was that TGFβR1 phosphorylates the substrate TGFβR1tide, consuming ATP in the process. This experiment employed the ADP-Glo method to detect kinase activity and determine the IC50 value, which was used to evaluate the inhibitory ability of the test compounds against human TGFβR1. In the experiment, DSM was used as a negative control, and LY364947 was used as a positive control. The specific experimental steps were as follows. Compounds were diluted 4-fold in DMSO in a dilution plate, with the final starting concentration of the compounds being 10 μM, across 10 concentration gradient points. The compounds were then further diluted 50-fold into the kinase reaction buffer and incubated on a shaker for 20 minutes. Kinase was formulated with an enzyme reaction buffer. 2 μl kinase was added to each well of the reaction plate. 1 μl of the compound diluted in buffer was added to each well, and then the plate was sealed with a sealing membrane and centrifuged at 1000 g for 30 seconds, leaving it at room temperature for 10 minutes. Solutions of TGFβR1tide and ATP were prepared with the kinase reaction buffer, and 2 μL of the TGFβR1tide/ATP solution was added to the reaction plate. The plate was sealed with a sealing film and centrifuged at 1000 g for 30 seconds. It was allowed to react at room temperature for 60 minutes. Subsequently, 4 μL of ADP-Glo was transferred to a 384-well reaction plate and centrifuged at 1000 rpm/min for 1 minute, followed by incubation at 25° C. for 40 minutes. Then, 8 μL of Detection solution was transferred to the 384-well reaction plate and centrifuged at 1000 rpm/min for 1 minute, after which it was incubated at 25° C. for 40 minutes. The RLU (Relative Luminescence Unit) signal was read using a BMG microplate reader, which was used to characterize the degree of kinase activity.
13081	1	Binding Inhibitory Test on BRD3 Protein	The binding inhibitory effect of the compounds of the present invention on the BRD3 protein among the BET proteins was tested as follows and confirmed. The compounds were diluted 1:5 serial dilutions in an assay buffer from a 10 mM stock in DMSO in a white OptiPlate. A mixture consisting of 100 nM GST BRD2 (BD1, BD2, BD1+BD2) and 100 nM biotinylated acetyl histone H4 (Lys5, 8, 12, 16) peptides was added to the diluent, and then each sample was incubated with shaking at 300 rpm for 30 minutes at room temperature in the dark. Thereafter, signals were measured with a PerkinElmer Envision HTS Multilabel Reader using a PerkinElmer Alpha Screen protocol. Determination of IC50 values was performed using GraphPad Prism 3.03 software.
13082	1	In Vitro Enzymatic Inhibition Activity Assay	Enzymatic activity assays of compounds of this patent against MAT2A (to detect half inhibitory concentration IC50 values of the compounds) were performed using the phosphate detection kit PiColorLockTM (ab270004, purchased from Abcam). This method utilized the principle that purified human MAT2A enzyme catalyzes the formation of S-adenosylmethionine (SAM) from L-methionine and ATP to release free phosphate, and used the spectrophotometric method to quantify phosphate, so as to determine the enzymatic activity of MAT2A. Compounds were diluted in a 10-fold gradient starting at 1 mM with 100% DMSO (for a total of 8 concentrations) and 2 μL of each concentration was added to 48 μL of reaction buffer (50 mM Tris-HCl PH 7.5, 50 mM KCl, 10 mM MgCl2, 0.01% Brij-35, 0.01% BSA, 1 mM DTT) and mixed well. The final diluted compound was prepared, and 5 μL of MAT2A enzyme (final concentration of 10 nM), 5 μL of ATP (final concentration of 50 μM), and 5 μL of L-methionine (final concentration of 100 μM) were added to each well of a 384-well plate (#3701, purchased from CORNING). After the 384-well plate was placed in the incubator at 23° C. for 6 h, 5 μL of PiColorLock reagent diluted Accelerator (dilution ratio 1:100) was added to each well, and the reaction was stopped by incubating in the incubator at 23° C. for 5 min. 2 μL of Stabiliser was added, the absorbance was read at 630 nm on BMG CLARIOstar, and the IC50 value of the compound was calculated by using GraphPad Prism software.
13083	1	PARP1 Enzymatic Activity Assay	1) 50 ng/mL of histone coating buffer was prepared with 1×PBS, and 25 μL of coating buffer was transferred to a 384-well reaction plate, which was coated at 4° C. overnight.  2) After the coating was completed, the coating buffer was discarded. The reaction plate was washed with PBST solution (1×PBS, 0.05% Tween-20) by transferring 50 μL of PBST to the 384-well reaction plate, allowing it stand for 5 minutes, discarding the washing buffer, refilling the washing buffer, repeating the washing three times, and finally patting the plate dry for blocking.  3) 50 μL of blocking buffer (1×PBS, 0.05% Tween-20, 5% BSA) was transferred to a 384-well reaction plate, which was allowed to stand for 1 hour. After washing, the blocking buffer was discarded. The reaction plate was washed three times with PBST solution as described above and finally patted dry.  4) 1000× compound was prepared. 1 μL of compound was transferred to a 96-well plate containing 199 μL of reaction buffer (50 mM Tris-HCl (pH 7.5), 0.005% Tween-20, 0.01% BSA) and mixed well. 5 μL of mixed compound was transferred to a 384-well reaction plate.  5) 25/10×PARP1-DNA solution was prepared with reaction buffer. 10 μL of PARP1-DNA solution was transferred to a 384-well reaction plate, and 10 μL of DNA solution was transferred to the negative control wells with a final PARP1 concentration of 0.02 nM and a final DNA concentration of 0.8 nM.  6) 25/10×NAD+ solution was prepared with reaction buffer. 10 μL of NAD+ solution was transferred to a 384-well reaction plate with a final NAD+ concentration of 3.5 μM, and the plate was incubated at room temperature for 60 minutes.  7) After the reaction was completed, the reaction buffer was discarded. The reaction plate was washed three times with PBST solution according to step 2 and finally patted dry.  8) Primary antibody was 2000-fold diluted with the blocking buffer. 20 μL of primary antibody was added to the reaction plate, which was incubated at room temperature for 1.5 hours.  9) The primary antibody was discarded. The reaction plate was washed three times with PBST solution according to step 2 and finally patted dry.  10) Secondary antibody was 2000-fold diluted with the blocking buffer. 20 μL of secondary antibody was added to the reaction plate, which was incubated at room temperature for 1 hour.  11) The secondary antibody was discarded. The reaction plate was washed three times with PBST solution according to step 2 and finally patted dry.  12) Femto-ECL Substrate A and Femto-ECL Substrate B were mixed at a ratio of 1:1, and 25 μL of the mixture was transferred to the 384-well reaction plate. The chemiluminescence value RLU was read with Envision.
13083	2	PARP2 Enzymatic Activity Assay	1) 100 ng/mL of histone coating buffer was prepared with 1×PBS, and 25 μL of coating buffer was transferred to a 384-well reaction plate, which was coated at 4° C. overnight. 2) After the coating was completed, the coating buffer was discarded. The reaction plate was washed with PBST solution (1×PBS, 0.05% Tween-20) by transferring 50 μL of PBST to the 384-well reaction plate, allowing it stand for 5 minutes, discarding the washing buffer, refilling the washing buffer, repeating the washing three times, and finally patting the plate dry for the next step of blocking. 3) 50 μL of blocking buffer was transferred to the 384-well reaction plate, which was allowed to stand for 1 hour. 4) After the blocking was completed, the blocking buffer (1×PBS, 0.05% Tween-20, 5% BSA) was discarded. The reaction plate was washed three times with PBST solution according to step 2 and finally patted dry. 5) 25/10×PARP2 solution was prepared. 10 μL of PARP2 solution was transferred to a 384-well reaction plate, and 10 μL of reaction buffer (50 mM HEPES (pH 7.5), 0.002% Tween-20, 0.1% BSA, 100 mM NaCl, 2 mM DTT) was transferred to the negative control wells with a final PARP2 concentration of 1.5 nM. 6) 2000× compound was prepared. 50 μL of compound was transferred with echo, then added with 19.95 μL of reaction buffer, and mixed well. 5 μL of mixed compound was transferred to a 384-well reaction plate. 7) 25/10× Biotin-NAD+ solution was prepared. 10 μL of NAD+ solution was transferred to a 384-well reaction plate with a final NAD+concentration of 2 μM, and the plate was incubated at room temperature for 60 minutes. 8) After the reaction was completed, the reaction buffer was discarded. The reaction plate was washed three times with PBST solution according to step 2. 9) Stre-HRP solution was prepared with dilution of blocking buffer. 25 μL of Stre-HRP solution was transferred to the reaction plate with a final Stre-RP concentration of 0.1 μg/mL, and the plate was incubated at room temperature for 1 hour. 10) The Stre-HRP solution was discarded. The reaction plate was washed three times with PBST solution according to step 2. 11) Femto-ECL Substrate A, Femto-ECL Substrate B, and QuantaRed ADHP were mixed at a ratio of 50:50:1, and 25 μL of the mixture was transferred to the 384-well reaction plate. The plate was incubated at room temperature for 10 minutes, and 2.5 μL of QuantaRed stop solution was added thereto. The fluorescence value (Ex 550/Em 620) was read using Paradigm.
13084	1	PARP1, PARP2 and PARP7 Enzyme Activity Inhibition Experiment	PARP1, PARP2 and PARP7 chemical fluorescence detection kits were all purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation was completed, the plate was washed three times with PBST (0.05% Tween-20). 25 μL of a blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation was completed, the plate was washed three times with PBST. 2.5 μL of compounds at different concentrations diluted in test buffer and 5 μL of 2.5× substrate mixed solution were added to the microwell plate. PARP1, PARP2 and PARP7 enzymes were diluted to 0.33, 0.23 and 5.00 ng/μL, respectively, 5 μL of the diluent was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes. After the incubation was completed, the plate was washed three times with PBST. Streptavidin-HRP was diluted 2000× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation was completed, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were mixed at a ratio of 1:1 (v/v), 25 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read using a BMG microplate reader.
13085	1	SARS2 Coronavirus 3CL Protease Assay	The enzymatic activity of SARS2 coronavirus 3CL protease was determined in a FRET (fluorescence resonance energy transfer)-based assay measuring the cleavage of a peptide substrate by recombinantly expressed and purified enzyme. Cleavage of the peptide SEQ ID NO:1 (CPC Scientific) by SARS2 3CL protease was measured in reaction buffer (50 mM Hepes pH 7.5, 0.01% Triton X-100, 0.01% BSA, 2 mM DTT). SARS2 3CL protease (5 nM final concentration) was pre-incubated with compound for 30 minutes before reaction initiation with peptide substrate (15 uM final concentration). Room temperature reactions (4 h) were quenched by addition of a high dose of inhibitor and read on an appropriate plate reader (excitation wavelength=495 nm, emission wavelength=520 nm). Data were analyzed by a standard 4 parameter fit to determine IC50 values.
13086	1	Human RNR Inhibition Effect	First, test compounds were serially diluted with DMSO. Next, human M1 protein and human M2 protein were added to an aqueous albumin solution derived from 0.02% fetal bovine serum, DMSO solution of the compound of the present disclosure or the control DMSO solution (final concentration of DMSO was 1%) was added, and the mixture was allowed to stand for 20 minutes. Thereafter, the reaction buffer [50 mM HEPES buffer (pH 7.2) at the final concentration, 4 mM magnesium acetate at the final concentration, 100 mM potassium chloride at the final concentration, 6 mM dithiothreitol at the final concentration, 2 mM adenosine triphosphate at the final concentration, 0.24 mM nicotinamide adenine dinucleotide phosphate at final concentration] and 10 μM CDP at the final concentration were added and incubated at 37° C. for 30 minutes to perform RNR reaction. Immediately after the reaction, the reaction was stopped by heating at 100° C. for 15 minutes, followed by centrifugation at 10,000 rpm for 10 minutes. After the centrifugation, a portion (5 μL) of the resulting supernatant was analyzed with a high performance liquid chromatography (Shimadzu Corporation, Prominence) using Shim-pack XR-ODS (manufactured by Shimadzu GLC Co., 3.0×100 mm). Elution was carried out at a measurement wavelength of 265 nm at a flow rate of 0.5 mL/min by a 9-minute concentration gradient from the 12:13 mixture of mobile phase A (10 mM potassium dihydrogen phosphate (pH 6.7), 10 mM tetrabutylammonium, 0.25% methanol) and mobile phase B (50 mM potassium dihydrogen phosphate (pH 6.7), 5.6 mM tetrabutylammonium, 30% methanol) to the same 2:3 mixture to measure the substrate CDP (RT 5.9 min) and the reaction product dCDP (RT 6.2 min).
13087	1	Human Complement Factor B TR-FRET Assay	240 nM activity agaist factor B when tested using the assay of Biological Example 1) (75 nM) were incubated with test compound at various concentrations up to 2 hours at RT in 20 mM Tris/HCl, PH 7.4, 0.005% (v/v) Tween20. The time-gated decrease in fluorescence intensity related to the competition between labeled and unlabeled factor B ligands was recorded at both 620 nm and 665 nm, 70 us after excitation at 337 nm using a microplate spectrofluorimeter. IC50 values were calculated from percentage of inhibition of complement factor B-(+) or (−)-2-((1E,3E,5E)-5-(1-(6-((2-(3-(4-((R)-3-amino-3-phenylpropanoyl)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-2-yl)phenoxy)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene) penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium (240 nM activity agaist factor B when tested using the assay of Biological Example 1) displacement as a function of test compound concentration.
13088	1	Mouse DPP1 Enzyme IC50 Assay	Table 2: Test articles were applied to active mouse DPP1 enzyme (R&D Systems; Minneapolis, MN) in Assay Buffer (50 mM MES pH 5.5, 50 mM NaCl, 5 mM DTT) in a total reaction volume of 125 μL. 25 μL of compound in Assay Buffer plus 5% DMSO was first added to 50 μL of active mouse DPP1 enzyme at a concentration of 62.5 pg/μL and allowed to pre-incubate for 10 minutes at 37° C. after which 50 μL of 1000 μM H-Gly-Arg-AMC substrate (Bachem; St. Torrance, CA) was added, giving final substrate concentration of 400 M and a final DMSO concentration of 1%. Substrate cleavage was measured for 90 minutes at 37° C., with fluorescence at Excitation/Emission 350/450 nm measured every 5 minutes. DPP1 concentration was interpolated based on its activity relative to a standard curve of recombinant active mouse DPP1 enzyme. IC50 values for each compound were calculated via the XLFit (IDBS Version 5.3.1.3) Add-On to Microsoft Excel using the four parameter fit equation y=(A+((B−A)/(1+ ((C/x){circumflex over ( )}D)))), which appears as equation number 205 (4 Parameter Logistic Model or Sigmoidal Dose-Response Model) in XLFit. Default constraints were used for each Parameter. IC50 was defined as the compound concentration at which 50% of enzyme activity was inhibited when compared to the no-compound control.
13088	2	Human DPP 1 Enzyme IC50 Assay	Table 3: Recombinant human DPP1 enzyme (R&D Systems; Minneapolis, MN) was first proteolytically processed into its mature form using recombinant human cathepsin L (R&D Systems) in a buffer consisting of 20 mM citric acid pH 4.5, 150 mM NaCl, 1 mM EDTA and 10 mM DTT. Test articles were applied to activated human DPP1 enzyme in Assay Buffer (25 mM MES pH 6.0, 50 mM NaCl, 5 mM DTT) in a total reaction volume of 125 μL. 25 μL of compound in Assay Buffer plus 5% DMSO was first added to 50 μL of activated human DPP1 enzyme at a concentration of 1 ng/μL and allowed to pre-incubate for 10 minutes at 37° C. after which 50 μL of 1000 μM H-Gly-Arg-AMC substrate (Bachem; St. Torrance, CA) was added, giving final substrate concentration of 400 M and a final DMSO concentration of 1%. Substrate cleavage was measured for 90 minutes at 37° C., with fluorescence at Excitation/Emission 350/450 nm measured every 5 minutes. DPP1 concentration was interpolated based on its activity relative to a standard curve of activated human recombinant DPP1 enzyme. IC50 values for each compound were calculated via the XLFit (IDBS Version 5.3.1.3) Add-On to Microsoft Excel using the four parameter fit equation y={A+[(B−A)]/[1+((C/x){circumflex over ( )}D)]}, which appears as equation number 205 (4 Parameter Logistic Model or Sigmoidal Dose-Response Model) in XLFit. Default constraints were used for each Parameter. IC50 was defined as the compound concentration at which 50% of enzyme activity was inhibited when compared to the no-compound control.
13089	1	SPR Assay to Determine Binding Affinity to FK506-Binding Proteins (FKBP)	N-terminal avi-his6 tagged FKBP fusions to FKBP12, FKBP51 and FKBP52 were expressed in E. coli and purified using standard chromatography. Each protein was subsequently immobilized on a streptavidin chip in a Biacore 8K SPR instrument (GE Healthcare). Using single-cycle kinetics, compound titrations were flowed at 45 uL/min over each surface using 2-minute association and 30-minute dissociation phases in a buffer containing 50 mM Tris pH 7.5/150 mM NaCl/0.01% Tween 20/1 mM DTT/2% DMSO. The data was fit using low molecular weight (LMW) single-cycle kinetics. The equilibrium dissociation constants (KD) are reported.
13315	1	Surface Plasmon Resonance (SPR)	The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). Myc-tagged cereblon was immobilized on a carboxymethylated dextran surface (CM5) amine coupled to anti-Myc antibody to recognize the Myc tag. His-tagged cereblon protein was immobilized on a carboxymethylated dextran surface with nitriloacetic acid (NTA), taking advantage of NTA/Ni2+ chelation. The prepared surface was allowed to equilibrate over three hours in running buffer (10 mM HEPES buffer @pH 7.4, 150 mM NaCl, 0.005% P20,2% DMSO). All compounds were prepared in 100% DMSO stock plates with a top concentration of 5 mM in a 3× serial dilution. Compounds were transferred from the stock plate to the assay plate and diluted into running buffer containing no DMSO. All compounds were run as a six-concentration series with a final assay top concentration of 100 μM.Data analysis was performed in Scrubber 2 (BioLogic software, Campbell, Australia).
13316	1	Biological Assay	On the day of the assay, the reagents were prepared following the FLIPR® Potassium Assay Kit manual: prepare 2× dye solution, dilute the dye with assay buffer (20 mM HEPES in 1× HBSS, PH7.4), addition of probenecid to a final concentration of 5 mM, and vortexed vigorously for 1-2 minutes. The cell plate was flicked to remove medium and tapped on paper towels to remove excess media. The assay buffer and 2× dye solution were mixed 1:1 and added to each well for a total volume of 201 per well. The cell plate was moved to a plate shaker, agitated at 600 rpm for two minutes, and then incubated at 25° C. for one hour.The compounds were prepared in DMSO and transferred to a 384-well compound plate (PP, low binding), referred to as a source plate. Reference agonist (300 nM) compound and test inhibitor (10 mM) compounds were added to the compound plate and a 4-fold serial dilution was performed in DMSO. Using an ECHO dispenser, compounds were dispensed at 90 nL/well from the source plate to a 384-well compound plate (PP, low binding). After the dispensing was complete, 30 L/well assay buffer was added to the compound plate and mixed for two minutes on a plate shaker. The cell plate, compound plate, and tips were loaded into the FLIPR instrument, and a transfer of 10 μl of 3× compound to the cell plate was initiated. The treated cell plate was kept at in the dark at 25° C. for 30 minutes. Chloride-free stimulation buffer containing 4× 2 mM Tl+ and 4×EC80 of agonist Loxapine was loaded into a 384-well compound plate (PP, low binding). After the 30-minute incubation, the cell plate, compound plate containing stimulation buffer, and FLIPR tips were loaded into the FLIPR instrument. After a baseline read, the FLIPR initiates a transfer of 10 μL of stimulation buffer containing Loxapine to the cell plate. The plate was read for 160 sec with 1 second interval reads to obtain the data.
13317	1	Primary Assay Used to Determine Potency of PTPN2 Enzymatic Activity Inhibition	Compound activity was determined using GST-tagged PTPN2 protein (Cat #31592, ActiveMotif) (SEQ ID NO: 1) in an in vitro enzymatic reaction. The enzymatic reaction was carried out in assay buffer (50 mM HEPES Na salt pH 7.2-7.4, 2 mM EDTA, 100 mM NaCl, 52 ng/μL BSA, and 6 mM DTT). The compounds were dispensed on a 384 well Diamond Well Plate (Axigen, Cat #P-384-120SQ-C-S) using the Biomek FX liquid handling system at 100× solutions of compounds in DMSO. 2×PTPN2 (final concentration 0.004 ng/μL) was prepared in 1× Assay buffer and 25 μL of mixture per well was added into Reaction plate (Optiplate, black, Perkin Elmer, Cat #6007270). Add 25 μL of 1× buffer to Ctrl- (Substrate w/o PTPN2) wells followed by centrifugation at 100 g for 1 min. Next step the Compounds were added to Reaction plate using Biomek station via following steps: 3 μl of 100× compounds (in DMSO) were mixed with 27 μL of Assay Buffer, then 5 μL of this mixture was added to Reaction plate with 25 μL of PTPN2 Mix. Plates were centrifuged for 1 min at 100 g and incubated for another 10 min at rt. Finally, 20 μL of 2.5× Substrate (DiFUMP, Invitrogen™ Cat #D6567) mix was added into appropriate wells of Reaction plate to the final concentration of 2 μM, plate was centrifuged at 100 g for 1 min followed by incubation at rt for 60 min, and the Fluorescence Intensity was measured using a Microplate Reader (ClarioStar Plus, excitation 360 nm, emission 450 nm).
13318	1	Alphascreen Binding Assay	Assay Protocol:Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Access Labcyte Workstation with a Labcyte Echo 550 or 555 acoustic dispenser. For compound a start concentration of 100 μM, 150 nL of compound solution is transferred per well in 11 concentrations in duplicate with serial 1:5 dilutions.The assay is run using a fully automated robotic system in a darkened room below 100 Lux. 10 μL of KRAS  SOS1 GDP mix is added into columns 1-24 to the 150 nL of compound solution (final dilution in the assay 1:100, final DMSO concentration 1%).After a 30 minute incubation time, 5 μL of bead mix is added into columns 1-23. Plates are kept at rt in a darkened incubator. After a further 60 minutes incubation, the signal is measured using a PerkinElmer Envision HTS Multilabel Reader using the AlphaScreen specifications from PerkinElmer. Each plate contains the following controls:diluted DMSO+KRAS  SOS1 GDP mix+bead mixdiluted DMSO+KRAS  SOS1 GDP mixResult calculation: IC50 values are calculated and analyzed using a 4 parametric logistic model.
13318	2	Cytochrome P450 Isoenzyme Inhibition Assays	The inhibition of the conversion of a specific substrate to its metabolite is assayed at 37° C. with human liver microsomes and used to determine the inhibition of cytochrome P450 isoenzymes. For the following cytochrome P450 isoenzymes, these substrates and metabolic reactions are monitored: P450 3A4: hydroxylation of Midazolam (MDZ).The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoenzyme measured (P450 3A4: 0.1 mg/ml) and a certain concentration of the individual substrate for each isoenzyme (P450 3A4: Midazolam 5 μM).The effect of the test compound is determined at five different concentrations in duplicate (e.g. highest concentration 50 μM with subsequent serial 1:4 dilutions) or without test compound (high control). Following a short preincubation period, reactions are started with the cofactor (NADPH, 1 mM) and stopped by cooling the incubation down to 8° C. and subsequently by addition of one volume of ACN. An internal standard solution—usually the stable isotope of the formed metabolite—is added after quenching of incubations. Peak area analyte (=metabolite formed) and internal standard is determined by LC-MS/MS.
13319	1	CD33 Competitive Binding Assay	This is a competitive binding assay that uses recombinant CD33 immobilized to a plate and a fluorescently-labeled multivalent sialic acid analog as a probe. Binding of drug to the site on CD33 to which sialic acid binds is detected by reduced binding of the fluorescent probe.Recombinant human CD33 protein (for example Acro Biosystems cat #CD3-H5257) was added at a concentration of 10 μg/ml in 20 mM acetate buffer (pH5.5) to a black plastic plate (Corning 4510) and allowed to incubate overnight at 4° C. The next day, the wells were washed 3 times with PBS containing 0.02% Tween-20. This was followed by a 30-minute incubation with PBS containing 0.2% Tween-20 and 0.5% BSA to block non-specific binding to the well. This buffer is removed and replaced with 10 μl of the same buffer, which is also used as the assay buffer.The fluorescent multivalent sialic acid probe was prepared as a 4× concentration as follows. A biotinylated sialic acid analog A-375 was mixed with biotin-4-Fluorescein isothiocyanate (biotin-4-FITC) at a 3:1 molar ratio with final concentrations (4× stock) of 60 μM A-375 and 20 μM biotin-4-FITC. After these were mixed, 20 μM of neutravidin was added, which should form complexes consisting of neutravidin, fluorescein and sialic acid with an average complex consisting of 1 neutravidin, 1 FITC and 3 sialic acid analogs. The multimerization of the sialic acid analog is critical to the assay and improves the affinity of the sialic acid analog several orders of magnitude.A test compound, for example A-001, is added at 5 μl to the 10 μl assay buffer already in the well. After a brief incubation, 5 μl of the 4× stock solution of sialic acid complexes was added. The final concentration of the complexes was therefore 5 μM neutravidin, 15 μM A-375 and 5 μM FITC. The plate was incubated at room temperature for 30 mins and then washed with PBS containing 0.2% Tween-20. Binding of the sialic acid complex is very stable, with an off-rate of several days. Bound complex was then detected using a standard plate reader to quantify FITC fluorescence.
13320	1	LRRK2 Km ATP LanthaScreen Assay	The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, CA) using GST-tagged truncated human mutant G2019S LRRK2 in the presence of the fluorescein-labeled peptide substrate LRRKtide, also from Life Technologies. The data presented for the Km ATP reasonable deviations depending on the specific conditions and reagents used. Assays were performed in the presence of 134 μM ATP (Km ATP). Upon completion, the assay was stopped and phosphorylated substrate detected with a terbium (Tb)-labeled anti-pERM antibody (cat. no. PV4898). The compound dose response was prepared by diluting a 10 mM stock of compound to a maximum concentration of 9.99 μM in 100% dimethylsulfoxide followed by custom fold serial dilution in dimethylsulfoxide nine times. Twenty nanoliters of each dilution was spotted via a Labcyte Echo onto a 384-well black-sided plate (Corning 3575) followed by 15 μl of a 1.25 nM enzyme solution in 1× assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM dithiothreitol, 0.05 mM sodium orthovanadate). Following a 15-minute incubation at room temperature, the kinase reaction was started with the addition of 5 μl of 400 nM fluorescein-labeled LRRKtide peptide substrate and 134 μM ATP solution in 1× assay buffer. The reaction was allowed to progress at ambient temperature for 90 minutes. The reaction was then stopped by the addition of 20 μl of TR-FRET Dilution Buffer (Life Technologies, Carlsbad, CA) containing 2 nM Tb-labeled anti-phospho LRRKtide antibody and 10 mM EDTA (Life Technologies, Carlsbad, CA). After an incubation of 1 h at room temperature, the plate was read on an EnVision multimode plate reader (Perkin Elmer, Waltham, MA) with an excitation wavelength of 337 nm (Laser) and a reading emission at both 520 and 495 nm.
13321	1	TR-FRET Assay	The assay was performed in a white, 384 well, low volume, flat bottom plate (Grenier). After a 30 minute preincubation in assay buffer with the indicated concentration of compound, the kinase activity was initiated by the addition of the substrates. 1 nM GSK3α (GST-full length GSK3α [SignalChem G08-10G]) or 1 nM GSK3b (GST-full length GSK3b: [SignalChem G08-9G]) were then incubated at ambient temperature for 100 minutes in 10 μL of 50 mM Tris, pH 7.5, 20 mM MgCl2, 0.05 mM DTT, 100 μg/mL BSA and 1% DMSO, with 200 nM biotinylated peptide substrate (biotinylated and S645 phosphorylated glycogen synthase 631-650) and either 4 μM ATP (GSK3α, Table 16) or 2 μM ATP (GSK3b, Table 16) or 1 mM ATP (Table 17). The kinase activity was quenched with 2 μL of 250 mM EDTA. A 10 μL volume of 40 nM Strepavidin-d2, 2 nM Tb2+-pSer641 antibody in TR-FRET Detection Buffer (Invitrogen) was then added. After 60 min at room temperature the plate was read on Envision plate reader using Ex: 340 nm, Em: 615 nM and 665 nM. The normalized 665/615 Signal ratio versus log compound concentration was analyzed by XLFIT to yield IC50 values.
13322	1	E-VIPR Assay for Detecting and Measuring NaV Inhibition Properties	1) To reach the final concentration in each well, 400 nL of each compound was pre-spotted (in neat DMSO) into polypropylene compound plates at 250× desired final concentration from an intermediate stock concentration of 0.075 mM, in an 11 point dose response, 3-fold dilution, resulting in a top dose of 300 nM final concentration in the cell plate. Vehicle control (neat DMSO), and positive control (an established NaV1.8 inhibitor, 25 μM final in assay in DMSO) were added manually to the outermost columns of each plate respectively. The compound plate was backfilled with 45 μL per well of Compound Loading Buffer resulting in a 250 fold dilution of compound following a 1:1 transfer of compound into the cell plate (see Step 6). Final DMSO concentration for all wells in the assay was 0.625% (0.75% DMSO was supplemented to the Compound Loading Buffer for a final DMSO concentration of 0.625%). This assay dilution protocol was adjusted to enable a higher dose range to be tested in the presence of HS or if the final assay volume was altered.2) Hexyl Dye Solution was prepared.3) Cell plates were prepared. On the day of the assay, the media was aspirated, and the cells were washed three times with 80 μL of Bath-1 buffer, maintaining 25 μL residual volume in each well.4) 25 μL per well of Hexyl Dye Solution was dispensed into the cell plates. The cells were incubated for 20 minutes at room temperature or ambient conditions in darkness.5) 45 μL per well of Compound Loading Buffer was dispensed into compound plates.6) The cell plates were washed three times with 80 μL per well of Bath-1 Buffer, leaving 25 L of residual volume. Then 25 μL per well from compound plate was transferred to each cell plate. The mixture was incubated for 30 minutes at room temperature/ambient conditions.7) The cell plate containing compound was read on E-VIPR using the current-controlled amplifier to deliver stimulation wave pulses using a symmetrical biphasic waveform. The user-programmed electrical stimulus protocols were 1.25-4 Amps and 4-6 millisecond pulse width (dependent on electrode composition) were delivered at 10 Hz for 10 seconds. A pre-stimulus recording was performed for each well for 0.5 seconds to obtain the un-stimulated intensities baseline. The stimulatory waveform was followed by 0.5 seconds of post-stimulation recording to examine the relaxation to the resting state. All E-VIPR responses were measured at 200 Hz acquisition rate.
13323	1	Identification of HDAC Enzyme Activity Inhibition (In Vitro)	Experimental Method: HDAC enzyme inhibitory capacity of a test material was measured by using HDAC1 Fluorimetric Drug Discovery Assay Kit (Enzolifesciences: BML-AK511) and HDAC6 human recombinant (Calbiochem: 382180). For a HDAC1 assay, samples were treated at a concentration of 100, 1000 and 10000 nM. For a HDAC6 assay, samples were treated at a concentration of 0.1, 1, 10, 100 and 1000 nM. After the above sample treatment, a reaction was continued at 37° C. for 60 minutes, then treated with a developer, and then subjected to reaction at 37° C. for 30 minutes, after which fluorescence intensity (Ex 390, Em 460) was measured by using FlexStatin3 (Molecular device).
13324	1	Kinase Activity Assay	BRAF kinase assays were performed using the Z′-LYTE™ enzymatic assay (Invitrogen, USA). Briefly, kinase activity was monitored in a cascade system consisting of a mixture of inhibitor with BRAF or BRAFV600E/inactive MAP2K1 (MEK1)/inactive MAPK1 (ERK2)/Ser/Thr 03 peptide (Invitrogen) in 50 mM HEPES pH 7.5, 100 μM ATP, 10 mM MgCl2, 1 mM EGTA, 0.01% Brij-35. Titrations were performed using a 1:3 dilution. Assays were performed using Select Screen (Invitrogen).
13325	1	ACSS2 Cell-Free Activity Assay	10 nM of human ACSS2 protein (OriGene Technologies, Inc) was incubated for 90 minutes at 37 C with various compounds&#39; concentrations in a reaction containing 50 mM Hepes pH 7.5, 10 mM DTT, 90 mM KCl, 0.006% Tween-20, 0.1 mg/ml BSA, 2 mM MgCl2, 10 μM CoA, 5 mM NaAc, 300 μM ATP and 0.5 U/ml Pyrophosphatase (Sigma). At the end of the reaction, Biomol Green was added for 30 minutes at RT and the activity was measured by reading the absorbance at 620 nm. IC50 values were calculated using non-linear regression curve fit with 0% and 100% constrains (CDD Vault, Collaborative Drug Discovery, Inc.).
13326	1	PDE4B Inhibitory Activity Assay	In order to evaluate the PDE4B inhibitory activity of the compounds according to the present invention, the following experiment was performed using LANCE Ultra cAMP assay kit (Perkin Elmer, U.S.A).Particularly, 5 μl of the 3 nM cAMP dissolved reaction buffer was added to each reaction well (LANCE Ultra cAMP assay kit). Then, each example compound dilution solution (2.5 μl) and PDE4B enzyme (0.1 ng/well, BPS Biosciences, San Diego, U.S.A) were added to the well, followed by incubation for 1 hour at 37° C. Next, 5 μl of ULight-anti-cAMP detection reactant supplemented with 5 μl of Eu-cAMP tracer and 1 mM IBMX (LANCE Ultra cAMP assay kit) was added thereto, followed by incubation for 1 hour at 37° C. Upon completion of the incubation, the signals excitated at 340 nm and emitted at 665 nm from the 384 micro well-plate were recorded using EnVision Multilabel Reader (Perkin Elmer, U.S.A.).
13327	1	E-VIPR Assay for Detecting and Measuring NaV Inhibition	Assay Protocol (7 Key Steps):1) To reach the final concentration in each well, 400 nL of each compound was pre-spotted (in neat DMSO) into polypropylene compound plates at 250× desired final concentration from an intermediate stock concentration of 0.075 mM, in an 11 point dose response, 3-fold dilution, resulting in a top dose of 300 nM final concentration in the cell plate. Vehicle control (neat DMSO), and positive control (an established NaV1.8 inhibitor, 25 μM final in assay in DMSO) were added manually to the outermost columns of each plate respectively. The compound plate was backfilled with 45 μL per well of Compound Loading Buffer resulting in a 250 fold dilution of compound following a 1:1 transfer of compound into the cell plate (see Step 6). Final DMSO concentration for all wells in the assay was 0.625% (0.75% DMSO was supplemented to the Compound Loading Buffer for a final DMSO concentration of 0.625%). This assay dilution protocol was adjusted to enable a higher dose range to be tested in the presence of HS or if the final assay volume was altered.2) Hexyl Dye Solution was prepared.3) Cell plates were prepared. On the day of the assay, the media was aspirated, and the cells were washed three times with 80 μL of Bath-1 buffer, maintaining 25 μL residual volume in each well.4) 25 μL per well of Hexyl Dye Solution was dispensed into the cell plates. The cells were incubated for 20 minutes at room temperature or ambient conditions in darkness.5) 45 μL per well of Compound Loading Buffer was dispensed into compound plates.6) The cell plates were washed three times with 80 μL per well of Bath-1 Buffer, leaving 25 L of residual volume. Then 25 μL per well from compound plate was transferred to each cell plate. The mixture was incubated for 30 minutes at room temperature/ambient conditions. 7) The cell plate containing compound was read on E-VIPR using the current-controlled amplifier to deliver stimulation wave pulses using a symmetrical biphasic waveform.
13328	1	Kinase Assay	Test compounds were prepared as 111× stocks in 100% DMSO. Kds were determined using an 11-point 3-fold compound dilution series with three DMSO control points. All compounds for Kd measurements are distributed by acoustic transfer (non-contact dispensing) in 100% DMSO. The compounds were then diluted directly into the assays such that the final concentration of DMSO was 0.9%. All reactions performed in polypropylene 384-well plate. Each was a final volume of 0.02 ml. The assay plates were incubated at room temperature with shaking for 1 hour and the affinity beads were washed with wash buffer (1×PBS, 0.05% Tween 20). The beads were then re-suspended in elution buffer (1×PBS, 0.05% Tween 20, 0.5 μM non-biotinylated affinity ligand) and incubated at room temperature with shaking for 30 minutes. The kinase concentration in the eluates was measured by qPCR.Binding Constants (Kds)Binding constants were calculated with a standard dose-response curve using the Hill equation:Response=Background+Signal-Background/1+(KdHill⁢Slope/DoseHill⁢Slope)The Hill Slope was set to −1. Curves were fitted using a non-linear least square fit with the Levenberg-Marquardt algorithm.
13329	1	Surface Plasmon Resonance (SPR)	The surface plasmon resonance (SPR) experiments were conducted on a Biacore3000 (GE Healthcare). Myc-tagged cereblon was immobilized on a carboxymethylated dextran surface (CM5) amine coupled to anti-Myc antibody to recognize the Myc tag. His-tagged cereblon protein was immobilized on a carboxymethylated dextran surface with nitriloacetic acid (NTA), taking advantage of NTA/Ni2+ chelation. The prepared surface was allowed to equilibrate over three hours in running buffer (10 mM HEPES buffer @ pH 7.4, 150 mM NaCl, 0.005% P20, 2% DMSO).All compounds were prepared in 100% DMSO stock plates with a top concentration of 5 mM in a 3× serial dilution. Compounds were transferred from the stock plate to the assay plate and diluted into running buffer containing no DMSO. All compounds were run as a six-concentration series with a final assay top concentration of 100 μM.Data analysis was performed in Scrubber 2 (BioLogic software, Campbell, Australia).
13330	1	Dopamine D2 Receptor Binding Assay	In this test, the dopamine D2 receptor binding activity of each test compound was measured using GeneBLAzer D2-Gqo5-NEAT-bla CHO-K1 Cell-based Assay (Thermo Fisher Scientific, Inc.). The CHO cells are designed such that a signal transduction pathway is activated by addition of a drug to express a reporter gene (P lactamase). By the action of the expressed R lactamase, a Forster resonance energy transfer (FRET) substrate shifts from green fluorescence (520 nm) to blue fluorescence (447 nm). Therefore, the binding activity of the test compound can be measured by measuring a blue fluorescence/green fluorescence ratio. The CHO cells were inoculated at 10,000 cells/well to a 384-well plate and cultured for 16 to 20 hours in a CO2 incubator. Serially diluted solutions of each of the test compound and an agonist (apomorphine) were added to the cells, which were then cultured for 5 hours in a CO2 incubator. A substrate mix was added to the cells and incubated at room temperature for 2 hours. Then, green fluorescence and blue fluorescence were measured using Multimode Plate Reader EnVision 2105 (Perkin Elmer, Inc.), and a blue fluorescence/green fluorescence ratio was calculated. The respective EC50 values of the test compounds were determined from the measured fluorescence ratios using GraphPad Prism 8.
13331	1	LAT1 Uptake Inhibition Assay	The ability of compounds to interact with LAT1 was measured using a radiolabeled competition uptake assay with [3H]-Gabapentin ([3H]-GP) (Perkin Elmer) in 96-well plates with LN229 cells (ATCC®). Ten (10)×103 (10,000) cells/well were plated in white, clear bottom plates and were allowed to grow for three (3) days. On the fourth day, the cells were washed and then incubated with 50,000 counts per minute (cpm) of [3H]-GP in phosphate buffered saline (PBS) (VWR International) with increasing concentrations of test compounds in at least triplicate for 15 min. At end of the assay time, the incubation solution was removed, and plates were washed three times (3×) with 100 μL of ice-cold PBS buffer. One-hundred fifty (150) L of scintillation fluid (VWR International) was added to each well, and the radioactivity retained within the cells was measured on a 96-well scintillation counter. Background uptake ([3H]-GP uptake in the presence of 10 mM non-radiolabeled gabapentin (GP)) (MedKoo) was subtracted and data were normalized to the DMSO control ([3H]-GP uptake in the absence of any competitor). Data were fitted to the Michaelis-Menten equation using GraphPad Prism (Version 8.2.0).
13332	1	GABAA Receptor Binding Assay	Rat brain membranes were prepared from frozen tissue that was thawed on ice and homogenized on ice in 10 volumes of cold lysis buffer (50 mM Tris HCl, pH 7.4, containing protease inhibitor cocktail; Roche) using a Polytron homogenizer (6 pulses and 10 seconds per pulse). The homogenate was centrifuged at 1,000×g for 10 min at 4° C. to obtain the supernatant. The supernatant was then centrifuged at 40,000×g for 20 min, and the resulting supernatant decanted and replaced with the same ice-cold lysis buffer. Two or three additional rounds of homogenization-centrifugation were performed to ensure thorough homogenization and wash out endogenous ligands. The final pellet was resuspended in the same buffer and homogenized one last time. The rat brain suspension was diluted in buffer (50 mM Tris HCl, 2.5 mM CaCl2, pH 7.4), followed by the addition of [3H]-flunitrazepam (0.6-4.0 nM in DMSO) and PI320 or PI310 in DMSO at different concentrations to reach a final of volume of 125 μl per well. Total binding and nonspecific binding were determined with reference compound clonazepam. In brief, plates are usually incubated at room temperature and in the dark for 90 min. Reactions are stopped by vacuum filtration onto 0.3% polyethyleneimine (PEI) soaked 96-well filter mats using a 96-well Filtermate harvester, followed by three washes with cold PBS buffer. Scintillation cocktail was then melted onto the microwave-dried filters on a hot plate and radioactivity counted in a Microbeta counter.
13333	1	CRBN-Binding Affinity	The CEREBLON BINDING kits (specification: 10,000 tests; product number: Catalog #64BDCRBNPEH; CISBIO company) was used to determine the CRBN binding ability of the compounds to be tested through a HTRF method (homogeneous time-resolved fluorescence). The specific methods are as follows:1. According to the instructions of the CEREBLON BINDING kits, the compounds to be tested of the present disclosure and lenalidomide were serially diluted using diluent #9 (1X) solution to obtain a final concentration of 2 μM for both the tested compounds and lenalidomide solution.2. 2.5 μL of the above 2 μM of the tested compounds and lenalidomide solution, as well as the same volume of diluent #9 (1X) solution (solvent control group, Std0) were added to each well of a 96-well plate, respectively. Then, 2.5 μL of human Cereblon WT GST-tagged protein solution was added to each well. Finally, 5 μL of the thoroughly mixed Thalidomide-Red reagent and GST Eu antibody working solution were added to each of the aforementioned wells. The final concentration of the tested compounds and lenalidomide in each well is 0.5 μM.3. The blank control wells were sequentially added with 2.5 μL of diluent #9 (1X) solution, 2.5 μL of PROTAC binding buffer, and 5 μL of thoroughly mixed Thalidomide-Red reagent and GST Eu antibody working solution.4. After sealing and incubating the solutions in the aforementioned wells at room temperature for 3 hours, the absorbance values at emission wavelengths of 620 nm and 665 nm were detected by the HTRF method using a Spark microplate reader (V3.1 SP1).
13334	1	HPK1 Kinase Assay	A recombinant fusion protein consisting of full-length human HPK1 (MAP4K1) with an N-terminal Glutatione S-transferase (GST) tag was produced in insect cells Sf21 using the baculovirus expression system. GST-HPK1 protein was purified from cell lysates by glutathione Sepharose affinity chromatography. The assay is run in three continuous steps: 1) the HPK1 enzymatic kinase reaction, 2) an ATP depletion, and 3) the ADP detection, the steps 2 and 3 are performed with ADP-Glo™ Kinase Assay kit from Promega (V9101). Test compounds were prepared by 10-point serial dilution in dimethyl sulfoxide (DMSO) and 100 nL of each dilution was spotted onto a 384-well Optiplate (Perkin Elmer and Cat #6007299) by Labcyte Echo. 5 μL kinase reaction buffer (0.02% Brij-35, 2 mM DTT, 50 mM HEPES pH 7.5, MgCl2 10 mM, BSA 0.01% and β-glycerophosphate 12.5 mM) containing HPK1 (3.2 nM) enzyme was transferred to each well and incubated for 15 minutes at room temperature at 60% humidity. The enzymatic reaction was started by adding 5 μl of Start-Mix (10 μM ATP and 3.235 μM MBP). After 120 minutes, the reaction was stopped by adding 5 μL of ADP-Glo reagent (Promega, V9101) and incubating for 40 min. in the dark at 23° C. To determine the level of ADP, 10 μl ADP-Glo Detection solution was added and incubated for 1 hour at 23° C. in the dark. The plate was transferred to a Perkin Elmer EnVision (2104 Multilabel Reader) for luminescence detection and percent inhibition activity and IC50 value were determined using Genedata Screener.
13335	1	Arginase Inhibitory Activity Test	Specifically, all reagents required for evaluation were diluted in a reaction buffer (8 mM NAHPO4, 2 mM KH2PO4, pH 7.5, 137 mM NaCl, 2.7 mM KCl, and 0.05% Tween-20), and the compound was dissolved in DMSO and then diluted, and then diluted in the reaction buffer to conform to the desired concentration. 10 μL of the compound and 10 μL of 30 nM Arginase-1 were mixed in a transparent 96-well plate (SPL), and incubated at room temperature for 1 hour or more. After that, 10 μL of 15 mM L-arginine and 3 mM MnCl2 were added to the plate, and then reacted at room temperature for 30 minutes or more. Finally, 30 μL of a 1:1 mixture of reagent A (10 mM o-phthaldialdehyde, 0.4% polyoxyethylene lauryl ether, and 1.8M sulfuric acid in DW) and reagent B (1.3 mM primaquine diphosphate, 0.4% polyoxyethylene lauryl ether, and 3.6 M sulfuric acid in DW) was added to complete the enzyme reaction, and incubated at room temperature for 1 hour or more. The plate after incubation was measured for absorbance at 450 nM using a Flexstation3 multi-mode microplate reader (Molecular Devices).
13336	1	Biological/Biochemical Evaluation	In this Example, LONP1 (NM_004793.4) activity was measured by a FRET-based assay for protease activity using a fluorogenic peptide DabcylYRGIT(2Abu)SORQK(5-FAM) (Cambridge Research Biochemicals) as substrate. LONP1 activity is followed by an increase in fluorescence signal due to the degradation of the peptide. Inhibition of LONP1 protease activity by an inhibitor compound of the disclosure elicits a decrease in the fluorescent signal. The assay is performed in a 384-well plate (Greiner, cat. #781076) using the following reagents and conditions: substrate (3 μM) was incubated for 1 hour at 37° C. in the presence of LONP1 (15 nM as monomer), 25 mM Tris pH 8.0, 10 mM MgCl2, 0.03 mg/mL ESA, 0.5 mM DTT, 0.0003% Tween-20, 10 mM NaCl, 0.06 mM ATP and 0.5 mM EGTA in a 15 μL final volume. The LONP1-containing mix (10 μL) was incubated with the test compound for 15 min at 37° C. before adding the peptide-containing mix (5 μL). Solutions were dispensed using a small cassette-Multidrop Combi (Thermo Scientific). Fluorescence was measured using a PheraStar plate reader (BMG Labtech) FI-FRET EX 485 nm Em 520 nm.
13337	1	Test of Inhibitory Activity of the Compound of the Present Invention on PI3K Kinase	The experimental procedure is briefly described as follows: the test compound was first dissolved in DMSO to prepare a stock solution, and then the buffer was prepared according to the buffer formulation provided in the reagent manual (HEPES 50 mM, MgCl2 3 mM, EGTA 1 mM, CHAPS 0.03%, NaCl 100 mM, pH7.5). The buffer was used for gradient dilution. The final concentration of the test compound in the reaction system ranged from 1000 nM to 0.05 nM. The ATP Km values of PI3Kα, PI3Kβ, PI3Kγ, and PI3Kδ were determined by using a gradient diluted ATP solution (from ADP-Glo™ Kinase Assay Kit), and the ATP concentration in the reaction system was set to 10 μM based on the ATP Km value obtained in the experiment. The reaction was carried out in a 384-well microplate. First, the compound and a certain amount of PI3Kα, PI3Kβ, PI3Kγ or PI3Kδ protein were added to the wells, and incubated at room temperature for 15 minutes. Then ATP solution and PIP2:3PS (the final concentration was 0.01 mg/mL) were added to the reaction solution, and incubated at room temperature with shaking for 60 minutes. Then 5 μL of ADP-Glo Reagent (containing 10 mM MgCl2) was added to the reaction system, and continued to incubate with shaking for 40 minutes at room temperature. Then 104, Kinase Detection Reagent was added to the reaction system, and continued to incubate with shaking for 40 minutes at room temperature. After incubation, the chemiluminescence intensity value of each well was measured in Luminescence mode on the microplate reader. By comparing with the luminous intensity ratio of control group (0.1% DMSO), the percentage inhibition rate of the compound at each concentration was calculated. The GraphPad Prism 5 software was used to perform nonlinear regression analysis on the compound concentration logarithmic value vs. the inhibition rate to obtain IC50 values of the compounds, and the result was shown on Table 1.
13338	1	ErbB Enzyme Assay	Compound potencies were determined using CisBio&#39;s HTRF Kinease-TK assay technology. The kinases were incubated with 250 nM TK-substrate biotin (CisBio, part of cat #62TKOPEC) at 1 mM ATP along with test compounds in a buffer consisting of 25 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% Triton X-100, and 2% DMSO in a volume of 8 μL. Compounds were prepared as a three-fold serial dilution in DMSO and added to the assay to give the appropriate final concentration. After 30-minute incubation at 22° C., the reaction was quenched by adding 8 μL of quench solution containing 62.5 nM Sa-XL665 and 0.25×TK-Ab-Cryptate in HTRF detection buffer (all from CisBio, part of cat #62TKOPEC). After a 1-hour incubation at 22° C., the extent of reaction was determined using a PerkinElmer EnVision multimode plate reader via HTRF dual wavelength detection, and the percent of control (POC) was calculated using a ratiometric emission factor. One hundred POC was determined using DMSO only samples (no compound present), and 0 POC was determined using pre-quenched control reactions. A 4-parameter logistic curve was fit to the POC values as a function of the concentration of compound, and the IC50 value was the point where the best-fit curve crossed 50 POC.
13339	1	The HTRF Assay	The HTRF assay confirmed that compound 4b has an IC50 of 339.9 nM (see Experimental Section for details) to inhibit PD-1/PD-L1 interaction (FIG. 5D). This is comparatively better than the IC50 of 521.5 nM for the BMS compound 4a that was synthesized and tested in our lab (BMS-1 molecule in the BMS patent WO 2015/034820 A1). It should be noted that the BMS-1 molecule was denoted with the IC50 of 6-100 nM with HTRF assay in the BMS patent&#39; . However, multiple replicates of our experiments did not result in the IC50 value less than 100 nM to inhibit PD-1/PD-L1 interaction (see Calculation of IC50 values section and Supporting File HTRF_IC50_Data.xlsx). As mentioned previously, this result does not affect our machine learning method since we have classified molecules based on high and low potency rather than estimating the specific IC50 value. A possible explanation of this difference in experimental results between our work and the patent could be differences in protocols used to perform the HTRF assay and calculation of IC50 values. For this reason, we have included a detailed account of HTRF assay protocol, analysis of data for calculation of IC50 and supporting data files to be used by the scientific community (see Experimental Section). In order to test the validity of our bootstrapped EGNN model to correctly identify low potency predictions, we also tested compounds 4c, 4d and 4e resulting in no/poor inhibition to PD-1/PD-L1 interaction (Table 2). The IC50 plots for each compound tested (Figure S6) as well as the 13C and 1H NMR spectra are provided as Supporting Information.
13340	1	Inhibitory Activity Test of the Compounds on ALK2	ALK2 Kinase Enzyme System kit from Promega was used for the test. Reagents for kinase test was prepared first, the reagents comprising: {circle around (1)}4×Kinase buffer 250 μL (containing 200 μM DTT); {circle around (2)}5×Inhibitor mother liquor, i.e., the test compound was prepared into 10 mM mother liquor with DMSO, and the test compound was diluted into 5 mM (20 μL of 10 mM test compound mother liquor+20 μL of DMSO dissolved) with DMSO; {circle around (3)}1×Kinase buffer (containing 1% DMSO) 200 μL; {circle around (4)}1×Kinase buffer 40 μL; @Kinase solution 115 μL; {circle around (6)}Substrate Mix (containing 65 μM ATP) 120 μL. The inhibitor working solution was then prepared, i.e., the test compound was prepared into 5 mM mother liquor with DMSO, 1 μL of 5 mM mother liquor was taken and was diluted into the concentration of 50000 nM by adding 99 μL 1×Kinase buffer; 20 μL of the solution of this concentration was taken, and 80 μL of 1×Kinase buffer (containing 1% DMSO) was added thereto to obtain the concentration of 10000 nM, 5 times dilution was carried out in this way, and a total of 6 concentration gradients were provided. 1 μL of the compound at each concentration was taken and added to a 384-well plate, and then 2 μL Kinase solution (160 mM Tris, 7.5; 80 mM MgCl2; 0.4 mg/ml BSA; 200 μM DTT; ALK2 kinase) was added to each well, and the plate was centrifuged at 1000 rpm for 20 seconds at room temperature, incubated for 30 minutes at 25° C.; then 2 μL of a mixture containing ATP and kinase substrate was added to each well, the plate was centrifuged at 1000 rpm for 20 seconds at room temperature, and incubated at 25° C. for 120 minutes. Then 5 μL of ADP-Glo™ reagent was added to each well, and the plate was incubated at 25° C. for 40 minutes; then 10 μL of Kinase Detection Reagent was added to each well, the plate was incubated at 25° C. for 30 minutes and then was tested; a microplate reader was used to record the chemiluminescence value, the curve was fitted with Origin 7.5, the IC50 (nM) value of the test substance on the ALK2 kinase activity was calculated.
13341	1	TBD	TBD
13342	1	Inhibitory Activity Assay	The inhibitory activity of the test compounds against human ATR kinase was evaluated by measuring IC50 value.ATR/ATRIP (h) was incubated in detection buffer containing 50 nM GST-cMyc-p53 and Mg/ATP (10 μM). The reaction was initiated by adding Mg/ATP mixture. After incubation at room temperature for 30 minutes, the reaction was terminated by adding a termination solution containing EDTA. Finally, a detection buffer containing d2-labeled anti-GST monoclonal antibody and europium-labeled anti-phospho-Ser15 antibody against phosphorylated p53 were added. Plates were then read in time-resolved fluorescence mode for homogeneous time resolution.The fluorescence (HTRF) signal was determined according to the formula HTRF=10000×(Em665 nm/Em620 nm).
13343	1	Binding assays for FABP3, FABP4, FABP5 and FABP7	Binding assays for FABP3, FABP4, FABP5 and FABP7 were carried out by fluorescence titrations. His-tagged FABPs were bacterially expressed in E. coli, purified using Ni Sepharose beads, and the equilibrium dissociation constants (Kd) that characterize their interactions with different inhibitor compounds were measured by fluorescence competition assays. The method entails two steps as described in e.g., Lin, Q. et al., “Ligand selectivity of the peroxisome proliferator-activated receptor alpha,” Biochemistry 38, 185-190, doi:10.1021/bi9816094 [pii](1999). In the first step, Kd for the association of the protein with the fluorescent fatty acid probe ANS was measured. Protein (2 μM) was titrated with ANS from a concentrated solution in DMSO. Ligand binding was monitored by following the increase in the fluorescence of the ligand upon binding to the protein, and Kd for the association of ANS with the each FABP was computed from titration curves as described in e.g., Norris, A. W. & Li, E., “Fluorometric titration of the CRABPs,” Methods Mol Biol 89, 123-139 (1998)). In the second step, Kds for binding of non-fluorescent ligands were measured by monitoring their ability to displace ANS in the binding pocket of the protein.
13344	1	Identification of NDM-1 Inhibitors and their Biochemical Activities	All NDM-1 β-lactamase hit molecules were identified from the qDOS38_2 library. As previously noted, NDM-1 is a class B metallo-β-lactamase with a different structure and active site chemistry compared to OXA-48. Nevertheless, it also contains a binding pocket for the β-lactam carboxylate group. Many of the compounds enriched by affinity selection against NDM-1 contained the designed carboxylic acid in the form of salicylic acid. Without wishing to be bound by any theory, salicylic acids are known to chelate metal ions, suggesting these compounds utilize active site zinc for binding affinity. A total of three highly-enriched compounds were re-synthesized in the absence of the DNA barcode and tested for inhibition using an NDM-1 assay with imipenem as the reporter substrate. The assay buffer also contained 10 M of zinc ions as required for NDM-1 activity. CDD-2350 and CDD-2373 were weak inhibitors with their Ki values greater than 100 μM. In contrast, CDD-2376 was more potent, with a Ki of 3.3 μM.
13345	1	Biological Assay	Polθ Theta ATPase activity was determined by measuring the rate of ATP turn over in a NADH oxidation-coupled enzymatic assay. 10-point dilution series of compounds were used in a 384 well format for the inhibition assays. Polθ theta (1-899) (10 nM) in assay buffer (20 mM Tris HCl (pH 7.80), 80 mM KCl, 10 mM MgCl2, 1 mM DTT, 0.01% BSA, 0.01% Tween, 5% glycerol) was transferred to the test wells (20 μL), except the low control wells (20 μL of assay buffer was added to the low control wells). The plate was then incubated at room temperature for 15 min. An equal volume (20 μL) of 100 μM ATP, 300 nM dT50 (single-stranded DNA (ssDNA) containing 50 thymine bases), 300 μM NADH, 6 mM PEP, 10 U/mL lactate dehydrogenase and U/mL pyruvate kinase in assay buffer was added to all the test wells. The plate was then centrifuged at 1000 rpm for 1 min. The reaction was monitored for 30 min by measuring absorbance (λ=340 nm) in a Tecan Spark multimode plate reader every minute. The high control (DMSO with enzyme) with low absorbance intensity represents no inhibition of ATPase reaction while the low control (DMSO with buffer) with high absorbance intensity represents full inhibition of ATPase activity. Slope of the reaction progress curves were used to calculate the rate of ATP hydrolysis.
13346	1	Surface Plasmon Resonance Assay	SPR was used to confirm and quantify binding of compounds to human STAT6. Biacore instruments from the 8K-series (Cytiva) were used, and measurements were performed at 25° C. Human STAT6 (truncated, aa122-658, with N-terminal His-tag, expressed in insect cells) was immobilized in the active flow cells on a CM5 chip using amine-coupling (default settings) at 10 μg/ml in 10 mM acetate buffer pH 5.5, at a contact time of 120-420 sec. and a flow rate of 10 μl/min. Reference flow cells were deactivated using blank immobilization. PBS-P+(Cytiva) supplemented with 2% DMSO was used as running buffer, and solvent correction was applied. Compounds were tested by multi-cycle kinetics injections using a contact time of 60 sec., dissociation time of up to 300 sec., and a flow rate of 30 μl/min. Solvent-corrected, reference-subtracted and blank-corrected data was processed and binding isotherms were fitted according to a single report point from each sensorgram (Standard: Late binding (5 sec. before injection end); alternative: Earlier report point according to binding profile). Data fitting was done both with unfixed Rmax and with Rmax fixed to the theoretical value* assuming 1:1 binding to allow processing of data from both weak and strong binders as well as to evaluate binding stoichiometry.
13347	1	Competition Binding Assay	To determine the affinity of CB2R-specific ligands, we used a simple competition kinetic binding assay. This approach involves the simultaneous addition of both fluorescent ligand and competitor to the CB2R preparation. 62.5 nM 8-SiR, concentration which avoid ligand depletion in this assay volume, were added simultaneously with increasing concentrations of the unlabeled compound to CB2R cell membranes (4 μg per well) in 40 μL of assay buffer in a 384-well plate incubated at room temperature with orbital mixing. The degree of fluorescent ligand bound to the receptor was assessed at equilibrium by HTRF detection. Nonspecific binding was determined as the amount of HTRF signal detected in the presence of SR144528 (1 μM) and was subtracted from total binding, to calculate specific binding for construction of IC50 curves.
13348	1	Surface Plasmon Resonance (SPR)	TBD
13349	1	Biological/Biochemical Evaluation	The ability of some compounds of the present invention to inhibit POLRMT were determined in a homogeneous TR-FRET Assay using high-throughput screening in a 384-well plate format. This method is used to monitor the activity of mitochondrial transcription through measurement of its product, a 407 bp long RNA transcript. Detection of the product is facilitated by hybridization of two DNA-oligonucleotide probes to specific and adjacent sequences within the RNA product sequence. Upon annealing of the probes, two fluorophores are coupled directly to an acceptor nucleotide probe (ATTO647, 5′), or introduced via a coupled streptavidin with a biotinylated donor nucleotide probe (Europium cryptate) that is brought into sufficient proximity to serve as a fluorescence-donor-acceptor pair. Thus, a FRET signal at 665 nm is generated upon excitation at 340 nm.Proteins used as transcription factors (POLRMT: NP_005026.3, TFAM: NP 003192.1, TFB2M: NP_071761.1) are diluted from their stocks to working concentrations of 1 μM, 20 μM and 4 μM respectively, in a dilution buffer containing 20 mM Tris-HCl (pH 8.0), 200 mM NaCl, 10% (v/v) glycerol, 1 mM Dithiothreitol (DTT), 0.5 mM EDTA.DNA template is a pUC18 plasmid with the mitochondrial light strand promotor sequence (1-477) cloned between HindIII and BamHI sites. The DNA template is restriction linearized proximal to the promotor 3′-end (pUC-LSP). 0644 The reaction mixture (10 μL) containing 7.5 nM POLRMT, 15 nM of TFB2M, 30 nM of TFAM, 0.5 nM of DNA template and 500 μM nucleotide triphosphate mix (NTPs) in a reaction buffer (containing 10 mM Tris-HCl (pH 7.5), 10 mM MgCl2, 40 mM NaCl, 10 mM DTT, 0.005% (w/v) Tween-20, 160 units/ml Rnase inhibitor and 0.1 mg/mL BSA) are dispensed to compounds in microplates, using a Thermo Multidrop® dispenser, and incubated at 37° C. in a VWR INCU-Line incubator for 60 minutes after mixing. No nucleotide triphosphate mix is added to negative control samples. Microplates with compounds to be tested in the assay are prepared from 10 mM compound stocks in 100% DMSO, equal amounts of DMSO without any compound are added to positive control and negative control samples.
13350	1	NAD+ Cydase Activity Assay with Human or Mouse Recombinant CD38 Protein	Required reaction buffer, required CD38 concentration in reaction buffer and required e-NAD concentration in reaction buffer were prepared. Thereafter, 8 μL of CD38 in reaction buffer were added to High Control and compound concentration wells in 384 well plate (Corning #4514, 384 well, nonbinding surface, low volume, round bottom) and 8 μL of reaction buffer to Low Control. Compound dilutions were transferred via pintool technology that transfers 42.5 nL compound dilutions (12-point dose-response with factor three dilutions in 100% DMSO) well-to-well. Plate was subsequently shaken for 15 s at 1450 rpm and sealed for incubation for 30 min at room temperature. Thereafter, 2 μL of e-NAD in reaction buffer were added with Integra Voyager. After shaking for 15 s at 1450 rpm, plate was sealed, and assay signal was measured continuously with PHERAstar® fluorescence intensity module (extinction 300 nm/emission 410 nm).
13351	1	DNA-PK Assay for Biochemical Enzymatic Inhibition	A biochemical assay was performed to identify IC50 values against DNA-PK activity in a two-step reaction with a kinase reaction followed by ADP Glo™ Kinase assay Kit (Promega V9102). Three-fold serial dilutions of compounds in DMSO were prepared in kinase assay buffer (50 mM HEPES pH 7.5, 20 mM MgCl2, 100 mM KCl, 50 μM DTT, 10 μg/ml calf thymus DNA, 0.01% Tween 20). Kinase assay buffer was used to prepare compound treatments to 0.02% DMSO (dimethyl sulphoxide) content. DMSO controls were prepared to produce a maximum and minimum luminescence signal for normalization. Substrate (Anaspec, AS-60210-5) and ATP (Promega V9102) and ATP mix was prepared by dilution in kinase assay buffer for 434.4 μM and 64.4 μM final assay concentrations, respectively. Compounds and control were added to 25 ng DNA-PK enzyme (Invitrogen, PR9107A) diluted in kinase buffer in assay plate (Corning 267459) and incubated for 15 minutes at room temperature prior to addition of substrate and ATP mix. Throughout the assay, each time a reagent was added to the microplate, it was centrifuged for 1 minute at 1300 rcf. All reagents were added, and incubations carried out at room temperature. The reaction was then incubated for 60 minutes. ADP-ATP standards at 0, 4, 10, 40, 80, and 100% ADP (prepared as specified in the ADP Glo™ Kinase assay kit) were also added to the microplate at a volume equal to the total kinase reaction. The ADP Glo™ Kinase Assay kit was then used to quantify DNA-PK activity: following the 60-minute incubation, a 1:1 volume of ADP Glo reagent was added to all wells, then following a further 45-minute incubation, a 1:1 volume of Kinase Detection Reagent was added to all wells. After this two-step assay, plates were incubated in a Synergy-Neo2 plate reader for 30 minutes with gentle shaking, followed by endpoint luminescent read Luminescence data was normalized by subtracting the background signal and expressing all background-adjusted values as a percentage of the average maximum signal. 
13352	1	Biochemical Kinase Assay	First, 250 nL of compound dissolved in DMSO (100-fold of the desired concentration) was dispensed into a 384-well plate. A 12.5 μL substrate solution containing ATP (2 mM) and fluorogenic phosphorylation substrate AQT0101 (26 M for ALK and ROS, AssayQuant) or AQT0104 (26 μM for TRKB, AssayQuant) in buffer (50 mM HEPES pH 7.5, 0.0100 Brij-35, 0.5 mM EGTA, 10 mM MgCl2) was added and mixed thoroughly. Then, a 12.5 μL kinase solution containing ALK (1.5 nM, Carna, 08-518), ALK I1171N/D1203N (4 nM, SignalChem, custom-made), ROS1 (0.6 nM, Carma, 08-163), ROS1-G2032R (0.5 nM, SignalChem, R14-121BG), or TRKB-wt (1.5 nM, SignalChem, N17-11G) kinase domains in buffer (50 nM HEPES pH 7.5, 0.01% Brij-35,200 glycerol, 0.4 mg/mL BSA, 0.5 mM EGTA, and 10 mM MgCl2) was added and mixed thoroughly. The plate was sealed and read by SpectraMax Paradigm at λ=485 nm every 2 minutes for 120 minutes at 30° C. Exemplary data is given in Table 3. Initial rates of reaction (v) were calculated from the change in fluorescence intensity over time during the initial, linear portion of the reaction.
13353	1	BIR Binding Assay	The BIR domain binding assays are FRET based competition assays that utilize His-tagged versions of each of the BIR2 and BIR3 domains from cIAP1, cIAP2, and XIAP (each domain assayed separately) each at a custom optimal concentration and a probe, 200 nM SMAC/DIABLO peptide AVPIAQKSE labelled with AlexaFluor647 (part #crb 1110326h, Discovery Peptides). The assay is conducted in 50 mM HEPES, 150 nM NaCl, 1 mM CHAPS, 5% Glycerol, 1 mM DTT, in dI water with a final pH of 7.4 and final volume of 20 uL. Final protein domain concentrations are: 50 nM cIAP1-BIR3 (Part #APT-11-370 Reaction Biology), 100 nM XIAP-BIR3 (Part #APT-11-351 Reaction Biology), 200 nM XIAP-BIR2 (Part #APT-11-470 Reaction Biology), 325 nM cIAP2-BIR2 (Part #APT-11-489 Reaction Biology), 50 nM cIAP2-BIR3 (Part #APT-11-372 Reaction Biology), 325 nM cIAP1-BIR2 (Part #APT-11-487 Reaction Biology). Compounds were plated using a HP Tecan D300 printer in a final total volume of 202 nl and DMSO concentration normalized across the 15-point, 3-fold dilution series. Peptide and probe were prepared at 2× relative to the concentrations above in binding buffer, 10 uL added to the prepared compound plates, and incubated for 60 minutes. LANCE Eu-W1024 (part #AD0401 Perkin Elmer #, vendor) was prepared at 2× concentration in binding buffer for final concentration of 2 nM, 10 uL added to each well, and plates incubated for 30 minutes. Plates were read on an ENVISION multifunction plate reader with 320 nM laser excitation to obtain the 615 nm/665 nm emission ratio as indicative of probe:protein proximity.
13354	1	Assessment of HIF-1α and 2α Binding Activity in In Vitro Assays	The binding affinity of the tripeptides was determined against the recombinantly expressed PAS-B domain of both HIF-1α and 2α using microscale thermophoresis (MST). HIF-α proteins were labelled with Monolith NT-647 labelling dye (Nanotemper Technologies GmbH) according to the manufacturer&#39;s instructions. MST experiments were performed on a Monolith NT.115 system (Nanotemper Technologies GmbH), in assay buffer containing 50 nM labelled protein, 10% DMSO and 0.05% TWEEN-20. MST measurements were performed using 50% LED and 50% MST power.
13355	1	Pharmacodynamic Tests	In the present disclosure, a fluorescent molecular probe was constructed based on a MLL1 peptide fragment binding to WDR5, for use as a method for study on an aniline compound interfering with WDR5 protein-protein interaction, to determine an inhibition rate of the aniline compound at various concentrations, and then compute the IC50 value. Specific experimental steps: 20 μL of WDR5 protein, 20 μL of a fluorescent probe, and 20 μL of a compound of different concentration gradients were added to a 384-well plate respectively. After incubation for 0.5 hrs, the fluorescence was read on a multifunctional microplate reader at an excitation wavelength of 485 nm and an emission wavelength of 535 nm, to compute the mP value. The inhibition rate was computed as per the formula below, and then the IC50 value was computed using GraphPad software.
13356	1	ABL1 Biochemical Kinase Assay	ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by centrifugation and resuspended in 50 mM Tris, 500 mM NaCl, 5 mM 3-ME, pH 8.2. Cells were lysed by sonication and clarified by centrifugation. ABL1 was purified by affinity chromatography using a HisTrap column with a wash step in 4% wash buffer (50 mM Tris, 500 mM NaCl, 500 mM imidazole, 5 mM β-ME, pH 8.2) and eluted in a linear gradient of the same buffer. Fractions containing ABL1 were pooled, concentrated and further purified using an ion exchange column washed with 50 mM Tris, pH 8.3 and eluted with a linear gradient of elution buffer (50 mM Tris, 1M NaCl, pH 8.3). Purified protein was stored at −80° C. in 50 mM Tris (pH 8.2), 300 mM NaCl, 1 mM DTT and 20% glycerol.The activity of the enzyme and compound inhibition was tested using an EZ reader microfluidic mobility shift assay (PerkinElmer, Waltham, MA). For inhibition studies, compounds were serially diluted in DMSO, using an 11-point 3-fold format, from a 1000 μM top compound concentration. 20 nL per well of serial diluted compounds were transferred to Greiner polypropylene flat-bottom 384-well assay plates using an acoustic transfer system (Echo 550). A 15 μL reaction mixture containing fluorescent peptide, enzyme, buffer, co-factors and detergent was added to each well and incubated at room temperature (RT) for 30 minutes. 5 μL per well of an ATP solution was then added and reactions were carried out for 90 minutes before being quenched with 70 μL of stopping buffer containing 500 mM EDTA. The reactions were read on an EZ Reader (PerkinElmer, Waltham, MA) using a mobility shift readout. The final concentrations in each reaction were 1.5 μM FL-Peptide 2 (PerkinElmer, Waltham, MA), 1 nM ABL1 WT (64-515 aa) enzyme, 50 mM HEPES (pH 7.5), 1 mM EGTA, 2 mM DTT, 0.05% BSA, 10 mM MgCl2, 0.01% Triton-X100 and 20 M ATP. The final DMSO concentration was 0.1% and the final inhibitor concentration ranged from 1000 nM to 0.017 nM. 
13357	1	In Vitro Assay	CHO-hLPA1 cell lines are cultured in a humidified incubator at 5% CO2 in DMEM/F-12 (1:1) MIXTURE with 2 mM Glutamax, supplemented with 10% of Foetal Bovine Serum, 1 mM Sodium Pyruvate, 11 mM Hepes and 1× Penicillin/Streptomycin. CHO hLPA1 cells are seeded into black walled clear-bottom 384-well plates (#781091, Greiner Bio-One GmbH) at a density of 7,500 cells per well in 50 μl culture media and grown overnight in a 37° C. humidified CO2-incubator. Serial dilutions (1:3 or 1:4, 11 points CRC) of compounds are performed in 100% DMSO at 200× the final concentration. The compounds are diluted 1:50 prior to the experiment with Assay Buffer (20 mM HEPES, 145 mM NaCl, 5 mM KCl, 5.5 mM glucose, 1 mM MgCl2 and 2 mM CaCl2), pH 7.4 containing 0.01% Pluronic F-127) to obtain a solution corresponding to 5-fold the final concentration in the assay (4×, 2% DMSO). The final concentration of DMSO in the assay will be 0.5% in each well. Medium is removed by aspiration and cells are then incubated with 30 μl of a loading solution containing 5 μM of the cytoplasmic Ca2+ indicator Cal-520 AM in Assay Buffer containing 2.5 mM probenecid for 30 min at 37° C. incubator (cell loading). The loaded cell plates are transferred into the FLIPR instrument and calcium responses are monitored during the on-line addition protocols. For testing of compounds, after the cell loading, 10 μl/well of 4× antagonists&#39; solution was added onto the cells. After 30 min pre-incubation (at 37° C.), 10 μl/well of 5× concentrated LPA EC80 was added and Ca2+ mobilization responses was followed during the on-line addition protocol. Intracellular peak fluorescence values subtracted by baseline fluorescence are exported and analysed to determine IC50 values, respectively. 
13358	1	Assay 1: In Vitro DGK Inhibition Assays - Method A	The DGKα and DGKζ reactions were performed using either extruded liposome (DGKα and DGKζ LIPGLO assays) or detergent/lipid micelle substrate (DGKα and DGKζ assays). The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2), and 1 mM DTT (assay buffer). The reactions using a detergent/lipid micelle substrate also contained 50 mM octyl B-D-glucopyranoside. The lipid substrate concentrations were 11 mM PS and 1 mM DAG for the detergent/lipid micelle reactions. The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions. The reactions were carried out in 150 μM ATP. The enzyme concentrations for the DGKα and DGKζ were 5 nMThe compound inhibition studies were carried out as follows: 50 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGKα or DGKζ (prepared as described below) in assay buffer) and 2.5 mL of either 4× liposome or 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 μL 2× enzyme/substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 μL 300 uM ATP. The reactions were allowed to proceed for 1 hr, after which 2 μL Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 μL Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The percent inhibition was calculated from the ATP conversion generated by no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The compounds were evaluated at 11 concentrations to determine IC50.
13358	2	Assay 2: In Vitro DGK Inhibition Assays - Method B	The DGKα and DGKζ reactions were performed using either extruded liposome (DGKα and DGKζ LIPGLO assays) or detergent/lipid micelle substrate (DGKα and DGKζ assays). The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2), and 1 mM DTT (assay buffer). The reactions using a detergent/lipid micelle substrate also contained 50 mM octyl B-D-glucopyranoside. The lipid substrate concentrations were 11 mM PS and 1 mM DAG for the detergent/lipid micelle reactions. The lipid substrate concentrations were 2 mM PS, 0.25 mM DAG, and 2.75 mM PC for the extruded liposome reactions (5 mM total lipid). The reactions were carried out in 150 μM ATP. The enzyme concentrations for the DGKα and DGKζ were nM.The compound inhibition studies were carried out as follows: 25 nL droplets of each test compound (top concentration 10 mM with 11 point, 3-fold dilution series for each compound) solubilized in DMSO were transferred to wells of a white 1536 well plate (Corning 3725). A 5 mL enzyme/lipid substrate solution at 2× final reaction concentration was prepared by combining 2.5 mL 4× enzyme solution (20 nM DGKα or DGKζ (prepared as described below) in assay buffer) and 2.5 mL of either 4× liposome or 4× detergent/lipid micelle solution (compositions described below) and incubated at room temperature for 10 minutes. Next, 1 μL 2× enzyme/lipid substrate solution was added to wells containing the test compound and reactions were initiated with the addition of 1 μL 300 uM ATP. The reactions were allowed to proceed for 2 hr, after which 2 μL Glo Reagent (Promega V9101) was added and incubated for 40 minutes. Next, 4 μL Kinase Detection Reagent was added and incubated for 30 minutes. Luminescence was recorded using an EnVision microplate reader. The percent inhibition was calculated from the ATP conversion generated by no enzyme control reactions for 100% inhibition and vehicle-only reactions for 0% inhibition. The compounds were evaluated at 11 concentrations to determine IC50.
13375	1	Biochemical humanHSD17B11-RapidFire MS/MS Assay	Estradiol (Sigma, Cat #E8875), NAD (Roche, Cat #10621650001) and recombinant hHSD17B11 (U-Protein Express BV, Netherlands) were diluted in assay buffer (100 mM Tris, Sigma, Cat #T2319; sodium chloride, Roth, Cat #3957.2; 0.5 mM EDTA, Invitrogen, Cat #15575020; 0.1% TCEP, Invitrogen, Cat #T2556; 0.05% BSA fraction V (protease and fatty acid free), Serva, Cat #11945; 0,001% Tween20, Serva, Cat #37470). Compounds were serially diluted in DMSO (Sigma, Cat #5879) and spotted on a 384-well Microplate, PP, V-bottom (Greiner, Cat #781280) plate by a Labcyte Echo 55x (1% DMSO in the Assay). First, 6 μL/well of recombinant hHSD17B11 (35 nM final) dilution was added, followed by 15 min incubation at RT. Second, 6 μL/well of diluted Estradiol (30 μM final) and NAD (0.5 mM final) were added, mixed and incubated for 4 h at RT. 1 μL d4-Estrone (50 nM final; Sigma, Cat #489204) followed by 2.4 μL Girard&#39;s Reagent P (6.5 mM final; TCl, Cat #G0030) dissolved in 90% (Sigma, Cat #34860) methanol and 10% formic acid (Merck, Cat #33015) were added to derivatize analytes and stop the enzyme reaction. Incubation was for 12-24 h at RT before adding 70 μL dH2O. The analytical sample handling was performed by a rapid-injecting RapidFire autosampler system (Agilent, Waldbronn, Germany) coupled to a triple quadrupole mass spectrometer (Triple Quad 6500, AB Sciex Germany GmbH, Darmstadt, Germany).
13376	1	Surface Plasmon Resonance Assay	SPR was used to confirm and quantify binding of compounds to human STAT6. Biacore instruments from the 8K-series (Cytiva) were used, and measurements were performed at 25° C. Human STAT6 (truncated, aa122-658, with N-terminal His-tag, expressed in insect cells) was immobilized in the active flow cells on a CM5 chip using amine-coupling (default settings) at 10 μg/ml in 10 mM acetate buffer pH 5.5, at a contact time of 120-420 sec. and a flow rate of 10 μl/min. Reference flow cells were deactivated using blank immobilization. PBS-P+ (Cytiva) supplemented with 2% DMSO was used as running buffer, and solvent correction was applied. Compounds were tested by multi-cycle kinetics injections using a contact time of 60 sec., dissociation time of up to 300 sec., and a flow rate of 30 μl/min. Solvent-corrected, reference-subtracted and blank-corrected data was processed and binding isotherms were fitted according to a single report point from each sensorgram (Standard: Late binding (5 sec. before injection end); alternative: Earlier report point according to binding profile). Data fitting was done both with unfixed Rmax and with Rmax fixed to the theoretical value* assuming 1:1 binding to allow processing of data from both weak and strong binders as well as to evaluate binding stoichiometry.
13377	1	SIK1, 2 and 3 Kinase Activity Assay	SIK (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM AMARAASAAALARRR, 10 mM Magnesium acetate and [γ-33P]-ATP (specific activity and concentration as required). The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%, 10 μL of the reaction was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.SIK2 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KKKVSRSGLYRSPSMPENLNRPR, 10 mM Magnesium acetate and [γ-33P-ATP](specific activity and concentration as required). The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction was stopped by the addition of phosphoric acid to a concentration of 0.5%, 10 μL of the reaction was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.SIK3 (h) was incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 100 μM KKKVSRSGLYRSPSMPENLNRPR, 10 mM Magnesium acetate and [γ-33P-ATP](specific activity and concentration as required). The reaction was initiated by the addition of the Mg/ATP mix. After incubation for 40 minutes at room temperature, the reaction is stopped by the addition of phosphoric acid to a concentration of 0.5%, 10 LL of the reaction was then spotted onto a P30 filtermat and washed four times for 4 minutes in 0.425% phosphoric acid and once in methanol prior to drying and scintillation counting.
13378	1	BTK Kinase Assay	Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfer methodology. Recombinant Btk was pre-incubated with the compounds disclosed herein at room temperature for 1 hour in an assay buffer containing 50 mM Tris pH7.4, 10 mM MgCl2, 2 mM MnCl2, 0.1 mM EDTA, 1 mM DTT, 20 nM SEB, 0.1% BSA, 0.005% tween-20. The reactions were initiated by the addition of ATP (at the concentration of ATP Km) and peptide substrate (Biotin-AVLESEEELYSSARQ-NH2). After incubating at room temperature for 1 h, an equal volume of stop solution containing 50 mM HEPES pH7.0, 800 mM KF, 20 mM EDTA, 0.1% BSA, Eu cryptate-conjugated p-Tyr66 antibody and streptavidin-labeled XL665 was added to stop the reaction. Plates were further incubated at room temperature for 1 hour, and then the TR-FRET signals (ex337 nm, em 620 nm/665 nm) were read on BMG PHERAstar FS instrument. The residual enzyme activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 615 nm to that at 665 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software.
13379	1	CD73 Inhibition Assay	Compound inhibition of human (h)CD73 (amino acids Trp27-Lys547, R&D Systems 5795-EN-500) enzymatic activity was tested via the Malachite Green Phosphate Detection Kit (R&D DY996). Experiments were performed in 20 μL Tris buffer (25 mM Tris pH 7.5, 5 mM MgCl2, 0.002% Tween20), with 250 pM of hCD73. Test compounds of interest were prepared in a threefold serial dilution in DMSO and added to the assay to give the appropriate final concentration, with the assay DMSO concentration being 1%. Compounds were pre-incubated for 20 minutes with hCD73 in a 384 well clear plate (Greiner 781101), followed by the addition of adenosine monophosphate (AMP) to 12.5 μM. The enzymatic reaction was carried out for 20 min at room temperature. 5 μL of Malachite kit reagent A was added to stop the reaction (contains 3M H2SO4) and after 10 min, 5 μL of Malachite kit reagent B was added (Malachite Green). After 30 min, absorbance at 620 nm was read on a BMG Pherastar FSX.
13380	1	Biochemical Assay	Table 2A: Indicative IC50s for compounds synthesised in Table 1 were determined against each of SIK1, SIK2 and SIK3 using a biochemical assay for SIK1, SIK2 or SIK3 activity (Free Choice Kinase Assay provided by ProQinase, Freiburg Germany). Briefly, a radiometric protein kinase assay (33PanQinase® Activity Assay) was used for measuring the kinase activity of the three protein kinases. All kinase assays were performed in 96-well FlashPlates™ from PerkinElmer (Boston, MA, USA) in a 50 ul reaction volume. The reaction cocktail was pipetted in four steps in the following order:20 ul of assay buffer (standard buffer)5 ul of ATP solution (in water)5 ul of test compound (in 10% DMSO)20 ul enzyme/substrate mix[0988]The assay for all protein kinases contained 70 mM HEPES-NaOH pH7.5, 3 mM MgCl2, 3 mM MnCl2, 3 uM Na-orthovanadate, 1.2 mM DTT, 50 μg/ml PEG20000, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase, see Table 2B), [gamma-33P]-ATP (approx. 3.5×10{circumflex over ( )}5 cpm per well), protein kinase (variable amount, see Table 2B), and substrate (variable amounts, see Table 2B).
13380	2	Radiometric Protein Kinase Assay	Table 4: Briefly, a radiometric protein kinase assay (33PanQinase® Activity Assay) was used for measuring the kinase activity of the five protein kinases. All kinase assays were performed in 96-well FlashPlates™ from PerkinElmer (Boston, MA, USA) in a 50 ul reaction volume. The reaction cocktail was pipetted in four steps in the following order:25 ul of assay buffer (standard buffer/[gamma-33P]-ATP)10 ul of ATP solution (in water)5 ul of test compound (in 10% DMSO)20 ul enzyme/substrate mix[1008]The assay for all protein kinases contained 70 mM HEPES-NaOH pH7.5, 3 mM MgCl2, 3 mM MnCl2, 3 uM Na-orthovanadate, 1.2 mM DTT, ATP (variable concentrations, corresponding to the apparent ATP-Km of the respective kinase, see Table 5), [gamma-33P]-ATP (approx. 8×10{circumflex over ( )}5 cpm per well), protein kinase (variable amount, see Table 5), and substrate (variable amounts, see Table 5).
13381	1	ELISA assay for specific human IL-23R inhibitors	A 384-well plate was coated with 50 pl/well of human IL-23 at a final concentration of 1 pg/ml and incubated overnight at 4°C. The wells were washed 3 times with 80 pl wash buffer and blocked with 80 pl blocking buffer for 60 minutes at room temperature and washed again. 20 pl of serially diluted test peptides was added to each well and subsequently 20 pl of recombinant human IL-23R-Fc chimera at final concentration of 0.1 pg/ml. The plate was incubated for 60 minutes at room temperature. After the wells were washed, bound IL-23R-Fc was detected with goat anti-hu- IgG 1 -HRP antibody. Signals were visualized with QuantaBlu Fluorogenic Peroxidase Substrate.
13382	1	Biochemical Assay of the Compounds	Preparation of full-length SARM1 (FL-SARM1) lysate: HEK293T cells (ATCC: CRL-3216) were grown on 150 mm TC-treated dishes to 80-90% confluency in complete DMEM (DMEM (Thermo Fisher: 11965175) supplemented with 10% HI-FBS (VWR: 10802-772), 1x Pen/Strep (Thermo Fisher: 15140122), 1x NEAA (Thermo Fisher: 1140050), 1x glutamax (Thermo Fisher: 35050061), and 1 mM sodium pyruvate (Thermo Fisher: 11360070)) at 37 °C and 5% CO2. One hour prior to transfection, the media was replaced with fresh, 37 °C complete DMEM (20 mL per one 150 mm dish) supplemented with additional 10mM glucose (Alfa Aesar AAJ60067EQE). Per one 150 mm dish, 30 µg FL-SARM1 (SEQ. ID.1; cloned in-house) plasmid was dissolved in 1 mL DMEM at ambient temperature and were mixed by inverting the tube 8-10 times.90 µL of GenJet™ in vitro DNA transfection reagent (Ver2) was dissolved in 1 mL DMEM at ambient temperature and were mixed by inverting the tube 8-10 times. The plasmid and transfection agent solutions were combined, mixed by 8-10 inversions and incubated for 10 minutes at ambient temperature.2 mL of this transfection mixture was added to each dish containing HEK293T cells as prepared above followed by a gentle mixing of 4-5 horizontal rotations. The dishes were incubated at 37^°C and 5% CO2 for 24 h. The dishes were removed from the incubator, the medium was aspirated and the cells were scraped off using cell scrapers in ice-cold 1x PBS (5 mL/dish, Thermo Fisher Scientific 10010023). The collected cells were centrifuged at 300 g for 5 minutes at 4 °C. The supernatant was aspirated and the pellet was frozen at -80 °C until needed. The cell pellet from 30 dishes was dissolved in 30 mL 1x PBS supplemented with 4 tablets of Complete, Mini EDTA-free protease inhibitor cocktail at 4 °C. This mixture was sonicated on ice for 10 minutes at 50% amplitude with a 1 second on/1 second off interval using a Model 120 sonicator (Thermo Fisher Scientific, FB120110). The lysate was centrifuged at 16000 g for 10 minutes at 4 °C. Batches with supernatant possessing NMN-dependent SARM1 activity were selected, pooled, and stored at -80 °C until used in the FL-SARM1 cellular lysate assay described below.
13383	1	mPGES-1 Enzyme Activity Assay	A test compound or DMSO was added to a protein and a reaction buffer (0.1 M potassium phosphate buffer, 2.5 mM GSH) to make a total volume of 100 μL and incubated on ice for 15 minutes. The reaction started when PGH2 was added and 100 μL of a stop solution (40 mM FeCl2, 80 mM citric acid) was added after 2 minutes to complete the reaction. PGE2 production was measured by the PGE2 ELISA kit.
13384	1	In Vitro FRET	BCKDK activity was monitored by phosphorylation of a HIS-tagged fusion BCKDHE1α-E2 substrate protein as described above and was detected using a time resolved-fluorescence resonance energy transfer (TR-FRET) assay system. Compounds were spotted into a 384 well plate, and purified human BCKDK protein was added to the plated compound. After incubation, the LBD-linker-E1 phosphorylation sequence was added in the presence of 15 μM ATP. The reaction was terminated with EDTA. Phosphorylated substrate was recognized by the addition of rabbit anti-E1 phospho Ser293 antibodies (Bethyl Laboratories—A304-672A), and the TR-FRET signal was developed by addition of anti-HIS donor molecules (Europium; Perkin Elmer-AD0205, AD0110, AD0111) and anti-Rabbit acceptor molecules (Ulight; Perkin Elmer-TRF502D, TRF502M, TRF502R). Recognition of phosphorylated E1 brought donor and acceptor molecules into close proximity, and excitation at 320 nm caused energy transfer from the Europium donor to the Ulight acceptor dye, which in turn generated light at 665 nm. Signal intensity was proportional to the level of BCKDK-mediated substrate phosphorylation. Reactions were normalized to zero percent effect with DMSO and one hundred percent effect with 600 μM Radicicol, a known BCKDK inhibitor. IC50 curves were generated using ABASE software (IDBS, Boston Mass.).
13385	1	Biochemical Assay	CDK2 and CDK5 IC50 data were attained through the use of Invitrogen™ commercial assays. The method for CDK2 (assay ID: 315, kinase|Z&#39;-LYTE™|CDK2/Cyclin A|Km app) used a 10-point titration. The method for CDK5 (assay ID: 318, kinase|Z&#39;-LYTE™|CDK5/p25|Km app) used a 10-point titration. All the bifunctional compounds showed potent biochemical inhibition on both CDK2/5 enzymes.
13386	1	MEK Inhibition Assay	Reagents:Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOEnzyme: MEK1, Invitrogen cat #PV3303N-terminal His-tagged recombinant human full length protein, expressed in insect cells. Activated in vitro by RAFT. MW=49.2 kDa, GenBank Accession No. NP_002746.Substrate: 5 μM ERK2 (K52R),Kinase-dead mutant, (GenBank Accession No. NM_0011949), aa2-358 with N-terminal His6 tag, MW=43.63 kDa, expressed in E. coli.The substrate was prepared in freshly prepared Reaction Buffer. The kinase was delivered into the substrate solution and gently mixed. Test compounds were delivered in 100% DMSO into the kinase reaction mixture by Acoustic technology (Echo550; nanolitter range), and incubated for 20 min at room temperature. 33P-ATP was delivered into the reaction mixture to initiate the reaction. The reaction mixture was incubated for 2 hours at room temperature. Kinase activity was detected by P81 filter-binding method.
13387	1	CMV and HSV Polymerase Biochemical Assay	DNA polymerase activity was measured using a molecular beacon-based assay, as described in Ma et. al.100 pM CMV polymerase or 625 pM HSV polymerase was added to a buffer containing 20 mM Tris, pH=7.5, 100 mM NaCl, 10 mM MgCl2, 0.01% Tween-20, 0.5 mM EDTA, 10% Sucrose and 1 mM DTT. The inhibitor was pre-incubated with the polymerase for 30 minutes at room temperature. Reactions were initiated by the addition of a mixture containing 1.25 uM dATP, 1.25 uM dCTP, 1.25 uM dTTP, 1.25 uM dGTP, 200 nM Primer B (5′-GAC GGG AAG-3′5′-GAC GGG AAG-3′) and 100 nM molecular beacon (5′-5,6-FAM-CCT CTC CGT GTC TTG TAC TTC CCG TCA GAG AGG-BHQ1-3′). For human CMV polymerase the reactions were incubated for 60 minutes at room temperature. For HSV polymerase the reactions were incubated for 20 minutes at room temperature. The reactions were then read on a Perkin-Elmer EnVision 2101 reader (fluorescence) using an excitation of 480 nm and emission of 535 nm. 1050s were determined using an internal Novartis software (Helios).
13388	1	Procedure for SOS-Catalyzed Nucleotide Exchange Assay for KRAS-WT, G12C/D/V/A/R/S, G13D, Q61H, HRAS-WT, and NRAS-WT	To assemble the preformed TR-FRET complexes, each biotinylated RAS protein is diluted to 2 μM in an EDTA Buffer (20 mM HEPES pH 7.5, 50 mM sodium chloride, 10 mM EDTA, and 0.01% Tween) and incubated at room temperature for one hour. This mixture is then further diluted to 90 nM in an Assay Buffer (20 mM HEPES pH 7.5, 150 mM sodium chloride, 10 mM magnesium chloride, and 0.005% Tween) containing 15 nM of Terbium-Streptavidin (Invitrogen, catalog #PV3577) and 900 nM of Bodipy-GDP (Invitrogen, catalog #G22360) and incubated at room temperature for six hours. It should be noted that this preformed TR-FRET complex for each of the RAS protein were made ahead of time, aliquoted and stored at −80° C. until the day of the experiment.
13389	1	HPK1 Biochemical Enzyme Assay	HPK1 biochemical enzyme assay: HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay. Reactions were performed in a 384-well plate, containing 1.5 nM HPK1 (Invitrogen), in assay buffer (Cana Biosciences; pH 7.4). Test compounds were titrated in ten point curves (top final assay concentration 3 μM), and preincubated with enzyme/substrate mix for 30 min prior to initiation of the reaction by addition of ATP (1 mM final concentration) and substrate (1 μM final concentration; Carna Biosciences) diluted in assay buffer supplemented by MgCl2 (final assay concentration of 5 mM). Following 60 min incubation at RT, the reaction was terminated by addition of 60 μl/well termination buffer (Carna Biosciences) and signal determination using a Caliper EZ Reader (Perkin Elmer, UK).
13390	1	Inhibition of PARG TEMU Assay	The ability of the compounds of the Examples to inhibit PARG activity in 4. (trifluoromethyl)umbelliferone (TFMU) assay was determined as described below. PARG inhibitors were added into 384 well plate for a 10-point dose response curve at 1:3 dilutions. TFMU PARG substrate and PARG (250 pM or 2 nM) were then added to the plate to initiate enzymatic reaction. After incubation with the reagent, luminescence was read. IC50 values were calculated using set control points for 100% inhibition as no enzyme and 0% inhibition 250 pM or 2 nM of PARG enzyme.
13391	1	HER2 Biochemistry Assay	The purpose of the wtERBB2, ERBB2-A775_G776insYVMA (ERBB2YVMA), wtEGFR biochemical assay was to evaluate the inhibition (% inhibition and IC50 values) of the small molecule inhibitors by using the “HotSpot” radiometric kinase activity assay. HotSpot assays monitor the production of kinase substrate by the radioactive gamma phosphate of adenosine triphosphate (33P-ATP) during biochemical reactions. HotSpot assays was performed in steps upon completion of the kinase reaction: deposition of a reaction mixture aliquot onto P81 ion exchange paper, extensive washing of the aforementioned P81 paper using phosphoric acid to remove unbound radiolabeled 33P-ATP from the P81 paper, and finally visualization and quantification of the dried P81 paper utilizing a phosphoimager. The radioactive signal generated from the aliquot of buffer solution was proportional to the amount of radiolabeled substrate produced, and which is generally reflective of kinase activity. wtERBB2 was purchased from Reaction Biology (Cat: Kin-21-497), ERBB2-A775_G776insYVMA was purchased from SignalChem (Cat: E27-13BG), and wt EGFR was purchased from Invitrogen (Cat: PR7295B). Typical reaction solutions (10 μL final reaction volume) contained the following buffer conditions: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.01% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. The assay was primed by preparing a fresh 0.2 mg/mL solution of pEY (Sigma Cat: P7244) substrate in the reaction buffer and supplementing that solution with 2 mN of MnCl2 as substrate cofactor (Sigma Cat: M9522). The kinase of interest was then added to the solution at the appropriate concentration (30 nM wtERBB2 from, or 20 nM ERBB2YVMA, or 4 nM wtEGFR) and gently mixed prior to delivery of compound in 100% DMSO by acoustic dispensing (Beckman Echo550). Compound, Kinase, and substrate were allowed to incubate for 20 minutes at room temperature prior to the initiation of the reaction by addition of 33P-ATP (PerkinElmer Cat: NEG602, final conc 10 μM). The reaction was allowed to run for 2 hours at room temperature and was then spotted onto P81 ion exchange paper, washed with a 0.75% Phosphoric acid solution, and imaged to quantify the amount of radioactivity.
13392	1	PARP-1 Enzyme Activity Test Experiment	PARP-1 chemical fluorescence detection kit was purchased from BPS Bioscience. The histone solution in the kit was diluted 5× with 1×PBS, and 25 μL of the diluted histone solution was added to a microwell plate and incubated overnight at 4° C. After the incubation, the plate was washed three times with PBST (0.05% Tween-20). 100 μL of the blocking solution was added to the microwell plate and incubated at 25° C. for 90 minutes. After the incubation was completed, the plate was washed three times with PBST. 2.5 μL of compounds at different concentrations diluted in test buffer and 12.5 μL of substrate mixed solution (1.25 μL 10×PARP test buffer; 1.25 μL 10×PARP test mixed solution; 2.5 μL Activated DNA, 7.5 μL double-distilled water) were added to the microwell plate. The PARP-1 enzyme was diluted to 2 ng/μL, L of the diluent was added to the microwell plate, and the reaction system was incubated at 25° C. for 60 minutes. After the incubation was completed, the plate was washed three times with PBST. Streptavidin-HRP was diluted 50× with a blocking solution, and 25 μL of the diluent was added to the microwell plate and incubated at 25° C. for 30 minutes. After the incubation, the plate was washed three times with PBST. ELISA ECL substrate A and substrate B were uniformly mixed at a ratio of 1:1 (v/v), 50 μL of the mixture was added to the microwell plate, and the chemiluminescence value was read.
13393	1	TBD	TBD
13394	1	PARP1 and PARP2 Enzyme Activity Test	1. Test PurposeThis test is used to evaluate the effect of the test compounds on the PARP1 and PARP2 enzyme activities, and the IC50 value of the test compounds on the PARP1 and PARP2 enzymes was calculated using the inhibitory rate.2. Test Materials2.1. Compounds:Test compounds were obtained by the same method as recorded in Test Example 1.2.2. Test Reagents and InstrumentsPARP1 Chemiluminescent assay kit, BPS, 80551;PARP2 Chemiluminescent assay kit, BPS, 80552;PBS, In house, 20210819;Tween-20, Sigma, P9416;96-well polypropylene plate, Nunc, 249944;Centrifuge, XiangYi, TDZ5-WS;Plate reader, BMG, PHERAstar FSX.3. Test Method3.1. Preparation of CompoundsPreparation of 10 mM compound storage solutions: Compound powders were dissolved in 100% DMSO to prepare 10 mM compound storage solutions, respectively.3.2. Enzyme Reaction Process(1) A 5× histone mixture was diluted with PBS at 1:5, added into each well at 50 μL, and incubated overnight at 4° C.(2) Washing was performed with 200 μL of PBST buffer for three times, and incubation was performed in Blocking buffer for 90 min.(3) Washing was performed with 200 μL of PBST buffer for three times.(4) 5 μL of an inhibitor solution was added to each well.(5) 20 μL of diluted PARP was added to each well.(6) 25 μL of biotinylated substrate was added to each well and incubated at room temperature for 1 h.(7) The wells were washed with 200 μL of PBST buffer for three times and sucked to dryness with clean paper towels.(8) 50 μL of diluted Streptavidin-HRP was added to each well and incubated for 30 min.(9) Washing was performed with 200 μL of PBST buffer for three times.(10) 100 μL of a mixture of ELISA ECL substrate A and ELISA ECL substrate B was added to each well.(11) A chemiluminescence signal value was read immediately.
13395	1	Bioassay	The IC50 of each compound shown in Table was with respect to the kappa opioid receptor was determined. The cell line for the OPRK1 antagonist assay stably expresses the following elements. The carboxy terminus of the OPRK1 receptor has a 7 amino acid linker, followed by the TEV protease cleavage site and a GAL4-VP16 fusion protein. The cell line also expresses a b-arrestin-2-TEV protease fusion protein and contains a reporter construct consisting of the UAS response element and the b-lactamase (bla) reporter gene. Upon activation of the receptor, g-protein receptor kinase (GRK) phosphorylates specific intracellular residues of OPKR1 and this induces recruitment of B-arrestin2-TEV protease fusion protein. The TEV protease recognizes and cleaves the TEV site, releasing the GAL4-VP16 fusion protein, which then translocates to the nucleus. The GAL4-V16 binds to the UAS element, driving expressing of the b-lactamase gene. B-lactamase expression is detected with the cell permeable, fluorescent substrate, CCF4-AM. This substrate consists of coumarin tethered to fluoroscein via a b-lactam ring. In the absence of b-lactamase, excitation of the dye with 405 nm light results in FRET from the coumarin to fluoroscein and emission of green (525 nm maximum) light. B-lactamase cleavage of the substrate separates the courmarin fluorophore from the fluorscein, and 405 nm excitation results in blue (460 nm maximum) emission.
13396	1	Human C1s Enzyme Assay	Human complement C1s enzyme (purified from human serum, Complement Technology, Inc.) at 1.16 nM final concentration was incubated with test compound at various concentrations for 5 min at room temperature in 50 mM Tris, 1 M NaCl, pH 7.5. A synthetic substrate Z-L-Lys-SBzl and DTNB (Ellman&#39;s reagent) were added to final concentrations of 100 μM each. Absorbance at 405 nm (A405) was recorded at 30 second intervals for 30 min using a microplate spectrophotometer. IC50 values were calculated by nonlinear regression of complement C1s reaction rates as a function of test compound concentration.
13397	1	Inhibition Kinase Assay	Inhibition of CHK-1 kinase or percent inhibition at defined concentrations was determined by TR-FRET assay. Kinase reactions were performed in a 20 μL volume in low-volume 384-well plates (Cat #Corning 4511). The concentration of substrate Fluorescein-CREBtide was maintained at 0.2 μM in the assay, and the kinase reaction buffer consisted of 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. Serially diluted compounds (3-fold) in DMSO (0.5% in final reaction) were incubated with cocktail of CHK-1 kinase (6 nM; Cat #PR3959B, ThermoFisher), Fluorescein-CREBtide (0.2 μM; Cat #PV3508, ThermoFisher), ATP (15 μM; Cat #A1852, Sigma), and kinase reaction buffer. After 1 hour kinase reactions at room temperature, 10 μL of Detection mix (8 nM LanthaScreen® Tb-CREB [pSer133] antibody, Cat #PV3542, ThermoFisher with 20 mM EDTA in TR-FRET Buffer, Cat #PV3574, ThermoFisher) was added, and the plate was read with a plate reader (Synergy™ NEO; Biotek) for TR-FRET.
13398	1	RFMS1 Assay	Reaction volume: 26 μlAssay buffer: 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 M Calcium, and 5 μM TPENFinal concentrations: 5 nM hPAD4 enzyme, 250 M BAEE, and 0.5% DMSOTotal incubation time: 30 mins compound and enzyme preincubation at 37° C., 90 min enzyme/substrate reaction, 30 min reaction with phenyl glyoxal at 37° C.Stop solution: 40 μl 5% TCA in ACN0.13 μL of compound solution was added to 13 μL of 10 nM PAD4 in assay buffer. After 30 μl min 13 μl of 500 M of BAEE was added in 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 μM Calcium, 5 μM TPEN was added and the reaction incubated for 90 min at 37° C. The enzymatic reaction was quenched by addition of 15 μl of 6.1N TCA, 100% Final Concentration is 20%, 35 μl of 8.5 mM phenyl glyoxal (final concentration 4 mM) is then added and the reaction is incubated for 30 min at 37° C.
13398	2	RFMS2 Assay	Final Assay Conditions:Total reaction volume: 25 μlAssay buffer: 100 HEPES pH 7.4, 200 mM NaCl, 2 mM CaCl2, 5 mM DTT35 nM recombinant human PAD4500 μM TSTGGRQGSHH peptide1.2% DMSOStop solution: 10% formic acidReaction mixtures were incubated at room temperature for 30 minutes. 10 μl each of the reaction mixtures was then mixed with 40 μl of 10% formic acid in a microtiter plate. The plate was frozen at −80° C. before shipping out on dry ice for RapidFire mass spectroscopy analysis.Thawed samples were loaded onto the Rapid Fire 300 system (Agilent) wherein they were first sipped for 250 ms and then loaded onto a Agilent “C” (C18) cartridge using a mobile phase of water containing 0.09% formic acid/0.01% trifluoroacetic acid for 3000 ms desalting flowing at a rate of 1.5 ml/min. Once the samples were loaded and washed, a mobile phase of acetonitrile containing 0.09% formic acid/0.01% trifluoroacetic acid was used to elute the samples directly onto a Sciex API4000 triple quadrupole mass spectrometer for 3000 ms at a flow rate of 1.25 ml/min.
13399	1	RIPK2 Binding Competition Assay	For the assay, 50 nL of a 100-fold concentrated solution of each test compound in DMSO was pipetted into either a black low volume 384-well microtiter plate or a black 1536-well microtiter plate (both Greiner Bio-One, Frickenhausen, Germany), 3 L solution of Tracer 199 (16.7 nM=>final concentration in 5 μL assay volume is 10 nM) in aqueous assay buffer (25 mM Tris/HCl pH 7.5, 10 mM magnesium chloride (MgCl2), 5 mM β-glycerophosphate, 2.5 mM dithiothreitol (DTT), 0.5 mM ethylene glycol-bis(2-aminoethylether)-N,N,N′,N′-tetraacetic acid (EGTA), 0.5 mM sodium ortho-vanadate, 0.01% (w/v) bovine serum albumin (BSA), 0.005% (w/v) Pluronic F-127 (Sigma)) were added. Then the binding competition was started by the addition of 2 μL of a solution of the GST-RIPK2 fusion protein (2.5 nM=>final conc. in the 5 μL assay volume is 1 nM) and of Anti-GST-Tb (1.25 nM=>final conc. in the 5 μL assay volume is 0.5 nM), a Lumi4®-Tb cryptate-conjugated anti-GST antibody from PerkinElmer (catalogue no 61GSTTAH), in assay buffer.
13400	1	Biochemical DGK IC50 Assays	Enzymatic reactions of DGKζ, DGKα and DGKδ were performed using ADP-Glo assay with lipid micelle substrate. Full length DGK (in-house protein M1-V929 with SEQ ID No: 2) was expressed in baculovirus expression system. Full length DGKα (D21-10BG, SignalChem) and full length DGKδ (D23-10G, SignalChem) were purchased. Lipid micelle was prepared by dissolving DAG (Sigma, 317505-10MG) and PS (Sigma, P7769-100MG) with chloroform which was furtherly removed by rotary evaporation. The resulted product was resuspended in buffer containing 25 mM HEPES pH 7.0, 0.5 mM EDTA and 160 mM Octyl P-D glucopyranoside by vigorous mixing and ultrasonic (IID, Scientz). Final concentration in reaction. Enzyme (nM)ATP (μM)DAG (μM)DGKα 7.5 140 80DGKδ 10 140 80DGKζ 0.5 140 80[1096]. The inhibition activities testing for the compound disclosed herein were carried out at room temperature in assay buffer containing 50 mM HEPES, 10 mM MgCl2, 0.01% BSA, 0.1 mM Na3VO4, 0.005% Tween-20 and 0.01 mM CaCl2. Compounds in DMSO were dispensed into wells of a black 384 well plate (Corning 4514) using D300e digital dispenser (Tecan). The ranges of compounds final concentration were 1.55-10000 nM or 23.3-150000 nM. 3 μL 2× enzyme solution was added to wells. After incubation for 1 hour, 3 μL 2× substates solution containing 160 μM DAG and 280 μM ATP was added to the wells to initiate reaction. After 1 hour reaction, 5 μL ADP-Glo reagent (Promga V9101) was added and incubated for 40 minutes. 10 μL Kinase Detection reagent was added and incubated for 30 minutes. Luminescence was measured on a microplate reader (PHERAstar FSX, BMG labtech). The IC50s are calculated based on inhibition of enzyme activity in the presence of increasing concentrations of compounds. Selected compounds had no inhibitory activity on DGKδ.
13401	1	PARP Mass Spectroscopy Assay 	PARP1 enzymatic assays were performed in 384-well plates in a total volume of 20 μL in the assay buffer. For concentration response curves, compounds were serially diluted 3-fold from 2 mM highest concentration 0.1013 mM to generate a 10-point curve, and 125 nL was transferred to the assay plate using the Echo acoustic dispenser for a final concentration range of 26.6 μM to 1.35 μM in 10 μL reaction. Five microliters of 10 nM PARP1 enzyme and 100 nM core histones (2×) mix were added to the assay plates and pre-incubated for 30 mins at room temperature (RT). The reaction was initiated by the addition of a 5 μL of 10 uM β-NAD plus 0.02 mg/mL activated DNA (2×) mix. The reaction is incubated for 60 min at RT. The final concentration of the PARP1 enzyme and substrate concentrations were 5 nM and 5 uM, respectively. The positive control (high signal) and negative control (low signal) wells had 125 nL of DMSO in place of compounds. After the incubation is complete, the reaction is stopped by the addition of 10 μL of 10 uM of the 3ABA PARP1 inhibitor, incubated for 5 min at RT, and placed in the −80 C freezer for shipment to the Valo Health site in Branford Connecticut where mass spectrometry will be used to directly detect quantities of nicotinamide (NAM).
13402	1	Rac Activation AlphaScreen Assay (RacI AS)	AlphaScreen assays were performed in 96-well microplates in a final reaction volume of 60 μL. Recombinant His-Rac1, recombinant GST-PBD (PAK Binding Domain), donor and acceptor beads (PerkinElmer), and inhibitors were incubated in exchange buffer (20 mM Tris pH 7.5, 50 mM NaCl, 1 mM MgCl2, 1 mM EDTA, 500 nM GTPyS (guanosine 5′-[Y-thio]triphosphate)) at 37° C. Readings were performed on a Tecan M 1000 pro microplate reader after 1 hour. Data was analyzed using the GraphPad Prism software (GraphPad Software, Inc.), and IC50 (dose leading to 50% disruption of complex) was calculated from the dose-response curves.
13403	1	Biological Assay	Recombinant ROCK1 and ROCK2 was purchased from Thermo Fisher with catalogue numbers PV3691 and PR71168. The inhibition potency of compounds against these enzymes was assessed using Lance Ultra Kinase Assay. In brief, recombinant kinases were pre-incubated in the presence or absence of compound at room temperature for 30 minutes. The reaction was initiated by the addition of the ATP (Km) and substrate peptide which could be phosphorylated by kinases in the reaction. After 1 h incubation, the reaction was stopped by the addition of the detection reagent mix containing EDTA. The fluorescence was measured at 615 nm and 665 nm, respectively with excitation wavelength at 320 nm. The calculated signal ratio of 665 nm/615 nm is proportional to the kinase activity. The concentration of compound producing 50% inhibition of the respective kinase (IC50) was calculated using four-parameter logistic.
13404	1	 Biochemical Activity and Potency of Various HDAC6 Inhibitors of Formula (II)	The compounds disclosed herein, in particular those of Formula (II), were synthesized according to methods disclosed in WO 2021/067859, which is incorporated herein by reference in its entirety. These compounds were tested for potency against HDAC6 and selectivity against HDAC1 in a biochemical assay. A biochemical assay was adopted using a luminescent HDAC-Glo I/II assay (Promega) and measured the relative activity of HDAC6 and HDAC1 recombinant proteins. Compounds were first incubated in the presence of HDAC6 or HDAC1 separately, followed by addition of the luminescent substrate. The data was acquired using a plate reader and the biochemical IC50 were calculated from the data accordingly.
13405	1	CBP Bromodomain Binding Assay (TR-FRET)	Compounds solutions of 10 mM in DMSO were pre-diluted in DSMO to 25× stock solutions in DMSO. These were then diluted down to 4× in Assay buffer. A dilution series in Assay buffer was performed keeping the DMSO concentration stable. 5 μl compound in assay buffer was transferred into the assay plate (provided by assay kit) and the TR-FRET assay Cayman chemicals; 600850) was performed using the manufactor&#39;s instructions. After 1 hour incubation at room temperature in the dark, assay plates were read in a Tecan M1000 plate reader using the TR-FRET mode (top read; excitation 340 nM bandwidth 20 nM; emission 620 nM bandwidth 7 nM; gain optimal determined for the first well, number of flashes: 5; flash frequency 100 Hz; integration time: 500 μs, lag time: 100 μs, room temperature). The TR-FRET ratio was calculated by dividing 670 nm emission by 620 nm emission. Calculation of EC50 was done on normalized values (DMSO=1) and positive control (0). Values were log transformed and non-linear regression with variable slope (4 parameters) was used to fit values to a dose-response curve to evaluate EC50 values.
13406	1	CYP Panel Profile: P450 Inhibition	From 10 mM stock solutions of test compounds, a dilution plate was prepared diluting serially starting from 5 mM up to 2 μM in Acetonitrile/DMSO or Methanol/DMSO Human liver Microsomes were added at required concentration as per specific CYP isoform in a deep well assay plate (1A2, 2C9, 2D6, 2B6, 2C8, 2C19, and 3A4). Compounds were spiked in all wells from dilution plate at final concentrations starting from 50 μM up to 0.02 μM, except for positive and negative control. Specific substrate were added to all wells and reactions were pre-incubated for 10 min. To start reactions, NADPH was added to all wells at 1 mM final concentration. Assay plate was mixed by vortexing and incubated at 37° C. for 10 mM for 3A4.20 min for (1A2, 2C9, 2B6, 2C8, 2D6) and 40 mM for 2C19. A quencher with chilled acetonitrile suitable internal standard was added. Samples were centrifuged and supernatants were collected and subjected to LC-MS/MS analysis for determination.
13407	1	Fluorescence Anisotropy Binding Assay	Binding affinity of the newly synthesized compounds to the BRD4 BrD1 was assessed in a fluorescence anisotropy assay using a fluorescein isothiocyanate (FITC)-labeled MS417 as an assay probe (Zhang et al. 2008 op.cit.). Competition binding was performed with a BrD protein (0.25 to 1 μM) and the fluorescent probe (80 nM), and increasing concentration of unlabeled competing ligand in a PBS buffer (pH 7.4) in total volume of 80 μL. Measurements were obtained after 1 hour incubation of the fluorescent ligand and the protein at 25° C. with Safire 2 microplate reader (Tecan). In the assay, fluorescent ligand concentration was ≤2Kd, and protein concentration was set at which 50-80% of fluorescent ligand is bound. Dissociation constant of a competing ligand was calculated with the correction to Cheng-Prussoff equation introduced by Nicolovska-Coleska and colleagues [Nikolovska-Coleska, Z. et al., Anal Biochem 332, 261-273 (2004).
13408	1	TBD	TBD
13409	1	PD1-PDL1 HTRF Binding Activity Test	1. Pre-diluted compound solution, 4 μL of Tag1-PD-L1 and 4 μL of Tag2-PD1 were added to each well of a 384-well plate;2. After the mixture was incubated at room temperature for 15 min, 5 μL of anti-Tag1-Eu3+ antibody and 5 μL of anti-Tag2-XL665 antibody were then added;3. After incubated for 2 hrs at room temperature or overnight at 4° C., plates were read on Envision of Pelkin Elmer; and readings at 665 nm and 620 nm were recorded, and the ratio of the two readings was taken as a reading for each well;4. The reading of each well after compound treatment was compared with the reading of DMSO treated wells to obtain the percent inhibition of the compound;5. IC50 values of compounds and positive compounds of the examples of the present invention were determined by non-linear regression analysis of percent inhibition at different compound concentrations.
13410	1	In Vitro Kinase Assay	In vitro kinase assays were performed as described below:Recombinant His-tagged ULK1/Atg13 kinase complex was expressed in SH9 insect cells, and affinity-purified by Ni-NTA beads, aliquoted and stored at −80° C.Compounds were dissolved in DMSO to make 10 mM stock solution, aliquoted and stored at −80° C.1× kinase buffer was prepared: 20 mM Tris-HCl, pH7.5, 100 mM NaCl, 5 mM MgCl2, 0.5 mg/ml BSA, 5 mM DTT, 0.1% Tween-20.For compound screening experiment, 1 μl of the 10 mM compound stock solution was added using P2.5 pipette into 99 μl 1×kinase buffer to make 100 μM working solution.For compound titration experiment, 100 μM compound solution was further diluted (with 1×kinase buffer containing 1% DMSO) in a series manner.30 mM MBP (Myelin basic protein) 1-20 peptide (sequence: ASQKRPSQRSKYLATASTMD; SEQ ID NO: 1) was prepared in 1× kinase buffer.500 μM ATP was prepared in 1× kinase buffer. Pre-incubation reactions were set up as shown in the Table below and pre-incubated for 10 min at room temperature.Pos Neg Test1x kinase buffer 4 μl 8 μl 4 μl20 nM ULK1 4 μl  0 μl 4 μl30 mM MBP 4 μl 4 μl 4 μlCompound or 4 μl 1% DMSO  4 μl 1% DMSO  4 μl compound DMSO control TOTAL 16 μl 16 μl 16 μl4 μl of 500 μM ATP was added to the pre-incubation reaction (thus the final reaction volume is 20 μl) and incubated for 75 min at room temperature.20 μl Kinase-Glo Plus (Promega) was added to the reaction (warmed to RT), mixed well and incubated at room temperature for 15 min.20 μl reaction was pipetted into each well of a white 384-well plate.the 384-well plate was subjected to brief centrifugation, and luminescence was read in a plate reader.
13411	1	Inhibitory Activity using DGLA-CoA and Arachidonyl-CoA Mass Spectrometric Assays	Membrane preparations of D5D-overexpressing HEK293 6E cells were prepared in which the total protein concentration was 5.6 mg/mL. Stock D5D membrane preparations were diluted in D5D assay buffer (25 mM 2-amino-2-(hydroxymethyl)-1,3-propanediol, pH 7.5 containing 10 mM MgCl2, 1 mM octyl glucoside (SigmaAldrich 0-8001), 1 mM tris(2-carboxyethyl)phosphine hydrochloride (SigmaAldrich 646547)) to a final D5D membrane concentration of 10 μg/mL in an assay plate containing serially diluted test compounds. To 15 μL of this D5D preparation was added 15 μL of a substrate solution (0.25 mM NADH (nicotinamide adenine dinucleotide, Roche Diag. 10107735001), 0.25 mM adenosine triphosphate (SigmaAldrich A-3377), 0.05 mM coenzyme A hydrate (SigmaAldrich C-4282), and 0.01 mM DGLA (dihomo-g-linolenic acid, Sigma E-4504) in the same D5D assay buffer. After one-hour incubation at ambient temperature acetonitrile (30 μL) was added to quench the reaction and plates were centrifuged for 10 min @3,000 rpm. Mass spectrometric analysis involved a Rapidfire 360 SPE system coupled to an ABSciex API4000 Triple Quadrupole mass spectrometer using a C18 SPE cartridge (G9203-80105) with ionization in negative mode (solvent A=100% water; solvent B=100% acetonitrile, each solvent containing 5 mM ammonium acetate). DGLA-CoA and Arachidonyl-CoA were detected by multiple reaction monitoring (MRM) of the doubly charged parent ions at m/z 526.6 and 525.6, respectively.
13412	1	Menin/MLL Homogenous Time-Resolved Fluorescence (HTRF) Assay	To an untreated, white 384-well microtiter plate was added 40 nL 200× test compound in DMSO and 4 μL 2× terbium chelate-labeled menin (vide infra for preparation) in assay buffer (40 mM Tris.HCl, pH 7.5, 50 mM NaCl, 1 mM DTT (dithiothreitol) and 0.05% Pluronic F-127). After incubation of test compound and terbium chelate-labeled menin for 30 min at ambient temperature, 4 μL 2×FITC-MBM1 peptide (FITC-β-alanine-SARWRFPARPGT-NH2 (SEQ ID NO: 2)) (“FITC” means fluorescein isothiocyanate) in assay buffer was added, the microtiter plate centrifuged at 1000 rpm for 1 min and the assay mixtures incubated for 15 min at ambient temperature. The relative amount of menin.FITC-MBM1 complex present in an assay mixture is determined by measuring the homogenous time-resolved fluorescence (HTRF) of the terbium/FITC donor/acceptor fluorphore pair using an EnVision microplate reader (ex. 337 nm/terbium em. 490 nm/FITC em. 520 nm) at ambient temperature. The degree of fluorescence resonance energy transfer (the HTRF value) is expressed as the ratio of the fluorescence emission intensities of the FITC and terbium fluorophores (Fem 520 nm/Fem 490 nm). The final concentrations of reagents in the binding assay are 200 pM terbium chelate-labeled menin, 75 nM FITC-MBM1 peptide and 0.5% DMSO in assay buffer. Dose-response titrations of test compounds are conducted using an 11 point, four-fold serial dilution scheme, starting typically at 10 μM.
13413	1	PERK In Vitro Activity Assay 	In vitro Inhibition of PERK Enzyme Activity (isolated) Recombinant human EIF2AK2 (PKR) catalytic domain (amino acids 252-551), EIF2AK3 (PERK) catalytic domain (amino acids 536-1116), GFP-eIF2a substrate, and Terbium-labelled phospho-eIF2a antibody is obtained (Invitrogen, Carlsbad, CA). Express and purify HIS-SUMO-GCN2 catalytic domain (amino acids 584-1019) from E. coli. Perform TR-FRET kinase assays in the absence or presence of inhibitors in a reaction buffer consisting of 50 mM HEPES, pH 7.5, 10 mM MgCb, 1.0 mM EGTA, and 0.01% Brij-35, and 100-200 nM GFP-eIF2a substrate. PKR assays contain 14 ng/mL enzyme and 2.5 μM ATP (Km, −2.5 μM), PERK assays contain 62.5 ng/mL enzyme and 1.5 μM ATP (Km. app −1.5 uM), and GCN2 assays contain 3 nM enzyme and 90 μM ATP (Km, −200 uM). Add test compound, initiate the reaction by addition of enzyme, and incubate at room temperature for 45 minutes. Stop the reaction by addition of EDTA to a final concentration of 10 mM, add Terbium-labelled phospho-eIF2a antibody at a final concentration of 2 nM, and incubate for 90 minutes. Monitor the resulting fluorescence in an EnVison Multilabel reader (PerkinElmer, Waltham, MA). Determine TR-FRET ratios and the resulting IC50 values using a 4-parameter nonlinear logistic equation as shown: Y=(A+((B−A)/(1+((C/x)AD)))) where, Y=% specific inhibition, A=Bottom of the curve, B=Top of the curve, C=absolute IC50 (concentration causing 50% inhibition), and D=hill slope.
13414	1	AlphaLISA assay	According to the specification, test buffer was used to dilute the enzyme complex, methyl donor S-adenosylmethionine (SAM) (Sigma, Art. No. A7007), protease inhibitor (sinefungin) (Sigma, Art. No. S8559), biotinylated peptide substrate (AnaSpec, Art. No. 64440), 2.5 microliter of 4-fold enzyme complex (BPS, Art. No. 51004), 2.5 microliter of 4-fold test inhibitor buffer, 5 microliter of biotinylated histone (H3) and 2-fold methyl donor S-adenosylmethionine were added to a 384-well plate and incubated at room temperature. Finally, 15 microliter of detection solution mixture was added under weak light and incubated at room temperature for 60 minutes, and the value was recorded.
13415	1	HPK1 Lantha Binding Assay	The following assay concentrations and times were used: 2 nM HPK1, 2 nM Eu-Anti-GST Ab, and 15 nM Tracer222, with 60 min incubation time.III. HPK Lantha Binding Assay:For the binding assay, 4 μL 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solutions were incubated in a 23 C incubator for 1 h. To each well of the assay plate was added 4 μL 2× Tracer-222 using a Multidrop reagent dispenser. The solutions were again incubated in a 23° C. incubator for 1 h. The results of the assay were read using an Envision plate reader with the following parameters: TR_FRET, 340 ex/615 and 665 em; 100 μsec Delay; and 200 μsec integration.
13416	1	Radiometric Protein Kinase Assay	(33PanQinase® Activity Assay) was used for measuring the kinase activity of the two protein kinases (CDK12/CDK7). All kinase assays were performed in 96-well FlashPlates™ from PerkinElmer (Boston, MA, USA) in a 50 μL reaction volume.The reaction cocktail was pipetted in four steps in the following order:20 μL of assay buffer (standard buffer)5 μL of ATP solution (in H2O)5 μL of test compound (in 10% DMSO)10 μL of substrate/10 μL of enzyme solution (premixed)For the CDK7 assay, a reaction mixture (50 μL) containing the following components was prepared:70 mM HEPES-NaOH (pH 7.5);sodium orthovanadate (3 μM);PEG-20000 (50 μg/mL);DTT (1.2 mM);MgCl2 (3 mM);MnCl2 (3 mM);purified human CDK7/CycH/MAT1 (3.3 nM—Lot 02);RBER-CHKtide substrate (40 μg/mL—Lot 106);ATP (3 μM);[γ-33P]-ATP (approx. 8×105 cpm per well); andtest compound at the appropriate concentration such that the final concentration of DMSO was 10% w/w.For the CDK7 assay, a reaction mixture (50 μL) containing the following components was prepared:70 mM HEPES-NaOH (pH 7.5);sodium orthovanadate (3 μM);PEG-20000 (50 μg/mL);DTT (1.2 mM);MgCl2 (3 mM);MnCl2 (3 mM);purified human CDK12 wt/CycK (14.7 nM—Lot 02);RBER-IRStide substrate (40 μg/mL—Lot 036);ATP (0.3 μM);[γ-33P]-ATP (approx. 8×105 cpm per well); andtest compound at the appropriate concentration such that the final concentration of DMSO was 10% w/w.The reaction mixture was incubated at 30° C. for 60 min and then stopped by the addition of 2% (v/v) H3PO4. Plates were aspirated and washed two times with 200 μL 0.9% (w/v) NaCl. Incorporation of 33Pi was determined with a microplate scintillation count (Microbeta, Wallac).
13417	1	RFMS Human PAD4 Functional Assay 1	Reaction volume: 26 μlAssay buffer: 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 μM Calcium, and 5 μM TPENFinal concentrations: 5 nM hPAD4 enzyme, 250 μM BASE, and 0.5% DMSOTotal incubation time: 30 mins compound and enzyme preincubation at 37° C., 90 min enzyme/substrate reaction, 30 min reaction with phenyl glyoxal at 37° C.Stop solution: 40 μl 5% TCA in ACN0.13 μL of compound solution was added to 13 μL of 10 nM PAD4 in assay buffer. After 30 min 13 μl of 500 μM of BAEE was added in 25 mM hepes, pH 7.5, 5 mM NaCl, 1 mM DTT, 0.2 mg/ml BSA, 0.01% CHAPS, 50 μM Calcium, 5 μM TPEN was added and the reaction incubated for 90 min at 37° C. The enzymatic reaction was quenched by addition of 15 μl of 6.1N TCA, 100% Final Concentration is 20%, 35 μl of 8.5 mM phenyl glyoxal (final concentration 4 mM) is then added and the reaction is incubated for 30 min at 37° C.After 30 minutes the plates are spun down to remove all precipitate. The enzyme reaction was quenched with an equal volume of methanol containing internal standard (modified citrulline). Samples were loaded onto the Rapid Fire RF300 system (Agilent) wherein they were first sipped for 1000 ms and then directly loaded to a C18 separations cartridge using a mixture of acetonitrile containing 0.01% formic acid for 3000 ms desalting. The flow rate of the mobile phase was 1.5 ml/min. Once the samples were eluted from the cartridge, a mobile phase of acetonitrile containing 0.01% formic acid was used to move the samples into the mass spectrometer for 4000 ms at a flow rate of 1.25 ml/min/Sciex API5500 triple quadrupole mass spectrometer (Applied Biosystems) equipped with ESI was used to analyze the peptidyl citrulline and internal standard ions.
13417	2	RFMS Human PAD4 Functional Assay 2	Compound Preparation:Stock compounds were dissolved and stored in 100% DMSO. Compound solutions were prepared via serial dilution at 3-fold intervals in DMSO with top compound concentration at 20 μM in each assay. 0.25 μl of compound solution was transferred from the compound plate to the assay plate by using an acoustic dispenser.Final Assay Conditions:Total reaction volume: 25 μlAssay buffer: 100 HEPES pH 7.4, 200 mM NaCl, 2 mM CaCl2, 5 mM DTT35 nM recombinant human PAD4500 μM TSTGGRQGSHH peptide1.2% DMSOStop solution: 10% formic acidReaction mixtures were incubated at room temperature for 30 minutes. 10 μl each of the reaction mixtures was then mixed with 40 μl of 10% formic acid in a microtiter plate. The plate was frozen at −80° C. before shipping out on dry ice for RapidFire mass spectroscopy analysis.Thawed samples were loaded onto the Rapid Fire 300 system (Agilent) wherein they were first sipped for 250 ms and then loaded onto an Agilent “C” (C18) cartridge using a mobile phase of water containing 0.09% formic acid/0.01% trifluoroacetic acid for 3000 ms desalting flowing at a rate of 1.5 ml/min. Once the samples were loaded and washed, a mobile phase of acetonitrile containing 0.09% formic acid/0.01% trifluoroacetic acid was used to elute the samples directly onto a Sciex API4000 triple quadrupole mass spectrometer for 3000 ms at a flow rate of 1.25 ml/min.
13418	1	CHK1 Inhibitory Activity Test	Table 4-1 and 4-2: IMAP TR-FRET Screening Express Kit (R8160) was obtained from Molecular Devices. CHK1 kinase (02-117, Carna Bio), FAM-labeled CHK1tide (R7185, Molecular Devices), and ATP were diluted with an assay buffer so that the final concentration would be 4 μg/mL, 2 μM, and 20 μM, respectively. FAM-PKAtide (R7255, Molecular Devices) and FAM-Phospho-PKAtide (R7304, Molecular Devices) were admixed after dilution, and calibration standard systems for phosphorylation levels from 0 to 100% were created. 5 μL of a compound dissolved in a 0.4% DMSO solution was added to a 384 well plate. A compound study group to which 5 μL of each of CHK1, CHK1tide, and ATP was added, and a standard group to which 20 μL of standard was added were created, and subjected to a kinase reaction for 3 hours at 30° C. Subsequently, 60 μL of Binding Reagent (80% Buffer A, 20% Buffer B, 1:600 Binding Reagent, 1:400 Tb-Donor) was added for a binding reaction for 2 hours at room temperature. SpectraMax Paradigm (Molecular Devices) was used to obtain fluorescence intensity of 520 nm or 490 nm as of 340 nm excitation. The standard was used to compute the phosphorylation level of CHK1tide, and the kinase activity was found by using the equation described below while assuming the phosphorylation level of the DMSO treated group as 100%, and the IC50 value corresponding to the concentration of the evaluated compound indicating kinase activity of 50% was calculated.
13418	2	hERG Current Blocking Test	Table 6-1 and 6-2: The test compounds were added to cultured hERG (human Ether-a-go-go Related Gene) gene stably expressing CHO cell line cells to achieve 0.27 to 100 μM. The hERG current under electric potential stimulation was measured using Qube384 (Sophion Bioscience) to calculate the concentration at which each test compound suppresses 50% hERG current (IC50 value; μM).
13419	1	hERG Activity Assay	The assay was done using Predictor™ hERG Fluorescence Polarization Assay kit (Invitrogen) according to the manufacturer&#39;s instructions. Briefly, a reagent solution of hERG membranes and buffer (microliter 15 microliter) was added using liquid handler to 384 black low-volume plates. Compounds were added in a dose response manner from 0.1 micromol-100 micromolar, and incubated for 15 minutes at room temperature (RT). Following 15 minutes, fluorescent tracer (5 microliter) was added, and the reaction was carried out for 2 hours at RT. The results were recorded using TECAN SPARK plate reader with fluorescence polarization module.
13420	1	MASTL Activity Assay	Wild-type human active MASTL (154 pM) was incubated in assay buffer (50 mM HEPES, 100 mM NaCl, 0.1 mM EGTA, 10 mM MgCl2, 0.01% Tween-20, 0.5 mM TCEP, pH 7.5) with biotin tagged 40-mer ENSA peptide (10 nM), test compound and ATP (18 μM) for 60 minutes at room temperature. Test compounds were assayed using a 12-point dose range consisting of a 0, DMSO control and 10 sequential doses consisting from 0.0005, 0.002, 0.005, 0.014, 0.04, 0.12, 0.37, 1.11, 3.33 and 10 μM. The DMSO concentration was the same (1%) in all samples. An equal volume of detection buffer (assay buffer+267.5 pM Ab-K, 1.25 nM SA-D2, 20 mM EDTA and 400 mM KF) was added to stop the reaction to make a final volume of 20 μl, RT for 60 mins. Activity was measured using a plate reader (PerkinElmer EnSight) by the FRET signal generated between SA-D2 (streptavidin-D2) and Ab-K (anti-phospho-Serine 67 ENSA antibody (rabbit polyclonal, using standard techniques by a commercial supplier) conjugated to Cryptate). HTRF reagents (CisBio) were prepared as per the manufacturer recommendations. The 40-mer biotin-tagged ENSA peptide (synthesised by Bionics) used was based around Serine 67 on ENSA (YPSLGQKPGGSDFLMKRLQKGQKYFDSGDYNMAKAKMKNK).
13421	1	In Vitro Analysis of Compounds	Proteins used as transcription factors (POLRMT: NP_005026.3, TFAM: NP_003192.1, TFB2M: NP_071761.1) are diluted from their stocks to working concentrations of 1 μM, 20 μM and 4 μM respectively, in a dilution buffer containing 20 mM Tris-HCl (pH 8.0), 200 mM NaCl, 10% (v/v) glycerol, 1 mM Dithiothreitol (DTT), 0.5 mM EDTA.DNA template is a pUC18 plasmid with the mitochondrial light strand promotor sequence (1-477) cloned between HindIII and BamHI sites. The DNA template is restriction linearized proximal to the promotor 3′-end (pUC-LSP).The reaction mixture (10 uL) containing 7.5 nM POLRMT, 15 nM of TFB2M, 30 nM of TFAM, 0.5 nM of DNA template and 500 μM nucleotide triphosphate mix (NTPs) in a reaction buffer (containing 10 mM Tris-HCl (pH 7.5), 10 mM MgCl2, 40 mM NaCl, 10 mM DTT, 0.005% (w/v) Tween-20, 160 units/ml Rnase inhibitor and 0.1 mg/mL BSA) are dispensed to compounds in microplates, using a Thermo Multidrop® dispenser, and incubated at 37° C. in a VWR INCU-Line incubator for 60 minutes after mixing. No nucleotide triphosphate mix is added to negative control samples. Microplates with compounds to be tested in the assay are prepared from 10 mM compound stocks in 100% DMSO, equal amounts of DMSO without any compound are added to positive control and negative control samples.
13422	1	TBD	TBD
13423	1	CMV and HSV Polymerase Biochemical Assay	DNA polymerase activity was measured using a molecular beacon-based assay, as described in Ma et. al. 100 pM CMV polymerase or 625 pM HSV polymerase was added to a buffer containing 20 mM Tris, pH=7.5, 100 mM NaCl, 10 mM MgCl2, 0.01% Tween-20, 0.5 mM EDTA, 10% Sucrose and 1 mM DTT. The inhibitor was pre-incubated with the polymerase for 30 minutes at room temperature. Reactions were initiated by the addition of a mixture containing 1.25 uM dATP, 1.25 uM dCTP, 1.25UM dTTP, 1.25UM dGTP, 200 nM Primer B (5′-GAC GGG AAG-3′5′-GAC GGG AAG-3′) and 100 nM molecular beacon (5′-5,6-FAM-CCT CTC CGT GTC TTG TAC TTC CCG TCA GAG AGG-BHQ1-3′) (SEQ ID NO: 16). For human CMV polymerase the reactions were incubated for 60 minutes at room temperature. For HSV polymerase the reactions were incubated for 20 minutes at room temperature. The reactions were then read on a Perkin-Elmer EnVision 2101 reader (fluorescence) using an excitation of 480 nm and emission of 535 nm. IC50s were determined using an internal Novartis software (Helios).
13424	1	Biochemical Evaluation	Table 1 and 2: The compounds were biochemically evaluated against a panel consisting of all enzymatically active DASH enzymes (DPP4, DPP8, DPP9, DPP2, FAP) and PREP. Potencies of the 2-cyanopyrrolidine-based compounds (5a-o) are shown in Table 1. The unsubstituted cyanopyrrolidine subset 5a-c comprises the closest analogues of vildagliptin that were synthesized. Compared to parent compound vildagliptin/4, the affinities of 5a-c are typically slightly increased across the full evaluation panel. Because of its generality, this trend can tentatively be attributed to the increased lipophilicity of the ether derivatives, compared to vildagliptin. This also indicates that the benzyl or butyl groups in these molecules are tolerated, but do not provide additional specific affinity-conferring interactions with the enzymes.
13424	2	Biochemical Evaluation	Table 3 and 4: IC50 measurements. Enzyme activities were determined kinetically in 96-well half area plates (Greiner Bio-One) in a final volume of 100 μL for at least 15 min. at 37° C. by measuring the initial velocities of pNA release (405 nm) or AMC release (λex=380 nm, λem=465 nm) from the substrate using an Infinite™ M200 reader (Tecan Benelux). The Magellan software was used to process the data, which was then fitted using a non-linear fit model in GraFit 7. The chromogenic substrate Ala-Pro-paranitroanilide (pNA) (Bachem) was used for DPP4 (25 μM), DPP8 (300 μM) and DPP9 (150 μM) at pH 7.4 (0.05 M HEPES-NaOH buffer with 0.10/Tween-20, 0.1 mg/mL BSA and 150 mM NaCl) and Lys-Ala-pNA (Bachem) was used for DPP2 (1 mM) at pH 5.5 (100 mM NaAc, 10 mM EDTA, 14 μg/mL aprotinin). The fluorogenic substrate Z-Gly-Pro-7-amino-4-methylcoumarine (AMC) (Bachem) was used for FAP (50 μM) at pH 8 (0.05 M Tris-HCl buffer with 1 mg/mL BSA and 140 mM NaCl) and N-succinyl-Gly-Pro-AMC (Bachem) was used for PREP (250 μM) at pH 7.4 (0.1 M K-phosphate, 1 mM EDTA, 1 mM DTT and 1 mg/mL BSA). As a blank, the assay buffer was used instead of the enzyme. Screening measurements were carried out in duplo and IC50 values were determined in triplo with at least eight different inhibitor concentrations as described by Van Goethem et al.None of the compounds inhibited the other DASH proteins DPP4, fibroblast activation protein (FAP), and prolyl oligopeptidase (PREP) at concentrations of 10 mM, and DPP2 at concentrations of 5 μM.
13425	1	CDK Enzymatic Assay	Enzyme was pre-incubated with compounds for 30 minutes (CDK1,2,4,6,9) or 60 minutes (CDK7, CDK12, CDK13) prior to addition of ATP and Ulight-peptide (1 mM and 50 nM final, respectively), in assay buffer containing 50 mM HEPES pH 7.5, 1 mM EGTA, 10 mM MgCl2, 2 mM DTT, 0.05 mg/mL BSA, and 0.01% Tween 20. The reaction was then incubated for 60-90 minutes at room temperature. The reactions were stopped by the addition of EDTA and Europium labeled antibody, for a final concentration of 15 mM and 1.0-1.5 nM, respectively. HTRF signals were read after 15-120 minutes. A ratio of fluorescence transferred to the labeled substrate (665 nm) relative to fluorescence of the Europium donor (620 nm) represents the extent of phosphorylation. Ratios for treated wells were normalized to DMSO only (100% activity) and no enzyme (0% activity) controls.
13426	1	PIKfyve Biochemical Assay	The biochemical PIKFyve inhibition assays were run by Carna Biosciences according to proprietary methodology based on the Promega ΔDP-Glo™ Kinase assay. A full-length human PIKFYVE [1-2098(end) amino acids and S696N, L932S, Q995L, T998S, S1033A and Q1183K of the protein having the sequence set forth in NCBI Reference Sequence No. NP_055855.2] was expressed as N-terminal GST-fusion protein (265 kDa) using baculovirus expression system. GST-PIKFYVE was purified by using glutathione sepharose chromatography and used in an ADP-Glo™ Kinase assay (Promega). Reactions were set up by adding the test compound solution, substrate solution, ATP solution and kinase solution, each at 4× final concentrations. Reactions were prepared with assay buffer (50 mM MOPS, 1 mM DTT, pH7.2), mixed, and incubated in black 384 well polystyrene plates for 1 hour at room temperature. ADP-GloTM reagent was then added for 40 minutes, followed by kinase detection reagent for an additional 40 minutes. The kinase activity was evaluated by detecting relative light units on a luminescence plate reader. Samples were run in duplicate from 10 μM to 3 nM. Data was analyzed by setting the control wells (+PIKfyve, no compound) to 0% inhibition and the readout value of background (no PIKfyve) set to 100% inhibition, then the % inhibition of each test solution calculated. IC50 values were calculated from concentration vs % inhibition curves by fitting to a four-parameter logistic curve.
13427	1	ZIKV Protease Inhibition Assay	The enzyme inhibition assay was performed in 384-well flat bottom black polystyrene microplates (cat. N. 781900, Greiner,) in a reaction volume of 20 μl. ZIKV NS2B-G4SG4-NS3 serine protease (MGSSHHHHHHSSGLVPRGSHMVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDF SLVEDDGPPMAGGGGSGGGGSGALWDVPAPKEVKKGETTDGVYRVMTRGLLGSTQV GVGVMQEGVFHTMWHVTKGSALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWD GHSEVQLLAVPPGERARNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLY GNGVVIKNGSYVSAITQGRR; SEQ. ID. No. 1) (1.25 nM) was incubated with increasing inhibitor concentrations (0.097-100 μM or 0.0009-1 μM for the most active compounds) in assay buffer (50 mM Tris-HCl, pH 8.5, 1% glycerol, 1 mM CHAPS, 1% DMSO) for 10 minutes at 25° C. 10 μM of Bz-Nle-KRR-AMC substrate (cat. N. 4055312, Bachem) was added and the reaction mixture incubated for additional 30 minutes at 25° C. Product formation was evaluated by fluorescence measurement (excitation 360 nm, emission 465 nM), using a SPARK TM10 Tecan instrument. Results were analysed using Prism (GraphPad, San Diego, CA) and Vortex software (Dotmatics, Bioshops Stortford, UK). Dose-response curves were fitted by four-parameter logistic regression
13427	2	WNV Protease Inhibition Assay	The enzyme inhibition assay was performed in 384-well flat bottom black polystyrene microplates (cat. N. 781900, Greiner,) in a reaction volume of 20 μl. West Nile Virus (WNV) NS2B-NS3 protease (R&D, cat. N. 2907-SE-020) (2 nM) was incubated with increasing inhibitor concentrations (0.097-100 μM or 0.0009-1 μM for the most active compounds) in assay buffer (50 mM Tris-HCl, pH 9.0, 30% glycerol, 1% DMSO) for 10 minutes at 25° C. 10 μM of pERTKR-AMC substrate (R&D, cat. N. ES013) was added and the reaction mixture incubated for additional 30 minutes at 25° C. Product formation was evaluated by fluorescence measurement (excitation 360 nm, emission 465 nM), using a SPARK TM10 Tecan instrument. Results were analyzed using Prism (GraphPad, San Diego, CA) and Vortex software (Dotmatics, Bioshops Stortford, UK). Dose-response curves were fitted by four-parameter logistic regression.
13427	3	JEV Protease Inhibition Assay	The enzyme inhibition assay was performed in 384-well flat bottom black polystyrene microplates (cat. N. 781900, Greiner,) in a reaction volume of 20 μl. Japanese encephalitis virus (JEV)-NS2B-NS3 protease (600 nM) was incubated with increasing inhibitor concentrations (0.097-100 M or 0.009-1 μM for the most active compounds) in assay buffer (50 mM Tris-HCl, pH 9.0, 0.1% BSA, 0.1% Triton X-100, 1% DMSO) for 10 minutes at 25° C. 10 μM of Pyr-RTKR-AMC substrate (Bachem, cat. N.4018149) was added and the reaction mixture incubated for additional 120 minutes at 25° C. Product formation was evaluated by fluorescence measurement (excitation 360 nm, emission 465 nM), using a SPARK TM10 Tecan instrument. Results were analyzed using Prism (GraphPad, San Diego, CA) and Vortex software (Dotmatics, Bioshops Stortford, UK). Dose-response curves were fitted by four-parameter logistic regression.
13427	4	DEN2V Protease Inhibition Assay	The enzyme inhibition assay was performed in 384-well flat bottom black polystyrene microplates (cat. N. 781900, Greiner,) in a reaction volume of 20 μl. DEN2V NS2B-G4SG4-NS3 serine protease (MGSSHI-HHIHHHSSGLVPRGSHMADLELERAADVRWEEQAEISGSSPILSITISED GSMSIKNEEEEQTLGGGGSGGGGAGVLWDVPSPPPVGKAELEDGAYRIKQKGILGYSQI GAGVYKEGTFHTMWHVTRGAVLMHKGKRIEPSWADVKKDLISYGGGWKLEGEWKE GEEVQVLALEPGKNPRAVQTKPGLFKTNTGTIGAVSLDFSPGTSGSPIVDKKGKVVGLY GNGVVTRSGAYVSAIAQTEKSIEDNPEIEDDIFRK; SEQ ID No 2) (10 nM) was incubated with increasing inhibitor concentrations (0.097-100 μM or 0.0009-1 μM for the most active compounds) in assay buffer (50 mM Tris-HCl, pH 8.5, 1% glycerol, 1 mM CHAPS, 1% DMSO) for 10 minutes at 25° C. 15 μM of Bz-Nle-KRR-AMC substrate (cat. N. 4055312, Bachem) was added and the reaction mixture incubated for additional 30 minutes at 25° C. Product formation was evaluated by fluorescence measurement (excitation 360 nm, emission 465 nM), using a SPARK TM10 Tecan instrument. Results were analyzed using Prism (GraphPad, San Diego, CA) and Vortex software (Dotmatics, Bioshops Stortford, UK). Dose-response curves were fitted by four-parameter logistic regression.
13428	1	CSF1R Enzymatic Inhibitory Assay	The compounds were supplied in a 10 mM DMSO solution, and enzymatic CSF1R inhibition potency was determined by Invitrogen (TermoFisher) using their Z′-LYTE® assay technology[2]. The assay is based on fluorescence resonance energy transfer (FRET). In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognizes and cleaves non-phosphorylated FRET-peptides. Thus, phosphorylation of FRET-peptides suppresses cleavage by the development reagent. Cleavage disrupts FRET between the donor (i.e. coumarin) and acceptor (i.e., fluorescein) fluorophores on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET. A ratiometric method, which calculates the ratio (the emission ratio) of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, is used to quantitate inhibition. All compounds were first tested for their inhibitory activity at 500 nM in duplicates. The potency observed at 500 nM was used to set starting point of the IC50 titration curve, in which three levels were used 1000 or 10000 nM. The IC50 values reported are based on the average of at least 2 titration curves (minimum 20 data points), and were calculated from activity data with a four parameter logistic model using SigmaPlot (Windows Version 12.0 from Systat Software, Inc.) Unless stated otherwise the ATP concentration used was equal to Km (ca 10 mM).
13429	1	CSF1R Enzymatic Inhibitory Assay	The compounds were supplied in a 10 mM DMSO solution, and enzymatic CSF1R inhibition potency was determined by Invitrogen (TermoFisher) using their Z′-LYTE® assay technology (B. A. Pollok, B. D. Hamman, S. M. Rodems, L. R. Makings, Optical probes and assays, WO 2000066766 A1, 5-5-2000.). The assay is based on fluorescence resonance energy transfer (FRET). In the primary reaction, the kinase transfers the gamma-phosphate of ATP to a single tyrosine residue in a synthetic FRET-peptide. In the secondary reaction, a site-specific protease recognizes and cleaves non-phosphorylated FRET-peptides. Thus, phosphorylation of FRET-peptides suppresses cleavage by the development reagent. Cleavage disrupts FRET between the donor (i.e.,coumarin) and acceptor (i.e., fluorescein) fluorophores on the FRET-peptide, whereas uncleaved, phosphorylated FRET-peptides maintain FRET. A ratiometric method, which calculates the ratio (the emission ratio) of donor emission to acceptor emission after excitation of the donor fluorophore at 400 nm, is used to quantitate inhibition. All compounds were first tested for their inhibitory activity at 500 nM in duplicates. The potency observed at 500 nM was used to set starting point of the IC50 titration curve, in which three levels were used 1000 or 10000 nM. The IC50 values reported are based on the average of at least 2 titration curves (minimum 20 data points), and were calculated from activity data with a four parameter logistic model using SigmaPlot (Windows Version 12.0 from Systat Software, Inc.) Unless stated otherwise the ATP concentration used was equal to Km (ca 10 mM). The average standard deviation for single point measurements were <4%.
13430	1	Biochemical DGK IC50 Assay	Enzymatic reactions of DGKζ, DGKα and DGKδ were performed using ADP-Glo assay with lipid micelle substrate. Full length DGKζ in-house protein M1-V929 with SEQ ID No: 2) was expressed in baculovirus expression system. Full length DGKα (D21-10BG, SignalChem) and full length DGKδ (D23-10G, SignalChem) were purchased. Lipid micelle was prepared by dissolving DAG (Sigma, 317505-10MG) and PS (Sigma, P7769-100MG) with chloroform which was furtherly removed by rotary evaporation. The resulted product was resuspended in buffer containing 25 mM HEPES pH 7.0, 0.5 mM EDTA and 160 mM Octyl β-D glucopyranoside by vigorous mixing and ultrasonic (IID, Scientz).Final concentration in reaction Enzyme Enzyme (nM) ATP (μM) DAG (μM)DGKα 7.5 140 80DGKδ 10 140 80DGKζ 0.5 140 80The inhibition activities testing for the compound disclosed herein were carried out at room temperature in assay buffer containing 50 mM HEPES, 10 mM MgCl2, 0.01% BSA, 0.1 mM Na3VO4, 0.005% Tween-20 and 0.01 mM CaCl2. Compounds in DMSO were dispensed into wells of a black 384 well plate (Corning 4514) using D300e digital dispenser (Tecan). The ranges of compounds final concentration were 1.55-10000 nM or 23.3-150000 nM. 3 μL 2× enzyme solution was added to wells. After incubation for 1 hour, 3 μL 2× substates solution containing 160 μM DAG and 280 μM ATP was added to the wells to initiate reaction. After 1 hour reaction, 5 μL ADP-Glo reagent (Promga V9101) was added and incubated for 40 minutes. 10 μL Kinase Detection reagent was added and incubated for 30 minutes. Luminescence was measured on a microplate reader (PHERAstar FSX, BMG labtech). The IC50s are calculated based on inhibition of enzyme activity in the presence of increasing concentrations of compounds. Selected compounds had no inhibitory activity on DGKδ.
13431	1	Biochemical Evaluation of MBP-Ndh Inhibition	To define the activity of compounds on purified MBP-Ndh, a biochemical assay was setup to monitor MBP-Ndh dependent oxidation of NADH in the presence of an electron acceptor menadione, similar to methods described previously (Murugesan, D. et al. 2-Mercapto-Quinazolinones as Inhibitors of Type II NADH Dehydrogenase and Mycobacterium tuberculosis: Structure-Activity Relationships, Mechanism of Action and Absorption, Distribution, Metabolism, and Excretion Characterization. ACS Infect. Dis. 4, (2018)). Briefly, to evaluate the IC50 of the compounds, the compounds were transferred to a black 384-well plate with transparent bottom using Echo liquid handling acoustic technology (Labcyte) and backfilled to 500 nL with DMSO. Using a Viafill liquid dispenser (INTEGRA Biosciences) a 45 μL mixture was added to these wells containing a Mtb recombinant MBP tagged Ndh-2 enzyme (either 70 nM recombinant MBP-Ndh produced in E. coli-; 0.66 nM recombinant MBP-Ndh produced in M. smegmatis, or 30 nM recombinant MBP-NdhA produced in M. smegmatis, concentration adjusted to have similar rate of NADH oxidation) and NADH (500 μM) in 50 mM HEPES buffer (pH 7.1 with K2HPO4). Following a pre-incubated (25° C., 15 min), enzyme activity was initiated by the addition of menadione (5 μL, 100 μM final concentration (dispensed into wells using ENVISION, Perkin Elmer), and the kinetics of NADH oxidation monitoring at 340 nm (measured every 60 sec, ENVISION plate reader, Perkin Elmer). The rate of NADH oxidation was calculated as the slope of the linear decrease in 340 nm signal using Microsoft Excel, and enzyme inhibition parameters determined using Graphpad Prism v. 9. IC50 are reported as mean and standard deviation of at least 3 independent experiments.
13432	1	Biochemical Assays for Inhibition of Wild-Type and Mutant EGFRs	Table 1: The inhibitory activities against EGFR WT, EGFR (D770_N771insNPG), EGFR Δ746-750 mutant, EGFR Δ746-750/C797S mutant, EGFR L858R mutant, EGFR L858R/T790M mutant, EGFR L858R/T790M/C797S mutant and ALK were evaluated at Reaction Biology Corporation (See, www.reactionbiology.com) using HotSpot assay platform, a radiometric assay based on conventional filter-binding assays, that directly measures kinase catalytic activity toward a specific substrate (Anastassiadis T, et al. Comprehensive Assay of Kinase Catalytic Activity Reveals Features of Kinase Inhibitor Selectivity. Nat Biotechnol. 2011, 29:1039-45). Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer; 20 mM Hepes pH 7.5, 10 mM MgClh, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO. Compounds were delivered into the reaction, followed -20 minutes later by addition of a mixture of ATP (Sigma, St. Louis MO) and 33P ATP (Perkin Elmer, Waltham MA) to a final concentration of 10 μM. Reactions were carried out at room temperature for 120 min, followed by spotting of the reactions onto P81 ion exchange filter paper (Whatman Inc., Piscataway, NJ). Unbound phosphate was removed by extensive washing of filters in 0.75% phosphoric acid. After subtraction of background derived from control reactions containing inactive enzyme, kinase activity data was expressed as the percent remaining kinase activity in test samples compared to vehicle (dimethyl sulfoxide) reactions. IC50 values and curve fits were obtained using Prism (GraphPad Software).
13432	3	No assay	TBA
13432	2	Inhibition of CLK, CLK2, CLK3 and CLK4 Kinase Activity Evaluated at Nanosyn	Table 3: Kinase protein and substrate were pre-diluted in the HEPES assay buffer (100 mM HEPES, pH 7.5, 0.01% Triton X-100, 0.1% BSA, 5 mM MgCl2, 1 mi DTT, 10 Sodium Orthovanadate, 10 M Beta-Glycerophosphate) dispensed into 384 well plate (5 μL per well). Control samples (0%-inhibition in the absence of inhibitor, DMSO only) and 100%-inhibition (in the absence of enzyme) were assembled in replicates of six and were used to calculate %-inhibition in the presence of compounds. Test compounds were added to the protein samples by acoustic dispensing (Labcyte Echo550). Concentration of DMSO was equalized to 1% in all samples. Reactions were initiated by addition of ATP by acoustic dispensing (Labcyte Echo550) and incubated according to assay specific incubation time. After incubation. 5 μL of Promega ADP-Glo reagent was added and incubated for 40 minutes. After 40 minutes, 10 uL of Promega kinase detection reagent was added. After 10 min of incubation with Kinase detection reagent, the luminescence was read on microplate reader (Biotek Synergy).
13433	1	hGR CoActivator Recruitment Assay	The activity of glucocorticoid compounds was measured using the LanthaScreen TR-Fret GR Coactivator Assay from Life Technologies (A15899). The compounds were acoustically transferred to an assay plate in a 3-fold 10-point serial dilution with a top concentration of 200 nM. Ten microliters of a 2× solution of GR-LBD was added to the compound plate and incubated for 10 min. Then ten microliters of a 2× solution of Fluoresein-SRC1-4 and Tb labelled anti-GST antibody were added to the plate. The plate was incubated in the dark for two hours and then read on an Envision plate reader, with excitation at 340 nm and emission at 520 nm (Fluorescein) and 490 nm (Terbium). The emission ratio of 520/490 was analyzed in Genedata. To obtain percent activity, the data was compared to a negative control of DMSO and positive control of 4 uM dexamethasone.
50000002	1	ChEBML_71584	The binding affinity towards Gonadotropin-releasing hormone receptor
50020250	7	ChEMBL_436395 (CHEMBL904703)	Inhibition of NECA-induced IL6 production in human fibroblast after 24 hrs by ELISA
50034047	8	ChEMBL_775981 (CHEMBL1912979)	Displacement of [3H]E2 from estrogen receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting
50007445	7	ChEMBL_70137 (CHEMBL680249)	Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidney cells
50007445	3	ChEMBL_71798 (CHEMBL684983)	Inhibition of rat Geranylgeranyl transferase (GGPT)
50007445	2	ChEMBL_70439 (CHEMBL681296)	In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene
50044064	1	ChEMBL_1333129 (CHEMBL3232284)	Competitive inhibition of Lactobacillus casei thymidylate synthetase using 2'-deoxy[5-3H]uridine-5'-phosphate as substrate assessed as release of water after 15 mins by double reciprocal plot analysis
50044064	2	ChEMBL_1333130 (CHEMBL3232285)	Competitive inhibition of Lactobacillus casei thymidylate synthetase using dTMP as substrate assessed as release of water after 15 mins by double reciprocal plot analysis
50044065	1	ChEMBL_1333289 (CHEMBL3231108)	Reversible competitive inhibition of dichloromethotrexate-resistant Lactobacillus casei thymidylate synthase using 5-mercapto-2'-deoxyuridylate as substrate by Dixon plot method
50044065	2	ChEMBL_1333290 (CHEMBL3231109)	Inhibition of dichloromethotrexate-resistant Lactobacillus casei thymidylate synthase by Dixon plot method
50041178	1	ChEMBL_21101 (CHEMBL633695)	Component deacylation rate constant for interaction with human leukocyte elastase
50044066	1	ChEMBL_1333437 (CHEMBL3231540)	Inhibition of dihydrofolate reductase (unknown origin) using dihydrofolic acid as substrate by spectrophotometry
50044067	1	ChEMBL_1334097 (CHEMBL3232507)	Inhibition of Escherichia coli DNA-dependent RNA polymerase
50044068	1	ChEMBL_1332885 (CHEMBL3231508)	Binding affinity to alpha-adrenergic receptor (unknown origin) in central nervous system
50044069	1	ChEMBL_1332894 (CHEMBL3231610)	Inhibition of Lactobacillus casei thymidylate synthetase using dUMP as substrate preincubated for 20 mins followed by substrate addition
50044070	1	ChEMBL_1333664 (CHEMBL3231050)	Inhibition of ICR Swiss mouse liver dopa decarboxylase after 15 mins
50044071	1	ChEMBL_1333667 (CHEMBL3231053)	Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C]adenosylmethionine
50044071	2	ChEMBL_1333668 (CHEMBL3231054)	Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C]adenosylmethionine
50000006	1	ChEBML_205879	In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound.
50000006	2	ChEMBL_205879 (CHEMBL813940)	In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound.
50036087	2	ChEBML_29305	Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA
50000009	1	ChEBML_226551	Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes
50000009	3	ChEBML_62074	Ability to displace [3H]sulpiride from dopamine receptor D2 in rat brain
50000012	2	ChEBML_140855	Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-D-aspartate glutamate receptor 1 of rat spinal cord membranes.
50000012	1	ChEMBL_140855 (CHEMBL857545)	Inhibitory concentration of the compound required to inhibit [3H]-strychnine binding to N-methyl-D-aspartate glutamate receptor 1 of rat spinal cord membranes.
50000015	1	ChEMBL_195108 (CHEMBL795004)	Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding
50000015	2	ChEBML_195384	Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding
50000015	3	ChEMBL_195385 (CHEMBL806874)	Inhibitory concentration of the compound against HSV-1 ribonucleotide reductase R1 protein binding; Range 30-60
50000017	1	ChEBML_76079	In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis
50000018	5	ChEMBL_220946 (CHEMBL824621)	Opioid receptor kappa agonist potency was determined in vitro using rabbit vas deferens(LVD) preparation
50000018	1	ChEMBL_92558 (CHEMBL700236)	Opioid receptor kappa agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation
50000018	4	ChEBML_145682	Kappa-opioid receptor agonist potency in vitro using rabbit vas deferens(LVD) preparation
50000018	2	ChEMBL_145685 (CHEMBL753311)	Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation
50000018	3	ChEMBL_145682 (CHEMBL754278)	Kappa-opioid receptor agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation
50000021	6	ChEMBL_209923 (CHEMBL813714)	Compound was evaluated for the inhibition of human blood platelet,thromboxane A2 synthase
50000021	4	ChEMBL_209922 (CHEMBL813713)	Compound was evaluated for the inhibition of human blood platelet thromboxane A2 synthase
50000021	7	ChEBML_209922	Compound was evaluated for the inhibition of human blood platelet thromboxane A2 synthase
50000023	2	ChEBML_53192	In vitro ability to displace the specific binding of [3H]diltiazem to diltiazem receptor in guinea pig skeletal muscle.
50000844	2	ChEBML_1696269	Inhibition of p53 binding to MDMX (unknown origin) after 30 mins by SPR analysis
50000023	3	ChEMBL_53192 (CHEMBL666571)	In vitro ability to displace the specific binding of [3H]diltiazem to diltiazem receptor in guinea pig skeletal muscle.
50000025	1	ChEBML_157453	Inhibition of prolyl 4-hydroxylase activity by an indirect assay
50000025	2	ChEMBL_157454 (CHEMBL765594)	Compound was evaluated for inhibition of Prolyl 4-hydroxylase activity in cultured embryonic chick tendon cells
50000035	1	ChEMBL_146545 (CHEMBL754964)	Compound was tested for its binding affinity against opioid receptor mu using [3H]DAGO as radioligand.
50000035	3	ChEBML_217857	Compound was tested for its binding affinity against opioid receptor delta using [3H]DPDPE as radioligand.
50000035	2	ChEBML_149011	Inhibition of [3H]DAGO binding to rat Opioid receptor mu 1
50000035	4	ChEMBL_217857 (CHEMBL822180)	Compound was tested for its binding affinity against opioid receptor delta using [3H]DPDPE as radioligand.
50000036	2	ChEMBL_4196 (CHEMBL619998)	Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.
50000036	3	ChEBML_98491	The compound was tested for its inhibitory activity against LTB4 in human PMN
50000036	1	ChEBML_4196	Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenase.
50037096	1	ChEMBL_158026 (CHEMBL768619)	Association rate constant for the interaction between inhibitor and HIV-1 protease
50000041	6	ChEBML_146728	Binding affinity towards Opioid receptor delta 1
50000041	3	ChEMBL_145994 (CHEMBL750588)	Binding affinity towards opioid receptor kappa 2
50000041	1	ChEMBL_146696 (CHEMBL753773)	Binding affinity towards opioid receptor mu 1
50000041	5	ChEBML_146511	Binding affinity towards opioid receptor kappa 1
50000041	7	ChEMBL_146728 (CHEMBL753266)	Binding affinity towards Opioid receptor delta 1
50000041	2	ChEBML_149460	Binding affinity towards opioid receptor mu 2
50000041	8	ChEMBL_149460 (CHEMBL758211)	Binding affinity towards opioid receptor mu 2
50000041	9	ChEMBL_146511 (CHEMBL754620)	Binding affinity towards opioid receptor kappa 1
50000041	4	ChEBML_145993	Binding affinity towards Opioid receptor kappa 2
50000042	5	ChEMBL_201751 (CHEMBL809885)	Potency at the sigma binding site was determined in radioligand
50000042	1	ChEBML_62093	Affinity towards dopamine receptor D2 was determined by competition studies using [3H]sulpiride in rat striatum.
50000042	4	ChEMBL_62093 (CHEMBL674973)	Affinity towards dopamine receptor D2 was determined by competition studies using [3H]sulpiride in rat striatum.
50000042	6	ChEMBL_201750 (CHEMBL809884)	Potency at the sigma binding site was determined in radioligand
50000042	3	ChEBML_201751	Potency at the sigma binding site was determined in radioligand
50000042	2	ChEMBL_62092 (CHEMBL674972)	Affinity towards dopamine D2 site was determined by competition studies using [3H]sulpiride in rat striatum.
50036117	3	ChEMBL_147166 (CHEMBL753856)	Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenates
50036117	9	ChEMBL_146445 (CHEMBL756427)	Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates
50036117	2	ChEBML_147166	Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenates
50044072	1	ChEMBL_1333836 (CHEMBL3231654)	Antagonist activity at histamine H2 receptor in Charles River rat assessed as inhibition of histamine-mediated electrically stimulated uterine contraction
50000048	1	ChEBML_76253	Inhibition of rat isolated gastric (H(+)/K(+))-ATPase.
50000048	2	ChEMBL_76252 (CHEMBL690662)	The compound was evaluated for the inhibition of gastric H+/K+ ATPase
50000055	1	ChEBML_155155	In vitro intrinsic binding affinity at platelet activating factor receptor using rabbit platelet membranes
50000058	2	ChEBML_42602	Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane preparation.
50000058	5	ChEMBL_42600 (CHEMBL655828)	Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane
50000058	3	ChEBML_42601	Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane preparation
50000058	4	ChEMBL_42601 (CHEMBL655829)	Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane preparation
50000058	6	ChEMBL_42602 (CHEMBL654167)	Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane preparation.
50044073	1	ChEMBL_1334174 (CHEMBL3231061)	Competitive inhibition of thymidylate synthetase (unknown origin) in presence of 5,10-methylenetetrahydrofolate
50044073	2	ChEMBL_1334177 (CHEMBL3231064)	Binding affinity to thymidylate synthetase (unknown origin)
50044074	1	ChEMBL_1333876 (CHEMBL3231765)	Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot analysis
50020845	1	ChEMBL_459174 (CHEMBL926333)	Inhibition of PIM1 kinase
50041256	6	ChEMBL_33595 (CHEMBL652804)	In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor
50014076	1	ChEBML_143470	Inhibitory activity against hepatitis C virus NS3 protease
50014076	3	ChEMBL_143470 (CHEMBL751810)	Inhibitory activity against hepatitis C virus NS3 protease
50014076	4	ChEMBL_143469 (CHEMBL750355)	Inhibitory activity against hepatitis C virus NS3 protease
50014071	2	ChEBML_163993	Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B
50014071	1	ChEBML_196372	Inhibitory activity against HIV-1 reverse transcriptase was determined
50034691	1	ChEBML_62880	In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand
50014072	1	ChEBML_84985	Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase
50014072	2	ChEMBL_84986 (CHEMBL695720)	Binding affinity for human papillomavirus (HPV6) E1 helicase
50003388	1	ChEMBL_2263443	Binding affinity to recombinant human NNMT SAM binding site expressed in Escherichia coli BL21 (DE3) using nicotinamide as substrate and AdoMet as cofactor preincubated for 10 mins followed by substrate addition and measured after 10 mins by UHP-HILIC-MS analysis
50003388	2	ChEMBL_2263445	Inhibition of recombinant human NNMT (1 to 270 residues) expressed in Escherichia coli BL21 (DE3) and measured upto 60 mins by fluorescence polarization assay
50003388	3	ChEMBL_2263446	Inhibition of human NNMT preincubated for 30 mins followed by substrate, cofactor addition and measured after 60 mins using nicotinamide as substrate and SAM as cofactor by fluorescence enzymatic assay
50003388	4	ChEMBL_2263448	Inhibition of mouse NNMT preincubated for 30 mins followed by substrate, cofactor addition and measured after 60 mins using nicotinamide as substrate and SAM as cofactor by fluorescence enzymatic assay
50003388	5	ChEMBL_2263450	Inhibition of endogenous human NNMT overexpressed in human U2OS cells assessed incubated for 24 hrs by LC-MS/MS analysis
50003388	6	ChEMBL_2263451	Inhibition of endogenous mouse NNMT overexpressed in murine 3T3-L1 cells assessed incubated for 24 hrs by LC-MS/MS analysis
50003388	7	ChEMBL_2263453	Inhibition of recombinant human NNMT assessed as formation of MNA using nicotinamide and AdoMet as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by UHP-HILIC-MS analysis
50003388	8	ChEMBL_2263454	Inhibition of NNMT (unknown origin) assessed as formation of MNA using nicotinamide as substrate and SAM as cofactor by fluorescence based assay
50003388	9	ChEMBL_2263456	Inhibition of full-length human wild-type NNMT assessed as formation of MNA at 0.5 uM using nicotinamide as substrate and SAM as cofactor preincubated for 10 mins followed by substrate addition and measured after 40 mins by by HILIC-MS analysis
50003593	1	ChEMBL_2263457	Inhibition of PKM2 (unknown origin)
50000067	1	ChEMBL_146759 (CHEMBL753487)	Compound was evaluated for the binding affinity in comparison with [3H][p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)
50000067	11	ChEMBL_146430 (CHEMBL757182)	Compound was evaluated for its inhibitory potency against opioid receptor delta of Guinea pig ileum
50000067	3	ChEMBL_146758 (CHEMBL753486)	Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (delta opioid receptor selective ligand)
50000067	14	ChEMBL_148553 (CHEMBL755355)	Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)
50000067	4	ChEBML_145772	Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens
50000067	8	ChEMBL_146452 (CHEMBL758727)	Compound was evaluated for its inhibitory potency against opioid receptor delta of Mouse vas deferens
50000067	2	ChEBML_146421	Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)
50000067	10	ChEBML_146874	Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum
50000067	15	ChEMBL_146583 (CHEMBL754817)	Compound was evaluated for the binding affinity in comparison with [3H][p-Cl-Phe4]-DPDPE (opioid receptor delta selective ligand)
50000067	13	ChEMBL_146582 (CHEMBL754816)	Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)
50000067	7	ChEMBL_145772 (CHEMBL753428)	Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens
50000067	9	ChEMBL_146875 (CHEMBL750002)	Compound was evaluated for its inhibitory potency against delta opioid receptors of Guinea pig ileum
50000067	6	ChEMBL_145773 (CHEMBL753429)	Compound was evaluated for its inhibitory potency against delta opioid receptors of Mouse vas deferens
50000067	12	ChEBML_146759	Compound was evaluated for the binding affinity in comparison with [3H][p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)
50000067	5	ChEMBL_146755 (CHEMBL753335)	Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens
50000067	16	ChEMBL_146421 (CHEMBL757173)	Compound was evaluated for its ability to displace [3H]- CTOP (opioid receptor mu selective ligand)
50003593	2	ChEMBL_2263461	Inhibition of PKM1 (unknown origin)
50003593	3	ChEMBL_2263462	Inhibition of PKL (unknown origin)
50003593	4	ChEMBL_2263463	Binding affinity to PKM1 (unknown origin)
50003593	5	ChEMBL_2263464	Binding affinity to PKM2 (unknown origin)
50003593	6	ChEMBL_2263465	Binding affinity to PKL (unknown origin)
50003593	7	ChEMBL_2263475	Activation of PKM2 (unknown origin) in presence of sorafenib
50003716	1	ChEMBL_2263477	Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using [3H]1,3-diphenyl-trans-propene oxide as substrate assessed as inhibition constant incubated for 5 mins
50003716	2	ChEMBL_2263478	Antagonist activity at human P2Y1 receptor assessed as inhibition constant
50003716	3	ChEMBL_2263480	Displacement of 125I-PYY from human neuropeptide Y Y1 receptor expressed in human SK-N-MC cell membrane assessed as inhibition constant incubated for 1 hrs by competitive binding assay
50003716	4	ChEMBL_2263482	Antagonist activity at CXCR1 (unknown origin)
50003716	5	ChEMBL_2263483	Antagonist activity at CXCR2 (unknown origin)
50004223	1	ChEMBL_2263489	Inhibition of SARS-CoV-2 Main protease (3264 to 3569 residues) expressed in Escherichia coli BL21-Gold (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assay
50004223	2	ChEMBL_2263490	Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured every 30 sec for 10 mins by FRET assay
50004223	3	ChEMBL_2263494	Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence based assay
50004223	4	ChEMBL_2263495	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs
50004223	5	ChEMBL_2263496	Inhibition of N-terminal 6His-tagged SARS-CoV-2 3CL protease (3259 to 3569 residues) expressed in Escherichia coli BL21 (DE3) using FRET-based UIVT3 as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins
50004309	1	ChEMBL_2263497	Mixed type inhibition of West Nile virus NSB2-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 15 mins by fluorescence based microtiter plate reader analysis
50004309	2	ChEMBL_2263498	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli BL21 (DE3) RILP codon plus competent cells using Benzoyl-NleKRR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50004309	3	ChEMBL_2263499	Inhibition of West Nile virus NS2B-NS3 protease using Pyr-RTKR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate analysis
50000071	3	ChEMBL_157457 (CHEMBL765597)	Compound was evaluated for the inhibition of prolyl 4-hydroxylase
50000071	1	ChEMBL_157460 (CHEMBL765600)	Compound was evaluated for the inhibition of prolyl 4-hydroxylase
50000071	4	ChEMBL_157458 (CHEMBL765598)	Compound was evaluated for the inhibition of prolyl 4-hydroxylase at 50 ug/mL
50000071	2	ChEBML_157461	Inhibitory activity against prolyl 4-hydroxylase
50000072	5	ChEBML_162869	Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)
50000072	2	ChEBML_155835	Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis
50000072	6	ChEMBL_89718 (CHEMBL696421)	Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)
50004309	4	ChEMBL_2263500	Inhibition of West Nile virus NS2B (52 to 96 residues)-NS3 (1 to 184 residues) protease using PhAc-Leu-LysLys-Arg-AMC3 TFA as substrate by fluorescence plate reader analysis
50000072	10	ChEMBL_155834 (CHEMBL768653)	Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (cAMP) hydrolysis
50004309	5	ChEMBL_2263501	Inhibition of factor Xa (unknown origin) using CH3OCO-dCha-Gly-Arg-pNA as substrate by fluorescence plate reader analysis
50004309	6	ChEMBL_2263502	Inhibition of thrombin (unknown origin) using CH3SO2-dCha-Gly-Arg-pNA as substrate by fluorescence plate reader analysis
50004309	7	ChEMBL_2263503	Inhibition of West Nile virus NS2B-NS3 protease using PhAc-Leu-LysLys-Arg-AMC as substrate measured for 10 mins by fluorescence plate reader analysis
50004309	8	ChEMBL_2263504	Inhibition of Zika virus NS2B-NS3 protease using PhAc-Leu-LysLys-Arg-AMC as substrate measured for 10 mins by fluorescence plate reader analysis
50004309	9	ChEMBL_2263506	Inhibition of West Nile virus NS2B (1393 to 1440 residues)-NS3 (1476 to 1687 residues) protease expressed in Escherichia coli BL21 (DE3) codon plus cells using Pyr-RTKR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 90 mins by fluorescence spectrophotometric analysis
50004309	10	ChEMBL_2263510	Inhibition of trypsin (unknown origin) using enzyloxy-carbonyl (Z)-Gly-Pro-Arg-para-nitroanilide as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50000072	11	ChEMBL_162869 (CHEMBL767230)	Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)
50004309	11	ChEMBL_2263511	Inhibition of factor Xa (unknown origin) using Boc-Ile-Glu-Gly-Arg-AMC as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50004309	12	ChEMBL_2263512	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Lys-Arg-Arg-AMC as substrate assessed as proteolytic activity by monochrometer-based spectrofluorometeric analysis
50004309	13	ChEMBL_2263515	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli using Phe-Ala-Ser-Gly-Lys-Arg-pNA assessed as proteolytic cleavage of the substrate by FRET-based assay
50004309	14	ChEMBL_2263516	Inhibition of West Nile virus NS2B-NS3 protease assessed as dissociation constant by NMR spectroscopic anlaysis
50004309	15	ChEMBL_2263517	Inhibition of West Nile virus NS2B-NS3 protease
50004309	16	ChEMBL_2263519	Inhibition of West Nile virus NS2B-NS3 protease using Boc-Gly-Lys-Arg-7-amino-4-methyl coumarin as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50004309	17	ChEMBL_2263520	Inhibition of recombinant West Nile virus NS2B-NS3 protease using pERTKR-AMC as substrate assessed as inhibition constant by fluorescence based assay
50004309	18	ChEMBL_2263526	Inhibition of West Nile virus NS2B (49 to 96 residues)-NS3 (2 to 184 residues) protease expressed in Escherichia coli BL21-rosetta cells using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and measured every 30 secs
50004309	19	ChEMBL_2263527	Inhibition of Zika virus NS2B (47 to 95 residues)-NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21-rosetta cells using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and measured every 30 secs
50004309	20	ChEMBL_2263529	Uncompetitive inhibition of recombinant West Nile virus NS2B-NS3 protease using Pyr-RTKR-AMC as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition
50004309	21	ChEMBL_2263530	Inhibition of recombinant West Nile virus NS2B-NS3 protease using Pyr-RTKR-AMC as substrate assessed as change in fluorescence intensity preincubated for 15 mins followed by substrate addition by fluorescence based microplate reader analysis
50004309	22	ChEMBL_2263531	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli BL21 (DE3) cells using Bz-Nle-K-K-R-AM as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50004309	23	ChEMBL_2263540	Inhibition of 6his tagged West Nile virus NS2B-NS3 protease expressed in Escherichia coli BL21 CodonPlus (DE3)-RIPL cells using Pyr-RTKR-AMC as substrate assessed as substrate cleavage preincubated for 30 mins followed by substrate addition by fluorescence spectrophotometric analysis
50004309	24	ChEMBL_2263543	Inhibition of furin (unknown origin) using Pyr-RTKR-AMC as substrate
50004319	1	ChEMBL_2263549	Inhibition of USP30 (unknown origin)
50004319	2	ChEMBL_2263555	Inhibition of NOX2 (unknown origin)
50004327	1	ChEMBL_2263557	Inhibition of alphaA (66 to 80 residues) crystallin peptide aggregation incubated for 7 days by fluorescence aggregation assay
50004407	1	ChEMBL_2263620	Inhibition of human COX-1 by spectrophotometer analysis
50004407	2	ChEMBL_2263622	Inhibition of human COX-2 by spectrophotometer analysis
50004544	1	ChEMBL_2263631	Inhibition of recombinant human PTPbeta using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs
50034692	2	ChEMBL_63367 (CHEMBL676103)	Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2)
50034692	3	ChEMBL_63366 (CHEMBL676102)	Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 1)
50034692	1	ChEBML_63367	Binding affinity towards Endothelin A receptor in A10 rat thoracic aorta smooth muscle cells using [125I]ET1 as radioligand (Exp 2)
50034694	1	ChEMBL_35567 (CHEMBL647515)	In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base
50034695	2	ChEMBL_79803 (CHEMBL696063)	Compound was evaluated for its inhibitory activity against HIV-1 protease
50034695	3	ChEMBL_79972 (CHEMBL690410)	Compound was evaluated for its binding affinity against HIV-1 protease
50034696	1	ChEBML_37138	Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase
50034696	2	ChEMBL_37137 (CHEMBL650371)	Compound was evaluated for its binding affinity towards Beta-galactosidase
50000072	7	ChEMBL_89719 (CHEMBL696422)	Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma PRP
50028872	3	ChEMBL_205951 (CHEMBL814769)	Binding potency against SP receptor (from ref. 1)
50028872	1	ChEMBL_205783 (CHEMBL810023)	Binding potency against SP receptor in bovine caudate using [3H]- as radioligand
50028873	2	ChEBML_139951	Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 receptors (m1-QNBm1c2)
50028873	3	ChEBML_140103	Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)
50034698	9	ChEBML_58170	Affinity of the Compound for Dopamine D1 receptor in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]SCH-23390 as ligand.
50034698	6	ChEMBL_58542 (CHEMBL667478)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine agonist [3H]N-propylnorapomorphine as ligand; Value ranges from (204-360)
50034698	7	ChEMBL_58540 (CHEMBL667476)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]spiperone as ligand; Value ranges from (580-1050)
50034698	2	ChEMBL_58539 (CHEMBL667475)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]spiperone as ligand; Value ranges from (270-500)
50034698	3	ChEMBL_58543 (CHEMBL667479)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine agonist [3H]N-propylnorapomorphine as ligand; Value ranges from (70-150)
50034698	4	ChEMBL_58538 (CHEMBL667474)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]-spiperone as ligand; Value ranges from (20-29)
50028879	2	ChEMBL_210744 (CHEMBL818320)	Inhibition of angiotensin I phosphorylation catalyzed by the protein-tyrosine kinase p56 lck partially purified from bovine thymus.
50028881	1	ChEBML_201938	Inhibitory activity was measured against partially purified pig liver Squalene epoxidase (SE).
50034700	3	ChEMBL_155142 (CHEMBL759832)	Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to human platelet
50034700	1	ChEMBL_155156 (CHEMBL760196)	Inhibitory concentration required to inhibit PAF binding to rabbit platelet membrane
50034700	5	ChEMBL_155141 (CHEMBL759831)	Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to PMN membrane receptors
50034700	2	ChEBML_155147	Inhibitory concentration required to inhibit PAF binding to rabbit platelet membrane
50034701	2	ChEMBL_196193 (CHEMBL803638)	Inhibitory constant was determined in an HIV-1 reverse transcriptase assay in which the [3H]dTTP concentration was varied (i.e. 40, 20, 10, 6, and 4 uM
50034702	2	ChEBML_28981	Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes
50028899	12	ChEMBL_218091 (CHEMBL822538)	Competitive Inhibition constant on yeast alpha Glucosidase at pH 5.0
50028899	2	ChEMBL_218093 (CHEMBL822540)	Competitive Inhibition constant on yeast alpha Glucosidase at pH 7.0
50028899	13	ChEMBL_218235 (CHEMBL823888)	Competitive Inhibition constant on almonds beta Glucosidase at pH 5.0
50028899	4	ChEMBL_218239 (CHEMBL823892)	Competitive Inhibition constant on Asp. Wentii beta Glucosidase at pH 5.0
50028899	11	ChEMBL_218087 (CHEMBL822534)	Competitive Inhibition constant on rice alpha Glucosidase at pH 6.0
50028899	10	ChEMBL_30092 (CHEMBL642871)	Competitive Inhibition constant on almonds beta Glucosidase at pH 5.0
50028899	5	ChEMBL_218086 (CHEMBL822533)	Competitive Inhibition constant on rice alpha Glucosidase at pH 5.0
50028899	3	ChEMBL_218088 (CHEMBL822535)	Competitive Inhibition constant on rice alpha Glucosidase at pH 8.0
50028899	6	ChEBML_218093	Competitive Inhibition constant on yeast alpha Glucosidase at pH 7.0
50028899	1	ChEMBL_218092 (CHEMBL822539)	Competitive Inhibition constant on yeast alpha Glucosidase at pH 6.0
50034703	1	ChEMBL_33962 (CHEMBL649587)	Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition
50034703	2	ChEBML_33962	Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition
50028904	5	ChEMBL_51498 (CHEMBL665833)	In vitro inhibitory activity against Cyclooxygenase was determined
50028902	28	ChEMBL_40053 (CHEMBL655652)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A); value ranges from 1000 to 1100
50028902	22	ChEMBL_40204 (CHEMBL652249)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 22 to 24
50028902	27	ChEMBL_40054 (CHEMBL655653)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A); value ranges from 680 to 970
50028902	20	ChEMBL_40059 (CHEMBL655657)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A);value ranges from 900 to 1900
50028902	18	ChEMBL_40208 (CHEMBL652888)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 63 to 170
50028902	17	ChEMBL_40209 (CHEMBL653055)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 8.6 to 32
50028902	16	ChEMBL_40206 (CHEMBL652251)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 5.3 to 7.7
50028902	24	ChEMBL_40055 (CHEMBL655654)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A);value ranges from 1100 to 1500
50028902	19	ChEMBL_40203 (CHEMBL652248)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 1.3-3.7
50028902	25	ChEMBL_40058 (CHEMBL655656)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A);value ranges from 620 to 770
50028902	23	ChEMBL_40056 (CHEMBL877268)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A);value ranges from 1200-8500
50028902	21	ChEMBL_40205 (CHEMBL652250)	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 3.0 to 8.1
50028902	15	ChEBML_40206	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cortex (CCK-B);value ranges from 5.3 to 7.7
50028902	26	ChEBML_40059	The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the rat pancreas (CCK-A);value ranges from 900 to 1900
50028906	1	ChEBML_85832	Histamine H3 receptor agonist activity was assessed by the inhibition of the electrically evoked twitch response of the guinea-pig ileum.
50034704	2	ChEBML_40195	Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranes
50034704	1	ChEBML_40042	Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKA in mouse pancreatic membranes
50034705	2	ChEMBL_212055 (CHEMBL815360)	Compound was tested for competitive inhibition with radioligand [3H]colchicine at colchicine site of mammalian tubulin
50034705	1	ChEBML_212015	The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay.
50028925	12	ChEMBL_51503 (CHEMBL666021)	Inhibitory activity against intact rat PMNL, PGE-2 cyclooxygenase was evaluated
50028925	3	ChEMBL_719 (CHEMBL615622)	Inhibitory activity against intact human PMNL, LTB4 5-lipoxygenase was evaluated
50028925	6	ChEBML_719	Inhibitory activity against intact human PMNL, LTB4 5-lipoxygenase was evaluated
50028925	10	ChEMBL_51495 (CHEMBL884361)	Inhibitory activity against human whole blood, TXB2 cyclooxygenase was evaluated
50028925	1	ChEBML_4165	Inhibitory activity against intact rat PMNL, LTB4 5-lipoxygenase was evaluated
50028925	11	ChEMBL_51512 (CHEMBL660372)	Inhibitory activity against sheep seminal vesicle cyclooxygenase was evaluated
50028931	2	ChEMBL_195920 (CHEMBL803389)	In vitro inhibition of human plasma renin at PH 7.4
50028931	3	ChEMBL_195923 (CHEMBL803392)	In vitro inhibition of purified human renin at PH 6.0
50028931	1	ChEBML_195923	In vitro inhibition of purified human renin at PH 6.0
50034707	2	ChEMBL_65092 (CHEMBL673149)	Potency against EPSP synthase
50034707	1	ChEMBL_65090 (CHEMBL673147)	Inhibition of the EPSP synthase by the compound expressed as weak apparent value
50034707	5	ChEMBL_65089 (CHEMBL673146)	Inhibition of the EPSP synthase PEP-Pi site by the compound expressed as apparent value
50028934	3	ChEMBL_49105 (CHEMBL665956)	Compound was tested in vitro for inhibitory activity against chick choline acetyltransferase (ChAT)
50043990	3	ChEMBL_84730 (CHEMBL693731)	Tested for displacement of H-1 in rat brain by radioligand binding studies
50028938	2	ChEMBL_208125 (CHEMBL818154)	Inhibitory concentration against thrombin when incubated with the compound for 3 min in batch 2
50028938	1	ChEMBL_208123 (CHEMBL879205)	Inhibitory concentration against thrombin when incubated with the compound for 3 min
50034710	1	ChEBML_3404	Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor
50034710	3	ChEMBL_3325 (CHEMBL619025)	Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus strip assay
50034710	2	ChEBML_3325	Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus strip assay
50034710	4	ChEMBL_3404 (CHEMBL620719)	Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor
50028943	3	ChEMBL_28833 (CHEMBL649099)	Kd value for adenosine A1 receptor binding at 145 uM
50028943	2	ChEBML_28832	Kd value for adenosine A1 receptor binding at 14.5 uM
50028945	3	ChEMBL_99517 (CHEMBL707241)	Compound was evaluated for receptor binding against [3H]LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay
50028945	2	ChEMBL_99492 (CHEMBL704380)	Compound was evaluated for receptor binding against [3H]LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assay
50028945	1	ChEBML_99517	Compound was evaluated for receptor binding against [3H]LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay
50028946	2	ChEBML_99654	In vitro binding affinity using [3H]LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay
50028946	1	ChEMBL_99654 (CHEMBL709312)	In vitro binding affinity using [3H]LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay
50028948	2	ChEBML_3915	Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.
50034694	2	ChEBML_35567	In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base
50028865	1	ChEBML_157466	Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).
50034705	3	ChEMBL_211860 (CHEMBL878644)	In vitro mammalian brain tubulin polymerization using standard assay.
50028924	1	ChEBML_358	Rate constant against 3-dehydroquinate synthase
50028924	6	ChEMBL_357 (CHEMBL615412)	Association rate constant against 3-dehydroquinate synthase
50028925	4	ChEMBL_4165 (CHEMBL619232)	Inhibitory activity against intact rat PMNL, LTB4 5-lipoxygenase was evaluated
50028943	1	ChEMBL_28832 (CHEMBL649098)	Kd value for adenosine A1 receptor binding at 14.5 uM
50028948	1	ChEBML_4306	Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)
50028949	1	ChEBML_1066	Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as a radioligand
50028951	2	ChEMBL_197421 (CHEMBL799810)	Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template primer
50028951	1	ChEBML_197421	Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template primer
50028951	3	ChEMBL_197420 (CHEMBL799809)	Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template primer
50034711	1	ChEBML_28125	Inhibitory activity against acetylcholinesterase as a prodrug was demonstarted
50034714	1	ChEMBL_155001 (CHEMBL764538)	Compound was evaluated for inhibitory activity of binding of [3H]-C18 PAF to human platelet membrane Platelet activating factor receptor
50028959	1	ChEMBL_220928 (CHEMBL823996)	Compound was evaluated for its binding affinity against enkephalin kappa receptor using [3H]U-69593 as ligand in guinea pig cerebrum in vitro
50034716	1	ChEMBL_3161 (CHEMBL617806)	Binding affinity was evaluated in vitro by displacement of [3H]zacopride radioligand from 5-hydroxytryptamine 3 receptor
50003767	1	ChEMBL_2306696	Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-TGGCAATATCAGCTCCACA-MGBNFQ as fluorescent substrate by FRET analysis
50028967	2	ChEMBL_48789 (CHEMBL662442)	Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from cholesterol fed rabbit liver
50028967	15	ChEMBL_48914 (CHEMBL660744)	Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver
50028967	14	ChEMBL_48783 (CHEMBL661635)	Concentration required for the inhibition of Cholesterol O-acyl transferase from marmoset adrenal
50028967	8	ChEMBL_48781 (CHEMBL661633)	Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 sonicate
50028967	10	ChEMBL_48788 (CHEMBL662441)	Concentration required for the inhibition of Cholesterol O-acyl transferase from cholesterol fed rabbit gut
50028967	16	ChEMBL_48784 (CHEMBL661636)	Concentration required for the inhibition of Cholesterol O-acyl transferase from marmoset gut
50028967	6	ChEMBL_48782 (CHEMBL661634)	Concentration required for the inhibition of Cholesterol O-acyl transferase from human liver
50028967	11	ChEMBL_48785 (CHEMBL662438)	Concentration required for the inhibition of Cholesterol O-acyl transferase from pig liver
50028967	13	ChEBML_48779	Concentration required for the inhibition of Cholesterol O-acyl transferase from hamster liver
50028967	3	ChEMBL_48787 (CHEMBL662440)	Concentration required for the inhibition of Cholesterol O-acyl transferase from cholesterol fed rabbit artery
50028967	7	ChEMBL_48780 (CHEMBL661632)	Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 microsomes
50028967	4	ChEBML_28184	Concentration required for the inhibition of rabbit arterial Acyl coenzyme A:cholesterol acyltransferase
50028970	10	ChEMBL_40198 (CHEMBL652244)	Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]bolton hunter CCK-26-33 as radioligand; 1.3-2.7
50028970	9	ChEMBL_40047 (CHEMBL651450)	Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]bolton hunter CCK-26-33 as radioligand; 1200-8500
50034717	4	ChEMBL_162191 (CHEMBL766711)	Inhibitory activity against human erythrocytic purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate
50034717	1	ChEMBL_162026 (CHEMBL770307)	Inhibitory activity against calf spleen purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate
50034717	6	ChEMBL_162180 (CHEMBL766700)	Inhibitory concentration against human erythrocytic purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate
50040985	9	ChEMBL_3117 (CHEMBL617960)	Compound was evaluated for binding to Serotonin 5-hydroxytryptamine 3 receptor in N1E cells using [3H]- -Tropisetron as radioligand
50040985	10	ChEMBL_3116 (CHEMBL617959)	Compound was evaluated for binding to 5-hydroxytryptamine 3 receptor in N1E cells using [3H]- -Tropisetron as radioligand
50048312	1	ChEMBL_62913 (CHEMBL670708)	Compound was tested for binding affinity at the rat Dopamine receptor D3 expressed in Chinese hamster ovary cells; No significant affinity.
50048309	2	ChEMBL_156478 (CHEMBL761555)	Inhibition of guinea pig heart Phosphodiesterase 3
50048309	3	ChEMBL_156479 (CHEMBL761556)	Inhibition of guinea pig heart Phosphodiesterase 3
50028983	7	ChEMBL_192890 (CHEMBL795929)	Concentration required to inhibit dog plasma renin by 50% using radio-immunoassay was determined
50028983	1	ChEMBL_192719 (CHEMBL801747)	Concentration required to inhibit monkey plasma renin by 50% using radio-immunoassay was determined
50028985	2	ChEMBL_3006 (CHEMBL619796)	Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement.
50028986	5	ChEMBL_217530 (CHEMBL819591)	Compound was evaluated for its inhibitory activity against CO(cyclooxygenase) in intact RBL-1 cell line assay
50028986	6	ChEMBL_217529 (CHEMBL819590)	Compound was evaluated for its inhibitory activity against CO(cyclooxygenase)
50028975	1	ChEBML_217860	Binding affinity against delta receptor with [3H][p-Cl-Phe4]-DPDPE
50000085	5	ChEBML_61130	Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand
50028975	2	ChEBML_217859	Inhibitory activity against Mouse vas deferens smooth muscle
50028975	3	ChEBML_147105	Inhibitory activity against Guinea pig ileum smooth muscle
50028975	4	ChEBML_148702	Binding affinity against Opioid receptor mu 1 with [3H]CTOP
50000085	1	ChEMBL_61297 (CHEMBL672489)	Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using [3H]U-86170 as radioligand
50000085	8	ChEBML_1551	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes
50034720	1	ChEBML_205417	Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand
50000085	2	ChEMBL_61130 (CHEMBL670743)	Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand
50028977	1	ChEBML_34906	Inhibitory concentration against rabbit lung Angiotensin I converting enzyme (ACE)
50028983	2	ChEBML_195763	Concentration required to inhibit human plasma renin by 50% using radio-immunoassay was determined
50034723	1	ChEBML_217856	Compound was evaluated for the binding affinity to delta opioid receptor
50028991	1	ChEMBL_140097 (CHEMBL752974)	Dissociation constant for the blocking of heart muscarinic M2 receptor was reported.
50028991	5	ChEMBL_140095 (CHEMBL752972)	Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.
50034724	1	ChEMBL_139647 (CHEMBL872655)	In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity
50034724	2	ChEBML_139646	In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity
50034724	5	ChEMBL_139646 (CHEMBL748259)	In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity
50000088	3	ChEBML_96965	Capability to inhibit the binding of [3H]LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M
50000088	2	ChEMBL_96964 (CHEMBL706963)	Capability of compound to inhibit the binding of [3H]LTB4 to guinea pig spleen Leukotriene B4 receptor at the concentration of 10e-5 M
50000088	1	ChEMBL_96966 (CHEMBL706965)	Capability of compound to inhibit the binding of [3H]LTB4 to guinea pig spleen Leukotriene B4 receptors at the concentration of 10e-5 M
50028995	3	ChEBML_138273	Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholine receptor M1
50028995	6	ChEMBL_138283 (CHEMBL744240)	Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cells
50028995	8	ChEMBL_139939 (CHEMBL748171)	Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex
50028997	3	ChEMBL_138806 (CHEMBL751541)	Displacement of [3H]pirenzepine from cerebral Muscarinic acetylcholine receptor M1
50028997	1	ChEBML_138806	Displacement of [3H]pirenzepine from cerebral Muscarinic acetylcholine receptor M1
50028999	1	ChEBML_41589	Inhibition of (BChE) Butyrylcholinesterase of horse serum
50029004	4	ChEMBL_80643 (CHEMBL692521)	Compound was evaluated for inhibitory activity against HMG-CoA reductase in liver cell preparation
50029004	2	ChEMBL_80348 (CHEMBL691976)	Compound was evaluated for inhibitory activity against HMG-CoA reductase in bovine ocular cell preparation
50029004	9	ChEMBL_80645 (CHEMBL871989)	Compound was evaluated for inhibitory activity against HMG-CoA reductase in testes cell preparation
50029004	10	ChEMBL_80473 (CHEMBL692721)	Compound was evaluated for inhibitory activity against HMG-CoA reductase in HepG2 cells
50029004	5	ChEMBL_80347 (CHEMBL691975)	Compound was evaluated for inhibitory activity against HMG-CoA reductase in adrenal cell preparation
50029007	2	ChEMBL_99866 (CHEMBL706791)	Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 1
50029007	1	ChEMBL_99863 (CHEMBL706933)	Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung membranes was determined
50029007	4	ChEMBL_99985 (CHEMBL710510)	Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung membranes was determined; experiment 2
50029007	5	ChEMBL_99864 (CHEMBL706934)	Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung membranes was determined (Experiment 1)
50000095	4	ChEMBL_140538 (CHEMBL748766)	Ability to displace strychnine-insensitive [3H]glycine binding to rat cortical membranes.
50000095	1	ChEBML_140538	Ability to displace strychnine-insensitive [3H]glycine binding to rat cortical membranes.
50000095	5	ChEMBL_140406 (CHEMBL746732)	Inhibition of [3H]-MK-801 binding to a N-methyl-D-aspartic acid(NMDA) receptor in glycine-sensitive rat cortical membranes.
50029007	3	ChEMBL_99865 (CHEMBL706790)	Inhibitory concentration against [3H]Leukotriene D4 binding to guinea-pig lung membranes was determined (Experiment 2)
50029023	2	ChEMBL_142508 (CHEMBL747201)	Inhibition of [3H]glycine binding to rat cortical membranes
50029023	1	ChEBML_142508	Inhibition of [3H]glycine binding to rat cortical membranes
50029029	4	ChEBML_61112	Tested for its binding affinity against Dopamine receptor D2; showed no appreciable affinity at concentration specified
50034729	3	ChEBML_210394	Compound was tested in vitro for inhibitory activity against thermolysin
50029035	1	ChEBML_161608	In vitro for inhibitory activity against myosin light-chain kinase from chicken gizzard (M-kinase)
50029035	2	ChEBML_161731	In vitro for inhibitory activity against cAMP-dependent protein kinase from bovine heart (A-kinase)
50029035	3	ChEBML_161596	In vitro for inhibitory activity against cGMP-dependent protein kinase from bovine lung (G-kinase)
50034730	1	ChEMBL_98512 (CHEMBL706534)	In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils
50034730	3	ChEMBL_98505 (CHEMBL709167)	Compound was evaluated for inhibition of binding of [3H]LTB4 to LTB4 receptor in guinea-pig lung membranes
50034730	2	ChEBML_98512	In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils
50029039	1	ChEMBL_162557 (CHEMBL768499)	Inhibition of [3H]phorbol-12,13-dibutyrate binding to PK-C
50029039	2	ChEBML_160298	Inhibition of [20-3H]phorbol-12,13-dibutyrate(PDBU) binding to purified PK-C alpha
50029039	3	ChEMBL_160298 (CHEMBL769626)	Inhibition of [20-3H]phorbol-12,13-dibutyrate(PDBU) binding to purified PK-C alpha
50029041	1	ChEMBL_36935 (CHEMBL650270)	Inhibition of Angiotensin II receptor, type 1 in rabbit aorta using [125I-Sar1,Ile8] angiotensin II binding assay
50029041	4	ChEBML_36936	Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using [125I-Sar1,Ile8] angiotensin II binding assay
50029041	2	ChEBML_35288	Compound was evaluated for inhibition of Angiotensin II receptor, type 2 in rat midbrain AT2 assay
50029041	7	ChEMBL_36936 (CHEMBL650271)	Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using [125I-Sar1,Ile8] angiotensin II binding assay
50029043	4	ChEBML_1441	Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor
50029043	5	ChEMBL_1441 (CHEMBL616314)	Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor
50029043	3	ChEMBL_1454 (CHEMBL616577)	The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 1 mM of MnCl2
50029043	1	ChEBML_1441	Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor
50034733	5	ChEBML_146528	Compound was evaluated for binding affinity against Opioid receptor kappa 1 by opioid receptor binding assay: Inactive
50034733	1	ChEBML_144304	Binding affinity against rat neurotensin receptor.
50034733	7	ChEBML_147155	Compound was evaluated for binding affinity against Opioid receptor delta 1 binding assay: Inactive
50034733	6	ChEBML_138746	Compound was evaluated for binding affinity against mu receptor by opioid receptor binding assay: Inactive
50029046	5	ChEMBL_86709 (CHEMBL693301)	In vitro inhibition of LTB4 biosynthesis by human leukocytes
50029046	3	ChEMBL_3797 (CHEMBL619872)	In vitro inhibition of human recombinant lipoxygenase enzyme
50029054	1	ChEBML_64658	Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)
50029054	5	ChEMBL_64658 (CHEMBL674810)	Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)
50029054	4	ChEMBL_64651 (CHEMBL674803)	Rate constant for the compound was determined against human leukocyte elastase (HLE)
50029055	1	ChEBML_63974	Compound was tested for its inhibitory effect against Human leukocyte elastase (HLE)
50029055	2	ChEMBL_63974 (CHEMBL677600)	Compound was tested for its inhibitory effect against Human leukocyte elastase (HLE)
50029055	3	ChEMBL_63652 (CHEMBL675539)	Inhibition of Human leukocyte elastase
50029056	1	ChEBML_63804	Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptide
50029058	2	ChEMBL_202118 (CHEMBL808976)	Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes
50029065	1	ChEBML_27804	Tested for the ability to inhibit Acetylcholinesterase (AChE) from Torpedo californica
50029066	2	ChEMBL_73023 (CHEMBL682625)	Tested for the inhibition against the human dihydrofolate reductase
50029066	4	ChEMBL_73024 (CHEMBL682626)	Tested for the inhibition of trifunctional Glycinamide ribonucleotide formyltransferase isolated from murine L1210 cells.
50029066	1	ChEBML_73023	Tested for the inhibition against the human dihydrofolate reductase
50029070	1	ChEBML_45634	Compound was tested for inhibitory activity against carboxypeptidase A
50029071	1	ChEBML_90983	The compound was tested for its inhibitory activity against IL-1 beta converting enzyme
50029075	1	ChEBML_157565	Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.
50029076	1	ChEBML_155154	Inhibition of [3H]PAF binding to rabbit platelet membranes
50029081	2	ChEBML_48252	In vitro inhibition of [125I]- Bolton Hunter CCK-8 binding to Cholecystokinin type B receptor in the mouse cerebral cortex.
50029081	1	ChEBML_50048	In vitro inhibition of [125I]- Bolton Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas.
50000099	5	ChEBML_149059	Half-maximal inhibition of binding of [3H]oxytocin to OT receptor in rat uterine tissue
50034739	1	ChEMBL_196570 (CHEMBL800448)	Compound was evaluated for its inhibitory activity against AdoMet-DC from Escherichia coli
50034739	3	ChEMBL_196575 (CHEMBL800453)	Compound was evaluated to inactivate the human AdoMet-DC; value ranges from 10.7 to 62.7 uM
50034739	4	ChEMBL_196574 (CHEMBL800452)	Compound was evaluated to inactivate the human AdoMet-DC
50000099	1	ChEBML_214881	Compound was evaluated for half-maximal inhibition of binding of [3H]vasopressin to Vasopressin V2 receptor
50029087	2	ChEMBL_39912 (CHEMBL654501)	Tested for ability to block the CD4-gp120 interaction measured by binding of [125I]sCD4 to gp120
50029087	4	ChEMBL_39916 (CHEMBL655878)	Tested in an HIV viral syncytium assay for inhibition of binding of recombinant CD4-gp120
50029089	3	ChEMBL_64961 (CHEMBL676327)	Tested for the dissociation constant against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase
50034740	1	ChEBML_197377	Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli
50029095	4	ChEMBL_58316 (CHEMBL672710)	Binding affinity towards dopamine D2 receptor using radiolabeled ligand [3H]spiperone
50029095	6	ChEMBL_201409 (CHEMBL810643)	Binding affinity towards sigma receptor using radiolabeled ligand [3H]-(+)-SKF- 10,047 was determined
50029097	1	ChEBML_34935	Tested for inhibitory constant against Angiotensin I converting enzyme
50029099	1	ChEBML_28337	In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.
50034741	2	ChEMBL_67989 (CHEMBL679545)	Inhibition against estrone sulfatase in placental preparation
50034741	5	ChEMBL_67988 (CHEMBL679544)	Inhibition against estrone sulfatase in breast tumor preparations
50034741	4	ChEMBL_68003 (CHEMBL678512)	Binding affinity against estrone sulfatase in placental preparation
50029105	3	ChEMBL_53890 (CHEMBL668917)	Tested for ability to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay
50029108	1	ChEBML_143044	Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal membranes using [125I]BH-SP as radioligand
50029109	1	ChEBML_63191	Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells
50029109	3	ChEMBL_63191 (CHEMBL679794)	Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells
50029109	2	ChEBML_64037	Displacement of [125I]ET1 from Endothelin B receptor of rat cerebellum
50029117	2	ChEMBL_161473 (CHEMBL770276)	Displacement of [3H]-PDBU from protein kinase C-alpha
50029117	1	ChEBML_221029	Displacement of [3H]PDBU from protein kinase C-alpha
50034744	1	ChEMBL_202266 (CHEMBL813379)	Tested for inhibitory potency against rat liver microsomal squalene synthase
50040988	2	ChEMBL_3394 (CHEMBL875080)	Tested for its binding affinity by measuring its ability to displace [3H]granisetron from 5-hydroxytryptamine 3 receptor in rat cortex
50029120	1	ChEMBL_216780 (CHEMBL817056)	Tested for inhibition of hydrolysis in presence of alpha-chymotrypsin and boronic acid(Apparent inhibition constant)
50034745	4	ChEMBL_61435 (CHEMBL671408)	In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2
50034745	1	ChEMBL_61436 (CHEMBL671409)	Displacement of [3H]spiperone from rat striatal Dopamine receptor D2
50034745	5	ChEMBL_58323 (CHEMBL671782)	In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1
50000099	2	ChEMBL_149060 (CHEMBL760424)	Compound was evaluated for half-maximal inhibition of binding of [3H]oxytocin to Oxytocin receptor in rat uterine tissue
50034745	2	ChEBML_58323	In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1
50034747	1	ChEBML_3909	Inhibition of rat basophilic leukemia cell 5-lipoxygenase
50034747	6	ChEMBL_158167 (CHEMBL766130)	Inhibition of ovine seminal vesicle prostaglandin synthetase
50029126	2	ChEMBL_63656 (CHEMBL675543)	In vitro inhibitory activity against human leukocyte elastase
50029133	1	ChEBML_49722	Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor in pancreatic membranes of guinea-pig
50029133	5	ChEMBL_48598 (CHEMBL662477)	Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in rat brain membranes
50029134	1	ChEBML_48596	In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini
50029134	2	ChEBML_47980	In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes
50029135	2	ChEBML_47820	Displacement of [125I]Bolton-Hunter-CCK-8 from guinea pig cortex Cholecystokinin type B receptor
50029135	1	ChEBML_49574	Displacement of [125I]Bolton-Hunter-CCK-8 from guinea pig pancreas Cholecystokinin type A receptor
50034749	4	ChEMBL_47976 (CHEMBL657479)	Displacement of [3H](N-methyl-N-leucine)-CCK-8 to Cholecystokinin type B receptor of guinea pig brain cortex
50034749	5	ChEMBL_50204 (CHEMBL663497)	Displacement of [125I](BH)-CCK-8 to Cholecystokinin type A receptor in rat pancreatic acini
50029137	2	ChEMBL_47972 (CHEMBL657475)	Tested for its activity to inhibit the binding of [125I]CCK-33 to Cholecystokinin type B receptor in guinea pig brain
50029137	4	ChEMBL_71520 (CHEMBL682557)	Tested for its activity to inhibit the binding of [125I]gastrin to gastric glands (gastrin) in guinea pig
50029137	3	ChEBML_71520	Tested for its activity to inhibit the binding of [125I]gastrin to gastric glands (gastrin) in guinea pig
50029138	1	ChEBML_47974	Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig cortex.
50029138	2	ChEMBL_71521 (CHEMBL682558)	Ability to inhibit the binding of [125I]-gastrin to gastric glands in guinea pig.
50029138	4	ChEMBL_47974 (CHEMBL657477)	Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig cortex.
50029138	5	ChEMBL_50203 (CHEMBL663496)	Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas.
50029139	3	ChEMBL_50201 (CHEMBL663494)	The compound was tested for its activity to inhibit the binding of [3H]-L-364,718 to Cholecystokinin type A receptor in rat pancreas
50029139	2	ChEBML_48271	The compound was tested for its activity to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in mouse brain at a pH of 7.4
50029139	6	ChEMBL_48270 (CHEMBL663175)	The compound was tested for its activity to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in mouse brain at a pH of 6.5
50029140	1	ChEBML_48269	Inhibition of [125I]CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex.
50029140	2	ChEBML_50196	Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor of rat pancreas
50034750	1	ChEBML_48105	The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex.
50029147	1	ChEBML_142864	The compound was evaluated for the inhibition of [125I]NKA binding to neurokinin NK2 receptor from hamster urinary bladder membranes
50029147	3	ChEMBL_209369 (CHEMBL812063)	The compound was evaluated for the inhibition of [125I]NKA binding to Tachykinin receptor 2 from rat duodenum membranes
50029148	2	ChEMBL_144147 (CHEMBL750762)	Compound was evaluated for its inhibitory activity against human neuropeptide Y2 receptor expressing LN319 cells
50029148	1	ChEBML_144150	Compound was evaluated for its inhibitory activity against Y2 receptor of rabbit kidney membrane
50029156	1	ChEBML_160301	Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C (alpha)
50029158	1	ChEBML_99986	Inhibition of [3H]LTD4 binding to guinea-pig lung membrane
50029160	1	ChEMBL_98504 (CHEMBL709166)	Binding affinity against LTB4 receptor in guinea pig membrane
50029160	2	ChEBML_98504	Binding affinity against LTB4 receptor in guinea pig membrane
50029162	2	ChEMBL_148884 (CHEMBL753759)	Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)
50034754	2	ChEMBL_218229 (CHEMBL818904)	Dissociation constant for platelet glycoprotein alphaIIb-beta3 integrin from human platelets
50029165	2	ChEBML_140108	Displacement of [3H]QNB from rat brain stem muscarinic receptor 2 (M2)
50029165	3	ChEMBL_140108 (CHEMBL752109)	Displacement of [3H]QNB from rat brain stem muscarinic receptor 2 (M2)
50029165	1	ChEBML_139843	Displacement of [3H]QNB from muscarinic receptor 1 expressed in CHO-K1 cells
50029169	1	ChEMBL_210268 (CHEMBL809292)	In vitro binding affinity was determined for platelet thromboxane receptor in presence of [3H]-SQ 29548
50029170	2	ChEMBL_36927 (CHEMBL652722)	Ability to displace [125I]Sar1-Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta in presence of 0.2% bovine serum albumin (BSA) was determined in vitro
50029171	1	ChEMBL_36928 (CHEMBL652723)	Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in rabbit aorta in presence of 0.2% bovine serum albumin (BSA) was determined in vitro
50029171	3	ChEMBL_36926 (CHEMBL652721)	Displacement of [125I]Sar1-Ile8-AII (without BSA) from type 1 Angiotensin II receptor of rabbit aorta
50000101	14	ChEBML_73269	Inhibition of electrically evoked contractions in Guinea pig ileum
50000101	8	ChEMBL_147172 (CHEMBL754471)	Inhibition of [3H]- ]DSLET binding to Opioid receptor delta 1 from rat brain membrane
50000101	6	ChEMBL_149134 (CHEMBL873302)	Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane
50000101	5	ChEBML_146595	Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane
50000101	3	ChEBML_146595	Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane
50000101	7	ChEBML_149135	Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane
50000101	15	ChEMBL_73269 (CHEMBL682517)	Inhibition of electrically evoked contractions in Guinea pig ileum
50000101	2	ChEMBL_146595 (CHEMBL752699)	Inhibition of [3H]- ]DSLET binding to opioid receptor delta from rat brain membrane
50000101	16	ChEMBL_129918 (CHEMBL741590)	Inhibition of electrically evoked contractions in mouse vas deferens
50000101	1	ChEBML_149135	Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane
50029171	2	ChEBML_36928	Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in rabbit aorta in presence of 0.2% bovine serum albumin (BSA) was determined in vitro
50000103	3	ChEBML_27629	Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX
50000103	1	ChEBML_71194	Relaxant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.
50000103	4	ChEBML_29284	Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX.
50029172	1	ChEBML_201934	Inhibitory concentration at which 50% decrease in the activity of Squalene epoxidase in pig liver microsomes
50034755	2	ChEMBL_62817 (CHEMBL674129)	Inhibitory concentration against [3H]dopamine uptake
50034755	9	ChEMBL_62807 (CHEMBL674120)	Displacement of [3H]mazindol from dopamine transporter
50034755	1	ChEBML_62807	Displacement of [3H]mazindol from dopamine transporter
50034755	7	ChEMBL_62948 (CHEMBL675532)	Binding constant for [3H]dopamine uptake was calculated from the Cheng-Prusoff relationship
50029175	1	ChEBML_40043	Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas.
50029175	2	ChEBML_40194	Compound measured for half-maximal inhibition of specific binding of [125I]bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex.
50029175	3	ChEMBL_40043 (CHEMBL651447)	Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas.
50029175	4	ChEMBL_40194 (CHEMBL652240)	Compound measured for half-maximal inhibition of specific binding of [125I]bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex.
50029177	4	ChEMBL_65087 (CHEMBL673144)	Binding affinity against Escherichia coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) synthase
50029177	3	ChEMBL_64958 (CHEMBL675701)	Dissociation constant was calculated for Escherichia coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase
50034757	4	ChEMBL_58697 (CHEMBL672042)	Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with [3H]spiroperidol (0.5 nM) in rat striatal membranes
50000105	5	ChEMBL_145083 (CHEMBL857599)	Compound was evaluated for its effect towards [3H]DSLET binding to Opioid receptor delta 2 at 4 nM concentration
50000105	2	ChEBML_146783	Compound was evaluated for its effect towards [3H]DPDPE binding to Opioid receptor delta 1 at 0.25 nM concentration expressed as dissociation constant
50000105	1	ChEMBL_146784 (CHEMBL754446)	Compound was evaluated for its effect towards [3H]DPDPE binding to Opioid receptor delta 1 at 4 nM concentration expressed as dissociation constant
50000105	3	ChEMBL_145082 (CHEMBL753308)	Compound was evaluated for its effect towards [3H]DSLET binding to Opioid receptor delta 2 at 0.25 nM concentration
50000105	6	ChEMBL_146783 (CHEMBL754445)	Compound was evaluated for its effect towards [3H]DPDPE binding to Opioid receptor delta 1 at 0.25 nM concentration expressed as dissociation constant
50034757	1	ChEMBL_58696 (CHEMBL672662)	Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with [3H]-SND 919 (0.5 nM) in rat striatal membranes
50034759	1	ChEBML_155135	Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro
50040992	1	ChEMBL_98641 (CHEMBL708866)	Compound was evaluated for its antagonist affinity at 0.1 uM on guinea-pig trachea rings against LTD4 receptor
50029186	1	ChEMBL_208022 (CHEMBL882138)	Binding affinity against HSV-1 Thymidine kinase
50029186	2	ChEMBL_208018 (CHEMBL814147)	Inhibition of HSV-1 Thymidine kinase
50029187	2	ChEMBL_159293 (CHEMBL763333)	Compound was evaluated for its inhibitory activity against recombinant HIV-1 protease using [125I]-SPA (scintillation proximity assay)
50029187	4	ChEMBL_157561 (CHEMBL763313)	Compound was evaluated for its binding affinity against HIV-1 protease using [125I]-SPA (scintillation proximity assay)
50029188	1	ChEMBL_159319 (CHEMBL769372)	Concentration required for inhibitory activity against HIV-1 Protease
50029189	1	ChEMBL_199536 (CHEMBL801405)	The inhibitory activity (Ki) of the deprotonated compound was measured against scytalone dehydratase at pH 9.8
50029189	2	ChEMBL_199537 (CHEMBL801406)	The inhibitory activity (Ki) of the protonated compound was measured against scytalone dehydratase at pH 7.0
50029195	1	ChEBML_36950	In vitro binding affinity towards Angiotensin II type 1-AT1 receptor determined as its ability to displace 125I-Sarl,Ile8-AII from the receptor expressed in rabbit aorta membrane.
50029203	4	ChEMBL_217981 (CHEMBL824100)	In vitro binding affinity towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit brain tissue preparation
50029203	6	ChEMBL_36951 (CHEMBL648854)	In vitro binding affinity towards angiotensin-1 receptor to displace 125I[Sar,Ile] from rabbit adrenal tissue preparation
50029203	1	ChEMBL_36949 (CHEMBL648852)	Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor type 1
50029203	5	ChEMBL_35411 (CHEMBL643585)	In vitro binding affinity towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat brain tissue preparation
50029203	7	ChEMBL_34822 (CHEMBL648756)	In vitro binding affinity towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat adrenal tissue preparation
50034764	2	ChEMBL_34833 (CHEMBL648767)	Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes
50034764	4	ChEMBL_35419 (CHEMBL643593)	Receptor binding affinity for Angiotensin II receptor, type 2 determined
50029209	1	ChEMBL_34830 (CHEMBL648764)	In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.
50029213	1	ChEMBL_34651 (CHEMBL649710)	Inhibition of Angiotensin II receptor type 1 in rabbit aorta binding assay
50000109	2	ChEBML_36907	Inhibition of hydrolysis of N-[3-(2-furyl)acryloyll-Phe-Gly-Gly7 by angiotensin I converting enzyme
50029216	1	ChEBML_36947	Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta membrane
50029218	2	ChEMBL_36948 (CHEMBL648851)	In vitro binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta membrane
50029219	1	ChEMBL_35258 (CHEMBL648564)	Tested for Angiotensin II receptor, type 1 affinity in the presence of 0.25% bovine serum albumin (BSA)
50029219	6	ChEMBL_35255 (CHEMBL647576)	Tested for Angiotensin II receptor, type 1 affinity in the absence of BSA
50029222	1	ChEMBL_36946 (CHEMBL648849)	Displacement of the specific binding ligand [125I]Sar1,Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta membrane.
50029224	1	ChEMBL_35431 (CHEMBL643791)	Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uterine membranes.
50029225	1	ChEMBL_36953 (CHEMBL648856)	In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace 125I-Sar,Ile8-AII in rabbit aorta
50000112	7	ChEMBL_99650 (CHEMBL709308)	Concentration inhibiting the binding of [3H]LTB4 to human whole cell neutrophils
50000112	6	ChEMBL_99848 (CHEMBL706919)	Antagonistic activity against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg. 
50000112	3	ChEMBL_99685 (CHEMBL710115)	Affinity for human PMN LTB-4 receptors.
50000112	5	ChEMBL_99498 (CHEMBL708397)	Antagonistic activity against LTB4 receptor using guinea pig (GP) spleen cell membrane
50000112	4	ChEMBL_99649 (CHEMBL709307)	Concentration inhibiting the binding of [3H]LTB4 to human neutrophils
50000112	9	ChEMBL_157586 (CHEMBL769302)	Concentration inhibiting 1 nM LTB4-induced aggregation in GP polymorphonuclear (PMN) leukocytes.
50000112	2	ChEMBL_99504 (CHEMBL708403)	Antagonistic activity against human polymorphonuclear (PMN) LTB4 receptor
50000112	10	ChEMBL_99499 (CHEMBL708398)	Affinity for guinea pig PMN LTB-4 receptors.
50000112	1	ChEBML_99498	Antagonistic activity against LTB4 receptor using guinea pig (GP) spleen cell membrane
50000113	2	ChEBML_99486	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes
50000113	4	ChEMBL_99486 (CHEMBL704374)	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes
50000113	1	ChEMBL_99669 (CHEMBL705077)	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes
50000114	3	ChEBML_99487	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.
50000114	2	ChEBML_99487	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.
50000114	6	ChEMBL_157910 (CHEMBL764819)	Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes
50000114	5	ChEMBL_99487 (CHEMBL704375)	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor in the guinea pig spleen membranes.
50000114	1	ChEMBL_99670 (CHEMBL705078)	Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor in the human polymorphonuclear leukocytes.
50000114	4	ChEMBL_99488 (CHEMBL704376)	Inhibition of [3H]LTB4 binding to Leukotriene B4 receptor of human polymorphonuclear leukocytes
50029227	1	ChEMBL_34653 (CHEMBL649712)	Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in rabbit aortic membrane
50040994	1	ChEMBL_36318 (CHEMBL652267)	In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings
50029231	1	ChEMBL_79818 (CHEMBL695237)	Inhibitory activity if the compound was determined against HIV protease
50029235	1	ChEBML_164508	Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli
50034767	1	ChEMBL_34647 (CHEMBL648938)	Inhibitory activity against Angiotensin II receptor, type 1 induced contractions in isolated rabbit aortic rings
50029243	3	ChEMBL_160470 (CHEMBL761766)	Inhibition of Protein kinase C beta 1
50029244	1	ChEMBL_89 (CHEMBL615209)	Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki
50042150	1	ChEMBL_122668 (CHEMBL879670)	Concentration required for in vitro motilin receptor binding, expressed as negative logarithm of IC50
50042150	2	ChEMBL_122667 (CHEMBL732797)	Concentration required for in vitro acid stability with hydrochloric acid solution (pH 2.5 ) at room temperature for 2 hr by assaying the solution for motilin receptor binding
50040995	1	ChEMBL_205190 (CHEMBL812006)	In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I
50040995	2	ChEMBL_205047 (CHEMBL812406)	In vitro inhibition of recombinant human Steroid 5-alpha-reductase type 2
50029252	1	ChEMBL_3241 (CHEMBL618927)	5-hydroxytryptamine 4 receptor agonist activity as increased response to electrical stimulation in guinea pig ileum
50029252	6	ChEMBL_3250 (CHEMBL619756)	5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guinea pig ileum
50029252	5	ChEMBL_3251 (CHEMBL619757)	5-hydroxytryptamine 4 receptor antagonist activity expressed as the concentration which produced a 50% reduction of 5-HT induced contraction in guinea pig ileum; Not evaluable
50029252	3	ChEMBL_2976 (CHEMBL620623)	Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 in rat posterior cortex
50029252	2	ChEMBL_3332 (CHEMBL619032)	5-hydroxytryptamine 4 receptor agonist activity was determined by the relaxation of the carbachol-contracted rat esophageal tunica muscularis mucosae
50029252	4	ChEMBL_3341 (CHEMBL619041)	Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum
50034768	1	ChEMBL_36938 (CHEMBL650273)	Displacement of [125 I]Sar1Ile8-AII from type 1 Angiotensin II receptor of rabbit aorta membrane
50000124	2	ChEBML_146597	Binding affinity against opioid receptor delta in rats by displacing [3H]DPDPE
50000124	1	ChEBML_146555	Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO
50000128	5	ChEBML_58717	Compound was tested for the displacement of [3H]spiperone from Dopamine receptor D2 from rat striatal membranes.
50000128	3	ChEBML_33274	Compound was tested for the displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat striatal membranes
50042151	2	ChEMBL_122670 (CHEMBL733405)	In vitro binding affinity towards motilin receptor was determined in rabbit small intestinal smooth muscle tissue homogenate
50042151	1	ChEBML_122669	In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tissue homogenate
50042151	3	ChEMBL_122669 (CHEMBL733404)	In vitro binding affinity towards motilin receptor was determined after treatment with hydrochloric acid in rabbit small intestinal smooth muscle tissue homogenate
50034770	4	ChEBML_142863	Binding affinity for NK2 receptor binding sites in membranes prepared from hamster urinary bladder by using [125I]NKA as radioligand
50034770	3	ChEBML_142869	Binding affinity for NK3 receptor binding sites in guinea pig cortical membranes by using [125I][MePhe7]-NKB as radioligand
50034770	2	ChEBML_142734	Binding affinity for NK1 receptor binding sites in human lymphoma IM9 cells by using [125I]-Bolton-Hunter substance P as radioligand
50029267	5	ChEMBL_36339 (CHEMBL650166)	Binding affinity expressed as inhibitory concentration against angiotensin II of rat adrenal cortex
50040997	1	ChEMBL_35983 (CHEMBL645286)	Inhibition of Angiotensin I converting enzyme
50040997	2	ChEMBL_144314 (CHEMBL754359)	Inhibition of Neutral Endopeptidase (NEP)
50029271	1	ChEBML_64002	Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant
50042152	2	ChEMBL_90023 (CHEMBL699522)	Inhibition of ADP-mediated platelet aggregation in human gel-filtered platelets
50042153	2	ChEMBL_90184 (CHEMBL699494)	Inhibition of 10 uM ADP-induced human gel filtered platelet aggregation with 0.1 mg/mL human fibrinogen
50004544	2	ChEMBL_2263633	Inhibition of recombinant PTP1B (unknown origin)
50000128	2	ChEMBL_58717 (CHEMBL671110)	Compound was tested for the displacement of [3H]spiperone from Dopamine receptor D2 from rat striatal membranes.
50000128	4	ChEMBL_61408 (CHEMBL673349)	Compound was tested for the displacement of [3H]spiperone from dopamine receptor D2 from rat striatal membranes.
50029278	1	ChEMBL_205577 (CHEMBL812541)	Binding affinity towards human Tachykinin receptor 1 expressed in CHO cells by the displacement of [125 I] substance P
50029285	1	ChEMBL_192909 (CHEMBL795270)	Compound was tested for the inhibition of guinea pig plasma renin
50029285	3	ChEMBL_192718 (CHEMBL801746)	Compound was tested for the inhibition of monkey plasma renin
50034774	1	ChEMBL_43 (CHEMBL615155)	Inhibitory activity against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)
50029291	4	ChEMBL_210279 (CHEMBL808526)	In vitro inhibition of thromboxane synthase
50029291	2	ChEBML_210279	In vitro inhibition of thromboxane synthase
50000129	6	ChEBML_61406	Displacement of [3H]spiperone from Dopamine receptor D2 rat striatal membranes
50000129	4	ChEBML_33271	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes
50029292	1	ChEBML_210265	In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets
50029292	4	ChEMBL_210280 (CHEMBL808527)	In vitro inhibition against thromboxane synthase
50029293	2	ChEMBL_98506 (CHEMBL709168)	LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]LTB4 in guinea pig lung membranes
50029293	3	ChEMBL_98629 (CHEMBL711830)	LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]LTB4 in human neutrophil
50029292	2	ChEBML_210280	In vitro inhibition against thromboxane synthase
50029318	2	ChEMBL_3816 (CHEMBL618003)	Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4
50029295	1	ChEBML_68475	Inhibition of ras Farnesyltransferase
50000129	2	ChEMBL_33159 (CHEMBL642944)	Compound was tested for i the displacement of [3H]prazosin from alpha-1 adrenergic receptor
50029297	5	ChEMBL_49585 (CHEMBL661238)	Compound was tested for the inhibition of chymotrypsin at 120 nM
50029297	3	ChEMBL_49587 (CHEMBL661240)	Compound was tested for the inhibition of chymotrypsin at 276 nM
50029301	1	ChEBML_86531	In vitro inhibitory activity against human leukocyte elastase was determined
50000129	5	ChEMBL_61407 (CHEMBL673348)	Compound was tested for the displacement of [3H]spiperone from dopamine receptor D2
50029302	1	ChEBML_201932	Compound was tested for inhibition of partially purified squalene epoxidase
50029303	1	ChEMBL_201578 (CHEMBL809700)	Binding affinity for Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM [3H]-(+)-DTG
50029303	3	ChEMBL_201427 (CHEMBL810660)	Binding affinity for Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM [3H](+)-PENT
50029303	2	ChEBML_201578	Binding affinity for Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM [3H]-(+)-DTG
50029305	1	ChEMBL_138804 (CHEMBL751539)	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 by the displacement of [3H]oxotremorine-M in rat brain membranes
50000132	3	ChEBML_146420	Binding ability towards opioid receptor mu expressed in homogenates of rat brain.
50000132	2	ChEBML_145373	Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.
50000132	1	ChEBML_146581	Binding ability towards opioid receptor delta expressed in homogenates of rat brain.
50029305	2	ChEBML_138805	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 by the displacement of [3H]pirenzepine in rat cerebral cortical membranes
50029307	2	ChEBML_35563	In vitro binding affinity of compound against angiotensin II AT-2 receptor
50029307	1	ChEBML_35253	In vitro binding affinity of compound against Angiotensin II receptor, type 1
50029309	3	ChEBML_142709	Concentration producing half-maximal inhibition of specific binding of. [125I]neurokinin A to NK-2 receptors in the hamster urinary bladder
50029309	1	ChEBML_144912	Concentration producing half-maximal inhibition of specific binding of. [125I]Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral cortex
50029309	4	ChEBML_209394	Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
50029309	5	ChEMBL_48260 (CHEMBL661471)	Concentration producing half-maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex
50029309	2	ChEBML_48260	Concentration producing half-maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex
50041002	3	ChEMBL_54076 (CHEMBL669829)	In vitro inhibition of dihydrodipicolinic acid synthase.
50029312	1	ChEBML_216783	Binding affinity against alpha-chymotrypsin
50041003	1	ChEBML_204885	Apparent inhibition constant towards human Steroid 5-alpha-reductase type I
50041003	2	ChEBML_205046	Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2
50029313	1	ChEBML_35442	In vivo inhibitory concentration against AT2 receptor of rat adrenal membrane
50029313	8	ChEMBL_34964 (CHEMBL647886)	In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rat adrenal membrane
50029313	5	ChEMBL_35442 (CHEMBL643802)	In vivo inhibitory concentration against AT2 receptor of rat adrenal membrane
50029313	9	ChEMBL_35559 (CHEMBL647339)	In vivo inhibitory concentration against Angiotensin II, type 2 of rat midbrain membrane
50029317	2	ChEMBL_3801 (CHEMBL619876)	Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23187 for the formation of 5-HETE
50029317	3	ChEMBL_3802 (CHEMBL619877)	Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23187 for the formation of leukotriene B4 (LTB4)
50029317	1	ChEBML_3802	Compound was tested for the inhibition of 5-lipoxygenase of human PMN stimulated by calcium ionophore A-23187 for the formation of leukotriene B4 (LTB4)
50014247	1	ChEMBL_87549 (CHEMBL695147)	Concentration required for inhibition of histone deacetylase HD2 in vitro.
50029424	16	ChEMBL_34124 (CHEMBL649752)	Inhibition constant against Alpha-chymotrypsin inhibitor was determined
50029325	2	ChEMBL_42914 (CHEMBL654395)	Binding of [3H]nitrendipine to calcium channel in rat heart membranes
50029325	3	ChEMBL_42913 (CHEMBL654394)	Binding of [3H]nitrendipine to calcium channel in rat cerebral cortex
50043992	2	ChEMBL_143557 (CHEMBL755329)	Binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 by displacement of [3H](-)-cytisine from whole rat brain membranes
50029332	3	ChEBML_212198	Compound was tested for the inhibition of trypsin
50029332	2	ChEBML_206131	Compound was tested for the inhibition of subtilisin
50041005	2	ChEMBL_157883 (CHEMBL857519)	Inhibitory activity against HIV-1 protease
50029336	3	ChEMBL_53438 (CHEMBL666288)	Binding to delta opioid receptor by using [3H]DPDPE as radioligand in guinea pig brain minus cerebellum
50029336	1	ChEMBL_92402 (CHEMBL701396)	Binding to kappa opioid receptor by using [3H]U-69593 as radioligand in guinea pig cerebellum
50029336	2	ChEMBL_136092 (CHEMBL884714)	Binding to mu opioid receptor by using [3H]DAMGO as radioligand in guinea pig brain minus cerebellum
50029338	1	ChEMBL_144919 (CHEMBL749392)	Compound was tested for the displacement of [ 1251] Substance P from hNK1 receptor in CHO cells
50029346	1	ChEBML_36624	Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation
50029346	2	ChEMBL_36624 (CHEMBL652864)	Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation
50034779	6	ChEBML_37556	Inhibitory activity was determined against almonds beta-glucosidase
50034779	2	ChEMBL_34244 (CHEMBL649496)	Inhibitory activity was determined against Escherichia coli Alpha-galactosidase
50034779	3	ChEBML_215887	Inhibitory activity was determined against bovine liver beta galactosidase
50034779	8	ChEMBL_33932 (CHEMBL647267)	Inhibitory activity was determined against baker's yeast Alpha-Glucosidase
50034779	1	ChEMBL_215881 (CHEMBL820814)	Inhibitory activity was determined against Escherichia coli beta galactosidase
50034779	9	ChEMBL_37555 (CHEMBL647636)	Inhibitory activity was determined against almonds Beta-glucosidase
50034779	10	ChEMBL_215887 (CHEMBL820819)	Inhibitory activity was determined against bovine liver beta galactosidase
50034779	5	ChEBML_33932	Inhibitory activity was determined against baker's yeast Alpha-Glucosidase
50034779	7	ChEMBL_34262 (CHEMBL647606)	Inhibitory activity against baker's yeast Alpha-galactosidase
50034779	4	ChEMBL_37556 (CHEMBL647637)	Inhibitory activity was determined against almonds beta-glucosidase
50029355	2	ChEBML_101924	Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells.
50029355	1	ChEBML_101760	Inhibition of the Collagenase enzyme was determined from purified NSO cells.
50029355	3	ChEBML_102089	Inhibition of the Stromelysin enzyme was determined from purified NSO cells.
50029357	1	ChEBML_159463	Inhibitory activity against HIV-1 Protease was determined
50029359	4	ChEMBL_71802 (CHEMBL683486)	Inhibitory activity against geranylgeranyl transferase
50029359	1	ChEBML_70125	Inhibition of farnesyl transferase
50029360	1	ChEBML_36766	Inhibitory concentration against AT2 receptor from rat adrenal tissues.
50029360	6	ChEMBL_36626 (CHEMBL876769)	Inhibitory concentration against cloned human AT1 receptor
50029360	8	ChEMBL_36766 (CHEMBL651096)	Inhibitory concentration against AT2 receptor from rat adrenal tissues.
50029360	10	ChEMBL_36649 (CHEMBL652359)	Inhibitory concentration against AT1 receptor from rat adrenal tissues.
50034782	1	ChEBML_35571	Inhibitory concentration against angiotensin converting enzyme (ACE)
50029364	1	ChEBML_101742	Inhibition of human fibroblast collagenase
50029368	2	ChEBML_40188	Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig.
50029368	1	ChEBML_40039	Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig.
50000136	2	ChEBML_39159	Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular muscle in the presence of 1 uM zinterol
50000136	1	ChEBML_37833	Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung tissue in the presence of 0.1 uM metoprolol
50029370	2	ChEMBL_85826 (CHEMBL697664)	Antagonistic activity for Histamine H3 receptor on electrically evoked guinea-pig ileum contraction
50029370	1	ChEMBL_85844 (CHEMBL692952)	Antagonistic activity for Histamine H3 receptor binding in guinea pig
50029372	3	ChEMBL_67052 (CHEMBL677890)	Inhibitory activity against protein tyrosine kinase of Epidermal growth factor receptor was determined
50029372	6	ChEMBL_200374 (CHEMBL806345)	Inhibition of Src tyrosine kinase
50034784	3	ChEMBL_84865 (CHEMBL694554)	Binding affinity towards histamine H1 receptor
50034784	1	ChEMBL_201054 (CHEMBL805830)	In vitro binding affinity towards serotonin 5-HT2A receptor in rat cortical membranes using [3H]ketanserin as radioligand
50034784	5	ChEMBL_138339 (CHEMBL747769)	Binding affinity towards muscarinic receptor
50034784	4	ChEMBL_58622 (CHEMBL666192)	Binding affinity towards dopamine D2 receptor
50029375	1	ChEBML_52047	Inhibitory activity against binding of [3H]LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50029377	1	ChEMBL_79807 (CHEMBL696067)	Compound was tested for inhibitory activity against Human immunodeficiency virus (HIV-1) protease
50029378	6	ChEMBL_208848 (CHEMBL872746)	Binding affinity towards Tachykinin receptor 2 in hamster urinary bladder using [125I]neurokinin A as radioligand; Value ranges from 2.6-11 uM
50029378	2	ChEMBL_209390 (CHEMBL811322)	Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 5.8-14u M
50029378	13	ChEMBL_209391 (CHEMBL811323)	Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]senktide as radioligand; Value ranges from 8.2-9.4 uM
50029378	9	ChEMBL_208849 (CHEMBL816684)	Binding affinity towards Tachykinin receptor 2 in hamster urinary bladder using [125I]neurokinin A as radioligand; Value ranges from 4.6-9.0 uM
50029378	1	ChEMBL_142880 (CHEMBL750230)	Binding affinity towards NK-1 receptor in guinea pig cerebral cortex using [125I]-Bolton-Hunter substance P as radioligand; Value ranges from 7.3-8.8 uM
50029381	1	ChEMBL_4048 (CHEMBL620779)	In vitro 5-lipoxygenase inhibition in guinea pig PMNs was determined based on LTB4 production
50029381	2	ChEMBL_4047 (CHEMBL620778)	In vitro 5-lipoxygenase inhibition in guinea pig PMNs was determined based on 5-hydroxyeicosapentaenoic acid (5-HETE) production
50029388	1	ChEMBL_192889 (CHEMBL795928)	Compound was tested for its inhibitory activity against dog plasma renin
50029390	1	ChEBML_160285	Displacement of [3H]PDBu from PKC alpha expressed in Sf9 cells
50029391	1	ChEBML_79954	Inhibitory concentration against HIV-1 protease
50029393	4	ChEBML_205407	Compound was evaluated for its affinity to guinea pig Tachykinin receptor 1
50029393	2	ChEMBL_205710 (CHEMBL807957)	Compound was evaluated for its affinity, measured in [3H]SP binding assay on human IM9 lymphoblast cultured cell line
50034787	1	ChEBML_92409	Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.
50034787	4	ChEMBL_53590 (CHEMBL665478)	Affinity to delta opioid receptor determined in the presence of [3H]- [D-Pen2,5]enkephalin using membranes prepared from rat cerebrum
50034787	5	ChEMBL_138891 (CHEMBL747883)	Affinity to mu opioid receptor determined in the presence of [3H]- PL 017 using membranes prepared from rat cerebrum
50034787	3	ChEBML_53590	Affinity to delta opioid receptor determined in the presence of [3H]- [D-Pen2,5]enkephalin using membranes prepared from rat cerebrum
50034788	1	ChEMBL_3158 (CHEMBL617803)	Inhibition of 5-HT (1 ug/mL) induced depolarization in rat vagus nerve (5-hydroxytryptamine 3 receptor antagonism)
50034788	5	ChEMBL_3176 (CHEMBL617704)	Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 3 receptor
50029399	2	ChEMBL_36932 (CHEMBL652727)	Binding affinity to Angiotensin II receptor, type 1 in rabbit aorta binding assay
50029403	1	ChEBML_205735	Inhibitory concentration for displacement of [3H]-Substance P (SP) in human IM-9 cells
50029404	1	ChEBML_204581	Inhibitory activity against human prostatic Steroid 5-alpha-reductase
50029406	4	ChEBML_46178	Inhibitory potency against Carnitine Palmitoyltransferase (CPT-II)
50029406	3	ChEMBL_46183 (CHEMBL660927)	Inhibitory potency against carnitine octanoyltransferase (COT)
50029407	2	ChEMBL_70110 (CHEMBL681645)	In vitro inhibitory concentration evaluated against P21ras Farnesyl transferase
50029409	1	ChEBML_66282	Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay
50034789	2	ChEMBL_3239 (CHEMBL618925)	Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand
50029412	1	ChEBML_28168	In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition by incubation with [14C]oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.
50000141	1	ChEBML_61411	Compound was tested for the inhibition of [3H]spiperone binding to dopamine receptor D2
50000141	2	ChEMBL_61411 (CHEMBL673352)	Compound was tested for the inhibition of [3H]spiperone binding to dopamine receptor D2
50004984	1	ChEMBL_1969922 (CHEMBL4602740)	Inhibition of COX2 isolated from rat seminal vesicles assessed as reduction of PGG2 to PGH2 using arachidonic acid substrate preincubated for 15 mins followed by substrate addition
50029424	14	ChEMBL_216637 (CHEMBL821041)	Rate constant against alpha-chymotrypsin
50014247	2	ChEMBL_87717 (CHEMBL857174)	Inhibitory concentration against histone deacetylase HD2 enzyme.
50029632	10	ChEMBL_102097 (CHEMBL710334)	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3
50029427	1	ChEBML_158008	Displacement of [3H]iloprost from Prostaglandin I2 receptor of human platelets
50029431	1	ChEMBL_151707 (CHEMBL760600)	Ability to displace [3H]PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro.
50029431	2	ChEMBL_162887 (CHEMBL768983)	In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets.
50000151	6	ChEBML_62418	Compound was evaluated for in vitro binding affinity towards Dopamine receptor D2 in rat striatum using [3H]- spiperone as radioligand
50000151	2	ChEMBL_1155 (CHEMBL616100)	Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 1A receptor receptor in rat hippocampus using [3H]8-OH-DPAT as radioligand
50000151	5	ChEBML_1154	Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT as radioligand
50000151	1	ChEBML_58651	Compound was evaluated for in vitro binding affinity towards Dopamine receptor D1 in striatum using [3H]- SCH 23390 as radioligand
50029432	2	ChEMBL_151708 (CHEMBL760601)	In vitro ability to displace [3H]PAF from PAF receptor in rabbit platelet membranes
50029432	1	ChEMBL_162886 (CHEMBL768982)	In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets
50000154	7	ChEBML_38603	Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 uM)
50000154	8	ChEMBL_218251 (CHEMBL819219)	In vitro beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucose incorporation into glycogen in isolated rat soleus muscle
50000154	5	ChEBML_39071	In vitro beta adrenergic receptor activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of glycerol release from adipocytes.
50000154	3	ChEMBL_39071 (CHEMBL651142)	In vitro beta adrenergic receptor activity against beta-3 adrenergic receptor in rat epididymal fat pads by stimulation of glycerol release from adipocytes.
50000154	9	ChEMBL_218249 (CHEMBL823902)	In vitro beta-adrenergic activity against beta-1 adrenergic receptor by stimulation of rate of contraction of guinea pig atria
50000154	6	ChEBML_38604	Compound was evaluated for its binding affinity towards beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 uM)
50000154	4	ChEMBL_37534 (CHEMBL648410)	Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol
50029435	1	ChEMBL_36632 (CHEMBL652343)	Tested for its ability to displace the specific binding ligand [125I]-Sar 1,lle8-AlI from rabbit aortic membrane (AT1 receptor)
50029438	1	ChEBML_53439	Compound was tested in vitro for binding affinity towards delta opioid receptor by measuring displacement of [3H]DPDPE from guinea pig brain membranes
50029438	2	ChEBML_92403	Compound was tested in vitro for binding affinity towards kappa opioid receptor by measuring displacement of [3H]EKC from guinea pig brain membranes
50029438	3	ChEBML_136093	Compound was tested in vitro for binding affinity towards mu opioid receptor by measuring displacement of [3H]DAGO from guinea pig brain membranes
50041008	1	ChEMBL_90007 (CHEMBL701680)	Compound was evaluated for the inhibition of platelet aggregation, assessed turbidimetrically in citreated human platelet rich plasma (PRP)
50029442	3	ChEMBL_140828 (CHEMBL750780)	Binding affinity against Ins(1,4,5)P3 receptor in swiss 3T3 cells
50029445	2	ChEMBL_216597 (CHEMBL821388)	Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells
50000158	1	ChEMBL_152468 (CHEMBL762192)	Compound was evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist
50000158	6	ChEMBL_58698 (CHEMBL672043)	Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes 3[H]spiperone, a dopamine antagonist
50000158	4	ChEMBL_62422 (CHEMBL674826)	Evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist
50000158	2	ChEMBL_58486 (CHEMBL672689)	Compound was evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist
50000158	3	ChEBML_58486	Compound was evaluated for its ability to displace tritiated receptor ligand in rat striatal membranes [3H]ADTN, a dopamine agonist
50000160	2	ChEBML_146596	Inhibition of [3H]DPDPE to opioid receptor delta of rat fore brain membranes was determined
50029449	1	ChEMBL_215640 (CHEMBL820958)	Displacement of [3H]RTX binding from vanilloid receptor
50000160	1	ChEBML_146549	Inhibition of [3H]DAMGO to opioid receptor mu of rat fore brain membranes was determined
50000160	4	ChEBML_145346	Inhibition of [3H]- bremazocine to opioid receptor kappa of guinea pig cerebral membranes was determined
50029450	1	ChEMBL_70111 (CHEMBL681646)	Tested for inhibitory activity against rat brain p21ras Ras Farnesyltransferase (FTase)
50029451	1	ChEMBL_142887 (CHEMBL747298)	Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells
50029452	2	ChEBML_36628	Binding affinity against AT1 receptor in rabbit aorta
50029453	2	ChEBML_99992	Inhibition of [3H]LTD4 binding to LTD4 receptor in guinea pig lung membranes
50029454	1	ChEBML_99989	Compound was tested for the inhibition of [3H]leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes
50029455	14	ChEMBL_99988 (CHEMBL710513)	Displacement of [3H]LTD4 from receptor in guinea pig lung membranes
50029455	1	ChEBML_155153	Displacement of [3H]ligand from platelet activating factor (PAF) receptor in rabbit platelets
50029455	11	ChEBML_99988	Displacement of [3H]LTD4 from receptor in guinea pig lung membranes
50029456	3	ChEBML_65795	Binding affinity against ETA receptor in porcine aortic smooth muscle membrane was determined
50029459	2	ChEMBL_90978 (CHEMBL696525)	Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Ki
50029459	4	ChEMBL_90990 (CHEMBL698038)	Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon
50029456	1	ChEMBL_65794 (CHEMBL677975)	Binding affinity against ETA receptor in porcine aortic smooth muscle membrane
50029459	1	ChEBML_90989	Compound was tested for inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Ki
50034794	1	ChEBML_208850	Binding affinity towards Tachykinin receptor 2 using [125I]iodohistidyl-NKA (0.1 nM)) as radioligand
50034798	3	ChEBML_40415	Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2
50034798	1	ChEMBL_40414 (CHEMBL652629)	Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae P99
50034798	5	ChEMBL_40415 (CHEMBL652630)	Inhibitory activity against beta-Lactamase enzyme derived from Enterobacter cloacae SC 12368 E-2
50029469	2	ChEMBL_140325 (CHEMBL748576)	Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor
50029469	1	ChEBML_140325	Affinity measured by using [3H]5,7-dichlorokynurenic acid (DCKA) for the glycine binding site of NMDA receptor
50029473	1	ChEBML_28006	Inhibitory activity against acyl-CoA: cholesterol acyltransferase (ACAT) in microsomes from monkey liver
50029473	2	ChEMBL_28196 (CHEMBL637689)	Inhibitory activity against acyl-CoA: cholesterol acyltransferase (ACAT) in microsomes from cholesterol-fed rabbit intestinal mucosa
50029475	3	ChEMBL_146645 (CHEMBL754929)	Ability to displace [3H][D-Ser2,Leu5]enkephalin-Thr ([3H]DSLET) from Opioid receptor delta 1 in rat brain
50029475	1	ChEMBL_138878 (CHEMBL747870)	Ability to displace [3H][D-Ala2,MePhe4,Gly-ol5]enkephalin ([3H]DAGO) from mu opioid receptors in rat brain
50029475	2	ChEBML_146639	Compound was evaluated for its binding affinity to Opioid receptor delta 1 in rat brain
50029475	5	ChEMBL_138877 (CHEMBL747869)	Compound was evaluated for its binding affinity to mu opioid receptors in rat brain
50029475	4	ChEBML_138878	Ability to displace [3H][D-Ala2,MePhe4,Gly-ol5]enkephalin ([3H]DAGO) from mu opioid receptors in rat brain
50029476	1	ChEBML_98639	Inhibition of [3H]LTD4 binding on guinea-pig lung membranes
50029476	3	ChEMBL_98639 (CHEMBL711839)	Inhibition of [3H]LTD4 binding on guinea-pig lung membranes
50029477	2	ChEBML_71646	Inhibition of human recombinant 92 kDa gelatinase MMP-9 at 100 uM
50029482	1	ChEBML_146725	Inhibitory activity against Opioid receptor delta 1 binding to bovine striatal membrane
50029482	2	ChEBML_146100	Inhibitory activity against Opioid receptor kappa1 binding to bovine striatal membrane
50029482	3	ChEBML_146693	Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO expressed as Kd
50029485	3	ChEBML_159320	In vitro inhibition of HIV-1 protease.
50029485	1	ChEBML_159320	In vitro inhibition of HIV-1 protease.
50029485	4	ChEMBL_159320 (CHEMBL769373)	In vitro inhibition of HIV-1 protease.
50029485	2	ChEMBL_157712 (CHEMBL763386)	Inhibition constant against HIV protease was determined
50034800	6	ChEBML_208851	Compound was tested for binding affinity towards Tachykinin receptor 2 binding sites in membranes prepared from hamster urinary bladder using [125I]neurokinin A as radioligand
50034800	5	ChEMBL_209392 (CHEMBL811324)	Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I][MePhe7]-NKB as radioligand
50034800	4	ChEMBL_209543 (CHEMBL872641)	Compound was tested for binding affinity against human Tachykinin receptor 3 in CHO cells
50034800	8	ChEBML_209393	Compound was tested for binding affinity towards Tachykinin receptor 3 binding sites in guinea pig cortical membranes using [125I]-[MePhe7]-Neurokinin B as radioligand
50029489	2	ChEMBL_70109 (CHEMBL681644)	Inhibition of farnesyl transferase (FTase) of rat brain
50029491	2	ChEBML_140184	Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement assay in rat heart membranes
50029491	1	ChEBML_138955	Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in rat hippocampal membranes
50029492	2	ChEMBL_80145 (CHEMBL856189)	Tested for the inhibition towards HIV-reverse transcriptase
50029492	1	ChEBML_80145	Tested for the inhibition towards HIV-reverse transcriptase
50029494	1	ChEBML_28195	In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]oleolyl-CoA
50029496	5	ChEBML_160100	Inhibition of Human Protein kinase C alpha
50029498	3	ChEMBL_70917 (CHEMBL684417)	Compound was tested for its ability to displace [125I]glucagon from the glucagon receptor
50029499	1	ChEBML_80573	Inhibitory activity was evaluated in vitro against HIV- I reverse transcriptase (RT)
50034802	2	ChEBML_138742	Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain
50034802	3	ChEBML_53445	Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain
50034802	1	ChEBML_92408	Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain
50029502	2	ChEBML_40038	Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas
50029502	3	ChEMBL_40187 (CHEMBL652234)	Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex
50029508	1	ChEBML_155171	Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)
50034803	2	ChEMBL_201928 (CHEMBL808215)	Inhibitory activity against HepG2 Squalene Synthase (SQS)
50034803	1	ChEBML_201928	Inhibitory activity against HepG2 Squalene Synthase (SQS)
50029510	4	ChEMBL_98502 (CHEMBL709164)	Binding affinity against human neutrophil Receptor.
50029510	3	ChEMBL_98500 (CHEMBL707320)	Binding affinity against Guinea pig membrane LTB4 Receptor.
50029510	1	ChEMBL_98499 (CHEMBL874152)	Binding affinity against Guinea pig membrane LTB4 Receptor
50029510	6	ChEBML_88184	LTB4-induced up-regulation of CD11b/CD18 in human neutrophils
50029512	4	ChEBML_161133	Inhibition of Protein kinase C eta
50029512	3	ChEBML_160967	Inhibition of Protein kinase C epsilon
50029512	9	ChEMBL_160274 (CHEMBL767035)	Inhibition of Protein kinase C alpha
50029512	6	ChEBML_161284	Inhibition of Protein kinase C gamma
50029512	8	ChEBML_160274	Inhibition of Protein kinase C alpha
50029512	1	ChEMBL_160623 (CHEMBL768107)	Inhibition of Protein kinase C beta 2
50029512	10	ChEMBL_160471 (CHEMBL761767)	Inhibition of Protein kinase C beta 1
50029512	7	ChEBML_160782	Inhibition of Protein kinase C delta
50029512	11	ChEMBL_161133 (CHEMBL767401)	Inhibition of Protein kinase C eta
50029512	5	ChEBML_160471	Inhibition of Protein kinase C beta 1
50029512	2	ChEBML_161467	Inhibition of Protein kinase C zeta
50029513	1	ChEBML_161258	Inhibitory activity against human rhinovirus-14 Protease 3C
50029514	5	ChEMBL_154799 (CHEMBL761678)	Inhibition of porcine Pancreatic elastase without pre-incubation
50029514	2	ChEBML_154799	Inhibition of porcine Pancreatic elastase without pre-incubation
50029514	3	ChEBML_154799	Inhibition of porcine Pancreatic elastase without pre-incubation
50029514	4	ChEMBL_154797 (CHEMBL761676)	Inhibition of porcine Pancreatic elastase with 10 min pre-incubation
50029515	4	ChEMBL_40228 (CHEMBL654001)	Tested for the ability to inhibit Beta-lactamase of Bacillus cereus (class A enzyme) with 10 minutes pre-incubation
50029515	2	ChEBML_40228	Tested for the ability to inhibit Beta-lactamase of Bacillus cereus (class A enzyme) with 10 minutes pre-incubation
50029515	3	ChEMBL_40230 (CHEMBL654129)	Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without pre-incubation
50029515	1	ChEBML_40228	Tested for the ability to inhibit Beta-lactamase of Bacillus cereus (class A enzyme) with 10 minutes pre-incubation
50034804	5	ChEMBL_65803 (CHEMBL679706)	Inhibition of endothelin (ET-A) binding to porcine heart membranes 
50029524	2	ChEBML_51690	Inhibitory activity against human COX-1 expressed in baculovirus infected Sf9 cells
50004984	2	ChEMBL_1969934 (CHEMBL4602752)	Inhibition of human carbonic anhydrase 2
50004984	3	ChEMBL_1969935 (CHEMBL4602753)	Inhibition of human carbonic anhydrase 4
50004984	4	ChEMBL_1969933 (CHEMBL4602751)	Inhibition of human carbonic anhydrase 1
50004984	5	ChEMBL_1969936 (CHEMBL4602754)	Antagonist activity at human cannabinoid CB1 receptor
50004984	6	ChEMBL_1969937 (CHEMBL4602755)	Antagonist activity at cannabinoid CB1 receptor (unknown origin)
50004984	7	ChEMBL_1969938 (CHEMBL4602756)	Antagonist activity at human cannabinoid CB2 receptor
50004984	8	ChEMBL_1969940 (CHEMBL4602758)	Antagonist activity at 5-HT6 receptor (unknown origin)
50004984	9	ChEMBL_1969946 (CHEMBL4602764)	Inhibition of beta-glucuronidase (unknown origin)
50004985	1	ChEMBL_1969948 (CHEMBL4602766)	Inhibition of Glycogen synthase kinase-3 beta (unknown origin)
50004985	2	ChEMBL_1969949 (CHEMBL4602767)	Inhibition of Glycogen synthase kinase-3 beta (unknown origin) expressing CHO-IR cells
50004985	3	ChEMBL_1969952 (CHEMBL4602770)	Inhibition of full length recombinant His-tagged human Glycogen synthase kinase-3 beta expressed in Baculovirus expression system
50029527	1	ChEBML_161128	Inhibition of human protein kinase C eta
50029527	7	ChEMBL_160465 (CHEMBL761761)	Inhibition of human Protein kinase C beta 1
50029527	5	ChEBML_160108	Inhibition of human Protein kinase C alpha
50029527	9	ChEMBL_160616 (CHEMBL768100)	Inhibition of human Protein kinase C beta 2
50034805	11	ChEBML_161127	Inhibition of human Protein Kinase C eta
50034805	6	ChEMBL_161127 (CHEMBL770098)	Inhibition of human Protein Kinase C eta
50034805	9	ChEBML_160110	Inhibition of human Protein kinase C alpha
50034805	7	ChEMBL_160618 (CHEMBL768102)	Inhibition of human Protein kinase C beta 2
50034805	4	ChEMBL_160620 (CHEMBL768104)	Inhibition of human Protein kinase C beta 2
50034805	13	ChEMBL_160467 (CHEMBL761763)	Inhibition of human Protein kinase C beta 1
50034805	5	ChEBML_160618	Inhibition of human Protein kinase C beta 2
50034806	1	ChEMBL_216281 (CHEMBL819887)	Compound was tested for inhibitory activity against alpha-L-fucosidase from bovine epididymis
50034806	2	ChEMBL_216279 (CHEMBL819885)	Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney
50004985	4	ChEMBL_1969953 (CHEMBL4602771)	Inhibition of Glycogen synthase kinase-3 beta (unknown origin) after 30 mins by Kinase-Glo assay
50004985	5	ChEMBL_1969954 (CHEMBL4602772)	Inhibition of Glycogen synthase kinase-3 beta in human SH-SY5Y cells after 2 hrs by ELISA
50029532	1	ChEBML_28189	In vitro inhibitory activity against ACAT was determined in rabbit intestinal microsome from cholesterol-fed animals
50029533	1	ChEBML_80096	Inhibitory activity against HIV reverse transcriptase (HIV RT)
50029541	1	ChEBML_144602	In vitro inhibitory activity against neutral endopeptidase (NEP)
50029543	1	ChEBML_34652	Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay
50029544	1	ChEBML_195359	Inhibitory activity against HIV-1 Reverse transcriptase (RT) was determined
50029545	1	ChEBML_28486	In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.
50029545	3	ChEBML_28027	Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.
50029545	2	ChEMBL_28485 (CHEMBL646056)	In vitro inhibition of ACYL CoA:Cholesterol Acyltransferase (ACAT) in rat hepatic microsomes was measured by using AIV assay
50000171	1	ChEBML_158010	IC50 value was evaluated by measuring the displacement of [3H]iloprost from Prostaglandin I2 receptor
50000174	3	ChEBML_98636	Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil
50000174	1	ChEBML_140818	Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated myeloperoxidase release from human neutrophil
50000174	5	ChEMBL_98636 (CHEMBL711836)	Compound was evaluated for the inhibition of serum-opsonized zymosan stimulated LTC4/D4 release from human neutrophil
50000176	1	ChEBML_208650	Inhibition of Tachykinin receptor 1 of rat forebrain tissue
50000178	3	ChEBML_70046	potent inhibitor of GAR Tfase obtained from porcine
50000178	2	ChEMBL_68381 (CHEMBL678790)	Compound was evaluated for its binding affinity against hog liver Folyl-polyglutamate synthase
50000178	1	ChEMBL_68384 (CHEMBL678793)	The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase
50000178	4	ChEMBL_68676 (CHEMBL682447)	Potent inhibitor of Folyl-polyglutamate synthase obtained from porcine
50029546	2	ChEBML_28026	Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture
50029546	1	ChEBML_28360	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes
50029547	3	ChEBML_28488	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes was measured by using AIV assay
50029549	2	ChEMBL_47817 (CHEMBL662559)	Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]CCK from guinea pig cortical membranes
50029549	1	ChEBML_47817	Binding affinity towards Cholecystokinin type B receptor was measured by displacement of [125I]CCK from guinea pig cortical membranes
50041010	4	ChEMBL_140116 (CHEMBL858424)	Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart
50041010	3	ChEMBL_139968 (CHEMBL749023)	Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates
50041010	6	ChEMBL_139265 (CHEMBL745073)	Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic acetylcholine receptor M4 in NG 108-15 Cell
50029554	2	ChEBML_28181	Inhibition of Acyl-CoA: Cholesterol Acyltransferase (ACAT) in intestinal microsomes of cholesterol fed rabbits
50029554	4	ChEMBL_28173 (CHEMBL638579)	Compound at 5 uM concentration was tested in vitro for inhibition of Acyl-CoA: Cholesterol Acyltransferase (ACAT) in intestinal microsomes of cholesterol fed rabbits
50029555	2	ChEBML_51681	In vitro inhibitory activity against human recombinant cyclooxygenase-1 enzyme
50029556	4	ChEBML_1651	Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor in guinea pig substantia nigra
50029556	3	ChEBML_1635	Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]5-HT radioligand
50034811	4	ChEMBL_40191 (CHEMBL652238)	Inhibition of binding of [125I]-PD 142251 to CCK-B receptor was determined
50034811	2	ChEMBL_40189 (CHEMBL652236)	The equilibrium binding constant to guinea pig cerebral cortex membranes was measured
50034811	8	ChEMBL_40190 (CHEMBL652237)	The equilibrium binding constant to pig cerebral cortex membranes was measured
50034812	4	ChEMBL_35570 (CHEMBL648268)	Inhibitory activity against rabbit lung angiotensin-converting enzyme(ACE)
50034812	1	ChEMBL_144461 (CHEMBL755108)	Inhibitory activity against rabbit kidney neutral endopeptidase (NEP)
50034812	8	ChEMBL_98352 (CHEMBL706513)	Inhibitory activity against LTA 4 hydrolase in aminopeptidase assay
50034812	5	ChEMBL_35569 (CHEMBL648267)	Inhibitory activity against rabbit lung angiotensin-converting enzyme (ACE)
50034812	6	ChEMBL_144462 (CHEMBL755109)	Inhibitory activity against rabbit kidney neutral endopeptidase (NEP)
50034812	7	ChEMBL_98353 (CHEMBL706514)	Inhibitory activity against LTA 4 hydrolase in epoxide hydrolase assay
50029572	1	ChEBML_101737	Inhibition of semi-purified human lung fibroblast collagenase
50029577	1	ChEMBL_105568 (CHEMBL709765)	Compound was tested for inhibitory binding activity towards metabotropic glutamate receptor (mGluRla) expressed in LLC-PK1 cells
50029577	2	ChEBML_105568	Compound was tested for inhibitory binding activity towards metabotropic glutamate receptor (mGluRla) expressed in LLC-PK1 cells
50034813	2	ChEMBL_199843 (CHEMBL807513)	Ability to inhibit the binding to Selectin E immobilized on SPA beads of radiolabeled HL-60 cell membrane was determined
50034813	1	ChEBML_199843	Ability to inhibit the binding to Selectin E immobilized on SPA beads of radiolabeled HL-60 cell membrane was determined
50041012	3	ChEMBL_1012 (CHEMBL616215)	Ability to bind to 5-hydroxytryptamine 1A receptor subtype from cloned human expressed in Ha7 cells
50041012	4	ChEMBL_1629 (CHEMBL616515)	Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra
50029581	1	ChEBML_35407	In vitro binding affinity of compound was determined against Angiotensin II receptor, type 2 in rat adrenal medulla preparation
50029583	6	ChEMBL_69851 (CHEMBL680441)	In vitro inhibition of bovine farnesyl transferase
50029586	1	ChEBML_80142	Inhibitory activity against HIV-1 reverse transcriptase
50029592	2	ChEBML_92940	Inhibition of binding to L-type [Ca2+] channel
50029593	3	ChEBML_39180	Agonistic activity against Beta-1 adrenergic receptor in guinea pig atrium
50029596	2	ChEBML_209008	Inhibition constant for displacement of [3H]NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)
50029600	1	ChEBML_155158	Tested in vitro for antagonistic activity to displace [3H]PAF from rabbit platelet membrane PAF receptors
50000182	1	ChEMBL_205719 (CHEMBL807965)	Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand
50000182	3	ChEBML_208852	Inhibitory activity against [125I]neurokinin binding to Tachykinin receptor 2 in hamster urinary bladder
50000182	2	ChEBML_209395	Inhibitory activity against Tachykinin receptor 3 in guinea pig cortex [125I]-BH-eledoisin as radioligand
50029601	3	ChEMBL_155163 (CHEMBL761901)	Inhibition of platelet activating factor(PAF) by binding to PAF receptor
50029602	1	ChEBML_155151	Binding affinity for Platelet Activating Factor receptor using [3H]PAF in rabbit platelet membranes
50029602	2	ChEMBL_155151 (CHEMBL760191)	Binding affinity for Platelet Activating Factor receptor using [3H]PAF in rabbit platelet membranes
50029603	2	ChEBML_158918	Inhibitory activity against human recombinant Prostaglandin G/H synthase 1
50029607	2	ChEBML_53437	Compound was tested for its ability to displace [3H]Cl-DPDPE from delta opioid receptor in hartley guinea pig brain membrane in the presence of 100 nM of DPDPE
50029607	5	ChEMBL_145997 (CHEMBL750591)	Compound was tested for its ability to displace bremazocine from Opioid receptor kappa 2 in hartley guinea pig brain membrane
50029607	3	ChEBML_136091	Compound was tested for its ability to displace [3H]DAMGO from mu opioid receptor in hartley guinea pig brain membrane in the presence of 100 nM of DAMGO
50029607	4	ChEMBL_145922 (CHEMBL752590)	Compound was tested for its ability to displace [3H]U-69593 from Opioid receptor kappa 1 in hartley guinea pig brain membrane in the presence of 100 nM of U-69,593
50029609	3	ChEMBL_71524 (CHEMBL682561)	Compound was tested for its binding affinity against gastrin receptor in guinea pig gastric glands
50029613	1	ChEBML_49403	Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKA receptor in guinea pig pancreatic tissue
50029613	2	ChEBML_49412	Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKB receptor in guinea pig cortical tissue
50000194	3	ChEBML_209439	Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets
50000194	1	ChEMBL_209575 (CHEMBL879433)	Inhibition of the thromboxane A2 receptor assayed by binding to guinea pig platelets using [3H]U-46619 as radioligand
50000194	6	ChEBML_209768	Inhibitory effect against thromboxane A2 synthase binding to bovine platelets
50000194	5	ChEBML_207658	Compound was tested for its inhibitory activity against TXA2 synthase obtained from bovine platelet microsomes
50000194	8	ChEMBL_207638 (CHEMBL811620)	Binding affinity at TXA2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets
50000194	9	ChEMBL_209768 (CHEMBL815558)	Inhibitory effect against thromboxane A2 synthase binding to bovine platelets
50000194	4	ChEMBL_209767 (CHEMBL815557)	Compound was tested for its inhibitory activity against Thromboxane A2 synthase obtained from bovine platelet microsomes
50000194	7	ChEMBL_209574 (CHEMBL811275)	Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets at 0.1 uM
50000194	2	ChEMBL_209439 (CHEMBL872715)	Compound was tested for its binding affinity at Thromboxane A2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets
50036040	3	ChEMBL_29665 (CHEMBL875664)	Concentration required to inhibit the activity of K+ stimulated gastric ATPase
50036041	16	ChEMBL_159302 (CHEMBL769355)	Inhibition of HIV-1 protease in 5%DMSO
50036041	5	ChEBML_154154	Inhibitory concentration against pepsin
50000195	1	ChEBML_209762	Compound was tested for its binding affinity at Thromboxane A2/ Prostaglandin H2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets
50029615	2	ChEMBL_164930 (CHEMBL770924)	Inhibitory effect on PAF induced platelets aggregation in rabbit
50029615	1	ChEBML_164930	Inhibitory effect on PAF induced platelets aggregation in rabbit
50029618	2	ChEMBL_68428 (CHEMBL682874)	Inhibition of Gamma-aminobutyric acid type B receptor
50000195	2	ChEMBL_209762 (CHEMBL815553)	Compound was tested for its binding affinity at Thromboxane A2/ Prostaglandin H2 receptor by measuring its ability to displace [3H]U-46619 from guinea pig platelets
50029623	1	ChEBML_99860	Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes (different expt)
50029623	2	ChEMBL_99860 (CHEMBL706930)	Concentration required for inhibition of binding of [3H]-LTD4 to guinea pig lung membranes (different expt)
50029623	3	ChEMBL_99859 (CHEMBL706929)	Concentration required for inhibition of binding of [3H]LTD4 to guinea pig lung membranes
50029624	4	ChEBML_28483	Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholesterol-fed rats
50000203	3	ChEBML_195788	In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.
50000203	2	ChEBML_222284	In vitro inhibitory activity was measured on porcine pepsin.
50000203	4	ChEBML_44973	In vitro inhibitory activity was measured on bovine cathepsin D
50000203	1	ChEMBL_222284 (CHEMBL823045)	In vitro inhibitory activity was measured on porcine pepsin.
50029624	2	ChEMBL_28182 (CHEMBL639299)	Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in intestinal microsomes isolated from cholesterol-fed rabbits
50029624	3	ChEBML_28182	Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in intestinal microsomes isolated from cholesterol-fed rabbits
50029625	1	ChEBML_28484	Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholesterol-fed rats was determined
50029628	1	ChEBML_219643	Binding affinity for human leukocyte elastase (HLE); Kreact/Kinact
50029629	1	ChEBML_86691	Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)
50044074	2	ChEMBL_1333884 (CHEMBL3231773)	Inhibition of human cytoplasmic thymidine kinase
50044074	3	ChEMBL_1333885 (CHEMBL3231774)	Inhibition of human mitochondrial thymidine kinase
50044074	4	ChEMBL_1333889 (CHEMBL3231778)	Competitive inhibition of thymidine kinase in mouse Ehrlich's ascites cells
50044075	1	ChEMBL_1337235 (CHEMBL3240643)	Antagonist activity at human OX1 receptor assessed as Ca2+ flux by FLIPR assay
50029630	1	ChEBML_86695	Evaluated for inhibitory activity against Human leukocyte elastase (HLE)
50000208	3	ChEBML_29418	Binding affinity towards adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes
50044075	2	ChEMBL_1337236 (CHEMBL3240644)	Inhibition of CYP3A4 (unknown origin)
50000208	2	ChEMBL_29419 (CHEMBL643391)	Binding affinity towards Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes
50000208	1	ChEMBL_29417 (CHEMBL643389)	Binding affinity towards Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes
50044075	3	ChEMBL_1337232 (CHEMBL3240640)	Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay
50000209	1	ChEBML_148909	Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver
50000213	1	ChEMBL_1843 (CHEMBL616814)	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]mesulergine as radioligand
50000213	6	ChEBML_1631	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand
50000213	3	ChEBML_840	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand
50029630	5	ChEMBL_86695 (CHEMBL694286)	Evaluated for inhibitory activity against Human leukocyte elastase (HLE)
50000213	7	ChEMBL_1631 (CHEMBL616517)	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand
50000213	2	ChEBML_1842	Binding affinity towards 5-hydroxytryptamine 1C receptor using [3H]mesulergine as radioligand
50000215	1	ChEBML_31159	Inhibitory activity against yeast alcohol dehydrogenase
50029633	2	ChEBML_105391	Inhibition of human Matrix metalloprotease-9
50034817	4	ChEMBL_40427 (CHEMBL652642)	Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2
50034817	2	ChEBML_40141	Compound was evaluated for competitive [3H]bradykinin binding to guinea pig ileum homogenates
50034819	2	ChEMBL_40431 (CHEMBL652645)	Tested for binding affinity against human IMR-90 Bradykinin receptor B2
50029640	4	ChEMBL_43649 (CHEMBL656843)	In vitro inhibitory activity against human erythrocyte Calpain 1
50029647	4	ChEMBL_201937 (CHEMBL809124)	The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 8.8
50029647	1	ChEMBL_201936 (CHEMBL809123)	The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 7.4
50029647	3	ChEBML_201937	The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 8.8
50000219	2	ChEMBL_54094 (CHEMBL668425)	Compound was evaluated for the inhibition of recombinant human Dihydrofolate reductase (DHFR); no inhibition
50000219	1	ChEBML_69922	Compound was evaluated for the inhibition of Glycinamide ribonucleotide formyl transferase (GAR) with formyl (6R) tetrahydrofolate as substrate
50000219	6	ChEBML_209480	Compound was evaluated for the inhibition of recombinant human thymidylate synthase
50000219	7	ChEBML_28407	Compound was evaluated for the inhibition of Aminoimidazole carboxamide ribonucleotide formyl transferase (AICAR) with (6R) tetrahydrofolate as substrate
50000219	4	ChEMBL_54891 (CHEMBL666944)	Compound was evaluated for the inhibition of Lactobacillus casei DHFR
50000219	5	ChEBML_209105	Compound was evaluated for the inhibition of Lactobacillus casei thymidylate synthase
50000219	3	ChEBML_54094	Compound was evaluated for the inhibition of recombinant human Dihydrofolate reductase (DHFR); no inhibition
50029649	4	ChEMBL_195377 (CHEMBL802414)	Inhibitory activity against K103N/Y181C double mutant of HIV-1 reverse transcriptase
50029649	1	ChEMBL_196368 (CHEMBL806001)	Inhibitory activity against HIV-2 reverse transcriptase
50029649	3	ChEBML_195377	Inhibitory activity against K103N/Y181C double mutant of HIV-1 reverse transcriptase
50029649	5	ChEMBL_195376 (CHEMBL802413)	Inhibitory activity against K103N mutant of HIV-1 reverse transcriptase
50029650	1	ChEBML_160268	Inhibition of Protein kinase C alpha
50029652	2	ChEMBL_195648 (CHEMBL795966)	Transcriptional activation of retinoic acid receptor RAR beta
50029654	2	ChEMBL_29670 (CHEMBL636696)	Compound was evaluated for its ability to inhibit K+-stimulated ATPase activity
50034823	4	ChEMBL_42607 (CHEMBL654172)	In vitro ability to displace [125 I]CGRP from Calcitonin gene-related peptide type receptor at 4 degrees Celsius in rabbit porcine c+i
50034823	2	ChEMBL_42605 (CHEMBL654170)	In vitro ability to displace [125 I]CGRP from Calcitonin gene-related peptide type receptor at 4 degrees Centigrade in rabbit lung
50034823	3	ChEMBL_42606 (CHEMBL654171)	In vitro ability to displace [125 I]CGRP from Calcitonin gene-related peptide type receptor at 4 degrees Celsius in rabbit lung; value ranges from (2-5)
50034825	1	ChEMBL_44154 (CHEMBL653305)	Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay
50029659	2	ChEMBL_212172 (CHEMBL819020)	Inhibitory activity against trypsin mediated Tyr-Gly-Aer-p- nitroaniline
50029659	3	ChEMBL_212169 (CHEMBL819017)	Inhibitory activity against trypsin
50029660	6	ChEMBL_64015 (CHEMBL671536)	Ability to block endothelin-1 (ET-1) stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells (AARA) expressing recombinant rat endothelin B (ETB) receptor
50029660	1	ChEBML_63524	Binding affinity in Chinese hamster ovary (CHO) cells stably transfected with human endothelin B (ETB) receptor
50029660	5	ChEMBL_64016 (CHEMBL671537)	Ability to block sarafotoxin-6c (SRTX-6c) stimulated arachidonic acid release in chinese hamster ovary (CHO) cells expressing recombinant rat endothelin B (ETB) receptor
50034826	2	ChEMBL_159887 (CHEMBL769532)	Inhibition of prolidase from swine kidney at a pH 6
50000222	2	ChEBML_50556	Inhibition of Cytochrome P450 19A1
50000222	1	ChEMBL_50686 (CHEMBL663357)	Inhibition of cytochrome P450 19A1
50029664	2	ChEBML_151697	In vitro affinity for human PAF receptor on platelet membranes using [3H]PAF displacement.
50000222	4	ChEMBL_50556 (CHEMBL660334)	Inhibition of Cytochrome P450 19A1
50029664	3	ChEMBL_151697 (CHEMBL880989)	In vitro affinity for human PAF receptor on platelet membranes using [3H]PAF displacement.
50029664	1	ChEBML_3952	In vitro inhibition of 5-lipoxygenase in RBL-2H3 (Rat basophilic leukemia) cells.
50029664	4	ChEMBL_3952 (CHEMBL875091)	In vitro inhibition of 5-lipoxygenase in RBL-2H3 (Rat basophilic leukemia) cells.
50029665	12	ChEMBL_1998 (CHEMBL617091)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor alpha was determined
50029665	29	ChEMBL_2217 (CHEMBL617163)	Compound was tested for its affinity towards 5-hydroxytryptamine 2 receptor
50029665	30	ChEMBL_33305 (CHEMBL646158)	Compound was tested for its affinity towards Alpha-1 adrenergic receptor
50029665	31	ChEMBL_2041 (CHEMBL616839)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor beta was determined
50029665	18	ChEMBL_198202 (CHEMBL799821)	Binding affinity towards cloned human 5-hydroxy tryptamine 1A (5-HT1A) receptor was determined
50029665	28	ChEBML_1659	Binding affinity towards guinea pig 5-hydroxytryptamine 1D receptor was determined
50029665	3	ChEMBL_928 (CHEMBL615776)	Binding affinity towards cloned human 5-hydroxytryptamine 1A receptor was determined
50029665	1	ChEBML_2037	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 0.24-0.55
50029665	8	ChEMBL_198197 (CHEMBL799125)	Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells
50029665	32	ChEMBL_198198 (CHEMBL799817)	Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; value ranges from 110-250
50029665	22	ChEMBL_201049 (CHEMBL803826)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1D-beta receptor in CHO-K1 cells
50041014	5	ChEMBL_201060 (CHEMBL805836)	Binding affinity towards 5-HT2A receptor of rat tail artery
50048386	1	ChEBML_140118	Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M2) in rat heart homogenates
50000224	2	ChEMBL_34834 (CHEMBL648768)	Compound was evaluated for binding affinity against AT1 receptor in rat liver
50000224	1	ChEBML_34834	Compound was evaluated for binding affinity against AT1 receptor in rat liver
50048386	2	ChEBML_139257	Inhibition of binding of [3H]N-methylscopolamine to Muscarinic acetylcholine receptor M4 in NG 108-15 cell homogenates
50029672	1	ChEBML_37420	Tested for competitive inhibitory activity against beta-Glucosidase
50034827	4	ChEBML_2977	Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortex
50034827	1	ChEBML_62253	Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand in rat striatum
50034827	2	ChEBML_3342	Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum
50034827	5	ChEMBL_3342 (CHEMBL619042)	Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum
50042155	2	ChEMBL_122665 (CHEMBL732795)	Compound was tested for in vitro motilin receptor binding affinity after treatment with hydrochloric acid solution (pH 2.5)
50042155	3	ChEMBL_122664 (CHEMBL732794)	Compound was tested for in vitro motilin receptor binding affinity
50042155	1	ChEBML_122664	Compound was tested for in vitro motilin receptor binding affinity
50029677	1	ChEBML_158593	In vitro inhibitory activity against constitutive form of human recombinant Prostaglandin G/H synthase 1
50029677	4	ChEMBL_51674 (CHEMBL664167)	In vitro inhibitory activity against constitutive form of human recombinant cyclooxygenase (COX-1)
50029678	1	ChEBML_99991	In vitro inhibitory activity against leukotriene D4 receptor
50029678	4	ChEMBL_99655 (CHEMBL704421)	In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis
50029678	5	ChEMBL_99836 (CHEMBL709865)	In vitro antagonist activity against leukotriene B4 (LTB4) receptor in [3H]-LTB4 human neutrophil receptor binding assay
50029678	6	ChEMBL_99990 (CHEMBL710515)	In vitro inhibitory activity against human leukotriene D4 (LTD4)
50029684	2	ChEBML_51697	Inhibitory activity against COX-1 from ram seminal vesicles
50029689	2	ChEMBL_154779 (CHEMBL873410)	Bimolecular rate constant (ki) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate
50029689	1	ChEBML_154778	Dissociation constant (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate
50000229	4	ChEMBL_50208 (CHEMBL663301)	The compound was tested in vitro for inhibition of specific [3H]propionyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membranes
50029690	3	ChEMBL_28175 (CHEMBL638581)	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit artery.
50000229	3	ChEBML_50207	The compound was tested in vitro for inhibition of specific [3H]propionyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membranes
50000229	1	ChEMBL_47638 (CHEMBL875695)	The compound was tested in vitro for inhibition of specific [3H]propionyl-CCK-8 binding to Cholecystokinin type A receptor in rat pancreatic membranes
50000229	2	ChEBML_47804	Inhibition of [3H]propionyl-CCK-8 binding to Cholecystokinin type B receptor in bovine striatum
50029690	4	ChEMBL_28177 (CHEMBL638583)	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit liver.
50029690	5	ChEMBL_28176 (CHEMBL638582)	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit intestine.
50029690	8	ChEMBL_28174 (CHEMBL638580)	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rabbit adrenal.
50029690	6	ChEMBL_28011 (CHEMBL641210)	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from THP-1 cells.
50029691	5	ChEMBL_48442 (CHEMBL662107)	Ability to displace [125I]CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain
50004544	3	ChEMBL_2263634	Inhibition of recombinant SHP2 (unknown origin)
50034832	1	ChEBML_140877	In vitro inhibitory activity against neutral endopeptidase (NEP) from rat kidney
50034832	3	ChEMBL_144604 (CHEMBL751023)	In vitro inhibition of neutral endopeptidase from rat kidney.
50034832	2	ChEMBL_140877 (CHEMBL752508)	In vitro inhibitory activity against neutral endopeptidase (NEP) from rat kidney
50029696	2	ChEBML_158924	Inhibitory activity against human recombinant Prostaglandin G/H synthase 1 expressed in microsomes taken from baculovirus infected Sf9 cells
50000231	1	ChEBML_78487	The compound was tested in vitro for inhibitory activity against HMG-CoA reductase
50042156	12	ChEMBL_1832 (CHEMBL857068)	Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT.
50029700	5	ChEBML_39381	Compound was tested for inhibition of beta-galactosidase from aspergillus niger.
50000233	1	ChEMBL_223733 (CHEMBL843737)	Compound was evaluated for the inhibition of [125I]AII specific binding to rat mesenteric arteries
50029700	2	ChEBML_34537	Compound was tested for inhibition of alpha-glucosidase from yeast.
50029702	1	ChEBML_146617	Compound was tested for binding activity against Opioid receptor delta 1 in bovine striatal membranes using 0.2 nM [3H]p-CI-DPDPE as the radioligand.
50034833	1	ChEBML_53500	In vitro test for inhibitory activity against human dipeptidyl peptidase IV.
50034834	3	ChEMBL_3139 (CHEMBL617981)	In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor
50034834	1	ChEBML_3320	Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor
50029706	6	ChEMBL_223446 (CHEMBL844770)	Binding affinity to p60 src SH2 domain.
50029706	4	ChEBML_154713	Inhibition of Syp(N) SH2 domain block binding to PDGF receptor
50029706	1	ChEBML_154714	Inhibition of src SH2 domain binding to PDGF receptor
50000233	4	ChEBML_34812	Compound was evaluated for the inhibition of Angiotensin II receptor induced vasoconstriction of the rabbit aorta
50029706	5	ChEMBL_154714 (CHEMBL764642)	Inhibition of src SH2 domain binding to PDGF receptor
50029706	2	ChEBML_154593	Inhibition of Abl SH2 domain binding PDGF receptor
50029707	1	ChEBML_153129	Inhibition of serine/threonine kinase(PKC-alpha)
50000233	2	ChEMBL_34812 (CHEMBL648956)	Compound was evaluated for the inhibition of Angiotensin II receptor induced vasoconstriction of the rabbit aorta
50034835	3	ChEBML_64338	Inhibition of Endothelin-converting enzyme of guinea pig lung membrane
50034837	3	ChEMBL_64342 (CHEMBL675918)	Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells
50034837	1	ChEBML_144316	Inhibition of neutral endopeptidase in human umbilical vein endothelial cells
50000238	7	ChEBML_70175	Inhibition of [3H]Mba-(N-Me)Arg-Gly-Asp-Man binding to GPIIb/IIIa from human platelets reconstituted in liposomes
50000238	5	ChEBML_70332	Inhibition of [3H]Mba-(N-Me)Arg-Gly-Asp-Man binding to fibrinogen receptor of human platelets reconstituted in liposomes
50000238	8	ChEBML_158684	Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma
50000238	6	ChEBML_70174	Inhibition of [3H]Mba-(N-Me)Arg-Gly-Asp-Man binding to Fibrinogen Receptor from human platelets reconstituted in liposomes
50000239	5	ChEBML_70176	Inhibition of [3H]-107260 binding to purified GPIIb/IIIa of human platelets
50000239	6	ChEBML_158685	Inhibition of ADP-induced platelet aggregation in canine platelet-rich plasma
50000239	4	ChEBML_70333	Inhibition of [3H]-107260 binding to purified Fibrinogen receptor of human platelets
50034837	2	ChEBML_64342	Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells
50000242	1	ChEBML_61768	The compound was tested in vitro for inhibitory activity against dopamine receptor in rats using [3H]spiperone as radioligand
50000242	4	ChEBML_1240	Inhibitory activity against 5-hydroxytryptamine 1A receptor in rats, using [3H]8-OH-DPAT as radioligand
50000242	3	ChEMBL_1239 (CHEMBL615881)	The compound was tested in vitro for inhibitory activity against 5-HT1A receptor in rats, using [3H]8-OH-DPAT as radioligand
50000242	2	ChEMBL_61768 (CHEMBL672945)	The compound was tested in vitro for inhibitory activity against dopamine receptor in rats using [3H]spiperone as radioligand
50000244	6	ChEMBL_138803 (CHEMBL751538)	Displacement of [3H]pirenzepine (Pz) from rat hippocampus muscarinic acetylcholine receptor M1
50000244	7	ChEBML_138799	In vitro binding affinity against rat hippocampus M1 receptor using [3H]pirenzepine (Pz) as radioligand
50000244	4	ChEMBL_138798 (CHEMBL751534)	In vitro binding affinity against rat hippocampus M1 receptor using [3H]oxotremorine-M (Oxo-M) as radioligand
50000244	5	ChEBML_165078	Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhibit the electrically stimulated twitch of the rabbit vas deferens
50000244	8	ChEMBL_138802 (CHEMBL751537)	Displacement of [3H]oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acetylcholine receptor M1
50000244	9	ChEMBL_138799 (CHEMBL751535)	In vitro binding affinity against rat hippocampus M1 receptor using [3H]pirenzepine (Pz) as radioligand
50000244	2	ChEMBL_138800 (CHEMBL751536)	In vitro binding affinity against rat hippocampus Muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) as radioligand
50000244	1	ChEMBL_138801 (CHEMBL884860)	In vitro binding affinity against rat hippocampus Muscarinic acetylcholine receptor M1 using [3H]pirenzepine (Pz) as radioligand
50000244	3	ChEBML_138799	In vitro binding affinity against rat hippocampus M1 receptor using [3H]pirenzepine (Pz) as radioligand
50000245	1	ChEBML_36783	In vitro inhibition of the specific binding of [125I]angiotensin II to a guinea pig adrenal membrane preparation
50000247	1	ChEBML_3958	inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cell line.
50000249	1	ChEBML_68691	Inhibitory activity against hog liver Folyl polyglutamate synthetase (FPGS)
50029712	1	ChEBML_207954	Compound was evaluated for inhibition of human alpha-thrombin catalytic activity.
50029714	3	ChEBML_62290	Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.
50029714	1	ChEMBL_61962 (CHEMBL670420)	Stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells
50029714	5	ChEMBL_62290 (CHEMBL675060)	Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.
50029715	7	ChEMBL_65476 (CHEMBL677306)	Affinity for human endothelin A receptor expressed in Ltk cells.
50029715	4	ChEMBL_225759 (CHEMBL848083)	Inhibition of ET- 1 stimulated arachidonic acid release (AAR) in cultured rabbit renal vascular smooth muscle cells expressing the endothelin A receptor.
50029715	8	ChEMBL_63676 (CHEMBL670634)	Affinity for human endothelin B receptor expressed in CHO-K1 cells.
50029715	3	ChEMBL_225760 (CHEMBL848084)	Inhibition of ET- 1 stimulated arachidonic acid release (AAR) in cultured rabbit renal vascular smooth muscle cells expressing the endothelin B receptor.
50029715	1	ChEBML_225759	Inhibition of ET- 1 stimulated arachidonic acid release (AAR) in cultured rabbit renal vascular smooth muscle cells expressing the endothelin A receptor.
50029715	2	ChEBML_63676	Affinity for human endothelin B receptor expressed in CHO-K1 cells.
50034839	3	ChEMBL_158852 (CHEMBL761737)	Inhibition of ADP-induced human platelet aggregation
50029723	1	ChEBML_36639	In vitro ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)
50034840	2	ChEMBL_144631 (CHEMBL752989)	In vitro inhibition of Neutral Endopeptidase
50029726	4	ChEBML_70051	Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned rat GAT-2 transporte
50029730	1	ChEBML_146616	Compound was tested for Inhibition of 9 (1 nM) binding to Opioid receptor delta 1 from bovine striatal Membranes
50029736	4	ChEMBL_142878 (CHEMBL750228)	Compound was tested for inhibition of NK1 receptor from gerbil midbrain; NT means not tested
50029736	1	ChEMBL_142877 (CHEMBL857548)	Compound was tested for inhibition of NK1 receptor from gerbil midbrain
50029736	2	ChEBML_142878	Compound was tested for inhibition of NK1 receptor from gerbil midbrain; NT means not tested
50029736	7	ChEMBL_142876 (CHEMBL750227)	Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina
50029741	1	ChEBML_207964	Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay
50029741	2	ChEBML_207964	Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay
50029741	3	ChEMBL_207964 (CHEMBL815791)	Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay
50029741	4	ChEMBL_208346 (CHEMBL813656)	Compound was measured for the inhibition of alpha-human thrombin by clotting test
50029744	1	ChEBML_101739	Inhibition of Matrix Metallo Proteinase-1 (MMP-1)
50029745	3	ChEMBL_101738 (CHEMBL709094)	Inhibitory activity against Matrix Metallo Proteinase-1 (MMP-1)
50029745	1	ChEBML_101738	Inhibitory activity against Matrix Metallo Proteinase-1 (MMP-1)
50029746	3	ChEBML_90523	Compound was tested for its ability to penetrate the cell wall and inhibit macrophage ACAT in cell culture using murine IC-21 macrophages (MAI)
50029747	1	ChEBML_153130	Inhibition of protein kinase C alpha
50029747	8	ChEBML_153132	Inhibition of protein kinase C beta II
50029747	15	ChEMBL_153134 (CHEMBL759073)	Inhibition of protein kinase C delta
50029747	16	ChEMBL_153152 (CHEMBL761875)	Inhibition of protein kinase C eta
50029747	17	ChEMBL_153130 (CHEMBL759069)	Inhibition of protein kinase C alpha
50029747	5	ChEBML_153152	Inhibition of protein kinase C eta
50029747	7	ChEMBL_153132 (CHEMBL759071)	Inhibition of protein kinase C beta II
50029747	11	ChEBML_153130	Inhibition of protein kinase C alpha
50029747	18	ChEMBL_153154 (CHEMBL761877)	Inhibition of protein kinase C gamma
50029747	19	ChEMBL_153131 (CHEMBL759070)	Inhibition of protein kinase C beta I
50029747	20	ChEMBL_153151 (CHEMBL761874)	Inhibition of protein kinase C epsilon
50029747	14	ChEBML_153151	Inhibition of protein kinase C epsilon
50029747	10	ChEBML_153152	Inhibition of protein kinase C eta
50029751	5	ChEMBL_156164 (CHEMBL760933)	Inhibition of Phosphodiesterase 1 from rat liver
50029751	3	ChEBML_155206	Inhibition of Phosphodiesterase 5 from human corpus cavernosum
50029751	2	ChEBML_155206	Inhibition of Phosphodiesterase 5 from human corpus cavernosum
50029751	4	ChEBML_156630	Inhibition of Phosphodiesterase 3 from rabbit platelets
50029753	2	ChEMBL_216624 (CHEMBL819196)	Reversible inhibitory activity toward alpha-chymotrypsin (5 nM concentration) at a pH of 7.8 by progress curve method.
50029755	2	ChEBML_102114	Compound was tested for its inhibitory activity against 92 kD gelatinase (MMP-9)
50034848	1	ChEBML_29401	In vitro inhibitory activity against Acetylcholinesterase (AChE).
50034849	4	ChEMBL_47860 (CHEMBL660107)	Ability to compete for binding to Class II MHC using ELISA assay.
50029761	1	ChEMBL_141123 (CHEMBL745318)	Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)
50029761	3	ChEMBL_141133 (CHEMBL747288)	Compound was tested for its inhibitory activity against human N-Myristoyltransferase (NMT)
50029764	2	ChEMBL_199694 (CHEMBL802923)	In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E
50029766	3	ChEBML_29281	Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor) at 10 nM
50029766	6	ChEMBL_29281 (CHEMBL640342)	Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor) at 10 nM
50034851	5	ChEMBL_105297 (CHEMBL714139)	Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase
50029771	6	ChEMBL_32894 (CHEMBL648797)	Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]HEAT (2-beta-(4-hydroxyphenyl)-ethylaminomethyltetralone)
50029776	3	ChEMBL_45184 (CHEMBL658683)	Compound was evaluated for the inhibition of cathepsin D at an enzyme level of 50 ng/mL
50034852	1	ChEBML_90102	Compound was tested for inhibition of specific [3H]Ins(1,4,5)P3 binding to Inositol 1,4,5-trisphosphate receptor in rat cerebellar membranes.
50029782	3	ChEBML_38465	Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]iodocyanopindolol as the radioligand.
50029782	7	ChEMBL_39055 (CHEMBL652056)	Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]iodocyanopindolol as the radioligand.
50029782	2	ChEBML_38913	Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO Beta-3 adrenergic receptor cell membrane.
50029782	4	ChEMBL_38913 (CHEMBL652016)	Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO Beta-3 adrenergic receptor cell membrane.
50029782	5	ChEMBL_38915 (CHEMBL652018)	Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO-beta-3 adrenergic receptor cell membrane.
50029784	2	ChEBML_158603	Compound was tested in vitro for inhibition of human platelet Prostaglandin G/H synthase 1 at 10 uM
50029786	3	ChEMBL_64372 (CHEMBL678357)	In vitro inhibition of Endothelin-converting enzyme 1 from rat lungs.
50029788	1	ChEBML_98509	Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand
50034854	1	ChEBML_123928	In vitro inhibitory activity against monoamine oxidase B (MAO-B).
50029790	1	ChEBML_210404	Inhibitory activity against thermolysin expressed as Ki
50029791	1	ChEBML_143195	Inhibitory activity against binding of [125I][MePhe7]-NKB SP to tachykinin NK-3 receptor in guinea pig cortical membranes.
50029792	2	ChEBML_147156	Compound was evaluated for binding affinity against [3H]- Cl-DPDPE labeled Opioid receptor delta 1 in guinea-pig brain homogenate.
50029792	7	ChEMBL_220952 (CHEMBL823202)	Compound was evaluated for binding affinity against [3H]- bremazocine labeled kappa2 opioid receptor in guinea-pig brain homogenate.
50029792	8	ChEMBL_220951 (CHEMBL823201)	Compound was evaluated for binding affinity against [3H]- U-69593 labeled kappa1 opioid receptor in guinea-pig brain homogenate.
50029792	3	ChEBML_138744	Compound was evaluated for binding affinity against [3H]- DAMGO labeled mu opioid receptor in guinea-pig brain homogenate.
50029792	1	ChEMBL_75196 (CHEMBL687456)	Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum
50000254	3	ChEMBL_123610 (CHEMBL734190)	Inhibitory constant against monoamine Oxidase(MAO-B).
50000254	2	ChEMBL_123608 (CHEMBL734188)	Inhibitory constant against monoamine Oxidase(MAO-B) was determined at a concentration of 300-1500 uM
50000254	1	ChEBML_123609	Inhibitory constant against monoamine Oxidase(MAO-B) was determined at a concentration of 50-100 uM
50029792	5	ChEBML_75196	Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum
50000260	2	ChEMBL_50055 (CHEMBL662424)	Concentration inhibiting [3H]propionyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.
50000260	1	ChEBML_47673	Concentration inhibiting [3H]propionyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.
50000260	4	ChEBML_49567	Inhibitory activity against cholecystokinin type A receptor from bovine striatal binding assay
50000260	5	ChEBML_50186	Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay
50000260	3	ChEMBL_47673 (CHEMBL663430)	Concentration inhibiting [3H]propionyl-CCK-8 binding to cholecystokinin type B receptor of bovine striatum.
50029793	5	ChEMBL_46463 (CHEMBL657910)	Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]CP-55940) assay; second determination
50029795	3	ChEMBL_196634 (CHEMBL798187)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor beta using transactivation assay
50029795	19	ChEMBL_195815 (CHEMBL799664)	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor
50029795	6	ChEBML_195815	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor
50029795	5	ChEBML_195326	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor
50029795	11	ChEMBL_196498 (CHEMBL798312)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor alpha using transactivation assay
50029795	20	ChEMBL_196652 (CHEMBL800765)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor gamma using transactivation assay
50029795	1	ChEMBL_195326 (CHEMBL799721)	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]-RA as a radioligand in baculovirus expressed receptor
50029795	8	ChEMBL_196177 (CHEMBL804950)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor gamma using transactivation assay
50029795	9	ChEMBL_196655 (CHEMBL800768)	Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor
50029795	21	ChEMBL_196501 (CHEMBL798315)	Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor
50029795	2	ChEBML_196652	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor gamma using transactivation assay
50029795	22	ChEMBL_195303 (CHEMBL799859)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor alpha using transactivation assay
50029795	23	ChEMBL_196637 (CHEMBL798190)	Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]9-cis-RA as a radioligand in baculovirus expressed receptor
50029795	17	ChEMBL_195656 (CHEMBL796051)	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor beta using transactivation assay
50029795	12	ChEBML_196498	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoid X receptor alpha using transactivation assay
50029795	16	ChEBML_196637	Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]9-cis-RA as a radioligand in baculovirus expressed receptor
50029795	24	ChEMBL_196326 (CHEMBL806269)	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor
50029795	7	ChEBML_196637	Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]9-cis-RA as a radioligand in baculovirus expressed receptor
50029795	4	ChEBML_196177	Compound was tested for functional activity in CV-1 cells transfected with an expression vector for retinoic acid receptor gamma using transactivation assay
50029799	1	ChEBML_195046	Inhibition of HIV-1 reverse transcriptase.
50029799	2	ChEMBL_195046 (CHEMBL800346)	Inhibition of HIV-1 reverse transcriptase.
50029800	1	ChEBML_195047	Inhibition of HIV-1 reverse transcriptase
50029800	2	ChEMBL_195047 (CHEMBL800347)	Inhibition of HIV-1 reverse transcriptase
50000265	3	ChEBML_216784	Compound was tested for its binding affinity against the enzyme alpha-chymotrypsin
50000265	6	ChEBML_155403	Compound was tested for the rate constant of deacylation against Urokinase-type plasminogen activator
50000265	8	ChEMBL_212370 (CHEMBL817618)	Compound was tested for the rate constant of deacylation against the enzyme trypsin
50000265	4	ChEBML_213304	Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator
50000265	2	ChEBML_212511	Compound was tested for its binding affinity against the enzyme trypsin
50000265	1	ChEBML_208037	Compound was tested for its binding affinity against the enzyme Tissue plasminogen activator
50000265	10	ChEMBL_213301 (CHEMBL814356)	Compound was tested for the rate constant of deacylation against Urokinase-type plasminogen activator
50000265	5	ChEBML_208714	Compound was tested for the rate constant of deacylation against thrombin
50000266	1	ChEBML_201725	Binding affinity for sigma receptor using [3H](+)-pentazocine in guinea pig brain homogenates
50029804	1	ChEBML_158782	Compound was evaluated for inhibitory activity against herpes simplex type 2 protease (HSV-2 pr).
50029807	3	ChEMBL_197707 (CHEMBL801819)	Competitive inhibition of Subtilisin BL wild type enzyme from Bacillus lentus
50029807	5	ChEMBL_98918 (CHEMBL708727)	Competitive inhibition of Subtilisin BL M222S-mutated enzyme from Bacillus lentus
50029807	4	ChEMBL_98917 (CHEMBL708726)	Competitive inhibition of Subtilisin BL M222C-mutated enzyme from Bacillus lentus
50000268	1	ChEBML_209946	The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)
50000269	1	ChEBML_209924	In vitro inhibition of Thromboxane A2 synthase
50029807	2	ChEBML_98917	Competitive inhibition of Subtilisin BL M222C-mutated enzyme from Bacillus lentus
50029808	2	ChEMBL_218227 (CHEMBL818753)	Binding affinity against alpha IIb beta-3 integrin in the presence of L-736622.
50029811	12	ChEMBL_218851 (CHEMBL873403)	Compound was tested for its agonist activity against mGluR 6 receptor in CHO cells.
50029811	6	ChEMBL_218846 (CHEMBL823394)	Compound was tested for its antagonist activity against mGluR 2 receptor in CHO cells.
50029811	1	ChEBML_218861	Compound was tested for its agonist activity against mGluR1a receptor in CHO cells.
50029813	8	ChEMBL_215974 (CHEMBL821003)	Inhibition of biotinylated fibrinogen binding to alphaIIb-beta3 integrin
50034857	1	ChEBML_143206	Binding affinity against human NMB receptor was determined
50029817	7	ChEMBL_3407 (CHEMBL620721)	Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.
50029817	6	ChEMBL_3403 (CHEMBL619165)	Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat CNS.
50029817	5	ChEMBL_3406 (CHEMBL620720)	Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor
50029817	3	ChEMBL_3405 (CHEMBL872924)	Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.
50029819	1	ChEBML_158602	Inhibition of PGE-2 production in arachidonic acid-stimulated CHO cells expressing human Prostaglandin G/H synthase 1
50029820	1	ChEBML_53349	Inhibition of human Dipeptidyl peptidase IV
50034859	2	ChEMBL_199692 (CHEMBL802921)	Ability to inhibit sialyl Lewis X binding to Selectin E was determined
50029822	1	ChEBML_159570	Inhibition of Prostaglandin G/H synthase 1 (COX-1)
50000282	1	ChEBML_593	Effect on forskolin stimulated adenylate cyclase activity at 5-hydroxytryptamine 1A receptor of guinea pig hippocampus.
50000282	7	ChEBML_1836	Binding affinity against 5-hydroxytryptamine 1B receptor
50000282	3	ChEBML_1874	Binding affinity against 5-hydroxytryptamine 1C receptor
50000282	11	ChEMBL_593 (CHEMBL615463)	Effect on forskolin stimulated adenylate cyclase activity at 5-hydroxytryptamine 1A receptor of guinea pig hippocampus.
50029825	4	ChEMBL_144629 (CHEMBL752987)	Inhibition of neutral endopeptidase
50029825	1	ChEBML_144629	Inhibition of neutral endopeptidase
50029825	3	ChEMBL_36009 (CHEMBL644716)	Inhibition of Angiotensin I converting enzyme
50029828	2	ChEBML_159273	Compound was evaluated for inhibitory activity against ovine Prostaglandin G/H synthase 1
50000282	2	ChEBML_1658	Binding affinity against 5-hydroxytryptamine 1D receptor
50000283	1	ChEBML_28911	In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.
50000283	3	ChEMBL_41718 (CHEMBL659264)	In vitro inhibitory concentration against butyrylcholinesterase (BuChE) obtained from rat plasma
50000283	2	ChEBML_41575	In vitro inhibitory concentration against Butyrylcholinesterase obtained from rat plasma
50000286	3	ChEMBL_47059 (CHEMBL661100)	Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with saturating AdoMet and variable catechol as substrate (Non-competitive inhibition)
50000286	2	ChEMBL_47058 (CHEMBL661099)	In vitro inhibition of Catechol-O-methyltransferase (COMT) from isolated partially purified pig liver enzyme
50000286	5	ChEMBL_47060 (CHEMBL661101)	Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with variable AdoMet and saturating catechol as substrate (mixed inhibition)
50000291	10	ChEBML_90196	In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.
50029833	1	ChEBML_158078	Apparent binding constant Ki=Kon/Koff
50034863	3	ChEMBL_48593 (CHEMBL662473)	Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.
50000295	1	ChEBML_201744	Compound was evaluated for its ability to displace [3H](+)-pentazocine from sigma receptor in Guinea pig brain
50000295	2	ChEBML_154064	Compound was evaluated for its ability to displace [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor in rat brain
50034863	2	ChEBML_50193	Tested for displacement of [3H]-L-364,718 from Cholecystokinin type A receptor in rat pancreas.
50029838	2	ChEMBL_65478 (CHEMBL873600)	Inhibition of binding of [125I]ET1 to cloned human Endothelin A receptor expressed in LtK- cells
50029838	4	ChEMBL_63189 (CHEMBL679792)	Compound was tested for inhibition of binding of [125I]ET1 to cloned human Endothelin A receptor expressed in LtK- cells
50029838	1	ChEBML_63190	Compound was tested for its ability to inhibit Endothelin A receptor induced arachidonic acid release(AARA) in rabbit renal artery vascular smooth muscles.
50029838	3	ChEMBL_63190 (CHEMBL679793)	Compound was tested for its ability to inhibit Endothelin A receptor induced arachidonic acid release(AARA) in rabbit renal artery vascular smooth muscles.
50029838	6	ChEMBL_63188 (CHEMBL679791)	Antagonistic activity against endothelin A receptor in rabbit renal artery vascular smooth muscle cells.
50000303	1	ChEBML_63655	Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5
50034864	1	ChEBML_199693	Compound was tested for its ability to inhibit the binding to recombinant human Selectin E immobilized on SPA beads of radiolabeled HL60 cell membrane containing sLex.
50034865	5	ChEMBL_27956 (CHEMBL649136)	Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase
50034865	6	ChEMBL_27957 (CHEMBL649137)	Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase
50034865	1	ChEBML_27824	Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..
50034866	2	ChEBML_3344	Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.
50034866	3	ChEMBL_3326 (CHEMBL619026)	In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.
50034866	4	ChEMBL_2989 (CHEMBL621506)	Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.
50034866	5	ChEMBL_3344 (CHEMBL619044)	Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.
50029846	1	ChEBML_209928	Compound was tested for thromboxane TXA2 synthase inhibitory activity using human platelet
50029846	3	ChEMBL_209928 (CHEMBL813719)	Compound was tested for thromboxane TXA2 synthase inhibitory activity using human platelet
50029847	1	ChEBML_49606	Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain
50029847	2	ChEMBL_49606 (CHEMBL661257)	Compound was tested for inhibition of chymotrypsin-like protease of proteasome from postmortem human liver and brain
50029850	1	ChEBML_36934	Compound was evaluated for inhibition of 125I[Sar1,Ile8] all binding to rabbit aorta Angiotensin II receptor, type 1
50029861	1	ChEBML_158808	Antiviral activity against HTLV-1 RF infected MT-2 cells
50029866	5	ChEMBL_202904 (CHEMBL857529)	Inhibition of type-1 human steroid 5-alpha-reductase
50029866	3	ChEBML_202904	Inhibition of type-1 human steroid 5-alpha-reductase
50029866	4	ChEBML_202913	Inhibition of type-2 human steroid 5-alpha-reductase.
50029869	1	ChEBML_201931	Compound was evaluated for the inhibition of pig liver microsomal squalene epoxidase.
50029871	5	ChEBML_216948	Compound was evaluated for inhibition of alpha-glucosidase from yeast(sigma G 7256).
50029871	1	ChEBML_216949	Inhibition of jack bean alpha-mannosidase
50029871	2	ChEBML_215889	Compound was evaluated for inhibition of beta-glucosidase from almonds(sigma G 4511).
50029871	6	ChEBML_215880	Compound was evaluated for inhibition of beta-galactosidase from aspergillus oryzae (sigma G 7256).
50029871	3	ChEBML_216813	Compound was evaluated for inhibition of alpha-fucosidase from bovine kidney(sigma F 5884).
50029871	7	ChEMBL_216814 (CHEMBL816393)	Compound was evaluated for inhibition of alpha-fucosidase from bovine kidney(sigma F 5884) at pH 6.8
50029871	4	ChEBML_216815	Compound was evaluated for inhibition of alpha-galactosidase from green coffee beans (sigma G 8507).
50029872	7	ChEMBL_45243 (CHEMBL658946)	Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)
50029872	6	ChEMBL_45242 (CHEMBL658945)	Kinetic constant for binding human carbonic anhydrase II
50029872	9	ChEMBL_45054 (CHEMBL658052)	Dissociation constant against human carbonic anhydrase II at 37 degree Centigrade
50029872	1	ChEBML_45054	Dissociation constant against human carbonic anhydrase II at 37 degree Centigrade
50029872	8	ChEMBL_45055 (CHEMBL658053)	Dissociation constant was determined against human carbonic anhydrase II at 37 degree Celsius in experiment 1
50029873	1	ChEBML_199876	Compound was tested for its ability to inhibit sialyl Lewis X dependent binding of HL-60 cells to Selectin E fusion protein
50029881	5	ChEMBL_209798 (CHEMBL815664)	Compound was evaluated for the inhibition of Thymidylate synthase in experiment 1
50029881	2	ChEBML_209800	Compound was evaluated for the inhibition of Thymidylate synthase.
50029883	1	ChEMBL_40171 (CHEMBL655966)	Inhibitory activity against C1r serine protease
50029883	13	ChEMBL_40172 (CHEMBL655967)	Inhibitory activity against C1r serine protease
50029883	3	ChEMBL_40170 (CHEMBL655965)	Inhibition of C1r serine protease
50029883	2	ChEBML_40170	Inhibition of C1r serine protease
50029883	9	ChEMBL_40174 (CHEMBL655969)	Compound was evaluated for percentage inhibitory activity against C1r serine protease in assay 1.
50029883	8	ChEBML_92228	Compound was evaluated for inhibitory activity against Kallikrein.
50029883	6	ChEMBL_40173 (CHEMBL655968)	Compound was evaluated for inhibitory activity against C1r serine protease in assay 2 at t=60 min.
50029884	6	ChEMBL_34601 (CHEMBL645560)	Binding affinity at Alpha-1 adrenergic receptor in rat cerebral cortex membranes by [3H]prazosin displacement.
50029886	1	ChEBML_28171	In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI).
50034870	2	ChEBML_28155	Inhibitory activity against acetylcholinesterase in human RBC
50034870	1	ChEBML_29085	Inhibitory activity against acetylcholinesterase in rat brain
50029891	1	ChEBML_218869	Compound was tested for inhibition of glutamate-evoked (10 uM) [Ca2+] mobilization in mGluR1-alpha expressed-CHO cells.
50000317	1	ChEBML_195957	Inhibition of human plasma renin
50000320	2	ChEBML_49569	In vitro smooth muscle contraction activity in guinea pig gall bladder cholecystokinin type A receptor
50000320	1	ChEBML_40219	In vitro smooth muscle contraction activity in guinea pig stomach consisting of CCK/gastrin receptor subtype
50034872	1	ChEBML_29594	Compound was evaluated for the Adenosine A1 receptor agonist potency.
50029900	1	ChEBML_28359	In vitro inhibition of rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase
50000321	8	ChEBML_52075	Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A
50029904	2	ChEBML_36930	Inhibition of [125I]-Sar1-Ile8-Ang II binding to Angiotensin II receptor type 1 from rabbit aorta
50000321	10	ChEBML_48190	Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450
50000321	7	ChEBML_158901	Inhibition of Progesterone 21-hydroxylase cytochrome P450 21
50000321	14	ChEMBL_50353 (CHEMBL662513)	Inhibition of cholesterol side chain cleavage cytochrome P450
50000321	15	ChEMBL_50712 (CHEMBL666791)	Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis
50000321	4	ChEBML_17	Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase
50000321	13	ChEBML_50712	Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis
50000321	1	ChEBML_4334	Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes
50000321	16	ChEMBL_48190 (CHEMBL665986)	Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450
50000321	11	ChEBML_48771	Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase
50000321	3	ChEBML_78	Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase
50029906	3	ChEBML_143196	NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex
50000321	12	ChEMBL_4334 (CHEMBL618439)	Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes
50029906	4	ChEMBL_143057 (CHEMBL750304)	Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA
50029906	2	ChEBML_142884	Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP
50000321	2	ChEBML_50353	Inhibition of cholesterol side chain cleavage cytochrome P450
50000321	17	ChEMBL_78 (CHEMBL615199)	Inhibition of cytochrome P450 progesterone 2-alpha-hydroxylase
50029909	2	ChEBML_50052	Binding of [3H]propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas
50029909	1	ChEBML_48585	Binding of [3H]propionyl-CCK-8 to Cholecystokinin type B receptor from rat cerebral cortex.
50029910	19	ChEMBL_153124 (CHEMBL758470)	Inhibition of protein kinase C gamma
50029910	20	ChEMBL_153123 (CHEMBL758469)	Inhibition of protein kinase C eta
50029910	1	ChEBML_152985	Inhibition of protein kinase C alpha
50029910	7	ChEMBL_160105 (CHEMBL767707)	Inhibition of protein kinase C alpha
50029910	16	ChEBML_152988	Inhibition of protein kinase C beta 1
50029910	12	ChEMBL_152989 (CHEMBL759474)	Inhibition of protein kinase C beta II
50029910	9	ChEMBL_160610 (CHEMBL764581)	Inhibition of Protein kinase C beta 2
50029910	8	ChEBML_161123	Inhibition of Protein kinase C eta
50029910	10	ChEMBL_161123 (CHEMBL770094)	Inhibition of Protein kinase C eta
50029910	3	ChEMBL_161146 (CHEMBL767414)	Inhibition of Protein kinase C gamma
50029910	21	ChEMBL_152992 (CHEMBL759477)	Inhibition of protein kinase C delta
50029910	4	ChEMBL_160461 (CHEMBL871969)	Inhibition of Protein kinase C beta 1
50029910	22	ChEMBL_152988 (CHEMBL759473)	Inhibition of protein kinase C beta 1
50029913	7	ChEMBL_65492 (CHEMBL682367)	Inhibitory concentration to the endothelin A receptor expressed in LtK cells
50029913	8	ChEMBL_63698 (CHEMBL670654)	Inhibitory concentration against Endothelin B receptor expressed in CHO-K1 cells
50029913	3	ChEMBL_65472 (CHEMBL677303)	Compound was evaluated for binding affinity against human Endothelin A receptor
50029915	2	ChEBML_192856	Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II for 5 hr
50029915	3	ChEMBL_192856 (CHEMBL799390)	Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II for 5 hr
50029915	1	ChEMBL_192854 (CHEMBL800187)	Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for 20 min
50000326	1	ChEMBL_54413 (CHEMBL667171)	Thermodynamic dissociation constant of compound for mutant T46A Escherichia coli dihydrofolate reductase
50000326	2	ChEMBL_54552 (CHEMBL664868)	Inhibitor constant of compound for mutant T46A Escherichia coli dihydrofolate reductase
50000326	10	ChEMBL_54416 (CHEMBL667174)	Thermodynamic dissociation constant of compound for wild type Escherichia coli dihydrofolate reductase
50000326	3	ChEMBL_54553 (CHEMBL664869)	Inhibitor constant of compound for mutant T46N Escherichia coli dihydrofolate reductase
50000326	15	ChEMBL_55269 (CHEMBL663722)	Inhibitor constant of compound for Plasmodium falciparum dihydrofolate reductase
50000326	4	ChEMBL_54554 (CHEMBL664870)	Inhibitor constant of compound for mutant T46S Escherichia coli dihydrofolate reductase
50000326	5	ChEMBL_54555 (CHEMBL664871)	Inhibitor constant of compound for wild type Escherichia coli dihydrofolate reductase
50000326	16	ChEMBL_54415 (CHEMBL667173)	Thermodynamic dissociation constant of compound for mutant T46S Escherichia coli dihydrofolate reductase
50000326	9	ChEMBL_54414 (CHEMBL667172)	Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductase
50000326	6	ChEBML_55268	Inhibitor constant of compound for mutant S108 N Plasmodium falciparum in dihydrofolate reductase
50000327	9	ChEMBL_70879 (CHEMBL684537)	Evaluated in vitro for maximal stimulatory activity for amylase release relative to CCK-8 in guinea pig tissue
50000327	8	ChEMBL_70835 (CHEMBL680199)	Evaluated in vitro for maximal stimulatory activity for amylase release relative to CCK-8 in guinea pig tissue
50000327	5	ChEBML_47826	Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex
50000327	6	ChEBML_49568	Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas
50000327	3	ChEBML_49579	Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas
50000327	1	ChEMBL_47808 (CHEMBL660022)	Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex
50000327	7	ChEMBL_47825 (CHEMBL662567)	In vitro binding affinity towards Cholecystokinin type B receptor of guinea pig cortex
50000328	3	ChEMBL_156346 (CHEMBL759989)	In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay
50000328	1	ChEBML_156346	In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay
50000328	2	ChEMBL_156343 (CHEMBL759986)	In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay
50000332	1	ChEBML_54596	In vitro inhibition of dihydrofolate reductase (DHFR) in L1210 cells
50000335	1	ChEMBL_45061 (CHEMBL658057)	Compound was evaluated for the inhibition of dansylamide at human carbonic anhydrase II
50000336	1	ChEBML_209589	Compound was evaluated for the competitive binding of [3H]U-46619 to washed human platelets at the Thromboxane A2 receptor
50034877	1	ChEBML_142711	Tested for binding affinity of compound against [125I]NKA binding to neurokinin-2 (NK-2) receptor in hamster urinary bladder
50029918	3	ChEBML_51688	In vivo ability to inhibit cyclooxygenase-1 enzyme in human whole blood was determined
50029918	1	ChEMBL_51854 (CHEMBL664077)	In vivo ability to inhibit cyclooxygenase-2 enzyme in human whole blood was determined
50029918	6	ChEMBL_51703 (CHEMBL665718)	In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cells transfected with human cyclooxygenase-2
50029918	2	ChEMBL_51689 (CHEMBL664791)	In vivo ability to inhibit cyclooxygenase-2 enzyme in human whole blood was determined
50029918	5	ChEMBL_51688 (CHEMBL664790)	In vivo ability to inhibit cyclooxygenase-1 enzyme in human whole blood was determined
50029919	3	ChEBML_158936	Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 1 in chinese hamster ovary (CHO) cells
50029919	2	ChEMBL_159894 (CHEMBL766722)	In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay
50029919	1	ChEBML_159894	In vivo ability to inhibit Prostaglandin G/H synthase 2 in human whole blood assay
50029919	4	ChEMBL_159931 (CHEMBL769656)	Tested in vitro for the ability to inhibit Prostaglandin G/H synthase 2 in chinese hamster ovary (CHO) cells
50029920	1	ChEBML_208361	In vitro inhibition against human thrombin was determined
50029923	1	ChEBML_155707	In vitro inhibition of phosphodiesterase (PDE V).
50029924	4	ChEMBL_215874 (CHEMBL821284)	The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex
50029924	1	ChEMBL_216176 (CHEMBL820268)	Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of guinea pigs
50029924	3	ChEBML_216165	Tested for beta-1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right atrium of guinea pigs
50034879	2	ChEBML_212327	Tested for the Inhibition of the catalytic activity of bovine trypsin at 25 degree C and pH 7.5.
50000340	1	ChEBML_159622	Inhibitory activity towards HIV-1 protease
50000341	1	ChEBML_92376	Inhibitory activity against beta-kallikrein
50029933	5	ChEBML_213125	Inhibition of bovine heart phosphodiesterase 3
50029945	1	ChEMBL_208919 (CHEMBL813201)	Selective inhibition of thrombin in several in vitro and in vivo models of thrombosis
50029946	1	ChEBML_38464	Ability to bind to human Beta-2 adrenergic receptor using membranes of stably transfected CHO cells
50029946	3	ChEMBL_39054 (CHEMBL652055)	Ability to bind to human Beta-3 adrenergic receptor using membranes of stably transfected CHO cells
50029946	5	ChEMBL_218131 (CHEMBL822565)	Effective concentration for stimulation of adenylyl cyclase activity in CHO-beta3 AR expressing cell membranes
50029946	2	ChEBML_218131	Effective concentration for stimulation of adenylyl cyclase activity in CHO-beta3 AR expressing cell membranes
50029947	1	ChEBML_161239	The compound was tested for the inhibitory activity against HRV-14 (human rhinovirus) Protease 3C
50029951	1	ChEBML_158619	Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA
50042159	3	ChEMBL_90002 (CHEMBL701675)	Inhibition of human platelet aggregation
50042159	4	ChEMBL_90001 (CHEMBL702526)	Inhibition of fibrinogen binding to activated human platelets
50000346	2	ChEBML_139895	Ability to displace [3H]methylscopolamine ([3H]NMS) from mouse cerebral cortex
50000346	5	ChEBML_138550	Inhibition of [3H]pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortex
50000346	12	ChEBML_28294	In vitro inhibition of human acetylcholinesterase.
50000346	6	ChEMBL_139895 (CHEMBL744482)	Ability to displace [3H]methylscopolamine ([3H]NMS) from mouse cerebral cortex
50000346	16	ChEMBL_140041 (CHEMBL744021)	Inhibition of [3H]N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue
50000346	8	ChEMBL_140039 (CHEMBL744019)	Binding affinity against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]N-methylscopolamine
50000346	7	ChEMBL_28908 (CHEMBL638607)	In vitro acetyl cholinesterase (AChE-I) inhibitory activity, ability to reverse the cholinergic deficit characteristic of AD
50000346	15	ChEBML_41586	In vitro inhibition of human butryl cholinesterase.
50000346	10	ChEMBL_138558 (CHEMBL746425)	Binding affinity against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine
50000346	17	ChEMBL_41422 (CHEMBL856060)	In vitro Butyrylcholinesterase inhibitory activity to determine its ability to reverse the cholinergic deficit characteristic of AD
50000346	1	ChEMBL_139896 (CHEMBL744483)	Ability to displace [3H]methylscopolamine ([3H]NMS) from mouse cerebral cortex
50000346	3	ChEBML_131447	Binding affinity against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]N-methylscopolamine
50000346	11	ChEMBL_138557 (CHEMBL746424)	Binding affinity against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine
50000346	13	ChEMBL_28293 (CHEMBL884112)	In vitro acetyl cholinesterase (AChE-I) inhibitory activity to determine its ability to reverse the cholinergic deficit characteristic of AD
50000346	4	ChEBML_140039	Binding affinity against mouse Muscarinic acetylcholine receptor M2 using heart tissue and [3H]N-methylscopolamine
50000346	18	ChEMBL_139897 (CHEMBL744484)	Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex
50000346	9	ChEMBL_140038 (CHEMBL744018)	Binding affinity against mouse M2 muscarinic receptor using heart tissue and [3H]N-methylscopolamine
50000347	2	ChEBML_4163	Inhibitory activity against 5-lipoxygenase of RBL-1 cell line
50000347	1	ChEBML_155878	Inhibitory activity against phospholipase A2 of Croatalus adamanteus
50000353	1	ChEBML_28536	Inhibition of [3H]CHA binding to Adenosine A1 receptor in rat cerebral cortical membranes
50000353	3	ChEMBL_28536 (CHEMBL636726)	Inhibition of [3H]CHA binding to Adenosine A1 receptor in rat cerebral cortical membranes
50029963	5	ChEMBL_105348 (CHEMBL872690)	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of marmoset plasma renin, Expressed as IC50
50029963	4	ChEMBL_192895 (CHEMBL795934)	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of dog plasma renin, Expressed as IC50
50029963	9	ChEMBL_195929 (CHEMBL803285)	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50
50029963	3	ChEMBL_192724 (CHEMBL801751)	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of monkey plasma, Expressed as IC50
50029965	1	ChEMBL_31465 (CHEMBL647987)	Tested for inhibition of bovine lens Aldose reductase (ALR2), expressed as IC50
50029966	4	ChEMBL_154589 (CHEMBL762575)	Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain
50000354	2	ChEMBL_138302 (CHEMBL744332)	Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum
50029966	2	ChEMBL_154591 (CHEMBL762577)	Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain
50000354	1	ChEBML_138302	Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum
50000354	3	ChEMBL_139471 (CHEMBL748179)	Displacement of [3H]3-quinuclidinyl benzilate ([3H]-QNB) from muscarinic acetylcholine receptor of rat cerebral cortex
50029966	5	ChEMBL_197686 (CHEMBL806527)	Radioligand displacement assay for the binding of [125I]Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain
50000354	4	ChEMBL_138312 (CHEMBL743823)	Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum
50029966	3	ChEBML_154591	Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain
50029966	6	ChEMBL_198453 (CHEMBL807493)	Radioligand displacement assay for the binding of [125I]Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain
50000357	1	ChEBML_208343	Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc
50029966	1	ChEBML_197686	Radioligand displacement assay for the binding of [125I]Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain
50029970	1	ChEBML_195201	Inhibition of HIV-1 recombinant reverse transcriptase
50034889	5	ChEBML_142710	Concentration required for binding affinity to neurokinin (NK2) receptor in hamster urinary bladder
50034889	7	ChEMBL_88176 (CHEMBL700856)	Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells
50029972	13	ChEMBL_143247 (CHEMBL752535)	Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using [3H]-MCC
50029975	2	ChEBML_40044	Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-A receptor in the rat pancreas
50029975	1	ChEBML_40196	Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex
50029975	3	ChEMBL_40196 (CHEMBL652242)	Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex
50029976	2	ChEBML_152758	Concentration required for its inhibitory activity against PTB1B phosphatase
50029976	4	ChEMBL_152757 (CHEMBL765209)	Concentration required for its inhibitory activity against VHR phosphatase
50029976	5	ChEMBL_152758 (CHEMBL765210)	Concentration required for its inhibitory activity against PTB1B phosphatase
50029976	6	ChEMBL_152756 (CHEMBL765208)	Concentration required for its inhibitory activity against Cdc25A phosphatase
50029976	3	ChEBML_152756	Concentration required for its inhibitory activity against Cdc25A phosphatase
50029980	1	ChEBML_158973	Inhibitory concentration against human cytomegalovirus protease variant expressing a beta galactosidase reporter gene
50029980	2	ChEMBL_158974 (CHEMBL763741)	Inhibitory concentration human cytomegalovirus protease variant expressing a beta galactosidase reporter gene
50029982	2	ChEBML_51666	In vitro inhibitory concentration against human COX-1 (Cyclooxygenase-1)
50029982	3	ChEMBL_51667 (CHEMBL665900)	In vitro inhibitory concentration against recombinant human COX-1 (Cyclooxygenase-1)
50029985	14	ChEMBL_2995 (CHEMBL619786)	Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor
50029985	1	ChEBML_201190	Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay
50034892	1	ChEBML_207962	In vitro ability to inhibit the activity of human alpha Thrombin
50034892	2	ChEBML_155058	In vitro ability to inhibit the activity of Plasmin
50029991	1	ChEBML_40561	Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of pre-incubation with the enzyme at 37 degree C
50029991	4	ChEMBL_40409 (CHEMBL652459)	Compound was evaluated for beta-lactamase inhibition activity of Escherichia cloacae after 15 min of pre-incubation with the enzyme at 37 degree C
50029991	2	ChEBML_40408	Compound was evaluated for beta-lactamase inhibition activity of Enterobacter cloacae after 15 min of pre-incubation with the enzyme at 37 degree C
50029991	3	ChEMBL_40561 (CHEMBL651410)	Compound was evaluated for beta-lactamase inhibition activity of Escherichia coli after 15 min of pre-incubation with the enzyme at 37 degree C
50034893	3	ChEMBL_65500 (CHEMBL682973)	Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected CHO cells
50034893	8	ChEMBL_65501 (CHEMBL682974)	Receptor binding affinity was determined against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected Sf9 cells
50034893	1	ChEBML_65500	Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovirus-infected CHO cells
50034895	3	ChEMBL_71842 (CHEMBL681700)	Inhibition towards glutamate racemase from Lactobacillus fermenti was determined and expressed as KI
50029996	10	ChEMBL_69806 (CHEMBL677202)	Inhibition of [3H]flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in cerebellum
50029996	9	ChEMBL_69958 (CHEMBL678631)	Inhibition of [3H]flumazenil binding to recombinant GABA-A receptor alpha-1-beta-2-gamma-2 subunits
50029996	11	ChEMBL_69641 (CHEMBL676829)	Inhibition of [3H]flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in spinal cord
50029998	4	ChEMBL_49502 (CHEMBL662797)	Inhibition of human collagenase (MMP1)
50048417	3	ChEMBL_99483 (CHEMBL704371)	Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen
50048417	4	ChEMBL_144929 (CHEMBL872743)	Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils
50034895	2	ChEMBL_71843 (CHEMBL681701)	Inhibition towards glutamate racemase was determined and expressed as KI
50000369	1	ChEMBL_63063 (CHEMBL673630)	Displacement of [3H]spiperone from dopamine receptor D2
50029995	1	ChEBML_146101	Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand
50029995	2	ChEBML_147161	Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]naltrindole as radioligand
50000369	2	ChEBML_63062	Binding affinity towards Dopamine receptor D2 by displacing [3H]spiperone
50029995	3	ChEBML_145292	Compound was evaluated for the inhibition of Opioid receptor mu 1 binding to guinea pig brain membranes, using [3H]- DAMGO as radioligand
50029996	2	ChEMBL_69807 (CHEMBL677203)	Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in spinal cord
50029996	1	ChEMBL_69640 (CHEMBL676828)	Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellum
50048417	2	ChEBML_144929	Inhibition of LTB4 receptor induced chemotaxis of isolated human neutrophils
50029998	3	ChEBML_71656	Inhibition of human gelatinase B, MMP9
50030001	6	ChEBML_217648	Binding affinity towards cRAR-beta-2 receptor by displacing 0.82 nM 3[H]all-trans-RA
50030001	7	ChEMBL_217652 (CHEMBL820187)	Binding affinity towards cRARbeta2 receptor by displacing 0.82 nM 3[H]all-trans-RA
50030001	8	ChEMBL_217648 (CHEMBL818520)	Binding affinity towards cRAR-beta-2 receptor by displacing 0.82 nM 3[H]all-trans-RA
50030001	1	ChEMBL_217653 (CHEMBL820188)	Binding affinity towards cRAR-beta-2 receptor by displacing 1.1 nM 3[H]-9-cis-RA
50030003	4	ChEBML_105547	Inhibition of Matrix metalloprotease-9
50030004	1	ChEBML_28992	Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)
50030004	8	ChEMBL_28992 (CHEMBL645016)	Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)
50030004	6	ChEMBL_29457 (CHEMBL641042)	Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes
50030004	2	ChEBML_30920	Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)
50030004	4	ChEBML_28992	Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)
50030004	3	ChEBML_29422	Displacement of [3H]CHA from Adenosine A1 receptor of guinea pig forebrain membranes
50030004	9	ChEMBL_30927 (CHEMBL647736)	In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]NECA (+CPA) displacement.
50030004	5	ChEMBL_30920 (CHEMBL647730)	Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light)
50030006	7	ChEMBL_195811 (CHEMBL807722)	Binding affinity for Retinoic acid receptor beta
50030006	11	ChEMBL_195308 (CHEMBL799863)	Transactivation potency for Retinoic acid receptor alpha; Not active
50030006	2	ChEMBL_195464 (CHEMBL798141)	Transactivation potency for Retinoic acid receptor alpha
50030006	6	ChEMBL_196308 (CHEMBL805023)	Transactivation potency for Retinoic acid receptor gamma
50030006	5	ChEBML_195835	Binding affinity for Retinoic acid receptor beta
50030006	8	ChEMBL_195307 (CHEMBL879144)	Transactivation potency for Retinoic acid receptor alpha
50030006	1	ChEBML_196322	Binding affinity for Retinoic acid receptor gamma
50030006	9	ChEMBL_195466 (CHEMBL798143)	Binding affinity for Retinoic acid receptor alpha
50030007	8	ChEMBL_197063 (CHEMBL806652)	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta
50030007	6	ChEBML_195495	Inhibition of [3H]ATRA binding to retinoic acid receptor RAR beta
50030007	10	ChEBML_195991	Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gamma
50030007	20	ChEMBL_195479 (CHEMBL798901)	Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR beta
50030007	21	ChEMBL_197229 (CHEMBL798205)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR gamma
50030007	15	ChEMBL_195495 (CHEMBL798916)	Inhibition of [3H]ATRA binding to retinoic acid receptor RAR beta
50030007	22	ChEMBL_196755 (CHEMBL800544)	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha
50030007	17	ChEMBL_195991 (CHEMBL800480)	Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gamma
50030007	5	ChEMBL_196772 (CHEMBL798933)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR alpha
50030007	2	ChEBML_41856	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta
50030007	23	ChEMBL_196010 (CHEMBL798020)	Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR gamma
50030007	4	ChEBML_197222	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR gamma
50030007	11	ChEBML_197222	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR gamma
50030007	18	ChEMBL_197222 (CHEMBL798970)	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR gamma
50030007	24	ChEMBL_197070 (CHEMBL806659)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR beta
50030007	9	ChEBML_195991	Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gamma
50030008	3	ChEBML_58937	Binding affinity at cloned human D4 dopamine receptor in CHO cells using [3H]-YM 09151 as radioligand
50030008	4	ChEBML_58937	Binding affinity at cloned human D4 dopamine receptor in CHO cells using [3H]-YM 09151 as radioligand
50030008	5	ChEMBL_58937 (CHEMBL671252)	Binding affinity at cloned human D4 dopamine receptor in CHO cells using [3H]-YM 09151 as radioligand
50034898	2	ChEBML_58455	Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.
50034898	5	ChEMBL_58772 (CHEMBL669160)	Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.
50034898	1	ChEBML_58772	Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.
50034898	6	ChEMBL_58455 (CHEMBL671651)	Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.
50030021	2	ChEBML_53042	Binding affinity for DHP (Dihydropyridine) site of L-type calcium channel of calf heart in the resting state
50000373	1	ChEBML_58396	Displacement of [3H]YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum
50000373	2	ChEBML_58162	Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum
50030022	1	ChEBML_144915	Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP
50034900	1	ChEBML_146485	Compound was evaluated in 3 determinations for the agonistic activity in the Opioid receptor delta 1 of mouse vas deferens
50034900	2	ChEBML_146485	Compound was evaluated in 3 determinations for the agonistic activity in the Opioid receptor delta 1 of mouse vas deferens
50034900	3	ChEMBL_146485 (CHEMBL756585)	Compound was evaluated in 3 determinations for the agonistic activity in the Opioid receptor delta 1 of mouse vas deferens
50034900	8	ChEMBL_147049 (CHEMBL753276)	Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand
50030029	5	ChEMBL_47824 (CHEMBL662566)	Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes
50030029	9	ChEMBL_50047 (CHEMBL662416)	Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes
50030029	1	ChEMBL_50046 (CHEMBL662415)	Inhibition of [125I]Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes
50030029	4	ChEBML_47824	Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes
50030031	3	ChEBML_160264	Inhibition of protein kinase C alpha.
50030032	6	ChEBML_71654	Inhibition of human recombinant Gelatinase B (MMP-9)
50030033	14	ChEMBL_142717 (CHEMBL744868)	Binding affinity for NK-2 receptor was determined in a radioligand binding assay using chinese hamster ovary cells.
50030033	4	ChEMBL_142703 (CHEMBL744935)	Binding affinity for NK-1 receptor was determined in vitro using isolated rabbit vena cava.
50000375	1	ChEBML_141916	The compound was evaluated for the ability to compete with [3H]glycine for strychnine-insensitive binding sites on rat cortical and hippocampal membrane
50030033	2	ChEMBL_142698 (CHEMBL744930)	Binding affinity for NK-1 receptor was determined in a radioligand binding assay using IM9 human lymphoblastoma cell line.
50030033	1	ChEBML_142721	Binding affinity for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.
50034902	4	ChEMBL_41458 (CHEMBL652979)	Tested for the ability to compete with [125I]-CO13 ([125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor from human neutrophil membrane preparations
50034902	1	ChEMBL_41457 (CHEMBL652978)	Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations
50034902	2	ChEBML_41457	Tested for its ability to compete with [125I]C5a for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations
50000376	2	ChEBML_72520	Compound was tested to Inhibit [125I]GRF in rat adenopituitary homogenates
50000376	1	ChEMBL_72520 (CHEMBL857393)	Compound was tested to Inhibit [125I]GRF in rat adenopituitary homogenates
50034907	3	ChEMBL_211861 (CHEMBL819244)	Compound was tested for inhibitory activity against tubulin polymerization
50030043	5	ChEMBL_39983 (CHEMBL653557)	Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle
50030043	6	ChEMBL_40103 (CHEMBL659261)	Compound was evaluated for inhibitory activity against [3H]BK in the classical guinea pig ileum B2 binding assay
50030044	3	ChEMBL_46291 (CHEMBL661060)	Compound was evaluated for binding affinity to displace [3H]CP-55940 radioligand from cannabinoid receptor in rat brain P2 membrane
50030044	2	ChEMBL_46292 (CHEMBL661061)	Compound was evaluated for binding affinity towards cannabinoid receptor in rat brain P2 membrane
50030045	2	ChEMBL_42603 (CHEMBL654168)	Compound was tested in vitro for its binding affinity towards recombinant human Calcitonin gene-related peptide type receptor (membranes of HEK293 cells) using [125I]hCGRP as radioligand
50034908	2	ChEMBL_42810 (CHEMBL877293)	Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E
50030049	2	ChEMBL_93565 (CHEMBL705978)	Inhibition of EGF-stimulated proliferation of KB cells in culture
50030049	3	ChEBML_66598	Tested for inhibition of Epidermal growth factor receptor from A431 vulval squamous carcinoma cells
50030049	4	ChEMBL_66598 (CHEMBL680029)	Tested for inhibition of Epidermal growth factor receptor from A431 vulval squamous carcinoma cells
50030051	11	ChEMBL_196656 (CHEMBL800769)	Inhibition of [3H]9-cis-RA binding to RXR gamma receptor
50030051	6	ChEBML_196651	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50030051	9	ChEMBL_196638 (CHEMBL800751)	Inhibition of [3H]9-cis-RA binding to RXR beta receptor
50030051	3	ChEMBL_196174 (CHEMBL804947)	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma
50030051	10	ChEBML_196497	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50030051	8	ChEMBL_195653 (CHEMBL796048)	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta
50000378	2	ChEBML_141849	Inhibition of [3H]- glycine binding to N-methyl-D-aspartate glutamate receptor from rat cortical membranes
50000378	3	ChEMBL_140401 (CHEMBL746727)	Inhibition of [3H]- glycine binding to NMDA receptor from rat cortical membranes.
50030051	7	ChEBML_196638	Inhibition of [3H]9-cis-RA binding to RXR beta receptor
50000378	1	ChEMBL_141849 (CHEMBL749328)	Inhibition of [3H]- glycine binding to N-methyl-D-aspartate glutamate receptor from rat cortical membranes
50000379	2	ChEBML_1313	Affinity on 5-hydroxytryptamine 1A receptor labeled by [3H]8-OH-DPAT
50030051	5	ChEBML_196331	Inhibition of [3H]ATRA binding to RAR gamma receptor
50030051	4	ChEMBL_196502 (CHEMBL798316)	Inhibition of [3H]9-cis-RA binding to RXR alpha receptor
50000379	4	ChEMBL_1313 (CHEMBL616690)	Affinity on 5-hydroxytryptamine 1A receptor labeled by [3H]8-OH-DPAT
50000380	1	ChEBML_209761	Compound was evaluated for its ability to inhibit specific binding of [3H]U-46619 to Thromboxane A2/ Prostaglandin H2 receptor in guinea pig platelet membrane
50030051	13	ChEMBL_196650 (CHEMBL800763)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50030051	14	ChEMBL_196633 (CHEMBL879143)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta
50030051	2	ChEBML_195653	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta
50030053	2	ChEBML_102116	Inhibition of matrix metalloprotease-9, MMP-9
50030053	1	ChEBML_101947	Inhibition of matrix metalloprotease-3, MMP-3
50030053	4	ChEMBL_102116 (CHEMBL712041)	Inhibition of matrix metalloprotease-9, MMP-9
50030053	3	ChEBML_102109	Inhibition of matrix metalloprotease-8, MMP-8
50030054	1	ChEBML_218858	Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis
50030054	2	ChEBML_219031	Compound was tested for functional response of human metabotropic glutamate receptor mGluR5a expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis
50034909	1	ChEBML_142881	Antagonism of the guinea pig tachykinin NK1 receptor
50000382	1	ChEBML_1164	In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus
50000382	2	ChEMBL_1165 (CHEMBL616110)	In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site.
50030059	2	ChEBML_205406	Antagonistic activity against Tachykinin receptor 1
50000386	1	ChEBML_164926	In vitro inhibition of PAF induced aggregation of rabbit platelets.
50000386	2	ChEMBL_164926 (CHEMBL772348)	In vitro inhibition of PAF induced aggregation of rabbit platelets.
50008000	2	ChEBML_197492	Inhibition of Rhizopus chinensis pepsin using fluorescence assay
50035124	6	ChEBML_207842	Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)
50030066	2	ChEMBL_64439 (CHEMBL674014)	Inhibition of epidermal growth factor receptor (EGF-R)
50030066	5	ChEBML_90259	Inhibition of insulin beta-R in HepG2 cells
50030067	1	ChEBML_143042	Antagonism of NK1 receptor in rat liver microsomes.
50034910	1	ChEBML_53570	inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates
50034910	3	ChEBML_92550	Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates
50034910	4	ChEMBL_92550 (CHEMBL699595)	Binding affinity against Kappa opioid receptor using [3H]U-69593 radioligand in mouse brain homogenates
50034910	2	ChEBML_138866	Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor
50034910	5	ChEMBL_138866 (CHEMBL747712)	Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor
50030071	1	ChEBML_62651	The compound was tested for binding affinity towards dopamine transporter in rat caudate putamen
50034912	5	ChEMBL_202124 (CHEMBL808114)	Inhibitory activity against squalene synthase using rat liver microsomal assay
50034912	4	ChEMBL_202121 (CHEMBL808978)	The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 1.2 mM NADPH and 1.0 mM inorganic pyrophosphate
50034912	2	ChEMBL_202120 (CHEMBL808977)	The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 1.2 mM NADPH
50030073	2	ChEBML_138751	The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]DAMGO radioligand from guinea pig ileum
50030073	6	ChEMBL_53572 (CHEMBL663592)	The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]p-CI-DPDPE radioligand from mouse vas deferens
50030073	5	ChEMBL_138751 (CHEMBL747924)	The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]DAMGO radioligand from guinea pig ileum
50034913	2	ChEBML_31031	Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membranes
50034913	4	ChEMBL_29485 (CHEMBL641719)	Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.
50034913	1	ChEBML_29485	Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H](R)-PIA displacement.
50034913	5	ChEMBL_31031 (CHEMBL638320)	Displacement of [3H]-CGS- 21680 from Adenosine A2 receptor of rat striatal membranes
50030077	2	ChEBML_71655	Inhibition of Gelatinase B, matrix metalloprotease-9
50030078	3	ChEBML_1360	Affinity for 5-hydroxytryptamine 1B receptor subtype
50030078	4	ChEMBL_1598 (CHEMBL883243)	The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor
50030082	7	ChEMBL_63345 (CHEMBL679287)	Inhibition of specific binding of [125I]ET1 (endothelin 1) to the endothelin A receptor of rat aorta membranes
50030082	8	ChEMBL_63875 (CHEMBL878156)	Inhibition of specific binding of [125I]ET1 (endothelin 1) to endothelin B receptor of porcine kidney membranes
50030085	2	ChEBML_63709	Binding affinity for human endothelin B receptor expressed in CHO-K1 cells.
50030085	3	ChEMBL_63709 (CHEMBL678455)	Binding affinity for human endothelin B receptor expressed in CHO-K1 cells.
50030085	1	ChEBML_65630	Binding affinity for human Endothelin A receptor expressed in LtK- cells
50030086	2	ChEBML_148880	Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was determined
50030086	4	ChEMBL_148883 (CHEMBL753758)	Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)
50030086	1	ChEMBL_148880 (CHEMBL753755)	Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was determined
50030086	3	ChEMBL_148879 (CHEMBL753754)	Compound concentration that cause 50% inhibition of pig liver oxidosqualene cyclase (OSC) was determined
50030087	6	ChEBML_155389	Compound was evaluated for its 50% inhibitory concentration against human protease enzyme plasmin
50030088	2	ChEBML_155392	In vitro inhibitory concentration required to inhibit human serine protease enzyme plasmin by 50%
50030089	3	ChEBML_62623	In vitro binding affinity of compound for Dopamine transporter with [3H]- GBR-12935 as radioligand in corpus striatum tissue from rat forebrain
50030089	1	ChEBML_201995	In vitro binding affinity of compound for Serotonin transporter with [3H]- paroxetine as radioligand in corpus striatum tissue from rat forebrain
50030089	2	ChEBML_143120	In vitro binding affinity of compound for Norepinephrine (NE) transporter with [3H]- nisoxatine as radioligand in corpus striatum tissue from rat forebrain
50030090	1	ChEBML_144911	Tested for the inhibitory potency against Neurokinin 1 NK1 receptor
50030091	2	ChEMBL_144910 (CHEMBL749476)	Tested for the binding affinity against neurokinin NK1 receptor
50030091	1	ChEBML_144910	Tested for the binding affinity against neurokinin NK1 receptor
50030092	4	ChEBML_34405	Tested in vitro for the inhibition constant against human lysosomal alpha-glucosidase
50000398	1	ChEBML_195740	Inhibition of human recombinant renin
50000398	2	ChEMBL_195740 (CHEMBL801593)	Inhibition of human recombinant renin
50000399	1	ChEBML_195745	Compound was evaluated for the inhibition of human plasma renin at pH 7.4
50000400	1	ChEBML_209652	Inhibition of human Thymidylate synthase (TS)
50000400	2	ChEBML_208947	Inhibition of Escherichia coli Thymidylate synthase (TS)
50030092	5	ChEMBL_88949 (CHEMBL699120)	Tested in vitro for the inhibition constant against rat small intestinal isomaltase
50030092	3	ChEMBL_206289 (CHEMBL808826)	Tested in vitro for the inhibition constant against rat small intestinal sucrase
50030092	2	ChEBML_206289	Tested in vitro for the inhibition constant against rat small intestinal sucrase
50030097	1	ChEBML_157558	Inhibition of HIV-1 protease.
50030102	1	ChEBML_73025	Tested in vitro for its inhibition of trifunctional glycinamide ribonucleotide formyltransferase (GARFT) isolated from murine L1210 leukemia cells
50034916	1	ChEBML_49899	Tested for the 50% displacement of [125I]CCK-8 from membrane preparation isolated from CHO-K1 cells stably transfected with the cDNA of human Cholecystokinin type A receptor
50034916	2	ChEBML_48243	Tested for 50% displacement of [125I]CCK-8 from membrane preparation isolated from CHO-K1 cells stably transfected with the cDNA of human Cholecystokinin type B receptor
50000404	7	ChEMBL_138226 (CHEMBL744917)	In vitro contraction of guinea pig myenteric plexus preparation (mediated by Muscarinic M3 receptor)
50000404	2	ChEMBL_138683 (CHEMBL748215)	Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion (mediated by muscarinic acetylcholine receptor M1)
50000404	5	ChEMBL_139982 (CHEMBL751168)	In vitro negative chronotropic effect on electrically driven guinea pig atria(mediated by Muscarinic M2 receptor)
50000404	3	ChEBML_138301	In vitro contraction of guinea pig myenteric plexus preparation (mediated by muscarinic acetylcholine receptor M3)
50000404	1	ChEMBL_138682 (CHEMBL748061)	Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion (mediated by Muscarinic M1 receptor)
50036102	3	ChEBML_29292	Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes
50036102	21	ChEMBL_30692 (CHEMBL646320)	Binding affinity against adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide as radioligand in rat striatal membranes.
50000404	6	ChEBML_139982	In vitro negative chronotropic effect on electrically driven guinea pig atria(mediated by Muscarinic M2 receptor)
50034917	3	ChEBML_157479	The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme
50030117	1	ChEMBL_216447 (CHEMBL820162)	The compound was tested for the inhibition of alpha-Chymotrypsin, activity expressed as IC50
50030126	1	ChEBML_81567	Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)
50034922	1	ChEBML_49716	Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig cortical Cholecystokinin type A receptor
50034922	3	ChEBML_48595	Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor
50034922	4	ChEBML_50195	Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor
50030134	1	ChEBML_41460	Binding affinity against C5a anaphylatoxin chemotactic receptor assayed on human monocyte cell line U937
50030134	2	ChEMBL_41450 (CHEMBL652972)	Compound was evaluated for the antagonistic activity against C5a anaphylatoxin chemotactic receptor in human neutrophil C5a stimulated respiratory burst assay
50030141	1	ChEMBL_138346 (CHEMBL747776)	Binding affinity against Muscarinic receptor M2 in rat brain using [3H]QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM
50030141	5	ChEBML_139938	Compound was assessed for the binding affinity against muscarinic receptor subtypes in rat brain using [3H]OXO-M radioligand as a muscarinic receptor agonist at a concentration of 0.2 nM
50030141	7	ChEMBL_138347 (CHEMBL747777)	Muscarinic receptor M2 in rat heart using [3H]QNB (quinuclidinyl benzylate) radioligand as a M2 non-selective muscarinic receptor antagonist at a concentration of 0.12 nM
50030141	2	ChEBML_138346	Binding affinity against Muscarinic receptor M2 in rat brain using [3H]QNB (quinuclidinyl benzylate) radioligand at a concentration of 0.12 nM
50034925	2	ChEBML_140112	Displacement of [3H]QNB (quinuclidinyl benzylate) from muscarinic M2 receptor of rat heart homogenates.
50034925	1	ChEBML_139961	Displacement of [3H]pirenzepine from muscarinic M1 receptor of rat cortex homogenates.
50030151	3	ChEMBL_141737 (CHEMBL749249)	Concentration required for the inhibition of NADH oxidase in submitochondrial particles from beef heart
50030153	1	ChEBML_201933	In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]mevalonate
50034927	5	ChEMBL_58936 (CHEMBL671251)	Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor
50034927	6	ChEMBL_58464 (CHEMBL670395)	Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor
50034927	4	ChEMBL_58454 (CHEMBL671650)	Inhibitory concentration against binding of [3H]spiperone to human D2 dopaminergic receptor
50034927	1	ChEMBL_58928 (CHEMBL668374)	Inhibitory concentration against binding of [3H]spiperone to human D4 dopaminergic receptor
50034928	1	ChEBML_62304	The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428
50007967	1	ChEBML_98393	Dissociation constant when the monoclonal antibody 3-E7 bound tightly to [Leu]enkephalin
50007960	3	ChEMBL_68126 (CHEMBL681160)	Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 1 uM
50007960	6	ChEMBL_68127 (CHEMBL681161)	Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 45 nM
50008047	6	ChEMBL_49090 (CHEMBL660778)	Compound was evaluated for inhibitory activity against cholesteryl ester transfer protein
50007960	5	ChEMBL_68128 (CHEMBL853634)	Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 9 uM
50008047	5	ChEMBL_48922 (CHEMBL660752)	Compound was evaluated for inhibitory activity against cholesteryl ester transfer protein, reported from fungus
50007964	1	ChEBML_28194	In vitro inhibitory activity towards ACAT by the displacement of [1-14C]oleolyl-CoA from the small intestine of cholesterol-fed rabbits
50008028	3	ChEMBL_86750 (CHEMBL693560)	Antagonistic activity was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 2
50008031	3	ChEBML_105234	In vitro inhibitory activity against gelatinase-B (MMP-9).
50008032	2	ChEBML_105236	Inhibition of matrix metalloprotease-9, gelatinase-B
50034931	2	ChEMBL_3823 (CHEMBL618009)	Inhibitory concentration required against 5-lipoxygenase activity in intact cells of human neutrophils
50008035	2	ChEMBL_158582 (CHEMBL767750)	Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.
50008035	1	ChEBML_158575	Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.
50008038	1	ChEBML_195202	Concentration required for no significant inhibitory activity against HIV-1 reverse transcriptase
50008041	1	ChEBML_159291	Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease
50008041	2	ChEMBL_157555 (CHEMBL763307)	Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease
50008053	5	ChEMBL_83752 (CHEMBL693810)	In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.
50008053	7	ChEMBL_201930 (CHEMBL809117)	In vitro inhibition of dog liver squalene epoxidase in HepG2 cells
50034932	1	ChEBML_151696	Compound was evaluated for anti-platelet activating factor potency
50008053	1	ChEBML_201940	In vitro inhibition of pig liver squalene epoxidase in HepG2 cells
50034933	7	ChEMBL_142870 (CHEMBL750065)	Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells
50008053	3	ChEMBL_201940 (CHEMBL809127)	In vitro inhibition of pig liver squalene epoxidase in HepG2 cells
50000411	1	ChEBML_192717	Inhibitory activity against monkey renin
50000411	2	ChEBML_44969	Inhibitory activity against bovine cathepsin D
50000411	3	ChEMBL_192717 (CHEMBL801745)	Inhibitory activity against monkey renin
50000411	4	ChEMBL_196280 (CHEMBL806634)	Inhibitory activity against monkey renin in vitro.
50000412	3	ChEMBL_47648 (CHEMBL657360)	Displacement of [3H]L-364718 from Cholecystokinin type A receptor of rat pancreatic membranes
50000412	2	ChEMBL_47647 (CHEMBL657359)	Compound was evaluated for its ability to inhibit [3H]L-364718 binding Cholecystokinin type A receptor in rat pancreas membranes
50000412	1	ChEBML_47649	Inhibition of [3H]L-364718 binding to cholecystokinin type A receptor in rat pancreas membranes
50041022	5	ChEBML_1021	Antagonistic affinity against cloned human 5-hydroxytryptamine 1A receptor
50041022	6	ChEBML_60939	Antagonistic affinity against rat striatum Dopamine receptor D2
50034934	1	ChEBML_142859	Compound was evaluated for affinity towards human tachykinin NK-1 receptor expressed in CHO cells
50008064	2	ChEMBL_1602 (CHEMBL616628)	The intrinsic activity was evaluated for its ability to inhibit forskolin-stimulated c-AMP formation mediated by cloned 5-hydroxytryptamine 1B receptor in CHO cell line; Antagonist
50008064	5	ChEBML_1603	The intrinsic activity was evaluated for its ability to inhibit forskolin-stimulated c-AMP formation mediated by cloned 5-hydroxytryptamine 1B receptor in CHO cell line; Full Agonist
50008064	9	ChEMBL_1345 (CHEMBL616530)	Binding affinity was evaluated at human recombinant 5-hydroxytryptamine 1B receptor using [3H]5-CT as radioligand
50008064	1	ChEMBL_1601 (CHEMBL616627)	The intrinsic activity was evaluated for its ability to inhibit forskolin-stimulated c-AMP formation mediated by cloned 5-hydroxytryptamine 1B receptor in CHO cell line
50008066	6	ChEMBL_40213 (CHEMBL653059)	Inhibitory activity against CCK-B receptor
50008066	1	ChEBML_40213	Inhibitory activity against CCK-B receptor
50008066	3	ChEBML_40040	Binding affinity against CCK-A receptor in guinea pig pancreatic membranes
50008066	2	ChEBML_40213	Inhibitory activity against CCK-B receptor
50008072	1	ChEBML_197449	Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase
50008073	1	ChEBML_27994	Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE)
50034939	6	ChEBML_143634	The apparent Ki value against NS3-4Apep protease
50008124	1	ChEBML_152819	Displacement of [20-3H]phorbol-12,13-dibutyrate from a recombinant PK-C alpha
50008133	3	ChEBML_138741	Binding affinity against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs
50008133	2	ChEBML_147139	Binding affinity against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs
50008133	1	ChEBML_146389	Binding affinity against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs
50008140	1	ChEBML_159627	Inhibitory activity was evaluated against HIV-protease was evaluated
50008145	2	ChEBML_90727	Inhibitory activity against HIV integrase in the strand transfer step
50008145	1	ChEMBL_90725 (CHEMBL701118)	Inhibitory activity against HIV integrase in the 3' processing step
50008153	2	ChEMBL_142729 (CHEMBL745033)	Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells
50008153	1	ChEBML_142729	Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells
50008154	4	ChEMBL_210283 (CHEMBL808529)	In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2
50008154	1	ChEBML_210283	In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2
50034943	7	ChEMBL_105577 (CHEMBL874171)	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 1 expressed in RGT cells.
50034943	8	ChEMBL_106719 (CHEMBL715725)	In vitro antagonist activity at recombinant Metabotropic glutamate receptor 5 expressed in RGT cells.
50034943	3	ChEBML_105577	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 1 expressed in RGT cells.
50034943	9	ChEMBL_106033 (CHEMBL718205)	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 2 expressed in RGT cells.
50034943	1	ChEBML_106719	In vitro antagonist activity at recombinant Metabotropic glutamate receptor 5 expressed in RGT cells.
50034943	10	ChEMBL_106554 (CHEMBL715497)	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 4 expressed in RGT cells.
50034943	4	ChEBML_106033	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 2 expressed in RGT cells.
50034943	5	ChEBML_106554	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 4 expressed in RGT cells.
50034944	13	ChEMBL_139527 (CHEMBL748283)	Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell at 1000 nM concentration
50034944	14	ChEMBL_139528 (CHEMBL748284)	Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]-NMS radioligand using membranes from transfected chinese hamster ovarian cell at 100 nM concentration
50034947	2	ChEBML_139014	Binding affinity against rat mu-opioid receptor expressed in CHO cells by competitive inhibition of 1 nM [3H]DAMGO
50034947	3	ChEMBL_146650 (CHEMBL754934)	Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.
50034947	5	ChEMBL_92559 (CHEMBL700237)	Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593
50034947	6	ChEMBL_146754 (CHEMBL753334)	Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1
50034947	4	ChEBML_146650	Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.
50034947	1	ChEBML_92559	Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593
50000417	2	ChEMBL_31923 (CHEMBL642966)	Compound was evaluated for the inhibition of Rat Lens Aldose reductase (RLAR)
50000417	1	ChEBML_31317	Compound was evaluated for the inhibition of Rat kidney Aldehyde reductase (RKALR)
50000417	3	ChEMBL_31317 (CHEMBL644870)	Compound was evaluated for the inhibition of Rat kidney Aldehyde reductase (RKALR)
50034948	1	ChEBML_63086	Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone
50034948	5	ChEMBL_63086 (CHEMBL676182)	Binding affinity to cloned human Dopamine receptor D4 expressed in CHO cells using [3H]spiperone
50008179	3	ChEBML_38311	Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
50034949	1	ChEBML_34782	Compound was tested for its inhibitory activity against Angiotensin I converting enzyme
50008188	2	ChEMBL_85850 (CHEMBL693577)	Inhibition of [3H]Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes
50011237	1	ChEMBL_1998148 (CHEMBL4650005)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011238	1	ChEMBL_2012342 (CHEMBL4665920)	Positive allosteric modulator activity at human mGlu4 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay
50008190	3	ChEMBL_195071 (CHEMBL797526)	Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (L1001)
50008190	2	ChEBML_195074	Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase
50008190	4	ChEMBL_195070 (CHEMBL797525)	Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (K103N)
50008190	6	ChEMBL_195072 (CHEMBL797527)	Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (P236L)
50008190	1	ChEMBL_195073 (CHEMBL797528)	Compound was tested for inhibitory activity against HIV-1 mutant type reverse transcriptase (Y181C)
50008190	5	ChEMBL_195074 (CHEMBL872977)	Compound was tested for inhibitory activity against HIV-1 wild type reverse transcriptase
50008203	1	ChEBML_144921	Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined
50008203	2	ChEBML_142715	Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined
50008204	1	ChEBML_85851	Inhibition of N-alpha-methylhistamine binding to histamine H3 receptor of guinea pig brain membranes
50008206	2	ChEMBL_201297 (CHEMBL805786)	Binding affinity for [3H]- pentazocine at sigma opioid receptor
50043993	4	ChEMBL_217300 (CHEMBL823921)	Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction
50043993	3	ChEMBL_217458 (CHEMBL823507)	Inhibition of alpha4-beta1 integrin connecting segment 1 (CS1) splice variant binding interaction
50008210	2	ChEMBL_219956 (CHEMBL841954)	Compound was tested for inhibition of human phosphomannose isomerase (PMI)
50008210	7	ChEMBL_223530 (CHEMBL845699)	Compound was tested for inhibition of yeast phosphomannose isomerase (PMI)
50008210	5	ChEMBL_222751 (CHEMBL846957)	Compound was evaluated for the inhibition constant against phosphomannose isomerase enzyme of Candida albicans (CaPMI)
50008210	6	ChEMBL_222752 (CHEMBL846958)	Compound was evaluated for the inhibition constant against human phosphomannose isomerase (huPMI)
50008211	2	ChEBML_140999	Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (combinatorially prepared compound)
50008211	5	ChEMBL_141000 (CHEMBL747008)	Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)
50008211	4	ChEMBL_141001 (CHEMBL747009)	Compound was tested for binding affinity against N-His (D381E) Interleukin -1 beta converting enzyme
50008211	3	ChEMBL_141002 (CHEMBL747010)	Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)
50034950	1	ChEBML_154921	In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.
50034950	2	ChEMBL_45324 (CHEMBL661012)	Inhibitory activity against cathepsin D
50008213	1	ChEBML_92390	Compound was evaluated for its inhibitory activity against Kallikrein
50034951	3	ChEMBL_199847 (CHEMBL804750)	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E
50034951	1	ChEBML_199845	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in Selectin E
50034951	2	ChEBML_148022	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin
50034951	7	ChEMBL_199845 (CHEMBL807515)	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in Selectin E
50034951	8	ChEMBL_148022 (CHEMBL751617)	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin
50034951	4	ChEMBL_148018 (CHEMBL883412)	Tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in P-selectin
50034951	5	ChEMBL_148024 (CHEMBL751619)	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in P-selectin; value ranges from 1.3-2
50034951	6	ChEMBL_148021 (CHEMBL751616)	Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in P-selectin; value ranges from 1-3
50008224	1	ChEBML_99856	Binding affinity against leukotriene D4 receptor in [3H]LTD4 binding assay
50041024	7	ChEMBL_1006 (CHEMBL616049)	Potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 1)
50041024	11	ChEMBL_1518 (CHEMBL616152)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes
50041024	6	ChEMBL_1007 (CHEMBL616050)	Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 2)
50008227	13	ChEMBL_32877 (CHEMBL648630)	Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in dog prostate tissue preparations
50008227	7	ChEMBL_32888 (CHEMBL648791)	Compound was evaluated for its affinity for alpha 1a receptor in human prostate tissue preparations
50008227	9	ChEMBL_32879 (CHEMBL648783)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human Alpha-1a adrenergic receptor stably expressed in Chinese Hamster Ovary (CHO) cells
50008227	10	ChEMBL_32887 (CHEMBL648790)	Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human prostate tissue preparations
50008227	15	ChEMBL_32876 (CHEMBL648629)	Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in dog aorta preparations
50008227	6	ChEMBL_32886 (CHEMBL648789)	Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human aorta preparations
50034952	5	ChEMBL_33022 (CHEMBL643947)	Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay
50034952	6	ChEMBL_33013 (CHEMBL643869)	Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay
50034952	7	ChEMBL_32885 (CHEMBL648788)	Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay
50008236	2	ChEBML_68477	In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]farnesyl from farnesyl pyrophosphate to H-Ras-CLVS.
50004544	4	ChEMBL_2263635	Inhibition of recombinant TC-PTP (unknown origin)
50004544	5	ChEMBL_2263636	Inhibition of recombinant LAR (unknown origin)
50004934	1	ChEMBL_2263728	Inhibition of wild type TRAK (unknown origin) incubated for 30 mins by caliper mobility shift assay
50034953	2	ChEBML_39622	Antagonistic activity against labelled Bombesin receptor bb1 binding sites in rat olfactory bulb by using [125I]- [Tyr] bombesin in presence of [D-Phe-6] bombesin(6-13)ethyl ester; 0.31-1.3
50034953	5	ChEMBL_39764 (CHEMBL650354)	Antagonistic activity against cloned human Bombesin receptor bb2 labeled with [125I]- [Tyr] bombesin stably expressed in CHO cells; 0.66-1.3
50008247	7	ChEMBL_196364 (CHEMBL805997)	Evaluated for inhibition of HIV-2 reverse transcriptase
50008247	1	ChEMBL_197451 (CHEMBL804236)	Evaluated for inhibition of HIV-1 reverse transcriptase
50008247	6	ChEBML_196366	Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL
50008247	5	ChEMBL_196366 (CHEMBL805999)	Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL
50008247	3	ChEMBL_196365 (CHEMBL805998)	Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/ml
50008247	2	ChEMBL_197453 (CHEMBL804238)	Compound was evaluated for inhibition of HIV-1 reverse transcriptase using rC.dG and [3H]dGTP as substrates at 100 ug/mL
50008247	4	ChEMBL_197452 (CHEMBL804237)	Compound was evaluated for inhibition of HIV-1 reverse transcriptase using rC.dG and [3H]dGTP as substrates at 100 ug/ml
50008249	6	ChEBML_155370	Inhibition of phosphodiesterase 5 at 20 uM
50008255	7	ChEMBL_62084 (CHEMBL672456)	Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was determined for low antagonist state in rat striatal membranes using [3H]spiperone
50008255	1	ChEMBL_62081 (CHEMBL672380)	Affinity of compound for the D2 receptors in rat striatal membranes was determined for low antagonist state in rat striatal membranes using [3H]spiperone
50008255	5	ChEBML_62083	Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was determined for low agonist state in rat striatal membranes using [3H]spiperone
50008255	4	ChEMBL_62083 (CHEMBL672455)	Affinity of compound for the Dopamine receptor D2 in rat striatal membranes was determined for low agonist state in rat striatal membranes using [3H]spiperone
50034957	1	ChEBML_221925	Binding affinity against mu opioid receptor
50034957	2	ChEBML_147138	Binding affinity against Opioid receptor delta 1
50034958	4	ChEBML_146364	Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes
50034958	2	ChEBML_147018	Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes
50034958	3	ChEBML_221923	Binding affinity against mu opioid receptor in guinea pig brain membranes
50034958	6	ChEMBL_221923 (CHEMBL842488)	Binding affinity against mu opioid receptor in guinea pig brain membranes
50000435	7	ChEMBL_138701 (CHEMBL747816)	Antimuscarinic potency and subset specificity was characterised by its inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M3 subtype
50000435	5	ChEBML_34104	Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.
50000435	4	ChEBML_138403	Antimuscarinic potency and subset specificity was characterised by inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M1 subtype
50000435	6	ChEBML_139121	Antimuscarinic potency and subset specificity was characterised by its inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M4 subtype
50000435	1	ChEBML_139754	Antimuscarinic potency and subset specificity was characterised by its inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M2 subtype
50000435	3	ChEMBL_138403 (CHEMBL744765)	Antimuscarinic potency and subset specificity was characterised by inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M1 subtype
50000435	2	ChEMBL_139753 (CHEMBL745194)	Antimuscarinic potency and subset specificity was characterised by inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M2 subtype
50000435	8	ChEMBL_138702 (CHEMBL747817)	Antimuscarinic potency and subset specificity was characterised by its inhibition of the [3H]NMS Muscarinic acetylcholine receptor M3 subtype
50000435	9	ChEBML_138700	Antimuscarinic potency and subset specificity was characterised by inhibition of the [3H]NMS Binding to Muscarinic acetylcholine receptor M3 subtype
50034958	5	ChEMBL_221936 (CHEMBL842475)	Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor.
50034958	7	ChEMBL_146364 (CHEMBL753812)	Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes
50008258	9	ChEMBL_87998 (CHEMBL697600)	Inhibition of LPS-induced p38-related TNF alpha release from human monocytes
50008258	8	ChEMBL_216822 (CHEMBL816401)	Inhibition of c-Jun N-terminal kinase 2-alpha 2
50008264	5	ChEBML_47406	Compound was tested for inhibition of human liver Cathepsin B
50008264	1	ChEBML_96776	Compound was tested for inhibition of human leucocyte elastase (HLE)
50008266	2	ChEMBL_159854 (CHEMBL765831)	Antagonist activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells
50008266	1	ChEBML_159728	Binding affinity against human progesterone receptor-A (hPR-A)
50008266	4	ChEMBL_159728 (CHEMBL766185)	Binding affinity against human progesterone receptor-A (hPR-A)
50008266	3	ChEMBL_159852 (CHEMBL765829)	Agonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells
50000439	1	ChEBML_148124	Inhibitory activity against Rat liver ornithine decarboxylase (ODC)
50000441	2	ChEBML_69927	In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor
50000441	1	ChEBML_28431	In vitro inhibitory activity against MOLT-4 T-cell leukemia cell AICAR transformylase
50000442	3	ChEMBL_59433 (CHEMBL872492)	Inhibitory activity against pig kidney L-aromatic amino acid decarboxylase (Dopamine decarboxylase)
50000442	2	ChEMBL_59432 (CHEMBL670451)	Inhibitory activity against pig kidney L-aromatic amino acid decarboxylase (Dopa decarboxylase)
50000442	4	ChEMBL_58142 (CHEMBL672886)	Inhibitory activity against pig kidney L-aromatic amino acid decarboxylase (Dopa decarboxylase)
50000442	1	ChEBML_59432	Inhibitory activity against pig kidney L-aromatic amino acid decarboxylase (Dopa decarboxylase)
50034959	1	ChEMBL_41264 (CHEMBL876071)	Compound was evaluated for irreversible inhibition of Horse serum Butyrylcholinesterase
50034959	2	ChEMBL_41086 (CHEMBL651727)	Compound was evaluated for its inhibitory concentration against Horse serum Butyrylcholinesterase
50034959	6	ChEMBL_41403 (CHEMBL653523)	Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec
50008273	2	ChEBML_158760	Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells incubated in low concentration of arachidonic acid
50008273	1	ChEMBL_159744 (CHEMBL762908)	In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells stably expressing human Prostaglandin G/H synthase 2
50008273	5	ChEMBL_159900 (CHEMBL768682)	Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB
50008273	4	ChEMBL_158760 (CHEMBL772922)	Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells incubated in low concentration of arachidonic acid
50008273	3	ChEBML_159900	Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE-2 produced by lipopolysaccharide-challenged HWB
50043994	2	ChEMBL_143855 (CHEMBL748859)	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand
50034960	1	ChEBML_199844	Compound was evaluated for the Selectin E binding activity.
50008279	1	ChEBML_158772	Compound was evaluated for inhibition of Protease
50007970	3	ChEMBL_91725 (CHEMBL702023)	Compound was tested for the inhibition of mammalian kynureninase in rat liver
50007977	1	ChEBML_80140	Compound was tested for the inhibition of HIV-1 reverse transcriptase
50034961	2	ChEBML_100238	Inhibition of the dual specificity kinase MEK-1
50034961	12	ChEBML_103380	Inhibition of the dual specificity kinase MEK-2
50034961	15	ChEMBL_28882 (CHEMBL645952)	Ability to antagonise AP-1 transcriptional activity
50008285	1	ChEBML_104628	Antagonistic activity against metabotropic glutamate receptor 1 (mGluR1) was evaluated
50034964	5	ChEBML_139933	Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand
50034964	1	ChEBML_139656	Stimulation of cAMP in CHO cells expressing human m2 receptor
50034965	1	ChEMBL_218529 (CHEMBL824467)	Compound was evaluated for the inhibition of rat liver KYN 3-OHase
50034965	5	ChEMBL_216337 (CHEMBL818751)	Inhibition of rat brain KYN 3-OHase.
50034965	9	ChEMBL_216338 (CHEMBL818752)	Compound was evaluated for the inhibition of rat brain KYN 3-OHase
50034965	10	ChEMBL_218528 (CHEMBL824466)	Inhibition of rat liver KYN 3-OHase.
50034965	3	ChEBML_216338	Compound was evaluated for the inhibition of rat brain KYN 3-OHase
50034965	7	ChEMBL_218530 (CHEMBL824468)	compound was evaluated for inhibition of rat liver KYN 3-OHase.
50034966	1	ChEBML_82665	Inhibition of Ha-ras polymerase-chain reaction product
50008320	2	ChEBML_38310	Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol
50000452	9	ChEMBL_139352 (CHEMBL752400)	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand
50000452	3	ChEMBL_138319 (CHEMBL748199)	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radioligand
50000452	8	ChEBML_138135	Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radioligand
50000452	6	ChEMBL_139354 (CHEMBL752402)	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand
50000452	2	ChEBML_138320	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 n guinea pig parotid gland using (-)-[3H]-QNB as radioligand
50000452	1	ChEMBL_138317 (CHEMBL747601)	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radioligand
50000452	4	ChEBML_139352	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand
50000452	5	ChEMBL_138135 (CHEMBL747394)	Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radioligand
50000452	7	ChEMBL_138320 (CHEMBL748200)	Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 n guinea pig parotid gland using (-)-[3H]-QNB as radioligand
50000453	6	ChEMBL_138959 (CHEMBL742771)	Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex
50000453	1	ChEMBL_140188 (CHEMBL744905)	Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem
50000453	5	ChEMBL_138958 (CHEMBL742770)	Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M1 in rat cortex
50000453	2	ChEMBL_140187 (CHEMBL744904)	Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M2 in rat brainstem
50008320	5	ChEMBL_38799 (CHEMBL652340)	Agonism against Beta-3 adrenergic receptor
50008321	1	ChEMBL_225775 (CHEMBL847681)	Ability to activate thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells prelabelled with myo-[3H] inositol
50008321	3	ChEMBL_210510 (CHEMBL811905)	Ability to bind thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells.
50008321	4	ChEMBL_210509 (CHEMBL811904)	Ability to activate thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells prelabelled with myo-[3H] inositol
50008329	6	ChEBML_226349	Inhibition of serine protease factor Xa enzyme.
50008329	7	ChEMBL_226348 (CHEMBL846421)	Compound was tested for the inhibition of serine protease factor Xa enzyme.
50008330	7	ChEBML_146661	Compound was tested for the inhibition of [35S]GTP-gamma-S, binding Opioid receptor kappa 1
50008330	8	ChEMBL_146523 (CHEMBL754631)	Binding affinity was determined as ability to displace [3H]-U-69, radioligand from Opioid receptor kappa 1
50008330	10	ChEMBL_221928 (CHEMBL842493)	Binding affinity was determined against Mu opioid receptor using [3H]-Naltrexone as radioligand
50008330	1	ChEBML_138743	Binding affinity was determined against Mu opioid receptor using [3H]naltrexone as radioligand
50008330	9	ChEBML_147165	Compound was tested for the inhibition of [35S]GTP-gamma-S, binding in Guinea pig Caudate stimulated by the Opioid receptor delta 1 agonist Delta-SNC80
50008330	6	ChEBML_221942	Binding affinity was determined as ability to displace [3H]DAMGO radioligand from Mu opioid receptor
50008330	11	ChEMBL_138743 (CHEMBL747916)	Binding affinity was determined against Mu opioid receptor using [3H]naltrexone as radioligand
50008330	3	ChEMBL_146661 (CHEMBL754577)	Compound was tested for the inhibition of [35S]GTP-gamma-S, binding Opioid receptor kappa 1
50008330	5	ChEMBL_146662 (CHEMBL753645)	Compound was tested for the inhibition of [35S]GTP-gamma-S, binding to Opioid receptor kappa 1
50008330	2	ChEBML_147042	Binding affinity was determined as ability to displace [3H]DADLE radioligand from Opioid receptor delta 1
50008333	6	ChEMBL_218094 (CHEMBL822541)	Affinity for alphaIIb-beta3 receptor
50008333	4	ChEMBL_79399 (CHEMBL692820)	Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates
50041026	2	ChEMBL_220414 (CHEMBL843254)	Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets
50008337	1	ChEBML_225581	Binding affinity against thrombin
50008337	2	ChEMBL_225581 (CHEMBL847937)	Binding affinity against thrombin
50043995	1	ChEBML_155182	Inhibition of phosphodiesterase (PDE) 4D
50043995	2	ChEBML_155174	Inhibition of phosphodiesterase (PDE) 4B
50043995	3	ChEBML_155039	Inhibition of phosphodiesterase (PDE) 4A
50008348	3	ChEMBL_216282 (CHEMBL819888)	Inhibitory activity against alpha-L-fucosidase in bovine epididymis at PH of 6.5; Competitive Inhibition type
50008348	1	ChEMBL_216284 (CHEMBL819890)	Inhibitory activity against alpha-L-fucosidase in bovine kidney at PH of 6.5; Mixed Inhibition type
50008349	1	ChEMBL_162106 (CHEMBL767797)	Binding affinity against Protein tyrosine phosphatase-1B (PTP1B)
50008349	3	ChEBML_162102	Inhibitory activity against PTP1B as a model Protein tyrosine transferase (PTP) using fluorescein diphosphate as substrate at Km concentration (20 uM) at th
50008356	2	ChEMBL_219514 (CHEMBL824491)	Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand
50008356	1	ChEBML_219514	Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand
50008361	1	ChEMBL_216273 (CHEMBL819880)	Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis
50008361	2	ChEMBL_216272 (CHEMBL819879)	Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney
50008361	5	ChEMBL_216163 (CHEMBL815334)	Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis
50008361	8	ChEMBL_216127 (CHEMBL816947)	Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1
50008361	9	ChEMBL_216126 (CHEMBL816946)	Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1
50008361	3	ChEMBL_216274 (CHEMBL819881)	Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney
50034972	6	ChEMBL_159050 (CHEMBL760812)	Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)
50034972	2	ChEMBL_159053 (CHEMBL760815)	Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)
50034972	4	ChEMBL_159548 (CHEMBL765836)	Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay
50034972	1	ChEBML_159053	Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)
50008368	1	ChEBML_152972	Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from PKCalpha (C1b domain)
50008369	3	ChEMBL_225795 (CHEMBL874056)	In vitro inhibitory activity against trypsin
50008417	1	ChEBML_84704	Binding affinity against Histamine H1 receptor using receptor binding assay in rat brain membranes
50034973	2	ChEMBL_72905 (CHEMBL874134)	Compound was tested for the inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)
50008433	1	ChEBML_52385	Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes
50008436	2	ChEMBL_208548 (CHEMBL814317)	The inhibitory activity against thrombin (IIa)
50043996	1	ChEBML_200335	Compound was tested for inhibition of specific [125I]Tyr11-SRIF binding to human recombinant SST5 (somatostatin) receptor expressed in CHO-K1 cells
50008447	3	ChEMBL_153634 (CHEMBL762530)	Final binding affinity against PPAR-gamma receptor
50008447	1	ChEMBL_153635 (CHEMBL762531)	Initial binding affinity against PPAR-gamma receptor
50034974	3	ChEBML_201663	Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter
50034974	4	ChEMBL_201663 (CHEMBL803037)	Inhibitory activity against radioligand [3H]paroxetine binding at the serotonin transporter
50034974	2	ChEBML_62153	Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter
50034974	1	ChEBML_142962	Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter
50034974	5	ChEMBL_142962 (CHEMBL750814)	Inhibitory activity against radioligand [3H]nisoxetine binding at the norepinephrine transporter
50007983	2	ChEBML_85846	Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligand
50007983	3	ChEBML_83922	Binding affinity to H-1 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine ligand
50007983	1	ChEMBL_85846 (CHEMBL693573)	Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligand
50007989	1	ChEBML_28186	In vitro inhibition of ACAT by incubation with [1-14C]oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.
50007990	10	ChEMBL_58479 (CHEMBL670410)	Agonistic activity towards dopamine D2 receptor using radioligand [3H]quinpirole in rat striatal membranes
50007990	7	ChEMBL_58480 (CHEMBL670411)	Antagonistic activity towards dopamine D2 receptor using radioligand [3H]spiperone in rat striatal membranes
50007990	2	ChEBML_58480	Antagonistic activity towards dopamine D2 receptor using radioligand [3H]spiperone in rat striatal membranes
50007990	5	ChEBML_1569	Binding affinity for 5-hydroxytryptamine 1A receptor
50007991	3	ChEBML_208314	Binding affinity towards thrombin was tested.
50007991	2	ChEBML_69662	Binding affinity towards complement factor Xa.
50034976	8	ChEMBL_162099 (CHEMBL767791)	Compound was evaluated for 50% inhibition of PTP1B using uM)
50034976	5	ChEMBL_39928 (CHEMBL655770)	Compound was evaluated for 50% inhibition of CD45 using uM)
50034976	1	ChEBML_162099	Compound was evaluated for 50% inhibition of PTP1B using uM)
50034976	7	ChEMBL_162107 (CHEMBL767798)	Compound was evaluated for inhibitory constant against PTP1B
50007939	3	ChEMBL_144140 (CHEMBL750755)	Binding affinity at cloned Neuropeptide Y-1 receptor expressed in AV-12 cells is evaluated.
50007947	1	ChEBML_158925	Inhibitory activity was evaluated against human Prostaglandin G/H synthase 1 was determined
50007952	4	ChEBML_147163	Compound was tested for binding affinity towards Opioid receptor delta 1 in guinea pig brain homogenates using [3H][p-Cl-Phe]-DPDPE as radioligand
50007952	2	ChEMBL_138747 (CHEMBL747920)	Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]CTOP as radioligand
50007952	1	ChEBML_138747	Compound was tested for binding affinity towards mu opioid receptor in guinea pig brain homogenates using [3H]CTOP as radioligand
50007914	9	ChEMBL_27796 (CHEMBL637623)	Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica
50007914	8	ChEMBL_27790 (CHEMBL637617)	Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica
50007914	10	ChEMBL_27808 (CHEMBL636518)	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes
50007914	1	ChEBML_27789	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica
50007914	5	ChEBML_27671	Compound was evaluated for the inhibition of acetylcholinesterase in electric eel
50007914	2	ChEMBL_27807 (CHEMBL636517)	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain
50007914	6	ChEMBL_27671 (CHEMBL637382)	Compound was evaluated for the inhibition of acetylcholinesterase in electric eel
50007914	7	ChEMBL_28152 (CHEMBL644107)	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes
50000468	2	ChEBML_195926	In vitro inhibition of purified human renin at a pH of 6.0.
50000468	1	ChEBML_195926	In vitro inhibition of purified human renin at a pH of 6.0.
50000468	4	ChEMBL_195925 (CHEMBL803394)	In vitro potency against human plasma renin at pH 7.4
50000468	3	ChEMBL_195926 (CHEMBL803395)	In vitro inhibition of purified human renin at a pH of 6.0.
50000469	3	ChEBML_195793	In vitro potency against plasma renin at a pH of 7.4
50000469	5	ChEMBL_195917 (CHEMBL803386)	In vitro potency against purified renin at a pH of 7.4
50000469	6	ChEMBL_195794 (CHEMBL802394)	In vitro potency against purified renin at a pH of 6.0.
50000469	1	ChEMBL_195792 (CHEMBL802392)	In vitro potency against plasma renin at a pH of 6.0
50000469	2	ChEBML_195793	In vitro potency against plasma renin at a pH of 7.4
50000469	7	ChEMBL_195793 (CHEMBL802393)	In vitro potency against plasma renin at a pH of 7.4
50000469	4	ChEMBL_223553 (CHEMBL845859)	In vitro potency against purified renin at a pH of 6.0.
50000470	2	ChEBML_195919	In vitro activity against human renin (pH 6.0)
50000470	3	ChEBML_195919	In vitro activity against human renin (pH 6.0)
50000470	4	ChEMBL_195918 (CHEMBL803387)	In vitro potency against human plasma renin at a pH of 7.4
50000470	5	ChEMBL_195919 (CHEMBL803388)	In vitro activity against human renin (pH 6.0)
50000470	1	ChEMBL_192727 (CHEMBL801754)	Inhibitory activity against renin in monkey plasma at pH 7.7
50000472	1	ChEBML_196726	Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcA
50000472	2	ChEMBL_196726 (CHEMBL804128)	Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcA
50007919	2	ChEMBL_68788 (CHEMBL683427)	Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) at pH 9.0
50007919	1	ChEMBL_68790 (CHEMBL683429)	Compound was tested for inhibitory potency against Fatty-acid amide hydrolase (FAAH) at pH 9.0
50007919	3	ChEMBL_68787 (CHEMBL683426)	Concentration required to inhibit Fatty-acid amide hydrolase (FAAH) at pH 7.0
50007919	5	ChEMBL_68789 (CHEMBL683428)	Concentration required to inhibit fatty acid amide hydrolase (FAAH) at pH 7.0
50007919	4	ChEBML_68790	Compound was tested for inhibitory potency against Fatty-acid amide hydrolase (FAAH) at pH 9.0
50034981	1	ChEBML_58472	Binding affinity against dopamine D2 receptor in rat brain synaptic membrane using [3H]-spiperone as radioligand
50034981	4	ChEMBL_3164 (CHEMBL617809)	Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand
50000480	8	ChEBML_138940	Binding affinity against muscarinic acetylcholine receptor M1 of rat cerebral cortex.
50000480	4	ChEMBL_138940 (CHEMBL745920)	Binding affinity against muscarinic acetylcholine receptor M1 of rat cerebral cortex.
50000480	11	ChEMBL_138961 (CHEMBL742773)	Binding affinity to m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands
50000480	5	ChEMBL_140176 (CHEMBL745628)	Binding affinity against m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart.
50000480	9	ChEBML_138961	Binding affinity to m-AcChR subtype Muscarinic acetylcholine receptor M3 of rat sabmandibular glands
50000480	1	ChEMBL_140178 (CHEMBL745630)	Binding affinity to m-AcChR subtype Muscarinic acetylcholine receptor M2 of rat heart
50000480	10	ChEMBL_138855 (CHEMBL748616)	Binding affinity against muscarinic acetylcholine receptor M2 of rat heart.
50000480	6	ChEMBL_222719 (CHEMBL844387)	Binding affinity against muscarinic acetylcholine receptor M1 of rat cerebral cortex.
50000480	3	ChEBML_139201	Binding affinity against muscarinic acetylcholine receptor M3 of rat sabmandibular glands
50000480	7	ChEMBL_222720 (CHEMBL844388)	Binding affinity to m-AcChR subtype M1 of rat cerebral cortex
50000480	2	ChEMBL_140177 (CHEMBL745629)	Binding affinity against muscarinic acetylcholine receptor M3 of rat sabmandibular glands
50007922	4	ChEBML_155400	The compound was tested for inhibitory activity against human plasmin
50007925	4	ChEMBL_1597 (CHEMBL616624)	Effective concentration determined by measuring inhibition of forskolin-stimulated c-AMP formation at 5-hydroxytryptamine 1B receptor stably transfected in CHO cell lines
50007928	4	ChEMBL_159464 (CHEMBL769251)	Inhibitory activity against HIV-1 Protease was determined
50007888	4	ChEMBL_71303 (CHEMBL857390)	Compound was evaluated for inhibition of Saccharomyces cerevisiae glyoxalase-I, activity i determined with 0.5 mM substrate
50007888	1	ChEMBL_71305 (CHEMBL686108)	Compound was evaluated for inhibition of Saccharomyces cerevisiae glyoxalase-I by using enzymatic assay at each of 6 substrate concentrations between 0.1 mM and 2.0 mM
50007888	2	ChEMBL_71304 (CHEMBL686107)	Compound was evaluated for inhibition of Saccharomyces cerevisiae glyoxalase-I, activity is determined with 0.5 mM substrate
50007889	3	ChEMBL_80095 (CHEMBL687819)	The compound was evaluated for inhibition of HIV protease
50007890	6	ChEMBL_58463 (CHEMBL670394)	In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]spiperone displacement.
50007890	4	ChEBML_58935	In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]spiperone displacement.
50007890	5	ChEBML_1563	In vitro binding affinity against 5-hydroxytryptamine 1A receptor in CHO cells
50007894	11	ChEMBL_65906 (CHEMBL679350)	Antagonistic activity against Estrogen receptor in co-transfected CV-1 cell
50007894	2	ChEMBL_36133 (CHEMBL648322)	Binding affinity against Androgen receptor transfected into COS cells
50007894	8	ChEMBL_36136 (CHEMBL648325)	Binding affinity against hAR androgen receptor expressed in COS cells
50007894	9	ChEMBL_36100 (CHEMBL884023)	Antagonistic activity (IC50) against human androgen receptor (hAR) in co-transfected CV-1 cell
50007894	5	ChEMBL_35824 (CHEMBL648595)	Agonistic activity (EC50) against human androgen receptor (hAR) in co-transfected CV-1 cell
50007894	12	ChEMBL_35825 (CHEMBL648596)	Agonistic activity (EC50) against human androgen receptor expressed in CV-1 cell
50007894	3	ChEMBL_36134 (CHEMBL648323)	Binding affinity against Androgen receptor expressed COS cells
50007896	8	ChEBML_105583	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 1 by measuring ACPD (100 uM)-stimulated phosphoinositide hydrolysis
50007896	15	ChEMBL_89233 (CHEMBL699725)	Binding affinity against Ionotropic glutamate receptor using [3H]- CGS-19755 displacement from rat forebrain preparations
50007896	14	ChEBML_89232	Binding affinity against Ionotropic glutamate receptor using ACPD sensitive [3H]- glutamate displacement from rat forebrain preparations
50007896	12	ChEMBL_89232 (CHEMBL699724)	Binding affinity against Ionotropic glutamate receptor using ACPD sensitive [3H]- glutamate displacement from rat forebrain preparations
50007898	6	ChEBML_210652	Inhibition of trypsin
50007898	4	ChEMBL_209097 (CHEMBL811699)	Concentration necessary to double the time required for clot formation induced by the addition of 4 NIH u/mL(final concentration) bovine thrombin.
50034984	2	ChEBML_92410	Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.
50007906	3	ChEBML_105373	Binding affinity was evaluated against matrix metalloprotease-9
50007875	3	ChEMBL_49442 (CHEMBL659791)	Compound was evaluated for inhibitory activity against human heart chymase (HHC)
50007875	2	ChEBML_49442	Compound was evaluated for inhibitory activity against human heart chymase (HHC)
50007880	2	ChEMBL_53904 (CHEMBL665115)	Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from Escherichia coli
50007880	3	ChEBML_53904	Compound was tested for binding affinity against N-Succinyl Diaminopimelic Acid Aminotransferase from Escherichia coli
50007880	1	ChEMBL_53899 (CHEMBL665110)	Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from Escherichia coli
50007883	2	ChEBML_99998	In vitro inhibition of [3H]LTD4 binding to guinea pig lung membrane
50008016	2	ChEMBL_36187 (CHEMBL649356)	Inhibition constant for human aromatase cytochrome P450 19A1 activity
50008023	8	ChEBML_38316	Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]iodocyanopindolol as the radioligand
50008023	11	ChEMBL_38173 (CHEMBL650244)	Compound was tested for agonist activity against cloned human beta-2 adrenergic receptor
50008023	1	ChEMBL_37251 (CHEMBL651572)	Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor
50008023	14	ChEMBL_38293 (CHEMBL647097)	Compound was tested for agonist activity against cloned human beta-2 adrenergic receptor at a concentration of 1000 nM
50008023	3	ChEMBL_37250 (CHEMBL651571)	Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor
50008023	9	ChEBML_37241	Agonist activity against cloned human beta-1 adrenergic receptor as percent activation of adenyl cyclase activity at a concentration of 1000 nM
50008023	15	ChEMBL_37383 (CHEMBL649973)	Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]iodocyanopindolol as the radioligand
50008024	2	ChEBML_38315	In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]iodocyanopindolol.
50008485	3	ChEBML_70049	Inhibitory activity against murine glycinamide ribonucleotide formyltransferase (GARFT) enzyme
50034989	4	ChEBML_160262	Inhibition of Protein kinase C alpha
50034989	1	ChEBML_50317	Inhibition of Cyclin-dependent kinase 1, CDK1-related human bladder carcinoma (T24) cell proliferation
50034989	6	ChEMBL_161915 (CHEMBL767994)	Inhibition of Protein kinase A
50034989	2	ChEMBL_50317 (CHEMBL661622)	Inhibition of Cyclin-dependent kinase 1, CDK1-related human bladder carcinoma (T24) cell proliferation
50034989	5	ChEBML_63595	Inhibit of epidermal growth factor receptor (EGFR)
50000487	1	ChEBML_31912	Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens
50008823	3	ChEMBL_60495 (CHEMBL674251)	Binding affinity to Dopamine receptor D1 by using radioligand [125I]SCH-23982 in HEK cells
50008823	4	ChEMBL_60359 (CHEMBL672094)	Potency in adenylate cyclase functional assay against Dopamine receptor D1
50000489	1	ChEBML_196103	The compound was tested in vitro for inhibition of human plasma renin.
50000494	1	ChEBML_31769	Inhibitory activity against aldose reductase isolated from human placenta
50008823	1	ChEBML_60495	Binding affinity to Dopamine receptor D1 by using radioligand [125I]SCH-23982 in HEK cells
50008827	1	ChEBML_38460	Compound was tested for its binding affinity to human Beta-2 adrenergic receptor by using the radioligand [3H]CGP-12177
50008829	1	ChEBML_160287	Displacement of phorbol 12,13-dibutyrate (PDBU) from recombinant Protein kinase C alpha
50034991	5	ChEMBL_138470 (CHEMBL746885)	Inhibitor constant was measured against Muscle phosphorylase b in rabbit
50034991	6	ChEMBL_99189 (CHEMBL711967)	Inhibitor constant was measured against Liver phosphorylase a in rat
50034991	2	ChEMBL_138468 (CHEMBL745186)	Inhibitor constant was measured against Muscle phosphorylase a in rabbit
50008835	1	ChEMBL_195756 (CHEMBL803423)	Inhibitory activity against human plasma renin
50008835	3	ChEMBL_195757 (CHEMBL803424)	Inhibitory activity against purified recombinant human renin
50008838	4	ChEMBL_86644 (CHEMBL693977)	Activation of human platelet aggregation (gel-filtered platelets) induced by alpha thrombin
50008838	1	ChEMBL_151863 (CHEMBL765376)	Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to thrombin receptor (PAR-1) on membranes from CHRF cells
50008838	2	ChEMBL_209265 (CHEMBL817562)	Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells
50008838	3	ChEBML_209265	Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to Thrombin receptor 1 (PAR-1) on membranes from CHRF cells
50000496	1	ChEBML_49341	Concentration inhibiting [3H]cocaine binding site to rat striatal membranes.
50000497	1	ChEBML_138852	Inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell
50000497	5	ChEBML_138935	Inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell
50008844	2	ChEBML_105543	Inhibition of Matrix metalloprotease-9 (MMP-9)
50008846	2	ChEBML_53605	Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase
50008846	1	ChEMBL_54284 (CHEMBL666803)	Inhibitory activity against dihydrofolate reductase in humans
50008846	3	ChEMBL_53605 (CHEMBL664356)	Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase
50034993	1	ChEBML_64294	Kinetic constant for human neutrophil elastase
50008872	1	ChEBML_157707	In vitro binding affinity against HIV protease at pH 6.2 was determined
50008872	5	ChEMBL_157545 (CHEMBL764929)	Binding affinity towards HIV protease was determined
50008872	2	ChEMBL_159438 (CHEMBL763234)	In vitro binding affinity against HIV protease at pH 6.2.
50034994	1	ChEMBL_35500 (CHEMBL646410)	Inhibition of pig kidney Aminopeptidase N
50034994	4	ChEBML_35500	Inhibition of pig kidney Aminopeptidase N
50034994	6	ChEMBL_35502 (CHEMBL646412)	Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+D stereoisomer)
50034994	10	ChEMBL_32826 (CHEMBL646477)	Inhibitory activity was measured on Aminopeptidase using GluNA as substrate
50000498	1	ChEBML_36055	Concentration inhibiting Aromatase
50000498	2	ChEBML_53758	Inhibition of bovine adrenal desmolase
50000498	3	ChEMBL_36055 (CHEMBL875011)	Concentration inhibiting Aromatase
50034994	7	ChEBML_35337	Inhibitory activity was measured on Aminopeptidase B using Arg p.NA as substrate
50034994	9	ChEMBL_35499 (CHEMBL646409)	Inhibitory activity was measured on Aminopeptidase N using Ala-p.NA as substrate
50034995	5	ChEMBL_154159 (CHEMBL762200)	Tested for the inhibitory activity against pepsin (First pure eluting diastereomer)
50034995	6	ChEMBL_159645 (CHEMBL763589)	Tested for the inhibitory activity against HIV protease (First pure eluting diastereomer)
50041028	1	ChEBML_151382	Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in the absence of 10 nM vincristine
50041028	2	ChEMBL_151382 (CHEMBL758145)	Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in the absence of 10 nM vincristine
50041028	3	ChEMBL_151383 (CHEMBL758146)	Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in the presence of 10 nM vincristine
50008891	6	ChEMBL_204742 (CHEMBL805435)	Inhibitory activity against human Steroid 5-alpha-reductase type 2 using 18213 3H testosterone 210 nM as substrate
50008891	4	ChEBML_204757	Inhibitory concentration against human Steroid 5-alpha-reductase type I in DU 145 cell culture using 3H androstenedione 5 nM as substrate
50008891	5	ChEBML_204888	Inhibitory activity against rat Steroid 5-alpha-reductase type I using 18213 3H testosterone 210 nM as substrate
50008892	2	ChEBML_199522	Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea
50008894	3	ChEBML_141936	Antagonist activity against rat 1A/2B subtype of N-methyl-D-aspartate (NMDA) receptor in xenopus oocytes.
50008921	1	ChEBML_201028	Binding affinity towards 5-HT1A receptor
50000502	4	ChEBML_138793	In vitro binding affinity against M1 receptor from rat hippocampus, using [3H]oxotremorine-M (Oxo-M) as radioligand.
50000502	3	ChEMBL_138797 (CHEMBL751533)	In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]pirenzepine (Pz) as radioligand
50000502	2	ChEMBL_138794 (CHEMBL752319)	In vitro binding affinity against Muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]oxotremorine-M (Oxo-M) as radioligand.
50000502	6	ChEMBL_138796 (CHEMBL752914)	In vitro binding affinity against muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]oxotremorine-M (Oxo-M) as radioligand
50000502	1	ChEMBL_138795 (CHEMBL752913)	In vitro binding affinity against Muscarinic acetylcholine receptor M1 from rat hippocampus, using [3H]pirenzepine (Pz) as radioligand.
50000502	5	ChEMBL_138793 (CHEMBL752318)	In vitro binding affinity against M1 receptor from rat hippocampus, using [3H]oxotremorine-M (Oxo-M) as radioligand.
50000506	1	ChEBML_225607	Inhibition of thymidylate synthase from L1210 cells
50008921	3	ChEBML_58202	Binding affinity towards Dopamine receptor D2
50000508	6	ChEBML_29291	Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]cyclohexyladenosine as radioligand.
50008923	11	ChEMBL_160794 (CHEMBL766605)	Displacement of [3H]PDBu from protein kinase C delta C1a domain
50008923	9	ChEBML_161314	Displacement of [3H]PDBu from protein kinase C eta C1b domain
50008923	6	ChEBML_160441	Displacement of [3H]PDBu from Protein kinase C alpha C1b domain
50000508	8	ChEMBL_27939 (CHEMBL649120)	Binding affinity against adenosine A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence of 50 nM cyclopentyl adenosine).
50008923	10	ChEMBL_161301 (CHEMBL772109)	Displacement of [3H]PDBu from protein kinase C gamma C1b domain
50008923	8	ChEMBL_161313 (CHEMBL772755)	Displacement of [3H]PDBu from protein kinase C eta C1b domain
50000508	7	ChEMBL_29623 (CHEMBL636641)	Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes
50008923	19	ChEMBL_160796 (CHEMBL767267)	Displacement of [3H]PDBu from protein kinase C delta C1a domain
50000508	3	ChEBML_29623	Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes
50008923	14	ChEMBL_160940 (CHEMBL769103)	Displacement of [3H]PDBu from protein kinase C delta C1b domain
50008923	4	ChEMBL_160441 (CHEMBL762312)	Displacement of [3H]PDBu from Protein kinase C alpha C1b domain
50008927	2	ChEBML_158752	Inhibition of Prostaglandin G/H synthase 1 in human whole blood (HWB) assay
50000508	2	ChEMBL_28996 (CHEMBL643471)	Binding affinity against adenosine A1 receptor from rat forebrain membranes using N6-[3H]cyclohexyladenosine
50000508	4	ChEMBL_29614 (CHEMBL639638)	Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes
50035001	2	ChEMBL_159756 (CHEMBL763082)	In vitro inhibitory activity against human whole cells (CHO) Prostaglandin G/H synthase 2
50000508	9	ChEMBL_27940 (CHEMBL649121)	Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes
50035001	8	ChEMBL_159755 (CHEMBL763081)	In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2
50035001	9	ChEMBL_158743 (CHEMBL768750)	In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 1
50035001	1	ChEMBL_158744 (CHEMBL768751)	In vitro inhibitory activity against human whole cells Prostaglandin G/H synthase 1
50035002	1	ChEMBL_62480 (CHEMBL677372)	Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes
50035002	2	ChEBML_62329	Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)
50035002	3	ChEBML_62329	Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)
50035002	4	ChEMBL_62329 (CHEMBL674268)	Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)
50008952	2	ChEBML_38319	In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]iodocyanopindolol as radioligand to stimulate increase in cAMP in CHO cells
50035003	2	ChEMBL_138242 (CHEMBL745492)	In vitro functional agonism against M3 muscarinic receptor (PI)
50035003	11	ChEMBL_139844 (CHEMBL745742)	Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand
50035003	12	ChEMBL_138244 (CHEMBL745494)	Binding affinity towards human muscarinic M3 receptor
50035003	7	ChEMBL_140088 (CHEMBL752965)	In vitro functional agonism against M2 muscarinic receptor (cAMP)
50035003	3	ChEBML_139844	Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand
50009040	1	ChEMBL_61800 (CHEMBL670553)	Ability to displace [3H]spiperone from the cloned human Dopamine receptor D2S stably expressed in Chinese hamster ovary (CHO) cells was determined.
50009040	3	ChEBML_61800	Ability to displace [3H]spiperone from the cloned human Dopamine receptor D2S stably expressed in Chinese hamster ovary (CHO) cells was determined.
50009042	1	ChEBML_30903	Inhibitory activity against Adenosine A2a receptor using [3H]NECA in rat striatal membranes
50009042	2	ChEBML_28550	Inhibitory activity against Adenosine A1 Receptor using [3H]CHA in rat cortical membranes
50009045	4	ChEMBL_41052 (CHEMBL651103)	Inhibitory activity against serine beta-lactamase, PC1 (class A) derived from Staphylococcus aureus
50009045	2	ChEMBL_41360 (CHEMBL656039)	Inhibitory activity against serine Beta-lactamase TEM derived from Staphylococcus aureus
50009045	3	ChEMBL_41050 (CHEMBL650472)	Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus
50009045	1	ChEBML_41050	Inhibitory activity against serine Beta-lactamase derived from Staphylococcus aureus
50035006	4	ChEMBL_225580 (CHEMBL847936)	In vitro anti-thrombin activity was determined
50009048	3	ChEMBL_79953 (CHEMBL687724)	Inhibitory activity was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 6.2
50009048	2	ChEBML_79977	Inhibitory activity was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7
50009048	1	ChEMBL_79977 (CHEMBL690415)	Inhibitory activity was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7
50009051	9	ChEMBL_28008 (CHEMBL642891)	Compound was tested for inhibitory activity against ACAT from canine intestine
50009051	4	ChEMBL_28178 (CHEMBL638584)	Compound was tested for inhibitory activity against ACAT from rabbit adrenal gland
50009051	8	ChEMBL_28009 (CHEMBL875246)	Compound was tested for inhibitory activity against ACAT from canine liver
50009051	6	ChEMBL_28180 (CHEMBL638586)	Compound was tested for inhibitory activity against ACAT from rabbit liver
50009051	5	ChEMBL_28014 (CHEMBL641213)	Compound was tested for inhibitory activity against ACAT from U937 microsome in human
50009051	7	ChEMBL_28007 (CHEMBL642890)	Compound was tested for inhibitory activity against ACAT from canine adrenal gland
50009051	2	ChEMBL_28013 (CHEMBL641212)	Compound was tested for inhibitory activity against ACAT from HepG2 microsome in human
50009051	10	ChEMBL_28179 (CHEMBL638585)	Compound was tested for inhibitory activity against ACAT from rabbit intestine
50009051	11	ChEMBL_28012 (CHEMBL641211)	Compound was tested for inhibitory activity against ACAT from Caco-2 microsome in human
50009051	3	ChEBML_28180	Compound was tested for inhibitory activity against ACAT from rabbit liver
50009051	1	ChEBML_28007	Compound was tested for inhibitory activity against ACAT from canine adrenal gland
50009054	1	ChEMBL_90659 (CHEMBL700890)	Inhibitory concentration against imidazole glycerol phosphate dehydratase (IGPD) from Cryptococcus neoformans
50009054	3	ChEMBL_90660 (CHEMBL700891)	Binding affinity imidazole glycerol phosphate dehydratase (IGPD) obtained from Cryptococcus neoformans
50009054	2	ChEBML_90659	Inhibitory concentration against imidazole glycerol phosphate dehydratase (IGPD) from Cryptococcus neoformans
50035008	5	ChEMBL_70277 (CHEMBL681416)	Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein
50035008	6	ChEMBL_71680 (CHEMBL681672)	In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein
50009092	3	ChEMBL_58759 (CHEMBL669147)	Displacement of [3H]quinpirole from human dopamine D2A receptors expressed in LtK cells
50009092	4	ChEMBL_58760 (CHEMBL669148)	Displacement of [3H]raclopride from human dopamine D2A receptors expressed in LtK cells
50009092	1	ChEMBL_58757 (CHEMBL669145)	Inhibition of [3H]quinpirole binding to human dopamine D2A receptor expressed in LtK cells
50009093	1	ChEMBL_219002 (CHEMBL818770)	Inhibition of [3H]-DCG IV binding on rat mGluR2 transfected cell membranes from CHO cells
50009099	5	ChEMBL_158916 (CHEMBL873629)	Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood
50009099	4	ChEMBL_211731 (CHEMBL815860)	Inhibitory activity against Human Cyclooxygenase-1 ( COX-1 ) in U937 Microsome COX-1 assay
50009099	2	ChEMBL_158912 (CHEMBL763300)	Inhibitory activity against Human Prostaglandin G/H synthase 1 in U937 Microsome COX-1 assay
50009099	3	ChEMBL_158736 (CHEMBL768743)	In vitro inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay
50035010	2	ChEMBL_46441 (CHEMBL873195)	Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes
50035010	4	ChEMBL_46313 (CHEMBL663457)	Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes in presence of agonist 5'-guanylyimidodiphosphate 50 uM
50009110	3	ChEMBL_212902 (CHEMBL822095)	Inhibition constant (Ki) when mixed with p-nitroanilide against trypsin enzyme for the conversion of water-soluble compound to fluorescent oil-soluble compound
50035012	1	ChEBML_29231	Inhibitory potency against acetylcholinesterase (AChE) of rat cortex homogenate with ethopropazine as BChE inhibitor
50035012	2	ChEBML_41579	Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor
50035013	1	ChEMBL_202591 (CHEMBL806415)	Inhibition of binding to Src SH2 domain
50035013	3	ChEMBL_202593 (CHEMBL806417)	Binding affinity for Src SH2 domain
50009127	2	ChEMBL_4309 (CHEMBL618417)	Measuring the affinity of leukotriene synthesis inhibitor for 5-lipoxygenase activating protein by using [125I]L-691831 as radioligand.
50009131	13	ChEMBL_27436 (CHEMBL642660)	Inhibitory activity against membranes from yeast cells transformed with human A1 receptor (hA1)
50009131	10	ChEMBL_27434 (CHEMBL640188)	Inhibitory activity against binding of [3H]DPCPX to human A1 receptor (hA1) using competition binding assay
50009131	3	ChEMBL_30749 (CHEMBL649780)	Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)
50009131	4	ChEBML_30748	Inhibitory activity against binding of [3H]CGS-21680 to human A2a receptor (hA2a) using competition binding assay
50009131	2	ChEMBL_27911 (CHEMBL642159)	Inhibitory activity against binding of the [3H]DPCPX to human A1 receptor (hA1) radioligands using competition binding assay
50009131	11	ChEBML_27911	Inhibitory activity against binding of the [3H]DPCPX to human A1 receptor (hA1) radioligands using competition binding assay
50009131	9	ChEMBL_27435 (CHEMBL640189)	Inhibitory activity against human A1 receptor (hA1) on membranes from yeast cells
50009131	14	ChEMBL_30748 (CHEMBL649779)	Inhibitory activity against binding of [3H]CGS-21680 to human A2a receptor (hA2a) using competition binding assay
50009131	12	ChEMBL_30758 (CHEMBL649789)	Inhibitory activity against binding of the [3H]CGS-21680 to human A2a receptor (hA2a) radioligands using competition binding assay
50009131	8	ChEMBL_27432 (CHEMBL646675)	Binding affinity against human A1 receptor (hA1) was measured through displacement of [3H]DPCPX using yeast cell membranes
50009131	6	ChEMBL_27586 (CHEMBL644138)	Binding affinity towards human A1 receptor (hA1) was measured through displacement of [3H]-DPCPX using mammalian cell membranes
50009173	2	ChEMBL_1693 (CHEMBL616900)	Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in chinese hamster cells (CHO cells)
50009173	1	ChEBML_1681	Measurement of agonist induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor
50009173	3	ChEMBL_1681 (CHEMBL617041)	Measurement of agonist induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor
50009174	2	ChEMBL_208354 (CHEMBL813664)	Binding affinity against thrombin
50009174	5	ChEMBL_207994 (CHEMBL816076)	Inhibitory activity against human thrombin
50009174	3	ChEMBL_210655 (CHEMBL811779)	Compound was tested for the binding affinity against trypsin
50009174	1	ChEBML_207994	Inhibitory activity against human thrombin
50009174	4	ChEBML_212710	Inhibitory activity against human trypsin
50009175	4	ChEMBL_208129 (CHEMBL818158)	Inhibitory concentration required against thrombin was determined
50009175	2	ChEMBL_208527 (CHEMBL873984)	Inhibition of thrombin
50009176	1	ChEBML_199521	Inhibitory activity against Scytalone dehydratase
50000519	3	ChEMBL_159304 (CHEMBL769357)	In vitro inhibition of HIV-Protease, using a peptide hydrolysis assay
50000519	4	ChEMBL_159303 (CHEMBL769356)	In vitro inhibition of HIV protease, using a peptide hydrolysis assay
50000519	2	ChEBML_157569	In vitro inhibition of HIV-Protease, using a peptide hydrolysis assay
50009176	2	ChEMBL_199521 (CHEMBL802495)	Inhibitory activity against Scytalone dehydratase
50035016	1	ChEBML_45153	Inhibitory activity against human liver Cathepsin D using Cathepsin D assay.
50000519	1	ChEMBL_157569 (CHEMBL763320)	In vitro inhibition of HIV-Protease, using a peptide hydrolysis assay
50009180	5	ChEMBL_49006 (CHEMBL662887)	In vitro inhibitory activity against human Cell division cycle 25A
50035017	3	ChEBML_48479	In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex
50035017	1	ChEBML_48299	In vitro evaluation of inhibitory activity against Coagulation factor II in prothrombinase complex
50000520	1	ChEBML_48261	Evaluated for inhibition of [125I]CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 uM (in vitro)
50035017	2	ChEBML_210659	In vitro evaluation of inhibitory activity against trypsin
50009187	8	ChEBML_160980	In vitro inhibitory activity against human prothrombinase
50009187	9	ChEMBL_160980 (CHEMBL769320)	In vitro inhibitory activity against human prothrombinase
50009187	2	ChEBML_160980	In vitro inhibitory activity against human prothrombinase
50009187	7	ChEMBL_160981 (CHEMBL769321)	In vitro inhibitory activity against prothrombinase
50009187	10	ChEMBL_48630 (CHEMBL659611)	In vitro inhibitory activity against human enzyme Coagulation factor X
50009191	7	ChEMBL_61465 (CHEMBL671446)	Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium
50009191	6	ChEMBL_61793 (CHEMBL670547)	Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2 low affinity without GTP and sodium
50009191	2	ChEBML_61465	Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium
50009191	5	ChEBML_61465	Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor D2 without GTP and sodium
50009197	1	ChEBML_71726	Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand
50009197	3	ChEMBL_71726 (CHEMBL680405)	Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand
50009232	1	ChEBML_195502	Inhibitory activity against recombinant HIV-1 reverse transcriptase (rRT)
50009236	2	ChEBML_104647	Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.
50009236	1	ChEBML_104648	Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.
50009239	1	ChEBML_139003	In vitro binding affinity towards mu opioid receptors was determined using [3H][p-Cl-Phe]- 4] DPDPE or [3H]deltorphin II
50009239	2	ChEBML_147331	In vitro binding affinity towards Opioid receptor delta 1 was determined using [3H]-DAMGO or [3H]CTOP
50009241	2	ChEMBL_52384 (CHEMBL663216)	In vitro binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes
50009241	1	ChEBML_52040	In vitro binding of cysLT1 receptor to guinea pig lung membranes.
50009267	1	ChEBML_149051	In vivo antagonistic activity against cloned human oxytocin receptor over-expressed in a stable HEK293 cell line
50009268	10	ChEBML_143320	Inhibition of NMDA response at NR1A/2B receptor expressed in Xenopus oocytes
50000526	3	ChEBML_68805	Binding affinity towards Folyl polyglutamate synthetase (FPGS)
50000526	2	ChEMBL_68541 (CHEMBL677126)	Binding affinity towards Folyl polyglutamate synthetase (FPGS)
50000526	1	ChEBML_209976	Compound was tested for the inhibition of recombinant mouse thymidylate synthase, competitive with 5,10-methylenetetrahydrofolate as variable substrate
50000529	1	ChEBML_34815	Concentration required to inhibit binding of radioligand [125I]AII to Angiotensin II receptor, type 1 in rat adrenal glomerulosa tissue
50000529	2	ChEMBL_34815 (CHEMBL648959)	Concentration required to inhibit binding of radioligand [125I]AII to Angiotensin II receptor, type 1 in rat adrenal glomerulosa tissue
50009270	3	ChEMBL_101934 (CHEMBL710563)	Inhibitory activity against matrix metalloprotease-2 (MMP-2).
50009270	2	ChEBML_101934	Inhibitory activity against matrix metalloprotease-2 (MMP-2).
50009272	4	ChEMBL_162011 (CHEMBL764862)	Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp
50009272	3	ChEMBL_162186 (CHEMBL766706)	Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte
50009272	1	ChEBML_162186	Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte
50035020	3	ChEMBL_209046 (CHEMBL878743)	The compound was evaluated in vitro for the thrombin inhibition.
50035021	15	ChEMBL_32884 (CHEMBL648787)	Binding affinity against human Alpha-1a adrenergic receptor
50035021	4	ChEMBL_33012 (CHEMBL643868)	Binding affinity against human Alpha-1b adrenergic receptor
50035021	16	ChEBML_33795	Binding affinity against human Alpha-2b adrenergic receptor
50035021	1	ChEMBL_33021 (CHEMBL643946)	Binding affinity against human Alpha-1d adrenergic receptor
50009277	1	ChEMBL_158959 (CHEMBL764419)	Inhibitory activity against HCMV protease by HPLC assay
50009277	3	ChEBML_158959	Inhibitory activity against HCMV protease by HPLC assay
50009277	4	ChEMBL_158961 (CHEMBL769697)	Inhibitory activity against HCMV protease by SPA assay
50008492	4	ChEBML_101745	Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).
50008497	4	ChEMBL_159905 (CHEMBL772071)	Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells
50008497	5	ChEMBL_159912 (CHEMBL768961)	Inhibition of purified recombinant human Prostaglandin G/H synthase 2
50008497	3	ChEMBL_158761 (CHEMBL772923)	Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay
50008497	1	ChEBML_159905	Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells
50008497	2	ChEBML_158761	Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay
50008497	6	ChEMBL_158765 (CHEMBL772926)	Inhibition of purified recombinant human Prostaglandin G/H synthase 1
50000534	1	ChEMBL_38462 (CHEMBL652419)	Binding affinity towards Beta-2 adrenergic receptor in human peripheral mononuclear leukocyte membranes using [125I]pindolol
50000534	3	ChEMBL_1133 (CHEMBL616078)	Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]8-OH-DPAT from rat cortical membranes
50000534	6	ChEMBL_33276 (CHEMBL643614)	Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]prazosin from rat cortical membranes
50000534	5	ChEMBL_33277 (CHEMBL644237)	Binding affinity measured for alpha-1 adrenergic receptor by displacement of [3H]prazosin from rat cortical membranes
50000534	2	ChEMBL_1132 (CHEMBL616077)	Binding affinity for 5-HT1A measured by displacing [3H]8-OH-DPAT from rat cortical membranes; Not determined
50008498	2	ChEBML_160134	Displacement of [3H]PDBu from human recombinant Protein kinase C alpha
50008498	1	ChEMBL_160257 (CHEMBL768537)	Displacement of [3H]PDBu from human recombinant Protein kinase C alpha
50008503	1	ChEBML_104705	In vitro inhibitory activity against matrix metalloprotease-3
50008503	5	ChEMBL_105232 (CHEMBL712563)	In vitro inhibitory activity against matrix metalloprotease-9
50008513	2	ChEMBL_68785 (CHEMBL683424)	Inhibitory constant against Fatty-acid amide hydrolase (FAAH) in rat liver
50008513	3	ChEMBL_68782 (CHEMBL683421)	Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) in rat liver
50008513	1	ChEBML_68782	Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) in rat liver
50008515	10	ChEMBL_37443 (CHEMBL648539)	Inhibition of beta-glucosidase from Caldocellum saccharolyticum
50008515	11	ChEMBL_39370 (CHEMBL653245)	Inhibition of beta-galactosidase from Aspergillus niger
50008515	6	ChEMBL_39389 (CHEMBL659247)	Inhibition of beta-galactosidase from Aspergillus oryzae
50008515	8	ChEBML_39370	Inhibition of beta-galactosidase from Aspergillus niger
50008515	2	ChEMBL_37445 (CHEMBL876754)	Inhibition of beta-glucosidase from Caldocellum saccharolyticum
50008518	5	ChEMBL_33609 (CHEMBL652816)	Binding affinity against Alpha-1A adrenergic receptor in human prostatic tissue
50035024	3	ChEBML_58552	Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes
50009339	1	ChEBML_138246	Displacement of [3H]methylscopolamine binding to muscarinic M3 receptor in submaxillary salivary glands of rats.
50009339	2	ChEBML_139954	Displacement of [3H]pirenzepine binding to muscarinic M1 receptor in brain cortex of rat.
50009339	3	ChEBML_140104	Displacement of [3H]methylscopolamine binding to muscarinic M2 receptor in rat heart.
50000536	1	ChEMBL_201262 (CHEMBL804880)	Displacement of [3H]DTG from sigma opioid receptor of homogenized guinea pig whole brain
50000537	1	ChEMBL_146418 (CHEMBL757170)	Binding affinity against opioid receptor mu using [3H]etorphine as a radioligand
50000537	2	ChEMBL_145370 (CHEMBL753138)	Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand
50035025	8	ChEMBL_135943 (CHEMBL744713)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition
50035025	10	ChEMBL_92404 (CHEMBL701398)	Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI
50035025	2	ChEBML_92404	Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI
50035025	11	ChEMBL_53428 (CHEMBL666119)	Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI
50035025	1	ChEBML_53428	Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI
50035025	7	ChEMBL_138731 (CHEMBL747753)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP
50035025	6	ChEMBL_138733 (CHEMBL747755)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition
50035025	3	ChEBML_138731	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP
50009313	5	ChEMBL_61618 (CHEMBL673074)	Displacement of [3H]spiperone from human Dopamine receptor D2L expressed in CHO cells
50009313	6	ChEMBL_61816 (CHEMBL672580)	Displacement of [3H]spiperone from human Dopamine receptor D2S expressed in CHO cells
50009313	3	ChEBML_61816	Displacement of [3H]spiperone from human Dopamine receptor D2S expressed in CHO cells
50009314	6	ChEMBL_155396 (CHEMBL765937)	Compound was tested for inhibition of plasmin
50009314	7	ChEBML_210833	Compound was tested for inhibition of tryptase
50009317	3	ChEBML_105820	Inhibitory activity against matrix metalloprotease (MMP-9)
50009317	2	ChEBML_105816	Inhibitory activity against matrix metalloprotease (MMP-1)
50009317	4	ChEBML_105818	Inhibition of matrix metalloprotease (MMP-3)
50000540	6	ChEMBL_3916 (CHEMBL883710)	Compound was tested for the inhibition of 5-lipoxygenase (5-LPO) in rat basophilic leukemia (RBL) cells.
50000540	5	ChEBML_3917	Compound was tested for the inhibition of 5-lipoxygenase (5-Lpo) in rat whole blood.
50000540	2	ChEBML_3800	Inhibition of 5-lipoxygenase in human whole blood.
50000540	7	ChEMBL_3799 (CHEMBL619874)	Inhibition of 5-lipoxygenase in human whole blood.
50000540	4	ChEBML_3863	Inhibition of 5-lipoxygenase in mouse macrophages.
50000540	8	ChEMBL_3862 (CHEMBL618766)	Inhibition of 5-lipoxygenase in mouse macrophages.
50000540	1	ChEMBL_3800 (CHEMBL619875)	Inhibition of 5-lipoxygenase in human whole blood.
50000540	9	ChEMBL_4045 (CHEMBL620776)	Compound was tested for the inhibition of 5-lipoxygenase (5-Lpo) in guinea pig.
50000540	3	ChEMBL_3863 (CHEMBL618767)	Inhibition of 5-lipoxygenase in mouse macrophages.
50009318	4	ChEBML_37282	Inhibitory activity against beta-galactosidase from bovine liver
50035968	1	ChEBML_30795	Compound was tested for the inhibition of Adenosine deaminase from calf intestine.
50044008	1	ChEMBL_58818 (CHEMBL857791)	Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the dopamine receptor D1
50044008	2	ChEMBL_60948 (CHEMBL670968)	Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the dopamine receptor D2
50009318	5	ChEBML_34249	Inhibitory activity against alpha-galactosidase from coffee bean.
50009318	6	ChEBML_34258	Inhibitory activity against alpha-galactosidase from rat epididymis.
50009344	2	ChEBML_51686	In vitro inhibitory potency against human COX-1 in stably transfected chinese hamster ovary (CHO) cells
50009344	5	ChEMBL_51682 (CHEMBL664784)	In vitro inhibitory potency against U-937 microsomal COX-1
50009344	1	ChEMBL_51686 (CHEMBL664788)	In vitro inhibitory potency against human COX-1 in stably transfected chinese hamster ovary (CHO) cells
50009344	7	ChEMBL_51706 (CHEMBL665721)	In vitro inhibitory potency against human COX-2 in stably transfected chinese hamster ovary (CHO) cells
50009344	6	ChEMBL_51705 (CHEMBL665720)	In vitro inhibitory potency against human COX-2 (HWB COX-2) by whole blood assay
50009344	8	ChEMBL_51684 (CHEMBL664786)	In vitro inhibitory potency against human COX-1 (HWB COX-2) by whole blood assay
50009344	4	ChEBML_51705	In vitro inhibitory potency against human COX-2 (HWB COX-2) by whole blood assay
50009345	3	ChEBML_51691	Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.
50009345	1	ChEMBL_51858 (CHEMBL664079)	Inhibition of PGE-2 production in CHO cells expressing human COX-2.
50009345	4	ChEMBL_51857 (CHEMBL884351)	Inhibitory potency against PGE-2 production in the human whole blood (HWB COX-2) assay
50009345	2	ChEBML_51857	Inhibitory potency against PGE-2 production in the human whole blood (HWB COX-2) assay
50000547	1	ChEBML_145209	Displacement of [3H]bremazocine from opioid receptor kappa of guinea pig membrane.
50009345	5	ChEMBL_51691 (CHEMBL665706)	Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes.
50009348	5	ChEMBL_62953 (CHEMBL878145)	Inhibition of monoamine [3H]DA reuptake
50009348	4	ChEMBL_62945 (CHEMBL675529)	Binding affinity against dopamine transporter (DAT) was evaluated using competitive binding assay and [3H]mazindol as a radioligand
50009348	6	ChEMBL_202305 (CHEMBL810767)	Inhibition of monoamine [3H]5-HT reuptake
50035028	1	ChEMBL_941 (CHEMBL616120)	Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells
50035028	3	ChEBML_618	Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells
50035029	4	ChEMBL_62638 (CHEMBL676683)	Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter
50035029	1	ChEMBL_62321 (CHEMBL674260)	Displacement of [3H]mazindol from cocaine binding site on Dopamine transporter (DAT)
50009435	1	ChEMBL_154215 (CHEMBL759460)	Binding affinity against human Peroxisome proliferator activated receptor gamma (PPAR gamma)
50035030	1	ChEBML_138732	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP
50035030	3	ChEMBL_138732 (CHEMBL747754)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP
50035030	10	ChEMBL_53442 (CHEMBL666292)	Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI
50035030	7	ChEBML_92405	Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI
50035030	8	ChEMBL_138736 (CHEMBL747758)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition
50035030	6	ChEBML_53442	Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI
50035030	2	ChEBML_92553	Binding affinity towards opioid kappa receptor using [3H]U-69593 as radioligand
50000551	3	ChEBML_60521	Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum
50000551	11	ChEMBL_62257 (CHEMBL675484)	Binding affinity using [3H]-spiperone radioligand competitive binding assay against dopamine receptor D2
50035030	9	ChEMBL_92397 (CHEMBL699547)	Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI
50000551	2	ChEBML_60188	Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina
50000551	8	ChEMBL_60521 (CHEMBL674932)	Inhibition of Dopamine receptor D1 activity by functional cyclase assay using cell free homogenate of rat striatum
50000551	4	ChEBML_1111	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in competitive binding assay
50035030	11	ChEMBL_138734 (CHEMBL747756)	Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition
50000551	18	ChEMBL_58366 (CHEMBL672803)	Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland
50000551	13	ChEBML_218252	Binding affinity towards beta-1 adrenergic receptor using [3H]iodocyanopindolol as radioligand in competitive binding assay
50000551	6	ChEBML_58366	Concentration required to inhibit 50% dopamine receptor D2 in a cell free homogenate of intermediate lobe of pituitary gland
50000551	14	ChEMBL_216005 (CHEMBL820507)	Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin as radioligand in competitive binding assay
50000551	1	ChEBML_1857	Binding affinity towards 5-hydroxytryptamine 1C receptor using [125 I]-SCH23982 as radioligand in competitive binding assay
50000551	19	ChEMBL_58641 (CHEMBL666355)	Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1
50035030	12	ChEMBL_92405 (CHEMBL701399)	Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI
50000551	9	ChEMBL_1131 (CHEMBL616076)	Binding affinity was evaluated by using [3H]8-OH-DPAT radioligand by using competitive binding assay on 5-hydroxytryptamine 1A receptor
50000551	16	ChEMBL_34448 (CHEMBL651980)	Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin as radioligand in competitive binding assay
50009440	5	ChEMBL_138483 (CHEMBL749096)	Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evaluated by ligand inhibition assay
50009440	6	ChEMBL_138484 (CHEMBL749713)	Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evaluated by ligand inhibition assay
50000551	15	ChEMBL_2253 (CHEMBL617197)	Binding affinity towards 5-hydroxytryptamine 2- receptor using [3H]ketanserin as radioligand in competitive binding assay
50009442	7	ChEMBL_53446 (CHEMBL666296)	Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]Cl-DPDPE as radioligand
50009442	8	ChEMBL_138857 (CHEMBL747703)	Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand
50009442	6	ChEBML_53447	Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]Cl-DPDPE as radioligand.
50009442	4	ChEMBL_138858 (CHEMBL747704)	Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]DAMGO as radioligand
50000551	17	ChEMBL_34221 (CHEMBL648715)	Binding affinity towards alpha-2 adrenergic receptor using [3H]rauwolscine as radioligand in competitive binding assay
50009442	5	ChEMBL_92549 (CHEMBL884407)	Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U-69593 as radioligand
50009442	9	ChEMBL_92547 (CHEMBL699593)	Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U-69593 as radioligand.
50009442	2	ChEBML_92549	Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U-69593 as radioligand
50000553	2	ChEBML_146436	Affinity for opioid receptor delta sites
50009448	2	ChEMBL_80607 (CHEMBL690000)	Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system
50009448	1	ChEBML_80607	Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assay system
50000553	3	ChEBML_146256	Affinity for opioid receptor mu sites
50000553	1	ChEMBL_146437 (CHEMBL757334)	Binding affinity was measured on opioid receptor delta sites.
50000553	4	ChEBML_145222	Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig
50000554	10	ChEBML_1117	Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radioligand
50035031	7	ChEMBL_92407 (CHEMBL701401)	Ability to inhibit binding of U-69,593 to kappa opioid receptor
50035031	5	ChEMBL_138888 (CHEMBL747880)	Ability to inhibit binding of [3H]DAMGO to mu opioid receptor
50000554	3	ChEBML_58640	Binding affinity towards Dopamine receptor D1 using [3H]SCH-23390 as radioligand
50000554	7	ChEBML_1796	Binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT as radioligand
50035031	6	ChEBML_92406	Ability to displace [3H]U-69593 from kappa opioid receptor
50035031	1	ChEMBL_92406 (CHEMBL701400)	Ability to displace [3H]U-69593 from kappa opioid receptor
50035031	8	ChEMBL_138887 (CHEMBL747879)	Ability to displace [3H]DAMGO from mu opioid receptor
50000554	8	ChEBML_3063	Binding affinity towards 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as radioligand
50035031	4	ChEMBL_53586 (CHEMBL665474)	Ability to displace [3H]DADL from delta opioid receptor
50009453	4	ChEBML_136095	In vitro mu opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in guinea pig ileum (GPI)
50009453	5	ChEMBL_135947 (CHEMBL744717)	Compound was tested for its ability to activate mu opioid receptor in GPI bioassay
50000554	5	ChEBML_52584	Binding affinity towards D2-dopaminergic receptor using [3H]NMSP as radioligand
50000554	2	ChEBML_1638	Binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT as radioligand
50000554	1	ChEBML_1858	Binding affinity towards 5-hydroxytryptamine 1C receptor using [3H]mesulergine as radioligand
50009453	1	ChEMBL_136095 (CHEMBL745617)	In vitro mu opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in guinea pig ileum (GPI)
50009453	2	ChEBML_139004	Compound was tested for binding affinity against mu opioid receptor binding assay
50008576	1	ChEBML_212262	Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in Escherichia coli strain JB 1104
50008576	2	ChEMBL_212262 (CHEMBL816287)	Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using direct deacetylase assay (DEACET) in Escherichia coli strain JB 1104
50008576	3	ChEMBL_212260 (CHEMBL816285)	Inhibition of UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase using coupled radiochemical assay (WAVE) in Escherichia coli strain JB 1104
50008578	3	ChEMBL_70880 (CHEMBL684538)	Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)
50008578	2	ChEMBL_216335 (CHEMBL818749)	Inhibition of specific binding of [3H]BK to bradykinin B2 receptors of guinea pig ileum (GPI)
50008578	1	ChEBML_70880	Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)
50008578	4	ChEMBL_216334 (CHEMBL818748)	Inhibition of specific binding of [3H]BK to bradykinin B2 receptors of guinea pig ileum (GPI)
50000559	2	ChEBML_31107	The compound was tested for binding affinity towards adenosine deaminase
50000560	4	ChEBML_216659	Inhibition of cGMP hydrolysis by human platelet phosphodiesterase
50000560	1	ChEMBL_216659 (CHEMBL821140)	Inhibition of cGMP hydrolysis by human platelet phosphodiesterase
50035033	1	ChEBML_53588	Binding affinity evaluated by inhibition of binding of [3H]DADLE to delta opioid receptor of rat brain
50035033	2	ChEMBL_53588 (CHEMBL665476)	Binding affinity evaluated by inhibition of binding of [3H]DADLE to delta opioid receptor of rat brain
50008587	5	ChEBML_88808	Compound tested for the inhibition of Staphylococcus aureus isoleucyl-tRNA synthetase
50008587	1	ChEBML_88823	Compound tested for the inhibition of human isoleucyl-tRNA synthetase
50008587	9	ChEMBL_98551 (CHEMBL708598)	Compound tested for the inhibition of human Leucyl-tRNA synthetase
50008587	7	ChEMBL_98544 (CHEMBL708592)	Compound tested for the inhibition of Escherichia coli Leucyl-tRNA synthetase
50008587	2	ChEMBL_98546 (CHEMBL853638)	Compound tested for the inhibition of Staphylococcus aureus Leucyl-tRNA synthetase
50008587	3	ChEMBL_88804 (CHEMBL696841)	Inhibition of Escherichia coli isoleucyl-tRNA synthetase
50008587	6	ChEMBL_98545 (CHEMBL708593)	Compound tested for the inhibition of Staphylococcus aureus Leucyl-tRNA synthetase
50008593	7	ChEMBL_216469 (CHEMBL818539)	Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)
50008593	5	ChEBML_158076	Inhibitory activity against porcine pancreatic elastase (PPE)
50008593	1	ChEMBL_158244 (CHEMBL762426)	Inhibitory activity against porcine pancreatic trypsin (TRP)
50008593	8	ChEMBL_45350 (CHEMBL661887)	Inhibitory activity against human leukocyte cathepsin G (h-CG)
50008593	3	ChEBML_45350	Inhibitory activity against human leukocyte cathepsin G (h-CG)
50008598	4	ChEBML_161074	Inhibitory activity against Varicella Zoster Virus (VZV) herpes protease was determined using quenched fluorescence assay
50008599	1	ChEBML_158774	Inhibitory activity against varicella zoster virus (VZV) protease
50008604	1	ChEBML_143829	Functional Neuropeptide Y receptor type 1 antagonism was evaluated by its ability to reverse NPY induced inhibition of forskolin-stimulated cyclic AMP production in SK-N-MC cells
50008604	3	ChEMBL_143822 (CHEMBL748546)	Ability to displace [125I]pPYY from AV12 cell line stably transfected with cloned human neuropeptide Y receptor type 1.
50008606	7	ChEMBL_200683 (CHEMBL807095)	In vitro binding affinity was evaluated against human Somatostatin receptor type 2 in experiment 2
50008606	5	ChEBML_200682	In vitro binding affinity was evaluated against human Somatostatin receptor type 2 in experiment 1
50008606	10	ChEMBL_200681 (CHEMBL807093)	In vitro binding affinity was evaluated against human Somatostatin receptor type 2 (hSSTR-2)
50008613	1	ChEBML_80267	Inhibitory activity against reverse transcriptase of HIV-1
50008621	2	ChEBML_58456	Ability to displace [3H]spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells
50008621	1	ChEBML_58773	Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells
50008621	3	ChEBML_58929	Ability to displace [3H]spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells
50008629	3	ChEBML_69815	In vitro inhibition of rat brain cytosol farnesyl transferase
50008648	8	ChEMBL_72994 (CHEMBL680807)	Binding affinity towards glucagon receptor determined by reduction in binding of [125I]glucagon to the murine glucagon receptor (GGR) expressed on CHO cells in absence of Mg+2
50008648	2	ChEBML_73000	Binding affinity towards glucagon receptor determined by reduction in binding of 125 I-glucagon to the murine glucagon receptor (mGLUR) expressed on CHO cells in presence of Mg+2 at 1 uM
50008648	5	ChEMBL_72999 (CHEMBL680103)	Binding affinity towards glucagon receptor determined by reduction in binding of 125 I-glucagon to the murine glucagon receptor (mGLUR) expressed on CHO cells in presence of Mg+2
50008648	10	ChEMBL_72869 (CHEMBL684120)	Binding affinity towards glucagon receptor determined by reduction in binding of [125I]glucagon to the human glucagon receptor (GGR) expressed on CHO cells in presence of Mg+2
50008648	3	ChEBML_72869	Binding affinity towards glucagon receptor determined by reduction in binding of [125I]glucagon to the human glucagon receptor (GGR) expressed on CHO cells in presence of Mg+2
50008648	9	ChEMBL_72868 (CHEMBL684119)	Binding affinity determined by reduction in binding of 125 I-glucagon to the human glucagon receptor expressed on CHO cells in absence of Mg+2
50008648	6	ChEBML_72869	Binding affinity towards glucagon receptor determined by reduction in binding of [125I]glucagon to the human glucagon receptor (GGR) expressed on CHO cells in presence of Mg+2
50000564	4	ChEBML_201279	Compound was tested for the inhibitory activity against Sigma opioid receptor by using [3H](+)-3-PPP as radioligand in guinea pig brain
50000564	2	ChEMBL_201279 (CHEMBL805613)	Compound was tested for the inhibitory activity against Sigma opioid receptor by using [3H](+)-3-PPP as radioligand in guinea pig brain
50000564	3	ChEBML_154081	Compound was tested for the inhibitory concentration against phencyclidine by using [3H]TCP as radioligand at PCP receptor in guinea pig brain
50000564	1	ChEBML_62575	Compound was tested for the inhibitory concentration against dopamine receptor D2 by using [3H]()-sulpiride) as radioligand in guinea pig brain
50000564	5	ChEMBL_201727 (CHEMBL872599)	Inhibition of [3H]-(+)-3-PPP binding to sigma of guinea pig brain
50000565	1	ChEBML_146592	Displacement of [3H]DSLET from rat brain membrane opioid receptor delta
50000565	2	ChEBML_146544	Displacement of [3H]DAGO from rat brain membrane opioid receptor mu
50008648	1	ChEMBL_72993 (CHEMBL680806)	Binding affinity towards glucagon receptor determined by reduction in binding of 125 I-glucagon to the murine glucagon receptor (mGLUR) expressed on CHO cells in absence of Mg
50035037	1	ChEBML_149040	Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor
50035037	3	ChEBML_214383	Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor
50035037	2	ChEBML_215014	Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor
50008663	1	ChEBML_208353	In vitro inhibition of human thrombin.
50008663	3	ChEMBL_208353 (CHEMBL813663)	In vitro inhibition of human thrombin.
50008664	2	ChEBML_225941	Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB
50008664	6	ChEBML_225945	Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB
50008664	9	ChEMBL_225945 (CHEMBL843953)	Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB
50000570	3	ChEBML_201731	The compound was tested for its binding affinity towards sigma receptor in guinea pig brain membranes.
50000570	2	ChEBML_58178	Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1
50000570	1	ChEMBL_201731 (CHEMBL803928)	The compound was tested for its binding affinity towards sigma receptor in guinea pig brain membranes.
50000570	9	ChEMBL_58178 (CHEMBL669833)	Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1
50000570	5	ChEMBL_201281 (CHEMBL805615)	The compound was tested for its binding affinity towards Sigma opioid receptor in guinea pig brain membranes
50000570	6	ChEMBL_58714 (CHEMBL671107)	Compound was tested for its binding affinity towards dopamine receptor D2 by using [3H]domperidone as radioligand
50000570	8	ChEBML_58713	Compound was tested for its binding affinity towards Dopamine receptor D2 by using [3H]domperidone as radioligand
50000570	4	ChEMBL_201730 (CHEMBL803927)	The compound was tested for its binding affinity towards sigma receptor in guinea pig brain membranes
50000570	7	ChEBML_154220	Compound was tested for its affinity towards PCP receptor in rat brain membrane [3H]MK-801 as radioligand
50008664	10	ChEMBL_225939 (CHEMBL846504)	Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha
50008664	1	ChEBML_225941	Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB
50008664	11	ChEMBL_225941 (CHEMBL846506)	Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB
50008664	4	ChEBML_225937	Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB
50008664	7	ChEMBL_225943 (CHEMBL843951)	Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta
50008664	8	ChEMBL_225937 (CHEMBL874059)	Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB
50008665	2	ChEBML_38302	Binding affinity towards Beta-2 adrenergic receptor in CHO cells expressing the cloned human receptor using 125I]iodocyanopindolol
50000572	6	ChEBML_148698	Opioid activity in terms of inhibition of [3H]dihydromorphine binding to Opioid receptor mu 1 in rat brain membrane.
50000572	5	ChEMBL_146423 (CHEMBL757175)	Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.
50000572	1	ChEMBL_61750 (CHEMBL676057)	Neuroleptic activity in terms of [3H]spiroperidol binding to dopamine receptor D2 in rat striatal membrane.
50000572	7	ChEMBL_61747 (CHEMBL676054)	Neuroleptic activity in terms of [3H]spiroperidol binding in rat striatal membrane to Dopamine receptor D2
50000572	3	ChEMBL_61748 (CHEMBL676055)	Neuroleptic activity in terms of [3H]spiroperidol binding in rat striatal membrane to Dopamine receptor D2
50000572	4	ChEMBL_146424 (CHEMBL757176)	Opioid receptor activity in terms of inhibition of [3H]dihydromorphine binding in rat brain membrane
50000572	2	ChEBML_61747	Neuroleptic activity in terms of [3H]spiroperidol binding in rat striatal membrane to Dopamine receptor D2
50008666	3	ChEBML_38303	Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]iodocyanopindolol
50008668	7	ChEBML_51129	Antagonistic activity against [125I]-Tyr-ovine CRF binding to Corticotropin releasing factor receptor 1
50008668	4	ChEBML_51277	Antagonistic activity against [125I]-Tyr-ovine CRF binding to Corticotropin releasing factor receptor 2 beta (30% inhibition at 100 uM)
50008668	2	ChEMBL_51277 (CHEMBL664979)	Antagonistic activity against [125I]-Tyr-ovine CRF binding to Corticotropin releasing factor receptor 2 beta (30% inhibition at 100 uM)
50008668	11	ChEBML_3689	Binding affinity against 5-hydroxytryptamine 7 receptor
50008668	10	ChEBML_3616	Binding affinity against 5-hydroxytryptamine 6 receptor
50008668	12	ChEBML_58459	Binding affinity against dopamine D2 receptor
50008670	4	ChEMBL_215886 (CHEMBL820818)	Inhibition constant against beta-galactosidase enzyme of jack bean was reported
50008670	2	ChEBML_215882	Concentration required to inhibit beta-galactosidase enzyme by 50% from Escherichia coli was reported
50008675	2	ChEMBL_48024 (CHEMBL661598)	Evaluated in vitro for inhibitory activity against purified human C1r protease incubated in buffer for 60 minutes
50008675	4	ChEBML_48023	In vitro inhibition of purified human C1r protease.
50008675	1	ChEMBL_48026 (CHEMBL661599)	In vitro inhibitory activity against purified human C1r protease protease
50035039	3	ChEBML_217729	Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand
50035039	2	ChEBML_221911	Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand
50035039	5	ChEBML_220925	Binding affinity towards human kappa opioid receptor in CHO cells using [3H]- U-69,593 as radioligand
50035039	8	ChEMBL_221913 (CHEMBL841684)	Binding affinity towards human mu opioid receptor in CHO cells using [3H]- DAMGO as radioligand
50035039	10	ChEMBL_221912 (CHEMBL843115)	Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay
50035039	4	ChEMBL_217731 (CHEMBL823795)	Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay
50035039	7	ChEBML_221912	Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay
50035039	1	ChEBML_220922	Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand
50035039	6	ChEMBL_217732 (CHEMBL823796)	Binding affinity towards human delta opioid receptor in CHO cells using [3H]- CI-DPDPE as radioligand
50035040	6	ChEMBL_61616 (CHEMBL672913)	Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.
50000578	2	ChEBML_86450	Concentration required to cause 50% inhibition of platelet activating factor (PAF)-induced platelet aggregation of human platelet rich plasma when challenged with 25 nM PAF.
50000578	1	ChEBML_84706	Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand
50035040	5	ChEBML_61812	Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement.
50035040	2	ChEMBL_61812 (CHEMBL672576)	Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement.
50000581	3	ChEBML_39179	Agonistic activity (beta-1 adrenergic receptor) for the percent maximal increase in contraction rate of isolated guinea pig atria
50000581	4	ChEBML_37546	Compound was evaluated for the inhibition of binding of [3H]dihydroalprenolol from beta-1 adrenergic receptor of rat cerebral cortical membranes
50000581	2	ChEBML_41681	Agonistic activity (beta2- adrenergic) for the percent maximal relaxation of isolated guinea pig trachea
50035041	3	ChEMBL_61361 (CHEMBL673417)	Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen
50035041	4	ChEMBL_201337 (CHEMBL806861)	Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen
50035041	1	ChEBML_61361	Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen
50008737	13	ChEMBL_66046 (CHEMBL679015)	In vitro antagonistic activity against human estrogen receptor (hER); not active
50008737	3	ChEMBL_36116 (CHEMBL648081)	In vitro antagonistic activity against human androgen receptor using cotransfection assay in CV-1 cells; Not active.
50008737	11	ChEMBL_35936 (CHEMBL646844)	In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.
50008737	9	ChEMBL_35937 (CHEMBL646845)	In vitro antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells
50008737	15	ChEMBL_66045 (CHEMBL679014)	In vitro antagonistic activity against human estrogen receptor (hER); Not active
50008737	16	ChEMBL_36117 (CHEMBL648082)	In vitro binding affinity at human androgen receptor transfected into COS cells.
50008737	14	ChEMBL_66044 (CHEMBL679013)	In vitro antagonistic activity against human estrogen receptor (hER)
50008737	1	ChEBML_35936	In vitro agonistic activity against human androgen receptor using cotransfection assay in CV-1 cells.
50008738	3	ChEBML_35826	Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines
50008738	2	ChEMBL_36103 (CHEMBL648068)	Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines
50008738	4	ChEMBL_36273 (CHEMBL648840)	Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay
50008738	6	ChEMBL_35826 (CHEMBL648597)	Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines
50008738	5	ChEMBL_36104 (CHEMBL648069)	Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cells; no data
50008725	3	ChEMBL_208364 (CHEMBL813674)	In vitro inhibitory activity against human thrombin.( Fast moving component on HPLC)
50008726	2	ChEBML_51668	In vitro inhibitory concentration against ovine COX-1
50008727	2	ChEBML_210662	Inhibitory activity against trypsin
50008727	3	ChEBML_48300	Inhibition of Coagulation factor II
50035042	1	ChEBML_29593	Adenosine receptor agonistic activity against isoproterenol (1 uM) stimulated cAMP accumulation in DDT MF-2 cells
50008734	10	ChEBML_51669	Inhibitory activity against Cyclooxygenase using sheep seminal vesicle (SSV) enzyme (COX-1)
50000586	1	ChEBML_83771	Inhibition of [3H]mepyramine binding to the Histamine H1 receptor in guinea pig cortex
50000586	2	ChEMBL_83772 (CHEMBL693830)	Inhibition of [3H]mepyramine binding to the histamine receptor in guinea pig cortex
50000589	1	ChEBML_58968	Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1
50000589	6	ChEBML_33439	The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB-4101 as radioligand
50000589	12	ChEMBL_2226 (CHEMBL617171)	The compound was tested for binding affinity against 5-hydroxytryptamine 2 receptor using ketanserin as radioligand
50000589	9	ChEMBL_61134 (CHEMBL670963)	The compound was tested for binding affinity against Dopamine receptor D2 using raclopride as radioligand
50000589	3	ChEMBL_201411 (CHEMBL810644)	The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand
50000589	10	ChEMBL_140141 (CHEMBL749190)	The compound was tested for binding affinity against Muscarinic acetylcholine receptor using QNB as radioligand
50000589	14	ChEMBL_61135 (CHEMBL670964)	The compound was tested for binding affinity against dopamine receptor D2 using raclopride as radioligand
50000589	11	ChEMBL_140142 (CHEMBL749191)	The compound was tested for binding affinity against muscarinic acetylcholine receptor using QNB as radioligand
50000589	5	ChEBML_201411	The compound was tested for binding affinity against Sigma opioid receptor using DTG as radioligand
50000589	15	ChEMBL_33439 (CHEMBL649604)	The compound was tested for binding affinity against Alpha-1 adrenergic receptor using WB-4101 as radioligand
50008734	1	ChEMBL_4159 (CHEMBL619226)	Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)
50000589	2	ChEBML_61134	The compound was tested for binding affinity against Dopamine receptor D2 using raclopride as radioligand
50008734	3	ChEMBL_4160 (CHEMBL619227)	Inhibitory activity against 5-lipoxygenase (5-LO) using broken rat barophilic leukemia cells (RBL-1)
50000593	5	ChEMBL_58695 (CHEMBL672661)	Binding affinity to dopamine receptor D2 in the rat brain using [3H]NPA as radioligand
50008734	5	ChEBML_4160	Inhibitory activity against 5-lipoxygenase (5-LO) using broken rat barophilic leukemia cells (RBL-1)
50000593	8	ChEMBL_837 (CHEMBL615837)	Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.
50008734	13	ChEMBL_51502 (CHEMBL665837)	Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)
50000593	3	ChEMBL_58694 (CHEMBL672660)	Compound was evaluated In vitro for its activity by binding to Dopamine receptor D2 in the rat brain using [3H]NPA as radioligand.
50008734	9	ChEMBL_3969 (CHEMBL618067)	Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)
50008735	2	ChEBML_41206	Inhibitory activity against TEM-1 (class A) beta-lactamase
50008735	1	ChEBML_41204	Inhibitory activity against AmpC (class C) beta-lactamase
50000596	3	ChEBML_58533	Ability to inhibit binding of [3H]-SPI to dopamine receptor D2 in rat striatal membranes
50000596	4	ChEBML_58165	Ability to inhibit binding of [3H]-SCH- 23390 to Dopamine receptor D1 in rat striatal membranes
50008736	2	ChEBML_41207	Inhibitory activity against TEM-1 (class A) beta-lactamase
50008736	1	ChEBML_41205	Inhibitory activity against AmpC (class C) beta-lactamase
50008746	1	ChEBML_70118	In vitro inhibitory activity was evaluated against farnesyltransferase (FTase)
50008751	4	ChEBML_155394	Binding affinity was evaluated against human plasmin
50008756	1	ChEBML_51673	Inhibition of human cyclooxygenase-1 (hCOX-1) enzyme.
50008757	1	ChEBML_158592	Inhibition of human Prostaglandin G/H synthase 1
50008761	2	ChEBML_212726	Binding affinity against trypsin in an enzyme inhibition assay.
50008761	1	ChEBML_48665	Binding affinity against Coagulation factor X in an enzyme inhibition assay.
50008765	2	ChEBML_162406	In vitro activity evaluated against protein kinase C (using histone II-As as a substrate)
50008770	3	ChEMBL_37243 (CHEMBL651564)	Agonistic activity against the cloned human Beta-1 adrenergic receptor was measured by its by its ability to stimulate adenylyl cyclase
50008770	7	ChEMBL_38168 (CHEMBL650239)	Agonistic activity against the cloned human Beta-2 adrenergic receptor was measured by its by its ability to stimulate adenylyl cyclase
50008770	8	ChEMBL_38320 (CHEMBL876752)	Inhibitory activity against cloned human Beta-2 adrenergic receptor in the presence of [125I]iodocyanopindolol in CHO cells by receptor binding assay
50008770	4	ChEBML_38168	Agonistic activity against the cloned human Beta-2 adrenergic receptor was measured by its by its ability to stimulate adenylyl cyclase
50008770	6	ChEBML_37389	Inhibitory activity against cloned human Beta-1 adrenergic receptor in the presence of [125I]iodocyanopindolol in CHO cells by receptor binding assay
50008771	2	ChEMBL_216945 (CHEMBL822914)	Inhibitory potency for brewer's yeast alpha-glucosidase in 0.01 mM EDTA, 0.01 mM PIPES and 0.2 M NaOAc at pH 6.5.
50008771	3	ChEMBL_216946 (CHEMBL822915)	Inhibitory potency for brewer's yeast alpha-glucosidase in 0.1 M sodium phosphate buffer at pH 6.55.
50035045	1	ChEBML_217734	Compound was tested for inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing human delta opioid receptor
50035045	5	ChEMBL_145334 (CHEMBL750422)	Binding inhibition of [3H]- -naltrindole (0.15 nM) to membranes in CHO cells expressing Opioid receptor delta 1
50035045	2	ChEBML_145807	Binding affinity towards Opioid receptor kappa 1 using [3H]- U-69,593 (1.5 nM) as radioligand in guinea pig brain membranes
50035045	4	ChEMBL_217734 (CHEMBL823798)	Compound was tested for inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing human delta opioid receptor
50035045	6	ChEMBL_221937 (CHEMBL842476)	Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes
50035045	3	ChEBML_221937	Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes
50008783	1	ChEBML_217735	Compound was tested for inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing human delta opioid receptor
50008783	2	ChEBML_145808	Binding affinity towards Opioid receptor kappa 1 using [3H]- U-69,593 (1.5 nM) as radioligand in guinea pig brain membranes
50008783	3	ChEBML_221915	Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes
50008783	4	ChEMBL_217735 (CHEMBL823799)	Compound was tested for inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing human delta opioid receptor
50035046	2	ChEMBL_36272 (CHEMBL648839)	Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay
50035046	5	ChEMBL_36105 (CHEMBL648070)	Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay
50035046	1	ChEMBL_35931 (CHEMBL883248)	Agonist activity to the human androgen receptor (hAR) in CV-1 cells
50035046	3	ChEBML_36272	Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay
50000603	7	ChEBML_2203	Binding affinity against rat 5-hydroxytryptamine 2 receptor in rat cerebral cortex tissue using [3H]spiperone as radioligand
50000603	2	ChEBML_58551	Binding affinity against Dopamine receptor D2 receptor of rat corpus striatal tissue with [3H]spiperone
50000603	5	ChEBML_825	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]5-HT
50000603	6	ChEMBL_58551 (CHEMBL667486)	Binding affinity against Dopamine receptor D2 receptor of rat corpus striatal tissue with [3H]spiperone
50035046	4	ChEMBL_36106 (CHEMBL648071)	Antagonistic activity against human androgen receptor (hAR) in CV-1 cells was determined as a function of maximal inhibition of dihydrotestosterone using cotransfection assay
50000603	8	ChEMBL_821 (CHEMBL615821)	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]8-OH-DPAT
50000603	1	ChEMBL_825 (CHEMBL615825)	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]5-HT
50000603	3	ChEMBL_822 (CHEMBL615822)	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue with [3H]5-HT
50009474	2	ChEMBL_199529 (CHEMBL803140)	The compound was evaluated for its binding affinity against wild type scytalone dehydratase (SD)
50009474	5	ChEMBL_199524 (CHEMBL802498)	The compound was evaluated for its binding affinity against mutant H110N scytalone dehydratase
50009474	1	ChEMBL_199528 (CHEMBL803139)	The compound was evaluated for its binding affinity against mutant Y50F scytalone dehydratase
50009476	2	ChEBML_31409	Inhibition of [35S]GTP-gamma-S, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK293 cells expressing human Adenosine A3 receptor
50009476	4	ChEMBL_31990 (CHEMBL646438)	In vitro binding affinity against human Adenosine A3 receptor
50009476	1	ChEMBL_31410 (CHEMBL644553)	Inhibition of [35S]GTP-gamma-S, binding stimulated by 5 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK293 cells expressing human Adenosine A3 receptor
50041030	5	ChEMBL_32528 (CHEMBL641409)	Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.
50009488	1	ChEBML_195059	Inhibition of recombinant HIV-1 reverse transcriptase
50035048	9	ChEMBL_50489 (CHEMBL885065)	Inhibitory activity against Cyclin-dependent kinase 1-cyclin B
50035048	6	ChEMBL_51176 (CHEMBL666304)	Inhibitory activity against cyclin-dependent kinase 4-cyclin D1
50035048	8	ChEMBL_161886 (CHEMBL771964)	Inhibition of protein kinase A
50035048	10	ChEMBL_50505 (CHEMBL661122)	Inhibition of Cyclin-dependent kinase 1-cyclin B1
50035048	7	ChEMBL_162403 (CHEMBL769350)	Inhibition of protein kinase C (PKC)
50041031	2	ChEMBL_143710 (CHEMBL857696)	Evaluated for binding affinity towards nicotinic acetylcholine receptor alpha4-beta2
50009860	2	ChEMBL_213208 (CHEMBL818021)	The compound was tested for its ability to inhibit trypsin.
50009860	4	ChEMBL_209065 (CHEMBL815657)	The compound was tested for its ability to inhibit thrombin.
50041032	1	ChEMBL_3771 (CHEMBL619052)	Binding affinity towards 5-hydroxytryptamine 7 receptor
50009868	3	ChEMBL_148989 (CHEMBL754205)	Binding affinity by inhibition of [3H]DAMGO binding to Opioid receptor mu 1 from rat brain membranes
50009868	4	ChEMBL_147034 (CHEMBL753675)	Inhibition of [3H]DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes
50009904	1	ChEBML_214670	Inhibitory concentration against VLA-4 receptor using human VCAM-VLA-4 binding assay
50009905	2	ChEMBL_214665 (CHEMBL820783)	Compound was evaluated for VCAM-VLA-4 antagonistic activity using Ramos cell assay
50009905	3	ChEMBL_214667 (CHEMBL820785)	Compound was evaluated for VCAM-VLA-4 antagonistic activity using solid phase assay
50009905	1	ChEBML_214667	Compound was evaluated for VCAM-VLA-4 antagonistic activity using solid phase assay
50009906	3	ChEMBL_214669 (CHEMBL820787)	Inhibition of VLA-4 binding to recombinant human VCAM using Solid phase assay
50009906	2	ChEMBL_214668 (CHEMBL820786)	Inhibition of VLA-4 binding to recombinant human VCAM using Ramos cell assay
50009906	1	ChEBML_214668	Inhibition of VLA-4 binding to recombinant human VCAM using Ramos cell assay
50009907	1	ChEMBL_143987 (CHEMBL750825)	Compound was tested for human Neuropeptide Y receptor type 5
50035052	2	ChEBML_148697	Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane
50035052	1	ChEMBL_149004 (CHEMBL757988)	Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane
50035052	3	ChEMBL_148697 (CHEMBL751070)	Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane
50009922	7	ChEMBL_219039 (CHEMBL821295)	Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulation in CHO cells expressing hmGluR7b
50009922	2	ChEBML_219039	Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulation in CHO cells expressing hmGluR7b
50035053	2	ChEBML_48249	Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane
50035053	1	ChEBML_50044	Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor
50009925	8	ChEBML_159407	Inhibition of Prostaglandin G/H synthase 1, COX-1
50000607	3	ChEMBL_141637 (CHEMBL881816)	Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle
50000607	2	ChEBML_141637	Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle
50000607	4	ChEBML_209224	Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae
50000607	5	ChEMBL_141646 (CHEMBL749547)	Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae
50000607	1	ChEMBL_141646 (CHEMBL749547)	Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae
50000607	6	ChEMBL_209224 (CHEMBL814852)	Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae
50000608	1	ChEBML_27567	Antagonist activity against adenosine A1 receptor in human platelets
50000608	2	ChEMBL_30561 (CHEMBL649873)	Antagonistic activity against adenosine A2 receptor in rat adipocytes
50009930	2	ChEBML_146531	Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacement of [3H]U-69593 radioligand
50009980	2	ChEBML_28943	Inhibitory activity against acyl-CoA:cholesterol acyltransferase (ACAT)
50009988	1	ChEMBL_195098 (CHEMBL800845)	Displacement of the probe bound to Ribonuclease L by compound in radiobinding assay was evaluated
50009992	4	ChEMBL_141414 (CHEMBL751708)	Compound was tested for inhibition of [3H]MK-801 binding to N-methyl-D-aspartate glutamate receptor at NR2B subunit in high affinity fraction of porcine brain membranes
50000608	3	ChEMBL_27567 (CHEMBL637241)	Antagonist activity against adenosine A1 receptor in human platelets
50009992	2	ChEMBL_141415 (CHEMBL751709)	Compound was tested for inhibition of [3H]MK-801 binding to N-methyl-D-aspartate glutamate receptor lacking NR2B subunit in low affinity fraction of porcine brain membranes
50009992	3	ChEMBL_141416 (CHEMBL752320)	Displacement of [3H]ifendropil from binding site of N-methyl-D-aspartate glutamate receptor was evaluated employing synaptosomal fraction of porcine hippocampal brain membranes
50009995	2	ChEBML_39213	Beta-Lactamase inhibition activity after 15 min of pre-incubation with the enzyme isolated from Escherichia coli 205 TEM
50009995	1	ChEBML_39212	Beta-Lactamase inhibition activity after 15 min of pre-incubation with the enzyme isolated from Enterobacter cloacae
50009961	3	ChEBML_38304	Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]iodocyanopindolol
50009962	3	ChEBML_38306	Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]iodocyanopindolol
50009963	1	ChEBML_28133	Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot
50035056	2	ChEBML_62319	Binding affinity to a single, sodium-dependent site on the Dopamine transporter in rat striatal membranes
50035056	6	ChEMBL_143117 (CHEMBL747999)	Compound was tested for its ability to inhibit high-affinity uptake of [3H]NE into parietal and occipital cortex in rat
50035056	5	ChEMBL_62653 (CHEMBL679188)	ability to displace [3H]- Mazindol binding to cocaine binding sites on Dopamine transporter of rat striatal membranes
50009966	5	ChEMBL_106556 (CHEMBL716499)	Inhibitory concentration on Human mGlu4 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay
50009966	4	ChEMBL_218835 (CHEMBL823946)	Inhibition of forskolin-stimulated cAMP accumulation in CHO cells expressing hmGlu4a
50009966	8	ChEMBL_106549 (CHEMBL715494)	Agonistic activity on Human mGlu4a receptor expressed in recombinant mammalian cells by GTPgammaS binding assay; Partial agonist
50009966	10	ChEMBL_105894 (CHEMBL717755)	Agonistic activity on Human Metabotropic glutamate receptor 2 expressed in recombinant mammalian cells by GTPgammaS binding assay
50009966	7	ChEMBL_106548 (CHEMBL715493)	Agonistic activity on Human mGlu4a receptor expressed in recombinant mammalian cells by GTPgammaS binding assay
50035057	1	ChEBML_72352	In vitro binding assay of Shc-derived phosphopeptide to Growth factor receptor bound protein 2 SH2 in B104-1-1 cells was determined
50035057	2	ChEMBL_72352 (CHEMBL686439)	In vitro binding assay of Shc-derived phosphopeptide to Growth factor receptor bound protein 2 SH2 in B104-1-1 cells was determined
50000614	6	ChEMBL_49721 (CHEMBL661964)	Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes
50009969	1	ChEBML_49240	Inhibitory of Candida albicans chitin synthase 1
50009971	2	ChEBML_205390	In vitro inhibition of [3H]Sar9-substance P binding to Tachykinin receptor 1 in bovine retinal membranes
50000614	4	ChEBML_48091	Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes
50009971	1	ChEBML_209022	In vitro inhibition of [125I]NKA binding to transfected Chinese hamster ovary cells (CHO cells) expressing recombinant human Tachykinin receptor 2
50000614	3	ChEBML_49721	Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes
50009977	3	ChEMBL_141742 (CHEMBL749254)	Inhibitory concentration against NADH oxidase
50000614	7	ChEMBL_48091 (CHEMBL662288)	Apparent affinity to inhibit binding of [3H]pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes
50000623	1	ChEBML_71439	In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes
50000624	3	ChEMBL_141792 (CHEMBL748092)	Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
50000624	2	ChEBML_141792	Effective dose was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methyl ester.
50000624	5	ChEBML_146541	Binding affinity to opioid receptor mu was determined in rat brain using [3H]DAGO as radioligand
50000624	4	ChEBML_141661	Effective dose was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine
50000624	1	ChEBML_146590	Binding affinity to opioid receptor delta was determined in rat brain using [3H]DSTBULET as radioligand
50000625	1	ChEBML_49571	Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]BH-CCK-8 as radioligand
50000625	2	ChEMBL_47818 (CHEMBL662560)	Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]BH-CCK-8 as radioligand
50000625	4	ChEBML_47815	Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]BH-CCK-8 as radioligand
50000625	3	ChEMBL_49573 (CHEMBL661827)	Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]BH-CCK-8 as radioligand
50000625	5	ChEMBL_47815 (CHEMBL660029)	Binding affinity for Cholecystokinin type B receptor in guinea pig cortex by using [125I]BH-CCK-8 as radioligand
50010027	23	ChEMBL_157958 (CHEMBL766820)	Displacement of [3H]PGF-2 from human FP-receptor expressed in CHO-KI cells
50000625	6	ChEMBL_49571 (CHEMBL661825)	Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]BH-CCK-8 as radioligand
50010027	22	ChEMBL_157959 (CHEMBL766821)	Displacement of [3H]PGF2-alpha from human FP-receptor expressed in CHO-KI cells
50000626	1	ChEBML_196945	Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells.
50000626	2	ChEMBL_196945 (CHEMBL801137)	Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells.
50010027	30	ChEMBL_157956 (CHEMBL766818)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=87%)
50010027	21	ChEMBL_157809 (CHEMBL768757)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3 (% of control ligand, sulprostone<50%)
50010027	20	ChEMBL_157953 (CHEMBL767042)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=150%)
50010027	8	ChEMBL_210127 (CHEMBL814443)	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=50%)
50010027	7	ChEBML_210261	Displacement of [3H]-U-46,619 from human TP-receptor expressed in CHO-KI cells
50010027	26	ChEMBL_157957 (CHEMBL766819)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=90%)
50010027	29	ChEMBL_157803 (CHEMBL766782)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2=100%)
50010030	2	ChEBML_38318	In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125I]iodocyanopindolol.
50035060	1	ChEBML_208894	Compound was evaluated for its inhibitory activity against Thrombin
50035060	7	ChEMBL_208894 (CHEMBL814951)	Compound was evaluated for its inhibitory activity against Thrombin
50035061	2	ChEMBL_34103 (CHEMBL649732)	Inhibitory constant against Alpha-amylase
50035061	1	ChEBML_34101	The compound was tested for inhibition of malt Alpha-amylase by Megazyme assay
50010042	4	ChEMBL_143688 (CHEMBL756255)	Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor type 1 in SK-N-MC cells
50010042	1	ChEBML_78193	NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine NPY (10 nM) stimulated increase in the intracellular [Ca2+] concentration in a FURA-assay.
50010042	5	ChEMBL_78193 (CHEMBL692301)	NPY Y1-antagonistic activity in HEL cells by measuring the inhibition of porcine NPY (10 nM) stimulated increase in the intracellular [Ca2+] concentration in a FURA-assay.
50010046	3	ChEBML_33730	Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor.
50010046	1	ChEBML_34344	Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor.
50010046	2	ChEBML_32444	Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor.
50000633	2	ChEBML_138791	Ability to displace [3H]pirenzepine (pir) from muscarinic acetylcholine receptor M1 in rat cortical tissue.
50010047	8	ChEMBL_33510 (CHEMBL647007)	In vivo inhibitory effect against alpha-2b Adrenergic receptor
50000633	1	ChEMBL_138694 (CHEMBL747661)	Compound was tested for its ability to displace [3H]pirenzepine (pir) from M1 Muscarinic receptor in rat cortical tissue
50041033	2	ChEMBL_92286 (CHEMBL705832)	Inhibition of AP-1 (activator protein-1) mediated transcriptional activation in Jurkat T-cells
50010056	1	ChEBML_205418	The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 1 of male guinea pig lung membrane
50010056	2	ChEBML_209537	The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 3 of male guinea pig lung membrane
50010056	3	ChEBML_208834	The compound was evaluated in vitro for its ability to displace [3H]SP from Tachykinin receptor 2 of male guinea pig lung membrane
50035062	5	ChEMBL_62649 (CHEMBL679184)	Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes
50035062	2	ChEMBL_62648 (CHEMBL679183)	Inhibition of [3H]- Mazindol binding to dopamine transporter of rat striatal membrane.
50035062	1	ChEBML_62649	Inhibition of [3H]DA binding to dopamine transporter of rat brain synaptosomes
50035062	6	ChEMBL_143128 (CHEMBL744172)	Inhibition of [3H]NE binding to norepinephrine transporter of rat brain synaptosomes
50035062	3	ChEBML_143128	Inhibition of [3H]NE binding to norepinephrine transporter of rat brain synaptosomes
50035062	7	ChEMBL_202137 (CHEMBL808126)	Inhibition of [3H]-5-HT binding to serotonin transporter of rat brain synaptosomes
50010064	1	ChEBML_31732	Antagonistic activity evaluated in adenylyl cyclase assay
50010064	3	ChEBML_3623	Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells
50010065	4	ChEBML_71737	Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells
50010065	6	ChEMBL_100002 (CHEMBL710527)	Compound was evaluated for its antagonism in rat primary pituitary cell assay (rLH)
50010065	3	ChEMBL_71729 (CHEMBL680408)	Compound was evaluated for its inhibitory activity against rat pituitary Gonadotropin-releasing hormone receptor
50010069	2	ChEBML_158586	Biochemical index for Prostaglandin G/H synthase 1 measured as, thromboxane 2 (TXB2) levels following blood coagulation
50010133	1	ChEBML_201967	Affinity for Serotonin transporter by displacing [3H]paroxetine from rat forebrain
50010133	3	ChEBML_143114	Compound has been evaluated for its affinity towards Norepinephrine transporter by displacing the radio isotope [3H]nisoxetine from rat forebrain
50010133	2	ChEBML_62483	Displacement of [3H]GBR-12935 from rat forebrain Dopamine transporter
50010136	7	ChEMBL_41895 (CHEMBL655688)	Antagonist activity against C-C chemokine receptor type 2
50035065	15	ChEMBL_71990 (CHEMBL683542)	Compound was tested for agonistic activity at Glutamate receptor 5 using HEK293 cells
50035065	8	ChEBML_71990	Compound was tested for agonistic activity at Glutamate receptor 5 using HEK293 cells
50035065	16	ChEMBL_71992 (CHEMBL683696)	Compound was tested for agonistic activity at Glutamate receptor 6 using HEK293 cells
50035065	7	ChEBML_71992	Compound was tested for agonistic activity at Glutamate receptor 6 using HEK293 cells
50035065	13	ChEMBL_90455 (CHEMBL699990)	Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 2 using cell membranes prepared from HEK293 cells
50035065	5	ChEBML_71990	Compound was tested for agonistic activity at Glutamate receptor 5 using HEK293 cells
50035066	3	ChEMBL_211030 (CHEMBL811420)	Inhibitory activity of compound against tyrosyl tRNA synthetase from mammalian cells was determined
50035067	2	ChEBML_199997	In vitro inhibitory activity of compound was determined against Selectin L binding by ELISA assay
50035067	3	ChEBML_199852	In vitro inhibitory activity of compound was determined against Selectin E binding by ELISA assay
50035067	1	ChEBML_200026	In vitro inhibitory activity of compound was determined against Selectin P binding by ELISA assay
50010179	3	ChEBML_38312	Binding affinity against human Beta-2 adrenergic receptor expressed in CHO cells using [125I]iodocyanopindolol
50010180	2	ChEBML_65293	Inhibitory activity against endothelial nitric oxide synthase (eNOS)
50010180	1	ChEBML_89191	Inhibitory activity against inducible nitric oxide synthase (iNOS)
50010180	3	ChEBML_143353	Inhibitory activity against neuronal nitric oxide synthase
50010182	1	ChEMBL_2720 (CHEMBL617280)	Binding affinity using [3H]mesulergine as radioligand with receptor membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor
50010182	4	ChEMBL_2942 (CHEMBL617882)	Agonistic activity for 5-HT2c (5-HT2C) by measuring [3H]inositol monophosphate fromation in CHO cells in which the human 5-HT2C receptor subtype was stably expressed
50010182	3	ChEMBL_2718 (CHEMBL617278)	Binding affinity using [125I]DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor
50010182	2	ChEBML_2718	Binding affinity using [125I]DOI as radioligand with membranes isolated from a CHO-k cell line expressing the human 5-hydroxytryptamine 2C receptor
50035071	1	ChEBML_61617	In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2L stably expressed in CHO cells
50035071	6	ChEMBL_61815 (CHEMBL672579)	In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2 short form expressed in CHO cells
50035071	2	ChEBML_62278	In vitro displacement of [3H]spiperone from the cloned human dopamine receptor D3 stably expressed in CHO cells
50035071	3	ChEBML_60351	In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane
50035071	4	ChEBML_60691	In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D4 expressed in CHO cells
50035071	5	ChEMBL_61617 (CHEMBL673073)	In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2L stably expressed in CHO cells
50035071	7	ChEMBL_60351 (CHEMBL671940)	In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane
50035073	1	ChEMBL_195054 (CHEMBL798358)	Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assay
50035073	2	ChEBML_195054	Compound was evaluated for its inhibitory activity against recombinant HIV-1 Reverse transcriptase using cell free RT inhibition assay
50035073	3	ChEMBL_196044 (CHEMBL802221)	Binding affinity against HIV reverse transcriptase (Estimated Ki)
50035074	4	ChEMBL_161137 (CHEMBL767405)	Displacement of [3H]- PDBu from Protein kinase C eta C1a domain
50035074	9	ChEBML_161303	Displacement of [3H]- PDBu from Protein kinase C gamma C1b domain
50035074	14	ChEMBL_161298 (CHEMBL772106)	Displacement of [3H]- PDBu from Protein kinase C gamma C1a domain
50035074	11	ChEBML_160435	Binding affinity for Protein kinase C alpha C1a domain
50035074	22	ChEMBL_161299 (CHEMBL772107)	Binding affinity for Protein kinase C gamma C1b domain
50035074	26	ChEMBL_160435 (CHEMBL762306)	Binding affinity for Protein kinase C alpha C1a domain
50035074	3	ChEMBL_161113 (CHEMBL772745)	Displacement of [3H]- PDBu from Protein kinase C epsilon C1b domain
50035074	28	ChEMBL_161139 (CHEMBL767407)	Displacement of [3H]- PDBu from Protein kinase C eta C1b domain
50035074	21	ChEMBL_160793 (CHEMBL766604)	Binding affinity for Protein kinase C delta C1a domain
50035074	16	ChEMBL_160440 (CHEMBL762311)	Binding affinity for Protein kinase C alpha C1b domain
50035074	7	ChEMBL_160630 (CHEMBL768240)	Binding affinity for Protein kinase C beta C1b domain
50035074	29	ChEMBL_160798 (CHEMBL767269)	Displacement of [3H]- PDBu from Protein kinase C delta C1a domain
50035074	1	ChEMBL_161105 (CHEMBL771565)	Binding affinity for Protein kinase C epsilon C1a domain
50035074	30	ChEMBL_160629 (CHEMBL768285)	Displacement of [3H]- PDBu from Protein kinase C beta C1a domain
50035074	18	ChEMBL_161109 (CHEMBL772741)	Binding affinity for Protein kinase C epsilon C1b domain
50035074	15	ChEMBL_160942 (CHEMBL769105)	Displacement of [3H]- PDBu from Protein kinase C delta C1b domain
50035074	17	ChEMBL_160633 (CHEMBL768243)	Displacement of [3H]- PDBu from Protein kinase C beta C1b domain
50035074	8	ChEMBL_161138 (CHEMBL767406)	Binding affinity for Protein kinase C eta C1b domain
50035074	25	ChEMBL_160439 (CHEMBL762310)	Displacement of [3H]- PDBu from Protein kinase C alpha C1a domain
50035074	19	ChEMBL_160938 (CHEMBL769101)	Binding affinity for Protein kinase C delta C1b domain
50010205	2	ChEBML_38301	Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
50035075	2	ChEBML_29313	Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX 
50035075	1	ChEBML_31851	Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA
50035075	3	ChEBML_30009	Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385
50000647	4	ChEBML_225150	Affinity in displacing [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor.
50000647	3	ChEMBL_225150 (CHEMBL846888)	Affinity in displacing [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor.
50000649	1	ChEBML_41471	Ability to inhibit the binding of [125I]C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor
50000649	2	ChEBML_41471	Ability to inhibit the binding of [125I]C5a anaphylatoxin chemotactic receptor to polymorphonuclear leukocyte (PMNL) membrane receptor
50010231	3	ChEMBL_221327 (CHEMBL842019)	Inhibition of p56 Lck tyrosine kinase at 1 mM ATP
50010231	7	ChEMBL_221319 (CHEMBL841209)	Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP
50010231	4	ChEMBL_221323 (CHEMBL842015)	Inhibition of p56 Lck tyrosine kinase catalytic domain at 5 uM ATP
50010231	14	ChEMBL_152959 (CHEMBL760352)	Inhibition of PKC
50010231	16	ChEMBL_221331 (CHEMBL842023)	Inhibition of p56 Lck tyrosine kinase at 5 uM ATP
50010232	1	ChEMBL_221324 (CHEMBL842016)	Inhibition of p56 Lck tyrosine kinase (catalytic domain)
50010232	12	ChEMBL_221332 (CHEMBL842024)	Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 uM ATP.
50010232	3	ChEBML_221324	Inhibition of p56 Lck tyrosine kinase (catalytic domain)
50010240	4	ChEBML_139773	Binding affinity against Muscarinic acetylcholine receptor M2
50010240	5	ChEBML_139127	Binding affinity against Muscarinic acetylcholine receptor M4
50010240	3	ChEBML_138712	Binding affinity against Muscarinic acetylcholine receptor M3
50010240	1	ChEBML_139395	The compound was tested for the binding affinity against Muscarinic acetylcholine receptor M5
50010240	2	ChEBML_138418	Binding affinity against Muscarinic acetylcholine receptor M1
50010242	2	ChEBML_155416	Inhibitory activity of compound was evaluated against plasmin; not detectable
50035078	5	ChEMBL_67491 (CHEMBL679882)	Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha
50035078	4	ChEMBL_67353 (CHEMBL676808)	Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha
50035078	3	ChEBML_67352	Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha
50035078	6	ChEMBL_67488 (CHEMBL679325)	Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha
50035079	1	ChEBML_147985	Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein
50009553	3	ChEBML_145849	Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN
50009553	4	ChEBML_147330	Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II
50009553	5	ChEMBL_53593 (CHEMBL665481)	Effective concentration for agonistic activity towards delta opioid receptor was determined by [35S]GTP-gamma-S functional assay
50000658	1	ChEBML_54603	Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.
50000659	1	ChEBML_196867	Inhibitory effect against L929 Cell S-adenosyl-L-homocysteine hydrolase
50000660	2	ChEBML_209120	The compound was tested for its inhibitory activity (IC50) against thymidylate synthase(TS) derived from Lactobacillus casei
50000660	4	ChEMBL_54610 (CHEMBL669623)	The compound was tested for its inhibitory activity against dihydrofolate reductase(DHFR) derived from L1210 cells.
50000660	5	ChEMBL_209625 (CHEMBL816741)	The compound was tested for its inhibitory activity against thymidylate synthase(TS) derived from H35F/F cells.
50000660	1	ChEBML_209625	The compound was tested for its inhibitory activity against thymidylate synthase(TS) derived from H35F/F cells.
50000666	2	ChEBML_41602	Inhibitory activity against [125I]-rC5a binding to C5a anaphylatoxin chemotactic receptor in human polymorphonuclear leukocyte (PMNL) membranes
50000666	1	ChEBML_140816	In vivo potency as the maximal lysosomal myeloperoxidase (MPO) release in PMNL assay
50009553	2	ChEBML_149311	Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824
50009554	4	ChEMBL_34341 (CHEMBL649154)	Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor
50009554	3	ChEBML_32441	Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor
50035080	4	ChEMBL_217642 (CHEMBL818514)	Inhibition of Kistrin binding to integrin alphaV-beta3
50035080	3	ChEMBL_215981 (CHEMBL821010)	Inhibition of fibrinogen binding to integrin alphaIIb-beta3
50035081	3	ChEBML_146512	Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand
50035081	1	ChEBML_145278	Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand
50035081	2	ChEBML_147147	Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand
50000669	4	ChEMBL_123005 (CHEMBL729046)	Compound was tested for binding affinity towards microsomal aminopeptidase; Kis was reported
50000669	6	ChEBML_123004	Compound was tested for binding affinity towards microsomal aminopeptidase; Kii was reported
50000669	2	ChEBML_36049	Compound was tested for binding affinity towards arginyl aminopeptidase
50000669	1	ChEMBL_32822 (CHEMBL646473)	Compound was tested for binding affinity towards cytosolic aminopeptidase
50000669	5	ChEBML_32822	Compound was tested for binding affinity towards cytosolic aminopeptidase
50000669	3	ChEMBL_123004 (CHEMBL729045)	Compound was tested for binding affinity towards microsomal aminopeptidase; Kii was reported
50000670	1	ChEBML_31764	In vitro inhibitory activity against aldose reductase isolated from human placenta
50000675	5	ChEBML_196301	Concentration required for 50% inhibition of rat plasma renin
50000675	3	ChEMBL_192720 (CHEMBL801748)	Concentration required for 50% inhibition of rhesus monkey plasma renin
50000675	7	ChEMBL_195764 (CHEMBL803430)	Concentration required for 50% inhibition of human kidney renin
50000675	9	ChEMBL_195766 (CHEMBL803431)	Concentration required for 50% inhibition of human plasma renin
50000675	6	ChEMBL_192891 (CHEMBL795930)	Concentration required for 50% inhibition of dog plasma renin
50000675	1	ChEBML_154152	Inhibition of pepsin
50000675	4	ChEBML_45328	Concentration required for 50% inhibition of cathepsin D
50000675	2	ChEMBL_196429 (CHEMBL799833)	Concentration required for 50% inhibition of sheep plasma renin
50000678	4	ChEMBL_29410 (CHEMBL643383)	IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.
50000678	3	ChEMBL_29409 (CHEMBL643382)	IC50 against acetylcholinesterase; value ranges from 1-4900 nM.
50000678	7	ChEMBL_29376 (CHEMBL648290)	Inhibition of acetylcholinesterase.
50000678	5	ChEMBL_29377 (CHEMBL648291)	Inhibition of acetylcholinesterase.
50000678	2	ChEBML_27372	In vitro inhibitory activity against acetylcholinesterase
50000678	1	ChEMBL_29408 (CHEMBL643381)	In vitro inhibitory activity against acetylcholinesterase
50000679	1	ChEBML_29413	Inhibition of acetylcholinesterase activity
50000680	2	ChEBML_64516	The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme
50000680	4	ChEMBL_64516 (CHEMBL677321)	The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme
50000680	1	ChEMBL_34795 (CHEMBL644411)	In vitro inhibitory activity against Angiotensin I converting enzyme from rabbit lung
50000680	5	ChEBML_35064	In vitro inhibitory activity against angiotensin I converting enzyme (ACE) from rabbit lung
50000681	3	ChEBML_49718	Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreatic membranes.
50000681	1	ChEBML_47978	The compound was tested for the inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical; Not determined
50000681	2	ChEMBL_47978 (CHEMBL657481)	The compound was tested for the inhibition of [125I]-Bolton-Hunter CCK-8 binding to cholecystokinin type B receptor in guinea pig cerebral cortical; Not determined
50010293	2	ChEBML_138412	Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1
50010293	1	ChEBML_139763	Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2
50035083	6	ChEMBL_145494 (CHEMBL752136)	Compound was evaluated for functional opioid activity by stimulation of [35S]GTP-gamma-S, in cloned human Opioid receptor delta 1 transfected into CHO cells
50035083	1	ChEMBL_145495 (CHEMBL752137)	Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor delta 1 by displacement of [3H]Cl-DPDPE
50035083	9	ChEMBL_148234 (CHEMBL753394)	Compound was evaluated for its binding affinity against CHO cells transfected with cloned human Opioid receptor mu 1 by displacing [3H]DAMGO
50035083	3	ChEMBL_145263 (CHEMBL751201)	Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593
50035083	5	ChEBML_145262	Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S]GTP-gamma-S, assay
50035083	2	ChEBML_146655	Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593
50035083	7	ChEBML_148235	Compound was evaluated for its binding affinity by displacing DAMGO to human cloned mu opioid receptor transfected into CHO cells using [35S]GTP-gamma-S, assay
50035083	10	ChEBML_145289	Compound was evaluated for its binding affinity against Opioid receptor mu 1 of guinea pig brain membrane by displacing [3H]DAMGO
50035083	8	ChEBML_145494	Compound was evaluated for functional opioid activity by stimulation of [35S]GTP-gamma-S, in cloned human Opioid receptor delta 1 transfected into CHO cells
50010295	3	ChEBML_88809	Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from staphylococcus aureus WCUH29
50035084	8	ChEMBL_49780 (CHEMBL884340)	Compound was evaluated for its inhibitory activity against Chymotrypsinogen
50010298	2	ChEMBL_158965 (CHEMBL766323)	In vitro inhibitory activity against human cytomegalovirus (hCMV) protease in the absence of zinc
50010298	1	ChEBML_158966	In vitro inhibitory activity against human cytomegalovirus (hCMV) protease in the presence of zinc
50010298	3	ChEMBL_158966 (CHEMBL766324)	In vitro inhibitory activity against human cytomegalovirus (hCMV) protease in the presence of zinc
50010299	5	ChEMBL_38314 (CHEMBL647877)	Inhibitory activity against CHO cells expressing human Beta-2 adrenergic receptor with [125I]-iodocyanopindolol
50010299	13	ChEMBL_37249 (CHEMBL651570)	Compound was evaluated for its inhibitory activity against human beta-1 adrenergic receptor (AR) at a concentration of 10000 nm
50010299	6	ChEMBL_38263 (CHEMBL646906)	Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta-2 adrenergic receptor (AR) in the presence of [125I]-iodocyanopindolol
50010299	9	ChEMBL_38172 (CHEMBL650243)	Compound was evaluated for its inhibitory activity against human beta-2 adrenergic receptor (AR)
50010299	8	ChEMBL_38262 (CHEMBL646905)	Compound was evaluated for its inhibitory activity against human beta-2 adrenergic receptor (AR)
50010299	14	ChEMBL_37258 (CHEMBL650173)	Percent adenylyl cyclase activation at 10000 nM of compound concentration
50010299	15	ChEMBL_37248 (CHEMBL651569)	Compound was evaluated for its inhibitory activity against human beta-1 adrenergic receptor (AR)
50010299	16	ChEMBL_37380 (CHEMBL649970)	Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human Beta-1 adrenergic receptor in the presence of [125I]iodocyanopindolol
50010299	4	ChEMBL_38260 (CHEMBL646903)	Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta-1 adrenergic receptor (AR) in the presence of [125I]iodocyanopindolol
50010299	3	ChEMBL_38313 (CHEMBL647876)	Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta-2 adrenergic receptor (AR) in the presence of [125I]-iodocyanopindolol
50010299	7	ChEBML_37249	Compound was evaluated for its inhibitory activity against human beta-1 adrenergic receptor (AR) at a concentration of 10000 nm
50010299	11	ChEBML_38314	Inhibitory activity against CHO cells expressing human Beta-2 adrenergic receptor with [125I]-iodocyanopindolol
50010299	17	ChEMBL_38297 (CHEMBL647101)	Percent adenylyl cyclase activation at 10000 nM of compound concentration
50010302	4	ChEMBL_160982 (CHEMBL769322)	In vitro inhibitory activity against prothrombinase (PTase) complex
50010302	6	ChEMBL_48966 (CHEMBL661677)	Inhibitory activity against Coagulation factor X
50010302	3	ChEBML_160982	In vitro inhibitory activity against prothrombinase (PTase) complex
50010306	3	ChEMBL_205877 (CHEMBL813938)	Binding affinity towards Tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand
50010306	2	ChEBML_205877	Binding affinity towards Tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand
50010311	3	ChEBML_210827	Dissociation constant of compound was evaluated from its IC50 against tryptase at different concentrations
50010312	1	ChEBML_210828	Dissociation constant of compound was evaluated from its IC50 against tryptase at different concentrations
50010345	4	ChEBML_197658	Inhibitory activity against human serine protease chymase
50010352	2	ChEMBL_2461 (CHEMBL617350)	Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor
50035090	1	ChEMBL_72304 (CHEMBL688462)	The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase with respect to glutamine.
50035091	6	ChEMBL_62004 (CHEMBL670187)	Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporter
50035091	2	ChEMBL_201650 (CHEMBL806551)	Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter
50035091	3	ChEBML_62004	Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporter
50035091	5	ChEMBL_143122 (CHEMBL748004)	Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter
50035091	7	ChEMBL_142953 (CHEMBL750805)	Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter
50035091	8	ChEMBL_201999 (CHEMBL809444)	Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter
50035091	4	ChEBML_201999	Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter
50035091	1	ChEBML_142953	Inhibition of 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter
50035094	1	ChEBML_27827	Binding affinity towards Acetylcholinesterase from fetal bovine serum
50010366	2	ChEMBL_158893 (CHEMBL760881)	Inhibitory effect against Procollagen C-terminal proteinase
50010366	1	ChEBML_158893	Inhibitory effect against Procollagen C-terminal proteinase
50010369	1	ChEBML_139909	Allosteric inhibition of [3H]NMS (N-methyl-scopolamine) dissociation from porcine cardiac Muscarinic acetylcholine receptor M2
50035096	1	ChEBML_213263	Inhibitory concentration against type-3 17-beta-HSD expressed in HEK293 cells
50035097	2	ChEBML_49010	The compound was tested for its inhibitory activity against Cell division cycle 25A
50010446	2	ChEMBL_202000 (CHEMBL809445)	In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter
50010448	2	ChEMBL_162093 (CHEMBL767785)	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PP1
50010448	3	ChEMBL_162092 (CHEMBL767784)	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of LAR
50010448	4	ChEMBL_162095 (CHEMBL767787)	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PTP-S2
50010448	5	ChEMBL_162094 (CHEMBL767786)	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PP2A
50010448	7	ChEMBL_162096 (CHEMBL767788)	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of PTP1B
50010453	2	ChEBML_51516	The compound was evaluated for its inhibitory activity against COX- 1.
50010453	1	ChEBML_51517	The compound was evaluated for its inhibitory activity against COX- 2.
50010457	1	ChEBML_2311	Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells
50010458	4	ChEBML_32456	Tested for binding affinity against recombinant human Alpha-1D adrenergic receptor using [125I]-HEAT in competition binding assay
50010458	6	ChEBML_34463	Tested for binding affinity against recombinant human Alpha-1B adrenergic receptor using [125I]HEAT in competition binding assay
50000698	8	ChEMBL_62414 (CHEMBL675739)	Compound was evaluated for binding affinity towards Dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence of sodium chloride
50010458	5	ChEBML_33745	Tested for binding affinity against recombinant human Alpha-1A adrenergic receptor using [125I]HEAT in competition binding assay
50000698	4	ChEMBL_62415 (CHEMBL675740)	Displacement of [3H]- spiperone from dopamine receptor D2 of striatal membranes without sodium chloride
50000698	9	ChEMBL_34229 (CHEMBL648723)	Binding affinity towards Alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes
50000698	5	ChEBML_62416	Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence of sodium chloride
50000698	10	ChEMBL_62416 (CHEMBL674821)	Compound was evaluated for binding affinity towards dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the presence of sodium chloride
50000698	2	ChEMBL_62408 (CHEMBL675733)	Compound was evaluated for binding affinity towards Dopamine receptor D2 in striatal membranes, using [3H]- spiperone as radioligand in the absence of sodium chloride
50000698	7	ChEMBL_32325 (CHEMBL643683)	binding affinity towards alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes
50000699	1	ChEMBL_210275 (CHEMBL808522)	In vitro inhibition of thromboxane synthase using [14C]arachidonic acid
50000699	2	ChEMBL_210274 (CHEMBL808521)	In vitro inhibition of Thromboxane synthase using [14C]arachidonic acid as radioligand
50035099	1	ChEMBL_148679 (CHEMBL751053)	Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes
50035099	3	ChEMBL_148863 (CHEMBL756659)	Binding affinity towards Opioid receptor mu 1
50035100	2	ChEBML_143213	Time dependent inhibition against neuronal Nitric Oxide Synthase(nNOS)
50035103	2	ChEMBL_217655 (CHEMBL820190)	Inhibition of cRaf1 kinase in cascade assay
50009587	1	ChEBML_90573	Inhibitory activity against HIV-1 integrase
50009587	2	ChEMBL_90573 (CHEMBL702430)	Inhibitory activity against HIV-1 integrase
50035104	2	ChEMBL_160979 (CHEMBL873461)	Concentration required for 50 percent inhibition of Prothrombin
50035104	3	ChEMBL_160978 (CHEMBL769319)	The compound was evaluated for binding affinity against Prothrombin
50009591	2	ChEBML_34917	Inhibition of Angiotensin I converting enzyme
50009591	1	ChEBML_144612	Inhibition of Neutral endopeptidase
50000706	1	ChEMBL_145205 (CHEMBL753522)	Compound was evaluated for the opioid receptor kappa affinity using guinea pig brain membranes.
50000706	2	ChEBML_145813	Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig brain membranes.
50009594	1	ChEBML_41854	In vitro for inhibition of [14C]taurocholate uptake in baby hamster kidney cells transfected with the cDNA of human Bile acid transporter (H14 cells)
50009596	6	ChEMBL_155887 (CHEMBL769604)	Inhibition of secretory PLA2 activity in Naja naja venom enzyme using [3H]oleate labelled membranes at a concentration of 10 uM
50009596	3	ChEMBL_156040 (CHEMBL764348)	Inhibition of secretory PLA2 activity in bee venom enzyme using [3H]oleate labelled membranes at a concentration of 10 uM
50009605	3	ChEMBL_195095 (CHEMBL795208)	Activation of purified recombinant human Ribonuclease L by the compound was measured as degradation of poly (U) 3'[32P]p5'C3'p
50009605	2	ChEMBL_195094 (CHEMBL795061)	Activation of purified recombinant human Ribonuclease L by the compound was measured as degradation of [32P]-pC11U2C7
50009605	1	ChEBML_195097	Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L
50009605	4	ChEMBL_195097 (CHEMBL795209)	Compound was tested for its binding ability, by displacement of p(A2'p)3A3'[32p]p5'Cp from recombinant human ribonuclease L
50009616	1	ChEBML_217695	The compound was evaluated for the binding affinity against Lactobacillus casei dTMP synthase using spectrophotometric assay
50009617	2	ChEBML_156217	The compound was tested for inhibition of Lipoprotein-associated phospholipase A2 (Lp-PLA2)
50035110	1	ChEBML_29424	Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor.
50009682	2	ChEMBL_36124 (CHEMBL649556)	Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in co-transfected mammalian CV-1 cells
50009682	1	ChEBML_36140	Binding affinity for human androgen receptor transfected into mammalian COS-1 cells
50009682	3	ChEMBL_36140 (CHEMBL872368)	Binding affinity for human androgen receptor transfected into mammalian COS-1 cells
50000709	8	ChEBML_146536	Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum). using [3H]U-69593 as radioligand.
50000709	4	ChEMBL_146259 (CHEMBL757483)	Displacement of [3H]DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).
50000709	1	ChEBML_146440	Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum) using [3H]-DADLE as radioligand.
50000709	9	ChEMBL_145225 (CHEMBL755522)	Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minus cerebellum).
50000709	3	ChEMBL_147158 (CHEMBL758769)	Compound was evaluated for its binding affinity against Opioid receptor delta 1 subtype in guinea pig brain (minus cerebellum) using [3H]DADLE as radioligand.
50000709	6	ChEMBL_146654 (CHEMBL754938)	Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum) using [3H]U-69593 as radioligand.
50000709	2	ChEMBL_146536 (CHEMBL753848)	Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum). using [3H]U-69593 as radioligand.
50000709	7	ChEMBL_145288 (CHEMBL752957)	Compound was evaluated for its binding affinity against Opioid receptor mu 1 subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radioligand.
50000709	5	ChEBML_146409	Compound was evaluated for its binding affinity against opioid receptor mu subtype in guinea pig brain (minus cerebellum) using [3H]DAGO as radioligand.
50000712	1	ChEBML_736	Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells
50035112	4	ChEMBL_159529 (CHEMBL767562)	Antagonist activity against human progesterone receptor (hPR) using cotransfection assay in CV-1 cells
50035112	7	ChEMBL_159396 (CHEMBL763450)	Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line
50035112	5	ChEMBL_159079 (CHEMBL763211)	Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells
50035112	16	ChEMBL_159076 (CHEMBL763208)	Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line
50035112	13	ChEMBL_159077 (CHEMBL763209)	Human progesterone receptor (hPR) agonist activity in T47D human breast cancer cell line
50035112	1	ChEMBL_159559 (CHEMBL765847)	Binding affinity against human progesterone receptor (hPR) in a competitive binding assay
50035112	9	ChEMBL_159080 (CHEMBL763212)	Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells
50035112	15	ChEMBL_66057 (CHEMBL679025)	Cross-reactivity as binding to human estrogen receptor (hER)
50000718	3	ChEBML_146241	In vitro binding activity against opioid receptor mu using [3H]DAGO) as radioligand
50000718	6	ChEBML_145208	In vitro binding activity against opioid receptor kappa using [3H]EKC as radioligand
50000718	5	ChEMBL_146432 (CHEMBL757183)	In vitro binding activity against opioid receptor delta using [3DPDPE] as radioligand
50000718	4	ChEMBL_146242 (CHEMBL755010)	In vitro binding activity against opioid receptor mu using [3H]-DAGO as radioligand
50000718	2	ChEBML_146431	In vitro binding activity against opioid receptor delta using [3H]DPDPE) as radioligand
50000718	1	ChEMBL_145208 (CHEMBL753525)	In vitro binding activity against opioid receptor kappa using [3H]EKC as radioligand
50000720	2	ChEMBL_76052 (CHEMBL687659)	Activity was evaluated by measuring the inhibition of isolated hog H+/K+ ATPase
50035112	2	ChEBML_159079	Human progesterone receptor (hPR) agonist activity expressed in CV-1 cells
50035112	10	ChEMBL_159530 (CHEMBL767563)	Antagonist activity against human progesterone receptor (hPR) expressed in CV-1 cells
50009687	1	ChEMBL_71730 (CHEMBL680409)	In vitro inhibitory activity against rat CHO cells stably expressing human gonadotropin-releasing hormone receptor
50000726	2	ChEMBL_52217 (CHEMBL666686)	Compound was evaluated for its ability to displace [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50000726	3	ChEBML_52218	Compound was evaluated for its ability to displace [3H]LTD4 from LTD4 receptor in guinea pig lung membranes
50000726	4	ChEMBL_52044 (CHEMBL884353)	Compound was evaluated for its ability to displace [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50000726	1	ChEMBL_52045 (CHEMBL666431)	Compound was evaluated for its ability to displace [3H]LTD4 from LTD4 receptor in guinea pig lung membranes
50009687	4	ChEMBL_71309 (CHEMBL686112)	In vitro inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells stably expressing gonadotropin-releasing hormone receptor.
50009687	3	ChEBML_71309	In vitro inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells stably expressing gonadotropin-releasing hormone receptor.
50009688	6	ChEMBL_220906 (CHEMBL824660)	Inhibition of platelet aggregation in human platelet rich plasma (hPRP)
50009688	9	ChEMBL_220106 (CHEMBL842871)	Inhibition of platelet aggregation in human platelet rich plasma (hPRP)
50035115	3	ChEBML_146613	Binding affinity against Opioid receptor delta 1 of calf cortex using [3H]U-69593 as radioligand
50035115	4	ChEMBL_146613 (CHEMBL750114)	Binding affinity against Opioid receptor delta 1 of calf cortex using [3H]U-69593 as radioligand
50009664	3	ChEBML_145496	Inhibition of [3H]naltrindole binding to human Opioid receptor delta 1 in CHO cells
50009670	2	ChEMBL_66419 (CHEMBL677277)	Binding affinity of compound for FK506 binding protein 12
50009670	3	ChEMBL_66291 (CHEMBL678160)	Concentration required to produce a half-maximal FP signal at against FK506 binding protein 12 at ligand concentration of 100 nM
50009679	2	ChEBML_158917	Inhibitory activity against human prostaglandin G/H synthase 1 in platelet-rich plasma measured by the presence of thromboxane A2
50009680	2	ChEBML_220578	Inhibition of 3 nM [3H]clonidine binding to rat kidney membrane imidazoline receptor I-1 in presence of rauwolscine
50035118	3	ChEMBL_33349 (CHEMBL646117)	Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand
50009732	1	ChEBML_160293	Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha
50009737	1	ChEBML_147421	Inhibitory concentration was evaluated against P2X purinoceptor 7
50009760	1	ChEBML_48953	Inhibitory activity against rabbit Coagulation factor X
50009765	1	ChEBML_158645	Inhibition against hepatitis C virus protease NS3 activity
50009899	20	ChEBML_32651	Inhibition of alphaV-beta3 mediated cell adhesion
50042166	3	ChEBML_214675	Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA
50042166	4	ChEBML_214676	Inhibition of human VCAM and Ramos cell VLA-4 interaction
50009770	7	ChEMBL_48623 (CHEMBL659604)	Concentration required to inhibit the cleavage of the chromogenic substrate by human enzyme Coagulation factor X in vitro
50009770	3	ChEMBL_48803 (CHEMBL662828)	Concentration required for classical fast inhibition of cleavage of the chromogenic substrate by human enzyme Coagulation factor X in vitro
50009770	2	ChEBML_212707	In vitro inhibition of human trypsin.
50009770	8	ChEMBL_155069 (CHEMBL764387)	In vitro inhibition of human plasmin.
50009770	5	ChEBML_207979	In vitro inhibition of human thrombin.
50009770	9	ChEMBL_48625 (CHEMBL659606)	In vitro inhibition of human Coagulation factor X.
50009770	10	ChEMBL_207979 (CHEMBL815805)	In vitro inhibition of human thrombin.
50009770	11	ChEMBL_212707 (CHEMBL821311)	In vitro inhibition of human trypsin.
50009770	4	ChEBML_48807	In vitro inhibitory activity against human Coagulation factor X
50009770	1	ChEBML_155069	In vitro inhibition of human plasmin.
50009781	2	ChEMBL_99644 (CHEMBL873871)	Compound was tested for inhibition against binding of radioligand [3H]LTB4 to Leukotriene B4 receptor in human neutrophil membranes
50035120	5	ChEMBL_146124 (CHEMBL754593)	Compound was tested for inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1
50009876	2	ChEMBL_41055 (CHEMBL648219)	The compound was evaluated for inhibition against Beta-lactamase derived from Staphylococcus aureus
50009876	1	ChEBML_41361	The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus
50009876	4	ChEMBL_41361 (CHEMBL656040)	The compound was evaluated for inhibition against Beta-lactamase TEM derived from Staphylococcus aureus
50009877	1	ChEBML_47849	The compound was evaluated for inhibition against Class C beta-lactamase derived from Enterobacter cloacae P99
50009877	4	ChEMBL_47850 (CHEMBL660938)	Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99
50009877	7	ChEMBL_47855 (CHEMBL660942)	Inhibition of GC1 extended spectrum class C beta-lactamase
50009877	2	ChEMBL_47854 (CHEMBL660941)	The compound was evaluated for inhibition against the GC1 extended spectrum Class C beta-lactamase
50042164	2	ChEMBL_70360 (CHEMBL677185)	The compound was tested for its inhibitory activity against platelet aggregation
50009884	2	ChEMBL_64017 (CHEMBL671538)	Tested for binding affinity towards rabbit Endothelin B receptor
50009884	4	ChEMBL_63198 (CHEMBL676566)	Tested for binding affinity towards rabbit Endothelin A receptor
50009884	5	ChEMBL_65626 (CHEMBL681509)	Tested for binding affinity towards human Endothelin A receptor
50009884	3	ChEBML_64017	Tested for binding affinity towards rabbit Endothelin B receptor
50009887	5	ChEBML_2725	In vitro binding affinity towards human 5-hydroxytryptamine 2C receptor expressed in HEK293 cells was determined using [3H]mesulergine as radioligand
50009887	1	ChEBML_2725	In vitro binding affinity towards human 5-hydroxytryptamine 2C receptor expressed in HEK293 cells was determined using [3H]mesulergine as radioligand
50009887	4	ChEMBL_2264 (CHEMBL617051)	Functional agonist activity of compound was determined by fluorescence-based assay measuring intracellular calcium mobilization for 5-HT2a receptor cell line
50009887	2	ChEBML_2307	In vitro binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK293 cells was determined using [3H]ketanserin as radioligand
50009887	6	ChEMBL_2725 (CHEMBL617285)	In vitro binding affinity towards human 5-hydroxytryptamine 2C receptor expressed in HEK293 cells was determined using [3H]mesulergine as radioligand
50009887	3	ChEMBL_2266 (CHEMBL617053)	Functional antagonist activity of compound was determined by fluorescence-based assay measuring intracellular calcium mobilization for 5-HT2a receptor cell line
50009891	8	ChEMBL_64437 (CHEMBL674012)	Tested for inhibition of EGF-receptor tyrosine kinase in intact cells
50009891	12	ChEBML_154722	Inhibition of PDGF-receptor kinase
50009891	11	ChEBML_226000	Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl
50009893	3	ChEBML_212533	In vitro inhibitory activity against bovine cationic trypsin
50042165	2	ChEBML_217441	Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells
50048497	3	ChEMBL_156922 (CHEMBL763956)	Inhibition of rolipram binding to PDE4
50048497	5	ChEMBL_156917 (CHEMBL763951)	Inhibition of human neutrophil phosphodiesterase 4
50048497	1	ChEBML_156918	Percent inhibition of human Phosphodiesterase 4 at 10e-7 M
50048497	9	ChEMBL_156915 (CHEMBL763949)	Inhibition of human Phosphodiesterase 4
50048498	2	ChEMBL_155409 (CHEMBL766111)	Compound was tested for inhibition of plasmin
50048498	3	ChEMBL_213034 (CHEMBL816972)	Compound was tested for inhibition of trypsin
50048497	4	ChEBML_156917	Inhibition of human neutrophil phosphodiesterase 4
50048498	4	ChEMBL_222782 (CHEMBL847111)	Compound was tested for inhibition of plasmin
50010492	1	ChEBML_40342	Inhibition of RANTES-induced migration of human embryonic kidney (CCR1/HEK) cell transfectants
50010498	3	ChEMBL_31129 (CHEMBL643557)	Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay
50010498	1	ChEMBL_31128 (CHEMBL643556)	Inhibitory activity against cytosolic adenosine kinase by ADO phosphorylation assay
50010498	2	ChEBML_31129	Inhibitory activity against intact cell adenosine kinase by ADO phosphorylation assay
50010499	2	ChEMBL_124640 (CHEMBL731495)	Inhibition of Mitogen-activated protein kinase p38 alpha 2
50010933	1	ChEMBL_201309 (CHEMBL805797)	Inhibitory concentration against neutral sphingomyelinase (N-Smase) from rat brain microsomes
50010944	2	ChEMBL_158927 (CHEMBL768832)	Inhibitory concentration against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)
50010944	1	ChEBML_159252	Inhibitory concentration against human recombinant Prostaglandin G/H synthase 1 cloned and expressed in baculovirus (Sf9)
50035125	1	ChEMBL_31393 (CHEMBL643651)	Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, by activation of human A3AR receptor
50035125	7	ChEBML_31699	Ability to displace specific radioligand [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cells
50010899	29	ChEMBL_139209 (CHEMBL745684)	Binding affinity to cloned Muscarinic acetylcholine receptor M1
50010899	28	ChEBML_147338	Binding affinity to cloned Opioid receptor delta 1
50010899	20	ChEMBL_138181 (CHEMBL749202)	Binding affinity to cloned Muscarinic acetylcholine receptor M2
50010899	18	ChEBML_138181	Binding affinity to cloned Muscarinic acetylcholine receptor M2
50010900	2	ChEBML_213135	Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)
50010903	18	ChEMBL_105685 (CHEMBL716467)	Inhibition of MAPK kinase (MEK)
50010903	15	ChEBML_76789	Inhibition of c-erbB-2 overexpressing HB4a cell proliferation
50010903	19	ChEMBL_42235 (CHEMBL655528)	Inhibition of erbB2 overexpressing Calu3 cell proliferation
50010903	17	ChEMBL_76792 (CHEMBL856039)	Inhibition of erbB2 overexpressing HB4a.e5.2 cell proliferation
50010903	14	ChEMBL_78512 (CHEMBL690548)	Inhibition of EGF receptor overexpressing HN5 cell proliferation
50010904	3	ChEMBL_60728 (CHEMBL672141)	Inhibition of Dual specificity mitogen-activated protein kinase kinase in coupled activated Raf/MEK assay
50010904	1	ChEMBL_60730 (CHEMBL672143)	Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using coupled MEK assay (which uses activated Raf to activate an inactivate GST-MEK)
50010904	4	ChEBML_60728	Inhibition of Dual specificity mitogen-activated protein kinase kinase in coupled activated Raf/MEK assay
50010904	5	ChEMBL_60851 (CHEMBL675993)	Inhibitory activity against Dual specificity mitogen-activated protein kinase kinase using direct MEK assay (which by-passes the need for activated Raf by using an activated GST-MEK)
50010904	2	ChEMBL_60729 (CHEMBL672142)	Inhibition of Dual specificity mitogen-activated protein kinase kinase in direct activated MEK assay
50010907	2	ChEMBL_88604 (CHEMBL701183)	Inhibitory concentration required against recombinant wild type HIV integrase by reproducible assay (Strand transfer)
50035127	1	ChEBML_39502	Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes
50010909	3	ChEMBL_41918 (CHEMBL884136)	Agonistic activity of the compound against C-C chemokine receptor type 3 by displacing Eotaxin-2 radioligand,using [Ca2+] mobilization assay
50010909	2	ChEMBL_41919 (CHEMBL650501)	Agonistic activity of the compound against C-C chemokine receptor type 3 by displacing MCP-4 radioligand,using Esonophil chemotaxis assay
50010909	5	ChEMBL_41916 (CHEMBL856080)	Agonistic activity of the compound against C-C chemokine receptor type 3 by displacing Eotaxin radioligand,using [Ca2+] mobilization assay
50010909	6	ChEMBL_41920 (CHEMBL650502)	Agonistic activity of the compound against C-C chemokine receptor type 3 by displacing [125I]-MCP-4 radioligand,using CCR3 binding assay
50010909	7	ChEMBL_39479 (CHEMBL650420)	Inhibitory activity against human eosinophil C-C chemokine receptor type 3 using [125I]- human eotaxin as the radioligand
50010910	2	ChEBML_41921	Antagonist activity against C-C chemokine receptor type 3
50010971	3	ChEMBL_350 (CHEMBL615323)	Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from Escherichia coli
50010971	2	ChEMBL_351 (CHEMBL615407)	Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from Escherichia coli
50010977	4	ChEBML_105364	Inhibition of matrix metalloprotease-9
50010978	1	ChEBML_158574	Inhibitory concentration against Prostaglandin G/H synthase 1
50000750	1	ChEBML_80666	In vitro inhibitory activity against rat liver HMG-CoA reductase enzyme
50000752	2	ChEMBL_80659 (CHEMBL691944)	In vitro ability to inhibit solubilized, partially purified, rat liver HMG-CoA reductase
50035130	3	ChEMBL_152574 (CHEMBL759752)	Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli
50000752	1	ChEBML_80659	In vitro ability to inhibit solubilized, partially purified, rat liver HMG-CoA reductase
50035131	1	ChEBML_61023	Inhibitory concentration against E-selectin
50010990	1	ChEMBL_48934 (CHEMBL661648)	In vitro human CETP inhibitory activity assessed by measuring the rate of [3H]cholesteryl ester ([3H]CE) from HDL donor particles to LDL acceptor particles using human serum by serum transfer assay
50010990	4	ChEMBL_48933 (CHEMBL665928)	Inhibition of recombinant human CETP mediated transfer of [3H]cholesteryl ester from HDL to LDL
50010998	2	ChEMBL_216577 (CHEMBL818888)	Binding affinity for wild type Src SH2 domain using BIAcore binding assay
50010998	1	ChEBML_52037	Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assay
50035133	3	ChEMBL_159657 (CHEMBL761611)	Inhibitory concentration against purified recombinant human Poly (ADP-ribose) polymerase 1
50035135	2	ChEBML_145276	Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO
50035135	5	ChEMBL_145277 (CHEMBL751213)	Binding affinity towards guinea pig Opioid receptor mu 1 using radioligand [3H]DAMGO
50035135	4	ChEBML_145509	Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U69,593
50035135	1	ChEBML_146509	Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593
50035135	3	ChEMBL_145509 (CHEMBL752151)	Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U69,593
50011010	1	ChEMBL_71605 (CHEMBL689137)	Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the absence of bovine serum albumin (BSA)
50011010	4	ChEMBL_178770 (CHEMBL784303)	Inhibition GnRH-stimulated luteinizing hormone (LH) release from rat pituitary cells
50011010	2	ChEMBL_71606 (CHEMBL689138)	Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the presence of 0.1% bovine serum albumin.
50011010	3	ChEBML_71605	Inhibition of [125I]buserelin binding to rat pituitary Gonadotropin-releasing hormone receptor, in the absence of bovine serum albumin (BSA)
50011011	6	ChEMBL_71728 (CHEMBL680407)	Inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells
50011011	7	ChEMBL_71452 (CHEMBL685981)	Inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.
50011011	2	ChEMBL_71449 (CHEMBL684348)	Inhibition of [125I]buserelin binding to human Gonadotropin-releasing hormone receptor.
50011011	8	ChEMBL_71604 (CHEMBL689136)	Inhibition of [125I]buserelin binding to rat Gonadotropin-releasing hormone receptor.
50011011	4	ChEMBL_71450 (CHEMBL684349)	Inhibition of [125I]buserelin binding to rat Gonadotropin-releasing hormone receptor.
50011011	3	ChEMBL_166183 (CHEMBL770867)	Compound tested for the inhibition of GnRH-stimulated luteinizing hormone (LH) release in rat pituitary cells
50011011	5	ChEBML_71452	Inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned chinese hamster ovary (CHO) cells expressing human GnRH receptor.
50035137	1	ChEBML_45058	Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)
50035137	3	ChEBML_47505	Compound was evaluated for binding affinity against human carbonic anhydrase II (hCA -II)
50035137	2	ChEBML_45271	Compound was evaluated for binding affinity against bovine Carbonic anhydrase IV
50011065	3	ChEMBL_162515 (CHEMBL766761)	Compound was evaluated for its ability to inhibit human Purinergic receptor P2Y12 expressed in Xenopus oocyte
50035138	2	ChEMBL_69264 (CHEMBL677082)	Inhibitory activity against fucosyltransferase (FucT V) in the presence of 10 mM fucosyl acceptor N-acetyllactosamine
50035139	5	ChEMBL_67827 (CHEMBL677223)	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta
50035139	3	ChEMBL_67502 (CHEMBL679893)	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha
50035139	1	ChEMBL_67821 (CHEMBL677051)	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta
50035140	2	ChEMBL_101651 (CHEMBL710307)	Inhibitory concentration determined on an HIV infection model mediated by CXCR4
50035140	3	ChEMBL_101466 (CHEMBL712344)	Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
50035140	1	ChEBML_101466	Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assay
50035142	1	ChEBML_63768	In vitro inhibitory activity against Epidermal growth factor receptor (EGFR-TK) from A431 vulval squamous carcinoma cells using TKI assay
50035146	1	ChEMBL_84953 (CHEMBL697754)	Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a
50035146	2	ChEBML_84953	Functional potency measured as intracellular calcium elevation in Hek-293 cells expressing hGHSR1a
50035146	3	ChEMBL_72513 (CHEMBL685178)	Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed as IC50
50011049	2	ChEBML_106479	In vitro inhibitory concentration against Matrix metalloprotease-13
50011056	4	ChEMBL_215975 (CHEMBL821004)	Concentration required to reduce binding of fibrinogen (Fg) to alpha IIb beta-3 integrin by 50%
50011056	5	ChEMBL_214621 (CHEMBL819701)	Concentration required to reduce binding of human 293 cell attachment to immobilized vitronectin receptor (Vn/293) by 50%
50011059	8	ChEBML_158309	Binding affinity towards mouse Prostanoid EP2 receptor expressed in CHO cells.
50011059	3	ChEBML_158449	Binding affinity towards mouse Prostanoid EP4 receptor in CHO cells.
50011059	5	ChEMBL_158307 (CHEMBL763192)	Effective concentration which increases intracellular c-AMP production in mouse Prostanoid EP2 receptor
50011059	4	ChEBML_158461	Effective concentration which increases intracellular c-AMP production in human Prostanoid IP receptor
50011059	10	ChEMBL_158309 (CHEMBL763366)	Binding affinity towards mouse Prostanoid EP2 receptor expressed in CHO cells.
50011059	2	ChEBML_158179	Binding affinity towards mouse Prostanoid EP1 receptor in CHO cells.
50011059	9	ChEBML_158323	Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells.
50011059	11	ChEMBL_158467 (CHEMBL764126)	Binding affinity towards human Prostanoid IP receptor in CHO cells.
50000758	3	ChEMBL_154063 (CHEMBL761034)	Binding affinity by displacement of [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate preparation of rat brain without cerebellum (in vitro)
50000758	2	ChEBML_154063	Binding affinity by displacement of [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate preparation of rat brain without cerebellum (in vitro)
50000758	1	ChEMBL_154062 (CHEMBL761033)	Binding affinity by displacement of [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate preparation of rat brain without cerebellum
50000759	1	ChEBML_213552	Displacement of [3H]vesamicol from Vesamicol receptor of Torpedo californica
50000759	2	ChEMBL_213552 (CHEMBL816912)	Displacement of [3H]vesamicol from Vesamicol receptor of Torpedo californica
50000761	5	ChEMBL_36057 (CHEMBL645588)	In vitro inhibitory concentration against Aromatase was determined using [1-beta,2beta-3H]testosterone as radioligand
50000761	4	ChEMBL_50537 (CHEMBL661154)	In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1-beta,2beta-3H]testosterone as radioligand
50000761	2	ChEBML_50537	In vitro inhibitory concentration against human placental Cytochrome P450 19A was determined using [1-beta,2beta-3H]testosterone as radioligand
50035979	1	ChEBML_61992	Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.
50000761	3	ChEMBL_50538 (CHEMBL661155)	Inhibition of rat ovarian Cytochrome P450 19A
50000761	1	ChEBML_50538	Inhibition of rat ovarian Cytochrome P450 19A
50000762	1	ChEBML_195978	The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.
50011060	7	ChEMBL_158447 (CHEMBL763251)	Effective concentration which increases intracellular c-AMP production in mouse Prostanoid EP4 receptor
50011060	3	ChEMBL_158450 (CHEMBL763254)	Evaluated for its competitive binding affinity towards mouse Prostanoid EP4 receptor in CHO cells expressing prostanoid receptor
50011061	7	ChEMBL_158451 (CHEMBL763255)	Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells
50011061	8	ChEMBL_158295 (CHEMBL763180)	Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells
50011061	9	ChEMBL_158325 (CHEMBL764951)	Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells
50011061	2	ChEMBL_158448 (CHEMBL763252)	Effective concentration for increased intracellular c-AMP production by mouse Prostanoid EP4 receptor
50011061	10	ChEMBL_158469 (CHEMBL764128)	Affinity for human Prostanoid IP receptor expressed in CHO cells
50011061	5	ChEBML_158325	Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells
50011061	4	ChEBML_158311	Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells
50011061	3	ChEBML_158451	Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells
50011148	3	ChEBML_88713	In vitro inhibition against N-type calcium influx in IMR-32 cells
50011149	1	ChEBML_30641	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme
50011149	2	ChEMBL_30642 (CHEMBL645535)	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of intact cells
50011149	3	ChEMBL_30641 (CHEMBL645534)	In vitro concentration required for 50% inhibition against Adenosine Kinase (AK) in the presence of enzyme
50035147	4	ChEMBL_62502 (CHEMBL677559)	Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane
50035147	14	ChEMBL_144990 (CHEMBL755916)	Displacement of [3H]NE from Norepinephrine transporter of rat brain
50035147	8	ChEBML_62502	Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane
50035147	1	ChEMBL_201992 (CHEMBL809437)	Displacement of [3H]5-HT from serotonin transporter of rat brain
50035147	15	ChEMBL_201665 (CHEMBL803039)	Inhibitory concentration binding to Serotonin transporter using 0.5 nM Nisoxetine
50035147	7	ChEMBL_62157 (CHEMBL676560)	Inhibitory concentration binding to dopamine transporter using 0.5 nM [3H]WIN-35428
50035147	3	ChEMBL_62156 (CHEMBL676559)	Inhibitory concentration binding to Dopamine transporter using 0.5 nM [3H]WIN-35428
50035147	5	ChEMBL_144982 (CHEMBL754324)	Inhibitory concentration binding to Norepinephrine transporter using 0.2 nM paroxetine
50000772	2	ChEBML_146268	The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.
50000772	3	ChEBML_147292	The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.
50000772	1	ChEBML_145349	The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.
50035148	3	ChEMBL_158888 (CHEMBL760876)	Inhibitory activity against procollagen C-Proteinase (PCP).
50011156	1	ChEMBL_209263 (CHEMBL817560)	In vitro displacement of [3H]S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 uM) from thrombin receptor (PAR-1) on the membranes of CHRF-288-11 cells
50011156	4	ChEMBL_90174 (CHEMBL697152)	In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)
50011156	2	ChEMBL_90172 (CHEMBL696993)	In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)
50011156	3	ChEBML_90174	In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)
50011160	3	ChEMBL_202785 (CHEMBL808039)	Binding affinity for Src protein tyrosine kinase SH2 domain
50011160	4	ChEMBL_202787 (CHEMBL808041)	Binding affinity was determined on Src protein tyrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution
50011160	2	ChEMBL_202788 (CHEMBL808042)	Binding affinity for Src protein tyrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution
50011160	1	ChEBML_202785	Binding affinity for Src protein tyrosine kinase SH2 domain
50011164	3	ChEBML_105542	Inhibition of Matrix metalloprotease-9
50000778	2	ChEMBL_28553 (CHEMBL641005)	Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptors in rat whole brain membrane
50011164	7	ChEMBL_105661 (CHEMBL718974)	Inhibition of Matrix metalloprotease-9
50000778	1	ChEBML_28553	Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A1 receptors in rat whole brain membrane
50011169	10	ChEMBL_41913 (CHEMBL655704)	Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells
50011169	2	ChEMBL_41907 (CHEMBL655698)	Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells
50011212	2	ChEBML_210702	Inhibitory activity against human tryptase enzyme
50000782	3	ChEBML_122794	In vitro binding affinity towards Monoamine Oxidase A in human
50000782	1	ChEBML_123445	In vitro binding affinity towards Monoamine Oxidase A in rat
50000782	5	ChEMBL_123289 (CHEMBL732390)	The compound was tested in vitro for inhibition of Monoamine Oxidase A from rat brain
50000782	2	ChEMBL_123445 (CHEMBL731836)	In vitro binding affinity towards Monoamine Oxidase A in rat
50000783	1	ChEMBL_31930 (CHEMBL884118)	Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glyceraldehyde
50000783	3	ChEBML_157078	Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.
50000783	2	ChEMBL_157080 (CHEMBL765524)	Compound was tested for the rate of reduction of glyceraldehyde by human placental aldose reductase.
50000783	6	ChEMBL_31929 (CHEMBL642972)	Compound was tested for the inhibition of the rat lens aldose reductase using the substrate as glucose.
50000783	4	ChEMBL_157078 (CHEMBL764860)	Compound was tested for the inhibition of the human placental aldose reductase using the substrate as glyceraldehyde.
50000783	7	ChEMBL_31759 (CHEMBL641353)	Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.
50035150	3	ChEBML_142946	Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissue
50035150	2	ChEBML_201513	Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue
50035150	4	ChEMBL_201513 (CHEMBL806972)	Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue
50011217	2	ChEBML_143485	Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the absence of Zn2+
50011217	1	ChEMBL_143485 (CHEMBL751825)	Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the absence of Zn2+
50011217	3	ChEMBL_143486 (CHEMBL751826)	Inhibitory activity against hepatitis C virus (HCV) NS3 protease in the presence of Zn2+.
50011223	8	ChEMBL_153498 (CHEMBL760304)	Agonist activity against human PPAR delta receptor in CV-1 cell was determined
50011223	1	ChEBML_153720	Agonist activity against human Peroxisome proliferator activated receptor delta in CV-1 cell was determined
50011223	5	ChEMBL_153237 (CHEMBL764649)	Agonist activity against human Peroxisome proliferator activated receptor alpha in CV-1 cell was determined
50011223	9	ChEMBL_153238 (CHEMBL764650)	Agonist activity against human Peroxisome proliferator activated receptor alpha receptor in CV-1 cell was determined
50011223	10	ChEMBL_153720 (CHEMBL762048)	Agonist activity against human Peroxisome proliferator activated receptor delta in CV-1 cell was determined
50011246	3	ChEBML_216785	Difference between inhibition of alpha-chymotrypsin by the UV light and inhibition of alpha-chymotrypsin by the ambient light
50011246	2	ChEMBL_216786 (CHEMBL817062)	Inhibition constant for inhibition of alpha-chymotrypsin by the UV light
50011246	1	ChEMBL_216787 (CHEMBL817063)	Inhibition constant for inhibition of alpha-chymotrypsin by the ambient light
50011250	1	ChEBML_155203	Inhibition of PDE5 from human platelets
50011253	1	ChEBML_49702	Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells
50011253	2	ChEMBL_49702 (CHEMBL661605)	Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells
50035153	26	ChEMBL_37437 (CHEMBL650052)	Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.
50035153	2	ChEMBL_37432 (CHEMBL650048)	Inhibitory activity towards Beta-Glucosidase from Almond
50035153	6	ChEMBL_39387 (CHEMBL659245)	Inhibitory activity towards Beta-galactosidase from Aspergillus niger
50035153	17	ChEMBL_32383 (CHEMBL646764)	Inhibitory activity towards Alpha-mannosidase from Jack bean
50035153	4	ChEBML_32354	Inhibitory activity towards Alpha-mannosidase from Almond
50035153	3	ChEBML_37440	Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol
50035153	1	ChEMBL_37286 (CHEMBL655198)	Inhibitory activity towards Beta-galactosidase from Bovine liver
50035153	27	ChEMBL_37428 (CHEMBL650045)	Inhibitory activity towards Beta-Glucosidase from Almond
50035153	28	ChEMBL_32380 (CHEMBL649020)	Inhibitory activity towards Alpha-mannosidase from Jack bean
50035153	7	ChEMBL_37440 (CHEMBL648536)	Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol
50035153	13	ChEMBL_32371 (CHEMBL649011)	Inhibitory activity towards Alpha-mannosidase from Almond
50035153	16	ChEMBL_32354 (CHEMBL643622)	Inhibitory activity towards Alpha-mannosidase from Almond
50035153	20	ChEMBL_32362 (CHEMBL643847)	Inhibitory activity towards Alpha-mannosidase from Almond
50000788	4	ChEMBL_195954 (CHEMBL806849)	Inhibitory activity against human plasma renin
50000788	2	ChEBML_192728	Inhibitory activity against monkey plasma renin.
50000788	6	ChEMBL_192728 (CHEMBL801755)	Inhibitory activity against monkey plasma renin.
50000788	3	ChEBML_45146	Inhibitory activity against bovine Cathepsin D was determined
50000788	5	ChEMBL_195956 (CHEMBL806851)	Inhibitory activity against human plasma renin; G means not measured
50000788	1	ChEMBL_45146 (CHEMBL657340)	Inhibitory activity against bovine Cathepsin D was determined
50035945	3	ChEMBL_145153 (CHEMBL755957)	Binding affinity against Opioid receptor mu 1 was measured in the guinea pig brain membranes using [3H]DAMGO as radioligand
50000790	1	ChEBML_31454	In vitro inhibition of aldose reductase in partially purified bovine lens preparation at a concentration of 10e -8M.
50000791	1	ChEBML_734	In vitro inhibition of rat 5-Lipoxygenase
50000791	2	ChEMBL_734 (CHEMBL615636)	In vitro inhibition of rat 5-Lipoxygenase
50001027	1	ChEBML_90277	Inhibition of insulin receptor autophosphorylation
50000794	1	ChEBML_32094	Inhibitory activity against aldose reductase in rat lens
50000794	2	ChEMBL_32103 (CHEMBL644304)	The compound was tested for the inhibition of Aldose reductase in rat lens assay.
50000794	3	ChEMBL_32094 (CHEMBL644297)	Inhibitory activity against aldose reductase in rat lens
50035153	5	ChEBML_37428	Inhibitory activity towards Beta-Glucosidase from Almond
50011261	6	ChEBML_216043	Compound was tested for inhibition of bovine beta trypsin
50011262	4	ChEMBL_67517 (CHEMBL872900)	Displacement of [3H]estradiol from Estrogen receptor alpha
50011262	5	ChEMBL_67826 (CHEMBL677222)	Displacement of [3H]estradiol from Estrogen receptor beta
50035155	3	ChEMBL_58635 (CHEMBL665385)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells
50035155	16	ChEMBL_60817 (CHEMBL673419)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D4 expressed in CHO cells; Low binding affinity
50035155	22	ChEMBL_62299 (CHEMBL675221)	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells
50035155	8	ChEMBL_58637 (CHEMBL665386)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells; high binding affinity
50035155	7	ChEMBL_60815 (CHEMBL674967)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D4 expressed in CHO cells
50035155	4	ChEBML_62425	In vitro for its ability to displace [3H]- spiperoneI from cloned human Dopamine receptor D3 expressed in CHO cells; Low binding affinity
50035155	5	ChEBML_60342	In vitro for its ability to displace [3H]- SCH 23390 from Dopamine receptor D1 in bovine striatal membrane expressed in CHO cells
50035155	23	ChEMBL_60342 (CHEMBL671328)	In vitro for its ability to displace [3H]- SCH 23390 from Dopamine receptor D1 in bovine striatal membrane expressed in CHO cells
50035155	13	ChEBML_58947	Agonist effect on the Dopamine D4.2 receptor was determined by evaluating effective concentration causing stimulation of mitogenesis
50035155	24	ChEMBL_58320 (CHEMBL671178)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells
50035155	2	ChEBML_58449	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells; Low binding affinity
50035155	20	ChEMBL_58636 (CHEMBL875028)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells; Low binding affinity
50035155	25	ChEMBL_58947 (CHEMBL671261)	Agonist effect on the Dopamine D4.2 receptor was determined by evaluating effective concentration causing stimulation of mitogenesis
50035155	18	ChEMBL_60818 (CHEMBL673420)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D4 expressed in CHO cells; Low binding affinity
50035155	21	ChEMBL_60819 (CHEMBL673421)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D4 expressed in CHO cells; high binding affinity
50035155	1	ChEMBL_60816 (CHEMBL673418)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D4 expressed in CHO cells; High binding affinity
50011267	3	ChEMBL_72873 (CHEMBL684124)	Affinity for human glucagon receptor in presence of Mg2+
50011267	4	ChEMBL_124179 (CHEMBL732095)	Binding affinity towards human Mitogen-activated protein kinase p38 expressed as IC50
50011267	2	ChEBML_72873	Affinity for human glucagon receptor in presence of Mg2+
50035156	6	ChEMBL_34090 (CHEMBL647982)	Inhibitory activity against alpha-L-Fucosidase of human placenta expressed as Ki
50035156	7	ChEMBL_34082 (CHEMBL647974)	Inhibitory concentration against alpha-L-Fucosidase of human placenta
50035156	2	ChEMBL_33950 (CHEMBL649575)	Inhibitory concentration against alpha-L-Fucosidase of bovine epididymis
50035156	8	ChEBML_39207	Inhibitory concentration against Beta-D-galactosidase of bovine liver
50035156	5	ChEMBL_39194 (CHEMBL654489)	Inhibitory concentration against Beta-D-galactosidase of Aspergillus niger
50035156	3	ChEMBL_33963 (CHEMBL649588)	Inhibitory activity against alpha-L-Fucosidase of bovine epididymis expressed as Ki
50035156	13	ChEMBL_33965 (CHEMBL649590)	In vitro inhibition of alpha-L-fucosidase isolated from bovine kidney.
50035156	14	ChEMBL_39198 (CHEMBL654493)	Inhibitory activity against Beta-D-galactosidase of Aspergillus niger expressed as Ki
50035156	1	ChEMBL_33964 (CHEMBL649589)	Inhibitory activity against alpha-L-fucosidase of bovine epididymis expressed as Ki
50011269	1	ChEMBL_72011 (CHEMBL681800)	In vitro inhibitory concentration against Glutaminase activity of bacterial Glu-tRNA-Gln aminotransferase (Glu-AdT)
50011269	3	ChEMBL_72840 (CHEMBL684767)	In vitro inhibitory concentration against transferase activity of bacterial Glu-tRNA-Gln aminotransferase (Glu-AdT)
50011269	2	ChEBML_72011	In vitro inhibitory concentration against Glutaminase activity of bacterial Glu-tRNA-Gln aminotransferase (Glu-AdT)
50035157	4	ChEMBL_155615 (CHEMBL766350)	Inhibitory activity of compound against Plasminogen activator inhibitor-1
50000797	4	ChEMBL_31340 (CHEMBL645546)	In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration
50000797	1	ChEMBL_31457 (CHEMBL643939)	Inhibition of aldose reductase activity was measured on partially purified bovine lens preparations incubated in presence of 50 mM glucose.
50000797	2	ChEMBL_31341 (CHEMBL645547)	In vitro Inhibition of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration
50000797	3	ChEBML_31339	In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-6 M concentration
50035157	3	ChEMBL_155617 (CHEMBL766352)	Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through fibrin plate assay
50042167	6	ChEMBL_217438 (CHEMBL823337)	Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell
50042167	5	ChEMBL_217308 (CHEMBL823929)	Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA
50042167	4	ChEMBL_217442 (CHEMBL823341)	Inhibition of Alpha4-beta1 integrin in Jurkat cells
50000800	1	ChEBML_209599	The compound was tested for inhibition of specific binding of [3H]-SQ 29,548 to thromboxane A2 receptor in human platelet membranes
50011277	1	ChEBML_71456	Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]buserelin.
50000812	1	ChEMBL_36481 (CHEMBL651550)	Binding affinity against Angiotensin II receptor in rat smooth muscle cell preparations
50000812	2	ChEBML_36482	Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations
50000813	8	ChEMBL_158828 (CHEMBL884929)	Inhibition of canine platelet-rich plasma agregation induced by ADP
50011277	3	ChEMBL_71456 (CHEMBL685985)	Binding inhibition towards human pituitary gonadotropin-releasing hormone receptor using [125I]buserelin.
50000813	7	ChEMBL_70334 (CHEMBL678839)	Inhibition of 125[I] Fibrinogen binding to isolated purified human fibrinogen receptor
50011277	2	ChEMBL_71576 (CHEMBL684236)	In vitro functional antagonism via inhibition of GnRH-stimulated phosphatidylinositol (PI) hydrolysis in cloned Chinese hamster ovary (CHO) cells stably expressing the human GnRH receptor.
50000813	6	ChEMBL_90488 (CHEMBL702489)	Inhibition of human washed platelet aggregation
50000813	5	ChEMBL_58118 (CHEMBL666889)	Inhibition of thrombin-stimulated platelet aggregation in dogs
50000825	1	ChEBML_71573	Inhibition of [125I]7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane
50000825	4	ChEMBL_31296 (CHEMBL643977)	Binding activity against Adenylate cyclase in bovine brain membrane using [125I]6-IHPP-Fsk as the radioligand.
50000825	2	ChEMBL_71572 (CHEMBL684233)	Binding activity against Glucose transporter in human erythrocyte membrane using [125I]7-IHPP-Fsk as the radioligand.
50000825	3	ChEBML_31291	Displacement of [125I]6-IHPP-Fsk from adenylate cyclase of bovine brain membrane
50035158	3	ChEMBL_27389 (CHEMBL644294)	Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM
50035158	4	ChEMBL_27388 (CHEMBL644293)	Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain
50035158	1	ChEMBL_27387 (CHEMBL644292)	Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain
50035160	1	ChEBML_79057	Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioligand
50035162	2	ChEMBL_199698 (CHEMBL882849)	In vitro inhibitory activity against binding of Selectin E to human recombinant AGP (alpha-1 acid glycoprotein) containing sLex derivative
50010567	7	ChEMBL_30507 (CHEMBL643087)	Inhibition of Akt (proto-oncogenic serine/threonine) kinase
50010573	3	ChEMBL_48348 (CHEMBL663337)	Inhibition of cathepsin K
50010573	2	ChEBML_216707	Inhibitory activity was evaluated against cathepsin K
50035164	2	ChEBML_143618	Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)
50035164	3	ChEMBL_143617 (CHEMBL751677)	Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)
50035164	1	ChEMBL_143618 (CHEMBL751678)	Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)
50010577	14	ChEMBL_80560 (CHEMBL694111)	Inhibitory concentration against TL3-resistant HIV(M461) mutant protease
50010577	3	ChEMBL_80554 (CHEMBL694597)	Inhibitory concentration against TL3-resistant HIV(L241) mutant protease
50010577	9	ChEMBL_80551 (CHEMBL694594)	Inhibitory concentration against drug-resistant HIV(G48V) mutant protease
50010577	11	ChEMBL_80550 (CHEMBL694593)	Inhibitory concentration against drug-resistant HIV(G48V) mutant
50010577	15	ChEMBL_159630 (CHEMBL763422)	Inhibitory concentration against human immunodeficiency virus (HIV) protease
50010577	17	ChEMBL_80559 (CHEMBL694110)	Inhibitory concentration against TL3-resistant HIV(M461) mutant
50010577	1	ChEMBL_80568 (CHEMBL694119)	Inhibitory concentration against drug-resistant HIV(V82F) mutant
50010577	5	ChEMBL_80427 (CHEMBL692911)	Inhibitory concentration against TL3-resistant HIV(F53L) mutant protease
50010577	16	ChEMBL_80569 (CHEMBL694120)	Inhibitory concentration against drug-resistant HIV(V82F) mutant protease
50010577	4	ChEMBL_80557 (CHEMBL694108)	Inhibitory concentration against TL3-resistant HIV(L63P) mutant protease
50010577	7	ChEMBL_80556 (CHEMBL694107)	Inhibitory concentration against TL3-resistant HIV(L63P) mutant
50010577	13	ChEMBL_80553 (CHEMBL694596)	Inhibitory concentration against TL3-resistant HIV(L241) mutant
50010577	18	ChEMBL_80565 (CHEMBL694116)	Inhibitory concentration against TL3-resistant HIV(V82A) mutant
50010577	12	ChEMBL_80562 (CHEMBL694113)	Inhibitory concentration against TL3-resistant HIV(V771) mutant
50010577	8	ChEMBL_80426 (CHEMBL692910)	Inhibitory concentration against TL3-resistant HIV(F53L) mutant
50010577	10	ChEMBL_80563 (CHEMBL694114)	Inhibitory concentration against TL3-resistant HIV(V771) mutant protease
50035166	2	ChEBML_59002	Binding affinity for dopamine D1-like receptor labelled with [3H]SCH-23390 in retina
50035166	3	ChEMBL_60677 (CHEMBL674048)	Binding affinity towards cloned human Dopamine receptor D4
50035169	3	ChEMBL_220434 (CHEMBL842599)	In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10 uM
50035169	5	ChEMBL_63638 (CHEMBL675349)	In vitro inhibitory activity against human neutrophil elastase (HNE)
50035169	2	ChEBML_63638	In vitro inhibitory activity against human neutrophil elastase (HNE)
50010590	2	ChEBML_143484	Inhibitory activity against hepatitis C virus (HCV) NS3 protease
50035170	4	ChEMBL_69912 (CHEMBL682262)	Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50035170	2	ChEMBL_69913 (CHEMBL682263)	Inhibitory concentration against Trypanosoma mexicana glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50035170	1	ChEMBL_69911 (CHEMBL682261)	Inhibitory concentration against Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50035170	8	ChEMBL_69909 (CHEMBL682259)	Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50035170	6	ChEMBL_69916 (CHEMBL877826)	Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50035170	7	ChEMBL_69910 (CHEMBL682260)	Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50010592	3	ChEBML_160300	Displacement phorbol 12,13-dibutyrate(PDBU) binding from recombinant Protein kinase C alpha
50035171	2	ChEMBL_105970 (CHEMBL715382)	Inhibitory activity against human Matrix metalloprotease-1
50035171	3	ChEBML_106599	Inhibitory activity against human Matrix metalloprotease-13
50035171	5	ChEMBL_104378 (CHEMBL715839)	Inhibitory activity against human Matrix metalloprotease-2
50011334	1	ChEMBL_210226 (CHEMBL816666)	Inhibitory activity against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)
50011334	4	ChEMBL_210227 (CHEMBL808432)	Inhibitory activity against telomerase (Compound released from underivatized resin
50011334	3	ChEBML_210225	Inhibitory activity against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)
50011334	2	ChEMBL_210225 (CHEMBL816665)	Inhibitory activity against telomerase (Compound released from DNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)
50011335	2	ChEMBL_200991 (CHEMBL801242)	Antagonistic activity towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes
50011335	1	ChEBML_200992	Inhibitory concentration towards binding of sst2 receptor using [125I]somatostatin as radioligand in Neuro2A cells
50035172	3	ChEBML_147151	Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand
50035172	5	ChEMBL_145282 (CHEMBL751218)	Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand
50035172	1	ChEBML_145282	Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand
50035172	2	ChEMBL_146510 (CHEMBL754619)	Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593
50035172	4	ChEBML_146519	Binding affinity towards Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593 as radioligand
50035172	6	ChEMBL_146519 (CHEMBL754627)	Binding affinity towards Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593 as radioligand
50035172	7	ChEMBL_147151 (CHEMBL758176)	Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand
50035173	4	ChEMBL_159544 (CHEMBL765660)	Binding affinity towards progesterone receptor was measured
50035173	1	ChEMBL_205989 (CHEMBL810918)	Inhibitory concentration against progesterone stimulated alkaline phosphatase activity in T47D human breast carcinoma cell line
50035173	2	ChEMBL_44525 (CHEMBL656175)	Inhibitory concentration against progesterone induced PRE-luciferase activity in CV-cells
50035173	3	ChEBML_44525	Inhibitory concentration against progesterone induced PRE-luciferase activity in CV-cells
50035177	11	ChEMBL_196042 (CHEMBL802219)	Binding affinity towards L100I mutant HIV-1 reverse transcriptase (as per ref 10 in the article)
50035177	9	ChEMBL_197270 (CHEMBL804185)	Effective concentration required against wild type HIV-1 reverse transcriptase
50035177	7	ChEMBL_197268 (CHEMBL804184)	Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 7 in the article)
50035177	4	ChEMBL_196043 (CHEMBL802220)	Binding affinity towards wild type HIV-1 reverse transcriptase (as per ref 10 in the article)
50035177	8	ChEMBL_197272 (CHEMBL802509)	Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 6 in the article)
50035177	13	ChEMBL_197265 (CHEMBL804181)	Effective concentration required against L100I mutant HIV-1 reverse transcriptase
50035177	3	ChEBML_197268	Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 7 in the article)
50035177	10	ChEMBL_197274 (CHEMBL804261)	Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 8 in the article)
50035177	6	ChEMBL_197269 (CHEMBL877731)	Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article)
50011350	1	ChEMBL_3346 (CHEMBL619046)	In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane
50011354	2	ChEBML_54534	Inhibition of DNA-dependent protein kinase (DNA-PK) of HeLa cell nuclear cell extract
50000836	1	ChEMBL_218061 (CHEMBL821473)	The compound was tested for inhibitory activity against aldose reductase from human placenta
50000836	2	ChEBML_218061	The compound was tested for inhibitory activity against aldose reductase from human placenta
50000836	3	ChEMBL_31794 (CHEMBL643119)	The compound was tested for inhibitory activity against Aldose reductase from human placenta
50011356	3	ChEMBL_87851 (CHEMBL701991)	In vitro inhibition of partially purified recombinant human Histone deacetylase 1
50011356	1	ChEMBL_205835 (CHEMBL810946)	Concentration of compound required for acetylation of histone-4 in human T24 cancer cells
50011356	2	ChEBML_205835	Concentration of compound required for acetylation of histone-4 in human T24 cancer cells
50011358	3	ChEMBL_138278 (CHEMBL744235)	Ability to displace [3H]oxotremorine from Muscarinic acetylcholine receptor M1 expressed in CHO cells.
50011358	1	ChEMBL_138277 (CHEMBL744234)	Ability to displace [3H]N-methylscopolamine from Muscarinic acetylcholine receptor M1 expressed in CHO cells.
50011358	2	ChEBML_138278	Ability to displace [3H]oxotremorine from Muscarinic acetylcholine receptor M1 expressed in CHO cells.
50011360	4	ChEMBL_59488 (CHEMBL670140)	In vitro ability to displace [3H]-spiperone from bovine cloned Dopamine receptor D2 stably expressed in CHO cells.
50011360	3	ChEBML_61463	In vitro ability to displace [3H]pramipexole from high affinity binding sites of bovine cloned D2 receptors stably expressed in CHO cells.
50011360	5	ChEMBL_61463 (CHEMBL671444)	In vitro ability to displace [3H]pramipexole from high affinity binding sites of bovine cloned D2 receptors stably expressed in CHO cells.
50000842	6	ChEMBL_145148 (CHEMBL755952)	Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]DAGO as the radioligand using competition binding assays.
50000842	2	ChEBML_145678	Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
50000842	1	ChEBML_147016	Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]DPDPE as the radioligand using competition binding assays.
50000842	5	ChEBML_145634	Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).
50000842	3	ChEBML_146989	Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)
50000842	4	ChEBML_145534	Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays.
50000842	7	ChEMBL_146989 (CHEMBL758065)	Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)
50000843	1	ChEBML_196404	Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).
50011361	1	ChEBML_152976	Inhibition of PKCalpha kinase
50011361	6	ChEBML_221157	Inhibition of p38 alpha kinase
50035178	3	ChEBML_147336	Displacement of [3H]DADLE from Opioid receptor delta 1
50011389	2	ChEBML_206502	Concentration required to inhibit the release of tumor necrosis factor -alpha (TNF-alpha) in THP-1 cellular assay.
50011389	5	ChEMBL_206502 (CHEMBL807832)	Concentration required to inhibit the release of tumor necrosis factor -alpha (TNF-alpha) in THP-1 cellular assay.
50011389	6	ChEMBL_212599 (CHEMBL813691)	Inhibitory concentration against Tumor necrosis factor alpha converting enzyme
50000847	2	ChEMBL_86895 (CHEMBL698405)	Evaluated for antagonistic activity at histamine H3 receptor in rat cerebral cortex and is represented as Ki.
50000847	1	ChEMBL_86764 (CHEMBL698664)	Evaluated for antagonistic activity at histamine H3 receptor in rat cerebral cortex and is represented as Ki
50000848	2	ChEBML_61425	Concentration inhibiting specific binding of [3H]haloperidol to Dopamine receptor D2 from rat striatal brain.
50000848	3	ChEMBL_61425 (CHEMBL671399)	Concentration inhibiting specific binding of [3H]haloperidol to Dopamine receptor D2 from rat striatal brain.
50000848	1	ChEMBL_58545 (CHEMBL667481)	Affinity for [3H]N-propylnorapomorphine (NPA) Dopamine receptor D2
50000851	2	ChEMBL_202309 (CHEMBL810770)	Binding affinity was determined towards serotonin uptake site in presence of [3H]paroxetine radioligand in rat hippocampal homogenate
50000851	3	ChEMBL_202308 (CHEMBL882267)	Binding affinity was determined towards serotonin uptake site in presence of [3H]paroxetine radioligand in rat brain cortical homogenate
50000852	1	ChEBML_58691	Binding affinity for Dopamine receptor D2 using [3H]spiperone in rat brain
50000852	3	ChEBML_58174	Binding affinity against Dopamine receptor D1 using [3H]-SCN 23390 in rat brain
50011394	7	ChEBML_27860	Inhibitory activity against activated protein C (APC)
50011395	1	ChEBML_48341	Inhibitory activity against Cathepsin K
50035181	9	ChEMBL_105530 (CHEMBL710933)	In vitro inhibition of Matrix metalloprotease-9.
50035181	4	ChEBML_212740	In vitro inhibition of TNF-alpha converting enzyme.
50035181	10	ChEMBL_212740 (CHEMBL816558)	In vitro inhibition of TNF-alpha converting enzyme.
50000853	1	ChEMBL_52879 (CHEMBL663682)	Inhibitory activity against Dihydroorotase (DHO) at pH 7.4 and 8.5
50000853	2	ChEBML_52879	Inhibitory activity against Dihydroorotase (DHO) at pH 7.4 and 8.5
50000854	1	ChEBML_89676	In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase
50000855	1	ChEMBL_61576 (CHEMBL675090)	In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal membranes
50000855	3	ChEMBL_61575 (CHEMBL675089)	In vitro inhibition of [3H]N-0437 binding to Dopamine receptor D2 in rat striatal membranes
50000855	2	ChEBML_61576	In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal membranes
50011402	2	ChEMBL_68417 (CHEMBL680333)	Inhibition of [3H]EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)
50011402	1	ChEBML_68417	Inhibition of [3H]EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)
50011467	2	ChEBML_62323	Ability to displace [3H]- beta-CIT from Dopamine transporter in rat striatal homogenate
50011467	1	ChEBML_201799	Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate
50011467	3	ChEBML_142968	Ability to displace [3H]- nisoxetin from Norepinephrine transporter in rat cerebral cortical homogenate
50011474	2	ChEMBL_195690 (CHEMBL800607)	The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase
50011474	4	ChEMBL_44283 (CHEMBL653877)	Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells
50011474	1	ChEMBL_195836 (CHEMBL799135)	The compound was evaluated for inhibition of HIV-1 wild types GluL38-Lys recombinant reverse transcriptase
50011476	5	ChEBML_39507	Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radioligand
50011477	9	ChEMBL_39508 (CHEMBL654653)	Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radioligand
50011477	8	ChEBML_39508	Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radioligand
50011479	4	ChEMBL_154353 (CHEMBL759115)	Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay
50011479	5	ChEBML_153542	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay
50011479	6	ChEBML_154185	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.
50011479	7	ChEMBL_154185 (CHEMBL761655)	Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by functional assay.
50011479	2	ChEMBL_154030 (CHEMBL759300)	Binding affinity to bind to human Peroxisome proliferator activated receptor delta using scintillation proximity assay
50011479	3	ChEMBL_153542 (CHEMBL766083)	Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay
50011483	1	ChEBML_223912	Concentration required for inhibitory activity against human sorbitol dehydrogenase (SDH)
50011485	2	ChEBML_160894	Inhibitory activity against HRV 3Cpro using HPLC assay
50011492	1	ChEBML_88617	Inhibition of human immunodeficiency virus - 1 (HIV-1) integrase
50035187	7	ChEMBL_106032 (CHEMBL718204)	Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamate receptor 2
50035187	2	ChEMBL_106053 (CHEMBL718219)	Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamate receptor 2
50010597	6	ChEBML_105358	Inhibition of Matrix metalloprotease-9
50010600	5	ChEBML_49026	In vitro inhibitory activity against human recombinant Cell division cycle 25B
50010600	6	ChEMBL_48703 (CHEMBL659778)	Inhibitory activity against human recombinant Cdc25B phosphatase enzyme
50035189	2	ChEBML_143235	In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined
50035189	12	ChEMBL_143235 (CHEMBL752378)	In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined
50035189	10	ChEMBL_143884 (CHEMBL751867)	In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined
50000861	1	ChEBML_62260	Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radioligand
50035189	11	ChEMBL_143098 (CHEMBL749348)	In vitro Binding affinity towards alpha-1-beta-1-gamma delta nAChR was determined
50000861	3	ChEBML_58644	Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radioligand
50035189	9	ChEMBL_143099 (CHEMBL749349)	In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined
50035189	13	ChEMBL_144033 (CHEMBL750448)	In vitro Binding affinity towards alpha-7 nAChR was determined
50035189	1	ChEBML_217791	Effective concentration that causes inhibition of alpha-7 nAChR, was determined. Values are expressed as EC50 +/- SEM.
50010603	4	ChEMBL_145890 (CHEMBL754256)	Inhibitory activity against Opioid receptor delta 1 of (endomorphin 2) in mouse vas deferens was determined
50010602	3	ChEBML_147344	Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays
50000863	2	ChEBML_146866	Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenate using [3H]- DPDPE as radioligand
50000863	5	ChEBML_146979	Binding affinity against Opioid receptor mu 1 in guinea pig brain homogenate using [3H]- PL-17 as radioligand
50010602	1	ChEBML_149328	Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays
50010603	5	ChEBML_148999	Binding affinity was determined towards Opioid receptor mu 1 in rat brain synaptosomes using [3H]DAMGO as radioligand.
50010603	1	ChEBML_146992	In vitro inhibitory activity was determined against Opioid receptor mu 1 in guinea pig ileum
50010608	8	ChEMBL_144673 (CHEMBL750632)	Inhibition of hepatitis c virus Non structural protein 3 protease/Non structural protein 4A protease
50010603	3	ChEBML_147044	Binding affinity was determined towards Opioid receptor delta 1 in rat brain synaptosomes using [3H]deltorphin II as radioligand.
50010603	2	ChEBML_145890	Inhibitory activity against Opioid receptor delta 1 of (endomorphin 2) in mouse vas deferens was determined
50000863	1	ChEBML_145800	Binding affinity against Opioid receptor kappa 1 in guinea pig brain homogenate using [3H]- U-69593 as radioligand
50010608	7	ChEMBL_212560 (CHEMBL814763)	Compound was tested for inhibition of trypsin
50010614	4	ChEBML_38307	Binding affinity to the human beta-2 adrenergic receptor assayed using [125I]iodocyanopindolol as radioligand in CHO cells
50010614	3	ChEBML_37246	Binding affinity towards human Beta-1 adrenergic receptor
50000866	1	ChEBML_61757	The affinity for the Dopamine receptor D2 was assessed by the inhibition of [3H]-spiperone binding in rat striatal membranes in vitro.
50010616	1	ChEBML_52575	Inhibition of 1,3-beta-D-glucan synthase (GS) from candida albicans
50041040	9	ChEMBL_2215 (CHEMBL617161)	Compound was tested for binding affinity against 5-hydroxytryptamine 2 receptor
50010643	6	ChEMBL_140625 (CHEMBL752870)	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutations in RT (reverse transcriptase)
50010643	7	ChEMBL_140627 (CHEMBL752872)	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse transcriptase)
50010643	2	ChEMBL_140631 (CHEMBL752876)	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse transcriptase)
50010646	4	ChEBML_70196	Inhibition of human geranylgeranyltransferase-1
50010647	4	ChEMBL_223471 (CHEMBL844881)	Competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to ATP
50010647	5	ChEMBL_223472 (CHEMBL844882)	Non-competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to proline
50010600	8	ChEMBL_48701 (CHEMBL659776)	In vitro inhibitory activity against human recombinant Cdc25B phosphatase enzyme
50035191	3	ChEMBL_143976 (CHEMBL752430)	Neuronal sodium channel blocking activity by [14C]guanidinium flux assay
50010643	5	ChEBML_140627	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse transcriptase)
50010643	4	ChEBML_140627	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse transcriptase)
50010643	3	ChEMBL_140630 (CHEMBL752875)	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutations in RT (reverse transcriptase)
50010611	5	ChEMBL_3756 (CHEMBL620756)	In vitro binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor using [3H]5-HT as radioligand
50010611	6	ChEMBL_61456 (CHEMBL670883)	In vitro binding affinity towards cloned human Dopamine receptor D2A using [3H]- Raclopride as radioligand.
50010611	7	ChEMBL_948 (CHEMBL616127)	In vitro binding affinity towards cloned human 5-hydroxytryptamine 1A receptor expressed in Chinese hamster ovary (CHO) cells using [3H]8-OH-DPAT as radioligand
50010643	1	ChEMBL_140629 (CHEMBL752874)	Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in reverse transcriptase
50010647	1	ChEBML_223472	Non-competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to proline
50010652	1	ChEBML_159268	Inhibitory activity against Prostaglandin G/H synthase 1 from rabbit renal microsomes
50010652	3	ChEBML_157995	Inhibitory activity against Prostaglandin G/H synthase 2 from sheep placental cotyledons
50010652	2	ChEMBL_159267 (CHEMBL764253)	Inhibitory activity against COX-1 from rabbit renal microsomes
50010706	4	ChEBML_195195	Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha
50010706	8	ChEBML_195651	Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor beta
50010706	5	ChEMBL_196172 (CHEMBL804945)	Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor gamma
50010706	6	ChEMBL_195314 (CHEMBL799869)	Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor alpha
50010706	10	ChEMBL_195324 (CHEMBL799719)	Binding affinity towards retinoic acid receptor alpha was determined using [3H]ATRA (5 nM) as radioligand
50010706	9	ChEBML_196324	Binding affinity towards retinoic acid receptor gamma was determined using [3H]ATRA (5 nM) as radioligand
50010706	3	ChEMBL_195195 (CHEMBL798385)	Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor alpha
50010706	1	ChEMBL_196316 (CHEMBL806259)	Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor gamma
50010706	7	ChEMBL_195651 (CHEMBL796046)	Ability to inhibit TTNPB-induced transactivation at retinoic acid receptor beta
50010706	2	ChEMBL_195813 (CHEMBL807724)	Binding affinity towards retinoic acid receptor beta was determined using [3H]ATRA (5 nM) as radioligand
50010706	11	ChEMBL_196324 (CHEMBL806267)	Binding affinity towards retinoic acid receptor gamma was determined using [3H]ATRA (5 nM) as radioligand
50010706	12	ChEMBL_195805 (CHEMBL807717)	Antagonist activity of TTNPB (10 nM) function at retinoic acid receptor beta
50010722	5	ChEMBL_221659 (CHEMBL823236)	Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts
50010722	1	ChEMBL_221657 (CHEMBL823234)	Inhibition of p60 c-Src tyrosine kinase activity
50010722	7	ChEMBL_226186 (CHEMBL846552)	Inhibition of v-Abl tyrosine kinase activity
50010723	8	ChEMBL_67046 (CHEMBL677884)	Inhibition of autophosphorylation of epidermal growth factor receptor (EGF-R) in a cellular assay
50010723	3	ChEBML_67041	Inhibition of epidermal growth factor receptor (EGF-R)
50010723	10	ChEMBL_226170 (CHEMBL847899)	Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay
50010723	1	ChEMBL_67041 (CHEMBL677879)	Inhibition of epidermal growth factor receptor (EGF-R)
50035202	22	ChEMBL_70304 (CHEMBL677851)	Concentration required for the inhibitory activity against human Farnesyltransferase
50010734	6	ChEBML_50454	Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein
50010734	5	ChEMBL_50455 (CHEMBL657325)	Inhibition of DNA dependent protein kinase with hsp90 alpha protein
50010734	3	ChEMBL_50454 (CHEMBL662174)	Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein
50010737	2	ChEMBL_199861 (CHEMBL804925)	Inhibitory concentration against Selectin E in a static cell free ligand binding assay under equilibrium conditions.
50035205	1	ChEBML_146664	Binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand from guinea pig
50035205	2	ChEBML_145297	Binding affinity to Opioid receptor mu 1 by using [3H]DAMGO as a radioligand from guinea pig
50035205	3	ChEBML_147168	Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig
50035205	5	ChEMBL_146665 (CHEMBL755868)	Evaluated for the binding affinity to Opioid receptor kappa 1 by using [3H]U-69593 as a radioligand in guinea pig
50035205	4	ChEMBL_145298 (CHEMBL752678)	Evaluated for the binding affinity to Opioid receptor mu 1 by using [3H]-DAMGO as a radioligand in guinea pig
50010803	2	ChEBML_51079	Inhibitory concentration against nitric oxide synthesis in intact DLD-1 cells
50010803	3	ChEMBL_51079 (CHEMBL664045)	Inhibitory concentration against nitric oxide synthesis in intact DLD-1 cells
50010803	5	ChEMBL_51067 (CHEMBL665579)	Ability to inhibit conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by inducible NOS (i NOS) from human DLD-1 cells
50010811	2	ChEBML_158933	In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood assay
50010811	3	ChEBML_159927	In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood assay
50010821	5	ChEBML_215995	Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha
50010824	4	ChEBML_71657	Inhibition of Gelatinase B, matrix metalloprotease-9
50010825	3	ChEMBL_96794 (CHEMBL703271)	Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) by 50% in absence of serum
50010827	8	ChEMBL_38256 (CHEMBL646900)	Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor
50010827	4	ChEMBL_38136 (CHEMBL650091)	Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor
50010827	5	ChEBML_38136	Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor
50035210	2	ChEBML_225195	Inhibition of human sst4 receptor expressed in CHO cells
50035210	5	ChEBML_225193	Inhibition of human sst2 receptor expressed in CHO cells
50035210	1	ChEBML_225196	Inhibition of human sst5 receptor expressed in CHO cells
50035210	4	ChEBML_225192	Inhibition of human sst1 receptor expressed in CHO cells
50035210	3	ChEBML_225194	Inhibition of human sst3 receptor expressed in CHO cells
50035211	2	ChEBML_199849	Concentration required to inhibit the interaction of Selectin E and HL-60 cells
50035211	1	ChEBML_200025	Concentration required to inhibit the interaction of Selectin P and HL-60 cells
50035212	4	ChEMBL_216233 (CHEMBL823866)	Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 100 nM with cocaine
50035212	7	ChEMBL_216235 (CHEMBL823868)	Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 300 nM with cocaine
50035212	5	ChEMBL_216234 (CHEMBL823867)	Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake at a concentration of 30 nM with cocaine
50035212	8	ChEMBL_143123 (CHEMBL748005)	Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined
50035212	9	ChEMBL_216232 (CHEMBL823865)	Functional cocaine antagonism was evaluated by inhibition of [3H]dopamine reuptake
50035213	18	ChEMBL_32724 (CHEMBL645996)	Binding affinity towards rat Alpha-1D adrenergic receptor
50035213	17	ChEMBL_782 (CHEMBL615487)	Ancillary Binding affinity towards rat 5-hydroxytryptamine 1 receptor
50035213	19	ChEMBL_34026 (CHEMBL646015)	Binding affinity towards rat Alpha-1A adrenergic receptor
50035214	2	ChEMBL_79479 (CHEMBL691409)	Tested for the ability to bind the HIV-1 RRE-RNA construct by fluorescence anisotropy
50010850	12	ChEMBL_37424 (CHEMBL650041)	Inhibitory concentration of compound against Beta-glucosidase from Almond
50010869	7	ChEMBL_153613 (CHEMBL759725)	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain
50010869	8	ChEMBL_154191 (CHEMBL762740)	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain
50010866	3	ChEBML_105529	Inhibition of Matrix metalloprotease-9
50010869	9	ChEMBL_153391 (CHEMBL760611)	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain
50048517	1	ChEMBL_138827 (CHEMBL752409)	Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.
50035216	3	ChEMBL_143559 (CHEMBL755331)	Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes
50011530	3	ChEBML_105370	Binding affinity for human gelatinase B (MMP-9)
50041042	3	ChEMBL_90003 (CHEMBL701676)	Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay
50041042	4	ChEMBL_217807 (CHEMBL823263)	Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin
50041043	4	ChEMBL_217811 (CHEMBL821718)	Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin
50041043	3	ChEMBL_32655 (CHEMBL642823)	Inhibition of high affinity radioligand binding to human alphaV-beta3 integrin
50035218	6	ChEMBL_160850 (CHEMBL771785)	In vitro inhibition of human thrombin catalytic activity after 3 min pre incubation.
50035218	2	ChEMBL_160974 (CHEMBL766455)	In vitro reversible inhibition of thrombin catalytic activity
50035218	5	ChEMBL_207973 (CHEMBL815800)	In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rat after 3 min incubation with compound
50035219	2	ChEMBL_208890 (CHEMBL814947)	Competitive kinetic for thrombin inhibition Ki was determined
50035219	4	ChEMBL_207982 (CHEMBL816473)	In vitro inhibitory activity against hydrolysis of thrombin was determined
50035219	1	ChEBML_207982	In vitro inhibitory activity against hydrolysis of thrombin was determined
50011522	1	ChEBML_158749	In vitro inhibitory activity towards human platelet recombinant Prostaglandin G/H synthase 1
50035224	2	ChEMBL_221513 (CHEMBL841496)	Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)
50041044	6	ChEMBL_217643 (CHEMBL818515)	Inhibitory activity against alphaV-beta3 integrin
50041044	5	ChEMBL_217953 (CHEMBL824072)	Selectivity against alphaV-beta3 integrin
50041044	4	ChEMBL_217952 (CHEMBL824071)	Selectivity against alphaV-beta3 integrin
50035227	1	ChEBML_90061	Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay
50035227	2	ChEMBL_155035 (CHEMBL765477)	Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion protein in Sf9 cells
50035227	3	ChEMBL_90061 (CHEMBL702088)	Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay
50012023	3	ChEMBL_201005 (CHEMBL801255)	In vitro inhibition against human recombinant sorbitol dehydrogenase
50012023	1	ChEBML_201005	In vitro inhibition against human recombinant sorbitol dehydrogenase
50042169	3	ChEMBL_213405 (CHEMBL815428)	Inhibition of I-VCAM-Ig binding to Very late antigen 4 (VLA-4)
50042169	4	ChEMBL_213406 (CHEMBL815429)	Inhibition of very late antigen-4 alpha4-beta1 (VLA-4), I-VCAM-Ig as radioligand
50000877	2	ChEBML_1114	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain
50000881	1	ChEBML_195750	Inhibition of human renin
50000888	2	ChEBML_54215	Compound was tested for its inhibitory activity on Recombinant Human Dihydrofolate Reductase.
50000888	1	ChEBML_68517	Compound was evaluated for the inhibition of Folyl-polyglutamate synthase in CCRF-CEM Human leukemia cell.
50012028	4	ChEMBL_69685 (CHEMBL682021)	Inhibitory activity against factor Xa, activity expressed as Ki nM
50035229	1	ChEBML_27825	Inhibitory constant against fetal bovine serum (FBS) acetylcholinesterase
50041045	1	ChEMBL_51850 (CHEMBL664073)	Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi
50000893	3	ChEMBL_163797 (CHEMBL772970)	The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells
50000893	2	ChEBML_163797	The concentration required to reduce by 50% the amount of LTB4 formed by RBL-1 cells
50000893	1	ChEBML_209772	Inhibition of horse thromboxane A2 synthase evaluated as molar concentration required to reduce thromboxane B2 formed after incubating PGH-2 with platelet microsomes.
50000893	4	ChEMBL_177938 (CHEMBL785009)	Reduction of lipid peroxide formed in rat brain homogenates.
50035230	2	ChEBML_45264	Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes
50035230	3	ChEMBL_45045 (CHEMBL658043)	Inhibitory activity against human recombinant carbonic anhydrase II (CA2)
50035230	1	ChEBML_47498	Inhibitory activity against human recombinant carbonic anhydrase I (CA1)
50012067	2	ChEBML_30634	AE maximal score at Adenosine A3 receptor
50012067	3	ChEMBL_28232 (CHEMBL638599)	AE maximal score at Adenosine A1 receptor
50012067	4	ChEBML_30285	AE maximal score at Adenosine A2A receptor
50020830	3	ChEMBL_444827 (CHEMBL895078)	Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells
50042170	3	ChEMBL_213385 (CHEMBL818043)	Inhibition of VLA-4 from HL60 lysate in a protein-based ligand binding assay.
50000904	1	ChEBML_80648	Inhibition of HMG-CoA reductase activity in partially purified rat liver
50000904	2	ChEMBL_80648 (CHEMBL691934)	Inhibition of HMG-CoA reductase activity in partially purified rat liver
50000906	1	ChEBML_177423	Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%
50000905	1	ChEBML_80647	Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.
50000906	2	ChEMBL_177423 (CHEMBL784402)	Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%
50035908	3	ChEBML_48263	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor
50035908	1	ChEBML_50177	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor
50000912	1	ChEBML_35216	Compound was tested for inhibitory activity against angiotensin I converting enzyme
50000914	2	ChEBML_47828	Compound was tested for its inhibitory activity in cortical cholecystokinin type B receptor in guinea pig
50000914	3	ChEMBL_49580 (CHEMBL661233)	Compound was tested for its inhibitory activity in pancreatic cholecystokinin type A receptor in guinea pig
50000914	1	ChEBML_49580	Compound was tested for its inhibitory activity in pancreatic cholecystokinin type A receptor in guinea pig
50000914	4	ChEMBL_47828 (CHEMBL662570)	Compound was tested for its inhibitory activity in cortical cholecystokinin type B receptor in guinea pig
50000917	4	ChEMBL_29295 (CHEMBL640356)	Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
50000917	6	ChEBML_29293	Inhibition of [3H]cyclohexyladenosine binding to guinea pig forebrain membranes Adenosine A1 receptor
50000917	5	ChEMBL_29294 (CHEMBL640355)	Inhibition of [3H]cyclohexyladenosine binding to guinea pig forebrain membranes adenosine A1 receptor
50042171	3	ChEMBL_213386 (CHEMBL818044)	Inhibition of very late antigen 4 from HL60 lysate in a protein-based ligand binding assay
50000918	1	ChEMBL_195748 (CHEMBL878548)	Compound was evaluated for the inhibitory concentration against purified human renal renin at pH 6.5
50000918	3	ChEMBL_195747 (CHEMBL801599)	Compound was evaluated for the inhibitory concentration against human plasma renin at pH 7.4
50000925	2	ChEBML_52872	Binding affinity against Dihydrofolate reductase
50000925	3	ChEMBL_209650 (CHEMBL811591)	Binding affinity against thymidylate synthase
50000925	1	ChEMBL_225606 (CHEMBL844163)	Binding affinity against thymidylate synthase
50000925	4	ChEBML_225606	Binding affinity against thymidylate synthase
50012085	1	ChEBML_92367	Inhibitory activity against kallikrein
50012085	10	ChEMBL_155081 (CHEMBL765082)	Inhibitory activity against plasmin
50012085	9	ChEBML_155081	Inhibitory activity against plasmin
50012085	11	ChEMBL_69669 (CHEMBL682007)	Tested for inhibitory activity against Coagulation factor Xa (trypsin-like serine protease) of the compound
50012085	12	ChEMBL_49164 (CHEMBL663263)	Inhibitory activity against coagulation factor Xa
50000941	3	ChEMBL_72913 (CHEMBL684727)	Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Lactobacillus casei cells.
50000941	2	ChEBML_209102	Compound was evaluated for the ability to inhibit thymidylate synthase from Lactobacillus casei cells.
50000941	5	ChEMBL_209476 (CHEMBL872636)	Compound was evaluated for the ability to inhibit thymidylate synthase from Manca cells.
50000941	6	ChEMBL_72914 (CHEMBL684728)	Compound was evaluated for the ability to inhibit Glycinamide ribonucleotide formyltransferase from Manca cells.
50012086	7	ChEBML_92387	Tested in vitro for the inhibitory activity against kallikrein
50012086	8	ChEBML_27861	Tested in vitro for the inhibitory activity against activated protein C (APC)
50012092	4	ChEBML_88868	Inhibition of insulin receptor kinase (Inactive at 1 mM ATP)
50012116	2	ChEBML_158978	Tested in vitro for its binding affinity against Protease
50012122	2	ChEBML_205739	Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1
50012122	3	ChEMBL_205739 (CHEMBL812171)	Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1
50012125	6	ChEBML_143831	Tested for radioligand binding affinity against membranes from COS-7 cells transiently transfected with Neuropeptide Y receptor type 1
50035235	2	ChEBML_62645	Tested for the ability to displace [3H]WIN-35 428 binding to dopamine transporter (DAT) in rat striatal tissue
50035235	5	ChEMBL_62645 (CHEMBL676690)	Tested for the ability to displace [3H]WIN-35 428 binding to dopamine transporter (DAT) in rat striatal tissue
50012129	2	ChEBML_41925	In vitro C-C chemokine receptor type 3 activity of compound by using eotaxin induced human eosinophil chemotaxis assay
50012129	3	ChEMBL_39477 (CHEMBL653052)	In vitro C-C chemokine receptor type 3 receptor activity of compound to inhibit eotaxin induced [Ca2+] mobilization in human eosinophil chemotaxis assay
50012129	1	ChEMBL_41925 (CHEMBL650507)	In vitro C-C chemokine receptor type 3 activity of compound by using eotaxin induced human eosinophil chemotaxis assay
50000944	1	ChEBML_195778	Inhibition of human plasma renin.
50012129	4	ChEMBL_39478 (CHEMBL650419)	In vitro inhibition if C-C chemokine receptor type 3 (CCR3) using 150p M [125I]-labeled human eotaxin
50035236	7	ChEMBL_60050 (CHEMBL671365)	Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells
50035236	1	ChEBML_60194	Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1
50035236	4	ChEBML_62105	Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells
50035236	9	ChEMBL_61006 (CHEMBL675197)	Effective concentration of compound required against human Dopamine D4.2 receptor
50035236	3	ChEMBL_63099 (CHEMBL674492)	Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells
50035236	10	ChEMBL_60048 (CHEMBL671363)	Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells
50035236	2	ChEBML_60050	Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells
50035236	8	ChEBML_1068	Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor
50035236	5	ChEBML_2547	Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor
50035236	6	ChEBML_61006	Effective concentration of compound required against human Dopamine D4.2 receptor
50012189	3	ChEBML_144469	In vitro inhibition of Neutral endopeptidase.
50012193	21	ChEMBL_69834 (CHEMBL679583)	Inhibition of Farnesyl protein transferase radiolabel [1-3H] incorporation
50012193	1	ChEBML_69836	The concentration required to displace 50% of a highly potent radiolabeled FPTase inhibitor
50012197	5	ChEMBL_48969 (CHEMBL663499)	Concentration required for inhibition of Coagulation factor X
50012197	3	ChEMBL_48991 (CHEMBL872478)	Binding affinity towards Coagulation factor X
50012197	4	ChEBML_48969	Concentration required for inhibition of Coagulation factor X
50012198	3	ChEBML_205391	inhibition of [3H]Sar-SP binding to Tachykinin receptor 1 of bovine retina membranes
50012198	1	ChEBML_209019	Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO cells expressing human recombinant Tachykinin receptor 2
50012198	2	ChEMBL_209019 (CHEMBL815540)	Binding affinity was determined by measuring the inhibition of 125 I-NKA binding to transfected CHO cells expressing human recombinant Tachykinin receptor 2
50012205	2	ChEMBL_159398 (CHEMBL763452)	In vivo inhibition of ram seminal vesicle Prostaglandin G/H synthase 1 activity by determining PGE-2 by RIA
50012205	1	ChEBML_159398	In vivo inhibition of ram seminal vesicle Prostaglandin G/H synthase 1 activity by determining PGE-2 by RIA
50035239	7	ChEMBL_209384 (CHEMBL811317)	In vitro binding to Tachykinin receptor 2
50035239	1	ChEBML_209384	In vitro binding to Tachykinin receptor 2
50035239	8	ChEMBL_208822 (CHEMBL814790)	In vitro binding to Tachykinin receptor 1
50012569	3	ChEMBL_70467 (CHEMBL676958)	24% inhibition of FGF-2 binding to heparin-albumin by ELISA
50012569	4	ChEMBL_70468 (CHEMBL676959)	25% inhibition of FGF-2 binding to heparin-albumin by ELISA
50012569	1	ChEBML_70466	23% inhibition of FGF-2 binding to heparin-albumin by ELISA
50012569	2	ChEMBL_70466 (CHEMBL676957)	23% inhibition of FGF-2 binding to heparin-albumin by ELISA
50011686	3	ChEMBL_72876 (CHEMBL878575)	Inhibitory concentration against binding to the human glucagon receptor (hGR)
50042178	4	ChEMBL_33755 (CHEMBL650229)	Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PLC pathway
50042178	6	ChEMBL_34475 (CHEMBL651230)	Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PLC pathway
50042178	5	ChEMBL_32574 (CHEMBL643412)	Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC pathway
50035239	2	ChEBML_208822	In vitro binding to Tachykinin receptor 1
50012219	2	ChEBML_71597	Compound was evaluated in cloned rat Gonadotropin-releasing hormone receptor assay for its ability to displace the binding of [125 I-Tyr, DLeu, NMeLeu, Pro-NEt]GnRH agonist
50012222	1	ChEBML_71659	Inhibitory concentration was determined against murine gelatinase B
50035241	1	ChEMBL_90578 (CHEMBL701162)	Compound was tested for the inhibition HIV integrase strand transfer activity
50035241	3	ChEMBL_90577 (CHEMBL701161)	Compound was tested for the inhibition HIV integrase 3'-processing activity
50035242	2	ChEBML_542	Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)
50035242	1	ChEMBL_550 (CHEMBL615570)	Concentration required to achieve 50% inhibition against 4-hydroxyphenylpyruvate dioxygenase from pig liver
50035242	5	ChEMBL_541 (CHEMBL857062)	Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver
50035242	4	ChEMBL_551 (CHEMBL615571)	Concentration required to achieve 50% inhibition against 4-hydroxyphenylpyruvate dioxygenase from pig liver; (observed value)
50035242	3	ChEMBL_542 (CHEMBL615562)	Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)
50012258	5	ChEMBL_64984 (CHEMBL675569)	Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells
50000960	1	ChEBML_210731	Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bovine thymus) in vitro.
50012258	6	ChEMBL_89187 (CHEMBL700505)	Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells
50035243	5	ChEMBL_157364 (CHEMBL762040)	Inhibition of Phosphodiesterase 4 from rat liver
50012264	21	ChEMBL_39383 (CHEMBL659241)	Inhibition constant (Competitive) against Beta-galactosidase from Aspergillus niger was tested at a dose of 1 mM
50012264	14	ChEMBL_33946 (CHEMBL649572)	Inhibitor concentration against alpha-L-Fucosidase from Bovine epididymis
50012264	23	ChEMBL_39385 (CHEMBL659243)	Inhibition constant(Non competitive) of compound against Beta-galactosidase from Aspergillus niger
50012264	24	ChEMBL_33960 (CHEMBL649585)	Inhibition constant (Competitive) against alpha-l-Fucosidase from Bovine epididymis
50012264	3	ChEMBL_37139 (CHEMBL650373)	Inhibition constant (Competitive) against Beta-galactosidase from Escherichia coli
50012264	18	ChEMBL_33972 (CHEMBL649595)	Inhibitor concentration against alpha-L-Fucosidase from Human placenta
50012264	2	ChEMBL_34088 (CHEMBL647980)	Inhibition constant (Competitive) against alpha-l-Fucosidase from Human placenta
50012264	15	ChEMBL_39371 (CHEMBL653246)	Inhibitor concentration against Beta-galactosidase from Aspergillus niger
50012264	7	ChEMBL_37281 (CHEMBL656030)	Inhibitor concentration against Beta-galactosidase from Bovine liver
50012264	26	ChEMBL_33947 (CHEMBL649573)	Inhibitor concentration against alpha-L-Fucosidase from Bovine epididymis was tested
50012264	6	ChEMBL_37116 (CHEMBL653448)	Inhibition constant against beta-Galactosidase from Aspergillus oryzae; Mixed (Non competitive and competitive)
50012264	27	ChEMBL_39372 (CHEMBL653247)	Inhibitor concentration against Beta-galactosidase from Aspergillus niger was tested at a dose of 1 mM
50012264	9	ChEMBL_37293 (CHEMBL655205)	Inhibition constant against Beta-galactosidase from Bovine liver; Mixed(Competitive and Non Competitive)
50012264	12	ChEMBL_37146 (CHEMBL650379)	Inhibitor concentration of compound against beta-Galactosidase from Jack beans
50012264	13	ChEMBL_39390 (CHEMBL659248)	Inhibitor concentration against Beta-galactosidase from Aspergillus oryzae
50012264	8	ChEMBL_37115 (CHEMBL653447)	Inhibition constant against Beta-galactosidase from Aspergillus oryzae; Mixed (both competitive and non-competitive)
50012264	25	ChEMBL_39391 (CHEMBL659249)	Inhibitor concentration against Beta-galactosidase from Aspergillus oryzae was tested at a dose of 1 mM
50012272	29	ChEMBL_58451 (CHEMBL671648)	Effective concentration required for agonistic activity against rat D2 long receptor
50012272	12	ChEMBL_62136 (CHEMBL675893)	Binding affinity of compound measured using [3H]-spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 25/1600)
50012272	26	ChEBML_58638	Effective concentration required for agonistic activity against rat D2 short receptor
50012272	18	ChEMBL_62135 (CHEMBL674525)	Binding affinity of compound measured using [3H]spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 16/16000)
50012272	1	ChEMBL_61483 (CHEMBL672385)	Binding affinity of compound measured using [3H]spiperone for the cloned human Dopamine receptor D2L (high/low affinity is given as 85/6400)
50012272	25	ChEMBL_58957 (CHEMBL872496)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D4.4 (high/low affinity is given as 8.5/130)
50012272	17	ChEMBL_61964 (CHEMBL884214)	Effective concentration required for agonistic activity against human Dopamine receptor D3
50012272	5	ChEBML_58949	Effective concentration required for agonistic activity against human D4.2 receptor
50012272	23	ChEMBL_58634 (CHEMBL665384)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 40/3600)
50012272	16	ChEMBL_61963 (CHEMBL670421)	Effective concentration required for agonistic activity against human D3 receptor
50012272	14	ChEMBL_58632 (CHEMBL665382)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 130/50000)
50012272	8	ChEMBL_58317 (CHEMBL671175)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 long (high/low affinity is given as 230/53000)
50012272	30	ChEMBL_58949 (CHEMBL671263)	Effective concentration required for agonistic activity against human D4.2 receptor
50012272	31	ChEMBL_62134 (CHEMBL674524)	Binding affinity of compound measured using [3H]-spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 0.87/44)
50012272	27	ChEMBL_61786 (CHEMBL670540)	Effective concentration required for agonistic activity against rat Dopamine receptor D2L
50012272	28	ChEMBL_58956 (CHEMBL671270)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D4.4 (high/low affinity is given as 16/1300)
50012277	2	ChEMBL_47134 (CHEMBL653699)	Binding affinity against human CB2 receptor expressed in CHO cells by using WIN-55212-2 Mesylate [573H] as Radioactive tracer
50035246	1	ChEBML_105700	Agonist potency for human Melanocortin 1 receptor
50035246	2	ChEBML_106176	Agonist potency towards human Melanocortin 4 receptor
50012289	1	ChEBML_32968	Binding affinity for retinoic acid receptor RAR alpha
50012289	2	ChEBML_39045	Binding affinity for retinoic acid receptor RAR beta
50041047	4	ChEMBL_217801 (CHEMBL823257)	Inhibition of binding to human alpha V beta3
50041047	3	ChEMBL_217800 (CHEMBL823256)	Inhibition of binding to human alpha V beta3
50035247	1	ChEMBL_99591 (CHEMBL708318)	Dissociation constant for binding to MAGI-3 PDZ2 domain
50042172	4	ChEMBL_214491 (CHEMBL818391)	Inhibitory binding concentration against VCAM/VLA-4 in Ramos.
50042172	3	ChEMBL_214488 (CHEMBL819216)	Inhibitory binding concentration against VCAM/VLA-4 in ELISA.
50000975	2	ChEBML_50182	Inhibition of [3H]propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes
50000975	1	ChEBML_47674	Inhibition of [3H]-propanoyl binding to cholecystokinin type B receptor subtype was determined in bovine striatum membranes
50041048	4	ChEMBL_139886 (CHEMBL744473)	In vitro affinity for muscarinic M2 receptor.
50041048	5	ChEMBL_138828 (CHEMBL752410)	In vitro affinity for muscarinic M3 receptor.
50012334	1	ChEMBL_72744 (CHEMBL681931)	Inhibition constant was evaluated against enzyme Glutathionylspermidine Synthetase wild-type enzyme
50012334	3	ChEMBL_72740 (CHEMBL681927)	Inhibitory activity against amidase free Glutathionylspermidine Synthetase mutant (C79A)
50012335	4	ChEBML_65136	In vitro inhibition of endothelial nitric oxide synthase.
50012335	3	ChEBML_89498	In vitro inhibition of inducible nitric oxide synthase.
50012335	2	ChEBML_143217	Concentration required to inhibit neuronal nitric oxide synthase
50035248	2	ChEBML_70883	In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.
50035248	1	ChEMBL_28165 (CHEMBL644119)	In vitro inhibition of human recombinant AChE.
50035249	1	ChEMBL_28291 (CHEMBL644831)	Concentration required for the inhibition of acetylcholinesterase
50035249	3	ChEMBL_70887 (CHEMBL684545)	In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.
50035249	2	ChEBML_28291	Concentration required for the inhibition of acetylcholinesterase
50012340	5	ChEBML_158305	Binding affinity at human Prostanoid EP2 receptor.
50000982	1	ChEBML_56498	PAF-antagonist activity determined in dog platelets by PAF-binding assay
50000983	2	ChEMBL_158641 (CHEMBL763428)	In vitro concentration required to inhibit 50% activity of HIV protease was measured (exp 2)
50000983	1	ChEBML_158641	In vitro concentration required to inhibit 50% activity of HIV protease was measured (exp 2)
50000983	3	ChEMBL_158642 (CHEMBL763429)	In vitro binding affinity against HIV protease was measured
50000983	4	ChEMBL_158640 (CHEMBL763244)	In vitro concentration required to inhibit 50% activity of HIV protease was measured
50012341	2	ChEBML_155212	Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)
50012345	10	ChEMBL_156371 (CHEMBL761700)	Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated
50012345	3	ChEMBL_156370 (CHEMBL761699)	Inhibition of the Phospholipase A2 (Lp-PLA2) enzyme in whole human plasma
50012352	4	ChEMBL_87073 (CHEMBL700590)	In vitro binding affinity for Histamine H3 receptor
50012407	1	ChEMBL_72764 (CHEMBL879021)	Inhibitory constant against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata
50035250	1	ChEBML_208370	Compound was tested for binding affinity against Mycobacterium tuberculosis thymidine monophosphate kinase
50012407	3	ChEMBL_72761 (CHEMBL857382)	Tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata
50012409	1	ChEBML_70387	Affinity for GST- Src-SH2 domain in ELISA
50012409	2	ChEBML_70388	Affinity for GST-Fyn-SH2 domain in ELISA
50012409	3	ChEBML_70495	Affinity for GST-Lck-SH2 domain in ELISA
50012411	1	ChEBML_205717	Displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells
50012416	1	ChEBML_158750	In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determined
50012420	1	ChEMBL_72355 (CHEMBL686442)	Binding affinity for Growth factor receptor bound protein 2 SH2 domain
50012420	2	ChEBML_72485	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to p185erbB-2 receptor
50011575	1	ChEBML_65468	Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor
50011575	2	ChEBML_63530	Binding affinity towards human cloned endothelin B receptor by [125I]ET1 displacement.
50000992	1	ChEBML_209808	Growth inhibition of thymidylate synthase(TS) in L1210 cells
50000998	4	ChEMBL_50536 (CHEMBL661153)	In vitro inhibition of human placental Cytochrome P450 19A aromatase
50000998	15	ChEMBL_84457 (CHEMBL692480)	In vitro inhibition of estrogen production in hamster ovarian tissue
50000998	7	ChEMBL_36056 (CHEMBL645587)	In vitro inhibition of cytochrome P450 19A1 Aromatase
50000998	1	ChEMBL_50698 (CHEMBL663243)	In vitro inhibition of human placental Cytochrome P450 19A1 aromatase
50000998	5	ChEMBL_84458 (CHEMBL692481)	In vitro inhibition of progesterone production in hamster ovarian tissue
50000998	2	ChEBML_84460	In vitro inhibition of progesterone production in hamster ovarian tissue
50000998	3	ChEMBL_84459 (CHEMBL692482)	In vitro inhibition of estrogen production in hamster ovarian tissue
50000998	11	ChEMBL_224979 (CHEMBL844572)	In vitro inhibition of aldosterone production in rat adrenal tissue
50001001	1	ChEBML_51027	Inhibition of human placental Cytochrome P450 19A1
50001011	1	ChEBML_28998	Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]cyclohexyladenosine (CHA).
50001011	3	ChEMBL_28991 (CHEMBL645015)	Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)
50011582	11	ChEBML_2312	Tested for binding affinity towards 5-hydroxytryptamine 2A receptor
50011582	9	ChEMBL_2315 (CHEMBL617522)	Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor
50011582	5	ChEMBL_2316 (CHEMBL617523)	Tested for binding affinity towards human 5-hydroxytryptamine 2A receptor using [3H]5-HT as radioligand
50011582	8	ChEMBL_2729 (CHEMBL617289)	Tested for binding affinity towards human 5-hydroxytryptamine 2C receptor using [3H]DOB as radioligand
50011582	13	ChEMBL_2313 (CHEMBL617520)	Displacement of [3H]DOB from human 5-hydroxytryptamine 2A receptor
50011582	3	ChEMBL_2730 (CHEMBL872917)	Tested for binding affinity towards human 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand
50011582	14	ChEMBL_2728 (CHEMBL617288)	Binding affinity towards human 5-hydroxytryptamine 2C receptor.
50011584	4	ChEMBL_145272 (CHEMBL883539)	Binding affinity for mu opioid receptor by displacing DAMGO was determined in [35S]GTP gamma-S binding assay
50011584	1	ChEBML_147141	Binding affinity for gamma-S binding assay
50011584	3	ChEBML_145273	Binding affinity for mu opioid receptor by displacing DAMGO was determined in [35S]-GTP gamma-S binding assay; Inactive
50011584	5	ChEBML_146500	Binding affinity for kappa opioid receptor by displacing U-69,593 was determined in [35S]GTP gamma-S binding assay
50011584	6	ChEMBL_146501 (CHEMBL754611)	Binding affinity for kappa opioid receptor by displacing U-69,593 was determined in [35S]-GTP gamma-S binding assay; Inactive
50011584	2	ChEMBL_147142 (CHEMBL754174)	Binding affinity for gamma-S binding assay; Inactive
50001013	2	ChEBML_154999	In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets.
50001013	1	ChEMBL_154998 (CHEMBL767102)	Compound tested in vitro for Platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets
50001014	1	ChEBML_54103	Inhibition of dihydrofolate reductase(DHFR) enzyme from human leukemic lymphoblasts.
50035251	13	ChEMBL_3159 (CHEMBL617804)	Binding affinity towards 5-HT3 receptor in rat was evaluated
50035251	2	ChEMBL_3261 (CHEMBL617870)	Binding affinity towards 5-hydroxytryptamine 4 receptor in striatum membranes of guinea-pig brain was evaluated
50035251	6	ChEMBL_3260 (CHEMBL882926)	Binding affinity towards 5-HT4 receptor in striatum membranes of guinea-pig brain was evaluated
50035251	12	ChEMBL_2975 (CHEMBL620622)	Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated
50035251	15	ChEMBL_58681 (CHEMBL670245)	Binding affinity towards D2 receptor in rat was evaluated
50035251	14	ChEMBL_3240 (CHEMBL618926)	Binding affinity towards 5-HT3 receptor in rat was evaluated
50035251	5	ChEMBL_58682 (CHEMBL670246)	Binding affinity towards Dopamine receptor D2 in rat was evaluated
50035251	8	ChEMBL_3277 (CHEMBL619078)	Binding affinity towards 5-HT4 receptor in striatum membranes of guinea-pig brain was evaluated
50035251	11	ChEMBL_62248 (CHEMBL675475)	Binding affinity towards D2 receptor in rat was evaluated
50011590	3	ChEBML_145327	Binding affinity towards Opioid receptor delta 1 by the displacement of [125I]-Deltorphin
50011590	8	ChEMBL_145327 (CHEMBL750415)	Binding affinity towards Opioid receptor delta 1 by the displacement of [125I]-Deltorphin
50011590	9	ChEMBL_145603 (CHEMBL749746)	Binding affinity towards Opioid receptor mu 1 by the displacement of [125I]Enkephalin; Not determined
50011590	7	ChEMBL_145108 (CHEMBL751992)	Binding affinity towards Opioid receptor kappa 1 by the displacement of [125I]-(D-Pro10)-Dynorphin A
50041050	4	ChEMBL_32966 (CHEMBL644681)	In vitro activity in an vitronectin receptor (alpha v beta3) scintillation bead assay using 125-I labelled echistatin as a radioligand
50001018	3	ChEBML_28	Inhibitory activity against 15-lipoxygenase in rat polymorphonuclear leukocytes
50001018	2	ChEBML_218	Inhibitory activity against 12-lipoxygenase in rat platelet rich plasma
50001018	1	ChEBML_4162	Inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes
50001019	5	ChEBML_48267	Inhibition of [125I]CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.
50001019	2	ChEMBL_47958 (CHEMBL656246)	Inhibition of [125I]-labeled CCK-8 sulfate binding to Cholecystokinin type B receptor in guinea pig brain membranes
50001019	7	ChEMBL_48267 (CHEMBL663172)	Inhibition of [125I]CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.
50001019	3	ChEBML_47958	Inhibition of [125I]-labeled CCK-8 sulfate binding to Cholecystokinin type B receptor in guinea pig brain membranes
50001019	4	ChEMBL_48266 (CHEMBL663171)	Inhibition of [125I]-labeled CCK-8 sulfate binding to CCK-B receptor in mouse brain membranes
50001019	6	ChEMBL_71519 (CHEMBL682556)	Inhibition of [125I]-labeled gastrin binding to gastrin receptor in guinea pig brain membranes
50001019	1	ChEMBL_47957 (CHEMBL656245)	Inhibition of [125I]-labeled CCK-8 sulfate binding to CCK-B receptor in guinea pig brain membranes
50001021	1	ChEBML_36494	In vitro inhibition of [125I]AII specific binding towards angiotensin II receptor in rat mesenteric membranes.
50001021	2	ChEMBL_36494 (CHEMBL652311)	In vitro inhibition of [125I]-AII specific binding towards angiotensin II receptor in rat mesenteric membranes.
50041050	6	ChEMBL_214645 (CHEMBL816330)	Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)
50001022	6	ChEBML_69892	Apparent affinity by displacement of preincubated [35S]TBPS from rat cortical homogenates at 60 nM
50001027	2	ChEBML_66896	Inhibition of Epidermal growth factor receptor autophosphorylation in A431 cell membranes
50041050	5	ChEMBL_214644 (CHEMBL816329)	Displacement of 125-I echistatin from Vitronectin receptor (alpha V beta 3)
50035252	2	ChEBML_146988	Concentration required for 50% inhibition of electrically induced contraction of the guinea pig ileum mediated through mu opioid receptor
50035254	1	ChEBML_155213	Inhibition of human Phosphodiesterase 5 from peripheral blood mononuclear cells
50041051	4	ChEBML_2739	Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand
50041051	15	ChEMBL_84540 (CHEMBL857171)	Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand
50041051	16	ChEMBL_2739 (CHEMBL617298)	Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand
50041051	17	ChEMBL_2508 (CHEMBL617395)	Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand
50035255	10	ChEMBL_70296 (CHEMBL679698)	In vitro inhibition of Farnesyltransferase
50035255	7	ChEMBL_69984 (CHEMBL682930)	In vitro inhibition of farnesyl-protein transferase
50035255	9	ChEMBL_71819 (CHEMBL683650)	In vitro inhibition of geranylgeranyl-protein transferase type-I
50035255	8	ChEMBL_71820 (CHEMBL683651)	In vitro inhibition of Geranylgeranyl transferase type I
50041053	3	ChEBML_202153	Binding affinity at serotonin transporter from rat cerebral cortex by [3H]-paroxetine displacement.
50001043	1	ChEMBL_51016 (CHEMBL663783)	Inhibition of binding to human Placental Cytochrome P450 19A1
50035256	3	ChEBML_37283	Inhibitory activity against Beta-galactosidase in bovine liver was determined
50035256	1	ChEBML_33957	Binding affinity against alpha-L-fucosidase in bovine kidney was determined
50035256	2	ChEMBL_33949 (CHEMBL649574)	Inhibition of bovine kidney alpha-L-fucosidase
50035257	4	ChEMBL_53195 (CHEMBL666574)	Inhibition of Dipeptidyl Peptidase IV
50035257	2	ChEBML_53193	In vitro inhibition of porcine Dipeptidylpeptidase II.
50035257	6	ChEMBL_53194 (CHEMBL666573)	In vitro inhibition of human Dipeptidylpeptidase IV.
50012448	2	ChEBML_214500	Inhibition of VEGF-receptor 2 (KDR)
50012448	1	ChEBML_225788	Inhibition of nerve growth factor receptor, trkA
50012448	3	ChEBML_104093	Inhibition of Myosin light chain kinase 1 (MLCK1)
50012454	2	ChEBML_105515	Concentration required in vitro to inhibit Matrix metalloprotease-9
50000537	5	ChEMBL_148399 (CHEMBL757107)	Binding affinity against Opioid receptor mu 1 using [3H]etorphine as a radioligand
50001054	1	ChEBML_209778	Inhibition of human Thymidylate synthase (Ki)
50001054	2	ChEBML_208949	Inhibition of Thymidylate synthase of Escherichia coli (Ki)
50035259	3	ChEBML_208729	Compound was tested for inhibitory activity against Thrombin
50012462	6	ChEMBL_217453 (CHEMBL823502)	Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay
50012462	5	ChEMBL_217621 (CHEMBL820364)	Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay
50012466	2	ChEMBL_31808 (CHEMBL642229)	Binding affinity for Adenosine A2A receptor in HEK cells
50012470	3	ChEMBL_38295 (CHEMBL647099)	In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-2 adrenergic receptor
50012470	5	ChEMBL_37254 (CHEMBL651575)	In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-1 adrenergic receptor
50012470	9	ChEMBL_38627 (CHEMBL650892)	Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor
50012470	4	ChEMBL_38294 (CHEMBL647098)	In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-2 Adrenoceptor
50012470	8	ChEMBL_38617 (CHEMBL650883)	Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor
50012471	4	ChEMBL_37244 (CHEMBL651565)	Beta-1 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta-1-adrenoceptor
50012471	3	ChEMBL_38618 (CHEMBL650884)	Binding affinity of compound against Beta-2 adrenergic receptor was determined
50012471	2	ChEMBL_38171 (CHEMBL650242)	Beta-2 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta-2-adrenoceptor
50012471	7	ChEMBL_38169 (CHEMBL650240)	Beta-2 adrenergic receptor agonist activity was determined by a measurement of increased cAMP levels in CHO cells expressing human Beta-2 adrenergic receptor
50012471	1	ChEMBL_37682 (CHEMBL647765)	Binding affinity of compound against Beta-1 adrenergic receptor was determined
50012472	10	ChEMBL_46675 (CHEMBL658633)	Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides
50012472	6	ChEMBL_46845 (CHEMBL657312)	Inhibitory concentration against caspase-7
50012472	1	ChEMBL_46860 (CHEMBL875689)	Inhibitory concentration against caspase-8
50012472	8	ChEMBL_46698 (CHEMBL658655)	Inhibitory concentration required against caspase-6
50012472	7	ChEMBL_46520 (CHEMBL659314)	Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides
50012476	1	ChEMBL_45562 (CHEMBL658581)	Affinity for human Cathepsin K
50012476	3	ChEMBL_158952 (CHEMBL767337)	Affinity for cysteine protease (Cruzipain) of Chagas' disease
50012478	1	ChEMBL_39511 (CHEMBL654808)	In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha.
50014064	25	ChEMBL_143411 (CHEMBL750054)	Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells
50035260	1	ChEMBL_155036 (CHEMBL765478)	Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins in Sf9 cells.
50001064	3	ChEBML_41599	Inhibition of [125I]C5a binding to C5a anaphylatoxin chemotactic receptor in PMNL membranes
50001064	4	ChEMBL_41594 (CHEMBL654887)	Compound was tested for the inhibition of [125I]C5a anaphylatoxin chemotactic receptor binding to PMNL membranes at a concentration of 0.1-1 mM
50001064	1	ChEMBL_41599 (CHEMBL650552)	Inhibition of [125I]C5a binding to C5a anaphylatoxin chemotactic receptor in PMNL membranes
50001064	2	ChEMBL_41597 (CHEMBL650550)	Compound was tested for the inhibition of [125I]C5a binding to C5a anaphylatoxin chemotactic receptor binding to PMNL membranes.
50001068	3	ChEMBL_206638 (CHEMBL810155)	Compound was evaluated for mitogenic inhibition against Swiss 3T3 murine fibroblast cells.
50001068	2	ChEMBL_206637 (CHEMBL810154)	Inhibition against Swiss 3T3 murine fibroblast cells.
50001068	1	ChEBML_206638	Compound was evaluated for mitogenic inhibition against Swiss 3T3 murine fibroblast cells.
50012508	2	ChEMBL_84426 (CHEMBL691614)	Binding affinity towards human Histamine H1 receptor (For compound 11)
50012508	6	ChEBML_87253	Binding affinity towards rats Histamine type 3 (H3) receptor
50012508	1	ChEMBL_85525 (CHEMBL697136)	Binding affinity towards human Histamine H2 receptor (For compound 11)
50012508	3	ChEBML_85525	Binding affinity towards human Histamine H2 receptor (For compound 11)
50012508	5	ChEBML_84425	Binding affinity to the human Histamine H1 receptor
50012508	4	ChEMBL_86755 (CHEMBL693565)	Binding affinity towards rat Histamine H3 receptor (For compound 11)
50035261	3	ChEMBL_143712 (CHEMBL756011)	Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes
50001072	1	ChEMBL_138963 (CHEMBL742775)	Compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to mmuscarinic acetylcholine receptor M3 of transfected rat A9L cells
50001072	9	ChEBML_139254	Inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M4 of NG108-15 cells.
50001072	10	ChEMBL_139082 (CHEMBL745818)	Inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M1 of transfected A9L cells.
50001072	2	ChEBML_138964	Inhibition of binding of [3H]N-methylscopolamine to muscarinic acetylcholine receptor M3 of transfected rat A9L cells.
50001072	8	ChEBML_138164	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M2 of rat heart tissue membranes
50001072	7	ChEMBL_138163 (CHEMBL748227)	Inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M2 of rat heart tissue membranes.
50001072	14	ChEMBL_139083 (CHEMBL745819)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M1 of transfected A9L cells.
50001072	11	ChEBML_139082	Inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M1 of transfected A9L cells.
50001072	13	ChEMBL_139084 (CHEMBL872657)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M1r of transfected A9L cells.
50001072	3	ChEMBL_138969 (CHEMBL872652)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M3 of transfected A9L cells.
50001072	4	ChEMBL_138165 (CHEMBL872664)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M2 of rat heart tissue membranes.
50001072	12	ChEMBL_139254 (CHEMBL745527)	Inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M4 of NG108-15 cells.
50001072	6	ChEMBL_138164 (CHEMBL748228)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M2 of rat heart tissue membranes
50001072	5	ChEMBL_138967 (CHEMBL742779)	The compound was tested for the inhibition of binding of [3H]N-Methyl-scopolamine to Muscarinic acetylcholine receptor M3 of transfected A9L cells.
50001075	5	ChEBML_3838	The compound was tested for the inhibition of 5-lipoxygenase (5-lo) in human whole blood (HWBL)
50001075	6	ChEMBL_4197 (CHEMBL619999)	In vitro inhibition of 5-lipoxygenase (5-lo) from the 20000 g supernatant of RBI-1 cells
50001075	4	ChEBML_4200	Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL
50001075	3	ChEMBL_4200 (CHEMBL620002)	Inhibition of 5-lipoxygenase (5-lo) in intact rat polymorphonuclear leukocyte RPMNL
50001075	1	ChEMBL_4199 (CHEMBL620001)	The compound was tested for the inhibition of 5-lipoxygenase (5-lo) in homogenized rat basophilic leukemia (RBL-1) cells
50001075	2	ChEMBL_4198 (CHEMBL620000)	The compound was tested for the in vitro inhibition of 5-lipoxygenase from the 20000 g supernatant of RBI-1 cells
50001077	2	ChEMBL_733 (CHEMBL615635)	Inhibition of arachidonate 5-lipoxygenase purified from porcine leukocytes.
50001077	1	ChEBML_3868	The compound was tested for the inhibition of Arachidonate 5-lipoxygenase purified from porcine leukocytes.
50001080	1	ChEBML_209810	In vitro inhibition against L1210 thymidylate synthase (TS)
50012514	1	ChEMBL_214854 (CHEMBL821469)	Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK293 cells
50012514	7	ChEBML_214854	Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK293 cells
50012514	3	ChEMBL_214535 (CHEMBL819372)	Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK293 cells
50012514	9	ChEMBL_214713 (CHEMBL815042)	Inhibition of [3H]Arg-vasopressin binding to recombinant human vasopressin V2 receptor
50012514	4	ChEBML_214535	Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK293 cells
50012514	5	ChEMBL_214533 (CHEMBL819370)	Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK293 cells
50012514	8	ChEMBL_214851 (CHEMBL824693)	Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK293 cells
50012514	6	ChEMBL_214407 (CHEMBL820272)	Inhibition of [3H]Arg-vasopressin binding to recombinant human vasopressin V1a receptor
50012516	3	ChEMBL_213256 (CHEMBL821464)	Inhibitory concentration against Type V Adenyl Cyclase enzyme
50012519	4	ChEMBL_60218 (CHEMBL872882)	Binding affinity towards human Dopamine receptor D2 was determined via standard competitive displacement assay using [3H]-YM 09151 as radioligand
50012519	11	ChEMBL_34578 (CHEMBL649340)	Binding affinity towards Alpha-1 adrenergic receptor via standard competitive displacement assay using rat brain homogenate with [3H]prazosin as radioligand
50012519	8	ChEBML_62966	Dopamine D4 receptor functional activity was assessed via inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.
50012525	2	ChEBML_147337	Binding affinity for Opioid receptor delta 1 was determined
50012525	3	ChEBML_149317	Binding affinity for Opioid receptor mu 1
50012526	4	ChEMBL_70525 (CHEMBL681082)	Effective concentration for retinoic acid receptor RAR gamma transcriptional activation
50012526	1	ChEMBL_32960 (CHEMBL644524)	Binding affinity fo retinoic acid receptor RAR alpha
50012526	5	ChEMBL_39041 (CHEMBL652855)	Binding affinity for retinoic acid receptor RAR beta
50012526	2	ChEBML_32961	Effective concentration for retinoic acid receptor RAR alpha transcriptional activation
50012526	7	ChEMBL_32961 (CHEMBL644525)	Effective concentration for retinoic acid receptor RAR alpha transcriptional activation
50012526	3	ChEBML_70524	Binding affinity for retinoic acid receptor RAR gamma
50012526	8	ChEMBL_70524 (CHEMBL681081)	Binding affinity for retinoic acid receptor RAR gamma
50012527	1	ChEBML_155712	Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined
50035262	5	ChEBML_148100	Binding affinity at human opioid receptor mu 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.12 nM
50035262	3	ChEBML_145476	Binding affinity at human opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.8 nM
50001087	1	ChEMBL_153978 (CHEMBL762330)	Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.
50001087	3	ChEMBL_154019 (CHEMBL857517)	Compound was measured for the apparent inhibition constant at pepsin
50035262	6	ChEMBL_145007 (CHEMBL756269)	Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes; Nd: no data
50035262	1	ChEBML_145007	Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes; Nd: no data
50035262	7	ChEMBL_145014 (CHEMBL756276)	Binding affinity at human ORL1 receptor was determined by using [125I]nociceptin radioligand in Chinese hamster ovary (CHO) cell membranes at a concentration of 23 pM
50035262	4	ChEMBL_145478 (CHEMBL753001)	Binding affinity at human Opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.8 nM
50012534	1	ChEMBL_29727 (CHEMBL646660)	Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes
50012531	1	ChEBML_212188	Concentration required for the inhibition of catalytic activity of bovine trypsin
50012533	1	ChEBML_147145	Binding affinity towards Opioid receptor delta 1 was determined using [d-Ser2, Leu5, Thr6] enkephalin (DSLET) as the radioligand.
50012533	3	ChEBML_148869	Binding affinity towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.
50001092	4	ChEBML_101001	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.
50001092	7	ChEMBL_101000 (CHEMBL707403)	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase
50001092	1	ChEMBL_3919 (CHEMBL619922)	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.
50001092	6	ChEMBL_101001 (CHEMBL707404)	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN 5-lipoxygenase.
50012533	2	ChEBML_145816	Binding affinity towards Opioid receptor kappa 1 was determined using U69,593 as the radioligand.
50012534	3	ChEMBL_29596 (CHEMBL640254)	Inhibitory concentration against [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cells
50012535	9	ChEMBL_34097 (CHEMBL649726)	Concentration required to inhibit Human alpha-thrombin was determined
50012535	4	ChEMBL_207968 (CHEMBL815795)	Concentration required to inhibit thrombin was determined
50012535	3	ChEBML_34097	Concentration required to inhibit Human alpha-thrombin was determined
50012536	1	ChEMBL_159821 (CHEMBL762476)	Inhibitory activity against human recombinant PARP-1
50012536	5	ChEMBL_159819 (CHEMBL762474)	Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay
50012536	4	ChEBML_159653	Concentration required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using cell protection assay
50012536	2	ChEMBL_159654 (CHEMBL761608)	Concentration required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using dose-response inhibition
50012536	3	ChEMBL_159653 (CHEMBL761607)	Concentration required to inhibit human recombinant Poly (ADP-ribose) polymerase 1 was determined using cell protection assay
50012539	3	ChEBML_143490	Inhibitory concentration against Hepatitis C virus NS3 protease
50012539	4	ChEMBL_143490 (CHEMBL755946)	Inhibitory concentration against Hepatitis C virus NS3 protease
50041056	3	ChEMBL_138349 (CHEMBL747778)	The compound was tested in vitro for binding activity against M2 muscarinic receptor in homogenates of the brainstem of rat using [3H]quinuclidinyl benzilate (QNB) as radioligand
50041056	2	ChEBML_138349	The compound was tested in vitro for binding activity against M2 muscarinic receptor in homogenates of the brainstem of rat using [3H]quinuclidinyl benzilate (QNB) as radioligand
50041056	4	ChEMBL_138348 (CHEMBL878551)	The compound was tested in vitro for binding activity against M1 muscarinic receptor in homogenates of the cerebral cortex of rat using [3H]pirenzepine as radioligand
50041056	1	ChEBML_138348	The compound was tested in vitro for binding activity against M1 muscarinic receptor in homogenates of the cerebral cortex of rat using [3H]pirenzepine as radioligand
50012574	6	ChEMBL_83649 (CHEMBL693109)	Binding affinity for human histamine H3 receptor
50012574	1	ChEBML_83649	Binding affinity for human histamine H3 receptor
50012574	2	ChEMBL_83648 (CHEMBL693108)	Compound was tested for its binding affinity against human histamine H3 receptor
50012575	1	ChEBML_158754	In vitro inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay
50012578	3	ChEMBL_71457 (CHEMBL685986)	Concentration required for the inhibition of I-125 labeled buserelin binding to the human Gonadotropin-releasing hormone receptor
50012578	2	ChEMBL_49074 (CHEMBL662304)	Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotropin Release Hormone receptor)
50012578	1	ChEBML_49074	Concentration required for the inhibition of phosphatidyl inositol hydrolysis in chinese hamster ovary cells expressing human GnRH receptor (Gonadotropin Release Hormone receptor)
50001094	1	ChEBML_196104	Inhibition of purified human renal renin at pH 6.
50012580	2	ChEMBL_65294 (CHEMBL676783)	Inhibitory activity against Endothelial nitric oxide synthase
50012580	3	ChEBML_143346	Inhibitory concentration against Neuronal nitric oxide synthase
50012610	2	ChEMBL_96943 (CHEMBL706183)	Inhibition of leukotriene A4 hydrolase in human recombinant assay
50012616	4	ChEMBL_72863 (CHEMBL683959)	Binding affinity of second enantiomer (E2) against human glucagon receptor was determined
50001097	2	ChEBML_3819	Inhibition of human neutrophil 5-lipoxygenase
50012616	5	ChEMBL_72862 (CHEMBL683958)	Binding affinity of second diastereomer (D2) against human glucagon receptor was determined
50012616	1	ChEMBL_72860 (CHEMBL683956)	Binding affinity of first enantiomer (E1) against human glucagon receptor was determined
50012616	2	ChEMBL_72859 (CHEMBL878574)	Binding affinity of first diastereomer (D1) against human glucagon receptor was determined
50035265	2	ChEMBL_162110 (CHEMBL767801)	Binding affinity towards protein-tyrosine phosphatase 1B (PTP1B)
50041058	2	ChEMBL_32648 (CHEMBL642143)	Inhibition of binding to human integrin receptor alpha V beta3
50012629	1	ChEMBL_159532 (CHEMBL767565)	Inhibition of 3 nM [3H]R5020 binding to progesterone receptor of human T47D cell cytosol
50012629	2	ChEBML_159532	Inhibition of 3 nM [3H]R5020 binding to progesterone receptor of human T47D cell cytosol
50012660	1	ChEMBL_42430 (CHEMBL659180)	Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha
50012660	3	ChEMBL_42432 (CHEMBL883269)	Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR gamma
50012660	5	ChEMBL_154362 (CHEMBL756624)	Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome proliferator activated receptor gamma containing residues
50012660	4	ChEBML_42430	Transactivation potency was measured by luciferase activity in Caco- 2/TC7 cells transiently co-transfected for the fusion-protein Gal4-PPAR alpha
50012660	2	ChEBML_154362	Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome proliferator activated receptor gamma containing residues
50012660	6	ChEMBL_153550 (CHEMBL766091)	Ligand binding affinity was determined by displacement of a tritiated tracer by the unlabeled compound to a GST-PPAR fusion protein for Peroxisome proliferator activated receptor alpha containing residues
50012672	6	ChEMBL_122448 (CHEMBL731137)	Inhibitory activity against Monoamine oxidase from Bovine brain mitochondria
50012673	5	ChEMBL_71752 (CHEMBL680274)	In vitro binding affinity towards rat gonadotropin-releasing hormone receptor
50035267	2	ChEMBL_62080 (CHEMBL672379)	Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperone (using ketanserin to exclude 5-HT2 receptor binding) in the presence of GTP and sodium
50035267	4	ChEBML_62080	Affinity of compound for Dopamine receptor D2 in rat striatal membrane determined for antagonist state (low affinity state, D2 Low) with [3H]spiperone (using ketanserin to exclude 5-HT2 receptor binding) in the presence of GTP and sodium
50035267	6	ChEMBL_61464 (CHEMBL671445)	Affinity of compound for D2 receptor in rat striatal membrane determined for agonist state (high affinity state, D2 High) [3H]quinpirole as radioligand (in the absence of GTP and sodium)
50011654	7	ChEMBL_50297 (CHEMBL660417)	Inhibition constant at a concentration of 5 uM on rat DNA polymerase beta as a function of nucleotide substrate concentration
50011654	1	ChEMBL_50296 (CHEMBL660416)	Inhibition constant at a concentration of 10 uM on rat DNA polymerase beta as a function of template primer dose
50011654	5	ChEMBL_50294 (CHEMBL660414)	Inhibitory effect on the activity of rat DNA polymerase beta was determined by inhibitory dose curves
50011654	6	ChEMBL_50295 (CHEMBL660415)	Inhibition constant at a concentration of 10 uM on rat DNA polymerase beta as a function of nucleotide substrate concentration
50011657	10	ChEMBL_677 (CHEMBL616261)	Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro
50011657	5	ChEMBL_681 (CHEMBL616265)	Antagonism at the 5-hydroxytryptamine 1A receptor in vitro
50011657	1	ChEMBL_678 (CHEMBL616262)	Antagonism of 5-hydroxytryptamine 1A receptor was determined in vitro using a [35S]GTP-gamma-S,
50011657	7	ChEMBL_947 (CHEMBL616126)	In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT
50011657	9	ChEMBL_32416 (CHEMBL876575)	In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin
50011657	2	ChEBML_681	Antagonism at the 5-hydroxytryptamine 1A receptor in vitro
50011660	5	ChEMBL_209247 (CHEMBL815534)	Antagonistic activity against thrombin receptor, inhibition of secreted radiolabeled [3H]5-HT from washed human platelets stimulated by 3 uM thrombin receptor activating peptide (TRAP)
50011660	3	ChEMBL_209257 (CHEMBL815698)	Inhibition of secretion of radiolabeled serotonin from washed human platelets stimulated by 1 nM thrombin
50011660	2	ChEMBL_209248 (CHEMBL815535)	Displacement of [3H]SFFLRR-NH2 from human thrombin receptor PAR-1
50011660	4	ChEBML_209247	Antagonistic activity against thrombin receptor, inhibition of secreted radiolabeled [3H]5-HT from washed human platelets stimulated by 3 uM thrombin receptor activating peptide (TRAP)
50011662	2	ChEMBL_153243 (CHEMBL764655)	Binding affinity of compound to human peroxisome proliferator-activated receptor alpha was determined by competitive binding assay
50011662	5	ChEMBL_154054 (CHEMBL760859)	Compound was tested for half maximum transactivation activity of human peroxisome proliferator-activated receptor gamma
50011662	4	ChEMBL_154205 (CHEMBL759450)	Binding affinity of compound to human peroxisome proliferator-activated receptor gamma was determined by competitive binding assay
50011668	1	ChEMBL_91729 (CHEMBL702027)	Tested for binding affinity against kynureninase enzyme from bacterial cells
50035268	1	ChEMBL_198006 (CHEMBL798983)	Concentration required to inhibit the action of protein phosphatase 2A
50011677	1	ChEBML_106721	In vitro for inhibitory activity of compound against recombinant Metabotropic glutamate receptor 5 evaluated as inhibition of quisqualate-stimulated phosphoinositide (PI) hydrolysis
50011677	2	ChEMBL_106721 (CHEMBL715727)	In vitro for inhibitory activity of compound against recombinant Metabotropic glutamate receptor 5 evaluated as inhibition of quisqualate-stimulated phosphoinositide (PI) hydrolysis
50011677	3	ChEMBL_104275 (CHEMBL711710)	Tested in vitro binding affinity for displacement of [3H]M-MPEP from membrane of L(-tk) cells expressing the Metabotropic glutamate receptor 5, activity expressed as IC50
50011681	7	ChEMBL_70342 (CHEMBL677167)	Inhibition of Src-transformed fibroblast cell proliferation
50011681	3	ChEMBL_202619 (CHEMBL805364)	Inhibition of Src protein tyrosine kinase
50011681	6	ChEMBL_5008 (CHEMBL621154)	Inhibition of EGFR overexpressing A431 cell proliferation
50011684	9	ChEMBL_215977 (CHEMBL821006)	Displacement of alphaIIb-beta3 integrin from fibrinogen by ELISA
50035269	2	ChEMBL_196565 (CHEMBL802330)	Inhibition constant for the compound was determined against the recombinant rat liver AdoHyc hydrolase (MV1304/pUCSAH)
50011717	5	ChEBML_159403	Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay
50011717	4	ChEMBL_157828 (CHEMBL769432)	Inhibition of the wild type murine Prostaglandin G/H synthase 2 wild-type enzyme
50011717	2	ChEMBL_51865 (CHEMBL665876)	Inhibition of the murine Arg120Ala mutant type COX-2
50011718	5	ChEMBL_195675 (CHEMBL800748)	Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme
50011718	3	ChEMBL_195681 (CHEMBL800598)	Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme
50011718	2	ChEMBL_195679 (CHEMBL800596)	Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme
50011718	4	ChEBML_195675	Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme
50011718	1	ChEMBL_195678 (CHEMBL800750)	Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme
50011719	5	ChEMBL_79958 (CHEMBL687729)	Tested in vitro for potential potency against PI-resistant HIV virus by A-44 mutant enzyme variant
50011719	3	ChEMBL_159448 (CHEMBL766794)	In vitro inhibitory activity against wild type HIV-1 protease
50011719	4	ChEMBL_159447 (CHEMBL766793)	In vitro inhibitory activity against mutant HIV-1 (A-44)protease
50011720	5	ChEMBL_51678 (CHEMBL664782)	In vitro inhibition of cyclooxygenase-1 via inhibition of TXB2 generation in the presence of 1 uM arachidonic acid in human platelets at concentration of 10 uM
50011720	4	ChEBML_51677	In vitro inhibition of cyclooxygenase-1 by inhibition of TXB2 generation with 1 uM arachidonic acid in human platelets
50011720	1	ChEBML_51701	In vitro inhibition of PGE-2 generation by LPS-stimulated monocytes isolated from human blood.
50011720	2	ChEMBL_51675 (CHEMBL664168)	In vitro inhibition of cyclooxygenase-1 via inhibition of TXB2 generation in the presence of 1 uM arachidonic acid in human platelet
50011720	6	ChEMBL_51692 (CHEMBL665707)	Tested in vitro for inhibition of cyclooxygenase-1 in human blood assay
50001101	1	ChEBML_3961	Inhibition of 5-lipoxygenase in intact RBL-1 cell line
50011720	3	ChEMBL_51859 (CHEMBL664080)	Tested in vitro for inhibition of cyclooxygenase-2 in human blood assay
50011727	1	ChEBML_43631	Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells
50001104	1	ChEBML_158569	Inhibitory activity against Prostaglandin G/H synthase
50001105	1	ChEBML_195977	Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen
50001105	2	ChEMBL_195977 (CHEMBL807683)	Tested in vitro for their ability to inhibit human renin incubated with human angiotensinogen
50001106	1	ChEBML_195780	Inhibition of human renin
50001106	2	ChEMBL_195780 (CHEMBL801703)	Inhibition of human renin
50011729	4	ChEMBL_104879 (CHEMBL709177)	Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloprotease-3)
50011729	5	ChEMBL_106278 (CHEMBL714628)	Inhibitory constant against recombinant human Matrix metalloprotease-1
50011729	3	ChEBML_104879	Inhibitory constant against recombinant human stromelysin-1 (Matrix metalloprotease-3)
50011729	1	ChEBML_105400	Inhibitory constant against recombinant human gelatinase B (Matrix metalloprotease-9)
50011729	2	ChEBML_106278	Inhibitory constant against recombinant human Matrix metalloprotease-1
50011729	6	ChEMBL_105400 (CHEMBL710819)	Inhibitory constant against recombinant human gelatinase B (Matrix metalloprotease-9)
50001112	1	ChEBML_31342	In vitro inhibition of aldose reductase from the partially purified bovine lens
50011732	2	ChEMBL_69830 (CHEMBL679579)	FPT inhibitory activity was determined by the ability to inhibit the transfer of [3H]farnesyl from farnesyl pyrophosphate to H-ras-CLVS
50011734	5	ChEMBL_214677 (CHEMBL818283)	Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligand
50035271	4	ChEMBL_60076 (CHEMBL671732)	In vitro binding affinity at human cloned dopamine receptor D2 (short) stably expressed in CHO cells by [3H]spiperone displacement.
50035271	2	ChEMBL_60075 (CHEMBL671731)	In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]-Spiperone displacement.
50035271	11	ChEMBL_60674 (CHEMBL674045)	In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.
50035271	7	ChEMBL_58950 (CHEMBL671264)	Tested for the effective concentration against CHO 10001 cells in human D4.2 receptor established in mitogenesis assay
50001117	3	ChEBML_1062	Inhibitory activity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in mouse hippocampus
50035271	3	ChEBML_60674	In vitro binding affinity at human cloned dopamine receptor D4 stably expressed in CHO cells by [3H]spiperone displacement.
50011741	1	ChEBML_143628	Inhibitory concentration against Hepatitis C virus NS3 proteinase
50001117	2	ChEMBL_1064 (CHEMBL616389)	Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in mouse hippocampus
50001117	5	ChEMBL_2122 (CHEMBL617206)	Inhibitory activity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]ketanserin in mouse cerebral cortex
50001117	4	ChEMBL_2124 (CHEMBL617208)	Binding affinity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]-ketanserin in mouse cerebral cortex
50035272	1	ChEBML_222610	Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes
50042180	2	ChEMBL_214679 (CHEMBL818285)	Inhibition of [125I]VCAM-Ig binding to Alpha-4 beta-1 (VLA-4) of Jurkat cells
50001321	6	ChEMBL_63629 (CHEMBL675340)	Binding affinity against human elastase for less active diasteriomer
50001321	15	ChEMBL_63626 (CHEMBL675337)	Binding affinity against human Elastase
50001321	3	ChEBML_45359	Binding affinity against human Cathepsin G
50035273	4	ChEMBL_124733 (CHEMBL733706)	Inhibition of p38-related TNF-alpha release from human monocytes
50041059	2	ChEMBL_209210 (CHEMBL818004)	Displacement of [125I]NKA from human Tachykinin receptor 2 expressed in CHO cells
50001321	16	ChEMBL_45359 (CHEMBL661895)	Binding affinity against human Cathepsin G
50011754	1	ChEBML_143654	Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease
50001119	8	ChEMBL_92229 (CHEMBL703575)	Inhibition of Kallikrein proteolytic enzyme
50001119	1	ChEBML_92229	Inhibition of Kallikrein proteolytic enzyme
50001119	5	ChEMBL_213242 (CHEMBL821451)	Evaluated for the inhibition of trypsin
50001119	9	ChEMBL_155581 (CHEMBL759956)	Inhibition of plasmin
50001119	4	ChEMBL_155583 (CHEMBL759958)	Evaluated for the inhibition of plasmin.(no inhibition at 400 uM)
50001119	6	ChEBML_213242	Evaluated for the inhibition of trypsin
50001119	3	ChEMBL_155582 (CHEMBL759957)	Evaluated for the inhibition of plasmin.( no inhibition at 400 uM)
50001119	2	ChEBML_155582	Evaluated for the inhibition of plasmin.( no inhibition at 400 uM)
50001122	1	ChEBML_834	Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]-8-OH- DPAT as radioligand
50001122	2	ChEMBL_833 (CHEMBL615833)	Binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH- DPAT as radioligand
50001122	3	ChEMBL_834 (CHEMBL615834)	Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]-8-OH- DPAT as radioligand
50001124	3	ChEMBL_1118 (CHEMBL616063)	Binding affinity towards 5-hydroxytryptamine 1A receptor sites in cortical membranes using [3H]8-OH-DPAT as radioligand
50001124	1	ChEMBL_1119 (CHEMBL616064)	Binding affinity towards 5-hydroxytryptamine 1A receptor sites, in rat striatum membranes using [3H]- sandoz 205-501 as radioligand
50001124	2	ChEBML_1119	Binding affinity towards 5-hydroxytryptamine 1A receptor sites, in rat striatum membranes using [3H]- sandoz 205-501 as radioligand
50001127	6	ChEMBL_42764 (CHEMBL653734)	Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane
50001127	4	ChEBML_42766	Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig heart membrane
50042181	2	ChEMBL_213373 (CHEMBL817233)	In vitro inhibition of [125I]VCAM-Ig binding to very late antigen -4 on jurkat cells.
50011777	1	ChEBML_33941	The compound was tested for the inhibitory activity against alpha-L-Fucosidase in bovine kidney
50011777	2	ChEMBL_33941 (CHEMBL649567)	The compound was tested for the inhibitory activity against alpha-L-Fucosidase in bovine kidney
50011784	5	ChEBML_158937	The compound was evaluated for its inhibitory activity against Prostaglandin G/H synthase 1 using monocytes-like cells
50011784	7	ChEMBL_158938 (CHEMBL767826)	The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 1
50035276	3	ChEBML_159393	Binding affinity against progesterone receptor using human T47D breast carcinoma cell line
50035276	2	ChEMBL_159075 (CHEMBL763207)	Agonistic activity against progesterone receptor in alkaline phosphatase assay using human T47D breast carcinoma cell line
50035276	6	ChEMBL_159391 (CHEMBL763445)	Antagonistic activity against Progesterone receptor (PR) in transcriptional activation assay in human T47D breast carcinoma cell line
50035276	1	ChEMBL_159393 (CHEMBL763447)	Binding affinity against progesterone receptor using human T47D breast carcinoma cell line
50001135	1	ChEBML_58550	Binding affinity against Dopamine receptor D2 from rat brain corpus striatum membrane
50001135	2	ChEBML_58173	Binding affinity against Dopamine receptor D1 from rat brain corpus striatum membrane
50035276	4	ChEMBL_159392 (CHEMBL763446)	Binding affinity for Progesterone receptor (PR) in human T47D breast carcinoma cells
50011794	4	ChEBML_71454	Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]inositol phosphate hydrolysis
50011794	5	ChEMBL_71455 (CHEMBL685984)	Inhibition of [125I]buserelin binding to human pituitary gonadotropin-releasing hormone receptor
50001139	1	ChEBML_208031	Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 2 (HSV-2).
50001139	4	ChEBML_208027	Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 1 (HSV-1).
50001139	5	ChEMBL_208031 (CHEMBL812474)	Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 2 (HSV-2).
50001139	6	ChEMBL_208027 (CHEMBL872709)	Inhibition of TdR phosphorylation using thymidine kinase (TK) assay for herpes simplex virus type 1 (HSV-1).
50011794	6	ChEMBL_71454 (CHEMBL685983)	Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]inositol phosphate hydrolysis
50011795	2	ChEBML_209196	Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]NKA as a radioligand
50011795	1	ChEBML_205886	Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand
50011893	1	ChEBML_202135	Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter
50011893	2	ChEBML_62179	Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter
50011897	1	ChEBML_155211	Inhibition of Phosphodiesterase 5
50011899	1	ChEBML_146990	In vitro biological activity by electrically induced smooth muscle contractions in guinea pig ileum (Opioid receptor mu 1); inhibitory concentration was evaluated
50011899	2	ChEBML_145885	In vitro biological activity by electrically induced smooth muscle contractions in mouse vas deferens (Opioid receptor delta 1); inhibitory concentration was evaluated
50011899	4	ChEBML_148856	Binding affinity against Opioid receptor mu 1 using [3H]DAMGO in rat brain synaptosomes was determined
50011899	3	ChEBML_146917	Binding affinity against Opioid receptor delta 1 using [3H]DT in rat brain synaptosomes was determined
50011902	2	ChEMBL_31119 (CHEMBL643547)	Inhibition of human adenosine kinase activity
50000846	2	ChEMBL_1696305 (CHEMBL4047195)	Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 3 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assay (Rvb = 6.161 +/- 0.172 microM)
50000846	1	ChEMBL_1696291 (CHEMBL4047181)	Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 10 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assay (Rvb = 6.161 +/- 0.172 microM)
50011905	2	ChEMBL_213102 (CHEMBL815029)	Dissociation constant using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor
50011905	1	ChEBML_213102	Dissociation constant using IP3-binding domain (IBD) of human Type 1 inositol 1,4,5-trisphosphate receptor
50011907	8	ChEBML_27862	Tested for inhibitory activity against Activated protein C
50011907	10	ChEMBL_49330 (CHEMBL660847)	Inhibition of Coagulation factor Xa
50011908	2	ChEBML_49695	Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
50011908	1	ChEMBL_49695 (CHEMBL885068)	Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
50011908	4	ChEMBL_39665 (CHEMBL650910)	Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4
50011910	3	ChEBML_106788	Inhibition of membrane type MT1-MMP (Matrix metalloprotease-14)catalytic domain
50011910	2	ChEBML_105399	Inhibitory activity against human gelatinase B (matrix metalloprotease-9)
50001148	1	ChEBML_50034	Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas
50001148	2	ChEBML_47836	Inhibition of binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues
50011911	1	ChEBML_85849	Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane
50001149	1	ChEMBL_80661 (CHEMBL691946)	In vitro inhibition of HMG-CoA reductase of rat liver
50001149	2	ChEBML_80477	Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)
50001153	2	ChEBML_76081	Binding affinity of compound towards H+/K+ ATPase for activation was determined
50001153	3	ChEMBL_76078 (CHEMBL871941)	In vitro inhibition of H+/K+ ATPase activity was determined in gastric vesicles of pig using ATPase assay with pH 7
50001153	1	ChEMBL_76081 (CHEMBL879774)	Binding affinity of compound towards H+/K+ ATPase for activation was determined
50011916	1	ChEBML_3262	Inhibitory activity against 5-hydroxytryptamine 4 receptor of guinea pig striatum using [3H]GR-113808 as radioligand
50035279	2	ChEBML_162020	Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates competitive inhibition)
50035279	7	ChEMBL_162187 (CHEMBL766707)	Compound was evaluated for its binding affinity against human erythrocyte purine nucleoside phosphorylase
50035279	5	ChEMBL_162019 (CHEMBL764870)	Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non competitive inhibition)
50035279	4	ChEMBL_162017 (CHEMBL764868)	Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates Non competitive inhibition)
50035279	8	ChEMBL_162020 (CHEMBL772960)	Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates competitive inhibition)
50035279	1	ChEMBL_162018 (CHEMBL764869)	Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates competitive inhibition)
50011919	2	ChEBML_210836	Inhibitory activity against human Tryptase beta was evaluated
50011831	1	ChEBML_143619	Michaelis-Menten constant was determined against Hepatitis C virus NS3 protease and represented as Km
50011831	3	ChEMBL_143619 (CHEMBL751828)	Michaelis-Menten constant was determined against Hepatitis C virus NS3 protease and represented as Km
50035280	2	ChEBML_212195	Binding affinity against bovine trypsin
50011837	4	ChEBML_106022	Tested for its binding affinity towards human recombinant Melanocortin 3 receptor by using radioligand binding assay
50011837	1	ChEBML_106659	Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay
50011837	2	ChEBML_106361	Tested for its binding affinity towards human recombinant Melanocortin 4 receptor by using radioligand binding assay
50011837	3	ChEBML_105844	Tested for its binding affinity towards human recombinant Melanocortin 1 receptor by using radioligand binding assay
50011837	5	ChEMBL_106361 (CHEMBL872562)	Tested for its binding affinity towards human recombinant Melanocortin 4 receptor by using radioligand binding assay
50035281	2	ChEBML_106020	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor
50035281	1	ChEBML_106360	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptor
50035281	5	ChEMBL_105842 (CHEMBL716052)	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor
50035281	6	ChEMBL_106657 (CHEMBL713002)	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor
50035281	3	ChEBML_105842	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 1 receptor
50035281	7	ChEMBL_106360 (CHEMBL714440)	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptor
50011839	2	ChEBML_157994	Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin
50011839	1	ChEBML_159404	Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin
50011843	2	ChEMBL_222792 (CHEMBL847120)	Inhibitory activity against human plasminogen activator inhibitor-1 (PAI-1) evaluated by complex assay.
50011843	1	ChEBML_222791	Inhibitory activity against human plasminogen activator inhibitor-1 (PAI-1) evaluated by chromogenic assay.
50011843	3	ChEMBL_222791 (CHEMBL847119)	Inhibitory activity against human plasminogen activator inhibitor-1 (PAI-1) evaluated by chromogenic assay.
50035282	3	ChEMBL_141918 (CHEMBL750561)	Inhibitory activity against Xenopus laevis oocyte expressing 1A/2A heteromeric human NMDA (hNMDA) receptor
50035282	4	ChEMBL_141935 (CHEMBL746993)	Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor
50011874	2	ChEMBL_100831 (CHEMBL709763)	Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL at 30 degree C
50001178	2	ChEBML_52212	Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]LTD4 (0.2 nM)
50011875	1	ChEBML_201567	In vitro binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand
50011875	2	ChEMBL_201567 (CHEMBL810682)	In vitro binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand
50011877	1	ChEMBL_142595 (CHEMBL872438)	Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expressed in TE-671 cell (at holding potential -100 mV)
50011877	2	ChEBML_142595	Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expressed in TE-671 cell (at holding potential -100 mV)
50001178	4	ChEBML_4052	Inhibition against 5-lipoxygenase from guinea pig polymorphonuclear lymphocytes
50011877	3	ChEMBL_142596 (CHEMBL750562)	Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expressed in TE-671 cell (at holding potential -50 mV)
50011879	4	ChEMBL_143995 (CHEMBL750833)	Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with Human NPY-Y5 cDNA (compound prepared by manual synthesis technique)
50011879	3	ChEMBL_143996 (CHEMBL750834)	Inhibitory concentration of total specific binding of [125I]- -PYY to HEK 293 cells transfected with the Human NPY-Y5 cDNA (compound prepared by parallel synthesis technique)
50001178	5	ChEMBL_75171 (CHEMBL685586)	Inhibition of the spasmogenic activity of LTD4 in guinea pig parenchymal strips.
50001179	3	ChEBML_52211	Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]LTD4
50001233	3	ChEMBL_157723 (CHEMBL873416)	Inhibition of HIV protease at pH 6.4, 37 degree C
50001179	1	ChEMBL_52052 (CHEMBL666438)	Inhibitory concentration of compound against binding of Cysteinyl leukotriene D4 receptor from guinea pig lung using [3H]LTD4
50001179	2	ChEMBL_52211 (CHEMBL666680)	Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]LTD4
50035284	2	ChEMBL_215812 (CHEMBL820101)	Inhibition of [3H]RTX binding to human Vanilloid receptor subtype 1 expressed in HEK293 cells
50035284	1	ChEMBL_215798 (CHEMBL820087)	Induced [Ca2+] influx in Vanilloid receptor subtype 1 expressing HEK 293 cells
50011885	1	ChEBML_105517	Inhibition of Matrix metalloprotease-9
50011886	2	ChEBML_105508	Inhibition of Matrix metalloprotease-9 activity
50011890	13	ChEBML_214253	Inhibition of Vascular endothelial growth factor receptor 3
50011890	28	ChEMBL_60854 (CHEMBL675996)	Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK)
50011890	14	ChEBML_160267	Inhibition of protein kinase C alpha
50011892	2	ChEMBL_158889 (CHEMBL760877)	Inhibitory activity against Procollagen C-Proteinase (PCP)
50011943	5	ChEMBL_216123 (CHEMBL816943)	Ability to displace [3H]WIN-35 radioligand for the dopamine transporter 428 DAT in rat brain
50011943	6	ChEMBL_62494 (CHEMBL677551)	Ability to displace [3H]WIN-35 radioligand for the dopamine transporter 428 DAT in rat brain
50011943	7	ChEMBL_201987 (CHEMBL809432)	Ability to displace [3H]citalopram radioligand, for the Serotonin transporter in rat brain
50011943	1	ChEBML_144988	Ability to displace [3H]-nisoxatine radioligand for the Norepinephrine transporter in rat brain
50011943	8	ChEMBL_144988 (CHEMBL754232)	Ability to displace [3H]-nisoxatine radioligand for the Norepinephrine transporter in rat brain
50011943	9	ChEMBL_139069 (CHEMBL745664)	Ability to displace [3H]pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain
50011943	4	ChEBML_201987	Ability to displace [3H]citalopram radioligand, for the Serotonin transporter in rat brain
50011943	3	ChEBML_139069	Ability to displace [3H]pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain
50011943	2	ChEBML_216123	Ability to displace [3H]WIN-35 radioligand for the dopamine transporter 428 DAT in rat brain
50011953	2	ChEMBL_72878 (CHEMBL684046)	Tested for its ability to inhibit cAMP production in human glucagon receptor expressed CHO cells
50011954	1	ChEBML_212328	Competitive inhibition of trypsin
50011956	20	ChEBML_159409	Inhibitory concentration against prostaglandin G/H synthase 1
50011956	8	ChEMBL_157844 (CHEMBL768583)	Inhibitory concentration against Y115L/S119V mutant murine Prostaglandin G/H synthase 2
50011956	2	ChEMBL_157839 (CHEMBL768579)	Inhibitory concentration against S530A mutant murine Prostaglandin G/H synthase 2
50011956	9	ChEMBL_157831 (CHEMBL878787)	Inhibitory concentration against E524L mutant murine Prostaglandin G/H synthase 2
50011956	14	ChEMBL_157841 (CHEMBL856208)	Inhibitory concentration against V891 mutant murine Prostaglandin G/H synthase 2
50011956	21	ChEMBL_159409 (CHEMBL763978)	Inhibitory concentration against prostaglandin G/H synthase 1
50011956	11	ChEMBL_157834 (CHEMBL768574)	Inhibitory concentration against I92L mutant murine Prostaglandin G/H synthase 2
50011956	4	ChEMBL_157836 (CHEMBL768576)	Inhibitory concentration against R120A mutant murine Prostaglandin G/H synthase 2
50011956	5	ChEMBL_157837 (CHEMBL768577)	Inhibitory concentration against R120Q mutant murine Prostaglandin G/H synthase 2
50011956	6	ChEMBL_157847 (CHEMBL768585)	Inhibitory concentration against wild type murine Prostaglandin G/H synthase 2
50011956	15	ChEMBL_157832 (CHEMBL768572)	Inhibitory concentration against F357L mutant murine Prostaglandin G/H synthase 2
50011956	16	ChEMBL_157842 (CHEMBL768581)	Inhibitory concentration against VRV, mutant murine Prostaglandin G/H synthase 2
50011956	13	ChEMBL_157835 (CHEMBL768575)	Inhibitory concentration against L503F mutant murine Prostaglandin G/H synthase 2
50011956	7	ChEMBL_157843 (CHEMBL768582)	Inhibitory concentration against Y115L mutant murine Prostaglandin G/H synthase 2
50011956	22	ChEMBL_157840 (CHEMBL768580)	Inhibitory concentration against V5231, mutant murine Prostaglandin G/H synthase 2
50001197	3	ChEMBL_149182 (CHEMBL762745)	Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor
50001197	2	ChEBML_215028	Inhibition of [3H]arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor
50011956	17	ChEMBL_157833 (CHEMBL768573)	Inhibitory concentration against H122N mutant murine Prostaglandin G/H synthase 2
50011956	19	ChEBML_159920	Inhibitory concentration against human prostaglandin G/H synthase 2
50011956	1	ChEMBL_157838 (CHEMBL768578)	Inhibitory concentration against S119V mutant murine Prostaglandin G/H synthase 2
50001197	4	ChEMBL_214384 (CHEMBL821115)	Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor
50011956	18	ChEMBL_159401 (CHEMBL878530)	Inhibition concentration against Prostaglandin G/H synthase 1
50011956	10	ChEMBL_157845 (CHEMBL768584)	Inhibitory concentration against l503F mutant murine Prostaglandin G/H synthase 2
50035288	2	ChEMBL_208387 (CHEMBL878638)	Inhibitory concentration against human thymidine phosphorylase TP
50012711	1	ChEBML_49693	Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane
50035289	10	ChEMBL_106677 (CHEMBL714659)	Agonist activity against human melanocortin receptor hMC1R
50035289	3	ChEBML_106680	Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH
50035289	1	ChEBML_106686	Agonist activity against human melanocortin receptor hMC4R
50035289	9	ChEMBL_106808 (CHEMBL717496)	Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH
50035289	11	ChEMBL_106686 (CHEMBL714667)	Agonist activity against human melanocortin receptor hMC4R
50035289	2	ChEMBL_106680 (CHEMBL714661)	Binding affinity towards human melanocortin receptor hMC1R by using radioligand NDP-MSH
50035289	6	ChEMBL_106678 (CHEMBL878351)	Agonist activity against human melanocortin receptor hMC1R at 50% maximum cAMP accumulation
50035289	7	ChEBML_106683	Binding affinity towards human melanocortin receptor hMC3R by using radioligand NDP-MSH
50020830	2	ChEMBL_444826 (CHEMBL895077)	Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells
50012697	1	ChEBML_46137	Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]SR-141,716A at 50 uM
50012705	3	ChEMBL_79976 (CHEMBL690414)	Inhibitory activity against HIV-1 protease
50035290	3	ChEMBL_217466 (CHEMBL821653)	Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane
50013197	2	ChEBML_158746	In vitro inhibitory activity against recombinant human Prostaglandin G/H synthase 1
50043997	2	ChEMBL_32637 (CHEMBL640626)	Binding affinity towards nicotinic receptor in rat brain using [3H]cytisine ligand
50013227	9	ChEMBL_154546 (CHEMBL760265)	In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)
50013227	2	ChEMBL_154547 (CHEMBL757882)	In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells
50013227	8	ChEMBL_154545 (CHEMBL760264)	In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells
50013227	1	ChEBML_222303	In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)
50013227	5	ChEBML_154544	In vitro binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)
50013227	6	ChEMBL_154543 (CHEMBL760262)	In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells
50013227	7	ChEBML_154546	In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)
50013227	10	ChEMBL_154548 (CHEMBL757883)	In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)
50013227	11	ChEMBL_154544 (CHEMBL760263)	In vitro binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)
50013227	4	ChEMBL_222303 (CHEMBL841917)	In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)
50013231	2	ChEMBL_159452 (CHEMBL766797)	Inhibition of HIV protease of HIV K-60C mutant strain
50013231	1	ChEMBL_159455 (CHEMBL766800)	Inhibition of wild type HIV protease
50013231	3	ChEBML_159452	Inhibition of HIV protease of HIV K-60C mutant strain
50013231	4	ChEMBL_159453 (CHEMBL766798)	Inhibition of HIV protease of HIV V-18C mutant strain
50013232	1	ChEMBL_27794 (CHEMBL637621)	Inhibitory activity against acetylcholinesterase (AChE) from Torpedo californica (Irreversible type of inhibition)
50035294	1	ChEBML_158542	Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1
50013258	2	ChEBML_160955	Inhibition of Protein kinase C epsilon
50013258	14	ChEBML_161124	Inhibition of Protein kinase C eta
50013258	16	ChEMBL_162378 (CHEMBL767466)	Inhibition of purified rat brain protein kinase C (RB-PKC)
50013258	6	ChEBML_160102	Inhibition of Protein kinase C alpha
50013258	9	ChEBML_202623	Inhibition of Src protein tyrosine kinase
50013258	7	ChEBML_160462	Inhibition of Protein kinase C beta 1
50013258	13	ChEBML_160767	Inhibition of Protein kinase C delta
50013258	10	ChEBML_161147	Inhibition of Protein kinase C gamma
50013258	17	ChEMBL_162531 (CHEMBL767435)	Inhibition of purified mammalian brain calcium calmodulin dependent protein kinase (Ca calmod)
50013258	1	ChEMBL_160462 (CHEMBL761758)	Inhibition of Protein kinase C beta 1
50013258	8	ChEBML_161460	Inhibition of Protein kinase C zeta
50035295	1	ChEBML_69697	Binding affinity for Farnesoid X Receptor (FXR)
50042182	6	ChEMBL_213389 (CHEMBL818047)	Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]
50042182	4	ChEMBL_213390 (CHEMBL818048)	Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of Mn2+
50042182	5	ChEMBL_213391 (CHEMBL818049)	Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+
50013269	2	ChEBML_147148	Binding affinity was determined towards Opioid receptor delta 1 using [3H]naltrindole as radioligand
50013269	3	ChEBML_146513	Binding affinity was determined towards opioid receptor kappa 1 using [3H]U-69593 as radioligand
50013269	1	ChEBML_149476	Binding affinity was determined towards opioid receptor mu1 using [3H]DAMGO as radioligand
50013272	1	ChEBML_155719	Inhibition of Phosphodiesterase-4A (PDE4)
50013301	2	ChEBML_85847	Binding affinity against H3 receptor in guinea pig brain using [3H]N-alpha-methyl histamine as radioligand
50035297	3	ChEBML_223058	Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS
50035297	2	ChEBML_89197	Inhibitory concentration against human Inducible nitric oxide synthase
50035297	1	ChEBML_65301	Inhibitory concentration against recombinant human Endothelial nitric oxide synthase
50035299	3	ChEMBL_197275 (CHEMBL804262)	In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant
50035299	2	ChEMBL_197276 (CHEMBL804263)	In vitro antiviral activity against HIV-1 Reverse transcriptase wild type
50013314	1	ChEBML_105393	Inhibition of recombinant human Matrix metalloprotease-9
50035300	1	ChEBML_212189	In vitro inhibitory activity against trypsin
50013317	3	ChEBML_105375	In vitro inhibition of Matrix metalloprotease-9
50035301	2	ChEMBL_105194 (CHEMBL713833)	Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5
50035302	2	ChEMBL_159060 (CHEMBL764954)	Effective concentration for agonist activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells
50035302	3	ChEMBL_159384 (CHEMBL768817)	Inhibitory concentration for antagonistic activity towards human progesterone receptor (hPR) using the cotransfection assay in CV-1 cells
50035302	14	ChEMBL_159551 (CHEMBL765839)	Binding affinity for human progesterone receptor; Not active
50035302	17	ChEMBL_159550 (CHEMBL765838)	Binding affinity to human progesterone receptor
50035302	1	ChEBML_159551	Binding affinity for human progesterone receptor; Not active
50035302	15	ChEMBL_66049 (CHEMBL679018)	Inhibitory activity against human Estrogen receptor; not active
50001224	1	ChEBML_99660	Inhibition of specific binding of [3H]LTB4 to Leukotriene B4 receptor in human neutrophils
50035302	16	ChEMBL_65905 (CHEMBL679349)	Antagonist activity at estrogen (hER) receptor
50035303	1	ChEMBL_159553 (CHEMBL765841)	Binding affinity at human progesterone receptor.
50035303	5	ChEMBL_159065 (CHEMBL764959)	Effective concentration for human progesterone receptor in T47D human breast cancer cell
50035303	2	ChEMBL_159389 (CHEMBL768822)	Inhibition of human progesterone receptor activation in T47D human breast cancer cell.
50001225	2	ChEBML_52379	In vitro binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
50035303	6	ChEBML_159057	Effective concentration for antagonistic activity towards human progesterone in CV-1 cells
50035303	13	ChEMBL_159057 (CHEMBL760109)	Effective concentration for antagonistic activity towards human progesterone in CV-1 cells
50035303	9	ChEMBL_159062 (CHEMBL764956)	Effective concentration for human progesterone in T47D human breast cancer cell
50035303	18	ChEMBL_159058 (CHEMBL760110)	Antagonistic activity at human progesterone receptor in CV-1 cells.
50035303	10	ChEMBL_159552 (CHEMBL765840)	Binding towards human progesterone receptor
50035303	11	ChEMBL_36125 (CHEMBL649557)	Inhibition of antagonist activity towards Androgen receptor
50001226	3	ChEMBL_52377 (CHEMBL663210)	In vitro inhibitory activity against Cysteinyl leukotriene D4 receptor from human lung membrane
50001226	2	ChEBML_52042	Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane
50001227	1	ChEBML_154992	Inhibition of [3H]PAF binding to platelet activating factor receptor citrate-treated dog blood
50001228	1	ChEBML_148837	Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.
50001228	2	ChEMBL_148837 (CHEMBL753955)	Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes.
50035303	3	ChEMBL_159387 (CHEMBL768820)	Inhibition of human progesterone in T47D human breast cancer cell
50035303	14	ChEMBL_159554 (CHEMBL765842)	Binding towards human progesterone receptor; Not tested
50035304	1	ChEBML_106667	Compound was evaluated for its agonist activity on mouse melanocortin 5 receptor (mMC5R) stably expressed in HEL cells
50035304	6	ChEMBL_106156 (CHEMBL718852)	Compound was evaluated for its agonist activity on mouse melanocortin receptor 3 (mMC3R) stably expressed in HEK cells
50035304	3	ChEBML_105854	Compound was evaluated for its agonist activity on mouse melanocortin 1 receptor (mMC1R) stably expressed in HEK cells
50035304	4	ChEBML_106494	Agonist activity on mouse melanocortin 4 receptor (mMC4R) stably expressed in HEL cells
50013327	1	ChEBML_71704	Inhibition of Glutamate carboxypeptidase II
50013327	4	ChEMBL_71702 (CHEMBL680916)	Concentration required for the neuroprotective effect determined by inhibition of GCP II
50013327	2	ChEMBL_71706 (CHEMBL680920)	Inhibitory concentration required against Glutamate carboxypeptidase II
50035305	8	ChEMBL_201347 (CHEMBL806209)	Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells
50035305	9	ChEMBL_61658 (CHEMBL872498)	Compound was tested for inhibition of [125I]RTI-55 binding to dopamine transporter in HEK cells
50035305	7	ChEMBL_61509 (CHEMBL670826)	Compound was tested for inhibition of [3H]DA binding to Dopamine transporter in HEK cells
50035305	2	ChEMBL_142613 (CHEMBL751151)	Compound was tested for inhibition of [125I]-RTI-55 binding to norepinephrine transporter HEK cells
50035305	10	ChEMBL_145001 (CHEMBL756263)	Compound was tested for inhibition of [3H]NE binding to norepinephrine transporter HEK cells
50035305	6	ChEBML_61658	Compound was tested for inhibition of [125I]RTI-55 binding to dopamine transporter in HEK cells
50035305	1	ChEMBL_201374 (CHEMBL805519)	Compound was tested for inhibition of [125I]RTI-55 binding to Serotonin transporter in HEK cells
50035305	3	ChEMBL_61510 (CHEMBL670827)	Compound was tested for inhibition of [3H]DA binding to dopamine (DAT) transporter in HEK cells
50013340	5	ChEMBL_72354 (CHEMBL686441)	Binding affinity against Growth factor receptor bound protein 2 using ELISA assay
50013340	2	ChEBML_72354	Binding affinity against Growth factor receptor bound protein 2 using ELISA assay
50013341	2	ChEMBL_61969 (CHEMBL670425)	Antagonistic activity of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells
50013341	3	ChEMBL_61968 (CHEMBL884455)	Agonistic activity of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells
50013341	5	ChEBML_61975	Stimulation of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells
50013341	7	ChEMBL_61975 (CHEMBL670580)	Stimulation of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells
50013342	2	ChEBML_41682	Agonistic activity against cloned human beta1-AR (beta-2-adrenergic receptor) in CHO cells
50001233	1	ChEBML_157719	Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C
50001233	2	ChEMBL_157719 (CHEMBL763393)	Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C
50048839	1	ChEMBL_36475 (CHEMBL653127)	Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin II receptor
50013345	1	ChEBML_159277	In vitro inhibition against ovine Prostaglandin G/H synthase 1
50013347	3	ChEBML_105220	Inhibition of matrix metalloprotease-9
50013350	3	ChEMBL_105283 (CHEMBL718950)	Inhibitory activity against Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)
50013350	2	ChEMBL_105286 (CHEMBL718953)	Inhibitory activity against human methionyl-tRNA synthetase (hMetRS).
50001235	2	ChEMBL_195940 (CHEMBL801666)	In vitro inhibition of purified human renal renin.
50001235	1	ChEBML_195939	In vitro inhibition of human plasma renin.
50001235	3	ChEMBL_195939 (CHEMBL801665)	In vitro inhibition of human plasma renin.
50001236	2	ChEMBL_216460 (CHEMBL818531)	Inhibitory activity against alpha-chymotrypsin
50001236	1	ChEBML_206132	Inhibitory activity against subtilisin
50001236	3	ChEBML_216460	Inhibitory activity against alpha-chymotrypsin
50013350	1	ChEMBL_105278 (CHEMBL718946)	Inhibitory activity against Enterococci faecalis methionyl-tRNA synthetase (EfMetRS)
50013350	4	ChEBML_105283	Inhibitory activity against Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)
50013350	5	ChEMBL_203520 (CHEMBL806984)	Inhibitory activity against Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)
50035306	1	ChEMBL_70938 (CHEMBL683919)	Inhibition of Dexamethasone stimulated transcriptional activity in CHO cells expressing glucocorticoid receptor
50035306	3	ChEMBL_71247 (CHEMBL683493)	Inhibition of Dexamethasone binding to Glucocorticoid receptor
50035308	4	ChEMBL_106336 (CHEMBL715714)	Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand
50035308	2	ChEBML_105860	Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand
50035308	3	ChEBML_106007	Binding affinity towards human melanocortin 3 receptor (hMC3R) using [125I]NDP-alpha-MSH as radioligand
50001238	1	ChEBML_196255	Dissociation constant (Kd) of renin inhibitor was determined over a temperature range of 8-37 degree by the fluorescence displacement assay
50035309	4	ChEBML_155194	Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung
50001240	1	ChEBML_196424	Tested in vitro for inhibitory activity against plasma renin in rat models
50001241	6	ChEMBL_41593 (CHEMBL884137)	Inhibitory activity against Butyrylcholinesterase in plasma
50001241	7	ChEMBL_28633 (CHEMBL644789)	Inhibitory activity against Acetylcholinesterase in erythrocyte
50001241	1	ChEBML_28128	Inhibitory activity against Acetylcholinesterase in electric eel
50001241	5	ChEMBL_41592 (CHEMBL654886)	Inhibitory activity against Butyrylcholinesterase in cortex
50001241	3	ChEBML_28633	Inhibitory activity against Acetylcholinesterase in erythrocyte
50001241	2	ChEMBL_28632 (CHEMBL644788)	Inhibitory activity against Acetylcholinesterase in cortex
50001241	4	ChEBML_41592	Inhibitory activity against Butyrylcholinesterase in cortex
50001241	8	ChEMBL_28128 (CHEMBL644386)	Inhibitory activity against Acetylcholinesterase in electric eel
50001482	1	ChEMBL_68137 (CHEMBL680713)	Tested for time-dependent inactivation of the enzyme that followed pseudo- first- order kinetics in the absence of NAD+ and the Ki values were reported
50013396	2	ChEBML_2293	Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioligand.
50013396	4	ChEMBL_2293 (CHEMBL617078)	Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioligand.
50013396	5	ChEMBL_2971 (CHEMBL620619)	Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioligand.
50013396	1	ChEBML_3044	Binding affinity of compound towards 5-hydroxytryptamine 2C receptor
50035312	3	ChEMBL_141733 (CHEMBL749246)	Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.
50013401	1	ChEBML_946	In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]8-OH-DPAT displacement.
50001243	2	ChEBML_195951	Inhibition of human renin
50001243	1	ChEBML_196290	Inhibitory activity against Porcine renin
50001243	3	ChEMBL_195951 (CHEMBL806846)	Inhibition of human renin
50001247	1	ChEMBL_159470 (CHEMBL769256)	Inhibitory activity against recombinant HIV-1 protease.
50001247	2	ChEBML_159470	Inhibitory activity against recombinant HIV-1 protease.
50013401	4	ChEMBL_201993 (CHEMBL809438)	In vitro affinity at the 5-HT reuptake site using [3H]paroxetine as radioligand in rat frontal cortex membranes
50013401	2	ChEMBL_892 (CHEMBL835002)	Inhibition of 5-HT induced [35S]GTP-gamma-S, binding at human cloned 5-HT 1A receptors.
50013401	5	ChEMBL_946 (CHEMBL616125)	In vitro binding affinity at 5-hydroxytryptamine 1A receptor by [3H]8-OH-DPAT displacement.
50013401	3	ChEBML_201993	In vitro affinity at the 5-HT reuptake site using [3H]paroxetine as radioligand in rat frontal cortex membranes
50013405	4	ChEBML_88891	Inhibitory activity against IkappaB kinase(IKK) isolated from HeLa cells activated with recombinant MEEK1 in an ELISA phosphorylation assay.
50001251	2	ChEBML_141140	Tested for Ac-Asp-[3,4-3H]-Glu-OH hydrolysis inhibitory activity against rat forebrain N-acetylated-alpha-linked acidic dipeptidase
50001251	4	ChEMBL_141140 (CHEMBL749040)	Tested for Ac-Asp-[3,4-3H]-Glu-OH hydrolysis inhibitory activity against rat forebrain N-acetylated-alpha-linked acidic dipeptidase
50001251	1	ChEMBL_141136 (CHEMBL749036)	Concentration required for 50%inhibition of Ac-Asp-[3,4-3H]-Glu-OH hydrolysis against rat forebrain N-Acetylated alpha-linked Dipeptidase (NAALA Dipeptidase)
50001251	5	ChEMBL_141137 (CHEMBL749037)	Concentration required for 50%inhibition of Ac-Asp-[3,4-3H]-Glu-OH hydrolysis against rat forebrain N-acetylated-alpha-linked acidic dipeptidase
50001251	3	ChEMBL_141139 (CHEMBL749039)	Tested for Ac-Asp-[3,4-3H]-Glu-OH hydrolysis inhibitory activity against rat forebrain N-Acetylated alpha-linked Dipeptidase (NAALA Dipeptidase)
50001252	3	ChEMBL_4180 (CHEMBL619245)	Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)
50001252	4	ChEMBL_158283 (CHEMBL764933)	In vitro for prostaglandin G/H synthase inhibitory activity against rat basophil leukemia type 1 cell homogenates, by measuring the radioactivity of [14C]-PGD2
50001252	1	ChEMBL_3956 (CHEMBL618054)	In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)
50001252	5	ChEMBL_3951 (CHEMBL618050)	In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipoxygenase assay
50013467	2	ChEMBL_38768 (CHEMBL653142)	In vitro effective concentration against beta-3 adrenergic receptor.
50001252	2	ChEBML_3956	In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)
50013467	3	ChEMBL_38921 (CHEMBL652022)	In vitro effective concentration against beta-3 adrenergic receptor.
50001254	1	ChEBML_1314	Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand
50035314	3	ChEMBL_54392 (CHEMBL668776)	Inhibition of Escherichia coli Dihydrofolate reductase in presence of 30 uM Dihydrofolate reductase
50001254	3	ChEMBL_2328 (CHEMBL617535)	Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin as radioligand
50035314	2	ChEBML_54391	Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase
50035314	1	ChEMBL_54391 (CHEMBL668775)	Inhibition of Escherichia coli Dihydrofolate reductase in presence of 100 uM Dihydrofolate reductase
50035314	5	ChEMBL_54550 (CHEMBL664866)	Inhibition constant against Dihydrofolate reductase
50035314	4	ChEMBL_54551 (CHEMBL664867)	Inhibition constant of compound against dihydrofolate reductase
50013483	8	ChEMBL_221308 (CHEMBL841198)	Inhibition of human p56 Lck tyrosine kinase
50013483	7	ChEMBL_221480 (CHEMBL842067)	Inhibition of p56 Lck tyrosine kinase
50013483	5	ChEMBL_221493 (CHEMBL841380)	Inhibition of p56 Lck tyrosine kinase
50013483	2	ChEBML_221493	Inhibition of p56 Lck tyrosine kinase
50035316	5	ChEMBL_106356 (CHEMBL714436)	Binding affinity towards human melanocortin 4 receptor (hMC4R)
50035316	1	ChEBML_79558	In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)
50035316	2	ChEMBL_79558 (CHEMBL691188)	In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC3R)
50035316	7	ChEMBL_79557 (CHEMBL691187)	In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC1R)
50035316	8	ChEMBL_79559 (CHEMBL691189)	In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC4R)
50035316	6	ChEMBL_105841 (CHEMBL719018)	Binding affinity towards human Melanocortin 1 receptor (hMC1R)
50035316	9	ChEMBL_106017 (CHEMBL718189)	Binding affinity towards human Melanocortin 3 receptor (hMC3R)
50035316	4	ChEBML_105841	Binding affinity towards human Melanocortin 1 receptor (hMC1R)
50035316	3	ChEBML_106356	Binding affinity towards human melanocortin 4 receptor (hMC4R)
50001258	2	ChEBML_28989	Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand
50001259	1	ChEBML_29008	Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]R-PIA as radioligand
50013500	1	ChEBML_37980	In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trachea
50035318	1	ChEBML_154179	Inhibition concentration against Escherichia coli peptide deformylase.
50035318	2	ChEMBL_154179 (CHEMBL762383)	Inhibition concentration against Escherichia coli peptide deformylase.
50013506	1	ChEBML_33534	In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]rauwolscine
50013506	5	ChEMBL_33076 (CHEMBL647723)	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]rauwolscine
50013506	6	ChEMBL_33356 (CHEMBL644760)	In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine
50013506	7	ChEMBL_201997 (CHEMBL809442)	In vitro binding affinity towards rat serotonin transporter
50013506	3	ChEBML_33076	In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]rauwolscine
50013506	8	ChEMBL_33534 (CHEMBL648625)	In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]rauwolscine
50013506	4	ChEBML_201997	In vitro binding affinity towards rat serotonin transporter
50013509	4	ChEBML_105394	Inhibition of recombinant human matrix metalloprotease-9
50013510	5	ChEBML_105395	Inhibition of recombinant human matrix metalloprotease-9 (gelatinase B)
50013511	1	ChEBML_143492	Inhibitory concentration against hepatitis C virus (HCV) NS3 protease
50035319	1	ChEMBL_158540 (CHEMBL766814)	Inhibition of human Potassium channel HERG expressed in mammalian cells
50035321	1	ChEBML_208517	Inhibitory activity against thrombin IIa
50013521	8	ChEMBL_154195 (CHEMBL760002)	In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells
50013521	3	ChEBML_153866	In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells
50013521	9	ChEMBL_153406 (CHEMBL764508)	In vitro binding affinity against human Peroxisome proliferator activated receptor alpha
50013521	7	ChEMBL_153883 (CHEMBL759405)	In vitro binding affinity against human Peroxisome proliferator activated receptor delta
50013521	6	ChEMBL_153397 (CHEMBL763850)	In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell
50013521	10	ChEMBL_153866 (CHEMBL759388)	In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells
50013521	1	ChEBML_154195	In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells
50013521	11	ChEMBL_154207 (CHEMBL759452)	In vitro binding affinity against human peroxisome proliferator activated receptor gamma
50013522	5	ChEBML_105519	In vitro inhibition of Matrix metalloprotein-9
50013522	6	ChEMBL_105520 (CHEMBL715229)	Inhibition of Matrix metalloprotein-9 at 10 uM
50001275	1	ChEBML_52085	Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17-alpha-hydroxylase/17,20 lyase was determined
50001275	2	ChEBML_50694	In vitro inhibition of human placental Cytochrome P450 19A1.
50001275	3	ChEMBL_52085 (CHEMBL663979)	Concentration required to inhibit 50% activity of rat testicular Cytochrome P450 steroid 17-alpha-hydroxylase/17,20 lyase was determined
50001275	4	ChEMBL_50694 (CHEMBL663239)	In vitro inhibition of human placental Cytochrome P450 19A1.
50001276	2	ChEMBL_209971 (CHEMBL873989)	Binding affinity against Thymidylate synthase was measured in vitro
50001276	4	ChEMBL_209804 (CHEMBL815670)	Concentration required for in vitro inhibition of thymidylate synthase
50001276	3	ChEBML_209971	Binding affinity against Thymidylate synthase was measured in vitro
50001276	1	ChEBML_55293	Inhibitory activity against Dihydrofolate reductase in rat liver
50035849	10	ChEMBL_201275 (CHEMBL804964)	Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP
50001277	1	ChEBML_209803	Concentration required to inhibit 50% activity of Thymidylate synthase was determined
50001278	1	ChEBML_209796	Inhibition of partially purified thymidylate synthase (TS)
50013871	2	ChEBML_104721	Inhibition of human matrix metalloprotease-3
50013871	1	ChEBML_104382	Inhibition of human matrix metalloprotease-2
50013875	3	ChEBML_157494	In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human; Moderately active
50013875	2	ChEMBL_157490 (CHEMBL765807)	In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi
50013875	5	ChEMBL_157493 (CHEMBL765810)	In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human
50013875	4	ChEMBL_157494 (CHEMBL878425)	In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human; Moderately active
50013875	1	ChEMBL_157491 (CHEMBL765808)	In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi; Moderately active
50013877	1	ChEBML_143843	Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]PYY as radioligand
50013878	1	ChEBML_41398	Inhibitory activity against Butyrylcholinesterase
50013878	2	ChEBML_27674	Inhibitory activity against acetylcholinesterase
50013880	3	ChEMBL_162430 (CHEMBL771833)	Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT
50013880	4	ChEBML_162430	Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT
50013880	6	ChEMBL_162429 (CHEMBL771832)	Inhibition of Protein-tyrosine phosphatase 1B in 2 mM DTT
50013883	1	ChEMBL_161787 (CHEMBL768161)	Inhibitory concentration against protein phosphatase 2A (PP2A) using pNPP assay
50013883	4	ChEBML_161756	Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay
50013883	3	ChEMBL_161757 (CHEMBL767318)	Inhibitory concentration against protein phosphatase 1 (PP1) using phosphorylase-a assay
50013885	9	ChEMBL_2115 (CHEMBL617150)	Binding affinity towards cloned human 5-hydroxytryptamine 2 receptor was determined
50013886	3	ChEMBL_143472 (CHEMBL751812)	Inhibitory activity evaluated in the HCV NS3 protease assay
50013886	2	ChEBML_158646	Inhibitory activity evaluated in the HCV protease binding assay
50013886	1	ChEBML_143472	Inhibitory activity evaluated in the HCV NS3 protease assay
50013582	1	ChEMBL_202631 (CHEMBL805895)	Inhibition of Src protein tyrosine kinase
50013582	5	ChEMBL_202630 (CHEMBL808216)	Inhibition of Src protein tyrosine kinase dependent cellular proliferation
50013582	4	ChEBML_202631	Inhibition of Src protein tyrosine kinase
50013583	2	ChEMBL_90112 (CHEMBL873229)	Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli
50035324	1	ChEBML_52680	Inhibitory concentration against Cyclin dependent kinase 1.
50013587	3	ChEMBL_162275 (CHEMBL770823)	Binding affinity towards recombinant human Protein-tyrosine phosphatase 1B was determined
50013588	28	ChEMBL_161116 (CHEMBL772748)	Displacement of [3H]-PDBu from protein kinase C epsilon-C1A domain
50013588	19	ChEBML_161435	Binding affinity for protein kinase C eta-C1B domain
50013588	21	ChEMBL_161436 (CHEMBL772570)	Displacement of [3H]PDBu from protein kinase C eta-C1B domain
50013588	10	ChEMBL_161305 (CHEMBL772113)	Binding affinity for protein kinase C gamma-C1A domain
50013588	29	ChEMBL_160449 (CHEMBL762480)	Displacement of [3H]PDBu from protein kinase C Alpha-C1B domain
50013588	4	ChEBML_160446	Binding affinity for protein kinase C Alpha-C1A domain
50013588	7	ChEMBL_160447 (CHEMBL762478)	Displacement of [3H]PDBu from protein kinase C Alpha-C1A domain
50013588	1	ChEMBL_160947 (CHEMBL769109)	Displacement of [3H]PDBu from protein kinase C Delta-C1B domain
50013588	23	ChEMBL_161435 (CHEMBL772569)	Binding affinity for protein kinase C eta-C1B domain
50013588	30	ChEMBL_160637 (CHEMBL768247)	Displacement of [3H]PDBu from protein kinase C Beta-C1A domain
50013588	5	ChEMBL_161308 (CHEMBL772116)	Displacement of [3H]-PDBu from protein kinase C gamma-C1B domain
50013588	3	ChEMBL_160446 (CHEMBL762316)	Binding affinity for protein kinase C Alpha-C1A domain
50013588	14	ChEMBL_161118 (CHEMBL772750)	Displacement of [3H]-PDBu from protein kinase C epsilon-C1B domain
50013588	2	ChEMBL_160946 (CHEMBL769108)	Binding affinity for protein kinase C Delta-C1B domain
50013588	12	ChEMBL_161117 (CHEMBL772749)	Binding affinity for protein kinase C epsilon-C1B domain
50013588	24	ChEMBL_160638 (CHEMBL768248)	Binding affinity for protein kinase C Beta-C1B domain
50013588	25	ChEMBL_160639 (CHEMBL768249)	Displacement of [3H]PDBu from protein kinase C Beta-C1B domain
50013588	13	ChEBML_161116	Displacement of [3H]-PDBu from protein kinase C epsilon-C1A domain
50013588	6	ChEMBL_161307 (CHEMBL772115)	Binding affinity for protein kinase C gamma-C1B domain
50013588	17	ChEBML_160638	Binding affinity for protein kinase C Beta-C1B domain
50013588	9	ChEMBL_160448 (CHEMBL762479)	Binding affinity for protein kinase C Alpha-C1B domain
50013588	31	ChEMBL_161306 (CHEMBL772114)	Displacement of [3H]PDBu from protein kinase C gamma-C1A domain
50013588	32	ChEMBL_161434 (CHEMBL772568)	Displacement of [3H]PDBu from protein kinase C eta-C1A domain
50013589	3	ChEBML_210612	Inhibitory concentration on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase
50013589	2	ChEMBL_210618 (CHEMBL811735)	Inhibitory concentration on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 2
50013589	5	ChEMBL_210613 (CHEMBL816579)	Inhibitory concentration on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase
50013589	4	ChEMBL_210612 (CHEMBL816578)	Inhibitory concentration on phosphorylation of [methyl-3H]-dTh by HSV-1 Thymidine Kinase
50013589	1	ChEMBL_210615 (CHEMBL815702)	Inhibitory concentration on phosphorylation of [methyl-3H]-dTh by human Thymidine Kinase 1
50013590	1	ChEBML_124004	Inhibitory concentration against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay
50013590	7	ChEMBL_99370 (CHEMBL709030)	Inhibition of Akt phosphorylation in LoVo cells
50013592	3	ChEMBL_31132 (CHEMBL643560)	Inhibitory concentration against adenosine kinase was determined in cell assay
50013592	2	ChEMBL_31131 (CHEMBL643559)	Inhibitory concentration against adenosine kinase was determined
50013592	1	ChEBML_31132	Inhibitory concentration against adenosine kinase was determined in cell assay
50035325	1	ChEBML_208218	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis
50035325	2	ChEMBL_208219 (CHEMBL816310)	Inhibitory activity against thymidine monophosphate kinase (TMPKmt) in Mycobacterium tuberculosis using HPLC chromatography test
50013594	3	ChEMBL_214243 (CHEMBL820211)	Inhibition of Vascular endothelial growth factor receptor 2
50013594	27	ChEMBL_43111 (CHEMBL653818)	Inhibition of Calcium/calmodulin-dependent protein kinase type II
50013594	15	ChEBML_160276	Inhibition of Protein kinase C alpha
50013594	5	ChEMBL_71266 (CHEMBL685260)	Inhibition of Glycogen synthase kinase-3 beta
50013594	2	ChEBML_50324	Inhibition of Cyclin-dependent kinase 1
50013594	14	ChEMBL_160598 (CHEMBL764570)	Inhibition of Protein kinase C beta 1
50013594	13	ChEBML_160783	Inhibition of Protein kinase C delta
50013594	24	ChEMBL_79564 (CHEMBL686884)	Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA
50013594	4	ChEBML_79564	Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA
50013594	11	ChEBML_90279	Inhibition of Insulin receptor kinase-beta
50013594	29	ChEMBL_160624 (CHEMBL768280)	Inhibition of Protein kinase C beta 2
50013594	20	ChEBML_161285	Inhibition of Protein kinase C gamma
50013594	17	ChEBML_160969	Inhibition of Protein kinase C epsilon
50013594	28	ChEMBL_158503 (CHEMBL765716)	Inhibition of Platelet-derived growth factor receptor
50013594	1	ChEMBL_67214 (CHEMBL677530)	Inhibition of Epidermal growth factor receptor
50013594	30	ChEMBL_71141 (CHEMBL686322)	Inhibition of Glycogen synthase kinase-3 beta
50013594	12	ChEBML_124154	Inhibition of Mitogen-activated protein kinase 1
50013596	3	ChEBML_202616	Inhibition of Src-mediated dentine resorption in rabbit-osteoclast assay
50013599	3	ChEBML_54531	In vitro inhibition of DNA-dependent protein kinase(DNA-PK) from HeLa (human carcinoma) cells.
50013599	1	ChEMBL_54532 (CHEMBL664849)	Affinity for DNA-dependent protein kinase(DNA-PK) from HeLa cell extract
50013600	2	ChEMBL_124485 (CHEMBL734089)	Inhibition of Mitogen-activated protein kinase p38 alpha
50013601	4	ChEMBL_158494 (CHEMBL764773)	Inhibition of Platelet-derived growth factor receptor
50013602	11	ChEMBL_158496 (CHEMBL765709)	Inhibition of Platelet-derived growth factor receptor
50001296	1	ChEBML_51022	In vitro inhibition of human placental cytochrome P450 19A1
50013602	10	ChEMBL_89136 (CHEMBL702352)	Inhibition of JNK, c-Jun N-terminal kinase
50013602	4	ChEBML_90271	Inhibition of Insulin receptor
50013603	1	ChEBML_124493	Rate of dissociation from Mitogen-activated protein kinase p38 alpha
50044075	4	ChEMBL_1337233 (CHEMBL3240641)	Binding affinity to human OX1 receptor in cell membrane by in vitro radioligand binding assay
50013603	5	ChEMBL_124494 (CHEMBL733330)	Rate of association to Mitogen-activated protein kinase p38 alpha
50013603	4	ChEMBL_124493 (CHEMBL733329)	Rate of dissociation from Mitogen-activated protein kinase p38 alpha
50013603	6	ChEMBL_124492 (CHEMBL733328)	Binding affinity for Mitogen-activated protein kinase p38 alpha
50013609	4	ChEMBL_153380 (CHEMBL763566)	Transcriptional activation activity on human T279M-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells
50013609	5	ChEMBL_153378 (CHEMBL763565)	Transcriptional activation activity on human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells
50013609	2	ChEBML_153380	Transcriptional activation activity on human T279M-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells
50013609	1	ChEMBL_153379 (CHEMBL882312)	Transcriptional activation activity on human I272F-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells
50013612	1	ChEMBL_210403 (CHEMBL814132)	Inhibitory activity against thermolysin using N-[3-(2-furyl)acryloyl]-Gly-l-leucineamide (FA-Gly-l-Leu-NH2) as substrate
50013612	2	ChEBML_210402	Inhibitory activity against thermolysin
50013614	2	ChEMBL_212320 (CHEMBL815006)	Inhibitory activity against Trypsin
50013614	1	ChEBML_212321	Inhibitory activity against Trypsin; Inactive
50013616	2	ChEMBL_66292 (CHEMBL678161)	Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12
50013616	1	ChEBML_66292	Inhibition of binding to Phe36Val (F36V) mutant of FK506 binding protein 12
50035327	4	ChEBML_154356	Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)
50035327	1	ChEMBL_153543 (CHEMBL766084)	Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay
50035327	6	ChEMBL_154354 (CHEMBL880951)	Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assay
50035327	3	ChEBML_153546	Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)
50035327	2	ChEMBL_154356 (CHEMBL759117)	Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma)
50013618	7	ChEMBL_164867 (CHEMBL772126)	Synergistic activation of BRL-49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay
50013618	2	ChEMBL_196750 (CHEMBL803331)	Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay
50013618	5	ChEMBL_196770 (CHEMBL798931)	Inhibition of 3[H]9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells
50013620	2	ChEMBL_90703 (CHEMBL702103)	In vitro inhibitory activity against HIV-1 integrase enzyme 3'-end processing
50013620	3	ChEMBL_90704 (CHEMBL702104)	In vitro inhibitory activity against HIV-1 integrase enzyme strand transfer process
50013620	1	ChEBML_90704	In vitro inhibitory activity against HIV-1 integrase enzyme strand transfer process
50013624	2	ChEMBL_69844 (CHEMBL681894)	Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase
50013624	1	ChEBML_69847	Binding affinity towards Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)
50013624	4	ChEMBL_69842 (CHEMBL681892)	Inhibitory concentration against Trypanosoma brucei farnesyl pyrophosphate synthase activity
50013624	3	ChEMBL_69843 (CHEMBL681893)	Inhibitory concentration against Trypanosoma brucei farnesyl pyrophosphate synthase activity
50013624	5	ChEMBL_69847 (CHEMBL680437)	Binding affinity towards Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)
50013624	6	ChEMBL_69845 (CHEMBL681895)	Binding affinity towards Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)
50013626	4	ChEMBL_212913 (CHEMBL873902)	Inhibition of human recombinant tumor necrosis factor-alpha converting enzyme.
50013626	5	ChEMBL_90056 (CHEMBL701927)	Inhibition of Tumor necrosis factor-alpha (TNF-alpha) release in human whole blood
50013626	3	ChEBML_212913	Inhibition of human recombinant tumor necrosis factor-alpha converting enzyme.
50013627	2	ChEBML_145469	Antagonistic activity against Opioid receptor delta 1
50013630	1	ChEMBL_154318 (CHEMBL762803)	Binding affinity towards Peptide deformylase
50013631	8	ChEMBL_62815 (CHEMBL674127)	In vitro inhibition of DA re-uptake into synaptosome
50013631	6	ChEMBL_142776 (CHEMBL750497)	In vitro inhibition of [3H]NE re-uptake into synaptosome
50013631	7	ChEMBL_62950 (CHEMBL675534)	Displacement of [3H]WIN-35428 from Dopamine transporter
50013631	3	ChEMBL_142778 (CHEMBL883548)	Displacement of [3H]-Nisoxetine from norepinephrine transporter
50013631	9	ChEMBL_142779 (CHEMBL750499)	Compound was tested for its ability to displace [3H]citalopram from norepinephrine transporter
50013631	1	ChEMBL_202161 (CHEMBL808864)	Displacement of [3H]-citalopram from Serotonin transporter
50013631	10	ChEMBL_202156 (CHEMBL808143)	In vitro ability of compound to inhibit 5-HT re-uptake of radiolabeled [3H]-tritium transmitter into synaptosome
50001310	4	ChEBML_69923	Concentration inhibiting GAR transformylase enzyme of Lactobacillus casei
50001310	8	ChEMBL_54598 (CHEMBL667321)	Concentration inhibiting dihydrofolate reductase derived from L1210 cells
50001310	2	ChEBML_209294	Concentration inhibiting thymidylate synthase enzyme of Lactobacillus casei
50001310	3	ChEBML_28412	Concentration inhibiting AICAR formyltransferase enzyme of Lactobacillus casei
50001310	5	ChEMBL_54117 (CHEMBL668275)	Inhibitory activity towards dihydrofolate reductase derived from human manca leukemia cells
50001310	6	ChEBML_54117	Inhibitory activity towards dihydrofolate reductase derived from human manca leukemia cells
50001310	10	ChEMBL_54590 (CHEMBL667313)	Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand
50013633	2	ChEBML_62108	Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration
50013633	7	ChEMBL_62108 (CHEMBL674986)	Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from recombinant human dopamine receptor D3 expressed in CHO cells at 0.5 nM concentration
50013633	8	ChEMBL_63102 (CHEMBL674495)	Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells
50013633	6	ChEBML_61801	Ability to displace [3H]spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human cloned dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration
50013633	9	ChEMBL_60196 (CHEMBL674339)	Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes
50001317	2	ChEBML_80664	In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholestyramine
50001317	1	ChEMBL_80346 (CHEMBL691974)	In vitro inhibitory activity against HMG-CoA reductase by employing a crude liver homogenate derived from rats fed a chow diet containing 5% cholestyramine
50001321	17	ChEMBL_216618 (CHEMBL819190)	Binding affinity against alpha-chymotrypsin
50001321	7	ChEBML_63628	Binding affinity against human Elastase for more active diasteriomer
50013633	5	ChEMBL_60054 (CHEMBL872881)	Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration
50013633	4	ChEBML_63102	Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells
50001321	13	ChEMBL_64822 (CHEMBL678403)	Binding affinity for porcine Elastase
50013633	3	ChEBML_60196	Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes
50013633	10	ChEMBL_60053 (CHEMBL671368)	Displacement of [3H]spiperone [0.5 nM (Kd=0.1 nM)] from human recombinant dopamine receptor D2L expressed in CHO cells
50001321	11	ChEMBL_45522 (CHEMBL661860)	Binding affinity against rat Cathepsin G
50001148	3	ChEMBL_147637 (CHEMBL757321)	Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors
50001321	10	ChEBML_64664	Binding affinity against human Neutrophil Elastase
50001321	8	ChEMBL_63627 (CHEMBL675338)	Binding affinity against human Elastase for less active diasteriomer
50013633	1	ChEMBL_61801 (CHEMBL670554)	Ability to displace [3H]spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human cloned dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration
50013635	4	ChEMBL_46475 (CHEMBL658115)	Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain membrane in the presence of PMSF
50013637	1	ChEMBL_71443 (CHEMBL685315)	Binding affinity towards monkey gonadotropin releasing hormone receptor
50013638	2	ChEBML_71593	Binding affinity towards human gonadotropin-releasing hormone receptor expressed in HEK293 cells
50013641	1	ChEBML_164125	Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.
50001326	1	ChEBML_80667	In vitro inhibition of rat liver HMG-CoA reductase
50001326	2	ChEBML_80478	Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]acetate into cholesterol.
50013645	2	ChEBML_155612	Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay
50013645	3	ChEMBL_155611 (CHEMBL766346)	Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined by inhibition of Urokinase-type plasminogen activator using primary assay
50013645	1	ChEMBL_155612 (CHEMBL766347)	Plasminogen Activator Inhibitor-1 (PAI-1) activity was determined using plasma clot lysis assay
50013646	1	ChEBML_51133	Compound was tested to inhibit Corticotropin releasing factor receptor 1-stimulated c-AMP production
50013646	2	ChEMBL_51133 (CHEMBL664194)	Compound was tested to inhibit Corticotropin releasing factor receptor 1-stimulated c-AMP production
50013646	3	ChEMBL_51120 (CHEMBL665733)	Binding affinity to the human corticotropin releasing factor receptor 1 expressed in HEK273 cells
50001334	6	ChEMBL_28425 (CHEMBL642468)	Triglutamyl homologue inhibition activity against AICAR formyltransferase was determined against L cell
50013647	2	ChEMBL_51135 (CHEMBL664196)	Inhibition of Corticotropin releasing factor receptor 1-stimulated cAMP production
50001334	15	ChEMBL_70825 (CHEMBL678861)	Inhibition activity against Glycinamide ribonucleotide transformylase (GAR-TFase) against L cell
50001334	3	ChEMBL_28426 (CHEMBL642469)	Inhibition activity against AICAR formyltransferase determined against L cell
50001334	11	ChEMBL_28414 (CHEMBL642458)	Inhibition activity against AICAR formyltransferase from hog liver
50013647	1	ChEBML_51134	Inhibition of (Corticotropin-Releasing Factor Receptor) CRF-stimulated cAMP production
50001334	1	ChEMBL_70826 (CHEMBL680252)	Inhibition activity against Glycinamide ribonucleotide transformylase (GAR-TFase) from L cell
50001334	13	ChEMBL_28417 (CHEMBL642461)	Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against MOLT-4
50013647	4	ChEMBL_51265 (CHEMBL664091)	Binding affinity towards Corticotropin releasing factor receptor 1 was measured through displacement of [125I]sauvagine expressed in HEK293 cells
50013648	1	ChEMBL_51136 (CHEMBL664364)	Inhibition of Corticotropin releasing factor receptor 1-stimulated cAMP production
50013648	4	ChEMBL_51117 (CHEMBL664963)	Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]o-CRF as the radioligand
50012740	5	ChEMBL_217960 (CHEMBL824079)	Inhibitory concentration against alphaV-beta3 integrin using vitronectin ELISA assay.
50012747	4	ChEBML_37636	In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in rat brain
50012747	3	ChEBML_38875	In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in monkey brain
50012750	1	ChEMBL_144774 (CHEMBL751441)	Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes
50012755	5	ChEBML_196753	Transcriptional activation in CV-1 cells expressing human Retinoid X receptor RXR-alpha
50012755	1	ChEMBL_196753 (CHEMBL803333)	Transcriptional activation in CV-1 cells expressing human Retinoid X receptor RXR-alpha
50012755	12	ChEMBL_197384 (CHEMBL799703)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha
50012755	4	ChEMBL_197062 (CHEMBL807509)	Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR beta
50012755	3	ChEMBL_195989 (CHEMBL807694)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR gamma
50012755	14	ChEBML_195488	Agonistic activity against Retinoic acid receptor RAR beta in CV-1 cells
50012755	8	ChEBML_197069	Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta
50012755	10	ChEMBL_195477 (CHEMBL798154)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR beta
50012755	17	ChEMBL_197092 (CHEMBL806021)	Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR alpha
50012755	7	ChEMBL_196754 (CHEMBL800543)	Transcriptional activation assay in CV-1 cells expressing human retinoid X receptor RXR alpha
50012755	18	ChEMBL_195491 (CHEMBL798913)	Inhibition of [3H]-ATRA binding to human Retinoic acid receptor RAR beta
50012755	19	ChEMBL_196005 (CHEMBL797869)	Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR gamma
50035331	11	ChEMBL_201320 (CHEMBL806170)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
50035331	8	ChEMBL_201328 (CHEMBL806177)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
50035331	7	ChEMBL_201456 (CHEMBL807601)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
50035331	3	ChEMBL_201313 (CHEMBL800920)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)
50013698	8	ChEMBL_37271 (CHEMBL656021)	Inhibitory activity against beta-galactosidase in bovine liver
50013698	7	ChEMBL_37275 (CHEMBL656025)	Inhibitory activity against beta-galactosidase in bovine liver
50013702	1	ChEBML_158968	In vitro inhibitory activity against HCMV (human cytomegalovirus) protease using scintillation proximity assay
50013709	2	ChEBML_69692	Inhibitory activity against Falcipain-2
50013709	3	ChEMBL_210992 (CHEMBL812106)	Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain
50013709	5	ChEMBL_197497 (CHEMBL805131)	Inhibitory activity against Trypanosoma brucei rhodesiense cysteine protease rhodesain
50041062	1	ChEBML_387	Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay
50041062	3	ChEMBL_386 (CHEMBL615439)	Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay
50013711	8	ChEMBL_153863 (CHEMBL759385)	In vitro activity in human Peroxisome proliferator activated receptor delta-transactivation assay
50013711	3	ChEBML_154208	In vitro binding affinity against human peroxisome proliferator activated receptor gamma
50013711	2	ChEMBL_154189 (CHEMBL762738)	In vitro activity in human peroxisome proliferator activated receptor gamma-transactivation assay
50013711	5	ChEBML_153536	In vitro binding affinity was tested towards human Peroxisome proliferator activated receptor alpha
50013711	7	ChEBML_153863	In vitro activity in human Peroxisome proliferator activated receptor delta-transactivation assay
50013711	6	ChEMBL_153388 (CHEMBL760608)	In vitro activity of compound in human Peroxisome proliferator activated receptor alpha-transactivation assay
50013711	1	ChEMBL_154026 (CHEMBL759296)	In vitro binding affinity was tested towards human Peroxisome proliferator activated receptor delta
50013711	9	ChEMBL_153536 (CHEMBL765405)	In vitro binding affinity was tested towards human Peroxisome proliferator activated receptor alpha
50013711	10	ChEMBL_154208 (CHEMBL759453)	In vitro binding affinity against human peroxisome proliferator activated receptor gamma
50013711	4	ChEMBL_153389 (CHEMBL760609)	In vitro activity in human Peroxisome proliferator activated receptor alpha-transactivation assay
50001343	1	ChEBML_54604	Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.
50001351	3	ChEBML_2051	Binding affinity was determined against 5-hydroxytryptamine 1E receptor in human cortical homogenate
50001351	5	ChEBML_1798	Binding affinity was determined against 5-hydroxytryptamine 1B receptor was determined in male Sprague-Dawley rat brain.
50001351	4	ChEBML_1144	Binding affinity was determined against 5-hydroxytryptamine 1A receptor was determined in male Sprague-Dawley rat brain.
50001351	1	ChEBML_1859	Binding affinity was determined against 5-hydroxytryptamine 1C receptor was determined in male Sprague-Dawley rat brain.
50001351	6	ChEBML_1640	Binding affinity was determined against 5-hydroxytryptamine 1D receptor in bovine caudate homogenate
50035334	1	ChEBML_41922	Binding affinity was determined towards C-C chemokine receptor type 3 using [125I]-labeled eotaxin as radioligand
50001352	1	ChEBML_78180	Inhibitory activity against HMG-CoA reductase
50001355	1	ChEBML_59422	Inhibitory activity was determined against bovine dopamine beta-hydroxylase (DBH)
50035334	4	ChEMBL_41922 (CHEMBL650504)	Binding affinity was determined towards C-C chemokine receptor type 3 using [125I]-labeled eotaxin as radioligand
50035334	3	ChEBML_41747	Binding affinity towards C-C chemokine receptor type 1
50013722	1	ChEMBL_215813 (CHEMBL820102)	Vanilloid receptor subtype 1 antagonist activity based on its ability to block capsaicin-induced (CAP) activation of the rat VR1 channel in a HEK293 cell line
50013722	2	ChEBML_215813	Vanilloid receptor subtype 1 antagonist activity based on its ability to block capsaicin-induced (CAP) activation of the rat VR1 channel in a HEK293 cell line
50013722	3	ChEMBL_215814 (CHEMBL820103)	Vanilloid receptor subtype 1 antagonist activity based on its ability to block low pH-induced activation of the rat VR1 channel in a HEK293 cell line
50001370	1	ChEBML_70671	Binding affinity against Gamma-amino-N-butyrate transaminase in pig brain
50001372	1	ChEMBL_204580 (CHEMBL814226)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Range is 700-900
50001374	4	ChEMBL_140964 (CHEMBL872431)	Inhibition of native form of chicken MLCK (myosin light chain kinase)
50001374	5	ChEBML_140966	Inhibition of native form of myosin light chain kinase from chicken gizzard
50001374	6	ChEMBL_140844 (CHEMBL750043)	Inhibition of calmodulin-independent form of myosin light chain kinase isolated from chicken gizzard.
50001374	2	ChEMBL_140963 (CHEMBL745129)	Inhibition of calmodulin-independent form of MLCK(myosin light chain kinase) from chicken gizzard
50001374	3	ChEMBL_140965 (CHEMBL745130)	Inhibition of native form of MLCK myosin light chain kinase from chicken gizzard
50001374	1	ChEMBL_140966 (CHEMBL745131)	Inhibition of native form of myosin light chain kinase from chicken gizzard
50001376	3	ChEBML_4286	Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)
50001376	4	ChEMBL_4286 (CHEMBL858253)	Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)
50001376	2	ChEMBL_4285 (CHEMBL618396)	In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)
50001376	1	ChEMBL_4284 (CHEMBL618395)	In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells(RBL-1)
50035335	3	ChEMBL_51920 (CHEMBL663568)	Inhibition of Cytochrome P450 3A4 with testosterone
50035335	6	ChEMBL_51919 (CHEMBL666749)	Inhibition of Cytochrome P450 3A4 with nifedipine
50035335	5	ChEMBL_51917 (CHEMBL663953)	Inhibition of Cytochrome P450 3A4 with midazolam (1'-OH)
50013750	2	ChEMBL_203042 (CHEMBL871854)	Inhibitory activity against Steroid sulfatase expressed in CHO cells
50013750	4	ChEMBL_203060 (CHEMBL811564)	Inhibitory constant against purified human Steroid sulfatase
50001384	2	ChEBML_3971	Inhibition of 5-lipoxygenase in rat RBL-1 cells
50001384	1	ChEBML_3820	Inhibitory activity against 5-lipoxygenase expressed from human polymorphonuclear cells
50013750	3	ChEMBL_203046 (CHEMBL814259)	Inhibitory activity against purified human Steroid sulfatase
50013750	1	ChEBML_203060	Inhibitory constant against purified human Steroid sulfatase
50035336	7	ChEMBL_208377 (CHEMBL813685)	Inhibitory activity against Escherichia coli phosphorylase
50035336	5	ChEMBL_208378 (CHEMBL813686)	Inhibitory activity against Escherichia coli thymidine phosphorylase
50035336	6	ChEMBL_208382 (CHEMBL813749)	Inhibitory activity against human thymidine phosphorylase
50035336	3	ChEMBL_208373 (CHEMBL813681)	Inhibitory activity against Escherichia coli thymidine phosphorylase
50013759	1	ChEBML_35875	In vitro inhibitory activity against uptake of [14C]taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codependent Bile Acid Transporter
50035337	3	ChEBML_106001	In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R)
50013779	16	ChEMBL_162217 (CHEMBL767225)	Inhibition of Protein kinase C
50013779	20	ChEMBL_52512 (CHEMBL665285)	Inhibition of Cyclin E-cyclin-dependent kinase 2
50013779	4	ChEBML_160104	Inhibition of Protein kinase C alpha
50013779	19	ChEMBL_52510 (CHEMBL665283)	Inhibition of Cyclin E-cyclin-dependent kinase 2
50042183	3	ChEMBL_213399 (CHEMBL818057)	Inhibition of CS-1 fragment binding to Very late antigen 4 (VLA-4) expressed in Ramos cells
50042183	4	ChEMBL_213400 (CHEMBL815267)	Inhibition of CS-1 fragment binding to Very late antigen 4 expressed in Ramos cells in 10% fetal bovine serum(FBS)
50013829	1	ChEMBL_41386 (CHEMBL653508)	Inhibitory activity against recombinant human Beta-secretase 1
50013829	3	ChEMBL_41385 (CHEMBL653507)	Inhibition of human Beta-secretase 1
50013834	2	ChEBML_926	Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]8-OH-DPAT as radioligand
50013834	3	ChEMBL_194030 (CHEMBL803538)	Affinity at the 5-HT reuptake site labeled with [3H]paroxetine using rat frontal cortex membranes
50013838	3	ChEBML_196715	Inhibitory activity against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase
50013838	2	ChEMBL_196714 (CHEMBL803317)	Inhibitory activity against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase
50013838	5	ChEMBL_196715 (CHEMBL803318)	Inhibitory activity against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase
50013838	1	ChEMBL_196740 (CHEMBL803151)	Inhibitory activity against human S-adenosyl-L-homocysteine hydrolase
50013839	2	ChEMBL_84819 (CHEMBL693506)	Binding affinity towards Heat shock protein HSP 90-alpha inhibitor
50013840	4	ChEMBL_124507 (CHEMBL735052)	Inhibitory activity against Mitogen-activated protein kinase p38 alpha
50013840	3	ChEBML_124653	Inhibitory activity against mitogen-activated protein kinase p38 beta
50013840	5	ChEMBL_124653 (CHEMBL737062)	Inhibitory activity against mitogen-activated protein kinase p38 beta
50013842	2	ChEMBL_51269 (CHEMBL665760)	Effective concentration against Corticotropin releasing factor receptor 2 in IMR-32 cells
50013844	20	ChEMBL_124332 (CHEMBL732888)	Inhibition of p38 kinase
50013844	18	ChEMBL_39723 (CHEMBL655988)	Inhibition of CD3/CD28 T-cell proliferation assay in PBL (peripheral blood lymphocytes)
50013846	1	ChEMBL_60515 (CHEMBL673343)	In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]SCH-23390 as radioligand
50013846	5	ChEMBL_60516 (CHEMBL879570)	In vivo inhibitory activity against dopamine (D1) receptor in rat caudate-putamen tissue
50013846	6	ChEMBL_61582 (CHEMBL675754)	In vivo binding affinity against dopamine (D2) receptor in rat caudate-putamen tissue using [3H]nemonapride as radioligand
50013847	6	ChEMBL_214400 (CHEMBL881932)	Inhibition of vasopressin induced calcium immobilization in human V1a receptor expressing cells
50013847	5	ChEBML_214700	Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells
50013847	3	ChEMBL_214395 (CHEMBL819416)	Ability to displace [3H]arginine vasopressin in cloned human V1a receptor
50013847	4	ChEMBL_214700 (CHEMBL817835)	Inhibition of vasopressin induced cAMP accumulation in human V2 receptor expressing cells
50013847	7	ChEMBL_214695 (CHEMBL816920)	Ability to displace [3H]arginine vasopressin in cloned human V2 receptor
50041065	3	ChEMBL_147423 (CHEMBL872631)	In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.
50035339	1	ChEMBL_147427 (CHEMBL754460)	Antagonistic activity against P2X7 receptor
50013853	1	ChEMBL_44520 (CHEMBL656170)	In vitro agonistic activity against PPAR gamma along with 100 nM BRL-49653
50013853	2	ChEBML_44518	In vitro agonistic activity against RXR alpha in CV-1 cells
50013853	4	ChEMBL_44523 (CHEMBL656173)	In vitro antagonist activity against RXR alpha in CV-1 cells
50013853	7	ChEBML_44517	In vitro agonist efficacy against PPAR gamma along with 100 nM BRL-49653
50013853	12	ChEMBL_44518 (CHEMBL658542)	In vitro agonistic activity against RXR alpha in CV-1 cells
50013853	13	ChEMBL_196626 (CHEMBL798016)	Binding affinity against RXR alpha receptor using [3H]9-cis-RA as radioligand in CV-1 cells
50013853	14	ChEMBL_44517 (CHEMBL658541)	In vitro agonist efficacy against PPAR gamma along with 100 nM BRL-49653
50013858	4	ChEMBL_141734 (CHEMBL749247)	Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.
50035340	12	ChEMBL_61650 (CHEMBL670174)	Displacement of [125I]RT155 binding in HEK cells expressing human DAT
50035340	13	ChEMBL_142608 (CHEMBL751147)	Displacement of [125I]RT155 binding in HEK cells expressing human NET
50035340	14	ChEMBL_201364 (CHEMBL805347)	Displacement of [125I]RT155 binding in HEK cells expressing human SERT
50035340	2	ChEBML_142608	Displacement of [125I]RT155 binding in HEK cells expressing human NET
50035340	10	ChEMBL_3528 (CHEMBL619198)	Inhibition of [3H]5-HT uptake in HEK cells expressing human SERT
50035340	6	ChEBML_61650	Displacement of [125I]RT155 binding in HEK cells expressing human DAT
50035340	9	ChEMBL_3529 (CHEMBL875081)	Inhibition of [3H]5-HT uptake in HEK cells expressing human SERT
50035340	11	ChEMBL_60180 (CHEMBL879564)	Inhibition of [3H]dopamine uptake in HEK cells expressing human DAT
50035340	4	ChEMBL_142799 (CHEMBL751372)	Inhibition of [3H]norepinephrine uptake in HEK cells expressing human NET
50001411	1	ChEBML_4069	Evaluated for inhibition of the formation and release of 5-lipoxygenase in isolated guinea pig ileum
50013944	2	ChEMBL_41389 (CHEMBL653511)	Inhibitory activity against Beta-secretase 1 was determined
50041066	2	ChEMBL_217806 (CHEMBL823262)	Displacement of [125I]-labeled nonpeptide from purified recombinant human alphaV-beta3 integrin
50013948	6	ChEBML_105545	Inhibition of matrix metalloprotease-9 (MMP-9)
50013949	4	ChEBML_105546	Inhibitory activity against matrix metalloprotease-9 (MMP-9)
50001429	1	ChEBML_201924	Inhibition of pig liver squalene epoxidase
50001430	1	ChEBML_29626	Inhibition of [3H]CHA binding to Adenosine A1 receptor in rat brain membranes
50001436	1	ChEBML_52357	Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes
50001436	4	ChEMBL_52225 (CHEMBL666489)	Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.
50001436	2	ChEMBL_52227 (CHEMBL666491)	Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes.
50035341	6	ChEMBL_203036 (CHEMBL812970)	Inhibition of human STS in keratinocytes
50035341	2	ChEMBL_203043 (CHEMBL814256)	Inhibitory activity against human steroid sulfatase expressing in CHO cells
50035341	3	ChEMBL_203044 (CHEMBL814257)	Inhibitory activity against human steroid sulfatase in fibroblasts
50001437	1	ChEBML_214470	Apparent kinetic constant for Vitamin K epoxide reductase
50035341	8	ChEMBL_203041 (CHEMBL814255)	Inhibitory activity against STS in human MCF-7 breast cancer cells
50035341	7	ChEMBL_203045 (CHEMBL814258)	Inhibitory activity against human steroid sulfatase in sebocytes
50013956	1	ChEBML_90554	Inhibitory activity against HIV-1 integrase
50035342	3	ChEMBL_41375 (CHEMBL653498)	Inhibition of human beta-secretase
50035342	2	ChEMBL_41377 (CHEMBL653500)	Inhibitory activity against human brain beta-APP (amyloid precursor protein) cleaving enzyme Beta-secretase
50013958	2	ChEBML_106329	Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors
50013958	1	ChEMBL_106325 (CHEMBL709896)	Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SPA assay
50013961	3	ChEMBL_208099 (CHEMBL814455)	Dissociation constant for TGF-beta receptor type I
50013963	6	ChEMBL_70122 (CHEMBL681807)	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase
50001445	2	ChEBML_59420	Inhibitory activity against bovine adrenal dopamine beta-hydroxylase (DBH)
50001445	1	ChEMBL_59421 (CHEMBL671224)	Inhibitory activity against bovine adrenal dopamine beta-hydroxylase (DBH)
50013963	4	ChEMBL_71987 (CHEMBL683539)	Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]GGPP into biotinYRASNRSCAIL peptide
50013963	3	ChEBML_70122	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase
50013972	3	ChEMBL_1724 (CHEMBL616929)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)
50013974	10	ChEMBL_220588 (CHEMBL841867)	Binding affinity towards Imidazoline I2 receptor
50013974	39	ChEMBL_33351 (CHEMBL646281)	Binding affinity towards Alpha-2B adrenergic receptor
50013974	23	ChEMBL_2637 (CHEMBL618693)	Binding affinity towards 5-hydroxytryptamine 2A receptor
50013974	7	ChEMBL_2642 (CHEMBL618697)	Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor by [3H]ketanserin displacement.
50013974	38	ChEMBL_60181 (CHEMBL675880)	Binding affinity towards Dopamine receptor
50013974	36	ChEMBL_105564 (CHEMBL711160)	Binding affinity towards Glutamate (rPCP) receptor
50013974	6	ChEMBL_2643 (CHEMBL618892)	Binding affinity towards cloned rat Inhibition of binding towards 5-hydroxytryptamine 2A receptor at 100 nM concentration was determined using [3H]DOB as radioligand
50013974	15	ChEBML_38638	Binding affinity towards Beta-2A adrenergic receptor
50013974	8	ChEMBL_2640 (CHEMBL618695)	Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]DOB
50013974	37	ChEMBL_140140 (CHEMBL749189)	Binding affinity towards Muscarinic acetylcholine receptor
50013974	12	ChEBML_220588	Binding affinity towards Imidazoline I2 receptor
50013974	34	ChEMBL_140138 (CHEMBL749187)	Binding affinity towards Muscarinic acetylcholine receptor
50013974	35	ChEMBL_140139 (CHEMBL749188)	Binding affinity towards Muscarinic receptor
50035345	1	ChEMBL_106340 (CHEMBL713795)	Concentration required to inhibit binding of [125I]-NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-4-receptor (MC4R)
50035345	2	ChEMBL_106183 (CHEMBL714602)	Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R
50035345	3	ChEBML_106008	Concentration required to inhibit binding of [125I]NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-3-receptor (MC3R)
50035346	4	ChEBML_145607	Inhibition of [3H]diprenorphine binding to the cloned human delta opioid receptors using 10 uM concentration of the compound
50035346	1	ChEMBL_148237 (CHEMBL753397)	Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor
50035346	2	ChEBML_148068	Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containing the cloned human mu opioid receptor
50035346	7	ChEMBL_148068 (CHEMBL754686)	Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containing the cloned human mu opioid receptor
50035346	5	ChEMBL_145607 (CHEMBL749750)	Inhibition of [3H]diprenorphine binding to the cloned human delta opioid receptors using 10 uM concentration of the compound
50001455	1	ChEBML_147806	In vitro inhibitory activity against Ornithine Decarboxylase (ODC) isolated from the livers of thioactamide treated rats.
50013983	1	ChEMBL_211945 (CHEMBL816535)	Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.
50013989	5	ChEMBL_52521 (CHEMBL665294)	In vitro inhibition of cystolic phospholipase A2 alpha.
50013989	2	ChEBML_52418	Inhibitory concentration against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay
50013989	3	ChEBML_99664	Inhibitory concentration against LTB4 receptor determined in human neutrophils PMN assay
50013989	4	ChEMBL_99665 (CHEMBL705073)	Inhibitory concentration against LTB4 receptor determined in mast cell line MC-9 assay
50013989	1	ChEMBL_52522 (CHEMBL665295)	Inhibitory concentration against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay
50001466	11	ChEBML_872	Displacement of [3H]8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor
50001466	4	ChEBML_1768	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1B receptor of rat substantia nigra
50001466	5	ChEBML_1845	inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]mesulergine as the radioligand
50001466	13	ChEMBL_1845 (CHEMBL616816)	inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]mesulergine as the radioligand
50001466	3	ChEMBL_1768 (CHEMBL832876)	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1B receptor of rat substantia nigra
50001466	6	ChEBML_1972	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1D receptor of rat substantia nigra
50001466	10	ChEBML_1633	Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]5-HT as the radioligand
50001466	12	ChEMBL_604 (CHEMBL615473)	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1A receptor of guinea pig hippocampus
50001466	15	ChEMBL_1903 (CHEMBL616499)	Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 2 receptor of rat anterior cortex using [3H]ketanserin as the radioligand
50001466	14	ChEBML_604	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1A receptor of guinea pig hippocampus
50001466	8	ChEBML_1668	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1D receptor of guinea pig substantia nigra
50001466	9	ChEMBL_1634 (CHEMBL616520)	Inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]5-HT as the radioligand
50001466	7	ChEMBL_1781 (CHEMBL616755)	Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]5-HT as the radioligand.
50035348	4	ChEMBL_106722 (CHEMBL715728)	In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in cytosolic [Ca2+] concentration
50035348	3	ChEMBL_106718 (CHEMBL715724)	Binding affinity towards human mGlu5 receptors expressed in LtK-cells
50012820	5	ChEMBL_210505 (CHEMBL811900)	Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor
50012820	2	ChEMBL_210497 (CHEMBL811713)	Effective concentration binding towards TR-beta-1 in E25B2 cells (agonistic activity)
50012828	1	ChEMBL_39509 (CHEMBL654654)	Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes
50012828	2	ChEBML_85861	Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
50001474	2	ChEMBL_154223 (CHEMBL759468)	Ability to displace [3H]- TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.
50001474	1	ChEBML_154224	Ability to displace [3H]TCP from PCP receptor in tissue homogenate preparation of fresh whole rat brain minus cerebellum.
50035349	1	ChEMBL_62952 (CHEMBL675536)	Inhibition of [3H]DA uptake evaluated at the dopamine transporter
50035349	7	ChEMBL_142780 (CHEMBL750500)	Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)
50035349	8	ChEMBL_62820 (CHEMBL678069)	Affinity to displace binding of [3H]WIN-35428 to dopamine transporter
50035350	5	ChEMBL_146237 (CHEMBL755005)	Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM U69,593 as the agonist ligand for kappa-receptor)
50035350	6	ChEBML_147012	Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM SNC-80 as the agonist ligand for delta-receptor)
50035350	3	ChEBML_146504	Binding affinity for kappa opioid receptor was measured using [3H]U-69593
50035350	7	ChEMBL_145142 (CHEMBL755287)	Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for mu-receptor)
50035350	4	ChEBML_145141	Antagonist activity on agonist stimulated [35S]GTP-gamma-S, binding in guinea pig caudate membranes (10 uM DAMGO as the agonist ligand for Mu-receptor)
50035350	8	ChEMBL_146504 (CHEMBL754613)	Binding affinity for kappa opioid receptor was measured using [3H]U-69593
50012852	4	ChEMBL_89814 (CHEMBL698781)	Inhibition of human inosine monophosphate dehydrogenase IMPDH II
50012856	6	ChEMBL_69681 (CHEMBL856169)	Inhibitory concentration to factor Xa
50012857	1	ChEMBL_39626 (CHEMBL649933)	Inhibition of 0.1 nM of MIP-1beta induced migration of recombinant mouse pro-B cell line BA/F3 expressing human CCR5
50012857	7	ChEMBL_138182 (CHEMBL749203)	Binding affinity towards muscarinic receptor M2
50012957	3	ChEBML_158604	In vitro inhibitory activity against sensitive U-937 microsomal prostaglandin G/H synthase 1
50012957	1	ChEBML_159737	In vitro inhibitory activity against prostaglandin G/H synthase 2 stably transfected in Chinese hamster ovary (CHO) cells
50012957	2	ChEMBL_159738 (CHEMBL762902)	In vitro inhibitory activity against prostaglandin G/H synthase 2 stably transfected in Human whole blood (HWB) cell
50012957	4	ChEMBL_159737 (CHEMBL763938)	In vitro inhibitory activity against prostaglandin G/H synthase 2 stably transfected in Chinese hamster ovary (CHO) cells
50012960	3	ChEMBL_80788 (CHEMBL857638)	In vitro antiproliferative activity of compound against HT-29 (human colon caner ) cell line was determined by SRB assay
50012960	2	ChEMBL_210223 (CHEMBL816664)	In vitro inhibitory activity of compound against telomerase (Acc Gerons data)
50012964	1	ChEBML_201820	Binding affinity at serotonin transporter from rat caudate-putamen tissue by [3H]WIN-35428 displacement.
50012964	2	ChEBML_62788	Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]WIN-35428 displacement.
50012967	5	ChEMBL_106351 (CHEMBL713805)	Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells
50012967	7	ChEMBL_106182 (CHEMBL714601)	Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM
50012967	2	ChEMBL_105836 (CHEMBL716495)	Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells
50012967	1	ChEBML_106182	Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM
50012967	8	ChEMBL_105821 (CHEMBL717821)	Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation
50012967	3	ChEBML_105836	Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells
50012969	1	ChEBML_158587	Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation
50035353	1	ChEBML_69660	Equilibrium dissociation constant of factor Xa inhibition
50035353	2	ChEMBL_69660 (CHEMBL681852)	Equilibrium dissociation constant of factor Xa inhibition
50043998	8	ChEMBL_141291 (CHEMBL747358)	Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells
50043998	5	ChEMBL_141289 (CHEMBL747356)	Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2A expressing cells
50035893	3	ChEMBL_215036 (CHEMBL820886)	Binding affinity against Vasopressin receptor in rat kidney medulla
50035893	4	ChEMBL_215037 (CHEMBL881616)	Binding affinity against Vasopressin receptor in rat liver
50001488	1	ChEBML_62870	In vitro binding affinity against dopamine receptor D2 in rat striata; value ranges from 1.8-3.0 nM
50043998	7	ChEMBL_141290 (CHEMBL747357)	Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells
50043998	6	ChEMBL_141288 (CHEMBL747355)	Inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells
50001490	2	ChEMBL_48 (CHEMBL615172)	Inhibition of 17-alpha-hydroxylase/17,20 lyase from rat testes microsomal preparation
50012976	3	ChEMBL_141036 (CHEMBL749390)	Inhibition of the response to NMDA glutamate/glycine receptor NR2B subtype was determined using FLIPR assay
50001490	7	ChEMBL_210241 (CHEMBL809269)	Inhibition of rat testosterone-5 alpha-reductase activity at pH 6.6 from rat
50012976	2	ChEBML_141156	Binding affinity towards human NR2B receptor
50001490	6	ChEMBL_47 (CHEMBL615159)	Inhibition of 17-alpha-hydroxylase/17,20 lyase from rat testes microsomal preparation
50012976	5	ChEMBL_141157 (CHEMBL749675)	Displacement of NMDA receptor-specific [3H]ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells
50001490	10	ChEMBL_210247 (CHEMBL883487)	Binding constant of Testosterone-5 alpha-reductase activity at pH 7.4
50001491	1	ChEBML_209596	Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.
50001491	2	ChEMBL_209596 (CHEMBL814731)	Binding affinity was determined from the inhibition of [3H]-SQ 29,548 binding to Thromboxane A2 receptor in human platelet membranes.
50001494	6	ChEMBL_212351 (CHEMBL816798)	Inhibitory concentration which is required to cause 50% inhibition of bovine trypsin (Trp)
50001494	10	ChEMBL_63806 (CHEMBL676197)	Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme
50001494	5	ChEMBL_216458 (CHEMBL818529)	Inhibitory concentration which is required to cause 50% inhibition of alpha-chymotrypsin enzyme
50001494	1	ChEBML_63806	Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme
50001494	3	ChEBML_212350	Inhibitory concentration which is required to cause 50% inhibition of Trypsin
50012976	1	ChEMBL_141156 (CHEMBL749674)	Binding affinity towards human NR2B receptor
50001495	1	ChEBML_63651	In vitro inhibition of Human Leukocyte Elastase (HLE)
50001496	2	ChEBML_63658	In vitro inhibitory activity against human leukocyte elastase (HLE)
50001496	3	ChEMBL_63658 (CHEMBL675715)	In vitro inhibitory activity against human leukocyte elastase (HLE)
50001496	1	ChEMBL_63983 (CHEMBL677609)	In vitro inhibitory activity against human leukocyte elastase (HLE)
50012977	6	ChEMBL_34449 (CHEMBL651981)	Displacement of [3H]prazosin from alpha-1 adrenergic receptor of rat brain homogenate
50012978	2	ChEMBL_39653 (CHEMBL650747)	Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay
50012980	1	ChEMBL_90713 (CHEMBL702112)	Inhibition of HIV-1 integrase in coupled transfer assay
50012980	2	ChEBML_90713	Inhibition of HIV-1 integrase in coupled transfer assay
50012980	3	ChEMBL_90714 (CHEMBL702113)	Inhibition of HIV-1 integrase in strand transfer assay
50012982	3	ChEMBL_48972 (CHEMBL663502)	In vitro inhibitory activity against factor Xa
50012982	15	ChEMBL_49129 (CHEMBL660269)	In vitro binding affinity towards factor Xa
50012982	2	ChEMBL_48999 (CHEMBL662880)	In vitro binding affinity towards factor Xa
50012982	16	ChEMBL_48985 (CHEMBL875895)	In vitro binding affinity towards factor Xa
50001508	1	ChEBML_50692	Inhibition of Cytochrome P450 19A1 in human placenta
50012982	14	ChEMBL_49131 (CHEMBL660271)	In vitro binding affinity towards factor Xa
50001510	1	ChEBML_195779	In vitro inhibitory activity against human renal renin using radioimmunoassay for angiotensin I production
50043999	2	ChEMBL_143558 (CHEMBL755330)	Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.
50001512	2	ChEMBL_60352 (CHEMBL671941)	Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes
50001512	4	ChEMBL_60198 (CHEMBL673360)	Ability to inhibit the dopamine-stimulated adenylate-cyclase activity in dispersed cells of bovine parathyroid gland
50001512	1	ChEBML_60352	Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes
50001512	5	ChEMBL_60197 (CHEMBL674340)	Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of calf parathyroid gland
50035854	7	ChEMBL_75908 (CHEMBL686428)	The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase
50001513	3	ChEBML_61571	In vitro binding affinity towards rat Dopamine receptor D2 by [3H]spiperone displacement.
50001513	2	ChEBML_58328	In vitro binding affinity towards rat Dopamine receptor D1 by [3H]SCH-23390 displacement.
50001514	2	ChEBML_192730	The compound was tested in vitro for inhibitory activity against Renin in monkey plasma
50001514	1	ChEMBL_192730 (CHEMBL801757)	The compound was tested in vitro for inhibitory activity against Renin in monkey plasma
50001514	3	ChEMBL_196105 (CHEMBL804789)	Inhibitory activity against human renin
50012986	1	ChEBML_155034	Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in Sf9 cells.
50012989	2	ChEMBL_214716 (CHEMBL815214)	Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK293 cells.
50012989	6	ChEMBL_214702 (CHEMBL817837)	Displacement of [3H]AVP from human V2 receptors expressed in HEK293 cells
50012991	1	ChEBML_155352	Inhibitory activity against PDE5 from human corpus cavernosum
50012991	2	ChEMBL_155204 (CHEMBL762821)	Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum
50001523	2	ChEBML_214690	Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]AVP as a radioligand
50001523	5	ChEMBL_214381 (CHEMBL881107)	Binding affinity against plasma membrane from rat liver using [3H]-AVP as a radioligand
50001523	4	ChEMBL_214382 (CHEMBL821113)	Binding affinity against plasma membrane from rat liver
50001523	3	ChEMBL_214691 (CHEMBL817654)	Binding affinity against plasma membrane from bovine kidney inner medulla
50001523	6	ChEMBL_214690 (CHEMBL817653)	Binding affinity against plasma membrane from bovine kidney inner medulla using [3H]AVP as a radioligand
50012992	3	ChEBML_61123	Binding affinity towards DA D2 receptor using [3H]N-methyl-spiperone as radioligand.
50012992	4	ChEMBL_2457 (CHEMBL617346)	Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand.
50012992	1	ChEBML_3047	Binding affinity towards 5-hydroxytryptamine 2C receptor using [125I]DOI as radioligand.
50012992	5	ChEMBL_61123 (CHEMBL672312)	Binding affinity towards DA D2 receptor using [3H]N-methyl-spiperone as radioligand.
50012901	1	ChEBML_143487	Inhibitory activity hepatitis C virus NS3 protease.
50001532	2	ChEBML_54440	Compound was tested for its ability to inhibit dihydrofolate reductase purified from murine L1210 cells
50001532	1	ChEBML_210301	Compound was tested for its ability to inhibit thymidylate synthetase isolated from MTX-resistant Lactobacillus casei
50001537	1	ChEBML_205660	Compound was evaluated for the histamine releasing activity of the Substance P from isolated rat peritoneal mast cells using the procedure of Fretwell et al
50001539	1	ChEMBL_138471 (CHEMBL747461)	Compound was evaluated for effective dose against Muscular receptor in guinea pig ileum
50001539	2	ChEMBL_138472 (CHEMBL747462)	Compound was evaluated for effective dose against muscular receptor in guinea pig ileum
50001539	3	ChEMBL_143533 (CHEMBL755291)	Compound was evaluated for effective dose against Neuronal receptor in guinea pig ileum
50001539	5	ChEMBL_143534 (CHEMBL883402)	Compound was evaluated for effective dose against neuronal receptor in guinea pig ileum
50001542	3	ChEBML_42910	Reduction in amplitude of calcium-dependent slow-response action potential by blocking voltage sensitive calcium channel
50001542	1	ChEMBL_42759 (CHEMBL653729)	Inhibition of [3H]nitrendipine binding to calcium channels of guinea pig myocardium
50001542	2	ChEBML_42759	Inhibition of [3H]nitrendipine binding to calcium channels of guinea pig myocardium
50042185	3	ChEMBL_213380 (CHEMBL818163)	Inhibition of VLA-4 to VCAM-1 binding
50042185	4	ChEMBL_213379 (CHEMBL818162)	Inhibition of VLA-4 to VCAM-1 binding in Jurkat cell adhesion assay
50001547	1	ChEBML_49556	Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membranes at a KD concentration of 4.4 nM
50035356	3	ChEBML_30018	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane
50035356	6	ChEMBL_29472 (CHEMBL642201)	Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane
50035356	7	ChEMBL_32003 (CHEMBL646600)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)
50035356	5	ChEBML_30475	Binding affinity for rat Adenosine A3 receptor
50035359	1	ChEMBL_60364 (CHEMBL672099)	In vitro binding affinity to displace [3H]-spiperone from the cloned human dopamine receptor D2 short in CHO cells
50035359	10	ChEMBL_60695 (CHEMBL676505)	In vitro ability to displace [3H]spiperone from the cloned human dopamine D4 receptor expressed in CHO cells
50035359	3	ChEMBL_60368 (CHEMBL672103)	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D2 short in CHO cells
50035359	6	ChEBML_60363	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D2 long in CHO cells
50035359	7	ChEMBL_60232 (CHEMBL672801)	In vitro ability to displace [3H]spiperone from the cloned human dopamine D2 long receptor expressed in CHO cells
50035359	12	ChEMBL_60233 (CHEMBL671415)	In vitro ability to displace [3H]spiperone from the cloned human dopamine D2 short receptor expressed in CHO cells
50035359	15	ChEMBL_60363 (CHEMBL672098)	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D2 long in CHO cells
50035361	1	ChEBML_96915	Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase
50035361	2	ChEMBL_96915 (CHEMBL707894)	Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase
50012929	4	ChEMBL_153242 (CHEMBL764654)	Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor
50012929	2	ChEBML_154053	Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor
50012929	7	ChEMBL_154361 (CHEMBL756623)	In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)
50012929	1	ChEMBL_154053 (CHEMBL760858)	Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor
50012929	3	ChEBML_153549	In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)
50012929	8	ChEMBL_153549 (CHEMBL766090)	In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)
50012929	6	ChEMBL_153722 (CHEMBL762050)	Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor
50012929	5	ChEBML_154031	In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)
50001558	1	ChEMBL_55082 (CHEMBL663895)	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 5)
50001558	6	ChEMBL_55083 (CHEMBL663896)	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 6)
50001558	4	ChEMBL_55081 (CHEMBL663894)	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 4)
50001558	3	ChEMBL_55080 (CHEMBL663893)	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 3)
50001558	2	ChEBML_55079	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2)
50001558	5	ChEMBL_55079 (CHEMBL663892)	Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2)
50041068	2	ChEMBL_143714 (CHEMBL753465)	Binding affinity towards alpha4-beta2 nicotinic receptor was determined in rat brain membrane using [3H]cytisine as radioligand
50035364	2	ChEMBL_90532 (CHEMBL700602)	Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA
50001573	5	ChEMBL_49399 (CHEMBL658761)	The compound was tested for the inhibition of [3H]propionyl specific binding to CCK-8 receptor of guinea pig pancreatic membrane
50001573	2	ChEMBL_49398 (CHEMBL658760)	The compound was tested for the inhibition of [3H]propionyl specific binding to CCK-8 receptor of guinea pig brain
50001573	3	ChEMBL_49395 (CHEMBL658757)	The compound was tested for the inhibition of [3H]propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane
50001573	4	ChEMBL_49394 (CHEMBL658756)	The compound was tested for the inhibition of [3H]propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain
50001574	1	ChEBML_4054	Inhibitory activity against 5-lipoxygenase in guinea pig leukocyte
50012999	5	ChEMBL_212863 (CHEMBL878974)	Inhibitory activity against trypsin using human purified enzyme
50012999	6	ChEMBL_69666 (CHEMBL682004)	Inhibitory activity against factor Xa using human purified enzyme.
50012999	1	ChEBML_69674	Inhibitory activity against Rabbit factor Xa was determined
50012999	2	ChEMBL_69674 (CHEMBL682012)	Inhibitory activity against Rabbit factor Xa was determined
50012999	4	ChEBML_208506	Inhibitory activity against thrombin using human purified enzyme
50012999	7	ChEMBL_208506 (CHEMBL811979)	Inhibitory activity against thrombin using human purified enzyme
50012999	3	ChEBML_212863	Inhibitory activity against trypsin using human purified enzyme
50001580	1	ChEBML_195663	Inhibitory effect on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer
50001580	3	ChEMBL_195663 (CHEMBL800047)	Inhibitory effect on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer
50001580	2	ChEMBL_195664 (CHEMBL800048)	Inhibitory effect on HIV-1 reverse transcriptase activity using poly(rC)-oligo(dG) template primer
50035365	1	ChEMBL_147666 (CHEMBL756580)	Binding affinity towards non-selective opiate receptor
50035365	3	ChEMBL_147664 (CHEMBL756578)	Inhibitory activity against non-selective opiate receptor
50035365	2	ChEBML_147666	Binding affinity towards non-selective opiate receptor
50013006	4	ChEMBL_101018 (CHEMBL708029)	Inhibitory activity against recombinant human Lp-PLA2 by mechanistic studies
50013006	6	ChEMBL_101008 (CHEMBL707410)	Inhibitory activity against recombinant human Lp-PLA2
50041069	2	ChEMBL_214767 (CHEMBL816225)	Binding affinity towards vitronectin receptor (alpha V-beta3) was determined
50013015	1	ChEBML_143488	Inhibitory concentration against HCV NS3 protease was determined
50001585	29	ChEMBL_32070 (CHEMBL645981)	Inhibition of aldose reductase from rat lens. Value ranges from 16 - 360
50001585	18	ChEMBL_31948 (CHEMBL640410)	Inhibition of aldose reductase from rat lens. Value ranges from 0.6 - 47
50001585	32	ChEMBL_32073 (CHEMBL645984)	Inhibition of aldose reductase from rat lens. Value ranges from 25-64
50001585	16	ChEMBL_32084 (CHEMBL643661)	Inhibition of aldose reductase from rat lens. Value ranges from 6 - 14
50001585	19	ChEMBL_31947 (CHEMBL640409)	Inhibition of aldose reductase from rat lens. Value ranges from 0.5 - 16
50001585	4	ChEMBL_31951 (CHEMBL640504)	Inhibition of aldose reductase from rat lens. Value ranges from 10 - 130
50001585	20	ChEMBL_31946 (CHEMBL640408)	Inhibition of aldose reductase from rat lens. Value ranges from 0.3 - 2.3
50001585	11	ChEMBL_32082 (CHEMBL643659)	Inhibition of aldose reductase from rat lens. Value ranges from 5 - 97
50001585	31	ChEMBL_32072 (CHEMBL645983)	Inhibition of aldose reductase from rat lens. Value ranges from 20 - 160
50001585	28	ChEMBL_32078 (CHEMBL645989)	Inhibition of aldose reductase from rat lens. Value ranges from 32 - 110
50001585	22	ChEMBL_31944 (CHEMBL640406)	Inhibition of aldose reductase from rat lens. Value ranges from 0.1 - 7
50001585	17	ChEMBL_31949 (CHEMBL640502)	Inhibition of aldose reductase from rat lens. Value ranges from 1.0 - 34
50001585	3	ChEMBL_32088 (CHEMBL643664)	Inhibition of aldose reductase from rat lens. Value ranges from 9 - 69
50001585	5	ChEMBL_31950 (CHEMBL640503)	Inhibition of aldose reductase from rat lens. Value ranges from 1.5 - 16
50001585	6	ChEMBL_32087 (CHEMBL643663)	Inhibition of aldose reductase from rat lens. Value ranges from 8.5 - 410
50001585	7	ChEMBL_32069 (CHEMBL884117)	Inhibition of aldose reductase from rat lens. Value ranges from 140 - 580
50001585	34	ChEMBL_32075 (CHEMBL645986)	Inhibition of aldose reductase from rat lens. Value ranges from 3 - 300
50001585	1	ChEMBL_31953 (CHEMBL640506)	Inhibition of aldose reductase from rat lens. Value ranges from 10 - 42
50001585	13	ChEMBL_32085 (CHEMBL643662)	Inhibition of aldose reductase from rat lens. Value ranges from 7 - 130
50001585	9	ChEMBL_32067 (CHEMBL645979)	Inhibition of aldose reductase from rat lens. Value ranges from 10 - 520
50001585	8	ChEMBL_32068 (CHEMBL645980)	Inhibition of aldose reductase from rat lens. Value ranges from 110 - 430
50001585	21	ChEMBL_31945 (CHEMBL640407)	Inhibition of aldose reductase from rat lens. Value ranges from 0.15 - 3.3
50001585	15	ChEMBL_32083 (CHEMBL643660)	Inhibition of aldose reductase from rat lens. Value ranges from 50 - 650
50001585	25	ChEMBL_32077 (CHEMBL645988)	Inhibition of aldose reductase from rat lens. Value ranges from 300 - 2000
50001585	2	ChEMBL_31952 (CHEMBL640505)	Inhibition of aldose reductase from rat lens. Value ranges from 10 - 1300
50001585	10	ChEMBL_32081 (CHEMBL643658)	Inhibition of aldose reductase from rat lens. Value ranges from 40 - 680
50001585	24	ChEMBL_31942 (CHEMBL640404)	Inhibition of aldose reductase from rat lens. Value ranges from 0.02 -0.64
50001585	26	ChEMBL_32076 (CHEMBL645987)	Inhibition of aldose reductase from rat lens. Value ranges from 300 - 1100
50001585	27	ChEMBL_32079 (CHEMBL643656)	Inhibition of aldose reductase from rat lens. Value ranges from 35-160
50001585	33	ChEMBL_32074 (CHEMBL645985)	Inhibition of aldose reductase from rat lens. Value ranges from 280 - 490
50001585	14	ChEMBL_32086 (CHEMBL876584)	Inhibition of aldose reductase from rat lens. Value ranges from 7 - 33
50001585	12	ChEMBL_32080 (CHEMBL643657)	Inhibition of aldose reductase from rat lens. Value ranges from 4.9 - 23
50001585	30	ChEMBL_32071 (CHEMBL645982)	Inhibition of aldose reductase from rat lens. Value ranges from 17 - 720
50001585	23	ChEBML_31943	Inhibition of aldose reductase from rat lens. Value ranges from 0.07 - 1.2
50001588	2	ChEBML_4171	Inhibitory concentration to inhibit 5-lipoxygenase in the rat
50001589	3	ChEBML_157077	Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehyde as substrate
50001589	2	ChEMBL_31758 (CHEMBL641352)	Compound was evaluated for inhibition of human placental aldose reductase (HPAR) activity with glyceraldehyde as substrate
50001589	1	ChEMBL_157079 (CHEMBL764861)	Inhibitory activity against human placental aldose reductase (HPAR) with glyceraldehyde as substrate
50001590	4	ChEBML_70037	Inhibition of the GAR formyl transferase in L1210
50001590	6	ChEMBL_70034 (CHEMBL681436)	Inhibition of the GAR transformylase in MOLT-4 human leukemia cells
50001590	7	ChEMBL_69920 (CHEMBL677841)	Inhibition of the GAR transformylase in lactobacillus casei
50001590	5	ChEMBL_70037 (CHEMBL681439)	Inhibition of the GAR formyl transferase in L1210
50001590	3	ChEMBL_69918 (CHEMBL682267)	Inhibition of the GAR formyl transferase in lactobacillus casei
50001590	2	ChEMBL_69919 (CHEMBL682268)	Inhibition of the GAR formyl transferase in lactobacillus casei
50001590	1	ChEBML_69918	Inhibition of the GAR formyl transferase in lactobacillus casei
50001596	25	ChEMBL_4055 (CHEMBL618102)	Inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase using guinea pig supernatant
50001596	5	ChEBML_219	In vitro inhibition of rat platelet 12-lipoxygenase
50001596	20	ChEMBL_158274 (CHEMBL857567)	In vitro inhibitory activity against polymorphonuclear leukocyte cyclooxygenase
50001596	1	ChEBML_4270	In vitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase
50001596	3	ChEMBL_3824 (CHEMBL618010)	In vitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase
50001596	24	ChEMBL_158276 (CHEMBL762454)	In vitro inhibitory activity against rat polymorphonuclear leukocyte Prostaglandin G/H synthase
50001596	13	ChEBML_70842	Activity to bind against [3H]LTD4 radioligand in guinea pig
50001596	17	ChEMBL_158279 (CHEMBL762302)	In vitro inhibitory activity against rat polymorphonuclear leukocyte cyclooxygenase
50001596	15	ChEMBL_4270 (CHEMBL620029)	In vitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase
50001596	18	ChEMBL_3825 (CHEMBL618011)	In vitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase in human cell at 10 uM
50001596	16	ChEBML_3824	In vitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase
50035367	2	ChEBML_157964	Binding affinity towards FP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	10	ChEMBL_157949 (CHEMBL765916)	EP4 agonist potency utilizing a stable clone of pSV40-EP4 transfected into HEK293 cells expressing EP4 receptor
50001596	19	ChEMBL_158273 (CHEMBL762453)	In vitro inhibitory activity against polymorphonuclear leukocyte Prostaglandin G/H synthase
50035367	3	ChEBML_158474	Binding affinity towards TP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50001596	12	ChEMBL_3860 (CHEMBL618764)	In vitro inhibitory activity against polymorphonuclear leukocyte 5-lipoxygenase in human cell
50035367	12	ChEMBL_158334 (CHEMBL767817)	Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	5	ChEBML_157948	Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	13	ChEMBL_158022 (CHEMBL768615)	Binding affinity towards IP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	6	ChEBML_157794	Binding affinity towards DP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	11	ChEMBL_158331 (CHEMBL767814)	Inhibitory activity against human EP4 receptor expressed in HEK293 ebna cells
50035367	14	ChEMBL_157794 (CHEMBL768776)	Binding affinity towards DP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	15	ChEMBL_158474 (CHEMBL764132)	Binding affinity towards TP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50013019	2	ChEBML_145338	Inhibition of [125I]deltorphin binding to human delta opioid receptor from membranes of HEK293 cells
50001603	1	ChEBML_88880	Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae
50001607	1	ChEBML_1152	Binding affinity at [3H]8-OH-DPAT-Labeled 5-hydroxytryptamine 1A receptor sites in rat brain hippocampal membranes
50001611	2	ChEBML_214867	Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney (Vasopressin V2 receptor)
50001611	4	ChEMBL_214867 (CHEMBL820053)	Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney (Vasopressin V2 receptor)
50001611	1	ChEMBL_214852 (CHEMBL824694)	Inhibition constant for vasopressin-stimulated adenylate cyclase (Vasopressin V2 receptor) of medullary membranes of human kidney
50001611	3	ChEBML_214852	Inhibition constant for vasopressin-stimulated adenylate cyclase (Vasopressin V2 receptor) of medullary membranes of human kidney
50001612	1	ChEBML_144455	Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney
50001612	2	ChEBML_35095	Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat
50001612	3	ChEMBL_144455 (CHEMBL755102)	Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney
50001613	1	ChEBML_1531	Concentration of compound required to inhibit cortical 5-hydroxytryptamine 1A receptor binding sites in rat brain was evaluated
50001615	2	ChEBML_58203	Compound was tested for its ability to displace [3H]- spiperone from D2 binding site in rat striatal membranes
50001615	1	ChEBML_62570	Compound was tested for its ability to displace [3H]- spiperone from Dopamine receptor D2 in rat striatal membranes
50001617	2	ChEMBL_209438 (CHEMBL814295)	Inhibition of specific binding of HSQ(5,6-di-3H-SQ 29,548) in washed platelets
50001617	1	ChEMBL_77748 (CHEMBL690224)	Compound was evaluated for inhibition of specific binding of HSQ (5,6-di-3H-SQ 29,548) in washed platelets
50001618	5	ChEMBL_58208 (CHEMBL672779)	Compound was evaluated for the ability to displace [3H]spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state
50001618	1	ChEMBL_58209 (CHEMBL669939)	Compound was evaluated for the ability to displace [3H]spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state
50001618	2	ChEMBL_58210 (CHEMBL669940)	Compound was evaluated for the ability to displace [3H]spiperone at dopamine receptor in porcine anterior pituitary gland as high affinity state
50001618	4	ChEBML_58209	Compound was evaluated for the ability to displace [3H]spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state
50001618	3	ChEMBL_58205 (CHEMBL672776)	Compound was evaluated for the ability to displace [3H]spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state
50001620	1	ChEMBL_58673 (CHEMBL670447)	In vitro binding affinity towards Dopamine receptor D1 by displacing [125I]FISCH radioligand in rat striatal homogenate
50001620	2	ChEMBL_58302 (CHEMBL672697)	In vitro binding affinity to the rat striatal homogenate.
50001620	4	ChEMBL_58677 (CHEMBL672860)	In vitro binding affinity towards dDopamine receptor D1 by displacing [125I]FISCH radioligand in rat striatal homogenate
50013019	1	ChEBML_145114	Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells
50013019	4	ChEMBL_145338 (CHEMBL750573)	Inhibition of [125I]deltorphin binding to human delta opioid receptor from membranes of HEK293 cells
50013019	3	ChEBML_148072	Inhibition of [125I]Enkephalin binding to human mu opioid receptor from membranes of HEK293 cells
50001627	3	ChEBML_144828	Apparent binding affinity for non-vasorelaxant receptor
50013019	5	ChEMBL_148072 (CHEMBL754565)	Inhibition of [125I]Enkephalin binding to human mu opioid receptor from membranes of HEK293 cells
50013021	1	ChEBML_79051	Inhibitory concentration against HCV NS3 protease was determined
50013021	2	ChEMBL_79051 (CHEMBL687027)	Inhibitory concentration against HCV NS3 protease was determined
50013022	3	ChEMBL_207745 (CHEMBL809694)	Inhibition of T-cell proliferation was determined by a human T-cell assay
50013022	5	ChEBML_214953	Inhibition of [86Rb+] efflux from CHO cells stably transfected with Kv1.3 channel
50013022	1	ChEMBL_214949 (CHEMBL819400)	Inhibition of DiTc binding to Kv1.3 channel in human brain membranes
50013022	4	ChEMBL_214953 (CHEMBL821182)	Inhibition of [86Rb+] efflux from CHO cells stably transfected with Kv1.3 channel
50013022	6	ChEMBL_91590 (CHEMBL705534)	Inhibition of Kv1.3 ion channel. Measured in the Rb_Kv assay: [86Rb+] efflux from CHO cells stably transfected with Kv1.3 channel.
50013024	1	ChEBML_90869	Inhibitory activity of compound against HIV-1 integrase
50001639	3	ChEMBL_148846 (CHEMBL753963)	Binding affinity against Opioid receptor mu 1 by displacement of radioligand [3H]-DAGO in rat brain membrane
50001639	6	ChEMBL_146539 (CHEMBL873301)	Binding affinity against opioid receptor mu by displacement of radioligand [3H]DAGO in rat brain membrane
50001639	5	ChEBML_146905	Binding affinity against delta opioid receptor by displacement of radioligand [3H]DSLET in rat brain membrane
50001639	2	ChEMBL_146905 (CHEMBL751118)	Binding affinity against delta opioid receptor by displacement of radioligand [3H]DSLET in rat brain membrane
50001639	1	ChEMBL_146903 (CHEMBL751116)	Binding affinity against Opioid receptor delta 1 by displacement of radioligand [3H]DSLET in rat brain membrane
50001639	7	ChEMBL_148847 (CHEMBL753964)	Binding affinity against mu opioid receptor by displacement of radioligand [3H]DAGO in rat brain membrane
50001639	4	ChEBML_146539	Binding affinity against opioid receptor mu by displacement of radioligand [3H]DAGO in rat brain membrane
50013029	8	ChEMBL_158929 (CHEMBL768834)	Inhibitory concentration was measured against Prostaglandin G/H synthase 1 in the sensitive U937 microsome assay
50001641	3	ChEBML_33027	Concentration necessary to achieve half maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor at 1 uM
50013029	7	ChEBML_158929	Inhibitory concentration was measured against Prostaglandin G/H synthase 1 in the sensitive U937 microsome assay
50001641	6	ChEBML_849	Concentration necessary to achieve half maximal inhibition of [3H]8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor at 1 uM
50013029	4	ChEMBL_158928 (CHEMBL768833)	Inhibitory concentration was measured against Prostaglandin G/H synthase 1 in human whole blood
50013029	2	ChEMBL_158002 (CHEMBL767761)	Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells.
50013029	3	ChEMBL_158930 (CHEMBL768835)	Inhibitory concentration was measured against v in the sensitive U937 microsome assay
50001641	11	ChEBML_1776	Concentration necessary to achieve half maximal inhibition of [125I]- Iodocyanopindolol binding to 5-hydroxytryptamine 1B receptor at 1 uM
50001641	10	ChEMBL_1777 (CHEMBL616751)	Concentration necessary to achieve half maximal inhibition of [125I]- Iodocyanopindolol, binds to 5-hydroxytryptamine 1B receptor at 1 uM
50013029	9	ChEMBL_159924 (CHEMBL769650)	Inhibitory concentration was measured against Prostaglandin G/H synthase 2 in human whole blood
50001641	9	ChEMBL_33027 (CHEMBL643952)	Concentration necessary to achieve half maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor at 1 uM
50001641	7	ChEMBL_848 (CHEMBL615904)	Concentration necessary to achieve half maximal inhibition of [3H]8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor<br>at 1 uM
50001643	1	ChEMBL_31941 (CHEMBL640403)	Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentration
50001643	2	ChEBML_31455	In vitro inhibition of bovine lens aldose reductase
50001643	3	ChEBML_31941	Inhibition of aldose reductase (or polyol accumulation) in isolated rat sciatic nerve by compound at 10e-5 M concentration
50013029	5	ChEBML_158002	Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells.
50013029	6	ChEMBL_159923 (CHEMBL769649)	Inhibitory concentration was measured against Cyclooxygenase-2 in human whole blood
50013030	4	ChEMBL_105255 (CHEMBL710591)	In vitro receptor binding at MT2 (Melatonin) receptor.
50035368	3	ChEMBL_149462 (CHEMBL873928)	mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.
50035368	1	ChEMBL_149159 (CHEMBL873303)	mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.
50035368	2	ChEBML_149462	mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.
50013033	2	ChEMBL_88595 (CHEMBL699987)	Inhibitory concentration against Recombinant HIV-1 integrase (3'processing)
50013033	4	ChEMBL_79483 (CHEMBL691412)	Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)
50013033	1	ChEMBL_88596 (CHEMBL699988)	Inhibitory concentration against Recombinant HIV-1 integrase (Standard transfer reaction)
50013033	3	ChEBML_88595	Inhibitory concentration against Recombinant HIV-1 integrase (3'processing)
50044000	2	ChEMBL_52496 (CHEMBL666090)	Inhibitory activity against cyclin D1/ (cyclin dependent kinase) CDK4
50001651	1	ChEBML_99518	Compound was evaluated in a human neutrophil leukotriene B4 receptor binding assay
50035369	1	ChEMBL_206952 (CHEMBL814840)	Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)
50035369	3	ChEMBL_206954 (CHEMBL814841)	Dissociation binding constant for Syk tandem SH2 domain
50013063	4	ChEBML_146972	Ability to inhibit electrically induced contractions of guinea pig ileum having mu opioid receptors tested in vitro
50013065	2	ChEMBL_154187 (CHEMBL762736)	Transcriptional activation by human PPAR gamma
50013065	7	ChEMBL_153386 (CHEMBL760606)	Transcriptional activation by human PPAR alpha
50013065	5	ChEBML_153884	In vitro binding affinity for human PPAR delta in SPA
50013065	1	ChEBML_154209	In vitro binding affinity for human PPAR gamma in SPA
50013065	4	ChEMBL_153861 (CHEMBL762590)	Transcriptional activation by human PPAR delta
50013065	8	ChEMBL_154209 (CHEMBL759454)	In vitro binding affinity for human PPAR gamma in SPA
50013065	9	ChEMBL_153884 (CHEMBL759406)	In vitro binding affinity for human PPAR delta in SPA
50013065	6	ChEBML_153535	In vitro binding affinity for human PPAR alpha in SPA
50013067	2	ChEMBL_70975 (CHEMBL877816)	Binding affinity towards rat hippocampus GlyT1 transporter expressed in HEK 293 cells
50013067	1	ChEBML_70975	Binding affinity towards rat hippocampus GlyT1 transporter expressed in HEK 293 cells
50013068	1	ChEBML_141347	Inhibition of farnesylation in NIH-3T3H-ras cell line
50013068	4	ChEMBL_141347 (CHEMBL750319)	Inhibition of farnesylation in NIH-3T3H-ras cell line
50013069	1	ChEBML_105369	Affinity for Matrix metalloprotease-9 (MMP-9)
50013070	5	ChEBML_38164	Agonistic activity against human Beta-2 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing beta3-AR
50013070	2	ChEMBL_39070 (CHEMBL651141)	Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR
50013070	4	ChEBML_39070	Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR
50013070	6	ChEMBL_38788 (CHEMBL653162)	Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR
50013070	3	ChEMBL_38787 (CHEMBL653161)	Agonistic activity against human Beta-3 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing Beta-3 adrenergic receptor
50013071	2	ChEMBL_106337 (CHEMBL872791)	Binding affinity towards human melanocortin receptor (hMC4R) using NDP-MSH as radioligand
50013071	5	ChEMBL_105831 (CHEMBL872017)	Binding affinity towards human melanocortin receptor (hMC1R) using NDP-MSH as radioligand
50013071	6	ChEBML_106821	Agonistic activity against human melanocortin receptor (hMC5R) for cAMP accumulation
50013071	9	ChEMBL_105701 (CHEMBL718820)	Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation
50013071	11	ChEMBL_106817 (CHEMBL717658)	Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation
50013071	3	ChEMBL_106178 (CHEMBL717424)	Agonistic activity against human melanocortin receptor (hMC4R) for cAMP accumulation
50013071	1	ChEBML_106818	Agonistic activity against human melanocortin receptor (hMC3R) for cAMP accumulation
50001654	1	ChEBML_3918	Concentration required for 50 % inhibition of arachidonic acid oxidation by rat 5-lipoxygenase
50001654	6	ChEBML_157778	Concentration required for 50 % inhibition of leukotriene B4 production in human PMN compared with controls in the absence of compound
50001654	2	ChEBML_101365	Inhibitory activity towards soybean lipoxygenase
50001654	3	ChEMBL_3869 (CHEMBL619385)	Inhibition of 5-lipoxygenase reaction catalyzed by purified enzyme from porcine leukocytes
50001654	4	ChEBML_215	Inhibitory activity towards porcine 12-lipoxygenase
50001654	5	ChEBML_19	Inhibition of partially purified 15-lipoxygenase from human leukocytes
50013071	4	ChEBML_106817	Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation
50013071	12	ChEMBL_106820 (CHEMBL717661)	Agonist activity at human melanocortin receptor (hMC4R).
50035370	9	ChEMBL_205980 (CHEMBL810909)	Effective concentration on alkaline phosphatase activity in human T47D breast carcinoma cell line.
50035370	7	ChEMBL_159070 (CHEMBL764964)	Effective concentration against PR (progesterone receptor)
50035370	5	ChEMBL_159367 (CHEMBL856209)	Inhibition of [3H]P4 binding at progesterone receptor of human T47D breast carcinoma cells
50035370	6	ChEMBL_159368 (CHEMBL767015)	Inhibition of [3H]P4 to progesterone receptor (PR) of human T47D breast carcinoma cells
50035370	10	ChEMBL_35934 (CHEMBL646842)	Effective concentration against Androgen receptor
50035370	8	ChEBML_159367	Inhibition of [3H]P4 binding at progesterone receptor of human T47D breast carcinoma cells
50035370	11	ChEMBL_71414 (CHEMBL685132)	Effective concentration against GR (glucocorticoid receptor)
50013073	9	ChEMBL_159069 (CHEMBL764963)	Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells
50013073	11	ChEMBL_205981 (CHEMBL810910)	Effective concentration of progesterone receptor agonist induction of alkaline phosphatase activity in human T47D breast carcinoma cells
50013073	10	ChEMBL_177403 (CHEMBL782725)	Inhibitory progestational activity on oral administration in uterine C3 model
50013073	6	ChEBML_205988	Inhibitory activity against progesterone receptor induced alkaline phosphatase activity in human T47D breast carcinoma cells
50013078	2	ChEMBL_123010 (CHEMBL729051)	Inhibitory activity against microsomal triglyceride transfer protein (MTP)
50013083	4	ChEMBL_71681 (CHEMBL681673)	In vitro inhibition of geranylgeranyltransferase.
50013083	3	ChEMBL_69849 (CHEMBL680439)	In vitro inhibitory activity against farnesyltransferase (FTase)
50013087	7	ChEMBL_106167 (CHEMBL718862)	Inhibitory activity against hMC1R (human melanocortin receptor) using [125I]- ASIP Y radioligand
50013087	1	ChEMBL_106349 (CHEMBL713804)	Inhibitory activity against hMC4R (human melanocortin receptor) using I-AGRP as radioligand
50013087	5	ChEMBL_106333 (CHEMBL715711)	Binding affinity against human melanocortin 4 receptor (hMC4R) using [125I]- NDP-MSH as radioligand
50013087	8	ChEMBL_106331 (CHEMBL709901)	Binding affinity against human melanocortin 4 receptor (hMC4R) using [125I]- ([Nle4]alpha-MSH) as radioligand
50013087	10	ChEMBL_106334 (CHEMBL715712)	Binding affinity against human melanocortin 4 receptor (hMC4R) using [125I]- agouti related protein (AGRP) as radioligand
50013087	3	ChEMBL_106169 (CHEMBL718864)	Inhibitory activity against hMC3R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand
50013087	11	ChEMBL_106170 (CHEMBL718865)	Inhibitory activity against hMC3R (human melanocortin receptor) using I-AGRP as radioligand
50013087	4	ChEMBL_106348 (CHEMBL713803)	Inhibitory activity against hMC4R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand
50013088	1	ChEBML_201611	Inhibitory activity against spleen tyrosine kinase (SYK)
50013090	3	ChEBML_155207	Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue
50013090	2	ChEBML_156293	Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression
50013091	5	ChEBML_1109	Binding affinity towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]8-OH-DPAT as radioligand
50013103	4	ChEBML_105528	Inhibitory activity against matrix metalloprotease 9 (MMP-9).
50013104	5	ChEBML_208521	Inhibitory activity against alpha-human thrombin
50013153	1	ChEMBL_48461 (CHEMBL663024)	Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% human serum albumin
50013153	4	ChEMBL_48463 (CHEMBL663026)	Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% rabbit serum albumin
50013153	3	ChEMBL_48462 (CHEMBL663025)	Inhibitory activity for the compound against coagulation factor VIIa in presence of 1% ovalbumin
50013154	1	ChEBML_153879	Binding affinity for human PPAR delta receptor
50013154	7	ChEMBL_153871 (CHEMBL759393)	Maximum transcriptional activation of human PPAR delta receptor
50013154	9	ChEMBL_153879 (CHEMBL759401)	Binding affinity for human PPAR delta receptor
50013160	5	ChEMBL_72099 (CHEMBL684351)	Inhibition of Geranylgeranylprotein transferase-I -catalyzed incorporation of [3H]GGPP into biotin YRASNRSCAIL substrate
50013160	2	ChEBML_70126	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase
50013167	1	ChEBML_147340	Binding affinity for delta opioid receptor
50013167	2	ChEBML_145961	Binding affinity for kappa opioid receptor
50001658	10	ChEMBL_28409 (CHEMBL636972)	Inhibition of AICAR formyltransferase in Lactobacillus casei
50001658	12	ChEMBL_54104 (CHEMBL668434)	Inhibition of pure human dihydrofolate reductase (DHFR) from lymphoblastoid cells
50001658	5	ChEBML_209109	Inhibition of thymidylate synthase in Lactobacillus casei
50001658	8	ChEMBL_209610 (CHEMBL817338)	Inhibition of purified human thymidylate synthase from a SV40-transformed human fibroblast cell line cloned in Escherichia coli
50001658	2	ChEBML_54898	Inhibition of dihydrofolate reductase in Lactobacillus casei
50001658	9	ChEMBL_209485 (CHEMBL810077)	Inhibition of pure human thymidylate synthase from extract of Manca human lymphoma cells
50001658	6	ChEBML_69917	Inhibition of GAR formyltransferase in Lactobacillus casei
50001658	11	ChEMBL_69929 (CHEMBL678809)	Inhibition of GAR formyltransferase from extract of Manca human lymphoma cells
50001658	4	ChEBML_28421	Inhibition of AICAR formyltransferase from extract of Manca human lymphoma cells
50001661	2	ChEMBL_146777 (CHEMBL754439)	The ability of compound to inhibit [3H]DADL binding to the delta receptor of the NG108-15 cells at 10 min and 37 degree C
50001661	3	ChEMBL_146776 (CHEMBL754438)	The ability of comp[ound to inhibit [3H]DADL binding to the delta receptor of the NG108-15 cells at 10 min and 37 degree C
50001661	1	ChEBML_146777	The ability of compound to inhibit [3H]DADL binding to the delta receptor of the NG108-15 cells at 10 min and 37 degree C
50001620	5	ChEBML_58673	In vitro binding affinity towards Dopamine receptor D1 by displacing [125I]FISCH radioligand in rat striatal homogenate
50013167	3	ChEBML_149319	Binding affinity for mu opioid receptor
50035372	3	ChEBML_201657	Inhibition of binding of [3H]citalopram to (SERT) serotonin transporter in rat striatum
50035372	2	ChEBML_142631	Inhibition of binding of [3H]nisoxetine to (NET) norepinephrine transporter in rat striatum
50035372	4	ChEMBL_62142 (CHEMBL675898)	Inhibition of binding of [3H]WIN-35 428 to (DAT) dopamine transporter in rat striatum
50035375	2	ChEMBL_203055 (CHEMBL811559)	Competitive inhibitory activity against steroid sulfatase (STS)
50035376	5	ChEBML_145479	Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells
50035376	1	ChEBML_144660	Ability to displace [125I]-Tyr14 at nociceptin (NOP) receptor
50014049	5	ChEMBL_202627 (CHEMBL805372)	Inhibitory activity against cellular Src protein tyrosine kinase using the actin ring assay
50014049	6	ChEBML_202627	Inhibitory activity against cellular Src protein tyrosine kinase using the actin ring assay
50014018	3	ChEMBL_213951 (CHEMBL811929)	Inhibitory activity against Vascular endothelial growth factor receptor
50014018	1	ChEBML_213951	Inhibitory activity against Vascular endothelial growth factor receptor
50014018	2	ChEBML_67058	Inhibitory activity against epidermal growth factor receptor
50014018	4	ChEMBL_67058 (CHEMBL674107)	Inhibitory activity against epidermal growth factor receptor
50035378	1	ChEBML_47508	Inhibition of human carbonic anhydrase I
50001664	8	ChEMBL_216655 (CHEMBL821136)	Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP
50001664	4	ChEBML_216657	Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.
50035378	2	ChEBML_45072	Inhibition of human carbonic anhydrase II
50001664	3	ChEMBL_216652 (CHEMBL821133)	Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP
50001664	5	ChEMBL_216654 (CHEMBL821135)	Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP (insignificant)
50001664	11	ChEMBL_216657 (CHEMBL821138)	Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE;Compound is insignificant.
50035380	4	ChEMBL_41388 (CHEMBL653510)	In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.
50035380	2	ChEMBL_41392 (CHEMBL653514)	Binding affinity towards Beta-secretase 1 expressed in HEK293 (Human Embryonic Kidney) cells
50001664	6	ChEMBL_216663 (CHEMBL821144)	Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP
50035381	2	ChEMBL_41387 (CHEMBL653509)	In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells
50001664	12	ChEMBL_216656 (CHEMBL821137)	Inhibition of cGMP-PDE phosphodiesterase from bovine aorta using 1 uM cGMP (insignificant)
50014060	3	ChEMBL_161069 (CHEMBL771843)	Binding affinity towards Protease using PNA assay in rats
50014060	2	ChEBML_160924	Cytotoxic activity against Protease in rat liver Huh-7 cells
50014060	5	ChEMBL_160924 (CHEMBL767163)	Cytotoxic activity against Protease in rat liver Huh-7 cells
50014060	4	ChEMBL_161056 (CHEMBL771131)	Cytotoxic activity against Protease in rat liver Huh-7 cells at 100 uM concentration
50014060	1	ChEMBL_161060 (CHEMBL771134)	Inhibitory activity against Protease using replicon assay in rats at 25 uM concentration
50014061	3	ChEMBL_161059 (CHEMBL771133)	Inhibitory activity against HCV protease using replicon assay in rats
50014061	9	ChEMBL_161070 (CHEMBL873425)	Binding affinity towards Protease using PNA assay in rats
50001675	4	ChEBML_207812	Inhibitory activity to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat
50001675	5	ChEMBL_52051 (CHEMBL666437)	Inhibitory activity of compound to block binding of [3H]leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung
50001675	3	ChEBML_52048	Inhibitory activity of compound to block binding of [3H]leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung
50014061	2	ChEBML_161059	Inhibitory activity against HCV protease using replicon assay in rats
50014061	6	ChEMBL_161061 (CHEMBL771135)	Inhibitory activity against Protease using replicon assay in rats at 25 uM concentration
50001675	6	ChEMBL_156296 (CHEMBL760817)	Inhibition of bovine heart Phosphodiesterase 1A
50001675	1	ChEMBL_52053 (CHEMBL666439)	In vitro activity to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane
50001675	7	ChEBML_156295	Inhibition of bovine heart Phosphodiesterase 1A
50014062	1	ChEMBL_161071 (CHEMBL771844)	Binding affinity towards Protease using PNA assay in rats
50014062	4	ChEMBL_160925 (CHEMBL767164)	Cytotoxic activity in rat liver Huh-7 cells
50014062	3	ChEMBL_161062 (CHEMBL771136)	Inhibitory activity against Protease using replicon assay in rats at 50 uM concentration
50001679	1	ChEMBL_100140 (CHEMBL712498)	Binding affinity at Leutinizing releasing hormone receptor in rat pituitary using [125I]leuprolide as radioligand
50001679	2	ChEMBL_100143 (CHEMBL857595)	Dissociation constant was determined in vitro using rat pituitary membranes, at concentration 1.0*10e-5 M
50014062	2	ChEBML_161062	Inhibitory activity against Protease using replicon assay in rats at 50 uM concentration
50001680	3	ChEBML_140851	Inhibition of binding of [3H]strychnine to N-methyl-D-aspartate glutamate receptor 1
50014023	1	ChEBML_158546	Binding affinity for Potassium channel HERG Kv11.1
50014023	2	ChEMBL_160557 (CHEMBL763144)	Inhibitory activity against quiescent cell prolyl peptidase (QPP).
50014023	3	ChEBML_53362	Inhibitory activity against dipeptidylpeptidase IV.
50014024	9	ChEBML_105527	Inhibition of matrix metalloprotease-9 (MMP-9)
50014024	4	ChEBML_106791	Inhibition of matrix metalloprotease-14 (MMP-14)
50014026	1	ChEBML_154314	Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme
50014032	3	ChEMBL_48367 (CHEMBL661683)	Inhibitory activity against recombinant human cathepsin L (1.2 nM)
50035383	1	ChEBML_105146	Inhibitory activity against Methionine aminopeptidase 2
50014034	1	ChEBML_158583	In vitro inhibitory activity against canine prostaglandin G/H synthase 1.
50014394	2	ChEBML_143775	Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase activity.
50014394	4	ChEMBL_164132 (CHEMBL771457)	Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus
50014394	3	ChEBML_164132	Concentration required to inhibit RNA dependent RNA polymerase was determined from polio virus
50014394	1	ChEMBL_164128 (CHEMBL768020)	Concentration required to inhibit DNA dependent RNA polymerase was determined from calf thymus
50014618	6	ChEBML_144155	In vitro binding affinity against human neuropeptide Y5 receptor
50014618	4	ChEMBL_144158 (CHEMBL748381)	In vitro binding affinity against human neuropeptide Y5 receptor measured as Ca+ response
50014618	8	ChEMBL_144157 (CHEMBL748380)	In vitro binding affinity against human neuropeptide Y5 receptor
50035385	4	ChEBML_62254	Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand
50035385	2	ChEBML_201998	In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes
50035385	3	ChEBML_1343	Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand
50035385	1	ChEBML_1712	Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand
50014621	1	ChEBML_88783	In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.
50001690	1	ChEMBL_83773 (CHEMBL693831)	Inhibitory activity against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex
50001690	2	ChEBML_83773	Inhibitory activity against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex
50001694	1	ChEBML_39187	Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)
50001694	2	ChEBML_37979	Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)
50001696	1	ChEMBL_149149 (CHEMBL759240)	The ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from rat brain membrane; >= no displacement
50001696	3	ChEBML_146550	The ability to displace [3H]-naloxone from the Opioid receptor mu isolated from rat brain membrane.
50001696	5	ChEMBL_146552 (CHEMBL754970)	The ability to displace [3H]naloxone from the opioid receptor mu isolated from rat brain membrane.
50001696	6	ChEMBL_146550 (CHEMBL754969)	The ability to displace [3H]-naloxone from the Opioid receptor mu isolated from rat brain membrane.
50001696	4	ChEMBL_149148 (CHEMBL759239)	The ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from rat brain membrane; >= absolutely no % change
50001696	2	ChEMBL_146553 (CHEMBL754971)	The ability to displace [3H]naloxone from the opioid receptor mu isolated from rat brain membrane; >= no displacement
50014627	1	ChEBML_83909	Compound was tested for inhibitory activity against heparanase
50014640	2	ChEMBL_214183 (CHEMBL820132)	In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]1
50014644	4	ChEMBL_2262 (CHEMBL617049)	Effective concentration against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand
50014690	3	ChEMBL_100171 (CHEMBL707056)	In vitro ability to antagonize LPA-evoked [35S]GTP-gamma-S binding to lysophosphatidic acid receptor 1 in HEK293T cell lines
50014690	4	ChEMBL_100170 (CHEMBL707055)	In vitro ability to antagonize LPA-evoked [35S]GTP-gamma-S binding to lysophosphatidic acid receptor 1 in HEK293T cell lines
50014690	2	ChEBML_100171	In vitro ability to antagonize LPA-evoked [35S]GTP-gamma-S binding to lysophosphatidic acid receptor 1 in HEK293T cell lines
50014691	1	ChEMBL_67815 (CHEMBL673659)	Potency in cellular transactivation assay utilizing HEK293 cells stably co-transfected with human estrogen receptor beta and the alkaline phosphatase reporter gene
50014691	3	ChEBML_67680	Displacement of [3H]17-beta-estradiol from full length human estrogen receptor beta
50014691	5	ChEMBL_67363 (CHEMBL873603)	Displacement of [3H]17-beta-estradiol from full length human estrogen receptor alpha
50014691	2	ChEMBL_67495 (CHEMBL679886)	Potency in cellular transactivation assay utilizing HEK293 cells stably co-transfected with human estrogen receptor alpha and the alkaline phosphatase reporter gene.
50014691	6	ChEMBL_67680 (CHEMBL682167)	Displacement of [3H]17-beta-estradiol from full length human estrogen receptor beta
50014691	4	ChEBML_67363	Displacement of [3H]17-beta-estradiol from full length human estrogen receptor alpha
50001700	10	ChEBML_1108	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1A receptor
50001700	19	ChEMBL_58519 (CHEMBL672014)	Binding affinity at rat Dopamine receptor D1 by [3H]SCH-23390 displacement.
50001700	4	ChEBML_62229	Binding affinity against rat Dopamine receptor D2.
50001700	15	ChEBML_1795	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1B receptor
50001700	11	ChEMBL_62230 (CHEMBL674683)	Binding affinity determined in radioreceptor binding assay against dopamine receptor D2
50001700	8	ChEMBL_1108 (CHEMBL616053)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1A receptor
50035387	3	ChEMBL_214539 (CHEMBL819376)	Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor
50035387	2	ChEMBL_214261 (CHEMBL818587)	Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor
50035387	1	ChEBML_214260	Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor
50035387	6	ChEMBL_214260 (CHEMBL818586)	Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor
50001700	18	ChEMBL_58507 (CHEMBL672002)	Activity in radioreceptor binding assay by using [3H]-5-HT radioligand against Dopamine receptor D1
50001700	13	ChEMBL_62244 (CHEMBL671576)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against Dopamine receptor D2
50001700	12	ChEMBL_1795 (CHEMBL616768)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1B receptor
50035387	7	ChEMBL_214540 (CHEMBL819377)	Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor
50001700	14	ChEMBL_58520 (CHEMBL672015)	Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1
50001700	17	ChEMBL_1791 (CHEMBL616764)	Binding affinity determined in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1B receptor
50001700	5	ChEBML_58519	Binding affinity at rat Dopamine receptor D1 by [3H]SCH-23390 displacement.
50035387	4	ChEBML_214539	Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor
50001702	5	ChEMBL_59627 (CHEMBL670819)	Low binding affinity for dopamine D-2 receptor from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol in bovine anterior pituitary membranes
50001702	2	ChEBML_59628	Low binding affinity for dopamine receptor D2 from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol in bovine anterior pituitary membranes
50001702	4	ChEMBL_59625 (CHEMBL670961)	Low binding affinity for dopamine D-2 receptor from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol
50001702	7	ChEMBL_59486 (CHEMBL670138)	High binding affinity for dopamine D-2 receptor from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol
50001702	6	ChEMBL_59626 (CHEMBL670818)	Low binding affinity for dopamine D-2 receptor from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol in bovine anterior pituitary membranes
50001702	3	ChEMBL_59628 (CHEMBL670820)	Low binding affinity for dopamine receptor D2 from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol in bovine anterior pituitary membranes
50001702	1	ChEMBL_59487 (CHEMBL670139)	High binding affinity for dopamine D-2 receptor from bovine anterior pituitary membrane, using radioligand [3H]spiroperidol in bovine anterior pituitary membranes
50014694	3	ChEMBL_196624 (CHEMBL800659)	Ability to displace [3H]9-cis-RA from Retinoid X receptor alpha in CV-1 cells
50014694	4	ChEMBL_196620 (CHEMBL800656)	Effective concentration for antagonistic activity against RXR-alpha expressed in CV-1 cells
50014694	2	ChEBML_196620	Effective concentration for antagonistic activity against RXR-alpha expressed in CV-1 cells
50014694	5	ChEMBL_196618 (CHEMBL800654)	Effective concentration required for agonistic activity in CV-1 cells expressing RXR-alpha
50014695	3	ChEBML_84421	Ability to displace [3H]pyrilamine from human cloned histamine H1 receptor expressed in CHO cells
50014695	2	ChEBML_2954	Ability to displace [3H]- mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells
50014695	1	ChEBML_2276	Ability to displace [125I]R91150 from human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells
50014706	1	ChEBML_34905	Inhibitory activity of compound against angiotensin I converting enzyme was determined
50014712	1	ChEBML_106800	Inhibition of matrix metalloprotease-17
50014712	4	ChEBML_105525	Inhibition of matrix metalloprotease-9
50014720	4	ChEMBL_34557 (CHEMBL872366)	Inhibition kinetics of yeast alpha-glucosidase by genistein at a concentration of 10.2 uM
50014720	1	ChEMBL_34553 (CHEMBL646886)	Inhibition of yeast alpha-glucosidase after addition of D-glucose
50014722	1	ChEBML_155210	Inhibitory concentration against phosphodiesterase 5 (PDE5) from human platelet
50014723	1	ChEBML_160132	Binding affinity for protein kinase C alpha
50014755	3	ChEMBL_143204 (CHEMBL752221)	Affinity of [125I][D-Tyr0]-NMB to human Neuromedin B receptor expressed in HEK293 cells
50014755	1	ChEMBL_143203 (CHEMBL752220)	Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate
50014756	2	ChEMBL_48032 (CHEMBL885071)	Inhibitory activity against human Complement C1s subcomponent in erythrocyte hemolytic assay
50014758	2	ChEBML_215811	Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.
50014758	4	ChEMBL_215811 (CHEMBL820100)	Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.
50014758	3	ChEMBL_215802 (CHEMBL820091)	Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [Ca2+] levels.
50001713	2	ChEMBL_58548 (CHEMBL884448)	Binding activity against dopamine D2 receptor in rat brain, using [3H]spiperone as the radioligand
50001713	1	ChEMBL_58549 (CHEMBL667484)	Binding activity against dopamine receptor D2 in rat brain, using [3H]spiperone as the radioligand
50001713	7	ChEMBL_58171 (CHEMBL669679)	Binding activity against Dopamine receptor D1 in rat brain, using [3H]SCH-23390 as the radioligand
50014758	1	ChEMBL_215797 (CHEMBL820086)	Increased [Ca2+] influx in human vanilloid receptor subtype 1 expressing HEK293 cell membranes
50001713	6	ChEBML_58171	Binding activity against Dopamine receptor D1 in rat brain, using [3H]SCH-23390 as the radioligand
50001713	3	ChEBML_58548	Binding activity against dopamine D2 receptor in rat brain, using [3H]spiperone as the radioligand
50014759	2	ChEBML_148015	Binding affinity towards P-kallikrein
50014761	14	ChEMBL_33427 (CHEMBL648823)	Compound was evaluated for alpha-1 adrenergic receptor binding
50014770	5	ChEMBL_158990 (CHEMBL763756)	Evaluated for inhibition of Protease after resynthesis and purification
50014770	3	ChEMBL_158997 (CHEMBL763924)	Inhibitory concentration against Protease
50014770	4	ChEMBL_158989 (CHEMBL763755)	Evaluated for inhibition of Protease after CLND/MS correction from the crude mixture
50014770	2	ChEMBL_158991 (CHEMBL763757)	Evaluated for inhibition of Protease from the crude plate mixture
50001717	3	ChEBML_61602	Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]Apomorphine as radioligand
50001717	4	ChEBML_59320	Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]spiperone as radioligand
50001717	1	ChEMBL_59320 (CHEMBL667091)	Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]spiperone as radioligand
50001717	2	ChEMBL_61602 (CHEMBL675925)	Inhibitory activity against Dopamine receptor D2 in rat corpus striatum using [3H]Apomorphine as radioligand
50035394	12	ChEMBL_214711 (CHEMBL817845)	Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor
50035394	3	ChEBML_214405	Evaluated for intracellular calcium mobilization in HEK- 293 cells transfected to express human vasopressin V1a receptor (Compound 7o)
50035394	2	ChEMBL_214698 (CHEMBL817833)	Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor
50035394	1	ChEMBL_214406 (CHEMBL820271)	Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor
50035394	4	ChEBML_214711	Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor
50035394	7	ChEMBL_214397 (CHEMBL819418)	Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor (Compound 7o)
50035394	13	ChEMBL_214396 (CHEMBL819417)	Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor
50014775	3	ChEMBL_88045 (CHEMBL695907)	Inhibition of human recombinant hormone sensitive lipase (HSL)
50014775	2	ChEMBL_517 (CHEMBL615539)	Inhibition of forskolin-stimulated lipolysis in differentiated 3T3-L1 cells
50014775	1	ChEBML_88045	Inhibition of human recombinant hormone sensitive lipase (HSL)
50041073	1	ChEBML_101646	Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells
50041073	3	ChEMBL_101642 (CHEMBL710298)	Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells
50041073	2	ChEMBL_101646 (CHEMBL710302)	Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of MT-4 cells
50014780	3	ChEMBL_105143 (CHEMBL716774)	In vitro inhibition of human recombinant Methionine aminopeptidase 2.
50035395	1	ChEMBL_69261 (CHEMBL677079)	Inhibitory concentration required against Fucosyltransferase 6
50035395	3	ChEMBL_69263 (CHEMBL677081)	Compound was tested for binding affinity against Fucosyltransferase 6
50035395	2	ChEBML_69263	Compound was tested for binding affinity against Fucosyltransferase 6
50014783	3	ChEMBL_60067 (CHEMBL671381)	Binding affinity against human recombinant dopamine receptor D2 in presence of 0.5% human serum albumin
50014783	1	ChEBML_60067	Binding affinity against human recombinant dopamine receptor D2 in presence of 0.5% human serum albumin
50014787	1	ChEMBL_54503 (CHEMBL663851)	Inhibitory activity of compound against human DNA topoisomerase II, alpha was evaluated by ability to interfere with the relaxation of supercoiled plasmid DNA
50014787	2	ChEBML_54503	Inhibitory activity of compound against human DNA topoisomerase II, alpha was evaluated by ability to interfere with the relaxation of supercoiled plasmid DNA
50014791	9	ChEMBL_79695 (CHEMBL691714)	Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells
50014791	2	ChEBML_152986	Inhibitory concentration against protein kinase C-alpha using histone as substrate
50014791	15	ChEMBL_50347 (CHEMBL665969)	Inhibition of Cyclin-dependent kinase 1-cyclin B
50014791	14	ChEMBL_71154 (CHEMBL682323)	Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate
50014793	1	ChEMBL_143780 (CHEMBL750253)	Inhibitory potency against NS5B HCV polymerase
50014793	2	ChEBML_143780	Inhibitory potency against NS5B HCV polymerase
50014793	4	ChEMBL_143782 (CHEMBL750255)	Inhibitory potency of compound in presence of Mn2+ ion against NS5B HCV polymerase
50014793	3	ChEMBL_143781 (CHEMBL750254)	Inhibitory potency of compound in presence of Mg2+ ion against NS5B HCV polymerase
50014795	1	ChEBML_83907	In vivo inhibitory activity against human Heparanase
50014796	3	ChEMBL_60874 (CHEMBL673521)	Concentration required against dynamin-1 GTPase activity of sheep brain.
50014796	2	ChEBML_60874	Concentration required against dynamin-1 GTPase activity of sheep brain.
50014798	3	ChEBML_49003	Concentration required to inhibit human Cell division cycle 25A activity
50035398	1	ChEBML_143115	Displacement of [3H]-nisoxatine from norepinephrine transporter of rat brain membrane
50035398	4	ChEBML_62484	Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membrane
50035398	2	ChEBML_138954	Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat brain membrane
50035398	3	ChEBML_201971	Displacement of [3H]citalopram from serotonin transporter of rat brain membrane
50014801	2	ChEBML_155197	Inhibition of Phosphodiesterase 5
50014807	3	ChEMBL_201317 (CHEMBL806167)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
50014807	2	ChEMBL_201335 (CHEMBL806184)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes
50014807	1	ChEMBL_201334 (CHEMBL806183)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranes
50014807	4	ChEMBL_201454 (CHEMBL807599)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
50035400	2	ChEMBL_106300 (CHEMBL714556)	Inhibitory activity against human matrix metalloprotease-1 (MMP-1)
50035400	1	ChEMBL_106600 (CHEMBL717437)	Inhibitory activity against matrix metalloprotease-13 (MMP-13)
50014854	2	ChEMBL_41390 (CHEMBL653512)	Inhibition of human Beta-secretase 1
50014858	3	ChEMBL_61521 (CHEMBL675646)	Ability to inhibit [3H]mazindol binding to cloned human dopamine (DA) transporter
50014858	6	ChEMBL_142807 (CHEMBL882765)	Ability to inhibit [3H]nisoxetine binding to cloned human norepinephrine (NE) transporter
50014858	7	ChEBML_201361	Ability to inhibit [3H]paroxetine binding to cloned human serotonin (5-HT) transporter
50014858	8	ChEMBL_201361 (CHEMBL804696)	Ability to inhibit [3H]paroxetine binding to cloned human serotonin (5-HT) transporter
50014859	1	ChEBML_157987	In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons
50035403	3	ChEMBL_201451 (CHEMBL807596)	Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	2	ChEBML_201322	Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	6	ChEMBL_201322 (CHEMBL806172)	Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	1	ChEBML_201314	Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	7	ChEMBL_201331 (CHEMBL806180)	Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	8	ChEMBL_201448 (CHEMBL873237)	Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50001742	1	ChEBML_195776	In vitro inhibition against human plasma renin at pH 7.2 was determined
50001742	2	ChEMBL_195776 (CHEMBL801699)	In vitro inhibition against human plasma renin at pH 7.2 was determined
50001745	3	ChEBML_62866	Displacement of [3H]spiperone from rat striatal homogenate dopamine receptor D2
50001745	4	ChEMBL_58666 (CHEMBL670440)	In vitro affinity of compound towards dopamine (D1) receptor was determined by measuring their ability to displace [3H]SCH-23,390 from rat striatal homogenates
50001745	1	ChEBML_58666	In vitro affinity of compound towards dopamine (D1) receptor was determined by measuring their ability to displace [3H]SCH-23,390 from rat striatal homogenates
50001745	2	ChEMBL_62865 (CHEMBL673577)	In vitro affinity of compound towards Dopamine receptor D2 was determined by measuring their ability to displace [3H]spiperone from rat striatal homogenates
50001745	5	ChEMBL_62866 (CHEMBL673578)	Displacement of [3H]spiperone from rat striatal homogenate dopamine receptor D2
50001745	6	ChEMBL_58667 (CHEMBL670441)	Inhibition of [3H]SCH-23390 binding to rat striatal homogenate dopamine receptor D1
50001751	1	ChEBML_59142	Compound was evaluated for the ability to bind to dopamine beta-hydroxylase of bovine
50001752	2	ChEMBL_49575 (CHEMBL661829)	Compound was evaluated for the binding affinity against CCK A receptor in cortical cells.
50001752	5	ChEMBL_49576 (CHEMBL661830)	Compound was evaluated for the binding affinity against CCK A receptor in pancreatic acinar cell
50001752	4	ChEMBL_49578 (CHEMBL661831)	Compound was evaluated for the binding affinity against Cholecystokinin type A receptor in pancreatic acinar cell
50001752	1	ChEBML_49575	Compound was evaluated for the binding affinity against CCK A receptor in cortical cells.
50001752	3	ChEMBL_49577 (CHEMBL884336)	Compound was evaluated for the binding affinity against Cholecystokinin type A receptor in cortical cells.
50001758	5	ChEBML_47065	In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.
50001758	3	ChEBML_124428	Inhibitory activity against the Monoamine oxidase B
50001758	2	ChEBML_123594	Inhibitory activity against the Monoamine oxidase A
50001758	1	ChEBML_59303	Inhibitory activity against the dopamine beta hydroxylase
50001758	4	ChEBML_210730	Inhibitory activity against the tyrosine hydroxylase
50001758	6	ChEBML_59436	Inhibitory activity against the dopamine decarboxylase
50001759	5	ChEBML_209958	Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 uM
50001759	4	ChEBML_210160	Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 uM
50001759	3	ChEBML_55290	Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzyme
50001759	2	ChEMBL_55292 (CHEMBL665203)	Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase(DHFR) enzyme.
50001759	1	ChEMBL_55290 (CHEMBL875022)	Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzyme
50035403	9	ChEMBL_201314 (CHEMBL800921)	Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	2	ChEMBL_201452 (CHEMBL807597)	Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50001762	1	ChEBML_209935	Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of human platelet rich plasma in the presence of pig aortal microsomes
50014862	4	ChEMBL_201453 (CHEMBL807598)	Binding affinity towards human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	7	ChEMBL_201324 (CHEMBL873240)	Binding affinity towards human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	11	ChEMBL_201323 (CHEMBL806173)	Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014867	1	ChEBML_39051	Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells
50014868	1	ChEBML_192703	Concentration required to inhibit renal dipeptidase (RDP) by 50% in crude lysates prepared from human colon cancer
50014868	2	ChEMBL_192703 (CHEMBL801733)	Concentration required to inhibit renal dipeptidase (RDP) by 50% in crude lysates prepared from human colon cancer
50014879	15	ChEBML_158922	Inhibition of human prostaglandin G/H synthase 1, COX-1
50014879	8	ChEBML_51921	Inhibition of human cytochrome P450 3A4
50014879	13	ChEBML_51365	Inhibition of human cytochrome P450 1A2
50014879	7	ChEBML_216691	Inhibition of human c-Jun N-terminal kinase 2
50014879	17	ChEMBL_66577 (CHEMBL683037)	Inhibition of human Epidermal growth factor receptor, HER-1
50014879	22	ChEMBL_66579 (CHEMBL683039)	Inhibition of human epidermal growth factor receptor
50014879	2	ChEBML_52687	Inhibition of human cyclin-dependent kinase 1
50014879	21	ChEMBL_78744 (CHEMBL689293)	Inhibition of human HER-2
50014879	9	ChEBML_51541	Inhibition of human cytochrome P450 2C9
50014879	10	ChEBML_195915	Inhibition of human c-Src
50014879	1	ChEBML_49355	Inhibition of human c-Kit kinase
50014879	20	ChEBML_124496	Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.
50014879	11	ChEBML_216676	Inhibition of human c-Jun N-terminal kinase 1
50014879	3	ChEBML_163345	Inhibition of human RAF proto-oncogene serine/threonine-protein kinase
50014879	12	ChEBML_51730	Inhibition of human cytochrome P450 2D6
50014879	6	ChEBML_214094	Inhibition of human vascular endothelial growth factor receptor 2
50035404	5	ChEMBL_66578 (CHEMBL683038)	Inhibition of human Epidermal growth factor receptor
50035405	39	ChEMBL_143877 (CHEMBL883546)	Affinity for nicotinic acetylcholine receptor alpha4-beta2
50035405	32	ChEBML_38108	Binding affinity for peripheral benzodiazepine receptor
50035405	2	ChEBML_38461	Affinity towards human beta-2 adrenergic receptor
50035405	22	ChEBML_147334	Affinity towards opioid receptor delta 1
50014896	1	ChEBML_158643	Reversible inhibitory activity against Protease
50035407	6	ChEMBL_39943 (CHEMBL653226)	Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion
50035407	5	ChEMBL_143410 (CHEMBL750053)	Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4
50014919	3	ChEMBL_143096 (CHEMBL749346)	Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells
50014919	1	ChEBML_143096	Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells
50035409	8	ChEMBL_29577 (CHEMBL640235)	Binding affinity against adenosine A1 receptor using [3H]-CPX in guinea pig DDT membrane; 4191+/-922
50035409	24	ChEMBL_29589 (CHEMBL640247)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 913+/-517
50035409	4	ChEMBL_29450 (CHEMBL641035)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1773+/-209
50035409	14	ChEMBL_29446 (CHEMBL641031)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1571+/-245
50035409	17	ChEMBL_29443 (CHEMBL875249)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane
50035409	9	ChEMBL_29572 (CHEMBL640038)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 338+/-98
50035409	2	ChEMBL_29570 (CHEMBL640036)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1945+/-1316
50035409	7	ChEMBL_29578 (CHEMBL640236)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 473+/-329
50035409	15	ChEMBL_29445 (CHEMBL641030)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 117+/-46
50035409	27	ChEMBL_29586 (CHEMBL640244)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 6250+/-1767
50035409	25	ChEMBL_29588 (CHEMBL640246)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 894+/-659
50035409	21	ChEMBL_29584 (CHEMBL640242)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 604+/-241
50035409	31	ChEMBL_29280 (CHEMBL640341)	Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts
50035409	30	ChEMBL_29448 (CHEMBL641033)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 166+/-75
50035409	19	ChEMBL_29580 (CHEMBL640238)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 506+/-111
50035409	28	ChEMBL_29449 (CHEMBL641034)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1666+/-556
50035409	12	ChEMBL_29573 (CHEMBL640039)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 343+/-137
50035409	5	ChEMBL_29576 (CHEMBL640234)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 400+/-38
50035409	10	ChEMBL_29571 (CHEMBL640037)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 287+/-125
50035409	1	ChEBML_29570	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1945+/-1316
50035409	20	ChEMBL_29585 (CHEMBL640243)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 614+/-78
50001778	1	ChEMBL_141590 (CHEMBL751748)	Inhibition of deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver
50035409	18	ChEMBL_29581 (CHEMBL640239)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 543+/-182
50035409	3	ChEMBL_29451 (CHEMBL641036)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0
50035409	23	ChEMBL_29582 (CHEMBL640240)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 5497+/-180
50035409	11	ChEMBL_29574 (CHEMBL640040)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 354+/-113
50035409	29	ChEMBL_29447 (CHEMBL641032)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 158+/-21
50035409	13	ChEMBL_29579 (CHEMBL640237)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 503+/-262
50035409	26	ChEMBL_29587 (CHEMBL640245)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 7292+/-3241
50035409	16	ChEMBL_29444 (CHEMBL641029)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1143+/-426
50035409	22	ChEMBL_29583 (CHEMBL640241)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 5855+/-1208
50035409	6	ChEMBL_29575 (CHEMBL640233)	Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 3612+/-1937
50014926	4	ChEMBL_43656 (CHEMBL654082)	Inhibitory activity against on human calpain 1
50014926	1	ChEMBL_43479 (CHEMBL659380)	Inhibitory activity against on calpain in C6 glial cells
50035411	1	ChEBML_49723	Ability to displace 1 nM [3H]pCCK-8 from Cholecystokinin type A receptor in guinea pig pancreatic membranes
50014103	3	ChEBML_105990	Inhibitory activity against mouse melanocortin 1 receptor
50014103	5	ChEMBL_106345 (CHEMBL713800)	Inhibitory activity against [125I]NDP-alpha-MSH binding to the human melanocortin 4 receptor
50014103	1	ChEBML_106012	Inhibitory activity against human melanocortin 3 receptor
50014103	2	ChEMBL_106193 (CHEMBL714611)	Intracellular level of cAMP in cells expressing the melanocortin 4 receptor
50014103	4	ChEBML_106193	Intracellular level of cAMP in cells expressing the melanocortin 4 receptor
50014104	6	ChEMBL_32661 (CHEMBL642829)	Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta-3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3)
50014104	4	ChEMBL_32643 (CHEMBL642138)	Alpha-5 beta-1 antagonism using an ELISA assay
50014110	3	ChEBML_90391	Inhibitory activity against IKK1
50014110	1	ChEBML_90505	Inhibitory activity against IKK2
50014114	1	ChEBML_80151	Equilibrium binding constant at the active site of HIV-1 reverse transcriptase
50014115	3	ChEBML_159402	Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method
50014115	4	ChEMBL_159567 (CHEMBL873643)	Inhibition of prostaglandin G/H synthase 1 enzyme from ram seminal vesicles by spectrophotometric method
50014124	1	ChEBML_159406	Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles
50001782	6	ChEMBL_75663 (CHEMBL683309)	Ability to displace specific binding of 0.2 nM [3H]Boc[Nle28,31]-CCK27-33 from guinea pig brain membranes
50001782	3	ChEBML_49396	Displacement of 0.1 nM [3H]Boc[Nle28,31]-CCK27-33 from guinea pig pancreatic membranes
50001782	1	ChEBML_75663	Ability to displace specific binding of 0.2 nM [3H]Boc[Nle28,31]-CCK27-33 from guinea pig brain membranes
50001782	2	ChEMBL_49882 (CHEMBL875000)	Displacement of 0.1 nM [3H]pCCK-8 from guinea pig pancreatic membranes
50001782	4	ChEMBL_49396 (CHEMBL658758)	Displacement of 0.1 nM [3H]Boc[Nle28,31]-CCK27-33 from guinea pig pancreatic membranes
50001784	1	ChEBML_27660	Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles
50001785	1	ChEMBL_29620 (CHEMBL639642)	Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes
50001785	6	ChEMBL_29618 (CHEMBL639640)	Inhibition of 1 nM [3H]- N6- (phenylisopropyl) adenosine binding to A1 adenosine receptor in rat cerebral cortical membranes
50001785	10	ChEMBL_30863 (CHEMBL646360)	Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via Adenosine A2 receptor in rat PC12 membranes
50001785	2	ChEBML_27925	Inhibition of stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via A2 adenosine receptor in human platelet membranes
50001785	9	ChEMBL_27926 (CHEMBL642334)	Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.
50014124	2	ChEBML_159915	Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus
50001785	8	ChEBML_29616	Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane
50014126	8	ChEMBL_33239 (CHEMBL645798)	Displacement of [3H]prazosin from alpha-1 adrenergic receptor
50014126	3	ChEMBL_674 (CHEMBL615750)	Agonistic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by forskolin stimulated cAMP assay
50001785	5	ChEMBL_29619 (CHEMBL639641)	Inhibition of 1 nM [3H]- N6- (phenylisopropyl) adenosine binding to Adenosine A1 receptor
50014126	1	ChEMBL_676 (CHEMBL616260)	Agonistic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]GTP-gamma-S, stimulated cAMP assay
50014126	5	ChEMBL_672 (CHEMBL615748)	Agonistic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]GTP-gamma-S, stimulated cAMP assay
50014126	7	ChEMBL_201354 (CHEMBL806216)	Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter
50041075	4	ChEMBL_143729 (CHEMBL756125)	Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat brain homogenates
50001785	11	ChEMBL_29616 (CHEMBL639639)	Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane
50041075	3	ChEMBL_143882 (CHEMBL751865)	Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2
50014128	4	ChEBML_220583	Binding affinity for rat imidazoline receptor I-1 from crude P2 membranes
50001787	2	ChEMBL_152651 (CHEMBL763840)	Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5
50001787	5	ChEMBL_49777 (CHEMBL662999)	Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8
50014129	6	ChEMBL_215804 (CHEMBL820093)	Functional antagonistic activity against human vanilloid receptor subtype 1 in HEK293 cell membranes was determined as inhibition of agonist-induced increases in intracellular [Ca2+] levels
50014129	4	ChEMBL_215809 (CHEMBL820098)	Binding affinity towards cloned human vanilloid receptor subtype 1 in HEK293 cell membranes using [3H]RTX as radioligand
50001787	3	ChEMBL_152650 (CHEMBL763839)	Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5
50014129	3	ChEMBL_215810 (CHEMBL820099)	Displacement of [3H]-RTX binding to human vanilloid receptor subtype 1 expressed in HEK293 cell membranes (inactive)
50001787	6	ChEMBL_49776 (CHEMBL662998)	Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5
50014129	2	ChEMBL_215805 (CHEMBL820094)	Increased [Ca2+] influx in HEK293 cell membranes expressing human vanilloid receptor subtype 1 (inactive)
50014129	1	ChEBML_215810	Displacement of [3H]-RTX binding to human vanilloid receptor subtype 1 expressed in HEK293 cell membranes (inactive)
50001787	7	ChEMBL_152652 (CHEMBL763841)	Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7
50035803	3	ChEBML_146883	Inhibitory activity against Opioid receptor delta 1 of guinea pig was determined by using [3H]DADLE radioligand
50035803	6	ChEMBL_146994 (CHEMBL753815)	Inhibitory activity against Opioid receptor mu 1 of guinea pig brain using [3H]DAG0 radioligand
50001787	4	ChEBML_49465	Initial rate of reaction between Chymotrypsinogen and BzArg p-nitro-anilide in the presence of 400 uM at pH 7
50035803	2	ChEBML_145810	Binding inhibition against Opioid receptor kappa 1 of guinea pig was determined using [3H]ethylketocyclazocine
50001787	1	ChEBML_152650	Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5
50001788	8	ChEBML_209951	Inhibition of thromboxane A2 synthetase
50001788	7	ChEMBL_209950 (CHEMBL820606)	Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits
50001788	5	ChEMBL_207790 (CHEMBL809683)	Inhibition of thromboxane A2 synthetase
50001788	2	ChEMBL_209936 (CHEMBL873892)	Inhibition of platelet microsomal thromboxane A synthetase in humans
50001788	6	ChEMBL_207629 (CHEMBL814313)	Inhibition of platelet microsomal thromboxane A synthetase in rabbits
50001788	4	ChEMBL_210089 (CHEMBL812002)	Inhibition of platelet microsomal thromboxane A2 synthetase in rabbits
50001788	1	ChEMBL_207628 (CHEMBL814312)	Inhibition of platelet microsomal thromboxane A synthetase in humans
50001788	3	ChEBML_210090	Inhibition of thromboxane A2 synthetase
50001798	1	ChEBML_197338	Binding affinity towards S-adenosyl-homocysteine hydrolase was determined using [3H]AdoHcy as radioligand
50014129	5	ChEMBL_215799 (CHEMBL820088)	Increased [Ca2+] influx in HEK293 cell membranes expressing human vanilloid receptor subtype 1
50001807	1	ChEBML_144458	Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-Ala2-Leu-enkephalin as substrate
50001807	3	ChEBML_35496	Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkephalin as substrate
50014132	1	ChEBML_70977	Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line
50048814	3	ChEMBL_146301 (CHEMBL758849)	In vitro affinity to displace [3H]naloxone from opioid receptor in freshly prepared rat brain homogenates
50048814	4	ChEMBL_147659 (CHEMBL756574)	In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates
50001814	2	ChEMBL_68380 (CHEMBL678789)	Binding affinity for hog liver Folyl-polyglutamate synthase was evaluated
50001814	1	ChEBML_68383	The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase
50014181	4	ChEMBL_41396 (CHEMBL653517)	Tested for inhibition of Beta-secretase 1 (BACE 1) expressed in insect cell using baculovirus
50014192	1	ChEMBL_159424 (CHEMBL873414)	Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated
50014192	2	ChEBML_159410	Reversible competitive inhibition of prostaglandin G/H synthase 1
50014192	3	ChEMBL_159410 (CHEMBL764146)	Reversible competitive inhibition of prostaglandin G/H synthase 1
50014193	3	ChEBML_86753	Binding affinity for rat histamine H3 receptor on rat cortical cells
50014193	6	ChEMBL_86753 (CHEMBL693563)	Binding affinity for rat histamine H3 receptor on rat cortical cells
50014197	3	ChEBML_223735	Binding potency by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes
50014197	4	ChEBML_83647	Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells
50014212	2	ChEBML_68492	Inhibition of farnesyltransferase
50014214	3	ChEMBL_141739 (CHEMBL749251)	Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)
50014218	1	ChEBML_79055	In vitro inhibition of Hepatitis C polymerase.
50014219	1	ChEMBL_46518 (CHEMBL659312)	Inhibitory activity against caspase-1
50014219	2	ChEBML_46518	Inhibitory activity against caspase-1
50014219	3	ChEMBL_46526 (CHEMBL659320)	Inhibitory activity against caspase-1
50014221	4	ChEMBL_31372 (CHEMBL644664)	Binding affinity towards human recombinant adenosine A2A receptor by displacement of [3H]SCH-58261 radioligand.
50035414	2	ChEBML_37581	Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB
50035414	1	ChEBML_100187	Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB
50041076	6	ChEMBL_65925 (CHEMBL679201)	Inhibitory activity against bovine mitochondrial F1F0-ATP synthase
50041076	5	ChEMBL_65922 (CHEMBL678317)	Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase
50014406	5	ChEMBL_65930 (CHEMBL679205)	Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase
50014406	6	ChEMBL_65924 (CHEMBL679200)	Inhibitory activity against bovine mitochondrial F1F0-ATP synthase
50001827	2	ChEBML_138843	Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]N-methylscopolamine as radioligand
50001827	3	ChEBML_140037	Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]N-methylscopolamine as radioligand
50001827	5	ChEMBL_140037 (CHEMBL744017)	Binding affinity to the rat cardiac muscarinic acetylcholine receptor M2 using 0.3 nM [3H]N-methylscopolamine as radioligand
50001827	1	ChEMBL_138842 (CHEMBL753030)	Binding affinity of compound for glandular Muscarinic acetylcholine receptor M3 in rat using 0.3 nM [3H]N-methylscopolamine as radioligand
50041170	1	ChEBML_53614	Inhibitory activity against chicken liver dihydrofolate reductase
50001827	4	ChEMBL_140036 (CHEMBL744016)	Binding affinity of compound for cardiac Muscarinic acetylcholine receptor M2 in rat using 0.3 nM [3H]N-methylscopolamine as radioligand
50001838	2	ChEBML_154997	Inhibition of platelet-activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.
50001838	1	ChEMBL_154997 (CHEMBL767101)	Inhibition of platelet-activating factor receptor binding activity in dog platelets using [3H]-PAF as radioligand.
50001839	1	ChEMBL_154996 (CHEMBL767100)	Inhibition of [3H]PAF binding to dog platelets.
50001839	2	ChEBML_154996	Inhibition of [3H]PAF binding to dog platelets.
50035415	5	ChEMBL_49782 (CHEMBL663003)	Inhibitory activity against chymotrypsinogen; Range 1-10 uM
50035415	1	ChEMBL_43650 (CHEMBL656844)	In vitro inhibitory activity against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)
50035415	7	ChEMBL_43653 (CHEMBL654079)	In vitro inhibitory activity against recombinant human calpain 1
50035415	2	ChEBML_43650	In vitro inhibitory activity against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)
50035415	8	ChEMBL_49783 (CHEMBL663004)	Inhibitory activity against chymotrypsinogen; Range 1-10 uM
50014408	2	ChEMBL_162580 (CHEMBL768521)	In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay
50014408	1	ChEBML_162580	In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay
50014408	4	ChEMBL_162579 (CHEMBL857422)	In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay
50014409	5	ChEMBL_162584 (CHEMBL768525)	Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay
50014409	2	ChEMBL_162582 (CHEMBL768523)	Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay
50014409	4	ChEBML_162582	Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) over-expressed in intact Sf9 cell assay
50014409	6	ChEMBL_207132 (CHEMBL805116)	Inhibitory activity against T cell protein tyrosine phosphatase
50014409	7	ChEMBL_40067 (CHEMBL655663)	Inhibitory activity against CD45 protein-tyrosine phosphatase
50041077	2	ChEMBL_32652 (CHEMBL642147)	Displacement of [125I]L-775,219 from human recombinant alphaV-beta3 integrin
50014389	5	ChEMBL_44688 (CHEMBL659083)	Inhibitory concentration to displace [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cell
50014390	3	ChEMBL_44690 (CHEMBL659085)	Displacement of [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells
50014396	2	ChEBML_157993	In vitro inhibitory concentration against sheep placenta Prostaglandin G/H synthase 2
50014396	1	ChEBML_159397	In vitro inhibitory concentration against ram seminal vesicle prostaglandin G/H synthase 1
50014397	5	ChEBML_49138	Inhibitory concentration against coagulation factor Xa.
50014397	1	ChEMBL_49139 (CHEMBL661985)	Inhibition of Coagulation factor X
50014397	4	ChEBML_92385	Inhibitory activity against kallikrein was determined
50001845	2	ChEMBL_1100 (CHEMBL616423)	Binding affinity of compound towards 5-hydroxytryptamine 1A receptor in rat striatal membranes by [3H]OH-DPAT displacement.
50001845	3	ChEMBL_1098 (CHEMBL616421)	Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]OH-DPAT from 5-hydroxytryptamine 1A receptor in rat striatal membranes
50001845	1	ChEBML_1098	Binding affinity of compound towards 5-HT 1A receptor by measuring ability to displace [3H]OH-DPAT from 5-hydroxytryptamine 1A receptor in rat striatal membranes
50001846	7	ChEMBL_53148 (CHEMBL665868)	Antibacterial activity against Escherichia coli
50001846	4	ChEBML_53150	Antibacterial activity against Staphylococcus aureus DHFR
50001846	3	ChEMBL_54421 (CHEMBL667179)	Antibacterial activity against Escherichia coli
50001846	2	ChEMBL_53149 (CHEMBL665869)	Antibacterial activity against Staphylococcus aureus
50001846	1	ChEMBL_54422 (CHEMBL880683)	Antibacterial activity against Escherichia coli DHFR
50001846	6	ChEMBL_54744 (CHEMBL667195)	Antibacterial activity against Escherichia coli
50035817	7	ChEMBL_201276 (CHEMBL804965)	Compound was evaluated for binding affinity towards sigma opioid receptor using [3H](+)-3-PPP in guinea pig ileum
50035817	8	ChEMBL_146533 (CHEMBL753845)	Compound was evaluated for binding affinity towards kappa opioid receptor using [3H](-)-U-69,593 in guinea pig ileum
50035817	5	ChEMBL_146534 (CHEMBL753846)	Compound was evaluated for binding affinity towards kappa opioid receptor using [3H]-BREM in guinea pig ileum
50035817	6	ChEMBL_146532 (CHEMBL753844)	Compound was evaluated for binding affinity towards Opioid receptor kappa 1 using [3H]BREM in guinea pig ileum
50048823	1	ChEMBL_32633 (CHEMBL640539)	Binding affinity against Alpha-2 adrenergic receptor in rat cerebral cortical membrane, determined using [3H]- yohimbine as the radioligand
50014398	8	ChEMBL_48808 (CHEMBL872477)	In vitro inhibitory activity against Coagulation factor X
50014398	10	ChEMBL_48627 (CHEMBL659608)	In vitro inhibitory activity against coagulation factor X.
50001850	1	ChEBML_78360	In vitro inhibition of rat liver microsomal HMG-CoA reductase activity
50001857	1	ChEBML_214476	Binding affinity for vitamin K epoxide reductase
50001860	4	ChEBML_148900	Inhibitory activity against Oxidosqualene-lanosterol cyclase in pig liver
50001860	7	ChEBML_201923	Apparent inhibitory constant against squalene epoxidase
50001860	8	ChEMBL_201920 (CHEMBL808208)	Inhibitory activity against guinea pig Squalene Epoxidase
50001860	2	ChEMBL_201926 (CHEMBL808213)	Inhibitory activity against rat liver Squalene Epoxidase
50001860	6	ChEMBL_201923 (CHEMBL857627)	Apparent inhibitory constant against squalene epoxidase
50001860	3	ChEBML_201925	Inhibitory activity against rat liver Squalene Epoxidase
50001860	1	ChEMBL_201927 (CHEMBL808214)	Apparent inhibitory constant against squalene epoxidase
50001860	5	ChEMBL_201793 (CHEMBL806128)	Inhibitory activity against Candida albicans Squalene Epoxidase
50014398	7	ChEBML_48817	Inhibitory activity against Coagulation factor X
50001864	2	ChEMBL_209431 (CHEMBL814288)	In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, TXA2 by 50%
50001865	1	ChEMBL_123736 (CHEMBL728380)	Binding affinity against Monoamine oxidase B
50001865	2	ChEBML_123737	Binding affinity against monoamine oxidase-B (MAO-B)
50014398	9	ChEMBL_48817 (CHEMBL661218)	Inhibitory activity against Coagulation factor X
50014399	5	ChEBML_220582	Binding affinity at imidazoline receptor I-1 of rat.
50014284	1	ChEBML_28895	In vitro Inhibition of apical sodium-dependent bile acid transporter by measuring the uptake of [3H]taurocholate in hamster ileal ring
50014286	2	ChEBML_105264	Binding of 2-[125I]iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B
50014286	1	ChEBML_105100	Binding of 2-[125I]iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A
50014287	1	ChEMBL_158932 (CHEMBL768837)	Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay
50014287	3	ChEMBL_159926 (CHEMBL769652)	Inhibitory potency against cyclooxygenase-2 in human whole blood assay
50014287	5	ChEMBL_159913 (CHEMBL768962)	Inhibitory activity against recombinant human Prostaglandin G/H synthase 2
50014287	4	ChEBML_158919	Inhibitory activity against recombinant human prostaglandin G/H synthase 1
50001870	2	ChEMBL_29527 (CHEMBL643514)	Inhibition against ATP-citrate lyase in liver
50001870	1	ChEMBL_29530 (CHEMBL643517)	Inhibition against ATP-citrate lyase in rat liver.
50001870	3	ChEMBL_29529 (CHEMBL643516)	Inhibition against ATP-citrate lyase in rat liver
50001870	4	ChEBML_29528	Inhibition against ATP-citrate lyase in liver.
50014287	6	ChEMBL_158919 (CHEMBL763483)	Inhibitory activity against recombinant human prostaglandin G/H synthase 1
50001872	1	ChEBML_28990	Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]N6-cyclohexyladenosine as the radioligand
50014288	3	ChEMBL_90718 (CHEMBL701111)	Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitro assay
50014288	2	ChEMBL_88775 (CHEMBL701806)	Inhibition of Integrase catalyzed strand transfer (ST) as measured in an in vitro assay
50014288	1	ChEBML_90717	Inhibition of Integrase (3'-processing) as measured in an in vitro assay
50001879	2	ChEBML_1310	Affinity for 5-hydroxytryptamine 1A receptor site
50001879	1	ChEMBL_1311 (CHEMBL616688)	Affinity for 5-hydroxytryptamine 1A receptor site
50014288	5	ChEMBL_90717 (CHEMBL701110)	Inhibition of Integrase (3'-processing) as measured in an in vitro assay
50014292	1	ChEMBL_48792 (CHEMBL662445)	Binding affinity against Coagulation factor X
50014292	10	ChEMBL_48641 (CHEMBL659621)	Inhibitory concentration against human Coagulation factor X
50014292	9	ChEBML_92386	Inhibitory concentration of compound was determined against kallikrein
50014292	2	ChEBML_48792	Binding affinity against Coagulation factor X
50014293	2	ChEBML_92384	Inhibitory activity of compound against kallikrein
50014293	7	ChEBML_48666	Binding affinity for human Coagulation factor X
50014293	6	ChEMBL_48666 (CHEMBL658337)	Binding affinity for human Coagulation factor X
50001896	9	ChEMBL_154263 (CHEMBL765561)	Inhibitory concentration against cAMP PDE II enzyme in guinea pig
50001896	8	ChEMBL_154389 (CHEMBL759151)	Inhibitory concentration against cAMP PDE II enzyme in guinea pig
50001896	7	ChEBML_154263	Inhibitory concentration against cAMP PDE II enzyme in guinea pig
50001896	16	ChEMBL_154245 (CHEMBL765543)	Inhibitory concentration against cAMP PDE I enzyme in guinea pig
50014293	9	ChEMBL_48626 (CHEMBL659607)	In vitro inhibitory activity against human coagulation factor X
50001896	18	ChEMBL_154404 (CHEMBL759166)	Inhibitory concentration against cAMP PDE III enzyme in guinea pig
50014304	1	ChEBML_155208	Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme
50001896	15	ChEMBL_154256 (CHEMBL765554)	Inhibitory concentration against cGMP PDE I enzyme in guinea pig
50001896	14	ChEMBL_154399 (CHEMBL759161)	Inhibitory concentration against cAMP PDE III enzyme in guinea pig
50001896	10	ChEMBL_154262 (CHEMBL765560)	Inhibition of PDE II enzyme in guinea pig
50001896	2	ChEMBL_154264 (CHEMBL765562)	Inhibitory concentration against cGMP PDE II enzyme in guinea pig
50001896	12	ChEMBL_154388 (CHEMBL759150)	Inhibition of PDE II enzyme in guinea pig
50014306	1	ChEBML_197644	Beta-Lactamase inhibitory activity against represent active class C (P99) serine enzyme
50014306	5	ChEMBL_104646 (CHEMBL712892)	Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme
50014306	4	ChEMBL_104645 (CHEMBL712891)	Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme
50014306	3	ChEBML_104646	Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzyme
50014310	1	ChEMBL_54030 (CHEMBL669803)	Inhibitory activity against the wheat germ DNA topoisomerase I
50014311	3	ChEBML_154869	Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis
50014311	4	ChEMBL_154873 (CHEMBL768847)	Inhibitory activity against human phenylalanyl-tRNA synthetase was determined
50014311	5	ChEMBL_154872 (CHEMBL768846)	Inhibitory activity against phenylalanyl-tRNA synthetase from Staphylococcus aureus
50014311	1	ChEMBL_154869 (CHEMBL768843)	Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis
50014311	2	ChEBML_154873	Inhibitory activity against human phenylalanyl-tRNA synthetase was determined
50001899	1	ChEBML_129933	Inhibitory activity towards delta Opioid receptor using guinea pig ileum (GPI) assay was determined for the compound
50001899	2	ChEBML_129934	Inhibitory activity towards electrically induced contractions in mouse vas deferens expressing delta opioid receptor
50001899	8	ChEBML_147037	Inhibition of [3H]DSLET binding to rat brain membrane Opioid receptor delta 1
50001899	6	ChEBML_148992	Binding affinity towards Opioid receptor mu 1 in rat brain membrane using [3H]DAGO as radioligand
50001899	4	ChEBML_147107	Inhibitory activity towards electrically induced contractions in guinea pig ileum expressing Opioid receptor mu 1
50001899	3	ChEMBL_147108 (CHEMBL758271)	Inhibitory activity towards electrically induced contractions in guinea pig ileum expressing mu opioid receptor
50001899	5	ChEMBL_148998 (CHEMBL757982)	Binding affinity towards mu Opioid receptor in rat brain membrane using [3H]DAGO as radioligand
50001899	7	ChEMBL_147106 (CHEMBL758269)	Inhibitory activity towards Opioid receptor mu 1 using guinea pig ileum (GPI) assay was determined for the compound
50014312	3	ChEMBL_154870 (CHEMBL768844)	Compound was evaluated for the inhibitory activity against Escherichia coli phenylalanyl-tRNA synthetase
50014312	1	ChEMBL_154871 (CHEMBL768845)	Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase
50014312	2	ChEBML_154871	Compound was evaluated for the inhibitory activity against Staphylococcus aureus phenylalanyl-tRNA synthetase
50035420	3	ChEBML_148227	Binding affinity towards opioid receptor mu 1 using [3H]- diprenophine as radioligand from membrane preparations of recombinant HEK293 cells
50035420	2	ChEBML_144661	Binding affinity towards Nociceptin/orphanin FQ (N/OFQ) receptor from recombinant HEK293 cell membranes was determined using binding assay
50035420	4	ChEBML_145618	Tested for the opioid receptor delta 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]naltrindole radioligand
50035420	1	ChEBML_145396	Tested for the opioid receptor kappa 1 binding affinity using membrane preparations from recombinant HEK293 cells with [3H]U-69593 radioligand
50035422	3	ChEMBL_63780 (CHEMBL677384)	Inhibition of epidermal growth factor receptor kinase autophosphorylation
50035422	1	ChEBML_63781	Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor
50035422	2	ChEMBL_63781 (CHEMBL677385)	Inhibition of peptide substrate phosphorylation by epidermal growth factor receptor
50014350	7	ChEBML_143639	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA)
50035423	1	ChEMBL_90870 (CHEMBL699303)	Inhibitory activity against HIV-1 integrase
50014356	3	ChEBML_124012	Inhibitory potency against mitogen activated protein kinase kinase 1
50014359	1	ChEBML_65489	Inhibitory activity against [125I]ET1 binding to human endothelin A receptor
50014359	2	ChEBML_63695	Inhibitory activity against [125I]ET1 binding to human endothelin B receptor
50014359	3	ChEMBL_65489 (CHEMBL682364)	Inhibitory activity against [125I]ET1 binding to human endothelin A receptor
50014359	4	ChEMBL_63695 (CHEMBL670651)	Inhibitory activity against [125I]ET1 binding to human endothelin B receptor
50014363	2	ChEMBL_41394 (CHEMBL653516)	Inhibitory concentration of compound against Beta-secretase 1 was evaluated
50014368	5	ChEBML_105398	Inhibition of recombinant human matrix metalloprotease-9
50014368	4	ChEMBL_105398 (CHEMBL710817)	Inhibition of recombinant human matrix metalloprotease-9
50014370	2	ChEBML_155205	Inhibition of phosphodiesterase 5 from human platelets
50014373	5	ChEMBL_196920 (CHEMBL807382)	Binding affinity against Retinoic acid receptor RXR-alpha by [3H]9-cis-RA displacement.
50014373	9	ChEMBL_196594 (CHEMBL800472)	Transcriptional activation in CV-1 cells expressing Retinoid X receptor alpha
50014373	6	ChEBML_196468	Binding affinity against retinoic acid receptor alpha by [3H]ATRA displacement.
50014373	7	ChEBML_196596	Transcriptional activation in CV-1 cells expressing Retinoic X receptor alpha
50020830	1	ChEMBL_444831 (CHEMBL895082)	Agonistic potency at human adrenergic Alpha-2C receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation
50014373	1	ChEBML_197088	Displacement of [3H]9-cis-RA from Retinoic X receptor beta
50014373	3	ChEBML_196589	Binding affinity against retinoic acid receptor gamma by [3H]ATRA displacement.
50014373	8	ChEBML_196588	Binding affinity against retinoic acid receptor beta by [3H]ATRA displacement.
50014373	10	ChEMBL_196599 (CHEMBL799677)	Antagonist activity for Retinoic X receptor alpha in CV1 cells
50014373	2	ChEBML_196463	Displacement of [3H]9-cis-RA from retinoic X receptor gamma
50014413	4	ChEMBL_39493 (CHEMBL656318)	Inhibition of [125I]MDC binding to recombinant human C-C chemokine receptor type 4 (CCR4) expressed in murine pre-B cells
50014413	1	ChEBML_39491	Inhibition of MDC-stimulated chemotaxis in transfected murine cell line expressing human chemokine receptor 4
50014418	4	ChEMBL_39489 (CHEMBL652233)	Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]eotaxin.
50014420	6	ChEMBL_158452 (CHEMBL763256)	Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells
50014420	2	ChEMBL_158454 (CHEMBL763258)	Binding affinity was determined against prostanoid EP4 receptor
50014420	3	ChEBML_158452	Agonist activity against recombinant prostanoid EP4 receptor stably transfected in CHO cells
50035424	2	ChEMBL_68769 (CHEMBL682484)	Inhibition constant against Escherichia coli cyclopropane fatty acid synthase
50014422	3	ChEMBL_54044 (CHEMBL872487)	Inhibition of relaxation activities of DNA topoisomerase I with respect to pBR322 DNA
50014425	2	ChEBML_159280	In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles
50014430	1	ChEBML_68376	Agonistic activity against Follicle stimulating hormone receptor expressed in chinese hamster ovary cells(CHO)
50001920	2	ChEBML_33091	Affinity to alpha-1 adrenergic receptor by the displacement of [3H]-prazosin from calf cerebral cortex membranes
50001920	4	ChEMBL_33103 (CHEMBL645956)	Compound was evaluated for log 1/Ki at alpha-1 adrenergic receptor
50001920	3	ChEMBL_33042 (CHEMBL858268)	Compound was evaluated for log 1/Ki at alpha-2 adrenergic receptor
50001920	5	ChEMBL_33030 (CHEMBL643955)	Affinity to alpha-2 adrenergic receptor by the displacement of [3H]clonidine from calf cerebral cortex membranes
50001920	1	ChEBML_33030	Affinity to alpha-2 adrenergic receptor by the displacement of [3H]clonidine from calf cerebral cortex membranes
50014431	4	ChEMBL_68377 (CHEMBL678786)	Agonistic activity against human follicle stimulating hormone receptor in CHO-hFSHR-luciferase assay.
50014432	3	ChEMBL_44511 (CHEMBL658535)	Inhibition of transcriptional activation in CV-1 cells expressing glucocorticoid receptor
50014432	4	ChEMBL_44512 (CHEMBL658536)	Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor
50014432	2	ChEBML_44512	Inhibition of transcriptional repression in CV-1 cells expressing glucocorticoid receptor
50014437	1	ChEBML_90868	Inhibitory activity against HIV-1 integrase.
50014440	1	ChEBML_143685	Binding affinity against human recombinant NPY Y1 receptor in CHO/dhFr- cell membranes using [125I]PYY
50014444	2	ChEBML_71739	Inhibitory concentration against binding of rat Gonadotropin-releasing hormone receptor using [125I]buserelin
50014445	12	ChEMBL_201798 (CHEMBL806133)	Ability to displace 0.4 nM [3H]paroxetine binding to serotonin transporter in rat frontal cortex
50014445	6	ChEBML_201798	Ability to displace 0.4 nM [3H]paroxetine binding to serotonin transporter in rat frontal cortex
50014445	13	ChEMBL_62161 (CHEMBL675004)	Potency of inhibiting 10 pM [125I]RTI-55 binding to dopamine transporter in rat striatal membranes
50014445	1	ChEMBL_62149 (CHEMBL675905)	Inhibitory activity against dopamine transporter in rat striatal membranes
50014445	11	ChEMBL_60020 (CHEMBL675845)	Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat striatal membranes
50001928	3	ChEMBL_68607 (CHEMBL681141)	Inhibition of GABA-stimulated 36Cl- uptake by membrane vesicles of rat cerebral cortex
50014445	7	ChEBML_62149	Inhibitory activity against dopamine transporter in rat striatal membranes
50001928	2	ChEBML_68606	Inhibition of GABA-stimulated 36Cl- uptake by membrane vesicles of rat cerebral cortex
50014445	10	ChEMBL_60021 (CHEMBL675846)	Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal membranes
50035428	2	ChEMBL_201914 (CHEMBL808203)	Inhibition of [3H](+)-pentazocine binding to Sigma receptor type 1
50014448	2	ChEBML_52987	Inhibitory concentration against Pneumocystis carinii dihydrofolate reductase
50014448	3	ChEBML_55237	Inhibitory concentration against Mycobacterium avium dihydrofolate reductase
50014448	4	ChEBML_53471	Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase
50041078	2	ChEMBL_143883 (CHEMBL751866)	Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2
50035429	16	ChEMBL_143406 (CHEMBL752660)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand
50035429	17	ChEMBL_143250 (CHEMBL752538)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand
50035429	15	ChEMBL_144016 (CHEMBL750431)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand
50035429	14	ChEMBL_143730 (CHEMBL756126)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand
50035429	13	ChEMBL_143227 (CHEMBL750088)	Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand
50001933	2	ChEMBL_75905 (CHEMBL689040)	In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa
50035430	7	ChEMBL_143392 (CHEMBL750859)	Antagonism of ACh-evoked responses at human Nicotinic acetylcholine receptor alpha3-beta4 expressed in xenopus oocytes
50035430	6	ChEMBL_143552 (CHEMBL755325)	Antagonism of ACh response at Nicotinic acetylcholine receptor alpha4-beta2 expressed in xenopus oocytes
50035430	2	ChEMBL_144040 (CHEMBL751076)	Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes
50044001	11	ChEMBL_143225 (CHEMBL750086)	Binding affinity towards nicotinic acetylcholine receptor alpha2-beta2 using [3H]epibatidine
50044001	14	ChEMBL_143728 (CHEMBL756124)	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine
50044001	8	ChEMBL_144015 (CHEMBL750430)	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine
50044001	10	ChEMBL_143249 (CHEMBL752537)	Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta2 using [3H]epibatidine
50044001	9	ChEMBL_143232 (CHEMBL750093)	Binding affinity towards Nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine
50044001	13	ChEMBL_143405 (CHEMBL872961)	Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine
50001942	3	ChEMBL_154849 (CHEMBL769683)	Binding affinity against phencyclidine receptor was determined by the displacement of [3H]TCP of whole rat brain minus cerebellum.
50001942	1	ChEBML_154849	Binding affinity against phencyclidine receptor was determined by the displacement of [3H]TCP of whole rat brain minus cerebellum.
50001942	2	ChEMBL_154846 (CHEMBL764431)	Inhibition activity against binding of phencyclidine receptor was determined by the displacement of [3H]-TCP of whole rat brain minus cerebellum.
50044001	12	ChEMBL_143404 (CHEMBL752659)	Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4
50044002	2	ChEMBL_143867 (CHEMBL751223)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes
50014482	9	ChEMBL_143888 (CHEMBL751871)	Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in cultured hippocampal neurons
50014482	10	ChEMBL_144332 (CHEMBL751843)	Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in hippocampal primary cultures
50014482	8	ChEMBL_143887 (CHEMBL751870)	Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in acute hippocampal slices
50014482	4	ChEMBL_144331 (CHEMBL751842)	Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in cultured hippocampal neurons
50014483	41	ChEMBL_143233 (CHEMBL750094)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014486	2	ChEBML_105282	Inhibition of Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)
50014486	3	ChEMBL_105152 (CHEMBL716781)	Inhibition of Enterococci faecalis methionyl-tRNA synthetase (EfMetRS)
50014486	1	ChEMBL_105285 (CHEMBL718952)	Inhibition of human methionyl-tRNA synthetase (fMetRS)
50014486	4	ChEMBL_105282 (CHEMBL878198)	Inhibition of Staphylococcus aureus methionyl-tRNA synthetase (SaMetRS)
50035431	1	ChEBML_154471	Inhibition of human PTPase 1B
50035432	2	ChEMBL_42222 (CHEMBL654703)	Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)
50014494	2	ChEBML_159282	In vitro inhibitory activity against prostaglandin G/H synthase 1 from ovine
50014495	1	ChEBML_157992	In vitro inhibitory activity against prostaglandin G/H synthase 2 from ovine
50014495	2	ChEBML_159283	In vitro inhibitory activity against prostaglandin G/H synthase 1 from ovine
50035433	1	ChEBML_3626	Ability to displace [3H]LSD from human 5-hydroxytryptamine 6 receptor transiently expressed in COS-7 cells
50014499	1	ChEBML_210231	Inhibitory activity against human terminal deoxynucleotidyltransferase
50014537	2	ChEBML_92383	In vitro inhibitory activity against kallikrein was determined
50014537	9	ChEMBL_48628 (CHEMBL659609)	In vitro inhibitory activity against Coagulation factor X was determined
50035435	36	ChEMBL_71101 (CHEMBL679613)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR)
50035435	44	ChEMBL_71231 (CHEMBL682530)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 379-840 nM
50035435	23	ChEMBL_71240 (CHEMBL680307)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 61-63 nM
50035435	45	ChEMBL_71252 (CHEMBL683498)	Effect on human Glucocorticoid receptor (GR) in a whole cell assay to measure functional cellular GR-antagonism (GRAF)
50035435	19	ChEMBL_71237 (CHEMBL680304)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 559-1423 nM
50035435	16	ChEBML_36111	Displacement of [3H]mibolerone from human Androgen receptor
50035435	3	ChEBML_71109	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 150-220 nM
50035435	27	ChEMBL_71239 (CHEMBL680306)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 6-8 nM
50035435	21	ChEMBL_71246 (CHEMBL683342)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 949-1169 nM
50035435	6	ChEMBL_71116 (CHEMBL686297)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 28-34 nM
50035435	12	ChEMBL_71105 (CHEMBL679617)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 13-26 nM
50035435	39	ChEMBL_71112 (CHEMBL686060)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 2-2 nM
50035435	10	ChEMBL_71230 (CHEMBL682529)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 378-814 nM
50035435	25	ChEMBL_71103 (CHEMBL679615)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 106-131 nM
50035435	33	ChEMBL_71106 (CHEMBL679618)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 133-161 nM
50035435	1	ChEMBL_71115 (CHEMBL686296)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 26-67 nM
50035435	30	ChEMBL_71235 (CHEMBL680302)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 5-6 nM
50035435	26	ChEMBL_71232 (CHEMBL680299)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 39-94 nM
50035435	38	ChEMBL_71102 (CHEMBL679614)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 10-12 nM
50014539	1	ChEMBL_51112 (CHEMBL664958)	Binding affinity towards human Corticotropin releasing factor receptor 1 by the displacement of [125I]CRF from CHO cells
50014539	4	ChEMBL_50972 (CHEMBL666690)	Effective dose against CRF stimulated cAMP production in CHO cells expressing human Corticotropin releasing factor receptor 1
50014539	2	ChEMBL_50973 (CHEMBL666691)	Effective dose against human Corticotropin releasing factor receptor 1 stimulated ACTH release from primary rat anterior pituitary cell cultures
50014541	3	ChEBML_155363	Inhibition of phosphodiesterase 5 of rabbit platelets
50014543	1	ChEMBL_145487 (CHEMBL752130)	Binding affinity for delta opioid receptor
50014543	2	ChEBML_149323	Binding affinity for mu opioid receptor
50014543	4	ChEMBL_145310 (CHEMBL751916)	Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
50014543	3	ChEBML_145310	Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
50001952	2	ChEBML_149144	Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1
50001952	1	ChEBML_147185	Inhibition of [3H]DTLET binding torat brain membrane Opioid receptor delta 1
50014544	3	ChEBML_147341	In vitro binding affinity towards opioid receptor delta 1
50001958	1	ChEBML_153214	Binding affinity for peripheral benzodiazepine receptor of rat kidney
50014545	4	ChEBML_143113	Binding affinity to norepinephrine (NE) transporter in rat forebrain tissue
50014545	6	ChEBML_142934	Binding affinity to norepinephrine (NE) transporter in membranes of cells selectively expressing the human genes for NET
50014545	1	ChEBML_62479	Binding affinity to dopamine transporter (DAT) in rat forebrain tissue
50014545	3	ChEBML_201835	Binding affinity to serotonin transporter (SERT) in rat forebrain tissue
50014545	5	ChEBML_61656	Binding affinity to dopamine transporter in membranes of cells selectively expressing the human genes for DAT
50014548	1	ChEBML_206146	Inhibitory potency against human TAFIa (thrombin-activatable fibrinolysis inhibitor)
50014549	1	ChEBML_158775	Inhibition of Hepatitis C virus NS3 protease in vitro.
50014553	1	ChEMBL_86826 (CHEMBL694697)	Inhibition of CCL3 induced chemotaxis in human T lymphocytes
50014553	3	ChEMBL_41888 (CHEMBL655681)	Inhibition of CCL3 binding to C-C chemokine receptor type 1
50035436	2	ChEMBL_29969 (CHEMBL875251)	Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line
50035436	3	ChEBML_29969	Ability to block progesterone induced alkaline phosphatase activity in T47D human breast cancer cell line
50035436	7	ChEMBL_29965 (CHEMBL642007)	Agonistic activity measures the ability to induce alkaline phosphatase in T47D human breast cancer cell line
50035436	4	ChEMBL_205979 (CHEMBL810908)	Agonistic activity as progesterone receptor induced alkaline phosphatase activity in T47D human breast cancer cells
50014559	3	ChEBML_71100	Binding affinity against human Glucocorticoid receptor (GR) using [3H]dexamethasone as radioligand
50014559	5	ChEMBL_71256 (CHEMBL685250)	Functional activity towards human Glucocorticoid receptor in genetically engineered cell line containing glucocorticoid response element and reporter gene encoding a secreted form of alkaline phosphatase
50014559	6	ChEMBL_71100 (CHEMBL679612)	Binding affinity against human Glucocorticoid receptor (GR) using [3H]dexamethasone as radioligand
50035437	2	ChEBML_212190	Inhibitory activity against bovine trypsin
50014588	1	ChEMBL_2484 (CHEMBL617371)	Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometric imaging plate reader
50014588	4	ChEMBL_2292 (CHEMBL617077)	Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line
50014588	2	ChEMBL_2970 (CHEMBL620618)	Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line
50014588	7	ChEMBL_2865 (CHEMBL617407)	Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line
50014588	3	ChEBML_2970	Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line
50014588	8	ChEMBL_2263 (CHEMBL617050)	Functional activity against human 5-hydroxytryptamine 2A receptor expressed in CHO cells using fluorometric imaging plate reader
50014588	9	ChEMBL_2943 (CHEMBL617883)	Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometric imaging plate reader
50014588	6	ChEBML_2292	Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line
50014038	2	ChEBML_143777	Inhibitory activity against NS5B polymerase of hepatitis C virus
50014038	1	ChEMBL_143776 (CHEMBL750249)	Inhibitory activity against NS5B polymerase of hepatitis C virus
50014045	2	ChEBML_2086	In vitro binding affinity for human 5-hydroxytryptamine 1F receptor
50014045	1	ChEMBL_107124 (CHEMBL718155)	Concentration required for stimulation of [35S]GTP-gamma-S, binding in mouse LM(tk-1) cells expressing the human 5-hydroxytryptamine 1F receptor
50014652	1	ChEBML_271	Binding affinity at 5-HT reuptake site labeled with [3H]paroxetine
50014652	2	ChEBML_922	Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT
50044003	1	ChEBML_48815	Inhibitory activity against human Coagulation factor X
50014702	1	ChEBML_214965	Inhibitory effect against human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes
50014217	1	ChEBML_79054	Inhibition of HCV NS5B polymerase
50035445	11	ChEMBL_149007 (CHEMBL757991)	Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.
50035445	12	ChEMBL_147053 (CHEMBL753280)	Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.
50035445	5	ChEMBL_145775 (CHEMBL753431)	Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens
50035445	6	ChEMBL_149008 (CHEMBL758572)	Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.
50035446	8	ChEMBL_201986 (CHEMBL809431)	Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes
50035446	1	ChEMBL_62492 (CHEMBL677549)	Binding affinity for DA transporter using [125I]RTI-55 in frozen rat caudate membranes
50035446	2	ChEMBL_202134 (CHEMBL808123)	Reuptake inhibitory activity against Serotonin transporter
50035446	9	ChEMBL_143116 (CHEMBL747998)	Displacement of from norepinephrine transporter of frozen rat caudate membranes
50035446	6	ChEBML_62643	Reuptake inhibitory activity against dopamine DA transporter
50035446	7	ChEMBL_48038 (CHEMBL666764)	Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes
50035446	3	ChEBML_143127	Reuptake inhibitory activity against NE transporter
50035446	4	ChEMBL_143127 (CHEMBL744171)	Reuptake inhibitory activity against NE transporter
50035446	5	ChEBML_201986	Displacement of [125I]RTI-55 from serotonin transporter of frozen rat caudate membranes
50035446	10	ChEMBL_62643 (CHEMBL676688)	Reuptake inhibitory activity against dopamine DA transporter
50004100	1	ChEBML_154151	Pepsin inhibition using synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe
50004271	1	ChEBML_30804	Inhibition constant against Adenosine deaminase was determined from calf intestinal mucosa
50005085	1	ChEMBL_2263748	Inhibition of CYP3A4 (unknown origin)
50005085	2	ChEMBL_2263749	Inhibition of CYP2D6 (unknown origin)
50005085	3	ChEMBL_2263750	Inhibition of CYP1A2 (unknown origin)
50004739	1	ChEMBL_152588 (CHEMBL759766)	Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency
50004739	6	ChEMBL_152589 (CHEMBL759767)	Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyl-transferase inhibitory potency
50004739	5	ChEBML_152576	Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyl-transferase inhibitory potency
50004739	7	ChEMBL_152578 (CHEMBL759756)	In vitro inhibitory potency was measured against phenylethanolamine N-methyl-transferase
50041084	1	ChEMBL_54243 (CHEMBL668120)	Inhibition against dihydrofolate reductase enzyme of Escherichia coli
50020830	5	ChEMBL_444829 (CHEMBL895080)	Agonistic potency at human adrenergic alpha-2A receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation
50041084	2	ChEMBL_54789 (CHEMBL667866)	Inhibition against dihydrofolate reductase enzyme of rat liver
50041085	1	ChEMBL_76500 (CHEMBL687609)	Antagonism of the isoprenaline-induced positive chronotropic effect on the atria of guinea pig
50004294	1	ChEBML_196263	Inhibition of human amniotic renin was tested and determined by Dixon plots
50004294	2	ChEMBL_196263 (CHEMBL803240)	Inhibition of human amniotic renin was tested and determined by Dixon plots
50004771	5	ChEMBL_30932 (CHEMBL647741)	Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined before heating
50004771	3	ChEMBL_30809 (CHEMBL645084)	Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius
50004771	1	ChEMBL_30810 (CHEMBL645085)	Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined after heating to 100 degrees celsius
50004771	4	ChEBML_30810	Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined after heating to 100 degrees celsius
50041086	3	ChEMBL_210577 (CHEMBL816528)	Concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.
50041088	2	ChEMBL_54754 (CHEMBL667812)	Ability to inhibit Lactobacillus casei dihydrofolate reductase in vitro was determined
50041088	3	ChEMBL_208959 (CHEMBL814578)	Ability to inhibit Lactobacillus casei thymidylate synthase in vitro was determined
50003444	4	ChEBML_178942	Anxiolytic activity by displacement of [3H]diazepam from GABA-A receptor in rat synaptosomal membranes
50041089	2	ChEMBL_2900 (CHEMBL617617)	Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation
50041089	1	ChEMBL_2901 (CHEMBL875914)	Antagonistic against 5-hydroxytryptamine 2B receptor
50003637	1	ChEMBL_208176 (CHEMBL819082)	Compound was tested for the binding affinity to thymidine kinase from HeLa cytosol
50003637	2	ChEMBL_207853 (CHEMBL810062)	Compound was tested for the binding affinity to thymidine kinase from Varicella zoster virus infected human cells
50003637	3	ChEMBL_207844 (CHEMBL810053)	Compound was tested for the binding affinity to thymidine kinase from HSV-1 infected HeLa Bu
50035457	2	ChEBML_152417	The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase
50035458	2	ChEBML_145899	Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle preparation of mouse vas deferens
50035458	1	ChEBML_147111	Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparation of guinea pig ileum
50035462	1	ChEBML_217696	Compound was evaluated for the inhibition of dTMP synthetase with respect to dUMP.
50041091	1	ChEMBL_201156 (CHEMBL802181)	Inhibitory activity against spermidine synthase
50035467	1	ChEBML_30975	Compound was evaluated for the inhibition of adenosine deaminase
50004126	2	ChEMBL_217700 (CHEMBL821239)	The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei
50004126	1	ChEBML_217700	The compound was evaluated for the inhibition of dTMP synthetase from Lactobacillus casei
50003853	1	ChEBML_129897	In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brain slices
50003853	2	ChEBML_129898	In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices
50003853	3	ChEMBL_129897 (CHEMBL740142)	In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brain slices
50003853	4	ChEMBL_129898 (CHEMBL740143)	In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices
50035469	1	ChEMBL_49269 (CHEMBL662976)	Inhibition of choline acetyltransferase isolated from squid head ganglia
50004131	1	ChEBML_217701	The compound was tested for inhibition of dTMP synthetase from Lactobacillus casei
50035470	1	ChEBML_196269	Antihypertensive activity against human renin
50035472	2	ChEMBL_152573 (CHEMBL759751)	In vitro inhibitory activity against human phenylethanolamine N-methyl-transferase
50035474	2	ChEMBL_36886 (CHEMBL648346)	Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%
50041094	1	ChEMBL_39172 (CHEMBL654469)	Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria
50041094	3	ChEMBL_37108 (CHEMBL650948)	Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria
50004123	1	ChEBML_54894	Concentration required to inhibit Lactobacillus casei derived Dihydrofolate reductase activity by 50%
50041096	1	ChEMBL_2918 (CHEMBL617633)	The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus
50004095	1	ChEBML_54543	Binding affinity for Escherichia coli Dihydrofolate reductase
50035476	12	ChEMBL_32058 (CHEMBL644156)	Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, non competitive inhibition
50035476	17	ChEMBL_32230 (CHEMBL645749)	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP non competitive inhibition
50035476	8	ChEMBL_32052 (CHEMBL873039)	Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, non competitive inhibition
50035476	18	ChEMBL_32051 (CHEMBL644151)	Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition
50035476	7	ChEBML_32055	Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition
50035476	13	ChEMBL_29908 (CHEMBL642753)	Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, non competitive inhibition
50035476	4	ChEMBL_29909 (CHEMBL642754)	Inhibitory activity against rat adenylate kinase II (AK-II) isoenzyme was determined in the presence of ATP, non competitive inhibition
50035477	5	ChEMBL_160242 (CHEMBL767856)	Inhibition of rat kidney pyruvate kinase (PK-K)
50035477	13	ChEMBL_160249 (CHEMBL767863)	Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor
50035477	10	ChEMBL_160246 (CHEMBL767860)	Michaelis-Menten constant for inhibition of rat kidney pyruvate kinase (PK-K)
50035477	9	ChEMBL_160251 (CHEMBL767865)	Inhibition of rat liver pyruvate kinase (PK-L) at 3.6 mM
50035477	6	ChEMBL_160252 (CHEMBL767866)	Inhibition of rat liver pyruvate kinase (PK-L); (relative inhibitory potency)
50035477	1	ChEMBL_160250 (CHEMBL767864)	Inhibition of rat liver pyruvate kinase (PK-L) at 10.7 mM
50004464	1	ChEBML_142786	Inhibitory activity against Norepinephrine N-methyl-transferase of bovine adrenal glands
50035478	1	ChEBML_54607	Tested for inhibition of dihydrofolate reductase enzyme
50035479	1	ChEBML_142787	Inhibitory activity against bovine adrenal norepinephrine N-methyl-transferase was determined
50004475	1	ChEBML_142788	Tested for inhibitory activity against bovine adrenal norepinephrine N-methyl-transferase using phenylethanolamine as substrate
50041099	1	ChEMBL_37080 (CHEMBL650921)	In vitro ability to block beta-1 adrenergic receptor in guinea pig right atria.
50041099	3	ChEMBL_41538 (CHEMBL654945)	The compound was tested in vitro for its ability to block Beta-1 adrenergic receptor in guinea pig trachea
50041099	6	ChEMBL_37085 (CHEMBL650926)	The compound was tested in vitro for its ability to block Beta-1 adrenergic receptor in guinea pig right atria
50041099	7	ChEMBL_41540 (CHEMBL654947)	The compound was tested in vitro for its ability to block beta-2-adrenergic receptor in guinea pig trachea
50041099	5	ChEMBL_41539 (CHEMBL654946)	The compound was tested in vitro for its ability to block Beta-1 adrenergic receptor n guinea pig trachea
50041099	2	ChEMBL_76826 (CHEMBL690654)	In vivo inhibition of Beta-1 adrenergic receptor in guinea pig right atria after 40 min
50041100	1	ChEMBL_37082 (CHEMBL650923)	Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation
50041100	2	ChEMBL_37086 (CHEMBL650927)	The compound was tested in vitro for its ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation
50041100	3	ChEMBL_38009 (CHEMBL655219)	Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation
50041100	5	ChEMBL_76828 (CHEMBL690656)	Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min
50041100	7	ChEMBL_76827 (CHEMBL690655)	Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h
50020830	7	ChEMBL_444835 (CHEMBL895086)	Displacement of [3H]RX 821002 from human adrenergic alpha-2c receptor expressed in CHO cells in presence of GppNHp/Na
50041100	6	ChEMBL_37081 (CHEMBL650922)	The compound was tested in vitro for its ability to block Beta-1 adrenergic receptor in guinea pig right atria
50035482	1	ChEBML_76213	Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum
50041101	1	ChEBML_146492	Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined
50035483	3	ChEBML_148689	Inhibition of [3H]-naloxone binding to mu receptor in rat brain homogenate
50035483	1	ChEBML_147114	Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay
50035483	7	ChEMBL_147176 (CHEMBL754475)	Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to Opioid receptor delta 1 in the rat brain homogenate
50035483	4	ChEMBL_149138 (CHEMBL759229)	Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate
50035483	5	ChEMBL_146244 (CHEMBL753436)	Inhibitory potency against mu receptor in guinea pig ileum assay
50035483	21	ChEMBL_148688 (CHEMBL751062)	Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate
50035483	8	ChEMBL_145901 (CHEMBL750390)	Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay
50035483	16	ChEMBL_222115 (CHEMBL843711)	Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate
50035483	2	ChEBML_146768	Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate
50035483	22	ChEMBL_146768 (CHEMBL755212)	Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate
50035483	11	ChEMBL_148689 (CHEMBL751063)	Inhibition of [3H]-naloxone binding to mu receptor in rat brain homogenate
50035483	14	ChEMBL_148527 (CHEMBL755188)	Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to delta receptor in the rat brain homogenate
50004146	1	ChEMBL_31464 (CHEMBL647986)	Inhibitory concentration was determined against partially purified calf lens aldose reductase using glyceraldehyde as a substrate; 10e-7/10e-8
50004146	2	ChEMBL_31462 (CHEMBL647984)	Inhibitory concentration was determined against partially purified calf lens aldose reductase using glyceraldehyde as a substrate; 10e-4/10e-5
50001997	1	ChEBML_30523	The compound was tested for the inhibition of alanine racemase from Pseudomonas aeruginosa
50004334	1	ChEBML_54593	Inhibition of Dihydrofolate reductase in mouse L1210 cells
50035486	1	ChEBML_75662	Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain
50035486	4	ChEBML_39959	Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain
50005085	4	ChEMBL_2263751	Inhibition of CYP2C9 (unknown origin)
50005085	5	ChEMBL_2263752	Inhibition of CYP2C19 (unknown origin)
50005085	6	ChEMBL_2263757	Inhibition of hERG
50005253	1	ChEMBL_2263791	Inhibition of iNOS expression in LPS-induced mouse RAW264.7 cells
50005253	2	ChEMBL_2263796	Inhibition of CDK2 (unknown origin)
50005253	3	ChEMBL_2263808	Inhibition of AChE (unknown origin)
50005253	4	ChEMBL_2263811	Inhibition of MAO-A (unknown origin)
50005253	5	ChEMBL_2263812	Inhibition of MAO-B (unknown origin)
50005253	6	ChEMBL_2263813	Inhibition of DGAT1 (unknown origin)
50005253	7	ChEMBL_2263814	Inhibition of PTP1B (unknown origin)
50003676	3	ChEMBL_155677 (CHEMBL763060)	Inhibition of bovine heart phosphodiesterase
50048638	1	ChEMBL_53618 (CHEMBL663687)	Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.
50035490	2	ChEBML_197049	In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine
50035490	1	ChEMBL_197049 (CHEMBL806288)	In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in absence of putrescine
50041105	7	ChEMBL_36220 (CHEMBL647916)	Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats
50041105	1	ChEMBL_36222 (CHEMBL647918)	Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats
50041105	2	ChEMBL_36221 (CHEMBL647917)	Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats
50035492	19	ChEMBL_32063 (CHEMBL644161)	Non competitive binding inhibition constant(Ki) of rat adenylate kinase (AK III) isozymes was determined
50035493	7	ChEMBL_123831 (CHEMBL734269)	Noncompetitive inhibition against rat mitochondrial thymidine kinase
50035493	6	ChEMBL_208199 (CHEMBL819102)	Affinity towards cytoplasmic Thymidine kinase relative ot TdR; expressed as KM (TdR)/Ki
50035493	3	ChEMBL_123825 (CHEMBL734263)	Competitive inhibition against rat Mitochondrial thymidine kinase
50035493	1	ChEBML_123825	Competitive inhibition against rat Mitochondrial thymidine kinase
50035493	5	ChEMBL_123830 (CHEMBL734268)	Non-competitive inhibition against rat mitochondrial thymidine kinase
50035493	10	ChEMBL_208200 (CHEMBL878648)	Competitive inhibition against rat cytoplasmic Thymidine kinase
50035493	9	ChEMBL_123834 (CHEMBL872651)	Competitive inhibition against rat mitochondrial thymidine kinase
50005253	8	ChEMBL_2263815	Inhibition of alpha-glucosidase (unknown origin)
50006137	1	ChEMBL_2263816	Inhibition of beta 1 proteasome (unknown origin)
50041106	1	ChEMBL_29964 (CHEMBL640398)	50% inhibition of human placental alkaline phosphatase in the presence of 10 mM p-nitrophenyl phosphate as substrate
50002007	36	ChEMBL_38486 (CHEMBL652396)	Binding affinity against the beta-2 adrenergic receptor using [3H]- DHA
50002007	13	ChEMBL_37531 (CHEMBL647374)	Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]DHA
50035496	1	ChEMBL_123829 (CHEMBL734267)	Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat mitochondrial thymidine kinase
50002007	5	ChEMBL_38605 (CHEMBL652288)	Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]DHA
50002007	34	ChEBML_38605	Binding affinity against beta-2 adrenergic receptor in rat brain using [3H]DHA
50035496	5	ChEMBL_123828 (CHEMBL734266)	Evaluated for the competitive inhibition constant Ki against ATP varied rat mitochondrial thymidine kinase
50035496	7	ChEMBL_202761 (CHEMBL807846)	Evaluated for the mixed objective Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase
50035498	3	ChEBML_209108	In vitro inhibition of activity against Lactobacillus casei enzyme thymidylate synthase
50002007	15	ChEMBL_37535 (CHEMBL647617)	Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]DHA
50035498	2	ChEBML_54601	In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells
50035500	7	ChEMBL_39160 (CHEMBL650686)	Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart
50035500	2	ChEBML_37821	Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.
50003685	2	ChEMBL_36888 (CHEMBL648348)	Concentration required for 50% inhibition of Angiotensin I converting enzyme
50035503	2	ChEBML_64504	50% Inhibitory potency against enkephalinase from mouse striatum.
50035503	4	ChEMBL_64504 (CHEMBL676649)	50% Inhibitory potency against enkephalinase from mouse striatum.
50035503	1	ChEMBL_36914 (CHEMBL647115)	50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.
50035503	3	ChEBML_36914	50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.
50035505	3	ChEMBL_192918 (CHEMBL799835)	Inhibitory activity against hog kidney renin (Non-competitive inhibition)
50035505	1	ChEMBL_196267 (CHEMBL872598)	Inhibitory activity against human amniotic renin (competitive inhibition)
50002007	14	ChEBML_37535	Binding affinity against beta-1 adrenergic receptor in rat brain using [3H]DHA
50035506	1	ChEMBL_89037 (CHEMBL696703)	Inhibitory constant towards indole N-methyl-transferase
50003959	4	ChEMBL_217187 (CHEMBL821511)	Inhibition of human lung low-affinity cAMP phosphodiesterases (10-50 uM/L)
50003959	3	ChEBML_217497	Inhibition of human lung high-affinity cGMP phosphodiesterases (0.5-2 uM/L)
50002007	23	ChEMBL_28531 (CHEMBL640699)	Binding affinity towards rat brain adenosine A1 receptor using [3H]- CHA
50003738	4	ChEBML_146973	Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1
50002007	25	ChEMBL_28533 (CHEMBL640701)	Binding affinity towards adenosine A1 receptor using [3H]- CHA
50003738	2	ChEBML_146486	Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1
50035509	5	ChEMBL_33785 (CHEMBL647357)	Agonistic activity against alpha alpha-2 adrenergic receptor in isolated, field -simulated vas deferens from rats
50035509	4	ChEMBL_33034 (CHEMBL648049)	Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]prazosin as the radioligand
50035509	7	ChEMBL_33709 (CHEMBL647532)	Agonist activity against alpha-1 adrenergic receptor from rat vas deferens
50002007	24	ChEBML_28531	Binding affinity towards rat brain adenosine A1 receptor using [3H]- CHA
50035509	2	ChEBML_33034	Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]prazosin as the radioligand
50004158	1	ChEBML_27992	Inhibitory constant against eel acetylcholinesterase at pH 7.0
50035513	1	ChEBML_35222	In vitro inhibitory activity against Angiotensin I converting enzyme
50035513	2	ChEMBL_35222 (CHEMBL884028)	In vitro inhibitory activity against Angiotensin I converting enzyme
50003815	4	ChEMBL_53296 (CHEMBL663134)	Concentration required for 50% inhibition against dihydrofolate reductase of Lactobacillus casei
50003815	3	ChEBML_53297	Concentration required for 50% inhibition against dihydrofolate reductase of Streptococcus faecium
50041109	1	ChEMBL_32934 (CHEMBL646076)	In vitro presynaptic agonist potency at alpha-2 adrenergic receptor in rat or mouse vas deferens relative to clonidine
50003817	2	ChEBML_210303	Inactivation of thymidylate synthetase measured as Ki at 6.8 pH 30 degrees Celsius temp
50003817	1	ChEMBL_210303 (CHEMBL808548)	Inactivation of thymidylate synthetase measured as Ki at 6.8 pH 30 degrees Celsius temp
50002011	2	ChEBML_145677	Compound was evaluated for the agonistic activity against Opioid receptor kappa 1 in rabbit vas deferens.
50002011	6	ChEBML_146782	Compound was evaluated for the inhibition of [3H]DSLET([[3H]D-Ser2,Leu5,Thr6]enkephalin binding to Opioid receptor delta 1 in rat brain homogenates.
50002011	1	ChEBML_148716	Compound was evaluated for the inhibition of [3H]DAGO([[3H]D-Ala,MePhe4,Glyol5]enkephalin) binding to mu sites in rat brain homogenates.
50035520	7	ChEBML_756	Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)
50002011	5	ChEBML_146984	Compound was evaluated for the agonistic activity against Opioid receptor mu 1 in guinea pig ileum.
50035520	1	ChEBML_144836	Effect on synaptosomal uptake inhibition of Noradrenaline (NA)
50035520	8	ChEMBL_216103 (CHEMBL817692)	Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor
50035520	9	ChEMBL_60178 (CHEMBL675878)	Effect on synaptosomal uptake inhibition of Dopamine receptor
50035520	12	ChEMBL_62002 (CHEMBL670185)	Effect on synaptosomal uptake inhibition of Dopamine transporter
50002011	3	ChEBML_146074	Compound was evaluated for the inhibition of [3H]bremazocine binding to Opioid receptor kappa 1 in guinea pig cerebellum membrane homogenates.
50035520	3	ChEBML_62002	Effect on synaptosomal uptake inhibition of Dopamine transporter
50035520	6	ChEMBL_756 (CHEMBL615858)	Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)
50035520	13	ChEMBL_144836 (CHEMBL750462)	Effect on synaptosomal uptake inhibition of Noradrenaline (NA)
50002011	4	ChEBML_145186	Compound was evaluated for the agonistic activity against Opioid receptor delta 1 in hamster vas deferens.
50041110	2	ChEMBL_39350 (CHEMBL654957)	In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations
50041110	1	ChEMBL_38001 (CHEMBL651635)	In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha
50003590	1	ChEBML_85066	In vitro antihistamine activity by activation of 4-methylhistamine mediated by Histamine H2 receptor
50035522	2	ChEMBL_34789 (CHEMBL643766)	In vitro inhibition of Angiotensin I converting enzyme
50035522	1	ChEBML_34789	In vitro inhibition of Angiotensin I converting enzyme
50035523	3	ChEMBL_34790 (CHEMBL643767)	In vitro inhibition of angiotensin I converting enzyme (ACE)
50003742	3	ChEMBL_210410 (CHEMBL814139)	Antiparasitic activity against thiamine transporter of Eimeria tenella
50002022	1	ChEBML_157760	In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).
50002022	2	ChEMBL_157760 (CHEMBL768679)	In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).
50002022	3	ChEMBL_157759 (CHEMBL768678)	In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)
50003923	3	ChEMBL_3517 (CHEMBL619187)	Evaluated for inhibition of specific [3H]5-HT receptor binding in rat cortex.
50003871	9	ChEMBL_138647 (CHEMBL749276)	Dissociation constant towards Muscarinic acetylcholine receptor was determined by using [3H]4NMPB as radioligand
50035523	1	ChEBML_164871	In vitro inhibition of angiotensin converting enzyme
50035523	2	ChEMBL_164871 (CHEMBL772279)	In vitro inhibition of angiotensin converting enzyme
50003742	2	ChEMBL_210409 (CHEMBL814138)	Antiparasitic activity against thiamine transporter of chicken intestine
50003611	1	ChEBML_208395	In vitro non-competitive inhibition of cleavage of Thymidine (dThd) phosphorylase isolated from Lewis lung carcinoma.
50035524	1	ChEBML_61426	Concentration that produces 50 % displacement of specific [3H]spiroperidol binding to rat caudate membrane preparations.
50003871	11	ChEMBL_41561 (CHEMBL655898)	-Log (Ki) value for butyrylcholinesterase by inhibiting DFP
50003871	4	ChEMBL_41572 (CHEMBL654866)	Compound was evaluated for the protection of butyrylcholinesterase against DFT in mice and expressed as Ki.
50003871	8	ChEMBL_41570 (CHEMBL654864)	Compound was evaluated for the protection of butyrylcholinesterase against DFT in mice
50003871	10	ChEMBL_138645 (CHEMBL749274)	Dissociation constant towards Muscarinic acetylcholine receptor was determined by using [3H]4NMPB as radioligand
50048663	1	ChEMBL_158146 (CHEMBL767951)	Inhibition of PG synthetase activity obtained from bovine seminal vesicles
50003841	1	ChEBML_217699	The apparent association constant (Ki) with dTMP synthetase enzyme from chick embryo in the absence of CH2-H4 folate was evaluated
50003841	2	ChEBML_217706	Compound was evaluated for average apparent binding constant (Kd ) using Scatchard analysis to dTMP synthetase enzyme from chick embryo
50003871	6	ChEBML_41572	Compound was evaluated for the protection of butyrylcholinesterase against DFT in mice and expressed as Ki.
50041113	2	ChEMBL_39341 (CHEMBL653378)	Beta-1 adrenergic receptor blocking activity in atria of guinea pig.
50003800	4	ChEMBL_192917 (CHEMBL799834)	Compound was evaluated for Non-competitive Renin inhibitory activity against hog kidney renin; Non competitive
50003800	2	ChEMBL_196258 (CHEMBL803235)	Compound was evaluated for competitive Renin inhibitory activity against human amniotic renin; Competitive
50035525	2	ChEBML_177196	Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT
50035525	4	ChEMBL_177196 (CHEMBL782596)	Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HT
50035525	5	ChEMBL_177242 (CHEMBL783715)	Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrine
50035525	6	ChEMBL_177229 (CHEMBL783703)	Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamine
50035525	1	ChEBML_177229	Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamine
50035525	3	ChEBML_177242	Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrine
50035526	4	ChEMBL_146640 (CHEMBL754924)	The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes
50035526	2	ChEMBL_146641 (CHEMBL754925)	The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)
50035526	3	ChEBML_146640	The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes
50003845	1	ChEMBL_54924 (CHEMBL666410)	Inhibition constant of compound against Lactobacillus casei dihydrofolate reductase
50035530	1	ChEMBL_209774 (CHEMBL815564)	Inhibitory activity against human thymidylate synthase with variable concentration of dUMP and fixed N5,10-CH2-H4PteGlu (200 uM)
50035530	3	ChEMBL_209657 (CHEMBL811597)	Inhibitory activity against human thymidylate synthase with variable concentration of N5, 10-CH2-H4PteGlu and fixed dUMP (100 uM)
50035530	2	ChEBML_209657	Inhibitory activity against human thymidylate synthase with variable concentration of N5, 10-CH2-H4PteGlu and fixed dUMP (100 uM)
50035534	2	ChEMBL_50810 (CHEMBL658011)	Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP
50041116	3	ChEMBL_54525 (CHEMBL858266)	Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).
50041116	2	ChEMBL_54524 (CHEMBL663871)	Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).
50041116	1	ChEBML_54524	Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).
50003829	1	ChEBML_31634	Inhibition of bovine lens aldose reductase with DL-glyceraldehyde as substrate
50035535	1	ChEBML_30786	Binding affinity against calf intestine adenosine deaminase enzyme
50035536	1	ChEBML_35365	Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and Ki* was reported which is obtained by the equation Ki[k4/(k3 + k4)]
50035536	13	ChEMBL_98521 (CHEMBL706541)	Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inhibitor
50035536	7	ChEMBL_98520 (CHEMBL856600)	Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inhibitor
50035536	2	ChEMBL_35363 (CHEMBL874110)	Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inhibition constant was determined after preincubating the enzyme and inhibitor
50035536	8	ChEMBL_35358 (CHEMBL647940)	Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) from porcine kidney and the inhibition constant was determined after preincubating the enzyme and inhibitor
50035536	11	ChEMBL_35365 (CHEMBL647946)	Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and Ki* was reported which is obtained by the equation Ki[k4/(k3 + k4)]
50035536	6	ChEMBL_98518 (CHEMBL706539)	Effect of inhibitor structure on the slow binding inhibition of Leucine aminopeptidase was determined and Ki* was reported which is obtained by the equation Ki[k4/(k3 + k4)]
50035536	17	ChEMBL_98522 (CHEMBL706542)	Effect of inhibitor structure on the slow binding inhibition of Leucine aminopeptidase was determined and Ki* was reported which is obtained by the equation Ki[k4/(k3 + k4)]
50035536	10	ChEMBL_35361 (CHEMBL647943)	Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and Ki* was reported which is obtained by the equation Ki[k4/(k3 + k4)]
50035536	15	ChEMBL_98519 (CHEMBL706540)	Effect of inhibitor structure on the slow binding inhibition of Leucine aminopeptidase was determined and the Ki was reported which is = k2/k1
50002038	2	ChEMBL_59342 (CHEMBL668766)	Displacement of [3H]spiroperidol from bovine caudate nucleus membrane Dopamine receptor D2
50002038	3	ChEMBL_216121 (CHEMBL857628)	Binding affinity towards dopamine receptor D2 was determined by displacement of [3H]spiroperidol from bovine nucleus caudate membranes.
50002038	1	ChEBML_59343	Binding affinity towards dopamine receptor D2 was determined by displacement of [3H]spiroperidol from bovine nucleus caudate membranes.
50035536	18	ChEMBL_35357 (CHEMBL647939)	Compound was evaluated for the inhibitory activity against aminopeptidase M
50035536	9	ChEMBL_35362 (CHEMBL647944)	Effect of inhibitor structure on the slow binding inhibition of aminopeptidase M was determined and the Ki was reported which is = k2/k1
50002041	1	ChEMBL_62873 (CHEMBL673584)	In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]spiperone
50002041	4	ChEMBL_62876 (CHEMBL673587)	In vitro binding affinity for Dopamine receptor D2 of rat striatum labeled with [3H]-spiperone was determined
50002041	2	ChEMBL_62875 (CHEMBL673586)	In vitro binding affinity for Dopamine receptor D2 of rat nucleus accumbens labeled with [3H]spiperone was determined at 10 uM concentration.
50002041	3	ChEBML_62876	In vitro binding affinity for Dopamine receptor D2 of rat striatum labeled with [3H]-spiperone was determined
50035536	14	ChEMBL_35360 (CHEMBL647942)	Effect of inhibitor structure on the slow binding inhibition of Aminopeptidase M from porcine kidney was determined and the Ki was reported which is = k2/k1
50035536	3	ChEMBL_35364 (CHEMBL647945)	Compound was evaluated for the inhibition of Aminopeptidase M (AP-M) and the inhibition constant was determined after preincubating the enzyme and inhibitor Value in the parentheses is IC50 (uM).
50035538	28	ChEMBL_34053 (CHEMBL643910)	Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenergic receptor
50035538	8	ChEMBL_164466 (CHEMBL770732)	Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor.
50035538	40	ChEMBL_33845 (CHEMBL649282)	50% inhibition of specific [3H]prazosin binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes
50035538	35	ChEMBL_33924 (CHEMBL647558)	Binding affinity against alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported.
50035538	37	ChEMBL_33844 (CHEMBL649281)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.4 nM) to rat isolated brain membranes by 50% was reported.
50035538	22	ChEMBL_33912 (CHEMBL645521)	50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes
50003924	1	ChEBML_53634	In vitro ability to inhibit the Dihydrofolate reductase extracted from beef liver.
50041119	1	ChEMBL_36028 (CHEMBL646429)	Inhibitory activity against Arabinose-5-phosphate isomerase
50035540	2	ChEBML_35058	Ability to inhibit Angiotensin I converting enzyme was determined
50041121	2	ChEMBL_39343 (CHEMBL655647)	Compound was evaluated for competitive antagonism of beta-1 adrenergic receptor in guinea pig atria measured as pA2 (-log KB)
50004080	1	ChEBML_54451	Inhibitory activity towards dihydrofolate reductase in L1210 murine leukemia cell lines
50035541	3	ChEBML_184434	Inhibition of norepinephrine (NE) into rat brain synaptosomes
50035541	4	ChEMBL_184434 (CHEMBL789206)	Inhibition of norepinephrine (NE) into rat brain synaptosomes
50035541	2	ChEBML_184435	Inhibition of dopamine (DA) uptake into rat brain synaptosomes
50035541	5	ChEMBL_184436 (CHEMBL789208)	Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes
50035541	1	ChEBML_184436	Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes
50035541	6	ChEMBL_184435 (CHEMBL789207)	Inhibition of dopamine (DA) uptake into rat brain synaptosomes
50004093	2	ChEBML_139742	Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum
50041122	1	ChEMBL_65612 (CHEMBL675406)	Concentration at 2 uM that inhibits 50%of acetylcholinesterase activity evaluated in vitro at a pH of 8 in the presence of 7.5x10E-4 acetylthiocholine
50041123	1	ChEMBL_29075 (CHEMBL642842)	Effect on Acetylcholinesterase activity in rat brain homogenates
50041123	2	ChEMBL_29076 (CHEMBL642843)	Effect on Acetylcholinesterase activity in rat erythrocytes
50035545	1	ChEBML_34798	In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme
50035545	2	ChEMBL_34798 (CHEMBL644414)	In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme
50035547	1	ChEBML_29335	Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain
50002258	1	ChEMBL_34933 (CHEMBL647678)	Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5
50002258	6	ChEMBL_34908 (CHEMBL648444)	Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8
50002258	9	ChEMBL_34927 (CHEMBL647672)	Binding affinity against Angiotensin I converting enzyme
50002258	7	ChEMBL_34907 (CHEMBL648443)	Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs
50002258	2	ChEMBL_34934 (CHEMBL647777)	Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8.3
50002258	5	ChEMBL_34909 (CHEMBL648445)	Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in NaCl buffer
50002258	3	ChEMBL_34800 (CHEMBL644416)	Inhibitory activity against Angiotensin I converting enzyme was evaluated
50002258	8	ChEMBL_34910 (CHEMBL648446)	Inhibitory constant was evaluated against Angiotensin I converting enzyme from rabbit lungs at pH 8 in TRIS phosphate/borate buffer
50003360	4	ChEMBL_209955 (CHEMBL820611)	Inhibitory activity against thymidylate synthase
50003360	3	ChEMBL_54592 (CHEMBL667315)	Binding affinity was evaluated against dihydrofolate reductase
50035548	1	ChEBML_34781	Inhibition of Angiotensin I converting enzyme
50035549	1	ChEBML_35221	Inhibition of Angiotensin I converting enzyme in rat
50035549	2	ChEMBL_35221 (CHEMBL648944)	Inhibition of Angiotensin I converting enzyme in rat
50035550	3	ChEBML_195967	Plasma renin inhibitory activity was evaluated in lyophilized human plasma with 0.1%EDTA
50035550	1	ChEBML_35082	Inhibitory activity was evaluated against Angiotensin I converting enzyme activity in rabbit
50006137	2	ChEMBL_2263818	Inhibition of beta2 proteasome (unknown origin)
50006137	3	ChEMBL_2263819	Inhibition of beta5 proteasome (unknown origin)
50003182	4	ChEMBL_31770 (CHEMBL643097)	Inhibitory activity against human placenta aldose reductase
50003182	2	ChEBML_31770	Inhibitory activity against human placenta aldose reductase
50003182	5	ChEMBL_32091 (CHEMBL643667)	Inhibitory activity against rat lens aldose reductase
50003182	1	ChEBML_31635	Inhibitory activity against bovine lens aldose reductase
50035553	2	ChEMBL_30931 (CHEMBL647740)	Inhibitory activity against adenosine deaminase in calf intestine adenosine deaminase with respect to Coformycin
50003167	1	ChEMBL_196261 (CHEMBL803238)	Compound was tested for inhibition of human kidney renin
50002272	3	ChEMBL_34499 (CHEMBL649627)	Evaluated for its ability to displace [3H]rauwolscine from alpha-2 adrenergic receptor of rat cerebral cortex
50002173	1	ChEMBL_215034 (CHEMBL820884)	Tested for inhibition of [3H]LVP binding to vasopressin receptor in medullary membranes of pig kidney.
50002173	2	ChEBML_215034	Tested for inhibition of [3H]LVP binding to vasopressin receptor in medullary membranes of pig kidney.
50002173	3	ChEMBL_215035 (CHEMBL820885)	Tested for inhibition of vasopressin-stimulated adenylate cyclase of medullary membranes of pig kidney.
50035554	2	ChEBML_149014	Evaluated for its ability to displace [3H]DAGO binding to Opioid receptor mu 1 from rat brain homogenate
50035554	1	ChEMBL_149014 (CHEMBL758578)	Evaluated for its ability to displace [3H]DAGO binding to Opioid receptor mu 1 from rat brain homogenate
50035555	11	ChEMBL_162738 (CHEMBL765217)	The compound was tested for inhibition of rabbit plasma renin.
50035555	8	ChEMBL_193377 (CHEMBL798070)	The compound was tested for inhibition of rat plasma renin at pH of 7.4.
50035555	15	ChEMBL_192900 (CHEMBL795262)	Inhibition of Renin
50035555	9	ChEMBL_196268 (CHEMBL883369)	Inhibition of human kidney renin
50035555	2	ChEMBL_196092 (CHEMBL872310)	Inhibition of human plasma renin
50035555	13	ChEMBL_196705 (CHEMBL801532)	The compound was tested for inhibition of rhesus monkey plasma renin.
50035555	5	ChEBML_196268	Inhibition of human kidney renin
50035555	4	ChEMBL_196268 (CHEMBL883369)	Inhibition of human kidney renin
50035555	7	ChEMBL_192919 (CHEMBL799836)	The compound was tested for inhibition of hog kidney renin.
50035555	12	ChEBML_193376	The compound was tested for inhibition of rat plasma renin at pH of 6.0.
50035556	4	ChEMBL_176350 (CHEMBL781943)	Inhibition of noradrenaline uptake in rat synaptosomal fraction
50035556	5	ChEMBL_176338 (CHEMBL784031)	Inhibition of 5-HT uptake in rat synaptosomal fraction
50035556	6	ChEMBL_176345 (CHEMBL783267)	Inhibition of dopamine uptake in rat synaptosomal fraction
50035556	3	ChEBML_176338	Inhibition of 5-HT uptake in rat synaptosomal fraction
50035556	2	ChEBML_176350	Inhibition of noradrenaline uptake in rat synaptosomal fraction
50035556	1	ChEBML_176345	Inhibition of dopamine uptake in rat synaptosomal fraction
50002053	2	ChEMBL_62569 (CHEMBL671500)	Compound was tested for inhibitory activity against the binding of [3H]spiperone to Dopamine receptor D2 in rat striatal membranes
50002053	1	ChEBML_62569	Compound was tested for inhibitory activity against the binding of [3H]spiperone to Dopamine receptor D2 in rat striatal membranes
50035557	2	ChEBML_148683	Evaluated for the inhibition of [3H]naltrexone binding to Opioid receptor mu 1 in rat brain homogenates.
50006137	4	ChEMBL_2263838	Agonist activity at human recombinant CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for 10 mins by fluorescence based assay
50006137	5	ChEMBL_2263840	Inhibition of MMP-2 (unknown origin)
50003248	2	ChEBML_54965	Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM
50003159	3	ChEMBL_154011 (CHEMBL759132)	Inhibition of porcine pepsin
50003159	2	ChEBML_154011	Inhibition of porcine pepsin
50035561	1	ChEBML_85684	Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro
50035562	2	ChEMBL_207779 (CHEMBL809674)	Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes
50035563	1	ChEMBL_54542 (CHEMBL664859)	Binding affinity against Dihydrofolate reductase of Escherichia coli
50035563	3	ChEMBL_54556 (CHEMBL664872)	Relative Binding affinity against Dihydrofolate reductase of Escherichia coli
50006137	6	ChEMBL_2263841	Inhibition of MMP-9 (unknown origin)
50003147	1	ChEMBL_50919 (CHEMBL876701)	Noncompetitive Iinhibitory activity against human liver DHPR enzyme
50002057	4	ChEBML_61441	In vitro binding affinity against Dopamine receptor D2 by displacement of [3H]haloperidol from rat striatal membranes.
50002057	2	ChEMBL_58169 (CHEMBL669075)	Affinity for displacement of [3H]clonidine labeled Dopamine receptor D1
50002057	3	ChEMBL_58166 (CHEMBL669072)	Affinity for displacement of [3H]SCH-23390 labeled Dopamine receptor D1
50002057	5	ChEMBL_58168 (CHEMBL669074)	Affinity for displacement of [3H]WB-4101 labeled Dopamine receptor D1
50003147	2	ChEMBL_50920 (CHEMBL664148)	Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme
50003258	2	ChEMBL_80665 (CHEMBL691950)	In vitro inhibitory activity against HMG CoA reductase
50048688	1	ChEMBL_201215 (CHEMBL804010)	In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand
50048688	2	ChEMBL_34049 (CHEMBL884018)	In vitro inhibitory activity against alpha-2 adrenergic receptor from rat brain minus cerebellum using [3H]clonidine as radioligand
50048688	3	ChEMBL_33991 (CHEMBL643447)	In vitro inhibitory activity against alpha-1 adrenergic receptor from whole rat brain using [3H]WB-4101 as radioligand
50048688	4	ChEMBL_201216 (CHEMBL873121)	In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand
50035563	2	ChEBML_54542	Binding affinity against Dihydrofolate reductase of Escherichia coli
50048688	5	ChEMBL_59585 (CHEMBL672936)	In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]spiperone as radioligand
50048688	6	ChEMBL_59584 (CHEMBL672935)	In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]dopamine as radioligand
50003258	1	ChEBML_80665	In vitro inhibitory activity against HMG CoA reductase
50048696	1	ChEMBL_33901 (CHEMBL645510)	Ability to inhibit 50% specific binding of [3H]-p-amino clonidine radioligand to alpha-2 adrenergic receptor in rat cerebrocortex
50048696	2	ChEMBL_33157 (CHEMBL642942)	Ability to inhibit 50% specific binding of [3H]prazosin radioligand to alpha-1 adrenergic receptor in rat cerebrocortex
50048696	3	ChEMBL_33721 (CHEMBL884034)	Ability to inhibit 50% specific binding of [3H]prazosin radioligand to alpha-1 adrenergic receptor in rat cerebrocortex
50048697	1	ChEMBL_143177 (CHEMBL749840)	50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate
50035569	2	ChEBML_152425	Inhibition constant was evaluated against PNMT
50035569	1	ChEBML_87234	Inhibition constant was evaluated against Histamine N-methyl-transferase
50003176	2	ChEMBL_31779 (CHEMBL643105)	Inhibitory activity against human placental aldose reductase in Orange A column at day 8
50003176	13	ChEMBL_31777 (CHEMBL643103)	Inhibitory activity against human placental aldose reductase in Orange A column at at time 2
50003176	3	ChEMBL_31776 (CHEMBL643102)	Inhibitory activity against human placental aldose reductase in Orange A column at at day 2
50003176	1	ChEMBL_31778 (CHEMBL643104)	Inhibitory activity against human placental aldose reductase in Orange A column at day 2
50003176	12	ChEMBL_31783 (CHEMBL643109)	Inhibitory activity against human placental aldose reductase in Sepharose 4B column at time 1
50003176	6	ChEMBL_31780 (CHEMBL643106)	Inhibitory activity against human placental aldose reductase in Orange A column at time 2
50003176	10	ChEMBL_31782 (CHEMBL643108)	Inhibitory activity against human placental aldose reductase in Sepharose 4B column at day 7
50003176	8	ChEMBL_31781 (CHEMBL643107)	Inhibitory activity against human placental aldose reductase in Sepharose 4B column at day 1
50003176	7	ChEMBL_31775 (CHEMBL643101)	Inhibitory activity against human placental aldose reductase in 30 -70% (NH4)2SO4.
50006137	7	ChEMBL_2263842	Binding affinity to Cathepsin B (unknown origin) assessed as inhibition constant
50006137	8	ChEMBL_2263843	Binding affinity to Cathepsin L (unknown origin) assessed as inhibition constant
50006137	9	ChEMBL_2263844	Inhibition of human cathepsin K
50006137	10	ChEMBL_2263845	Inhibition of human cathepsin L
50035574	1	ChEMBL_208005 (CHEMBL872716)	Binding affinity against HSV-2(333) enzyme thymidine kinase
50035575	2	ChEBML_53636	In vitro inhibitory concentration against beef liver dihydrofolate reductase
50035575	3	ChEMBL_210167 (CHEMBL813849)	In vitro inhibitory concentration against Lactobacillus casei thymidylate synthetase
50003310	1	ChEMBL_201212 (CHEMBL804008)	Intrinsic affinity towards serotonin receptor from rat frontal cortex by displacement of [3H]5-HT
50035577	4	ChEMBL_147284 (CHEMBL755437)	Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor delta 1 at a temperature 25 degree Celsius labeled with [3H](D-Ala2-D-Leu5)-enkephalin (0.7 nM)
50035577	3	ChEBML_146686	Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor kappa 1 at temperature 25 degree Celsius labeled with (-)-[3H]immazocine (0.1 nM).
50035577	2	ChEBML_147283	Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor delta 1 at a a temperature 25 degree Celsius labeled with [3H](D-Ala2-D-Leu5)-enkephalin (0.7 nM)
50035577	1	ChEBML_145304	Inhibitory binding constant in guinea pig brain homogenate was reported at mu site at a temperature 25 degree Centigrade labeled with [3H](D-Ala2-MePhe4,Gly-ol5)enkephalin(1 nM)
50003316	1	ChEBML_54600	In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice
50035578	5	ChEMBL_28966 (CHEMBL640606)	Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine
50038365	1	ChEMBL_471789 (CHEMBL939997)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50038365	3	ChEMBL_471788 (CHEMBL939996)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells
50038381	59	ChEMBL_473600 (CHEMBL939365)	Inhibition of PDGFRbeta
50002069	14	ChEBML_58529	Displacement of [3H]haloperidol from Dopamine receptor D2 in rat brain
50038381	12	ChEMBL_473613 (CHEMBL939381)	Binding affinity at MLCK
50002069	9	ChEMBL_28516 (CHEMBL642855)	Displacement of [3H]CHA (N6-Cyclohexyl adenosine) from adenosine A1 receptor in rat brain
50002069	11	ChEBML_28517	Displacement of [3H]-CHA (N6-Cyclohexyl adenosine) from adenosine A1 receptor in rat brain
50038381	55	ChEMBL_473565 (CHEMBL940057)	Inhibition of EGFR
50038381	17	ChEMBL_473637 (CHEMBL937654)	Inhibition of GSK3-beta
50002069	8	ChEBML_37530	Displacement of [3H]DHA (Dihydroalprenolol) from beta-1 adrenergic receptor in rat brain
50038381	83	ChEMBL_473594 (CHEMBL939359)	Inhibition of PKCalpha
50038381	49	ChEMBL_473638 (CHEMBL937655)	Inhibition of Cdk5
50038381	16	ChEMBL_473723 (CHEMBL936819)	Inhibition of human JNK2
50002242	1	ChEBML_52375	Binding constant was determined as affinity to displace [3H]LTD4 from Cysteinyl leukotriene D4 receptor on guinea pig lung membrane
50002069	17	ChEBML_38483	Displacement of [3H]DHA (Dihydroalprenolol) from beta-2 adrenergic receptor in rat brain
50002069	16	ChEBML_58164	Displacement of [3H]cis-flupenthixol from Dopamine receptor D1 in rat brain
50035580	2	ChEMBL_32815 (CHEMBL646467)	Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate
50035580	5	ChEBML_32815	Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate
50035580	3	ChEMBL_64518 (CHEMBL677322)	50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.
50035583	1	ChEBML_61442	In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane
50035585	1	ChEBML_36882	In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum
50003342	1	ChEMBL_27377 (CHEMBL642410)	Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)
50003342	5	ChEMBL_27376 (CHEMBL642409)	Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)
50003342	4	ChEBML_27376	Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(competitive)
50042190	1	ChEBML_37826	Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
50035587	1	ChEBML_164138	Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in human Daudi lymphoblastoid cells
50035587	2	ChEMBL_164152 (CHEMBL770786)	Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in rabbit reticulocytes
50002072	1	ChEBML_58532	Ability to inhibit [3H]spiperone binding to Dopamine receptor D2 in rat corpus striatum
50002410	4	ChEMBL_30522 (CHEMBL643170)	Binding affinity for Alanine racemase from Pseudomonas aeruginosa
50002410	2	ChEBML_30522	Binding affinity for Alanine racemase from Pseudomonas aeruginosa
50003187	3	ChEBML_152507	Compound was tested for Inhibition of Papain
50003187	2	ChEBML_53204	Compound was tested for Inhibition of dipeptidyl Dipeptidyl aminopeptidase 1
50003187	4	ChEMBL_53204 (CHEMBL666583)	Compound was tested for Inhibition of dipeptidyl Dipeptidyl aminopeptidase 1
50035590	2	ChEBML_70653	Compound was tested for inhibitory constant of Gamma-amino-N-butyrate transaminase in pig brain at pH of 6.5
50002334	4	ChEBML_147162	Displacement of [3H]EK from Opioid receptor delta 1 in guinea pig brain membrane
50002334	1	ChEBML_145293	Displacement of [3H]naloxone from Opioid receptor mu 1 in guinea pig brain membrane
50002334	2	ChEBML_146657	Displacement of [3H]DADLE from Opioid receptor kappa 1 in guinea pig brain membrane
50002334	5	ChEMBL_77750 (CHEMBL690226)	Compound was tested for binding affinity against delta opioid receptor in guinea pig brain membrane using [3H]EK as the radioligand
50002337	1	ChEBML_151701	Inhibition of PAF receptor binding to rabbit platelet plasma membranes
50035595	1	ChEBML_36890	Inhibition of guinea pig angiotensin I converting enzyme
50035599	1	ChEBML_162176	Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate
50035600	1	ChEBML_195753	Inhibition of human plasma renin
50035600	7	ChEMBL_44970 (CHEMBL660131)	Compound was tested for inhibition of bovine cathepsin D
50035600	3	ChEMBL_195754 (CHEMBL801605)	Compound was tested for inhibition of human plasma renin.
50035600	6	ChEBML_35059	Compound was tested for inhibition of Angiotensin I converting enzyme from rabbit lung.
50035601	3	ChEBML_153977	Inhibition of porcine pepsin
50035601	1	ChEBML_195744	Inhibition of human plasma renin
50003036	4	ChEMBL_27977 (CHEMBL645725)	Compound was tested for the concentration required for reversible inhibition of eel acetylcholinesterase
50003036	6	ChEBML_27977	Compound was tested for the concentration required for reversible inhibition of eel acetylcholinesterase
50003036	5	ChEMBL_28156 (CHEMBL644111)	Reactivation of human acetylcholinesterase
50003036	8	ChEMBL_28140 (CHEMBL644924)	Compound was tested for the concentration required for reversible inhibition of eel acetylcholinesterase
50003036	10	ChEMBL_27976 (CHEMBL645724)	In vitro reversible inhibition of eel acetylcholinesterase.
50035604	2	ChEBML_36310	In vitro antagonist activity against rat prostatic androgen receptor (AR)
50035604	4	ChEMBL_204598 (CHEMBL813360)	In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase
50035605	4	ChEMBL_148678 (CHEMBL751052)	Compound was evaluated for the inhibition of binding of [3H]naloxone toOpioid receptor mu 1 of rat brain membranes
50035605	2	ChEBML_148678	Compound was evaluated for the inhibition of binding of [3H]naloxone toOpioid receptor mu 1 of rat brain membranes
50035605	1	ChEBML_146760	Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membranes
50003061	1	ChEMBL_59102 (CHEMBL667895)	Inhibition of Dopamine beta hydroxylase.
50003061	4	ChEMBL_59268 (CHEMBL668983)	Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5
50035607	1	ChEBML_45141	Inhibition of cathepsin D.
50035607	4	ChEMBL_45141 (CHEMBL657160)	Inhibition of cathepsin D.
50003199	1	ChEBML_80649	Inhibition of solubilized, partially purified rat liver HMG-CoA reductase
50003200	1	ChEBML_80650	Inhibition of solubilized partially purified rat liver HMG-CoA reductase
50003200	2	ChEMBL_80650 (CHEMBL691936)	Inhibition of solubilized partially purified rat liver HMG-CoA reductase
50003201	2	ChEBML_58707	Compound was for its ability to displace [3H]haloperidol binding to rat striatal Dopamine receptor D2
50035610	2	ChEMBL_35995 (CHEMBL644704)	Inhibitory concentration (isomer B) against Angiotensin I converting enzyme
50035610	1	ChEMBL_35994 (CHEMBL644703)	Inhibitory concentration (isomer A) against Angiotensin I converting enzyme
50035611	6	ChEBML_105119	Inhibitory constant against rat kidney Methionine adenosyltransferase II
50035612	1	ChEBML_29298	Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand
50035613	4	ChEMBL_58478 (CHEMBL670409)	Compound was tested for its effect on dopamine saturation analysis
50002999	2	ChEBML_209801	In vitro inhibition of L1210 thymidylate synthase
50002999	1	ChEMBL_209801 (CHEMBL815667)	In vitro inhibition of L1210 thymidylate synthase
50002999	4	ChEMBL_209802 (CHEMBL815668)	In vitro inhibition of L1210 thymidylate synthase with CB3717 as control
50003000	1	ChEBML_209136	Compound was tested for inhibition of Thymidylate Synthase in Lactobacillus casei,
50003001	3	ChEMBL_50690 (CHEMBL663077)	Inhibition of Cytochrome P450 19A1 against Androstenedione at 0.25 uM (Km=55 nM)
50003001	2	ChEMBL_50691 (CHEMBL663078)	Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)
50003001	4	ChEMBL_51017 (CHEMBL664409)	Inhibition of Cytochrome P450 19A1 against testosterone at 1.5 uM (Km=0.13 uM)
50006137	11	ChEMBL_2263846	Inhibition of human cathepsin B
50006562	1	ChEMBL_2263847	Inhibition of human BCL6 BTP domain by ELISA assay
50035616	4	ChEBML_145704	Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND
50035616	2	ChEMBL_146781 (CHEMBL754443)	Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND
50035616	5	ChEBML_146780	Affinity against the Opioid receptor delta 1
50035616	10	ChEMBL_149461 (CHEMBL758212)	Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)
50035616	7	ChEMBL_139015 (CHEMBL744611)	Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND
50035616	6	ChEMBL_148711 (CHEMBL755829)	Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)
50035616	19	ChEMBL_146299 (CHEMBL758847)	Compound was evaluated for opioid receptor affinity against the receptor site model site 5
50035616	13	ChEMBL_148712 (CHEMBL755830)	Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND
50035616	3	ChEMBL_145702 (CHEMBL753910)	Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)
50002085	1	ChEBML_62241	Binding affinity against Dopamine receptor D2 at 10e-3 M concentration using [3H]spiperone in rat striatal tissue
50044005	1	ChEBML_37819	Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA
50035617	2	ChEBML_54441	Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells
50002940	2	ChEBML_70673	Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate transaminase from pig brain
50002308	1	ChEMBL_34784 (CHEMBL643761)	Inhibition of the activity of rabbit lung Angiotensin I converting enzyme
50002867	2	ChEMBL_80654 (CHEMBL880029)	Inhibition of solubilized, purified rat liver HMG-CoA reductase.
50002948	2	ChEMBL_138779 (CHEMBL747407)	Inhibition of binding of radioactive N-propylbenzilycholine mustard ([3H]-PrBCM) to rat brain membranes
50002088	3	ChEBML_63037	Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum
50002948	3	ChEMBL_138372 (CHEMBL749058)	In vitro antagonistic activity against peripheral Muscarinic acetylcholine receptor in guinea pig ileum as inhibition of acetylcholine induced muscle contraction
50002089	8	ChEMBL_1797 (CHEMBL616770)	Binding affinity towards 5-hydroxytryptamine 1B receptor in rat was determined using 50 uL of [125I]ICYP in binding assay
50002089	4	ChEBML_1797	Binding affinity towards 5-hydroxytryptamine 1B receptor in rat was determined using 50 uL of [125I]ICYP in binding assay
50002089	9	ChEMBL_1319 (CHEMBL616696)	Binding affinity against 5-hydroxytryptamine 1A receptor of rat was determined using [3H]8-OH-DPAT in binding assay
50002089	5	ChEBML_62243	Binding affinity against Dopamine receptor D2 of rat was determined using 2 nM of [3H]sulpiride in binding assay
50002089	6	ChEMBL_2348 (CHEMBL617422)	Binding affinity towards serotonin 5-hydroxytryptamine 2 receptor of rat determined using 0.5 nM of [3H]ketanserin in binding assay
50002093	3	ChEMBL_146649 (CHEMBL754933)	Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane
50035620	2	ChEMBL_104959 (CHEMBL715641)	Inhibition constant was evaluated on novikoff hepatoma (MAT-T) form of rat methionine adenosyltransferase, when methionine was the variable substrate (2 mM)
50002093	1	ChEBML_146649	Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane
50035620	1	ChEBML_105118	Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable substrate (60 uM)
50002951	3	ChEBML_54594	Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells
50002951	2	ChEBML_53612	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver
50002951	4	ChEMBL_54892 (CHEMBL666945)	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469
50002951	1	ChEBML_54892	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469
50006562	2	ChEMBL_2263848	Binding affinity to human BCL6 BTP domain assessed as dissociation constant by SPR assay
50006562	3	ChEMBL_2263851	Inhibition of human BCL6 BTP domain measured by TR-FRET assay
50006562	4	ChEMBL_2263852	Inhibition of human BCL6 BTP domain measured by cell reporter assay
50006562	5	ChEMBL_2263853	Inhibition of CK2 (unknown origin)
50006562	6	ChEMBL_2263855	Binding affinity to human BCL6 BTP domain assessed as dissociation constant by biolayer interferometry assay
50006562	7	ChEMBL_2263861	Reversible inhibition of human BCL6 BTP domain measured by TR-FRET assay
50006562	8	ChEMBL_2263862	Irreversible inhibition of human BCL6 BTP domain measured by TR-FRET assay
50006562	9	ChEMBL_2263863	Inhibition of human BCL6 BTP domain measured by fluorescence polarization assay
50006562	10	ChEMBL_2263866	Inhibition of human BCL6 BTP domain
50006976	1	ChEMBL_2263927	Displacement of f [125I]ABA to human A3 adenosine receptor derived from CHO cell membrane assessed as inhibition constant
50006976	2	ChEMBL_2263930	Displacement of [1251]AB-MEC from human A3 receptor assessed as inhibition constant
50006976	3	ChEMBL_2263931	Displacement of [125I]IABOPX to human A2B receptor assessed as inhibition constant by fluorescence based assay
50035622	1	ChEBML_54595	Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)
50002440	3	ChEMBL_28938 (CHEMBL638498)	Inhibition of smooth muscle cell ACAT activity for cells stimulated by native LDL.
50002440	4	ChEMBL_99056 (CHEMBL708973)	Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Aorta (homogenate Low-density lipoproteins (LDL)
50002440	5	ChEMBL_123731 (CHEMBL728375)	Inhibition of smooth muscle cell ACAT activity for cells stimulated by cationized LDL.
50002440	6	ChEMBL_89212 (CHEMBL699704)	Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in intestinal microsomes
50002440	2	ChEBML_89212	Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in intestinal microsomes
50035626	15	ChEMBL_157425 (CHEMBL768880)	Inhibition of Cynomolgus monkey plasma renin activity
50035626	8	ChEMBL_154905 (CHEMBL764681)	Inhibition of rat plasma renin activity
50035626	22	ChEMBL_222763 (CHEMBL847095)	In vitro inhibitory activity against monkey plasma renin
50035626	6	ChEMBL_157428 (CHEMBL768882)	Inhibition of dog plasma renin activity
50035626	3	ChEMBL_157427 (CHEMBL878083)	In vitro inhibitory activity against dog plasma renin
50035626	11	ChEMBL_154899 (CHEMBL873641)	Inhibition of man plasma renin activity
50035626	1	ChEMBL_154896 (CHEMBL764015)	In vitro inhibitory activity against human plasma renin
50035626	18	ChEMBL_222766 (CHEMBL872821)	In vitro inhibitory activity against man (human) plasma renin
50035626	9	ChEMBL_154898 (CHEMBL764017)	In vitro inhibitory activity against man (human) plasma renin
50035626	10	ChEMBL_157424 (CHEMBL873635)	In vitro inhibitory activity against monkey plasma renin
50035626	13	ChEMBL_154893 (CHEMBL764012)	In vitro inhibitory activity against hog plasma renin
50035626	16	ChEMBL_154894 (CHEMBL764013)	Inhibition of hog man plasma renin activity
50035626	4	ChEMBL_222764 (CHEMBL847096)	In vitro inhibitory activity against dog plasma renin
50035626	17	ChEMBL_222768 (CHEMBL847099)	In vitro inhibitory activity against rat plasma renin
50035626	19	ChEMBL_154895 (CHEMBL764014)	Compound was tested for human plasma renin.
50035626	12	ChEMBL_154902 (CHEMBL764679)	Inhibition of monkey plasma renin activity
50035629	2	ChEBML_147160	Binding affinity against Opioid receptor delta 1 of guinea pig brain membranes using 1 nM of [3H]DADLE as radioligand
50035629	3	ChEBML_146656	Binding affinity against Opioid receptor kappa 1 of guinea pig brain membranes using 1 nM of (-)-[3H]ethylketazocine as radioligand
50035629	1	ChEBML_145291	Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand
50035630	2	ChEMBL_210302 (CHEMBL808547)	In vitro inhibitory activity against Thymidylate synthetase was evaluated
50035630	1	ChEBML_210302	In vitro inhibitory activity against Thymidylate synthetase was evaluated
50035631	1	ChEBML_209111	Inhibitory activity against thymidylate synthase derived from Lactobacillus casei
50035631	5	ChEMBL_211159 (CHEMBL817525)	Inhibitory activity against thymidylate synthase in the intact L1210 cells
50035631	3	ChEBML_209956	Inhibitory activity against thymidylate synthase in the intact L1210 cells
50035633	1	ChEBML_58559	Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.
50002324	4	ChEMBL_202421 (CHEMBL805576)	Inhibition of [3H]BTX binding to guinea pig voltage-dependent sodium channel
50002325	1	ChEBML_29149	Binding affinity against A1 adenosine receptors of the central nervous system
50002982	1	ChEMBL_52220 (CHEMBL666689)	Compound was tested for inhibition of radioligand [3H]LTD4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50002982	2	ChEBML_52219	Compound was tested for inhibition of radioligand [3H]LTC4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50002987	14	ChEMBL_201199 (CHEMBL802163)	Compound was evaluated for binding activity against [3H]5-HT as radioligand for serotonin S1 receptor
50035634	3	ChEBML_28538	Potency against rat brain adenosine A1 receptor at 10 uM
50035636	1	ChEMBL_53887 (CHEMBL668914)	Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.
50035638	2	ChEBML_209113	Inhibitory activity against thymidylate synthase of Lactobacillus casei
50035638	1	ChEBML_209114	Inhibitory activity against thymidylate synthase of Streptococcus faecium
50035638	4	ChEBML_53306	Inhibitory activity against dihydrofolate reductase of Streptococcus faecium
50002430	1	ChEBML_209106	Compound was evaluated for the inhibition of thymidylate synthase (TS) derived from Lactobacillus casei
50035639	1	ChEBML_162174	Compound was evaluated for 50% inhibition of purine nucleoside phosphorylase activity by was measured by the conversion of [8-14C]-inosine to [8-14C]-hypoxanthine
50035640	10	ChEMBL_2371 (CHEMBL617444)	Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand
50035640	12	ChEMBL_796 (CHEMBL615400)	Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.
50035640	8	ChEMBL_2373 (CHEMBL617446)	Evaluated for the binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- KET as a radioligand.
50035640	6	ChEMBL_2374 (CHEMBL617447)	Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement.
50035641	3	ChEMBL_151702 (CHEMBL760451)	Inhibition concentration required to block 50% of the specific [3H]PAF binding, obtained from Chiralpak column at low temperatures.
50035641	1	ChEBML_151706	Inhibitor concentration required to block 50% of the specific [3H]PAF binding, obtained as natural product.
50035641	2	ChEMBL_151705 (CHEMBL760454)	Inhibitor concentration required to block 50% of the specific [3H]PAF binding to rabbit platelet membranes.
50035641	5	ChEMBL_151703 (CHEMBL760452)	Inhibitor concentration required to block 50 %of the specific [3H]PAF binding to rabbit platelet membranes.
50035641	4	ChEMBL_151706 (CHEMBL760455)	Inhibitor concentration required to block 50% of the specific [3H]PAF binding, obtained as natural product.
50006976	4	ChEMBL_2263932	Binding affinity to human A3 adenosine receptor assessed as inhibition constant
50006976	5	ChEMBL_2263933	Inhibition of human A1 adenosine receptor assessed as inhibition constant
50006976	6	ChEMBL_2263934	Inhibition of human A2a adenosine receptor assessed as inhibition constant
50002872	1	ChEBML_209134	Binding affinity towards Lactobacillus casei thymidylate synthase was determined
50035644	2	ChEBML_29144	Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6-cyclohexyladenosine displacement.
50002567	5	ChEMBL_195931 (CHEMBL803287)	Inhibition against human plasma renin
50002567	4	ChEMBL_195933 (CHEMBL801659)	Inhibition against purified human renal renin
50002567	7	ChEMBL_195934 (CHEMBL801660)	Inhibition against purified human renin
50035646	42	ChEMBL_2386 (CHEMBL617664)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 23 to 187
50035646	48	ChEMBL_2380 (CHEMBL617453)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]-Spiperone as the radioligand in rat cortical tissue.
50002570	2	ChEMBL_196264 (CHEMBL803241)	Inhibition of purified human kidney renin, fluorometric assay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration
50002570	3	ChEMBL_196266 (CHEMBL803243)	Inhibition of purified human kidney renin, radioimmunoassay using the natural substrate partially pure angiotensinogen at 10e-9 M concentration
50002570	1	ChEMBL_196265 (CHEMBL803242)	Inhibition of purified human kidney renin, radioimmunoassay using a synthetic tetradecapeptide renin substrate at 10e-9 M concentration
50002105	2	ChEBML_148130	In vitro inhibition against ornithine decarboxylase
50002105	1	ChEBML_53889	In vitro inhibition against hog kidney diamine oxidase
50002108	1	ChEBML_365	Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes
50035647	2	ChEMBL_59178 (CHEMBL672642)	Ability to displace [3H]spiperone binding from anterior pituitary Dopamine receptor D2 in the absence of GTP
50035647	3	ChEMBL_59310 (CHEMBL666963)	Ability to displace [3H]spiperone binding from anterior pituitary Dopamine receptor D2 in the presence of 100 uM GTP
50035647	1	ChEBML_59178	Ability to displace [3H]spiperone binding from anterior pituitary Dopamine receptor D2 in the absence of GTP
50035648	5	ChEMBL_145711 (CHEMBL753918)	Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%
50035649	9	ChEMBL_154398 (CHEMBL759160)	Inhibition of cAMP PDE III enzyme
50035649	4	ChEBML_154259	Inhibition of cGMP PDE II enzyme
50035649	6	ChEMBL_154257 (CHEMBL765555)	Inhibition of cGMP PDE II enzyme
50035649	3	ChEMBL_154259 (CHEMBL765557)	Inhibition of cGMP PDE II enzyme
50035649	7	ChEMBL_154243 (CHEMBL765381)	Inhibition of cAMP PDE I enzyme
50002572	1	ChEBML_195755	Inhibition of human renin
50002897	1	ChEBML_34801	Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate
50035650	2	ChEBML_147028	Binding affinity of Opioid receptor delta 1 by the displacement of delta-selective [3H]DSLET from brain membrane preparations.
50035650	1	ChEMBL_145157 (CHEMBL755961)	Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.
50035650	3	ChEMBL_145159 (CHEMBL755963)	Binding affinity of Opioid receptor mu 1 mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.
50035650	5	ChEBML_145157	Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.
50006976	7	ChEMBL_2263936	Inhibition of human A3 adenosine receptor assessed as inhibition constant
50006976	8	ChEMBL_2263937	Inhibition of human PDE4 assessed as inhibition constant
50006976	9	ChEMBL_2263938	Inhibition of human A1 adenosine receptor
50006976	10	ChEMBL_2263939	Inhibition of human A2a adenosine receptor
50006976	11	ChEMBL_2263940	Inhibition of human A2b adenosine receptor
50006976	12	ChEMBL_2263941	Inhibition of human A3 adenosine receptor
50006976	13	ChEMBL_2263942	Inhibition of human PDE4
50006976	14	ChEMBL_2263943	Binding affinity to human A1 adenosine receptor assessed as inhibition constant
50035651	4	ChEMBL_72156 (CHEMBL684451)	Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Ovine brain) activity using biosynthetic assay [competitive inhibition]
50035651	2	ChEMBL_72139 (CHEMBL685937)	Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Pea seed) activity using biosynthetic assay [noncompetitive inhibition]
50002908	1	ChEBML_4043	Ability to inhibit 5-lipoxygenase in guinea pig
50002137	1	ChEBML_211863	Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.
50035652	1	ChEBML_62078	Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat
50035653	1	ChEBML_195767	Evaluated in vitro for inhibitory potency against renin.
50035654	1	ChEBML_226561	In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand
50035654	2	ChEBML_61412	Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand
50035654	5	ChEMBL_226561 (CHEMBL847758)	In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radioligand
50035654	6	ChEMBL_61412 (CHEMBL673353)	Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand
50035654	3	ChEMBL_61108 (CHEMBL672299)	Compound was tested in vitro for binding affinity against Dopamine receptor D2 using [3H]-spiperone as radioligand
50035658	3	ChEMBL_210118 (CHEMBL814434)	Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats
50048737	1	ChEMBL_75880 (CHEMBL686746)	Inhibition constant against DNA Gyrase isolated from Escherichia coli
50048737	2	ChEMBL_75890 (CHEMBL686755)	Inhibition constant against DNA Gyrase isolated from Micrococcus luteus
50048738	1	ChEMBL_31440 (CHEMBL873058)	Compound was evaluated for the inhibition constant for inhibition of 8-lysine-vasopressin stimulated adenylate cyclase of pig kidney medullary membrane
50048738	2	ChEMBL_31441 (CHEMBL645313)	Compound was evaluated for the inhibition constant for inhibition of 8-lysine-vasopressin stimulated adenylate cyclase of pig kidney medullary membrane
50048739	1	ChEMBL_138765 (CHEMBL748832)	Compound was evaluated for the inhibition of binding of [3H]QNB (quinuclidinyl benzilate) to striatal Muscarinic acetylcholine receptor
50048740	1	ChEMBL_217192 (CHEMBL882441)	In vitro inhibition of cyclic AMP phosphodiesterase from human platelets.
50041149	2	ChEBML_226566	Binding affinity against sigma receptor
50048740	2	ChEMBL_217193 (CHEMBL872802)	Inhibition of human platelet cAMP phosphodiesterase at 10e-4 M
50048741	1	ChEMBL_217189 (CHEMBL821513)	In vivo inhibition of cyclic AMP phosphodiesterase from human platelets
50035658	1	ChEBML_210118	Tested for inhibition of thromboxane synthetase from spontaneously hypertensive rats
50002364	1	ChEMBL_209133 (CHEMBL814651)	Ability to inhibit the thymidylate synthase from Lactobacillus casei was determined and expressed as inhibition constant(Ki)
50002364	3	ChEMBL_209297 (CHEMBL811753)	Ability to inhibit the thymidylate synthase from Lactobacillus casei was determined and expressed as inhibition constant (Ki)
50002364	2	ChEBML_209133	Ability to inhibit the thymidylate synthase from Lactobacillus casei was determined and expressed as inhibition constant(Ki)
50035662	1	ChEMBL_195751 (CHEMBL801602)	In vitro inhibition against human plasma renin.
50035663	3	ChEMBL_3913 (CHEMBL619917)	Compound was tested for its inhibition activity against 5-LO of the whole cell in vitro in rat.
50035663	2	ChEMBL_3914 (CHEMBL619918)	Compound was tested for its inhibition activity against the 5-LO in isolated enzyme
50030158	3	ChEMBL_64652 (CHEMBL674804)	Rate of deacylation by human leukocyte elastase
50030158	1	ChEBML_63835	Binding affinity against human leukocyte elastase was determined
50002147	1	ChEMBL_28163 (CHEMBL644118)	Reversible inhibition of acetylcholinesterase (AChE) by 50 % in human erythrocytes 
50002147	2	ChEBML_28162	Concentration of compound that reversibly inhibits acetylcholinesterase (AChE) by 50 %
50002148	1	ChEBML_54096	Compound was tested for its inhibitory activity against dihydrofolate reductase (DHFR), isolated from MTX-resistant WI-L2 cells
50002150	2	ChEBML_48433	In vitro inhibition of binding of [125I](Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit
50002150	3	ChEMBL_48435 (CHEMBL660363)	In vitro inhibition of binding of [125I](Nle)-HG-13 labeled gCholecystokinin type B receptor on isolated gastric mucosal cells of rabbit
50002150	1	ChEMBL_48433 (CHEMBL660361)	In vitro inhibition of binding of [125I](Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit
50002152	13	ChEMBL_564 (CHEMBL615584)	In vitro inhibition of [3H]5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	12	ChEMBL_587 (CHEMBL615457)	In vitro inhibition of [3H]DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	2	ChEMBL_286 (CHEMBL615724)	In vitro inhibition of [3H]5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50002152	5	ChEMBL_565 (CHEMBL833691)	In vitro inhibition of [3H]5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50002152	1	ChEMBL_288 (CHEMBL615726)	In vitro inhibition of [3H]DPAT (1 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50002152	7	ChEMBL_566 (CHEMBL615585)	In vitro inhibition of azido-[125I]-IPAPP (0.25 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	3	ChEMBL_287 (CHEMBL615725)	In vitro inhibition of [3H]DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	14	ChEMBL_583 (CHEMBL615453)	In vitro inhibition of [3H]5-HT (2 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	9	ChEMBL_585 (CHEMBL615455)	In vitro inhibition of [3H]DPAT (1 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	10	ChEMBL_568 (CHEMBL884524)	In vitro inhibition of [125I]IPAPP (2.5 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50002152	8	ChEMBL_567 (CHEMBL615586)	In vitro inhibition of [125I]IPAPP (0.25 nM) binding to 5-HT1A receptor from bovine hippocampus
50002152	6	ChEMBL_584 (CHEMBL615454)	In vitro inhibition of [3H]5-HT (2 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50002152	11	ChEMBL_586 (CHEMBL615456)	In vitro inhibition of [3H]DPAT (1 nM) binding to 5-hydroxytryptamine 1A receptor from bovine hippocampus
50035664	2	ChEMBL_45069 (CHEMBL659852)	In vitro binding to human erythrocyte Carbonic anhydrase II was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide
50035664	4	ChEMBL_45070 (CHEMBL659853)	In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide
50048743	1	ChEMBL_38750 (CHEMBL651857)	Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat lung reticulocytes pretreated with alkylating beta-blockers
50048743	2	ChEMBL_38751 (CHEMBL651858)	Binding affinity against the [3H]dihydroalprenolol binding to membrane preparation from rat lung reticulocyte pretreated with alkylating beta-blockers
50048743	3	ChEMBL_38764 (CHEMBL653138)	Binding affinity against beta adrenergic receptor from rat heart tissues was determined
50048743	4	ChEMBL_38746 (CHEMBL651854)	Binding affinity against the [3H]dihydroalprenolol binding sites on beta adrenergic receptor of rat heart reticulocytes pretreated with alkylating beta-blockers
50048743	5	ChEMBL_38765 (CHEMBL653139)	Binding affinity against beta adrenergic receptor from rat lung tissues was determined
50048743	6	ChEMBL_38748 (CHEMBL651856)	Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat heart reticulocytes pretreated with alkylating beta-blockers
50048743	7	ChEMBL_38749 (CHEMBL857611)	Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat lung reticulocytes pretreated with alkylating beta-blockers
50006976	15	ChEMBL_2263955	Antagonist activity at human A1 adenosine receptor
50006976	16	ChEMBL_2263956	Displacement of [3H]CHA from adenosine A1 receptor derived from bovine brain membrane assessed as inhibition constant incubated for 2 hrs by liquid scintillation counter
50006976	17	ChEMBL_2263957	Binding affinity to human adenosine A1 receptor assessed as dissociation constant
50006976	18	ChEMBL_2263958	Displacement of [3H]DPCPX to human A2B adenosine receptor derived from HEK cells assessed as inhibition constant
50006976	19	ChEMBL_2263959	Displacement of [3H]CHA from adenosine A1 receptor derived from rat brain membrane assessed as inhibition constant
50006976	20	ChEMBL_2263961	Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from in guinea pig brain membrane assessed as inhibition constant
50002183	1	ChEBML_31442	Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane
50002185	1	ChEBML_211260	Compound was tested for inhibition against V2 vasopressin receptor in pig renal medullary membrane preparations.
50002190	3	ChEBML_59312	Displacement of [3H]spiroperidol from homogenized bovine pituitary Dopamine receptor D2
50002190	5	ChEMBL_58154 (CHEMBL672898)	Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes. Partial agonist, maximum effect 60% of dopamine maximum effect.
50002190	4	ChEMBL_60523 (CHEMBL674934)	Dopamine D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes
50002190	1	ChEMBL_60526 (CHEMBL674937)	Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes. Partial agonist, maximum effect 59% of dopamine maximum effect
50002190	2	ChEBML_58154	Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranes. Partial agonist, maximum effect 60% of dopamine maximum effect.
50006976	21	ChEMBL_2263963	Displacement of [3H]cyclohexyladen from A1 adenosine receptor derived from rat cerebral cortical membrane assessed as inhibition constant
50006976	22	ChEMBL_2263965	Binding affinity to A2 adenosine receptor derived from rat striatum assessed as inhibition constant
50035665	1	ChEMBL_209474 (CHEMBL809254)	Ability to inhibit thymidylate synthase derived from human leukemia K562 cells
50035665	3	ChEMBL_209775 (CHEMBL815565)	Inhibitory constant of thymidylate synthase was determined in human AML cells
50035665	2	ChEMBL_209645 (CHEMBL811586)	Binding affinity against human enzyme thymidylate synthase derived from either HeLa or KB cells
50035665	5	ChEBML_208960	Ability to inhibit thymidylate synthase derived from Lactobacillus casei
50048744	1	ChEMBL_38284 (CHEMBL647667)	Concentration effective against displacing [3H]dihydroalprenolol from beta adrenergic receptor from canine ventricular tissue
50002196	1	ChEBML_214869	Inhibition of LVP-sensitive adenylate cyclase in a pig renal medullary preparation
50002197	6	ChEBML_1802	Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor
50035666	1	ChEBML_53174	Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles
50002197	4	ChEBML_1318	Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal tissue
50002794	1	ChEBML_71525	In vitro inhibitory activity for binding of [125I](Nle11)-HG-13 to gastrin receptor on isolated rabbit gastric mucosal cells.
50035673	1	ChEMBL_207845 (CHEMBL810054)	Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1
50002197	3	ChEMBL_1318 (CHEMBL616695)	Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal tissue
50035673	4	ChEMBL_207825 (CHEMBL812344)	Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2
50002197	8	ChEMBL_1788 (CHEMBL616762)	Binding affinity against 5-HT1B serotonin receptor in rat striatum
50035673	5	ChEMBL_207848 (CHEMBL810057)	Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2
50041151	2	ChEMBL_70866 (CHEMBL680364)	Inhibition of LTD4-induced contraction in guinea pig ileum
50035677	2	ChEBML_28964	Displacement of [125I]ABA from adenosine A1 receptor of chick cerebellar membrane
50006976	23	ChEMBL_2263969	Inhibition of human notum using OTPS as substrate incubated for 16 hrs by fluorescent based assay
50006976	24	ChEMBL_2263970	Inhibition of human notum transfected with HEK293 cell incubated for 16 hrs by luciferase assay
50006976	25	ChEMBL_2263971	Binding affinity to human notum assessed as dissociation constant by thermal shift assay
50015357	1	ChEMBL_2264047	Inhibition of human recombinant FPP synthase expressed in Escherichia coli S100 using FPP and IPP as substrates preincubated for 15 mins followed by substrate addition measured after 60 mins by scintillation counting analysis
50015357	2	ChEMBL_2264048	Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound by scintillation counting analysis
50015357	3	ChEMBL_2264049	Inhibition of recombinant human N- terminal His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) by scintillation proximity assay
50015357	4	ChEMBL_2264050	Inhibition of human FPPS by LC-MS assay
50015357	5	ChEMBL_2264051	Inhibition of human recombinant FPP synthase
50015357	6	ChEMBL_2264052	Inhibition of recombinant human GST-tagged GGPP synthase expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound followed by incubation for 60 mins by liquid scintillation counting analysis
50015357	7	ChEMBL_2264053	Inhibition of GGPP synthase (unknown origin)
50015357	8	ChEMBL_2264054	Inhibition of human recombinant GGPP synthase using FPP and IPP as substrates preincubated for 15 mins followed by substrate addition measured after 20 mins by scintillation counting analysis
50002816	9	ChEMBL_154387 (CHEMBL759149)	Inhibition of cAMP-phosphodiesterase PDE 2 from guinea pig, range 37-49
50002816	10	ChEMBL_154253 (CHEMBL765551)	Inhibition of cGMP phosphodiesterase PDE 1 from guinea pig, range 15-33
50035679	1	ChEBML_30780	Ability to inhibit adenosine deaminase
50035680	1	ChEBML_216035	Inhibitory activity against beta-lactamase renal dipeptidase
50035680	2	ChEMBL_216035 (CHEMBL819742)	Inhibitory activity against beta-lactamase renal dipeptidase
50002385	2	ChEBML_52214	Binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membranes using [3H]LTD4 as the radioligand.
50002385	3	ChEMBL_52378 (CHEMBL872481)	Binding affinity against Cysteinyl leukotriene D4 receptor in human lung membranes using [3H]LTD4 as the radioligand.
50035681	1	ChEBML_35219	Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.
50035681	2	ChEMBL_35219 (CHEMBL648942)	Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.
50002204	1	ChEBML_61431	Evaluated for the affinity against Dopamine receptor D2 in rat striatal membranes
50035684	1	ChEBML_195948	Inhibition of human renin
50035685	3	ChEBML_49420	Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor
50035685	2	ChEBML_75464	Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands
50002208	1	ChEBML_210096	Inhibition of thromboxane A2 synthetase from human platelets by 1 uM of the compound
50002837	2	ChEBML_70043	Inhibition of GAR transformylase isolated from the murine lymphoma cell line L5178Y
50002837	1	ChEMBL_70043 (CHEMBL681443)	Inhibition of GAR transformylase isolated from the murine lymphoma cell line L5178Y
50002838	1	ChEBML_209107	Evaluated for the inhibition of thymidylate synthase in Lactobacillus casei
50002838	2	ChEBML_54896	Evaluated for the inhibition of dihydrofolate reductase in Lactobacillus casei
50002838	4	ChEMBL_209806 (CHEMBL815672)	Evaluated for the inhibition of thymidylate synthase in permeabilised L1210 cells
50002558	3	ChEMBL_154903 (CHEMBL764680)	Inhibitory potency on plasma renin obtained from New Zealand white rabbits
50002558	2	ChEBML_154903	Inhibitory potency on plasma renin obtained from New Zealand white rabbits
50002558	4	ChEMBL_157429 (CHEMBL768883)	Inhibitory potency on plasma renin obtained from mongrel dogs
50002558	5	ChEMBL_154900 (CHEMBL764678)	Inhibitory potency on plasma renin obtained from hypertensive humans
50002558	7	ChEMBL_195966 (CHEMBL873004)	Inhibitory activity against human plasma renin
50002558	6	ChEMBL_157426 (CHEMBL768881)	Inhibitory potency on plasma renin obtained from cats
50035690	2	ChEBML_193333	Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes
50035690	16	ChEMBL_216141 (CHEMBL816959)	Binding affinity towards alpha-2 adrenergic receptor at 1.0 uM concentration
50035690	13	ChEMBL_216006 (CHEMBL820508)	Binding affinity towards alpha-1 adrenergic receptor
50035690	1	ChEBML_193336	Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes
50035690	15	ChEMBL_216140 (CHEMBL816958)	Binding affinity towards alpha-2 adrenergic receptor
50035690	20	ChEMBL_139464 (CHEMBL752172)	Binding affinity towards Muscarinic acetylcholine receptor in rat was determined
50035690	22	ChEMBL_193333 (CHEMBL802527)	Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes
50035690	3	ChEBML_193337	Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes
50035690	17	ChEMBL_201198 (CHEMBL802162)	Binding affinity towards serotonin S1 receptor at 1.0 uM concentration
50035691	1	ChEBML_54447	Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells
50002397	2	ChEMBL_40226 (CHEMBL653999)	Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate
50002397	4	ChEBML_40701	Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate
50002397	5	ChEBML_41049	Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate
50002397	3	ChEBML_40702	Inhibitory activity against Beta-lactamase type TEM2 (penicillinase) from Escherichia coli TEM2 using penicillin G (40 uM) as a substrate
50035694	3	ChEBML_145924	Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brain
50035694	2	ChEBML_146880	Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brain
50035694	1	ChEBML_222077	Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brain
50002855	10	ChEMBL_50720 (CHEMBL666799)	Inhibitory activity against human placental cytochrome P450 19A1
50002855	6	ChEMBL_50541 (CHEMBL660320)	Inhibition of human placental cytochrome P450 19A1 with androstenedione
50002855	3	ChEMBL_51035 (CHEMBL662248)	Inhibition of human placental cytochrome P450 19A1 with androstenedione
50002855	8	ChEMBL_50721 (CHEMBL666800)	Inhibition of human placental cytochrome P450 19A1 with androstenedione
50002855	5	ChEMBL_51036 (CHEMBL662249)	Inhibition of human placental cytochrome P450 19A1 with testosterone
50002855	9	ChEBML_50720	Inhibitory activity against human placental cytochrome P450 19A1
50002855	2	ChEMBL_50539 (CHEMBL661156)	Inhibition of human placental cytochrome P450 19A1 with androstenedione
50002563	3	ChEMBL_212940 (CHEMBL816594)	Tested for inhibitory activity against intact human platelet TXA2 formation
50002563	2	ChEBML_212940	Tested for inhibitory activity against intact human platelet TXA2 formation
50002564	2	ChEBML_196099	The compound was tested for inhibition of human renal renin at the pH optimum 7.4
50035698	10	ChEMBL_54411 (CHEMBL667169)	Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8.5
50035698	6	ChEMBL_54407 (CHEMBL667165)	Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 6
50035698	7	ChEMBL_54548 (CHEMBL664864)	Inhibition constant for Tyr31-dihydrofolate reductase (DHFR)-NADPH-Compound complex
50035698	8	ChEMBL_54402 (CHEMBL667978)	Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 6
50035698	5	ChEMBL_54565 (CHEMBL664879)	Association constant (Kon) at Phe-31 of dihydrofolate reductase (DHFR)
50035698	23	ChEMBL_54563 (CHEMBL664877)	Dissociation constant at(Koff) Tyr-31 of dihydrofolate reductase (DHFR)
50035698	24	ChEMBL_54412 (CHEMBL667170)	Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 9.5
50035698	16	ChEMBL_54400 (CHEMBL667357)	Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8.5
50044075	5	ChEMBL_1337234 (CHEMBL3240642)	Antagonist activity at human OX2 receptor assessed as Ca2+ flux by FLIPR assay
50035698	1	ChEMBL_54409 (CHEMBL667167)	Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7
50035698	25	ChEMBL_54398 (CHEMBL667355)	Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 7
50035698	19	ChEMBL_54403 (CHEMBL667979)	Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 7
50035698	21	ChEMBL_54564 (CHEMBL664878)	Dissociation constant(Koff) at Phe-31 of dihydrofolate reductase (DHFR)
50035698	3	ChEMBL_54567 (CHEMBL664881)	Association constant(Kon) at Tyr-31 of dihydrofolate reductase (DHFR)
50002224	4	ChEBML_142956	Inhibition of Norepinephrine uptake from rat diencephalon-midbrain
50035698	11	ChEMBL_54404 (CHEMBL667980)	Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8
50035698	12	ChEMBL_54399 (CHEMBL667356)	Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8
50035698	26	ChEMBL_54547 (CHEMBL664863)	Inhibition constant for Phe31-dihydrofolate reductase (DHFR)-NADPH-Compound complex
50035698	13	ChEMBL_54406 (CHEMBL667164)	Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 9.5
50035698	14	ChEMBL_54397 (CHEMBL857612)	Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6
50035698	15	ChEMBL_54544 (CHEMBL872482)	Binding constant(Ki) to dihydrofolate reductase (DHFR) Phe -31 was determined
50035698	2	ChEMBL_54562 (CHEMBL664876)	Dissociation constant at Val-31(Kon)of dihydrofolate reductase (DHFR)
50035698	17	ChEMBL_54401 (CHEMBL667977)	Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 9.5
50035698	18	ChEMBL_54405 (CHEMBL667163)	Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 8.5
50035699	3	ChEBML_209112	Inhibitory activity against thymidylate synthase of Lactobacillus casei
50035699	5	ChEBML_208759	Inhibitory activity against thymidylate synthase of Escherichia coli
50035699	4	ChEBML_28410	Inhibitory activity against AICAR formyltransferase of Lactobacillus casei
50035700	1	ChEBML_196287	In vitro inhibitory activity towards porcine kidney renin
50015357	9	ChEMBL_2264072	Inhibition of Rac1 GTPase in human MDA-MB-435 cells
50015357	10	ChEMBL_2264073	Binding affinity to human ROCK1 assessed as inhibition constant
50015357	11	ChEMBL_2264074	Inhibition of human ROCK2
50015357	12	ChEMBL_2264075	Inhibition of human PKA
50015357	13	ChEMBL_2264076	Inhibition of human PKC
50015357	14	ChEMBL_2264078	Inhibition of human recombinant ROCK1 by ELISA
50015357	15	ChEMBL_2264079	Inhibition of human recombinant ROCK2 by ELISA
50015357	16	ChEMBL_2264080	Binding affinity to ROCK1 (unknown origin) assessed as inhibition constant
50015357	17	ChEMBL_2264081	Binding affinity to ROCK2 (unknown origin) assessed as inhibition constant
50015357	18	ChEMBL_2264082	Inhibition of ROCK2 (unknown origin) by Kinase-glo Luminescent Kinase Assay
50015357	19	ChEMBL_2264083	Inhibition of Rac1 GTPase in human MDA-MB-231 cells assessed as inhibition of cell proliferation treated for 72 hrs by MTT assay
50015357	20	ChEMBL_2264084	Inhibition of Rac1 GTPase in human breast cancer cell line treated for 24 hrs by western blot assay
50015357	21	ChEMBL_2264085	Inhibition of Cdc42 GTPase in human breast cancer cell line treated for 24 hrs by western blot assay
50015357	22	ChEMBL_2264086	Inhibition of Rac1 in human HPAF-II cell
50015357	23	ChEMBL_2264087	Inhibition of Rac1 in human HeLa cells by Flow cytometric G-trap effector binding assay
50015357	24	ChEMBL_2264088	Inhibition of Cdc42 in human HeLa cells by Flow cytometric G-trap effector binding assay
50015357	25	ChEMBL_2264089	Inhibition of Geranylgeranyl transferase type-2 in human NIH3T3 cells assessed as inhibition of Rab geranylgeranylation incubated for 48 hrs by immunoblotting assay
50015357	26	ChEMBL_2264090	Inhibition of rat Geranylgeranyl transferase type-2 assessed as inhibition of Rab geranylgeranylation by fluorometric Rab prenylation assay
50017857	1	ChEMBL_2264093	Partial agonist activity at human 5HT4E receptor expressed in CHO cells assessed as cAMP accumulation incubated for 4 hrs by luciferase reporter gene luminescence assay
50035701	7	ChEMBL_31630 (CHEMBL649691)	In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-4 - 10E-6
50035701	4	ChEMBL_31629 (CHEMBL648024)	Inhibition of partially purified calf lens aldose reductase; value ranges from 10E-4 to 10e-5 M
50035701	1	ChEMBL_31633 (CHEMBL649694)	In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7
50035701	3	ChEMBL_31632 (CHEMBL649693)	In vitro inhibition of partially purified calf lens aldose reductase; value ranges from 10E-5 to 10E-6
50035701	5	ChEMBL_31631 (CHEMBL649692)	In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-4- 10E-5
50035701	9	ChEMBL_31628 (CHEMBL648023)	In vitro inhibition of partially purified calf lens aldose reductase
50035702	1	ChEBML_29324	Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine
50002406	4	ChEMBL_192892 (CHEMBL795931)	Inhibition of renin
50002406	1	ChEMBL_157926 (CHEMBL765894)	Inhibition of porcine kidney renin
50002406	3	ChEMBL_195765 (CHEMBL878549)	Concentration required for 50% inhibition of human plasma renin
50002406	2	ChEBML_192892	Inhibition of renin
50002501	2	ChEMBL_3923 (CHEMBL619926)	In vitro inhibition of 5-lipoxygenase from RBL-1 cells
50002501	1	ChEBML_3923	In vitro inhibition of 5-lipoxygenase from RBL-1 cells
50002089	3	ChEBML_1319	Binding affinity against 5-hydroxytryptamine 1A receptor of rat was determined using [3H]8-OH-DPAT in binding assay
50035705	8	ChEMBL_86248 (CHEMBL698014)	Agonistic potency at alpha 2-Adrenergic receptor for inhibition of 10 uM forskolin-elicited stimulation of adenylate cyclase in human platelet membranes
50035705	12	ChEMBL_30105 (CHEMBL642032)	Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine
50035705	6	ChEMBL_33232 (CHEMBL873047)	Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101
50035705	9	ChEMBL_38732 (CHEMBL647416)	Agonistic potency at beta adrenergic receptor for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells
50035705	15	ChEMBL_33123 (CHEMBL646130)	Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pig cerebral cortex
50035705	4	ChEBML_39181	Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria
50035705	14	ChEMBL_30106 (CHEMBL642033)	Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine
50035705	1	ChEMBL_39181 (CHEMBL654478)	Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria
50035705	2	ChEBML_33232	Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101
50035705	7	ChEMBL_39182 (CHEMBL654479)	Beta-1 adrenergic receptor agonist activity by stimulation of contraction rate of isolated guinea pig atrial preparations
50035705	16	ChEMBL_39325 (CHEMBL653363)	Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol
50035706	1	ChEBML_153308	In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)
50035707	1	ChEBML_146073	Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand
50035707	4	ChEMBL_146073 (CHEMBL750279)	Binding affinity at Opioid receptor kappa 1 in guinea pig brain membrane determined by using [3H]U-69593 as radioligand
50035708	1	ChEMBL_61585 (CHEMBL675757)	Inhibition of 0.1 nM of [125I]- (S)-N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-iodo-2-methoxy-benzamide binding in striatal homogenates of rat brain
50035708	2	ChEBML_61586	Inhibition of [3H](S)-sulpiride binding in striatal homogenates of rat brain
50035708	3	ChEMBL_61586 (CHEMBL675758)	Inhibition of [3H](S)-sulpiride binding in striatal homogenates of rat brain
50002512	4	ChEBML_29612	In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]PIA
50035709	3	ChEBML_61117	Ability to partially antagonise [3H]-SCH- 23388 binding to the Dopamine receptor D2
50035710	6	ChEMBL_210334 (CHEMBL814753)	Competitive inhibition of the human thymidylate synthase at 600 uM as Ki(slope) of 5,10-CH2-H4PteGlu
50035710	7	ChEMBL_210331 (CHEMBL880215)	Inhibition of human thymidylate synthase at 40 uM concentration of 5,10-CH2-H4PteGlu5
50035710	4	ChEMBL_210333 (CHEMBL814752)	Competitive inhibition of the human thymidylate synthase at 28 uM as Ki(slope) of 5,10-CH2-H4PteGlu
50035710	5	ChEMBL_210336 (CHEMBL814754)	Competitive inhibition of the human thymidylate synthase at 600 uM of [dUMP]
50035710	3	ChEMBL_210335 (CHEMBL872714)	Competitive inhibition of the human thymidylate synthase at 28 uM of [dUMP]
50035710	1	ChEMBL_210332 (CHEMBL814751)	Inhibition of human thymidylate synthase at 600 uM concentration of 5,10-CH2-H4PteGlu
50002519	8	ChEMBL_70047 (CHEMBL681447)	Inhibition of GAR transformylase from mammalian Manca
50002519	10	ChEMBL_69924 (CHEMBL678804)	Inhibition of GAR transformylase from Lactobacillus casei
50002519	4	ChEMBL_70036 (CHEMBL681438)	Inhibition of GAR transformylase from mammalian L1210 cells
50002519	7	ChEBML_54599	Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells
50002519	5	ChEMBL_69925 (CHEMBL678805)	Inhibition of GAR transformylase from Lactobacillus casei
50002519	1	ChEBML_209295	Evaluated for inhibition of thymidylate synthase (TS) from Lactobacillus casei
50002519	9	ChEMBL_70035 (CHEMBL681437)	Inhibition of GAR transformylase from mammalian L1210 cells
50035712	2	ChEBML_35356	Inhibitory activity against Aminopeptidase M
50035712	1	ChEBML_98398	Inhibitory activity against Leucine aminopeptidase
50035712	4	ChEMBL_35356 (CHEMBL647938)	Inhibitory activity against Aminopeptidase M
50035712	5	ChEMBL_98398 (CHEMBL706596)	Inhibitory activity against Leucine aminopeptidase
50035714	1	ChEBML_42776	Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.
50035715	2	ChEBML_49558	Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue
50035715	4	ChEMBL_49559 (CHEMBL663475)	Half-maximal inhibition of [125I]CCK-8 binding to cholecystokinin receptor from rat pancreatic tissue
50002254	2	ChEMBL_29319 (CHEMBL642307)	Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]cyclohexyladenosine
50002254	3	ChEBML_29319	Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]cyclohexyladenosine
50035715	3	ChEBML_75463	Half-maximal inhibition of [125I]gastrin binding to guinea pig gastric glands
50035716	6	ChEBML_142629	In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes
50035716	7	ChEMBL_62960 (CHEMBL675679)	In vitro inhibition of [3H]dopamine uptake in rat brain synaptosomes
50035716	2	ChEBML_201649	In vitro inhibition of [3H]5-HT transporter uptake in rat brain synaptosomes
50035716	1	ChEBML_61596	Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes
50002478	5	ChEBML_195784	In vitro inhibitory activity against renin at 10e-6 (M)
50002479	3	ChEMBL_196100 (CHEMBL804784)	Inhibition of purified human renin (pH 6.0)
50002479	2	ChEBML_196100	Inhibition of purified human renin (pH 6.0)
50002479	1	ChEMBL_196093 (CHEMBL883523)	Inhibition of human plasma renin (pH 7.4)
50035717	1	ChEBML_27978	In vitro inhibitory activity against acetylcholinesterase from electric eel
50035720	4	ChEMBL_147112 (CHEMBL758275)	Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opioid receptors
50035720	8	ChEMBL_149307 (CHEMBL757304)	Ability to inhibit the binding of [3H]-DAGO to Opioid receptor mu 1 in rat brain membranes
50035720	6	ChEBML_147112	Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opioid receptors
50035720	3	ChEBML_146893	Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes
50035723	2	ChEBML_35060	Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate
50002615	1	ChEBML_158835	Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
50002621	9	ChEMBL_143081 (CHEMBL748731)	Inhibition of [3H]MCC binding to torpedo electroplax membranes
50002621	8	ChEMBL_143082 (CHEMBL748732)	inhibition of (-)-[3H]nicotine binding to torpedo electroplax membranes
50035725	1	ChEBML_146515	Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand
50002259	2	ChEMBL_68562 (CHEMBL679649)	Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranes
50035725	2	ChEBML_148991	Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand
50002468	4	ChEBML_153984	Inhibition of porcine pepsin at pH 2.0
50002468	1	ChEMBL_153847 (CHEMBL882425)	Inhibition of human pepsin at pH 3.1
50002468	11	ChEMBL_154006 (CHEMBL759127)	Inhibition of porcine pepsin at pH 4.0
50002468	6	ChEMBL_44976 (CHEMBL660137)	Inhibition of bovine cathepsin D at pH 3.2
50002468	8	ChEBML_196254	Inhibition of human renin at pH 7.4
50002468	7	ChEBML_153847	Inhibition of human pepsin at pH 3.1
50001920	6	ChEMBL_33091 (CHEMBL643583)	Affinity to alpha-1 adrenergic receptor by the displacement of [3H]-prazosin from calf cerebral cortex membranes
50002546	1	ChEBML_195771	Inhibition of Human plasma renin
50002547	1	ChEBML_71742	Inhibitory binding constant for Gonadotropin-releasing hormone receptor
50002469	4	ChEMBL_195965 (CHEMBL806859)	Inhibitory concentration was measured against plasma renin from human
50002469	5	ChEMBL_195964 (CHEMBL806858)	Inhibitory concentration against human renin
50002469	3	ChEBML_192896	Inhibitory concentration was measured against plasma renin from dog
50002469	2	ChEMBL_192896 (CHEMBL795935)	Inhibitory concentration was measured against plasma renin from dog
50002634	1	ChEMBL_50738 (CHEMBL660770)	KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]
50035726	9	ChEMBL_27927 (CHEMBL642335)	Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets
50035726	3	ChEMBL_28526 (CHEMBL640695)	Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding
50035726	6	ChEBML_28528	Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding 
50035726	8	ChEMBL_28529 (CHEMBL640697)	Binding affinity towards adenosine A1 receptor rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding
50035726	5	ChEMBL_28528 (CHEMBL881274)	Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding 
50035727	2	ChEBML_28549	Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor
50035731	5	ChEMBL_146378 (CHEMBL754735)	Binding affinity for the Opioid receptor kappa 1
50035731	6	ChEMBL_145156 (CHEMBL755960)	Binding affinity for the Opioid receptor mu 1
50002197	12	ChEMBL_2209 (CHEMBL617034)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]- 1-(4-bromo-2,5-dimethoxy-phenyl)-2-aminopropane (D) as radioligand
50002197	11	ChEMBL_2210 (CHEMBL617035)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]- ketanserin as radioligand
50002197	9	ChEMBL_2345 (CHEMBL617419)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]- ketanserin as radioligand in rat frontal cortex
50002268	4	ChEBML_68602	In vitro inhibition of [3H]GABA binding to Gamma-aminobutyric acid receptor of rat brain synaptic membranes
50002197	10	ChEMBL_2344 (CHEMBL617418)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]- 1-(4-bromo-2,5-dimethoxy-phenyl)-2-aminopropane (D) as radioligand in rat frontal cortex
50035731	1	ChEBML_145459	Binding affinity for the Opioid receptor mu 1
50035731	2	ChEBML_147220	Binding affinity for the Opioid receptor kappa 1
50035731	4	ChEMBL_147220 (CHEMBL755425)	Binding affinity for the Opioid receptor kappa 1
50002272	2	ChEBML_33040	Evaluated for its ability to displace [3H]clonidine from alpha-2 adrenergic receptor of calf cerebral cortex
50002272	1	ChEBML_33099	Evaluated for its ability to displace [3H]prazosin from alpha-1-Adrenoceptor of calf cerebral cortex
50035731	3	ChEMBL_145459 (CHEMBL751092)	Binding affinity for the Opioid receptor mu 1
50035733	1	ChEMBL_34791 (CHEMBL643768)	In vitro inhibition of Angiotensin I converting enzyme with relative to captopril(=1)
50035733	2	ChEBML_34791	In vitro inhibition of Angiotensin I converting enzyme with relative to captopril(=1)
50035734	3	ChEMBL_61936 (CHEMBL675124)	Affinity constant of compound was evaluated in rat striatum tissue preparation.
50035734	6	ChEMBL_63034 (CHEMBL678337)	Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane
50002661	2	ChEMBL_63963 (CHEMBL677432)	Binding affinity towards human leukocyte elastase at 10e-7 M
50002661	7	ChEMBL_63667 (CHEMBL675723)	Inhibitory activity against human leukocyte elastase at 10e-7 M
50002661	5	ChEMBL_63668 (CHEMBL675724)	Inhibitory activity against human leukocyte elastase at 10e-8 M
50041160	2	ChEMBL_51040 (CHEMBL662252)	Apparent inhibition constant (Ki) for cytochrome P450 19A1 with androstenedione
50041160	5	ChEMBL_51039 (CHEMBL857512)	Apparent inhibition constant (Ki) for cytochrome P450 19A1
50042194	13	ChEMBL_32626 (CHEMBL643028)	Binding affinity against alpha-2 adrenergic receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	11	ChEMBL_33125 (CHEMBL646132)	Binding affinity against alpha-1 adrenergic receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	9	ChEMBL_2175 (CHEMBL617249)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	14	ChEMBL_60809 (CHEMBL672519)	Binding affinity against Dopamine receptor D2 in rat brain membrane using [3H]-8-OH-DPAT as a selective ligand.
50042194	7	ChEMBL_2177 (CHEMBL617251)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex using [3H]ketanserin as radioligand
50042194	10	ChEMBL_2174 (CHEMBL617248)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex using [3H]ketanserin as radioligand
50042194	2	ChEMBL_1813 (CHEMBL857067)	Binding affinity against 5-HT1B receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	3	ChEBML_1500	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50035737	4	ChEMBL_850 (CHEMBL615906)	In vitro Inhibitory activity tested at 5-hydroxytryptamine 1A receptor binding site in rat
50035737	3	ChEBML_851	In vitro Inhibitory activity tested at 5-hydroxytryptamine 1A receptor binding site in rat
50035737	1	ChEMBL_1227 (CHEMBL616179)	Inhibitory activity tested in vitro at 5-hydroxytryptamine 1A receptor binding site in rat
50035739	1	ChEBML_34931	Inhibitory activity against rabbit lung angiotensin-1 converting enzyme
50035739	2	ChEMBL_34932 (CHEMBL647677)	Inhibitory constant against rabbit lung Angiotensin I converting enzyme
50035740	1	ChEBML_29311	Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes
50035740	4	ChEMBL_27785 (CHEMBL645921)	Displacement of [3H]NECA from A2-receptor of rat striatal membranes
50035740	2	ChEMBL_28543 (CHEMBL640322)	Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor
50035740	3	ChEMBL_27763 (CHEMBL643368)	Stimulation of adenylate cyclase activity in human platelet membrane at A2 receptor
50035740	5	ChEMBL_29311 (CHEMBL642299)	Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes
50021092	2	ChEMBL_449367 (CHEMBL899634)	Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay
50035741	1	ChEBML_28995	Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.
50035743	4	ChEMBL_222112 (CHEMBL843708)	Compound was tested for the inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 in rat brain membrane
50035743	6	ChEMBL_140044 (CHEMBL744024)	Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 in rat brain membrane
50035743	2	ChEMBL_140045 (CHEMBL745720)	Inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 of rat heart
50035743	5	ChEMBL_138778 (CHEMBL747406)	Inhibition of [3H]oxotremorine-M binding to rat brain membrane Muscarinic acetylcholine receptor
50035743	1	ChEBML_222112	Compound was tested for the inhibition of [3H]quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M2 in rat brain membrane
50035744	1	ChEBML_54443	Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells
50035745	1	ChEBML_54452	Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells
50035745	7	ChEMBL_68680 (CHEMBL682451)	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from rat
50035747	1	ChEBML_195941	Inhibitory activity against human plasma renin
50035752	1	ChEMBL_140174 (CHEMBL745478)	Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium
50035752	3	ChEBML_31582	Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart
50035752	8	ChEMBL_31582 (CHEMBL646376)	Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart
50035752	7	ChEMBL_184442 (CHEMBL790102)	Evaluated for the phosphatidyl inositol turnover at Muscarinic acetylcholine receptor M1 in rat cortex
50002701	5	ChEMBL_214850 (CHEMBL824692)	In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in human
50002701	2	ChEBML_214692	In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in dog
50002701	1	ChEBML_214849	In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in human
50035755	2	ChEMBL_61437 (CHEMBL671410)	In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding
50035755	1	ChEBML_61437	In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding
50035756	2	ChEMBL_122436 (CHEMBL729339)	In vitro inhibition of bovine monoamine oxidase B.
50035756	4	ChEMBL_122441 (CHEMBL729492)	Competitive inhibition of Rat liver Monoamine Oxidase B at 30 degree C (pH= 7.2)
50035756	3	ChEMBL_122442 (CHEMBL729493)	Competitive inhibition of Rat liver Monoamine Oxidase B at 37 degree C (pH= 7.4)
50035756	1	ChEBML_122436	In vitro inhibition of bovine monoamine oxidase B.
50035756	8	ChEMBL_122440 (CHEMBL729491)	Competitive inhibition of Rat liver Monoamine Oxidase B at 30 degree C (pH= 7.2)
50002533	6	ChEMBL_124561 (CHEMBL734355)	Inhibition of human liver monoamine oxidase was determined
50002533	1	ChEMBL_124554 (CHEMBL734348)	Inactivation of monoamine oxidase measured as kinetic constant, KI at 1-10 conc range
50002533	5	ChEBML_124561	Inhibition of human liver monoamine oxidase was determined
50041161	1	ChEMBL_154852 (CHEMBL769685)	Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047
50041161	3	ChEMBL_154851 (CHEMBL857518)	Binding affinity of compound against Phencyclidine receptor by displacement of [3H]TCP
50035758	2	ChEMBL_88883 (CHEMBL694786)	Tested for inhibitory activity against IgA1 proteinase in 40% TFE
50035758	1	ChEBML_88881	Tested for inhibitory activity against IgA1 proteinase
50035758	4	ChEMBL_88881 (CHEMBL698217)	Tested for inhibitory activity against IgA1 proteinase
50035764	1	ChEBML_52572	Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)
50035764	2	ChEMBL_52572 (CHEMBL664608)	Antibacterial activity against D-alanyl-D-alanine ligase from Streptococcus faecalis (ATCC 8043)
50035767	3	ChEBML_144760	Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP)
50002476	8	ChEBML_195773	In vitro inhibition of Human kideny renin
50002476	6	ChEMBL_196288 (CHEMBL806642)	In vitro inhibition of porcine plasma renin
50002476	3	ChEMBL_192893 (CHEMBL795932)	In vitro inhibition of dog plasma renin
50002476	9	ChEMBL_195775 (CHEMBL801066)	In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2
50002476	2	ChEMBL_195774 (CHEMBL801065)	In vitro inhibition of Human plasma renin
50035768	1	ChEMBL_47963 (CHEMBL656251)	Displacement of [125 I] CCK-8 from Cholecystokinin type B receptor of guinea pig cerebral cortex
50035768	3	ChEBML_50188	Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas
50035768	2	ChEBML_71516	Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands
50035768	4	ChEMBL_71516 (CHEMBL680912)	Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands
50002107	2	ChEBML_35744	Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS)
50035771	1	ChEBML_157091	Binding affinity for formation of reversible enzyme-ligand complexes with human placental aromatase (PL2)
50035772	1	ChEMBL_152620 (CHEMBL762787)	Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)
50035772	3	ChEBML_152621	Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)
50035772	5	ChEBML_152620	Binding potency towards PGF-2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in bovine corpora lutea plasma membranes (BCLM)
50035773	1	ChEBML_164923	Inhibition of rabbit platelet aggregation induced by platelet activating factor (PAF)
50035774	1	ChEBML_29460	Binding affinity against Adenosine A1 receptor using [3H]CHA in rat brain membranes
50035775	1	ChEBML_51021	In vitro inhibition of Cytochrome P450 19A1
50041164	5	ChEMBL_100146 (CHEMBL712503)	In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilibrium dissociation constant
50035781	5	ChEMBL_45240 (CHEMBL658943)	The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II
50035781	1	ChEMBL_45241 (CHEMBL658944)	The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase
50035782	6	ChEMBL_64513 (CHEMBL677318)	Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum
50035783	4	ChEMBL_139747 (CHEMBL744000)	Compound was evaluated for the inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor from male Olac rat brain.
50035783	3	ChEMBL_139749 (CHEMBL744002)	Inhibition of [3H]QNB binding to muscarinic cholinergic receptor from male Olac rat brain.
50035782	1	ChEBML_64513	Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum
50035782	2	ChEMBL_64506 (CHEMBL676651)	Inhibition of enkephalinase activity in membranes prepared from rabbit
50035782	5	ChEMBL_64507 (CHEMBL677312)	Inhibitory activity against Enkephalinase from rabbit using method 2 is determined.
50035782	3	ChEMBL_64508 (CHEMBL677313)	Inhibition of enkephalinase activity in membranes prepared from rabbit
50035782	4	ChEBML_64507	Inhibitory activity against Enkephalinase from rabbit using method 2 is determined.
50035785	2	ChEMBL_146599 (CHEMBL752703)	The compound was tested for the ability to displace opioid receptor delta specific radioligand [3H]-DSLET
50035785	12	ChEMBL_146580 (CHEMBL755069)	Agonistic activity for opioid receptor delta
50035785	1	ChEMBL_149158 (CHEMBL757701)	The compound was tested for the ability to displace Opioid receptor mu 1 specific radioligand [3H]DAGO
50035785	8	ChEBML_145374	The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE
50035785	6	ChEMBL_145375 (CHEMBL753143)	The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]naloxone
50035785	4	ChEMBL_147196 (CHEMBL756872)	The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DSLET
50035785	13	ChEMBL_146556 (CHEMBL755561)	The compound was tested for the ability to displace mu-receptor specific radioligand [3H]DAGO
50035785	7	ChEBML_147195	The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DPDPE
50035785	9	ChEMBL_147195 (CHEMBL756871)	The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DPDPE
50035789	10	ChEMBL_138646 (CHEMBL749275)	Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane
50035789	3	ChEBML_28161	Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).
50035789	9	ChEMBL_27967 (CHEMBL649147)	Inhibition of eel acetylcholinesterase (AChE) activity by 50% 
50035789	11	ChEBML_138643	Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane
50035789	13	ChEMBL_27969 (CHEMBL649148)	Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)
50035790	4	ChEMBL_148701 (CHEMBL751073)	The ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.
50035790	2	ChEBML_148701	The ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from rat brain membrane.
50035790	1	ChEMBL_146653 (CHEMBL754937)	Binding potency of compound in competition with [3H]DPDPE for Opioid receptor delta 1 tested in rat brain membrane
50035791	2	ChEMBL_50893 (CHEMBL664896)	Competitive inhibition of binding to human placental Cytochrome P450 19A1
50035791	5	ChEMBL_51030 (CHEMBL662243)	Inactivation rate (Ki) for human placental aromatase Cytochrome P450 19A1
50035791	1	ChEMBL_51015 (CHEMBL663782)	Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1
50001616	1	ChEBML_215180	Binding affinity of compound towards Vasopressin receptor by binding [3H]LVP to dog renal medullary preparation.
50035795	20	ChEMBL_1176 (CHEMBL615942)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-HT1A receptor of rat hippocampus and the value ranges from 9 - 12
50035799	1	ChEMBL_70041 (CHEMBL877821)	Compound was tested for inhibition constant against GAR TFase in mice
50035801	12	ChEMBL_2157 (CHEMBL617238)	Ability to bind at serotonin 5-hydroxytryptamine 2 receptors of rat hippocampus by displacing [3H]spiperone
50035801	11	ChEMBL_764 (CHEMBL615866)	Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT
50035801	10	ChEMBL_763 (CHEMBL615865)	Ability to bind at 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT
50035803	1	ChEMBL_146243 (CHEMBL753435)	Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAGO radioligand
50035803	5	ChEMBL_145810 (CHEMBL857694)	Binding inhibition against Opioid receptor kappa 1 of guinea pig was determined using [3H]ethylketocyclazocine
50035803	4	ChEMBL_146883 (CHEMBL751658)	Inhibitory activity against Opioid receptor delta 1 of guinea pig was determined by using [3H]DADLE radioligand
50035803	7	ChEBML_146243	Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAGO radioligand
50035804	4	ChEMBL_195952 (CHEMBL806847)	Inhibitory activity against purified human plasma renin at pH 6.0
50035804	1	ChEMBL_195942 (CHEMBL801668)	Inhibitory activity against human plasma renin at pH 7.4
50035804	3	ChEBML_195953	Inhibitory activity against purified human renal renin at pH 6.0
50035805	13	ChEMBL_98526 (CHEMBL706546)	Inhibition of leucine aminopeptidase
50035805	5	ChEMBL_35371 (CHEMBL647952)	Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	12	ChEMBL_35355 (CHEMBL647937)	Non-competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the slope effect(Kis)
50035805	18	ChEMBL_98524 (CHEMBL706544)	Inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	4	ChEBML_35486	Non-competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the intercept effect(Kii)
50035805	2	ChEMBL_35372 (CHEMBL647953)	Competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	20	ChEMBL_35353 (CHEMBL647935)	Non-competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the Kid
50035805	8	ChEMBL_35487 (CHEMBL875008)	Non-competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	1	ChEMBL_35486 (CHEMBL644597)	Non-competitive inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the intercept effect(Kii)
50035805	15	ChEMBL_35354 (CHEMBL647936)	Non-competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the intercept effect(Kii)
50035805	23	ChEMBL_98525 (CHEMBL706545)	Competitive inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035807	4	ChEBML_140183	Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.
50035810	3	ChEBML_145957	Binding affinity towards Opioid receptor kappa 1 was determined
50035810	2	ChEMBL_146569 (CHEMBL755058)	Binding affinity towards opioid receptor mu was determined
50041170	2	ChEBML_54926	Inhibitory activity against Lactobacillus casei dihydrofolate reductase
50002324	5	ChEMBL_68595 (CHEMBL679768)	Inhibition of [3H]BTX binding to guinea pig voltage-dependent sodium channel
50002324	6	ChEMBL_202422 (CHEMBL805577)	Inhibition of [3H]BTX binding to guinea pig voltage-dependent sodium channel
50002325	2	ChEMBL_30697 (CHEMBL644772)	Binding affinity against A2 adenosine receptors of the central nervous system
50017857	2	ChEMBL_2264097	Inhibition of hERG expressed in HEK293 cells at holding potential of -80 mV by whole cell patch clamp assay
50048823	2	ChEMBL_32635 (CHEMBL642292)	Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical membrane, determined using [3H]- yohimbine as the radioligand.
50048823	3	ChEMBL_33134 (CHEMBL642089)	Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortical membrane, determined using [3H]prazosin as the radioligand
50001846	5	ChEMBL_53150 (CHEMBL665870)	Antibacterial activity against Staphylococcus aureus DHFR
50048823	4	ChEMBL_33133 (CHEMBL642088)	Binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortical membrane, determined using [3H]-prazosin as the radioligand
50001679	3	ChEMBL_97295 (CHEMBL879809)	Dissociation constant was determined in vitro using rat pituitary membranes and [125I]leuprolide as radioligand, at concentration 3.16*10e-5 M
50001679	4	ChEMBL_97296 (CHEMBL711951)	Dissociation constant was determined in vitro using rat pituitary membranes and [125I]-leuprolide as radioligand, at concentration 3.16*10e-6 M
50048824	1	ChEMBL_58977 (CHEMBL668642)	Binding potency of compound for Dopamine receptor D1 by displacing [3H]SCH-23390 radioligand
50048824	2	ChEMBL_61146 (CHEMBL670683)	Binding potency of compound for Dopamine receptor D2 by displacement of [3H]spiperone
50048824	3	ChEMBL_61145 (CHEMBL670682)	Binding potency of compound for Dopamine receptor D2 by displacement of [3H]spiperone
50048825	1	ChEMBL_147487 (CHEMBL754234)	Opioid receptor agonistic potency in guinea pig ileal longitudinal muscle(GPI) preparation
50048825	2	ChEMBL_223424 (CHEMBL872830)	Opioid receptor agonistic potency in guinea pig ileal longitudinal muscle(GPI) preparation
50001864	3	ChEMBL_209433 (CHEMBL814290)	In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, TXA2 by 50%
50035822	2	ChEMBL_3142 (CHEMBL617984)	In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells
50035823	6	ChEMBL_122786 (CHEMBL733874)	Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)
50035824	3	ChEMBL_62898 (CHEMBL676137)	Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand
50035824	4	ChEMBL_63030 (CHEMBL678176)	In vivo compound was evaluated for binding towards Dopamine receptor D2 in rat striatal membranes using competitive binding assay and [125I]IBZM radioligand
50035825	2	ChEMBL_80652 (CHEMBL691938)	Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats
50035817	1	ChEBML_146532	Compound was evaluated for binding affinity towards Opioid receptor kappa 1 using [3H]BREM in guinea pig ileum
50035825	1	ChEMBL_80651 (CHEMBL691937)	Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats
50035817	3	ChEBML_201276	Compound was evaluated for binding affinity towards sigma opioid receptor using [3H](+)-3-PPP in guinea pig ileum
50035817	4	ChEMBL_201277 (CHEMBL804966)	Compound was evaluated for binding affinity towards sigma opioid receptor using [3H]DTG in guinea pig ileum
50035825	3	ChEMBL_78355 (CHEMBL691990)	Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats
50035825	5	ChEMBL_78354 (CHEMBL691989)	Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats
50035819	3	ChEBML_145372	Binding affinity for mouse opioid receptor kappa
50035819	1	ChEBML_201290	Binding affinity for mouse sigma opioid receptor
50035819	2	ChEBML_146419	Binding affinity for mouse opioid receptor mu
50035820	1	ChEBML_216617	Inhibition of alpha-chymotrypsin
50035823	1	ChEBML_122785	Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)
50035825	4	ChEBML_78355	Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats
50001310	9	ChEMBL_54597 (CHEMBL667320)	Concentration inhibiting Dihydrofolate reductase derived from L1210 cells
50001310	7	ChEBML_54606	Inhibitory activity towards Dihydrofolate reductase derived from human manca leukemia cells
50035827	2	ChEBML_146646	Ability to displace [3H]DPDPE from Opioid receptor delta 1 in rat brain membranes, was determined from radioreceptor assay.
50035827	1	ChEBML_148544	Ability to displace [3H]CTOP from Opioid receptor mu 1 in rat brain membranes, was determined from radioreceptor assay
50035828	2	ChEMBL_208196 (CHEMBL819099)	Inhibitory affect against rabbit thymus thymidine kinase
50035828	3	ChEMBL_53731 (CHEMBL663657)	Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase in two references.
50035828	5	ChEMBL_208194 (CHEMBL819097)	Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase in two references.
50035828	1	ChEMBL_53730 (CHEMBL663656)	Inhibitory affect against rabbit deoxycytidine kinase
50035828	4	ChEMBL_208195 (CHEMBL819098)	Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.
50035829	2	ChEMBL_49516 (CHEMBL660240)	Inhibition of human skin fibroblast Collagenase at pH 7.5
50035829	1	ChEBML_49509	Inhibition of human skin fibroblast Collagenase at pH 7.5
50035829	8	ChEMBL_49508 (CHEMBL662803)	Inhibition of human skin fibroblast Collagenase at pH 7.5
50035829	7	ChEBML_35076	Inhibitory activity against Angiotensin I converting enzyme
50035830	1	ChEBML_146388	Binding affinity against Opioid receptor kappa 1
50035831	4	ChEMBL_61587 (CHEMBL675759)	Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes
50035831	5	ChEBML_61589	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.
50035831	11	ChEMBL_61589 (CHEMBL675761)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.
50035831	9	ChEMBL_59158 (CHEMBL671189)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.
50001149	3	ChEMBL_80477 (CHEMBL692725)	Inhibition of cellular HMG-CoA reductase in cultures of hepatic cells (HEP G2, a human hepatoma cell line)
50035836	7	ChEMBL_195969 (CHEMBL807518)	Tested for inhibition of human plasma renin
50035836	4	ChEMBL_195970 (CHEMBL807519)	Tested for inhibition of renin from human
50035836	1	ChEBML_195970	Tested for inhibition of renin from human
50035836	8	ChEMBL_49616 (CHEMBL661266)	Tested for inhibition of Chymotrypsinogen from bovine
50035837	14	ChEBML_1568	Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand
50035837	2	ChEBML_3465	Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells
50035838	2	ChEBML_3470	In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells
50035839	1	ChEBML_131452	Tested in vitro for norepinephrine (NE) neuronal uptake inhibition
50035839	4	ChEMBL_131453 (CHEMBL740208)	Tested in vitro for serotonin(5-HT) neuronal uptake inhibition
50035839	3	ChEBML_131451	Tested in vitro for dopamine(DA) neuronal uptake inhibition
50035839	2	ChEMBL_131451 (CHEMBL740206)	Tested in vitro for dopamine(DA) neuronal uptake inhibition
50035839	5	ChEMBL_131452 (CHEMBL740207)	Tested in vitro for norepinephrine (NE) neuronal uptake inhibition
50035840	2	ChEMBL_37835 (CHEMBL876539)	Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs
50035840	5	ChEBML_37835	Tested for Beta-2 adrenergic receptor selectivity in canine lung tissue in anesthetized dogs
50002360	3	ChEBML_68398	Compound was tested for inhibition of Gamma-amino-N-butyrate transaminase
50035841	4	ChEMBL_177401 (CHEMBL782724)	Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes
50035841	2	ChEBML_177402	Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes
50035841	3	ChEBML_88911	Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain
50042196	4	ChEMBL_59772 (CHEMBL671054)	Binding affinity of [3H]NPA to striatal Dopamine receptor D2 binding sites
50042196	1	ChEMBL_59780 (CHEMBL671061)	Binding affinity of [3H]NPA to striatal Dopamine receptor D2
50042196	3	ChEMBL_59771 (CHEMBL671053)	Binding affinity of [3H]-NPA to striatal Dopamine receptor D2
50035842	1	ChEBML_50885	Binding affinity was measured on Cytochrome P450 19A1
50035843	5	ChEMBL_60189 (CHEMBL674900)	Formation of cAMP on Dopamine receptor D1 in vitro in carp retina
50035843	1	ChEMBL_62397 (CHEMBL672952)	Binding affinity was determined by measuring the ability to displace [125I]N-(p-aminophenethyl)-spiroperidol from Dopamine receptor D2 in rat caudate (in vitro)
50035843	3	ChEBML_60189	Formation of cAMP on Dopamine receptor D1 in vitro in carp retina
50035843	6	ChEMBL_58648 (CHEMBL666362)	Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)
50035843	4	ChEBML_58648	Binding affinity was determined by measuring the ability to displace [125I]SCH-23982 from Dopamine receptor D1 in rat caudate (in vitro)
50035843	7	ChEMBL_58367 (CHEMBL672804)	Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe
50035844	1	ChEBML_49583	Displacement of [125I]BH-CCK-8 from Cholecystokinin type A receptor in guinea pig pancreas
50035847	1	ChEBML_80668	In vitro inhibitory activity was measured against rat liver HMG-CoA reductase
50035847	3	ChEMBL_80668 (CHEMBL691797)	In vitro inhibitory activity was measured against rat liver HMG-CoA reductase
50035849	3	ChEMBL_146232 (CHEMBL755001)	Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593. radioligand
50035849	1	ChEMBL_201137 (CHEMBL803878)	Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand
50035849	11	ChEMBL_146233 (CHEMBL755002)	Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]bremazocine radioligand
50035849	2	ChEBML_201137	Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand
50035849	5	ChEMBL_146231 (CHEMBL755000)	Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593 radioligand
50035849	6	ChEBML_146231	Affinity of compound towards Opioid receptor kappa 1 was determined in presence of [3H]U-69593 radioligand
50035849	8	ChEMBL_201268 (CHEMBL804885)	Affinity of compound towards Sigma opioid receptor was determined in presence of [3H](+)-3-PPP radioligand
50035850	2	ChEBML_29453	Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor
50035851	13	ChEMBL_3399 (CHEMBL619645)	pKi value for inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 receptor
50035851	5	ChEMBL_1866 (CHEMBL872910)	Inhibitory activity against 5-hydroxytryptamine 1C receptor in rat cortical membranes using [3H]mesulergine as a radioligand
50035851	12	ChEMBL_2999 (CHEMBL619789)	Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide as a radioligand
50035851	4	ChEMBL_1976 (CHEMBL617581)	Inhibitory activity against 5-hydroxytryptamine 1D receptor in rat cortical membranes using [3H]5-HT as a radioligand
50035851	14	ChEMBL_3000 (CHEMBL619790)	Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]-1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide as a radioligand
50035853	1	ChEBML_155157	Tested for inhibition of [3H]PAF binding to rabbit Platelet activating factor receptor 
50001334	16	ChEMBL_28424 (CHEMBL642467)	Inhibition activity against AICAR formyltransferase determined against L cell
50001334	2	ChEBML_70825	Inhibition activity against Glycinamide ribonucleotide transformylase (GAR-TFase) against L cell
50001334	4	ChEMBL_28427 (CHEMBL642470)	Inhibition activity against AICAR formyltransferase determined against MOLT-4
50035856	2	ChEBML_49713	Inhibition of binding of [125I]- CCK-33 to guinea pig cortex
50002364	4	ChEBML_209970	Ability to inhibit the thymidylate synthase from murine leukemia L1210 cells was determined and expressed as inhibition constant(Ki)
50002364	5	ChEMBL_209970 (CHEMBL820626)	Ability to inhibit the thymidylate synthase from murine leukemia L1210 cells was determined and expressed as inhibition constant(Ki)
50035859	2	ChEBML_195110	Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase
50035859	4	ChEMBL_195109 (CHEMBL879071)	Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined
50035859	1	ChEMBL_195110 (CHEMBL795005)	Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase
50035860	1	ChEBML_146690	In vitro binding affinity against Opioid receptor mu 1 from bovine caudate nucleus determined in presence of [3H]DAGO (1 nM)
50035864	2	ChEMBL_154061 (CHEMBL761032)	Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenates in vitro was determined
50001372	2	ChEBML_204589	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Range is 30-36
50001372	3	ChEMBL_204589 (CHEMBL814234)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Range is 30-36
50002381	1	ChEBML_207850	Binding affinity was determined against Herpes simplex virus (HSV) -1 thymidine kinase in vero cell monolayer culture
50035865	2	ChEBML_37834	In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)
50035867	2	ChEMBL_62709 (CHEMBL675802)	Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2
50035867	3	ChEMBL_61432 (CHEMBL671406)	In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.
50035867	1	ChEBML_61432	In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2 in rat striatal membranes.
50035870	1	ChEBML_195777	Inhibition of human plasma renin at pH 6
50017857	3	ChEMBL_2264099	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 2 mins in presence of NADPH regenerating system by LC-MS/MS analysis
50017857	4	ChEMBL_2264100	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 12 mins in presence of NADPH regenerating system by LC-MS/MS analysis
50041182	8	ChEMBL_3386 (CHEMBL619416)	Binding affinity to 5-hydroxytryptamine 3 receptor using [3H]quipazine as radioligand in rat cortex
50041182	9	ChEMBL_3385 (CHEMBL619415)	Binding affinity to 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as radioligand in rat cortex
50041182	7	ChEMBL_3112 (CHEMBL620590)	Binding affinity towards 5-hydroxytryptamine 3 receptor was determined by using [3H]-ICS 205-930 as radioligand in mouse N1E 115 cells
50041182	6	ChEMBL_3118 (CHEMBL617961)	Potency at neuronal 5-hydroxytryptamine 3 receptor in the rabbit heart
50035875	7	ChEBML_35061	In vitro inhibition of Angiotensin I converting enzyme in rabbit lung
50035875	5	ChEMBL_35061 (CHEMBL648935)	In vitro inhibition of Angiotensin I converting enzyme in rabbit lung
50035875	6	ChEMBL_35063 (CHEMBL648937)	In vitro inhibition of angiotensin I converting enzyme(ACE) in rabbit lung
50035876	6	ChEBML_147154	Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1
50035876	3	ChEBML_146526	Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of Opioid receptor kappa 1
50035876	1	ChEMBL_146526 (CHEMBL753838)	Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of Opioid receptor kappa 1
50035876	2	ChEMBL_146439 (CHEMBL757336)	Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta
50035876	5	ChEBML_145286	Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1
50035876	7	ChEMBL_145286 (CHEMBL752955)	Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1
50035876	8	ChEMBL_147154 (CHEMBL758179)	Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1
50035876	9	ChEMBL_145224 (CHEMBL755521)	Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of opioid receptor kappa
50035876	4	ChEMBL_146258 (CHEMBL757482)	Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of opioid receptor mu
50035880	2	ChEBML_31763	In vitro inhibitory activity against Aldose reductase isolated from human placenta
50035880	3	ChEMBL_31762 (CHEMBL641356)	In vitro inhibitory activity against Aldose reductase isolated from human placenta
50035881	1	ChEBML_28846	Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presence of 2-chloroadenosine
50035882	8	ChEMBL_2982 (CHEMBL621309)	Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]-5-HT
50035882	7	ChEMBL_2983 (CHEMBL621310)	Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]GR-65630
50035882	6	ChEMBL_2984 (CHEMBL621311)	Binding affinity for central 5-hydroxytryptamine 3 receptor was determined by displacement of [3H]-ketanserin
50001452	2	ChEMBL_36495 (CHEMBL652312)	Concentration required to 50% inhibition in specific binding of [125- I]A-II to Angiotensin II receptor in rat uterine membrane
50035883	1	ChEMBL_90786 (CHEMBL701248)	Inhibitory activity against purified human renal renin at pH 6.5
50035883	3	ChEMBL_192725 (CHEMBL801752)	Inhibitory activity against human plasma renin at pH 7.4
50035883	4	ChEMBL_195943 (CHEMBL801669)	Inhibitory activity against human plasma renin at pH 7.4
50035883	2	ChEBML_192725	Inhibitory activity against human plasma renin at pH 7.4
50035885	1	ChEBML_49342	Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue
50035888	2	ChEMBL_3409 (CHEMBL620723)	Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex
50035889	3	ChEBML_138851	In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine
50035889	2	ChEBML_140172	In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine
50035889	1	ChEBML_138933	In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat cerebral cortex was determined using [3H]pirenzepine
50035891	19	ChEMBL_27474 (CHEMBL642673)	Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA
50035891	6	ChEMBL_29490 (CHEMBL641723)	Evaluated for the binding affinity towards the Adenosine A1 receptor in corpora striata of rats using [3H]CHA as radioligand.
50035891	5	ChEMBL_29608 (CHEMBL640266)	Binding affinity for Adenosine A1 receptor in corpora striata of rats using [3H]NECA
50035891	16	ChEMBL_29332 (CHEMBL643146)	Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA
50035891	17	ChEMBL_176826 (CHEMBL780519)	Evaluated for Ca++ dependent phosphodiesterase activity.
50035891	22	ChEMBL_30535 (CHEMBL643182)	Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.
50035891	8	ChEMBL_28541 (CHEMBL636731)	Evaluated for the binding affinity towards the Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.
50035892	1	ChEBML_146692	Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane
50035893	1	ChEBML_215037	Binding affinity against Vasopressin receptor in rat liver
50035893	2	ChEBML_149183	Binding affinity against oxytocin receptor in rat uterus
50035895	9	ChEMBL_201266 (CHEMBL804883)	In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates
50035895	4	ChEBML_201720	In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates
50035895	6	ChEMBL_201265 (CHEMBL873129)	In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates
50035895	5	ChEMBL_201720 (CHEMBL803918)	In vitro inhibitory activity against [3H]-DTG in guinea pig brain membrane homogenates
50035895	8	ChEMBL_201719 (CHEMBL803917)	In vitro inhibitory activity against [3H]- (+)-3-PPP binding to sigma receptor in guinea pig brain membrane homogenates
50035896	5	ChEBML_146790	Opioid receptor kappa 1 apparent binding constant from guinea pig cerebellum using [3H]diprenorphine binding assay
50035896	1	ChEBML_149141	Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1
50035896	4	ChEBML_145688	Opioid receptor kappa 1 apparent binding constant from rat brain membranes using [3H]DADLE binding assay
50001494	7	ChEBML_216459	Inhibitory concentration which is required to cause 50% inhibition of bovine alpha-chymotrypsin (ChT)
50035898	3	ChEBML_104978	Inhibition constants with Met (L-methionine) substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase
50035898	4	ChEMBL_104976 (CHEMBL715656)	Inhibition constants against ATP substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase
50035898	2	ChEMBL_104975 (CHEMBL715655)	Inhibition constants against ATP substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase
50035898	5	ChEMBL_104978 (CHEMBL715824)	Inhibition constants with Met (L-methionine) substrate site of M-2 (kidney form) variant of rat Methionine adenosyltransferase
50035898	1	ChEMBL_104977 (CHEMBL715657)	Inhibition constants against Met (L-methionine)P substrate site of M-T (Novikoff Ascitic Hepatoma form) variant of rat Methionine adenosyltransferase
50035899	1	ChEBML_195950	Inhibitory activity against human renin
50035899	2	ChEMBL_196291 (CHEMBL806644)	Inhibitory activity against porcine renin
50044007	4	ChEMBL_3039 (CHEMBL620657)	Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.
50044007	6	ChEMBL_3038 (CHEMBL620656)	Compound was evaluated for the displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor in rat brain membranes
50044007	5	ChEMBL_3379 (CHEMBL857075)	Compound was evaluated for the displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 recognition sites in rat brain membranes
50035902	1	ChEBML_145227	Opioid receptor kappa affinity, determined with [3H]etorphine in the presence of excess unlabeled [D-Ala2-MePhe4-Glyol5]-enkephalin
50035902	3	ChEBML_146444	Compound was evaluated for the opioid receptor delta affinity
50035902	6	ChEMBL_145290 (CHEMBL854793)	Compound was evaluated for the Opioid receptor mu 1 affinity determined with [3H][D-Ala2-MePhe4-Gly-ol5]-enkephalin (DAGOL) in the presence of excess unlabeled DAGOL to suppress mu binding.
50035902	5	ChEMBL_146262 (CHEMBL757486)	Compound was evaluated for the Opioid receptor mu affinity determined with [3H][D-Ala2-MePhe4-Gly-ol5]-enkephalin (DAGOL) in the presence of excess unlabeled DAGOL to suppress mu binding.
50035902	2	ChEBML_146264	Compound was evaluated for the opioid receptor mu affinity determined with [3H][D-Ala2-MePhe4-Gly-ol5]-enkephalin (DAGOL) in the presence of excess unlabeled DAGOL to suppress mu binding.
50035902	4	ChEMBL_146527 (CHEMBL753839)	Compound was evaluated for Opioid receptor kappa 1 affinity, determined with [3H]etorphine in the presence of excess unlabeled [D-Ala2-MePhe4-Glyol5]-enkephalin to suppress kappa binding.
50035902	7	ChEMBL_145227 (CHEMBL755678)	Opioid receptor kappa affinity, determined with [3H]etorphine in the presence of excess unlabeled [D-Ala2-MePhe4-Glyol5]-enkephalin
50035903	1	ChEBML_53962	Ability to inhibit purified Dihydrofolate reductase from human leukemic lymphoblasts was determined spectrophotometrically at 340 nM.
50035904	1	ChEBML_54214	Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibition
50035907	1	ChEBML_62574	Binding affinity towards dopamine receptor D2 using as [3H]-spiperone radioligand.
50035908	4	ChEMBL_48263 (CHEMBL663168)	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor
50035908	2	ChEMBL_50177 (CHEMBL662392)	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor
50035908	5	ChEMBL_48264 (CHEMBL663169)	Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor
50041184	2	ChEBML_53629	Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase
50035909	1	ChEBML_80653	Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.
50002397	1	ChEBML_40865	Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate
50035912	1	ChEBML_80660	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.
50035912	2	ChEBML_78556	Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.
50035912	4	ChEMBL_80660 (CHEMBL691945)	In vitro inhibition of HMG-CoA reductase in solubilized rat liver.
50035912	5	ChEMBL_78556 (CHEMBL692247)	Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.
50035913	1	ChEBML_139068	Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates
50035913	2	ChEBML_140189	Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates
50000601	22	ChEMBL_33973 (CHEMBL645238)	Compound was tested for the binding affinity against Alpha-1 adrenergic receptor
50000601	15	ChEBML_61275	Compound was tested for the binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand
50000601	13	ChEBML_58980	Compound was tested for the binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand
50000601	16	ChEBML_140146	Compound was tested for the binding affinity against muscarinic acetylcholine receptor<br>by using [3H]QNB as radioligand
50000601	17	ChEBML_146572	Compound was tested for the binding affinity against opioid receptor mu by using [3H]naloxone as radioligand
50035915	1	ChEBML_61489	Compound was tested for binding affinity to dopamine reuptake sites in the tissue homogenates prepared from primate rat striatum using [3H]CFT as radioligand
50035915	2	ChEBML_201637	Compound was tested for binding affinity to Serotonin transporter sites in homogenates prepared from rat cortical membranes using [3H]paroxetine as radioligand
50035916	2	ChEBML_145801	Binding affinity against Opioid receptor kappa 1, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.
50035916	1	ChEMBL_145202 (CHEMBL753519)	Binding affinity against opioid receptor kappa, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.
50035916	4	ChEMBL_145201 (CHEMBL753518)	Binding affinity against opioid receptor kappa in guinea pig brain membrane using [3H]bremazocine as the radioligand
50035916	3	ChEMBL_145801 (CHEMBL756068)	Binding affinity against Opioid receptor kappa 1, in guinea pig brain membrane, using [3H]bremazocine as the radioligand.
50035917	3	ChEBML_138980	The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.
50035917	16	ChEMBL_138978 (CHEMBL742788)	Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand
50035917	10	ChEMBL_139318 (CHEMBL752311)	Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat brain.
50035917	2	ChEBML_139202	The compound was tested for binding activity against muscarinic acetylcholine receptor M1, using [3H]QNB as the radioligand.
50017857	5	ChEMBL_2264109	Partial agonist activity at human recombinant 5HT4E receptor expressed in COS7 cells assessed as cAMP accumulation by HTRF assay
50017857	6	ChEMBL_2264111	Partial agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by HTRF assay
50035918	2	ChEMBL_92451 (CHEMBL878705)	In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)
50035918	1	ChEBML_92451	In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat kidney (RK)
50035918	5	ChEMBL_32104 (CHEMBL644305)	In vitro inhibition of Aldose reductase (AR) from rat lens (RL)
50035918	4	ChEMBL_32105 (CHEMBL644306)	In vitro inhibitory activity against Aldose reductase from rat lens
50035919	3	ChEMBL_60185 (CHEMBL872877)	Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey
50035919	4	ChEBML_59152	Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey
50035919	6	ChEMBL_59153 (CHEMBL671034)	Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey
50035919	2	ChEBML_60185	Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey
50035919	7	ChEMBL_60186 (CHEMBL674897)	Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey
50035919	1	ChEMBL_59152 (CHEMBL671033)	Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey
50035922	2	ChEMBL_160732 (CHEMBL878991)	Binding activity against HIV-1 Protease
50035922	3	ChEMBL_160733 (CHEMBL767111)	Binding activity against HIV-1 Protease
50035922	1	ChEMBL_160731 (CHEMBL767110)	Binding activity against HIV-1 Protease
50035923	3	ChEMBL_58215 (CHEMBL669945)	The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.
50035923	2	ChEBML_60356	The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1
50035923	1	ChEMBL_58212 (CHEMBL669942)	The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state.
50035923	4	ChEMBL_58213 (CHEMBL669943)	The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state
50035923	8	ChEBML_58211	The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state
50035924	4	ChEMBL_29308 (CHEMBL640369)	Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor
50035926	1	ChEBML_29086	Compound was tested for its ability to inhibit the action of acetylcholinesterase isolated from rat brain cortex
50035926	2	ChEMBL_29086 (CHEMBL636824)	Compound was tested for its ability to inhibit the action of acetylcholinesterase isolated from rat brain cortex
50035927	2	ChEMBL_1325 (CHEMBL616951)	Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.
50035927	5	ChEMBL_1326 (CHEMBL616952)	Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.
50035927	4	ChEMBL_1534 (CHEMBL616357)	Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.
50035927	1	ChEBML_1534	Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.
50002410	1	ChEMBL_30520 (CHEMBL643168)	Apparent binding affinity for Alanine racemase from Pseudomonas aeruginosa
50017857	7	ChEMBL_2264123	In vivo receptor occupancy in Wistar rat assessed as compound required for 50% 5HT4 receptor occupancy in brain administered orally measured after 1 hr by LC-MS/MS analysis
50017857	8	ChEMBL_2264124	In vivo receptor occupancy in Wistar rat assessed as compound required for 50% 5HT4 receptor occupancy in plasma administered orally measured after 1 hr by LC-MS/MS analysis
50017857	9	ChEMBL_2264137	Partial agonist activity at 5HT4A receptor (unknown origin)
50002413	4	ChEBML_213092	Inhibition of TXA2 synthetase from human platelets
50002413	2	ChEBML_194	Inhibition of 11 beta-hydroxylase from rat adrenal gland
50002413	1	ChEBML_152777	Inhibition of PGI-2 synthetase from porcine aorta
50035929	2	ChEBML_54445	Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).
50035929	1	ChEBML_54102	Inhibition of dihydrofolate reductase (DHFR) from human cells (WI-L2/M4).
50035930	3	ChEMBL_773 (CHEMBL615479)	Inhibitory activity against 5-hydroxytryptamine 1 receptor by 3H ligand binding experiments.
50035930	5	ChEMBL_1929 (CHEMBL616983)	Inhibitory activity against 5-hydroxytryptamine 2 receptor by 3H ligand binding experiments.
50035930	4	ChEMBL_34056 (CHEMBL643913)	Inhibitory activity against alpha-2 adrenergic receptor by 3H ligand binding experiments.
50035930	1	ChEBML_61604	Inhibitory activity against dopamine receptor D2 by 3H ligand binding experiments.
50035931	5	ChEMBL_196564 (CHEMBL802329)	Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase
50002414	1	ChEBML_31928	Compound was tested for its ability to inhibit crude aldose reductase obtained from rat lens
50002416	6	ChEMBL_54520 (CHEMBL663867)	Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dCTP using DNA Polymerase assay
50035931	6	ChEMBL_196878 (CHEMBL883536)	Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values.
50035932	1	ChEBML_34788	In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues
50002416	5	ChEMBL_54521 (CHEMBL663868)	Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the absence of dGTP using DNA Polymerase assay
50002416	1	ChEMBL_54514 (CHEMBL663861)	Compound was tested for its inhibitory activity against Bacillus subtilis DNA topoisomerase III using DNA Polymerase assay
50002416	3	ChEMBL_54523 (CHEMBL663870)	Concentration producing 50% inhibition of Bacillus subtilis DNA topoisomerase III in the presence of dGTP using DNA Polymerase assay
50035934	10	ChEMBL_82061 (CHEMBL696208)	In vitro inhibition of estrogen production in hamster ovarian tissue
50035934	9	ChEMBL_177198 (CHEMBL782598)	Inhibition of ACTH-stimulated corticosterone production in rat adrenal tissue
50002416	4	ChEBML_54514	Compound was tested for its inhibitory activity against Bacillus subtilis DNA topoisomerase III using DNA Polymerase assay
50035934	1	ChEMBL_50699 (CHEMBL663244)	In vitro inhibition of cytochrome P450 19A1
50035934	4	ChEMBL_51020 (CHEMBL664412)	Aromatase inhibitor potency as iron-binding-related type II difference spectrum
50035936	1	ChEBML_29172	Binding affinity towards adenosine A1 receptor
50035936	2	ChEMBL_30710 (CHEMBL645453)	Binding affinity towards adenosine A2 receptor
50000581	5	ChEMBL_38733 (CHEMBL647417)	Beta adrenergic receptor agonistic activity for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells
50035938	3	ChEMBL_201271 (CHEMBL804960)	Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand
50035938	4	ChEMBL_201270 (CHEMBL804959)	Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand
50035939	2	ChEMBL_158157 (CHEMBL877988)	Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens
50035939	3	ChEMBL_158158 (CHEMBL766949)	Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes
50035940	1	ChEBML_30806	Inhibition of calf intestinal adenosine deaminase
50002424	1	ChEBML_3900	Inhibition of rat polymorphonuclear leukocyte (PMN) 5-Lipoxygenase in vitro
50002426	5	ChEBML_213090	Inhibition of thromboxane TXA2 synthetase from human platelets
50002426	3	ChEBML_195	Inhibition of rat adrenal 11-beta-hydroxylase
50002426	4	ChEMBL_213090 (CHEMBL815018)	Inhibition of thromboxane TXA2 synthetase from human platelets
50002426	1	ChEBML_152778	Inhibition of porcine aorta prostacyclin PGI-2 synthetase
50035940	2	ChEMBL_30806 (CHEMBL645081)	Inhibition of calf intestinal adenosine deaminase
50035942	1	ChEBML_62017	Inhibition of [3H]WIN-35428 binding to rat striatal membrane dopamine transporter
50035942	2	ChEMBL_62017 (CHEMBL671638)	Inhibition of [3H]WIN-35428 binding to rat striatal membrane dopamine transporter
50035943	1	ChEMBL_195927 (CHEMBL803396)	In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay
50035943	8	ChEMBL_195928 (CHEMBL803284)	In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assay
50035943	6	ChEBML_195928	In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assay
50035944	2	ChEMBL_62894 (CHEMBL676133)	Inhibition of [3H]raclopride binding to rat striatal dopamine receptor D2
50035944	3	ChEMBL_61427 (CHEMBL671401)	Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro
50035944	1	ChEBML_61427	Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro
50002430	2	ChEBML_54893	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR)derived from Lactobacillus casei
50035945	2	ChEMBL_146383 (CHEMBL754740)	Binding affinity of compound was measured against Opioid receptor kappa 1 on electrically stimulated guinea pig ileal longitudinal muscle myenteric plexus (GPI) at 100 nM preparation using U-50,488H as agonist
50035945	4	ChEMBL_145380 (CHEMBL750070)	Binding affinity against Opioid receptor kappa 1 was measured in the guinea pig brain membranes using [3H]EK in the presence of 1 uM unlabeled DAMGO as radioligand
50035945	5	ChEMBL_145185 (CHEMBL754285)	Binding affinity against Opioid receptor delta 1 was measured in the guinea pig brain membranes using [3H]DADLE in the presence of 1 uM unlabeled DAMGO as radioligand
50035945	6	ChEBML_145185	Binding affinity against Opioid receptor delta 1 was measured in the guinea pig brain membranes using [3H]DADLE in the presence of 1 uM unlabeled DAMGO as radioligand
50035945	1	ChEBML_145153	Binding affinity against Opioid receptor mu 1 was measured in the guinea pig brain membranes using [3H]DAMGO as radioligand
50035945	7	ChEBML_145380	Binding affinity against Opioid receptor kappa 1 was measured in the guinea pig brain membranes using [3H]EK in the presence of 1 uM unlabeled DAMGO as radioligand
50041190	2	ChEBML_29274	Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langendorff guinea pig heart preparation
50041190	1	ChEMBL_29274 (CHEMBL640174)	Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the A1 adenosine receptor in langendorff guinea pig heart preparation
50002437	1	ChEBML_31911	In vitro inhibition of rabbit lens aldose reductase.
50002438	1	ChEBML_31925	Compound was tested for 50% inhibitory concentration that was required for irreversible inhibition of aldose reductase
50002440	1	ChEMBL_28015 (CHEMBL641214)	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase
50035948	4	ChEMBL_146543 (CHEMBL754962)	Inhibition of [3H]DAGO binding to trat brain opioid receptor mu in P2 membrane
50035948	1	ChEMBL_146591 (CHEMBL750213)	Inhibition of [3H]-DADLE binding to opioid receptor delta in P2 membrane preparation of rat brain
50035948	3	ChEBML_149005	Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.
50035948	2	ChEBML_147051	Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.
50002446	2	ChEBML_222285	Compound was evaluated for the inhibition of porcine pepsin
50002446	3	ChEBML_222282	Inhibition of Rhizopus chinensis pepsin
50002448	1	ChEBML_154015	Inhibition of porcine pepsin
50002448	2	ChEMBL_154014 (CHEMBL759135)	Inhibitory activity against porcine pepsin substrate Z-His-Phe-DPhe-oMe was determined
50002448	3	ChEMBL_154145 (CHEMBL759815)	Inhibitory activity against porcine pepsin was determined
50017857	10	ChEMBL_2264138	Partial agonist activity at 5HT4D receptor (unknown origin)
50017857	11	ChEMBL_2264139	Partial agonist activity at 5HT4E receptor (unknown origin)
50035950	10	ChEMBL_138140 (CHEMBL747398)	Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetylcholine receptor M3
50035950	11	ChEMBL_138564 (CHEMBL745519)	muscarinic acetylcholine receptor M1
50035953	2	ChEBML_210105	Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.
50035953	1	ChEMBL_210105 (CHEMBL813574)	Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.
50035956	8	ChEMBL_146773 (CHEMBL755216)	Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand)
50035956	7	ChEMBL_146982 (CHEMBL757521)	Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1
50035956	6	ChEBML_146238	Inhibition of opioid receptor mu in guinea pig ileum (GPI)
50002455	1	ChEBML_31932	Concentration required to produce 50% inhibition of aldose reductase enzyme (the literature IC50 value for sorbinil is 0.07 uM)
50002455	2	ChEMBL_31932 (CHEMBL642974)	Concentration required to produce 50% inhibition of aldose reductase enzyme (the literature IC50 value for sorbinil is 0.07 uM)
50035956	3	ChEMBL_148699 (CHEMBL751072)	Opioid receptor mu 1 binding affinity in rat brain membrane preparations by the displacement of [3H]- DAGO
50035956	4	ChEMBL_146774 (CHEMBL755217)	Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]DSLET (Opioid receptor delta 1-selective radioligand)
50035956	2	ChEMBL_146586 (CHEMBL754820)	Displacement of [3H]- DPDPE from delta opioid receptor in rat brain membrane
50035956	11	ChEMBL_146587 (CHEMBL754821)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50035956	10	ChEMBL_145770 (CHEMBL752788)	Compound is tested in vitro in mouse vas deferens (MVD) assay mediated by Opioid receptor delta 1
50000735	1	ChEBML_52358	Binding affinity against LTD4 receptor in guinea pig lung membranes.
50035957	1	ChEBML_145229	Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pig brain membrane
50035957	3	ChEBML_146442	Compound was evaluated for the binding affinity to opioid receptor delta
50035957	2	ChEBML_146263	Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pig brain membrane
50035958	1	ChEMBL_61488 (CHEMBL672390)	Compound was evaluated for inhibition of specifically bound [3H]- cocaine (2.7 nM) against Dopamine transporter in cynomolgus monkeys
50035959	3	ChEMBL_208665 (CHEMBL857607)	Scatchard analysis at concentration of the 1 uM :Apparent affinity constant (Kd) against tachykinin receptor 1
50035959	5	ChEMBL_208666 (CHEMBL813325)	Scatchard analysis at concentration of the 10 uM :Apparent affinity constant (Kd) against tachykinin receptor 1
50035959	4	ChEMBL_208667 (CHEMBL813326)	Scatchard analysis at concentration of the 3 uM :Apparent affinity constant (Kd) against tachykinin receptor 1
50035960	1	ChEMBL_147157 (CHEMBL758768)	Compound was evaluated for binding affinity at Opioid receptor delta 1 in guinea pig brain membranes
50035960	3	ChEMBL_146530 (CHEMBL753842)	Compound was evaluated for binding affinity of Opioid receptor kappa 1 in guinea pig brain membranes
50035960	2	ChEMBL_145287 (CHEMBL752956)	Compound was evaluated for binding affinity at Opioid receptor mu 1 in guinea pig brain membranes
50035961	4	ChEMBL_210711 (CHEMBL813554)	Partial agonist (20%) effect against glucocorticoid induced transactivation of tyrosine aminotransferase
50035961	2	ChEMBL_210714 (CHEMBL879208)	Partial agonist(48%) effect against glucocorticoid induced transactivation of tyrosine aminotransferase
50035963	15	ChEMBL_145892 (CHEMBL754258)	Inhibitory activity measured against Opioid receptor delta 1 using mouse vas deference assay (MVD).
50035963	9	ChEMBL_148696 (CHEMBL751069)	Inhibitory activity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.
50035963	16	ChEMBL_147104 (CHEMBL882760)	Inhibitory activity measured against Opioid receptor mu 1 using guinea pig ileum assay (GPI).
50035963	14	ChEMBL_146771 (CHEMBL755214)	Inhibitory activity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.
50035963	12	ChEMBL_148850 (CHEMBL756646)	Binding affinity measured against [3H]CTOP (Opioid receptor mu 1) in rat brain using radioreceptor binding assays.
50035963	10	ChEMBL_149140 (CHEMBL759231)	Inhibitory activity measured against [3H]CTOP binding to Opioid receptor mu 1 in rat brain using radioreceptor binding assays.
50035963	11	ChEMBL_146909 (CHEMBL757497)	Binding affinity measured against [3H]DPDPE (Opioid receptor delta 1 ligand) in rat brain using radioreceptor binding assays.
50035963	13	ChEMBL_148545 (CHEMBL755347)	Binding affinity measured against [3H]CTOP binding to Opioid receptor mu 1 in rat brain using radioreceptor binding assays.
50035966	2	ChEMBL_44985 (CHEMBL660146)	Inhibition of Bovine Cathepsin D.
50035965	1	ChEMBL_202264 (CHEMBL813378)	Inhibitory activity against microsomal squalene synthase
50044020	1	ChEBML_196960	Tested for the inhibition of HIV-1 reverse transcriptase using a ribosomal RNA template
50035966	1	ChEBML_192887	Inhibition of monkey plasma renin
50035966	4	ChEMBL_195963 (CHEMBL806857)	Inhibitory concentration against human renin
50035967	2	ChEMBL_196260 (CHEMBL803237)	In vitro inhibition constants using recombinant human renin assay
50035967	1	ChEBML_195752	In vitro inhibition of human renin by radio-immuno assay of angiotensin I (ANG I)
50044008	3	ChEMBL_58817 (CHEMBL668241)	Compound was evaluated for its affinity (pKi) to inhibit [3H]SCH-23390 binding to the Dopamine receptor D1
50044008	4	ChEMBL_60947 (CHEMBL673072)	Compound was evaluated for its affinity (pKi) to inhibit [3H]spiperone binding to the Dopamine receptor D2
50035969	2	ChEMBL_159774 (CHEMBL763099)	The compound was tested for its affinity against HIV-1 protease
50035969	1	ChEMBL_157875 (CHEMBL763270)	Binding affinity for HIV-1 protease
50035971	2	ChEMBL_159122 (CHEMBL878774)	Inhibitory activity against HIV-1 protease
50035971	1	ChEBML_159122	Inhibitory activity against HIV-1 protease
50035973	2	ChEBML_61769	The concentration required to inhibit [3H]spiperone binding to dopamine receptor D2 in rat brain membranes (in vitro)
50035973	16	ChEMBL_1940 (CHEMBL617547)	The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)
50035973	5	ChEMBL_83925 (CHEMBL693690)	Binding constant against histamine H1 receptor (in vitro)
50035973	11	ChEMBL_1149 (CHEMBL616094)	Binding constant against 5-hydroxytryptamine 1A receptor (in vivo)
50035974	2	ChEBML_50722	Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1
50035974	3	ChEMBL_50722 (CHEMBL666801)	Inhibition of 1 uM [1-beta-3H]-androstenedione binding to human placental microsome Cytochrome P450 19A1
50035974	1	ChEMBL_50886 (CHEMBL664889)	Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione
50035975	2	ChEMBL_68557 (CHEMBL679644)	Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.
50035976	1	ChEBML_28539	Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor
50035980	6	ChEMBL_61414 (CHEMBL673355)	Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone
50035980	1	ChEBML_58188	Compound was tested in vitro for binding affinity against dopamine receptor D1 in rat striatal membrane by using DA antagonist [3H]NPA
50035980	2	ChEBML_61414	Binding affinity towards dopamine receptor D2 in rat striatal membrane using [3H]spiperone
50002468	9	ChEBML_44976	Inhibition of bovine cathepsin D at pH 3.2
50035980	7	ChEMBL_58191 (CHEMBL671847)	In vitro binding affinity towards dopamine receptor D1 in rat striatal membrane using [3H]-SCH- 23390
50002468	12	ChEMBL_195937 (CHEMBL801663)	Inhibition of human renin at pH 7.0
50002468	13	ChEMBL_154012 (CHEMBL759133)	Inhibition of porcine pepsin at pH 4
50017857	12	ChEMBL_2264179	Agonist activity at human 5HT4E receptor expressed in CHO cells assessed as cAMP accumulation incubated for 4 hrs by luciferase reporter gene luminescence assay
50002468	14	ChEMBL_196254 (CHEMBL803232)	Inhibition of human renin at pH 7.4
50018096	1	ChEMBL_2264182	Allosteric inverse agonist at His tagged RORgammat (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by TR-FRET assay
50002468	5	ChEMBL_44977 (CHEMBL660138)	Inhibition of bovine cathepsin D at pH 3.3(no inhibition)
50018096	2	ChEMBL_2264183	Inverse agonist activity against human RORgammat assessed as IL-17 secretion incubated for 72 hrs by ELISA
50002468	3	ChEMBL_153983 (CHEMBL762334)	Inhibition of porcine pepsin at pH 1.9
50018096	3	ChEMBL_2264184	Inverse agonist activity at human RORgammat LBD (265 to 507 residues) expressed in sf9 cells assessed as corepressor peptide recruiting activity by FRET assay
50018096	4	ChEMBL_2264185	Inverse agonist activity at His tagged RORgammat (unknown origin) incubated for 20 mins by TR-FRET assay
50018096	5	ChEMBL_2264186	Inverse agonist activity at RORgammat (unknown origin) incubated for 20 mins by reporter gene assay
50035984	5	ChEMBL_162362 (CHEMBL769169)	Effect of PMA on inhibition of PKC alpha (Protein kinase C)
50035984	4	ChEBML_161880	Inhibition of cAMP-dependent kinase PKA(Protein kinase A) catalytic subunit at 100 uM
50002468	2	ChEBML_45183	Inhibition of rabbit liver cathepsin D at pH 4.0
50035984	8	ChEBML_162244	In vitro inhibition of [32P] incorporation into histones by rat brain partially purified Protein kinase C in the presence of PMA, [Ca2+] and phosphatidylserine.
50035987	1	ChEBML_62000	Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to Dopamine transporter in rat striatal membranes.
50035988	1	ChEBML_61994	Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes
50002469	1	ChEBML_196420	Inhibitory concentration was measured against plasma renin from rat
50035988	3	ChEMBL_61994 (CHEMBL670104)	Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes
50000633	5	ChEBML_138777	Ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane from muscarinic acetylcholine receptor in rat cortical tissue.
50000633	4	ChEBML_138776	Compound was tested for its ability to displace [3H]cis--2-methyl-5-((dimethylamino)methyl)-1,3-di oxolane from Muscarinic acetylcholine receptor in rat cortical tissue
50035989	8	ChEMBL_214391 (CHEMBL819412)	Negative log of Kd for Vasopressin V1 receptor
50035989	10	ChEMBL_211095 (CHEMBL815438)	Binding potency against V1 receptor in rat liver cells
50035989	7	ChEMBL_214392 (CHEMBL819413)	Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay (Vasopressin V1 receptor)
50035989	13	ChEMBL_214388 (CHEMBL821119)	Binding potency against Vasopressin V1 receptor in rat liver cells.
50035989	9	ChEMBL_211098 (CHEMBL815441)	Negative log of Kd.
50035989	1	ChEBML_214391	Negative log of Kd for Vasopressin V1 receptor
50035991	3	ChEBML_50058	Inhibition of [125I](BH)-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic acini; Inactive
50035991	5	ChEMBL_50058 (CHEMBL662427)	Inhibition of [125I](BH)-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic acini; Inactive
50035991	1	ChEBML_216728	Concentration required to inhibit by 50% the specific binding of [125I](BH)-CCK-8 to CCK-B(B2) in rat brain cortex
50035993	2	ChEMBL_161418 (CHEMBL766686)	Kinetic constant was measured for PMII of Leishmania donovani promastigotes using protein extracted from the 12000 g pellet (P12).
50035993	5	ChEMBL_161421 (CHEMBL766689)	Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction
50035993	1	ChEBML_161419	Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction
50035998	1	ChEBML_195520	Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).
50036001	1	ChEBML_49717	Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.
50002476	1	ChEMBL_195773 (CHEMBL801064)	In vitro inhibition of Human kideny renin
50002476	5	ChEBML_196302	In vitro inhibition of rat plasma renin
50002476	4	ChEBML_44971	In vitro inhibition of bovine cathepsin D
50002478	2	ChEMBL_195783 (CHEMBL873106)	In vitro inhibitory activity against renin at 10e-5 (M)
50002478	6	ChEMBL_195789 (CHEMBL801710)	In vitro inhibitory activity was tested against purified human renal renin
50002478	3	ChEMBL_195784 (CHEMBL801706)	In vitro inhibitory activity against renin at 10e-6 (M)
50002478	4	ChEMBL_195785 (CHEMBL801707)	In vitro inhibitory activity against renin at 10e-8(M)
50002478	1	ChEMBL_195782 (CHEMBL801705)	In vitro inhibitory activity against renin
50036002	1	ChEBML_205411	Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips
50002502	1	ChEBML_1196	Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain
50002502	2	ChEMBL_1113 (CHEMBL616058)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain
50002512	2	ChEMBL_29452 (CHEMBL641037)	Binding of 1 nM [3H]CHA to Adenosine A1 receptor of rat cerebral cortical membranes
50002512	6	ChEMBL_184451 (CHEMBL789405)	Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 receptor of VA13 fibroblasts of rat
50036003	5	ChEMBL_70331 (CHEMBL678836)	The compound was tested for the inhibition of fibrinogen receptor
50036003	7	ChEMBL_89731 (CHEMBL696585)	Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma
50002519	6	ChEBML_55078	Evaluated for inhibition of dihydrofolate reductase (DHFR) from Lactobacillus casei
50018096	6	ChEMBL_2264187	Displacement of 25-[26,27-3H2]-hydroxycholesterol from RORgammat (unknown origin) assessed as inhibition constant by scintillation proximity assay
50018096	7	ChEMBL_2264190	Inhibition of human IL-17 by whole blood assay
50002519	3	ChEBML_28408	Compound was tested for inhibition of AICAR formyltransferase
50018096	8	ChEMBL_2264191	Inverse agonist activity at His tagged human RORgammat incubated for 1 hrs in presence of biotinylated co-activator peptide by FRET assay
50018096	9	ChEMBL_2264192	Inverse agonist activity at human RORgammat LBD expressed in Jurkat cells incubated for 24 hrs by Gal4 luciferase reporter gene assay
50018096	10	ChEMBL_2264193	Inverse agonist activity against human RORgammat assessed as IL-17 secretion by ELISA
50018096	11	ChEMBL_2264194	Inverse agonist activity against human RORgammat by FRET assay
50036004	2	ChEMBL_83429 (CHEMBL878194)	The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM
50036005	1	ChEBML_80349	Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.
50036005	2	ChEMBL_80349 (CHEMBL692133)	Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.
50036007	2	ChEMBL_31757 (CHEMBL641351)	ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.
50036007	3	ChEMBL_31761 (CHEMBL641355)	Compound was tested in vitro for its inhibitory activity against human placental aldose reductase
50036007	1	ChEBML_31757	ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.
50036007	5	ChEMBL_31771 (CHEMBL643098)	Inhibitory activity against human placental aldose reductase
50000497	10	ChEMBL_138853 (CHEMBL748614)	Inhibition of [3H]QNB binding to m3 receptor transfected with CHO cell
50036008	9	ChEMBL_145220 (CHEMBL755517)	Binding affinity against opioid receptor kappa from guinea pig brain, using [3H](-)-bremazocine as radioligand.
50036008	4	ChEMBL_226552 (CHEMBL846629)	Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand.
50036008	10	ChEMBL_139461 (CHEMBL752169)	Binding affinity against muscarinic cholinergic receptor from rat brain, using [3H]-QNB as radioligand.
50036008	1	ChEBML_226553	Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.
50036008	11	ChEMBL_226553 (CHEMBL846630)	Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand.
50036008	3	ChEBML_146362	Binding affinity against Opioid receptor kappa 1 from guinea pig brain, using [3H](-)-bremazocine as radioligand.
50036008	7	ChEMBL_62224 (CHEMBL670698)	Binding affinity against dopamine receptor D2 from rat brain, using [3H](-)-sulpiride as radioligand.
50041198	5	ChEMBL_85511 (CHEMBL696492)	Inhibition of [125I]APT binding to H2 receptors in guinea pig cerebral membranes.
50036009	2	ChEBML_220941	Binding affinity against opioid receptor kappa from guinea pig brain membranes using [3H]ethylketocyclazocine as radioligand
50036009	3	ChEBML_146255	Binding affinity against opioid receptor mu from guinea pig brain membranes using [3H]naloxone as radioligand
50036009	1	ChEBML_146435	Binding affinity against opioid receptor delta from guinea pig brain membranes using [3H]DADLE as radioligand
50036010	1	ChEBML_28837	Inhibition of [3H]CHA binding to adenosine A1 receptor from rat brain membranes
50002526	1	ChEBML_40718	Inhibition constant (Ki) for TEM-1 beta-lactamase
50036011	3	ChEMBL_62407 (CHEMBL675732)	Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI
50036011	1	ChEMBL_61743 (CHEMBL676050)	Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor
50036012	35	ChEMBL_27783 (CHEMBL645919)	Binding affinity against adenosine A2 receptor from human platelet membranes using [3H]NECA
50036012	11	ChEMBL_29156 (CHEMBL637705)	Binding affinity against adenosine A1 receptors from rat brain membranes using [3H]CCPA
50036012	33	ChEMBL_27762 (CHEMBL643367)	Maximal NECA stimulation of adenylate cyclase via adenosine A2 receptor in human platelet membranes
50036012	1	ChEMBL_29160 (CHEMBL637709)	Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX
50036012	34	ChEMBL_27782 (CHEMBL645918)	Binding affinity against Adenosine A2 receptor from human platelet membranes using [3H]NECA
50002533	3	ChEMBL_124551 (CHEMBL857623)	Inactivation of monoamine oxidase measured as kinetic constant, KI at 0.2-10 conc range
50036012	4	ChEMBL_29158 (CHEMBL637707)	Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX
50036012	26	ChEMBL_27612 (CHEMBL644331)	Maximal NECA stimulation of adenylate cyclase via Adenosine A2 receptor in human platelet membranes
50002533	2	ChEMBL_124553 (CHEMBL734347)	Inactivation of monoamine oxidase measured as kinetic constant, KI at 0.8-4 conc range
50036012	27	ChEMBL_27613 (CHEMBL643986)	Binding affinity against A2 adenosine receptors from rat striatal membranes with 50 nM CPA using [3H]NECA
50002533	4	ChEMBL_124555 (CHEMBL734349)	Inactivation of monoamine oxidase measured as kinetic constant, KI at 1-5 conc range
50036012	28	ChEMBL_27610 (CHEMBL875808)	Maximal NECA stimulation of adenylate cyclase via A2 receptors in human platelet membranes
50036012	14	ChEMBL_29157 (CHEMBL637706)	Binding affinity against high affinity component of Adenosine A1 receptor from rat brain membranes using [3H]-DPCPX
50036012	13	ChEMBL_29159 (CHEMBL637708)	Binding affinity against low affinity component of Adenosine A1 receptor from rat brain membranes using [3H]DPCPX
50036012	36	ChEMBL_30702 (CHEMBL644777)	Binding affinity against adenosine A2 receptor from rat striatal membranes with 50 nM CPA using [3H]-NECA
50036012	24	ChEMBL_28546 (CHEMBL640325)	Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranes
50036012	22	ChEMBL_29148 (CHEMBL639428)	Binding affinity against A1 adenosine receptors from rat brain membranes using [3H]CCPA
50036012	16	ChEMBL_29151 (CHEMBL639431)	Binding affinity against Adenosine A1 receptor from rat brain membranes using [3H]CCPA
50036012	37	ChEMBL_30867 (CHEMBL873059)	Maximal NECA stimulation of adenylate cyclase via Adenosine A2 receptor in human platelet membranes.
50036012	25	ChEMBL_29627 (CHEMBL636645)	Inhibition of adenylate cyclase via Adenosine A1 receptor in rat fat cell membranes
50036012	29	ChEMBL_27611 (CHEMBL644330)	Binding affinity against A2 adenosine receptors from human platelet membranes using [3H]NECA
50036013	4	ChEBML_146873	Inhibition of [3H]DPDPE binding to guinea pig brain membrane Opioid receptor delta 1 at 1.0 nM
50036013	3	ChEBML_146239	inhibition of 1.0 nM [3H]- DAGO binding to guinea pig brain membrane opioid receptor mu
50036013	2	ChEBML_145204	Displacement of 0.5 nM [3H]bremazocine from guinea pig brain membrane opioid receptor kappa with 100 nM DAGO and 100 nM DPDPE
50036015	2	ChEBML_61852	Compound was evaluated for the inhibition of [3H]WIN-35428l binding to dopamine transporter
50036015	1	ChEBML_201636	Inhibition of [3H]paroxetine binding to Serotonin transporter
50036015	3	ChEMBL_142625 (CHEMBL751162)	Inhibition of [3H]mazindol binding to Norepinephrine transporter
50036016	19	ChEMBL_52041 (CHEMBL666279)	The compound was tested for binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membrane
50036016	31	ChEMBL_158124 (CHEMBL762600)	The compound was tested for inhibitory activity against cyclooxygenase in mouse macrophages
50036016	13	ChEBML_52041	The compound was tested for binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membrane
50036066	4	ChEBML_145427	The compound was evaluated for binding affinity against Opioid receptor mu 1 in guinea pig brain membranes
50036066	2	ChEBML_145348	The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593
50036066	1	ChEBML_147290	The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand
50036066	3	ChEMBL_145427 (CHEMBL747995)	The compound was evaluated for binding affinity against Opioid receptor mu 1 in guinea pig brain membranes
50002540	3	ChEBML_153986	Inhibitory activity against porcine pepsin
50002540	1	ChEBML_44979	Inhibitory activity against bovine cathepsin D
50002540	2	ChEBML_195949	Inhibitory activity against human renin
50002540	4	ChEBML_196286	Inhibitory activity against mouse renin
50002542	1	ChEBML_195945	Inhibition of human renal renin at pH 6
50002547	2	ChEMBL_71742 (CHEMBL680264)	Inhibitory binding constant for Gonadotropin-releasing hormone receptor
50036068	1	ChEBML_209943	Inhibitory activity against human Thromboxane A2 synthase
50042201	2	ChEMBL_27470 (CHEMBL642479)	Evaluated for binding affinity against Adenosine A1 receptor
50036105	4	ChEMBL_574 (CHEMBL615444)	Compound was evaluated for its ability to displace [3H]DPAT from 5-HT1A receptor in homogenates of bovine hippocampus
50036105	5	ChEBML_62421	Compound was evaluated for its ability to displace [3H]raclopride from Dopamine receptor D2 in rat striatal homogenates
50036106	3	ChEMBL_28925 (CHEMBL637745)	Compound was evaluated for the binding affinity by displacing [3H]methylscopolamine [3H]NMS from mouse cerebral cortex tissue.
50002556	1	ChEBML_195971	Tested for the inhibition of human plasma renin
50002556	2	ChEMBL_195971 (CHEMBL807520)	Tested for the inhibition of human plasma renin
50036106	7	ChEMBL_138559 (CHEMBL745515)	Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to Muscarinic acetylcholine receptor M1 of mouse cerebral cortex
50036106	5	ChEBML_138664	Compound was evaluated for the competitive inhibition of [3H]pirenzepine binding to muscarinic acetylcholine receptor M1 of mouse cerebral cortex
50036106	11	ChEMBL_28926 (CHEMBL637746)	Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.
50036130	2	ChEBML_198268	Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles
50006295	6	ChEMBL_30723 (CHEMBL648802)	Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand
50006078	12	ChEMBL_223456 (CHEMBL844071)	Binding affinity for progesterone 17-alpha,20-lyase
50006078	15	ChEMBL_48770 (CHEMBL663245)	Binding affinity for cholesterol 17-alpha-hydroxylase
50006078	3	ChEMBL_218500 (CHEMBL824123)	Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes
50002558	1	ChEBML_154906	Inhibitory potency on plasma renin obtained from Sprague-Dawley rats
50006078	16	ChEMBL_218499 (CHEMBL823964)	Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes
50006193	1	ChEMBL_28187 (CHEMBL875512)	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits
50006193	2	ChEBML_28349	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits
50002563	1	ChEMBL_212938 (CHEMBL815925)	Compound was tested for inhibitory activity against human platelet microsomal TXA2 synthase
50002564	1	ChEMBL_196099 (CHEMBL804783)	The compound was tested for inhibition of human renal renin at the pH optimum 7.4
50002565	1	ChEBML_196259	Compound was evaluated for inhibitory activity against human kidney renin
50002567	1	ChEBML_196306	Inhibition against rat plasma renin.
50002567	3	ChEBML_195933	Inhibition against purified human renal renin
50002567	6	ChEBML_44974	Inhibition against cathepsin D
50002567	2	ChEMBL_196305 (CHEMBL805020)	Inhibition against rat plasma renin
50005942	5	ChEBML_130082	Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)
50005942	6	ChEBML_73553	Tested for inhibition of amplification of electrically induced twitch in guinea pig ileum (GPI)
50005942	7	ChEMBL_221943 (CHEMBL844216)	Binding affinity was determined on mu [3H]DAGO site in rat brain synaptosomes by radioreceptor assay
50005942	4	ChEMBL_73553 (CHEMBL684401)	Tested for inhibition of amplification of electrically induced twitch in guinea pig ileum (GPI)
50005942	2	ChEBML_221943	Binding affinity was determined on mu [3H]DAGO site in rat brain synaptosomes by radioreceptor assay
50002569	1	ChEBML_195944	Inhibitory activity against human plasma renin.
50005942	3	ChEMBL_130082 (CHEMBL735758)	Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)
50005942	1	ChEBML_147043	Binding affinity was determined on delta [3H]DPDPE site in rat brain synaptosomes by radioreceptor assay
50006330	1	ChEMBL_221702 (CHEMBL823402)	Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma
50002885	1	ChEMBL_78342 (CHEMBL691978)	Binding affinity against HMG-CoA reductase in rat liver microsomes
50006331	3	ChEMBL_36941 (CHEMBL648844)	Displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta angiotensin II receptor, type 1
50002578	1	ChEBML_153306	Binding affinity to phenylethanolamine N-methyltransferase(PNMT) in bovine
50002579	2	ChEBML_49566	Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas
50002579	3	ChEBML_73258	Displacement of [125I]gastrin from guinea pig gastric glands
50002590	1	ChEBML_3924	In vitro inhibition of 5-lipoxygenase in RBL-1 cells
50036202	1	ChEMBL_3237 (CHEMBL618923)	Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.
50006334	2	ChEMBL_202287 (CHEMBL814055)	Inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate in rat liver microsomal assay
50036203	1	ChEMBL_36747 (CHEMBL648528)	In vitro inhibitory activity against rat serum angiotensin I converting enzyme using hippuryl-glycyl-glycine as substrate
50002594	1	ChEBML_153310	In vitro inhibition of compound towards phenylethanolamine N-methyltransferase(PNMT) isolated from bovine adrenal glands
50005716	4	ChEMBL_146658 (CHEMBL753555)	Compound was tested for binding affinity towards kappa opioid receptor in guinea pig cerebellar membrane using [3H]bremazocine
50005716	3	ChEMBL_221944 (CHEMBL844217)	Compound was tested for binding affinity towards mu-opioid receptor in rat forebrain membrane using [3H]DAMGO
50036213	1	ChEMBL_27659 (CHEMBL636848)	Inhibition of [3H]- vesamicol binding to synaptic vesicles preparation from the electric organ of Torpedo californica
50036214	2	ChEMBL_164922 (CHEMBL770633)	Inhibition of PAF-induced rabbit platelet aggregation
50036214	1	ChEMBL_151700 (CHEMBL760449)	Inhibition of [3H]PAF binding to rabbit platelet membrane
50036216	3	ChEMBL_123021 (CHEMBL729206)	Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)
50036216	5	ChEMBL_123023 (CHEMBL729208)	Apparent inhibitory constant (Ki) for Bufuralol 1'-hydroxylation by human liver microsomes
50036216	9	ChEMBL_123020 (CHEMBL729205)	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
50036216	2	ChEMBL_147854 (CHEMBL758056)	Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation
50036216	6	ChEMBL_123019 (CHEMBL729204)	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
50036216	7	ChEMBL_147856 (CHEMBL754768)	Inhibitory constant for cytochrome P450 2D6
50036216	1	ChEMBL_123018 (CHEMBL729203)	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
50036216	10	ChEMBL_123016 (CHEMBL729201)	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
50036216	4	ChEMBL_123017 (CHEMBL729202)	Inhibition of 1'-hydroxybufuralol formation by human liver microsomes
50036218	3	ChEMBL_100088 (CHEMBL709706)	Compound was evaluated for the time-dependence inhibition of MAO-B at 20 minutes pre-incubation periods
50036218	4	ChEMBL_100090 (CHEMBL709708)	Compound was evaluated for the time-dependence inhibition of MAO-B at 60 minutes preincubation periods
50036218	2	ChEMBL_99933 (CHEMBL710497)	In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A)
50036218	6	ChEMBL_100087 (CHEMBL709705)	Compound was evaluated for the time-dependence inhibition of MAO-B at 0 minute pre-incubation periods
50036218	7	ChEMBL_100089 (CHEMBL709707)	Compound was evaluated for the time-dependence inhibition of MAO-B at 30 minutes pre-incubation periods
50036218	5	ChEMBL_99932 (CHEMBL710496)	Compound was evaluated for the time-dependence inhibition of MAO-A at 60 minutes of preincubated period. values are same with or without pre-incubation
50036218	1	ChEMBL_100091 (CHEMBL709709)	In vitro inhibitory activity on rat brain MAO-B.
50036219	5	ChEMBL_61839 (CHEMBL673209)	Binding affinity of compound at site labeled by [3H]-cocaine in rat forebrain.
50036219	1	ChEMBL_61836 (CHEMBL673206)	Displacement of [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) from rat forebrain dopamine transporter
50036219	3	ChEMBL_61838 (CHEMBL673208)	Inhibition of [3H]cocaine binding to rat forebrain dopamine receptor
50002618	1	ChEBML_3805	In vitro inhibition of 5-lipoxygenase from human polymorphs
50006129	3	ChEMBL_217016 (CHEMBL821551)	Inhibition of bovine heart cGMP-inhibited PDE at 100 uM
50006289	1	ChEMBL_36780 (CHEMBL650301)	Inhibition of [125I]angiotensin binding to a guinea pig adrenal membrane preparation which corresponds to Angiotensin II receptor, type 1
50035754	2	ChEBML_207840	Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase
50004913	4	ChEMBL_217623 (CHEMBL820366)	Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)
50004913	2	ChEMBL_217625 (CHEMBL820368)	Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)
50004913	1	ChEMBL_217152 (CHEMBL824581)	Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)
50036220	1	ChEMBL_1101 (CHEMBL616424)	Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT
50036220	2	ChEMBL_1792 (CHEMBL616765)	Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor
50006004	3	ChEMBL_731 (CHEMBL615633)	Inhibitory concentration against 5-lipoxygenase from mouse macrophage
50006004	4	ChEMBL_3866 (CHEMBL619382)	Inhibition of 5-lipoxygenase from mouse macrophage
50006004	2	ChEMBL_3821 (CHEMBL618007)	Inhibition of 5-lipoxygenase from human whole blood
50006004	1	ChEMBL_728 (CHEMBL615630)	Inhibitory concentration against 5-lipoxygenase from human whole blood
50002634	2	ChEBML_50739	KI value was determined from plots of 1/kinact(observed) vs 1/[inhibitor]; Apparent values at pH 5.0, 0.24 mM O2
50006007	1	ChEMBL_145886 (CHEMBL754252)	In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens
50006007	4	ChEMBL_136094 (CHEMBL745616)	In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus
50006007	3	ChEMBL_138880 (CHEMBL747872)	Inhibition of [3H]CTOP binding to rat brain homogenate mu-opioid receptor
50006007	2	ChEMBL_146648 (CHEMBL754932)	Inhibition of [3H][p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor
50036222	3	ChEMBL_136096 (CHEMBL745618)	Inhibitory concentration against electrically evoked contractions of guinea pig ileum longitudinal muscle-myenteric plexus
50036222	4	ChEMBL_146651 (CHEMBL754935)	Binding affinity towards delta opioid receptor was determined in rat brain using [H]-[p-Cl-Phe4]-DPDPE as radioligand
50036222	1	ChEMBL_145895 (CHEMBL754260)	Inhibitory concentration against delta opioid receptor of electrically induced smooth muscle contraction of mouse vas deferens
50006009	1	ChEMBL_99929 (CHEMBL710494)	Compound was tested for the inhibition of monoamine oxidase A (MAO A) from human liver
50036223	4	ChEMBL_160640 (CHEMBL768250)	Inhibition of protein kinase C delta
50036223	5	ChEMBL_160426 (CHEMBL763596)	Inhibition of protein kinase C alpha
50036223	6	ChEMBL_161143 (CHEMBL767411)	Inhibition of protein kinase C gamma
50036224	1	ChEMBL_30798 (CHEMBL645074)	In vitro inhibition of adenosine deaminase isolated from calf intestine.
50006018	5	ChEMBL_205498 (CHEMBL810390)	Inhibition of recombinant full length stromelysin (FLS).
50006018	4	ChEMBL_205499 (CHEMBL810391)	In vitro inhibition of recombinant stromelysin catalytic domain.
50006018	3	ChEMBL_205625 (CHEMBL812384)	Inhibition of recombinant stromelysin catalytic domain (SCD)
50006018	2	ChEMBL_205624 (CHEMBL812383)	Inhibition of recombinant full length stromelysin (FLS)
50006019	1	ChEMBL_209417 (CHEMBL816624)	Inhibition test of thromboxane A2 synthetase in human gel-filtered platelets.
50036225	1	ChEMBL_85063 (CHEMBL690997)	Compound was tested for H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium
50036226	3	ChEMBL_873 (CHEMBL615928)	Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates
50036226	1	ChEMBL_1427 (CHEMBL872107)	Inhibition of binding of [125I]8-OH-PIPAT ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates
50036229	1	ChEMBL_147289 (CHEMBL755877)	The binding affinity on delta-opioid receptor using [3H]- DPDPE as radioligand
50036229	2	ChEMBL_138750 (CHEMBL747923)	The binding affinity against mu-opioid receptor using [3H]- DAMGO as radioligand
50036229	3	ChEMBL_146798 (CHEMBL756053)	The binding affinity on kappa-opioid receptor using [3H]- U-69,593 as radioligand
50002650	2	ChEMBL_152421 (CHEMBL763768)	In vitro inhibitory activity measured against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)
50002650	1	ChEBML_152421	In vitro inhibitory activity measured against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)
50002658	2	ChEBML_29325	Binding affinity towards adenosine A1 receptor using [3H]N-cyclohexyladenosine in rat whole brain membranes.
50036230	2	ChEMBL_62642 (CHEMBL676687)	Inhibitory constant towards reuptake of [125I]-13 from dopamine transporter in rat striatal membranes
50036230	1	ChEMBL_62641 (CHEMBL676686)	Inhibitory constant towards reuptake of [125I]-12 from dopamine transporter in rat striatal membranes
50005845	2	ChEMBL_146870 (CHEMBL749998)	Binding affinity of compound towards delta receptor by using radioligand [SHIDPDPE on guinea pig brain membranes
50005845	3	ChEMBL_145804 (CHEMBL756071)	Binding affinity of compound towards kappa receptor by using radioligand [3H]-U-69,593 on guinea pig brain membranes
50005845	1	ChEMBL_136089 (CHEMBL745612)	Binding affinity of compound towards mu receptor by using radioligand [3H]DAMG0 on guinea pig brain membranes
50005849	1	ChEMBL_49582 (CHEMBL661235)	Concentration that inhibited 50% of specific binding of [125I]Bolton-Hunter CCK-8 binding in guinea pig pancreas
50002659	1	ChEBML_28547	Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenosine ([3H]CHA) in rat whole brain membranes.
50002661	3	ChEBML_63669	Inhibitory activity against human leukocyte elastase at 10e-9 M
50002661	1	ChEMBL_63669 (CHEMBL670473)	Inhibitory activity against human leukocyte elastase at 10e-9 M
50002661	4	ChEMBL_63665 (CHEMBL675721)	Inhibitory activity against human leukocyte elastase at 10e-5 M
50036232	4	ChEMBL_47810 (CHEMBL660024)	In vitro binding for half maximal inhibition of [125I]- Bolton-Hunter-CCK-8 in guinea pig pancreas
50002661	8	ChEMBL_63664 (CHEMBL675720)	Inhibitory activity against human leukocyte elastase at 10e-4 M
50002661	6	ChEMBL_63964 (CHEMBL677433)	Binding affinity towards human leukocyte elastase at 10e-8 M
50036233	3	ChEMBL_145893 (CHEMBL754259)	Inhibitory activity of the electrically induced smooth muscle contraction of mouse vas deferens
50036233	2	ChEMBL_146764 (CHEMBL755208)	Evaluation for the binding affinity by competitive inhibition of [3H]- p-chloro DPDPE binding
50036233	1	ChEMBL_138761 (CHEMBL747847)	Inhibitory activity of the electrically induced guinea pig ileum longitudinal muscle-myenteric plexus
50002662	1	ChEBML_68885	Binding affinity towards [3H]GHB binding site
50036233	4	ChEMBL_138884 (CHEMBL747876)	Evaluation for the binding affinity by competitive inhibition of [3H]- CTOP binding
50036234	1	ChEMBL_146724 (CHEMBL753262)	Evaluation for the inhibition of delta opioid binding to bovine striatal membranes by the affinity ligand 0.2 nM [3H]-p-Cl-DPDPE radiolabeled opioid
50036234	8	ChEMBL_146618 (CHEMBL857688)	Evaluation for the inhibition of delta opioid binding to bovine striatal membranes by the affinity ligand 0.2 nM [3H]p-Cl-DPDPE
50036235	1	ChEMBL_143043 (CHEMBL750292)	Concentration required to inhibit the specific binding of [125I]BH-SP to Neurokinin-1 (NK-1) receptor in rat brain synaptosomes
50036235	3	ChEMBL_143201 (CHEMBL747339)	Concentration required to inhibit the specific binding of [125I]BH-ELE to Neurokinin-3 (NK-3) receptor in rat brain synaptosomes
50036235	2	ChEMBL_143188 (CHEMBL749850)	Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes
50036236	3	ChEMBL_54442 (CHEMBL669645)	Compound was tested for the inhibition of dihydrofolate reductase in P388 cells
50036236	2	ChEMBL_53933 (CHEMBL669355)	Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver
50005855	3	ChEMBL_36636 (CHEMBL652347)	Binding affinity against AT1 receptor in the presence of 0.01% BSA
50036237	1	ChEMBL_28198 (CHEMBL637691)	Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits
50002674	2	ChEBML_140042	Binding affinity towards muscarinic receptor of gastric fundus containing Muscarinic acetylcholine receptor M2
50002674	3	ChEMBL_138690 (CHEMBL747657)	Binding affinity towards Muscarinic acetylcholine receptor M1 of cerebral cortex
50002674	1	ChEBML_138691	Binding affinity towards muscarinic receptor of cerebral cortex containing Muscarinic acetylcholine receptor M1
50005861	3	ChEMBL_155361 (CHEMBL762506)	Inhibitory potency against pig aortic PDE V.
50002680	1	ChEBML_217876	Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells
50002686	1	ChEBML_29092	In vitro inhibitory activity against acetylcholinesterase using rat striatal preparations
50005861	5	ChEMBL_157209 (CHEMBL768860)	Inhibitory potency against pig aortic PDE IV
50036238	2	ChEMBL_28395 (CHEMBL636814)	Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria
50036238	5	ChEMBL_28850 (CHEMBL644127)	Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand
50036238	10	ChEMBL_28849 (CHEMBL876570)	Affinity for A1 Adenosine receptor in rat brain using [3H]CHA
50036238	9	ChEMBL_28396 (CHEMBL636815)	Negative chronotropic activity for A1 Adenosine receptor in spontaneously beating rat atria
50044009	1	ChEMBL_201908 (CHEMBL873466)	Displacement of (+)-3PPP from sigma receptor of rat brain membrane
50044009	2	ChEMBL_61139 (CHEMBL670072)	Displacement of spiperone from dopamine receptor D2 of rat brain membrane
50002694	2	ChEBML_54446	Inhibition of dihydrofolate reductase (DHFR) in mouse L1210 leukemia cells
50002694	1	ChEBML_68665	Inhibition of Folyl-polyglutamate synthase from mouse liver
50005589	1	ChEMBL_28495 (CHEMBL645925)	Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay
50005590	1	ChEMBL_201876 (CHEMBL807239)	Binding affinity against sigma receptor of MCF cells
50036239	2	ChEMBL_145767 (CHEMBL752785)	Binding affinity opioid receptor
50036239	3	ChEMBL_136076 (CHEMBL744995)	Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI, mu) bioassay in vitro
50036239	4	ChEMBL_145747 (CHEMBL752636)	Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro
50036239	1	ChEMBL_145766 (CHEMBL752784)	Binding affinity opioid receptor
50036240	6	ChEMBL_60191 (CHEMBL674902)	Binding affinity towards dopamine receptor D1 in calf striatum
50036240	1	ChEMBL_33026 (CHEMBL643951)	Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex
50036240	5	ChEMBL_59314 (CHEMBL670208)	Binding affinity against D2 receptor in calf caudate nucleus
50002697	1	ChEBML_62100	Binding affinity against Dopamine receptor D2 from rat brain corpus striatal preparations using [3H]spiperone
50002697	2	ChEBML_58514	Binding affinity against Dopamine receptor D1 from rat brain corpus striatal preparations using [3H]SCH-23390
50036240	7	ChEMBL_835 (CHEMBL615835)	Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes
50036240	2	ChEMBL_32974 (CHEMBL644689)	Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex
50036240	3	ChEMBL_2107 (CHEMBL617142)	Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex
50036240	4	ChEMBL_1769 (CHEMBL616553)	Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus
50036241	1	ChEMBL_28340 (CHEMBL646540)	In vitro inhibition of rat intestinal acyl coenzyme A:cholesterol acyltransferase using [1-14C]oleolyl-CoA
50036242	1	ChEMBL_34911 (CHEMBL648447)	Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)
50002701	3	ChEMBL_214849 (CHEMBL824691)	In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in human
50002701	6	ChEMBL_31424 (CHEMBL645298)	In vitro antagonist activity was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in pig
50005599	5	ChEMBL_215170 (CHEMBL821343)	Inhibition constant for V1a receptor of rat liver membrane
50005599	1	ChEMBL_215169 (CHEMBL821342)	Tested for dissociation constant at V1a receptor of rat liver membrane
50005599	4	ChEMBL_215171 (CHEMBL821344)	Tested for inhibition constant determined from vasopressin induced inositol phosphates accumulation performed on WRK1 cell line of V1a receptor subtype
50036243	1	ChEMBL_144465 (CHEMBL755112)	Tested for inhibitory potency against neutral endopeptidase (NEP)
50036243	4	ChEMBL_210390 (CHEMBL812110)	Tested for binding affinity against Thermolysin
50036243	9	ChEMBL_144464 (CHEMBL755111)	Tested for inhibition against neutral endopeptidase (NEP)
50036243	5	ChEMBL_144472 (CHEMBL755537)	Tested for binding affinity against neutral endopeptidase (NEP)
50036244	5	ChEMBL_146370 (CHEMBL759290)	Binding affinity against kappa-opioid receptor in guinea pig brain membranes
50036244	7	ChEMBL_221924 (CHEMBL842489)	Binding affinity against mu-opioid receptor in guinea pig brain membranes
50036244	1	ChEMBL_138739 (CHEMBL747761)	Binding affinity against mu-opioid receptor in guinea pig brain membranes
50036244	6	ChEMBL_136087 (CHEMBL745610)	Antagonist activity against mu-opioid receptor in guinea pig ileum in the presence of morphine
50036244	4	ChEMBL_145798 (CHEMBL756065)	Antagonist activity against kappa-opioid receptor in guinea pig ileum in the presence of ethylketazocine
50005609	2	ChEMBL_2498 (CHEMBL617385)	Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]ketanserin.
50005609	4	ChEMBL_2497 (CHEMBL617384)	Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]DOI.
50036246	2	ChEMBL_200981 (CHEMBL801234)	Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain
50036246	1	ChEMBL_140114 (CHEMBL752115)	The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over muscarinic 2 in rat using [3H]QN as radioligand
50036246	19	ChEMBL_139965 (CHEMBL749020)	The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over muscarinic 1 in rat using [3H]pirenzepine as radioligand
50005616	8	ChEMBL_28919 (CHEMBL637739)	Inhibitory activity against acetylcholinesterase in mice at the dose of 5.0 mg/kg via peroral administration
50036247	2	ChEMBL_201223 (CHEMBL801199)	Binding affinity of [3H]citalopram for serotonin transporter in monkey
50036247	1	ChEMBL_61353 (CHEMBL673255)	Displacement of [3H]WIN-35428 from monkey dopamine transporter
50036248	1	ChEMBL_151699 (CHEMBL760448)	Antagonist activity against platelet activating factor (PAF) receptor in rabbit platelet membranes using [3H]C18-PAF as radioligand
50036250	1	ChEMBL_157472 (CHEMBL765791)	In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.
50036251	1	ChEMBL_205786 (CHEMBL812414)	In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane
50036251	2	ChEMBL_205806 (CHEMBL882133)	In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane
50005625	7	ChEMBL_155848 (CHEMBL766944)	Inhibition of cAMP specific-PDE 4 from porcine aorta
50005625	3	ChEMBL_155842 (CHEMBL768661)	Inhibitory activity against cGMP-phosphodiesterase from porcine aorta
50005625	4	ChEMBL_155977 (CHEMBL758445)	Inhibition of cGMP-inhibited PDE 3 from porcine aorta
50005627	2	ChEMBL_208885 (CHEMBL872721)	Binding affinity for thrombin was reported
50005627	7	ChEMBL_208862 (CHEMBL810936)	In vitro activity against trypsin was determined
50036252	2	ChEMBL_138882 (CHEMBL747874)	Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain membranes
50036252	3	ChEMBL_145905 (CHEMBL750394)	Tested for agonist activity against delta opioid receptor mouse vas deferens
50036252	5	ChEMBL_145906 (CHEMBL750395)	Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted of mu binding sites by pretreatment with irreversible ligand BIT for delta opioid receptor
50036252	4	ChEMBL_221919 (CHEMBL842484)	Tested for agonist activity against mu opioid receptor in guinea pig ileum
50036252	1	ChEMBL_138725 (CHEMBL747114)	Tested for agonist activity against mu opioid receptor in guinea pig ileum
50005630	1	ChEMBL_145681 (CHEMBL754277)	In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay
50036253	2	ChEMBL_71288 (CHEMBL684992)	Tested for inhibitory activity against human erythrocyte glyoxalase I
50036254	1	ChEMBL_54256 (CHEMBL669252)	Tested in vitro for inhibitory concentration against CCRF-CEM human Leukemic lymphoblast by using DHFR as primary target
50036254	2	ChEMBL_54131 (CHEMBL668671)	Tested for inhibitory concentration against human dihydrofolate reductase(DHFR)
50005637	3	ChEMBL_50696 (CHEMBL663241)	In vitro competitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes
50005637	4	ChEMBL_51032 (CHEMBL662245)	The binding affinity was determined on Cytochrome P450 19A1 by analysis of Dixon plot
50005637	6	ChEMBL_51038 (CHEMBL662251)	Time dependent inactivation of aromatase cytochrome P450 19A1 from Kitz-Wilson plot
50005637	2	ChEMBL_50697 (CHEMBL663242)	In vitro competitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes
50005637	5	ChEMBL_51037 (CHEMBL662250)	Time dependent inactivation of Cytochrome P450 19A1 was obtained by Kitz-Wilson plot
50041213	1	ChEMBL_158032 (CHEMBL766933)	Inhibitory activity against HIV-1 Protease
50036257	1	ChEMBL_62490 (CHEMBL677547)	Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen
50018099	1	ChEMBL_2264195	Binding affinity to human MDM4 assessed as inhibition constant
50005645	5	ChEMBL_138999 (CHEMBL744599)	Tested for binding affinity towards mu receptor in presence of [3H]NAL radioligand
50005645	6	ChEMBL_146793 (CHEMBL754153)	Tested for binding affinity towards kappa receptor in presence of [3H]EKC radioligand
50018099	2	ChEMBL_2264196	Binding affinity to human MDM2 assessed as inhibition constant
50036258	2	ChEMBL_139846 (CHEMBL745744)	Binding affinity towards muscarinic m1 receptor
50036258	1	ChEMBL_140093 (CHEMBL752970)	Binding affinity towards muscarinic m2 receptor
50036258	4	ChEMBL_201099 (CHEMBL807414)	Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)-SKF 10047 as radioligand in rat brain
50036258	8	ChEMBL_226572 (CHEMBL848649)	Tested for its binding affinity towards sigma-1 site in presence of [3H]- -(+)3 PPP
50036258	9	ChEMBL_226573 (CHEMBL848650)	Tested for its binding affinity towards sigma-1 site in presence of [3H]- dextromethorphan
50036259	2	ChEMBL_33054 (CHEMBL649804)	Tested for its ability to antagonize epinephrine induced primary wave aggregation in human platelets at alpha-2A-adrenergic receptor sites.
50036260	3	ChEMBL_202883 (CHEMBL810001)	In vitro inhibitory activity against human type 2 5-alpha reductase
50036260	1	ChEMBL_205220 (CHEMBL816494)	In vitro inhibitory activity against human type 1 5-alpha reductase
50036261	1	ChEMBL_28185 (CHEMBL639302)	In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA into cholesterol esters by intestinal microsomes isolated from cholesterol-fed rabbits
50002753	2	ChEBML_216452	Binding constant to alpha-chymotrypsin was determined by competitive inhibition assay with BTEE as substrate
50002753	4	ChEMBL_216619 (CHEMBL819191)	Binding constant alpha-chymotrypsin was determined by competitive inhibition assay with BTEE as substrate
50002753	3	ChEMBL_216620 (CHEMBL819192)	Binding constant alpha-chymotrypsin was determined by competitive inhibition assay with Suc-Ala-Ala-Pro-Phe-pNA as substrate
50002757	1	ChEBML_64511	Concentration for 50% inhibition of activity of rat kidney enkephalinase
50005434	1	ChEMBL_31729 (CHEMBL646267)	Tested for effective dose agonist activity against adenylate cyclase in rat striatal membrane
50005434	5	ChEMBL_31725 (CHEMBL646264)	Effective concentration against adenylate cyclase
50005434	3	ChEMBL_61754 (CHEMBL676061)	Tested for its affinity towards D2 receptor in rat striatal membrane
50005434	4	ChEMBL_58343 (CHEMBL671958)	Tested for its affinity towards Dopamine receptor D1 in rat striatal membrane
50005661	2	ChEMBL_34913 (CHEMBL648449)	Tested in vitro for its inhibitory activity against angiotensin converting enzyme
50005661	4	ChEMBL_144467 (CHEMBL883418)	Ttested for its inhibitory activity against neutral endopeptidase (NEP)
50005661	1	ChEMBL_144466 (CHEMBL755532)	In vitro inhibitory activity against neutral endopeptidase (NEP)
50005662	2	ChEMBL_162034 (CHEMBL766674)	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)
50005662	1	ChEMBL_162035 (CHEMBL766675)	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)
50005665	1	ChEMBL_159638 (CHEMBL763582)	Tested for inhibitory activity against HIV protease enzyme
50005666	1	ChEMBL_832 (CHEMBL615832)	Binding affinity was measured against serotonin 5-hydroxytryptamine 1A receptor
50005666	2	ChEMBL_1973 (CHEMBL617578)	Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor
50005666	4	ChEMBL_810 (CHEMBL767044)	Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor
50005666	3	ChEMBL_1974 (CHEMBL617579)	Binding affinity was measured against serotonin 5-hydroxytryptamine 1D receptor
50004929	2	ChEMBL_195688 (CHEMBL800605)	The 50% inhibitory concentration was measured as inhibition of Ribonuclease H activity of reverse transcriptase
50004929	3	ChEMBL_195687 (CHEMBL800604)	The 50% inhibitory concentration was measured as inhibition of RNA-dependent DNA polymerase activity
50004929	1	ChEMBL_195686 (CHEMBL800603)	The 50% inhibitory concentration was measured as inhibition of DNA-dependent DNA polymerase activity
50005435	2	ChEMBL_61573 (CHEMBL673374)	In vitro binding affinity was measured by displacement of [3H]- raclopride from D2 receptor isolated from the striata of male Dawley rats
50005435	1	ChEMBL_861 (CHEMBL615917)	In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A receptor by displacement of [3H]- tetralin
50005678	9	ChEMBL_2816 (CHEMBL617845)	Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2C receptor
50005678	7	ChEMBL_61348 (CHEMBL673251)	Affinity was evaluated as inhibition constant for dopamine D-4 receptor
50005678	2	ChEMBL_2609 (CHEMBL617477)	Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2A receptor
50005678	4	ChEMBL_60060 (CHEMBL671374)	Affinity was evaluated as inhibition constant for dopamine D-2 receptor
50005679	4	ChEMBL_29600 (CHEMBL640258)	Specific binding of [3H]CPX to the A1-adenosine receptor
50005679	8	ChEMBL_29595 (CHEMBL640253)	Inhibition of specific binding of [3H]CPX to the A1 adenosine receptor in DDT1 MF-2 (DDT) cells.
50005680	4	ChEMBL_49496 (CHEMBL662791)	Binding constant containing a pseudophenylalanine residue
50005681	1	ChEMBL_41588 (CHEMBL654882)	Compound was evaluated for the in vitro inhibition of the Butyrylcholinesterase from horse serum
50036265	3	ChEMBL_63040 (CHEMBL678343)	Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand
50036265	1	ChEMBL_63048 (CHEMBL679938)	In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, expressed in CHO-K1 cells, using [3H]U-86170 as radioligand
50036265	6	ChEMBL_63044 (CHEMBL676706)	Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as radioligand in rats.
50036265	10	ChEMBL_62773 (CHEMBL676300)	Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor (DA) receptors expressed in CHO-K1 cells [3H]-spiperone as radioligand
50036265	2	ChEMBL_1437 (CHEMBL616310)	Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue
50036265	9	ChEMBL_63041 (CHEMBL678344)	Tested for affinity against cloned mammalian dopamine autoreceptor (DA) D2 receptors expressed in CHO-K1 cells using [3H]spiperone as radioligand
50036265	8	ChEMBL_63042 (CHEMBL878282)	Tested for affinity against cloned mammalian dopamine autoreceptor (DA) D2 receptors expressed in CHO-K1 cells using [3H]spiperone as radioligand
50036265	14	ChEMBL_1436 (CHEMBL616309)	Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain
50005688	1	ChEMBL_36630 (CHEMBL652869)	In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor using radioligand [125I]-Sar Ile-AII
50036268	1	ChEMBL_146996 (CHEMBL753817)	Tested for inhibitory concentration against [3H]DPDPE binding at sites of delta-opioid receptor in guinea pig brain membrane
50036268	4	ChEMBL_138726 (CHEMBL872342)	Tested for inhibitory concentration against [3H]DAMGO binding at sites of mu-opioid receptor in guinea pig brain membrane
50036268	5	ChEMBL_145935 (CHEMBL748538)	Tested for inhibitory concentration against [3H]U-69593 binding at kappa-opioid receptor sites in guinea pig brain membrane
50036268	2	ChEMBL_145937 (CHEMBL748540)	Tested for inhibitory concentration against [3H]U-69593 binding at sites of kappa-opioid receptor in guinea pig brain membrane
50036268	6	ChEMBL_145936 (CHEMBL748539)	Tested for inhibitory concentration against [3H]U-69593 binding at sites kappa-opioid receptor in guinea pig brain membrane
50036269	1	ChEMBL_62180 (CHEMBL672119)	Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat
50005698	7	ChEMBL_43688 (CHEMBL653666)	In vitro inhibition of porcine erythrocyte calpain 1.
50005698	5	ChEMBL_43852 (CHEMBL658513)	Tested for inhibitory activity on porcine calpain 2 from kidney
50005698	2	ChEMBL_43847 (CHEMBL658509)	Tested for inhibitory activity on human calpain 2 from placenta
50005698	8	ChEMBL_43672 (CHEMBL656205)	Tested for inhibitory activity on human calpain 1 from erythrocytes
50005698	6	ChEMBL_43851 (CHEMBL873193)	Tested for inhibitory activity on bovine calpain 2 from heart
50005698	1	ChEMBL_43848 (CHEMBL658510)	Tested for inhibitory activity on human calpain II from placenta
50005699	7	ChEMBL_196664 (CHEMBL803397)	Tested for binding affinity against [3H]-ATRA binding to retinoid receptor isoform (RAR gamma) expressed in baculovirus
50005699	4	ChEMBL_196663 (CHEMBL799698)	Effective concentration against retinoid receptor isoform (RAR gamma) expressed in CV-1 cells
50005699	3	ChEMBL_196482 (CHEMBL798296)	Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha
50005699	11	ChEMBL_196658 (CHEMBL799693)	Effective concentration against retinoid receptor isoform (RAR beta) expressed in CV-1 cells
50005699	2	ChEMBL_196472 (CHEMBL879373)	Effective concentration against retinoid receptor isoform (RXR alpha) expressed in CV-1 cells
50005699	12	ChEMBL_196631 (CHEMBL798185)	Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta
50005699	8	ChEMBL_196648 (CHEMBL800761)	Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RXR gamma
50005699	6	ChEMBL_196646 (CHEMBL800759)	Effective concentration against retinoid receptor isoform (RXR gamma) expressed in CV-1 cells
50005699	5	ChEMBL_197407 (CHEMBL799797)	Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR alpha
50005699	13	ChEMBL_196630 (CHEMBL798184)	Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells
50005699	9	ChEMBL_197386 (CHEMBL799705)	Effective concentration against retinoid receptor isoform (RAR alpha) expressed in CV-1 cells
50005699	1	ChEMBL_196471 (CHEMBL799618)	Inhibition of [3H]ATRA binding to baculovirus expressed retinoid receptor RAR alpha
50005699	10	ChEMBL_196659 (CHEMBL799694)	Inhibition of [3H]ATRA binding to baculovirus expressed retinoid receptor RAR beta
50002816	12	ChEMBL_154402 (CHEMBL759164)	Inhibition of cAMP-phosphodiesterase PDE 3 from guinea pig, range 1.68-2.03
50002816	7	ChEBML_154261	Inhibition of cGMP phosphodiesterase PDE 2 from guinea pig, range 27-41
50005440	1	ChEMBL_35493 (CHEMBL646403)	Inhibitory potency was measured on aminopeptidase N (APN)
50002818	1	ChEBML_210453	Inhibition of thromboxane formation at a concentration of 10e -6 M.
50002822	1	ChEBML_216362	Inhibition of carnitine palmitoyl transferase (CPT), assessed with isolated rat liver mitochondria
50005443	8	ChEMBL_192906 (CHEMBL795267)	Tested in vitro for its ability to inhibit the ferret plasma renin
50005443	6	ChEMBL_192898 (CHEMBL795111)	Tested in vitro for its ability to inhibit the dog plasma renin
50005443	7	ChEMBL_192905 (CHEMBL795266)	Tested in vitro for its ability to inhibit the dog plasma renin
50005443	4	ChEMBL_195973 (CHEMBL879243)	Tested in vitro for its ability to inhibit the human plasma renin
50005443	10	ChEMBL_192908 (CHEMBL795269)	Tested in vitro for its ability to inhibit the ferret plasma renin
50005443	9	ChEMBL_192907 (CHEMBL795268)	Tested in vitro for its ability to inhibit the ferret plasma renin
50036270	7	ChEMBL_4177 (CHEMBL883796)	Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cells
50005456	2	ChEMBL_147277 (CHEMBL755199)	In vivo binding affinity against delta Opioid receptor was measured by using labeled ligand [3H]DADLE (1 nM) with 4 nM sufentanil
50005460	1	ChEMBL_146683 (CHEMBL753174)	Inhibition of radioligand [3H]U-69593 binding to kappa 1 receptor of guinea pig brain
50005460	7	ChEMBL_147177 (CHEMBL754476)	Inhibition of radioligand [3H]DADLE binding to rat brain delta receptor
50005460	5	ChEMBL_138997 (CHEMBL744597)	Inhibition of radioligand [3H]DAMGO binding to rat brain mu receptor
50005460	2	ChEMBL_201745 (CHEMBL809879)	Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain
50002838	6	ChEMBL_209805 (CHEMBL815671)	Evaluated for the inhibition of thymidylate synthase in intact L1210 cells
50002838	3	ChEMBL_209807 (CHEMBL877151)	Evaluated for the inhibition of thymidylate synthesis in intact L1210 cells
50002840	4	ChEMBL_59296 (CHEMBL669432)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.1-1.4
50002840	2	ChEMBL_59298 (CHEMBL884443)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 21-35
50002840	6	ChEMBL_59295 (CHEMBL669431)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 0.4-1.1
50002840	1	ChEMBL_59299 (CHEMBL669434)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 76-220
50002840	7	ChEMBL_59294 (CHEMBL669430)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value range from 8.9-13
50002840	5	ChEMBL_59300 (CHEMBL669435)	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 89-121
50002840	3	ChEBML_59295	Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 0.4-1.1
50018099	3	ChEMBL_2264197	Inhibition of human MDM4 by ELISA assay
50018099	4	ChEMBL_2264198	Inhibition of human MDM2 by ELISA assay
50018099	5	ChEMBL_2264201	Binding affinity to human MDM2 assessed as dissociation constant by FP assay
50018099	6	ChEMBL_2264202	Binding affinity to human MDM4 assessed as dissociation constant by FP assay
50018099	7	ChEMBL_2264203	Binding affinity to human MDM2 assessed as dissociation constant
50036273	2	ChEMBL_215172 (CHEMBL821345)	Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane
50036273	3	ChEMBL_148874 (CHEMBL882495)	Inhibition of radioligand [3H]OT binding to oxytocin receptor (OT) in guinea pig myometrium membrane
50036276	1	ChEMBL_49581 (CHEMBL661234)	Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas
50006041	1	ChEMBL_3972 (CHEMBL618070)	Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated with the calcium ionophore A-23187
50005465	3	ChEMBL_99485 (CHEMBL704373)	Tested for antagonistic activity against LTB4 receptor in guinea pig spleen membrane
50005473	1	ChEMBL_201955 (CHEMBL809142)	Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS
50005473	2	ChEMBL_202098 (CHEMBL814033)	Inhibition of juvenile male rat liver microsomal squalene synthase
50005478	1	ChEMBL_63836 (CHEMBL674886)	Binding affinity against human leukocyte elastase (HLE) enzyme
50018099	8	ChEMBL_2264204	Binding affinity to human MDM4 assessed as dissociation constant
50002855	4	ChEBML_53751	Inhibition of bovine desmolase, cytochrome P450 11A1
50018099	9	ChEMBL_2264205	Binding affinity to human MDM4 assessed as dissociation constant by ITC assay
50018099	10	ChEMBL_2264208	Binding affinity to human MDM4 assessed as inhibition constant by fluorescence based assay
50018099	11	ChEMBL_2264209	Binding affinity to human MDM2 assessed as inhibition constant by fluorescence based assay
50002855	1	ChEMBL_51034 (CHEMBL662247)	Inhibition of human placental cytochrome P450 19A1 with testosterone
50018099	12	ChEMBL_2264210	Binding affinity to human MDM4 assessed as inhibition constant by fluorescence polarization assay
50018099	13	ChEMBL_2264211	Binding affinity to human MDM2 assessed as inhibition constant by fluorescence polarization assay
50018099	14	ChEMBL_2264212	Antagonist activity against human MDM2 by TR-FRET assay
50018099	15	ChEMBL_2264214	Inhibition of human MDM4
50018099	16	ChEMBL_2264215	Inhibition of human MDM2
50002855	7	ChEMBL_50540 (CHEMBL661157)	Inhibition of human placental cytochrome P450 19A1 with testosterone
50018099	17	ChEMBL_2264216	Inhibition of human his-tagged MDM4 assessed as dissociation constant by ITC assay
50018099	18	ChEMBL_2264223	Inhibition of human MDM4 by TR-FRET assay
50036282	5	ChEMBL_146612 (CHEMBL750113)	Inhibition against delta receptor from displacement studies using 1.5 nM [3H]DPDPE in rhesus monkey cortex membrane
50036282	6	ChEMBL_201905 (CHEMBL808196)	Binding affinity against sigma receptor was determined
50036282	11	ChEMBL_146314 (CHEMBL758861)	Binding affinity against opioid receptor by displacing radioligand [3HlU69,593
50036282	10	ChEMBL_146313 (CHEMBL758860)	Binding affinity against opioid receptor by displacing radioligand [3H]DPDPE
50005491	1	ChEMBL_159296 (CHEMBL763336)	Evaluated for the inhibition of HIV protease
50002867	1	ChEBML_80654	Inhibition of solubilized, purified rat liver HMG-CoA reductase.
50002871	1	ChEBML_201787	Evaluated for inhibition of the human sputum elastase (HSE)
50005495	2	ChEMBL_145564 (CHEMBL752653)	Evaluated for the binding affinity at kappa receptor
50005499	7	ChEMBL_61345 (CHEMBL673248)	Tested for binding affinity towards human D2L receptor using [3H]spiperone as radioligand
50005499	6	ChEMBL_61753 (CHEMBL676060)	In vitro inhibition of [3H]spiperone binding to Dopamine D2 receptor in rat striatum.
50005499	4	ChEMBL_63047 (CHEMBL676709)	Tested for binding affinity towards rat striatal D2 receptor using [3H]spiperone as radioligand
50005499	2	ChEMBL_58678 (CHEMBL670242)	Tested for binding affinity towards rat striatal dopamine receptor D1 using [3H]-SCH- 23390 as radioligand
50005499	8	ChEMBL_61156 (CHEMBL671242)	Tested for binding affinity towards human Dopamine receptor D4.2 using [3H]spiperone as radioligand
50005499	5	ChEMBL_62427 (CHEMBL674831)	Tested for binding affinity towards human D3 receptor using [3H]spiperone as radioligand
50005499	1	ChEMBL_63046 (CHEMBL676708)	Tested for binding affinity towards rat striatal D2 receptor using [3H]NPA as radioligand
50036285	1	ChEMBL_72880 (CHEMBL684048)	Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Leishmania mexicana
50002882	1	ChEBML_212941	Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in platelet rich plasma.
50036285	2	ChEMBL_72890 (CHEMBL684057)	Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei
50036285	3	ChEMBL_72902 (CHEMBL684096)	Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte
50036286	3	ChEMBL_29642 (CHEMBL639749)	Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes
50036286	1	ChEMBL_31068 (CHEMBL640428)	Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes
50036286	2	ChEMBL_30614 (CHEMBL642021)	Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO cells transfected with rat A3-cDNA
50002899	1	ChEBML_28623	Inhibitory activity against acetylcholinesterase in human blood
50002910	1	ChEBML_3957	In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells
50018099	19	ChEMBL_2264224	Inhibition of human MDM2 by TR-FRET assay
50018099	20	ChEMBL_2264225	Inhibition of human MDM4 by SRP assay
50018099	21	ChEMBL_2264234	Inhibition of MDM4 assessed as dissociation constant
50018102	1	ChEMBL_2264273	Binding affinity to human EP2 receptor expressed in CHO cells assessed as inhibition constant
50018102	2	ChEMBL_2264274	Binding affinity to human DP1 receptor expressed in CHO cells assessed as inhibition constant
50018102	3	ChEMBL_2264275	Binding affinity to EP1 receptor (unknown origin) assessed as inhibition constant
50018102	4	ChEMBL_2264276	Binding affinity to EP3 receptor (unknown origin) assessed as inhibition constant
50018102	5	ChEMBL_2264277	Binding affinity to human EP4 receptor expressed in CHO cells assessed as inhibition constant
50018102	6	ChEMBL_2264278	Binding affinity to EP2 receptor in human mast cell assessed as inhibition constant
50018102	7	ChEMBL_2264279	Binding affinity to DP1 receptor in human mast cell assessed as inhibition constant
50018102	8	ChEMBL_2264280	Binding affinity to EP4 receptor in human mast cell assessed as inhibition constant
50018104	1	ChEMBL_2264315	Inhibition of LSD1 (unknown origin)
50041217	1	ChEMBL_50035 (CHEMBL666755)	Binding affinity against cholecystokinin type A receptor of rat pancreas
50005513	1	ChEMBL_51869 (CHEMBL665880)	Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A)
50036287	1	ChEMBL_37276 (CHEMBL656026)	Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver
50036287	7	ChEMBL_32944 (CHEMBL646086)	Concentration that causes 50% inhibition of soluble mammalian alpha-mannosidase in rat liver; NI is less than 50 % inhibition at 1000 uM
50036287	16	ChEMBL_30407 (CHEMBL641730)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi II) was determined in rat liver
50036287	2	ChEMBL_34414 (CHEMBL649418)	Concentration that causes 50% inhibition of mammalian alpha-glucosidase (lysosomal) was determined in rat liver
50036287	5	ChEMBL_208277 (CHEMBL812721)	Concentration that causes 50% inhibition of mammalian trehalase was determined in porcine kidney
50036287	15	ChEMBL_37305 (CHEMBL876542)	Concentration that causes 50% inhibition of mammalian beta-galactosidase (lactase ) was determined in rat intestine
50036287	20	ChEMBL_30412 (CHEMBL645966)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase was determined in rat epididymis
50036287	11	ChEMBL_37295 (CHEMBL655207)	Tested for competitive inhibition of bovine liver beta-galactosidase
50036287	23	ChEMBL_30402 (CHEMBL640816)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase (Golgi I) was determined in rat liver
50036287	9	ChEMBL_34416 (CHEMBL649420)	Concentration that causes 50% inhibition of mammalian alpha-glucosidase (maltase) was determined in rat intestine
50036287	3	ChEMBL_37567 (CHEMBL647648)	Concentration that causes 50% inhibition of mammalian cellobiase beta-glucosidase was determined in rat intestine
50036287	4	ChEMBL_30410 (CHEMBL645964)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase (lysosomal) was determined in rat liver
50036287	22	ChEMBL_208281 (CHEMBL813415)	Concentration that causes 50% inhibition of mammalian trehalase was determined in rat intestine
50036287	6	ChEMBL_32946 (CHEMBL646336)	Tested for competitive inhibition of golgi alpha mannosidase II
50036287	25	ChEMBL_37306 (CHEMBL655216)	Concentration that causes 50% inhibition of mammalian epididymal beta-galactosidase was determined in rat epididymis
50036287	8	ChEMBL_34402 (CHEMBL649272)	Inhibition of mammalian alpha-glucosidase (lysosomal) was determined in bovine liver
50036287	28	ChEMBL_30404 (CHEMBL641727)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi I) was determined in rat liver
50036287	12	ChEMBL_34407 (CHEMBL647805)	Concentration that causes 50% inhibition of mammalian alpha-glucosidase (isomaltase) was determined in rat intestine
50036287	21	ChEMBL_30403 (CHEMBL641726)	Concentration that causes 50% inhibition of mammalian alpha-mannosidase (Golgi II) was determined in rat liver
50036287	27	ChEMBL_37310 (CHEMBL651896)	Concentration that causes 50% inhibition of mammalian lysosomal beta-galactosidase was determined in rat liver
50036287	26	ChEMBL_34569 (CHEMBL649333)	Tested for competitive inhibition of endoplasmic reticulum alpha-glucosidase II.
50005518	1	ChEMBL_159307 (CHEMBL769360)	In vitro inhibitory activity against HIV proteinase
50005522	2	ChEMBL_140105 (CHEMBL748286)	Inhibition of muscarinic (M2) receptor isolated from rat atria
50005522	1	ChEMBL_138247 (CHEMBL745497)	Inhibition of rat submandibular muscarinic (M3) receptor isolated from tissue homogenates
50005523	1	ChEMBL_49715 (CHEMBL661792)	In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]BH-CCK-8 as radioligand
50005523	2	ChEMBL_47965 (CHEMBL653979)	In vitro affinity to the cholecystokinin type B receptor in guinea pig cortex assayed using [125I]BH-CCK-8 as radioligand
50036288	1	ChEMBL_71527 (CHEMBL682564)	Tested for the 50% inhibition level against [125I]- gastrin binding in AR42J cells
50005528	2	ChEMBL_208321 (CHEMBL812839)	Binding affinity values determined by clotting inhibition assays
50036290	2	ChEMBL_202882 (CHEMBL810000)	Inhibition of type 2 steroid-5-alpha-reductase
50036290	1	ChEMBL_205213 (CHEMBL816487)	Inhibition of type 1 steroid-5-alpha-reductase
50036291	3	ChEMBL_49340 (CHEMBL872475)	Binding affinity was determined against cocaine receptor by measuring the ability of compound to displace bound [3H]-3 from rat caudate-putamen tissue
50036291	2	ChEMBL_62176 (CHEMBL672115)	Tested for its ability to inhibit high affinity uptake of [3H]dopamine into rat caudate-putamen tissue
50036291	1	ChEMBL_49339 (CHEMBL660855)	Binding affinity was determined against cocaine binding site by measuring the ability of compound to displace bound [3H]dopamine from rat caudate-putamen tissue
50005533	2	ChEMBL_158934 (CHEMBL767822)	Tested for inhibition against Prostaglandin G/H synthase 1
50036292	2	ChEMBL_89357 (CHEMBL699687)	Tested for inhibition of mouse inducible nitric oxide synthase
50036293	1	ChEMBL_212378 (CHEMBL878759)	In vitro binding affinity by measuring the inhibition of bovine trypsin
50002940	1	ChEBML_70532	Compound was tested for the inhibitory effect against Gamma-amino-N-butyrate transaminase from bacteria
50002945	1	ChEBML_80656	Compound was tested in vitro for its ability to inhibit rat liver HMG-CoA reductase
50002948	1	ChEBML_138367	Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibited by application of atropine
50036293	2	ChEMBL_208319 (CHEMBL812837)	In vitro binding affinity by measuring the inhibition of human thrombin
50005537	3	ChEMBL_145805 (CHEMBL756072)	Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69593 displacement.
50005537	1	ChEMBL_146871 (CHEMBL749999)	Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p-Cl-Phe4, D-Pen5]-enkephalin displacement.
50005537	2	ChEMBL_136090 (CHEMBL745613)	Binding affinity at mu opioid receptor in guinea pig brain by [3H]DAMGO displacement.
50002949	1	ChEMBL_164143 (CHEMBL771467)	Compound was tested for activation of RNase L by measuring concentration required for 50% inhibition of protein synthesis in mouse L cell extracts
50002949	2	ChEBML_164143	Compound was tested for activation of RNase L by measuring concentration required for 50% inhibition of protein synthesis in mouse L cell extracts
50002954	1	ChEBML_59140	Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate
50005549	8	ChEMBL_140463 (CHEMBL884513)	Compound was evaluated for in vitro inhibition of [3H]-GABA release at NMDA receptor.
50005549	5	ChEMBL_140469 (CHEMBL747060)	Compound was evaluated for in vitro inhibition of [3H]L-689,560 at NMDA receptor.
50005550	2	ChEMBL_36635 (CHEMBL652346)	In vitro binding affinity for angiotensin II AT1 receptor in rabbit aorta
50005552	2	ChEMBL_221140 (CHEMBL841829)	Binding affinity against p-hydroxybenzoate hydroxylase (PHBH) from Pseudomonas fluorescence competing with NADPH
50005554	7	ChEMBL_138227 (CHEMBL744918)	In vitro ability to contract isolated guinea pig ileum was used to estimate M2/M3 agonist effect
50005554	5	ChEMBL_138229 (CHEMBL745481)	In vitro ability to contract isolated guinea pig ileum was used to estimate M3 agonist effect
50005554	6	ChEMBL_139852 (CHEMBL745750)	M1 agonist activity estimated by rat superior cervical ganglion depolarization
50005554	3	ChEMBL_139963 (CHEMBL749018)	In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepine binding on rat brain homogenate.
50005554	4	ChEMBL_139979 (CHEMBL751165)	M2 agonist activity estimated by depression of isolated guinea pig left atrium
50036295	2	ChEMBL_37642 (CHEMBL650286)	Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor
50002963	1	ChEBML_223558	Inhibition of human placental aromatase
50002963	2	ChEMBL_223558 (CHEMBL845864)	Inhibition of human placental aromatase
50002967	3	ChEBML_201644	Compound was tested in vitro for inhibition of Serotonin transporter uptake at serotonin uptake site
50002967	4	ChEBML_61997	In vivo inhibition of DA uptake at dopamine uptake site
50002967	5	ChEBML_140758	In vitro inhibition of NE uptake at NE uptake site
50042204	1	ChEMBL_201132 (CHEMBL805753)	The compound was tested for affinity towards sigma-3 receptor
50005563	4	ChEMBL_53626 (CHEMBL666655)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equations 11 and 12
50002972	1	ChEBML_216453	Compound was tested for inhibition against alpha-chymotrypsin using N-acetyl tyrosine p-nitrophenyl ester
50005563	3	ChEMBL_54267 (CHEMBL669263)	Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH
50005563	5	ChEMBL_53627 (CHEMBL666656)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with chicken dihydrofolate reductase using equation 4
50005563	9	ChEMBL_53622 (CHEMBL663691)	Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH
50005563	7	ChEMBL_53624 (CHEMBL666653)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 16
50002986	1	ChEBML_213091	In vitro inhibition of thromboxane synthase from human platelets.
50005563	19	ChEMBL_54271 (CHEMBL669266)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equations 11 and 12
50002987	2	ChEBML_58225	Compound was evaluated for binding activity against [3H]haloperidol as radioligand for Dopamine receptor D2
50005563	13	ChEMBL_54277 (CHEMBL669870)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equations 15 and 16
50005563	18	ChEMBL_54272 (CHEMBL669267)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 11
50005563	17	ChEMBL_54273 (CHEMBL669268)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 4
50002987	9	ChEMBL_33690 (CHEMBL647161)	Compound was evaluated for binding activity against [3H]-WB- 4101 as radioligand for alpha-1 adrenergic receptor
50005563	14	ChEMBL_53621 (CHEMBL663690)	Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH
50005563	11	ChEMBL_53623 (CHEMBL666652)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 11
50005563	16	ChEMBL_54275 (CHEMBL669270)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 11
50005563	10	ChEMBL_54266 (CHEMBL669262)	Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH
50005563	20	ChEMBL_54270 (CHEMBL669265)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 4
50005563	2	ChEMBL_54268 (CHEMBL669264)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 11
50002990	2	ChEMBL_210132 (CHEMBL879210)	Binding affinity against thymidylate synthase
50002999	3	ChEBML_54453	The compound was evaluated in vitro for inhibition of purified L1210 dihydrofolate reductase
50005563	15	ChEMBL_54274 (CHEMBL669269)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equations 15 and 16
50005563	1	ChEMBL_53628 (CHEMBL666657)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with chicken dihydrofolate reductase using equations 15 and 16
50005563	8	ChEMBL_53625 (CHEMBL666654)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 4
50003004	2	ChEMBL_105116 (CHEMBL715959)	Competitive inhibitory activity against M-2 Methionine adenosyltransferase II
50003004	1	ChEBML_105117	Competitive inhibitory activity against Methionine adenosyltransferase II
50005563	6	ChEMBL_54269 (CHEMBL856035)	Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with human dihydrofolate reductase using equation 16
50005563	12	ChEMBL_54276 (CHEMBL669869)	Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with human dihydrofolate reductase using equation 4
50005567	2	ChEMBL_61343 (CHEMBL675959)	Tested for the inhibitory activity against D2H (high-affinity states) receptor in infected HEK 293 cells.
50005567	4	ChEMBL_61307 (CHEMBL670083)	Tested for the inhibitory activity against Dopamine D2 receptor in infected Sf9 cells
50036296	1	ChEMBL_59903 (CHEMBL671809)	In vitro inhibition of forskolin-stimulated cAMP accumulation in GH4C1 cells transfected with the human Dopamine D2 receptor
50036296	2	ChEMBL_58689 (CHEMBL672655)	Binding affinity towards Dopamine D2 receptor from rat striatal membranes, using [3H]- spiperone as radioligand
50036297	2	ChEMBL_145938 (CHEMBL871963)	Tested for the binding affinity against the Kappa opioid receptor in guinea pig brain using [3H]U-69593
50036297	1	ChEMBL_146997 (CHEMBL753818)	Tested for the binding affinity against the Delta opioid receptor in guinea pig brain using [3H]DPDPE
50036297	4	ChEMBL_138727 (CHEMBL747749)	Tested for the binding affinity against the Mu opioid receptor in guinea pig brain using [3H]-DAMGO
50003031	1	ChEBML_70045	Compound was evaluated for the inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y
50036298	1	ChEMBL_29165 (CHEMBL637896)	Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.
50036298	4	ChEMBL_29163 (CHEMBL637894)	Binding affinity for adenosine A1 receptor in rat brain membrane
50003036	2	ChEMBL_28158 (CHEMBL644113)	Compound was tested for the concentration required for reversible inhibition of human acetylcholinesterase. 
50003036	3	ChEMBL_28157 (CHEMBL644112)	Compound was tested for the concentration required for reversible inhibition of human acetylcholinesterase. 
50005576	3	ChEMBL_58524 (CHEMBL672018)	Binding affinity towards dopamine receptor D1 using [3H]SCH-23390 was determined in rat striatal membranes
50003037	1	ChEBML_44012	Compound was tested for its inhibitory activity against carnitine palmitoyl transferase-A (CPT-A)
50003045	1	ChEBML_3907	Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells.
50005576	1	ChEMBL_61342 (CHEMBL879549)	Binding affinity towards dopamine (D1) receptor using [3H]spiperone was determined in rat striatal membranes
50021092	1	ChEMBL_449369 (CHEMBL899636)	Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay
50005576	2	ChEMBL_58525 (CHEMBL879679)	Binding affinity of compound towards dopamine (D1) receptor using [3H]SCH-23390 was determined in rat striatal membranes
50005582	3	ChEMBL_221918 (CHEMBL842483)	Inhibitory concentration of compound against mu opioid receptor in guinea pig ileum assay
50005582	1	ChEMBL_138745 (CHEMBL747918)	Displacement of [3H]DAMGO from mu opioid receptor of guinea pig brain membrane
50005582	5	ChEMBL_146330 (CHEMBL757538)	Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE
50005582	2	ChEMBL_145894 (CHEMBL873615)	Inhibitory concentration against delta opioid receptor in mouse vas deferens assay
50005582	4	ChEMBL_221929 (CHEMBL872811)	Inhibitory concentration of compound against mu opioid receptor in guinea pig ileum assay
50005583	4	ChEMBL_138757 (CHEMBL747843)	Agonist activity was assessed in an guinea pig ileum (GPI) smooth muscle bioassay
50005583	3	ChEMBL_138740 (CHEMBL747762)	Binding affinity against mu opioid receptor using [3H]DAMGO in guinea pig ileum
50005583	1	ChEMBL_136086 (CHEMBL745004)	Agonist activity was assessed in an guinea pig ileum (GPI) smooth muscle bioassay
50005583	5	ChEMBL_145760 (CHEMBL752778)	Agonist activity was assessed in mouse vas deferens (MVD) smooth muscle bioassay
50005583	2	ChEMBL_146323 (CHEMBL757532)	Binding affinity for delta opioid receptor using [3H]DPDPE from mouse vas deferens
50005307	2	ChEMBL_36631 (CHEMBL652870)	Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rabbit aorta AT1 receptor preparation
50005307	3	ChEMBL_36634 (CHEMBL652345)	Tested for in vitro binding affinity against angiotensin I (AT1) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rabbit aorta AT1 receptor preparation
50005308	1	ChEMBL_160433 (CHEMBL763603)	Binding affinity with protein kinase C (PK-C) alpha bound to labeled [20-3H]-PDBU at a conc of 30 ug/mL
50005309	1	ChEMBL_146868 (CHEMBL752611)	Binding affinity for delta opioid receptor in guinea pig brain membranes, using 2 nM [3H]DPDPE as radioligand
50005309	4	ChEMBL_146075 (CHEMBL750281)	Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane using [3H]U-69593 as radioligand
50005309	2	ChEMBL_136088 (CHEMBL745611)	Binding affinity for mu opioid receptor in guinea pig brain membranes; using 2 nM [3H]DAMGO as radioligand
50005309	7	ChEMBL_146869 (CHEMBL749997)	Binding affinity for delta opioid receptor in guinea pig brain membranes; using 2 nM [3H]DPDPE as radioligand
50005309	3	ChEMBL_221916 (CHEMBL842481)	Binding affinity for mu opioid receptor in guinea pig brain membranes, using 2 nM [3H]-DAMGO as radioligand
50005309	8	ChEMBL_145802 (CHEMBL756069)	Binding affinity kappa opioid receptor in guinea pig brain membranes, using 1 nM [3H]U-69593 as radioligand
50005309	6	ChEMBL_145803 (CHEMBL756070)	Binding affinity kappa opioid receptor in guinea pig brain membranes; using 1 nM [3H]U-69593 as radioligand
50005309	5	ChEMBL_146076 (CHEMBL750282)	Tested for competitive covalent binding of compound against k opioid receptor in guinea pig brain membrane; using [3H]U-69593 as radioligand
50005310	1	ChEMBL_52395 (CHEMBL661351)	Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin
50036300	1	ChEMBL_63990 (CHEMBL673100)	In vitro inhibition of human neutrophil elastase
50006042	1	ChEMBL_65824 (CHEMBL682958)	Binding affinity towards ET1 receptor was determined in A10 cells
50006042	3	ChEMBL_65827 (CHEMBL682960)	Antagonism of ET-1 induced increase in intracellular Ca+2 in vsm-A10 cells
50004915	1	ChEMBL_143060 (CHEMBL750927)	Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)
50004915	2	ChEMBL_143033 (CHEMBL751905)	Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)
50036304	1	ChEMBL_30836 (CHEMBL645399)	Inhibition constant against mammalian liver alcohol dehydrogenase (ADH)
50036304	4	ChEMBL_30835 (CHEMBL645234)	Apparent inhibition constant against mammalian liver alcohol dehydrogenase (ADH)
50006050	10	ChEMBL_196496 (CHEMBL798310)	Binding affinity against retinoic Acid X alpha receptors co-transfected into CV-1 cells
50006050	2	ChEMBL_196636 (CHEMBL798189)	Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	12	ChEMBL_196666 (CHEMBL877733)	Binding affinity against retinoic Acid gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	7	ChEMBL_196661 (CHEMBL799696)	Binding affinity against retinoic Acid beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	3	ChEMBL_196665 (CHEMBL803398)	Binding affinity against retinoic Acid gamma receptors co-transfected into CV-1 cells
50006050	5	ChEMBL_195196 (CHEMBL798386)	Binding affinity against retinoic Acid alpha receptors co-transfected into CV-1 cells
50006050	9	ChEMBL_195316 (CHEMBL799871)	Binding affinity against retinoic Acid alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	4	ChEMBL_196500 (CHEMBL798314)	Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	1	ChEMBL_196654 (CHEMBL800767)	Binding affinity against retinoic Acid X gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay
50006050	11	ChEMBL_196632 (CHEMBL798186)	Binding affinity against retinoic Acid X beta receptors co-transfected into CV-1 cells
50006050	6	ChEMBL_196649 (CHEMBL800762)	Binding affinity against retinoic Acid X gamma receptors co-transfected into CV-1 cells
50006050	8	ChEMBL_196660 (CHEMBL799695)	Binding affinity against retinoic Acid beta receptors co-transfected into CV-1 cells
50005732	1	ChEMBL_458 (CHEMBL615688)	Ability of peptide to inhibit binding of 10 pM [125I]gastrin releasing peptide to S-3T3 cell membrane.
50005732	2	ChEMBL_461 (CHEMBL615691)	The ability of the peptide to inhibit the binding of 50 pM [125I]gastrin releasing peptide to intact S-3T3 cells
50005735	2	ChEMBL_155377 (CHEMBL760830)	Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 uM
50005735	11	ChEMBL_155380 (CHEMBL760833)	Inhibition of cGMP hydrolysis by PDE 5A
50005735	4	ChEMBL_155378 (CHEMBL760831)	Inhibition of phosphodiesterase 5A
50003049	1	ChEBML_217550	Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA)
50036306	5	ChEMBL_44988 (CHEMBL885054)	In vitro inhibition of bovine cathepsin D.
50036306	4	ChEMBL_196107 (CHEMBL804790)	In vitro inhibition of human renin.
50036306	1	ChEMBL_195938 (CHEMBL801664)	In vitro inhibition of human renin.
50036306	2	ChEMBL_44978 (CHEMBL660139)	In vitro inhibition of bovine cathepsin D.
50036306	6	ChEMBL_153992 (CHEMBL762343)	In vitro inhibition of porcine pepsin.
50036306	3	ChEMBL_153985 (CHEMBL762336)	In vitro inhibition of porcine pepsin.
50036307	1	ChEMBL_144598 (CHEMBL747373)	In vitro inhibition of Neutral endopeptidase (NEP) enzyme
50005742	2	ChEMBL_156340 (CHEMBL759983)	Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)
50005742	1	ChEMBL_156191 (CHEMBL761442)	Compound was tested for in vitro activity against S-phospholipase A2 (s-PLA2) isolated from human platelets
50005745	7	ChEMBL_215178 (CHEMBL821351)	Displacement of [3H]AVP from binding to arginine vasopressin 1a (V1a) column of rat liver
50003061	2	ChEMBL_59269 (CHEMBL872495)	Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 6.6
50005745	6	ChEMBL_215179 (CHEMBL823111)	Displacement of [3H]-AVP from binding to Vasopressin receptor V2 of rat kidney
50003061	3	ChEBML_59102	Inhibition of Dopamine beta hydroxylase.
50005745	3	ChEMBL_149171 (CHEMBL760342)	Displacement of [3H]OT from binding to oxytocin receptor of rat uterus
50036308	5	ChEMBL_145084 (CHEMBL753309)	Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand
50036308	1	ChEMBL_222067 (CHEMBL843459)	Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand
50036308	2	ChEMBL_145989 (CHEMBL750583)	Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand
50036308	4	ChEMBL_145064 (CHEMBL753995)	Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand
50036310	1	ChEMBL_49710 (CHEMBL661162)	In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas
50036310	2	ChEMBL_49711 (CHEMBL661163)	In vitro ability to inhibit [3H]propionyl-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas
50036310	3	ChEMBL_47953 (CHEMBL656242)	In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex
50036311	3	ChEMBL_29150 (CHEMBL639430)	Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined
50036311	4	ChEMBL_30470 (CHEMBL643131)	Binding affinity for rat A3-adenosine receptor expressed in chinese hamster ovarian cells (assayed by the displacement of specific [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-5''-N-methyluronamide)
50036311	2	ChEMBL_30471 (CHEMBL643132)	Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-5'-N-methyluronamide
50003070	1	ChEBML_216450	In vitro binding affinity towards alpha-chymotrypsin from bovine pancreas.
50003081	1	ChEBML_28843	Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes
50003081	2	ChEBML_27755	Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation in [3H]adenine-labeled guinea pig cerebral cortical slices.
50003087	2	ChEMBL_50805 (CHEMBL659773)	Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha
50003087	1	ChEBML_50805	Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha
50003097	1	ChEBML_29624	Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.
50003106	1	ChEBML_28519	Binding affinity against adenosine A1 receptor in rat brain membrane preparations using N6-[3H]cyclohexyladenosine as a radioligand
50005756	1	ChEMBL_158047 (CHEMBL767017)	In vitro inhibition of recombinant HIV-2 protease expressed in Escherichia coli strain X90
50005757	2	ChEMBL_102113 (CHEMBL712038)	Activity against human gelatinase (MMP-9).
50003118	3	ChEBML_101358	Ability to inhibit Lipoxygenase in vitro was determined
50003118	4	ChEMBL_101358 (CHEMBL712615)	Ability to inhibit Lipoxygenase in vitro was determined
50003118	1	ChEMBL_101362 (CHEMBL712618)	Ability to inhibit the rat Lipoxygenase in vitro was determined
50003118	5	ChEMBL_101357 (CHEMBL712614)	Ability to inhibit Lipoxygenase in vitro was determined
50003128	34	ChEMBL_59131 (CHEMBL669346)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH);Range is between (230-606).
50003128	8	ChEMBL_59106 (CHEMBL667899)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.0-1.9)
50003128	11	ChEMBL_59103 (CHEMBL667896)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.060-0.0877).
50003128	25	ChEMBL_59115 (CHEMBL667908)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (23-41).
50003128	33	ChEMBL_59119 (CHEMBL884441)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (37-70)
50003128	5	ChEMBL_59127 (CHEMBL669342)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (77-204)
50003128	23	ChEMBL_59134 (CHEMBL667560)	Inhibitory Concentration against bovine v (DBH); Range is between (20-46).
50003128	3	ChEMBL_59125 (CHEMBL669340)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (64-133)
50003128	18	ChEMBL_59111 (CHEMBL667904)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (10-14).
50003128	29	ChEMBL_59117 (CHEMBL667910)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (27-48).
50003128	2	ChEMBL_59126 (CHEMBL669341)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (7-38).
50003128	22	ChEMBL_59136 (CHEMBL667710)	Percent inhibition against bovine Dopamine beta hydroxylase at 10E-4 M concentration of the compound; Range is between (4.2-5.3).
50003128	21	ChEMBL_59112 (CHEMBL667905)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (102-213).
50003128	6	ChEMBL_59105 (CHEMBL667898)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.9-2.2)
50003128	19	ChEMBL_59110 (CHEMBL667903)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.9-3.0)
50003128	4	ChEMBL_59128 (CHEMBL669343)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (80-135)
50003128	26	ChEMBL_59135 (CHEMBL667709)	Percent inhibition against bovine Dopamine beta hydroxylase at 10E-4 M concentration of the compound; Range is between (1.8-2.6).
50003128	24	ChEMBL_59114 (CHEMBL667907)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (21-37).
50003128	16	ChEMBL_59120 (CHEMBL669558)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (38-58).
50003128	17	ChEMBL_59108 (CHEMBL667901)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.3-4.6)
50003128	7	ChEMBL_59121 (CHEMBL669559)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (4.9-6.5)
50003128	30	ChEMBL_59133 (CHEMBL669347)	Inhibitory Concentration against bovine dopamine beta-hydroxylase (DBH); Range is between (410-498).
50003128	13	ChEMBL_59124 (CHEMBL669339)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (63-156).
50003128	9	ChEMBL_59122 (CHEMBL669337)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (40-56)
50003128	32	ChEMBL_59118 (CHEMBL667911)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (36-102)
50003128	14	ChEMBL_59109 (CHEMBL667902)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.7-2.4)
50003128	28	ChEMBL_59116 (CHEMBL667909)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (25-81).
50003128	27	ChEMBL_59132 (CHEMBL884442)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH);Range is between (71-386).
50003128	15	ChEMBL_59107 (CHEMBL667900)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.1-3.8).
50003128	10	ChEMBL_59123 (CHEMBL669338)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (45-62).
50003128	20	ChEMBL_59113 (CHEMBL667906)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (118-215).
50003128	1	ChEMBL_59129 (CHEMBL669344)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between(10-14)
50003128	31	ChEMBL_59130 (CHEMBL669345)	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (56-72).
50003128	12	ChEBML_59116	Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (25-81).
50005757	1	ChEMBL_101937 (CHEMBL710566)	Activity against human stromelysin (MMP-3).
50005757	3	ChEMBL_101733 (CHEMBL709089)	Activity against human collagenase (MMP-1).
50005763	1	ChEMBL_47970 (CHEMBL657473)	The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand
50005763	2	ChEMBL_50198 (CHEMBL663491)	The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.
50036314	2	ChEMBL_71815 (CHEMBL683646)	Inhibitory activity against bovine type-1 geranylgeranyl transferase.
50036314	1	ChEMBL_70279 (CHEMBL679598)	Inhibitory activity against Ras Farnesyl Protein transferase from bovine brain
50005769	1	ChEMBL_70314 (CHEMBL678019)	Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes
50005774	1	ChEMBL_28192 (CHEMBL637685)	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits
50003142	3	ChEBML_218507	Ki value was evaluated for the inhibition of human leukocyte elastase
50003142	1	ChEMBL_96636 (CHEMBL705708)	Ki value was evaluated for the inhibition of human leukocyte elastase
50003143	1	ChEBML_63792	Inhibitory activity was evaluated against human leukocyte elastase
50003144	3	ChEMBL_216621 (CHEMBL819193)	Competitive inhibition of alpha-chymotrypsin
50003159	1	ChEBML_195742	Compound was evaluated for the ability to inhibit human plasma renin.
50005779	13	ChEMBL_65107 (CHEMBL674006)	Inhibition of EGF-stimulated DNA synthesis in ER 22 (EGF-receptor expressing) cells
50005779	11	ChEMBL_65110 (CHEMBL674009)	Inhibition of EGF-stimulated DNA synthesis in ER22 cells, by measuring [3H]Me-dT incorporation into ER 22 cells
50005779	10	ChEMBL_66591 (CHEMBL680022)	Inhibitory potency against protein tyrosine kinase activity associated with EGFR was evaluated using ER 22 cell membrane
50005779	12	ChEMBL_66724 (CHEMBL674647)	Inhibition of EGFR(epidermal growth factor receptor) autophosphorylation in ER22 cell membranes
50005779	14	ChEMBL_65106 (CHEMBL674005)	Inhibition of EGF-stimulated DNA synthesis in ER 22 (EGF-receptor expressing) cells
50036316	1	ChEMBL_90092 (CHEMBL702009)	Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.
50005782	3	ChEMBL_5002 (CHEMBL621149)	Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells
50005782	2	ChEMBL_66568 (CHEMBL679549)	Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)
50005782	5	ChEMBL_29499 (CHEMBL642000)	Competitive inhibition of ATP binding to EGF-R
50005421	2	ChEMBL_145694 (CHEMBL753902)	Inhibitory concentration was evaluated against kappa opioid receptor by displacement of tritiated U-69593 from rat brain membranes
50005421	6	ChEMBL_138885 (CHEMBL747877)	Inhibitory concentration was evaluated against mu opioid receptor by the displacement of tritiated DAMGO from rat brain membranes
50005421	3	ChEMBL_146772 (CHEMBL755215)	Inhibitory concentration was evaluated against delta opioid receptor by the displacement of tritiated DSLET from rat brain membranes
50005421	4	ChEMBL_146647 (CHEMBL754931)	Displacement of [3H]DSLET from rat brain membrane delta opioid receptor
50005421	5	ChEMBL_138879 (CHEMBL747871)	Affinity for mu opioid receptor was measured by displacement of tritiated DAMGO from rat brain membranes
50005421	1	ChEMBL_177587 (CHEMBL783508)	Inhibitory concentration was evaluated against delta opioid receptor by the displacement of tritiated DSLET from rat brain membranes
50003176	11	ChEMBL_31773 (CHEMBL884119)	Inhibitory activity against human placental aldose reductase (HPAR)
50005794	4	ChEMBL_156364 (CHEMBL761694)	Inhibitory activity rat polymorphonuclear leukocyte phospholipase-A2 (PMN-PLA2)
50036318	2	ChEMBL_157567 (CHEMBL763318)	Compound was evaluated for the inhibitory activity against HIV-1 protease
50036318	3	ChEMBL_44887 (CHEMBL656582)	Compound was evaluated for the inhibitory activity against Human Carbonic anhydrase II (HCA II)
50036318	5	ChEMBL_159149 (CHEMBL878776)	Effective concentration of compound for inhibition of HIV 1 protease was determined
50003176	9	ChEBML_32096	Inhibitory activity against rat lens aldose reductase (RLAR).
50003176	5	ChEMBL_31774 (CHEMBL643100)	Inhibitory activity against human placental aldose reductase (HPAR).
50036318	7	ChEMBL_159300 (CHEMBL769406)	Inhibition of HIV-1 protease
50036318	6	ChEMBL_45060 (CHEMBL872425)	Compound was evaluated for the affinity towards Human Carbonic anhydrase II (HCA II)
50005796	5	ChEMBL_144449 (CHEMBL755096)	In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]HACBOGly binding in mouse kidney
50003180	2	ChEBML_210097	Inhibitory activity against thromboxane A2 synthetase
50003180	4	ChEBML_196	Inhibition of rat adrenal 11-beta-hydroxylase
50005796	4	ChEMBL_34763 (CHEMBL643788)	Inhibitory potency against angiotensin converting enzyme by displacement of [3H]trandolaprilate binding in mouse lung
50003180	5	ChEMBL_152780 (CHEMBL765581)	Inhibition of porcine aorta prostacyclin PGI-2 synthase by bioassay method
50003180	1	ChEBML_152780	Inhibition of porcine aorta prostacyclin PGI-2 synthase by bioassay method
50005796	3	ChEMBL_144450 (CHEMBL755097)	In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]HACBOGly binding in mouse kidney
50005796	2	ChEMBL_36915 (CHEMBL647116)	Inhibitory potency against angiotensin converting enzyme by displacement of [3H]trandolaprilate binding in mouse lung
50005796	1	ChEMBL_144448 (CHEMBL755095)	In vivo inhibitory potency against Neutral Endopeptidase by measuring the displacement of [3H]HACBOGly binding in mouse kidney
50005798	2	ChEMBL_162033 (CHEMBL766673)	Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate
50005798	3	ChEMBL_162032 (CHEMBL770312)	Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate
50003182	6	ChEMBL_31635 (CHEMBL649696)	Inhibitory activity against bovine lens aldose reductase
50003187	1	ChEBML_49944	Compound was tested for Inhibition of Chymotrypsinogen
50036319	2	ChEMBL_146496 (CHEMBL754606)	Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site
50036319	1	ChEMBL_138874 (CHEMBL747866)	Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site
50036319	3	ChEMBL_138758 (CHEMBL747844)	In vitro inhibition of electrically evoked contractions of the guinea pig ileum (GPI)
50003188	1	ChEBML_68610	Inhibitory effect was measured for [3H]GABA-uptake from rat synaptosomal membrane
50005803	4	ChEMBL_4073 (CHEMBL620875)	In vitro inhibition of human 5-Lipoxygenase.
50005805	4	ChEMBL_209119 (CHEMBL812568)	Inhibitory concentration for TS in Lactobacillus casei
50005805	6	ChEMBL_54129 (CHEMBL668084)	Inhibitory concentration for DHFR in recombinant human
50005805	9	ChEMBL_209623 (CHEMBL816739)	Inhibitory concentration for TS in human
50005805	1	ChEMBL_53004 (CHEMBL664434)	Inhibitory concentration for DHFR in Pneumocystis carinii
50005805	3	ChEMBL_53475 (CHEMBL665600)	Inhibitory concentration for DHFR in Toxoplasma gondii
50005805	7	ChEMBL_55130 (CHEMBL665456)	Inhibitory concentration for DHFR in rat liver
50005809	3	ChEMBL_201748 (CHEMBL809882)	Tested for binding affinity against sigma receptors
50036320	3	ChEMBL_62019 (CHEMBL671786)	Inhibition of [3H]WIN-35428 binding to dopamine (DA) transporter
50036320	1	ChEMBL_142957 (CHEMBL750809)	Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter
50036320	2	ChEMBL_201656 (CHEMBL803030)	Inhibition of [3H]paroxetine binding to 5-hydroxytryptamine (5-HT) transporter
50005813	1	ChEMBL_28504 (CHEMBL645933)	In vitro potency was determined using Acyl coenzyme A:cholesterol acyltransferase in liver microsomes from rats
50005815	1	ChEMBL_63996 (CHEMBL673105)	Inhibition of Human Leukocyte Elastase (HLE)
50036321	2	ChEMBL_61853 (CHEMBL670040)	Inhibition of [125I]RTI-55 binding to dopamine transport sites in rat striatal membranes.
50036321	1	ChEMBL_201980 (CHEMBL809425)	Inhibition of [3H]paroxetine binding to serotonin transport sites in rat frontal cortex membranes.
50004923	3	ChEMBL_143027 (CHEMBL880850)	Binding affinity towards cloned neurokinin 1 receptor, based on the displacement of [125I]-labeled substance P
50004923	4	ChEMBL_143058 (CHEMBL750305)	Binding affinity to the NK2 receptor assayed by displacement of [125I]-Neurokinin A
50005818	1	ChEMBL_152998 (CHEMBL759482)	Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes
50005821	1	ChEMBL_50887 (CHEMBL664890)	Binding affinity for human placental microsome Cytochrome P450 19A1
50005821	2	ChEMBL_50714 (CHEMBL666793)	Inhibitory concentration was tested on Cytochrome P450 19A1 in human placental microsomes 20 (microg) of protein incubated for 20 min
50005821	4	ChEMBL_50889 (CHEMBL664892)	Binding affinity for human placental microsome aromatase Cytochrome P450 19A1
50005821	3	ChEMBL_50888 (CHEMBL664891)	Binding affinity for human placental microsome Cytochrome P450 19A1
50005823	1	ChEMBL_162229 (CHEMBL770293)	Binding affinity (Ki) towards Protein kinase C
50003201	3	ChEMBL_33716 (CHEMBL647539)	Ability to displace [3H]WB-4101 from rat brain alpha-1 adrenergic receptor
50005426	1	ChEMBL_40276 (CHEMBL653409)	Binding affinity towards bradykinin receptor B2 using [3H]bradykinin
50005338	1	ChEMBL_197423 (CHEMBL799812)	Ability to inhibit the HIV-1 reverse transcriptase in cord blood mononuclear cells.
50005338	2	ChEMBL_197422 (CHEMBL799811)	Ability to inhibit the HIV-1 reverse transcriptase in cord blood mononuclear cells.
50005343	2	ChEMBL_48114 (CHEMBL663101)	Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]BH-CCK-8 from human jurkat cells
50005343	3	ChEMBL_50049 (CHEMBL662418)	Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]BH-CCK-8 from rat pancreatic acini
50041221	2	ChEMBL_48240 (CHEMBL660309)	Displacement of CCK-8 from human Cholecystokinin type B receptor expressing CHO cell membranes 
50041221	3	ChEMBL_49895 (CHEMBL661737)	Displacement of CCK-8 from CHO cell membranes expressing human Cholecystokinin type A receptor
50005353	1	ChEMBL_63981 (CHEMBL677607)	In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)
50005356	2	ChEMBL_208010 (CHEMBL816090)	Inhibition of HSV-1 thymidine kinase, 1 uM [3H]thymidine and ATP as phosphate donor
50003209	1	ChEBML_59141	Compound was determined for the kinetic constant against Dopamine beta hydroxylase purified from beef adrenals, inhibitory constant (Ki)
50005357	4	ChEMBL_140196 (CHEMBL744913)	In vitro binding affinity towards Muscarinic acetylcholine receptor M2 was determined by measuring its ability to displace [3H]-AF-DX 384 from rat heart membranes
50005357	5	ChEMBL_138321 (CHEMBL748201)	In vitro binding affinity towards Muscarinic acetylcholine receptor M3 was determined by measuring its ability to displace [3H]-N-methyl- Scopolamine from guinea pig ileum
50005359	1	ChEMBL_4049 (CHEMBL621500)	In vitro 5-lipoxygenase inhibitory activity against A-23187-stimulated conversion of [14C]-AA to 5-HETE in guinea pig peritoneal polymorphonuclear leukocytes
50005359	2	ChEMBL_4050 (CHEMBL621501)	In vitro 5-lipoxygenase inhibitory activity against A-23187-stimulated conversion of [14C]AA to LTB4 in guinea pig peritoneal polymorphonuclear leukocytes
50003215	1	ChEBML_49275	In vitro ability to inhibit the transport of [3H]choline in to high affinity choline transport system HAChT
50003215	2	ChEBML_140147	Compound was tested in vitro for its ability to displace [3H]QNB from brain Muscarinic acetylcholine receptor by 50 %
50003223	1	ChEBML_210454	compound was tested for inhibitory activity against thromboxane synthetase,
50003223	2	ChEMBL_210454 (CHEMBL877971)	compound was tested for inhibitory activity against thromboxane synthetase,
50003227	1	ChEBML_159843	Inhibitory activity measured as apparent dissociation constant against Polyamine oxidase (PAO) from pig liver
50005361	1	ChEMBL_34930 (CHEMBL647675)	Inhibitory activity against rabbit Angiotensin I converting enzyme
50036326	3	ChEMBL_33347 (CHEMBL646115)	Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor
50036326	1	ChEMBL_33522 (CHEMBL648614)	Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor
50036326	7	ChEMBL_33603 (CHEMBL652811)	Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor
50036326	2	ChEMBL_33060 (CHEMBL647959)	Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor
50036326	6	ChEMBL_32428 (CHEMBL646090)	Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor
50036326	5	ChEMBL_34326 (CHEMBL648109)	Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor
50005238	2	ChEMBL_85848 (CHEMBL693575)	Binding affinity against Histamine H3 receptor
50005239	1	ChEMBL_28793 (CHEMBL641703)	In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase 1, rat liver microsomal assay
50005247	3	ChEMBL_144616 (CHEMBL750544)	The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate
50005247	4	ChEMBL_144615 (CHEMBL750543)	In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate
50005247	1	ChEMBL_144613 (CHEMBL750541)	The compound was tested for inhibition of Neutral endopeptidase by using GAAP as substrate
50005247	5	ChEMBL_144614 (CHEMBL750542)	The compound was tested in vitro for inhibition of Neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate
50005249	5	ChEMBL_138323 (CHEMBL748203)	In vitro binding affinity against guinea pig ileum using [3H]N-methylscopolamine
50003248	1	ChEMBL_54963 (CHEMBL666694)	Inhibition of rat liver DHFR assayed spectrophotometrically at 340 nM
50005249	4	ChEMBL_138130 (CHEMBL872660)	In vitro binding affinity against bovine striatal membrane using [3H]pirenzepine
50005249	3	ChEMBL_138322 (CHEMBL748202)	In vitro binding affinity against guinea pig ileum using [3H]N-methylscopolamine
50036327	1	ChEMBL_31071 (CHEMBL640431)	Binding affinity against adenosine A2A receptor from rat brain.
50036327	3	ChEMBL_29762 (CHEMBL875506)	Binding affinity against adenosine A1 receptor from rat brain.
50036327	2	ChEMBL_30616 (CHEMBL642023)	Binding affinity against adenosine A3 receptor from rat brain.
50003280	1	ChEBML_80658	Inhibition of HMG-CoA reductase from rat liver
50003300	1	ChEBML_71300	Binding affinity towards rat liver glyoxalase II
50003310	3	ChEMBL_201213 (CHEMBL804009)	Intrinsic affinity towards serotonin receptor from rat frontal cortex by displacement of [3H]spiperone.
50041222	10	ChEMBL_149198 (CHEMBL762760)	In vitro anti-oxytocic activity with out Mg2+.
50041222	1	ChEMBL_149195 (CHEMBL882485)	In vitro activity was determined for the anti-oxytocic activity with 0.5 mM Mg2+.
50041222	11	ChEMBL_149191 (CHEMBL762754)	Compound was evaluated for the oxytocic activity with out Mg2+.
50041222	15	ChEMBL_149200 (CHEMBL762762)	In vitro activity was determined for the anti-oxytocic activity with 0.5 mM Mg2+.
50041222	12	ChEMBL_149196 (CHEMBL762758)	In vitro antioxycic activity with out Mg2+.
50041222	3	ChEMBL_215023 (CHEMBL856234)	Antidiuretic activity at V2 receptor
50041222	2	ChEMBL_149199 (CHEMBL762761)	In vitro activity for the anti-oxytocic activity with out Mg2+.
50041222	7	ChEMBL_149194 (CHEMBL762757)	In vitro activity for the anti-oxytocic activity with out Mg2+.
50041222	14	ChEMBL_149193 (CHEMBL762756)	In vitro activity for the anti-oxytocic activity with out Mg2+
50036328	5	ChEMBL_197029 (CHEMBL803860)	compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase
50036328	1	ChEMBL_197028 (CHEMBL803859)	Compound was evaluated for the inhibitor constant against Escherichia coli S-adenosyl-L-methionine decarboxylase
50036328	6	ChEMBL_197037 (CHEMBL806276)	compound was evaluated for the inhibitory constant against human S-adenosyl-L-methionine decarboxylase
50005255	2	ChEMBL_54750 (CHEMBL667808)	Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei
50005255	3	ChEMBL_52967 (CHEMBL664175)	Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii
50005255	4	ChEMBL_53330 (CHEMBL664916)	Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii
50003342	3	ChEMBL_27375 (CHEMBL642521)	Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(com)
50003342	2	ChEMBL_27378 (CHEMBL642411)	Compound was evaluated for reversible inhibition of hydrolysis of acetylcholine by acetylcholinesterase and represented as KI(competitive)
50041223	12	ChEMBL_1014 (CHEMBL616217)	Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.
50041223	24	ChEMBL_2792 (CHEMBL617861)	Binding activity radioligand.
50041223	28	ChEMBL_3036 (CHEMBL620654)	Inhibition of [3H]-Q-ICS 205-930 binding to rat cortex homogenate 5-hydroxytryptamine 3 receptor
50041223	27	ChEMBL_3099 (CHEMBL620392)	Binding activity against 5-hydroxytryptamine 1A receptor from human brain cortex using [3H]8-OH-DPAT-HT as radioligand.
50041223	22	ChEMBL_2738 (CHEMBL617297)	Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.
50041223	1	ChEMBL_1076 (CHEMBL857065)	Binding activity radioligand.
50041223	29	ChEMBL_3098 (CHEMBL617837)	Binding activity radioligand.
50041223	25	ChEMBL_3035 (CHEMBL857076)	Binding activity against 5-hydroxytryptamine 2A receptor from rat cortex homogenates using [3H]DOB as radioligand.
50041223	26	ChEMBL_3037 (CHEMBL620655)	Binding activity radioligand.
50005260	1	ChEMBL_51595 (CHEMBL660984)	Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate
50005260	3	ChEMBL_51596 (CHEMBL660985)	Inhibition against coupled primase-DNA polymerase I assay
50005260	2	ChEMBL_81579 (CHEMBL689339)	Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase
50005260	4	ChEMBL_81580 (CHEMBL689340)	Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells
50004954	2	ChEMBL_141442 (CHEMBL750215)	Concentration inhibiting [125I]ChTX (charybdotoxin) binding to N-type potassium channel.
50004954	1	ChEMBL_141443 (CHEMBL750216)	Inhibition of outward potassium currents (IKn) in human T-lymphocyte N-type potassium channels.
50005269	1	ChEMBL_208948 (CHEMBL814567)	Inhibitory effect against Escherichia coli thymidylate synthase
50036329	1	ChEMBL_202043 (CHEMBL809516)	Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine
50036330	2	ChEMBL_202050 (CHEMBL809523)	Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand
50036330	3	ChEMBL_202051 (CHEMBL809524)	Binding affinity towards Sigma receptor type 2 in whole rat brain homogenates except cerebellum using radioligand ([3H]DTG) binding assay.
50036330	1	ChEMBL_202042 (CHEMBL809515)	Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.
50004955	2	ChEMBL_195662 (CHEMBL800046)	Inhibitory effect on HIV-1 RT activity using template primer,poly (rC)-oligo (dG)
50004955	1	ChEMBL_195661 (CHEMBL800045)	Inhibitory effect on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)
50003360	2	ChEBML_209955	Inhibitory activity against thymidylate synthase
50003360	5	ChEMBL_54448 (CHEMBL669302)	Inhibitory activity against dihydrofolate reductase
50036331	1	ChEMBL_211357 (CHEMBL815873)	In vitro inhibition of tubulin polymerization.
50005286	8	ChEMBL_177000 (CHEMBL779290)	In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices
50005286	1	ChEMBL_50688 (CHEMBL662434)	Inhibition of Human placental Cytochrome P450 19A1
50005286	7	ChEMBL_192300 (CHEMBL795453)	In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices
50005286	4	ChEMBL_177002 (CHEMBL779292)	In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices
50036332	3	ChEMBL_144456 (CHEMBL755103)	Inhibitory activity against Leu-enkeph of Neutral endopeptidase
50036332	4	ChEMBL_144457 (CHEMBL755104)	Inhibitory activity against big ET-1 of Neutral endopeptidase
50036332	2	ChEMBL_64355 (CHEMBL679843)	Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1
50036332	1	ChEMBL_210393 (CHEMBL814123)	Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)
50003380	1	ChEMBL_159709 (CHEMBL764185)	Inhibition of [3H]R5020 binding to rabbit uterine progesterone receptor
50005289	1	ChEMBL_158194 (CHEMBL767884)	Activity against adenosine diphosphate (ADP) induced platelet aggregation
50003401	1	ChEBML_33096	Displacement of [3H]prazosin from calf cerebral cortex alpha-1 adrenergic receptor
50004956	1	ChEMBL_195358 (CHEMBL802598)	Inhibitory activity against HIV-1 Reverse transcriptase
50003405	1	ChEBML_148384	Compound was tested for irreversible antagonist activity at Opioid receptor mu 1 by determining by MVD response
50003407	1	ChEBML_28518	Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]cyclohexyladenosine to rat cerebral cortical membranes
50003412	2	ChEBML_212947	Binding affinity to uridine kinase from L1210. was determined from the dixon plot
50005291	3	ChEMBL_55131 (CHEMBL875029)	Inhibition of rat liver Dihydrofolate reductase
50005291	2	ChEMBL_52836 (CHEMBL884360)	Inhibition of Pneumocystis carinii (pc) Dihydrofolate reductase
50005291	1	ChEMBL_53314 (CHEMBL665698)	Inhibition of Toxoplasma gondii (tc) Dihydrofolate reductase
50036333	1	ChEMBL_62869 (CHEMBL673581)	In vitro binding affinity against cloned mammalian Dopamine receptor D2 expressed in CHO cells using [3H]U-86170 as radioligand
50036333	5	ChEMBL_62902 (CHEMBL676141)	In vitro binding affinity against cloned mammalian Dopamine receptor D3 expressed in CHO cells by, using [3H]-spiperone as radioligand
50036333	6	ChEMBL_2010 (CHEMBL617305)	In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor alpha expressed in CHO cells, by using [3H]5-HT as radioligand
50036333	2	ChEMBL_2036 (CHEMBL616870)	In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor beta expressed in CHO cells, by using [3H]5-HT as radioligand
50036333	4	ChEMBL_1468 (CHEMBL616591)	In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.
50005014	2	ChEMBL_52399 (CHEMBL665903)	Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 1
50005014	12	ChEMBL_52265 (CHEMBL665218)	Inhibition of binding to chick skin Cytoplasmic retinoic acid binding protein
50005014	7	ChEMBL_196784 (CHEMBL799728)	Inhibition of binding to murine Retinoid X receptor RXR alpha
50005014	5	ChEMBL_195185 (CHEMBL802718)	Inhibition of murine Retinoic acid receptor RAR alpha
50005014	8	ChEMBL_196765 (CHEMBL797917)	Binding affinity for human Retinoid X receptor RXR alpha
50005014	11	ChEMBL_52402 (CHEMBL665905)	Binding affinity for mouse Cytoplasmic retinoic acid binding protein type 2
50005019	14	ChEMBL_101864 (CHEMBL710107)	Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase
50005019	2	ChEMBL_88829 (CHEMBL698884)	Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	10	ChEMBL_32391 (CHEMBL647923)	Inhibition of golgi Alpha-mannosidase II in rat liver
50005019	6	ChEMBL_206287 (CHEMBL808824)	Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	15	ChEMBL_208284 (CHEMBL813582)	Inhibition of Glycosidases (trehalase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50003416	1	ChEBML_85670	Compound was tested for in vitro inhibition of the binding of [125I](Nle11)-HG-13 to Histamine H2 receptor
50036338	1	ChEMBL_56496 (CHEMBL667331)	Inhibition of collagen-induced canine platelet aggregation in vitro (blood is pooled from more than 2 dogs).
50005023	1	ChEMBL_146529 (CHEMBL753841)	Compound was evaluated for binding affinity against Opioid receptor kappa 1 of guinea pig cerebellum using [3H]bremazocine as the radioligand using competition binding assays.
50005028	5	ChEMBL_50394 (CHEMBL662850)	Ability to inhibit the C17,20-lyase enzyme by 50% using 17-alpha-hydroxyprogesterone as substrate.
50005028	1	ChEMBL_204435 (CHEMBL811228)	Ability to inhibit the Steroid 17-alpha-hydroxylase/17,20 lyase enzyme by 50%.
50005028	2	ChEMBL_50553 (CHEMBL660331)	Inhibition of Cytochrome P450 19A1
50005028	3	ChEMBL_50554 (CHEMBL660332)	Inhibition of Cytochrome P450 19A1
50005029	2	ChEMBL_83920 (CHEMBL698451)	Dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays.
50005029	1	ChEMBL_52209 (CHEMBL664975)	Dissociation constant was determined against Cysteinyl leukotriene D4 receptor of guinea pig lung membranes using radioligand binding assays.
50005029	3	ChEMBL_83921 (CHEMBL698452)	dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays.
50005031	1	ChEMBL_90132 (CHEMBL700585)	Ability to inhibit [3H]AMPA binding to Ionotropic glutamate receptor AMPA
50005031	2	ChEMBL_90133 (CHEMBL701233)	Ability to inhibit [3H]CGS-19,755 binding to Ionotropic glutamate receptor AMPA
50005032	5	ChEMBL_92381 (CHEMBL701594)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Arg-pNA) for pancreatic kallikrein in vitro.
50005032	4	ChEMBL_92380 (CHEMBL701593)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro.
50036340	2	ChEMBL_46175 (CHEMBL660921)	Blockade of Na+ current in frog oocytes expressing human cardiac sodium channel (HH1)
50036340	4	ChEMBL_75160 (CHEMBL684971)	Blockade of the delayed rectifier K+ current (IKr) of guinea pig myocytes
50005043	2	ChEMBL_52846 (CHEMBL665050)	Concentration inhibiting Pneumocystis carinii dihydrofolate reductase
50005043	4	ChEMBL_53324 (CHEMBL664910)	Concentration inhibiting Toxoplasma gondii dihydrofolate reductase. 
50005043	5	ChEMBL_53323 (CHEMBL664909)	Concentration inhibiting Toxoplasma gondii dihydrofolate reductase
50005043	3	ChEMBL_52847 (CHEMBL665051)	Concentration inhibiting Pneumocystis carinii dihydrofolate reductase. 
50036342	7	ChEMBL_204755 (CHEMBL804516)	Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound
50036342	6	ChEMBL_204743 (CHEMBL805436)	Inhibitory activity measured on human steroid 5-alpha-reductase type 2
50036342	4	ChEMBL_204883 (CHEMBL808554)	Inhibition of recombinant steroid 5-alpha-reductase type I
50036343	4	ChEMBL_3282 (CHEMBL619083)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 4 receptor from guinea pig striatum using [3H]GR-113808 as radioligand.
50036343	3	ChEMBL_3280 (CHEMBL619081)	Displacement of [3H]-GR113808 from 5-HT4 receptor of guinea pig striatum
50036343	8	ChEMBL_2844 (CHEMBL617866)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor
50018104	2	ChEMBL_2264326	Inhibition of HDAC1 (unknown origin)
50018104	3	ChEMBL_2264327	Inhibition of HDAC2 (unknown origin)
50018104	4	ChEMBL_2264328	Inhibition of HDAC6 (unknown origin)
50018104	5	ChEMBL_2264329	Binding affinity to LSD1 (unknown origin)
50018104	6	ChEMBL_2264334	Binding affinity to LSD1 (unknown origin) assessed as inhibition constant
50018105	1	ChEMBL_2264336	Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in Trichoplusia ni insect cells assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 30 mins followed by ATP addition and further incubated for 15 mins by ADP-Glo reagent based assay
50041227	1	ChEMBL_36008 (CHEMBL858254)	Biological activity was measured against Angiotensin I converting enzyme
50036344	2	ChEMBL_201149 (CHEMBL802174)	Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.
50036344	3	ChEMBL_160084 (CHEMBL768669)	Inhibition of Putrescine aminopropyltransferase (PAPT) in rat liver.
50036344	7	ChEMBL_160085 (CHEMBL768670)	Inhibition of Putrescine aminopropyl transferase (PAPT) in rat liver
50005054	1	ChEMBL_76066 (CHEMBL688288)	Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7
50036345	1	ChEMBL_40270 (CHEMBL656505)	In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig ileal membrane receptor assay.
50036345	2	ChEMBL_40271 (CHEMBL656506)	In vitro antagonistic activity for Bradykinin receptor B2 by guinea pig pulmonary artery assay.
50005062	6	ChEMBL_63185 (CHEMBL677396)	Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles
50005062	5	ChEMBL_64046 (CHEMBL677406)	Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing rat ET- B receptors
50005062	1	ChEMBL_64034 (CHEMBL671553)	Binding affinity against endothelin B receptor rat cerebellar membranes.
50005062	4	ChEMBL_63193 (CHEMBL679796)	Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells
50005062	2	ChEMBL_64033 (CHEMBL671552)	Binding affinity against endothelin B receptor from rabbit renal vascular smooth muscles
50018105	2	ChEMBL_2264337	Inhibition of recombinant GST-tagged human Eg5 assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 30 mins followed by ATP addition and further incubated for 15 mins by ADP-Glo reagent based assay
50018105	3	ChEMBL_2264338	Inhibition of recombinant GST-tagged human CENP-E assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 30 mins followed by ATP addition and further incubated for 15 mins by ADP-Glo reagent based assay
50018105	4	ChEMBL_2264360	Inhibition of recombinant His-tagged mouse KIF18A expressed in Trichoplusia ni insect cells assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 30 mins followed by ATP addition and further incubated for 15 mins by ADP-Glo reagent based assay
50018105	5	ChEMBL_2264374	Binding affinity to KIF18A (unknown origin) by NMR based assay
50018105	6	ChEMBL_2264375	Inhibition of KIF18A ATPase activity (unknown origin)
50018106	1	ChEMBL_2264424	Inhibition of recombinant GST/PTP-fused human SHP2 (205 to 593 residues) expressed in Escherichia coli DH5alpha using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50005074	1	ChEMBL_35417 (CHEMBL643591)	Inhibition of [125I]-[Sar1,Ile8]Ang II binding at rat angiotensin II (type 2) receptor.
50005074	3	ChEMBL_35416 (CHEMBL643590)	Inhibitory concentration against Angiotensin II receptor type 2 with [125I]-[Sar1,Ile8]Ang II
50036346	2	ChEMBL_201916 (CHEMBL808205)	Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.
50036346	1	ChEMBL_202057 (CHEMBL809529)	Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.
50005081	3	ChEMBL_202059 (CHEMBL813142)	Binding affinity was measured on Sigma receptor type 2 using [3H]- DTG as radioligand
50005081	1	ChEMBL_201918 (CHEMBL872703)	Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand
50004960	5	ChEMBL_195209 (CHEMBL804228)	IC50 value was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oligo(dT)
50004960	2	ChEMBL_195213 (CHEMBL800924)	IC50 value was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rA)-oligo(dT)
50004960	4	ChEMBL_195211 (CHEMBL804230)	IC50 value was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rA)-oligo(dT).
50004960	1	ChEMBL_195212 (CHEMBL800923)	IC50 value was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rC)-oligo(dG).
50005088	1	ChEMBL_31713 (CHEMBL645373)	Effective concentration as Adenylate cyclase activity was measured in rat homogenate
50036347	2	ChEMBL_147278 (CHEMBL755200)	In vivo binding affinity was evaluated by measuring the ability to displace [3H]DPDPE radioligand binding from delta opioid receptor in guinea pig brain membranes
50036347	1	ChEMBL_146525 (CHEMBL753837)	Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain membranes
50036347	5	ChEMBL_145300 (CHEMBL752835)	In vivo binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membranes
50036347	3	ChEMBL_145285 (CHEMBL752954)	Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membranes
50036347	4	ChEMBL_146673 (CHEMBL753165)	In vivo binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain membranes
50036348	1	ChEMBL_62477 (CHEMBL677369)	Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand in rat striatal membranes.
50036348	2	ChEMBL_62476 (CHEMBL677368)	Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transporter
50005092	1	ChEMBL_46624 (CHEMBL658880)	Concentration of compound required to inhibit 50% of [3H]WIN-55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.
50004961	1	ChEMBL_205727 (CHEMBL809494)	Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cells
50005094	4	ChEMBL_60238 (CHEMBL671420)	In vitro binding affinity is the ability to displace [3H]N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells
50005094	1	ChEMBL_60239 (CHEMBL671421)	In vitro binding affinity is the ability to displace [3H]spiperone from human Dopamine receptor D2 expressed in CHO-K1 cells
50005096	4	ChEMBL_197067 (CHEMBL806656)	Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay.
50005096	3	ChEMBL_196764 (CHEMBL797916)	Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.
50005096	2	ChEMBL_197226 (CHEMBL798202)	Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay.
50005096	6	ChEMBL_197220 (CHEMBL798968)	Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay.
50005096	5	ChEMBL_197061 (CHEMBL807508)	Ability to activate gene expression at Retinoic acid receptor RXR-beta was evaluated in a cotransfection assay.
50005096	1	ChEMBL_196627 (CHEMBL798017)	Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.
50036349	1	ChEMBL_204756 (CHEMBL882394)	Inhibition of recombinant human Steroid 5-alpha-reductase type I
50036349	2	ChEMBL_204740 (CHEMBL805433)	Inhibition of recombinant human Steroid 5-alpha-reductase type 2
50005103	3	ChEMBL_201941 (CHEMBL809128)	In vitro inhibitory activity against pig liver microsomal squalene epoxidase
50005112	5	ChEMBL_68560 (CHEMBL679647)	Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor of rat cortex
50005112	3	ChEMBL_68425 (CHEMBL682871)	Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum
50005113	2	ChEMBL_68561 (CHEMBL679648)	Inhibition of binding of [3H]CGP-27492 to gamma-aminobutyric acid type B receptor of rat cortex.
50005117	3	ChEMBL_51870 (CHEMBL665881)	In vitro binding affinity against cyclophilin A by ELISA
50005117	2	ChEMBL_51871 (CHEMBL665882)	In vitro binding affinity against cyclophilin A by rotamase assay
50005118	2	ChEMBL_196906 (CHEMBL807368)	Effective concentration against Retinoic acid receptor RXR-alpha
50042205	2	ChEMBL_49896 (CHEMBL661738)	In vitro displacement of [125I]BH-CCK-8 from cDNA of human Cholecystokinin type A receptor expressed in CHO-K1 cells
50042205	1	ChEMBL_48241 (CHEMBL660310)	In vitro displacement of [125I]BH-CCK-8 from cDNA of human Cholecystokinin type B receptor expressed in CHO-K1 cells
50005124	23	ChEMBL_34314 (CHEMBL648099)	The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from hamster clones.
50005124	22	ChEMBL_34313 (CHEMBL648098)	Binding affinity against Alpha-1B adrenergic receptor from hamster clones.
50005124	37	ChEMBL_33360 (CHEMBL644764)	Binding affinity against Alpha-2B adrenergic receptor from human clones.
50005124	80	ChEMBL_34465 (CHEMBL651997)	Binding affinity against Alpha-1B adrenergic receptor from human clone
50005124	82	ChEMBL_34464 (CHEMBL651996)	The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from human clones.
50005124	71	ChEMBL_32298 (CHEMBL646245)	Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver)
50036351	1	ChEMBL_60065 (CHEMBL671379)	Binding affinity against cloned human Dopamine receptor D2 using [3H]spiperone as radioligand transfected in HEK cells
50036351	6	ChEMBL_59895 (CHEMBL673021)	Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D2
50036351	5	ChEMBL_60491 (CHEMBL674247)	Binding affinity against cloned human Dopamine receptor D1 using [125I]-SCH 23982 as radioligand transfected in HEK cells
50036351	7	ChEMBL_60358 (CHEMBL672093)	Adenylate cyclase assay carried out in LTK cells transfected with human Dopamine receptor D1
50036351	9	ChEMBL_38631 (CHEMBL650896)	Binding affinity against Beta-2 adrenergic receptor
50036351	8	ChEMBL_1567 (CHEMBL616354)	Binding affinity against serotonergic 5-HT1a receptor
50036353	7	ChEMBL_105827 (CHEMBL716487)	Evaluated for agonist at cloned mammalian Melanocortin 1 receptor in frog (Rana pipiens) skin assay
50036353	2	ChEMBL_105825 (CHEMBL716485)	Evaluated for agonist activity against human Melanocortin 1 receptor using hMC1-R assay
50036353	15	ChEMBL_106026 (CHEMBL718198)	Evaluated for partial agonistic activity at cloned mammalian Melanocortin 3 receptor
50036353	6	ChEMBL_106000 (CHEMBL716356)	Evaluated for agonist activity at cloned Melanocortin 3 receptor
50036353	1	ChEMBL_106189 (CHEMBL714608)	Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor
50036353	10	ChEMBL_106346 (CHEMBL713801)	Inhibitory activity against human Melanocortin 4 receptor
50036353	14	ChEMBL_106025 (CHEMBL718197)	Evaluated for partial agonistic activity at cloned mammalian Melanocortin 3 receptor
50036353	5	ChEMBL_105826 (CHEMBL716486)	Evaluated for agonist activity at cloned mammalian human MSH1 receptor
50036353	12	ChEMBL_106491 (CHEMBL716183)	Evaluated for partial agonistic activity at cloned mammalian Melanocortin 4 receptor
50036353	9	ChEMBL_106010 (CHEMBL716366)	Inhibitory activity against human Melanocortin 3 receptor
50036353	13	ChEMBL_105850 (CHEMBL717320)	Evaluated for antagonist activity at cloned mammalian MC1 receptor in frog (Rana pipiens) skin assay
50036353	4	ChEMBL_106009 (CHEMBL716365)	Inhibitory activity against Melanocortin 3 receptor
50036353	11	ChEMBL_106490 (CHEMBL716182)	Evaluated for agonist activity at cloned mammalian Melanocortin 4 receptor
50005129	3	ChEMBL_145799 (CHEMBL756066)	Binding affinity against Opioid receptor kappa 1 of Guinea pig brain homogenate using [3H]U-69593
50005129	2	ChEMBL_146978 (CHEMBL757517)	Binding affinity against Opioid receptor mu 1 from Guinea pig brain homogenate using [3H]DAMGO
50005129	1	ChEMBL_146867 (CHEMBL752610)	Binding affinity against delta opioid receptor of Guinea pig brain homogenate using [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin
50036354	2	ChEMBL_138811 (CHEMBL747492)	Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]OXO-M as the radioligand.
50036354	1	ChEMBL_138812 (CHEMBL747493)	Binding activity against muscarinic acetylcholine receptor M1 in rat brain, using [3H]-Pz as the radioligand.
50036355	1	ChEMBL_162884 (CHEMBL768980)	Antagonistic activity was tested against Platelet-Activating Factor-induced aggregation of rabbit washed platelets.
50036356	1	ChEMBL_155148 (CHEMBL760189)	In vitro antagonist activity against platelet activating factor (PAF) receptor, using washed rabbit platelets
50036358	1	ChEMBL_155202 (CHEMBL762819)	Inhibitory activity against phosphodiesterase 5 from human platelets
50036359	4	ChEMBL_30896 (CHEMBL645500)	Functional activity at Adenosine A2A receptor as vasorelaxation of rat aorta
50036359	2	ChEMBL_28390 (CHEMBL639537)	Activity at Adenosine A1 receptor of rat atria
50036359	3	ChEMBL_31072 (CHEMBL640432)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum
50036359	1	ChEMBL_29763 (CHEMBL636667)	Displacement of [3H]CHA from Adenosine A1 receptor of rat brain
50036360	3	ChEMBL_2009 (CHEMBL617304)	Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alpha
50036360	2	ChEMBL_2035 (CHEMBL616869)	Binding affinity for cloned human 5-hydroxytryptamine 1D receptor beta
50036362	2	ChEMBL_41580 (CHEMBL654874)	The compound was tested for Butyrylcholinesterase inhibitory activity in rat striatal homogenates
50036362	1	ChEMBL_29234 (CHEMBL641883)	Acetylcholinesterase inhibitory activity in rat striatal homogenates
50005147	1	ChEMBL_146340 (CHEMBL753789)	Inhibition against delta-opioid receptor using [3H]DPDPE radioligand.
50005147	2	ChEMBL_148516 (CHEMBL758126)	Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand.
50005149	2	ChEMBL_157769 (CHEMBL767672)	Ability to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)
50005149	1	ChEMBL_90625 (CHEMBL699907)	Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)
50003536	1	ChEBML_33031	Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand
50003536	2	ChEBML_33092	Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, using [3H]-prazosin as the radioligand
50036363	6	ChEMBL_33355 (CHEMBL644759)	Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor
50036363	14	ChEMBL_37978 (CHEMBL651613)	Effective dose for relaxation of guinea pig trachea.
50036363	7	ChEMBL_32443 (CHEMBL646104)	Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells
50036363	11	ChEMBL_39185 (CHEMBL877282)	Effective dose required to stimulate contractions in isolated guinea pig atrium.
50036363	18	ChEMBL_39184 (CHEMBL654481)	Effective concentration for Beta-1 adrenergic receptor mediated inhibition of neurotransmission in field-stimulated reserpine pretreated guinea pig ileum.
50036363	5	ChEMBL_33532 (CHEMBL648623)	Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor
50036363	12	ChEMBL_37976 (CHEMBL651611)	Activity for Beta-2 adrenergic receptor was assessed from effect on relaxation of guinea pig trachea.
50036363	15	ChEMBL_39069 (CHEMBL651140)	Activity for beta 3-adrenoceptor was assessed from effect on stimulation of lipolysis in rat adipocytes.
50036363	3	ChEMBL_33074 (CHEMBL647721)	Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor
50036363	2	ChEMBL_214787 (CHEMBL815524)	Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.
50036363	8	ChEMBL_34343 (CHEMBL649156)	Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells
50036363	9	ChEMBL_33729 (CHEMBL647045)	Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells
50036363	16	ChEMBL_39073 (CHEMBL651144)	Effective dose for contraction of reserpine-pretreated rat vas deferens
50004963	3	ChEMBL_218866 (CHEMBL820023)	Ability to inhibit mGluR1-alpha-mediated PI (phospho inositol) hydrolysis was determined at BHK cells at 100 Micro M Concentration
50036364	2	ChEMBL_140847 (CHEMBL752331)	Affinity for N-methyl-D-aspartate glutamate receptor 1 in rat brain synaptic membranes, using [3H]glycine as radioligand
50004965	8	ChEMBL_35413 (CHEMBL643587)	In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations.
50004965	1	ChEMBL_36952 (CHEMBL648855)	In vitro inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta membrane preparations.
50004965	5	ChEMBL_35412 (CHEMBL643586)	In vitro inhibitory activity against angiotensin II type 2 receptor in rat adrenal membrane preparations.
50004965	2	ChEMBL_36791 (CHEMBL650312)	In vitro inhibitory activity against angiotensin II receptor type 1, in human adrenal membrane preparations.
50004965	7	ChEMBL_35274 (CHEMBL648579)	In vitro inhibitory activity against Angiotensin II receptor, type 2 in human adrenal membrane preparations. For this assay, only 0.02%BSA was present in the assay mixture.
50004965	6	ChEMBL_35273 (CHEMBL648578)	In vitro inhibitory activity against Angiotensin II receptor type 2 in human adrenal membrane preparations.
50003564	3	ChEBML_196792	Ability to inhibit simian sarcoma virus reverse transcriptase
50003564	1	ChEBML_50773	Ability to inhibit mouse beta DNA polymerase
50004969	4	ChEMBL_54127 (CHEMBL668082)	Inhibitory concentration against CCRF-CEM leukemic cell DHFR(Dihydro folate reductase).
50004969	1	ChEMBL_209118 (CHEMBL812567)	Inhibitory concentration against Lactobacillus casei TS (Thymidylate synthase).
50004969	2	ChEMBL_54128 (CHEMBL668083)	Inhibitory concentration against recombinant human DHFR(Dihydro folate reductase).
50004969	7	ChEMBL_54907 (CHEMBL664716)	Inhibitory concentration against Lactobacillus casei DHFR(Dihydro folate reductase).
50004969	5	ChEMBL_209622 (CHEMBL816738)	Inhibitory concentration against recombinant human TS (Thymidylate synthase).
50036365	1	ChEMBL_72903 (CHEMBL684097)	Inhibition of Glyceraldehyde-3-phosphate dehydrogenase in human erythrocytes.
50036365	3	ChEMBL_72881 (CHEMBL684049)	TInhibition of glyceraldehyde-3-phosphate dehydrogenase in Leishmania mexicana
50036365	2	ChEMBL_72891 (CHEMBL684058)	Inhibition of glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei
50005321	1	ChEMBL_63962 (CHEMBL677431)	Binding affinity for purified Human neutrophil elastase was determined in vitro.
50005321	2	ChEMBL_63961 (CHEMBL677430)	Binding affinity for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.
50036367	4	ChEMBL_142944 (CHEMBL750796)	Binding affinity at the Norepinephrine transporter in rat frontal cortex by inhibition of 0.5 nM [3H]nisoxetine binding
50036367	3	ChEMBL_202127 (CHEMBL882265)	Inhibition of [3H]- 5-HT uptake in Serotonin transporter using serotonin uptake assay in rat midbrain tissue
50036367	6	ChEMBL_62637 (CHEMBL872892)	Inhibition of [3H]DA uptake by rat striatal dopamine transporter
50036367	5	ChEMBL_143124 (CHEMBL744029)	Inhibition of [3H]NE uptake by rat frontal cortex Norepinephrine transporter
50036367	1	ChEMBL_201510 (CHEMBL805637)	Binding affinity at the Serotonin transporter in rat midbrain by inhibition of 0.5 nM [3H]-paroxetine binding
50036367	7	ChEMBL_202133 (CHEMBL808122)	Ratio of Ki value towards Serotonin transporter to that of dopamine transporter
50036367	2	ChEMBL_61834 (CHEMBL673204)	Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding
50036369	2	ChEMBL_138932 (CHEMBL746581)	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]QNB as radioligand from rat heart tissue
50036369	1	ChEMBL_140171 (CHEMBL745475)	In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue
50036369	3	ChEMBL_139249 (CHEMBL746615)	In vitro binding affinity towards Muscarinic acetylcholine receptor M4 using [3H]QNB as radioligand from rat heart tissue
50036370	4	ChEMBL_62486 (CHEMBL677378)	Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.
50036370	2	ChEMBL_177956 (CHEMBL785171)	Inhibition of [3H]dopamine uptake in rat caudate putamen.
50036370	1	ChEMBL_138945 (CHEMBL745925)	Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.
50036370	3	ChEMBL_140181 (CHEMBL744098)	Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.
50003606	2	ChEBML_212984	Inhibition constant against Urokinase; Irregular
50003606	3	ChEBML_210591	Inhibition constant against bovine thrombin
50003606	5	ChEBML_155243	Inhibition constant against human plasminogen
50003606	4	ChEBML_212516	Inhibition constant against bovine trypsin
50003606	1	ChEMBL_212984 (CHEMBL817005)	Inhibition constant against Urokinase; Irregular
50004989	4	ChEMBL_63969 (CHEMBL677437)	Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa
50004991	2	ChEMBL_148866 (CHEMBL756662)	Inhibition of [3H]DAGO binding to rat brain Opioid receptor mu 1
50004991	1	ChEMBL_147032 (CHEMBL753673)	Inhibition of [3H]-DADLE binding to rat brain delta receptor
50036371	3	ChEMBL_29482 (CHEMBL641716)	Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand
50036371	1	ChEMBL_29481 (CHEMBL641715)	Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand
50036371	2	ChEMBL_30929 (CHEMBL647738)	Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radioligand
50003637	4	ChEBML_207844	Compound was tested for the binding affinity to thymidine kinase from HSV-1 infected HeLa Bu
50036372	1	ChEMBL_30794 (CHEMBL645070)	Inhibition calf intestine adenosine deaminase
50036373	4	ChEMBL_83767 (CHEMBL693825)	Compound is evaluated for in vitro receptor binding affinity against H1 receptor
50005003	1	ChEMBL_195844 (CHEMBL799143)	antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant
50005006	2	ChEMBL_209245 (CHEMBL814872)	Evaluated for the activation of human thrombin receptor measured by platelet aggregation
50005006	1	ChEMBL_209246 (CHEMBL814873)	Evaluated for the activity of Radio-ligand Peptides upon the activation of human thrombin receptor measured by platelet aggregation
50004851	1	ChEMBL_88620 (CHEMBL701724)	In vitro inhibitory activity against HIV-1 integrase.
50004852	3	ChEMBL_50519 (CHEMBL661136)	Tested for inhibition of human testicular C17,20-Lyase.
50004852	1	ChEMBL_204572 (CHEMBL812535)	Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase
50004852	5	ChEMBL_204567 (CHEMBL812530)	Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase
50004852	4	ChEMBL_50524 (CHEMBL661141)	Inhibition of rat testicular C17,20-Lyase
50036376	2	ChEMBL_58517 (CHEMBL672012)	Binding affinity against dopamine receptor D1 from rat striatal membranes using [3H]-SCH- 23390 as radioligand.
50004865	8	ChEMBL_65814 (CHEMBL679716)	The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.
50004865	3	ChEMBL_65807 (CHEMBL679710)	Inhibitory effect against porcine Endothelin A receptor
50004865	4	ChEMBL_65823 (CHEMBL682957)	Inhibitory effect against porcine Endothelin A receptor
50004869	4	ChEMBL_58346 (CHEMBL880016)	Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.
50004869	1	ChEMBL_61763 (CHEMBL671129)	Binding affinity against dopamine receptor D2 
50004869	5	ChEMBL_2593 (CHEMBL617461)	Binding affinity for 5-hydroxytryptamine 2A receptor, activity is expressed as IC50 values.
50004876	1	ChEMBL_76105 (CHEMBL684606)	Antiviral activity against HIV-I infected H9 cells
50004876	2	ChEMBL_157873 (CHEMBL765640)	Inhibitory activity against HIV-I protease.
50004880	2	ChEMBL_54901 (CHEMBL664710)	Inhibitory activity against dihydro folate reductase from Lactobacillus casei
50004880	5	ChEMBL_54108 (CHEMBL668438)	Inhibitory activity against dihydro folate reductase from human recombinant sources
50004880	4	ChEMBL_209110 (CHEMBL812388)	Inhibitory activity against thymidylate Synthase from Lactobacillus casei
50004885	2	ChEMBL_3832 (CHEMBL618017)	Inhibition of Human 5-lipoxygenase
50004887	1	ChEMBL_195770 (CHEMBL803435)	Evaluation of inhibitory activity against human renin. value in parentheses indicate no. of determinations
50004888	1	ChEMBL_158594 (CHEMBL769636)	In vitro inhibition of prostaglandin G/H synthase 1.
50003674	2	ChEMBL_32202 (CHEMBL648981)	Competitive inhibition of adenylate kinase III in rat liver with respect to ATP
50003674	3	ChEMBL_32202 (CHEMBL648981)	Competitive inhibition of adenylate kinase III in rat liver with respect to ATP
50004894	1	ChEMBL_195839 (CHEMBL799138)	Inhibition of HIV-1 reverse transcriptase (RT)
50004895	1	ChEMBL_64004 (CHEMBL672345)	Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
50004896	4	ChEMBL_65120 (CHEMBL678922)	In vitro inhibition of EGF-stimulated DNA synthesis of ER 22 cells by following the incorporation of methyl-[3H]thymidine.
50004898	3	ChEMBL_105693 (CHEMBL716474)	Effective concentration for the effect of Melanocortin 1 receptor in the frog skin.
50004898	2	ChEMBL_105822 (CHEMBL716482)	Effective concentration against Melanocortin 1 receptor transfected into L-cells was determined by concentration of peptide for 50% maximal cAMP generation
50004898	1	ChEMBL_105838 (CHEMBL716497)	The concentration that inhibits 50% specific binding was determined against the Melanocortin 1 receptor
50004900	7	ChEMBL_52983 (CHEMBL884358)	Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii at 37 centigrade.
50004900	8	ChEMBL_52982 (CHEMBL664189)	Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii. (high potency)
50004900	1	ChEMBL_52998 (CHEMBL664429)	Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase
50004900	6	ChEMBL_52984 (CHEMBL665253)	Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii in the prence of 100 micro M PABA.
50004900	9	ChEMBL_52981 (CHEMBL876710)	Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii. 
50004900	5	ChEMBL_52976 (CHEMBL664184)	Inhibitory activity of Pneumocystis carinii growth culture against dihydrofolate reductase. 
50004902	1	ChEMBL_195814 (CHEMBL799663)	Binding constant for baculovirus-expressed Retinoic acid receptor RAR beta
50004902	2	ChEMBL_196325 (CHEMBL806268)	Binding constant for baculovirus-expressed Retinoic acid receptor RAR gamma
50004904	3	ChEMBL_148838 (CHEMBL753956)	Ability to inhibit [3H]DAMGO binding to rat brain Opioid receptor mu 1
50004904	2	ChEMBL_146229 (CHEMBL754998)	Ability to inhibit [3H]U-69593 binding to guinea pig Opioid receptor kappa 1
50004904	1	ChEMBL_201913 (CHEMBL880938)	Ability to inhibit [3H](+)-pentazocine binding to guinea pig brain Sigma receptor type 1
50004904	4	ChEMBL_146892 (CHEMBL751666)	Ability to inhibit [3H]DADLE binding to rat brain delta receptor
50004906	2	ChEMBL_205712 (CHEMBL807959)	Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykinin receptor 1
50006359	1	ChEMBL_158585 (CHEMBL767753)	Inhibition of Prostaglandin G/H synthase 1 in human U937 cells
50041235	1	ChEMBL_159137 (CHEMBL859312)	Inhibitory activity was determined against HIV type 1 protease
50036383	3	ChEMBL_61949 (CHEMBL671349)	Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3
50036383	1	ChEMBL_59154 (CHEMBL671035)	Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2
50006365	5	ChEMBL_157068 (CHEMBL764850)	Inhibition of Phosphodiesterase 5 isolated from human trachea
50036384	3	ChEMBL_60882 (CHEMBL673529)	In vitro inhibition of HL60 (human leukemia) cell binding to human recombinant e-selectin.
50036384	2	ChEMBL_200001 (CHEMBL810690)	In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L
50036384	1	ChEMBL_200033 (CHEMBL882253)	In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin P
50006369	2	ChEMBL_61614 (CHEMBL672911)	Binding affinity towards human Dopamine receptor D2L evaluated using [3H]spiperone
50006369	3	ChEMBL_61613 (CHEMBL672910)	Binding affinity towards human Dopamine receptor D2L evaluated using [3H]N-0437
50036386	4	ChEMBL_145429 (CHEMBL748774)	The opioid receptor affinity(Ki) was evaluated by competition with [3H]DAMGO (mu) on guinea pig brain membranes
50036386	3	ChEMBL_145075 (CHEMBL754635)	The opioid receptor affinity(Ki) was evaluated by competition with [3H]DSLET (delta 2) on guinea pig brain membranes
50036386	1	ChEMBL_146800 (CHEMBL756055)	The opioid receptor affinity(Ki) was evaluated by competition with 9 (Opioid receptor kappa 1) on guinea pig brain membranes
50036386	2	ChEMBL_147294 (CHEMBL756033)	The opioid receptor affinity(Ki) was evaluated by competition with [3H]-DPDPE (delta 1) on guinea pig brain membranes
50018106	2	ChEMBL_2264425	Inhibition of recombinant GST-tagged full length human SHP2 E76K mutant expressed in Escherichia coli DH5alpha using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50018106	3	ChEMBL_2264426	Inhibition of SHP2 (unknown origin)
50018106	4	ChEMBL_2264429	Inhibition of 6His-tagged TEV protease fused human SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 star (DE3) using DiFMUP as substrate preincubated for 30 to 60 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50005369	1	ChEMBL_90706 (CHEMBL702105)	Inhibition of HIV -1 Integrase
50005369	2	ChEMBL_159451 (CHEMBL766796)	Inhibition of HIV -1 protease
50005371	4	ChEMBL_138134 (CHEMBL747393)	Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]QNB from guinea pig cerebral cortex
50005371	1	ChEMBL_138314 (CHEMBL743825)	Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]QNB from guinea pig parotid gland
50005371	3	ChEMBL_139350 (CHEMBL752398)	Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]QNB from guinea pig heart
50036387	1	ChEMBL_146995 (CHEMBL753816)	Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand
50036387	3	ChEMBL_145934 (CHEMBL748537)	Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand
50036387	4	ChEMBL_147110 (CHEMBL758273)	Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand
50003701	1	ChEBML_4053	Inhibitory activity against 5-lipoxygenase
50003705	1	ChEBML_50629	Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay
50005380	4	ChEMBL_159284 (CHEMBL878766)	Ability to inhibit HIV-1 protease was determined using spectrofluorimetric assay
50005380	1	ChEMBL_157540 (CHEMBL764925)	Binding affinity for HIV-1 protease was determined
50005380	6	ChEMBL_157543 (CHEMBL764927)	Binding affinity for HIV-1 protease was determined.
50005380	5	ChEMBL_157542 (CHEMBL873415)	Binding affinity for HIV-1 protease was determined in vitro.
50005380	3	ChEMBL_159285 (CHEMBL764268)	Ability to inhibit HIV-1 protease was determined using spectrofluorimetric assay.
50005380	2	ChEMBL_157541 (CHEMBL764926)	Binding affinity for HIV-1 protease was determined in vitro
50005381	3	ChEMBL_145806 (CHEMBL756073)	Binding affinity towards Opioid receptor kappa 1 in guinea pig brain using [3H]U-69593 as radioligand.
50005381	2	ChEMBL_146876 (CHEMBL750003)	Compound was evaluated for its receptor binding affinity at [3H]cyclo[D-pen2,p-cl-Phe4,D-Pen5](delta receptor) to opioid receptor in guinea pig brain
50005381	1	ChEMBL_146980 (CHEMBL757519)	Binding affinity towards Opioid receptor mu 1 in guinea pig brain using [3H]DAMGO as radioligand.
50005388	1	ChEMBL_1306 (CHEMBL616683)	Ability to displace [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor
50005390	1	ChEMBL_4057 (CHEMBL618104)	Inhibitory activity uM
50005391	1	ChEMBL_158020 (CHEMBL768446)	In vitro inhibition of Prostaglandin I2 synthase from human blood platelet microsomes
50005391	2	ChEMBL_210278 (CHEMBL808525)	In vitro Inhibition of thromboxane synthase from human blood platelet microsomes
50036389	2	ChEMBL_157265 (CHEMBL765465)	In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothyronine receptor
50036389	1	ChEMBL_143915 (CHEMBL752718)	Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.
50036389	3	ChEMBL_143914 (CHEMBL872845)	In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor
50036391	1	ChEMBL_54287 (CHEMBL666806)	Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase
50036391	3	ChEMBL_216591 (CHEMBL874093)	Inhibitory compound against Wild-type human DHFR.
50036391	4	ChEMBL_216590 (CHEMBL821382)	Inhibitory activity against Wild-type human DHFR
50005163	1	ChEMBL_162188 (CHEMBL766708)	Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)
50005163	2	ChEMBL_162189 (CHEMBL766709)	Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride
50005165	5	ChEMBL_40713 (CHEMBL653598)	The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310
50005165	4	ChEMBL_40712 (CHEMBL653597)	The concentration of compound to inhibit beta-lactamase was measured on Escherichia coli WC3310
50005165	7	ChEMBL_40542 (CHEMBL652172)	The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368
50005165	6	ChEMBL_40710 (CHEMBL653595)	The concentration of compound to inhibit Beta-lactamase was measured on Escherichia coli WC3310
50005165	11	ChEMBL_40540 (CHEMBL652170)	The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99
50005165	8	ChEMBL_40711 (CHEMBL653596)	The concentration of compound to inhibit Beta-lactamase was measured on Escherichia coli WC3310
50005165	2	ChEMBL_40543 (CHEMBL652173)	The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99
50005165	1	ChEMBL_40544 (CHEMBL652174)	The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae SC 12368
50005165	3	ChEMBL_40539 (CHEMBL876084)	The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae SC 12368
50005165	9	ChEMBL_40541 (CHEMBL652171)	The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae SC 12368
50005165	10	ChEMBL_40418 (CHEMBL652633)	The concentration of compound to inhibit Beta-lactamase was measured on Enterobacter cloacae P99
50005168	1	ChEMBL_54018 (CHEMBL663903)	Inhibitory activity against DNA topoisomerase-1 obtained from Hela cells
50005171	2	ChEMBL_99508 (CHEMBL708406)	Binding affinity towards Leukotriene B4 (LTB4) Receptor. (Experiment conducted in the absence of NDGA)
50005171	3	ChEMBL_99507 (CHEMBL708405)	Binding affinity for Leukotriene B4 (LTB4) receptor
50005171	1	ChEMBL_99509 (CHEMBL708407)	Binding affinity towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.
50036393	2	ChEMBL_90697 (CHEMBL702098)	IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage
50036393	1	ChEMBL_90698 (CHEMBL702099)	IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration
50036395	1	ChEMBL_205570 (CHEMBL807903)	Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement.
50004947	1	ChEMBL_205569 (CHEMBL807902)	Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.
50004947	2	ChEMBL_205573 (CHEMBL807906)	Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.
50004947	3	ChEMBL_205574 (CHEMBL807907)	Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.
50004947	4	ChEMBL_205571 (CHEMBL807904)	Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.
50041239	3	ChEMBL_52999 (CHEMBL664430)	Inhibition of dihydrofolate reductase from Pneumocystis carinii.
50005187	1	ChEMBL_28792 (CHEMBL641702)	Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.
50036398	7	ChEMBL_1560 (CHEMBL616381)	Binding affinity against 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT radioligand
50036400	2	ChEMBL_30921 (CHEMBL647731)	Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand
50036400	3	ChEMBL_30466 (CHEMBL643127)	Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat adenosine A3 receptor
50036400	1	ChEMBL_29014 (CHEMBL875796)	Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.
50036400	6	ChEMBL_28523 (CHEMBL640692)	Binding affinity against Adenosine A1 receptor in rat brain membranes by displacement of [3H]PIA
50036400	7	ChEMBL_30900 (CHEMBL645503)	Binding affinity against Adenosine A2A receptor in rat striatal membranes b displacement of [3H]-CGS- 21680
50003738	1	ChEBML_145676	Ability to induce 50% of maximal effect in rabbit vas deferens expressing Opioid receptor kappa 1
50003740	1	ChEBML_28961	Inhibitory activity against adenosine A1 receptor in bovine brain membranes
50036401	2	ChEMBL_2613 (CHEMBL617481)	Binding affinity against 5-hydroxytryptamine 2A receptor
50036401	1	ChEMBL_2819 (CHEMBL617848)	Binding affinity against 5-hydroxytryptamine 2C receptor
50036402	1	ChEMBL_162891 (CHEMBL768221)	PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C.
50005202	2	ChEMBL_147024 (CHEMBL753665)	Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain
50005202	1	ChEMBL_145151 (CHEMBL755955)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of guinea pig brain
50005202	3	ChEMBL_146366 (CHEMBL759286)	Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain
50005204	4	ChEMBL_63197 (CHEMBL873588)	Tested for antagonistic activity against Endothelin A receptor in the rabbit renal artery vascular smooth muscle cells.
50005204	5	ChEMBL_65502 (CHEMBL876876)	Antagonistic activity against human Endothelin A receptor expressed in LtK
50036403	5	ChEMBL_1575 (CHEMBL616565)	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand
50036403	8	ChEMBL_2044 (CHEMBL616842)	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor beta by using [3H]5-HT as radioligand
50036403	3	ChEMBL_61303 (CHEMBL872497)	In vitro binding affinity towards Dopamine receptor D2 by using [3H]spiperone as radioligand
50036403	4	ChEMBL_61302 (CHEMBL673095)	In vitro binding affinity towards Dopamine receptor D2 by using [3H]U-86170 as radioligand
50036403	2	ChEMBL_2007 (CHEMBL617302)	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor alpha by using [3H]5-HT as radioligand
50036403	6	ChEMBL_62934 (CHEMBL673839)	In vitro binding affinity towards Dopamine receptor D3 by using [3H]spiperone as radioligand
50036403	7	ChEMBL_2043 (CHEMBL616841)	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor alpha by using [3H]-5-HT as radioligand
50005213	2	ChEMBL_145074 (CHEMBL754634)	Tested for binding affinity against delta2 opioid receptor using [3H]DSLET as a radioligand in the guinea pig brain membranes.
50005213	1	ChEMBL_147286 (CHEMBL755439)	Tested for binding affinity against delta1 opioid receptor using [3H]-DPDPE as a radioligand in the guinea pig brain membranes.
50005213	4	ChEMBL_146792 (CHEMBL754152)	Tested for binding affinity against Opioid receptor kappa 1 using [3H]U-69593 as a radioligand in the guinea pig brain membranes.
50005213	3	ChEMBL_145425 (CHEMBL747235)	Tested for binding affinity against mu opioid receptor using [3H]DAMGO as a radioligand in the guinea pig brain membranes.
50004951	1	ChEMBL_195068 (CHEMBL797523)	In vitro for inhibition of HIV-1 reverse transcriptase.
50036404	2	ChEMBL_106690 (CHEMBL714671)	Concentration for half maximal activation of metabotropic glutamate mGluR4a in rat
50003800	1	ChEMBL_192916 (CHEMBL795276)	Compound was evaluated for competitive Renin inhibitory activity against hog kidney renin; Non competitive
50003800	3	ChEBML_192917	Compound was evaluated for Non-competitive Renin inhibitory activity against hog kidney renin; Non competitive
50036404	11	ChEMBL_105718 (CHEMBL719085)	Concentration for half maximal activation of metabotropic glutamate mGluR1b in rat
50036404	3	ChEMBL_106064 (CHEMBL718229)	Concentration for half maximal activation of metabotropic glutamate mGluR2 in rat
50036404	9	ChEMBL_104281 (CHEMBL711716)	Concentration for half maximal activation of metabotropic glutamate mGluR5a in rat
50036404	16	ChEMBL_105571 (CHEMBL709768)	Concentration for half maximal activation of metabotropic glutamate mGluR1b in human
50036404	6	ChEMBL_105717 (CHEMBL719084)	Concentration for half maximal activation of metabotropic glutamate mGluR1a in rat
50003815	1	ChEBML_54895	Concentration required for 50% inhibition against dihydrofolate reductase of Lactobacillus casei
50003816	2	ChEBML_154017	Tested for time independent inhibition constant against porcine pepsin
50003816	1	ChEMBL_154017 (CHEMBL759138)	Tested for time independent inhibition constant against porcine pepsin
50036404	1	ChEMBL_105719 (CHEMBL719086)	Concentration for half maximal activation of metabotropic glutamate mGluR1c in rat
50036404	14	ChEMBL_104282 (CHEMBL711717)	Concentration for half maximal activation of metabotropic glutamate mGluR5b in rat
50036404	12	ChEMBL_104481 (CHEMBL879748)	Concentration for half maximal activation of metabotropic glutamate mGluR7 in rat
50036405	2	ChEMBL_204738 (CHEMBL805431)	In vitro inhibition of human Steroid 5-alpha-reductase type 2 in transfected SW-13 cells using [3H]- delta4-Androstenedione as substrate
50036405	1	ChEMBL_204754 (CHEMBL804515)	In vitro inhibition of human tSteroid 5-alpha-reductase type I in transfected 293 cells using [3H]- delta4-Androstenedione as substrate.
50036406	1	ChEMBL_28394 (CHEMBL636813)	Functional activity against adenosine A1 receptor from rat atria.
50036406	3	ChEMBL_28988 (CHEMBL636766)	Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand.
50036406	4	ChEMBL_30898 (CHEMBL875015)	Functional activity against adenosine A2a receptor from rat aorta.
50036406	2	ChEMBL_30919 (CHEMBL647729)	Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.
50003845	2	ChEBML_54924	Inhibition constant of compound against Lactobacillus casei dihydrofolate reductase
50003857	3	ChEBML_155549	Inhibition of fraction II of guinea pig phosphodiesterase
50003885	1	ChEBML_88385	Concentration of the HOX that inhibits 50% of AChE (Acetylcholinesterase) activity
50005225	4	ChEMBL_3887 (CHEMBL619402)	5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using LTB4. 
50005229	6	ChEMBL_208171 (CHEMBL819272)	Binding affinity against alpha thrombin
50005229	4	ChEMBL_92368 (CHEMBL701582)	Binding affinity against kallikrein
50005229	2	ChEMBL_208172 (CHEMBL819078)	Binding affinity against gamma thrombin
50005229	3	ChEMBL_208173 (CHEMBL819079)	Binding affinity against thrombin
50005229	10	ChEMBL_155232 (CHEMBL764722)	Binding affinity against plasmin
50036407	1	ChEMBL_145926 (CHEMBL752593)	Inhibition of [3H]U-69593 radioligand binding to Guinea pig opioid receptor kappa 1.
50036407	4	ChEMBL_145907 (CHEMBL750396)	Opioid activity against delta-receptor of isolated mouse vas deferens(MVD) at 30 uM
50036407	3	ChEMBL_146767 (CHEMBL755211)	Inhibition of [3H]DADLE radioligand binding to rat brain opioid receptor delta 1.
50036407	7	ChEMBL_145927 (CHEMBL752594)	Inhibition of [3H]-U-69,593 radioligand binding to Guinea pig Opioid receptor kappa 1; not determined
50036407	2	ChEMBL_148687 (CHEMBL751061)	Inhibition of [3H]DAMGO radioligand binding to rat brain opioid receptor mu 1.
50036407	5	ChEMBL_147118 (CHEMBL757878)	The opioid activity against the mu-receptor in the isolated guinea pig ileum(GPI)
50036409	1	ChEMBL_147031 (CHEMBL753672)	Binding affinity towards Opioid receptor delta 1 using [3H]DADLE as radioligand.
50036409	2	ChEMBL_148868 (CHEMBL753746)	Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand.
50036409	3	ChEMBL_146508 (CHEMBL754617)	Binding affinity towards Opioid receptor kappa 1 using [3H]U-69593 as radioligand.
50005234	1	ChEMBL_63982 (CHEMBL677608)	In vitro inhibitory activity against Human leukocyte elastase
50036411	2	ChEMBL_162732 (CHEMBL765035)	In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells
50036411	1	ChEMBL_47831 (CHEMBL662573)	Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex
50006420	1	ChEMBL_160131 (CHEMBL766776)	Displacement of [H-20]phorbol12,13-dibutyrate (PDBU) from Protein kinase C alpha
50036413	2	ChEMBL_70445 (CHEMBL680078)	In vitro inhibition of Farnesyltransferase
50006429	1	ChEMBL_158921 (CHEMBL763485)	Inhibitory activity against prostaglandin G/H synthase 1 (COX-1).
50003918	1	ChEBML_68664	Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.
50003919	1	ChEBML_152655	Inhibitory activity against papain
50003919	2	ChEMBL_152655 (CHEMBL763844)	Inhibitory activity against papain
50036414	1	ChEMBL_30974 (CHEMBL646136)	Binding affinity towards Adenosine deaminase
50006432	1	ChEMBL_58157 (CHEMBL672680)	Effective concentration was determined for the adenylate cyclase activity in rat striatal tissue as a measure of Dopamine receptor D1 functional activity
50006433	1	ChEMBL_160133 (CHEMBL766778)	Displacement of phorbol 12,13-dibutyrate (PDBU) from Protein kinase C alpha
50006436	10	ChEMBL_910 (CHEMBL615759)	In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]8-OH-DPAT displacement.
50006436	5	ChEMBL_1639 (CHEMBL616731)	Binding affinity towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate
50006436	4	ChEMBL_1997 (CHEMBL617599)	In vitro affinity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]5-HT displacement.
50006436	6	ChEMBL_2025 (CHEMBL617320)	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta
50006439	1	ChEMBL_160135 (CHEMBL766780)	Displacement of [3H-20]-PDBU from recombinant Protein kinase C alpha
50036416	2	ChEMBL_54114 (CHEMBL668272)	Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2
50036416	1	ChEMBL_54113 (CHEMBL668271)	Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1
50006442	1	ChEMBL_54109 (CHEMBL668439)	Inhibitory activity against purified human dihydrofolate reductase (DHFR) in human leukemia cells (CCRF-CEM)
50006443	2	ChEMBL_209957 (CHEMBL820613)	Inhibition of Thymidylate synthase activity in L1210 cells
50006444	2	ChEMBL_88593 (CHEMBL699985)	Inhibitory concentration against 3'-processing by HIV -1 Integrase
50006444	1	ChEMBL_88594 (CHEMBL699986)	Inhibitory concentration against Strand transfer by HIV -1 Integrase
50006529	2	ChEMBL_146727 (CHEMBL753265)	Activity was evaluated by inhibition of the binding of 1 nM [3H]DPDPE at Opioid receptor delta 1 binding site
50006529	3	ChEMBL_145506 (CHEMBL752148)	Activity was evaluated by inhibition of the binding of 1 nM [3H]U-69593 at Opioid receptor kappa 1 binding site
50006529	1	ChEMBL_146694 (CHEMBL753771)	Activity was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site
50003934	1	ChEBML_192	Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase
50003959	2	ChEBML_217498	Inhibition of human lung low-affinity cGMP phosphodiesterases (10-50 uM/L)
50003961	1	ChEBML_148131	The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)
50003981	1	ChEBML_71301	In vivo inhibitory activity against glyoxalase II in rat liver
50036417	1	ChEMBL_199999 (CHEMBL810688)	Inhibitory concentration against blocking of Selectin L during migration of inflammatory cells to inflammatory site
50036417	2	ChEMBL_61022 (CHEMBL675027)	Inhibitory concentration against blocking of E-selectin during migration of inflammatory cells to inflammatory site
50036417	3	ChEMBL_200030 (CHEMBL810719)	Inhibitory concentration against blocking of Selectin P during migration of inflammatory cells to inflammatory site
50041240	8	ChEMBL_3458 (CHEMBL618142)	Binding affinity towards 5-hydroxytryptamine 3 receptor
50004054	2	ChEBML_142958	Inhibition of the NE [3H]norepinephrine uptake by rat brain slices In vitro
50004054	1	ChEBML_201648	In vitro inhibition of [14C]5-HT transporter uptake by rat brain slices
50041240	5	ChEMBL_2255 (CHEMBL873476)	Binding affinity towards 5-hydroxytryptamine 2A receptor
50036418	1	ChEMBL_145811 (CHEMBL756077)	Inhibition of [3H]- U69,593 binding to Guinea pig Opioid receptor kappa 1
50036418	11	ChEMBL_148549 (CHEMBL755351)	Compound was evaluated for Inhibition of Radio Ligand binding of [3H]- DAMGO at Rat brain Opioid receptor mu 1 binding site
50036418	2	ChEMBL_146752 (CHEMBL753332)	Inhibition of [3H]- DADLE binding to Rat brain Opioid receptor delta 1
50004093	3	ChEMBL_139742 (CHEMBL743995)	Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum
50036418	5	ChEMBL_146977 (CHEMBL757516)	Agonistic activity for Opioid receptor mu 1 as inhibitory activity towards electrically stimulated guinea pig ileum
50036418	3	ChEMBL_148550 (CHEMBL755352)	Inhibition of [3H]- DAMGO binding to Rat brain Opioid receptor mu 1
50036418	7	ChEMBL_148552 (CHEMBL755354)	Compound was evaluated for Inhibition of binding of [3H]- DAMGO to Rat brain Opioid receptor mu 1 binding site
50036418	4	ChEMBL_53450 (CHEMBL666300)	Agonistic activity towards Opioid receptor delta 1 as inhibitory activity towards electrically stimulated mouse vas deferens
50036418	6	ChEMBL_145812 (CHEMBL756244)	Compound was evaluated for inhibition of binding of [3H]- U69,593 to Guinea pig Opioid receptor kappa 1
50018106	5	ChEMBL_2264431	Inhibition of full length SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition
50006558	5	ChEMBL_63845 (CHEMBL673229)	Binding affinity towards human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from CHO cells
50004100	3	ChEBML_192914	Inhibition of renin was measured using hog kidney renin and the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH
50004100	2	ChEBML_154165	Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe
50004100	4	ChEMBL_192913 (CHEMBL795273)	Inhibition of renin was measured using hog kidney and the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH
50006558	3	ChEMBL_63516 (CHEMBL677266)	Binding affinity towards Endothelin B receptor by measuring its ability to displace [125I]ET-3 from guinea pig cerebellum
50004101	1	ChEMBL_54513 (CHEMBL663860)	Inhibition of Bacillus subtilis DNA topoisomerase III (wild type)
50004101	5	ChEBML_54508	Inhibition of Bacillus subtilis DNA topoisomerase III (wild type)
50004101	3	ChEBML_52808	Inhibition against Bacillus subtilis DNA Polymerase III/azp-12(mutant)
50004101	2	ChEMBL_52808 (CHEMBL664119)	Inhibition against Bacillus subtilis DNA Polymerase III/azp-12(mutant)
50004101	4	ChEMBL_54508 (CHEMBL663856)	Inhibition of Bacillus subtilis DNA topoisomerase III (wild type)
50006558	4	ChEMBL_63857 (CHEMBL672901)	Binding affinity towards human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from CHO cells
50006560	1	ChEMBL_195387 (CHEMBL806876)	Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)
50018106	6	ChEMBL_2264432	Inhibition of wild type SHP2 PTP domain (unknown origin)
50004115	1	ChEBML_31920	Binding affinity towards rabbit aldose reductase
50006565	7	ChEMBL_34636 (CHEMBL647281)	Binding affinity towards Alpha-1B adrenergic receptor in rat liver using [3H]prazosin as radioligand
50006565	10	ChEMBL_34025 (CHEMBL646014)	Binding affinity towards Alpha-1A adrenergic receptor in rat hippocampal membranes using [3H]prazosin as radioligand
50006565	12	ChEMBL_1115 (CHEMBL616060)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hypocampus membrane using [3H]8-OH-DPAT as radioligand
50006565	4	ChEMBL_34320 (CHEMBL873168)	Binding affinity towards Alpha-1B adrenergic receptor hamster smooth muscle using [3H]prazosin as radioligand
50006565	5	ChEMBL_32723 (CHEMBL645995)	Binding affinity towards Alpha-1D adrenergic receptor in rat brain using [3H]prazosin as radioligand
50006565	2	ChEMBL_62249 (CHEMBL675476)	Binding affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand
50006565	3	ChEMBL_33586 (CHEMBL647137)	Binding affinity towards Alpha-1A adrenergic receptor in bovine brain using [3H]prazosin as radioligand
50006566	4	ChEMBL_219018 (CHEMBL818786)	Concentration required for the half-maximal inhibition of cAMP hydrolysis in BHK cells expressing mGluR4
50006566	16	ChEMBL_106711 (CHEMBL715717)	Binding affinity towards metabotropic glutamate receptor mGluR4a
50006566	19	ChEMBL_106232 (CHEMBL715058)	Concentration required for the half-maximal inhibition of cAMP formation in BHK cells expressing mGluR2
50006566	20	ChEMBL_105884 (CHEMBL717934)	Binding affinity towards metabotropic glutamate receptor mGluR1
50006566	15	ChEMBL_106231 (CHEMBL715057)	Effective concentration forskolin-stimulated cAMP formation in BHK cells expressing mGluR2 receptor
50006566	3	ChEMBL_219017 (CHEMBL818785)	Concentration required for the half-maximal inhibition of cAMP formation in BHK cells expressing mGluR4
50006566	6	ChEMBL_219016 (CHEMBL818784)	Effective concentration against forskolin-stimulated cAMP formation in BHK cells expressing mGluR4 receptor
50006566	17	ChEMBL_105873 (CHEMBL717924)	Binding affinity towards mGluR1a was determined
50006566	14	ChEMBL_106363 (CHEMBL714442)	Concentration required for the half-maximal inhibition of cAMP hydrolysis in BHK cells expressing mGluR2
50004139	1	ChEBML_154018	The compound was tested for inhibition of carboxyl protease (pepsin) inhibition
50004146	4	ChEBML_31462	Inhibitory concentration was determined against partially purified calf lens aldose reductase using glyceraldehyde as a substrate; 10e-4/10e-5
50006566	11	ChEMBL_105877 (CHEMBL717928)	Concentration required for the half-maximal inhibition of cAMP formation in BHK cells expressing mGluR2
50004146	3	ChEMBL_31463 (CHEMBL647985)	Inhibitory concentration was determined against partially purified calf lens aldose reductase using glyceraldehyde as a substrate; 10e-6/10e-7
50004146	5	ChEMBL_31461 (CHEMBL647983)	Inhibitory concentration was determined against partially purified calf lens aldose reductase using glyceraldehyde as a substrate
50004158	2	ChEBML_29253	Inhibitory constant against rat brain acetylcholinesterase at pH 7.0
50006566	10	ChEMBL_219010 (CHEMBL818778)	Effective concentration of compound against forskolin-stimulated cAMP formation in BHK cells expressing mGluR4 receptor
50006566	23	ChEMBL_105880 (CHEMBL717931)	Concentration required for the half-maximal inhibition of PI hydrolysis in BHK cells expressing mGluR1a
50006566	1	ChEMBL_219007 (CHEMBL818775)	Effective concentration of compound against forskolin-stimulated cAMP formation in BHK cells expressing mGluR2 receptor
50006566	13	ChEMBL_105878 (CHEMBL717929)	Concentration required for half-maximal stimulation of PI hydrolysis in BHK cells expressing mGluR1a
50004198	1	ChEBML_154856	Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver
50036421	3	ChEMBL_209388 (CHEMBL811320)	Ability to displace [3H]senktide succinyl-[Asp9MePhe8]-SP (6-13)} from Tachykinin receptor 3 of guinea pig cerebral cortex membrane
50006589	3	ChEMBL_5000 (CHEMBL621147)	Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R
50006589	1	ChEMBL_67042 (CHEMBL677880)	In vitro inhibitory activity against epidermal growth factor receptor
50006589	4	ChEMBL_160269 (CHEMBL767030)	Inhibition of Protein kinase C alpha
50006590	4	ChEMBL_31838 (CHEMBL641515)	Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]AB-MECA 21680 radioligand.
50006591	1	ChEMBL_149027 (CHEMBL756415)	Binding affinity towards competitive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase
50006591	3	ChEMBL_148911 (CHEMBL756148)	Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes
50006591	2	ChEMBL_149028 (CHEMBL759503)	Binding affinity towards non-competitive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase
50036422	4	ChEMBL_65469 (CHEMBL682109)	Binding affinity towards Endothelin A receptor in human neuroblastoma-derived cell line SK-N-MC membranes
50036422	3	ChEMBL_63534 (CHEMBL677447)	Binding affinity towards Endothelin B receptor in human girardi heart cell membranes
50006593	3	ChEMBL_196067 (CHEMBL803066)	Inhibitory activity against ryanodine receptor from mouse brain preparation
50006593	1	ChEMBL_196077 (CHEMBL873120)	Inhibitory activity against ryanodine receptor from rabbit muscle preparation
50006593	4	ChEMBL_196055 (CHEMBL803054)	Binding to ryanodine receptor in canine cardiac membranes.
50006596	3	ChEMBL_28666 (CHEMBL649064)	Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rabbit intestine
50006596	1	ChEMBL_28800 (CHEMBL641710)	Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver
50006598	3	ChEMBL_158375 (CHEMBL769576)	Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum
50006598	6	ChEMBL_158376 (CHEMBL769577)	Inhibitory activity was evaluated against Post-proline cleaving enzyme from bovine brain
50006598	7	ChEMBL_158381 (CHEMBL769582)	Inhibitory activity was evaluated against Post-proline cleaving enzyme from rat cortex
50006603	1	ChEMBL_62236 (CHEMBL877368)	Binding affinity of [3H]YM-09151 towards cloned mammalian Dopamine receptor D2 expressed in cultured cells or from rat whole brain
50006603	16	ChEMBL_60979 (CHEMBL671597)	Binding affinity of [3H]spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.
50006603	3	ChEMBL_62237 (CHEMBL674130)	Binding affinity of [3H]spiperone towards cloned mammalian Dopamine receptor D2 expressed in cultured cells or from rat whole brain
50006603	6	ChEMBL_60980 (CHEMBL671598)	Binding affinity of [3H]YM-09151 towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain
50004342	1	ChEBML_47077	Kinetic constants for the inactivation of Catechol O-methyltransferase by the compound
50036424	1	ChEMBL_205734 (CHEMBL809501)	Inhibition of Tachykinin receptor 1
50036424	5	ChEMBL_38305 (CHEMBL647109)	Binding affinity towards cloned human Beta-2 adrenergic receptor
50018107	1	ChEMBL_2264433	Inhibition of MAO-A (unknown origin)
50018107	2	ChEMBL_2264434	Inhibition of MAO-B (unknown origin)
50018107	3	ChEMBL_2264435	Inhibition of human AChE
50018107	4	ChEMBL_2264436	Inhibition of BuChE (unknown origin)
50018107	5	ChEMBL_2264437	Inhibition of LOX5 (unknown origin)
50036425	1	ChEMBL_70916 (CHEMBL684416)	Inhibition of [125I]glucagon binding towards Glucagon receptor
50006607	2	ChEMBL_145928 (CHEMBL752595)	Inhibition of binding [3H]U-69539 at Opioid receptor kappa 1 of guinea pig brain membrane (GPB) homogenates.
50006607	3	ChEMBL_146993 (CHEMBL753814)	Inhibition of binding [3H]DAMGO at Opioid receptor mu 1 of guinea pig brain membrane (GPB) homogenates.
50004394	1	ChEMBL_30781 (CHEMBL645058)	Ability to inhibit calf intestinal adenosine deaminase (ADA).
50006607	4	ChEMBL_146881 (CHEMBL751018)	Inhibition of binding [3H]cyclo[D-Pen2,p-Cl,-Phe4,D-Pen5] enkephalin to Opioid receptor delta 1 of guinea pig brain membrane (GPB) homogenates.
50006607	1	ChEMBL_146865 (CHEMBL752608)	Agonistic activity towards Opioid receptor delta 1 was determined by evaluating the inhibitory activity towards electrically stimulated mouse vas deferens
50036426	1	ChEMBL_90721 (CHEMBL701114)	Inhibitory activity against HIV-1 integrase
50036426	3	ChEMBL_90733 (CHEMBL701285)	Inhibitory activity against HIV-1 integrase
50006610	1	ChEMBL_29636 (CHEMBL639743)	Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane
50006610	2	ChEMBL_31067 (CHEMBL640427)	Radioligand binding assay for [3H]NECA affinity towards adenosine A2A receptor of rat striatum
50006613	2	ChEMBL_217078 (CHEMBL823474)	Inhibitory activity against Xanthine Oxidase
50006613	1	ChEMBL_217080 (CHEMBL823476)	Inhibitory activity against Xanthine Oxidase
50006614	5	ChEMBL_54121 (CHEMBL668279)	Inhibitory concentration against dihydrofolate reductase enzyme (DHFR) enzyme isolated from CCRF-CEM human leukemia cells. value mentioned is from literature
50036427	1	ChEMBL_160284 (CHEMBL769612)	Dissociation constant for Protein kinase C alpha
50036428	2	ChEMBL_144459 (CHEMBL755106)	In vitro inhibition of neutral endopeptidase
50041242	1	ChEMBL_48120 (CHEMBL661439)	Binding affinity against human Cholecystokinin type B receptor by displacement of [125I]CCK-8
50041242	4	ChEMBL_49891 (CHEMBL661733)	Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8
50041242	5	ChEMBL_49890 (CHEMBL661732)	Binding affinity against human Cholecystokinin type A receptor
50041242	3	ChEMBL_48119 (CHEMBL857084)	Binding affinity against human Cholecystokinin type B receptor
50041242	2	ChEMBL_49892 (CHEMBL661734)	Binding affinity against human Cholecystokinin type A receptor by the displacement of [125I]Bolton-Hunter CCK-8
50006649	4	ChEMBL_197231 (CHEMBL801377)	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma
50006649	2	ChEMBL_195821 (CHEMBL800285)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR beta
50006649	11	ChEMBL_196332 (CHEMBL801569)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR gamma
50006649	12	ChEMBL_196914 (CHEMBL807376)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR alpha
50006649	5	ChEMBL_195655 (CHEMBL796050)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta
50006649	10	ChEMBL_197081 (CHEMBL806010)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR beta
50006649	9	ChEMBL_195331 (CHEMBL877734)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR alpha
50006649	1	ChEMBL_197241 (CHEMBL803363)	Inhibition of [3H]9-cis-RA binding to Retinoid X receptor RXR gamma
50006649	7	ChEMBL_195302 (CHEMBL884092)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha
50006649	3	ChEMBL_196176 (CHEMBL804949)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma
50004464	2	ChEMBL_142786 (CHEMBL752161)	Inhibitory activity against Norepinephrine N-methyl-transferase of bovine adrenal glands
50004465	1	ChEBML_142789	The inhibitory constant(Ki) value for Norepinephrine N-methyl-transferase was calculated
50006649	6	ChEMBL_196903 (CHEMBL807187)	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha
50006649	8	ChEMBL_197074 (CHEMBL806662)	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta
50006650	16	ChEMBL_162574 (CHEMBL768516)	Inhibition of Protein kinase C alpha
50006650	15	ChEMBL_161145 (CHEMBL767413)	Inhibition of Protein kinase C gamma
50006650	9	ChEMBL_160604 (CHEMBL764575)	Inhibition of Protein kinase C beta 2
50006650	12	ChEMBL_161120 (CHEMBL770091)	Inhibition of Protein kinase C eta
50006650	10	ChEMBL_161459 (CHEMBL771067)	Inhibition of Protein kinase C zeta
50006650	6	ChEMBL_202768 (CHEMBL808764)	Inhibition of src kinase
50006650	1	ChEMBL_160642 (CHEMBL768252)	Inhibition of Protein kinase C delta
50006650	7	ChEMBL_160460 (CHEMBL761757)	Inhibition of Protein kinase C beta 1
50006650	4	ChEMBL_160950 (CHEMBL769112)	Inhibition of Protein kinase C epsilon
50006651	3	ChEMBL_195066 (CHEMBL797521)	Compound was tested for Inhibition of HIV-1 RT activity.
50036430	3	ChEMBL_155196 (CHEMBL763669)	Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung
50036431	1	ChEMBL_35265 (CHEMBL648571)	Binding affinity was determined against Angiotensin II receptor, type 1
50006658	6	ChEMBL_31878 (CHEMBL645668)	Inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1
50006658	3	ChEMBL_31879 (CHEMBL645669)	Inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1
50006658	7	ChEMBL_31877 (CHEMBL645667)	Conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1
50006658	4	ChEMBL_31876 (CHEMBL645666)	Ability to activate the conversion of [32P] ATP to [32P]-cyclic AMP mediated by adenylate cyclase 1
50006658	5	ChEMBL_31880 (CHEMBL645670)	Inhibition of [125 I]6-IHPP-forskolin binding to Adenylate cyclase 1
50036432	1	ChEMBL_201507 (CHEMBL805634)	Binding affinity against serotonin transporter using [3H]paroxetine in rat frontal cortex
50036432	3	ChEMBL_61831 (CHEMBL672594)	Binding affinity against Dopamine transporter using [3H]WIN-35 428 in rat striatum
50036432	5	ChEMBL_62332 (CHEMBL674426)	Ability to inhibition uptake of [2H]-Dopamine
50004526	1	ChEBML_152416	Inhibitory activity against phenylethanolamine N-methyl-transferase
50036432	2	ChEMBL_142943 (CHEMBL750795)	Binding affinity against Norepinephrine transporter using [3H]nisoxetine in midbrain of rat
50036432	4	ChEMBL_62327 (CHEMBL674266)	Ability to inhibit [3H]dopamine uptake into rat striatal synaptosomes
50006660	23	ChEMBL_63098 (CHEMBL674491)	Binding Affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand
50006660	3	ChEMBL_62247 (CHEMBL671579)	Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand
50006660	14	ChEMBL_62756 (CHEMBL674596)	Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand
50041243	8	ChEMBL_2776 (CHEMBL617771)	Binding affinity analysed towards 5-HT 2C in rat stomach fundus
50041243	4	ChEMBL_2774 (CHEMBL858023)	Binding affinity analysed on 5-HT 2C in human clone using [3H]mesulergine as radioligand
50041243	6	ChEMBL_2775 (CHEMBL617770)	Binding affinity analysed on 5-HT 2C in rat stomach fundus
50006667	2	ChEMBL_123515 (CHEMBL729176)	Affinity for recombinant Mineralocorticoid receptor
50006667	1	ChEMBL_44201 (CHEMBL654294)	Inhibition of 10e-9 M aldosterone activity in CV-1 cells expressing mineralocorticoid receptor
50006670	3	ChEMBL_104302 (CHEMBL709917)	The compound was tested for effect on second messenger formation in BHK cells expressing mGluR5a
50006670	2	ChEMBL_106226 (CHEMBL715053)	The compound was tested for inhibitory effect on second messenger formation in BHK cells expressing mGluR2
50006670	9	ChEMBL_105868 (CHEMBL717336)	The compound was tested for effect on second messenger formation in BHK cells expressing mGluR1a
50006670	8	ChEMBL_104305 (CHEMBL718125)	The compound was tested for inhibitory effect on second messenger formation in BHK cells expressing mGluR5a
50006670	1	ChEMBL_105872 (CHEMBL717923)	The compound was tested for inhibitory effect on second messenger formation in BHK cells expressing mGluR1a
50006670	7	ChEMBL_106224 (CHEMBL713619)	The compound was tested for effect on second messenger formation in BHK cells expressing mGluR2
50006670	6	ChEMBL_106703 (CHEMBL872015)	The compound was tested for inhibitory effect on second messenger formation in BHK cells expressing mGluR4a
50006670	4	ChEMBL_106702 (CHEMBL714004)	The compound was tested for effect on second messenger formation in BHK cells expressing mGluR4a
50036433	4	ChEMBL_42932 (CHEMBL876248)	Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.
50036433	1	ChEMBL_39446 (CHEMBL653022)	Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.
50036434	2	ChEMBL_215635 (CHEMBL820953)	Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.
50006677	5	ChEMBL_2284 (CHEMBL617070)	Antagonistic activity at cloned human 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand
50006677	7	ChEMBL_2959 (CHEMBL617899)	Agonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]DOI as radioligand
50006677	10	ChEMBL_2488 (CHEMBL617375)	Agonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as radioligand
50006679	1	ChEMBL_202113 (CHEMBL808971)	In vitro inhibition against rat microsomal squalene synthase (SS)
50036435	3	ChEMBL_30917 (CHEMBL647261)	Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes
50036435	2	ChEMBL_28835 (CHEMBL649101)	Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes
50036435	1	ChEMBL_31693 (CHEMBL645775)	Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells
50036435	4	ChEMBL_30485 (CHEMBL641437)	Binding affinity against rat Adenosine A3 receptor from CHO cells
50006683	4	ChEMBL_28624 (CHEMBL642294)	Inhibition of Acetylcholinesterase in human red blood cell
50006683	1	ChEMBL_27788 (CHEMBL637615)	Inhibition of Acetylcholinesterase in monkey red blood cell
50036437	1	ChEMBL_208545 (CHEMBL879195)	Inhibition of human alpha-thrombin.
50036437	2	ChEMBL_207991 (CHEMBL816074)	Inhibitory activity against thrombin induced platelet aggregation
50036439	2	ChEMBL_184412 (CHEMBL791514)	Inhibition of [3H]- RTX binding to vanilloid receptor of rat urinary bladder
50036439	5	ChEMBL_215636 (CHEMBL820954)	Displacement of [3H]RTX binding from Vanilloid receptor of rat dorsal Root Ganglion (DRG) membranes
50036439	4	ChEMBL_215633 (CHEMBL820792)	Inhibition of [3H]- RTX binding to Vanilloid receptors from human spinal cord
50036439	8	ChEMBL_215634 (CHEMBL820952)	Inhibition of [3H]- RTX binding to Vanilloid receptors from pig spinal cord
50036439	7	ChEMBL_87123 (CHEMBL697770)	Inhibitory constant for RTX binding to human spinal cord
50006702	8	ChEMBL_62559 (CHEMBL671490)	Binding affinity at Dopamine receptor D2 in rat striatal membrane by [3H]spiperone displacement.
50006702	1	ChEMBL_62401 (CHEMBL675726)	Binding affinity against Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]NPA binding assay
50006702	3	ChEMBL_62223 (CHEMBL670697)	Binding affinity against Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]NPA binding assay
50006702	12	ChEMBL_62560 (CHEMBL671491)	Compound was evaluated for their affinity against dopamine receptor D2 by displacing [3H]-spiperone in rat striatal membrane
50006706	8	ChEMBL_197383 (CHEMBL799702)	Transcriptional activation of Retinoic acid receptor RAR alpha
50006706	1	ChEMBL_196009 (CHEMBL798019)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR gamma
50006706	7	ChEMBL_196752 (CHEMBL879251)	Transcriptional ativation of Retinoid X receptor RXR alpha
50006706	6	ChEMBL_195476 (CHEMBL798153)	Transcriptional activation of Retinoic acid receptor RAR beta
50006706	12	ChEMBL_197058 (CHEMBL804834)	Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta
50006706	10	ChEMBL_197410 (CHEMBL799799)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR alpha
50006706	3	ChEMBL_195494 (CHEMBL798915)	Inhibition of [3H]ATRA binding to Retinoic acid receptor RAR beta
50006706	9	ChEMBL_197056 (CHEMBL804832)	Transcriptional activation of Retinoid X receptor RXR beta
50006706	4	ChEMBL_197218 (CHEMBL798966)	Inhibition of [3H]targretin binding to Retinoid X receptor RXR gamma
50006706	2	ChEMBL_197216 (CHEMBL798964)	Transcriptional activation of Retinoid X receptor RXR gamma
50036443	13	ChEMBL_142740 (CHEMBL884512)	The compound was tested on recombinant human alpha3-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	14	ChEMBL_142742 (CHEMBL751478)	The compound was tested on recombinant human alpha4-beta2 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	12	ChEMBL_142741 (CHEMBL751477)	The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	5	ChEMBL_142740 (CHEMBL884512)	The compound was tested on recombinant human alpha3-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	11	ChEMBL_138914 (CHEMBL744146)	Muscarinic acetylcholine receptor binding (rat cortical membranes) was determined by displacement of [3H]quinuclidinyl benzylate [3H]QNB)
50036443	15	ChEMBL_142745 (CHEMBL751264)	The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	17	ChEMBL_142605 (CHEMBL751144)	The compound was tested on recombinant human alpha-1-beta-1-gamma-delta cell lines of human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	16	ChEMBL_142738 (CHEMBL745042)	The compound was tested on recombinant human alpha2-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	18	ChEMBL_142739 (CHEMBL745043)	The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50036443	7	ChEMBL_142744 (CHEMBL751480)	The compound was tested on recombinant human alpha4-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functional potency
50006716	4	ChEMBL_50521 (CHEMBL661138)	Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes
50004632	1	ChEBML_257	Compound was tested for in vitro inhibition of 5,10-Methylene Tetrahydrofolate Cyclohydrolase, competitive against (+)-L-5,10-methenyltetrahydrofolate
50006716	2	ChEMBL_50522 (CHEMBL661139)	Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes
50006727	5	ChEMBL_58663 (CHEMBL670437)	Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate
50006727	1	ChEMBL_58508 (CHEMBL672003)	Affinity for Dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane
50036445	3	ChEMBL_37061 (CHEMBL652449)	Binding affinity against peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate using [3H]-PK 11195 as radioligand
50036445	1	ChEMBL_37038 (CHEMBL650834)	Inhibition of binding of [3H]-PK 11195 to peripheral-type benzodiazepine receptor (PBR) from rat cortex homogenate
50036445	4	ChEMBL_37054 (CHEMBL652443)	Displacement [3H]-PK 11195 from rat adrenal peripheral-type benzodiazepine receptor (PBR)
50036445	2	ChEMBL_37055 (CHEMBL652444)	Displacement of [3H]-Ro- 5-4864 from rat adrenal peripheral-type benzodiazepine receptor (PBR)
50041244	1	ChEMBL_54734 (CHEMBL667185)	Negative logarithm of inhibition constant (-log Ki) against Dihydrofolate reductase in Escherichia coli
50006749	8	ChEMBL_52401 (CHEMBL875705)	Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2
50004739	4	ChEMBL_152579 (CHEMBL759757)	In vitro inhibitory potency was measured against phenylethanolamine N-methyl-transferase
50006750	4	ChEMBL_156183 (CHEMBL760952)	Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.
50006750	3	ChEMBL_156184 (CHEMBL760953)	Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).
50004739	2	ChEMBL_152587 (CHEMBL759765)	Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency
50004739	3	ChEMBL_152576 (CHEMBL759754)	Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyl-transferase inhibitory potency
50006750	2	ChEMBL_156181 (CHEMBL760950)	Inhibition of recombinant human secretory Phospholipase A2 (s-PLA2)
50006750	1	ChEMBL_156182 (CHEMBL760951)	Inhibitory activity against recombinant human secretory Phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay(PC/DOC).
50004771	2	ChEMBL_30933 (CHEMBL647742)	Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined before heating
50006752	1	ChEMBL_29283 (CHEMBL640344)	Inhibition of [3H]-CHA binding to Adenosine A1 receptor in guinea pig heart
50036446	2	ChEMBL_40738 (CHEMBL652222)	Compound was tested for inhibition of Escherichia coli AmpC, class C of Beta-lactamase
50036446	29	ChEMBL_153668 (CHEMBL758012)	Compound was tested for inhibition of Penicillin-binding protein 3 from Escherichia coli.
50036446	19	ChEMBL_40258 (CHEMBL656488)	Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase
50036446	18	ChEMBL_153530 (CHEMBL763470)	Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.
50036446	7	ChEMBL_41030 (CHEMBL651934)	Compound was tested for inhibition of Pseudomonas aeruginosa 18SH, class C of Beta-lactamase
50036446	34	ChEMBL_153659 (CHEMBL762724)	Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae
50004811	2	ChEBML_68594	Percent displacement of [3H]GABA at Gamma-aminobutyric acid receptor in rat brain membranes at 0.01 uM
50036446	4	ChEMBL_41017 (CHEMBL655035)	Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SH
50036446	31	ChEMBL_41193 (CHEMBL653459)	Compound was tested for inhibition of Beta-lactamase from OXA-1
50036446	17	ChEMBL_153661 (CHEMBL757853)	Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae
50036446	38	ChEMBL_41195 (CHEMBL653461)	Compound was tested for inhibition of Beta-lactamase from RTEM-1
50036446	40	ChEMBL_40412 (CHEMBL652627)	Compound was tested for inhibition of Beta-lactamase from Enterobacter cloacae 908R
50036446	16	ChEMBL_41196 (CHEMBL653462)	Compound was tested for inhibition of Beta-lactamase from RTEM-2
50036446	1	ChEMBL_41016 (CHEMBL655034)	Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa MK-1184
50036446	6	ChEMBL_153655 (CHEMBL762720)	Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).
50036446	11	ChEMBL_153671 (CHEMBL757153)	Compound was tested for inhibition of Penicillin-binding protein 3 from Staphylococcus aureus (Schoch).
50036446	3	ChEMBL_41214 (CHEMBL652850)	Compound was tested for inhibition of Beta-lactamase fromOXA-2
50036446	49	ChEMBL_41211 (CHEMBL652847)	Compound was tested for inhibition of Beta-lactamase from RTEM-2
50036446	22	ChEMBL_41210 (CHEMBL652846)	Compound was tested for inhibition of Beta-lactamase from RTEM-1
50036446	15	ChEMBL_40411 (CHEMBL652626)	Compound was tested for inhibition of Beta-lactamase from Ent. cloacae 6300
50036446	26	ChEMBL_41209 (CHEMBL652845)	Compound was tested for inhibition of Beta-lactamase from PSE-1
50036446	32	ChEMBL_41208 (CHEMBL652844)	Compound was tested for inhibition of Beta-lactamase from OXA-1
50036446	33	ChEMBL_153658 (CHEMBL762723)	Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae
50036446	28	ChEMBL_41212 (CHEMBL652848)	Compound was tested for inhibition of Beta-lactamase from RTEM-3
50036446	46	ChEMBL_153657 (CHEMBL762722)	Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).
50036446	44	ChEMBL_40250 (CHEMBL654930)	Compound was tested for inhibition of Beta-lactamase from Bacteroides fragilis 98
50036446	42	ChEMBL_40254 (CHEMBL655831)	Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982
50006757	1	ChEMBL_33158 (CHEMBL642943)	Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]prazosin binding assay in rat brain membranes
50006757	3	ChEMBL_2578 (CHEMBL617600)	Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]ketanserin binding assay in rat cortical membranes
50006757	2	ChEMBL_58553 (CHEMBL667488)	Binding affinity to dopamine receptor D2 using a [3H]-spiperone binding assay in rat cortical membranes
50006760	2	ChEMBL_99482 (CHEMBL704370)	Compound was evaluated for Leukotriene B4 receptor binding, obtained from radioligand binding assay using guinea pig spleen cell membrane
50006760	1	ChEMBL_99515 (CHEMBL707239)	Compound was evaluated for LTB4 receptor binding, obtained from radioligand binding assay using human intact neutrophils PMN
50006766	3	ChEMBL_99652 (CHEMBL709310)	Inhibitory concentration against LTB4 with [3H]- fMLP in receptor binding assay
50006766	2	ChEMBL_99651 (CHEMBL709309)	Inhibitory concentration LTB4 with [3H]LTD4 in LTD4 receptor binding assay
50036448	1	ChEMBL_201224 (CHEMBL801200)	Inhibition of [3H]citalopram binding to the serotonin transporter in the cynomolgus (macaca fascicularis) monkey caudate-putamen.
50036448	2	ChEMBL_61354 (CHEMBL673256)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter in the cynomolgus (macaca fascicularis) monkey caudate-putamen.
50006384	3	ChEMBL_29477 (CHEMBL640470)	Tested for the displacement [3H]PIA from Adenosine A1 receptor in rat brain membrane
50006384	1	ChEMBL_31060 (CHEMBL641344)	Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane.
50006384	4	ChEMBL_30487 (CHEMBL641439)	Displacement of [125I]AB-MECA from rat Adenosine A3 receptor expressed in CHO cell membrane
50006392	1	ChEMBL_34783 (CHEMBL646224)	In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.
50004848	1	ChEMBL_202111 (CHEMBL808969)	Inhibition of rat microsomal squalene synthase
50004850	1	ChEMBL_154486 (CHEMBL765263)	The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase).
50036449	2	ChEMBL_62624 (CHEMBL678246)	In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.
50036449	3	ChEMBL_143121 (CHEMBL748003)	In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.
50036449	1	ChEMBL_201996 (CHEMBL809441)	In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.
50006402	26	ChEMBL_193312 (CHEMBL806826)	Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation
50006402	24	ChEMBL_140052 (CHEMBL745869)	Inhibitory activity against [3H]N-methyl-scopolamine binding to Muscarinic acetylcholine receptor M2 in rat cerebellum
50004852	2	ChEMBL_50719 (CHEMBL666798)	Tested for inhibition of human placental Cytochrome P450 19A1
50006402	34	ChEMBL_138906 (CHEMBL744138)	Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn
50006402	4	ChEMBL_145930 (CHEMBL752596)	Inhibitory activity against [3H]bremazocine binding to kappa opioid receptor in guinea pig cerebellum
50006769	4	ChEMBL_46976 (CHEMBL658878)	Ability to bind with Cannabinoid receptor 2 using [H]CP-55940 as radioligand from cloned human receptor preparation
50006769	5	ChEMBL_46633 (CHEMBL658889)	Ability to bind with Cannabinoid receptor 1 using [H]CP-55940 as radioligand in rat brain membranes
50036451	2	ChEMBL_158005 (CHEMBL768431)	Inhibitory concentration against Prostaglandin H2 synthase 1 (PGHS-1) from ram seminal vesicle
50006777	4	ChEMBL_3965 (CHEMBL618063)	Inhibition of 5-lipoxygenase catalysis in rat basophilic leukemia (RBL) cells by measuring 5-HETE product formation
50006777	9	ChEMBL_3804 (CHEMBL619879)	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) induced LTB4 formation in human whole blood
50006777	8	ChEMBL_3803 (CHEMBL619878)	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) induced LTB4 formation in human polymorphonuclear leukocytes.
50006777	6	ChEMBL_3920 (CHEMBL619923)	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) induced LTB4 formation in rat polymorphonuclear leukocytes
50036452	1	ChEMBL_3826 (CHEMBL618012)	Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxygenase
50006782	1	ChEMBL_105871 (CHEMBL717922)	Inhibitory concentration for half maximal inhibition of PI hydrolysis (mGluR1a)
50006782	2	ChEMBL_105867 (CHEMBL717335)	Effective concentration for half maximal stimulation of PI hydrolysis (mGluR1a)
50036454	1	ChEMBL_1124 (CHEMBL616069)	Binding affinity against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]8-OH-DPAT as radioligand
50036455	1	ChEMBL_2272 (CHEMBL617058)	Inhibitory concentration against human 5-HT2A receptor in BEK cells
50036455	7	ChEMBL_61013 (CHEMBL675018)	Inhibitory concentration against human Dopamine receptor D4.2 in CHO cells
50036455	6	ChEMBL_61152 (CHEMBL670688)	Binding affinity towards human Dopamine receptor D4.2 in CHO cells
50036455	2	ChEMBL_2297 (CHEMBL617082)	Binding affinity towards human 5-HT2A receptor in BEK cells
50036455	9	ChEMBL_61150 (CHEMBL670687)	Binding affinity against human Dopamine receptor D4.2 in CHO cells
50006790	3	ChEMBL_43853 (CHEMBL658514)	Compound was evaluated for the inhibition of Cysteine protease Calpain 2
50006791	2	ChEMBL_92776 (CHEMBL700076)	Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle
50006791	3	ChEMBL_92777 (CHEMBL700077)	Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle
50036456	3	ChEMBL_47816 (CHEMBL660030)	Binding affinity towards Cholecystokinin type B receptor was determined in guinea pig cortex using [3H]SNF8702 as radioligand
50036456	1	ChEMBL_146981 (CHEMBL757520)	Binding affinity towards Opioid receptor mu 1 was determined in guinea pig whole brain using [3H]CTOP radioligand
50036456	2	ChEMBL_146872 (CHEMBL857683)	Binding affinity towards Opioid receptor delta 1 was determined in guinea pig whole brain using [3H][4''-Cl-Phe4]-DPDPE as radioligand
50036456	4	ChEMBL_49572 (CHEMBL661826)	Binding affinity towards Cholecystokinin type A receptor was determined in guinea pig pancreatic membranes using [125I]-BH-CCK-8 as radioligand
50006795	1	ChEMBL_157546 (CHEMBL764930)	Binding affinity towards HIV protease was determined
50036457	3	ChEMBL_201518 (CHEMBL807135)	Binding potency for Serotonin transporter using [3H]- paroxetine
50036457	2	ChEMBL_61848 (CHEMBL670035)	Inhibition of [3H]WIN-35428 binding to Dopamine transporter
50036457	1	ChEMBL_142948 (CHEMBL750800)	Binding potency for Norepinephrine transporter using [3H]NE
50036459	1	ChEMBL_195256 (CHEMBL872978)	Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.
50006802	4	ChEMBL_89807 (CHEMBL698525)	Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at pH 8.0
50018107	6	ChEMBL_2264438	Inhibition of LOX15 (unknown origin)
50018107	7	ChEMBL_2264441	Inhibition of BACE-1(unknown origin)
50018107	8	ChEMBL_2264442	Inhibition of COX2 (unknown origin)
50018107	9	ChEMBL_2264444	Inhibition of recombinant human MAO-A using kynuramine as substrate preincubated for 10 mins followed by enzyme addition and measured after 20 mins by fluorescent microplate reader analysis
50018107	10	ChEMBL_2264446	Inhibition of MAO-A (unknown origin) by fluorescence spectrophotometer analysis
50018107	11	ChEMBL_2264447	Inhibition of MAO-B (unknown origin) by fluorescence spectrophotometer analysis
50036460	2	ChEMBL_29480 (CHEMBL640473)	Displacement of [3H]CHA from Adenosine A1 receptor of rat brain
50036460	1	ChEMBL_31064 (CHEMBL641348)	Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum.
50036460	3	ChEMBL_28389 (CHEMBL875517)	Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria
50036460	4	ChEMBL_30899 (CHEMBL645502)	Vasorelaxation as Adenosine A2A receptor activity in rat aorta
50004860	5	ChEMBL_72492 (CHEMBL685525)	Inhibition of binding to Growth factor receptor bound protein 2 SH2 domain
50004860	3	ChEMBL_202790 (CHEMBL808044)	Inhibitory activity against Src protein tyrosine kinase SH2 domain
50004860	4	ChEMBL_198724 (CHEMBL805163)	Inhibitory activity against SH2 domain of SH-PTP2 (N-terminal) binding
50036461	4	ChEMBL_61782 (CHEMBL670536)	Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.
50036461	2	ChEMBL_62265 (CHEMBL675667)	Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.
50036461	1	ChEMBL_61153 (CHEMBL670689)	Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.
50004865	7	ChEMBL_64010 (CHEMBL671391)	Inhibitory effect against porcine Endothelin B receptor
50004865	6	ChEMBL_63701 (CHEMBL672254)	Inhibitory effect against Human Endothelin B receptor
50036461	3	ChEMBL_61649 (CHEMBL670173)	Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells
50004865	1	ChEMBL_65497 (CHEMBL682970)	Inhibitory effect against Human ET-A receptor
50004865	5	ChEMBL_65806 (CHEMBL679709)	Inhibitory effect against porcine ET-A receptor
50004865	2	ChEMBL_65498 (CHEMBL682971)	Inhibitory effect against Human Endothelin A receptor
50036462	2	ChEMBL_62239 (CHEMBL671571)	Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.
50036462	1	ChEMBL_58656 (CHEMBL670430)	Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.
50004869	2	ChEMBL_58345 (CHEMBL884445)	The compound was tested for the binding affinity against Dopamine receptor D1 activity is expressed as IC50 values.
50006810	14	ChEMBL_39466 (CHEMBL653041)	Binding affinity against peripheral benzodiazepine receptor( PBR).
50006810	6	ChEMBL_39455 (CHEMBL653030)	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)
50006810	4	ChEMBL_39461 (CHEMBL653036)	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (type 1)
50006810	13	ChEMBL_39464 (CHEMBL653039)	Displacement of [3H]Ro-5-4864 from rat kidney peripheral benzodiazepine receptor
50006810	3	ChEMBL_39458 (CHEMBL653033)	Displacement of [3H]PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 1)
50006810	5	ChEMBL_39456 (CHEMBL653031)	Displacement of [3H]Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor
50006810	9	ChEMBL_39454 (CHEMBL653029)	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)
50006810	8	ChEMBL_39463 (CHEMBL653038)	Displacement of [3H]Ro-5-4864 from rat cerebral cortex peripheral benzodiazepine receptor
50006810	1	ChEMBL_39459 (CHEMBL653034)	Displacement of [3H]PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)
50006810	10	ChEMBL_39453 (CHEMBL856066)	Displacement of [3H]PK11195 from rat cerebral cortex peripheral benzodiazepine receptor (type 2)
50006811	1	ChEMBL_59317 (CHEMBL670211)	Displacement of [3H]SDZ-205-501 from Dopamine receptor D2 in calf caudate nucleus.
50006811	8	ChEMBL_1772 (CHEMBL616556)	Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSB
50006811	6	ChEMBL_60193 (CHEMBL879565)	Displacement of [3H]raclopride from Dopamine receptor D1 of calf striatum
50006811	7	ChEMBL_839 (CHEMBL615839)	Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB)
50006811	3	ChEMBL_3400 (CHEMBL619646)	Compound was evaluated for binding affinity on 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding
50006812	2	ChEMBL_160748 (CHEMBL769062)	Binding affinity for HIV-1 protease
50006812	1	ChEMBL_160750 (CHEMBL769064)	Inhibitory activity against HIV-1 protease
50004870	3	ChEMBL_92797 (CHEMBL703975)	Calcium antagonistic activity by measuring [3H]nitrendipine displacement from rat heart L-type [Ca2+] channel
50006814	1	ChEMBL_204436 (CHEMBL811229)	Inhibition of human testicular steroid 17-alpha-hydroxylase
50006814	2	ChEMBL_50517 (CHEMBL661134)	Inhibition of human testicular 17-alpha-hydroxylase
50006815	2	ChEMBL_54454 (CHEMBL669308)	compound was evaluated for the inhibitory activity against Dihydrofolate reductase in permeabilised L1210 cells.
50006821	1	ChEMBL_28664 (CHEMBL649062)	Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes
50004871	1	ChEMBL_99490 (CHEMBL704378)	Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]LTB4 as radioligand
50036465	5	ChEMBL_31329 (CHEMBL644882)	Inhibition of Aldehyde reductase 2
50006823	4	ChEMBL_60222 (CHEMBL672183)	Displacement of [3H]quinpirole from Dopamine receptor D2
50006823	2	ChEMBL_60223 (CHEMBL672184)	Inhibition of [3H]raclopride binding to Dopamine receptor D2
50006823	1	ChEMBL_60224 (CHEMBL672794)	Inhibition of [3H]raclopride binding to Dopamine receptor D2
50006857	4	ChEMBL_1061 (CHEMBL616386)	Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice.
50006857	1	ChEMBL_58195 (CHEMBL670363)	Inhibitory activity against Dopamine receptor D2 from mice
50006857	3	ChEMBL_58196 (CHEMBL670364)	Inhibition of mouse Dopamine receptor D2
50036473	5	ChEMBL_61855 (CHEMBL670042)	Binding affinity against dopamine transporter using radioligand as [3H]GBR 12935
50036473	2	ChEMBL_61988 (CHEMBL670593)	Inhibition of dopamine DA reuptake
50036473	3	ChEMBL_61858 (CHEMBL671002)	Binding against Dopamine transporter using radioligand as [3H]GBR 12935
50036473	7	ChEMBL_61980 (CHEMBL670585)	Compound was tested for binding against Dopamine transporter using radioligand as [3H]-RTI 55
50006859	1	ChEMBL_687 (CHEMBL616270)	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expressed in HEK 293 cells
50006859	11	ChEMBL_1993 (CHEMBL617596)	Compound was tested for binding affinity against human 5-hydroxytryptamine 1D receptor alpha clones expressed in human embryonic kidney (HEK 293) cells line.
50006859	6	ChEMBL_2033 (CHEMBL616867)	Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.
50006859	13	ChEMBL_2020 (CHEMBL617315)	Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.
50006859	12	ChEMBL_2021 (CHEMBL617316)	Compound was tested for binding affinity against human 5-hydroxytryptamine 1D receptor beta clones expressed in human embryonic kidney (HEK 293) cells line.
50006859	2	ChEMBL_60229 (CHEMBL672798)	Binding affinity for rat dopamine D2 receptor expressed in CHO-K1 cells
50006859	9	ChEMBL_1991 (CHEMBL617594)	Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.
50004873	1	ChEMBL_144433 (CHEMBL753643)	Inhibition of [125I]- NGF binding to extracellular domain of p75 receptor
50004874	4	ChEMBL_155063 (CHEMBL764381)	In vitro Enzyme Inhibitory activity measured against Plasmin
50004874	2	ChEMBL_212346 (CHEMBL816793)	In vitro Enzyme Inhibitory activity measured against Trypsin
50004874	5	ChEMBL_208051 (CHEMBL812493)	In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).
50004874	3	ChEMBL_210582 (CHEMBL816532)	In vitro Enzyme Inhibitory activity measured against Thrombin
50004874	1	ChEMBL_48475 (CHEMBL663037)	In vitro Enzyme Inhibitory activity measured against Coagulation factor X
50006859	14	ChEMBL_2001 (CHEMBL617094)	Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor alpha measured as the reduction of forskolin-stimulated cAMP.
50006859	15	ChEMBL_2000 (CHEMBL617093)	Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.
50006859	5	ChEMBL_2032 (CHEMBL616866)	Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.
50006859	7	ChEMBL_2002 (CHEMBL617095)	Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.
50036475	1	ChEMBL_62655 (CHEMBL679190)	Binding affinity against dopamine transporter in rat caudate putamen tissue using [3H]WIN-35428 radioligand.
50036475	2	ChEMBL_62656 (CHEMBL679191)	Binding affinity against dopamine transporter in rat caudate putamen tissue using [3H]WIN-35428 radioligand. (from other reference)
50006872	2	ChEMBL_201810 (CHEMBL806804)	Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane
50004880	1	ChEMBL_209616 (CHEMBL817510)	Inhibitory activity against thymidylate Synthase from human recombinant sources
50006872	3	ChEMBL_141147 (CHEMBL749665)	Percentage inhibition of N-methyl-D-aspartic acid (NMDA) receptor produced by oocytes
50036477	1	ChEMBL_144168 (CHEMBL748943)	Binding affinity of Norditerpenoid Alkaloids at rat neuronal alpha7-type nicotinic acetylcholine receptor
50004885	1	ChEMBL_4307 (CHEMBL618416)	Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane preparations
50004887	3	ChEMBL_195769 (CHEMBL803434)	Evaluation of inhibitory activity against human renin.
50004887	2	ChEMBL_195768 (CHEMBL803433)	Evaluation of inhibitory activity against human renin
50004888	2	ChEMBL_159606 (CHEMBL760088)	In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).
50006876	1	ChEMBL_208 (CHEMBL615242)	Inhibitory activity against conversion of [1-14C]arachidonic acid to 12-HPETE and its reduction product 12-HETE by porcine leukocyte type 12-lipoxygenase
50036478	1	ChEMBL_209251 (CHEMBL815692)	Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay
50036478	2	ChEMBL_209254 (CHEMBL815695)	Concentration required to inhibit agonist (SFFLRR-NH2, at 3 uM) induced platelet aggregation by 50%
50004890	6	ChEMBL_149047 (CHEMBL761402)	Binding affinity was evaluated by measuring the displacement of [3H]OT (oxytocin) from specific binding sites in uterine tissue obtained from human
50004890	9	ChEMBL_215018 (CHEMBL818999)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in kidney medulla obtained from rats.
50004890	3	ChEMBL_149048 (CHEMBL761403)	Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human. 
50004890	2	ChEMBL_214565 (CHEMBL818691)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in rat liver.
50004890	7	ChEMBL_214418 (CHEMBL820282)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in human platelets.
50004890	5	ChEMBL_214564 (CHEMBL820181)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in rat liver
50004890	11	ChEMBL_149180 (CHEMBL762743)	Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats
50004890	10	ChEMBL_215017 (CHEMBL818375)	Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtained from rats
50004890	4	ChEMBL_214845 (CHEMBL824687)	Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtained from early postmortem human donors
50004890	8	ChEMBL_214417 (CHEMBL820281)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in human platelets
50004890	1	ChEMBL_214846 (CHEMBL824688)	Binding affinity was evaluated by measuring the displacement of [3H]AVP (arginine vasopressin) from specific binding sites in kidney medulla obtained from early postmortem human donors.
50004891	1	ChEMBL_30934 (CHEMBL647743)	Inhibitory potency was determined by competitive inhibition of Adenosine deaminase
50036478	5	ChEMBL_209243 (CHEMBL814870)	Effective concentration for stimulation of platelet aggregation
50004896	1	ChEMBL_63765 (CHEMBL677207)	In vitro inhibition of intrinsic tyrosine protein kinase activity of the Epidermal growth factor receptor using tripeptide RR-Src
50004896	2	ChEMBL_63766 (CHEMBL677208)	Inhibition of Epidermal growth factor receptor activity against tripeptide RR-Src at 10 uM
50004900	4	ChEMBL_55121 (CHEMBL665447)	Inhibitory activity against dihydrofolate reductase in rat liver.
50004900	10	ChEMBL_55120 (CHEMBL665446)	Inhibitory activity against dihydrofolate reductase in rat. 
50004900	3	ChEMBL_55122 (CHEMBL665448)	Inhibitory activity against dihydrofolate reductase in rat.
50004900	2	ChEMBL_52871 (CHEMBL666230)	Inhibitory activity against dihydrofolate reductase in mammalians. (high potency)
50004902	4	ChEMBL_195325 (CHEMBL799720)	Binding constant for baculovirus-expressed Retinoic acid receptor RAR alpha
50004902	5	ChEMBL_195197 (CHEMBL798387)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha
50004902	7	ChEMBL_196912 (CHEMBL807374)	Relative activity against Retinoid X receptor RXR-alpha compared to 9-cis-RA
50004902	3	ChEMBL_196173 (CHEMBL804946)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma
50004902	6	ChEMBL_195652 (CHEMBL796047)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta
50036478	7	ChEMBL_209253 (CHEMBL815694)	Concentration of compound required to inhibit agonist (SFFLRR-NH2, at 18 uM) induced platelet aggregation by 50%
50006880	1	ChEMBL_160291 (CHEMBL769619)	Displacement of [3H-20] phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha
50006880	2	ChEMBL_160290 (CHEMBL769618)	Displacement of [3H-20] phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha
50006881	1	ChEMBL_1596 (CHEMBL616623)	Inhibition of forskolin-stimulated c-AMP formation by human 5-hydroxytryptamine 1B receptor expressed in CHO-K1 cells
50006881	2	ChEMBL_1353 (CHEMBL616538)	Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1B receptor in CHO-K1 cells
50036480	1	ChEMBL_826 (CHEMBL615826)	Binding affinity towards rat 5-hydroxytryptamine 1A receptor was evaluated using [3H]8-OH-DPAT as radioligand
50036480	3	ChEMBL_58563 (CHEMBL667498)	Binding affinity towards rat Dopamine receptor D2 was evaluated using [3H]- spiroperidol as radioligand
50006883	9	ChEMBL_61854 (CHEMBL670041)	Compound was tested for Inhibition of [3H]dopamine uptake at the dopamine transporter in rat strial tissue
50006883	6	ChEMBL_61983 (CHEMBL670588)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat brain
50006883	4	ChEMBL_61987 (CHEMBL670592)	Inhibition of [3H]dopamine uptake at the dopamine transporter in rat striatal tissue
50006883	3	ChEMBL_61986 (CHEMBL670591)	Compound was tested for inhibition of [3H]dopamine uptake at the dopamine transporter in rat strial tissue
50006883	5	ChEMBL_61982 (CHEMBL670587)	Compound was tested for inhibition of [3H]WIN-35428 binding at the dopamine transporter in brain from guinea pig striatal membrane
50042211	2	ChEMBL_30133 (CHEMBL641175)	Inhibition of alphaIIb-beta3 integrin
50006894	3	ChEMBL_196179 (CHEMBL804952)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma
50006894	4	ChEMBL_195795 (CHEMBL802395)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta
50006894	1	ChEMBL_195328 (CHEMBL857604)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR alpha
50006894	7	ChEMBL_195817 (CHEMBL799666)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta
50006896	1	ChEMBL_4166 (CHEMBL619233)	Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay.
50036482	2	ChEMBL_28124 (CHEMBL644382)	Inhibitory activity against Acetylcholinesterase
50004905	1	ChEMBL_122945 (CHEMBL733230)	In vitro inhibitory activity against rat brain Monoamine oxidase A
50004905	2	ChEMBL_123927 (CHEMBL729461)	In vitro inhibitory activity against rat brain Monoamine oxidase B
50004905	3	ChEMBL_123922 (CHEMBL729456)	Compound was evaluated for the Inhibition of Monoamine oxidase B
50004906	1	ChEMBL_208660 (CHEMBL813320)	Inhibition of [3H]SP binding in rat brain membranes
50006900	1	ChEMBL_393 (CHEMBL615643)	Inhibition of human rhinovirus 3C protease
50004907	2	ChEMBL_35272 (CHEMBL648577)	Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive
50006904	4	ChEMBL_156218 (CHEMBL767160)	Compound was tested for the inhibitory activity against human pancreatic PLA2
50006904	2	ChEMBL_156219 (CHEMBL767819)	Inhibitory activity against human pancreatic Phospholipase A2
50006904	5	ChEMBL_156192 (CHEMBL761443)	Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assay
50006904	1	ChEMBL_156354 (CHEMBL761684)	Inhibitory activity against porcine pancreatic Phospholipase A2
50006905	3	ChEMBL_156189 (CHEMBL761440)	Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic assay
50006905	5	ChEMBL_156188 (CHEMBL761439)	Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assay
50004909	1	ChEMBL_157198 (CHEMBL768611)	Inhibition of human Phosphodiesterase 4B
50004912	1	ChEMBL_1094 (CHEMBL616417)	Binding affinity of 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand.
50041249	1	ChEMBL_38119 (CHEMBL650074)	Binding affinity of compound towards Benzodiazepine receptor in a competition assay
50004913	3	ChEMBL_217624 (CHEMBL820367)	Binding affinity against integrin alpha v-beta5 in enzyme linked immunosorbent assay (ELISA)
50006915	1	ChEMBL_195079 (CHEMBL797533)	In vitro for inhibition of HIV-1 reverse transcriptase.
50036484	1	ChEMBL_155146 (CHEMBL760187)	Inhibiting Platelet activating factor receptor by radioreceptor binding assay using rabbit platelets and [3H]-PAF
50036485	5	ChEMBL_34648 (CHEMBL649707)	Inhibition of Angiotensin II receptor, type 1
50036485	6	ChEMBL_34650 (CHEMBL649709)	Inhibitory activity was evaluated against angiotensin II type 1 rabbit aorta
50004919	8	ChEMBL_142507 (CHEMBL748575)	Compound was evaluated for the inhibition of binding of [3H]glycine to NMDA receptor
50036485	14	ChEMBL_34646 (CHEMBL647291)	Inhibitory activity against Angiotensin II receptor, type 1 in rabbit aorta
50036485	11	ChEMBL_36782 (CHEMBL650303)	In vitro antagonistic potency against Angiotensin II receptor, type 1 in guinea pig adrenal membrane
50036485	18	ChEMBL_34649 (CHEMBL649708)	Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in rabbit aorta
50004919	3	ChEMBL_140330 (CHEMBL749576)	Compound was evaluated for the inhibition of binding of [3H]glycine to NMDA receptor
50036485	25	ChEMBL_34659 (CHEMBL649718)	Inhibitory activity against Angiotensin II receptor, type 1 in rat adrenal membrane
50036485	20	ChEMBL_34657 (CHEMBL649716)	Binding affinity was evaluated towards Angiotensin II receptor, type 1 in rabbit aorta
50006452	2	ChEMBL_70656 (CHEMBL678646)	The Dissociation Constant for Gamma-amino-N-butyrate transaminase
50006457	3	ChEMBL_205413 (CHEMBL812236)	Inhibitory activity against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligand
50018107	12	ChEMBL_2264449	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50018107	13	ChEMBL_2264450	Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50004923	1	ChEMBL_143198 (CHEMBL747336)	Affinity to NK3 receptors assayed by displacement of [125I]-Bolton-Hunter labeled eledoisin radioligand
50004923	2	ChEMBL_143045 (CHEMBL750294)	The inhibitory concentration against rat neurokinin-1 receptor
50018107	14	ChEMBL_2264451	Inhibition of recombinant human BACE-1 expressed in baculovirus using Rh-EVNLDAEFK-Quencher as substrate incubated for 60 mins by FRET assay
50006459	4	ChEMBL_146983 (CHEMBL873627)	Compound was evaluated for its inhibitory activity towards Opioid receptor mu 1 of guinea pig ileum (GPI)
50036487	1	ChEMBL_31061 (CHEMBL641345)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat striatal homogenates
50036487	2	ChEMBL_29478 (CHEMBL640471)	Displacement of [3H]CHA from Adenosine A1 receptor in rat brain homogenates
50036487	3	ChEMBL_30486 (CHEMBL641438)	Displacement of [125I]AB-MECA from cloned rat Adenosine A3 receptor in stably transfected CHO cells
50006487	1	ChEMBL_143828 (CHEMBL748713)	Compound was tested for the displacement of [125I]-PYY (SK-N-MC) from Neuropeptide Y receptor type 1 in the membranes prepared from cells
50006487	2	ChEMBL_143850 (CHEMBL747207)	Compound was tested for the displacement of [125I]-PYY(3-36) (SK-N-BE2) from Neuropeptide Y receptor type 2 in the membranes prepared from cells
50036578	43	ChEMBL_216978 (CHEMBL822795)	Functional potency for nAChR subtype Alpha-1-beta-1-delta gamma(torpedo)
50006491	3	ChEMBL_52076 (CHEMBL666526)	Inhibitory activity against Steroidgenic Cytochrome P450 C18 using Bovine adrenal mitochondria.
50006491	4	ChEMBL_50388 (CHEMBL662844)	In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.
50006491	1	ChEMBL_50705 (CHEMBL661699)	In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.
50006492	1	ChEMBL_50056 (CHEMBL662425)	Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type A receptor in pancreatic tissue
50006492	2	ChEMBL_47830 (CHEMBL662572)	Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in guinea pig cortical membranes
50006494	5	ChEMBL_146367 (CHEMBL759287)	Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]U-65693 as radioligand
50006494	1	ChEMBL_145152 (CHEMBL755956)	Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain
50006494	2	ChEMBL_147020 (CHEMBL756222)	Binding affinity against Opioid receptor delta 1 using [3H]DADLE as radioligand in guinea pig brain
50006494	6	ChEMBL_147023 (CHEMBL753664)	Binding affinity against delta Opioid receptor delta 1 using [3H]DADLE as radioligand in guinea pig brain
50006503	2	ChEMBL_63356 (CHEMBL679120)	Inhibitory activity was evaluated against ET- A Binding to Endothelin A receptor in MMQ cell homogenates
50006503	1	ChEMBL_64007 (CHEMBL671388)	Inhibitory activity was evaluated against ET- B Binding to Endothelin B receptor from porcine cerebellar membranes
50006568	2	ChEMBL_216403 (CHEMBL820116)	Binding affinity towards fMLF receptor using human neutrophils
50006568	1	ChEMBL_88340 (CHEMBL699999)	Antagonistic activity was determined by measuring the ability to inhibit superoxide production (stimulated by fMLF) using human neutrophils
50006568	3	ChEMBL_88336 (CHEMBL696696)	Agonistic activity was determined by measuring the ability to induce superoxide production(as measured by reduction of cytochrome C) using human neutrophils
50004928	3	ChEMBL_143202 (CHEMBL752219)	Tested for the biological activity and selectivity against NK-3 receptor
50004928	2	ChEMBL_143047 (CHEMBL750296)	Tested for the biological activity and selectivity against NK-1 receptor
50004928	1	ChEMBL_143189 (CHEMBL749851)	Tested for the biological activity and selectivity against NK-2 receptor
50004931	1	ChEMBL_143026 (CHEMBL857542)	Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand
50006569	1	ChEMBL_195516 (CHEMBL800584)	Inhibitory activity against HIV-RT
50006573	6	ChEMBL_63702 (CHEMBL672255)	Radioligand binding selectivity to human Endothelin B receptor in chinese hamster ovary cells
50006573	4	ChEMBL_65653 (CHEMBL678073)	Inhibitory activity against human Endothelin A receptor in chinese hamster ovary cells
50006581	1	ChEMBL_63975 (CHEMBL677601)	Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.
50006584	2	ChEMBL_146879 (CHEMBL750006)	Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid receptor of guinea pig brain plasma membrane homogenates
50006584	1	ChEMBL_145923 (CHEMBL752591)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of plasma membrane homogenates of guinea pig brain
50006584	4	ChEMBL_146987 (CHEMBL757525)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of guinea pig brain membrane homogenates
50004933	1	ChEMBL_60887 (CHEMBL673534)	Tested for inhibition of cell adhesion of HL-60 containing SLeX to purified recombinant human E-selectin
50004941	1	ChEMBL_143031 (CHEMBL751903)	In vitro binding affinity against substance P (NK-1) receptor in human IM-9 cell using [125I]BH-SP
50004943	1	ChEMBL_154488 (CHEMBL765265)	Inhibitory activity against peptidylglycine alpha-amidating monooxygenase (PAM) was determined
50006584	3	ChEMBL_146878 (CHEMBL750005)	Compound was tested for the inhibition of binding of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin to Opioid receptor delta 1 in plasma membrane homogenates of the guinea pig brain
50006586	2	ChEMBL_29479 (CHEMBL640472)	Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.
50006586	1	ChEMBL_31063 (CHEMBL641347)	Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.
50036491	2	ChEMBL_61985 (CHEMBL670590)	Inhibition of [3H]WIN-35428 binding to dopamine transporter using rat striatal tissue
50036491	1	ChEMBL_177551 (CHEMBL784309)	Inhibitory activity against [3H]dopamine uptake in rat striatal tissue
50004945	1	ChEMBL_61457 (CHEMBL670884)	In vitro binding affinity towards human Dopamine receptor D2A was determined in mouse fibroblast LtK cells using [3H]raclopride
50004945	2	ChEMBL_1172 (CHEMBL615844)	Binding affinity for 5-hydroxytryptamine 1A receptor in rat brain tissue using [3H]8-OH-DPAT as radioligand
50036491	3	ChEMBL_62787 (CHEMBL673937)	Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal tissue
50036492	1	ChEMBL_144463 (CHEMBL755110)	Inhibitory activity was tested against neutral endopeptidase
50006511	2	ChEMBL_83829 (CHEMBL692770)	In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex
50006511	3	ChEMBL_83825 (CHEMBL691842)	Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral cortex
50006511	4	ChEMBL_83830 (CHEMBL692771)	In vitro antagonistic activity against histamine H3 receptor on rat cerebral cortex
50006515	1	ChEMBL_28665 (CHEMBL649063)	Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rabbit intestine microsomes
50004960	3	ChEMBL_195210 (CHEMBL804229)	IC50 value was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oligo(dT).
50004960	6	ChEMBL_195214 (CHEMBL800925)	IC50 value was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rC)-oligo(dG)
50006516	1	ChEMBL_52980 (CHEMBL664188)	Inhibitory activity against Pneumocystis carinii dihydrofolate reductase
50006516	2	ChEMBL_53465 (CHEMBL665590)	Inhibitory activity against Toxoplasma gondii dihydrofolate reductase
50004963	2	ChEMBL_219004 (CHEMBL818772)	Ability to inhibit mGluR2-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration
50004963	1	ChEMBL_219025 (CHEMBL818793)	Ability to inhibit mGluR4-alpha induced cAMP formation was determined at BHK cells at 100 Micro M Concentration
50006518	1	ChEMBL_196952 (CHEMBL801325)	Inhibitory activity against DNA -dependent DNA polymerase (DDDP) of HIV-1 RT Nucleic Acid polymerase
50006518	3	ChEMBL_196954 (CHEMBL801327)	Inhibitory activity against TIBO-resistant HIV-1 RT Nucleic Acid polymerase
50006518	2	ChEMBL_196953 (CHEMBL801326)	Inhibitory activity against RNA-dependent DNA polymerase (RDDP) of HIV-1 RT Nucleic Acid polymerase
50036494	2	ChEMBL_200018 (CHEMBL810707)	Inhibitory activity against human chimeric Selectin P-Ig
50036494	3	ChEMBL_199992 (CHEMBL873249)	Inhibitory activity against human chimeric L-selectin-Ig
50036494	1	ChEMBL_60884 (CHEMBL673531)	Inhibitory activity against human chimeric E-selectin-Ig
50006634	7	ChEMBL_28667 (CHEMBL649065)	Inhibitory concentration was evaluated as concentration required to inhibit 50% activity of the rabbit artery Acyl coenzyme A:cholesterol acyltransferase 1
50006634	5	ChEMBL_28783 (CHEMBL641693)	Inhibitory concentration was evaluated as concentration required to inhibit 50% activity of the rabbit liver Acyl coenzyme A:cholesterol acyltransferase 1
50006634	3	ChEMBL_28796 (CHEMBL641706)	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.
50006634	2	ChEMBL_28660 (CHEMBL643994)	Inhibitory concentration was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 activity obtained from human hepatic microsomes
50006634	8	ChEMBL_28658 (CHEMBL643993)	Inhibitory concentration was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 activity obtained from human THP-1 macrophage enzyme.
50006636	4	ChEMBL_53488 (CHEMBL665613)	Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 50 uM dihydrofolic acid)
50006636	7	ChEMBL_55117 (CHEMBL665443)	Inhibitory activity against rat liver dihydrofolate reductase (in 90 uM dihydrofolic acid)
50006636	5	ChEMBL_54116 (CHEMBL668274)	Inhibitory activity against recombinant human dihydrofolate reductase(in 50 uM dihydrofolic acid)
50006636	2	ChEMBL_54740 (CHEMBL667191)	Inhibitory activity against recombinant ec dihydrofolate reductase(in 50 uM dihydrofolic acid)
50006636	1	ChEMBL_53492 (CHEMBL665616)	Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 uM dihydrofolic acid)
50006636	8	ChEMBL_55085 (CHEMBL663897)	Inhibitory activity against recombinant lc dihydrofolate reductase(in 50 uM dihydrofolic acid)
50006636	6	ChEMBL_53300 (CHEMBL663138)	Inhibitory activity against recombinant sf dihydrofolate reductase(in 50 uM dihydrofolic acid)
50006636	3	ChEMBL_53002 (CHEMBL664432)	Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 uM dihydrofolic acid)
50036496	2	ChEMBL_29170 (CHEMBL637901)	Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membrane
50036496	1	ChEMBL_29171 (CHEMBL637902)	Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membrane
50036496	5	ChEMBL_29173 (CHEMBL641068)	Binding affinity for adenosine A1 receptor from rat cortical membrane using [3H]DPCPX without GTP
50041250	2	ChEMBL_40135 (CHEMBL656787)	In vitro Bradykinin receptor B1 antagonist activity in functional tissue within rabbit aorta
50036497	3	ChEMBL_1221 (CHEMBL616173)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=2.7-3.6
50036497	16	ChEMBL_1217 (CHEMBL616169)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=174-224
50036497	21	ChEMBL_1225 (CHEMBL616177)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=39-87
50036497	14	ChEMBL_1218 (CHEMBL616170)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=184-503
50036498	4	ChEMBL_61688 (CHEMBL872503)	Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity)
50036498	5	ChEMBL_61689 (CHEMBL671773)	Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity)
50036498	2	ChEMBL_61686 (CHEMBL671771)	Inhibitory activity against [3H]-Dopamine uptake from Dopamine transporter in rat caudate putamen tissue
50036498	3	ChEMBL_61690 (CHEMBL671774)	Inhibitory activity against [3H]dopamine uptake from Dopamine transporter in rat caudate putamen tissue
50036499	2	ChEMBL_210511 (CHEMBL811906)	Effective concentration required to activate TRH-R receptor in AtT-20 mouse pituitary tumor cells
50036499	1	ChEMBL_207855 (CHEMBL810063)	Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells
50006543	1	ChEMBL_195512 (CHEMBL872992)	Inhibitory activity against HIV-1 reverse transcriptase
50006546	1	ChEMBL_155200 (CHEMBL763673)	Inhibition of Phosphodiesterase 5 from human
50006547	1	ChEMBL_195513 (CHEMBL800581)	Inhibitory activity against HIV-1 reverse transcriptase
50036500	1	ChEMBL_208853 (CHEMBL816688)	Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA
50036500	10	ChEMBL_209397 (CHEMBL811329)	Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I][MePhe7]-NKB
50036500	4	ChEMBL_209396 (CHEMBL811328)	Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125 I]-[MePhe7]
50036500	9	ChEMBL_209536 (CHEMBL813866)	Inhibitory activity against Tachykinin receptor 3 in guinea pig cortical membranes labeled with [125I]-[MePhe7]
50006551	1	ChEMBL_28795 (CHEMBL641705)	In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 from rat hepatic microsomes at 10 uM
50036502	2	ChEMBL_145932 (CHEMBL752598)	Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.
50036502	4	ChEMBL_146506 (CHEMBL754615)	Binding affinity towards Opioid receptor kappa 1 in guinea pig brain
50036502	3	ChEMBL_147146 (CHEMBL754178)	Binding affinity towards delta-1 opioid receptor in guinea pig brain
50036502	5	ChEMBL_145072 (CHEMBL754003)	Binding affinity towards delta-2 opioid receptor in guinea pig brain
50036502	6	ChEMBL_145275 (CHEMBL751211)	Binding affinity towards Opioid receptor mu 1 in guinea pig brain
50006465	2	ChEMBL_205722 (CHEMBL807968)	Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells
50036503	5	ChEMBL_159731 (CHEMBL766188)	Binding affinity determined for human Progesterone receptor A isoform
50036503	7	ChEMBL_29970 (CHEMBL642162)	Antagonistic potency to the human progesterone receptor measured in the T-47D alkaline phosphatase assay
50036503	3	ChEMBL_159861 (CHEMBL764070)	Concentration required to give half-maximal inhibition against human Progesterone receptor B isoform in co-transfected CV-1 cell lines.
50036503	12	ChEMBL_159855 (CHEMBL765832)	Effective concentration against human Progesterone receptor B isoform expressed in CV-1 cells
50036503	4	ChEMBL_159857 (CHEMBL765834)	Effective concentration against human Progesterone receptor B isoform expressed in CV-1 cells
50036503	13	ChEMBL_36143 (CHEMBL648331)	Binding affinity for human Androgen receptor
50036503	1	ChEMBL_36141 (CHEMBL648329)	Binding affinity determined against human Androgen receptor
50036503	18	ChEMBL_71391 (CHEMBL681743)	Binding affinity against human glucocorticoid receptor(hGR).
50036503	14	ChEMBL_71262 (CHEMBL685256)	Inhibitory activity against human glucocorticoid receptor (hGR)
50036503	8	ChEMBL_71392 (CHEMBL681744)	Binding affinity was determined for human glucocorticoid receptor(hGR).
50036503	9	ChEMBL_36122 (CHEMBL647748)	Inhibitory activity against human Androgen receptor
50036503	11	ChEMBL_159856 (CHEMBL765833)	Effective concentration against human Progesterone receptor B isoform expressed in CV-1 cells
50036503	6	ChEMBL_71263 (CHEMBL685257)	Inhibitory activity against human glucocorticoid receptor (hGR)
50036504	6	ChEMBL_146386 (CHEMBL753182)	Binding affinity against Kappa Opioid receptor in Guinea pig brain membranes
50036504	10	ChEMBL_146387 (CHEMBL753183)	Binding affinity against Kappa Opioid receptor in Guinea pig brain membranes using [3H]-DAMGO+EKC
50036504	8	ChEMBL_145270 (CHEMBL751207)	Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes
50036504	1	ChEMBL_147136 (CHEMBL754168)	Binding affinity against Delta Opioid receptor in Guinea pig brain membranes
50036504	3	ChEMBL_147117 (CHEMBL757877)	Opioid receptor mu 1 antagonistic activity in guinea pig ileum
50036504	2	ChEMBL_146390 (CHEMBL753186)	Binding affinity against Opioid receptor kappa 1 in Guinea pig brain membranes
50036504	9	ChEMBL_147137 (CHEMBL754169)	Binding affinity against Delta Opioid receptor in Guinea pig brain membranes using [3H]DAMGO+DADLE
50036504	11	ChEMBL_145271 (CHEMBL751208)	Binding affinity against Opioid receptor mu 1 in Guinea pig brain membranes using [3H]DAMGO
50004987	1	ChEMBL_1969955 (CHEMBL4602773)	Inhibition of HCV NS3/4a protease using Ac-DE-Dap(QXL520)-EE-Abu-shi-[COO]AS-C(5-FAMsp)-NH2 as substrate after 15 mins
50004987	2	ChEMBL_1969960 (CHEMBL4602778)	Inhibition of HCV NS5B polymerase
50004987	3	ChEMBL_1969961 (CHEMBL4602779)	Binding affinity to HCV NS5B polymerase
50004987	4	ChEMBL_1969962 (CHEMBL4602780)	Inhibition of HCV NS3/4a protease
50004965	3	ChEMBL_36792 (CHEMBL650313)	In vitro inhibitory activity against Angiotensin II receptor, type 1 in human adrenal membrane preparations. For this assay, only 0.02%BSA was present in the assay mixture.
50006476	2	ChEMBL_158742 (CHEMBL768749)	In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 1.
50006477	8	ChEMBL_123285 (CHEMBL732386)	Inhibitory concentration against rat brain mitochondrial monoamine oxidase A
50006477	10	ChEMBL_123281 (CHEMBL731802)	Inhibitory activity against rat brain mitochondrial Monoamine oxidase A (Expt 2)
50006484	5	ChEMBL_31322 (CHEMBL644875)	In vitro inhibitory activity against rat kidney Aldehyde reductase
50006484	6	ChEMBL_31936 (CHEMBL642978)	In vitro inhibitory activity against partially purified rat lens Aldose reductase, for experiment 2
50006484	3	ChEMBL_31935 (CHEMBL642977)	In vitro inhibitory activity against partially purified rat lens Aldose reductase at a dose of 5e-7M
50006484	4	ChEMBL_31937 (CHEMBL642979)	In vitro inhibitory activity against rat lens Aldose reductase, for experiment 1
50006484	2	ChEMBL_31318 (CHEMBL644871)	In vitro inhibitory activity against rat kidney Aldehyde reductase, for experiment 1
50006484	7	ChEMBL_32100 (CHEMBL644301)	In vitro inhibitory activity against rat lens Aldose reductase
50006485	3	ChEMBL_69804 (CHEMBL678752)	Inhibition of [3H]-flunitrazepam binding to alpha5 GABA-A receptor of rat hippocampal membranes
50006485	13	ChEMBL_69647 (CHEMBL681840)	Binding affinity for human GABA-A receptor alpha-2-beta-2-gamma-2 expressed in L(tk-) cell membranes
50036506	1	ChEMBL_138944 (CHEMBL745924)	Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined
50036506	4	ChEMBL_138316 (CHEMBL743827)	Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in guinea pig ileum
50036506	2	ChEMBL_140180 (CHEMBL744097)	Binding affinity towards rat Muscarinic acetylcholine receptor M2 was determined
50036506	3	ChEMBL_140161 (CHEMBL745466)	Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane
50006932	4	ChEMBL_33514 (CHEMBL876745)	Effective concentration at Alpha-2C adrenergic receptor from CHO-C4 cells
50006932	3	ChEMBL_33066 (CHEMBL647965)	Displacement of rauwolscine from human Alpha-2A adrenergic receptor expressed in CHO cells
50006932	7	ChEMBL_33498 (CHEMBL646997)	Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cells
50006932	2	ChEMBL_33051 (CHEMBL647292)	Effective concentration at Alpha-2A adrenergic receptor from CHO-C10 cells
50006936	12	ChEMBL_155503 (CHEMBL763980)	Inhibition of human platelet aggregation induced by ADP
50036508	1	ChEMBL_217126 (CHEMBL822946)	Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor
50006938	11	ChEMBL_217127 (CHEMBL822947)	Steroid potentiation of 5% GABA responses in Xenopus oocytes expressing human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor
50006938	9	ChEMBL_193816 (CHEMBL800811)	In vitro for inhibition of [35S]TBPS binding in rat brain cortical membranes in the presence of 5 uM GABA in two-component inhibition curve
50006938	10	ChEMBL_193817 (CHEMBL872982)	In vitro inhibition of [35S]-TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical membranes in the presence of 5 uM GABA (low affinity)
50036509	1	ChEMBL_141174 (CHEMBL750671)	Inhibitory activity against N-myristoyltransferase (NMT) of candida albicans
50036511	1	ChEMBL_70987 (CHEMBL680565)	Inhibition of rabbit glycogen phosphorylase B enzyme
50036512	1	ChEMBL_208496 (CHEMBL811971)	Inhibition constant against human thrombin
50007073	1	ChEMBL_197125 (CHEMBL803726)	Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.
50007075	2	ChEMBL_197648 (CHEMBL806253)	Inhibitory activity against human serine protease (act protein C )(7.5*10e6*)
50018107	15	ChEMBL_2264452	Inhibition of recombinant human AChE using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50018107	16	ChEMBL_2264453	Inhibition of recombinant human BuChE using butyrylthiocholine as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins by Ellman's method
50018107	17	ChEMBL_2264454	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by microplate spectrophotometric analysis
50018107	18	ChEMBL_2264455	Inhibition of human LOX5 using arachidonic acid preincubated for 10 mins followed by substrate addition by microplate spectrophotometric analysis
50018107	19	ChEMBL_2264458	Inhibition of recombinant human AChE using acetylthiocholine as substrate measured after 3 mins by DTNB reagent based UV/Vis spectroscopy
50036513	4	ChEMBL_61448 (CHEMBL670674)	In vitro binding affinity against Dopamine receptor D2 like from rat caudate membrane using [3H]-spiperone as radioligand
50036513	1	ChEMBL_59005 (CHEMBL880003)	Ability to stimulate the Dopamine receptor D1 like was assayed by measuring cAMP production in cell free homogenates of goldfish retinal tissue
50036513	3	ChEMBL_59009 (CHEMBL668873)	In vitro binding affinity against Dopamine receptor D1 like from rat caudate membrane using [125I]-SCH as radioligand
50036513	6	ChEMBL_1566 (CHEMBL616353)	Binding affinity against 5-hydroxytryptamine 1A receptor
50007081	2	ChEMBL_158738 (CHEMBL768745)	In vitro inhibitory activity against human prostaglandin G/H synthase 1
50004966	1	ChEMBL_35282 (CHEMBL647846)	The compound was tested for binding affinity against Angiotensin II receptor, type 2 from rabbit uterus membrane by using [125I]AngII as radioligand
50007081	1	ChEMBL_159746 (CHEMBL762910)	In vitro inhibitory activity against Prostaglandin G/H synthase 2 in IL-1-stimulated dermal fibroblasts
50007081	4	ChEMBL_158737 (CHEMBL768744)	In vitro inhibitory activity against Prostaglandin G/H synthase 1 in retinoic acid stimulated HL-60 cells
50007082	2	ChEMBL_158729 (CHEMBL768737)	Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50%
50004969	6	ChEMBL_209621 (CHEMBL816737)	Inhibitory concentration against recombinant human TS (Thymidylate synthase)
50004969	3	ChEMBL_54910 (CHEMBL664718)	inhibitory concentration against Lactobacillus casei DHFR(Dihydro folate reductase).
50007087	3	ChEMBL_65484 (CHEMBL682359)	In vitro inhibition of endothelin binding to human Endothelin A receptor using [125I]-labeled ET-1 competition assay
50036517	4	ChEMBL_147345 (CHEMBL873918)	The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.
50007090	6	ChEMBL_37046 (CHEMBL652435)	The compound was tested for binding affinity against PBR(peripheral benzodiazepine receptor) in normal rat brain homogenate
50007090	5	ChEMBL_37045 (CHEMBL652434)	Binding affinity for PBR (peripheral benzodiazepine receptor) in rat RG-2 glioma cells
50007090	3	ChEMBL_37052 (CHEMBL652441)	Binding affinity constant for Benzodiazepine receptor in rat RG-2 glioma cells
50007090	2	ChEMBL_37051 (CHEMBL652440)	Binding affinity constant for Benzodiazepine receptor in rat C6 glioma cells
50036518	2	ChEMBL_105997 (CHEMBL716354)	Effective concentration that was able to generate 50% maximal intracellular cAMP in L-cells transfected with Melanocortin 3 receptor
50036518	4	ChEMBL_106013 (CHEMBL716369)	Inhibitory concentration against human Melanocortin 3 receptor (hMC3R)
50036518	1	ChEMBL_106350 (CHEMBL878465)	Inhibitory concentration against human Melanocortin 4 receptor (hMC4R)
50036518	8	ChEMBL_106651 (CHEMBL715688)	Inhibitory concentration against human Melanocortin 5 receptor (hMC5R)
50036518	6	ChEMBL_106517 (CHEMBL713021)	Effective concentration that was able to generate 50% maximal intracellular cAMP in L-cells transfected with Melanocortin 5 receptor
50036518	5	ChEMBL_106186 (CHEMBL714605)	Effective concentration for intracellular cAMP accumulation in L-cells expressing Melanocortin 4 receptor
50036518	3	ChEMBL_105835 (CHEMBL716494)	Inhibitory concentration against human Melanocortin 1 receptor (hMC1R)
50036518	7	ChEMBL_105823 (CHEMBL716483)	Effective concentration for intracellular cAMP accumulation in L-cells expressing Melanocortin 1 receptor
50007093	3	ChEMBL_51282 (CHEMBL664984)	Inhibition of binding of [125I]-Tyr0-sauvagine to Corticotropin releasing hormone receptor 2 (CRF2)
50007094	4	ChEMBL_3249 (CHEMBL619755)	concentration which gave a 50% increase in the response to electrical stimulation against 5-hydroxytryptamine 4 receptor in the guinea pig ileum. Activity expressed as percent of the maximum 5-HT response given in brackets.
50007094	2	ChEMBL_3248 (CHEMBL619596)	concentration which gave a 50% increase in the response to electrical stimulation against 5-hydroxytryptamine 4 receptor in the guinea pig ileum.
50007094	5	ChEMBL_3267 (CHEMBL619068)	The antagonist activity was calculated as the concentration which produced a 50% reduction against 5-hydroxytryptamine 4 receptor in guinea pig ileum. 95% confidence limits are in brackets.
50007094	1	ChEMBL_3266 (CHEMBL619067)	The antagonist activity was calculated as the concentration which produced a 50% reduction against 5-hydroxytryptamine 4 receptor in guinea pig ileum.
50004975	1	ChEMBL_212951 (CHEMBL873996)	Inhibition of uridine phosphorylase (UrdPase) from murine liver.
50004975	2	ChEMBL_212952 (CHEMBL816766)	The compound was tested for inhibition of uridine phosphorylase (UrdPase) from murine liver Value refers to activity for apparent Ki value
50004978	2	ChEMBL_122938 (CHEMBL733064)	Ability to inhibit Monoamine oxidase A enzyme
50004978	1	ChEMBL_123919 (CHEMBL729453)	Ability to inhibit Monoamine oxidase B enzyme
50007094	6	ChEMBL_3347 (CHEMBL619047)	Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]GR-113808 displacement.
50036519	14	ChEMBL_155376 (CHEMBL760829)	Inhibition of Phosphodiesterase 5
50036519	10	ChEMBL_155371 (CHEMBL762516)	Inhibition of phosphodiesterase 5
50007097	4	ChEMBL_63075 (CHEMBL673642)	Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamine receptor D4-transfected CHO pro-5 cells using [3H]thymidine as radioligand
50007097	8	ChEMBL_60667 (CHEMBL671703)	Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand
50007097	1	ChEMBL_1570 (CHEMBL616560)	Binding affinity at 5-hydroxytryptamine 1A receptor
50007098	3	ChEMBL_29297 (CHEMBL640358)	Binding affinity for Adenosine A1 receptor from Guinea pig membranes
50007098	1	ChEMBL_27901 (CHEMBL640561)	Inhibition of binding to membranes from HEK293 cells expressing human Adenosine A1 receptor
50007098	2	ChEMBL_29162 (CHEMBL637711)	Binding affinity for Adenosine A1 receptor of rat forebrain
50041254	6	ChEMBL_3456 (CHEMBL618141)	Binding affinity against 5-hydroxytryptamine 3 receptor was measured using [3H]granisetron as radioligand
50007104	2	ChEMBL_61362 (CHEMBL879550)	Inhibition of [3H]WIN-35428 binding to dopamine transporter using of Cynomolgus monkey caudate-putamen
50007104	1	ChEMBL_201340 (CHEMBL806863)	Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus monkey caudate-putamen
50007106	4	ChEMBL_202414 (CHEMBL805569)	Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard
50007106	2	ChEMBL_207482 (CHEMBL808365)	Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined
50007106	1	ChEMBL_161879 (CHEMBL770262)	Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.
50036521	1	ChEMBL_63997 (CHEMBL673106)	Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay
50007109	3	ChEMBL_52849 (CHEMBL665053)	In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase
50007109	1	ChEMBL_54960 (CHEMBL669620)	In vitro inhibitory concentration against rat liver dihydrofolate reductase
50007112	1	ChEMBL_63796 (CHEMBL679049)	Inhibitory concentration against Human Leukocyte Elastase from human sputum
50007112	6	ChEMBL_105660 (CHEMBL718973)	The concentration required to achieve 50% inhibition against Matrix metalloprotease-9
50007114	1	ChEMBL_53468 (CHEMBL665593)	Inhibitory concentration against Toxoplasma gondii Dihydrofolate reductase
50007114	3	ChEMBL_52986 (CHEMBL665255)	Inhibitory concentration against Pneumocystis carinii Dihydrofolate reductase
50007126	2	ChEMBL_47242 (CHEMBL656649)	In vitro inhibitory activity against Catechol-O-methyltransferase from porcine liver; Uncompetitive mode of inhibition
50007126	1	ChEMBL_47241 (CHEMBL656648)	In vitro inhibitory activity against Catechol-O-methyltransferase from porcine liver; Competitive mode of inhibition
50036526	1	ChEMBL_155494 (CHEMBL768069)	In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)
50036528	5	ChEMBL_106014 (CHEMBL716370)	Displacement of [125I]NDP-MSH from Melanocortin 3 receptor at 10 uM
50036528	3	ChEMBL_106647 (CHEMBL715684)	Displacement of [125I]NDP-MSH from Melanocortin 5 receptor at 10 uM
50004986	1	ChEMBL_89911 (CHEMBL702329)	Inhibition of LT biosynthesis in vitro using A-23187-stimulated human whole blood.
50004988	2	ChEMBL_70271 (CHEMBL681410)	In vitro concentration required to reduce Farnesyltransferase catalyzed incorporation of [3H]FPP into recombinant Ha-Ras protein by 50%
50004988	1	ChEMBL_71810 (CHEMBL683641)	Inhibition of bovine Geranylgeranyl transferase type I
50004989	8	ChEMBL_213252 (CHEMBL821460)	Binding affinity towards trypsin
50004989	2	ChEMBL_45529 (CHEMBL660232)	Binding affinity towards cathepsin G
50004989	3	ChEMBL_36016 (CHEMBL875924)	Biological activity was measured against Angiotensin I converting enzyme
50004989	7	ChEMBL_49474 (CHEMBL657116)	Binding affinity towards chymotrypsin
50004989	1	ChEMBL_152314 (CHEMBL756767)	Binding affinity towards porcine pancreatic elastase
50004989	6	ChEMBL_152649 (CHEMBL763838)	Binding affinity towards papain
50004989	9	ChEMBL_27379 (CHEMBL642412)	Binding affinity towards Acetylcholinesterase
50004989	5	ChEMBL_209090 (CHEMBL813431)	Binding affinity towards thrombin
50036528	1	ChEMBL_105833 (CHEMBL716492)	Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM
50036528	6	ChEMBL_106326 (CHEMBL709897)	effective concentration of peptide at 50% maximal cAMP accumulation on Melanocortin 4 receptor
50036528	4	ChEMBL_106338 (CHEMBL715715)	Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM
50036528	2	ChEMBL_105830 (CHEMBL716490)	effective concentration of peptide at 50% maximal cAMP accumulation on Melanocortin 1 receptor
50036528	8	ChEMBL_106524 (CHEMBL713028)	effective concentration of peptide at 50% maximal cAMP accumulation on Melanocortin 5 receptor
50036528	7	ChEMBL_106005 (CHEMBL716361)	effective concentration of peptide at 50% maximal cAMP accumulation on Melanocortin 3 receptor
50007142	1	ChEMBL_197284 (CHEMBL804271)	tested for its inhibition of HIV-1 reverse transcriptase.
50007143	3	ChEMBL_156454 (CHEMBL764832)	Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart
50004994	1	ChEMBL_213087 (CHEMBL815015)	Inhibitory activity against trypsin
50004994	2	ChEMBL_69270 (CHEMBL677087)	Inhibitory activity against furin
50036530	2	ChEMBL_200501 (CHEMBL803846)	Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b
50036530	4	ChEMBL_200510 (CHEMBL803854)	Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3
50036530	1	ChEMBL_200513 (CHEMBL803857)	Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4
50036530	3	ChEMBL_200533 (CHEMBL806603)	Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5
50007152	3	ChEMBL_90266 (CHEMBL699131)	Inhibition of insulin receptor (InsR) tyrosine kinase
50007157	4	ChEMBL_196519 (CHEMBL798333)	Inhibitory effect on Moloney Murine Leukemia virus (mo-MuLv) recombinant Reverse transcriptase
50007157	3	ChEMBL_195367 (CHEMBL802405)	Inhibitory activity against HIV-1 recombinant reverse transcriptase
50007157	1	ChEMBL_195370 (CHEMBL802408)	Inhibitory activity against HIV-1 reverse transcriptase
50007157	2	ChEMBL_196520 (CHEMBL801067)	Inhibitory effect on Moloney Murine Leukemia virus (mo-MuLv) recombinant reverse transcriptase
50007158	1	ChEMBL_60829 (CHEMBL675818)	Ability to displace [3H]spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK293 cells.
50007158	2	ChEMBL_62435 (CHEMBL678864)	Ability to displace [3H]spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK293 cells.
50007158	3	ChEMBL_60373 (CHEMBL672209)	Ability to displace [3H]spiperone from human dopamine receptor D2 stably expressed in CHO cells.
50036532	1	ChEMBL_159286 (CHEMBL764269)	Inhibition of HIV-1 protease
50004999	3	ChEMBL_33073 (CHEMBL648169)	Binding affinity towards Alpha-2A adrenergic receptor in human platelets using [3H]RX-821002 as radioligand
50036534	1	ChEMBL_61989 (CHEMBL670594)	Compound was tested for inhibitory activity to displace [3H]WIN-35428 at dopamine transporter in Rat Striatal Membranes.
50004999	2	ChEMBL_33501 (CHEMBL647000)	Binding affinity towards Alpha-2B adrenergic receptor in neonatal rat lung using [3H]-RX-821002 as radioligand
50036535	1	ChEMBL_89934 (CHEMBL699560)	The compound was assayed to determine the inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2
50036536	4	ChEMBL_172950 (CHEMBL783115)	cAMP accumulation in rat hepatocytes in the presence rolipram
50036536	3	ChEMBL_70926 (CHEMBL683744)	pA2 value against Glucagon Receptor
50036536	2	ChEMBL_166182 (CHEMBL879108)	Binding affinity towards Glucagon receptor in rat liver plasma membranes by displacement of 125 I-labelled glucagon
50005001	3	ChEMBL_62621 (CHEMBL678244)	Evaluated for the Competitive inhibition of uptake of dopamine transporter
50005001	1	ChEMBL_143118 (CHEMBL748000)	Evaluated for the Competitive inhibition of uptake of norepinephrine
50005001	2	ChEMBL_143119 (CHEMBL748001)	Evaluated for the Non competitive inhibition of uptake of norepinephrine
50036536	1	ChEMBL_73016 (CHEMBL681695)	Binding affinity towards Glucagon receptor in rat liver plasma membranes by displacement of 125 I-labelled glucagon
50005008	1	ChEMBL_50555 (CHEMBL660333)	Inhibition of Cytochrome P450 19A1
50005008	2	ChEMBL_50550 (CHEMBL660328)	Inhibition of Cytochrome P450 19A1
50007179	3	ChEMBL_148842 (CHEMBL753959)	Affinity was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1
50007179	2	ChEMBL_75462 (CHEMBL686360)	Functional biological activity for mu opioid receptor was determined in vitro, on guinea pig ileum (GPI).
50007179	1	ChEMBL_145778 (CHEMBL755220)	Functional biological activity for Opioid receptor delta 1 was determined in vitro, on mouse vas deferens (MVD).
50005014	4	ChEMBL_197066 (CHEMBL806655)	Inhibition of binding to murine Retinoid X receptor RXR beta
50005014	1	ChEMBL_197225 (CHEMBL798334)	Inhibition of binding to murine Retinoid X receptor RXR gamma
50005014	9	ChEMBL_196164 (CHEMBL804937)	Inhibition of binding to murine Retinoic acid receptor RAR gamma
50007179	4	ChEMBL_146898 (CHEMBL751672)	Affinity was assessed using competitive binding assay labeled with [3H]DPDPE (6.3 nM) for Opioid receptor delta 1
50005014	6	ChEMBL_195640 (CHEMBL795958)	Inhibition of murine Retinoic acid receptor RAR beta
50036537	11	ChEMBL_31216 (CHEMBL642108)	Kd in saturation experiments using [3H]CGS-21680 at H250N mutant receptor in COS-7 cells
50036537	14	ChEMBL_31217 (CHEMBL642258)	Kd in saturation experiments using [3H]CGS-21680 at V84L mutant receptor in COS-7 cells
50005014	10	ChEMBL_196767 (CHEMBL798078)	Inhibition of binding to human Retinoid X receptor RXR alpha
50036537	9	ChEMBL_31220 (CHEMBL642261)	Saturation binding of human Adenosine A2A receptor (H250N) at pH 6.8
50036537	10	ChEMBL_31344 (CHEMBL645715)	Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 7.5
50036537	5	ChEMBL_31368 (CHEMBL644660)	Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cells
50036537	13	ChEMBL_31219 (CHEMBL642260)	Saturation binding of mutant human Adenosine A2A receptor (H250N) at pH 5.5
50036537	4	ChEMBL_31367 (CHEMBL644659)	Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cells
50036537	2	ChEMBL_31366 (CHEMBL644658)	Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cells
50005014	3	ChEMBL_197224 (CHEMBL798972)	Inhibition of binding to murine Retinoid X receptor RXR gamma
50036537	7	ChEMBL_31221 (CHEMBL642262)	Saturation binding of human Adenosine A2A receptor H250N at pH 7.5
50036537	6	ChEMBL_31222 (CHEMBL642263)	Saturation binding of human Adenosine A2A receptor H250N at pH 8.4
50005019	3	ChEMBL_101864 (CHEMBL710107)	Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase
50036537	1	ChEMBL_31343 (CHEMBL645714)	Saturation binding of wild type human Adenosine A2A receptor at pH 6.8
50036537	8	ChEMBL_31223 (CHEMBL642264)	Saturation binding characteristics of wild type human Adenosine A2A receptor at pH 5.5
50005019	12	ChEMBL_32499 (CHEMBL641376)	Inhibition of soluble Alpha-mannosidase II in rat liver
50036537	3	ChEMBL_31218 (CHEMBL642259)	Kd in saturation experiments using [3H]CGS-21680 at WT receptor in COS-7 cells
50007181	2	ChEMBL_32001 (CHEMBL646598)	Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor.
50007181	4	ChEMBL_29470 (CHEMBL642199)	Displacement of specific [3H](R)-PIA binding at adenosine A1 receptor from rat brain membranes.
50005019	13	ChEMBL_32498 (CHEMBL641375)	Inhibition of lysosomal Alpha-mannosidase II in rat liver
50007181	1	ChEMBL_30017 (CHEMBL641308)	Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in rat striatal membranes.
50005019	4	ChEMBL_96426 (CHEMBL706374)	Inhibition of Glycosidases (lactase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50036538	1	ChEMBL_201226 (CHEMBL801382)	Inhibition of [3H]citalopram binding to the serotonin transporter (5-HT) in monkey caudate-putamen.
50036538	2	ChEMBL_61358 (CHEMBL673260)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.
50036538	3	ChEMBL_61485 (CHEMBL672387)	inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen.
50005019	1	ChEMBL_101863 (CHEMBL710106)	Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	5	ChEMBL_208284 (CHEMBL813582)	Inhibition of Glycosidases (trehalase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	9	ChEMBL_32497 (CHEMBL641374)	Competitive Inhibitory activity against Golgi Alpha-mannosidase II
50041256	5	ChEMBL_33508 (CHEMBL647005)	The compound's binding affinity against Alpha-2B adrenergic receptor from rat kidney homogenate in the presence of phentolamine
50041256	4	ChEMBL_61316 (CHEMBL670091)	The compound's binding affinity against Dopamine receptor D2
50041256	3	ChEMBL_1582 (CHEMBL616993)	The compound's binding affinity against 5-hydroxytryptamine 1A receptor
50007190	1	ChEMBL_156041 (CHEMBL764349)	Inhibitory activity against cPLA2 (cytosolic Phospholipase A2) by measuring the calcium ionophore A-23,187-induced arachidonic acid release from bovine platelets
50007192	1	ChEMBL_69691 (CHEMBL682027)	Inhibition of falcipain activity
50007193	1	ChEMBL_148840 (CHEMBL753958)	Affinity against Opioid receptor mu 1 was determined by measuring the inhibition of [3H]DAMGO binding to rat forebrain membranes
50007193	2	ChEMBL_145996 (CHEMBL750590)	Affinity against Opioid receptor kappa 2 was determined by measuring the inhibition of [3H]bremazocine binding to guinea pig cerebellar membranes
50007193	8	ChEMBL_146230 (CHEMBL754999)	Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]U-69593 binding to guinea pig cerebellar membranes
50007193	7	ChEMBL_147209 (CHEMBL754826)	Binding affinity towards Opioid receptor kappa 1 using [3H]diprenorphine as radioligand in guinea pig cerebellar membrane in presence of 120 mM NaCl + 50 uM Gpp(NH)p
50007193	6	ChEMBL_147208 (CHEMBL754825)	Binding affinity towards Opioid receptor kappa 1 using [3H]diprenorphine as radioligand in guinea pig cerebellar membrane in absence of 120 mM NaCl + 50 uM Gpp(NH)p
50007193	5	ChEMBL_146895 (CHEMBL751669)	Affinity against Opioid receptor delta 1 was determined by measuring the inhibition of [3H]DPDPE binding to rat forebrain membranes
50007193	3	ChEMBL_147214 (CHEMBL755420)	Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]bremazocine binding to guinea pig cerebellar membranes
50007193	4	ChEMBL_146099 (CHEMBL753327)	Affinity against Opioid receptor kappa 3 was determined by measuring the inhibition of [3H]NalBzoH binding to guinea pig cerebellar membranes
50005022	2	ChEMBL_58688 (CHEMBL672654)	Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone radio-ligand in rat striatal membranes by using radioligand competition assay.
50005022	1	ChEMBL_58180 (CHEMBL669835)	Binding affinity to the dopamine receptor D1 by displacing [3H]-SCH- 23390 radio-ligand in rat striatal membranes by using radioligand competition assay.
50005023	2	ChEMBL_147045 (CHEMBL753272)	Compound was evaluated for binding affinity against delta opioid receptor of rat forebrain using [3H]-DPDPE as the radioligand using competition binding assays.
50036539	1	ChEMBL_69110 (CHEMBL678735)	Decrease in frog skin reflectivity (metabotropic activity).
50005023	3	ChEMBL_149001 (CHEMBL757985)	Compound was evaluated for binding affinity against Opioid receptor mu 1 of rat forebrain using [3H]DAMGO as the radioligand using competition binding assays.
50005025	1	ChEMBL_200911 (CHEMBL804549)	Compound was tested for binding activity to human serum albumin (HSA)
50036542	2	ChEMBL_37218 (CHEMBL651678)	In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat.
50036543	5	ChEMBL_145920 (CHEMBL752588)	Binding affinity for Opioid receptor kappa 1 by the inhibition of binding of [3H]U-69593 in guinea pig brain membranes.
50036543	2	ChEMBL_145333 (CHEMBL750421)	Binding affinity for Opioid receptor delta 1 by the inhibition of binding of [3H]-p-DPDPE human cloned receptors.
50036545	6	ChEMBL_70140 (CHEMBL685963)	Activity against bovine Farnesyltransferase
50007222	12	ChEMBL_2104 (CHEMBL617140)	Ability to displace [3H]ketanserin from rat cortical homogenate 5-hydroxytryptamine 2A receptor
50007222	10	ChEMBL_2491 (CHEMBL617378)	Antagonist activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]rauwolscine radioligand
50007222	6	ChEMBL_2278 (CHEMBL617064)	Agonist activity at cloned human 5-hydroxytryptamine 2A receptor using [125I]DOI radioligand
50007222	5	ChEMBL_2602 (CHEMBL617470)	Ability to displace [3H]ketanserin from rat cortical homogenate 5-hydroxytryptamine 2A receptor
50007222	7	ChEMBL_2489 (CHEMBL617376)	Antagonist activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]- rauwolscine radioligand
50007222	13	ChEMBL_2958 (CHEMBL617898)	Agonist activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]DOI radioligand
50007222	3	ChEMBL_2561 (CHEMBL617108)	Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2A receptor
50007223	3	ChEMBL_28296 (CHEMBL644835)	Inhibition of Acetylcholinesterase from human red blood cells
50007223	2	ChEMBL_28936 (CHEMBL884109)	Inhibition of Acetylcholinesterase activity from octopus brain
50007223	5	ChEMBL_28746 (CHEMBL641010)	In vitro inhibition of Acetylcholinesterase Activity in octopus brain
50007223	6	ChEMBL_28743 (CHEMBL641512)	Binding affinity against Acetylcholinesterase of human RBC
50007223	4	ChEMBL_29062 (CHEMBL642668)	Binding affinity against Acetylcholinesterase of purified Octopus brain (OB)
50005027	1	ChEMBL_63972 (CHEMBL677598)	In vitro human leukocyte elastase (HLE) inhibition, and the Kobs[I] is the second-order rate constant for the time dependent inactivation of HLE by the compound.
50007223	1	ChEMBL_27816 (CHEMBL636706)	Inhibition of Acetylcholinesterase activity of calf forebrain
50007223	7	ChEMBL_27826 (CHEMBL636715)	Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)
50007225	1	ChEMBL_53325 (CHEMBL664911)	Inhibition of Toxoplasma gondii dihydrofolate reductase
50007225	4	ChEMBL_54958 (CHEMBL669028)	Inhibition of rat liver dihydrofolate reductase
50007225	2	ChEMBL_52848 (CHEMBL665052)	Inhibition of Pneumocystis carinii dihydrofolate reductase
50007226	3	ChEMBL_55112 (CHEMBL665439)	Inhibitory activity against Dihydrofolate reductase from rat liver was evaluated using 90 uM dihydrofolic acid as substrate
50007226	1	ChEMBL_52977 (CHEMBL664185)	Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii was evaluated using 90 uM dihydrofolic acid as substrate
50007226	2	ChEMBL_55294 (CHEMBL665205)	Inhibitory activity of compound against rat liver Dihydrofolate reductase
50007226	4	ChEMBL_53461 (CHEMBL884350)	Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 uM dihydrofolic acid as substrate
50036547	1	ChEMBL_90720 (CHEMBL701113)	Inhibition of strand transfer activity of HIV-1 integrase
50036547	2	ChEMBL_90705 (CHEMBL873207)	Inhibition of 3'- processing activity of HIV-1 integrase
50007229	1	ChEMBL_145565 (CHEMBL749569)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 from mouse brain membranes.
50007229	3	ChEMBL_148517 (CHEMBL758127)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 from mouse brain membranes.
50007229	2	ChEMBL_146341 (CHEMBL753790)	Inhibition of [3H]-NTI binding to Opioid receptor delta 1 from mouse brain membranes.
50007231	1	ChEMBL_160851 (CHEMBL771786)	In vitro inhibitory activity against human Prothrombin
50036548	2	ChEMBL_155250 (CHEMBL764739)	Inhibitory activity against plasmin
50036548	5	ChEMBL_212519 (CHEMBL817584)	Inhibitory activity against trypsin
50036548	3	ChEMBL_210595 (CHEMBL816562)	Inhibitory activity against thrombin
50036548	1	ChEMBL_48481 (CHEMBL662059)	Inhibitory activity against coagulation factor X.
50036549	7	ChEMBL_146474 (CHEMBL882767)	Antagonist activity against Opioid receptor delta 1 in mouse vas deferens assay
50036549	4	ChEMBL_147101 (CHEMBL758266)	Inhibitory activity against Opioid receptor mu 1 in an in vitro guinea pig ileum assay
50036549	1	ChEMBL_146908 (CHEMBL751121)	Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE
50036549	6	ChEMBL_145444 (CHEMBL752033)	Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay
50005031	3	ChEMBL_140698 (CHEMBL751689)	Ability to inhibit [3H]CGS-19,755 binding to AMPA receptors.
50036549	2	ChEMBL_148849 (CHEMBL756645)	Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO
50005032	3	ChEMBL_63653 (CHEMBL675540)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Val-pNA) for sputum elastase in vitro.
50005032	2	ChEMBL_155580 (CHEMBL759955)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro.
50005032	7	ChEMBL_49466 (CHEMBL657110)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Suc-Ala-Ala-Pro-Phe-pNA) for chymotrypsin in vitro.
50005032	6	ChEMBL_209070 (CHEMBL809536)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro.
50007235	1	ChEMBL_105574 (CHEMBL709771)	Agonist activity against Metabotropic glutamate receptor 1 expressed in HEK 293 cells was evaluated by measuring total inositol phosphate accumulation
50005032	1	ChEMBL_45348 (CHEMBL884103)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (MeO-Suc-Ala-Ala-Pro-Met-pNA) for cathepsin G in vitro.
50036552	4	ChEMBL_70744 (CHEMBL681455)	Inhibition of rat brain farnesyltransferase in 30 mM potassium phosphate buffer
50036552	1	ChEMBL_70743 (CHEMBL681454)	Inhibitory concentration against rat brain farnesyltransferase
50005032	8	ChEMBL_213240 (CHEMBL821450)	Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro.
50036552	3	ChEMBL_70745 (CHEMBL681456)	Inhibition of rat brain farnesyltransferase in 50 mM HEPES buffer
50036552	8	ChEMBL_70573 (CHEMBL682706)	Inhibition of human farnesyltransferase
50036552	2	ChEMBL_70746 (CHEMBL681606)	Inhibition of rat brain farnesyltransferase in 5 mM potassium phosphate and 50 mM HEPES buffer
50006922	5	ChEMBL_148906 (CHEMBL756760)	Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liver
50006922	7	ChEMBL_148904 (CHEMBL756758)	Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver
50006922	3	ChEMBL_149029 (CHEMBL759504)	Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver
50006922	6	ChEMBL_149030 (CHEMBL759505)	Inhibition constant against rat liver Oxidosqualene-lanosterol cyclase
50006922	1	ChEMBL_148898 (CHEMBL882413)	Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from pig liver
50006924	1	ChEMBL_160463 (CHEMBL761759)	Inhibitory concentration against recombinant human Protein kinase C beta 1 isozyme
50006924	8	ChEMBL_160107 (CHEMBL768372)	Inhibitory concentration against recombinant human Protein kinase C alpha isozyme
50006924	3	ChEMBL_161125 (CHEMBL770096)	Inhibitory concentration against recombinant human Protein kinase C eta isozyme
50006924	5	ChEMBL_160614 (CHEMBL768098)	Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme
50005039	3	ChEMBL_49513 (CHEMBL663463)	Inhibitory potency against human fibroblast collagenase, MMP-1
50005039	1	ChEMBL_205626 (CHEMBL812385)	Inhibitory potency against human stromelysin, MMP-3
50005039	2	ChEMBL_49517 (CHEMBL660241)	Inhibition of human neutrophil collagenase (HNC), MMP-8
50006926	2	ChEMBL_90723 (CHEMBL701116)	Inhibitory activity against 3'-processing of DNA by HIV-1 integrase
50006926	4	ChEMBL_88614 (CHEMBL701718)	Integration of DNA by HIV -1 integrase
50005041	1	ChEMBL_202094 (CHEMBL813351)	Inhibition rat liver microsomal squalene synthase
50006926	1	ChEMBL_90722 (CHEMBL701115)	Inhibitory activity against 3'-processing of DNA by HIV-1 integrase
50005043	1	ChEMBL_54946 (CHEMBL669017)	Concentration inhibiting rat liver dihydrofolate reductase. 
50006926	3	ChEMBL_90724 (CHEMBL701117)	Inhibitory activity against 3'-processing of DNA byHIV-1 integrase
50006927	1	ChEMBL_62398 (CHEMBL672953)	Binding affinity was determined in vitro on rat striatum using [3H]N-propylnorapomorphine against Dopamine receptor D2
50018107	20	ChEMBL_2264459	Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured for 60 mins by Amplex Red reagent based fluorescence microplate analysis
50018107	21	ChEMBL_2264460	Displacement of [3H](+)-pentazocine from human sigma 1 receptor expressed in human HEK293 cells incubated for 2 hrs by liquid scintillation counting analysis
50007298	1	ChEMBL_38632 (CHEMBL652493)	Binding affinity against adrenergic receptor subtype Beta-2 adrenergic receptor using [3H]DHA as radioligand
50018107	22	ChEMBL_2264462	Inhibition of human BuChE
50018107	23	ChEMBL_2264463	Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 10 mins followed by enzyme addition and measured after 20 mins by fluorescent microplate reader analysis
50018107	24	ChEMBL_2264465	Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by DTNB based Ellman's method
50018107	25	ChEMBL_2264466	Inhibition of human AchE expressed in human HEK293 cells using acetylthiocholine as substrate preincubated for 10 mins followed by substrate addition and measured after 5 to 8 mins by DTNB based Ellman's spectrophotometric method
50018107	26	ChEMBL_2264467	Inhibition of human MAO-A using kynuramine as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by spectroscopic analysis
50018107	27	ChEMBL_2264468	Inhibition of human MAO-B using kynuramine as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by spectroscopic analysis
50007302	3	ChEMBL_63839 (CHEMBL674889)	Binding affinity for human leukocyte elastase
50036555	6	ChEMBL_146321 (CHEMBL757530)	Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand
50036555	1	ChEMBL_145884 (CHEMBL754250)	In vitro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay
50036555	4	ChEMBL_148398 (CHEMBL757106)	Binding affinity against Opioid receptor mu 1 using [3H][D-Ala2, MePhe4, Gly-ol5]-enkephalin as radioligand
50036555	2	ChEMBL_145563 (CHEMBL752652)	Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand
50036555	5	ChEMBL_145779 (CHEMBL883396)	In vitro agonist activity for Opioid receptor delta 1 was determined in a mouse vas deferens assay
50036556	1	ChEMBL_161937 (CHEMBL769191)	Inhibition activity against protein phosphatase 2A (PP2A), activity taken from literature
50036556	5	ChEMBL_161765 (CHEMBL767326)	Inhibition activity against protein phosphatase 1 (PP1), activity taken from literature
50036556	3	ChEMBL_161769 (CHEMBL767486)	Observed inhibition activity against protein phosphatase 1 (PP1)
50007307	2	ChEMBL_63872 (CHEMBL671334)	Ability to displace endothelin ([125I]ET-3) from endothelin B receptor derived from cerebellar tissue of porcine.
50007307	6	ChEMBL_63500 (CHEMBL676491)	Ability to displace endothelin ([125I]ET1) from endothelin A receptor derived from MMQ cells of rodent.
50007307	4	ChEMBL_65460 (CHEMBL682100)	Ability to displace endothelin ([125I]ET1) from human Endothelin A receptor
50007307	3	ChEMBL_63536 (CHEMBL677449)	Binding assay performed using human Endothelin B receptor (hETB) expressed in chinese hamster ovary cells(CHO)
50007307	7	ChEMBL_63519 (CHEMBL873581)	Ability to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin B receptor of chinese hamster ovary(CHO) cells.
50007307	5	ChEMBL_63499 (CHEMBL676490)	Ability to block the ET-1-induced hydrolysis of inositol phosphate in Endothelin A receptor of MMQ cells.
50007307	8	ChEMBL_63520 (CHEMBL677268)	Ability to displace endothelin ([125I]ET1) from human Endothelin B receptor
50007307	1	ChEMBL_65471 (CHEMBL873596)	Binding assay performed using human Endothelin A receptor (hETA) expressed in chinese hamster ovary cells(CHO).
50007308	8	ChEMBL_46805 (CHEMBL659692)	Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat CB1.
50007308	3	ChEMBL_46617 (CHEMBL658203)	Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylyl cyclase activity using African green monkey (COS-7) cells transfected with the cDNA of rat CB1 receptor
50007308	1	ChEMBL_46635 (CHEMBL658891)	Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) cells transfected with the cDNA of rat brain synaptosomal membrane preparations.
50007308	5	ChEMBL_46987 (CHEMBL658956)	Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) cells Chinese hamster ovary(CHO) cells transfected with the cDNA of human CB2
50007308	2	ChEMBL_46833 (CHEMBL657302)	Effective concentration for inhibition of human Cannabinoid receptor 2-mediated adenylyl cyclase using African green monkey (COS-7) cells transfected with the cDNA of human CB2 receptor
50007308	6	ChEMBL_46638 (CHEMBL658894)	Binding affinity of compound towards Cannabinoid receptor 1 in african green monkey COS-7 cells transfected with cDNA of rat CB1 receptor
50007308	4	ChEMBL_46982 (CHEMBL659749)	Binding affinity of compound towards Cannabinoid receptor 2 in african green monkey COS-7 cells transfected with cDNA of human CB2 receptor
50007311	1	ChEMBL_50693 (CHEMBL663238)	Inhibition of human placental microsome Cytochrome P450 19A1
50007311	2	ChEMBL_50543 (CHEMBL660322)	Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis
50007315	2	ChEMBL_50382 (CHEMBL661724)	Inhibition of human testicular microsomal Cytochrome P450 17A1
50007315	1	ChEMBL_50381 (CHEMBL661723)	Inhibition of human testicular microsomal Cytochrome P450 17A1
50042215	1	ChEMBL_217297 (CHEMBL873402)	Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.
50042215	2	ChEMBL_217298 (CHEMBL823919)	Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.
50005053	1	ChEMBL_36797 (CHEMBL650317)	Ability to displace [125I]AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1
50005054	2	ChEMBL_76067 (CHEMBL688289)	Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7
50005055	1	ChEMBL_76069 (CHEMBL688290)	Inhibition of K+ stimulated gastric ATPase activity
50005061	3	ChEMBL_28298 (CHEMBL644837)	In vitro inhibition of Acetylcholinesterase from human erythrocytes
50005061	2	ChEMBL_41423 (CHEMBL654403)	In vitro inhibition of Butyrylcholinesterase from human erythrocytes
50005061	4	ChEMBL_28142 (CHEMBL644926)	In vitro inhibition of Acetylcholinesterase from human erythrocytes
50005061	1	ChEMBL_41407 (CHEMBL653527)	In vitro inhibition of Butyrylcholinesterase from human serum
50005062	7	ChEMBL_63532 (CHEMBL677445)	Binding affinity measured in CHO cells stably transfected with the human endothelin B receptor
50005062	3	ChEMBL_64045 (CHEMBL677405)	Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing recombinant rat ET- B receptors
50042215	3	ChEMBL_217299 (CHEMBL823920)	Inhibition of alpha4-beta1 binding to VCAM-1 in ELISA.
50005063	3	ChEMBL_195475 (CHEMBL798152)	Transcriptional activation of Retinoic acid receptor RAR beta
50005063	2	ChEMBL_196751 (CHEMBL803332)	Transcriptional activation of Retinoid X receptor RXR alpha
50005063	1	ChEMBL_195987 (CHEMBL807693)	Transcriptional activation of Retinoic acid receptor RAR gamma
50005063	4	ChEMBL_197382 (CHEMBL799701)	Transcriptional activation of Retinoic acid receptor RAR alpha
50005065	1	ChEMBL_51031 (CHEMBL662244)	Apparent binding affinity for human placental Cytochrome P450 19A1
50036558	1	ChEMBL_2997 (CHEMBL872925)	In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex
50007246	2	ChEMBL_89416 (CHEMBL700463)	In vitro inhibition of ADP-induced (2.5 uM) human platelet aggregation.
50007248	1	ChEMBL_63833 (CHEMBL676221)	Binding Affinity to inhibit HLE
50007249	4	ChEMBL_156951 (CHEMBL762661)	Inhibition of Human Leukocyte Elastase
50007252	1	ChEMBL_160429 (CHEMBL763599)	Inhibition of Protein kinase C alpha
50036559	1	ChEMBL_144092 (CHEMBL857543)	Inhibition of Na+/K+ ATPase from dog kidney
50007256	1	ChEMBL_51208 (CHEMBL664327)	Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uM
50007256	3	ChEMBL_51206 (CHEMBL664325)	Inhibition of heterologously expressed human Cytochrome P450 19A1 at 100 uM
50007257	1	ChEMBL_1697 (CHEMBL616904)	Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]5-HT displacement.
50007257	2	ChEMBL_1682 (CHEMBL617042)	Measurement of agonist induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.
50007257	3	ChEMBL_1612 (CHEMBL616637)	Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]5-HT binding displacement.
50007258	4	ChEMBL_1674 (CHEMBL881820)	Stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing 5-hydroxytryptamine 1D receptor
50007258	8	ChEMBL_1613 (CHEMBL616638)	Compound was evaluated for the affinity at 5-hydroxytryptamine 1B receptor
50007258	6	ChEMBL_1696 (CHEMBL616903)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50007258	1	ChEMBL_1561 (CHEMBL616382)	Compound was evaluated for the affinity at 5-hydroxytryptamine 1A receptor
50007258	2	ChEMBL_1698 (CHEMBL616905)	Compound was evaluated for the affinity at 5-hydroxytryptamine 1D receptor
50007258	5	ChEMBL_1675 (CHEMBL616665)	Compound was evaluated for the stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor.
50007259	3	ChEMBL_157792 (CHEMBL768774)	Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human platelets
50007259	4	ChEMBL_157791 (CHEMBL767849)	Inhibition of [3H]PGD-2 specific binding to Prostaglandin D2 receptor from human platelet membranes
50036561	1	ChEMBL_200024 (CHEMBL810713)	Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.
50036561	3	ChEMBL_199996 (CHEMBL810880)	Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.
50036561	2	ChEMBL_199837 (CHEMBL805735)	In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding
50007264	1	ChEMBL_1341 (CHEMBL616526)	Binding affinity for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]GR-125743 as radioligand
50005078	1	ChEMBL_29093 (CHEMBL636831)	In vitro inhibitory effect on rat Acetylcholinesterase
50007264	2	ChEMBL_1340 (CHEMBL872908)	Binding affinity for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]5-CT as radioligand
50007264	4	ChEMBL_1709 (CHEMBL616916)	Binding affinity for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]5-CT as radioligand
50007264	3	ChEMBL_908 (CHEMBL615757)	Binding affinity for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]8-OH-DPAT as radioligand
50036562	8	ChEMBL_59623 (CHEMBL670959)	Inhibitory constant of compound in presence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	1	ChEMBL_59617 (CHEMBL670953)	Inhibitory constant of compound in absence of Gpp(NH)p calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	15	ChEMBL_59630 (CHEMBL670822)	Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 1 nM)
50036562	12	ChEMBL_59629 (CHEMBL670821)	Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 1 uM)
50036562	13	ChEMBL_59615 (CHEMBL670951)	Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 1 nM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	2	ChEMBL_59620 (CHEMBL670956)	Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	5	ChEMBL_59619 (CHEMBL670955)	Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	9	ChEMBL_59618 (CHEMBL670954)	Inhibitory constant of compound in absence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	10	ChEMBL_59632 (CHEMBL670824)	Percentage of receptor in the low affinity form for the compound to Dopamine receptor D2 in absence of Gpp(NH)p (pre treated with 100 nM)
50036562	3	ChEMBL_59492 (CHEMBL670144)	Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	16	ChEMBL_59491 (CHEMBL670143)	Inhibitory constant of compound in absence of Gpp(NH)p (Pre treated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	7	ChEMBL_59621 (CHEMBL670957)	Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 1 uM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	4	ChEMBL_59624 (CHEMBL670960)	Inhibitory constant of compound in presence of Gpp(NH)p calculated for the low affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	11	ChEMBL_59616 (CHEMBL670952)	Inhibitory constant of compound in absence of Gpp(NH)p (Pretreated with 100 nM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036562	6	ChEMBL_59622 (CHEMBL670958)	Inhibitory constant of compound in presence of Gpp(NH)p (Pre treated with 1 nM) calculated for the high affinity components of the [3H]spiroperidol binding to Dopamine receptor D2
50036563	1	ChEMBL_46613 (CHEMBL875534)	Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF)
50036563	2	ChEMBL_46612 (CHEMBL659663)	Binding affinity for Cannabinoid receptor 1 in absence of phenylmethylsulfonyl fluoride (PMSF)
50036565	9	ChEMBL_3173 (CHEMBL617701)	Inhibition of radiolabeled [3H]-Zacopride ligand binding to 5-hydroxytryptamine 3 receptor
50036566	4	ChEMBL_208549 (CHEMBL814318)	Inhibition of Thrombin
50036566	1	ChEMBL_212860 (CHEMBL817812)	In vitro inhibition of human trypsin.
50005081	2	ChEMBL_201917 (CHEMBL808206)	Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand
50005082	1	ChEMBL_159318 (CHEMBL769371)	Inhibition of HIV protease
50005087	1	ChEMBL_53735 (CHEMBL663660)	In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase.
50007279	1	ChEMBL_52851 (CHEMBL664375)	Inhibition of Pneumocystis carinii Dihydrofolate Reductase
50007279	3	ChEMBL_53311 (CHEMBL665695)	Inhibition of Toxoplasma gondii Dihydrofolate Reductase
50007281	3	ChEMBL_143827 (CHEMBL748712)	Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells
50007284	2	ChEMBL_212515 (CHEMBL817580)	In vitro inhibitory activity against bovine trypsin
50036569	1	ChEMBL_28847 (CHEMBL646709)	Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.
50036569	2	ChEMBL_28848 (CHEMBL646710)	Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex
50036569	3	ChEMBL_32149 (CHEMBL646276)	Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand
50005094	2	ChEMBL_62296 (CHEMBL675218)	In vitro binding affinity is the ability to displace [3H]spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.
50005094	3	ChEMBL_62295 (CHEMBL675217)	In vitro binding affinity is the ability to displace [3H]spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells
50036571	3	ChEMBL_72759 (CHEMBL874131)	Inhibition of Glutathionylspermidine synthetase from Escherichia coli, value taken from literature
50036572	3	ChEMBL_62007 (CHEMBL671629)	In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue
50036572	2	ChEMBL_201651 (CHEMBL806552)	In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue
50036572	1	ChEMBL_142954 (CHEMBL750806)	In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue
50007323	8	ChEMBL_213558 (CHEMBL817828)	Binding to vesicular acetylcholine transporter of torpedo synaptic vesicles
50036574	1	ChEMBL_48103 (CHEMBL663090)	Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.
50036574	2	ChEMBL_48606 (CHEMBL659587)	Compound was tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells.
50036574	5	ChEMBL_48586 (CHEMBL662466)	Inhibition of inositol phosphate production induced by Cholecystokinin type B receptor (0.5 nM)
50036574	8	ChEMBL_48608 (CHEMBL659589)	Compounds were tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells.
50036574	7	ChEMBL_48096 (CHEMBL663083)	Binding affinity (affinity state 1) for Cholecystokinin type B receptor, was determined using CHO cells
50036575	1	ChEMBL_148386 (CHEMBL757381)	Inhibitory potency against Opioid receptor mu 1 was determined in electrically induced strips of guinea pig ileum (GPI)
50036575	2	ChEMBL_146770 (CHEMBL857690)	Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain
50036575	4	ChEMBL_145898 (CHEMBL750387)	Inhibitory potency against Opioid receptor delta 1 was determined in electrically induced smooth muscle contractions of mouse vas deferens (MVD)
50036575	3	ChEMBL_148691 (CHEMBL751064)	Inhibition of binding of radioligand [3H]CTOP to Opioid receptor mu 1 in rat brain
50007329	3	ChEMBL_1595 (CHEMBL617005)	Agonist activity at 5-hydroxytryptamine 1B receptor by measuring the inhibition of forskolin-stimulated cAMP formation
50007329	1	ChEMBL_1729 (CHEMBL616934)	Receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor in Cos-7 cells
50007329	4	ChEMBL_1358 (CHEMBL616431)	Receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor in Cos-7 cells
50007329	2	ChEMBL_954 (CHEMBL616133)	Receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor in HeLa cells
50036577	1	ChEMBL_157727 (CHEMBL763400)	Inhibitory activity against HIV-1 protease
50044012	1	ChEMBL_70989 (CHEMBL680567)	Inhibitory activity against rabbit muscle glycogen phosphorylase
50007340	3	ChEMBL_68483 (CHEMBL682232)	Inhibitory activity against recombinant human farnesyltransferase
50007341	5	ChEMBL_158975 (CHEMBL763742)	Micro molar potency to inhibit human cytomegalovirus (HCMV) protease
50007342	1	ChEMBL_212193 (CHEMBL817756)	Inhibitory concentration of the compounds against Bovine trypsin enzyme.
50036578	36	ChEMBL_142599 (CHEMBL750565)	Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic)
50036578	5	ChEMBL_142900 (CHEMBL882328)	Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)
50036578	45	ChEMBL_144042 (CHEMBL883540)	Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)
50036578	37	ChEMBL_143702 (CHEMBL756002)	Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)
50036578	35	ChEMBL_143565 (CHEMBL755476)	Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)
50036578	8	ChEMBL_144183 (CHEMBL749304)	Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)
50036578	42	ChEMBL_216977 (CHEMBL822794)	Functional potency for nAChR subtype Alpha-1-beta-1-delta gamma (torpedo)
50036578	40	ChEMBL_143698 (CHEMBL754233)	Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brain
50036578	39	ChEMBL_143560 (CHEMBL755332)	Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor alpha4-beta2
50036578	32	ChEMBL_143541 (CHEMBL754719)	Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2
50036578	41	ChEMBL_216979 (CHEMBL822796)	Binding potency for nAChR subtype Alpha-1-beta-1-delta gamma(torpedo)
50036578	20	ChEMBL_144182 (CHEMBL749563)	Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)
50036578	17	ChEMBL_144041 (CHEMBL751077)	Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)
50036578	34	ChEMBL_143543 (CHEMBL754721)	Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor alpha4-beta2
50036578	2	ChEMBL_142603 (CHEMBL750569)	Compound was evaluated for functional potency and efficacy at human muscle type Nicotinic acetylcholine receptor in TE671 cells
50036578	38	ChEMBL_216980 (CHEMBL822797)	Binding potency for nAChR subtype Alpha-1-beta-1-delta-gamma (torpedo)
50036578	33	ChEMBL_143564 (CHEMBL755336)	Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor alpha4-beta2
50005101	3	ChEMBL_51852 (CHEMBL664075)	Compound is evaluated for inhibitory potency against Cruzaine
50005101	4	ChEMBL_48683 (CHEMBL658353)	Compound is evaluated for inhibitory potency against cathepsin S
50005101	2	ChEMBL_48522 (CHEMBL663369)	Compound is evaluated for inhibitory potency against cathepsin L
50005101	5	ChEMBL_47625 (CHEMBL659834)	Compound is evaluated for inhibition kinetic constant Ki for the cathepsin B
50005101	6	ChEMBL_47626 (CHEMBL659835)	Compound is evaluated for inhibitory potency against cathepsin B
50005101	1	ChEMBL_48535 (CHEMBL660280)	Compound is evaluated for inhibitory potency against cathepsin O2
50036578	44	ChEMBL_216976 (CHEMBL822793)	Functional potency for nAChR subtype Alpha1-beta1 delta gamma (torpedo)
50036578	31	ChEMBL_143563 (CHEMBL755335)	Compound was evaluated for functional potencies and efficacies at ratNicotinic acetylcholine receptor alpha4-beta2
50007346	14	ChEMBL_79620 (CHEMBL693549)	Cross Resistance (antiviral activity) with K103N (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	10	ChEMBL_79618 (CHEMBL693547)	Cross Resistance (antiviral activity) with A98G (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	4	ChEMBL_195843 (CHEMBL799142)	The quantity of compound required to reduce WT Reverse transcriptase activity by 50%
50007346	8	ChEMBL_79619 (CHEMBL693548)	Cross Resistance (antiviral activity) with K101E (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	18	ChEMBL_79623 (CHEMBL693709)	Cross Resistance (antiviral activity) with L74V (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	7	ChEMBL_79628 (CHEMBL884232)	Cross Resistance (antiviral activity) with Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	9	ChEMBL_79629 (CHEMBL693714)	Cross Resistance (antiviral activity) with Y188C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	20	ChEMBL_79624 (CHEMBL693710)	Cross Resistance (antiviral activity) with V106A (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	3	ChEMBL_197262 (CHEMBL804178)	Cross Resistance (antiviral activity) with NL4-3(WT) NNRTI (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	16	ChEMBL_79621 (CHEMBL693550)	Cross Resistance (antiviral activity) with L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	21	ChEMBL_79625 (CHEMBL693711)	Cross Resistance (antiviral activity) with V108I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	2	ChEMBL_79485 (CHEMBL689898)	Cross Resistance (antiviral activity) with 4xAZT/L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	5	ChEMBL_79626 (CHEMBL693712)	Cross Resistance (antiviral activity) with V108I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate v
50007346	15	ChEMBL_79630 (CHEMBL693715)	Cross Resistance (antiviral activity) with Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	19	ChEMBL_79633 (CHEMBL695507)	Cross Resistance (antiviral activity) with K101E (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	6	ChEMBL_79627 (CHEMBL693713)	Cross Resistance (antiviral activity) with V179D (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50000844	1	ChEBML_1696268	Inhibition of p53 binding to MDM2 (unknown origin) after 30 mins by SPR analysis
50007346	12	ChEMBL_79486 (CHEMBL689899)	Cross Resistance (antiviral activity) with 4xAZT/Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	1	ChEMBL_79484 (CHEMBL689897)	Cross Resistance (antiviral activity) with 4xAZT (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	13	ChEMBL_79632 (CHEMBL695506)	Cross Resistance (antiviral activity) with A98G (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50007346	11	ChEMBL_79631 (CHEMBL695505)	Cross Resistance (antiviral activity)of the compound with 4xAZT/Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay
50036579	4	ChEMBL_62884 (CHEMBL673594)	In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 high)
50036579	1	ChEMBL_62885 (CHEMBL673595)	In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the antagonist [3H]spiperone + GTP to label the low affinity state (D2 low)
50005107	1	ChEMBL_158042 (CHEMBL768266)	Competitive inhibitory activity against HIV-1 protease
50005112	4	ChEMBL_68424 (CHEMBL682870)	Inhibition of [3H]baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum
50005112	1	ChEMBL_68568 (CHEMBL679655)	Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor of rat cortex
50005112	2	ChEMBL_68423 (CHEMBL680339)	Inhibition of [3H]CGP-27492 binding to cat Gamma-aminobutyric acid type B receptor
50005115	1	ChEMBL_86913 (CHEMBL699051)	In vitro antagonism of the histamine H3-receptor in the rat cerebral cortex.
50005117	1	ChEMBL_89079 (CHEMBL698590)	The compound was evaluated in vitro for the immunosuppressive activity in interleukin-2 by interleukin-2 reporter gene assay (IL2-RGA)
50007350	1	ChEMBL_197283 (CHEMBL804270)	Inhibitory concentration against HIV-1 reverse transcriptase
50005118	4	ChEMBL_197075 (CHEMBL806663)	Effective concentrations against Retinoic acid receptor RXR-beta
50005118	1	ChEMBL_197234 (CHEMBL801380)	Effective concentrations against Retinoic acid receptor RXR-gamma
50005118	3	ChEMBL_197073 (CHEMBL806661)	Effective concentrations against Retinoid X receptor RXR beta
50005118	5	ChEMBL_195306 (CHEMBL799862)	Relative activity against Retinoic acid receptor RAR alpha compared to ATRA
50005124	26	ChEMBL_33747 (CHEMBL647665)	Binding affinity against Alpha-1A adrenergic receptor from human clone
50005124	84	ChEMBL_32457 (CHEMBL643573)	Binding affinity against Alpha-1D adrenergic receptor, from human clones.
50005124	106	ChEMBL_33537 (CHEMBL648703)	Binding affinity against Alpha-2C adrenergic receptor from human clones.
50005124	5	ChEMBL_33683 (CHEMBL647840)	The compound was tested for binding affinity against alpha-2d-adrenoceptor, from rat clones.
50005124	102	ChEMBL_33631 (CHEMBL648089)	Compound was evaluated for inhibition of binding of [3H]-RX 821002 to Alpha-2 adrenergic receptor in porcine alpha2-clone
50005124	74	ChEMBL_33081 (CHEMBL647728)	Binding affinity against Alpha-2A adrenergic receptor, from human clones.
50005124	86	ChEMBL_33590 (CHEMBL647140)	The compound was tested for binding affinity against Alpha-1A adrenergic receptor from bovine clones.
50005124	72	ChEMBL_33589 (CHEMBL885356)	Binding affinity against Alpha-1A adrenergic receptor from bovine clone
50005124	70	ChEMBL_32732 (CHEMBL646003)	Binding affinity against Alpha-1D adrenergic receptor, from rat clones.
50005124	81	ChEMBL_34466 (CHEMBL651998)	The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from human clones.
50005124	6	ChEMBL_33682 (CHEMBL647839)	The compound was tested for binding affinity against alpha-2D adrenergic receptor, from rat clones.
50005124	25	ChEMBL_33746 (CHEMBL647664)	The compound was tested for binding affinity against Alpha-1A adrenergic receptor from human clones.
50005124	64	ChEMBL_33038 (CHEMBL648053)	Compound was evaluated for inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in bovine pineal
50005124	73	ChEMBL_33080 (CHEMBL647727)	The compound was tested for binding affinity against Alpha-2A adrenergic receptor from human clones.
50005124	83	ChEMBL_34035 (CHEMBL873057)	Overall binding displacement in tissues containing only the Alpha-1A adrenergic receptor from rat submaxillary gland
50005124	63	ChEMBL_33037 (CHEMBL648052)	Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pineal
50005124	87	ChEMBL_32274 (CHEMBL644542)	Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver)
50005124	13	ChEMBL_33045 (CHEMBL648059)	Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in bovine pineal
50005124	96	ChEMBL_33630 (CHEMBL648088)	Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in porcine alpha2-clone
50007357	6	ChEMBL_184445 (CHEMBL790105)	In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]DAU as radioligand
50007357	3	ChEMBL_62498 (CHEMBL677555)	Displacement of [3H]WIN-35 428 from the dopamine transporter in rat caudate putamen.
50007357	1	ChEMBL_138953 (CHEMBL742765)	Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat
50005124	100	ChEMBL_33538 (CHEMBL648704)	The compound was tested for binding affinity against alpha-2C-adrenoceptor, from human clones.
50036582	4	ChEMBL_62316 (CHEMBL677518)	Dissociation constant(KD) of [3H]WIN-35428 at saturation in rat caudate-putamen tissue pre-incubated in buffer at 100 nM (Dopamine transporter)
50036582	1	ChEMBL_61843 (CHEMBL884449)	Binding affinity was evaluated using [3H]WIN-35428 binding to dopamine transporter (DAT) in rat caudate-putamen
50036582	5	ChEMBL_62314 (CHEMBL679735)	Dissociation constant(KD) of [3H]WIN-35428 at saturation in rat caudate-putamen tissue pre-incubated in buffer (Dopamine transporter)
50007361	5	ChEMBL_156453 (CHEMBL764831)	Inhibition of Phosphodiesterase 3 from bovine heart
50005124	104	ChEMBL_33632 (CHEMBL648090)	Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in porcine alpha2-clone
50007361	1	ChEMBL_155184 (CHEMBL761831)	Inhibition of phosphodiesterase 5 from bovine lung
50007362	2	ChEMBL_91742 (CHEMBL874146)	Inhibitory constant against Kynurenine 3-hydroxylase
50007363	3	ChEMBL_28838 (CHEMBL649104)	Ability to inhibit binding of [3H]CHA to adenosine A1 receptor in rat brain cortical membranes.
50007363	4	ChEMBL_28839 (CHEMBL876556)	Ability to inhibit binding of [3H]R-PIA to Adenosine A1 receptor in rat brain cortical membranes
50007363	1	ChEMBL_32142 (CHEMBL646352)	Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.
50007363	2	ChEMBL_32143 (CHEMBL646353)	Ability to inhibit binding of [3H]NECA to Adenosine A2A receptor in rat brain striatal membranes
50005126	1	ChEMBL_46332 (CHEMBL662623)	In vitro inhibition of carnitine palmitoyltransferase I with respect to palmitoyl CoA in rat
50036583	1	ChEMBL_62488 (CHEMBL677380)	Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen tissue
50036583	2	ChEMBL_61850 (CHEMBL670037)	Compound was evaluated for its ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putamen tissue
50036584	1	ChEMBL_1354 (CHEMBL616539)	Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor
50006949	2	ChEMBL_1130 (CHEMBL616075)	Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-DPAT from the central 5-hydroxytryptamine 1A receptor recognition site in rat frontal cortex homogenate.
50006949	1	ChEMBL_62255 (CHEMBL675482)	In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in rat striatum.
50006962	1	ChEMBL_48699 (CHEMBL657992)	Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.
50006967	2	ChEMBL_52985 (CHEMBL665254)	Inhibitory concentration against Dihydrofolate reductase from Pneumocystis carinii (pc)
50006967	3	ChEMBL_53466 (CHEMBL665591)	Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (tg)
50036585	3	ChEMBL_3253 (CHEMBL619759)	5-hydroxytryptamine 4 receptor antagonist activity, concentration which gave 50% reduction of the 5-HT-induced contractions in the guinea pig ileum
50036585	4	ChEMBL_3243 (CHEMBL618929)	5-hydroxytryptamine 4 receptor agonist activity, concentration which gave 50% increase in the response to electrically-stimulated myenteric plexus and longitudinal muscle of the guinea pig ileum
50036585	2	ChEMBL_3340 (CHEMBL619040)	Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand
50036585	1	ChEMBL_2981 (CHEMBL621308)	Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.
50036586	4	ChEMBL_49725 (CHEMBL661967)	Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes
50036586	2	ChEMBL_48602 (CHEMBL656925)	Affinity to inhibit [3H]pCCK-8 specific binding on rat brain Cholecystokinin type B receptor expressed in CHO cells
50036586	1	ChEMBL_48440 (CHEMBL662105)	Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor
50036586	3	ChEMBL_48095 (CHEMBL663082)	Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor
50036587	7	ChEMBL_46299 (CHEMBL661068)	Binding affinity against the cannabinoid receptor in the presence of PMSF (experiment 2)
50036587	2	ChEMBL_46295 (CHEMBL661064)	Binding affinity against the cannabinoid receptor
50036587	3	ChEMBL_46300 (CHEMBL661069)	Binding affinity against the cannabinoid receptor in the presence of PMSF (expt 3)
50036587	1	ChEMBL_46811 (CHEMBL659697)	In vitro binding affinity was determined against rat brain Cannabinoid receptor 1
50036587	5	ChEMBL_46297 (CHEMBL661066)	Binding affinity against the cannabinoid receptor in the presence of PMSF
50036587	6	ChEMBL_46298 (CHEMBL661067)	Binding affinity against the cannabinoid receptor in the presence of PMSF (expt 1)
50036587	8	ChEMBL_46301 (CHEMBL663445)	Binding affinity against the cannabinoid receptor in the presence of PMSF (expt 4)
50036587	10	ChEMBL_46454 (CHEMBL877676)	Binding affinity against the cloned human Cannabinoid receptor 1
50036587	4	ChEMBL_46302 (CHEMBL663446)	Binding affinity against the cannabinoid receptor (expt 1)
50006990	2	ChEMBL_208944 (CHEMBL814563)	Binding affinity against recombinant thymidylate synthase in Escherichia coli
50006990	1	ChEMBL_209646 (CHEMBL811587)	Binding affinity against recombinant human thymidylate synthase
50005132	1	ChEMBL_202122 (CHEMBL808979)	In vitro for inhibitory activity against Squalene synthase in rat
50006991	2	ChEMBL_31321 (CHEMBL644874)	In vitro inhibitory activity against rat kidney aldehyde reductase(ALR).
50036588	5	ChEMBL_145762 (CHEMBL752780)	Agonist activity was evaluated in guinea pig ileum (GPI) preparations at Opioid receptor delta 1
50036588	3	ChEMBL_146769 (CHEMBL755213)	Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1
50036588	2	ChEMBL_148690 (CHEMBL857686)	Inhibition of radioligand [3H]DAMGO binding to rat brain Opioid receptor mu 1 using 100 nM DAMGO
50036588	4	ChEMBL_145763 (CHEMBL752781)	Agonist activity was evaluated in mouse vas deferens (MVD) preparations at Opioid receptor delta 1
50036588	1	ChEMBL_146976 (CHEMBL757515)	Agonist activity was evaluated in guinea pig ileum (GPI) preparations at Opioid receptor mu 1
50006993	10	ChEMBL_52730 (CHEMBL884348)	Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions
50006993	1	ChEMBL_62174 (CHEMBL672113)	Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]dopamine on synaptosomes obtained from rat caudate.
50006993	2	ChEMBL_62172 (CHEMBL675169)	Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-5-HT on synaptosomes obtained from whole rat brain minus cerebellum.
50006993	6	ChEMBL_61835 (CHEMBL673205)	Binding affinity at the dopamine transporter using [125I]RTI-55 in rat caudate membranes.
50006993	4	ChEMBL_52731 (CHEMBL663149)	Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]dopamine in nonstandard conditions on brain membranes obtained from rat
50006993	9	ChEMBL_61847 (CHEMBL670034)	Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55 in nonstandard conditions
50006993	3	ChEMBL_62173 (CHEMBL675170)	Reuptake inhibition was determined at the dopamine transporter labeled with radioligand [3H]dopamine in nonstandard conditions on brain membranes obtained from rat
50006993	7	ChEMBL_61846 (CHEMBL670183)	Binding affinity was determined at the dopamine transporter labeled with radioligand [125 I] RTI-55
50006994	5	ChEMBL_89284 (CHEMBL879040)	Inhibition of 17.5 uM ADP-induced platelet aggregation of human platelet-rich plasma
50006994	4	ChEMBL_70369 (CHEMBL677194)	Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate
50036589	2	ChEMBL_145284 (CHEMBL751220)	Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DAMGO from Opioid receptor mu 1
50036589	3	ChEMBL_147153 (CHEMBL758178)	Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]DPDPE from Opioid receptor delta 1
50036589	1	ChEMBL_146524 (CHEMBL753836)	Binding affinity was determined in a crude membrane preparation from guinea pig brain by displacement of [3H]U-69593 from Opioid receptor kappa 1
50007005	3	ChEMBL_158755 (CHEMBL772917)	Inhibition activity against recombinant human Prostaglandin G/H synthase 1
50007026	1	ChEMBL_197278 (CHEMBL804265)	Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primer
50036590	2	ChEMBL_208888 (CHEMBL814945)	Binding affinity towards thrombin
50036591	2	ChEMBL_139075 (CHEMBL745670)	Displacement of [3H]pirenzepine binding at Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.
50036591	3	ChEMBL_193486 (CHEMBL802636)	[3H]-Dopamine uptake inhibition in rat caudate putamen
50036591	1	ChEMBL_62499 (CHEMBL677556)	Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen
50005138	6	ChEMBL_61934 (CHEMBL675122)	Binding affinity against Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand
50005138	4	ChEMBL_2024 (CHEMBL617319)	Binding affinity against 5-hydroxytryptamine 1D receptor beta using rabbit saphenous vein assay.
50005138	5	ChEMBL_58502 (CHEMBL671997)	Binding affinity against dopamine receptor D1 in rat striatum using [3H]SCH-23390 as radioligand
50005138	3	ChEMBL_890 (CHEMBL615802)	Binding affinity against 5-hydroxytryptamine 1 receptor using rabbit jugular vein assay in the absence of endothelium
50005138	1	ChEMBL_1995 (CHEMBL617598)	Binding affinity against 5-hydroxytryptamine 1D receptor beta using rabbit saphenous vein assay.
50036592	1	ChEMBL_62500 (CHEMBL677557)	Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Putamen
50007012	1	ChEMBL_149174 (CHEMBL762089)	Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]oxytocin
50036594	2	ChEMBL_90875 (CHEMBL699308)	Inhibitory concentration against HIV-1 integrase by strand transfer method
50036594	1	ChEMBL_88607 (CHEMBL701186)	Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method
50036594	5	ChEMBL_88606 (CHEMBL701185)	Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing
50007016	6	ChEMBL_90881 (CHEMBL699313)	Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay (experiment 2)
50007016	3	ChEMBL_90879 (CHEMBL699312)	Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay
50007016	1	ChEMBL_90887 (CHEMBL696660)	Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay (experiment 2)
50007016	5	ChEMBL_90886 (CHEMBL696659)	Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay (experiment 1)
50007016	4	ChEMBL_90885 (CHEMBL699317)	Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay
50007016	7	ChEMBL_90880 (CHEMBL878458)	Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay (experiment 1)
50007016	2	ChEMBL_90889 (CHEMBL697788)	Inhibitory concentration against purified recombinant integrase by strand transferrin vitro assay
50007017	1	ChEMBL_90707 (CHEMBL702106)	Inhibition of HIV-1 integrase enzyme by 3'-processing method
50007017	5	ChEMBL_90710 (CHEMBL702109)	Inhibition of HIV-1 integrase enzyme
50007017	3	ChEMBL_90712 (CHEMBL702111)	Inhibition of HIV-1 integrase enzyme by integration method (experiment 2)
50007017	4	ChEMBL_90564 (CHEMBL702421)	Inhibition of HIV-1 integrase enzyme by integration method
50007017	6	ChEMBL_90708 (CHEMBL702107)	Inhibition of HIV-1 integrase enzyme by 3'-processing method (experiment 1)
50007017	7	ChEMBL_90709 (CHEMBL702108)	Inhibition of HIV-1 integrase enzyme by 3'-processing method (experiment 2)
50007017	2	ChEMBL_90711 (CHEMBL702110)	Inhibition of HIV-1 integrase enzyme by integration method (experiment 1)
50036595	6	ChEMBL_90895 (CHEMBL699508)	Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1
50036595	4	ChEMBL_90897 (CHEMBL699510)	Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2
50036595	8	ChEMBL_88777 (CHEMBL701808)	Inhibitory concentration of compound against 3' processing of HIV-2 integrase
50036595	2	ChEMBL_90890 (CHEMBL697789)	Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1
50036595	1	ChEMBL_90892 (CHEMBL701792)	Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2
50036595	3	ChEMBL_90893 (CHEMBL701793)	Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integrase
50036595	5	ChEMBL_90891 (CHEMBL701791)	Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1&2
50036595	12	ChEMBL_88780 (CHEMBL699438)	Inhibitory concentration of compound against strand transfer of HIV-1 integrase
50036595	7	ChEMBL_90896 (CHEMBL699509)	Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1&2
50036595	15	ChEMBL_88782 (CHEMBL699440)	Inhibitory concentration of compound against strand transfer of of HIV-2 integrase
50005147	3	ChEMBL_146339 (CHEMBL753788)	Inhibition against Opioid receptor delta 1 using [3H]DPDPE radioligand.
50005148	4	ChEMBL_52992 (CHEMBL665261)	Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Pneumocystis carinii.
50005148	6	ChEMBL_55140 (CHEMBL668783)	Inhibitory activity against purified dihydrofolate reductase from rat
50005148	3	ChEMBL_53480 (CHEMBL665605)	Inhibitory activity against purified Dihydrofolate reductase from Toxoplasma gondii.
50005148	5	ChEMBL_53478 (CHEMBL665603)	Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Toxoplasma gondii
50005148	7	ChEMBL_52993 (CHEMBL664424)	Inhibitory activity against purified dihydrofolate reductase from Pneumocystis carinii.
50005148	1	ChEMBL_55139 (CHEMBL668782)	Inhibitory activity against purified DHFR (Dihydrofolate reductase) from rat
50005148	2	ChEMBL_53479 (CHEMBL665604)	Inhibitory activity against purified DHFR (Dihydrofolate reductase) from Toxoplasma gondii.
50036595	13	ChEMBL_90894 (CHEMBL701794)	Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integrase
50036595	9	ChEMBL_88781 (CHEMBL699439)	Inhibitory concentration of compound against strand transfer of HIV-2 integrase
50036596	15	ChEMBL_870 (CHEMBL615925)	Inhibition of forskolin-activated adenylate cyclase (cAMP) activity at 5-hydroxytryptamine 1A receptor in rat hippocampus
50036596	3	ChEMBL_571 (CHEMBL615589)	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampal membranes
50036596	26	ChEMBL_1321 (CHEMBL616698)	Binding affinity against rat 5-hydroxytryptamine 1A receptor
50036596	7	ChEMBL_869 (CHEMBL615924)	Inhibition of forskolin-activated adenylate cyclase (cAMP) activity at 5-hydroxytryptamine 1A receptor in rat hippocampus
50036596	11	ChEMBL_1849 (CHEMBL616820)	Inhibition of [3H]mesulergine binding to 5-hydroxytryptamine 1C receptor of pig choroid Plexus
50036596	18	ChEMBL_84717 (CHEMBL695165)	Inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat cortex
50036596	1	ChEMBL_201892 (CHEMBL808183)	Inhibition of [3H]DTG binding to sigma receptor in rat hippocampus
50036596	9	ChEMBL_61950 (CHEMBL671350)	Inhibition of [3H]spiperone binding to Dopamine receptor D3 in bovine cortex
50036596	5	ChEMBL_59490 (CHEMBL670142)	Inhibition of [3H]raclopride binding to Dopamine receptor D2 of bovine striatum
50036596	30	ChEMBL_3437 (CHEMBL619772)	Binding affinity of compound towards 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 (1 nM) ligand in NG cells 108-15 was determined
50036596	4	ChEMBL_60344 (CHEMBL671330)	Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 of bovine striatum
50036596	8	ChEMBL_573 (CHEMBL615443)	Binding affinity of compound towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT (0.5 nM) ligand in hippocampus + frontal bovine was determined
50005152	1	ChEMBL_196795 (CHEMBL802186)	In vitro for inhibitory activity against HIV-1 Reverse Transcriptase
50007023	3	ChEMBL_158764 (CHEMBL772925)	Inhibition of human Prostaglandin G/H synthase 1 at 10 ug/mL expressed as the mean percent inhibition of control PGE-2 production
50007023	8	ChEMBL_158726 (CHEMBL768734)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE2 production('+' indicates 90-110% inhibition)
50007023	1	ChEMBL_158727 (CHEMBL768735)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production (''++'' indicates 80-90% inhibition)
50007023	4	ChEMBL_158605 (CHEMBL766827)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production
50007024	2	ChEMBL_147192 (CHEMBL759365)	The binding affinity was measured using [3H]- TIPPsi against Opioid receptor delta 1
50007024	4	ChEMBL_147194 (CHEMBL756870)	The binding affinity was measured using [3H]naltrindole against Opioid receptor delta 1 of rat brain
50007024	3	ChEMBL_147193 (CHEMBL756869)	The binding affinity was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain
50007030	1	ChEMBL_193661 (CHEMBL800376)	Inhibition of uptake of [3H]5-HT in synaptosomes from rat cortex
50007031	4	ChEMBL_65465 (CHEMBL682105)	Binding affinity against human cloned endothelin A receptor expressed in LTK-cells
50018107	28	ChEMBL_2264470	Inhibition of recombinant human MAO-A using tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by amplex red reagent based fluorometric method
50007031	1	ChEMBL_63689 (CHEMBL670646)	Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors / CHO-K1 cells
50036599	1	ChEMBL_202888 (CHEMBL810006)	Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue
50036599	6	ChEMBL_202897 (CHEMBL807649)	Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 2
50036599	3	ChEMBL_202884 (CHEMBL810002)	Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride
50036599	8	ChEMBL_202886 (CHEMBL810004)	Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 2
50036599	11	ChEMBL_202896 (CHEMBL807648)	Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 1
50036599	9	ChEMBL_202898 (CHEMBL807650)	Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 3
50036599	4	ChEMBL_202885 (CHEMBL810003)	Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 1
50036599	12	ChEMBL_202887 (CHEMBL810005)	Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 3
50036599	7	ChEMBL_202895 (CHEMBL810012)	TInhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue in experiment 2
50007040	3	ChEMBL_47961 (CHEMBL656249)	Displacement of [125I]- BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex
50007041	2	ChEMBL_52850 (CHEMBL664374)	Inhibition against Dihydrofolate reductase in Pneumocystis carinii
50007041	1	ChEMBL_54961 (CHEMBL669621)	Inhibition against Dihydrofolate reductase in rat liver
50007041	3	ChEMBL_53327 (CHEMBL664913)	Inhibition against Dihydrofolate reductase in Toxoplasma gondii
50007043	1	ChEMBL_90715 (CHEMBL702114)	Inhibition of HIV-1 integrase-mediated 3'-processing
50007043	2	ChEMBL_90716 (CHEMBL701109)	Inhibition of HIV-1 integrase-mediated strand transfer
50005158	1	ChEBML_141662	Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes
50005160	8	ChEMBL_35665 (CHEMBL649515)	Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)
50005160	9	ChEMBL_47966 (CHEMBL653980)	Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from guinea pig brain membranes
50005160	10	ChEMBL_48594 (CHEMBL662474)	Inhibition of [125I]BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini
50005160	4	ChEBML_48594	Inhibition of [125I]BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini
50005160	3	ChEBML_48115	Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells
50005160	2	ChEMBL_48115 (CHEMBL663102)	Inhibition of [125I]BH-CCK- binding to cholecystokinin type B receptor from jurkat Tcells
50005160	7	ChEMBL_35664 (CHEMBL649514)	Tested in vitro for amylase release from rat pancreatic acini (% of amylase secretion at 1 mM)
50005160	1	ChEMBL_35666 (CHEMBL649516)	Tested in vitro for inhibition of amylase release from rat pancreatic acini
50005160	5	ChEMBL_47967 (CHEMBL657470)	Tested for inhibition of [125I]BH-CCK- binding to peripheral cholecystokinin type B receptor from rat pancreatic acini
50005161	3	ChEBML_146726	Binding affinity against delta opioid receptor from calf frontal cortex.
50005161	1	ChEBML_136067	Binding affinity against mu opioid receptor from calf frontal cortex.
50005161	2	ChEBML_145505	Binding affinity against kappa opioid receptor from calf frontal cortex.
50007045	3	ChEMBL_147134 (CHEMBL753763)	Binding affinity to Opioid receptor delta 1 by competitive inhibition of radioligand [3H]DPDPE using cloned receptors transiently expressed on CHO cells
50007045	6	ChEMBL_146384 (CHEMBL753180)	Binding affinity to Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]diprenorphine using cloned receptors transiently expressed on CHO cells
50007045	4	ChEMBL_147135 (CHEMBL754167)	Binding affinity of compound was measured on Opioid receptor delta 1 by competitive inhibition of radioligand [3H]DPDPE using cloned receptors transiently expressed on COS-7 (monkey kidney) cells
50007045	1	ChEMBL_145163 (CHEMBL753423)	Binding affinity of compound was measured on Opioid receptor mu 1 by competitive inhibition of radioligand [3H]DAMGO using cloned receptors transiently expressed on COS-7 (monkey kidney) cells
50007045	2	ChEMBL_145162 (CHEMBL753422)	Binding affinity to Opioid receptor mu 1 by competitive inhibition of radioligand [3H]DAMGO using cloned receptors transiently expressed on CHO cells
50007045	5	ChEMBL_146385 (CHEMBL753181)	Binding affinity of compound was measured on Opioid receptor kappa 1 by competitive inhibition of radioligand [3H]diprenorphine using cloned receptors transiently expressed on COS-7 (monkey kidney) cells
50036600	2	ChEMBL_138556 (CHEMBL746423)	Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line
50036600	6	ChEMBL_138671 (CHEMBL748968)	Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-S
50036600	5	ChEMBL_138672 (CHEMBL748051)	Binding affinity of [3H]-(R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the presence of 300 uM GTP-gamma-S
50036600	4	ChEMBL_138670 (CHEMBL748967)	Binding affinity (high) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-S
50036600	7	ChEMBL_138677 (CHEMBL748056)	Binding affinity of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the presence of 300 uM GTP-gamma-S
50036601	3	ChEMBL_62147 (CHEMBL675903)	Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as radioligand
50036601	2	ChEMBL_142961 (CHEMBL750813)	Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioligand
50036601	1	ChEMBL_201658 (CHEMBL803032)	Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as radioligand
50036602	1	ChEMBL_1425 (CHEMBL616505)	Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor
50007053	5	ChEMBL_160289 (CHEMBL769617)	Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus
50007053	3	ChEMBL_162085 (CHEMBL768276)	Inhibition of [3H]PDBu binding to PKC delta mutant Leu 20-Gly
50007053	6	ChEMBL_162088 (CHEMBL768279)	Inhibition of [3H]PDBu binding to PKC delta mutant Pro 11-Gly
50007053	8	ChEMBL_160789 (CHEMBL766600)	Displacement of [3H]- PDBu from recombinant PKC delta expressed in baculovirus
50007053	2	ChEMBL_162558 (CHEMBL768500)	Inhibition of [3H]PDBu binding to PKC delta wild type
50007053	7	ChEMBL_162084 (CHEMBL768275)	Inhibition of [3H]-PDBu binding to PKC delta mutant Gln 27-Val
50007056	1	ChEMBL_158753 (CHEMBL772766)	In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)
50005174	1	ChEMBL_53723 (CHEMBL663651)	Inhibition of bovine topoisomerase I, using cleavable complex assay.
50005174	2	ChEMBL_53720 (CHEMBL663648)	Inhibitory concentration against topoisomerase I obtained from calf thymus
50005177	4	ChEMBL_201264 (CHEMBL804882)	In vitro binding affinity measured on sigma opioid receptor using [3H]DTG as radioligand
50005177	3	ChEMBL_858 (CHEMBL615914)	In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.
50005177	1	ChEMBL_61444 (CHEMBL670670)	In vitro binding affinity measured on dopamine receptor D2 using [3H]spiroperidol as radioligand.
50005177	6	ChEMBL_61761 (CHEMBL670523)	The compound was evaluated for the binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.
50036604	3	ChEMBL_142969 (CHEMBL751449)	Displacement of [3H]nisoxetine from norepinephrine transporter (NET) in rat brain membranes
50036604	1	ChEMBL_201800 (CHEMBL806135)	Displacement of [3H]- paroxetine from serotonin transporter (5-HTT) in rat brain membranes
50036604	2	ChEMBL_62324 (CHEMBL674263)	Displacement of [3H]GBR-12935 from dopamine transporter (DAT) in rat brain membranes
50005179	1	ChEMBL_2647 (CHEMBL618896)	Binding affinity was measured against 5-hydroxytryptamine 2A receptor by displacement of [3H]- ketanserin by lysergic acid amides
50005179	2	ChEMBL_1145 (CHEMBL616090)	Binding affinity was measured against 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT by lysergic acid amides
50005179	3	ChEMBL_1529 (CHEMBL616163)	Binding affinity was measured against 5-hydroxytryptamine 2A receptor by displacement of [3H]- ketanserin by lysergic acid amides
50005183	2	ChEMBL_209795 (CHEMBL815661)	Inhibition of thymidylate synthase purified from mouse L1210 leukemia cells that overproduce thymidylate synthase (TS)
50005183	1	ChEMBL_209794 (CHEMBL815660)	Ability to inhibit Thymidylate synthase purified from mouse L1210 leukemia cells that overproduce thymidylate synthase (TS)
50005185	1	ChEMBL_96790 (CHEMBL703267)	Inhibition of HL-60 cell adhesion to purified ICAM-1 by LFA-1
50005185	2	ChEMBL_96792 (CHEMBL703269)	Inhibition of LFA-1 mediated HL60 cell adhesion to ICAM-1
50007367	1	ChEMBL_195658 (CHEMBL800042)	Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by triplicate assay at low (~0.1 pfu/cell) multiplicity of injection (moi)
50007367	2	ChEMBL_195536 (CHEMBL800983)	Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by triplicate assay at high (~1 pfu/cell) multiplicity of injection (moi)
50036605	1	ChEMBL_29005 (CHEMBL643479)	Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP
50036605	4	ChEMBL_28391 (CHEMBL639538)	Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranes
50036605	2	ChEMBL_29006 (CHEMBL643480)	Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP.
50036605	3	ChEMBL_29987 (CHEMBL881273)	Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes
50007378	1	ChEMBL_44489 (CHEMBL659129)	CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.
50036606	1	ChEMBL_50191 (CHEMBL663484)	Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas
50036606	2	ChEMBL_48268 (CHEMBL663173)	Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex
50044013	1	ChEMBL_30279 (CHEMBL640100)	Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor.
50044013	2	ChEMBL_27471 (CHEMBL642480)	Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor.
50044013	3	ChEMBL_30324 (CHEMBL638578)	Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.
50007374	3	ChEMBL_158347 (CHEMBL768491)	Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-PAF as radioligand on rabbit platelet membranes
50005194	1	ChEMBL_143852 (CHEMBL747209)	50% displacement of specifically bound [3H]NPY2 from rat brain membranes.
50007374	2	ChEMBL_158348 (CHEMBL768492)	The compound was evaluated for its binding affinity against PAF receptor in rabbit platelet
50007511	4	ChEMBL_210946 (CHEMBL813070)	Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc)
50007511	5	ChEMBL_210945 (CHEMBL813069)	Compound was tested for inhibition of V-ATPase from Chicken adrenal glands(cAG)
50007511	2	ChEMBL_210941 (CHEMBL812901)	Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc)
50018107	29	ChEMBL_2264471	Inhibition of recombinant human MAO-B using tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by amplex red reagent based fluorometric method
50018107	30	ChEMBL_2264472	Inhibition of equine serum BuchE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition and measured upto 3 mins by DTNB based Ellman's method
50018107	31	ChEMBL_2264473	Inhibition of electric eel AchE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition and measured upto 3 mins by DTNB based Ellman's method
50018107	32	ChEMBL_2264474	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins in dark followed by substrate addition and measured after 20 mins by amplex red reagent based fluorometric method
50018107	33	ChEMBL_2264475	Inhibition of recombinant human AchE using acetylthiocholine iodide as substrate and measured upto 2 mins by Ellman's method
50018107	34	ChEMBL_2264476	Inhibition of AchE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured upto 4 mins by Ellman's spectrophotometric method
50018107	35	ChEMBL_2264477	Inhibition of human MAO-A using tyramine as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorometric method
50007521	8	ChEMBL_195183 (CHEMBL801816)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR alpha
50007521	15	ChEMBL_195639 (CHEMBL795957)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR beta
50007521	7	ChEMBL_196495 (CHEMBL798309)	Inhibition of binding to retinoid X receptor RXR alpha
50007521	6	ChEMBL_195641 (CHEMBL795959)	Inhibition of binding to retinoid A receptor RAR beta
50007521	9	ChEMBL_195182 (CHEMBL801815)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR alpha
50007521	13	ChEMBL_196165 (CHEMBL804938)	Inhibition of binding to retinoid A receptor RAR gamma
50007521	4	ChEMBL_196493 (CHEMBL798307)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50007521	1	ChEMBL_196161 (CHEMBL804934)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR gamma
50036609	4	ChEMBL_89941 (CHEMBL699567)	The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 2
50036609	1	ChEMBL_89800 (CHEMBL698518)	The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 1
50036609	3	ChEMBL_89799 (CHEMBL698517)	The compound was tested for the inhibition towards IMP(Inosine 5'-monophosphate) substrate of Inosine-5'-monophosphate dehydrogenase 1
50036609	2	ChEMBL_89942 (CHEMBL699568)	The compound was tested for the inhibition towards NMD (Nicotinamide adenine dinucleotide) substrate of Inosine-5'-monophosphate dehydrogenase 2
50036610	2	ChEMBL_29131 (CHEMBL637553)	Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes.
50036610	3	ChEMBL_30611 (CHEMBL642018)	Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranes
50036610	1	ChEMBL_31057 (CHEMBL873042)	Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes.
50007527	1	ChEMBL_63486 (CHEMBL674777)	Steady state inhibition constant for Human Leukocyte Elastase inhibition
50007529	3	ChEMBL_72361 (CHEMBL686598)	Inhibition of binding to Grb2 SH2 domain
50007530	2	ChEMBL_105662 (CHEMBL718975)	Inhibition of MMP-9 (Matrix metalloprotease-9)
50007531	5	ChEMBL_105664 (CHEMBL718977)	Inhibition of Matrix metalloprotease-9
50007533	1	ChEMBL_66271 (CHEMBL678141)	Inhibitory binding activity against human Immunophilin-FK-506 binding protein 12
50007543	3	ChEMBL_215471 (CHEMBL878966)	Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG)
50007543	1	ChEMBL_215469 (CHEMBL816939)	Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).
50007543	4	ChEMBL_215472 (CHEMBL816941)	Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).
50036614	2	ChEMBL_62144 (CHEMBL675900)	Inhibition of high-affinity uptake of [3H]dopamine at dopamine transporter into rat striatal nerve endings (synaptosomes)
50036614	1	ChEMBL_61825 (CHEMBL672589)	Ability to displace [3H]WIN-35428 binding to dopamine transporter from rat striatal membranes
50007551	2	ChEMBL_158343 (CHEMBL768487)	Displacement of [3H]PAF from PAF receptor of human platelet membranes
50007552	1	ChEMBL_146799 (CHEMBL756054)	The compound was tested for antagonist activity by selective inhibition of [35S]GTP-gamma-S, binding in Guinea pig caudate stimulated by U69,593 to Opioid receptor kappa 1
50007552	2	ChEMBL_146678 (CHEMBL753170)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig membranes
50007552	3	ChEMBL_145428 (CHEMBL748773)	The compound was tested for antagonist activity by selective inhibition of [35S]GTP-gamma-S, binding to Opioid receptor mu 1 in Guinea pig caudate stimulated by DAMGO[mu]
50007552	4	ChEMBL_149136 (CHEMBL759227)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes
50007552	6	ChEMBL_147291 (CHEMBL755878)	The compound was tested for antagonist activity by selective inhibition of [35S]GTP-gamma-S, binding in Guinea pig caudate stimulated by SMC-80 (Opioid receptor delta 1)
50007552	5	ChEMBL_147174 (CHEMBL754473)	Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain membranes
50036616	3	ChEMBL_197448 (CHEMBL804233)	Compound was evaluated for 50% inhibition of HIV-RT (HIV reverse transcriptase)
50036616	5	ChEMBL_50635 (CHEMBL658102)	Compound was evaluated for the inhibition of cellular DNA polymerase (gamma)
50036616	4	ChEMBL_50621 (CHEMBL662220)	Compound was evaluated for 50% inhibition of DHBV DNA polymerase (duck hepatitis B virus)
50036616	1	ChEMBL_50631 (CHEMBL658098)	Compound was evaluated for the inhibition of cellular DNA polymerase (alpha)
50036616	6	ChEMBL_50632 (CHEMBL658099)	Compound was evaluated for the inhibition of cellular DNA polymerase (beta)
50036617	10	ChEMBL_139078 (CHEMBL745814)	Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes
50036617	25	ChEMBL_143704 (CHEMBL756004)	Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes
50036617	16	ChEMBL_139080 (CHEMBL745816)	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes at 100 uM concentration
50036617	13	ChEMBL_139634 (CHEMBL748247)	Inhibitory activity against [3H]quinuclidinyl Benzilate binding to Muscarinic acetylcholine receptor M2 in the absence of GTP
50036617	12	ChEMBL_140049 (CHEMBL745866)	Inhibition of binding of 0.1 nM [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes of transfected CHO cells in the presence of 10 uM GTP
50036617	11	ChEMBL_138938 (CHEMBL745918)	Affinity versus [3H]quinuclidinyl benzilate (antagonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.26 nM)
50036617	8	ChEMBL_139253 (CHEMBL745526)	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes
50036617	5	ChEMBL_138936 (CHEMBL746585)	Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)
50036617	20	ChEMBL_139079 (CHEMBL745815)	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes
50036617	27	ChEMBL_143707 (CHEMBL756007)	The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Cortical Membranes
50005204	2	ChEMBL_63705 (CHEMBL676631)	Tested for antagonistic activity against Endothelin B receptor in the humans (CHO expressed).
50005204	3	ChEMBL_63704 (CHEMBL878154)	Tested for antagonistic activity against Endothelin B receptor in human (CHO expressed).
50036617	3	ChEMBL_139081 (CHEMBL745817)	The compound was evaluated for inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes
50005204	1	ChEMBL_64180 (CHEMBL671687)	Tested for antagonistic activity against Endothelin B receptor in the rat cerebellum.
50036617	7	ChEMBL_140048 (CHEMBL745865)	Inhibition of binding of 0.1 nM [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes of transfected CHO cells in the absence of GTP
50036617	6	ChEMBL_140197 (CHEMBL745149)	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes
50036617	9	ChEMBL_138684 (CHEMBL748216)	Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscarinic acetylcholine receptor M1
50005205	1	ChEMBL_205568 (CHEMBL807901)	Antagonistic activity against human Tachykinin receptor 1
50005206	1	ChEMBL_158698 (CHEMBL763229)	Ability to inhibit prenylated protein methyltransferase (PPMTase) in cell free systems
50005207	1	ChEMBL_1174 (CHEMBL615940)	In vitro ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor sites of rat brain cortex.
50005210	2	ChEMBL_589 (CHEMBL615459)	Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus
50005210	1	ChEMBL_1553 (CHEMBL616375)	Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus
50036617	26	ChEMBL_143705 (CHEMBL756005)	Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes at 100 uM concentration
50036617	4	ChEMBL_139768 (CHEMBL748904)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M2
50036617	14	ChEMBL_139245 (CHEMBL746612)	Inhibitory activity against [3H]-cyclic AMP accumulation in CHO transfected cells mediated by Muscarinic acetylcholine receptor M4
50036617	18	ChEMBL_138937 (CHEMBL745917)	Affinity versus [3H]quinuclidinyl benzilate (antagonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes,
50036617	1	ChEMBL_138966 (CHEMBL742778)	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M3 in rat cerebral cortical membranes
50036617	24	ChEMBL_138179 (CHEMBL882169)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M2
50036617	22	ChEMBL_139635 (CHEMBL748248)	Inhibitory activity against [3H]quinuclidinyl Benzilate binding to Muscarinic acetylcholine receptor M2 in the presence of GTP
50036618	1	ChEMBL_68473 (CHEMBL682062)	Inhibition of the Farnesyltransferase
50036619	3	ChEMBL_53342 (CHEMBL664927)	Inhibitory activity against hydrolysis of Gly-Pro-pNa by Dipeptidyl peptidase IV purified from CD26-negative C8166 cells
50036619	2	ChEMBL_53348 (CHEMBL664932)	Inhibitory kinetic constant against Dipeptidyl peptidase IV purified from CD26-negative C8166 cells
50036619	4	ChEMBL_53347 (CHEMBL664931)	Inhibitory activity against hydrolysis of Gly-Pro-pNa by CD26 (dipeptidylpeptidase 4) purified from CEM H01 cells
50007563	1	ChEMBL_124237 (CHEMBL733840)	Inhibitory concentration of compound against monoamine oxidase B
50007563	4	ChEMBL_123282 (CHEMBL731803)	Inhibitory concentration against monoamine oxidase A.
50007564	10	ChEMBL_90338 (CHEMBL696391)	Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets
50005212	1	ChEMBL_29761 (CHEMBL636666)	Binding activity against Adenosine A1 receptor using [3H]-CHA as a radioligand.
50005212	2	ChEMBL_31070 (CHEMBL640430)	Binding activity against Adenosine A2A receptor using [3H]-CGS- 21680 as a radioligand.
50007564	5	ChEMBL_31863 (CHEMBL644092)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells
50007564	8	ChEMBL_30175 (CHEMBL642337)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells
50007565	7	ChEMBL_2494 (CHEMBL617381)	Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor using [3H]5-HT 2B as radioligand
50007565	1	ChEMBL_2965 (CHEMBL617905)	Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor using [3H]- mesulergine as radioligand
50007565	2	ChEMBL_2964 (CHEMBL617904)	Binding ability of compound at cloned human 5-hydroxytryptamine 2C receptor using [125 I]DOI as radioligand
50005214	1	ChEMBL_63217 (CHEMBL674069)	Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.
50007565	6	ChEMBL_2286 (CHEMBL872915)	Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand
50007565	9	ChEMBL_2285 (CHEMBL617071)	Binding ability of compound at cloned human 5-hydroxytryptamine 2A receptor using [125 I]DOI as radioligand
50036620	2	ChEMBL_200366 (CHEMBL805714)	Binding affinity towards human sst2 receptor expressed in CHO-K1 cells
50036620	3	ChEMBL_200516 (CHEMBL801020)	Binding affinity towards human sst4 receptor expressed in CHO-K1 cells
50036620	4	ChEMBL_200506 (CHEMBL803851)	Binding affinity towards human sst3 receptor expressed in CHO-K1 cells
50036620	1	ChEMBL_200359 (CHEMBL807426)	Binding affinity towards human sst1 receptor expressed in CHO-K1 cells
50036620	5	ChEMBL_200530 (CHEMBL806600)	Binding affinity towards human sst5 receptor expressed in CHO-K1 cells
50007570	9	ChEMBL_1585 (CHEMBL616996)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 cells
50007572	3	ChEMBL_105218 (CHEMBL715558)	Inhibition of gelatinase-B (Matrix metalloprotease-9)
50007572	4	ChEMBL_105951 (CHEMBL715365)	Inhibition of collagenase-1 (Matrix metalloprotease-1)
50007572	8	ChEMBL_105510 (CHEMBL715220)	Inhibition of Matrix Metalloprotease-9
50007572	6	ChEMBL_105659 (CHEMBL872796)	Inhibition of Matrix Metalloprotease-9
50007572	11	ChEMBL_104577 (CHEMBL715157)	Inhibition of stromelysin (Matrix metalloprotease-3)
50007576	4	ChEMBL_1719 (CHEMBL875909)	Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand
50007576	6	ChEMBL_1622 (CHEMBL616647)	Tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)
50007577	4	ChEMBL_216864 (CHEMBL816863)	Inhibition of c-Src tyrosine kinase.
50036624	1	ChEMBL_154149 (CHEMBL759819)	Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)
50036625	2	ChEMBL_61996 (CHEMBL670106)	Inhibition of dopamine Transporter Affinity against rat whole brain using [3H]WIN-35428 as radioligand
50036625	1	ChEMBL_142951 (CHEMBL750803)	Inhibition of norepinephrine Transporter Affinity against rat whole brain using [3H]nisoxetine radioligand
50036625	3	ChEMBL_201643 (CHEMBL806544)	Inhibition of serotonin Transporter Affinity against rat whole brain using [3H]paroxetine as radioligand
50007590	1	ChEMBL_28347 (CHEMBL643358)	In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes
50036627	1	ChEMBL_62475 (CHEMBL677367)	Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand in rat caudate-putamen tissue
50007597	1	ChEMBL_200969 (CHEMBL802057)	Inhibition of [3H](+)-pentazocine binding to sigma-1 receptor in guinea pig brain membranes
50007597	2	ChEMBL_200967 (CHEMBL802055)	Compound was evaluated for its inhibition constant from the competition binding assays for sigma-1 receptor in guinea pig membranes.
50007601	5	ChEMBL_139619 (CHEMBL744784)	Reversal of forskolin-stimulated accumulation of adenylate cyclase in transfected CHO cells, against Muscarinic acetylcholine receptor M2
50007602	3	ChEMBL_217278 (CHEMBL824294)	Binding affinity measured using LtK- cell membranes expressing GABA alpha-2-beta-3-gamma-2 receptor
50007602	8	ChEMBL_217293 (CHEMBL823761)	Binding affinity measured using LtK- cell membranes expressing GABA alpha-3-beta-3-gamma-2 receptor
50007602	6	ChEMBL_68434 (CHEMBL683046)	Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2
50007602	2	ChEMBL_70701 (CHEMBL685337)	Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2
50007602	5	ChEMBL_217130 (CHEMBL822162)	Binding affinity measured using LtK- cell membranes expressing GABA alpha-1-beta-3-gamma-2 receptor
50036628	3	ChEMBL_34525 (CHEMBL648166)	Inhibitory activity measured against alpha-glucosidase of rat liver ER glucosidase II by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	12	ChEMBL_34419 (CHEMBL649423)	Inhibitory activity measured against alpha-glucosidase of rat intestinal isomaltase by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	1	ChEMBL_34526 (CHEMBL648167)	Inhibitory activity measured against alpha-glucosidase of rat liver lysosomal by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	8	ChEMBL_34420 (CHEMBL649424)	Inhibitory activity measured against alpha-glucosidase of rat intestinal maltase by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	2	ChEMBL_34421 (CHEMBL649425)	Inhibitory activity measured against alpha-glucosidase of rat intestinal sucrase by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	4	ChEMBL_34564 (CHEMBL649328)	Compound was tested for binding affinity against alpha-glucosidase
50036628	10	ChEMBL_34390 (CHEMBL649260)	Inhibitory activity measured against alpha-glucosidase of rice by colorimetric assay using the D-glucose oxidase-peroxidase method
50007605	2	ChEMBL_52535 (CHEMBL665307)	Apparent Ki (binding affinity) was calculated for the compound against cytidine deaminase.
50007611	1	ChEMBL_158346 (CHEMBL768490)	In vitro inhibitory activity against PAF receptor using [3H]PAF as radioligand in rabbit platelets
50036629	2	ChEMBL_145498 (CHEMBL752140)	In vitro potency was measured against human Opioid receptor delta 1
50036629	3	ChEMBL_145269 (CHEMBL751206)	In vitro potency was measured against human Opioid receptor kappa 1
50036629	1	ChEMBL_148239 (CHEMBL753399)	In vitro potency was measured against human Opioid receptor mu 1
50036630	8	ChEMBL_71812 (CHEMBL683643)	Inhibition of bovine Geranylgeranyl transferase type I
50036630	6	ChEMBL_70298 (CHEMBL679700)	Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase
50036631	2	ChEMBL_43870 (CHEMBL658530)	Inhibitory activity against recombinant human Calpain-I receptor
50036631	3	ChEMBL_43866 (CHEMBL658526)	Inhibition of intracellular Calpain-I receptor using intact cell assay system
50036631	4	ChEMBL_47431 (CHEMBL662618)	Inhibitory activity against cathepsin B receptor in human liver
50007618	1	ChEMBL_1703 (CHEMBL616910)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50007618	2	ChEMBL_42200 (CHEMBL658301)	Agonist induced [35S]GTP-gamma-S, binding in CHO cells expressing 5-HT 1d receptor
50007621	7	ChEMBL_200360 (CHEMBL807427)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in CHO-K1 cells.
50007621	4	ChEMBL_200357 (CHEMBL807424)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst1) expressed in hSF6 cells.
50007621	9	ChEMBL_200518 (CHEMBL801022)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO-K1 cells.
50007621	10	ChEMBL_200863 (CHEMBL804582)	In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CHO-K1 cells.
50007621	3	ChEMBL_200514 (CHEMBL857606)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst4) expressed in CHO cells.
50007621	1	ChEMBL_200504 (CHEMBL803849)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO cells.
50007621	5	ChEMBL_200363 (CHEMBL807430)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO cells.
50007621	6	ChEMBL_200507 (CHEMBL883370)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst3) expressed in CHO-K1 cells.
50007621	8	ChEMBL_200859 (CHEMBL807068)	In vitro inhibition of radioligand binding to human Somatostatin receptor type 5 expressed in CCL-39 cells.
50005225	3	ChEMBL_3886 (CHEMBL619401)	5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using 5-HETE.
50005229	1	ChEMBL_152315 (CHEMBL758697)	Binding affinity towards porcine pancreatic elastase
50007621	2	ChEMBL_200368 (CHEMBL805716)	In vitro inhibition of radioligand binding to human somatostatin receptor (hsst2) expressed in CHO-K1 cells.
50007628	6	ChEMBL_1127 (CHEMBL616072)	Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]8-OH-DPAT as radioligand.
50007628	1	ChEMBL_60973 (CHEMBL671591)	Binding affinity against dopamine receptor D2 on rat striatum using [3H]spiperone as radioligand.
50005229	11	ChEMBL_212372 (CHEMBL817620)	Binding affinity against Trypsin
50036634	3	ChEMBL_159866 (CHEMBL765241)	Effective concentration for half-maximal activation of human progesterone receptor expressed in CV-1 cells
50005229	9	ChEMBL_213133 (CHEMBL817633)	Binding affinity against Urokinase plasminogen activator
50005229	8	ChEMBL_45358 (CHEMBL661894)	Binding affinity against cathepsin G
50036634	2	ChEMBL_159864 (CHEMBL765239)	Binding affinity for human progesterone receptor isoform A expressed in CV-1 cells
50005229	5	ChEMBL_48663 (CHEMBL657715)	Binding affinity against Coagulation factor X
50005229	12	ChEMBL_49451 (CHEMBL659799)	Binding affinity against Chymotrypsin
50007630	1	ChEMBL_160898 (CHEMBL771794)	Binding affinity against HRV-14 3C protease.
50007630	3	ChEMBL_160901 (CHEMBL771797)	Binding affinity was measured against HRV-89 3C protease
50007630	2	ChEMBL_160899 (CHEMBL771795)	Binding affinity was measured against HRV-16 3C protease
50005229	7	ChEMBL_155231 (CHEMBL764721)	Binding affinity against Plasmin
50007630	4	ChEMBL_160900 (CHEMBL771796)	Binding affinity was measured against HRV-2 3C protease
50007631	1	ChEMBL_160902 (CHEMBL771798)	Catalytic rate constant (Kobs/[I]) was evaluated against human rhinovirus (HRV) serotype 14 3C Protease (3CP)
50007633	5	ChEMBL_30000 (CHEMBL643011)	Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680
50007633	4	ChEMBL_31839 (CHEMBL641516)	Binding affinity at cloned human adenosine A3 receptor expressed in HEK293 cells was determined using [125I]AB-MECA as radioligand
50007633	2	ChEMBL_29303 (CHEMBL640364)	Binding affinity was determined in radioligand binding assay at rat brain adenosine A1 receptor vs [3H]R-PIA
50018107	36	ChEMBL_2264478	Inhibition of human MAO-B using tyramine as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorometric method
50007634	2	ChEMBL_90696 (CHEMBL702097)	HIV integrase inhibitory potency was evaluated as IC50 on 3' processing of target DNA.
50007634	1	ChEMBL_90700 (CHEMBL702101)	In vitro anti-HIV integrase activity against integration (strand transfer) of target plasmid.
50007634	3	ChEMBL_90699 (CHEMBL702100)	In vitro anti-HIV integrase activity against 3' processing of target plasmid.
50036636	4	ChEMBL_146912 (CHEMBL757500)	Displacement of [3H]DADLE from morphine-sensitive Opioid receptor delta 1 (presence of 300 nM DELT-II) of rat brain membranes
50036636	3	ChEMBL_146911 (CHEMBL757499)	Displacement of [3H]DADLE from morphine-insensitive Opioid receptor delta 1 (presence of 50 nM morphine) of rat brain membranes
50036636	5	ChEMBL_146913 (CHEMBL757501)	Displacement of [3H]DADLE from Opioid receptor delta 1 of rat brain membranes (DAMGO quenching mu receptor)
50036636	2	ChEMBL_146380 (CHEMBL754737)	Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes (pretreated with BIT and FIT to block mu and delta sites)
50036636	1	ChEMBL_146097 (CHEMBL753325)	Displacement of [125I]OXY from Opioid receptor kappa 2b of guinea pig brain membranes (pretreated with BIT(mu) and FIT(delta) and in the presence of (-)U50,488)
50036636	7	ChEMBL_146331 (CHEMBL757539)	Compound was tested for antagonist activity against Opioid receptor delta 1 on mouse vas deferens (MVD) smooth muscle preparation using DPDPE as antagonist ligand
50007637	4	ChEMBL_158967 (CHEMBL766325)	Inhibitory activity against human cytomegalovirus (HCMV) protease
50004987	5	ChEMBL_1969963 (CHEMBL4602781)	Inhibition of HCV NS3/4a protease in presence Zn2+
50004987	6	ChEMBL_1969964 (CHEMBL4602782)	Binding affinity to HCV NS5A polymerase
50004996	1	ChEMBL_1969966 (CHEMBL4602784)	Inhibition of human p38alpha
50004996	2	ChEMBL_1969967 (CHEMBL4602785)	Inhibition of human p38beta
50005234	2	ChEMBL_63998 (CHEMBL673107)	Inhibitory activity against Human leukocyte elastase was determined
50004996	3	ChEMBL_1969968 (CHEMBL4602786)	Inhibition of human CK1delta
50036638	1	ChEMBL_3238 (CHEMBL618924)	Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices
50036642	21	ChEMBL_83927 (CHEMBL693692)	Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung at 10 uM
50036642	14	ChEMBL_61291 (CHEMBL671485)	Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells
50036642	7	ChEMBL_33353 (CHEMBL646283)	Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin
50036642	8	ChEMBL_83926 (CHEMBL693691)	Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung
50036642	10	ChEMBL_33071 (CHEMBL647970)	Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin
50036642	15	ChEMBL_34340 (CHEMBL649153)	Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane
50036642	1	ChEMBL_33726 (CHEMBL647547)	Displacement of [3H]prazosin from Alpha-1A adrenergic receptor of rat submaxillary gland membranes
50036642	16	ChEMBL_60219 (CHEMBL672180)	Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D2 using [3H]spiperone in CHO cells
50036643	4	ChEMBL_205880 (CHEMBL813941)	In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells transiently transfected with the hNK-1R
50036643	5	ChEMBL_205415 (CHEMBL812238)	Tachykinin receptor 1 agonistic activity as inhibition of contractions evoked by 4 nM [Sar9,Met(O2)11]-SP in guinea pig ileum
50036643	1	ChEMBL_205416 (CHEMBL871857)	Tested for Tachykinin receptor 1 agonistic activity by measuring its ability to inhibit contractions evoked by [Sar9,Met(O2)11]-SP (4 nM) in guinea pig ileum
50036644	1	ChEMBL_29993 (CHEMBL642181)	Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680.
50036644	2	ChEMBL_29153 (CHEMBL639433)	Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA.
50005237	1	ChEMBL_30111 (CHEMBL642038)	Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta-3 integrin
50005237	2	ChEMBL_30112 (CHEMBL642039)	Inhibition of fibrinogen binding to isolated integrin alphaIIb-beta3 at 50 uM.
50005238	1	ChEMBL_83924 (CHEMBL693689)	Binding affinity against H1 receptor
50036644	3	ChEMBL_30469 (CHEMBL643130)	Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-.
50005240	1	ChEMBL_210285 (CHEMBL808531)	In vitro inhibitory activity against human microsomal thromboxane synthase.
50005247	2	ChEMBL_144617 (CHEMBL752829)	The compound was tested in vitro for inhibition of neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate
50005248	1	ChEMBL_1433 (CHEMBL616307)	Inhibitory affinity constant against 5-hydroxytryptamine 1A receptor
50005249	1	ChEMBL_138162 (CHEMBL748226)	In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384
50005249	2	ChEMBL_138161 (CHEMBL748225)	In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384
50036645	3	ChEMBL_30006 (CHEMBL641297)	Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 from rat striatal membranes
50036645	5	ChEMBL_29316 (CHEMBL642304)	Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat brain membranes
50036645	4	ChEMBL_30007 (CHEMBL641298)	Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 from rat striatal membranes at 10e-4 M
50036645	2	ChEMBL_30478 (CHEMBL640333)	Binding affinity for adenosine A3 receptor as displacement of [125I]AB-MECA from CHO cell membranes
50036645	7	ChEMBL_29317 (CHEMBL642305)	Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat brain membranes at 10e-4 M
50036645	1	ChEMBL_31852 (CHEMBL646639)	Displacement of [125I]AB-MECA from adenosine A3 receptor from HEK293 cell membranes
50007664	6	ChEMBL_88602 (CHEMBL701181)	Inhibitory concentration as 50% inhibition of HIV-1 integrase enzyme at strand transfer stage of DNA integration.
50007664	5	ChEMBL_88599 (CHEMBL701178)	Inhibition of HIV-1 integrase enzyme at 3`- processing stage of DNA integration
50007664	1	ChEMBL_88597 (CHEMBL701177)	Inhibitory concentration was evaluated as 50% inhibition of HIV-1 integrase enzyme at 3`- processing stage of DNA integration in experiment I
50007664	2	ChEMBL_88601 (CHEMBL701180)	Inhibitory concentration was evaluated as 50% inhibition of HIV-1 integrase enzyme at strand transfer stage of DNA integration in experiment II
50007664	4	ChEMBL_88598 (CHEMBL879148)	Inhibitory concentration was evaluated as 50% inhibition of HIV-1 integrase enzyme at 3`- processing stage of DNA integration in experiment II
50007664	3	ChEMBL_88600 (CHEMBL701179)	Inhibitory concentration was evaluated as 50% inhibition of HIV-1 integrase enzyme at strand transfer stage of DNA integration in experiment I
50007671	5	ChEMBL_63868 (CHEMBL670729)	Binding affinity for endothelin B receptor by measuring its ability to displace [125I]-ET-3 from porcine cerebellar tissue
50007671	3	ChEMBL_63706 (CHEMBL676632)	Tested for binding affinity for human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from chinese hamster ovary cells(CHO)
50007671	2	ChEMBL_63852 (CHEMBL672282)	Tested for binding affinity for human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from chinese hamster ovary cells(CHO)
50007671	4	ChEMBL_65654 (CHEMBL678074)	Tested for binding affinity for human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from chinese hamster ovary cells(CHO)
50007671	6	ChEMBL_63360 (CHEMBL679124)	Binding affinity for endothelin A receptor by measuring its ability to displace [125I]ET1 from prolactin secreting rat pituitary cells(MMQ)
50007672	4	ChEMBL_61504 (CHEMBL673158)	Affinity was evaluated using [3H]DA (radioligand) on Cloned human Dopamine transporter expressed in HEK cells
50007672	3	ChEMBL_61507 (CHEMBL670825)	Affinity was evaluated using [3H]WIN-35428 (radioligand) on Cloned human Dopamine transporter expressed in HEK cells
50005255	5	ChEMBL_54967 (CHEMBL875140)	Inhibitory activity against Dihydrofolate reductase from rat liver
50036648	1	ChEMBL_202575 (CHEMBL806326)	Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain
50007674	1	ChEMBL_155865 (CHEMBL768910)	In vitro inhibitory activity against bovine Phosphoinositide specific phospholipase C (PI-PLC)
50007680	1	ChEMBL_155362 (CHEMBL762507)	Inhibition of Phosphodiesterase 5 from porcine platelets
50007682	1	ChEMBL_195842 (CHEMBL799141)	The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.
50005255	1	ChEMBL_53487 (CHEMBL665612)	Inhibitory activity against cultured Toxoplasma gondii
50007685	1	ChEMBL_86643 (CHEMBL693976)	50% reduction in myeloperoxidase secretion from human PMNs mediated by 100 nM C5a
50007685	3	ChEMBL_157421 (CHEMBL768726)	50% reduction in binding of [125I]C5a to human polymorphonuclear cells (PMNs)
50007685	2	ChEMBL_157422 (CHEMBL768878)	50% reduction in myeloperoxidase secretion from human PMNs mediated by 100 nM C5a
50005260	5	ChEMBL_81442 (CHEMBL690907)	Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase
50007686	10	ChEMBL_54386 (CHEMBL666736)	Inhibitory activity against recombinant Dihydrofolate reductase from Escherichia coli (ecDHFR)
50007686	6	ChEMBL_53331 (CHEMBL664917)	Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)
50007686	9	ChEMBL_52968 (CHEMBL664176)	Inhibitory activity against Dihydrofolate reductase from Pneumocystis carinii (pcDHFR)
50007686	5	ChEMBL_54900 (CHEMBL664709)	Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei (lcDHFR)
50007686	7	ChEMBL_54899 (CHEMBL664708)	Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei ( lcDHFR)
50007686	8	ChEMBL_53459 (CHEMBL665585)	Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)
50007686	2	ChEMBL_53460 (CHEMBL665586)	Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)
50005267	1	ChEMBL_31155 (CHEMBL646620)	In vitro inhibition against yeast Alcohol dehydrogenase
50005268	1	ChEMBL_31156 (CHEMBL646621)	In vitro inhibition against yeast Alcohol dehydrogenase
50005269	2	ChEMBL_209776 (CHEMBL815566)	Inhibitory effect against recombinant human thymidylate synthase
50005274	1	ChEMBL_1192 (CHEMBL615958)	Displacement of [3H]2-(di-N-propylamino)-8-hydroxytetralin from central 5-hydroxytryptamine 1A receptor recognition sites in rat frontal cortex homogenates.
50007688	2	ChEMBL_67069 (CHEMBL674701)	Inhibition of Grb2 SH2 domain binding to biotinylated phosphopeptide
50007688	1	ChEMBL_221805 (CHEMBL843199)	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50036649	1	ChEMBL_159543 (CHEMBL765659)	Binding affinity against Baculovirus-Expressed hPR-A
50036649	2	ChEMBL_159381 (CHEMBL768814)	In vitro antagonist activity against human progesterone receptor isoform B(hPR-B) in mammalian(CV-1) cells
50007694	2	ChEMBL_201969 (CHEMBL804806)	Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]paroxetine
50007695	1	ChEMBL_158915 (CHEMBL763480)	Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)
50007695	2	ChEMBL_159908 (CHEMBL768957)	Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
50007695	3	ChEMBL_3861 (CHEMBL618765)	Inhibition of 5-Lipoxygenase (5-LOX)
50007700	2	ChEMBL_212528 (CHEMBL817592)	Inhibitory potency was measured against bovine trypsin.
50036653	7	ChEMBL_106280 (CHEMBL714630)	Inhibition of truncated collagenase-1 (Matrix metalloprotease-1)
50036653	6	ChEMBL_105402 (CHEMBL710821)	Inhibition of truncated gelatinase B (Matrix metalloprotease-9)
50036653	5	ChEMBL_104883 (CHEMBL709181)	Inhibition of truncated stromelysin (Matrix metalloprotease-3)
50007704	2	ChEMBL_29508 (CHEMBL643074)	Inhibitory activity against human recombinant ATP-Citrate Lyase (ACL) enzyme
50007704	1	ChEMBL_29507 (CHEMBL643073)	Inhibitory activity was tested against human recombinant ATP-Citrate Lyase (ACL) enzyme
50007704	5	ChEMBL_29522 (CHEMBL640438)	Inhibitory activity was tested against rat ATP-Citrate Lyase (ACL) enzyme
50041263	1	ChEMBL_205893 (CHEMBL813805)	Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.
50036654	2	ChEMBL_89190 (CHEMBL700508)	Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)
50036654	3	ChEMBL_65159 (CHEMBL678360)	Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)
50036654	1	ChEMBL_143352 (CHEMBL750653)	Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase
50044014	1	ChEMBL_217460 (CHEMBL823509)	Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain
50007715	1	ChEMBL_193174 (CHEMBL798749)	Tested for GH-releasing property using classical rat pituitary cell assay
50007383	1	ChEMBL_1210 (CHEMBL615976)	In vitro binding affinity for 5-hydroxytryptamine 1A receptor in rat hippocampal membranes by [125I]-labeled agonist displacement.
50036655	1	ChEMBL_162501 (CHEMBL767302)	Agonist activity at P2Y1 receptor measured as capacity to stimulate 50% phospholipase C in turkey erythrocyte membranes
50036655	2	ChEMBL_162504 (CHEMBL767332)	Antagonist activity at P2Y1 receptor measured as capacity to inhibit 50% of phospholipase C stimulation elicited by 10 nM 2-MeSATP
50007387	3	ChEMBL_105401 (CHEMBL710820)	The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloprotease-9)
50007387	4	ChEMBL_104542 (CHEMBL718929)	Binding affinity towards 72 kDa gelatinase (Matrix metalloprotease-2)
50007387	1	ChEMBL_105205 (CHEMBL713844)	The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloprotease-8)
50036656	3	ChEMBL_61833 (CHEMBL673203)	Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter
50036656	2	ChEMBL_202318 (CHEMBL807674)	Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter
50036656	1	ChEMBL_144837 (CHEMBL750463)	Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter
50005286	2	ChEMBL_51215 (CHEMBL664334)	In vitro inhibition of rat ovarian microsomal Cytochrome P450 19A1
50005286	3	ChEMBL_50689 (CHEMBL662435)	Inhibition of Human placental Cytochrome P450 19A1
50036657	1	ChEMBL_58649 (CHEMBL666363)	Binding affinity which represents concentration giving half-maximal inhibition of [3H]SCH-23390 (Dopamine receptor D1) binding to rat tissue homogenate
50036657	4	ChEMBL_62400 (CHEMBL675725)	Binding affinity which represents concentration giving half-maximal inhibition of [3H]spiperone (Dopamine receptor D2) binding to rat tissue homogenate
50007724	1	ChEMBL_159782 (CHEMBL763107)	inhibitory activity against purified HIV-1 protease in a standardized spectrophotometric assay expressed in Escherichia coli
50007725	5	ChEMBL_195847 (CHEMBL799146)	Inhibition of HIV-1 reverse transcriptase (wild type)
50007725	2	ChEMBL_195845 (CHEMBL799144)	Inhibition of HIV-1 reverse transcriptase (P236L)
50007725	3	ChEMBL_195372 (CHEMBL802410)	Inhibitory activity against HIV-1 reverse transcriptase (wild type)
50007725	1	ChEMBL_195371 (CHEMBL802409)	Inhibitory activity against HIV-1 reverse transcriptase (P236L)
50007725	4	ChEMBL_195846 (CHEMBL799145)	inhibitory activity against HIV-1 reverse transcriptase (wild type
50007726	3	ChEMBL_124422 (CHEMBL733086)	Inhibitory activity against Monoamine oxidase B
50007726	4	ChEMBL_124420 (CHEMBL733084)	Inhibitory activity against Monoamine oxidase B from rat brain mitochondria
50007733	1	ChEMBL_96433 (CHEMBL706380)	inhibitory activity against Human Lactate Dehydrogenase (LDH-M)
50007733	2	ChEMBL_96432 (CHEMBL706379)	inhibitory activity against Human Lactate Dehydrogenase (LDH-H)
50007735	2	ChEMBL_90265 (CHEMBL699130)	Inhibition of insulin receptor mediated mitogenesis of NIH3T3 cells
50007737	11	ChEMBL_63819 (CHEMBL676208)	The compound was tested for inhibition of human neutrophil elastase enzyme with a pre-incubation time of 40 min.
50007737	12	ChEMBL_63817 (CHEMBL676206)	The compound was tested for inhibition of human neutrophil elastase enzyme with a pre-incubation time of 0 min.
50007739	1	ChEMBL_195890 (CHEMBL804190)	The compound was tested for binding affinity against rotamase
50007740	1	ChEMBL_200984 (CHEMBL873113)	Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.
50007742	6	ChEMBL_41025 (CHEMBL655042)	Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa
50007742	1	ChEMBL_40704 (CHEMBL654916)	Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase
50005293	1	ChEMBL_138274 (CHEMBL744231)	In Vitro evaluation activity at the cloned Human Muscarinic acetylcholine receptor M1 determined by receptor selection and amplification technology (R-SAT)
50005293	8	ChEMBL_139618 (CHEMBL744783)	In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M2 determined by receptor selection and amplification technology (R-SAT).
50018107	37	ChEMBL_2264481	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured upto 7.5 mins by Ellman's method
50005293	6	ChEMBL_139384 (CHEMBL747137)	In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT)
50007742	8	ChEMBL_41027 (CHEMBL655044)	Acylation of Pseudomonas aeruginosa 18SH Beta-lactamase
50007742	7	ChEMBL_41026 (CHEMBL655043)	Time taken for deacylation of Pseudomonas aeruginosa 18SH Beta-lactamase
50005293	2	ChEMBL_139107 (CHEMBL749231)	In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT)
50018107	38	ChEMBL_2264483	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50007742	2	ChEMBL_41020 (CHEMBL884132)	Inhibition of Pseudomonas aeruginosa 18SH Beta-lactamase.
50005293	10	ChEMBL_138582 (CHEMBL746366)	In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 determined by receptor selection and amplification technology (R-SAT)
50007742	3	ChEMBL_41025 (CHEMBL655042)	Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa
50036660	1	ChEMBL_40259 (CHEMBL656489)	Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)
50036660	2	ChEMBL_40864 (CHEMBL653618)	Inhibition of beta-lactamase of Escherichia coli TEM-3 (class C)
50036660	4	ChEMBL_41032 (CHEMBL651936)	Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)
50036660	5	ChEMBL_40863 (CHEMBL653617)	Inhibition beta-lactamase of Escherichia coli TEM-3 (class C)
50007744	2	ChEMBL_31997 (CHEMBL646594)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50007744	5	ChEMBL_31999 (CHEMBL646596)	Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.
50007744	3	ChEMBL_31998 (CHEMBL646595)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells
50007744	1	ChEMBL_32000 (CHEMBL646597)	Displacement of [125I]ABA from human adenosine A3 receptor expressed in CHO cells
50036661	1	ChEMBL_207616 (CHEMBL812204)	Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.
50036662	2	ChEMBL_40264 (CHEMBL653280)	Concentration required to inhibit specific binding of [3H]BK at 0.06 nM to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.
50005295	6	ChEMBL_1471 (CHEMBL616594)	Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]8-OH-DPAT as the radioligand.
50005295	3	ChEMBL_2034 (CHEMBL616868)	Binding affinity against 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells, using [3H]5-HT as the radioligand.
50005295	1	ChEMBL_63066 (CHEMBL673633)	Binding affinity against Dopamine receptor D2 from CHO-K1 cells, using [3H]U-86,170 as the radioligand.
50005295	7	ChEMBL_1999 (CHEMBL617092)	Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells, using [3H]-5-HT as the radioligand.
50005295	4	ChEMBL_62762 (CHEMBL676289)	Binding affinity against Dopamine receptor D3 expressed in CHO-K1 cells, using [3H]spiperone as the radioligand.
50005295	8	ChEMBL_62564 (CHEMBL671495)	Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [3H]U-86170 as the radioligand.
50005295	2	ChEMBL_62765 (CHEMBL676292)	Binding affinity against Dopamine receptor D3 from CHO-K1 cells, using [3H]spiperone as the radioligand.
50005295	5	ChEMBL_62901 (CHEMBL676140)	The compound was tested in vitro for binding affinity against cloned mammalian Dopamine receptor D3 expressed in CHO cells by, using [3H]spiperone as radioligand
50036662	3	ChEMBL_40263 (CHEMBL653279)	Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%
50036663	2	ChEMBL_40265 (CHEMBL656501)	Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.
50036663	1	ChEMBL_40286 (CHEMBL653418)	Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%.
50036663	3	ChEMBL_40289 (CHEMBL653421)	Concentration required to inhibit specific binding of [3H]BK (1.2 nM) to A-431 cells (human epidermoid carcinoma) which express Bradykinin receptor B2 by 50%.
50007757	13	ChEMBL_149454 (CHEMBL758205)	Binding affinity against Opioid receptor mu 1 using [3H]naloxone as radioligand.
50007757	4	ChEMBL_146360 (CHEMBL753808)	Binding activity against Opioid receptor kappa 1 using [3H]U-69593 as radioligand in guinea pig membranes. 
50007757	6	ChEMBL_145301 (CHEMBL752836)	Inhibition of [35S]GTP-gamma-S, binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1)
50007757	11	ChEMBL_148844 (CHEMBL753961)	Binding activity against Opioid receptor mu 1 using [3H]DAMGO as radioligand in rat brain membranes.
50007757	5	ChEMBL_146361 (CHEMBL753809)	Binding activity against kOpioid receptor kappa 1 using [3H]U-69593 as radioligand in guinea pig membranes. 
50007757	10	ChEMBL_147279 (CHEMBL755201)	Inhibition of [35S]GTP-gamma-S, binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1)
50007757	9	ChEMBL_146674 (CHEMBL753166)	Inhibition of [35S]GTP-gamma-S, binding in guinea pig caudate stimulated by U69,593 in Opioid receptor kappa 1
50007757	12	ChEMBL_145986 (CHEMBL750580)	Binding affinity against Opioid receptor kappa 1 using [3H]ethylketocyclazocine as radioligand.
50007757	7	ChEMBL_146901 (CHEMBL751114)	Binding activity against Opioid receptor delta 1 using [3H]DADLE as radioligand in rat brain membranes.
50041265	6	ChEMBL_139256 (CHEMBL745529)	Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4
50041265	4	ChEMBL_138975 (CHEMBL857564)	Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine receptor M3
50041265	3	ChEMBL_139096 (CHEMBL744272)	Binding affinity for rat cortex Muscarinic acetylcholine receptor M1
50041265	5	ChEMBL_138172 (CHEMBL858421)	Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2
50036665	7	ChEMBL_41559 (CHEMBL655896)	Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)]
50038381	161	ChEMBL_473726 (CHEMBL936824)	Inhibition of CaM-KKalpha
50038381	65	ChEMBL_473591 (CHEMBL939356)	Binding affinity to ERK2
50036665	4	ChEMBL_28904 (CHEMBL638603)	Inhibition of acetylcholinesterase (AChE) of human erythrocytes
50038381	72	ChEMBL_473604 (CHEMBL939372)	Inhibition of Src
50038381	162	ChEMBL_473867 (CHEMBL939202)	Inhibition of VEGFR1
50038381	86	ChEMBL_473568 (CHEMBL939333)	Inhibition of Chk1
50038381	64	ChEMBL_473615 (CHEMBL940168)	Inhibition of CaM-KKbeta
50038381	37	ChEMBL_473589 (CHEMBL939354)	Inhibition of ERK2
50036666	1	ChEMBL_100141 (CHEMBL712499)	The compound was tested for the concentration to inhibit 50% of [125 I]leuprorelin binding to Leutinizing releasing hormone receptor in the membrane fractions of the rat pituitary
50036666	3	ChEMBL_100009 (CHEMBL710694)	The compound was tested for the concentration to inhibit 50% of [125 I]leuprorelin binding to Leutinizing releasing hormone receptor the membrane fractions of the monkey pituitary
50007766	1	ChEMBL_159577 (CHEMBL764776)	Inhibition of Prostaglandin G/H synthase 1 at 5 uM
50036667	1	ChEMBL_205713 (CHEMBL807960)	Binding affinity at Tachykinin receptor 1 by measuring its ability to inhibit [125I]BH-SP binding in human IM-9 cells (Lymphoblast cells).
50036668	1	ChEMBL_200000 (CHEMBL810689)	Inhibition of Selectin L binding
50036668	2	ChEMBL_200031 (CHEMBL873252)	Inhibition of Selectin P binding
50036668	3	ChEMBL_199851 (CHEMBL804753)	Displacement of sialyl Lewis X (sLex) from selectin E
50036670	1	ChEMBL_47416 (CHEMBL657293)	Inhibition of human cathepsin B
50036670	2	ChEMBL_48494 (CHEMBL660643)	Inhibition of human cathepsin L.
50036670	3	ChEMBL_48358 (CHEMBL663346)	Compound was measured for inhibition of collagenolytic of human Cathepsin L
50007783	9	ChEMBL_159549 (CHEMBL765837)	Binding affinity against human progesterone receptor
50007783	10	ChEMBL_44189 (CHEMBL653488)	Effective concentration (EC50) against human progesterone receptor expressed in CV-1 cell
50007783	6	ChEMBL_44193 (CHEMBL653492)	Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cells
50007783	8	ChEMBL_71402 (CHEMBL680188)	Binding affinity against human glucocorticoid receptor expressed in SF-12 cells
50005298	1	ChEMBL_140405 (CHEMBL746731)	Inhibition of [3H]-3 binding to the glycine site on the NMDA receptor in Rat cortical slices
50007783	7	ChEMBL_36277 (CHEMBL651951)	Binding affinity against human androgen receptor
50007783	2	ChEMBL_44194 (CHEMBL654135)	Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cells
50007783	11	ChEMBL_44198 (CHEMBL654291)	Inhibitory activity (IC50) against human glucocorticoid receptor expressed in CV-1 cells
50007788	1	ChEMBL_28169 (CHEMBL644123)	In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes
50005307	4	ChEMBL_36767 (CHEMBL651097)	In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid brain AT2 receptor preparation
50005307	1	ChEMBL_36654 (CHEMBL649914)	In vitro binding affinity against angiotensin II (AT2) receptor to competitively block the specific binding of [125I]- [Sar1,Ile8] AII to a rat mid brain AT2 receptor preparation
50007788	3	ChEMBL_28170 (CHEMBL644124)	In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase from rabbit intestinal microsomes
50036673	4	ChEMBL_201355 (CHEMBL806217)	The compound was tested in vitro for binding affinity for the serotonin transporter (5-HTT) using competitive binding assay.
50036673	2	ChEMBL_61515 (CHEMBL671435)	The compound was tested in vitro for high binding affinity for the Dopamine transporter (DAT) using competitive binding assay.
50036673	3	ChEMBL_61516 (CHEMBL675998)	The compound was tested in vitro for low binding affinity for the Dopamine transporter (DAT) using competitive binding assay.
50036673	1	ChEMBL_142804 (CHEMBL751377)	The compound was tested in vitro for binding affinity for the norepinephrine transporter (NET) using competitive binding assay.
50036677	2	ChEMBL_70582 (CHEMBL681319)	inhibitory activity against human Farnesyltransferase
50007799	5	ChEMBL_53458 (CHEMBL661508)	Inhibitory activity against dihydrofolate reductase(DHFR) from Toxoplasma gondii
50007799	4	ChEMBL_52975 (CHEMBL664183)	Inhibitory activity against dihydrofolate reductase(DHFR) from Pneumocystis carinii
50007801	1	ChEMBL_52877 (CHEMBL876720)	Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in Escherichia coli.
50007804	2	ChEMBL_35526 (CHEMBL649552)	Compound was tested for its specificity against AmpC beta-lactamase
50007804	3	ChEMBL_35528 (CHEMBL649554)	Inhibitory activity against Escherichia coli AmpC beta-lactamase.
50036678	1	ChEMBL_40274 (CHEMBL656509)	Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations
50007807	1	ChEMBL_205708 (CHEMBL807955)	Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells
50007814	2	ChEMBL_40088 (CHEMBL655757)	Compound was evaluated for the inhibition of Cdc25A phosphatase by using p-nitrophenylphosphate as substrate
50007814	1	ChEMBL_40087 (CHEMBL655756)	Compound was evaluated for the inhibition of Cdc25A phosphatase by using fluorescein diphosphate as substrate
50007824	5	ChEMBL_220529 (CHEMBL843345)	Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors
50007824	3	ChEMBL_145332 (CHEMBL750420)	Binding affinity was measured against mutated human Opioid receptor delta 1 (W248L)
50007824	7	ChEMBL_145331 (CHEMBL750419)	Binding affinity was measured against cloned human Opioid receptor delta 1 (wild-type,Wt)
50007824	2	ChEMBL_76016 (CHEMBL685497)	Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors
50007824	1	ChEMBL_124881 (CHEMBL731341)	Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors
50007824	6	ChEMBL_146652 (CHEMBL754936)	Binding affinity was measured against Opioid receptor delta 1 using [3H]p-Cl-DPDPE as radioligand.
50007824	4	ChEMBL_148547 (CHEMBL755349)	Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.
50036680	2	ChEMBL_72770 (CHEMBL681383)	Inhibitory activity measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana
50036680	1	ChEMBL_72898 (CHEMBL684065)	Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma cruzi.
50036680	3	ChEMBL_72896 (CHEMBL684063)	Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in Trypanosoma brucei
50036680	4	ChEMBL_72900 (CHEMBL684215)	Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase in human(erythrocytes)
50036681	4	ChEMBL_145834 (CHEMBL755492)	Effect on binding affinity of mutational exchange of Glu297 in the Opioid receptor kappa 1 in transiently expressed rat cos-7 cells activity expressed as binding affinity.
50036681	2	ChEMBL_145843 (CHEMBL755501)	Mutant factor against mu-[K303E] with Opioid receptor kappa 1 for binding affinity
50036681	3	ChEMBL_145844 (CHEMBL755502)	Mutant factor of the compound against kappa[E297K] with Opioid receptor kappa 1 for binding affinity.
50036681	6	ChEMBL_145845 (CHEMBL755503)	Mutant factor of the compound against mu-[K303E] with Opioid receptor kappa 1 for binding affinity
50036681	1	ChEMBL_149013 (CHEMBL758577)	Effect on binding affinity of mutational exchange of Lys303 in the Opioid receptor mu 1 in transiently expressed rat cos-7 cells activity expressed as binding affinity.
50036682	4	ChEMBL_61319 (CHEMBL670094)	Inhibition of [3H]YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, high affinity site
50036682	1	ChEMBL_61317 (CHEMBL670092)	Tested for binding affinity against Dopamine receptor D2 like from bovine striatum membranes by using [3H]YM-09151-2 radioligand
50036682	3	ChEMBL_61320 (CHEMBL670095)	Inhibition of [3H]YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, low affinity site
50036684	6	ChEMBL_62340 (CHEMBL674432)	Binding affinity for [3H]DA (Dopamine transporter) uptake by striated synaptosomes
50036684	1	ChEMBL_201817 (CHEMBL805325)	Binding affinity for Serotonin transporter was determined by [3H]5-HT (serotonin) uptake by striated synaptosomes
50036684	3	ChEMBL_62150 (CHEMBL675906)	Inhibitory activity determined for [3H]DA (Dopamine transporter) uptake by striated synaptosomes
50036684	5	ChEMBL_62465 (CHEMBL878278)	Binding affinity of compound on dopamine transporters of rat striated membranes using [3H]- mazindol.
50036684	12	ChEMBL_201834 (CHEMBL805341)	Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine
50036684	8	ChEMBL_201659 (CHEMBL803033)	Inhibitory activity against Serotonin transporter was determined for [3H]5-HT (serotonin) uptake by striated synaptosomes
50036684	2	ChEMBL_62155 (CHEMBL676558)	Inhibitory activity on dopamine transporters of rat striated membranes using [3H]- mazindol.
50036684	4	ChEMBL_201664 (CHEMBL803038)	Inhibitory activity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine
50036684	9	ChEMBL_62977 (CHEMBL679852)	Binding affinity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine
50036684	10	ChEMBL_201670 (CHEMBL803044)	inhibitory activity on serotonin transporters in striated membranes using [3H]- paroxetine
50036684	14	ChEMBL_62154 (CHEMBL676557)	Inhibitory activity on dopamine transporter of rat striated membranes using [3H]- mazindol.
50036684	11	ChEMBL_62803 (CHEMBL674116)	Inhibitory activity on dopamine transporters of rat striated membranes using [3H]- mazindol.
50044019	3	ChEMBL_154378 (CHEMBL758987)	Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection assay in CV-1 cells
50044019	2	ChEMBL_154529 (CHEMBL760250)	In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assay (SPA)
50044019	1	ChEMBL_154374 (CHEMBL758983)	Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferator activated receptor gamma
50036686	1	ChEMBL_66273 (CHEMBL678143)	Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity
50007857	2	ChEMBL_141736 (CHEMBL882171)	Compound was tested for NADH oxidase activity in bovine heart submitochondrial particles
50036687	1	ChEMBL_146910 (CHEMBL757498)	Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.
50036687	2	ChEMBL_146379 (CHEMBL754736)	Binding affinity towards Opioid receptor kappa 1 on guinea pig cerebellum membranes by [3H]U-69593 displacement.
50036687	3	ChEMBL_148851 (CHEMBL756647)	Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.
50005322	2	ChEMBL_155133 (CHEMBL764095)	Inhibition of [3H]PAF binding to human platelet activating factor receptor
50005322	1	ChEMBL_155134 (CHEMBL764096)	Compound were tested for the inhibition of [3H]PAF binding to human platelets.
50036688	3	ChEMBL_46303 (CHEMBL663447)	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand
50036688	1	ChEMBL_46304 (CHEMBL663448)	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand
50036688	5	ChEMBL_46305 (CHEMBL663449)	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 1
50036689	1	ChEMBL_145302 (CHEMBL752837)	Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor mu 1 in Guinea pig Caudate stimulated by DAMGO
50036689	5	ChEMBL_145154 (CHEMBL755958)	Binding affinity determined on Opioid receptor mu 1 in Guinea pig brain membranes using radioligand [3H]DAMGO
50036689	4	ChEMBL_146675 (CHEMBL753167)	Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor kappa 1 in Guinea pig Caudate stimulated by U69,593
50036689	3	ChEMBL_146372 (CHEMBL759292)	Binding affinity determined on Opioid receptor kappa 1 in Guinea pig brain membranes using radioligand [3H]U-69593
50036689	6	ChEMBL_145155 (CHEMBL755959)	Binding affinity determined on Opioid receptor mu 1 in Guinea pig brain membranes using radioligand [3H]DAMGO.
50036689	7	ChEMBL_147280 (CHEMBL755202)	Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor delta 1 in Guinea pig Caudate stimulated by SNC80
50036689	2	ChEMBL_147026 (CHEMBL753667)	Binding affinity determined on Opioid receptor delta 1 in Guinea pig brain membranes using radioligand [3H]DADLE
50005329	1	ChEMBL_159454 (CHEMBL766799)	In vitro inhibition of HIV-1 protease
50005330	4	ChEMBL_58561 (CHEMBL667496)	Binding affinity for Dopamine receptor D2 was assessed in vitro in rat striatal membranes using [3H]-SCH- 23390 radioligand
50005330	2	ChEMBL_58344 (CHEMBL671959)	Binding affinity against Dopamine receptor D1 by using [3H]SCH-23390 as radioligand
50005330	3	ChEMBL_61110 (CHEMBL672300)	In vitro receptor binding affinity against Dopamine receptor D2
50005330	1	ChEMBL_58831 (CHEMBL671915)	Affinity towards Dopamine receptor D1
50036691	1	ChEMBL_144712 (CHEMBL751007)	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase activity)
50036691	2	ChEMBL_144711 (CHEMBL751006)	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity) 
50036693	1	ChEMBL_54279 (CHEMBL669872)	Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 uM
50007870	3	ChEMBL_34639 (CHEMBL647284)	Binding affinity was determined for the alpha-1B adrenergic receptor
50007870	1	ChEMBL_32426 (CHEMBL646088)	Binding affinity was determined for the alpha-1D adrenergic receptor
50007870	11	ChEMBL_33615 (CHEMBL652822)	Binding affinity was determined for the alpha-1A adrenergic receptor
50007870	6	ChEMBL_33350 (CHEMBL646280)	Binding affinity for recombinant human Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand.
50008372	1	ChEMBL_46801 (CHEMBL659688)	Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the absence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]CP-55940 as radioligand
50008372	3	ChEMBL_46802 (CHEMBL659689)	Binding affinity towards cannabinoid receptor 1 from rat forebrain membranes in the presence of phenylmethanesulfonylfluoride (PMSF) using 0.8 nM [3H]CP-55940 as radioligand
50008373	1	ChEMBL_210267 (CHEMBL809291)	In vitro for antagonistic activity against thromboxane synthase receptor
50008373	3	ChEMBL_210434 (CHEMBL814386)	In vitro for inhibitory activity against thromboxane synthase
50036694	1	ChEMBL_158899 (CHEMBL760886)	Inhibition of human progesterone 17-alpha-hydroxylase.
50036695	2	ChEMBL_44709 (CHEMBL656598)	Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.
50036695	1	ChEMBL_44708 (CHEMBL656597)	Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.
50008377	10	ChEMBL_2586 (CHEMBL617607)	Inhibition of [3H]ketanserin binding to rat frontal cortex membrane 5-hydroxytryptamine 2A receptor
50008377	8	ChEMBL_62234 (CHEMBL675745)	Binding affinity measured at the Dopamine receptor D2 by the inhibition of [3H]methylspiperone binding to rat striatum using unlabeled haloperidol for nonspecific binding.
50008377	3	ChEMBL_2623 (CHEMBL621535)	Binding affinity measured at the 5-hydroxytryptamine 2A receptor by the inhibition of [3H]ketanserin binding to rat cortex using unlabeled mianserin for nonspecific binding.
50008377	2	ChEMBL_61443 (CHEMBL670669)	Inhibition of [3H]methylspiperone binding to rat striatal membrane Dopamine receptor D2
50007393	1	ChEMBL_46128 (CHEMBL660002)	Binding affinity was determined by displacement of [3H]P1075 from its binding sites in canine cardiac membranes
50007395	9	ChEMBL_159370 (CHEMBL768144)	Antagonistic activity was determined in Human progesterone receptor(hPR) of CV-1 cells in cotransfection assay.
50007395	11	ChEMBL_159051 (CHEMBL760813)	Agonistic activity to the human progesterone receptor (hPR)assayed in CV-1 cells in cotransfection assay.
50007395	8	ChEMBL_71099 (CHEMBL674947)	Antagonistic activity was determined in Human glucocorticoid receptor(hGR) of CV-1 cells in cotransfection assay.
50007395	7	ChEMBL_71406 (CHEMBL680192)	Binding affinity was determined on Human glucocorticoid receptor (hAR) using progesterone as radioligand.
50007395	10	ChEMBL_159557 (CHEMBL765845)	The binding affinity on Human progesterone receptor (hPR-A) using progesterone as radioligand.
50007395	6	ChEMBL_36108 (CHEMBL648073)	Antagonistic activity was determined in Human androgen receptor(hAR) of CV-1 cells in cotransfection assay.
50007395	12	ChEMBL_36281 (CHEMBL651955)	Binding affinity was determined on Human androgen receptor (hAR) using progesterone as radioligand.
50036696	2	ChEMBL_159052 (CHEMBL760814)	Agonistic activity was measured for modulation of hPR-B (human progesterone receptor) in co-transfected CV-1 cells.
50036696	1	ChEMBL_159558 (CHEMBL765846)	The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells.
50036697	3	ChEMBL_2992 (CHEMBL619783)	Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex
50007400	1	ChEMBL_105076 (CHEMBL711321)	Inhibition of Matrix metalloprotease-8 (Human neutrophil collagenase, MMP-8)
50007401	3	ChEMBL_106038 (CHEMBL717361)	Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AMP in non-neuronal cell line expressing human Metabotropic glutamate receptor 2
50007401	2	ChEMBL_106379 (CHEMBL718352)	Ability to block 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AMP in non-neuronal cell line expressing human Metabotropic glutamate receptor 3
50007402	1	ChEMBL_106035 (CHEMBL717203)	Effect on 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AMP in RGT cells expressing human Metabotropic glutamate receptor 2
50007403	2	ChEMBL_138689 (CHEMBL747656)	Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes
50007403	3	ChEMBL_138688 (CHEMBL749925)	Binding affinity for muscarinic acetylcholine receptor M1 using [3H]pirenzepine (Pz) radioligand in rat hippocampus membranes.
50007403	1	ChEMBL_139210 (CHEMBL745685)	Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholine receptor M1.
50005343	1	ChEMBL_50050 (CHEMBL662419)	Compound was tested for binding affinity towards Cholecystokinin type A receptor by measuring its ability to displace [125I]BH-CCK-8 from rat pancreatic acini
50036699	3	ChEMBL_213069 (CHEMBL817136)	Binding affinity towards trypsin was determined
50036699	2	ChEMBL_208889 (CHEMBL814946)	Binding affinity towards thrombin was determined
50036699	1	ChEMBL_208876 (CHEMBL814934)	Inhibition of thrombin-catalyzed hydrolysis of a standard substrate
50036700	9	ChEMBL_143545 (CHEMBL755318)	Compound was evaluated for its ability to displace [3H]cytisine from K177 cells expressing human Nicotinic acetylcholine receptor alpha4-beta2
50036700	3	ChEMBL_144032 (CHEMBL750447)	Compound was evaluated for its ability to displace [125I]alpha-bungarotoxin (alpha-BgT) from K28 cells expressing human Nicotinic acetylcholine receptor alpha7
50036700	1	ChEMBL_223075 (CHEMBL842924)	Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype
50036700	6	ChEMBL_144022 (CHEMBL750437)	Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.
50036700	4	ChEMBL_216981 (CHEMBL822798)	Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax
50036700	5	ChEMBL_144021 (CHEMBL750436)	Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.
50036700	10	ChEMBL_144022 (CHEMBL750437)	Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.
50007408	1	ChEMBL_159405 (CHEMBL763975)	Inhibitory activity against Prostaglandin G/H synthase 1 isolated from ram (sheep) seminal vesicle
50007410	3	ChEMBL_48636 (CHEMBL874700)	Inhibitory activity against human Coagulation factor X
50007413	1	ChEMBL_70180 (CHEMBL685829)	Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia (HEL) cells.
50007413	2	ChEMBL_77355 (CHEMBL839844)	Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro
50007413	3	ChEMBL_90161 (CHEMBL696983)	Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro.
50007418	1	ChEMBL_29122 (CHEMBL642256)	Displacement of [3H]CPX from Adenosine A1 receptor of bovine brain cerebral cortex membranes
50036703	1	ChEMBL_40262 (CHEMBL653278)	In vitro for inhibition of specific binding of [3H]BK (0.06 nM) to bradykinin receptor B2 in guinea pig ileum membrane preparations.
50036705	1	ChEMBL_36279 (CHEMBL651953)	Binding affinity for human androgen receptor in transiently-transfected COS-1 cells.
50036705	3	ChEMBL_36107 (CHEMBL648072)	Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells.
50005356	1	ChEMBL_208011 (CHEMBL816091)	Binding affinity towards HSV-1 thymidine kinase was determined
50005356	3	ChEMBL_208029 (CHEMBL811287)	Inhibition of HSV-2 thymidine kinase, 2 uM [3H]thymidine and ATP as phosphate donor
50007425	3	ChEMBL_105238 (CHEMBL712569)	Inhibitory activity against human gelatinase B (Matrix metalloprotease-9)
50005357	3	ChEMBL_201919 (CHEMBL808207)	In vitro binding affinity towards Sigma receptor type 1 was determined by measuring its ability to displace [3H](+)-pentazocine from guinea pig brain membrane
50005357	1	ChEMBL_140162 (CHEMBL745467)	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 was determined by measuring its ability to displace [3H]pirenzepine from bovine striatal membranes
50005357	2	ChEMBL_202062 (CHEMBL813145)	In vitro binding affinity towards Sigma receptor type 2 was determined by measuring its ability to displace [3H]1,3-di-o-tolylguanidine from rat liver tissue
50005358	2	ChEMBL_221790 (CHEMBL843184)	Inhibitory concentration of the against pp60v-src tyrosine kinase obtained from v-src baculovirus-infected insect cells
50005358	1	ChEMBL_65135 (CHEMBL677470)	Inhibitory concentration compound against EFGR tyrosine kinase obtained from plasma membrane vesicles from cultured A431 cells
50005359	3	ChEMBL_4046 (CHEMBL620777)	Ex vivo inhibition of 5-lipoxygenase was determined by the measurement of A-23187-stimulated LTB4 production in dog blood at 12 h, following intravenous administration at the dose of 1.0 mg/kg
50005359	4	ChEMBL_4051 (CHEMBL618098)	In vitro 5-lipoxygenase inhibitory activity against A-23187-stimulated conversion of [14C]AA to LTB4 in guinea pig peritoneal polymorphonuclear leukocytes
50005360	1	ChEMBL_63986 (CHEMBL677612)	In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN
50005360	2	ChEMBL_63989 (CHEMBL673099)	In vitro inhibitory activity against human neutrophil elastase (HNE-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN)
50005361	2	ChEMBL_63984 (CHEMBL677610)	In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA
50005361	4	ChEMBL_49452 (CHEMBL659800)	Inhibitory activity against bovine chymotrypsin
50005361	3	ChEMBL_45363 (CHEMBL661899)	Inhibitory activity against human cathepsin G.
50005362	1	ChEMBL_30117 (CHEMBL640474)	Inhibition of [3H]-SKF- 107260 binding to purified alphaIIb-beta3 integrin of human platelets
50005363	1	ChEMBL_63977 (CHEMBL677603)	In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA
50005364	1	ChEMBL_53717 (CHEMBL663645)	Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)
50007429	1	ChEMBL_29121 (CHEMBL642255)	Compound was tested for binding affinity at Adenosine A1 receptor in bovine brain cortical membranes using [3H](R)-(-)-N6-(2-phenylisopropyl)adenosine (R-PIA) as radioligand
50044016	1	ChEMBL_143703 (CHEMBL756003)	Cholinergic interactions was measured as displaced [3H]cystine from Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes
50007431	2	ChEMBL_28653 (CHEMBL643832)	Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal LAI assay
50007432	1	ChEMBL_62148 (CHEMBL675904)	Inhibitory activity against dopamine transporter (DAT) labeled with [3H]WIN-35428 in rat brain striatal membrane.
50007432	2	ChEMBL_201662 (CHEMBL803036)	Inhibitory activity against serotonin transporter (SERT) labeled with [3H]-citalopram in rat brain striatal membrane.
50036706	2	ChEMBL_2994 (CHEMBL619785)	Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane
50036706	6	ChEMBL_2811 (CHEMBL617841)	Ability to displace [3H]mesulergine bound to 5-hydroxytryptamine 2C receptor in rat cortex
50007437	4	ChEMBL_59919 (CHEMBL670114)	The in vitro intrinsic activity was measured at DA D2 receptor by measuring its ability to increase [3H]thymidine uptake in CHO-K1 cells transfected with the Dopamine receptor D2
50007437	2	ChEMBL_60370 (CHEMBL672206)	Binding affinity determined by measuring its ability to displace [3H]N-0437 radioligand in CHO-K1 cells on Cloned Human Dopamine receptor D2
50007437	1	ChEMBL_62432 (CHEMBL674835)	Binding affinity determined by measuring displacement of [3H]spiperone from cloned Human Dopamine receptor D3 in CHO-K1 cells
50007437	5	ChEMBL_1451 (CHEMBL616575)	The binding affinity by measuring its ability to displace [3H]8-OH-DPAT radioligand in 5-hydroxytryptamine 1A receptor on rat hippocampal preparation
50042217	1	ChEMBL_158029 (CHEMBL877854)	Inhibitory activity against HIV-1 protease.
50036709	2	ChEMBL_176336 (CHEMBL784029)	Inhibition [3H]DA uptake in rat striatal synaptosomes.
50036709	1	ChEMBL_49336 (CHEMBL660852)	Inhibition [3H]-cocaine binding to Cocaine receptor in rat striatal membranes.
50007447	1	ChEMBL_50380 (CHEMBL661722)	Inhibition of human testicular microsomal Cytochrome P450 17A1
50007447	2	ChEMBL_50385 (CHEMBL662841)	Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)
50007448	3	ChEMBL_52845 (CHEMBL665049)	Compound was tested for inhibition activity against pneumocystis carinii (Pneumocystis carinii) Dihydrofolate reductase
50007448	4	ChEMBL_53321 (CHEMBL665703)	Compound was tested for inhibition activity against Toxoplasma gondii (Toxoplasma gondii) Dihydrofolate reductase
50007448	2	ChEMBL_52844 (CHEMBL665048)	Compound was tested for inhibition activity against Dihydrofolate reductase in pneumocystis carinii (Pneumocystis carinii).
50007448	5	ChEMBL_53320 (CHEMBL876696)	Compound was tested for inhibition activity against Dihydrofolate reductase in Toxoplasma gondii (Toxoplasma gondii)
50007459	1	ChEMBL_208871 (CHEMBL808337)	Inhibitory activity against thrombin
50007459	2	ChEMBL_208896 (CHEMBL814953)	Binding affinity towards thrombin
50007463	3	ChEMBL_50037 (CHEMBL662406)	Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor from rat pancreas using [125I]bolton Hunter CCK-8 as radioligand
50007463	1	ChEMBL_48248 (CHEMBL661838)	Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]bolton Hunter CCK-8 as radioligand
50007465	3	ChEMBL_40166 (CHEMBL655961)	Inhibition of 50% of human C1r Serine Protease by initially using Cbz-Gly-Arg-S-Bzl as substrate
50007465	4	ChEMBL_40165 (CHEMBL655960)	50% inhibition of human C1r serine protease after 60 mins using Cbz-Gly-Arg-S-Bzl as substrate
50036710	1	ChEMBL_199990 (CHEMBL810875)	Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin L-IgG fusion proteins
50036710	2	ChEMBL_199714 (CHEMBL802070)	Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin E-IgG fusion proteins by 50%.
50036710	3	ChEMBL_200013 (CHEMBL810702)	Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins
50007470	3	ChEMBL_158939 (CHEMBL767827)	Concentration (in uM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.
50005376	1	ChEMBL_29524 (CHEMBL640440)	Reversible binding potential for rat ATP-Citrate Lyase as carbon-carbon bond cleavage activity in citrate substrate
50005378	1	ChEMBL_202041 (CHEMBL809514)	Binding affinity at Sigma receptor type 1, displacement of [3H](+)-pentazocine from guinea pig brain membranes
50007471	1	ChEMBL_158940 (CHEMBL767828)	Inhibition of Prostaglandin G/H synthase 1 (COX-1).
50036711	1	ChEMBL_200502 (CHEMBL803847)	Binding affinity towards cloned human somatostatin 3 (hsst) receptor
50036711	4	ChEMBL_200361 (CHEMBL807428)	Binding affinity towards cloned human somatostatin 2 (hsst) receptor
50036711	5	ChEMBL_200524 (CHEMBL883371)	Binding affinity towards cloned human somatostatin 5 (hsst) receptor
50036711	6	ChEMBL_200511 (CHEMBL803855)	Binding affinity towards cloned human somatostatin 4 (hsst) receptor
50036711	2	ChEMBL_200355 (CHEMBL807422)	Binding affinity towards cloned human somatostatin 1 (hsst) receptor
50007480	16	ChEMBL_33732 (CHEMBL647048)	Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adrenergic receptor
50005388	2	ChEMBL_807 (CHEMBL615786)	Ability to inhibit 5-HT sensitive,forskolin-stimulated adenylyl cyclase(FSC) activity in rat hippocampal membranes mediated through 5-hydroxytryptamine 1A receptor
50005388	3	ChEMBL_58506 (CHEMBL672001)	Ability to displace [3H]SCH-23390 binding to rat striatal Dopamine receptor D1
50005388	4	ChEMBL_61450 (CHEMBL670676)	Ability to displace [3H]raclopride binding to cloned human Dopamine receptor D2A
50007480	19	ChEMBL_34028 (CHEMBL646016)	Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1A adrenergic receptor
50005389	1	ChEMBL_63361 (CHEMBL676097)	Inhibition of [125I]endothelin-l binding to endothelin A receptor of rat thoracic aorta smooth muscle cells
50005390	2	ChEMBL_4056 (CHEMBL618103)	Inhibitory activity against partially-purified Guinea pig PMN 5-lipoxygenase
50007480	5	ChEMBL_34640 (CHEMBL647285)	Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1B adrenergic receptor
50007480	22	ChEMBL_32730 (CHEMBL646001)	Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1D adrenergic receptor
50007480	11	ChEMBL_33734 (CHEMBL647050)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adrenergic receptor
50007480	3	ChEMBL_34323 (CHEMBL648106)	Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype
50007480	10	ChEMBL_34632 (CHEMBL647277)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat liver Alpha-1B adrenergic receptor
50007480	1	ChEMBL_34322 (CHEMBL648105)	Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor
50007480	9	ChEMBL_34324 (CHEMBL648107)	Compound was tested for the tissue binding affinity using [125I]- HEAT as radioligand to the human aorta Alpha-1B adrenergic receptor subtype.
50007480	7	ChEMBL_34634 (CHEMBL647279)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype.
50007480	6	ChEMBL_34346 (CHEMBL649159)	Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergic receptor
50007481	5	ChEMBL_105225 (CHEMBL710584)	Activity against Matrix metalloprotease-9 (MMP-9).
50007481	3	ChEMBL_217867 (CHEMBL822190)	Activity against deletion mutant of MT1-MMP lacking the transmembrane domain (deltaMT1)
50041270	12	ChEMBL_38478 (CHEMBL856954)	Compound was tested for binding affinity against human cloned Beta-2 adrenergic receptor
50007484	5	ChEMBL_197123 (CHEMBL801613)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells
50007484	4	ChEMBL_197122 (CHEMBL801612)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay CEM-SS cells
50007484	6	ChEMBL_197121 (CHEMBL801611)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells.
50007484	3	ChEMBL_197428 (CHEMBL802226)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells
50007484	2	ChEMBL_197429 (CHEMBL802227)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS
50007484	1	ChEMBL_197430 (CHEMBL802228)	Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells
50007485	1	ChEMBL_53136 (CHEMBL665857)	Inhibitory activity against dihydrofolate reductase from pneumocystis carinii
50007485	3	ChEMBL_53322 (CHEMBL664908)	Inhibitory activity against dihydrofolate reductase from Toxoplasma gondii
50007492	5	ChEMBL_196380 (CHEMBL802552)	Inhibitory activity against L100I mutant HIV-1 reverse transcriptase
50007492	4	ChEMBL_196512 (CHEMBL798326)	Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT)
50007492	6	ChEMBL_196382 (CHEMBL802554)	Inhibitory activity against P236L mutant HIV-1 reverse transcriptase
50007492	3	ChEMBL_196378 (CHEMBL802550)	Inhibitory activity against E233V mutant HIV-1 reverse transcriptase
50007492	2	ChEMBL_196509 (CHEMBL798323)	Inhibitory activity against Y181C mutant HIV-1 reverse transcriptase
50007492	1	ChEMBL_196510 (CHEMBL798324)	Inhibitory activity against Y188H mutant HIV-1 reverse transcriptase
50036713	1	ChEMBL_89193 (CHEMBL701145)	Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatography
50036714	3	ChEMBL_209302 (CHEMBL811757)	Inhibitory activity against mutant Plasmodium falciparum DHFR-TS
50036714	5	ChEMBL_209440 (CHEMBL814296)	Inhibitory activity against mutant Plasmodium falciparum DHFR-TS
50036714	2	ChEMBL_209303 (CHEMBL811758)	Inhibitory activity against recombinant wild type (WT) Plasmodium falciparum DHFR-TS
50036714	1	ChEMBL_209304 (CHEMBL811759)	Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.
50036714	4	ChEMBL_209306 (CHEMBL811761)	Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS.
50007499	3	ChEMBL_55239 (CHEMBL666993)	Inhibitory concentration was evaluated against CCRF-CEM Dihydrofolate reductase enzyme in Mycobacterium avium.
50007499	2	ChEMBL_53005 (CHEMBL664435)	Inhibition of Pneumocystis carinii dihydrofolate reductase
50007499	4	ChEMBL_53476 (CHEMBL665601)	Inhibition of Toxoplasma gondii Dihydrofolate reductase
50007499	1	ChEMBL_55132 (CHEMBL668777)	Inhibition of Dihydrofolate reductase of rat liver
50007501	1	ChEMBL_52208 (CHEMBL664974)	In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by displacement of [3H]LTD4.
50005395	1	ChEMBL_1200 (CHEMBL615966)	In vitro displacement of radioactively labeled ligand [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor site in CHO cells
50005395	2	ChEMBL_62861 (CHEMBL677676)	Displacement of [3H]U-86170 from Dopamine receptor D2
50005396	1	ChEMBL_64003 (CHEMBL673112)	Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant
50007502	1	ChEMBL_52215 (CHEMBL666684)	Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand
50007502	2	ChEMBL_52043 (CHEMBL666430)	Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand
50036715	12	ChEMBL_162339 (CHEMBL768348)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor in presence of MRS2179
50036715	15	ChEMBL_162351 (CHEMBL768359)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor in presence of MRS2179 (P<0.005)
50036715	1	ChEMBL_162350 (CHEMBL768358)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor.
50036715	26	ChEMBL_162341 (CHEMBL768350)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor in presence of MRS2179
50036715	21	ChEMBL_162346 (CHEMBL768354)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor.
50036715	14	ChEMBL_162349 (CHEMBL768357)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor in presence of MRS2179 (P<0.005)
50036715	8	ChEMBL_162354 (CHEMBL768362)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor.
50036715	17	ChEMBL_162340 (CHEMBL768349)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor.
50036715	20	ChEMBL_162342 (CHEMBL884078)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor.
50036715	24	ChEMBL_162348 (CHEMBL768356)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor.
50036715	2	ChEMBL_162347 (CHEMBL768355)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor in presence of MRS2179
50036715	7	ChEMBL_162356 (CHEMBL768364)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor.
50036715	5	ChEMBL_162331 (CHEMBL766586)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor in presence of MRS2179 (P<0.05)
50036715	6	ChEMBL_162335 (CHEMBL768344)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor in presence of MRS2179 (P<0.005)
50036715	16	ChEMBL_162343 (CHEMBL768351)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor in presence of MRS2179
50036715	10	ChEMBL_162338 (CHEMBL768347)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor.
50036715	4	ChEMBL_162336 (CHEMBL768345)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor.
50036715	9	ChEMBL_162345 (CHEMBL768353)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor in presence of MRS2179
50036715	13	ChEMBL_162353 (CHEMBL768361)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor in presence of MRS2179 (P<0.005)
50036715	23	ChEMBL_162344 (CHEMBL768352)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor.
50036715	25	ChEMBL_162332 (CHEMBL768341)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor.
50036715	19	ChEMBL_162334 (CHEMBL768343)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor.
50036715	3	ChEMBL_162352 (CHEMBL768360)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor.
50036715	22	ChEMBL_162355 (CHEMBL768363)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor in presence of MRS2179 (P<0.005)
50036715	11	ChEMBL_162337 (CHEMBL768346)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor in presence of MRS2179
50008383	6	ChEMBL_72351 (CHEMBL686438)	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in plasmon resonance binding assay
50008383	3	ChEMBL_72350 (CHEMBL686437)	Inhibition of Grb2 SH2 domain binding in MDA-MB-453 human breast carcinoma cell lysates
50036719	3	ChEMBL_105392 (CHEMBL710811)	Inhibition of human matrix metalloprotease 9
50036719	6	ChEMBL_104380 (CHEMBL715841)	Inhibition of human matrix metalloprotease 2
50036719	4	ChEMBL_105979 (CHEMBL713992)	Inhibition of human matrix metalloprotease 1
50036719	2	ChEMBL_104870 (CHEMBL708547)	Inhibition of human matrix metalloprotease-3
50008788	2	ChEMBL_105524 (CHEMBL715233)	Inhibitory activity against Matrix metalloprotease-9 (concentration required for 50% inhibition of enzyme activity)
50008790	3	ChEMBL_212508 (CHEMBL817573)	Compound was tested for inhibition activity against bovine trypsin.
50005407	3	ChEMBL_2390 (CHEMBL617668)	In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.
50005407	2	ChEBML_62887	In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]sulpiride displacement.
50005407	4	ChEMBL_62887 (CHEMBL673597)	In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]sulpiride displacement.
50036166	4	ChEBML_37845	Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined
50036166	5	ChEBML_39168	Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined
50005872	8	ChEMBL_53494 (CHEMBL665618)	Inhibition of dihydrofolate reductase in Toxoplasma gondii.
50005872	9	ChEMBL_53935 (CHEMBL667768)	Tested for inhibitory activity against dihydrofolate reductase in Beef liver
50008794	2	ChEMBL_64443 (CHEMBL674018)	Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)
50008794	1	ChEMBL_64442 (CHEMBL674017)	Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells
50008794	8	ChEMBL_66576 (CHEMBL856168)	Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)
50008794	6	ChEMBL_66575 (CHEMBL679676)	Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)
50008794	3	ChEMBL_66570 (CHEMBL679551)	Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor in A431 cells
50008799	4	ChEMBL_89340 (CHEMBL884245)	Effective concentration against NADPH oxidase activity of iNOS
50005412	11	ChEMBL_78737 (CHEMBL689286)	Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation
50005412	2	ChEMBL_78739 (CHEMBL689288)	Inhibition of polyGAT phosphorylation by EGF receptor
50008799	1	ChEMBL_89348 (CHEMBL702890)	Inhibitory concentration against mouse inducible nitric oxide synthase (iNOS)
50008802	5	ChEMBL_200848 (CHEMBL807058)	The compound was tested for binding affinity against human Somatostatin receptor type 4
50005412	4	ChEBML_78739	Inhibition of polyGAT phosphorylation by EGF receptor
50008802	6	ChEMBL_200829 (CHEMBL807042)	The compound was tested for binding affinity against human Somatostatin receptor type 3
50005412	5	ChEMBL_63788 (CHEMBL677392)	Inhibitory concentration against EGF receptor by polyGAT phosphorylation
50005412	12	ChEMBL_63789 (CHEMBL677393)	Inhibitory concentration against EGF receptor by autophosphorylation
50008802	3	ChEMBL_200987 (CHEMBL801239)	The compound was tested for binding affinity against human Somatostatin receptor type 5
50005412	10	ChEMBL_78742 (CHEMBL689291)	Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation
50008802	1	ChEMBL_200687 (CHEMBL807098)	The compound was tested for binding affinity against human Somatostatin receptor type 2
50008802	2	ChEMBL_200668 (CHEMBL806160)	The compound was tested for binding affinity against human Somatostatin receptor type 1
50036722	1	ChEMBL_32265 (CHEMBL645599)	Inhibition of Aldose reductase 2 of bovine lens
50005412	9	ChEMBL_78741 (CHEMBL689290)	Inhibition of HER-14 (human EGFR overexpressing NIH3T3) cell proliferation
50036722	4	ChEMBL_31466 (CHEMBL647988)	The compound was tested for Inhibitory effect against ALR1 in bovine kidneys
50036722	2	ChEMBL_32261 (CHEMBL645595)	The compound was tested for Inhibitory effect against Aldose reductase 1 in bovine kidneys
50036722	3	ChEMBL_31467 (CHEMBL647989)	Inhibition of ALR2 (aldose reductase) of bovine lens
50005412	3	ChEMBL_78740 (CHEMBL689289)	Inhibition of polyGAT phosphorylation by EGF receptor
50008806	1	ChEMBL_88774 (CHEMBL878464)	The compound was tested in vitro for inhibition of HIV-1 replication
50008806	2	ChEMBL_88622 (CHEMBL701726)	Inhibitory activity against integrase as yield of terminal cleavage products
50005414	5	ChEBML_201714	Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]haloperidol in the presence of 25 nM unlabeled spiperone
50005414	4	ChEMBL_226541 (CHEMBL846481)	Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol
50005414	1	ChEBML_59474	Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin
50005414	3	ChEMBL_226542 (CHEMBL846482)	Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]haloperidol in the presence of 25 nM unlabeled spiperone
50005414	6	ChEMBL_59474 (CHEMBL671727)	Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin
50005414	2	ChEMBL_201714 (CHEMBL803751)	Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]haloperidol in the presence of 25 nM unlabeled spiperone
50005415	2	ChEBML_42561	Displacement of [3H]spiperone from CHO-K1 cell membranes expressing human dopamine receptor D2
50005415	3	ChEBML_42562	Displacement of [3H]-spiperone from CHO-K1 cell membranes expressing human dopamine 3 receptors
50005415	1	ChEBML_226570	Tested for [3H](+)-pentazocine binding to sigma-1 receptor in guinea pig brain membrane
50036723	1	ChEMBL_105812 (CHEMBL717812)	Inhibition of human neutrophil collagenase [Matrix Metalloprotease-8, MMP-8]
50008812	3	ChEMBL_41605 (CHEMBL650558)	Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor
50008812	2	ChEMBL_41606 (CHEMBL650559)	Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte C5a receptor
50008812	1	ChEMBL_41454 (CHEMBL652975)	Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte(PMN) C5a anaphylatoxin chemotactic receptor
50008813	2	ChEMBL_46814 (CHEMBL657058)	The compound was tested for Ki value against rat whole brain P2 membrane preparation in absence of enzyme inhibitor PMSF
50008813	1	ChEMBL_46816 (CHEMBL657060)	The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.
50008814	6	ChEMBL_152395 (CHEMBL765518)	In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl transferase
50008814	1	ChEMBL_152393 (CHEMBL765516)	Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase
50036725	3	ChEMBL_140046 (CHEMBL745721)	In vitro Muscarinic acetylcholine receptor M2 binding was evaluated in rat brain membranes by using [3H]- Oxo-M
50036725	2	ChEMBL_138551 (CHEMBL746418)	Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-M1 expressing Muscarinic acetylcholine receptor M1.
50036725	6	ChEMBL_139617 (CHEMBL744782)	Compound was tested for its potency towards Muscarinic acetylcholine receptor M2 by inhibiting forskolin induced c-AMP formation in CHO-M2 cells
50008817	5	ChEMBL_62888 (CHEMBL675973)	In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]quinpirole radioligand in rat striatal membranes
50008817	1	ChEMBL_62895 (CHEMBL676134)	In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]spiperone radioligand in rat striatal membranes
50008817	7	ChEMBL_58598 (CHEMBL667111)	In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]spiperone radioligand in rat striatal membranes
50038381	91	ChEMBL_473851 (CHEMBL937172)	Inhibition of Her1
50038381	159	ChEMBL_473794 (CHEMBL937059)	Inhibition of IGF1R autophosphorylation
50008849	4	ChEMBL_1618 (CHEMBL616643)	Displacement of specific [3H]5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells
50008849	2	ChEMBL_1600 (CHEMBL616626)	Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1B receptor
50008849	1	ChEMBL_1705 (CHEMBL616912)	Displacement of specific [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50008849	3	ChEMBL_1683 (CHEMBL617043)	Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor
50036011	4	ChEMBL_61744 (CHEMBL676051)	Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2 receptor
50036017	2	ChEBML_154153	Inhibitory activity against pepsin.
50036017	10	ChEMBL_192716 (CHEMBL801744)	In vitro inhibition of monkey renin.
50036017	9	ChEMBL_195741 (CHEMBL872996)	Compound was evaluated for inhibition of plasma renin activity in human
50036017	7	ChEMBL_192888 (CHEMBL795927)	Compound was evaluated for inhibition of plasma renin activity in dog
50036018	2	ChEMBL_48250 (CHEMBL661839)	Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex
50036018	4	ChEBML_49401	Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas
50036018	1	ChEBML_48250	Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex
50036018	3	ChEMBL_49401 (CHEMBL658763)	Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas
50036019	1	ChEBML_3807	In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase
50036023	2	ChEBML_146540	Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.
50000321	18	ChEMBL_4333 (CHEMBL883800)	Inhibition of progesterone 6-beta-hydroxylase in rat hepatic microsomes
50000321	19	ChEMBL_48771 (CHEMBL663246)	Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase
50000321	20	ChEMBL_17 (CHEMBL884521)	Inhibition of cytochrome P450 progesterone 15-alpha hydroxylase
50000321	21	ChEMBL_52075 (CHEMBL664815)	Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A
50000321	22	ChEMBL_158901 (CHEMBL760888)	Inhibition of Progesterone 21-hydroxylase cytochrome P450 21
50036024	7	ChEMBL_145995 (CHEMBL750589)	In vito concentration required to displace [3H]BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.
50036024	8	ChEMBL_146096 (CHEMBL753324)	In vito concentration required to displace [3H]BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.
50036024	16	ChEMBL_146568 (CHEMBL755057)	In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes.
50036024	6	ChEBML_146568	In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes.
50036024	3	ChEMBL_146567 (CHEMBL755056)	In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes.
50036024	13	ChEMBL_146593 (CHEMBL752697)	In vito concentration required to displace [3H]DADLE (Kd = 1.6 nM and concentration is 1.9 nM) from high affinity delta-site in rat brain membranes.
50036024	1	ChEMBL_146547 (CHEMBL754966)	In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.
50036024	10	ChEMBL_146584 (CHEMBL754818)	In vito concentration required to displace [3H]DADLE (Kd = 1.6 nM and concentration is 1.9 nM) from high affinity delta-site in rat brain membranes.
50005424	1	ChEMBL_1457 (CHEMBL616580)	Binding affinity towards 5-hydroxytryptamine 1A receptor of rat brain synaptosomal preparations
50005424	12	ChEMBL_62900 (CHEMBL676139)	Binding affinity towards baculovirus expressed rat dopamine D3 receptors
50005424	6	ChEMBL_32276 (CHEMBL644544)	Binding affinity towards alpha-1B adrenergic receptors using alpha-1A ligand WB-4101
50005424	4	ChEMBL_60500 (CHEMBL673329)	Binding affinity towards dopamine receptor D1 (human clone)
50005424	7	ChEMBL_61337 (CHEMBL675954)	Binding affinity towards Dopamine receptor D5 (rat clone)
50005424	2	ChEMBL_34036 (CHEMBL646288)	Binding affinity towards alpha-1A adrenergic receptors using alpha-1A ligand WB-4101
50005424	15	ChEMBL_61104 (CHEMBL672295)	Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations
50036024	11	ChEMBL_145925 (CHEMBL857682)	In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.
50005424	5	ChEMBL_63058 (CHEMBL673625)	Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations
50005424	3	ChEMBL_201899 (CHEMBL808190)	Binding affinity towards sigma receptors
50036024	12	ChEMBL_146422 (CHEMBL757174)	In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.
50005424	10	ChEMBL_1807 (CHEMBL616780)	Binding affinity towards 5-hydroxytryptamine 1B receptor
50036024	17	ChEMBL_146585 (CHEMBL754819)	In vito concentration required to displace [3H]-DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes.
50005424	13	ChEMBL_61105 (CHEMBL672296)	Binding affinity towards dopamine D2 receptors in rat brain synaptosomal preparations
50036024	18	ChEMBL_146098 (CHEMBL753326)	In vito concentration required to displace [3H]-BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.
50036024	9	ChEMBL_146667 (CHEMBL755870)	In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.
50036024	2	ChEMBL_146594 (CHEMBL752698)	In vito concentration required to displace [3H]DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes.
50036027	2	ChEMBL_83768 (CHEMBL693826)	Compound was tested in vitro for histamine H1-antagonist activity against histamine-induced contractions on isolated guinea pig ileum
50036027	1	ChEMBL_218827 (CHEMBL823938)	In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum
50005428	1	ChEMBL_37823 (CHEMBL653455)	Binding affinity against beta-2-adrenergic receptor in bovine lung
50005428	2	ChEMBL_37537 (CHEMBL647619)	Binding affinity against beta-1-adrenergic receptor in rat brain
50036028	3	ChEMBL_146542 (CHEMBL754961)	Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay
50036028	4	ChEMBL_147048 (CHEMBL753275)	Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay
50000326	7	ChEBML_54414	Thermodynamic dissociation constant of compound for mutant T46N Escherichia coli dihydrofolate reductase
50036028	1	ChEBML_147048	Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay
50036028	2	ChEBML_146542	Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay
50036029	3	ChEBML_145228	Receptor binding affinity towards opioid receptor kappa
50036029	2	ChEBML_146441	Receptor binding affinity towards opioid receptor delta
50036029	1	ChEBML_146261	Receptor binding affinity towards opioid receptor mu
50036030	3	ChEMBL_772 (CHEMBL615873)	Compound was evaluated for the inhibition of [3H]5-HT (concentration of 12 nM) specific binding to rat hippocampus
50000085	12	ChEMBL_32393 (CHEMBL648029)	Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand
50000085	9	ChEMBL_147657 (CHEMBL756572)	Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand
50000085	10	ChEMBL_147658 (CHEMBL756573)	Binding affinity towards opioid receptor from rat whole brain using [3H]etorpine as radioligand
50000085	11	ChEMBL_2214 (CHEMBL617039)	Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM)
50018107	39	ChEMBL_2264484	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50018108	1	ChEMBL_2264495	Inhibition of human ERG
50036031	1	ChEBML_29421	Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand
50036031	8	ChEMBL_30716 (CHEMBL646483)	Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 50 nM cyclopentyladenosine
50036031	9	ChEMBL_30715 (CHEMBL646482)	Binding affinity towards adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand
50036032	1	ChEBML_162882	In vitro inhibition of PAF-induced aggregation of rabbit washed platelets.
50036032	2	ChEMBL_154991 (CHEMBL765343)	Displacement of [3H]nitrendipine from L-type calcium channel of bovine frontal cortex membranes.
50036032	4	ChEMBL_154990 (CHEMBL765342)	Displacement of [3H]-diltiazem from L-type calcium channel of bovine frontal cortex membranes.
50000346	14	ChEMBL_139898 (CHEMBL880141)	Ability to displace [3H]oxotremorine ([3H]OXO-M) from mouse cerebral cortex
50036037	6	ChEMBL_208493 (CHEMBL811968)	In vitro inhibitory activity against thrombin
50036039	2	ChEBML_80475	Concentration required to inhibit HMG-CoA reductase by 50% was determined in Hep G2 cell line
50036039	1	ChEBML_78177	Inhibitory activity against HMG-CoA reductase from rat liver microsomal preparation
50036041	1	ChEBML_79800	Inhibitory concentration against HIV-1 protease in the absence of DMSO
50036041	11	ChEMBL_159126 (CHEMBL769503)	Inhibitory concentration against HIV-1 protease in the absence of DMSO
50036041	2	ChEMBL_159305 (CHEMBL769358)	Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)
50036041	7	ChEMBL_158058 (CHEMBL764887)	In vitro Inhibitory activity against HIV-2 protease in the presence of 5%DMSO
50036041	17	ChEBML_159124	Inhibition of HIV-2 protease in 5%DMSO
50036041	18	ChEMBL_158062 (CHEMBL764891)	Inhibitory concentration against HIV-2 protease in the absence of DMSO
50036042	5	ChEMBL_154987 (CHEMBL882497)	Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation
50036042	2	ChEMBL_154984 (CHEMBL765337)	In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation
50036044	1	ChEBML_217926	Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]-CHA
50036046	4	ChEMBL_208659 (CHEMBL813319)	Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.
50036046	2	ChEBML_208658	Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.
50036050	1	ChEBML_63995	Inhibitory activity against HLE at 10 min (48 mM conc)
50036051	2	ChEBML_195749	Inhibitory activity against human renin inhibition (at pH 7.4)
50036051	1	ChEBML_195749	Inhibitory activity against human renin inhibition (at pH 7.4)
50036051	3	ChEMBL_195749 (CHEMBL801600)	Inhibitory activity against human renin inhibition (at pH 7.4)
50036052	2	ChEBML_157563	Binding affinity to HIV protease
50036053	3	ChEMBL_45064 (CHEMBL659847)	Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)
50036054	5	ChEBML_77048	In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes.
50036055	7	ChEBML_33095	Binding affinity against alpha-1 adrenergic receptor was determined in calf cerebral cortex homogenates using [3H]prazosin as radioligand
50000233	5	ChEBML_34813	Inhibition of [125I]angiotensin II specific binding to rat mesenteric arteries
50036054	1	ChEMBL_52046 (CHEMBL666432)	In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes
50036054	3	ChEBML_52046	In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes
50036054	4	ChEMBL_77045 (CHEMBL686873)	In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes
50036055	1	ChEBML_39323	Binding affinity at Beta-1 adrenergic receptor in guinea pigs by [125I]CYP displacement
50036055	3	ChEBML_37987	Binding affinity against Beta-2 adrenergic receptor was measured using [125I]CYP as radioligand
50036056	9	ChEBML_149178	Binding affinity towards rat uterine receptor was determined using [3H]oxytocin as radioligand
50036056	14	ChEMBL_149181 (CHEMBL762744)	Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from pregnant rats
50036056	4	ChEBML_211249	Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.
50005432	3	ChEMBL_216237 (CHEMBL823870)	In vitro affinity towards D2 receptor using [3H]spiroperidol as radioligand in striatum
50005432	1	ChEMBL_2580 (CHEMBL882923)	In vitro affinity towards 5-hydroxytryptamine 2A receptor using [3H]spiroperidol as radioligand in cortex
50005432	5	ChEMBL_757 (CHEMBL615859)	In vitro affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in hippocampus
50036056	2	ChEBML_149178	Binding affinity towards rat uterine receptor was determined using [3H]oxytocin as radioligand
50036056	8	ChEMBL_149178 (CHEMBL882439)	Binding affinity towards rat uterine receptor was determined using [3H]oxytocin as radioligand
50036056	6	ChEMBL_149039 (CHEMBL762232)	Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus monkey
50036056	5	ChEMBL_211250 (CHEMBL817095)	Concentration required to displace 50% of [3H]arginine vasopressin from rat kidney medullary (AVP-V2a site)
50036056	1	ChEBML_211234	Binding affinity towards rat liver V1a receptor was determined using [3H]arginine vasopressin as radioligand
50036056	18	ChEMBL_149063 (CHEMBL760427)	Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.
50036056	15	ChEMBL_149049 (CHEMBL761404)	Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from nonlabor pregnant women
50036056	10	ChEMBL_211247 (CHEMBL878965)	Ability to inhibit AVP stimulation of adenylate cyclase activity in the rat kidney medulla (AVP-V2) receptor
50005432	2	ChEMBL_3515 (CHEMBL619185)	In vitro affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in hippocampus
50036056	11	ChEMBL_211257 (CHEMBL815388)	Binding affinity towards rat kidney V2 receptor was determined using [3H]arginine vasopressin as radioligand
50036056	16	ChEMBL_211249 (CHEMBL817094)	Inhibition of [3H]arginine vasopressin binding to AVP-V2 site in rat kidney medulla.
50036056	7	ChEMBL_211234 (CHEMBL874088)	Binding affinity towards rat liver V1a receptor was determined using [3H]arginine vasopressin as radioligand
50036057	1	ChEBML_208846	Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2
50000101	12	ChEBML_135591	Inhibition of electrically evoked contractions in mouse vas deferens
50005434	2	ChEMBL_58159 (CHEMBL672682)	Tested for its affinity towards Dopamine receptor D1 in rat striatal membrane
50000101	13	ChEMBL_135591 (CHEMBL746596)	Inhibition of electrically evoked contractions in mouse vas deferens
50000101	4	ChEMBL_147170 (CHEMBL754469)	Inhibition of [3H]- ]DAMGO binding to Opioid receptor mu 1 from rat brain membrane
50000101	9	ChEBML_73269	Inhibition of electrically evoked contractions in Guinea pig ileum
50036060	1	ChEBML_154975	Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.
50036060	2	ChEMBL_154974 (CHEMBL765152)	Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-Antagonistic activity) by 50%.
50005440	2	ChEMBL_32829 (CHEMBL646207)	Inhibition of aminopeptidase A (APA)
50005443	5	ChEMBL_195974 (CHEMBL807522)	Tested in vitro for its ability to inhibit the human plasma renin at pH of 7.4
50005443	1	ChEMBL_196423 (CHEMBL799827)	Tested in vitro for its ability to inhibit the rat plasma renin
50005443	2	ChEMBL_196422 (CHEMBL872990)	Tested in vitro for its ability to inhibit the rat plasma renin
50005443	3	ChEMBL_192899 (CHEMBL795112)	Tested in vitro for its ability to inhibit the dog plasma renin
50036062	13	ChEBML_30559	Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680
50036062	3	ChEBML_28979	Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor
50036062	1	ChEMBL_28979 (CHEMBL640781)	Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor
50036062	11	ChEMBL_28851 (CHEMBL643393)	Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA
50036062	10	ChEMBL_28982 (CHEMBL640784)	Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA
50036064	3	ChEBML_205400	In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle.
50036068	3	ChEMBL_209943 (CHEMBL818105)	Inhibitory activity against human Thromboxane A2 synthase
50036072	3	ChEBML_145219	Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.
50036072	2	ChEBML_147017	Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.
50036072	1	ChEBML_146254	Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.
50005452	1	ChEMBL_205636 (CHEMBL813244)	Tested for the inhibition of prostromelysin activation with no preincubation period
50005453	1	ChEMBL_64139 (CHEMBL675303)	The compound was tested in vitro for ability to inhibit human leukocyte elastase activity
50005454	1	ChEMBL_157870 (CHEMBL879227)	Apparent inhibition constant against recombinant HIV-1 protease
50005456	3	ChEMBL_146672 (CHEMBL753164)	In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]ethylketocyclazocine (1 nM) with 500 nM DADLE and 20 nM sufentanil
50005456	4	ChEMBL_201285 (CHEMBL805775)	In vivo binding affinity against sigma Opioid receptor was measured by using labeled ligand [3H]-SKF- 10,047 (1 nM)
50005456	1	ChEMBL_138749 (CHEMBL747922)	In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]naloxone (0.5 nM)
50005458	1	ChEMBL_29233 (CHEMBL641567)	Inhibition concentration against rat acetylcholinesterase
50000282	5	ChEMBL_290 (CHEMBL615728)	Effect on forskolin stimulated adenylate cyclase activity at 5-HT1D receptor of guinea pig substantia nigra.
50000282	10	ChEBML_1881	Binding affinity against 5-hydroxytryptamine 2 receptor using [125I]DOI as radioligand.
50000282	13	ChEMBL_1658 (CHEMBL616649)	Binding affinity against 5-hydroxytryptamine 1D receptor
50000282	9	ChEBML_1882	Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ket as radioligand.
50000282	8	ChEBML_593	Effect on forskolin stimulated adenylate cyclase activity at 5-hydroxytryptamine 1A receptor of guinea pig hippocampus.
50036073	8	ChEBML_201133	Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain
50036073	15	ChEBML_34133	Inhibitory concentration against radioligand [3H]-WB- 4101 binding to rat cortical Alpha-1 adrenergic receptor
50036073	9	ChEMBL_201134 (CHEMBL803875)	Inhibitory concentration against radioligand [3H]3-PPP binding to haloperidol-sensitive sigma binding site in whole guinea pig brain
50036075	5	ChEBML_145721	Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane
50036075	4	ChEBML_145206	Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane
50036075	1	ChEBML_146877	Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane
50036075	3	ChEBML_146240	Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane
50005465	2	ChEMBL_99849 (CHEMBL706920)	Tested for antagonistic activity in mouse spleen membrane against LTB4 receptor
50005465	1	ChEMBL_99666 (CHEMBL705074)	Tested for binding activity against [3H]LTB4 to whole human neutrophil with halh maximal inhibition
50036076	4	ChEBML_146266	Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes
50036076	1	ChEBML_145347	Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes
50036076	5	ChEBML_223421	Tested for opioid receptor agonistic activity in guinea pig ileum
50036076	2	ChEBML_146446	Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in guinea pig cerebellum membranes
50005470	1	ChEMBL_78179 (CHEMBL884928)	Tested for inhibition of rat liver microsomal HMG-CoA reductase
50018109	1	ChEMBL_2264500	Inhibition of full-length human IGF1R autophosphorylation expressed in mouse NIH3T3 cells using poly(Glu:Tyr) as substrate in presence of ATP preincubated for 2 hrs followed by IGF1stimulation and measured after 15 mins by ELISA
50018109	2	ChEMBL_2264501	Inhibition of recombinant human IR autophosphorylation using poly(Glu:Tyr) as substrate in presence of ATP by ELISA-based assay
50018109	3	ChEMBL_2264502	Inhibition of GST-tagged recombinant human IGF1R ( 950 to 1337 residues) autophosphorylation expressed in mouse NWT-21 cells preincubated for 20 mins followed by IGF1 stimulation and measured after 10 mins by ELISA
50018109	4	ChEMBL_2264503	Inhibition of GST-tagged recombinant human IR ( 919 to 1343 residues) autophosphorylation expressed in mouse NIH-3T3-A14 cells preincubated for 90 mins followed by insulin stimulation and measured after 10 mins by ELISA
50018111	1	ChEMBL_2264523	Antagonist activity at rat forebrain CB1R assessed as inhibition constant
50036077	5	ChEMBL_226549 (CHEMBL846626)	Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes
50036077	2	ChEMBL_226547 (CHEMBL846624)	Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes
50036077	7	ChEMBL_226546 (CHEMBL874058)	Inhibition of specific binding of [3H]3-PPP to sigma receptor in Guinea pig brain membranes
50036077	8	ChEMBL_226548 (CHEMBL846625)	Inhibition of specific binding of [3H]DTG to sigma receptor in Guinea pig brain membranes
50036077	1	ChEMBL_226544 (CHEMBL846484)	Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes
50005472	1	ChEMBL_1469 (CHEMBL616592)	Displacement of the radioligand [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor
50005472	2	ChEMBL_63064 (CHEMBL673631)	Displacement of the radioligand [3H]spiperone from D2 receptor
50036077	4	ChEMBL_226545 (CHEMBL846485)	Inhibition of specific binding of [3H]3-PPP to sigma binding site in Guinea pig brain membranes
50036077	6	ChEMBL_226543 (CHEMBL846483)	Inhibition of specific binding of [125I]-PIPAG to sigma binding site in Guinea pig brain membranes
50036077	10	ChEMBL_226550 (CHEMBL846627)	Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes
50036077	3	ChEBML_226548	Inhibition of specific binding of [3H]DTG to sigma receptor in Guinea pig brain membranes
50036078	2	ChEMBL_217980 (CHEMBL824099)	In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membranes
50036081	2	ChEMBL_196935 (CHEMBL803952)	Inhibition of purified HIV-2 reverse transcriptase
50036081	3	ChEMBL_196932 (CHEMBL803949)	Inhibition of purified HIV-1 reverse transcriptase
50036081	1	ChEBML_196935	Inhibition of purified HIV-2 reverse transcriptase
50005477	1	ChEMBL_64134 (CHEMBL676742)	Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme
50005477	2	ChEMBL_212182 (CHEMBL817746)	Inhibitory activity against bovine pancreatic trypsin
50005477	3	ChEMBL_152508 (CHEMBL761384)	Inhibitory activity against papain
50005477	5	ChEMBL_156955 (CHEMBL762665)	Inhibitory activity against porcine pancreatic elastase
50005477	4	ChEMBL_49622 (CHEMBL660460)	Tested for inhibitory activity against bovine pancreatic chymotrypsinogen
50005479	2	ChEMBL_99829 (CHEMBL709859)	Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]LTB4.
50005479	1	ChEMBL_99506 (CHEMBL879635)	Binding affinity to leukotriene B4 receptor on intact human PMNs by displacing radioligand [3H]LTB4
50005482	3	ChEMBL_151530 (CHEMBL762243)	In vitro inhibition of protein-tyrosine activity of p56lck enzyme in presence of 50 uM ATP
50005482	2	ChEMBL_66715 (CHEMBL674638)	Inhibition of in vitro activity of EGFr enzyme from A431 cells in presence of 5 uM ATP
50005482	1	ChEMBL_221796 (CHEMBL843190)	Inhibition of in vitro protein-tyrosine kinase activity of p60v-src enzyme in presence of 5 uM ATP.
50005484	2	ChEMBL_30615 (CHEMBL642022)	Displacement of [125I]AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA
50005484	1	ChEMBL_31069 (CHEMBL640429)	Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane
50005484	3	ChEMBL_29643 (CHEMBL639750)	Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane
50036082	1	ChEBML_29531	Reversible binding Ki was measured by the inhibition of the carbon-carbon bond cleavage activity against rat ATP-Citrate Lyase
50036084	4	ChEMBL_2990 (CHEMBL619781)	Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.
50036085	1	ChEBML_1856	Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand
50036087	1	ChEMBL_29305 (CHEMBL640366)	Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA
50036087	9	ChEBML_29420	Binding affinity for adenosine A1 receptor using [3H]- CHA
50036088	1	ChEBML_58972	Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1
50000678	6	ChEBML_29408	In vitro inhibitory activity against acetylcholinesterase
50036091	2	ChEMBL_63659 (CHEMBL878146)	In vitro inhibitory activity against human leukocyte elastase
50036092	2	ChEBML_146546	In Vitro evaluation for the binding affinity in homogenates of rat brain at opioid receptor mu by displacing [3H]- DAMGO
50036092	1	ChEBML_147061	In Vitro evaluation for the binding affinity in homogenates of rat brain at Opioid receptor delta 1 by displacing [3H]- DSLET
50036093	7	ChEMBL_1861 (CHEMBL616832)	Compound was tested for binding affinity towards 5-HT1C (5-HT1C) receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand
50036100	9	ChEMBL_32819 (CHEMBL646470)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase
50036100	7	ChEMBL_32820 (CHEMBL646471)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain aminopeptidase
50036100	11	ChEBML_32821	Inhibitory potency against purified membrane bound rat brain aminopeptidase
50036101	2	ChEMBL_2987 (CHEMBL621504)	Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.
50036102	8	ChEMBL_29289 (CHEMBL640350)	Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor
50036102	22	ChEMBL_30567 (CHEMBL649879)	Binding affinity against Adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in rat striatal membranes
50036102	13	ChEMBL_29286 (CHEMBL640347)	Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig forebrain membranes
50036102	12	ChEMBL_29290 (CHEMBL640351)	Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in guinea pig membranes
50036102	4	ChEMBL_28993 (CHEMBL643468)	Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in rat brain membranes
50044017	3	ChEMBL_3381 (CHEMBL619411)	Displacement of [3H]Q-ICS-205-930 from 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes
50044017	4	ChEMBL_3380 (CHEMBL620616)	Compound was evaluated for the displacement of [3H]Q-ICS-205-930 from 5-HT3 recognition sites in rat brain membranes
50036108	11	ChEMBL_62171 (CHEMBL675168)	Inhibition of [3H]mazindol binding to the dopamine transporter.
50036108	6	ChEMBL_62799 (CHEMBL674112)	Inhibition of [3H]mazindol binding to the dopamine transporter.
50036108	7	ChEMBL_62169 (CHEMBL675166)	Inhibition of [3H]cocaine binding to the dopamine transporter.
50036108	17	ChEMBL_62167 (CHEMBL675010)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter.
50036108	2	ChEMBL_62168 (CHEMBL675011)	Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter
50036108	12	ChEMBL_62162 (CHEMBL675005)	Inhibition of [125I]RTI-55 cocaine binding to the dopamine transporter.
50036108	1	ChEBML_62171	Inhibition of [3H]mazindol binding to the dopamine transporter.
50036108	23	ChEMBL_62794 (CHEMBL673944)	Inhibition of [3H]WIN-35065-2 binding to the dopamine transporter.
50036108	8	ChEMBL_62797 (CHEMBL674110)	Inhibition of [3H]cocaine binding to the dopamine transporter.
50036108	14	ChEMBL_62800 (CHEMBL674113)	Inhibition of [3H]dopamine uptake at dopamine transporter.
50036108	13	ChEMBL_62801 (CHEMBL674114)	Inhibition of dopamine uptake at dopamine transporter.
50036108	5	ChEMBL_62165 (CHEMBL675008)	Inhibition of [3H]GBR-12935 binding to the dopamine transporter.
50036108	20	ChEMBL_62798 (CHEMBL674111)	Inhibition of [3H]dopamine uptake at the dopamine transporter.
50036108	15	ChEMBL_62166 (CHEMBL675009)	Inhibition of [3H]WIN-35065-2 binding to the dopamine transporter.
50036108	3	ChEMBL_62183 (CHEMBL884454)	Inhibition of [3H]dopamine uptake at dopamine transporter.
50005494	1	ChEMBL_143663 (CHEMBL755904)	Binding affinity for NPPF receptor in rat spinal cord membranes using the radioligand [125I]-[Tyr1]NPFF
50005495	1	ChEMBL_201879 (CHEMBL807241)	Evaluated for the binding affinity at sigma receptor
50005495	4	ChEMBL_138867 (CHEMBL747713)	Evaluated for the binding affinity at mu receptor
50005495	3	ChEMBL_146337 (CHEMBL753786)	Evaluated for the binding affinity at delta receptor
50005496	1	ChEMBL_157477 (CHEMBL765796)	In vitro inhibitory activity against prolyl endopeptidase (PEP)
50005498	1	ChEMBL_28496 (CHEMBL645926)	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes
50036108	4	ChEMBL_62182 (CHEMBL672121)	Inhibition of [3H]-dopamine uptake at dopamine transporter.
50036108	22	ChEMBL_62791 (CHEMBL673941)	Inhibition of [125I]RTI-55 cocaine binding to the dopamine transporter.
50036108	18	ChEMBL_62170 (CHEMBL675167)	Inhibition of [3H]dopamine uptake at the dopamine transporter.
50036108	9	ChEMBL_62792 (CHEMBL673942)	Inhibition of [3H]BTCP binding to the dopamine transporter.
50036108	19	ChEMBL_62795 (CHEMBL674108)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter.
50036108	10	ChEMBL_62163 (CHEMBL675006)	Inhibition of [3H]BTCP binding to the dopamine transporter.
50005504	2	ChEMBL_209593 (CHEMBL814728)	In vitro thromboxane-A2 receptor binding affinity to displace by 50% [3H]-SQ 29548 binding from washed human platelets
50005504	1	ChEMBL_209418 (CHEMBL880221)	In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clotting at 37 degrees Centigrade
50036108	16	ChEMBL_62793 (CHEMBL673943)	Inhibition of [3H]GBR-12935 binding to the dopamine transporter.
50036108	24	ChEMBL_62796 (CHEMBL674109)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter
50036110	1	ChEBML_35491	Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney
50036110	3	ChEMBL_35492 (CHEMBL646402)	Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate
50036111	3	ChEMBL_159483 (CHEMBL769443)	Inhibitory activity of the Compound was tested against HIV protease enzyme.
50036111	5	ChEMBL_157548 (CHEMBL763135)	Binding affinity against HIV Protease enzyme.(by Dixon analysis)
50036111	2	ChEMBL_159480 (CHEMBL769440)	Inhibitory activity of the Compound was tested against HIV protease enzyme.
50036111	11	ChEMBL_159608 (CHEMBL760090)	Inhibitory activity of the Compound was tested against HIV protease enzyme.(value reported by Roche group)
50036111	9	ChEMBL_157549 (CHEMBL763136)	Binding affinity against HIV protease enzyme.(by Dixon analysis)
50036111	4	ChEBML_159481	Inhibitory activity of the Compound was tested against HIV protease enzyme.(value reported by Roche group)
50036111	7	ChEMBL_159481 (CHEMBL769441)	Inhibitory activity of the Compound was tested against HIV protease enzyme.(value reported by Roche group)
50036111	8	ChEMBL_159482 (CHEMBL769442)	Inhibitory activity of the Compound was tested against HIV protease enzyme
50005510	1	ChEMBL_3922 (CHEMBL619925)	In vitro inhibition of 5-lipoxygenase (5-HETE) derived from the 9000xg supernatant of RBL broken cell assay
50036111	6	ChEMBL_159478 (CHEMBL769438)	Inhibitory activity of the Compound was tested against HIV protease enzyme
50036112	1	ChEBML_28304	In vitro inhibitory activity against human Acetylcholinesterase
50005515	1	ChEMBL_157568 (CHEMBL763319)	In vitro ability to inhibit HIV-protease.
50036113	1	ChEBML_162178	Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay
50036114	3	ChEMBL_48256 (CHEMBL662867)	Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex
50036114	1	ChEBML_50060	Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas
50036114	4	ChEMBL_50060 (CHEMBL662429)	Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas
50036114	2	ChEBML_48256	Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex
50036115	11	ChEMBL_34524 (CHEMBL648165)	The ability to inhibit [3H]rauwolscine binding to alpha-2 adrenergic receptor in rat cortex
50036115	12	ChEMBL_2403 (CHEMBL617681)	The ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat whole brain
50036115	15	ChEMBL_3004 (CHEMBL619794)	Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor
50036116	8	ChEMBL_63371 (CHEMBL676107)	Compound was evaluated for the binding affinity to Endothelin A receptor in the rat aorta
50036116	4	ChEMBL_63372 (CHEMBL676108)	Compound was evaluated for the binding affinity to Endothelin A receptor in the rat atrium
50036116	7	ChEBML_64189	Compound was evaluated for the binding affinity to Endothelin B receptor in the rat hippocampus
50036116	9	ChEMBL_63209 (CHEMBL676577)	Compound was evaluated for the Inhibition of the contractile response of Endothelin A receptor in rabbit thoracic aorta
50036116	3	ChEMBL_64188 (CHEMBL676549)	Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellum
50018111	2	ChEMBL_2264524	Antagonist activity at mouse spleen CB2R assessed as inhibition constant
50018111	3	ChEMBL_2264526	Binding affinity to rat CB1R assessed as inhibition constant
50018111	4	ChEMBL_2264527	Binding affinity to wild type human CB2R expressed in HEK293 cells assessed as inhibition constant
50018111	5	ChEMBL_2264528	Antagonist activity at human CB2R assessed as beta arrestin-2 recruitment by measuring inhibition constant
50018111	6	ChEMBL_2264529	Antagonist activity at human CB1R assessed as beta arrestin-2 recruitment by measuring inhibition constant
50018111	7	ChEMBL_2264531	Antagonist activity at human CB2R expressed in CHO cells assessed as inhibition of forskolin stimulated cyclic AMP production
50018111	8	ChEMBL_2264532	Antagonist activity at rat CB1R expressed in CHO cells assessed as inhibition of forskolin stimulated cyclic AMP production
50018114	1	ChEMBL_2264533	Binding affinity to human VHL by isothermal calorimetric assay
50018114	2	ChEMBL_2264535	Displacement of p53 from human MDM2 by HTRF assay
50018114	3	ChEMBL_2264545	Inhibition of His-tagged TRIM24 (unknown origin) expressed in Escherichia coli BL21(DE3)pLysS competent cells using biotinylated-H3K23ac peptide as substrate incubated for 30 mins by Alphascreen assay
50018114	4	ChEMBL_2264581	Displacement of dBET6 from CRBN (unknown origin) transfected in BRD4 BD2-GFP mCherry report cells incubated for 5 hrs
50018114	5	ChEMBL_2264591	Inhibition of HCV NS3/4a protease in Huh7.5 SGR cells using [Ac-DE-D(Edans)-EE-Abu-[COO]AS-K(Dabcyl)-NH2] as substrate preincubated for 15 mins followed by substrate addition and incubated for 1 hr by FRET assay
50018114	6	ChEMBL_2264595	Binding affinity to RNF114 (unknown origin)
50018114	7	ChEMBL_2264604	Binding affinity to RNF4 (unknown origin)
50018114	8	ChEMBL_2264606	Binding affinity to FEM1B (unknown origin)
50018114	9	ChEMBL_2264610	Binding affinity to VHL (unknown origin)
50018115	1	ChEMBL_2264658	Inhibition of human CDK9/cyclin T1 in presence of ATP
50018115	2	ChEMBL_2264659	Inhibition of human CDK4/Cyclin D3 in presence of ATP
50018115	3	ChEMBL_2264660	Inhibition of CDK6 (unknown origin)
50018115	4	ChEMBL_2264661	Inhibition of CDK9 (unknown origin)
50036117	5	ChEBML_145230	Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates
50036117	4	ChEMBL_146663 (CHEMBL753646)	Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates
50036117	6	ChEBML_145295	Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain homogenates
50036117	1	ChEMBL_146265 (CHEMBL757489)	Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homogenates
50036117	8	ChEMBL_145296 (CHEMBL752676)	Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to mOpioid receptor mu 1 in guinea pig brain homogenates
50036117	10	ChEMBL_145295 (CHEMBL752189)	Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain homogenates
50000453	7	ChEBML_138957	Compound was evaluated for its binding affinity towards M1 receptor in rat cortex
50000453	8	ChEBML_140188	Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem
50036118	3	ChEBML_54097	In vitro inhibition of human dihydrofolate reductase (DHFR)
50036119	1	ChEMBL_50724 (CHEMBL664248)	Inhibition of cytochrome P450 19A1
50036119	4	ChEMBL_51024 (CHEMBL664581)	Inhibition constant for human placental cytochrome P450 19A1
50036119	5	ChEMBL_51023 (CHEMBL664580)	Inhibition constant for human placental Cytochrome P450 19A1
50036119	2	ChEMBL_50723 (CHEMBL664247)	Inhibition of Cytochrome P450 19A1
50036120	12	ChEMBL_63642 (CHEMBL675353)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 28 uM concentration
50036120	5	ChEMBL_96626 (CHEMBL705699)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)
50036120	6	ChEMBL_63978 (CHEMBL677604)	HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot
50036120	1	ChEBML_63648	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 65 uM concentration
50036121	1	ChEBML_162185	Ability to inhibit purine nucleoside phosphorylase (PNP)
50036121	2	ChEMBL_162185 (CHEMBL766705)	Ability to inhibit purine nucleoside phosphorylase (PNP)
50036122	1	ChEBML_28339	In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits
50005527	1	ChEMBL_30936 (CHEMBL646740)	Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)
50005528	1	ChEMBL_208126 (CHEMBL818155)	Inhibitory concentration against Thrombin; 0.029-0.15 uM
50036122	2	ChEMBL_28338 (CHEMBL646538)	Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.
50036124	1	ChEBML_221704	Inhibition of PAF induced platelet aggregation in rabbit
50005533	1	ChEMBL_159928 (CHEMBL769653)	Tested for inhibition against Prostaglandin G/H synthase 2
50036125	3	ChEMBL_49724 (CHEMBL661966)	Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type A receptor in guinea pig pancreatic membrane
50036125	1	ChEBML_48094	Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane
50036125	2	ChEBML_49724	Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type A receptor in guinea pig pancreatic membrane
50036127	1	ChEBML_146391	Binding affinity for k opioid receptor was determined using [3H]U-69593 radioligand in Guinea pig brain membranes
50036127	2	ChEBML_147140	Binding affinity for delta opioid receptor was determined using radioligand [3H]DPDPE in Guinea pig brain membranes.
50036127	3	ChEBML_221926	Binding affinity for mu opioid receptor was determined using radioligand [3H][D-Ala2,MePhe4,Gly-ol6]enkephalin (DAMGO) in Guinea pig brain membranes.
50006219	5	ChEMBL_153322 (CHEMBL760476)	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate
50006219	3	ChEMBL_153324 (CHEMBL882291)	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate
50006219	4	ChEMBL_153323 (CHEMBL873308)	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 1 mM phosphate
50006219	1	ChEBML_153324	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate
50006219	6	ChEMBL_153321 (CHEMBL760057)	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate
50006221	1	ChEBML_140760	Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]D-Ala2-Leu-enkephalin as substrate
50006221	3	ChEMBL_36743 (CHEMBL646967)	Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 uM N-Cbz-Phe-His-Leu as substrate
50006221	5	ChEMBL_36742 (CHEMBL646966)	Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 micro M N-Cbz-Phe-His-Leu as substrate
50006222	2	ChEMBL_156048 (CHEMBL760624)	Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2. 
50036129	2	ChEBML_59890	Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand
50036129	3	ChEBML_62562	Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand
50036129	4	ChEMBL_59890 (CHEMBL673016)	Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand
50036129	1	ChEBML_581	Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand
50005545	1	ChEMBL_36000 (CHEMBL644708)	Inhibition against ACE.
50006295	5	ChEMBL_29455 (CHEMBL641040)	Binding affinity at Adenosine A1 receptor in rat brain
50006298	1	ChEMBL_64979 (CHEMBL675564)	Inhibitory activity against endopeptidase 24.15
50006298	3	ChEBML_34929	Inhibitory activity against angiotensin converting enzyme
50006298	2	ChEMBL_64978 (CHEMBL675563)	Inhibitory activity against endopeptidase 24.11
50006299	4	ChEBML_29287	Binding affinity against Adenosine A1 receptor of cerebral cortex using [3H]-CPX
50005548	3	ChEMBL_202115 (CHEMBL808973)	Tested for inhibition against squalene synthase enzyme in rat liver
50005548	1	ChEMBL_202279 (CHEMBL814047)	compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)
50005548	2	ChEMBL_202278 (CHEMBL814046)	Compound required to inhibit 50% activity of yeast squalene synthase enzyme (YESS)
50005549	13	ChEMBL_140465 (CHEMBL750517)	Compound was evaluated for in vitro inhibition of cortical slice at NMDA receptor
50005549	4	ChEMBL_140470 (CHEMBL747061)	Compound was evaluated for in vitro inhibition of cGMP cerebellar slice at NMDA receptor.
50005549	17	ChEMBL_140491 (CHEMBL747081)	Compound was evaluated for in vitro inhibition of cortical neuron at NMDA receptor
50006299	5	ChEMBL_29287 (CHEMBL640348)	Binding affinity against Adenosine A1 receptor of cerebral cortex using [3H]-CPX
50036131	2	ChEBML_154415	In vitro inhibition of PDE-V isolated from porcine pulmonary artery.
50005549	1	ChEMBL_140473 (CHEMBL747064)	Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor
50005549	3	ChEMBL_140471 (CHEMBL747062)	Compound was evaluated for in vitro inhibition of cortical slice at NMDA receptor
50005549	16	ChEMBL_141949 (CHEMBL749586)	Compound was evaluated for in vitro inhibition of oocytes at NMDA receptor.
50006301	1	ChEBML_212937	Inhibitory binding activity against TXA2 receptor in human platelet membrane, using [3H]-SQ 29548 as the radioligand
50006134	1	ChEBML_40277	In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.
50036132	1	ChEBML_62775	Tested for inhibition of the binding of [125I]NCQ298 to dopamine receptor D3
50036132	3	ChEMBL_62775 (CHEMBL673302)	Tested for inhibition of the binding of [125I]NCQ298 to dopamine receptor D3
50036132	2	ChEBML_63049	Tested for inhibition of the binding of [125I]NCQ298 to D2 receptor
50006312	2	ChEMBL_202289 (CHEMBL872626)	Tested for inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate (PPi)
50006312	1	ChEBML_202289	Tested for inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate (PPi)
50006313	1	ChEBML_860	In vitro binding affinity towards the 5-hydroxytryptamine 1A receptor was evaluated
50005549	2	ChEMBL_140472 (CHEMBL747063)	Compound was evaluated for in vitro inhibition of cortical slice release at NMDA receptor.
50041206	6	ChEMBL_3383 (CHEMBL619413)	Displacement of [3H]-Q-ICS 205-930 from rat cortex homogenate 5-hydroxytryptamine 3 receptor
50041206	5	ChEMBL_2178 (CHEMBL617252)	isplacement of [3H]DOB from rat cortex homogenate 5-hydroxytryptamine 2 receptor
50005549	9	ChEMBL_140464 (CHEMBL750516)	Compound was evaluated for in vitro inhibition of [3H]TCP at NMDA receptor.
50005549	6	ChEMBL_140474 (CHEMBL747065)	Compound was evaluated for in vitro inhibition of spinal cord at NMDA receptor.
50005550	1	ChEMBL_36656 (CHEMBL649916)	In vitro binding affinity for angiotensin II AT2 receptor in rat midbrain
50006321	2	ChEMBL_207656 (CHEMBL811638)	Activity against TXA2 synthase in bovine platelet microsome
50006322	1	ChEMBL_28333 (CHEMBL645897)	Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit intestine microsomes.
50006322	2	ChEBML_28333	Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit intestine microsomes.
50006322	3	ChEMBL_28199 (CHEMBL637692)	Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.
50005552	1	ChEMBL_221141 (CHEMBL841830)	Binding affinity against p-hydroxybenzoate hydroxylase (PHBH) from Pseudomonas fluorescence competing with p-hydroxy benzoic acid
50005552	3	ChEMBL_221139 (CHEMBL841828)	Inhibitory concentration against p-hydroxybenzoate hydroxylase (PHBH) from Pseudomonas fluorescence
50005553	1	ChEMBL_66719 (CHEMBL674642)	Inhibition of EGF-R Tyrosine kinase (TK)
50006323	2	ChEMBL_28334 (CHEMBL645898)	Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabbit intestine microsomes
50006323	4	ChEBML_28332	Tested for inhibition against Acyl coenzyme A:cholesterol acyltransferase derived from rabbit aorta homogenate (>, denotes no effect at the concentration indicated)
50006323	3	ChEMBL_28335 (CHEMBL645899)	Tested for inhibition against Acyl coenzyme A:cholesterol acyltransferase derived from rabbit intestine microsomes (>, denotes no effect at the concentration indicated)
50006323	5	ChEMBL_28331 (CHEMBL645895)	Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabbit aorta homogenate
50005554	9	ChEMBL_139981 (CHEMBL751167)	In vitro binding affinity for muscarinic M1 receptor by displacing [3H]Pirenzepine binding on rat brain homogenate
50006323	1	ChEMBL_28332 (CHEMBL645896)	Tested for inhibition against Acyl coenzyme A:cholesterol acyltransferase derived from rabbit aorta homogenate (>, denotes no effect at the concentration indicated)
50036134	16	ChEMBL_141656 (CHEMBL749779)	Tested for binding affinity against human NK-1 receptor
50005567	3	ChEMBL_1448 (CHEMBL616572)	Tested for the inhibitory activity against 5-hydroxytryptamine 1A receptor in rat hippocampal
50005567	6	ChEMBL_62935 (CHEMBL673840)	Tested for the inhibitory activity against Dopamine D3 receptor in infected Sf9 cells
50036134	13	ChEMBL_141657 (CHEMBL749780)	Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand
50005567	5	ChEMBL_201898 (CHEMBL808189)	Tested for the inhibitory activity against sigma receptor rat cerebellar
50005567	1	ChEMBL_201900 (CHEMBL808191)	tested for the inhibitory activity against sigma receptor rat cerebellar
50036134	12	ChEMBL_144648 (CHEMBL752058)	Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand
50036135	2	ChEMBL_28336 (CHEMBL646536)	Acyl coenzyme A:cholesterol acyltransferase (ACAT), inhibition by incubation with [1-14C]oleolyl-CoA and intestinal microsomes isolated from intestinal mucosa of cholesterol-fed rabbits
50048903	1	ChEMBL_211322 (CHEMBL818981)	Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control
50036135	1	ChEBML_28336	Acyl coenzyme A:cholesterol acyltransferase (ACAT), inhibition by incubation with [1-14C]oleolyl-CoA and intestinal microsomes isolated from intestinal mucosa of cholesterol-fed rabbits
50006142	3	ChEMBL_99668 (CHEMBL705076)	The antagonist activity measured as inhibition of LTB4 response in aggregation of neutrophils
50006142	5	ChEMBL_99661 (CHEMBL704427)	Inhibition of specific binding of [3H]LTB4 ( 0.1 nM) to LTB4 receptor on intact human neutrophils
50006142	6	ChEMBL_99659 (CHEMBL704425)	Inhibition of specific binding of LTB4 ( 0.1 nM) to receptors on intact human neutrophils
50006142	4	ChEMBL_99838 (CHEMBL706758)	Inhibition constant against binding of [3H]LTB4 to human neutrophils
50006346	1	ChEBML_208497	Inhibition constant for binding with thrombin was determined
50006348	1	ChEMBL_153319 (CHEMBL760055)	In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate
50006348	2	ChEBML_153319	In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate
50006348	3	ChEMBL_153320 (CHEMBL760056)	Inhibition of purine nucleoside phosphorylase from calf spleen in 50 mM phosphate
50036139	1	ChEMBL_146377 (CHEMBL754734)	Binding affinity for kappa opioid receptor was evaluated by displacing [3H]- diprenorphine
50036139	2	ChEMBL_146375 (CHEMBL754732)	Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p
50036139	5	ChEMBL_146376 (CHEMBL754733)	Binding affinity for kappa opioid receptor in presence of 120 mM NaCl and 50 micro M Gpp(NH)p
50036139	3	ChEBML_146375	Binding affinity for kappa opioid receptor in absence of 120 mM NaCl and 50 micro M Gpp(NH)p
50006350	1	ChEMBL_62802 (CHEMBL674115)	Inhibition constant of high-affinity dopamine uptake
50006350	7	ChEMBL_274 (CHEMBL615714)	Inhibition constant of high-affinity 5-HT uptake
50006350	8	ChEBML_274	Inhibition constant of high-affinity 5-HT uptake
50006350	5	ChEMBL_216905 (CHEMBL821923)	Inhibition of high affinity choline uptake at concentration of 1 uM
50036140	4	ChEBML_36748	Inhibition of Angiotensin I converting enzyme
50036140	1	ChEBML_34679	Inhibition of Angiotensin II receptor, type 1
50006064	3	ChEMBL_62871 (CHEMBL673583)	In vitro binding affinity against dopamine receptor D2 using [3H]-Raclopride as radioligand in CHO cells (sc)
50006064	7	ChEBML_605	In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO cells (sc)
50006064	6	ChEBML_1203	In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO cells (sc)
50036142	4	ChEMBL_145188 (CHEMBL754288)	In vitro inhibitory activity against delta specific tissue of hamster vas deferens
50036142	5	ChEMBL_221939 (CHEMBL842478)	In vitro inhibitory activity against mu specific tissue of rat vas deferens
50036142	6	ChEMBL_145680 (CHEMBL754276)	In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.
50036143	1	ChEBML_159976	Binding affinity against HIV-1 aspartic proteinase was determined
50006075	1	ChEBML_902	Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50006076	1	ChEBML_54602	Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM)
50006078	5	ChEMBL_158900 (CHEMBL760887)	Binding affinity for progesterone 17-alpha,20-lyase
50006185	1	ChEBML_47651	Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]pCCK-8 radioligand
50006185	12	ChEBML_49728	Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]pCCK-8 radioligand
50006185	4	ChEMBL_48413 (CHEMBL662910)	Tested for binding affinity towards CCK-B in mouse brain by displacement of [3H]-pBC264 radioligand
50006185	13	ChEMBL_49729 (CHEMBL661971)	Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes
50006185	14	ChEMBL_48104 (CHEMBL663091)	Tested for inhibition of [3H]pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex
50006185	2	ChEBML_49880	Tested for inhibition of [3H]pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex
50006185	5	ChEMBL_48611 (CHEMBL659592)	Tested for binding affinity towards cholecystokinin type B receptor in rat cortex by displacement of [3H]pBC264 radioligand
50005578	1	ChEMBL_1447 (CHEMBL616571)	Tested for the binding affinity against the site labelled by the 5-hydroxytryptamine 1A receptor agonist [3H]- 8-OH-DPAT
50005578	4	ChEMBL_1298 (CHEMBL616675)	Binding affinity against the site labelled by the 5-hydroxytryptamine 1A receptor agonist [3H]- 8-OH-DPAT
50036177	2	ChEMBL_1106 (CHEMBL616290)	Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus
50036177	5	ChEMBL_1328 (CHEMBL616954)	Binding affinity for 5-hydroxytryptamine 1A receptor by use of [3H]8-OH-DPAT in male rat
50005979	2	ChEMBL_51443 (CHEMBL664363)	Tested for the inhibition of lipid peroxidation in bovine brain phospholipid liposomes
50005979	1	ChEMBL_3983 (CHEMBL619256)	Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL).
50006095	1	ChEBML_208763	Tested for inhibition against thymidylate synthase (TS) in Escherichia coli
50041256	7	ChEMBL_33591 (CHEMBL858019)	The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor
50036475	3	ChEMBL_62654 (CHEMBL679189)	Binding affinity against dopamine transporter in rat caudate putamen tissue using [3H]WIN-35428 radioligand.
50036590	6	ChEMBL_209091 (CHEMBL813432)	Binding affinity towards thrombin
50036758	2	ChEMBL_36139 (CHEMBL648328)	Binding affinity for human Androgen receptor expressed in COS-1 cells
50036758	1	ChEBML_35935	Agonist activity against Human Androgen receptor expressed in CV-1 cells
50036758	4	ChEMBL_35935 (CHEMBL646843)	Agonist activity against Human Androgen receptor expressed in CV-1 cells
50036758	3	ChEMBL_36114 (CHEMBL648079)	Antagonist activity against Human Androgen receptor expressed in CV-1 cells
50038381	46	ChEMBL_473843 (CHEMBL921091)	Inhibition of Aurora kinase B in MCF7 cells
50044076	1	ChEMBL_1337635 (CHEMBL3242684)	Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells
50044076	2	ChEMBL_1337637 (CHEMBL3242686)	Inhibition of human SSAT using spermidine as substrate
50044076	3	ChEMBL_1337624 (CHEMBL3242673)	Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at pH 7.6 at -40mV holding potential by two-electrode voltage-clamp electrophysiology
50005588	2	ChEMBL_223060 (CHEMBL841531)	Binding affinity against nicotinic acetylcholine receptor (nAChR)
50005588	1	ChEMBL_223059 (CHEMBL841530)	Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)
50009941	2	ChEMBL_39236 (CHEMBL655732)	In vitro binding affinity against bombesin / GRP receptors on rat pancreatic acini.
50005589	2	ChEMBL_28511 (CHEMBL642850)	The concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity was measured at the dosage by using microsomal ACAT assay
50005590	6	ChEMBL_200975 (CHEMBL802062)	Binding affinity against sigma-1 receptor in guinea pig brain using [3H](+)-pentazocine as radioligand.
50005590	2	ChEMBL_62097 (CHEMBL674977)	Binding affinity against D-2 dopamine receptor in rat brain membranes using [3H](-)-sulpiride as radioligand.
50005590	3	ChEMBL_201875 (CHEMBL806325)	Binding affinity against MCF cells in the membrane preparation using radioligand binding assay.
50005590	4	ChEMBL_200974 (CHEMBL802061)	Binding affinity against sigma-1 receptor in guinea pig brain using [3H](+)-pentazocine as radioligand
50012358	4	ChEMBL_65647 (CHEMBL678559)	Compound was evaluated for its binding affinity towards human Endothelin A receptor
50012358	5	ChEMBL_36920 (CHEMBL647120)	Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1
50012358	1	ChEMBL_34836 (CHEMBL648770)	Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1
50013190	6	ChEMBL_83635 (CHEMBL695765)	Inhibition of human Histamine H3 receptor using [3H]N-alpha-methyl histamine
50013190	4	ChEMBL_87085 (CHEMBL700763)	Inhibition of human Histamine H4 receptor
50013190	7	ChEMBL_85521 (CHEMBL697132)	Inhibition of human Histamine H2 receptor using [3H]tiotidine
50038381	116	ChEMBL_473831 (CHEMBL936826)	Activity at human wild type CFTR expressed in CHO cells assessed as forskolin stimulated iodide flux
50013190	3	ChEMBL_84417 (CHEMBL691450)	Inhibition of human Histamine H1 receptor using [3H]pyrilamine
50013661	10	ChEMBL_196897 (CHEMBL807181)	Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA
50013661	3	ChEMBL_196896 (CHEMBL806515)	In vitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined
50006098	1	ChEBML_157716	Inhibition constant was determined against HIV-1 protease
50006098	2	ChEMBL_157716 (CHEMBL763390)	Inhibition constant was determined against HIV-1 protease
50041207	1	ChEBML_36150	Inhibitory activity against angiotensin converting enzyme (ACE)
50041207	3	ChEMBL_36150 (CHEMBL648337)	Inhibitory activity against angiotensin converting enzyme (ACE)
50036148	2	ChEBML_135946	Inhibitory activity against mu-opioid receptor in guinea pig ileum longitudinal muscle using morphine
50036148	3	ChEBML_220927	Inhibitory activity against kappa-opioid receptor in guinea pig ileum longitudinal muscle using ethylketazocine
50006109	2	ChEBML_36152	Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined
50006109	1	ChEBML_144621	Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined
50006109	3	ChEMBL_36152 (CHEMBL648339)	Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined
50036149	1	ChEBML_29423	Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement.
50036149	12	ChEBML_30869	Binding affinity at Adenosine A2 receptor from rat striatal membranes by N-[3H] ethyladenosin-5'- uronamide displacement.
50036150	3	ChEMBL_201716 (CHEMBL803753)	Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using [3H]ditolylguanidine (DTG) as radioligand.
50036150	1	ChEBML_201715	Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand
50036150	9	ChEMBL_201715 (CHEMBL803752)	Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand
50036150	8	ChEBML_58555	Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2
50036150	10	ChEMBL_58555 (CHEMBL667490)	Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2
50036150	11	ChEMBL_58176 (CHEMBL669683)	Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23390 as radioligand.
50006089	3	ChEBML_36944	In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without using bovine serum albumin (BSA)
50006089	1	ChEBML_36944	In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without using bovine serum albumin (BSA)
50006089	5	ChEMBL_36943 (CHEMBL648846)	In vitro antagonistic activity for AT1 receptor by displacing 125I[Sar, ILe8]AII radioligand in rabbit aorta membrane without using bovine serum albumin (BSA)
50006089	4	ChEMBL_36944 (CHEMBL648847)	In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing 125I[Sar, ILe8 ]AII radioligand in rabbit aorta membrane without using bovine serum albumin (BSA)
50006089	2	ChEMBL_36942 (CHEMBL648845)	In vitro antagonistic activity for AT1 receptor by displacing 125I[Sar, ILe8]AII radioligand in rabbit aorta membrane using 0.2% bovine serum albumin (BSA)
50005599	3	ChEMBL_148875 (CHEMBL753751)	Tested for inhibition constant at OT receptor of rat mammary glands
50005599	2	ChEMBL_215175 (CHEMBL821348)	Tested for inhibition constant at V2 receptor of rat kidney membrane
50006152	1	ChEBML_40275	Binding affinity against [3H]bradykinin binding to bradykinin receptor B2 in guinea pig ileal membrane
50036151	6	ChEMBL_147285 (CHEMBL755438)	Selective binding affinity against Opioid receptor delta 1, using [3H]DPDPE as radioligand
50036152	3	ChEBML_78071	Tested for inhibitory activity against HIV-1 protease
50005606	2	ChEMBL_3987 (CHEMBL619259)	Inhibition of 5-lipoxygenase in bovine PMNL cell assay.
50036152	2	ChEMBL_78071 (CHEMBL683629)	Tested for inhibitory activity against HIV-1 protease
50036151	1	ChEBML_146802	selective binding affinity against kappa opioid receptor, using [3H]U-69593 as radioligand
50036151	3	ChEBML_138752	selective binding affinity against mu opioid receptor, using [3H]DAMGO as radioligand
50005606	4	ChEMBL_3818 (CHEMBL618005)	Inhibition of human 5-lipoxygenase in human cells
50036151	2	ChEMBL_145073 (CHEMBL754004)	Selective binding affinity against Opioid receptor delta 2, using [3H]DSLET as radioligand
50036152	1	ChEBML_157867	Tested for inhibitory activity against HIV-1 protease
50036153	4	ChEMBL_40423 (CHEMBL652638)	Binding affinity against human bradykinin receptor B2 using [3H]bradykinin as radioligand
50036153	1	ChEBML_40423	Binding affinity against human bradykinin receptor B2 using [3H]bradykinin as radioligand
50036154	3	ChEBML_65825	Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells
50036154	2	ChEBML_64039	Effective concentration against Endothelin B receptor from rat cerebellum
50036154	9	ChEMBL_64039 (CHEMBL677401)	Effective concentration against Endothelin B receptor from rat cerebellum
50006158	4	ChEBML_153845	Binding affinity against human pepsin
50005609	5	ChEMBL_2841 (CHEMBL621526)	The compound evaluated for its affinity against 5-hydroxytryptamine 2C receptor
50005609	3	ChEMBL_2842 (CHEMBL621527)	Affinity against 5-hydroxytryptamine 2C receptor in J1 cells transfected with the rat 5-HT2C gene labeled with [3H]mesulergine.
50036156	1	ChEBML_208261	Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells
50005609	1	ChEMBL_2496 (CHEMBL617383)	The compound evaluated for its affinity against 5-hydroxytryptamine 2A receptor
50036156	2	ChEMBL_208261 (CHEMBL813222)	Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells
50036156	3	ChEMBL_208260 (CHEMBL873882)	Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cells
50006167	3	ChEMBL_99662 (CHEMBL704428)	Inhibitory concentration against LTB4 receptors in human PMNs
50036157	3	ChEMBL_2996 (CHEMBL619787)	Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex
50006173	2	ChEMBL_1194 (CHEMBL615960)	Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate (experiment 1)
50006173	1	ChEMBL_1195 (CHEMBL615961)	Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate (experiment 2)
50036158	4	ChEMBL_61755 (CHEMBL673358)	Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes
50036158	2	ChEMBL_30088 (CHEMBL642867)	Displacement of [3H]prazosin from alpha-1 adrenoceptors in whole rat brain membranes
50036158	1	ChEBML_61755	Displacement of [3H]spiperone from dopamine D2 receptors in rat striatal membranes
50006175	1	ChEMBL_4173 (CHEMBL619240)	Tested for inhibition of 5-HPETE production by rat 5-LO; value ranges from 16-36 nM
50006175	6	ChEMBL_3830 (CHEMBL618015)	Tested for inhibition of 5-HPETE production by human 5-LO
50006176	10	ChEMBL_195976 (CHEMBL807682)	In vitro inhibition of renin in human plasma
50006176	11	ChEMBL_192897 (CHEMBL795936)	Selectivity against dog plasma renin
50006176	2	ChEMBL_196430 (CHEMBL800433)	Selectivity against sheep plasma renin
50006176	12	ChEMBL_195975 (CHEMBL807523)	In vitro inhibition of purified human kidney renin
50006176	6	ChEBML_196430	Selectivity against sheep plasma renin
50006176	4	ChEBML_153848	Selectivity against human pepsin
50006231	2	ChEBML_207947	Inhibitory activity against human thrombin was determined
50006231	1	ChEMBL_207947 (CHEMBL811063)	Inhibitory activity against human thrombin was determined
50006182	8	ChEMBL_220931 (CHEMBL823999)	Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC at 100 nM from guinea pig cortical tissue
50006182	3	ChEMBL_220933 (CHEMBL824000)	Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue
50006182	5	ChEBML_222070	Binding affinity towards mu-opioid receptor by displacement of [3H]NAL at 10 nM from rat brain homogenates
50006182	4	ChEMBL_222070 (CHEMBL843461)	Binding affinity towards mu-opioid receptor by displacement of [3H]NAL at 10 nM from rat brain homogenates
50006182	7	ChEBML_220931	Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC at 100 nM from guinea pig cortical tissue
50006182	2	ChEMBL_220932 (CHEMBL874095)	Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC at 10 nM from guinea pig cortical tissue
50006182	6	ChEMBL_222071 (CHEMBL843462)	Binding affinity towards mu-opioid receptor by displacement of [3H]NAL at 100 nM from rat brain homogenates
50005616	1	ChEMBL_28920 (CHEMBL637740)	Inhibitory activity against acetylcholinesterase in mice at the dose of 6.6 mg/kg via intraperitoneal administration
50005616	4	ChEMBL_28303 (CHEMBL645002)	In vitro inhibitory activity against human acetylcholinesterase
50005616	3	ChEMBL_28915 (CHEMBL638613)	Inhibitory activity against acetylcholinesterase in mice at the dose of 1.8 mg/kg via intraperitoneal administration
50005616	9	ChEMBL_28918 (CHEMBL637738)	Inhibitory activity against acetylcholinesterase in mice at the dose of 4.8 mg/kg via intraperitoneal administration
50005616	7	ChEMBL_28916 (CHEMBL637736)	Inhibitory activity against acetylcholinesterase in mice at the dose of 3.6 mg/kg via intraperitoneal administration
50005616	6	ChEMBL_28917 (CHEMBL637737)	Inhibitory activity against acetylcholinesterase in mice at the dose of 4.4 mg/kg via intraperitoneal administration
50005616	5	ChEMBL_28914 (CHEMBL638612)	Inhibitory activity against acetylcholinesterase in mice at the dose of 1.2 mg/kg via intraperitoneal administration
50005616	2	ChEMBL_28913 (CHEMBL638611)	Inhibitory activity against acetylcholinesterase in mice at the dose of 0.8 mg/kg via intraperitoneal administration
50006182	1	ChEMBL_220934 (CHEMBL824001)	Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC from guinea pig cortical tissue
50006183	1	ChEBML_220942	Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in guinea pig cortical tissue
50006183	14	ChEMBL_215872 (CHEMBL821282)	Tested for affinity against beta-adrenergic using [3H]dihydroalprenolol in rat brain
50006183	3	ChEBML_220391	Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in rat brain homogenates
50006185	6	ChEBML_49729	Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes
50013661	14	ChEMBL_196896 (CHEMBL806515)	In vitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined
50036161	3	ChEBML_61819	Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain
50036161	1	ChEBML_143133	Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain
50036161	4	ChEMBL_61819 (CHEMBL672583)	Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 radioligand from rat brain
50006198	2	ChEMBL_151692 (CHEMBL760442)	Inhibition of PAF-induced platelet aggregation
50006198	1	ChEBML_151691	In vitro inhibition of PAF-induced platelet aggregation in male rabbits
50005620	1	ChEMBL_31338 (CHEMBL645544)	Compound was tested in vitro for inhibition of aldose reductase activity in partially purified bovine lens preparation
50005872	3	ChEBML_53006	Inhibition of dihydrofolate reductase in pneumocystis carinii.
50005872	7	ChEBML_53935	Tested for inhibitory activity against dihydrofolate reductase in Beef liver
50005622	1	ChEMBL_28505 (CHEMBL645934)	Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes
50005623	2	ChEMBL_99937 (CHEMBL714322)	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]5-HT
50005623	1	ChEMBL_99936 (CHEMBL714321)	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]- serotonin.
50005623	5	ChEMBL_100093 (CHEMBL709711)	Inhibitory activity against monoamine oxidase B (MAO B) from rat brain using a radiometric procedure with [14C]- phenethylamine.
50005623	3	ChEMBL_99938 (CHEMBL714323)	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]5-HT at 10 uM
50005623	6	ChEMBL_100094 (CHEMBL709712)	Inhibitory activity against monoamine oxidase B (MAO B) from rat brain using a radiometric procedure with [14C]phenylethylamine at 10 uM
50005623	4	ChEMBL_99939 (CHEMBL714324)	Inhibitory activity against monoamine oxidase A (MAO A) from rat brain using a radiometric procedure with [3H]5-HT at 1 uM
50005623	7	ChEMBL_100095 (CHEMBL709713)	Inhibitory activity against monoamine oxidase B (MAO B) from rat brain using a radiometric procedure with [14C]phenylethylamine at 1 uM
50005872	6	ChEMBL_54909 (CHEMBL884365)	Tested for inhibitory activity against dihydrofolate reductase in Lactobacillus casei
50005624	1	ChEMBL_45051 (CHEMBL658049)	Dissociation constant against human Carbonic anhydrase II (HCA II)
50005625	2	ChEMBL_155837 (CHEMBL768656)	Inhibition of cAMP specific-PDE 4 from porcine aorta
50005625	8	ChEMBL_155857 (CHEMBL768903)	Inhibition of cGMP stimulated-PDE 2 from porcine aorta
50005872	10	ChEMBL_53006 (CHEMBL664436)	Inhibition of dihydrofolate reductase in pneumocystis carinii.
50036167	3	ChEBML_1137	Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain
50036167	5	ChEMBL_1137 (CHEMBL616082)	Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain
50036168	1	ChEBML_147186	Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations
50036168	2	ChEBML_221945	Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations
50005625	6	ChEMBL_155976 (CHEMBL762029)	Inhibition of cGMP-inhibited PDE 3 from porcine aorta
50005880	8	ChEMBL_62707 (CHEMBL675800)	Binding towards Dopamine receptor D2 using [3H]spiperone from rat striatal membrane
50005625	5	ChEMBL_155838 (CHEMBL768657)	Inhibition of cGMP stimulated-PDE 2 from porcine aorta
50005880	1	ChEMBL_59485 (CHEMBL670137)	Evaluated for binding towards Dopamine receptor D2 using [3H]-spiperone as radioligand, in cloned mammalian receptors expressed in CHO-K1 cells
50005880	7	ChEMBL_59483 (CHEMBL671588)	Evaluated for binding towards Dopamine receptor D2 using [3H]N-0437 as radioligand from rat striatal membrane
50005880	6	ChEBML_62708	Evaluated for binding towards dopamine D2-receptor using [3H]N-0437 as radioligand from rat striatal membrane
50005880	12	ChEMBL_62933 (CHEMBL673838)	Binding towards Dopamine receptor D3 expressed in CHO-K1 cells using [3H]spiperone 
50005880	11	ChEBML_62933	Binding towards Dopamine receptor D3 expressed in CHO-K1 cells using [3H]spiperone 
50005880	13	ChEMBL_60996 (CHEMBL872785)	Binding towards dopamine receptor D4 expressed in CHO-K1 cells using [3H]spiperone 
50005626	2	ChEMBL_70048 (CHEMBL681448)	Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor
50005626	1	ChEMBL_156510 (CHEMBL765141)	Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor
50005627	10	ChEMBL_208860 (CHEMBL810934)	In vitro activity against thrombin with 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA)
50005627	6	ChEMBL_155412 (CHEMBL766114)	In vitro activity against plasmid was determined
50005627	5	ChEMBL_48971 (CHEMBL663501)	In vitro activity against Factor Xa was determined
50005880	14	ChEMBL_59484 (CHEMBL879870)	Binding towards Dopamine receptor D2 expressed in CHO-K1 cells using [3H]U-86170
50005627	3	ChEMBL_208859 (CHEMBL810933)	In vitro activity against thrombin was determined
50005627	8	ChEMBL_155413 (CHEMBL766115)	In vitro activity against plasmin was determined
50005627	9	ChEMBL_208861 (CHEMBL810935)	In vitro activity against thrombin was determined, using a 10 uM substrate s-2238 (D-Phe-Pip-Arg-pNA); 20-30
50005627	4	ChEMBL_48970 (CHEMBL663500)	In vitro activity against Factor Xa was determined
50005627	1	ChEMBL_213038 (CHEMBL816976)	In vitro activity against trypsin was determined
50005880	15	ChEMBL_201887 (CHEMBL809042)	Binding effinity for sigma receptor using 2 nM of [3H]DTG as radioligand, in membranes from brain minus cerebellum
50005880	2	ChEBML_201887	Binding effinity for sigma receptor using 2 nM of [3H]DTG as radioligand, in membranes from brain minus cerebellum
50036169	1	ChEMBL_141769 (CHEMBL748486)	Evaluated for the binding affinity against NK1 receptor
50036169	3	ChEMBL_141770 (CHEMBL882173)	Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig
50036169	4	ChEBML_141788	Evaluated for the binding affinity against NK2 receptor
50005882	3	ChEBML_36929	Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-Ang II without BSA
50005893	1	ChEBML_28188	In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase using intestinal microsomes isolated from cholesterol fed rabbits
50005629	47	ChEMBL_154725 (CHEMBL763109)	Inhibition of isolated human PDGF receptor phosphorylation
50005629	2	ChEMBL_63758 (CHEMBL679946)	Concentration required to inhibit phosphorylation of isolated human epidermal growth factor tyrosine kinase receptor by 50%
50005629	12	ChEMBL_154754 (CHEMBL760988)	Inhibition of human PDGF receptor phosphorylation; 0.2-0.4
50005629	26	ChEMBL_154741 (CHEMBL763806)	Inhibition of human PDGF receptor phosphorylation; 0.035-0.06
50005629	42	ChEMBL_152437 (CHEMBL760631)	Inhibition of human PDGF receptor phosphorylation; 20-30
50005629	48	ChEMBL_154726 (CHEMBL763110)	Inhibition of human PDGF receptor phosphorylation; 0.001-0.005
50005629	5	ChEMBL_154757 (CHEMBL760991)	Inhibition of human PDGF receptor phosphorylation; 0.3-0.5
50005629	14	ChEMBL_152428 (CHEMBL763775)	Concentration required to inhibit phosphorylation of isolated human PDGF receptor by 50%; 0.3-1
50005629	36	ChEMBL_154745 (CHEMBL763810)	Inhibition of human PDGF receptor phosphorylation; 0.07-0.15
50005629	41	ChEMBL_154747 (CHEMBL763812)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.2
50005629	21	ChEMBL_154738 (CHEMBL763803)	Inhibition of human PDGF receptor phosphorylation; 0.02-0.08
50005629	25	ChEMBL_154740 (CHEMBL763805)	Inhibition of human PDGF receptor phosphorylation; 0.03-0.1
50005629	16	ChEMBL_154735 (CHEMBL763800)	Inhibition of human PDGF receptor phosphorylation; 0.02-0.03
50005629	15	ChEMBL_154734 (CHEMBL763118)	Inhibition of human PDGF receptor phosphorylation; 0.015-0.03
50005629	10	ChEMBL_154755 (CHEMBL760989)	Inhibition of human PDGF receptor phosphorylation; 0.2-0.6
50005629	17	ChEMBL_154752 (CHEMBL763817)	Inhibition of human PDGF receptor phosphorylation; 0.15-0.5
50005629	30	ChEMBL_152433 (CHEMBL763780)	Inhibition of human PDGF receptor phosphorylation; 1-7
50005629	33	ChEMBL_154744 (CHEMBL763809)	Inhibition of human PDGF receptor phosphorylation; 0.05-0.07
50005629	8	ChEMBL_154731 (CHEMBL763115)	Inhibition of human PDGF receptor phosphorylation; 0.007-0.03
50005629	18	ChEMBL_152429 (CHEMBL763776)	Inhibition of human PDGF receptor phosphorylation; 0.5-2
50005629	27	ChEMBL_152431 (CHEMBL763778)	Inhibition of human PDGF receptor phosphorylation; 0.7-5
50005629	31	ChEMBL_154743 (CHEMBL763808)	Inhibition of human PDGF receptor phosphorylation; 0.04-0.08
50005629	4	ChEMBL_154733 (CHEMBL763117)	Inhibition of human PDGF receptor phosphorylation; 0.015-0.025
50005629	6	ChEMBL_154730 (CHEMBL763114)	Inhibition of human PDGF receptor phosphorylation; 0.004-0.025
50005629	35	ChEMBL_152435 (CHEMBL763782)	Inhibition of human PDGF receptor phosphorylation; 2-4
50005629	44	ChEMBL_154748 (CHEMBL763813)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.25
50005629	13	ChEMBL_154753 (CHEMBL760987)	Inhibition of human PDGF receptor phosphorylation; 0.2-0.25
50005629	43	ChEMBL_152438 (CHEMBL761263)	Inhibition of human PDGF receptor phosphorylation; 6-10
50005629	1	ChEMBL_152440 (CHEMBL761265)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.6
50005629	46	ChEMBL_152439 (CHEMBL761264)	Inhibition of human PDGF receptor phosphorylation; 0.01-0.02
50005629	20	ChEMBL_154750 (CHEMBL763815)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.5
50005629	40	ChEMBL_154729 (CHEMBL763113)	Inhibition of human PDGF receptor phosphorylation; 0.003-0.005
50005629	7	ChEMBL_154756 (CHEMBL760990)	Inhibition of human PDGF receptor phosphorylation; 0.2-0.8
50005629	45	ChEMBL_154749 (CHEMBL763814)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.4
50005629	24	ChEMBL_152430 (CHEMBL763777)	Inhibition of human PDGF receptor phosphorylation; 0.5-3
50005629	39	ChEMBL_154746 (CHEMBL763811)	Inhibition of human PDGF receptor phosphorylation; 0.09-0.2
50005629	29	ChEMBL_152432 (CHEMBL763779)	Inhibition of human PDGF receptor phosphorylation; 1-2
50005629	11	ChEMBL_154737 (CHEMBL763802)	Inhibition of human PDGF receptor phosphorylation; 0.02-0.05
50005629	34	ChEMBL_154727 (CHEMBL763111)	Inhibition of human PDGF receptor phosphorylation; 0.001-0.015
50005629	28	ChEMBL_154742 (CHEMBL763807)	Inhibition of human PDGF receptor phosphorylation; 0.04-0.07
50005629	19	ChEMBL_154751 (CHEMBL763816)	Inhibition of human PDGF receptor phosphorylation; 0.1-0.8
50005629	32	ChEMBL_152434 (CHEMBL763781)	Inhibition of human PDGF receptor phosphorylation; 2-10
50005629	9	ChEMBL_154736 (CHEMBL763801)	Inhibition of human PDGF receptor phosphorylation; 0.02-0.04
50005629	22	ChEMBL_154739 (CHEMBL763804)	Inhibition of human PDGF receptor phosphorylation; 0.025-0.03
50005629	38	ChEMBL_154728 (CHEMBL763112)	Inhibition of human PDGF receptor phosphorylation; 0.002-0.06
50005629	37	ChEMBL_152436 (CHEMBL763783)	Inhibition of human PDGF receptor phosphorylation; 2-8
50005629	3	ChEMBL_154732 (CHEMBL763116)	Inhibition of human PDGF receptor phosphorylation; 0.008-0.07
50005637	1	ChEMBL_51033 (CHEMBL662246)	Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot
50036173	2	ChEBML_62228	Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone
50036173	1	ChEMBL_62226 (CHEMBL670700)	Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by ([3H]N00437) as radioligand
50036173	7	ChEMBL_62228 (CHEMBL882499)	Binding affinity against dopamine receptor D2 in rat brain tissue using [3H]spiperone
50036174	1	ChEBML_61756	Tested in vitro for inhibition of [3H]spiperone binding to dopamine receptor D2
50005907	4	ChEBML_55092	Inhibitory concentration against Lactobacillus casei
50005907	5	ChEMBL_55093 (CHEMBL665354)	Inhibitory concentration against Lactobacillus casei dihydrofolate reductase
50005907	3	ChEMBL_52835 (CHEMBL665041)	Inhibitory concentration against Pneumocystis carinii dihydrofolate reductases (DHFR)
50005907	6	ChEMBL_53313 (CHEMBL665697)	Inhibitory concentration against Toxoplasma gondii dihydrofolate reductases (DHFR)
50005912	3	ChEBML_43855	Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0
50005645	4	ChEMBL_147190 (CHEMBL759363)	Tested for binding affinity towards delta receptor in rat brain homogenates using [3H]D-Ala2-D-Leu3-enkephalin as radioligand
50005912	2	ChEMBL_43855 (CHEMBL658516)	Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0
50036177	1	ChEBML_1328	Binding affinity for 5-hydroxytryptamine 1A receptor by use of [3H]8-OH-DPAT in male rat
50036178	4	ChEMBL_98894 (CHEMBL703402)	Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex.
50036178	3	ChEMBL_98896 (CHEMBL709388)	Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart.
50036178	7	ChEMBL_98898 (CHEMBL709390)	Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat heart.
50036178	1	ChEBML_98896	Binding affinity at [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart.
50036178	5	ChEMBL_98897 (CHEMBL709389)	Binding affinity at [3H]QNB radiolabeled muscarinic M2 receptor in rat cortex.
50005647	1	ChEMBL_29232 (CHEMBL641566)	Inhibition of acetylcholinesterase (AChE)
50005650	1	ChEMBL_202727 (CHEMBL809055)	Inhibitory activity against rat GABA transporter-2 (rGAT2)
50005650	4	ChEMBL_69617 (CHEMBL679557)	Inhibitory activity against human sodium and chloride dependent GABA transporter 3
50005650	3	ChEMBL_202583 (CHEMBL806333)	Inhibitory activity against human GABA transporter-1 (hGAT1)
50005650	2	ChEMBL_202584 (CHEMBL806334)	Inhibition of human GABA transporter (hBGT-1) activity.
50005651	1	ChEMBL_80479 (CHEMBL692727)	Tested for its inhibitory activity against HMG-CoA reductase transcription in HepG2 cells
50036178	6	ChEMBL_98895 (CHEMBL703403)	Tested for binding affinity to [3H]QNB and GppNHp radiolabeled muscarinic M2 receptor in rat heart
50036179	2	ChEMBL_62143 (CHEMBL675899)	Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.
50036179	1	ChEBML_62143	Inhibition of [3H]WIN-35428 binding to dopamine transporter in rat striatal membranes.
50005921	1	ChEMBL_101350 (CHEMBL712608)	In vitro inhibitory activity against 5-lipoxygenase by reduction of LTB4 formed in guinea pig polymorphonuclear leukocytes (PMNs).
50005921	7	ChEBML_101349	In vitro inhibitory activity against 5-lipoxygenase by reduction of 5-hydroxyeicosatetraenoic acid (5-HETE) formed in guinea pig polymorphonuclear leukocytes (PMNs).
50005921	13	ChEMBL_101349 (CHEMBL712607)	In vitro inhibitory activity against 5-lipoxygenase by reduction of 5-hydroxyeicosatetraenoic acid (5-HETE) formed in guinea pig polymorphonuclear leukocytes (PMNs).
50005921	12	ChEMBL_158429 (CHEMBL763070)	Inhibitory concentration against sheep seminal vesicle Prostaglandin G/H synthase
50005921	6	ChEMBL_3979 (CHEMBL619252)	Inhibitory concentration against human platelet 5-lipoxygenase in dog whole blood
50005921	11	ChEMBL_158444 (CHEMBL763248)	Inhibitory concentration against sheep seminal vesicle Prostaglandin G/H synthase
50005921	2	ChEMBL_101351 (CHEMBL877238)	In vitro inhibitory activity against 5-Lipoxygenase was measured by reduction of (LTB-4) formed in guinea pig polymorphonuclear leukocytes (PMN's)
50005922	1	ChEBML_36933	Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar Ile-AII at the rabbit aorta Angiotensin II receptor, type 1
50005924	3	ChEMBL_208400 (CHEMBL815509)	Apparent Ki value was measured by competitive inhibition of Thymidylate Synthase from L1210 cells of mouse
50005924	1	ChEMBL_208402 (CHEMBL815511)	Apparent Ki value was measured by competitive inhibition of Thymidylate Synthases from L1210 cells of mouse
50005928	1	ChEBML_78176	Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR)
50036181	2	ChEBML_222074	Inhibitory concentration against mu-opioid receptor in guinea pig ileum
50005934	49	ChEMBL_3003 (CHEMBL619793)	Displacement of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes
50005934	47	ChEMBL_3009 (CHEMBL620450)	The binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as radioligand.
50005934	34	ChEBML_88909	The binding affinity was measured on imidazoline I2 receptor using [3H]- indazoxan as radioligand.
50005934	48	ChEMBL_3525 (CHEMBL619195)	The binding affinity was measured on 5-hydroxytryptamine receptor uptake receptor using [3H]- paroxetine as radioligand.
50005934	50	ChEMBL_219281 (CHEMBL821874)	The binding affinity was measured on glycine receptor using [3H]- strychnine as radioligand.
50005934	46	ChEMBL_2405 (CHEMBL617683)	The binding affinity was measured on 5-hydroxytryptamine 2 receptor using [3H]- spiperone as radioligand.
50036183	1	ChEBML_62882	Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue
50036183	4	ChEBML_61346	In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus
50036184	6	ChEBML_29296	Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in guinea pig forebrain membranes under usual light
50036184	8	ChEMBL_31027 (CHEMBL638316)	Binding affinity against Adenosine A2 receptor of striatal membrane using [3H]CGS-21680
50036184	7	ChEMBL_29139 (CHEMBL637560)	Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes
50005940	1	ChEBML_34644	Displacement of [1251][Sar1,IIe8]AII from rabbit aorta Angiotensin II receptor, type 1
50005942	8	ChEMBL_147043 (CHEMBL753270)	Binding affinity was determined on delta [3H]DPDPE site in rat brain synaptosomes by radioreceptor assay
50036186	2	ChEBML_217516	Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.
50005654	1	ChEMBL_36643 (CHEMBL652353)	Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) receptor
50005654	2	ChEMBL_36770 (CHEMBL650293)	In vitro binding affinity against angiotensin-2 (AT-2) receptor in rat adrenal
50036187	2	ChEBML_162036	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4
50036187	5	ChEMBL_162205 (CHEMBL767214)	Binding affinity against phosphate binding site of Purine nucleoside Phosphorylase
50036187	10	ChEMBL_162036 (CHEMBL766676)	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4
50036187	1	ChEMBL_162039 (CHEMBL766679)	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4
50036187	8	ChEMBL_162204 (CHEMBL766547)	Binding affinity against hydrophobic pocket of Purine nucleoside Phosphorylase
50036187	4	ChEMBL_162206 (CHEMBL767215)	Binding affinity against purine binding site of Purine nucleoside Phosphorylase
50005947	3	ChEBML_217263	Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells
50005947	4	ChEMBL_217257 (CHEMBL824194)	Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells
50005947	2	ChEBML_217257	Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells
50005948	1	ChEMBL_196281 (CHEMBL806635)	Inhibitory concentration against renin monkey plasma
50036188	1	ChEBML_144597	Inhibition of NEP 24.11 from rat kidney
50005950	2	ChEMBL_34916 (CHEMBL648452)	Tested in vitro for the inhibition of angiotensin converting enzyme from rabbit lung
50005950	4	ChEMBL_34915 (CHEMBL648451)	Tested in vitro for the inhibition against angiotensin converting enzyme (ACE) from rabbit lung
50005950	5	ChEMBL_144611 (CHEMBL750539)	Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney
50005954	1	ChEBML_223465	Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna
50036189	9	ChEMBL_195410 (CHEMBL803340)	Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase
50036189	16	ChEMBL_195411 (CHEMBL803341)	Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase
50036189	6	ChEMBL_195539 (CHEMBL800986)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 8-20
50036190	4	ChEBML_30208	Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes
50005965	1	ChEMBL_99841 (CHEMBL706760)	Tested for inhibition of specific binding of [3H]LTB4 to human neutrophil expressing LTB4 receptor
50005965	3	ChEMBL_144780 (CHEMBL751445)	Inhibition of LTB4-induced up-regulation of human neutrophil CD11b/CD18 integrin
50005965	2	ChEBML_99495	Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor
50005966	4	ChEMBL_34809 (CHEMBL644585)	Binding affinity towards Angiotensin II receptor, type 1 in rat isolated adrenal cortical microsomes
50005967	6	ChEBML_211079	Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue
50005967	5	ChEBML_145031	Tested against rat uterine OT receptor
50005967	7	ChEMBL_145030 (CHEMBL753724)	Inhibition of radioligand [3H]oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue
50005967	2	ChEBML_211254	Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue
50005971	3	ChEMBL_49500 (CHEMBL662795)	Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase without beta-mercaptoethanol
50005971	1	ChEMBL_49498 (CHEMBL662793)	Inhibition of radiolabeled rat skin type I collagen degradation by purified human lung fibroblast collagenase.
50005658	1	ChEMBL_99656 (CHEMBL704422)	Inhibition of [3H]Leukotriene B4 binding to human PMN
50005971	2	ChEMBL_49499 (CHEMBL662794)	Inhibition of rat skin type I collagen degradation by purified human lung fibroblast collagenase
50005974	4	ChEMBL_207787 (CHEMBL809680)	Tested in vitro against TXA2 synthetase inhibitory activity in human platelet
50005661	3	ChEMBL_34914 (CHEMBL648450)	Tested in vitro for its inhibitory activity against neutral endopeptidase (NEP)
50005974	1	ChEMBL_207794 (CHEMBL880941)	Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood
50005974	5	ChEMBL_207786 (CHEMBL809679)	Tested in vitro against TXA2 synthetase inhibitory activity in human microsome
50005974	3	ChEMBL_207788 (CHEMBL809681)	Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood
50005974	2	ChEMBL_207793 (CHEMBL809686)	Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet
50036191	3	ChEMBL_62175 (CHEMBL672114)	Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes
50036191	1	ChEMBL_62178 (CHEMBL672117)	Tested for radioligand [3H]cocaine displacement from dopamine transporter in rat forebrain
50036191	2	ChEMBL_62177 (CHEMBL672116)	Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain
50036192	2	ChEMBL_65811 (CHEMBL872385)	Tested for the competitive binding versus [125I]- ET-1 determined in porcine cardiac ventricular membrane for Endothelin A receptor
50013661	1	ChEMBL_196895 (CHEMBL806514)	In vitro transcriptional activation in CV-1 cells expressing RXR-alpha
50013661	6	ChEMBL_196892 (CHEMBL807544)	In vitro transcriptional activation in CV-1 cells expressing RXR-alpha
50037056	1	ChEMBL_63814 (CHEMBL676203)	The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay
50037632	2	ChEMBL_325888 (CHEMBL863245)	Antagonistic activity at rat CCR1 in CHO-K1 cells
50037632	1	ChEMBL_325887 (CHEMBL863244)	Antagonistic activity at human CCR1 in CHO-K1 cells
50037632	3	ChEMBL_325895 (CHEMBL863253)	Inhibitory effect on transwell chemotaxis induced by 1 nM MIP-1alpha in mouse pre-B cells transfected with human CCR1
50036194	2	ChEMBL_195527 (CHEMBL800594)	Inhibitory concentration against HIV-1 reverse transcriptase mutant (Tyr-181 to Cys)
50036194	3	ChEMBL_195528 (CHEMBL800595)	Inhibitory concentration against HIV-1 reverse transcriptase mutant (Tyr-181 to Leu)
50041210	1	ChEMBL_158033 (CHEMBL768257)	Inhibitory potency against HIV-1 protease
50005985	9	ChEMBL_52838 (CHEMBL665043)	Tested for inhibition against Pneumocystis carinii DHFR (dihydrofolate reductase)
50005985	4	ChEMBL_52837 (CHEMBL665042)	Tested for inhibition against Dihydrofolate reductase from Pneumocystis carinii
50005985	1	ChEMBL_54605 (CHEMBL667327)	Inhibitory activity of Dihydrofolate reductase in L1210 cells
50005985	7	ChEMBL_53310 (CHEMBL665694)	Inhibition against Toxoplasma gondii Dihydrofolate reductase
50005985	3	ChEMBL_52831 (CHEMBL665037)	Inhibition against Pneumocystis carinii Dihydrofolate reductase
50005993	2	ChEMBL_36939 (CHEMBL650274)	In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.
50005669	1	ChEMBL_213554 (CHEMBL816914)	In vitro binding affinity to vesamicol receptor using [3H]vesamicol.
50005994	1	ChEMBL_36940 (CHEMBL648843)	In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.
50005675	6	ChEMBL_152446 (CHEMBL761271)	Inhibition of Platelet-derived growth factor receptor tyrosine kinase
50005675	3	ChEMBL_216271 (CHEMBL819878)	Inhibition of erbB2 receptor
50005675	7	ChEMBL_151531 (CHEMBL762244)	Inhibition of p56 lck kinase
50005675	1	ChEMBL_63610 (CHEMBL676154)	Inhibition of Epidermal growth factor receptor tyrosine kinase
50005675	4	ChEMBL_29498 (CHEMBL641999)	Inhibition of PDGF-stimulated autophosphorylation of PDGF-receptor
50005678	1	ChEMBL_58512 (CHEMBL672007)	Affinity was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand
50005678	6	ChEMBL_61349 (CHEMBL673252)	Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor
50005678	8	ChEMBL_3236 (CHEMBL618922)	Affinity was evaluated by inhibition of [3H]GR-65630 binding to NG108-15 cell transfected with cloned rat 5-hydroxytryptamine 3 receptor
50005678	5	ChEMBL_2817 (CHEMBL617846)	Affinity was evaluated by inhibition of [125I]LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C receptor
50005678	11	ChEMBL_2610 (CHEMBL617478)	Affinity was evaluated by inhibition of [125I]LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor
50036195	2	ChEMBL_50185 (CHEMBL662400)	Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue
50005678	10	ChEMBL_61344 (CHEMBL675960)	Affinity was evaluated by inhibition of [3H]spiperone binding to COS cells transfected with human dopamine D-2(long) receptor
50005678	3	ChEMBL_3235 (CHEMBL618921)	Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 3 receptor
50036195	1	ChEMBL_47960 (CHEMBL656248)	Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor
50005679	6	ChEMBL_29601 (CHEMBL640259)	Binding of [3H]-CPX to A1 adenosine receptor of DDT1 MF-2 (DDT) cells
50005680	3	ChEMBL_49497 (CHEMBL662792)	Inhibition of bacterial collagenase from corynebacterium rathaii
50005680	1	ChEMBL_49495 (CHEMBL662790)	Binding constant containing a pseudophenylalanine residue
50005998	8	ChEMBL_71653 (CHEMBL687543)	Inhibition of rabbit fibroblast gelatinase A
50005998	1	ChEMBL_205628 (CHEMBL812387)	Inhibition of rabbit fibroblast stromelysin
50005998	4	ChEMBL_71661 (CHEMBL687551)	Inhibition of rabbit fibroblast gelatinase B
50005998	5	ChEMBL_49515 (CHEMBL660239)	Inhibition of human fibroblast collagenase at pH 6.5
50005681	3	ChEMBL_28150 (CHEMBL644105)	Evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes
50005998	2	ChEMBL_205627 (CHEMBL812386)	Inhibition of human fibroblast stromelysin
50005998	6	ChEMBL_71658 (CHEMBL687548)	Inhibition of human fibroblast gelatinase B
50005998	3	ChEMBL_205501 (CHEMBL810393)	Inhibition of human fibroblast stromelysin
50006000	4	ChEMBL_62746 (CHEMBL674587)	Binding affinity was tested against dopamine receptor D3 in rat striatal membrane homogenate
50005681	2	ChEMBL_28151 (CHEMBL644106)	Compound was evaluated for the in vitro inhibition of the Acetylcholinesterase (AChE) from human erythrocytes,
50006233	5	ChEMBL_208045 (CHEMBL872635)	Compound was tested in vitro for inhibitory activity against t-PA (tissue plasminogen activator)
50006233	3	ChEMBL_155411 (CHEMBL766113)	Inhibitory activity against plasmin
50006233	4	ChEMBL_208855 (CHEMBL816690)	Inhibitory activity against thrombin
50006233	1	ChEMBL_213037 (CHEMBL816975)	Inhibitory activity against trypsin
50006233	2	ChEMBL_48968 (CHEMBL661679)	Inhibitory activity against factor Xa
50006235	4	ChEMBL_201717 (CHEMBL803754)	Binding affinity against sigma sites in guinea pig membrane using [3H](+)-3-PPP as the radioligand
50006235	5	ChEMBL_62563 (CHEMBL671494)	Binding affinity against D2 receptor in rat corpus striatum using [3H]sulpiride as the radioligand
50006235	6	ChEMBL_201718 (CHEMBL803916)	Binding affinity against sigma sites in guinea pig membrane using [3H]DTG as the radioligand
50006235	2	ChEMBL_201722 (CHEMBL803920)	compound was tested for binding affinity against sigma sites in guinea pig membrane using [3H]- DTG as the radioligand
50006239	2	ChEMBL_78491 (CHEMBL687160)	Inhibition of HMG-coA Reductase enzyme in chinese hamster ovary cells
50006239	3	ChEMBL_147857 (CHEMBL754769)	Inhibition rat liver microsome cytochrome P450DM
50006239	4	ChEMBL_78492 (CHEMBL687161)	Inhibition of HMG-coA Reductase enzyme in AR45 cells
50006239	1	ChEMBL_147858 (CHEMBL754770)	Inhibition rat liver microsome cytochrome P450DM
50005709	1	ChEMBL_83929 (CHEMBL693694)	Inhibition of the specific binding of [3H]pyrilamine to guinea pig cerebellum histamine H1 receptor
50006264	1	ChEMBL_161963 (CHEMBL769387)	Ability to inhibit autophosphorylation of immunopurified p56Ick
50006266	1	ChEMBL_42744 (CHEMBL656260)	Inhibition of (-)-[3H]- D-888 binding to L-type calcium channels in kitten heart ventricle membranes
50006267	2	ChEMBL_99763 (CHEMBL857621)	Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)
50006267	1	ChEMBL_99762 (CHEMBL715302)	Kinetic constant (KI) was calculated by inhibition of monoamino oxidase B (MAO B)
50006269	5	ChEMBL_192723 (CHEMBL801750)	In vitro inhibitory concentration against monkey plasma renin at pH 7.4
50006269	2	ChEMBL_192894 (CHEMBL795933)	In vitro inhibitory concentration against dog plasma renin at pH 7.4
50006269	3	ChEMBL_195790 (CHEMBL801711)	In vitro inhibitory concentration against human plasma renin at pH 7.4
50036198	2	ChEMBL_195960 (CHEMBL806854)	In vitro inhibition of partially purified human renin at pH 6.0.
50036198	3	ChEMBL_44982 (CHEMBL660143)	Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.
50036198	1	ChEMBL_64347 (CHEMBL676078)	Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.
50036199	2	ChEMBL_48257 (CHEMBL662868)	Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex
50036199	1	ChEMBL_50061 (CHEMBL662430)	Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.
50036200	1	ChEMBL_226569 (CHEMBL848647)	Binding affinity was evaluated against sigma-1 binding site in guinea pig, using [3H]- -(+)- Pentazocine
50006117	1	ChEMBL_145887 (CHEMBL754253)	In vitro inhibitory activity against delta opioid receptor using mouse vas deferens (MVD) assay
50006117	2	ChEMBL_221917 (CHEMBL842482)	In vitro inhibitory activity against mu opioid receptor using guinea pig ileum (GPI) assay
50006246	5	ChEMBL_208946 (CHEMBL814565)	Inhibition of purified Escherichia coli Thymidylate synthase
50006246	4	ChEMBL_208945 (CHEMBL814564)	Inhibition of purified Escherichia coli Thymidylate synthase
50006246	1	ChEMBL_219324 (CHEMBL823517)	Inhibition of human Thymidylate synthase
50006246	2	ChEMBL_219323 (CHEMBL823516)	Inhibition of human Thymidylate synthase
50005711	4	ChEMBL_223427 (CHEMBL845230)	Inhibition of [3H]U-69593 binding to kappa opioid receptor of guinea pig brain homogenate
50005711	6	ChEMBL_223430 (CHEMBL845233)	Inhibition of mu-selective antagonist binding to opioid receptor of guinea pig ileum
50005711	2	ChEMBL_223426 (CHEMBL844036)	Inhibition of [3H]PL-17 binding to mu opioid receptor of guinea pig brain homogenate
50005711	1	ChEMBL_223425 (CHEMBL844035)	Inhibition of [3H]DPDPE binding to delta opioid receptor of guinea pig brain homogenate
50005711	7	ChEMBL_223429 (CHEMBL845232)	Inhibition of [3H]U-69593 binding to kappa opioid receptor of guinea pig brain homogenate
50005711	5	ChEMBL_223428 (CHEMBL845231)	Inhibition of [3H]DPDPE binding to delta opioid receptor of guinea pig brain homogenate
50005683	2	ChEMBL_1450 (CHEMBL616574)	Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]8-OH-DPAT
50036205	2	ChEMBL_98922 (CHEMBL708731)	Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate
50036205	3	ChEMBL_101212 (CHEMBL714427)	Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate
50036205	1	ChEMBL_98750 (CHEMBL704479)	Ability to displace [3H](-)-quinuclidinyl benzilate(QNB) from M2 receptor in rat heart homogenate
50036206	1	ChEMBL_61352 (CHEMBL673254)	Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum
50036206	2	ChEMBL_226363 (CHEMBL847531)	Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum
50036208	1	ChEMBL_153326 (CHEMBL760478)	Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes
50005714	19	ChEMBL_62553 (CHEMBL674065)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in rat striatum
50005714	8	ChEMBL_62550 (CHEMBL674062)	Binding affinity against [3H]raclopride-labeled dopamine receptor D2 in rat striatum.
50005714	17	ChEMBL_63031 (CHEMBL678334)	Inhibition concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum was estimated by single point experiment. compound was run at 1 uM
50005714	5	ChEMBL_61293 (CHEMBL672485)	Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells
50005714	11	ChEMBL_61609 (CHEMBL672906)	Inhibitory concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum
50005714	9	ChEMBL_578 (CHEMBL615448)	Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus
50005714	2	ChEMBL_580 (CHEMBL615450)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50005714	1	ChEMBL_1572 (CHEMBL616562)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50005714	18	ChEMBL_562 (CHEMBL615582)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus
50005714	13	ChEMBL_62552 (CHEMBL674064)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells
50005714	16	ChEMBL_61296 (CHEMBL672488)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in rat striatum
50036209	2	ChEMBL_62551 (CHEMBL674063)	Binding affinity for [3H]raclopride-labeled dopamine receptor D2 in rat striatum
50036209	3	ChEMBL_61294 (CHEMBL672486)	Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells
50036209	10	ChEMBL_1573 (CHEMBL616563)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50036209	1	ChEMBL_579 (CHEMBL615449)	Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus
50005688	2	ChEMBL_36763 (CHEMBL651250)	In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor using radioligand [125I]-Sar Ile-AII
50036209	4	ChEMBL_61610 (CHEMBL672907)	Inhibitory concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum
50036210	5	ChEMBL_155050 (CHEMBL764369)	Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate
50005716	1	ChEMBL_147052 (CHEMBL753279)	Compound was tested for binding affinity towards delta-opioid receptor in rat forebrain membrane using [3H]DPDPE
50036222	2	ChEMBL_138881 (CHEMBL747873)	Binding affinity towards mu opioid receptor was determined in rat brain using [3H]CTOP as radioligand
50006019	2	ChEMBL_209590 (CHEMBL814725)	Displacement of the high affinity radiolabeled ligand [3H]- SQ-29548 from the PGH-2/TXA-2 receptor in human gel-filtered platelets.
50044019	5	ChEMBL_154037 (CHEMBL757606)	The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor delta
50044019	6	ChEMBL_153694 (CHEMBL757746)	Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against human Peroxisome proliferator activated receptor alpha using transfection assay in CV-1 cells
50044019	4	ChEMBL_153702 (CHEMBL759328)	The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alpha
50044019	8	ChEMBL_154528 (CHEMBL760249)	Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity assay (SPA)
50044019	7	ChEMBL_154535 (CHEMBL857024)	Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome proliferator activated receptor gamma using transfection assay in CV-1 cells
50005689	1	ChEMBL_2030 (CHEMBL616864)	Binding affinity was measured on 5-hydroxytryptamine 1D receptor beta in CHO cells transfected with human 5-HT1D beta gene labeled with [3H]5-HT
50005689	4	ChEMBL_2011 (CHEMBL617306)	Binding affinity was measured on 5-hydroxytryptamine 1D receptor alpha in COS cells transfected with human 5-HT1D alpha gene labeled with [3H]5-HT
50005689	2	ChEMBL_930 (CHEMBL615778)	Binding affinity was measured on 5-hydroxytryptamine 1A receptor in AK cells transfected with human 5-HT1A gene labeled with [3H]-8-OH-DPAT
50005689	3	ChEMBL_1799 (CHEMBL616772)	Binding affinity was measured on 5-hydroxytryptamine 1B receptor in rat striatum labeled with [3H]5-HT
50005689	7	ChEMBL_2302 (CHEMBL617087)	Binding affinity was measured on 5-hydroxytryptamine 2A receptor in GF6 cells transfected with human 5-HT2A gene labeled with [3H]ketanserin
50005689	6	ChEMBL_2979 (CHEMBL620626)	Binding affinity was measured on 5-hydroxytryptamine 3 receptor in NG-108 cells labeled with [3H]GR-65630
50005689	5	ChEMBL_2830 (CHEMBL621516)	Binding affinity was measured on 5-hydroxytryptamine 2C receptor in J1 cells transfected with rat 5-HT2C gene labeled with [3H]mesulergine
50029632	8	ChEMBL_102096 (CHEMBL710333)	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)
50029632	9	ChEMBL_102098 (CHEMBL710335)	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)
50029632	7	ChEMBL_102111 (CHEMBL710488)	Inhibition of human neutrophil collagenase, matrix metalloprotease-8
50029632	3	ChEBML_102111	Inhibition of human neutrophil collagenase, matrix metalloprotease-8
50029633	3	ChEBML_105200	Inhibition of human Matrix metalloprotease-8
50029849	1	ChEBML_208891	Binding affinity to human thrombin.
50034874	1	ChEBML_34551	Compound was tested for inhibitory activity against alpha-glucosidase.
50044021	1	ChEMBL_62456 (CHEMBL679228)	Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
50044021	2	ChEMBL_60390 (CHEMBL672226)	Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50044021	3	ChEMBL_1578 (CHEMBL857975)	Ability to displace [125I]iodosulpiride from 5-hydroxytryptamine 1A receptor
50030003	2	ChEBML_104882	Inhibition of Matrix metalloprotease-3 (MMP-3)
50030003	1	ChEBML_106441	Inhibition of Matrix metalloprotease-1 (MMP-1)
50030003	3	ChEBML_104565	Inhibition of Matrix metalloprotease-2 (MMP-2)
50030085	4	ChEMBL_65630 (CHEMBL681513)	Binding affinity for human Endothelin A receptor expressed in LtK- cells
50034939	1	ChEBML_143632	Inhibitory activity against NS3-4A pep protease
50034959	4	ChEBML_41403	Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec
50034959	5	ChEMBL_41404 (CHEMBL653524)	Tested for kinetic data for the horse serum Butyrylcholinesterase-Catalyzed Hydrolysis of Butyrylthiocholine; 10e-3/M. sec
50008892	3	ChEMBL_199522 (CHEMBL802496)	Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea
50010595	3	ChEBML_32965	In vitro activity against human alpha thrombin was determined
50010595	2	ChEMBL_32964 (CHEMBL644679)	In vitro activity against human alpha thrombin was determined
50010595	4	ChEBML_212852	In vitro activity against human alpha trypsin was determined
50005698	4	ChEMBL_43845 (CHEMBL658507)	Tested for inhibitory activity on bovine calpain 2 from heart
50010595	5	ChEMBL_212701 (CHEMBL820683)	In vitro activity against human alpha trypsin was determined
50010590	1	ChEBML_155417	Inhibitory activity against plasmin
50011530	1	ChEBML_104395	Binding affinity for human gelatinase A (MMP-2)
50005698	3	ChEMBL_43846 (CHEMBL658508)	Tested for inhibitory activity on bovine calpain II from heart
50012207	1	ChEBML_123920	Compound was evaluated for inhibition of Mono aminoxidase B in rat primary hepatocytes
50013346	2	ChEBML_209018	Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [125I]- NKA radioligand
50044022	1	ChEMBL_205901 (CHEMBL814485)	Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells
50005702	2	ChEMBL_27618 (CHEMBL639494)	Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane
50005702	1	ChEMBL_29109 (CHEMBL638721)	Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane
50005703	1	ChEBML_216051	Inhibition of [3H]dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes.
50005704	1	ChEBML_62557	Compound was evaluated for the inhibition constant against dopamine receptor D2 in rat
50005704	2	ChEMBL_62557 (CHEMBL671488)	Compound was evaluated for the inhibition constant against dopamine receptor D2 in rat
50042197	2	ChEBML_60934	Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2
50042201	1	ChEMBL_27466 (CHEMBL642476)	Evaluated for binding affinity against Adenosine A1 receptor
50044023	1	ChEMBL_3411 (CHEMBL620725)	Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine
50005711	3	ChEMBL_223435 (CHEMBL845237)	Inhibition of delta-selective antagonist binding to opioid receptor of mouse vas dferens
50044024	1	ChEMBL_158036 (CHEMBL768260)	Binding affinity to HIV-1 protease
50005712	1	ChEMBL_59311 (CHEMBL666964)	Competition in vitro with the dopamine receptor D2 antagonist [3H]spiperone, for binding sites on calf caudate membranes.
50005714	12	ChEMBL_576 (CHEMBL615446)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in bovine hippocampus
50005714	7	ChEMBL_61128 (CHEMBL670741)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled D2 sites in cloned CHO cells
50005714	15	ChEMBL_577 (CHEMBL615447)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in CHO cells
50005714	6	ChEMBL_61295 (CHEMBL672487)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells
50036602	2	ChEMBL_62897 (CHEMBL676136)	In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone
50009148	2	ChEMBL_146374 (CHEMBL754731)	Binding affinity for Opioid receptor kappa 1 determined by displacement of [3H]U-69593 from guinea pig brain membranes
50009148	1	ChEMBL_146907 (CHEMBL751120)	Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites
50009148	3	ChEMBL_148833 (CHEMBL753951)	Binding affinity for Opioid receptor mu 1 determined by displacing [3H]DAMGO from rat brain membrane binding sites
50036748	2	ChEMBL_146797 (CHEMBL756052)	Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U-69593 (1.2-2.2 nM) to guinea pig brain membranes
50036748	3	ChEMBL_149156 (CHEMBL757699)	Binding affinity for Opioid receptor mu 1 was determined by inhibition of binding of [3H]DAMGO (1.4-3 nM) to rat brain membranes
50036748	1	ChEMBL_147191 (CHEMBL759364)	Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]DADLE (1.3-2.0 nM) to rat brain membranes
50036748	7	ChEMBL_146319 (CHEMBL758109)	Antagonist potency measured as Ke = [antagonist]/(IC50 ratio-1) against delta opioid receptor from mouse vas deferens (MVD) using DPDPE
50036748	6	ChEMBL_146723 (CHEMBL753261)	The opioid antagonist potency against PL-107 mu-opioid receptor from guinea pig ileum(GPI).Ke (nM) = [antagonist]/(IC50 ratio-1)
50036764	2	ChEMBL_62650 (CHEMBL679185)	Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand
50036764	4	ChEMBL_62301 (CHEMBL675223)	Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand
50036764	3	ChEMBL_201594 (CHEMBL808284)	The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand
50036764	5	ChEMBL_143129 (CHEMBL744173)	The compound was tested for binding affinity nisoxatine ligand
50036764	1	ChEMBL_202138 (CHEMBL808127)	Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand
50036764	6	ChEMBL_202150 (CHEMBL808138)	Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand
50036764	8	ChEMBL_62784 (CHEMBL673935)	Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand
50036764	7	ChEMBL_143132 (CHEMBL744176)	The compound was tested for binding affinity nisoxatine ligand
50009299	1	ChEMBL_196053 (CHEMBL802885)	In vitro inhibitory activity against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution K103N
50009299	4	ChEMBL_196182 (CHEMBL801170)	In vitro inhibitory activity against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y181I
50009299	6	ChEMBL_196180 (CHEMBL804953)	In vitro inhibitory activity against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution L100I
50009299	2	ChEMBL_196184 (CHEMBL801172)	In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT)
50009299	5	ChEMBL_196181 (CHEMBL807530)	In vitro inhibitory activity against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution V106A
50009299	3	ChEMBL_196183 (CHEMBL801171)	In vitro inhibitory activity against HIV-1 mutant Reverse transcriptase containing the single amino acid substitution Y188L
50005725	4	ChEBML_58668	In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue
50005725	2	ChEBML_61301	In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.
50009354	6	ChEMBL_31989 (CHEMBL646437)	Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells
50009354	4	ChEMBL_31557 (CHEMBL644508)	Inhibitory concentration as antagonistic activity against cAMP generation inhibited by IB-MECA in CHO cell membranes transfected with human A3 receptor
50009354	1	ChEMBL_31558 (CHEMBL644509)	Inhibitory concentration as antagonistic activity against cAMP generation inhibited by IB-MECA in CHO cell membranes transfected with human Adenosine A3 receptor
50008554	13	ChEMBL_217445 (CHEMBL823344)	Inhibition of integrin alpha4-beta1 binding to VCAM-Ig
50036810	9	ChEMBL_142793 (CHEMBL872959)	Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter
50036810	4	ChEMBL_58966 (CHEMBL668632)	Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter
50036810	3	ChEMBL_201201 (CHEMBL883372)	Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter
50036810	5	ChEMBL_62487 (CHEMBL677379)	Inhibition of reuptake of [3H]DA at Dopamine transporter (DAT)
50036810	6	ChEMBL_142638 (CHEMBL746906)	Inhibition of reuptake of [3H]-NE at Norepinephrine transporter
50036810	2	ChEMBL_201973 (CHEMBL804975)	Inhibition of reuptake of [3H]5-HT at serotonin transporter
50036810	7	ChEMBL_201200 (CHEMBL802164)	Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter
50036810	8	ChEMBL_58965 (CHEMBL669522)	Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.
50036810	1	ChEMBL_142794 (CHEMBL752762)	Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter
50010000	15	ChEMBL_138416 (CHEMBL744920)	Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes
50010000	1	ChEMBL_139771 (CHEMBL747481)	Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane
50010000	4	ChEMBL_139125 (CHEMBL749863)	Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes
50010000	9	ChEMBL_139126 (CHEMBL749864)	Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M4 expressed in CHO cell membranes
50010000	3	ChEMBL_139770 (CHEMBL747480)	The binding affinity was measured as inhibition of binding of [3H]- oxotremorine-M m2 toMuscarinic acetylcholine receptor M2 in membranes of CHO cells
50010000	11	ChEMBL_139769 (CHEMBL747479)	Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membranes
50036835	3	ChEMBL_145508 (CHEMBL752150)	Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.
50036835	5	ChEMBL_149145 (CHEMBL759236)	Tested for binding affinity by [3H]diprenorphine displacement for Opioid receptor mu 1 was carried on crude membrane fractions obtained from the whole rat brain minus cerebellum..
50036835	4	ChEMBL_147187 (CHEMBL759360)	Tested for binding affinity by [3H]diprenorphine displacement for Opioid receptor delta 1 are carried on crude membrane fractions obtained from the whole rat brain minus cerebellum.
50036836	1	ChEMBL_61937 (CHEMBL675125)	In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.
50036836	8	ChEMBL_62065 (CHEMBL672365)	In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.
50036836	3	ChEMBL_62064 (CHEMBL670838)	In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.
50036836	4	ChEMBL_62067 (CHEMBL672367)	In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.
50036836	6	ChEMBL_62072 (CHEMBL672372)	In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.
50036836	7	ChEMBL_62070 (CHEMBL672370)	In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.
50036836	11	ChEMBL_62068 (CHEMBL672368)	In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes.
50036836	5	ChEMBL_62066 (CHEMBL672366)	In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.
50005730	5	ChEBML_221039	Inhibition of p56lck autophosphorylation
50036836	2	ChEMBL_62063 (CHEMBL670837)	In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes.
50038381	47	ChEMBL_473714 (CHEMBL936811)	Inhibition of MEK2
50038381	101	ChEMBL_473577 (CHEMBL939342)	Inhibition of VEGFR3
50038381	102	ChEMBL_473674 (CHEMBL921718)	Inhibition of human VEGFR1 in HUVEC cells
50038381	3	ChEMBL_473775 (CHEMBL937043)	Inhibition of ATM
50010264	5	ChEMBL_46994 (CHEMBL658963)	Compound was tested for inhibition of Adenylyl cyclase in cannabinoid receptor 2 (CB2). 
50010264	4	ChEMBL_46466 (CHEMBL657913)	Compound was tested for inhibition of Adenylyl cyclase in cannabinoid receptor 1 (CB1). 
50009650	10	ChEMBL_2527 (CHEMBL616877)	Binding affinity towards human cloned 5-hydroxytryptamine receptor 2A in HEK293 cells, using [3H]ketanserin as radioligand.
50009650	9	ChEMBL_2877 (CHEMBL617780)	Binding affinities towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells using [3H]5-HT as radioligand.
50009650	6	ChEMBL_51356 (CHEMBL666157)	Inhibition of heterologously expressed human cytochrome P450 1A2.
50009650	11	ChEMBL_2757 (CHEMBL617754)	Binding affinity towards human cloned 5-hydroxytryptamine receptor 2C in HEK293 cells, using [3H]mesulergine as radioligand.
50009650	8	ChEMBL_2886 (CHEMBL617788)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 2B receptor expressed in HEK293 cells
50005735	10	ChEMBL_28668 (CHEMBL649066)	Inhibition of adenosine binding to A1 receptor of rat brain homogenates
50005735	9	ChEMBL_156303 (CHEMBL760824)	Inhibition of phosphodiesterase 2 at 100 uM
50005735	8	ChEMBL_156298 (CHEMBL760819)	Inhibition of phosphodiesterase 1C at 100 uM
50009651	1	ChEMBL_138591 (CHEMBL746519)	Binding affinity for Mutant F36V-FK506 binding protein by competitive assay based on fluorescence polarization.
50036931	7	ChEMBL_158548 (CHEMBL768691)	Inhibition of voltage-gated potassium channel subunit Kv1.5
50010876	5	ChEMBL_99805 (CHEMBL710408)	In vitro antagonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells against 10 pM 17-beta-estradiol
50010876	6	ChEMBL_99632 (CHEMBL707546)	In vitro agonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells at 10 pM
50036953	6	ChEMBL_106154 (CHEMBL718850)	In vitro inhibition of human MMP-1.
50036953	2	ChEMBL_105380 (CHEMBL710800)	In vitro inhibition of human MMP-9.
50011234	1	ChEMBL_147893 (CHEMBL759293)	Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes
50011507	1	ChEMBL_44515 (CHEMBL658539)	The effective concentration in CV-1 cells for glucocorticoid response element activation (GRE).
50011507	4	ChEMBL_71397 (CHEMBL681749)	Binding affinity towards glucocorticoid receptor (GR) by displacing [3H]dexamethasone
50011507	2	ChEMBL_83748 (CHEMBL694626)	Effective concentration in HepG2 cells transfected with LUC gene (E-sel-Luc).
50011507	3	ChEMBL_153646 (CHEMBL762711)	Binding affinity towards progesterone receptor (PR) by displacing [3H]progesterone.
50012040	4	ChEMBL_202775 (CHEMBL809532)	Binding affinity for Src protein tyrosine kinase SH2 domain using scintillation proximity binding assay (SPA)
50012040	7	ChEMBL_202773 (CHEMBL808768)	Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)
50012040	3	ChEMBL_202774 (CHEMBL809531)	Binding affinity for Src protein tyrosine kinase SH2 domain using surface plasmon resonance (SPR) assay
50005738	1	ChEMBL_3810 (CHEMBL619885)	In vitro potency against human 5-Lipoxygenase
50012040	2	ChEMBL_202779 (CHEMBL873263)	Binding affinity towards Src protein tyrosine kinase SH2 domain using surface plasmon resonance (SPR) assay
50012040	6	ChEMBL_202777 (CHEMBL809534)	Binding affinity towards Src protein tyrosine kinase SH2 domain protein using scintillation proximity binding assay (SPA)
50037025	2	ChEMBL_36270 (CHEMBL648837)	Displacement of [3H]DHT from human Androgen receptor
50037049	1	ChEMBL_90046 (CHEMBL701917)	Inhibition of human whole blood LTB-4 production (Leukotriene B-4).
50037049	2	ChEMBL_96939 (CHEMBL706180)	Inhibition of human leukotriene A4 hydrolase (LTA-4).
50005741	1	ChEMBL_196561 (CHEMBL802429)	Binding affinity against L929 cells AdoHcy hydrolase activity
50005742	3	ChEMBL_156341 (CHEMBL759984)	In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)
50005742	4	ChEMBL_156342 (CHEMBL759985)	In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate
50005743	2	ChEMBL_28492 (CHEMBL645922)	Compound was evaluated for the Acyl coenzyme A:cholesterol acyltransferase inhibition using microsomes isolated from the livers of cholesterol fed rats
50005743	1	ChEMBL_28493 (CHEMBL645923)	Compound was evaluated for the Acyl coenzyme A:cholesterol acyltransferase inhibition using microsomes isolated from the livers of cholesterol fed rats.
50041316	1	ChEMBL_836268 (CHEMBL2076281)	TP_TRANSPORTER: reversal of Vinblastine accumulation (Vinblastine: 0.005 uM) in MDA435/LCC6 MDR1 cells
50037091	1	ChEMBL_146106 (CHEMBL754508)	Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells
50037091	2	ChEMBL_146117 (CHEMBL754586)	Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells
50037092	11	ChEMBL_106830 (CHEMBL717671)	Binding affinity for human Melanocortin-3 receptor
50037092	5	ChEMBL_106526 (CHEMBL713030)	Binding affinity against human Melanocortin 5 receptor
50037092	7	ChEMBL_106511 (CHEMBL713015)	Activity of cyclic alpha MSH analogues at human melanocortin receptor Melanocortin 5 receptor
50037092	6	ChEMBL_104240 (CHEMBL712745)	Binding affinity against human Melanocortin-4 receptor
50037092	4	ChEMBL_106827 (CHEMBL717668)	Agonist potency at human Melanocortin-3 receptor
50037092	2	ChEMBL_106514 (CHEMBL713018)	Binding affinity against human Melanocortin 5 receptor
50037092	13	ChEMBL_106828 (CHEMBL717669)	Binding affinity against human Melanocortin-3 receptor
50037092	1	ChEMBL_106512 (CHEMBL713016)	Binding affinity against human Melanocortin 5 receptor
50037092	8	ChEMBL_106513 (CHEMBL713017)	Binding affinity against human Melanocortin 5 receptor
50012640	2	ChEMBL_48503 (CHEMBL660652)	Inhibitory activity against human Cathepsin L
50037112	4	ChEMBL_143727 (CHEMBL756123)	Binding affinity to Nicotinic acetylcholine receptor alpha4-beta2 using +/-[3H]epibatidine as radioligand in rat brain
50037112	2	ChEMBL_144180 (CHEMBL749561)	Binding affinity to subtype Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand in rat brain
50037112	1	ChEMBL_143393 (CHEMBL750860)	Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland
50037121	16	ChEMBL_89209 (CHEMBL702446)	Binding against the partially purified human Inducible nitric oxide synthase
50037121	8	ChEMBL_211953 (CHEMBL816543)	Inhibition of NGF-stimulated Trk A
50037121	9	ChEMBL_221491 (CHEMBL842077)	Inhibition of p56 Lck SH2 domain binding to pYEEI
50037121	13	ChEMBL_221492 (CHEMBL841379)	Binding affinity for p56 lck kinase
50013441	4	ChEMBL_145457 (CHEMBL751090)	Opioid receptor mu 1 agonism in guinea pig ileum
50037179	6	ChEMBL_106011 (CHEMBL716367)	Inhibition of human Melanocortin 3 receptor
50037179	3	ChEMBL_105996 (CHEMBL716353)	Effective concentration of peptide at 50% maximal cAMP generation
50037179	4	ChEMBL_106650 (CHEMBL715687)	Inhibition of human melanocortin 5 receptor
50037179	2	ChEMBL_106516 (CHEMBL713020)	Effective concentration of peptide at 50% maximal cAMP generation (10e-10 to 10e-4 M)
50037179	7	ChEMBL_106347 (CHEMBL713802)	Inhibition of human melanocortin 4 receptor
50037179	8	ChEMBL_106184 (CHEMBL714603)	Effective concentration of peptide at 50% maximal cAMP generation
50037179	1	ChEMBL_106515 (CHEMBL713019)	Effective concentration of peptide at 50% maximal cAMP generation
50037179	5	ChEMBL_106019 (CHEMBL718191)	Inhibitory activity against human Melanocortin 3 receptor was determined
50037179	11	ChEMBL_106185 (CHEMBL714604)	Effective concentration of peptide at 50% maximal cAMP generation (10e-10 to 10e-4 M)
50013671	9	ChEMBL_160777 (CHEMBL766317)	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]
50013671	1	ChEMBL_160136 (CHEMBL766781)	Inhibition of human Protein kinase C alpha with [Ca2+]
50013671	3	ChEMBL_160962 (CHEMBL769123)	Binding affinity for human Protein kinase C epsilon
50013671	13	ChEMBL_160773 (CHEMBL766313)	Binding affinity for human Protein kinase C delta
50013671	4	ChEMBL_160130 (CHEMBL766775)	Binding affinity for human Protein kinase C alpha with [Ca2+]
50013671	12	ChEMBL_160776 (CHEMBL766316)	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [Ca2+]
50013671	7	ChEMBL_161277 (CHEMBL772958)	Inhibition of human Protein kinase C gamma with [Ca2+]
50013671	6	ChEMBL_160468 (CHEMBL761764)	Binding affinity for human PKC beta-1
50013787	1	ChEMBL_41372 (CHEMBL653332)	Compound was tested for its inhibitory activity against human beta-Secretase (BACE)
50013787	2	ChEMBL_41371 (CHEMBL653331)	Compound was tested for its effective concentration against human beta-Secretase (BACE)
50037214	4	ChEMBL_145615 (CHEMBL754334)	Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand
50037214	2	ChEMBL_145395 (CHEMBL752737)	Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand
50037214	3	ChEMBL_148071 (CHEMBL754564)	Inhibitory activity was determined in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO)membranes
50037214	6	ChEMBL_148248 (CHEMBL753407)	Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand
50037214	7	ChEMBL_145587 (CHEMBL749732)	Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cell membranes was determined
50037214	1	ChEMBL_147241 (CHEMBL755509)	Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined
50005756	2	ChEMBL_159442 (CHEMBL763238)	In vitro inhibition of recombinant HIV-1 protease expressed in Escherichia coli strain D1210
50013896	1	ChEMBL_69839 (CHEMBL681890)	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined
50013896	2	ChEMBL_69840 (CHEMBL681891)	Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand
50013896	3	ChEMBL_69704 (CHEMBL680580)	Inhibitory activity against farnesyl Pyrophosphate Synthase was determined
50005758	1	ChEMBL_29095 (CHEMBL636833)	Inhibitory activity against acetylcholine esterase (AChE)
50005758	2	ChEMBL_29097 (CHEMBL636835)	Inhibition against acetylcholinesterase (AChE)
50005761	4	ChEMBL_60885 (CHEMBL673532)	Tested for inhibition of E-selectin expression by ELISA at the dose of 30 uM
50005761	2	ChEMBL_89066 (CHEMBL698853)	Tested for inhibition of ICAM expression by ELISA at the dose of 30 uM
50005761	1	ChEMBL_60886 (CHEMBL673533)	Tested for inhibition of E-selection expression by ELISA at the dose of 30 uM
50005761	3	ChEMBL_89065 (CHEMBL698852)	Tested for inhibition of ICAM expression by ELISA at the dose of 30 uM
50037215	2	ChEMBL_157885 (CHEMBL765052)	Competitive inhibition against HIV-1 Protease
50037215	1	ChEMBL_159444 (CHEMBL763240)	In vitro inhibitory activity against HIV-1 Protease
50041354	6	ChEMBL_2762 (CHEMBL617759)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2C receptor expressed in 3T3 cells using [3H]5-HT as radioligand
50041354	2	ChEMBL_1755 (CHEMBL616541)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand
50041354	3	ChEMBL_1754 (CHEMBL616861)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 1D receptor expressed in HEK 293 cells using [3H]LSD as radioligand
50005763	3	ChEMBL_50199 (CHEMBL663492)	The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreatic tissue using [125]BH CCK-A as radioligand
50041354	5	ChEMBL_3645 (CHEMBL620782)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD as radioligand
50041354	7	ChEMBL_2532 (CHEMBL616882)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 2A receptor expressed in 3T3 cells using [3H]5-HT as radioligand
50041354	4	ChEMBL_3719 (CHEMBL619891)	Binding constant towards serotonin receptor subtype 5-hydroxytryptamine 7 receptor expressed in CHO cells using [3H]LSD as radioligand
50041366	2	ChEMBL_99888 (CHEMBL714238)	In vitro binding affinity was determined against human Luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells
50013106	1	ChEMBL_163994 (CHEMBL766521)	Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B (NS5B polymerase) expressed from baculovirus-infected Sf9 insect cells
50014079	1	ChEMBL_145149 (CHEMBL755953)	Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in guinea pig brain membranes.
50014079	3	ChEMBL_146368 (CHEMBL759288)	Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes.
50014079	2	ChEMBL_147025 (CHEMBL753666)	Binding affinity against opioid receptor delta 1 using [3H]naltrindole as radioligand in guinea pig brain membranes.
50005768	6	ChEMBL_30108 (CHEMBL642035)	Displacement of [3H]-Ro- 15-4513 from alpha-6-beta-2-gamma-2 GABA-A receptor subunits expressed in Sf9 cell membranes
50005769	2	ChEMBL_70313 (CHEMBL678018)	Inhibition of [3H]-SKF- 107260 binding to purified GPIIb/IIIa from human platelets reconstituted in liposomes
50037272	5	ChEMBL_31395 (CHEMBL643653)	Effective concentration for inhibition of NECA-stimulated [35S]GTP-gamma-S, binding at human adenosine A3 receptor expressed in CHO cells
50041362	1	ChEMBL_100153 (CHEMBL857182)	In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site
50041366	4	ChEMBL_100151 (CHEMBL712508)	In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells
50005778	1	ChEMBL_209643 (CHEMBL811584)	The compound was tested for inhibitory activity against thymidylate synthase (purified recombinant human gene) from Escherichia coli
50005778	2	ChEMBL_209644 (CHEMBL811585)	The compound was tested for inhibitory activity against thymidylate synthase (purified recombinant human gene) from Escherichia coli.
50041366	5	ChEMBL_100148 (CHEMBL712505)	In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells
50041456	8	ChEMBL_372312 (CHEMBL869701)	Inhibition of fluorescent-labeled Dexamethasone binding to GR
50005782	9	ChEMBL_216999 (CHEMBL821534)	Inhibitory activity against c-src tyrosine kinase
50005782	8	ChEMBL_152945 (CHEMBL874643)	Inhibitory activity was determined against protein kinase A (PKA) of rabbit
50005782	4	ChEMBL_226209 (CHEMBL844139)	Inhibitory activity against v-abl tyrosine kinase
50005782	1	ChEMBL_454 (CHEMBL615685)	Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 cells
50041366	3	ChEMBL_99889 (CHEMBL714239)	In vitro binding affinity was determined against rat Luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells
50005782	6	ChEMBL_38706 (CHEMBL651602)	Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 cells
50038381	40	ChEMBL_473623 (CHEMBL937639)	Inhibition of p34cdc2
50038381	18	ChEMBL_473724 (CHEMBL936821)	Inhibition of human JNK3
50038381	123	ChEMBL_473676 (CHEMBL921719)	Inhibition of human BTK
50038381	32	ChEMBL_473588 (CHEMBL939353)	Inhibition of ERK1
50005792	2	ChEMBL_58692 (CHEMBL672658)	Binding affinity at dopamine D2 receptor by [3H]spiperone displacement.
50005792	3	ChEMBL_62396 (CHEMBL672951)	Binding affinity at dopamine D2 receptor by [3H]spiperone displacement.
50038381	15	ChEMBL_473722 (CHEMBL936820)	Inhibition of human JNK1
50038381	36	ChEMBL_473627 (CHEMBL937643)	Inhibition of c-Src
50038381	139	ChEMBL_473707 (CHEMBL936806)	Inhibition of Chk1 mediated phosphorylation of cdc25C
50038381	50	ChEMBL_473630 (CHEMBL937646)	Inhibition of Cdk1
50038381	122	ChEMBL_473744 (CHEMBL936939)	Inhibition of DYRK1a
50038381	7	ChEMBL_473877 (CHEMBL937188)	Binding affinity to GSK3-beta
50014450	1	ChEMBL_106505 (CHEMBL715499)	Antagonistic activity against mice melanocortin 4 receptor using [125I][NDP]-R-MSH as radioligand in a membrane filtration assay
50005794	3	ChEMBL_158152 (CHEMBL767957)	Inhibitory activity against bovine seminal vesicle prostaglandin synthetase
50005794	1	ChEMBL_156356 (CHEMBL761686)	Inhibitory activity porcine pancreatic phospholipase-A2
50005794	2	ChEMBL_4161 (CHEMBL619228)	Inhibitory activity against rat basophilic leukemia 5-lipoxygenase
50014956	1	ChEMBL_305670 (CHEMBL827939)	Inhibition of CRF-stimulated cAMP production in cells expressing CRF1 receptor
50014956	2	ChEMBL_302830 (CHEMBL838620)	Binding affinity for recombinant human CRF1 receptor
50015154	2	ChEMBL_310168 (CHEMBL824824)	Agonistic activity against human Melanocortin 3 receptor
50037348	1	ChEMBL_302490 (CHEMBL827180)	Binding affinity against Beta-secretase
50037348	2	ChEMBL_304885 (CHEMBL829260)	Binding affinity against Beta-secretase
50015156	2	ChEMBL_303584 (CHEMBL828125)	Ability to displace [3H]spiperone from human Dopamine receptor D4.2 stably transfected in human embryonic kidney 298 cells
50037349	2	ChEMBL_303423 (CHEMBL840086)	Binding affinity towards recombinant human Adenosine A2a receptor was determined using [3H]CGS-21680 (10 nM) as radioligand
50037349	1	ChEMBL_303374 (CHEMBL839692)	Binding affinity towards recombinant human Adenosine A1 receptor was determined using [3H]R-PIA (2.0 nM) as radioligand
50005798	1	ChEMBL_162190 (CHEMBL766710)	Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM phosphate
50037349	3	ChEMBL_303655 (CHEMBL829003)	Binding affinity towards human Adenosine A3 receptor stably transfected in CHO cells was determined using [125I]I-AB-MECA (1.0 nM) as radioligand
50016428	2	ChEMBL_305310 (CHEMBL831701)	Inhibition of JNK-stimulating phosphatase-1 (JSP-1)
50016428	1	ChEMBL_304945 (CHEMBL826974)	In vitro inhibitory concentration against VH1-related (VHR) phosphatase
50016419	10	ChEMBL_305111 (CHEMBL831580)	Inhibitory concentration against TNF-alpha release in LPS treated whole blood
50005800	1	ChEMBL_211333 (CHEMBL820776)	Inhibition of tubulin polymerization
50016419	4	ChEMBL_304668 (CHEMBL827868)	Inhibitory concentration against rat TACE
50016419	6	ChEMBL_304625 (CHEMBL828510)	Inhibitory concentration against MMP-9
50016419	11	ChEMBL_304617 (CHEMBL828503)	Inhibitory concentration against MMP-1
50016419	7	ChEMBL_304645 (CHEMBL828528)	Inhibitory concentration against MMP-14
50015603	1	ChEMBL_305221 (CHEMBL831641)	In vitro inhibitory concentration against ovine Cyclooxygenase-2
50015603	2	ChEMBL_305220 (CHEMBL831640)	In vitro inhibitory concentration against ovine Cyclooxygenase-1
50005802	1	ChEMBL_159974 (CHEMBL768121)	Binding affinity against HIV -1 protease
50005803	2	ChEMBL_3828 (CHEMBL618013)	Tested for activity against 5-Lipoxygenase (5-LO)
50005803	3	ChEMBL_3829 (CHEMBL618014)	Tested for activity against 5-lipoxygenase
50005803	1	ChEMBL_3827 (CHEMBL882927)	Tested against 5-lipoxygenase
50005805	2	ChEMBL_54908 (CHEMBL664717)	Inhibitory concentration for DHFR in Lactobacillus casei
50005805	5	ChEMBL_28411 (CHEMBL642455)	Inhibitory concentration against Lactobacillus casei AICAR formyltransferase
50005805	8	ChEMBL_156509 (CHEMBL765140)	Inhibitory concentration in glycinamide ribonucleotide formyltransferase (GARFT) Lactobacillus casei
50005807	1	ChEMBL_48624 (CHEMBL659605)	In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%
50005807	2	ChEMBL_207970 (CHEMBL815797)	In vitro evaluation for the concentration needed for inhibiting thrombin by 50%
50005809	4	ChEMBL_200976 (CHEMBL802063)	Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]pentazocine as radioligand
50005809	2	ChEMBL_200980 (CHEMBL801233)	Tested for binding affinity against sigma 1 receptor
50015797	5	ChEMBL_305544 (CHEMBL877010)	Inhibitory concentration against human steroid sulfatase
50005809	1	ChEMBL_201740 (CHEMBL809875)	Binding affinity against [3H]-3-PPP labelled sigma sites
50015797	4	ChEMBL_305888 (CHEMBL832903)	Inhibitory concentration against human steroid sulfatase expressed in CHO cells
50015797	2	ChEMBL_305396 (CHEMBL833046)	Inhibitory constant against human steroid sulfatase
50015797	3	ChEMBL_302806 (CHEMBL838514)	Inhibitory constant against human steroid sulfatase
50037433	2	ChEMBL_302833 (CHEMBL838623)	Binding affinity against 5-hydroxy tryptamine 6 receptor
50042238	2	ChEMBL_307282 (CHEMBL832277)	Inhibition of human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) in open state
50042238	1	ChEMBL_307283 (CHEMBL832278)	Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel)
50015959	1	ChEMBL_308693 (CHEMBL875722)	Inhibitory activity for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium
50015959	5	ChEMBL_308687 (CHEMBL834127)	Inhibitory activity for binding of PGD-2 to CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes
50015959	7	ChEMBL_308698 (CHEMBL834933)	Inhibitory concentration for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium
50015959	6	ChEMBL_313011 (CHEMBL874205)	Inhibitory concentration for PGD2-mediated receptor activation in a fluorescence assay that measures changes in intracellular calcium
50005815	2	ChEMBL_49623 (CHEMBL660461)	The compound was evaluated for the binding affinity against bovine pancreatic chymotrypsinogen
50015959	4	ChEMBL_308678 (CHEMBL833654)	Inhibitory activity against CRTH-2 in hCRTH-2 binding assay using HEK293 cell membranes
50016163	8	ChEMBL_305055 (CHEMBL831692)	Inhibition of human phosphodiesterase 5
50016163	6	ChEMBL_305103 (CHEMBL876977)	Inhibition of human phosphodiesterase 11
50005817	1	ChEMBL_50552 (CHEMBL660330)	Inhibition of human Placental Cytochrome P450 19A1 in vitro using human placental microsomes and testosterone
50037454	1	ChEMBL_302927 (CHEMBL830386)	Inhibition of [3H]QNB binding to human muscarinic receptor M1
50037454	2	ChEMBL_302248 (CHEMBL830264)	Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay
50016437	1	ChEMBL_306658 (CHEMBL831431)	Inhibition of alpha IIb beta3 integrin receptor in human platelet rich plasma
50016437	2	ChEMBL_306128 (CHEMBL833067)	Inhibition of alpha5-beta1 integrin receptor in ELISA
50016437	3	ChEMBL_306903 (CHEMBL828346)	Inhibition of fibrinogen binding to alphaV-beta3 integrin receptor
50044025	1	ChEMBL_304014 (CHEMBL840097)	Binding affinity for human 5-hydroxytryptamine 6 receptor
50016559	4	ChEMBL_302815 (CHEMBL839505)	Inhibition of [125I]- IOXY binding to human Opioid receptor delta1
50016559	6	ChEMBL_304236 (CHEMBL829775)	Stimulation of [35S]GTP-gamma-S, binding to Opioid receptor kappa1 expressed in CHO cells
50016559	2	ChEMBL_302757 (CHEMBL838703)	Inhibition of [125I]- IOXY binding to human Opioid receptor mu1
50016559	3	ChEMBL_304325 (CHEMBL829297)	Stimulation of [35S]-GTP gammaS binding to Opioid receptor delta 1 expressed in CHO cells; ND = Not determined
50016559	1	ChEMBL_302816 (CHEMBL839506)	Inhibition of [125I]- IOXY binding to human Opioid receptor kappa1
50005829	1	ChEMBL_140307 (CHEMBL749365)	Inhibition of the binding of [3H]L-689,560 ([3H]-4) to the strychnine-insensitive glycine site on rat brain membranes
50016559	5	ChEMBL_304303 (CHEMBL830098)	Stimulation of [35S]GTP-gamma-S, binding to Opioid receptor mu1 expressed in CHO cells; ND = Not determined
50016639	2	ChEMBL_303625 (CHEMBL828836)	Inhibition of [3H]APS-314d binding to prostacyclin receptors (IP) of human platelet membrane
50016639	1	ChEMBL_303672 (CHEMBL830433)	Inhibition of [3H]SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane
50037530	3	ChEMBL_305776 (CHEMBL827965)	Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4
50037530	1	ChEMBL_305751 (CHEMBL829522)	Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4
50037530	8	ChEMBL_303020 (CHEMBL830408)	Inhibition of recombinant human dihydrofolate reductase done at 37 degree C in pH 7.4 with compound
50037530	4	ChEMBL_305777 (CHEMBL827966)	Inhibition of human thymidylate synthetase at 37 degree C pH 7.4
50016643	4	ChEMBL_306557 (CHEMBL828302)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 5-25 nM
50016643	20	ChEMBL_306243 (CHEMBL831153)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate
50016643	10	ChEMBL_306070 (CHEMBL833025)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate
50016643	8	ChEMBL_306573 (CHEMBL832921)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 50-250 nM
50016643	11	ChEMBL_305171 (CHEMBL832761)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate
50016643	3	ChEMBL_306555 (CHEMBL828300)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1-10 nM
50016643	2	ChEMBL_306556 (CHEMBL828301)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 4-10 nM
50016643	5	ChEMBL_305059 (CHEMBL831695)	Inhibition of HER1 kinase in intact DHER14 cells
50016643	14	ChEMBL_306445 (CHEMBL829089)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 25-50 nM
50016643	18	ChEMBL_306444 (CHEMBL829088)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 10-50 nM
50016643	21	ChEMBL_306538 (CHEMBL827827)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 3-5 nM
50016643	7	ChEMBL_306642 (CHEMBL832979)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000-10000 nM
50016643	16	ChEMBL_306459 (CHEMBL829536)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 6.7-20 nM
50016643	9	ChEMBL_306574 (CHEMBL832922)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 6.7-20 nM
50016643	1	ChEMBL_306418 (CHEMBL828089)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1-10 nM
50016644	1	ChEMBL_304760 (CHEMBL829357)	Inhibition of Grb2 SH2 domain binding
50037543	3	ChEMBL_303546 (CHEMBL839751)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex
50037543	4	ChEMBL_302237 (CHEMBL828857)	Dissociation constant for rat Nicotinic acetylcholine receptor alpha-7 at 45 pM
50037543	1	ChEMBL_303475 (CHEMBL838850)	Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex 
50044026	1	ChEMBL_306092 (CHEMBL830867)	In vitro inhibitory concentration against DNA gyrase from Escherichia coli H560
50044027	1	ChEMBL_304044 (CHEMBL840221)	Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593
50044027	2	ChEMBL_304036 (CHEMBL840214)	Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO
50044027	3	ChEMBL_304038 (CHEMBL840216)	Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE
50005843	2	ChEMBL_29168 (CHEMBL637899)	Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]R-(phenylisopropyl)-adenosine
50044027	4	ChEMBL_304089 (CHEMBL838527)	Affinity against opioid receptor kappa 1 in guinea pig brain membranes determined in a competitive binding assay using [3H]U-69593 as competitive ligand (Compound 62)
50005847	2	ChEMBL_65650 (CHEMBL678070)	Inhibition of [125I]ET1 binding to cloned human ET-A receptor
50005847	3	ChEMBL_63849 (CHEMBL673233)	Inhibition of [125I]ET1 binding to cloned human ET-B receptor
50005847	1	ChEMBL_65651 (CHEMBL678071)	Inhibition of [125I]ET1 binding to cloned human Endothelin A receptor
50044027	5	ChEMBL_304088 (CHEMBL838526)	Affinity against opioid receptor delta 1 in rat brain membranes determined in a competitive binding assay using [3H]DADLE as competitive ligand (Compound 62)
50044027	6	ChEMBL_304087 (CHEMBL838525)	Affinity against opioid receptor mu 1 in rat brain membranes determined in a competitive binding assay using [3H]DAMGO as competitive ligand (Compound 62)
50005855	4	ChEMBL_36326 (CHEMBL650859)	Inhibition of Angiotensin II induced contractions in rabbit aortic rings
50005855	5	ChEMBL_36769 (CHEMBL650292)	Binding affinity against angiotensin II receptor type 2 (AT2) of rat adrenal medulla.
50005855	2	ChEMBL_36637 (CHEMBL652348)	Binding affinity against AT1 receptor of rat adrenal cortical membranes
50005856	1	ChEMBL_44886 (CHEMBL656581)	Activity against human carbonic anhydrase II
50016185	7	ChEMBL_303703 (CHEMBL829038)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor
50016185	2	ChEMBL_303788 (CHEMBL830145)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain opioid receptor
50016615	5	ChEMBL_321432 (CHEMBL880240)	Displacement of [3H]LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells
50016615	14	ChEMBL_321334 (CHEMBL880618)	Inhibitory activity against 5-hydroxytryptamine 6 receptor in human
50016607	2	ChEMBL_320955 (CHEMBL885362)	Binding affinity for 1 uM [3H]diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)
50016607	1	ChEMBL_322129 (CHEMBL884380)	Concentration required to enhance [35S]GTP-gamma-S, binding to human Opioid receptor kappa expressed in CHO cells
50016652	1	ChEMBL_322368 (CHEMBL855227)	Inhibitory concentration against MCH1R IMR32 cells in FLIPR-based assay
50005858	1	ChEMBL_3982 (CHEMBL619255)	Inhibition of 5-lipoxygenase in bovine polymorphonuclear leukocytes
50005858	2	ChEMBL_4298 (CHEMBL618407)	Inhibitory concentration against arachidonic acid 5-lipoxygenation
50016652	2	ChEMBL_321352 (CHEMBL881496)	Inhibitory activity towards melanin-concentrating hormone receptor 1 in IMR32 cells
50016754	2	ChEMBL_320961 (CHEMBL885368)	Binding affinity towards adenosine A1 receptor of rat cerebral cortex using [3H]DPCPX compared to SCH-58261 (Ki=390 nM)
50016707	4	ChEMBL_321273 (CHEMBL881279)	In vitro inhibitory concentration against IGF-1R kinase
50016707	9	ChEMBL_321417 (CHEMBL881948)	In vitro inhibitory concentration against IR kinase with ATP concentration at 1/2Km
50016707	8	ChEMBL_321420 (CHEMBL881951)	Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%
50016707	5	ChEMBL_321431 (CHEMBL880239)	Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%
50016707	19	ChEMBL_321360 (CHEMBL881504)	Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%
50016707	20	ChEMBL_321361 (CHEMBL881505)	Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%
50016854	1	ChEMBL_320841 (CHEMBL871683)	Binding affinity for HCV NS3 protease measured by HCV continuous assay
50016983	4	ChEMBL_321689 (CHEMBL872184)	Apparent inhibitory constant against human cathepsin K
50016983	3	ChEMBL_321688 (CHEMBL872183)	Apparent inhibitory constant against human cathepsin B
50016983	6	ChEMBL_321690 (CHEMBL872185)	Apparent inhibitory constant against human cathepsin L
50016983	5	ChEMBL_321691 (CHEMBL872186)	Apparent inhibitory constant against human cathepsin S
50037625	2	ChEMBL_321555 (CHEMBL881969)	Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
50037627	5	ChEMBL_321303 (CHEMBL881399)	Inhibitory concentration against Mineralocorticoid receptor
50037627	1	ChEMBL_320784 (CHEMBL884739)	Inhibitory concentration against Androgen receptor
50037627	3	ChEMBL_320795 (CHEMBL884750)	Inhibitory concentration against Farnesoid X receptor
50037627	12	ChEMBL_321242 (CHEMBL881777)	Inhibitory concentration against Androgen receptor
50037627	7	ChEMBL_320798 (CHEMBL884753)	Inhibitory concentration against Glucocorticoid receptor
50037627	2	ChEMBL_321384 (CHEMBL881762)	Inhibitory concentration against Farnesoid X receptor; range from 50-100000
50037627	10	ChEMBL_320799 (CHEMBL884754)	Inhibitory concentration against Progesterone receptor
50037627	9	ChEMBL_321264 (CHEMBL881889)	Inhibitory concentration against Progesterone receptor
50037627	4	ChEMBL_321261 (CHEMBL881886)	Inhibitory concentration against Glucocorticoid receptor
50044028	1	ChEMBL_321073 (CHEMBL885138)	Displacement of [3H]oxytocin from human Oxytocin receptor
50044028	2	ChEMBL_321077 (CHEMBL872157)	Displacement of [3H]oxytocin from human V1a vasopressin receptor
50044028	3	ChEMBL_321075 (CHEMBL885140)	Displacement of [3H]oxytocin from human V2 vasopressin receptor
50044028	4	ChEMBL_321076 (CHEMBL872156)	Displacement of [3H]oxytocin from human V1b vasopressin receptor
50017130	5	ChEMBL_326138 (CHEMBL864514)	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP
50017130	1	ChEMBL_326140 (CHEMBL862695)	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma
50017130	3	ChEMBL_326139 (CHEMBL864515)	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione
50017130	4	ChEMBL_326142 (CHEMBL862697)	Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells
50017130	2	ChEMBL_326141 (CHEMBL862696)	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP
50005871	1	ChEBML_151717	In vitro PAF antagonistic activity by determining [3H]PAF binding to the PAF-receptor of human platelets
50005872	2	ChEBML_55135	Inhibition of rat liver dihydrofolate reductase.
50005872	4	ChEBML_54130	Tested for inhibitory activity against dihydrofolate reductase in human
50005872	5	ChEBML_53495	Tested for inhibitory activity against dihydrofolate reductase in Toxoplasma gondii
50005872	1	ChEBML_53134	Tested for inhibitory activity against dihydrofolate reductase in pneumocystis carinii
50005873	1	ChEBML_158994	Inhibitory activity against HIV-1 Protease
50005880	9	ChEMBL_62708 (CHEMBL675801)	Evaluated for binding towards dopamine D2-receptor using [3H]N-0437 as radioligand from rat striatal membrane
50005880	5	ChEBML_60996	Binding towards dopamine receptor D4 expressed in CHO-K1 cells using [3H]spiperone 
50005880	3	ChEBML_59483	Evaluated for binding towards Dopamine receptor D2 using [3H]N-0437 as radioligand from rat striatal membrane
50005880	16	ChEMBL_62706 (CHEMBL675799)	Evaluated for binding towards Dopamine receptor D2 using [3H]N-0437 as radioligand from rat striatal membrane
50005880	4	ChEMBL_202068 (CHEMBL813150)	Binding effinity for sigma receptor using 2 nM of [3H]-DTG as radioligand, in membranes from brain minus cerebellum
50005880	10	ChEMBL_201882 (CHEMBL809037)	Binding affinity for sigma receptor using 2 nM of [3H]DTG as radioligand, in membranes from brain minus cerebellum
50005882	1	ChEBML_35285	Binding affinity against Angiotensin II receptor type 2 from rat mid brain using [125I]-Sar1-Ile8-Ang II without BSA
50044029	1	ChEMBL_326168 (CHEMBL864489)	Binding affinity to non phosphorylated PIM1
50044029	2	ChEMBL_326167 (CHEMBL862677)	Inhibitory activity against PIM1
50017454	1	ChEMBL_344385 (CHEMBL865437)	Inhibition of COX1 in canine whole blood
50017454	2	ChEMBL_344386 (CHEMBL865438)	Inhibition of COX2 in canine whole blood
50017443	2	ChEMBL_344573 (CHEMBL866612)	Inhibition of human B1 receptor
50017443	1	ChEMBL_344574 (CHEMBL868440)	Inhibition of human B1 receptor by calcium influx functional assay
50017314	1	ChEMBL_346607 (CHEMBL863816)	Inhibition of BACE1 activity by FRET assay
50017734	4	ChEMBL_352181 (CHEMBL869661)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC epsilon-C1A
50017734	7	ChEMBL_352174 (CHEMBL867849)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC alpha-C1B
50017734	12	ChEMBL_352177 (CHEMBL867852)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC gamma-C1A
50017734	10	ChEMBL_352179 (CHEMBL869659)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC delta-C1A
50017734	3	ChEMBL_352184 (CHEMBL869664)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC eta-C1B
50017734	5	ChEMBL_352173 (CHEMBL867848)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC alpha-C1A
50017734	2	ChEMBL_352183 (CHEMBL869663)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC eta-C1A
50017734	13	ChEMBL_352176 (CHEMBL867851)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC beta-C1B
50017748	2	ChEMBL_352380 (CHEMBL861081)	Cytotoxicity against mouse MDR1 transfected L5178YvMDR cell line
50017748	1	ChEMBL_352378 (CHEMBL861079)	Inhibition of P-glycoprotein
50037694	2	ChEMBL_352426 (CHEMBL859957)	Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR
50037694	1	ChEMBL_352427 (CHEMBL859958)	Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR
50017736	2	ChEMBL_352524 (CHEMBL861995)	Effect on Gal4/PPAR-gamma-LBD construct transactivation in Huh7 cells
50017794	8	ChEMBL_352635 (CHEMBL862126)	Inhibition of mouse recombinant sPLA2 G2A
50044030	1	ChEMBL_352666 (CHEMBL862145)	Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production
50044030	2	ChEMBL_352667 (CHEMBL862146)	Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulation of cAMP production
50044030	3	ChEMBL_352669 (CHEMBL862149)	Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production
50044030	5	ChEMBL_352722 (CHEMBL863068)	Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells
50044030	4	ChEMBL_352720 (CHEMBL863066)	Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells
50005895	1	ChEBML_153299	Binding affinity of [3H]LTB4 to receptors on intact human polymorphonuclear leukocytes
50005896	1	ChEBML_99828	Binding affinity against Leukotriene B4 receptor on intact differentiated U-937 cells in competitive binding assay with [3H]LTB4
50005897	3	ChEBML_29009	Binding affinity at A1 adenosine receptor in rat brain cortical membrane using [3H]- N6-R-phenylisopropyladenosine (R-PIA)
50005897	1	ChEMBL_29009 (CHEMBL643483)	Binding affinity at A1 adenosine receptor in rat brain cortical membrane using [3H]- N6-R-phenylisopropyladenosine (R-PIA)
50017513	3	ChEMBL_355134 (CHEMBL853187)	Displacement of [3H]citalopram from SERT
50017513	2	ChEMBL_355136 (CHEMBL853189)	Displacement of [3H]nisoxetine from NET
50037717	1	ChEMBL_365330 (CHEMBL871240)	Inhibition of rabbit muscle GPa
50041453	1	ChEMBL_365368 (CHEMBL871198)	Inhibition of human cathepsin K
50041453	2	ChEMBL_365371 (CHEMBL863025)	Inhibition of human cathepsin S
50018058	3	ChEMBL_372237 (CHEMBL853390)	Inhibition of DAT-mediated [3H]DA uptake in rat striatum
50018058	4	ChEMBL_372236 (CHEMBL853389)	Inhibition of [3H]WIN-35428 binding to rat striatum DAT
50038381	9	ChEMBL_473576 (CHEMBL939341)	Inhibition of VEGFR2
50038381	60	ChEMBL_473550 (CHEMBL939218)	Inhibition of MEK1
50038381	160	ChEMBL_473729 (CHEMBL936920)	Inhibition of CaM-K4
50038381	95	ChEMBL_473750 (CHEMBL936947)	Inhibition of mouse Clk1
50038381	151	ChEMBL_473795 (CHEMBL937060)	Inhibition of IGF1R-dependent tumor cell growth in human MCF7 cells
50038381	26	ChEMBL_473793 (CHEMBL937058)	Inhibition of IGF1R autophosphorylation in human MCF7 cells
50038381	48	ChEMBL_473602 (CHEMBL939367)	Inhibition of HER2
50038381	117	ChEMBL_473832 (CHEMBL939224)	Activity at human wild type CFTR expressed in Calu3 cells assessed as forskolin stimulated iodide flux
50038381	157	ChEMBL_473556 (CHEMBL939226)	Inhibition of p56lck-mediated exogenous peptide phosphorylation
50038381	146	ChEMBL_473874 (CHEMBL937186)	Inhibition of wild type EGFR
50005900	1	ChEBML_34806	Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membrane
50038381	87	ChEMBL_473569 (CHEMBL939334)	Inhibition of Chk2
50038381	131	ChEMBL_473809 (CHEMBL937073)	Binding affinity to GSK3-beta
50041456	1	ChEMBL_372315 (CHEMBL869709)	Activity at GR assessed as ability to antagonize dexamethasone-induced MMTV luciferase reporter gene transactivation in human A549 cells
50041456	7	ChEMBL_372316 (CHEMBL869706)	Agonist activity at GR assessed as MMTV-mediated transactivation of renilla luciferase gene in human A549 cells relative to Dexamethasone
50041456	9	ChEMBL_372313 (CHEMBL869702)	Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cells
50005903	1	ChEBML_142501	Binding affinity towards NMDA receptor to displace [3H]L-689,560 from rat cortical membranes
50037733	1	ChEMBL_372415 (CHEMBL854499)	Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay
50018123	1	ChEMBL_376274 (CHEMBL870913)	Inhibition of CYP19
50017811	4	ChEMBL_376406 (CHEMBL866632)	Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
50017810	1	ChEMBL_376466 (CHEMBL863667)	Displacement of [125I]NDP-MSH from human MC3R expressed in HEK293 cells
50017891	2	ChEMBL_379521 (CHEMBL864252)	Inhibition of FLT4
50017891	4	ChEMBL_379518 (CHEMBL864249)	Inhibition of KDR by cellular assay
50017891	6	ChEMBL_379517 (CHEMBL864248)	Inhibition of KDR
50005907	7	ChEBML_55129	Inhibition of rat liver dihydrofolate reductase
50005907	2	ChEBML_52835	Inhibitory concentration against Pneumocystis carinii dihydrofolate reductases (DHFR)
50005907	10	ChEMBL_54778 (CHEMBL667855)	Inhibitory concentration against rat liver dihydrofolate reductases
50005907	8	ChEBML_53313	Inhibitory concentration against Toxoplasma gondii dihydrofolate reductases (DHFR)
50017902	2	ChEMBL_379861 (CHEMBL864849)	Displacement of [3H]DPDE from delta opioid receptor
50017902	4	ChEMBL_379860 (CHEMBL864843)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate
50005907	9	ChEBML_100793	Inhibitory concentration required to decrease cell viability in cell growth culture against breast carcinoma cells MCF-7
50005907	1	ChEMBL_55128 (CHEMBL665454)	Inhibitory concentration against rat liver (RL) dihydrofolate reductases (DHFR)
50005910	1	ChEBML_153331	Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay
50005911	1	ChEMBL_209654 (CHEMBL811594)	Inhibition of purified human thymidylate synthase isolated from an Escherichia coli harboring thy A gene cloned from SV40 transformed human fibroblast cells
50005912	1	ChEBML_152654	Inhibitory activity of alpha-ketoesters towards papain at pH 6.0
50005912	6	ChEMBL_43671 (CHEMBL656204)	Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.
50005912	4	ChEBML_47386	Inhibition of alpha-keto esters towards cathepsin B at pH 5.2
50018181	8	ChEMBL_379936 (CHEMBL864856)	Inhibition at human Chk1 in presence of 4 uM ATP
50044031	1	ChEMBL_384212 (CHEMBL868582)	Binding affinity to human 5HT2A receptor
50044031	2	ChEMBL_384211 (CHEMBL868581)	Binding affinity to human 5HT2C receptor
50044031	3	ChEMBL_384213 (CHEMBL868583)	Binding affinity to human 5HT2B receptor
50044031	4	ChEMBL_384216 (CHEMBL868586)	Binding affinity to human 5HT1D receptor
50044031	5	ChEMBL_384218 (CHEMBL867335)	Binding affinity to human 5HT7 receptor
50044031	6	ChEMBL_384215 (CHEMBL868585)	Binding affinity to human 5HT1B receptor
50005921	3	ChEBML_206	Inhibitory concentration against human platelet 12-lipoxygenase
50005921	8	ChEMBL_206 (CHEMBL615240)	Inhibitory concentration against human platelet 12-lipoxygenase
50005921	10	ChEMBL_3980 (CHEMBL619253)	Inhibitory concentration against human platelet 5-lipoxygenase in human whole blood
50005921	4	ChEBML_225597	Inhibitory concentration against human platelet thromboxane synthetase
50044031	7	ChEMBL_384221 (CHEMBL866700)	Binding affinity to human dopamine D3 receptor
50044031	8	ChEMBL_384217 (CHEMBL867336)	Binding affinity to human 5HT6 receptor
50044031	9	ChEMBL_384214 (CHEMBL868584)	Binding affinity to human 5HT1A receptor
50017949	1	ChEMBL_395997 (CHEMBL910342)	Agonist activity at human MC4R
50017949	6	ChEMBL_395995 (CHEMBL910340)	Agonist activity at human MC3R
50017949	3	ChEMBL_395994 (CHEMBL910339)	Binding affinity to human MC3R
50017949	2	ChEMBL_395992 (CHEMBL910337)	Binding affinity to human MC1R
50005924	2	ChEMBL_208399 (CHEMBL815508)	Apparent Ki value was measured by competitive inhibition of Thymidylate Synthase from Ehrlich Carcinoma cells of mouse
50005924	4	ChEBML_208402	Apparent Ki value was measured by competitive inhibition of Thymidylate Synthases from L1210 cells of mouse
50005929	1	ChEBML_80662	Inhibition of rat liver microsomal HMG-CoA reductase
50017949	4	ChEMBL_395993 (CHEMBL910338)	Agonist activity at human MC1R
50017949	5	ChEMBL_395996 (CHEMBL910341)	Binding affinity to human MC4R
50005934	4	ChEBML_58796	The binding affinity was measured on dopamine receptor D1 using [3H]- dopamine as radioligand.
50005934	32	ChEBML_63056	The binding affinity was measured on dopamine receptor D2 using [3H]- spiperone as radioligand.
50005934	51	ChEMBL_1804 (CHEMBL616777)	The binding affinity was measured on 5-hydroxytryptamine 1B receptor using [3H]- serotonin as radioligand.
50005934	9	ChEBML_48613	The binding affinity was measured on cholecystokinin type B receptor using [3H]- CCK-8 as radioligand.
50005934	52	ChEMBL_220938 (CHEMBL824005)	The binding affinity was measured on kappa-opiate receptor using [3H]- EKC as radioligand.
50005934	44	ChEMBL_44707 (CHEMBL656596)	Inhibition of [3H]D-888 binding to L-type calcium channel verapamil site of rat brain
50005934	37	ChEBML_84718	The binding affinity was measured on histamine H1 receptor using [3H]- mepyramine as radioligand.
50005934	35	ChEBML_219281	The binding affinity was measured on glycine receptor using [3H]- strychnine as radioligand.
50005934	33	ChEBML_217861	The binding affinity was measured on delta-opiate receptor using [3H]- dadle as radioligand.
50005934	53	ChEMBL_47652 (CHEMBL657364)	The binding affinity was measured on cholecystokinin type A receptor using [3H]- CCK-8 as radioligand.
50005934	6	ChEBML_226563	The binding affinity was measured on sigma receptor using [3H]- (+)-3-PPP as radioligand.
50005934	54	ChEMBL_1868 (CHEMBL616837)	The binding affinity was measured on 5-hydroxytryptamine 1C receptor using [3H]- serotonin as radioligand.
50005934	55	ChEMBL_84718 (CHEMBL695166)	The binding affinity was measured on histamine H1 receptor using [3H]- mepyramine as radioligand.
50005934	31	ChEBML_225803	The binding affinity was measured on tryptamine receptor using [3H]- tryptamine as radioligand.
50005934	56	ChEMBL_1977 (CHEMBL617582)	The binding affinity was measured on 5-hydroxytryptamine 1D receptor using [3H]- serotonin as radioligand.
50005934	40	ChEBML_101221	The binding affinity was measured on muscarine M1 receptor using [3H]- pirenzepine as radioligand.
50005934	28	ChEBML_220938	The binding affinity was measured on kappa-opiate receptor using [3H]- EKC as radioligand.
50005934	24	ChEBML_1977	The binding affinity was measured on 5-hydroxytryptamine 1D receptor using [3H]- serotonin as radioligand.
50005934	12	ChEBML_222073	The binding affinity was measured on mu-opiate receptor using [3H]- naloxone as radioligand.
50005934	1	ChEBML_1868	The binding affinity was measured on 5-hydroxytryptamine 1C receptor using [3H]- serotonin as radioligand.
50005934	15	ChEBML_47652	The binding affinity was measured on cholecystokinin type A receptor using [3H]- CCK-8 as radioligand.
50005934	20	ChEBML_1804	The binding affinity was measured on 5-hydroxytryptamine 1B receptor using [3H]- serotonin as radioligand.
50005934	30	ChEBML_303	The binding affinity was measured on 5-hydroxytryptamine 4 receptor using [3H]- GR-113808 as radioligand.
50005934	57	ChEMBL_218511 (CHEMBL824134)	The binding affinity was measured on leukotriene-D4 receptor using [3H]- LTD4 as radioligand.
50005934	22	ChEBML_222580	The binding affinity was measured on muscarine M3 receptor using [3H]- N-Me-SCOPOL as radioligand.
50005934	11	ChEBML_218511	The binding affinity was measured on leukotriene-D4 receptor using [3H]- LTD4 as radioligand.
50005934	41	ChEMBL_98899 (CHEMBL709391)	The binding affinity was measured on muscarine M2 receptor using [3H]- N-Me-SCOPOL as radioligand.
50005934	58	ChEMBL_226563 (CHEMBL848642)	The binding affinity was measured on sigma receptor using [3H]- (+)-3-PPP as radioligand.
50005934	59	ChEMBL_86910 (CHEMBL698420)	The binding affinity was measured on histamine H3 receptor using [3H]- N-Me-histam as radioligand.
50005934	60	ChEMBL_217861 (CHEMBL822184)	The binding affinity was measured on delta-opiate receptor using [3H]- dadle as radioligand.
50005934	38	ChEBML_217144	The binding affinity was measured on alpha-2-adrenergic receptor using [3H]- clonidine as radioligand.
50005934	61	ChEMBL_58796 (CHEMBL667038)	The binding affinity was measured on dopamine receptor D1 using [3H]- dopamine as radioligand.
50005934	42	ChEMBL_216055 (CHEMBL820731)	The binding affinity was measured on beta-1,2-adrenergic receptor using [3H]- DHA as radioligand.
50017956	2	ChEMBL_396129 (CHEMBL910350)	Enhancement of [35S]GTP-gamma-S binding to human KOR expressed in CHO cells
50005934	26	ChEBML_140337	The binding affinity was measured on NMDA receptor using [3H]- CGS-19755 as radioligand.
50017956	1	ChEMBL_396128 (CHEMBL910349)	Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells
50005934	62	ChEMBL_303 (CHEMBL615278)	The binding affinity was measured on 5-hydroxytryptamine 4 receptor using [3H]- GR-113808 as radioligand.
50005934	63	ChEMBL_1453 (CHEMBL616576)	The binding affinity was measured on 5-hydroxytryptamine 1A receptor using [3H]- 8-OH-DPAT as radioligand.
50005934	3	ChEBML_1453	The binding affinity was measured on 5-hydroxytryptamine 1A receptor using [3H]- 8-OH-DPAT as radioligand.
50005934	64	ChEMBL_222073 (CHEMBL843464)	The binding affinity was measured on mu-opiate receptor using [3H]- naloxone as radioligand.
50005934	65	ChEMBL_217144 (CHEMBL822820)	The binding affinity was measured on alpha-2-adrenergic receptor using [3H]- clonidine as radioligand.
50005934	2	ChEBML_207481	The binding affinity was measured on TRH receptor using [3H]- MeTRH as radioligand.
50005934	23	ChEBML_62899	The binding affinity was measured on dopamine receptor D3 using [3H]- dopamine as radioligand.
50005934	66	ChEMBL_140337 (CHEMBL749581)	The binding affinity was measured on NMDA receptor using [3H]- CGS-19755 as radioligand.
50005934	21	ChEBML_86910	The binding affinity was measured on histamine H3 receptor using [3H]- N-Me-histam as radioligand.
50005934	67	ChEMBL_225803 (CHEMBL845151)	The binding affinity was measured on tryptamine receptor using [3H]- tryptamine as radioligand.
50005934	68	ChEMBL_88909 (CHEMBL699811)	The binding affinity was measured on imidazoline I2 receptor using [3H]- indazoxan as radioligand.
50005934	45	ChEMBL_2988 (CHEMBL621505)	Compound was evaluated for binding affinity against 5-hydroxytryptamine 3 receptor
50018168	6	ChEMBL_405870 (CHEMBL909168)	Inhibition of wild type HIV1 integrase 3' processing step
50018168	5	ChEMBL_405871 (CHEMBL909169)	Inhibition of wild type HIV1 integrase strand transfer step
50018168	2	ChEMBL_405874 (CHEMBL909173)	Inhibition of HIV1 integrase C130S mutant 3' processing step
50018168	8	ChEMBL_405872 (CHEMBL909170)	Inhibition of soluble HIV1 integrase F185K/C280S mutant strand transfer step
50018168	4	ChEMBL_405876 (CHEMBL909175)	Inhibition of mutant HIV1 integrase C130A mutant 3' processing step
50018168	3	ChEMBL_405877 (CHEMBL909171)	Inhibition of soluble HIV1 integrase F182K/ C280S mutant 3' processing step
50005940	2	ChEBML_35414	Displacement of [1251][Sar1,IIe8]AII from rat midbrain angiotensin II (AT2) receptor
50018168	7	ChEMBL_405873 (CHEMBL909172)	Inhibition of HIV1 integrase C130S mutant strand transfer step
50018168	1	ChEMBL_405875 (CHEMBL909174)	Inhibition of HIV1 integrase C130A mutant strand transfer step
50018163	1	ChEMBL_406042 (CHEMBL912146)	Transactivation of LXRbeta by luciferase reporter gene assay
50018163	2	ChEMBL_406040 (CHEMBL912144)	Binding affinity to LXRbeta by radioligand displacement assay
50018163	3	ChEMBL_406041 (CHEMBL912145)	Transactivation of LXRalpha by luciferase reporter gene assay
50018163	4	ChEMBL_406039 (CHEMBL912135)	Binding affinity to LXRalpha by radioligand displacement assay
50005947	1	ChEBML_217263	Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells
50037775	1	ChEMBL_411464 (CHEMBL853861)	Displacement of [125I]motilin from human MOTR
50037775	2	ChEMBL_411465 (CHEMBL853862)	Activity at human MOTR expressed in CHO cells assessed as inhibition of motilin-induced calcium release
50018816	2	ChEMBL_411959 (CHEMBL908401)	Inhibitory activity against hERG by patch-clamp assay
50018819	2	ChEMBL_412199 (CHEMBL908894)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex
50041464	2	ChEMBL_412858 (CHEMBL910631)	Displacement of [125I]human urotensin-2 from human GPR14 transfected in CHO cells
50041465	9	ChEMBL_412942 (CHEMBL910642)	Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells
50041465	7	ChEMBL_412940 (CHEMBL910638)	Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells
50041465	6	ChEMBL_412941 (CHEMBL910640)	Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expressed in CHO cells
50041465	8	ChEMBL_412943 (CHEMBL910643)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus
50005948	2	ChEBML_195961	Inhibitory concentration of compound against renin human plasma
50005950	3	ChEBML_144611	Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney
50005953	1	ChEBML_70359	In vitro inhibitory activity against partially purified GMP synthetase in L1210 cells
50005954	2	ChEMBL_223465 (CHEMBL844877)	Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna
50005957	2	ChEBML_3921	In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined
50018289	6	ChEMBL_420097 (CHEMBL873739)	Inhibition of MEK-1 activity
50018289	9	ChEMBL_420098 (CHEMBL873740)	Inhibitory activity against MEK-1
50018289	8	ChEMBL_420100 (CHEMBL873742)	Inhibition of MEK-1
50018289	7	ChEMBL_420097 (CHEMBL873739)	Inhibition of MEK-1 activity
50018170	1	ChEMBL_420096 (CHEMBL912713)	Inhibition of Aurora A
50018821	1	ChEMBL_420145 (CHEMBL912715)	Inhibitory potency towards human cAPK C alpha in the presence of 100 uM ATP and 30 uM TAMRA-kemptide
50018907	10	ChEMBL_420186 (CHEMBL912729)	Inhibition of human VEGFR3
50018907	13	ChEMBL_420175 (CHEMBL912718)	Inhibition of human Ins-R
50018907	6	ChEMBL_420181 (CHEMBL912724)	Inhibition of human Aurora-B
50019003	7	ChEMBL_421070 (CHEMBL854907)	Inhibition of MCH-mediated calcium influx into MCH-R1 expressing cells
50019003	3	ChEMBL_421069 (CHEMBL854906)	Displacement of 125I-[Phe13,Tyr19]-MCH from MCH-R1 expressing cell membranes
50019064	3	ChEMBL_421480 (CHEMBL854909)	Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
50019064	2	ChEMBL_420606 (CHEMBL854891)	Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates
50018263	2	ChEMBL_421230 (CHEMBL856552)	Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1
50018263	3	ChEMBL_421232 (CHEMBL856554)	Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1
50005965	4	ChEMBL_99495 (CHEMBL705025)	Tested for inhibition of specific binding of [3H]LTB4 to guinea pig lung membranes expressing LTB4 receptor
50005966	1	ChEBML_35286	Binding affinity towards Angiotensin II receptor, type 2 in rat isolated adrenal medullary microsomes
50005966	3	ChEMBL_29023 (CHEMBL646028)	Binding affinity towards angiotensin II AT2 receptor subtype was determined using rat isolated adrenal cortical microsomes
50018266	2	ChEMBL_421373 (CHEMBL856555)	Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1
50018266	3	ChEMBL_421374 (CHEMBL856556)	Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing rat MCH-R1
50018266	1	ChEMBL_421376 (CHEMBL856558)	Displacement of 125I-[Phe13,Tyr19]-MCH from rat MCH-R1
50005967	9	ChEMBL_145031 (CHEMBL753725)	Tested against rat uterine OT receptor
50018164	1	ChEMBL_421986 (CHEMBL856548)	Binding activity against human MCH-R1
50018164	2	ChEMBL_421987 (CHEMBL856549)	Inhibition of MCH-mediated calcium release by CHO cells expressing human MCH-R1
50019091	4	ChEMBL_422037 (CHEMBL908241)	In vitro inhibition of FAP, seprase
50018992	1	ChEMBL_422120 (CHEMBL908234)	Inhibitory constant against FAP
50044032	2	ChEMBL_422127 (CHEMBL908248)	Inhibition of maize HD2 (mean)
50044032	3	ChEMBL_422121 (CHEMBL908242)	Inhibition of mouse HDAC1 (mean)
50044032	1	ChEMBL_422122 (CHEMBL908243)	Inhibition of maize HD1-A (mean)
50005967	1	ChEBML_145029	Tested against human uterine OT receptor
50044032	4	ChEMBL_422128 (CHEMBL908249)	Inhibition of maize HD1-B (mean)
50018897	1	ChEMBL_422527 (CHEMBL855643)	Binding affinity to human D2S receptor
50018897	6	ChEMBL_422463 (CHEMBL911046)	Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
50018897	3	ChEMBL_422469 (CHEMBL910422)	Agonist activity at human D2 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
50018897	9	ChEMBL_422483 (CHEMBL910435)	Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane
50018897	10	ChEMBL_422482 (CHEMBL910434)	Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane
50018897	5	ChEMBL_422484 (CHEMBL910436)	Displacement of [3H]spiperone from human D4 receptor expressed in HEK293 cell membrane
50018897	4	ChEMBL_422467 (CHEMBL910419)	Agonist activity at ferret D4 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
50018897	8	ChEMBL_422470 (CHEMBL910423)	Agonist activity at ferret D2 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR
50044033	1	ChEMBL_430112 (CHEMBL919590)	Activity at human dopamine D2 receptor in NIH/3T3 cells assessed as beta-galactosidase activity after 5 days by R-SAT assay
50018633	1	ChEMBL_432311 (CHEMBL915571)	Inhibition of HIV1 integrase-mediated 3'-processing activity
50018633	2	ChEMBL_432312 (CHEMBL915572)	Inhibition of HIV1 integrase-mediated integration activity
50037874	1	ChEMBL_434265 (CHEMBL918425)	Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membrane
50037889	2	ChEMBL_436641 (CHEMBL904951)	Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum
50037889	1	ChEMBL_436647 (CHEMBL904957)	Inhibition of [3H]DA uptake at DAT in Sprague-Dawley rat striatum
50037889	3	ChEMBL_436642 (CHEMBL904952)	Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue
50037889	4	ChEMBL_436643 (CHEMBL904953)	Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum
50005969	1	ChEMBL_29299 (CHEMBL640360)	Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]CHA in whole rat brain membranes at 25 degree C
50037902	3	ChEMBL_438133 (CHEMBL887263)	Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay
50037908	3	ChEMBL_438493 (CHEMBL887593)	Inhibition of PKCalpha
50042259	1	ChEMBL_438962 (CHEMBL889305)	Inhibition of BRL-49653 stimulated human PPARgamma transactivation in CV-1 cells by GAL4 reporter assay
50005972	1	ChEMBL_34819 (CHEMBL648963)	Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation
50042259	3	ChEMBL_438961 (CHEMBL889303)	Transactivation of human PPARgamma in CV-1 cells by GAL4 reporter assay
50042259	2	ChEMBL_438960 (CHEMBL889304)	Displacement of [3H]BRL49653 from PPARgamma by scintillation proximity assay
50037916	3	ChEMBL_438968 (CHEMBL889312)	Blockade of hERG expressed in HEK293 cells by whole-cell patch clamp method
50037916	1	ChEMBL_438966 (CHEMBL889314)	Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay
50037916	2	ChEMBL_438965 (CHEMBL889315)	Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA
50041499	3	ChEMBL_439005 (CHEMBL889351)	Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 cells
50041499	5	ChEMBL_439002 (CHEMBL889348)	Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells
50041499	4	ChEMBL_439004 (CHEMBL889350)	Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in PC3 cells
50041499	2	ChEMBL_439007 (CHEMBL889353)	Displacement of [125I]BH-CCK8-8S from CCK2 receptor in canine gastric mucosa
50019990	1	ChEMBL_443559 (CHEMBL893816)	Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins
50019990	10	ChEMBL_443560 (CHEMBL893817)	Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins
50019990	5	ChEMBL_443552 (CHEMBL893809)	Inhibition of human CYP2A6 expressed in insect microsome after 15 mins
50019990	11	ChEMBL_443549 (CHEMBL893807)	Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay
50020830	6	ChEMBL_444830 (CHEMBL895081)	Agonistic potency at human adrenergic alpha-2B receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation
50020830	4	ChEMBL_444828 (CHEMBL895079)	Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells
50005978	1	ChEMBL_63602 (CHEMBL676146)	Inhibition of EGF-dependent DNA synthesis in ER 22 cells incubated with [3H]TdR
50005978	4	ChEMBL_63603 (CHEMBL676147)	Inhibition of EGF-dependent DNA synthesis in EGF-receptor expressing ER22 cells
50005985	5	ChEMBL_55134 (CHEMBL884431)	Tested for inhibition against rat liver DHFR (dihydrofolate reductase)
50005985	8	ChEMBL_54962 (CHEMBL666693)	Inhibition against rat liver Dihydrofolate reductase
50005985	6	ChEMBL_55133 (CHEMBL668778)	Tested for inhibition against Dihydrofolate reductase from Toxoplasma gondii
50037952	6	ChEMBL_444842 (CHEMBL895097)	Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation
50005993	1	ChEMBL_35406 (CHEMBL647505)	In vitro antagonist activity against angiotensin II receptor type 2 in rat midbrain using [125I]-Sar,Ile AII.
50037952	1	ChEMBL_444840 (CHEMBL895095)	Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation
50037952	2	ChEMBL_444839 (CHEMBL895094)	Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells
50037952	4	ChEMBL_444838 (CHEMBL895093)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50020832	1	ChEMBL_444869 (CHEMBL894019)	Antagonist activity at human thromboxane A2 receptor isoform beta expressed in HEK293 cells assessed as inhibition of U46619-induced calcium mobilization
50020832	2	ChEMBL_444868 (CHEMBL894018)	Antagonist activity at human thromboxane A2 receptor isoform alpha expressed in HEK293 cells assessed as inhibition of U46619-induced calcium mobilization
50005994	2	ChEMBL_35291 (CHEMBL647855)	In vitro antagonist activity against angiotensin II type 2 (AT2) receptor in rat midbrain using [125I]- Sar, Ile AII.
50041507	5	ChEMBL_446293 (CHEMBL895396)	Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells
50044034	1	ChEMBL_448551 (CHEMBL897700)	Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells
50044034	2	ChEMBL_448555 (CHEMBL897704)	Agonist activity at NK2 receptor in guinea pig smooth muscle
50044035	1	ChEMBL_461883 (CHEMBL929019)	Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells
50044035	2	ChEMBL_461880 (CHEMBL929016)	Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells
50044035	3	ChEMBL_461882 (CHEMBL929018)	Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells
50020943	5	ChEMBL_448900 (CHEMBL898050)	Agonist activity at progesterone receptor expressed in T47D cells by alkaline phosphatase assay
50020943	6	ChEMBL_448901 (CHEMBL898051)	Antagonist activity at progesterone receptor expressed in T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50020943	4	ChEMBL_448905 (CHEMBL898140)	Agonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay
50020943	1	ChEMBL_448904 (CHEMBL898139)	Antagonist activity at androgen receptor expressed in A549 cells by HRE-tk luciferase assay
50020943	7	ChEMBL_448918 (CHEMBL898046)	Binding affinity to cytosolic PR in T47D cells by competition binding assay
50021095	5	ChEMBL_449389 (CHEMBL899656)	Binding affinity at human adrenergic beta2 receptor
50021095	2	ChEMBL_449379 (CHEMBL899645)	Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as inhibition of 5-HT-stimulated [35S]GTP-gamma-S binding
50021095	3	ChEMBL_449378 (CHEMBL899647)	Displacement of [3H]DPAT from human 5HT1A receptor
50021095	1	ChEMBL_449382 (CHEMBL899650)	Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as 5-HT-stimulated [35S]GTPgammaS binding
50021096	2	ChEMBL_449391 (CHEMBL899659)	Displacement of [3H]mibolerone from human androgen receptor expressed in CHOK1 cells
50021096	1	ChEMBL_449393 (CHEMBL899661)	Antagonist activity at human androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone induced transcriptional activity by reporter gene assay
50021692	2	ChEMBL_452277 (CHEMBL901432)	Inhibition of human recombinant NQO1
50021692	1	ChEMBL_452278 (CHEMBL901433)	Inhibition of human recombinant NQO1 in presence of BSA
50018486	3	ChEMBL_453037 (CHEMBL902184)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of calcium uptake
50018486	1	ChEMBL_453036 (CHEMBL902183)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50018486	2	ChEMBL_453038 (CHEMBL902185)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake
50018846	2	ChEMBL_453490 (CHEMBL885484)	Inhibition of human recombinant GST-IGF1R activity
50018846	1	ChEMBL_453491 (CHEMBL885485)	Inhibition of IGF1-stimulated phosphorylation of human recombinant IGF1R expressed in NIH3T3 cells
50005998	7	ChEMBL_49504 (CHEMBL662799)	Inhibition of human fibroblast collagenase
50038011	2	ChEMBL_454009 (CHEMBL903196)	Activity at rat mGluR5 expressed in CHO cells assessed as potentiation of glutamate response by FLIPR assay
50005998	10	ChEMBL_49514 (CHEMBL660238)	Inhibition of human fibroblast collagenase
50005998	9	ChEMBL_71652 (CHEMBL687542)	Inhibition of human fibroblast gelatinase A at pH 7.5
50038011	1	ChEMBL_454007 (CHEMBL903194)	Activity at human mGluR5 expressed in CHO cells assessed as potentiation of glutamate response by FLIPR assay
50006000	3	ChEMBL_62748 (CHEMBL674589)	Tested for binding affinity against dopamine receptor D3
50006000	1	ChEMBL_62744 (CHEMBL674585)	Binding affinity was tested against dopamine receptor D3 in Sf9 cells
50006000	2	ChEMBL_62747 (CHEMBL674588)	Binding affinity was tested against dopamine receptor D3 in the absence of NaCl
50006001	2	ChEMBL_88441 (CHEMBL701910)	Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after pre-incubation for 10 minutes
50006001	1	ChEMBL_88442 (CHEMBL873205)	Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after pre-incubation for 10 minutes
50006001	3	ChEMBL_88440 (CHEMBL701909)	Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after pre-incubation for 10 minutes
50042270	1	ChEMBL_454010 (CHEMBL903197)	Inhibition of [3H]glycine uptake in human GlyT1c expressed in HEK293 cells
50019207	2	ChEMBL_454025 (CHEMBL903212)	Inhibition of ACC2
50019452	3	ChEMBL_454477 (CHEMBL886503)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membrane
50041524	1	ChEMBL_454494 (CHEMBL886520)	Inhibition of integrin alpha-v-beta-3 receptor-mediated human SK-MEL-24 cell adhesion to fibronectin by fluorimetry
50041530	1	ChEMBL_458087 (CHEMBL924349)	Inhibition of alpha-4-beta-2 nAChR
50021468	1	ChEMBL_458533 (CHEMBL942791)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx
50021468	2	ChEMBL_458532 (CHEMBL942790)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx
50006010	1	ChEMBL_49501 (CHEMBL662796)	Inhibition of degradation of radiolabeled rat skin type I collagen by semipurified human lung fibroblast collagenase
50006015	1	ChEMBL_72451 (CHEMBL686006)	Inhibitory activity was measured on recombinant human Glutathione S-transferase P
50006015	4	ChEMBL_72448 (CHEMBL682618)	Inhibitory activity was measured on recombinant human Glutathione S-transferase Mu 1
50006015	3	ChEMBL_72447 (CHEMBL682617)	Inhibitory activity was measured on recombinant human Glutathione-S-transferase M1a enzyme
50006015	5	ChEMBL_72449 (CHEMBL682619)	Inhibitory activity was measured on recombinant human Glutathione S-transferase Mu 2
50006015	2	ChEMBL_72446 (CHEMBL682616)	Inhibitory activity was measured on recombinant human Glutathione-S-transferase A1 enzyme
50021470	2	ChEMBL_458544 (CHEMBL942802)	Displacement of [125I]D-Trp from human GnRH receptor expressed in HEK cells
50021470	1	ChEMBL_458546 (CHEMBL942804)	Antagonist activity at GnRH receptor expressed in AP Han Wistar rat primary pituitary cells assessed as inhibition of GnRH stimulated LH release after 24 hrs
50021470	4	ChEMBL_458545 (CHEMBL942803)	Displacement of [125I]D-Trp from rat GnRH receptor
50019782	1	ChEMBL_458963 (CHEMBL925057)	Inhibition of Candida albicans N-myristoyltransferse
50038065	1	ChEMBL_460022 (CHEMBL943141)	Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cells
50038068	3	ChEMBL_460662 (CHEMBL926736)	Displacement of [3H]MPEP from rat mGluR5
50038068	2	ChEMBL_460661 (CHEMBL926735)	Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate
50006018	1	ChEMBL_205500 (CHEMBL810392)	Inhibition of recombinant stromelysin catalytic domain (SCD)
50021463	2	ChEMBL_461354 (CHEMBL927359)	Inhibition of human recombinant MMP9
50044035	5	ChEMBL_461884 (CHEMBL929020)	Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells
50044035	4	ChEMBL_461881 (CHEMBL929017)	Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells
50006026	1	ChEMBL_852 (CHEMBL615908)	In vitro ability to inhibit binding of radioligand [3H]8-OH-DPAT to 5-hydroxytryptamine 1A receptor in rat cerebral cortex
50006026	3	ChEMBL_61434 (CHEMBL671407)	Inhibition of binding of radioligand [3H]spiroperidol to dopamine D2 receptor in rat striatal membranes
50044050	2	ChEMBL_938513 (CHEMBL2327197)	Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
50022502	1	ChEMBL_462870 (CHEMBL928788)	Inhibition of p38alpha
50022519	1	ChEMBL_462928 (CHEMBL929862)	Displacement of [125I]IL8 from human CXCR2 by SPA assay
50022534	3	ChEMBL_462940 (CHEMBL929874)	Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control
50022534	8	ChEMBL_462958 (CHEMBL929892)	Inhibition of VEGFR3
50022534	6	ChEMBL_462969 (CHEMBL928886)	Inhibition of IR
50022534	1	ChEMBL_462939 (CHEMBL929873)	Inhibition of human recombinant VEGFR2 by HTRF assay
50038089	1	ChEMBL_462971 (CHEMBL928889)	Antagonist activity at human cloned CXCR2 by calcium flux FLIPR assay
50038089	2	ChEMBL_462970 (CHEMBL928888)	Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay
50022545	2	ChEMBL_462991 (CHEMBL928912)	Inhibition of erbB2
50022545	4	ChEMBL_462992 (CHEMBL928913)	Inhibition of EGFR
50038213	1	ChEMBL_466898 (CHEMBL935786)	Inhibition of cruzain in presence of 0.01% Triton X-100
50038213	2	ChEMBL_466897 (CHEMBL935785)	Inhibition of cruzain
50006033	1	ChEMBL_201739 (CHEMBL803935)	Tested in vitro for the concentration required to inhibit specific [3H]DTG radioligand binding to sigma receptor on guinea pig brain membrane
50038231	1	ChEMBL_467653 (CHEMBL936676)	Inhibition of Mycobacterium tuberculosis H37RV InhA
50038231	3	ChEMBL_467649 (CHEMBL936672)	Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA
50000857	5	ChEBML_1696474	Inhibition of PIM3 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay
50038231	2	ChEMBL_467650 (CHEMBL936673)	Inhibition of 1 nM Mycobacterium tuberculosis H37RV InhA
50000857	1	ChEBML_1696473	Inhibition of PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay
50000857	6	ChEMBL_1696493 (CHEMBL4047383)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50000857	8	ChEMBL_1696477 (CHEMBL4047367)	Inhibition of human ERG by patch clamp assay
50000857	9	ChEMBL_1696494 (CHEMBL4047384)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50000857	2	ChEBML_1696472	Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay
50038272	1	ChEMBL_468821 (CHEMBL932061)	Inhibition of human DPP4
50038272	2	ChEMBL_468822 (CHEMBL932062)	Inhibition of DPP4 in human plasma by fluorescence assay
50038342	1	ChEMBL_470457 (CHEMBL951301)	Binding affinity to fibronectin using surface plasmon resonance imaging sensor method
50038365	4	ChEMBL_471787 (CHEMBL939995)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50038365	2	ChEMBL_471790 (CHEMBL939998)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells
50006038	1	ChEMBL_30797 (CHEMBL645073)	Compound was tested for the inhibition of adenosine deaminase from calf intestinal mucosa
50038401	2	ChEMBL_474621 (CHEMBL936722)	Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as [3H]cAMP levels by radiolabeled ligand based assay
50038401	1	ChEMBL_474618 (CHEMBL936719)	Agonist activity at human adrenergic beta-3 receptor expressed in CHO cells assessed as cAMP levels by DELFIA method
50038458	5	ChEMBL_477722 (CHEMBL927020)	Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay
50038458	8	ChEMBL_477720 (CHEMBL931369)	Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2
50038458	3	ChEMBL_477695 (CHEMBL931370)	Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay
50038458	2	ChEMBL_477694 (CHEMBL931371)	Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2 by competitive inhibition assay
50038458	9	ChEMBL_477723 (CHEMBL927021)	Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2 by competitive inhibition assay
50038458	1	ChEMBL_477692 (CHEMBL931372)	Inhibition of Trypanosoma cruzi hexokinase in presence of ATP, 2 mM D-glucose and 3 mM MgCl2
50038458	4	ChEMBL_477721 (CHEMBL927019)	Inhibition of glycosomal Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2
50038458	6	ChEMBL_477724 (CHEMBL927022)	Inhibition of Trypanosoma cruzi hexokinase
50006042	2	ChEMBL_65826 (CHEMBL877809)	Ability to inhibit [125I]ET1 binding to vascular smooth muscle (vsm)- A10 cells
50006042	5	ChEMBL_65828 (CHEMBL682961)	Antagonism of ET1 induced increase in intracellular Ca+2 in rabbit carotid artery rings
50006042	4	ChEMBL_63373 (CHEMBL676109)	Selectivity for the ET-A receptor over ETB receptor was observed in rat cerebellar membranes
50038458	7	ChEMBL_477693 (CHEMBL931373)	Inhibition of Trypanosoma cruzi hexokinase in presence of D-glucose, 1 mM ATP and 3 mM MgCl2
50038479	3	ChEMBL_478884 (CHEMBL937355)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclase
50006052	1	ChEMBL_202275 (CHEMBL814043)	Tested in vitro in rat liver squalene synthase assay (RLSS)
50038529	1	ChEMBL_480038 (CHEMBL927977)	Inhibition of lymphoid specific tyrosine phosphatase
50038530	3	ChEMBL_480041 (CHEMBL927980)	Inhibition of Lyn
50038530	1	ChEMBL_480039 (CHEMBL927978)	Inhibition of PKCtheta
50038530	10	ChEMBL_480050 (CHEMBL927989)	Inhibition of PKCtheta in wild type T-cell assessed as blockade of anti CD3-stimulated IL2 production
50038530	5	ChEMBL_480044 (CHEMBL927983)	Inhibition of PKCeta
50038530	2	ChEMBL_480040 (CHEMBL927979)	Inhibition of PKCdelta
50038531	1	ChEMBL_480054 (CHEMBL933576)	Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor
50038531	2	ChEMBL_480061 (CHEMBL933583)	Activity at NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response
50038531	5	ChEMBL_480064 (CHEMBL929340)	Inhibition of N-terminal domain truncated NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response
50038531	4	ChEMBL_480063 (CHEMBL933585)	Inhibition of NR1/NR2A receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response
50038531	3	ChEMBL_480059 (CHEMBL933581)	Inhibition of NR1/NR2B receptor expressed in xenopus oocytes assessed as effect on L-glutamate and glycine-induced current response
50006061	1	ChEBML_223118	In vitro inhibitory activity against ADP-induced human platelet aggregation
50023000	1	ChEMBL_551180 (CHEMBL997399)	Inhibition of human intestinal sucrase in human Caco-2 cell membrane
50038556	3	ChEMBL_481473 (CHEMBL995706)	Binding affinity to COX1 in sheep seminal vesicle
50038556	2	ChEMBL_481469 (CHEMBL995702)	Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assay
50038556	1	ChEMBL_481468 (CHEMBL995701)	Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assay
50006064	5	ChEBML_62872	Displacement of [3H]spiperone from dopamine receptor D2
50006064	2	ChEMBL_1203 (CHEMBL615969)	In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO cells (sc)
50006064	4	ChEBML_59891	In vitro binding affinity against dopamine receptor D2 using [3H]raclopride as radioligand in CHO cells (sc)
50006064	1	ChEMBL_1204 (CHEMBL615970)	In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT (agonist) as radioligand (sc)
50006070	2	ChEBML_44890	In vitro inhibition of purified human erythrocyte carbonic anhydrase II
50006070	1	ChEMBL_47315 (CHEMBL661386)	In vitro inhibition of crude dog red blood cell carbonic anhydrase
50025904	1	ChEMBL_532962 (CHEMBL989632)	Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis
50006073	1	ChEBML_34826	Inhibition of [125I]angiotensin-II binding to the angiotensin II receptor type 1 in rat uterine membranes
50025744	2	ChEMBL_529942 (CHEMBL975013)	Displacement of [3H]spiperone from rat dopamine D2 receptor in brain striatal membrane
50025744	1	ChEMBL_529941 (CHEMBL975012)	Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells
50044036	1	ChEMBL_527250 (CHEMBL972810)	Inhibition of pancreatic lipase assessed as umoles of oleic acic released per millimiter of triolein per hour
50038614	1	ChEMBL_547440 (CHEMBL1029255)	Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production
50044037	1	ChEMBL_548421 (CHEMBL1030955)	Inhibition of thrombin
50038653	2	ChEMBL_510408 (CHEMBL1003084)	Binding affinity to human wild type Mdm2 by NMR ligand-protein binary titration
50038653	1	ChEMBL_510407 (CHEMBL1003083)	Binding affinity to human wild type Mdm2 by isothermal titration calorimetry
50026821	2	ChEMBL_512869 (CHEMBL972582)	Inhibition of DNA-dependent protein kinase
50006075	2	ChEMBL_901 (CHEMBL615812)	Binding affinity against [3H]- -8-OH-DPAT -labeled 5-hydroxytryptamine 1A sites in cloned CHO cells
50006075	3	ChEMBL_902 (CHEMBL615751)	Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50006078	6	ChEMBL_158902 (CHEMBL760889)	Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes
50006078	8	ChEBML_51346	Binding affinity for Cytochrome P450 19A1
50006078	11	ChEBML_223457	Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes
50006078	1	ChEMBL_217359 (CHEMBL822873)	Binding affinity for corticoid 11-beta-hydroxylase
50006078	2	ChEBML_218499	Inhibition of lanosterol 14-alpha-demethylase in hamster hepatic microsomes
50006078	9	ChEBML_48191	Binding affinity for corticoid 11-beta-hydroxylase
50006078	4	ChEMBL_218503 (CHEMBL824126)	Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes
50006078	14	ChEMBL_216882 (CHEMBL878030)	Binding affinity for cholesterol 17-alpha-hydroxylase
50006085	9	ChEBML_222063	Tested for in vitro inhibition of the displacement of [3H]FOXY from mu opioid receptor
50006085	6	ChEBML_68738	Tested for in vitro inhibition of the displacement of [3H]mazindol from GABA receptor
50006085	5	ChEBML_226538	Tested for in vitro inhibition of the displacement of (+)-[3H]pentazocine from sigma opioid receptor
50038670	3	ChEMBL_491870 (CHEMBL946207)	Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome
50038670	2	ChEMBL_491869 (CHEMBL946206)	Inhibition of serotonin uptake at SERT in rat brain synaptosome
50038670	1	ChEMBL_491868 (CHEMBL946205)	Inhibition of norepinephrine uptake at NET in rat brain synaptosome
50026315	1	ChEMBL_491881 (CHEMBL946411)	Increase in mouse VDR-mediated transcriptional activity in african green monkey COS7 cells after 24 hrs by luciferase assay
50026316	2	ChEMBL_491885 (CHEMBL946415)	Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells by [35S]GTPgammaS binding assay
50026316	1	ChEMBL_491886 (CHEMBL946416)	Displacement of [125I]CCl22 from human CCR4 receptor expressed in mouse B300-19 cells by SPA
50038675	2	ChEMBL_487380 (CHEMBL1021907)	Displacement of MK-499 from human ERG channel in HEK293 cells
50038675	1	ChEMBL_487377 (CHEMBL1021904)	Binding affinity to human bradykinin B1 receptor
50027503	2	ChEMBL_536038 (CHEMBL991608)	Displacement of [125I]exendin(9-39) from human GLP1R expressed in HEK293 cells
50027503	1	ChEMBL_536039 (CHEMBL991609)	Activation of human GLP1R expressed in HEK293 cells assessed as effect on cAMP responsive element promoter driven luciferase expression
50006087	1	ChEBML_1867	Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]mesulergine as radioligand
50006087	5	ChEBML_1439	Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]8-OH-DPAT as radioligand
50006087	4	ChEBML_58991	Tested for binding affinity against dopamine receptor D1
50026919	2	ChEMBL_513186 (CHEMBL977316)	Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3)
50006087	3	ChEBML_61306	Tested for binding affinity against dopamine receptor D2
50027211	1	ChEMBL_539729 (CHEMBL1032355)	Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRbeta ligand binding domain
50027211	5	ChEMBL_539757 (CHEMBL1034975)	Activation of LXRbeta by GAL4 reporter gene assay
50027211	4	ChEMBL_539756 (CHEMBL1034974)	Activation of LXRalpha by GAL4 reporter gene assay
50038730	3	ChEMBL_539764 (CHEMBL1034982)	Inhibition of Toxoplasma gondii thymidylate synthase
50038730	4	ChEMBL_539763 (CHEMBL1034981)	Inhibition of human recombinant DHFR
50038730	2	ChEMBL_539762 (CHEMBL1034980)	Inhibition of Escherichia coli thymidylate synthase
50038730	6	ChEMBL_539766 (CHEMBL1034984)	Inhibition of Toxoplasma gondii DHFR
50038741	4	ChEMBL_496151 (CHEMBL1000140)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum
50030242	2	ChEMBL_519456 (CHEMBL950882)	Antagonist activity at human CCR1 in THP1 cells assessed as inhibition of MIP-1-alpha-induced chemotaxis after 3 hrs
50030242	1	ChEMBL_519455 (CHEMBL950881)	Displacement of [125I]MIP-1-alpha from human recombinant CCR1 expressed in HEK293 cells
50038751	1	ChEMBL_519471 (CHEMBL951777)	Inhibition of human PNP by xanthine-oxidase coupled assay
50030245	9	ChEMBL_514926 (CHEMBL972652)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive KinaseGlo Plus luminescent assay
50030245	4	ChEMBL_514919 (CHEMBL972645)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay
50030245	5	ChEMBL_514921 (CHEMBL972647)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay
50030245	1	ChEMBL_514917 (CHEMBL972643)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive inhibition assay
50030245	10	ChEMBL_514927 (CHEMBL972653)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive KinaseGlo Plus Max luminescent assay
50030245	6	ChEMBL_514915 (CHEMBL972641)	Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by noncompetitive KinaseGlo luminescent assay
50027955	10	ChEMBL_519333 (CHEMBL947785)	Inhibition of Chk1
50025700	5	ChEMBL_497349 (CHEMBL999388)	Inhibition of human recombinant CYP1A2
50025700	4	ChEMBL_497351 (CHEMBL999390)	Inhibition of human recombinant CYP2C9
50025700	1	ChEMBL_497352 (CHEMBL999391)	Inhibition of human recombinant CYP2D6
50025700	3	ChEMBL_497350 (CHEMBL999389)	Inhibition of human recombinant CYP3A4
50027188	4	ChEMBL_492707 (CHEMBL938507)	Displacement of [3H]MADAM from SERT in rat brain cortex membrane
50028223	1	ChEMBL_566229 (CHEMBL963310)	Displacement of [125I]CXCL8 from CXCR1 receptor in human PMN assessed as myeloperoxidase release
50028223	4	ChEMBL_566230 (CHEMBL963311)	Displacement of [125I]CXCL1 from CXCR2 receptor in human PMN assessed as myeloperoxidase release
50028229	2	ChEMBL_566235 (CHEMBL964136)	Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cells
50028229	1	ChEMBL_566236 (CHEMBL964137)	Antagonist activity at human androgen receptor expressed in human MDA-MB453 cells by luciferase reporter gene assay
50028321	2	ChEMBL_566697 (CHEMBL961689)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis
50038792	1	ChEMBL_566717 (CHEMBL961709)	Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption
50006095	2	ChEBML_209624	Tested for inhibition against thymidylate synthase (TS) in human
50028523	3	ChEMBL_562970 (CHEMBL1015369)	Antagonist activity at human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50028525	18	ChEMBL_563013 (CHEMBL1016197)	Inhibition of CDK4/Cyclin D1 assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation
50028525	19	ChEMBL_563014 (CHEMBL1016198)	Inhibition of CDK1/Cyclin B1 assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation
50028525	17	ChEMBL_563271 (CHEMBL981028)	Inhibition of CDK2/Cyclin E assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation
50028525	5	ChEMBL_563033 (CHEMBL1011863)	Inhibition of IR
50038801	10	ChEMBL_563795 (CHEMBL994307)	Inhibition of human cdk2/cyclin E
50038801	20	ChEMBL_564067 (CHEMBL962522)	Inhibition of human PKCeta
50038801	14	ChEMBL_563800 (CHEMBL994312)	Inhibition of human PKCalpha
50038801	8	ChEMBL_563793 (CHEMBL994305)	Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP
50038801	1	ChEMBL_563791 (CHEMBL993554)	Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP
50038801	16	ChEMBL_563802 (CHEMBL994314)	Inhibition of human PKCbeta2
50028462	2	ChEMBL_501554 (CHEMBL986821)	Inhibition of calcimycin-induced COX1 activity
50028463	1	ChEMBL_501561 (CHEMBL987690)	Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response
50028463	2	ChEMBL_501560 (CHEMBL987689)	Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system
50028767	6	ChEMBL_523087 (CHEMBL1004117)	Inhibition of dopamine uptake at human DAT expressed in HEK293 cells
50028767	3	ChEMBL_523085 (CHEMBL1004115)	Displacement of [125I]RTI55 from human SERT expressed in HEK293 cells
50028767	2	ChEMBL_523084 (CHEMBL1004114)	Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells
50028767	8	ChEMBL_523089 (CHEMBL1004119)	Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells
50028767	4	ChEMBL_523086 (CHEMBL1004116)	Displacement of [125I]RTI55 from human NET expressed in HEK293 cells
50028767	9	ChEMBL_523079 (CHEMBL1004109)	Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T cells by scintillation counting
50028767	1	ChEMBL_523080 (CHEMBL1004110)	Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate challenge by calcium fluorescence assay
50028767	7	ChEMBL_523088 (CHEMBL1004118)	Inhibition of serotonin uptake at human SERT expressed in HEK293 cells
50028812	3	ChEMBL_522935 (CHEMBL995457)	Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
50028812	4	ChEMBL_522936 (CHEMBL995458)	Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide-induced Hedgehog pathway activation by Gli shift assay
50028812	1	ChEMBL_522937 (CHEMBL995459)	Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mouse Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
50006107	3	ChEMBL_144438 (CHEMBL753734)	Inhibition constant determined for Neutral endopeptidase (NEP)
50006107	4	ChEBML_144439	Inhibition constant determined for neutral endopeptidase (NEP)
50006107	1	ChEMBL_36145 (CHEMBL648333)	Inhibition constant determined for Angiotensin I converting enzyme
50006107	2	ChEBML_36145	Inhibition constant determined for Angiotensin I converting enzyme
50006109	4	ChEMBL_144621 (CHEMBL752833)	Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined
50028588	9	ChEMBL_500680 (CHEMBL966896)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells
50028588	2	ChEMBL_500674 (CHEMBL966890)	Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells
50028588	1	ChEMBL_500675 (CHEMBL966891)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells
50028588	3	ChEMBL_500676 (CHEMBL966892)	Agonist activity at human NOP assessed as stimulation of GDP-induced [35S]GTPgammaS binding
50028588	6	ChEMBL_500678 (CHEMBL966894)	Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding
50028588	4	ChEMBL_500673 (CHEMBL966889)	Inhibition of CYP2C9 co-incubated with substrate
50044038	1	ChEMBL_500704 (CHEMBL966920)	Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes
50030312	2	ChEMBL_571718 (CHEMBL1032963)	Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE
50030312	1	ChEMBL_571719 (CHEMBL1032964)	Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupole mass spectrometry
50038917	29	ChEMBL_586375 (CHEMBL1061940)	Inhibition of JNK-M108G in the presence of 20uM ATP
50038917	25	ChEMBL_586374 (CHEMBL1061939)	Inhibition of JNK-M108A in the presence of 20uM ATP
50038917	5	ChEMBL_586372 (CHEMBL1061937)	Inhibition of Aurora B in the presence of 20uM ATP
50038917	47	ChEMBL_586868 (CHEMBL1051363)	Inhibition of Src in the presence of 50uM ATP
50038917	11	ChEMBL_587110 (CHEMBL1051320)	Inhibition of Aurora B in the presence of 100uM ATP
50038917	9	ChEMBL_586499 (CHEMBL1051267)	Inhibition of CAMKKbeta in the presence of 20uM ATP
50038917	4	ChEMBL_586734 (CHEMBL1062878)	Inhibition of Aurora C in the presence of 5uM ATP
50030610	2	ChEMBL_591832 (CHEMBL1042381)	Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by luciferase reporter gene assay
50030610	1	ChEMBL_591830 (CHEMBL1042379)	Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by luciferase reporter gene assay
50038948	1	ChEMBL_589413 (CHEMBL1058434)	Inhibition of Cdk2/cyclinE
50038948	2	ChEMBL_589414 (CHEMBL1058435)	Inhibition of recombinant Cdk2/cyclinA
50030683	1	ChEMBL_593497 (CHEMBL1047621)	Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA
50030683	9	ChEMBL_593507 (CHEMBL1047631)	Inhibition of PDE11
50030683	2	ChEMBL_593498 (CHEMBL1047622)	Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA
50030683	3	ChEMBL_593502 (CHEMBL1047626)	Inhibition of PDE5
50030755	1	ChEMBL_600852 (CHEMBL1042810)	Inhibition of human recombinant PDE3A assessed as cAMP hydrolysis after 60 mins by fluorescence polarization assay using fluorescein-tagged cAMP as substrate
50030783	4	ChEMBL_599491 (CHEMBL1049027)	Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hI-TAC-induced chemotaxis
50030783	3	ChEMBL_599490 (CHEMBL1049026)	Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hMIG-induced chemotaxis
50030783	2	ChEMBL_599489 (CHEMBL1049025)	Antagonist activity at recombinant human CXCR3 receptor expressed in Ba/F3 cells assessed as hIP10-induced chemotaxis
50030962	2	ChEMBL_604356 (CHEMBL1068639)	Inhibition of porcine kidney microsome APN assessed as L-Leu-p-nitroanilide hydrolysis
50030986	9	ChEMBL_606265 (CHEMBL1069955)	Displacement of [125I]DOI from human 5HT2B receptor expressed in CHO cells
50030986	4	ChEMBL_606255 (CHEMBL1069945)	Agonist activity against human 5HT2C receptor by FLIPR assay
50030986	5	ChEMBL_606257 (CHEMBL1069947)	Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT
50030986	11	ChEMBL_606269 (CHEMBL1069959)	Agonist activity against 5HT2B receptor assessed as inositol phosphate accumulation
50030986	10	ChEMBL_606259 (CHEMBL1069949)	Agonist activity against human 5HT2C receptor by GTPgammaS binding
50030986	13	ChEMBL_606263 (CHEMBL1069953)	Agonist activity against human 5HT2B receptor by FLIPR assay relative to 5HT
50030986	12	ChEMBL_606261 (CHEMBL1069951)	Agonist activity against human 5HT2A receptor by FLIPR assay relative to 5HT
50031013	1	ChEMBL_603508 (CHEMBL1068427)	Inhibition of PI3Kalpha
50031015	2	ChEMBL_603529 (CHEMBL1068448)	Binding affinity to Alpha2C adrenoceptor receptor
50031016	1	ChEMBL_603568 (CHEMBL1069123)	Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins
50039033	4	ChEMBL_603584 (CHEMBL1071136)	Inhibition of alpha3beta4 nAChR
50039033	5	ChEMBL_603585 (CHEMBL1071137)	Displacement of [3H]cytisine from rat brain alpha4beta2 nAChR
50031195	1	ChEMBL_607570 (CHEMBL1073514)	Inhibition of human recombinant full length p38alpha assessed as MAPKAPK2 phosphorylation by [32P]ATP SDS-PAGE gel kinase assay
50031225	2	ChEMBL_609122 (CHEMBL1066570)	Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells
50031225	1	ChEMBL_609123 (CHEMBL1066571)	Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence resonance energy transfer assay
50031225	3	ChEMBL_609142 (CHEMBL1067816)	Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green monkey COS7 cells
50006142	2	ChEMBL_99658 (CHEMBL704424)	Inhibition of binding of [3H]LTB4 to receptor on nonradioactive LTB4
50006142	1	ChEBML_99661	Inhibition of specific binding of [3H]LTB4 ( 0.1 nM) to LTB4 receptor on intact human neutrophils
50039079	2	ChEMBL_611183 (CHEMBL1065705)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liquid scintillation counting
50039079	5	ChEMBL_611189 (CHEMBL1065711)	Agonist activity at 5HT1A receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated [35S]GTPgamma binding
50039079	6	ChEMBL_611184 (CHEMBL1065706)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells by liquid scintillation counting
50039079	3	ChEMBL_611185 (CHEMBL1065707)	Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cells by liquid scintillation counting
50039079	1	ChEMBL_611182 (CHEMBL1065704)	Binding affinity to 5HT1A receptor
50031367	6	ChEMBL_620616 (CHEMBL1114824)	Inhibition of PKCalpha
50039105	1	ChEMBL_617338 (CHEMBL1101849)	Inhibition of ATPase activity of human recombinant EG5 assessed as ATP hydrolysis by pyruvate kinase-lactate dehydrogenase coupled assay
50031487	2	ChEMBL_627163 (CHEMBL1111805)	Binding affinity to p38alpha
50031542	14	ChEMBL_624437 (CHEMBL1108765)	Antagonist activity at human CCR2B receptor expressed in HEK293 cells assessed as inhibition of MCP1-induced increase in intracellular calcium level
50031542	4	ChEMBL_624439 (CHEMBL1108767)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of MCP1-induced chemotaxis after 1 hr by crystal violet staining
50031542	13	ChEMBL_624435 (CHEMBL1108763)	Displacement of [125I]MCP1 from human CCR2B receptor expressed in HEK293-EBNA cells
50031543	15	ChEMBL_624654 (CHEMBL1111614)	Inhibition of ROCK1
50031543	28	ChEMBL_624644 (CHEMBL1111604)	Inhibition of Fyn
50031543	14	ChEMBL_624655 (CHEMBL1111615)	Inhibition of RSK1
50031543	22	ChEMBL_624647 (CHEMBL1111607)	Inhibition of LynA
50031543	21	ChEMBL_624646 (CHEMBL1111606)	Inhibition of HCK
50031543	20	ChEMBL_624649 (CHEMBL1111609)	Inhibition of p38alpha
50031543	17	ChEMBL_624652 (CHEMBL1111612)	Inhibition of PKCalpha
50031543	30	ChEMBL_624468 (CHEMBL1108796)	Inhibition of Aurora B
50031543	19	ChEMBL_624648 (CHEMBL1111608)	Inhibition of MK2
50031543	24	ChEMBL_624640 (CHEMBL1111600)	Inhibition of CDK2/cyclin A
50031543	32	ChEMBL_624639 (CHEMBL1111599)	Inhibition of CDK1/cyclin B
50031543	18	ChEMBL_624650 (CHEMBL1111610)	Inhibition of PDGFRalpha
50031543	13	ChEMBL_624656 (CHEMBL1111616)	Inhibition of SRC
50031543	25	ChEMBL_624643 (CHEMBL1111603)	Inhibition of ERK2
50031543	5	ChEMBL_624682 (CHEMBL1112474)	Inhibition of CYP2A6
50031543	23	ChEMBL_624641 (CHEMBL1111601)	Inhibition of CHK1
50031543	27	ChEMBL_624645 (CHEMBL1111605)	Inhibition of GCK
50031543	16	ChEMBL_624653 (CHEMBL1111613)	Inhibition of PKCbeta
50031543	29	ChEMBL_624467 (CHEMBL1108795)	Inhibition of ABL
50031543	26	ChEMBL_624642 (CHEMBL1111602)	Inhibition of CK1gamma1
50031543	31	ChEMBL_624657 (CHEMBL1111617)	Inhibition of VEGFR2
50031588	1	ChEMBL_626109 (CHEMBL1111635)	Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilization
50031590	1	ChEMBL_624741 (CHEMBL1113417)	Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay
50006146	2	ChEBML_211246	Ability to displace [3H]- Arginine Vasopressin (AVP) from its specific binding sites in rat liver (V2 receptor)
50006146	1	ChEBML_214387	Ability to displace [3H]- Arginine Vasopressin (AVP) from its specific binding sites in rat liver (V1 receptor)
50006148	1	ChEBML_141777	Tested against cloned human NK1 receptor by displacement of 125 I -labeled substance P expressed in CHO cells
50031614	3	ChEMBL_628398 (CHEMBL1116321)	Inhibition of human v-PARP catalytic domain by trichloroacetic acid precipitation assay
50031614	1	ChEMBL_628377 (CHEMBL1115415)	Inhibition of human PARP1 by SPA
50031615	3	ChEMBL_628513 (CHEMBL1104635)	Inhibition of CDK1
50031615	5	ChEMBL_628515 (CHEMBL1104637)	Inhibition of CHK1
50031615	20	ChEMBL_628531 (CHEMBL1104653)	Inhibition of PKCalpha
50031615	1	ChEMBL_628532 (CHEMBL1104654)	Inhibition of IKKalpha
50031615	27	ChEMBL_628512 (CHEMBL1104634)	Inhibition of Aurora B
50031651	2	ChEMBL_632182 (CHEMBL1106515)	Binding affinity to XIAP linker BIR2-BIR3 domain site 2 by fluorescence polarization assay
50031651	1	ChEMBL_632023 (CHEMBL1110065)	Binding affinity to XIAP linker BIR2-BIR3 domain site 1 by fluorescence polarization assay
50031651	3	ChEMBL_632183 (CHEMBL1106516)	Binding affinity to XIAP linker BIR2 domain by fluorescence polarization assay
50039138	1	ChEMBL_632193 (CHEMBL1106526)	Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay
50039139	3	ChEMBL_632205 (CHEMBL1106538)	Displacement of FITC-labeled Bak BH3 peptide from Bfl-1 after 30 mins by fluorescence polarization assay
50039139	4	ChEMBL_632204 (CHEMBL1106537)	Displacement of FITC-labeled Bak BH3 peptide from Bcl-2 after 30 mins by fluorescence polarization assay
50039139	1	ChEMBL_632207 (CHEMBL1106540)	Binding affinity to Bcl-XL by isothermal titration calorimetric assay
50039139	2	ChEMBL_632206 (CHEMBL1106539)	Displacement of FITC-labeled Bak BH3 peptide from Mcl-1 after 30 mins by fluorescence polarization assay
50039139	5	ChEMBL_632203 (CHEMBL1106536)	Displacement of FITC-labeled Bak BH3 peptide from Bcl-XL after 30 mins by fluorescence polarization assay
50031654	2	ChEMBL_632233 (CHEMBL1110095)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50031654	1	ChEMBL_632234 (CHEMBL1110096)	Antagonist activity at human 5HT1A receptor expressed in CHO cells assessed as blockade of 8-OH-DPAT-induced inhibition of forskolin-stimulated increase in cAMP level
50039140	4	ChEMBL_632471 (CHEMBL1108335)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells
50039140	2	ChEMBL_632475 (CHEMBL1108339)	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50039140	3	ChEMBL_632470 (CHEMBL1108334)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells
50039140	1	ChEMBL_632479 (CHEMBL1108343)	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50031656	7	ChEMBL_632507 (CHEMBL1108371)	Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
50031656	1	ChEMBL_632516 (CHEMBL1111164)	Displacement of [33P]S1P from human recombinant S1P5 receptor expressed in CHO cells by scintillation counting
50031656	6	ChEMBL_632481 (CHEMBL1108345)	Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
50031656	12	ChEMBL_632515 (CHEMBL1111163)	Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting
50031656	9	ChEMBL_632509 (CHEMBL1111157)	Agonist activity at human recombinant S1P3 receptor expressed in HEK cells by GTPgammaS binding assay
50031656	8	ChEMBL_632508 (CHEMBL1111156)	Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assay
50031656	4	ChEMBL_632513 (CHEMBL1111161)	Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting
50031656	3	ChEMBL_632514 (CHEMBL1111162)	Displacement of [33P]S1P from human recombinant S1P3 receptor expressed in HEK cells by scintillation counting
50031656	5	ChEMBL_632482 (CHEMBL1108346)	Agonist activity at human recombinant S1P3 receptor expressed in CHO cells by GTPgammaS binding assay
50039143	1	ChEMBL_631541 (CHEMBL1103906)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50039143	2	ChEMBL_631539 (CHEMBL1103904)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50031690	1	ChEMBL_631549 (CHEMBL1103914)	Inhibition of TPR-tagged RON catalytic domain expressed in HEK293 cells
50031690	5	ChEMBL_631553 (CHEMBL1103918)	Inhibition of c-Met-mediated cell migration of human A549 cells by would healing
50031690	2	ChEMBL_631550 (CHEMBL1103915)	Inhibition of c-Met
50006157	4	ChEBML_163483	Effective concentration against RAR-alpha receptor
50006157	2	ChEBML_195796	Effective concentration against Retinoic acid receptor beta
50006157	5	ChEBML_163495	Effective concentration against RAR-gamma receptor
50006157	3	ChEBML_164865	Effective concentration against RXR-alpha receptor
50006157	6	ChEMBL_163483 (CHEMBL772396)	Effective concentration against RAR-alpha receptor
50006157	1	ChEMBL_163490 (CHEMBL772402)	Effective concentration against RAR-beta receptor
50006158	1	ChEBML_71514	Binding affinity against human gastricsin
50006158	2	ChEBML_192726	Inhibitory activity against monkey renin
50006158	3	ChEBML_45334	Binding affinity against human cathepsin E
50031690	6	ChEMBL_631554 (CHEMBL1103919)	Inhibition of c-Met-mediated scattering in HGF-stimulated human DU145 cells
50006158	5	ChEBML_45168	Binding affinity against human cathepsin D
50031736	1	ChEMBL_632379 (CHEMBL1115584)	Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay
50031736	3	ChEMBL_632380 (CHEMBL1115585)	Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay
50006161	1	ChEBML_29991	Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680
50006161	2	ChEBML_29016	Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand
50031778	1	ChEMBL_635285 (CHEMBL1118389)	Antagonist activity at human recombinant progesterone receptor expressed in CHO-MMTV-beta-lactamase cells assessed as inhibition of progesterone-induced activity
50031779	6	ChEMBL_635340 (CHEMBL1119653)	Inhibition of VEGFR3 at 3 uM
50031779	1	ChEMBL_635312 (CHEMBL1119625)	Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements
50031779	4	ChEMBL_635332 (CHEMBL1119645)	Inhibition of insulin receptor
50031779	2	ChEMBL_635313 (CHEMBL1119626)	Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC
50031856	2	ChEMBL_638470 (CHEMBL1168511)	Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs
50031856	1	ChEMBL_638469 (CHEMBL1168510)	Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs
50006166	2	ChEBML_209908	Inhibition of HIV-1 nuclear regulatory protein Tat
50006166	1	ChEMBL_209908 (CHEMBL811912)	Inhibition of HIV-1 nuclear regulatory protein Tat
50006167	2	ChEMBL_99827 (CHEMBL709857)	Binding affinity against LTB4 receptors in human PMNs using [3H]LTB4 as radioligand
50006167	1	ChEBML_99662	Inhibitory concentration against LTB4 receptors in human PMNs
50006167	4	ChEMBL_99663 (CHEMBL704429)	Inhibitory concentration against leukotriene receptor B4 (LTB4) in human polymorphonuclear cells (PMNs)
50006167	5	ChEMBL_99826 (CHEMBL709856)	Binding affinity against LTB4 receptors in human PMNs
50006173	3	ChEBML_1193	Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate
50006173	5	ChEMBL_143172 (CHEMBL748048)	Tested for displacement of radioligand [3H]-Naloxone from opiate receptor
50039217	1	ChEMBL_639942 (CHEMBL1174016)	Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced [35S]GTPgamma binding by scintillation proximity assay
50032118	1	ChEMBL_652970 (CHEMBL1226173)	Inhibition of GEF-independent nucleotide exchange activity of prenylated Cdc42 after 3 mins in presence of 4 mM Mg2+ chelator EDTA
50032136	5	ChEMBL_651412 (CHEMBL1227385)	Inhibition of CFTR in nonpermeabilized human T84 cells assessed as inhibition of forskolin and IBMX-induced chloride current by short-circuit current analysis
50032136	2	ChEMBL_651188 (CHEMBL1227953)	Inhibition of human CFTR expressed in rat FRT cells assessed as inhibition of CPT-cAMP-induced apical membrane current in presence of transepithelial chloride gradient and basolateral membrane permeabilization with amphotericin B by short-circuit current analysis
50032136	4	ChEMBL_651195 (CHEMBL1228135)	Inhibition of CFTR in nonpermeabilized human bronchial epithelial cells assessed as inhibition of forskolin and IBMX-induced chloride current at by short-circuit current analysis
50032198	4	ChEMBL_652660 (CHEMBL1225863)	Antagonist activity at human delta opioid receptor expressed in HEK cells assessed as inhibition of SNC-80-induced [35S]GTPgammaS binding
50032206	7	ChEMBL_660303 (CHEMBL1249799)	Inhibition of His-tagged human MSK1 expressed in Sf9 cells
50032206	6	ChEMBL_660305 (CHEMBL1249801)	Inhibition of rat ROCK2 expressed in Sf9 cells
50032206	10	ChEMBL_660319 (CHEMBL1249815)	Inhibition of His-tagged human PKCalpha expressed in Escherichia coli
50032206	4	ChEMBL_660309 (CHEMBL1249805)	Inhibition of His-tagged human PRAK expressed in Sf9 cells
50032206	8	ChEMBL_660306 (CHEMBL1249802)	Inhibition of human PKBalpha expressed in SF9 cells
50032206	2	ChEMBL_660313 (CHEMBL1249809)	Inhibition of His-tagged human SAPK2a/p38 expressed in Escherichia coli
50039276	4	ChEMBL_660336 (CHEMBL1249832)	Inhibition of CDK1/cyclinB
50039276	1	ChEMBL_660333 (CHEMBL1249829)	Inhibition of GSK3-beta
50039276	8	ChEMBL_660338 (CHEMBL1249834)	Inhibition of CDK2 at 10 mM
50039277	12	ChEMBL_660433 (CHEMBL1250023)	Inhibition of ATM
50039278	5	ChEMBL_660462 (CHEMBL1250092)	Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker neurofilament-M by immunofluorescence method
50039278	7	ChEMBL_660460 (CHEMBL1250090)	Inhibition of GSK-3 beta in mouse D3 cells
50039278	6	ChEMBL_660463 (CHEMBL1250093)	Inhibition of GSK-3 beta in mouse D3 cells assessed as induction of neuron specific marker beta3-tubulin by immunofluorescence method
50039278	8	ChEMBL_660471 (CHEMBL1250101)	Binding affinity to GSK-3 beta in mouse D3 cells
50032221	13	ChEMBL_654843 (CHEMBL1243887)	Binding affinity to HuR after 24 hrs by microdialysis method
50032221	12	ChEMBL_654869 (CHEMBL1243913)	Inhibition of MYLK
50032221	2	ChEMBL_654838 (CHEMBL1243882)	Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein interaction with TMR-labeled A/U-rich element of TNFalpha by confocal fluctuation spectroscopy
50032221	3	ChEMBL_654854 (CHEMBL1243898)	Inhibition of recombinant full length HuR assessed as protein dimerization with TMR-labeled A/U-rich element of COX2 by confocal fluctuation spectroscopy
50032221	7	ChEMBL_654852 (CHEMBL1243896)	Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein dimerization with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy
50032221	4	ChEMBL_654853 (CHEMBL1243897)	Inhibition of recombinant full length HuR assessed as protein dimerization with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy
50032221	6	ChEMBL_654839 (CHEMBL1243883)	Inhibition of recombinant full length HuR assessed as protein interaction with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy
50032221	10	ChEMBL_654856 (CHEMBL1243900)	Binding affinity to recombinant full length HuR assessed as protein dimerization with TMR-labeled A/U-rich element of COX2 by confocal fluctuation spectroscopy
50032221	8	ChEMBL_654837 (CHEMBL1243881)	Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein interaction with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy
50032221	9	ChEMBL_654855 (CHEMBL1243899)	Binding affinity recombinant HuR RRM1/RRM2 domain by confocal fluctuation spectroscopy
50044052	1	ChEMBL_957879 (CHEMBL2378992)	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHOK1 cells
50032247	1	ChEMBL_658930 (CHEMBL1246069)	Inhibition of aromatase
50032272	1	ChEMBL_658303 (CHEMBL1246860)	Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as elevation in cAMP level after 1 hr by flashplate method
50006175	3	ChEBML_3830	Tested for inhibition of 5-HPETE production by human 5-LO
50006175	4	ChEBML_4181	In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes
50006175	5	ChEBML_4310	Tested for inhibition of leukotriene biosynthesis by binding to 5-lipoxygenase activating protein
50032334	2	ChEMBL_664345 (CHEMBL1259494)	Inhibition of human recombinant renin in plasma
50006175	2	ChEBML_216	Tested for inhibition against porcine 12-LO
50006175	7	ChEMBL_4181 (CHEMBL619246)	In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes
50032334	1	ChEMBL_664344 (CHEMBL1259493)	Inhibition of human recombinant renin in phosphate buffer
50006176	8	ChEBML_71511	Selectivity against human gastricsin
50006176	1	ChEBML_196421	Selectivity against rat plasma renin
50006176	7	ChEBML_45161	Selectivity against human cathepsin D
50006176	5	ChEMBL_196282 (CHEMBL806636)	Selectivity against rhesus monkey plasma renin
50006176	9	ChEMBL_192910 (CHEMBL795271)	Selectivity against guinea pig plasma renin
50006176	3	ChEBML_45332	Selectivity against human cathepsin E
50032335	1	ChEMBL_664357 (CHEMBL1259506)	Displacement of [125I]-SDF-1-alpha from CXCR4 expressed in CHO cells
50044049	6	ChEMBL_936572 (CHEMBL2318735)	Displacement of [3H]prazosin from human recombinant alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins
50044049	5	ChEMBL_936573 (CHEMBL2318736)	Displacement of [3H]prazosin from human recombinant alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins
50044049	8	ChEMBL_936352 (CHEMBL2321535)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cell membranes after 30 mins
50044049	7	ChEMBL_936571 (CHEMBL2318734)	Displacement of [3H]prazosin from human recombinant alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins
50006179	2	ChEMBL_211351 (CHEMBL815690)	In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.
50032386	3	ChEMBL_665509 (CHEMBL1261340)	Inhibition of DGAT1 in human Caco-2 cells after 30 mins
50032386	1	ChEMBL_665508 (CHEMBL1261339)	Inhibition of human full-length flag-tagged ACAT1 expressed in baculovirus infected insect cells after 10 mins
50032386	2	ChEMBL_665507 (CHEMBL1261338)	Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs
50032387	1	ChEMBL_665527 (CHEMBL1261358)	Inhibition of FLT3 by time resolved fluorescence method
50032418	2	ChEMBL_673952 (CHEMBL1275129)	Inhibition of CYP3A4 using midazolam as substrate
50032418	1	ChEMBL_673944 (CHEMBL1275121)	Inhibition of renin in buffer
50032418	3	ChEMBL_673953 (CHEMBL1275130)	Inhibition of CYP3A4 using testosterone as substrate
50032418	4	ChEMBL_673945 (CHEMBL1275122)	Inhibition of renin in plasma
50032418	5	ChEMBL_673950 (CHEMBL1275127)	Inhibition of CYP3A4
50006182	9	ChEMBL_222072 (CHEMBL843463)	Binding affinity towards mu opioid receptor by displacement of [3H]NAL from rat brain homogenates
50032419	1	ChEMBL_673956 (CHEMBL1275133)	Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells
50032419	2	ChEMBL_673957 (CHEMBL1275134)	Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assay
50039306	4	ChEMBL_675521 (CHEMBL1273734)	Binding affinity to VDR receptor
50039306	1	ChEMBL_674300 (CHEMBL1274500)	Vitamin-D activity at VDR receptor in human HL60 cells assessed as induction of cell differentiation by NBT reduction assay
50032562	3	ChEMBL_684889 (CHEMBL1286213)	Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1,10-Phe
50006183	5	ChEBML_217864	Binding affinity towards delta-opioid receptor by displacement of [3H]DADL in rat brain homogenates
50032562	1	ChEMBL_684891 (CHEMBL1286215)	Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells
50032562	4	ChEMBL_684890 (CHEMBL1286214)	Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,10-Phe
50006183	4	ChEMBL_220391 (CHEMBL843233)	Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in rat brain homogenates
50006183	13	ChEBML_61752	Tested for affinity against dopamine D2 receptor using [3H]SCH-23390 in rat brain
50006183	6	ChEBML_216105	Tested for affinity against dopamine D1 receptor using [3H]SCH-23,390 in rat brain
50032785	5	ChEMBL_699040 (CHEMBL1646321)	Inhibition of PDE5A
50032787	1	ChEMBL_699055 (CHEMBL1646336)	Inhibition of human recombinant full length 11beta-HSD1 expressed in human adipocytes assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of 3% human serum albumin
50032787	2	ChEMBL_699052 (CHEMBL1646333)	Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50032787	4	ChEMBL_699054 (CHEMBL1646335)	Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of 3% human serum albumin
50032787	3	ChEMBL_699053 (CHEMBL1646334)	Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50006183	19	ChEMBL_221941 (CHEMBL881435)	Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in rat brain homogenates
50006183	17	ChEMBL_222735 (CHEMBL845219)	Tested for affinity against muscarinic acetylcholine using [3H]quinuclidinyl benzylate in rat brain
50006185	15	ChEMBL_47651 (CHEMBL657363)	Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]pCCK-8 radioligand
50006185	3	ChEMBL_48414 (CHEMBL662911)	Tested for binding affinity towards cholecystokinin type B receptor in mouse brain by displacement of [3H]pBC264 radioligand
50006185	9	ChEBML_48413	Tested for binding affinity towards CCK-B in mouse brain by displacement of [3H]-pBC264 radioligand
50006185	10	ChEMBL_49880 (CHEMBL663396)	Tested for inhibition of [3H]pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex
50006185	11	ChEMBL_48610 (CHEMBL659591)	Tested for binding affinity towards CCK-B in rat cortex by displacement of [3H]pBC264 radioligand
50006185	8	ChEBML_48610	Tested for binding affinity towards CCK-B in rat cortex by displacement of [3H]pBC264 radioligand
50032788	2	ChEMBL_699260 (CHEMBL1647080)	Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay
50032788	1	ChEMBL_699259 (CHEMBL1647079)	Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay
50032789	1	ChEMBL_699279 (CHEMBL1647099)	Antagonist activity at cloned human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5HT-induced cyclic AMP formation
50006186	1	ChEBML_58690	Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes
50006186	2	ChEBML_58181	Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes
50032789	10	ChEMBL_699278 (CHEMBL1647098)	Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells
50032790	2	ChEMBL_699305 (CHEMBL1647125)	Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting
50032790	3	ChEMBL_699306 (CHEMBL1647126)	Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting
50032790	1	ChEMBL_699304 (CHEMBL1647124)	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting
50032792	1	ChEMBL_699334 (CHEMBL1647252)	Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay
50032792	3	ChEMBL_699336 (CHEMBL1647254)	Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay
50032922	2	ChEMBL_724288 (CHEMBL1677681)	Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli
50032929	1	ChEMBL_725391 (CHEMBL1676914)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum
50032955	6	ChEMBL_718502 (CHEMBL1680297)	Displacement of [3H]Bag-3 from mouse BRS-3
50032955	4	ChEMBL_718486 (CHEMBL1680281)	Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3
50032955	8	ChEMBL_718877 (CHEMBL1681371)	Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence assay
50032955	7	ChEMBL_718503 (CHEMBL1680298)	Displacement of [3H]Bag-3 from rat BRS-3
50032955	9	ChEMBL_718879 (CHEMBL1681373)	Agonist activity at rat BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence assay
50033111	1	ChEMBL_735525 (CHEMBL1693030)	Displacement of [3H]PGD2 from human CRTh2 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay
50033111	2	ChEMBL_735530 (CHEMBL1693035)	Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-mediated Ca2+ flux
50006190	11	ChEBML_46288	Inhibitory activity, measured by displacement [3H]CP-55940 from cannabinoid receptor (CB1) in rat brain
50006190	9	ChEBML_218704	Binding affinity against mitochondrial DBI complex (peripheral benzodiazepine receptor) using primary cultures of glial cells
50006190	12	ChEBML_216877	Inhibitory activity by measuring its ability to displace [3H]L-365260 from cholecystokinin receptor in rat brain
50033113	4	ChEMBL_735551 (CHEMBL1693159)	Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay
50033113	5	ChEMBL_735547 (CHEMBL1693052)	Binding affinity to Bcl-Xl
50033113	1	ChEMBL_735548 (CHEMBL1693053)	Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaScreen competitive assay
50033115	1	ChEMBL_735640 (CHEMBL1693342)	Inhibition of NEK2
50033115	2	ChEMBL_735641 (CHEMBL1693343)	Inhibition of polo-like kinase 1 activity
50033115	3	ChEMBL_735646 (CHEMBL1693348)	Inhibition of NEK2 autophosphorylation preincubated with compound by DELFIA assay
50033115	4	ChEMBL_735647 (CHEMBL1693349)	Inhibition of NEK2 assessed as inhibition of substrate phosphorylation preincubated for 5 mins before addition of substrate by DELFIA assay
50033117	1	ChEMBL_735671 (CHEMBL1693486)	Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5
50033117	2	ChEMBL_735670 (CHEMBL1693485)	Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5
50044048	1	ChEMBL_922064 (CHEMBL3077606)	Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter gene assay
50044048	2	ChEMBL_922065 (CHEMBL3077607)	Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter gene assay
50033281	4	ChEMBL_744269 (CHEMBL1772076)	Agonist activity at rat mGluR5 expressed in HEK293T cells assessed as effect on glutamate-induced calcium flux by calcium fluorescence assay
50033281	1	ChEMBL_744266 (CHEMBL1772073)	Displacement of [3H]-MPEP from mGluR5 in rat brain
50033281	2	ChEMBL_744267 (CHEMBL1772074)	Displacement of [3H]-MPEP from rat mGluR5
50033281	3	ChEMBL_744268 (CHEMBL1772075)	Antagonist activity at rat mGluR5 expressed in HEK293T cells assessed as inhibition of glutamate-induced calcium flux by calcium fluorescence assay
50033378	6	ChEMBL_747811 (CHEMBL1781010)	Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein
50033505	3	ChEMBL_750883 (CHEMBL1786328)	Inhibition of human recombinant nNOS by microtiter plate assay
50033505	1	ChEMBL_750881 (CHEMBL1786326)	Inhibition of human recombinant iNOS by microtiter plate assay
50033505	4	ChEMBL_750886 (CHEMBL1786331)	Binding affinity to human recombinant iNOS delta 65 residue
50033505	2	ChEMBL_750882 (CHEMBL1786327)	Inhibition of human recombinant eNOS by microtiter plate assay
50033523	9	ChEMBL_754091 (CHEMBL1798569)	Inhibition of JMJD2E pre-incubated for 30 mins
50033523	8	ChEMBL_754092 (CHEMBL1798570)	Inhibition of JMJD2E
50033523	2	ChEMBL_754087 (CHEMBL1798565)	Inhibition of GST-tagged LSD1 expressed in Escherichia coli
50033746	1	ChEMBL_762399 (CHEMBL1816572)	Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectroscopy
50033746	4	ChEMBL_762396 (CHEMBL1816569)	Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate by fluorescence spectroscopy
50033746	6	ChEMBL_762398 (CHEMBL1816571)	Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate using Cheng and Prusoff equation by fluorescence spectroscopy
50033746	5	ChEMBL_762397 (CHEMBL1816570)	Inhibition of human recombinant MAOB expressed in insect cells using kynuramine substrate by fluorescence spectroscopy
50033779	2	ChEMBL_764122 (CHEMBL1821333)	Antagonist activity at human CCR5 receptor expressed in MOLT4/CCR5 cells assessed as inhibition of CCL5-induced intracellular calcium mobilization by spectrophotometry
50033779	1	ChEMBL_764121 (CHEMBL1821332)	Displacement of [125I]-gp120 from human CCR5
50033780	1	ChEMBL_764140 (CHEMBL1821351)	Competitive inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release using alphaD glucose-1-phosphate as substrate at pH 6.8 by spectrophotometric analysis
50033955	2	ChEMBL_771623 (CHEMBL1837963)	Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry
50033955	1	ChEMBL_771630 (CHEMBL1837970)	Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry in the presence of 2 uM BSA
50034023	5	ChEMBL_776797 (CHEMBL1913894)	Inhibition of ALK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	12	ChEMBL_776689 (CHEMBL1913786)	Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay
50034023	4	ChEMBL_776796 (CHEMBL1913893)	Inhibition of RSK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	13	ChEMBL_776643 (CHEMBL1913740)	Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay
50034023	6	ChEMBL_776637 (CHEMBL1913734)	Inhibition of Aurora A using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	1	ChEMBL_776635 (CHEMBL1913732)	Inhibition of CHK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	3	ChEMBL_776795 (CHEMBL1913892)	Inhibition of RSK1 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	9	ChEMBL_776844 (CHEMBL1913941)	Inhibition of LCK using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	7	ChEMBL_776798 (CHEMBL1913895)	Inhibition of c-Met using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	11	ChEMBL_776690 (CHEMBL1913787)	Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay
50034023	10	ChEMBL_776845 (CHEMBL1913942)	Inhibition of ZAP70 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	2	ChEMBL_776634 (CHEMBL1913731)	Inhibition of CHK2 using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034023	8	ChEMBL_776799 (CHEMBL1913896)	Inhibition of c-Src using biotinylated substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence microplate analysis
50034043	1	ChEMBL_775757 (CHEMBL1912191)	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting
50034083	1	ChEMBL_785532 (CHEMBL1920095)	Displacement of [125I]-INXT from NET transfected in pig LLC-PK1 cells by radioligand competition binding assay
50034083	2	ChEMBL_785531 (CHEMBL1920094)	Displacement of [125I]-IDAM from SERT transfected in pig LLC-PK1 cells by radioligand competition binding assay
50034083	3	ChEMBL_785530 (CHEMBL1920093)	Displacement of [125I]-IPT from DAT transfected in pig LLC-PK1 cells by radioligand competition binding assay
50034084	10	ChEMBL_785744 (CHEMBL1920764)	Inhibition of MMP14
50034084	9	ChEMBL_785746 (CHEMBL1920766)	Inhibition of MMP9
50034084	1	ChEMBL_785882 (CHEMBL1921151)	Inhibition of human recombinant HDAC5 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034230	1	ChEMBL_794282 (CHEMBL1932155)	Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins
50034335	2	ChEMBL_796384 (CHEMBL1937699)	Transactivation of human PPARgamma expressed in CHO-K1 cells
50034335	1	ChEMBL_796383 (CHEMBL1937698)	Transactivation of human PPARalpha expressed in CHO-K1 cells
50034335	3	ChEMBL_796385 (CHEMBL1937700)	Transactivation of human PPARdelta expressed in CHO-K1 cells
50034336	2	ChEMBL_796574 (CHEMBL1937889)	Inhibition of 17beta-HSD3 in human testes homogenate
50034461	3	ChEMBL_798627 (CHEMBL1942616)	Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay
50034461	2	ChEMBL_798626 (CHEMBL1942615)	Inhibition of GSK3-beta
50034461	1	ChEMBL_798628 (CHEMBL1942617)	Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting
50034462	2	ChEMBL_797281 (CHEMBL1942682)	Inhibition of rat aldose reductase
50034462	1	ChEMBL_797273 (CHEMBL1942674)	Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry
50034537	2	ChEMBL_803381 (CHEMBL1952840)	Inhibition of human recombinant His-tagged intracellular domain of EGFR using biotin-EEEEYFELV as substrate by HTRF assay
50034537	1	ChEMBL_803378 (CHEMBL1952837)	Inhibition of human recombinant EE-tagged intracellular domain of KDR using biotin-EEEEYFELVAKKKK as substrate by HTRF assay
50034537	7	ChEMBL_803387 (CHEMBL1952846)	Inhibition of PKCalpha by IMAP assay
50034584	1	ChEMBL_803066 (CHEMBL1954372)	Antagonist activity at human metabotropic glutamate receptor 1
50034586	8	ChEMBL_803091 (CHEMBL1954527)	Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells
50034586	9	ChEMBL_803093 (CHEMBL1954529)	Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs
50034586	1	ChEMBL_803111 (CHEMBL1954547)	Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-induced chemotaxis
50034587	1	ChEMBL_803133 (CHEMBL1954569)	Inhibition of human PIM1 expressed in H1299 cells assessed as inhibition of BAD phosphorylation at S112 in absense of serum
50034587	12	ChEMBL_803134 (CHEMBL1954570)	Displacement of [3H]astemizole from human ERG expressed in CHO-K1 cell membranes
50034660	1	ChEMBL_806259 (CHEMBL1958905)	Displacement of AbuRPF-K(5-Fam)-NH2 from human recombinant His-tagged-cIAP1 BIR3 domain after 3 hrs by fluorescence polarization assay
50034679	2	ChEMBL_808291 (CHEMBL1961308)	Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis
50034679	1	ChEMBL_808290 (CHEMBL1961307)	Inhibition of human aromatase using dibenzylfluorescein substrate preincubated for 30 mins measured after 30 mins by fluorescence assay
50039566	4	ChEMBL_811176 (CHEMBL2014881)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting
50039566	3	ChEMBL_811177 (CHEMBL2014882)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting
50039566	1	ChEMBL_811178 (CHEMBL2014883)	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells after 4 hrs by liquid scintillation counting
50039593	6	ChEMBL_813123 (CHEMBL2020742)	Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay
50039593	2	ChEMBL_813122 (CHEMBL2020741)	Inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assay
50039750	2	ChEMBL_819991 (CHEMBL2032666)	Inhibition of GST-tagged mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50039750	1	ChEMBL_819989 (CHEMBL2032664)	Inhibition of human recombinant CDK5/p25 using [gamma 33P]ATP after 30 mins by scintillation counting
50039750	3	ChEMBL_819992 (CHEMBL2032667)	Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate
50039830	1	ChEMBL_821850 (CHEMBL2039420)	Inhibition of human RAD51-mediated DNA strand exchange at using pBSK (+) gapped and linear dsDNA substrates by joint molecule formation assay
50039830	3	ChEMBL_821854 (CHEMBL2039424)	Binding affinity to human RAD51 in absence of ATP by SPR method
50039844	1	ChEMBL_821128 (CHEMBL2039531)	Inhibition of HDAC1 using Fluor de Lys as substrate by fluorescence analysis
50039845	1	ChEMBL_821477 (CHEMBL2038007)	Inhibition of human 11beta-HSD1 expressed in human HEK293 cells using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintillation proximity assay in presence of 3% human serum albumin
50039845	2	ChEMBL_821476 (CHEMBL2038006)	Inhibition of human 11beta-HSD1 expressed in human HEK293 cells using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintillation proximity assay
50039845	3	ChEMBL_821475 (CHEMBL2038005)	Inhibition of human 11beta-HSD1 using [3H]cortisone as substrate assessed as production of [3H]-cortisol by scintillation proximity assay
50040113	19	ChEMBL_831800 (CHEMBL2065163)	Inhibition of SRC by FRET assay
50040113	13	ChEMBL_831793 (CHEMBL2065156)	Inhibition of PDGFRB by FRET assay
50040113	11	ChEMBL_831791 (CHEMBL2065154)	Inhibition of NTRK1 by FRET assay
50040113	10	ChEMBL_831771 (CHEMBL2065134)	Inhibition of ABL1 by FRET assay
50040113	4	ChEMBL_831787 (CHEMBL2065150)	Inhibition of JAK2 by FRET assay
50040113	25	ChEMBL_831799 (CHEMBL2065162)	Inhibition of RPS6KA3 by FRET assay
50040113	9	ChEMBL_831773 (CHEMBL2065136)	Inhibition of AKT1 by FRET assay
50040113	6	ChEMBL_831788 (CHEMBL2065151)	Inhibition of MAPK13 by FRET assay
50040113	15	ChEMBL_831795 (CHEMBL2065158)	Inhibition of PLK3 by FRET assay
50040113	14	ChEMBL_831792 (CHEMBL2065155)	Inhibition of PAK3 by FRET assay
50040113	22	ChEMBL_831776 (CHEMBL2065139)	Inhibition of CAMK1D by FRET assay
50040113	7	ChEMBL_831772 (CHEMBL2065135)	Inhibition of ALK4 by FRET assay
50040113	24	ChEMBL_831798 (CHEMBL2065161)	Inhibition of ROCK1 by FRET assay
50040113	3	ChEMBL_831774 (CHEMBL2065137)	Inhibition of AMPK A1/B1/G1 by FRET assay
50040113	1	ChEMBL_831738 (CHEMBL2065101)	Inhibition of recombinant human hepatic KHKC
50040113	27	ChEMBL_831781 (CHEMBL2065144)	Inhibition of DAPK3 by FRET assay
50040113	23	ChEMBL_831777 (CHEMBL2065140)	Inhibition of CDK1/cyclin B by FRET assay
50040113	18	ChEMBL_831796 (CHEMBL2065159)	Inhibition of PRKACA by FRET assay
50040113	16	ChEMBL_831794 (CHEMBL2065157)	Inhibition of PIM2 by FRET assay
50040113	20	ChEMBL_831778 (CHEMBL2065141)	Inhibition of CHEK1 by FRET assay
50040113	29	ChEMBL_831786 (CHEMBL2065149)	Inhibition of IRAK4 by FRET assay
50040113	32	ChEMBL_831783 (CHEMBL2065146)	Inhibition of EPHB1 by FRET assay
50040113	26	ChEMBL_831782 (CHEMBL2065145)	Inhibition of EGFR by FRET assay
50040113	28	ChEMBL_831780 (CHEMBL2065143)	Inhibition of CSNK1D by FRET assay
50040113	30	ChEMBL_831785 (CHEMBL2065148)	Inhibition of INSR by FRET assay
50040113	31	ChEMBL_831784 (CHEMBL2065147)	Inhibition of GSK3B by FRET assay
50040113	12	ChEMBL_831790 (CHEMBL2065153)	Inhibition of NEK2 by FRET assay
50040113	21	ChEMBL_831779 (CHEMBL2065142)	Inhibition of CHEK2 by FRET assay
50040113	5	ChEMBL_831775 (CHEMBL2065138)	Inhibition of AURKA by FRET assay
50040113	8	ChEMBL_831789 (CHEMBL2065152)	Inhibition of MST4 by FRET assay
50040113	2	ChEMBL_831739 (CHEMBL2065102)	Inhibition of KHKC in human HepG2 cells assessed as level of fructose-1-phosphate
50040113	17	ChEMBL_831797 (CHEMBL2065160)	Inhibition of PRKCQ by FRET assay
50040146	4	ChEMBL_834716 (CHEMBL2072692)	Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintillation proximity assay
50040146	2	ChEMBL_834718 (CHEMBL2072694)	Inhibition of CHK1 in human HT29 cells assessed as check point abrogation
50040146	3	ChEMBL_834717 (CHEMBL2072693)	Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin induced check point
50040146	5	ChEMBL_834724 (CHEMBL2072700)	Inhibition of CHK2
50040148	1	ChEMBL_834839 (CHEMBL2073156)	Inhibition of CMV-VDR expressed in human HEK293T cells assessed as inhibition of 1,25-(OH)2D3-induced CYP24A1 promoter transcription after 16 hrs by luciferase reporter assay
50040148	6	ChEMBL_834847 (CHEMBL2073164)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 by fluorescence polarization assay in presence of 0.01 mM 2-mercaptoethanol
50040148	10	ChEMBL_834843 (CHEMBL2073160)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 by fluorescence polarization assay in presence of 100 mM 2-mercaptoethanol
50040148	9	ChEMBL_834844 (CHEMBL2073161)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 by fluorescence polarization assay in presence of 10 mM 2-mercaptoethanol
50040148	5	ChEMBL_834848 (CHEMBL2073165)	Inhibition of LG190178-induced VDR-LBD interaction to SRC2-2 after 3 hrs by fluorescence polarization assay
50040148	2	ChEMBL_834834 (CHEMBL2073151)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 after 3 hrs by fluorescence polarization assay
50040148	4	ChEMBL_834849 (CHEMBL2073166)	Inhibition of LG190178-induced VDR-LBD interaction to DRIP-2 after 3 hrs by fluorescence polarization assay
50040148	8	ChEMBL_834845 (CHEMBL2073162)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 by fluorescence polarization assay in presence of 1 mM 2-mercaptoethanol
50040148	3	ChEMBL_834857 (CHEMBL2073174)	Inhibition of VDR-LBD expressed in human HEK293T cells co-expressing GAL4-DBD assessed as inhibition of 1,25-(OH)2D3-induced transcription after 24 hrs by FRET based GeneBLAzer assay
50040148	7	ChEMBL_834846 (CHEMBL2073163)	Inhibition of LG190178-induced VDR-LBD interaction to Alexa Fluor 647-labeled SRC2-3 by fluorescence polarization assay in presence of 0.1 mM 2-mercaptoethanol
50040149	1	ChEMBL_834863 (CHEMBL2073180)	Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter
50040149	3	ChEMBL_834865 (CHEMBL2073225)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as forskolin/C1-IB-MECA-induced inhibition of cAMP production
50040192	4	ChEMBL_835666 (CHEMBL2071777)	Inhibition of 11beta-HSD1 in mouse 3T3L1 cells assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay
50044039	1	ChEMBL_836786 (CHEMBL2075311)	TP_TRANSPORTER: inhibition of PGD2 uptake in Xenopus laevis oocytes
50041980	2	ChEMBL_836632 (CHEMBL2077474)	TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cells
50041980	1	ChEMBL_839191 (CHEMBL2077862)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells
50041981	2	ChEMBL_835941 (CHEMBL2077079)	TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cells
50041981	1	ChEMBL_835942 (CHEMBL2077080)	TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cells
50044040	1	ChEMBL_836779 (CHEMBL2075304)	TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT2-expressing HEK293 cells
50006194	1	ChEBML_162123	Tested in vitro for the inhibition of protein-tyrosine kinase p56lck using angiotensin I (1.2 mM) and [gamma-32P]-ATP (50 pM)
50044040	2	ChEMBL_836107 (CHEMBL2077543)	TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells
50044040	3	ChEMBL_836108 (CHEMBL2077544)	TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT2-expressing HEK293 cells
50044040	4	ChEMBL_836135 (CHEMBL2077571)	TP_TRANSPORTER: inhibition of TEA uptake (in the absence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells
50044040	5	ChEMBL_836134 (CHEMBL2077570)	TP_TRANSPORTER: inhibition of TEA uptake (in the presence of bicarbonate) (TEA: 20 uM) in OCT1-expressing HEK293 cells
50044040	6	ChEMBL_836966 (CHEMBL2075806)	TP_TRANSPORTER: inhibition of Amantadine uptake (in the presence of bicarbonate) (Amantadine: 10 uM) in OCT1-expressing HEK293 cells
50042102	2	ChEMBL_840342 (CHEMBL2089406)	Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/beta-arrestin fusion protein after 5 hrs by tango beta-arrestin translocation reporter gene assay
50042102	1	ChEMBL_840341 (CHEMBL2089405)	Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic mass redistribution assay
50040227	1	ChEMBL_840426 (CHEMBL2089603)	Binding affinity to CCR2
50040364	19	ChEMBL_853876 (CHEMBL2154996)	Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting
50040364	30	ChEMBL_853829 (CHEMBL2154855)	Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence assay
50040364	6	ChEMBL_853858 (CHEMBL2154884)	Binding affinity to CAMKK2
50040364	25	ChEMBL_853826 (CHEMBL2154852)	Inhibition of MMP9
50040364	24	ChEMBL_853831 (CHEMBL2154857)	Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence assay
50040364	29	ChEMBL_853828 (CHEMBL2154854)	Inhibition of MMP13
50040364	26	ChEMBL_853827 (CHEMBL2154853)	Inhibition of MMP12
50040364	27	ChEMBL_853824 (CHEMBL2154850)	Inhibition of MMP2
50040364	28	ChEMBL_853825 (CHEMBL2154851)	Inhibition of MMP8
50040364	23	ChEMBL_853823 (CHEMBL2154849)	Inhibition of MMP1
50040389	2	ChEMBL_856201 (CHEMBL2162885)	Competitive inhibition of human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay
50040389	1	ChEMBL_856200 (CHEMBL2162884)	Competitive inhibition of human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay
50040389	6	ChEMBL_856199 (CHEMBL2162883)	Competitive inhibition of human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay
50040390	2	ChEMBL_856427 (CHEMBL2161159)	Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci
50040390	1	ChEMBL_856424 (CHEMBL2161156)	Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay
50040582	3	ChEMBL_862135 (CHEMBL2174320)	Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 mins by fluorimetry
50040582	1	ChEMBL_862130 (CHEMBL2174315)	Antagonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as inhibition of human 26RFa-induced increase in intracellular calcium level by fluorimetry
50040582	2	ChEMBL_862134 (CHEMBL2174319)	Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method
50040583	5	ChEMBL_862405 (CHEMBL2173435)	Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 mins
50040583	4	ChEMBL_862404 (CHEMBL2173434)	Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 mins
50006201	1	ChEBML_154444	Inhibition of protein-tyrosine kinase p56lck
50006202	1	ChEBML_82431	Tested for inhibitory activity against human synovial fluid PLA2 (HSF-PLA2)
50040584	5	ChEMBL_862419 (CHEMBL2173449)	Inhibition of b-Raf in human A375 cells assessed phosphorylation of ERK
50040584	7	ChEMBL_862422 (CHEMBL2173452)	Inhibition of B-Raf
50040584	6	ChEMBL_862423 (CHEMBL2173453)	Inhibition of C-Raf
50040584	3	ChEMBL_862414 (CHEMBL2173444)	Inhibition of B-Raf in presence of 100 uM ATP
50040618	1	ChEMBL_863502 (CHEMBL2174783)	Transactivation of GAL4-fused VDR ligand binding domain expressed in human HeLa cells after 16 hrs by luciferase reporter gene assay
50040619	6	ChEMBL_863632 (CHEMBL2175364)	Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP after 20 mins by PDELight assay
50040661	13	ChEMBL_872922 (CHEMBL2187453)	Inhibition of PDE10A using [3H]cAMP and [3H]cGMP as substrate after 30 mins by scintillation counting
50040661	5	ChEMBL_872942 (CHEMBL2187842)	Inhibition of PDE10A
50006205	1	ChEBML_35283	Activity against low affinity Angiotensin II receptor, type 2 was measured from the ability to inhibit [125I]angiotensin II binding to rat uterine membrane
50006205	2	ChEBML_34803	Activity against high affinity Angiotensin II receptor, type 1 was measured from the ability to inhibit [125I]angiotensin II binding to rat uterine membrane.
50040661	10	ChEMBL_873145 (CHEMBL2182994)	Inhibition of PDE10A by fluorescence polarization assay
50040661	14	ChEMBL_872912 (CHEMBL2187443)	Inhibition of human full length PDE10A expressed in SF21 cells using [3H]cGMP as substrate after 60 mins by scintillation proximity assay
50040661	1	ChEMBL_872920 (CHEMBL2187451)	Inhibition of PDEDA2 using [3H]cGMP as substrate after 30 mins by scintillation proximity assay
50040661	8	ChEMBL_872919 (CHEMBL2187450)	Inhibition of human full length PDE10A using [3H]cGMP as substrate after 20 mins by scintillation proximity assay
50040661	12	ChEMBL_872923 (CHEMBL2187454)	Inhibition of human PDE10A1 using [3H]cAMP as substrate after 20 mins by TopCount scintillation counting
50040662	2	ChEMBL_873177 (CHEMBL2183408)	Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay
50040662	1	ChEMBL_873176 (CHEMBL2183407)	Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay
50040662	3	ChEMBL_873167 (CHEMBL2183398)	Binding affinity at wild type recombinant NT-495 labelled GAA incubated for 15 mins by microscale thermophoresis assay
50040663	10	ChEMBL_873190 (CHEMBL2183421)	Inhibition of DNA-PK in human U1810 cells after 30 mins
50040663	11	ChEMBL_873191 (CHEMBL2183422)	Competitive inhibition of DNA-PK
50040663	14	ChEMBL_873192 (CHEMBL2183423)	Inhibition of DNA-PK
50040663	9	ChEMBL_873189 (CHEMBL2183420)	Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation
50040663	5	ChEMBL_873184 (CHEMBL2183415)	Inhibition of DNA-PK autophosphorylation at Ser2056 residue in human CLL cells by Western blot method
50040663	3	ChEMBL_873195 (CHEMBL2183783)	Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA
50040663	4	ChEMBL_873195 (CHEMBL2183783)	Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA
50040663	7	ChEMBL_873187 (CHEMBL2183418)	Inhibition of DNA-PK isolated from human HeLa cell extract assessed as inhibition of p53 peptide fragment phosphorylation after 10 mins
50040663	12	ChEMBL_873193 (CHEMBL2183424)	Inhibition of DNA-PK isolated from human HeLa cell extract
50006218	2	ChEBML_53893	In vitro inhibition of Diamine oxidase (DAO) from rat small intestine.
50006218	1	ChEBML_197689	Inhibitory concentration of compound against S-Adenosyl-methionine decarboxylase (SAMDC) from rat liver
50040665	1	ChEMBL_873466 (CHEMBL2186561)	Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate
50006219	2	ChEBML_153325	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from Human erythrocytic in 50 mM phosphate
50040666	2	ChEMBL_873649 (CHEMBL2188765)	Displacement of TAMRA-labeled Dexamethasone from human mineralocorticoid receptor expressed in baculovirus infected insect cell lysate after 60 mins by fluorescence polarization assay
50040666	17	ChEMBL_873476 (CHEMBL2186571)	Binding affinity to rat mineralocorticoid receptor
50040667	2	ChEMBL_873671 (CHEMBL2188787)	Agonist activity at rat P2Y1R assessed as glucose-dependent insulin secretion
50040669	7	ChEMBL_873904 (CHEMBL2184740)	Inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader analysis
50040669	6	ChEMBL_873903 (CHEMBL2184739)	Uncompetitive inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measured for 20 mins by Dixon and Cornish-Bowden analysis
50040669	5	ChEMBL_873902 (CHEMBL2184738)	Noncompetitive inhibition of human neutrophil elastase assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Val-p-nitroanilide incubated for 2 hrs measured for 20 mins by Dixon and Cornish-Bowden analysis
50040670	2	ChEMBL_873925 (CHEMBL2184761)	Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incubated for 30 mins prior to LPA-challenge measured over 100 secs by FLIPR assay
50040670	3	ChEMBL_873916 (CHEMBL2184752)	Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction assay
50040699	8	ChEMBL_873969 (CHEMBL2185658)	Agonist activity at rat 5HT4L receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50040699	4	ChEMBL_873996 (CHEMBL2185685)	Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting
50040699	5	ChEMBL_873981 (CHEMBL2185670)	Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting
50040699	3	ChEMBL_873995 (CHEMBL2185684)	Agonist activity at human 5HT4D receptor expressed in HEK293 cells assessed as cAMP production after 30 mins by HTRF assay
50006221	2	ChEBML_36743	Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 uM N-Cbz-Phe-His-Leu as substrate
50040699	9	ChEMBL_873973 (CHEMBL2185662)	Agonist activity at human 5HT4B receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50040699	1	ChEMBL_873980 (CHEMBL2185669)	Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting
50040699	10	ChEMBL_873971 (CHEMBL2185660)	Agonist activity at human 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50040699	7	ChEMBL_873965 (CHEMBL2185238)	Agonist activity at rat 5HT4E receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50006222	1	ChEBML_156048	Compounds were evaluated for the inhibitory activity against canine myocardial cytosolic calcium dependent phospholipase A2. 
50040699	2	ChEMBL_873979 (CHEMBL2185668)	Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting
50006225	1	ChEBML_213094	In vitro inhibition of thromboxane synthetase in microsomal platelet preparation
50006226	2	ChEMBL_96936 (CHEMBL706177)	Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes
50006226	5	ChEBML_98531	Inhibitory concentration against cytosolic leucine aminopeptidase
50006226	3	ChEBML_35490	Inhibitory concentration against aminopeptidase M
50006226	4	ChEBML_67382	Inhibition constant was determined against epoxide hydrolase
50006226	1	ChEMBL_96944 (CHEMBL706184)	Ability to inhibit amidase activity of LTA4 hydrolase (1.4 ug) purified from human leukocytes
50006227	2	ChEBML_46330	Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase I activity in intact mitochondria from rat heart
50006227	1	ChEBML_46327	Compound was evaluated for its ability to inhibit carnitine palmitoyltransferase I activity in intact mitochondria from rat liver
50006231	4	ChEBML_155055	Inhibitory activity against human plasmin was determined
50006231	3	ChEBML_212173	Inhibitory activity against bovine pancreatic trypsin was determined
50006231	5	ChEMBL_207946 (CHEMBL811062)	Concentration required to inhibit thrombin hydrolysis of the chromogenic substrate
50006232	1	ChEMBL_36194 (CHEMBL649363)	Dissociation constant (KI) was evaluated as inhibitor of murine liver aromatic L-amino acid decarboxylase (AADC)
50040699	6	ChEMBL_873978 (CHEMBL2185667)	Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting
50040699	11	ChEMBL_873967 (CHEMBL2185240)	Agonist activity at rat 5HT4S receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50040699	13	ChEMBL_873993 (CHEMBL2185682)	Partial agonist activity at human 5HT4D receptor expressed in HEK293 cells assessed as cAMP production after 30 mins by HTRF assay
50040699	12	ChEMBL_873975 (CHEMBL2185664)	Agonist activity at human 5HT4A receptor expressed in HEK293 cells assessed as increase in cAMP production after 30 mins by HTRF assay
50040734	7	ChEMBL_876881 (CHEMBL2184475)	Competitive antagonist activity at human P2X4 receptor expressed in 1321N1 cell membrane assessed as inhibition of [35S]ATPgammaS binding by scintillation counting
50040735	15	ChEMBL_876919 (CHEMBL2184947)	Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells
50040735	13	ChEMBL_876917 (CHEMBL2184945)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CK-8beta-induced calcium flux by FLIPR
50040735	14	ChEMBL_876918 (CHEMBL2184946)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced calcium flux by FLIPR
50006234	1	ChEMBL_159311 (CHEMBL769364)	Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay
50040828	5	ChEMBL_879050 (CHEMBL2208922)	Agonist activity at GPR119 in human HEK293 cells by beta-lactamase reporter gene assay
50040828	3	ChEMBL_879046 (CHEMBL2208918)	Agonist activity at GPR119 in human U20S cells assessed as binding to beta-arrestin by chemiluminescence analysis
50040828	6	ChEMBL_879044 (CHEMBL2208916)	Binding affinity to human GPR119
50040828	4	ChEMBL_879048 (CHEMBL2208920)	Agonist activity at GPR119 in human HEK293 cells assessed as cAMP level by beta-lactamase reporter gene assay
50040972	4	ChEMBL_887588 (CHEMBL2217197)	Displacement of (S)-N4-(4-(3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanamido)butyl)-N1-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)-2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)succinamide from human recombinant NQO2 after 1 hr by densitometric analysis
50040972	3	ChEMBL_887590 (CHEMBL2217199)	Competitive inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by Michaelis-Menten plot analysis
50040972	2	ChEMBL_887589 (CHEMBL2217198)	Inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by spectrophotometric analysis
50040973	1	ChEMBL_887613 (CHEMBL2217222)	Displacement of [3H]QNB from M1 receptor in Wistar rat cerebral cortex homogenate
50040973	5	ChEMBL_887615 (CHEMBL2217224)	Agonist activity at human FSH receptor by aromatase-based assay
50040974	18	ChEMBL_887629 (CHEMBL2217238)	Inhibition of EGF-induced autophosphorylation of EGFR in human A431 cells
50040974	11	ChEMBL_887637 (CHEMBL2217246)	Inhibition of Btk
50040975	23	ChEMBL_887653 (CHEMBL2217262)	Inhibition of PI3Kdelta
50040975	26	ChEMBL_887687 (CHEMBL2217296)	Inhibition of PI3Kdelta-mediated AKT phosphorylation in mouse Raw 264.7 cells by immunoassay
50044045	4	ChEMBL_909862 (CHEMBL3055175)	Inhibition of COX-2 (unknown origin)
50044045	3	ChEMBL_909863 (CHEMBL3055176)	Inhibition of COX-1 (unknown origin)
50040975	10	ChEMBL_887708 (CHEMBL2217317)	Inhibition of PI3Kdelta in human whole blood assessed as inhibition of CD69 production in B lymphocyte by immunoassay
50040975	15	ChEMBL_887661 (CHEMBL2217270)	Inhibition of PI3Kdelta in presence of 10 uM ATP
50040975	4	ChEMBL_887693 (CHEMBL2217302)	Inhibition of PI3Kdelta in human PBMC assessed as inhibition of anti-IgM-induced AKT phosphorylation by FACS analysis
50040975	5	ChEMBL_887703 (CHEMBL2217312)	Inhibition of PI3Kdelta by scintillation counting method
50040975	7	ChEMBL_887705 (CHEMBL2217314)	Inhibition of PI3Kdelta in B-cells by proliferation assay
50040975	24	ChEMBL_887691 (CHEMBL2217300)	Inhibition of PI3Kdelta-mediated AKT phosphorylation in human Ramos cells by ELISA
50006235	3	ChEMBL_201721 (CHEMBL803919)	compound was tested for binding affinity against sigma sites in guinea pig membrane using [3H]- -(+) -3-PPP as the radioligand
50040976	1	ChEMBL_887723 (CHEMBL2217332)	Inhibition of human ERG tail current expressed in HEK293 cells at + 60 mV holding potential by patch clamp assay
50044041	1	ChEMBL_893811 (CHEMBL3048912)	Dual-site binding inhibition of AChE in Musca domestica (house fly) brain
50006235	1	ChEMBL_63065 (CHEMBL673632)	Compound was tested for binding affinity against D2 receptor in rat corpus striatum, using [3H]sulpiride as the radioligand
50044042	1	ChEMBL_901574 (CHEMBL3068555)	Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide as substrate preincubated for 15 min
50044042	2	ChEMBL_901573 (CHEMBL3068554)	Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 15 min
50044043	1	ChEMBL_907754 (CHEMBL3065677)	Inhibition of Bos taurus (calf) intestinal mucosa adenylate deaminase
50044043	2	ChEMBL_907756 (CHEMBL3065679)	Inhibition of Pisum sativum (pea) adenylate deaminase
50044043	3	ChEMBL_907759 (CHEMBL3065682)	Inhibition of Oryctolagus cuniculus (rabbit) muscle adenylate deaminase
50044044	1	ChEMBL_911039 (CHEMBL3054752)	Inverse agonist activity at GABAA alpha5beta3gamma2 in Homo sapiens (human) L(tk-) cells by patch clamp assay
50044044	2	ChEMBL_911042 (CHEMBL3054755)	Binding affinity to GABA-Aalpha1beta3gamma2 (unknown origin)
50044044	3	ChEMBL_911040 (CHEMBL3054753)	Binding affinity to GABAA alpha2beta3gamma2 (unknown origin)
50044044	4	ChEMBL_911043 (CHEMBL3054756)	Binding affinity to GABAA alpha5beta3gamma2 (unknown origin)
50006238	1	ChEMBL_144149 (CHEMBL750764)	Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells
50006238	2	ChEMBL_144145 (CHEMBL750760)	Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells
50043554	5	ChEMBL_1265866 (CHEMBL3039492)	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells
50043554	4	ChEMBL_1265863 (CHEMBL3039489)	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells
50044046	1	ChEMBL_915023 (CHEMBL3059591)	Inhibition of Bos taurus (bovine) mitochodrial complex 1 isolated from heart submitochondrial particle by NADH oxidase assay
50044047	1	ChEMBL_916416 (CHEMBL3082457)	Inhibition of wild type Nicotiana tabacum (tobacco) S4-Hra GST-tagged acetolactate synthase mutant expressed in Escherichia coli by modified Westerfeld method
50044047	2	ChEMBL_916417 (CHEMBL3082458)	Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method
50006242	1	ChEMBL_588 (CHEMBL615458)	In vivo binding affinity towards [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus.
50043554	2	ChEMBL_1265864 (CHEMBL3039490)	Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells
50006246	3	ChEMBL_219325 (CHEMBL823518)	Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics
50042309	4	ChEMBL_934617 (CHEMBL2317823)	Inhibition of SERT (unknown origin) assessed as serotonin reuptake
50042309	2	ChEMBL_934615 (CHEMBL2317821)	Inhibition of DAT (unknown origin) assessed as dopamine reuptake
50042309	3	ChEMBL_934616 (CHEMBL2317822)	Inhibition of NET (unknown origin) assessed as noradrenaline reuptake
50042331	3	ChEMBL_937327 (CHEMBL2319090)	Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	2	ChEMBL_937326 (CHEMBL2319089)	Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	10	ChEMBL_937331 (CHEMBL2319094)	Partial agonist activity at rat muscarinic M4 receptor expressed in CHO cells calcium response
50042331	7	ChEMBL_937316 (CHEMBL2319079)	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	6	ChEMBL_937313 (CHEMBL2319076)	Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs
50042331	9	ChEMBL_937330 (CHEMBL2319093)	Partial agonist activity at rat muscarinic M5 receptor expressed in CHO cells calcium response
50042331	1	ChEMBL_937315 (CHEMBL2319078)	Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	8	ChEMBL_937601 (CHEMBL2321070)	Partial agonist activity at rat muscarinic M1 receptor expressed in CHO cells calcium response
50042331	12	ChEMBL_937333 (CHEMBL2319367)	Partial agonist activity at rat muscarinic M2 receptor expressed in CHO cells calcium response
50042331	20	ChEMBL_937325 (CHEMBL2319088)	Partial agonist activity at human muscarinic M1 receptor expressed in CHO cells calcium response
50042331	15	ChEMBL_937320 (CHEMBL2319083)	Partial agonist activity at human muscarinic M5 receptor expressed in CHO cells calcium response
50042331	14	ChEMBL_937319 (CHEMBL2319082)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	5	ChEMBL_937329 (CHEMBL2319092)	Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	11	ChEMBL_937332 (CHEMBL2319366)	Partial agonist activity at rat muscarinic M3 receptor expressed in CHO cells calcium response
50042331	19	ChEMBL_937317 (CHEMBL2319080)	Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042331	4	ChEMBL_937328 (CHEMBL2319091)	Antagonist activity at rat muscarinic M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042375	10	ChEMBL_936335 (CHEMBL2321267)	Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inhibitor complex
50042375	3	ChEMBL_936328 (CHEMBL2321260)	Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex
50042375	9	ChEMBL_936334 (CHEMBL2321266)	Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-substrate-inhibitor complex
50042375	8	ChEMBL_936333 (CHEMBL2321265)	Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-substrate-inhibitor complex
50042375	6	ChEMBL_936331 (CHEMBL2321263)	Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition constant for enzyme-inhibitor complex
50006267	3	ChEMBL_99766 (CHEMBL715305)	Kinetic constant was calculated by inhibition of monoamino oxidase B (MAO B)
50042375	13	ChEMBL_936320 (CHEMBL2321252)	Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate-inhibitor complex
50042375	7	ChEMBL_936332 (CHEMBL2321264)	Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate
50006268	1	ChEMBL_195746 (CHEMBL801598)	Inhibition of human plasma renin at pH 7.4
50006269	1	ChEMBL_195959 (CHEMBL879242)	Inhibitory concentration against human plasma renin at pH 7.4
50006269	4	ChEMBL_196303 (CHEMBL805018)	In vitro inhibitory concentration against rat plasma renin at pH 7.4
50042375	2	ChEMBL_936327 (CHEMBL2321259)	Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex
50043554	3	ChEMBL_1265867 (CHEMBL3039493)	Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells
50042399	1	ChEMBL_935739 (CHEMBL2321503)	Antagonist activity at human 5HT7 receptor expressed in HEK293 assessed as inhibition of 5HT-induced cAMP accumulation
50042399	9	ChEMBL_935750 (CHEMBL2321514)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 after 1 hr
50042399	2	ChEMBL_935742 (CHEMBL2321506)	Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as cAMP accumulation
50042448	4	ChEMBL_939732 (CHEMBL2329085)	Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate
50042448	2	ChEMBL_939730 (CHEMBL2329083)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]-ATP
50042448	1	ChEMBL_939729 (CHEMBL2329082)	Inhibition of human recombinant GST-fused DYRK2 expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]-ATP
50042448	5	ChEMBL_939733 (CHEMBL2329086)	Inhibition of human recombinant CDK5
50042448	3	ChEMBL_939731 (CHEMBL2329084)	Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate
50042476	10	ChEMBL_938856 (CHEMBL2328125)	Inhibition of voltage-gated Na channel 1.2 (unknown origin)
50042476	60	ChEMBL_938834 (CHEMBL2328103)	Inhibition of voltage-gated K channel 2.2 (unknown origin) by automated patch clamp assay
50042476	7	ChEMBL_938854 (CHEMBL2328123)	Inhibition of voltage-gated Na channel 1.6 (unknown origin)
50042476	9	ChEMBL_938857 (CHEMBL2328126)	Inhibition of voltage-gated Na channel 1.3 (unknown origin)
50042476	64	ChEMBL_938850 (CHEMBL2328119)	Inhibition of voltage-gated Na channel 1.9 (unknown origin)
50042476	11	ChEMBL_938858 (CHEMBL2328127)	Inhibition of voltage-gated Na channel 1.1 (unknown origin)
50042476	62	ChEMBL_938840 (CHEMBL2328109)	Inhibition of rat voltage-gated Na channel 1.1 in dorsal root ganglion neurons by patch clamp technique
50042476	61	ChEMBL_938839 (CHEMBL2328108)	Inhibition of rat voltage-gated Na channel 1.3 in dorsal root ganglion neurons by patch clamp technique
50042476	8	ChEMBL_938855 (CHEMBL2328124)	Inhibition of voltage-gated Na channel 1.4 (unknown origin)
50042476	6	ChEMBL_938851 (CHEMBL2328120)	Inhibition of voltage-gated Na channel 1.7 (unknown origin)
50042476	63	ChEMBL_938806 (CHEMBL2327950)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membrane
50042476	39	ChEMBL_938829 (CHEMBL2328098)	Inhibition of Kca 3.1 (unknown origin)
50042477	2	ChEMBL_938945 (CHEMBL2328434)	Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]E2 as substrate after 6 hrs by HPLC analysis
50042502	1	ChEMBL_938500 (CHEMBL2327184)	Inhibition of human recombinant N-terminal GST-tagged Plk1 in presence of 3.12 mM of ATP
50042502	2	ChEMBL_938499 (CHEMBL2327183)	Inhibition of human recombinant N-terminal GST-tagged Plk1 in presence of 62.5 uM of ATP
50043381	5	ChEMBL_982014 (CHEMBL2428369)	Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting
50043381	4	ChEMBL_982013 (CHEMBL2428368)	Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)
50043381	6	ChEMBL_982012 (CHEMBL2428367)	Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid scintillation counting
50042778	4	ChEMBL_945426 (CHEMBL2342537)	Inhibition of DDR1 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by TR-FRET assay
50042780	2	ChEMBL_945919 (CHEMBL2340533)	Inhibition of full-length microsomal PGES-1 (unknown origin) expressed in Escherichia coli Rosetta(DE3) using PGH2 as substrate assessed as inhibition of PGH2 conversion to PGE2 incubated 15 mins prior to substrate addition measured after 1 min by EIA
50042780	1	ChEMBL_945918 (CHEMBL2340532)	Inhibition of PGES-1 in human whole blood assessed as LPS-induced PGE2 formation incubated for 15 mins prior to LPS addition measured after 24 hrs by EIA
50044051	1	ChEMBL_956003 (CHEMBL2380060)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50044051	2	ChEMBL_956004 (CHEMBL2380061)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042924	2	ChEMBL_957869 (CHEMBL2378982)	Competitive inhibition of SK1 (unknown origin) in presence of ATP
50044052	2	ChEMBL_957877 (CHEMBL2378990)	Binding affinity to 5HT7 receptor (unknown origin)
50044052	3	ChEMBL_957878 (CHEMBL2378991)	Binding affinity to human 5HT7 receptor expressed in HEK-293F cells
50044053	1	ChEMBL_959999 (CHEMBL2384052)	Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50044053	2	ChEMBL_960000 (CHEMBL2384053)	Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50044053	3	ChEMBL_960001 (CHEMBL2384054)	Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50044053	4	ChEMBL_959998 (CHEMBL2384051)	Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50044054	1	ChEMBL_965224 (CHEMBL2394009)	Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin)
50044054	2	ChEMBL_965225 (CHEMBL2394010)	Inhibition of full length carbonic anhydrase-2 in human erythrocytes
50044054	3	ChEMBL_965226 (CHEMBL2394011)	Inhibition of full length carbonic anhydrase-1 in human erythrocytes
50043130	7	ChEMBL_967910 (CHEMBL2400726)	Inhibition of N-terminal myristoylated P110alpha (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA
50043130	15	ChEMBL_967908 (CHEMBL2400724)	Inhibition of N-terminal myristoylated P110delta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA
50043130	14	ChEMBL_967911 (CHEMBL2400727)	Inhibition of CYP3A4 (unknown origin)
50043130	1	ChEMBL_967916 (CHEMBL2400732)	Inhibition of P110alpha (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay
50043130	2	ChEMBL_967914 (CHEMBL2400730)	Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay
50043130	16	ChEMBL_967909 (CHEMBL2400725)	Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA
50043130	6	ChEMBL_967909 (CHEMBL2400725)	Inhibition of N-terminal myristoylated P110beta (unknown origin)-mediated AKT phosphorylation at Ser473 expressed in rat Rat1 cells by ELISA
50006285	1	ChEMBL_207650 (CHEMBL811632)	Tested in vitro for inhibition constant against TXA2 / PGH-2 receptor using [125I]PTA-OH binding affinity to human platelets
50006286	1	ChEMBL_198045 (CHEMBL804187)	Inhibition of [3H]peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake
50006286	2	ChEMBL_58560 (CHEMBL667495)	Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]spiperone in rat striatal membranes
50043132	11	ChEMBL_966467 (CHEMBL2399055)	Inhibition of CYP3A4 (unknown origin)
50043132	12	ChEMBL_966466 (CHEMBL2399054)	Inhibition of PI4K3beta (unknown origin)
50043207	3	ChEMBL_972634 (CHEMBL2410614)	Inhibition of human DGAT1
50043207	1	ChEMBL_972631 (CHEMBL2410611)	Inhibition of human ACAT1
50043208	1	ChEMBL_972635 (CHEMBL2410615)	Inhibition of porcine DPP4
50043208	3	ChEMBL_972638 (CHEMBL2410618)	Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay
50043208	4	ChEMBL_972636 (CHEMBL2410616)	Inhibition of human DPP4
50043208	2	ChEMBL_972637 (CHEMBL2410617)	Inhibition of porcine DPP4 using H-Gly-Pro-AMC as substrate by fluorescence assay
50043209	15	ChEMBL_972661 (CHEMBL2410764)	Inhibition of HDAC2 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043209	5	ChEMBL_972659 (CHEMBL2410762)	Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence assay
50043209	12	ChEMBL_972655 (CHEMBL2410635)	Inhibition of HDAC8 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHK(Ac)K(Ac)) as substrate by fluorescence assay
50043209	11	ChEMBL_972664 (CHEMBL2410767)	Inhibition of c-Src (unknown origin) after 10 mins by fluorimetric assay
50043209	10	ChEMBL_972656 (CHEMBL2410636)	Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence assay
50043209	9	ChEMBL_972653 (CHEMBL2410633)	Inhibition of HDAC10 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043209	7	ChEMBL_972667 (CHEMBL2410770)	Inhibition of c-Src (unknown origin) by fluorescence assay
50043209	14	ChEMBL_972652 (CHEMBL2410632)	Inhibition of HDAC11 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043209	16	ChEMBL_972662 (CHEMBL2410765)	Inhibition of HDAC1 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043209	3	ChEMBL_972658 (CHEMBL2410761)	Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence assay
50043209	4	ChEMBL_972657 (CHEMBL2410760)	Inhibition of HDAC6 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043209	13	ChEMBL_972650 (CHEMBL2410630)	Inhibition of HCK (unknown origin)
50043209	6	ChEMBL_972654 (CHEMBL2410634)	Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence assay
50043209	17	ChEMBL_972663 (CHEMBL2410766)	Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay
50043209	8	ChEMBL_972666 (CHEMBL2410769)	Inhibition of HDAC1 (unknown origin) by Fluor de Lys based assay
50044055	1	ChEMBL_972673 (CHEMBL2410776)	Inhibition of human BACE1 cloned in HEK293 cells using Eu-CEVNLDAEFK-QSY 7 as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by TR-FRET assay
50044055	2	ChEMBL_972671 (CHEMBL2410774)	Inhibition of BACE1 in human SH-SY5Y cells assessed as release of sAPPbeta after 17 hrs
50044055	3	ChEMBL_972672 (CHEMBL2410775)	Inhibition of human BACE1 cloned in HEK293 cells using Eu-CEVNLDAEFK-QSY 7 as substrate preincubated for 10 mins followed by substrate addition under dark condition measured after 6.5 hrs by diluted TR-FRET assay
50044056	1	ChEMBL_974507 (CHEMBL2412780)	Inhibition of wild type EGFR (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET based Z'-lyte assay
50043241	3	ChEMBL_974029 (CHEMBL2410507)	Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production
50043241	2	ChEMBL_974032 (CHEMBL2410510)	Agonist activity at recombinant human GPBAR1 expressed in CHO cells
50043241	4	ChEMBL_974027 (CHEMBL2410505)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50043241	1	ChEMBL_974031 (CHEMBL2410509)	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells
50043272	3	ChEMBL_976321 (CHEMBL2415267)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method
50043272	6	ChEMBL_976320 (CHEMBL2415266)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method
50043272	5	ChEMBL_976315 (CHEMBL2415261)	Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50043272	2	ChEMBL_976318 (CHEMBL2415264)	Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50043272	4	ChEMBL_976316 (CHEMBL2415262)	Competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50043272	1	ChEMBL_976317 (CHEMBL2415263)	Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50043305	5	ChEMBL_980053 (CHEMBL2423309)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy trifluoromethylcoumarin as substrate
50043350	5	ChEMBL_977780 (CHEMBL2421001)	Inhibition of NAMPT in human U87 cells
50044057	1	ChEMBL_982093 (CHEMBL2428680)	Inhibition of urokinase amidolytic activity (unknown origin)
50044057	2	ChEMBL_982095 (CHEMBL2428682)	Inhibition of thrombin (unknown origin) assessed as hydrolysis of N-benzoyl-phenylalanylvalyl-arginine-paranitroanilide
50044057	3	ChEMBL_982099 (CHEMBL2428686)	Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis
50044057	4	ChEMBL_982134 (CHEMBL2428849)	Inhibition of human thrombin amidolytic activity using D-Phe-Pip-Arg-pNA as substrate preincubated for 10 mins followed by substrate addition measured every 12 secs for 10 mins by spectrophotometric analysis
50006295	4	ChEBML_29455	Binding affinity at Adenosine A1 receptor in rat brain
50042473	2	ChEMBL_938624 (CHEMBL2327244)	Antagonist activity at TRPV4 (unknown origin) by ligand-gated assay
50043829	16	ChEMBL_1290297 (CHEMBL3118619)	Inhibition of PHD2 (unknown origin) using P564 HIFlalpha as substrate after 1 hr by TR-FRET assay
50043829	18	ChEMBL_1290486 (CHEMBL3119777)	Inhibition of human recombinant EGLN-1 using DLDLEALAPYIPADDDFQL as substrate after 20 mins by mass spectrophotometric analysis
50043829	2	ChEMBL_1290490 (CHEMBL3119781)	Inhibition of 6His-tagged PHD3 (1 to 239) (unknown origin)-mediated Cy5CODD hydroxylation expressed in Escherichia coli after 30 mins
50043829	3	ChEMBL_1290293 (CHEMBL3118615)	Inhibition of FLAG-tagged full length PHD2 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by HTRF assay in presence of 2-oxoglutarate
50044077	1	ChEMBL_1337645 (CHEMBL3242833)	Antagonist activity at human Gal4-fused ER-alpha expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase reporter gene assay
50043829	5	ChEMBL_1290488 (CHEMBL3119779)	Inhibition of 6His-tagged PHD3 (1 to 239) (unknown origin)-mediated Cy5CODD hydroxylation expressed in Escherichia coli preincubated for 3 mins followed by substrate addition measured after 30 mins
50043829	1	ChEMBL_1290489 (CHEMBL3119780)	Inhibition of PHD3 in human Hep3B cells assessed as stimulation of EPO release after 48 hrs by ELISA
50043722	5	ChEMBL_1284448 (CHEMBL3106176)	Inhibition of PIM3 (unknown origin)
50043722	1	ChEMBL_1284449 (CHEMBL3106177)	Inhibition of PIM1 (unknown origin)
50043722	6	ChEMBL_1284450 (CHEMBL3106178)	Inhibition of PIM2 (unknown origin)
50043722	10	ChEMBL_1284447 (CHEMBL3106175)	Inhibition of PIM1 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay
50043392	6	ChEMBL_982063 (CHEMBL2428538)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake
50043392	5	ChEMBL_982064 (CHEMBL2428539)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50043392	2	ChEMBL_982058 (CHEMBL2428533)	Agonist activity at human TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake
50043392	4	ChEMBL_982054 (CHEMBL2428529)	Partial antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake
50043392	7	ChEMBL_982061 (CHEMBL2428536)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake
50043392	3	ChEMBL_982059 (CHEMBL2428534)	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells
50043392	1	ChEMBL_982056 (CHEMBL2428531)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated Ca2+ uptake
50043469	2	ChEMBL_988625 (CHEMBL2438692)	Inhibition of JAK1 (unknown origin)
50043469	11	ChEMBL_988616 (CHEMBL2438567)	Inhibition of CYP3A4 (unknown origin)
50043469	1	ChEMBL_988624 (CHEMBL2438691)	Inhibition of JAK2 (unknown origin)
50006298	5	ChEBML_64978	Inhibitory activity against endopeptidase 24.11
50006298	4	ChEBML_98399	Inhibitory activity against Leucine aminopeptidase
50043469	10	ChEMBL_988618 (CHEMBL2438569)	Inhibition of Tyk2 (unknown origin)
50043516	16	ChEMBL_993377 (CHEMBL2444572)	Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of DK-PGD2-induced shape change after 5 mins by flow cytometry
50043516	17	ChEMBL_993379 (CHEMBL2444574)	Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of prostaglandin D2 and forskolin-induced cAMP accumulation after 45 mins
50043516	22	ChEMBL_993229 (CHEMBL2447519)	Inhibition of human CYP3A4
50043516	18	ChEMBL_993380 (CHEMBL2444575)	Displacement of [3H]-prostaglandin D2 from human CRTh2 receptor expressed in CHO cells after 2 hrs
50043516	19	ChEMBL_993222 (CHEMBL2447512)	Inhibition of prostanoid EP4 receptor (unknown origin)
50043516	10	ChEMBL_993242 (CHEMBL2447532)	Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of eotaxin-induced shape change after 5 mins by flow cytometry
50043516	9	ChEMBL_993240 (CHEMBL2447530)	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophil shape change after 5 mins by flow cytometry
50043516	20	ChEMBL_993224 (CHEMBL2447514)	Inhibition of prostanoid EP3 receptor (unknown origin)
50043516	8	ChEMBL_993241 (CHEMBL2447531)	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 5 mins by flow cytometry
50043516	15	ChEMBL_993363 (CHEMBL2444558)	Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs
50043516	13	ChEMBL_993360 (CHEMBL2444555)	Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of 11-Dehydro-TXB2-induced shape change after 5 mins by flow cytometry
50043516	12	ChEMBL_993359 (CHEMBL2444554)	Antagonist activity at CRTh2 receptor in human isolated eosinophil assessed as inhibition of delta12-PGD2-induced shape change after 5 mins by flow cytometry
50043516	21	ChEMBL_993226 (CHEMBL2447516)	Inhibition of prostanoid EP2 receptor (unknown origin)
50043519	4	ChEMBL_990996 (CHEMBL2445794)	Inhibition of human recombinant MMP-8 catalytic domain using McaKPLGL9(Dpa)AR-NH2 as substrate by fluorescence spectrophotometric analysis
50043519	3	ChEMBL_991125 (CHEMBL2446581)	Inhibition of human recombinant MMP-9 catalytic domain using MOCAcPLGLA2pr(Dnp)AR-NH2 as substrate by fluorescence spectrophotometric analysis
50043519	2	ChEMBL_991126 (CHEMBL2446582)	Inhibition of human recombinant MMP-2 using MOCAcPLGLA2pr(Dnp)AR-NH2 as substrate by fluorescence spectrophotometric analysis
50043520	2	ChEMBL_991130 (CHEMBL2446586)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay
50043520	1	ChEMBL_991133 (CHEMBL2446589)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay
50043520	4	ChEMBL_991131 (CHEMBL2446587)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of 45 degC heat-induced activity after 5 mins by FLIPR assay
50043520	3	ChEMBL_991132 (CHEMBL2446588)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH-induced activity by FLIPR assay
50043722	11	ChEMBL_1284446 (CHEMBL3106174)	Inhibition of PIM2 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay
50042331	18	ChEMBL_937323 (CHEMBL2319086)	Partial agonist activity at human muscarinic M2 receptor expressed in CHO cells calcium response
50042331	21	ChEMBL_937318 (CHEMBL2319081)	Antagonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response
50042247	4	ChEMBL_334064 (CHEMBL861856)	Agonist activity at kappa opioid receptor in myenteric plexus muscle from guinea pig
50042247	1	ChEMBL_334062 (CHEMBL861271)	Agonist activity at delta opioid receptor in mouse vas deferens
50042247	3	ChEMBL_334063 (CHEMBL861853)	Agonist activity at mu opioid receptor in myenteric plexus muscle from guinea pig
50006300	1	ChEBML_50687	In vitro inhibition of human placental Cytochrome P450 19A1
50006302	1	ChEBML_52074	Inactivation of prostaglandin E1 omega-hydroxylase (Cytochrome P450 4A4) in rabbit lung
50042247	2	ChEMBL_334075 (CHEMBL867136)	Binding affinity at human delta opioid receptor expressed in CHO cells
50041903	22	ChEMBL_741371 (CHEMBL1764897)	Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay
50041903	19	ChEMBL_741382 (CHEMBL1764908)	Inhibition of CYP2C19
50041903	16	ChEMBL_741372 (CHEMBL1764898)	Displacement of [3H]GW 2433 from human PPARalpha by scintillation proximity assay
50041903	12	ChEMBL_741378 (CHEMBL1764904)	Induction of human PPARdelta-mediated PDK4 gene expression in human skeletal muscle
50006310	1	ChEBML_62225	Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]sulpiride
50041903	14	ChEMBL_741377 (CHEMBL1764903)	Induction of human PPARdelta-mediated CPT1a gene expression in human skeletal muscle
50041903	15	ChEMBL_741374 (CHEMBL1764900)	Partial agonist activity at human PPARdelta expressed in african green monkey CV1 cells transfected with Gal4 assessed as beta-galactosidase activity by transactivation assay
50041903	17	ChEMBL_741381 (CHEMBL1764907)	Inhibition of CYP1A2
50006312	3	ChEMBL_202288 (CHEMBL814056)	Inhibitory activity against squalene synthetase in rat liver microsomes
50006313	2	ChEBML_61572	In vitro binding affinity towards the dopamine receptor D2 at 10 e-6 M
50006313	8	ChEBML_1854	In vitro binding affinity towards the 5-hydroxytryptamine 1C receptor at 10 e-6 M
50041903	18	ChEMBL_741373 (CHEMBL1764899)	Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay
50006321	1	ChEBML_207656	Activity against TXA2 synthase in bovine platelet microsome
50043555	3	ChEMBL_1275793 (CHEMBL3091126)	Competitive inhibition of human recombinant DPP4 using AP-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50043555	1	ChEMBL_1275951 (CHEMBL3090286)	Agonist activity at human GLP-1R expressed in African green monkey COS7 cells assessed as stimulation of cAMP production
50043555	2	ChEMBL_1275952 (CHEMBL3090287)	Displacement of [125I]-exendin (9 to 39) from human GLP-1R expressed in African green monkey COS7 cells by liquid scintillation counting analysis
50043654	3	ChEMBL_1278097 (CHEMBL3095595)	Inhibition of human AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50044058	1	ChEMBL_1278101 (CHEMBL3095599)	Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis
50044058	2	ChEMBL_1278102 (CHEMBL3095600)	Competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis
50044058	3	ChEMBL_1278103 (CHEMBL3095601)	Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis
50044058	4	ChEMBL_1278105 (CHEMBL3095603)	Inhibition of human plasmatic BChE after 5 mins by Ellman's method
50044058	5	ChEMBL_1278106 (CHEMBL3095604)	Inhibition of human recombinant AChE after 5 mins by Ellman's method
50043673	2	ChEMBL_1281372 (CHEMBL3101467)	Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analysis
50043673	1	ChEMBL_1281371 (CHEMBL3101466)	Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis
50043674	3	ChEMBL_1281385 (CHEMBL3101480)	Inhibition of uPA (unknown origin) using L-PyroGlu-Gly-Arg-pNA.HCl as substrate
50043674	4	ChEMBL_1281382 (CHEMBL3101477)	Inhibition of thrombin (unknown origin) by fluorescence assay
50043677	5	ChEMBL_1281546 (CHEMBL3102112)	Inhibition of human recombinant IMPDH2 by spectrophotometry
50043677	4	ChEMBL_1281549 (CHEMBL3102115)	Inhibition of human tankyrase1 after 30 mins by spectrophotometry
50043677	6	ChEMBL_1281548 (CHEMBL3102114)	Inhibition of human tankyrase2 after 2 hrs by spectrophotometry
50043677	2	ChEMBL_1281550 (CHEMBL3102116)	Inhibition of PARP1 (unknown origin)
50043677	7	ChEMBL_1281552 (CHEMBL3102118)	Inhibition of tankyrase2 (unknown origin)
50043677	3	ChEMBL_1281551 (CHEMBL3102117)	Inhibition of tankyrase1 (unknown origin)
50044059	1	ChEMBL_1281563 (CHEMBL3102248)	Inhibition of human acetylcholine esterase-induced amyloid beta (1 to 40) aggregation by ThT-based fluorescence assay
50044059	2	ChEMBL_1281568 (CHEMBL3102253)	Inhibition of human butyrylcholine esterase
50044059	3	ChEMBL_1281569 (CHEMBL3102254)	Inhibition of human acetylcholine esterase
50043693	6	ChEMBL_1281646 (CHEMBL3102583)	Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate
50043693	7	ChEMBL_1281645 (CHEMBL3102582)	Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate
50043693	2	ChEMBL_1281635 (CHEMBL3102572)	Noncompetitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plot analysis
50043709	3	ChEMBL_1281339 (CHEMBL3101312)	Binding affinity to CDK2 (unknown origin) at 20 to 80 degC by circular dichroism analysis
50043709	1	ChEMBL_1281330 (CHEMBL3101303)	Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins by SDS-PAGE analysis
50043709	4	ChEMBL_1281340 (CHEMBL3101313)	Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay
50043710	4	ChEMBL_1281493 (CHEMBL3101951)	Agonist activity at NTR1 (unknown origin) expressed in CHO-K1 cells coexpressing beta-arrestin/N-terminal deletion mutant of beta-galactosidase fusion protein by chemiluminescence assay
50043710	8	ChEMBL_1281345 (CHEMBL3101318)	Inhibition of DOR (unknown origin)
50043710	7	ChEMBL_1281344 (CHEMBL3101317)	Inhibition of MOR (unknown origin)
50043710	3	ChEMBL_1281491 (CHEMBL3101949)	Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as Ca2+ mobilization by Fluo-4 NW dye-based fluorescence assay
50043710	9	ChEMBL_1281495 (CHEMBL3101953)	Agonist activity at NTR2 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay
50043710	10	ChEMBL_1281482 (CHEMBL3101940)	Inhibition of DAT (unknown origin)
50043710	2	ChEMBL_1281342 (CHEMBL3101315)	Displacement of [125I]-neurotensin from NTR1 (unknown origin)
50043710	1	ChEMBL_1281483 (CHEMBL3101941)	Inhibition of NTS1 receptor (unknown origin)
50043710	6	ChEMBL_1281497 (CHEMBL3101955)	Agonist activity at NTR1 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay
50044060	1	ChEMBL_1281499 (CHEMBL3101957)	Inhibition of p38alpha (unknown origin) up to 60 mins by ADP-Glo assay
50043722	7	ChEMBL_1284452 (CHEMBL3106180)	Inhibition of PIM2 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay
50043722	8	ChEMBL_1284453 (CHEMBL3106341)	Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay
50043722	9	ChEMBL_1284451 (CHEMBL3106179)	Inhibition of PIM3 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay
50044061	1	ChEMBL_1287748 (CHEMBL3111580)	Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay
50043836	19	ChEMBL_1291426 (CHEMBL3118216)	Inhibition of human FGFR1
50043836	23	ChEMBL_1291434 (CHEMBL3118224)	Inhibition of human Fgr
50043836	2	ChEMBL_1291450 (CHEMBL3118240)	Inhibition of Jak2 (unknown origin)
50043836	21	ChEMBL_1291436 (CHEMBL3118226)	Inhibition of human CK2alpha2
50043836	22	ChEMBL_1291435 (CHEMBL3118225)	Inhibition of human KDR
50043836	18	ChEMBL_1291247 (CHEMBL3117032)	Inhibition of human PKCzeta
50043836	20	ChEMBL_1291437 (CHEMBL3118227)	Inhibition of human JAK2
50043836	24	ChEMBL_1291429 (CHEMBL3118219)	Inhibition of human Flt4
50043836	3	ChEMBL_1291451 (CHEMBL3118241)	Inhibition of Jak1 (unknown origin)
50043836	1	ChEMBL_1291449 (CHEMBL3118239)	Inhibition of Jak3 (unknown origin)
50043859	2	ChEMBL_1288694 (CHEMBL3119687)	Inhibition of human alphavbeta3 integrin expressed in human SK-MEL-24 cells assessed as inhibition of cell adhesion to vitronectin
50043859	1	ChEMBL_1288696 (CHEMBL3119689)	Displacement of [125I]-FN from human alpha4beta1 integrin expressed in human Jurkat cells by scintillation proximity assay
50043859	3	ChEMBL_1288695 (CHEMBL3119688)	Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
50044062	1	ChEMBL_1291356 (CHEMBL3117772)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr
50044062	2	ChEMBL_1291359 (CHEMBL3117775)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr
50043905	1	ChEMBL_1293179 (CHEMBL3123366)	Noncompetitive inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Dixon plot analysis
50043960	4	ChEMBL_1294790 (CHEMBL3128877)	Inhibition of Stat3 phosphorylation in human MDA-MB-231 cells by Western blotting analysis in normoxia condition
50043960	9	ChEMBL_1294796 (CHEMBL3128919)	Inhibition of HIF-1 alpha in human OVCAR3 cells by Western blotting analysis in hypoxia condition
50043960	11	ChEMBL_1294798 (CHEMBL3128921)	Inhibition of HIF-1 alpha in human MDA-MB-468 cells by Western blotting analysis in hypoxia condition
50043960	1	ChEMBL_1294786 (CHEMBL3128873)	Inhibition of Stat3 phosphorylation in human OVCAR3 cells by Western blotting analysis in normoxia condition
50043960	5	ChEMBL_1294789 (CHEMBL3128876)	Inhibition of Stat3 phosphorylation in human OVCAR3 cells by Western blotting analysis in hypoxia condition
50043960	12	ChEMBL_1294799 (CHEMBL3128922)	Inhibition of HIF-1 alpha in human MDA-MB-231 cells by Western blotting analysis in hypoxia condition
50043960	3	ChEMBL_1294788 (CHEMBL3128875)	Inhibition of Stat3 phosphorylation in human MDA-MB-468 cells by Western blotting analysis in normoxia condition
50043960	8	ChEMBL_1294793 (CHEMBL3128880)	Inhibition of Stat3 phosphorylation in human MDA-MB-231 cells by Western blotting analysis in hypoxia condition
50043960	2	ChEMBL_1294787 (CHEMBL3128874)	Inhibition of Stat3 phosphorylation in human PANC1 cells by Western blotting analysis in normoxia condition
50043960	6	ChEMBL_1294791 (CHEMBL3128878)	Inhibition of Stat3 phosphorylation in human PANC1 cells by Western blotting analysis in hypoxia condition
50043960	10	ChEMBL_1294797 (CHEMBL3128920)	Inhibition of HIF-1 alpha in human PANC1 cells by Western blotting analysis in hypoxia condition
50044063	1	ChEMBL_1295421 (CHEMBL3131058)	Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenates
50041903	13	ChEMBL_741385 (CHEMBL1764911)	Inhibition of CYP2C9
50041903	21	ChEMBL_741384 (CHEMBL1764910)	Inhibition of CYP3A4
50006331	1	ChEMBL_34821 (CHEMBL648755)	In vitro antagonistic activity by displacement of [125I]-Sar1-Ile8-A II at the rat adrenal cortical aorta Angiotensin II receptor, type 1
50041903	20	ChEMBL_741383 (CHEMBL1764909)	Inhibition of CYP2D6
50041863	3	ChEMBL_676159 (CHEMBL1273210)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells
50041863	4	ChEMBL_676160 (CHEMBL1273211)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cells
50041853	6	ChEMBL_664776 (CHEMBL1259386)	Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting
50041853	7	ChEMBL_664775 (CHEMBL1259385)	Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting
50006331	2	ChEMBL_34820 (CHEMBL648754)	In vitro antagonistic activity by displacement of [125I]-Sar1-Ile8-A II at the rabbit aorta Angiotensin II receptor, type 1
50041853	8	ChEMBL_664774 (CHEMBL1259384)	Displacement of [3H]-prazosin from human adrenergic alpha-1b receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50041853	5	ChEMBL_664777 (CHEMBL1259387)	Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting
50006334	1	ChEMBL_202286 (CHEMBL814054)	Inhibitory activity against squalene synthetase in rat liver microsomal assay
50006335	1	ChEBML_100077	Inhibition of Monoamine oxidase-B from Bovine liver
50006337	1	ChEBML_34804	Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver.
50041802	1	ChEMBL_632192 (CHEMBL1106525)	Inhibition of human carbonic anhydrase 2
50041801	2	ChEMBL_628669 (CHEMBL1106435)	Inhibition of thymidylate synthase
50006344	2	ChEBML_3968	Inhibition 5-lipoxygenase mediated LTB4 formation in rat basophilic leukemia (RBL-1) cells
50041775	2	ChEMBL_603504 (CHEMBL1068423)	Inhibition of human T-type calcium channel alpha1G in HEK293 cells
50006350	6	ChEMBL_49259 (CHEMBL661479)	Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined
50006350	9	ChEMBL_217034 (CHEMBL821568)	Inhibition constant of high-affinity choline uptake
50006350	10	ChEMBL_166352 (CHEMBL775439)	Inhibition of high affinity dopamine uptake at concentration of 1 uM
50006350	4	ChEBML_49259	Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determined
50006350	11	ChEMBL_273 (CHEMBL615713)	Inhibition of high affinity 5-HT uptake at concentration of 1 uM
50006351	1	ChEBML_35279	In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.
50041700	12	ChEMBL_562955 (CHEMBL1015354)	Agonist activity at human H4 receptor expressed in insect Sf9 cells co-expressing RGS19 fusion protein and Gialpha2, Gbeta1gamma2 assessed as gamma[32P]GTP binding by liquid scintillation counting
50006351	3	ChEMBL_34962 (CHEMBL647884)	In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver
50041700	11	ChEMBL_562964 (CHEMBL1015363)	Agonist activity at histamine H2 receptor in guinea pig atrium assessed as increase in heart rate
50041700	8	ChEMBL_562954 (CHEMBL1015353)	Agonist activity at human H3 receptor expressed in insect Sf9 cells co-expressing Gialpha2, Gbeta1gamma2 and RGS4 assessed as gamma[32P]GTP binding by liquid scintillation counting
50006352	1	ChEBML_61490	Compounds binding ability to dopamine transporter was evaluated by displacing [3H]beta-CFT in baboon brain
50006352	3	ChEBML_201342	Compounds binding ability to serotonin transporter was evaluated by displacing [3H]paroxetine in baboon brain
50006355	1	ChEMBL_159374 (CHEMBL768148)	Binding affinity towards human progesterone receptor
50041700	9	ChEMBL_562953 (CHEMBL1015352)	Agonist activity at human H2 receptor expressed in insect Sf9 cells co-expressing GsalphaS fusion protein assessed as gamma[32P]GTP binding by liquid scintillation counting
50041700	10	ChEMBL_562952 (CHEMBL1015351)	Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation counting
50041699	8	ChEMBL_562921 (CHEMBL1019681)	Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay
50041699	6	ChEMBL_562923 (CHEMBL1019683)	Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay
50041699	5	ChEMBL_562924 (CHEMBL1019684)	Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction
50041699	7	ChEMBL_562920 (CHEMBL1018857)	Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-galactosidase based whole cell assay
50006359	2	ChEMBL_159598 (CHEMBL760080)	In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells
50041386	3	ChEMBL_310491 (CHEMBL834065)	Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors
50041386	2	ChEMBL_310813 (CHEMBL825005)	Effective concentration in KXalpha-3-beta-4R2 cells expressing rat nicotinic acetylcholine receptor alpha3-beta4 subunits
50041386	1	ChEMBL_310669 (CHEMBL838016)	Change in membrane potential in K-177 cells expressing acetylcholine central neuronal receptor alpha4-beta2 subunits 
50006365	4	ChEMBL_155535 (CHEMBL759740)	Inhibition of human Phosphodiesterase 7
50006365	1	ChEMBL_156307 (CHEMBL762540)	Inhibition of bovine Phosphodiesterase 2
50041288	9	ChEMBL_144889 (CHEMBL749962)	In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor
50041288	10	ChEMBL_144885 (CHEMBL749958)	In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor
50041288	2	ChEMBL_144890 (CHEMBL749963)	In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor
50041281	6	ChEMBL_213948 (CHEMBL811926)	Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)
50041281	4	ChEMBL_158030 (CHEMBL768621)	Inhibitory activity against HIV-1 protease.
50041281	5	ChEMBL_213949 (CHEMBL811927)	Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)
50006368	3	ChEMBL_197413 (CHEMBL799802)	Binding affinity to retinoic acid receptor alpha using [3H]CD 367 as radioligand
50006368	1	ChEMBL_195496 (CHEMBL798917)	Binding affinity to retinoic acid receptor beta using [3H]CD 367 as radioligand
50006368	2	ChEMBL_196012 (CHEMBL798022)	Binding affinity to retinoic acid receptor (RAR) gamma using [3H]CD 367 as radioligand
50006369	1	ChEMBL_62263 (CHEMBL675665)	Binding affinity towards human Dopamine receptor D3 evaluated using [3H]spiperone
50006369	4	ChEMBL_61151 (CHEMBL879873)	Binding affinity towards human Dopamine receptor D4.2 evaluated using [3H]spiperone
50040975	28	ChEMBL_887707 (CHEMBL2217316)	Inhibition of human PI3Kdelta expressed in Rat-1 cells assessed as inhibition of AKT phosphorylation by ELISA
50040975	27	ChEMBL_887694 (CHEMBL2217303)	Inhibition of PI3Kdelta in human B-cells assessed as inhibition of anti-IgM-induced thymidine incorporation by radiometry
50040953	9	ChEMBL_887195 (CHEMBL2215303)	Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50006379	1	ChEMBL_68488 (CHEMBL682237)	Inhibition of Farnesyltransferase
50006379	2	ChEMBL_72095 (CHEMBL680221)	Inhibition of Geranylgeranyl transferase type I
50040953	5	ChEMBL_887041 (CHEMBL2213832)	Partial agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting
50040953	6	ChEMBL_887043 (CHEMBL2213834)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50040953	1	ChEMBL_887039 (CHEMBL2213830)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting
50040953	10	ChEMBL_887196 (CHEMBL2215304)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50040953	3	ChEMBL_887033 (CHEMBL2213373)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting
50040953	2	ChEMBL_887037 (CHEMBL2213828)	Partial agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting
50040953	8	ChEMBL_887048 (CHEMBL2213839)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50040953	4	ChEMBL_887035 (CHEMBL2213375)	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50040933	2	ChEMBL_886136 (CHEMBL2210436)	Binding affinity to uPAR
50029184	1	ChEMBL_3002 (CHEMBL619792)	Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]BRL-43694 displacement.
50029927	2	ChEBML_52039	Dissociation constant for CysLT1 receptor was determined by the displacement of [3H]LTD4 from guinea pig lung membranes
50034994	11	ChEMBL_35501 (CHEMBL646411)	Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+B stereoisomer)
50011059	7	ChEMBL_158461 (CHEMBL763264)	Effective concentration which increases intracellular c-AMP production in human Prostanoid IP receptor
50006384	2	ChEMBL_32006 (CHEMBL646603)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cell membrane
50006392	2	ChEMBL_144479 (CHEMBL754638)	In vitro inhibition of purified rat kidney Neutral endopeptidase.
50011059	6	ChEMBL_158306 (CHEMBL763191)	Effective concentration which increases intracellular c-AMP production in mouse EP2- receptor
50044077	2	ChEMBL_1337649 (CHEMBL3242837)	Antagonist activity at human Gal4-fused ER-beta expressed in HEK293 cells assessed as inhibition of 17beta-estradiol-induced effect by luciferase reporter gene assay
50044077	3	ChEMBL_1337650 (CHEMBL3242838)	Inhibition of steroid sulfatase in human MCF7 cells assessed as conversion of [3H]E1S to [3H]E1 and [3H]E2 after 5 hrs by liquid scintillation counting
50035567	1	ChEMBL_59783 (CHEMBL671743)	Antagonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]spiperone
50001087	2	ChEBML_153978	Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.
50044078	1	ChEMBL_1337655 (CHEMBL3242843)	Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry
50036063	2	ChEMBL_30785 (CHEMBL645062)	Binding affinity (Ki) at calf intestinal adenosine deaminase.
50037632	4	ChEMBL_325890 (CHEMBL863247)	Antagonistic activity at human CCR1 by inhibition of MIP-1alpha induced calcium mobilization in THP1 cells
50037632	7	ChEMBL_325921 (CHEMBL869391)	Inhibition of human adrenergic alpha-2B receptor
50037632	19	ChEMBL_325924 (CHEMBL869394)	Inhibition of human adrenergic beta-2 receptor
50037632	26	ChEMBL_325927 (CHEMBL869397)	Inhibition of human delta opioid receptor
50017342	1	ChEMBL_327201 (CHEMBL859562)	Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells
50020875	2	ChEMBL_444936 (CHEMBL894086)	Inhibition of human recombinant BChE
50038544	3	ChEMBL_549472 (CHEMBL997270)	Inhibition of human synovial group2 sPLA2 by liquid scintillation counting
50006402	18	ChEMBL_29224 (CHEMBL641390)	Inhibitory activity against Acetylcholinesterase in rat striatum
50038544	6	ChEMBL_549476 (CHEMBL997274)	Inhibition of bee venom group3 sPLA2 by liquid scintillation counting
50006402	33	ChEMBL_138904 (CHEMBL744136)	Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn
50038544	7	ChEMBL_549474 (CHEMBL997272)	Inhibition of rat air pouch group2 sPLA2 by liquid scintillation counting
50006402	19	ChEMBL_29223 (CHEMBL641389)	Inhibitory activity against acetylcholinesterase in rat striatal preparation
50038544	5	ChEMBL_549475 (CHEMBL997273)	Inhibition of bee venom group3 sPLA2 at 10 uM by liquid scintillation counting
50038544	1	ChEMBL_549468 (CHEMBL997266)	Inhibition of Naja naja venom group1 sPLA2 at 10 uM by liquid scintillation counting
50038544	2	ChEMBL_549471 (CHEMBL997269)	Inhibition of human synovial group2 sPLA2 at 10 uM by liquid scintillation counting
50038594	10	ChEMBL_508134 (CHEMBL1004871)	Inhibition of human recombinant cathepsin L after 10 mins
50038594	13	ChEMBL_508149 (CHEMBL1007398)	Blockade of neutrophil elastase processing in human U937 cells after 7 days by fluorogenic substrate cleavage assay
50038594	12	ChEMBL_508133 (CHEMBL1004870)	Inhibition of human recombinant cathepsin S after 10 mins
50038594	11	ChEMBL_508135 (CHEMBL1004872)	Inhibition of human recombinant cathepsin H after 10 mins
50038594	6	ChEMBL_508141 (CHEMBL1004878)	Inhibition of cathepsin G in human U937 cells
50038594	7	ChEMBL_508140 (CHEMBL1004877)	Inhibition of neutrophil elastase in human U937 cells
50038594	9	ChEMBL_508132 (CHEMBL1004869)	Inhibition of human recombinant cathepsin B after 10 mins
50006402	20	ChEMBL_214790 (CHEMBL815527)	Inhibition of [3H]nitrendipine binding to [Ca2+] channel of rat heart
50027742	2	ChEMBL_544515 (CHEMBL1013487)	Inhibition of LTA4 hydrolase in guinea pig lung assessed as inhibition of LTB4 production
50006402	1	ChEMBL_138810 (CHEMBL748241)	Inhibitory activity against [3H]pirenzepine binding to muscarinic M1 receptor in rat cortex
50028646	7	ChEMBL_499157 (CHEMBL1011431)	Inhibition of IKKalpha
50028646	4	ChEMBL_499152 (CHEMBL1011426)	Inhibition of Aurora B
50028646	8	ChEMBL_499161 (CHEMBL1011435)	Inhibition of PKCalpha
50006402	16	ChEMBL_148695 (CHEMBL751068)	Inhibitory activity against [3H]DHM binding to mu opioid receptor in rat whole brain
50006402	2	ChEMBL_61603 (CHEMBL879571)	Inhibitory activity against [3H]spiroperidol bingind to Dopamine receptor D2 in rat striatum
50006402	3	ChEMBL_1782 (CHEMBL616756)	Inhibitory activity against [3H]5-HT binding to 5-HT1B receptor in rat striatum
50006402	15	ChEMBL_58338 (CHEMBL671953)	Inhibitory activity against [3H]SCH-23390 binding to Dopamine receptor D1 in rat striatum
50006403	3	ChEMBL_138693 (CHEMBL747660)	Compound was tested for inhibition of [3H]pirenzepine binding against Muscarinic acetylcholine receptor M1 from rat cortical membranes using in vitro cholinergic receptor binding assay.
50044079	1	ChEMBL_1338068 (CHEMBL3241789)	Inhibition of Plasmodium falciparum plasmepsin 2
50044080	1	ChEMBL_1338069 (CHEMBL3241790)	Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay
50039002	1	ChEMBL_595939 (CHEMBL1041788)	Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay
50006403	4	ChEMBL_29089 (CHEMBL636827)	In vitro inhibition of Acetylcholinesterase from rat striatum
50006403	2	ChEMBL_138692 (CHEMBL747659)	Compound was tested for inhibition of [3H]pirenzepine binding against Muscarinic acetylcholine receptor M1 from rat cortical membranes using in vitro cholinergic receptor binding assay.
50044080	2	ChEMBL_1338070 (CHEMBL3241791)	Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay
50006405	1	ChEMBL_76063 (CHEMBL688285)	In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles
50031224	3	ChEMBL_608857 (CHEMBL1069076)	Binding affinity to 5HT7 receptor
50031487	1	ChEMBL_627174 (CHEMBL1114528)	Inhibition of human recombinant p38alpha by liquid scintillation counting
50031487	3	ChEMBL_627164 (CHEMBL1111806)	Binding affinity to p38beta
50032537	4	ChEMBL_685335 (CHEMBL1287450)	Binding affinity to human adenosine A3 receptor
50032930	4	ChEMBL_725399 (CHEMBL1676922)	Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting
50032930	5	ChEMBL_725554 (CHEMBL1677636)	Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting
50034587	7	ChEMBL_803130 (CHEMBL1954566)	Inhibition of PIM1
50034659	3	ChEMBL_806244 (CHEMBL1958785)	Inhibition of human Erg by patch clamp assay
50039679	9	ChEMBL_816460 (CHEMBL2024947)	Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human p70S6K by fluorescence anisotropy assay
50039679	10	ChEMBL_816463 (CHEMBL2024950)	Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human PKG1alpha by fluorescence anisotropy assay
50039679	6	ChEMBL_816454 (CHEMBL2024941)	Binding affinity to His6-tagged recombinant human PKG1alpha by fluorescence anisotropy assay in absence of cGMP
50039679	1	ChEMBL_816474 (CHEMBL2024961)	Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay
50039679	11	ChEMBL_816464 (CHEMBL2024951)	Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay
50039679	12	ChEMBL_816456 (CHEMBL2024943)	Binding affinity to His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay
50039679	2	ChEMBL_816447 (CHEMBL2024934)	Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay
50039679	4	ChEMBL_816459 (CHEMBL2024946)	Displacement of fluorescent-ARC-583/ARC-1042/ARC-1059 from His6-tagged recombinant human MSK1 by fluorescence anisotropy assay
50040147	4	ChEMBL_834829 (CHEMBL2073146)	Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter
50040147	5	ChEMBL_834830 (CHEMBL2073147)	Displacement of [3H]dihydroalprenolol from human ADRB2 expressed in HEK293T cells after 1 hr by liquid scintillation counter
50040147	6	ChEMBL_834831 (CHEMBL2073148)	Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
50040251	5	ChEMBL_849457 (CHEMBL2149458)	Inhibition of human Nav1.5
50040251	7	ChEMBL_849458 (CHEMBL2149459)	Inhibition of human ERG channel by whole cell voltage-clamp electrophysiology assay
50040251	6	ChEMBL_849456 (CHEMBL2149457)	Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay
50006415	2	ChEMBL_2662 (CHEMBL617911)	In vitro ability to displace [3H]ketanserin from 5-hydroxytryptamine 2A receptor in rat brain.
50006415	1	ChEMBL_62860 (CHEMBL677675)	Displacement of [3H]NPA from rat brain Dopamine receptor D2
50006416	3	ChEMBL_61415 (CHEMBL675883)	Inhibition of [3H]raclopride binding at Dopamine receptor D2 from rat striata.
50006416	2	ChEMBL_845 (CHEMBL615901)	Inhibition of [3H]8-OH-DPAT binding at serotonin 5-hydroxytryptamine 1A receptor from rat hippocampus tissue.
50006417	23	ChEMBL_69935 (CHEMBL679465)	Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	16	ChEMBL_70078 (CHEMBL677024)	Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	13	ChEMBL_70710 (CHEMBL685346)	Displacement of [3H]Ro-154513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	18	ChEMBL_69959 (CHEMBL678632)	Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	15	ChEMBL_70398 (CHEMBL683024)	Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	22	ChEMBL_70395 (CHEMBL683021)	Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells
50040282	1	ChEMBL_849013 (CHEMBL2150039)	Inhibition of MTP in human HepG2 cells assessed as inhibition of apoB secretion after 40 hrs by ELISA
50006417	14	ChEMBL_70711 (CHEMBL685347)	Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells
50006417	20	ChEMBL_70396 (CHEMBL683022)	Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells
50040282	2	ChEMBL_849012 (CHEMBL2150038)	Inhibition of MTP in human HepG2 cells assessed as unbound drug level causing inhibition of apoB secretion after 40 hrs by ELISA
50040535	2	ChEMBL_860207 (CHEMBL2168947)	Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50040535	4	ChEMBL_860204 (CHEMBL2168944)	Inhibition of human activated TAFI using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis in presence of dithiothreitol
50006417	21	ChEMBL_70709 (CHEMBL685345)	Displacement of [3H]Ro-154513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells
50040535	1	ChEMBL_860206 (CHEMBL2168946)	Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50006417	19	ChEMBL_70077 (CHEMBL677023)	Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells
50040535	3	ChEMBL_860203 (CHEMBL2168943)	Inhibition of pig pancreatic carboxypeptidase B using Hip-Arg as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis in presence of dithiothreitol
50040665	2	ChEMBL_873469 (CHEMBL2186564)	Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat brain homogenate
50040689	1	ChEMBL_876347 (CHEMBL2185821)	Inhibition of human DHFR by spectrophotometric analysis
50040784	2	ChEMBL_878115 (CHEMBL2183305)	Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric assay
50040899	3	ChEMBL_885178 (CHEMBL2213712)	Inhibition of adenosine deaminase
50044081	1	ChEMBL_1338517 (CHEMBL3241263)	Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs
50006421	1	ChEMBL_213572 (CHEMBL816127)	In vitro inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2)
50044082	1	ChEMBL_1338899 (CHEMBL3240287)	Inhibition of ovine COX1 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA
50044082	2	ChEMBL_1338900 (CHEMBL3240288)	Inhibition of ovine COX2 using arachidonic acid as substrate assessed as conversion of PGH2 to PGF2alpha after 10 mins by EIA
50044083	1	ChEMBL_1338904 (CHEMBL3240292)	Displacement of [3H]spiperone from wild-type human dopamine D2S receptor expressed in CHO-K1 cell membrane after 2 hrs by beta counting
50044084	1	ChEMBL_1339751 (CHEMBL3243388)	Inhibition of ovine COX1 assessed as prostaglandin F2alpha level
50044084	2	ChEMBL_1339752 (CHEMBL3243389)	Inhibition of human recombinant COX2 assessed as prostaglandin F2alpha level
50044085	1	ChEMBL_1335504 (CHEMBL3239289)	Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay
50044085	2	ChEMBL_1335505 (CHEMBL3239290)	Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by continuous fluorometric assay
50006423	1	ChEMBL_212395 (CHEMBL873375)	TNF-alpha production in PBMC by ELISA method
50044086	1	ChEMBL_1336032 (CHEMBL3240325)	Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP
50006426	1	ChEMBL_70728 (CHEMBL680521)	In vitro inhibitory activity against Farnesyltransferase
50006426	2	ChEMBL_71976 (CHEMBL684169)	In vitro inhibition of Geranylgeranyl transferase type I
50006428	2	ChEMBL_3905 (CHEMBL619910)	Inhibition of 5-lipoxygenase by measuring 5-HETE levels in RBL-1 cell-free supernatant
50044086	2	ChEMBL_1336033 (CHEMBL3240326)	Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay
50006429	2	ChEMBL_159916 (CHEMBL768965)	Inhibitory activity against prostaglandin G/H synthase 2 (COX-2).
50044086	3	ChEMBL_1336031 (CHEMBL3240324)	Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP
50044086	4	ChEMBL_1336037 (CHEMBL3240531)	Inhibition of CYP3A4 (unknown origin)
50004996	4	ChEMBL_1970089 (CHEMBL4602907)	Inhibition of human ABL1
50004996	5	ChEMBL_1970090 (CHEMBL4602908)	Inhibition of human ABL2
50004996	6	ChEMBL_1970091 (CHEMBL4602909)	Inhibition of human PRGFRbeta
50004996	7	ChEMBL_1970092 (CHEMBL4602910)	Inhibition of human SRC
50004996	8	ChEMBL_1970093 (CHEMBL4602911)	Inhibition of human BLK
50004996	9	ChEMBL_1970094 (CHEMBL4602912)	Inhibition of human CDK5
50004996	10	ChEMBL_1970095 (CHEMBL4602913)	Inhibition of human CDK8
50004996	11	ChEMBL_1970096 (CHEMBL4602914)	Inhibition of human DDR1
50004996	12	ChEMBL_1970097 (CHEMBL4602915)	Inhibition of human DDR2
50004996	13	ChEMBL_1970098 (CHEMBL4602916)	Inhibition of human EPHA3
50004996	14	ChEMBL_1970099 (CHEMBL4602917)	Inhibition of human EPHA7
50004996	15	ChEMBL_1970100 (CHEMBL4602918)	Inhibition of human EPHA8
50004996	16	ChEMBL_1970101 (CHEMBL4602919)	Inhibition of human EPHB2
50004996	17	ChEMBL_1970102 (CHEMBL4602920)	Inhibition of human p38gamma
50004996	18	ChEMBL_1970103 (CHEMBL4602921)	Inhibition of human FLT1
50004996	19	ChEMBL_1970104 (CHEMBL4602922)	Inhibition of human FRK
50004996	20	ChEMBL_1970105 (CHEMBL4602923)	Inhibition of human NTRK1
50004996	21	ChEMBL_1970106 (CHEMBL4602924)	Inhibition of human JNK1
50004996	22	ChEMBL_1970107 (CHEMBL4602925)	Inhibition of human JNK2
50004996	23	ChEMBL_1970108 (CHEMBL4602926)	Inhibition of human JNK3
50004996	24	ChEMBL_1970109 (CHEMBL4602927)	Inhibition of human KIT
50004996	25	ChEMBL_1970110 (CHEMBL4602928)	Inhibition of human MAP4K4
50004996	26	ChEMBL_1970111 (CHEMBL4602929)	Inhibition of human MRCKbeta
50004996	27	ChEMBL_1970112 (CHEMBL4602930)	Inhibition of human PTK2beta
50004996	28	ChEMBL_1970113 (CHEMBL4602931)	Inhibition of human RET
50004996	29	ChEMBL_1970114 (CHEMBL4602932)	Inhibition of human SLK
50004996	30	ChEMBL_1970115 (CHEMBL4602933)	Inhibition of human STK10
50004996	31	ChEMBL_1970116 (CHEMBL4602934)	Inhibition of human TIE1
50004996	32	ChEMBL_1970117 (CHEMBL4602935)	Inhibition of human TIE2
50004996	33	ChEMBL_1970118 (CHEMBL4602936)	Inhibition of human TNIK
50004996	34	ChEMBL_1970119 (CHEMBL4602937)	Inhibition of human TRKB
50004996	35	ChEMBL_1970120 (CHEMBL4602938)	Inhibition of human TRKC
50004996	36	ChEMBL_1970121 (CHEMBL4602939)	Inhibition of human ZAK
50004996	37	ChEMBL_1970122 (CHEMBL4602940)	Inhibition of human BRAF
50004996	38	ChEMBL_1970123 (CHEMBL4602941)	Inhibition of human CIT
50004996	39	ChEMBL_1970124 (CHEMBL4602942)	Inhibition of human CK1epsilon
50004996	40	ChEMBL_1970125 (CHEMBL4602943)	Inhibition of human DMPK
50004996	41	ChEMBL_1970126 (CHEMBL4602944)	Inhibition of human GAK
50004996	42	ChEMBL_1970127 (CHEMBL4602945)	Inhibition of human NLK
50004996	43	ChEMBL_1970128 (CHEMBL4602946)	Inhibition of human RIPK2
50004996	44	ChEMBL_1970129 (CHEMBL4602947)	Inhibition of human STK36
50004996	45	ChEMBL_1970130 (CHEMBL4602948)	Inhibition of human CK1alpha
50004996	46	ChEMBL_1970131 (CHEMBL4602949)	Inhibition of human PKD3
50004998	1	ChEMBL_1970247 (CHEMBL4603065)	Inhibition of human alpha3beta4 nAChR assessed as increase in acetylcholine-induced normalized current at 2 uM (Rvb = 78.5 +/- 10 uM)
50005000	1	ChEMBL_1970282 (CHEMBL4603100)	Inhibition of Keap1-Nrf2 Interaction (unknown origin) by fluorescence anisotropy
50044086	5	ChEMBL_1336040 (CHEMBL3240534)	Binding affinity to human ERG
50044086	6	ChEMBL_1336449 (CHEMBL3242593)	Inhibition of CDK4 in human MOLM13 cells assessed as inhibition of Rb phosphorylation at Ser780 after 24 hrs
50006436	2	ChEMBL_1996 (CHEMBL872916)	Binding affinity of compound against 5-HT1Dalpha Binding affinity of compound against 5-HT1D alpha receptors in human
50006436	9	ChEMBL_2029 (CHEMBL616863)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor was determined using [3H]8-OH-DPAT as radioligand
50006436	1	ChEMBL_2008 (CHEMBL617303)	Selectivity towards 5-hydroxytryptamine 1D receptor beta to that of 5-hydroxytryptamine 1D receptor alpha
50006436	3	ChEMBL_1628 (CHEMBL616514)	Binding affinity towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate
50006436	8	ChEMBL_2026 (CHEMBL617321)	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta
50006436	7	ChEMBL_2027 (CHEMBL617322)	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta
50044086	7	ChEMBL_1336455 (CHEMBL3242599)	Binding affinity to wild type FLT3 (unknown origin)
50044087	1	ChEMBL_1336486 (CHEMBL3242763)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis
50006436	11	ChEMBL_2028 (CHEMBL616862)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor beta was determined using [3H]8-OH-DPAT as radioligand
50006437	1	ChEMBL_36773 (CHEMBL650295)	In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin II receptor type 1 in membrane fractions of bovine adrenal cortex
50044087	2	ChEMBL_1336487 (CHEMBL3242764)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis
50044087	3	ChEMBL_1336488 (CHEMBL3242765)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis
50044087	4	ChEMBL_1336492 (CHEMBL3242769)	Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by GF/C filters
50044088	1	ChEMBL_1337273 (CHEMBL3240887)	Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis
50044088	2	ChEMBL_1337274 (CHEMBL3240888)	Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis
50006443	1	ChEMBL_209973 (CHEMBL820628)	Binding affinity against L1210 Thymidylate synthase.
50044088	3	ChEMBL_1337276 (CHEMBL3240890)	Competitive inhibition of goat brain cathepsin B
50044088	4	ChEMBL_1337277 (CHEMBL3240891)	Inhibition of human liver cathepsin B
50044088	5	ChEMBL_1337278 (CHEMBL3240892)	Inhibition of human liver cathepsin H
50044089	1	ChEMBL_1337308 (CHEMBL3241032)	Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-evoked current by voltage clamp technique
50044089	2	ChEMBL_1337304 (CHEMBL3241028)	Antagonist activity at rat alpha3beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluorescent membrane potential assay
50044089	3	ChEMBL_1337301 (CHEMBL3241025)	Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by voltage clamp technique
50044089	4	ChEMBL_1337313 (CHEMBL3241175)	Antagonist activity at alpha3beta4 nAChR (unknown origin)
50044089	5	ChEMBL_1337303 (CHEMBL3241027)	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluorescent membrane potential assay
50044089	6	ChEMBL_1337300 (CHEMBL3241024)	Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells after 2 hrs by betaplate counting analysis
50044089	7	ChEMBL_1337312 (CHEMBL3241174)	Inhibition of human alpha3beta4 nAChR expressed in Xenopus laevis oocytes by two-electrode voltage clamp technique
50044089	8	ChEMBL_1337305 (CHEMBL3241029)	Antagonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of epibatadine-induced effect after 30 mins by fluorescent membrane potential assay
50044090	1	ChEMBL_1337320 (CHEMBL3241182)	Inhibition of Brk (unknown origin) using [gamma-33P]-ATP after 60 mins by scintillation counting
50044090	2	ChEMBL_1337319 (CHEMBL3241181)	Inhibition of human PIM2
50044090	3	ChEMBL_1337318 (CHEMBL3241180)	Inhibition of human NEK1
50044090	4	ChEMBL_1337317 (CHEMBL3241179)	Inhibition of human NEK2
50044090	5	ChEMBL_1337316 (CHEMBL3241178)	Inhibition of human CAMK4
50044090	6	ChEMBL_1337315 (CHEMBL3241177)	Inhibition of human MAPKAPK3
50044090	7	ChEMBL_1337321 (CHEMBL3241183)	Inhibition of human MAPKAPK5
50044090	8	ChEMBL_1337322 (CHEMBL3241184)	Inhibition of human MARK1
50044090	9	ChEMBL_1337692 (CHEMBL3242880)	Inhibition of human ALK1
50044090	10	ChEMBL_1337691 (CHEMBL3242879)	Inhibition of human Src
50044090	11	ChEMBL_1337323 (CHEMBL3241185)	Inhibition of human MARK3
50044090	12	ChEMBL_1337325 (CHEMBL3241187)	Inhibition of human AKT1
50044090	13	ChEMBL_1337326 (CHEMBL3241188)	Inhibition of human AKT2
50044090	14	ChEMBL_1337327 (CHEMBL3241189)	Inhibition of human AKT3
50044090	15	ChEMBL_1337328 (CHEMBL3241190)	Inhibition of human DMPK
50044090	16	ChEMBL_1337676 (CHEMBL3242864)	Inhibition of human VRK1
50044090	17	ChEMBL_1337677 (CHEMBL3242865)	Inhibition of human MST3
50044090	18	ChEMBL_1337678 (CHEMBL3242866)	Inhibition of human MST4
50044090	19	ChEMBL_1337679 (CHEMBL3242867)	Inhibition of human PAK1
50044090	20	ChEMBL_1337680 (CHEMBL3242868)	Inhibition of human PAK2
50044090	21	ChEMBL_1337681 (CHEMBL3242869)	Inhibition of human PAK3
50044090	22	ChEMBL_1337682 (CHEMBL3242870)	Inhibition of human ERK1
50044090	23	ChEMBL_1337683 (CHEMBL3242871)	Inhibition of human ERK2
50044090	24	ChEMBL_1337684 (CHEMBL3242872)	Inhibition of human GSK3beta
50044090	25	ChEMBL_1337685 (CHEMBL3242873)	Inhibition of human JNK1
50044090	26	ChEMBL_1337686 (CHEMBL3242874)	Inhibition of human JNK3
50044090	27	ChEMBL_1337688 (CHEMBL3242876)	Inhibition of human HIPK1
50044090	28	ChEMBL_1337687 (CHEMBL3242875)	Inhibition of human HIPK2
50044090	29	ChEMBL_1337689 (CHEMBL3242877)	Inhibition of human HIPK3
50044090	30	ChEMBL_1337690 (CHEMBL3242878)	Inhibition of human JAK3
50044091	1	ChEMBL_1337724 (CHEMBL3240043)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50006446	1	ChEMBL_202112 (CHEMBL808970)	Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]FPP as radioligand
50006448	1	ChEMBL_154537 (CHEMBL760257)	In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells
50006448	2	ChEMBL_153485 (CHEMBL761650)	In vitro transcriptional activation of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells
50044091	2	ChEMBL_1337725 (CHEMBL3240045)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50044091	3	ChEMBL_1337726 (CHEMBL3240046)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method
50006452	1	ChEMBL_70659 (CHEMBL678649)	Inhibitory activity against Gamma-amino-N-butyrate transaminase
50006453	1	ChEMBL_209813 (CHEMBL815678)	In vitro inhibitory activity against thymidylate synthase partially purified from L1210 mouse leukemia cells
50006454	2	ChEMBL_53713 (CHEMBL663641)	Average concentration of compound to cause 50% inhibition of topoisomerase-1
50006454	1	ChEMBL_53714 (CHEMBL663642)	Average concentration of compound to cause 50% inhibition of topoisomerase-1 isolated from calf thymus
50006457	2	ChEMBL_205731 (CHEMBL809498)	Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand
50006457	5	ChEMBL_205905 (CHEMBL814665)	Inhibitory activity against Tachykinin receptor 1 in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand
50006457	1	ChEMBL_208661 (CHEMBL813321)	Inhibitory activity against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligand
50006457	4	ChEMBL_205904 (CHEMBL814664)	Inhibitory activity against NK-1 receptors in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligand
50006458	2	ChEMBL_201512 (CHEMBL806971)	Binding affinity at serotonin transporter from rat brain striatal membrane by [3H]citalopram displacement.
50006458	1	ChEMBL_61841 (CHEMBL673211)	Binding affinity at dopamine transporter from rat striatal membrane tissue by [3H]CFT displacement.
50006459	1	ChEMBL_145771 (CHEMBL752789)	Inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD)
50006459	2	ChEMBL_149012 (CHEMBL758576)	Displacement of [3H]DAGO (1.28 nM) from Opioid receptor mu 1
50006459	3	ChEMBL_147059 (CHEMBL754879)	Displacement of [3H]DPDPE (0.63 nM) from Opioid receptor delta 1
50044091	4	ChEMBL_1337727 (CHEMBL3240047)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method
50006460	1	ChEMBL_31065 (CHEMBL641349)	Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement.
50006460	2	ChEMBL_29486 (CHEMBL641720)	Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes.
50006460	3	ChEMBL_32014 (CHEMBL649050)	Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells
50044091	5	ChEMBL_1337728 (CHEMBL3240048)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method
50044092	1	ChEMBL_1337743 (CHEMBL3240192)	Inhibition of purified ovine COX-1 by enzyme immunoassay
50044092	2	ChEMBL_1337744 (CHEMBL3240193)	Inhibition of human recombinant COX-2 by enzyme immunoassay
50044093	1	ChEMBL_1338133 (CHEMBL3242000)	Inhibition of C-terminal GST-tagged human G9a-mediated-methylation of histone3 expressed in Escherichia coli BL21(DE3) by MALDI-TOF mass spectrometry
50044093	2	ChEMBL_1338134 (CHEMBL3242001)	Inhibition of SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin after 5 mins by scintillation proximity assay in presence of [3H]-S-adenosyl-methionine
50044093	3	ChEMBL_1337749 (CHEMBL3240198)	Inhibition of methyl-transferase activity in GST-tagged recombinant SET7/9 (unknown origin) expressed in Escherichia coli BL21 using H3(1-20)-cys-biotin as substrate preincubated for 5 mins followed by substrate addition by ELISA
50044093	4	ChEMBL_1337750 (CHEMBL3240199)	Inhibition of 10 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity assay in presence of [3H]-S-adenosyl-methionine
50044093	5	ChEMBL_1338131 (CHEMBL3241998)	Inhibition of 50 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity assay in presence of [3H]-S-adenosyl-methionine
50044093	6	ChEMBL_1338132 (CHEMBL3241999)	Inhibition of 100 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity assay in presence of [3H]-S-adenosyl-methionine
50044094	1	ChEMBL_1338135 (CHEMBL3242002)	Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane after 90 mins by liquid scintillation counting analysis
50044094	2	ChEMBL_1338136 (CHEMBL3242003)	Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membrane co-transfected with Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting analysis
50006465	3	ChEMBL_209549 (CHEMBL811281)	Displacement of [125I]-labeled SP from the human Tachykinin receptor 3 expressed in CHO cells
50006465	4	ChEMBL_209020 (CHEMBL816315)	Displacement of [125I]-labeled SP from the human Tachykinin receptor 2 expressed in CHO cells
50006467	1	ChEMBL_72512 (CHEMBL685177)	Binding Affinity against Growth hormone secretagogue receptor of swine using [35S]MK-0677 as radioligand
50044094	3	ChEMBL_1338137 (CHEMBL3242004)	Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis
50044095	1	ChEMBL_1338536 (CHEMBL3241282)	Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISA
50044095	2	ChEMBL_1338537 (CHEMBL3241283)	Inhibition of fibronectin binding to human alpha5beta1 integrin receptor after 1 hr by competitive solid-phase binding ELISA
50044095	3	ChEMBL_1338538 (CHEMBL3241284)	Inhibition of fibrinogen binding to alpha2bbeta3 integrin receptor (unknown origin) after 1 hr by competitive solid-phase binding ELISA
50044095	4	ChEMBL_1338539 (CHEMBL3241285)	Inhibition of vitronectin binding to alphavbeta5 integrin receptor (unknown origin) after 1 hr by competitive solid-phase binding ELISA
50044095	5	ChEMBL_1338540 (CHEMBL3241286)	Inhibition of LAP binding to human alphavbeta6 integrin receptor after 1 hr by competitive solid-phase binding ELISA
50044096	1	ChEMBL_1338553 (CHEMBL3241430)	Transactivation of glucocorticoid receptor in human HeLa cells harboring MMTV promoter by luciferase reporter gene assay
50044096	2	ChEMBL_1338546 (CHEMBL3241423)	Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assay
50044096	3	ChEMBL_1338547 (CHEMBL3241424)	Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization assay
50044096	4	ChEMBL_1338548 (CHEMBL3241425)	Displacement of TAMRA-labeled dexamethasone from mineralocorticoid receptor (unknown origin) by fluorescence polarization assay
50044096	5	ChEMBL_1338549 (CHEMBL3241426)	Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as inhibition of IL-1-induced IL-6 production by trans-repression assay
50044097	1	ChEMBL_1338947 (CHEMBL3240507)	Binding affinity to HDM2 (unknown origin) by fluorescence polarization peptide displacement assay
50044098	1	ChEMBL_1338950 (CHEMBL3240510)	Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay
50044098	2	ChEMBL_1338951 (CHEMBL3240511)	Inhibition of ovine COX-1 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substrate challenge for 2 mins by enzyme immunoassay
50044098	3	ChEMBL_1338952 (CHEMBL3240512)	Inhibition of human recombinant COX-2 assessed as decrease in PGH2 production using arachidonic acid as substrate treated with enzyme for 10 mins prior to substrate challenge for 2 mins by enzyme immunoassay
50044099	1	ChEMBL_1338955 (CHEMBL3240515)	Inhibition of human full-length C-terminal His6-tagged sEH expressed in Escherichia coli BL21(DE3) cells using PHOME as substrate incubated with enzyme for 15 mins prior to substrate challenge for 50 mins by fluorescence plate reader analysis
50044100	1	ChEMBL_1339380 (CHEMBL3243714)	Inhibition of human recombinant caspase-3 using Ac-LDEVD-AMC as substrate after 10 mins by fluorescence assay
50044100	2	ChEMBL_1339381 (CHEMBL3243715)	Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate after 10 mins by fluorescence assay
50044101	1	ChEMBL_1339390 (CHEMBL3243724)	Displacement of [3H]chrysamine G from fibrillar amyloid beta (1 to 40) (unknown origin) after 1 hr by liquid scintillation spectrophotometric analysis
50044102	1	ChEMBL_1339397 (CHEMBL3243765)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measured after 15 mins by Ellman's method
50044102	2	ChEMBL_1339398 (CHEMBL3243766)	Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measured after 15 mins by Ellman's method
50044102	3	ChEMBL_1339402 (CHEMBL3243770)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measured after 15 mins by Ellman's method
50044103	1	ChEMBL_1339405 (CHEMBL3243773)	Inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins before substrate addition measured after 30 mins by fluorescence spectrophotometer analysis
50005010	1	ChEMBL_1970294 (CHEMBL4603112)	Inhibition of sepiapterin reductase (unknown origin)
50044103	2	ChEMBL_1339406 (CHEMBL3243774)	Competitive inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins before substrate addition measured after 30 mins by double-reciprocal plot analysis
50044104	1	ChEMBL_1339790 (CHEMBL3243495)	Inhibition of VEGF-A production in human HCT116 cells after 12 hrs by alphaLISA assay
50044105	1	ChEMBL_1335137 (CHEMBL3239686)	Inhibition of human ERG by MK-499 displacement binding analysis
50044105	2	ChEMBL_1339813 (CHEMBL3243518)	Competitive reversible inhibition of DPP4 (unknown origin)
50006475	1	ChEMBL_52843 (CHEMBL665047)	Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.
50006475	2	ChEMBL_53319 (CHEMBL665702)	Inhibitory activity against Toxoplasma gondii dihydrofolate reductase.
50006475	3	ChEMBL_55116 (CHEMBL884367)	Inhibitory activity against rat liver dihydrofolate reductase.
50006476	1	ChEMBL_159753 (CHEMBL762917)	In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2
50044105	3	ChEMBL_1339814 (CHEMBL3243519)	Inhibition of QPP (unknown origin)
50044105	4	ChEMBL_1339815 (CHEMBL3243520)	Inhibition of FAP (unknown origin)
50044105	5	ChEMBL_1335101 (CHEMBL3239608)	Inhibition of PEP (unknown origin)
50044105	6	ChEMBL_1335102 (CHEMBL3239609)	Inhibition of DPP8 (unknown origin)
50044105	7	ChEMBL_1335103 (CHEMBL3239610)	Inhibition of DPP9 (unknown origin)
50044105	8	ChEMBL_1335105 (CHEMBL3239612)	Inhibition of Cav1.2 (unknown origin)
50044105	9	ChEMBL_1335106 (CHEMBL3239613)	Inhibition of Nav1.5 (unknown origin)
50044105	10	ChEMBL_1335112 (CHEMBL3239619)	Inhibition of DPP4 in mouse plasma
50044106	1	ChEMBL_1335154 (CHEMBL3239703)	Inhibition of COX2 (unknown origin) by colorimetric method
50044107	1	ChEMBL_1335160 (CHEMBL3239709)	Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis
50044107	2	ChEMBL_1335161 (CHEMBL3239710)	Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis
50044108	1	ChEMBL_1335565 (CHEMBL3239420)	Agonist activity at human TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay
50006477	1	ChEMBL_124230 (CHEMBL733984)	Inhibitory activity against rat brain mitochondrial Monoamine oxidase B
50006477	3	ChEMBL_123444 (CHEMBL731835)	Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration
50006477	5	ChEMBL_123286 (CHEMBL732387)	Inhibitory concentration against rat brain mitochondrial Monoamine oxidase A (Expt 1)
50006477	2	ChEMBL_124231 (CHEMBL874044)	Inhibitory activity against rat brain mitochondrial Monoamine oxidase B 0.1(uM)
50006477	7	ChEMBL_123284 (CHEMBL731805)	Inhibitory concentration against Monoamine oxidase A
50044108	2	ChEMBL_1335566 (CHEMBL3239421)	Agonist activity at mouse TGR5 expressed in Jurkat cells assessed as intracellular cAMP level after 1 hr by HTRF assay
50006484	1	ChEMBL_31319 (CHEMBL644872)	In vitro inhibitory activity against rat kidney Aldehyde reductase, for experiment 2
50006485	12	ChEMBL_69637 (CHEMBL676825)	Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes
50006485	14	ChEMBL_69810 (CHEMBL677845)	Binding affinity for human GABA-A receptor alpha-6-beta-2-gamma-2 expressed in L(tk-) cell membranes
50006485	15	ChEMBL_69791 (CHEMBL678740)	Binding affinity for human GABA-A receptor alpha-3-beta-2-gamma-2 expressed in L(tk-) cell membranes
50044108	3	ChEMBL_1335568 (CHEMBL3239423)	Inhibition of CYP3A4 (unknown origin)
50006485	16	ChEMBL_69801 (CHEMBL678749)	Inhibition of [3H]flunitrazepam binding to high affinity GABA-A receptor of rat hippocampal membranes
50044108	4	ChEMBL_1335569 (CHEMBL3239424)	Inhibition of human ERG by patch clamp method
50036700	11	ChEMBL_216981 (CHEMBL822798)	Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax
50006491	5	ChEMBL_50713 (CHEMBL666792)	In vitro inhibitory activity against Cytochrome P450 19A1 using human placental microsomes.
50044108	6	ChEMBL_1335572 (CHEMBL3239427)	Agonist activity at TGR5 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation measured after 3 hrs by HTRF assay
50044108	7	ChEMBL_1335577 (CHEMBL3239432)	Inhibition of CYP2C9 (unknown origin)
50044108	8	ChEMBL_1335578 (CHEMBL3239433)	Inhibition of CYP2D6 (unknown origin)
50006494	3	ChEMBL_48098 (CHEMBL663085)	Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.
50006494	4	ChEMBL_47644 (CHEMBL659915)	Binding affinity against Cholecystokinin type A receptor using [125I](BH)-CCK-8 as radioligand in rat pancreas.
50044109	1	ChEMBL_1335612 (CHEMBL3239499)	Inhibition of JAK2 (unknown origin)
50044109	2	ChEMBL_1335613 (CHEMBL3239500)	Inhibition of JAK3 (unknown origin)
50006497	1	ChEMBL_54280 (CHEMBL669873)	Inhibition of human recombinant Dihydrofolate reductase enzyme
50006497	2	ChEMBL_54223 (CHEMBL668101)	Inhibition of Dihydrofolate reductase enzyme from Candida albicans
50044109	3	ChEMBL_1335624 (CHEMBL3239511)	Inhibition of human ERG
50044109	4	ChEMBL_1335625 (CHEMBL3239512)	Inhibition of JAK2 (unknown origin)-mediated STAT5 phosphorylation by AlphaScreen assay
50044110	1	ChEMBL_1336095 (CHEMBL3240806)	Displacement of [3H]PSB603 from human adenosine A2B receptor expressed in CHO cell membranes after 2 hrs by beta scintillation counting analysis
50044110	2	ChEMBL_1336082 (CHEMBL3240793)	Agonist activity at adenosine A1 receptor (unknown origin) expressed in CHO cells assessed as increase in intracellular cAMP level by RIA
50044110	3	ChEMBL_1336083 (CHEMBL3240794)	Agonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by EIA
50044110	4	ChEMBL_1336084 (CHEMBL3240795)	Agonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by EIA
50044110	5	ChEMBL_1336085 (CHEMBL3240796)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis
50006501	1	ChEMBL_162192 (CHEMBL873424)	In vitro inhibition of purine nucleoside phosphorylase isolated from human erythrocytes.
50006502	2	ChEMBL_63878 (CHEMBL675749)	Inhibition of Endothelin-3 (ET-3) binding to Endothelin B receptor binding sites in porcine cerebellar membranes.
50006502	1	ChEMBL_63347 (CHEMBL679112)	Inhibition of Endothelin-1 binding to Endothelin A receptor binding sites in MMQ cell membranes
50006504	1	ChEMBL_63697 (CHEMBL670653)	Inhibitory activity was evaluated against human Endothelin B receptor
50006504	2	ChEMBL_65491 (CHEMBL682366)	Inhibitory activity was evaluated against human Endothelin A receptor
50044110	6	ChEMBL_1336093 (CHEMBL3240804)	Agonist activity human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by radioligand addition measured after 90 mins by beta scintillation counting analysis
50044111	2	ChEMBL_1336096 (CHEMBL3240807)	Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA
50044111	3	ChEMBL_1336537 (CHEMBL3239967)	Inhibition of human ERG by patch clamp assay
50044111	4	ChEMBL_1336558 (CHEMBL3240129)	Inhibition of human full-length flag-tagged ACAT1 expressed in baculovirus infected insect cells using [14C]palmitoyl CoA as substrate after 10 mins by scintillation counting
50044111	5	ChEMBL_1336559 (CHEMBL3240130)	Inhibition of human liver flag-tagged DGAT2 expressed in baculovirus infected insect cells after 2 hrs by SPA
50044111	6	ChEMBL_1336920 (CHEMBL3242087)	Inhibition of human full-length flag-tagged ACAT2 expressed in baculovirus infected insect cells using [14C]palmitoyl CoA as substrate after 10 mins by scintillation counting
50044112	1	ChEMBL_1336951 (CHEMBL3242259)	Displacement of FITC-geldanamycin from recombinant TRAP1 (unknown origin) after 2 hrs by fluorescence polarization assay
50044112	2	ChEMBL_1336952 (CHEMBL3242260)	Inhibition of HSP90 in HEK cells expressing full-length mHtt Q73 gene assessed as reduction of mHtt level after 24 hrs by Western blot analysis
50044112	3	ChEMBL_1336953 (CHEMBL3242261)	Inhibition of HSP90 in Huntington's disease patient derived fibroblasts assessed as reduction of mHtt level after 48 hrs by Western blot analysis
50044112	4	ChEMBL_1336949 (CHEMBL3242257)	Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assay
50044112	5	ChEMBL_1336950 (CHEMBL3242258)	Displacement of FITC-geldanamycin from recombinant GRP94 (unknown origin) after 2 hrs by fluorescence polarization assay
50006511	1	ChEMBL_86903 (CHEMBL698413)	In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex
50044112	6	ChEMBL_1336948 (CHEMBL3242256)	Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assay
50044113	1	ChEMBL_1337340 (CHEMBL3241202)	Displacement of [125I]Tyr0sauvagine from human CRF1 receptor expressed in HEK293 cell membrane after 120 mins by gamma scintillation counting analysis
50044114	1	ChEMBL_1337341 (CHEMBL3241203)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting
50044114	2	ChEMBL_1337342 (CHEMBL3241204)	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting
50044115	1	ChEMBL_1337354 (CHEMBL3241348)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method
50044115	2	ChEMBL_1337355 (CHEMBL3241349)	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method
50006515	2	ChEMBL_28799 (CHEMBL641709)	Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rat liver microsomes
50044116	1	ChEMBL_1337358 (CHEMBL3241352)	Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis
50006516	3	ChEMBL_55115 (CHEMBL665442)	Inhibitory activity against rat liver dihydrofolate reductase
50044117	1	ChEMBL_1337382 (CHEMBL3241376)	Inhibition of human recombinant SIRT2 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorometric analysis
50044117	2	ChEMBL_1337383 (CHEMBL3241377)	Inhibition of human recombinant SIRT1 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorometric analysis
50044117	3	ChEMBL_1337751 (CHEMBL3240200)	Inhibition of human recombinant SIRT3 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorometric analysis
50044118	4	ChEMBL_1339020 (CHEMBL3243886)	Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting
50044119	1	ChEMBL_1339041 (CHEMBL3243099)	Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method
50044120	1	ChEMBL_1339456 (CHEMBL3243849)	Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric assay
50044120	2	ChEMBL_1339457 (CHEMBL3243850)	Inhibition of N-terminal His-6-tagged recombinant Aurora 2 (1 to 403) (unknown origin) expressed in baculovirus expression system by radiometric assay
50044120	3	ChEMBL_1339459 (CHEMBL3243852)	Inhibition of recombinant human Aurora A using peptide substrate PanVera Z'-Lyte kinase assay
50044120	4	ChEMBL_1339460 (CHEMBL3243853)	Inhibition of recombinant human Aurora B using peptide substrate PanVera Z'-Lyte kinase assay
50044120	5	ChEMBL_1339462 (CHEMBL3243855)	Inhibition of GST-tagged recombinant mouse Aurora A expressed in Sf9 cells using biotin-GLRRASLG as peptide substrate by [gamma-33S]ATP binding assay
50044120	6	ChEMBL_1339463 (CHEMBL3243856)	Inhibition of GST-tagged recombinant mouse Aurora B expressed in Sf9 cells using Biotin-TKQTARKSTGGKAPR as peptide substrate by [gamma-33S]ATP binding assay
50044120	7	ChEMBL_1339458 (CHEMBL3243851)	Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assay
50044120	8	ChEMBL_1339461 (CHEMBL3243854)	Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins
50044121	1	ChEMBL_1339870 (CHEMBL3243659)	Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge for 15 mins by Ellman's method
50006521	2	ChEMBL_140873 (CHEMBL752504)	In vitro inhibition of the specific binding of [3H]Gly to N-methyl-D-aspartate glutamate receptor 1 in rat whole brain membranes except cerebellum
50044122	1	ChEMBL_1335178 (CHEMBL3239762)	Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition measured after 30 mins by spectrophotometric analysis
50044123	1	ChEMBL_1335188 (CHEMBL3239772)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method
50044124	1	ChEMBL_1335195 (CHEMBL3239779)	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method
50044124	2	ChEMBL_1335196 (CHEMBL3239865)	Inhibition of calf intestinal alkaline phosphatase using p-nitrophenyl phosphate as substrate preincubated for 10 mins before substrate addition after 30 mins
50006525	2	ChEMBL_60202 (CHEMBL672164)	Binding affinity towards cloned human Dopamine receptor D2 stably expressed in CHO cells was evaluated using [3H]spiperone as radioligand
50006525	1	ChEMBL_60678 (CHEMBL674049)	Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]spiperone as radioligand
50006525	4	ChEMBL_62140 (CHEMBL675896)	Binding affinity towards cloned human Dopamine receptor D3 stably expressed in CHO cells was evaluated using [3H]spiperone as radioligand
50006526	1	ChEMBL_63104 (CHEMBL674497)	Displacement of [3H]spiperone from human Dopamine receptor D4 expressed in HEK293 cells
50006526	2	ChEMBL_62110 (CHEMBL674988)	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells
50006526	3	ChEMBL_60056 (CHEMBL671370)	Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO cells
50044124	3	ChEMBL_1335194 (CHEMBL3239778)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method
50044125	1	ChEMBL_1335667 (CHEMBL3239583)	Inhibition of CDK2/cyclin E (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of [gamma33P]ATP
50006530	2	ChEMBL_46621 (CHEMBL657119)	Binding affinity against brain cannabinoid receptor 1 using [3H]CP-55940 as radioligand at 0.25 nM concentration
50006530	3	ChEMBL_31438 (CHEMBL645311)	Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.
50006530	1	ChEMBL_46620 (CHEMBL657118)	Binding affinity against brain Cannabinoid receptor 1 using [3H]CP-55940 as radioligand at 1.1 nM concentration
50044125	2	ChEMBL_1335668 (CHEMBL3239584)	Inhibition of CK2alpha1 (unknown origin) using casein as substrate in presence of [gamma33P]ATP
50044125	3	ChEMBL_1335663 (CHEMBL3239579)	Inhibition of recombinant Abl kinase (unknown origin) expressed in Sf9 cells using GGEAIYAAPFKK as substrate in presence of [gamma33P]ATP
50044126	1	ChEMBL_1336114 (CHEMBL3240942)	Inhibition of HIV1 integrase strand transfer activity by gel-based assay
50044126	2	ChEMBL_1336115 (CHEMBL3240943)	Inhibition of HIV1 integrase 3'-processing activity by gel-based assays
50044127	1	ChEMBL_1336572 (CHEMBL3240143)	Inhibition of truncated ROCK-1 (unknown origin)
50044127	2	ChEMBL_1336571 (CHEMBL3240142)	Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay
50044127	3	ChEMBL_1336573 (CHEMBL3240144)	Inhibition of ROCK-2 in human GTM3 cells measured up to 2 days by cell impedance assay
50044128	1	ChEMBL_1336618 (CHEMBL3240356)	Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluorometric analysis
50044128	2	ChEMBL_1336619 (CHEMBL3240357)	Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 induction measured after 30 mins by ELISA
50044129	1	ChEMBL_1337014 (CHEMBL3242472)	Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mins by spectrophotometric analysis
50044129	2	ChEMBL_1337016 (CHEMBL3242474)	Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Lineweaver-Burk plot analysis
50044130	1	ChEMBL_1337402 (CHEMBL3241547)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	2	ChEMBL_1337403 (CHEMBL3241548)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	3	ChEMBL_1337404 (CHEMBL3241549)	Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	4	ChEMBL_1337405 (CHEMBL3241550)	Inhibition of human recombinant carbonic anhydrase 5A expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	5	ChEMBL_1337406 (CHEMBL3241551)	Inhibition of human recombinant carbonic anhydrase 5B expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	6	ChEMBL_1337407 (CHEMBL3241552)	Inhibition of human recombinant carbonic anhydrase 6 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	7	ChEMBL_1337408 (CHEMBL3241553)	Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	8	ChEMBL_1337409 (CHEMBL3241554)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	9	ChEMBL_1337410 (CHEMBL3241555)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044130	10	ChEMBL_1337411 (CHEMBL3241556)	Inhibition of human recombinant carbonic anhydrase 14 expressed in Escherichia coli by stopped flow CO2 hydration assay
50044131	1	ChEMBL_1337824 (CHEMBL3240450)	Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis
50044131	2	ChEMBL_1337825 (CHEMBL3240451)	Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis
50044131	3	ChEMBL_1337826 (CHEMBL3240654)	Displacement of [3H]-5-CT from human recombinant 5-HT7 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis
50044132	1	ChEMBL_1337847 (CHEMBL3240675)	Inhibition of HDAC8 (unknown origin)
50044132	2	ChEMBL_1337848 (CHEMBL3240676)	Inhibition of HDAC4 (unknown origin)
50044132	3	ChEMBL_1337849 (CHEMBL3240677)	Inhibition of HDAC11 (unknown origin)
50044132	4	ChEMBL_1337839 (CHEMBL3240667)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50044132	5	ChEMBL_1337840 (CHEMBL3240668)	Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50044132	6	ChEMBL_1337841 (CHEMBL3240669)	Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50044132	7	ChEMBL_1337842 (CHEMBL3240670)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50044133	1	ChEMBL_1338278 (CHEMBL3242721)	Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) by luminescence assay
50044133	2	ChEMBL_1338279 (CHEMBL3242722)	Inhibition of SIRT2 (unknown origin) by luminescence assay
50044133	3	ChEMBL_1338280 (CHEMBL3242723)	Inhibition of SIRT3 (unknown origin) by luminescence assay
50044134	1	ChEMBL_1338674 (CHEMBL3242012)	Binding affinity to recombinant PDE5 catalytic domain (unknown origin) by ITC analysis
50044135	1	ChEMBL_1338681 (CHEMBL3242019)	Inhibition of AChE (unknown origin) by Ellman colorimetric method
50006551	2	ChEMBL_28794 (CHEMBL641704)	In vitro inhibitory activity against acyl-coenzyme A:cholesterol acyltransferase 1 from rat hepatic microsomes.
50044136	1	ChEMBL_1338694 (CHEMBL3242032)	Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay
50006557	2	ChEMBL_30115 (CHEMBL642042)	Inhibition of [125I]fibrinogen binding to isolated GPIIb/IIIa
50006557	1	ChEMBL_30114 (CHEMBL642041)	Inhibition of [125I]fibrinogen binding to ADP-activated human gel filtered platelets
50006558	2	ChEMBL_63518 (CHEMBL877477)	Binding affinity towards human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from guinea pig cerebellum
50006558	6	ChEMBL_65645 (CHEMBL678557)	Binding affinity towards human Endothelin A receptor by measuring its ability to displace [125I]ET1 from CHO cells
50044136	2	ChEMBL_1338695 (CHEMBL3242033)	Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay
50006558	1	ChEMBL_63517 (CHEMBL677267)	Binding affinity towards human Endothelin B receptor by measuring its ability to displace [125I]ET-3 from CHO cells
50044136	3	ChEMBL_1338698 (CHEMBL3242036)	Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruitment by luminescence-based AlphaScreen assay
50044137	1	ChEMBL_1338714 (CHEMBL3242185)	Inhibition of recombinant human AChE by Ellman's method
50044137	2	ChEMBL_1339053 (CHEMBL3243111)	Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method
50044137	3	ChEMBL_1339057 (CHEMBL3243115)	Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method
50044137	4	ChEMBL_1339060 (CHEMBL3243118)	Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method
50044137	5	ChEMBL_1339067 (CHEMBL3243125)	Inhibition of human erythrocyte AChE
50044138	1	ChEMBL_1339080 (CHEMBL3243177)	Antagonist activity at ERbeta (unknown origin) expressed in human HepG2 cells assessed as inhibition of 17beta-estradiol-induced transcriptional activation after 24 hrs by ERE-luciferase reporter gene assay
50044138	2	ChEMBL_1339075 (CHEMBL3243172)	Agonist activity at ERalpha (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene assay
50044138	3	ChEMBL_1339077 (CHEMBL3243174)	Agonist activity at ERbeta (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene assay
50044139	1	ChEMBL_1339085 (CHEMBL3243182)	Inhibition of recombinant PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate assessed as inhibition of release of p-nitrophenol preincubated for 10 mins measured before substrate addition after 30 mins by spectrophotometry
50044139	2	ChEMBL_1339086 (CHEMBL3243183)	Inhibition of TCPTP (unknown origin) using p-nitrophenyl phosphate as substrate assessed as inhibition of release of p-nitrophenol preincubated for 10 mins measured before substrate addition after 30 mins by spectrophotometry
50044140	1	ChEMBL_1339876 (CHEMBL3243665)	Inhibition of biotinylated human RAGE assessed as bound amyloid beta level after 60 mins by ELISA
50044140	2	ChEMBL_1339877 (CHEMBL3243666)	Binding affinity to biotinylated human RAGE by surface plasmon resonance analysis
50044141	1	ChEMBL_1339900 (CHEMBL3243737)	Inhibition of human recombinant IDE-mediated amyloid beta (16 to 23) hydrolysis using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins measured after 30 mins by spectrophotometer analysis
50044141	2	ChEMBL_1339903 (CHEMBL3243740)	Inhibition of human recombinant IDE-mediated amyloid beta (1 to 40) hydrolysis preincubated for 10 mins measured after 30 mins by spectrophotometer analysis
50044141	3	ChEMBL_1339905 (CHEMBL3243742)	Induction of human recombinant IDE-mediated insulin hydrolysis preincubated for 10 mins measured after 30 mins by spectrophotometer analysis
50044141	4	ChEMBL_1339909 (CHEMBL3243746)	Inhibition of human NEP-mediated amyloid beta hydrolysis
50044141	5	ChEMBL_1339910 (CHEMBL3243747)	Inhibition of human recombinant ECE1-mediated amyloid beta hydrolysis after 45 mins by fluorimetry assay
50044141	6	ChEMBL_1339911 (CHEMBL3243748)	Inhibition of human ACE-mediated amyloid beta hydrolysis
50044141	7	ChEMBL_1339912 (CHEMBL3243749)	Inhibition of human recombinant ACE2-mediated amyloid beta hydrolysis using Mca-Tyr-Val-Ala-Asp-Pro-Ala-Lys-(DNP)-OH as substrate after 20 mins by fluorimetry assay
50044141	8	ChEMBL_1339913 (CHEMBL3243750)	Inhibition of human recombinant TACE-mediated amyloid beta hydrolysis after 5 mins by fluorimetry assay
50044141	9	ChEMBL_1339914 (CHEMBL3243751)	Inhibition of human recombinant MMP1-mediated amyloid beta hydrolysis using DNP-Pro-Cha-Gly- Cys(Me)-His-Ala- Lys(n-Me-Abz)-NH2 as substrate after 40 mins by fluorimetry assay
50044141	10	ChEMBL_1339915 (CHEMBL3243752)	Inhibition of human recombinant MMP13-mediated amyloid beta hydrolysis after 10 mins by fluorimetry assay
50044142	1	ChEMBL_1335231 (CHEMBL3239900)	Inhibition of DGAT1 (unknown origin)
50044142	2	ChEMBL_1335229 (CHEMBL3239898)	Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillation counting analysis
50044143	1	ChEMBL_1335246 (CHEMBL3238599)	Binding affinity to sigma 1 receptor (unknown origin)
50044143	2	ChEMBL_1335232 (CHEMBL3238585)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting analysis
50044144	1	ChEMBL_1335247 (CHEMBL3238600)	Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis
50044144	2	ChEMBL_1335253 (CHEMBL3238606)	Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate
50044144	3	ChEMBL_1335260 (CHEMBL3238613)	Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	4	ChEMBL_1335255 (CHEMBL3238608)	Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	5	ChEMBL_1335254 (CHEMBL3238607)	Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	6	ChEMBL_1335261 (CHEMBL3238614)	Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	7	ChEMBL_1335256 (CHEMBL3238609)	Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	8	ChEMBL_1335259 (CHEMBL3238612)	Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	9	ChEMBL_1335252 (CHEMBL3238605)	Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	10	ChEMBL_1335257 (CHEMBL3238610)	Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate
50044144	11	ChEMBL_1335258 (CHEMBL3238611)	Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate
50044145	1	ChEMBL_1335735 (CHEMBL3239734)	Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotometric analysis
50044145	2	ChEMBL_1335736 (CHEMBL3239735)	Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assay
50006565	11	ChEMBL_34637 (CHEMBL647282)	Binding affinity towards Alpha-1B adrenergic receptor native receptor in rat liver using [3H]prazosin as radioligand
50006565	13	ChEMBL_62893 (CHEMBL676132)	In vitro inhibitory activity against [3H]raclopride binding to Dopamine receptor D2
50006565	6	ChEMBL_34024 (CHEMBL646013)	Binding affinity towards Alpha-1A adrenergic receptor in rat hippocampus (+ 10 uM) CES membrane using [3H]prazosin as radioligand
50006565	9	ChEMBL_34319 (CHEMBL648103)	Binding affinity towards Alpha-1B adrenergic receptor cloned receptor hamster smooth muscle using [3H]prazosin as radioligand
50044146	1	ChEMBL_1336158 (CHEMBL3241118)	Inhibition of BACE-1 (unknown origin) by FRET assay
50006565	1	ChEMBL_33585 (CHEMBL647136)	Binding affinity towards Alpha-1A adrenergic receptor in bovine brain using [3H]-prazosin as radioligand
50044147	1	ChEMBL_1336163 (CHEMBL3241123)	Competitive inhibition of rat brain prolyl oligopeptidase
50044147	2	ChEMBL_1336164 (CHEMBL3241124)	Competitive inhibition of mouse brain prolyl oligopeptidase
50044147	3	ChEMBL_1336165 (CHEMBL3241125)	Inhibition of prolyl oligopeptidase (unknown origin)
50044147	4	ChEMBL_1336166 (CHEMBL3241126)	Inhibition of porcine prolyl oligopeptidase using Z-Gly-Pro-AMC as substrate after 60 mins by double-reciprocal plot analysis
50044148	1	ChEMBL_1334824 (CHEMBL3238998)	Agonist activity at CB1 receptor in Swiss Webster mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50044148	2	ChEMBL_1334790 (CHEMBL3238897)	Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin challenge measured after 30 mins by HTRF assay
50044148	3	ChEMBL_1334651 (CHEMBL3239851)	Displacement of [3H]-CP55940 from human CB1 receptor by liquid scintillation counting in presence of serine protease inhibitor PMSF
50044148	4	ChEMBL_1334635 (CHEMBL3239835)	Agonist activity at CB1 receptor (unknown origin) assessed as cAMP production
50044148	5	ChEMBL_1334645 (CHEMBL3239845)	Displacement of [3H]Win55212-2 from CB2 receptor of rat spleen by liquid scintillation counting
50044148	6	ChEMBL_1334623 (CHEMBL3239823)	Binding affinity to human CB2 receptor
50044148	7	ChEMBL_1334628 (CHEMBL3239828)	Displacement of [3H]-CP55940 from rat CB1 receptor by liquid scintillation spectrometry
50044148	8	ChEMBL_1334653 (CHEMBL3239853)	Displacement of [3H]-CP55940 from CB2 receptor of rat spleen membranes by liquid scintillation counting in presence of serine protease inhibitor PMSF
50044148	9	ChEMBL_1334813 (CHEMBL3238920)	Displacement of [3H]SR141716A from rat CB1 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry
50044148	10	ChEMBL_1334622 (CHEMBL3239822)	Binding affinity to human CB1 receptor
50044148	11	ChEMBL_1334639 (CHEMBL3239839)	Displacement of [3H]-CP55940 from human CB1 receptor by liquid scintillation counting
50044148	12	ChEMBL_1334625 (CHEMBL3239825)	Binding affinity to rat CB1 receptor
50044148	13	ChEMBL_1334629 (CHEMBL3239829)	Displacement of [3H]-CP55940 from rat CB2 receptor by liquid scintillation spectrometry
50044148	14	ChEMBL_1334642 (CHEMBL3239842)	Displacement of [3H]HU-243 from CB1 receptor of rat brain synaptosomal membranes
50044148	15	ChEMBL_1334808 (CHEMBL3238915)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET assay
50044148	16	ChEMBL_1334788 (CHEMBL3238895)	Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production preincubated for 15 mins followed by forskolin challenge measured after 30 mins by HTRF assay
50044148	17	ChEMBL_1334809 (CHEMBL3238916)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET assay
50044148	18	ChEMBL_1334786 (CHEMBL3238893)	Agonist activity at human CB2 receptor transfected in CHO-K1 cells assessed as cAMP change
50044148	19	ChEMBL_1334811 (CHEMBL3238918)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting
50044148	20	ChEMBL_1334657 (CHEMBL3239857)	Binding affinity to CB2 receptor (unknown origin)
50044148	21	ChEMBL_1334658 (CHEMBL3239858)	Binding affinity to CB1 receptor (unknown origin)
50044148	22	ChEMBL_1334656 (CHEMBL3239856)	Activation of human VR1 expressed in HEK293 cells assessed as stimulation of Ca2+ influx by Fluo-3 staining-based fluorescence assay
50044148	23	ChEMBL_1334638 (CHEMBL3239838)	Displacement of [3H]Win55212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting
50044148	24	ChEMBL_1334829 (CHEMBL3239003)	Binding affinity to human CB2 receptor in presence of serine protease inhibitor PMSF
50044148	25	ChEMBL_1334806 (CHEMBL3238913)	Agonist activity at human CB2 receptor expressed in Sf9 membranes assessed as effect on [35S]-GTPgammaS binding after 30 mins by scintillation counting
50044148	26	ChEMBL_1334807 (CHEMBL3238914)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as effect on [35S]-GTPgammaS binding after 30 mins by scintillation counting
50044148	27	ChEMBL_1334652 (CHEMBL3239852)	Displacement of [3H]-CP55940 from CB1 receptor of rat cerebellar membranes by liquid scintillation counting in presence of serine protease inhibitor PMSF
50044148	28	ChEMBL_1334663 (CHEMBL3239863)	Inverse agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation
50044148	29	ChEMBL_1334814 (CHEMBL3238921)	Displacement of [3H]-CP55940 from rat CB2 receptor expressed in CHO-K1 cells by liquid scintillation spectrophotometry
50044148	30	ChEMBL_1334636 (CHEMBL3239836)	Displacement of [3H]SR141716A from rat brain CB1 receptor by liquid scintillation spectrophotometry
50044148	31	ChEMBL_1334816 (CHEMBL3238923)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting
50044148	32	ChEMBL_1334659 (CHEMBL3239859)	Displacement of [3H]-CP55940 from CB2 receptor of mouse spleen membranes
50044148	33	ChEMBL_1334637 (CHEMBL3239837)	Binding affinity to human CB1 receptor in presence of serine protease inhibitor PMSF
50044148	34	ChEMBL_1334815 (CHEMBL3238922)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting
50044148	35	ChEMBL_1334655 (CHEMBL3239855)	Activation of human VR1 expressed in HEK293 cells assessed as stimulation of Ca2+ influx
50044148	36	ChEMBL_1334662 (CHEMBL3239862)	Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation
50044148	37	ChEMBL_1334626 (CHEMBL3239826)	Binding affinity to mouse spleen CB2 receptor
50044148	38	ChEMBL_1334810 (CHEMBL3238917)	Agonist activity at human CB2 receptor expressed in Saccharomyces cerevisiae MMY23 using fluorescein di-beta-D-glucopyranoside as substrate after 24 hrs by fluorescence-based assay
50044148	39	ChEMBL_1334812 (CHEMBL3238919)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting
50006566	22	ChEMBL_106225 (CHEMBL715052)	Antagonistic activity against mGluR2 was determined
50044148	40	ChEMBL_1334791 (CHEMBL3238898)	Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced cAMP production
50044148	41	ChEMBL_1334660 (CHEMBL3239860)	Displacement of [3H]-CP55940 from CB1 receptor of rat brain
50044148	42	ChEMBL_1334664 (CHEMBL3239864)	Agonist activity at human CB2 receptor
50044148	43	ChEMBL_1334630 (CHEMBL3239830)	Displacement of [3H]-CP55940 from human CB1 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometry
50044148	44	ChEMBL_1334805 (CHEMBL3238912)	Agonist activity at CB1 receptor (unknown origin)
50044148	45	ChEMBL_1334665 (CHEMBL3238548)	Agonist activity at human CB1 receptor
50044148	46	ChEMBL_1334826 (CHEMBL3239000)	Displacement of [3H]-CP55940 from mouse CB2 receptor by liquid scintillation counting
50044148	47	ChEMBL_1334802 (CHEMBL3238909)	Agonist activity at human CB1 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay
50044148	48	ChEMBL_1334801 (CHEMBL3238908)	Agonist activity at human CB2 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay
50044148	49	ChEMBL_1334661 (CHEMBL3239861)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK cells by liquid scintillation counting
50044148	50	ChEMBL_1334787 (CHEMBL3238894)	Agonist activity at human CB1 receptor transfected in CHO-K1 cells assessed as cAMP change
50044148	51	ChEMBL_1334631 (CHEMBL3239831)	Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cells after 30 mins by liquid scintillation spectrometry
50044148	52	ChEMBL_1334796 (CHEMBL3238903)	Binding affinity to rat CB2 receptor
50044148	53	ChEMBL_1334643 (CHEMBL3239843)	Displacement of [3H]HU-243 from human CB2 receptor
50044148	54	ChEMBL_1334640 (CHEMBL3239840)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells by liquid scintillation counting
50044148	55	ChEMBL_1334819 (CHEMBL3238993)	Agonist activity at human CB1 receptor expressed in Saccharomyces cerevisiae MMY23 using fluorescein di-beta-D-glucopyranoside as substrate after 24 hrs by fluorescence-based assay
50044148	56	ChEMBL_1334804 (CHEMBL3238911)	Agonist activity at CB2 receptor (unknown origin)
50044148	57	ChEMBL_1334792 (CHEMBL3238899)	Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced cAMP production
50044149	1	ChEMBL_1334838 (CHEMBL3239012)	Inhibition of ATPase activity in Staphylococcus aureus GyrB tetramer in presence of Escherichia coli GyrA by ammonium molybdate/malachite green-based absorbance assay
50044150	1	ChEMBL_1334705 (CHEMBL3238652)	Binding affinity to sigma-1 opioid receptor (unknown origin)
50044150	2	ChEMBL_1334697 (CHEMBL3238580)	Binding affinity to dopamine D2 receptor (unknown origin) by radioligand binding assay
50044150	3	ChEMBL_1334696 (CHEMBL3238579)	Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay
50044150	4	ChEMBL_1334695 (CHEMBL3238578)	Binding affinity to dopamine D4 receptor (unknown origin) by radioligand binding assay
50044150	5	ChEMBL_1334703 (CHEMBL3238650)	Binding affinity to guinea pig hippocampus sigma-1 opioid receptor
50044150	6	ChEMBL_1334700 (CHEMBL3238583)	Binding affinity to guinea pig brain membrane sigma-1 opioid receptor by radioligand displacement assay
50044150	7	ChEMBL_1334688 (CHEMBL3238571)	Displacement of [3H](+)-pentazocine from sigma-1 opioid receptor in rat brain
50044150	8	ChEMBL_1334682 (CHEMBL3238565)	Displacement of [3H]pentazocine from sigma-1 opioid receptor in rat liver membranes after 1 hr by liquid scintillation spectrometric analysis
50044150	9	ChEMBL_1334692 (CHEMBL3238575)	Displacement of (+)-[3H]-pentazocine from sigma-1 opioid receptor in guinea pig brain
50044151	1	ChEMBL_1335283 (CHEMBL3238707)	Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50044151	2	ChEMBL_1335282 (CHEMBL3238706)	Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50006570	1	ChEMBL_200029 (CHEMBL810718)	Inhibitory activity against Selectin P IgG chimera binding to HL-60 cells, by binding to Selectin P
50006571	1	ChEMBL_162259 (CHEMBL772438)	Inhibitory activity against Protein-tyrosine phosphatase 1B-mediated dephosphorylation of phosphorylated insulin receptor using (CHO) cell line transfected with an expression plasmid encoding the normal human insulin receptor [CHO/HIRc]
50044151	3	ChEMBL_1335281 (CHEMBL3238705)	Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50006573	2	ChEMBL_63357 (CHEMBL679121)	Inhibitory activity against the Endothelin A receptor of rat MMQ cells
50006573	1	ChEMBL_64008 (CHEMBL671389)	Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum
50006573	3	ChEMBL_65499 (CHEMBL682972)	Radioligand binding selectivity to human Endothelin A receptor in chinese hamster ovary cells
50006573	7	ChEMBL_63851 (CHEMBL673235)	Inhibitory activity against human Endothelin B receptor in chinese hamster ovary cells
50044151	4	ChEMBL_1335280 (CHEMBL3238704)	Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50044151	5	ChEMBL_1335279 (CHEMBL3238703)	Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50044151	6	ChEMBL_1335278 (CHEMBL3238702)	Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK293 cells
50044151	7	ChEMBL_1334748 (CHEMBL3238772)	Displacement of [3H]-alpha-BTX from rat alpha7 nAChR incubated for 30 mins
50044151	8	ChEMBL_1334749 (CHEMBL3238773)	Displacement of [125I]-alpha-BTX from rat alpha7 nAChR after 4 hrs by liquid scintillation counting analysis
50044151	9	ChEMBL_1335291 (CHEMBL3238715)	Displacement of [3H]MLA from rat alpha7 nAChR
50044151	10	ChEMBL_1335290 (CHEMBL3238714)	Binding affinity to alpha7 nAChR (unknown origin)
50044151	11	ChEMBL_1335287 (CHEMBL3238711)	Displacement of [125I]alpha-bungarotoxin from Sprague-Dawley rat brain alpha7-nAChR after 3 hrs
50044151	12	ChEMBL_1335296 (CHEMBL3238720)	Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis
50044151	13	ChEMBL_1335284 (CHEMBL3238708)	Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analysis
50006582	1	ChEMBL_1116 (CHEMBL616061)	Binding affinity towards 5-hydroxytryptamine 1A receptor in the rat brain (hippocampus) using [3H]8-OH-DPAT
50044151	14	ChEMBL_1335294 (CHEMBL3238718)	Displacement of [125I]-alpha-BTX from rat alpha7-nAChR after 2 hrs by scintillation counting analysis
50044151	15	ChEMBL_1335292 (CHEMBL3238716)	Binding affinity to rat brain alpha7 nAChR
50044152	1	ChEMBL_1335297 (CHEMBL3238721)	Inhibition of DPP4 (unknown origin)
50044153	1	ChEMBL_1335299 (CHEMBL3238723)	Inhibition of AChE (unknown origin)
50044153	2	ChEMBL_1335300 (CHEMBL3238724)	Inhibition of AChE (unknown origin)-mediated amyloid beta aggregation
50044153	3	ChEMBL_1335303 (CHEMBL3238727)	Inhibition of AChE (unknown origin) assessed as inhibition of ROS production
50044153	4	ChEMBL_1335304 (CHEMBL3238728)	Inhibition of amyloid beta (unknown origin) aggregation
50044154	1	ChEMBL_1335308 (CHEMBL3238805)	Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells
50006585	1	ChEMBL_86902 (CHEMBL698412)	In vitro antagonistic activity against Histamine H3 receptor on Synaptosomes of rat cerebral cortex.
50006585	2	ChEMBL_85823 (CHEMBL697662)	In vitro antagonistic activity against Histamine H3 receptor on Synaptosomes of rat cerebral cortex.
50044154	2	ChEMBL_1335309 (CHEMBL3238806)	Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells
50044154	3	ChEMBL_1335310 (CHEMBL3238807)	Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells
50044154	4	ChEMBL_1335312 (CHEMBL3238809)	Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane potential blue assay
50044154	5	ChEMBL_1335313 (CHEMBL3238810)	Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane potential blue assay
50044154	6	ChEMBL_1335317 (CHEMBL3238814)	Displacement of [3H]-serotonin from human SERT expressed in African green monkey COS7 cells after 10 mins
50044154	7	ChEMBL_1335318 (CHEMBL3238815)	Displacement of [3H]-dopamine from human DAT expressed in African green monkey COS7 cells after 10 mins
50044154	8	ChEMBL_1335319 (CHEMBL3238816)	Displacement of [3H]-dopamine from human NET expressed in African green monkey COS7 cells after 10 mins
50044154	9	ChEMBL_1335320 (CHEMBL3238817)	Inhibition of MAOA (unknown origin)
50044154	10	ChEMBL_1335321 (CHEMBL3238818)	Inhibition of MAOB (unknown origin)
50044154	11	ChEMBL_1335306 (CHEMBL3238803)	Displacement of [3H]cytisine from alpha7 nAChR (unknown origin)
50044154	12	ChEMBL_1335307 (CHEMBL3238804)	Displacement of [3H]cytisine from alpha4/beta2 nAChR (unknown origin)
50044155	1	ChEMBL_1335767 (CHEMBL3239797)	Inhibition of BRAF (unknown origin)
50044155	2	ChEMBL_1335762 (CHEMBL3239792)	Inhibition of N-terminal 6X-His tagged human wild-type BRAF by ELISA
50044155	3	ChEMBL_1335757 (CHEMBL3239787)	Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation
50044155	4	ChEMBL_1335766 (CHEMBL3239796)	Inhibition of VEGFR2 (unknown origin)
50044155	5	ChEMBL_1335760 (CHEMBL3239790)	Inhibition of EGFR (unknown origin)
50044156	1	ChEMBL_1336209 (CHEMBL3241316)	Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarization anisotropy assay
50044156	2	ChEMBL_1336210 (CHEMBL3241458)	Binding affinity to recombinant human RPA70 A/B region (181 to 422 amino acids) expressed in Escherichia coli Rosetta by fluorescence polarization anisotropy assay
50044157	1	ChEMBL_1336216 (CHEMBL3241464)	Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis
50044157	2	ChEMBL_1336217 (CHEMBL3241465)	Agonist activity at human H4 receptor
50044157	3	ChEMBL_1336219 (CHEMBL3241467)	Displacement of [3H]histamine from mouse histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis
50044157	4	ChEMBL_1336221 (CHEMBL3241469)	Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis
50044157	5	ChEMBL_1336226 (CHEMBL3241474)	Partial agonist activity at mouse histamine H4 receptor
50006589	2	ChEMBL_216993 (CHEMBL822808)	Inhibition of tyrosine kinase c-Src
50006589	6	ChEMBL_226183 (CHEMBL846549)	Inhibition of tyrosine kinase v-Abl
50006589	5	ChEMBL_216989 (CHEMBL822805)	Inhibition of tyrosine kinase c-Src
50006590	1	ChEMBL_29152 (CHEMBL639432)	Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA displacement.
50006590	3	ChEMBL_30474 (CHEMBL640329)	Binding affinity for [125I]AB-MECA against rat Adenosine A3 receptor
50044157	6	ChEMBL_1336243 (CHEMBL3241491)	Displacement of [3H]histamine from rat histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis
50044157	7	ChEMBL_1336245 (CHEMBL3241493)	Binding affinity to guinea pig histamine H4 receptor
50044158	1	ChEMBL_1337063 (CHEMBL3242797)	Antagonist activity at human recombinant CRTh2 expressed in CHO-K1 cells by cAMP TR FRET assay
50044158	2	ChEMBL_1337061 (CHEMBL3242795)	Antagonist activity at CRTh2 in human peripheral blood assessed as inhibition of PGD2-induced eosinophil shape change at room temperature by flow cytometry
50044158	3	ChEMBL_1336704 (CHEMBL3240852)	Antagonist activity at TXA2 receptor (unknown origin) by FRET assay
50044158	4	ChEMBL_1336705 (CHEMBL3240853)	Binding affinity to DP1 receptor (unknown origin) by FRET assay
50044158	5	ChEMBL_1336706 (CHEMBL3240854)	Inhibition of mouse CRTH2 receptor
50044158	6	ChEMBL_1336707 (CHEMBL3240855)	Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils
50044158	7	ChEMBL_1336708 (CHEMBL3240856)	Binding affinity to human CRTH2 receptor
50044158	8	ChEMBL_1337036 (CHEMBL3242639)	Inhibition of CYP2C9 (unknown origin)
50044158	9	ChEMBL_1337037 (CHEMBL3242640)	Inhibition of CYP3A4 (unknown origin)
50044158	10	ChEMBL_1337038 (CHEMBL3242641)	Inhibition of CYP2D6 (unknown origin)
50044158	11	ChEMBL_1337039 (CHEMBL3242642)	Inhibition of CYP2C19 (unknown origin)
50044158	12	ChEMBL_1337040 (CHEMBL3242643)	Inhibition of CYP2B6 (unknown origin)
50044158	13	ChEMBL_1337041 (CHEMBL3242644)	Inhibition of CYP2A6 (unknown origin)
50044158	14	ChEMBL_1337042 (CHEMBL3242645)	Inhibition of CYP1A2 (unknown origin)
50044159	1	ChEMBL_1337093 (CHEMBL3242827)	Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assay
50044159	2	ChEMBL_1337094 (CHEMBL3242828)	Binding affinity to recombinant human Keap1 Kelch domain (321 to 609) expressed in Escherichia coli BL21(DE3)pLysS cells after 30 mins by fluorescence anisotropy assay
50044159	3	ChEMBL_1337095 (CHEMBL3242829)	Displacement of FITC-LDEETGEFL-NH2 from Keap1 Kelch domain (unknown origin) after 30 mins by fluorescence polarization assay
50044160	1	ChEMBL_1337471 (CHEMBL3241939)	Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response by two-electrode voltage clamp technique relative to control
50044160	2	ChEMBL_1337490 (CHEMBL3241958)	Inhibition of rat recombinant GluN1/GluN2A expressed in Xenopus laevis oocytes assessed as reduction in current response
50044160	3	ChEMBL_1337491 (CHEMBL3241959)	Inhibition of rat recombinant GluN1/GluN2B expressed in Xenopus laevis oocytes assessed as reduction in current response
50044160	4	ChEMBL_1337492 (CHEMBL3241960)	Inhibition of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as reduction in current response
50044160	5	ChEMBL_1337493 (CHEMBL3241961)	Inhibition of rat recombinant GluN1/GluN2D expressed in Xenopus laevis oocytes assessed as reduction in current response
50044161	1	ChEMBL_1337494 (CHEMBL3241962)	Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation
50006595	1	ChEMBL_196745 (CHEMBL803155)	Binding affinity towards purified recombinant human placental S-adenosyl-L-homocysteine hydrolase
50006596	2	ChEMBL_28798 (CHEMBL641708)	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.
50006598	2	ChEMBL_158380 (CHEMBL769581)	Inhibitory activity was evaluated against Post-proline cleaving enzyme from rat brain
50044161	2	ChEMBL_1337495 (CHEMBL3241963)	Inhibition of human cytidine deaminase by spectrophotometrically
50006598	1	ChEMBL_158379 (CHEMBL769580)	Inhibitory activity was evaluated against Post-proline cleaving enzyme (PPCE) from rat cortex
50006598	5	ChEMBL_158377 (CHEMBL769578)	Inhibitory activity was evaluated against Post-proline cleaving enzyme from bovine brain
50006598	4	ChEMBL_158374 (CHEMBL769575)	Inhibitory activity was evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum
50006600	1	ChEMBL_197404 (CHEMBL799794)	Apparent binding constant against Retinoic acid receptor alpha in HeLa cell GAl-4 transactivation assay
50006600	2	ChEMBL_195489 (CHEMBL798911)	Apparent binding constant for Retinoic acid receptor beta in HeLa cellGAL-4 transactivation assay
50006600	3	ChEMBL_196002 (CHEMBL797866)	Apparent binding constant against Retinoic acid receptor gamma in HeLa cell GAl-4 transactivation assay
50006603	14	ChEMBL_39445 (CHEMBL653021)	Displacement of [3H]PK11195 binding from peripheral benzodiazepine receptor in C6 rat glioma cell line
50044162	1	ChEMBL_1337879 (CHEMBL3240906)	Inhibition of human SYK (360 to 635) using biotin-EPEGDYEEVLE as substrate preincubated for 10 mins followed by substrate/ATP/[33Pgamma]ATP addition measured after 15 mins by scintillation counting analysis
50006603	11	ChEMBL_39280 (CHEMBL650541)	Displacement of [3H]PK11195 binding from peripheral benzodiazepine receptor in MA-10 mouse tumor Leydig cells
50006603	2	ChEMBL_62235 (CHEMBL675746)	Binding affinity of [3H]U-86170 towards Dopamine receptor D2 in cloned mammalian receptor expressed in cultured cells or from rat whole brain
50006603	10	ChEMBL_58523 (CHEMBL872493)	Binding affinity of [3H]SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.
50006603	12	ChEMBL_62752 (CHEMBL674593)	Binding affinity of [3H]spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.
50006603	4	ChEMBL_62246 (CHEMBL671578)	Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand
50006603	9	ChEMBL_1096 (CHEMBL616419)	Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole brain.
50006603	5	ChEMBL_60981 (CHEMBL671599)	Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain
50006603	13	ChEMBL_62755 (CHEMBL674595)	Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand
50044162	2	ChEMBL_1337883 (CHEMBL3240910)	Inhibition of SYK in human whole blood assessed as anti-human IgM-induced CD69 protein expression preincubated for 30 mins followed by anti-human IgM addition measured after 20 hrs by flow cytometric analysis
50044162	3	ChEMBL_1337884 (CHEMBL3240911)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50044162	4	ChEMBL_1337889 (CHEMBL3240916)	Inhibition of CYP3A4 in human liver microsomal fraction assessed as midazolam-1'-hydroxylation preincubated for 10 mins followed by NADPH addition measured after 5 to 20 mins by RF-MS analysis
50044162	5	ChEMBL_1337890 (CHEMBL3240917)	Inhibition of CYP2C9 in human liver microsomal fraction assessed as diclofenac-4'-hydroxylation preincubated for 10 mins followed by NADPH addition measured after 5 to 20 mins by RF-MS analysis
50044162	6	ChEMBL_1337891 (CHEMBL3240918)	Inhibition of CYP2D6 in human liver microsomal fraction assessed as dextromethorphan O-demethylase preincubated for 10 mins followed by NADPH addition measured after 5 to 20 mins by RF-MS analysis
50044163	1	ChEMBL_1337921 (CHEMBL3241054)	Inhibition of Rac1 in human MDA-MB-435 cells after 24 hrs by G-LISA assay
50044164	1	ChEMBL_1337926 (CHEMBL3241059)	Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly ADP-ribose onto histone proteins measured without activation by GSH by colorimetric analysis
50044164	2	ChEMBL_1337925 (CHEMBL3241058)	Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly ADP-ribose onto histone proteins by colorimetric analysis in presence of GSH and GSTP1
50044165	1	ChEMBL_1338348 (CHEMBL3240084)	Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC as substrate
50044165	2	ChEMBL_1338353 (CHEMBL3240089)	Inhibition of beta5i subunit of immunoproteasome (unknown origin) by active-site ELISA
50044165	3	ChEMBL_1338352 (CHEMBL3240088)	Inhibition of beta5 subunit of immunoproteasome (unknown origin) by active-site ELISA
50044165	4	ChEMBL_1338349 (CHEMBL3240085)	Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as substrate
50044165	5	ChEMBL_1338354 (CHEMBL3240090)	Inhibition of recombinant cathepsin A (unknown origin) using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys(Dnp)-OH as substrate incubated with enzyme for 5 mins prior to substrate challenge for 2 hrs by spectrofluorometer analysis
50044165	6	ChEMBL_1338355 (CHEMBL3240091)	Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC as substrate by spectrofluorometer analysis
50044165	7	ChEMBL_1338356 (CHEMBL3240092)	Inhibition of recombinant cathepsin G (unknown origin) using Suc-Ala-Ala-Pro-Phe-AMC as substrate by spectrofluorometer analysis
50044165	8	ChEMBL_1338347 (CHEMBL3240083)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate
50044166	1	ChEMBL_1338728 (CHEMBL3242199)	Displacement of [125I]-glucagon from recombinant human GCGR expressed in CHO cells after 60 mins by scintillation counting analysis
50044166	2	ChEMBL_1338729 (CHEMBL3242200)	Displacement of [125I]-glucagon from GCGR in mouse liver membranes after 60 mins by scintillation counting analysis
50006614	3	ChEMBL_54120 (CHEMBL668278)	Inhibitory concentration against dihydrofolate reductase enzyme (DHFR) enzyme isolated from CCRF-CEM human leukemia cells.
50006614	1	ChEMBL_68519 (CHEMBL676943)	Inhibitory concentration against human Folyl-polyglutamate synthase isolated from CCRF-CEM human leukemia cells.
50006614	4	ChEMBL_68521 (CHEMBL676945)	Inhibitory activity against mammalian Folyl-polyglutamate synthase
50006616	3	ChEMBL_61828 (CHEMBL879860)	Displacement of [125I]RTI-55 from dopamine transporter of rat brain membranes
50006616	2	ChEMBL_201802 (CHEMBL806137)	Displacement of [3H]paroxetine from Serotonin transporter of rat frontal cortex membrane
50006616	1	ChEMBL_142970 (CHEMBL751450)	Displacement of [3H]-nisoxatine from Norepinephrine transporter of rat forebrain membrane
50006619	1	ChEMBL_216470 (CHEMBL818540)	Compound was tested for the binding affinity against alpha-chymotrypsin
50006620	1	ChEMBL_195255 (CHEMBL796773)	Inhibitory activity against CDP reductase.
50044166	3	ChEMBL_1338730 (CHEMBL3242201)	Antagonist activity at human GLP-1R expressed in CHO cells assessed as inhibition of GLP-1-stimulated cAMP production preincubated for 30 mins followed by GLP-1 induction measured after 45 mins by LANCE assay
50044166	4	ChEMBL_1338727 (CHEMBL3242198)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-stimulated cAMP production preincubated for 30 mins followed by glucagon induction measured after 45 mins by LANCE assay
50006622	2	ChEMBL_48865 (CHEMBL661321)	Inhibition of Cell division cycle 2 (cdc2) kinase
50006622	1	ChEMBL_48875 (CHEMBL662131)	Inhibition of Cell division cycle 25 (Cdc25) phosphatase
50006625	2	ChEMBL_70283 (CHEMBL679602)	Inhibition of [3H]FPP incorporation into Ha-Ras by Farnesyltransferase
50006625	3	ChEMBL_71811 (CHEMBL683642)	Inhibition of bovine Geranylgeranyl transferase type I
50006627	6	ChEMBL_71969 (CHEMBL684162)	Inhibition of geranylgeranylation of P21rap in human PC-3 prostate cancer cells
50006627	1	ChEMBL_71971 (CHEMBL684164)	Inhibition of geranylgeranylation of P21rap in human PC-3 prostate cancer cells
50006627	3	ChEMBL_70563 (CHEMBL682091)	Inhibition of farnesylation of P21ras protein in human PC-3 prostate cancer cell line by proliferation analysis
50006627	2	ChEMBL_71970 (CHEMBL684163)	Inhibition of geranylgeranylation of P21rap in human PC-3 prostate cancer cells
50006627	5	ChEMBL_71968 (CHEMBL684161)	Inhibition of geranylgeranylation of P21rap in human PC-3 prostate cancer cells
50006627	4	ChEMBL_71967 (CHEMBL684160)	Inhibition of farnesylation of P21ras in human PC-3 prostate cancer cells by immunoprecipitation analysis
50006628	1	ChEMBL_60881 (CHEMBL673528)	Compound was tested for the inhibition of E-selectin-mediated cellular adhesion
50006633	1	ChEMBL_202107 (CHEMBL814216)	In vitro inhibitory activity against Squalene synthase from rats
50006634	1	ChEMBL_28661 (CHEMBL643995)	Inhibitory concentration was evaluated as concentration required to inhibit 50% of the activity of human Acyl coenzyme A:cholesterol acyltransferase 1
50006634	4	ChEMBL_28659 (CHEMBL885300)	Inhibitory concentration was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 activity obtained from human hepatic microsomal enzyme
50006634	6	ChEMBL_28657 (CHEMBL643836)	Inhibitory concentration was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 activity obtained from human THP-1 macrophage enzyme
50006643	1	ChEMBL_213124 (CHEMBL818203)	Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells
50006645	1	ChEMBL_72475 (CHEMBL685508)	Inhibitory activity against human glutathione reductase in presence of 100 uM GSSG
50044166	5	ChEMBL_1338754 (CHEMBL3242377)	Binding affinity to adenosine A3 receptor (unknown origin) by agonist displacement assay
50044166	6	ChEMBL_1338756 (CHEMBL3242379)	Antagonist activity at human GIPR assessed as inhibition of cAMP production
50044167	1	ChEMBL_1338781 (CHEMBL3242404)	Inhibition of recombinant human TNKS-1
50044167	2	ChEMBL_1339110 (CHEMBL3243207)	Inhibition of recombinant human TNKS-2
50044167	3	ChEMBL_1339111 (CHEMBL3243208)	Inhibition of recombinant human PARP-1
50044167	4	ChEMBL_1339112 (CHEMBL3243247)	Inhibition of recombinant human PARP-2
50044167	5	ChEMBL_1338768 (CHEMBL3242391)	Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assay
50044167	6	ChEMBL_1338769 (CHEMBL3242392)	Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assay
50044167	7	ChEMBL_1338770 (CHEMBL3242393)	Inhibition of TNKS-1 in mouse L-Wnt-STF cells assessed as disruption of Wnt signaling after 24 hrs by luciferase reporter gene assay
50044167	8	ChEMBL_1338771 (CHEMBL3242394)	Inhibition of TNKS-2 in mouse L-Wnt-STF cells assessed as disruption of Wnt signaling after 24 hrs by luciferase reporter gene assay
50044168	1	ChEMBL_1339117 (CHEMBL3243252)	Agonist activity at human AR expressed in CV1 cells after 17 hrs by luciferase reporter gene assay
50044168	2	ChEMBL_1339118 (CHEMBL3243253)	Binding affinity to human AR NTD (1 to 561 aa) expressed in CV1 cells coexpressing human AR-LBD (644-919 aa) assessed as N/C-termini interaction by androgenic assay
50044168	3	ChEMBL_1339147 (CHEMBL3243282)	Binding affinity to human ERG by dofetilide binding assay
50044168	4	ChEMBL_1339116 (CHEMBL3243251)	Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting
50044169	1	ChEMBL_1339158 (CHEMBL3243321)	Inhibition of T-type CaV3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of calcium current by whole cell patch-clamp method
50006650	3	ChEMBL_202767 (CHEMBL808763)	Inhibition of src kinase
50044170	1	ChEMBL_1339563 (CHEMBL3243043)	Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate after 5 mins
50044170	2	ChEMBL_1339564 (CHEMBL3243044)	Competitive inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 using Z-FR-AMC as substrate by Lineweaver-Burk plot analysis
50044171	1	ChEMBL_1339943 (CHEMBL3243813)	Binding affinity to MDMX (unknown origin) assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50044171	2	ChEMBL_1339571 (CHEMBL3243051)	Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli after 1 to 2 mins by surface plasmon resonance spectroscopic analysis
50044171	3	ChEMBL_1339572 (CHEMBL3243052)	Binding affinity to MDM2 in human SJSA1 cells assessed as upregulation of p21 mRNA expression after 7 hrs by qRT-PCR analysis in absence of human serum
50006651	2	ChEMBL_197095 (CHEMBL806024)	Compound was tested for Inhibition of HIV-1 RT activity.
50044171	4	ChEMBL_1339586 (CHEMBL3243066)	Binding affinity to MDM2 in human HCT116 cells expressing p53 assessed as upregulation of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum
50044171	5	ChEMBL_1339578 (CHEMBL3243058)	Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50006651	1	ChEMBL_195065 (CHEMBL797520)	Compound was tested for Inhibition of HIV-1 RT activity
50044171	6	ChEMBL_1339579 (CHEMBL3243059)	Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer containing 15% human serum incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50044172	1	ChEMBL_1339962 (CHEMBL3243869)	Antagonist activity at human recombinant 5HT2A receptor expressed in HEK293a cells assessed as inhibition of serotonin-induced increase in calcium fluorescence
50044172	2	ChEMBL_1339965 (CHEMBL3243872)	Inhibition of [3H]-serotonin uptake in SERT in human platelets
50044172	3	ChEMBL_1339946 (CHEMBL3243816)	Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells
50044172	4	ChEMBL_1339944 (CHEMBL3243814)	Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells
50044172	5	ChEMBL_1339945 (CHEMBL3243815)	Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells
50044172	6	ChEMBL_1339949 (CHEMBL3243819)	Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 mins by liquid scintillation counting analysis
50044172	7	ChEMBL_1339951 (CHEMBL3243821)	Inhibition of human 5HT1A receptor
50044172	8	ChEMBL_1339952 (CHEMBL3243859)	Inhibition of histamine H1 receptor (unknown origin)
50044172	9	ChEMBL_1339954 (CHEMBL3243861)	Inhibition of adrenergic alpha1A receptor (unknown origin)
50044172	10	ChEMBL_1339955 (CHEMBL3243862)	Inhibition of adrenergic alpha1B receptor (unknown origin)
50044172	11	ChEMBL_1339956 (CHEMBL3243863)	Inhibition of rat adrenergic alpha1B receptor
50044172	12	ChEMBL_1339957 (CHEMBL3243864)	Inhibition of human dopamine D1 receptor
50044172	13	ChEMBL_1339958 (CHEMBL3243865)	Inhibition of human dopamine D4 receptor
50044173	1	ChEMBL_1334924 (CHEMBL3239240)	Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit assessed as Cbz-Leu-Leu-Glu-AMC substrate hydrolysis after 10 mins by fluorometric analysis
50044173	2	ChEMBL_1334925 (CHEMBL3239241)	Inhibition of bovine pancreatic alpha-chymotrypsin activity assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 mins
50044173	3	ChEMBL_1334922 (CHEMBL3239238)	Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 mins by fluorometric analysis
50044174	1	ChEMBL_1334935 (CHEMBL3239251)	Inhibition of His6x-tagged recombinant PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]SAM and histone H4 (1 to 20) as substrate after 8 mins by P81 filter binding assay
50044174	2	ChEMBL_1334936 (CHEMBL3239252)	Inhibition of HA-tagged recombinant PRMT5 (unknown origin) expressed in HEK293T cells using [3H]SAM and histone H4 (1 to 20) as substrate after 8 mins by P81 filter binding assay
50044174	3	ChEMBL_1334937 (CHEMBL3239253)	Inhibition of GST-tagged CARM1 (unknown origin) using [3H]SAM and histone H3.1 as substrate at 20 uM after 1 hr by P81 filter binding assay
50044174	4	ChEMBL_1334938 (CHEMBL3239254)	Inhibition of His6x-tagged PRMT6 (unknown origin) using [3H]SAM and histone H3.1 as substrate at 20 uM after 1 hr by P81 filter binding assay
50044175	1	ChEMBL_1335350 (CHEMBL3238929)	Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay
50044175	2	ChEMBL_1335363 (CHEMBL3238942)	Inhibition of human HDAC-6 using RHKK(Ac) as substrate
50044175	3	ChEMBL_1335365 (CHEMBL3238944)	Inhibition of human HDAC-8 using RHK(Ac)K(Ac) as substrate
50044175	4	ChEMBL_1335348 (CHEMBL3238927)	Inhibition of human HDAC-1 using RHKK(Ac) as substrate
50044175	5	ChEMBL_1335364 (CHEMBL3238943)	Inhibition of human HDAC-7 using RHKK(Ac) as substrate
50044175	6	ChEMBL_1335360 (CHEMBL3238939)	Inhibition of human HDAC-3/NCOR-2 using RHKK(Ac) as substrate
50044175	7	ChEMBL_1335367 (CHEMBL3238946)	Inhibition of human HDAC-11 using RHKK(Ac) as substrate
50044175	8	ChEMBL_1335362 (CHEMBL3238941)	Inhibition of human HDAC-5 using RHKK(Ac) as substrate
50044175	9	ChEMBL_1335366 (CHEMBL3238945)	Inhibition of human HDAC-10 using RHKK(Ac) as substrate
50044175	10	ChEMBL_1335361 (CHEMBL3238940)	Inhibition of human HDAC-4 using RHKK(Ac) as substrate
50044175	11	ChEMBL_1335359 (CHEMBL3238938)	Inhibition of human HDAC-2 using RHKK(Ac) as substrate
50044176	1	ChEMBL_1335380 (CHEMBL3239031)	Inhibition of ErbB2 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	2	ChEMBL_1335381 (CHEMBL3239032)	Inhibition of recombinant ErbB4 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	3	ChEMBL_1335382 (CHEMBL3239033)	Inhibition of recombinant RET (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	4	ChEMBL_1335383 (CHEMBL3239034)	Inhibition of recombinant Flt-1 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	5	ChEMBL_1335384 (CHEMBL3239035)	Inhibition of KDR (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	6	ChEMBL_1335385 (CHEMBL3239036)	Inhibition of recombinant c-Kit (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	7	ChEMBL_1335386 (CHEMBL3239037)	Inhibition of recombinant PDGFRalpha (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	8	ChEMBL_1335387 (CHEMBL3239038)	Inhibition of recombinant PDGFRbeta (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	9	ChEMBL_1335388 (CHEMBL3239039)	Inhibition of recombinant ABL (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	10	ChEMBL_1335389 (CHEMBL3239040)	Inhibition of recombinant EPHA2 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	11	ChEMBL_1335390 (CHEMBL3239041)	Inhibition of recombinant RON (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	12	ChEMBL_1335368 (CHEMBL3238947)	Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELISA
50044176	13	ChEMBL_1335391 (CHEMBL3239042)	Inhibition of IGF1R (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044176	14	ChEMBL_1335392 (CHEMBL3239043)	Inhibition of FGFR1 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA
50044177	1	ChEMBL_1335824 (CHEMBL3239933)	Inhibition of human USP2 using Ub-rhodamine 110 as substrate
50044177	2	ChEMBL_1335825 (CHEMBL3239934)	Inhibition of human USP7 using Ub-rhodamine 110 as substrate
50044177	3	ChEMBL_1335826 (CHEMBL3239935)	Inhibition of human USP8 using Ub-rhodamine 110 as substrate
50044177	4	ChEMBL_1335827 (CHEMBL3239936)	Inhibition of human USP20 using Ub-rhodamine 110 as substrate
50044177	5	ChEMBL_1335828 (CHEMBL3239937)	Inhibition of human USP21 using Ub-rhodamine 110 as substrate
50044177	6	ChEMBL_1335833 (CHEMBL3239942)	Inhibition of human coronavirus NL63 PLP2 (amino acids 1565 to 1894) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction of AMC release using Z-RLRGG-AMC as substrate by multimode plate reader analysis
50006660	21	ChEMBL_2659 (CHEMBL618908)	Compound was tested for the Binding affinity against rat frontal cortex 5-hydroxytryptamine 2A receptor by Radio ligand [3H]ketanserin binding assay.
50006660	6	ChEMBL_84712 (CHEMBL694451)	Compound was tested for the binding affinity against rat cortical H1 receptor by Radio ligand [3H]pyrilamine binding assay.
50006660	1	ChEMBL_1168 (CHEMBL616113)	Compound was tested for the Binding affinity against rat hippocampal 5-hydroxytryptamine 1A receptor by Radio ligand [3H]8-OH-DPAT binding assay.
50006660	11	ChEMBL_140192 (CHEMBL744909)	Compound was tested for the binding affinity against rat heart Muscarinic acetylcholine receptor M2 by Radio ligand [3H]quinuclidinyl binding assay.
50006660	20	ChEMBL_61334 (CHEMBL675951)	Compound was tested for the Binding affinity against Human cloned Dopamine receptor D5 by Radio ligand ([3H]SCH-23390) binding assay
50044178	1	ChEMBL_1335842 (CHEMBL3238626)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method
50006660	19	ChEMBL_60660 (CHEMBL671697)	Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand
50006660	5	ChEMBL_84713 (CHEMBL694452)	Compound was tested for the binding affinity against rat cortical H1 receptor by radioligand [3H]-pyrilamine binding assay.
50006660	24	ChEMBL_3123 (CHEMBL617966)	Compound was tested for the Binding affinity against N1e-115 neuroblastoma 5-hydroxytryptamine 3 receptor by Radio ligand [3H]GR-65630 binding assay.
50006660	17	ChEMBL_139070 (CHEMBL745665)	Compound was tested for the Binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by Radio ligand [3H]pirenzepine binding assay
50006660	12	ChEMBL_60497 (CHEMBL674253)	Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]SCH-23390) binding assay
50006660	9	ChEMBL_60498 (CHEMBL674254)	Compound was tested for the binding affinity against human cloned Dopamine receptor D1 by radioligand ([3H]SCH-23390) binding assay
50006660	10	ChEMBL_140191 (CHEMBL744908)	Compound was tested for the Binding affinity against rat heart Muscarinic acetylcholine receptor M2 by Radio ligand [3H]quinuclidinyl binding assay
50006660	16	ChEMBL_139071 (CHEMBL745666)	Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by Radio ligand [3H]pirenzepine binding assay.
50006660	4	ChEMBL_84711 (CHEMBL694450)	Compound was tested for the Binding affinity against rat cortical H1 receptor by Radio ligand [3H]pyrilamine binding assay
50006660	18	ChEMBL_139072 (CHEMBL745667)	Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by radioligand [3H]pirenzepine binding assay.
50006660	7	ChEMBL_140193 (CHEMBL744910)	Compound was tested for the binding affinity against rat heart Muscarinic acetylcholine receptor M2 by quinuclidinyl binding assay.
50044178	2	ChEMBL_1335843 (CHEMBL3238627)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method
50044178	3	ChEMBL_1335844 (CHEMBL3238628)	Inhibition of human recombinant BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated for 1 hr by FRET assay
50044178	4	ChEMBL_1335851 (CHEMBL3238635)	Inhibition of BACE1 (unknown origin)
50044178	5	ChEMBL_1335853 (CHEMBL3238637)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50044178	6	ChEMBL_1335854 (CHEMBL3238638)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate assessed as dissociation constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot analysis
50044179	1	ChEMBL_1336736 (CHEMBL3240996)	Inhibition of squalene synthase in rat liver microsomes assessed as decrease in conversion of [3H]FPP to squalene
50044180	1	ChEMBL_1337106 (CHEMBL3239991)	Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH
50006670	5	ChEMBL_104303 (CHEMBL709918)	The compound was tested for effect on second messenger formation in BHK cells expressing mGluR5a at half maximal concentration
50006673	1	ChEMBL_205723 (CHEMBL807969)	Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells
50044180	2	ChEMBL_1337107 (CHEMBL3239992)	Inhibition of human DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH
50044181	1	ChEMBL_1337519 (CHEMBL3242134)	Inhibition of BBOX (unknown origin)
50044181	2	ChEMBL_1337520 (CHEMBL3242135)	Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincubated for 15 mins measured after 30 mins by UPLC-MS/MS analysis
50044181	3	ChEMBL_1337522 (CHEMBL3242137)	Binding affinity to purified human BBOX by isothermal titration calorimetry analysis
50044182	1	ChEMBL_1337959 (CHEMBL3241236)	Inhibition of human HSP90beta expressed in yeast assessed as growth inhibition of host after 72 hrs
50044182	2	ChEMBL_1337960 (CHEMBL3241237)	Inhibition of human HSP90alpha expressed in yeast assessed as growth inhibition of host after 72 hrs
50044182	3	ChEMBL_1337964 (CHEMBL3241241)	Binding affinity to N-terminal FLAG-tagged human recombinant HSP90beta expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay
50044182	4	ChEMBL_1337965 (CHEMBL3241242)	Binding affinity to N-terminal FLAG-tagged human recombinant HSP90alpha expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay
50044183	1	ChEMBL_1337988 (CHEMBL3241395)	Inhibition of red kidney beans purple acid phosphatase
50044183	2	ChEMBL_1337987 (CHEMBL3241394)	Inhibition of Stenotrophomonas maltophilia metallo-beta-lactamase L1 after 5 mins
50044183	3	ChEMBL_1338365 (CHEMBL3240241)	Competitive inhibition of Bacteroides fragilis metallo-beta-lactamase CcrA
50044183	4	ChEMBL_1338367 (CHEMBL3240243)	Inhibition of rat liver arginase
50044184	1	ChEMBL_1338377 (CHEMBL3240253)	Inhibition of EGFR (unknown origin) after 1 to 1.5 hrs by FRET-based Z'-Lyte assay
50006677	3	ChEMBL_2634 (CHEMBL621546)	Binding affinity towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand
50006677	9	ChEMBL_1095 (CHEMBL616418)	Binding affinity of [3H]- -8-OH-DPAT labelled towards Rat Hippocampal 5-hydroxytryptamine 1A receptor using radioligand binding assay
50006677	8	ChEMBL_1122 (CHEMBL616067)	Binding affinity towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50006677	4	ChEMBL_2624 (CHEMBL621536)	Binding affinity of [3H]- ketanserin labelled towards Rat cortical 5-hydroxytryptamine 2A receptor using radioligand binding assay
50006677	2	ChEMBL_2963 (CHEMBL617903)	Antagonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand
50006677	1	ChEMBL_2492 (CHEMBL617379)	Antagonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]rauwolscine as radioligand
50006677	6	ChEMBL_2279 (CHEMBL617065)	Agonistic activity at cloned human 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand
50044185	1	ChEMBL_1338789 (CHEMBL3242566)	Inhibition of human HDAC-1 using RHKK(Ac) as substrate by fluorescence assay
50044185	2	ChEMBL_1338815 (CHEMBL3242742)	Inhibition of human HDAC-2 using RHKK(Ac) as substrate by fluorescence assay
50044185	3	ChEMBL_1338816 (CHEMBL3242743)	Inhibition of human HDAC-3/NCOR2 using RHKK(Ac) as substrate by fluorescence assay
50044185	4	ChEMBL_1338817 (CHEMBL3242744)	Inhibition of human HDAC-4 using RHKK(Ac) as substrate by fluorescence assay
50044185	5	ChEMBL_1338818 (CHEMBL3242745)	Inhibition of human HDAC-5 using RHKK(Ac) as substrate by fluorescence assay
50044185	6	ChEMBL_1339171 (CHEMBL3243334)	Inhibition of human HDAC-6 using RHKK(Ac) as substrate by fluorescence assay
50044185	7	ChEMBL_1339172 (CHEMBL3243335)	Inhibition of human HDAC-7 using RHKK(Ac) as substrate by fluorescence assay
50044185	8	ChEMBL_1339173 (CHEMBL3243336)	Inhibition of human HDAC-8 using RHKK(Ac) as substrate by fluorescence assay
50044185	9	ChEMBL_1339174 (CHEMBL3243337)	Inhibition of human HDAC-9 using RHKK(Ac) as substrate by fluorescence assay
50044185	10	ChEMBL_1339175 (CHEMBL3243338)	Inhibition of human HDAC-10 using RHKK(Ac) as substrate by fluorescence assay
50044185	11	ChEMBL_1339176 (CHEMBL3243339)	Inhibition of human HDAC-11 using RHKK(Ac) as substrate by fluorescence assay
50044185	12	ChEMBL_1338401 (CHEMBL3240454)	Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay
50044186	1	ChEMBL_1339183 (CHEMBL3243346)	Inhibition of human TAF1a using hippuryl-L-arginine/hippuryl-L-lysine as substrate by liquid chromatographic analysis
50044186	2	ChEMBL_1339182 (CHEMBL3243345)	Inhibition of TAF1a in human plasma assessed as clot lysis
50044186	3	ChEMBL_1339189 (CHEMBL3243352)	Inhibition of human TAF1a
50044186	4	ChEMBL_1339191 (CHEMBL3243354)	Inhibition of carboxypeptidase N (unknown origin)
50044187	1	ChEMBL_1339208 (CHEMBL3243402)	Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry
50044187	2	ChEMBL_1339227 (CHEMBL3243421)	Inhibition of CYP2C9 in human liver microsomes
50044188	1	ChEMBL_1334957 (CHEMBL3239310)	Inhibition of human recombinant cytosolic human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay
50044188	2	ChEMBL_1334958 (CHEMBL3239311)	Inhibition of human recombinant cytosolic human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay
50044188	3	ChEMBL_1334959 (CHEMBL3239312)	Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-9 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay
50006683	3	ChEMBL_28912 (CHEMBL638610)	Inhibition of Acetylcholinesterase in mouse red blood cell
50006683	2	ChEMBL_29094 (CHEMBL636832)	Inhibition of Acetylcholinesterase in rat red blood cell
50006686	1	ChEMBL_195810 (CHEMBL807721)	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta
50006686	3	ChEMBL_196321 (CHEMBL806264)	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma
50006686	2	ChEMBL_195320 (CHEMBL799875)	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha
50044188	4	ChEMBL_1334960 (CHEMBL3239313)	Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase-12 incubated for 15 mins prior to testing by stopped-flow CO2 hydrase assay
50044189	1	ChEMBL_1334961 (CHEMBL3239314)	Inhibition of human recombinant CK-1delta using casein as substrate after 60 mins by Kinase-Glo assay
50006688	1	ChEMBL_212400 (CHEMBL815987)	Inhibitory activity against TNF-alpha production
50006696	1	ChEMBL_3988 (CHEMBL619260)	Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL
50006696	2	ChEMBL_207 (CHEMBL615241)	Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates
50006697	1	ChEMBL_30110 (CHEMBL642037)	Inhibition of FG binding to alpha IIb beta-3 integrin
50006700	1	ChEMBL_40421 (CHEMBL652636)	Affinity to human Bradykinin receptor B2 in CHO cell membranes determined by displacement of [3H]-NPC 17731
50006701	2	ChEMBL_205397 (CHEMBL817414)	Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)
50006701	3	ChEMBL_209699 (CHEMBL811685)	Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV)
50006701	5	ChEMBL_209226 (CHEMBL814854)	Effective concentration to activate Tachykinin receptor 2 in rat vas deferens(RVD)
50006701	1	ChEMBL_205396 (CHEMBL817413)	Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI)
50006701	6	ChEMBL_209700 (CHEMBL811686)	Effective concentration to activate Tachykinin receptor 3 in rat portal vein(RPV).
50006701	4	ChEMBL_209225 (CHEMBL814853)	Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD)
50006702	15	ChEMBL_59896 (CHEMBL673022)	Compound was evaluated for effective concentration in vivo for Dopamine receptor D2 mitogenesis. (95% confidence intervals)
50006702	9	ChEMBL_62124 (CHEMBL673445)	Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]spiperone as radioligand
50006702	4	ChEMBL_1324 (CHEMBL832875)	Binding affinity against serotonin 5-hydroxytryptamine 1A receptor using radioligand [3H]8-OH-DPAT binding assay
50006702	6	ChEMBL_1049 (CHEMBL616250)	Binding affinity against serotonin 5-hydroxytryptamine 1A receptor using radioligand [3H]8-OH-DPAT binding assay
50006702	13	ChEMBL_59904 (CHEMBL671810)	In vivo Dopamine receptor D2 mitogenesis measured as [3H]thymidine incorporation in CHO p-5 cells expressing human D2 receptors
50006702	10	ChEMBL_58515 (CHEMBL672010)	Binding affinity against Dopamine receptor D1 in rat brain membrane using [3H]-SCH- 23390 as radioligand
50006702	2	ChEMBL_62139 (CHEMBL675895)	Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand
50006702	14	ChEMBL_59897 (CHEMBL673023)	Compound was evaluated for effective concentration in vivo for Dopamine receptor D2 mitogenesis. (95% confidence intervals)
50006702	11	ChEMBL_58518 (CHEMBL672013)	Binding affinity against dopamine receptor D1 using radioligand ([3H]-SCH 23390) binding assay
50006702	5	ChEMBL_60663 (CHEMBL872782)	Binding affinity against human Dopamine receptor D4 in CHO-K1 cells using [3H]spiperone as radioligand
50044190	1	ChEMBL_1335408 (CHEMBL3239059)	Inhibition of PTP1B (unknown origin) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry
50044191	1	ChEMBL_1335441 (CHEMBL3239159)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by spectrophotometer analysis
50044191	2	ChEMBL_1335442 (CHEMBL3239160)	Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins by spectrophotometer analysis
50044192	1	ChEMBL_1335865 (CHEMBL3238730)	Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior to icilin challenge by luminometry
50044192	2	ChEMBL_1335446 (CHEMBL3239164)	Antagonist activity at human TRPM8 assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior to icilin challenge by luminometry
50044193	1	ChEMBL_1335920 (CHEMBL3238861)	Inhibition of human PDE4D2 catalytic domain (86 to 413aa) expressed in Escherichia coli strain BL21 after 15 mins by liquid scintillation counting in presence of [3H]-cAMP
50044195	1	ChEMBL_1336809 (CHEMBL3241500)	Binding affinity to MDMX (unknown origin) assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50044195	2	ChEMBL_1336810 (CHEMBL3241501)	Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 expression
50044195	3	ChEMBL_1336775 (CHEMBL3241171)	Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50044195	4	ChEMBL_1336776 (CHEMBL3241172)	Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer containing 15% human serum incubated for 20 mins prior to p53 addition measured after 60 mins by HTRF assay
50044195	5	ChEMBL_1336778 (CHEMBL3241317)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50044195	6	ChEMBL_1336790 (CHEMBL3241329)	Binding affinity to MDM2 in human HCT116 cells expressing p53 assessed as upregulation of p21 mRNA expression after 7 hrs by quantitative RT-PCR analysis
50006706	11	ChEMBL_196769 (CHEMBL798930)	Inhibition of [3H]targretin binding to Retinoid X receptor RXR alpha
50006706	5	ChEMBL_195988 (CHEMBL879244)	Transcriptional activation of Retinoic acid receptor RAR gamma
50006708	2	ChEMBL_212401 (CHEMBL815988)	Inhibition of TNF-alpha production in LPS stimulated human PBMCs
50006708	1	ChEMBL_212402 (CHEMBL815989)	Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS.
50006710	1	ChEMBL_140403 (CHEMBL746729)	Inhibition of [3H]- DCKA binding to NMDA receptor of rat brain membranes
50044196	1	ChEMBL_1337146 (CHEMBL3240177)	Inhibition of recombinant human VEGFR2
50044197	1	ChEMBL_1337150 (CHEMBL3240181)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs
50044197	2	ChEMBL_1337151 (CHEMBL3240182)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs
50044197	3	ChEMBL_1337152 (CHEMBL3240183)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs
50044197	4	ChEMBL_1337153 (CHEMBL3240184)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50044197	5	ChEMBL_1337149 (CHEMBL3240180)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes
50044197	6	ChEMBL_1337154 (CHEMBL3240185)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig brain membranes
50044197	7	ChEMBL_1337158 (CHEMBL3240189)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50044197	8	ChEMBL_1337157 (CHEMBL3240188)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50044198	1	ChEMBL_1337160 (CHEMBL3240191)	Inhibition of SIRT-2 (unknown origin) by fluorescence assay
50044198	2	ChEMBL_1337159 (CHEMBL3240190)	Inhibition of SIRT-2 (unknown origin)
50044199	1	ChEMBL_1337201 (CHEMBL3240405)	Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometry
50006716	3	ChEMBL_50725 (CHEMBL664249)	Inhibition of Cytochrome P450 19A1 in Human placental microsomes
50044200	1	ChEMBL_1337579 (CHEMBL3242488)	Binding affinity to immobilized recombinant human CD44 hyaluronan binding domain by surface plasmon resonance assay
50006718	1	ChEMBL_99545 (CHEMBL707778)	Concentration at which one-half of the maximum Low density lipoprotein receptor is upregulated in HepG2 cells
50006718	2	ChEMBL_99546 (CHEMBL707779)	Concentration at which one-half the maximum Low density lipoprotein receptor up-regulation is observed in HepG2 cells
50006719	1	ChEMBL_152658 (CHEMBL761584)	Kinetic constant Apparent binding constant (Ki`) for the inhibition of papain conducted in 0.1 M phosphate, pH 6.8, at 30 degree C
50006727	2	ChEMBL_58509 (CHEMBL672004)	Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane
50006727	4	ChEMBL_58659 (CHEMBL670433)	Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]SCH-23390) binding assay
50006727	3	ChEMBL_62079 (CHEMBL672378)	Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane
50006728	1	ChEMBL_159317 (CHEMBL769370)	Concentration needed to inhibit HIV- protease activity by 50%.
50044200	2	ChEMBL_1337580 (CHEMBL3242489)	Binding affinity to immobilized recombinant mouse CD44 hyaluronan binding domain by surface plasmon resonance assay
50044200	3	ChEMBL_1337581 (CHEMBL3242490)	Inhibition of recombinant human hyaluronan binding domain of CD44 binding to immobilized polymeric hyaluronan by surface plasmon resonance assay
50044201	1	ChEMBL_1337582 (CHEMBL3242491)	Inhibition of human AChE by spectrophotometry
50044202	1	ChEMBL_1338035 (CHEMBL3241595)	Inhibition of EGFR (unknown origin) after 1.5 hr by FRET-based Z-lyte assay
50044203	1	ChEMBL_1338416 (CHEMBL3240469)	Inhibition of autophosphorylation of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by DELFIA/time-resolved fluorometric analysis
50044204	1	ChEMBL_1338425 (CHEMBL3240478)	Inhibition of P-glycoprotein (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence assay
50044205	1	ChEMBL_1338433 (CHEMBL3240699)	Inhibition of rabbit muscle glycogen phosphorylase b
50006734	1	ChEMBL_58510 (CHEMBL672005)	In vitro affinity at Dopamine receptor D1 of rat striatum by [3H]SCH-23,390 displacement.
50006734	2	ChEMBL_58799 (CHEMBL667041)	In vitro affinity at Dopamine receptor D1 of rat striatum by [3H]SCH-23390 displacement.
50006734	5	ChEMBL_1175 (CHEMBL615941)	In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]8-OH-DPAT displacement.
50006734	4	ChEMBL_61458 (CHEMBL670885)	In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displacement.
50006734	3	ChEMBL_61459 (CHEMBL670886)	In vitro affinity at human cloned Dopamine receptor D2A by [3H]raclopride displacement.
50006735	3	ChEMBL_58661 (CHEMBL670435)	In vitro displacement of [3H]SCH-23390 binding to rat striatal Dopamine receptor D1
50006735	5	ChEMBL_61453 (CHEMBL670880)	Displacement of [3H]raclopride from human Dopamine receptor D2A
50006735	4	ChEMBL_1173 (CHEMBL615939)	In vitro displacement of [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor
50006735	1	ChEMBL_61454 (CHEMBL670881)	Displacement of [3H]-raclopride fromd human Dopamine receptor D2A expressed in LtK- cells
50006735	2	ChEMBL_58511 (CHEMBL672006)	Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane
50006737	1	ChEMBL_33533 (CHEMBL648624)	Compound was tested in vitro for binding affinity against Alpha-2C adrenergic receptor from cloned human C-2 receptor transfected into Chinese hamster ovary (CHO) cells
50006737	5	ChEMBL_33075 (CHEMBL647722)	Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamster ovary (CHO) cells
50006737	2	ChEMBL_33502 (CHEMBL873180)	Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ovary (CHO) cells
50006738	2	ChEMBL_152389 (CHEMBL765512)	In vitro for inhibition of Phenylethanolamine N-Methyltransferase (PNMT)
50044205	2	ChEMBL_1338432 (CHEMBL3240698)	Inhibition of rat liver glycogen phosphorylase
50044206	1	ChEMBL_1338435 (CHEMBL3240701)	Inhibition of biotin-tagged human GKRP/fluorescein-tagged GK interaction preincubated for 20 mins prior to GK addition measured after 2 to 4 hrs by AlphaScreen assay
50006739	2	ChEMBL_214553 (CHEMBL820170)	Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver
50006739	3	ChEMBL_215007 (CHEMBL818806)	Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney
50006739	1	ChEMBL_214554 (CHEMBL820171)	Compound was tested for its ability to displace [3H]AVP from its specific binding sites in Rat liver (AVP-V1a receptor).
50006739	4	ChEMBL_215008 (CHEMBL818807)	Compound was tested for its ability to displace [3H]AVP from its specific binding sites in rat Kidney (AVP-V2 receptor).
50006740	11	ChEMBL_197068 (CHEMBL806657)	Dissociation constant for binding to Retinoid X receptor beta
50006740	6	ChEMBL_196780 (CHEMBL799565)	Transcriptional activation of Retinoid X receptor RXR alpha
50006740	17	ChEMBL_197059 (CHEMBL804835)	Transcriptional activation of Retinoid X receptor RXR beta
50006740	16	ChEMBL_197227 (CHEMBL798203)	Dissociation constant for binding to Retinoid X receptor gamma
50006740	3	ChEMBL_196785 (CHEMBL799729)	Dissociation constant for binding to Retinoid X receptor alpha
50006740	1	ChEMBL_197060 (CHEMBL804836)	Transcriptional activation of Retinoid X receptor RXR beta
50006740	4	ChEMBL_195642 (CHEMBL795960)	Dissociation constant for binding to Retinoic acid receptor beta
50006740	10	ChEMBL_195187 (CHEMBL802720)	Dissociation constant for binding to Retinoic acid receptor alpha
50006740	7	ChEMBL_196781 (CHEMBL799566)	Transcriptional activation of Retinoid X receptor RXR alpha;NA=not active
50006740	15	ChEMBL_196157 (CHEMBL804930)	Transcriptional activation of Retinoic acid receptor RAR gamma
50006740	9	ChEMBL_197219 (CHEMBL798967)	Transcriptional activation of Retinoid X receptor RXR gamma
50006740	12	ChEMBL_196166 (CHEMBL804939)	Dissociation constant for binding to Retinoic acid receptor gamma
50006740	13	ChEMBL_195635 (CHEMBL795953)	Transcriptional activation of Retinoic acid receptor RAR beta
50006740	2	ChEMBL_196160 (CHEMBL804933)	Transcriptional activation of Retinoic acid receptor RAR gamma
50006740	5	ChEMBL_195180 (CHEMBL801813)	Transcriptional activation of Retinoic acid receptor RAR alpha
50006740	8	ChEMBL_196782 (CHEMBL799567)	Transcriptional activation of Retinoid X receptor RXR alpha
50006740	14	ChEMBL_195637 (CHEMBL795955)	Transcriptional activation of Retinoic acid receptor RAR beta
50006741	1	ChEMBL_201430 (CHEMBL809833)	Displacement of [3H](+)-pentazocine from Sigma opioid receptor type 1 in guinea pig brain membrane
50006742	4	ChEMBL_29518 (CHEMBL640282)	Inhibitory activity against rat ATP-citrate lyase activity by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH.
50006742	2	ChEMBL_29519 (CHEMBL640283)	Inhibition of recombinant ATP-Citrate Lyase activity as maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH
50006742	5	ChEMBL_29504 (CHEMBL642005)	Inhibitory activity against human recombinant ATP-Citrate Lyase activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH
50006742	1	ChEMBL_29506 (CHEMBL643072)	Inhibitory activity against rat ATP-Citrate Lyase activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH
50006742	6	ChEMBL_29505 (CHEMBL642006)	Inhibitory activity against human recombinant ATP-Citrate Lyase was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH
50006742	3	ChEMBL_29517 (CHEMBL640281)	Inhibitory activity against human recombinant ATP-Citrate Lyase activity was measured by the maleate dehydrogenase catalyzed reduction of oxaloacetate by NADH
50006748	2	ChEMBL_90595 (CHEMBL701552)	Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor kainate 2
50006748	1	ChEMBL_90456 (CHEMBL699991)	Inhibition of [3H]kainate binding at ionotropic glutamate receptor kainate 2
50006749	7	ChEMBL_196783 (CHEMBL799727)	Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha
50006749	6	ChEMBL_195184 (CHEMBL801817)	Inhibition of [3H]ATRA binding to mouse Retinoic acid receptor RAR alpha
50006749	2	ChEMBL_196617 (CHEMBL800653)	Inhibition of binding to human Retinoic acid receptor RXR DEF domain
50006749	5	ChEMBL_52394 (CHEMBL884347)	Inhibition of [3H]ATRA binding to chick skin Cytoplasmic retinoic acid binding protein
50006749	9	ChEMBL_52266 (CHEMBL665219)	Inhibition of [3H]ATRA binding to chick skin Cytoplasmic retinoic acid binding protein
50006749	3	ChEMBL_52398 (CHEMBL665902)	Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1
50044206	2	ChEMBL_1338436 (CHEMBL3240702)	Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of GK translocation from nucleus to cytoplasm incubated for 20 mins prior to glucose addition measured after 40 mins
50044207	1	ChEMBL_1338452 (CHEMBL3240718)	Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relative to control
50044207	2	ChEMBL_1338467 (CHEMBL3240733)	Inhibition of human ABCG2 ATPase activity transfected in Sf9 insect cells using quercetin as substrate after 30 mins by colorimetry relative to control
50044207	3	ChEMBL_1338469 (CHEMBL3240931)	Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0.1 uM chromone 1 by flow cytometry
50044207	4	ChEMBL_1338471 (CHEMBL3240933)	Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0.1 uM (2E,2'E)-1,1'-(1,4-Phenylene)bis(3-(2,6-dimethoxyphenyl)-prop-2-en-1-one) by flow cytometry
50044207	5	ChEMBL_1338470 (CHEMBL3240932)	Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0.02 uM Ko143 by flow cytometry
50044208	1	ChEMBL_1338844 (CHEMBL3242934)	Inhibition of human plasmin using H-D-Val-Leu-LyspNA (S-2251) peptide as substrate assessed as reduction of enzyme hydrolytic activity
50044208	2	ChEMBL_1338845 (CHEMBL3242935)	Inhibition of human plasma kallikerin using H-D-Phe-Pro-Arg-pNA (S-2302) peptide as substrate assessed as reduction of enzyme hydrolytic activity
50044208	3	ChEMBL_1338846 (CHEMBL3242936)	Inhibition of human plasma urokinase using Glu-Gly-Arg-pNA (S-2444) peptide as substrate assessed as reduction of enzyme hydrolytic activity
50044209	1	ChEMBL_1339284 (CHEMBL3243550)	Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC
50044209	2	ChEMBL_1339285 (CHEMBL3243551)	Inhibition of human ERG by FLIPR assay
50044209	3	ChEMBL_1339653 (CHEMBL3243169)	Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA
50044210	1	ChEMBL_1335006 (CHEMBL3239393)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50044210	2	ChEMBL_1335007 (CHEMBL3239394)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50006759	2	ChEMBL_99511 (CHEMBL707235)	Compound tested for binding affinity against Leukotriene B4 receptor using radioligand binding assay from Human PMN cells
50044210	3	ChEMBL_1335011 (CHEMBL3239398)	Agonist activity at delta opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins
50044210	4	ChEMBL_1335015 (CHEMBL3239402)	Agonist activity at GFP-fused mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as recruitment of beta-arrestin-2 after 10 mins by BRET assay
50044210	5	ChEMBL_1335018 (CHEMBL3239405)	Agonist activity at GFP-fused delta opioid receptor (unknown origin) expressed in HEK293 cells assessed as recruitment of beta-arrestin-2 after 10 mins by BRET assay
50044210	6	ChEMBL_1335019 (CHEMBL3239406)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes after 1 hr
50044210	7	ChEMBL_1335021 (CHEMBL3239452)	Agonist activity at GFP-fused kappa opioid receptor (unknown origin) expressed in HEK293 cells assessed as recruitment of beta-arrestin-2 after 10 mins by BRET assay
50044210	8	ChEMBL_1334999 (CHEMBL3239386)	Binding affinity to mu opioid receptor (unknown origin)
50044210	9	ChEMBL_1339709 (CHEMBL3243304)	Binding affinity to delta opioid receptor (unknown origin)
50044210	10	ChEMBL_1335003 (CHEMBL3239390)	Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes
50044210	11	ChEMBL_1335004 (CHEMBL3239391)	Displacement of [3H]DPDPE from delta opioid receptor (unknown origin)
50044210	12	ChEMBL_1335001 (CHEMBL3239388)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes
50044210	13	ChEMBL_1335002 (CHEMBL3239389)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)
50044211	1	ChEMBL_1335029 (CHEMBL3239460)	Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry
50030163	10	ChEMBL_303530 (CHEMBL839644)	In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes
50030163	4	ChEMBL_303425 (CHEMBL840088)	In vitro inhibition of [3H]5-CT binding to 5-hydroxytryptamine 7 receptor in rat hypothalamus membranes
50030163	3	ChEMBL_303469 (CHEMBL838844)	In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes
50030163	5	ChEMBL_310479 (CHEMBL834423)	Inhibition of forskolin-induced increase in cAMP in human 5-hydroxytryptamine 1A receptor expressed HeLa cells
50030163	8	ChEMBL_303595 (CHEMBL830405)	In vitro inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral frontal cortex membranes
50044212	1	ChEMBL_1335031 (CHEMBL3239462)	Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins
50006763	1	ChEMBL_86909 (CHEMBL698419)	Rat Histamine H3 receptor antagonism determined by [K+] - evoked depolarization-induced release of [3H]histamine from rat cerebral cortex synaptosomes
50044213	1	ChEMBL_1335044 (CHEMBL3239475)	Binding affinity to human gonadotropin-releasing hormone receptor by radioligand displacement assay
50044213	2	ChEMBL_1335045 (CHEMBL3239476)	Binding affinity to rat gonadotropin-releasing hormone receptor by radioligand displacement assay
50044213	3	ChEMBL_1335046 (CHEMBL3239477)	Binding affinity to mouse gonadotropin-releasing hormone receptor by radioligand displacement assay
50044213	4	ChEMBL_1335047 (CHEMBL3239478)	Displacement of [125I]Triptorelin from rat full-length gonadotropin-releasing hormone receptor expressed in HEK293 cells
50044214	1	ChEMBL_1335472 (CHEMBL3239224)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis
50044214	2	ChEMBL_1335476 (CHEMBL3239228)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis
50044215	1	ChEMBL_1335499 (CHEMBL3239284)	Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry
50006766	4	ChEMBL_99831 (CHEMBL709861)	Inhibition of [3H]LTB4 binding to human neutrophils
50006766	1	ChEMBL_4304 (CHEMBL618413)	Concentration required to inhibit RBL-1 supernatant 5-lipoxygenase
50006769	3	ChEMBL_46830 (CHEMBL875683)	Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1
50006769	2	ChEMBL_46826 (CHEMBL658060)	Compound was evaluated for Pharmacological response in the Cannabinoid receptor 1
50044215	2	ChEMBL_1335497 (CHEMBL3239282)	Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry
50044215	3	ChEMBL_1335496 (CHEMBL3239281)	Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry
50006774	1	ChEMBL_28791 (CHEMBL641701)	Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes
50044215	4	ChEMBL_1335495 (CHEMBL3239280)	Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry
50006777	3	ChEMBL_203 (CHEMBL615237)	Compound was tested in vitro for inhibition of 12-LO human platelet
50006777	7	ChEMBL_34 (CHEMBL615146)	Compound was tested in vitro for inhibition of 15-lipoxygenase soybean
50006779	1	ChEMBL_140541 (CHEMBL748769)	Binding affinity towards glycine binding site on NMDA receptor was determined in rat whole brain membrane using strychnine-insensitive [3H]Gly as radioligand
50006783	1	ChEMBL_3444 (CHEMBL618129)	Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells
50044216	1	ChEMBL_1335962 (CHEMBL3239083)	Displacement of [3H]8-OH-DPAT from rat cerebral cortex 5-HT1A receptor after 30 mins by liquid scintillation counting
50044216	2	ChEMBL_1335963 (CHEMBL3239084)	Displacement of [3H]-ketanserin from rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting
50044217	1	ChEMBL_1335970 (CHEMBL3239091)	Inhibition of human DGAT1
50044217	2	ChEMBL_1335971 (CHEMBL3239092)	Inhibition of human DGAT2
50044217	3	ChEMBL_1335972 (CHEMBL3239093)	Inhibition of human ACAT2
50044217	4	ChEMBL_1335973 (CHEMBL3239094)	Inhibition of mouse DGAT1
50044217	5	ChEMBL_1336392 (CHEMBL3242241)	Inhibition of human ACAT1
50044218	1	ChEMBL_1336402 (CHEMBL3242251)	Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as substrate after 1 hr by ELISA
50044219	1	ChEMBL_1336411 (CHEMBL3242415)	Displacement of FITC-labeled H3K27me3 from CBX7 (unknown origin) after 15 mins by fluorescence polarization assay
50044219	2	ChEMBL_1336412 (CHEMBL3242416)	Binding affinity to CBX7 (unknown origin) by isothermal titration calorimetry assay
50044219	3	ChEMBL_1336413 (CHEMBL3242417)	Binding affinity to CBX8 (unknown origin) by isothermal titration calorimetry assay
50044219	4	ChEMBL_1336414 (CHEMBL3242418)	Binding affinity to CBX4 (unknown origin) by isothermal titration calorimetry assay
50044219	5	ChEMBL_1336415 (CHEMBL3242419)	Binding affinity to CBX1 (unknown origin) by isothermal titration calorimetry assay
50044220	1	ChEMBL_1336421 (CHEMBL3242425)	Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis
50044220	2	ChEMBL_1336425 (CHEMBL3242429)	Displacement of [125I]-angiotensin 2 from human angiotensin 2 type-1 receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis
50044220	3	ChEMBL_1336427 (CHEMBL3242431)	Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpressing EGFP assessed as inhibition of forskolin-induced cAMP production after 30 mins by fluorescence analysis
50044221	1	ChEMBL_1336447 (CHEMBL3242591)	Inhibition of LPS-induced COX-2 in peritoneal macrophage of C57BL/J6 mouse assessed as prostaglandin E2 formation preincubated for 1 hr followed by LPS challenge by radioimmunoassay
50044221	2	ChEMBL_1336446 (CHEMBL3242590)	Inhibition of calcimycin-induced COX-1 in peritoneal macrophage of C57BL/J6 mouse assessed as 6-Keto prostaglandin F1alpha formation preincubated for 1 hr followed by calcimycin challenge by radioimmunoassay
50044222	1	ChEMBL_1336827 (CHEMBL3241518)	Inhibition of Staphylococcus aureus DNA gyrase subunit B ATPase activity assessed as consumption of inorganic phosphate by PNP-based absorbance assay
50044223	1	ChEMBL_1336860 (CHEMBL3241718)	Inhibition of androgen receptor (unknown origin)
50044223	2	ChEMBL_1336861 (CHEMBL3241719)	Inhibition of estrogen receptor (unknown origin)
50044223	3	ChEMBL_1336862 (CHEMBL3241720)	Inhibition of glucocorticoid receptor (unknown origin)
50044223	4	ChEMBL_1336863 (CHEMBL3241721)	Inhibition of progesterone receptor (unknown origin)
50044223	5	ChEMBL_1336865 (CHEMBL3241723)	Inhibition of human ERG (unknown origin)
50044223	6	ChEMBL_1336867 (CHEMBL3241725)	Inhibition of CYP3A4 (unknown origin)
50044223	7	ChEMBL_1336868 (CHEMBL3241726)	Inhibition of CYP2D6 (unknown origin)
50044223	8	ChEMBL_1336869 (CHEMBL3241727)	Inhibition of CYP2C9 (unknown origin)
50044223	9	ChEMBL_1336857 (CHEMBL3241715)	Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assay
50044224	1	ChEMBL_1337212 (CHEMBL3240620)	Inhibition of autophosphorylation of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells after 1 hr by time-resolved fluorometry
50006787	1	ChEMBL_209609 (CHEMBL817337)	TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets
50006787	2	ChEMBL_209944 (CHEMBL820600)	TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]arachidonic acid
50006787	3	ChEMBL_209592 (CHEMBL814727)	TXA2 receptor antagonism, measured by the displacement of [3H]SQ-29548 from the PGH-2/TXA-2 receptor on human platelets
50006790	4	ChEMBL_47385 (CHEMBL659000)	Inhibition of bovine cathepsin B
50044224	2	ChEMBL_1337213 (CHEMBL3240621)	Inhibition of autophosphorylation of human HER2 cytoplasmic domain (amino acids 676 to 1245) (unknown origin) expressed in Sf9 cells after 1 hr by time-resolved fluorometry
50006790	2	ChEMBL_43668 (CHEMBL656201)	Inhibition of the cysteine protease human Calpain 1
50006790	5	ChEMBL_47427 (CHEMBL662614)	Inhibition of human cathepsin B
50044225	1	ChEMBL_1337227 (CHEMBL3240635)	Inhibition of human aromatase using androstenedione as substrate assessed as estrone formation at 10 uM after 30 mins by LC-MS/MS analysis
50044226	1	ChEMBL_1337217 (CHEMBL3240625)	Inhibition of human AChE using acetylthiocholine as substrate after 4 hrs by robotic spectrophotometric assay
50006790	1	ChEMBL_44955 (CHEMBL661081)	Compound was evaluated for the inhibition of Cathepsin B
50044227	1	ChEMBL_1345989 (CHEMBL3258023)	Displacement of [2,4,6,7-3H]-estradiol from estrogen receptor in immature rat uterine cytosol by dextran-coated charcoal-adsorption assay
50044228	1	ChEMBL_1344246 (CHEMBL3256076)	Inhibition of NET-mediated norepinephrine uptake in rat brain synaptosomes
50044229	1	ChEMBL_1344628 (CHEMBL3254290)	Inhibition of thromboxane synthetase in intact human platelet microsomes assessed as inhibition of [1-14C]PGH2 to [1-14C]TxA2
50044230	1	ChEMBL_1346040 (CHEMBL3258489)	Noncompetitive inhibition of pyridoxal phosphokinase (unknown origin) using ATP-gamma-[32P]
50044231	1	ChEMBL_1346665 (CHEMBL3253500)	Competitive inhibition of pyridoxal phosphokinase (unknown origin)
50044232	1	ChEMBL_1343945 (CHEMBL3259254)	Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of nonsaponifiable lipid synthesis using [2-14C]acetate as substrate after 90 mins by scintillation counting analysis
50044232	2	ChEMBL_1343944 (CHEMBL3259253)	Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of total lipid synthesis using [2-14C]acetate as substrate after 90 mins by scintillation counting analysis
50044232	3	ChEMBL_1343946 (CHEMBL3259255)	Inhibition of HMG-coA reductase in CD rat liver microsomal-cytosol fraction assessed as inhibition of fatty acid synthesis using [2-14C]acetate as substrate after 90 mins by scintillation counting analysis
50044233	1	ChEMBL_1344643 (CHEMBL3254305)	Competitive inhibition of bull prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis
50044233	2	ChEMBL_1344645 (CHEMBL3254307)	Competitive inhibition of Sprague-Dawley rat prostate ornithine decarboxylase using DL-[1-14C]ornithine as substrate by liquid scintillation counting analysis
50044233	3	ChEMBL_1344646 (CHEMBL3254308)	Inhibition of rat liver ornithine decarboxylase
50044233	4	ChEMBL_1344637 (CHEMBL3254299)	Competitive inhibition of rat liver ornithine decarboxylase using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis
50044233	5	ChEMBL_1344641 (CHEMBL3254303)	Competitive inhibition of ornithine decarboxylase in rat HTC cells using DL-[1-14C]ornithine as substrate after 1 hr by dixon plot analysis
50044234	1	ChEMBL_1347152 (CHEMBL3253051)	Competitive inhibition of 2 X 10'-7 M human plasma kallikrein using Z-Lys-nitrophenyl ester as substrate incubated up to 1 hr at pH 6
50044234	2	ChEMBL_1347154 (CHEMBL3253053)	Competitive inhibition of 16 X 10'-7 M bovine thrombin using Z-Lys-nitrophenyl ester as substrate incubated up to 1 hr at pH 6
50044234	3	ChEMBL_1347153 (CHEMBL3253052)	Competitive inhibition of 4.8 X 10'-7 M human plasmin using Z-Lys-nitrophenyl ester as substrate incubated up to 1 hr at pH 6
50044235	1	ChEMBL_1342911 (CHEMBL3259186)	Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins by Michaelis-Menten plot analysis
50044235	2	ChEMBL_1342913 (CHEMBL3259188)	Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 180 mins by Michaelis-Menten plot analysis
50006797	10	ChEMBL_30925 (CHEMBL647735)	Displacement of [3H]-CGH 21680 from Adenosine A2A receptor of rat striatal membranes
50006797	3	ChEMBL_30901 (CHEMBL647245)	Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3H]-CGH 21680
50006797	2	ChEMBL_31845 (CHEMBL641522)	In vitro binding affinity at human Adenosine A3 receptor from HEK293 cells by [125I]AB-MECA displacement.
50006797	8	ChEMBL_30477 (CHEMBL640332)	Binding affinity for Adenosine A3 receptor from rat striatal membranes
50006797	9	ChEMBL_29304 (CHEMBL640365)	Displacement of [3H]-(R)-PIA from Adenosine A1 receptor of rat cerebral cortex membranes
50006797	4	ChEMBL_28524 (CHEMBL640693)	Binding affinity for A1 receptors from rat cerebral cortex membranes using [3H]-(R(-PIA
50006797	1	ChEMBL_28525 (CHEMBL640694)	Binding affinity for Adenosine A1 receptor from rat cerebral cortex membranes using [3H](R)-PIA
50006797	7	ChEMBL_27584 (CHEMBL644136)	Binding affinity for Adenosine A1 receptor from rat cerebral cortex membranes using [3H](R)-PIA
50006797	6	ChEMBL_27585 (CHEMBL644137)	Binding affinity for human Adenosine A1 receptor from HEK293 cells
50006797	5	ChEMBL_30751 (CHEMBL649782)	Binding affinity for human Adenosine A2A receptor from HEK293 cells
50006799	2	ChEMBL_29459 (CHEMBL642188)	Displacement of [3H]N6-PIA from Adenosine A1 receptor from rat whole brain
50006799	1	ChEMBL_30928 (CHEMBL647737)	Inhibition of [3H]CGS-21680 binding to Adenosine A2A receptor of rat striatal membranes
50006802	1	ChEMBL_89810 (CHEMBL697548)	Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. at pH 8.0
50006802	6	ChEMBL_89805 (CHEMBL698523)	Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 uM
50006802	3	ChEMBL_89808 (CHEMBL698526)	Inhibition of human recombinant inosine monophosphate dehydrogenase type II. 
50006802	2	ChEMBL_89809 (CHEMBL697547)	Compound was tested for inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase. (tested to 100 and 10 uM conc)
50044235	3	ChEMBL_1342914 (CHEMBL3259189)	Competitive reversible inhibition of porcine pancreatic kallikrein using N-benzoyl-L-prolyl-L-phenylalanyl-L-arginine p-nitroanilide hydrochloride as substrate after 15 to 180 mins by Michaelis-Menten plot analysis
50044236	1	ChEMBL_1343606 (CHEMBL3254234)	Apparent inhibition of human placental microsomal aromatase assessed as [C14]estrone/[C14]estradiol formation using 0.075 to 0.515 uM [C14]androstenedione substrate by liquid scintillation counting
50044237	1	ChEMBL_1344334 (CHEMBL3257004)	Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis
50044237	2	ChEMBL_1344336 (CHEMBL3257006)	Inhibition of thrombin (unknown origin)
50044237	3	ChEMBL_1344337 (CHEMBL3257007)	Inhibition of porcine pancreatic kallikrein
50044238	1	ChEMBL_1345454 (CHEMBL3257999)	Inhibition of calf mucosal adenosine deaminase
50044239	1	ChEMBL_1346502 (CHEMBL3258076)	Inhibition of SERT-mediated 5-HT uptake in Wistar rat brain synaptosomes
50044240	1	ChEMBL_1344422 (CHEMBL3258372)	Inhibition of histidine decarboxylase in Sprague-Dawley rat stomach assessed as decrease in 14CO2 production using L-histidine-carboxyl-14C as substrate by Dixon plot analysis
50044241	1	ChEMBL_1344423 (CHEMBL3258373)	Inhibition of rat liver aminopeptidase B using 0.2 mM L-leucine-beta-naphthylamide by colorimetry
50044242	1	ChEMBL_1345884 (CHEMBL3256608)	Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation
50044243	1	ChEMBL_1341015 (CHEMBL3254994)	Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase
50044243	2	ChEMBL_1341017 (CHEMBL3254996)	Inhibition of Lactobacillus casei ATCC 7469 thymidylate synthase
50044244	1	ChEMBL_1341180 (CHEMBL3256792)	Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by radioisotope assay
50044245	1	ChEMBL_1340037 (CHEMBL3254942)	Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate by spectrophotometric analysis
50044245	2	ChEMBL_1340125 (CHEMBL3256271)	Competitive inhibition of esterase activity of human plasmin assessed as assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as substrate by spectrophotometric analysis
50044245	3	ChEMBL_1340126 (CHEMBL3256272)	Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol production using N-Z-L-Tyr-ONp as substrate by spectrophotometric analysis
50044245	4	ChEMBL_1340128 (CHEMBL3256274)	Competitive inhibition of esterase activity of human activated C1s subunit of first complement component assessed as decrease in p-nitrophenol production using N-Z-L-Lys-ONp as substrate by spectrophotometric analysis
50044245	5	ChEMBL_1340129 (CHEMBL3256688)	Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Tyr-ONp as substrate by spectrophotometric analysis
50044246	1	ChEMBL_1340418 (CHEMBL3253106)	Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins
50044246	2	ChEMBL_1340419 (CHEMBL3253107)	Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins
50044247	1	ChEMBL_1340550 (CHEMBL3254974)	Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 2 by Lineweaver-Burk plot analysis
50044247	2	ChEMBL_1340551 (CHEMBL3254975)	Competitive inhibition of Sprague-Dawley rat liver adenylate kinase 3 by Lineweaver-Burk plot analysis
50044248	1	ChEMBL_1341438 (CHEMBL3253158)	Competitive inhibition of human erythrocyte purine nucleoside phosphorylase assessed as inhibition of guanosine phosphorylysis after 30 mins by Lineweaver-Burk plot analysis
50044249	1	ChEMBL_1341757 (CHEMBL3257320)	Inhibition of xanthine oxidase (unknown origin)
50006810	11	ChEMBL_39462 (CHEMBL653037)	Displacement of [3H]-PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)
50044250	1	ChEMBL_1340096 (CHEMBL3255837)	Competitive inhibition of purified calf thymus thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate after 7 mins by double reciprocal plot method
50006810	7	ChEMBL_39460 (CHEMBL653035)	Displacement of [3H]PK11195 from rat kidney peripheral benzodiazepine receptor (type 2)
50044250	2	ChEMBL_1340097 (CHEMBL3256243)	Competitive inhibition of purified mouse Ehrlich ascites tumor cell thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate after 7 mins by double reciprocal plot method
50044250	3	ChEMBL_1340098 (CHEMBL3256244)	Noncompetitive inhibition of purified calf thymus thymidylate synthetase using 5-[3H]-2'-deoxyuridine 5'-phosphate as substrate after 7 mins by double reciprocal plot method
50044251	1	ChEMBL_1345576 (CHEMBL3252498)	Inhibition of beef brain NADP-dependent aldehyde reductase using p-nitrobenzaldehyde by competitive inhibition assay
50006811	5	ChEMBL_1773 (CHEMBL616557)	Compound was evaluated for binding affinity on 5-HT1B receptors using rat cortex+striatum+ globus pallidus,[ 3H]-5-OH-tryptamine, and serotonin for NSB.
50006811	2	ChEMBL_59316 (CHEMBL670210)	Compound was evaluated for the binding affinity towards Dopamine receptor D2 using [3H]raclopride radioligand.
50044252	1	ChEMBL_1352817 (CHEMBL3268613)	Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated for 30 mins followed by FP-rhodamine labelling measured after 30 mins by gel-based competitive ABPP assay
50044252	2	ChEMBL_1352818 (CHEMBL3268614)	Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylglycerol preincubated for 30 mins followed by substrate addition measured after 30 mins by LC-MS analysis
50044252	3	ChEMBL_1352819 (CHEMBL3268615)	In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based competitive ABPP assay
50044252	4	ChEMBL_1352835 (CHEMBL3269007)	In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-based LC-MS/MS analysis
50044253	1	ChEMBL_1353018 (CHEMBL3270626)	Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric analysis
50006811	4	ChEMBL_60192 (CHEMBL674903)	Compound was evaluated for binding affinity on Dopamine receptor D1 using calf striatum
50044254	1	ChEMBL_1353169 (CHEMBL3266271)	Inhibition of methyltransferase activity of EHMT1 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-based LANCE ultra G9a assay
50044254	2	ChEMBL_1353170 (CHEMBL3266272)	Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-based LANCE ultra G9a assay
50044254	3	ChEMBL_1353174 (CHEMBL3266276)	Inhibition of DNMT1 (unknown origin)
50044255	1	ChEMBL_1353177 (CHEMBL3266279)	Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay
50044255	2	ChEMBL_1353179 (CHEMBL3266281)	Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay
50044255	3	ChEMBL_1353180 (CHEMBL3266282)	Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay
50044256	1	ChEMBL_1353303 (CHEMBL3267805)	Inhibition of purified recombinant c-MET (unknown origin) after 60 mins by ELISA
50006815	1	ChEMBL_68518 (CHEMBL676942)	Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.
50006816	1	ChEMBL_51123 (CHEMBL663558)	Inhibition of [125I]CRF binding to human corticotropin releasing factor receptor 1
50006817	1	ChEMBL_51122 (CHEMBL665735)	Inhibition of [125I]CRF binding to human Corticotropin releasing factor receptor 1 tested at 6-12 doses
50044256	2	ChEMBL_1353324 (CHEMBL3267826)	Agonist activity at dopamine D1 receptor (unknown origin)
50044256	3	ChEMBL_1353325 (CHEMBL3267827)	Antagonist activity at dopamine D1 receptor (unknown origin)
50044256	4	ChEMBL_1353326 (CHEMBL3267828)	Antagonist activity at dopamine D5 receptor (unknown origin)
50044256	5	ChEMBL_1353304 (CHEMBL3267806)	Inhibition of purified recombinant ALK (unknown origin) after 60 mins by ELISA
50044257	1	ChEMBL_1353335 (CHEMBL3267837)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of NADPH
50044257	2	ChEMBL_1353336 (CHEMBL3267838)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of NADPH
50044257	3	ChEMBL_1353337 (CHEMBL3267839)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of NADPH
50044257	4	ChEMBL_1353338 (CHEMBL3268199)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of NADPH
50044257	5	ChEMBL_1353328 (CHEMBL3267830)	Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 mins
50044258	1	ChEMBL_1353474 (CHEMBL3269457)	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay
50044258	2	ChEMBL_1353466 (CHEMBL3269449)	Binding affinity to human GPR17 expressed in CHO-K1 cell membranes after 60 mins by saturation curve study
50044258	3	ChEMBL_1353470 (CHEMBL3269453)	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by competition binding assay
50044258	4	ChEMBL_1353471 (CHEMBL3269454)	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by homologous competition binding assay in presence of pranlukast
50044259	1	ChEMBL_1353480 (CHEMBL3269463)	Inhibition of ACE (unknown origin)
50044259	2	ChEMBL_1353482 (CHEMBL3269465)	Inhibition of Escherichia coli dipeptidyl carboxypeptidase assessed as FAPGG substrate hydrolysis
50044259	3	ChEMBL_1353476 (CHEMBL3269459)	Inhibition of rabbit lung somatic ACE using FAPGG substrate
50044259	4	ChEMBL_1353478 (CHEMBL3269461)	Inhibition of human ACE C-terminal domain using Cbz-Phe-His-Leu-OH substrate
50044259	5	ChEMBL_1353477 (CHEMBL3269460)	Inhibition of human ACE N-terminal domain using Cbz-Phe-His-Leu-OH substrate
50006823	5	ChEMBL_1151 (CHEMBL616096)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor
50006823	3	ChEMBL_62275 (CHEMBL674410)	Displacement of [3H]raclopride from Dopamine receptor D3
50044260	1	ChEMBL_1353484 (CHEMBL3269820)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50044260	2	ChEMBL_1353485 (CHEMBL3269821)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes
50006825	5	ChEMBL_1163 (CHEMBL616108)	Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand.
50044260	3	ChEMBL_1353487 (CHEMBL3269823)	Agonist activity at mu opioid receptor in guinea pig ileum
50006825	2	ChEMBL_62555 (CHEMBL674067)	Binding affinity towards dopamine receptor D2 using [3H]-raclopride radioligand.
50044260	4	ChEMBL_1353488 (CHEMBL3269824)	Agonist activity at delta opioid receptor in mouse vas deferens
50006825	3	ChEMBL_2657 (CHEMBL618906)	Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]-ketanserin radioligand.
50044261	1	ChEMBL_1353507 (CHEMBL3269843)	Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis
50044261	2	ChEMBL_1353509 (CHEMBL3269845)	Agonist activity at Wistar rat brain 5HT1A receptor assessed as inhibition of firing rate of dorsal raphe nucleus by electrophysiological analysis
50006825	1	ChEMBL_2656 (CHEMBL618905)	Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin radioligand.
50044262	1	ChEMBL_1353638 (CHEMBL3271072)	Inhibition of Bacillus anthracis lethal toxin-induced mouse RAW264.7 cell death preincubated for 1 hr followed by lethal toxin challenge measured after 4 hrs
50006828	3	ChEMBL_162399 (CHEMBL769346)	Inhibition of Protein Kinase C(PKC)
50006829	5	ChEMBL_147164 (CHEMBL753854)	Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid delta receptor in guinea pig brain membranes
50006829	2	ChEMBL_146660 (CHEMBL753557)	Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opoid kappa receptor in guinea pig brain membranes
50006829	6	ChEMBL_146659 (CHEMBL753556)	Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on Opioid receptor kappa 1 in guinea pig brain membranes
50006829	7	ChEMBL_145294 (CHEMBL752188)	Compound was tested for the binding affinity and selectivity by competitive inhibition of radioligands on opioid Mu receptor in guinea pig brain membranes
50006835	1	ChEMBL_46807 (CHEMBL659694)	Displacement of [3H]CP-55940 from Cannabinoid receptor 1 of rat forebrain membranes
50006835	2	ChEMBL_47001 (CHEMBL658970)	Compound was evaluated for its binding affinity for mouse spleen Cannabinoid receptor 2
50006837	3	ChEMBL_48488 (CHEMBL662330)	Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate Coagulation factor X
50006837	2	ChEMBL_207953 (CHEMBL811069)	Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a.
50006837	1	ChEMBL_212174 (CHEMBL815149)	Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate trypsin
50006838	3	ChEMBL_208136 (CHEMBL816448)	In vitro for inhibition of serine protease thrombin(FIIa).
50006838	5	ChEMBL_212717 (CHEMBL818176)	In vitro for inhibition of serine protease Trypsin.
50006838	7	ChEMBL_48647 (CHEMBL656929)	In vitro for inhibition of Coagulation factor X
50006838	1	ChEMBL_212175 (CHEMBL815150)	compound was tested in vitro for inhibition of serine protease Trypsin.
50006838	6	ChEMBL_208716 (CHEMBL808497)	compound was tested in vitro for inhibition of serine protease thrombin(FIIa).
50006838	4	ChEMBL_208676 (CHEMBL813335)	compound was tested in vitro for inhibition of serine protease thrombin(FIIa).
50006838	2	ChEMBL_48948 (CHEMBL661661)	compound was tested in vitro for inhibition of Coagulation factor X
50044263	1	ChEMBL_1353643 (CHEMBL3271432)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain cerebellum membrane
50044263	2	ChEMBL_1353644 (CHEMBL3271433)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane
50044263	3	ChEMBL_1353645 (CHEMBL3271434)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum membrane
50044263	4	ChEMBL_1353648 (CHEMBL3271437)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding
50044263	5	ChEMBL_1353650 (CHEMBL3271439)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding
50044263	6	ChEMBL_1353652 (CHEMBL3271441)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]-GTP[gammaS] binding
50044263	7	ChEMBL_1353654 (CHEMBL3271443)	Agonist activity at human mu opioid receptor expressed in HEK293 cells by CellKey method
50044263	8	ChEMBL_1353656 (CHEMBL3271445)	Agonist activity at human delta opioid receptor expressed in HEK293 cells by CellKey method
50044263	9	ChEMBL_1353658 (CHEMBL3271447)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells by CellKey method
50044264	1	ChEMBL_1353662 (CHEMBL3271451)	Inhibition of wild type EZH2 (unknown origin)
50044264	2	ChEMBL_1353674 (CHEMBL3271463)	Inhibition of EZH2 in human KARPAS422 cells assessed as global reduction in H3K27me3 level after 4 days by ELISA-based assay
50044264	3	ChEMBL_1353675 (CHEMBL3271464)	Inhibition of EZH2 in human KARPAS422 cells assessed as global reduction in H3K27me3 level after 7 days by ELISA-based assay
50044264	4	ChEMBL_1353676 (CHEMBL3271465)	Inhibition of EZH2 in human KARPAS422 cells assessed as global reduction in H3K27me3 level after 10 days by ELISA-based assay
50044265	1	ChEMBL_1353679 (CHEMBL3271468)	Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay
50044265	2	ChEMBL_1353681 (CHEMBL3271470)	Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay
50044265	3	ChEMBL_1353678 (CHEMBL3271467)	Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay
50044266	1	ChEMBL_1353683 (CHEMBL3271815)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells assessed as luminescence for 20 seconds interval by aequorin assay in presence of 0.01% human serum albumin
50044266	2	ChEMBL_1351094 (CHEMBL3270083)	Agonist activity at GPR40 (unknown origin) expressed in mouse A9 cells assessed as inositol phosphate accumulation using [myo-3H]inositol after 1 hr by scintillation counting in presence of 0.3% human serum albumin
50006850	1	ChEMBL_159327 (CHEMBL769380)	HIV Protease inhibitory activity
50006850	2	ChEMBL_157706 (CHEMBL763380)	HIV Protease inhibitory activity
50044267	1	ChEMBL_1351105 (CHEMBL3270094)	Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by AlphaScreen assay
50000845	1	ChEBML_1696272	Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay
50000845	4	ChEMBL_1696272 (CHEMBL4047162)	Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay
50044268	2	ChEMBL_1351334 (CHEMBL3266183)	Displacement of [3H]CP55940 from human brain CB2 receptor expressed in HEK293 cells
50000845	2	ChEBML_1696273	Agonist activity at mouse CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay
50000845	3	ChEBML_1696286	Agonist activity at rat CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay
50044268	3	ChEMBL_1351338 (CHEMBL3266187)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP level
50044268	4	ChEMBL_1351332 (CHEMBL3266181)	Displacement of [3H]CP55940 from rat brain CB1 receptor
50006852	2	ChEMBL_70244 (CHEMBL680443)	Displacement of [3H]-Ro- 15-4513 from alpha-6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes
50044268	1	ChEMBL_1351333 (CHEMBL3266182)	Displacement of [3H]CP55940 from mouse brain CB2 receptor expressed in HEK293 cells
50044269	1	ChEMBL_1351340 (CHEMBL3266189)	Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate preincubated for 15 mins prior to substrate challenge measured for 120 mins by fluorescence analysis
50044269	2	ChEMBL_1351341 (CHEMBL3266190)	Inhibition of immunoproteasome-20S subunit beta5i in human PBMC assessed as substrate hydrolysis using suc-LLVY-AMC as substrate measured for 120 mins by fluorescence analysis
50044270	1	ChEMBL_1351354 (CHEMBL3266567)	Binding affinity to HIV1 integrase by displacement assay
50044270	2	ChEMBL_1351355 (CHEMBL3266568)	Inhibition of HIV1 integrase by LTR cleavage assay
50044270	3	ChEMBL_1351368 (CHEMBL3266581)	Inhibition of CYP3A4 (unknown origin)
50044270	4	ChEMBL_1351369 (CHEMBL3266582)	Inhibition of CYP2D6 (unknown origin)
50044271	1	ChEMBL_1351374 (CHEMBL3266587)	Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake
50044271	2	ChEMBL_1351579 (CHEMBL3268547)	Inhibition of mouse GlyT1
50044271	3	ChEMBL_1351382 (CHEMBL3266595)	Inhibition of CYP2D6 (unknown origin)
50044271	4	ChEMBL_1351385 (CHEMBL3266598)	Inhibition of CYP2C19 (unknown origin)
50044271	5	ChEMBL_1351381 (CHEMBL3266594)	Inhibition of CYP3A4 (unknown origin)
50044271	6	ChEMBL_1351383 (CHEMBL3266596)	Inhibition of CYP2C9 (unknown origin)
50044271	7	ChEMBL_1351582 (CHEMBL3268915)	Inhibition of GlyT1 (unknown origin)
50044271	8	ChEMBL_1351584 (CHEMBL3268917)	Inhibition of human GlyT2 expressed in cells assessed as [3H]glycine uptake
50044272	1	ChEMBL_1351619 (CHEMBL3268952)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells
50044272	2	ChEMBL_1351620 (CHEMBL3268953)	Displacement of [125I]-R-O-DOI from human 5-HT2A receptor expressed in CHO-K1 cells by by liquid scintillation spectrometry
50044272	3	ChEMBL_1351621 (CHEMBL3268954)	Displacement of [125I]-R-O-DOI from human 5-HT2B receptor expressed in CHO-K1 cells by by liquid scintillation spectrometry
50044273	1	ChEMBL_1351812 (CHEMBL3270963)	Inhibition of recombinant human C-terminally His-tagged NAMPT by TR-FRET assay in presence of PRPP
50044274	1	ChEMBL_1351813 (CHEMBL3271319)	Inhibition of human recombinant SYK by HTRF assay
50044275	1	ChEMBL_1351814 (CHEMBL3271320)	Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay
50044276	1	ChEMBL_1351816 (CHEMBL3271322)	Inhibition of GCN2-mediated elF2alpha phosphorylation in human U2OS cells after 2 hrs by immunocytochemistry
50044276	2	ChEMBL_1351815 (CHEMBL3271321)	Inhibition of GCN2 (unknown origin) using GFP-elF2a as substrate preincubated with substrate for 20 mins measured after 90 mins by Lanthascreen assay
50044277	1	ChEMBL_1351817 (CHEMBL3271323)	Binding affinity to rat 5HT7 receptor
50044277	2	ChEMBL_1351818 (CHEMBL3271324)	Binding affinity to human SERT
50044277	3	ChEMBL_1351819 (CHEMBL3271325)	Binding affinity to human 5HT6 receptor
50044277	4	ChEMBL_1351820 (CHEMBL3271326)	Binding affinity to human 5HT2A receptor
50044277	5	ChEMBL_1351821 (CHEMBL3271327)	Binding affinity to human 5HT2B receptor
50044277	6	ChEMBL_1351822 (CHEMBL3271328)	Binding affinity to human 5HT2C receptor
50044278	1	ChEMBL_1351824 (CHEMBL3271330)	Inhibition of human coagulation factor 11a after 20 to 180 mins
50044278	2	ChEMBL_1351825 (CHEMBL3271331)	Inhibition of human plasma kallikrein using S-2302 as substrate at 25 degC after 20 to 180 mins
50044278	3	ChEMBL_1351826 (CHEMBL3271332)	Inhibition of human plasma kallikrein using S-2302 as substrate at 37 degC after 20 to 180 mins
50044279	1	ChEMBL_1351827 (CHEMBL3271333)	Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Escherichia coli (DE3) cells after 30 mins by mass spectrometry-based analysis
50044279	2	ChEMBL_1351850 (CHEMBL3271356)	Inhibition of rat NAMPT after 30 mins by mass spectrometry-based analysis
50044279	3	ChEMBL_1351849 (CHEMBL3271355)	Inhibition of mouse NAMPT after 30 mins by mass spectrometry-based analysis
50044279	4	ChEMBL_1351856 (CHEMBL3271362)	Inhibition of NAMPT in human PC3 cells assessed as reduction in NAD level after 48 hrs by mass spectrometry
50044279	5	ChEMBL_1351854 (CHEMBL3271360)	Inhibition of NAMPT in mouse cells assessed as reduction in NAD level after 48 hrs by mass spectrometry
50044280	1	ChEMBL_1352083 (CHEMBL3267348)	Inhibition of human recombinant adenosine receptor A2a
50044280	2	ChEMBL_1352084 (CHEMBL3267349)	Inhibition of human recombinant adenosine A1 receptor
50044280	3	ChEMBL_1352085 (CHEMBL3267350)	Inhibition of human recombinant adenosine A3 receptor
50044280	4	ChEMBL_1352081 (CHEMBL3267346)	Inhibition of human recombinant adenosine receptor A2b
50044280	5	ChEMBL_1352092 (CHEMBL3267357)	Inhibition of rat recombinant adenosine A1 receptor
50044280	6	ChEMBL_1352095 (CHEMBL3267360)	Inhibition of rat recombinant adenosine A3 receptor
50044280	7	ChEMBL_1352100 (CHEMBL3267365)	Agonist activity at adenosine receptor A2a (unknown origin) assessed as cAMP formation
50044280	8	ChEMBL_1352069 (CHEMBL3267334)	Agonist activity at adenosine receptor A2a in isolated rat aorta assessed as efficacy
50044280	9	ChEMBL_1352082 (CHEMBL3267347)	Antagonist activity at human recombinant adenosine receptor A2a by cAMP assay
50044280	10	ChEMBL_1352134 (CHEMBL3267743)	Inhibition of CYP3A4 (unknown origin)
50044280	11	ChEMBL_1352135 (CHEMBL3267744)	Inhibition of human ERG channel by patch-clamp assay
50044280	12	ChEMBL_1352141 (CHEMBL3267750)	Binding affinity to adenosine receptor A2a in rat striatum
50044280	13	ChEMBL_1352090 (CHEMBL3267355)	Antagonist activity at human recombinant adenosine A1 receptor by cAMP assay
50044280	14	ChEMBL_1352091 (CHEMBL3267356)	Inhibition of rat recombinant adenosine receptor A2a
50044280	15	ChEMBL_1352071 (CHEMBL3267336)	Binding affinity to human recombinant adenosine receptor A2a
50006859	10	ChEMBL_1992 (CHEMBL617595)	Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.
50044280	16	ChEMBL_1352072 (CHEMBL3267337)	Agonist activity at human recombinant adenosine receptor A2a by cAMP assay
50044280	17	ChEMBL_1352073 (CHEMBL3267338)	Binding affinity to rat recombinant adenosine receptor A2a
50044280	18	ChEMBL_1352074 (CHEMBL3267339)	Agonist activity at human recombinant adenosine receptor A2b by cAMP assay
50006859	8	ChEMBL_935 (CHEMBL616300)	Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.
50044280	19	ChEMBL_1352075 (CHEMBL3267340)	Binding affinity to human recombinant adenosine A1 receptor
50006859	3	ChEMBL_2031 (CHEMBL616865)	Compound was tested for binding affinity against cloned human 5-HT1D beta receptor expressed in CHO-K1 cells.
50044280	20	ChEMBL_1352076 (CHEMBL3267341)	Agonist activity at human recombinant adenosine A1 receptor by cAMP assay
50006859	4	ChEMBL_60228 (CHEMBL672797)	Compound was tested for binding affinity against cloned human Dopamine receptor D2 expressed in CHO-K1 cells.
50044280	21	ChEMBL_1352077 (CHEMBL3267342)	Binding affinity to rat recombinant adenosine A1 receptor
50044280	22	ChEMBL_1352078 (CHEMBL3267343)	Binding affinity to human recombinant adenosine A3 receptor
50044280	23	ChEMBL_1352079 (CHEMBL3267344)	Agonist activity at human recombinant adenosine A3 receptor by cAMP assay
50044281	1	ChEMBL_1352142 (CHEMBL3267751)	Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis
50006872	1	ChEMBL_141146 (CHEMBL749664)	Concentration required to inhibit of N-methyl-D-aspartic acid (NMDA) receptor produced by oocytes
50044281	2	ChEMBL_1352207 (CHEMBL3268563)	Inhibition of human recombinant CYP2C19
50044281	3	ChEMBL_1352208 (CHEMBL3268564)	Inhibition of human recombinant CYP2C9
50044281	4	ChEMBL_1352209 (CHEMBL3268565)	Inhibition of human recombinant CYP3A4
50006875	1	ChEMBL_30116 (CHEMBL642043)	Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets
50044281	5	ChEMBL_1352210 (CHEMBL3268566)	Inhibition of CYP3A4 in human hepatocytes
50044281	6	ChEMBL_1352242 (CHEMBL3268960)	Inhibition of CYP3A4 in human liver microsomes
50044282	1	ChEMBL_1352244 (CHEMBL3268962)	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cells
50044282	2	ChEMBL_1352245 (CHEMBL3268963)	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cells
50044282	3	ChEMBL_1352246 (CHEMBL3268964)	Agonist activity at MT1 receptor (unknown origin) expressed in HEK293 cells by [35S]GTPgamma binding assay
50044282	4	ChEMBL_1352247 (CHEMBL3268965)	Agonist activity at MT2 receptor (unknown origin) expressed in HEK293 cells by [35S]GTPgamma binding assay
50044282	5	ChEMBL_1352249 (CHEMBL3268967)	Binding affinity to MT1 receptor (unknown origin) expressed in HEK293 cells
50044282	6	ChEMBL_1352250 (CHEMBL3268968)	Binding affinity to MT2 receptor (unknown origin) expressed in HEK293 cells
50044282	7	ChEMBL_1352251 (CHEMBL3268969)	Agonist activity at MT1 receptor (unknown origin) expressed in mouse NIH3T3 cells assessed as inhibition of forskolin-induced cAMP accumulation
50044282	8	ChEMBL_1352252 (CHEMBL3268970)	Agonist activity at MT2 receptor (unknown origin) expressed in mouse NIH3T3 cells assessed as inhibition of forskolin-induced cAMP accumulation
50044282	9	ChEMBL_1352253 (CHEMBL3268971)	Binding affinity to MT1 receptor (unknown origin)
50044282	10	ChEMBL_1352254 (CHEMBL3268972)	Binding affinity to MT2 receptor (unknown origin)
50044282	11	ChEMBL_1352255 (CHEMBL3268973)	Antagonist activity at MT1 receptor (unknown origin) expressed in mouse NIH3T3 cells by [35S]GTPgammaS binding assay
50044282	12	ChEMBL_1352256 (CHEMBL3268974)	Antagonist activity at MT2 receptor (unknown origin) expressed in mouse NIH3T3 cells by [35S]GTPgammaS binding assay
50044282	13	ChEMBL_1352258 (CHEMBL3268976)	Antagonist activity at MT1 receptor (unknown origin) assessed as cAMP accumulation
50044282	14	ChEMBL_1352259 (CHEMBL3268977)	Antagonist activity at MT2 receptor (unknown origin) assessed as cAMP accumulation
50044282	15	ChEMBL_1352334 (CHEMBL3269751)	Displacement of [125I]2-iodomelatonin from human MT1 receptor expressed in CHO cells
50044282	16	ChEMBL_1352335 (CHEMBL3269752)	Displacement of [125I]2-iodomelatonin from human MT2 receptor expressed in CHO cells
50044282	17	ChEMBL_1352268 (CHEMBL3268986)	Binding affinity to MT1 receptor (unknown origin) expressed in HEK cells
50044282	18	ChEMBL_1352269 (CHEMBL3268987)	Binding affinity to MT2 receptor (unknown origin) expressed in HEK cells
50044282	19	ChEMBL_1352266 (CHEMBL3268984)	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in mouse NIH3T3 cells
50044282	20	ChEMBL_1352267 (CHEMBL3268985)	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in mouse NIH3T3 cells
50044282	21	ChEMBL_1352264 (CHEMBL3268982)	Antagonist activity at human MT1 receptor
50044282	22	ChEMBL_1352265 (CHEMBL3268983)	Antagonist activity at human MT2 receptor
50044282	23	ChEMBL_1352261 (CHEMBL3268979)	Displacement of [125I]2-iodomelatonin from MT1 receptor (unknown origin) expressed in HEK293 cells
50044282	24	ChEMBL_1352262 (CHEMBL3268980)	Displacement of [125I]2-iodomelatonin from MT2 receptor (unknown origin) expressed in HEK293 cells
50044283	1	ChEMBL_1352338 (CHEMBL3269755)	Displacement of 8-NBD-cAMP from EPAC2 (unknown origin) by fluorescence plate reader analysis
50044283	2	ChEMBL_1352339 (CHEMBL3269756)	Inhibition of EPAC2 (unknown origin)
50044283	3	ChEMBL_1352340 (CHEMBL3269757)	Inhibition of EPAC1 (unknown origin) assessed as cAMP-mediated GEF activity
50044284	1	ChEMBL_1352344 (CHEMBL3269761)	Transactivation of human FXR transfected in human HepG2 cells by beta-galactosidase reporter gene assay
50044284	2	ChEMBL_1352347 (CHEMBL3269764)	Transactivation of human GP-BAR1 transfected in HEK293T cells assessed as induction of intracellular cAMP production after 18 hrs by cAMP responsive element containing luciferase reporter gene assay
50044285	1	ChEMBL_1352357 (CHEMBL3269774)	Agonist activity at human recombinant TLR4 expressed in HEK293 cells by SEAP reporter assay
50044286	1	ChEMBL_1352588 (CHEMBL3265847)	Inhibition of human ERG expressed in CHO cells
50044287	1	ChEMBL_1352646 (CHEMBL3266651)	Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay
50044288	1	ChEMBL_1352845 (CHEMBL3269017)	Inhibition of human geranylgeranyl diphosphate synthase
50044288	2	ChEMBL_1352846 (CHEMBL3269018)	Inhibition of Staphylococcus aureus CrtM
50044288	3	ChEMBL_1352847 (CHEMBL3269019)	Inhibition of human SQS
50044289	1	ChEMBL_1352881 (CHEMBL3269398)	Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes
50044290	1	ChEMBL_1353220 (CHEMBL3266697)	Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay
50044290	2	ChEMBL_1353223 (CHEMBL3266700)	Inhibition of human ERG by electrophysiology assay
50044290	3	ChEMBL_1353342 (CHEMBL3268203)	Inhibition of Cathepsin K (unknown origin)
50044290	4	ChEMBL_1353343 (CHEMBL3268204)	Inhibition of Cathepsin L (unknown origin)
50044290	5	ChEMBL_1353344 (CHEMBL3268205)	Inhibition of Cathepsin S (unknown origin)
50044290	6	ChEMBL_1353345 (CHEMBL3268206)	Inhibition of Cathepsin B (unknown origin)
50044290	7	ChEMBL_1353219 (CHEMBL3266696)	Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins by fluorescence assay
50044291	1	ChEMBL_1351172 (CHEMBL3270915)	Agonist activity at human mu opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50044291	2	ChEMBL_1351168 (CHEMBL3270911)	Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranes
50006881	4	ChEMBL_936 (CHEMBL616301)	Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1A receptor in CHO-K1 cells
50006881	3	ChEMBL_1723 (CHEMBL616928)	Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cells
50044291	3	ChEMBL_1351169 (CHEMBL3270912)	Displacement of [3H]DAMGO from human mu opioid receptor transfected in CHO cell membranes after 60 mins
50044291	4	ChEMBL_1351170 (CHEMBL3270913)	Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins
50044291	5	ChEMBL_1351171 (CHEMBL3270914)	Agonist activity at human nociceptin opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50044291	6	ChEMBL_1351174 (CHEMBL3270917)	Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50044292	1	ChEMBL_1351191 (CHEMBL3271292)	Inhibition of full-length human factor-11a-mediated S-2366 hydrolysis preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50044292	2	ChEMBL_1351194 (CHEMBL3271295)	Binding affinity to fluorescein-EGR-labeled human factor-11a by fluorescence spectroscopic analysis
50044292	3	ChEMBL_1351264 (CHEMBL3265749)	Inhibition of human factor-11a catalytic domain-mediated S-2366 hydrolysis preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50044293	1	ChEMBL_1351267 (CHEMBL3265752)	Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay
50044293	2	ChEMBL_1351266 (CHEMBL3265751)	Binding affinity to N-terminal His-tagged C-terminal Avi-tagged MAP4K4 (unknown origin) expressed in baculovirus expression system by surface plasmon resonance analysis
50044294	1	ChEMBL_1351305 (CHEMBL3266154)	Inhibition of B-Raf (unknown origin) after 1 hr by ADP-Glo assay
50044294	2	ChEMBL_1351306 (CHEMBL3266155)	Inhibition of C-Raf (unknown origin) after 1 hr by ADP-Glo assay
50044295	1	ChEMBL_1351308 (CHEMBL3266157)	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release measured for 3 mins by FLIPR assay
50006883	2	ChEMBL_201640 (CHEMBL806541)	Compound was tested for inhibition of [3H]citalopram binding at the serotonin transporter in rat fore brain membranes
50006883	8	ChEMBL_201639 (CHEMBL806540)	Compound was tested for inhibition of [3H]5-HT reuptake at Serotonin transporter
50006883	7	ChEMBL_61984 (CHEMBL670589)	Compound was tested for inhibition of [3H]WIN-35428 binding at the dopamine transporter in rat striatal membrane
50030163	9	ChEMBL_303533 (CHEMBL839647)	In vitro inhibition of [3H]paroxetine binding to 5-hydroxytryptamine transporter in rat cerebral cortex membranes
50044295	3	ChEMBL_1351307 (CHEMBL3266156)	Displacement of [3H]-7-alpha,25-OHC from recombinant human EBI2 receptor expressed in CHO cells after 10 mins by scintillation counting analysis
50030163	7	ChEMBL_303407 (CHEMBL839164)	In vitro inhibition of [3H]GR-113808 binding to 5-hydroxytryptamine 4 receptor of rat striatum membranes
50044295	2	ChEMBL_1351309 (CHEMBL3266158)	Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release measured for 3 mins by FLIPR assay
50044295	4	ChEMBL_1352279 (CHEMBL3268997)	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.33 nM oxysterol-induced [35S]GTPgammaS binding after 1 hr by scintillation counting analysis
50044295	5	ChEMBL_1352280 (CHEMBL3268998)	Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.1 nM oxysterol-induced [35S]GTPgammaS binding after 1 hr by scintillation counting analysis
50044295	6	ChEMBL_1352281 (CHEMBL3268999)	Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of oxysterol-induced calcium release measured for 3 mins by FLIPR assay
50030163	6	ChEMBL_303506 (CHEMBL839978)	In vitro inhibition of [3H]LY-278584 binding to 5-hydroxytryptamine 3 receptor in rat cerebral cortex membranes
50044295	7	ChEMBL_1352282 (CHEMBL3269346)	Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometric analysis
50030163	2	ChEMBL_303290 (CHEMBL828283)	In vitro inhibition of [3H]-raclopride binding to Dopamine receptor D2 in rat striatum membranes
50006894	5	ChEMBL_195305 (CHEMBL799861)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha
50006894	6	ChEMBL_195818 (CHEMBL799667)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta
50006894	2	ChEMBL_196328 (CHEMBL806271)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma
50035668	2	ChEMBL_921272 (CHEMBL3054398)	Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 80 min by competitive inhibition assay
50044296	1	ChEMBL_1352295 (CHEMBL3269359)	Inhibition of human reticulocyte 12/15-lipoxygenase using arachidonic acid/linoleic acid as substrate by fluorescence assay
50044296	2	ChEMBL_1352296 (CHEMBL3269360)	Inhibition of rabbit reticulocyte 12/15-lipoxygenase
50044296	3	ChEMBL_1352297 (CHEMBL3269361)	Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis
50044296	4	ChEMBL_1352302 (CHEMBL3269366)	Inhibition of human 5-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis
50044296	5	ChEMBL_1352303 (CHEMBL3269367)	Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis
50044296	6	ChEMBL_1352304 (CHEMBL3269368)	Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysis
50044296	7	ChEMBL_1352309 (CHEMBL3269373)	Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium constant of dissociation from catalytic site measured 15-HpETE formation by UV-vis spectrometric analysis
50044296	8	ChEMBL_1352310 (CHEMBL3269374)	Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium constant of dissociation from secondary site measured 15-HpETE formation by UV-vis spectrometric analysis
50044297	1	ChEMBL_1351517 (CHEMBL3268112)	Binding affinity to VAV1 C1 domain (unknown origin)
50044297	2	ChEMBL_1351518 (CHEMBL3268113)	Binding affinity to PKC-delta C1B domain (unknown origin)
50044297	3	ChEMBL_1351519 (CHEMBL3268114)	Displacement of [20-3H]PDBu from GST-tagged full-length mouse PKC-delta C1B domain expressed in Escherichia coli after 2 to 30 mins by polyethylene glycol precipitation assay in presence of phosphatidylserine
50044298	1	ChEMBL_1351542 (CHEMBL3268510)	Agonist activity at human FXR expressed in human HeLa cells assessed as transactivation after 24 hrs by luciferase reporter gene assay
50044298	2	ChEMBL_1351537 (CHEMBL3268505)	Agonist activity at FXR (unknown origin) by coactivator recruitment assay
50044298	3	ChEMBL_1351539 (CHEMBL3268507)	Agonist activity at FXR (unknown origin) by reporter gene assay
50044299	1	ChEMBL_1351558 (CHEMBL3268526)	Displacement of labeled MCP-1 from human CCR2 expressed in THP1 cells
50006902	1	ChEMBL_260 (CHEMBL615701)	Inhibition of 5-Desaturase involved in ergosterol biosynthesis
50006903	3	ChEMBL_89201 (CHEMBL701152)	The compound was evaluated for the inhibitory potencies using human Inducible nitric oxide synthase (hiNOS)
50006903	1	ChEMBL_65305 (CHEMBL678079)	The compound was evaluated for the inhibitory potencies using human Endothelial nitric oxide synthase
50006903	2	ChEMBL_89363 (CHEMBL699693)	Binding affinity against mouse Inducible nitric oxide synthase (iNOS)
50044299	2	ChEMBL_1351560 (CHEMBL3268528)	Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells
50006904	3	ChEMBL_156353 (CHEMBL761683)	Compound was tested for the inhibitory activity against porcine pancreatic PLA2
50044299	3	ChEMBL_1352398 (CHEMBL3270166)	Antagonist activity at human CCR2 expressed in THP1 cells assessed as inhibition of MCP-1 induced chemotaxis
50044300	1	ChEMBL_1352419 (CHEMBL3270579)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at 5 mins post substrate addition by fluorescence assay in presence of 1 mg/mL BSA
50044300	2	ChEMBL_1352418 (CHEMBL3270578)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured at 5 mins post substrate addition by fluorescence assay in presence of 0.1 mg/mL BSA
50006905	10	ChEMBL_156055 (CHEMBL764625)	Compound was tested for inhibition of human secretory pancreatic PLA2
50006905	9	ChEMBL_156054 (CHEMBL760630)	Compound was tested for inhibition of human secretory pancreatic Phospholipase A2
50044300	3	ChEMBL_1352417 (CHEMBL3270577)	Displacement of ACPU from recombinant human soluble epoxide hydrolase after 1.5 hrs by FRET assay
50006905	7	ChEMBL_156052 (CHEMBL760628)	Compound was evaluated to inhibit human secretory pancreatic Phospholipase A2
50006905	4	ChEMBL_156352 (CHEMBL761682)	Compound was tested for inhibition of porcine secretory pancreatic Phospholipase A2
50006905	8	ChEMBL_156053 (CHEMBL760629)	Compound was tested for inhibition of human secreted pancreatic PLA2
50044301	1	ChEMBL_1352439 (CHEMBL3270599)	Inhibition of BMX (unknown origin)
50044301	2	ChEMBL_1352440 (CHEMBL3270600)	Inhibition of ITK (unknown origin)
50044301	3	ChEMBL_1352441 (CHEMBL3270601)	Inhibition of TEC (unknown origin)
50006905	6	ChEMBL_156351 (CHEMBL871971)	Compound was tested for inhibition of porcine secretory pancreatic PLA2
50006905	1	ChEMBL_156355 (CHEMBL761685)	Compound was tested for inhibition of porcine secreted pancreatic PLA2
50044301	4	ChEMBL_1352442 (CHEMBL3270602)	Inhibition of TXK (unknown origin)
50044301	5	ChEMBL_1352443 (CHEMBL3270964)	Inhibition of FLT3 (unknown origin)
50044301	6	ChEMBL_1352444 (CHEMBL3270965)	Inhibition of MAPKAPK3 (unknown origin)
50044301	7	ChEMBL_1352445 (CHEMBL3270966)	Inhibition of SRC (unknown origin)
50044301	8	ChEMBL_1352446 (CHEMBL3270967)	Inhibition of JAK2 (unknown origin)
50044301	9	ChEMBL_1352447 (CHEMBL3270968)	Inhibition of JAK3 (unknown origin)
50044301	10	ChEMBL_1352448 (CHEMBL3270969)	Inhibition of HER1 (unknown origin)
50044301	11	ChEMBL_1352449 (CHEMBL3270970)	Inhibition of INSR (unknown origin)
50006905	2	ChEMBL_156190 (CHEMBL761441)	Compound was evaluated to inhibit human nonpancreatic secretory Phospholipase A2 through chromogenic assay
50044301	12	ChEMBL_1352450 (CHEMBL3270971)	Inhibition of MK2 (unknown origin)
50044301	13	ChEMBL_1352451 (CHEMBL3270972)	Inhibition of IKK1 (unknown origin)
50044301	14	ChEMBL_1352452 (CHEMBL3270973)	Inhibition of IKK2 (unknown origin)
50044301	15	ChEMBL_1352453 (CHEMBL3270974)	Inhibition of IRAK4 (unknown origin)
50044301	16	ChEMBL_1352454 (CHEMBL3270975)	Inhibition of GSK3B (unknown origin)
50044301	17	ChEMBL_1352455 (CHEMBL3270976)	Inhibition of IGF1R (unknown origin)
50044301	18	ChEMBL_1352456 (CHEMBL3270977)	Inhibition of BTK-induced calcium flux in human Ramos cells
50044301	19	ChEMBL_1352457 (CHEMBL3270978)	Inhibition of BTK phosphorylation in human Ramos cells by Western blotting
50044301	20	ChEMBL_1352458 (CHEMBL3270979)	Inhibition of BTK in human tonsilar B cells assessed as inhibition of IL6 expression after 1 hr by EIA
50044301	21	ChEMBL_1352459 (CHEMBL3270980)	Inhibition of BTK-mediated proliferation in human tonsilar B cells assessed as [3H]thymidine incorporation after 1 hr by liquid scintillation counting
50044301	22	ChEMBL_1352460 (CHEMBL3270981)	Inhibition of BTK-mediated CD86 surface expression in human peripheral blood mononuclear cells after 18 hrs by antibody-based FACS analysis
50044301	23	ChEMBL_1352461 (CHEMBL3270982)	Inhibition of BTK-mediated CD86 surface expression in mouse splenic B cells after 18 hrs by antibody-based FACS analysis
50044301	24	ChEMBL_1351750 (CHEMBL3270539)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50044301	25	ChEMBL_1351751 (CHEMBL3270540)	Inhibition of CYP3A4 (unknown origin) using benzyloxyresorufin as substrate
50044301	26	ChEMBL_1351752 (CHEMBL3270541)	Inhibition of CYP2C8 (unknown origin)
50044301	27	ChEMBL_1351753 (CHEMBL3270542)	Inhibition of CYP2C9 (unknown origin)
50044301	28	ChEMBL_1351754 (CHEMBL3270543)	Inhibition of CYP2C19 (unknown origin)
50044301	29	ChEMBL_1351755 (CHEMBL3270544)	Inhibition of CYP2D6 (unknown origin)
50044301	30	ChEMBL_1351756 (CHEMBL3270545)	Inhibition of human ERG
50044301	31	ChEMBL_1352435 (CHEMBL3270595)	Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence assay
50044302	1	ChEMBL_1351769 (CHEMBL3270558)	Positive allosteric modulation of human FSH receptor expressed in CHO cells assessed as effect on FSH-induced cAMP accumulation after 1 hr by HTRF assay
50044303	1	ChEMBL_1351781 (CHEMBL3270932)	Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation counting
50044303	2	ChEMBL_1351782 (CHEMBL3270933)	Displacement of [3H]T0901317 from LXRalpha (unknown origin)
50044303	3	ChEMBL_1351783 (CHEMBL3270934)	Displacement of [3H]T0901317 from LXRbeta (unknown origin)
50044303	4	ChEMBL_1351786 (CHEMBL3270937)	Inverse agonist activity at human GAL4-fused RORc expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay
50044303	5	ChEMBL_1351787 (CHEMBL3270938)	Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay
50044303	6	ChEMBL_1351788 (CHEMBL3270939)	Inverse agonist activity at human GAL4-fused RORa expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay
50044303	7	ChEMBL_1351789 (CHEMBL3270940)	Inverse agonist activity at human GAL4-fused LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity after 5 hrs by luciferase reporter gene assay
50044303	8	ChEMBL_1351790 (CHEMBL3270941)	Inverse agonist activity at human GAL4-fused LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity after 5 hrs by luciferase reporter gene assay
50044303	9	ChEMBL_1351784 (CHEMBL3270935)	Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3 hrs by time-resolved FRET assay
50044304	1	ChEMBL_1352052 (CHEMBL3267045)	Inhibition of CYP2C9 (unknown origin)
50044304	2	ChEMBL_1352053 (CHEMBL3267046)	Inhibition of CYP2C19 (unknown origin)
50044304	3	ChEMBL_1352054 (CHEMBL3267047)	Inhibition of CYP2D6 (unknown origin)
50044304	4	ChEMBL_1352055 (CHEMBL3267048)	Inhibition of CYP3A4 (unknown origin)
50044305	1	ChEMBL_1352795 (CHEMBL3268195)	Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay
50044305	2	ChEMBL_1352793 (CHEMBL3268193)	Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay
50044305	3	ChEMBL_1352780 (CHEMBL3268180)	Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding
50044305	4	ChEMBL_1352781 (CHEMBL3268181)	Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding
50044305	5	ChEMBL_1352783 (CHEMBL3268183)	Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes
50044305	6	ChEMBL_1352784 (CHEMBL3268184)	Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes
50044305	7	ChEMBL_1352796 (CHEMBL3268196)	Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay
50044305	8	ChEMBL_1352797 (CHEMBL3268197)	Binding affinity to 5-HT2B receptor (unknown origin)
50044305	9	ChEMBL_1352899 (CHEMBL3269416)	Binding affinity to histamine H1 receptor (unknown origin)
50044305	10	ChEMBL_1352900 (CHEMBL3269417)	Binding affinity to muscarinic M1 receptor (unknown origin)
50044305	11	ChEMBL_1352901 (CHEMBL3269418)	Binding affinity to muscarinic M2 receptor (unknown origin)
50044305	12	ChEMBL_1352902 (CHEMBL3269419)	Binding affinity to muscarinic M3 receptor (unknown origin)
50006920	1	ChEMBL_157575 (CHEMBL763326)	Binding affinity to inhibit the purified wild-type HIV-1 Protease
50044305	13	ChEMBL_1352903 (CHEMBL3269420)	Binding affinity to muscarinic M4 receptor (unknown origin)
50044305	14	ChEMBL_1352904 (CHEMBL3269421)	Binding affinity to NET (unknown origin)
50044305	15	ChEMBL_1352905 (CHEMBL3269422)	Binding affinity to sigma-1 receptor (unknown origin)
50044305	16	ChEMBL_1352906 (CHEMBL3269423)	Binding affinity to dopamine D3 receptor (unknown origin)
50044305	17	ChEMBL_1352912 (CHEMBL3269779)	Antagonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of SNC-80-stimulated [35S]-GTP[gammaS] binding
50044305	18	ChEMBL_1352925 (CHEMBL3269792)	Inhibition of human ERG channel
50044305	19	ChEMBL_1352930 (CHEMBL3269797)	Binding affinity to adrenergic alpha2C receptor (unknown origin)
50044305	20	ChEMBL_1352785 (CHEMBL3268185)	Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes
50044305	21	ChEMBL_1352789 (CHEMBL3268189)	Agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding
50044305	22	ChEMBL_1352790 (CHEMBL3268190)	Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding
50044305	23	ChEMBL_1352791 (CHEMBL3268191)	Agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding
50044305	24	ChEMBL_1352794 (CHEMBL3268194)	Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay
50044305	25	ChEMBL_1352777 (CHEMBL3268177)	Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding
50044305	26	ChEMBL_1352778 (CHEMBL3268178)	Antagonist activity at mu opioid receptor in guinea pig caudate assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding
50044306	1	ChEMBL_1352947 (CHEMBL3269814)	Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot analysis
50044306	2	ChEMBL_1352946 (CHEMBL3269813)	Reversible inhibition of FAAH (unknown origin)
50044306	3	ChEMBL_1352955 (CHEMBL3270174)	Competitive inhibition of rat FAAH by Lineweaver-Burk plot analysis
50044306	4	ChEMBL_1352956 (CHEMBL3270175)	Inhibition of mouse FAAH
50006922	4	ChEMBL_148907 (CHEMBL756144)	Inhibition against rat liver Oxidosqualene-lanosterol cyclase
50006922	2	ChEMBL_148888 (CHEMBL758669)	Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from Candida albicans
50044306	5	ChEMBL_1352948 (CHEMBL3269815)	Inhibition of mouse brain FAAH incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE
50044306	6	ChEMBL_1352949 (CHEMBL3269816)	Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE
50044306	7	ChEMBL_1352950 (CHEMBL3269817)	Inhibition of mouse brain MAGL incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE
50044306	8	ChEMBL_1352951 (CHEMBL3269818)	Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE
50044307	1	ChEMBL_1353117 (CHEMBL3271797)	Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia coli BL21 (Gold cells)
50044308	1	ChEMBL_1353585 (CHEMBL3270666)	Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control
50006924	6	ChEMBL_160957 (CHEMBL769119)	Inhibitory concentration against recombinant human Protein kinase C epsilon isozyme
50006924	4	ChEMBL_161873 (CHEMBL770106)	Inhibitory concentration against recombinant human cAMP-dependent Protein kinase A
50006924	9	ChEMBL_160768 (CHEMBL766309)	Inhibitory concentration against recombinant human Protein kinase C delta isozyme
50044308	2	ChEMBL_1353586 (CHEMBL3270667)	Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore
50006924	7	ChEMBL_161269 (CHEMBL767890)	Inhibitory concentration against recombinant human Protein kinase C gamma isozyme
50006924	2	ChEMBL_161461 (CHEMBL770264)	Inhibitory concentration against recombinant human Protein kinase C zeta isozyme
50044308	3	ChEMBL_1353587 (CHEMBL3270668)	Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionophore
50044308	4	ChEMBL_1353593 (CHEMBL3270674)	Inhibition of 5-LO in LPS-stimulated human neutrophils assessed as reduction in HETE formation
50044308	5	ChEMBL_1353594 (CHEMBL3270675)	Inhibition of 5-LO in fMLP-stimulated human monocytes assessed as reduction in HETE formation
50044309	1	ChEMBL_1353745 (CHEMBL3266310)	Inhibition of CYP1A2 (unknown origin)
50044309	2	ChEMBL_1353746 (CHEMBL3266311)	Inhibition of CYP2C19 (unknown origin)
50044309	3	ChEMBL_1353748 (CHEMBL3266313)	Inhibition of mu opioid receptor (unknown origin)
50044309	4	ChEMBL_1353749 (CHEMBL3266314)	Inhibition of TSPO (unknown origin)
50044310	1	ChEMBL_1353757 (CHEMBL3266322)	Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor
50044311	1	ChEMBL_1351232 (CHEMBL3271687)	Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay
50044311	2	ChEMBL_1351230 (CHEMBL3271685)	Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay
50044311	3	ChEMBL_1351231 (CHEMBL3271686)	Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay
50044311	4	ChEMBL_1351236 (CHEMBL3271691)	Antagonist activity at human LXR-beta expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporter gene assay
50044311	5	ChEMBL_1351233 (CHEMBL3271688)	Agonist activity at human LXR-alpha expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay
50044311	6	ChEMBL_1351235 (CHEMBL3271690)	Agonist activity at human LXR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay
50044311	7	ChEMBL_1351234 (CHEMBL3271689)	Antagonist activity at human LXR-alpha expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporter gene assay
50044312	1	ChEMBL_1351244 (CHEMBL3271699)	Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay in presence of 0.001% NP-40
50044312	2	ChEMBL_1351249 (CHEMBL3271704)	Inhibition of Vaccinia H1-related phosphatase (unknown origin) by fluorescence emission assay
50044313	1	ChEMBL_1351394 (CHEMBL3266970)	Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting
50044314	1	ChEMBL_1351439 (CHEMBL3267304)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis
50006927	2	ChEMBL_62399 (CHEMBL872888)	In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]spiperone displacement.
50006927	5	ChEMBL_59905 (CHEMBL671064)	Inhibition of [3H]thymidine uptake by Dopamine receptor D2
50006927	3	ChEMBL_60813 (CHEMBL674965)	In vitro binding affinity towards human recombinant Dopamine receptor D4 expressed in CHO-K1 cells was determined using [3H]spiperone as radioligand
50006927	4	ChEMBL_62298 (CHEMBL675220)	In vitro binding affinity towards human recombinant Dopamine receptor D3 receptor expressed in CHO-K1 cells was determined using [3H]spiperone as radioligand
50006928	1	ChEMBL_156187 (CHEMBL761438)	Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay
50006929	3	ChEMBL_60681 (CHEMBL675943)	Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151
50006929	2	ChEMBL_62266 (CHEMBL675668)	Binding affinity on human Dopamine receptor D3 expressed in CHO cells using radioligand [3H]-YM 09151
50006929	1	ChEMBL_60211 (CHEMBL672173)	Binding affinity on human Dopamine receptor D2 expressed in CHO cells using radioligand [3H]-YM 09151
50006929	4	ChEMBL_898 (CHEMBL615809)	Binding affinity against 5-hydroxytryptamine 1A receptor
50044314	2	ChEMBL_1351440 (CHEMBL3267305)	Antagonist activity at human 5-HT6 receptor assessed as inhibition of 5-HT-induced cAMP level treated for 10 mins prior to 5-HT challenge for 30 mins by homogeneous time-resolved fluorescent assay
50044314	3	ChEMBL_1351442 (CHEMBL3267307)	Binding affinity to 5-HT2B receptor (unknown origin)
50006931	1	ChEMBL_62790 (CHEMBL673940)	In vitro binding affinity to Dopamine transporter in rat striatal homogenates using [125I]IPT20 as the ligand
50006931	2	ChEMBL_62789 (CHEMBL673939)	In vitro binding affinity towards dopamine transporter using [125I]IPT20 as radioligand in rat striatal homogenates
50044314	4	ChEMBL_1351441 (CHEMBL3267306)	Binding affinity to 5-HT2A receptor (unknown origin)
50006932	6	ChEMBL_33527 (CHEMBL648619)	Displacement of rauwolscine from human Alpha-2C adrenergic receptor expressed in CHO cells
50006932	1	ChEMBL_33375 (CHEMBL648737)	Effective Concentration at Alpha-2B adrenergic receptor from CHO-RNG cells
50044314	5	ChEMBL_1351443 (CHEMBL3267308)	Binding affinity to 5-HT2C receptor (unknown origin)
50044315	1	ChEMBL_1351457 (CHEMBL3267322)	Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay
50044316	1	ChEMBL_1351468 (CHEMBL3267684)	Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay
50044316	2	ChEMBL_1351465 (CHEMBL3267681)	Displacement of [3H]radioligand from human orexin-1 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis
50006934	2	ChEMBL_62158 (CHEMBL676561)	In vitro inhibition of [3H]WIN-35 428 binding to dopamine transporter on rat striatal membranes.
50006934	1	ChEMBL_201667 (CHEMBL803041)	In vitro inhibition of [3H]citalopram binding to serotonin transporter on rat striatal membranes.
50044316	3	ChEMBL_1351466 (CHEMBL3267682)	Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis
50006936	10	ChEMBL_70305 (CHEMBL677852)	Inhibition of Fibrinogen Receptor integrin alphaIIb-beta3 in ELISA
50006936	13	ChEMBL_214682 (CHEMBL817645)	Inhibition of VLA-4 integrin alpha4-beta1 interaction with VCAM
50006936	9	ChEMBL_103848 (CHEMBL712966)	Inhibition of Mac-1 integrin (alphaM-beta2)
50006936	11	ChEMBL_82640 (CHEMBL693027)	Inhibition of interaction between HUVEC cells and fibronectin
50006936	14	ChEMBL_103850 (CHEMBL712968)	Inhibition of Mac-1 interaction with ICAM
50006936	15	ChEMBL_89432 (CHEMBL700478)	Inhibition of [125I]fibrinogen binding to activated human platelets
50044316	4	ChEMBL_1351467 (CHEMBL3267683)	Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay
50044317	1	ChEMBL_1351497 (CHEMBL3267713)	Inhibition of BACE1 in HEK293 cells assessed as inhibition of amyloid beta (1 to 40) production after 48 hrs by HTRF immunoassay
50044317	2	ChEMBL_1351498 (CHEMBL3267714)	Inhibition of BACE1 (unknown origin) incubated for 1 hr prior to testing measured after 1 hr by FRET assay
50044317	3	ChEMBL_1351499 (CHEMBL3267715)	Inhibition of human BACE1 using AbzSEVNLDAEFRDpa as substrate measured every 40 secs for 30 mins by fluorescence assay
50044317	4	ChEMBL_1351500 (CHEMBL3267716)	Inhibition of myc-his-tagged BACE ectodomain (1 to 454) secreted from HEK293 cells using Cy3-SEVNLDAEFK-Cy5Q-NH2 as substrate measured for 30 mins by FRET assay
50044317	6	ChEMBL_1351505 (CHEMBL3267721)	Inhibition of Fc domain of IgG1-fused human BACE (1 to 460) expressed in HEK293 cells preincubated for 10 mins followed by substrate addition measured after 15 mins by TR-FRET assay
50044317	7	ChEMBL_1351506 (CHEMBL3268101)	Inhibition of recombinant soluble human BACE1 catalytic domain using QSY7-EISEVNLDAEFC-Europium-amide as substrate preincubated for 10 mins followed by substrate addition measured after 1.5 hrs by time-resolved FRET assay
50044317	8	ChEMBL_1351634 (CHEMBL3269321)	Inhibition of recombinant human BACE1 using MBP-C125Swe as substrate by ELISA
50044317	9	ChEMBL_1351635 (CHEMBL3269322)	Inhibition of recombinant human BACE1 by 7-methoxycoumarin-4-yl-acetyl-based FRET assay
50044317	10	ChEMBL_1351636 (CHEMBL3269323)	Inhibition of BACE1 in HEK293 cells expressing APPswedish mutant assessed as inhibition of amyloid beta production by ELISA
50044317	11	ChEMBL_1351637 (CHEMBL3269324)	Inhibition of recombinant human BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by fluorescence assay
50044317	12	ChEMBL_1351638 (CHEMBL3269325)	Inhibition of BACE1 in HEK293 cells expressing APP695 assessed as inhibition of amyloid beta (1 to 40) production after 18 to 20 hrs by ELISA
50044317	13	ChEMBL_1351639 (CHEMBL3269326)	Inhibition of BACE2 in rat INS-1E cells assessed as TMEM27 cleavage preincubated for 2 hrs followed by doxycycline addition measured after 46 hrs by ELISA
50044317	14	ChEMBL_1351640 (CHEMBL3269327)	Inhibition of BACE1 in Wistar rat primary neuronal cells assessed as inhibition of production of amyloid beta (1 to 42) after 3 days by ELISA
50008191	9	ChEMBL_143890 (CHEMBL751873)	Compound was evaluated for its agonist activity against activated human recombinant Nicotinic acetylcholine receptor alpha4-beta4 in Xenopus Oocytes
50044317	15	ChEMBL_1351648 (CHEMBL3269335)	Inhibition of human BACE2 catalytic domain using QSY7-EISEVNLDAEFC-Eu-amide as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by time-resolved FRET assay
50044317	16	ChEMBL_1351649 (CHEMBL3269336)	Inhibition of Fc domain of IgG1-fused human BACE1 (1 to 460) expressed in HEK293 cells preincubated for 10 mins followed by enzyme addition measured after 16 to 24 hrs by FRET assay
50044317	17	ChEMBL_1351651 (CHEMBL3269338)	Inhibition of BACE2 (unknown origin) using Biotin-KEISEISYEVEFR-C as substrate after 3 hrs by fluorescent polarization assay
50044317	18	ChEMBL_1351652 (CHEMBL3269339)	Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using fluorescence-quenched peptide substrate derived from APP sequence preincubated for 1 hr followed by substrate addition measured every 1 min for 5 to 30 mins by spectrofluorimetric analysis
50044317	19	ChEMBL_1351647 (CHEMBL3269334)	Inhibition of recombinant soluble human BACE1 catalytic domain using QSY7-EISEVNLDAEFC-Europium-amide as substrate preincubated for 30 mins followed by substrate addition measured after 1.5 hrs by time-resolved FRET assay
50044317	20	ChEMBL_1351653 (CHEMBL3269340)	Inhibition of recombinant BACE1 (unknown origin) using APP swedish mutant as substrate containing (7-methoxycoumarin-4-yl) acetic acid/2,4-Dinitrophenyl after 120 mins by FRET assay
50006949	3	ChEMBL_617 (CHEMBL615167)	In vitro potency at human 5-hydroxytryptamine 1A receptor in inhibiting forskolin-stimulated accumulation of intracellular cAMP
50044317	21	ChEMBL_1351507 (CHEMBL3268102)	Inhibition of soluble human BACE1 (1 to 454) expressed in baculovirus infected insect Sf9 cells using EuK-KTEEISEVNLDAEFRHDKC-biotin as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs by FRET assay
50006950	2	ChEMBL_162726 (CHEMBL765030)	Inhibition of [14C]aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells
50006950	1	ChEMBL_76070 (CHEMBL880098)	Inhibition of porcine gastric H+/K+ ATPase
50006951	1	ChEMBL_63873 (CHEMBL671335)	Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand.
50006951	2	ChEMBL_63343 (CHEMBL679285)	Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]ET1 as radioligand.
50006952	2	ChEMBL_50192 (CHEMBL663485)	Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas
50006952	1	ChEMBL_48592 (CHEMBL662472)	Inhibitory concentration against radioligand [125I]CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain
50006956	3	ChEMBL_199855 (CHEMBL804919)	Inhibitory activity against E-selectin expressed in endothelial cells
50006956	2	ChEMBL_199998 (CHEMBL873251)	Inhibitory activity against Selectin L expressed in endothelial cells
50006956	1	ChEMBL_200028 (CHEMBL810717)	Inhibitory activity against Selectin P expressed in endothelial cells
50006959	2	ChEMBL_144029 (CHEMBL750444)	Bindind affinity value obtained by measuring the displacement of radioligand [125I]alpha-bungarotoxin from K-28 cells stably express human Nicotinic acetylcholine receptor alpha7
50036700	12	ChEMBL_223075 (CHEMBL842924)	Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype
50011405	2	ChEMBL_158397 (CHEMBL767061)	Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricular myocytes
50006962	2	ChEMBL_48700 (CHEMBL657993)	Inhibition of purified Cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis (precipitation at the higher concentration tested)
50006963	1	ChEMBL_76050 (CHEMBL687657)	Inhibition of purified H+/K+ ATPase at pH 7.4 as released inorganic phosphate from ATP using hog stomach gastric membrane vesicles
50006963	2	ChEMBL_76085 (CHEMBL686819)	Inhibition of H+/K+ ATPase as reduced acid formation in rabbit gastric glands
50006967	1	ChEMBL_55124 (CHEMBL665450)	Inhibitory concentration against Dihydrofolate reductase from Rat liver (rl)
50044318	1	ChEMBL_1351655 (CHEMBL3269342)	Inhibition of recombinant human p38-alpha expressed in Escherichia coli using ATF2 as substrate by radioisotope-based assay
50044318	2	ChEMBL_1351654 (CHEMBL3269341)	Inhibition of GST-fused recombinant human ALK5 expressed in baculovirus-infected insect Sf9 cells using casein as substrate by radioisotope-based assay
50006968	1	ChEMBL_54972 (CHEMBL666701)	Inhibition of Dihydrofolate Reductase of Rat Liver.
50006968	2	ChEMBL_53335 (CHEMBL664921)	Inhibition of Dihydrofolate Reductase of Toxoplasma gondii.
50006968	3	ChEMBL_52972 (CHEMBL664180)	Inhibition of Dihydrofolate Reductase of Pneumocystis carinii.
50006970	1	ChEMBL_144635 (CHEMBL752993)	Inhibition of neutral endopeptidase
50006970	2	ChEMBL_210396 (CHEMBL814126)	Inhibitory concentration required to inhibit thermolysin
50006971	2	ChEMBL_144636 (CHEMBL752994)	Inhibitory concentration required to inhibit neutral endopeptidase (NEP)
50006971	3	ChEMBL_35998 (CHEMBL644707)	Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)
50006971	1	ChEMBL_210397 (CHEMBL814127)	Inhibitory concentration required to inhibit thermolysin (TLN)
50044319	1	ChEMBL_1351942 (CHEMBL3266206)	Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis
50044320	1	ChEMBL_1351953 (CHEMBL3266217)	Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 mins assessed as biotin-GRIP1 peptide recruitment by HTRF assay
50044320	2	ChEMBL_1351955 (CHEMBL3266219)	Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 mins assessed as biotin-GRIP1 peptide recruitment by HTRF assay
50044320	3	ChEMBL_1351972 (CHEMBL3266609)	Inhibition of CYP2C9 (unknown origin)
50044320	4	ChEMBL_1351969 (CHEMBL3266606)	Inhibition of CYP3A4 (unknown origin)
50044320	5	ChEMBL_1351970 (CHEMBL3266607)	Inhibition of CYP3A5 (unknown origin)
50044320	6	ChEMBL_1351971 (CHEMBL3266608)	Inhibition of CYP2C19 (unknown origin)
50044321	1	ChEMBL_1352195 (CHEMBL3268551)	Inhibition of PKCepsilon-induced phosphorylation of Elk1 in human HeLa cells after 4 hrs by luciferase reporter gene assay
50044321	2	ChEMBL_1352186 (CHEMBL3268159)	Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control
50044322	1	ChEMBL_1351702 (CHEMBL3270102)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scintillation counting
50044322	2	ChEMBL_1351703 (CHEMBL3270103)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scintillation counting
50006978	3	ChEMBL_863 (CHEMBL615919)	In vitro inhibitory concentration against radioligand [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.
50006978	10	ChEMBL_58330 (CHEMBL671946)	In vitro inhibitory concentration against radioligand [3H]SCH-23390 binding to Dopamine receptor D1 in rat striatal membrane
50006978	6	ChEMBL_3169 (CHEMBL617814)	In vitro inhibitory concentration against radioligand [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in rat cortical membrane
50006978	5	ChEMBL_58223 (CHEMBL669951)	In vitro inhibitory concentration against radioligand [3H]spiperone binding to Dopamine receptor D2 in rat striatal membrane
50006978	4	ChEMBL_2587 (CHEMBL617455)	In vitro inhibitory concentration against radioligand [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cortical membrane
50006978	9	ChEMBL_61579 (CHEMBL675093)	In vitro inhibitory concentration against radioligand [3H]spiperone binding to Dopamine receptor D2 in rat striatal membrane
50006978	7	ChEMBL_2789 (CHEMBL617858)	In vitro inhibitory concentration against radioligand [3H]mesulergine binding to 5-hydroxytryptamine 2C receptor in pig cortical membrane
50044322	3	ChEMBL_1351704 (CHEMBL3270104)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scintillation counting
50006978	8	ChEMBL_1778 (CHEMBL616752)	In vitro inhibitory concentration against radioligand [3H]5-HT binding to 5-hydroxytryptamine 1B receptor in rat striatal membrane
50006978	1	ChEMBL_58828 (CHEMBL671913)	In vitro inhibitory concentration against radioligand [3H]SCH-23390 binding to Dopamine receptor D1 in rat striatal membrane
50044322	4	ChEMBL_1351715 (CHEMBL3270115)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells by functional assay
50044322	5	ChEMBL_1351716 (CHEMBL3270116)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells by functional assay
50044322	6	ChEMBL_1351717 (CHEMBL3270117)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells by functional assay
50044323	1	ChEMBL_1351718 (CHEMBL3270118)	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incubated for 30 mins prior to substrate addition measured for 3 mins
50044323	2	ChEMBL_1351719 (CHEMBL3270119)	Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incubated for 30 mins prior to substrate addition measured for 3 mins by Lineweaver-Burk plot analysis
50044324	1	ChEMBL_1351732 (CHEMBL3270521)	Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50044324	2	ChEMBL_1351733 (CHEMBL3270522)	Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50044324	3	ChEMBL_1351734 (CHEMBL3270523)	Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50044324	4	ChEMBL_1351735 (CHEMBL3270524)	Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50044325	1	ChEMBL_1350019 (CHEMBL3270819)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis
50044325	2	ChEMBL_1350021 (CHEMBL3270821)	Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophotometric analysis
50006986	3	ChEMBL_62921 (CHEMBL673828)	Binding affinity towards Dopamine receptor D3 by displacement of [3H](+)-7-OH-DPAT.
50006986	2	ChEMBL_61124 (CHEMBL672313)	Binding affinity towards Dopamine receptor D2 by displacement of [3H]U-86170.
50006986	1	ChEMBL_1548 (CHEMBL616370)	Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.
50044326	1	ChEMBL_1350422 (CHEMBL3269237)	Inhibition of hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method
50044326	2	ChEMBL_1350415 (CHEMBL3268869)	Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method
50044326	3	ChEMBL_1350416 (CHEMBL3268870)	Binding affinity to VX-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method
50044327	1	ChEMBL_1350428 (CHEMBL3269243)	Inhibition of PDE10A (unknown origin)
50044327	2	ChEMBL_1350429 (CHEMBL3269244)	Inhibition of full-length human recombinant PDE10A using cyclic AMP as substrate by scintillation proximity assay
50044328	1	ChEMBL_1350908 (CHEMBL3268063)	Inhibition of N-terminal GST-tagged human recombinant PDE10A assessed as substrate hydrolysis using [3H]cAMP as substrate after 30 mins by two-step radiometric assay
50044329	1	ChEMBL_1347837 (CHEMBL3266739)	Antagonist activity at androgen receptor in human LNCAP cells assessed as inhibition of androgen-stimulated cell growth measured every 3 days
50044330	1	ChEMBL_1348038 (CHEMBL3268702)	Inhibition of recombinant GGDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using FPP and [14C]IPP as substrate treated with enzyme for 10 mins prior to substrate challenge for 30 mins by liquid scintillation counting analysis
50044330	2	ChEMBL_1348039 (CHEMBL3268703)	Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using GPP and [14C]IPP as substrate treated with enzyme for 10 mins prior to substrate challenge for 30 mins by liquid scintillation counting analysis
50044331	1	ChEMBL_1348049 (CHEMBL3268713)	Inhibition of Syk in anti IgM-stimulated human Ramos cells assessed as BLNK phosphorylation by cellular assay
50044331	2	ChEMBL_1348050 (CHEMBL3268714)	Inhibition of Syk in human whole blood assessed as inhibition of P-SLP76 in CD14+ monocytes by flow cytometry
50044331	3	ChEMBL_1348051 (CHEMBL3268715)	Inhibition of human ERG by Q-patch assay
50044331	4	ChEMBL_1348044 (CHEMBL3268708)	Inhibition of Syk (unknown origin) using 4 uM peptide assessed as product formation after 60 mins incubation by microfluidic mobility shift assay
50044331	5	ChEMBL_1348045 (CHEMBL3268709)	Inhibition of Lyn (unknown origin)
50044331	6	ChEMBL_1348046 (CHEMBL3268710)	Inhibition of ZAP70 (unknown origin)
50006991	3	ChEMBL_32092 (CHEMBL643668)	Inhibitory activity against rat lens aldose reductase(AR).
50006991	1	ChEMBL_31320 (CHEMBL644873)	Inhibitory activity against rat kidney aldehyde reductase (ALR)
50044331	7	ChEMBL_1348047 (CHEMBL3268711)	Inhibition of JAK2 (unknown origin)
50044331	8	ChEMBL_1348058 (CHEMBL3268722)	Inhibition of Flt3 (unknown origin)
50044331	9	ChEMBL_1348081 (CHEMBL3269110)	Inhibition of RET (unknown origin)
50044331	10	ChEMBL_1348080 (CHEMBL3269109)	Inhibition of ALK (unknown origin)
50044332	1	ChEMBL_1348083 (CHEMBL3269112)	Inhibition of Smo receptor (unknown origin) expressed in NIH3T3 cells assessed as inhibition of Smo agonist SAG-induced GRE activation after 30 hrs by luciferase reporter gene assay
50006993	11	ChEMBL_201511 (CHEMBL882400)	Binding affinity at the serotonin transporter using [125I]RTI-55 in rat caudate membranes.
50006993	5	ChEMBL_201517 (CHEMBL807134)	Binding affinity was determined at the Serotonin transporter labeled with radioligand [125 I] RTI-55
50006993	8	ChEMBL_201738 (CHEMBL803934)	Sigma receptor binding was determined by labeling with radioligand [3H](+)-pentazocine on frozen membranes obtained from frozen guinea pig brain
50044333	1	ChEMBL_1348085 (CHEMBL3269114)	Inhibition of BuChE in equine serum using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition by Ellman's method
50044333	2	ChEMBL_1348251 (CHEMBL3271120)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by Ellman's method
50044333	3	ChEMBL_1348252 (CHEMBL3271121)	Inhibition of BuChE in human serum using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by Ellman's method
50044333	4	ChEMBL_1348084 (CHEMBL3269113)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition by Ellman's method
50006994	2	ChEMBL_207480 (CHEMBL808363)	Inhibition of thrombin-induced platelet aggregation assay at 20 uM
50044334	1	ChEMBL_1348510 (CHEMBL3267152)	Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated for 15 mins prior to RANTES addition by spectrophotometric analysis
50006994	3	ChEMBL_70371 (CHEMBL677196)	Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate; 3:1 mixture enriched in the faster eluting diastereoisomer
50006994	1	ChEMBL_70370 (CHEMBL677195)	Binding affinity for soluble GPIIb/IIIa captured on fibrinogen coated microtiter plate; 1:3 mixture enriched in the slower eluting diastereoisomer
50006995	1	ChEMBL_140856 (CHEMBL752487)	Potency for the N-methyl-D-aspartate glutamate receptor 1 glycine site by displacement of [3H]5,7-dichlorokynurenic acid (DCKA) binding in rat brain cortical membranes.
50044335	1	ChEMBL_1348518 (CHEMBL3267160)	Inhibition of PtdIns(3,4,5)P3 binding to Btk PH domain (unknown origin) expressed in Escherichia coli BL21(DE3) RIL cells by surface plasmon resonance assay relative to untreated control
50044335	2	ChEMBL_1348519 (CHEMBL3267161)	Inhibition of PtdIns(4,5)P2 binding to Epsin1 ENTH domain (unknown origin)
50044336	1	ChEMBL_1348539 (CHEMBL3267499)	Inhibition of AChE in bovine erythrocytes using acetylthiocholine iodide as substrate by Ellman's method
50006998	1	ChEMBL_140848 (CHEMBL752332)	In vitro ability to displace [3H]L-689,560 binding to glycine site on the N-methyl-D-aspartate (NMDA) glutamate receptor 1 from rat cortical membranes
50044336	2	ChEMBL_1348540 (CHEMBL3267500)	Inhibition of BuChE in equine serum using butylthiocholine iodide as substrate by Ellman's method
50007005	2	ChEMBL_3811 (CHEMBL619886)	Inhibitory activity against 5-lipoxygenase in Human whole blood (HWBL) stimulated with calcium ionophore (A23187) and LTB4 measured by enzyme immunoassay
50007005	4	ChEMBL_159895 (CHEMBL766723)	Inhibition activity against recombinant human Prostaglandin G/H synthase 2
50007005	1	ChEMBL_3962 (CHEMBL618060)	Inhibitory activity against 5-lipoxygenase catalysis (5-LO) in sonicated rat basophilic leukemia cell lysate
50044337	1	ChEMBL_1348544 (CHEMBL3267504)	Inhibition of autophosphorylation of recombinant his-tagged EGFR (amino acid 645-1186) (unknown origin) expressed in Sf-9 cells after 10 mins by time-resolved fluorometry
50044338	1	ChEMBL_1348725 (CHEMBL3269544)	Binding affinity to CB1 receptor (unknown origin)
50044339	1	ChEMBL_1348972 (CHEMBL3265619)	Inhibition of recombinant C-terminal 6xHis-tagged Grp1 PH domain (unknown origin) expressed in Escherichia coli BL21(DE3) RIL assessed as inhibition of interaction with PtdIns(3,4,5)P3 after 15 mins by SPR analysis
50044339	2	ChEMBL_1348973 (CHEMBL3265620)	Inhibition of C-terminal 6xHis-tagged epsin-1 ENTH domain (unknown origin) expressed in Escherichia coli BL21(DE3) RIL assessed as inhibition of interaction with PtdIns(4,5)P2 after 15 mins by SPR analysis
50044340	1	ChEMBL_1348974 (CHEMBL3265621)	Inhibition of human recombinant AchE using acetylthiocholine iodide as substrate incubated for 5 mins prior to substrate addition measured after 5 mins by Ellman method
50044341	1	ChEMBL_1348997 (CHEMBL3265995)	Binding affinity to mineralocorticoid receptor (unknown origin)
50044341	2	ChEMBL_1348998 (CHEMBL3265996)	Antagonist activity at mineralocorticoid receptor (unknown origin) by Gal4-based cellular assay
50044341	3	ChEMBL_1349005 (CHEMBL3266003)	Antagonist activity at progesterone receptor (unknown origin) by Gal4-based cellular assay
50044341	4	ChEMBL_1349006 (CHEMBL3266004)	Antagonist activity at glucocorticoid receptor (unknown origin) by Gal4-based cellular assay
50044341	5	ChEMBL_1349011 (CHEMBL3266009)	Binding affinity to progesterone receptor (unknown origin)
50044341	6	ChEMBL_1349012 (CHEMBL3266010)	Binding affinity to glucocorticoid receptor (unknown origin)
50044341	7	ChEMBL_1349013 (CHEMBL3266011)	Binding affinity to ER-alpha (unknown origin)
50044341	8	ChEMBL_1349007 (CHEMBL3266005)	Antagonist activity at androgen receptor (unknown origin) by Gal4-based cellular assay
50044342	1	ChEMBL_1349151 (CHEMBL3267548)	Inhibition of CDK9/CycT1 (unknown origin) using TAMRA-Rbtide and ATP as substrate after 1 hr
50044342	2	ChEMBL_1349148 (CHEMBL3267545)	Inhibition of CDK9/CycT1 (unknown origin)
50044342	3	ChEMBL_1349149 (CHEMBL3267546)	Inhibition of CDK9/CycT1 (unknown origin) expressed in HEK293 cells using GST-CTDII as substrate
50044342	4	ChEMBL_1349150 (CHEMBL3267547)	Inhibition of CDK9/CycT1 (unknown origin) using MBP peptide substrate after 1 hr by FRET-based LANCE assay
50044343	1	ChEMBL_1349194 (CHEMBL3267968)	Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3) after 16 hrs
50044344	1	ChEMBL_1349201 (CHEMBL3267975)	Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by reverse-phase HPLC analysis
50044345	1	ChEMBL_1349359 (CHEMBL3269582)	Inhibition of rat seminal vesicle COX-1 using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substrate addition measured after 25 secs by chromogenic assay
50044345	2	ChEMBL_1349360 (CHEMBL3269583)	Inhibition of human recombinant COX-2 expressed in insect cell system using arachidonic acid as substrate assessed as reduction of PGG2 to PGH2 incubated for 1 min prior to substrate addition measured after 25 secs by chromogenic assay
50044346	1	ChEMBL_1349362 (CHEMBL3269585)	Inhibition of HSP90 (unknown origin) by luciferase refolding assay
50044347	1	ChEMBL_1349367 (CHEMBL3269590)	Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins
50044347	2	ChEMBL_1349366 (CHEMBL3269589)	Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins
50044347	3	ChEMBL_1349364 (CHEMBL3269587)	Binding affinity to human histamine H3 receptor
50044347	4	ChEMBL_1349365 (CHEMBL3269588)	Binding affinity to rat histamine H3 receptor
50044348	1	ChEMBL_1349387 (CHEMBL3269977)	Inhibition of human estrogen receptor beta
50044348	2	ChEMBL_1349388 (CHEMBL3269978)	Inhibition of human glucocorticoid receptor
50044348	3	ChEMBL_1349389 (CHEMBL3269979)	Inhibition of human thyroid hormone receptor-beta
50044348	4	ChEMBL_1349381 (CHEMBL3269971)	Antagonist activity at GST-tagged PPAR-alpha (unknown origin) assessed as inhibition of GW7647-induced effect after 2 hrs by TR-FRET assay
50044348	5	ChEMBL_1349385 (CHEMBL3269975)	Inhibition of human PPAR-delta
50044348	6	ChEMBL_1349386 (CHEMBL3269976)	Inhibition of human PPAR-gamma
50044348	7	ChEMBL_1349372 (CHEMBL3269595)	Agonist activity at human PPAR-alpha
50044348	8	ChEMBL_1349373 (CHEMBL3269596)	Antagonist activity at human PPAR-alpha
50044349	1	ChEMBL_1349395 (CHEMBL3269985)	Inhibition of human recombinant MAO-A expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-tyramine as substrate preincubated for 15 mins by Amplex Red reagent based fluorimetric method
50044349	2	ChEMBL_1349396 (CHEMBL3269986)	Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-tyramine as substrate preincubated for 15 mins by Amplex Red reagent based fluorimetric method
50044350	1	ChEMBL_1349400 (CHEMBL3269990)	Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay
50044350	2	ChEMBL_1349401 (CHEMBL3269991)	Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay
50044351	1	ChEMBL_1349566 (CHEMBL3265635)	Inhibition of human recombinant puritin-His-tagged IRE-1 RNase expressed in SF21 cells using XBP-1 RNA stem loop as substrate incubated for 30 mins prior to substrate addition measured after 2 hrs by FRET-suppression assay
50044352	1	ChEMBL_1349702 (CHEMBL3266886)	Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50044352	2	ChEMBL_1349703 (CHEMBL3266887)	Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal biotin-labeled BIM BH3 peptide interaction after 30 mins by surface plasmon resonance analysis
50007023	5	ChEMBL_159741 (CHEMBL762905)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE2 production('+' indicates 90-110% inhibition)
50007023	2	ChEMBL_159901 (CHEMBL768683)	Inhibition of human Prostaglandin G/H synthase 2 at 10 ug/mL expressed as the mean percent inhibition of control PGE-2 production
50007023	6	ChEMBL_159740 (CHEMBL762904)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production (''++'' indicates 80-90% inhibition)
50007023	7	ChEMBL_159739 (CHEMBL762903)	Concentration of drug that causes a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production
50044352	3	ChEMBL_1349699 (CHEMBL3266883)	Displacement of Flu-BID/FAM-BID from His-tagged A1-BFL-1 (1 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50044352	4	ChEMBL_1349704 (CHEMBL3266888)	Displacement of Flu-BID/FAM-BID from His-tagged BCL2 (1 to 202) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50007024	5	ChEMBL_149157 (CHEMBL757700)	The binding affinity was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain
50007024	1	ChEMBL_145846 (CHEMBL756110)	The binding affinity was measured using [3H]- U-69593 against Opioid receptor kappa 1 of rat brain
50044352	5	ChEMBL_1349705 (CHEMBL3266889)	Displacement of Flu-BID/FAM-BID from His-tagged BCLW (1 to 155) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50044352	6	ChEMBL_1349706 (CHEMBL3266890)	Displacement of Flu-BID/FAM-BID from His-tagged BCLX-L (1 to 209) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50007028	1	ChEMBL_104543 (CHEMBL718930)	Inhibition of gelatinase A (Matrix metalloprotease-2)
50007028	2	ChEMBL_104738 (CHEMBL710738)	Inhibition of human stromelysin-1 (Matrix metalloprotease-3)
50044352	7	ChEMBL_1349700 (CHEMBL3266884)	Inhibition of FITC-labeled MCL1 (unknown origin) after 5 mins by fluorescence polarization assay
50044353	1	ChEMBL_1350234 (CHEMBL3266916)	Inhibition of porcine pancreatic lipase assessed as hydrolysis of p-NPB to p-nitrophenol by microplate reader
50044354	1	ChEMBL_1350239 (CHEMBL3266921)	Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization assay
50007031	3	ChEMBL_63527 (CHEMBL677440)	Binding affinity against human cloned Endothelin B receptor expressed in CHO-K1 cells
50007031	5	ChEMBL_63691 (CHEMBL871935)	Inhibition of Endothelin B receptor mediated (ET-3) release of arachidonic acid from human cloned receptors expressed in CHO-K1 cells
50007031	2	ChEMBL_63194 (CHEMBL679797)	Inhibition of Endothelin A receptor mediated (ET-1) release of arachidonic acid from rabbit renal artery vascular smooth muscle cells
50044355	1	ChEMBL_1350257 (CHEMBL3267240)	Agonist activity at human GPR119 overexpressed in CHO cells assessed as stimulation of cAMP production by HTRF assay
50044355	2	ChEMBL_1350259 (CHEMBL3267242)	Agonist activity at mouse GPR119 overexpressed in CHO cells assessed as stimulation of cAMP production by HTRF assay
50044355	3	ChEMBL_1350261 (CHEMBL3267244)	Agonist activity at GPR119 in mouse GLUTag cells assessed as stimulation of GLP1 secretion by CRE-luciferase reporter gene assay
50044356	1	ChEMBL_1350279 (CHEMBL3267262)	Binding affinity to IFNAR (unknown origin) assessed as inhibition of interaction with IFN-alpha
50044356	2	ChEMBL_1350280 (CHEMBL3267618)	Displacement of fluorescent P4 peptide from recombinant human MDM2 (18 to 125) expressed in Escherichia coli BL21(DE3) RIL expression system after 30 mins by fluorescence polarization assay
50044356	3	ChEMBL_1350281 (CHEMBL3267619)	Displacement of fluorescent P4 peptide from MDM2 (unknown origin) by fluorescence polarization assay
50044356	4	ChEMBL_1350282 (CHEMBL3267620)	Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53
50044356	5	ChEMBL_1350284 (CHEMBL3267622)	Displacement of FAM-DEALAHyp-YIPD from 6xHis-tagged VHL (1 to 213)/elongins-B/elonginC (unknown origin) expressed in Escherichia coli BL21 after 1 min by fluorescence polarization assay
50044356	6	ChEMBL_1350285 (CHEMBL3267623)	Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by isothermal titration calorimetric analysis
50044356	7	ChEMBL_1350286 (CHEMBL3267624)	Displacement of FAM-DEALAHyp-YIPD from VHL/elongins-B/elonginC (unknown origin) by fluorescence polarization assay
50044356	8	ChEMBL_1350287 (CHEMBL3267625)	Inhibition of beta-catenin/T cell factor (unknown origin)
50044356	9	ChEMBL_1350283 (CHEMBL3267621)	Competitive binding affinity to human beta-catenin (142 to 686) assessed as inhibition of C-terminally fluorescein-labeled Tcf4 interaction after 3 hrs by fluorescence polarization assay
50044357	1	ChEMBL_1350288 (CHEMBL3267626)	Inhibition of Enterococcus faecium VanX expressed in Escherichia coli BL21 (DE3) cells using D-alanyl-alpha-R-phenylthioglycine as substrate by colorimetric assay
50044358	1	ChEMBL_1350483 (CHEMBL3269667)	Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay
50044358	2	ChEMBL_1350482 (CHEMBL3269666)	Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay
50007037	2	ChEMBL_65261 (CHEMBL673952)	Inhibition of human erbB-2 receptor tyrosine kinase
50007037	4	ChEMBL_65251 (CHEMBL673785)	Rate constant for inactivation of erbB-1 receptor of A431 human epidermoid carcinoma cells
50044359	1	ChEMBL_1350501 (CHEMBL3270056)	Inhibition of human Cav1.3 channel in human SH-SY5Y cells assessed as 70 mM K+ induced calcium elevation compound treated 15 mins before stimulus by Fluo-4/AM assay
50007037	3	ChEMBL_65249 (CHEMBL673783)	Inhibition of erbB-1 receptor tyrosine kinase from A431 human epidermoid carcinoma cells
50007039	1	ChEMBL_123607 (CHEMBL734187)	Inhibition constant was evaluated against mitochondrial Monoamine oxidase B
50007040	1	ChEMBL_49714 (CHEMBL661791)	Displacement of [125I]- BH-CCK-8 from Cholecystokinin type A receptor of guinea pig pancreas
50007040	2	ChEMBL_47809 (CHEMBL660023)	Inhibitory activity against Cholecystokinin type B receptor using [125I]- BH-CCK-8 as radioligand in cortex tissue of guinea pig
50044359	2	ChEMBL_1350502 (CHEMBL3270057)	Inhibition of rat Cav1.2 channel in rat mesenteric artery assessed as relaxation of 70 mM K+ induced contraction
50044360	1	ChEMBL_1350711 (CHEMBL3265735)	Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay
50044360	2	ChEMBL_1350715 (CHEMBL3265739)	Binding affinity to wild type DDR2 (unknown origin) by FLiK assay
50044360	3	ChEMBL_1350716 (CHEMBL3266101)	Inhibition of DDR1 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP
50044360	4	ChEMBL_1350717 (CHEMBL3266102)	Inhibition of DDR2 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP
50044360	5	ChEMBL_1350709 (CHEMBL3265733)	Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay
50007044	2	ChEMBL_3870 (CHEMBL882928)	Inhibitory concentration against 5-lipoxygenase from isolated rabbit granulocytes
50044360	6	ChEMBL_1350710 (CHEMBL3265734)	Binding affinity to human DDR2 by Ambit assay
50044360	7	ChEMBL_1350707 (CHEMBL3265731)	Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by fluorescence spectroscopy
50044361	1	ChEMBL_1350718 (CHEMBL3266103)	Agonist activity at human GPR119 expressed in HEK293 cells co-expressing Flp-In-T-Rex assessed as cAMP accumulation after 60 mins
50044362	1	ChEMBL_1350727 (CHEMBL3266112)	Inhibition of MEK1 (unknown origin)
50044362	2	ChEMBL_1350728 (CHEMBL3266113)	Inhibition of MEK1 in human COLO205 cells
50044362	3	ChEMBL_1350729 (CHEMBL3266114)	Inhibition of MEK1 in human HCT116 cells
50044362	4	ChEMBL_1350730 (CHEMBL3266115)	Inhibition of MEK1 in human A549 cells
50044363	1	ChEMBL_1350746 (CHEMBL3266131)	Binding affinity to human glucocorticoid receptor by fluorescence polarization assay
50044363	2	ChEMBL_1350747 (CHEMBL3266132)	Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay
50044363	3	ChEMBL_1350751 (CHEMBL3266136)	Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release
50044363	4	ChEMBL_1350939 (CHEMBL3268094)	Inhibition of CYP2C9 (unknown origin)
50044363	5	ChEMBL_1350935 (CHEMBL3268090)	Inhibition of CYP2D6 (unknown origin)
50044363	6	ChEMBL_1350936 (CHEMBL3268091)	Inhibition of CYP1A2 (unknown origin)
50044363	7	ChEMBL_1350937 (CHEMBL3268092)	Inhibition of CYP2C19 (unknown origin)
50044363	8	ChEMBL_1350938 (CHEMBL3268093)	Inhibition of CYP3A4 (unknown origin)
50044363	9	ChEMBL_1350756 (CHEMBL3266141)	Binding affinity to progesterone receptor (unknown origin)
50044363	10	ChEMBL_1350754 (CHEMBL3266139)	Agonist activity at glucocorticoid receptor in rat PBMC assessed as inhibition of LPS-stimulated TNF-alpha release
50044363	11	ChEMBL_1350755 (CHEMBL3266140)	Binding affinity to mineralocorticoid receptor (unknown origin)
50044363	12	ChEMBL_1350927 (CHEMBL3268082)	Binding affinity to ER-alpha (unknown origin)
50044363	13	ChEMBL_1350928 (CHEMBL3268083)	Binding affinity to ER-beta (unknown origin)
50044363	14	ChEMBL_1350757 (CHEMBL3266142)	Binding affinity to androgen receptor (unknown origin)
50007050	1	ChEMBL_206006 (CHEMBL840569)	Cytotoxicity in T79-A3 (NR-positive) cell lines
50044364	1	ChEMBL_1350968 (CHEMBL3268497)	Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay
50044364	2	ChEMBL_1350971 (CHEMBL3268500)	Agonist activity at human 5-HT3A receptor expressed in HEK293 cells in presence of carbachol
50044364	3	ChEMBL_1350972 (CHEMBL3268501)	Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol
50044364	4	ChEMBL_1350973 (CHEMBL3268502)	Inhibition of CYP1A2 (unknown origin)
50044364	5	ChEMBL_1350974 (CHEMBL3268503)	Inhibition of CYP2B6 (unknown origin)
50044364	6	ChEMBL_1350975 (CHEMBL3268874)	Inhibition of CYP2C9 (unknown origin)
50044364	7	ChEMBL_1350976 (CHEMBL3268875)	Inhibition of CYP2C19 (unknown origin)
50044364	8	ChEMBL_1350977 (CHEMBL3268876)	Inhibition of CYP2D6 (unknown origin)
50044364	9	ChEMBL_1350978 (CHEMBL3268877)	Inhibition of CYP3A4 (unknown origin)
50044365	1	ChEMBL_1350983 (CHEMBL3268882)	Inhibition of pig kidney microsomal APN using L-Leu-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 30 mins by spectrophotometry
50044365	2	ChEMBL_1347847 (CHEMBL3266749)	Inhibition of MMP2 in human SKOV3 cell suspension using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins by spectrophotometry
50044365	3	ChEMBL_1350982 (CHEMBL3268881)	Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins by spectrophotometry
50044366	1	ChEMBL_1347848 (CHEMBL3266750)	Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expressing with Calphaq16 assessed as calcium mobilization
50044367	1	ChEMBL_1347854 (CHEMBL3266756)	Inhibition of purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay
50007053	10	ChEMBL_160456 (CHEMBL761753)	Displacement of [3H]- PDBu from recombinant PKC beta expressed in baculovirus
50007053	9	ChEMBL_161102 (CHEMBL771562)	Displacement of [3H]- PDBu from recombinant PKC epsilon expressed in baculovirus
50007053	1	ChEMBL_162089 (CHEMBL767782)	Inhibition of [3H]PDBu binding to PKC delta wild type
50007053	4	ChEMBL_161290 (CHEMBL772098)	Displacement of [3H]- PDBu from recombinant PKC gamma expressed in baculovirus
50044367	2	ChEMBL_1347855 (CHEMBL3266757)	Inhibition of purified mouse iNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay
50007056	2	ChEMBL_159768 (CHEMBL763093)	In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)
50044367	3	ChEMBL_1347856 (CHEMBL3266758)	Inhibition of purified bovine eNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay
50044367	4	ChEMBL_1347859 (CHEMBL3266761)	Inhibition of human nNOS
50044368	1	ChEMBL_1347862 (CHEMBL3266764)	Inhibition of rat recombinant PDE10A expressed in baculovirus infected Sf9 cells using [3H]cAMP as substrate after 60 mins by TopCount scintillation counting analysis
50044368	2	ChEMBL_1347863 (CHEMBL3266765)	Inhibition of PDE1B (unknown origin)
50044368	3	ChEMBL_1347864 (CHEMBL3266766)	Inhibition of PDE3A (unknown origin)
50044368	4	ChEMBL_1347865 (CHEMBL3266767)	Inhibition of PDE5A (unknown origin)
50044368	5	ChEMBL_1347866 (CHEMBL3266768)	Inhibition of PDE6A (unknown origin)
50044368	6	ChEMBL_1347877 (CHEMBL3267113)	Inhibition of CYP3A4 (unknown origin)
50044368	7	ChEMBL_1347878 (CHEMBL3267114)	Inhibition of CYP2C9 (unknown origin)
50044368	8	ChEMBL_1347879 (CHEMBL3267115)	Inhibition of CYP2D6 (unknown origin)
50044368	9	ChEMBL_1347880 (CHEMBL3267116)	Inhibition of CYP1A2 (unknown origin)
50044368	10	ChEMBL_1347881 (CHEMBL3267117)	Inhibition of human ERG
50044369	1	ChEMBL_1347886 (CHEMBL3267122)	Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method
50044369	2	ChEMBL_1347887 (CHEMBL3267123)	Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method
50044369	3	ChEMBL_1347892 (CHEMBL3267128)	Inhibition of Syrian hamster NAT2 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method
50044370	1	ChEMBL_1347904 (CHEMBL3267140)	Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate liquid scintillation counting analysis
50044370	2	ChEMBL_1347896 (CHEMBL3267132)	Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis
50044370	3	ChEMBL_1348092 (CHEMBL3269121)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells
50044370	4	ChEMBL_1347895 (CHEMBL3267131)	Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis
50044370	5	ChEMBL_1347894 (CHEMBL3267130)	Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis
50044370	6	ChEMBL_1347903 (CHEMBL3267139)	Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate liquid scintillation counting analysis
50044370	7	ChEMBL_1347893 (CHEMBL3267129)	Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis
50044370	8	ChEMBL_1348087 (CHEMBL3269116)	Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate liquid scintillation counting analysis
50044370	9	ChEMBL_1347897 (CHEMBL3267133)	Displacement of [3H]-DAMGO from mu opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counting analysis
50044370	10	ChEMBL_1348091 (CHEMBL3269120)	Displacement of [3H]diprenorphine from recombinant human kappa opioid receptor expressed in CHO cells
50044370	11	ChEMBL_1347898 (CHEMBL3267134)	Displacement of [3H]-U69,593 from kappa opioid receptor in Hartley guinea pig brain membranes after 60 mins by beta-plate liquid scintillation counting analysis
50022835	2	ChEMBL_563683 (CHEMBL964244)	Inhibition of FGFR1K autophosphorylation activity assessed as [32P] incorporation
50022835	1	ChEMBL_563684 (CHEMBL964245)	Inhibition of acidic FGF-stimulated FGFR1 tyrosine autophosphorylation in mouse NIH/3T3 cells by immunoblotting
50044370	12	ChEMBL_1348094 (CHEMBL3269123)	Displacement of [3H]-N/OFQ from recombinant nociceptin opioid receptor (unknown origin) expressed in HEK cells
50044370	13	ChEMBL_1348090 (CHEMBL3269119)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells
50044371	1	ChEMBL_1349423 (CHEMBL3270013)	Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis
50044371	2	ChEMBL_1349441 (CHEMBL3270392)	Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells after 30 mins by radioligand displacement assay
50044371	3	ChEMBL_1349429 (CHEMBL3270380)	Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation
50044372	1	ChEMBL_1349453 (CHEMBL3270404)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA
50044372	2	ChEMBL_1349454 (CHEMBL3270405)	Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 5 mins by EIA
50044373	1	ChEMBL_1349599 (CHEMBL3266023)	Inhibition of HDAC5 (unknown origin) by fluorescence assay
50044373	2	ChEMBL_1349600 (CHEMBL3266024)	Inhibition of HDAC7 (unknown origin) by fluorescence assay
50044373	3	ChEMBL_1349601 (CHEMBL3266025)	Inhibition of HDAC8 (unknown origin) by fluorescence assay
50044373	4	ChEMBL_1349602 (CHEMBL3266026)	Inhibition of HDAC9 (unknown origin) by fluorescence assay
50044373	5	ChEMBL_1349603 (CHEMBL3266027)	Inhibition of HDAC10 (unknown origin) by fluorescence assay
50044373	6	ChEMBL_1349594 (CHEMBL3265663)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay
50044373	7	ChEMBL_1349595 (CHEMBL3265664)	Inhibition of HDAC2 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay
50044373	8	ChEMBL_1349596 (CHEMBL3265665)	Inhibition of HDAC6 (unknown origin) using RHKK(Ac) (379 to 382) p53 peptide as substrate by fluorescence assay
50044374	1	ChEMBL_1349633 (CHEMBL3266057)	Inhibition of chymotrypsin-like enzyme activity of purified human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence method
50044375	1	ChEMBL_1349750 (CHEMBL3267582)	Displacement of histone peptide from His-tagged BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) by alpha-screen assay
50044376	1	ChEMBL_1349759 (CHEMBL3267591)	Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis
50007075	8	ChEMBL_155254 (CHEMBL764407)	Inhibitory activity against human serine protease (plasmin) (3.0*10e6)
50007075	7	ChEMBL_212865 (CHEMBL817815)	Inhibitory activity against human serine protease (Trypsin)(2143*)
50007075	1	ChEMBL_208241 (CHEMBL815719)	Inhibitory activity against human serine protease (TPA) (2.5*10e6*)
50007075	6	ChEMBL_208501 (CHEMBL811976)	Inhibitory activity against human thrombin
50007075	3	ChEMBL_212861 (CHEMBL817813)	Inhibitory activity against human trypsin
50007075	4	ChEMBL_92239 (CHEMBL703584)	Inhibitory activity against human serine protease (plasma Kallikrein) (89000*)
50007075	5	ChEMBL_48818 (CHEMBL661219)	Inhibitory activity against human serine protease Coagulation factor X (1.7*10e6*)
50044376	2	ChEMBL_1349760 (CHEMBL3267592)	Inhibition of ITK in human Jurkat cells assessed as decrease in phosphorylation of PLC-gamma1 by immunodetection assay
50044377	1	ChEMBL_1349774 (CHEMBL3267606)	Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis
50044377	2	ChEMBL_1349775 (CHEMBL3267607)	Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation by FLIPR assay
50044378	1	ChEMBL_1349805 (CHEMBL3268006)	Inhibition of human neprilysin by fluorometric analysis
50044379	1	ChEMBL_1349809 (CHEMBL3268010)	Inhibition of human recombinant his-tagged pontin expressed in Escherichia coli BL21 assessed as reduction in inorganic phosphate release after 10 mins by malachite green-based colorimetric assay
50044380	1	ChEMBL_1349952 (CHEMBL3269633)	Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by microscopic analysis in presence of FGF2
50044381	1	ChEMBL_1350312 (CHEMBL3268033)	Stimulation of ATPase activity of ABCB1 (unknown origin) expressed in High Five insect cell membrane assessed as ATP hydrolysis
50044381	2	ChEMBL_1350116 (CHEMBL3265680)	Inhibition of human P-gp
50044381	3	ChEMBL_1350113 (CHEMBL3265677)	Inhibition of human wild type P-gp expressed in BacMam virus infected human HeLa cells assessed as calcein-AM accumulation after 10 mins by flow cytometry
50044381	4	ChEMBL_1350308 (CHEMBL3268029)	Displacement of [125I]IAPP from ABCB1 (unknown origin) expressed in High Five insect cell membrane at >5 uM preincubated for 10 mins by autoradiography
50044382	1	ChEMBL_1350541 (CHEMBL3270465)	Inhibition of PI3K beta (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	2	ChEMBL_1350542 (CHEMBL3270466)	Inhibition of VEGFR2 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	3	ChEMBL_1350543 (CHEMBL3270467)	Inhibition of PDGFR-beta (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	4	ChEMBL_1350544 (CHEMBL3270468)	Inhibition of FGFR1 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	5	ChEMBL_1350545 (CHEMBL3270469)	Inhibition of EGFR (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	6	ChEMBL_1350547 (CHEMBL3270471)	Inhibition of IGF-1R (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	7	ChEMBL_1350548 (CHEMBL3270472)	Inhibition of B-Raf (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	8	ChEMBL_1350550 (CHEMBL3270474)	Inhibition of C-Raf (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	9	ChEMBL_1350551 (CHEMBL3270475)	Inhibition of FLT3 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	10	ChEMBL_1350552 (CHEMBL3270476)	Inhibition of MET (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	11	ChEMBL_1350553 (CHEMBL3270477)	Inhibition of Kit (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	12	ChEMBL_1350554 (CHEMBL3270478)	Displacement of [3H]astemizole from human ERG after 60 mins by competitive binding assay
50044382	13	ChEMBL_1350533 (CHEMBL3270457)	Inhibition of Nek2 (unknown origin)
50044382	14	ChEMBL_1350535 (CHEMBL3270459)	Inhibition of CHK1 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	15	ChEMBL_1350534 (CHEMBL3270458)	Inhibition of CHK2 (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	16	ChEMBL_1350536 (CHEMBL3270460)	Inhibition of Cdk1/cyclin B (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	17	ChEMBL_1350537 (CHEMBL3270461)	Inhibition of aurora A (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	18	ChEMBL_1350538 (CHEMBL3270462)	Inhibition of aurora B (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	19	ChEMBL_1350539 (CHEMBL3270463)	Inhibition of mTOR (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044382	20	ChEMBL_1350540 (CHEMBL3270464)	Inhibition of PI3K alpha (unknown origin) assessed as [33P] incorporation in substrate by TopCount microplate scintillation counting analysis
50044383	1	ChEMBL_1350557 (CHEMBL3270848)	Transactivation of human VDR expressed in HEK293 cells cotransfected with mouse VDRE, Tk-Sppx3-LUC reporter plasmid measured after 24 hrs by luciferase reporter assay
50044383	2	ChEMBL_1350556 (CHEMBL3270480)	Displacement of [3H]-1,25(OH)2D3 from GST-fused human VDR-LBD expressed in Escherichia coli BL21
50044383	3	ChEMBL_1350561 (CHEMBL3270852)	Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-RXRalpha and 4-tk-LUC assessed as heterodimerization with RXRalpha by mammalian two-hybrid assay
50044383	4	ChEMBL_1350562 (CHEMBL3270853)	Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-SRC1 and 4-tk-LUC assessed as SRC1 interaction with AF2 surface of VDR by mammalian two-hybrid assay
50044383	5	ChEMBL_1350563 (CHEMBL3270854)	Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-N-CoR and 4-tk-LUC assessed as inhibition of N-CoR binding to VDR by mammalian two-hybrid assay
50044383	6	ChEMBL_1350555 (CHEMBL3270479)	Activation of human VDR expressed in HEK293 cells cotransfected CMX-GAL4-NCoR2 and 4-tk-LUC assessed as inhibition of NCoR2 binding to VDR by mammalian two-hybrid assay
50044384	1	ChEMBL_1351033 (CHEMBL3269286)	Inhibition of PIM1 kinase (unknown origin) using 5-FAM-labeled BAD peptide as substrate after 90 mins by fluorescence polarization assay
50044384	2	ChEMBL_1351034 (CHEMBL3269287)	Inhibition of PIM2 kinase (unknown origin) using 5-FAM-labeled BAD peptide as substrate after 90 mins by fluorescence polarization assay
50044384	3	ChEMBL_1351035 (CHEMBL3269288)	Inhibition of PIM3 kinase (unknown origin) using 5-FAM-labeled BAD peptide as substrate after 90 mins by fluorescence polarization assay
50044385	1	ChEMBL_1347909 (CHEMBL3267446)	Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate
50007081	3	ChEMBL_159748 (CHEMBL762912)	In vitro inhibitory activity against human prostaglandin G/H synthase 2
50044386	1	ChEMBL_1347922 (CHEMBL3267459)	Inhibition of rat testicular microsome CYP17 hydroxylase activity by HPLC/MS/MS method
50044386	2	ChEMBL_1347923 (CHEMBL3267460)	Inhibition of rat testicular microsome CYP17 lyase activity using 17alpha-hydroxypregnenolone as substrate by HPLC/MS/MS method
50044386	3	ChEMBL_1347924 (CHEMBL3267461)	Inhibition of human hepatocyte microsome CYP3A4 using testosterone as substrate by HPLC/MS/MS method
50044386	4	ChEMBL_1347926 (CHEMBL3267463)	Inhibition of human recombinant CYP17 lyase activity using 17alpha-hydroxypregnenolone as substrate by HPLC/MS/MS method
50007082	1	ChEMBL_159742 (CHEMBL762906)	Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50%
50044386	5	ChEMBL_1347927 (CHEMBL3267464)	Inhibition of human recombinant CYP17 hydroxylase activity by HPLC/MS/MS method
50044387	1	ChEMBL_1348162 (CHEMBL3269921)	Inhibition of GW4064-induced transactivation of FXR (unknown origin) expressed in HEK293T cells after 16 hrs by beta-lactamase reporter gene assay
50044387	2	ChEMBL_1348160 (CHEMBL3269919)	Antagonist activity at human GST-tagged FXR after 20 mins by TR-FRET assay
50044388	1	ChEMBL_1348181 (CHEMBL3270296)	Inhibition of full length Syk (unknown origin) using biotinylated peptide substrate
50044388	2	ChEMBL_1348182 (CHEMBL3270297)	Inhibition of Syk in antihuman IgM-stimulated human Ramos cells assessed as decrease in BCR-mediated BLNK phosphorylation by cellular assay
50044388	3	ChEMBL_1348392 (CHEMBL3265945)	In vitro inhibition of Syk phosphorylation in rat whole blood
50044388	4	ChEMBL_1348184 (CHEMBL3270299)	Binding affinity to Syk (unknown origin)
50044388	5	ChEMBL_1348183 (CHEMBL3270298)	Inhibition of Syk in goat antihuman IgE-induced CD63 expression in human whole blood by FACS analysis
50044388	6	ChEMBL_1348200 (CHEMBL3270315)	Inhibition of Jak2 in erythropoietin-stimulated human TF1 cells assessed as assessed as phospho-Stat5 after 1 hr incubation
50044388	7	ChEMBL_1348201 (CHEMBL3270316)	Inhibition of cKit in stem cell factor-stimulated bone marrow derived mouse mast cells assessed as phosphorylation after 1 hr incubation
50044388	8	ChEMBL_1348202 (CHEMBL3270317)	Inhibition of Flt3 in human MV411 cells assessed as assessed as proliferation after 72 hrs incubation by spectrophotometry
50044388	9	ChEMBL_1348203 (CHEMBL3270318)	Inhibition of Ret in human SK-M-MC cells assessed as assessed as phosphorylation after 1 hr incubation
50044388	10	ChEMBL_1348204 (CHEMBL3270319)	Inhibition of KDR in VEGF-stimulated HUVEC assessed as phosphorylation after 1 hr incubation
50044388	11	ChEMBL_1348205 (CHEMBL3270320)	Inhibition of Syk in alphaIgM-stimulated human B cells assessed as CD86 expression after 1 hr incubation by flow cytometry
50044388	12	ChEMBL_1348372 (CHEMBL3265576)	Inhibition of Syk in alphaIgM-stimulated human B cells assessed as cell proliferation after 1 hr incubation by flow cytometry
50044388	13	ChEMBL_1348373 (CHEMBL3265577)	Inhibition of Syk in immune complex-stimulated human monocyte assessed as TNFalpha production after 1 hr incubation
50044388	14	ChEMBL_1348374 (CHEMBL3265578)	Inhibition of CYP1A2 (unknown origin)
50044388	15	ChEMBL_1348375 (CHEMBL3265579)	Inhibition of CYP2C9 (unknown origin)
50044388	16	ChEMBL_1348376 (CHEMBL3265580)	Inhibition of CYP2C19 (unknown origin)
50044388	17	ChEMBL_1348377 (CHEMBL3265581)	Inhibition of CYP2D6 (unknown origin)
50044388	18	ChEMBL_1348378 (CHEMBL3265582)	Inhibition of CYP3A4 (unknown origin)
50007084	5	ChEMBL_61132 (CHEMBL670745)	In vitro binding affinity for Dopamine receptor D2
50007084	1	ChEMBL_202076 (CHEMBL811508)	In vitro for binding affinity at sigma-1 receptor by measuring its ability to displace [3H](+)-pentazocine from guinea pig membranes
50007084	4	ChEMBL_201906 (CHEMBL808197)	Receptor binding affinity against Sigma receptor
50044389	1	ChEMBL_1348403 (CHEMBL3265956)	Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells
50007084	2	ChEMBL_202073 (CHEMBL811505)	Receptor binding affinity against Sigma-1 receptor from guinea pig membranes
50044390	1	ChEMBL_1348406 (CHEMBL3265959)	Inhibition of BACE1 (unknown origin)
50044390	3	ChEMBL_1348413 (CHEMBL3265966)	Inhibition of CYP2D6 (unknown origin)
50044391	1	ChEMBL_1348615 (CHEMBL3268326)	Binding affinity to biotinylated human FAK FAT domain by biolayer interoferometry
50044392	1	ChEMBL_1348631 (CHEMBL3268342)	Inhibition of human recombinant COX2 after 2 mins by EIA
50044392	2	ChEMBL_1348630 (CHEMBL3268341)	Inhibition of ovine COX1 after 2 mins by EIA
50007086	2	ChEMBL_63685 (CHEMBL670643)	In vitro inhibition of endothelin binding to human Endothelin B receptor using [125I]-labeled ET-1 competition assay
50007086	1	ChEMBL_65483 (CHEMBL682358)	In vitro inhibition of endothelin binding to human Endothelin A receptor using [125I]-labeled ET-1 competition assay
50007087	5	ChEMBL_63686 (CHEMBL670644)	In vitro inhibition of endothelin binding to human Endothelin B receptor using [125I]-labeled ET-1 competition assay
50007087	4	ChEMBL_65641 (CHEMBL681523)	Binding affinity against human Endothelin A receptor
50007087	2	ChEMBL_63687 (CHEMBL878153)	In vitro inhibitory activity against human Endothelin B receptor using radioligand binding assay.
50007087	1	ChEMBL_65485 (CHEMBL682360)	In vitro inhibitory activity against human Endothelin A receptor using radioligand binding assay.
50007090	1	ChEMBL_37053 (CHEMBL652442)	Binding affinity constant for Benzodiazepine receptor in normal rat brain homogenate
50044393	1	ChEMBL_1348878 (CHEMBL3271147)	Inhibition of aldose reductase in rat lens by spectrophotometer analysis
50044394	1	ChEMBL_1348900 (CHEMBL3271169)	Inhibition of BChE (unknown origin) using BCh iodide as substrate preincubated for 15 mins prior to substrate addition measured after 10 mins by Ellman's method
50007093	2	ChEMBL_51280 (CHEMBL664982)	Inhibition of binding of 70 pM [125I]-Try0-o-Corticotropin-releasing Factor (CFR) to Corticotropin releasing hormone receptor 1 in Rat brain membrane
50007093	1	ChEMBL_51281 (CHEMBL664983)	Binding affinity against [125I]-Try0-o-Corticotropin-releasing Factor to Corticotropin releasing hormone receptor 1 from ovine
50007094	3	ChEMBL_3337 (CHEMBL619037)	Binding affinity (Ki+/-SEM) against 5-hydroxytryptamine 4 receptor from cheng Prusoff equation by using [3H]GR-113808 in rat striatum
50007095	1	ChEMBL_70569 (CHEMBL857375)	Inhibition of [3H]FPP incorporation into human Ha-Ras by farnesyltransferase
50007095	2	ChEMBL_70568 (CHEMBL682096)	Inhibition of [3H]FPP incorporation into human Ha-Ras by farnesyltransferase
50007095	3	ChEMBL_70570 (CHEMBL682097)	Inhibition of [3H]FPP incorporation into human Ki-Ras by farnesyltransferase
50044395	1	ChEMBL_1349505 (CHEMBL3271188)	Inhibition of human ERG channel expressed in HEK293 cells after 3 to 5.7 mins by whole-cell patch clamp technique
50044395	2	ChEMBL_1349475 (CHEMBL3270794)	Inhibition of RIPK2 (unknown origin) by radioisotopic assay
50044395	3	ChEMBL_1349477 (CHEMBL3270796)	Inhibition of VEGFR2 (unknown origin) by radioisotopic assay
50044395	4	ChEMBL_1349479 (CHEMBL3270798)	Inhibition of ALK5 in human HaCaT cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay
50044395	5	ChEMBL_1349480 (CHEMBL3270799)	Inhibition of ALK5 in mouse 4T1 cells assessed as inhibition of TGFbeta1-induced luciferase activity after 24 hrs by luciferase reporter gene assay
50044395	6	ChEMBL_1349482 (CHEMBL3270801)	Competitive inhibition of ALK5 (unknown origin) by Michaelis-Menten plot analysis in presence of ATP
50044395	7	ChEMBL_1349483 (CHEMBL3270802)	Competitive inhibition of ALK5 (unknown origin) assessed as enzyme/ATP complex by Michaelis-Menten plot analysis in presence of ATP
50044395	8	ChEMBL_1349490 (CHEMBL3270809)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis
50044395	9	ChEMBL_1349492 (CHEMBL3270811)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis
50044395	10	ChEMBL_1349494 (CHEMBL3271177)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis
50044395	11	ChEMBL_1349496 (CHEMBL3271179)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis
50044395	12	ChEMBL_1349498 (CHEMBL3271181)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins prior to substrate addition measured after 10 mins by LC/MS/MS analysis
50044395	13	ChEMBL_1349288 (CHEMBL3268788)	Inhibition of human recombinant ALK5 expressed in insect Sf9 cells using casein as substrate by radioisotopic assay
50007097	7	ChEMBL_62128 (CHEMBL673449)	Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand
50007097	3	ChEMBL_60072 (CHEMBL671981)	Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected cells using [3H]spiperone as radioligand
50007097	6	ChEMBL_33453 (CHEMBL649178)	Binding affinity at alpha-1 adrenergic receptor
50007097	2	ChEMBL_32913 (CHEMBL645901)	Binding affinity at Alpha-2 adrenergic receptor
50007097	5	ChEMBL_2470 (CHEMBL617358)	Binding affinity at 5-hydroxytryptamine 2A receptor
50044395	14	ChEMBL_1349302 (CHEMBL3268802)	Inhibition of ALK1 (unknown origin) by radioisotopic assay
50044395	15	ChEMBL_1349303 (CHEMBL3269161)	Inhibition of ALK2 (unknown origin) by radioisotopic assay
50044395	16	ChEMBL_1349304 (CHEMBL3269162)	Inhibition of ALK3 (unknown origin) by radioisotopic assay
50044395	17	ChEMBL_1349305 (CHEMBL3269163)	Inhibition of ALK4 (unknown origin) by radioisotopic assay
50007101	2	ChEMBL_209568 (CHEMBL811270)	Inhibition of [125I]-MePhe7-Neurokinin B (NKB) binding in human Tachykinin receptor 3 of chinese hamster ovary (hNK-3-CHO) cell membranes.
50007101	1	ChEMBL_209191 (CHEMBL817320)	Inhibition of [125I]neurokinin A (NKA) binding in human Tachykinin receptor 2 of chinese hamster ovary (hNK-2-CHO) cell membranes.
50007101	3	ChEMBL_205882 (CHEMBL813796)	Inhibition of [3H]-substance P binding in human Tachykinin receptor 1 of chinese hamster ovary (hNK-1-CHO) cell membranes
50044395	18	ChEMBL_1349306 (CHEMBL3269164)	Inhibition of ALK6 (unknown origin) by radioisotopic assay
50044395	19	ChEMBL_1349289 (CHEMBL3268789)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radioisotopic assay
50007109	2	ChEMBL_53326 (CHEMBL664912)	Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase
50044396	1	ChEMBL_1349818 (CHEMBL3268019)	Inhibition of c-Met (unknown origin) using poly Glu:Tyr (4:1) as substrate after 60 mins by ELISA
50044396	2	ChEMBL_1349816 (CHEMBL3268017)	Inhibition of c-Met (unknown origin)
50044396	3	ChEMBL_1349817 (CHEMBL3268018)	Inhibition of c-Met (unknown origin) using poly Glu:Tyr (4:1) as substrate after 60 mins by liquid scintillation counting analysis in presence of [gamma-33P]-ATP
50044397	1	ChEMBL_1349847 (CHEMBL3268423)	Inhibition of FAK (unknown origin) assembly after 20 mins by turbidimetric method
50044398	1	ChEMBL_1349852 (CHEMBL3268428)	Inhibition of Stat1 (unknown origin)-induced human CXCL10 (972 bp) promoter activity expressed in TNF-alpha/IFN-gamma/IL-1beta-stimulated human DLD1 cells after 24 hrs by luciferase reporter assay
50044399	1	ChEMBL_1349989 (CHEMBL3270415)	Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay
50044399	2	ChEMBL_1349990 (CHEMBL3270416)	Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay
50007112	5	ChEMBL_106446 (CHEMBL717317)	The concentration required to achieve 50% inhibition against Matrix metalloprotease-1
50007112	3	ChEMBL_104563 (CHEMBL714223)	The concentration required to achieve 50% inhibition against Matrix metalloprotease-2
50007112	2	ChEMBL_104906 (CHEMBL713442)	The concentration required to achieve 50% inhibition against Matrix metalloprotease-3
50007112	7	ChEMBL_156954 (CHEMBL762664)	The concentration required to achieve 50% inhibition against pig pancreatic elastase
50007112	4	ChEMBL_157486 (CHEMBL873642)	The concentration required to achieve 50% inhibition against prolyl endopeptidase
50007114	2	ChEMBL_55125 (CHEMBL665451)	Inhibitory concentration against Rat liver Dihydrofolate reductase
50007116	1	ChEMBL_90980 (CHEMBL696527)	Reversible Inhibition constants against IL-1 beta converting enzyme (ICE)
50044400	1	ChEMBL_1349995 (CHEMBL3270421)	Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cell microsomes assessed as p-tyramine conversion to resorufin and H2O2 after 15 mins by fluorimetric assay
50044400	2	ChEMBL_1349997 (CHEMBL3270423)	Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cell microsomes assessed as p-tyramine conversion to resorufin and H2O2 after 15 mins by fluorimetric assay
50044401	1	ChEMBL_1350155 (CHEMBL3266077)	Inhibition of Cdc7/Dbf4 (unknown origin)-mediated phosphorylation of MCM2 by protein-A luminescent proximity homogenous assay
50044401	2	ChEMBL_1350156 (CHEMBL3266078)	Inhibition of CDK2/Cyclin-E (unknown origin) using maltose binding protein as substrate by HTRF assay
50044401	3	ChEMBL_1350345 (CHEMBL3268439)	Inhibition of Cdc7/Dbf4 (unknown origin) using 54 uM of ATP as substrate by AlphaScreen assay
50044401	4	ChEMBL_1350346 (CHEMBL3268440)	Inhibition of Cdc7/Dbf4 (unknown origin) using 27 uM of ATP as substrate by AlphaScreen assay
50044401	5	ChEMBL_1350347 (CHEMBL3268441)	Inhibition of Cdc7/Dbf4 (unknown origin) using 18 uM of ATP as substrate by AlphaScreen assay
50044401	6	ChEMBL_1350348 (CHEMBL3268442)	Inhibition of Cdc7/Dbf4 (unknown origin) using 9 uM of ATP as substrate by AlphaScreen assay
50044401	7	ChEMBL_1350158 (CHEMBL3266080)	Inhibition of Cdc7/Dbf4 (unknown origin) using 3 uM of ATP as substrate by AlphaScreen assay
50044401	8	ChEMBL_1350159 (CHEMBL3266081)	Inhibition of Cdc7/Dbf4 (unknown origin) using 1.5 uM of ATP as substrate by AlphaScreen assay
50044401	9	ChEMBL_1350160 (CHEMBL3266082)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.75 uM of ATP as substrate by AlphaScreen assay
50044401	10	ChEMBL_1350161 (CHEMBL3266083)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.375 uM of ATP as substrate by AlphaScreen assay
50044401	11	ChEMBL_1350162 (CHEMBL3266084)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.188 uM of ATP as substrate by AlphaScreen assay
50044401	12	ChEMBL_1350163 (CHEMBL3266085)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.094 uM of ATP as substrate by AlphaScreen assay
50044401	13	ChEMBL_1350164 (CHEMBL3266086)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.047 uM of ATP as substrate by AlphaScreen assay
50044401	14	ChEMBL_1350165 (CHEMBL3266087)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.023 uM of ATP as substrate by AlphaScreen assay
50044401	15	ChEMBL_1350175 (CHEMBL3266097)	Inhibition of Cdc7/Dbf4 in human HCT116 cells assessed as reduction of MCM2 phosphorylation after 14 hrs
50044401	16	ChEMBL_1350178 (CHEMBL3266100)	Inhibition of CDK1/Cyclin-B (unknown origin) by homogeneous time-resolved fluorescence assay
50044401	17	ChEMBL_1350179 (CHEMBL3266484)	Inhibition of CDK4/Cyclin-D1 (unknown origin) by homogeneous time-resolved fluorescence assay
50044401	18	ChEMBL_1350180 (CHEMBL3266485)	Inhibition of CDK9/Cyclin-T1 (unknown origin) by homogeneous time-resolved fluorescence assay
50044401	19	ChEMBL_1350182 (CHEMBL3266487)	Inhibition of CK1alpha (unknown origin) by TR-FRET assay
50044401	20	ChEMBL_1350338 (CHEMBL3268059)	Inhibition of CK1delta (unknown origin) by TR-FRET assay
50044401	21	ChEMBL_1350339 (CHEMBL3268433)	Inhibition of Pim1 (unknown origin) by homogeneous time-resolved fluorescence assay
50044401	22	ChEMBL_1350349 (CHEMBL3268443)	Inhibition of Cdc7/Dbf4 (unknown origin) using 6 uM of ATP as substrate by AlphaScreen assay
50044401	23	ChEMBL_1350350 (CHEMBL3268444)	Inhibition of Cdc7/Dbf4 (unknown origin) using 2 uM of ATP as substrate by AlphaScreen assay
50044401	24	ChEMBL_1350351 (CHEMBL3268445)	Inhibition of Cdc7/Dbf4 (unknown origin) using 1 uM of ATP as substrate by AlphaScreen assay
50044401	25	ChEMBL_1350352 (CHEMBL3268446)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.667 uM of ATP as substrate by AlphaScreen assay
50044401	26	ChEMBL_1350353 (CHEMBL3268447)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.333 uM of ATP as substrate by AlphaScreen assay
50044401	27	ChEMBL_1350354 (CHEMBL3268448)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.222 uM of ATP as substrate by AlphaScreen assay
50044401	28	ChEMBL_1350355 (CHEMBL3268449)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.111 uM of ATP as substrate by AlphaScreen assay
50044401	29	ChEMBL_1350356 (CHEMBL3268450)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.074 uM of ATP as substrate by AlphaScreen assay
50044401	30	ChEMBL_1350357 (CHEMBL3268451)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.037 uM of ATP as substrate by AlphaScreen assay
50044401	31	ChEMBL_1350358 (CHEMBL3268452)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.025 uM of ATP as substrate by AlphaScreen assay
50044401	32	ChEMBL_1350359 (CHEMBL3268453)	Inhibition of Cdc7/Dbf4 (unknown origin) using 0.012 uM of ATP as substrate by AlphaScreen assay
50044402	1	ChEMBL_1350864 (CHEMBL3267292)	Inhibition of recombinant TDP1(unknown origin) using 5'-[32P]-single stranded N14Y DNA oligonucleotide after 15 mins by agarose gel electrophoresis
50044403	1	ChEMBL_1348013 (CHEMBL3268312)	Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis
50044403	2	ChEMBL_1348014 (CHEMBL3268313)	Agonist activity at human alpha7 nAChR expressed in Xenopus oocytes by voltage clamp method
50044403	3	ChEMBL_1348243 (CHEMBL3271112)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50044403	4	ChEMBL_1348244 (CHEMBL3271113)	Agonist activity at alpha7 nAChR (unknown origin)
50044403	5	ChEMBL_1348026 (CHEMBL3268690)	Inhibition of human alpha4beta2 nAChR expressed in Xenopus oocytes by voltage clamp method
50044403	6	ChEMBL_1348027 (CHEMBL3268691)	Inhibition of human ERG by whole-cell voltage clamp assay
50044403	7	ChEMBL_1348028 (CHEMBL3268692)	Inhibition of CYP1A2 (unknown origin)
50044403	8	ChEMBL_1348029 (CHEMBL3268693)	Inhibition of CYP2C9 (unknown origin)
50044403	9	ChEMBL_1348206 (CHEMBL3270321)	Inhibition of CYP2C19 (unknown origin)
50044403	10	ChEMBL_1348207 (CHEMBL3270322)	Inhibition of CYP2D6 (unknown origin)
50044403	11	ChEMBL_1348208 (CHEMBL3270323)	Inhibition of CYP3A4 (unknown origin)
50044404	1	ChEMBL_1348462 (CHEMBL3266777)	Inhibition of bovine aldose reductase assessed as oxidation of NADPH
50044405	1	ChEMBL_1348470 (CHEMBL3266785)	Inhibition of electric eel AChE by Ellman's method
50044405	2	ChEMBL_1348469 (CHEMBL3266784)	Inhibition of equine serum BChE by Ellman's method
50044406	1	ChEMBL_1348487 (CHEMBL3266802)	Binding affinity to sigma-1 receptor (unknown origin)
50044406	2	ChEMBL_1348908 (CHEMBL3271539)	Displacement of (+)-[3H]pentazocine from sigma-1 receptor in human MCF7 cell membranes after 120 mins
50044406	3	ChEMBL_1348912 (CHEMBL3271543)	Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell membranes after 60 mins by Scatchard plot analysis
50044406	4	ChEMBL_1348915 (CHEMBL3271546)	Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting analysis
50044407	1	ChEMBL_1348919 (CHEMBL3271550)	Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp assay
50044408	1	ChEMBL_1347422 (CHEMBL3267841)	Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition by fluorometric assay
50044409	1	ChEMBL_1347524 (CHEMBL3268689)	Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 35 mins followed by enzyme addition measured after 3 mins by Ellman's method
50044410	1	ChEMBL_1347550 (CHEMBL3269085)	Inhibition of COX-2 (unknown origin)
50044410	2	ChEMBL_1347549 (CHEMBL3269084)	Inhibition of COX-1 (unknown origin)
50044411	1	ChEMBL_1347653 (CHEMBL3270692)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis
50044411	2	ChEMBL_1347652 (CHEMBL3270691)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis
50044411	3	ChEMBL_1347647 (CHEMBL3270686)	Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley rat ventral striatum after 90 mins
50044411	4	ChEMBL_1347656 (CHEMBL3270695)	Antagonist activity at human dopamine D3 receptor expressed in human U2OS cells assessed as inhibition of pramipexole-stimulated beta-arrestin recruitment
50044412	1	ChEMBL_1347756 (CHEMBL3271857)	Binding affinity to MDM2 in human MCF7 cells assessed as inhibition of MDM2-p53 interaction
50044412	2	ChEMBL_1347757 (CHEMBL3271858)	Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay
50044413	1	ChEMBL_1347345 (CHEMBL3265474)	Inhibition of horse serum BuChE using butyrylthiocholine as substrate by UV spectroscopic analysis
50007131	1	ChEMBL_70185 (CHEMBL684373)	Concentration required to reduce binding of fibrinogen to purified Fibrinogen Receptor by 50% using ELISA
50044414	1	ChEMBL_1347480 (CHEMBL3268272)	Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis
50007134	1	ChEMBL_210078 (CHEMBL813601)	Inhibitory concentration against human telomerase.
50044415	1	ChEMBL_1347605 (CHEMBL3269883)	Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production from arachidonic acid preincubated for 15 mins by HPLC analysis
50044415	2	ChEMBL_1347661 (CHEMBL3270700)	Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 5 to 10 mins by HPLC analysis
50007136	2	ChEMBL_202104 (CHEMBL814213)	In vitro inhibitory activity against Squalene Synthase
50007136	1	ChEMBL_202256 (CHEMBL813370)	tested for in vitro inhibitory activity against Squalene Synthase
50044415	3	ChEMBL_1347664 (CHEMBL3270703)	Inhibition of 15-LO in human polymorphonuclear leukocytes assessed as inhibition of 15-H(P)ETE production from arachidonic acid preincubated for 15 mins by HPLC analysis
50044416	1	ChEMBL_1347684 (CHEMBL3271085)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs
50044416	2	ChEMBL_1347685 (CHEMBL3271086)	Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat cortex, striatum and cerebellum-dissected brain after 60 mins by scintillation counting analysis
50044416	3	ChEMBL_1347683 (CHEMBL3271084)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometric analysis
50044417	1	ChEMBL_1354674 (CHEMBL3281099)	Inhibition of amidase activity of bovine thrombin using BANA as substrate after 15 to 40 mins
50044417	2	ChEMBL_1354675 (CHEMBL3281100)	Inhibition of amidase activity of bovine thrombin using BPVANA as substrate after 15 to 40 mins
50044417	3	ChEMBL_1354676 (CHEMBL3281101)	Inhibition of porcine pancreatic kallikrein using BANA as substrate after 15 to 180 mins
50044417	4	ChEMBL_1354677 (CHEMBL3281102)	Inhibition of porcine pancreatic kallikrein using BPPANA as substrate after 15 to 180 mins
50007140	2	ChEMBL_45347 (CHEMBL661885)	Inhibitory activity against human neutrophil cathepsin G.
50007140	3	ChEMBL_49438 (CHEMBL885061)	Inhibitory activity against human heart chymase in vitro.
50007140	1	ChEMBL_34106 (CHEMBL649735)	Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro
50044417	5	ChEMBL_1354679 (CHEMBL3281104)	Inhibition of human thrombin-mediated blood clotting formation in presence of human fibrinogen
50007143	1	ChEMBL_155185 (CHEMBL761832)	Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung
50044418	1	ChEMBL_1356559 (CHEMBL3286058)	Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation counting analysis
50044418	2	ChEMBL_1356560 (CHEMBL3286059)	Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis
50007143	4	ChEMBL_156304 (CHEMBL760825)	Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)
50044419	1	ChEMBL_1357416 (CHEMBL3281574)	Inhibition of histamine N-methyltransferase in guinea pig brain using S-adenosyl-L-methionine-14C as substrate by scintillation spectrophotometer
50044420	1	ChEMBL_1359536 (CHEMBL3281710)	Inhibition of Escherichia coli DNA-primed RNA polymerase activity using [8-14C]ATP by scintillation counting
50044422	1	ChEMBL_1360626 (CHEMBL3282544)	Displacement of [3H]Strychnine from glycine receptor in rat brain synaptic membranes
50044423	1	ChEMBL_1354803 (CHEMBL3279104)	Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis
50044423	2	ChEMBL_1354804 (CHEMBL3279105)	Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis
50044423	3	ChEMBL_1354805 (CHEMBL3279106)	Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis
50044423	4	ChEMBL_1354806 (CHEMBL3279107)	Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis
50044424	1	ChEMBL_1357878 (CHEMBL3285765)	Inhibition of MTX-resistant Lactobacillus casei dihydrofolate reductase
50044424	2	ChEMBL_1357879 (CHEMBL3285766)	Inhibition of MTX-resistant Lactobacillus casei thymidylate synthetase
50044425	1	ChEMBL_1358288 (CHEMBL3284705)	Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed dTMP formation using dUMP as substrate by spectrophotometric analysis in presence of CH2-H4-folate
50044425	2	ChEMBL_1358290 (CHEMBL3284707)	Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed 5-BrdUMP dehalogenation by absorbance analysis in absence of CH2-H4-folate
50044425	3	ChEMBL_1358293 (CHEMBL3284710)	Binding affinity to amethopterin-resistant Lactobacillus casei thymidylate synthetase in presence of cofactor permitting covalent bond formation
50044425	4	ChEMBL_1358294 (CHEMBL3284711)	Binding affinity to amethopterin-resistant Lactobacillus casei thymidylate synthetase in presence of cofactor not permitting covalent bond formation
50044426	1	ChEMBL_1360667 (CHEMBL3282825)	Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis
50044426	2	ChEMBL_1360668 (CHEMBL3282826)	Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis
50044426	3	ChEMBL_1360665 (CHEMBL3282823)	Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis
50044426	4	ChEMBL_1360666 (CHEMBL3282824)	Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis
50044427	1	ChEMBL_1360672 (CHEMBL3282830)	Non-competitive inhibition of pyridoxine phosphate oxidase (unknown origin) assessed as oxidation of pyridoxol 5'-phosphate by Lineweaver-Burk plot analysis
50044427	2	ChEMBL_1360674 (CHEMBL3282832)	Non-competitive inhibition of pyridoxal phosphokinase (unknown origin)
50044427	3	ChEMBL_1360675 (CHEMBL3282833)	Competitive inhibition of pyridoxal phosphokinase (unknown origin)
50035698	4	ChEMBL_54566 (CHEMBL664880)	Association constant at Val-31(Kon) of dihydrofolate reductase (DHFR)
50035698	20	ChEMBL_54546 (CHEMBL664862)	Binding constant(Ki) to dihydrofolate reductase (DHFR) Val -31 was determined
50007147	3	ChEMBL_200527 (CHEMBL806597)	compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5)
50007147	2	ChEMBL_200500 (CHEMBL803845)	Compound was tested for the inhibition of mSSTR2b
50007147	1	ChEMBL_200532 (CHEMBL806602)	Compound was tested for the inhibition of rSSTR5
50007148	1	ChEMBL_211874 (CHEMBL819256)	Inhibition of bovine tubulin polymerization
50007150	3	ChEMBL_214773 (CHEMBL816231)	Affinity for vitronectin receptor, integrin alphaV-beta3
50007150	2	ChEMBL_70322 (CHEMBL677002)	Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3
50007150	1	ChEMBL_70321 (CHEMBL678026)	Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3
50035698	22	ChEMBL_54410 (CHEMBL667168)	Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 8
50035698	27	ChEMBL_54549 (CHEMBL664865)	Inhibition constant for Val31-dihydrofolate reductase (DHFR)-NADPH-Compound complex
50037403	11	ChEMBL_310298 (CHEMBL832303)	Inhibition of forskolin-induced cAMP accumulation in CHO-K1 cells expressing human sst5 receptor
50037403	12	ChEMBL_302433 (CHEMBL827131)	Inhibitory constant against human sst5 receptor at a dose of 10 uM
50007152	8	ChEMBL_216986 (CHEMBL822802)	Inhibition of C-src tyrosine kinase
50007152	7	ChEMBL_66897 (CHEMBL675521)	Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase
50044429	1	ChEMBL_1355050 (CHEMBL3280464)	Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis
50044429	2	ChEMBL_1355051 (CHEMBL3280465)	Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50007152	6	ChEMBL_66898 (CHEMBL675380)	Inhibition of epidermal growth factor receptor (EGFr) tyrosine kinase
50044429	3	ChEMBL_1355052 (CHEMBL3280466)	Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis
50044429	4	ChEMBL_1355053 (CHEMBL3280467)	Mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as concentration required for 25% inhibition by Lineweaver-Burk plot analysis
50044429	5	ChEMBL_1355054 (CHEMBL3280468)	Reversible competitive inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50044429	6	ChEMBL_1355055 (CHEMBL3280469)	Reversible competitive inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50044429	7	ChEMBL_1355056 (CHEMBL3280470)	Mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50044429	8	ChEMBL_1355057 (CHEMBL3280471)	Mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis
50044429	9	ChEMBL_1355058 (CHEMBL3280472)	Mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50007163	2	ChEMBL_141013 (CHEMBL747503)	Antagonism of N-methyl-D-aspartate glutamate receptor 1 glycine sites using [3H]DCKA as a radioligand
50007163	1	ChEMBL_141014 (CHEMBL747504)	Antagonism of N-methyl-D-aspartate glutamate receptor 1 sites using [3H]DCKA as a radioligand
50044429	10	ChEMBL_1355049 (CHEMBL3280463)	Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50044429	11	ChEMBL_1355059 (CHEMBL3280473)	Mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis
50044430	1	ChEMBL_1359662 (CHEMBL3282777)	Binding affinity to Sprague-Dawley rat pyruvate kinase L assessed as apprent enzyme-inhibitor dissociation constant using PEP as substrate by spectrophotometric analysis
50044431	1	ChEMBL_1355172 (CHEMBL3280975)	Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis
50044432	1	ChEMBL_1357228 (CHEMBL3284360)	Noncompetitive inhibition of human granulocyte elastase using Ac-Ala-Ala-Pro-Ala-p-nitroanilide as substrate by Dixon plot analysis
50044433	1	ChEMBL_1358464 (CHEMBL3281632)	Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs
50044433	2	ChEMBL_1358466 (CHEMBL3281634)	Displacement of 2 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs
50044433	3	ChEMBL_1358461 (CHEMBL3281629)	Displacement of radiolabeled estradiol from estradiol receptor in rat uterine cytosol
50044434	1	ChEMBL_1356814 (CHEMBL3285171)	Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method
50044435	1	ChEMBL_1363117 (CHEMBL3293610)	Inhibition of human ERG expressed in HEK cells by voltage clamp assay
50044435	2	ChEMBL_1363165 (CHEMBL3293880)	Inhibition of CYP1A2 (unknown origin)
50044435	3	ChEMBL_1363166 (CHEMBL3293881)	Inhibition of CYP3A4 (unknown origin)
50044435	4	ChEMBL_1363167 (CHEMBL3293882)	Inhibition of CYP2C8 (unknown origin)
50044435	5	ChEMBL_1363168 (CHEMBL3293883)	Inhibition of CYP2C9 (unknown origin)
50044435	6	ChEMBL_1363169 (CHEMBL3293884)	Inhibition of CYP2D6 (unknown origin)
50044435	7	ChEMBL_1362738 (CHEMBL3294937)	Inhibition of FLAG-tagged full-length human recombinant HDAC1 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50007171	2	ChEMBL_47982 (CHEMBL657484)	Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig cortical membrane.
50007171	1	ChEMBL_47639 (CHEMBL659910)	Inhibition of ligand binding to Cholecystokinin type A receptor from rat pancreatic tissue.
50007171	3	ChEMBL_47981 (CHEMBL657483)	The concentration required for half maximal inhibition of the binding to Cholecystokinin type B receptor (CCK-B) from guinea pig cortical membrane
50007172	1	ChEMBL_68374 (CHEMBL678783)	compound was tested for the ability to function as transport substrates for the human folate-binding protein(mFBP)
50007172	2	ChEMBL_72910 (CHEMBL684724)	Inhibition of recombinant human Glycinamide Ribonucleotide Transformylase (GART) using N10-formyl-5,8-dideazafolate (FDDF) as the cofactor. 
50044435	8	ChEMBL_1362739 (CHEMBL3294938)	Inhibition of FLAG-tagged full-length human recombinant HDAC2 expressed in baculovirus infected Sf9 cells using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	9	ChEMBL_1362740 (CHEMBL3294939)	Inhibition of FLAG-tagged full-length human recombinant HDAC3 expressed in HEK293F cells coexpressing SMRT using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	10	ChEMBL_1362741 (CHEMBL3294940)	Inhibition of His-tagged human recombinant HDAC4 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	11	ChEMBL_1362737 (CHEMBL3294936)	Inhibition of His-tagged human recombinant HDAC5 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	12	ChEMBL_1362742 (CHEMBL3294941)	Inhibition of FLAG-tagged full-length human recombinant HDAC6 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	13	ChEMBL_1362743 (CHEMBL3294942)	Inhibition of His-tagged human recombinant HDAC7 catalytic domain expressed in Escherichia coli using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	14	ChEMBL_1362744 (CHEMBL3294943)	Inhibition of His-tagged full-length human recombinant HDAC8 expressed in Escherichia coli using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	15	ChEMBL_1362745 (CHEMBL3294944)	Inhibition of FLAG-tagged full-length human recombinant HDAC11 expressed in HEK293F cells using acetyl-lysine containing peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorescence assay
50044435	16	ChEMBL_1363116 (CHEMBL3293609)	Binding affinity to human ERG
50044436	1	ChEMBL_1364728 (CHEMBL3293989)	Antagonist activity at EP3 receptor (unknown origin) by functional cAMP assay
50044436	2	ChEMBL_1364729 (CHEMBL3293990)	Antagonist activity at EP4 receptor (unknown origin) by functional cAMP assay
50044436	3	ChEMBL_1364730 (CHEMBL3293991)	Antagonist activity at DP1 receptor (unknown origin) by functional cAMP assay
50044436	4	ChEMBL_1364731 (CHEMBL3293992)	Antagonist activity at prostanoid IP receptor (unknown origin) by functional cAMP assay
50044436	5	ChEMBL_1364732 (CHEMBL3293993)	Inhibition of EP2 receptor (unknown origin) by competitive binding assay
50044436	6	ChEMBL_1364742 (CHEMBL3294003)	Inhibition of 5-HT2B receptor (unknown origin)
50044436	7	ChEMBL_1364387 (CHEMBL3294256)	Agonist activity at EP2 receptor (unknown origin) by cAMP assay
50044436	8	ChEMBL_1364374 (CHEMBL3294243)	Binding affinity to EP4 receptor (unknown origin)
50044436	9	ChEMBL_1364375 (CHEMBL3294244)	Binding affinity to prostanoid IP receptor (unknown origin)
50044436	10	ChEMBL_1364380 (CHEMBL3294249)	Agonist activity at EP2 receptor (unknown origin) by functional assay
50044436	11	ChEMBL_1364381 (CHEMBL3294250)	Agonist activity at prostanoid IP receptor (unknown origin) by functional assay
50044436	12	ChEMBL_1364389 (CHEMBL3294258)	Antagonist activity at EP2 receptor (unknown origin) by functional cAMP assay
50044436	13	ChEMBL_1364390 (CHEMBL3294259)	Antagonist activity at EP1 receptor (unknown origin) by functional cAMP assay
50044436	14	ChEMBL_1364371 (CHEMBL3294240)	Binding affinity to EP2 receptor (unknown origin) by competitive binding assay
50044436	15	ChEMBL_1364372 (CHEMBL3294241)	Binding affinity to EP1 receptor (unknown origin)
50044436	16	ChEMBL_1364373 (CHEMBL3294242)	Binding affinity to EP3 receptor (unknown origin)
50044437	1	ChEMBL_1364744 (CHEMBL3294005)	Inhibition of human 11beta-HSD2
50044437	2	ChEMBL_1364745 (CHEMBL3294006)	Inhibition of mouse 11beta-HSD1
50007181	3	ChEMBL_30484 (CHEMBL641436)	Displacement of specific [125I]AB-MECA binding at rat Adenosine A3 receptor in CHO cells
50044437	3	ChEMBL_1364746 (CHEMBL3294007)	Inhibition of human 11beta-HSD1
50044437	4	ChEMBL_1364749 (CHEMBL3294010)	Inhibition of mouse 11beta-HSD2
50044437	5	ChEMBL_1364761 (CHEMBL3294022)	Inhibition of N-terminal His-tagged full length human 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins measured after 2 hrs by HTRF assay
50044437	6	ChEMBL_1364762 (CHEMBL3294023)	Inhibition of N-terminal His-tagged full length mouse 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins measured after 2 hrs by HTRF assay
50044437	7	ChEMBL_1364763 (CHEMBL3294024)	Inhibition of N-terminal His-tagged full length rat 11beta-HSD1 assessed as inhibition of cortisone to cortisol conversion preincubated for 25 mins measured after 2 hrs by HTRF assay
50044437	8	ChEMBL_1364775 (CHEMBL3294283)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells
50044437	9	ChEMBL_1364776 (CHEMBL3294284)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells
50044437	10	ChEMBL_1364777 (CHEMBL3294285)	Inhibition of rat 11beta-HSD1 expressed in HEK293 cells
50044437	11	ChEMBL_1364783 (CHEMBL3294291)	Inhibition of adipose tissue-derived 11beta-HSD1 (unknown origin)
50044437	12	ChEMBL_1364766 (CHEMBL3294274)	Inhibition of human ERG
50044438	1	ChEMBL_1364793 (CHEMBL3294301)	Competitive inhibition of SphK1 (unknown origin)
50044438	2	ChEMBL_1364794 (CHEMBL3294302)	Inhibition of SphK1 (unknown origin)
50044438	3	ChEMBL_1364795 (CHEMBL3294303)	Inhibition of SphK2 (unknown origin)
50007186	1	ChEMBL_33283 (CHEMBL644243)	Binding affinities against Alpha-1 adrenergic receptor (alpha1 adrenoceptor) using [3H]prazosin as radioligand in rat cerebral cortex membrane
50007186	2	ChEMBL_1472 (CHEMBL616595)	Binding affinities against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in rat cerebral cortex membrane
50044438	4	ChEMBL_1365135 (CHEMBL3292342)	Competitive inhibition of V5-His-tagged human SphK2 expressed in HEK293 cells assessed as S1P production using sphingosine and [gamma-32P]ATP as substrate by thin layer chromatography
50044438	5	ChEMBL_1365136 (CHEMBL3292343)	Inhibition of SphK2 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate
50044438	6	ChEMBL_1365137 (CHEMBL3292344)	Competitive inhibition of human recombinant SphK2 assessed as NBD-S1P formation using NBD-Sph as substrate by HPLC analysis
50044438	7	ChEMBL_1365138 (CHEMBL3292345)	Competitive inhibition of human recombinant SphK1 using sphingosine and ATP as substrate by ADP-Quest kinase assay
50044438	8	ChEMBL_1365139 (CHEMBL3292346)	Competitive inhibition of human recombinant SphK2 using sphingosine and ATP as substrate by ADP-Quest kinase assay
50044438	9	ChEMBL_1365140 (CHEMBL3292347)	Competitive inhibition of C-terminal His6-tagged human recombinant SphK1 expressed in baculovirus-infected Sf9 cells using sphingosine as substrate
50044439	1	ChEMBL_1365183 (CHEMBL3292933)	Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP
50044439	2	ChEMBL_1365142 (CHEMBL3292349)	Binding affinity to P2Y1 receptor in human platelets
50044439	3	ChEMBL_1365177 (CHEMBL3292927)	Antagonist activity at P2X1 receptor (unknown origin) by FLIPR assay
50044439	4	ChEMBL_1365178 (CHEMBL3292928)	Antagonist activity at P2Y2 receptor (unknown origin)
50044439	5	ChEMBL_1365179 (CHEMBL3292929)	Antagonist activity at P2Y12 receptor (unknown origin)
50044440	1	ChEMBL_1365574 (CHEMBL3297283)	Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
50044440	2	ChEMBL_1365585 (CHEMBL3297366)	Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
50044440	3	ChEMBL_1365586 (CHEMBL3297367)	Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
50044440	4	ChEMBL_1365587 (CHEMBL3297368)	Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
50044440	5	ChEMBL_1365588 (CHEMBL3297369)	Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs
50007189	3	ChEMBL_62109 (CHEMBL674987)	Ability to displace [3H]spiperone from human cloned Dopamine receptor D3 expressed in CHO K-1 cells in vitro.
50007189	6	ChEMBL_60055 (CHEMBL671369)	Ability to displace [3H]spiperone from human cloned Dopamine receptor D2 expressed in CHO K-1 cells in vitro.
50007189	5	ChEMBL_63103 (CHEMBL674496)	Ability to displace [3H]spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro
50007189	7	ChEMBL_1322 (CHEMBL616949)	Binding affinity against rat brain 5-hydroxytryptamine 1A receptor
50007189	1	ChEMBL_2620 (CHEMBL621532)	Binding affinity against rat brain 5-hydroxytryptamine 2A receptor
50044440	6	ChEMBL_1365589 (CHEMBL3297370)	Displacement of [I125]-NDP-MSH from wild type human melanocortin-4 receptor expressed in HEK293 cells
50044441	1	ChEMBL_1365593 (CHEMBL3297374)	Inhibition of C-terminal His-tagged Wolbachia PBGS using 5-ALA as substrate
50044441	2	ChEMBL_1365601 (CHEMBL3297382)	Stimulation of Escherichia coli recombinant PBGS using 5-ALA as substrate
50044441	3	ChEMBL_1365603 (CHEMBL3297384)	Stimulation of Vibrio cholerae recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate
50044441	4	ChEMBL_1365605 (CHEMBL3297386)	Stimulation of Yersinia enterocolitica recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate
50044441	5	ChEMBL_1365607 (CHEMBL3297388)	Stimulation of Pseudomonas aeruginosa PAO1 recombinant PBGS using 5-ALA as substrate
50044441	6	ChEMBL_1365611 (CHEMBL3297392)	Inhibition of Vibrio cholerae recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate
50044441	7	ChEMBL_1365622 (CHEMBL3297469)	Inhibition of Drosophila melanogaster recombinant PBGS using 5-ALA as substrate
50044441	8	ChEMBL_1365623 (CHEMBL3297470)	Inhibition of human PBGS using 5-ALA as substrate
50044441	9	ChEMBL_1365972 (CHEMBL3296703)	Inhibition of Pseudomonas aeruginosa PAO1 recombinant PBGS using 5-ALA as substrate
50007199	1	ChEMBL_157767 (CHEMBL767670)	5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leukocytes
50044441	10	ChEMBL_1365592 (CHEMBL3297373)	Inhibition of Pisum sativum PBGS using 5-ALA as substrate
50044442	1	ChEMBL_1366349 (CHEMBL3296076)	Inhibition of human recombinant MAO-A expressed in yeast after 1 hr by luciferin-based luminescence assay
50044442	2	ChEMBL_1361000 (CHEMBL3295378)	Inhibition of MAO-A (unknown origin) using tyramine as substrate after 30 to 60 mins by fluorescence plate reader analysis
50044442	3	ChEMBL_1361003 (CHEMBL3295381)	Inhibition of CYP2E1 (unknown origin)
50044443	1	ChEMBL_1361354 (CHEMBL3293518)	Positive allosteric modulation of rat mGluR3 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
50044443	2	ChEMBL_1361715 (CHEMBL3291872)	Agonist activity at rat mGluR2 receptor expressed in HEK293 cells assessed as thallium flux incubated for 2.5 mins prior to thallium buffer addition measured after 2.5 mins by GIRK assay
50044443	3	ChEMBL_1362009 (CHEMBL3294080)	Positive allosteric modulation of rat mGluR3 receptor expressed in TREx293 cells by calcium mobilization assay
50044443	4	ChEMBL_1362011 (CHEMBL3294082)	Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293A cells by calcium mobilization assay
50044443	5	ChEMBL_1362021 (CHEMBL3294092)	Antagonist activity at rat mGlu1 receptor expressed in HEK293 cells
50044443	6	ChEMBL_1362022 (CHEMBL3294093)	Antagonist activity at rat mGlu4 receptor expressed in HEK293 cells
50044443	7	ChEMBL_1362023 (CHEMBL3294094)	Positive allosteric modulation of rat mGlu6 receptor expressed in HEK293 cells
50044443	8	ChEMBL_1361673 (CHEMBL3291570)	Binding affinity to human histamine H2 receptor at 10 uM by radioligand displacement assay
50007207	1	ChEMBL_89709 (CHEMBL696412)	Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human platelet-rich plasma (PRP)
50007207	3	ChEMBL_70308 (CHEMBL677855)	Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.
50007207	2	ChEMBL_214774 (CHEMBL816232)	Inhibition of adhesive protein binding to alphaV-beta3 vitronectin receptor using ELISA
50007207	4	ChEMBL_70307 (CHEMBL677854)	Inhibition of fibrinogen binding to purified Fibrinogen Receptor preparation in enzyme-linked immunosorbent assay (ELISA)
50044443	9	ChEMBL_1361675 (CHEMBL3291572)	Binding affinity to human histamine H4 receptor at 10 uM by radioligand displacement assay
50044443	10	ChEMBL_1361352 (CHEMBL3293516)	Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced thallium flux incubated for 2.5 mins prior to glutamate addition measured after 2.5 mins by GIRK assay
50007212	1	ChEMBL_28628 (CHEMBL644626)	Inhibition of human acetylcholinesterase from erythrocytes (RBC)
50007212	2	ChEMBL_41428 (CHEMBL876073)	Inhibition of human Butyrylcholinesterase
50007215	1	ChEMBL_149139 (CHEMBL759230)	Inhibition of [3H]dihydromorphine binding to opioid receptor mu 1 in rat brain cortical membranes.
50044444	1	ChEMBL_1362061 (CHEMBL3294386)	Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionine as substrate after 2 hrs by TR-FRET assay
50044444	2	ChEMBL_1362062 (CHEMBL3294387)	Competitive inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED/RbAp46/48 (unknown origin) using histone H3 peptide/varying concentration of S-adenosylmethionine as substrate after 2 hrs by Lineweaver-Burk plot analysis
50044445	1	ChEMBL_1362779 (CHEMBL3295222)	Inhibition of human PDE4D using [3H]cAMP by packard topcount scintillation counting analysis
50044445	2	ChEMBL_1362780 (CHEMBL3295223)	Inhibition of human PDE4A1A using [3H]cAMP by packard topcount scintillation counting analysis
50044445	3	ChEMBL_1362781 (CHEMBL3295224)	Inhibition of human recombinant PDE4B at high-affinity rolipram binding site
50044445	4	ChEMBL_1362782 (CHEMBL3295225)	Inhibition of rat PDE4B
50044445	5	ChEMBL_1362406 (CHEMBL3292514)	Inhibition of human ERG
50044445	6	ChEMBL_1362433 (CHEMBL3292789)	Inhibition of CYP3A4 (unknown origin)
50044445	7	ChEMBL_1362434 (CHEMBL3292790)	Inhibition of CYP2C9 (unknown origin)
50044445	8	ChEMBL_1362437 (CHEMBL3292793)	Inhibition of CYP2D6 (unknown origin)
50044445	9	ChEMBL_1362773 (CHEMBL3295216)	Inhibition of CYP2C19 (unknown origin)
50044445	10	ChEMBL_1362438 (CHEMBL3292794)	Inhibition of CYP1A2 (unknown origin)
50044445	11	ChEMBL_1362418 (CHEMBL3292526)	Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis
50044446	1	ChEMBL_1362800 (CHEMBL3295497)	Inhibition of SIRT6 (unknown origin)
50044446	2	ChEMBL_1362801 (CHEMBL3295498)	Inhibition of SIRT1 (unknown origin)
50044446	3	ChEMBL_1362802 (CHEMBL3295499)	Inhibition of SIRT2 (unknown origin)
50044447	1	ChEMBL_1363173 (CHEMBL3293888)	Binding affinity to human recombinant VEGF165 by surface plasmon resonance assay
50044447	2	ChEMBL_1363175 (CHEMBL3293890)	Binding affinity to human recombinant HBEGF by surface plasmon resonance assay
50044447	3	ChEMBL_1363176 (CHEMBL3293891)	Binding affinity to human recombinant FGF7 by surface plasmon resonance assay
50044447	4	ChEMBL_1363177 (CHEMBL3293892)	Binding affinity to human recombinant FGF4 by surface plasmon resonance assay
50044447	5	ChEMBL_1363178 (CHEMBL3293893)	Binding affinity to human recombinant FGF2 by surface plasmon resonance assay
50044447	6	ChEMBL_1363179 (CHEMBL3293894)	Binding affinity to human recombinant FGF1 by surface plasmon resonance assay
50044447	7	ChEMBL_1363182 (CHEMBL3293897)	Binding affinity to human recombinant IFN-gamma by surface plasmon resonance assay
50044447	8	ChEMBL_1363183 (CHEMBL3293898)	Binding affinity to human recombinant CXCL12 by surface plasmon resonance assay
50044447	9	ChEMBL_1363184 (CHEMBL3293899)	Binding affinity to human recombinant CXCL4 by surface plasmon resonance assay
50044447	10	ChEMBL_1363185 (CHEMBL3293900)	Binding affinity to human recombinant CXCL2 by surface plasmon resonance assay
50044447	11	ChEMBL_1363186 (CHEMBL3293901)	Binding affinity to human recombinant CCL11 by surface plasmon resonance assay
50044447	12	ChEMBL_1363187 (CHEMBL3293902)	Binding affinity to human recombinant CCL5 by surface plasmon resonance assay
50044447	13	ChEMBL_1363188 (CHEMBL3293903)	Binding affinity to human recombinant CCL2 by surface plasmon resonance assay
50044447	14	ChEMBL_1363189 (CHEMBL3293904)	Binding affinity to human recombinant WNT3A by surface plasmon resonance assay
50044447	15	ChEMBL_1363190 (CHEMBL3293905)	Binding affinity to human recombinant Shh by surface plasmon resonance assay
50044447	16	ChEMBL_1363191 (CHEMBL3293906)	Binding affinity to human recombinant sFRP1 by surface plasmon resonance assay
50044447	17	ChEMBL_1363192 (CHEMBL3293907)	Binding affinity to human recombinant BMP6 by surface plasmon resonance assay
50044447	18	ChEMBL_1363193 (CHEMBL3293908)	Binding affinity to human recombinant BMP4 by surface plasmon resonance assay
50044447	19	ChEMBL_1363194 (CHEMBL3293909)	Binding affinity to human recombinant BMP2 by surface plasmon resonance assay
50044447	20	ChEMBL_1363195 (CHEMBL3294143)	Inhibition of recombinant heparanase (unknown origin) using biotin-cryptate-labeled heparan sulfate as substrate preincubated for 15 mins prior to substrate challenge by TR-FRET assay
50044448	1	ChEMBL_1363202 (CHEMBL3294150)	Inhibition of HIV-1 overall integrase activity using 5'-digoxigenin-labeled GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA
50044448	2	ChEMBL_1363226 (CHEMBL3294174)	Inhibition of recombinant CYP1A2 (unknown origin) using 7-ethoxy-3-cyanocoumarin as substrate
50044448	3	ChEMBL_1363227 (CHEMBL3294175)	Inhibition of recombinant CYP2C9 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate
50044448	4	ChEMBL_1363228 (CHEMBL3294176)	Inhibition of recombinant CYP2C19 (unknown origin) using 7-ethoxy-3-cyanocoumarin as substrate
50044448	5	ChEMBL_1363224 (CHEMBL3294172)	Inhibition of recombinant CYP2D6 (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate
50044448	6	ChEMBL_1363229 (CHEMBL3294177)	Inhibition of recombinant CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50044448	7	ChEMBL_1363584 (CHEMBL3292600)	Inhibition of human ERG tail current by patch clamp method
50044449	1	ChEMBL_1363615 (CHEMBL3292878)	Displacement of [125I]-hCGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis
50044449	2	ChEMBL_1363616 (CHEMBL3292879)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of alpha-CGRP-induced c-AMP formation after 15 mins by radioimmunoassay
50044450	1	ChEMBL_1363618 (CHEMBL3292881)	Inhibition of recombinant human MAO-A using kynuramine as substrate assessed as 4-hydroxyquinoline production after 30 mins by fluorescence spectrophotometry analysis
50007222	4	ChEMBL_2487 (CHEMBL617374)	Agonist activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]5-HT radioligand
50007222	8	ChEMBL_2803 (CHEMBL617655)	Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast 5-hydroxytryptamine 2C receptor
50044450	2	ChEMBL_1363619 (CHEMBL3292882)	Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as 4-hydroxyquinoline production after 30 mins by fluorescence spectrophotometry analysis
50007222	2	ChEMBL_1307 (CHEMBL616684)	Ability to displace [3H]-8-OH-DPAT from rat hippocampal homogenate 5-hydroxytryptamine 1A receptor
50007222	11	ChEMBL_2961 (CHEMBL617901)	Antagonist activity at cloned human 5-hydroxytryptamine 2C receptor using [3H]mesulergine radioligand
50007222	9	ChEMBL_2282 (CHEMBL617068)	Antagonist activity at cloned human 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin radioligand
50007222	1	ChEMBL_2562 (CHEMBL617109)	Effect on phosphoinositide hydrolysis in NIH 3T3 fibroblast expressing 5-hydroxytryptamine 2A receptor
50044450	3	ChEMBL_1363625 (CHEMBL3293143)	Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis
50044450	4	ChEMBL_1363626 (CHEMBL3293144)	Competitive inhibition of recombinant human MAO-B using kynuramine as substrate by Lineweaver-Burk plot analysis
50044451	1	ChEMBL_1363988 (CHEMBL3295575)	Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by fluorescence spectrophotometric analysis
50044451	2	ChEMBL_1363989 (CHEMBL3295576)	Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay
50044452	1	ChEMBL_1363990 (CHEMBL3295577)	Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method
50007225	3	ChEMBL_54959 (CHEMBL669619)	Inhibitory concentration against rat liver dihydrofolate reductase (DHFR)
50044453	1	ChEMBL_1363992 (CHEMBL3295579)	Antagonist activity at rat TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced [45Ca2+] uptake by liquid scintillation counting
50044453	2	ChEMBL_1363991 (CHEMBL3295578)	Displacement of [3H]RTX from rat TRPV1 after 60 mins by competitive binding assay
50044454	1	ChEMBL_1364012 (CHEMBL3295851)	Inhibition of rat mGlu2 receptor transfected in HEK293 cells coexpressing mouse Galpha15 assessed as decrease in glutamate-induced calcium signaling by fluorescence plate reader analysis in presence of glutamate at EC76 concentration
50044454	2	ChEMBL_1364013 (CHEMBL3295852)	Inhibition of rat mGlu3 receptor transfected in HEK293 cells coexpressing mouse Galpha15 assessed as decrease in glutamate-induced calcium signaling by fluorescence plate reader analysis in presence of glutamate at EC87 concentration
50044455	1	ChEMBL_1364397 (CHEMBL3294266)	Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay
50044455	2	ChEMBL_1364393 (CHEMBL3294262)	Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis
50044455	3	ChEMBL_1364392 (CHEMBL3294261)	Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis
50044456	1	ChEMBL_1364398 (CHEMBL3294267)	Inhibition of C-terminal His-tagged KSP ATPase motor domain (unknown origin) expressed in bacteria incubated for 30 mins prior to ATP addition measured after 15 mins by luminescence assay
50044457	1	ChEMBL_1364405 (CHEMBL3294517)	Displacement of [3H]PDBu from recombinant human PKC-alpha after 5 mins by scintillation counting analysis in presence of phosphatidylserine
50044457	2	ChEMBL_1364406 (CHEMBL3294518)	Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine
50044457	3	ChEMBL_1364407 (CHEMBL3294519)	Displacement of [3H]PDBu from recombinant human GFP-tagged RasGRP3 expressed in Escherichia coli BL21 after 5 mins by scintillation counting analysis in presence of phosphatidylserine
50044457	4	ChEMBL_1364410 (CHEMBL3294522)	Displacement of [3H]PDBu from recombinant RasGRP1 C1 domain (unknown origin) after 10 mins by scintillation counting analysis in presence of phosphatidylserine
50044458	1	ChEMBL_1364433 (CHEMBL3294545)	Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide
50044458	2	ChEMBL_1364435 (CHEMBL3294776)	Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate
50044458	3	ChEMBL_1364436 (CHEMBL3294777)	Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide
50044458	6	ChEMBL_1364809 (CHEMBL3294317)	Inhibition of CYP3A4 (unknown origin)
50044458	7	ChEMBL_1364810 (CHEMBL3294546)	Inhibition of CYP2D6 (unknown origin)
50044458	8	ChEMBL_1364811 (CHEMBL3294547)	Inhibition of CYP2C9 (unknown origin)
50044458	9	ChEMBL_1364812 (CHEMBL3294548)	Inhibition of CYP2C19 (unknown origin)
50011238	2	ChEMBL_2012347 (CHEMBL4665925)	Inhibition of CYP1A2 (unknown origin)
50011238	3	ChEMBL_2012348 (CHEMBL4665926)	Inhibition of CYP2C9 (unknown origin)
50011238	4	ChEMBL_2012349 (CHEMBL4665927)	Inhibition of CYP2D6 (unknown origin)
50011238	5	ChEMBL_2012350 (CHEMBL4665928)	Inhibition of CYP3A4 (unknown origin)
50011238	6	ChEMBL_2012357 (CHEMBL4665935)	Positive allosteric modulator activity at rat mGlu4 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay
50011238	7	ChEMBL_2012359 (CHEMBL4665937)	Inhibition of CYP2C19 (unknown origin)
50011240	1	ChEMBL_2012438 (CHEMBL4666016)	Antagonist activity at recombinant androgen receptor (unknown origin) transfected in human LNCaP cells co-transfected with PSA and luciferase incubated for 24 hrs by dual luciferase reporter gene assay
50011240	2	ChEMBL_2012439 (CHEMBL4666017)	Antagonist activity at recombinant glucocorticoid receptor (unknown origin) transfected in human PC-3 cells co-transfected with MMTV and luciferase incubated for 24 hrs by dual luciferase reporter gene assay
50011241	1	ChEMBL_2012563 (CHEMBL4666141)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma-33P]ATP
50044459	1	ChEMBL_1364824 (CHEMBL3294560)	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate by spectrophotometer analysis
50044459	2	ChEMBL_1364823 (CHEMBL3294559)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate by spectrophotometer analysis
50007235	3	ChEMBL_105891 (CHEMBL717752)	Agonist activity against Metabotropic glutamate receptor 2 expressed in HEK 293 cells was evaluated by measuring total inositol phosphate accumulation
50007235	2	ChEMBL_106545 (CHEMBL715490)	Agonist activity against Metabotropic glutamate receptor 4 expressed in HEK 293 cells was evaluated by measuring total inositol phosphate accumulation
50007237	1	ChEMBL_76422 (CHEMBL685869)	Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells. 
50007237	2	ChEMBL_70733 (CHEMBL680526)	In vitro inhibition of rat farnesyltransferase.
50007240	2	ChEMBL_30811 (CHEMBL645086)	Inhibitory activity against adenosine deaminase
50007240	1	ChEMBL_30783 (CHEMBL645060)	Apparent binding constant against adenosine deaminase
50044460	1	ChEMBL_1365207 (CHEMBL3292957)	Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cell microsomes assessed as reduction in PGE2 production using PGH2 as substrate treated for 15 mins prior to substrate addition measured after 1 min by RP-HPLC analysis
50044461	1	ChEMBL_1365242 (CHEMBL3292992)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor by PDSP assay
50044461	2	ChEMBL_1365243 (CHEMBL3292993)	Displacement of [3H]ketanserin from rat 5-HT2A receptor by PDSP assay
50037403	10	ChEMBL_310308 (CHEMBL833264)	Inhibition of forskolin-induced cAMP accumulation in CHO-K1 cells expressing human sst2 receptor
50044461	3	ChEMBL_1365244 (CHEMBL3293209)	Displacement of [3H]LSD from human 5-HT2B receptor by PDSP assay
50044461	4	ChEMBL_1365245 (CHEMBL3293210)	Displacement of [3H]mesulergine from rat 5-HT2C receptor by PDSP assay
50044461	5	ChEMBL_1365248 (CHEMBL3293213)	Displacement of [3H]LSD from human 5-HT7 receptor by PDSP assay
50044461	6	ChEMBL_1365249 (CHEMBL3293214)	Displacement of [3H]pyrilamine from human histamine H1 receptor by PDSP assay
50044461	7	ChEMBL_1365250 (CHEMBL3293215)	Displacement of [3H]prazosin from human adrenergic-alpha1A receptor by PDSP assay
50044461	8	ChEMBL_1365251 (CHEMBL3293216)	Displacement of [3H]clonidine from human adrenergic-alpha2A receptor by PDSP assay
50044461	9	ChEMBL_1365252 (CHEMBL3293217)	Displacement of [3H]clonidine from human adrenergic-alpha2C receptor by PDSP assay
50044461	10	ChEMBL_1365256 (CHEMBL3293221)	Displacement of [3H]nisoxetine from human NET by PDSP assay
50037403	13	ChEMBL_302432 (CHEMBL827130)	Inhibitory constant against human sst2 receptor at a dose of 10 uM
50044461	11	ChEMBL_1365625 (CHEMBL3297472)	Binding affinity to sigma-1 receptor (unknown origin) by PDSP assay
50037403	9	ChEMBL_302379 (CHEMBL830347)	Binding affinity against human sst5 receptor at a dose of 10 uM
50044461	12	ChEMBL_1365237 (CHEMBL3292987)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay
50044461	13	ChEMBL_1365235 (CHEMBL3292985)	Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay
50032138	9	ChEMBL_651370 (CHEMBL1227190)	Inhibition of thrombin
50032138	14	ChEMBL_651359 (CHEMBL1227179)	Binding affinity to factor 10a
50044461	14	ChEMBL_1365236 (CHEMBL3292986)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay
50032138	15	ChEMBL_651362 (CHEMBL1227182)	Binding affinity to thrombin
50032138	12	ChEMBL_651359 (CHEMBL1227179)	Binding affinity to factor 10a
50005768	7	ChEMBL_217789 (CHEMBL824050)	Displacement of [3H]-Ro- 15-4513 from alpha-6-beta-2-gamma-2 GABA-A receptor subunits expressed in Sf9 cell membranes
50006417	17	ChEMBL_70397 (CHEMBL683023)	Binding affinity towards [3H]Fnz in alpha-1-beta-2-gamma-2 subtype was measured
50008191	7	ChEMBL_143549 (CHEMBL755322)	Compound was evaluated for agonist activity against activated human recombinant aNicotinic acetylcholine receptor alpha4-beta2 in Xenopus Oocytes
50044461	15	ChEMBL_1365238 (CHEMBL3292988)	Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assay
50008191	8	ChEMBL_143228 (CHEMBL750089)	Compound was evaluated for agonist activity against activated human recombinant Nicotinic acetylcholine receptor alpha2-beta4 in Xenopus Oocytes
50008264	10	ChEMBL_143630 (CHEMBL752791)	Inhibition of hepatitis C virus (HCV) NS3 protease.
50008264	9	ChEMBL_96776 (CHEMBL705402)	Compound was tested for inhibition of human leucocyte elastase (HLE)
50008264	8	ChEBML_152345	Compound was tested for inhibition of porcine pancreatic elastase (PPE)
50044461	16	ChEMBL_1365239 (CHEMBL3292989)	Displacement of [3H]SCH23390 from human dopamine D5 receptor by PDSP assay
50007245	2	ChEMBL_52406 (CHEMBL665909)	Inhibition of cPLA2 measuring Calcium ionophore A-23,187-induced arachidonic acid release from bovine platelets with HPLC/UV detection
50007245	1	ChEMBL_52407 (CHEMBL665910)	Inhibition of cPLA2 measuring Calcium ionophore A-23,187-induced arachidonic acid release from bovine platelets with HPLC/UV detection.
50007246	1	ChEMBL_37173 (CHEMBL652314)	In vitro inhibition of ADP-induced (2.5 uM) baboon platelet aggregation.
50007247	2	ChEMBL_48609 (CHEMBL659590)	Inhibition of [3H]- pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex membranes
50007247	1	ChEMBL_47650 (CHEMBL657362)	Inhibition of [3H]pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas
50007248	4	ChEMBL_63999 (CHEMBL673108)	Inhibitory activity against human leukocyte elastase
50007248	2	ChEMBL_45530 (CHEMBL660233)	Inhibition of cathepsin G at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Suc-Ala-Ala-Pro-Phe-pNA.
50007248	3	ChEMBL_208499 (CHEMBL811974)	Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA.
50007249	2	ChEMBL_63661 (CHEMBL675717)	Inhibition of human leukocyte elastase
50007249	1	ChEMBL_156952 (CHEMBL762662)	Inhibition of porcine pancreatic elastase
50007251	1	ChEMBL_207780 (CHEMBL880940)	Activity against human platelet microsome Thromboxane synthase
50007256	8	ChEMBL_51547 (CHEMBL661221)	Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uM
50007256	9	ChEMBL_51735 (CHEMBL665270)	Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uM
50007256	2	ChEMBL_51892 (CHEMBL665753)	Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uM
50007256	4	ChEMBL_51893 (CHEMBL665754)	Inhibition of heterologously expressed human Cytochrome P450 3A at 1 uM
50007256	10	ChEMBL_51361 (CHEMBL663693)	Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uM
50007256	6	ChEMBL_51894 (CHEMBL665755)	Inhibition of heterologously expressed human Cytochrome P450 3A at 100 uM
50007256	11	ChEMBL_51721 (CHEMBL663536)	Inhibition of heterologously expressed human Cytochrome P450 2D6 at 10 uM
50007256	7	ChEMBL_51534 (CHEMBL660394)	Inhibition of heterologously expressed human Cytochrome P450 2C9 at 100 uM
50007256	5	ChEMBL_51369 (CHEMBL663700)	Inhibition of heterologously expressed human Cytochrome P450 1A2 at 500 uM
50044462	1	ChEMBL_1365630 (CHEMBL3297477)	Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by isothermal titration calorimetry
50044462	2	ChEMBL_1365627 (CHEMBL3297474)	Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method
50007258	12	ChEMBL_1611 (CHEMBL616636)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells
50044462	3	ChEMBL_1365631 (CHEMBL3297478)	Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation
50007258	11	ChEMBL_2078 (CHEMBL616721)	Compound was evaluated for the affinity at 5-hydroxytryptamine 1F receptor
50044462	4	ChEMBL_1365628 (CHEMBL3297475)	Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after transfection measured 48 hrs post-transfection by dual luciferase reporter assay
50007258	7	ChEMBL_2071 (CHEMBL616715)	Compound was evaluated for the affinity at 5-hydroxytryptamine 1E receptor
50007258	10	ChEMBL_2467 (CHEMBL617355)	Compound was evaluated for the affinity at 5-hydroxytryptamine 2A receptor
50007258	3	ChEMBL_3459 (CHEMBL618143)	Compound was evaluated for the affinity at 5-hydroxytryptamine 3 receptor
50007258	9	ChEMBL_3057 (CHEMBL620675)	Compound was evaluated for the affinity at 5-hydroxytryptamine 2C receptor
50044463	1	ChEMBL_1366447 (CHEMBL3296347)	Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay
50007259	2	ChEMBL_207644 (CHEMBL811626)	Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assay
50044463	2	ChEMBL_1366444 (CHEMBL3296344)	Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay
50007259	1	ChEMBL_158012 (CHEMBL768438)	Inhibition of cAMP formation by carbacyclin in Prostaglandin I2 receptor (IP) assay
50044463	3	ChEMBL_1366453 (CHEMBL3296353)	Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by direct assay in presence of oxygen depleting system
50044463	4	ChEMBL_1366451 (CHEMBL3296351)	Binding affinity to rat DHODH by isothermal titration calorimetry
50044463	5	ChEMBL_1366448 (CHEMBL3296348)	Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorotate as substrate by DCIP dye-based assay
50007261	4	ChEMBL_192825 (CHEMBL872975)	Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate
50007261	1	ChEMBL_41408 (CHEMBL653528)	In vitro inhibition of Butyrylcholinesterase from human plasma.
50007261	3	ChEMBL_192826 (CHEMBL797692)	Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate
50007261	2	ChEMBL_29098 (CHEMBL636836)	In vitro inhibition of acetylcholinesterase, isolated from rat brain.
50044464	1	ChEMBL_1366786 (CHEMBL3297110)	Inhibition of human lysosomal beta-glucocerebrosidase
50044464	2	ChEMBL_1366787 (CHEMBL3297111)	Inhibition of human lysosomal beta-glucocerebrosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate by UV spectrophotometric analysis
50044464	3	ChEMBL_1366788 (CHEMBL3297223)	Inhibition of Agrobacterium sp. beta glucosidase using 2,4-dinitrophenyl-beta-D-glucopyranoside as substrate measured for 3 mins
50044464	4	ChEMBL_1366789 (CHEMBL3297224)	Inhibition of Agrobacterium sp. beta glucosidase
50044465	1	ChEMBL_1361025 (CHEMBL3295403)	Displacement of [3H]imipramine from human recombinant SERT expressed in CHO cells
50044465	2	ChEMBL_1361026 (CHEMBL3295404)	Inhibition of human cloned ERG expressed in CHO cells assessed as inhibition of potassium channel current by automated patch clamp assay
50044465	3	ChEMBL_1366820 (CHEMBL3297330)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO cells
50044465	4	ChEMBL_1366821 (CHEMBL3297331)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells
50044465	5	ChEMBL_1366822 (CHEMBL3297332)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEK293 cells
50044465	6	ChEMBL_1366823 (CHEMBL3297333)	Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells
50044465	7	ChEMBL_1366824 (CHEMBL3297334)	Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in HEK293 cells
50044465	8	ChEMBL_1366825 (CHEMBL3297335)	Displacement of [3H]methylspiperone from human recombinant D2S receptor expressed in HEK293 cells
50044465	9	ChEMBL_1366826 (CHEMBL3297336)	Displacement of [3H]methylspiperone from human recombinant D3 receptor expressed in CHO cells
50044465	10	ChEMBL_1366827 (CHEMBL3297337)	Displacement of [3H]methylspiperone from human recombinant D4 receptor expressed in CHO cells
50044465	11	ChEMBL_1366828 (CHEMBL3297338)	Displacement of [3H]SCH23390 from human recombinant D1 receptor expressed in CHO cells
50044465	12	ChEMBL_1366829 (CHEMBL3297339)	Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells
50044465	13	ChEMBL_1366830 (CHEMBL3297340)	Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells
50044465	14	ChEMBL_1366831 (CHEMBL3297341)	Displacement of [3H]pyrilamine from human recombinant H1 receptor expressed in HEK293 cells
50044465	15	ChEMBL_1366832 (CHEMBL3297342)	Displacement of [3H]pirenzepine from human recombinant M1 receptor expressed in CHO cells
50044465	16	ChEMBL_1366833 (CHEMBL3297343)	Displacement of [3H]AF-DX384 from human recombinant M2 receptor expressed in CHO cells
50044465	17	ChEMBL_1361018 (CHEMBL3295396)	Displacement of [3H]4-DAMP from human recombinant M3 receptor expressed in CHO cells
50044465	18	ChEMBL_1361019 (CHEMBL3295397)	Displacement of [3H]4-DAMP from human recombinant M4 receptor expressed in CHO cells
50044465	19	ChEMBL_1361020 (CHEMBL3295398)	Displacement of [3H]4-DAMP from human recombinant M5 receptor expressed in CHO cells
50044465	20	ChEMBL_1361027 (CHEMBL3295405)	Antagonist activity at human recombinant 5-HT6 receptor assessed as inhibition of serotonin-induced cAMP accumulation
50044465	21	ChEMBL_1361028 (CHEMBL3295406)	Antagonist activity at human recombinant 5-HT7 receptor assessed as inhibition of serotonin-induced cAMP accumulation
50007265	1	ChEMBL_63776 (CHEMBL677218)	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50044465	22	ChEMBL_1361029 (CHEMBL3295407)	Antagonist activity at human recombinant 5-HT2A receptor assessed as inhibition of serotonin-induced inositol phosphate accumulation
50044465	23	ChEMBL_1361030 (CHEMBL3295408)	Antagonist activity at human recombinant 5-HT1A receptor assessed as inhibition of 8-OH-DPAT-induced response by cellular dielectric spectroscopy
50044465	24	ChEMBL_1361031 (CHEMBL3295409)	Antagonist activity at human recombinant 5-HT2C receptor assessed as inhibition of serotonin-induced inositol phosphate accumulation
50044465	25	ChEMBL_1361032 (CHEMBL3295410)	Antagonist activity at human recombinant at D2S receptor assessed as inhibition of dopamine-induced cAMP accumulation
50044465	26	ChEMBL_1361033 (CHEMBL3295665)	Antagonist activity at human recombinant at D3 receptor assessed as inhibition of dopamine-induced cAMP accumulation
50044465	27	ChEMBL_1361035 (CHEMBL3295667)	Antagonist activity at human recombinant at D1 receptor assessed as inhibition of dopamine-induced cAMP accumulation
50044465	28	ChEMBL_1361034 (CHEMBL3295666)	Antagonist activity at human recombinant at D4 receptor assessed as inhibition of dopamine-induced cAMP accumulation
50044465	29	ChEMBL_1361036 (CHEMBL3295668)	Antagonist activity at human recombinant alpha1A adrenoceptor assessed as inhibition of epinephrine-induced intracellular Ca2+ release
50044465	30	ChEMBL_1361037 (CHEMBL3295669)	Antagonist activity at human recombinant alpha2C adrenoceptor assessed as inhibition of epinephrine-induced cAMP accumulation
50044465	31	ChEMBL_1361038 (CHEMBL3295670)	Antagonist activity at human recombinant H1 receptor assessed as inhibition of histamine-induced intracellular Ca2+ release
50044465	32	ChEMBL_1366809 (CHEMBL3297244)	Displacement of [3H]N-methylspiperone from human recombinant D2 receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis
50044465	33	ChEMBL_1366808 (CHEMBL3297243)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis
50044465	34	ChEMBL_1366807 (CHEMBL3297242)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analysis
50044465	35	ChEMBL_1366806 (CHEMBL3297241)	Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis
50007277	5	ChEMBL_140845 (CHEMBL752329)	Binding affinity in rat brain cortical membranes by the displacement of [3H]- DCKA at N-methyl-D-aspartate glutamate receptor 1
50007277	2	ChEMBL_140849 (CHEMBL752333)	Inhibition of binding of [3H]DCKA to N-methyl-D-aspartate glutamate receptor 1 in rat brain membrane
50007279	2	ChEMBL_54964 (CHEMBL666695)	Inhibition of rat liver Dihydrofolate Reductase
50007281	2	ChEMBL_143849 (CHEMBL747206)	Affinity for human Neuropeptide Y receptor type 2
50007281	4	ChEMBL_144126 (CHEMBL750099)	Affinity for human Neuropeptide Y receptor type 5
50007281	5	ChEMBL_143981 (CHEMBL752581)	Affinity for human Neuropeptide Y receptor type 4
50007281	1	ChEMBL_143823 (CHEMBL748547)	Ability to reverse Neuropeptide Y receptor type 1-induced inhibition of forskolin-induced inhibition of forskolin-stimulated cAMP
50007283	1	ChEMBL_202592 (CHEMBL806416)	Inhibition of [125I]phosphopeptide binding to Src SH2 domain.
50007284	5	ChEMBL_208362 (CHEMBL813672)	In vitro inhibitory activity against human thrombin(IIa)
50007284	4	ChEMBL_48806 (CHEMBL662831)	In vitro inhibitory activity against Coagulation factor X
50007284	3	ChEMBL_48805 (CHEMBL662830)	In vitro inhibitory activity against Coagulation factor X
50044466	1	ChEMBL_1361046 (CHEMBL3295678)	Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis
50044466	2	ChEMBL_1361049 (CHEMBL3295681)	Antagonist activity at ER in human MCF7:WS8 cells assessed as inhibition of estradiol-induced cell growth by measuring DNA level after 7 days by fluorescence analysis
50007284	1	ChEMBL_212512 (CHEMBL817577)	In vitro iinhibitory activity against bovine trypsin
50044467	1	ChEMBL_1361073 (CHEMBL3291527)	Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis
50007286	1	ChEMBL_71736 (CHEMBL680259)	Inhibition of binding of radiolabeled histrelin to Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary gland membranes
50044467	2	ChEMBL_1361369 (CHEMBL3293768)	Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis
50044467	3	ChEMBL_1361370 (CHEMBL3293769)	Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis
50044467	4	ChEMBL_1361371 (CHEMBL3293770)	Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis
50044467	5	ChEMBL_1361372 (CHEMBL3293771)	Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis
50044468	1	ChEMBL_1361381 (CHEMBL3293780)	Inhibition of S1PL (unknown origin)
50044468	2	ChEMBL_1361382 (CHEMBL3293781)	Inhibition of human recombinant S1PL (62 to 568) expressed in Sf9 insect cells using S1P as substrate after 1 hr
50044468	3	ChEMBL_1361383 (CHEMBL3293782)	Antagonist activity at smoothened (unknown origin)
50044469	1	ChEMBL_1361407 (CHEMBL3294031)	Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity
50044469	2	ChEMBL_1361409 (CHEMBL3294033)	Inhibition of human ERG by patch clamp electrophysiological analysis
50007290	1	ChEMBL_157766 (CHEMBL767669)	5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)
50044470	1	ChEMBL_1362067 (CHEMBL3294392)	Inhibition of FLT3 kinase (unknown origin)
50044470	2	ChEMBL_1361754 (CHEMBL3292179)	Inhibition of IKKbeta kinase (unknown origin) by Lance ULight system
50044470	3	ChEMBL_1361755 (CHEMBL3292180)	Inhibition of IKKbeta kinase (unknown origin) by Radioisotope system
50044471	1	ChEMBL_1362082 (CHEMBL3294635)	Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 mins
50044471	2	ChEMBL_1362083 (CHEMBL3294636)	Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine after 48 hrs by HPLC analysis
50044472	1	ChEMBL_1362099 (CHEMBL3294652)	Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay
50044473	2	ChEMBL_1362121 (CHEMBL3294893)	Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset of inhibition of electrically stimulated contraction
50044473	3	ChEMBL_1362122 (CHEMBL3294894)	Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction
50044473	6	ChEMBL_1362439 (CHEMBL3292795)	Agonist activity at human beta2 receptor in BEAS-2B cells assessed as cAMP accumulation by radioimmunoassay
50007295	2	ChEMBL_211335 (CHEMBL820778)	Inhibition of tubulin polymerization
50007295	1	ChEMBL_211331 (CHEMBL820774)	Inhibition of tubulin polymerization
50007298	9	ChEMBL_33065 (CHEMBL647964)	Binding affinity against human adrenergic receptor subtype Alpha-2A adrenergic receptor using [3H]rauwolscine as radioligand
50007298	10	ChEMBL_34330 (CHEMBL648113)	Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]prazosin as radioligand
50007298	5	ChEMBL_33607 (CHEMBL652814)	Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]prazosin as radioligand
50007298	11	ChEMBL_61285 (CHEMBL670782)	Binding affinity against Dopamine receptor D2 using [3H]spiroperidol as radioligand
50007298	12	ChEMBL_33526 (CHEMBL648618)	Binding affinity against human Alpha-2C adrenergic receptor using [3H]rauwolscine as radioligand
50007298	8	ChEMBL_32432 (CHEMBL873049)	Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]prazosin as radioligand
50007298	4	ChEMBL_33381 (CHEMBL648742)	Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand
50007298	3	ChEMBL_37681 (CHEMBL647764)	Binding affinity against Beta-1 adrenergic receptor using [3H]DHA as radioligand
50007298	2	ChEMBL_2239 (CHEMBL617184)	Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin as radioligand
50007298	7	ChEMBL_58986 (CHEMBL668651)	Binding affinity against Dopamine receptor D1 using [3H]SCH-23390 as radioligand
50007298	6	ChEMBL_557 (CHEMBL615577)	Binding affinity against 5-hydroxytryptamine 1 receptor using [3H]5-HT as radioligand
50007299	1	ChEMBL_81576 (CHEMBL689336)	Dissociation constant after binding to human papillomavirus E2 DNA-binding domain (DBD) by observing the changes in [15N]-HSQC spectra.
50007302	6	ChEMBL_212729 (CHEMBL818186)	Binding affinity for human pancreatic trypsin
50007302	4	ChEMBL_49752 (CHEMBL662084)	Binding affinity for human pancreatic Chymotrypsinogen
50007302	5	ChEMBL_152313 (CHEMBL756766)	Binding affinity for porcine Pancreatic elastase
50007302	2	ChEMBL_45632 (CHEMBL655442)	Binding affinity for carboxypeptidase A
50007302	1	ChEMBL_45360 (CHEMBL661896)	Binding affinity for human leukocyte cathepsin G
50044474	1	ChEMBL_1362445 (CHEMBL3292801)	Inhibition of human recombinant carbonic anhydrase 1 pretreated for 15 mins by stopped flow CO2 hydrase assay
50044474	2	ChEMBL_1362446 (CHEMBL3292802)	Inhibition of human recombinant carbonic anhydrase 2 pretreated for 15 mins by stopped flow CO2 hydrase assay
50044474	3	ChEMBL_1362447 (CHEMBL3292803)	Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay
50044474	4	ChEMBL_1362449 (CHEMBL3292805)	Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay
50044474	5	ChEMBL_1362451 (CHEMBL3292807)	Inhibition of human recombinant MMP-2 pretreated for 30 mins measured 2 to 4 hrs after Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition by fluorescence analysis
50044474	6	ChEMBL_1362448 (CHEMBL3292804)	Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay
50044475	1	ChEMBL_1362453 (CHEMBL3292809)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50044475	2	ChEMBL_1362461 (CHEMBL3292817)	Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measured after 4 mins by liquid scintillation counting analysis
50044475	3	ChEMBL_1362460 (CHEMBL3292816)	Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by liquid scintillation counting analysis
50044475	4	ChEMBL_1362471 (CHEMBL3293072)	Inhibition of MAO-A in rat liver homogenate preincubated for 240 mins
50044475	5	ChEMBL_1362474 (CHEMBL3293075)	Inhibition of MAO-B in rat liver homogenate preincubated for 240 mins
50044475	6	ChEMBL_1362459 (CHEMBL3292815)	Reversible inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50044475	7	ChEMBL_1362454 (CHEMBL3292810)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 25 mins by Ellman's method
50044475	8	ChEMBL_1362470 (CHEMBL3293071)	Inhibition of MAO-A in rat liver homogenate preincubated for 60 mins
50044475	9	ChEMBL_1362473 (CHEMBL3293074)	Inhibition of MAO-B in rat liver homogenate preincubated for 60 mins
50044475	10	ChEMBL_1362469 (CHEMBL3293070)	Inhibition of MAO-A in rat liver homogenate preincubated for 30 mins
50007308	7	ChEMBL_46639 (CHEMBL658895)	Binding affinity of compound towards Cannabinoid receptor 1 in rat brain synaptosomal membrane preparations
50044475	11	ChEMBL_1362472 (CHEMBL3293073)	Inhibition of MAO-B in rat liver homogenate preincubated for 30 mins
50044475	12	ChEMBL_1362467 (CHEMBL3292823)	Inhibition of MAO-A in rat liver homogenate
50044475	13	ChEMBL_1362468 (CHEMBL3293069)	Inhibition of MAO-B in rat liver homogenate
50044476	1	ChEMBL_1362841 (CHEMBL3295791)	Inhibition of chymotrypsin-like of human 20S proteasome using chromophoric Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
50044477	1	ChEMBL_1362844 (CHEMBL3295794)	Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodilation incubated for 10 mins prior to addition of 5-HT
50044477	2	ChEMBL_1362846 (CHEMBL3295796)	Displacement of [3H]-CGS-21680 from human adenosine A2A receptor expressed in HEK293 cells after 90 mins
50044478	1	ChEMBL_1362853 (CHEMBL3295803)	Inhibition of human recombinant PARP-1 after 1 hr by ELISA
50044478	2	ChEMBL_1362854 (CHEMBL3295804)	Inhibition of PARP-1 (unknown origin)
50007315	3	ChEMBL_50387 (CHEMBL662843)	Inhibition of rat testicual microsomal Cytochrome P450 17A1
50044479	1	ChEMBL_1362858 (CHEMBL3295808)	Inhibition of rat 11betaHSD1 assessed as reduction of cortisone to cortisol by ELISA
50044479	2	ChEMBL_1362859 (CHEMBL3291633)	Inhibition of full-length human 11betaHSD1 expressed in HEK293 cells assessed as cortisol level by competitive ELISA
50044479	3	ChEMBL_1362864 (CHEMBL3291638)	Inhibition of CYP3A4 (unknown origin)
50007315	4	ChEMBL_50389 (CHEMBL662845)	Inhibition of rat testicular microsomal Cytochrome P450 17A1
50007317	2	ChEMBL_47006 (CHEMBL658675)	Binding affinity for Cannabinoid receptor 2
50007317	3	ChEMBL_46453 (CHEMBL657901)	Binding affinity for cannabinoid receptor 1.
50007317	1	ChEMBL_46644 (CHEMBL658899)	Binding affinity for cannabinoid receptor 1.
50007317	4	ChEMBL_46985 (CHEMBL872426)	Binding affinity for Cannabinoid receptor 2
50044480	1	ChEMBL_1363286 (CHEMBL3294714)	Binding affinity to N-terminal His-tagged human VDR LBD canonical site (118 to 427) by direct isothermal titration calorimetric analysis
50044480	2	ChEMBL_1363287 (CHEMBL3294715)	Binding affinity to N-terminal His-tagged human VDR LBD low-affinity site (118 to 427) by direct isothermal titration calorimetric analysis
50044480	3	ChEMBL_1363288 (CHEMBL3294716)	Binding affinity to N-terminal His-tagged human VDR LBD (118 to 427) by reverse isothermal titration calorimetric analysis
50007319	3	ChEMBL_47829 (CHEMBL662571)	Half maximal inhibition of binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.
50044481	1	ChEMBL_1363651 (CHEMBL3293393)	Inhibition of TRKB (unknown origin) by off-chip mobility shift assay
50007319	1	ChEMBL_77051 (CHEMBL686879)	Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.
50044481	2	ChEMBL_1363643 (CHEMBL3293161)	Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay
50044481	3	ChEMBL_1364061 (CHEMBL3291740)	Inhibition of LTK (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	4	ChEMBL_1363645 (CHEMBL3293163)	Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA
50044481	5	ChEMBL_1363644 (CHEMBL3293162)	Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay
50044481	6	ChEMBL_1363646 (CHEMBL3293164)	Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50007323	4	ChEMBL_202074 (CHEMBL811506)	Sigma-1 binding assay was done in guinea pig membranes by labeling the binding site with [3H](+)-pentazocine
50007323	5	ChEMBL_62469 (CHEMBL679106)	Binding affinity for dopamine transporter was determined in rat striatal membrane.
50007323	2	ChEMBL_201824 (CHEMBL872699)	Binding affinity for serotonin transporter was determined in rat cortical membrane.
50007323	3	ChEMBL_201823 (CHEMBL805331)	Binding affinity for serotonin transporter was determined in rat cortical membrane
50044481	7	ChEMBL_1363653 (CHEMBL3293395)	Inhibition of human EML4-fused ALK F1174L mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	8	ChEMBL_1363654 (CHEMBL3293396)	Inhibition of human EML4-fused ALK C1156Y mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	9	ChEMBL_1363655 (CHEMBL3293397)	Inhibition of human EML4-fused ALK G1269A mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50007323	6	ChEMBL_62468 (CHEMBL678933)	Binding affinity for dopamine transporter was determined in rat striatal membrane
50044481	10	ChEMBL_1363656 (CHEMBL3293398)	Inhibition of human EML4-fused ALK S1206Y mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	11	ChEMBL_1363657 (CHEMBL3293399)	Inhibition of human EML4-fused ALK L1152R mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	12	ChEMBL_1363658 (CHEMBL3293400)	Inhibition of human EML4-fused ALK G1202R mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	13	ChEMBL_1363659 (CHEMBL3293401)	Inhibition of human EML4-fused ALK 1151Tins mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA
50044481	14	ChEMBL_1363660 (CHEMBL3293402)	Inhibition of ROS1 (unknown origin) by off-chip mobility shift assay
50044481	15	ChEMBL_1363661 (CHEMBL3293403)	Inhibition of FER (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	16	ChEMBL_1363662 (CHEMBL3293404)	Inhibition of FES (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	17	ChEMBL_1363663 (CHEMBL3293405)	Inhibition of PTK2B (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	18	ChEMBL_1363664 (CHEMBL3293406)	Inhibition of TNK2 (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	19	ChEMBL_1363665 (CHEMBL3293407)	Inhibition of PTK2 (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	20	ChEMBL_1363666 (CHEMBL3293408)	Inhibition of NRTK1 (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	21	ChEMBL_1363667 (CHEMBL3293409)	Inhibition of NRTK3 (unknown origin) by TR-FRET-based Z'-LYTE assay
50044481	22	ChEMBL_1363668 (CHEMBL3293410)	Inhibition of FRK (unknown origin) by TR-FRET-based Z'-LYTE assay
50007323	1	ChEMBL_202075 (CHEMBL811507)	Sigma-1 binding assay was done in guinea pig membranes by labeling the binding site with [3H](+)-pentazocine.
50044482	1	ChEMBL_1364074 (CHEMBL3291753)	Agonist activity at PPARalpha LBD (unknown origin) assessed as induction of PGC1alpha co-activator activity by TR-FRET analysis
50044482	2	ChEMBL_1364075 (CHEMBL3291754)	Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay
50044482	3	ChEMBL_1364076 (CHEMBL3292015)	Antagonist activity at PPARgamma (unknown origin)
50044483	1	ChEMBL_1364457 (CHEMBL3294798)	Inhibition of rat recombinant GluN1/2A expressed in Xenopus oocytes assessed as inhibition of glutamate/glycine-evoked channel current at holding potential of -80 mV by two-electrode voltage clamp technique
50044483	2	ChEMBL_1364458 (CHEMBL3294799)	Inhibition of rat recombinant GluA1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced channel current at holding potential of -80 mV by two-electrode voltage clamp technique
50044484	1	ChEMBL_1364479 (CHEMBL3295027)	Displacement of [3H]-PGD2 from human DP receptor expressed in HEK293 cells in presence of 50% human plasma by scintillation counting
50044484	2	ChEMBL_1364476 (CHEMBL3295024)	Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting
50044484	3	ChEMBL_1364477 (CHEMBL3295025)	Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK293 cells in presence of 50% human plasma by scintillation counting
50044484	4	ChEMBL_1364478 (CHEMBL3295026)	Displacement of [3H]-PGD2 from human DP receptor expressed in HEK293 cells in buffer solution with 0.5% bovine serum albumin by scintillation counting
50044485	1	ChEMBL_1364496 (CHEMBL3295044)	Displacement of N-alpha-fluorescein tagged eIF4G-derived peptide from GST-DN26-eIF4E (unknown origin) by fluorescence polarization assay
50007332	3	ChEMBL_152392 (CHEMBL765515)	Inhibition of Phenylethanolamine N-methyl-transferase (PNMT)
50044486	1	ChEMBL_1364501 (CHEMBL3295049)	Antagonist activity at PXR (unknown origin) transfected in human HepG2 cells assessed as inhibition of rifampicin-induced reporter gene transcription
50044486	2	ChEMBL_1364861 (CHEMBL3294824)	Antagonist activity at human PXR transfected in African green monkey CV1 cells assessed as inhibition of SR12813-induced transactivation after 24 hrs by luciferase reporter gene assay
50044486	3	ChEMBL_1364860 (CHEMBL3294823)	Antagonist activity at human PXR transfected in human HepG2 cells co-transfected with pSG5-RXR/pCMV-beta-galactosidase/p(CYP3A4)-TK-Luc assessed as inhibition of rifaximin-induced transactivation after 18 hrs by luciferase reporter gene assay
50007335	1	ChEMBL_62152 (CHEMBL675908)	Inhibitory activity of compound against [3H]BTCP binding to neuronal dopamine transporter of rat striatal membrane
50007336	3	ChEMBL_60064 (CHEMBL671378)	Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]spiperone.
50007336	2	ChEMBL_62121 (CHEMBL673442)	Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]spiperone.
50007336	1	ChEMBL_60661 (CHEMBL671698)	Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]spiperone
50044487	1	ChEMBL_1364910 (CHEMBL3295081)	Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay
50044487	2	ChEMBL_1364911 (CHEMBL3295082)	Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assay
50044487	3	ChEMBL_1365257 (CHEMBL3293222)	Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 cells by competitive binding assay
50044487	4	ChEMBL_1364908 (CHEMBL3295079)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells by competitive binding assay
50044487	5	ChEMBL_1364909 (CHEMBL3295080)	Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay
50008264	11	ChEMBL_143631 (CHEMBL752792)	Compound was tested for competitive inhibition of hepatitis C virus (HCV) serine protease
50007338	1	ChEMBL_159973 (CHEMBL768120)	Affinity against HIV protease
50007340	4	ChEMBL_72094 (CHEMBL680220)	Inhibitory activity against Geranylgeranyl transferase type I
50007340	2	ChEMBL_68482 (CHEMBL682231)	Inhibition of Farnesyltransferase
50007340	1	ChEMBL_68480 (CHEMBL682229)	Inhibition of Farnesyltransferase (FPT) in FPT Ras/TCA assay
50007341	3	ChEMBL_47404 (CHEMBL885063)	Activity against serine protease human liver Cathepsin B (cat-B )
50007341	6	ChEMBL_156950 (CHEMBL762660)	Activity against serine protease porcine pancreatic elastase (PPE)
50044487	6	ChEMBL_1365264 (CHEMBL3293229)	Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding assay
50007341	2	ChEMBL_33820 (CHEMBL646850)	Activity against serine protease bovine pancreatic Alpha-Chymotrypsinogen (BPC)
50007341	4	ChEMBL_63635 (CHEMBL675346)	Binding affinity for human leukocyte elastase(HLE) serine protease
50044487	7	ChEMBL_1365266 (CHEMBL3293231)	Antagonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment after 6 hrs by chemiluminescence assay
50008554	12	ChEMBL_215973 (CHEMBL821002)	Inhibition of integrin alphaIIb-beta3 adhesion to human citreated platelets
50007341	1	ChEMBL_64667 (CHEMBL674818)	Activity of compound against serine protease human leukocyte elastase(HLE)
50008554	14	ChEMBL_217120 (CHEMBL822940)	Inhibition of ICAM-1 transfected CHO cell adhesion to integrin alphaL-beta2 of human JY cells
50008554	18	ChEMBL_217614 (CHEMBL820357)	Inhibition of integrin alpha4-beta7 adhesion to JY cells
50008554	16	ChEMBL_217448 (CHEMBL823497)	Inhibition of integrin alpha4-beta1 adhesion to Jurkat cells
50044487	8	ChEMBL_1365268 (CHEMBL3293233)	Partial agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment after 6 hrs by chemiluminescence assay
50008554	15	ChEMBL_217629 (CHEMBL820372)	Inhibition of integrin alpha5-beta1 adhesion to K562 cells
50044487	9	ChEMBL_1365262 (CHEMBL3293227)	Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS binding assay
50007343	6	ChEMBL_58340 (CHEMBL671955)	Inhibitory binding of [3H]SCH-23390 to Dopamine receptor D1 in membranes from rat corpus striatum
50007343	7	ChEMBL_2591 (CHEMBL617459)	Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor from rat brain
50007343	4	ChEMBL_2809 (CHEMBL617839)	Inhibition of [3H]mesulergine binding to 5-hydroxytryptamine 2C receptor in rat brain membranes
50007343	3	ChEMBL_61608 (CHEMBL672750)	Inhibitory binding of [3H]spiperone to Dopamine receptor D2 in membranes from rat corpus striatum
50007343	2	ChEMBL_84701 (CHEMBL692705)	Inhibitory binding of [3H]mepyramine to histamine H1 receptors in rat brain membranes
50007343	1	ChEMBL_138292 (CHEMBL744323)	Inhibitory binding of [3H]pirenzepine to human Muscarinic acetylcholine receptor M1 in membranes from CHO-K1 cells
50008554	17	ChEMBL_216975 (CHEMBL872798)	Inhibition of ICAM-1 transfected CHO cell adhesion to integrin alphaL-beta2 of human JY cells
50008554	11	ChEMBL_217447 (CHEMBL823496)	Inhibition of integrin alpha1-beta1 adhesion using K562 cells expressing alpha-1
50044488	1	ChEMBL_1365275 (CHEMBL3293240)	Inhibition of BACE1 (unknown origin)
50044488	2	ChEMBL_1365274 (CHEMBL3293239)	Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis
50044488	3	ChEMBL_1365282 (CHEMBL3293247)	Inhibition of BACE1 (unknown origin) expressed in CHO cells coexpressing human APP gene assessed as inhibition of beta-amyloid synthesis
50044489	1	ChEMBL_1365286 (CHEMBL3292380)	Inhibition of human acrosin using N-alpha-benzoyl-L-arginine p-nitroanilide as substrate after 3 hrs by spectrophotometry
50044490	1	ChEMBL_1365289 (CHEMBL3292383)	Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin)
50044490	2	ChEMBL_1365290 (CHEMBL3292384)	Displacement of [3H]DPDPE from delta-opioid receptor (unknown origin)
50044490	3	ChEMBL_1365291 (CHEMBL3292385)	Displacement of [3H]U-69593 from kappa-opioid receptor (unknown origin)
50044490	4	ChEMBL_1365294 (CHEMBL3292388)	Agonist activity at delta-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay
50044490	5	ChEMBL_1365295 (CHEMBL3292389)	Agonist activity at mu-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay
50044490	6	ChEMBL_1365296 (CHEMBL3292390)	Agonist activity at kappa-opioid receptor (unknown origin) by [35S]GTPgammaS binding assay
50044491	1	ChEMBL_1366477 (CHEMBL3296431)	Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method
50007345	2	ChEMBL_105104 (CHEMBL715948)	Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells
50007345	1	ChEMBL_105269 (CHEMBL713141)	Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells
50044491	2	ChEMBL_1366479 (CHEMBL3296433)	Inhibition of BChE in horse serum using butyrylthiocholine iodide as substrate after 120 mins by Ellman's method
50044491	3	ChEMBL_1366481 (CHEMBL3296435)	Uncompetitive inhibition of Pacific electric ray AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50044492	1	ChEMBL_1361115 (CHEMBL3291830)	Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 mins
50044492	2	ChEMBL_1361114 (CHEMBL3291829)	Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 60 seconds
50044492	3	ChEMBL_1361113 (CHEMBL3291828)	Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 30 seconds
50044492	4	ChEMBL_1361112 (CHEMBL3291827)	Displacement of [125I]AZ11931285 from human P2Y12 receptor expressed in CHOK1 cell membrane after 10 seconds
50044492	5	ChEMBL_1361094 (CHEMBL3291548)	Antagonist activity P2Y12 receptor in human blood assessed as inhibition of ADP-induced platelet aggregation measured as residual platelet count after 5 mins by flow cytometric analysis
50044492	6	ChEMBL_1361099 (CHEMBL3291814)	Antagonist activity P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation after 5 to 90 mins by spectrophotometric analysis
50044492	7	ChEMBL_1361093 (CHEMBL3291547)	Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of ADP-induced [35S]GTPgammaS binding after 45 mins by scintillation counting analysis
50044493	1	ChEMBL_1361118 (CHEMBL3291833)	Inhibition of human recombinant RBP4-transthyretin interaction by FRET analysis
50044493	2	ChEMBL_1361117 (CHEMBL3291832)	Displacement of [3H]-retinol from human recombinant RBP4 by scintillation proximity assay
50007348	2	ChEMBL_197409 (CHEMBL799798)	Antagonistic activity towards retinoic acid receptor-alpha
50007348	1	ChEMBL_197408 (CHEMBL873431)	Agonistic activity towards retinoic acid receptor-alpha
50007348	23	ChEMBL_197416 (CHEMBL799805)	Synergistic activity towards retinoic acid receptor-alpha
50007348	19	ChEMBL_195499 (CHEMBL798920)	Synergistic activity towards retinoic acid receptor-beta
50007348	14	ChEMBL_195493 (CHEMBL873430)	Antagonistic activity towards retinoic acid receptor-beta
50007348	10	ChEMBL_196643 (CHEMBL800756)	Synergistic activity towards retinoid X receptor-gamma
50007348	7	ChEMBL_196640 (CHEMBL800753)	Agonistic activity towards retinoid X receptor-gamma
50007348	21	ChEMBL_196006 (CHEMBL797870)	Agonistic activity towards retinoic acid receptor-gamma
50007348	4	ChEMBL_196505 (CHEMBL798319)	Antagonistic activity towards retinoid X receptor-beta
50007348	15	ChEMBL_196487 (CHEMBL798301)	Selective activity towards retinoid X receptor-alpha
50007348	17	ChEMBL_196485 (CHEMBL798299)	Antagonistic activity towards retinoid X receptor-alpha
50007348	16	ChEMBL_196484 (CHEMBL798298)	Agonistic activity towards retinoid X receptor-alpha
50007348	6	ChEMBL_196507 (CHEMBL798321)	Synergistic activity towards retinoid X receptor-beta
50007348	8	ChEMBL_196641 (CHEMBL800754)	Antagonistic activity towards retinoid X receptor-gamma
50007348	3	ChEMBL_196015 (CHEMBL798025)	Selective activity towards retinoic acid receptor-gamma
50007348	11	ChEMBL_196504 (CHEMBL798318)	Agonistic activity towards retinoid X receptor-beta
50007348	12	ChEMBL_196488 (CHEMBL798302)	Synergistic activity towards retinoid X receptor-alpha
50007348	22	ChEMBL_196007 (CHEMBL797871)	Antagonistic activity towards retinoic acid receptor-gamma
50007348	13	ChEMBL_195492 (CHEMBL798914)	Agonistic activity towards retinoic acid receptor-beta
50007348	9	ChEMBL_196642 (CHEMBL800755)	Selective activity towards retinoid X receptor-gamma
50007348	5	ChEMBL_196506 (CHEMBL798320)	Selective activity towards retinoid X receptor-beta
50007348	20	ChEMBL_196483 (CHEMBL798297)	Agonistic activity towards retinoid X receptor-alpha
50007348	18	ChEMBL_195498 (CHEMBL798919)	Selective activity towards retinoic acid receptor-beta
50007348	24	ChEMBL_197415 (CHEMBL799804)	Selective activity towards retinoic acid receptor-alpha
50044494	1	ChEMBL_1361426 (CHEMBL3294050)	Agonist activity at human GPR40 expressed in CHO cells by calcium flux assay
50044494	2	ChEMBL_1361427 (CHEMBL3294051)	Agonist activity at rat GPR40 expressed in CHO cells by calcium flux assay
50044495	1	ChEMBL_1361474 (CHEMBL3294350)	Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before substrate addition measured after 60 mins by HTRF assay
50044496	1	ChEMBL_1361780 (CHEMBL3292465)	Agonist activity at estrogen receptor in human MCF7 cells assessed as induction of cell proliferation after 5 days by WST-8 assay
50044496	2	ChEMBL_1361782 (CHEMBL3292467)	Antagonist activity at estrogen receptor in human MCF7 cells assessed as inhibition of estradiol-induced cell proliferation after 5 days by WST-8 assay
50044497	1	ChEMBL_1361783 (CHEMBL3292468)	Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysis
50044497	2	ChEMBL_1361784 (CHEMBL3292469)	Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of [14C]-AMG uptake after 3 hrs by microbeta scintillation counting analysis
50044497	3	ChEMBL_1361785 (CHEMBL3292470)	Inhibition of CYP1A2 (unknown origin)
50044497	4	ChEMBL_1361786 (CHEMBL3292471)	Inhibition of CYP2B6 (unknown origin)
50044497	5	ChEMBL_1361787 (CHEMBL3292472)	Inhibition of CYP2C9 (unknown origin)
50044497	6	ChEMBL_1361788 (CHEMBL3292473)	Inhibition of CYP2C19 (unknown origin)
50044497	7	ChEMBL_1361789 (CHEMBL3292474)	Inhibition of CYP2D6 (unknown origin)
50044497	8	ChEMBL_1361790 (CHEMBL3292475)	Inhibition of CYP3A4 (unknown origin)
50044498	1	ChEMBL_1361819 (CHEMBL3292755)	Inhibition of TPH-2-mediated serotonin biosynthesis in rat PC12 cells after 48 hrs by RP-HPLC analysis
50044498	2	ChEMBL_1361824 (CHEMBL3292760)	Binding affinity to TPH-1 (unknown origin) by SPR analysis
50044498	3	ChEMBL_1361815 (CHEMBL3292751)	Inhibition of TPH-1-mediated serotonin biosynthesis in rat RBL2H3 cells after 48 hrs by RP-HPLC analysis
50044499	1	ChEMBL_1362135 (CHEMBL3294907)	Displacement of [3H]epibatadine from rat alpha3beta4 nAChR expressed in HEK293 cells by scintillation counting analysis
50044499	2	ChEMBL_1362136 (CHEMBL3294908)	Displacement of [3H]epibatadine from rat alpha4beta2 nAChR expressed in HEK293 cells by scintillation counting analysis
50044499	3	ChEMBL_1362137 (CHEMBL3294909)	Displacement of [3H]epibatadine from rat alpha7 nAChR expressed in HEK293 cells by scintillation counting analysis
50044500	1	ChEMBL_1362163 (CHEMBL3295172)	Inhibition of microsomal PGES1 isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis
50044500	2	ChEMBL_1362170 (CHEMBL3295179)	Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as PGE2 formation after 2 mins by LC-MS/MS analysis
50044500	3	ChEMBL_1362171 (CHEMBL3295180)	Inhibition of human COX-2 using arachidonic acid as substrate assessed as PGE2 formation after 2 mins by LC-MS/MS analysis
50044500	4	ChEMBL_1362172 (CHEMBL3295181)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC analysis
50044500	5	ChEMBL_1362173 (CHEMBL3295182)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by HPLC analysis
50044501	1	ChEMBL_1362174 (CHEMBL3295183)	Inhibition of beta-glucuronidase activity (unknown origin) assessed as p-nitrophenol formation after 30 mins using p-nitrophenyl-beta-D-glucuronide as substrate by spectrophotometry
50044502	1	ChEMBL_1362503 (CHEMBL3293104)	Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis
50044502	2	ChEMBL_1362504 (CHEMBL3293105)	Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis
50044503	1	ChEMBL_1362542 (CHEMBL3293571)	Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method
50044503	2	ChEMBL_1362543 (CHEMBL3293572)	Mixed type inhibition of human NPP1 using pNP-TMP as substrate assessed as dissociation constant for enzyme-inhibitor-substrate complex after 20 mins by Dixon and Cornish-Bowden method
50044503	3	ChEMBL_1362545 (CHEMBL3293574)	Agonist activity at human P2Y1 receptor expressed in human 1321N1 cells assessed as increase of intracellular calcium level after 30 mins using fura-2 AM by fluorescence assay
50044503	4	ChEMBL_1362532 (CHEMBL3293346)	Agonist activity at human P2Y11 receptor expressed in human 1321N1 cells assessed as increase of intracellular calcium level after 30 mins using fura-2 AM by fluorescence assay
50044504	1	ChEMBL_1362895 (CHEMBL3291669)	Induction of RNA polymerase-1 RPA194 subunit degradation in human U2OS cells after 3 hrs by epifluorescence microscopic analysis
50044505	1	ChEMBL_1362902 (CHEMBL3291944)	Inhibition of catalytic activity of human cloned COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scintillation counting
50044505	2	ChEMBL_1362903 (CHEMBL3291945)	Binding affinity to NHS-PEG4-Biotin-labeled human COMT after 1 hr by surface plasmon resonance assay
50044505	3	ChEMBL_1362908 (CHEMBL3291950)	Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scintillation counting
50044505	4	ChEMBL_1362909 (CHEMBL3291951)	Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scintillation counting
50008636	10	ChEMBL_70167 (CHEMBL683387)	Dissociation constant for activated Fibrinogen Receptor
50008636	11	ChEMBL_217641 (CHEMBL818513)	Inhibitory activity against alpha5-beta3 integrin
50008636	13	ChEMBL_70168 (CHEMBL683388)	Dissociation constant for activated Fibrinogen Receptor
50044506	1	ChEMBL_1362933 (CHEMBL3291975)	Inhibition of human ERG tail current after 5 mins by patch-clamp method
50044506	2	ChEMBL_1362936 (CHEMBL3291978)	Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay
50044506	3	ChEMBL_1362937 (CHEMBL3291979)	Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as calcium mobilization by FLIPR assay
50044507	1	ChEMBL_1363296 (CHEMBL3294724)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method
50044507	2	ChEMBL_1363297 (CHEMBL3294725)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method
50007351	6	ChEMBL_138586 (CHEMBL746514)	In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M3
50007351	8	ChEMBL_139114 (CHEMBL749238)	In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M4
50007351	4	ChEMBL_138289 (CHEMBL744321)	In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)
50007351	5	ChEMBL_139633 (CHEMBL748246)	In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M2
50044508	1	ChEMBL_1363707 (CHEMBL3293670)	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293T cell membranes by scintillation counting
50044508	2	ChEMBL_1363708 (CHEMBL3293671)	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293T cell membranes by scintillation counting
50044509	1	ChEMBL_1363717 (CHEMBL3293680)	Inhibition of human cytosolic CA-1 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer
50044509	2	ChEMBL_1363718 (CHEMBL3293681)	Inhibition of human cytosolic CA-2 assessed as p-nitrophenolate formation after 3 mins using p-nitrophenylacetate as substrate by spectrophotometer
50007351	7	ChEMBL_139115 (CHEMBL749239)	In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) radioligand in human cloned Muscarinic acetylcholine receptor M4
50044510	1	ChEMBL_1364503 (CHEMBL3295051)	Activation of human M1 mAChR expressed in FlpIn-CHO cells assessed as FBS-induced ERK1/2 phosphorylation incubated for 5 mins by Alphascreen assay
50007351	2	ChEMBL_138587 (CHEMBL746515)	In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB)radioligand in human cloned Muscarinic acetylcholine receptor M3
50044511	1	ChEMBL_1364514 (CHEMBL3295311)	Agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay
50007351	3	ChEMBL_139632 (CHEMBL748245)	In vitro affinity is evaluated, using quinuclidinyl benzilate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M2
50044511	2	ChEMBL_1364516 (CHEMBL3295313)	Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay
50044511	3	ChEMBL_1364517 (CHEMBL3295314)	Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting
50044511	4	ChEMBL_1364518 (CHEMBL3295315)	Partial agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay
50044511	5	ChEMBL_1364519 (CHEMBL3295316)	Partial agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay relative to SR142948a
50044511	6	ChEMBL_1364511 (CHEMBL3295308)	Agonist activity at rat NTS1 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay
50044512	1	ChEMBL_1365346 (CHEMBL3292670)	Inhibition of human recombinant casein kinase-1 delta using casein as substrate after 60 mins by kinase-glo luminescence assay
50044512	2	ChEMBL_1365347 (CHEMBL3292671)	Inhibition of human recombinant GSK-3 beta after 30 mins by luminescence assay
50044512	3	ChEMBL_1365348 (CHEMBL3292672)	Competitive binding affinity to B-RAF kinase (unknown origin) after 60 to 120 mins by FRET analysis
50044512	4	ChEMBL_1365349 (CHEMBL3292673)	Binding affinity to B-RAF kinase (unknown origin)
50044513	1	ChEMBL_1365357 (CHEMBL3292681)	Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay
50044513	2	ChEMBL_1365356 (CHEMBL3292680)	Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay
50044513	3	ChEMBL_1365355 (CHEMBL3292679)	Agonist activity at human TGR5
50044514	1	ChEMBL_1365745 (CHEMBL3296171)	Inhibition of rat recombinant glutathione reductase after 30 mins by DTNB assay
50007353	2	ChEMBL_68474 (CHEMBL682063)	Compound was tested for the inhibition of Farnesyltransferase
50007353	3	ChEMBL_71980 (CHEMBL683533)	Compound was tested for the inhibition of Geranylgeranyl transferase type I
50007353	1	ChEMBL_68493 (CHEMBL680825)	Inhibition of Farnesyltransferase
50044515	1	ChEMBL_1365780 (CHEMBL3296306)	Inhibition of human ERG by medium-throughput electrophysiology
50044515	2	ChEMBL_1365786 (CHEMBL3296312)	Inhibition of mu opioid receptor (unknown origin)
50044515	3	ChEMBL_1365788 (CHEMBL3296314)	Inhibition of adenosine A1 receptor (unknown origin)
50044516	1	ChEMBL_1366555 (CHEMBL3296578)	Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins
50007355	1	ChEMBL_214775 (CHEMBL816233)	Inhibition of vitronectin binding to the purified immobilized vitronectin receptor (alpha v, beta 3).
50007355	3	ChEMBL_70319 (CHEMBL678024)	Inhibitory activity of fibrinogen binding to purified immobilized glycoprotein (fibrinogen receptor).
50007355	2	ChEMBL_214776 (CHEMBL816234)	Inhibition of vitronectin binding to purified immobilized vitronectin receptor alpha v beta3
50007357	4	ChEMBL_143140 (CHEMBL744184)	Compound was evaluated for binding to Norepinephrine Transporter (NET) using [3H]desmethylimipramine as radioligand
50007357	2	ChEMBL_143141 (CHEMBL872658)	Compound was evaluated for binding to Norepinephrine Transporter (NET).
50007357	5	ChEMBL_201968 (CHEMBL804805)	Compound is evaluated for binding to Serotonin transporter using [3H]citalopram as radioligand in rat brain
50044516	2	ChEMBL_1366557 (CHEMBL3296580)	Antagonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as inhibition of serotonin-induced receptor/Gbeta1 coupling by BRET assay
50044516	3	ChEMBL_1366558 (CHEMBL3296581)	Partial agonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as effect on serotonin-induced receptor/Gbeta1 coupling by BRET assay
50044516	4	ChEMBL_1366556 (CHEMBL3296579)	Binding affinity to 5HT4R (unknown origin)
50044517	1	ChEMBL_1366562 (CHEMBL3296585)	Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50044517	2	ChEMBL_1366559 (CHEMBL3296582)	Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50007361	3	ChEMBL_156301 (CHEMBL760822)	Inhibition of Phosphodiesterase 2 from bovine aorta
50044517	3	ChEMBL_1366560 (CHEMBL3296583)	Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50007361	4	ChEMBL_156302 (CHEMBL760823)	Inhibition of Phosphodiesterase 2 from bovine adrenal cortex
50007362	1	ChEMBL_91740 (CHEMBL702202)	Inhibition of rat kidney Kynurenine 3-hydroxylase.
50044517	4	ChEMBL_1366561 (CHEMBL3296584)	Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50044518	1	ChEMBL_1366896 (CHEMBL3297537)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC/MS/MS analysis
50044518	2	ChEMBL_1366897 (CHEMBL3297538)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC/MS/MS analysis
50044518	3	ChEMBL_1366898 (CHEMBL3297539)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 15 mins by LC/MS/MS analysis
50044518	4	ChEMBL_1366893 (CHEMBL3297534)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC/MS/MS analysis
50044518	5	ChEMBL_1366894 (CHEMBL3297535)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins by LC/MS/MS analysis
50044518	6	ChEMBL_1366895 (CHEMBL3297536)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 15 mins by LC/MS/MS analysis
50044519	1	ChEMBL_1361152 (CHEMBL3292126)	Inhibition of human CYP2D6
50044519	2	ChEMBL_1361153 (CHEMBL3292127)	Inhibition of human CYP2C19
50044519	3	ChEMBL_1361154 (CHEMBL3292128)	Inhibition of human CYP2C9
50044519	4	ChEMBL_1361155 (CHEMBL3292129)	Inhibition of human CYP1A2
50044519	5	ChEMBL_1361156 (CHEMBL3292130)	Inhibition of human CYP3A4
50044519	6	ChEMBL_1361157 (CHEMBL3292131)	Inhibition of human ERG
50044520	1	ChEMBL_1361177 (CHEMBL3292151)	Agonist activity at recombinant human 5-HT2C receptor expressed in CHO K1 cells assessed as calcium mobilization by FLIPR assay
50007372	2	ChEMBL_208344 (CHEMBL813654)	In vitro inhibition of thrombin
50007372	3	ChEMBL_48799 (CHEMBL662825)	In vitro inhibition of Coagulation factor X
50007372	1	ChEMBL_210650 (CHEMBL811612)	In vitro inhibition of trypsin
50044520	2	ChEMBL_1361183 (CHEMBL3292157)	Agonist activity at 5-HT2A receptor in beagle dog femoral arteries tissue after 1 hr
50044520	3	ChEMBL_1361191 (CHEMBL3292423)	Binding affinity to 5HT2A receptor (unknown origin)
50044520	4	ChEMBL_1361193 (CHEMBL3292425)	Binding affinity to 5HT2B receptor (unknown origin)
50044520	5	ChEMBL_1361180	Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay
50044520	6	ChEMBL_1361181 (CHEMBL3292155)	Agonist activity at recombinant human 5-HT2B receptor expressed in CHO K1 cells assessed as calcium mobilization by FLIPR assay
50044520	7	ChEMBL_1361195 (CHEMBL3292427)	Binding affinity to 5HT1A receptor (unknown origin)
50044520	8	ChEMBL_1361196 (CHEMBL3292428)	Binding affinity to 5HT6 receptor (unknown origin)
50044520	9	ChEMBL_1361197 (CHEMBL3292429)	Binding affinity to 5HT1B receptor (unknown origin)
50044520	10	ChEMBL_1361198 (CHEMBL3292430)	Binding affinity to adrenergic beta-2 receptor (unknown origin)
50044521	1	ChEMBL_1361497 (CHEMBL3294601)	Displacement of [3H]raclopride from human dopamine D2L receptor expressed in CHOK1a cell membrane after 180 mins by scintillation counting analysis
50008636	12	ChEMBL_70169 (CHEMBL683389)	Dissociation constant for unactivated Fibrinogen Receptor
50044521	2	ChEMBL_1361498 (CHEMBL3294602)	Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 mins
50008636	15	ChEMBL_70170 (CHEMBL683390)	Dissociation constant for unactivated Fibrinogen Receptor
50044521	3	ChEMBL_1361499 (CHEMBL3294603)	Displacement of [3H]nemonapride from dopamine D2L receptor (unknown origin) expressed in African green monkey COS7 cells
50008636	16	ChEMBL_70171 (CHEMBL683391)	Dissociation constant for unactivated Fibrinogen Receptor
50008636	14	ChEMBL_217450 (CHEMBL823499)	Inhibitory activity against alpha4-beta1 integrin
50008636	9	ChEMBL_70324 (CHEMBL677004)	Inhibitory activity against Fibrinogen Receptor
50044521	4	ChEMBL_1361503 (CHEMBL3294607)	Displacement of [3H]mesulergine from human 5-HT2C receptor expressed in human tsA201 cells after 1 hr by scintillation counting analysis
50009899	21	ChEMBL_217451 (CHEMBL823500)	Affinity for alpha4-beta1 integrin from HL60 cell lysate
50009899	18	ChEMBL_217797 (CHEMBL824057)	The antagonist activity was evaluated by alphaIlb-beta3 cell assay
50009899	24	ChEMBL_32646 (CHEMBL642141)	Inhibition of alphaL-beta2 mediated cell adhesion
50044521	6	ChEMBL_1361505 (CHEMBL3294609)	Displacement of [3H]5-HT from human recombinant 5-HT2C receptor expressed in HEK293 cells
50044521	7	ChEMBL_1361506	Displacement of [3H]5-HT from human recombinant 5-HT2C receptor expressed in mouse 3T3 cells
50044521	8	ChEMBL_1361507 (CHEMBL3294611)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in hamster BHK cells after 60 mins by scintillation counting analysis
50007375	3	ChEMBL_143365 (CHEMBL751657)	Inhibition of human Neuronal nitric oxide synthase
50007375	1	ChEMBL_65304 (CHEMBL678078)	inhibition of human endothelial constitutive Endothelial nitric oxide synthase (heNOS)
50007375	2	ChEMBL_89200 (CHEMBL701151)	Inhibition of human Inducible nitric oxide synthase
50044521	9	ChEMBL_1361508 (CHEMBL3294612)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 1 hr by scintillation spectroscopic analysis
50009899	17	ChEBML_217620	Inhibition of alpha4-beta7 integrin mediated cell adhesion
50009899	19	ChEBML_217630	Inhibition of alpha5-beta1 integrin mediated cell adhesion
50044521	5	ChEMBL_1361504 (CHEMBL3294608)	Displacement of [3H]5-HT from 5-HT2C receptor (unknown origin) expressed in hamster AV12 cells
50007377	4	ChEMBL_139261 (CHEMBL745069)	Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]-NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M4
50007377	7	ChEMBL_138184 (CHEMBL749205)	Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M2
50007377	2	ChEMBL_139520 (CHEMBL748276)	Compound was evaluated for its ability to displace [3H]- N-methyl-scopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M5
50007377	1	ChEMBL_139212 (CHEMBL745687)	Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M1
50007377	6	ChEMBL_138982 (CHEMBL747474)	Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M3
50007377	3	ChEMBL_139213 (CHEMBL745688)	Compound was evaluated for its ability to displace [3H]N-methylscopolamine ([3H]NMS) binding to cloned CHO cell lines expressing Muscarinic acetylcholine receptor M1
50035120	8	ChEMBL_146126 (CHEMBL859331)	pEC50 for its effect on stimulating GTPgammaS binding to membranes of HEK 293 cells overexpressing rat ORL-1 receptor
50044522	1	ChEMBL_1361512 (CHEMBL3294616)	Inhibition of recombinant N-terminal His-tagged human IDO (Ala2 to Gly403) overexpressed in Escherichia coli BL21 AI using L-tryptophan as substrate assessed as formation of kynurenine incubated for 5 mins in presence of p-dimethylaminobenzaldehyde
50044523	1	ChEMBL_1361547 (CHEMBL3294871)	Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay
50007381	2	ChEMBL_70742 (CHEMBL681453)	Inhibition of Farnesyltransferase from rat brain
50007381	3	ChEMBL_70740 (CHEMBL681452)	Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 uM FPP and 0.36 uM Ras peptide
50007381	1	ChEMBL_70736 (CHEMBL681126)	Inhibition of FTase in competitive manner with respect to FPP (farnesyl diphosphate) at 6.0 uM FPP and 0.36 uM Ras peptide.
50007381	4	ChEMBL_70741 (CHEMBL877822)	Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 uM FPP and 3.6 uM Ras peptide.
50007382	1	ChEMBL_211973 (CHEMBL817703)	Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)
50007383	2	ChEMBL_1299 (CHEMBL616676)	In vitro binding affinity for 5-hydroxytryptamine 1A receptor was determined by measuring specific inhibition of [125I]-binding to rat hippocampal membrane preparations
50044523	2	ChEMBL_1361549 (CHEMBL3294873)	Binding affinity to PDE-delta (unknown origin) by time-resolved fluorescence anisotropic analysis
50044523	3	ChEMBL_1361836 (CHEMBL3292772)	Binding affinity to PDE-delta (unknown origin) by SPR analysis
50044524	1	ChEMBL_1361874 (CHEMBL3293049)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using deoxycorticosterone as substrate
50044524	2	ChEMBL_1361875 (CHEMBL3293050)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using deoxycorticosterone as substrate
50044524	3	ChEMBL_1361879 (CHEMBL3293054)	Inhibition of CYP1A2 in human liver microsomes after 2 to 45 mins by LC-MS/MS analysis
50044524	4	ChEMBL_1361880 (CHEMBL3293055)	Inhibition of CYP2C9 in human liver microsomes after 2 to 45 mins by LC-MS/MS analysis
50044524	5	ChEMBL_1361881 (CHEMBL3293056)	Inhibition of CYP2C19 in human liver microsomes after 2 to 45 mins by LC-MS/MS analysis
50044524	6	ChEMBL_1361882 (CHEMBL3293057)	Inhibition of CYP2D6 in human liver microsomes after 2 to 45 mins by LC-MS/MS analysis
50044524	7	ChEMBL_1361883 (CHEMBL3293058)	Inhibition of CYP3A4 in human liver microsomes after 2 to 45 mins by LC-MS/MS analysis
50044524	8	ChEMBL_1361870 (CHEMBL3293045)	Inhibition of CYP11B2 (unknown origin)
50044525	1	ChEMBL_1361886 (CHEMBL3293061)	Inhibition of ITK (unknown origin) using Acetyl-EFPIYDFLPAKKK-NH2 peptide as substrate after 1 hr by LC-MS analysis
50044526	1	ChEMBL_1361891 (CHEMBL3293066)	Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition measured for 50 secs by FLIPR assay
50044527	1	ChEMBL_1361892 (CHEMBL3293067)	Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay
50044527	2	ChEMBL_1361893 (CHEMBL3293068)	Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S binding by DELFIA
50044527	3	ChEMBL_1362192 (CHEMBL3295453)	Inhibition of human ERG
50044527	4	ChEMBL_1362193 (CHEMBL3295454)	Inhibition of 5HT2B receptor (unknown origin)
50044528	1	ChEMBL_1362202 (CHEMBL3295463)	Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA
50044529	1	ChEMBL_1362557 (CHEMBL3293586)	Inhibition of CYP2C9 (unknown origin)
50044529	2	ChEMBL_1362556 (CHEMBL3293585)	Inhibition of CYP2C19 (unknown origin)
50044530	1	ChEMBL_1362980 (CHEMBL3292548)	Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin conversion to 4'-hydroxy mephenytoin preincubated for 10 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50044530	2	ChEMBL_1362981 (CHEMBL3292549)	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide conversion to 4-hydroxy tolbutamide preincubated for 10 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50044530	3	ChEMBL_1362982 (CHEMBL3292550)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone conversion to 6-hydroxy testosterone preincubated for 10 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50044530	4	ChEMBL_1362983 (CHEMBL3292551)	Inhibition of CYP3A4 in human liver microsomes assessed as midazolam conversion to 1'-hydroxy midazolam preincubated for 10 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50044531	1	ChEMBL_1362991 (CHEMBL3292559)	Inhibition of ovine COX1 using arachidonic acid as substrate
50044531	2	ChEMBL_1362992 (CHEMBL3292560)	Inhibition of human recombinant COX2 using arachidonic acid as substrate
50044532	1	ChEMBL_1362994 (CHEMBL3292562)	Agonist activity at human GPR40 expressed in CHO cells by aequorin assay
50044532	2	ChEMBL_1362995 (CHEMBL3292563)	Agonist activity at human GPR40 expressed in mouse A9 cells by inositol phosphate accumulation assay
50044533	1	ChEMBL_1363387 (CHEMBL3295522)	Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting
50044534	1	ChEMBL_1363405 (CHEMBL3295540)	Binding affinity to human plasma full length Glu-plasminogen K1 domain by surface plasmon resonance analysis
50044534	2	ChEMBL_1363406 (CHEMBL3295541)	Binding affinity to human plasma N-terminal truncated Lys-plasminogen K1 domain by surface plasmon resonance analysis
50044534	3	ChEMBL_1363407 (CHEMBL3295542)	Binding affinity to human plasma N-terminal truncated Lys-plasminogen by surface plasmon resonance analysis
50044534	4	ChEMBL_1363408 (CHEMBL3295543)	Binding affinity to human plasma full length Glu-plasminogen by surface plasmon resonance analysis
50044534	5	ChEMBL_1363409 (CHEMBL3295544)	Binding affinity to human full length Glu-plasminogen in buffer assessed as inhibition of interaction with fibrin preincubated for 15 mins followed by thrombin addition measured every 2 mins for 15 hrs by Spectra-Max reader analysis in presence of tPA
50044534	6	ChEMBL_1363410 (CHEMBL3295545)	Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA
50044534	7	ChEMBL_1363747 (CHEMBL3293934)	Inhibition of CYP3A4 (unknown origin)
50044534	8	ChEMBL_1363748 (CHEMBL3293935)	Inhibition of CYP2D6 (unknown origin)
50044534	9	ChEMBL_1363749 (CHEMBL3293936)	Inhibition of CYP1A2 (unknown origin)
50044534	10	ChEMBL_1363750 (CHEMBL3293937)	Inhibition of CYP2C9 (unknown origin)
50022840	1	ChEMBL_547450 (CHEMBL1029265)	Inhibition of electric eel AChE by colorimetric method
50044534	11	ChEMBL_1363751 (CHEMBL3293938)	Inhibition of CYP2C19 (unknown origin)
50044534	12	ChEMBL_1363752 (CHEMBL3293939)	Inhibition of CYP2C8 (unknown origin)
50044534	13	ChEMBL_1363733 (CHEMBL3293920)	Inhibition of human ERG
50044535	1	ChEMBL_1363768 (CHEMBL3294185)	Inhibition of CYP2C9 (unknown origin)
50044535	2	ChEMBL_1363801 (CHEMBL3294218)	Inhibition of prostanoid IP receptor (unknown origin)
50044535	3	ChEMBL_1363767 (CHEMBL3294184)	Inhibition of human ACAT2 expressed in Sf9 insect cells using [14C]-oleoyl-CoA by scintillation counting analysis
50044535	4	ChEMBL_1363798 (CHEMBL3294215)	Inhibition of CASP9 (unknown origin)
50044535	5	ChEMBL_1363800 (CHEMBL3294217)	Inhibition of insulin receptor (unknown origin)
50044535	6	ChEMBL_1363799 (CHEMBL3294216)	Inhibition of EGF receptor (unknown origin)
50044535	7	ChEMBL_1363766 (CHEMBL3294183)	Inhibition of human ACAT1 expressed in Sf9 insect cells using [14C]-oleoyl-CoA by scintillation counting analysis
50044535	8	ChEMBL_1363765 (CHEMBL3294182)	Inhibition of human DGAT2 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting analysis
50044535	9	ChEMBL_1363772 (CHEMBL3294189)	Inhibition of mouse DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting analysis
50044535	10	ChEMBL_1363771 (CHEMBL3294188)	Inhibition of human DGAT1 expressed in Sf9 insect cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA substrate by scintillation counting analysis
50007392	4	ChEMBL_155727 (CHEMBL760761)	Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase type 4A (PDE4A).
50007392	1	ChEMBL_155175 (CHEMBL761822)	Evaluated in vitro for its inhibitory activity on unpurified recombinant Phosphodiesterase 4C
50007392	2	ChEMBL_155043 (CHEMBL764362)	Inhibition of recombinant human Phosphodiesterase 4B
50007392	3	ChEMBL_155044 (CHEMBL764363)	Inhibition of recombinant human Phosphodiesterase 4B
50007392	6	ChEMBL_155179 (CHEMBL761826)	In vitro inhibitory activity on unpurified recombinant Phosphodiesterase 4D
50007395	4	ChEMBL_123498 (CHEMBL729160)	Antagonistic activity was determined in Human mineralocorticoid receptor(hMR) of CV-1 cells in cotransfection assay.
50044535	11	ChEMBL_1363797 (CHEMBL3294214)	Inhibition of CASP8 (unknown origin)
50044535	12	ChEMBL_1363790 (CHEMBL3294207)	Inhibition of CB1 receptor (unknown origin)
50044535	13	ChEMBL_1363792 (CHEMBL3294209)	Inhibition of D2 receptor (unknown origin)
50044536	1	ChEMBL_1364155 (CHEMBL3292632)	Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells
50044536	2	ChEMBL_1364156 (CHEMBL3292633)	Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells
50044537	1	ChEMBL_1364167 (CHEMBL3292644)	Displacement of [3H]haTRAP from PAR-1 receptor in human platelet membranes after 1 hr by scintillation counting analysis
50044538	1	ChEMBL_1364168 (CHEMBL3292645)	Binding affinity to HDM2 (unknown origin) by fluorescence polarization peptide displacement assay
50044538	2	ChEMBL_1364172 (CHEMBL3292887)	Inhibition of CYP3A4 (unknown origin) co-incubated with enzyme
50044538	3	ChEMBL_1364173 (CHEMBL3292888)	Inhibition of CYP2D6 (unknown origin) co-incubated with enzyme
50044538	4	ChEMBL_1364174 (CHEMBL3292889)	Inhibition of CYP2C9 (unknown origin) co-incubated with enzyme
50044538	5	ChEMBL_1364175 (CHEMBL3292890)	Inhibition of CYP3A4 (unknown origin) pre-incubated with enzyme
50044538	6	ChEMBL_1364176 (CHEMBL3292891)	Inhibition of CYP2D6 (unknown origin) pre-incubated with enzyme
50044538	7	ChEMBL_1364177 (CHEMBL3292892)	Inhibition of CYP2C9 (unknown origin) pre-incubated with enzyme
50044539	1	ChEMBL_1364181 (CHEMBL3292896)	Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs
50044540	1	ChEMBL_1364193 (CHEMBL3292908)	Inhibition of human HDAC6 by HDAC-Glo assay
50044540	2	ChEMBL_1364195 (CHEMBL3292910)	Inhibition of human HDAC1 by HDAC-Glo assay
50044540	3	ChEMBL_1364196 (CHEMBL3292911)	Inhibition of human HDAC9 by HDAC-Glo assay
50044541	1	ChEMBL_1364556 (CHEMBL3295611)	Inhibition of VEGFR-2 in HUVEC assessed as inhibition of VEGF (1 to 165)-induced cell proliferation preincubated for 2 hrs followed by VEGF (1 to 165) induction measured after 48 hrs by CCK8 assay
50044541	2	ChEMBL_1364555 (CHEMBL3295610)	Inhibition of VEGFR-2 (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	3	ChEMBL_1364560 (CHEMBL3295615)	Inhibition of recombinant PDGFR-beta (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	4	ChEMBL_1364561 (CHEMBL3295616)	Inhibition of recombinant RET (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	5	ChEMBL_1364557 (CHEMBL3295612)	Inhibition of recombinant VEGFR-1 (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	6	ChEMBL_1364559 (CHEMBL3295614)	Inhibition of recombinant PDGFR-alpha (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	7	ChEMBL_1364562 (CHEMBL3295617)	Inhibition of FGFR-1 (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50007402	3	ChEMBL_106376 (CHEMBL718350)	Effect on 1S,3R-ACPD-induced inhibition of forskolin stimulated cyclic-AMP in RGT cells expressing human Metabotropic glutamate receptor 3
50044541	8	ChEMBL_1364558 (CHEMBL3295613)	Inhibition of recombinant Flt-3 (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	9	ChEMBL_1364563 (CHEMBL3295618)	Inhibition of wild type EGFR kinase domain (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	10	ChEMBL_1364564 (CHEMBL3295619)	Inhibition of human ErbB2 expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	11	ChEMBL_1364565 (CHEMBL3295620)	Inhibition of recombinant human ErbB4 using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	12	ChEMBL_1364567 (CHEMBL3295622)	Inhibition of recombinant c-Src (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	13	ChEMBL_1364568 (CHEMBL3295623)	Inhibition of recombinant Abl (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	14	ChEMBL_1364569 (CHEMBL3295624)	Inhibition of recombinant EPH-A2 (unknown origin) using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044541	15	ChEMBL_1364570 (CHEMBL3295625)	Inhibition of IGF-1R (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA
50044542	1	ChEMBL_1364610 (CHEMBL3295909)	Inhibition of human ERG expressed in CHO cells by automated patch clamp assay
50044543	1	ChEMBL_1364988 (CHEMBL3295658)	Inhibition of 3'-processing activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate
50044543	2	ChEMBL_1364989 (CHEMBL3295659)	Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate
50044544	1	ChEMBL_1365396 (CHEMBL3296755)	Inhibition of human ERG
50044544	2	ChEMBL_1365401 (CHEMBL3296760)	Binding affinity to VEGFR1 (unknown origin)
50044544	3	ChEMBL_1365399 (CHEMBL3296758)	Binding affinity to VEGFR2 (unknown origin)
50044544	4	ChEMBL_1365409 (CHEMBL3296768)	Binding affinity to c-KIT (unknown origin)
50044544	5	ChEMBL_1365400 (CHEMBL3296759)	Binding affinity to PDGFR-beta (unknown origin)
50044544	6	ChEMBL_1365397 (CHEMBL3296756)	Binding affinity to VEGFR3 (unknown origin)
50044544	7	ChEMBL_1365402 (CHEMBL3296761)	Binding affinity to RET (unknown origin)
50044544	8	ChEMBL_1365403 (CHEMBL3296762)	Binding affinity to AXL (unknown origin)
50044544	9	ChEMBL_1365404 (CHEMBL3296763)	Binding affinity to FGFR3 (unknown origin)
50044544	10	ChEMBL_1365405 (CHEMBL3296764)	Binding affinity to ALK (unknown origin)
50044544	11	ChEMBL_1365406 (CHEMBL3296765)	Binding affinity to CHK1 (unknown origin)
50044544	12	ChEMBL_1365407 (CHEMBL3296766)	Binding affinity to ABL (unknown origin)
50044544	13	ChEMBL_1365408 (CHEMBL3296767)	Binding affinity to ARG (unknown origin)
50044544	14	ChEMBL_1365410 (CHEMBL3296769)	Binding affinity to FMS (unknown origin)
50044544	15	ChEMBL_1365411 (CHEMBL3296770)	Binding affinity to PYK2 (unknown origin)
50044544	16	ChEMBL_1365412 (CHEMBL3296771)	Binding affinity to FGFR1 (unknown origin)
50044544	17	ChEMBL_1365413 (CHEMBL3296772)	Binding affinity to FAK (unknown origin)
50044544	18	ChEMBL_1365414 (CHEMBL3296773)	Binding affinity to PHKgamma2 (unknown origin)
50044544	19	ChEMBL_1365415 (CHEMBL3296774)	Binding affinity to FYN (unknown origin)
50044544	20	ChEMBL_1365416 (CHEMBL3296775)	Binding affinity to LCK (unknown origin)
50044544	21	ChEMBL_1365398 (CHEMBL3296757)	Binding affinity to FLT3 (unknown origin)
50044545	1	ChEMBL_1366233 (CHEMBL3297430)	Displacement of [125I]-alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in Wistar rat frontal cortex by gamma counting
50044546	1	ChEMBL_1366586 (CHEMBL3296644)	Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric analysis
50044547	1	ChEMBL_1366621 (CHEMBL3296715)	Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus aureus AH2759 incubated for 15 hrs by P3-LUX reporter gene assay
50044548	1	ChEMBL_1366626 (CHEMBL3296720)	Inhibition of human ERG
50044548	2	ChEMBL_1366636 (CHEMBL3296730)	Inhibition of CYP2C19 (unknown origin)
50044548	3	ChEMBL_1366633 (CHEMBL3296727)	Inhibition of CYP3A4 (unknown origin)
50044548	4	ChEMBL_1366637 (CHEMBL3296731)	Inhibition of CYP1A2 (unknown origin)
50044548	5	ChEMBL_1366634 (CHEMBL3296728)	Inhibition of CYP2D6 (unknown origin)
50044548	6	ChEMBL_1366635 (CHEMBL3296729)	Inhibition of CYP2C9 (unknown origin)
50044549	1	ChEMBL_1366993 (CHEMBL3296147)	Inhibition of calpain-1 (unknown origin) using Suc-LY-AMC as substrate by fluorescence assay
50007407	2	ChEMBL_143916 (CHEMBL752719)	In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor
50007407	1	ChEMBL_27877 (CHEMBL640575)	In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1
50007408	2	ChEMBL_4158 (CHEMBL619225)	Inhibitory activity against 5-lipoxygenase obtained from rat basophilic leukemia cells
50007408	4	ChEMBL_157996 (CHEMBL766669)	Inhibitory activity against Prostaglandin G/H synthase 2 obtained from sheep placenta
50007408	3	ChEMBL_4287 (CHEMBL618397)	Inhibitory activity against 5-lipoxygenase obtained from rat basophilic leukemia cells
50007409	1	ChEMBL_62626 (CHEMBL678248)	In vitro binding affinity towards dopamine transporter in rat striatal homogenate with [125I]IPT as the radioligand
50007410	2	ChEMBL_212349 (CHEMBL816796)	Inhibitory activity against bovine trypsin
50007410	1	ChEMBL_207992 (CHEMBL816075)	Inhibitory activity against human Thrombin
50044549	2	ChEMBL_1366994 (CHEMBL3296148)	Inhibition of cathepsin B (unknown origin) using substrate-3 as substrate by fluorescence assay
50044550	1	ChEMBL_1366998 (CHEMBL3296229)	Inhibition of Btk (unknown origin) after 1 hr by HTRF assay
50044550	2	ChEMBL_1361216 (CHEMBL3292448)	Inhibition of Btk phosphorylation at Tyr551 in human Ramos cells after 1 hr by Western blot analysis
50044550	3	ChEMBL_1361217 (CHEMBL3292449)	Inhibition of Btk in human Ramos cells assessed as inhibition of PLC-gamma2 phosphorylation at Tyr1217 after 1 hr by Western blot analysis
50044550	4	ChEMBL_1361206 (CHEMBL3292438)	Inhibition of Blk (unknown origin) after 1 hr by HTRF assay
50044550	5	ChEMBL_1366997 (CHEMBL3296228)	Inhibition of Bmx (unknown origin) after 1 hr by HTRF assay
50044550	6	ChEMBL_1361207 (CHEMBL3292439)	Inhibition of EGFR (unknown origin) after 1 hr by HTRF assay
50044550	7	ChEMBL_1361205 (CHEMBL3292437)	Inhibition of HER2 (unknown origin) after 1 hr by HTRF assay
50044550	8	ChEMBL_1361208 (CHEMBL3292440)	Inhibition of HER4 (unknown origin) after 1 hr by HTRF assay
50044550	9	ChEMBL_1361209 (CHEMBL3292441)	Inhibition of Itk (unknown origin) after 1 hr by HTRF assay
50044550	10	ChEMBL_1361210 (CHEMBL3292442)	Inhibition of Jak3 (unknown origin) after 1 hr by HTRF assay
50044550	11	ChEMBL_1361211 (CHEMBL3292443)	Inhibition of Rlk (unknown origin) after 1 hr by HTRF assay
50044550	12	ChEMBL_1361212 (CHEMBL3292444)	Inhibition of Tec (unknown origin) after 1 hr by HTRF assay
50044550	13	ChEMBL_1366999 (CHEMBL3296230)	Inhibition of Lck (unknown origin) after 1 hr by HTRF assay
50007414	1	ChEMBL_144844 (CHEMBL752890)	In vitro inhibitory activity against human O6-alkylguanine-DNA alkyltransferase (AGAT)
50007417	1	ChEMBL_148899 (CHEMBL754982)	Compound was tested for inhibition of solubilized and partially purified pig liver Oxidosqualene-lanosterol cyclase
50007417	2	ChEMBL_148890 (CHEMBL758671)	Compound was tested for inhibition of solubilized and partially purified Saccharomyces cerevisiae Oxidosqualene-lanosterol cyclase
50044551	1	ChEMBL_1361560 (CHEMBL3295127)	Inhibition of human recombinant 5-LO expressed in Escherichia coli Bl21 (DE3) using arachidonic acid as substrate preincubated for 10 mins measured after 10 mins by RP-HPLC analysis
50044551	2	ChEMBL_1361558 (CHEMBL3294882)	Inhibition of mPGES1-mediated PGE2 production in microsomes of IL-1beta stimulated human A549 cells preincubated for 15 mins by RP-HPLC analysis
50044551	3	ChEMBL_1361574 (CHEMBL3295141)	Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone
50044551	4	ChEMBL_1361561 (CHEMBL3295128)	Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate preincubated for 15 mins measured after 10 mins by HPLC analysis
50044551	5	ChEMBL_1361566 (CHEMBL3295133)	Inhibition of COX1-mediated PGE2 production in human platelets assessed as formation of 12-HHT using arachidonic acid as substrate preincubated for 5 mins measured after 5 mins by RP-HPLC analysis
50044551	6	ChEMBL_1361570 (CHEMBL3295137)	Inhibition of 12-LO in human neutrophils
50044551	7	ChEMBL_1361573 (CHEMBL3295140)	Inhibition of STAT3 transcriptional activity in human HaCaT cells after 6 hrs by luciferase reporter gene assay
50044551	8	ChEMBL_1361577 (CHEMBL3295144)	Inhibition of 5-LO-mediated LTB4 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50007422	1	ChEMBL_159631 (CHEMBL881815)	Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate
50044551	9	ChEMBL_1361578 (CHEMBL3295145)	Inhibition of 5-LO-mediated 5-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	10	ChEMBL_1361579 (CHEMBL3295146)	Inhibition of 5-LO-mediated 5,12-DiHETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	11	ChEMBL_1361583 (CHEMBL3295150)	Inhibition of mPGES1-mediated PGE2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	12	ChEMBL_1361584 (CHEMBL3295151)	Inhibition of COX1-mediated PGF2alpha formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	13	ChEMBL_1361585 (CHEMBL3295152)	Inhibition of COX1-mediated PGD2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	14	ChEMBL_1361587 (CHEMBL3295154)	Inhibition of COX2-mediated PGF2alpha formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	15	ChEMBL_1361588 (CHEMBL3295411)	Inhibition of COX2-mediated PGD2 formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044551	16	ChEMBL_1361591 (CHEMBL3295414)	Inhibition of 15-LO-mediated 15-HETE formation in LPS-stimulated human monocytes preincubated for 15 mins before arachidonic acid substrate addition measured after 30 mins by UPLC-MS/MS analysis
50044552	1	ChEMBL_1361898 (CHEMBL3293294)	Binding affinity to CB2 receptor (unknown origin)
50044552	2	ChEMBL_1361899 (CHEMBL3293295)	Binding affinity to CB1 receptor (unknown origin)
50044552	3	ChEMBL_1361901 (CHEMBL3293297)	Displacement of [3H]-CP-55,940 from CB2 receptor (unknown origin)
50044552	4	ChEMBL_1361902 (CHEMBL3293298)	Displacement of [3H]-CP-55,940 from CB1 receptor (unknown origin)
50044552	5	ChEMBL_1361903 (CHEMBL3293299)	Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis
50044552	6	ChEMBL_1361904 (CHEMBL3293300)	Displacement of [3H]-CP-55,940 from CB1 receptor in CD1 mouse cerebellum-less brain homogenate after 1 hr by liquid scintillation counting analysis
50044553	1	ChEMBL_1361917 (CHEMBL3293313)	Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry
50044554	1	ChEMBL_1361926 (CHEMBL3293530)	Inhibition of rat recombinant DNA polymerase beta expressed in Escherichia coli JMpbeta5 cells assessed as incorporation of [3H]dTTP into poly(dA)/oligo(dT)18 DNA-template primer after 60 mins
50044555	1	ChEMBL_1362299 (CHEMBL3291895)	Inhibition of recombinant human DHODH activity after 20 mins by DCIP dye based colorimetric analysis in presence of 1 mM L-dihydroorotate and 1 mM CqD
50007425	4	ChEMBL_64354 (CHEMBL878284)	Inhibitory activity against endothelin converting enzyme (ECE)
50007425	9	ChEMBL_35993 (CHEMBL644702)	Inhibitory activity against Angiotensin I converting enzyme
50007425	6	ChEMBL_104372 (CHEMBL715833)	Inhibitory activity against human gelatinase A (matrix metalloprotease-2 MMP2)
50007425	1	ChEMBL_104905 (CHEMBL713441)	Inhibitory activity against Matrix metalloprotease-3
50007425	8	ChEMBL_144643 (CHEMBL752999)	Inhibitory activity against neutral endopeptidase (NEP)
50044556	1	ChEMBL_1362636 (CHEMBL3294129)	Inhibition of Trypanosoma cruzi cruzain expressed in Escherichia coli M15/DH5alpha using Z-Phe-Arg-AMC as substrate by spectrofluorometry
50007425	2	ChEMBL_64353 (CHEMBL679937)	Inhibitory activity against Endothelin-converting enzyme (ECE)
50044557	1	ChEMBL_1363046 (CHEMBL3293115)	Binding affinity to human cloned mu opioid receptor expressed in CHO cells by radioligand displacement assay
50044557	2	ChEMBL_1363047 (CHEMBL3293116)	Binding affinity to human cloned delta opioid receptor expressed in CHO cells by radioligand displacement assay
50044557	3	ChEMBL_1363048 (CHEMBL3293117)	Binding affinity to human cloned kappa opioid receptor expressed in HEK293 cells by radioligand displacement assay
50007425	7	ChEMBL_106444 (CHEMBL718668)	Inhibitory activity against Matrix metalloprotease-1
50044558	1	ChEMBL_1363426 (CHEMBL3295815)	Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 60 uM by Lineweaver-Burk plot
50044558	2	ChEMBL_1363427 (CHEMBL3295816)	Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 120 uM by Lineweaver-Burk plot
50007425	5	ChEMBL_105063 (CHEMBL711309)	Inhibitory activity against Matrix metalloprotease-7
50044558	3	ChEMBL_1363428 (CHEMBL3295817)	Inhibition of tyrosinase in mouse Melan-a cells assessed as decrease in L-DOPA Vmax at 240 uM by Lineweaver-Burk plot
50044559	1	ChEMBL_1363438 (CHEMBL3295827)	Inhibition of GST-tagged HDM2 (unknown origin) expressed in Escherichia coli BL21 cells assessed as p53 activation by measuring inhibition of His-p53 ubiquitination after 1 hr by fluorescence spectroscopy
50044560	1	ChEMBL_1364236 (CHEMBL3293197)	Inhibition of 5HT2A receptor (unknown origin)
50044561	1	ChEMBL_1364267 (CHEMBL3293446)	Inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweavere-Burk plot
50044561	2	ChEMBL_1364261 (CHEMBL3293440)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometer analysis
50044561	3	ChEMBL_1364262 (CHEMBL3293441)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by spectrophotometer analysis
50007431	3	ChEMBL_28497 (CHEMBL645927)	In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats
50007431	1	ChEMBL_28654 (CHEMBL643833)	Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal MAI2 assay
50044562	1	ChEMBL_1364624 (CHEMBL3291757)	Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured over 48 to 72 hrs by two-electrode voltage clamp method
50044563	1	ChEMBL_1364642 (CHEMBL3291775)	Inhibition of recombinant human microtubule associated protein tau aggregation by Thiazin-red R displacement fluorescence assay
50044563	2	ChEMBL_1364643 (CHEMBL3291776)	Inhibition of amyloid beta (unknown origin) aggregation by Thiazin-red R displacement fluorescence assay
50044564	1	ChEMBL_1364645 (CHEMBL3291778)	Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50007437	3	ChEMBL_59908 (CHEMBL671067)	The in vitro intrinsic activity was measured at DA D2 receptor by measuring its ability to increase [3H]thymidine uptake in CHO-K1 cells transfected with the Dopamine receptor D2
50022864	2	ChEMBL_548098 (CHEMBL1033447)	Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane
50022864	1	ChEMBL_548101 (CHEMBL1033450)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane
50007438	2	ChEMBL_143349 (CHEMBL751931)	Compound was evaluated for the Inhibition of Neuronal nitric oxide synthase
50007438	3	ChEMBL_65157 (CHEMBL678358)	Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme
50007438	1	ChEMBL_89182 (CHEMBL700500)	Compound was evaluated for the Inhibition of induced isoform of Inducible nitric oxide synthase
50044564	2	ChEMBL_1364647 (CHEMBL3291780)	Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50007440	1	ChEMBL_140850 (CHEMBL752334)	Inhibition of binding of [3H]glycine to N-methyl-D-aspartate glutamate receptor 1 from crude synaptic membranes prepared from adult rat cerebral cortex.
50044564	3	ChEMBL_1364649 (CHEMBL3293471)	Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay
50007445	4	ChEMBL_70437 (CHEMBL681294)	In vitro inhibition of Ha-ras farnesylation in Ha-ras-transformed NIH3T3 cells
50007445	1	ChEMBL_70438 (CHEMBL681295)	In vitro inhibition of Ha-ras farnesylation in Ki-ras-transformed NIH3T3 cells
50044565	1	ChEMBL_1365040 (CHEMBL3291796)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counting analysis
50007445	6	ChEMBL_70435 (CHEMBL681292)	In vitro inhibition of Ha-ras farnesylation in DLD-1 cells
50007445	5	ChEMBL_70436 (CHEMBL681293)	In vitro inhibition of Ha-ras farnesylation in DLD-1 cells
50007447	8	ChEMBL_50386 (CHEMBL662842)	Inhibition of rat Cytochrome P450 17A1
50044565	2	ChEMBL_1365041 (CHEMBL3291797)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counting analysis
50044565	3	ChEMBL_1365043 (CHEMBL3291799)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in human HEK293 cell membrane for 1 hr by liquid scintillation counting analysis
50007447	5	ChEMBL_50384 (CHEMBL662840)	Binding affinity for Cytochrome P450 17A1 (17-alpha-hydroxypregnenolone Km=560 nM)
50007447	4	ChEMBL_192293 (CHEMBL794716)	Inhibition of rat cytochrome P450 17A1
50044566	1	ChEMBL_1365045 (CHEMBL3291801)	Displacement of 26-mer BIMBH3 peptide from GST-tagged Bcl-Xl (unknown origin) by AlphaScreen assay
50007448	1	ChEMBL_54944 (CHEMBL669015)	Compound was tested for inhibition activity against rat liver lipophilic Dihydrofolate reductase (DHFR).
50044566	2	ChEMBL_1365044 (CHEMBL3291800)	Antagonist activity at Bcl-2 (unknown origin)
50044566	3	ChEMBL_1365047 (CHEMBL3291803)	Binding affinity to GST-tagged Bcl-Xl (unknown origin) by surface plasmon resonance assay
50044566	4	ChEMBL_1365048 (CHEMBL3291804)	Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance assay
50044566	5	ChEMBL_1365049 (CHEMBL3291805)	Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay
50007456	4	ChEMBL_141187 (CHEMBL750684)	compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent Km and myristoylCoA at 1 uM
50007456	3	ChEMBL_141186 (CHEMBL750683)	Compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent Km and myristoylCoA at 1 uM
50007457	3	ChEMBL_142949 (CHEMBL750801)	Compound was tested for the ability to inhibit [3H]norepinephrine binding to Norepinephrine transporter in rat synaptosomes
50007457	2	ChEMBL_201505 (CHEMBL873243)	Activity towards Serotonin transporter was determined by the ability to inhibit [3H]5-HT uptake in rat synaptosomes
50007457	1	ChEMBL_142950 (CHEMBL750802)	Compound was tested for the ability to inhibit [3H]norepinephrine binding to Norepinephrine transporter in rat synaptosomes
50044566	6	ChEMBL_1365050 (CHEMBL3291806)	Binding affinity to Mcl-1 (unknown origin) by surface plasmon resonance assay
50007463	2	ChEMBL_47819 (CHEMBL662561)	Compound was evaluated for functional activity on Cholecystokinin type B receptor (CCK-B) receptor carried out on guinea pig stomach cells.
50044567	1	ChEMBL_1365056 (CHEMBL3291812)	Inhibition of VEGFR2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50007465	5	ChEMBL_212353 (CHEMBL816800)	The compound was evaluated to inhibit trypsin and is expressed in IC50 (The concentration required to inhibit 50% of the enzyme).
50007465	1	ChEMBL_212344 (CHEMBL818267)	Concentration of compound required to inhibit 50% trypsin derived from bovine pancreas
50007465	2	ChEMBL_40167 (CHEMBL655962)	The compound was evaluated to inhibit 50% of Clr Serine Protease after 60 mins and is expressed in IC50 (uM).
50044567	2	ChEMBL_1365058 (CHEMBL3292047)	Inhibition of c-Met (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50044568	1	ChEMBL_1365493 (CHEMBL3297008)	Inhibition of human DNA polymerase alpha
50044568	2	ChEMBL_1365494 (CHEMBL3297009)	Inhibition of human DNA polymerase beta
50044568	3	ChEMBL_1365495 (CHEMBL3297010)	Inhibition of human DNA polymerase gamma
50044569	1	ChEMBL_1365856 (CHEMBL3296477)	Displacement of [3H]PK11195 from TSPO in rat C6 cell membrane after 90 mins by radioligand binding assay
50044570	1	ChEMBL_1365873 (CHEMBL3296531)	Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting
50044570	2	ChEMBL_1365874 (CHEMBL3296532)	Antagonist activity at human SST3 expressed in CHO-K1 cells assessed as inhibition of SRIF-14-induced foreskin-stimulated cAMP accumulation after 45 mins by TR-FRET assay
50007470	2	ChEMBL_159934 (CHEMBL766988)	Concentration (in uM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.
50044570	3	ChEMBL_1365876 (CHEMBL3296534)	Agonist activity at human SST3 expressed in CHO-K1 cells assessed as foreskin-stimulated cAMP accumulation after 45 mins by TR-FRET assay
50007470	1	ChEMBL_3836 (CHEMBL618020)	The compound was tested for the concentration (in uM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.
50007471	2	ChEMBL_168 (CHEMBL615380)	Inhibition of 1-lipoxygenase (LOX)in RBL cells
50007471	3	ChEMBL_157496 (CHEMBL765812)	Inhibition of Prostaglandin G/H synthase 2 (COX-2).
50044570	4	ChEMBL_1365878 (CHEMBL3296536)	Displacement of [125I]SS14 from human SST1 expressed in CHO membrane after 60 to 90 mins by scintillation counting
50044570	5	ChEMBL_1365879 (CHEMBL3296537)	Displacement of [125I]SS14 from human SST2 expressed in CHO membrane after 60 to 90 mins by scintillation counting
50044570	6	ChEMBL_1365880 (CHEMBL3296538)	Displacement of [125I]SS14 from human SST4 expressed in CHO membrane after 60 to 90 mins by scintillation counting
50044570	7	ChEMBL_1365881 (CHEMBL3296539)	Displacement of [125I]SS28 from human SST5 expressed in CHO membrane after 60 to 90 mins by scintillation counting
50044570	8	ChEMBL_1365896 (CHEMBL3296554)	Agonist activity at mouse SST3 expressed in CHO-K1 cells assessed as foreskin-stimulated cAMP accumulation after 45 mins by TR-FRET assay
50007472	1	ChEMBL_200983 (CHEMBL801236)	The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand
50007472	2	ChEMBL_200972 (CHEMBL802059)	The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand
50044570	9	ChEMBL_1365888 (CHEMBL3296546)	Antagonist activity at mouse SST3 expressed in CHO-K1 cells assessed as inhibition of SRIF-14-induced foreskin-stimulated cAMP accumulation after 45 mins by TR-FRET assay
50044571	1	ChEMBL_1365898 (CHEMBL3296556)	Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
50044571	2	ChEMBL_1365899 (CHEMBL3296557)	Inhibition of 2,5,6-[3H]-dopamine uptake at human DAT expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
50044571	3	ChEMBL_1365900 (CHEMBL3296558)	Inhibition of 2,5,6-[3H]-dopamine uptake at human NET expressed in African green monkey COS7 cells incubated for 10 mins prior to radioligand addition measured after 5 mins by scintillation counting analysis
50044571	4	ChEMBL_1365903 (CHEMBL3296598)	Displacement of [3H]-S-citalopram from human SERT expressed in African green monkey COS7 cells incubated for 10 mins prior to [3H]-S-citalopram addition measured after 2 hrs by scintillation counting analysis
50044571	5	ChEMBL_1365904 (CHEMBL3296599)	Binding affinity to human SERT expressed in African green monkey COS7 cells after 2 hrs by scintillation counting analysis
50044572	1	ChEMBL_1366276 (CHEMBL3297609)	Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay
50044573	1	ChEMBL_1366300 (CHEMBL3297633)	Inhibition of CYP3A4 (unknown origin)
50044573	2	ChEMBL_1366302 (CHEMBL3297635)	Inhibition of CYP2D6 (unknown origin)
50044573	3	ChEMBL_1366288 (CHEMBL3297621)	Apparent binding affinity to His-tagged HIV integrase
50044573	4	ChEMBL_1366289 (CHEMBL3297622)	Apparent binding affinity to Trx-His-tagged HIV integrase
50044574	1	ChEMBL_1366316 (CHEMBL3295962)	Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay
50044574	2	ChEMBL_1366315 (CHEMBL3295961)	Inhibition of human FAAH lysate using AMCAA as substrate by fluorescence assay
50044574	3	ChEMBL_1366317 (CHEMBL3295963)	Displacement of [35S]MK-499 from human ERG
50044575	1	ChEMBL_1366689 (CHEMBL3296840)	Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay
50044575	2	ChEMBL_1366691 (CHEMBL3296842)	Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay
50044575	3	ChEMBL_1366692 (CHEMBL3296843)	Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay
50044576	1	ChEMBL_1361313 (CHEMBL3293265)	Inhibition of p-glycoprotein in human MDA435/LCC6MDR cells assessed as concentration required to reduce taxol IC50 by half after 5 days by MTS assay
50044577	1	ChEMBL_1361599 (CHEMBL3295422)	Competitive inhibition of Escherichia coli MurD ligase activity using UDP-N-acetylmuramyl-L-alanine as a substrate
50044577	2	ChEMBL_1361608 (CHEMBL3295431)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase by 1H/13C-HSQC 2D NMR spectroscopy
50044577	3	ChEMBL_1361609 (CHEMBL3295432)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	4	ChEMBL_1361610 (CHEMBL3295433)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 43 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	5	ChEMBL_1361611 (CHEMBL3295434)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 71 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	6	ChEMBL_1361612 (CHEMBL3295435)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 123 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	7	ChEMBL_1361613 (CHEMBL3295436)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 9 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	8	ChEMBL_1361614 (CHEMBL3295437)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 13 by 1H/13C-HSQC 2D NMR spectroscopy
50044577	9	ChEMBL_1361615 (CHEMBL3295438)	Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 56 by 1H/13C-HSQC 2D NMR spectroscopy
50044578	1	ChEMBL_1362704 (CHEMBL3294685)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake
50044578	2	ChEMBL_1362705 (CHEMBL3294686)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake
50044578	3	ChEMBL_1362706 (CHEMBL3294687)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake
50044578	4	ChEMBL_1362707 (CHEMBL3294688)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake
50007476	1	ChEMBL_141158 (CHEMBL749676)	Ability to displace of racemic 13 % of [3H]CP-101606 binding to N-methyl-D-aspartate glutamate receptor 2B in rat forebrain membranes.
50007476	3	ChEMBL_141034 (CHEMBL749388)	Compound was evaluated for its blocking effect against N-methyl-D-aspartate glutamate receptor 2B
50044578	5	ChEMBL_1362709 (CHEMBL3294690)	Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis
50007478	2	ChEMBL_46813 (CHEMBL659699)	The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1) in rat brain
50007478	1	ChEMBL_47003 (CHEMBL658972)	The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2) in mouse spleen
50022867	1	ChEMBL_548154 (CHEMBL1023322)	Inhibition of 5-lipoxygenase
50022867	3	ChEMBL_548155 (CHEMBL1023323)	Inhibition of COX1
50022869	1	ChEMBL_548379 (CHEMBL1034330)	Inhibition of DNA topoisomerase 2 in human HeLa cells by kinetoplast DNA decantation assay
50007480	4	ChEMBL_34349 (CHEMBL649162)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergic receptor (n >= 2)
50007480	17	ChEMBL_32446 (CHEMBL646107)	Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergic receptor
50007480	21	ChEMBL_33600 (CHEMBL652808)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the human prostate Alpha-1A adrenergic receptor subtype
50007480	2	ChEMBL_34348 (CHEMBL649161)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1B adrenergic receptor
50007480	8	ChEMBL_32449 (CHEMBL643397)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergic receptor (n >= 2)
50007480	12	ChEMBL_32448 (CHEMBL643396)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergic receptor
50007480	18	ChEMBL_34013 (CHEMBL645380)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat prostate Alpha-1A adrenergic receptor subtype
50007480	20	ChEMBL_33601 (CHEMBL652809)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the human prostate Alpha-1A adrenergic receptor subtype.
50007480	15	ChEMBL_34014 (CHEMBL645381)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat prostate Alpha-1A adrenergic receptor subtype.
50007480	14	ChEMBL_33735 (CHEMBL647051)	Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adrenergic receptor (n >= 2)
50007480	13	ChEMBL_34633 (CHEMBL647278)	Compound was tested for the tissue binding affinity using [3H]- Prazosin as radioligand to the rat spleen Alpha-1B adrenergic receptor subtype
50007481	2	ChEMBL_105950 (CHEMBL715364)	Activity against Matrix metalloprotease-1 (MMP-1).
50007481	1	ChEMBL_106804 (CHEMBL717492)	Activity against Matrix metalloprotease-2 (MMP-2).
50007481	4	ChEMBL_104576 (CHEMBL714859)	Activity against Matrix metalloprotease-3 (MMP-3).
50044579	1	ChEMBL_1363096 (CHEMBL3293376)	Inhibition of human recombinant CDK2/cyclin E
50044579	2	ChEMBL_1363097 (CHEMBL3293377)	Inhibition of human recombinant CDK5/p25
50044579	3	ChEMBL_1363098 (CHEMBL3293378)	Inhibition of human recombinant CDK9/cyclin T
50044579	4	ChEMBL_1363100 (CHEMBL3293380)	Inhibition of mouse recombinant CLK1
50044579	5	ChEMBL_1363101 (CHEMBL3293381)	Inhibition of human recombinant DYRK1A
50044580	1	ChEMBL_1363103 (CHEMBL3293383)	Agonist activity at alpha5beta1 integrin in human K562 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluorescence assay
50044580	2	ChEMBL_1363104 (CHEMBL3293384)	Agonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as increase of fibronectin-mediated cell adhesion after 30 mins by fluorescence assay
50044580	3	ChEMBL_1363107 (CHEMBL3293387)	Antagonist activity at alphavbeta3 integrin in human SK-MEL-24 cells assessed as inhibition of fibronectin-mediated cell adhesion after 30 mins by fluorescence assay
50044580	4	ChEMBL_1363106 (CHEMBL3293386)	Antagonist activity at alpha5beta1 integrin in human K562 cells assessed as inhibition of fibronectin-mediated cell adhesion after 30 mins by fluorescence assay
50044581	1	ChEMBL_1363478 (CHEMBL3291700)	Binding affinity to IL-2 (unknown origin)
50044581	2	ChEMBL_1363479 (CHEMBL3291701)	Binding affinity to TNF-alpha (unknown origin)
50007485	2	ChEMBL_54945 (CHEMBL669016)	Inhibitory activity against dihydrofolate reductase from rat liver
50044582	1	ChEMBL_1363494 (CHEMBL3291985)	Inhibition of mouse liver 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
50044582	2	ChEMBL_1363487 (CHEMBL3291709)	Inhibition of human placental 17beta-HSD2 microsomal fraction using tritiated estradiol as substrate assessed as formation of estrone by HPLC analysis
50044582	3	ChEMBL_1363489 (CHEMBL3291711)	Inhibition of human placental 17beta-HSD1 cytosolic fraction using tritiated estrone as substrate assessed as formation of estradiol by HPLC analysis
50044583	1	ChEMBL_1363497 (CHEMBL3291988)	Inhibition of rabbit lung ACE assessed as inhibition of hippuryl-histidyl-leucine substrate hydrolysis pretreated for 10 mins followed by addition of 5 mM HHL substrate for 30 mins measured as hippuric acid release
50044584	1	ChEMBL_1363503 (CHEMBL3291994)	Inhibition of AChE (unknown origin) after 5 mins by Ellman's method
50044584	2	ChEMBL_1363504 (CHEMBL3291995)	Inhibition of BuChE (unknown origin) after 5 mins by Ellman's method
50044585	1	ChEMBL_1363515 (CHEMBL3292006)	Inhibition of ovine COX1 using ADHP as substrate after 20 mins by fluorescence assay
50044585	2	ChEMBL_1363516 (CHEMBL3292007)	Inhibition of human recombinant COX2 using ADHP as substrate after 20 mins by fluorescence assay
50044586	1	ChEMBL_1363519 (CHEMBL3292010)	Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 amino acid) after 45 mins by spectrophotometry relative to control
50007496	5	ChEMBL_200528 (CHEMBL806598)	Binding affinity for human receptor subtype hSSTR5.
50007496	4	ChEMBL_200364 (CHEMBL806299)	Binding affinity for human receptor subtype hSSTR2
50007496	3	ChEMBL_200358 (CHEMBL807425)	Binding affinity for human receptor subtype hSSTR1
50007496	7	ChEMBL_200505 (CHEMBL803850)	Binding affinity for human receptor subtype hSSTR3.
50007496	2	ChEMBL_200515 (CHEMBL801019)	Binding affinity for human receptor subtype hSSTR4.
50044586	2	ChEMBL_1363521 (CHEMBL3292012)	Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319 amino acid) after 45 mins by spectrophotometry relative to control
50007496	1	ChEMBL_205579 (CHEMBL873268)	Binding affinity was measured for Tachykinin receptor 1
50044587	1	ChEMBL_1364324 (CHEMBL3293718)	Displacement of [3H]-histamine from human histamine H4 receptor expressed in insect Sf9 cell membrane co-expressing Galphai2/Gbeta1gamma2 subunits after 60 mins by liquid scintillation counting analysis
50044587	2	ChEMBL_1364323 (CHEMBL3293717)	Displacement of [3H]-histamine from human histamine H4 receptor after 45 mins by scintillation counting analysis
50044587	3	ChEMBL_1364325 (CHEMBL3293719)	Antagonist activity at human histamine H4 receptor expressed in gamma-irradiated recombinant CHO cells assessed as inhibition of forskolin/histamine-induced intracellular cAMP accumulation preincubated for 30 mins followed by Eu chelate-labeled cAMP/anti-cAMP mAb addition measured after 1 hr by TR-FRET immunoassay
50044587	4	ChEMBL_1364326 (CHEMBL3293720)	Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membrane after 90 mins
50044588	1	ChEMBL_1364702 (CHEMBL3293744)	Inhibition of Flt3 (unknown origin)
50044588	2	ChEMBL_1364700 (CHEMBL3293742)	Inhibition of c-Met (unknown origin) using poly (Glu,Tyr)4:1 as substrate by homogeneous time-resolved fluorescence assay
50044588	3	ChEMBL_1364703 (CHEMBL3293745)	Inhibition of PDGFR beta (unknown origin)
50044588	4	ChEMBL_1364704 (CHEMBL3293746)	Inhibition of KDR (unknown origin)
50044588	5	ChEMBL_1364705 (CHEMBL3293747)	Inhibition of EGFR (unknown origin)
50044588	6	ChEMBL_1364709 (CHEMBL3293751)	Inhibition of human VAP1
50044588	7	ChEMBL_1364714 (CHEMBL3293756)	Inhibition of c-Met (unknown origin)
50044588	8	ChEMBL_1364715 (CHEMBL3293757)	Inhibition of VEGFR2 (unknown origin)
50044588	9	ChEMBL_1364701 (CHEMBL3293743)	Inhibition of c-Kit (unknown origin)
50044589	1	ChEMBL_1364720 (CHEMBL3293762)	Inhibition of recombinant HIV1 N-terminal His6-tagged integrase expressed in Escherichia coli using 32P-labeled preprocessed HIV-1 U5 DNA as substrate assessed as strand transfer activity after 2 hrs by densitometric analysis
50044589	2	ChEMBL_1365079 (CHEMBL3292068)	Inhibition of HIV1 integrase bound with donor DNA-SPA beads using 3'-end fluorescein isothiocyanate labeled target DNA as substrate assessed as strand transfer activity incubated prior to substrate addition
50044589	3	ChEMBL_1364716 (CHEMBL3293758)	Inhibition of HIV1 integrase strand transfer activity
50044589	4	ChEMBL_1364721 (CHEMBL3293763)	Inhibition of recombinant HIV1 integrase bound with donor DNA-SPA beads using [3H] target DNA as substrate assessed as strand transfer activity preincubated for 60 mins followed by substrate addition measured after 25 to 45 mins
50044590	1	ChEMBL_1365081 (CHEMBL3292070)	Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP after 30 mins incubation by scintillation counting analysis
50007505	1	ChEMBL_160791 (CHEMBL766602)	Displacement of [3H]PDBu from recombinant Protein kinase C delta
50044591	1	ChEMBL_1365563 (CHEMBL3297272)	Inhibition of CDK2/cyclin A2 (unknown origin)
50044592	1	ChEMBL_1367645 (CHEMBL3299296)	Inhibition of CDK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP
50044592	2	ChEMBL_1367646 (CHEMBL3299297)	Inhibition of CDK5 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP
50044592	3	ChEMBL_1367647 (CHEMBL3299298)	Inhibition of DYRK1A (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP
50044592	4	ChEMBL_1367648 (CHEMBL3299299)	Inhibition of mouse recombinant GST-fused CLK1 expressed in Escherichia coli cells assessed as inhibition of phosphate incorporation using GRSRSRSRSRSR and [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50044592	5	ChEMBL_1367652 (CHEMBL3299303)	Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP
50044592	6	ChEMBL_1367649 (CHEMBL3299300)	Inhibition of rat DYRK1A assessed as inhibition of phosphate incorporation using GRSRSRSRSRSR and [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50044592	7	ChEMBL_1367654 (CHEMBL3299305)	Inhibition of CDK2/cyclin A (unknown origin)
50044592	8	ChEMBL_1367655 (CHEMBL3299306)	Inhibition of CDK5/p25 (unknown origin) assessed as inhibition of phosphate incorporation using histone 1 and [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50044592	9	ChEMBL_1367656 (CHEMBL3299307)	Inhibition of CDK9/cyclin T (unknown origin)
50044592	10	ChEMBL_1367658 (CHEMBL3299309)	Inhibition of CLK2 (unknown origin)
50044592	11	ChEMBL_1367659 (CHEMBL3299310)	Inhibition of CLK3 (unknown origin)
50044592	12	ChEMBL_1367660 (CHEMBL3299311)	Inhibition of CLK4 (unknown origin)
50044592	13	ChEMBL_1367661 (CHEMBL3299312)	Inhibition of DYRK1B (unknown origin)
50044592	14	ChEMBL_1367662 (CHEMBL3299313)	Inhibition of DYRK2 (unknown origin)
50044592	15	ChEMBL_1367663 (CHEMBL3299314)	Inhibition of DYRK3 (unknown origin)
50044593	1	ChEMBL_1367999 (CHEMBL3300844)	Inhibition of human PIM2 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting analysis in presence of [P33gamma]-ATP
50044593	2	ChEMBL_1367998 (CHEMBL3300843)	Inhibition of human PIM3 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting analysis in presence of [P33gamma]-ATP
50044593	3	ChEMBL_1367977 (CHEMBL3300822)	Inhibition of CYP2D6 (unknown origin)
50044593	4	ChEMBL_1367975 (CHEMBL3300820)	Inhibition of CYP2C9 (unknown origin)
50044593	5	ChEMBL_1367976 (CHEMBL3300821)	Inhibition of CYP3A4 (unknown origin)
50044593	6	ChEMBL_1367966 (CHEMBL3300811)	Inhibition of CDK2 (unknown origin)
50044593	7	ChEMBL_1367967 (CHEMBL3300812)	Inhibition of CDC7 (unknown origin)
50044593	8	ChEMBL_1368133 (CHEMBL3301278)	Inhibition of EphA2 (unknown origin)
50044593	9	ChEMBL_1368134 (CHEMBL3301279)	Inhibition of FAK (unknown origin)
50044593	10	ChEMBL_1368132 (CHEMBL3301277)	Inhibition of FGFR1 (unknown origin)
50044593	11	ChEMBL_1368130 (CHEMBL3301275)	Inhibition of FLT3 (unknown origin)
50044593	12	ChEMBL_1368131 (CHEMBL3301276)	Inhibition of GSK3beta (unknown origin)
50044593	13	ChEMBL_1368039 (CHEMBL3300966)	Inhibition of haspin (unknown origin)
50044593	14	ChEMBL_1368037 (CHEMBL3300964)	Inhibition of IGFR1 (unknown origin)
50044593	15	ChEMBL_1368038 (CHEMBL3300965)	Inhibition of IKK2 (unknown origin)
50044593	16	ChEMBL_1368034 (CHEMBL3300961)	Inhibition of IR (unknown origin)
50044593	17	ChEMBL_1368035 (CHEMBL3300962)	Inhibition of JAK1 (unknown origin)
50044593	18	ChEMBL_1368036 (CHEMBL3300963)	Inhibition of JAK2 (unknown origin)
50044593	19	ChEMBL_1368032 (CHEMBL3300959)	Inhibition of JAK3 (unknown origin)
50007509	1	ChEMBL_62573 (CHEMBL671504)	Compound was tested for its binding affinity towards Dopamine receptor D2 using [3H]spiperone from rat striatum
50044593	20	ChEMBL_1368033 (CHEMBL3300960)	Inhibition of KIT (unknown origin)
50007509	10	ChEMBL_138962 (CHEMBL742774)	Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M3 using [3H]NMS from rat submaxillary gland
50007509	8	ChEMBL_140190 (CHEMBL744907)	Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]NMS from rat heart
50007509	4	ChEMBL_154225 (CHEMBL760115)	Compound was tested for its binding affinity towards PCP receptor using [3H](+)-NANM in the presence of 5 uM haloperidol from rat brain
50007509	9	ChEMBL_34029 (CHEMBL646168)	Compound was tested for its binding affinity towards Alpha-1A adrenergic receptor using [3H]prazosin from rat submaxillary gland
50007509	11	ChEMBL_154091 (CHEMBL873407)	Compound was tested for its binding affinity towards PCP receptor using [3H](+)-NANM in the presence of 5 uM haloperidol from rat brain
50007509	2	ChEMBL_34641 (CHEMBL647286)	Compound was tested for its binding affinity towards Alpha-1B adrenergic receptor using [3H]prazosin from rat liver
50044593	21	ChEMBL_1368030 (CHEMBL3300957)	Inhibition of LCK (unknown origin)
50007509	3	ChEMBL_200978 (CHEMBL802065)	Compound was tested for its binding affinity towards sigma 1 receptor using [3H](+)-pentazocine from guinea pig brain
50044593	22	ChEMBL_1368031 (CHEMBL3300958)	Inhibition of LYN (unknown origin)
50044593	23	ChEMBL_1368027 (CHEMBL3300954)	Inhibition of MAPKAPK2 (unknown origin)
50044593	24	ChEMBL_1368028 (CHEMBL3300955)	Inhibition of MELK (unknown origin)
50044593	25	ChEMBL_1368029 (CHEMBL3300956)	Inhibition of c-MET (unknown origin)
50044593	26	ChEMBL_1368025 (CHEMBL3300952)	Inhibition of MNK2 (unknown origin)
50044593	27	ChEMBL_1368026 (CHEMBL3300953)	Inhibition of MPS1 (unknown origin)
50007510	1	ChEMBL_70567 (CHEMBL682095)	Inhibition of Farnesyltransferase
50044593	28	ChEMBL_1368023 (CHEMBL3300950)	Inhibition of MST4 (unknown origin)
50007511	3	ChEMBL_210947 (CHEMBL813071)	Compound was tested for inhibition of V-ATPase from human kidney cortex(hK)
50044593	29	ChEMBL_1368024 (CHEMBL3300951)	Inhibition of NEK6 (unknown origin)
50007511	1	ChEMBL_210943 (CHEMBL812903)	Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc)
50044593	30	ChEMBL_1368021 (CHEMBL3300948)	Inhibition of NIM1 (unknown origin)
50044593	31	ChEMBL_1368022 (CHEMBL3300949)	Inhibition of P38alpha (unknown origin)
50007511	6	ChEMBL_210944 (CHEMBL812904)	Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc)
50044593	32	ChEMBL_1368019 (CHEMBL3300946)	Inhibition of PAK4 (unknown origin)
50044593	33	ChEMBL_1368016 (CHEMBL3300861)	Inhibition of PDK1 (unknown origin)
50044593	34	ChEMBL_1368017 (CHEMBL3300862)	Inhibition of PERK (unknown origin)
50044593	35	ChEMBL_1368014 (CHEMBL3300859)	Inhibition of PKC-beta (unknown origin)
50044593	36	ChEMBL_1368015 (CHEMBL3300860)	Inhibition of PLK1 (unknown origin)
50044593	37	ChEMBL_1368011 (CHEMBL3300856)	Inhibition of RET (unknown origin)
50044593	38	ChEMBL_1368012 (CHEMBL3300857)	Inhibition of ROS1 (unknown origin)
50044593	39	ChEMBL_1368009 (CHEMBL3300854)	Inhibition of Syk (unknown origin)
50044593	40	ChEMBL_1368010 (CHEMBL3300855)	Inhibition of TRKA (unknown origin)
50044593	41	ChEMBL_1368006 (CHEMBL3300851)	Inhibition of TLK2 (unknown origin)
50044593	42	ChEMBL_1368150 (CHEMBL3301295)	Inhibition of human PIM1 using ARK-RERTYSFGHHA as substrate incubated for 60 mins prior to substrate addition by topcount scintillation counting analysis in presence of [P33gamma]-ATP
50044593	43	ChEMBL_1368148 (CHEMBL3301293)	Inhibition of Bcr-ABL (unknown origin)
50044593	44	ChEMBL_1368149 (CHEMBL3301294)	Inhibition of ACK1 (unknown origin)
50044593	45	ChEMBL_1368146 (CHEMBL3301291)	Inhibition of AKT1 (unknown origin)
50044593	46	ChEMBL_1368147 (CHEMBL3301292)	Inhibition of ALK (unknown origin)
50007513	1	ChEMBL_158768 (CHEMBL772929)	Inhibitory activity was measured against wild-type HIV-1 protease
50007513	2	ChEMBL_158766 (CHEMBL772927)	Inhibitory activity was measured against wild-type HIV-1 protease
50007515	6	ChEMBL_38607 (CHEMBL652290)	Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates
50044593	47	ChEMBL_1368145 (CHEMBL3301290)	Inhibition of aurora kinase 1 (unknown origin)
50044593	48	ChEMBL_1368143 (CHEMBL3301288)	Inhibition of aurora kinase 2 (unknown origin)
50044593	49	ChEMBL_1368144 (CHEMBL3301289)	Inhibition of BUB1 (unknown origin)
50044593	50	ChEMBL_1368007 (CHEMBL3300852)	Inhibition of TYK2 (unknown origin)
50044593	51	ChEMBL_1368008 (CHEMBL3300853)	Inhibition of VEGFR2 (unknown origin)
50044593	52	ChEMBL_1368004 (CHEMBL3300849)	Inhibition of VGFR3 (unknown origin)
50044593	53	ChEMBL_1368005 (CHEMBL3300850)	Inhibition of ZAP70 (unknown origin)
50044593	54	ChEMBL_1368141 (CHEMBL3301286)	Inhibition of BRK (unknown origin)
50044593	55	ChEMBL_1368142 (CHEMBL3301287)	Inhibition of CDC7/DBF4 (unknown origin)
50044593	56	ChEMBL_1368139 (CHEMBL3301284)	Inhibition of CHK1 (unknown origin)
50044593	57	ChEMBL_1368138 (CHEMBL3301283)	Inhibition of EEF2K (unknown origin)
50044593	58	ChEMBL_1368136 (CHEMBL3301281)	Inhibition of EGFR1 (unknown origin)
50044593	59	ChEMBL_1368135 (CHEMBL3301280)	Inhibition of ERK2 (unknown origin)
50044594	2	ChEMBL_1368181 (CHEMBL3299229)	Inhibition of JAK1 (unknown origin) using poly(Glu)4Tyr as substrate assessed as 33P incorporation after 20 mins by scintillation counting analysis in presence of radiolabelled ATP
50044594	3	ChEMBL_1368153 (CHEMBL3299201)	Inhibition of JAK2 (unknown origin)
50044594	4	ChEMBL_1368154 (CHEMBL3299202)	Inhibition of JAK3 (unknown origin)
50044594	5	ChEMBL_1368188 (CHEMBL3299324)	Inhibition of JAK3 in mouse HT-2 clone A5E cells assessed as inhibition of interleukin-2-induced STAT-5 phosphorylation at Y694 preincubated for 1 hr followed by interleukin-2 induction measured after 15 mins by FACS analysis
50044594	6	ChEMBL_1368152 (CHEMBL3301297)	Inhibition of JAK1 (unknown origin)
50044594	7	ChEMBL_1368166 (CHEMBL3299214)	Inhibition of recombinant JAK3 kinase domain (unknown origin) using FITC-KGGEEEEYFELVKK as substrate assessed as inhibition of substrate phosphorylation by peptide mobility shift assay
50044594	8	ChEMBL_1368164 (CHEMBL3299212)	Inhibition of recombinant GST-fused JAK1 kinase domain (852 to 1142) (unknown origin) using 5-FAM-KKSRGDYMTMQIG as substrate assessed as inhibition of substrate phosphorylation by peptide mobility shift assay
50044594	9	ChEMBL_1368165 (CHEMBL3299213)	Inhibition of recombinant JAK2 kinase domain (unknown origin) using FITC-KGGEEEEYFELVKK as substrate assessed as inhibition of substrate phosphorylation by peptide mobility shift assay
50044594	10	ChEMBL_1368182 (CHEMBL3299230)	Inhibition of JAK2 (unknown origin) using poly(Glu)4Tyr as substrate assessed as 33P incorporation after 20 mins by scintillation counting analysis in presence of radiolabelled ATP
50044594	11	ChEMBL_1368157 (CHEMBL3299205)	Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by FACS analysis
50044594	12	ChEMBL_1368183 (CHEMBL3299319)	Inhibition of JAK3 (unknown origin) using poly(Glu)4Tyr as substrate assessed as 33P incorporation after 20 mins by scintillation counting analysis in presence of radiolabelled ATP
50044594	13	ChEMBL_1368159 (CHEMBL3299207)	Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition measured after 15 mins by FACS analysis
50044594	14	ChEMBL_1368155 (CHEMBL3299203)	Inhibition of TYK2 (unknown origin)
50044594	15	ChEMBL_1368167 (CHEMBL3299215)	Inhibition of recombinant GST-fused TYK2 kinase domain (870 to 1187) (unknown origin) harboring C1187S modification using 5-FAM-KKSRGDYMTMQIG as substrate assessed as inhibition of substrate phosphorylation by peptide mobility shift assay
50044594	16	ChEMBL_1368156 (CHEMBL3299204)	Inhibition of JAK1/JAK3 in human whole blood assessed as inhibition of IL-15-induced STAT-5 phosphorylation preincubated for 45 mins followed by IL-15 addition measured after 15 mins by FACS analysis
50044594	17	ChEMBL_1368160 (CHEMBL3299208)	Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by FACS analysis
50044594	18	ChEMBL_1368161 (CHEMBL3299209)	Inhibition of JAK2 homodimer in human CD34+ cells spiked into human whole blood assessed as inhibition of EPO-induced STAT-5 phosphorylation preincubated for 45 mins followed by EPO addition measured after 15 mins by FACS analysis
50044594	19	ChEMBL_1368158 (CHEMBL3299206)	Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-12-induced STAT-4 phosphorylation preincubated for 45 mins followed by IL-12 addition measured after 15 mins by FACS analysis
50044594	20	ChEMBL_1368168 (CHEMBL3299216)	Inhibition of JAK2 homodimer in human monocytes assessed as inhibition of GM-CSF-induced STAT-5 phosphorylation preincubated for 60 mins followed by GM-CSF addition measured after 8 to 20 mins by FACS analysis
50007521	5	ChEMBL_196601 (CHEMBL799679)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50007521	16	ChEMBL_195638 (CHEMBL795956)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR beta
50007521	11	ChEMBL_195186 (CHEMBL802719)	Inhibition of binding to retinoid A receptor RAR alpha
50007521	3	ChEMBL_196494 (CHEMBL798308)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50007521	12	ChEMBL_196492 (CHEMBL798306)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50044595	1	ChEMBL_1368329 (CHEMBL868675)	Inhibition of recombinant full length RSK2 (unknown origin) using biotin-AGAGRSRHSSYPAGT-OH as substrate after 150 mins
50007521	14	ChEMBL_196163 (CHEMBL804936)	Transcriptional activation in CV-1 cells expressing retinoic A receptor RAR gamma
50044595	2	ChEMBL_1368326 (CHEMBL868672)	Inhibition of JAK2 (unknown origin)
50007521	2	ChEMBL_196162 (CHEMBL804935)	Transcriptional activation in CV-1 cells expressing retinoid A receptor RAR gamma
50044595	3	ChEMBL_1368327 (CHEMBL868673)	Inhibition of aurora A (unknown origin)
50007521	10	ChEMBL_196647 (CHEMBL800760)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50044595	4	ChEMBL_1368328 (CHEMBL868674)	Inhibition of RSK2 in mouse BAF cells assessed as YB1 phosphorylation at Ser102 by electrochemiluminescence assay
50007523	7	ChEMBL_31170 (CHEMBL641135)	Inhibition of human alcohol dehydrogenase gamma2 activity
50007523	4	ChEMBL_31169 (CHEMBL641134)	Inhibition of human alcohol dehydrogenase beta 1 activity
50007523	5	ChEMBL_31173 (CHEMBL641138)	Inhibition of human alcohol dehydrogenase sigma activity
50007523	3	ChEMBL_31168 (CHEMBL646633)	Inhibition of human alcohol dehydrogenase alpha activity
50007523	6	ChEMBL_31171 (CHEMBL641136)	Inhibition of human alcohol dehydrogenase pi activity
50007523	2	ChEMBL_31175 (CHEMBL641140)	Inhibitory activity against human alcohol dehydrogenase sigma.
50044596	1	ChEMBL_1368331 (CHEMBL864781)	Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with ICAM-1 preincubated for 30 mins followed by ICAM-1 addition measured after 60 mins by ELISA
50044597	1	ChEMBL_1368555 (CHEMBL3300697)	Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis
50044597	2	ChEMBL_1368552 (CHEMBL3300694)	Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis
50044597	3	ChEMBL_1368553 (CHEMBL3300695)	Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis
50044597	4	ChEMBL_1368554 (CHEMBL3300696)	Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis
50044598	1	ChEMBL_1368653	Inhibition of ERK2 in human HepG2 cells assessed as P90RSK phosphorylation at Ser380 after 1.5 hrs by fluorescence assay
50044598	2	ChEMBL_1368656	Inhibition of Cdk2 (unknown origin)
50007529	6	ChEMBL_72362 (CHEMBL686599)	Inhibition of binding to Growth factor receptor bound protein 2 (Grb2) SH2 domain
50007529	4	ChEMBL_200630 (CHEMBL802964)	Inhibition of interaction between the activated tyrosine kinase receptors and Shp2 SH2 domains in the Ras signal transduction pathway.
50007529	1	ChEMBL_198752 (CHEMBL873005)	Inhibition of binding to SH2 domain of SHC-PTB
50007529	5	ChEMBL_221514 (CHEMBL841497)	Inhibition of binding to p56 Lck tyrosine kinase SH2 domain
50007530	3	ChEMBL_104745 (CHEMBL710745)	Inhibition of MMP-3 (Matrix metalloprotease-3)
50007530	1	ChEMBL_106447 (CHEMBL717318)	Inhibition of MMP-1 (Matrix metalloprotease-1)
50044598	3	ChEMBL_1368652	Inhibition of human recombinant N-terminal 6-His-tagged ERK2 expressed in Escherichia coli using S/T17 as substrate after 30 mins by spectrophotometry
50007531	4	ChEMBL_104881 (CHEMBL709179)	Inhibition of Matrix metalloprotease-3
50007531	1	ChEMBL_105216 (CHEMBL713853)	Inhibition of Matrix metalloprotease-8
50007531	3	ChEMBL_106449 (CHEMBL717833)	Inhibition of Matrix metalloprotease-1
50007531	2	ChEMBL_104564 (CHEMBL714224)	Inhibition of Matrix metalloprotease-2
50007532	4	ChEMBL_216860 (CHEMBL816697)	Inhibition of chicken c-Src tyrosine kinase
50007532	3	ChEMBL_158357 (CHEMBL770468)	Inhibitory concentration of compound against mouse Platelet-derived growth factor receptor
50007532	2	ChEMBL_66582 (CHEMBL683042)	Inhibition of human epidermal growth factor receptor
50007540	3	ChEMBL_216983 (CHEMBL822800)	Direct activation of chloride current in Xenopus laevis oocytes expressing human alpha-1-beta-1-gamma-2 GABA-A receptor subunits
50007540	1	ChEMBL_217117 (CHEMBL821856)	Modulation of GABA-induced chloride currents in Xenopus laevis oocytes expressing human alpha-1-beta-1-gamma-2 GABA-A receptor subunits
50007543	2	ChEMBL_215468 (CHEMBL816938)	Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc)
50044599	1	ChEMBL_1369049 (CHEMBL3300162)	Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis
50044599	2	ChEMBL_1369057 (CHEMBL3300170)	Agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as induction of ERK1/2 phosphorylation by AlphaScreen assay
50044599	3	ChEMBL_1369055 (CHEMBL3300168)	Agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as inhibition of forskolin-stimulated cAMP production treated for 30 mins by AlphaScreen assay
50009993	8	ChEMBL_70249 (CHEMBL682708)	Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 expressed in L(tk-)cells
50009993	7	ChEMBL_70404 (CHEMBL680431)	Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-)cells
50009993	9	ChEMBL_69812 (CHEMBL677847)	Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-)cells
50044599	4	ChEMBL_1369051 (CHEMBL3300164)	Antagonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as inhibition of dopamine-induced ERK1/2 phosphorylation treated for 30 mins prior to dopamine stimulation for 5 mins by AlphaScreen assay
50044599	5	ChEMBL_1369053 (CHEMBL3300166)	Partial agonist activity at human D2L receptor expressed in FlpIn CHO cells assessed as induction of ERK1/2 phosphorylation by AlphaScreen assay
50044600	1	ChEMBL_1369154 (CHEMBL3300585)	Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluorescence analysis
50044600	2	ChEMBL_1369155 (CHEMBL3300586)	Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluorescence analysis
50044600	3	ChEMBL_1369164 (CHEMBL3300595)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS/competitive screening assay
50044600	4	ChEMBL_1369165 (CHEMBL3300596)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS/competitive screening assay
50044600	5	ChEMBL_1369166 (CHEMBL3300597)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS/competitive screening assay
50044600	6	ChEMBL_1369167 (CHEMBL3300598)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS/competitive screening assay
50044600	7	ChEMBL_1369168 (CHEMBL3300599)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS/competitive screening assay
50007551	3	ChEMBL_3888 (CHEMBL619403)	Inhibition of 5-lipoxygenase mediated conversion of [14C]arachidonic acid to leukotrienes in RBL-2H3 cells
50044600	8	ChEMBL_1369156 (CHEMBL3300587)	Inhibition of human TRPV1
50022895	2	ChEMBL_548784 (CHEMBL1024237)	Inhibition of Wistar rat intestinal maltase
50022895	5	ChEMBL_548786 (CHEMBL1025047)	Inhibition of Wistar rat intestinal isomaltase
50022895	4	ChEMBL_548788 (CHEMBL1025049)	Inhibition of Wistar rat intestinal sucrase
50022895	1	ChEMBL_548790 (CHEMBL1025051)	Inhibition of Wistar rat liver lysosomal alpha-glucosidase
50022895	3	ChEMBL_548796 (CHEMBL1034287)	Inhibition of Wistar rat intestinal lactase
50022895	6	ChEMBL_548799 (CHEMBL1034290)	Inhibition of bovine epididymis alpha-L-fucosidase at 1000 uM
50044601	1	ChEMBL_1369179	Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay
50044601	2	ChEMBL_1369174 (CHEMBL862902)	Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay
50044601	3	ChEMBL_1369176	Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay
50044601	4	ChEMBL_1369177	Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP accumulation assay
50044601	5	ChEMBL_1369178	Agonist activity at human beta3 adrenergic receptor expressed in cells by cAMP accumulation assay
50044602	1	ChEMBL_1367094	Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane
50044602	2	ChEMBL_1367095	Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart
50044602	3	ChEMBL_1367096	Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland
50007554	3	ChEMBL_2256 (CHEMBL617199)	Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]ketanserin
50007554	4	ChEMBL_2787 (CHEMBL617856)	Affinity towards 5-hydroxytryptamine 2C receptor in membranes from pig choroid plexus using [3H]N-methyl-mesulergine
50007554	2	ChEMBL_59315 (CHEMBL670209)	Affinity towards Dopamine receptor D2 in membranes from bovine striatum using [3H]raclopride
50007554	6	ChEMBL_561 (CHEMBL615581)	Affinity towards 5-hydroxytryptamine 1A receptor in membranes from bovine hippocampus using [3H]OH-DPAT
50007554	5	ChEMBL_1771 (CHEMBL616555)	Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal cortex using [3H]5-HT
50007554	1	ChEMBL_33583 (CHEMBL647134)	Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]prazosin
50007555	1	ChEMBL_157717 (CHEMBL763391)	Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC
50044603	1	ChEMBL_1367108 (CHEMBL3299702)	Inhibition of PTP1B (unknown origin)
50044603	2	ChEMBL_1367112 (CHEMBL3299845)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of [3H]cortisone to [3H]cortisol conversion by SPA
50044604	1	ChEMBL_1367199	Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate after 30 mins
50044604	2	ChEMBL_1367200	Irreversible inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate
50044604	3	ChEMBL_1367201	Irreversible inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate preincubated for 30 mins followed by substrate addition
50044604	4	ChEMBL_1367202	Irreversible inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate preincubated for 60 mins followed by substrate addition
50044604	5	ChEMBL_1367203	Competitive inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate by Michaelis-Menten equation analysis
50044605	1	ChEMBL_1367230 (CHEMBL3299911)	Inhibition of PDE5 (unknown origin)
50044606	1	ChEMBL_1367235	Displacement of [3H]U-69593 from kappa-opoid receptor in guinea pig brain membrane
50044606	2	ChEMBL_1367237	Displacement of [3H]-deltorphin 2 from human delta-opioid receptor transfected in CHO-K1 cell by scintillation counting
50044606	3	ChEMBL_1367238	Displacement of [3H]-naloxone from human mu-opioid receptor transfected in CHO-K1 cell by scintillation counting
50044606	4	ChEMBL_1367242	Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain membrane
50044606	5	ChEMBL_1367244	Agonist activity at recombinant kappa-opioid receptor in human HEK293 cells by [35S]-GTP-gammaS binding assay
50044607	1	ChEMBL_1367248 (CHEMBL3300064)	Competitive inhibition of GLO1 (unknown origin)
50044607	2	ChEMBL_1367245 (CHEMBL3300061)	Inhibition of GLO1 (unknown origin)
50044608	1	ChEMBL_1367249	Inhibition of human recombinant MAO-A assessed as H2O2 production using p-tyramine substrate by fluorimetric method
50044608	2	ChEMBL_1367301 (CHEMBL866116)	Inhibition of human recombinant MAO-B assessed as H2O2 production using p-tyramine substrate by fluorimetric method
50044609	1	ChEMBL_1367335 (CHEMBL3300366)	Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins
50044610	1	ChEMBL_1367425 (CHEMBL3300779)	Inhibition of recombinant CYP3A4 (unknown origin) by LC/MS/MS analysis
50044610	2	ChEMBL_1367426 (CHEMBL3300780)	Inhibition of recombinant CYP2D6 (unknown origin) by LC/MS/MS analysis
50044610	3	ChEMBL_1367427 (CHEMBL3300781)	Inhibition of recombinant CYP1A2 (unknown origin) by LC/MS/MS analysis
50007563	2	ChEMBL_123290 (CHEMBL732391)	The inhibitory concentration against Monoamine oxidase A
50007564	3	ChEMBL_30144 (CHEMBL640591)	Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits.
50007564	6	ChEMBL_27589 (CHEMBL644141)	Displacement of [3H]CHA from human Adenosine A1 receptor expressed in CHO cells
50007564	2	ChEMBL_28206 (CHEMBL637699)	Displacement of [3H]CHA from human Adenosine A1 receptor expressed in CHO cells
50007564	1	ChEMBL_29645 (CHEMBL639752)	Displacement of [3H]CHA from rat cortical membrane Adenosine A1 receptor. Parenthesis indicate 95% confidence limit.
50007564	7	ChEMBL_31376 (CHEMBL644668)	Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells
50007564	4	ChEMBL_31972 (CHEMBL640525)	Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells
50007565	4	ChEMBL_1309 (CHEMBL616686)	Affinity at [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor in rat brain homogenate was determined
50044610	4	ChEMBL_1367428 (CHEMBL3300782)	Inhibition of recombinant CYP2C9 (unknown origin) by LC/MS/MS analysis
50007565	3	ChEMBL_2608 (CHEMBL617476)	Affinity at [3H]ketanserin-labeled 5-hydroxytryptamine 2A receptor in rat brain homogenate was determined
50007565	5	ChEMBL_2493 (CHEMBL617380)	Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor using [3H]- rauwolscine as radioligand
50007565	8	ChEMBL_2495 (CHEMBL617382)	Binding ability of compound at cloned human 5-hydroxytryptamine 2B receptor using [3H]rauwolscine as radioligand
50007566	2	ChEMBL_149175 (CHEMBL762090)	Binding affinity for rat oxytocin receptor (OT-R)
50007566	1	ChEMBL_149043 (CHEMBL762236)	Binding affinity for cloned human oxytocin receptor (OT-R)
50044610	5	ChEMBL_1367429 (CHEMBL3300783)	Inhibition of recombinant CYP2C19 (unknown origin) by LC/MS/MS analysis
50044611	1	ChEMBL_1367449	Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence method
50044612	1	ChEMBL_1367455 (CHEMBL3300908)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50007570	6	ChEMBL_2500 (CHEMBL617387)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes.
50007570	10	ChEMBL_60372 (CHEMBL672208)	The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes.
50007570	5	ChEMBL_1650 (CHEMBL616742)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D receptor from cloned gorilla membranes expressed in cultured HEK 293 cells
50007570	8	ChEMBL_60371 (CHEMBL672207)	The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes
50007570	1	ChEMBL_959 (CHEMBL872105)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes.
50007570	7	ChEMBL_2499 (CHEMBL617386)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes
50007570	3	ChEMBL_60826 (CHEMBL675815)	The compound was tested for CNS binding affinity towards Dopamine receptor D4 from cloned Human membranes.
50007570	2	ChEMBL_958 (CHEMBL616137)	The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes
50044612	2	ChEMBL_1367456 (CHEMBL3300909)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50007570	4	ChEMBL_60825 (CHEMBL675814)	The compound was tested for CNS binding affinity towards Dopamine receptor D4 from cloned Human membranes
50007572	5	ChEMBL_205493 (CHEMBL810213)	Inhibition of stromelysin-1
50007572	7	ChEMBL_104909 (CHEMBL713445)	Inhibition of matrilysin (Matrix metalloprotease-7)
50007572	2	ChEMBL_106283 (CHEMBL714632)	Inhibition of Matrix Metalloprotease-1
50007572	9	ChEMBL_104888 (CHEMBL709186)	Inhibition of Matrix Metalloprotease-3
50007572	10	ChEMBL_106443 (CHEMBL718667)	Inhibition of Matrix Metalloprotease-1
50007572	1	ChEMBL_104904 (CHEMBL713440)	Inhibition of Matrix Metalloprotease-3
50007573	2	ChEMBL_162330 (CHEMBL766585)	Compound was tested in a functional ion channel assay of ATP-induced current at recombinant rat P2X3 receptor expressed in Xenopus oocytes.
50007573	1	ChEMBL_162329 (CHEMBL856215)	Compound was tested in a functional ion channel assay of ATP-induced current at recombinant rat P2X1 receptor expressed in Xenopus oocytes.
50007573	3	ChEMBL_162208 (CHEMBL767216)	Compound was tested in a functional ion channel assay of ATP-induced current at recombinant rat P2X1 receptor expressed in Xenopus oocytes.
50007576	3	ChEMBL_1350 (CHEMBL616535)	Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT trifluoroacetate as radioligand
50007576	7	ChEMBL_1621 (CHEMBL616646)	Compound was tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)
50044612	3	ChEMBL_1367457 (CHEMBL3300910)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50007576	2	ChEMBL_1880 (CHEMBL616477)	Compound was tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)
50007577	2	ChEMBL_161953 (CHEMBL769207)	Inhibition of Lyn kinase against 100 uM cdc2 substrate
50007577	3	ChEMBL_221317 (CHEMBL841207)	Inhibition of p56 Lck kinase against 100 uM cdc2 substrate
50007577	1	ChEMBL_216865 (CHEMBL816864)	Inhibition of c-Src tyrosine kinase against 100 uM cdc2 substrate
50044612	4	ChEMBL_1367458 (CHEMBL3300911)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50044613	1	ChEMBL_1367553	Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current
50007580	1	ChEMBL_72308 (CHEMBL686166)	Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.
50044614	1	ChEMBL_1367589	Agonist activity at GPR52 (unknown origin)
50044614	2	ChEMBL_1367592	Agonist activity at human GPR52 expressed in CHO cells assessed as cAMP production after 30 mins by Alphascreen assay
50044615	1	ChEMBL_1367707 (CHEMBL3299551)	Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to cinnamaldehyde addition by FLIPR assay relative to control
50007587	1	ChEMBL_70183 (CHEMBL685320)	Binding affinity to human fibrinogen receptor
50007588	1	ChEMBL_200965 (CHEMBL802053)	Binding affinity against sigma-1 receptor in guinea pig brain membranes using [3H](+)-pentazocine as the radioligand
50007588	2	ChEMBL_200966 (CHEMBL802054)	Compound tested for binding affinity towards sigma 1 receptor in quinea pig brain membranes using [3H](+)-pentazocine as the radioligand.
50044615	2	ChEMBL_1367708 (CHEMBL3299552)	Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to cinnamaldehyde addition by FLIPR assay relative to control
50044615	3	ChEMBL_1367709 (CHEMBL3299553)	Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to cinnamaldehyde addition by FLIPR assay relative to control
50044615	4	ChEMBL_1367710 (CHEMBL3299554)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced calcium flux incubated 10 mins prior to capsaicin addition by FLIPR assay relative to control
50044615	5	ChEMBL_1367711 (CHEMBL3299555)	Antagonist activity at human TRPV3 expressed in CHOK1 cells assessed as inhibition of 2-APB-induced calcium flux incubated 10 mins prior to 2-APB addition by FLIPR assay relative to control
50044615	6	ChEMBL_1367712 (CHEMBL3299556)	Antagonist activity at human TRPM8 expressed in CHOK1 cells assessed as inhibition of menthol-induced calcium flux incubated 10 mins prior to menthol addition by FLIPR assay relative to control
50044615	7	ChEMBL_1367716 (CHEMBL3299560)	Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of allyl isothiocyanate-induced calcium flux incubated 10 mins prior to allyl isothiocyanate addition by FLIPR assay relative to control
50044615	8	ChEMBL_1367717 (CHEMBL3299561)	Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of dibenzo[b,f ][1,4]oxazepine-4-carboxamide-induced calcium flux incubated 10 mins prior to dibenzo[b,f ][1,4]oxazepine-4-carboxamide addition by FLIPR assay relative to control
50044615	9	ChEMBL_1367706 (CHEMBL3299550)	Antagonist activity at TRPA1 (unknown origin)
50044616	1	ChEMBL_1368197	Inhibition of human ERG channel
50044617	1	ChEMBL_1368204 (CHEMBL3299340)	Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay
50044617	2	ChEMBL_1368205 (CHEMBL3299341)	Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay
50044617	3	ChEMBL_1368206 (CHEMBL3299342)	Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay
50007591	1	ChEMBL_157733 (CHEMBL765171)	Inhibitory activity against HIV protease
50022911	2	ChEMBL_549092 (CHEMBL1011461)	Displacement of [3H]SCH-23390 from rat striatal dopamine D1 receptor
50022911	1	ChEMBL_549091 (CHEMBL1011460)	Displacement of [3H]raclopride from rat striatal dopamine D2 receptor
50007596	4	ChEMBL_215173 (CHEMBL821346)	Displacement of [3H]AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes
50007596	2	ChEMBL_215167 (CHEMBL821340)	Displacement of [3H]AVP from vasopressin receptor (V1a) from human platelet membranes.
50007596	3	ChEMBL_215174 (CHEMBL821347)	Displacement of [3H]AVP from vasopressin V2 receptor of rat kidney medulla.
50007596	1	ChEMBL_215168 (CHEMBL821341)	Displacement of (Phe-3,4,5-H) Vasopressin from V1a receptor from rat liver membranes.
50007597	4	ChEMBL_200971 (CHEMBL882142)	Inhibition Constant for 4-[125I]-IPBS binding to sigma 1 receptor in guinea pig brain membranes
50007597	3	ChEMBL_200968 (CHEMBL802056)	Compound was evaluated for its in vitro competition binding studies using sigma-ligand (0.05-10000 nM) - [3H](+)-pentazocine (sigma1 receptor) in guinea pig brain membranes
50007598	1	ChEMBL_63976 (CHEMBL677602)	Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.
50007599	1	ChEMBL_89880 (CHEMBL700823)	Ability to inhibit the aggregation of fixed human platelets
50044618	1	ChEMBL_1368425	Inhibition of AKT1 (unknown origin) after 30 mins by scintillation counting analysis in presence of 100 uM ATP
50044618	2	ChEMBL_1368413 (CHEMBL870503)	Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP
50044619	1	ChEMBL_1368720	Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay
50044619	2	ChEMBL_1368722	Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay
50044620	1	ChEMBL_1368730 (CHEMBL3301304)	Inhibition of recombinant human MAO-A expressed in insect cells assessed as inhibition of oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50044620	2	ChEMBL_1368731 (CHEMBL3301305)	Inhibition of recombinant human MAO-B expressed in insect cells assessed as inhibition of oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50044621	1	ChEMBL_1368838	Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by liquid scintillation counting analysis
50044621	2	ChEMBL_1368841	Inhibition of FPPS (unknown origin)
50007601	4	ChEMBL_138281 (CHEMBL744238)	Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M1
50044621	3	ChEMBL_1368843	Binding affinity to human FPPS by isothermal titration colorimetry in absence of Mg2+ ions
50007601	6	ChEMBL_139624 (CHEMBL749006)	Binding affinity of [3H]QNB to CHO cells expressing human Muscarinic acetylcholine receptor M2
50007601	2	ChEMBL_138282 (CHEMBL744239)	Binding affinity of compound labeled by [3H]QNB in CHO cells selectively expressing human Muscarinic acetylcholine receptor M1
50044622	1	ChEMBL_1368855 (CHEMBL3299477)	Inhibition of purified TrkA cytoplasmic domain (unknown origin) by HTRF assay
50044622	2	ChEMBL_1368856 (CHEMBL3299478)	Inhibition of phsophorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic assay
50044622	3	ChEMBL_1368858 (CHEMBL3299480)	Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced maximum response after 1 hr by beta-galactosidase assay
50044622	4	ChEMBL_1368860 (CHEMBL3299482)	Binding affinity to His-tagged TrkA (unknown origin) after 1 hr by SPR method
50007601	1	ChEMBL_139108 (CHEMBL749232)	Reversal of forskolin-stimulated accumulation of adenylate cyclase in transfected CHO cells, against Muscarinic acetylcholine receptor M4
50007601	7	ChEMBL_139625 (CHEMBL749007)	Binding affinity of compound labeled by [3H]QNB in CHO cells selectively expressing human Muscarinic acetylcholine receptor M2
50044622	5	ChEMBL_1368957 (CHEMBL3299671)	Inhibition of non-phosphorylated TrkA (unknown origin) assessed as inhibition of fluorescently-labelled substrate phosphorylation by CALIPER enzymatic assay
50044623	1	ChEMBL_1368987	Positive allosteric modulator activity at human mGlu5 receptor
50044623	2	ChEMBL_1368992	Inhibition of CYP1A2 in human liver microsomes
50044623	3	ChEMBL_1368974	Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization by fluorescence assay
50044623	4	ChEMBL_1368981	Positive allosteric modulator activity at rat mGlu1 receptor expressed in HEK293 cells assessed as glutamate-induced calcium mobilization treated 140s prior to glutamate challenge by fluorescence assay
50044623	5	ChEMBL_1368982	Positive allosteric modulator activity at rat mGlu2 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium flux treated 140s prior to gluatamate challenge by fluorescence analysis
50007602	7	ChEMBL_217284 (CHEMBL823754)	Binding affinity for GABA-A alpha-5-beta-3-gamma-2 receptor expressed in L (tk-) cells
50044623	6	ChEMBL_1368983	Positive allosteric modulator activity at rat mGlu4 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium flux treated 140s prior to gluatamate challenge by fluorescence analysis
50044623	7	ChEMBL_1368984	Positive allosteric modulator activity at rat mGlu6 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium flux treated 140s prior to gluatamate challenge by fluorescence analysis
50044623	8	ChEMBL_1368985	Positive allosteric modulator activity at rat mGlu7 receptor expressed in HEK293 cells assessed as L-AP4-induced GIRK channel-mediated thallium flux treated 140s prior to L-AP4 challenge by fluorescence analysis
50044623	9	ChEMBL_1368986	Positive allosteric modulator activity at rat mGlu8 receptor expressed in HEK293 cells assessed as glutamate-induced GIRK channel-mediated thallium flux treated 140s prior to glutamate challenge by fluorescence analysis
50044623	10	ChEMBL_1368993	Inhibition of CYP2C9 in human liver microsomes
50044623	11	ChEMBL_1368994	Inhibition of CYP2D6 in human liver microsomes
50044623	12	ChEMBL_1368995	Inhibition of CYP3A4 in human liver microsomes
50007602	1	ChEMBL_217279 (CHEMBL824295)	Binding affinity for GABA-A alpha-2-beta-3-gamma-2 receptor expressed in L(tk-) cells
50010024	3	ChEMBL_35461 (CHEMBL643891)	Inhibition of alpha-4 beta7/MAdCAM mediated cell adhesion was evaluated using B-cell lymphoma RPMI 8866 cells
50044624	1	ChEMBL_1369100 (CHEMBL3300321)	Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by microplate reader analysis
50044624	2	ChEMBL_1369102 (CHEMBL3300323)	Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by microplate reader analysis
50044625	1	ChEMBL_1369124	Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosphorylation after 30 mins
50044625	2	ChEMBL_1369125	Inhibition of human His-tagged full length AURKA using kemptide peptide as substrate after 60 mins
50044625	3	ChEMBL_1369123	Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins
50007605	1	ChEMBL_52536 (CHEMBL665308)	Compound was tested for its binding affinity against cytidine deaminase.
50007607	4	ChEMBL_158520 (CHEMBL768947)	Test concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Platelet-derived growth factor receptor beta (PDGF RTK).
50007607	5	ChEMBL_214499 (CHEMBL818398)	Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).
50007607	2	ChEMBL_90281 (CHEMBL697346)	Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Insulin-like growth factor I receptor
50007607	3	ChEMBL_78751 (CHEMBL686676)	Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Her-2 receptor tyrosine kinase (HER-2 RTK)
50007607	1	ChEMBL_63615 (CHEMBL676159)	Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Epidermal growth factor receptor (EGF RTK).
50044626	1	ChEMBL_1369221 (CHEMBL3300756)	Inhibition of recombinant BACE-1 (unknown origin) expressed in Escherichia coli measured for 5 to 30 mins by spectrofluorometric analysis
50044626	2	ChEMBL_1369222 (CHEMBL3300757)	Inhibition of cathepsin D in human liver using Lys-Lys-Pro-Ala-Glu-Phe-Phe-Ala-Leu-Lys as substrate by spectrofluorometric analysis
50007613	4	ChEMBL_143511 (CHEMBL755125)	Inhibition of arginine to citrulline conversion by Neuronal nitric oxide synthase from rat brain
50007613	3	ChEMBL_89346 (CHEMBL702888)	Inhibition of radiolabeled arginine conversion to citrulline by isomeric form of Inducible nitric oxide synthase from mouse RAW 264.7 cells
50007613	2	ChEMBL_65140 (CHEMBL677474)	Inhibitory activity of conversion of radiolabeled arginine to citrulline by isomeric form of nitric oxide synthase Endothelial nitric oxide synthase from cultured bovine aortic endothelial cells
50007613	1	ChEMBL_143509 (CHEMBL755123)	Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay
50044626	3	ChEMBL_1369223 (CHEMBL3300758)	Inhibition of BACE-1 in CHO cells expressing wild-type APP assessed as reduction in amyloid beta-40 production after 6 hrs by sandwich ELISA
50044626	4	ChEMBL_1369224 (CHEMBL3300759)	Inhibition of BACE-1 in human SH-SY5Y cells expressing wild-type APP assessed as reduction in amyloid beta-40 production after 16 hrs by sandwich ELISA
50044627	1	ChEMBL_1367181	Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry
50044627	2	ChEMBL_1367182	Inhibition of human recombinant APN using L-Ala-beta-NA as substrate after 30 mins by fluorimetry
50044628	1	ChEMBL_1367282 (CHEMBL3300203)	Inhibition of human placental 17beta-HSD1 cytosolic fraction using [2, 4, 6, 7-3H]-estrone as substrate after 10 mins by HPLC analysis
50044628	2	ChEMBL_1367283 (CHEMBL3300204)	Inhibition of human placental 17beta-HSD2 microsomal fraction using [2, 4, 6, 7-3H]-estradiol as substrate after 20 mins by HPLC analysis
50044629	1	ChEMBL_1367806	Induction of SERT-mediated serotonin release in rat synaptosomes
50044629	2	ChEMBL_1367803	Inhibition of DAT-mediated dopamine uptake in rat synaptosomes
50044629	3	ChEMBL_1367804	Induction of DAT-mediated dopamine release in rat synaptosomes
50044629	4	ChEMBL_1367805	Inhibition of SERT-mediated serotonin uptake in rat synaptosomes
50044629	5	ChEMBL_1367904	Inhibition of DAT (unknown origin)-mediated dopamine reuptake
50044629	6	ChEMBL_1367905	Induction of SERT (unknown origin)-mediated serotonin release
50044630	1	ChEMBL_1367917 (CHEMBL3300526)	Binding affinity to alpha5beta1 integrin (unknown origin)
50044630	2	ChEMBL_1367918 (CHEMBL3300527)	Binding affinity to alpha2b/beta3 integrin (unknown origin)
50044630	3	ChEMBL_1367910 (CHEMBL3300519)	Inhibition of vitronectin binding to human alphaVbeta3 integrin after 2 hrs by ELISA
50044630	4	ChEMBL_1367911 (CHEMBL3300520)	Inhibition of vitronectin binding to human alphaVbeta5 integrin after 1 hr by ELISA
50044630	5	ChEMBL_1367912 (CHEMBL3300521)	Inhibition of fibronectin binding to human alpha5beta1 integrin after 1 hr by ELISA
50044630	6	ChEMBL_1367913 (CHEMBL3300522)	Inhibition of fibrinogen binding to human alpha2b/beta3 integrin after 1 hr by ELISA
50044630	7	ChEMBL_1367915 (CHEMBL3300524)	Binding affinity to alphaVbeta3 integrin (unknown origin)
50044630	8	ChEMBL_1367916 (CHEMBL3300525)	Binding affinity to alphaVbeta5 integrin (unknown origin)
50044631	1	ChEMBL_1368299 (CHEMBL3299604)	Displacement of [125I]BE2254 from human alpha1a receptor expressed in HEK293 cells
50044631	2	ChEMBL_1368300 (CHEMBL3299605)	Displacement of [125I]BE2254 from human alpha1b receptor expressed in HEK293 cells
50007623	1	ChEMBL_143830 (CHEMBL748714)	In vitro binding affinity towards human neuropeptide Y receptor type 1, determined by measuring its ability to displace [125]peptide YY
50044631	3	ChEMBL_1368301 (CHEMBL3299606)	Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells
50044632	1	ChEMBL_1368480 (CHEMBL3300400)	Activation of wild-type CFTR (unknown origin) expressed in forskolin-stimulated CHO cells assessed as increase in iodide efflux by gamma counting
50044633	1	ChEMBL_1368488 (CHEMBL3300408)	Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis
50007626	1	ChEMBL_63348 (CHEMBL679113)	Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in rat A-10 cells.
50007628	3	ChEMBL_61103 (CHEMBL672294)	Binding affinity was evaluated against Dopamine receptor D2 on rat striatum using [3H]spiperone as radioligand; ND = Not determined
50007628	4	ChEMBL_1126 (CHEMBL616071)	Binding affinity was evaluated against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]8-OH-DPAT as radioligand
50010567	6	ChEMBL_222599 (CHEMBL846801)	Inhibition of p100/p85 PI3-kinase (phosphatidylinositol 3-kinase)
50010614	2	ChEMBL_37246 (CHEMBL651567)	Binding affinity towards human Beta-1 adrenergic receptor
50035192	4	ChEMBL_219471 (CHEMBL824219)	Inhibition of cloned isozyme, human carbonic anhydrase I
50035192	5	ChEMBL_219472 (CHEMBL824220)	Inhibition of cloned isozyme, human carbonic anhydrase II
50011120	2	ChEMBL_32641 (CHEMBL640630)	Inhibition of alpha-4-beta-7/MAdCAM interactions
50011330	11	ChEMBL_214674 (CHEMBL821412)	Antagonistic activity against VLA-4 integrin of human jurkat cells using [125I]VCAM-Ig as radioligand
50011330	15	ChEMBL_217605 (CHEMBL821055)	Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells
50011330	13	ChEMBL_217606 (CHEMBL818376)	Inhibition of [125I]VCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cells
50007633	1	ChEMBL_30295 (CHEMBL875505)	Inhibition of 50 uM 5`-(N-ethylcarboxamido)adenosine induced cAMP production in CHO cell line expressing human Adenosine A2B receptor
50007633	3	ChEMBL_30298 (CHEMBL639467)	Inhibition of 50 uM 5`-(N-ethylcarboxamido)adenosine induced cAMP production in CHO cell line expressing human Adenosine A2B receptor at 50 uM
50011330	12	ChEMBL_213392 (CHEMBL818050)	Inhibition of [125I]-VCAM-Ig binding to VLA-4 integrin of human Jurkat cells
50011330	14	ChEMBL_213378 (CHEMBL818161)	Inhibition of [125I]VCAM-Ig binding to VLA-4 integrin of human Jurkat cells
50011396	23	ChEMBL_213388 (CHEMBL818046)	In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.
50011396	25	ChEMBL_213394 (CHEMBL818052)	Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin
50011396	26	ChEMBL_213395 (CHEMBL818053)	Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrin
50011396	27	ChEMBL_217609 (CHEMBL818379)	Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin
50011396	21	ChEMBL_213387 (CHEMBL818045)	Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)
50011396	20	ChEMBL_213550 (CHEMBL816254)	Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)
50011396	22	ChEMBL_217610 (CHEMBL819425)	Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrin
50011396	24	ChEMBL_213393 (CHEMBL818051)	Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrin
50011460	6	ChEMBL_217313 (CHEMBL821834)	Inhibition of VCAM-1 binding to integrin alpha4-beta1 of Jurkat cells
50011460	5	ChEMBL_217810 (CHEMBL821717)	Inhibition of VCAM-1 binding to integrin alphaV-beta3 in Jurkat cells
50011577	6	ChEMBL_217306 (CHEMBL823927)	Inhibition of integrin alpha4-beta1 of human Jurkat cells
50011577	5	ChEMBL_217608 (CHEMBL818378)	Inhibition of integrin alpha4-beta7 of human RPMI-8866 cells
50011583	15	ChEMBL_217613 (CHEMBL820356)	Inhibition of [125I]VCAM-Ig binding to Alpha4-beta7 integrin of RPMI-8866 cells
50011583	14	ChEMBL_217307 (CHEMBL823928)	Alpha4-beta1 integrin binding affinity was assessed by measuring the reduction in binding of [125I]VCAM-Ig to a suspension of Jurkat cells (a human T cell line alpha-4-beta-1-beta-7)
50011583	12	ChEMBL_217475 (CHEMBL823551)	Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 cells (a human B cell line alpha-4-beta-1-beta-7+)
50011583	11	ChEMBL_217612 (CHEMBL819427)	Inhibition of [125I]VCAM-Ig binding to Alpha4-beta7 integrin of RPMI-8866 cells
50011583	13	ChEMBL_217476 (CHEMBL823552)	Inhibition of [125I]VCAM-Ig binding to Alpha4-beta7 integrin of RPMI-8866 cells
50011734	6	ChEMBL_214678 (CHEMBL818284)	Inhibition of [125I]VCAM-Ig binding to alpha4-beta1 (VLA-4) of human RPMI-8866 cells
50011740	5	ChEMBL_216159 (CHEMBL815330)	Inhibition of MadCAM-Ig binding to alpha-4 beta-7 integrin
50011740	6	ChEMBL_214680 (CHEMBL818286)	Inhibitory activity against very late antigen-4 (VLA-4) using VCAM-Ig ligand.
50011753	3	ChEMBL_143774 (CHEMBL750247)	Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease
50011754	4	ChEMBL_143773 (CHEMBL754264)	Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease
50011840	11	ChEMBL_213543 (CHEMBL816990)	Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a cell based ligand binding assay (Jurkat cells)
50011840	12	ChEMBL_213544 (CHEMBL816991)	Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay
50011840	10	ChEMBL_217311 (CHEMBL824470)	Inhibition of Jurkat cell VLA-4 adhesion to VCAM-1
50007637	3	ChEMBL_63639 (CHEMBL675350)	Compound was tested for its activity against human leukocyte elastase(HLE)
50007637	1	ChEMBL_34105 (CHEMBL649734)	Compound was tested for its activity against bovine pancreatic Alpha-chymotrypsin (BPC)
50007639	1	ChEMBL_31302 (CHEMBL643983)	Inhibitory activity against yeast aldehyde dehydrogenase (AIDH)
50011840	9	ChEMBL_217312 (CHEMBL824471)	Inhibition of very late antigen-4 (VLA-4)/vascular cell adhesion molecule-1(VCAM -1) interaction
50011854	13	ChEMBL_48868 (CHEMBL661324)	Inhibition of Cell division cycle 2 (CDK1)-cyclin B
50011854	15	ChEMBL_51325 (CHEMBL663604)	Inhibition of Cyclin-dependent kinase 5-p35nck5a
50011854	14	ChEMBL_162543 (CHEMBL767447)	Inhibition of protein kinase C
50011854	16	ChEMBL_50835 (CHEMBL657267)	Inhibition of Cyclin-dependent kinase 2-cyclin A
50012026	11	ChEMBL_213397 (CHEMBL818055)	Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin
50012026	14	ChEMBL_217615 (CHEMBL820358)	Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulin
50012026	12	ChEMBL_213398 (CHEMBL818056)	Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasma
50022932	2	ChEMBL_549444 (CHEMBL1019375)	Inhibition of bovine brain PI-PLCgamma1
50022932	3	ChEMBL_549445 (CHEMBL1019376)	Inhibition of rat brain PI-PLCgamma1
50022932	1	ChEMBL_549443 (CHEMBL1019374)	Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL
50007642	1	ChEMBL_99040 (CHEMBL712593)	In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphate.
50012026	15	ChEMBL_217616 (CHEMBL820359)	Inhibition of alpha4-beta7 integrin binding to MAdCAM immunoglobulin
50012026	13	ChEMBL_213549 (CHEMBL816253)	Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin
50012039	12	ChEMBL_52486 (CHEMBL664567)	Inhibition of Cyclin A-cyclin-dependent kinase 2
50012039	16	ChEMBL_52515 (CHEMBL665288)	Inhibition of Cyclin E-cyclin-dependent kinase 2
50012039	14	ChEMBL_52501 (CHEMBL665124)	Inhibition of Cyclin D1-cyclin-dependent kinase 4
50012039	17	ChEMBL_50316 (CHEMBL661621)	Binding affinity to cyclin-dependent kinase 1 (CDK1)
50007652	1	ChEMBL_105077 (CHEMBL711322)	Inhibition of human neutrophil collagenase (Matrix metalloprotease-8)
50012039	11	ChEMBL_217489 (CHEMBL823565)	Inhibition of cAMP-dependent protein kinase
50012039	15	ChEMBL_52666 (CHEMBL666599)	Inhibition of cyclin dependent kinase 1-cyclinB
50012039	13	ChEMBL_52489 (CHEMBL664570)	Inhibition of Cyclin B-cyclin-dependent kinase 1
50012091	3	ChEMBL_213547 (CHEMBL816251)	Inhibition of Very late antigen 4 of Ramos cell adhesion to vascular cell adhesion molecule 1
50012211	3	ChEMBL_217611 (CHEMBL819426)	Inhibition of alpha4-beta7 integrin binding to radiolabeled vascular cell adhesion molecule-1 (VCAM-1) Ig fusion protein in human Jurkat cells
50007658	3	ChEMBL_72509 (CHEMBL685174)	Compound was evaluated for binding affinity using [35S]MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activity
50007658	4	ChEMBL_149203 (CHEMBL759542)	Antagonistic activity against Oxytocin receptor
50007658	2	ChEMBL_72508 (CHEMBL685173)	Inhibitory concentration (biotinylated probe) is evaluated for [35S]- MK-0677 binding
50007658	1	ChEMBL_70198 (CHEMBL684262)	Compound was evaluated for GH release for effect on human GH secretagogue receptor
50012223	6	ChEMBL_32534 (CHEMBL646568)	Inhibition of [125I]MAdCAM-Ig binding to human integrin alpha4-beta7 of RPMI-8866 cells
50012223	5	ChEMBL_215740 (CHEMBL823096)	Inhibition of [125I]VCAM-Ig binding to human integrin alpha4-beta1 (VLA-4) of Jurkat cells
50012296	9	ChEMBL_214378 (CHEMBL821110)	Inhibitory binding concentration determined against VCAM/VLA-4 in ELISA
50012296	12	ChEMBL_214490 (CHEMBL819218)	Inhibitory binding concentration determined against VCAM/VLA-4 in Ramos
50012296	10	ChEMBL_213542 (CHEMBL816989)	Inhibition of Very late antigen 4 (VLA-4) of Ramos cell adhesion to vascular cell adhesion molecule 1 (VCAM-1)
50012296	11	ChEMBL_213408 (CHEMBL878745)	Inhibition of Very late antigen 4/vascular cell adhesion molecule 1 interaction in ELISA
50012324	5	ChEMBL_42813 (CHEMBL659117)	In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein
50012361	12	ChEMBL_69128 (CHEMBL681252)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant(Gln55His) enzyme using malachite green assay
50012361	2	ChEMBL_69132 (CHEMBL681256)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln55His) enzyme using malachite green assay
50012361	10	ChEMBL_69127 (CHEMBL681251)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln55His) enzyme using malachite green assay
50012361	6	ChEMBL_69133 (CHEMBL681257)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat wild type enzyme using malachite green assay
50012361	14	ChEMBL_69131 (CHEMBL681255)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln50Lys) enzyme using malachite green assay
50012361	13	ChEMBL_69129 (CHEMBL681253)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat wild type enzyme using malachite green assay
50012361	9	ChEMBL_69126 (CHEMBL681098)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln50Lys) enzyme using malachite green assay
50012361	11	ChEMBL_69125 (CHEMBL681467)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite green assay
50012384	7	ChEMBL_206296 (CHEMBL810541)	Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 at high affinity state with 2 mM MgATP
50012384	8	ChEMBL_206297 (CHEMBL810542)	Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 at low affinity state with 2 mM MgATP
50012384	9	ChEMBL_206298 (CHEMBL810543)	Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 without ATP
50012384	10	ChEMBL_206299 (CHEMBL810544)	Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 at low affinity state with 2 mM MgATP
50012384	6	ChEMBL_206295 (CHEMBL810540)	Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulfonylurea receptor SUR1 and Inward rectifier K+ channel Kir6.2 without ATP
50012474	2	ChEMBL_39363 (CHEMBL653239)	Inhibition of Beta-cell KATP channel
50012474	3	ChEMBL_39365 (CHEMBL858103)	Negative log EC50 for Beta-cell KATP channel
50012523	12	ChEMBL_79053 (CHEMBL877208)	Inhibition of HCV serine protease NS3/NS4A in the presence of Zn
50012523	9	ChEMBL_143655 (CHEMBL752814)	Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA
50012523	10	ChEMBL_143656 (CHEMBL752815)	Inhibition of HCV serine protease NS3/NS4A in the presence of Zn
50012523	11	ChEMBL_79052 (CHEMBL688663)	Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.
50012577	3	ChEMBL_143646 (CHEMBL752805)	Inhibitory concentration evaluated against NS3/4A protease.
50012605	12	ChEMBL_143650 (CHEMBL752809)	Inhibitory concentration against hepatitis C virus NS3/4A protease on 4 hr pre-incubation in chromogenic assay
50012605	13	ChEMBL_143648 (CHEMBL752807)	Inhibitory concentration against hepatitis C virus NS3/4A protease on 18 h pre-incubation in fluorogenic assay
50012605	15	ChEMBL_143647 (CHEMBL752806)	Inhibitory concentration against hepatitis C virus NS3/4A protease on 18 hr preincubation in chromogenic assay
50012605	11	ChEMBL_143651 (CHEMBL752810)	Inhibitory concentration against hepatitis C virus NS3/4A protease on 4 hr pre-incubation in fluorogenic assay
50012605	14	ChEMBL_143649 (CHEMBL752808)	Inhibitory concentration against hepatitis C virus NS3/4A protease on 2 hr pre-incubation in chromogenic assay
50012800	9	ChEMBL_158776 (CHEMBL772933)	Inhibitory activity against Hepatitis C NS3/NS4A protease
50012800	1	ChEMBL_143497 (CHEMBL754510)	Binding affinity NS3 protease K136M
50012800	7	ChEMBL_143611 (CHEMBL755781)	Binding affinity for NS3 protease K136R
50012800	10	ChEMBL_143626 (CHEMBL751834)	Binding affinity for enzyme K136R
50012800	6	ChEMBL_143625 (CHEMBL751833)	Binding affinity for enzyme K136M
50012800	4	ChEMBL_143627 (CHEMBL751835)	Binding affinity for enzyme NS3 protease wild-type
50012800	8	ChEMBL_143612 (CHEMBL755782)	Binding affinity for wild type NS3 protease
50012921	10	ChEMBL_215741 (CHEMBL823097)	Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand
50012921	12	ChEMBL_213372 (CHEMBL817232)	Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligand
50012921	11	ChEMBL_213371 (CHEMBL817231)	Inhibition of [125I]-VCAM-Ig binding to human integrin alpha4-beta7 receptor in RPMI-8866 cells
50012921	9	ChEMBL_215742 (CHEMBL823098)	Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligand
50007665	2	ChEMBL_155236 (CHEMBL764726)	Binding affinity was evaluated on serine protease plasmin.
50007665	7	ChEMBL_207472 (CHEMBL816753)	Binding affinity was evaluated on serine protease TPA.
50007665	4	ChEMBL_157256 (CHEMBL765456)	Binding affinity was evaluated on serine protease plasma kallikrein.
50007665	6	ChEMBL_208318 (CHEMBL812836)	Binding affinity was evaluated on serine protease thrombin.
50007665	1	ChEMBL_212735 (CHEMBL819276)	Binding affinity was evaluated on serine protease trypsin.
50007665	3	ChEMBL_49754 (CHEMBL662086)	Selectivity was evaluated as the binding affinity between thrombin versus Chymotrypsinogen
50007665	5	ChEMBL_49753 (CHEMBL662085)	Binding affinity was evaluated on serine protease Chymotrypsinogen
50007665	8	ChEMBL_212874 (CHEMBL817824)	Selectivity was evaluated as the binding affinity between thrombin versus trypsin.
50007671	1	ChEMBL_65625 (CHEMBL681508)	Tested for binding affinity for human Endothelin A receptor by measuring its ability to displace [125I]ET1 from chinese hamster ovary cells(CHO)
50007672	2	ChEMBL_201344 (CHEMBL806206)	Affinity was evaluated using [3H]citalopram (radioligand) on human serotonin transporter expressed in HEK cells
50007672	1	ChEMBL_201647 (CHEMBL806548)	IC50 value was evaluated using [3H]citalopram (radioligand) on serotonin transporter in rat striatum.
50007672	5	ChEMBL_62003 (CHEMBL670186)	IC50 value was evaluated using [3H]WIN-35428 (radioligand) on Dopamine transporter in rat striatum.
50013112	20	ChEMBL_221500 (CHEMBL841387)	Inhibition of p56 Lck tyrosine kinase
50013112	41	ChEMBL_195569 (CHEMBL803660)	Inhibition of Ribosomal protein S6 kinase (P70S6K kinase)
50013112	42	ChEMBL_124147 (CHEMBL737109)	Inhibition of Mitogen-activated protein kinase
50013112	45	ChEMBL_162411 (CHEMBL766551)	Inhibition of Protein kinase C
50013112	46	ChEMBL_161621 (CHEMBL769161)	Inhibition of Protein kinase ROCK2
50013112	47	ChEMBL_90276 (CHEMBL699141)	Inhibition of Insulin receptor
50013112	40	ChEMBL_124474 (CHEMBL734078)	Inhibition of Mitogen-activated protein kinase p38
50013112	43	ChEMBL_213950 (CHEMBL811928)	Inhibition of Vascular endothelial growth factor receptor
50013112	48	ChEMBL_198180 (CHEMBL798343)	Inhibition of Serine/threonine-protein kinase Chk1
50013112	44	ChEMBL_161916 (CHEMBL767995)	Inhibition of Protein kinase A (PKA)
50013112	49	ChEMBL_90390 (CHEMBL698193)	Inhibition of IKK alpha kinase
50013112	39	ChEMBL_216672 (CHEMBL818500)	Inhibition of c-Jun N-terminal kinase
50013380	12	ChEMBL_69934 (CHEMBL678814)	logIC50 (30 uM) GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Xenopus oocytes
50013380	13	ChEMBL_69933 (CHEMBL678813)	Effective concentration against human recombinant GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Xenopus oocytes
50013704	7	ChEMBL_51321 (CHEMBL663600)	Ability to inhibit Cyclin-dependent kinase 5-p35.
50013704	9	ChEMBL_209910 (CHEMBL811914)	Inhibition of Tau Protein Kinase II (TPK II)
50013704	8	ChEMBL_50831 (CHEMBL657263)	Ability to inhibit cyclin-dependent kinase 2-cyclin A.
50013851	3	ChEMBL_143629 (CHEMBL752790)	Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.
50007686	4	ChEMBL_54106 (CHEMBL668436)	Inhibitory activity against Dihydrofolate reductase from recombinant human (hDHFR)
50007686	1	ChEMBL_54969 (CHEMBL666698)	Inhibitory activity against Dihydrofolate reductase from rat liver (rlDHFR)
50014064	26	ChEMBL_143409 (CHEMBL750052)	Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4
50014064	23	ChEMBL_143881 (CHEMBL751864)	Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells
50014064	22	ChEMBL_143234 (CHEMBL752377)	Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells
50014064	24	ChEMBL_144019 (CHEMBL750434)	Binding affinity against nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells
50007686	3	ChEMBL_54968 (CHEMBL666697)	Inhibitory activity against Dihydrofolate reductase from rat liver ( rlDHFR)
50014190	17	ChEMBL_217637 (CHEMBL818509)	Inhibitory activity against alphaV-beta3 integrin
50014190	16	ChEMBL_215978 (CHEMBL821007)	Inhibitory activity against alpha IIb beta3 integrin
50014190	14	ChEMBL_88917 (CHEMBL873091)	Inhibition of binding to integrin alphaIIb-beta3
50014190	15	ChEMBL_88912 (CHEMBL699814)	CEMD9 cell adhesion via integrin alpha4-beta1 to VCAM1
50007688	5	ChEMBL_67070 (CHEMBL674702)	Inhibition of p56lck SH2 domain binding to biotinylated phosphopeptide
50007688	3	ChEMBL_66901 (CHEMBL675383)	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50007688	4	ChEMBL_221510 (CHEMBL841493)	Inhibition of p56lck SH2 domain binding to biotinylated phosphopeptide
50007688	8	ChEMBL_72353 (CHEMBL686440)	Inhibition of Grb2 SH2 domain binding to biotinylated phosphopeptide
50014190	18	ChEMBL_218095 (CHEMBL822542)	Cell adhesion via integrin alphaIIb-beta3 expressed in CHO cells to fibrinogen
50014190	13	ChEMBL_88890 (CHEMBL694793)	K562 cell adhesion via integrin alpha5-beta1 to fibrinogen
50014220	3	ChEMBL_92519 (CHEMBL700928)	Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes
50014350	20	ChEMBL_143644 (CHEMBL752803)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.18)
50014350	24	ChEMBL_143637 (CHEMBL752797)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using a reverse phase HPLC based assay
50014350	23	ChEMBL_143643 (CHEMBL752802)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.15)
50014350	21	ChEMBL_143645 (CHEMBL752804)	Binding inhibition of hepatitis C virus NS3.4A protease 2 was determined
50014350	19	ChEMBL_143641 (CHEMBL752800)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.03)
50014350	18	ChEMBL_143640 (CHEMBL752799)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.15)
50014350	25	ChEMBL_143638 (CHEMBL857687)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using a reverse phase HPLC based assay; <0.2 (0.15)
50014350	22	ChEMBL_143642 (CHEMBL752801)	Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA); <0.2 (0.10)
50014493	3	ChEMBL_143636 (CHEMBL752796)	Inhibitory activity against hepatitis C virus NS3.4A protease
50014579	3	ChEMBL_217618 (CHEMBL820361)	Inhibitory activity of compound against alpha4-beta7 integrin using MAdCAM-Ig ligand
50014581	4	ChEMBL_217617 (CHEMBL820360)	Inhibition of Mn2+ activated state of alpha4-beta7 integrin
50014581	6	ChEMBL_213403 (CHEMBL815426)	Inhibition of Mn2+ activated state of very late antigen 4 (VLA-4)
50014581	5	ChEMBL_213402 (CHEMBL815425)	Inhibition of [Ca2+]/Mg2+ unactivated state of very late antigen 4 (VLA-4)
50014791	16	ChEMBL_50679 (CHEMBL663350)	Inhibition of Cyclin-dependent kinase 2-cyclin A
50015101	25	ChEMBL_306204 (CHEMBL830162)	Inhibition of I kappa-B kinase alpha
50015101	24	ChEMBL_306570 (CHEMBL832087)	Inhibition of Vascular endothelial growth factor receptor
50015101	22	ChEMBL_305895 (CHEMBL832910)	Inhibition of p38 MAP-kinase
50015101	23	ChEMBL_305892 (CHEMBL832907)	Inhibition of PKC kinase
50015125	7	ChEMBL_306058 (CHEMBL833014)	Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1 enzyme activity
50015125	8	ChEMBL_306377 (CHEMBL874565)	Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined
50015125	4	ChEMBL_306376 (CHEMBL828718)	Inhibitory concentration against human whole blood Prostaglandin G/H synthase 1
50015125	2	ChEMBL_306195 (CHEMBL830989)	In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity 
50022953	1	ChEMBL_550110 (CHEMBL1004238)	Inhibition of cholecystokinin A receptor
50022953	2	ChEMBL_550111 (CHEMBL1004239)	Inhibition of cholecystokinin B receptor
50007699	3	ChEMBL_212379 (CHEMBL817625)	Compound (isomer) was tested in the absence of light for inhibitory activity against trypsin.
50007699	2	ChEMBL_208324 (CHEMBL812842)	Compound (isomer) was tested in the absence of light for inhibitory activity against thrombin.
50007699	1	ChEMBL_48797 (CHEMBL662823)	Compound (isomer) was tested in the absence of light for inhibitory activity against Human Coagulation factor X
50007700	1	ChEMBL_208533 (CHEMBL813627)	Inhibitory potency was measured against human thrombin
50007700	3	ChEMBL_48821 (CHEMBL661794)	Inhibitory potency was measured against human coagulation factor X
50015482	15	ChEMBL_304628 (CHEMBL828513)	Inhibitory activity against Fgr kinase
50015482	17	ChEMBL_304754 (CHEMBL829352)	Inhibitory activity against Src tyrosine kinase
50015482	16	ChEMBL_305511 (CHEMBL831112)	inhibitory activity against Vascular endothelial growth factor receptor 2
50015500	10	ChEMBL_429655 (CHEMBL920487)	Inhibition of CDK2/Cyclin A
50015847	3	ChEMBL_310478 (CHEMBL834422)	In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells
50015847	4	ChEMBL_310473 (CHEMBL834417)	In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells
50007701	2	ChEMBL_48507 (CHEMBL660656)	Inhibition of cathepsin L
50007701	3	ChEMBL_48326 (CHEMBL663316)	Inhibition of cathepsin K
50007701	1	ChEMBL_47585 (CHEMBL657188)	Inhibition of cathepsin B
50007704	3	ChEMBL_29520 (CHEMBL640284)	Inhibitory activity was tested against ATP-Citrate Lyase (ACL) enzyme in rat
50007704	4	ChEMBL_29521 (CHEMBL640437)	Inhibitory activity was tested against ATP-Citrate Lyase (ACL) enzyme in rat
50007705	2	ChEMBL_46997 (CHEMBL658966)	Binding affinity to Cannabinoid receptor 2 from mouse spleen was measured using [3H]CP-55940 as radioligand
50007705	1	ChEMBL_46647 (CHEMBL658902)	Binding affinity to Cannabinoid receptor 1 from rat forebrain synaptosomal membranes was measured using [3H]CP-55940 as radioligand
50015904	18	ChEMBL_305183 (CHEMBL876146)	Inhibition of vascular endothelial growth factor receptor 2
50015904	20	ChEMBL_305182 (CHEMBL832771)	Inhibition of platelet-derived growth factor receptor alpha
50015904	16	ChEMBL_305819 (CHEMBL829472)	Inhibition of platelet-derived growth factor receptor alpha in cell-intact assay
50015904	19	ChEMBL_305820 (CHEMBL829563)	Inhibition of vascular endothelial growth factor receptor 2 in cell-intact assay
50007711	1	ChEMBL_48822 (CHEMBL661795)	In vitro inhibition was measured against Human Coagulation factor X
50007711	2	ChEMBL_212530 (CHEMBL815750)	In vitro inhibition was measured against Human bovine pancreatic trypsin.
50007711	4	ChEMBL_208534 (CHEMBL813628)	In vitro inhibition was measured against Human Thrombin.
50007711	3	ChEMBL_212529 (CHEMBL815583)	In vitro inhibition was measured against Bovine pancreatic trypsin.
50015904	17	ChEMBL_305757 (CHEMBL829528)	Inhibition of vascular endothelial growth factor receptor 2 in cell-free assay
50015904	13	ChEMBL_305416 (CHEMBL830909)	Inhibition of epidermal growth factor receptor in cell-intact assay
50015966	20	ChEMBL_303477 (CHEMBL838851)	Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha3-beta4
50015966	22	ChEMBL_303420 (CHEMBL840083)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2
50015966	19	ChEMBL_303478 (CHEMBL838852)	Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2
50015966	21	ChEMBL_302244 (CHEMBL830260)	Dissociation constant against Nicotinic acetylcholine receptor alpha4-beta2
50015966	23	ChEMBL_303167 (CHEMBL876380)	Binding affinity against nicotinic acetylcholine receptor subtype alpha2-beta2
50015966	24	ChEMBL_302243 (CHEMBL830259)	Dissociation constant against Nicotinic acetylcholine receptor alpha3-beta4
50015966	18	ChEMBL_302242 (CHEMBL830258)	Dissociation constant against Nicotinic acetylcholine receptor alpha3-beta2
50016000	24	ChEMBL_306801 (CHEMBL831708)	Inhibition of [125I]eotaxin binding to human C-C chemokine receptor type 3 expressed in CHO cells
50016000	3	ChEMBL_306872 (CHEMBL828678)	Inhibition of eotaxin-induced chemotaxis of human eosinophils
50016000	20	ChEMBL_306770 (CHEMBL831867)	Inhibition of calcium mobilization in human eosinophils
50016000	25	ChEMBL_306855 (CHEMBL828449)	Inhibition of eotaxin-induced chemotaxis of mouse eosinophils
50016000	10	ChEMBL_306237 (CHEMBL830334)	Inhibition of [125I]eotaxin binding to human eosinophils
50016000	17	ChEMBL_306081 (CHEMBL833582)	Inhibition of [125I]eotaxin binding to human eosinophils
50016000	26	ChEMBL_306427 (CHEMBL828098)	Inhibition of C-X-C chemokine receptor type 2
50016000	27	ChEMBL_306426 (CHEMBL828097)	Inhibition of C-X-C chemokine receptor type 1
50016517	25	ChEMBL_304706 (CHEMBL828005)	Inhibition of Casein kinase I
50016517	24	ChEMBL_304681 (CHEMBL827035)	Inhibition of CDK7/cyclin H
50016517	23	ChEMBL_305359 (CHEMBL832739)	Inhibition of Platelet derived growth factor receptor
50016517	21	ChEMBL_304679 (CHEMBL827033)	Inhibition of CDK1/cyclin B
50016517	22	ChEMBL_304680 (CHEMBL827034)	Inhibitory concentration of compound against CDK2/cyclin A
50016517	27	ChEMBL_304700 (CHEMBL828000)	Inhibition of CDK6/cyclin D3
50016517	26	ChEMBL_304607 (CHEMBL828494)	Inhibition of CDK5/p35
50016517	28	ChEMBL_304699 (CHEMBL827999)	Inhibition of CDK4/cyclin D1
50016689	5	ChEMBL_312682 (CHEMBL833129)	Agonistic activity against delta opioid receptor of mouse vas deferens assay
50007720	4	ChEMBL_196479 (CHEMBL798293)	Transcriptional activation in CV-1 cells expressing RAR-alpha receptor
50007720	3	ChEMBL_195993 (CHEMBL800482)	Transcriptional activation in CV-1 cells expressing RAR-gamma receptor
50007720	2	ChEMBL_197392 (CHEMBL799711)	Transcriptional activation in CV-1 cells expressing RAR-alpha receptor
50007720	1	ChEMBL_195481 (CHEMBL798903)	Transcriptional activation in CV-1 cells expressing RAR-beta receptor
50016921	10	ChEMBL_328341 (CHEMBL864556)	Inhibitory activity against CDK2/Cyclin A
50016949	14	ChEMBL_327452 (CHEMBL859878)	Inhibitory activity against IKK2
50016949	19	ChEMBL_327455 (CHEMBL862759)	Inhibition of TNF-alpha-stimulated IkappaBalpha degradation
50016949	18	ChEMBL_327456 (CHEMBL862760)	Inhibition of TNF-alpha-stimulated expression of E-selectin in HUVEC cells
50016949	21	ChEMBL_327457 (CHEMBL862761)	Inhibition of TNF-alpha-stimulated expression of ICAM1 in HUVEC cells
50016949	17	ChEMBL_327453 (CHEMBL859877)	Inhibitory activity against IKK1
50016949	16	ChEMBL_327454 (CHEMBL861784)	Inhibitory activity against IKK complex isolated from HeLa cells
50016949	20	ChEMBL_327458 (CHEMBL862762)	Inhibition of TNF-alpha-stimulated expression of VCAM1 in HUVEC cells
50016949	15	ChEMBL_327463 (CHEMBL871358)	Inhibition of LPS-induced TNFalpha release from human PBMC
50007724	2	ChEMBL_157879 (CHEMBL765047)	Inhibitory activity against purified HIV-1 protease expressed in Escherichia coli in sensitive fluorometric assay
50017243	2	ChEMBL_335897 (CHEMBL859282)	Inhibition of bovine alpha-L-fucosidase
50017259	2	ChEMBL_341054 (CHEMBL866584)	Inhibition of CDK2/CyclinA
50007726	2	ChEMBL_124227 (CHEMBL874043)	Inhibitory activity against Monoamine oxidase B from rat brain mitochondria
50007726	1	ChEMBL_123278 (CHEMBL731799)	Inhibitory activity against Monoamine oxidase A from rat brain mitochondria
50017396	13	ChEMBL_331450 (CHEMBL867053)	Inhibitory activity against IRK
50017396	11	ChEMBL_331458 (CHEMBL867071)	Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line
50017396	10	ChEMBL_331457 (CHEMBL865898)	Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 cell line
50017396	14	ChEMBL_331449 (CHEMBL867052)	Inhibitory activity against ALK
50017396	12	ChEMBL_331455 (CHEMBL865229)	Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK
50007733	3	ChEMBL_96428 (CHEMBL706376)	inhibitory activity against Plasmodium falciparum LDH (pLDH)
50017433	8	ChEMBL_347991 (CHEMBL869608)	Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin
50017433	7	ChEMBL_347983 (CHEMBL869602)	Inhibition of Plasmodium falciparum TrxR
50017433	6	ChEMBL_347984 (CHEMBL869603)	Inhibition of human TrxR
50007735	1	ChEMBL_66886 (CHEMBL675510)	Inhibition of Epidermal growth factor receptor mediated mitogenesis of NIH3T3 cells
50017433	5	ChEMBL_347992 (CHEMBL869609)	Binding affinity to Plasmodium falciparum TrxR in presence of NADPH
50007736	1	ChEMBL_43867 (CHEMBL658527)	inhibitory activity measured against recombinant human Calpain-I receptor
50007737	7	ChEMBL_49929 (CHEMBL660312)	The compound was tested for inhibition of Chymotrypsinogen with a pre-incubation time of 15 min
50007737	4	ChEMBL_45526 (CHEMBL660229)	The compound was tested for inhibition of cathepsin G with a pre-incubation time of 15 min
50007737	8	ChEMBL_209083 (CHEMBL813424)	The compound was tested for inhibition of thrombin with a pre-incubation time of 15 min
50007737	9	ChEMBL_209084 (CHEMBL813425)	The compound was tested for inhibition of thrombin with a pre-incubation time of 15 min.
50007737	5	ChEMBL_209082 (CHEMBL877964)	The compound was tested for inhibition of thrombin with a pre-incubation time of 15 min.
50007737	10	ChEMBL_63818 (CHEMBL676207)	The compound was tested for inhibition of human neutrophil elastase enzyme with a pre-incubation time of 15 min.
50007737	1	ChEMBL_49930 (CHEMBL660313)	The compound was tested for inhibition of Chymotrypsinogen with a pre-incubation time of 15 min.
50007737	3	ChEMBL_45527 (CHEMBL660230)	The compound was tested for inhibition of cathepsin G with a pre-incubation time of 15 min.
50007737	6	ChEMBL_209081 (CHEMBL813423)	The compound was tested for inhibition of thrombin with a preincubation time of 15 min
50007737	2	ChEMBL_49931 (CHEMBL660314)	The compound was tested for inhibition of Chymotrypsinogen with a pre-incubation time of 15 min
50017671	12	ChEMBL_343249 (CHEMBL861008)	Inhibition of PKA
50017671	11	ChEMBL_343256 (CHEMBL861015)	Inhibition of NPM-ALK
50017680	5	ChEMBL_341423 (CHEMBL861816)	Displacement of [3H]Flumazenil from human GABA-Aalpha3 receptor plus beta-2-gamma-2 expressed in HEK293 cells
50017680	4	ChEMBL_341422 (CHEMBL861815)	Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells
50017896	4	ChEMBL_378542 (CHEMBL871042)	Inhibition of Cdk2/Cyclin A
50017896	3	ChEMBL_378541 (CHEMBL871040)	Inhibition of Cdk4/Cyclin D1
50018051	5	ChEMBL_373849 (CHEMBL864945)	Displacement of [3H]glibenclamide from human Kir6.2/SUR1 expressed in HEK293 cells
50018051	4	ChEMBL_373850 (CHEMBL864943)	Displacement of [3H]glibenclamide from human Kir6.2/SUR1 expressed in HEK293 cells in presence of 2 mM ATP
50018051	6	ChEMBL_373845 (CHEMBL866794)	Repolarization of HEK293 cells expressing Kir6.2/SUR1 KATP channels
50007744	4	ChEMBL_29471 (CHEMBL642200)	Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane
50007745	3	ChEMBL_31996 (CHEMBL646593)	Tested for antagonist activity by displacement of specific [125I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.
50007745	2	ChEMBL_29466 (CHEMBL642195)	Displacement of [3H]DPCPX from Adenosine A1 receptor of rat cortical membrane
50007745	1	ChEMBL_31995 (CHEMBL646592)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells at 10e-5 M
50018354	4	ChEMBL_400208 (CHEMBL911510)	Inhibition of NPM/ALK L256T mutant autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay
50018354	8	ChEMBL_400210 (CHEMBL913212)	Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay
50018354	6	ChEMBL_400213 (CHEMBL913216)	Inhibition of Bcr-Abl fusion protein
50018354	7	ChEMBL_400209 (CHEMBL913213)	Inhibition of wild type NPM/ALK kinase activity in BaF3 cells by radioenzymatic assay
50018354	3	ChEMBL_400207 (CHEMBL911505)	Inhibition of wild type NPM/ALK autophosphorylation activity in BaF3 cells by antiphosphotyrosine immunoblotting assay
50018798	3	ChEMBL_441017 (CHEMBL890104)	Binding affinity to human VLA4 alpha4beta1 in Jurkat cells
50018806	2	ChEMBL_432876 (CHEMBL915001)	Inhibition of CDK2/Cyclin A
50018907	21	ChEMBL_420188 (CHEMBL912731)	Inhibition of human CDK4 (with cyclin D1)
50020105	3	ChEMBL_434567 (CHEMBL914214)	Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarization
50020105	1	ChEMBL_434568 (CHEMBL914215)	Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as activation of K+ currents
50020614	2	ChEMBL_439639 (CHEMBL888754)	Activity at human GABAA alpha-1-beta-2-gamma-2L expressed in Xenopus oocytes assessed as potentiation of GABA currents
50020876	2	ChEMBL_444950 (CHEMBL894099)	Agonist activity at GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells by Whole-cell patch-clamp technique
50021939	12	ChEMBL_460135 (CHEMBL924982)	Binding affinity to kappa opioid receptor
50021939	13	ChEMBL_460102 (CHEMBL924988)	Binding affinity to GABA alpha-1-beta-1-gamma-2 receptor
50021939	11	ChEMBL_460136 (CHEMBL924983)	Binding affinity to PBR in human mitochondrial tissue
50031360	25	ChEMBL_619949 (CHEMBL1113991)	Inhibition of Aurora B
50031360	26	ChEMBL_619947 (CHEMBL1113989)	Inhibition of CK1gamma1
50031360	24	ChEMBL_619951 (CHEMBL1113993)	Inhibition of CDK1/cyclinB
50031360	23	ChEMBL_619950 (CHEMBL1113992)	Inhibition of CDK2/cyclinA
50031360	27	ChEMBL_619961 (CHEMBL1114003)	Inhibition of PKCeta
50031360	28	ChEMBL_619966 (CHEMBL1114008)	Inhibition of CHK1
50031393	3	ChEMBL_615343 (CHEMBL1103280)	Inhibition of human recombinant CDK2/cyclin A expressed in baculovirus-infected insect Sf21 cells after 10 mins
50031683	6	ChEMBL_631113 (CHEMBL1103822)	Inhibition of CDK2/cyclin E
50031683	7	ChEMBL_631114 (CHEMBL1103823)	Inhibition of CDK1/cyclin B after 40 mins by liquid scintillation counting
50007749	1	ChEMBL_70306 (CHEMBL677853)	Inhibition of Fibrinogen binding to Immobilized Human Fibrinogen Receptor.
50031691	10	ChEMBL_631601 (CHEMBL1106595)	Inhibition of CDK1/cyclin B
50031691	12	ChEMBL_631603 (CHEMBL1106597)	Inhibition of CDK5/P25
50031691	11	ChEMBL_631600 (CHEMBL1106594)	Inhibition of GSK3alpha/beta
50031731	43	ChEMBL_631393 (CHEMBL1109145)	Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	42	ChEMBL_631412 (CHEMBL1111117)	Inhibition of CDK4/Cyclin D1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	44	ChEMBL_631413 (CHEMBL1111118)	Inhibition of CHK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	41	ChEMBL_631400 (CHEMBL1109152)	Inhibition of CDK1/Cyclin B assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	45	ChEMBL_631408 (CHEMBL1109160)	Inhibition of ALK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	46	ChEMBL_631403 (CHEMBL1109155)	Inhibition of VEGFR3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	39	ChEMBL_631402 (CHEMBL1109154)	Inhibition of CDK2/Cyclin E assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	47	ChEMBL_631409 (CHEMBL1109161)	Inhibition of Aurora B assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	40	ChEMBL_631401 (CHEMBL1109153)	Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	48	ChEMBL_631420 (CHEMBL1111957)	Inhibition of insulin receptor assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031804	27	ChEMBL_634480 (CHEMBL1119888)	Inhibition of CDK9/Cyclin T
50031804	28	ChEMBL_634454 (CHEMBL1119480)	Inhibition of CDK1
50031804	25	ChEMBL_634477 (CHEMBL1119885)	Inhibition of CDK2/Cyclin E
50031804	26	ChEMBL_634479 (CHEMBL1119887)	Inhibition of CDK7/Cyclin H
50031804	24	ChEMBL_634476 (CHEMBL1119884)	Inhibition of CDK1/Cyclin B
50031804	29	ChEMBL_634452 (CHEMBL1119478)	Inhibition of human recombinant Aurora B after 60 mins
50031834	30	ChEMBL_635427 (CHEMBL1120227)	Inhibition of LCK
50031834	28	ChEMBL_635442 (CHEMBL1120242)	Inhibition of INSR
50031834	26	ChEMBL_635546 (CHEMBL1118263)	Inhibition of CDK2/cyclinA
50031834	29	ChEMBL_635437 (CHEMBL1120237)	Inhibition of Alk
50031972	11	ChEMBL_641584 (CHEMBL1176286)	Antagonist activity at alpha3beta4 nicotinic receptor in human SH-SY5Y cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting
50031972	13	ChEMBL_641576 (CHEMBL1176113)	Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells after 90 mins by scintillation counting
50031972	12	ChEMBL_641587 (CHEMBL1176289)	Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting
50031972	16	ChEMBL_641588 (CHEMBL1176290)	Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting
50031972	14	ChEMBL_641586 (CHEMBL1176288)	Antagonist activity at alpha4beta2 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at by liquid scintillation counting
50031972	15	ChEMBL_641578 (CHEMBL1176115)	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation counting
50031972	17	ChEMBL_641577 (CHEMBL1176114)	Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting
50032245	4	ChEMBL_658925 (CHEMBL1246064)	Inhibition of CDK1
50032245	3	ChEMBL_658926 (CHEMBL1246065)	Inhibition of human GST-CDK1/cyclin B1 expressed in baculovirus using [gamma-33P]ATP after 45 mins by liquid scintillation counting
50007755	1	ChEMBL_31797 (CHEMBL643203)	In vitro inhibitory activity against aldose reductase in porcine lens.
50007756	6	ChEMBL_217294 (CHEMBL823916)	Binding affinity against alpha-3-beta-3-gamma-2 GABAA/BzR receptor subtype.
50007756	2	ChEMBL_217133 (CHEMBL822165)	Binding affinity against alpha-1-beta-3-gamma-2 GABAA/BzR receptor subtype.
50007756	5	ChEMBL_68435 (CHEMBL683047)	Binding affinity against Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2
50007756	1	ChEMBL_70702 (CHEMBL685338)	Binding affinity for Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2
50007756	4	ChEMBL_217280 (CHEMBL824296)	Binding affinity tested against alpha-2-beta-3-gamma-2 GABAA/BzR receptor subtype.
50007756	3	ChEMBL_217923 (CHEMBL823653)	Binding affinity for alpha-2-beta-3-gamma-2 GABA-A benzodiazepine receptor subunits
50007757	8	ChEMBL_149315 (CHEMBL757310)	Binding affinity against Opioid receptor mu 1 using [3H]naloxone as radioligand.
50007757	1	ChEMBL_145956 (CHEMBL752205)	Binding affinity against Opioid receptor kappa 1 using [3H]ethylketocyclazocine as radioligand.
50032449	96	ChEMBL_674074 (CHEMBL1274171)	Inhibition of Cdc7
50032449	90	ChEMBL_674076 (CHEMBL1274173)	Inhibition of P38beta
50032449	88	ChEMBL_674077 (CHEMBL1274174)	Inhibition of PAK4
50032449	93	ChEMBL_674079 (CHEMBL1274176)	Inhibition of PDK1
50032503	21	ChEMBL_676330 (CHEMBL1273631)	Inhibition of human CDK2/cyclin A after 2 hrs by IMAP-FP assay
50032503	19	ChEMBL_676328 (CHEMBL1273629)	Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells after 60 mins by TR-FRET assay
50032503	3	ChEMBL_676334 (CHEMBL1273635)	Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA
50032503	20	ChEMBL_676331 (CHEMBL1273632)	Inhibition of human CDK6/cyclin D3 after 2 hrs by TR-FRET assay
50032503	23	ChEMBL_676341 (CHEMBL1273642)	Inhibition of ALK
50007761	1	ChEMBL_86901 (CHEMBL698411)	In vitro antagonist potency at Histamine H3 receptor measured as K+-evoked [3H]histamine release from synaptosomes of rat cerebral cortex.
50032503	24	ChEMBL_676335 (CHEMBL1273636)	Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA relative to total pRb level
50007768	1	ChEMBL_46809 (CHEMBL659695)	Displacement of [3H]CP-55940 binding to Cannabinoid receptor 1 in rat brain membranes
50032574	34	ChEMBL_686603 (CHEMBL1292398)	Inhibition of CDK2/Cyclin A
50032574	35	ChEMBL_686604 (CHEMBL1292399)	Inhibition of CDK4/Cyclin D1
50032574	37	ChEMBL_686541 (CHEMBL1292328)	Inhibition of Aurora B
50032574	38	ChEMBL_686610 (CHEMBL1292405)	Inhibition of DAPK1
50032574	36	ChEMBL_686605 (CHEMBL1292400)	Inhibition of CDK5/p25
50032574	33	ChEMBL_686602 (CHEMBL1292397)	Inhibition of CDK1/Cyclin B
50032574	39	ChEMBL_686608 (CHEMBL1292403)	Inhibition of CHK1
50037241	20	ChEMBL_69954 (CHEMBL838371)	Ability to enhance currents from alpha-1-beta-2-gamma-2L-subunit of GABA receptor elicited by low concentrations of GABA
50037241	18	ChEMBL_69477 (CHEMBL685376)	Direct activation of Gamma-aminobutyric acid A receptor in the absence of GABA
50037241	21	ChEMBL_144957 (CHEMBL755075)	Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)
50037241	19	ChEMBL_69955 (CHEMBL838372)	Enhancement of currents elicited by GABA at EC5 (6-12 uM)
50037241	22	ChEMBL_144958 (CHEMBL755076)	Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes)
50037241	23	ChEMBL_69957 (CHEMBL678630)	Inhibition of currents elicited by GABA at EC5 (6-12 uM)
50037342	3	ChEMBL_303666 (CHEMBL830427)	Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease
50037364	13	ChEMBL_306566 (CHEMBL829141)	Concentration required for inhibition of alpha-1 adrenergic receptor using [3H]prazosin as the radioligand
50037364	14	ChEMBL_305577 (CHEMBL828025)	Concentration required for inhibition of beta adrenergic receptor
50037364	17	ChEMBL_304409 (CHEMBL831814)	Effective concentration required towards 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as the radioligand
50037364	15	ChEMBL_303693 (CHEMBL829738)	Binding affinity towards 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as the radioligand in male rat cortical tissue 
50037364	12	ChEMBL_306637 (CHEMBL829939)	Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligand
50037364	16	ChEMBL_305672 (CHEMBL827941)	Concentration required for inhibition of alpha-2 adrenergic receptor
50037364	18	ChEMBL_303510 (CHEMBL838624)	Binding affinity for 5-hydroxytryptamine 4 receptor in rat was determined by rat tunica muscularis mucosae assay
50039202	9	ChEMBL_640756 (CHEMBL1175697)	Inhibition of human CDK2/Cyclin A
50039202	7	ChEMBL_640755 (CHEMBL1175696)	Inhibition of human CDK1/cyclin B
50007772	12	ChEMBL_157260 (CHEMBL765460)	Inhibitory activity against plasma kallikrein
50007772	7	ChEMBL_48811 (CHEMBL662834)	Inhibitory activity against Coagulation factor X
50007772	10	ChEMBL_210825 (CHEMBL811854)	Inhibitory concentration against Tryptase.
50007772	9	ChEMBL_210826 (CHEMBL811855)	Inhibitory concentration against Tryptase.
50007772	11	ChEMBL_210593 (CHEMBL816560)	Inhibitory activity against Thrombin.
50007772	1	ChEMBL_213157 (CHEMBL815984)	Inhibitory activity against microPa.
50007772	5	ChEMBL_212181 (CHEMBL817745)	Inhibitory activity against Trypsin.
50007772	2	ChEMBL_48482 (CHEMBL662060)	Inhibitory activity against Coagulation factor X
50007772	6	ChEMBL_155246 (CHEMBL764735)	Inhibitory activity against Plasmin.
50007772	13	ChEMBL_27848 (CHEMBL642273)	Inhibitory activity against the anticoagulant Activated protein C
50039202	6	ChEMBL_640753 (CHEMBL1175694)	Inhibition of human CDK7/Cyclin H/MAT1
50039202	8	ChEMBL_640754 (CHEMBL1175695)	Inhibition of human CDK6/Cyclin D1
50039284	9	ChEMBL_660571 (CHEMBL1250279)	Inhibition of CDK2/cyclin A
50039284	10	ChEMBL_660572 (CHEMBL1250280)	Inhibition of CDK1
50039284	11	ChEMBL_660573 (CHEMBL1250281)	Inhibition of CDK2
50039284	12	ChEMBL_660568 (CHEMBL1250276)	Inhibition of CDK4
50039284	13	ChEMBL_660567 (CHEMBL1250275)	Inhibition of CDK1/cyclin B
50039865	19	ChEMBL_822688 (CHEMBL2040005)	Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expressed in HEK293 cells after 3 hrs
50039865	4	ChEMBL_822704 (CHEMBL2040021)	Antagonist activity at human CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP response after 5 mins in the absence of human serum
50039865	21	ChEMBL_822705 (CHEMBL2040022)	Antagonist activity at human CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP response after 5 mins in the presence of 50% human serum
50039865	18	ChEMBL_822728 (CHEMBL2040045)	Displacement of [125I]adrenomedullin from human AM2 receptor expressed in HEK293 cells
50039865	20	ChEMBL_822729 (CHEMBL2040046)	Displacement of [125I]calcitonin from human CT receptor expressed in HEK293 cells
50005019	16	ChEMBL_96426 (CHEMBL706374)	Inhibition of Glycosidases (lactase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	17	ChEMBL_32499 (CHEMBL641376)	Inhibition of soluble Alpha-mannosidase II in rat liver
50005019	18	ChEMBL_32497 (CHEMBL641374)	Competitive Inhibitory activity against Golgi Alpha-mannosidase II
50005019	19	ChEMBL_88829 (CHEMBL698884)	Inhibition of Glycosidases (isomaltase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method
50005019	20	ChEMBL_32498 (CHEMBL641375)	Inhibition of lysosomal Alpha-mannosidase II in rat liver
50008079	8	ChEBML_1576	In vivo binding affinity was evaluated against 5-hydroxytryptamine 1A receptor
50008081	4	ChEMBL_196516 (CHEMBL798330)	Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)
50008081	8	ChEMBL_196517 (CHEMBL798331)	Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)
50008081	11	ChEMBL_195077 (CHEMBL797531)	Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.
50008081	1	ChEMBL_80139 (CHEMBL692750)	Compound was tested for its inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as template and dGTP as substrate.
50008081	5	ChEMBL_80270 (CHEMBL686917)	Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118)
50008081	6	ChEMBL_80271 (CHEMBL691191)	Compound was tested for its inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90)
50008081	3	ChEMBL_196515 (CHEMBL798329)	Antiviral activity was determined against HIV- 1 reverse transcriptase
50008091	4	ChEBML_218855	Compound was evaluated for agonistic activity against mGluR1 alpha metabotropic receptor subtype in rat cortical slice model
50008092	5	ChEMBL_218857 (CHEMBL822314)	Inhibitory activity against mGluR1 receptor
50008523	7	ChEMBL_45535 (CHEMBL661055)	Compound was evaluated for inhibition constant for the non-time dependent inhibition of Cathepsin H.
50008523	1	ChEMBL_45538 (CHEMBL661058)	Inhibition constant for the non time dependent inhibition of cathepsin H
50008523	5	ChEMBL_45536 (CHEMBL661056)	Inhibition constant for the non time dependent inhibition of Cathepsin H
50008523	2	ChEMBL_216701 (CHEMBL820313)	Inhibition constant for the non time dependent inhibition of cathepsin H
50030297	10	ChEMBL_572394 (CHEMBL1035295)	Agonist activity at human PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation assay
50007779	1	ChEMBL_177783 (CHEMBL785241)	In vitro inhibition of K+ induced contractions of the isolated rat aorta.
50007781	1	ChEMBL_158515 (CHEMBL768942)	Affinity for SH2 domain of src in Sf9 insect cells
50030297	17	ChEMBL_572393 (CHEMBL1035294)	Agonist activity at human PPARgamma receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation assay
50008565	10	ChEMBL_160428 (CHEMBL763598)	Inhibition of Protein kinase C alpha
50007781	2	ChEMBL_158513 (CHEMBL768940)	Binding affinity against abl SH2 domain of Platelet-derived growth factor receptor beta in Sf9 insect cells
50008565	11	ChEMBL_67049 (CHEMBL677887)	Inhibition of Epidermal growth factor receptor
50008565	9	ChEMBL_226184 (CHEMBL846550)	Inhibition of v-Abl tyrosine kinase
50008565	8	ChEMBL_158492 (CHEMBL764771)	Inhibition of Platelet-derived growth factor receptor-dependent phosphorylation
50008565	3	ChEMBL_67051 (CHEMBL677889)	Inhibition of Epidermal growth factor receptor-dependent phosphorylation
50008565	12	ChEMBL_103915 (CHEMBL711650)	Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation
50007783	3	ChEMBL_44197 (CHEMBL654290)	Inhibitory activity (IC50) against human glucocorticoid receptor expressed in CV-1 cells
50007783	12	ChEMBL_44199 (CHEMBL654292)	Inhibitory activity (IC50) against human mineralocorticoid receptor expressed in CV-1 cells
50008566	16	ChEMBL_106382 (CHEMBL717237)	Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.
50008566	17	ChEMBL_219029 (CHEMBL818797)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR5a
50008566	18	ChEMBL_106048 (CHEMBL717370)	Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate receptor 2 subtypes expressed in RGT cells.
50007783	1	ChEMBL_44195 (CHEMBL654136)	Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cells
50008566	19	ChEMBL_218859 (CHEMBL822316)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR1a
50007783	5	ChEMBL_44200 (CHEMBL654293)	Inhibitory activity (IC50) against human mineralocorticoid receptor expressed in CV-1 cells
50008566	5	ChEMBL_105899 (CHEMBL717760)	Inhibition of forskolin stimulated cAMP production in RGT cells expressingrecombinant human Metabotropic glutamate receptor 2
50008566	20	ChEMBL_106372 (CHEMBL718738)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human Metabotropic glutamate receptor 3
50008634	9	ChEMBL_158730 (CHEMBL768738)	IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma
50008634	6	ChEMBL_158733 (CHEMBL768740)	IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma
50008634	4	ChEMBL_158732 (CHEMBL768739)	IC50 value was determined against Prostaglandin G/H synthase 1 of human platelet rich plasma; Not active
50008634	8	ChEMBL_43997 (CHEMBL877677)	IC50 value against recombinant human Prostaglandin G/H synthase 2 at 10 uM; not active
50008635	5	ChEMBL_159276 (CHEMBL764260)	IC50 value against ovine Prostaglandin G/H synthase 1
50008635	4	ChEMBL_158731 (CHEMBL878778)	IC50 value against Prostaglandin G/H synthase 1 of human platelet rich plasma
50008638	6	ChEMBL_161098 (CHEMBL771559)	Increased percentage of formazan production in drug treated virus infected cells to equal 50% of control drug free uninfected cells on serotype 14
50008638	1	ChEMBL_161097 (CHEMBL771558)	The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated,virus infected cells to 50% of that produced by drug free uninfected cells on serotype 10.
50008638	5	ChEMBL_161100 (CHEMBL878696)	The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50% of that produced by drug free uninfected cells on serotype 1A.
50008638	7	ChEMBL_161101 (CHEMBL771561)	The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50% of that produced by drug free uninfected cells on serotype 2.
50008638	3	ChEMBL_161259 (CHEMBL767721)	The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50% of that produced by drug free uninfected cells on serotype 1A.
50008639	3	ChEMBL_161099 (CHEMBL771560)	Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14
50008639	2	ChEMBL_161229 (CHEMBL764324)	The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated, virus infected cells to 50% of that produced by drug free uninfected cells on serotype 2.
50008644	6	ChEMBL_156458 (CHEMBL764836)	Inhibitory activity against phosphodiesterase 3 (PDE 3) isolated from cardiac ventricle
50008644	9	ChEMBL_155193 (CHEMBL763666)	Inhibitory activity against phosphodiesterase 5 (PDE V), isolated from cardiac ventricle
50008644	7	ChEMBL_156018 (CHEMBL764110)	Inhibitory activity against phosphodiesterase 1 (PDE I), isolated from cardiac ventricle
50008644	8	ChEMBL_156780 (CHEMBL756944)	Inhibition of canine lung Phosphodiesterase 4
50007794	2	ChEMBL_208516 (CHEMBL817242)	Inhibitory activity against thrombin (IIa) was determined
50007794	1	ChEMBL_212868 (CHEMBL817818)	Inhibitory activity against trypsin was determined
50008693	4	ChEMBL_105219 (CHEMBL715559)	Inhibitory activity against Matrix metalloprotease-9
50008693	5	ChEMBL_106114 (CHEMBL713707)	Inhibitory activity against Matrix metalloprotease-1
50008699	1	ChEMBL_90574 (CHEMBL702431)	Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing
50008699	3	ChEMBL_90575 (CHEMBL701159)	Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration
50007799	6	ChEMBL_53457 (CHEMBL661507)	Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii
50007799	3	ChEMBL_52974 (CHEMBL664182)	Inhibitory activity against dihydrofolate reductase (DHFR) from Pneumocystis carinii
50007799	1	ChEMBL_55108 (CHEMBL665435)	Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver
50007799	2	ChEMBL_55109 (CHEMBL665436)	Inhibitory activity against dihydrofolate reductase(DHFR) from rat liver
50007800	2	ChEMBL_92807 (CHEMBL703985)	Blockade of peak K+ currents against Kv1.2 gene
50007800	7	ChEMBL_92809 (CHEMBL702905)	Blockade of peak K+ currents against Kv1.5 gene
50007800	6	ChEMBL_91591 (CHEMBL703395)	Blockade of peak Kv1.3 potassium currents
50007800	1	ChEMBL_92805 (CHEMBL703983)	Blockade of peak K+ currents against Kv1.1 gene
50007800	5	ChEMBL_91719 (CHEMBL702018)	Blockade of peak Kv1.3 potassium currents
50007800	3	ChEMBL_92814 (CHEMBL702910)	Blockade of peak K+ currents against Kv3.1 gene
50007800	4	ChEMBL_92811 (CHEMBL702907)	Blockade of peak K+ currents against Kv1.6 gene
50007804	4	ChEMBL_34119 (CHEMBL649747)	Compound was tested for its specificity against alpha-chymotrypsin
50007804	1	ChEMBL_41517 (CHEMBL656498)	Compound was tested for its specificity against beta-trypsin
50008715	7	ChEMBL_939 (CHEMBL616118)	In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 2)
50008715	8	ChEMBL_3533 (CHEMBL619200)	Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding (Experiment 1)
50008715	1	ChEMBL_3534 (CHEMBL619201)	Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding (Experiment 2)
50008715	9	ChEMBL_940 (CHEMBL616119)	In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor by Panlabs assay
50008715	6	ChEMBL_938 (CHEMBL616117)	In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 1)
50008964	8	ChEMBL_106782 (CHEMBL718389)	Binding affinity against matrix metalloprotease-14 MTI-MMP.
50008964	9	ChEMBL_105378 (CHEMBL712457)	Binding affinity against matrix metalloprotease-9 (gelatinase-B).
50007809	1	ChEMBL_205714 (CHEMBL807961)	Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells.
50008964	10	ChEMBL_105814 (CHEMBL717814)	Inhibition of matrix metalloprotease-8
50008989	4	ChEMBL_201441 (CHEMBL882259)	Binding affinity against Sigma opioid receptor type 1 in guinea pig brain membranes using [3H](+)-pentazocine as radioligand
50008989	5	ChEMBL_201585 (CHEMBL809862)	Binding affinity against Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG (DuPont-NEN) as radioligand in the presence of (+)-pentazocine (100 nM)
50008989	6	ChEMBL_213559 (CHEMBL817829)	Displacement of [3H]vesamicol from Vesicular Acetylcholine Transporter (VAChT)
50008999	6	ChEMBL_92369 (CHEMBL701583)	Compound was evaluated for its binding affinity against kallikrein
50008999	7	ChEMBL_155395 (CHEMBL765936)	Compound was evaluated for its binding affinity against plasmin
50008999	8	ChEMBL_155388 (CHEMBL760747)	Compound was evaluated for its binding affinity against plasmin
50009005	4	ChEMBL_147346 (CHEMBL756190)	The compound was tested for binding affinity against Opioid receptor delta 1 by using [3H]- DPDPE as a radioligand
50009014	3	ChEMBL_42762 (CHEMBL653732)	Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.
50007818	1	ChEMBL_31336 (CHEMBL645542)	Evaluated in vitro for the inhibition of Aldose reductase.
50009067	11	ChEMBL_162607 (CHEMBL771319)	The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase beta (SH-PTP1) (human PTPases.)
50009067	5	ChEMBL_162264 (CHEMBL771169)	The compound was tested in vitro for the inhibitory activity against hPTP1B (human PTPases.)
50009067	6	ChEMBL_162263 (CHEMBL771168)	The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1B (human PTPases.)
50009081	1	ChEMBL_90899 (CHEMBL699512)	Inhibition of the 3'-end joining activity of HIV-1 integrase
50009081	2	ChEMBL_90900 (CHEMBL699513)	Inhibition of the 3'-processing activity of HIV-1 integrase
50007827	1	ChEMBL_159274 (CHEMBL764258)	Inhibitory concentration in DMSO with purified ovine Prostaglandin G/H synthase 1 (COX-1).
50007827	2	ChEMBL_159603 (CHEMBL760085)	Inhibitory concentration in DMSO with purified human Prostaglandin G/H synthase 2 (COX-2)
50007829	2	ChEMBL_96635 (CHEMBL705707)	Inhibition constant of compound measured toward human leukocyte elastase (HLE) at pH 8 and 25 degree C.
50009165	9	ChEMBL_61154 (CHEMBL671240)	Binding affinity using [3H]spiperone displacement from cloned human Dopamine receptor D4.2 expressed in CHO-K1 cells
50007831	7	ChEMBL_208122 (CHEMBL818152)	Inhibitory activity was measured against thrombin.
50009165	10	ChEMBL_1574 (CHEMBL616564)	Compound was tested for binding affinity using [3H]8-OH-DPAT against 5-hydroxytryptamine 1A receptor
50009165	4	ChEMBL_61011 (CHEMBL675016)	Compound was tested for the inhibition of [3H]-thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2
50009251	2	ChEMBL_160286 (CHEMBL769614)	Displacement of [3H-20]-phorbol 12,13-dibutyrate(PDBU) from recombinant Protein kinase C alpha
50007831	4	ChEMBL_212561 (CHEMBL814764)	Inhibitory activity was measured against trypsin.
50007831	3	ChEMBL_48639 (CHEMBL659619)	Inhibitory activity was measured against Coagulation factor X
50007831	6	ChEMBL_155077 (CHEMBL765078)	Inhibitory activity was measured against plasmin.
50007831	5	ChEMBL_96630 (CHEMBL705702)	Inhibitory activity was measured against human leukocyte elastase.
50009252	2	ChEMBL_195667 (CHEMBL800662)	Inhibition of Reverse transcriptase (Wild Type) with poly(rA)600:oligo(dT)10 template primer
50009252	3	ChEMBL_195668 (CHEMBL800663)	Inhibition of Reverse transcriptase (Y181C) using poly(rA)600:oligo(dT)10 as template primer.
50009252	4	ChEMBL_195666 (CHEMBL800661)	Inhibition of Reverse transcriptase (P236L) using poly(rA)600:oligo(dT)10 as template primer.
50007831	1	ChEMBL_212975 (CHEMBL816997)	Inhibitory activity was measured against urokinase.
50007832	1	ChEMBL_210069 (CHEMBL813593)	Inhibitory activity of telomerase was measured using the TRAP assay.
50007834	4	ChEMBL_59918 (CHEMBL670113)	In vitro binding affinity at human cloned Dopamine receptor D2 by [3H]spiroperidol displacement.
50007834	6	ChEMBL_836 (CHEMBL615836)	Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in rat hippocampal membrane.
50007834	3	ChEMBL_63088 (CHEMBL676184)	In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]YM-09151-2 displacement.
50007834	2	ChEMBL_60366 (CHEMBL672101)	In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]spiroperidol as radioligand.
50007834	5	ChEMBL_60814 (CHEMBL674966)	In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]YM-09151-2 as radioligand.
50022986	1	ChEMBL_550798 (CHEMBL995665)	Inhibition of human thrombin by fibrinogen-clot assay
50022991	1	ChEMBL_550822 (CHEMBL995689)	Inhibition of pig pancreatic trypsin after 15 mins
50022991	2	ChEMBL_550824 (CHEMBL995691)	Inhibition of amidolytic activity of human tissue factor/human factor 7a
50022992	4	ChEMBL_550851 (CHEMBL1007650)	Inhibition of human factor 10a-catalyzed hydrolysis of S-2222
50022992	5	ChEMBL_550850 (CHEMBL1007649)	Inhibition of human factor 10a
50022992	2	ChEMBL_550849 (CHEMBL1007648)	Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen
50022992	3	ChEMBL_550848 (CHEMBL1007647)	Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238
50022992	1	ChEMBL_550847 (CHEMBL1007646)	Inhibition of bovine thrombin by Lineweaver-Burke plot analysis
50009290	2	ChEMBL_105859 (CHEMBL717329)	Agonistic activity against mouse Melanocortin 1 receptor (mMC1R)
50009405	7	ChEMBL_145326 (CHEMBL750414)	Binding affinity in CHO cells stably expressing cloned human Opioid receptor delta 1 by displacing radioligand [3H][D-Ala2,D-Leu5]enkephalin
50009405	14	ChEMBL_146110 (CHEMBL754580)	Antagonistic activity against nociceptin produced [35S]GTP-gamma-S, binding to Opioid receptor like 1 expressed in CHO cells
50009405	6	ChEMBL_146113 (CHEMBL754582)	Inhibition of [125I]-Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells
50009405	3	ChEMBL_146105 (CHEMBL754507)	Agonistic activity measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells.
50009405	15	ChEMBL_145337 (CHEMBL750572)	Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to human Opioid receptor delta 1 in CHO cells
50009405	9	ChEMBL_146112 (CHEMBL754581)	Binding affinity in CHO cells stably expressing cloned human Opioid receptor like 1 by displacing radioligand [125I]Tyr14-nociceptin
50009405	4	ChEMBL_146104 (CHEMBL754506)	Agonistic activity measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells
50009405	8	ChEMBL_146111 (CHEMBL857695)	Antagonistic activity measured by GTPgammaS binding against Opioid receptor like 1 in CHO cells
50009405	5	ChEMBL_146103 (CHEMBL754505)	Agonistic activity against nociceptin produced GTPgammaS binding to Opioid receptor like 1 expressed in CHO cells
50009493	6	ChEMBL_105865 (CHEMBL884508)	Compound was tested for its agonist activity against Ser165 and Thr188 (Metabotropic glutamate receptor 1) receptor.
50009493	7	ChEMBL_105870 (CHEMBL717338)	Compound was tested for its agonist activity against Ser165 and Thr188 (Metabotropic glutamate receptor 1) receptor.
50009493	4	ChEMBL_105578 (CHEMBL709774)	Compound was tested for its agonist activity against Ser165 and Thr188 (Metabotropic glutamate receptor 1) receptor.
50007840	1	ChEMBL_200964 (CHEMBL802052)	Binding affinity was tested against sigma-1 receptor in guinea brain membranes.
50009526	6	ChEMBL_105228 (CHEMBL712559)	In vitro inhibitory activity against matrix metalloprotease-9 (MMP-9)
50009620	2	ChEMBL_33359 (CHEMBL644763)	Tested for Binding affinity towards alpha-2B adrenergic receptor
50009620	8	ChEMBL_33358 (CHEMBL644762)	Binding affinity towards Alpha-2B adrenergic receptor
50009620	7	ChEMBL_32551 (CHEMBL645686)	Tested for Binding affinity towards alpha-1 adrenergic receptor
50009623	3	ChEMBL_159743 (CHEMBL762907)	In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2
50009623	4	ChEMBL_158734 (CHEMBL768741)	In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 1
50009634	2	ChEMBL_161416 (CHEMBL766516)	Binding Affinity against protein kinase C alpha
50009643	2	ChEMBL_217519 (CHEMBL820842)	Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay)
50009707	2	ChEMBL_155214 (CHEMBL762831)	Inhibition of phosphodiesterase type 5 (PDE5) of human platelets
50009745	5	ChEMBL_30801 (CHEMBL645077)	Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)
50009745	2	ChEMBL_28868 (CHEMBL644200)	Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)
50009749	3	ChEMBL_90867 (CHEMBL872965)	Inhibitory activity against Integrase in strand transfer(integration)
50009749	8	ChEMBL_90729 (CHEMBL701281)	Inhibitory activity against HIV-1 Integrase in 3'-end- processing
50009749	6	ChEMBL_90732 (CHEMBL701284)	Inhibitory activity against HIV-1 Integrase in strand transfer (integration) was tested in CEM cells
50009749	7	ChEMBL_90731 (CHEMBL701283)	Inhibitory activity against HIV-1 Integrase in strand transfer (integration)
50009749	2	ChEMBL_90865 (CHEMBL699300)	Inhibitory activity against Integrase in 3'-end- processing
50009749	5	ChEMBL_90730 (CHEMBL701282)	Inhibitory activity against HIV-1 Integrase in 3'-end- processing was tested in CEM cells
50009749	1	ChEMBL_90866 (CHEMBL878457)	Inhibitory activity against Integrase in strand transfer (integration)
50009788	3	ChEMBL_158599 (CHEMBL769641)	Compound was tested for its inhibitory activity against recombinant human Prostaglandin G/H synthase 1
50009789	2	ChEMBL_70353 (CHEMBL677178)	Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells
50009790	5	ChEMBL_160905 (CHEMBL771801)	The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.
50009790	4	ChEMBL_160906 (CHEMBL771802)	The compound was tested for irreversible inhibition of Human Rhinovirus (HRV) 3C Protease.
50009790	2	ChEMBL_160903 (CHEMBL771799)	Inhibition of Human Rhinovirus (HRV-14) 3C Protease
50007845	1	ChEMBL_2864 (CHEMBL617406)	Binding affinity against the cloned human 5-hydroxytryptamine 2B receptor using [3H]5-HT as the radioligand
50007845	2	ChEMBL_2289 (CHEMBL617074)	Binding affinity against the cloned human 5-hydroxytryptamine 2A receptor using [125I]DOI as the radioligand
50007845	4	ChEMBL_2968 (CHEMBL617908)	Binding affinity against the cloned human 5-hydroxytryptamine 2C receptor using [125I]DOI as the radioligand
50007845	3	ChEMBL_1323 (CHEMBL616950)	Binding affinity against the 5-hydroxytryptamine 1A receptor labelled with [3H]8-OH-DPAT in rat hippocampal homogenates
50007850	1	ChEMBL_62567 (CHEMBL671498)	Binding affinity against rat Dopamine receptor D2.
50007850	4	ChEMBL_2837 (CHEMBL621523)	Binding affinity against rat 5-hydroxytryptamine 2C receptor in A-9 cells.
50007850	3	ChEMBL_1166 (CHEMBL616111)	Binding affinity against rat 5-hydroxytryptamine 1A receptor in CHO cells.
50007850	2	ChEMBL_2658 (CHEMBL618907)	Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells.
50009805	6	ChEMBL_105390 (CHEMBL710809)	Inhibitory activity against the Matrix metalloprotease-9
50009805	5	ChEMBL_49490 (CHEMBL662785)	Inhibitory activity against the Clostridium histolyticum collagenase (ChC)
50007855	1	ChEMBL_2863 (CHEMBL617504)	Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]5-HT as the radioligand.
50007855	2	ChEMBL_2287 (CHEMBL617072)	Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]DOI as the radioligand.
50007855	3	ChEMBL_2611 (CHEMBL617479)	Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MDL- 100,907 as radioligand in rat cortical homogenates.
50007855	4	ChEMBL_2967 (CHEMBL617907)	Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]DOI as the radioligand.
50007856	2	ChEMBL_72990 (CHEMBL680803)	Binding affinity towards cloned human glucagon receptor in BHK cells.
50007856	1	ChEMBL_72857 (CHEMBL683954)	Compound was evaluated for its binding affinity towards cloned human Glucagon receptor in BHK cells
50009844	3	ChEMBL_158728 (CHEMBL768736)	Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human
50009935	6	ChEMBL_106624 (CHEMBL717008)	Inhibition of Matrix metalloprotease-13
50009935	7	ChEMBL_105511 (CHEMBL874163)	Inhibition of Matrix metalloprotease-9
50009935	8	ChEMBL_106284 (CHEMBL714633)	Inhibition of Matrix metalloprotease-1
50010074	20	ChEMBL_32529 (CHEMBL646563)	Binding affinity towards human alpha-2B-adrenergic receptor, using [3H]rauwolscine as radioligand.
50010074	21	ChEMBL_34188 (CHEMBL649048)	Binding affinity towards Alpha1B dog adrenergic receptors, using [125I]HEAT as radioligand.
50010074	22	ChEMBL_32506 (CHEMBL641525)	Binding affinity towards Alpha1A dog adrenergic receptors, using [125I]HEAT as radioligand.
50010074	19	ChEMBL_92765 (CHEMBL700065)	Inhibition of [3H]nitrendipine binding to rat L-type Ca-channel receptor
50010074	8	ChEMBL_32515 (CHEMBL641396)	Binding affinity towards Alpha1D dog adrenergic receptors, using [125I]-HEAT as radioligand.
50010074	23	ChEMBL_1571 (CHEMBL616561)	Binding affinity towards 5-hydroxytryptamine 1A receptor receptor, using [3H]5-HT as radioligand.
50010083	4	ChEMBL_159279 (CHEMBL764263)	In vitro inhibitory activity against ovine Prostaglandin G/H synthase 1 (44 nM) using [14C]AA (50 uM) was determined
50010083	5	ChEMBL_159749 (CHEMBL762913)	In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]AA (50 uM) was determined
50010113	4	ChEMBL_158913 (CHEMBL763301)	Inhibitory activity against Prostaglandin G/H synthase 1
50010118	3	ChEMBL_160292 (CHEMBL769620)	Affinity for protein kinase-C alpha (PK-C alpha)
50010118	2	ChEMBL_160434 (CHEMBL762305)	Affinity for protein kinase C alpha
50010217	2	ChEMBL_88875 (CHEMBL698212)	Activation of human insulin receptor tyrosine kinase (IRTK)
50007863	1	ChEMBL_159664 (CHEMBL761792)	Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells
50010272	7	ChEMBL_38309 (CHEMBL647872)	Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-2 adrenergic receptor in the presence of [125I]- iodocyanopindolol.
50010272	1	ChEMBL_216172 (CHEMBL821232)	In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta-2 receptor.
50010272	6	ChEMBL_216187 (CHEMBL818914)	In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptor
50010272	8	ChEMBL_38929 (CHEMBL648171)	Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]- iodocyanopindolol.
50010272	9	ChEMBL_37375 (CHEMBL649965)	Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-1 adrenergic receptor in the presence of [125I]- iodocyanopindolol.
50010276	4	ChEMBL_145306 (CHEMBL752841)	Agonist potency was measured using GTP gamma-[35S] binding assay
50010276	5	ChEMBL_145322 (CHEMBL750410)	Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand
50010276	6	ChEMBL_145601 (CHEMBL749744)	Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand
50007870	10	ChEMBL_1344 (CHEMBL616529)	Binding affinity for recombinant human 5-hydroxytryptamine 1B receptor using [3H]5-HT as radioligand.
50010276	7	ChEMBL_145104 (CHEMBL751988)	Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand
50007870	5	ChEMBL_2299 (CHEMBL617084)	Binding affinity for recombinant human 5-hydroxytryptamine 2A receptor using [3H]5-HT as radioligand.
50007870	2	ChEMBL_85653 (CHEMBL702004)	Binding affinity for recombinant human Histamine H2 receptor using [3H]tiotidine as radioligand.
50007870	8	ChEMBL_1714 (CHEMBL872914)	Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor using [3H]5-HT as radioligand.
50007870	9	ChEMBL_33068 (CHEMBL647967)	Binding affinity for recombinant human Alpha-2A adrenergic receptor using [3H]rauwolscine as radioligand.
50007870	12	ChEMBL_33528 (CHEMBL876746)	Binding affinity for recombinant human Alpha-2C adrenergic receptor using [3H]rauwolscine as radioligand.
50007870	7	ChEMBL_84428 (CHEMBL691616)	Binding affinity for recombinant human Histamine H1 receptor using [3H]pyrilamine as radioligand.
50007870	4	ChEMBL_916 (CHEMBL615764)	Binding affinity for recombinant human 5-hydroxytryptamine 1A receptor using [3H]5-HT as radioligand.
50007871	1	ChEBML_202099	Compound was tested for inhibition of squalene synthase from rat liver microsomes using [3H]farnesyl pyrophosphate (FPP) as substrate
50010277	4	ChEMBL_145330 (CHEMBL750418)	Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.
50010277	5	ChEMBL_145312 (CHEMBL751918)	Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.
50007875	1	ChEBML_49618	Compound was evaluated for inhibitory activity against Chymotrypsinogen
50007875	4	ChEMBL_49618 (CHEMBL661268)	Compound was evaluated for inhibitory activity against Chymotrypsinogen
50007876	2	ChEBML_49443	Compound was evaluated for inhibitory activity against human heart chymase (HHC)
50007876	1	ChEBML_49617	Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen
50007878	1	ChEBML_79947	Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay)
50007880	4	ChEMBL_53900 (CHEMBL665111)	Compound was tested for 50% inhibition of N-Succinyl Diaminopimelic Acid Aminotransferase (DAP-AT) from Escherichia coli.
50007882	1	ChEBML_90979	Inhibition of human recombinant IL-1 beta converting enzyme
50010387	3	ChEMBL_105580 (CHEMBL710045)	Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells
50010390	5	ChEMBL_158976 (CHEMBL763743)	Tested for protease activity against protease, activity is expressed as IC50 (uM).
50010390	2	ChEMBL_158970 (CHEMBL766327)	Inhibitory activity against Protease
50007887	2	ChEBML_62390	Affinity for Dopamine receptor D2
50010410	6	ChEMBL_145608 (CHEMBL749751)	Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor delta 1 expressed in CHO-K1 cells.
50010509	4	ChEMBL_90549 (CHEMBL701899)	Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.
50007887	6	ChEBML_58646	Affinity for Dopamine receptor D1
50010509	3	ChEMBL_90552 (CHEMBL873216)	Inhibitory activity was determined against recombinant HIV-1 Integrase (0.1 uM) in strand transfer enzyme assay
50010523	2	ChEMBL_155201 (CHEMBL762818)	In vitro inhibitory concentration against human platelet Phosphodiesterase 5 was determined
50010525	3	ChEMBL_146897 (CHEMBL751671)	Affinity towards human Opioid receptor delta 1 on CHO cell membranes using [3H]DPDPE displacement.
50010525	4	ChEMBL_148841 (CHEMBL873069)	Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement.
50007888	3	ChEBML_71304	Compound was evaluated for inhibition of Saccharomyces cerevisiae glyoxalase-I, activity is determined with 0.5 mM substrate
50007889	2	ChEBML_80095	The compound was evaluated for inhibition of HIV protease
50007889	1	ChEMBL_80093 (CHEMBL687817)	Compound was evaluated for inhibition of HIV protease
50007890	1	ChEBML_58463	In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]spiperone displacement.
50007890	7	ChEMBL_58935 (CHEMBL671250)	In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]spiperone displacement.
50007890	3	ChEBML_58780	In vitro binding affinity against human D3 dopamine receptor in CHO cells using [3H]spiperone
50007890	2	ChEBML_2468	In vitro binding affinity against 5-hydroxytryptamine 2A receptor in CHO cells
50007892	1	ChEBML_208910	Inhibition constant was evaluated for inhibitory activity against the blood coagulant thrombin
50007893	1	ChEBML_92610	Compound was evaluated for the inhibition of L-pipecolate oxidase(LPO) isolated from frozen Rhesus monkey liver
50007894	10	ChEBML_159369	Antagonistic activity against hPR in co-transfected CV-1 cell
50007894	7	ChEBML_123677	Antagonistic activity against hMR in co-transfected CV-1 cell
50007894	4	ChEBML_71098	Antagonistic activity against Glucocorticoid receptor in co-transfected CV-1 cell
50010528	2	ChEMBL_197277 (CHEMBL804264)	Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade
50010528	3	ChEMBL_195341 (CHEMBL802583)	Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade
50007896	13	ChEBML_218840	Tested for agonist activity in non-neuronal cells (RGT) expressing human mGlu7a receptor by measuring L-AP4 (1000 uM of forskolin (15 uM)-stimulated cAMP formation
50007896	4	ChEBML_106557	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 4 by measuring L-AP4 (3 uM) induced inhibition of forskolin (15 uM)-stimulated cAMP formation
50007896	9	ChEMBL_106043 (CHEMBL717365)	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 2 by measuring ACPD (3 uM) induced inhibition of forskolin (15 uM)-stimulated cAMP formation
50010654	8	ChEBML_106773	Inhibition of Matrix metalloprotease-14
50010654	9	ChEBML_105223	Inhibition of Matrix metalloprotease-9
50010655	7	ChEBML_105224	Inhibition of Matrix metalloprotease-9
50010655	8	ChEBML_106774	Inhibition of Matrix metalloprotease-14
50007896	1	ChEBML_104491	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 8 by measuring L-AP4 (0.3 uM of forskolin) (15 uM)-stimulated cAMP formation
50010663	4	ChEMBL_217830 (CHEMBL822750)	Inhibitory activity against cell-free canine COX-1
50010681	4	ChEBML_147167	Displacement of [3H]naltrindole from Opioid receptor delta 1 of guinea pig brain membranes
50010681	5	ChEMBL_145299 (CHEMBL752834)	Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membranes
50007896	10	ChEBML_106381	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 3 by measuring ACPD (3 uM) induced inhibition of forskolin (15 uM)-stimulated cAMP formation
50010681	6	ChEMBL_146666 (CHEMBL755869)	Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes
50007896	6	ChEMBL_106723 (CHEMBL715729)	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 5 by measuring ACPD (100 uM)-stimulated phosphoinositide hydrolysis
50007896	11	ChEBML_106043	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 2 by measuring ACPD (3 uM) induced inhibition of forskolin (15 uM)-stimulated cAMP formation
50010698	12	ChEMBL_161140 (CHEMBL767408)	Displacement of 3[H]PDBu from Protein kinase C eta C1b domain
50010698	3	ChEMBL_161304 (CHEMBL772112)	Displacement of 3[H]PDBu from Protein kinase C gamma C1b domain
50010698	1	ChEMBL_160795 (CHEMBL767266)	Displacement of 3[H]PDBu from Protein kinase C delta C1a domain
50010698	5	ChEBML_160445	Displacement of 3[H]PDBu from Protein kinase C alpha C1b domain
50007896	5	ChEBML_106723	Tested for agonist activity in non-neuronal cells (RGT) expressing human Metabotropic glutamate receptor 5 by measuring ACPD (100 uM)-stimulated phosphoinositide hydrolysis
50010698	17	ChEMBL_161136 (CHEMBL767404)	Displacement of 3[H]PDBu from Protein kinase C eta C1a domain
50010698	18	ChEMBL_160436 (CHEMBL762307)	Displacement of 3[H]PDBu from Protein kinase C alpha C1a domain
50010698	16	ChEMBL_161106 (CHEMBL772738)	Displacement of 3[H]PDBu from Protein kinase C epsilon C1a domain
50010698	15	ChEMBL_160445 (CHEMBL762315)	Displacement of 3[H]PDBu from Protein kinase C alpha C1b domain
50010698	9	ChEMBL_160627 (CHEMBL768283)	Displacement of 3[H]PDBu from Protein kinase C beta C1a domain
50010699	6	ChEMBL_160437 (CHEMBL762308)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C alpha C1a domain
50007898	2	ChEBML_48467	Inhibition against human Coagulation factor VII
50007898	1	ChEMBL_210652 (CHEMBL811614)	Inhibition of trypsin
50007898	5	ChEMBL_69689 (CHEMBL682025)	Inhibition against human coagulation factor Xa
50007898	8	ChEMBL_208350 (CHEMBL813660)	Inhibition against human thrombin
50010699	15	ChEMBL_160797 (CHEMBL767268)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C delta C1a domain
50010699	2	ChEMBL_160634 (CHEMBL768244)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C beta C1b domain
50010699	10	ChEMBL_161107 (CHEMBL772739)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1a domain
50010699	16	ChEMBL_160443 (CHEMBL762313)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C alpha C1b domain
50010699	13	ChEMBL_161432 (CHEMBL772567)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C eta C1b domain
50010699	12	ChEMBL_161297 (CHEMBL772105)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain
50010699	11	ChEMBL_160941 (CHEMBL769104)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C delta C1b domain
50010699	17	ChEMBL_161112 (CHEMBL772744)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain
50010699	19	ChEMBL_161312 (CHEMBL772754)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C eta C1a domain
50010704	4	ChEBML_216183	Agonistic activity was assessed by measurement of cAMP accumulation levels in CHO cells expressing human beta-2-adrenergic receptor
50010743	4	ChEMBL_221542 (CHEMBL840421)	Relaxant effect on rabbit corpus cavernosal tissue strips
50010743	3	ChEMBL_154562 (CHEMBL757897)	Inhibition of PDE5 of human platelets
50007902	1	ChEBML_208320	Binding affinity towards thrombin was evaluated
50007902	2	ChEBML_212736	Binding affinity towards trypsin was evaluated
50007903	1	ChEBML_80092	HIV protease inhibition.
50010743	2	ChEMBL_154561 (CHEMBL757896)	Inhibition of PDE5 of human platelets
50007906	2	ChEBML_101751	Binding affinity was evaluated against matrix metalloprotease-1
50007906	1	ChEBML_101949	Binding affinity against human matrix metalloprotease-3.
50010743	5	ChEMBL_164976 (CHEMBL774071)	Relaxant effect on rabbit corpus cavernosal tissue strips
50010779	13	ChEMBL_218695 (CHEMBL821481)	Inhibitory activity against [125I]-MIP-1 alpha binding to mouse CCR1 receptors.
50007911	2	ChEBML_205036	In vitro inhibitory activity against human Steroid 5-alpha-reductase type 2 in COS-1 cells was determined
50007911	1	ChEBML_204895	In vitro inhibitory activity against human Steroid 5-alpha-reductase type 1 in COS-1 cells was determined
50007912	1	ChEBML_211862	Compound was tested for its ability to inhibit the glutamate induced polymerization of tubulin
50007913	2	ChEBML_221799	Inhibition of p72 syk autophosphorylation
50007913	1	ChEBML_221639	Inhibition of p56 lck autophosphorylation, gamma-[33P]ATP incorporation
50007914	4	ChEBML_221824	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes
50010779	2	ChEMBL_220711 (CHEMBL843656)	Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.
50010779	14	ChEMBL_218698 (CHEMBL821484)	Inhibitory activity against I-Eotaxin induced [Ca2+] response in mouse CCR3 receptor
50010779	10	ChEMBL_220715 (CHEMBL843660)	Inhibitory activity against I-Eotaxin induced [Ca2+] response in human CCR3 receptor
50010779	5	ChEMBL_218696 (CHEMBL821482)	inhibitory activity against MIP-1 alpha- induced [Ca2+] response in U937 cells expressing mouse CCR1 receptor
50007914	3	ChEMBL_221824 (CHEMBL841977)	Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes
50011035	7	ChEMBL_145325 (CHEMBL750413)	Binding affinity at cloned human delta-opioid receptor
50011035	5	ChEMBL_145196 (CHEMBL756059)	Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor
50007915	1	ChEBML_201044	In vitro binding affinity against serotonin 5-HT1A receptor in rat cerebral cortex membrane using [3H]8-OH-DPAT as radioligand
50007915	3	ChEBML_62867	In vitro binding affinity against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand
50011035	8	ChEMBL_145106 (CHEMBL751990)	Binding affinity at cloned human opioid receptor kappa 1
50011035	6	ChEMBL_147230 (CHEMBL754918)	Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1
50011035	3	ChEMBL_149485 (CHEMBL758076)	Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor
50011035	9	ChEMBL_149490 (CHEMBL757823)	Binding affinity at cloned human mu-opioid receptor
50011102	3	ChEMBL_158758 (CHEMBL772920)	Inhibition of Prostaglandin G/H synthase 1 in U-937 cells from human histiocytic lymphoma
50011129	3	ChEMBL_70976 (CHEMBL680554)	Inhibition of human Glycine Transporter type-2
50011129	4	ChEMBL_70973 (CHEMBL680552)	In vitro inhibition of human Glycine Transporter type-1.
50011133	2	ChEMBL_198036 (CHEMBL800733)	In vitro inhibitory activity against human SDH
50011184	3	ChEMBL_158763 (CHEMBL877861)	Inhibition of human Prostaglandin G/H synthase 1
50007922	2	ChEBML_210590	Compound was tested for inhibitory activity against bovine thrombin
50007922	1	ChEBML_225388	The compound was tested for inhibitory activity against tissue plasminogen activator
50007922	6	ChEBML_48829	The compound was tested for inhibitory activity against Coagulation factor X
50007922	5	ChEBML_208352	Compound was tested for inhibitory activity against human thrombin
50007922	7	ChEMBL_212335 (CHEMBL818259)	Compound was tested for inhibitory activity against bovine trypsin
50007924	1	ChEBML_89965	Binding affinity towards Inositol 1,4,5-trisphosphate receptor was evaluated by the standard competitive binding assay using 1.25 nM [3H]D-I(1,4,5)P3 binding protein, prepared from bovine adrenal cortex
50007925	1	ChEBML_1727	In vitro binding affinity was determined towards cloned human 5-hydroxytryptamine 1D receptor using [3H]5-CT radioligand
50011196	5	ChEMBL_159572 (CHEMBL765859)	Inhibitory concentration against Prostaglandin G/H synthase 1
50011196	2	ChEMBL_158926 (CHEMBL768831)	Inhibitory concentration against Prostaglandin G/H synthase 1
50007925	3	ChEBML_1597	Effective concentration determined by measuring inhibition of forskolin-stimulated c-AMP formation at 5-hydroxytryptamine 1B receptor stably transfected in CHO cell lines
50007925	2	ChEBML_950	In vitro binding affinity was determined towards cloned human 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand
50011196	4	ChEMBL_159596 (CHEMBL760078)	Inhibitory concentration against Prostaglandin G/H synthase 2
50011232	6	ChEMBL_105230 (CHEMBL712561)	In vitro inhibition of human matrix metalloprotease-9
50011233	6	ChEMBL_105231 (CHEMBL712562)	Inhibition of human matrix metalloprotease-9
50007928	3	ChEMBL_79475 (CHEMBL691405)	Inhibitory activity against HIV-1 Protease was determined
50007928	1	ChEBML_157550	Binding affinity was evaluated for competitive inhibition of HIV-1 Protease
50007928	2	ChEMBL_157550 (CHEMBL763137)	Binding affinity was evaluated for competitive inhibition of HIV-1 Protease
50007929	1	ChEBML_219331	Inhibition of binding to human ZAP-70 SH2 domain
50011294	2	ChEMBL_106786 (CHEMBL718393)	Inhibition of matrix metalloprotease-14
50011294	10	ChEMBL_106783 (CHEMBL718390)	In vitro inhibitory activity against the catalytic domain of human matrix metalloprotease-14
50011294	11	ChEMBL_105381 (CHEMBL710801)	In vitro inhibition of human matrix metalloprotease-9
50011294	1	ChEMBL_106784 (CHEMBL718391)	In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14
50007934	2	ChEBML_104457	Antagonistic activity against rat (mGluR) metabotropic glutamate receptor 6 stably expressed in chinese hamster ovary (CHO) cells
50007934	1	ChEBML_106712	Antagonistic activity against rat (mGluR) metabotropic glutamate receptor 4a stably expressed in chinese hamster ovary (CHO) cells
50007935	1	ChEBML_99993	In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of DMSO differentiated human U937 cell membranes
50011306	6	ChEMBL_105382 (CHEMBL710802)	Inhibition of human matrix metalloprotease-9
50011306	7	ChEMBL_106142 (CHEMBL718689)	Inhibition of matrix metalloprotease-1
50011306	8	ChEMBL_104536 (CHEMBL718313)	Inhibition of matrix metalloprotease-2
50007939	2	ChEBML_144140	Binding affinity at cloned Neuropeptide Y-1 receptor expressed in AV-12 cells is evaluated.
50007939	1	ChEMBL_143840 (CHEMBL747051)	Binding affinity at cloned Neuropeptide Y receptor type 1 expressed in AV-12 cells is evaluated.
50011307	15	ChEMBL_105383 (CHEMBL872557)	Inhibition of human matrix metalloprotease-9
50011307	16	ChEMBL_106787 (CHEMBL718394)	Inhibition of matrix metalloprotease-14
50011376	6	ChEMBL_220872 (CHEMBL824628)	Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding)
50011376	4	ChEMBL_220876 (CHEMBL824632)	Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)
50011376	7	ChEMBL_220873 (CHEMBL824629)	Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)
50011376	8	ChEMBL_220875 (CHEMBL824631)	Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5.
50011383	3	ChEMBL_154564 (CHEMBL757899)	Inhibition of PDE5 from platelets
50011383	1	ChEMBL_154563 (CHEMBL757898)	Inhibition of PDE5 from platelets
50011412	4	ChEMBL_152974 (CHEMBL760367)	Binding affinity for PKC alpha (C1b domain)
50011437	3	ChEMBL_106824 (CHEMBL717665)	Agonist activity against mouse melanocortin-1 receptor
50011448	5	ChEMBL_105523 (CHEMBL715232)	Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9
50011494	2	ChEMBL_152973 (CHEMBL760366)	Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)
50011552	7	ChEMBL_158957 (CHEMBL873637)	Concentration required to inhibit Human cytomegalo virus(HCMV) protease activity measured by pNA assay
50011552	9	ChEMBL_158954 (CHEMBL767339)	Ability to inhibit Human cytomegalovirus (HCMV) protease activity
50011552	4	ChEMBL_158963 (CHEMBL769609)	Binding affinity towards Human cytomegalovirus (HCMV) protease
50011568	8	ChEMBL_105522 (CHEMBL715231)	In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay
50011568	9	ChEMBL_105209 (CHEMBL713848)	Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assay
50011568	10	ChEMBL_104551 (CHEMBL718937)	In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay
50011568	11	ChEMBL_104893 (CHEMBL715751)	Inhibition of Matrix metalloprotease-3 (MMP-3) in fluorimetric assay
50011568	12	ChEMBL_106297 (CHEMBL714553)	In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay
50011568	13	ChEMBL_106639 (CHEMBL717023)	Inhibition of Matrix metalloprotease-13 (MMP-13) in fluorimetric assay
50011620	16	ChEMBL_1564 (CHEMBL616351)	Inhibition of 5-OH-DPAT binding to 5-hydroxytryptamine 1A receptor
50011626	3	ChEMBL_201003 (CHEMBL801253)	Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)
50011626	2	ChEMBL_201010 (CHEMBL882165)	Concentration required for 50% in vitro inhibition in sheep liver sorbitol dehydrogenase (s-SDH)
50011630	5	ChEMBL_154150 (CHEMBL759820)	Inhibition of pepsin
50011707	6	ChEMBL_105379 (CHEMBL712458)	Inhibition of Matrix metalloprotease-9 (MMP-9)
50011707	7	ChEMBL_63592 (CHEMBL675239)	Inhibition of heparin-binding epidermal growth factor (HB-EGF) shedding
50011707	8	ChEMBL_106133 (CHEMBL718681)	Inhibition of Matrix metalloprotease-1 (MMP-1)
50011707	9	ChEMBL_104744 (CHEMBL710744)	Inhibition of Matrix metalloprotease-3 (MMP-3)
50011767	3	ChEMBL_42610 (CHEMBL654175)	Inhibition of [125I]-salmon calcitonin (sCT) binding to human calcitonin receptor I1 expressed in HEK293 cells
50011767	4	ChEMBL_42740 (CHEMBL654539)	Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain
50007947	2	ChEBML_159918	Inhibitory activity was evaluated against human Prostaglandin G/H synthase 2 was determined
50011809	2	ChEMBL_195083 (CHEMBL797537)	Inhibition of DNA synthesis by HIV reverse transcriptase
50007952	3	ChEBML_136097	Inhibitory concentration required against biological activity of mu opioid receptor from guinea pig ileum (GPI)
50011814	3	ChEMBL_156209 (CHEMBL767151)	Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay
50007953	1	ChEBML_63869	Inhibition of [125I]ET1 binding to porcine kidney inner medulla membrane Endothelin B receptor
50007953	2	ChEBML_63362	Inhibition of [125I]ET1 binding to rat aorta membrane Endothelin A receptor
50007954	3	ChEBML_70455	Inhibitory activity towards human recombinant fibroblast collagenase
50007954	2	ChEBML_41676	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 5-10
50007954	1	ChEMBL_41676 (CHEMBL655819)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 5-10
50007955	1	ChEBML_41669	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 100-200
50007955	10	ChEBML_70456	Inhibitory activity towards human recombinant fibroblast collagenase
50007955	6	ChEMBL_41673 (CHEMBL655816)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 20000-30000
50007955	4	ChEMBL_41670 (CHEMBL877262)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 100-300
50007955	9	ChEMBL_41674 (CHEMBL655817)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 30-100
50007955	2	ChEMBL_41669 (CHEMBL655813)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 100-200
50007955	8	ChEMBL_41675 (CHEMBL655818)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 40-80
50007955	7	ChEMBL_41672 (CHEMBL655815)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 1000-4000
50007955	3	ChEMBL_41671 (CHEMBL655814)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 1000-3000
50007955	5	ChEMBL_41806 (CHEMBL651875)	Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line); value ranges from 50-150
50007958	3	ChEBML_142883	Affinity towards hNK1 receptor by displacement of [125I]- Substance P from hNK1 receptor expressed in CHO cells
50007958	1	ChEBML_209386	Binding affinity for Tachykinin receptor 2
50007958	4	ChEBML_209715	Binding affinity for Tachykinin receptor 3
50007960	1	ChEBML_68127	Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 45 nM
50007960	2	ChEBML_64135	Tested for rate of substrate hydrolysis in the presence of human neutrophil elastase
50011814	1	ChEMBL_156210 (CHEMBL767152)	Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay
50011820	5	ChEMBL_159925 (CHEMBL769651)	Inhibitory effect on Prostaglandin G/H synthase 2 activity was evaluated in human whole blood as LPS-induced PGE-2 generation
50011820	1	ChEMBL_159898 (CHEMBL766726)	Inhibition of PGE-2 generation in LPS-stimulated human monocytes (Prostaglandin G/H synthase 2 cell assay)
50011820	6	ChEMBL_158931 (CHEMBL768836)	Inhibitory effect on Prostaglandin G/H synthase 1 activity was evaluated in human whole blood as TXB2 production
50011820	4	ChEMBL_158762 (CHEMBL772924)	Inhibition of arachidonic acid induced TXB2 generation in isolated human platelets (Prostaglandin G/H synthase 1 cell assay)
50011860	7	ChEMBL_158817 (CHEMBL761626)	antirhinoviral activity against HRV Protease 3CP (serotype 1A)
50011860	22	ChEMBL_158812 (CHEMBL761621)	antirhinoviral activity against HRV Protease 3CP (serotype 13)
50011860	23	ChEMBL_158813 (CHEMBL761622)	Inhibition of HRV Protease 3CP (serotype 14).
50011860	21	ChEMBL_158810 (CHEMBL884075)	antirhinoviral activity against HRV Protease 3CP (serotype 10)
50011860	19	ChEMBL_158820 (CHEMBL761629)	antirhinoviral activity against HRV Protease 3CP (serotype 23)
50011860	15	ChEMBL_158822 (CHEMBL761631)	antirhinoviral activity against HRV Protease 3CP (serotype 3)
50011860	10	ChEMBL_158809 (CHEMBL765657)	antirhinoviral activity against HRV Protease 3CP (serotype 10)
50011860	14	ChEMBL_158825 (CHEMBL761634)	antirhinoviral activity against HRV Protease 3CP (serotype 9)
50011860	5	ChEMBL_158815 (CHEMBL761624)	antirhinoviral activity against HRV Protease 3CP (serotype 16)
50011860	4	ChEMBL_161084 (CHEMBL771545)	antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 10)
50011860	3	ChEMBL_161083 (CHEMBL772819)	antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 14)
50011860	17	ChEMBL_158814 (CHEMBL761623)	antirhinoviral activity against HRV Protease 3CP (serotype 14)
50011860	12	ChEMBL_158824 (CHEMBL761633)	antirhinoviral activity against HRV Protease 3CP (serotype 78)
50011860	1	ChEMBL_158819 (CHEMBL761628)	antirhinoviral activity against HRV Protease 3CP (serotype 2)
50011860	11	ChEMBL_158811 (CHEMBL761620)	antirhinoviral activity against HRV Protease 3CP (serotype 11)
50011860	6	ChEMBL_158816 (CHEMBL761625)	antirhinoviral activity against HRV Protease 3CP (serotype 19)
50011860	8	ChEMBL_158826 (CHEMBL761635)	antirhinoviral activity against HRV Protease 3CP (serotype Hanks)
50011860	20	ChEMBL_158821 (CHEMBL761630)	antirhinoviral activity against HRV Protease 3CP (serotype 25)
50011860	18	ChEMBL_158823 (CHEMBL761632)	antirhinoviral activity against HRV Protease 3CP (serotype 39)
50011860	9	ChEMBL_158818 (CHEMBL761627)	antirhinoviral activity against HRV Protease 3CP (serotype 1A)
50011860	2	ChEMBL_161082 (CHEMBL772818)	antirhinoviral activity against  Human Rhinovirus Protease 3C (serotype 1A)
50011931	4	ChEMBL_104942 (CHEMBL713109)	Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane
50007970	1	ChEBML_91722	Compound was tested for the binding affinity against bacterial kynureninase
50007970	4	ChEMBL_91727 (CHEMBL702025)	Compound was tested for the binding affinity against kynureninase in rat liver
50011963	5	ChEMBL_161092 (CHEMBL771553)	Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C
50011963	3	ChEMBL_161088 (CHEMBL771549)	50% effective concentration required to inhibit Human Rhinovirus 1A Protease 3C
50011963	6	ChEMBL_161091 (CHEMBL771552)	50% effective concentration required to inhibit Human Rhinovirus 89 Protease 3C
50011963	1	ChEMBL_161086 (CHEMBL771547)	50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C
50011963	7	ChEMBL_161089 (CHEMBL771550)	50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C
50011963	2	ChEMBL_161087 (CHEMBL771548)	50% effective concentration required to inhibit Human Rhinovirus 16 Protease 3C
50012145	2	ChEMBL_104587 (CHEMBL715332)	In vitro binding affinity for the melanoma receptor was determined in the murine melanoma B16/F1 cell line
50012154	3	ChEMBL_49996 (CHEMBL661336)	Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells
50007979	2	ChEMBL_43864 (CHEMBL658524)	Inhibitory activity against Calpain I
50007984	8	ChEMBL_223078 (CHEMBL842926)	Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells
50007984	7	ChEMBL_223086 (CHEMBL841329)	Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H](-)-cytisine in whole rat brain membranes.
50007984	10	ChEMBL_223080 (CHEMBL842928)	Inhibition of cation efflux in human nAChR alpha4-beta2 expressing K177 cells
50007984	9	ChEMBL_223079 (CHEMBL842927)	Inhibitory concentration to antagonise cation efflux in nAChR subtype human alpha3betaX, expressed in IMR-32 cells
50007985	2	ChEBML_202168	Compound was tested for its ability to inhibit the uptake of Serotonin in Serotonin transporter system
50007985	1	ChEBML_61991	Compound was tested for its ability to inhibit the uptake of [3H]dopamine in DAT (dopamine transporter system) expressing cell line
50007985	3	ChEBML_143137	Compound was tested for its ability to inhibit the uptake of Norepinephrine in Norepinephrine transporter system
50012317	7	ChEMBL_223419 (CHEMBL844030)	Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)
50012317	21	ChEMBL_145611 (CHEMBL754331)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1-3.9)
50012317	20	ChEMBL_148242 (CHEMBL753401)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane
50012317	5	ChEMBL_148247 (CHEMBL753406)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (6.8-43)
50012317	8	ChEMBL_145609 (CHEMBL754329)	Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.35-2.5)
50012317	10	ChEMBL_148245 (CHEMBL753404)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (110-150)
50012317	22	ChEMBL_223420 (CHEMBL844031)	Ability to inhibit electrically evoked contractions of isolated muscle preparations of guinea pig ileum (GPI, mu receptor)
50012317	23	ChEMBL_145392 (CHEMBL752735)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane
50012317	24	ChEMBL_223417 (CHEMBL844029)	Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)
50012317	19	ChEMBL_145610 (CHEMBL754330)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.66-0.95)
50012317	18	ChEMBL_145612 (CHEMBL754332)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1.7-2.3)
50012317	25	ChEMBL_145614 (CHEMBL754333)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is in between (0.62-0.65)
50012317	15	ChEMBL_145613 (CHEMBL882190)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (63-360)
50012387	4	ChEMBL_104940 (CHEMBL714719)	Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain.
50012387	3	ChEMBL_104946 (CHEMBL713113)	Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.
50007990	8	ChEBML_58458	Binding affinity towards human cloned dopamine (hD2s) receptors expressed in CHO cell membranes using [3H]spiperone
50007990	3	ChEBML_58775	Binding affinity towards human cloned dopamine (hD3) receptor expressed in CHO cells using [3H]spiperone as radioligand
50007990	6	ChEBML_61180	Binding affinity towards human cloned Dopamine receptor D4.4 expressed in CHO cells using [3H]spiperone as radioligand
50007990	1	ChEMBL_58932 (CHEMBL671247)	Binding affinity towards human cloned dopamine (hD4.4) receptor expressed in CHO cells using [3H]spiperone as radioligand
50007990	9	ChEMBL_33423 (CHEMBL648819)	Binding affinity for Alpha-1 adrenergic receptor
50007992	1	ChEBML_52889	Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)
50007995	1	ChEBML_210386	Inhibitory activity against thermolysin using 2-furylacryloyl-Gly-Leu-NH2 as substrate at pH 7.2
50007997	6	ChEMBL_49748 (CHEMBL662080)	Inhibitory activity against human Chymotrypsinogen
50007997	5	ChEBML_45362	Inhibitory activity against human cathepsin G
50007997	1	ChEBML_47627	Inhibitory activity against Cathepsin B
50007997	4	ChEBML_209095	Inhibitory activity against thrombin
50007997	2	ChEBML_63973	Inhibitory activity against human leukocyte elastase
50012427	5	ChEMBL_223910 (CHEMBL844302)	Concentration required for 50% for in vitro activity against human SDH (sorbitol dehydrogenase)
50012427	1	ChEMBL_223911 (CHEMBL844303)	Concentration required for 50% in vitro activity against human SDH (sorbitol dehydrogenase)
50012427	6	ChEMBL_223914 (CHEMBL846060)	Concentration required for 50% in vitro activity against rat SDH (sorbitol dehydrogenase)
50012481	15	ChEMBL_104243 (CHEMBL712748)	Evaluated for binding affinity against human Melanocortin-4 receptor (hMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50012481	20	ChEMBL_106831 (CHEMBL717672)	Evaluated for binding affinity against human Melanocortin-3 receptor (hMC3R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50012481	7	ChEMBL_106850 (CHEMBL714837)	Functional activity as concentration at 50% maximum cAMP accumulation in rat Melanocortin-3 receptor (rMC3R)
50012481	21	ChEMBL_104242 (CHEMBL712747)	Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells
50012481	4	ChEMBL_104239 (CHEMBL712744)	Functional activity as concentration at 50% maximum cAMP accumulation in human Melanocortin-4 receptor
50012481	22	ChEMBL_104232 (CHEMBL872691)	Evaluated for binding affinity against rat Melanocortin-3 receptor (rMC3R) by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells
50008001	2	ChEBML_33815	Concentration required to inhibit the mutant alpha-Ala HCMV protease by 50% was determined
50008001	3	ChEBML_49922	Concentration required to inhibit the mammalian Chymotrypsinogen by 50% was determined
50008001	1	ChEBML_29403	Concentration required to inhibit the mammalian Acetylcholinesterase by 50% was determined
50012481	9	ChEMBL_100385 (CHEMBL708677)	Evaluated for Functional Activity at MC3R as effective concentration at 50% maximum CMP accumulation
50012481	3	ChEMBL_104238 (CHEMBL884503)	Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation
50012481	6	ChEMBL_100386 (CHEMBL708678)	Functional activity as concentration of the compound at 50% maximum cAMP accumulation in human melanocortin 1 (MC3R) receptor
50012481	23	ChEMBL_100382 (CHEMBL708674)	Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC1R) receptor
50012481	24	ChEMBL_104260 (CHEMBL711697)	Evaluated for binding affinity against rat Melanocortin-4 receptor (rMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50012481	19	ChEMBL_104267 (CHEMBL711704)	Functional activity as concentration at 50% maximum cAMP accumulation in rat Melanocortin-5 receptor (rMC5R)
50012481	11	ChEMBL_100392 (CHEMBL708684)	Evaluated for Functional Activity at MC5R as effective concentration at 50% maximum CMP accumulation
50012481	25	ChEMBL_100393 (CHEMBL708685)	Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC5R) receptor
50012494	19	ChEMBL_1577 (CHEMBL616989)	The binding affinity towards 5-hydroxytryptamine 1A receptor; No affinity
50012494	20	ChEMBL_38635 (CHEMBL652496)	The binding affinity towards the Beta-2 adrenergic receptor; No affinity
50012494	21	ChEMBL_33512 (CHEMBL648605)	The binding affinity towards the Alpha-2B adrenergic receptor; No affinity
50012584	14	ChEMBL_105374 (CHEMBL712453)	Affinity towards Matrix metalloprotease-9 (MMP-9)
50012584	15	ChEMBL_212755 (CHEMBL820597)	Inhibition of Tumor necrosis factor alpha secretion in LPS-stimulated human whole blood assay
50008007	3	ChEBML_205039	Inhibitory activity against Steroid 5-alpha-reductase type 2 as [3H]T to [3H]-DHT conversion human prostate nuclear membrane
50008007	1	ChEBML_204897	Inhibitory activity against Steroid 5-alpha-reductase type 1 enzyme based on the conversion of [3H]T to [3H]-DHT in nuclear membrane preparations from human scalp
50008007	2	ChEMBL_205061 (CHEMBL810255)	Inhibitory activity against Steroid 5-alpha-reductase type I enzyme based on the conversion of [3H]-T to [3H]DHT in nuclear membrane preparations from human scalp
50012584	16	ChEMBL_106781 (CHEMBL718388)	Affinity for Matrix metalloprotease-14 (MMP-14)
50012584	17	ChEMBL_104397 (CHEMBL715000)	Affinity for Matrix metalloprotease-2 (MMP-2)
50012584	18	ChEMBL_106129 (CHEMBL718677)	Affinity towards Matrix metalloprotease-1 (MMP-1)
50012584	19	ChEMBL_212586 (CHEMBL811888)	Inhibitory activity against porcine Tumor necrosis factor alpha converting enzyme.
50012584	9	ChEMBL_212588 (CHEMBL811890)	Affinity for Tumor necrosis factor alpha converting enzyme (TACE)
50012604	3	ChEMBL_158941 (CHEMBL767829)	The inhibitory activity against Prostaglandin G/H synthase 1 measured as TXB2 production after blood coagulation using human Whole blood assay
50012649	2	ChEMBL_195204 (CHEMBL798996)	HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP
50012719	5	ChEMBL_145191 (CHEMBL754436)	Binding affinity towards Opioid receptor delta 1 using [3H]DPDPE as radioligand
50012719	4	ChEMBL_145189 (CHEMBL754289)	Binding affinity against Opioid receptor delta 1 expressed on CHO cells
50012724	13	ChEMBL_90737 (CHEMBL701288)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mg+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble
50012724	7	ChEMBL_197264 (CHEMBL804180)	Effective concentration of the compound against viral replication by Reverse transcriptase
50012724	6	ChEMBL_90861 (CHEMBL699296)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postassembly
50012724	12	ChEMBL_90734 (CHEMBL878593)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in 3'' processing of postassembly
50012724	15	ChEMBL_90736 (CHEMBL701287)	Inhibitory activity against HIV-1 integrase (preincubated with Mg+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble
50012724	9	ChEMBL_90735 (CHEMBL701286)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mg+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postassembly
50012724	5	ChEMBL_90862 (CHEMBL699297)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mn+2, and DNA on ice for 15 min followed by drug for 1h) in strand transfer of postassembly
50012724	2	ChEMBL_90863 (CHEMBL699298)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mn+2, and drug for 30 min followed by DNA for 1h) in 3''-processing of preassemble
50008014	2	ChEMBL_48867 (CHEMBL661323)	Inhibitory concentration was determined by measuring phosphorylation of H1 histone using active human Cell division cycle 2-cyclin B complex
50008016	3	ChEMBL_36052 (CHEMBL645584)	Inhibition of human aromatase cytochrome P450 19A1 activity
50008016	1	ChEBML_36052	Inhibition of human aromatase cytochrome P450 19A1 activity
50012724	1	ChEMBL_90864 (CHEMBL699299)	Inhibitory activity against HIV-1 integrase (pre-incubated with Mn+2, and drug for 30 min followed by DNA for 1h) in strand transfer of preassemble
50008018	1	ChEBML_212014	Tested for inhibition of polymerization of tubulin
50008023	6	ChEBML_38912	Agonist activity against cloned human beta-3 adrenergic receptor
50008023	7	ChEMBL_37384 (CHEMBL652502)	Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]iodocyanopindolol as the radioligand.
50012724	3	ChEMBL_195518 (CHEMBL800586)	Inhibitory activity against RAdT of HIV-1 Reverse transcriptase
50012724	16	ChEMBL_195519 (CHEMBL800587)	Inhibitory activity against rCdG of HIV-1 Reverse transcriptase
50012724	11	ChEMBL_159620 (CHEMBL760101)	Inhibitory activity against viral protease
50012724	4	ChEMBL_159619 (CHEMBL760100)	Inhibitory activity against viral attachment
50008023	2	ChEMBL_37241 (CHEMBL651562)	Agonist activity against cloned human beta-1 adrenergic receptor as percent activation of adenyl cyclase activity at a concentration of 1000 nM
50008023	5	ChEMBL_37381 (CHEMBL649971)	Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor
50012778	11	ChEMBL_3274 (CHEMBL619075)	Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptor
50008023	4	ChEMBL_37382 (CHEMBL649972)	Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand
50008024	1	ChEBML_38911	Agonist activity towards human Beta-3 adrenergic receptor
50008024	3	ChEBML_37377	In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]iodocyanopindolol.
50012788	9	ChEMBL_123595 (CHEMBL734177)	Tested for in vitro antagonistic activity against Monoamine oxidase A
50012788	10	ChEMBL_105881 (CHEMBL717932)	Tested for in vitro antagonistic activity against Metabotropic glutamate receptor 1
50012788	8	ChEMBL_122776 (CHEMBL730885)	Tested for in vitro antagonistic activity against Monoamine oxidase
50012801	7	ChEMBL_124648 (CHEMBL731909)	Displacement of [gamma-33P]-ATP binding from active recombinant murine FLAG-Mitogen-activated protein kinase p38 beta fusion protein (GST-ATF2)
50012801	5	ChEMBL_212759 (CHEMBL818992)	Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA
50012801	6	ChEMBL_212758 (CHEMBL818991)	Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release in human whole blood
50008026	2	ChEBML_58297	Displacement of [3H]SCH-23390 from D1 receptor in rat striatum
50008026	5	ChEBML_58471	Displacement of [3H]spiroperidol from D2 receptor in rat striatum
50008026	1	ChEBML_842	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus
50012801	4	ChEMBL_212761 (CHEMBL818994)	Inhibition of LPS-induced p38-related Tumor necrosis factor alpha release by THP-1 cells
50012804	2	ChEMBL_160297 (CHEMBL769625)	Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine
50012810	3	ChEMBL_155375 (CHEMBL760828)	Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated
50012810	2	ChEMBL_155374 (CHEMBL760827)	Inhibition of PDE5
50012861	3	ChEMBL_90576 (CHEMBL701160)	Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase
50012861	2	ChEMBL_88773 (CHEMBL701805)	Potency of compound was tested against HIV-1- containing integrase mutations (T66I, S153Y)
50012861	4	ChEMBL_88772 (CHEMBL701804)	Potency of compound was tested against HIV-1- containing integrase mutations (NL4-3)
50012862	2	ChEMBL_155209 (CHEMBL762826)	Inhibition of Phosphodiesterase 5 from human platelets
50008028	2	ChEBML_86750	Antagonistic activity was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 2
50008028	1	ChEMBL_86749 (CHEMBL693559)	Antagonistic activity was evaluated against histamine H3 receptor using [3H]- N-alpha-methylhistamine as radioligand in experiment 1
50008029	1	ChEBML_157451	Compound was tested for inhibition of the enzyme human proline-4-hydroxylase
50008031	1	ChEBML_105964	In vitro inhibitory activity against collagenase-1 (MMP-1).
50008031	2	ChEBML_104711	In vitro inhibitory activity against stromelysin-3 (MMP-3)
50012889	3	ChEMBL_104172 (CHEMBL714209)	Concentration required to achieve 50% protection of MT-4 cell from the HIV-1 induced cytopathogenicity was determined by the MTT method
50008032	1	ChEBML_105966	Inhibition of matrix metalloprotease-1, Collagenase-1
50008032	3	ChEBML_104712	Inhibition of matrix metalloprotease-3, stromelysin-1
50008034	1	ChEBML_211813	Inhibition of trypanothione reductase from Trypanosoma cruzi, in the presence 57 uM of trypanothione T(SH)2
50008035	3	ChEMBL_159586 (CHEMBL763341)	Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.
50012889	2	ChEMBL_197424 (CHEMBL799813)	Activity of selected HIV-1 N-acylthiocarbamates in enzyme assay against Virion-Associated reverse transcriptase
50008035	4	ChEBML_159586	Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.
50008043	1	ChEBML_207960	Compound was evaluated for the inhibition of thrombin using the synthetic substrate chromozym TH
50008044	1	ChEBML_4072	Compound was evaluated for in vitro inhibition of recombinant human 5-lipoxygenase (5-LO)
50008047	3	ChEBML_49089	Compound was evaluated for inhibitory activity against cholesteryl ester transfer protein, reported from sponge
50008053	2	ChEBML_201945	In vitro inhibition of rat liver squalene epoxidase in HepG2 cells
50012895	6	ChEMBL_145281 (CHEMBL751217)	Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand
50012895	1	ChEMBL_146518 (CHEMBL882417)	Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U-69593 as radioligand
50012895	2	ChEMBL_145588 (CHEMBL749733)	Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1
50012895	7	ChEMBL_147150 (CHEMBL758175)	Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand
50008060	1	ChEBML_207781	Anti-synthetase activity against TXA2 synthase in human whole blood assay
50008064	3	ChEBML_1715	Binding affinity was evaluated at human recombinant 5-hydroxytryptamine 1D receptor using [3H]-5-CT as radioligand
50008064	4	ChEBML_923	Binding affinity was evaluated at human recombinant 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50008064	6	ChEMBL_1603 (CHEMBL616629)	The intrinsic activity was evaluated for its ability to inhibit forskolin-stimulated c-AMP formation mediated by cloned 5-hydroxytryptamine 1B receptor in CHO cell line; Full Agonist
50008066	4	ChEMBL_40216 (CHEMBL653062)	Capacity to inhibit [3H]-p CCK 8 binding to membrane preparations of CHO cells transfected with the rat CCK-B receptor
50008069	3	ChEBML_158077	Inhibitory activity against porcine pancreatic elastase(PPE)
50008069	6	ChEBML_216648	Inhibitory activity against alpha-chymotrypsin
50008069	5	ChEBML_47606	Inhibitory activity against Cathepsin B
50008069	4	ChEBML_63670	Inhibitory activity against human leukocyte elastase protease(HLE)
50008069	1	ChEBML_158971	Inhibitory activity against human cytomegalovirus (HCMV) protease
50008069	7	ChEBML_63670	Inhibitory activity against human leukocyte elastase protease(HLE)
50008070	2	ChEBML_104581	Inhibition of Matrix metalloprotease-3 (MMP-3)
50008070	3	ChEBML_105954	Inhibition of matrix metalloprotease-1 (MMP-1)
50008070	1	ChEBML_104363	Inhibition of Matrix metalloprotease-2 (MMP-2)
50008071	1	ChEBML_50045	Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type A receptor in rat pancreatic membranes
50008071	3	ChEMBL_47821 (CHEMBL662563)	Compound was evaluated for the inhibition of 124 I-CCK-8 binding at CCK-B receptor Cholecystokinin type B receptor cerebral cortical membranes
50008071	2	ChEBML_47822	Compound was evaluated for the inhibition of 124 I-CCK-8 binding at Cholecystokinin type B receptor on guinea pig cerebral cortical membranes
50012895	8	ChEMBL_147242 (CHEMBL755510)	Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1
50008079	6	ChEBML_60682	In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells by [3H]spiperone displacement.
50008079	2	ChEBML_60212	Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO cells
50008079	3	ChEBML_32916	In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor
50008079	5	ChEBML_62267	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells
50008079	4	ChEBML_2244	In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor
50008079	1	ChEBML_33456	In vivo binding affinity was evaluated against Alpha-1 adrenergic receptor
50013037	8	ChEMBL_106002 (CHEMBL716358)	In vitro effective concentration towards human Melanocortin 3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells
50013037	9	ChEMBL_105829 (CHEMBL716489)	In vitro effective concentration towards human Melanocortin 1 receptor (MC1R) in SPA-based cAMP assay in melanoma cells
50013037	3	ChEMBL_106003 (CHEMBL716359)	In vitro effective concentration towards human Melanocortin-3 receptor (MC3R) was determined by a SPA-based cAMP assay in melanoma cells
50013037	5	ChEMBL_105834 (CHEMBL716493)	In vitro inhibitory concentration of the compound against human Melanocortin 1 receptor (MC1R)
50013042	3	ChEMBL_64976 (CHEMBL675561)	Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP
50013042	5	ChEMBL_157581 (CHEMBL763331)	Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP
50013111	2	ChEMBL_147560 (CHEMBL751759)	Antagonistic activity against P2X7 receptor measured as the ATP dependent calcium influx in human monocytes
50008082	1	ChEBML_68750	Compound was tested for inhibitory potency against gamma-Glutamyl Hydrolase.
50008085	1	ChEBML_53344	Inhibitory concentration against Dipeptidyl peptidase IV (DPP IV)
50013117	5	ChEMBL_31933 (CHEMBL642975)	In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.
50008088	2	ChEBML_58686	Inhibition of [3H]- spiperone binding to rat brain Dopamine receptor D2
50008088	3	ChEBML_3160	Inhibition of [3H]GR-65630 binding to rat cortical membrane 5-hydroxytryptamine 3 receptor
50008091	1	ChEBML_218870	Compound was evaluated for agonistic activity against mGluR2 alpha metabotropic receptor subtype in rat cortical slice model
50008091	2	ChEBML_219020	Compound was evaluated for agonistic activity against mGluR4a alpha metabotropic receptor subtype in rat cortical slice model
50013117	6	ChEMBL_201011 (CHEMBL803972)	In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver
50013136	2	ChEMBL_160296 (CHEMBL769624)	Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha
50008092	3	ChEBML_219032	Concentration required to inhibit mGluR5a receptor
50008096	4	ChEBML_197826	Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-p-nitroanilide as substrate
50008096	6	ChEBML_197824	Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate
50008096	7	ChEBML_197820	Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate
50008096	1	ChEBML_197807	Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate
50008096	2	ChEBML_197825	Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate
50008096	5	ChEBML_197823	Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate
50013173	2	ChEMBL_41374 (CHEMBL653497)	Inhibition of human beta-secretase (BACE) in MBP-C125 assay
50008099	1	ChEBML_208901	Inhibitory activity against thrombin
50008101	1	ChEBML_197501	Compound was evaluated for its inhibitory activity against recombinant S-adenosyl L-Methionine synthetase (alpha-isoform) in rat liver
50008103	1	ChEBML_30791	Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)
50008103	2	ChEBML_30791	Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)
50013176	7	ChEMBL_105385 (CHEMBL710804)	In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)
50013176	1	ChEMBL_150189 (CHEMBL756138)	Ability to suppress the formation of TNF-aplha in human peripheral blood mononuclear cell assay(PBMC)
50013176	8	ChEMBL_104404 (CHEMBL715007)	In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)
50013176	9	ChEMBL_87189 (CHEMBL698101)	Ability to suppress the formation of TNF-aplha in human whole blood assay (WBA)
50008108	1	ChEBML_207952	Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.
50008108	3	ChEMBL_207952 (CHEMBL811068)	Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.
50008108	2	ChEBML_207952	Anti-thrombin activity by competitive enzyme assay using the fluorogenic substrate Tos-Gly-Pro-Arg-AMC at pH 8.3.
50008110	2	ChEBML_208332	Compound was evaluated for its inhibitory activity against human thrombin
50008110	1	ChEBML_212505	Compound was evaluated for its inhibitory activity against bovine trypsin
50008114	2	ChEBML_212738	Compound was evaluated for its inhibitory activity against trypsin
50008114	1	ChEBML_208333	Compound was evaluated for its inhibitory activity against human thrombin
50013176	4	ChEMBL_212590 (CHEMBL813237)	In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)
50008118	1	ChEBML_208345	Compound was evaluated to inhibit the thrombin enzyme
50008118	2	ChEBML_210683	Compound was evaluated to inhibit the trypsin enzyme
50008123	1	ChEBML_52890	Immunosuppressive effect in an isolated enzyme assay using partially purified Dihydroorotate dehydrogenase from human liver for inhibition of the formation of orotate from radiolabeled dihydroorotate
50008126	2	ChEBML_31842	Binding affinity for adenosine A3 receptor as inhibition of [125I]AB-MECA binding to human receptor expressed in HEK 293 cells
50008126	3	ChEBML_30924	Binding affinity for adenosine A2a receptor as inhibition of 3[H]-CGS 21680 binding in rat striatum
50008126	1	ChEBML_29300	Binding affinity for adenosine A1 receptor as inhibition of 3[H]-R-PIA binding in rat brain
50013186	2	ChEMBL_197282 (CHEMBL804269)	Inhibition of HIV-1 reverse transcriptase.
50013189	6	ChEMBL_220576 (CHEMBL874098)	In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparation
50013189	4	ChEMBL_220592 (CHEMBL841871)	In vitro binding affinity determined against imidazoline receptor I-2 using rabbit kidney preparation
50013254	17	ChEMBL_105882 (CHEMBL717933)	Antagonist activity of compound at Metabotropic glutamate receptor 1 alpha was determined
50013254	19	ChEMBL_105883 (CHEMBL877741)	Antagonist activity of compound at Metabotropic glutamate receptor 1 was determined
50013295	1	ChEMBL_143970 (CHEMBL752561)	Inhibition of sodium channels through tonic blockade
50013295	3	ChEMBL_143969 (CHEMBL752560)	Inhibition of sodium channels through phasic blockade
50013298	3	ChEMBL_226200 (CHEMBL843326)	Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure
50013298	1	ChEMBL_226201 (CHEMBL843327)	Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr
50013416	7	ChEMBL_214250 (CHEMBL820849)	Inhibition of Vascular endothelial growth factor receptor 3
50013530	4	ChEMBL_158739 (CHEMBL768746)	In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) in U-937 cells
50013530	2	ChEMBL_159893 (CHEMBL766721)	In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined
50013530	5	ChEMBL_159750 (CHEMBL762914)	In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) in 143982 cells
50013532	4	ChEMBL_105237 (CHEMBL712568)	Inhibition of human Matrix metalloprotease-9 (MMP-9)
50013535	10	ChEMBL_105239 (CHEMBL712570)	Inhibition of human matrix metalloprotease-9 (MMP-9)
50013535	11	ChEMBL_106775 (CHEMBL717146)	Inhibition of Matrix metalloprotease-14
50008138	1	ChEBML_141771	Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells
50008139	1	ChEBML_141772	Displacement of [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells
50013576	2	ChEMBL_35511 (CHEMBL644744)	Inhibitory concentration of compound towards cell surface aminopeptidase N (APN/CD13)
50013578	6	ChEMBL_3595 (CHEMBL618080)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand
50013578	1	ChEMBL_3584 (CHEMBL620717)	Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand
50013578	7	ChEMBL_2646 (CHEMBL618895)	Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand
50013578	8	ChEMBL_2829 (CHEMBL621515)	Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand
50013730	10	ChEMBL_158958 (CHEMBL764418)	Inhibition of human cytomegalovirus protease in HCMV pNA assay.
50013730	5	ChEMBL_158964 (CHEMBL769610)	Potency against human cytomegalovirus protease in HCMV pNA assay
50013730	11	ChEMBL_158953 (CHEMBL767338)	Potency against human cytomegalovirus protease in HCMV pNA assay
50008143	1	ChEBML_48992	Binding affinity was evaluated against Coagulation factor X
50008144	1	ChEBML_91004	Inhibitory activity against IL-1 beta converting enzyme was evaluated.
50013737	13	ChEMBL_155186 (CHEMBL761833)	In vitro inhibitory activity against bovine phosphodiesterase 5
50013737	11	ChEMBL_157044 (CHEMBL765687)	Inhibition of human recombinant PDE4 (Phosphodiesterase 4)
50013737	10	ChEMBL_155381 (CHEMBL760834)	Inhibition of bovine retina PDE6 (Phosphodiesterase 6)
50008148	2	ChEMBL_76263 (CHEMBL690673)	Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)
50013737	9	ChEMBL_157041 (CHEMBL765684)	Inhibition of Human recombinant PDE4 (Phosphodiesterase 4)
50013737	12	ChEMBL_156011 (CHEMBL765422)	Inhibition of bovine aorta PDE1 (Phosphodiesterase 1)
50013815	6	ChEMBL_106358 (CHEMBL714438)	Binding affinity against Melanocortin 4 receptor by gamma-MCH displacement.
50013815	4	ChEMBL_106523 (CHEMBL713027)	Intracellular cAMP accumulation in human Melanocortin 5 receptor functional assay.
50013815	7	ChEMBL_106324 (CHEMBL709895)	Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.
50013815	8	ChEMBL_106655 (CHEMBL713000)	Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.
50013815	1	ChEMBL_106018 (CHEMBL718190)	Binding affinity against human Melanocortin 3 receptor by gamma-MCH displacement.
50013815	9	ChEMBL_106004 (CHEMBL716360)	Intracellular cAMP accumulation in human Melanocortin 3 receptor functional assay.
50008154	3	ChEBML_207647	In vitro thromboxane receptor antagonism was determined using a human platelet binding assay
50008154	2	ChEMBL_210291 (CHEMBL808537)	In vitro inhibition of thromboxane synthase (TSI) activity was determined by using human serum levels of TXB2
50008154	5	ChEMBL_207647 (CHEMBL811629)	In vitro thromboxane receptor antagonism was determined using a human platelet binding assay
50013920	5	ChEMBL_45639 (CHEMBL655449)	In vitro inhibition of purified Carboxypeptidase B (CPB) by clot lysis assay in human plasma
50013920	6	ChEMBL_45620 (CHEMBL655431)	In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma
50013920	7	ChEMBL_45790 (CHEMBL660086)	In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma
50013928	18	ChEMBL_50349 (CHEMBL665971)	Inhibition of Cyclin-dependent kinase 1-cyclin B
50013928	19	ChEMBL_213978 (CHEMBL817492)	In vitro inhibitory concentration against human vascular endothelial growth factor receptor 2
50013928	20	ChEMBL_213947 (CHEMBL811925)	Inhibition of Vascular endothelial growth factor receptor 3
50013928	21	ChEMBL_198170 (CHEMBL799022)	Inhibition of Serine/threonine-protein kinase Chk1
50013928	17	ChEMBL_162381 (CHEMBL767469)	Inhibition of rat brain Protein kinase C
50013928	22	ChEMBL_215892 (CHEMBL820824)	Inhibition of beta-insulin receptor kinase
50013938	8	ChEMBL_158598 (CHEMBL769640)	Compound was tested for in vitro inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1) by enzyme Assay
50013938	1	ChEMBL_158600 (CHEMBL769642)	Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood
50013938	12	ChEMBL_158601 (CHEMBL766823)	Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1)
50013938	13	ChEMBL_159733 (CHEMBL766190)	Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2)
50013938	5	ChEMBL_158597 (CHEMBL769639)	Compound was tested for in vitro Prostaglandin G/H synthase 1 (COX-1) idetermined in human whole blood by human whole blood assay
50013938	7	ChEMBL_159568 (CHEMBL765855)	Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood
50013938	9	ChEMBL_159732 (CHEMBL766189)	Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood
50013938	11	ChEMBL_159255 (CHEMBL764082)	Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1)
50014012	2	ChEMBL_196363 (CHEMBL805996)	Inhibitory activity against HIV-reverse transcriptase (HIV-RT)
50014140	10	ChEMBL_106780 (CHEMBL718387)	Inhibition of Matrix metalloprotease-14
50014140	11	ChEMBL_105371 (CHEMBL712905)	Inhibition of Matrix metalloprotease-9
50014140	8	ChEMBL_105372 (CHEMBL714544)	Inhibition of Matrix metalloprotease-9
50014145	7	ChEMBL_41584 (CHEMBL654878)	Inhibitory concentration against butyrylcholinesterase.
50014145	8	ChEMBL_29411 (CHEMBL643384)	Inhibitory concentration against acetylcholinesterase
50014163	2	ChEMBL_155353 (CHEMBL762498)	Inhibitory activity against human Phosphodiesterase 5
50014173	4	ChEMBL_105995 (CHEMBL716352)	Agonistic potency towards human Melanocortin 3 receptor (MC3R) was determined by 50% maximum cAMP release
50014173	7	ChEMBL_106357 (CHEMBL714437)	Binding affinity towards human melanocortin 4 receptor using [125I]NDP-alpha-MSH as a radioligand in HEK293 cells
50014173	1	ChEMBL_106179 (CHEMBL714598)	Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release
50014173	8	ChEMBL_106016 (CHEMBL718188)	Binding affinity towards human Melanocortin 3 receptor (MC3R) using [125I]NDP-alpha-MSH as a radioligand in membranes of HEK 293 cells
50014319	5	ChEMBL_103770 (CHEMBL714116)	Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line
50014319	7	ChEMBL_103773 (CHEMBL714753)	Effective concentration to inhibit MRP1 in potentiation assay
50014319	6	ChEMBL_103774 (CHEMBL714754)	Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay
50014320	6	ChEMBL_103769 (CHEMBL714115)	In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay
50014320	1	ChEMBL_103771 (CHEMBL714751)	Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay
50014320	7	ChEMBL_148007 (CHEMBL754165)	In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay
50014320	5	ChEMBL_148009 (CHEMBL751606)	Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay
50008167	1	ChEBML_86899	In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]histamine from synaptosomes of rat cerebral cortex
50014475	5	ChEMBL_145473 (CHEMBL751260)	Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells
50014511	6	ChEMBL_105384 (CHEMBL710803)	Inhibition of human recombinant matrix metalloprotease 9
50014511	7	ChEMBL_63601 (CHEMBL675248)	Inhibition of heparin-binding HB-EGF shedding
50014511	5	ChEMBL_212581 (CHEMBL811883)	Inhibition of human tumor necrosis factor alpha converting enzyme
50014591	3	ChEMBL_159601 (CHEMBL760083)	Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood
50014591	4	ChEMBL_158590 (CHEMBL769632)	Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 1 in human blood
50014668	2	ChEMBL_143475 (CHEMBL751815)	Dissociation constant for HCV NS3 protease substrate binding site
50014668	4	ChEMBL_143477 (CHEMBL751817)	Inhibition constant for HCV NS3 protease substrate binding site
50014668	3	ChEMBL_143480 (CHEMBL751820)	Inhibition constant for HCV NS3 protease substrate binding site
50008172	1	ChEBML_209937	Inhibitory activity against Thromboxane A2 synthase from human platelet microsomes.
50008173	1	ChEBML_51121	Displacement of [125I]0-CRF from human Corticotropin releasing factor receptor 1 expressed in CHO cells
50008174	1	ChEBML_161585	Inhibition of human recombinant farnesyltransferase
50008175	1	ChEBML_101941	Inhibition of matrix metalloprotease-3 (MMP-3)
50008175	2	ChEBML_101901	Inhibition of matrix metalloprotease-1 (MMP-1)
50008176	1	ChEBML_102103	Inhibition of fibroblast matrilysin (MMP-7)
50008176	3	ChEBML_101734	Inhibition of fibroblast collagenase (MMP-1)
50008176	4	ChEBML_101906	Inhibition of fibroblast gelatinase A (MMP-2)
50008176	2	ChEBML_101938	Inhibition of fibroblast stromelysin (MMP-3)
50008179	4	ChEBML_38801	Evaluated for its agonist activity against human Beta-3 adrenergic receptor
50008179	1	ChEBML_37378	Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell
50008179	2	ChEMBL_38798 (CHEMBL652339)	Evaluated for Adenylyl cyclase activation as % of the maximal stimulation with isoproterenol at 100 nM
50014672	3	ChEMBL_90551 (CHEMBL701901)	Inhibition of HIV-1 integrase catalytic activity
50014672	4	ChEMBL_90550 (CHEMBL701900)	Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing
50008180	1	ChEBML_64359	Inhibition of human recombinant Endothelin-converting enzyme 1.
50014672	1	ChEMBL_223567 (CHEMBL844406)	Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing
50008186	1	ChEMBL_162442 (CHEMBL770345)	Compound was evaluated for the binding affinity against protein-tyrosine phosphatase 1B (PTP1B)
50008186	2	ChEBML_162442	Compound was evaluated for the binding affinity against protein-tyrosine phosphatase 1B (PTP1B)
50014812	7	ChEMBL_145472 (CHEMBL751259)	Binding affinity against human opioid receptor delta 1 transfected on CHO cells was determined using [3H]Cl-DPDPE
50014812	4	ChEMBL_144653 (CHEMBL752667)	Concentration required for stimulation of [35S]GTP-gamma-S, binding to human Nociceptin receptor in cell membranes
50014812	8	ChEMBL_148097 (CHEMBL751579)	Binding affinity against human Opioid receptor mu 1 on CHO cell membranes was determined by [3H]DAMGO displacement.
50014812	9	ChEMBL_144654 (CHEMBL752668)	Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.
50014812	10	ChEMBL_145241 (CHEMBL755692)	Binding affinity against human Opioid receptor kappa 1 on CHO cell membranes by [3H]U-69593 displacement.
50014828	4	ChEMBL_69696 (CHEMBL682031)	Inhibition of falcipain2 from Plasmodium falciparum
50014831	7	ChEMBL_145307 (CHEMBL752842)	Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human opioid receptor delta 1 expressed in CHO cells
50014832	3	ChEMBL_160139 (CHEMBL768985)	Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protein kinase C alpha with phosphatidylserine
50014832	2	ChEMBL_160137 (CHEMBL768823)	Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protein kinase C alpha with phosphatidylserine
50008195	1	ChEBML_52886	Immunosuppressive activity expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)
50008197	2	ChEBML_46289	Binding affinity for the Cannabinoid receptor using [3H]CP-55940 as radioligand
50008197	1	ChEMBL_46289 (CHEMBL657997)	Binding affinity for the Cannabinoid receptor using [3H]CP-55940 as radioligand
50008199	1	ChEBML_212510	Compound was tested for inhibitory activity against bovine trypsin
50008199	3	ChEBML_208351	Compound was tested for inhibitory activity against human thrombin
50008199	2	ChEBML_48802	Compound was tested for inhibitory activity against human Coagulation factor X
50008200	2	ChEBML_64012	Binding affinity to Endothelin B receptor
50008200	1	ChEBML_65820	Binding affinity to Endothelin A receptor
50008201	2	ChEBML_65649	Compound was tested for the binding affinity against Endothelin A receptor
50008201	1	ChEBML_63847	Compound was tested for the binding affinity against Endothelin B receptor
50008202	1	ChEBML_66285	Binding affinity for FK506 binding protein 12 using [3H]-dihydro FK-506 radioligand was determined
50014832	4	ChEMBL_160138 (CHEMBL768824)	Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from a recombinant protein kinase C alpha with phosphatidylserine
50008206	1	ChEBML_201297	Binding affinity for [3H]- pentazocine at sigma opioid receptor
50014888	2	ChEMBL_196374 (CHEMBL873105)	Inhibitory concentration against wild type HIV-1 reverse transcriptase (RT) using poly rC.dG as the template or primer
50014888	3	ChEMBL_196375 (CHEMBL802547)	Inhibitory concentration against wild type HIV-1/138Lys reverse transcriptase (RT) using [3H]dGTP as a radioligand
50008210	1	ChEBML_222749	Inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI)
50008210	4	ChEMBL_222750 (CHEMBL846956)	Compound was tested for percentage inhibition of phosphomannose isomerase enzyme of Candida albicans (CaPMI).
50008210	3	ChEBML_219956	Compound was tested for inhibition of human phosphomannose isomerase (PMI)
50008211	1	ChEMBL_141122 (CHEMBL745317)	Compound was tested for binding affinity against N-His (D381E) Interleukin -1 beta converting enzyme
50014976	5	ChEMBL_304593 (CHEMBL828483)	Inhibition of I-kappa-B-kinase alpha
50014976	6	ChEMBL_305769 (CHEMBL827106)	Inhibitory activity against recombinant human I-kappa-B-kinase beta 
50014977	6	ChEMBL_304594 (CHEMBL828484)	Inhibition of I-kappa-B-kinase alpha
50015002	3	ChEMBL_158756 (CHEMBL772918)	Inhibition concentration against cyclooxygenase-1 (COX-1) in human whole blood
50008213	2	ChEBML_208893	Compound was evaluated for its binding affinity to the thrombin
50008213	4	ChEBML_213071	Compound was evaluated for its binding affinity to the trypsin enzyme
50015019	4	ChEMBL_305746 (CHEMBL829418)	Inhibitory concentration against HCV NS5B RNA dependent RNA polymerase
50015019	5	ChEMBL_305669 (CHEMBL827938)	Inhibitory concentration against calf thymus alpha polymerase
50015034	8	ChEMBL_306262 (CHEMBL828395)	In vitro inhibitory concentration against human protein kinase C alpha (PKCa) by using [gamma-33P]-ATP] as radioligand
50015034	9	ChEMBL_306066 (CHEMBL833021)	In vitro inhibitory concentration against checkpoint kinase 1 (Chk1) by using [gamma-33P]-ATP] as radioligand
50015036	2	ChEMBL_302912 (CHEMBL830372)	Inhibitory potency against HCV NS3 protease
50015054	7	ChEMBL_302492 (CHEMBL827182)	Binding affinity for human melanocortin 3 receptor
50015054	6	ChEMBL_302493 (CHEMBL828210)	Binding affinity for human melanocortin 4 receptor
50015054	4	ChEMBL_303300 (CHEMBL827433)	Inhibition of [125I]NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK293 cells
50015054	8	ChEMBL_304211 (CHEMBL829751)	Agonistic activity for human Melanocortin 4 receptor as stimulated cAMP release
50015054	9	ChEMBL_305192 (CHEMBL832780)	Inhibition of human Melanocortin 5 receptor
50015106	5	ChEMBL_302996 (CHEMBL830235)	Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH
50015106	6	ChEMBL_302997 (CHEMBL830236)	Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH
50008217	1	ChEBML_141328	Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cells
50008219	1	ChEBML_159306	Compound was tested for 50% irreversible inhibition of HIV-1 protease; value ranges from 10-50
50015108	7	ChEMBL_306358 (CHEMBL828235)	Inhibition of human Phosphodiesterase 5 purified from MCF-7 cells
50008226	1	ChEBML_216950	Dissociation constant was evaluated by competitive inhibition of alpha-thrombin using the method of Dixon enzyme assay.
50008227	8	ChEBML_32895	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in COS-7 cells
50008227	2	ChEBML_33019	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1d adrenergic receptor stably expressed in COS-7 cells
50008227	11	ChEMBL_32878 (CHEMBL648631)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in Chinese Hamster Ovary (CHO) cells
50008227	3	ChEMBL_32882 (CHEMBL873066)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in Chinese Hamster Ovary (CHO) cells
50008227	12	ChEMBL_32897 (CHEMBL648800)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in LM cells
50015108	6	ChEMBL_306327 (CHEMBL828671)	Inhibition of human Phosphodiesterase 1 purified from THP-1 cells
50008227	19	ChEMBL_216129 (CHEMBL816949)	Binding affinity towards alpha-1-Adrenergic receptor from rat frontal cortex using 8-OH-DPAT as radioligand
50008227	4	ChEMBL_32881 (CHEMBL648785)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in COS-7 cells
50008227	5	ChEMBL_32883 (CHEMBL648786)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in HEK cells
50008227	17	ChEMBL_33019 (CHEMBL643944)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1d adrenergic receptor stably expressed in COS-7 cells
50008227	18	ChEBML_1142	Binding affinity towards 5-hydroxytryptamine 1A receptor using 0.1 nM [3H]-8-OH-DPAT (8-hydroxy-2-(di-n-propylamino)tet-ralin), from rat hippocampal homogenate
50008227	1	ChEBML_32888	Compound was evaluated for its affinity for alpha 1a receptor in human prostate tissue preparations
50008227	14	ChEMBL_32895 (CHEMBL648798)	Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1b adrenergic receptor stably expressed in COS-7 cells
50008229	1	ChEBML_154319	Compound was evaluated for inhibitory activity against Peptide deformylase
50008231	2	ChEBML_221490	Inhibition of p56 Lck tyrosine kinase
50008231	3	ChEBML_200375	Inhibition of Src tyrosine kinase
50015110	13	ChEMBL_305676 (CHEMBL827094)	In vitro inhibition of human Phosphodiesterase 5
50008233	1	ChEBML_212709	In vitro inhibitory activity was evaluated against human trypsin cleavage of the chromogenic substrate
50008233	2	ChEBML_225587	In vitro inhibitory activity was evaluated against thrombin factor Xa (FXa)
50008233	4	ChEBML_155070	In vitro inhibitory activity was evaluated against thrombolytic enzyme plasmin
50008233	3	ChEMBL_225586 (CHEMBL847602)	In vitro inhibitory activity was evaluated against thrombin (FIIa)
50008233	5	ChEBML_209235	In vitro inhibitory activity was evaluated against thrombin (FIIa)
50008236	3	ChEMBL_68477 (CHEMBL682226)	In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]farnesyl from farnesyl pyrophosphate to H-Ras-CLVS.
50008236	1	ChEBML_43647	In vitro inhibition of Ras processing in COS cells
50015110	11	ChEMBL_306523 (CHEMBL827274)	In vitro inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells
50008240	1	ChEBML_212376	Binding affinity towards bovine trypsin was evaluated in vitro
50008240	2	ChEBML_208312	Binding affinity towards human thrombin
50008241	3	ChEMBL_144508 (CHEMBL754813)	Compound was tested for inhibitory activity against neuronal nitric oxide synthase
50008241	2	ChEMBL_144508 (CHEMBL754813)	Compound was tested for inhibitory activity against neuronal nitric oxide synthase
50008241	1	ChEBML_144511	Compound was tested for inhibitory activity against inducible nitric oxide synthase
50015110	7	ChEMBL_305436 (CHEMBL830112)	Inhibition of human Phosphodiesterase 5
50015110	12	ChEMBL_306378 (CHEMBL828719)	Inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells
50015111	7	ChEMBL_306307 (CHEMBL827700)	Inhibition of human PDE1 partially purified from THP-1 cells
50015111	9	ChEMBL_306309 (CHEMBL827702)	Inhibition of human PDE5 partially purified from MCF-7 cells
50015111	8	ChEMBL_306308 (CHEMBL827701)	Inhibition of human PDE1 expressed in baculovirus infected Sf9 cells
50015115	3	ChEMBL_305517 (CHEMBL827655)	Binding affinity for Prostaglandin G/H synthase 1 (COX-1)
50015122	10	ChEMBL_304912 (CHEMBL827805)	Inhibitory concentration against aggrecanase
50015122	11	ChEMBL_305044 (CHEMBL831682)	Inhibition of matrix metalloprotease 9
50015122	12	ChEMBL_305041 (CHEMBL831679)	Inhibitory concentration against matrix metalloprotease 1
50015122	13	ChEMBL_305095 (CHEMBL832399)	Inhibition of matrix metalloprotease 14
50015165	7	ChEMBL_306357 (CHEMBL828234)	Inhibition of 50 uM L-Arg-beta-naphthalamide binding to human cathepsin H in fluorescence assay
50015173	6	ChEMBL_302310 (CHEMBL828900)	Inhibitory activity against matrix metalloprotease-9
50015182	11	ChEMBL_302312 (CHEMBL828901)	Binding affinity towards human thrombin
50015182	10	ChEMBL_302299 (CHEMBL827060)	Binding affinity towards human trypsin
50015182	12	ChEMBL_302906 (CHEMBL830367)	Inhibition of HCV NS3 protease in the pNA based inhibition assay
50015182	13	ChEMBL_302336 (CHEMBL828921)	Binding affinity towards human cathepsin L
50015182	14	ChEMBL_302335 (CHEMBL828920)	Binding affinity towards human cathepsin B
50015188	5	ChEMBL_306001 (CHEMBL874550)	Inhibitory concentration required against human GLP1 receptor expressed in CHO cell membrane homogenates
50008250	2	ChEBML_43648	Compound was tested for inhibitory activity against recombinant human Calpain 1
50008250	1	ChEBML_47604	Compound was tested for inhibitory activity against Cathepsin B.
50015188	4	ChEMBL_304159 (CHEMBL829998)	Effective concentration against human GLP1 receptor expressed in CHO cells
50015188	1	ChEMBL_306482 (CHEMBL829559)	Inhibitory concentration against human GLP1 receptor expressed in CHO cell membrane homogenates with 1%DMSO
50015188	2	ChEMBL_304246 (CHEMBL828878)	Effective concentration against human GLP1 receptor expressed in CHO cells with 1%DMSO
50015192	1	ChEMBL_310468 (CHEMBL834412)	Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor
50015192	9	ChEMBL_303253 (CHEMBL826379)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor
50015192	10	ChEMBL_303254 (CHEMBL826380)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor
50015192	5	ChEMBL_303688 (CHEMBL829733)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor at 10 uM
50008255	3	ChEBML_60225	Affinity towards human Dopamine receptor D2 expressed in CHO cells using [3H]spiperone
50008255	6	ChEBML_61186	Affinity towards human Dopamine receptor D4.4 expressed in CHO cells using [3H]spiperone
50015192	8	ChEMBL_310498 (CHEMBL833237)	Effective concentration for cAMP release in HEK293 cells expressing human melanocortin-4 receptor
50008255	2	ChEBML_62277	Affinity towards human Dopamine receptor D3 expressed in CHO cells using [3H]spiperone
50008255	8	ChEMBL_62082 (CHEMBL672454)	Affinity for Dopamine receptor D2 in rat striatal membranes for high agonist state using [3H]quinpirole
50015198	7	ChEMBL_305667 (CHEMBL827936)	Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)
50015198	8	ChEMBL_302676 (CHEMBL839439)	Inhibition of Matrix metalloprotease-9 (MMP-9)
50008258	3	ChEBML_148191	Inhibitory potency evaluated against rat p38 kinase
50008258	6	ChEBML_124652	Inhibition of Mitogen-activated protein kinase p38 beta
50008258	10	ChEMBL_216827 (CHEMBL816406)	Inhibition of c-Jun N-terminal kinase 2-beta 1
50008258	7	ChEBML_216687	Inhibition of c-Jun N-terminal kinase 1-alpha 1
50008258	2	ChEBML_124504	Inhibition of Mitogen-activated protein kinase p38 alpha
50008258	1	ChEBML_163340	Inhibition of RAF kinase
50008258	5	ChEMBL_216828 (CHEMBL816407)	Inhibition of c-Jun N-terminal kinase 2-beta 2
50008261	3	ChEBML_69663	Compound was tested for inhibition of blood coagulation protein factor Xa
50008261	2	ChEBML_210654	Compound was tested for inhibition of trypsin.
50008261	6	ChEBML_208718	Compound was tested for inhibition of thrombin.
50008261	1	ChEMBL_210653 (CHEMBL811615)	Compound was tested for inhibition of trypsin
50008261	5	ChEMBL_69663 (CHEMBL681855)	Compound was tested for inhibition of blood coagulation protein factor Xa
50008261	4	ChEMBL_208717 (CHEMBL808498)	Compound was tested for inhibition of thrombin
50008263	2	ChEBML_62276	Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]thymidine uptake
50008263	8	ChEBML_59155	Compound was evaluated for binding affinity against Dopamine receptor D2 subtype from primate
50008263	3	ChEBML_60496	Compound was evaluated for binding affinity against Dopamine receptor D1 transfected in CHO cell membranes
50008263	6	ChEBML_61333	Compound was evaluated for binding affinity against human Dopamine receptor D5 transfected in CHO cell membranes
50008263	1	ChEMBL_60688 (CHEMBL675854)	Compound was evaluated for binding affinity against human Dopamine receptor D4 transfected in CHO cell membranes
50008263	5	ChEBML_58930	Affinity against D4 receptor was evaluated
50015215	3	ChEMBL_306196 (CHEMBL830990)	In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole blood assay
50015234	2	ChEMBL_306255 (CHEMBL828388)	inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virus
50015246	10	ChEMBL_305437 (CHEMBL830113)	Inhibition of Fibroblast activation protein alpha (seprase)
50015256	3	ChEMBL_302175 (CHEMBL830078)	Displacement of [3H]glibenclamide from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)
50015256	1	ChEMBL_306731 (CHEMBL832318)	In vitro displacement of [3H]glibenclamide (IC50=0.61) from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)
50015275	2	ChEMBL_306225 (CHEMBL831133)	Inhibitory concentration for NS5B RNA-dependent RNA polymerase of Hepatitis C virus
50015292	3	ChEMBL_305401 (CHEMBL833051)	Inhibition of human cyclooxygenase-1 expressed in COS cells
50015292	4	ChEMBL_305402 (CHEMBL833052)	Inhibition of human cyclooxygenase-2 expressed in COS cells
50015296	7	ChEMBL_310387 (CHEMBL834471)	Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes
50015296	8	ChEMBL_302750 (CHEMBL852357)	Binding affinity for Mu opioid receptor of rat brain
50015296	9	ChEMBL_310403 (CHEMBL833181)	Inhibition of delta opioid receptor mediated GTPgammaS binding to CHO cell membranes
50015296	10	ChEMBL_302811 (CHEMBL839501)	Binding affinity for delta opioid receptor of rat brain
50015297	7	ChEMBL_306448 (CHEMBL829092)	Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli
50015320	2	ChEMBL_305788 (CHEMBL827976)	Inhibitory concentration against HIV-1 integrase mediated strand transfer reaction
50015320	3	ChEMBL_305758 (CHEMBL829529)	Inhibitory concentration against HIV-1 integrase mediated 3' processing reaction
50008269	2	ChEBML_46655	Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrate
50008269	1	ChEBML_46514	Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate
50015322	7	ChEMBL_306662 (CHEMBL831435)	Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B in the presence of Mg2+ is determined
50015322	4	ChEMBL_306663 (CHEMBL831436)	Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B in the presence of Mn2+ is determined
50015322	3	ChEMBL_306254 (CHEMBL828387)	Inhibitory concentration required to inhibit HCV RNA dependent RNA polymerase Nonstructural protein 5B is determined
50015322	8	ChEMBL_304786 (CHEMBL827785)	Inhibitory concentration required to inhibit HIV-RT is determined
50015322	9	ChEMBL_304962 (CHEMBL827840)	Inhibitory concentration required to inhibit HIV-integrase is determined
50008274	1	ChEBML_199838	Inhibitory concentration against Selectin E expressed at the inflammatory lesion was measured by inhibition of leukocyte rolling in the inflammatory model using IL-lbeta activated rat mesentery venules. (In vivo )
50015343	2	ChEMBL_306401 (CHEMBL828742)	Concentration required to inhibit strand transfer of HIV-1 integrase using Mn2+ as a divalent cation source.
50015354	1	ChEMBL_306533 (CHEMBL827822)	Inhibition of human vanilloid receptor 1 in HEK293 cells in pH 5.5-induced FLIPR assay
50015354	3	ChEMBL_306587 (CHEMBL832934)	Inhibition of human vanilloid receptor 1 in HEK293 cells in capsaicin-induced FLIPR assay
50008280	2	ChEMBL_154721 (CHEMBL764823)	Inhibition of PDGF-beta receptor binding to p85 SH2-domain
50008285	8	ChEMBL_104629 (CHEMBL715576)	Antagonistic activity against metabotropic glutamate receptor 2 (mGluR2) was evaluated
50008285	5	ChEBML_104637	Antagonistic activity against metabotropic glutamate receptor 8 (mGluR8) was evaluated
50008285	7	ChEBML_104636	Antagonistic activity against metabotropic glutamate receptor 7 (mGluR7) was evaluated
50008285	4	ChEBML_104633	Antagonistic activity against metabotropic glutamate receptor 4 (mGluR4) was evaluated
50008285	3	ChEBML_104631	Antagonistic activity against metabotropic glutamate receptor 3 (mGluR3) was evaluated
50008285	2	ChEBML_104635	Antagonistic activity against metabotropic glutamate receptor 5 (mGluR5) was evaluated
50008288	1	ChEBML_72488	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to phospho-EGFR by ELISA
50015365	3	ChEMBL_305350 (CHEMBL832730)	Concentration required for inhibition of HIV-1 integrase mediated 3'-end processing
50015365	2	ChEMBL_305249 (CHEMBL833506)	Concentration required for inhibition of HIV-1 integrase mediated strand transfer
50008293	7	ChEBML_155178	Evaluated for its ability to inhibit PDE4D.
50008293	3	ChEBML_155032	Evaluated for its ability to inhibit PDE4A.
50008293	2	ChEBML_155172	Evaluated for its ability to inhibit PDE4B.
50015378	5	ChEMBL_302679 (CHEMBL839442)	Binding affinity for human Delta opioid receptor
50008293	1	ChEMBL_155031 (CHEMBL765473)	Inhibition of PDE4A
50015381	2	ChEMBL_308632 (CHEMBL834885)	Equilibrium constant for P2X purinoceptor 7 expressed in HEK 293 cells at 1 uM
50015381	3	ChEMBL_302136 (CHEMBL841760)	Maximum binding affinity towards P2X purinoceptor 7 expressed in HEK 293 cells
50015424	6	ChEMBL_306725 (CHEMBL831488)	Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor
50015424	7	ChEMBL_304141 (CHEMBL840257)	Agonistic activity against mouse Melanocortin 1 Receptor
50015435	3	ChEMBL_303269 (CHEMBL828263)	Binding affinity towards Beta-secretase determined using continuum electrostatics solvation
50015449	8	ChEMBL_306528 (CHEMBL827279)	Inhibitory concentration against human glutathione reductase in the presence of 200 uM exogenous NADP
50015449	4	ChEMBL_303331 (CHEMBL877448)	Inhibitory concentration against human glutathione reductase (In presence of NADPH)
50015449	5	ChEMBL_306715 (CHEMBL832300)	Inhibitory concentration against human glutathione reductase in the absence of glucose-6-phosphate dehydrogenase (G6PDH)
50015449	6	ChEMBL_302633 (CHEMBL839924)	Inhibitory concentration against human glutathione reductase
50015449	10	ChEMBL_306283 (CHEMBL828426)	Inhibitory concentration against Plasmodium falciparum glutathione reductase
50015449	2	ChEMBL_305429 (CHEMBL830922)	Inhibitory concentration against human glutathione reductase
50015462	7	ChEMBL_310530 (CHEMBL833519)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-2 adrenergic receptor
50015462	1	ChEMBL_303401 (CHEMBL839158)	Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-2 adrenergic receptor
50015462	8	ChEMBL_310532 (CHEMBL834427)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor
50015462	6	ChEMBL_303399 (CHEMBL840062)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptor
50015462	9	ChEMBL_310528 (CHEMBL833517)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-1 adrenergic receptor
50015463	7	ChEMBL_310529 (CHEMBL833518)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-1 adrenergic receptor
50015463	3	ChEMBL_310531 (CHEMBL834426)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-2 adrenergic receptor
50015463	4	ChEMBL_310533 (CHEMBL834428)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor
50015463	8	ChEMBL_303402 (CHEMBL839159)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor
50015463	2	ChEMBL_303400 (CHEMBL840063)	Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor
50015463	9	ChEMBL_303404 (CHEMBL839161)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor
50015479	3	ChEMBL_305702 (CHEMBL827217)	In vitro inhibition of Prostaglandin G/H synthase 1 in human whole blood
50015485	7	ChEMBL_306016 (CHEMBL833531)	Inhibitory activity against DNA-dependent protein kinase (DNA-PK) at 0.5 uM
50015485	6	ChEMBL_305712 (CHEMBL827226)	Inhibitory activity against DNA-dependent protein kinase (DNA-PK)
50015486	2	ChEMBL_305433 (CHEMBL830926)	Inhibitory activity against HIV-1 reverse transcriptase
50015497	4	ChEMBL_429561 (CHEMBL919559)	Inhibition of COX1 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay
50015502	5	ChEMBL_429670 (CHEMBL919964)	Inhibition of MMP9
50015502	6	ChEMBL_429668 (CHEMBL919962)	Inhibition of MMP1
50015502	7	ChEMBL_429672 (CHEMBL919966)	Inhibition of MMP13
50015502	8	ChEMBL_429674 (CHEMBL919968)	Inhibition of TACE
50008303	4	ChEBML_207958	Inhibition of thrombin
50008303	5	ChEBML_49751	Compound was evaluated for the inhibition of Chymotrypsinogen
50008303	7	ChEMBL_207958 (CHEMBL811074)	Inhibition of thrombin
50008303	1	ChEBML_212695	Inhibition of trypsin
50008303	8	ChEMBL_212695 (CHEMBL820677)	Inhibition of trypsin
50008303	9	ChEMBL_49751 (CHEMBL662083)	Compound was evaluated for the inhibition of Chymotrypsinogen
50008303	6	ChEMBL_48619 (CHEMBL659600)	Compound was evaluated for the inhibition of Coagulation factor X
50008303	2	ChEBML_96625	Compound was evaluated for the inhibition of human leukocyte elastase(HLE).
50008304	1	ChEBML_140644	Compound was evaluated for inhibitory activity against iNOS obtained from RAW 264.7 cells.
50015504	14	ChEMBL_429708 (CHEMBL904282)	Inhibition of PKCalpha
50015504	13	ChEMBL_429710 (CHEMBL904284)	Inhibition of PKA
50015524	3	ChEMBL_306883 (CHEMBL828689)	In vitro inhibition of taurocholate binding to human ileal bile acid transporter expressed in CHO cells
50015525	7	ChEMBL_302558 (CHEMBL839521)	Binding affinity value against kallikrein
50015530	4	ChEMBL_306019 (CHEMBL833534)	Inhibitory concentration against falcipain-2 of Plasmodium falciparum W2 
50015536	2	ChEMBL_302962 (CHEMBL828806)	Binding affinity against human brain memapsin 2
50015544	2	ChEMBL_305282 (CHEMBL832831)	Inhibitory activity against beta-secretase 1 (BACE1)
50015552	2	ChEMBL_429987 (CHEMBL917717)	Inhibition of HCV NS3 protease
50015609	25	ChEMBL_430261 (CHEMBL914500)	Inhibition of p38 kinase
50015609	27	ChEMBL_430269 (CHEMBL913895)	Inhibition of AKT
50008319	1	ChEBML_149050	Binding affinity against cloned human oxytocin receptor from human embryonic kidney cells
50008319	2	ChEBML_193005	Binding affinity against oxytocin receptor (rOTr) in DES pretreated rat uterine
50015609	26	ChEMBL_430265 (CHEMBL914504)	Inhibition of MEK
50008320	1	ChEBML_38800	Compound was evaluated for agonistic activity in human Beta-3 adrenergic receptor assay; partial weak agonist
50015609	24	ChEMBL_430255 (CHEMBL914494)	Inhibition of Bcr-Abl kinase
50008320	4	ChEBML_37376	Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol
50015609	28	ChEMBL_430272 (CHEMBL913898)	Inhibition of IR kinase
50015609	29	ChEMBL_430274 (CHEMBL913900)	Inhibition of PKCalpha
50015620	3	ChEMBL_430457 (CHEMBL916301)	Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 production
50008320	3	ChEMBL_38800 (CHEMBL652341)	Compound was evaluated for agonistic activity in human Beta-3 adrenergic receptor assay; partial weak agonist
50008321	2	ChEBML_225775	Ability to activate thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pituitary tumor cells prelabelled with myo-[3H] inositol
50015624	1	ChEMBL_430501 (CHEMBL917750)	Displacement of [125I]NDP-alpha-MSH from MC4R D122A mutant expressed in HEK293 cells
50015624	9	ChEMBL_430482 (CHEMBL917731)	Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells
50015624	10	ChEMBL_430487 (CHEMBL917736)	Displacement of [125]NDP-MSH from human MC3receptor expressed in HEK293 cells
50015624	7	ChEMBL_430483 (CHEMBL917732)	Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production
50015642	3	ChEMBL_312923 (CHEMBL874818)	Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells
50015642	4	ChEMBL_312864 (CHEMBL874942)	Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells
50008329	8	ChEMBL_226353 (CHEMBL847138)	Inhibition of serine protease trypsin enzyme.
50008329	1	ChEBML_226352	Inhibition of serine protease thrombin enzyme.
50008329	5	ChEBML_226346	Compound was tested for the inhibition of serine protease factor VIIa enzyme.
50008329	4	ChEBML_226351	Compound was tested for the inhibition of serine protease tissue plasminogen activator enzyme.
50008329	3	ChEBML_226350	Compound was tested for the inhibition of serine protease plasmin enzyme.
50008333	5	ChEMBL_226600 (CHEMBL874106)	Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor
50008339	1	ChEBML_45174	Compound was tested for inhibitory activity against cathepsin D
50008339	2	ChEBML_222775	Inhibitory activity against plasmepsin-2
50015642	1	ChEMBL_304339 (CHEMBL839765)	Agonistic activity for transient receptor potential vanilloid type 1 expressed in CHO cells
50008346	2	ChEBML_102124	In vitro inhibitory activity against human recombinant matrix metalloprotease 7
50008346	3	ChEBML_102120	Inhibition of matrix metalloprotease 2 (MMP2) of human HT1080 fibrosarcoma cells induced with TNF
50008346	5	ChEBML_102122	Inhibition of human recombinant matrix metalloprotease 3 (MMP3)
50008346	1	ChEBML_102119	In vitro inhibitory activity against matrix metalloprotease 1 isolated from the culture medium of human skin fibroblasts induced with PMA
50008346	6	ChEMBL_102122 (CHEMBL710599)	Inhibition of human recombinant matrix metalloprotease 3 (MMP3)
50008346	4	ChEMBL_102120 (CHEMBL710597)	Inhibition of matrix metalloprotease 2 (MMP2) of human HT1080 fibrosarcoma cells induced with TNF
50008348	2	ChEMBL_216283 (CHEMBL819889)	Inhibitory activity against alpha-L-fucosidase in bovine epididymis; Competitive Inhibition type
50008348	5	ChEMBL_216285 (CHEMBL819891)	Inhibitory activity against alpha-L-fucosidase in bovine kidney; Competitive Inhibition type
50008348	6	ChEMBL_216286 (CHEMBL819293)	Inhibitory activity against alpha-L-fucosidase in human placenta at PH of 6.5; Mixed Inhibition type
50008349	4	ChEMBL_162103 (CHEMBL767795)	Inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate as substrate at Km concentration (20 uM)
50008349	2	ChEMBL_162102 (CHEMBL767794)	Inhibitory activity against PTP1B as a model Protein tyrosine transferase (PTP) using fluorescein diphosphate as substrate at Km concentration (20 uM) at th
50008353	3	ChEBML_92762	Inhibitory activity against L-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was determined.
50008353	2	ChEBML_199858	Inhibitory activity against Selectin E IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was determined.
50008353	1	ChEBML_148137	Inhibitory activity against P-selectin IgG chimeras binding to sLex coating 96 wells using competitive cell-free ELISA assay was determined.
50015645	4	ChEMBL_306221 (CHEMBL831129)	Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)
50015645	2	ChEMBL_306176 (CHEMBL830970)	Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)
50015645	3	ChEMBL_306286 (CHEMBL828428)	Concentration required to inhibit catalytic activity of human immuno deficiency virus type 1 integrase
50008361	6	ChEMBL_216125 (CHEMBL816945)	Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans
50008361	4	ChEMBL_216128 (CHEMBL816948)	Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1
50008362	1	ChEBML_218108	Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)
50008362	2	ChEMBL_218064 (CHEMBL821936)	Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT) at 0.2 mM concentration
50008362	3	ChEBML_218064	Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT) at 0.2 mM concentration
50015678	12	ChEMBL_305785 (CHEMBL827974)	Inhibition of DNA dependent protein kinase isolated from HeLa cells
50015678	13	ChEMBL_303188 (CHEMBL829682)	Binding affinity for DNA dependent protein kinase isolated from HeLa cells; Range is 20-120
50015678	1	ChEMBL_303279 (CHEMBL828272)	Binding affinity for PI3-kinase isolated from HeLa cells; Range is 20-120
50008369	1	ChEBML_225420	In vitro inhibitory activity against thrombin(FIIa)
50008369	2	ChEBML_225795	In vitro inhibitory activity against trypsin
50008371	1	ChEBML_202316	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor
50008372	2	ChEMBL_46998 (CHEMBL658967)	Binding affinity towards Cannabinoid receptor 2 from mouse spleen membranes using 0.8 nM [3H]CP-55940 as radioligand
50015713	2	ChEMBL_306597 (CHEMBL832944)	Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of hepatitis C virus
50008373	2	ChEMBL_210266 (CHEMBL809290)	Compound was tested in vitro for antagonistic activity against thromboxane receptor. 
50015719	3	ChEMBL_306205 (CHEMBL830163)	Antagonist activity in capsaicin-induced FLIPR assays in HEK293 cells expressing human TRPV1
50015719	1	ChEMBL_306108 (CHEMBL830059)	Antagonist activity in pH 5.5-induced FLIPR assays in HEK293 cells expressing human TRPV1
50008377	13	ChEMBL_32766 (CHEMBL643711)	Binding affinity measured at the Alpha-2 adrenergic receptor by the inhibition of [3H]clonidine binding to rat cortex using unlabeled NAbitartrate for nonspecific binding.
50008377	9	ChEMBL_58522 (CHEMBL672017)	Binding affinity measured at the Dopamine receptor D1 by the inhibition of [3H]SCH-23390 binding to rat striatum using unlabeled apomorphine for nonspecific binding.
50008377	1	ChEMBL_201741 (CHEMBL882734)	Binding affinity measured at the sigma receptor by the inhibition of [3H]-3-PPP binding to guinea pig cerebellum using unlabeled 3-PPP for nonspecific binding.
50008377	15	ChEMBL_37538 (CHEMBL647620)	Binding affinity measured at the Beta-1 adrenergic receptor by the inhibition of [3H]DHA binding to rat cortex using unlabeled isoprenalin for nonspecific binding.
50008377	5	ChEMBL_1093 (CHEMBL616416)	Binding affinity measured at the 5-hydroxytryptamine 1A receptor by the inhibition of [3H]8-OH-DPAT binding to rat cortex using unlabeled buspirone for nonspecific binding.
50008377	7	ChEMBL_60671 (CHEMBL671707)	Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]spiperone binding to human recombinant CHO cells using unlabeled haloperidol for nonspecific binding.
50008377	6	ChEMBL_62131 (CHEMBL674521)	Binding affinity measured at the Dopamine receptor D3 by the inhibition of [3H]YM-09151-2 binding to human recombinant CCL 1.3 cells using unlabeled 7-OH-DPAT for nonspecific binding.
50008377	12	ChEMBL_34020 (CHEMBL646009)	Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]prazosin binding to rat cortex using unlabeled WB-4101 for nonspecific binding.
50015736	5	ChEMBL_302755 (CHEMBL838702)	Binding affinity for human melanocortin 3 receptor
50008381	3	ChEMBL_48483 (CHEMBL662061)	Inhibitory activity against bovine coagulation factor X expressed as dissociation constant
50008381	5	ChEMBL_208239 (CHEMBL815718)	Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant
50008381	2	ChEMBL_210594 (CHEMBL816561)	Inhibitory activity against bovine thrombin expressed as dissociation constant
50008381	1	ChEMBL_213134 (CHEMBL817634)	Inhibitory activity against human urokinase plasminogen activator expressed as dissociation constant
50008381	4	ChEMBL_212168 (CHEMBL819016)	Inhibitory activity against bovine trypsin expressed as dissociation constant
50008383	4	ChEMBL_72185 (CHEMBL680003)	Inhibition of Grb2 SH2 domain binding
50008383	2	ChEMBL_72183 (CHEMBL684742)	Inhibition of Grb2 SH2 domain binding in MDA-MB-453 human breast carcinoma cell lysates
50008383	5	ChEMBL_72186 (CHEMBL680004)	Inhibition of Grb2 SH2 domain binding by surface plasmon resonance
50015736	6	ChEMBL_303067 (CHEMBL828893)	Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH
50008383	1	ChEMBL_72368 (CHEMBL680931)	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in plasmon resonance binding assay
50008384	1	ChEMBL_1410 (CHEMBL616198)	Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]8-OH-DPAT as radioligand
50008384	4	ChEMBL_62886 (CHEMBL673596)	In vitro binding affinity towards Dopamine receptor D2 of rat striatal membranes using [3H]- raclopride
50015769	5	ChEMBL_310481 (CHEMBL834425)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor
50015769	1	ChEMBL_304200 (CHEMBL829740)	Effective concentration against human beta-2 adrenergic receptor
50015774	8	ChEMBL_302481 (CHEMBL827172)	Inhibition of matrix metalloprotease-9
50015774	9	ChEMBL_302479 (CHEMBL827170)	Inhibition of matrix metalloprotease-2
50015774	10	ChEMBL_302478 (CHEMBL827169)	Inhibition of matrix metalloprotease-1
50015774	5	ChEMBL_302900 (CHEMBL830361)	Binding affinity for matrix metalloprotease 13
50015774	11	ChEMBL_302480 (CHEMBL827171)	Inhibition of matrix metalloprotease-3
50015774	12	ChEMBL_302745 (CHEMBL852352)	Inhibition of TNF-alpha converting enzyme (TACE, ADAM17)
50015775	3	ChEMBL_305682 (CHEMBL828054)	Inhibitory concentration against Hepatitis C virus-RNA-dependent RNA polymerase
50015775	4	ChEMBL_305018 (CHEMBL829452)	Inhibitory concentration against HIV-Reverse transcriptase
50015819	119	ChEMBL_325004 (CHEMBL860640)	Average Binding Constant for ULK3 m; NA=Not Active at 10 uM
50015819	120	ChEMBL_325002 (CHEMBL860638)	Average Binding Constant for BTK; NA=Not Active at 10 uM
50015819	121	ChEMBL_325072 (CHEMBL860889)	Average Binding Constant for FLT4; NA=Not Active at 10 uM
50015819	122	ChEMBL_325006 (CHEMBL860642)	Average Binding Constant for MAP4K5; NA=Not Active at 10 uM
50015819	123	ChEMBL_325077 (CHEMBL860894)	Average Binding Constant for JNK3; NA=Not Active at 10 uM
50015819	88	ChEMBL_325111 (CHEMBL859873)	Average Binding Constant for ABL1(T315I); NA=Not Active at 10 uM
50015819	124	ChEMBL_325059 (CHEMBL860795)	Average Binding Constant for PHkg2; NA=Not Active at 10 uM
50015819	125	ChEMBL_325009 (CHEMBL859487)	Average Binding Constant for STK17A; NA=Not Active at 10 uM
50015819	126	ChEMBL_325068 (CHEMBL860804)	Average Binding Constant for RPS6KA2 (Kin.Dom. 1); NA=Not Active at 10 uM
50015819	127	ChEMBL_325104 (CHEMBL859866)	Average Binding Constant for INSR; NA=Not Active at 10 uM
50015819	128	ChEMBL_325080 (CHEMBL860897)	Average Binding Constant for PHkg1; NA=Not Active at 10 uM
50015819	129	ChEMBL_325079 (CHEMBL860896)	Average Binding Constant for PRKAA1; NA=Not Active at 10 uM
50015819	130	ChEMBL_325008 (CHEMBL859486)	Average Binding Constant for EPHA6; NA=Not Active at 10 uM
50015819	131	ChEMBL_325050 (CHEMBL860786)	Average Binding Constant for AAK1; NA=Not Active at 10 uM
50015819	132	ChEMBL_325051 (CHEMBL860787)	Average Binding Constant for Aurora3; NA=Not Active at 10 uM
50015819	133	ChEMBL_325082 (CHEMBL860899)	Average Binding Constant for ABL2; NA=Not Active at 10 uM
50015819	134	ChEMBL_325075 (CHEMBL860892)	Average Binding Constant for CSNK1G2; NA=Not Active at 10 uM
50015819	135	ChEMBL_325084 (CHEMBL860901)	Average Binding Constant for CAMK1; NA=Not Active at 10 uM
50015819	114	ChEMBL_325108 (CHEMBL859870)	Average Binding Constant for ABL1(E255K); NA=Not Active at 10 uM
50015819	115	ChEMBL_325109 (CHEMBL859871)	Average Binding Constant for ABL1(H396P); NA=Not Active at 10 uM
50015819	136	ChEMBL_325073 (CHEMBL860890)	Average Binding Constant for CDK2; NA=Not Active at 10 uM
50015819	137	ChEMBL_325074 (CHEMBL860891)	Average Binding Constant for PRKACA; NA=Not Active at 10 uM
50015819	138	ChEMBL_325021 (CHEMBL860655)	Average Binding Constant for CAMKK2; NA=Not Active at 10 uM
50015819	139	ChEMBL_325013 (CHEMBL860647)	Average Binding Constant for STK36; NA=Not Active at 10 uM
50015819	140	ChEMBL_325063 (CHEMBL860799)	Average Binding Constant for JNK1; NA=Not Active at 10 uM
50015819	141	ChEMBL_325105 (CHEMBL859867)	Average Binding Constant for EGFR; NA=Not Active at 10 uM
50015819	142	ChEMBL_325022 (CHEMBL860656)	Average Binding Constant for CAMK1G; NA=Not Active at 10 uM
50015819	143	ChEMBL_325101 (CHEMBL860918)	Average Binding Constant for KIT; NA=Not Active at 10 uM
50015819	144	ChEMBL_325088 (CHEMBL860905)	Average Binding Constant for SYK; NA=Not Active at 10 uM
50015819	145	ChEMBL_325058 (CHEMBL860794)	Average Binding Constant for TEK; NA=Not Active at 10 uM
50015819	146	ChEMBL_325091 (CHEMBL860908)	Average Binding Constant for PIM1; NA=Not Active at 10 uM
50015819	112	ChEMBL_325106 (CHEMBL859868)	Average Binding Constant for ABL1; NA=Not Active at 10 uM
50015819	147	ChEMBL_325042 (CHEMBL860778)	Average Binding Constant for EPHA3; NA=Not Active at 10 uM
50015819	148	ChEMBL_325118 (CHEMBL861050)	Average Binding Constant for STK38L; NA=Not Active at 10 uM
50015819	149	ChEMBL_325047 (CHEMBL860783)	Average Binding Constant for STK16; NA=Not Active at 10 uM
50015819	150	ChEMBL_325025 (CHEMBL860659)	Average Binding Constant for CAMK1D; NA=Not Active at 10 uM
50015819	151	ChEMBL_325054 (CHEMBL859641)	Average Binding Constant for Aurora2; NA=Not Active at 10 uM
50015819	152	ChEMBL_325062 (CHEMBL860798)	Average Binding Constant for CAMK2A; NA=Not Active at 10 uM
50015819	153	ChEMBL_325005 (CHEMBL860641)	Average Binding Constant for MAP3K4; NA=Not Active at 10 uM
50015819	154	ChEMBL_325112 (CHEMBL861044)	Average Binding Constant for ABL1(Y253F); NA=Not Active at 10 uM
50015819	155	ChEMBL_325043 (CHEMBL860779)	Average Binding Constant for EPHA2; NA=Not Active at 10 uM
50015819	156	ChEMBL_325092 (CHEMBL860909)	Average Binding Constant for DAPK2; NA=Not Active at 10 uM
50015819	157	ChEMBL_325029 (CHEMBL860663)	Average Binding Constant for PCTK1; NA=Not Active at 10 uM
50015819	158	ChEMBL_325036 (CHEMBL860772)	Average Binding Constant for CLK3; NA=Not Active at 10 uM
50015819	159	ChEMBL_325032 (CHEMBL860666)	Average Binding Constant for EPHA5; NA=Not Active at 10 uM
50015819	89	ChEMBL_325110 (CHEMBL859872)	Average Binding Constant for ABL1(M351T); NA=Not Active at 10 uM
50015819	160	ChEMBL_325060 (CHEMBL860796)	Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM
50015819	161	ChEMBL_325098 (CHEMBL860915)	Average Binding Constant for LCK; NA=Not Active at 10 uM
50015819	162	ChEMBL_325117 (CHEMBL861049)	Average Binding Constant for SRC; NA=Not Active at 10 uM
50015819	163	ChEMBL_325114 (CHEMBL861046)	Average Binding Constant for PAK1; NA=Not Active at 10 uM
50015819	164	ChEMBL_325066 (CHEMBL860802)	Average Binding Constant for PAK3; NA=Not Active at 10 uM
50015819	165	ChEMBL_325055 (CHEMBL859642)	Average Binding Constant for YES; NA=Not Active at 10 uM
50015819	166	ChEMBL_325057 (CHEMBL859644)	Average Binding Constant for CDK5; NA=Not Active at 10 uM
50015819	167	ChEMBL_325019 (CHEMBL860653)	Average Binding Constant for SLK; NA=Not Active at 10 uM
50015819	168	ChEMBL_325024 (CHEMBL860658)	Average Binding Constant for CAMKK1; NA=Not Active at 10 uM
50015819	169	ChEMBL_325012 (CHEMBL860646)	Average Binding Constant for BIKE; NA=Not Active at 10 uM
50015819	170	ChEMBL_325093 (CHEMBL860910)	Average Binding Constant for CAMK2B; NA=Not Active at 10 uM
50015819	113	ChEMBL_325107 (CHEMBL859869)	Average Binding Constant for ABL1(Q252H); NA=Not Active at 10 uM
50015819	171	ChEMBL_325011 (CHEMBL859489)	Average Binding Constant for PIM2; NA=Not Active at 10 uM
50008391	1	ChEMBL_99840 (CHEMBL706759)	Leukotriene B4 receptor antagonistic activity was measured by the inhibition of LTB4 induced [Ca2+] release from human PMNs
50015819	172	ChEMBL_325071 (CHEMBL860888)	Average Binding Constant for FYN; NA=Not Active at 10 uM
50015819	173	ChEMBL_325048 (CHEMBL860784)	Average Binding Constant for STK18; NA=Not Active at 10 uM
50015819	174	ChEMBL_325085 (CHEMBL860902)	Average Binding Constant for CSNK1E; NA=Not Active at 10 uM
50015819	175	ChEMBL_325018 (CHEMBL860652)	Average Binding Constant for CLK4; NA=Not Active at 10 uM
50015819	176	ChEMBL_325027 (CHEMBL860661)	Average Binding Constant for STK4; NA=Not Active at 10 uM
50015819	177	ChEMBL_325049 (CHEMBL860785)	Average Binding Constant for MARK2; NA=Not Active at 10 uM
50015819	178	ChEMBL_325100 (CHEMBL860917)	Average Binding Constant for DAPK3; NA=Not Active at 10 uM
50015819	179	ChEMBL_325040 (CHEMBL860776)	Average Binding Constant for TTK; NA=Not Active at 10 uM
50015819	180	ChEMBL_325015 (CHEMBL860649)	Average Binding Constant for STK3_m; NA=Not Active at 10 uM
50015819	181	ChEMBL_325052 (CHEMBL860788)	Average Binding Constant for RIPK2; NA=Not Active at 10 uM
50015819	182	ChEMBL_325041 (CHEMBL860777)	Average Binding Constant for EPHA8; NA=Not Active at 10 uM
50015819	183	ChEMBL_325038 (CHEMBL860774)	Average Binding Constant for CLK1; NA=Not Active at 10 uM
50015819	184	ChEMBL_325030 (CHEMBL860664)	Average Binding Constant for EPHA4; NA=Not Active at 10 uM
50015819	185	ChEMBL_325001 (CHEMBL860637)	Average Binding Constant for FGR; NA=Not Active at 10 uM
50015819	186	ChEMBL_325096 (CHEMBL860913)	Average Binding Constant for CSNK1G1; NA=Not Active at 10 uM
50008392	5	ChEMBL_33748 (CHEMBL647825)	The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells
50008392	4	ChEMBL_32458 (CHEMBL643574)	The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells
50008392	3	ChEMBL_34467 (CHEMBL651999)	The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells
50008392	1	ChEMBL_1459 (CHEMBL616582)	The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus
50015819	187	ChEMBL_325007 (CHEMBL859485)	Average Binding Constant for TNIK; NA=Not Active at 10 uM
50015819	188	ChEMBL_325003 (CHEMBL860639)	Average Binding Constant for PAK4; NA=Not Active at 10 uM
50015819	189	ChEMBL_325017 (CHEMBL860651)	Average Binding Constant for MKNK2; NA=Not Active at 10 uM
50015819	190	ChEMBL_325081 (CHEMBL860898)	Average Binding Constant for PTK2; NA=Not Active at 10 uM
50008394	1	ChEBML_173122	In vitro growth hormone release was determined in rat pituitary cell assay
50008396	11	ChEMBL_38796 (CHEMBL652337)	Binding affinity towards human Beta-3 adrenergic receptor
50008396	7	ChEMBL_39050 (CHEMBL652051)	Binding affinity towards human Beta-3 adrenergic receptor
50008396	6	ChEMBL_144135 (CHEMBL750713)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat
50008396	2	ChEMBL_143835 (CHEMBL748718)	The compound was tested for the binding affinity against NPY1 (Neuropeptide Y receptor type 1)
50008396	4	ChEMBL_50033 (CHEMBL666753)	Binding affinity in Cholecystokinin type A receptor binding assay (iv) in mice
50008396	10	ChEMBL_143851 (CHEMBL747208)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 2
50008396	1	ChEMBL_143836 (CHEMBL748719)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 1 in rat
50008396	3	ChEMBL_144139 (CHEMBL750754)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 5 in rat
50008396	9	ChEMBL_143982 (CHEMBL857547)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 4
50008396	5	ChEMBL_143839 (CHEMBL747050)	The compound was tested for the binding affinity against Neuropeptide Y receptor type 1
50008397	3	ChEMBL_52554 (CHEMBL666253)	Inhibition of human cytochrome P450 2D6 as bufuralol 1''-hydroxylation (10 uM)
50008397	1	ChEMBL_52552 (CHEMBL666251)	Inhibition of human cytochrome P450 2C19 as S-mephenytoin-4-hydroxylation (100 uM)
50008397	4	ChEMBL_52553 (CHEMBL666252)	Inhibitory potential of human cytochrome P450 2C9 as Tolbutamide methylhydroxylation (100 uM)
50015819	191	ChEMBL_325046 (CHEMBL860782)	Average Binding Constant for STK17B; NA=Not Active at 10 uM
50008397	2	ChEMBL_52551 (CHEMBL666250)	Inhibition of human cytochrome P450 1A2 activity as caffeine N3 demethylation (500 uM)
50008397	5	ChEMBL_52555 (CHEMBL666254)	Inhibition of human cytochrome P450 3A4 as total cyclosporin oxidation (1 uM)
50015819	192	ChEMBL_325035 (CHEMBL860771)	Average Binding Constant for BMX; NA=Not Active at 10 uM
50015819	193	ChEMBL_325033 (CHEMBL860667)	Average Binding Constant for LIMK1; NA=Not Active at 10 uM
50015819	194	ChEMBL_325044 (CHEMBL860780)	Average Binding Constant for FER; NA=Not Active at 10 uM
50015819	195	ChEMBL_325103 (CHEMBL860920)	Average Binding Constant for ERBB2; NA=Not Active at 10 uM
50015819	196	ChEMBL_325031 (CHEMBL860665)	Average Binding Constant for EPHB1; NA=Not Active at 10 uM
50015819	197	ChEMBL_325037 (CHEMBL860773)	Average Binding Constant for CLK2; NA=Not Active at 10 uM
50015819	198	ChEMBL_325039 (CHEMBL860775)	Average Binding Constant for FRK; NA=Not Active at 10 uM
50008404	1	ChEMBL_157551 (CHEMBL763303)	Inhibition of HIV-1 protease
50015819	199	ChEMBL_325010 (CHEMBL859488)	Average Binding Constant for PAK7/PAK5; NA=Not Active at 10 uM
50015819	200	ChEMBL_325078 (CHEMBL860895)	Average Binding Constant for JNK2; NA=Not Active at 10 uM
50008409	2	ChEMBL_144605 (CHEMBL751024)	In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substrate
50008409	1	ChEMBL_34793 (CHEMBL643770)	In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL) as the substrate
50008410	1	ChEMBL_64669 (CHEMBL674820)	Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase
50008410	5	ChEMBL_45339 (CHEMBL661877)	Compound was tested by chromogenic assay for the inhibition of serine proteases like Human cathepsin G
50008410	4	ChEMBL_212186 (CHEMBL873373)	Compound was tested by chromogenic assay for the inhibition of serine proteases like Bovine trypsin
50008410	2	ChEMBL_216467 (CHEMBL818537)	In vitro inhibition of bovine alpha chymotrypsin.
50008410	6	ChEMBL_34109 (CHEMBL649738)	Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)
50008410	3	ChEMBL_197653 (CHEMBL806257)	Compound was tested by chromogenic assay for the inhibition of human Serine protease chymase
50008412	1	ChEMBL_70660 (CHEMBL678650)	The compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase from pig brain
50015819	201	ChEMBL_325090 (CHEMBL860907)	Average Binding Constant for CSK; NA=Not Active at 10 uM
50015819	202	ChEMBL_325083 (CHEMBL860900)	Average Binding Constant for VEGFR2; NA=Not Active at 10 uM
50015819	203	ChEMBL_325076 (CHEMBL860893)	Average Binding Constant for CAMK2D; NA=Not Active at 10 uM
50015819	204	ChEMBL_325069 (CHEMBL860805)	Average Binding Constant for LYN; NA=Not Active at 10 uM
50015819	205	ChEMBL_325061 (CHEMBL860797)	Average Binding Constant for FLT3; NA=Not Active at 10 uM
50015819	206	ChEMBL_325065 (CHEMBL860801)	Average Binding Constant for FGFR3; NA=Not Active at 10 uM
50015819	207	ChEMBL_325014 (CHEMBL860648)	Average Binding Constant for PAK6; NA=Not Active at 10 uM
50015819	208	ChEMBL_325053 (CHEMBL860789)	Average Binding Constant for GAK; NA=Not Active at 10 uM
50015819	209	ChEMBL_325095 (CHEMBL860912)	Average Binding Constant for FGFR2; NA=Not Active at 10 uM
50015819	210	ChEMBL_325094 (CHEMBL860911)	Average Binding Constant for FGFR1; NA=Not Active at 10 uM
50008420	1	ChEBML_156376	Compound was tested for inhibitory activity against type II Phospholipase A2 (PLA2) isolated from japanese mamushi (Agkistrodon halys blomhoffii) venom
50015819	211	ChEMBL_325113 (CHEMBL861045)	Average Binding Constant for CAMK2G; NA=Not Active at 10 uM
50015819	212	ChEMBL_325064 (CHEMBL860800)	Average Binding Constant for MYLK2; NA=Not Active at 10 uM
50008424	1	ChEBML_210387	Inhibitory activity against thermolysin
50008426	1	ChEBML_51898	Antiviral activity as inhibition of human liver microsomal Cytochrome P450 3A4
50008426	2	ChEMBL_51898 (CHEMBL666004)	Antiviral activity as inhibition of human liver microsomal Cytochrome P450 3A4
50008427	1	ChEBML_157700	Inhibitory activity against HIV protease
50008431	1	ChEBML_62283	Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]raclopride as radioligand
50008431	3	ChEBML_61452	Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]raclopride as radioligand.
50008431	2	ChEBML_201038	Compound was measured for the inhibition of [3H]8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)
50015819	213	ChEMBL_325026 (CHEMBL860660)	Average Binding Constant for EPHA7; NA=Not Active at 10 uM
50008434	1	ChEBML_208323	In vitro binding affinity for human thrombin.
50015819	214	ChEMBL_325020 (CHEMBL860654)	Average Binding Constant for MAP3K5; NA=Not Active at 10 uM
50015819	215	ChEMBL_325028 (CHEMBL860662)	Average Binding Constant for ACK1; NA=Not Active at 10 uM
50008436	1	ChEBML_208548	The inhibitory activity against thrombin (IIa)
50008436	4	ChEBML_212536	The inhibitory activity against trypsin
50015819	216	ChEMBL_325102 (CHEMBL860919)	Average Binding Constant for PDGFRB; NA=Not Active at 10 uM
50015819	217	ChEMBL_325070 (CHEMBL860887)	Average Binding Constant for HCK; NA=Not Active at 10 uM
50008436	5	ChEMBL_207985 (CHEMBL816476)	Inhibition of thrombin (IIa)
50015819	218	ChEMBL_325089 (CHEMBL860906)	Average Binding Constant for RPS6KA5 (Kin.Dom 1); NA=Not Active at 10 uM
50008438	1	ChEBML_157702	Compound was tested for the inhibition of HIV-1 protease by assaying the cleavage of a fluorescent peptide using HPLC
50008439	1	ChEBML_29657	Compound was measured for the inhibition of bafilomycin-sensitive ATPase activity in partially purified membrane preparation from chicken osteoclast (cOC)
50015819	219	ChEMBL_325086 (CHEMBL860903)	Average Binding Constant for JAK2 (Kin.Dom. 2); NA=Not Active at 10 uM
50008441	2	ChEMBL_157537 (CHEMBL764922)	Binding affinity against HIV-1 protease was determined
50008441	1	ChEBML_157537	Binding affinity against HIV-1 protease was determined
50015819	220	ChEMBL_325067 (CHEMBL860803)	Average Binding Constant for NTRK1; NA=Not Active at 10 uM
50008442	2	ChEBML_157552	Compound was assayed for inhibition against HIV protease activity
50008442	1	ChEMBL_79971 (CHEMBL690409)	Compound was assayed for inhibition against HIV protease activity
50008445	1	ChEBML_72639	Compound was tested for its inhibitory effect on rabbit liver guanase
50015819	221	ChEMBL_325056 (CHEMBL859643)	Average Binding Constant for p38-gamma; NA=Not Active at 10 uM
50008449	1	ChEBML_158972	Inhibitory activity against human cytomegalovirus (HCMV) protease was evaluated
50008450	1	ChEBML_212708	In vitro inhibitory activity was evaluated against human trypsin
50008450	2	ChEBML_49135	In vitro inhibitory activity was evaluated against Coagulation factor X
50008450	3	ChEBML_155585	In vitro inhibitory activity was evaluated against thrombolytic enzyme plasmin
50015819	222	ChEMBL_325034 (CHEMBL860668)	Average Binding Constant for NEK2; NA=Not Active at 10 uM
50015819	223	ChEMBL_325045 (CHEMBL860781)	Average Binding Constant for STK10; NA=Not Active at 10 uM
50015819	224	ChEMBL_325023 (CHEMBL860657)	Average Binding Constant for NEK9; NA=Not Active at 10 uM
50015834	5	ChEMBL_303259 (CHEMBL826385)	In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line
50015834	6	ChEMBL_302688 (CHEMBL839450)	In vitro binding affinity against mouse CC chemokine receptor 3
50015861	10	ChEMBL_303661 (CHEMBL830422)	Inhibition of [3H]PGD-2 binding to human chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)
50015861	11	ChEMBL_313020 (CHEMBL874214)	Inhibition of PGD2-induced inositol phosphate formation at human chemoattractant receptor-homologous molecule expressed on TH2 cells
50015861	3	ChEMBL_303021 (CHEMBL830409)	Inhibition of [3H]SQ-29,548 binding to human Thromboxane A2 receptor
50015861	8	ChEMBL_312964 (CHEMBL827477)	Inhibition of beta-arrestin translocation at Thromboxane A2 receptor
50015861	12	ChEMBL_312848 (CHEMBL874927)	Inhibition of U-46,619-induced inositol phosphate accumulation at human Thromboxane A2 receptor
50015861	1	ChEMBL_303004 (CHEMBL830243)	Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor
50015861	13	ChEMBL_312533 (CHEMBL832576)	Inhibition of PGD2-induced inositol phosphate formation at human Prostaglandin D2 receptor
50008452	5	ChEMBL_62951 (CHEMBL675535)	Concentration inhibiting Dopamine transporter
50008452	3	ChEMBL_61685 (CHEMBL671770)	In vitro binding affinity against Dopamine transporter in LLC-PK1 cell membranes.
50008452	2	ChEMBL_201498 (CHEMBL805626)	In vitro binding affinity against Serotonin transporter (SERT) from LLC-PK1 cell membranes.
50008452	1	ChEMBL_142940 (CHEMBL750369)	In vitro binding affinity against monoamine transporter NET (norepinephrine transporter) in LLC-PK1 cell membranes.
50008452	4	ChEMBL_143134 (CHEMBL744178)	Compound was tested for inhibiting reuptake of [3H]- NE by norepinephrine transporter
50008453	1	ChEMBL_2583 (CHEMBL617604)	Compound was tested for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor
50015861	7	ChEMBL_313053 (CHEMBL835744)	Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay
50008453	3	ChEMBL_2581 (CHEMBL617602)	Compound was tested for it's binding affinity towards 5-hydroxytryptamine 2A receptor
50015897	2	ChEMBL_305694 (CHEMBL828066)	Inhibitory concentration against human immunodeficiency virus type 1 integrase
50015897	3	ChEMBL_305193 (CHEMBL832781)	Inhibitory concentration against integrase-catalysed strand transfer
50015898	3	ChEMBL_306530 (CHEMBL829597)	Inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1
50015898	9	ChEMBL_304334 (CHEMBL839761)	Effective concentration to inhibit the activity of RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1
50015898	2	ChEMBL_306452 (CHEMBL829096)	Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus
50015898	7	ChEMBL_304183 (CHEMBL829179)	Effective concentration for inhibitory activity against NS5B polymerase of Hepatitis C virus; n=1
50015898	1	ChEMBL_310553 (CHEMBL834454)	Effective concentration for inhibitory activity of RNA dependent RNA polymerase nonstructural protein 5B in hepatitis C virus; n=1
50015898	8	ChEMBL_306434 (CHEMBL828247)	Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus
50015898	4	ChEMBL_305640 (CHEMBL829499)	Inhibitory concentration against NS5B polymerase of Hepatitis C virus; n=1
50015898	5	ChEMBL_304337 (CHEMBL877122)	Effective concentration for inhibitory activity against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus; n=1
50015916	2	ChEMBL_306110 (CHEMBL830061)	Concentration to inhibit strand transfer of wild type Human immuno deficiency virus-1 integrase
50015916	4	ChEMBL_306087 (CHEMBL833588)	Concentration to inhibit strand transfer of wild type Human immunodeficiency virus-1 integrase
50015916	8	ChEMBL_306086 (CHEMBL833587)	Concentration to inhibit 3' processing of wild type Human immuno deficiency virus-1 integrase
50015916	7	ChEMBL_306062 (CHEMBL832198)	Concentration to inhibit 3' processing of wild type Human immunodeficiency virus-1 integrase
50015916	6	ChEMBL_306004 (CHEMBL832677)	Concentration to inhibit strand transfer of wild type Human immunodeficiency virus-1 integrase
50015916	1	ChEMBL_317581 (CHEMBL825245)	Concentration to inhibit 3' processing of soluble mutant (F185K, C280S) of wild type Human immunodeficiency virus-1 integrase
50015916	5	ChEMBL_317582 (CHEMBL825246)	Concentration to inhibit strand transfer of soluble mutant (F185K, C280S) of wild type Human immunodeficiency virus-1 integrase
50015928	2	ChEMBL_306584 (CHEMBL832931)	Inhibitory concentration against Hepatitis C virus RNA dependent RNA polymerase Nonstructural protein 5B
50015933	1	ChEMBL_306582 (CHEMBL832929)	Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of genotype 1b Hepatitis C virus
50015933	3	ChEMBL_304350 (CHEMBL839779)	Effective concentration against RNA dependent RNA polymerase Nonstructural protein 5B of genotype 1b Hepatitis C virus
50015933	4	ChEMBL_306581 (CHEMBL832928)	Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B of genotype 1a Hepatitis C virus
50015941	5	ChEMBL_306331 (CHEMBL828675)	In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand
50015941	3	ChEMBL_310206 (CHEMBL833811)	Effective concentration determined against melanocortin-4 receptor
50015941	6	ChEMBL_310205 (CHEMBL833810)	Effective concentration determined against melanocortin-3 receptor
50015965	15	ChEMBL_305459 (CHEMBL830955)	Inhibition of PDGF-R2 tyrosine kinase
50015965	9	ChEMBL_305487 (CHEMBL830278)	Inhibition of beta IRK tyrosine kinase
50015965	17	ChEMBL_306046 (CHEMBL874552)	Inhibition of human Insulin receptor expressed in CHO cells
50015965	16	ChEMBL_312572 (CHEMBL835238)	Inhibition of KDR-induced MAP kinase autophosphorylation assay in HUVEC cells
50015965	18	ChEMBL_306228 (CHEMBL831136)	In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP
50015967	22	ChEMBL_305880 (CHEMBL832743)	Inhibition of Platelet-derived growth factor receptor in P19 cells
50015967	17	ChEMBL_305828 (CHEMBL829570)	Inhibition of human Protein kinase C beta 1 using [gamma-33P]-ATP
50015967	23	ChEMBL_305829 (CHEMBL829571)	Inhibition of human Protein kinase C beta 2 using [gamma-33P]-ATP
50015967	24	ChEMBL_305383 (CHEMBL832897)	Inhibition of Insulin receptor kinase in P19 cells
50015967	25	ChEMBL_305791 (CHEMBL827979)	Inhibition of human Protein kinase C alpha using [gamma-33P]-ATP
50015967	13	ChEMBL_304829 (CHEMBL827917)	Inhibition of Potassium channel HERG
50015967	14	ChEMBL_312615 (CHEMBL834104)	Inhibition of IL-8 release by HEK293 cells expressing PKC-beta2
50015967	26	ChEMBL_305792 (CHEMBL827980)	Inhibition of human Protein kinase C gamma using [gamma-33P]-ATP
50015967	27	ChEMBL_306271 (CHEMBL827548)	Inhibition of Mitogen-activated protein kinase/extracellular signal-regulated kinase 2 in P19 cells
50015967	28	ChEMBL_305394 (CHEMBL833044)	Inhibition of Protein kinase C zeta
50015967	29	ChEMBL_305656 (CHEMBL829514)	Inhibition of Epidermal growth factor receptor in P19 cells
50015967	30	ChEMBL_305914 (CHEMBL832629)	Inhibition of Cyclin-dependent kinase 1 in P19 cells
50015967	31	ChEMBL_305430 (CHEMBL830923)	Inhibition of Protein kinase C delta
50015975	5	ChEMBL_306393 (CHEMBL828734)	Inhibition of rat transient receptor potential vanilloid 1 receptor (n=3)
50008460	1	ChEMBL_148515 (CHEMBL759051)	Displacement of [3H]-DAGO from Opioid receptor mu 1 of adult male mouse brain.
50008460	2	ChEMBL_146338 (CHEMBL753787)	Displacement of [3H]NLT from Opioid receptor delta 1 of adult male mouse brain.
50015975	18	ChEMBL_306871 (CHEMBL828469)	In vitro inhibition of PMA-activated human TRPV1 receptor in [Ca2+] influx assay
50015975	2	ChEMBL_304315 (CHEMBL830110)	Effective concentration against human transient receptor potential vanilloid 1 receptor (n=3)
50015975	4	ChEMBL_306429 (CHEMBL828243)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=3)
50015975	3	ChEMBL_306428 (CHEMBL828099)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=2)
50015975	23	ChEMBL_304300 (CHEMBL830095)	Effective concentration against rat transient receptor potential vanilloid 1 receptor (n=6)
50015975	21	ChEMBL_306432 (CHEMBL828245)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=6)
50015975	16	ChEMBL_306430 (CHEMBL874566)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=4)
50015975	12	ChEMBL_304298 (CHEMBL830093)	Effective concentration against rat transient receptor potential vanilloid 1 receptor (n=3)
50015989	33	ChEMBL_303229 (CHEMBL827194)	Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporter
50015989	34	ChEMBL_303464 (CHEMBL838760)	Inhibition of [125I]- R91150 binding to 5-hydroxytryptamine 2A receptor
50015989	35	ChEMBL_303465 (CHEMBL838761)	Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptor
50015989	30	ChEMBL_302773 (CHEMBL852482)	Binding affinity for alpha-2C adrenergic receptor
50015989	36	ChEMBL_303308 (CHEMBL840034)	Inhibition of [3H]spiperone binding to Dopamine receptor D2
50015989	37	ChEMBL_303309 (CHEMBL840035)	Inhibition of [3H]spiperone binding to Dopamine receptor D4
50008464	3	ChEMBL_32425 (CHEMBL644964)	The binding affinity towards Alpha-1C adrenergic receptor in the COS cell line.
50015989	24	ChEMBL_303405 (CHEMBL839162)	Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor
50008464	2	ChEMBL_61584 (CHEMBL675756)	Inhibitory concentration against Dopamine receptor D2 (Inactive at >1000 nM concentration)
50008464	1	ChEMBL_2589 (CHEMBL617457)	Inhibitory concentration against 5-hydroxytryptamine 2A receptor (Inactive at >1000 nM concentration)
50015989	38	ChEMBL_302772 (CHEMBL838835)	Binding affinity for alpha-2A adrenergic receptor
50008464	5	ChEMBL_34184 (CHEMBL649044)	The binding affinity towards Alpha-1A adrenergic receptor in the COS cell line.
50015989	39	ChEMBL_303448 (CHEMBL839708)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor
50008464	8	ChEMBL_866 (CHEMBL615922)	Inhibitory concentration against 5-hydroxytryptamine 1A receptor (Inactive at >1000 nM concentration)
50008464	7	ChEMBL_32304 (CHEMBL646250)	The binding affinity towards Alpha-1B adrenergic receptor in the COS cell line.
50015989	40	ChEMBL_303503 (CHEMBL839975)	Inhibition of [3H]- mesulergine binding to 5-hydroxytryptamine 2C receptor
50015989	41	ChEMBL_303386 (CHEMBL839703)	Inhibition of [3H]WIN-35428 binding to Dopamine transporter of rat striatum
50015989	26	ChEMBL_302646 (CHEMBL839936)	Binding affinity for serotonin transporter
50015989	42	ChEMBL_303514 (CHEMBL839628)	Inhibition of [3H]-nisoxetine binding to Norepinephrine transporter from rat cortex
50015989	25	ChEMBL_303376 (CHEMBL839694)	Inhibition of [125I]-iodosulpiride binding to Dopamine receptor D3
50015989	6	ChEMBL_303528 (CHEMBL839642)	Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor
50015989	27	ChEMBL_308671 (CHEMBL833647)	Binding affinity for serotonin transporter
50015989	43	ChEMBL_303363 (CHEMBL839681)	Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 7 receptor
50015989	44	ChEMBL_303466 (CHEMBL838762)	Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor
50015989	29	ChEMBL_308675 (CHEMBL833651)	Binding affinity for alpha-2C-adrenergic receptor
50008464	4	ChEMBL_865 (CHEMBL615921)	Inhibition concentration against 5-hydroxytryptamine 1A receptor
50008469	2	ChEMBL_61419 (CHEMBL675887)	In vitro inhibition of [3H]spiroperidol binding to rat Dopamine D2 receptors.
50008469	4	ChEMBL_846 (CHEMBL615902)	In vitro inhibition of [3H]8-OH-DPAT binding to rat 5-HT 1a receptors.
50015989	31	ChEMBL_308674 (CHEMBL833650)	Binding affinity for alpha-2A-adrenergic receptor
50015989	28	ChEMBL_302770 (CHEMBL838833)	Binding affinity for Alpha-2A adrenergic receptor
50008473	1	ChEMBL_1728 (CHEMBL616933)	In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor
50008473	2	ChEMBL_1672 (CHEMBL616663)	Ability to inhibit forskolin-stimulated adenylate cyclase in a cell line expressing human 5-hydroxytryptamine 1D receptor
50008473	4	ChEMBL_1357 (CHEMBL616430)	In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor
50008473	3	ChEMBL_951 (CHEMBL616130)	In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor
50008475	4	ChEBML_156007	Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta
50008475	3	ChEBML_155190	Inhibition of c-GMP specific phosphodiesterase PDE5 of bovine lung
50008475	5	ChEMBL_155190 (CHEMBL763663)	Inhibition of c-GMP specific phosphodiesterase PDE5 of bovine lung
50015989	32	ChEMBL_302771 (CHEMBL838834)	Binding affinity for Alpha-2C adrenergic receptor
50008480	1	ChEBML_40202	Inhibition of [3H]propionyl-CCK-8 binding to mouse cerebral cortex membrane cholecystokinin-B (CCK-B) receptor
50008480	3	ChEBML_40051	Inhibition of [3H]propionyl-CCK-8 binding to rat pancreas cholecystokinin-A (CCK-A) receptor
50008480	2	ChEMBL_40202 (CHEMBL652247)	Inhibition of [3H]propionyl-CCK-8 binding to mouse cerebral cortex membrane cholecystokinin-B (CCK-B) receptor
50008485	1	ChEMBL_209656 (CHEMBL811596)	Inhibitory activity against recombinant human Thymidylate synthase enzyme
50008485	4	ChEBML_54286	Inhibitory activity against recombinant human dihydrofolate reductase (DHFR)
50008485	2	ChEBML_209656	Inhibitory activity against recombinant human Thymidylate synthase enzyme
50016014	7	ChEMBL_305128 (CHEMBL832424)	Inhibitory concentration against matrix metalloprotease 14
50016014	8	ChEMBL_305127 (CHEMBL832423)	Inhibitory concentration against matrix metalloprotease 13
50016016	6	ChEMBL_306251 (CHEMBL828384)	Inhibitory concentration against human cathepsin H using 50 uM L-Arg-beta-naphthalamide
50016016	7	ChEMBL_306044 (CHEMBL833001)	Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC
50016026	1	ChEMBL_310535 (CHEMBL834430)	Effective concentration DP2 mediated expression of the adhesion molecule CD11b in eosinophils
50016026	2	ChEMBL_310504 (CHEMBL833243)	Effective concentration for DP2 mediated stimulation of actin polymerization in eosinophils
50016026	4	ChEMBL_310318 (CHEMBL833274)	Effective concentration for DP2 mediated chemotaxis in eosinophils
50016032	3	ChEMBL_313003 (CHEMBL874197)	In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay
50016032	2	ChEMBL_308686 (CHEMBL834126)	Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)
50016045	10	ChEMBL_302313 (CHEMBL828902)	Inhibition of coagulation factor II (thrombin) of human
50016045	11	ChEMBL_302301 (CHEMBL827062)	Inhibitory activity against kallikrein
50008491	5	ChEMBL_155488 (CHEMBL768063)	Inhibition of platelet aggregation in citreated human platelet rich plasma (PRP)
50008491	7	ChEMBL_218199 (CHEMBL824548)	Affinity for purified human platelet glycoprotein alpha IIb beta3 integrin receptor in ELISA
50008491	6	ChEMBL_155489 (CHEMBL768064)	Inhibition of platelet aggregation in heparin treated human platelet rich plasma (PRP)
50008491	8	ChEMBL_70161 (CHEMBL683381)	Inhibition of fibrinogen (Fg) interaction with GPIIb/IIIa in gel filtered platelets
50008492	3	ChEBML_106601	Inhibition of recombinant Matrix metalloprotease-13 (MMP-13)
50008492	5	ChEBML_101930	Inhibition of recombinant matrix metalloprotease-2 (MMP-2)
50008492	2	ChEBML_101942	Inhibition of recombinant matrix metalloprotease-3 (MMP-3)
50008492	1	ChEMBL_101942 (CHEMBL710571)	Inhibition of recombinant matrix metalloprotease-3 (MMP-3)
50008494	1	ChEBML_43477	Inhibitory activity against chicken gizzard smooth muscle calpain
50008495	1	ChEBML_68012	In vitro binding affinity against estrone sulfatase in rat liver microsomes
50008496	1	ChEBML_54017	Concentration required to inhibit human DNA topoisomerase I (Topo I)
50016141	7	ChEMBL_306657 (CHEMBL831430)	Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide
50016148	3	ChEMBL_305291 (CHEMBL832840)	Inhibitory concentration against prostaglandin G/H synthase 1 of human whole blood
50016153	4	ChEMBL_305497 (CHEMBL831099)	In vitro inhibitory concentration against human Heparanase
50008503	6	ChEMBL_104705 (CHEMBL709519)	In vitro inhibitory activity against matrix metalloprotease-3
50008503	2	ChEBML_105960	In vitro inhibitory activity against matrix metalloprotease 1
50008503	3	ChEBML_105232	In vitro inhibitory activity against matrix metalloprotease-9
50008503	4	ChEMBL_106116 (CHEMBL713708)	Inhibition of matrix metalloprotease 1 (MMP 1)
50008505	1	ChEBML_66902	Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracellular domain of epidermal growth factor receptor
50016155	6	ChEMBL_305685 (CHEMBL828057)	Inhibition of Matrix metalloprotease-9 in MMPi assay
50016155	7	ChEMBL_305723 (CHEMBL829395)	Inhibition of Matrix metalloprotease-14 in MMPi assay
50016166	5	ChEMBL_304843 (CHEMBL827930)	Inhibition of human Phosphodiesterase 5 (n=2-3)
50016166	4	ChEMBL_304733 (CHEMBL829333)	Inhibition of bovine Phosphodiesterase 6 (n=2-3)
50016166	2	ChEMBL_305286 (CHEMBL832835)	Inhibition of human Phosphodiesterase 5; IC50 range 0.03-0.3 nM
50008512	1	ChEBML_155883	Phospholipase A2 inhibition using mixed micelles pH-stat assay and 14 kDa-Phospholipase A2 from Naja mossambica mossambica
50016173	5	ChEMBL_310255 (CHEMBL833015)	Agonist activity at human Melanocortin-3 receptor as peptide required for 50% maximal cAMP release
50016173	11	ChEMBL_303606 (CHEMBL829695)	Inhibition of [125I]-NDP-alpha-MSH binding to melanocortin-3 receptor expressed in HEK293 cells
50016173	12	ChEMBL_310337 (CHEMBL832471)	Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2)
50016173	8	ChEMBL_303607 (CHEMBL829696)	Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-4 receptor expressed in HEK293 cells
50008515	9	ChEMBL_37145 (CHEMBL650378)	Inhibition of beta-galactosidase from jack beans
50008515	5	ChEMBL_37117 (CHEMBL653449)	Inhibition of beta-galactosidase from Aspergillus oryzae
50008515	3	ChEBML_34260	Inhibitory activity against rice Alpha-galactosidase
50008516	1	ChEBML_209266	Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregation
50008518	4	ChEBML_34325	Displacement of [125I]HEAT from human Alpha-1B adrenergic receptor expressed in LM cells
50008518	2	ChEBML_33602	Ability to displace [125I]HEAT from cloned human Alpha-1A adrenergic receptor stably expressed in CHO cells
50008518	1	ChEBML_32427	Displacement of [125I]HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells
50008518	3	ChEBML_34022	Binding affinity against Alpha-1A adrenergic receptor in rat prostatic tissue
50008518	6	ChEMBL_33602 (CHEMBL652810)	Ability to displace [125I]HEAT from cloned human Alpha-1A adrenergic receptor stably expressed in CHO cells
50008521	4	ChEMBL_104735 (CHEMBL710735)	Inhibition of matrix metalloprotease-3 (MMP-3), stromelysin-1
50008521	3	ChEMBL_106127 (CHEMBL718675)	Inhibition of matrix metalloprotease-1 (MMP-1), fibroblast collagenase.
50008521	1	ChEMBL_104394 (CHEMBL714997)	Inhibition of matrix metalloprotease-2 (MMP-2), gelatinase-A
50016173	4	ChEMBL_304152 (CHEMBL828132)	Effective concentration against human melanocortin-4 receptor 
50008522	1	ChEMBL_70312 (CHEMBL678017)	Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]1 binding to purified Fibrinogen Receptor isolated from human platelets and reconstituted in liposomes
50016173	3	ChEMBL_310246 (CHEMBL833847)	Agonist activity at human Melanocortin-3 receptor as peptide required for 50% maximal cAMP release
50008523	3	ChEMBL_43691 (CHEMBL653668)	Inhibition constant for the non time dependent inhibition of calpain 1
50008523	4	ChEMBL_43850 (CHEMBL658512)	Inhibition constant for the non time dependent inhibition of Calpain 2
50016210	2	ChEMBL_305065 (CHEMBL832697)	Inhibitory concentration against Hepatitis C virus NS5B polymerase
50008526	1	ChEMBL_86761 (CHEMBL698661)	Effect at histamine H3 receptors (in vitro) on synaptosomes of rat cerebral cortex assayed by functional H3-receptor assay.
50008528	1	ChEMBL_36369 (CHEMBL650120)	Affinity tested by in vitro competition assay of [125I]ASOR binding to parenchymal rat liver cells
50008529	1	ChEMBL_58613 (CHEMBL666183)	Inhibitor constant of compound for low affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of Gpp(NH)p
50008529	2	ChEMBL_58612 (CHEMBL666182)	Inhibitor constant of compound for low affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of Gpp(NH)p (pretreatment with 100 nM of compound)
50008529	4	ChEMBL_58610 (CHEMBL666180)	Inhibitor constant of compound for high affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of Gpp(NH)p (pretreatment with 100 nM of compound)
50008529	5	ChEMBL_58608 (CHEMBL665376)	Inhibitor constant of compound for high affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of Gpp(NH)p (pretreatment with 100 nM of compound)
50008529	7	ChEMBL_58609 (CHEMBL665377)	Inhibitor constant of compound for high affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in presence of Gpp(NH)p
50008529	6	ChEMBL_61133 (CHEMBL670962)	Inhibitor constant of compound for high affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of Gpp(NH)p
50008529	3	ChEMBL_58611 (CHEMBL666181)	Inhibitor constant of compound for low affinity component of [3H]spiroperidol/N-propylnorapomorphine binding to Dopamine receptor D2 in absence of Gpp(NH)p
50008534	9	ChEMBL_1701 (CHEMBL616908)	Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells
50008534	2	ChEMBL_1616 (CHEMBL616641)	Displacement of [3H]5-HT binding from the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells
50008534	1	ChEMBL_1678 (CHEMBL616668)	Stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor
50008534	6	ChEMBL_1048 (CHEMBL616249)	Affinity of compound towards 5-hydroxytryptamine 1A receptor was evaluated using radioligand binding technique
50008534	3	ChEMBL_1695 (CHEMBL616902)	Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique
50008534	4	ChEMBL_671 (CHEMBL615747)	Affinity of compound towards 5-hydroxytryptamine 1A receptor was evaluated using radioligand binding technique
50008534	8	ChEMBL_2269 (CHEMBL882924)	Affinity of compound towards human 5-hydroxytryptamine 2A receptor was evaluated using radioligand binding technique
50008534	5	ChEMBL_1609 (CHEMBL616635)	Affinity of compound towards 5-hydroxytryptamine 1B receptor was evaluated using radioligand binding technique
50008534	7	ChEMBL_670 (CHEMBL615746)	Affinity of compound towards 5-hydroxytryptamine 1A receptor was evaluated using radioligand binding technique
50008535	6	ChEMBL_1680 (CHEMBL617040)	Stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.
50008535	2	ChEMBL_1704 (CHEMBL616911)	Displacement of [3H]5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells
50008535	1	ChEMBL_1617 (CHEMBL616642)	Displacement of [3H]5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.
50008535	3	ChEMBL_1679 (CHEMBL616669)	Stimulation of [35S]GTP-gamma-S, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor
50008535	4	ChEMBL_1702 (CHEMBL616909)	Displacement of [3H]5-HT binding from human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50008535	5	ChEMBL_223547 (CHEMBL845854)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50008536	1	ChEMBL_31865 (CHEMBL644094)	Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells
50008536	2	ChEMBL_30012 (CHEMBL641303)	Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.
50008536	3	ChEMBL_29458 (CHEMBL642187)	Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.
50008536	4	ChEMBL_30610 (CHEMBL642017)	Displacement of specific [125I]AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells
50008537	1	ChEMBL_221516 (CHEMBL841499)	Binding affinity against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein
50016220	6	ChEMBL_303455 (CHEMBL839715)	Binding affinity for melanocortin-3 receptor transfected in HEK 293 cells using [125I]NDP-MSH as radioligand
50008539	10	ChEMBL_195309 (CHEMBL799864)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR alpha
50008539	2	ChEMBL_197235 (CHEMBL801381)	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-gamma
50008539	12	ChEMBL_197080 (CHEMBL806009)	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral system, by using 5 nM [3H]targretin in a competitive binding assay
50008539	7	ChEMBL_197240 (CHEMBL803362)	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral system, by using 5 nM [3H]targretin in a competitive binding assay
50008539	8	ChEMBL_196913 (CHEMBL807375)	Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral system, by using 5 nM [3H]targretin in a competitive binding assay
50008539	1	ChEMBL_195329 (CHEMBL802572)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR alpha
50008539	4	ChEMBL_197076 (CHEMBL806664)	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-beta
50008539	6	ChEMBL_196330 (CHEMBL801567)	Inhibition of [3H]-ATRA binding to baculovirus expressed Retinoic acid receptor RAR gamma
50008539	11	ChEMBL_196310 (CHEMBL805025)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR gamma
50008539	3	ChEMBL_196907 (CHEMBL807369)	Transcriptional activity was evaluated in CV-1 cells transfected with expression vector for Retinoic acid receptor RXR-alpha
50008539	5	ChEMBL_195799 (CHEMBL802570)	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta
50016233	6	ChEMBL_304359 (CHEMBL839788)	Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes
50008539	9	ChEMBL_195819 (CHEMBL800283)	Inhibition of [3H]ATRA binding to baculovirus expressed Retinoic acid receptor RAR beta
50016233	7	ChEMBL_303005 (CHEMBL830244)	Inhibitory constant against human Opioid receptor delta 1 using [3H]diprenorphine as radio ligand
50016233	2	ChEMBL_302970 (CHEMBL827950)	Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand
50008541	1	ChEMBL_47004 (CHEMBL657998)	Binding affinity against Cannabinoid receptor 2 in mouse spleen
50008541	2	ChEMBL_46641 (CHEMBL658897)	Binding affinity against Cannabinoid receptor 1 in rat forebrain
50008544	1	ChEMBL_51111 (CHEMBL666549)	Binding affinity for human recombinant corticotropin releasing factor receptor 1
50008544	2	ChEMBL_51132 (CHEMBL664193)	Binding affinity was measured on rat Corticotropin releasing factor receptor 1
50016253	6	ChEMBL_306458 (CHEMBL829535)	In vitro inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay
50016253	5	ChEMBL_302188 (CHEMBL829428)	In vitro inhibitory concentration against Na v1.7 channel electrophysiology in inactivated state expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay
50008546	1	ChEMBL_51114 (CHEMBL664960)	Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells
50008547	1	ChEMBL_139910 (CHEMBL746846)	Allosteric potency against the dissociation of radioligand [3H]N-methylscopolamine from the porcine cardiac Muscarinic acetylcholine receptor M2
50016253	3	ChEMBL_306442 (CHEMBL829086)	In vivo inhibitory concentration against Na v1.7 channel expressed in HEK293 cells using Voltage/Ion Probe Reader (VIPR) assay
50016289	9	ChEMBL_303001 (CHEMBL830240)	Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide
50016289	7	ChEMBL_302985 (CHEMBL876371)	Inhibition constant against human cathepsin H using L-Arg-b-naphthalamide
50016290	5	ChEMBL_305843 (CHEMBL829584)	In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)
50016290	2	ChEMBL_306093 (CHEMBL830868)	In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease) at 20 uM
50016290	1	ChEMBL_305605 (CHEMBL828143)	In vitro inhibitory concentration SARS coronavirus main protease (SARS CoV 3C-like protease) 
50016302	6	ChEMBL_302347 (CHEMBL875196)	In vitro binding affinity against matrix metalloprotease 9
50016307	4	ChEMBL_302590 (CHEMBL839550)	In vitro binding affinity towards alpha-2b adrenergic receptor
50016312	2	ChEMBL_306492 (CHEMBL827995)	Inhibitory concentration against RNA dependent RNA polymerase Nonstructural protein 5B (HCV NS5B polymerase) in Hepatitis C virus
50016355	2	ChEMBL_306024 (CHEMBL833539)	Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase
50008551	1	ChEMBL_46817 (CHEMBL657061)	Tested for binding affinity to Cannabinoid receptor 1
50008552	1	ChEMBL_86897 (CHEMBL698407)	Binding affinity at histamine H3 receptor in rat cortical membranes by [3H]Nalpha-methylhistamine displacement.
50016360	3	ChEMBL_306226 (CHEMBL831134)	In vitro inhibitory concentration against Prostaglandin G/H synthase 1 (COX-1) in human whole blood
50016382	3	ChEMBL_305290 (CHEMBL832839)	Inhibitory concentration against prostaglandin G/H synthase 1 in human whole blood
50016388	17	ChEMBL_312258 (CHEMBL837258)	Inhibition of VEGF-stimulated human umbilical vein endothelial cell proliferation
50016388	16	ChEMBL_312234 (CHEMBL825076)	Inhibition of FGF-stimulated human umbilical vein endothelial cell proliferation
50016388	8	ChEMBL_305591 (CHEMBL828038)	Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)
50016388	18	ChEMBL_304719 (CHEMBL827159)	Inhibition of human protein kinase C alpha
50016388	6	ChEMBL_305649 (CHEMBL829507)	Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2)
50016388	19	ChEMBL_305849 (CHEMBL829589)	Inhibition of human vascular endothelial growth factor receptor 2 kinase activity
50016409	6	ChEMBL_300007 (CHEMBL852056)	Inhibition of [125I]NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells 
50016409	10	ChEMBL_303100 (CHEMBL829610)	Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells 
50016409	11	ChEMBL_302986 (CHEMBL829432)	Inhibition of [125I]NDP-MSH (radioligand) binding to the hMC4R stably expressed in HEK293 cells 
50016409	4	ChEMBL_303075 (CHEMBL828178)	Inhibition of [125I]-AgRP(83&#191;132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells
50018115	5	ChEMBL_2264662	Inhibition of CDK1 (unknown origin)
50016409	5	ChEMBL_303117 (CHEMBL829626)	Inhibition of [125I]-AgRP(83132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells; 
50016417	6	ChEMBL_306600 (CHEMBL832204)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells
50016417	7	ChEMBL_306601 (CHEMBL832205)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells
50016417	8	ChEMBL_306603 (CHEMBL832207)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells
50016417	9	ChEMBL_306602 (CHEMBL832206)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells
50016469	2	ChEMBL_305506 (CHEMBL831108)	Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease
50023050	1	ChEMBL_526382 (CHEMBL970064)	Inhibition of phorbol ester-induced ornithine decarboxylase in human MCF7 cells after 6 hrs
50023060	3	ChEMBL_526719 (CHEMBL971903)	Inhibition of PGHS1 assessed as conversion of arachidonic acid to prostaglandin
50023060	2	ChEMBL_526720 (CHEMBL971904)	Inhibition of PGHS2 assessed as conversion of arachidonic acid to prostaglandin
50023065	1	ChEMBL_526734 (CHEMBL971918)	Inhibition of human PAI1 using tissue type plasminogen activator substrate by plasmon resonance
50008557	1	ChEMBL_45646 (CHEMBL873194)	Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay
50008558	1	ChEMBL_159770 (CHEMBL763095)	The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.
50008560	2	ChEMBL_202793 (CHEMBL809573)	Inhibitory activity against binding of Src protein tyrosine kinase SH2 domain to biotinylated EPQY*EEIPI Peptide by ELISA.
50008560	1	ChEMBL_72369 (CHEMBL680932)	Inhibitory activity against binding of Growth factor receptor bound protein 2 to biotinylated KPFY*VNVEF Peptide by ELISA.
50008564	1	ChEMBL_55136 (CHEMBL668779)	The ability to inhibit rat liver Dihydrofolate reductase was tested
50008564	2	ChEMBL_53477 (CHEMBL665602)	The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was tested
50008564	4	ChEMBL_52990 (CHEMBL665259)	The ability to inhibit Pneumocystis carinii Dihydrofolate reductase was tested
50008564	3	ChEMBL_53496 (CHEMBL665620)	The ability to inhibit Toxoplasma gondii Dihydrofolate reductase was tested
50008565	1	ChEMBL_221784 (CHEMBL843059)	Inhibition of p60 c-Src tyrosine kinase
50016471	2	ChEMBL_306833 (CHEMBL831024)	Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016471	6	ChEMBL_310824 (CHEMBL825016)	Effective concentration (binding affinity) exhibited against human melanocortin receptor 1 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	21	ChEMBL_306832 (CHEMBL831023)	Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016471	22	ChEMBL_306834 (CHEMBL831025)	Inhibition concentration (binding affinity) against human melanocortin receptor 5 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016471	23	ChEMBL_310315 (CHEMBL833271)	Concentration of compound at 50% maximum cAMP accumulation in mouse melanocortin receptor (mMC4R)
50016471	9	ChEMBL_310827 (CHEMBL825019)	Effective concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	18	ChEMBL_310830 (CHEMBL833019)	Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	14	ChEMBL_310828 (CHEMBL825020)	Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP-alpha-MSH from the human receptors expressed in CHO cells)
50008565	5	ChEMBL_67051 (CHEMBL677889)	Inhibition of Epidermal growth factor receptor-dependent phosphorylation
50016471	16	ChEMBL_310310 (CHEMBL833266)	Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC1R)
50016471	17	ChEMBL_310831 (CHEMBL833020)	Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	24	ChEMBL_310296 (CHEMBL833125)	Concentration of compound at 50% maximum cAMP accumulation in rat melanocortin receptor (rMC4R)
50016471	25	ChEMBL_310295 (CHEMBL833124)	Concentration of compound at 50% maximum cAMP accumulation in dog melanocortin receptor (dMC4R)
50016471	13	ChEMBL_310313 (CHEMBL833269)	Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC4R)
50016471	11	ChEMBL_310314 (CHEMBL833270)	Concentration of compound at 50% maximum cAMP accumulation in human melanocortin receptor (hMC5R)
50016471	12	ChEMBL_310829 (CHEMBL833018)	Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 3 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	20	ChEMBL_306835 (CHEMBL831026)	Inhibition concentration (binding affinity) against mouse melanocortin receptor 4 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50008566	4	ChEMBL_106382 (CHEMBL717237)	Ability to displace [3H]LY-341,495 from recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.
50016490	4	ChEMBL_304855 (CHEMBL828414)	Inhibition of phosphodiesterase 5
50016490	3	ChEMBL_304851 (CHEMBL828410)	Inhibition of phosphodiesterase 1
50008566	2	ChEMBL_219038 (CHEMBL819587)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR7
50008566	7	ChEMBL_219028 (CHEMBL818796)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR5a
50008566	11	ChEMBL_219034 (CHEMBL819438)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR6
50008566	14	ChEMBL_105899 (CHEMBL717760)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human Metabotropic glutamate receptor 2
50008566	1	ChEMBL_219019 (CHEMBL818787)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR4a
50008566	9	ChEMBL_219041 (CHEMBL824614)	Inhibition of forskolin stimulated cAMP production in RGT cells expressing recombinant human mGluR8
50008567	1	ChEMBL_53372 (CHEMBL666617)	In vitro inhibition of human Dipeptidylpeptidase IV.
50008567	2	ChEMBL_157485 (CHEMBL765803)	Effect on the activity of prolyl endopeptidase (PEP) was evaluated at the IC50 concentration for DPP IV and
50008567	3	ChEMBL_157484 (CHEMBL765802)	Effect on the activity of prolyl endopeptidase (PEP) was evaluated at 1 mM concentration for DPP IV
50016508	3	ChEMBL_305495 (CHEMBL831098)	In vitro inhibition activity against cyclooxygenase 1 with the compound dissolved in DMSO
50016516	3	ChEMBL_305236 (CHEMBL832484)	Inhibitory concentration against 3'processing of HIV-1 Integrase
50016516	2	ChEMBL_305216 (CHEMBL832469)	Inhibitory concentration against integration of HIV-1 Integrase
50016518	2	ChEMBL_305910 (CHEMBL832625)	Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM
50016518	3	ChEMBL_305448 (CHEMBL830123)	Inhibitory activity against by hepatitis C virus NS5B polymerase
50016525	3	ChEMBL_306882 (CHEMBL828688)	Inhibition of 100 nM capsaicin effect on intracellular [Ca2+] concentration in HEK293 cells expressing human TRPV1
50016525	1	ChEMBL_306904 (CHEMBL828347)	Inhibition of 100 nM capsaicin effect on intracellular [Ca2+] concentration in HEK293 cells expressing human TRPV1; (weak agonist activity)
50016531	2	ChEMBL_306441 (CHEMBL829085)	In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay
50016531	3	ChEMBL_306312 (CHEMBL827705)	In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay
50016536	10	ChEMBL_305122 (CHEMBL831590)	Inhibition of Matrix metalloprotease-9
50016536	11	ChEMBL_305158 (CHEMBL832749)	Inhibition of Matrix metalloprotease-12
50016544	9	ChEMBL_304646 (CHEMBL828529)	Inhibitory concentration against MMP-14
50016550	14	ChEMBL_304287 (CHEMBL830083)	Effective concentration against human melanocortin 1 receptor in cAMP release assay
50016550	18	ChEMBL_306119 (CHEMBL830069)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells
50016550	16	ChEMBL_305443 (CHEMBL830119)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor
50016550	13	ChEMBL_305445 (CHEMBL830121)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor
50016550	19	ChEMBL_306329 (CHEMBL828673)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor expressed in CHO cells
50016550	9	ChEMBL_310493 (CHEMBL834067)	Effective concentration at human melanocortin 4 receptor in cAMP release assay
50016550	15	ChEMBL_305442 (CHEMBL830118)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor
50016550	17	ChEMBL_304289 (CHEMBL830085)	Effective concentration against human melanocortin 5 receptor in cAMP release assay
50016550	12	ChEMBL_305444 (CHEMBL830120)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor
50016550	5	ChEMBL_304288 (CHEMBL830084)	Effective concentration against human melanocortin 3 receptor in cAMP release assay
50016551	3	ChEMBL_304987 (CHEMBL828600)	Inhibitory concentration against Phosphodiesterase type 1
50016551	5	ChEMBL_304989 (CHEMBL828602)	Inhibitory concentration against Phosphodiesterase type 5
50016551	4	ChEMBL_304988 (CHEMBL828601)	Inhibitory concentration against Phosphodiesterase type 3
50008573	9	ChEMBL_2869 (CHEMBL617411)	Compound was tested for the displacement of [3H]5-HT from cloned human 5-hydroxytryptamine 2B receptor
50008573	5	ChEMBL_2303 (CHEMBL617088)	Compound was tested for the displacement of [125I]-DOI from clone human 5-hydroxytryptamine 2A receptor
50008573	10	ChEMBL_292 (CHEMBL615729)	Compound was tested for the displacement of [125I]DOI from clone human 5-hydroxytryptamine 2A receptor
50008573	7	ChEMBL_2868 (CHEMBL617410)	Compound was tested for the displacement of [3H]5-HT from clone human 5-hydroxytryptamine 2B receptor
50008573	2	ChEMBL_2721 (CHEMBL617281)	Compound was tested for the displacement of [125I]DOI from cloned human 5-hydroxytryptamine 2C receptor
50008573	4	ChEMBL_2867 (CHEMBL617409)	Compound was tested for the displacement of [3H]5-HT from clone human 5-hydroxytryptamine 2B receptor
50008573	8	ChEMBL_1170 (CHEMBL616115)	Compound was tested for the displacement of [3H]-8-OH- DPAT from rat brain 5-hydroxytryptamine 1A receptor
50008573	1	ChEMBL_1169 (CHEMBL616114)	Compound was tested for the displacement of [3H]-8-OH- DPAT from rat brain 5-hydroxytryptamine 1A receptor
50008573	6	ChEMBL_2304 (CHEMBL617089)	Compound was tested for the displacement of [125I]DOI from cloned human 5-hydroxytryptamine 2A receptor
50008573	3	ChEMBL_2722 (CHEMBL617282)	Compound was tested for the displacement of [125I]DOI from cloned human 5-hydroxytryptamine 2C receptor
50008575	2	ChEBML_159281	In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep
50008575	1	ChEBML_159758	In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human
50008577	1	ChEBML_155037	PDE4A activity assessed using human recombinant purified GST-PDE4A248
50016625	5	ChEMBL_304460 (CHEMBL832508)	Beta-secretase inhibitory activity as inhibition of secreted alkaline phosphatase in HEK293 cells expressing SEAP-APP fusion protein
50016625	1	ChEMBL_306748 (CHEMBL830893)	Inhibitory concentration against beta-site APP cleaving enzyme (BACE-1) by fluorescence resonance energy transfer assay
50016625	7	ChEMBL_303463 (CHEMBL838759)	Predicted binding affinity for beta secretase by linear interaction energy continuum electrostatics
50016625	6	ChEMBL_304462 (CHEMBL832510)	Beta-secretase inhibitory activity as inhibition of secreted alkaline phosphatase in HEK293 cells expressing SEAP-APP fusion protein
50016648	5	ChEMBL_321249 (CHEMBL881784)	Inhibitory activity against matrix metallopeptidase 9
50016648	6	ChEMBL_321248 (CHEMBL881783)	Inhibitory activity against matrix metallopeptidase 1
50016648	7	ChEMBL_321254 (CHEMBL880932)	Inhibitory activity against matrix metallopeptidase 13
50016648	8	ChEMBL_321449 (CHEMBL880257)	Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay
50008579	1	ChEBML_50706	In vitro inhibition of human Cytochrome P450 19A1
50008582	1	ChEBML_72349	Inhibitory concentration against Growth factor receptor bound protein 2 in MDA-MB-453 cells
50008583	1	ChEBML_162100	Inhibition of protein tyrosine phosphatase 1B (PTP1B) activity in 3,6-fluorescein diphosphate (FDP) assay
50008587	8	ChEBML_30528	Compound tested for the inhibition of Escherichia coli Alanine-tRNA synthetase
50016650	7	ChEMBL_321439 (CHEMBL880247)	Inhibitory concentration against human fibroblast activation protein alpha
50016654	4	ChEMBL_321506 (CHEMBL880566)	Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay
50008587	10	ChEMBL_88823 (CHEMBL698878)	Compound tested for the inhibition of human isoleucyl-tRNA synthetase
50016665	2	ChEMBL_321143 (CHEMBL872199)	Inhibition of strand transfer for HIV-1 integrase
50008587	4	ChEBML_98551	Compound tested for the inhibition of human Leucyl-tRNA synthetase
50008591	1	ChEBML_221825	In vitro thromboxane A2 antagonistic activity on aggregation of rabbit platelets induced by U-46,619 (4 uM)
50008591	2	ChEBML_225590	In vitro thromboxane A2 antagonistic activity on U-46619 (0.1 uM) induced contraction of rat aorta
50016666	5	ChEMBL_322388 (CHEMBL856252)	Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells
50016666	6	ChEMBL_321434 (CHEMBL880242)	Antagonist activity against human glucagon receptor expressed in CHO cell membranes using [125I]glucagon
50016666	7	ChEMBL_322365 (CHEMBL884187)	Inhibitory concentration against human glucagon-like peptide 1 receptor (hGLP1) mediated cAMP accumulation
50016673	2	ChEMBL_307380 (CHEMBL835394)	Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)
50008593	4	ChEBML_220724	Inhibitory activity against human chymase (h-chymase)
50008593	9	ChEMBL_158076 (CHEMBL764905)	Inhibitory activity against porcine pancreatic elastase (PPE)
50008593	6	ChEBML_158244	Inhibitory activity against porcine pancreatic trypsin (TRP)
50016673	4	ChEMBL_302463 (CHEMBL826329)	Inhibition constant for human matrix metalloprotease-9 (MMP-9)
50008593	10	ChEMBL_220724 (CHEMBL844230)	Inhibitory activity against human chymase (h-chymase)
50008596	1	ChEBML_225422	Inhibitory activity against human thrombin was determined
50008597	1	ChEBML_157469	Inhibition of Prolyl endopeptidase
50008598	3	ChEBML_161075	Inhibitory activity against Varicella Zoster Virus (VZV) protease was determined using quenched fluorescence assay
50008598	1	ChEBML_43071	Inhibitory activity against cytomegalovirus (CMV) protease was determined using quenched fluorescence assay
50008598	2	ChEBML_82457	Inhibitory activity against herpes simplex virus type 2 (HSV-2) protease was determined using quenched fluorescence assay
50016673	3	ChEMBL_307381 (CHEMBL835395)	Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9)
50008602	1	ChEBML_40107	Binding affinity towards human bradykinin B2 receptor (membranes from Cos-7 cells expressing human B2 receptor) using [3H]-BK as radioligand
50008604	2	ChEMBL_143829 (CHEMBL872671)	Functional Neuropeptide Y receptor type 1 antagonism was evaluated by its ability to reverse NPY induced inhibition of forskolin-stimulated cyclic AMP production in SK-N-MC cells
50008606	6	ChEMBL_200682 (CHEMBL807094)	In vitro binding affinity was evaluated against human Somatostatin receptor type 2 in experiment 1
50008606	4	ChEBML_200690	In vitro binding affinity was evaluated against mouse Somatostatin receptor type 2 (mSSTR-2)
50008606	1	ChEMBL_200844 (CHEMBL807054)	In vitro binding affinity was evaluated against human Somatostatin receptor type 4 (hSSTR-4)
50008606	9	ChEBML_200862	In vitro binding affinity was evaluated against human Somatostatin receptor type 5 (hSSTR-5)
50008606	3	ChEBML_200851	In vitro binding affinity was evaluated against human Somatostatin receptor type 5 (hSSTR-5)
50008606	8	ChEBML_200701	In vitro binding affinity was evaluated against human Somatostatin receptor type 3 (hSSTR-3)
50008606	2	ChEBML_200665	In vitro binding affinity was evaluated against human Somatostatin receptor type 1 (hSSTR-1)
50023086	1	ChEMBL_527117 (CHEMBL975727)	Inhibition of rat DNA polymerase beta assessed as [3H]TTP incorporation after 60 mins by scintillation counting in presence of bovine serum albumin
50008610	1	ChEBML_162111	Inhibitory potency for the protein tyrosine phosphatase (PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate
50008611	2	ChEBML_153717	Binding affinity for Peroxisome proliferator activated receptor alpha (PPAR alpha)
50008611	1	ChEBML_154541	Binding affinity for Peroxisome proliferator activated receptor gamma (PPAR gamma)
50016685	11	ChEMBL_317596 (CHEMBL825592)	Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 (K103N/Y181C) mutant reverse transcriptase (1-2 nM) by using [3H]-dGTP (71 nM) as substrate, 50 mM Tris/HCl buffer, pH 7.8, incubated for 1 hr at 37 degrees C
50008614	3	ChEMBL_549 (CHEMBL615569)	Compound was evaluated for competitive inhibition of 4-hydroxyphenylpyruvate dioxygenase (HPPD) (complete inhibition was observed at a concentration of 0.5-1.0 mM)
50008614	1	ChEMBL_546 (CHEMBL615566)	Inhibitory activity on pig liver 4-hydroxyphenylpyruvate dioxygenase (HPPD) was evaluated
50008614	2	ChEBML_549	Compound was evaluated for competitive inhibition of 4-hydroxyphenylpyruvate dioxygenase (HPPD) (complete inhibition was observed at a concentration of 0.5-1.0 mM)
50016685	1	ChEMBL_317566 (CHEMBL825231)	Effective concentration of the compound towards HIV-1 K103N/Y181C mutant reverse transcriptase activity by 50% measured in cellular assay
50016685	4	ChEMBL_306910 (CHEMBL829189)	Inhibitory activity of compound dissolved in DMSO was determined against HIV-1 wild type reverse transcriptase (1-2 nM) by using [3H]dGTP (71 nM) as substrate, 50 mM Tris/HCl buffer, pH 7.8, incubated for 1 h at 37 degrees C
50016685	8	ChEMBL_304323 (CHEMBL829295)	Effective concentration towards HIV-1 wild type reverse transcriptase activity by 50% measured in cellular assay
50016685	12	ChEMBL_306873 (CHEMBL828679)	Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-quinoline (BQ) as fluorogenic substrate
50008619	3	ChEBML_195319	Ability to displace 3[H](all-E)-retinoic acid (5 nM) from alpha retinoic acid receptor (alpha RAR) using transactivation assay
50008619	1	ChEBML_195809	Ability to displace 3[H](all-E)-retinoic acid (5 nM) from beta retinoic acid receptor (beta RAR) using transactivation assay
50008619	2	ChEBML_196320	Ability to displace 3[H](all-E)-retinoic acid (5 nM) from Retinoic acid receptor gamma using transactivation assay
50008622	6	ChEBML_196323	Inhibition of [3H]RA binding to retinoic acid receptor RAR gamma
50008622	1	ChEBML_195812	Inhibition of [3H]RA binding to retinoic acid receptor RAR beta
50008622	4	ChEBML_196910	Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma
50008622	5	ChEBML_197238	Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma
50008622	2	ChEBML_197079	Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta
50008622	3	ChEBML_195323	Inhibition of [3H]RA binding to retinoic acid receptor RAR alpha
50008628	1	ChEBML_63216	Ability to displace [125I]endothelin-1 from endothelin A receptor in rat aorta membranes
50008628	2	ChEBML_63863	Ability to displace [125I]endothelin-1 from endothelin B receptor in porcine kidney membranes
50008629	1	ChEBML_71977	In vitro inhibition of rat brain cytosol Geranylgeranyl transferase type I
50016692	2	ChEMBL_320788 (CHEMBL884743)	Inhibitory constant against NS3 serine protease of hepatitis c virus
50016701	1	ChEMBL_321114 (CHEMBL882880)	Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay 
50016701	7	ChEMBL_321115 (CHEMBL882881)	Effective concentration in recombinant human LXRalpha ligand binding domain in homogeneous time-resolved fluorescence assay 
50016701	4	ChEMBL_321113 (CHEMBL882879)	Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor
50016701	5	ChEMBL_321183 (CHEMBL882912)	Inhibitory concentration in LXRSPA alpha binding assay
50016701	8	ChEMBL_321167 (CHEMBL882896)	Inhibitory concentration in LXRSPA beta binding assay
50016701	3	ChEMBL_321112 (CHEMBL882878)	Effective concentration in transactivation assay using a chimeric LXR construct in HEK-293 cells for LXRbeta receptor
50008634	2	ChEMBL_159275 (CHEMBL764259)	IC50 against ovine Prostaglandin G/H synthase 1
50008634	5	ChEMBL_44004 (CHEMBL655570)	IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.
50008634	3	ChEMBL_43995 (CHEMBL655562)	IC50 against recombinant human Prostaglandin G/H synthase 2
50016712	5	ChEMBL_320900 (CHEMBL872399)	Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min
50008635	2	ChEMBL_43996 (CHEMBL655563)	Inhibition of recombinant human prostaglandin G/H synthase 2 (COX-2)
50016712	6	ChEMBL_321013 (CHEMBL871845)	Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine
50008635	3	ChEMBL_44005 (CHEMBL655571)	IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line
50016719	4	ChEMBL_321125 (CHEMBL884980)	Concentration required to antagonized capsaicin-induced calcium uptake at the transient receptor potential cation channel (subfamily V member 1) expressed in chinese hamster ovary cells
50016719	1	ChEMBL_321588 (CHEMBL884696)	Concentration required to inhibit [3H]-RTX radioligand binding towards transient receptor potential cation channel (subfamily V, member 1) expressed in chinese hamster ovary cells
50016725	2	ChEMBL_321416 (CHEMBL881947)	Inhibitory concentration against recombinant human immunodeficiency virus 1 reverse transcriptase
50016748	27	ChEMBL_320775 (CHEMBL884730)	Affinity towards cloned Opioid receptor delta 1
50016748	20	ChEMBL_320822 (CHEMBL872357)	Affinity towards cloned human 5-hydroxytryptamine 1D receptor
50016748	28	ChEMBL_320886 (CHEMBL884811)	In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand
50016748	19	ChEMBL_320821 (CHEMBL872356)	Affinity towards cloned human 5-hydroxytryptamine 1B receptor
50016748	17	ChEMBL_320820 (CHEMBL872355)	Affinity towards cloned human 5-hydroxytryptamine 1A receptor
50016752	8	ChEMBL_320872 (CHEMBL884797)	Binding affinity towards human alpha-2B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016755	10	ChEMBL_321195 (CHEMBL882119)	Inhibitory concentration against MMP-14
50016755	11	ChEMBL_321228 (CHEMBL881228)	Inhibitory concentration against Aggrecanase 1
50016758	5	ChEMBL_321479 (CHEMBL880420)	Binding affinity against human opioid receptor delta 1 expressed in HEK293 cells using [3H]DDPDE radioligand
50016758	6	ChEMBL_321553 (CHEMBL881967)	Binding affinity determined by the ability to compete with [125I]-Tyr14- nociceptin from binding to human opiate receptor-like 1 expressed in HEK293 cells
50016778	10	ChEMBL_321425 (CHEMBL881956)	Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 7 (TAK1)
50016789	2	ChEMBL_321537 (CHEMBL880597)	Inhibition of recombinant HIV-1 reverse transcriptase activity
50016802	4	ChEMBL_328425 (CHEMBL863966)	Inhibitory activity against recombinant seprase
50016803	2	ChEMBL_321440 (CHEMBL880248)	Inhibitory concentration against multidrug resistance associated protein 1
50008640	1	ChEMBL_209591 (CHEMBL814726)	In vitro activity on thromboxane A2 receptor antagonism in gel filtered human platelets.
50008640	2	ChEMBL_209930 (CHEMBL813721)	In vitro activity on thromboxane A2 synthase inhibition in gel filtered human platelets.
50008641	1	ChEMBL_90244 (CHEMBL697185)	Inhibition of Ins(1,3,4,5)P4-PtdIns(3,4,5)P3-specific receptor from Pig cerebellum membrane
50016817	7	ChEMBL_322134 (CHEMBL885193)	Effective concentration for cAMP accumulation mediated by human Melanocortin 4 receptor in HEK293 cells
50016817	8	ChEMBL_321453 (CHEMBL879483)	Binding affinity towards human Melanocortin 3 receptor using radiolabeled NDP-MSH displacement
50016817	6	ChEMBL_321452 (CHEMBL879482)	Binding affinity towards human Melanocortin 1 receptor using radiolabeled NDP-MSH displacement
50016817	3	ChEMBL_321454 (CHEMBL879484)	Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement
50016836	2	ChEMBL_321235 (CHEMBL881770)	Inhibitory concentration against HIV-1 integrase
50016848	5	ChEMBL_321486 (CHEMBL880427)	Concentration required to inhibit PGD-2 (10 nM) stimulated [Ca2+] flux in CHO cells expressing human CRTH2 receptor
50016848	1	ChEMBL_320864 (CHEMBL884789)	Binding affinity towards human CRTH2 receptor expressed in CHO cells; range 25 nM to 8 uM
50016848	8	ChEMBL_320834 (CHEMBL871676)	Binding affinity towards human CRTH2 receptor expressed in CHO cells
50016848	2	ChEMBL_322391 (CHEMBL856255)	Concentration required to inhibit PGD-2 induced change in the shape of human eosinophils expressing CRTH2
50016848	4	ChEMBL_320913 (CHEMBL881340)	In vitro binding affinity (agonistic) towards human CRTH2 receptor expressed in CHO cells; range 15 to 25 nM
50016848	6	ChEMBL_322356 (CHEMBL884178)	Concentration required to inhibit PGD-2 induced chemotaxis of Th2 cells expressing CRTH2
50016859	2	ChEMBL_321538 (CHEMBL880598)	Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)
50016876	3	ChEMBL_321428 (CHEMBL880236)	Inhibitory concentration against human cyclooxygenase-1 evaluated by enzyme linked immunosorbent assay
50016878	5	ChEMBL_326673 (CHEMBL868735)	Inhibitory activity against IR
50016888	1	ChEMBL_326599 (CHEMBL863464)	Inhibitory activity against MRP1-mediated LTC4 uptake into membrane vesicles from HeLa-T5 cells expressing MRP1
50016888	3	ChEMBL_326598 (CHEMBL863463)	Inhibitory activity against MRP1 in HeLa-T5 cells
50016895	5	ChEMBL_325674 (CHEMBL863228)	Agonistic activity at delta opioid receptor
50008644	5	ChEMBL_156314 (CHEMBL762547)	Inhibition of canine adrenal gland Phosphodiesterase 2
50016906	12	ChEMBL_326962 (CHEMBL853297)	Inhibitory activity against human FXa
50016917	27	ChEMBL_328615 (CHEMBL864487)	Inhibitory activity against lck
50016917	25	ChEMBL_328646 (CHEMBL863895)	Inhibitory activity against PKA
50016917	26	ChEMBL_328644 (CHEMBL863893)	Inhibitory activity against PKC
50016917	24	ChEMBL_328640 (CHEMBL863889)	Inhibitory activity against p38
50016917	28	ChEMBL_328637 (CHEMBL863886)	Inhibitory activity against IKK1
50016917	13	ChEMBL_328617 (CHEMBL863865)	Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood
50016939	2	ChEMBL_321370 (CHEMBL881514)	Inhibitory concentration required to inhibit recombinant HIV-1 reverse transcriptase 
50016953	5	ChEMBL_328876 (CHEMBL859855)	Displacement of [3H]DPDPE from cloned human delta opioid receptor
50016953	3	ChEMBL_328881 (CHEMBL860461)	Agonist potency assessed by [35S]GTP-gammaS binding assay in C6 Glioma cells expressing cloned human delta opioid receptor
50016964	2	ChEMBL_327891 (CHEMBL868733)	Inhibitory activity against heparanase from human platelets
50008645	2	ChEMBL_202097 (CHEMBL814032)	Compound was measured for the inhibition of rat microsomal squalene synthase enzyme
50008645	1	ChEMBL_148908 (CHEMBL756145)	Inhibition of compound was measured on rat microsomal Oxidosqualene-lanosterol cyclase
50008646	6	ChEMBL_214419 (CHEMBL820283)	Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells
50008646	3	ChEMBL_149052 (CHEMBL761407)	The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Oxytocin receptor
50008646	2	ChEMBL_214688 (CHEMBL817651)	Compound was tested for its ability to displace [125I]- HO-LVA ligand from human Vasopressin V1b receptor in the membranes of CHO cells
50008646	5	ChEMBL_214847 (CHEMBL824689)	Compound was tested for its ability to of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V2 receptor
50008646	1	ChEMBL_214689 (CHEMBL817652)	The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V1b receptor
50008646	4	ChEMBL_214856 (CHEMBL818334)	The inhibition constant (Ki(nM)) by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V2 receptor
50008648	7	ChEBML_221160	Inhibitory activity against p38-alpha kinase
50016966	2	ChEMBL_328004 (CHEMBL862736)	Inhibitory activity against CF40.NS3pro from Dengue virus type 2
50016970	5	ChEMBL_329241 (CHEMBL865813)	Inhibition of [3H]glycine uptake in cells transfected with human GlyT1 cDNA
50016970	6	ChEMBL_329242 (CHEMBL865815)	Inhibition of [3H]glycine uptake in cells transfected with human GlyT2 cDNA
50008648	11	ChEMBL_73000 (CHEMBL857379)	Binding affinity towards glucagon receptor determined by reduction in binding of 125 I-glucagon to the murine glucagon receptor (mGLUR) expressed on CHO cells in presence of Mg+2 at 1 uM
50048479	2	ChEMBL_210703 (CHEMBL873894)	Compound was tested for inhibition of human mast cell tryptase
50008649	1	ChEBML_143824	Ability to displace [125I]-peptide YY binding to cloned human Neuropeptide Y receptor type 1 expressed in AV-12 cells
50016972	2	ChEMBL_327900 (CHEMBL869912)	Inhibitory activity against heparanase from human platelets
50016973	6	ChEMBL_327702 (CHEMBL860255)	Displacement of [3H]glycine from human GlyT1 by radiometric assay
50016973	7	ChEMBL_327703 (CHEMBL860256)	Displacement of [3H]glycine from human GlyT2 by radiometric assay
50008657	1	ChEBML_45622	Compound was tested for its inhibitory activity against carboxypeptidase A (CPA)
50008659	1	ChEBML_70297	Inhibitory activity against farnesyltransferase (FT) using SPA assay
50008663	2	ChEBML_208353	In vitro inhibition of human thrombin.
50008664	5	ChEBML_225937	Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB
50008665	1	ChEBML_38784	Agonist activity towards Beta-3 adrenergic receptor
50008665	3	ChEBML_37263	Binding affinity towards Beta-1 adrenergic receptor in CHO cells expressing the cloned human receptor using 125I]iodocyanopindolol
50016977	2	ChEMBL_321441 (CHEMBL880249)	Inhibitory concentration required for antiviral activity against SARS-CoV 3CLpro protease
50016995	4	ChEMBL_321411 (CHEMBL881942)	In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer
50016995	5	ChEMBL_321311 (CHEMBL881407)	Strand transfer inhibitory activity against HIV-1 integrase
50016995	2	ChEMBL_321394 (CHEMBL880629)	In vitro concentration required to inhibit the HIV-1 integrase strand transfer
50008666	1	ChEBML_38785	Agonist activity towards Beta-3 adrenergic receptor
50008666	4	ChEBML_37264	Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 125I]iodocyanopindolol
50016995	1	ChEMBL_321433 (CHEMBL880241)	In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer
50008666	2	ChEMBL_38785 (CHEMBL653159)	Agonist activity towards Beta-3 adrenergic receptor
50008669	1	ChEBML_209092	Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition
50008670	3	ChEBML_215886	Inhibition constant against beta-galactosidase enzyme of jack bean was reported
50008672	1	ChEBML_79459	Inhibitory activity against HIV-1 IIIB in CEM-SS infected cells (Experiment 1)
50008675	3	ChEBML_212340	In vitro for inhibition of purified bovine trypsin.
50008675	5	ChEMBL_48023 (CHEMBL661597)	In vitro inhibition of purified human C1r protease.
50017003	3	ChEMBL_328396 (CHEMBL864569)	Inhibitory activity against HCV 4a NS5B full length RNA dependent RNA polymerase
50017003	1	ChEMBL_328397 (CHEMBL863960)	Inhibitory activity against delta-21 C-terminally truncated HCV 1b (BB7 isolate) RNA dependent RNA polymerase
50008679	2	ChEBML_207975	Inhibition of human Thrombin
50008679	1	ChEBML_212705	In vitro inhibitory activity against human trypsin
50017010	18	ChEMBL_334422 (CHEMBL862503)	Inhibition of C5a mediated human eosinophil chemotaxis
50017010	15	ChEMBL_334417 (CHEMBL864331)	cAMP elevation in U937 cells
50017010	1	ChEMBL_334419 (CHEMBL854101)	Inhibition of release of LTE4 in human whole blood
50017010	21	ChEMBL_334410 (CHEMBL864320)	Inhibition of PDE5
50017010	20	ChEMBL_334421 (CHEMBL862502)	Inhibition of LTB4 mediated human eosinophil chemotaxis
50017010	17	ChEMBL_334424 (CHEMBL862505)	Inhibition of Eotaxin mediated by human eosinophil chemotaxis
50017010	19	ChEMBL_334423 (CHEMBL862504)	Inhibition of PAF mediated human eosinophil chemotaxis
50017010	22	ChEMBL_334420 (CHEMBL854102)	Inhibition of release of TNF alpha in human whole blood
50017010	16	ChEMBL_334405 (CHEMBL864316)	Inhibition of PDE3
50017010	12	ChEMBL_334407 (CHEMBL864317)	Inhibition of PDE4B
50017010	23	ChEMBL_334415 (CHEMBL864325)	Inhibition of PDE11
50017010	24	ChEMBL_334409 (CHEMBL864319)	Inhibition of PDE4D
50017012	5	ChEMBL_333862 (CHEMBL864091)	Activity at LPA1 receptor transfected RH7777 cells
50017012	6	ChEMBL_333864 (CHEMBL865902)	Activity at LPA3 receptor transfected RH7777 cells
50017012	7	ChEMBL_333865 (CHEMBL865903)	Inhibition of recombinant ATX from transfected HEK293 cells
50017022	5	ChEMBL_329786 (CHEMBL864623)	Displacement of [alpha-32P]GTP from recombinant HCV NS5B RNA dependent RNA polymerase
50017022	6	ChEMBL_329787 (CHEMBL854378)	Inhibition of HCV NS3 helicase
50017022	7	ChEMBL_329788 (CHEMBL854379)	Inhibition of HIV reverse transcriptase
50017027	15	ChEMBL_327535 (CHEMBL854350)	Inhibitory activity against PDE1 by scintillation proximity assay
50017027	16	ChEMBL_327542 (CHEMBL854357)	Inhibitory activity against PDE5 by scintillation proximity assay
50017027	14	ChEMBL_327537 (CHEMBL854352)	Inhibitory activity against PDE3 by scintillation proximity assay
50017027	17	ChEMBL_327547 (CHEMBL854362)	Inhibitory activity against PDE11 by scintillation proximity assay
50017028	3	ChEMBL_329196 (CHEMBL863436)	Inhibition of thrombin-induced platelet aggregation in human
50017029	4	ChEMBL_327426 (CHEMBL863476)	Inhibitory activity against COX1 in canine whole blood
50008681	2	ChEBML_70138	Compound was evaluated for concentration that caused 50% inhibition of bovine Farnesyltransferase
50008681	1	ChEBML_70751	Compound was evaluated for concentration that caused 50% inhibition of yeast Farnesyltransferase (expressed as a GST fusion protein in Escherichia coli)
50008682	1	ChEBML_219283	Ability to inhibit yeast glyoxalase I enzyme in 0.05 M phosphate buffer, pH 6.6, 30 degree C
50008684	2	ChEBML_215988	Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets
50008687	2	ChEBML_212700	Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate
50008687	3	ChEBML_155062	Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate
50008687	1	ChEBML_207969	Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate
50008687	4	ChEBML_69655	Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate
50008688	1	ChEBML_139845	Binding affinity towards human muscarinic M1 receptor in CHO-KI cells using [3H]- QNB as radioligand
50008688	2	ChEBML_140092	Binding affinity towards human muscarinic M2 receptor in CHO-KI cells using [3H]- QNB as radioligand
50008689	1	ChEBML_141332	In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells
50008691	5	ChEMBL_161709 (CHEMBL770239)	In vitro inhibition of [3H]GGPP incorporation into H-Ras-CVLL by Geranylgeranyl transferase type I
50008691	2	ChEMBL_129744 (CHEMBL739454)	In vivo for inhibition of farnesylation based on the inhibition of H-Ras processing.
50008691	1	ChEMBL_71821 (CHEMBL683652)	In vitro inhibition of [3H]GGPP incorporation into H-Ras-CVLL by Geranylgeranyl transferase type I
50017037	7	ChEMBL_327761 (CHEMBL870569)	Displacement of [3H]DPDPE from delta opioid receptor
50008691	6	ChEMBL_69986 (CHEMBL682932)	In vitro inhibition of [3H]FPP incorporation into H-Ras-CVLS by Farnesyl transferase
50008691	3	ChEMBL_69985 (CHEMBL682931)	In vitro inhibition of [3H]FPP incorporation into H-Ras-CVLS by Farnesyl transferase
50017037	4	ChEMBL_327763 (CHEMBL871133)	Agonistic efficacy at human delta opioid receptor by [35S]GTP-gammaS binding assay
50017064	5	ChEMBL_430991 (CHEMBL916419)	Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization
50008693	3	ChEMBL_106114 (CHEMBL713707)	Inhibitory activity against Matrix metalloprotease-1
50008695	7	ChEMBL_210762 (CHEMBL819125)	Inhibitory concentration against Urokinase-type plasminogen activator
50008695	14	ChEMBL_208522 (CHEMBL813617)	Inhibitory concentration against thrombin.
50008695	15	ChEMBL_208229 (CHEMBL815708)	Inhibitory concentration against Tissue type plasminogen activator
50008695	9	ChEMBL_208234 (CHEMBL815713)	Compound was evaluated for the inhibition of Tissue type plasminogen activator (tissue plasminogen activator)
50008695	6	ChEMBL_212323 (CHEMBL818250)	Inhibitory concentration against trypsin.
50008695	16	ChEMBL_49335 (CHEMBL660851)	Inhibitory concentration against Coagulation factor Xa
50008695	12	ChEMBL_210756 (CHEMBL818949)	Inhibitory concentration against Urokinase-type plasminogen activator
50008695	13	ChEMBL_155605 (CHEMBL766340)	Inhibitory concentration against plasmin
50008695	10	ChEMBL_208131 (CHEMBL818160)	Inhibitory concentration against thrombin.
50008695	4	ChEMBL_49334 (CHEMBL660850)	Inhibitory concentration against Coagulation factor Xa
50008695	1	ChEMBL_155594 (CHEMBL759969)	Inhibitory concentration against plasmin
50008695	5	ChEMBL_48472 (CHEMBL663034)	Inhibitory concentration against coagulation factor VIIa
50008695	2	ChEMBL_48474 (CHEMBL663036)	Inhibitory concentration against coagulation factor VIIa
50008695	8	ChEMBL_208235 (CHEMBL815714)	Inhibitory concentration against Tissue type plasminogen activator
50008696	1	ChEMBL_208313 (CHEMBL812832)	Binding affinity towards thrombin was determined
50017081	2	ChEMBL_332849 (CHEMBL859228)	Antiviral activity against HIV1 integrase
50017089	6	ChEMBL_334536 (CHEMBL862519)	Binding affinity to MMP9
50017091	5	ChEMBL_329851 (CHEMBL869921)	Inhibition of lysophospholipase D autotaxin
50017091	6	ChEMBL_329845 (CHEMBL862794)	Activity at LPA2 receptor in RH7777 rat hepatoma cell line
50017091	7	ChEMBL_329844 (CHEMBL862793)	Activity at LPA1 receptor in RH7777 rat hepatoma cell line
50017091	8	ChEMBL_329846 (CHEMBL862795)	Activity at LPA3 receptor in RH7777 rat hepatoma cell line
50017095	2	ChEMBL_334864 (CHEMBL871167)	Inhibition of thrombin-induced platelet aggregation
50017104	6	ChEMBL_334150 (CHEMBL868301)	Inhibition of recombinant human cathepsin H in a fluorescence assay
50017107	5	ChEMBL_349446 (CHEMBL865698)	Displacement of [125I]NDP-alpha-MSH from cloned human MC3R expressed in HEK293 cell
50017107	6	ChEMBL_349444 (CHEMBL865696)	Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells
50017118	5	ChEMBL_333515 (CHEMBL866454)	Displacement of [3H]diprenorphine from human cloned delta opioid receptor
50017118	6	ChEMBL_333513 (CHEMBL866380)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor
50017118	1	ChEMBL_333516 (CHEMBL866455)	Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor
50017142	2	ChEMBL_326726 (CHEMBL858719)	Inhibitory activity against DNA-dependent protein kinase receptor
50008702	1	ChEMBL_45175 (CHEMBL662660)	Compound was tested for the inhibitory activity against human liver cathepsin D
50008702	2	ChEMBL_154909 (CHEMBL764684)	Inhibitory activity against plasmepsin-2
50017160	3	ChEMBL_339708 (CHEMBL867170)	Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1
50017160	2	ChEMBL_339709 (CHEMBL867171)	Inhibition of uptake of [14C]glycine into human JAR cells expressing human GlyT1 at 3 uM
50017183	1	ChEMBL_326392 (CHEMBL867583)	Inhibition of 3'-processing catalytic activity HIV1 integrase
50017183	3	ChEMBL_326393 (CHEMBL867584)	Inhibition of strand transfer catalytic activity HIV1 integrase
50020896	1	ChEMBL_2421882	Binding affinity to androgen receptor (unknown origin) assessed as inhibition constant
50020896	2	ChEMBL_2421886	Inhibition of androgen receptor (unknown origin) by KINOMEscan analysis
50020896	3	ChEMBL_2421887	Antagonist activity at AR in human LNCaP cells incubated for 24 hrs by Western blotting analysis
50008711	2	ChEMBL_106319 (CHEMBL714731)	Binding affinity for matrix metalloprotease-1
50008711	1	ChEMBL_104736 (CHEMBL710736)	Binding affinity for matrix metalloprotease-3
50008711	3	ChEMBL_104727 (CHEMBL710728)	Inhibitory concentration against Matrix metalloprotease-3
50008713	4	ChEMBL_106208 (CHEMBL713197)	Inhibitory activity against Metabotropic glutamate receptor 2 in the rat HEK 293 cells.
50008713	3	ChEMBL_105733 (CHEMBL716133)	Inhibitory activity against Metabotropic glutamate receptor 1 in the rat LLC-PK1/HEK 293 cells.
50008713	2	ChEMBL_106040 (CHEMBL717363)	Inhibitory activity against human Metabotropic glutamate receptor 2
50008713	1	ChEMBL_105732 (CHEMBL716132)	Inhibitory activity against Metabotropic glutamate receptor 1 in the rat LLC-PK1/HEK 293 cells
50017192	2	ChEMBL_337839 (CHEMBL866524)	Inhibition of peripheral nerve sodium channel NaV1.7
50017193	3	ChEMBL_337949 (CHEMBL862163)	Inhibition of PDE1
50017193	4	ChEMBL_337951 (CHEMBL862165)	Inhibition of PDE5
50017215	8	ChEMBL_335087 (CHEMBL859204)	Activity against human MC5R by cAMP accumulation
50017215	9	ChEMBL_335079 (CHEMBL859196)	Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells
50017215	10	ChEMBL_335077 (CHEMBL859194)	Displacement of [125I]NDP-alpha-MSH from human MC1BR expressed in CHO cells
50017215	2	ChEMBL_335083 (CHEMBL859200)	Activity against human MC4R by cAMP accumulation
50017215	6	ChEMBL_335085 (CHEMBL859202)	Activity against human MC3R by cAMP accumulation
50017215	1	ChEMBL_335081 (CHEMBL859198)	Activity against human MC1BR by cAMP accumulation
50017215	11	ChEMBL_335078 (CHEMBL859195)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells
50008715	5	ChEMBL_937 (CHEMBL616302)	In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor
50008715	3	ChEMBL_3532 (CHEMBL619199)	Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding
50008715	2	ChEMBL_3532 (CHEMBL619199)	Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]GTP-gamma-S, binding
50008715	4	ChEMBL_939 (CHEMBL616118)	In vitro inhibition of [3H]- 8-OH-DPAT binding to cloned cell line containing human 5-hydroxytryptamine 1A receptor (Experiment 2)
50017215	12	ChEMBL_335080 (CHEMBL859197)	Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells
50008720	4	ChEMBL_219030 (CHEMBL818798)	Compound was tested for the stimulation of Phosphoinositide (PI) hydrolysis in BHK cells expressing mGluR5a receptor
50017224	2	ChEMBL_325410 (CHEMBL858655)	Inhibitory activity against type 1 17beta-HSD expressed in transfected HEK293 cells
50017225	26	ChEMBL_325235 (CHEMBL861596)	Inhibitory activity against GSK3
50017225	27	ChEMBL_325237 (CHEMBL861598)	Inhibitory activity against IRK
50017225	25	ChEMBL_325234 (CHEMBL861595)	Inhibitory activity against PKA
50017225	23	ChEMBL_325239 (CHEMBL861600)	Inhibitory activity against Casein Kinase 1
50017225	16	ChEMBL_325210 (CHEMBL861463)	Inhibitory activity against PDGFRbeta kinase
50017225	28	ChEMBL_325211 (CHEMBL861464)	Antiproliferative activity against PDGF-BB stimulated HCASMC
50017225	24	ChEMBL_325222 (CHEMBL861476)	Inhibitory activity against VEGFR
50017241	5	ChEMBL_339210 (CHEMBL866557)	Binding affinity to MC3 receptor
50017241	6	ChEMBL_339212 (CHEMBL866559)	Agonist potency at MC4 receptor
50008725	2	ChEBML_208364	In vitro inhibitory activity against human thrombin.( Fast moving component on HPLC)
50008725	1	ChEMBL_208490 (CHEMBL811965)	In vitro inhibitory activity against human thrombin.(Slow moving component on HPLC)
50017241	2	ChEMBL_339211 (CHEMBL866558)	Binding affinity to MC4 receptor
50008726	1	ChEBML_159765	In vitro inhibitory concentration against recombinant human Prostaglandin G/H synthase 2 obtained from baculovirus
50017248	3	ChEMBL_336080 (CHEMBL865931)	Inhibition of COX2 by canine whole blood assay
50017280	10	ChEMBL_329828 (CHEMBL862791)	Binding affinity to MMP14
50017280	11	ChEMBL_329822 (CHEMBL862785)	Binding affinity to MMP9
50017280	12	ChEMBL_329827 (CHEMBL862790)	Binding affinity to MMP11
50017283	54	ChEMBL_329940 (CHEMBL868801)	Binding affinity to muscarinic receptor
50017283	55	ChEMBL_329920 (CHEMBL868781)	Binding affinity to vasopressin 1 receptor
50017283	58	ChEMBL_329913 (CHEMBL868770)	Binding affinity to adrenergic beta-2 receptor
50017283	36	ChEMBL_330004 (CHEMBL858881)	Agonistic activity at human 5HT1A in CHO cells by the inhibition of forskolin-stimulated cAMP accumulation
50017283	57	ChEMBL_329909 (CHEMBL869446)	Binding affinity to adrenergic alpha-1 receptor
50017283	59	ChEMBL_330005 (CHEMBL858882)	Binding affinity to adrenergic alpha-2B receptor
50017283	60	ChEMBL_330003 (CHEMBL858880)	Agonistic activity at human 5HT1A receptor by [35S]GTP-gamma-S binding
50017283	61	ChEMBL_329931 (CHEMBL868792)	Binding affinity to Delta opioid receptor
50017283	56	ChEMBL_329906 (CHEMBL869443)	Binding affinity to adenosine A2 receptor
50017284	4	ChEMBL_330030 (CHEMBL853015)	Inhibition of cytosolic phospholipase A2-alpha in GLU micelle assay
50008729	3	ChEMBL_70777 (CHEMBL681995)	Antagonistic activity against fibrinogen receptor
50008729	4	ChEMBL_214765 (CHEMBL816223)	Antagonistic activity against vitronectin receptor
50008730	2	ChEBML_102102	Inhibition of matrix metalloprotease-3 (MMP-3)
50008730	4	ChEBML_101743	Inhibition of matrix metalloprotease-1 (MMP-1)
50008730	3	ChEBML_106484	Inhibition of Matrix metalloprotease-13 (MMP-13)
50008730	1	ChEBML_105215	Inhibition of Matrix metalloprotease-8
50008732	1	ChEBML_50955	Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]TYR-oCRH as the displaced radioligand
50008733	1	ChEBML_41583	In vitro inhibitory activity against Butyrylcholinesterase
50008734	2	ChEMBL_737 (CHEMBL615639)	Inhibitory activity against 5-lipoxygenase (5-LO) in intact rat barophilic leukemia cells (RBL-1)
50008734	11	ChEMBL_51500 (CHEMBL665835)	Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)
50008734	15	ChEMBL_3970 (CHEMBL618068)	Inhibitory activity against 5-lipoxygenase (5-LO) using broken rat barophilic leukemia cells (RBL-1)
50017286	9	ChEMBL_329876 (CHEMBL870606)	Activity against mGluR1
50017297	2	ChEMBL_329340 (CHEMBL863564)	Activity at adrenergic Alpha-2C receptor expressed in rat-mouse hybrid NH108-15 cell by adenylyl cyclase assay
50017297	15	ChEMBL_329316 (CHEMBL863412)	Activity against 5HT2A mediated intracellular calcium mobilization by FLIPR in rat vascular smooth muscle cells
50017297	27	ChEMBL_329339 (CHEMBL863562)	Activity at adrenergic alpha-2B receptor expressed in opposum kidney OK cell by adenylyl cyclase assay
50017297	28	ChEMBL_329315 (CHEMBL863411)	Inhibition of [125I]DOI binding to 5HT2A receptor in rat cerebral cortex
50017297	22	ChEMBL_329338 (CHEMBL863561)	Activity at adrenergic alpha2A receptor expressed in human clonic adenocarcinoma HT29 cell by tissue contraction assay
50017297	29	ChEMBL_329322 (CHEMBL863545)	Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cells
50017297	30	ChEMBL_329337 (CHEMBL863560)	Activity at adrenergic alpha-2A receptor expressed in human clonic adenocarcinoma HT29 cell by adenylyl cyclase assay
50017328	1	ChEMBL_327246 (CHEMBL865136)	Inhibition of strand transfer step of wt HIV1 integrase
50017328	3	ChEMBL_327245 (CHEMBL865134)	Inhibition of 3' processing step of wt HIV1 integrase
50017331	9	ChEMBL_330171 (CHEMBL863524)	Inhibitory activity against MMP14
50017331	10	ChEMBL_330169 (CHEMBL863522)	Inhibitory activity against MMP9
50017334	5	ChEMBL_326994 (CHEMBL863527)	Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay
50017334	2	ChEMBL_326996 (CHEMBL863528)	Inhibition of low pH activation of human TRPV1
50017334	6	ChEMBL_326995 (CHEMBL865847)	Inhibition of calcium influx evoked by capsaicin in rat TRPV1 expressing cells by fluorescence assay
50017356	2	ChEMBL_339422 (CHEMBL866580)	Inhibition of Bclw by FP assay
50017369	1	ChEMBL_346056 (CHEMBL862316)	Inhibition of HIV1 integrase strand transfer step
50017369	3	ChEMBL_346055 (CHEMBL862315)	Inhibition of HIV1 integrase 3'-processing step
50017382	2	ChEMBL_345422 (CHEMBL861116)	Inhibition of human FBPase1
50008737	7	ChEMBL_123504 (CHEMBL729166)	In vitro antagonistic activity against human mineralocorticoid receptor (hMR); not active
50008737	4	ChEMBL_71259 (CHEMBL685253)	In vitro antagonistic activity against human glucocorticoid receptor (hGR); not active
50008737	8	ChEBML_159382	In vitro antagonistic activity against human progesterone receptor (hPR)
50008737	6	ChEBML_123504	In vitro antagonistic activity against human mineralocorticoid receptor (hMR); not active
50017384	7	ChEMBL_331365 (CHEMBL867090)	Displacement of [3H]naltrindole from cloned human delta opioid receptor expressed in CHO cells
50017384	8	ChEMBL_331367 (CHEMBL865854)	Agonist activity on nociceptin-induced maximal [35S]GTP-gamma-S binding to ORL1 expressed in CHO cells
50017384	2	ChEMBL_331362 (CHEMBL867087)	Displacement of [125I]Tyr-nociceptin from cloned human ORL1 expressed in CHO cells
50017384	3	ChEMBL_331366 (CHEMBL865853)	Antagonist activity on nociceptin-induced [35S]GTP-gamma-S binding to ORL1 expressed in CHO cells
50017395	11	ChEMBL_330651 (CHEMBL867029)	Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay
50008739	6	ChEBML_212522	Inhibitory activity against bovine trypsin
50008739	1	ChEBML_208512	Inhibition of human thrombin
50008739	3	ChEBML_69653	Inhibitory activity against factor Xa
50008739	4	ChEBML_155255	Inhibitory activity against plasmin
50008739	2	ChEBML_208068	Inhibitory activity against tissue type plasminogen activator (t-PA)
50008739	5	ChEBML_69667	Inhibitory activity against factor Xa
50008744	1	ChEBML_50975	Displacement of [125I]-TYR-ovine CRH from cloned human corticotropin releasing factor receptor 1 expressed in 293 EBNA cells
50008745	1	ChEBML_50977	Antagonistic activity for Corticotropin releasing factor receptor 1
50008746	2	ChEBML_70117	EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)
50017395	6	ChEMBL_330655 (CHEMBL867033)	Inhibitory activity against HCV 2a NS5B RNA polymerase
50008751	3	ChEBML_208317	Binding affinity to human thrombin
50008751	2	ChEBML_212734	Binding affinity was evaluated against human trypsin
50008751	5	ChEMBL_49457 (CHEMBL657101)	Binding affinity was evaluated against human chymotrypsin
50008753	1	ChEBML_88175	In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells
50008756	2	ChEBML_51699	Inhibition of human cyclooxygenase-2 (hCOX-2) enzyme.
50017395	4	ChEMBL_330654 (CHEMBL867032)	Inhibitory activity against HCV 1b NS5B RNA polymerase
50008757	3	ChEBML_159604	In vitro inhibitory activity against human Prostaglandin G/H synthase 2
50008757	2	ChEMBL_159604 (CHEMBL760086)	In vitro inhibitory activity against human Prostaglandin G/H synthase 2
50008758	1	ChEBML_79478	Inhibitory concentration required to inhibit hydrolytic activity of recombinant HIV-1 PR (human immunodeficiency virus protease)
50008759	1	ChEBML_51119	Binding affinity against human Corticotropin releasing factor receptor 1 expressed in HEK 293E cells using [125I]TYR-oCRH
50008759	2	ChEMBL_51119 (CHEMBL665732)	Binding affinity against human Corticotropin releasing factor receptor 1 expressed in HEK 293E cells using [125I]TYR-oCRH
50008761	3	ChEMBL_212726 (CHEMBL818183)	Binding affinity against trypsin in an enzyme inhibition assay.
50008761	4	ChEMBL_48665 (CHEMBL658336)	Binding affinity against Coagulation factor X in an enzyme inhibition assay.
50008765	3	ChEBML_221964	In vitro activity against topoisomerase-1 mediated cleavage of supercoiled pBR322 plasmid DNA
50008765	1	ChEBML_66899	In vitro activity against Epidermal growth factor receptor (using poly(Glu4Tyr1) as a substrate)
50017395	5	ChEMBL_330653 (CHEMBL867031)	Inhibitory activity against HCV 1a NS5B RNA polymerase
50017397	4	ChEMBL_331786 (CHEMBL864669)	Inhibitory activity against HCV delta 21 NS5b RNA polymerase
50008770	5	ChEMBL_38789 (CHEMBL650698)	Agonistic activity against the cloned human Beta-3 adrenergic receptor was measured by its by its ability to stimulate adenylyl cyclase
50008770	1	ChEMBL_37388 (CHEMBL652505)	Inhibitory activity against cloned human Beta-1 adrenergic receptor in the presence of [125I]iodocyanopindolol expressed in CHO cells by receptor binding assay
50017405	8	ChEMBL_332732 (CHEMBL859056)	Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of gelatin
50017405	13	ChEMBL_332730 (CHEMBL859054)	Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay
50017405	7	ChEMBL_332733 (CHEMBL859057)	Activity towards mouse FL5.12 cell line transfected with Bcl-XL in presence of 3% fetal bovine serum
50008770	2	ChEBML_38789	Agonistic activity against the cloned human Beta-3 adrenergic receptor was measured by its by its ability to stimulate adenylyl cyclase
50008774	1	ChEBML_210071	Inhibitory activity against human telomerase
50008774	2	ChEMBL_210071 (CHEMBL813595)	Inhibitory activity against human telomerase
50017405	6	ChEMBL_332729 (CHEMBL859053)	Binding affinity to Bcl-XL by fluorescence polarization assay
50017405	14	ChEMBL_332728 (CHEMBL859052)	Binding affinity to Bcl2 by fluorescence polarization assay
50008776	3	ChEBML_62111	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in HEK293 cells
50008776	2	ChEBML_60057	Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO cells
50008776	1	ChEBML_63105	Displacement of [3H]spiperone from human Dopamine receptor D4 expressed in HEK293 cells
50008777	1	ChEBML_63657	In vitro inhibitory activity against human leukocyte elastase (HLE)
50017405	15	ChEMBL_332731 (CHEMBL859055)	Binding affinity to Bcl-XL in 10% human serum by fluorescence polarization assay
50008780	1	ChEBML_149179	Binding affinity for rat uterine oxytocin receptor (rOTr)
50008780	4	ChEBML_149046	Binding affinity for human oxytocin receptor
50008780	7	ChEMBL_214722 (CHEMBL817922)	Binding affinity towards cloned human Vasopressin V2 receptor by using functional assay
50008780	6	ChEBML_214416	Binding affinity towards human Vasopressin V1a receptor by using functional assay
50008780	5	ChEBML_214722	Binding affinity towards cloned human Vasopressin V2 receptor by using functional assay
50008780	3	ChEBML_214563	Binding affinity towards rat liver Vasopressin V1a receptor by using functional assay
50008780	2	ChEBML_215016	Binding affinity towards rat kidney Vasopressin V2 receptor by using functional assay
50008781	1	ChEBML_208529	Inhibition of human thrombin (in vitro)
50017405	4	ChEMBL_332725 (CHEMBL858940)	Inhibitory activity against Bcl-XL in presence of HSA from 1% human serum
50017405	16	ChEMBL_332734 (CHEMBL859058)	Binding affinity to Bclw
50017405	2	ChEMBL_332727 (CHEMBL858942)	Inhibitory activity against Bcl-XL in presence of alpha-1 acid glycoprotein from 1% human serum
50017416	2	ChEMBL_347804 (CHEMBL869505)	Inhibition of COX1 in human whole blood
50017419	1	ChEMBL_345618 (CHEMBL860683)	Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase
50017419	6	ChEMBL_345619 (CHEMBL860686)	Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase
50008783	5	ChEMBL_221915 (CHEMBL842480)	Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes
50017420	2	ChEMBL_347313 (CHEMBL865646)	Inhibition of HCV NS5B RNA dependent RNA polymerase
50017426	51	ChEMBL_346872 (CHEMBL861339)	Binding affinity to BZP receptor by radioligand binding assay
50017426	49	ChEMBL_346882 (CHEMBL861546)	Binding affinity to M receptor by radioligand binding assay
50017426	50	ChEMBL_346855 (CHEMBL861213)	Binding affinity to adenosine A2 receptor by radioligand binding assay
50017426	28	ChEMBL_346888 (CHEMBL867818)	Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells
50017426	52	ChEMBL_346867 (CHEMBL861226)	Binding affinity to DOR by radioligand binding assay
50017459	11	ChEMBL_350093 (CHEMBL865074)	Inhibition of MMP9
50017459	12	ChEMBL_350096 (CHEMBL865077)	Inhibition of MMP14
50017486	3	ChEMBL_351511 (CHEMBL870070)	Inhibition of HCV 1b BK NS5B RNA polymerase
50017486	4	ChEMBL_351512 (CHEMBL870071)	Antiviral activity against Hepatitis C virus replicon in Huh7 cells
50017494	2	ChEMBL_351789 (CHEMBL867800)	Inhibition of BACE1
50017517	2	ChEMBL_355438 (CHEMBL868998)	Inhibition of HIV1 wild type Reverse Transcriptase
50008785	1	ChEMBL_142765 (CHEMBL750486)	Binding affinity towards Nicotinic acetylcholine receptor by the displacement of [3H]-nicotine from rat cortical membranes
50008788	1	ChEMBL_104552 (CHEMBL718938)	Inhibitory activity against Matrix metalloprotease-2 (concentration required for 50% inhibition of enzyme activity)
50017530	2	ChEMBL_336353 (CHEMBL865324)	Inhibition of recombinant HIV1 integrase strand transfer activity
50008790	4	ChEMBL_208349 (CHEMBL813659)	Compound was tested for inhibition activity against human thrombin (FIIa)
50008790	1	ChEMBL_48800 (CHEMBL838886)	Compound was tested for inhibition activity against Coagulation factor X
50017539	1	ChEMBL_337041 (CHEMBL862554)	Inhibition of 3'-processing activity of HIV1 integrase
50017539	3	ChEMBL_337042 (CHEMBL862555)	Inhibition of strand transfer activity of HIV1 integrase
50008790	2	ChEMBL_48039 (CHEMBL666765)	Compound was tested for inhibition activity against factor Xa (FXa)
50017540	11	ChEMBL_337076 (CHEMBL864354)	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase
50017540	8	ChEMBL_337085 (CHEMBL854142)	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving magnesium chelation
50008794	4	ChEMBL_65258 (CHEMBL673949)	Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.
50008794	7	ChEMBL_66569 (CHEMBL679550)	Inhibition of EGF-stimulated autophosphorylation of Epidermal growth factor receptor in A431 cells
50008794	5	ChEMBL_65259 (CHEMBL673950)	Inhibition of heregulin-stimulated autophosphorylation of erbB2 in MDA-MB-453 cells.
50017540	7	ChEMBL_337086 (CHEMBL862541)	Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase involving manganese chelation
50017540	1	ChEMBL_337089 (CHEMBL862550)	Inhibitory activity against HCV 1b BK NS5B deltaC55-R158K mutant RNA polymerase
50017540	12	ChEMBL_337078 (CHEMBL864362)	Inhibition of replication of HCV 1b BK RNA in Huh7 cells
50017540	3	ChEMBL_337088 (CHEMBL862549)	Inhibitory activity against HCV 1b BK NS5B deltaC55-R158M mutant RNA polymerase
50008799	5	ChEMBL_89368 (CHEMBL873291)	Inhibitory concentration against mouse inducible nitric oxide synthase (iNOS)
50008799	3	ChEMBL_65300 (CHEMBL676788)	Inhibitory concentration against mammalian endothelial nitric oxide synthase (eNOS)
50017540	4	ChEMBL_337082 (CHEMBL864369)	Inhibitory activity against HCV 2a BK NS5B deltaC21 RNA polymerase
50008799	2	ChEMBL_143363 (CHEMBL751655)	Inhibitory concentration against mammalian Neuronal nitric oxide synthase (nNOS)
50017540	5	ChEMBL_337081 (CHEMBL864366)	Inhibitory activity against HCV 1b BK NS5B RNA polymerase
50017540	9	ChEMBL_337083 (CHEMBL864371)	Inhibitory activity against HCV 3a BK NS5B deltaC21 RNA polymerase
50008801	1	ChEMBL_41590 (CHEMBL654884)	Ability to inhibit butyrylcholinesterase (BChE), freshly prepared from human plasma
50008801	2	ChEMBL_28143 (CHEMBL644927)	Ability to inhibit acetylcholinesterase (AChE), freshly prepared from human erythrocytes
50017540	6	ChEMBL_337080 (CHEMBL864365)	Inhibitory activity against HCV 1b BK NS5B deltaC21 RNA polymerase
50017559	16	ChEMBL_354472 (CHEMBL853107)	Binding affinity to MMP14
50017559	17	ChEMBL_354461 (CHEMBL853096)	Binding affinity to MMP9
50017559	18	ChEMBL_354477 (CHEMBL853112)	Binding affinity to ADAMTS5
50017559	19	ChEMBL_354476 (CHEMBL853111)	Binding affinity to ADAMTS4
50017563	2	ChEMBL_354366 (CHEMBL870017)	Displacement of [3H]vesamicol from human VAChT transfected in PC12 cell line
50017564	20	ChEMBL_354929 (CHEMBL870120)	Inhibition of ROCK2
50017564	17	ChEMBL_354919 (CHEMBL870111)	Inhibition of PKA
50008805	2	ChEMBL_31456 (CHEMBL643938)	In vitro inhibitory activity against aldose reductase (ALR2) obtained from calf lenses
50008805	1	ChEMBL_32264 (CHEMBL645598)	In vitro inhibitory activity against Aldose reductase 2 obtained from calf lenses
50017564	21	ChEMBL_354927 (CHEMBL870118)	Inhibition of CHK1
50017564	16	ChEMBL_354918 (CHEMBL870110)	Inhibition of JNK
50017564	22	ChEMBL_354894 (CHEMBL853149)	Inhibition of EGFR in presence of 2 uM ATP
50017564	18	ChEMBL_354928 (CHEMBL870119)	Inhibition of SAP kinase
50017564	19	ChEMBL_354895 (CHEMBL853150)	Antiproliferative activity against EGF-stimulated human KB cell line
50008814	5	ChEMBL_152394 (CHEMBL765517)	In vitro inhibitory activity against bovine adrenal Phenylethanolamine N-Methyltransferase (for +- stereoisomer)
50008814	2	ChEMBL_152396 (CHEMBL764112)	In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl transferase (for +- stereoisomer)
50017580	11	ChEMBL_364825 (CHEMBL870172)	Activity at LXR beta as beta-lactamase transactivation in CHO cells
50017580	9	ChEMBL_364820 (CHEMBL870849)	Inhibition of LXR beta
50017580	12	ChEMBL_364819 (CHEMBL870847)	Inhibition of LXR alpha
50017580	10	ChEMBL_364822 (CHEMBL870169)	Activity at LXR alpha as beta-lactamase transactivation in CHO cells
50008817	2	ChEMBL_1415 (CHEMBL616203)	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT radioligand in rat hippocampal homogenates
50008817	3	ChEMBL_1414 (CHEMBL616202)	In vitro binding affinity towards 5-hydroxytryptamine 1A r receptor by the displacement of [3H]8-OH-DPAT radioligand in rat hippocampal homogenates
50008817	4	ChEMBL_1460 (CHEMBL616583)	The compound was tested for binding affinity on [3H]8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus
50017592	6	ChEMBL_338115 (CHEMBL868325)	Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay
50017592	4	ChEMBL_338114 (CHEMBL868323)	Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay
50017592	1	ChEMBL_338118 (CHEMBL867146)	Inhibition of HIV1 integrase 3'-processing activity in presence of MnCl2
50017592	3	ChEMBL_338117 (CHEMBL868328)	Inhibition of HIV1 integrase 3'-processing activity in presence of MgCl2
50017592	2	ChEMBL_338116 (CHEMBL868326)	Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2
50017593	7	ChEMBL_338132 (CHEMBL867659)	Inhibitory activity against hMC3R transfected in HEK293 cells
50017593	8	ChEMBL_338133 (CHEMBL867660)	Inhibitory activity against hMC4R transfected in HEK293 cells
50017593	9	ChEMBL_338135 (CHEMBL867663)	Activity against hMC1R transfected in HEK293 cells by intracellular cAMP accumulation
50017593	10	ChEMBL_338136 (CHEMBL867664)	Activity against hMC3R transfected in HEK293 cells by intracellular cAMP accumulation
50017593	11	ChEMBL_338138 (CHEMBL867666)	Activity against hMC5R transfected in HEK293 cells by intracellular cAMP accumulation
50017593	5	ChEMBL_338134 (CHEMBL867662)	Inhibitory activity against hMC5R transfected in HEK293 cells
50017593	1	ChEMBL_338131 (CHEMBL867658)	Inhibitory activity against hMC1R transfected in HEK293 cells
50008820	1	ChEMBL_154143 (CHEMBL759813)	The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase
50008822	1	ChEMBL_68567 (CHEMBL679654)	Displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor
50008823	2	ChEBML_60213	Binding affinity to human Dopamine receptor D2 by using radioligand [3H]spiperone in LTK cells
50008827	2	ChEBML_37401	Compound was tested for its binding affinity to human Beta-1 adrenergic receptor by using the radioligand [3H]CGP-12177
50017593	12	ChEMBL_338137 (CHEMBL867665)	Activity against hMC4R transfected in HEK293 cells by intracellular cAMP accumulation
50008830	1	ChEBML_28498	In vitro inhibitory activity of compound was measured on rat liver Acyl coenzyme A:cholesterol acyltransferase
50008831	5	ChEBML_62868	In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]raclopride
50008831	2	ChEBML_202317	In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]8-OH-DPAT
50008831	4	ChEBML_201055	In vitro binding affinity against 5-HT2A receptor of rat cerebral cortex using [3H]ketanserin
50008831	3	ChEBML_58669	In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]SCH-23390
50008834	1	ChEBML_195787	In vitro inhibitory activity against purified recombinant human renin
50017599	2	ChEMBL_338717 (CHEMBL860607)	Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine
50008835	2	ChEBML_195757	Inhibitory activity against purified recombinant human renin
50008836	1	ChEBML_140304	In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor
50017607	7	ChEMBL_337602 (CHEMBL861562)	Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells
50017607	8	ChEMBL_337604 (CHEMBL861565)	Inhibition of MLK7
50017607	6	ChEMBL_337605 (CHEMBL861567)	Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells
50017611	3	ChEMBL_365214 (CHEMBL862421)	Inhibition of cPLA2-alpha by GLU micelle assay
50008839	1	ChEBML_222622	Inhibitory concentration was evaluated against phospholipase C-gamma1
50017620	2	ChEMBL_355753 (CHEMBL861104)	Inhibition of strand transfer process of HIV1 integrase
50017629	5	ChEMBL_356734 (CHEMBL870867)	Antagonist activity against capsaicin-induced intracellular calcium ion increase in CHO cells expressing human TRPV1 in FLIPR assay
50017629	1	ChEMBL_356735 (CHEMBL870868)	Inhibition of acidic pH 5.5-stimulated current in CHO cells expressing human TRPV1 receptor by patch clamp
50017629	6	ChEMBL_356742 (CHEMBL861136)	Activity against capsaicin-induced intracellular calcium ion increase in CHO cells expressing rat TRPV1 assessed by patch clamp
50017635	12	ChEMBL_342127 (CHEMBL860744)	Inhibitory activity against PKC alpha
50017635	13	ChEMBL_342122 (CHEMBL859793)	Inhibitory activity against VEGFR1
50017635	14	ChEMBL_342121 (CHEMBL859792)	Inhibitory activity against Flk1
50017635	15	ChEMBL_342115 (CHEMBL860941)	Inhibitory activity against VEGFR2
50008844	3	ChEBML_105214	Inhibition of Matrix metalloprotease-8 (MMP-8)
50017648	4	ChEMBL_342816 (CHEMBL868829)	Agonist activity on human recombinant TRPV1-mediated enhancement of intracellular calcium concentration in HEK293 cells
50008844	4	ChEBML_104902	Inhibition of Matrix metalloprotease-3 (MMP-3)
50008844	1	ChEBML_106321	Inhibition of Matrix metalloprotease-1 (MMP-1)
50017669	2	ChEMBL_359757 (CHEMBL871263)	Inhibition of CHK1
50017687	4	ChEMBL_341910 (CHEMBL863833)	Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet
50017687	3	ChEMBL_341908 (CHEMBL863831)	Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet
50017687	2	ChEMBL_341906 (CHEMBL863829)	Inhibition of human isolated cPLA2-alpha by vesicle assay
50017706	13	ChEMBL_361005 (CHEMBL862618)	Binding affinity to human cloned 5HT2A receptor by radioligand binding assay
50017706	14	ChEMBL_361003 (CHEMBL867065)	Binding affinity to human cloned dopamine D4.4 receptor by radioligand binding assay
50017706	15	ChEMBL_361004 (CHEMBL862617)	Binding affinity to human cloned 5HT1A receptor by radioligand binding assay
50017706	16	ChEMBL_361006 (CHEMBL862619)	Binding affinity to human cloned 5HT2C receptor by radioligand binding assay
50017706	17	ChEMBL_361011 (CHEMBL862624)	Binding affinity to human cloned adrenergic alpha-2C receptor by radioligand binding assay
50017706	18	ChEMBL_361012 (CHEMBL862625)	Binding affinity to human cloned histamine H1 receptor by radioligand binding assay
50017706	19	ChEMBL_361010 (CHEMBL862623)	Binding affinity to human cloned adrenergic alpha-2B receptor by radioligand binding assay
50008851	1	ChEMBL_209135 (CHEMBL814653)	In vitro inhibition of Lactobacillus casei Thymidylate synthase.
50008852	2	ChEMBL_70294 (CHEMBL679531)	Inhibition of Farnesyl protein transferase
50008852	1	ChEMBL_70295 (CHEMBL679532)	Inhibition of Farnesyltransferase
50008855	1	ChEMBL_63680 (CHEMBL670638)	Inhibition of [125I]ET1 binding to recombinant human Endothelin B receptor.
50008855	2	ChEMBL_65479 (CHEMBL677308)	Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.
50017706	20	ChEMBL_361008 (CHEMBL862621)	Binding affinity to human cloned adrenergic alpha-1B receptor by radioligand binding assay
50017706	21	ChEMBL_361007 (CHEMBL862620)	Binding affinity to human cloned adrenergic alpha-1A receptor by radioligand binding assay
50017706	22	ChEMBL_361009 (CHEMBL862622)	Binding affinity to human cloned adrenergic alpha-2A receptor by radioligand binding assay
50017706	23	ChEMBL_361001 (CHEMBL868244)	Binding affinity to human cloned dopamine D2 receptor by radioligand binding assay
50017706	24	ChEMBL_361002 (CHEMBL868245)	Binding affinity to human cloned dopamine D3 receptor by radioligand binding assay
50017718	4	ChEMBL_361576 (CHEMBL870153)	Displacement of [125I]IOXY from human delta opioid receptor
50017726	6	ChEMBL_372755 (CHEMBL871099)	Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells
50008857	7	ChEMBL_163344 (CHEMBL765226)	Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase
50017726	3	ChEMBL_372756 (CHEMBL871100)	Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay
50017726	7	ChEMBL_372752 (CHEMBL870537)	Displacement of [125I]Tyr14-nociceptin from ORL1 receptor expressed in HEK293 cells
50008857	10	ChEMBL_216819 (CHEMBL816398)	Inhibition of c-Jun N-terminal kinase 2-alpha 1
50008857	4	ChEMBL_216693 (CHEMBL820306)	Inhibition of c-Jun N-terminal kinase 2-alpha 1
50008857	1	ChEMBL_216840 (CHEMBL820579)	Inhibition of human c-Raf kinase
50008857	12	ChEMBL_216824 (CHEMBL816403)	Inhibition of c-Jun N-terminal kinase 2-alpha 2
50008857	3	ChEMBL_221501 (CHEMBL841484)	Inhibition of p56 Lck tyrosine kinase
50017729	6	ChEMBL_361727 (CHEMBL870165)	Inhibition of MMP9
50008857	8	ChEMBL_64435 (CHEMBL672267)	Inhibition of EGF receptor kinase
50017758	10	ChEMBL_375063 (CHEMBL864709)	Inhibition of human DPP1
50017758	11	ChEMBL_375067 (CHEMBL864713)	Inhibition of Cathepsin H
50017762	3	ChEMBL_369597 (CHEMBL865370)	Inhibition of HCV 1a NS5B RNA polymerase
50017762	2	ChEMBL_369598 (CHEMBL865371)	Inhibition of HCV 1b NS5B RNA polymerase
50008863	12	ChEMBL_58951 (CHEMBL671265)	Binding affinity towards human D4.2 receptor
50008863	3	ChEMBL_61418 (CHEMBL675886)	Binding affinity towards Dopamine receptor D2 of rat corpus striatum using [3H]spiperone as radioligand
50008863	2	ChEMBL_2584 (CHEMBL617605)	Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]ketanserin as radioligand
50008863	5	ChEMBL_61972 (CHEMBL670577)	Binding affinity towards human Dopamine receptor D3
50008863	6	ChEMBL_2804 (CHEMBL617656)	Binding affinity towards 5-HT2C receptor from rat using [3H]mesulergine as radioligand
50008863	8	ChEMBL_58453 (CHEMBL884444)	Compound was tested in vitro for its binding affinity towards human Dopamine receptor D2
50008863	10	ChEMBL_58298 (CHEMBL669514)	Binding affinity towards D1 CNS receptor of rat corpus striatum using [3H]SCH-23390 as radioligand
50008863	4	ChEMBL_138290 (CHEMBL744322)	Inhibition of binding of 1.0 nM [3H]pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells
50008863	14	ChEMBL_84699 (CHEMBL692703)	Binding affinity towards histamine H1 receptor from rat brain membranes using [3H]mepyramine as radioligand
50008863	7	ChEMBL_2805 (CHEMBL617657)	Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2C receptor from rat using [3H]mesulergine as radioligand
50008863	13	ChEMBL_59916 (CHEMBL671075)	Binding affinity towards human Dopamine receptor D2
50008863	1	ChEMBL_61012 (CHEMBL675017)	Compound was tested in vitro for its binding affinity towards human Dopamine receptor D4.2
50017764	3	ChEMBL_366544 (CHEMBL871399)	Inhibition of HCV 1a NS5B RNA polymerase
50017764	2	ChEMBL_366543 (CHEMBL871397)	Inhibition of HCV 1b NS5B RNA polymerase
50008865	1	ChEMBL_143544 (CHEMBL754722)	Binding affinity against human Nicotinic acetylcholine receptor alpha4-beta2
50008865	2	ChEMBL_144030 (CHEMBL750445)	Binding affinity against human Nicotinic acetylcholine receptor alpha-7 was determined
50008868	1	ChEMBL_209103 (CHEMBL811705)	Compound was evaluated for the inhibition at a given concentration against Lactobacillus casei TS
50008868	2	ChEMBL_209104 (CHEMBL811706)	Compound was evaluated for the inhibition at a given concentration against Lactobacillus casei Thymidylate synthase
50008868	4	ChEMBL_209478 (CHEMBL809257)	Compound was evaluated for the inhibition at a given concentration against recombinant human Thymidylate synthase
50008868	3	ChEMBL_209477 (CHEMBL809256)	Compound was evaluated for the inhibition at a given concentration against recombinant human TS
50008872	4	ChEMBL_157707 (CHEMBL763381)	In vitro binding affinity against HIV protease at pH 6.2 was determined
50008872	3	ChEMBL_159439 (CHEMBL763235)	In vitro binding affinity to HIV protease was determined at pH 4.7
50008874	1	ChEMBL_71689 (CHEMBL681681)	Inhibitory activity against Glucosylceramidase in mouse liver
50008874	2	ChEBML_71693	Specific inhibitory activity against Glucosylceramidase in mouse liver
50017787	20	ChEMBL_377345 (CHEMBL865408)	Inhibition of Insulin receptor
50017787	18	ChEMBL_377349 (CHEMBL865414)	Inhibition of PKA
50017787	19	ChEMBL_377350 (CHEMBL865415)	Inhibition of PKC
50017797	11	ChEMBL_353244 (CHEMBL865083)	Inhibition of IKK alpha
50017797	10	ChEMBL_353256 (CHEMBL861965)	Inhibition of PKA
50017802	12	ChEMBL_353421 (CHEMBL861355)	Inhibition of almond beta glucosidase at pH 6.8
50017802	5	ChEMBL_353424 (CHEMBL861358)	Inhibition of jack bean alpha mannosidase at pH 6.8
50017802	13	ChEMBL_353423 (CHEMBL861357)	Inhibition of almond alpha mannosidase at pH 6.8
50017819	2	ChEMBL_384945 (CHEMBL870301)	Inhibition of recombinant falcipain2
50017832	2	ChEMBL_386030 (CHEMBL870300)	Inhibition of HCV BK NS5B deltaC55 RNA dependent RNA polymerase
50017837	2	ChEMBL_383533 (CHEMBL867996)	Inhibition of HIV1 integrase strand transfer activity in MT4 cell line
50017840	7	ChEMBL_356306 (CHEMBL868183)	Inhibition of HIV reverse transcriptase
50017840	8	ChEMBL_356305 (CHEMBL868182)	Inhibition of HCV helicase
50017840	9	ChEMBL_356302 (CHEMBL869357)	Inhibition of HCV NS5B RNA dependent RNA polymerase
50008885	2	ChEMBL_106214 (CHEMBL713202)	Inhibition of 1S,3R-ACPD (10 uM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells
50008887	1	ChEBML_1201	In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes
50008887	2	ChEBML_58761	In vitro ability to inhibit [3H]raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells
50017840	10	ChEMBL_356310 (CHEMBL868187)	Cytotoxicity against human Huh7 cell line containing HCV genotype 1b replicon
50017843	12	ChEMBL_357377 (CHEMBL854262)	Inhibition of FAP
50017843	10	ChEMBL_357342 (CHEMBL862643)	Inhibition of DPP4 in cynomolgus monkey plasma
50017843	1	ChEMBL_357341 (CHEMBL862642)	Inhibition of DPP4 in Beagle dog plasma
50008891	2	ChEBML_204741	Inhibitory activity against human 5-alpha-reductase type 2 using 18213 3H testosterone 210 nM as substrate
50017843	13	ChEMBL_357329 (CHEMBL867558)	Inhibition of human recombinant DPP4
50008892	1	ChEBML_199522	Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea
50017846	50	ChEMBL_357739 (CHEMBL870198)	Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells
50008893	1	ChEBML_199523	Inhibition of scytalone dehydratase purified from Magnaporthe grisea
50017846	57	ChEMBL_357785 (CHEMBL859042)	Binding affinity to benzodiazepine receptor by radioligand binding assay
50017846	47	ChEMBL_357787 (CHEMBL859044)	Binding affinity to endothelin receptor by radioligand binding assay
50017846	52	ChEMBL_357797 (CHEMBL862261)	Binding affinity to opioid receptor by radioligand binding assay
50017846	49	ChEMBL_357793 (CHEMBL866981)	Binding affinity to muscarinic receptor by radioligand binding assay
50017846	56	ChEMBL_357782 (CHEMBL859039)	Binding affinity to dopamine receptor by radioligand binding assay
50017846	19	ChEMBL_357745 (CHEMBL870204)	Activity against 5HT1A receptor by Gi-[35S]GTP-gamma-S binding assay
50017846	54	ChEMBL_357784 (CHEMBL859041)	Binding affinity to angiotensin2 receptor by radioligand binding assay
50017846	53	ChEMBL_357781 (CHEMBL859038)	Binding affinity to beta adrenergic receptor by radioligand binding assay
50017846	21	ChEMBL_357804 (CHEMBL862268)	Binding affinity to potassium channel by radioligand binding assay
50017846	58	ChEMBL_357738 (CHEMBL870197)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells
50008898	2	ChEMBL_144720 (CHEMBL750941)	In vitro inhibitory activity against H1N9 Influenza A Neuraminidase.
50008898	1	ChEMBL_144721 (CHEMBL750942)	In vitro inhibitory activity against B/Lee/40 Influenza B Neuraminidase.
50008898	3	ChEMBL_144722 (CHEMBL750943)	In vitro inhibitory activity against B/Lee/40 Influenza B Neuraminidase.
50008899	2	ChEMBL_212798 (CHEMBL878031)	Inhibitory potency against HSV-1 UDG (Herpes Simplex virus type-I Uracil DNA glycosylase)
50008899	1	ChEMBL_212800 (CHEMBL816908)	Inhibitory potency against HSV-1 Uracil-DNA glycosylase
50008900	1	ChEMBL_50976 (CHEMBL663519)	Inhibition of [125I]CRH binding to human Corticotropin releasing factor receptor 1.
50008900	2	ChEMBL_51279 (CHEMBL664981)	Ability to inhibit [125I]CRH binding to human Corticotropin releasing factor receptor 1
50008901	1	ChEMBL_72184 (CHEMBL680002)	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50008903	1	ChEMBL_35520 (CHEMBL644753)	Inhibition against membrane bound human aminopeptidase P
50008903	5	ChEMBL_159885 (CHEMBL856203)	Inhibition against Prolidase from pig kidney.
50008903	4	ChEMBL_35518 (CHEMBL644751)	Inhibition against Aminopeptidase P from human platelets.
50008903	2	ChEMBL_35521 (CHEMBL644754)	Activity against membrane bound rat aminopeptidase P
50008903	9	ChEMBL_98543 (CHEMBL708591)	Inhibition against Leucyl aminopeptidase from pig kidney.
50017846	55	ChEMBL_357762 (CHEMBL859019)	Binding affinity to mouse 5HT3 receptor by radioligand binding assay
50008903	3	ChEMBL_35519 (CHEMBL644752)	Inhibition against cytosolic Aminopeptidase P from human heart.
50017846	10	ChEMBL_357808 (CHEMBL862272)	Binding affinity to guinea pig sigma receptor by radioligand binding assay
50017846	48	ChEMBL_357790 (CHEMBL859047)	Binding affinity to cholecystokinin receptor by radioligand binding assay
50017846	51	ChEMBL_357798 (CHEMBL862262)	Binding affinity to somatostatin receptor by radioligand binding assay
50017852	4	ChEMBL_359266 (CHEMBL871202)	Displacement of [20-3H]PDBU from recombinant PKCalpha in presence of phosphatidylserine
50008903	7	ChEMBL_35515 (CHEMBL644748)	Inhibition against membrane bound monkey aminopeptidase P
50017852	5	ChEMBL_359268 (CHEMBL871204)	Binding affinity to PKCdeltaC1b in absence of phospholipid
50017852	3	ChEMBL_359267 (CHEMBL871203)	Binding affinity to PKCdeltaC1b in presence of phospholipid
50017871	2	ChEMBL_378064 (CHEMBL869770)	Inhibition of strand transfer activity of HIV integrase
50017872	2	ChEMBL_378127 (CHEMBL869776)	Inhibition of strand transfer activity in HIV1 integrase
50017874	7	ChEMBL_377987 (CHEMBL866143)	Inhibition of MMP9
50017874	8	ChEMBL_377989 (CHEMBL867338)	Inhibition of MMP14
50008905	1	ChEMBL_70316 (CHEMBL678021)	Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry
50008905	4	ChEMBL_90343 (CHEMBL697020)	The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)
50008905	3	ChEMBL_70310 (CHEMBL677857)	Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry
50017874	9	ChEMBL_377971 (CHEMBL868588)	Inhibition of TACE by FRET assay
50008905	2	ChEMBL_70320 (CHEMBL678025)	Displacement of L-762,745 from Fibrinogen Receptor of human platelets by flow cytometry
50008906	1	ChEMBL_162029 (CHEMBL770309)	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.
50008906	2	ChEMBL_162028 (CHEMBL873419)	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as substrate.
50008906	4	ChEMBL_162021 (CHEMBL772961)	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.
50008906	3	ChEMBL_162027 (CHEMBL770308)	Inhibitory activity against calf spleen Purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside(MESG) as substrate.
50008909	4	ChEMBL_55137 (CHEMBL668780)	Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)
50008909	3	ChEMBL_53316 (CHEMBL665700)	Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)
50008909	6	ChEMBL_52991 (CHEMBL665260)	Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)
50008909	2	ChEMBL_55138 (CHEMBL668781)	The compound was tested for inhibition of dihydrofolate reductase(DHFR) from rat liver (rl)
50008909	5	ChEMBL_52839 (CHEMBL876712)	The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Pneumocystis carinii(pc)
50008909	1	ChEMBL_53317 (CHEMBL884354)	The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Toxoplasma gondii(tg)
50008911	4	ChEMBL_141030 (CHEMBL749384)	Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2C expressed in Xenopus oocytes
50008911	2	ChEMBL_61762 (CHEMBL671128)	Binding affinity against Dopamine receptor D2 from rat using [3H]raclopride as radioligand
50008911	1	ChEMBL_143315 (CHEMBL753017)	Antagonistic activity against rat NR1A/2A receptor, expressed in Xenopus oocytes
50008911	3	ChEMBL_141028 (CHEMBL749382)	Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2B expressed in Xenopus oocytes
50008911	6	ChEMBL_143334 (CHEMBL752251)	The compound was tested for antagonistic activity against rat NR1A/2C receptor expressed in Xenopus oocytes
50008911	5	ChEMBL_143325 (CHEMBL752243)	Antagonistic activity against rat NR1A/2B receptor expressed in Xenopus oocytes
50008911	7	ChEMBL_141021 (CHEMBL747510)	Antagonistic activity against rat N-methyl-D-aspartate glutamate receptor 1/2A, expressed in Xenopus oocytes
50017877	2	ChEMBL_387071 (CHEMBL862962)	Inhibition of [3H]glycine uptake at human GlyT1b transporter
50008912	3	ChEMBL_140710 (CHEMBL751880)	Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demonstarted by the ability to inhibit the binding of the channel-blocking agent [3H](+)-MK-801
50008912	5	ChEMBL_141005 (CHEMBL747013)	Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes using [3H]glycine as radioligand
50008912	6	ChEMBL_141004 (CHEMBL747012)	The compound was tested for its binding affinity towards Glycine/NMDA receptor in rat cortical membranes using [3H]glycine as radioligand
50008912	2	ChEMBL_140711 (CHEMBL751881)	Functional antagonism at the NMDA receptor-ion channel complex was demonstarted by the ability to inhibit the binding of the channel-blocking agent [3H](+)-MK-801
50017887	2	ChEMBL_388024 (CHEMBL869782)	Binding affinity to HCV NS3 protease
50017906	14	ChEMBL_380308 (CHEMBL866109)	Inhibition of FLT4 by HTRF assay
50017906	12	ChEMBL_380310 (CHEMBL866111)	Inhibition of PDGFR by HTRF assay
50017906	15	ChEMBL_380306 (CHEMBL866098)	Inhibition of KDR-mediated biotin-Ahx-AEEEYFFLFA-amide substrate phosphorylation in presence of 1 mM ATP by HTRF assay
50017906	13	ChEMBL_380312 (CHEMBL863745)	Inhibition of FGFR by HTRF assay
50023145	1	ChEMBL_528205 (CHEMBL976922)	Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting
50017908	9	ChEMBL_378634 (CHEMBL868656)	Displacement of [3H]PGD2 from human CRTh2 expressed in HEK293 cells
50008918	1	ChEBML_208128	Inhibition of thrombin
50008918	3	ChEBML_48643	Inhibition of activated Coagulation factor X
50008918	2	ChEBML_212712	Inhibition of trypsin
50017908	1	ChEMBL_378653 (CHEMBL871489)	Inhibition of COX1
50008923	20	ChEMBL_160939 (CHEMBL769102)	Displacement of [3H]PDBu from protein kinase C delta C1b domain
50008923	17	ChEBML_161110	Displacement of [3H]PDBu from protein kinase C epsilon C1b domain
50008923	15	ChEMBL_161296 (CHEMBL772104)	Displacement of [3H]-PDBu from protein kinase C gamma C1a domain
50008923	3	ChEMBL_160631 (CHEMBL768241)	Displacement of [3H]PDBu from protein kinase C beta C1b domain
50008923	18	ChEMBL_161110 (CHEMBL772742)	Displacement of [3H]PDBu from protein kinase C epsilon C1b domain
50008923	2	ChEBML_160632	Displacement of [3H]PDBu from protein kinase C beta C1b domain
50017908	10	ChEMBL_378652 (CHEMBL871488)	Inhibition of COX1-mediated platelet aggregation
50008923	21	ChEMBL_161294 (CHEMBL772102)	Displacement of [3H]PDBu from protein kinase C gamma C1a domain
50008923	5	ChEBML_161296	Displacement of [3H]-PDBu from protein kinase C gamma C1a domain
50008923	13	ChEBML_161633	Displacement of [3H]PDBu from protein kinase C theta-C1B domain
50008923	1	ChEBML_160939	Displacement of [3H]PDBu from protein kinase C delta C1b domain
50008923	12	ChEMBL_161632 (CHEMBL772802)	Displacement of [3H]PDBu from protein kinase C theta-C1B domain
50017911	2	ChEMBL_379150 (CHEMBL863610)	Inhibition of human recombinant BACE1
50017913	6	ChEMBL_378748 (CHEMBL871493)	Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay
50017913	7	ChEMBL_378750 (CHEMBL871495)	Displacement of [3H]NOP from human NOP receptors expressed in HEK293 cells
50017913	8	ChEMBL_378751 (CHEMBL871496)	Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells
50017913	9	ChEMBL_378749 (CHEMBL871494)	Inhibition of [3H]glycine uptake at human GlyT2 by radiometric assay
50017915	7	ChEMBL_362485 (CHEMBL868157)	Inhibition of SARS CoV 3C-like protease
50017915	6	ChEMBL_362489 (CHEMBL866338)	Inhibition of trypsin
50017917	2	ChEMBL_362606 (CHEMBL863120)	Inhibition of human recombinant 11-beta-HSD1 expressed in HEK293 cells
50017917	12	ChEMBL_362619 (CHEMBL853229)	Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells expressing 11betaHSD1
50008925	1	ChEBML_90087	Dissociation constant of compound was measured in IP3-binding domain(IBD) of human Inositol 1,4,5-trisphosphate receptor at pH 7.4
50017917	1	ChEMBL_362615 (CHEMBL853224)	Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells
50017917	13	ChEMBL_362618 (CHEMBL853228)	Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact 3T3 L1 cells
50017917	14	ChEMBL_362614 (CHEMBL853223)	Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells
50017917	15	ChEMBL_362610 (CHEMBL853212)	Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells
50008927	4	ChEMBL_159766 (CHEMBL873640)	Inhibition of Prostaglandin G/H synthase 2 in CHO whole cell assay
50008927	3	ChEBML_159767	Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay
50017939	13	ChEMBL_389277 (CHEMBL868027)	Inhibition of HPTPbeta
50017939	2	ChEMBL_389282 (CHEMBL868038)	Inhibition of LAR1
50008930	3	ChEBML_211231	In vitro inhibition of [3H]- AVP binding to rat V1a receptor
50008930	4	ChEBML_211101	In vitro inhibition of [3H]- AVP binding to V1a receptor from human platelet membrane
50008930	2	ChEBML_211235	In vitro inhibition of [3H]AVP binding to human V2 receptor from murine fibroblast cell line (LV2)
50008930	1	ChEBML_211253	In vitro inhibition of [3H]AVP binding to rat V2 receptor
50008931	5	ChEBML_214559	In vitro inhibition of (Phe-3,4,5 [3H]-) AVP binding towards isolated rat hepatic Vasopressin V1a receptor
50008931	3	ChEBML_214259	In vitro inhibition of (P[3H]-AVP binding towards isolated rat kidney medullary Vasopre ssin V2 receptor
50008931	1	ChEMBL_214259 (CHEMBL821018)	In vitro inhibition of (P[3H]-AVP binding towards isolated rat kidney medullary Vasopre ssin V2 receptor
50008931	4	ChEMBL_214559 (CHEMBL820176)	In vitro inhibition of (Phe-3,4,5 [3H]-) AVP binding towards isolated rat hepatic Vasopressin V1a receptor
50008931	2	ChEMBL_211251 (CHEMBL817096)	In vitro inhibition of (P[3H]-AVP binding to isolated rat kidney medullary V2 receptor
50008934	3	ChEBML_101902	Inhibition of human recombinant matrix metalloprotease-13 (hMMP-13)
50008934	2	ChEBML_101735	Inhibition of human recombinant matrix metalloprotease-1 (hMMP-1)
50008934	1	ChEBML_102106	Inhibition of human recombinant matrix metalloprotease-8 (hMMP-8)
50017941	5	ChEMBL_378871 (CHEMBL863599)	Inhibition of [3H]glycine uptake at GlyT2
50017941	6	ChEMBL_378870 (CHEMBL863598)	Inhibition of [3H]glycine uptake at GlyT1
50017945	5	ChEMBL_389599 (CHEMBL868042)	Inhibition of AKT3 in presence of 0.2 uM ATP
50017945	16	ChEMBL_389612 (CHEMBL868623)	Activity against AKT-mediated GSK3 S9P phosphorylation in human DOV13 cell line
50017945	14	ChEMBL_389603 (CHEMBL868610)	Inhibition of PKA
50017945	19	ChEMBL_389610 (CHEMBL868621)	Inhibition of RAF1
50017945	20	ChEMBL_389606 (CHEMBL868613)	Inhibition of PKCa
50017945	21	ChEMBL_389607 (CHEMBL868614)	Inhibition of CamK2alpha
50017945	15	ChEMBL_389613 (CHEMBL868624)	Activity against AKT-mediated PRAS40 T246P phosphorylation in human DOV13 cell line
50017945	18	ChEMBL_389619 (CHEMBL868630)	Activity against AKT-mediated S6RP S235/236P phosphorylation in human DOV13 cell line
50017945	17	ChEMBL_389609 (CHEMBL868620)	Inhibition of GSK3
50008941	4	ChEBML_214643	Binding affinity towards human Vitronectin receptor.
50008941	3	ChEBML_218228	Binding affinity towards human alpha IIb beta-3 integrin by [3H]-RGD peptide displacement.
50008942	7	ChEBML_79400	Inhibition of HEK 293 cell adhesion to vitronectin by alpha V beta 3
50008942	9	ChEBML_214764	Binding affinity for non-peptide Vitronectin receptor (alpha V beta 3)
50008942	6	ChEBML_215993	Binding affinity for alpha V beta 1 receptor
50008942	8	ChEBML_218230	Binding affinity for alpha IIb beta3 integrin
50008942	10	ChEBML_220766	Binding affinity for integrin alpha V beta 5 receptor
50008943	1	ChEBML_141444	In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 uM nitrendipine
50017945	22	ChEMBL_389601 (CHEMBL868046)	Inhibition of AKT2
50017945	23	ChEMBL_389608 (CHEMBL868619)	Inhibition of ERK1
50017945	24	ChEMBL_389602 (CHEMBL868609)	Inhibition of AKT3
50017945	25	ChEMBL_389600 (CHEMBL868045)	Inhibition of AKT1
50017945	26	ChEMBL_389604 (CHEMBL868611)	Inhibition of Kit
50017945	27	ChEMBL_389605 (CHEMBL868612)	Inhibition of Met
50017958	5	ChEMBL_404876 (CHEMBL869278)	Displacement of [125I]NDP-MSH from human MC3R expressed in HEK293 cells
50017958	3	ChEMBL_404878 (CHEMBL869282)	Activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP production
50017958	6	ChEMBL_404874 (CHEMBL869276)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50017976	3	ChEMBL_404787 (CHEMBL869274)	Inhibition of human FAS
50008952	1	ChEBML_38920	In vitro agonistic activity against cloned human beta-3 adrenergic receptor using [125I]iodocyanopindolol as radioligand to stimulate increase in cAMP in CHO cells
50008952	3	ChEBML_37387	In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]iodocyanopindolol as radioligand to stimulate increase in cAMP in CHO cells
50017990	30	ChEMBL_368581 (CHEMBL866825)	Inhibition of GSK3
50017990	33	ChEMBL_368590 (CHEMBL866840)	Inhibition of PKCeta
50017990	29	ChEMBL_368583 (CHEMBL866827)	Inhibition of AKT
50017990	34	ChEMBL_368589 (CHEMBL866839)	Inhibition of PKCalpha
50017990	25	ChEMBL_368576 (CHEMBL866820)	Inhibition of FLK1
50017990	31	ChEMBL_368584 (CHEMBL866829)	Inhibition of p38
50017990	32	ChEMBL_368599 (CHEMBL866183)	Inhibition of CaMK2
50017998	3	ChEMBL_367601 (CHEMBL864095)	Agonist activity at LHCGR expressed in HEK293 EM cells measured by intracellular cAMP accumulation
50008953	1	ChEBML_70444	In vitro inhibition of human Farnesyltransferase
50008954	1	ChEMBL_66262 (CHEMBL679966)	Dissociation constant when binding to FK506 binding protein (FKBP).
50018023	3	ChEMBL_391093 (CHEMBL869872)	Inhibition of COX1
50008964	3	ChEMBL_105814 (CHEMBL717814)	Inhibition of matrix metalloprotease-8
50008964	5	ChEMBL_106454 (CHEMBL716816)	Binding affinity against matrix metalloprotease-11.
50008964	4	ChEMBL_104402 (CHEMBL715005)	Binding affinity against matrix metalloprotease-2 (gelatinase-A).
50018034	8	ChEMBL_406097 (CHEMBL913250)	Antagonist activity at human mGluR1 expressed in 1321N1 cells
50018040	5	ChEMBL_403698 (CHEMBL866165)	Inhibition of COX1 assessed as TBX2 production in human whole blood
50008964	1	ChEMBL_105050 (CHEMBL711564)	Inhibition of Matrix metalloprotease-7 Matrilysin
50008964	6	ChEMBL_106132 (CHEMBL718680)	Inhibition of matrix metalloprotease-1
50018054	2	ChEMBL_373622 (CHEMBL869762)	Inhibition of human recombinant dUTPase
50018054	3	ChEMBL_373621 (CHEMBL869761)	Inhibition of Plasmodium falciparum dUTPase
50008965	1	ChEMBL_143983 (CHEMBL752582)	In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblastoma SK-N-MC cells
50018059	2	ChEMBL_371483 (CHEMBL862913)	Inhibition of HIV1 integrase 3' processing activity
50018059	1	ChEMBL_371484 (CHEMBL862914)	Inhibition of HIV1 integrase strand transfer activity
50018059	5	ChEMBL_371486 (CHEMBL869710)	Inhibition of HIV1 integrase 3' processing activity in presence of exogenous cobalt ion
50018059	3	ChEMBL_371487 (CHEMBL869711)	Inhibition of HIV1 integrase strand transfer activity in presence of exogenous cobalt ion
50018078	2	ChEMBL_400597 (CHEMBL853550)	Inhibitory activity against HCV 1b BK NS5B deltaC21 RNA polymerase
50018079	6	ChEMBL_397861 (CHEMBL856322)	Displacement of [125I]NDP-MSH from human MC3R stably expressed in HEK293 cells
50018079	7	ChEMBL_397859 (CHEMBL856320)	Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells
50018079	2	ChEMBL_397863 (CHEMBL856324)	Activity at MC4R assessed as inhibition of alpha MSH-stimulated cAMP production in HEK293 cells
50018086	5	ChEMBL_401403 (CHEMBL855304)	Displacement of [3H]DPDPE from human delta opioid receptor
50018100	1	ChEMBL_366821 (CHEMBL869096)	Inhibition of wild type HIV1 integrase strand transfer activity
50018100	3	ChEMBL_366820 (CHEMBL869095)	Inhibition of wild type HIV1 integrase 3' processing activity
50008968	3	ChEMBL_70580 (CHEMBL681317)	Inhibition of Hras Farnesyl protein transferase (FPT)
50008968	1	ChEMBL_70454 (CHEMBL680087)	Inhibitory activity against Hras Farnesyltransferase (FPT).
50008968	2	ChEMBL_70453 (CHEMBL680086)	Inhibition of [3H]FPP incorporation into His6-H-Ras-CVLS by farnesyl transferase
50018118	11	ChEMBL_376990 (CHEMBL866684)	Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase
50018118	6	ChEMBL_377002 (CHEMBL868558)	Inhibition of HCV 3a NS5B RNA dependent RNA polymerase
50018118	2	ChEMBL_377000 (CHEMBL868556)	Inhibition of HCV 2a NS5B RNA dependent RNA polymerase
50008974	1	ChEMBL_60061 (CHEMBL671375)	Affinity to displace [3H]spiperone from cloned human Dopamine receptor D2 stably expressed in CHO cell lines
50008974	8	ChEMBL_60658 (CHEMBL671695)	Affinity to displace [3H]spiperone from cloned human Dopamine receptor D4 stably expressed in HEK393 cell lines
50008974	4	ChEMBL_62116 (CHEMBL674994)	Affinity to displace [3H]spiperone from cloned human Dopamine receptor D3 stably expressed in HEK393 cell lines
50008974	3	ChEMBL_62115 (CHEMBL674993)	Affinity to displace [3H]spiperone from cloned human Dopamine receptor D3 (hD3) stably expressed in HEK393 cell lines
50018118	12	ChEMBL_377007 (CHEMBL867399)	Inhibition of HIV reverse transcriptase
50008974	2	ChEMBL_60830 (CHEMBL675819)	compound was tested for its affinity to displace [3H]spiperone cloned human Dopamine receptor D4 stably expressed in HEK393 cell lines
50008974	5	ChEMBL_62436 (CHEMBL676635)	compound was tested for its affinity to displace [3H]spiperone cloned human Dopamine receptor D3 stably expressed in HEK393 cell lines
50008975	3	ChEMBL_156498 (CHEMBL761003)	Agonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices
50018118	4	ChEMBL_377001 (CHEMBL868557)	Inhibition of HCV 2b NS5B RNA dependent RNA polymerase
50008975	4	ChEMBL_156499 (CHEMBL761004)	Antagonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices
50008976	1	ChEMBL_61659 (CHEMBL670792)	Compound was tested for inhibition of [3H]WIN-35428 binding to the human (DAT) dopamine transporter
50018118	10	ChEMBL_376999 (CHEMBL868555)	Inhibition of HCV 1a NS5B RNA dependent RNA polymerase
50018120	5	ChEMBL_376972 (CHEMBL853375)	Displacement of europium labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells
50018120	1	ChEMBL_376976 (CHEMBL871437)	Agonist activity at human MC4R transfected in HEK293 cells
50018120	7	ChEMBL_376975 (CHEMBL871436)	Agonist activity at human MC3R transfected in HEK293 cells
50018120	8	ChEMBL_376974 (CHEMBL871435)	Agonist activity at human MC1R transfected in HEK293 cells
50018120	6	ChEMBL_376971 (CHEMBL853374)	Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells
50018120	9	ChEMBL_376973 (CHEMBL871434)	Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50008981	3	ChEMBL_212878 (CHEMBL824706)	Binding affinity towards trypsin obtained from human purified enzymes
50008981	1	ChEMBL_208541 (CHEMBL813635)	Binding affinity towards thrombin obtained from human purified enzymes
50008981	2	ChEMBL_49167 (CHEMBL663266)	Binding affinity towards human purified Coagulation factor Xa (FXa)
50018130	3	ChEMBL_404277 (CHEMBL912133)	Antagonist activity against capsaicin-activated human VR1 by FLIPR assay
50008989	3	ChEMBL_201585 (CHEMBL809862)	Binding affinity against Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG (DuPont-NEN) as radioligand in the presence of (+)-pentazocine (100 nM)
50008989	1	ChEMBL_201441 (CHEMBL882259)	Binding affinity against Sigma opioid receptor type 1 in guinea pig brain membranes using [3H](+)-pentazocine as radioligand
50018156	8	ChEMBL_394610 (CHEMBL910269)	Antagonist activity at human C5aR in CD88 transfected RBL cells assessed as inhibition of C5a-induced glucosaminidase release
50018156	7	ChEMBL_394613 (CHEMBL910273)	Antagonist activity at human C5aR expressed in human PMN cells assessed as inhibition of glucosaminidase release
50018156	6	ChEMBL_394614 (CHEMBL910274)	Inhibition of C5a binding to human C5aR expressed in HEK293 cells
50018175	3	ChEMBL_378455 (CHEMBL871029)	Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity
50008993	1	ChEMBL_50351 (CHEMBL662511)	In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes.
50008999	3	ChEMBL_208330 (CHEMBL813562)	Compound was evaluated for its binding affinity against thrombin
50018175	1	ChEMBL_378454 (CHEMBL871028)	Inhibition of FLAG-p66/HIS-p51-mediated HIV1 reverse transcriptase dimerization
50008999	1	ChEMBL_155388 (CHEMBL760747)	Compound was evaluated for its binding affinity against plasmin
50008999	4	ChEMBL_212737 (CHEMBL816555)	Compound was evaluated for its binding affinity against trypsin
50009002	1	ChEMBL_143314 (CHEMBL753016)	In vitro inhibitory concentration against NMDA responses at cloned NR1A/2A receptors expressed in Xenopus oocytes 
50009002	2	ChEMBL_143333 (CHEMBL752250)	In vitro inhibitory concentration against NMDA responses at NR1A/2C receptors expressed in Xenopus oocytes
50009002	3	ChEMBL_143324 (CHEMBL752242)	In vitro inhibitory concentration against NMDA responses at NR1A/2B receptors expressed in Xenopus oocytes
50023158	2	ChEMBL_528612 (CHEMBL973957)	Inhibition of rat DNA polymerase beta in presence of BSA
50023158	1	ChEMBL_528613 (CHEMBL973958)	Inhibition of rat DNA polymerase beta in absence of BSA
50023162	1	ChEMBL_528618 (CHEMBL973963)	Inhibition of xanthine oxidase by spectrophotometry
50023164	1	ChEMBL_528841 (CHEMBL977683)	Inhibition of rat liver microsomal ACAT
50009005	1	ChEMBL_145966 (CHEMBL752817)	The compound was tested for binding affinity against Opioid receptor kappa 1 by using [3H]Diprenorphine as a radioligand
50009005	3	ChEMBL_149330 (CHEMBL756364)	The compound was tested for binding affinity against Opioid receptor mu 1 by using [3H]DAMGO as a radioligand
50009009	1	ChEMBL_63846 (CHEMBL673230)	Inhibition of [125I]ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells
50009009	2	ChEMBL_65646 (CHEMBL678558)	Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells
50009010	2	ChEMBL_218214 (CHEMBL824384)	Inhibition of alpha IIb beta-3 integrin binding to fibrinogen
50009010	1	ChEMBL_214639 (CHEMBL819719)	Inhibition of Vitronectin receptor (alpha V beta 3) binding to fibrinogen
50009012	4	ChEMBL_31991 (CHEMBL646439)	Displacement of [125 I]AB-MECA from Adenosine A3 receptor expressed in HEK cells
50009012	3	ChEMBL_29465 (CHEMBL642194)	Displacement of [3H]-R-PIA from adenosine A1 receptor of rat brain membrane
50009012	2	ChEMBL_29463 (CHEMBL642192)	Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membrane
50009012	1	ChEMBL_31992 (CHEMBL646440)	Displacement of [125 I]AB-MECA from human Adenosine A3 receptor expressed in HEK cells
50009012	5	ChEMBL_30011 (CHEMBL641302)	Displacement of [3H]CGS-21680 from Adenosine A2A receptor of rat striatal membrane at 10e-4 uM
50009013	1	ChEMBL_143879 (CHEMBL751862)	Binding affinity at heteropentameric Nicotinic acetylcholine receptor alpha4-beta2 subtype using [3H]bungarotoxin as radioligand
50009013	2	ChEMBL_144327 (CHEMBL751838)	Binding affinity at homopentameric Nicotinic acetylcholine receptor alpha-7 subtype using [3H]S-(-)-nicotine as radioligand
50018254	2	ChEMBL_385312 (CHEMBL869229)	Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer
50009014	2	ChEMBL_214942 (CHEMBL819393)	Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.
50009017	1	ChEMBL_208546 (CHEMBL814315)	Inhibitory constant against thrombin
50009019	1	ChEMBL_67508 (CHEMBL682292)	Displacement of [3H]17-beta-estradiol from human estrogen receptor alpha
50018257	2	ChEMBL_386501 (CHEMBL870409)	Inhibition of recombinant HIV1 reverse transcriptase
50018258	2	ChEMBL_387456 (CHEMBL870381)	Inhibition of PDE6
50018258	3	ChEMBL_387453 (CHEMBL871523)	Inhibition of PDE5
50018277	5	ChEMBL_424175 (CHEMBL907249)	Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels
50018280	3	ChEMBL_422338 (CHEMBL908723)	Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells
50018280	9	ChEMBL_422337 (CHEMBL908722)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50018280	8	ChEMBL_422346 (CHEMBL908732)	Activity at human MC4R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50018280	5	ChEMBL_422336 (CHEMBL908721)	Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells
50018280	7	ChEMBL_422335 (CHEMBL908720)	Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells
50018280	10	ChEMBL_422344 (CHEMBL908730)	Activity at human MC3R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50018280	11	ChEMBL_422345 (CHEMBL908731)	Activity at human MC5R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50018280	12	ChEMBL_422343 (CHEMBL908729)	Activity at human MC1R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50018305	2	ChEMBL_392436 (CHEMBL913211)	Inverse agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of DPDPE-stimulated [35S]GTP-gamma-S binding in presence of 1 uM GDP
50009029	1	ChEBML_48317	Compound was tested for its inhibitory activity against human osteoclast cathepsin K
50009032	1	ChEBML_27494	Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method
50018312	10	ChEMBL_393078 (CHEMBL870429)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50009040	2	ChEBML_58295	Ability to displace D1 selective radioligand [3H]-SCH- 23390 in bovine striatal membrane preparations was determined
50009040	4	ChEBML_58771	Ability to displace [3H]spiperone from the cloned human D3 dopamine receptor stably expressed in Chinese hamster ovary (CHO) cells was determined.
50009040	5	ChEBML_61181	Binding affinity of compound towards human cloned Dopamine receptor D4.4 expressed in CHO cells using [3H]spiperone as radioligand
50018312	8	ChEMBL_393089 (CHEMBL853473)	Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTP-gamma-S binding
50018312	5	ChEMBL_393086 (CHEMBL870438)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50018312	6	ChEMBL_393087 (CHEMBL870439)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50018312	11	ChEMBL_393085 (CHEMBL870437)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50018312	1	ChEMBL_393079 (CHEMBL870430)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells
50009041	1	ChEBML_66903	Inhibition of Grb2 SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50018312	3	ChEMBL_393077 (CHEMBL870428)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50018351	21	ChEMBL_396655 (CHEMBL871548)	Inhibition of Aurora2 by HTRF kinase assay
50018372	3	ChEMBL_424667 (CHEMBL855117)	Inhibition of human recombinant ACC2
50009044	2	ChEBML_70134	Reduction in the FTase-catalyzed (enzyme purified from bovine brain) incorporation of [3H]-FPP into recombinant Ha-Ras.
50009044	3	ChEBML_70133	Inhibition of [3H]FPP incorporation into recombinant Ha-Ras by bovine brain farnesyltransferase
50009044	4	ChEMBL_70197 (CHEMBL684261)	Inhibition of geranylgeranyl transferase I (GGTase-I)
50018387	3	ChEMBL_424833 (CHEMBL908460)	Inhibition of human CHEK1
50018387	1	ChEMBL_424834 (CHEMBL908461)	Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition
50009050	1	ChEBML_138243	Binding affinity for human cloned Muscarinic M3 receptors
50018450	9	ChEMBL_452974 (CHEMBL902119)	Inhibition of MMP9
50018474	4	ChEMBL_406589 (CHEMBL907693)	Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells
50018474	5	ChEMBL_406590 (CHEMBL907694)	Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells
50018474	6	ChEMBL_406588 (CHEMBL856624)	Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells
50009058	1	ChEBML_209264	Inhibitory activity against binding to Thrombin receptor 1 (PAR-1)
50009060	2	ChEBML_66268	Effective concentration determined was towards FK506 binding protein 12 by competitive binding assay using [3H]-dihydro FK-506 as radioligand
50009060	1	ChEBML_42585	Concentration required for inhibition of serine/threonine protein phosphatase calcineurin (CAN)
50009061	2	ChEBML_66269	Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506
50009061	1	ChEBML_42586	Inhibitory activity against Calcineurin (CaN phosphatase)
50018515	4	ChEMBL_458797 (CHEMBL942097)	Inhibition of human recombinant BACE
50018515	1	ChEMBL_458799 (CHEMBL942099)	Inhibition of human BACE in HEK293 cells by Swedish amyloid inhibition assay
50018527	4	ChEMBL_440733 (CHEMBL889830)	Inhibition of BACE expressed in HEK293 cells
50018527	3	ChEMBL_440731 (CHEMBL889828)	Inhibition of BACE
50009063	1	ChEBML_36051	Inhibition of human placental aromatase, cytochrome P450 19A1
50009064	1	ChEBML_103872	Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purified DRB1*0101
50009065	1	ChEMBL_103873 (CHEMBL712990)	Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purified DRB1*0101
50009067	4	ChEMBL_162118 (CHEMBL766951)	The compound was tested in vitro for the inhibitory activity against Protein tyrosine phosphatase PEST (SH-PTP1) (human PTPases.)
50009067	9	ChEMBL_162592 (CHEMBL768408)	The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1C (SH-PTP1) (human PTPases.)
50009067	7	ChEMBL_162263 (CHEMBL771168)	The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1B (human PTPases.)
50009067	10	ChEMBL_162593 (CHEMBL768409)	The compound was tested in vitro for the inhibitory activity against LAR (human Protein-tyrosine phosphatase F)
50009067	8	ChEMBL_162249 (CHEMBL770116)	The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1 alpha (LRP) (human PTPases.)
50009067	1	ChEMBL_39924 (CHEMBL656536)	The compound was tested in vitro for the inhibitory activity against CD45 antigen (human PTPases.)
50009067	3	ChEMBL_60857 (CHEMBL673361)	The compound was tested in vitro for the inhibitory activity against Dual specificity protein phosphatase 3 (SH-PTP1) (human PTPases.)
50018550	7	ChEMBL_453125 (CHEMBL902271)	Inhibition of human FAP
50018561	2	ChEMBL_426365 (CHEMBL907989)	Inhibition of recombinant HCV 1b BK NS5B polymerase by primer/template-directed transcription assay
50018588	9	ChEMBL_440767 (CHEMBL889864)	Inhibition of MMP14
50018588	10	ChEMBL_440759 (CHEMBL889856)	Inhibition of TACE
50018588	11	ChEMBL_440763 (CHEMBL889860)	Inhibition of MMP9
50018616	2	ChEMBL_432259 (CHEMBL914037)	Inhibition of microsomal neural aminopeptidase in pig kidney
50009077	1	ChEMBL_142767 (CHEMBL750488)	The compound was tested for inhibitory potency against Nicotinic acetylcholine receptor in Rat muscle.
50009079	3	ChEMBL_152400 (CHEMBL764116)	Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro 
50018676	9	ChEMBL_432509 (CHEMBL918803)	Inhibition of MMP14
50018676	10	ChEMBL_432507 (CHEMBL918801)	Inhibition of human recombinant MMP9 expressed in mouse myeloma cells
50018676	11	ChEMBL_432502 (CHEMBL918796)	Inhibition of MMP1
50018676	12	ChEMBL_432505 (CHEMBL918799)	Inhibition of MMP7
50018676	13	ChEMBL_432506 (CHEMBL918800)	Inhibition of MMP8
50018676	14	ChEMBL_432504 (CHEMBL918798)	Inhibition of MMP3
50018676	15	ChEMBL_432508 (CHEMBL918802)	Inhibition of MMP13
50018676	16	ChEMBL_432503 (CHEMBL918797)	Inhibition of human recombinant MMP2 expressed in mouse myeloma cells
50018916	4	ChEMBL_408430 (CHEMBL908865)	Antagonist activity against CRTH2 receptor measured as inhibition of PGD2-induced beta-arrestin translocation in HEK293 cells by BRET assay
50018916	5	ChEMBL_408429 (CHEMBL908864)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells
50009082	20	ChEMBL_58770 (CHEMBL669158)	Binding affinity to the dopamine receptor D2L in rat brain membranes
50009082	17	ChEMBL_84719 (CHEMBL695167)	The compound was tested for binding affinity against H1 receptor
50009082	4	ChEMBL_1458 (CHEMBL616581)	The compound was tested binding affinity against 5-hydroxytryptamine 1A receptor from rat brain using [3H]8-OH-DPAT as radioligand at 10e-6 M.
50009082	1	ChEMBL_60501 (CHEMBL673330)	The compound was tested for binding affinity against human Dopamine receptor D1
50009082	2	ChEMBL_1167 (CHEMBL616112)	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand
50009082	10	ChEMBL_1394 (CHEMBL832874)	The compound was tested for binding affinity against 5-hydroxytryptamine 1B receptor
50009082	14	ChEMBL_2791 (CHEMBL617860)	The compound was tested for binding affinity against 5-hydroxytryptamine 2C receptor
50009082	11	ChEMBL_960 (CHEMBL616138)	The compound was tested for binding affinity against 5-hydroxytryptamine 1A receptor receptor
50009082	18	ChEMBL_62434 (CHEMBL674837)	The compound was tested for binding affinity against human Dopamine receptor D3
50009082	6	ChEMBL_60828 (CHEMBL675817)	The compound was tested for binding affinity against Dopamine receptor D4
50009082	19	ChEMBL_33681 (CHEMBL647838)	The compound was tested for binding affinity against alpha-2D adrenergic receptor
50009082	16	ChEMBL_3757 (CHEMBL620757)	The compound was tested for binding affinity against 5-hydroxytryptamine 7 receptor
50009082	9	ChEMBL_2680 (CHEMBL617928)	The compound was tested for binding affinity against 5-hydroxytryptamine 2A receptor
50009082	3	ChEMBL_3125 (CHEMBL617967)	The compound was tested for binding affinity against 5-hydroxytryptamine 3 receptor
50009082	21	ChEMBL_3657 (CHEMBL620793)	The compound was tested for binding affinity against 5-hydroxytryptamine 6 receptor
50009082	5	ChEMBL_58768 (CHEMBL669156)	The compound was tested for binding affinity against human Dopamine receptor D2L
50009082	8	ChEMBL_61335 (CHEMBL675952)	The compound was tested for binding affinity against human Dopamine receptor D5
50018928	9	ChEMBL_410062 (CHEMBL907163)	Displacement of [125I]NDP-alphaMSH from human MC3 receptor expressed in HEK293 cells
50018928	10	ChEMBL_410061 (CHEMBL907162)	Displacement of [125I]NDP-alphaMSH from human MC1 receptor expressed in HEK293 cells
50018928	6	ChEMBL_410063 (CHEMBL907165)	Displacement of [125I]NDP-alphaMSH from human MC4 receptor expressed in HEK293 cells
50018928	5	ChEMBL_410064 (CHEMBL907167)	Displacement of [125I]NDP-alphaMSH from human MC5 receptor expressed in HEK293 cells
50009082	12	ChEMBL_3316 (CHEMBL619016)	The compound was tested for binding affinity against 5-hydroxytryptamine 4 receptor
50018928	3	ChEMBL_410066 (CHEMBL907169)	Activity at hMC3R transfected in HEK293 cells assessed as intracellular cAMP accumulation
50018977	6	ChEMBL_453746 (CHEMBL885746)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells
50018977	7	ChEMBL_453748 (CHEMBL902954)	Displacement of [3H]naltrindole from human DOP receptor expressed in deltaC6 cells
50018977	8	ChEMBL_453749 (CHEMBL885750)	Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue
50018977	9	ChEMBL_453747 (CHEMBL885747)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells
50018977	5	ChEMBL_453754 (CHEMBL885755)	Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs
50009087	5	ChEMBL_141020 (CHEMBL747509)	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.
50009087	2	ChEMBL_141029 (CHEMBL749383)	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.
50009087	3	ChEMBL_65265 (CHEMBL673956)	Inhibition of ERBB2 receptor autophosphorylation
50009087	4	ChEMBL_33435 (CHEMBL649440)	Inhibition of Alpha-1 adrenergic receptor
50009087	6	ChEMBL_141026 (CHEMBL748097)	Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.
50009087	1	ChEMBL_67055 (CHEMBL674104)	Inhibition of Epidermal growth factor receptor autophosphorylation
50009088	1	ChEMBL_46999 (CHEMBL658968)	Binding affinity towards Cannabinoid receptor 2 in mouse spleen membranes
50009088	2	ChEMBL_46804 (CHEMBL659691)	Binding affinity towards cannabinoid receptor 1 in rat forebrain membranes.
50009090	1	ChEMBL_141439 (CHEMBL751984)	Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells
50009092	2	ChEMBL_58758 (CHEMBL669146)	Inhibition of [3H]raclopride binding to human dopamine D2A receptor expressed in LtK cells
50009093	2	ChEMBL_218872 (CHEMBL820029)	Inhibition of 10 uM 1S, 3R-ACPD stimulated GTP gamma 35S binding to rat mGluR2 expressed in CHO cells
50009093	3	ChEMBL_219001 (CHEMBL873386)	Inhibition of 1S, 3R-ACPD (10 uM)-stimulated GTP gamma 35S binding on rat mGluR2 transfected cell membranes from CHO cells
50009099	6	ChEMBL_159909 (CHEMBL768958)	Inhibition of Prostaglandin G/H synthase 2 in human whole blood
50009099	1	ChEMBL_159747 (CHEMBL762911)	In vitro inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay
50019030	4	ChEMBL_422737 (CHEMBL909833)	Binding affinity to Bclw by FP assay
50019030	5	ChEMBL_422735 (CHEMBL911623)	Binding affinity to Bcl2 by FP assay
50019030	6	ChEMBL_422736 (CHEMBL911622)	Binding affinity to BclXL by FP assay
50019061	6	ChEMBL_453871 (CHEMBL885873)	Inhibition of MMP9
50019061	7	ChEMBL_453872 (CHEMBL885874)	Inhibition of MMP13
50019061	8	ChEMBL_453869 (CHEMBL885871)	Inhibition of MMP1
50019061	9	ChEMBL_453870 (CHEMBL885872)	Inhibition of MMP2
50009104	1	ChEBML_157695	Binding affinity for HIV protease
50009106	1	ChEBML_72494	Inhibitory activity against Growth factor receptor bound protein 2
50019061	10	ChEMBL_453868 (CHEMBL885870)	Inhibition of porcine TACE
50009110	1	ChEMBL_212901 (CHEMBL822094)	Inhibition constant (Ki) against trypsin enzyme.
50009110	2	ChEBML_212901	Inhibition constant (Ki) against trypsin enzyme.
50019079	4	ChEMBL_453906 (CHEMBL885910)	Inhibition of human carboxypeptidase N
50019079	5	ChEMBL_453905 (CHEMBL885909)	Inhibition of porcine pancreatic carboxypeptidase B
50019079	6	ChEMBL_453904 (CHEMBL885908)	Inhibition of human activated thrombin activatable fibrinolysis inhibitor
50019111	10	ChEMBL_438179 (CHEMBL907572)	Inhibition of human recombinant cathepsin C
50019111	11	ChEMBL_438182 (CHEMBL907575)	Inhibition of human recombinant cathepsin H
50009117	1	ChEBML_1420	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand in rat cerebral cortex membranes
50019111	12	ChEMBL_438183 (CHEMBL907576)	Inhibition of human recombinant cathepsin X
50009121	1	ChEMBL_202596 (CHEMBL806420)	Binding affinity against Src-homology 2 (SRC SH2).
50019111	7	ChEMBL_438181 (CHEMBL907574)	Inhibition of human recombinant cathepsin K
50009123	2	ChEMBL_43861 (CHEMBL658521)	Inhibitory activity against recombinant human calpain I
50009123	3	ChEMBL_43670 (CHEMBL656203)	Inhibitory activity against recombinant human Calpain 1
50009123	1	ChEMBL_43873 (CHEMBL658533)	Inhibitory activity against recombinant human calpain I
50009128	1	ChEBML_63654	Evaluated for the inhibition of Human Leukocyte Elastase (HLE) enzyme
50009129	1	ChEBML_96908	Binding affinity against Lck SH2 domain
50009130	1	ChEBML_53716	Compound was evaluated for the inhibition of DNA topoisomerase-1 of calf thymus
50019126	4	ChEMBL_423447 (CHEMBL911100)	Inhibition of GLP1 receptor
50019129	11	ChEMBL_423419 (CHEMBL911094)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells
50019129	12	ChEMBL_423418 (CHEMBL911093)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells
50009131	5	ChEBML_29329	Binding affinity towards rat A1 receptor was determined
50019129	13	ChEMBL_423414 (CHEMBL909382)	Displacement of [125I]CCK8-SO3 from human CCK1 receptor expressed in HEK293 cells
50019129	14	ChEMBL_423417 (CHEMBL909397)	Activity at human CCK2 receptor expressed in HEK293 cells assessed as level of [3H]inositol produced relative to control
50019129	7	ChEMBL_423415 (CHEMBL909387)	Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cells
50009131	7	ChEMBL_30752 (CHEMBL649783)	Binding affinity towards human A2 receptor (hA2) was measured through displacement of [3H]-CGS-21,680 using yeast cell membranes
50019129	8	ChEMBL_423420 (CHEMBL911095)	Activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50009135	1	ChEBML_64352	Concentration required to inhibit conversion of big Endothelin-converting enzyme to Endothelin-converting enzyme after deprotection and purification by reverse-phase HPLC
50009136	3	ChEBML_141327	Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells
50009136	2	ChEMBL_141327 (CHEMBL752906)	Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells
50009137	1	ChEBML_141323	Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay
50009140	4	ChEMBL_160809 (CHEMBL767280)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Phe13 to Gly)
50009140	5	ChEMBL_160930 (CHEMBL769093)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Tyr8 to Gly)
50009140	6	ChEMBL_160931 (CHEMBL769094)	Binding of Indolactam-V(ILV) to wild-type Protein kinase C delta C1b domain
50009140	2	ChEMBL_160927 (CHEMBL767166)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Thr12 to Gly)
50009140	7	ChEMBL_160804 (CHEMBL767275)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Leu20 to Gly)
50009140	3	ChEMBL_160926 (CHEMBL767165)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Pro11 to Gly)
50009140	8	ChEMBL_160803 (CHEMBL767274)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Gln27 to Val)
50009140	1	ChEMBL_160928 (CHEMBL767167)	Binding of Indolactam-V(ILV) to mutant Protein kinase C delta C1b domain (Trp22 to Gly)
50019129	1	ChEMBL_423416 (CHEMBL909395)	Activity at human CCK1 receptor expressed in HEK293 cells assessed as level of [3H]inositol produced relative to control
50019129	10	ChEMBL_423421 (CHEMBL911096)	Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50019135	2	ChEMBL_438214 (CHEMBL907607)	Inhibition of ADAMTS5
50019136	3	ChEMBL_446792 (CHEMBL897091)	Inhibition of ADAMTS5 by FRET assay
50019136	4	ChEMBL_446793 (CHEMBL897092)	Inhibition of ADAMTS4 by FRET assay
50009142	1	ChEMBL_27479 (CHEMBL633041)	Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue
50009142	2	ChEMBL_29611 (CHEMBL642893)	Displacement of [3H]R-PIA from adenosine A1 receptor of Wistar rat forebrain
50019231	9	ChEMBL_454143 (CHEMBL903332)	Inhibition of VEGFR3
50019304	7	ChEMBL_425541 (CHEMBL911378)	Inhibition of MMP9
50019316	5	ChEMBL_454225 (CHEMBL903409)	Inhibition of [3H]glycine uptake at human GlyT2 expressed in HEK293 cells
50019316	6	ChEMBL_454226 (CHEMBL903407)	Displacement of [3H]5-hydroxytrytamine from human 5HT1B receptor expressed in HEK293 cells
50019316	7	ChEMBL_454227 (CHEMBL903410)	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells
50019316	8	ChEMBL_454224 (CHEMBL903408)	Displacement of [3H]NPTS from human GlyT1C expressed in HEK293 cells
50019351	7	ChEMBL_425706 (CHEMBL913688)	Activity at delta opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay
50019351	8	ChEMBL_425713 (CHEMBL913695)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50019351	9	ChEMBL_425712 (CHEMBL913694)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50019363	3	ChEMBL_446848 (CHEMBL897147)	Inhibition of human recombinant ACC2
50009147	1	ChEMBL_68520 (CHEMBL676944)	Binding affinity as Competitive substrate in the presence of 50 gmM aminopterin towards recombinant Human Folyl-polyglutamate synthase (FPGS)
50019407	13	ChEMBL_447090 (CHEMBL897391)	Inhibition of MMP14
50019407	14	ChEMBL_447058 (CHEMBL897359)	Inhibition of pig TACE
50019407	15	ChEMBL_447087 (CHEMBL897388)	Inhibition of MMP9
50019442	20	ChEMBL_442099 (CHEMBL891237)	Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation
50019442	17	ChEMBL_442102 (CHEMBL891240)	Antiproliferative activity against human SW620 cells by soft agar assay
50019442	19	ChEMBL_442106 (CHEMBL891244)	Inhibition of PKA by radiometric assay
50019442	21	ChEMBL_442100 (CHEMBL891238)	Inhibition of cell proliferation in human HeLa cells by MTS assay
50019442	16	ChEMBL_442101 (CHEMBL891239)	Inhibition of G2/M cell population in human H1299 cells by FACS assay
50019442	18	ChEMBL_442114 (CHEMBL891252)	Inhibition of AKT by radiometric assay
50019457	8	ChEMBL_447125 (CHEMBL897424)	Inhibition of human VEGFR3
50019497	3	ChEMBL_428251 (CHEMBL916200)	Inhibition of human recombinant ACC2 expressed in SF9 cells
50019500	12	ChEMBL_425871 (CHEMBL856875)	Binding affinity to human TP receptor expressed in HEK293 cells
50019500	13	ChEMBL_425870 (CHEMBL856874)	Binding affinity to human DP receptor expressed in HEK293 cells
50019500	14	ChEMBL_425880 (CHEMBL907941)	Activity at human TP receptor in platelet rich plasma assessed as inhibition U44619-induced platelet aggregation
50019500	2	ChEMBL_425879 (CHEMBL907940)	Activity at human DP receptor in platelet rich plasma assessed as inhibition of PGD2-induced cAMP accumulation
50019500	15	ChEMBL_425878 (CHEMBL907939)	Activity at human DP receptor in washed platelets assessed as inhibition of PGD2-induced cAMP accumulation
50019500	16	ChEMBL_425900 (CHEMBL907960)	Activity at CRTH2 receptor
50019500	6	ChEMBL_425905 (CHEMBL907965)	Activity at sheep DP receptor by PRP assay
50019521	17	ChEMBL_442379 (CHEMBL892541)	Antiproliferative activity against human H460a cells
50019521	18	ChEMBL_442378 (CHEMBL892540)	Antiproliferative activity against human HCT116 cells
50019521	14	ChEMBL_442380 (CHEMBL892542)	Antiproliferative activity against human SW480 cells
50019521	15	ChEMBL_442383 (CHEMBL892545)	Antiproliferative activity against human RKO cells
50019521	13	ChEMBL_442382 (CHEMBL892544)	Antiproliferative activity against human SJSA1 cells
50019521	21	ChEMBL_442381 (CHEMBL892543)	Antiproliferative activity against human MDA435 cells
50019521	20	ChEMBL_442375 (CHEMBL892537)	Inhibition of GSKp1
50019521	19	ChEMBL_442371 (CHEMBL892533)	Inhibition of AKT
50019521	22	ChEMBL_442372 (CHEMBL892534)	Inhibition of PKCa
50019521	9	ChEMBL_442367 (CHEMBL892529)	Inhibition of CDK1
50019523	4	ChEMBL_435752 (CHEMBL920283)	Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP
50019524	3	ChEMBL_428330 (CHEMBL917108)	Inhibition of human cPLA2 alpha by GLU micelle assay
50019524	2	ChEMBL_428366 (CHEMBL918551)	Binding affinity to human cPLA2 alpha by isothermal calorimetry
50019565	8	ChEMBL_442413 (CHEMBL892575)	Effect on human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50019565	9	ChEMBL_442412 (CHEMBL892574)	Displacement of [125I]NDPalphaMSH from human MC3R expressed in HEK293 cells
50019565	7	ChEMBL_442415 (CHEMBL892577)	Displacement of [125I]NDPalphaMSH from human MC4R expressed in HEK293 cells
50019565	10	ChEMBL_442410 (CHEMBL892572)	Effect on human MC1R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50019565	11	ChEMBL_442416 (CHEMBL892578)	Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50019565	2	ChEMBL_442409 (CHEMBL892571)	Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells
50019565	12	ChEMBL_442418 (CHEMBL892580)	Displacement of [125I]NDPalphaMSH from human MC5R expressed in HEK293 cells
50019635	2	ChEMBL_442619 (CHEMBL892787)	Inhibition of human platelet cPLA2-alpha assessed as arachidonic acid release by vesicle assay
50009152	1	ChEMBL_152391 (CHEMBL765514)	Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)
50009152	2	ChEMBL_152390 (CHEMBL765513)	Affinity for bovine Phenylethanolamine N-Methyltransferase
50019645	3	ChEMBL_454739 (CHEMBL886762)	Agonist activity at human LH receptor expressed in CHO cells assessed as production of cAMP after 60 mins by SPA
50019645	2	ChEMBL_454742 (CHEMBL886764)	Displacement of [125I]hCG from LH receptor
50019672	3	ChEMBL_428663 (CHEMBL915810)	Inhibition of pig kidney microsomal APN
50009153	6	ChEBML_197086	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta
50009153	2	ChEBML_195832	Transcriptional activation in CV-1 cells expressing Retinoic acid receptor RAR beta
50009153	4	ChEBML_195463	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor alpha
50046749	10	ChEMBL_1523544 (CHEMBL3631192)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50046749	8	ChEMBL_1523545 (CHEMBL3631193)	Inhibition of human recombinant carbonic anhydrase 1
50009153	3	ChEBML_197247	Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma
50046749	11	ChEMBL_1523541 (CHEMBL3631189)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50046749	9	ChEMBL_1523548 (CHEMBL3631196)	Inhibition of human recombinant carbonic anhydrase 12
50009154	5	ChEMBL_66270 (CHEMBL678140)	Compound was evaluated for its inhibitory effect on human FK506 binding protein 12 by means of protease-coupled PPIase assay
50009154	6	ChEMBL_153000 (CHEMBL759483)	Inhibition constant(Ki) for inhibition of PPIase activity of Escherichia coli parvulin (Conc=4 nM) of Parvulins sfamily
50009154	4	ChEMBL_66274 (CHEMBL678144)	Inhibition constant(Ki) for inhibition of PPIase activity of human FK506 binding protein 12 (Conc=14 nM) of FKBPs family
50009154	3	ChEMBL_66428 (CHEMBL682336)	Inhibition constant(Ki) for inhibition of PPIase activity of Legionella pneumophilia FK506 binding protein 25 (Conc=40 nM) of FKBPs family
50009154	7	ChEMBL_66430 (CHEMBL682338)	Inhibition constant(Ki) for inhibition of PPIase activity of rabbit FK506 binding protein 52 (Conc=52 nM) of FKBPs family
50009154	2	ChEMBL_154348 (CHEMBL759110)	Inhibition constant(Ki) for inhibition of PPIase activity of human Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Conc=4 nM) of Parvulins family
50009154	1	ChEMBL_66427 (CHEMBL682335)	Inhibition constant(Ki) for inhibition of PPIase activity of Photobacterium sp. FK506 binding protein 22 (Conc=41 nM) of FKBPs family
50009156	1	ChEMBL_28393 (CHEMBL636650)	Enhanced 0.5 nM [3H]CCPA dissociation from adenosine A1 receptor of rat brain cortex membranes compared to 100 uM CPA
50019681	4	ChEMBL_438448 (CHEMBL887548)	Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells
50019701	3	ChEMBL_428861 (CHEMBL917137)	Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr
50019751	4	ChEMBL_461152 (CHEMBL944175)	Inhibition of COX1
50019756	19	ChEMBL_429056 (CHEMBL920439)	Inhibition of KDR by HTRF assay
50019756	10	ChEMBL_429059 (CHEMBL920442)	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA
50019756	20	ChEMBL_429065 (CHEMBL919909)	Inhibition of FLT4
50019756	18	ChEMBL_429070 (CHEMBL919914)	Inhibition of FGFR
50019799	4	ChEMBL_455040 (CHEMBL887069)	Displacement of [3H]diprenorphine from human cloned delta opioid receptor
50019799	7	ChEMBL_455044 (CHEMBL887073)	Agonist activity at human cloned delta opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding
50019799	6	ChEMBL_455039 (CHEMBL887068)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor
50019799	8	ChEMBL_455043 (CHEMBL887072)	Agonist activity at human cloned mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding
50009160	2	ChEMBL_65475 (CHEMBL677305)	Binding affinity towards human Endothelin A receptor (hET -A)
50009160	1	ChEMBL_63675 (CHEMBL670478)	Binding affinity towards human Endothelin B receptor (hET -B)
50009161	2	ChEMBL_65474 (CHEMBL677304)	Binding ability determined by the displacement of [125I]ET1 from the human endothelin A receptor
50009161	1	ChEMBL_63674 (CHEMBL670477)	Binding ability determined by the displacement of [125 I]ET-3 from the human Endothelin B receptor
50019827	3	ChEMBL_429281 (CHEMBL915842)	Activity at GPR109a in CHO cells assessed as inhibition of forskolin-induced cAMP generation
50019827	4	ChEMBL_429282 (CHEMBL915841)	Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation
50019851	3	ChEMBL_455107 (CHEMBL887137)	Inhibition of ROCK2
50019853	9	ChEMBL_438534 (CHEMBL887633)	Binding affinity to MMP9
50019866	3	ChEMBL_429363 (CHEMBL916755)	Inhibition of DNA-PK in HeLa cell nuclear extracts
50019914	5	ChEMBL_434257 (CHEMBL917001)	Inhibition of human platelet COX1 by EIA assay
50019937	4	ChEMBL_455216 (CHEMBL906377)	Inhibition of human ACC2
50019963	2	ChEMBL_443470 (CHEMBL893728)	Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins
50020064	3	ChEMBL_458975 (CHEMBL925070)	Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in human eosinophils
50020064	13	ChEMBL_458994 (CHEMBL926173)	Antagonist activity at CCR3 assessed as eotaxin-induced chemotaxis in BALB/c mouse eosinophils
50020064	9	ChEMBL_458993 (CHEMBL926172)	Displacement of [125I]eotaxin from BALB/c mouse CCR3 expressed in CHO cells after 30 mins
50020064	14	ChEMBL_458974 (CHEMBL925069)	Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins
50020086	5	ChEMBL_443965 (CHEMBL892112)	Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane
50020086	6	ChEMBL_443966 (CHEMBL892113)	Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane
50020086	7	ChEMBL_443964 (CHEMBL892111)	Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane
50020086	8	ChEMBL_443967 (CHEMBL892114)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane
50020104	17	ChEMBL_434530 (CHEMBL914746)	Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot
50020104	19	ChEMBL_434528 (CHEMBL914744)	Inhibition of human KDR kinase by HTRF assay
50020104	3	ChEMBL_434529 (CHEMBL914745)	Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by ELISA
50020104	20	ChEMBL_434539 (CHEMBL914755)	Displacement of [3H]dofetilide from hERG expressed in HEK293 cells
50020104	18	ChEMBL_434548 (CHEMBL914195)	Inhibition of PDGFR by ELISA
50020104	21	ChEMBL_434546 (CHEMBL914193)	Inhibition of Flt1
50020104	15	ChEMBL_434542 (CHEMBL914758)	Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay
50020104	22	ChEMBL_434547 (CHEMBL914194)	Inhibition of Flt4
50020104	23	ChEMBL_434549 (CHEMBL914196)	Inhibition of Flt3
50020104	16	ChEMBL_434561 (CHEMBL913119)	Inhibition of human KDR
50020129	7	ChEMBL_444057 (CHEMBL893220)	Inhibition of FAP
50020130	3	ChEMBL_455437 (CHEMBL886213)	Inhibition of pig kidney microsomal aminopeptidase assessed as liberation of p-nitroanilide
50020132	7	ChEMBL_444084 (CHEMBL893247)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding after 60 mins
50020132	8	ChEMBL_444081 (CHEMBL893244)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane
50020132	4	ChEMBL_444088 (CHEMBL893251)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins
50020132	2	ChEMBL_444087 (CHEMBL893250)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding after 60 mins
50020132	9	ChEMBL_444079 (CHEMBL893242)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane
50020134	4	ChEMBL_444089 (CHEMBL893252)	Inhibition of human BACE1 expressed in HEK293 cells
50020143	3	ChEMBL_438637 (CHEMBL888968)	Inhibition of BACE1
50020179	6	ChEMBL_444184 (CHEMBL892292)	Binding affinity at mouse CCR1
50020179	2	ChEMBL_444182 (CHEMBL892290)	Antagonist activity at human CCR1 expressed in THP1 cells assessed as effect on MIP-1-alpha-induced calcium flux by FLIPR
50020179	7	ChEMBL_444181 (CHEMBL892289)	Displacement of [125I]MIP1-alpha from human CCR1 expressed in THP1 cells
50009163	1	ChEMBL_70270 (CHEMBL681409)	In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay
50020179	3	ChEMBL_444183 (CHEMBL892291)	Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis
50009165	6	ChEMBL_61011 (CHEMBL675016)	Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2
50009165	2	ChEMBL_61957 (CHEMBL671357)	Compound was tested for binding affinity using [3H]spiperone against cloned human Dopamine receptor D3 expressed in CHO-K1 cells
50009165	8	ChEMBL_2243 (CHEMBL617188)	Compound was tested for binding affinity using [3H]ketanserin against 5-hydroxytryptamine 2 receptor
50009165	3	ChEMBL_32915 (CHEMBL645903)	Compound was tested for binding affinity using [3H]MK-912 against Alpha-2 adrenergic receptor
50009165	1	ChEMBL_33455 (CHEMBL649180)	Compound was tested for binding affinity using [3H]prazosin against Alpha-1 adrenergic receptor
50020189	4	ChEMBL_455541 (CHEMBL886320)	Inhibition of VEGFR3
50020217	3	ChEMBL_434973 (CHEMBL919437)	Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation
50020217	8	ChEMBL_434964 (CHEMBL919365)	Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells
50020217	9	ChEMBL_434966 (CHEMBL919367)	Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells
50020217	10	ChEMBL_434971 (CHEMBL919372)	Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation
50009167	1	ChEMBL_72367 (CHEMBL685573)	The compound was evaluated for its potency to inhibit the interaction between Growth factor receptor bound protein 2 and phosphotyrosine-containing peptides derived from Shc Y317
50009167	2	ChEMBL_72487 (CHEMBL685520)	The compound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor receptor bound protein 2 equilibrium constant(Kd) by the Michaelis-Menten type curve-fitting equation
50023171	1	ChEMBL_528872 (CHEMBL978545)	Inhibition of rat DNA polymerase beta
50009169	1	ChEBML_210087	Ability to inhibit human telomerase in a modified cell-free TRAP assay using extracts from A2780 cell line
50009172	2	ChEBML_208526	Inhibitory constant against human thrombin was determined in vitro.
50009172	3	ChEBML_212525	Inhibitory constant against bovine trypsin was determined in vitro.
50009172	1	ChEMBL_208525 (CHEMBL813620)	Inhibitory constant against human thrombin was determined in vitro
50009172	4	ChEMBL_212524 (CHEMBL817588)	Inhibitory constant against bovine trypsin was determined in vitro
50009175	3	ChEBML_212713	Inhibitory concentration required against trypsin was determined
50009175	1	ChEBML_208129	Inhibitory concentration required against thrombin was determined
50020217	7	ChEMBL_434972 (CHEMBL919436)	Agonist activity at human MC3R expressed in CHO cells assessed as cAMP accumulation
50020217	1	ChEMBL_434963 (CHEMBL919364)	Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells
50020268	3	ChEMBL_435111 (CHEMBL914258)	Inhibition of COX1 by radioimmunoassay method
50020286	6	ChEMBL_455658 (CHEMBL886441)	Inhibition of BACE1
50020286	4	ChEMBL_455659 (CHEMBL886442)	Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cells
50020304	2	ChEMBL_436581 (CHEMBL904889)	Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTP-gamma-S binding
50020304	10	ChEMBL_436575 (CHEMBL904883)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane
50020304	11	ChEMBL_436584 (CHEMBL904892)	Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding
50020304	12	ChEMBL_436582 (CHEMBL904890)	Agonist activity at human kappa opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding
50020304	9	ChEMBL_436585 (CHEMBL904893)	Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding
50020304	3	ChEMBL_436577 (CHEMBL904885)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO membrane
50020304	5	ChEMBL_436576 (CHEMBL904884)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane
50009180	3	ChEBML_49191	In vitro inhibitory activity against human Cell division cycle 25 degree C
50009180	2	ChEBML_49027	In vitro inhibitory activity against human Cell division cycle 25B
50009180	1	ChEBML_49006	In vitro inhibitory activity against human Cell division cycle 25A
50020304	1	ChEMBL_436580 (CHEMBL904888)	Agonist activity at human mu opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTPgammaS binding
50020308	15	ChEMBL_461161 (CHEMBL945106)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay
50020308	7	ChEMBL_461165 (CHEMBL945110)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay
50020308	9	ChEMBL_461164 (CHEMBL945109)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay
50009183	1	ChEBML_48696	Inhibitory activity against CCRA (Bacteroides fragilis) metallo-beta-lactamase
50009185	1	ChEBML_160774	Displacement of [3H]-PDBu from human recombinant Protein kinase C delta
50020896	4	ChEMBL_2421888	Antagonist activity at androgen receptor (unknown origin) expressed in HEK293 cells
50020896	5	ChEMBL_2421889	Binding affinity to PARP1 (unknown origin) assessed as inhibition constant
50009186	9	ChEBML_143355	Inhibitory activity against human neuronal nitric oxide synthase (nNOS)
50009186	6	ChEBML_143510	Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)
50009186	8	ChEMBL_60063 (CHEMBL671377)	Binding ability of compound to human Dopamine receptor D2
50009186	5	ChEBML_65295	Inhibitory activity against human endothelial nitric oxide synthase (eNOS)
50009186	2	ChEBML_139671	Binding affinity of compound to m2 muscarinic receptor
50009186	1	ChEBML_2291	Binding affinity of compound to human 5-hydroxytryptamine 2A receptor
50009186	4	ChEBML_61273	Binding affinity of compound to Dopamine receptor D2
50009186	7	ChEBML_906	Binding affinity of compound to human 5-hydroxytryptamine 1A receptor
50009186	3	ChEBML_139799	Binding ability of compound to m4 muscarinic receptor
50009187	6	ChEBML_207978	In vitro inhibitory activity against human enzyme thrombin
50009187	4	ChEMBL_207977 (CHEMBL815803)	In vitro inhibitory activity against by human enzyme thrombin
50009187	3	ChEBML_212702	In vitro evaluation of inhibition of cleavage of the chromogenic substrate by human enzyme trypsin
50009187	1	ChEBML_155068	In vitro inhibitory activity against human enzyme plasmin
50009187	5	ChEMBL_212702 (CHEMBL873901)	In vitro evaluation of inhibition of cleavage of the chromogenic substrate by human enzyme trypsin
50020308	13	ChEMBL_461168 (CHEMBL945113)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay
50020308	5	ChEMBL_461167 (CHEMBL945112)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay
50020308	4	ChEMBL_461163 (CHEMBL945108)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay
50020308	16	ChEMBL_461162 (CHEMBL945107)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay
50020308	6	ChEMBL_461166 (CHEMBL945111)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay
50009191	4	ChEBML_61325	Inhibition of [3H]spiperone binding to human Dopamine receptor D4.4 expressed in CHO cell membranes
50009191	1	ChEBML_60369	Inhibition of [3H]spiperone binding to human Dopamine receptor D2 in CHO cell membranes
50020308	1	ChEMBL_461160 (CHEMBL945105)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay
50009191	3	ChEBML_62428	Inhibition of [3H]spiperone binding to human Dopamine receptor D3 in CHO cell membranes
50020308	11	ChEMBL_461157 (CHEMBL944180)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by aequorin based assay
50020308	8	ChEMBL_461156 (CHEMBL944179)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by aequorin based assay
50020308	14	ChEMBL_461159 (CHEMBL944182)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by aequorin based assay
50009194	1	ChEBML_72010	Compound was evaluated for the binding affinity against glutamate vesicular transport (GVT)
50009196	1	ChEBML_71734	Inhibition of [125I]buserelin to GnRH receptor in rat pituitary membranes.
50009197	2	ChEBML_71726	Binding affinity for Gonadotropin-releasing hormone receptor in rat pituitary membrane at 10 buserelin as radioligand
50009198	1	ChEBML_208905	Evaluation of inhibition of transition state thrombin
50020313	5	ChEMBL_461199 (CHEMBL926138)	Binding affinity to Nav1.7 sodium channel
50020313	8	ChEMBL_461205 (CHEMBL926144)	Inhibition of inactivated human Nav1.7 sodium channel
50020323	2	ChEMBL_447306 (CHEMBL896339)	Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins
50020338	3	ChEMBL_455794 (CHEMBL887800)	Antagonist activity at human recombinant LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activation by luciferase assay
50020366	6	ChEMBL_447409 (CHEMBL896433)	Inhibition of FAP
50020377	3	ChEMBL_436827 (CHEMBL905129)	Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells
50009200	1	ChEMBL_70302 (CHEMBL677849)	Inhibition of [3H]FPP incorporation into recombinant human K-Ras by Farnesyltransferase
50009200	2	ChEMBL_70303 (CHEMBL677850)	Inhibition of [3H]FPP incorporation into recombinant human K-Ras by Farnesyltransferase
50009200	3	ChEMBL_71824 (CHEMBL683655)	Inhibition of [3H]GGPP incorporation into recombinant human RhoA by Geranylgeranyl transferase type I
50009201	2	ChEMBL_154055 (CHEMBL761026)	Compound was tested for agonist activity on human Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV-1 cells
50009201	6	ChEMBL_153707 (CHEMBL759333)	Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor transfected CV-1 cells
50009201	3	ChEMBL_154039 (CHEMBL757754)	Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV-1 cells
50009201	5	ChEMBL_154533 (CHEMBL760254)	Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor gamma-Gal4 chimeric receptor in transfected CV-1 cells
50009201	1	ChEMBL_153377 (CHEMBL763564)	Compound was tested for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected CV-1 cells
50009201	4	ChEMBL_153723 (CHEMBL762051)	Compound was tested for agonist activity on human Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV-1 cells
50020403	4	ChEMBL_447456 (CHEMBL896479)	Displacement of [3H]DPDPE from cloned human delta opioid receptor
50009204	1	ChEMBL_209961 (CHEMBL820617)	Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cells
50009205	1	ChEMBL_67535 (CHEMBL679972)	Inhibitory activity against ErmC methylase
50009205	2	ChEMBL_67531 (CHEMBL679968)	Inhibitory activity against ErmAM methylase
50020408	8	ChEMBL_447908 (CHEMBL898158)	Inhibition of MMP14
50020408	9	ChEMBL_447907 (CHEMBL898157)	Inhibition of MMP9
50020435	27	ChEMBL_447507 (CHEMBL896530)	Inhibition of adrenergic alpha-1A receptor
50020435	7	ChEMBL_447494 (CHEMBL896517)	Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR
50020435	29	ChEMBL_447493 (CHEMBL896516)	Displacement of human recombinant [125I]IL8 from CXCR2 receptor expressed in CHO cells
50020435	30	ChEMBL_447514 (CHEMBL896537)	Inhibition of adrenergic beta2 receptor
50020435	28	ChEMBL_447516 (CHEMBL895415)	Inhibition of adrenergic A1 receptor
50020445	10	ChEMBL_456177 (CHEMBL888187)	Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells
50009210	2	ChEMBL_49161 (CHEMBL872476)	Inhibitory constant against Coagulation factor Xa (factor Xa)
50009210	1	ChEMBL_212326 (CHEMBL818252)	Inhibitory constant against trypsin
50020447	5	ChEMBL_456211 (CHEMBL888221)	Inhibition of MMP14
50020455	3	ChEMBL_456241 (CHEMBL888251)	Antagonist activity at human mGluR1 receptor expressed in 132N1 cells assessed as inhibition of glutamate-induced calcium flux by FLIPR assay
50020465	4	ChEMBL_456298 (CHEMBL888309)	Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells
50020500	2	ChEMBL_456344 (CHEMBL888355)	Inhibition of Chk1
50009216	1	ChEMBL_143025 (CHEMBL750039)	Tachykinin receptor 1 antagonistic activity as ability to inhibit [125I]BH-SP binding in human IM-9 cells (lymphoblast cells)
50009218	3	ChEMBL_155432 (CHEMBL765097)	Inhibitory activity against plasmin
50009218	2	ChEMBL_152656 (CHEMBL761582)	Inhibitory activity against papain
50009218	1	ChEMBL_47628 (CHEMBL659837)	Inhibitory activity against Cathepsin B
50009228	3	ChEBML_158320	Affinity at human EP3 receptor.
50009228	2	ChEBML_158177	Affinity at human EP1 receptor.
50009228	1	ChEBML_158303	Affinity at human EP2 receptor.
50009228	4	ChEBML_158457	Compound was evaluated for its secondary binding affinity to human FP receptors by using Aequorin luminescence-based functional calcium assay
50009228	5	ChEBML_158335	Affinity at human EP4 receptor.
50009228	8	ChEBML_158475	Compound was evaluated for its secondary binding affinity to human TP receptors by using Aequorin luminescence-based functional calcium assay
50009228	7	ChEBML_158470	Compound was evaluated for its secondary binding affinity to human IP receptors by using Aequorin luminescence-based functional calcium assay
50009228	6	ChEBML_158170	Compound was evaluated for its secondary binding affinity to human DP receptors by using Aequorin luminescence-based functional calcium assay
50009235	1	ChEBML_196744	Affinity and reactivity of an affinity-labeling reagent, was assessed from the inhibitory constant value
50020507	8	ChEMBL_448089 (CHEMBL898345)	Displacement of [125I]NDP-MSH from MC3R receptor in HEK293 cells
50020507	9	ChEMBL_448102 (CHEMBL898358)	Binding affinity to C57BL/6J mouse MC4 receptor
50020507	2	ChEMBL_448091 (CHEMBL898347)	Agonist activity at human MC4 receptor in HEK293 cells assessed as inhibition of alpha-MSH stimulated cAMP production
50020525	4	ChEMBL_437131 (CHEMBL906528)	Binding affinity to delta opioid receptor
50020615	47	ChEMBL_439660 (CHEMBL888775)	Binding affinity at mGluR1
50020615	48	ChEMBL_439682 (CHEMBL888793)	Displacement of [125I]pindolol from adrenergic beta-2 receptor
50020615	49	ChEMBL_439695 (CHEMBL888806)	Displacement of [3H]DADLE from delta opioid receptor
50020615	50	ChEMBL_439646 (CHEMBL888761)	Displacement of [3H]MPEP from mGluR5 in rat brain membrane
50020615	51	ChEMBL_439679 (CHEMBL888790)	Displacement of [3H]cholidine from adrenergic alpha-2B receptor
50020632	5	ChEMBL_447749 (CHEMBL895643)	Displacement of [125I]NDP-alphaMSH from human melanocortin 3 receptor expressed in CHOK1 cells
50020632	6	ChEMBL_447747 (CHEMBL895641)	Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells
50009237	3	ChEBML_142762	Nicotinic acetylcholine receptor binding activity was determined by ability to displace [3H]- (-) cytisine binding from whole rat brain synaptic membranes.
50009237	2	ChEBML_142761	Nicotinic acetylcholine receptor binding activity was determined by ability to displace [125I]alpha-BgT binding to rat brain membrane
50009238	3	ChEBML_210648	Binding affinity against trypsin
50009238	7	ChEBML_69683	Binding affinity against serine protease factor Xa (fXa)
50009238	13	ChEBML_208048	Binding affinity against tissue plasminogen activator (t-Pa)
50009238	9	ChEMBL_69683 (CHEMBL682020)	Binding affinity against serine protease factor Xa (fXa)
50009238	11	ChEMBL_197822 (CHEMBL802351)	Binding affinity against serine protease factor Xa (fXa)
50009238	6	ChEBML_155600	Binding affinity against plasmin
50009238	12	ChEBML_209093	Binding affinity against thrombin
50009238	5	ChEBML_27872	Binding affinity against activated protein C (APC)
50009238	1	ChEBML_155405	Inhibitory activity against plasmin in rat
50009238	10	ChEMBL_209093 (CHEMBL813434)	Binding affinity against thrombin
50009238	8	ChEMBL_208048 (CHEMBL812490)	Binding affinity against tissue plasminogen activator (t-Pa)
50009238	4	ChEMBL_210648 (CHEMBL811610)	Binding affinity against trypsin
50009238	2	ChEMBL_155600 (CHEMBL766335)	Binding affinity against plasmin
50009242	1	ChEMBL_31158 (CHEMBL646623)	In vitro inhibitory activity against yeast Alcohol dehydrogenase
50009245	1	ChEMBL_157724 (CHEMBL763397)	Inhibitory activity against HIV-1 Protease expressed in Escherichia coli
50020660	2	ChEMBL_448369 (CHEMBL898630)	Inhibition of human Chk1
50020663	5	ChEMBL_439903 (CHEMBL890222)	Inhibition of human recombinant MMP9 after 1 hr
50020664	1	ChEMBL_439908 (CHEMBL890225)	Inhibition of BACE1 by ECL assay
50020664	3	ChEMBL_439909 (CHEMBL890226)	Inhibition of BACE1 assessed as effect on soluble APPbeta N-terminal fragment secretion in HEK293T cells
50020680	2	ChEMBL_440099 (CHEMBL890410)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as effect on intracellular calcium influx
50009249	2	ChEMBL_144494 (CHEMBL754800)	Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)
50009249	1	ChEMBL_144513 (CHEMBL752524)	Inhibitory activity against Nitric oxide synthase
50009249	3	ChEMBL_144495 (CHEMBL754801)	Inhibitory activity against Nitric oxide synthase (derived from porcine brain cerebellum)
50020688	2	ChEMBL_440115 (CHEMBL890426)	Inhibition of alpha-glucosidase by enzyme inhibition assay
50020697	4	ChEMBL_456687 (CHEMBL924068)	Blockade of human Nav1.7 by FRET assay
50020697	5	ChEMBL_456707 (CHEMBL923065)	Displacement of [3H]diltiazem from human Cav1.2 expressed in HEK293 cells
50020697	1	ChEMBL_456700 (CHEMBL923058)	Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology
50009259	1	ChEMBL_29889 (CHEMBL641960)	Displacement of [3H]AB-MECA from human Adenosine A3 receptor expressed in HEK cells
50009259	2	ChEMBL_30134 (CHEMBL641176)	Displacement of [3H]CGS-21680 from Adenosine A2A receptor of rat striatal membranes.
50009259	3	ChEMBL_29488 (CHEMBL873045)	Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membranes
50009260	2	ChEMBL_141330 (CHEMBL752909)	Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells
50009260	1	ChEMBL_141329 (CHEMBL752908)	Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells
50009261	1	ChEMBL_48915 (CHEMBL660745)	Inhibition of the Pancreatic Cholesterol Esterase from porcine
50009262	1	ChEMBL_2597 (CHEMBL617465)	Compound was tested for binding affinity using [3H]MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.
50009264	3	ChEMBL_86905 (CHEMBL698415)	In vitro binding affinity against histamine H3 receptor from synaptosomes of rat cerebral cortex
50009264	2	ChEMBL_86737 (CHEMBL693462)	In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex
50009264	1	ChEMBL_86733 (CHEMBL693458)	In vitro binding affinity against histamine H3 receptor from synaptosomes of rat cerebral cortex
50020715	8	ChEMBL_440141 (CHEMBL890452)	Inhibition of MMP14
50023193	1	ChEMBL_529228 (CHEMBL977755)	Inhibition of 5-lipoxygenase in Wistar rat peritoneal leukocytes
50009266	4	ChEBML_139530	Compound was tested for its binding affinity against M1 human recombinant muscarinic receptor in CHO cells.
50009266	1	ChEMBL_144339 (CHEMBL750231)	The compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.
50020715	9	ChEMBL_440140 (CHEMBL890451)	Inhibition of MMP9
50009266	3	ChEMBL_139530 (CHEMBL746586)	Compound was tested for its binding affinity against M1 human recombinant muscarinic receptor in CHO cells.
50009266	5	ChEBML_144339	The compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.
50009268	9	ChEBML_143329	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2C receptor expressed in Xenopus oocytes
50009268	1	ChEMBL_143332 (CHEMBL752249)	The compound was tested in vitro for activity against NR1A/2C sub type of NMDA receptor
50009268	7	ChEMBL_143331 (CHEMBL752248)	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2C receptor expressed in Xenopus oocytes
50009268	5	ChEMBL_143312 (CHEMBL753014)	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2A receptor expressed in Xenopus oocytes
50009268	4	ChEMBL_143321 (CHEMBL750404)	The compound was tested in vitro for activity against NR1A/2B sub type of NMDA receptor
50009268	8	ChEBML_143313	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2A receptor expressed in Xenopus oocytes
50009268	6	ChEMBL_143313 (CHEMBL753015)	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2A receptor expressed in Xenopus oocytes
50009268	3	ChEMBL_143330 (CHEMBL883551)	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2C receptor expressed in Xenopus oocytes
50009268	12	ChEMBL_143311 (CHEMBL753013)	Compound was tested in vitro for inhibition of NMDA response at cloned NR1A/2A receptor expressed in Xenopus oocytes
50009269	2	ChEBML_76082	Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations
50009270	1	ChEBML_101934	Inhibitory activity against matrix metalloprotease-2 (MMP-2).
50020728	7	ChEMBL_448540 (CHEMBL897689)	Agonist activity at human delta opioid receptor expressed in CHO membrane by [35S]GTPgammaS binding assay
50020728	2	ChEMBL_448536 (CHEMBL896540)	Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane
50009272	5	ChEMBL_162175 (CHEMBL766695)	Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte
50020728	8	ChEMBL_448535 (CHEMBL896539)	Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane
50020728	9	ChEMBL_448537 (CHEMBL896541)	Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane
50020798	5	ChEMBL_448689 (CHEMBL896689)	Displacement of [125I]NDP-MSH from MC1 receptor in mouse B16 cells
50020798	6	ChEMBL_448691 (CHEMBL896691)	Displacement of [125I]NDP-MSH from human recombinant MC3 receptor expressed in Sf9 cells
50020798	7	ChEMBL_448693 (CHEMBL897839)	Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells
50009276	1	ChEBML_211021	Compound was tested for inhibition of Staphylococcus aureus tyrosyl tRNA Synthetase
50009277	2	ChEBML_63810	Inhibitory activity against human Elastase at 100 uM concentration
50009281	3	ChEBML_101909	Inhibition of Gel-A MMP-2
50009281	1	ChEBML_102108	Inhibition of HNC MMP-8
50009281	5	ChEBML_101904	Inhibition of Coll-3 MMP-13
50009281	2	ChEBML_101945	Inhibition of Strom-1 MMP-3
50009281	4	ChEBML_101750	Inhibition of HFC MMP-1
50020798	8	ChEMBL_448695 (CHEMBL897841)	Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells
50009285	1	ChEMBL_53497 (CHEMBL665621)	Inhibition of recombinant Dihydrofolate reductase from humans.
50009285	4	ChEMBL_53606 (CHEMBL664357)	Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.
50009285	3	ChEMBL_55095 (CHEMBL665356)	Inhibition of recombinant Dihydrofolate reductase from Leishmania major.
50009285	2	ChEMBL_54288 (CHEMBL666807)	Inhibition of recombinant Dihydrofolate reductase from humans.
50009288	2	ChEMBL_152399 (CHEMBL764115)	In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).
50009289	3	ChEMBL_3181 (CHEMBL617709)	Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]zacopride as radioligand
50009289	2	ChEMBL_3180 (CHEMBL617708)	The compound was tested for binding affinity against 5-hydroxytryptamine 3 receptor from NG108-15 cells using [3H]zacopride as radioligand
50009289	1	ChEMBL_140911 (CHEMBL747899)	Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]guanidinium uptake on NG108-15 cells.
50009289	4	ChEMBL_3179 (CHEMBL617707)	The compound was tested for binding affinity against 5-hydroxytryptamine 3 receptor from NG108-15 cells (using [3H]zacopride as radioligand)
50009292	1	ChEMBL_140543 (CHEMBL748771)	Displacement of [3H]-5-7 dichlorokynurenic acid ([3H]- DCKA) from N-methyl-D-aspartate glutamate receptor glycine site of rat brain membrane homogenate
50009292	2	ChEMBL_141027 (CHEMBL748098)	Antagonistic activity for suppression of membrane current response elicited by fixed concentration of glycine and glutamate in Xenopus oocyte expressing N-methyl-D-aspartate glutamate receptor 1/2B
50009295	1	ChEMBL_208887 (CHEMBL814944)	Binding affinity against thrombin
50009296	3	ChEMBL_196757 (CHEMBL800546)	Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR alpha
50009296	1	ChEMBL_197217 (CHEMBL798965)	Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR gamma
50009296	4	ChEMBL_197057 (CHEMBL804833)	Transcriptional activation of CV-1 cells expressing murine Retinoid X receptor RXR beta
50009296	5	ChEMBL_197394 (CHEMBL799713)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR alpha
50009296	6	ChEMBL_195994 (CHEMBL800483)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR gamma
50009296	2	ChEMBL_195482 (CHEMBL798904)	Transcriptional activation in CV-1 cells expressing human Retinoic acid receptor RAR beta
50009298	1	ChEMBL_66272 (CHEMBL678142)	The compound was tested for binding affinity against human FK506 binding protein 12
50020813	4	ChEMBL_444757 (CHEMBL895004)	Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells
50020813	5	ChEMBL_444758 (CHEMBL895005)	Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells
50020813	6	ChEMBL_444756 (CHEMBL895003)	Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells
50020824	3	ChEMBL_456973 (CHEMBL923316)	Inhibition of [14C]glycine reuptake at human GlyT2 expressed in BE(2)-C cells
50020824	4	ChEMBL_456972 (CHEMBL924334)	Inhibition of [14C]glycine reuptake at human GlyT1 expressed in BE(2)-C cells
50023216	1	ChEMBL_524388 (CHEMBL973750)	Displacement of [3H]DPCPX from rat brain adenosine A1 receptor
50009313	2	ChEBML_61187	Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO cells
50009313	4	ChEBML_60337	Displacement of [3H]SCH-23390 from bovine striatal membrane Dopamine receptor D1
50009313	1	ChEBML_62284	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells
50009314	3	ChEBML_212167	Tested for inhibition of trypsin
50009314	11	ChEMBL_155743 (CHEMBL760893)	Tested for inhibition of plasminogen activator urokinase (microPa)
50009314	4	ChEBML_155241	Tested for inhibition of plasmin
50009314	2	ChEBML_210604	Compound was tested for inhibition of thrombin
50009314	10	ChEBML_48478	Compound was tested for inhibition of Coagulation factor X
50009314	1	ChEBML_157258	Compound was tested for inhibition of plasma kallikrein
50009314	8	ChEMBL_155744 (CHEMBL760894)	Compound was tested for inhibition of plasminogen activator urokinase (microPa).
50009314	5	ChEBML_212509	Compound was tested for inhibition of trypsin
50009314	9	ChEBML_155744	Compound was tested for inhibition of plasminogen activator urokinase (microPa).
50009317	1	ChEBML_88888	Inhibitory activity against IgE receptor
50009318	3	ChEBML_34410	Inhibitory activity against alpha-glucosidase from rat intestinal maltase
50020836	5	ChEMBL_457029 (CHEMBL924393)	Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells
50009318	1	ChEBML_34126	Inhibitory activity against alpha-fucosidase from bovine epididymis
50020891	33	ChEMBL_444965 (CHEMBL894121)	Inhibition of human recombinant Chk1
50020891	34	ChEMBL_444997 (CHEMBL894155)	Inhibition of recombinant cTAK by radiometric assay
50009321	1	ChEBML_67053	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50020891	35	ChEMBL_444996 (CHEMBL894117)	Inhibition of recombinant Aurora2 by radiometric assay
50020891	32	ChEMBL_445021 (CHEMBL894174)	Inhibition of recombinant PDGFR by radiometric assay
50020891	30	ChEMBL_444966 (CHEMBL894122)	Antiproliferative activity against HeLa cells by MTS assay
50020891	31	ChEMBL_445007 (CHEMBL894162)	Inhibition of recombinant PKA by radiometric assay
50020891	36	ChEMBL_445031 (CHEMBL894184)	Cell cycle arrest in HeLa cells assessed as accumulation at G2/M phase by FACS assay
50020909	4	ChEMBL_445190 (CHEMBL894338)	Inhibition of human recombinant aurora B kinase
50020909	5	ChEMBL_445189 (CHEMBL894337)	Inhibition of human recombinant aurora A kinase
50009327	1	ChEBML_144514	Inhibition of bovine endothelial nitric oxide synthase catalyzed [14C]L-citrulline production at a compound concentration of 1 mM in presence of 50 uM L-arginine
50009327	3	ChEBML_144515	Inhibition of purified mouse inducible nitric oxide synthase catalyzed [14C]L-citrulline production at a compound concentration of 1 mM in presence of 50 uM L-arginine
50009327	2	ChEBML_144516	Inhibition of rat neuronal nitric oxide synthase catalyzed [14C]L-citrulline production at a compound concentration of 1 mM in presence of 50 uM L-arginine
50009329	1	ChEBML_209602	Binding affinity to human platelet TXA2 receptors as ability to displace binding [3H]SQ-29,548
50020909	6	ChEMBL_445191 (CHEMBL894339)	Inhibition of human recombinant aurora C kinase
50009337	1	ChEBML_217767	Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70)
50009337	4	ChEMBL_206951 (CHEMBL814839)	Affinity for Syk protein tyrosine kinase
50009337	2	ChEBML_202618	Affinity for Src protein tyrosine kinase
50009337	3	ChEBML_206951	Affinity for Syk protein tyrosine kinase
50009337	5	ChEMBL_202618 (CHEMBL805363)	Affinity for Src protein tyrosine kinase
50009337	6	ChEMBL_217767 (CHEMBL824030)	Affinity for Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70)
50020944	4	ChEMBL_457132 (CHEMBL940741)	Inhibition of PDE11
50020988	12	ChEMBL_445841 (CHEMBL896135)	Inhibition of CYP2A6
50021012	3	ChEMBL_449057 (CHEMBL899315)	Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50021012	7	ChEMBL_449058 (CHEMBL899316)	Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50021012	8	ChEMBL_449059 (CHEMBL899317)	Antagonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50021012	6	ChEMBL_449062 (CHEMBL898267)	Displacement of [3H]bremazocine from human delta opioid receptor expressed in CHO cells in presence of high sodium by SPA
50021012	5	ChEMBL_449061 (CHEMBL899319)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of high sodium by SPA
50021012	9	ChEMBL_449060 (CHEMBL899318)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells in presence of high sodium by SPA
50021021	3	ChEMBL_446023 (CHEMBL895119)	Inhibition of human Chk1 expressed in Sf9 cells
50021041	2	ChEMBL_449199 (CHEMBL899464)	Inhibition of BACE1 by FRET assay
50021078	5	ChEMBL_457385 (CHEMBL941904)	Antagonist activity at human MC3R assessed as stimulation of cAMP production
50021078	6	ChEMBL_457384 (CHEMBL941903)	Antagonist activity at human MC4R assessed as stimulation of cAMP production
50021078	3	ChEMBL_457383 (CHEMBL941902)	Binding affinity to human MC4R
50009348	3	ChEBML_143135	Norepinephrine transporter activity was determined by inhibition of monoamine [3H]-NE reuptake
50009348	1	ChEBML_202305	Inhibition of monoamine [3H]5-HT reuptake
50009348	2	ChEBML_62945	Binding affinity against dopamine transporter (DAT) was evaluated using competitive binding assay and [3H]mazindol as a radioligand
50009349	1	ChEBML_79472	Binding affinity for HIV -1 Protease
50021083	2	ChEMBL_457402 (CHEMBL941921)	Inhibition of recombinant CHK1
50009354	8	ChEMBL_31378 (CHEMBL644670)	Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells
50009354	2	ChEMBL_27591 (CHEMBL644311)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells
50009354	3	ChEMBL_29461 (CHEMBL642190)	Displacement of [3H]DPCPX from Adenosine A1 receptor of rat brain membranes
50009354	7	ChEMBL_30013 (CHEMBL641304)	Displacement of [3H]-SCH- 58261 from Adenosine A2A receptor in rat striatal membranes
50009354	5	ChEMBL_30753 (CHEMBL649784)	Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in HEK293 cells
50021094	3	ChEMBL_457438 (CHEMBL941010)	Inhibition of Chk1 by fluorescence assay
50009358	2	ChEMBL_104726 (CHEMBL710727)	Inhibitory concentration against human matrix metalloprotease-3 (MMP-3)
50009358	1	ChEMBL_105071 (CHEMBL711316)	Inhibitory concentration against human matrix metalloprotease-8 (human neutrophil collagenase, MMP-8)
50021112	3	ChEMBL_457475 (CHEMBL941993)	Inhibition of COX1
50021113	11	ChEMBL_449486 (CHEMBL899758)	Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assay
50021113	12	ChEMBL_449488 (CHEMBL899755)	Binding affinity at human MC3R
50021113	2	ChEMBL_449484 (CHEMBL899759)	Binding affinity at human MC4R
50021113	13	ChEMBL_449491 (CHEMBL899750)	Binding affinity at mouse MC4R
50021113	14	ChEMBL_449490 (CHEMBL899752)	Binding affinity at rat MC3R
50021126	17	ChEMBL_449556 (CHEMBL899826)	Inhibition of Tie2
50021126	18	ChEMBL_449558 (CHEMBL899828)	Inhibition of INSR
50021129	4	ChEMBL_457566 (CHEMBL922766)	Inhibition of human cloned cPLA2 expressed in HEK293 cells
50021133	6	ChEMBL_457568 (CHEMBL922768)	Displacement of [3H]p-Cl-DPDPE from delta opioid receptor
50021133	5	ChEMBL_457576 (CHEMBL922776)	Activity at delta opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding
50021133	4	ChEMBL_457575 (CHEMBL922775)	Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding
50021135	5	ChEMBL_449625 (CHEMBL898720)	Displacement of [3H]deltorphin 2 from delta opioid receptor
50021149	2	ChEMBL_449642 (CHEMBL898740)	Inhibition of BACE1
50021152	3	ChEMBL_457667 (CHEMBL923944)	Agonist activity at human GLP1 assessed as stimulation of cAMP
50021152	1	ChEMBL_457669 (CHEMBL923946)	Effect on augmentation of [125]GLP1 binding to human GLP1
50021224	4	ChEMBL_457827 (CHEMBL924097)	Inhibition of 15-hLO2
50021270	4	ChEMBL_457995 (CHEMBL925326)	Inhibition of mouse HDAC6 expressed in 293T cells
50021276	2	ChEMBL_458019 (CHEMBL924288)	Activation of Drosophila melanogaster ryanodine receptor in Sf9 cells assessed as induction of calcium mobilization
50021306	2	ChEMBL_458097 (CHEMBL924359)	Inhibition of human sodium channel Nav1.7 by FRET assay
50009363	1	ChEMBL_35127 (CHEMBL648490)	The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.
50021324	1	ChEMBL_458173 (CHEMBL924430)	Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells
50021324	3	ChEMBL_458174 (CHEMBL924431)	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium by FLIPR method
50009365	1	ChEMBL_201590 (CHEMBL808280)	Affinity against Sigma opioid receptor type 2 using [3H]- DTG in rat liver membranes
50009365	2	ChEMBL_201431 (CHEMBL809834)	Affinity against Sigma opioid receptor type 1 using [3H](+)-pentazocine in guinea pig brain membranes
50021339	2	ChEMBL_458175 (CHEMBL924433)	Inhibition of human Chk1 expressed in baculovirus by time-resolved fluorescence assay
50009369	1	ChEMBL_87885 (CHEMBL698803)	Inhibition of maize Histone deacetylase 2 (HD-2) activity
50021381	5	ChEMBL_458265 (CHEMBL924511)	Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP level
50021389	5	ChEMBL_450444 (CHEMBL900728)	Inhibition of COX1 in human whole blood assessed as TXB2 production
50021394	11	ChEMBL_450506 (CHEMBL900803)	Displacement of [125I]NDP-MSH from human MC3R
50021394	12	ChEMBL_450504 (CHEMBL900801)	Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release
50021394	7	ChEMBL_450502 (CHEMBL900799)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50021394	13	ChEMBL_450524 (CHEMBL900815)	Binding affinity at mouse MC4R
50021401	3	ChEMBL_450654 (CHEMBL900937)	Antagonist activity at human TRPV1 receptor
50021425	4	ChEMBL_450774 (CHEMBL899859)	Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay
50021436	2	ChEMBL_450842 (CHEMBL899928)	Inhibition of Chk1 enzyme by radiometric assay
50009374	1	ChEMBL_70658 (CHEMBL678648)	Compound was tested for the inhibition of Gamma-amino-N-butyrate transaminase (GABA-AT)
50009375	1	ChEMBL_159781 (CHEMBL763106)	compound was evaluated for the inhibition of HIV-1 protease
50009375	2	ChEMBL_157560 (CHEMBL763312)	Compound was evaluated for its binding affinity against HIV-1 protease
50021439	7	ChEMBL_450850 (CHEMBL899936)	Binding affinity at human MC3 receptor
50021439	4	ChEMBL_450846 (CHEMBL899932)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as cAMP accumulation by ELISA
50021439	3	ChEMBL_450845 (CHEMBL899931)	Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells
50021439	8	ChEMBL_450848 (CHEMBL899934)	Antagonist activity at human MC4 receptor expressed in CHO cells assessed as inhibition of alpha-MSH-stimulated of cAMP production by ELISA
50021444	10	ChEMBL_450884 (CHEMBL899970)	Inhibition of human CYP2A6 after 10 mins
50021444	11	ChEMBL_450878 (CHEMBL899964)	Inhibition of recombinant aurora B kinase
50021541	3	ChEMBL_458671 (CHEMBL942954)	Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release
50021541	8	ChEMBL_458673 (CHEMBL942956)	Binding affinity to MC3R
50021541	9	ChEMBL_458679 (CHEMBL942962)	Agonist activity at MC4R assessed as stimulation of cAMP release
50021541	7	ChEMBL_458669 (CHEMBL942952)	Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells
50021541	10	ChEMBL_458678 (CHEMBL942961)	Binding affinity to mouse MC4R
50021541	4	ChEMBL_458674 (CHEMBL942957)	Binding affinity to MC5R
50021650	5	ChEMBL_451976 (CHEMBL901134)	Inhibition of BACE1 by SPR assay
50021650	2	ChEMBL_451977 (CHEMBL901135)	Inhibition of BACE1 by FRET assay
50021650	3	ChEMBL_451978 (CHEMBL901136)	Inhibition of human full length BACE1 expressed in HEK293 cells
50021650	4	ChEMBL_451979 (CHEMBL901137)	Inhibition of BACE1 by IGEN assay
50009380	3	ChEMBL_33740 (CHEMBL647055)	In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes
50009380	2	ChEMBL_32452 (CHEMBL643400)	In vitro binding affinity against alpha-1D adrenergic receptor of human liver microsomes.
50009380	6	ChEMBL_34458 (CHEMBL651990)	In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.
50009380	4	ChEMBL_146311 (CHEMBL758858)	Binding affinity against opioid receptor
50009380	1	ChEMBL_149312 (CHEMBL874639)	Inhibitory concentration against Opioid receptor mu 1 using [3H]DAMGO ligand
50009380	5	ChEMBL_149453 (CHEMBL758204)	Binding affinity against Opioid receptor mu 1
50009381	2	ChEMBL_33741 (CHEMBL647056)	In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.
50009381	1	ChEMBL_32453 (CHEMBL643401)	In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.
50009381	3	ChEMBL_34459 (CHEMBL651991)	In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.
50009381	4	ChEMBL_149343 (CHEMBL756444)	Binding affinity against opioid receptor using [3H]-DAMGO as radioligand.
50021672	15	ChEMBL_452171 (CHEMBL900283)	Displacement of [125I]NDPMSH from human MC3R expressed in HEK293 cells
50021672	16	ChEMBL_452174 (CHEMBL900286)	Antagonist activity at human MC4R expressed in HEK293 cells assessed as inhibition of alpha-MSH-stimulated cAMP production
50021672	6	ChEMBL_452172 (CHEMBL900284)	Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells
50021672	17	ChEMBL_452227 (CHEMBL901379)	Binding affinity to mouse MC4R
50021672	18	ChEMBL_452248 (CHEMBL901400)	Binding affinity to GHSR
50021672	7	ChEMBL_452234 (CHEMBL901386)	Agonist activity at GHSR
50021720	1	ChEMBL_461478 (CHEMBL927489)	Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay
50021720	6	ChEMBL_461472 (CHEMBL927483)	Binding affinity at human LXRbeta
50021720	3	ChEMBL_461476 (CHEMBL927487)	Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay
50021720	7	ChEMBL_461473 (CHEMBL927484)	Binding affinity at human LXRalpha
50021767	7	ChEMBL_459996 (CHEMBL944039)	Inhibition of MMP14
50021767	8	ChEMBL_459994 (CHEMBL944037)	Inhibition of MMP9
50021795	7	ChEMBL_461667 (CHEMBL927688)	Binding affinity to MMP9
50021795	1	ChEMBL_461662 (CHEMBL927683)	Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay
50021795	8	ChEMBL_461663 (CHEMBL927684)	Binding affinity to ADAM10
50009384	1	ChEMBL_89964 (CHEMBL699739)	Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal cortex microsomes.
50021795	9	ChEMBL_461665 (CHEMBL927686)	Binding affinity to MMP2
50021900	10	ChEMBL_461759 (CHEMBL927765)	Inhibition of HDAC5
50021946	5	ChEMBL_461856 (CHEMBL927849)	Inhibition of human NEU3 expressed in HEK293 cells
50021947	7	ChEMBL_461862 (CHEMBL927855)	Inhibition of ADAM10
50021947	8	ChEMBL_461866 (CHEMBL927859)	Inhibition of MMP9
50021947	6	ChEMBL_461861 (CHEMBL927854)	Inhibition of HER2 sheddase in human BT474 cells
50009386	1	ChEMBL_70735 (CHEMBL680528)	In vitro inhibitory activity against Farnesyltransferase (FTase)
50009387	3	ChEMBL_53462 (CHEMBL665587)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Toxoplasma gondii.
50009387	2	ChEMBL_55113 (CHEMBL665440)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Rat liver
50009387	6	ChEMBL_55105 (CHEMBL665365)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Mycobacterium avium
50009387	5	ChEMBL_55114 (CHEMBL665441)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Rat liver. 
50009387	1	ChEMBL_52978 (CHEMBL664186)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Pneumocystis carinii.
50009387	7	ChEMBL_55106 (CHEMBL665366)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Mycobacterium avium
50009387	4	ChEMBL_53463 (CHEMBL665588)	Inhibitory activity against DHFR (Dihydrofolate reductase) from Toxoplasma gondii.
50009388	1	ChEMBL_218210 (CHEMBL824380)	Inhibition of fibrinogen binding to purified human alpha IIb beta-3 integrin (GP IIb-IIIa)
50009389	4	ChEMBL_212750 (CHEMBL820592)	Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.
50009389	5	ChEMBL_212923 (CHEMBL819949)	Inhibition of TNF(tumor necrosis factor) in human blood
50009389	1	ChEMBL_105968 (CHEMBL715380)	Inhibitory activity against MMP-1 (Matrix metalloprotease-1)
50009389	2	ChEMBL_105067 (CHEMBL711313)	Inhibition of MMP-8 (matrix metalloprotease-8)
50009389	3	ChEMBL_212922 (CHEMBL819948)	Inhibition of TNF(tumor necrosis factor) in human blood
50021947	9	ChEMBL_461864 (CHEMBL927857)	Inhibition of MMP2
50009395	1	ChEMBL_1302 (CHEMBL616679)	Ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor
50009396	14	ChEMBL_195816 (CHEMBL799665)	In vitro binding affinity for Retinoic acid receptor RAR beta
50009396	3	ChEMBL_195657 (CHEMBL800041)	Transcriptional activation of Retinoic acid receptor RAR beta
50009396	2	ChEMBL_196327 (CHEMBL806270)	In vitro binding affinity for Retinoic acid receptor RAR gamma
50009396	4	ChEMBL_195327 (CHEMBL800328)	In vitro binding affinity for Retinoic acid receptor RAR alpha
50009396	1	ChEMBL_196178 (CHEMBL804951)	Transcriptional activation of Retinoic acid receptor RAR gamma
50009396	10	ChEMBL_197233 (CHEMBL801379)	Transcriptional activation of Retinoid X receptor RXR gamma
50009396	11	ChEMBL_196667 (CHEMBL803399)	Transcriptional activation of Retinoic acid receptor RAR gamma
50009396	12	ChEMBL_197239 (CHEMBL803361)	In vitro binding affinity for Retinoid X receptor RXR gamma
50009396	5	ChEMBL_196911 (CHEMBL807373)	In vitro binding affinity for Retinoid X receptor RXR alpha
50009396	9	ChEMBL_196905 (CHEMBL807367)	Transcriptional activation of Retinoid X receptor RXR alpha
50009396	7	ChEMBL_196662 (CHEMBL799697)	Transcriptional activation of Retinoic acid receptor RAR beta
50009396	13	ChEMBL_196657 (CHEMBL800770)	Transcriptional activation of Retinoic acid receptor RAR alpha
50046791	3	ChEBML_1526830	Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins
50009396	6	ChEMBL_195304 (CHEMBL799860)	Transcriptional activation of Retinoic acid receptor RAR alpha
50021947	10	ChEMBL_461865 (CHEMBL927858)	Inhibition of MMP3
50021957	11	ChEMBL_460215 (CHEMBL927265)	Displacement of [3H]PDBu from PKCeta C1B domain
50021957	12	ChEMBL_460212 (CHEMBL927262)	Displacement of [3H]PDBu from PKCgamma C1B domain
50021957	7	ChEMBL_460209 (CHEMBL927259)	Displacement of [3H]PDBu from PKCbeta C1A domain
50021957	13	ChEMBL_460208 (CHEMBL927258)	Displacement of [3H]PDBu from PKCalpha C1B domain
50021957	10	ChEMBL_460207 (CHEMBL926253)	Displacement of [3H]PDBu from PKCalpha C1A domain
50021957	14	ChEMBL_460210 (CHEMBL927260)	Displacement of [3H]PDBu from PKCbeta C1B domain
50021957	3	ChEMBL_460211 (CHEMBL927261)	Displacement of [3H]PDBu from PKCgamma C1A domain
50021984	3	ChEMBL_461890 (CHEMBL929026)	Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake
50021984	2	ChEMBL_461894 (CHEMBL929030)	Antagonist activity at human purinergic P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced K(+) efflux
50022018	6	ChEMBL_461907 (CHEMBL944754)	Inhibition of MMP9
50009398	11	ChEMBL_1700 (CHEMBL616907)	Displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells
50009398	5	ChEMBL_1676 (CHEMBL616666)	Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor
50009398	9	ChEMBL_1614 (CHEMBL616639)	Displacement of [3H]5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells
50009398	4	ChEMBL_1699 (CHEMBL616906)	Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]5-HT displacement.
50009398	6	ChEMBL_1615 (CHEMBL616640)	Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]5-HT displacement.
50009398	3	ChEMBL_1393 (CHEMBL616465)	Compound was tested for the displacement of [3H]5-HT binding to cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells.
50009398	10	ChEMBL_1677 (CHEMBL616667)	Compound was tested for measuring agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor
50009398	2	ChEMBL_3736 (CHEMBL620737)	Compound was tested for the displacement of [3H]5-HT binding to cloned rat 5-hydroxytryptamine 7 receptor stably expressed in CHO cells
50009398	13	ChEMBL_3655 (CHEMBL620791)	Compound was tested for the displacement of [3H]5-HT binding to cloned rat 5-hydroxytryptamine 6 receptor stably expressed in CHO cells
50009398	1	ChEMBL_688 (CHEMBL616271)	Compound was tested for the displacement of [3H]5-HT binding to cloned 5-hydroxytryptamine 1A receptor stably expressed in CHO cells
50009398	14	ChEMBL_2046 (CHEMBL616843)	Compound was tested for the displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 1E receptor stably expressed in CHO cells
50009398	7	ChEMBL_2079 (CHEMBL616722)	Compound was tested for the displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 1F receptor stably expressed in CHO cells
50009398	8	ChEMBL_2271 (CHEMBL617057)	Compound was tested for the displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells
50009398	12	ChEMBL_3578 (CHEMBL620711)	Compound was tested for the displacement of [3H]5-HT binding to cloned human 5-hydroxytryptamine 5A receptor stably expressed in CHO cells
50009400	3	ChEMBL_148843 (CHEMBL753960)	Binding affinity at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]DAGO displacement.
50009400	1	ChEMBL_146900 (CHEMBL751113)	Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.
50009400	2	ChEMBL_146899 (CHEMBL751673)	Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.
50022040	2	ChEMBL_460516 (CHEMBL926596)	Inhibition of human COX1-mediated conversion of arachidonic acid to prostaglandin-E2
50022059	3	ChEMBL_461948 (CHEMBL944795)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx in HEK293 cells
50009402	2	ChEMBL_177782 (CHEMBL785240)	Reuptake inhibition of [3H]-5-HT (5-HT) in rat.
50009402	4	ChEMBL_62337 (CHEMBL878290)	Binding affinity against dopamine transporter labelled with [125I]- RTI-55 in rat.
50009402	1	ChEMBL_201812 (CHEMBL805320)	Binding affinity against Serotonin transporter (SERT) labelled with [125I]RTI-55 in rat.
50009402	3	ChEMBL_177781 (CHEMBL785239)	Reuptake inhibition of [3H]-labeled dopamine (DA) in rat.
50009405	1	ChEMBL_145107 (CHEMBL751991)	Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]-U-69,593
50009405	12	ChEMBL_145602 (CHEMBL749745)	Binding affinity in CHO cells stably expressing cloned human Opioid receptor mu 1 by displacing diprenorphine
50009405	11	ChEMBL_146113 (CHEMBL754582)	Inhibition of [125I]Tyr14-nociceptin binding to human Opioid receptor like 1 (opioid receptor like 1) in CHO cells
50009405	2	ChEMBL_145107 (CHEMBL751991)	Binding affinity in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]U-69593
50009405	13	ChEMBL_148070 (CHEMBL753179)	Inhibition of [3H]diprenorphine binding to human Opioid receptor mu 1 in CHO cells
50022073	2	ChEMBL_461970 (CHEMBL945759)	Displacement of VCAM1 from human VLA4 in Jurkat cells by ELISA
50022081	5	ChEMBL_462005 (CHEMBL944848)	Inhibition of BACE1 by FRET assay
50022081	1	ChEMBL_462009 (CHEMBL944852)	Inhibition of BACE1 assessed as reduction of total cellular amyloid beta formation by ELISA
50022114	6	ChEMBL_462057 (CHEMBL945831)	Inhibition of BACE1
50022147	3	ChEMBL_462093 (CHEMBL944925)	Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain
50022150	4	ChEMBL_462108 (CHEMBL945886)	Binding affinity to recombinant memapsin 2
50022150	1	ChEMBL_462111 (CHEMBL945883)	Inhibition of memapsin 2 expressed in CHO cells
50022167	4	ChEMBL_460851 (CHEMBL943866)	Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux
50022167	3	ChEMBL_460879 (CHEMBL944818)	Blockade of pH 5.5-induced activation of TRPV1
50022167	2	ChEMBL_460878 (CHEMBL944817)	Blockade of N-arachidonoyl-dopamine-induced activation of TRPV1
50022219	7	ChEMBL_462216 (CHEMBL945985)	Antagonist activity at delta opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based calcium assay
50022219	8	ChEMBL_462212 (CHEMBL945981)	Displacement of [3H]naltrindole from delta opioid receptor in rat brain membranes
50022383	2	ChEMBL_462611 (CHEMBL929600)	Inhibition of human recombinant BACE1 by FRET assay
50022465	3	ChEMBL_462700 (CHEMBL929673)	Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells by FRET assay
50022465	1	ChEMBL_462709 (CHEMBL929682)	Inhibition of human Nav1.7 sodium channel expressed in HEK293 cells at a membrane potential of -70 mV by whole cell voltage clamp technique
50022468	10	ChEMBL_462726 (CHEMBL928647)	Inhibition of InsR
50023236	2	ChEMBL_526905 (CHEMBL967379)	Inhibition of COX1
50023488	3	ChEMBL_506875 (CHEMBL947576)	Inhibition of COX1
50023910	4	ChEMBL_484512 (CHEMBL1014038)	Inhibition of COX2 in LPS-stimulated bone marrow derived mast cells
50023910	5	ChEMBL_484508 (CHEMBL1014034)	Inhibition of COX1 by scintillation proximity assay
50023910	3	ChEMBL_484511 (CHEMBL1014037)	Inhibition of COX2
50023987	2	ChEMBL_482230 (CHEMBL960265)	Displacement of [3H]ryanodine from RyR1 calcium channel in sarcoplasmic reticulum assessed as calcium mobilization
50024267	2	ChEMBL_547949 (CHEMBL1026729)	Inhibition of Vanilloid receptor 1
50024640	3	ChEMBL_549643 (CHEMBL1020262)	Displacement of [3H2]F3-methylAA from human LXRbeta expressed in Escherichia coli BL21 cells by scintillation proximity assay
50024740	3	ChEMBL_551129 (CHEMBL1007710)	Agonist activity at human recombinant LXRbeta expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRbeta ligand binding domain by HTRF assay
50024778	3	ChEMBL_552154 (CHEMBL1008643)	Displacement of [3H2]F3-methyl AA from LXRbeta by scintillation proximity assay
50024787	3	ChEMBL_551732 (CHEMBL998269)	Inhibition of human COX1 expressed in sf9 cells
50024829	7	ChEMBL_526697 (CHEMBL970971)	Inhibition of EGFR
50024829	8	ChEMBL_526707 (CHEMBL971891)	Inhibition of MLCK
50024974	4	ChEMBL_525305 (CHEMBL968094)	Displacement of [125]OXY from delta opioid receptor
50025107	34	ChEMBL_508995 (CHEMBL1006336)	Inhibition of Tel-fused RON kinase-mediated mouse BaF3 cell proliferation
50025107	15	ChEMBL_509003 (CHEMBL1006344)	Inhibition of Tel-fused Bmx kinase-mediated mouse BaF3 cell proliferation
50025107	31	ChEMBL_508984 (CHEMBL1005537)	Decrease in ALK phosphorylation in mouse Ba/F3 NPM-ALK cells after 4 hrs
50025107	33	ChEMBL_508982 (CHEMBL1005535)	Decrease in ALK phosphorylation in human Karpas299 cells after 4 hrs
50025107	8	ChEMBL_509006 (CHEMBL1006347)	Inhibition of Tel-fused Syk kinase-mediated mouse BaF3 cell proliferation
50025107	35	ChEMBL_509007 (CHEMBL1006348)	Inhibition of Tie2 kinase
50025107	36	ChEMBL_509008 (CHEMBL1006349)	Inhibition of FLT3 kinase
50025107	37	ChEMBL_509009 (CHEMBL1006350)	Inhibition of TRKB kinase
50025107	32	ChEMBL_508983 (CHEMBL1005536)	Decrease in ALK phosphorylation in human SUDHL1 cells after 4 hrs
50025107	38	ChEMBL_509012 (CHEMBL1006353)	Inhibition of recombinant InsR
50025107	39	ChEMBL_508998 (CHEMBL1006339)	Inhibition of Tel-fused ALK kinase-mediated mouse BaF3 cell proliferation
50009420	1	ChEMBL_70571 (CHEMBL682098)	Inhibitory activity against human purified recombinant farnesyltransferase (hFT)
50009421	1	ChEMBL_70187 (CHEMBL857389)	In vitro inhibition of biotinylated fibrinogen binding to immobilized fibrinogen receptor.
50025158	3	ChEMBL_505119 (CHEMBL946650)	Binding affinity to CCR5 in C57BL/6J mouse brain membrane
50025158	1	ChEMBL_505118 (CHEMBL946649)	Binding affinity to CCR5 in NY1DD transgenic mouse brain membrane
50025160	3	ChEMBL_505156 (CHEMBL950790)	Inhibition of PKCalpha
50025233	2	ChEMBL_530558 (CHEMBL968469)	Inhibition of human Chk1
50009426	1	ChEBML_214950	Displacement of [125I]- ChTX from human T cell voltage-gated potassium channel subunit Kv1.3
50009427	2	ChEBML_201818	Displacement of [3H]paroxetine from serotonin transporter (SERT)
50009427	1	ChEBML_62342	Displacement of [3H]WIN-35428 from dopamine transporter (DAT)
50009428	1	ChEBML_29227	Inhibitory activity against Acetylcholinesterase (AChE) in rat brain hippocampal crude homogenate
50009429	1	ChEBML_208899	Inhibition of thrombin
50025285	3	ChEMBL_530843 (CHEMBL970164)	Inhibition of human platelet COX1
50025285	4	ChEMBL_530842 (CHEMBL970163)	Inhibition of human recombinant COX2
50025288	6	ChEMBL_508166 (CHEMBL1008224)	Inhibition of human recombinant PC5/6 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage
50025309	4	ChEMBL_506435 (CHEMBL941423)	Inhibition of p110alpha/p85-alpha PI3K
50025309	5	ChEMBL_506485 (CHEMBL941474)	Inhibition of DNA-PK
50025402	13	ChEMBL_507896 (CHEMBL952593)	Inhibition of human recombinant full length MMP13-mediated type 2 collagen cleavage
50025402	15	ChEMBL_507880 (CHEMBL952577)	Inhibition of human ADAMTS4 assessed as cleavage of aggrecan substrate
50009431	3	ChEMBL_70275 (CHEMBL681414)	Inhibition of bovine Farnesyltransferase in vitro.
50009431	2	ChEBML_68490	Inhibition of Farnesyltransferase
50025402	7	ChEMBL_507885 (CHEMBL952582)	Inhibition of human recombinant full length MMP13 by steady state kinetic assay
50009432	3	ChEBML_208413	In vitro inhibition of Topoisomerase I-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.
50025402	16	ChEMBL_507877 (CHEMBL952574)	Inhibition of MMP14 catalytic domain
50025402	17	ChEMBL_507876 (CHEMBL952573)	Inhibition of MMP9
50009432	2	ChEBML_208618	In vitro inhibition of Topoisomerase II-mediated DNA cleavage using supercoiled pBR322 plasmid DNA.
50025402	18	ChEMBL_507881 (CHEMBL952578)	Inhibition of human ADAMTS5 assessed as cleavage of aggrecan substrate
50025420	2	ChEMBL_508117 (CHEMBL1004854)	Binding activity to human MRP1 expressed in BHK21 cells
50025504	7	ChEMBL_510908 (CHEMBL1007242)	Inhibition of human recombinant MMP9
50025539	12	ChEMBL_529515 (CHEMBL966659)	Inhibition of human PKCalpha by scintiplate assay
50025546	6	ChEMBL_511069 (CHEMBL1000361)	Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination
50025546	7	ChEMBL_511072 (CHEMBL1000364)	Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells
50025546	2	ChEMBL_511073 (CHEMBL1000365)	Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot
50009435	3	ChEMBL_154522 (CHEMBL762149)	Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma)
50009439	3	ChEBML_217766	Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation of polyGly-Tyr.
50009439	4	ChEBML_221647	Inhibition of p56 lck tyrosine kinase
50009439	5	ChEBML_52345	Inhibition of csk tyrosine kinase
50009439	1	ChEBML_67068	Inhibition of Epidermal growth factor receptor (EGFr)
50009440	1	ChEBML_138476	Binding of [3H]QNB to HM1 receptor was evaluated by saturation binding assay
50009440	7	ChEMBL_138482 (CHEMBL749228)	Binding of [3H]QNB to HM2 receptor was evaluated by saturation binding assay
50009441	1	ChEBML_1694	Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro
50009441	2	ChEBML_1608	Ability to displace [3H]5-HT from recombinant human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells determined in vitro
50009442	1	ChEMBL_92545 (CHEMBL699591)	Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U-69593 as radioligand
50025547	2	ChEMBL_496354 (CHEMBL997646)	Agonist activity at human recombinant FSH receptor
50025610	5	ChEMBL_497293 (CHEMBL995855)	Binding affinity to delta opioid receptor
50025712	3	ChEMBL_540069 (CHEMBL1036637)	Inhibition of COX2
50009442	10	ChEMBL_53447 (CHEMBL666297)	Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]Cl-DPDPE as radioligand.
50025712	4	ChEMBL_540070 (CHEMBL1036638)	Inhibition of COX1
50025781	7	ChEMBL_518581 (CHEMBL959585)	Blockade of conjugation of cathepsin C in human B721 cells to I125-labeled (S)-2-amino-N-((S)-1-(4-hydroxy-3-iodophenylsulfonyl)-5-phenylpent-1-en-3-yl)pentanamide pretreated for 30 mins before addition of I125-labeled (S)-2-amino-N-((S)-1-(4-hydroxy-3-iodophenylsulfonyl)-5-phenylpent-1-en-3-yl)pentanamide by SDS-PAGE
50025781	8	ChEMBL_518577 (CHEMBL959581)	Inhibition of human recombinant cathepsin H by fluorescence assay
50025781	2	ChEMBL_518582 (CHEMBL959586)	Inhibition of cathepsin C in human B721 cells by FACS assay
50025781	9	ChEMBL_518576 (CHEMBL959580)	Inhibition of human recombinant cathepsin S by fluorescence assay
50025814	5	ChEMBL_531170 (CHEMBL974056)	Inhibition of BACE1 by FRET assay
50025831	2	ChEMBL_530043 (CHEMBL978693)	Inhibition of human Chk1 expressed in sf9-baculovirus system
50025876	5	ChEMBL_518903 (CHEMBL940647)	Inhibition of human recombinant MMP13 by HxBPyne probe-based competitive activity based protein profiling assay
50025876	6	ChEMBL_518918 (CHEMBL940662)	Inhibition of human recombinant MMP9 by fluorogenic substrate assay
50025876	3	ChEMBL_518902 (CHEMBL940646)	Inhibition of human recombinant MMP13 by fluorogenic substrate assay
50025878	1	ChEMBL_544139 (CHEMBL1013420)	Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADH
50025878	3	ChEMBL_544140 (CHEMBL1013421)	Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol
50009453	3	ChEBML_53451	In vitro delta opioid activity was determined by its ability to inhibit the electrically induced contractions of smooth muscle preparations in mouse vas deferens (MVD)
50025878	5	ChEMBL_544141 (CHEMBL1013422)	Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADPH
50025878	2	ChEMBL_544137 (CHEMBL1014266)	Inhibition of 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+
50025895	3	ChEMBL_532535 (CHEMBL976971)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
50009454	2	ChEBML_155066	In vitro inhibition of human thrombolytic protease Plasmin.
50009454	3	ChEBML_69656	In vitro inhibition of human Factor Xa.
50009454	1	ChEBML_212703	In vitro inhibition of human trypsin.
50009454	4	ChEBML_207971	In vitro inhibition of human Thrombin (FIIa).
50009457	1	ChEMBL_71413 (CHEMBL685131)	Inhibition of [3H]dexamethasone binding to human Glucocorticoid Receptor
50009457	2	ChEMBL_71383 (CHEMBL681735)	Inhibition of [3H]dexamethasone binding to human Glucocorticoid Receptor
50025895	2	ChEMBL_532532 (CHEMBL976968)	Antagonist activity at human TRPV1 assessed as inhibition of low pH-induced calcium influx
50009458	2	ChEMBL_218220 (CHEMBL821405)	Binding affinity for alpha IIb beta-3 integrin
50009458	1	ChEMBL_214641 (CHEMBL819721)	Binding affinity for Vitronectin receptor (alpha V beta 3)
50009459	2	ChEMBL_214637 (CHEMBL819717)	Inhibition of vitronectin receptor (alpha V beta 3), expressed on human 293 cells, binding to immobilized fibrinogen
50009459	1	ChEMBL_90187 (CHEMBL699497)	Inhibition of platelet aggregation in human gel-purified platelets containing fibrinogen (GPP+Fg).
50025895	5	ChEMBL_532531 (CHEMBL976100)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced calcium influx
50009460	2	ChEMBL_215998 (CHEMBL820502)	Inhibitory activity against beta-3-transfected 293 cells using alphaV-beta3 antagonism assay
50009460	5	ChEMBL_215996 (CHEMBL820500)	Inhibitory activity against beta-3-transfected 293 cells using alpha-V beta-3 antagonism assay
50009460	1	ChEMBL_70368 (CHEMBL677193)	Inhibition of aggregation of human gel-purified platelets (GPIIbIIIa GPP)
50009460	4	ChEMBL_214635 (CHEMBL819715)	Inhibition of Vitronectin receptor (alpha V beta 3) binding
50025895	6	ChEMBL_532536 (CHEMBL976972)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced calcium influx
50009460	3	ChEMBL_215997 (CHEMBL820501)	Inhibition of adhesion of integrin beta-3-transfected HEK293 cells to fibrinogen
50009461	4	ChEMBL_46823 (CHEMBL657227)	Tested for binding affinity against Cannabinoid receptor 1 (CB1).
50009461	3	ChEMBL_46821 (CHEMBL657225)	Binding affinity against Cannabinoid receptor 1.
50009461	1	ChEMBL_46825 (CHEMBL658059)	Tested for binding affinity against Cannabinoid receptor 1 (CB1).
50009461	2	ChEMBL_46824 (CHEMBL657890)	Tested for binding affinity against Cannabinoid receptor 1 (CB1)
50009461	5	ChEMBL_46822 (CHEMBL657226)	Tested for binding affinity against Cannabinoid receptor 1 (CB1)
50025969	3	ChEMBL_533246 (CHEMBL972348)	Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells
50025969	1	ChEMBL_533247 (CHEMBL972349)	Agonist activity at human GLP1R expressed in CHO cells assessed as increase in cAMP level by cAMP-response element/luciferase activation assay
50025979	13	ChEMBL_555530 (CHEMBL963790)	Displacement of [125I]NDP-MSH from human MC3R expressed in HEK293 cells
50025979	4	ChEMBL_533294 (CHEMBL976122)	Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA
50025979	14	ChEMBL_555591 (CHEMBL965638)	Binding affinity at rat MC3R
50025979	7	ChEMBL_533293 (CHEMBL973312)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50025979	15	ChEMBL_555588 (CHEMBL965635)	Binding affinity at mouse MC4R
50025979	10	ChEMBL_555613 (CHEMBL965660)	Antagonist activity at MC4R
50026032	4	ChEMBL_552276 (CHEMBL995606)	Inhibition of human recombinant MMP9
50026044	5	ChEMBL_556068 (CHEMBL953421)	Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane
50026044	8	ChEMBL_556065 (CHEMBL953418)	Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor
50026044	4	ChEMBL_556070 (CHEMBL953423)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane
50026044	9	ChEMBL_556066 (CHEMBL953419)	Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay
50026044	10	ChEMBL_556071 (CHEMBL953424)	Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50026044	11	ChEMBL_556072 (CHEMBL953425)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50026044	12	ChEMBL_556073 (CHEMBL953426)	Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50026069	19	ChEMBL_553547 (CHEMBL958730)	Inhibition of COX1
50026069	20	ChEMBL_553553 (CHEMBL958736)	Inhibition of BACE1
50026069	21	ChEMBL_553542 (CHEMBL958725)	Inhibition of PtpB
50026069	22	ChEMBL_553539 (CHEMBL958722)	Inhibition of thrombin
50026069	23	ChEMBL_553544 (CHEMBL958727)	Activity against estrogen receptor alpha
50026069	24	ChEMBL_553538 (CHEMBL958721)	Binding affinity to BH3 binding groove of BclXL
50026108	1	ChEMBL_556474 (CHEMBL955691)	Inhibition of BACE1 (unknown origin)
50026108	6	ChEMBL_556475 (CHEMBL955692)	Inhibition of BACE1 in HEK293 cells transfected with human APP cDNA containing Swedish ad London FAD mutant assessed as inhibition of amyloid beta 1-40 production by ELISA
50026118	2	ChEMBL_565719 (CHEMBL962458)	Inhibition of human 17beta-HSD5 expressed in HEK293 cells assessed as enzyme-mediated transformation of [14C]-4-androstene-3,17-dione in to [14C]-testosterone after 18 hrs
50026167	3	ChEMBL_518948 (CHEMBL941536)	Inhibition of COX1
50026213	10	ChEMBL_552740 (CHEMBL965246)	Binding affinity to human adrenergic beta2 receptor
50026238	4	ChEMBL_552857 (CHEMBL958062)	Inhibition of 17-beta-HSD1-mediated 17-beta-estradiol formation in human T47D cells
50026238	2	ChEMBL_552851 (CHEMBL958056)	Inhibition of human placental 17beta-HSD1 using estrone substrate
50026263	8	ChEMBL_520720 (CHEMBL949888)	Inhibition of VEGFR3
50026263	9	ChEMBL_520703 (CHEMBL949871)	Inhibition of Aurora B
50026277	2	ChEMBL_554555 (CHEMBL962931)	Inhibition of pig kidney aminopeptidase N
50026291	22	ChEMBL_554992 (CHEMBL962088)	Inhibition of human recombinant Aurora B
50026291	23	ChEMBL_555003 (CHEMBL957978)	Inhibition of human recombinant VEGFR3
50026291	24	ChEMBL_555005 (CHEMBL957980)	Inhibition of human recombinant INS-R
50026303	2	ChEMBL_491434 (CHEMBL948529)	Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells
50026303	8	ChEMBL_491437 (CHEMBL948532)	Displacement of [35S]MK499 from human ERG K+ channel expressed in HEK293 cells
50026303	9	ChEMBL_491435 (CHEMBL948530)	Antagonist activity at human ORL1 expressed in CHO cells assessed as effect on nociceptin-induced GTPgammaS binding
50026303	10	ChEMBL_491468 (CHEMBL949524)	Displacement of [3H][D-Ala2,D-Leu5]enkephalin from human cloned delta opioid receptor expressed in CHO cells
50026320	6	ChEMBL_492185 (CHEMBL951561)	Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry
50026344	4	ChEMBL_491561 (CHEMBL944207)	Inhibition of Chk1
50026363	5	ChEMBL_492277 (CHEMBL947245)	Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay
50026444	3	ChEMBL_487544 (CHEMBL1013138)	Inhibition of pig kidney microsomes aminopeptidase N
50026465	14	ChEMBL_487764 (CHEMBL1009496)	Binding affinity to beta 2 adrenergic receptor
50026465	6	ChEMBL_487750 (CHEMBL1009482)	Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobilization by FLIPR assay
50026465	15	ChEMBL_487749 (CHEMBL1009481)	Displacement of [I125]hU2 from human recombinant urotensin 2 receptor expressed in HEK293 cells
50026492	2	ChEMBL_488051 (CHEMBL983861)	Inhibition of 5-carboxyfluorescein-labeled Flu-Bak-BH3 peptide binding to Bcl-w by fluorescence polarization assay
50026537	3	ChEMBL_488511 (CHEMBL991044)	Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay
50026537	2	ChEMBL_488512 (CHEMBL991045)	Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells
50026539	3	ChEMBL_488541 (CHEMBL982856)	Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay
50026552	5	ChEMBL_488813 (CHEMBL985693)	Inhibition of COX1 in LPS-induced human whole blood assessed as PGE2 production
50026555	2	ChEMBL_489014 (CHEMBL986355)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells
50026555	15	ChEMBL_489043 (CHEMBL986384)	Inhibition of CYP2A6
50026564	2	ChEMBL_520938 (CHEMBL938939)	Inhibition of GST-tagged human full-length CHK1 expressed in Sf9 cells
50026587	28	ChEMBL_489669 (CHEMBL982973)	Inhibition of PKCeta
50026587	29	ChEMBL_489682 (CHEMBL982986)	Inhibition of IKKalpha
50026587	30	ChEMBL_489546 (CHEMBL986469)	Inhibition of PKCalpha
50026587	31	ChEMBL_489674 (CHEMBL982978)	Inhibition of CHK1
50026587	32	ChEMBL_489672 (CHEMBL982976)	Inhibition of Aurora B
50026609	3	ChEMBL_564958 (CHEMBL957493)	Inhibition of human dUTPase
50026641	3	ChEMBL_514253 (CHEMBL975500)	Inhibition of human placental 17beta-HSD1 assessed as conversion of [3H]estrone to [3H]17beta-estradiol
50026701	2	ChEMBL_513687 (CHEMBL974537)	Inhibition of human liver fructose-1,6-bisphosphatase
50026701	3	ChEMBL_513688 (CHEMBL974538)	Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate
50026707	3	ChEMBL_513729 (CHEMBL978160)	Inhibition of COX1
50026714	6	ChEMBL_514762 (CHEMBL977261)	Inhibition of human 11beta-HSD1
50026714	3	ChEMBL_514765 (CHEMBL977264)	Inhibition of 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to cortisol by SPA assay
50026714	7	ChEMBL_514763 (CHEMBL977262)	Inhibition of human 11beta-HSD2
50026714	8	ChEMBL_514768 (CHEMBL977267)	Inhibition of human recombinant 11beta-HSD1 expressed in Pichia pastoris
50026732	3	ChEMBL_514123 (CHEMBL968869)	Binding affinity to beta2 adrenergic receptor
50026746	3	ChEMBL_514802 (CHEMBL976411)	Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation
50026752	4	ChEMBL_509751 (CHEMBL997020)	Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux by FLIPR
50026752	5	ChEMBL_509750 (CHEMBL997019)	Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cell membrane
50026756	1	ChEMBL_509825 (CHEMBL1000506)	Inhibition of recombinant CYP3A4 (unknown origin) expressed in insect microsomes after 20 mins in presence of BFC substrate
50026756	8	ChEMBL_509875 (CHEMBL998720)	Inhibition of human recombinant CYP2D6 expressed in insect microsomes by AMMC assay
50026756	2	ChEMBL_509824 (CHEMBL1000505)	Inhibition of recombinant CYP3A4 expressed in insect microsomes after 45 mins in presence of BZR substrate
50026756	13	ChEMBL_509823 (CHEMBL1000504)	Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells
50026777	3	ChEMBL_510079 (CHEMBL997884)	Inhibition of COX1 in human whole blood
50026781	10	ChEMBL_521107 (CHEMBL960368)	Inhibition of human recombinant HDAC5
50026800	4	ChEMBL_510226 (CHEMBL1005604)	Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane
50009466	1	ChEMBL_91745 (CHEMBL700046)	Inhibition of Kynurenine-3-hydroxylase enzyme isolated from the rat liver
50009468	2	ChEMBL_50663 (CHEMBL660786)	Inhibition of Cyclin-dependent kinase 2
50009469	1	ChEBML_208342	Inhibitory constant against human alpha thrombin
50009469	2	ChEBML_212507	Inhibitory constant against human trypsin
50009469	3	ChEBML_197806	Compound was evaluated for the inhibitory constant against human Serine protease chymotrypsin
50026802	7	ChEMBL_510240 (CHEMBL1005618)	Inhibition of human factor 12a
50009471	4	ChEBML_48307	Inhibitory activity against coagulation factor II (thrombin).
50026848	5	ChEMBL_513116 (CHEMBL973605)	Binding affinity to MC3 receptor
50026848	6	ChEMBL_513118 (CHEMBL973607)	Antagonist activity at human MC4 receptor expressed in cells assessed as inhibition of alpha-MSH-stimulated cAMP production
50009471	3	ChEBML_48984	Inhibitory activity against coagulation factor X.
50026848	2	ChEMBL_513112 (CHEMBL973601)	Binding affinity to human MC4 receptor
50009471	5	ChEMBL_48476 (CHEMBL663038)	Inhibitory activity against bovine coagulation factor X
50026850	10	ChEMBL_513147 (CHEMBL973636)	Inhibition of aurora 1 kinase
50026867	15	ChEMBL_511627 (CHEMBL976274)	Inhibition of human Src kinase by TR-FRET assay
50026867	16	ChEMBL_511644 (CHEMBL976291)	Inhibition of InsR
50026867	14	ChEMBL_511643 (CHEMBL976290)	Inhibition of Flt3
50026867	17	ChEMBL_511628 (CHEMBL976275)	Inhibition of Abl kinase
50009471	1	ChEBML_48476	Inhibitory activity against bovine coagulation factor X
50026867	18	ChEMBL_511635 (CHEMBL976282)	Inhibition of Flt4
50009471	6	ChEMBL_48307 (CHEMBL658196)	Inhibitory activity against coagulation factor II (thrombin).
50009472	1	ChEBML_200963	Compound was tested for its binding affinity against sigma 1 opioid receptor using 3[H](+)-pentazocine as radioligand
50026885	5	ChEMBL_512157 (CHEMBL980951)	Antagonist activity at mouse CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assay
50026885	6	ChEMBL_512156 (CHEMBL980950)	Antagonist activity at human CCR4 receptor assessed as inhibition of CCL22-induced chemotaxis by bioluminescent assay
50009474	4	ChEMBL_199527 (CHEMBL803138)	The compound was evaluated for its binding affinity against mutant Y30F scytalone dehydratase
50009474	7	ChEBML_199524	The compound was evaluated for its binding affinity against mutant H110N scytalone dehydratase
50009476	3	ChEMBL_31409 (CHEMBL644552)	Inhibition of [35S]GTP-gamma-S, binding stimulated by 20 uM 5''-N-ethyluronamidoadenosine (NECA) in membranes of HEK293 cells expressing human Adenosine A3 receptor
50026885	4	ChEMBL_512160 (CHEMBL968019)	Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assay
50026894	13	ChEMBL_512441 (CHEMBL980782)	Displacement of [3H]2AD-5075 from GST-tagged human PPARgamma receptor expressed in Escherichia coli BL21
50026894	33	ChEMBL_512442 (CHEMBL980783)	Agonist activity at human PPARgamma receptor expressed in african green monkey COS cells after 48 hrs by GAL4 transactivation assay
50026894	34	ChEMBL_512424 (CHEMBL980765)	Displacement of radioligand from adrenergic alpha2B receptor
50026894	35	ChEMBL_512434 (CHEMBL980775)	Displacement of radioligand from delta opioid receptor
50026921	6	ChEMBL_513213 (CHEMBL977343)	Binding affinity to human cloned GLP1R expressed in BHK cells
50026982	5	ChEMBL_535182 (CHEMBL990778)	Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR assay
50026982	2	ChEMBL_535191 (CHEMBL990787)	Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of N-arachidonoyl-dopamine-induced calcium influx by FLIPR assay
50026982	4	ChEMBL_535192 (CHEMBL990788)	Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of pH 5.5-induced calcium influx by FLIPR assay
50027017	9	ChEMBL_496466 (CHEMBL1007113)	Inhibition of [3H]glycine uptake at human glycine transporter 2 expressed in CHO cells by scintillation counter
50027017	10	ChEMBL_496465 (CHEMBL1007112)	Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counter
50009481	4	ChEBML_138807	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in rat brain cortex at 10e-5 M of compound concentration
50009481	2	ChEBML_140050	Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat heart atria at 10e-5 M of compound concentration
50009481	3	ChEBML_868	Inhibition of [3H]8-hydroxy-2-dipropylamino-1,2,3,4-tetrahydronaphthalene binding to 5-hydroxytryptamine 1A receptor in hippocampus region of rat brain; Residual radioligand binding higher than 50%
50009481	1	ChEBML_1779	Inhibition of [3H]-5-HT binding to 5-hydroxytryptamine 1B receptor in rat striatum; Residual radioligand binding higher than 50%
50009483	1	ChEBML_152996	Binding affinity for human recombinant protein kinase C delta
50009485	5	ChEBML_140685	Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]MDL-105519 binding assay
50009486	1	ChEBML_208331	Anti- Thrombin activity using standard chromogenic assay
50009487	4	ChEBML_197805	Compound was evaluated for inhibition of Serine protease chymotrypsin
50009487	1	ChEBML_212503	Compound was evaluated for inhibition of Trypsin
50009487	3	ChEBML_48798	Compound was evaluated for inhibition of Coagulation factor X
50009487	2	ChEBML_208325	Compound was evaluated for inhibition of Thrombin
50009492	4	ChEMBL_146766 (CHEMBL755210)	In vitro inhibition of [3H]deltorphin binding to Opioid receptor delta 1 using rat brain membranes.
50009492	1	ChEMBL_148685 (CHEMBL751059)	In vitro inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes
50009492	5	ChEMBL_146974 (CHEMBL757513)	Agonist activity using strips of guinea pig ileum longitudinal muscle myenteric plexus.
50009492	3	ChEMBL_146765 (CHEMBL755209)	In vitro inhibition of [3H]- [p-Cl-Phe4]DPDPE binding to Opioid receptor delta 1 using rat brain membranes.
50009492	2	ChEMBL_146487 (CHEMBL756735)	Agonist activity using electrically induced smooth muscle contraction of mouse vas deferens.
50009493	2	ChEMBL_104304 (CHEMBL709919)	Compound was tested for it's antagonist activity against Ser152 and Thr175 (Metabotropic glutamate receptor 5)
50009493	3	ChEMBL_104300 (CHEMBL709915)	Compound was tested for it's antagonist activity against Ser152 and Thr175 (Metabotropic glutamate receptor 5)
50009493	5	ChEMBL_106720 (CHEMBL715726)	Compound was tested for it's antagonist activity against Ser152 and Thr175 (Metabotropic glutamate receptor 5)
50009495	2	ChEMBL_212319 (CHEMBL815005)	In vitro inhibition of bovine trypsin(Trp).
50009495	3	ChEMBL_49303 (CHEMBL661584)	In vitro inhibition of human coagulation factor Xa (Xa) in a purified enzyme system.
50009495	5	ChEMBL_208360 (CHEMBL813670)	In vitro inhibition of human thrombin(FIIa).
50009495	4	ChEMBL_4327 (CHEMBL618434)	In vitro inhibition of bovine trypsin(Trp).
50009495	1	ChEMBL_212199 (CHEMBL817762)	In vitro inhibition of bovine trypsin (Trp).
50009496	2	ChEMBL_104366 (CHEMBL716610)	In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2).
50009496	5	ChEMBL_105959 (CHEMBL715372)	In vitro inhibition of human recombinant collagenase-1 (Matrix metalloprotease-1, MMP-1)
50009496	4	ChEMBL_104710 (CHEMBL709523)	In vitro inhibition activity of human recombinant stromelysin (Matrix metalloprotease-3)
50009496	1	ChEMBL_106475 (CHEMBL873935)	In vitro inhibition of human recombinant collagenase-3 (Matrix metalloprotease-13)
50009496	3	ChEMBL_104914 (CHEMBL713450)	In vitro inhibition of matrilysin (Matrix metalloprotease-7, MMP-7)
50009497	1	ChEMBL_86536 (CHEMBL699955)	Inhibitory activity against human leukocyte elastase
50009497	2	ChEMBL_86689 (CHEMBL694280)	Inhibitory activity against human leukocyte elastase
50009497	3	ChEMBL_219644 (CHEMBL818575)	Inhibitory activity against human leukocyte elastase
50009498	1	ChEMBL_211974 (CHEMBL817704)	The mixed type inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots
50009498	2	ChEMBL_211975 (CHEMBL817705)	The mixed type inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots and Cornish-Bowdwn plots.
50027018	5	ChEMBL_511542 (CHEMBL980985)	Inhibition of COX1 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production by radioimmunoassay
50027047	2	ChEMBL_496736 (CHEMBL1005373)	Inhibition of ADAMTS5
50027077	7	ChEMBL_538607 (CHEMBL1027397)	Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells
50027077	8	ChEMBL_538606 (CHEMBL1027396)	Displacement of europium-labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells
50027077	1	ChEMBL_538609 (CHEMBL1027399)	Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay
50027077	6	ChEMBL_538610 (CHEMBL1027400)	Agonist activity at human MC3R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay
50027077	9	ChEMBL_538611 (CHEMBL1027401)	Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay
50027077	2	ChEMBL_538608 (CHEMBL1027398)	Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50009500	1	ChEMBL_211165 (CHEMBL817530)	Antitubulin activity against tubulin polymerization
50027121	7	ChEMBL_557956 (CHEMBL963054)	Inhibition of human recombinant MMP14 catalytic domain by spectrofluorimeter
50027121	8	ChEMBL_557954 (CHEMBL963052)	Inhibition of human recombinant pro-MMP9 by spectrofluorimeter
50027121	9	ChEMBL_557955 (CHEMBL963053)	Inhibition of human recombinant pro-MMP7 by spectrofluorimeter
50027121	10	ChEMBL_557957 (CHEMBL963055)	Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter
50027121	11	ChEMBL_557953 (CHEMBL963051)	Inhibition of human recombinant pro-MMP2 by spectrofluorimeter
50027127	12	ChEMBL_539627 (CHEMBL1025632)	Displacement of [125I]HEAT from adrenergic alpha2B receptor
50027176	26	ChEMBL_497410 (CHEMBL1002951)	Inhibition of MMP14
50027176	27	ChEMBL_492652 (CHEMBL953081)	Inhibition of ADAMTS4
50027176	28	ChEMBL_492653 (CHEMBL953082)	Inhibition of ADAMTS5
50027176	29	ChEMBL_497408 (CHEMBL1002949)	Inhibition of MMP9
50027178	5	ChEMBL_535872 (CHEMBL994992)	Inhibition of TEL fused Lck-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50027178	7	ChEMBL_535871 (CHEMBL994991)	Inhibition of Lck by lance assay
50027178	8	ChEMBL_535876 (CHEMBL994996)	Inhibition of TEL fused InsR-mediated proliferation of TEL-InsR transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50027198	7	ChEMBL_535910 (CHEMBL984462)	Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization by FLIPR
50027198	3	ChEMBL_535907 (CHEMBL983548)	Binding affinity at human recombinant adrenergic alpha2B receptor expressed in CHO cells by radioligand binding assay
50027198	1	ChEMBL_535911 (CHEMBL984463)	Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization by FLIPR
50027198	8	ChEMBL_535909 (CHEMBL983550)	Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization by FLIPR
50027198	9	ChEMBL_535908 (CHEMBL983549)	Binding affinity at human recombinant adrenergic alpha2A receptor expressed in CHO cells by radioligand binding assay
50027198	4	ChEMBL_535906 (CHEMBL983547)	Binding affinity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells by radioligand binding assay
50027201	12	ChEMBL_535967 (CHEMBL987141)	Inhibition of CK1delta
50027201	13	ChEMBL_535978 (CHEMBL987152)	Inhibition of GST tagged ALK
50027201	14	ChEMBL_535969 (CHEMBL987143)	Inhibition of CK1alpha
50027201	15	ChEMBL_535968 (CHEMBL987142)	Inhibition of CK1gamma1
50027223	3	ChEMBL_543906 (CHEMBL1019502)	Displacement of [125I]C5a from C5a receptor in cAMP differentiated human U937 cells by filtration assay
50027223	1	ChEMBL_543909 (CHEMBL1019505)	Antagonist activity at C5a receptor assessed as inhibition of C5a-induced elastase release in human neutrophils during degranulation preincubated 5 mins prior to C5a challenge using p-nitroanilide as substrate
50027231	7	ChEMBL_536094 (CHEMBL995040)	Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO
50027231	2	ChEMBL_536106 (CHEMBL995052)	Inhibition of human glycine transporter 1
50027231	8	ChEMBL_536101 (CHEMBL995047)	Inhibition of CYP2C9
50027231	9	ChEMBL_536095 (CHEMBL995041)	Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO
50027231	10	ChEMBL_536099 (CHEMBL995045)	Inhibition of CYP3A4
50027231	11	ChEMBL_536100 (CHEMBL995046)	Inhibition of CYP2D6
50027246	2	ChEMBL_496808 (CHEMBL1008821)	Displacement of [125I]r-hC5a from C5a receptor in cAMP differentiated human U937 cells
50027247	6	ChEMBL_536371 (CHEMBL994289)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay
50027247	3	ChEMBL_536364 (CHEMBL994282)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp assay
50027247	7	ChEMBL_536366 (CHEMBL994284)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp assay
50027251	4	ChEMBL_496851 (CHEMBL998520)	Agonist-enhancing activity in epsilon-epitope tagged TRPV1 receptor expressed in mouse NIH3T3 cells assessed as capsaicin-induced 45Ca2+ influx by microplate liquid scintillation counter
50027251	5	ChEMBL_496855 (CHEMBL998524)	Binding affinity to human adenosine A3 receptor
50027252	2	ChEMBL_538782 (CHEMBL1027432)	Inhibition of cyclooxygenase 1
50027265	8	ChEMBL_536407 (CHEMBL992478)	Inhibition of CDK2
50027275	3	ChEMBL_539533 (CHEMBL1032342)	Inhibition of chitin synthase 1 in Saccharomyces cerevisiae after 90 mins in presence of trypsin
50027275	1	ChEMBL_539532 (CHEMBL1032341)	Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 mins
50027280	13	ChEMBL_538859 (CHEMBL1033102)	Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -80mV holding potential by whole cell patch clamp assay
50027280	6	ChEMBL_538860 (CHEMBL1033103)	Inhibition of human T-type Cav3.3 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay
50027280	12	ChEMBL_538852 (CHEMBL1033095)	Inhibition of sigma1 opioid receptor
50027280	14	ChEMBL_538862 (CHEMBL1033907)	Inhibition of human L-type Cav1.2 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay
50027280	1	ChEMBL_538845 (CHEMBL1033088)	Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR
50027294	7	ChEMBL_537168 (CHEMBL992544)	Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay
50027294	6	ChEMBL_537167 (CHEMBL992543)	Inhibition of recombinant ITK by DELFIA assay
50027294	8	ChEMBL_537169 (CHEMBL992545)	Inhibition of IRK
50027298	5	ChEMBL_537191 (CHEMBL992567)	Inhibition of IRK
50027298	6	ChEMBL_537187 (CHEMBL992563)	Inhibition of ITK by DELFIA assay
50027307	4	ChEMBL_539200 (CHEMBL1024704)	Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay
50027307	9	ChEMBL_539195 (CHEMBL1024699)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane by liquid scintillation counting
50027307	5	ChEMBL_539198 (CHEMBL1024702)	Agonist activity at human delta opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay
50027307	10	ChEMBL_539196 (CHEMBL1024700)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane by liquid scintillation counting
50027307	11	ChEMBL_539192 (CHEMBL1024696)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membrane by liquid scintillation counting
50027307	12	ChEMBL_539193 (CHEMBL1024697)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membrane by liquid scintillation counting
50027336	2	ChEMBL_537445 (CHEMBL990610)	Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter
50027393	3	ChEMBL_537543 (CHEMBL987112)	Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay
50027402	4	ChEMBL_537950 (CHEMBL1032406)	Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay
50027445	12	ChEMBL_518957 (CHEMBL941545)	Inhibition of human procollagen C-proteinase expressed in CHO cells by fluorescence assay
50027445	13	ChEMBL_518965 (CHEMBL941553)	Inhibition of human MMP9 by fluorescence assay
50027445	14	ChEMBL_518966 (CHEMBL941554)	Inhibition of human MMP14 catalytic domain by fluorescence assay
50027445	7	ChEMBL_518962 (CHEMBL941550)	Inhibition of human procollagen C-proteinase assessed as [3H]procollagen turnover by scintillation counting
50027465	1	ChEMBL_493072 (CHEMBL937687)	Displacement of [125I]exendin(9-39) from human GLP1R expressed in CHO cells
50027465	3	ChEMBL_493074 (CHEMBL937690)	Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of cAMP production
50027474	3	ChEMBL_558189 (CHEMBL962323)	Inhibition of human corpus cavernosum PDE5 by scintillation proximity assay
50027480	11	ChEMBL_493116 (CHEMBL940379)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50027480	12	ChEMBL_493110 (CHEMBL940373)	Inhibition of HDAC5
50027480	9	ChEMBL_493154 (CHEMBL944326)	Activity at human ERG expressed in CHO cells by patch-clamp assay
50027505	3	ChEMBL_536255 (CHEMBL987227)	Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cells in presence of human serum albumin
50027505	1	ChEMBL_536254 (CHEMBL987226)	Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cells
50027529	5	ChEMBL_519272 (CHEMBL946711)	Inhibition of ADAMTS5 by FRET assay
50027529	6	ChEMBL_519274 (CHEMBL946713)	Inhibition of ADAMTS4 by FRET assay
50009517	4	ChEMBL_3540 (CHEMBL619207)	In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hippocampal membranes by [3H]8-OH-DPAT displacement.
50009517	5	ChEMBL_61324 (CHEMBL670099)	In vitro binding affinity at human Dopamine receptor D4.4 by [3H]YM-09151-2 displacement.
50009517	2	ChEMBL_3538 (CHEMBL619205)	In vitro binding affinity towards 5-hydroxytryptamine receptor 1A receptor by using [3H]8-OH-DPAT in rat hippocampal membranes.
50009517	7	ChEMBL_61627 (CHEMBL673083)	In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]spiroperidol displacement.
50009517	3	ChEMBL_61626 (CHEMBL673082)	In vitro binding affinity towards Dopamine receptor D2L, using [3H]spiroperidol radioligand in Sf9 baculovirus expression.
50009517	8	ChEMBL_61628 (CHEMBL673084)	In vitro binding affinity towards human Dopamine receptor D2L, using [3H]spiroperidol radioligand in Sf9 baculovirus expression.
50009520	3	ChEMBL_45075 (CHEMBL657146)	Inhibitory activity against human carbonic anhydrase II (CA2)
50009520	2	ChEMBL_45422 (CHEMBL658749)	Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes
50009520	1	ChEMBL_47511 (CHEMBL657821)	Inhibitory activity against human carbonic anhydrase I (CA1)
50023255	1	ChEMBL_524724 (CHEMBL980279)	Inhibition of rat DNA polymerase beta in presence of BSA
50023255	2	ChEMBL_524725 (CHEMBL980280)	Inhibition of rat DNA polymerase beta in absence of BSA
50023256	1	ChEMBL_524728 (CHEMBL980283)	Inhibition of rat DNA polymerase beta in presence of 0.1 mg/mL BSA
50023256	2	ChEMBL_524729 (CHEMBL980284)	Inhibition of rat DNA polymerase beta in absence of BSA
50027534	3	ChEMBL_558444 (CHEMBL963850)	Inhibition of human recombinant PDE11
50027542	4	ChEMBL_493814 (CHEMBL937779)	Inhibition of COX1
50027562	4	ChEMBL_536824 (CHEMBL988088)	Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production
50027562	1	ChEMBL_536823 (CHEMBL988087)	Activity at GPR109a assessed as inhibition of forskolin-stimulated cAMP production
50027581	4	ChEMBL_519571 (CHEMBL942694)	Inhibition of ROCK2 (unknown origin)
50027605	1	ChEMBL_559656 (CHEMBL1009210)	Inhibition of ROCK2 (unknown origin)
50027607	3	ChEMBL_537038 (CHEMBL986187)	Inhibition of pig kidney microsome aminopeptidase N by UV-visible spectrophotometer
50027652	2	ChEMBL_560427 (CHEMBL1015430)	Inhibition of red kidney bean PAP at pH 6.2
50027658	2	ChEMBL_560466 (CHEMBL1020486)	Inhibition of BACE1 by FRET assay
50027663	2	ChEMBL_560485 (CHEMBL1020505)	Inhibition of BACE1 expressed in human 293T cells
50027663	4	ChEMBL_560488 (CHEMBL1020508)	Inhibition of BACE1
50027717	76	ChEMBL_537107 (CHEMBL988939)	Binding affinity to human EPHA1
50027717	77	ChEMBL_537069 (CHEMBL986218)	Binding affinity to human JAK2
50027717	78	ChEMBL_537103 (CHEMBL988935)	Binding affinity to human EPHA6
50027717	79	ChEMBL_538124 (CHEMBL1025767)	Inhibition of AURB
50027717	80	ChEMBL_537071 (CHEMBL986220)	Binding affinity to human AKT3
50027717	81	ChEMBL_537066 (CHEMBL986215)	Binding affinity to human AAK1
50027717	82	ChEMBL_537087 (CHEMBL988919)	Binding affinity to human INSR
50027717	83	ChEMBL_537112 (CHEMBL988944)	Binding affinity to human SKMLCK
50027717	84	ChEMBL_537119 (CHEMBL988951)	Binding affinity to human DRAK1
50027717	85	ChEMBL_537117 (CHEMBL988949)	Binding affinity to human CK1gamma1
50027733	6	ChEMBL_559247 (CHEMBL1014666)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux
50009523	1	ChEMBL_143677 (CHEMBL755165)	Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK293 cell membranes.
50009524	7	ChEMBL_62944 (CHEMBL674895)	Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]mazindol.
50009524	8	ChEMBL_62943 (CHEMBL674894)	Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]mazindol. 
50009524	15	ChEMBL_62809 (CHEMBL674122)	Antagonism of cocaine''s inhibition of [3H]DA uptake at the dose of 200 nM
50009524	10	ChEMBL_62630 (CHEMBL678252)	Inhibition of [3H]DA Uptake at dopamine transporter in rat cortex was measured by liquid scintillation spectrometry
50009524	13	ChEMBL_202128 (CHEMBL808117)	Inhibition of [3H]5-HT Uptake in rat mid brain.
50009524	5	ChEMBL_140887 (CHEMBL747310)	Inhibition of [3H]NE Uptake in rat parietal/occipital cortex
50009524	9	ChEMBL_201984 (CHEMBL809429)	Compound was tested for Inhibition of [3H]5-HT Uptake in rat mid brain.
50009524	2	ChEMBL_62629 (CHEMBL678251)	Inhibition of [3H]DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry
50009524	1	ChEMBL_62810 (CHEMBL674123)	Antagonism of cocaine''s inhibition of [3H]DA uptake at the dose of 500 nM
50009524	11	ChEMBL_62958 (CHEMBL872889)	Binding Affinity to cocaine site of Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]mazindol. 
50009524	14	ChEMBL_62631 (CHEMBL676677)	Inhibition of [3H]DA Uptake was measured by liquid scintillation spectrometry
50009524	6	ChEMBL_62942 (CHEMBL674893)	Binding Affinity to Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]mazindol. 
50009524	3	ChEMBL_140885 (CHEMBL747308)	Compound was tested for Inhibition of [3H]NE Uptake in rat parietal/occipital cortex
50009524	4	ChEMBL_62811 (CHEMBL871936)	Antagonism of cocaine''s inhibition of [3H]DA uptake at the dose of 50 nM
50009524	12	ChEMBL_142641 (CHEMBL747093)	Compound was tested for Inhibition of [3H]NE Uptake in rat parietal/occipital cortex
50009525	1	ChEMBL_208874 (CHEMBL808340)	Inhibitory activity towards Thrombin
50009525	2	ChEMBL_213050 (CHEMBL817896)	Inhibitory activity towards Trypsin
50009525	4	ChEMBL_213203 (CHEMBL818016)	Inhibitory activity towards Trypsin
50009525	3	ChEMBL_208916 (CHEMBL814971)	Inhibitory activity towards Thrombin
50009526	4	ChEMBL_104913 (CHEMBL713449)	In vitro inhibitory activity against matrix metalloprotease-7 (MMP-7)
50009526	5	ChEMBL_105955 (CHEMBL715368)	In vitro inhibitory activity against matrix metalloprotease-1 (MMP-1)
50009526	2	ChEMBL_106473 (CHEMBL719143)	In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)
50009526	1	ChEMBL_104704 (CHEMBL709518)	In vitro inhibitory activity against matrix metalloprotease-3 (MMP-3)
50027733	7	ChEMBL_559248 (CHEMBL1014667)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux
50027733	3	ChEMBL_559260 (CHEMBL1015448)	Displacement of [3H]RTX from rat TRPV1 expressed in HEK293 cells
50027733	1	ChEMBL_559258 (CHEMBL1015446)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of low pH-induced calcium influx
50009528	1	ChEMBL_52222 (CHEMBL663972)	In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]LTD4 binding assay in guinea pig lung membranes
50027751	6	ChEMBL_537826 (CHEMBL989827)	Inhibition of human cloned PDE5A1 expressed in Escherichia coli BL21 by liquid scintillation counting
50027751	7	ChEMBL_537822 (CHEMBL989823)	Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liquid scintillation counting
50009530	1	ChEMBL_195487 (CHEMBL798909)	Binding affinity for Retinoic Acid Receptor beta (RAR beta)
50009530	4	ChEMBL_196000 (CHEMBL800489)	Binding affinity for Retinoic Acid Receptor gamma (RAR gamma)
50009530	6	ChEMBL_197400 (CHEMBL799791)	Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)
50009530	3	ChEMBL_195486 (CHEMBL798908)	Binding affinity for Retinoic Acid Receptor beta (RAR beta)
50009530	7	ChEMBL_197401 (CHEMBL799792)	Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)
50009530	5	ChEMBL_196001 (CHEMBL800490)	Binding affinity for Retinoic acid receptor gamma
50009530	8	ChEMBL_197402 (CHEMBL799793)	Binding affinity for Retinoic Acid Receptor alpha (RAR alpha).
50009530	2	ChEMBL_195999 (CHEMBL800488)	Binding affinity for Retinoic acid receptor gamma
50009532	1	ChEMBL_853 (CHEMBL615909)	In vitro affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in rat hippocampus
50009533	8	ChEMBL_30603 (CHEMBL642010)	Inhibition of NECA-induced stimulation of adenylate cyclase at human adenosine A2B receptor
50009533	3	ChEMBL_31356 (CHEMBL644648)	Binding affinity against human adenosine A2A receptor using [3H]CGS-21680 (95% confidence)
50009533	2	ChEMBL_31706 (CHEMBL644950)	Binding affinity against human adenosine A3 receptor in CHO cell membranes using [3H]NECA
50009533	4	ChEMBL_29988 (CHEMBL881277)	Binding affinity against adenosine A2A receptor of rat brain striatal membranes using [3H]CGS-21680
50009533	7	ChEMBL_31365 (CHEMBL644657)	Binding affinity against human post-mortem brain adenosine A2A receptor using nuclei caudati and [3H]-CGS-21,680
50009533	1	ChEMBL_28999 (CHEMBL643474)	Binding affinity against adenosine A1 receptor of rat brain cortical membranes using [3H]CHA
50009533	6	ChEMBL_27570 (CHEMBL643492)	Binding affinity against human adenosine A1 receptor using [3H]-CCPA (95% confidence)
50009533	5	ChEMBL_29000 (CHEMBL643475)	Binding affinity against adenosine A1 receptor of rat without and after pre-incubation with alkaline phosphatase
50027774	19	ChEMBL_561596 (CHEMBL1019774)	Inhibition of JAK3
50027774	20	ChEMBL_561598 (CHEMBL1019776)	Inhibition of JAK1
50027774	21	ChEMBL_561597 (CHEMBL1019775)	Inhibition of JAK2
50027774	22	ChEMBL_561599 (CHEMBL1019777)	Inhibition of ROCK2
50027775	5	ChEMBL_561948 (CHEMBL1021466)	Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells
50027780	12	ChEMBL_561988 (CHEMBL1010051)	Inhibition of MMP9
50027780	13	ChEMBL_561990 (CHEMBL1010053)	Inhibition of MMP14
50027781	5	ChEMBL_562006 (CHEMBL1010944)	Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level
50027781	6	ChEMBL_562005 (CHEMBL1010943)	Inhibition of cyclooxygenase 1 in human whole blood assessed as thromboxane B2 level
50027782	4	ChEMBL_556924 (CHEMBL954950)	Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation
50027782	5	ChEMBL_556927 (CHEMBL954953)	Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation
50009539	1	ChEMBL_278 (CHEMBL881818)	Inhibition affinity against 5-HT-1B receptor in rat frontal cortex using radio binding assay
50009539	4	ChEMBL_1086 (CHEMBL616409)	Inhibition activity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using radio binding assays
50009539	2	ChEMBL_279 (CHEMBL884540)	Inhibition affinity against 5-HT-1D receptor in bovine caudate nucleus using radio binding assay
50009539	3	ChEMBL_3531 (CHEMBL884710)	Inhibition of 5-hydroxytryptamine reuptake
50027803	20	ChEMBL_557471 (CHEMBL962249)	Inhibition of human VEGFR3
50027803	21	ChEMBL_557459 (CHEMBL962237)	Inhibition of human INSR
50027813	2	ChEMBL_559748 (CHEMBL1013703)	Binding affinity to integrin alpha3 expressed in human MDA-MB-231 cells by flow cytometry
50027818	3	ChEMBL_544743 (CHEMBL1010180)	Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA
50027854	5	ChEMBL_540209 (CHEMBL1029838)	Inhibition of Tie2
50027854	6	ChEMBL_540215 (CHEMBL1029844)	Inhibition of Aurora B
50027854	7	ChEMBL_540211 (CHEMBL1029840)	Inhibition of Tie2 autophosphorylation in human Ea.hy926 cells
50027882	2	ChEMBL_558606 (CHEMBL959862)	Inhibition of human integrin alpha-4-beta-1-mediated MOLT4 cell adhesion to biotin-conjugated CS-1 peptide
50027886	3	ChEMBL_540328 (CHEMBL1036686)	Inhibition of PKCalpha
50027891	1	ChEMBL_558791 (CHEMBL1020785)	Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis
50027891	4	ChEMBL_558790 (CHEMBL1020783)	Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced [35S]GTPgammaS binding
50027895	5	ChEMBL_494294 (CHEMBL938626)	Agonist activity at adrenergic beta-2 receptor
50027895	6	ChEMBL_494301 (CHEMBL938633)	Agonist activity at adrenergic beta-3 receptor in human SK-N-MC cells
50027895	1	ChEMBL_494295 (CHEMBL938627)	Displacement of [125I]iodocynopindolol from human adrenergic beta3 receptor
50027924	3	ChEMBL_540506 (CHEMBL1030610)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50027924	7	ChEMBL_540501 (CHEMBL1030605)	Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells
50027924	8	ChEMBL_540502 (CHEMBL1030606)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells
50027924	9	ChEMBL_540500 (CHEMBL1030604)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50027924	1	ChEMBL_540508 (CHEMBL1030612)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding
50027924	2	ChEMBL_540509 (CHEMBL1030613)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50027972	14	ChEMBL_519642 (CHEMBL946769)	Inhibition of GST-tagged insulin receptor expressed in baculovirus by time-resolved fluorescence assay
50027972	11	ChEMBL_519651 (CHEMBL946778)	Inhibition of human insulin receptor autophosphorylation in transfected mouse NIH3T3 cells
50027972	10	ChEMBL_519402 (CHEMBL948823)	Inhibition of GST-tagged IGF1R (957-1367) (unknown origin) expressed in baculovirus by time-resolved fluorescence assay
50027972	8	ChEMBL_519403 (CHEMBL948824)	Inhibition of human IGF1R autophosphorylation in transfected mouse NIH3T3 cells
50009554	2	ChEBML_34341	Displacement of [3H]- prazosin from human recombinant Alpha-1B adrenergic receptor
50009554	1	ChEBML_33727	Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor
50009554	5	ChEMBL_33727 (CHEMBL647043)	Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor
50027972	15	ChEMBL_519659 (CHEMBL947810)	Binding affinity to IGF1R by liquid scintillation counting
50027972	16	ChEMBL_519647 (CHEMBL946774)	Inhibition of Aurora B
50027993	5	ChEMBL_519716 (CHEMBL951833)	Inhibition of human PKCalpha by scintillation proximity assay
50027999	2	ChEMBL_515165 (CHEMBL1028042)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation
50028006	2	ChEMBL_515217 (CHEMBL990372)	Inhibition of CHK1
50028007	12	ChEMBL_515229 (CHEMBL991252)	Inhibition of human full length PKCeta
50028019	13	ChEMBL_559893 (CHEMBL1011004)	Inhibition of VEGFR3
50028019	14	ChEMBL_560379 (CHEMBL1011981)	Inhibition of FGFR1 phosphorylation expressed in human KM12L4A cells by Western blot analysis
50028019	12	ChEMBL_559888 (CHEMBL1010124)	Inhibition of human recombinant VEGFR2
50028019	15	ChEMBL_560378 (CHEMBL1011980)	Inhibition of PDGFRbeta phosphorylation expressed in human KM12L4A cells Western blot analysis
50028022	8	ChEMBL_515335 (CHEMBL1036512)	Inhibition of HDAC5
50028025	3	ChEMBL_515381 (CHEMBL1025536)	Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay
50028025	1	ChEMBL_515379 (CHEMBL1025534)	Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay
50028046	3	ChEMBL_515651 (CHEMBL1029743)	Displacement of [3H]PK11195 from human PBR receptor
50028063	2	ChEMBL_515757 (CHEMBL1023759)	Displacement of europium labeled human VCAM1 from human VLA4 expressed in CHOK1 cells
50028096	3	ChEMBL_516240 (CHEMBL985097)	Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay
50028133	3	ChEMBL_540790 (CHEMBL1033193)	Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP
50009559	6	ChEMBL_88427 (CHEMBL700787)	Agonist activity for Human PPAR alpha receptor in transcriptional activation assay
50009559	2	ChEMBL_88431 (CHEMBL879147)	Agonist activity for Human PPAR delta receptor in transcriptional activation assay
50009559	4	ChEMBL_88436 (CHEMBL701905)	Agonist activity for Human PPAR gamma receptor in transcriptional activation assay
50009559	1	ChEMBL_139147 (CHEMBL747680)	Agonist activity for murine PPAR delta receptor in transcriptional activation assay
50009559	7	ChEMBL_139152 (CHEMBL747685)	Agonist activity for murine PPAR gamma receptor in transcriptional activation assay
50009559	3	ChEMBL_139142 (CHEMBL743989)	Agonist activity for murine PPAR alpha receptor in transcriptional activation assay
50009559	5	ChEMBL_90223 (CHEMBL697068)	Agonist activity for Human PPAR gamma receptor in transcriptional activation assay
50028133	1	ChEMBL_540791 (CHEMBL1033194)	Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.2 mM ATP
50028136	3	ChEMBL_517117 (CHEMBL989580)	Inhibition of COX1 by enzyme immunoassay
50009562	2	ChEMBL_146762 (CHEMBL755206)	Binding affinity for rat brain Opioid receptor delta 1
50009562	1	ChEMBL_148682 (CHEMBL751056)	Binding affinity for rat brain Opioid receptor mu 1
50009568	5	ChEMBL_201483 (CHEMBL805240)	Inhibition constant against [3H]citalopram in murine kidney cells transfected with human serotonin transporter.
50009568	4	ChEMBL_201478 (CHEMBL804587)	In vitro affinity determined using [3H]citalopram in murine kidney cells transfected with human serotonin transporter (SERT)
50009568	9	ChEMBL_61657 (CHEMBL670791)	Competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with human dopamine transporter
50028145	1	ChEMBL_540844 (CHEMBL1036726)	Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs by ELISA
50009568	1	ChEMBL_61661 (CHEMBL670938)	In vitro affinity determined using [3H]WIN-35428 in murine kidney cells transfected with human dopamine transporter (DAT)
50009568	6	ChEMBL_61669 (CHEMBL670047)	Inhibition constant against [3H]citalopram in murine kidney cells transfected with human dopamine transporter
50009568	2	ChEMBL_61670 (CHEMBL670048)	Inhibition constant against [N-methyl-3H]WIN-35428 in murine kidney cells transfected with human dopamine transporter.
50028145	4	ChEMBL_540840 (CHEMBL1036722)	Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells by FRET assay
50028159	6	ChEMBL_540961 (CHEMBL1030681)	Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor
50028159	7	ChEMBL_540962 (CHEMBL1028119)	Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay
50028159	1	ChEMBL_540959 (CHEMBL1030679)	Displacement of [125I]FK33824 from human cloned mu opioid receptor
50028172	5	ChEMBL_542993 (CHEMBL1018609)	Inhibition of glycine transporter 2
50028172	6	ChEMBL_542992 (CHEMBL1018608)	Inhibition of human glycine transporter 1
50028172	1	ChEMBL_542991 (CHEMBL1018607)	Inhibition of glycine transporter 1 (unknown origin) by HTS assay
50028180	11	ChEMBL_543450 (CHEMBL1015998)	Inhibition of recombinant HDAC5 by fluorimetric assay
50028181	4	ChEMBL_543461 (CHEMBL1016009)	Inhibition of Glyt1
50009572	3	ChEMBL_155539 (CHEMBL759744)	Inhibition of human Phosphodiesterase 7A expressed in Saccharomyces cerevisiae
50028181	5	ChEMBL_543462 (CHEMBL1016010)	Inhibition of Glyt2
50028244	16	ChEMBL_566617 (CHEMBL960143)	Inhibition of Aurora B by virtual HTS assay
50028244	17	ChEMBL_566615 (CHEMBL960141)	Inhibition of insulin receptor by virtual HTS assay
50028244	18	ChEMBL_566610 (CHEMBL964949)	Inhibition of VEGFR3 by virtual HTS assay
50009574	2	ChEMBL_70672 (CHEMBL679310)	Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase
50009574	1	ChEMBL_70670 (CHEMBL679308)	Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase
50028286	8	ChEMBL_562361 (CHEMBL1017975)	Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR
50028286	9	ChEMBL_562362 (CHEMBL1017976)	Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR
50028286	4	ChEMBL_562364 (CHEMBL1017978)	Antagonist activity at P2X2 receptor up to 10 uM
50028286	10	ChEMBL_562367 (CHEMBL1017981)	Antagonist activity at P2X7 receptor up to 10 uM
50028288	10	ChEMBL_565952 (CHEMBL960848)	Inhibition of 5HT6 receptor
50028288	11	ChEMBL_565950 (CHEMBL960846)	Inhibition of 5HT2A receptor
50028288	2	ChEMBL_565944 (CHEMBL960839)	Inhibition of P2X2 receptor (unknown origin)
50028288	12	ChEMBL_565947 (CHEMBL960842)	Inhibition of P2X7 receptor
50028292	4	ChEMBL_565967 (CHEMBL960863)	Agonist activity at delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production by ALPHAscreen assay
50028304	3	ChEMBL_566014 (CHEMBL964113)	Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay
50028304	2	ChEMBL_566013 (CHEMBL964112)	Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay
50028327	2	ChEMBL_567038 (CHEMBL1029935)	Inhibition of Huntingtin protein aggregation by yeast based assay
50028336	2	ChEMBL_564353 (CHEMBL957655)	Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells coexpressing Gqi5 protein by FLIPR assay
50028338	5	ChEMBL_562395 (CHEMBL1018828)	Inhibition of IRK
50028338	3	ChEMBL_562393 (CHEMBL1018826)	Binding affinity to ITK by DELFIA-based molecular assay
50028338	6	ChEMBL_562396 (CHEMBL1018829)	Antagonist activity at human ITK expressed in BTK deficient DT40 cells assessed as inhibition of B cell receptor-stimulated calcium influx
50028338	4	ChEMBL_562394 (CHEMBL1018827)	Inhibition of ITK in presence of 1 mM ATP
50028379	6	ChEMBL_541610 (CHEMBL1011700)	Inhibition of human DPP4 in presence of 50% rat serum
50028379	7	ChEMBL_541593 (CHEMBL1011682)	Inhibition of human FAP
50028379	8	ChEMBL_541590 (CHEMBL1011679)	Inhibition of human DPP4
50028379	9	ChEMBL_541592 (CHEMBL1011681)	Inhibition of human DPP2
50028379	10	ChEMBL_541591 (CHEMBL1011680)	Inhibition of human DPP8
50028381	4	ChEMBL_566454 (CHEMBL958321)	Agonist activity at LXRbeta ligand binding domain by FRET based SRC1 recruitment assay
50028381	5	ChEMBL_566456 (CHEMBL958323)	Agonist activity at human LXRbeta expressed in human SH-SY5Y cells co-transfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay
50028381	1	ChEMBL_566734 (CHEMBL961726)	Agonist activity at human LXRalpha expressed in human SH-SY5Y cells co-transfected with Gal4-LBD after 24 hrs by luciferase reporter gene assay
50028381	6	ChEMBL_566455 (CHEMBL958322)	Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay
50028386	10	ChEMBL_564619 (CHEMBL964059)	Inhibition of HDAC5
50028410	2	ChEMBL_562503 (CHEMBL1011852)	Inhibition of PDE5
50023274	1	ChEMBL_527317 (CHEMBL971959)	Inhibition of rat intestinal sucrase
50009579	5	ChEBML_215994	Inhibitory activity against alpha-chymotrypsin (alpha-CT)
50009579	4	ChEBML_213023	Inhibitory activity against porcine pancreatic trypsin (TRP)
50009579	2	ChEBML_197655	Inhibitory activity against human serine protease chymase
50009579	1	ChEBML_152309	Inhibitory activity against porcine pancreatic elastase (PPE)
50009579	3	ChEBML_45352	Inhibitory activity against human leukocyte cathepsin G
50009581	3	ChEBML_31843	Binding affinity against human Adenosine A3 receptor in CHO cells
50009581	2	ChEMBL_31690 (CHEMBL645772)	Binding affinity against human Adenosine A3 receptor in CHO cells
50009581	4	ChEBML_31374	Binding affinity against human Adenosine A2A receptor in CHO cells
50009581	1	ChEBML_27583	Binding affinity against human Adenosine A1 receptor in CHO cells
50028419	17	ChEMBL_499524 (CHEMBL1022016)	Inhibition of human recombinant DPP4
50028419	18	ChEMBL_499553 (CHEMBL1010601)	Inhibition of human FAP expressed in african green monkey COS1 cells
50028449	12	ChEMBL_565646 (CHEMBL959242)	Inhibition of AKT1
50028449	13	ChEMBL_565649 (CHEMBL959245)	Inhibition of AKT2
50009583	5	ChEBML_213076	In vitro inhibition of trypsin.
50009583	1	ChEBML_48998	In vitro inhibition of coagulation factor Xa.
50009583	6	ChEBML_48309	In vitro inhibition of coagulation factor IIa.
50009583	3	ChEBML_27874	Compound was evaluated for the inhibitory activity against Activated protein C
50009583	4	ChEBML_155428	Compound was tested for its inhibitory activity against Plasmin
50009583	2	ChEBML_225386	Compound was tested for its inhibitory activity against tissue plasminogen activator
50028449	14	ChEMBL_565654 (CHEMBL959250)	Inhibition of PKCalpha
50028450	12	ChEMBL_565677 (CHEMBL960035)	Inhibition of human HDAC5
50028468	4	ChEMBL_501595 (CHEMBL987724)	Antagonist activity at mGluR1
50028474	3	ChEMBL_562591 (CHEMBL1018020)	Displacement of [3H]Org43553 from human luteinizing hormone receptor expressed in CHOK1 cells
50028474	2	ChEMBL_562598 (CHEMBL1018027)	Agonist activity at human luteinizing hormone receptor expressed in CHOK1 cells assessed as c-AMP-mediated luciferase production
50028491	2	ChEMBL_562693 (CHEMBL1012728)	Inhibition of pig kidney microsomal APN
50009591	3	ChEMBL_144612 (CHEMBL750540)	Inhibition of Neutral endopeptidase
50009593	1	ChEBML_68472	Inhibition of Farnesyltransferase
50028509	5	ChEMBL_501292 (CHEMBL971478)	Antagonist activity at DP1 in human platelet-rich plasma assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD2 challenge by scintillation proximity assay
50028509	3	ChEMBL_501291 (CHEMBL971477)	Antagonist activity at DP1 in washed human platelet assessed as inhibition of PGD2-induced [125I]cAMP production preincubated 10 mins before PGD2 challenge by scintillation proximity assay
50028509	13	ChEMBL_501290 (CHEMBL971476)	Binding affinity to CRTH2 receptor
50028509	14	ChEMBL_501283 (CHEMBL971469)	Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay
50028509	15	ChEMBL_501282 (CHEMBL971468)	Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay
50028526	3	ChEMBL_501634 (CHEMBL993724)	Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in human JAR cells after 3 hrs by scintillation counting
50009596	2	ChEBML_156221	Effect on cytosolic Phospholipase A2 (PLA2) activity at a concentration of 100 uM
50009596	5	ChEBML_156195	Inhibition of secretory PLA2 activity in human recombinant synovial enzyme using [3H]oleate labelled membranes at a concentration of 10 uM
50009596	4	ChEBML_156040	Inhibition of secretory PLA2 activity in bee venom enzyme using [3H]oleate labelled membranes at a concentration of 10 uM
50009596	7	ChEMBL_156348 (CHEMBL761679)	Inhibition of secretory PLA2 activity in porcine pancreas using [3H]-oleate labelled membranes at a concentration of 10 uM
50028526	4	ChEMBL_501647 (CHEMBL993737)	Inhibition of human glycine transporter 2
50028538	4	ChEMBL_563264 (CHEMBL981021)	Inhibition of recombinant memapsin 2
50028548	8	ChEMBL_501962 (CHEMBL985885)	Inhibition of MAPK2
50028548	3	ChEMBL_501964 (CHEMBL985887)	Inhibition of SAPK2b
50028548	23	ChEMBL_501966 (CHEMBL985889)	Inhibition of IR
50028562	7	ChEMBL_500223 (CHEMBL980690)	Inhibition of aggrecanase1
50028562	8	ChEMBL_500228 (CHEMBL980695)	Inhibition of MMP14
50028562	9	ChEMBL_500235 (CHEMBL966873)	Inhibition of aggrecanase2
50028583	7	ChEMBL_500498 (CHEMBL1009675)	Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells
50028583	2	ChEMBL_500499 (CHEMBL1009676)	Agonist activity at human cloned ORL1 receptor assessed as stimulation of GTPgammaS binding
50028583	6	ChEMBL_500501 (CHEMBL1009678)	Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding
50028583	8	ChEMBL_500504 (CHEMBL1009681)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells
50009608	1	ChEBML_141325	Inhibition of N-type calcium channel (VSCC) in IMR-32 at 10 uM
50028583	9	ChEMBL_500500 (CHEMBL1009677)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells
50009610	1	ChEBML_204908	Compound was tested for inhibition against human Steroid 5-alpha-reductase type 2
50009610	2	ChEBML_205057	Inhibition of human Steroid 5-alpha-reductase type I
50028587	12	ChEMBL_563640 (CHEMBL963375)	Inhibition of CDK2/Cyclin E
50028587	17	ChEMBL_563643 (CHEMBL963378)	Inhibition of CDK2/Cyclin A
50028587	18	ChEMBL_563647 (CHEMBL963382)	Inhibition of CDK5/P35
50028587	19	ChEMBL_563672 (CHEMBL963407)	Inhibition of IKK-beta
50028587	20	ChEMBL_563648 (CHEMBL963383)	Inhibition of CDK6/cyclin D3
50028587	21	ChEMBL_563649 (CHEMBL963384)	Inhibition of CDK9/cyclin T1
50028587	14	ChEMBL_563646 (CHEMBL963381)	Inhibition of CDK5/P25
50028587	22	ChEMBL_563671 (CHEMBL963406)	Inhibition of IKKalpha
50028587	23	ChEMBL_563645 (CHEMBL963380)	Inhibition of CDK4/Cyclin D1
50028587	24	ChEMBL_563670 (CHEMBL963405)	Inhibition of ERK1
50009615	2	ChEMBL_70309 (CHEMBL677856)	Inhibition of fibrinogen binding to purified human GPIIb-IIIa in ELISA
50009617	1	ChEMBL_156217 (CHEMBL767159)	The compound was tested for inhibition of Lipoprotein-associated phospholipase A2 (Lp-PLA2)
50028587	25	ChEMBL_563642 (CHEMBL963377)	Inhibition of CDK1/Cyclin B
50028587	26	ChEMBL_563669 (CHEMBL963404)	Inhibition of cRAF
50028587	27	ChEMBL_563644 (CHEMBL963379)	Inhibition of CDK3/Cyclin E
50028587	28	ChEMBL_563667 (CHEMBL963402)	Inhibition of AKT3
50028587	29	ChEMBL_563668 (CHEMBL963403)	Inhibition of CHK1
50028591	15	ChEMBL_500737 (CHEMBL970516)	Inhibition of PDE5
50028604	2	ChEMBL_501393 (CHEMBL1010576)	Inhibition of human recombinant Arg235 region of BACE1 by FRET assay
50028613	6	ChEMBL_502048 (CHEMBL981259)	Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry
50009620	6	ChEMBL_33536 (CHEMBL873182)	Binding affinity towards alpha-2C adrenergic receptor
50009620	4	ChEMBL_33079 (CHEMBL647726)	Binding affinity towards Alpha-2A adrenergic receptor
50009620	5	ChEMBL_33680 (CHEMBL646821)	Binding affinity towards alpha-2D adrenergic receptor
50009621	1	ChEMBL_40443 (CHEMBL652382)	Inhibition of binding of [3H]BK to rat bradykinin B2 receptor expressed in NG108-15 neuroblastoma-glioma hybrid cell membranes
50009622	1	ChEMBL_106539 (CHEMBL714800)	Agonist potency against cloned Metabotropic glutamate receptor 3
50009623	1	ChEMBL_159743 (CHEMBL762907)	In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2
50009624	1	ChEMBL_71750 (CHEMBL680272)	Competitive radioligand binding assay, in human HEK293 cells stably transfected with the rat Gonadotropin-releasing hormone receptor
50009625	1	ChEMBL_71751 (CHEMBL680273)	Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK293
50009626	2	ChEMBL_71743 (CHEMBL680265)	Affinity for rat gonadotrophin releasing hormone (GnRH) receptor using HEK293 cells transfected with rat Gonadotropin-releasing hormone receptor
50009626	1	ChEMBL_71744 (CHEMBL680266)	Affinity for rat Gonadotropin-releasing hormone receptor membrane evaluated using HEK293 cells transfected with rat Gonadotropin-releasing hormone receptor
50009627	1	ChEMBL_71869 (CHEMBL877834)	Binding affinity towards Gonadotropin-releasing hormone receptor
50028634	4	ChEMBL_498896 (CHEMBL972490)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50028634	5	ChEMBL_498900 (CHEMBL972494)	Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50028634	6	ChEMBL_498898 (CHEMBL972492)	Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50009632	1	ChEMBL_63363 (CHEMBL676099)	In vitro ability to antagonise the binding of [125I]ET1 to the rat aortic A10 cell membrane endothelin A receptor.
50009633	1	ChEMBL_72360 (CHEMBL686597)	Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay method
50028647	5	ChEMBL_497812 (CHEMBL1007108)	Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50028647	6	ChEMBL_497790 (CHEMBL1007086)	Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50028647	7	ChEMBL_497791 (CHEMBL1007087)	Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50009635	5	ChEMBL_158329 (CHEMBL767812)	Affinity for Prostanoid EP4 receptor expressed in CHO cells
50009635	1	ChEMBL_158455 (CHEMBL763259)	Affinity for human Prostanoid FP receptor expressed in COS-7 cells
50009635	2	ChEMBL_157788 (CHEMBL767847)	Affinity for human Prostaglandin D2 receptor expressed in HEK293 cells
50009635	6	ChEMBL_158006 (CHEMBL768432)	Affinity for Prostaglandin I2 receptor expressed in CHO cells
50009635	4	ChEMBL_158298 (CHEMBL763183)	Affinity for Prostanoid EP2 receptor expressed in CHO cells
50009635	3	ChEMBL_158172 (CHEMBL766135)	Affinity for Prostanoid EP1 receptor expressed in COS-7 cells.
50009635	8	ChEMBL_158473 (CHEMBL764131)	Affinity for Prostanoid TP receptor expressed in CHO cells
50009635	7	ChEMBL_158314 (CHEMBL763371)	Affinity for Prostanoid EP3 receptor expressed in CHO cell line
50028650	3	ChEMBL_497843 (CHEMBL1003026)	Inhibition of mouse recombinant GARFTase
50028650	4	ChEMBL_497844 (CHEMBL1003027)	Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of azaserine
50028657	1	ChEMBL_498033 (CHEMBL1000236)	Displacement of [3H]PDBu form human PKCalpha in presence of phosphatidylserine
50028657	11	ChEMBL_498039 (CHEMBL1000242)	Displacement of [3H]PDBu form human PKCbeta in presence of plasma membrane lipid mimetic mixture
50028657	6	ChEMBL_498040 (CHEMBL1000243)	Displacement of [3H]PDBu form human PKCgamma in presence of plasma membrane lipid mimetic mixture
50028657	5	ChEMBL_498042 (CHEMBL995913)	Displacement of [3H]PDBu form human PKCepsilon in presence of plasma membrane lipid mimetic mixture
50028657	4	ChEMBL_498041 (CHEMBL995912)	Displacement of [3H]PDBu form human PKCdelta in presence of plasma membrane lipid mimetic mixture
50028657	12	ChEMBL_498038 (CHEMBL1000241)	Displacement of [3H]PDBu form human PKCalpha in presence of plasma membrane lipid mimetic mixture
50028657	13	ChEMBL_498035 (CHEMBL1000238)	Displacement of [3H]PDBu form human PKCgamma in presence of phosphatidylserine
50028657	14	ChEMBL_498036 (CHEMBL1000239)	Displacement of [3H]PDBu form human PKCdelta in presence of phosphatidylserine
50028683	7	ChEMBL_498204 (CHEMBL980736)	Inhibition of human recombinant type 1 3-alpha-HSD expressed in Escherichia coli JM109
50028683	8	ChEMBL_498210 (CHEMBL968790)	Inhibition of human recombinant 20-alpha HSD expressed in BAEC assessed as inhibition of progesterone metabolism treated 2 hrs before progesterone challenge measured after 6 hrs by LC-MS analysis
50028683	9	ChEMBL_498203 (CHEMBL980735)	Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109
50028683	4	ChEMBL_498201 (CHEMBL980733)	Inhibition of human recombinant 20-alpha HSD expressed in Escherichia coli JM109
50028715	2	ChEMBL_500751 (CHEMBL970530)	Inhibition of BACE1 at pH 6.5
50028715	1	ChEMBL_500750 (CHEMBL970529)	Inhibition of BACE1 at pH 4.5
50028715	5	ChEMBL_500336 (CHEMBL973428)	Inhibition of BACE1 at pH 6.4
50028718	4	ChEMBL_500760 (CHEMBL970539)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from human recombinant NPC1L1 expressed in HEK293 cells
50009639	6	ChEMBL_162423 (CHEMBL771826)	Inhibition of PTPase activity using recombinant Protein-tyrosine phosphatase 1B as the enzyme and IR-triphosphopeptide as substrate
50009639	1	ChEMBL_221212 (CHEMBL842437)	Inhibition of PTPase activity using recombinant r-PTP1B as the enzyme and IR-triphosphopeptide as substrate
50009639	3	ChEMBL_154462 (CHEMBL756965)	Inhibition of PTPase activity in rat hepatic membrane at a concentration of 50 uM using pNPP as the substrate
50009639	2	ChEMBL_161561 (CHEMBL856213)	Concentration required to inhibit PTPase activity, recombinant Protein Tyrosine Phosphatase 1b as the enzyme
50009639	5	ChEMBL_161562 (CHEMBL768925)	Concentration required to inhibit PTPase activity, recombinant Protein Tyrosine Phosphatase 1b as the enzyme at a concentration 2.5 uM. 
50009639	4	ChEMBL_221210 (CHEMBL842435)	Concentration required to inhibit PTPase activity, recombinant r-PTP1B as the enzyme at a concentration 2.5 uM. 
50009640	8	ChEMBL_934 (CHEMBL616299)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1A receptor
50009640	7	ChEMBL_3622 (CHEMBL618125)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 6 receptor
50009640	9	ChEMBL_140883 (CHEMBL748006)	Compound was evaluated for its binding affinity towards human NET(norepinephrine) transporter
50009640	4	ChEMBL_3619 (CHEMBL618122)	Binding affinity for human 5-hydroxytryptamine 6 receptor expressed in HEK 293 human embryonic kidney cells, [3H]-lysergic acid diethylamide as radioligand
50009640	12	ChEMBL_2835 (CHEMBL621521)	Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2C receptor
50009640	3	ChEMBL_2655 (CHEMBL618904)	Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2A receptor
50009640	15	ChEMBL_1722 (CHEMBL616927)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor
50009640	1	ChEMBL_3585 (CHEMBL618072)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 5A receptor
50009640	10	ChEMBL_3695 (CHEMBL620829)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 7 receptor
50009640	2	ChEMBL_2053 (CHEMBL872911)	Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1E receptor
50009640	5	ChEMBL_201373 (CHEMBL805518)	Compound was evaluated for its binding affinity towards human serotonin transporter
50009640	14	ChEMBL_3467 (CHEMBL618150)	Compound was evaluated for its binding affinity towards 5-hydroxytryptamine 3 receptor
50009640	11	ChEMBL_2836 (CHEMBL621522)	Compound was evaluated for its binding affinity towards rat r5-hydroxytryptamine 2C receptor
50009640	13	ChEMBL_3466 (CHEMBL872927)	Compound was evaluated for its binding affinity towards 5-hydroxytryptamine 3 receptor
50009640	6	ChEMBL_140882 (CHEMBL752513)	Compound was evaluated for its binding affinity towards human NET (norepinephrine) transporter
50028718	6	ChEMBL_500761 (CHEMBL970540)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from NPC1L1 in human enterocyte brush border membrane
50028722	7	ChEMBL_545894 (CHEMBL1035210)	Inhibition of TACE by FRET assay
50028722	8	ChEMBL_545900 (CHEMBL1035216)	Inhibition of MMP14 by FLIPR assay
50028743	9	ChEMBL_500555 (CHEMBL971420)	Inhibition of CARM1 assessed as blockade of histone H3 methylation
50028743	10	ChEMBL_500565 (CHEMBL971430)	Inhibition of PRMT3 by methylation assay
50028744	3	ChEMBL_500566 (CHEMBL971431)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosphate production by scintillation proximity assay
50028747	2	ChEMBL_545969 (CHEMBL1025123)	Inhibition of pig kidney microsomal Aminopeptidase N
50028764	3	ChEMBL_522795 (CHEMBL999748)	Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells by liquid scintillation counting
50028765	4	ChEMBL_522831 (CHEMBL1002499)	Inhibition of human CYP3A4
50028765	2	ChEMBL_522802 (CHEMBL999755)	Displacement of [125I]-(S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-iodophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid from VLA4 in human whole blood by competitive binding assay
50028765	5	ChEMBL_522801 (CHEMBL999754)	Displacement of [125I]-(S)-2-((2S,4R)-4-(azetidin-1-yl)-1-(3-iodophenylsulfonyl)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid from VLA4 in human Jurkat cells washed with Hepes buffer by competitive binding assay
50028766	9	ChEMBL_522848 (CHEMBL1002516)	Inhibition of wild type His-tagged HDAC5 catalytic domain T678-L1122 expressed in Escherichia coli
50028770	11	ChEMBL_523122 (CHEMBL1007480)	Inhibition of human PKCeta by IMAP assay
50028783	7	ChEMBL_523765 (CHEMBL1008373)	Inhibition of human MMP9
50028827	10	ChEMBL_523924 (CHEMBL1001517)	Activity at Cav 1.2 channel
50028827	11	ChEMBL_523915 (CHEMBL1001508)	Inhibition of human soluble epoxide hydrolase
50028827	6	ChEMBL_523917 (CHEMBL1001510)	Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET production
50028827	12	ChEMBL_523923 (CHEMBL1001516)	Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5
50028827	13	ChEMBL_523919 (CHEMBL1001512)	Inhibition of CYP2D6
50028827	14	ChEMBL_523918 (CHEMBL1001511)	Inhibition of CYP2C9
50028827	15	ChEMBL_523920 (CHEMBL1001513)	Inhibition of CYP3A4
50028827	16	ChEMBL_523916 (CHEMBL1001509)	Inhibition of rat soluble epoxide hydrolase
50028827	17	ChEMBL_523914 (CHEMBL1001507)	Inhibition of human microsomal epoxide hydrolase
50028835	10	ChEMBL_520036 (CHEMBL939875)	Binding affinity to norepinephrine transporter
50028835	11	ChEMBL_520026 (CHEMBL952690)	Binding affinity to beta2 adrenoceptor
50028835	12	ChEMBL_520034 (CHEMBL939873)	Binding affinity to dopamine transporter
50028835	13	ChEMBL_520035 (CHEMBL939874)	Binding affinity to serotonin transporter
50028851	9	ChEMBL_545993 (CHEMBL1027697)	Antagonist activity at mGlu1 receptor
50030169	2	ChEMBL_548718 (CHEMBL1028405)	Displacement of [3H]PDBu form PKCalpha
50030194	17	ChEMBL_486184 (CHEMBL1016592)	Displacement of [3H]U-69593 from kappa opioid receptor
50009650	3	ChEMBL_51202 (CHEMBL664321)	Inhibition of heterologously expressed human cytochrome P450 2C19
50030194	20	ChEMBL_486183 (CHEMBL1013977)	Displacement of [3H]DPDPE from delta opioid receptor
50009650	5	ChEMBL_51373 (CHEMBL663704)	Inhibition of heterologously expressed human cytochrome P450 1A2
50009650	4	ChEMBL_51355 (CHEMBL666156)	Inhibition of heterologously expressed human cytochrome P450 1A2
50030194	18	ChEMBL_485933 (CHEMBL1013936)	Displacement of [3H]AF-DX384 from muscarinic M2 receptor
50030194	19	ChEMBL_485932 (CHEMBL1013935)	Displacement of [3H]pirenzepine from muscarinic M1 receptor
50030212	9	ChEMBL_506208 (CHEMBL941412)	Inhibition of EGFR
50030212	10	ChEMBL_506203 (CHEMBL941407)	Inhibition of p56 lck
50009650	1	ChEMBL_51900 (CHEMBL666006)	Inhibition of heterologously expressed human cytochrome P450 3A4
50009650	7	ChEMBL_51531 (CHEMBL660391)	Inhibition of heterologously expressed human cytochrome P450 2C9
50009650	2	ChEMBL_51715 (CHEMBL663530)	Inhibition of heterologously expressed human cytochrome P450 2D6
50030212	2	ChEMBL_506200 (CHEMBL941404)	Inhibition of EGFR in human A431 cells
50030212	11	ChEMBL_506205 (CHEMBL941409)	Inhibition of insulin receptor
50009653	3	ChEMBL_1774 (CHEMBL616558)	Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex using [125I]iodocyanopindolol as radio-ligand.
50009653	2	ChEMBL_1975 (CHEMBL617580)	Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex using [125I]iodocyanopindolol as radio-ligand.
50009653	1	ChEMBL_843 (CHEMBL615406)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [125I]iodocyanopindolol as radio-ligand.
50009654	4	ChEMBL_29119 (CHEMBL642253)	Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]CHA at a concentration of 20 uM
50009654	2	ChEMBL_31868 (CHEMBL644389)	Binding affinity towards human adenosine A3 receptor expressed in HEK293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM
50009654	5	ChEMBL_31053 (CHEMBL642124)	Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM
50009654	3	ChEMBL_31867 (CHEMBL644388)	Binding affinity towards human adenosine A3 receptor expressed in HEK293 cells using [125I]AB-MECA at 1 uM
50009654	1	ChEMBL_29120 (CHEMBL642254)	Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM
50009655	4	ChEMBL_31993 (CHEMBL646441)	Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]IABA radioligand.
50009655	2	ChEMBL_29464 (CHEMBL642193)	Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]R-PIA radioligand.
50009655	1	ChEMBL_27592 (CHEMBL644312)	Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK293 cells in presence of [125I]IABA radioligand.
50009655	10	ChEMBL_4794 (CHEMBL618339)	Antagonist activity against human A2B adenosine receptor expressed in HEK293 cells uisng [3H]ZM-241385 or [125I]-IABOPX
50009655	8	ChEMBL_31379 (CHEMBL644471)	Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK293 cells in presence of [125I]iodo-ZM-241385 radioligand.
50009655	6	ChEMBL_30015 (CHEMBL641306)	Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]CGS-21680 radioligand.
50009655	3	ChEMBL_29454 (CHEMBL641039)	Antagonist activity against rat adenosine A1 receptor in rat brain membrane using [3H]R-PIA
50009655	9	ChEMBL_30483 (CHEMBL641435)	Antagonist activity against rat adenosine A3 receptor using [125I]I-AB-MECA or [125 I]IABA
50009655	7	ChEMBL_31491 (CHEMBL649800)	Antagonist activity against human adenosine A2A receptor expressed in HEK293 cells using [125 I]indo-ZM-241385
50009655	5	ChEMBL_31994 (CHEMBL646442)	Antagonist activity against human adenosine A3 receptor expressed in HEK cells using [125] IAB-MECA or [125 I]IABA
50030219	8	ChEMBL_496901 (CHEMBL1001996)	Inhibition of MMP14
50030219	9	ChEMBL_496899 (CHEMBL1001176)	Inhibition of MMP3
50030225	2	ChEMBL_493930 (CHEMBL947342)	Inhibition of human cytosolic PLA2alpha by GLU micelle assay
50009662	1	ChEMBL_205742 (CHEMBL814181)	compounds were evaluated for inhibitory activity against human Tachykinin receptor 1
50009664	2	ChEBML_145264	Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells
50009664	1	ChEBML_149006	Inhibition of [3H]DAMGO binding to rat Opioid receptor mu 1
50009665	1	ChEBML_143310	Antagonistic activity against NR1A/2A receptors in frog oocytes
50009665	3	ChEBML_143319	Antagonistic activity against NR1A/2B receptor in frog oocytes
50009665	2	ChEBML_143328	Antagonistic activity against NR1A/2C receptor in frog oocytes
50009670	1	ChEBML_66419	Binding affinity of compound for FK506 binding protein 12
50009672	2	ChEMBL_50481 (CHEMBL658183)	Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes
50030231	3	ChEMBL_494628 (CHEMBL945287)	Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry
50030231	4	ChEMBL_494629 (CHEMBL945288)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting
50030238	2	ChEMBL_496057 (CHEMBL998487)	Inhibition of COX1 assessed as inhibition of arachidonic acid conversion to prostaglandin-E2 release
50030240	3	ChEMBL_518781 (CHEMBL960417)	Displacement of europium labeled galanin from human recombinant GalR1 receptor by time-resolved fluorescence binding assay
50030269	3	ChEMBL_572850 (CHEMBL1033526)	Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21
50030269	4	ChEMBL_572851 (CHEMBL1033527)	Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21
50030275	4	ChEMBL_570822 (CHEMBL789930)	Displacement of [3H]glycine from GlyT2
50030275	5	ChEMBL_570823 (CHEMBL792716)	Binding affinity to GlyT1
50030277	3	ChEMBL_571203 (CHEMBL1031962)	Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry
50030277	4	ChEMBL_571201 (CHEMBL1031960)	Inhibition of human liver FBPase
50030278	5	ChEMBL_571403 (CHEMBL1029443)	Inhibition of COX1
50030285	4	ChEMBL_571640 (CHEMBL1031295)	Inhibition of Aurora-B
50030285	7	ChEMBL_571639 (CHEMBL1031294)	Inhibition of Aurora-A by coupled assay
50009679	1	ChEBML_159910	Inhibitory activity against human prostaglandin G/H synthase 2 in ECV-304 cells measured by the presence of PGE-2
50030285	8	ChEMBL_571655 (CHEMBL1031310)	Inhibition of Aurora-B by time dependent kinetic study
50030297	12	ChEMBL_572390 (CHEMBL1035291)	Inhibition of CYP4A4
50030297	18	ChEMBL_572392 (CHEMBL1035293)	Inhibition of human PPARalpha receptor by scintillation proximity assay
50030297	21	ChEMBL_572391 (CHEMBL1035292)	Inhibition of human PPARgamma receptor by scintillation proximity assay
50030297	14	ChEMBL_572392 (CHEMBL1035293)	Inhibition of human PPARalpha receptor by scintillation proximity assay
50030297	2	ChEMBL_572391 (CHEMBL1035292)	Inhibition of human PPARgamma receptor by scintillation proximity assay
50030297	15	ChEMBL_572395 (CHEMBL1036131)	Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation assay
50030297	19	ChEMBL_572395 (CHEMBL1036131)	Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation assay
50030298	12	ChEMBL_572572 (CHEMBL1025188)	Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells
50030298	13	ChEMBL_572573 (CHEMBL1025189)	Antagonist activity at human ORL1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50030305	6	ChEMBL_572894 (CHEMBL1035256)	Inhibition of recombinant MRP1 expressed in human HeLa T5 cells assessed as ATP-dependent transport of [3H]para-aminohippurate
50030305	7	ChEMBL_572883 (CHEMBL1034443)	Inhibition of MRP1 expressed in multidrug resistant human 2008 cells assessed as calcein AM accumulation by fluorescence assay in presence of p-gp and BCRP inhibitor XR9577
50030305	2	ChEMBL_572893 (CHEMBL1035255)	Inhibition of MRP1-mediated transport of [3H]LTC4 expressed in human HeLa T5 cells by liquid scintillation counting
50030305	4	ChEMBL_572897 (CHEMBL1035259)	Inhibition of MRP1
50030309	12	ChEMBL_571085 (CHEMBL812786)	Inhibition of MMP9
50030309	13	ChEMBL_571087 (CHEMBL816871)	Inhibition of human recombinant MMP14
50030309	11	ChEMBL_571091 (CHEMBL816917)	Inhibition of MMP13-mediated collagen degradation by SDS-PAGE
50030309	14	ChEMBL_571090 (CHEMBL816916)	Inhibition of MMP1-mediated collagen degradation by SDS-PAGE
50030309	15	ChEMBL_571086 (CHEMBL816870)	Inhibition of MMP13
50030309	16	ChEMBL_571082 (CHEMBL813182)	Inhibition of MMP2
50030309	1	ChEMBL_571081 (CHEMBL813135)	Inhibition of MMP1
50030318	1	ChEMBL_574521 (CHEMBL1030360)	Inhibition of BACE1
50030318	4	ChEMBL_574523 (CHEMBL1030362)	Inhibition of BACE1 expressed in CHO cells expressing human recombinant APP assessed as amyloid beta40 aggregation
50030332	6	ChEMBL_575594 (CHEMBL1036439)	Inhibition of 6xHis-tagged human NPM-ALK expressed in insect cells
50009684	2	ChEBML_208412	Inhibitory effect on topoisomerase-1 mediated DNA cleavage using supercoiled pBR322 plasmid DNA
50030332	7	ChEMBL_575595 (CHEMBL1036440)	Inhibition of human recombinant IRK
50030336	5	ChEMBL_575802 (CHEMBL1057726)	Binding affinity to BACE assessed as displacement of [3H]BMS-599240
50030336	1	ChEMBL_575803 (CHEMBL1024504)	Inhibition of BACE1 in human HEK293 cells overexpressing APP with Swedish mutation assessed as inhibition of amyloid beta 40 production
50009685	1	ChEBML_67532	Inhibition of ErmAM methylase
50009687	2	ChEBML_71423	In vitro inhibition of GnRH stimulated release of luteinizing hormone from the rat primary pituitary cells.
50009688	10	ChEMBL_220105 (CHEMBL842870)	Inhibition of platelet aggregation in human platelet rich plasma (hPRP)
50009688	7	ChEMBL_220133 (CHEMBL841416)	Inhibition of GPIIb/IIIa binding in activated human platelets
50009688	8	ChEMBL_155317 (CHEMBL759888)	Inhibition of Platelet glycoprotein IIb/Platelet glycoprotein IIIa binding in unactivated human platelets
50009689	1	ChEBML_144283	Compound was evaluated for the binding affinity against human neurotensin receptor (hNTR)-1 expressed in CHO cells
50009692	4	ChEBML_38612	Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]DHA binding in rat lung; Not Active means Ki >1000 nM
50009692	5	ChEMBL_38611 (CHEMBL652294)	Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]DHA binding in rat lung
50009692	9	ChEMBL_37544 (CHEMBL647626)	Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]dihydroalprenolol binding in rat heart; Not Active means Ki >1000 nM
50009692	7	ChEBML_37545	Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]dihydroalprenolol binding in rat heart; Not Active means Ki >1000 nM
50009692	6	ChEMBL_37545 (CHEMBL647627)	Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]dihydroalprenolol binding in rat heart; Not Active means Ki >1000 nM
50030336	3	ChEMBL_575804 (CHEMBL1024505)	Inhibition of human BACE
50030338	3	ChEMBL_575816 (CHEMBL1025323)	Inhibition of IKK1-catalyzed phosphorylation of GST-tagged IkappaBalpha fusion protein by fluorescence polarization assay
50030346	5	ChEMBL_576092 (CHEMBL1057733)	Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRbeta ligand binding domain (154-461) expressed in Escherichia coli
50030346	6	ChEMBL_576093 (CHEMBL1057734)	Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRalpha ligand binding domain (197-447) expressed in Escherichia coli
50009695	1	ChEBML_221661	Inhibition of human purified recombinant pp60c-src tyrosine kinase
50009696	1	ChEBML_221664	Inhibition of human recombinant p60 c-Src tyrosine kinase
50009698	1	ChEBML_199538	Compound was evaluated for its inhibition constant against scytalone dehydratase (SD)
50009700	1	ChEBML_49486	Inhibition of Clostridium histolyticum collagenase using a linear regression program
50009700	2	ChEMBL_49487 (CHEMBL662782)	Inhibition of Clostridium histolyticum collagenase (ChC) using a linear regression program
50030346	2	ChEMBL_576095 (CHEMBL1057736)	Agonist activity at human LXRbeta ligand binding domain (219-462) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactivation assay
50009702	3	ChEBML_1229	Inhibitory concentration against binding of 5-hydroxytryptamine 1A receptor from striata of male Wistar rats by displacement of [3H]8-OH-DPAT
50009702	7	ChEMBL_61113 (CHEMBL672303)	Inhibitory concentration against binding of Dopamine receptor D2 by displacement of [3H]spiperone
50009702	5	ChEBML_61120	Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone
50009702	6	ChEMBL_1229 (CHEMBL616181)	Inhibitory concentration against binding of 5-hydroxytryptamine 1A receptor from striata of male Wistar rats by displacement of [3H]8-OH-DPAT
50030346	3	ChEMBL_576266 (CHEMBL1027818)	Agonist activity at human LXRalpha ligand binding domain (205-448) expressed in human HuH7 cells co-transfected with Gal4-DBD by luciferase transactivation assay
50030388	7	ChEMBL_578690 (CHEMBL1063071)	Agonist activity at human NOP receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence of GDP
50030388	8	ChEMBL_578688 (CHEMBL1063069)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells by Topcount microplate scintillation counting
50030388	2	ChEMBL_578685 (CHEMBL1063066)	Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting
50030388	9	ChEMBL_578691 (CHEMBL1063072)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as increase in SCH-221510-stimulated [35S]GTPgammaS binding in presence of GDP
50030390	9	ChEMBL_579082 (CHEMBL1062284)	Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis
50009710	1	ChEMBL_161563 (CHEMBL768926)	In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)
50009710	2	ChEMBL_161564 (CHEMBL768927)	in vitro inhibitory activity against recombinant human Protein Tyrosine Phosphatase 1b
50030390	6	ChEMBL_579092 (CHEMBL1062294)	Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay
50030390	7	ChEMBL_579093 (CHEMBL1062295)	Inhibition of MRP1
50030390	10	ChEMBL_579094 (CHEMBL1062296)	Inhibition of MRP2
50030390	5	ChEMBL_579083 (CHEMBL1062285)	Inhibition of MRP1 in human 2008/MRP1 cells by dixon plot analysis
50030390	1	ChEMBL_579061 (CHEMBL1053122)	Reversal of MRP1-mediated doxorubicin-resistance in human HeLa-T5 cells assessed as reduction of doxorubicin IC50 percent by half
50030390	4	ChEMBL_579091 (CHEMBL1062293)	Inhibition of MRP1 transfected in MDCK2 cells assessed as inhibition of calcein transport
50030390	2	ChEMBL_579066 (CHEMBL1053127)	Reversal of MRP1-mediated doxorubicin-resistance in human 2008/MRP1 cells assessed as reduction of doxorubicin IC50 percent by half
50030391	16	ChEMBL_579262 (CHEMBL1058828)	Inhibition of human Aggrecanase 2
50030391	17	ChEMBL_579258 (CHEMBL1058824)	Inhibition of human MMP9
50030391	18	ChEMBL_579259 (CHEMBL1058825)	Inhibition of human MMP14
50030391	19	ChEMBL_579261 (CHEMBL1058827)	Inhibition of human Aggrecanase 1
50030392	1	ChEMBL_580004 (CHEMBL1051692)	Agonist activity at FPR1 in human neutrophiles assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030392	13	ChEMBL_580001 (CHEMBL1051689)	Agonist activity at FPR1 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030392	9	ChEMBL_580006 (CHEMBL1051694)	Agonist activity at FPR1 in human neutrophiles by chemotaxis assay
50030392	5	ChEMBL_580005 (CHEMBL1051693)	Agonist activity at FPRL1 in human neutrophiles assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030392	2	ChEMBL_580002 (CHEMBL1051690)	Agonist activity at FPRL1 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030392	4	ChEMBL_580004 (CHEMBL1051692)	Agonist activity at FPR1 in human neutrophiles assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030392	14	ChEMBL_580007 (CHEMBL1051695)	Agonist activity at FPRL1 in human neutrophiles by chemotaxis assay
50030392	8	ChEMBL_580003 (CHEMBL1051691)	Agonist activity at FPRL2 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50030427	3	ChEMBL_579024 (CHEMBL1052410)	Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay
50009713	7	ChEMBL_61451 (CHEMBL670677)	Displacement of [3H]raclopride from human Dopamine receptor D2A
50009713	4	ChEMBL_931 (CHEMBL615779)	Binding affinity was measured on cloned Human 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT
50009713	2	ChEMBL_3754 (CHEMBL620754)	Displacement of [3H]5-HT from over-expressed rat 5-hydroxytryptamine 7 receptor
50009713	3	ChEMBL_1146 (CHEMBL616091)	Binding affinity was measured on cloned rat 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT
50009713	5	ChEMBL_932 (CHEMBL615780)	Binding affinity was measured on cloned human 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT
50009713	6	ChEMBL_52596 (CHEMBL664743)	Binding affinity was measured on cloned Human D2A Receptor which is labeled by [3H]raclopride
50009713	1	ChEMBL_3753 (CHEMBL620753)	Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]5-HT
50030441	4	ChEMBL_579664 (CHEMBL1064084)	Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay
50009715	4	ChEMBL_103153 (CHEMBL711298)	Inhibitory concentration for inhibition of electrically induced smooth muscle contractions of MVD (mouse vas deferens) myenteric-plexus-longitudinal muscle strips.
50009715	7	ChEMBL_217727 (CHEMBL823791)	Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.
50009715	8	ChEMBL_166191 (CHEMBL771030)	Binding affinities against delta opioid receptor of rat brain using [3H]-nor BNI as radioligand.
50009715	6	ChEMBL_217866 (CHEMBL822189)	Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.
50009715	5	ChEMBL_146904 (CHEMBL751117)	Binding affinity against Opioid receptor delta 1 of rat brain using [3H]-nor BNI as radioligand.
50009715	3	ChEMBL_146902 (CHEMBL751115)	Binding affinities against Opioid receptor delta 1 of rat brain using [3H]p-Cl-Phe4-DPDPE as radioligand.
50009715	2	ChEMBL_184414 (CHEMBL791516)	Binding affinities against delta opioid receptor of rat brain using [3H]DAMGO as radioligand.
50009715	9	ChEMBL_70364 (CHEMBL677189)	inhibitory concentration for inhibition of electrically induced smooth muscle contractions of GPI (guinea pig ileum) myenteric-plexus-longitudinal muscle strips.
50009715	10	ChEMBL_181698 (CHEMBL788107)	binding affinities against delta opioid receptor of rat brain using [3H]DAMGO as radioligand.
50009716	1	ChEMBL_64444 (CHEMBL674019)	Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells detected by immunoblotting
50009716	2	ChEMBL_64445 (CHEMBL674020)	Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer by EGFR enzyme prepared from human A431 carcinoma cell vesicles by immunoaffinity chromatography
50009716	3	ChEMBL_65260 (CHEMBL673951)	Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells
50030442	5	ChEMBL_579670 (CHEMBL1064090)	Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay
50030442	1	ChEMBL_579668 (CHEMBL1064088)	Agonist activity at N-terminal HA-tagged GPR109b receptor transfected in forskolin-stimulated cells assessed as cAMP accumulation by flashplate assay
50030446	2	ChEMBL_579817 (CHEMBL1059718)	Inhibition of PDE5
50030447	21	ChEMBL_579880 (CHEMBL1063266)	Inhibition of CYP3A4 in human TC5 cells
50030447	7	ChEMBL_579850 (CHEMBL1062389)	Inhibition of CYP2C19
50030447	13	ChEMBL_579857 (CHEMBL1063243)	Inhibition of CYP3A4 using BFC as substrate
50030447	14	ChEMBL_579851 (CHEMBL1062390)	Inhibition of CYP2D6
50030447	2	ChEMBL_579853 (CHEMBL1063239)	Inhibition of CYP2C9
50030469	2	ChEMBL_582239 (CHEMBL1059899)	Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor
50030469	7	ChEMBL_582240 (CHEMBL1059900)	Antagonist activity at ORL1 receptor by [35S]GTPgammaS binding assay
50030469	8	ChEMBL_582245 (CHEMBL1060813)	Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells
50030472	5	ChEMBL_582387 (CHEMBL1063424)	Allosteric antagonist activity at mGluR1 in Sprague-Dawley rat cerebellar granule cells assessed as accumulation of [3H]inositol phosphate by liquid scintillation counting
50030472	6	ChEMBL_582386 (CHEMBL1063423)	Binding affinity to human GluR1 by FLIPR assay
50030472	2	ChEMBL_582382 (CHEMBL1063419)	Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs by scintillation counting
50030480	1	ChEMBL_582681 (CHEMBL1051055)	Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells
50030480	2	ChEMBL_582682 (CHEMBL1051056)	Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change
50030480	8	ChEMBL_582698 (CHEMBL1051072)	Antagonist activity against human CRTh2 receptor expressed in CHO cells assessed as effect on cAMP accumulation
50030480	23	ChEMBL_582700 (CHEMBL1051797)	Antagonist activity against CRTh2 receptor in human whole blood assessed as eosinophil shape change
50009721	5	ChEMBL_33684 (CHEMBL647841)	In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine
50009721	7	ChEMBL_33223 (CHEMBL643883)	in vitro alpha-2A adrenergic receptor binding assay from rats, using RX 821002 as the displaceable ligand
50009721	6	ChEMBL_33504 (CHEMBL647002)	in vitro alpha-2B adrenergic receptor binding assay from rats, using RX 821002 as the displaceable ligand
50009721	4	ChEMBL_33673 (CHEMBL646814)	in vitro alpha-2C adrenergic receptor binding assay from rats, using RX 821002 as the displaceable ligand
50009721	1	ChEMBL_33672 (CHEMBL649859)	in vitro alpha-2C adrenergic receptor binding assay from rats, using RX 821002 as the displaceable ligand
50023279	1	ChEMBL_527331 (CHEMBL972851)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membrane
50023290	1	ChEMBL_527658 (CHEMBL971259)	Inhibition of human topoisomerase 2
50023291	1	ChEMBL_527659 (CHEMBL971260)	Displacement of [125I]DPCPX from adenosine A1 receptor in rat brain
50023293	1	ChEMBL_527665 (CHEMBL971266)	Inhibition of COX1 in ram seminal vesicle microsomes assessed as reduction of PGE2 formation
50009723	1	ChEBML_49002	Concentration required for the inhibitory activity against human Cell division cycle 25A
50009724	3	ChEBML_195317	Inhibition of [3H]ATRA-Hl60 binding to Retinoic acid receptor alpha
50009724	1	ChEBML_196318	Inhibition of [3H]ATRA-Hl60 binding to Retinoic acid receptor gamma
50009724	2	ChEBML_195807	Inhibition of [3H]-ATRA-Hl60 binding to Retinoic acid receptor beta
50009725	1	ChEBML_196319	Binding affinity against Retinoic acid receptor gamma
50009725	3	ChEBML_195808	Binding affinity for Retinoic acid receptor beta
50009725	2	ChEBML_195318	Binding affinity for Retinoic acid receptor alpha
50030480	16	ChEMBL_582709 (CHEMBL1054971)	Displacement of [3H]PGD2 from mouse CRTh2 receptor expressed in K562 cells
50030491	2	ChEMBL_580959 (CHEMBL1054924)	Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin
50030491	9	ChEMBL_580958 (CHEMBL1054923)	Displacement of [3H]PGD2 from human prostaglandin D2 receptor
50009727	1	ChEBML_211810	Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate
50009728	1	ChEBML_27672	Compound was assessed for in vitro inhibition of Acetylcholinesterase isolated from Electrophorus electricus
50009731	1	ChEBML_49039	Compound was measured for its inhibitory activity against Cell division cycle 25B
50009735	1	ChEBML_72500	Dissociation constant of compound was determined from affinity of compound towards Growth factor receptor bound protein 2 measured by fluorescence
50030502	4	ChEMBL_581439 (CHEMBL1055683)	Antagonist activity at human CCR3 expressed in mouse B300-19 cells by functional inhibition curve analysis
50030504	3	ChEMBL_581472 (CHEMBL1055716)	Inhibition of MMP9
50030504	7	ChEMBL_581474 (CHEMBL1055718)	Inhibition of MMP14
50030504	8	ChEMBL_581473 (CHEMBL1055717)	Inhibition of MMP1
50030504	9	ChEMBL_581475 (CHEMBL1055719)	Inhibition of aggrecanase-1
50030505	1	ChEMBL_581483 (CHEMBL1055727)	Inhibition of ATPase activity of SARS coronavirus helicase assessed as phosphate release by malachite green assay
50030505	3	ChEMBL_581484 (CHEMBL1057306)	Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay
50030511	1	ChEMBL_583044 (CHEMBL1056543)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells
50030511	7	ChEMBL_583045 (CHEMBL1056544)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50009739	1	ChEMBL_220998 (CHEMBL821744)	Binding affinity against oxytocin receptor
50030515	9	ChEMBL_582717 (CHEMBL1054979)	Inhibition of COX1 in human whole blood
50030525	4	ChEMBL_586039 (CHEMBL1063596)	Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by liquid scintillation counting
50009745	4	ChEMBL_30801 (CHEMBL645077)	Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)
50009745	1	ChEMBL_31893 (CHEMBL640310)	Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)
50009745	3	ChEMBL_7178 (CHEMBL620222)	Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)
50030536	7	ChEMBL_583890 (CHEMBL1059942)	Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 treated 1 hr before arachidonic acid challenge by enzyme immunoassay
50009746	3	ChEMBL_30792 (CHEMBL873051)	Inhibitory activity against calf intestinal Adenosine deaminase (ADA)
50030536	4	ChEMBL_583896 (CHEMBL1059948)	Inhibition of COX1 in human whole blood assessed as inhibition of lipopolysaccharide-induced TxB2 production after 30 min by enzyme immunoassay
50030536	5	ChEMBL_583893 (CHEMBL1059945)	Inhibition of human COX1 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay
50030536	6	ChEMBL_583892 (CHEMBL1059944)	Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay
50009746	1	ChEMBL_7177 (CHEMBL620221)	Compound was evaluated for its inhibitory activity against calf intestinal Adenosine deaminase (ADA)
50030536	8	ChEMBL_583889 (CHEMBL1059941)	Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay
50030536	3	ChEMBL_583895 (CHEMBL1059947)	Inhibition of COX2 in human whole blood assessed as inhibition of lipopolysaccharide-stimulated PGE2 production after 24 hrs by enzyme immunoassay
50009747	1	ChEMBL_28867 (CHEMBL644199)	Inhibitory activity against porcine heart or recombinant human E-type AMPDA
50009747	2	ChEMBL_30793 (CHEMBL645069)	Inhibitory activity against calf intestinal Adenosine deaminase (ADA)
50030537	3	ChEMBL_583915 (CHEMBL1059967)	Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay
50030538	3	ChEMBL_584019 (CHEMBL1055899)	Inhibition of ectodomain of BACE1 secreted from HEK393 cells by fluorimetry
50030538	1	ChEMBL_584021 (CHEMBL1055901)	Inhibition of full-domain of BACE1 expressed in HEK393 cells
50030541	2	ChEMBL_584058 (CHEMBL1056681)	Inhibition of PGHS-1 in human platelet rich plasma assessed as inhibition of arachidonic acid-induced platelet aggregation in human platelet rich plasma treated 5 min before arachidonic acid challenge by turbidimetry
50030543	2	ChEMBL_584078 (CHEMBL1058319)	Inhibition of PDE5
50009751	1	ChEMBL_217009 (CHEMBL821544)	Inhibition of c-erbB2 receptor
50030552	3	ChEMBL_584605 (CHEMBL1059106)	Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Swedish mutant sequence Eu-EVNLDAEFK-Quencher substrate by homogeneous time resolved fluorescence assay
50030572	3	ChEMBL_588447 (CHEMBL1040345)	Inhibition of aminopeptidase N in pig kidney microsome by spectrophotometry
50009755	1	ChEMBL_34312 (CHEMBL648097)	In vitro binding affinity using [3H]prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell
50009755	4	ChEMBL_30103 (CHEMBL642030)	In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell
50009755	6	ChEMBL_32731 (CHEMBL646002)	In vitro binding affinity using [3H]prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell
50009755	3	ChEMBL_34033 (CHEMBL646286)	In vitro binding affinity using [3H]prazosin as radioligand against alpha-1A adrenergic receptor
50009755	5	ChEMBL_30097 (CHEMBL873041)	In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A
50009755	2	ChEMBL_30104 (CHEMBL642031)	In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell
50009757	1	ChEMBL_37540 (CHEMBL647622)	Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes
50009757	4	ChEMBL_38610 (CHEMBL652293)	Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes
50030591	3	ChEMBL_587934 (CHEMBL1046607)	Antagonist activity at human LXRbeta expressed in HEK293 cells assessed as inhibition of beta-galactosidase activity by luciferase reporter gene assay
50009760	2	ChEBML_209232	Inhibitory activity against thrombin
50009760	3	ChEBML_48820	Inhibition of human Coagulation factor X
50009760	4	ChEBML_212523	Inhibitory activity against trypsin
50009761	3	ChEBML_214703	In vitro binding affinity to human V2 receptor
50009761	1	ChEBML_226394	In vitro for its binding affinity to rat V2 receptor
50009761	4	ChEBML_214402	In vitro binding affinity to human V1a receptor
50009761	2	ChEBML_214551	In vitro binding affinity for rat V1a receptor
50009761	5	ChEMBL_226394 (CHEMBL846736)	In vitro for its binding affinity to rat V2 receptor
50009764	1	ChEBML_51284	Compound was tested in vitro for its ability to displace [125 I]Tyr-sauvagine from corticotropin-releasing hormone type 1 receptor in rat cerebellum
50030593	3	ChEMBL_588012 (CHEMBL1048347)	Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced pore formation flux by fluorometric assay
50030593	4	ChEMBL_588013 (CHEMBL1048348)	Antagonist activity at human recombinant P2X7 receptor expressed in human THP1 cells assessed as inhibition of BzATP-induced IL1-beta release by enzyme-linked immunosorbent assay
50030593	1	ChEMBL_588010 (CHEMBL1048345)	Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluorometric assay
50030593	5	ChEMBL_588014 (CHEMBL1048349)	Binding affinity at human P2X7 receptor
50030593	9	ChEMBL_588017 (CHEMBL1048352)	Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced pore formation
50030607	12	ChEMBL_591599 (CHEMBL1042352)	Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP9 catalytic domain after 4 hrs by fluorimetry
50030607	13	ChEMBL_591605 (CHEMBL1042358)	Inhibition of human recombinant pro-MMP14 catalytic domain after 4 hrs by fluorimetry
50030607	11	ChEMBL_591610 (CHEMBL1042363)	Inhibition of autoactivated human pro-MMP12 after 1 hr preincubation by fluorimetry
50030607	14	ChEMBL_591598 (CHEMBL1042351)	Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry
50030608	24	ChEMBL_591788 (CHEMBL1038777)	Inhibition of N-terminal GST-tagged CHK1 by [gamma-33-P]ATP based assay
50030608	25	ChEMBL_591611 (CHEMBL1042364)	Inhibition of human recombinant GSK3-beta
50030608	26	ChEMBL_591804 (CHEMBL1041544)	Inhibition of insulin receptor by [gamma-33-P]ATP based assay
50030618	11	ChEMBL_592561 (CHEMBL1046768)	Inhibition of EphB4 by [gamma33-P]ATP based assay
50030618	13	ChEMBL_592563 (CHEMBL1046770)	Inhibition of EphA1 by [gamma33-P]ATP based assay
50030618	14	ChEMBL_592560 (CHEMBL1046767)	Inhibition of EphB4 assessed as blockade of synthetic substrate phosphorylation by FRET assay
50030619	2	ChEMBL_589296 (CHEMBL1045676)	Inhibition of human recombinant BACE1 by FRET assay
50030624	5	ChEMBL_589795 (CHEMBL1051418)	Binding affinity to delta opioid receptor
50030630	3	ChEMBL_590499 (CHEMBL1058546)	Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor
50030630	5	ChEMBL_590504 (CHEMBL1058551)	Agonist activity at human delta opioid receptor by GTP[gamma]35S binding assay
50009881	5	ChEMBL_2250 (CHEMBL617195)	Binding affinity towards 5-hydroxytryptamine 2 receptor
50009770	6	ChEMBL_48807 (CHEMBL662832)	In vitro inhibitory activity against human Coagulation factor X
50009881	4	ChEMBL_32562 (CHEMBL645696)	Binding affinity towards Alpha-1 adrenergic receptor
50009774	1	ChEBML_49274	Compound was tested ex vivo for inhibition against purified choline kinase obtained from yeast
50009778	1	ChEBML_214705	Displacement of [3H]AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes
50009780	1	ChEBML_201826	Binding affinity on Serotonin transporter was determined in rat
50009781	1	ChEBML_99644	Compound was tested for inhibition against binding of radioligand [3H]LTB4 to Leukotriene B4 receptor in human neutrophil membranes
50030635	9	ChEMBL_590758 (CHEMBL1050900)	Inhibition of PTPRB
50030648	5	ChEMBL_592396 (CHEMBL1036969)	Inhibition of human ROCK2
50030649	6	ChEMBL_592404 (CHEMBL1036977)	Inhibition of human placental 17betaHSD1 by radiodetection assay
50030653	5	ChEMBL_588649 (CHEMBL1056059)	Inhibition of human recombinant PDE3A by fluorescence polarization assay using cGMP as substrate
50030658	2	ChEMBL_588897 (CHEMBL1061221)	Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting
50030658	6	ChEMBL_588903 (CHEMBL1061227)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50023305	2	ChEMBL_527724 (CHEMBL975083)	Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane
50023305	1	ChEMBL_528001 (CHEMBL978742)	Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane
50030658	3	ChEMBL_588898 (CHEMBL1061222)	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting
50030658	7	ChEMBL_588902 (CHEMBL1061226)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50030661	3	ChEMBL_589173 (CHEMBL1040324)	Inhibition of human lysosomal alpha glucosidase
50030665	1	ChEMBL_589609 (CHEMBL1052162)	Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase reporter assay
50030665	4	ChEMBL_589613 (CHEMBL1052166)	Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs
50030670	3	ChEMBL_590086 (CHEMBL1044765)	Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation
50030675	12	ChEMBL_593059 (CHEMBL1039575)	Inhibition of Cav1.2 expressed in CHO cells by patch-clamp technique
50030678	25	ChEMBL_593157 (CHEMBL1044071)	Inhibition of Ret
50030678	26	ChEMBL_593149 (CHEMBL1044063)	Inhibition of Flt4
50030678	27	ChEMBL_593168 (CHEMBL1044923)	Inhibition of PKCalpha
50030678	28	ChEMBL_593162 (CHEMBL1044076)	Inhibition of Src
50030678	29	ChEMBL_593164 (CHEMBL1044078)	Inhibition of Aurora B
50030678	30	ChEMBL_593161 (CHEMBL1044075)	Inhibition of Abl1
50030678	24	ChEMBL_593146 (CHEMBL1044060)	Inhibition of Her4
50030678	31	ChEMBL_593160 (CHEMBL1044074)	Inhibition of Lck
50030679	5	ChEMBL_593238 (CHEMBL1047554)	Inhibition of GLP by Thioglo assay
50030679	1	ChEMBL_593244 (CHEMBL1047560)	Inhibition of G9a
50030679	8	ChEMBL_593231 (CHEMBL1046738)	Inhibition of G9a by Thioglo assay
50009788	1	ChEMBL_159607 (CHEMBL760089)	Compound was tested for its inhibitory activity against recombinant human Prostaglandin G/H synthase 2
50030679	3	ChEMBL_593233 (CHEMBL1046740)	Inhibition of G9a by Alpha screen assay
50030679	6	ChEMBL_593239 (CHEMBL1047555)	Inhibition of GLP by Alpha screen assay
50030679	9	ChEMBL_593234 (CHEMBL1047550)	Inhibition of GLP
50030692	2	ChEMBL_594469 (CHEMBL1041518)	Inhibition of human brain BACE1 expressed in Escherichia coli BL21(DE) by TRF assay
50030699	1	ChEMBL_592902 (CHEMBL1048405)	Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50030699	4	ChEMBL_592910 (CHEMBL1048413)	Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50030699	2	ChEMBL_592904 (CHEMBL1048407)	Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50009790	3	ChEMBL_76921 (CHEMBL688665)	Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14
50030699	7	ChEMBL_592909 (CHEMBL1048412)	Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50030699	3	ChEMBL_592908 (CHEMBL1048411)	Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50009791	2	ChEMBL_123446 (CHEMBL731837)	Inhibitory activity against Monoamine oxidase A
50009791	1	ChEMBL_124404 (CHEMBL878130)	Inhibitory activity against Monoamine oxidase B
50030699	5	ChEMBL_592905 (CHEMBL1048408)	Noncompetitive type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50030700	2	ChEMBL_592913 (CHEMBL1048416)	Inhibition of BACE1 mediated human Swedish amyloid precursor protein peptide hydrolysis by HTRF assay
50030700	5	ChEMBL_592911 (CHEMBL1048414)	Inhibition of BACE1 by fragment-based NMR screening method
50030700	3	ChEMBL_592915 (CHEMBL1048418)	Inhibition of BACE1 mediated hydrolysis of human amyloid precursor protein with Swedish and London mutation in HEK293 cells by ELISA
50030701	2	ChEMBL_592922 (CHEMBL1048425)	Inhibition of BACE1 by HTRF assay
50030701	3	ChEMBL_592921 (CHEMBL1048424)	Binding affinity to BACE1 by fragment-based NMR screening assay
50030707	7	ChEMBL_591213 (CHEMBL1058519)	Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting
50030708	4	ChEMBL_591228 (CHEMBL1056133)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells
50009796	2	ChEMBL_205565 (CHEMBL807898)	SP-induced [Ca2+] mobilization in CHO cells expressing human Tachykinin receptor 1
50009796	1	ChEMBL_216194 (CHEMBL818921)	Agonist activity at bfSPR to produce increase in intracellular [Ca2+]
50030709	7	ChEMBL_591236 (CHEMBL1056141)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by liquid scintillation counting
50030709	6	ChEMBL_591244 (CHEMBL1056149)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50030709	4	ChEMBL_591240 (CHEMBL1056145)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50030709	5	ChEMBL_591242 (CHEMBL1056147)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50030709	8	ChEMBL_591235 (CHEMBL1056140)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030709	9	ChEMBL_591237 (CHEMBL1056142)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030711	2	ChEMBL_591954 (CHEMBL1047517)	Inhibition of pig kidney microsomes aminopeptidase N preincubated for 30 mins
50030714	4	ChEMBL_591965 (CHEMBL1047528)	Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50030715	8	ChEMBL_592000 (CHEMBL1050115)	Inhibition of human recombinant N-terminal FLAG-tagged HDAC5 (620-1122) expressed in baculovirus after 10 mins by fluorimetric analysis
50030722	11	ChEMBL_592276 (CHEMBL1045850)	Inhibition of human recombinant MMP1
50030722	12	ChEMBL_592275 (CHEMBL1045849)	Inhibition of human recombinant MMP3
50030722	13	ChEMBL_592274 (CHEMBL1045848)	Inhibition of human recombinant MMP7
50030722	14	ChEMBL_592287 (CHEMBL1045861)	Inhibition of human recombinant TACE
50030722	15	ChEMBL_592286 (CHEMBL1045860)	Inhibition of human recombinant MMP14
50030722	16	ChEMBL_592288 (CHEMBL1045862)	Inhibition of human recombinant ACE
50030722	17	ChEMBL_592282 (CHEMBL1045856)	Inhibition of human recombinant MMP9
50030722	18	ChEMBL_592285 (CHEMBL1045859)	Inhibition of human recombinant MMP13
50030722	19	ChEMBL_592283 (CHEMBL1045857)	Inhibition of human recombinant MMP12
50030727	3	ChEMBL_588744 (CHEMBL1053691)	Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay
50030729	4	ChEMBL_588778 (CHEMBL1054464)	Agonist activity at human LXRbeta assessed as association of SRC1 to LXRbeta ligand binding domain by FRET based cell-free ligand sensing assay
50030737	11	ChEMBL_589693 (CHEMBL1057698)	Binding affinity to FLT4
50030739	6	ChEMBL_589762 (CHEMBL1061266)	Inhibition of human cathepsin D by FRET
50030739	4	ChEMBL_589760 (CHEMBL1061264)	Inhibition of human BACE1 by FRET
50030739	7	ChEMBL_589763 (CHEMBL1061267)	Inhibition of BACE1 expressed in CHO cells co-expressing human wild type APP protein by ELISA
50030740	4	ChEMBL_589950 (CHEMBL1050858)	Inhibition of rat recombinant TrxR1 after 10 mins
50030748	5	ChEMBL_599194 (CHEMBL1049837)	Inhibition of COX1-mediated PGH2 production by enzyme immunoassay
50030759	19	ChEMBL_597959 (CHEMBL1042744)	Inhibition of PDE5
50030759	20	ChEMBL_597975 (CHEMBL1045406)	Inhibition of PDE11
50030759	21	ChEMBL_597983 (CHEMBL1045414)	Inhibition of PDE4B
50030768	4	ChEMBL_598368 (CHEMBL1037272)	Inhibition of human CARM1 assessed as inhibition of histone3 methylation
50030768	5	ChEMBL_598372 (CHEMBL1037276)	Inhibition of PRMT3
50030769	1	ChEMBL_598541 (CHEMBL1043533)	Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR
50030769	13	ChEMBL_598546 (CHEMBL1043538)	Inhibition of delta-type opioid receptor
50030769	14	ChEMBL_598538 (CHEMBL1043530)	Displacement of [125I]MCH from human recombinant MCH1R expressed on CHOK1 cell membrane
50030775	2	ChEMBL_598828 (CHEMBL1044660)	Inhibition of BACE-1
50030778	3	ChEMBL_599080 (CHEMBL1044606)	Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level
50009801	2	ChEMBL_68625 (CHEMBL680675)	Inhibition of farnesyltransferase by Ras/SPA assay
50009801	1	ChEMBL_68511 (CHEMBL676935)	Inhibition of Farnesyltransferase
50030781	8	ChEMBL_599285 (CHEMBL1041013)	Inhibition of beta2 adrenergic receptor
50030794	6	ChEMBL_600490 (CHEMBL1046437)	Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay
50030794	3	ChEMBL_600496 (CHEMBL1046443)	Displacement of [3H]quisqualate from human mGluR1 quisqualic acid binding site
50030795	2	ChEMBL_600508 (CHEMBL1048220)	Inhibition of human Nav1.7 channel expressed in HEK cells by FRET assay
50009805	4	ChEMBL_105807 (CHEMBL718141)	Inhibitory activity against the Matrix Metalloprotease-8
50009805	2	ChEMBL_106145 (CHEMBL718692)	Inhibitory activity against the Matrix Metalloprotease 1 (MMP-1)
50030802	11	ChEMBL_600776 (CHEMBL1037488)	Inhibition of PKCeta by IMAP kinase assay
50009805	1	ChEMBL_104538 (CHEMBL718925)	Inhibitory activity against the Matrix Metalloprotease 2 (MMP-2)
50030804	2	ChEMBL_597903 (CHEMBL1042688)	Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay
50030808	7	ChEMBL_598101 (CHEMBL1038283)	Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50030808	4	ChEMBL_598189 (CHEMBL1045183)	Antagonist activity at human mGluR1 receptor quisqualic acid binding site expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50030835	4	ChEMBL_597412 (CHEMBL1039898)	Inhibition of mouse recombinant PI3Kalpha expressed in baculovirus-infected Sf21 cells
50030841	2	ChEMBL_597625 (CHEMBL1039077)	Inhibition of human liver FBPase
50030842	11	ChEMBL_597638 (CHEMBL1039090)	Inhibition of PKCeta by IMAP kinase assay
50030850	5	ChEMBL_595271 (CHEMBL1043623)	Agonist activity at human delta opioid receptor by [35S]GTPgammaS binding assay
50030850	3	ChEMBL_595266 (CHEMBL1043618)	Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor
50030851	2	ChEMBL_595285 (CHEMBL1046312)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation at 10 uM
50009808	3	ChEMBL_143317 (CHEMBL753019)	In vitro inhibition of NMDA responses at NR1A/2A receptor expressed in Xenopus oocytes
50009808	2	ChEMBL_143326 (CHEMBL752244)	In vitro inhibition of NMDA responses at NR1A/2B receptor expressed in Xenopus oocytes
50009808	1	ChEMBL_143335 (CHEMBL752252)	In vitro inhibition of NMDA responses at NR1A/2C receptor expressed in Xenopus oocytes
50009809	1	ChEMBL_2606 (CHEMBL617474)	Affinity 5-hydroxytryptamine 2A receptor of the rat brain cortex was assessed on the basis of their ability to displace [3H]ketanserin
50009809	2	ChEMBL_2607 (CHEMBL617475)	Affinity at 5-hydroxytryptamine 2A receptor of the rat brain cortex was assessed on the basis of their ability to displace [3H]ketanserin
50009810	1	ChEMBL_209994 (CHEMBL811641)	Affinity towards RFC (Reduced folate carrier) measured by the inhibition of [3H]MTX uptake
50030868	8	ChEMBL_597275 (CHEMBL1043452)	Inhibition of JAK2 using 5 mM ATP as a substrate
50030868	9	ChEMBL_597276 (CHEMBL1043453)	Inhibition of JAK3 using 5 mM ATP as a substrate
50030868	10	ChEMBL_597272 (CHEMBL1043449)	Inhibition of Aurora B
50030868	5	ChEMBL_597274 (CHEMBL1043451)	Inhibition of JAK2 using 2 mM ATP as a substrate
50009814	13	ChEMBL_90440 (CHEMBL698072)	Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]kainate as radioligand
50009814	7	ChEMBL_90582 (CHEMBL701166)	Binding affinity against human ionotropic glutamate receptor ionotropic kainate 2 in HEK293 cells using [3H]kainate as radioligand
50009814	6	ChEMBL_90459 (CHEMBL699994)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]AMPA as radioligand; value according to table 1
50009814	16	ChEMBL_90143 (CHEMBL701241)	Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 1 in HEK293 cells using [3H]-AMPA as radioligand
50009814	22	ChEMBL_90434 (CHEMBL697423)	Effective concentration required for evoking response in HEK293 cell
50009814	23	ChEMBL_90154 (CHEMBL696976)	Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 2 in HK293 cells using [3H]AMPA as radioligand
50009814	19	ChEMBL_90601 (CHEMBL701557)	Ability to bind to Ionotropic glutamate receptor kainate (kainate 2) was evaluated.
50009814	24	ChEMBL_90452 (CHEMBL884244)	Effective concentration against human GluR6 expressed in HEK293 cells
50009814	21	ChEMBL_90433 (CHEMBL697422)	Effective concentration against GluR5 expressed in HEK293 cells
50009814	10	ChEMBL_90439 (CHEMBL698071)	Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]kainate as radioligand; value according to table 4
50009814	20	ChEMBL_90432 (CHEMBL697421)	Effective concentration required for evoking response in HEK293 cell
50009814	18	ChEMBL_90602 (CHEMBL701558)	Compound was tested for binding affinity against Ionotropic glutamate receptor kainate (KA2) in HK293 cells
50009814	25	ChEMBL_90457 (CHEMBL699992)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HEK293 cells using [3H]-kainate as radioligand
50009814	3	ChEMBL_90303 (CHEMBL696662)	Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 4 in HEK293 cells using [3H]AMPA as radioligand
50009814	1	ChEMBL_90292 (CHEMBL697511)	Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 3 in HK293 cells using [3H]AMPA as radioligand
50009814	15	ChEMBL_90597 (CHEMBL701553)	Ability to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated
50009814	14	ChEMBL_220869 (CHEMBL822981)	Effective concentration required for evoking response in HEK293 cell
50009814	9	ChEMBL_90458 (CHEMBL699993)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]AMPA as radioligand
50009814	17	ChEMBL_90599 (CHEMBL701555)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 3 in HEK293 cells using [3H]kainate as radioligand
50009814	4	ChEMBL_90584 (CHEMBL701168)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]kainate as radioligand; value given as 15406, 12040 according to table 4
50009814	12	ChEMBL_90586 (CHEMBL701170)	compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]kainate as radioligand
50009814	11	ChEMBL_90438 (CHEMBL698070)	Compound was tested for binding affinity against Ionotropic glutamate receptor ionotropic kainate 1 in HK293 cells using [3H]kainate as radioligand; value according to table 1
50009814	2	ChEMBL_90581 (CHEMBL701165)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]AMPA as radioligand; value is given as 4649, 3069 according to table 4
50009814	8	ChEMBL_90583 (CHEMBL701167)	Compound was tested for binding affinity against human Ionotropic glutamate receptor ionotropic kainate 2 in HK293 cells using [3H]kainate as radioligand; value according to table 4
50030894	4	ChEMBL_596275 (CHEMBL1050691)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50009819	2	ChEMBL_90555 (CHEMBL699597)	Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro 
50009819	3	ChEMBL_90556 (CHEMBL699598)	Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor
50009819	1	ChEMBL_90557 (CHEMBL702247)	Inhibition of strand -transfer (ST) activity in the presence of Mn2+
50009821	5	ChEMBL_39480 (CHEMBL650590)	Inhibitory effect on the binding of [125I]- eotaxin to C-C chemokine receptor type 3- expressing CHO cells
50009821	4	ChEMBL_39630 (CHEMBL649937)	Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]RANTES
50009821	3	ChEMBL_41893 (CHEMBL655686)	Inhibitory effect on the binding of [125I]- MCP-1 to C-C chemokine receptor type 2-expressing CHO cells
50009821	2	ChEMBL_41748 (CHEMBL650849)	Inhibitory effect on the binding of [125I]RANTES to C-C chemokine receptor type 1-expressing CHO cells
50009821	1	ChEMBL_39494 (CHEMBL656319)	Inhibitory effect on the binding of [125I]TARC to C-C chemokine receptor type 4-expressing CHO cells
50030898	4	ChEMBL_597057 (CHEMBL1044552)	Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA
50030898	6	ChEMBL_597054 (CHEMBL1044549)	Inhibition of human BACE1 by FRET based peptide cleavage assay
50030898	7	ChEMBL_597056 (CHEMBL1044551)	Inhibition of human cathepsin D by FRET based peptide cleavage assay
50030898	8	ChEMBL_597055 (CHEMBL1044550)	Inhibition of human BACE2 by FRET based peptide cleavage assay
50030910	7	ChEMBL_594980 (CHEMBL1039838)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate
50030910	8	ChEMBL_594974 (CHEMBL1038965)	Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells
50030910	9	ChEMBL_594976 (CHEMBL1038967)	Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells
50030910	10	ChEMBL_594975 (CHEMBL1038966)	Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells
50009828	4	ChEMBL_148995 (CHEMBL757979)	Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (2)
50009828	5	ChEMBL_148996 (CHEMBL757980)	Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (3)
50009828	1	ChEMBL_147040 (CHEMBL753343)	Binding affinity towards Opioid receptor delta 1 was determined in rat brain homogenate using [3H]deltorphin II as radioligand
50009828	3	ChEMBL_148997 (CHEMBL757981)	Inhibition of [3H]DAMGO binding to rat brain homogenat Opioid receptor mu 1
50009828	2	ChEMBL_146520 (CHEMBL754628)	Binding affinity towards Opioid receptor kappa 1 was determined in guinea pig homogenate using [3H]U-69593 as radioligand
50030910	6	ChEMBL_594991 (CHEMBL1039849)	Binding affinity to human delta opioid receptor expressed in CHO cells
50030911	6	ChEMBL_595157 (CHEMBL1037322)	Inhibition of human liver FBPase 1
50009834	11	ChEMBL_33612 (CHEMBL652819)	Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand
50009834	1	ChEMBL_34335 (CHEMBL648995)	Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand
50009834	7	ChEMBL_32438 (CHEMBL646099)	Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand
50009834	14	ChEMBL_33067 (CHEMBL647966)	Binding affinity towards recombinant human alpha-2A adrenergic receptor was determined using [3H]MK-912 as radioligand
50009834	2	ChEMBL_61811 (CHEMBL672575)	Binding affinity towards recombinant human Dopamine receptor D2S was determined using [3H]spiperone as radioligand
50009834	10	ChEMBL_3691 (CHEMBL872930)	Binding affinity towards recombinant human 5-hydroxytryptamine 7 receptor was determined using [3H]LSD as radioligand
50009834	12	ChEMBL_62264 (CHEMBL675666)	Binding affinity towards recombinant human Dopamine receptor D3 was determined using [3H]spiperone as radioligand
50009834	13	ChEMBL_33500 (CHEMBL646999)	Binding affinity towards rat alpha-2B adrenergic receptor was determined using [3H]yohimbine as radioligand
50009834	8	ChEMBL_914 (CHEMBL615762)	Binding affinity towards recombinant human 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand
50009834	15	ChEMBL_83923 (CHEMBL874138)	Binding affinity towards histamine H1 receptor was determined in guinea pig brain using [3H]pyrilamine as radioligand
50009834	4	ChEMBL_61615 (CHEMBL672912)	Binding affinity towards recombinant human Dopamine receptor D2L was determined using [3H]spiperone as radioligand
50009834	9	ChEMBL_915 (CHEMBL615763)	Binding affinity towards recombinant human Compound at 1 uM was tested for the inhibition of radioligand [3H]8-OH-DPAT binding to recombinant human 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand
50030918	3	ChEMBL_601359 (CHEMBL1045996)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells
50030918	4	ChEMBL_601358 (CHEMBL1045995)	Agonist activity at human P2Y14 receptor expressed in human COS7 cells
50030922	40	ChEMBL_601706 (CHEMBL1050441)	Inhibition of beta2 adrenergic receptor
50030922	41	ChEMBL_601703 (CHEMBL1050438)	Inhibition of alpha2B adrenergic receptor
50030934	4	ChEMBL_605393 (CHEMBL1073387)	Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay
50030934	14	ChEMBL_605389 (CHEMBL1073383)	Inhibition of VEGFR3 by microplate scintillation counting
50030934	15	ChEMBL_605394 (CHEMBL1073388)	Inhibition of TIE2 in human HCT116 cells by cellular phosphorylation assay
50030934	16	ChEMBL_605383 (CHEMBL1073377)	Inhibition of Aurora-B by microplate scintillation counting
50030934	1	ChEMBL_605390 (CHEMBL1073384)	Inhibition of Aurora-B in human HCT116 cells by cellular proliferation assay
50030934	2	ChEMBL_605391 (CHEMBL1073385)	Inhibition of EGFR in human HCT116 cells by cellular phosphorylation assay
50030934	17	ChEMBL_605384 (CHEMBL1073378)	Inhibition of wild type EGF-R by microplate scintillation counting
50030934	3	ChEMBL_605392 (CHEMBL1073386)	Inhibition of PDGFRbeta in human HCT116 cells by cellular phosphorylation assay
50030934	8	ChEMBL_605386 (CHEMBL1073380)	Inhibition of TIE2 by microplate scintillation counting
50009838	1	ChEMBL_31844 (CHEMBL641521)	Binding affinity by its ability to displace [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells
50009838	2	ChEMBL_29302 (CHEMBL640363)	Displacement of [3H]DPCPX from adenosine A1 receptor of rat brain cortical membrane
50030957	9	ChEMBL_603840 (CHEMBL1046457)	Agonist activity at rat mu opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS binding
50030957	10	ChEMBL_603836 (CHEMBL1045631)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membranes
50030957	4	ChEMBL_603834 (CHEMBL1045629)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells
50030957	11	ChEMBL_603838 (CHEMBL1045633)	Agonist activity at human delta opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS binding
50030957	3	ChEMBL_603835 (CHEMBL1045630)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells
50030957	12	ChEMBL_603837 (CHEMBL1045632)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membranes
50030965	2	ChEMBL_605809 (CHEMBL1064621)	Inhibition of mouse brain MAOB
50009844	2	ChEMBL_43842 (CHEMBL658504)	Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human
50030971	3	ChEMBL_603940 (CHEMBL1043293)	Displacement of [3H]prazosin from human adrenergic beta2 receptor expressed in CHO cell membrane
50030983	12	ChEMBL_605915 (CHEMBL1068532)	Inhibition of human HDAC5
50030996	77	ChEMBL_606919 (CHEMBL1072662)	Inhibition of CTAK1
50030996	78	ChEMBL_606915 (CHEMBL1072658)	Inhibition of PKCeta
50030996	79	ChEMBL_606942 (CHEMBL1072685)	Inhibition of CHK1
50030996	80	ChEMBL_606911 (CHEMBL1072654)	Inhibition of IKK1
50030996	81	ChEMBL_606926 (CHEMBL1072669)	Inhibition of ROCK2
50030996	82	ChEMBL_606934 (CHEMBL1072677)	Inhibition of PKD2
50030996	83	ChEMBL_606921 (CHEMBL1072664)	Inhibition of CDC2
50030996	84	ChEMBL_606950 (CHEMBL1073277)	Inhibition of AuroraB
50030996	76	ChEMBL_606920 (CHEMBL1072663)	Inhibition of CDK5/P25
50030996	85	ChEMBL_606954 (CHEMBL1073281)	Inhibition of FLT4
50030997	2	ChEMBL_602838 (CHEMBL1065282)	Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation
50030997	1	ChEMBL_602837 (CHEMBL1065281)	Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration
50030997	8	ChEMBL_602842 (CHEMBL1065286)	Displacement of [3H]ABP688 from human recombinant mGluR5 expressed in CHO cells
50030997	9	ChEMBL_603010 (CHEMBL1045613)	Inhibition of human mGluR1
50030998	3	ChEMBL_603037 (CHEMBL1047698)	Displacement of [3H]T0901317 from human recombinant LXRbeta-LBD
50030999	1	ChEMBL_603046 (CHEMBL1047707)	Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay
50030999	4	ChEMBL_603045 (CHEMBL1047706)	Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining
50030999	5	ChEMBL_603047 (CHEMBL1047708)	Inhibition of MRP1 assessed as calcein AM accumulation by fluorescence assay
50009860	3	ChEBML_209048	The compound was tested for its ability to inhibit thrombin.
50009862	2	ChEMBL_144491 (CHEMBL754797)	The compound was tested for competitive antagonist of Nitric oxide synthase
50009862	1	ChEBML_144491	The compound was tested for competitive antagonist of Nitric oxide synthase
50031003	11	ChEMBL_603260 (CHEMBL1049484)	Inhibition of PKCalpha
50031007	3	ChEMBL_603295 (CHEMBL1049519)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count
50031007	2	ChEMBL_603296 (CHEMBL1049520)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count
50031021	5	ChEMBL_603776 (CHEMBL1042914)	Inhibition of human BACE1 by FRET assay
50009865	2	ChEBML_1153	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus membranes
50031024	2	ChEMBL_604017 (CHEMBL1049545)	Displacement of [3H]TO901317 from human recombinant LXRbeta expressed in Escherichia coli by flashplate method
50031024	5	ChEMBL_604021 (CHEMBL1049549)	Agonist activity at human LXRalpha ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay
50009866	2	ChEBML_34332	Binding affinity for human Alpha-1B adrenergic receptor expressed in COS cell membranes
50009866	1	ChEBML_33610	Binding affinity for human Alpha-1A adrenergic receptor expressed in COS cell membranes
50009866	3	ChEBML_32434	Binding affinity for human Alpha-1D adrenergic receptor expressed in COS cell membranes
50009868	2	ChEBML_148989	Binding affinity by inhibition of [3H]DAMGO binding to Opioid receptor mu 1 from rat brain membranes
50009868	1	ChEBML_147034	Inhibition of [3H]DPDPE radioligand binding to rat opioid receptor delta 1 site from rat brain membranes
50031024	6	ChEMBL_604020 (CHEMBL1049548)	Agonist activity at human LXRbeta ligand binding domain expressed in human HuH7 cells co-transfected with Gal4-DBD by transactivation assay
50031024	1	ChEMBL_604018 (CHEMBL1049546)	Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method
50031027	5	ChEMBL_604244 (CHEMBL1050389)	Inhibition of BACE1 expressed in APP-overexpressing CHO cells
50031027	1	ChEMBL_604240 (CHEMBL1050385)	Inhibition of human recombinant BACE1 expressed in Escherichia coli
50031030	4	ChEMBL_604515 (CHEMBL1074685)	Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate
50031030	2	ChEMBL_604514 (CHEMBL1074684)	Inhibition of FBPase in human liver
50031032	6	ChEMBL_604556 (CHEMBL1074728)	Inhibition of mouse brain MAOB
50031037	9	ChEMBL_604749 (CHEMBL1072543)	Antagonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation after 10 mins by FLIPR assay
50031037	3	ChEMBL_604758 (CHEMBL1072552)	Agonist activity at human C5a receptor expressed in CHO cells co-expressed with Galpha16 assessed as effect on anaphylatoxin C5a-induced intracellular calcium accumulation after 10 mins by FLIPR assay
50031037	10	ChEMBL_604757 (CHEMBL1072551)	Inhibition of human P2Y2 receptor expressed in CHO cells
50031037	2	ChEMBL_604750 (CHEMBL1072544)	Displacement of [125I]human anaphylatoxin C5a from human C5a receptor expressed in CHO cells co-expressed with Galpha16 after 1 hr
50031037	4	ChEMBL_604751 (CHEMBL1072545)	Antagonist activity at C5a receptor in human PMNC assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation after 10 mins by FLIPR assay
50031043	19	ChEMBL_605071 (CHEMBL1071933)	Inhibition of human recombinant MMP13 catalytic domain
50031043	20	ChEMBL_605229 (CHEMBL1069309)	Inhibition of MMP9
50031043	21	ChEMBL_605241 (CHEMBL1069321)	Inhibition of ADAMTS5
50031043	22	ChEMBL_605240 (CHEMBL1069320)	Inhibition of ADAMTS4
50031043	23	ChEMBL_605230 (CHEMBL1069310)	Inhibition of MMP14
50031052	3	ChEMBL_605983 (CHEMBL1069927)	Displacement of [3H]T0901317 from human recombinant LXRbeta LBD
50023328	1	ChEMBL_528388 (CHEMBL974176)	Displacement of [125I]IL8 from human recombinant IL8 type A receptor
50009875	2	ChEMBL_547 (CHEMBL615567)	Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method
50009875	1	ChEBML_547	Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method
50031058	2	ChEMBL_606745 (CHEMBL1065335)	Inhibition of human recombinant PTPbeta
50031060	1	ChEMBL_607020 (CHEMBL1074648)	Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation
50009876	3	ChEBML_47848	Inhibition of Class C beta-lactamase from Enterobacter cloacae strain P99
50031060	7	ChEMBL_607019 (CHEMBL1074647)	Inhibition of human PARP1 by scintillation proximity assay
50009877	3	ChEBML_47843	Inhibition of class A beta-lactamase derived from Staphylococcus aureus strain PC1
50009877	5	ChEBML_47837	Inhibition of class A TEM-1 beta-lactamase derived from Enterobacter cloacae
50009877	6	ChEMBL_47849 (CHEMBL660937)	The compound was evaluated for inhibition against Class C beta-lactamase derived from Enterobacter cloacae P99
50009881	2	ChEBML_59636	Binding affinity towards Dopamine receptor D2
50009881	3	ChEBML_1462	Binding affinity towards 5-hydroxytryptamine 1A receptor
50031061	5	ChEMBL_607037 (CHEMBL1074665)	Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting
50031061	3	ChEMBL_607041 (CHEMBL1074669)	Antagonist activity at delta opioid receptor by GTPgammaS bunding assay
50009884	1	ChEBML_65626	Tested for binding affinity towards human Endothelin A receptor
50009886	2	ChEBML_1733	Binding affinity for human 5-hydroxytryptamine 1D receptor
50009886	1	ChEBML_1361	Binding affinity for human 5-hydroxytryptamine 1B receptor
50031078	2	ChEMBL_610953 (CHEMBL1070284)	Inhibition of JMJD2A by MALDI-TOF assay
50009887	8	ChEMBL_2944 (CHEMBL617884)	Functional agonist activity of compound was determined by fluorescence-based assay measuring intracellular calcium mobilization for 5-HT2c receptor cell line
50009887	7	ChEMBL_2307 (CHEMBL617514)	In vitro binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK293 cells was determined using [3H]ketanserin as radioligand
50009888	3	ChEBML_162122	Tested for binding affinity towards Protein-tyrosine Phosphatase 1B
50009888	2	ChEMBL_72496 (CHEMBL683674)	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in plasmon resonance assay
50009888	1	ChEBML_72495	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA
50009888	4	ChEMBL_72497 (CHEMBL683931)	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in plasmon resonance assay
50031084	24	ChEMBL_611572 (CHEMBL1066416)	Inhibition of recombinant PKCalpha by IMAP assay
50009891	4	ChEBML_226355	Tested in vitro for inhibition of serine/threonine kinase Cdc2
50009891	3	ChEBML_64437	Tested for inhibition of EGF-receptor tyrosine kinase in intact cells
50031084	25	ChEMBL_611550 (CHEMBL1066394)	Inhibition of recombinant KDR by TR-FRET assay
50009891	9	ChEBML_217001	Tested for inhibition of protein tyrosine kinase c-Src phosphorylation in intact cells
50009891	6	ChEMBL_216859 (CHEMBL816696)	Tested for inhibition of protein tyrosine kinase c-Src phosphorylation
50009891	2	ChEBML_92563	Tested in vitro for inhibition of KDR-receptor tyrosine kinase
50031084	26	ChEMBL_611549 (CHEMBL1066393)	Inhibition of recombinant c-Met by TR-FRET assay
50009891	1	ChEBML_225999	Tested for inhibition of protein tyrosine kinase Csk phosphorylation in intact cells
50009891	13	ChEMBL_64440 (CHEMBL674015)	Tested in vitro for inhibition of EGF-receptor tyrosine kinase
50031084	27	ChEMBL_611564 (CHEMBL1066408)	Inhibition of recombinant InsR by TR-FRET assay
50009891	7	ChEBML_216848	Inhibition of protein tyrosine kinase c-Src
50009892	2	ChEBML_48301	In vitro inhibition of human Coagulation factor II.
50009892	3	ChEBML_48830	In vitro inhibition of human Coagulation factor X.
50009892	4	ChEBML_212535	In vitro inhibition of bovine trypsin.
50009892	1	ChEMBL_48814 (CHEMBL662837)	Inhibitory activity against human Coagulation factor X
50009893	1	ChEBML_48302	In vitro inhibitory activity against human coagulation factor II
50009893	2	ChEBML_48831	In vitro inhibitory activity against human Coagulation factor X
50031084	28	ChEMBL_611551 (CHEMBL1066395)	Inhibition of recombinant Src by TR-FRET assay
50031084	29	ChEMBL_611554 (CHEMBL1066398)	Inhibition of recombinant RON by TR-FRET assay
50031090	3	ChEMBL_611947 (CHEMBL1071508)	Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation
50031090	4	ChEMBL_611945 (CHEMBL1071506)	Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation
50031095	5	ChEMBL_609005 (CHEMBL1073147)	Inhibition of Aurora 2 kinase
50031111	5	ChEMBL_610618 (CHEMBL1069632)	Inhibition of InsR
50031114	3	ChEMBL_610637 (CHEMBL1069651)	Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay
50009896	2	ChEBML_72327	The compound was tested for it's inhibitory activity against Onchocerca volvulus Glutathione S-transferase 2
50009896	1	ChEBML_72450	Inhibitory activity against human Glutathione S-transferase P
50009897	2	ChEBML_207872	The compound was tested in vitro for its inhibitory activity against human t-PA enzyme, activity expressed as IC50
50009897	1	ChEBML_212977	The compound was tested in vitro for its inhibitory activity against human urokinase enzyme, activity expressed as IC50
50009897	3	ChEBML_155082	The compound was tested in vitro for its inhibitory activity against human Plasmin enzyme, activity expressed as IC50
50018115	6	ChEMBL_2264663	Inhibition of CDK2 (unknown origin)
50031116	5	ChEMBL_610680 (CHEMBL1072341)	Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay
50031123	50	ChEMBL_611982 (CHEMBL1072189)	Inhibition of ALK
50031123	51	ChEMBL_611984 (CHEMBL1072191)	Inhibition of Aurora B
50031123	52	ChEMBL_611988 (CHEMBL1072195)	Inhibition of CHK1
50031123	49	ChEMBL_611970 (CHEMBL1072177)	Inhibition of CDK2/Cyclin A
50031123	53	ChEMBL_612025 (CHEMBL1072232)	Inhibition of VEGFR3
50031123	47	ChEMBL_611975 (CHEMBL1072182)	Inhibition of CDK1/Cyclin B
50031123	45	ChEMBL_611977 (CHEMBL1072184)	Inhibition of CDK4/Cyclin D1
50031123	54	ChEMBL_611996 (CHEMBL1072203)	Inhibition of IKK1
50031123	46	ChEMBL_611976 (CHEMBL1072183)	Inhibition of CDK5/P25
50031123	55	ChEMBL_611998 (CHEMBL1072205)	Inhibition of IR
50031123	48	ChEMBL_611974 (CHEMBL1072181)	Inhibition of CDK2/Cyclin E
50009907	6	ChEBML_143988	Compound was tested for its affinity to bind with Neuropeptide Y receptor type 5
50009907	7	ChEBML_143672	Compound was tested for human Neuropeptide Y receptor type 1
50009907	5	ChEBML_143844	Compound was tested for human Neuropeptide Y receptor type 2
50009907	3	ChEMBL_143989 (CHEMBL750827)	Compound was tested for its antagonistic activity against Neuropeptide Y receptor Y5 subtype stably expressed in LM(tk-)cells
50009907	2	ChEMBL_143988 (CHEMBL750826)	Compound was tested for its affinity to bind with Neuropeptide Y receptor type 5
50009907	8	ChEBML_143978	Compound was tested for human Neuropeptide Y receptor type 4
50009907	9	ChEMBL_143672 (CHEMBL755161)	Compound was tested for human Neuropeptide Y receptor type 1
50009907	4	ChEBML_144134	Compound was tested for rat Neuropeptide Y receptor type 5
50009917	3	ChEBML_49942	Competitive inhibition constant against Chymotrypsinogen using the reporter substrate Suc-AAPA-pNa
50009917	1	ChEBML_63966	Competitive inhibition constant against Human neutrophil elastase using the reporter substrate MeO-AAPV-pNa
50009917	4	ChEBML_213253	Competitive inhibition constant against trypsin using the reporter substrate Ac-R-pNa
50009917	2	ChEBML_152317	Peptide was tested for inhibition constant for competitive inhibition using Suc-AAPA-pNa and Pancreatic elastase
50009919	1	ChEBML_159150	Inhibitory activity against HIV-1 IIIB/CEM-SS protease
50009922	5	ChEBML_140686	Dissociation constant against N-methyl-D-aspartate glutamate receptor using [3H]CPP binding was determined
50009922	1	ChEMBL_106551 (CHEMBL715496)	Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulation in CHO cells expressing hmGluR4a
50009922	3	ChEBML_219011	Compound was evaluated for the inhibition of forskolin stimulated cAMP accumulation in CHO cells expressing hmGluR4a
50009922	6	ChEMBL_106692 (CHEMBL714821)	Effective concentration against Metabotropic glutamate receptor 4
50009922	4	ChEBML_106692	Effective concentration against Metabotropic glutamate receptor 4
50031125	21	ChEMBL_612333 (CHEMBL1065585)	Inhibition of human HDAC5 expressed in Escherichia coli
50031151	11	ChEMBL_610073 (CHEMBL1073834)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting in presence of 10% human serum
50031151	18	ChEMBL_610063 (CHEMBL1072472)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting
50009924	2	ChEBML_208338	Binding affinity for human thrombin
50009924	1	ChEBML_48996	Inhibition of Coagulation factor X
50009925	3	ChEBML_221156	Inhibition of murine p38 alpha MAP kinase
50009925	2	ChEBML_217008	Inhibition of c-abl kinase
50009925	12	ChEBML_89137	Inhibition of JNK1 kinase
50009925	10	ChEBML_217012	Inhibition of c-src kinase
50031151	19	ChEMBL_610068 (CHEMBL1072477)	Displacement of [3H]PGD2 from human DP2 receptor expressed in HEK293-EBNA cells by scintillation counting
50009925	5	ChEBML_104058	Inhibition of MKK6b kinase
50009925	1	ChEBML_152975	Inhibition of PKCalpha kinase
50009925	9	ChEBML_221175	Inhibition of human p38 delta MAP kinase
50009925	11	ChEBML_65272	Inhibition of ERK2 kinase
50031151	17	ChEMBL_610079 (CHEMBL1074444)	Activity at EP4 receptor in human whole blood assessed as blockade of inhibition of TNF-alpha-induced IP10 release
50009925	7	ChEBML_91764	Inhibition of JNK2 kinase
50009925	4	ChEBML_221158	Inhibition of human p38 beta MAP kinase
50009925	6	ChEBML_64450	Inhibition of EGFR kinase
50009929	1	ChEBML_83769	In vitro antagonistic activity at the Histamine H1 receptor in guinea pig ileum
50031151	10	ChEMBL_610072 (CHEMBL1073095)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay
50009930	1	ChEBML_147046	Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand
50009930	3	ChEBML_149002	Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacement of [3H]-DAMGO radioligand
50031151	16	ChEMBL_610078 (CHEMBL1074443)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay in presence of 10% human serum
50009932	2	ChEMBL_144964 (CHEMBL755082)	Compound was evaluated for inhibition of [3H]TCP binding to Nicotinic acetylcholine receptor of Torpedo californica
50009933	1	ChEBML_543	In vitro inhibitory activity against HPPD(4-hydroxyphenylpyruvate Dioxygenase) from pig liver using enol borate assay method
50023333	2	ChEMBL_528398 (CHEMBL974186)	Inhibition of mouse recombinant PKCepsilon expressed in Sf9 insect cells
50023333	1	ChEMBL_528399 (CHEMBL974187)	Inhibition of human recombinant CDK4/cyclin D1 kinase expressed in Sf9 insect cells
50023333	3	ChEMBL_528400 (CHEMBL974188)	Inhibition of human recombinant EGFR kinase expressed in Sf9 insect cells
50023335	1	ChEMBL_528407 (CHEMBL974195)	Inhibition of PLCgamma1
50023338	1	ChEMBL_528442 (CHEMBL977827)	Antagonist activity at ETB receptor
50023343	1	ChEMBL_529395 (CHEMBL974116)	Inhibition of AChE by microplate assay
50009935	3	ChEMBL_106284 (CHEMBL714633)	Inhibition of Matrix metalloprotease-1
50009935	4	ChEMBL_106624 (CHEMBL717008)	Inhibition of Matrix metalloprotease-13
50009935	1	ChEMBL_104549 (CHEMBL718935)	Inhibition of matrix metalloprotease -2
50009935	2	ChEMBL_104891 (CHEMBL715749)	Inhibition of matrix metalloprotease -3
50009936	1	ChEMBL_68889 (CHEMBL678443)	Inhibition of A-beta-42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of human APP(K595N/M596L)
50031164	3	ChEMBL_613941 (CHEMBL1068352)	Inhibition of IR by ELISA
50031179	15	ChEMBL_613534 (CHEMBL1073645)	Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay
50031181	3	ChEMBL_607886 (CHEMBL1066214)	Inhibition of IKK1
50031189	3	ChEMBL_607314 (CHEMBL1073480)	Inhibition of human recombinant BACE1 after 60 mins by fluorescence assay
50031189	2	ChEMBL_607316 (CHEMBL1073482)	Competitive inhibition of human recombinant BACE1 by Lineweaver-Burke plot analysis
50031192	6	ChEMBL_607535 (CHEMBL1071438)	Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA
50031192	2	ChEMBL_607536 (CHEMBL1071439)	Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA
50031192	7	ChEMBL_607538 (CHEMBL1071441)	Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA
50031192	8	ChEMBL_607534 (CHEMBL1071437)	Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA
50031197	3	ChEMBL_607644 (CHEMBL1071043)	Inhibition of APN from pig kidney microsomes by spectrophotometry
50031199	5	ChEMBL_607676 (CHEMBL1071696)	Inhibition of PTP1B
50031199	6	ChEMBL_607682 (CHEMBL1071702)	Inhibition of human protein-tyrosine phosphatase beta
50031202	4	ChEMBL_611745 (CHEMBL1074339)	Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells
50031205	10	ChEMBL_611772 (CHEMBL1066429)	Inhibition of autotaxin-mediated pNP-TMP hydrolysis in human MDA-MB-435 cells by amplex red protocol
50031205	11	ChEMBL_611771 (CHEMBL1066428)	Inhibition of autotaxin-mediated FS3 hydrolysis in human MDA-MB-435 cells by amplex red protocol
50031205	4	ChEMBL_611775 (CHEMBL1066432)	Competitive-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis
50031205	2	ChEMBL_611773 (CHEMBL1066430)	Mixed-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis
50031205	3	ChEMBL_611774 (CHEMBL1066431)	Mixed-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis for enzyme-substrate complex
50031205	6	ChEMBL_611779 (CHEMBL1066436)	Noncompetitive inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menten analysis
50031205	7	ChEMBL_611780 (CHEMBL1066437)	Noncompetitive inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menten analysis for enzyme-substrate complex
50031205	8	ChEMBL_611777 (CHEMBL1066434)	Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis
50031205	5	ChEMBL_611776 (CHEMBL1066433)	Competitive-type inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menten analysis
50031205	9	ChEMBL_611778 (CHEMBL1066435)	Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis for enzyme-substrate complex
50031215	3	ChEMBL_608124 (CHEMBL1074813)	Inhibition of human VLA4
50031215	2	ChEMBL_608130 (CHEMBL1074819)	Inhibition of human VLA4 in presence of 90% human plasma
50009942	1	ChEMBL_85852 (CHEMBL878174)	In vitro binding affinity towards histamine H3 receptor was determined in guinea-pig cerebral cortex using [3H](R)-alpha-methylhistamine
50031216	3	ChEMBL_608134 (CHEMBL1074823)	Inhibition of human recombinant ROCK2
50009944	1	ChEMBL_40129 (CHEMBL885357)	Ability to bind to human cloned B1 receptor in competition binding experiments with [3H][des-Arg10,Leu9]-Kallidin.
50009944	2	ChEMBL_40428 (CHEMBL652643)	Ability to bind to human cloned B2 receptor in competition binding experiments with [3H]- bradykinin
50009945	1	ChEMBL_40425 (CHEMBL652640)	Binding affinity towards human cloned B2 receptor was determined using [3H]BK as radioligand
50009945	2	ChEMBL_40131 (CHEMBL656784)	Binding affinity towards human cloned B1 receptor was determined using [3H][des-Arg10-Leu9]-kallidin as radioligand
50031219	10	ChEMBL_608480 (CHEMBL1065141)	Inhibition of MMP14
50031229	3	ChEMBL_609464 (CHEMBL1069758)	Antagonist activity at human CRTH2 receptor expressed in HEK285-7 cells assessed as inhibition of beta arrestin translocation by bioluminescence resonance energy transfer assay
50031229	2	ChEMBL_609465 (CHEMBL1069759)	Displacement of[3H]PGD2 from human CRTH2 receptor expressed in african green monkey COS7 cells
50009956	3	ChEMBL_32102 (CHEMBL644303)	Tested for in vitro inhibition activity against rat Aldose reductase (AR)
50009956	1	ChEMBL_31306 (CHEMBL646324)	Tested for in vitro inhibition activity against human aldehyde reductase (AHR)
50009956	2	ChEMBL_31784 (CHEMBL643110)	Tested for in vitro inhibition activity against human Aldose reductase (human AR)
50009958	1	ChEMBL_66293 (CHEMBL678815)	The compound was tested for binding affinity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphatase in a competition binding assay
50009958	2	ChEBML_66293	The compound was tested for binding affinity to FK506 binding protein 12 using Rapamycin as control, with an ascomycin conjugate of alkaline phosphatase in a competition binding assay
50009961	2	ChEBML_37265	Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]iodocyanopindolol
50009961	1	ChEBML_38786	Agonist activity as increasedn cAMP production in Chinese hamster ovary (CHO)cells expressing human beta-3 adrenergic receptor
50009962	2	ChEBML_37266	Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]iodocyanopindolol
50009962	1	ChEBML_38924	Stimulation of cAMP levels in CHO cells expressing the recombinant human beta-3 adrenergic receptor
50009966	3	ChEMBL_106042 (CHEMBL717364)	Inhibitory concentration on Human mGlu2 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay
50009966	1	ChEBML_218835	Inhibition of forskolin-stimulated cAMP accumulation in CHO cells expressing hmGlu4a
50009966	9	ChEMBL_105895 (CHEMBL717756)	Agonistic activity on Human mGlu2 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay
50009966	11	ChEMBL_106041 (CHEMBL873932)	Inhibitory concentration on Human Metabotropic glutamate receptor 2 expressed in recombinant mammalian cells by GTPgammaS binding assay
50009966	6	ChEMBL_218833 (CHEMBL823944)	Inhibition of forskolin-stimulated cAMP accumulation in CHO cells expressing hmGlu4a
50009969	2	ChEMBL_49240 (CHEMBL660661)	Inhibitory of Candida albicans chitin synthase 1
50031236	11	ChEMBL_609788 (CHEMBL1070755)	Inhibition of VEGFR3 after 80 mins by radiometric protein kinase assay
50031245	3	ChEMBL_610872 (CHEMBL1065027)	Inhibition of human recombinant NQO2 by spectrophotometry
50009972	3	ChEBML_70823	In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase)
50009972	1	ChEBML_32812	In vitro inhibitory activity against Aminoimidazole carboxamide ribonucleotide transformylase
50009972	2	ChEMBL_70824 (CHEMBL678860)	In vitro inhibitory activity against Glycinamide ribonucleotide transformylase (GAR Tfase) after 3 min at 250 uM
50009974	1	ChEBML_98530	Inhibitory activity against leucine aminopeptidase
50009980	1	ChEBML_28626	Inhibitory activity against Acetylcholinesterase
50031258	7	ChEMBL_612178 (CHEMBL1073598)	Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells
50031258	8	ChEMBL_612179 (CHEMBL1073599)	Inhibition of human glycine transporter 2-mediated glycine uptake expressed in HEK293 cells
50031258	2	ChEMBL_612186 (CHEMBL1074124)	Inhibition of human ERG by patch clamp study
50009987	2	ChEBML_63354	In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay
50009987	1	ChEBML_64043	In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum
50031258	9	ChEMBL_612185 (CHEMBL1074123)	Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells
50031261	2	ChEMBL_612215 (CHEMBL1074153)	Inhibition of human liver recombinant FBPase
50031263	2	ChEMBL_612235 (CHEMBL1074175)	Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha
50010000	12	ChEMBL_138710 (CHEMBL747824)	Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M3 expressed in CHO cell membranes
50010000	13	ChEMBL_138417 (CHEMBL744921)	The binding affinity was measured as inhibition of binding of [3H]- quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in membranes of CHO cells
50010000	14	ChEMBL_138415 (CHEMBL744919)	The binding affinity measured as inhibition of binding of [3H]- quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in membranes of CHO cells
50031270	4	ChEMBL_607919 (CHEMBL1066247)	Inhibition of PDE5
50031270	2	ChEMBL_607916 (CHEMBL1066244)	Inhibition of human PDE4D in U937 cells assessed as cAMP accumulation
50031271	3	ChEMBL_607931 (CHEMBL1066259)	Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader
50031276	5	ChEMBL_608232 (CHEMBL1072421)	Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase reporter gene assay
50031276	6	ChEMBL_608234 (CHEMBL1072423)	Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay
50031279	6	ChEMBL_608589 (CHEMBL1065854)	Inhibition of human recombinant COX1 in human platelets by enzyme immunoassay
50031295	3	ChEMBL_620386 (CHEMBL1112281)	Inhibition of Aurora B after 60 mins
50010000	10	ChEMBL_138711 (CHEMBL747825)	The binding affinity was measured as inhibition of binding of [3H]- quinuclidinyl benzilate to m3 Muscarinic acetylcholine receptor M3 in membranes of CHO cells
50031299	9	ChEMBL_621086 (CHEMBL1113170)	Inhibition of human recombinant cathepsin C
50031315	10	ChEMBL_619473 (CHEMBL1107749)	Inhibition of DNA-PK
50031315	8	ChEMBL_619474 (CHEMBL1107750)	Inhibition of mTORC1 in human U87MG cells assessed as phosphorylated S6 ribosomal protein (Ser235/236) level after 2 hrs by Western blotting
50031315	11	ChEMBL_619475 (CHEMBL1107751)	Inhibition of mTORC2 in human U87MG cells assessed as phosphorylated AKT (Ser473) level after 2 hrs by Western blotting
50031318	8	ChEMBL_619548 (CHEMBL1111405)	Displacement of [3H]PK11195 from TSPO at 10 uM by scintillation counting
50031319	4	ChEMBL_619828 (CHEMBL1106705)	Inhibition of ADAMTS5
50031332	5	ChEMBL_622268 (CHEMBL1110413)	Displacement of ARC583 from ROCK2
50031332	1	ChEMBL_622263 (CHEMBL1110408)	Inhibition of PKACalpha in presence of 100 uM ATP
50031337	7	ChEMBL_622958 (CHEMBL1112210)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells
50031337	1	ChEMBL_622960 (CHEMBL1112212)	Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs
50031337	8	ChEMBL_622964 (CHEMBL1112216)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in deltaC6 cells
50031337	9	ChEMBL_622957 (CHEMBL1112209)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells
50031349	1	ChEMBL_618707 (CHEMBL1102485)	Inhibition of ROCK2
50031359	9	ChEMBL_619933 (CHEMBL1113975)	Inhibition of LCK
50031359	10	ChEMBL_619940 (CHEMBL1113982)	Inhibition of Tel-fused InsR expressed in mouse BAF3 cells
50031359	11	ChEMBL_619935 (CHEMBL1113977)	Inhibition of SRC
50031359	6	ChEMBL_619938 (CHEMBL1113980)	Inhibition of Tel-fused SRC expressed in mouse BAF3 cells
50010009	2	ChEMBL_208385 (CHEMBL813752)	Inhibition of catabolic activity of human thymidine phosphorylase
50010009	1	ChEMBL_208383 (CHEMBL813750)	Inhibition of anabolic activity of human thymidine phosphorylase
50031359	5	ChEMBL_619936 (CHEMBL1113978)	Inhibition of Tel-fused LCK expressed in mouse BAF3 cells
50031362	24	ChEMBL_620227 (CHEMBL1115862)	Inhibition of PKCalpha
50031362	25	ChEMBL_620206 (CHEMBL1115841)	Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation
50031362	26	ChEMBL_620220 (CHEMBL1115855)	Inhibition of IKKalpha
50031362	27	ChEMBL_620211 (CHEMBL1115846)	Inhibition of Aurora B
50031362	28	ChEMBL_620212 (CHEMBL1115847)	Inhibition of CDK1
50031362	29	ChEMBL_620214 (CHEMBL1115849)	Inhibition of CHK1
50031364	2	ChEMBL_620280 (CHEMBL1105065)	Inhibition of human platelet PDE5 assessed as [3H]cGMP to [3H]GMP conversion pretreated 15 mins before substrate addition measured after 20 mins
50031368	4	ChEMBL_620934 (CHEMBL1117579)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decrease in intracellular calcium level
50031368	5	ChEMBL_620933 (CHEMBL1117578)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as decrease in intracellular calcium level
50031371	30	ChEMBL_621342 (CHEMBL1109435)	Inhibition of PKCalpha after 1 hr
50031371	31	ChEMBL_621350 (CHEMBL1109443)	Inhibition of VEGFR2 after 1 hr
50031371	32	ChEMBL_621326 (CHEMBL1109419)	Inhibition of EphB4 after 1 hr
50031371	33	ChEMBL_621354 (CHEMBL1109447)	Inhibition of IRK after 1 hr
50031371	34	ChEMBL_621351 (CHEMBL1109444)	Inhibition of VEGFR3 after 1 hr
50031371	35	ChEMBL_621348 (CHEMBL1109441)	Inhibition of Tie2 after 1 hr
50031377	1	ChEMBL_622645 (CHEMBL1104133)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA
50031377	2	ChEMBL_622646 (CHEMBL1104957)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 50% human plasma
50031377	5	ChEMBL_622647 (CHEMBL1104958)	Antagonist activity at human CRTH2 receptor expressed in CEM cell assessed as inhibition of PGD2-induced cell migration after 3 hrs by transwell migration assay
50031385	3	ChEMBL_620349 (CHEMBL1108604)	Inhibition of CDK5
50031385	4	ChEMBL_620347 (CHEMBL1108602)	Inhibition of CDK1
50031386	8	ChEMBL_617530 (CHEMBL1099880)	Inhibition of sucrase by HPLC
50031386	9	ChEMBL_617534 (CHEMBL1099884)	Inhibition of GBA2 by HPLC
50031391	1	ChEMBL_615090 (CHEMBL1106031)	Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assay
50031391	4	ChEMBL_615092 (CHEMBL1106033)	Inhibition of human BACE1 in HEK293 cells stably co-transfected with mutant APP(swAPP751) assessed as Amyloid beta 1-40 level after 24 hrs by ELISA
50031410	2	ChEMBL_615850 (CHEMBL1101960)	Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method
50010014	2	ChEMBL_36798 (CHEMBL650318)	Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5
50031416	2	ChEMBL_615895 (CHEMBL1102909)	Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method
50031417	7	ChEMBL_615897 (CHEMBL1102911)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells
50010016	2	ChEMBL_33736 (CHEMBL647052)	Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.
50010016	6	ChEMBL_33604 (CHEMBL652812)	Ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.
50010016	5	ChEMBL_34456 (CHEMBL651988)	Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells.
50010016	4	ChEMBL_32429 (CHEMBL646091)	Ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells.
50010016	1	ChEMBL_32450 (CHEMBL643398)	Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells.
50010016	3	ChEMBL_34327 (CHEMBL648110)	Ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells.
50010018	1	ChEMBL_225983 (CHEMBL844180)	Inhibition of tubulin polymerization
50010019	1	ChEMBL_216586 (CHEMBL821378)	Evaluated for inhibition constant (Ki wt) against Wild-type dihydrofolate reductase of Plasmodium falciparum
50010019	2	ChEMBL_138494 (CHEMBL749723)	Inhibition constant (Ki mut) against A16V+S108T Mutant DHFRs of Plasmodium falciparum
50010019	3	ChEMBL_138604 (CHEMBL748154)	Evaluated for inhibition constant (Ki mut) against A16V+S108T Mutant dihydrofolate reductase of Plasmodium falciparum
50031417	9	ChEMBL_615898 (CHEMBL1102912)	Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincubated 5 mins prior to PGD2 challenge measured after 5 mins by BRET assay
50010022	3	ChEMBL_146922 (CHEMBL757314)	Binding affinity on HEK293 cells transiently transfected with plasmids encoding the rat Opioid receptor delta 1
50010022	2	ChEMBL_145814 (CHEMBL753526)	Binding affinity on HEK293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1
50010022	1	ChEMBL_148861 (CHEMBL756657)	Binding affinity on HEK293 cells transiently transfected with plasmids encoding the rat Opioid receptor mu 1
50010027	3	ChEBML_157808	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3 (% of control ligand, sulprostone<20%)
50031418	3	ChEMBL_615910 (CHEMBL1102924)	Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA
50010027	2	ChEMBL_157810 (CHEMBL768758)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3 (% of control ligand, sulprostone=130%)
50010027	18	ChEMBL_157955 (CHEMBL766817)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=75%)
50010027	9	ChEMBL_210125 (CHEMBL814441)	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619<20%)
50010027	25	ChEMBL_157807 (CHEMBL768755)	Compound was evaluated for its ability to displace [3H]PGE-2 from human Prostaglandin E receptor EP1 isolated from CHO-KI cells (% of control ligand, 17-phi-PGE2=80%)
50010027	27	ChEBML_157807	Compound was evaluated for its ability to displace [3H]PGE-2 from human Prostaglandin E receptor EP1 isolated from CHO-KI cells (% of control ligand, 17-phi-PGE2=80%)
50010027	5	ChEMBL_210128 (CHEMBL814444)	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=90%)
50010027	28	ChEMBL_157804 (CHEMBL766783)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2=80%)
50010027	11	ChEMBL_157952 (CHEMBL765918)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=100%)
50010027	31	ChEMBL_157805 (CHEMBL766784)	Displacement of [3H]PGE-2 from Prostaglandin E receptor EP1 expressed in CHO-KI cells
50010027	10	ChEMBL_210260 (CHEMBL883488)	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=95%)
50010027	14	ChEMBL_157801 (CHEMBL768938)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2<20%)
50010027	4	ChEMBL_157812 (CHEMBL769417)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3(% of control ligand, sulprostone=75%)
50010027	24	ChEMBL_157808 (CHEMBL768756)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3 (% of control ligand, sulprostone<20%)
50031418	7	ChEMBL_616045 (CHEMBL1102008)	Inhibition of CDK1
50031418	8	ChEMBL_615907 (CHEMBL1102921)	Inhibition of AKT1 after 10 mins by [gamma33]ATP assay
50010027	12	ChEMBL_157802 (CHEMBL768939)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2<50%)
50010027	13	ChEMBL_157799 (CHEMBL768936)	Compound was evaluated for its ability to displace [3H]-PGE-2 from human Prostaglandin E receptor EP3 isolated from CHO-KI cells
50010027	15	ChEMBL_157951 (CHEMBL884077)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol<20%)
50010027	16	ChEMBL_157800 (CHEMBL768937)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP1 (% of control ligand, 17-phi-PGE2<50%)
50010027	6	ChEMBL_210126 (CHEMBL814442)	Functional activity in RAT-1cells, transiently-transfected with human TP-receptor (% of control ligand, [3H]-U-46,619=100%)
50010027	1	ChEMBL_157811 (CHEMBL768759)	Functional activity in RAT-1cells, transiently-transfected with human Prostaglandin E receptor EP3 (% of control ligand, sulprostone=50%)
50010027	19	ChEMBL_157954 (CHEMBL767043)	Functional activity in RAT-1cells, transiently-transfected with human FP-receptor (% of control ligand, fluprostenol=50%)
50010027	32	ChEMBL_157813 (CHEMBL769418)	Displacement of [3H]PGE-2 from human Prostaglandin E receptor EP3 expressed in CHO-KI cells
50010029	1	ChEBML_159446	In vitro inhibitory concentration to prevent cleavage of a substrate by the protease enzyme
50010030	3	ChEBML_38923	In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.
50031432	4	ChEMBL_616814 (CHEMBL1099398)	Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells
50010030	1	ChEBML_37386	In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125I]iodocyanopindolol.
50031435	14	ChEMBL_616841 (CHEMBL1100225)	Inhibition of human recombinant COX1
50031435	2	ChEMBL_616836 (CHEMBL1100220)	Inhibition of human mPGES1 in IL-1beta treated human FF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA
50031435	3	ChEMBL_616831 (CHEMBL1100215)	Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA
50031435	4	ChEMBL_616837 (CHEMBL1100221)	Inhibition of human COX2 in IL-1beta treated human FF cells assessed as blockade of SnCl2-mediated PGH2 to PGF2alpha conversion after 50 mins by ELISA
50010031	1	ChEBML_162253	Compound was evaluated for the inhibitory activity against recombinant Protein-tyrosine phosphatase 1B using, phosphotyrosyl dodecapeptide [TRDI(P)YETD(P)Y(P)YRK] as substrate
50031435	15	ChEMBL_616848 (CHEMBL1100232)	Inhibition of human mPGES1 in LPS-stimulated human whole blood assessed as PGE2 level after 24 hrs by ELISA
50031435	9	ChEMBL_616844 (CHEMBL1100228)	Inhibition of human mPGES1 in IL-1-beta-stimulated human RASF cells assessed as blockade of PGH2 to PGE2 conversion after 50 mins by ELISA
50031435	16	ChEMBL_616846 (CHEMBL1100230)	Inhibition of human COX2 in IL-1-beta-stimulated human RASF cells assessed as PGF2alpha levels after 50 mins by ELISA
50031435	1	ChEMBL_616842 (CHEMBL1100226)	Inhibition of human recombinant COX2
50031436	4	ChEMBL_616851 (CHEMBL1100235)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting
50031451	10	ChEMBL_614206 (CHEMBL1105156)	Inhibition of PKCeta
50031457	36	ChEMBL_614493 (CHEMBL1110561)	Inhibition of wild type Bcr-Abl
50031457	37	ChEMBL_614517 (CHEMBL1111490)	Inhibition of AAK1
50031457	38	ChEMBL_614525 (CHEMBL1111500)	Inhibition of CDK1
50031457	39	ChEMBL_614514 (CHEMBL1111487)	Inhibition of IGF1R in human TC71 cells assessed as inhibition of Akt phosphorylation by Western blot analysis
50031457	40	ChEMBL_614513 (CHEMBL1111486)	Inhibition of INSR
50031458	6	ChEMBL_614782 (CHEMBL1113301)	Inhibition of Cdk1
50031458	7	ChEMBL_614781 (CHEMBL1113300)	Inhibition of Aurora kinase 2
50031465	1	ChEMBL_615205 (CHEMBL1107840)	Inhibition of BACE1
50031465	5	ChEMBL_615211 (CHEMBL1107846)	Inhibition of BACE1 expressed in CHO cells co-transfected with human APP assessed as inhibition of cellular release of Abeta 40 after 24 hrs
50031468	11	ChEMBL_615269 (CHEMBL1115919)	Inhibition of MMP14
50031468	12	ChEMBL_615267 (CHEMBL1115917)	Inhibition of MMP9
50031471	3	ChEMBL_615460 (CHEMBL1107778)	Inhibition of BACE1
50031471	2	ChEMBL_615459 (CHEMBL1107777)	Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2
50010036	1	ChEBML_213085	Inhibitory activity against trypsin
50010036	2	ChEBML_208895	Evaluated for the binding affinity against thrombin
50010036	4	ChEBML_197815	Inhibitory activity against Serine protease chymotrypsin
50010036	3	ChEBML_155430	Inhibitory activity against plasmin
50010039	1	ChEBML_106764	Inhibition of Matrix metalloprotease-13
50010042	2	ChEBML_143845	Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor type 2 in SMS-KAN cell membranes
50010042	3	ChEBML_143993	Inhibition of binding of [3H]propionyl-NPY (1 nM) to Neuropeptide Y receptor type 5 in HEC-1-B cells
50031486	25	ChEMBL_627136 (CHEMBL1110873)	Inhibition of CHK1
50010044	1	ChEBML_161951	Compound was evaluated for inhibitory effect against protein phosphatase I (PP-I)
50031486	26	ChEMBL_626949 (CHEMBL1109837)	Inhibition of CDK1
50031486	27	ChEMBL_626952 (CHEMBL1109840)	Inhibition of PKCalpha
50010046	4	ChEMBL_33730 (CHEMBL647046)	Inhibition of binding of [125I]HEAT to cloned human alpha-1A adrenergic receptor.
50031497	20	ChEMBL_624094 (CHEMBL1103425)	Inhibition of MMP9 by fluorometric assay
50031497	21	ChEMBL_624095 (CHEMBL1103426)	Inhibition of human recombinant MMP14 by fluorometric assay
50010046	5	ChEMBL_32444 (CHEMBL646105)	Inhibition of binding of [125I]HEAT to cloned human alpha-1D adrenergic receptor.
50010047	6	ChEBML_32873	In vitro antagonism at Alpha-1D adrenergic receptor
50010047	1	ChEBML_34181	In vitro antagonism at Alpha-1A adrenergic receptor
50010047	7	ChEBML_84539	Selectivity screen against human Histamine H1 receptor
50010047	5	ChEBML_32300	In vitro antagonism at Alpha-1B adrenergic receptor
50010047	2	ChEBML_33228	In vivo inhibitory effect against Alpha-2A adrenergic receptor
50010047	3	ChEBML_33674	In vivo inhibitory effect against Alpha-2C adrenergic receptor
50010049	1	ChEMBL_104880 (CHEMBL709178)	In vitro inhibition of human recombinant Matrix metalloprotease-3.
50010049	5	ChEBML_104391	Inhibitory activity against recombinant matrix metalloprotease-2
50010049	6	ChEBML_104733	Inhibitory activity against recombinant matrix metalloprotease-3
50010049	8	ChEBML_105986	Inhibition of Matrix metalloprotease-1
50010049	7	ChEMBL_106279 (CHEMBL714629)	In vitro inhibition of human recombinant Matrix metalloprotease-1.
50010049	3	ChEMBL_104541 (CHEMBL718928)	In vitro inhibition of human recombinant Matrix metalloprotease-2.
50031497	16	ChEMBL_624109 (CHEMBL1103440)	Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA
50031497	15	ChEMBL_624108 (CHEMBL1103439)	Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of constitutive sALCAM release by ELISA
50031497	22	ChEMBL_624105 (CHEMBL1103436)	Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of constitutive sALCAM release by ELISA
50031497	14	ChEMBL_624107 (CHEMBL1103438)	Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of EGF-induced sALCAM release by ELISA
50031497	19	ChEMBL_624112 (CHEMBL1103443)	Inhibition of ADAM17 in human GI-CA-N cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA
50031497	17	ChEMBL_624110 (CHEMBL1103441)	Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of EGF-induced sALCAM release by ELISA
50010049	2	ChEMBL_105986 (CHEMBL872795)	Inhibition of Matrix metalloprotease-1
50031497	7	ChEMBL_624099 (CHEMBL1103430)	Inhibition of ADAM17 in human A2774 cells assessed as inhibition of constitutive sALCAM release by ELISA
50031497	8	ChEMBL_624100 (CHEMBL1103431)	Inhibition of ADAM17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA
50031497	10	ChEMBL_624102 (CHEMBL1103433)	Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of constitutive sALCAM release by ELISA
50031497	11	ChEMBL_624104 (CHEMBL1103435)	Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA
50031497	13	ChEMBL_624106 (CHEMBL1103437)	Inhibition of ADAM17 in human MCF7 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA
50031497	18	ChEMBL_624111 (CHEMBL1103442)	Inhibition of ADAM17 in human GI-CA-N cells assessed as inhibition of constitutive sALCAM release by ELISA
50031497	4	ChEMBL_624096 (CHEMBL1103427)	Inhibition of human recombinant ADAM17 by fluorometric assay
50010050	1	ChEBML_143994	Inhibition of binding of radioligand [125I]PYY to the human Neuropeptide Y receptor type 5, using a stably transfected HEK293 cell line
50031497	9	ChEMBL_624101 (CHEMBL1103432)	Inhibition of ADAM17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release by ELISA
50031502	24	ChEMBL_624373 (CHEMBL1107903)	Inhibition of PKCalpha
50031502	25	ChEMBL_624544 (CHEMBL1110593)	Inhibition of Aurora B
50031502	26	ChEMBL_624536 (CHEMBL1110585)	Inhibition of CDK1
50031502	27	ChEMBL_624384 (CHEMBL1107914)	Inhibition of IKKalpha
50031515	4	ChEMBL_625146 (CHEMBL1115167)	Inhibition of BACE1 by FRET assay
50010057	3	ChEBML_62646	The compound has been evaluated for its binding affinity towards Dopamine transporter by displacing the radioligand [3H]GBR-12935 (1.0 nM) in rat striatal synaptosomes.
50010057	2	ChEBML_63057	The compound has been evaluated for its binding affinity towards Dopamine receptor D2 by displacing the radioligand [3H]YM-09151-2 (0.5 nM) in rat striatal synaptosomes.
50010057	1	ChEBML_58797	The compound has been evaluated for its binding affinity towards Dopamine receptor D1 by displacing the radioligand [3H]SCH-23390 (1.5 nM) in rat striatal synaptosomes.
50031527	11	ChEMBL_626191 (CHEMBL1107125)	Agonist activity at rat MC3R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	12	ChEMBL_626188 (CHEMBL1107122)	Agonist activity at human MC3R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	13	ChEMBL_626181 (CHEMBL1117038)	Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	1	ChEMBL_626180 (CHEMBL1117037)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells
50031527	3	ChEMBL_626182 (CHEMBL1117039)	Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	5	ChEMBL_626186 (CHEMBL1107120)	Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells
50031527	14	ChEMBL_626193 (CHEMBL1107127)	Agonist activity at mouse MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031541	5	ChEMBL_624424 (CHEMBL1108752)	Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay
50031584	4	ChEMBL_624529 (CHEMBL1110578)	Inhibition of aurora B assessed as inhibition of histone H3 phosphorylation by ELISA based cellular mechanistic assay
50031594	57	ChEMBL_625030 (CHEMBL1109698)	Inhibition of Flt4
50031594	58	ChEMBL_624980 (CHEMBL1108836)	Inhibition of ErbB2 intracellular phosphorylation in human N87 cells by ELISA
50031594	59	ChEMBL_624985 (CHEMBL1109653)	Inhibition of Aurora 2
50031594	60	ChEMBL_624987 (CHEMBL1109655)	Inhibition of CDC2
50031594	45	ChEMBL_624976 (CHEMBL1108832)	Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay
50031594	61	ChEMBL_624990 (CHEMBL1109658)	Inhibition of CHK1
50031594	62	ChEMBL_625026 (CHEMBL1109694)	Inhibition of InsR
50031594	63	ChEMBL_625008 (CHEMBL1109676)	Inhibition of PKCeta
50031594	64	ChEMBL_625003 (CHEMBL1109671)	Inhibition of ROCK2
50031594	65	ChEMBL_625007 (CHEMBL1109675)	Inhibition of PKD2
50031600	4	ChEMBL_625777 (CHEMBL1106227)	Antagonist activity at human mGluR1
50031600	5	ChEMBL_625779 (CHEMBL1106229)	Antagonist activity at rat mGluR1
50010063	1	ChEBML_1730	Binding affinity for human 5-hydroxytryptamine 1D receptor
50010063	2	ChEBML_1359	Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor
50010064	2	ChEBML_3623	Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells
50010064	4	ChEMBL_3623 (CHEMBL618126)	Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells
50010065	2	ChEBML_71580	Inhibition of recombinant human Gonadotropin-releasing hormone receptor
50010065	5	ChEMBL_71737 (CHEMBL680260)	Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells
50031603	4	ChEMBL_623297 (CHEMBL1115220)	Inhibition of pig kidney aminopeptidase N using Leu-AMC as substrate
50010065	1	ChEBML_71737	Antagonist activity against Gonadotropin-releasing hormone receptor (GnRHr) in rat pituitary cells
50010067	7	ChEBML_48997	Compound was evaluated for the inhibitory activity against Coagulation factor X
50010067	8	ChEBML_27873	Compound was evaluated for the inhibitory activity against Activated protein C
50010067	1	ChEBML_208897	Compound was evaluated for the inhibitory activity against thrombin
50010067	2	ChEMBL_225384 (CHEMBL847818)	Compound was evaluated for the inhibitory activity against t-PA
50010067	6	ChEMBL_213075 (CHEMBL817142)	Compound was evaluated for the inhibitory activity against trypsin.
50010067	4	ChEBML_225384	Compound was evaluated for the inhibitory activity against t-PA
50010067	5	ChEBML_155427	Compound was evaluated for the inhibitory activity against plasmin
50010067	3	ChEBML_213075	Compound was evaluated for the inhibitory activity against trypsin.
50010069	1	ChEBML_159599	Biochemical index for Prostaglandin G/H synthase 2 measured as, PGE-2 levels in lipopolysaccharide (LPS)-challenged human whole blood
50010073	2	ChEBML_48499	Ability to block cathepsin L-catalyzed hydrolysis of the fluorogenic substrate Z-Phe-Arg-NHMec
50010073	1	ChEBML_47257	Ability to block cathepsin B-catalyzed hydrolysis of the fluorogenic substrate Z-Arg-Arg-NHMec
50010074	11	ChEMBL_32507 (CHEMBL640541)	Binding affinity towards Alpha1A human adrenergic receptors, using [125I]-HEAT as radioligand.
50010074	14	ChEMBL_2295 (CHEMBL617080)	Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]5-HT as radioligand.
50010074	18	ChEMBL_1711 (CHEMBL616918)	Binding affinity towards 5-HT1D receptor, using [3H]5-HT as radioligand.
50010074	7	ChEMBL_32527 (CHEMBL641408)	Binding affinity towards human alpha-2A-adrenergic receptor, using [3H]rauwolscine as radioligand.
50010074	17	ChEMBL_1838 (CHEMBL616809)	Binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT as radioligand.
50010074	12	ChEMBL_32516 (CHEMBL641397)	Binding affinity towards Alpha1D human adrenergic receptors, using [125I]HEAT as radioligand.
50010074	2	ChEMBL_32530 (CHEMBL646564)	Binding affinity towards human alpha-2C-adrenergic receptor, using [3H]rauwolscine as radioligand.
50010074	5	ChEMBL_32508 (CHEMBL641223)	Binding affinity towards Alpha1A rat adrenergic receptors, using [125I]HEAT as radioligand.
50010074	1	ChEMBL_32517 (CHEMBL641398)	Binding affinity towards Alpha1D rat adrenergic receptors, using [125I]HEAT as radioligand.
50010074	6	ChEMBL_85526 (CHEMBL697137)	Binding affinity towards human Histamine H2 receptor, using [3H]tiotidine as radioligand.
50010074	10	ChEMBL_34334 (CHEMBL648994)	Binding affinity towards Alpha1B human adrenergic receptors, using [125I]HEAT as radioligand.
50010074	13	ChEMBL_34638 (CHEMBL647283)	Binding affinity towards Alpha1B rat adrenergic receptors, using [125I]HEAT as radioligand.
50010074	15	ChEMBL_84423 (CHEMBL691611)	Binding affinity towards Histamine H1 receptor in human brain tissue preparation, using [3H]rauwolscine as radioligand.
50031605	6	ChEMBL_623339 (CHEMBL1116127)	Agonist activity at human recombinant LXRalpha ligand binding domain in human HuH7 cells co-transfected with fused Gal4-DBD by transactivation assay
50010076	3	ChEMBL_51551 (CHEMBL840930)	Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme
50031605	9	ChEMBL_623331 (CHEMBL1116119)	Agonist activity at human LXRalpha in HEK293 cells assessed as Gal4 transactivation
50031605	1	ChEMBL_623470 (CHEMBL1113541)	Displacement of [3H]T0901317 from human LXRbeta ligand binding domain
50031605	7	ChEMBL_623333 (CHEMBL1116121)	Agonist activity at human LXRbeta in HEK293 cells assessed as Gal4 transactivation
50031605	5	ChEMBL_623341 (CHEMBL1103568)	Agonist activity at human recombinant LXRbeta ligand binding domain in human HuH7 cells co-transfected with fused Gal4-DBD by transactivation assay
50010076	1	ChEMBL_51549 (CHEMBL661223)	Binding affinity was measured on Cytochrome P450 2C9
50031605	3	ChEMBL_623342 (CHEMBL1103569)	Binding affinity to human recombinant LXRbeta ligand binding domain
50031624	3	ChEMBL_628630 (CHEMBL1106396)	Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphoglucose isomerase/glucose-6-phosphate dehydrogenase coupled assay
50031631	2	ChEMBL_628726 (CHEMBL1107382)	Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay
50031639	5	ChEMBL_631250 (CHEMBL1113830)	Displacement of [3H]deltorphin-2 from human delta opioid receptor expressed in HEK293 cell membrane
50031639	4	ChEMBL_631254 (CHEMBL1114661)	Displacement of [3H]naloxone from kappa opioid receptor expressed in HEK293 cell membrane
50031657	14	ChEMBL_632813 (CHEMBL1111027)	Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 250 uM ATP
50031657	10	ChEMBL_632812 (CHEMBL1111026)	Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP
50031657	17	ChEMBL_632807 (CHEMBL1105618)	Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA
50031657	18	ChEMBL_632804 (CHEMBL1105615)	Inhibition of EGFR after 30 mins by chemiluminescence ELISA
50031657	16	ChEMBL_632819 (CHEMBL1111033)	Noncompetitive inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA in presence of 250 uM ATP
50031657	19	ChEMBL_632805 (CHEMBL1105616)	Inhibition of IGF1R after 30 mins by chemiluminescence ELISA
50031657	5	ChEMBL_632808 (CHEMBL1105619)	Noncompetitive inhibition of EGFR after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP
50031657	8	ChEMBL_632817 (CHEMBL1111031)	Noncompetitive inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP
50031657	11	ChEMBL_632815 (CHEMBL1111029)	Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP
50031657	15	ChEMBL_632816 (CHEMBL1111030)	Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 250 uM ATP
50031657	12	ChEMBL_632818 (CHEMBL1111032)	Noncompetitive inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP
50031657	20	ChEMBL_632806 (CHEMBL1105617)	Inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA
50031657	9	ChEMBL_632809 (CHEMBL1105620)	Noncompetitive inhibition of EGFR after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP
50031657	7	ChEMBL_632814 (CHEMBL1111028)	Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP
50031657	6	ChEMBL_632811 (CHEMBL1111025)	Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP
50031663	2	ChEMBL_629616 (CHEMBL1121185)	Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins
50031671	6	ChEMBL_630324 (CHEMBL1109071)	Inhibition oh BACE1
50031671	2	ChEMBL_630343 (CHEMBL1109090)	Inhibition of BACE1 expressed in HEK293 cells expressing human APP assessed as amyloid beta42 production
50010079	1	ChEMBL_71754 (CHEMBL680276)	Inhibition constant for the displacement of specific binding of [125I][D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes
50010080	1	ChEMBL_71731 (CHEMBL680410)	Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes
50010081	3	ChEMBL_1206 (CHEMBL615972)	In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membranes
50010081	1	ChEMBL_61455 (CHEMBL670882)	In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]raclopride from D2A receptor expressed in mouse fibroblast (LtK-) cells
50010081	2	ChEMBL_58670 (CHEMBL670444)	In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]SCH-23390 from Dopamine receptor D1 in rat striatum
50010081	7	ChEMBL_1207 (CHEMBL615973)	In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membranes + cortex
50010081	4	ChEMBL_2665 (CHEMBL617913)	In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat cortex
50010081	5	ChEMBL_61460 (CHEMBL670887)	In vitro binding affinity at human cloned Dopamine receptor D2A by measuring its ability to displace [3H]raclopride from D2A receptor expressed in mouse fibroblast (LtK-) cells
50010081	6	ChEMBL_1208 (CHEMBL615974)	In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membranes+cortex
50010083	3	ChEMBL_43839 (CHEMBL658501)	In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determined
50010083	2	ChEMBL_43839 (CHEMBL658501)	In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) using [14C]-AA (50 uM) was determined
50031679	2	ChEMBL_630842 (CHEMBL1109212)	Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry
50031700	5	ChEMBL_632325 (CHEMBL1112953)	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as intracellular calcium stimulation
50031700	3	ChEMBL_632324 (CHEMBL1112952)	Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation
50031700	6	ChEMBL_632323 (CHEMBL1112951)	Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as icilin-induced calcium elevation
50031707	8	ChEMBL_629208 (CHEMBL1121322)	Inhibition of HDAC5 catalytic domain expressed in Escherichia coli after 15 mins by fluorescence assay
50031709	2	ChEMBL_629241 (CHEMBL1121355)	Inhibition of human BACE1 by FRET assay
50031712	4	ChEMBL_629445 (CHEMBL1105798)	Agonist activity at human recombinant LXRbeta ligand binding domain in HuH7 cells by Gal4 transactivation assay
50031712	1	ChEMBL_629443 (CHEMBL1105796)	Displacement of [3H]T0901317 from LXRbeta ligand binding domain
50010085	1	ChEMBL_31114 (CHEMBL642225)	Inhibition of recombinant human adenosine kinase
50010086	1	ChEMBL_31116 (CHEMBL643544)	Inhibition of recombinant human adenosine kinase
50031713	9	ChEMBL_629474 (CHEMBL1120763)	Inhibition of InsR
50031713	10	ChEMBL_629477 (CHEMBL1120766)	Inhibition of PKCalpha
50031719	2	ChEMBL_629959 (CHEMBL1112036)	Displacement of [3H[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50031719	20	ChEMBL_629960 (CHEMBL1112037)	Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50031719	21	ChEMBL_630137 (CHEMBL1113728)	Inhibition of beta2 adrenergic receptor
50031725	2	ChEMBL_630934 (CHEMBL1116533)	Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake
50031727	1	ChEMBL_631137 (CHEMBL1107401)	Inhibition of tetrodotoxin-sensitive Na+ channel by patch-clamp electrophysiology
50031727	3	ChEMBL_631138 (CHEMBL1107402)	Inhibition of tetrodotoxin-sensitive Na+ channel at -50 mV membrane holding potential by patch-clamp electrophysiology
50031734	1	ChEMBL_632138 (CHEMBL1103872)	Inhibition of BACE1
50031734	3	ChEMBL_632139 (CHEMBL1103873)	Inhibition of BACE1 assessed as amyloid beta (1-40) production
50031741	1	ChEMBL_629042 (CHEMBL1120946)	Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay
50031741	10	ChEMBL_629045 (CHEMBL1120949)	Inhibition of LFA1-mediated human T cell proliferation assessed as [3H]thymidine uptake after 4 days by mixed lymphocyte reaction assay
50031741	4	ChEMBL_629046 (CHEMBL1120950)	Inhibition of LFA1-mediated IL2 mRNA level in SEB-stimulated human whole blood measured after 6 hrs post stimulation by RT-PCR analysis
50031754	3	ChEMBL_630246 (CHEMBL1106455)	Displacement of [3H]estrone from human placental 17beta-HSD1
50031780	9	ChEMBL_635468 (CHEMBL1120618)	Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells
50031780	8	ChEMBL_635476 (CHEMBL1117710)	Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay
50031780	5	ChEMBL_635474 (CHEMBL1117708)	Agonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF assay
50031780	10	ChEMBL_635469 (CHEMBL1120619)	Displacement of [125I]cyanopindolol from human adrenergic beta3 receptor expressed in CHOK1 cells
50031780	6	ChEMBL_635473 (CHEMBL1117707)	Antagonist activity at human adrenergic beta2 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay
50031780	11	ChEMBL_635467 (CHEMBL1120617)	Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells
50031785	5	ChEMBL_635658 (CHEMBL1119550)	Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation proximity assay
50031786	11	ChEMBL_635693 (CHEMBL1120091)	Inhibition of PDE11A
50031786	12	ChEMBL_635688 (CHEMBL1119717)	Inhibition of PDE5A
50031786	13	ChEMBL_635680 (CHEMBL1119709)	Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillation counting
50031787	13	ChEMBL_633822 (CHEMBL1119900)	Inhibition of HDAC7
50031787	1	ChEMBL_633815 (CHEMBL1119893)	Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation
50031787	14	ChEMBL_633814 (CHEMBL1119892)	Inhibition of HDAC1
50031787	15	ChEMBL_633816 (CHEMBL1119894)	Inhibition of HDAC8
50031787	16	ChEMBL_633820 (CHEMBL1119898)	Inhibition of HDAC5
50031796	5	ChEMBL_634206 (CHEMBL1119788)	Antagonist activity at human TRPV1
50031796	1	ChEMBL_634228 (CHEMBL1120175)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of N-arachidonoyl-dopamine-induced effect
50031796	4	ChEMBL_634220 (CHEMBL1119802)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced effect at pH 5.5
50031797	4	ChEMBL_634231 (CHEMBL1120178)	Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay
50031800	6	ChEMBL_634308 (CHEMBL1120721)	Inhibition of Aurora B
50031805	3	ChEMBL_634583 (CHEMBL1117924)	Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis
50031805	2	ChEMBL_634582 (CHEMBL1117923)	Inhibition of human recombinant BACE1 after 60 mins by FRET assay
50031806	7	ChEMBL_634586 (CHEMBL1117927)	Inhibition of ROCK2
50031806	8	ChEMBL_634589 (CHEMBL1117930)	Inhibition of Prkce
50031806	9	ChEMBL_634590 (CHEMBL1117931)	Inhibition of DMPK
50031806	10	ChEMBL_634588 (CHEMBL1117929)	Inhibition of ROCK1
50031806	11	ChEMBL_634592 (CHEMBL1117933)	Inhibition of Prkcl2
50031806	12	ChEMBL_634591 (CHEMBL1117932)	Inhibition of CDc42
50031808	10	ChEMBL_634710 (CHEMBL1118795)	Agonist activity at alpha4beta2 nAChR
50031808	11	ChEMBL_634713 (CHEMBL1118798)	Binding affinity to adrenergic alpha2B receptor
50031808	2	ChEMBL_634707 (CHEMBL1118792)	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells
50031808	3	ChEMBL_634708 (CHEMBL1118793)	Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells by whole cell patch-clamp electrophysiology
50031816	2	ChEMBL_634905 (CHEMBL1120632)	Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	14	ChEMBL_634914 (CHEMBL1117654)	Antagonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay
50031816	4	ChEMBL_634915 (CHEMBL1117769)	Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting in presence of 10% human serum
50031816	6	ChEMBL_634917 (CHEMBL1117771)	Antagonist activity at prostanoid EP4 receptor in human whole blood assessed as inhibition of TNF-alpha-induced IP-10 release in presence EP4 agonist L-000902688
50031816	15	ChEMBL_634910 (CHEMBL1117650)	Displacement of [3H]PGD2 from human Prostanoid DP2 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031818	2	ChEMBL_635028 (CHEMBL1118579)	Inhibition of DNA-dependent protein kinase
50031824	6	ChEMBL_635071 (CHEMBL1119185)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in HEK293 cells
50031831	8	ChEMBL_635368 (CHEMBL1119681)	Inhibition of FAP
50031831	6	ChEMBL_635373 (CHEMBL1119686)	Inhibition of DPP4 in presence of 50% human serum
50010104	1	ChEMBL_2826 (CHEMBL621512)	Displacement of [3H]mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor
50010104	2	ChEMBL_2636 (CHEMBL618692)	Displacement of [3H]ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor
50010107	1	ChEMBL_61667 (CHEMBL879871)	In vitro binding affinity on cloned Dopamine transporter
50010107	3	ChEMBL_201480 (CHEMBL804589)	In vitro binding affinity on cloned Serotonin transporter
50010107	2	ChEMBL_142937 (CHEMBL750366)	In vitro binding affinity on cloned Norepinephrine transporter
50010108	1	ChEMBL_63842 (CHEMBL673226)	Inhibition of Human Endothelin B receptor expressed in CHO Cells.
50010108	2	ChEMBL_65638 (CHEMBL681520)	Inhibition of Human Endothelin A receptor expressed in CHO Cells.
50010109	2	ChEMBL_29127 (CHEMBL642431)	Displacement of specific [3H]CHA binding at adenosine A1 receptor in bovine brain membranes
50010109	6	ChEMBL_32017 (CHEMBL649053)	Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in CHO cells
50010109	4	ChEMBL_31055 (CHEMBL642126)	Displacement of [3H]-CGS- 21680 from adenosine A2A receptor in bovine striatal membranes.
50010109	5	ChEMBL_31054 (CHEMBL642125)	Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in bovine striatal membranes.
50010109	1	ChEMBL_32018 (CHEMBL649054)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells.
50010109	3	ChEMBL_29128 (CHEMBL642432)	Displacement of [3H]CHA from adenosine A1 receptor in bovine brain membranes
50031831	2	ChEMBL_635364 (CHEMBL1119677)	Inhibition of DPP4
50031831	9	ChEMBL_635374 (CHEMBL1119687)	Inhibition of DPP4 in presence of 50% rat serum
50031842	3	ChEMBL_633892 (CHEMBL1120458)	Inhibition of mouse SMO expressed in NIH-3T3 cells
50031846	9	ChEMBL_634108 (CHEMBL1118892)	Inhibition of MMP14
50031846	10	ChEMBL_634106 (CHEMBL1118890)	Inhibition of MMP9
50031847	8	ChEMBL_634124 (CHEMBL1119131)	Inhibition of MMP14
50031847	9	ChEMBL_634123 (CHEMBL1119130)	Inhibition of MMP9
50031857	4	ChEMBL_638490 (CHEMBL1166257)	Inhibition of BACE1
50031857	5	ChEMBL_638489 (CHEMBL1166256)	Inhibition of BACE1 in human HEK293 cells transfected with pCDNA-neo-SEAP-APP assessed as secreted alkaline phosphatase after cleavage of beta-site of APP by fluorescence assay
50031857	2	ChEMBL_638491 (CHEMBL1166258)	Inhibition of human BACE1 preincubated for 30 min measured after 30 mins
50031857	3	ChEMBL_638492 (CHEMBL1166259)	Inhibition of human BACE1 in HEK293T cells transfected with APP695 after 20 to 24 hrs by Western blot analysis
50010113	2	ChEMBL_43999 (CHEMBL655565)	Inhibitory activity against human Prostaglandin G/H synthase 2
50031858	2	ChEMBL_638726 (CHEMBL1169087)	Inhibition of BACE1 after 2 hrs by FRET assay
50010113	3	ChEMBL_159906 (CHEMBL856204)	Inhibitory activity against Prostaglandin G/H synthase 2
50010115	1	ChEMBL_147317 (CHEMBL755710)	Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1
50010115	2	ChEMBL_147178 (CHEMBL754477)	Inhibitory activity against Opioid receptor delta 1 in rat brain membranes using [3H]DADLE as a radioligand.
50010129	1	ChEMBL_86898 (CHEMBL698408)	Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.
50031882	8	ChEMBL_639074 (CHEMBL1166750)	Inhibition of VEGFR3
50031883	5	ChEMBL_639391 (CHEMBL1167771)	Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay
50031883	6	ChEMBL_639389 (CHEMBL1167769)	Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay
50010136	2	ChEMBL_39652 (CHEMBL650746)	Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5
50010136	5	ChEMBL_41890 (CHEMBL655683)	Compound was evaluated for the antagonist activity against C-C chemokine receptor type 2
50010136	4	ChEBML_41896	Compound was evaluated for the antagonist activity against human C-C chemokine receptor type 2
50010136	3	ChEMBL_41896 (CHEMBL655689)	Compound was evaluated for the antagonist activity against human C-C chemokine receptor type 2
50010136	1	ChEBML_39643	Compound was evaluated for the antagonist activity against C-C chemokine receptor type 5
50031895	2	ChEMBL_637676 (CHEMBL1166868)	Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay
50031930	5	ChEMBL_640033 (CHEMBL1174247)	Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyridine-3-aldehyde reduction
50031930	6	ChEMBL_640034 (CHEMBL1174248)	Inhibition of dehydrogenase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of geraniol dehydrogenation in presence of saturating concentration of NADP+
50031933	4	ChEMBL_640858 (CHEMBL1173926)	Inhibition of human recombinant histidine-tagged ALK (103-1459) expressed in Sf9 cells by ELISA
50031963	5	ChEMBL_643028 (CHEMBL1176542)	Binding affinity to human NTR2 by gamma counting
50031977	5	ChEMBL_642034 (CHEMBL1176066)	Agonist activity at human C3a receptor in human U937 cells assessed as induction of intracellular calcium release
50031977	1	ChEMBL_642036 (CHEMBL1176068)	Displacement of [125I-C3a] from C3a receptor in human PBMC by scintillation counting
50031977	4	ChEMBL_642037 (CHEMBL1176069)	Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization
50031977	6	ChEMBL_642035 (CHEMBL1176067)	Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting
50031981	2	ChEMBL_642245 (CHEMBL1176954)	Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate
50031981	3	ChEMBL_642246 (CHEMBL1176955)	Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release
50010150	2	ChEBML_63344	Displacement of [125 I] ET-1 from rat aortic smooth muscle A7r5 cells transfected with Endothelin A receptor
50010150	1	ChEBML_63858	Binding affinity towards displacement of [125 I] ET-3 from COS-7 cells transfected with porcine Endothelin B receptor
50010153	1	ChEBML_45057	Binding affinity of compound against human Carbonic anhydrase II
50010155	1	ChEMBL_46497 (CHEMBL659500)	Dissociation constant for inhibition of caspase-1
50010155	2	ChEMBL_46498 (CHEMBL659501)	Compound was evaluated for the inhibitory activity against caspase-1
50010155	3	ChEMBL_46496 (CHEMBL659499)	Compound was evaluated for the inhibitory activity against caspase-1
50031983	3	ChEMBL_642350 (CHEMBL1177376)	Inhibition of COX1 by microplate reader
50031990	7	ChEMBL_644599 (CHEMBL1211536)	Inhibition of COX1
50031993	2	ChEMBL_644672 (CHEMBL1211651)	Agonist activity at human GLP-1 receptor expressed in CHO cells assessed as increase in cAMP production
50032002	47	ChEMBL_643603 (CHEMBL1212467)	Displacement of [3H](-)CGP 12177 from human recombinant beta2 receptor expressed in CHO cells
50032007	3	ChEMBL_643730 (CHEMBL1212594)	Antagonist activity at mouse cloned Smo receptor expressed in NIH-3T3 cells co expressing Gli1 binding site after 15 hrs by luciferase reporter gene assay
50032008	9	ChEMBL_643822 (CHEMBL1212686)	Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
50032008	10	ChEMBL_643828 (CHEMBL1212692)	Displacement of [125I]NDP-alpha-MSH from human MC3 receptor expressed in CHO cells
50032008	1	ChEMBL_643823 (CHEMBL1212687)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50032008	4	ChEMBL_643829 (CHEMBL1211728)	Agonist activity at human MC3 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50032008	11	ChEMBL_643825 (CHEMBL1212689)	Displacement of [125I]NDP-alpha-MSH from human MC1 receptor expressed in CHO cells
50010158	1	ChEMBL_158459 (CHEMBL763263)	Inhibitory Binding constant (n=2) to Prostanoid FP receptor expressed in bovine corpus luteum
50010159	8	ChEMBL_140478 (CHEMBL747069)	Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes
50010159	1	ChEMBL_140482 (CHEMBL747072)	Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes
50010159	3	ChEMBL_140484 (CHEMBL747074)	Concentration required for 50% Inhibition of responses at cloned NR1A/2C N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes
50010159	9	ChEMBL_61430 (CHEMBL671404)	Displacement of [3H]raclopride at Dopamine receptor D2 in brain striata (n=1)
50010159	7	ChEMBL_141803 (CHEMBL748701)	Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes
50010159	6	ChEMBL_140485 (CHEMBL747075)	Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes
50010159	14	ChEMBL_140480 (CHEMBL747071)	Concentration required for 50% Inhibition of responses at cloned NR1A/2AB N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes
50010159	12	ChEMBL_141911 (CHEMBL751529)	Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes
50010159	13	ChEMBL_141912 (CHEMBL751530)	Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes
50010159	5	ChEMBL_140477 (CHEMBL747068)	Concentration required for 50% Inhibition of responses at cloned NR1A/2A N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes
50010159	2	ChEMBL_140481 (CHEMBL872726)	Concentration required for 50% Inhibition of responses at cloned NR1A/2AB N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes
50032008	12	ChEMBL_643831 (CHEMBL1211730)	Displacement of [125I]NDP-alpha-MSH from human MC5 receptor expressed in CHO cells
50010159	4	ChEMBL_140483 (CHEMBL747073)	Concentration required for 50% Inhibition of responses at cloned NR1A/2B NMDA expressed in Xenopus oocytes
50010160	3	ChEMBL_143675 (CHEMBL755164)	Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line
50010160	1	ChEMBL_154174 (CHEMBL762378)	Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short circuit current (SCC) method.
50010160	4	ChEMBL_143674 (CHEMBL755163)	Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line
50010160	2	ChEMBL_154175 (CHEMBL762379)	Tested for the affinity for intestinal PYY from rat jejunum by using short circuit current (SCC) method.
50023368	1	ChEMBL_524607 (CHEMBL974648)	Inhibition of lipoxygenase 5 product formation from endogenous substrate in Calcium and ionophore-stimulated polymorphonuclear leukocyte
50010167	2	ChEMBL_205056 (CHEMBL810250)	In vitro inhibitory activity against Steroid 5-alpha-reductase type I
50010167	1	ChEBML_204907	In vitro inhibitory activity against Steroid 5-alpha-reductase type 2
50032008	6	ChEMBL_643826 (CHEMBL1212690)	Agonist activity at human MC1 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50032008	8	ChEMBL_643832 (CHEMBL1211731)	Agonist activity at human MC5 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50032012	4	ChEMBL_643894 (CHEMBL1211793)	Inhibition of mouse cathepsin S by fluorescence assay
50032012	6	ChEMBL_643891 (CHEMBL1211790)	Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in human JY cells assessed as accumulation of lip10 by Western blot analysis
50032012	7	ChEMBL_643899 (CHEMBL1211798)	Inhibition of cathepsin S-mediated proteolytic cleavage of MHC2 associated invariant chain in mouse splenocytes assessed as accumulation of lip10 by Western blot analysis
50032012	2	ChEMBL_643889 (CHEMBL1211788)	Inhibition of human cathepsin S by fluorescence assay
50032018	4	ChEMBL_643983 (CHEMBL1211882)	Antagonist activity at human mGLUR1
50032018	2	ChEMBL_643985 (CHEMBL1211884)	Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry
50032018	5	ChEMBL_643984 (CHEMBL1211883)	Displacement of [3H]-M-MPEP from rat mGLUR5
50010173	5	ChEMBL_220135 (CHEMBL841418)	Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.
50010173	4	ChEMBL_218217 (CHEMBL824387)	Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.
50010173	6	ChEMBL_218219 (CHEMBL821404)	Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity assay fluomicrospheres.
50010174	1	ChEBML_34991	Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.
50010174	2	ChEBML_34995	Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.
50010179	2	ChEBML_38922	Stimulated increase in cAMP in CHO cells expressing human beta-3 receptor
50010179	1	ChEBML_37379	Binding affinity (measured using [125I]iodocyanopindolol) against human Beta-1 adrenergic receptor expressed in CHO cells
50032022	15	ChEMBL_644050 (CHEMBL1211949)	Inhibition of Smoothened transfected in HEK293 cells by binding assay
50032022	16	ChEMBL_644057 (CHEMBL1211956)	Binding affinity to beta2 adrenergic receptor
50032022	17	ChEMBL_644069 (CHEMBL1211968)	Binding affinity to dopamine D4 receptor
50032024	8	ChEMBL_644082 (CHEMBL1211981)	Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells
50032024	10	ChEMBL_644083 (CHEMBL1211982)	Agonist activity at human melanocortin 4 receptor expressed in CHO cells assessed as cAMP release
50032024	11	ChEMBL_644103 (CHEMBL1212002)	Agonist activity at human melanocortin 3 receptor expressed in CHO cells assessed as cAMP release
50032024	12	ChEMBL_644111 (CHEMBL1212010)	Agonist activity at mouse melanocortin 4 receptor expressed in CHO cells assessed as cAMP release
50032024	2	ChEMBL_644101 (CHEMBL1212000)	Inhibition of human melatonin receptor type 1B
50032024	3	ChEMBL_644102 (CHEMBL1212001)	Inhibition of human melanocortin 3 receptor
50032031	2	ChEMBL_644903 (CHEMBL1211233)	Agonist activity at human full length FXR transfected in HEK293 cells coexpressing pTRexDest/pGL2promotor assessed as luciferase activity by direct reporter cellular assay
50032031	1	ChEMBL_644901 (CHEMBL1211231)	Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay
50010183	2	ChEBML_67869	Compound was evaluated for inhibition of [125I]EPO binding to Erythropoietin receptor (EBP)
50010183	1	ChEMBL_67869 (CHEMBL679895)	Compound was evaluated for inhibition of [125I]EPO binding to Erythropoietin receptor (EBP)
50010188	1	ChEBML_159297	Compound was evaluated for the inhibition of HIV-1 protease
50010190	1	ChEBML_64202	In vitro inhibition of human Endothelin converting Enzyme-1 activity
50032031	23	ChEMBL_644950 (CHEMBL1211336)	Agonist activity at LXRbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	24	ChEMBL_644899 (CHEMBL1211229)	Agonist activity at human GST-fused FXR LBD assessed as cofactor peptide interaction with receptor ligand binding domain by FRET assay
50032055	4	ChEMBL_646924 (CHEMBL1217065)	Inhibition of beta-secretase
50032055	1	ChEMBL_646921 (CHEMBL1217062)	Inhibition of AChE
50032064	9	ChEMBL_647517 (CHEMBL1217457)	Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocystein detection assay
50032064	2	ChEMBL_647513 (CHEMBL1217453)	Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 methylation by chemiluminescence based oxygen tunneling assay
50032064	4	ChEMBL_647514 (CHEMBL1217454)	Activity at methyl transferase activity GLP by chemiluminescence based oxygen tunneling assay
50032064	10	ChEMBL_647518 (CHEMBL1217458)	Binding affinity to G9a by isothermal titration colorimetry
50032064	1	ChEMBL_647515 (CHEMBL1217455)	Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocystein detection assay
50032064	11	ChEMBL_647522 (CHEMBL1217462)	Activity at methyl transferase activity PRMT3 by enzyme coupled S-adenocylehomocystein detection assay
50032065	1	ChEMBL_647524 (CHEMBL1217464)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay
50032065	2	ChEMBL_647525 (CHEMBL1217572)	Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation
50032065	7	ChEMBL_647333 (CHEMBL1217658)	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR assay
50032067	9	ChEMBL_647568 (CHEMBL1217615)	Displacement of [3H]substance P frome rat NK2 receptor
50032067	5	ChEMBL_647571 (CHEMBL1217618)	Displacement of [3H]DPDPE from human delta opioid receptor
50032067	4	ChEMBL_647570 (CHEMBL1217617)	Displacement of [3H]DPDPE from rat mu opioid receptor
50032067	10	ChEMBL_647573 (CHEMBL1217620)	Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding
50032067	11	ChEMBL_647574 (CHEMBL1217621)	Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding
50032067	12	ChEMBL_647569 (CHEMBL1217616)	Displacement of [3H]substance P frome human NK1 receptor
50032067	13	ChEMBL_647576 (CHEMBL1217623)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50010192	1	ChEBML_124644	Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 expressed in Escherichia coli.
50010193	4	ChEBML_124643	Inhibition of mitogen-activated protein kinase p38 alpha 2
50010193	5	ChEMBL_226182 (CHEMBL874060)	Inhibition of Abl tyrosine kinase
50010193	2	ChEBML_124662	Inhibition of Mitogen-activated protein kinase p38 beta
50010193	1	ChEBML_216678	Inhibition of c-Jun N-terminal kinase 1
50010195	1	ChEBML_210076	Inhibitory activity against human ovarian cancer cell (A2780 cells) Telomerase
50032067	14	ChEMBL_647577 (CHEMBL1217624)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50032077	3	ChEMBL_647222 (CHEMBL1217363)	Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis
50010199	2	ChEBML_157582	Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase
50010199	1	ChEBML_32951	Compound was evaluated for the inhibitory activity against Human alpha polymerase
50032095	8	ChEMBL_650024 (CHEMBL1219722)	Inhibition of recombinant aurora B
50032095	9	ChEMBL_650088 (CHEMBL1219786)	Inhibition of CSF1R by radiometric method
50032095	10	ChEMBL_650087 (CHEMBL1219785)	Inhibition of PDGFRbeta by radiometric method
50032095	11	ChEMBL_650085 (CHEMBL1219783)	Inhibition of c-Kit by radiometric method
50032095	7	ChEMBL_650084 (CHEMBL1219782)	Inhibition of VEGFR2 by radiometric method
50032095	6	ChEMBL_650086 (CHEMBL1219784)	Inhibition of FLT3 by radiometric method
50032096	7	ChEMBL_650129 (CHEMBL1219827)	Inhibition of PKD1 assessed as HDAC5 neuclear export
50032096	1	ChEMBL_650128 (CHEMBL1219826)	Inhibition of PKD1 by TR-FRET assay
50010205	1	ChEBML_41696	Tested in vitro for its ability to stimulate increase in cAMP in CHO cells expressing the cloned human beta-3 adrenergic receptor
50010205	3	ChEBML_37262	Binding affinity for cloned human Beta-1 adrenergic receptor expressed in CHO cells, tested in the presence of I-iodocyanopindolol.
50010206	3	ChEBML_60226	Binding affinity at human Dopamine receptor D2 by [3H]- YM 09151 displacement.
50010206	1	ChEBML_60689	Binding affinity at human Dopamine receptor D4 by [3H]- YM 09151 displacement.
50032096	8	ChEMBL_650126 (CHEMBL1219824)	Inhibition of PKCalpha by TR-FRET assay
50032097	1	ChEMBL_650172 (CHEMBL1219870)	Inhibition of PKD1 by TR-FRET assay
50032097	5	ChEMBL_650173 (CHEMBL1219871)	Inhibition of PKD1 assessed as inhibition of HDAC5 neuclear export
50032098	4	ChEMBL_650208 (CHEMBL1219906)	Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay
50032098	2	ChEMBL_650209 (CHEMBL1219907)	Induction of MRP1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay
50032105	5	ChEMBL_649377 (CHEMBL1219075)	Inhibition of recombinant His-tagged JMJD2A expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay
50032108	6	ChEMBL_649463 (CHEMBL1219161)	Inhibition of ROCK2
50032114	3	ChEMBL_653482 (CHEMBL1226685)	Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione from MCT1 in human Jurkat cell membranes
50032114	1	ChEMBL_653483 (CHEMBL1226686)	Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione from human MCT1 expressed in INS1 cell membrane
50032143	4	ChEMBL_651475 (CHEMBL1227592)	Displacement of [3H]CGP12177 from human beta2 adrenoceptor
50032143	3	ChEMBL_651477 (CHEMBL1227594)	Agonist activity at beta 2 in human A431 cells adrenoceptor assessed as cAMP accumulation
50032143	5	ChEMBL_651476 (CHEMBL1227593)	Displacement of [3H]CGP12177 from human beta-1 adrenoceptor
50023402	1	ChEMBL_525587 (CHEMBL969998)	Inhibition of GST tagged Grb2 SH2 domain binding to Shc-derived [3H]phosphopeptide
50010231	6	ChEBML_217758	Inhibition of Zap 70
50010231	1	ChEBML_214091	Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP
50010231	11	ChEBML_225039	Inhibition of src at 5 mM ATP
50010231	2	ChEBML_221327	Inhibition of p56 Lck tyrosine kinase at 1 mM ATP
50010231	13	ChEMBL_40085 (CHEMBL655754)	Inhibition of CDC2/CyB
50010231	9	ChEBML_225776	Inhibition of tie-2 at 5 uM ATP
50010231	10	ChEBML_66573	Inhibition of Epidermal growth factor receptor
50032148	6	ChEMBL_651536 (CHEMBL1227788)	Inhibition of human BACE1
50010232	6	ChEBML_214092	Inhibitory activity against vascular endothelial growth factor receptor 2 (VEGFR2) at a concentration of 5 uM ATP.
50032160	1	ChEMBL_651707 (CHEMBL1228397)	Inhibition of CHK1
50010232	11	ChEBML_217387	Inhibition of Csk tyrosine kinase
50032160	4	ChEMBL_651698 (CHEMBL1228388)	Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells
50010232	2	ChEBML_225777	Inhibitory activity against tie-2 at a concentration of 5 uM ATP.
50010232	8	ChEBML_69447	Inhibition of Fyn protein kinase
50010232	4	ChEBML_161960	Inhibition of Protein tyrosine kinase Lyn
50032167	2	ChEMBL_651967 (CHEMBL1227640)	Inhibition of human recombinant GST-Chk1after 30 mins
50032171	8	ChEMBL_652135 (CHEMBL1228244)	Inhibition of recombinant IKKalpha after 15 mins
50032174	2	ChEMBL_652177 (CHEMBL1228286)	Inhibition of ROCK2
50032192	7	ChEMBL_652624 (CHEMBL1225827)	Inhibition of human Nav 1.7 channel by voltage-ion-probe-reader
50032192	5	ChEMBL_652622 (CHEMBL1225825)	Inhibition of human Nav 1.7 channel by electrophysiology
50010236	3	ChEBML_139011	Inhibition of Suc-Leu-Tyr-AMC binding to human mu-calpain from erythrocytes
50010236	2	ChEBML_47433	Inhibition of human Cathepsin B
50032193	6	ChEMBL_652848 (CHEMBL1226051)	Inhibition of human PDE5A
50032194	7	ChEMBL_652884 (CHEMBL1226087)	Blockade of human Nav1.7 by voltage ion probe reader based FRET assay
50032194	8	ChEMBL_652889 (CHEMBL1226092)	Inhibition of CYP2C9
50032194	2	ChEMBL_652886 (CHEMBL1226089)	Blockade of human Nav1.7 by electrophysiology assay
50032194	9	ChEMBL_652888 (CHEMBL1226091)	Inhibition of CYP3A4
50032194	6	ChEMBL_652883 (CHEMBL1226086)	Binding affinity to human Nav1.7
50010242	1	ChEMBL_155416 (CHEMBL766118)	Inhibitory activity of compound was evaluated against plasmin; not detectable
50032194	10	ChEMBL_652890 (CHEMBL1226093)	Inhibition of CYP2D6
50032195	1	ChEMBL_652919 (CHEMBL1226122)	Agonist activity at human D1 receptor assessed as cAMP accumulation
50032195	14	ChEMBL_652382 (CHEMBL1225585)	Binding affinity to adrenergic alpha2B receptor
50032200	1	ChEMBL_652722 (CHEMBL1225925)	Displacement of radioligand from human GPR109A
50032200	6	ChEMBL_654086 (CHEMBL1228892)	Agonist activity at rat GPR109A receptor assessed as GTPgammaS binding
50032200	7	ChEMBL_652723 (CHEMBL1225926)	Displacement of radioligand from human GPR109B
50032205	2	ChEMBL_654323 (CHEMBL1228671)	Inhibition of BACE1-mediated cleavage of amyloid precursor protein after 16 hrs by spectrophotometry
50032214	2	ChEMBL_660596 (CHEMBL1249194)	Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISA
50032216	24	ChEMBL_660975 (CHEMBL1249642)	Inhibition of Aurora B kinase
50032216	25	ChEMBL_660993 (CHEMBL1249725)	Inhibition of VEGFR-3 kinase
50010246	2	ChEMBL_70451 (CHEMBL680084)	Inhibition of purified recombinant human farnesyltransferase (FT)
50010246	1	ChEMBL_86609 (CHEMBL699336)	Inhibition of geranylgeranyl transferase (GGT1) using Ras-CVLL as substrate
50010246	3	ChEMBL_91182 (CHEMBL699667)	Inhibition of geranylgeranyl transferase (GGT1) using K-Ras as substrate
50010248	2	ChEMBL_49727 (CHEMBL661969)	Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.
50010248	6	ChEMBL_48099 (CHEMBL663086)	Binding affinity against cholecystokinin type B receptor on guinea pig cortex.
50010248	3	ChEMBL_49726 (CHEMBL661968)	Compound was tested for binding affinity against CCK1 (cholecystokinin) receptor on guinea pig pancreatic membranes
50010248	4	ChEMBL_48100 (CHEMBL663087)	Compound was tested for binding affinity against Cholecystokinin type B receptor on guinea pig cortex in experiment 1
50010248	1	ChEMBL_48439 (CHEMBL660367)	Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.
50010248	7	ChEMBL_48605 (CHEMBL659586)	Compound was tested for binding affinity against Cholecystokinin type B receptor expressed in CHO cells on the rat brain.
50010248	5	ChEMBL_48101 (CHEMBL663088)	Compound was tested for binding affinity against Cholecystokinin type B receptor on guinea pig cortex in experiment 2
50010252	4	ChEMBL_61577 (CHEMBL675091)	In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue.
50032216	23	ChEMBL_660974 (CHEMBL1249641)	Inhibition of Aurora A kinase
50032216	2	ChEMBL_660972 (CHEMBL1249639)	Inhibition of phosphorylated Abl
50032216	26	ChEMBL_660979 (CHEMBL1249646)	Inhibition of Abl kinase
50032220	7	ChEMBL_654586 (CHEMBL1243630)	Inhibition of human insulin receptor-mediated Poly Glu4Tyr phosphorylation by ELISA
50032220	4	ChEMBL_654591 (CHEMBL1243635)	Inhibition of IGF1R-mediated colony formation in human LNCaP cells after 12 days by MTT assay
50032220	5	ChEMBL_654592 (CHEMBL1243636)	Inhibition of IGF1R-mediated colony formation in human MCF7 cells after 12 days by MTT assay
50032220	8	ChEMBL_654593 (CHEMBL1243637)	Inhibition of IGF1R-mediated colony formation in human PC3 cells after 12 days by MTT assay
50032226	22	ChEMBL_655044 (CHEMBL1244088)	Inhibition of human insulin receptor
50032226	23	ChEMBL_655037 (CHEMBL1244081)	Inhibition of human VEGFR3
50032226	24	ChEMBL_655048 (CHEMBL1244092)	Inhibition of human CDK1
50032227	46	ChEMBL_655293 (CHEMBL1244337)	Inhibition of LYNB
50032227	47	ChEMBL_655295 (CHEMBL1244339)	Inhibition of MINK1
50032230	362	ChEMBL_655879 (CHEMBL1244923)	Binding affinity to PIM2
50032230	363	ChEMBL_655729 (CHEMBL1244773)	Binding affinity to CLK4
50032230	364	ChEMBL_655446 (CHEMBL1244490)	Binding affinity to MAP3K15
50032230	365	ChEMBL_655742 (CHEMBL1244786)	Binding affinity to DAPK2
50032230	366	ChEMBL_655709 (CHEMBL1244753)	Binding affinity to CAMKK1
50032230	367	ChEMBL_655741 (CHEMBL1244785)	Binding affinity to DAPK1
50032230	368	ChEMBL_655426 (CHEMBL1244470)	Binding affinity to JNK2
50032230	369	ChEMBL_655752 (CHEMBL1244796)	Binding affinity to DRAK1
50032230	370	ChEMBL_655701 (CHEMBL1244745)	Binding affinity to CAMK1
50032230	371	ChEMBL_655942 (CHEMBL1244986)	Binding affinity to SRPK3
50032230	372	ChEMBL_655916 (CHEMBL1244960)	Binding affinity to RIPK4
50032230	373	ChEMBL_655891 (CHEMBL1244935)	Binding affinity to PLK4
50032230	374	ChEMBL_655899 (CHEMBL1244943)	Binding affinity to PRKG1
50032230	375	ChEMBL_655967 (CHEMBL1245011)	Binding affinity to TRKB
50032230	376	ChEMBL_655684 (CHEMBL1244728)	Binding affinity to ASK2
50032230	377	ChEMBL_655986 (CHEMBL1245030)	Binding affinity to ZAK
50032230	378	ChEMBL_655978 (CHEMBL1245022)	Binding affinity to VEGFR2
50032230	379	ChEMBL_655970 (CHEMBL1245014)	Binding affinity to TTK
50032230	380	ChEMBL_655504 (CHEMBL1244548)	Binding affinity to p38-gamma
50032230	381	ChEMBL_655721 (CHEMBL1244765)	Binding affinity to CDKL3
50032230	382	ChEMBL_655467 (CHEMBL1244511)	Binding affinity to MERTK
50032230	383	ChEMBL_655486 (CHEMBL1244530)	Binding affinity to MYLK
50032230	384	ChEMBL_655487 (CHEMBL1244531)	Binding affinity to MYLK2
50032230	385	ChEMBL_655987 (CHEMBL1245031)	Binding affinity to ZAP70
50032230	386	ChEMBL_655792 (CHEMBL1244836)	Binding affinity to FER
50032230	387	ChEMBL_655773 (CHEMBL1244817)	Binding affinity to EPHA6
50032230	388	ChEMBL_655476 (CHEMBL1244520)	Binding affinity to MLK2
50032230	389	ChEMBL_655437 (CHEMBL1244481)	Binding affinity to LIMK1
50032230	390	ChEMBL_655712 (CHEMBL1244756)	Binding affinity to CDC2L2
50032230	391	ChEMBL_655882 (CHEMBL1244926)	Binding affinity to PIP5K2B
50032230	392	ChEMBL_655907 (CHEMBL1244951)	Binding affinity to RET
50032230	393	ChEMBL_655695 (CHEMBL1244739)	Binding affinity to BRAF
50032230	394	ChEMBL_655415 (CHEMBL1244459)	Binding affinity to IKK-epsilon
50032230	395	ChEMBL_655751 (CHEMBL1244795)	Binding affinity to DMPK2
50032230	396	ChEMBL_655948 (CHEMBL1244992)	Binding affinity to SYK
50032230	397	ChEMBL_655817 (CHEMBL1244861)	Binding affinity to HCK
50032230	296	ChEMBL_655654 (CHEMBL1244698)	Inhibition of FLT3 autophosphorylation in human RS4-11 cells after 2 hrs by electrochemiluminescence assay
50032230	398	ChEMBL_655937 (CHEMBL1244981)	Binding affinity to SNARK
50032230	399	ChEMBL_655789 (CHEMBL1244833)	Binding affinity to ERK8
50032230	400	ChEMBL_655926 (CHEMBL1244970)	Binding affinity to RPS6KA4(Kin.Dom.2-C-terminal)
50032230	401	ChEMBL_655940 (CHEMBL1244984)	Binding affinity to SRPK1
50032230	402	ChEMBL_655820 (CHEMBL1244864)	Binding affinity to HIPK3
50032230	403	ChEMBL_655945 (CHEMBL1244989)	Binding affinity to STK35
50032230	404	ChEMBL_655523 (CHEMBL1244567)	Binding affinity to PIK3CA
50032230	405	ChEMBL_655750 (CHEMBL1244794)	Binding affinity to DMPK
50032230	406	ChEMBL_655458 (CHEMBL1244502)	Binding affinity to MARK3
50032230	407	ChEMBL_655427 (CHEMBL1244471)	Binding affinity to JNK3
50032230	408	ChEMBL_655440 (CHEMBL1244484)	Binding affinity to LOK
50032230	409	ChEMBL_655877 (CHEMBL1244921)	Binding affinity to PIK4CB
50032230	410	ChEMBL_655448 (CHEMBL1244492)	Binding affinity to MAP3K3
50032230	411	ChEMBL_655465 (CHEMBL1244509)	Binding affinity to MEK6
50032230	412	ChEMBL_655460 (CHEMBL1244504)	Binding affinity to MAST1
50032230	413	ChEMBL_655898 (CHEMBL1244942)	Binding affinity to PRKD3
50032230	414	ChEMBL_655890 (CHEMBL1244934)	Binding affinity to PLK3
50032230	415	ChEMBL_655445 (CHEMBL1244489)	Binding affinity to MAP3K1
50032230	416	ChEMBL_655468 (CHEMBL1244512)	Binding affinity to MET
50032230	417	ChEMBL_655784 (CHEMBL1244828)	Binding affinity to ERK1
50032230	418	ChEMBL_655720 (CHEMBL1244764)	Binding affinity to CDKL2
50032230	419	ChEMBL_655918 (CHEMBL1244962)	Binding affinity to ROCK2
50032230	420	ChEMBL_655416 (CHEMBL1244460)	Binding affinity to INSR
50032230	421	ChEMBL_655740 (CHEMBL1244784)	Binding affinity to CTK
50032230	422	ChEMBL_655424 (CHEMBL1244468)	Binding affinity to JH1 catalytic domain of JAK3
50032230	423	ChEMBL_655743 (CHEMBL1244787)	Binding affinity to DAPK3
50032230	424	ChEMBL_655748 (CHEMBL1244792)	Binding affinity to DDR2
50032230	425	ChEMBL_655728 (CHEMBL1244772)	Binding affinity to CLK3
50032230	426	ChEMBL_655723 (CHEMBL1244767)	Binding affinity to CHEK1
50032230	427	ChEMBL_655799 (CHEMBL1244843)	Binding affinity to FGR
50032230	428	ChEMBL_655489 (CHEMBL1244533)	Binding affinity to MYO3B
50032230	429	ChEMBL_655710 (CHEMBL1244754)	Binding affinity to CAMKK2
50032230	430	ChEMBL_655975 (CHEMBL1245019)	Binding affinity to ULK1
50032230	431	ChEMBL_655707 (CHEMBL1244751)	Binding affinity to CAMK2G
50032230	432	ChEMBL_655791 (CHEMBL1244835)	Binding affinity to FAK
50032230	433	ChEMBL_655481 (CHEMBL1244525)	Binding affinity to MST1R
50032230	434	ChEMBL_655498 (CHEMBL1244542)	Binding affinity to NIM1
50032230	435	ChEMBL_655490 (CHEMBL1244534)	Binding affinity to NDR1
50032230	436	ChEMBL_655478 (CHEMBL1244522)	Binding affinity to MRCKA
50032230	437	ChEMBL_655754 (CHEMBL1244798)	Binding affinity to DYRK1A
50032230	438	ChEMBL_655471 (CHEMBL1244515)	Binding affinity to MINK
50032230	439	ChEMBL_655438 (CHEMBL1244482)	Binding affinity to LIMK2
50032230	440	ChEMBL_655768 (CHEMBL1244812)	Binding affinity to EPHA1
50032230	441	ChEMBL_655434 (CHEMBL1244478)	Binding affinity to LATS1
50032230	442	ChEMBL_655717 (CHEMBL1244761)	Binding affinity to CDK7
50032230	443	ChEMBL_655888 (CHEMBL1244932)	Binding affinity to PLK1
50032230	444	ChEMBL_655457 (CHEMBL1244501)	Binding affinity to MARK2
50032230	445	ChEMBL_655456 (CHEMBL1244500)	Binding affinity to MARK1
50032230	446	ChEMBL_655718 (CHEMBL1244762)	Binding affinity to CDK8
50032230	447	ChEMBL_655753 (CHEMBL1244797)	Binding affinity to DRAK2
50032230	448	ChEMBL_655413 (CHEMBL1244457)	Binding affinity to IKK-alpha
50032230	449	ChEMBL_655880 (CHEMBL1244924)	Binding affinity to PIM3
50032230	450	ChEMBL_655732 (CHEMBL1244776)	Binding affinity to CSNK1A1L
50032230	451	ChEMBL_655739 (CHEMBL1244783)	Binding affinity to CSNK2A2
50032230	452	ChEMBL_655731 (CHEMBL1244775)	Binding affinity to CSK
50032230	453	ChEMBL_655435 (CHEMBL1244479)	Binding affinity to LATS2
50032230	454	ChEMBL_655497 (CHEMBL1244541)	Binding affinity to NEK9
50032230	455	ChEMBL_655713 (CHEMBL1244757)	Binding affinity to CDK11
50032230	456	ChEMBL_655794 (CHEMBL1244838)	Binding affinity to FGFR1
50032230	457	ChEMBL_655479 (CHEMBL1244523)	Binding affinity to MRCKB
50032230	458	ChEMBL_655769 (CHEMBL1244813)	Binding affinity to EPHA2
50032230	459	ChEMBL_655464 (CHEMBL1244508)	Binding affinity to MEK4
50032230	460	ChEMBL_655702 (CHEMBL1244746)	Binding affinity to CAMK1D
50032230	461	ChEMBL_655772 (CHEMBL1244816)	Binding affinity to EPHA5
50032230	462	ChEMBL_655783 (CHEMBL1244827)	Binding affinity to ERBB4
50032230	463	ChEMBL_655475 (CHEMBL1244519)	Binding affinity to MLK1
50032230	464	ChEMBL_655911 (CHEMBL1244955)	Binding affinity to RIOK1
50032230	465	ChEMBL_655482 (CHEMBL1244526)	Binding affinity to MST2
50032230	466	ChEMBL_655726 (CHEMBL1244770)	Binding affinity to CLK1
50032230	467	ChEMBL_655724 (CHEMBL1244768)	Binding affinity to CHEK2
50010260	4	ChEMBL_145389 (CHEMBL750079)	Inhibition against [3H]diprenorphine human Opioid receptor kappa 1
50010260	3	ChEMBL_145388 (CHEMBL750078)	Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1 at 10 umol/L
50010260	2	ChEMBL_145387 (CHEMBL750077)	Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1
50010260	1	ChEMBL_145390 (CHEMBL750080)	Inhibition against [3H]diprenorphine human Opioid receptor kappa 1 at 10 umol/L
50010262	4	ChEMBL_3573 (CHEMBL620706)	Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]GR-113808
50010262	2	ChEMBL_3570 (CHEMBL620703)	Binding affinity was determined against cloned 5-hydroxytryptamine 4D receptor isoform expressed in COS-7 cells
50010262	5	ChEMBL_3567 (CHEMBL620701)	Binding affinity was determined against cloned 5-hydroxytryptamine 4A receptor isoform expressed in COS-7 cells
50010262	7	ChEMBL_3568 (CHEMBL875082)	Binding affinity was determined against cloned 5-hydroxytryptamine 4B receptor isoform expressed in COS-7 cells
50032230	468	ChEMBL_655704 (CHEMBL1244748)	Binding affinity to CAMK2A
50010262	8	ChEMBL_3569 (CHEMBL620702)	Binding affinity was determined against cloned 5-hydroxytryptamine 4C receptor isoform expressed in COS-7 cells
50010262	3	ChEMBL_3502 (CHEMBL619172)	,Antagonism of stimulation of 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human atrial myocytes
50010262	6	ChEMBL_3499 (CHEMBL619169)	Concentration required to produce half-maximal response against 5-hydroxytryptamine receptor in the presence of 10 nM compound in isolated human atrial myocytes
50010262	1	ChEMBL_3500 (CHEMBL619170)	Concentration required to produce half-maximal response against 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human atrial myocytes
50032230	469	ChEMBL_655921 (CHEMBL1244965)	Binding affinity to RPS6KA1(Kin.Dom.2-C-terminal)
50032230	218	ChEMBL_655421 (CHEMBL1244465)	Binding affinity to JH1 catalytic domain JAK1
50032230	470	ChEMBL_655689 (CHEMBL1244733)	Binding affinity to BIKE
50032230	471	ChEMBL_655894 (CHEMBL1244938)	Binding affinity to PRKCH
50032230	472	ChEMBL_655441 (CHEMBL1244485)	Binding affinity to LTK
50032230	473	ChEMBL_655874 (CHEMBL1244918)	Binding affinity to PIK3CB
50032230	474	ChEMBL_655443 (CHEMBL1244487)	Binding affinity to LZK
50032230	475	ChEMBL_655896 (CHEMBL1244940)	Binding affinity to PRKD1
50032230	476	ChEMBL_655657 (CHEMBL1244701)	Binding affinity to AAK1
50032230	477	ChEMBL_655677 (CHEMBL1244721)	Binding affinity to AKT3
50032230	478	ChEMBL_655823 (CHEMBL1244867)	Binding affinity to HUNK
50032230	479	ChEMBL_655812 (CHEMBL1244856)	Binding affinity to GRK1
50032230	251	ChEMBL_655929 (CHEMBL1244973)	Binding affinity to RPS6KA6(Kin.Dom.1-N-terminal)
50032230	480	ChEMBL_655949 (CHEMBL1244993)	Binding affinity to TAK1
50032230	481	ChEMBL_655520 (CHEMBL1244564)	Binding affinity to PHKG2
50032230	482	ChEMBL_655954 (CHEMBL1244998)	Binding affinity to TEC
50032230	483	ChEMBL_655934 (CHEMBL1244978)	Binding affinity to SIK
50032230	484	ChEMBL_655494 (CHEMBL1244538)	Binding affinity to NEK5
50032230	485	ChEMBL_655777 (CHEMBL1244821)	Binding affinity to EPHB2
50032230	486	ChEMBL_655951 (CHEMBL1244995)	Binding affinity to TAOK1
50032230	487	ChEMBL_655492 (CHEMBL1244536)	Binding affinity to NEK1
50032230	488	ChEMBL_655519 (CHEMBL1244563)	Binding affinity to PHKG1
50032230	489	ChEMBL_655775 (CHEMBL1244819)	Binding affinity to EPHA8
50032230	490	ChEMBL_655671 (CHEMBL1244715)	Binding affinity to ACVR2B
50032230	491	ChEMBL_655788 (CHEMBL1244832)	Binding affinity to ERK5
50032230	492	ChEMBL_655786 (CHEMBL1244830)	Binding affinity to ERK3
50032230	493	ChEMBL_655737 (CHEMBL1244781)	Binding affinity to CSNK1G3
50032230	494	ChEMBL_655419 (CHEMBL1244463)	Binding affinity to IRAK3
50032230	495	ChEMBL_655770 (CHEMBL1244814)	Binding affinity to EPHA3
50032230	496	ChEMBL_655900 (CHEMBL1244944)	Binding affinity to PRKG2
50010264	3	ChEMBL_46458 (CHEMBL657905)	Binding affinity was determined for Cannabinoid receptor 1
50010264	2	ChEMBL_46990 (CHEMBL658959)	Binding affinity was determined for Cannabinoid receptor 2
50032230	497	ChEMBL_655454 (CHEMBL1244498)	Binding affinity to MAPKAPK2
50010264	1	ChEMBL_46991 (CHEMBL658960)	Binding affinity was determined for cannabinoid receptor 2
50032230	498	ChEMBL_655943 (CHEMBL1244987)	Binding affinity to STK16
50032230	499	ChEMBL_655883 (CHEMBL1244927)	Binding affinity to PKAC-alpha
50032230	500	ChEMBL_655678 (CHEMBL1244722)	Binding affinity to ALK
50032230	501	ChEMBL_655715 (CHEMBL1244759)	Binding affinity to CDK3
50032230	244	ChEMBL_655922 (CHEMBL1244966)	Binding affinity to RPS6KA2(Kin.Dom.1-N-terminal)
50032230	502	ChEMBL_655690 (CHEMBL1244734)	Binding affinity to BLK
50032230	503	ChEMBL_655973 (CHEMBL1245017)	Binding affinity to TYK2(JH2domain-pseudokinase)
50032230	504	ChEMBL_655824 (CHEMBL1244868)	Binding affinity to ICK
50032230	360	ChEMBL_655652 (CHEMBL1244696)	Binding affinity to FLT3 catalytic domain by KinomeScan kinase binding assay
50032230	505	ChEMBL_655698 (CHEMBL1244742)	Binding affinity to BRSK1
50032230	506	ChEMBL_655984 (CHEMBL1245028)	Binding affinity to YSK1
50032230	507	ChEMBL_655501 (CHEMBL1244545)	Binding affinity to p38-alpha
50032230	246	ChEMBL_655924 (CHEMBL1244968)	Binding affinity to RPS6KA3(Kin.Dom.1-N-terminal)
50032230	508	ChEMBL_655459 (CHEMBL1244503)	Binding affinity to MARK4
50032230	509	ChEMBL_655962 (CHEMBL1245006)	Binding affinity to TNIK
50032230	510	ChEMBL_655512 (CHEMBL1244556)	Binding affinity to PCTK2
50032230	511	ChEMBL_655912 (CHEMBL1244956)	Binding affinity to RIOK2
50032230	512	ChEMBL_655781 (CHEMBL1244825)	Binding affinity to ERBB2
50032230	513	ChEMBL_655933 (CHEMBL1244977)	Binding affinity to SgK110
50032230	514	ChEMBL_655932 (CHEMBL1244976)	Binding affinity to SgK085
50010269	1	ChEMBL_155660 (CHEMBL763044)	Inhibition of recombinant human PDE4A expressed in Sf9 cells
50010269	2	ChEMBL_155661 (CHEMBL763045)	Inhibition of recombinant human PDE4A expressed in Sf9 cells
50032230	515	ChEMBL_655938 (CHEMBL1244982)	Binding affinity to SRC
50032230	516	ChEMBL_655928 (CHEMBL1244972)	Binding affinity to RPS6KA5(Kin.Dom.2-C-terminal)
50032230	517	ChEMBL_655983 (CHEMBL1245027)	Binding affinity to YES
50032230	518	ChEMBL_655814 (CHEMBL1244858)	Binding affinity to GRK7
50032230	519	ChEMBL_655976 (CHEMBL1245020)	Binding affinity to ULK2
50032230	520	ChEMBL_655693 (CHEMBL1244737)	Binding affinity to BMPR2
50032230	521	ChEMBL_655673 (CHEMBL1244717)	Binding affinity to ADCK3
50032230	522	ChEMBL_655825 (CHEMBL1244869)	Binding affinity to IGF1R
50032230	523	ChEMBL_655965 (CHEMBL1245009)	Binding affinity to TNNI3K
50032230	524	ChEMBL_655682 (CHEMBL1244726)	Binding affinity to ARK5
50032230	525	ChEMBL_655688 (CHEMBL1244732)	Binding affinity to AXL
50032230	526	ChEMBL_655801 (CHEMBL1244845)	Binding affinity to FLT3
50032230	527	ChEMBL_655699 (CHEMBL1244743)	Binding affinity to BRSK2
50032230	528	ChEMBL_655508 (CHEMBL1244552)	Binding affinity to PAK4
50032230	529	ChEMBL_655956 (CHEMBL1245000)	Binding affinity to TGFBR1
50032230	530	ChEMBL_655901 (CHEMBL1244945)	Binding affinity to PRKR
50032230	531	ChEMBL_655905 (CHEMBL1244949)	Binding affinity to QSK
50032230	532	ChEMBL_655885 (CHEMBL1244929)	Binding affinity to PKMYT1
50032230	533	ChEMBL_655923 (CHEMBL1244967)	Binding affinity to RPS6KA2(Kin.Dom.2-C-terminal)
50032230	249	ChEMBL_655927 (CHEMBL1244971)	Binding affinity to RPS6KA5(Kin.Dom.1-N-terminal)
50032230	534	ChEMBL_655507 (CHEMBL1244551)	Binding affinity to PAK3
50032230	535	ChEMBL_655514 (CHEMBL1244558)	Binding affinity to PDGFRA
50032230	536	ChEMBL_655939 (CHEMBL1244983)	Binding affinity to SRMS
50010272	3	ChEMBL_216187 (CHEMBL818914)	In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta-3 receptor
50032230	537	ChEMBL_655667 (CHEMBL1244711)	Binding affinity to ABL2
50010272	2	ChEMBL_216046 (CHEMBL820722)	In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta1 receptor.
50032230	538	ChEMBL_655960 (CHEMBL1245004)	Binding affinity to TLK1
50010272	5	ChEMBL_216046 (CHEMBL820722)	In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta-1 receptor.
50032230	539	ChEMBL_655807 (CHEMBL1244851)	Binding affinity to FLT4
50032230	540	ChEMBL_655518 (CHEMBL1244562)	Binding affinity to PFTK1
50032230	541	ChEMBL_655819 (CHEMBL1244863)	Binding affinity to HIPK2
50032230	542	ChEMBL_655971 (CHEMBL1245015)	Binding affinity to TXK
50032230	543	ChEMBL_655503 (CHEMBL1244547)	Binding affinity to p38-delta
50032230	544	ChEMBL_655808 (CHEMBL1244852)	Binding affinity to FRK
50032230	545	ChEMBL_655982 (CHEMBL1245026)	Binding affinity to YANK3
50032230	546	ChEMBL_655428 (CHEMBL1244472)	Binding affinity to KIT
50032230	547	ChEMBL_655941 (CHEMBL1244985)	Binding affinity to SRPK2
50032230	548	ChEMBL_655727 (CHEMBL1244771)	Binding affinity to CLK2
50032230	2	ChEMBL_655703 (CHEMBL1244747)	Binding affinity to CAMK1G
50032230	549	ChEMBL_655420 (CHEMBL1244464)	Binding affinity to ITK
50032230	550	ChEMBL_655914 (CHEMBL1244958)	Binding affinity to RIPK1
50032230	551	ChEMBL_655444 (CHEMBL1244488)	Binding affinity to MAK
50032230	552	ChEMBL_655893 (CHEMBL1244937)	Binding affinity to PRKCE
50032230	553	ChEMBL_655506 (CHEMBL1244550)	Binding affinity to PAK2
50032230	19	ChEMBL_655474 (CHEMBL1244518)	Binding affinity to MLCK
50032230	554	ChEMBL_655502 (CHEMBL1244546)	Binding affinity to p38-beta
50032230	555	ChEMBL_655485 (CHEMBL1244529)	Binding affinity to MUSK
50032230	556	ChEMBL_655981 (CHEMBL1245025)	Binding affinity to YANK2
50032230	557	ChEMBL_655903 (CHEMBL1244947)	Binding affinity to PRP4
50032230	558	ChEMBL_655738 (CHEMBL1244782)	Binding affinity to CSNK2A1
50032230	559	ChEMBL_655455 (CHEMBL1244499)	Binding affinity to MAPKAPK5
50032230	560	ChEMBL_655716 (CHEMBL1244760)	Binding affinity to CDK5
50032230	561	ChEMBL_655418 (CHEMBL1244462)	Binding affinity to IRAK1
50032230	562	ChEMBL_655730 (CHEMBL1244774)	Binding affinity to CSF1R
50032230	563	ChEMBL_655686 (CHEMBL1244730)	Binding affinity to AURKB
50032230	564	ChEMBL_655925 (CHEMBL1244969)	Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)
50032230	565	ChEMBL_655505 (CHEMBL1244549)	Binding affinity to PAK1
50032230	566	ChEMBL_655813 (CHEMBL1244857)	Binding affinity to GRK4
50032230	567	ChEMBL_655516 (CHEMBL1244560)	Binding affinity to PDPK1
50032230	568	ChEMBL_655658 (CHEMBL1244702)	Binding affinity to ABL1
50032230	569	ChEMBL_655495 (CHEMBL1244539)	Binding affinity to NEK6
50032230	570	ChEMBL_655778 (CHEMBL1244822)	Binding affinity to EPHB3
50032230	571	ChEMBL_655484 (CHEMBL1244528)	Binding affinity to MST4
50032230	572	ChEMBL_655700 (CHEMBL1244744)	Binding affinity to BTK
50032230	573	ChEMBL_655669 (CHEMBL1244713)	Binding affinity to ACVR1B
50032230	574	ChEMBL_655463 (CHEMBL1244507)	Binding affinity to MEK3
50032230	575	ChEMBL_655746 (CHEMBL1244790)	Binding affinity to DCAMKL3
50032230	576	ChEMBL_655913 (CHEMBL1244957)	Binding affinity to RIOK3
50010275	1	ChEMBL_213305 (CHEMBL873883)	Inhibitory activity against Urokinase-type plasminogen activator
50032230	577	ChEMBL_655466 (CHEMBL1244510)	Binding affinity to MELK
50032230	578	ChEMBL_655892 (CHEMBL1244936)	Binding affinity to PRKCD
50010276	3	ChEMBL_145601 (CHEMBL749744)	Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand
50032230	579	ChEMBL_655447 (CHEMBL1244491)	Binding affinity to MAP3K2
50010276	2	ChEMBL_145104 (CHEMBL751988)	Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand
50032230	580	ChEMBL_655442 (CHEMBL1244486)	Binding affinity to LYN
50032230	581	ChEMBL_655745 (CHEMBL1244789)	Binding affinity to DCAMKL2
50032230	582	ChEMBL_655422 (CHEMBL1244466)	Binding affinity to JAK1 JH2 domain
50032230	583	ChEMBL_655936 (CHEMBL1244980)	Binding affinity to SLK
50032230	584	ChEMBL_655749 (CHEMBL1244793)	Binding affinity to DLK
50032230	585	ChEMBL_655725 (CHEMBL1244769)	Binding affinity to CIT
50032230	586	ChEMBL_655517 (CHEMBL1244561)	Binding affinity to PFTAIRE2
50032230	587	ChEMBL_655679 (CHEMBL1244723)	Binding affinity to AMPK-alpha1
50032230	588	ChEMBL_655668 (CHEMBL1244712)	Binding affinity to ACVR1
50032230	589	ChEMBL_655705 (CHEMBL1244749)	Binding affinity to CAMK2B
50032230	590	ChEMBL_655818 (CHEMBL1244862)	Binding affinity to HIPK1
50032230	591	ChEMBL_655496 (CHEMBL1244540)	Binding affinity to NEK7
50032230	592	ChEMBL_655736 (CHEMBL1244780)	Binding affinity to CSNK1G2
50032230	593	ChEMBL_655452 (CHEMBL1244496)	Binding affinity to MAP4K4
50032230	594	ChEMBL_655735 (CHEMBL1244779)	Binding affinity to CSNK1G1
50032230	595	ChEMBL_655902 (CHEMBL1244946)	Binding affinity to PRKX
50032230	596	ChEMBL_655453 (CHEMBL1244497)	Binding affinity to MAP4K5
50032230	597	ChEMBL_655439 (CHEMBL1244483)	Binding affinity to LKB1
50032230	598	ChEMBL_655906 (CHEMBL1244950)	Binding affinity to RAF1
50032230	599	ChEMBL_655779 (CHEMBL1244823)	Binding affinity to EPHB4
50032230	600	ChEMBL_655881 (CHEMBL1244925)	Binding affinity to PIP5K1A
50032230	601	ChEMBL_655757 (CHEMBL1244801)	Binding affinity to EGFR
50032230	602	ChEMBL_655714 (CHEMBL1244758)	Binding affinity to CDK2
50032230	603	ChEMBL_655417 (CHEMBL1244461)	Binding affinity to INSRR
50032230	604	ChEMBL_655674 (CHEMBL1244718)	Binding affinity to ADCK4
50032230	605	ChEMBL_655957 (CHEMBL1245001)	Binding affinity to TGFBR2
50032230	606	ChEMBL_655968 (CHEMBL1245012)	Binding affinity to TRKC
50032230	607	ChEMBL_655685 (CHEMBL1244729)	Binding affinity to AURKA
50032230	608	ChEMBL_655935 (CHEMBL1244979)	Binding affinity to SIK2
50032230	609	ChEMBL_655946 (CHEMBL1244990)	Binding affinity to STK36
50032230	610	ChEMBL_655462 (CHEMBL1244506)	Binding affinity to MEK2
50032230	611	ChEMBL_655425 (CHEMBL1244469)	Binding affinity to JNK1
50032230	612	ChEMBL_655708 (CHEMBL1244752)	Binding affinity to CAMK4
50032230	613	ChEMBL_655930 (CHEMBL1244974)	Binding affinity to RPS6KA6(Kin.Dom.2-C-terminal)
50010277	1	ChEMBL_145606 (CHEMBL749749)	Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.
50032230	614	ChEMBL_655706 (CHEMBL1244750)	Binding affinity to CAMK2D
50032230	615	ChEMBL_655747 (CHEMBL1244791)	Binding affinity to DDR1
50032230	616	ChEMBL_655722 (CHEMBL1244766)	Binding affinity to CDKL5
50032230	617	ChEMBL_655919 (CHEMBL1244963)	Binding affinity to ROS1
50010277	2	ChEMBL_145110 (CHEMBL857684)	Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.
50032230	618	ChEMBL_655687 (CHEMBL1244731)	Binding affinity to AURKC
50032230	619	ChEMBL_655449 (CHEMBL1244493)	Binding affinity to MAP3K4
50032230	620	ChEMBL_655423 (CHEMBL1244467)	Binding affinity to JH1 catalytic domain JAK2
50032230	621	ChEMBL_655522 (CHEMBL1244566)	Binding affinity to PIK3C2G
50032230	622	ChEMBL_655958 (CHEMBL1245002)	Binding affinity to TIE1
50032230	623	ChEMBL_655675 (CHEMBL1244719)	Binding affinity to AKT1
50032230	624	ChEMBL_655821 (CHEMBL1244865)	Binding affinity to HIPK4
50032230	625	ChEMBL_655511 (CHEMBL1244555)	Binding affinity to PCTK1
50032230	626	ChEMBL_655947 (CHEMBL1244991)	Binding affinity to STK39
50032230	627	ChEMBL_655810 (CHEMBL1244854)	Binding affinity to GAK
50032230	628	ChEMBL_655436 (CHEMBL1244480)	Binding affinity to LCK
50032230	629	ChEMBL_655719 (CHEMBL1244763)	Binding affinity to CDK9
50032230	630	ChEMBL_655887 (CHEMBL1244931)	Binding affinity to PKN2
50032230	631	ChEMBL_655734 (CHEMBL1244778)	Binding affinity to CSNK1E
50032230	632	ChEMBL_655451 (CHEMBL1244495)	Binding affinity to MAP4K3
50032230	633	ChEMBL_655756 (CHEMBL1244800)	Binding affinity to DYRK2
50032230	634	ChEMBL_655733 (CHEMBL1244777)	Binding affinity to CSNK1D
50032230	635	ChEMBL_655897 (CHEMBL1244941)	Binding affinity to PRKD2
50032230	636	ChEMBL_655450 (CHEMBL1244494)	Binding affinity to MAP4K2
50032230	637	ChEMBL_655904 (CHEMBL1244948)	Binding affinity to PYK2
50032230	638	ChEMBL_655414 (CHEMBL1244458)	Binding affinity to IKK-beta
50032230	639	ChEMBL_655509 (CHEMBL1244553)	Binding affinity to PAK6
50032230	640	ChEMBL_655676 (CHEMBL1244720)	Binding affinity to AKT2
50010279	1	ChEMBL_201909 (CHEMBL808199)	Binding affinity was measured on Sigma receptor type 1 with guinea pig membranes and [3H]- pentazocine as ligand.
50010279	2	ChEMBL_202060 (CHEMBL813143)	Binding affinity was measured on Sigma receptor type 2 with rat liver membranes and [3H]- DTG as ligand.
50032230	641	ChEMBL_655980 (CHEMBL1245024)	Binding affinity to WEE2
50032230	642	ChEMBL_655477 (CHEMBL1244521)	Binding affinity to MLK3
50032230	643	ChEMBL_655711 (CHEMBL1244755)	Binding affinity to CDC2L1
50032230	644	ChEMBL_655488 (CHEMBL1244532)	Binding affinity to MYO3A
50032230	645	ChEMBL_655473 (CHEMBL1244517)	Binding affinity to MKNK2
50032230	646	ChEMBL_655499 (CHEMBL1244543)	Binding affinity to NLK
50032230	647	ChEMBL_655959 (CHEMBL1245003)	Binding affinity to TIE2
50032230	648	ChEMBL_655461 (CHEMBL1244505)	Binding affinity to MEK1
50032230	649	ChEMBL_655744 (CHEMBL1244788)	Binding affinity to DCAMKL1
50032230	650	ChEMBL_655876 (CHEMBL1244920)	Binding affinity to PIK3CG
50032230	651	ChEMBL_655915 (CHEMBL1244959)	Binding affinity to RIPK2
50032230	652	ChEMBL_655515 (CHEMBL1244559)	Binding affinity to PDGFRB
50032230	653	ChEMBL_655809 (CHEMBL1244853)	Binding affinity to FYN
50032230	654	ChEMBL_655795 (CHEMBL1244839)	Binding affinity to FGFR2
50032230	655	ChEMBL_655500 (CHEMBL1244544)	Binding affinity to OSR1
50032230	656	ChEMBL_655816 (CHEMBL1244860)	Binding affinity to GSK3B
50032230	657	ChEMBL_655815 (CHEMBL1244859)	Binding affinity to GSK3A
50032230	658	ChEMBL_655822 (CHEMBL1244866)	Binding affinity to HPK1
50032230	659	ChEMBL_655510 (CHEMBL1244554)	Binding affinity to PAK7
50032230	660	ChEMBL_655790 (CHEMBL1244834)	Binding affinity to ERN1
50032230	661	ChEMBL_655800 (CHEMBL1244844)	Binding affinity to FLT1
50032230	662	ChEMBL_655521 (CHEMBL1244565)	Binding affinity to PIK3C2B
50032230	663	ChEMBL_655875 (CHEMBL1244919)	Binding affinity to PIK3CD
50032230	664	ChEMBL_655895 (CHEMBL1244939)	Binding affinity to PRKCQ
50032230	665	ChEMBL_655691 (CHEMBL1244735)	Binding affinity to BMPR1A
50032230	666	ChEMBL_655974 (CHEMBL1245018)	Binding affinity to TYRO3
50032230	667	ChEMBL_655963 (CHEMBL1245007)	Binding affinity to TNK1
50032230	668	ChEMBL_655680 (CHEMBL1244724)	Binding affinity to AMPK-alpha2
50032230	669	ChEMBL_655483 (CHEMBL1244527)	Binding affinity to MST3
50032230	670	ChEMBL_655886 (CHEMBL1244930)	Binding affinity to PKN1
50032230	671	ChEMBL_655472 (CHEMBL1244516)	Binding affinity to MKNK1
50032230	672	ChEMBL_655755 (CHEMBL1244799)	Binding affinity to DYRK1B
50032230	673	ChEMBL_655796 (CHEMBL1244840)	Binding affinity to FGFR3
50032230	674	ChEMBL_655944 (CHEMBL1244988)	Binding affinity to STK33
50032230	675	ChEMBL_655785 (CHEMBL1244829)	Binding affinity to ERK2
50032230	676	ChEMBL_655931 (CHEMBL1244975)	Binding affinity to SBK1
50010285	3	ChEMBL_71287 (CHEMBL684991)	Binding affinity for Glyoxalase I
50010285	1	ChEMBL_149564 (CHEMBL757477)	Binding affinity on Pseudomonas putida glyoxalase I (GlxI) was determined
50010285	2	ChEMBL_71286 (CHEMBL684427)	Binding affinity on yeast glyoxalase I (GlxI) was determined
50032230	677	ChEMBL_655969 (CHEMBL1245013)	Binding affinity to TSSK1B
50032230	678	ChEMBL_655985 (CHEMBL1245029)	Binding affinity to YSK4
50032230	679	ChEMBL_655697 (CHEMBL1244741)	Binding affinity to BRK
50032230	680	ChEMBL_655961 (CHEMBL1245005)	Binding affinity to TLK2
50032230	175	ChEMBL_655972 (CHEMBL1245016)	Binding affinity to TYK2(JH1domain-catalytic)
50032230	681	ChEMBL_655952 (CHEMBL1244996)	Binding affinity to TAOK3
50032230	242	ChEMBL_655920 (CHEMBL1244964)	Binding affinity to RPS6KA1(Kin.Dom.1-N-terminal)
50032230	682	ChEMBL_655692 (CHEMBL1244736)	Binding affinity to BMPR1B
50032230	157	ChEMBL_655950 (CHEMBL1244994)	Binding affinity to TAO1
50032230	683	ChEMBL_655681 (CHEMBL1244725)	Binding affinity to ANKK1
50032230	684	ChEMBL_655964 (CHEMBL1245008)	Binding affinity to TNK2
50032230	685	ChEMBL_655979 (CHEMBL1245023)	Binding affinity to WEE1
50010287	2	ChEMBL_28876 (CHEMBL645946)	Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells
50032230	686	ChEMBL_655953 (CHEMBL1244997)	Binding affinity to TBK1
50032230	687	ChEMBL_655670 (CHEMBL1244714)	Binding affinity to ACVR2A
50032230	688	ChEMBL_655480 (CHEMBL1244524)	Binding affinity to MST1
50032230	689	ChEMBL_655917 (CHEMBL1244961)	Binding affinity to ROCK1
50010289	4	ChEMBL_91941 (CHEMBL704106)	Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.
50010289	2	ChEMBL_97281 (CHEMBL711777)	Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical interaction assay
50010289	1	ChEMBL_91811 (CHEMBL700382)	Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.
50010289	3	ChEMBL_97282 (CHEMBL711778)	Inhibition against binding of LFA-1 to ICAM-1
50010291	3	ChEBML_138706	Binding affinity against Muscarinic acetylcholine receptor M3 expressed in CHO-K1 cells
50010291	1	ChEBML_139765	Binding affinity against Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells.
50010291	2	ChEBML_138413	Binding affinity against Muscarinic acetylcholine receptor M1 expressed in CHO-K1 cells
50032230	690	ChEMBL_655513 (CHEMBL1244557)	Binding affinity to PCTK3
50032230	691	ChEMBL_655782 (CHEMBL1244826)	Binding affinity to ERBB3
50032230	692	ChEMBL_655774 (CHEMBL1244818)	Binding affinity to EPHA7
50032230	693	ChEMBL_655694 (CHEMBL1244738)	Binding affinity to BMX
50010295	4	ChEBML_215474	Compound was evaluated for its inhibitory activity against VRS (valyl tRNA synthetase) from staphylococcus aureus WCUH29
50010295	2	ChEBML_88824	Compound was evaluated for its inhibitory activity against Isoleucyl-tRNA synthetase from rat liver
50032230	694	ChEMBL_655966 (CHEMBL1245010)	Binding affinity to TRKA
50032230	695	ChEMBL_655977 (CHEMBL1245021)	Binding affinity to ULK3
50010295	1	ChEBML_98547	Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29
50032230	696	ChEMBL_655683 (CHEMBL1244727)	Binding affinity to ASK1
50032230	697	ChEMBL_655672 (CHEMBL1244716)	Binding affinity to ACVRL1
50032230	698	ChEMBL_655491 (CHEMBL1244535)	Binding affinity to NDR2
50032230	699	ChEMBL_655955 (CHEMBL1244999)	Binding affinity to TESK1
50032230	700	ChEMBL_655878 (CHEMBL1244922)	Binding affinity to PIM1
50032230	701	ChEMBL_655780 (CHEMBL1244824)	Binding affinity to EPHB6
50032230	702	ChEMBL_655793 (CHEMBL1244837)	Binding affinity to FES
50010299	2	ChEBML_38910	Compound was evaluated for its inhibitory activity against human beta-3 adrenergic receptor (AR) at a concentration of 100 nM
50010299	1	ChEMBL_38909 (CHEMBL652012)	Inhibitory activity against human beta-3 adrenergic receptor (AR)
50010299	12	ChEMBL_37247 (CHEMBL651568)	Compound was evaluated for its inhibitory activity against human Beta-1 adrenergic receptor
50010299	10	ChEMBL_38259 (CHEMBL884032)	Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta-1 adrenergic receptor (AR) in the presence of [125I]-iodocyanopindolol
50032230	703	ChEMBL_655889 (CHEMBL1244933)	Binding affinity to PLK2
50032230	704	ChEMBL_655771 (CHEMBL1244815)	Binding affinity to EPHA4
50032230	705	ChEMBL_655884 (CHEMBL1244928)	Binding affinity to PKAC-beta
50032230	706	ChEMBL_655798 (CHEMBL1244842)	Binding affinity to FGFR4
50010300	4	ChEBML_3621	Binding affinity against human 5-hydroxytryptamine 6 receptor stably transfected to HEK 293 human embryonic kidney cells using [3H]-lysergic acid diethylamide as radioligand
50010300	5	ChEBML_933	Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1A receptor
50010300	1	ChEBML_1352	Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1B receptor
50010300	8	ChEBML_2834	Compound was evaluated for its binding affinity for rat 5-hydroxytryptamine 2C receptor
50010300	3	ChEBML_2653	Compound was evaluated for its binding affinity for rat 5-hydroxytryptamine 2A receptor
50010300	2	ChEBML_2052	Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 1E receptor
50010300	7	ChEBML_3694	Compound was evaluated for its binding affinity for human 5-hydroxytryptamine 7 receptor
50010302	2	ChEBML_155406	In vitro inhibitory activity against plasmin
50010302	1	ChEBML_209068	In vitro inhibitory activity against Thrombin (FIIa)
50032230	707	ChEMBL_655493 (CHEMBL1244537)	Binding affinity to NEK2
50010302	5	ChEBML_212696	In vitro inhibitory activity against Human trypsin
50032230	708	ChEMBL_655776 (CHEMBL1244820)	Binding affinity to EPHB1
50010306	1	ChEBML_209040	Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand
50010306	4	ChEMBL_209040 (CHEMBL815486)	Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligand
50032230	709	ChEMBL_655787 (CHEMBL1244831)	Binding affinity to ERK4
50010307	2	ChEBML_205878	Inhibitory activity against human tachykinin receptor 1
50010307	1	ChEBML_209041	Inhibitory activity against human tachykinin receptor 2
50010308	1	ChEBML_63777	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50010311	1	ChEBML_210829	Inhibitory potency against tryptase
50010311	5	ChEBML_208334	Inhibitory potency against thrombin
50010311	4	ChEBML_212894	Inhibitory potency against trypsin
50010311	2	ChEBML_155238	Inhibitory potency against plasmin
50010312	5	ChEBML_208335	Compound was evaluated for its inhibitory potency against thrombin
50010312	2	ChEBML_155239	Compound was evaluated for its inhibitory potency against plasmin
50010312	3	ChEBML_212895	Compound was evaluated for its inhibitory potency against trypsin
50010315	1	ChEBML_33728	Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1A adrenergic receptor
50010315	3	ChEBML_32442	Compound was evaluated for its binding affinity to COS cell membrane expressing the human Alpha-1D adrenergic receptor
50010315	2	ChEBML_34342	Compound was evaluated for its binding affinity towards COS cell membrane expressing the human Alpha-1B adrenergic receptor
50010316	1	ChEBML_86906	In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]histamine from synaptosomes of rat cerebral cortex
50010320	2	ChEMBL_144176 (CHEMBL749557)	Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7
50010320	3	ChEMBL_143700 (CHEMBL756000)	Binding affinity in rat forebrain against Nicotinic acetylcholine receptor alpha4-beta2
50010320	4	ChEMBL_217795 (CHEMBL824055)	binding affinity in rat hippocampi against alpha7 nicotinic receptor
50010320	5	ChEMBL_144177 (CHEMBL749558)	Binding affinity in rat hippocampi against Nicotinic acetylcholine receptor alpha7; value range is 1000.
50010320	1	ChEMBL_144045 (CHEMBL751079)	Potency was determined by measuring current activation in Xenopus oocytes expressing rat alpha-7 nAChRs
50010320	8	ChEMBL_217464 (CHEMBL821651)	binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor
50010320	6	ChEMBL_217465 (CHEMBL821652)	binding affinity in rat forebrain against alpha4-beta2 nicotinic receptor; value range is 1000.
50010321	3	ChEMBL_105244 (CHEMBL712574)	Binding affinity for melatonin receptor type 1B, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand)
50010321	2	ChEMBL_104944 (CHEMBL713111)	Binding affinity for human melatonin receptor type 1A, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand)
50010322	7	ChEMBL_208726 (CHEMBL809417)	Inhibition of thrombin
50010322	4	ChEMBL_48967 (CHEMBL661678)	In vitro inhibition of coagulation factor Xa.
50010322	6	ChEMBL_213033 (CHEMBL816971)	In vitro inhibitory activity against trypsin
50010322	5	ChEMBL_222781 (CHEMBL847110)	Compound was tested for in vitro inhibitory activity against plasmin
50010322	8	ChEMBL_208727 (CHEMBL883500)	Compound was tested for in vitro inhibitory activity against trypsin
50010322	1	ChEMBL_27864 (CHEMBL642289)	Compound was tested for in vitro inhibitory activity against activated protein C
50010322	2	ChEMBL_155408 (CHEMBL766110)	Compound was tested for in vitro inhibitory activity against plasmin
50010322	3	ChEMBL_160985 (CHEMBL769325)	Compound was tested for in vitro inhibitory activity against Prothrombinase
50010323	5	ChEMBL_28279 (CHEMBL645820)	Inhibition of AGT activity to 50% of control rate in HT-29 cell extract
50010323	6	ChEMBL_28285 (CHEMBL645826)	concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.
50010323	2	ChEMBL_28283 (CHEMBL645824)	concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells
50010323	1	ChEMBL_28280 (CHEMBL645821)	concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.
50010323	7	ChEMBL_28284 (CHEMBL645825)	concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells. 
50010323	3	ChEMBL_28400 (CHEMBL636819)	concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells. 
50010323	4	ChEMBL_223549 (CHEMBL845855)	concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.
50010324	1	ChEMBL_151867 (CHEMBL759581)	In vitro inhibition against human full length PARP protein
50010324	2	ChEMBL_151872 (CHEMBL763796)	In vitro inhibition against PARP L713F protein
50010324	3	ChEMBL_151873 (CHEMBL763797)	In vitro inhibition against human full length PARP protein
50032235	9	ChEMBL_659667 (CHEMBL1246089)	Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis
50032235	11	ChEMBL_659677 (CHEMBL1246099)	Inhibition of GST-tagged recombinant CDK1 after 20 mins by autoradiography
50032235	10	ChEMBL_659671 (CHEMBL1246093)	Inhibition of Bcr-Abl after 20 mins by autoradiography
50032250	30	ChEMBL_659351 (CHEMBL1247978)	Inhibition of aurora B in human HeLa cells assessed as increase of >= 4N DNA level after 24 hrs by Hoechst staining
50032250	2	ChEMBL_659328 (CHEMBL1247955)	Inhibition of Aurora B by HTRF assay
50032250	31	ChEMBL_659354 (CHEMBL1247981)	Inhibition of CDK1 by HTRF assay
50032254	2	ChEMBL_659819 (CHEMBL1246709)	Activation of human GLP1 receptor expressed in HEK293 cells assessed as increase in cAMP accumulation
50032265	2	ChEMBL_657633 (CHEMBL1247401)	Displacement of [125I]-(Tyr2)-NDP-MSH from MC1 receptor in mouse B16/F1 cells
50032273	64	ChEMBL_658541 (CHEMBL1247743)	Binding affinity to human recombinant COX1
50032273	65	ChEMBL_658525 (CHEMBL1247727)	Binding affinity to human recombinant adrenergic beta2 receptor
50032273	1	ChEMBL_658518 (CHEMBL1247720)	Inhibition of human ERG
50032273	66	ChEMBL_658577 (CHEMBL1247910)	Binding affinity to human recombinant opiate delta receptor
50032273	67	ChEMBL_658529 (CHEMBL1247731)	Binding affinity to human recombinant alpha2b receptor
50032273	68	ChEMBL_658562 (CHEMBL1247895)	Binding affinity to human recombinant melanocortin MC3 receptor
50032295	5	ChEMBL_661795 (CHEMBL1252028)	Agonist activity at mGlu1 receptor expressed in CHO cells assessed as myo-[2-3H]Inositol turnover by scintillation counting
50032319	19	ChEMBL_663751 (CHEMBL1250651)	Inhibition of IR
50032333	5	ChEMBL_664339 (CHEMBL1259488)	Binding affinity to kappa opioid receptor
50032333	6	ChEMBL_664323 (CHEMBL1259358)	Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding
50032333	7	ChEMBL_664321 (CHEMBL1259356)	Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding
50032343	13	ChEMBL_664540 (CHEMBL1260081)	Inhibition of CYP2A6
50010331	2	ChEMBL_28556 (CHEMBL641008)	Inhibition of Hamster Liver mitochondrial ALDH-2
50032358	7	ChEMBL_664761 (CHEMBL1259371)	Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay
50032358	3	ChEMBL_664765 (CHEMBL1259375)	Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiology
50032358	4	ChEMBL_664766 (CHEMBL1259376)	Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiology
50010331	1	ChEMBL_28557 (CHEMBL641178)	Compound was evaluated for the inhibition of Hamster Liver mitochondrial ALDH-2
50032358	2	ChEMBL_664764 (CHEMBL1259374)	Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -75 mV holding potential by patch-clamp electrophysiology
50032358	8	ChEMBL_664767 (CHEMBL1259377)	Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiology
50032364	44	ChEMBL_664911 (CHEMBL1259743)	Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay
50032364	45	ChEMBL_664949 (CHEMBL1259781)	Binding affinity to human delta opioid receptor
50032364	46	ChEMBL_664940 (CHEMBL1259772)	Binding affinity to human adrenergic alpha2B receptor
50032369	3	ChEMBL_665032 (CHEMBL1260142)	Inhibition of FAS
50032369	2	ChEMBL_665033 (CHEMBL1260143)	Inhibition of FAS at 1000 uM
50010340	1	ChEMBL_143676 (CHEMBL857689)	Affinity for human neuropeptide Y receptor Y5, binding was evaluated in an in vitro radioligand [125I]PYY binding assay
50032370	39	ChEMBL_665036 (CHEMBL1260146)	Inhibition of AurA
50032370	40	ChEMBL_665068 (CHEMBL1260178)	Inhibition of IR
50032370	41	ChEMBL_665064 (CHEMBL1260174)	Inhibition of CHK1
50032370	38	ChEMBL_665072 (CHEMBL1260182)	Inhibition of CDK2/cyclinA
50032370	42	ChEMBL_665089 (CHEMBL1260199)	Inhibition of aurora B
50032370	43	ChEMBL_665050 (CHEMBL1260160)	Inhibition of VEGFR3
50023407	4	ChEMBL_525607 (CHEMBL970018)	Inhibition of rat recombinant DNA polymerase beta after 60 mins in presence of 0.1 mg/mL BSA
50023407	6	ChEMBL_525608 (CHEMBL970019)	Inhibition of rat recombinant DNA polymerase beta after 60 mins
50023407	5	ChEMBL_525609 (CHEMBL972900)	Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 mg/mL BSA
50023407	1	ChEMBL_525610 (CHEMBL972901)	Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of activated calf thymus DNA and 0.1 mg/mL BSA
50023407	2	ChEMBL_525611 (CHEMBL972902)	Inhibition of rat recombinant DNA polymerase beta after 20 mins by noncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA
50023407	3	ChEMBL_525612 (CHEMBL972903)	Inhibition of rat recombinant DNA polymerase beta after 20 mins by uncompetitive inhibition assay in presence of [3H]dTTP and 0.1 mg/mL BSA
50010345	7	ChEBML_212352	The compound was evaluated for the inhibitory activity against trypsin
50010345	2	ChEBML_45353	The compound was evaluated for the inhibitory activity against cathepsin G
50010345	5	ChEBML_216446	The compound was evaluated for the inhibitory activity against alpha-chymotrypsin
50010345	6	ChEBML_63815	The compound was evaluated for the inhibitory activity against human neutrophil elastase
50010345	8	ChEMBL_197658 (CHEMBL807468)	Inhibitory activity against human serine protease chymase
50010345	3	ChEBML_208132	The compound was evaluated for the inhibitory activity against thrombin
50010345	1	ChEBML_155080	The compound was evaluated for the inhibitory activity against plasmin
50010346	2	ChEBML_216649	Inhibitory concentration was measured against alpha-chymotrypsin
50010346	5	ChEBML_197657	Inhibition of human Serine protease chymase
50010346	4	ChEBML_213247	Inhibitory concentration was measured against trypsin
50010346	7	ChEBML_63802	Inhibitory concentration was measured against elastase
50010346	1	ChEBML_155593	Inhibitory concentration was measured against plasmin
50010346	3	ChEBML_209080	Inhibitory concentration was measured against thrombin
50010346	6	ChEBML_45524	Inhibitory concentration was measured against cathepsin G
50032372	9	ChEMBL_665130 (CHEMBL1260393)	Inhibition of [3H]PDBu binding to PKC alpha C1A peptide
50032372	10	ChEMBL_665133 (CHEMBL1260396)	Inhibition of [3H]PDBu binding to PKC delta C1A peptide
50032372	11	ChEMBL_665136 (CHEMBL1260399)	Inhibition of [3H]PDBu binding to PKCeta C1B peptide
50032372	2	ChEMBL_665134 (CHEMBL1260397)	Inhibition of [3H]PDBu binding to PKC delta C1B peptide
50032377	3	ChEMBL_665269 (CHEMBL1260850)	Inhibition of BACE1
50010349	2	ChEBML_40297	Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells
50010349	1	ChEMBL_40419 (CHEMBL652634)	Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells; 0.2-16
50010352	1	ChEBML_2461	Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor
50032378	8	ChEMBL_665314 (CHEMBL1260991)	Inhibition of PI3Kalpha in human PC3 cells assessed as phosphorylated Akt level
50032378	9	ChEMBL_665312 (CHEMBL1260989)	Inhibition of DNA-PK
50032385	4	ChEMBL_665492 (CHEMBL1261323)	Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells
50032385	8	ChEMBL_665494 (CHEMBL1261325)	Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay
50032385	9	ChEMBL_665484 (CHEMBL1261259)	Antagonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP formation by HTRF assay
50032385	3	ChEMBL_665493 (CHEMBL1261324)	Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells
50032385	6	ChEMBL_665487 (CHEMBL1261318)	Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay
50032385	10	ChEMBL_665491 (CHEMBL1261322)	Displacement of [125I]-cyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells
50010362	1	ChEBML_47584	The compound was evaluated for inhibition of cathepsin B from human liver
50010362	2	ChEBML_43687	The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes
50010374	1	ChEBML_101010	Inhibition of lipoprotein associated phospholipase A2 in human plasma
50010376	1	ChEBML_145268	In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bound [3H]U-69593
50010378	2	ChEBML_64040	In vitro binding affinity to endothelin B receptor in rat cerebellum
50010378	1	ChEBML_63349	In vitro binding affinity to endothelin A receptor in rat heart ventricles
50032388	4	ChEMBL_665546 (CHEMBL1261377)	Inhibition of human aurora B
50032395	19	ChEMBL_665735 (CHEMBL1261704)	Inhibition of DNA-PK
50032395	9	ChEMBL_665736 (CHEMBL1261705)	Inhibition of human mTOR
50032395	20	ChEMBL_665733 (CHEMBL1261702)	Inhibition of P110delta/p85-alpha
50032395	21	ChEMBL_665732 (CHEMBL1261701)	Inhibition of P110alpha/p85-alpha
50032395	22	ChEMBL_665715 (CHEMBL1261684)	Inhibition of human mTOR complex 1 after 30 mins by FRET assay
50032404	11	ChEMBL_672866 (CHEMBL1267841)	Inhibition of HDAC5 by in vitro deacetylation assay
50032409	11	ChEMBL_675343 (CHEMBL1273380)	Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using GAR R4 peptide and [14C]-AdoMet by scintillation counting
50032409	5	ChEMBL_675528 (CHEMBL1273741)	Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using fluorescein-labeled H4(1-11) peptide by spectrofluorimeter analysis
50032409	2	ChEMBL_675347 (CHEMBL1273384)	Inhibition of human GST-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-AdoMet by scintillation counting
50032409	6	ChEMBL_675342 (CHEMBL1273379)	Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scintillation counting
50032409	1	ChEMBL_675346 (CHEMBL1273383)	Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using fluorescein-labeled H4(1-20) peptide substrate by spectrofluorimeter analysis
50010381	2	ChEMBL_31806 (CHEMBL642227)	Inhibitory activity against human adenosine A2A receptor expressed in HEK293 cells by displacement of [3H]SCH-58261
50010381	3	ChEMBL_29899 (CHEMBL641970)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells
50010381	1	ChEMBL_27912 (CHEMBL642320)	Inhibitory activity against human adenosine A1 receptor expressed in CHO cells by displacement of [3H]DPCPX
50010381	6	ChEMBL_30612 (CHEMBL642019)	Inhibitory activity against rat adenosine A3 receptor expressed in HEK293 cells by displacement of [125I]AB-MECA
50010381	8	ChEMBL_30729 (CHEMBL648026)	Inhibitory activity against human adenosine A2B receptor expressed in HEK293 cells by displacement of [3H]DPCPX
50010381	7	ChEMBL_29634 (CHEMBL639741)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes
50010381	4	ChEMBL_30139 (CHEMBL641342)	Inhibitory activity against adenosine A2A receptor in rat striatal membranes by displacement of [3H]SCH-58261
50032409	12	ChEMBL_675353 (CHEMBL1273390)	Inhibition of His6x-tagged PRMT3-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using GAR R4 peptide and [14C]-SAM by scintillation counting
50032412	6	ChEMBL_673655 (CHEMBL1274832)	Inhibition of recombinant BACE1 purified from Escherichia coli
50010383	1	ChEMBL_72514 (CHEMBL685179)	Binding affinity to cloned human growth hormone secretagogue receptor type 1 in a competitive binding assay with [35S]MK-0677 as a radiolabeled ligand
50032412	3	ChEMBL_673772 (CHEMBL1274949)	Inhibition of CYP3A4 by competitive inhibition assay
50032412	4	ChEMBL_673771 (CHEMBL1274948)	Inhibition of CYP3A4 in presence of NADPH
50010384	2	ChEMBL_214707 (CHEMBL817841)	Inhibition of [3H]AVP binding to human Vasopressin V2 receptor expressed in HeLa cells
50010384	9	ChEMBL_214415 (CHEMBL820279)	Binding affinity towards Vasopressin V1a receptor in human liver
50010384	3	ChEMBL_214848 (CHEMBL824690)	Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%
50010384	5	ChEMBL_214708 (CHEMBL817842)	Concentration which inhibit [3H]AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%
50010384	6	ChEMBL_214878 (CHEMBL820244)	Binding affinity towards rat Vasopressin V2 receptor
50010384	4	ChEMBL_214562 (CHEMBL820179)	Binding affinity towards Vasopressin V1a receptor in rat liver
50010384	7	ChEMBL_214879 (CHEMBL820245)	Binding affinity towards rat Vasopressin V2 receptor after peroral administration of the compound
50010384	1	ChEMBL_214550 (CHEMBL820019)	Binding affinity towards rat Vasopressin V1a receptor after peroral administration of the compound
50010385	1	ChEMBL_208174 (CHEMBL819080)	Binding affinity against human thrombin
50010385	3	ChEMBL_212725 (CHEMBL818182)	Binding affinity against human trypsin
50010385	5	ChEMBL_48664 (CHEMBL657716)	Binding affinity against human coagulation factor X
50010385	4	ChEMBL_48949 (CHEMBL661662)	Binding affinity against Coagulation factor X from rabbit purified enzyme
50010385	2	ChEMBL_48950 (CHEMBL661663)	Binding affinity against fXa from rabbit purified enzyme
50010386	1	ChEMBL_208672 (CHEMBL813331)	Inhibitory activity against Tachykinin receptor 1
50032425	3	ChEMBL_674146 (CHEMBL1274243)	Inhibition of ADAMTS-5 by spectrophotometry
50032425	4	ChEMBL_674147 (CHEMBL1274244)	Inhibition of ADAMTS-4 by spectrophotometry
50010388	1	ChEMBL_50372 (CHEMBL661715)	Inhibition of Cytochrome P450 17 from rat testicular microsomes
50010388	9	ChEMBL_204594 (CHEMBL813179)	Inhibition of steroid 5-alpha-reductase type II isozyme
50010388	6	ChEMBL_50360 (CHEMBL662520)	Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes
50010388	5	ChEMBL_50374 (CHEMBL661717)	Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes
50010388	12	ChEMBL_151518 (CHEMBL760420)	Inhibition of thromboxane synthase P450 TXA2
50010388	10	ChEMBL_204593 (CHEMBL814238)	Inhibition of steroid 5-alpha-reductase type I isozyme
50010388	13	ChEMBL_151517 (CHEMBL760419)	Inhibition of thromboxane synthase P450 TXA2
50010388	4	ChEMBL_50364 (CHEMBL661707)	Binding affinity for Cytochrome P450 17 from human testicular microsomes
50010388	2	ChEMBL_50715 (CHEMBL666794)	Inhibition of Cytochrome P450 19A1
50032431	2	ChEMBL_674396 (CHEMBL1274725)	Inhibition of human BACE1 by FRET assay
50010388	8	ChEMBL_50379 (CHEMBL661721)	Binding affinity for Cytochrome P450 17 from rat testicular microsomes
50010388	11	ChEMBL_151529 (CHEMBL762242)	Inhibition of P450 scc
50010390	3	ChEMBL_208878 (CHEMBL814936)	Tested for inhibitory activity against Thrombin.
50032437	21	ChEMBL_674873 (CHEMBL1272502)	Inhibition of CHK1
50032437	22	ChEMBL_674875 (CHEMBL1272504)	Inhibition of Aurora B
50032437	23	ChEMBL_674891 (CHEMBL1272520)	Inhibition of ROCK2
50032437	24	ChEMBL_674889 (CHEMBL1272518)	Inhibition of PKCalpha
50032438	11	ChEMBL_675122 (CHEMBL1272913)	Inhibition of KCNQ2/Q3
50032438	12	ChEMBL_675119 (CHEMBL1272910)	Inhibition of TRPV1
50032438	13	ChEMBL_675096 (CHEMBL1272887)	Inhibition of mouse NaV1.8 by electrophysiology
50032443	7	ChEMBL_675412 (CHEMBL1273492)	Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis
50032443	5	ChEMBL_675422 (CHEMBL1273502)	Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation analysis
50032443	6	ChEMBL_675423 (CHEMBL1273503)	Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 allosteric site assessed as 15-HPETE formation by Michaelis-Menten equation analysis
50032443	8	ChEMBL_675413 (CHEMBL1273493)	Inhibition of human N-terminal His6-tagged epithelial 15-lipoxygenase-2 after 15 mins by UV-vis spectrophotometer analysis
50032447	2	ChEMBL_675639 (CHEMBL1273947)	Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay
50032450	3	ChEMBL_674250 (CHEMBL1274347)	Antagonist activity at NR1-1a/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at -60mV holding potential by two-electrode voltage-clamp electrophysiology
50032450	4	ChEMBL_674249 (CHEMBL1274346)	Antagonist activity at GluR1 expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -60mV holding potential by two-electrode voltage-clamp electrophysiology
50032452	5	ChEMBL_674288 (CHEMBL1274488)	Inhibition of MLCK
50032455	4	ChEMBL_674717 (CHEMBL1273970)	Inhibition of human BACE1 by FRET assay
50032455	8	ChEMBL_674726 (CHEMBL1273979)	Inhibition of human recombinant BACE1 expressed in CHO cells assessed as reduction in amyloid beta level by sandwich ELISA
50032455	9	ChEMBL_674732 (CHEMBL1273985)	Inhibition of CYP3A4
50032472	2	ChEMBL_674822 (CHEMBL1272395)	Inhibition of TGFbeta receptor
50032472	7	ChEMBL_674821 (CHEMBL1272394)	Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA
50032472	8	ChEMBL_674786 (CHEMBL1274094)	Inhibition of ALK1
50032497	3	ChEMBL_676200 (CHEMBL1273320)	Inhibition of human recombinant BACE1 by FRET assay
50032510	2	ChEMBL_680858 (CHEMBL1284664)	Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A
50032528	2	ChEMBL_685022 (CHEMBL1286540)	Inhibition of BACE1 by fluorescence assay
50032529	6	ChEMBL_685025 (CHEMBL1286641)	Inhibition of NEK2 by microfluidic assay
50032529	7	ChEMBL_685029 (CHEMBL1286645)	Inhibition of NEK2 autophosphorylation after 2 hrs by DELFIA assay
50032529	8	ChEMBL_685028 (CHEMBL1286644)	Inhibition of CHK1
50032529	1	ChEMBL_685030 (CHEMBL1286646)	Inhibition of NEK2 assessed as inhibition of substrate phosphorylation
50032531	12	ChEMBL_685076 (CHEMBL1286692)	Inhibition of human platelets PDE5
50032539	2	ChEMBL_685392 (CHEMBL1287592)	Inhibition of human recombinant Chk1
50032547	3	ChEMBL_685631 (CHEMBL1285409)	Inhibition of COX1 in human whole blood assessed as TXB2 biosynthesis after 24 hrs by EIA
50032550	11	ChEMBL_685663 (CHEMBL1285565)	Inhibition of BRAF
50032550	12	ChEMBL_683877 (CHEMBL1285875)	Inhibition of EPHA1
50032557	1	ChEMBL_684635 (CHEMBL1285468)	Inhibition of human placenta 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins
50032557	4	ChEMBL_684640 (CHEMBL1285473)	Inhibition of 17beta-HSD1 in human T47D cells using [2,4,6,7-3H]-estrone as substrate after 30 mins
50032563	3	ChEMBL_687846 (CHEMBL1291410)	Inhibition of human COX-1
50032563	4	ChEMBL_687847 (CHEMBL1291411)	Inhibition of human COX-2
50032568	2	ChEMBL_686304 (CHEMBL1293060)	Binding affinity to human recombinant TRPV1
50032590	35	ChEMBL_687450 (CHEMBL1292126)	Inhibition of VEGFR3
50032590	33	ChEMBL_687461 (CHEMBL1292137)	Inhibition of human CDK4/Cyclin D1
50032590	34	ChEMBL_687462 (CHEMBL1292138)	Inhibition of human CDK6/Cyclin D1
50032590	32	ChEMBL_687463 (CHEMBL1292139)	Inhibition of human CDK5/p25
50032590	36	ChEMBL_687455 (CHEMBL1292131)	Inhibition of human InsR
50032590	37	ChEMBL_687473 (CHEMBL1292149)	Inhibition of human INK1
50032591	25	ChEMBL_687503 (CHEMBL1292179)	Inhibition of PKCalpha
50032597	10	ChEMBL_687881 (CHEMBL1291445)	Inhibition of human ERG
50032597	1	ChEMBL_687875 (CHEMBL1291439)	Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counter
50032597	11	ChEMBL_687878 (CHEMBL1291442)	Antagonist activity at mouse CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins
50032597	2	ChEMBL_687876 (CHEMBL1291440)	Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter
50032597	12	ChEMBL_687885 (CHEMBL1291449)	Inhibition of mouse CCR5
50032611	3	ChEMBL_687105 (CHEMBL1291682)	Inhibition of human COX-1
50032623	2	ChEMBL_687950 (CHEMBL1291622)	Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting
50032624	3	ChEMBL_687953 (CHEMBL1291625)	Inhibition of human recombinant NQO2
50032629	9	ChEMBL_686068 (CHEMBL1292824)	Inhibition of MMP9
50032633	8	ChEMBL_694813 (CHEMBL1639760)	Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting
50032633	9	ChEMBL_694805 (CHEMBL1639752)	Inhibition of human GlyT1
50032633	2	ChEMBL_694812 (CHEMBL1639759)	Inhibition of human GlyT1 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting
50032633	6	ChEMBL_694806 (CHEMBL1639753)	Inhibition of human GlyT2
50032635	2	ChEMBL_696710 (CHEMBL1638622)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from human NCP1L1 expressed in HEK 293
50032638	2	ChEMBL_695427 (CHEMBL1639097)	Inhibition of recombinant ATX mediated hydrolysis of FS-3
50032640	6	ChEMBL_697253 (CHEMBL1640797)	Inhibition of human MMP9 in cell-free system by fluorescent spectroscopy
50032640	7	ChEMBL_697249 (CHEMBL1640793)	Inhibition of human TNF-alpha by fluorescent spectroscopy
50032640	8	ChEMBL_697248 (CHEMBL1640792)	Inhibition of human TACE by fluorescent spectroscopy
50032641	12	ChEMBL_695091 (CHEMBL1640839)	Inhibition of EGF-induced EGFR phosphorylation in human CAL27 cells overexpressing EGFR after 16 hrs by Western blot
50032641	13	ChEMBL_695080 (CHEMBL1640697)	Inhibition of INSR by flash plate based radioactive enzyme assay
50010403	1	ChEMBL_48938 (CHEMBL661652)	Inhibition of recombinant human CETP-mediated transfer of [3H]CE from HDL to LDL
50010403	2	ChEMBL_48939 (CHEMBL661653)	Tested for inhibiting CETP-mediated transfer of [3H]-CE from HDL to LDL in vitro under buffered assay conditions in human serum.
50032641	14	ChEMBL_695077 (CHEMBL1640694)	Inhibition of EGFR by flash plate based radioactive enzyme assay
50032648	8	ChEMBL_697999 (CHEMBL1633059)	Inhibition of human Nav1.7 by VIPR assay
50032652	3	ChEMBL_696331 (CHEMBL1639902)	Inhibition of human COX1
50032652	4	ChEMBL_696332 (CHEMBL1639903)	Inhibition of human COX2
50032653	6	ChEMBL_696364 (CHEMBL1640077)	Inhibition of human aldehyde oxidase
50032653	7	ChEMBL_696366 (CHEMBL1640079)	Inhibition of rat aldehyde oxidase
50032660	6	ChEMBL_696915 (CHEMBL1639431)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay
50032660	3	ChEMBL_696903 (CHEMBL1639419)	Inhibition of human TRPV1 expressed in HEK cells
50010407	5	ChEMBL_29641 (CHEMBL639748)	Tested for its binding affinity at adenosine A1 receptor in rat brain cortical membrane preparations using [3H]CCPA as a radioligand
50010407	2	ChEMBL_30143 (CHEMBL640590)	Binding affinity at adenosine A2A receptor in rat striatal membrane preparations using [3H]CGS-21680 at a 30 uM
50010407	3	ChEMBL_29640 (CHEMBL639747)	Binding affinity against adenosine A1 receptor expressed in CHO cells using [3H]CCPA
50032660	5	ChEMBL_696901 (CHEMBL1639417)	Displacement of [3H]RTX from rat TRPV1 expressed in HEK cells
50010407	4	ChEMBL_30174 (CHEMBL640451)	Binding affinity against human adenosine A3 receptor using [3H]-NECA at 30 uM
50032660	7	ChEMBL_696914 (CHEMBL1639430)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay
50010407	1	ChEMBL_30142 (CHEMBL640589)	Binding affinity against adenosine A2A receptor in rat striatal membrane preparations using [3H]CGS-21680 at 10 uM
50032663	1	ChEMBL_694283 (CHEMBL1637645)	Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method
50032663	3	ChEMBL_694284 (CHEMBL1637646)	Inhibition of autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate
50032668	3	ChEMBL_696155 (CHEMBL1639154)	Inhibition of human platelets COX1 after 2 mins
50032668	4	ChEMBL_696154 (CHEMBL1639153)	Inhibition of human recombinant COX2 after 45 mins
50032675	12	ChEMBL_690175 (CHEMBL1634305)	Inhibition of human HDAC5 by fluorimetric assay
50032700	4	ChEMBL_698433 (CHEMBL1647365)	Binding affinity to mGluR1
50032700	1	ChEMBL_698432 (CHEMBL1647364)	Binding affinity to human mGluR1
50032702	2	ChEMBL_698692 (CHEMBL1648256)	Inhibition of BACE1
50032707	8	ChEMBL_699226 (CHEMBL1646948)	Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay
50032707	7	ChEMBL_699225 (CHEMBL1646947)	Antagonist activity at human CRTH2 expressed in HEK293 cells assessed as inhibition of forskolin-induced increase intracellular [125I]cAMP level by scintillation proximity assay
50032707	6	ChEMBL_699224 (CHEMBL1646946)	Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay
50010410	4	ChEMBL_146120 (CHEMBL754589)	Compound was evaluated for its ability to displace [3H]nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells
50010410	3	ChEMBL_146120 (CHEMBL754589)	Compound was evaluated for its ability to displace [3H]-nociceptin ( 0.5 nM ) binding from Opioid receptor like 1 expressed in HeLa cells
50010410	5	ChEMBL_145391 (CHEMBL750081)	Inhibition of [3H]naltrindole (0.55 nM) binding from human Opioid receptor kappa 1
50010410	1	ChEMBL_148241 (CHEMBL873920)	Inhibition of [3H]diprenorphine (0.33 nM) binding from human Opioid receptor mu 1 expressed in CHO-K1 cells.
50032710	4	ChEMBL_699677 (CHEMBL1648320)	Inhibition of c-Met expressed in human GTL-16 cells after 2 hrs
50010413	1	ChEMBL_2838 (CHEMBL621524)	Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor
50010413	3	ChEMBL_1426 (CHEMBL616506)	Inhibition constant of 50 uM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor
50010413	7	ChEMBL_2660 (CHEMBL617909)	Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor
50010413	5	ChEMBL_609 (CHEMBL615478)	EC50 for inhibition of 50 uM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor
50010413	2	ChEMBL_942 (CHEMBL616121)	Evaluated for the binding constant at [3H]8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor
50010413	4	ChEMBL_2563 (CHEMBL617110)	Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor
50010413	6	ChEMBL_943 (CHEMBL616122)	Evaluated for the binding constant at [3H]8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor receptor
50010418	100	ChEMBL_27916 (CHEMBL642324)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 0.66-1.51
50010418	75	ChEMBL_31232 (CHEMBL641547)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 44-58
50010418	66	ChEMBL_31540 (CHEMBL644491)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor
50010418	94	ChEMBL_30052 (CHEMBL644848)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 3650-5501
50010418	80	ChEMBL_28046 (CHEMBL643039)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 2.65-3.39
50010418	167	ChEMBL_31831 (CHEMBL641333)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 267-453
50010418	86	ChEMBL_28042 (CHEMBL643199)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 149-204
50010418	11	ChEMBL_28062 (CHEMBL643055)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 83-120
50010418	56	ChEMBL_30048 (CHEMBL644844)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 33-48
50010418	159	ChEMBL_28202 (CHEMBL637695)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 327-462
50010418	166	ChEMBL_31830 (CHEMBL641332)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 218-283
50010418	127	ChEMBL_31243 (CHEMBL642208)	Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 8-18
50010418	4	ChEMBL_30171 (CHEMBL640449)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 691-952
50010418	57	ChEMBL_31237 (CHEMBL642202)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 56-75
50010418	34	ChEMBL_28052 (CHEMBL643045)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 267-453
50010418	125	ChEMBL_31241 (CHEMBL642206)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 70-94
50010418	63	ChEMBL_31233 (CHEMBL641548)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 45-64
50010418	162	ChEMBL_28200 (CHEMBL637693)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 170-358
50010418	21	ChEMBL_30034 (CHEMBL641325)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.63-1.00
50010418	107	ChEMBL_31095 (CHEMBL640625)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 260-352
50010418	58	ChEMBL_30047 (CHEMBL644843)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 3228-3614
50010418	78	ChEMBL_28040 (CHEMBL643036)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 123-160
50010418	161	ChEMBL_28201 (CHEMBL637694)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 229-276
50010418	22	ChEMBL_31229 (CHEMBL641544)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 3828-4817
50010418	50	ChEMBL_30043 (CHEMBL645342)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 247-317
50010418	126	ChEMBL_31240 (CHEMBL642205)	Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 7.4-11.3
50010418	32	ChEMBL_31551 (CHEMBL644502)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 5.1-8.9
50010418	46	ChEMBL_31545 (CHEMBL644496)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 2.8-8.1
50010418	138	ChEMBL_31824 (CHEMBL642245)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 150-207
50010418	73	ChEMBL_31231 (CHEMBL641546)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 432-469
50010418	155	ChEMBL_30026 (CHEMBL641317)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.17-0.24
50010418	54	ChEMBL_30041 (CHEMBL645340)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 2.13-3.62
50010418	90	ChEMBL_30056 (CHEMBL644852)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 525-691
50010418	17	ChEMBL_30033 (CHEMBL641324)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.63-0.1.00
50010418	116	ChEMBL_31812 (CHEMBL642233)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.06-0.48
50010418	101	ChEMBL_28033 (CHEMBL643029)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 4.72-6.23
50010418	164	ChEMBL_28204 (CHEMBL637697)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 6.9-9.7
50010418	31	ChEMBL_30038 (CHEMBL640381)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 1061-1245
50010418	140	ChEMBL_31822 (CHEMBL642243)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 120-155
50010418	84	ChEMBL_28048 (CHEMBL643041)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 215-289
50010418	153	ChEMBL_31966 (CHEMBL640519)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 85-140
50010418	49	ChEMBL_29904 (CHEMBL641975)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.08-0.24
50010418	128	ChEMBL_31242 (CHEMBL642207)	Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 719-895
50010418	35	ChEMBL_28051 (CHEMBL643044)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 254-356
50010418	104	ChEMBL_28039 (CHEMBL643035)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 11-17
50010418	43	ChEMBL_28058 (CHEMBL643051)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 632-1003
50010418	28	ChEMBL_30039 (CHEMBL645338)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 14-19
50010418	30	ChEMBL_31225 (CHEMBL641540)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 332-369
50010418	92	ChEMBL_31539 (CHEMBL644490)	Inhibition of cAMP accumulation in CHO cells expressing human A3 adenosine receptor
50010418	37	ChEMBL_28056 (CHEMBL643049)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 4.05-6.20
50010418	118	ChEMBL_31089 (CHEMBL640620)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 18-29
50010418	156	ChEMBL_31964 (CHEMBL640517)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 8.7-10.5
50010418	13	ChEMBL_28065 (CHEMBL643058)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 134-229
50010418	113	ChEMBL_31082 (CHEMBL640613)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells
50010418	10	ChEMBL_28063 (CHEMBL643056)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 928-1297
50010418	40	ChEMBL_28053 (CHEMBL643046)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 269-326
50010418	6	ChEMBL_31958 (CHEMBL640511)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 484-558
50010418	158	ChEMBL_31969 (CHEMBL640522)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 880-1160
50010418	136	ChEMBL_31826 (CHEMBL642247)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 17-24
50010418	70	ChEMBL_31230 (CHEMBL641545)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 40-69
50010418	59	ChEMBL_31238 (CHEMBL642203)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 56-89
50010418	39	ChEMBL_28054 (CHEMBL643047)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 2894-3460
50010418	12	ChEMBL_31954 (CHEMBL640507)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 3420-3788
50010418	44	ChEMBL_28057 (CHEMBL643050)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 4.1-4.7
50010418	52	ChEMBL_30042 (CHEMBL645341)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 23-40
50010418	97	ChEMBL_27914 (CHEMBL642322)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 1325-1693
50010418	47	ChEMBL_29905 (CHEMBL641976)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.08-0.27
50010418	67	ChEMBL_31236 (CHEMBL641551)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 55-68
50010418	18	ChEMBL_30032 (CHEMBL641323)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.52-0.68
50010418	96	ChEMBL_30054 (CHEMBL644850)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 50-61
50010418	139	ChEMBL_31825 (CHEMBL642246)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 160-210
50010418	71	ChEMBL_31542 (CHEMBL644493)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 1.7-4.2
50010418	148	ChEMBL_31828 (CHEMBL642249)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 185-210
50010418	85	ChEMBL_28043 (CHEMBL643200)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 172-236
50010418	115	ChEMBL_31811 (CHEMBL642232)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells
50010418	102	ChEMBL_27915 (CHEMBL642323)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 329-375
50010418	121	ChEMBL_31087 (CHEMBL640618)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 1681-1961
50010418	108	ChEMBL_31090 (CHEMBL640621)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 183-278
50010418	98	ChEMBL_28038 (CHEMBL643034)	Tested for inhibitory activity against human adenosine A1 receptor by displacement of [3H]DPCPX expressed in CHO cells; value ranges from 1027-1396
50010418	76	ChEMBL_29906 (CHEMBL641977)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.13-0.27
50010418	26	ChEMBL_31227 (CHEMBL641542)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 35-45
50010418	8	ChEMBL_28060 (CHEMBL643053)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 785-1341
50010418	114	ChEMBL_31083 (CHEMBL640614)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 107-210
50010418	146	ChEMBL_31961 (CHEMBL640514)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 70-130
50010418	134	ChEMBL_31818 (CHEMBL642239)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1.70-2.10
50010418	38	ChEMBL_28055 (CHEMBL643048)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 323-378
50010418	82	ChEMBL_30050 (CHEMBL644846)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 35-47
50010418	122	ChEMBL_31815 (CHEMBL642236)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.60-1.00
50010418	111	ChEMBL_31084 (CHEMBL640615)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 1531-1920
50010418	15	ChEMBL_30031 (CHEMBL641322)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.51-0.70
50010418	69	ChEMBL_31541 (CHEMBL644492)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 1.1-3.8
50010418	163	ChEMBL_31968 (CHEMBL640521)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 850-1230
50010418	29	ChEMBL_31550 (CHEMBL644501)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 4.4-6.5
50010418	152	ChEMBL_31965 (CHEMBL640518)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 830-1310
50010418	68	ChEMBL_30049 (CHEMBL644845)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 34-76
50010418	133	ChEMBL_31244 (CHEMBL642209)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 81-101
50010418	149	ChEMBL_30028 (CHEMBL641319)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.27-0.34
50010418	7	ChEMBL_28061 (CHEMBL643054)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 81-127
50010418	2	ChEMBL_31956 (CHEMBL640509)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 461-645
50010418	14	ChEMBL_28064 (CHEMBL643057)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 1.72-2.36
50010418	81	ChEMBL_28049 (CHEMBL643042)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 23-40
50010418	130	ChEMBL_31970 (CHEMBL640523)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 880-1682
50010418	88	ChEMBL_28044 (CHEMBL643201)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 179-317
50010418	24	ChEMBL_31226 (CHEMBL641541)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 343-468
50010418	61	ChEMBL_30046 (CHEMBL644842)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 285-385
50010418	110	ChEMBL_31092 (CHEMBL640623)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 19-27
50010418	132	ChEMBL_31819 (CHEMBL642240)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1.90-3.37
50010418	20	ChEMBL_30035 (CHEMBL640378)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.85-0.98
50010418	135	ChEMBL_31817 (CHEMBL642238)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1.4-2.1
50010418	151	ChEMBL_31960 (CHEMBL640513)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 65-92
50010418	129	ChEMBL_31245 (CHEMBL642210)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 934-1327
50010418	99	ChEMBL_28037 (CHEMBL643033)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 365-550
50010418	19	ChEMBL_31228 (CHEMBL641543)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 38-63
50010418	93	ChEMBL_30053 (CHEMBL644849)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 378-488
50010418	79	ChEMBL_28047 (CHEMBL643040)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 213-281
50010418	131	ChEMBL_31971 (CHEMBL640524)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 90-125
50010418	147	ChEMBL_31962 (CHEMBL640515)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 730-1100
50010418	165	ChEMBL_28205 (CHEMBL637698)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 885-1163
50010418	42	ChEMBL_30040 (CHEMBL645339)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 17-36
50010418	150	ChEMBL_30029 (CHEMBL641320)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.32-0.74
50010418	72	ChEMBL_31543 (CHEMBL644494)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 10.8-21.5
50010418	9	ChEMBL_31955 (CHEMBL640508)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 36-55
50010418	105	ChEMBL_31093 (CHEMBL640624)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 226-301
50010418	64	ChEMBL_31234 (CHEMBL641549)	Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 50-63
50010418	5	ChEMBL_30172 (CHEMBL640450)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 7.2-8.9
50010418	120	ChEMBL_31814 (CHEMBL642235)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.37-0.49
50010418	3	ChEMBL_31959 (CHEMBL640512)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 632-1003
50010418	95	ChEMBL_30055 (CHEMBL644851)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 51-70
50010418	89	ChEMBL_30057 (CHEMBL644853)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 65-78
50010418	112	ChEMBL_31085 (CHEMBL640616)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 157-268
50010418	25	ChEMBL_30036 (CHEMBL640379)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 1.22-1.78
50010418	65	ChEMBL_31235 (CHEMBL641550)	Displacement of [3H]-DPCPX from Adenosine A2b receptor expressed in CHO cells; range 52-65
50010418	45	ChEMBL_30044 (CHEMBL644840)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 265-339
50010418	124	ChEMBL_31086 (CHEMBL640617)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 1637-2582
50010418	142	ChEMBL_31820 (CHEMBL642241)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 100-145
50010418	103	ChEMBL_28032 (CHEMBL642359)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 221-286
50010418	141	ChEMBL_31823 (CHEMBL642244)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1220-1590
50010418	117	ChEMBL_31813 (CHEMBL642234)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.22-0.44
50010418	145	ChEMBL_31829 (CHEMBL642250)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 2.40-3.55
50010418	83	ChEMBL_30051 (CHEMBL644847)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 364-460
50010418	160	ChEMBL_31967 (CHEMBL640520)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 85-164
50010418	168	ChEMBL_31832 (CHEMBL641334)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 2826-3761
50010418	91	ChEMBL_30058 (CHEMBL644854)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 664-738
50010418	27	ChEMBL_31224 (CHEMBL641539)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 3.9-6.7
50010418	36	ChEMBL_28050 (CHEMBL643043)	Tested for inhibitory activity against human adenosine A1 receptor by displacement of [3H]DPCPX expressed in CHO cells; value ranges from 2362-2575
50010418	123	ChEMBL_31816 (CHEMBL642237)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 0.65-1.06
50010418	48	ChEMBL_31546 (CHEMBL644497)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 2.9-6.0
50010418	157	ChEMBL_28203 (CHEMBL637696)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 6.5-8.7
50010418	33	ChEMBL_30173 (CHEMBL875260)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 76-95
50010418	137	ChEMBL_31827 (CHEMBL642248)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1770-2327
50010418	53	ChEMBL_31548 (CHEMBL644499)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 3.5-7.6
50010418	23	ChEMBL_30037 (CHEMBL640380)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 1.42-1.79
50010418	106	ChEMBL_31094 (CHEMBL875259)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 23-40
50010418	74	ChEMBL_31544 (CHEMBL644495)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 2.5-9.3
50010418	1	ChEMBL_31957 (CHEMBL640510)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 47-78
50010418	41	ChEMBL_28059 (CHEMBL643052)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 7-14
50010418	51	ChEMBL_31547 (CHEMBL644498)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 3.0-6.9
50010418	62	ChEMBL_30045 (CHEMBL644841)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 267-453
50010418	60	ChEMBL_31239 (CHEMBL642204)	Tested for inhibitory activity against Adenosine A2b receptor by displacement of [3H]DPCPX expressed in CHO cells; value ranges from 61-80
50010418	119	ChEMBL_31088 (CHEMBL640619)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 1770-2327
50010418	144	ChEMBL_30027 (CHEMBL641318)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.24-0.64
50010418	55	ChEMBL_31549 (CHEMBL644500)	Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 4.0-7.5
50010418	154	ChEMBL_31963 (CHEMBL640516)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 8.7-10.2
50010418	143	ChEMBL_31821 (CHEMBL642242)	Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 1024-1396
50010418	16	ChEMBL_30030 (CHEMBL641321)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.34-0.73
50010418	87	ChEMBL_28045 (CHEMBL643038)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells; range 191-339
50010418	77	ChEMBL_28041 (CHEMBL643037)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells; range 1354-1372
50010418	109	ChEMBL_31091 (CHEMBL640622)	Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 188-320
50010419	2	ChEMBL_217931 (CHEMBL822078)	Inhibition of human adenosine kinase
50010419	1	ChEMBL_217930 (CHEMBL822077)	Tested for inhibitory activity against AK in an in vitro cell-free enzyme assay
50032710	5	ChEMBL_699678 (CHEMBL1648321)	Inhibition of insulin receptor after 1 hr
50032719	2	ChEMBL_700224 (CHEMBL1647325)	Inhibition of porcine kidney microsomal APN after 10 mins at room temperature by spectrophotometry
50032723	13	ChEMBL_700678 (CHEMBL1645717)	Binding affinity to CRTH2 receptor
50032723	3	ChEMBL_700671 (CHEMBL1645710)	Binding affinity to EP4 receptor
50032723	2	ChEMBL_700673 (CHEMBL1645712)	Ratio of Ki for EP4 receptor to EP4 receptor in presence of 10% HSA
50032723	1	ChEMBL_700672 (CHEMBL1645711)	Binding affinity to EP4 receptor in presence of 10% HSA
50032725	3	ChEMBL_700706 (CHEMBL1645745)	Inhibition of [3H]E1 binding to human placental 17beta-HSD1 after 20 mins
50032731	2	ChEMBL_699805 (CHEMBL1645651)	Antagonist activity at human recombinant CRTH2 receptor expressed in HEK293 cells assessed as inhibition of DK-PGD2-induced intracellular cAMP formation
50032731	3	ChEMBL_699806 (CHEMBL1645652)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophils shape change
50032731	11	ChEMBL_699801 (CHEMBL1645647)	Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay
50032731	12	ChEMBL_699802 (CHEMBL1645648)	Binding affinity to prostanoid DP1 receptor
50032731	13	ChEMBL_699803 (CHEMBL1645649)	Binding affinity to thromboxane receptor
50032732	6	ChEMBL_700048 (CHEMBL1646825)	Inhibition of rat liver cytosolic TrxR1 by spectrophotometry
50032732	3	ChEMBL_700050 (CHEMBL1646827)	Mixed-type inhibition of rat liver cytosolic TrxR1 by Lineweaver-Burk plot analysis
50032732	7	ChEMBL_700049 (CHEMBL1646826)	Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry
50032738	5	ChEMBL_700286 (CHEMBL1647504)	Inhibition of BACE1
50032738	6	ChEMBL_700284 (CHEMBL1647502)	Inhibition of human plasma renin
50032738	1	ChEMBL_700283 (CHEMBL1647501)	Inhibition of renin
50032744	5	ChEMBL_701347 (CHEMBL1648967)	Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells
50032744	3	ChEMBL_701348 (CHEMBL1648968)	Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells
50032759	3	ChEMBL_699066 (CHEMBL1646347)	Inhibition of MLCK by HTRF assay
50032778	15	ChEMBL_701137 (CHEMBL1648235)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50032778	6	ChEMBL_701136 (CHEMBL1648234)	Displacement of [125I]glucagon from human GCGR expressed in CHO cells
50032778	16	ChEMBL_701150 (CHEMBL1648248)	Antagonist activity at human GLP1R expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50032778	17	ChEMBL_701275 (CHEMBL1648895)	Antagonist activity at dog GCGR assessed as inhibition of glucagon-induced cAMP accumulation
50032782	11	ChEMBL_698757 (CHEMBL1648482)	Inhibition of insulin receptor
50032782	6	ChEMBL_698755 (CHEMBL1648480)	Inhibition of ALK
50032784	3	ChEMBL_699029 (CHEMBL1646310)	Inhibition of IKK1
50032784	4	ChEMBL_699031 (CHEMBL1646312)	Inhibition of IKK2
50032794	4	ChEMBL_699552 (CHEMBL1647910)	Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay
50032794	3	ChEMBL_699553 (CHEMBL1647911)	Inhibition of recombinant CDK2/Cyclin A expressed in insect Sf9 cells assessed as inhibition of [33P]-ATP incorporation into biotinylated histone H1 after 1 hr by liquid scintillation counting
50032795	4	ChEMBL_699554 (CHEMBL1647912)	Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assay
50032795	3	ChEMBL_699555 (CHEMBL1647913)	Inhibition of CDK2/cyclin A
50010432	8	ChEMBL_106057 (CHEMBL718223)	Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated by measuring forskolin-induced cyclic AMP formation
50010432	1	ChEMBL_106387 (CHEMBL717242)	Agonist potency against cloned Metabotropic glutamate receptor 3
50010432	2	ChEMBL_106388 (CHEMBL717243)	Antagonist activity against Metabotropic glutamate receptor 3 expressed in CHO cells was evaluated in presence of 30 uM glutamic acid
50010432	5	ChEMBL_106215 (CHEMBL713203)	Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cells using [3H]-7 as radioligand
50010432	4	ChEMBL_106060 (CHEMBL718225)	Antagonist activity against Metabotropic glutamate receptor 2<br>expressed in CHO cells was evaluated in presence of 30 uM glutamic acid
50010432	3	ChEMBL_106531 (CHEMBL713034)	Tested for binding affinity against Metabotropic glutamate receptor 3 in CHO cells using [3H]-7 as radioligand
50010432	7	ChEMBL_106061 (CHEMBL718226)	Antagonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated by measuring forskolin-induced cyclic AMP formation
50010432	6	ChEMBL_106062 (CHEMBL718227)	Antagonist activity against Metabotropic glutamate receptor 2 expressed in CHO cells was evaluated in presence of 30 uM glutamic acid
50032820	35	ChEMBL_701623 (CHEMBL1656382)	Inhibition of VEGFR2 by TR-FRET based LanthaScreen assay
50032820	36	ChEMBL_701616 (CHEMBL1656375)	Inhibition of LCK by TR-FRET based LanthaScreen assay
50032820	37	ChEMBL_701617 (CHEMBL1656376)	Inhibition of MEK2 by TR-FRET based LanthaScreen assay
50032820	38	ChEMBL_701622 (CHEMBL1656381)	Inhibition of TYK2 by TR-FRET based LanthaScreen assay
50032820	39	ChEMBL_701649 (CHEMBL1656541)	Inhibition of p38alpha by Caliper mobility shift assay
50032820	40	ChEMBL_701615 (CHEMBL1656374)	Inhibition of cKIT by TR-FRET based LanthaScreen assay
50032820	41	ChEMBL_701628 (CHEMBL1656387)	Inhibition of CDK2A by Caliper mobility shift assay
50032820	42	ChEMBL_701638 (CHEMBL1656530)	Inhibition of INSR by TR-FRET based LanthaScreen assay
50032820	43	ChEMBL_701647 (CHEMBL1656539)	Inhibition of ROCK2 by Caliper mobility shift assay
50032820	44	ChEMBL_701612 (CHEMBL1656371)	Inhibition of ALK by TR-FRET based LanthaScreen assay
50032820	45	ChEMBL_701635 (CHEMBL1656527)	Inhibition of HER2 by TR-FRET based LanthaScreen assay
50032820	46	ChEMBL_701643 (CHEMBL1656535)	Inhibition of PKAalpha by Caliper mobility shift assay
50032820	47	ChEMBL_701614 (CHEMBL1656373)	Inhibition of EPHB4 by TR-FRET based LanthaScreen assay
50032820	48	ChEMBL_701634 (CHEMBL1656526)	Inhibition of GSK3-beta by TR-FRET based LanthaScreen assay
50032820	49	ChEMBL_701613 (CHEMBL1656372)	Inhibition of ERK2 by Caliper mobility shift assay
50032820	50	ChEMBL_701642 (CHEMBL1656534)	Inhibition of PDK1 by Caliper mobility shift assay
50032820	51	ChEMBL_701633 (CHEMBL1656525)	Inhibition of FGFR3 by TR-FRET based LanthaScreen assay
50032820	52	ChEMBL_701621 (CHEMBL1656380)	Inhibition of RET by TR-FRET based LanthaScreen assay
50032827	7	ChEMBL_702136 (CHEMBL1655473)	Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry
50032827	8	ChEMBL_702135 (CHEMBL1655472)	Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry
50010442	1	ChEBML_159301	Compound was evaluated for the inhibitory activity towards HIV protease
50010446	1	ChEBML_202000	In vitro radioligand [3H]-paroxetine from rat cortical Serotonin transporter
50010447	1	ChEBML_152642	The compound was evaluated for inhibition of papain.
50010448	1	ChEBML_39923	The compound was evaluated for its inhibitory activity towards Protein tyrosine phosphatase of CD45
50032853	2	ChEMBL_715580 (CHEMBL1663396)	Inhibition of COX1
50032857	3	ChEMBL_714872 (CHEMBL1663818)	Inhibition of CHK1 by DELFIA assay
50032861	1	ChEMBL_715308 (CHEMBL1664595)	Displacement of [3H]E1 from 17beta-HSD1 in human T47D cells after 10 mins by fluid scintillation counting
50032861	10	ChEMBL_715320 (CHEMBL1664607)	Inhibition of human CYP3A4
50032861	11	ChEMBL_715250 (CHEMBL1664451)	Displacement of [3H]E1 from human placental 17beta-HSD1 after 10 mins by fluid scintillation counting
50032862	8	ChEMBL_715329 (CHEMBL1664616)	Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay
50032862	2	ChEMBL_715330 (CHEMBL1664617)	Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay
50032862	6	ChEMBL_715334 (CHEMBL1664621)	Inhibition of human recombinant PDE11A-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay
50032862	3	ChEMBL_715331 (CHEMBL1664618)	Inhibition of human recombinant PDE3B-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay
50032862	9	ChEMBL_715333 (CHEMBL1664620)	Inhibition of human recombinant PDE4B-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay
50032862	10	ChEMBL_715332 (CHEMBL1664619)	Inhibition of human recombinant PDE3B-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay
50032862	11	ChEMBL_715335 (CHEMBL1664622)	Inhibition of human recombinant PDE11A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay
50010455	1	ChEBML_60047	Ability to displace [3H]-spiperone from CHO cells expressing human Dopamine receptor D2 was determined
50010455	2	ChEBML_2274	Ability to displace [3H]ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor was determined
50010456	2	ChEBML_60046	Displacement of [3H]spiperone from CHO cells expressing human Dopamine receptor D2.
50010456	1	ChEBML_2953	Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.
50010456	3	ChEBML_2275	Displacement of [3H]ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.
50010457	2	ChEMBL_2311 (CHEMBL617518)	Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor expressed in CHO cells
50032872	2	ChEMBL_716943 (CHEMBL1670971)	Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting
50032872	3	ChEMBL_716944 (CHEMBL1670972)	Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA
50032872	19	ChEMBL_716959 (CHEMBL1670987)	Inhibition of PPAR gamma
50032872	20	ChEMBL_716963 (CHEMBL1670991)	Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change after 4 hrs by flow cytometry
50032872	1	ChEMBL_716942 (CHEMBL1670970)	Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change by flow cytometry
50032872	21	ChEMBL_716955 (CHEMBL1670983)	Inhibition of COX-1
50032872	22	ChEMBL_716954 (CHEMBL1670982)	Inhibition of human CYP3A4 by time-dependent inhibition assay
50032872	12	ChEMBL_716957 (CHEMBL1670985)	Inhibition of PPAR alpha
50010460	1	ChEBML_140175	Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.
50010461	2	ChEBML_200997	Inhibitory concentration required for somatostatin 3 receptor in radioligand binding assay ([125I]Tyr11-SRIF)
50010461	5	ChEBML_201001	Inhibitory concentration required for somatostatin 5 receptor in radioligand binding assay ([125I]-Tyr11-SRIF)
50010461	1	ChEBML_200999	Inhibitory concentration required for somatostatin 4 receptor in radioligand binding assay ([125I]Tyr11-SRIF)
50010461	3	ChEBML_200995	Inhibitory concentration required for somatostatin 2 receptor in radioligand binding assay ([125I]Tyr11-SRIF)
50010461	4	ChEBML_200993	Inhibitory concentration required for somatostatin 1 receptor in radioligand binding assay ([125I]Tyr11-SRIF)
50010463	3	ChEBML_202126	Inhibition of [3H]5-HT uptake into rat synaptosomes by Serotonin transporter
50010463	2	ChEBML_62633	Inhibition of [3H]DA uptake at Dopamine transporter into rat nerve endings (synaptosomes)
50010463	1	ChEBML_143125	Inhibition of norepinephrine transporter by inhibition of [3H]NE uptake into rat nerve endings (synaptosomes)
50032876	5	ChEMBL_717096 (CHEMBL1671272)	Inhibition of human COX1
50032876	4	ChEMBL_717090 (CHEMBL1671266)	Inhibition of COX1
50032876	6	ChEMBL_717095 (CHEMBL1671271)	Inhibition of human COX2
50032879	3	ChEMBL_717396 (CHEMBL1670118)	Inhibition of DNA-PK
50032880	2	ChEMBL_717694 (CHEMBL1670825)	Inhibition of cathepsin S in human JY cells assessed as accumulation of lip10 by Western blot analysis
50032880	8	ChEMBL_717666 (CHEMBL1670797)	Inhibition of human cathepsin S
50032886	3	ChEMBL_718134 (CHEMBL1671587)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay
50032886	2	ChEMBL_718136 (CHEMBL1671589)	Agonist activity at human TRPV1 expressed in CHO cells assessed as capsaicin-induced calcium influx by fluorimetric assay
50032888	3	ChEMBL_716455 (CHEMBL1670079)	Binding affinity to human galectin-8 component 1 by surface plasmon resonance method
50032888	1	ChEMBL_716453 (CHEMBL1670077)	Binding affinity to human galectin-4 component 1 by surface plasmon resonance method
50032888	6	ChEMBL_716454 (CHEMBL1670078)	Binding affinity to human galectin-4 component 2 by surface plasmon resonance method
50032888	7	ChEMBL_716449 (CHEMBL1670073)	Binding affinity to human galectin-3 by surface plasmon resonance method
50010470	1	ChEBML_208510	In vitro inhibition of human thrombin.
50010470	2	ChEBML_212520	Inhibitory activity against Bovine Trypsin
50010471	2	ChEBML_144492	Compound was tested for the competitive inhibition of nitric oxide synthase (i) using [14C]L-citrulline as radioligand. value ranges from 3.6-9 uM
50010471	1	ChEBML_144505	Compound was tested for the competitive inhibition of nitric oxide synthase (n) using [14C]L-citrulline as radioligand.; value ranges from 0.06-2 uM
50010473	1	ChEBML_158015	Tested for inhibition of 3[H]-iloprost binding to human IP receptor
50032888	8	ChEMBL_716456 (CHEMBL1670080)	Binding affinity to human galectin-8 component 2 by surface plasmon resonance method
50032905	14	ChEMBL_716851 (CHEMBL1670830)	Inhibition of human recombinant VEGFR3 in cell free system after 90 mins
50032912	5	ChEMBL_720286 (CHEMBL1679152)	Inhibition of peripheral benzodiazepine BZD receptor by radioligand binding assay
50032932	6	ChEMBL_725804 (CHEMBL1678400)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins
50032933	5	ChEMBL_725831 (CHEMBL1678427)	Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells
50032959	7	ChEMBL_718565 (CHEMBL1680471)	Antagonist activity at mGlu1 receptor
50032964	12	ChEMBL_719026 (CHEMBL1679088)	Inhibition of CYP2C19 in human liver microsomes
50032964	6	ChEMBL_718297 (CHEMBL1679601)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase of intracellular cAMP level after 30 mins by ELISA
50032964	13	ChEMBL_718298 (CHEMBL1679602)	Antagonist activity at mouse adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP level after 30 mins by ELISA
50032966	9	ChEMBL_718713 (CHEMBL1680932)	Agonist activity at human GPR109b
50010480	1	ChEBML_100228	Inhibition of ERK-phosphorylation by MEK-ERK in direct ELISA
50032969	4	ChEMBL_718763 (CHEMBL1681061)	Inhibition of CYP2D6
50032969	5	ChEMBL_718776 (CHEMBL1681074)	Inhibition of beta2 adrenergic receptor
50032972	2	ChEMBL_721596 (CHEMBL1673910)	Inhibition of pig kidney microsomal aminopeptidase N
50032977	3	ChEMBL_726380 (CHEMBL1687512)	Inhibition of AKR1C3 by fluorimetric method
50032978	9	ChEMBL_726390 (CHEMBL1687628)	Agonist activity at human MC4 receptor expressed in BHK cells assessed as stimulation of agonist-induced cAMP accumulation
50032978	10	ChEMBL_726387 (CHEMBL1687625)	Agonist activity at human MC1 receptor expressed in BHK cells assessed as stimulation of agonist-induced cAMP accumulation
50032978	2	ChEMBL_726384 (CHEMBL1687516)	Displacement of [125I]NDP-alpha-MSH from human MC3 receptor expressed in BHK cells
50032978	11	ChEMBL_726389 (CHEMBL1687627)	Agonist activity at human MC3 receptor expressed in BHK cells assessed as stimulation of agonist-induced cAMP accumulation
50032978	4	ChEMBL_726386 (CHEMBL1687624)	Displacement of [125I]NDP-alpha-MSH from human MC5 receptor expressed in BHK cells
50032980	9	ChEMBL_726506 (CHEMBL1685401)	Inhibition of Aurora kinase 2 after 1 hr using biotinylated kemptide as substrate
50032980	10	ChEMBL_726513 (CHEMBL1685408)	Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate
50032983	9	ChEMBL_726534 (CHEMBL1685429)	Inhibition of aurora 2
50032983	10	ChEMBL_726541 (CHEMBL1685436)	Inhibition of Rock2
50032993	1	ChEMBL_728647 (CHEMBL1685777)	Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting
50032993	3	ChEMBL_728649 (CHEMBL1685779)	Displacement of labeled MIP-1beta from human CCR5 receptor
50032993	2	ChEMBL_728648 (CHEMBL1685778)	Antagonist activity at human CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins
50032993	12	ChEMBL_728651 (CHEMBL1685781)	Antagonist activity at human CCR5 receptor by chemotaxis assay
50032993	13	ChEMBL_728650 (CHEMBL1685780)	Displacement of MCP-Alexa 488 from CCR2 in human whole blood after 5 mins by flow cytometry
50010496	1	ChEBML_147988	Binding affinity to nucleotide-binding domain (NBD2) of P-Glycoprotein
50032994	1	ChEMBL_728757 (CHEMBL1686170)	Inhibition of mPGES1
50032994	6	ChEMBL_728759 (CHEMBL1686172)	Inhibition of PGF synthase in IL1-beta treated human A549 cell microsome assessed as inhibition of PGF2alpha production after 1 min in presence of 50% FBS
50032994	2	ChEMBL_728758 (CHEMBL1686171)	Inhibition of mPGES1 in IL1-beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBS
50010499	3	ChEBML_124639	In vitro inhibition of mitogen-activated protein kinase p38 alpha 2 derived from Escherichia coli
50010499	1	ChEMBL_148190 (CHEMBL754534)	Inhibition of p38 alpha-2 kinase
50032994	7	ChEMBL_728760 (CHEMBL1686173)	Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production
50010507	5	ChEMBL_47414 (CHEMBL657291)	Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate
50010507	2	ChEMBL_48368 (CHEMBL661684)	Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate
50010507	3	ChEMBL_45548 (CHEMBL656678)	Inhibition of Cathepsin K at pH 7
50010507	7	ChEMBL_45552 (CHEMBL656682)	Inhibitory activity tested against Human Cathepsin K receptor using bone resorption assay
50010507	12	ChEMBL_48324 (CHEMBL663314)	Inhibitory constant against human cathepsin K
50010507	10	ChEMBL_45554 (CHEMBL656684)	Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate
50010507	11	ChEMBL_45553 (CHEMBL656683)	Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay
50010507	9	ChEMBL_45541 (CHEMBL656671)	Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5
50010507	4	ChEMBL_45547 (CHEMBL656677)	Inhibition of Cathepsin K at pH 5.5
50010507	6	ChEMBL_45557 (CHEMBL656687)	Inhibitory constant against human cathepsin K
50010507	8	ChEMBL_45542 (CHEMBL656672)	Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7
50010507	1	ChEMBL_222263 (CHEMBL823835)	Inhibitory activity tested against papain at a pH 5.5
50023457	1	ChEMBL_526667 (CHEMBL968170)	Displacement of [3H]estradiol from estrogen receptor
50032997	6	ChEMBL_728811 (CHEMBL1686346)	Inhibition of human PKD2
50032998	9	ChEMBL_728837 (CHEMBL1686372)	Inhibition of recombinant human MMP14 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50032998	10	ChEMBL_728834 (CHEMBL1686369)	Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50010510	2	ChEMBL_88197 (CHEMBL699807)	Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa
50010510	1	ChEMBL_88196 (CHEMBL699806)	Inhibitory activity against human neutrophil elastase
50010513	8	ChEMBL_104368 (CHEMBL715829)	In vitro inhibitory activity against matrix metalloprotease -2 (gelatinase-A)
50010513	1	ChEMBL_105962 (CHEMBL715375)	In vitro inhibitory activity against matrix metalloprotease -1 (collagenase-1)
50010513	7	ChEMBL_104707 (CHEMBL709521)	In vitro inhibitory activity against matrix metalloprotease -3 (stromelysin)
50010513	6	ChEMBL_105032 (CHEMBL711546)	In vitro inhibitory activity against matrix metalloprotease-7 (matrilysin, MMP-7)
50010513	3	ChEMBL_106616 (CHEMBL717000)	Inhibition of matrix metalloprotease-13 (collagenase-3)
50010513	5	ChEMBL_106477 (CHEMBL719146)	In vitro inhibitory activity against human recombinant matrix metalloprotease-13 (collagenase-3)
50010513	4	ChEMBL_104571 (CHEMBL714854)	Inhibition of matrix metalloprotease-3 (stromelysin)
50032998	11	ChEMBL_726744 (CHEMBL1686218)	Inhibition of CYP3A4
50010513	2	ChEMBL_106464 (CHEMBL719136)	Inhibition of matrix metalloprotease-13 (collagenase-3)
50010514	5	ChEMBL_145021 (CHEMBL857697)	In vitro inhibitory activity of the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)
50010514	1	ChEMBL_145016 (CHEMBL753712)	Compound was tested for its inhibition against human OSC enzyme
50010514	2	ChEMBL_145019 (CHEMBL753715)	Compound was tested for its inhibition against rat OSC enzyme
50010514	4	ChEMBL_145020 (CHEMBL753716)	In vitro inhibitory activity of the compound against rat microsomal 2,3-Oxidosqualene cyclase-Lanosterol synthase (OSC)
50010514	3	ChEMBL_145022 (CHEMBL753717)	In vitro percent inhibitory activity of the compound against rat microsomal OSC enzyme at 1 uM concentration
50010515	1	ChEMBL_29598 (CHEMBL640256)	Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).
50010515	6	ChEMBL_32128 (CHEMBL643708)	Inhibition of [3H]ZM-241385 binding to adenosine A2A receptor(AR).
50010515	3	ChEMBL_32141 (CHEMBL646351)	Dissociation constant of [3H]ZM-241385 binding to adenosine A2A receptor(AR)
50010515	8	ChEMBL_29602 (CHEMBL640260)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor (AR) at 0.05 nM
50010515	7	ChEMBL_29726 (CHEMBL646659)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor(AR) at 5 nM
50010515	11	ChEMBL_29606 (CHEMBL640264)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor (AR) at 5 nM
50010515	12	ChEMBL_29605 (CHEMBL640263)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor (AR) at 200 nM
50010515	4	ChEMBL_29725 (CHEMBL646658)	Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 100 nM
50010515	9	ChEMBL_29604 (CHEMBL640262)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor (AR) at 100 nM
50010515	10	ChEMBL_29603 (CHEMBL640261)	Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 0.1 nM
50010515	13	ChEMBL_29607 (CHEMBL640265)	Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 0.05 nM
50010515	5	ChEMBL_29724 (CHEMBL646657)	Dissociation constant of [3H]DPCPX binding to adenosine A1 receptor(AR) at 0.1 nM
50010515	2	ChEMBL_29597 (CHEMBL640255)	Inhibition of [3H]-DPCPX binding to adenosine A1 receptor (AR).
50033009	2	ChEMBL_727155 (CHEMBL1687126)	Antagonist activity at human TRPV1 assessed as inhibition of calcium influx
50033014	4	ChEMBL_727759 (CHEMBL1686118)	Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes
50033014	3	ChEMBL_727756 (CHEMBL1686115)	Antagonist activity at human CRTH2 receptor expressed in CHO/Ga16 cells co-expressing Galpha16 protein assessed as calcium flux by FLIPR assay
50033014	5	ChEMBL_727754 (CHEMBL1686113)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes
50033015	11	ChEMBL_727779 (CHEMBL1686262)	Binding affinity to Cav3.3 alpha1i
50033015	2	ChEMBL_727786 (CHEMBL1686269)	Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -80 mV by standard voltage-clamp electrophysiology assay
50033015	12	ChEMBL_727807 (CHEMBL1686290)	Inhibition of L-type Cav1.2 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033018	9	ChEMBL_727925 (CHEMBL1686637)	Inhibition of FLT4
50033019	3	ChEMBL_727955 (CHEMBL1686753)	Inhibition of human IKK-alpha by substrate phosphorylation assay
50033028	6	ChEMBL_728293 (CHEMBL1687450)	Inhibition of FAP
50033033	1	ChEMBL_728457 (CHEMBL1685334)	Inhibition of human DPP4
50033033	14	ChEMBL_728477 (CHEMBL1685354)	Inhibition of FAP
50033041	3	ChEMBL_728882 (CHEMBL1686538)	Inhibition of COX1
50033045	2	ChEMBL_726899 (CHEMBL1686688)	Inhibition of ROCK2 by HTRF assay
50033051	5	ChEMBL_727081 (CHEMBL1687005)	Agonist activity at human beta2 adrenergic receptor
50033056	5	ChEMBL_727300 (CHEMBL1687394)	Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining
50033056	1	ChEMBL_727299 (CHEMBL1687393)	Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining
50033056	7	ChEMBL_727302 (CHEMBL1687396)	Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry
50012106	3	ChEMBL_143065 (CHEMBL750930)	In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain
50010519	1	ChEMBL_142763 (CHEMBL750485)	Binding affinity for nAChR with [3H]-nicotine in rat alpha4 beta2 membranes
50010521	3	ChEMBL_139640 (CHEMBL748253)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M2 expressed in CHO cells
50010521	2	ChEMBL_138696 (CHEMBL747663)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells
50010521	4	ChEMBL_138399 (CHEMBL744762)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells
50010521	1	ChEMBL_87678 (CHEMBL697866)	Ability to inhibit binding of [3H]NMS was determined by receptor binding assay using membranes from chinese hamster ovary (CHO) cells expressing cloned Muscarinic acetylcholine receptor M3
50010522	4	ChEMBL_201561 (CHEMBL804716)	Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocine at the Kd concentration 2nM
50010522	5	ChEMBL_201571 (CHEMBL872706)	Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocine at the Kd concentration 2 nM. 
50010522	2	ChEMBL_145566 (CHEMBL749570)	Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM
50010522	1	ChEMBL_201713 (CHEMBL803750)	Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5 nM) with 1uM dextrallorphan to mask sigma1 binding
50010522	3	ChEMBL_148518 (CHEMBL758128)	Ki value determined against Opioid receptor mu 1 using [3H]DAMGO at the Kd concentration 0.57 nM
50010522	6	ChEMBL_146344 (CHEMBL753793)	Ki value determined against Opioid receptor delta 1 using [3H]DPDPE at the Kd concentration 2.1 nM
50033062	19	ChEMBL_729506 (CHEMBL1696432)	Inhibition of IKK1
50033062	20	ChEMBL_729502 (CHEMBL1696299)	Inhibition of Aurora B
50033062	21	ChEMBL_729504 (CHEMBL1696301)	Inhibition of CHK1
50033062	22	ChEMBL_729507 (CHEMBL1696433)	Inhibition of INS
50033063	23	ChEMBL_729725 (CHEMBL1697126)	Inhibition of PKC-alpha after 60 mins by radiometric assay
50033063	24	ChEMBL_729671 (CHEMBL1696959)	Inhibition of JAK2
50033063	8	ChEMBL_729672 (CHEMBL1696960)	Inhibition of Src kinase
50033066	7	ChEMBL_729928 (CHEMBL1695282)	Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells after 2 hrs by luminometry
50033066	8	ChEMBL_729923 (CHEMBL1695277)	Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry
50033066	1	ChEMBL_729924 (CHEMBL1695278)	Inhibition of human IGF1R in presence of 100 uM ATP
50010524	3	ChEMBL_146037 (CHEMBL754944)	Binding assay evaluated using DPPE radioligand in CHO cells transfected with mouse Opioid receptor delta 1
50010524	2	ChEMBL_145765 (CHEMBL752783)	Binding affinity against Opioid receptor delta 1
50033079	6	ChEMBL_735419 (CHEMBL1692697)	Inhibition of MRP1 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
50010524	1	ChEMBL_148706 (CHEMBL751712)	Binding assay evaluated using DAMGO radioligand in CHO cells transfected with rat Opioid receptor mu 1
50033081	3	ChEMBL_735769 (CHEMBL1693919)	Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) assessed as N-methyldihydronicotinamide oxidation per mg of protein after 1 hr by LC-MS analysis analysis
50033095	5	ChEMBL_736466 (CHEMBL1694294)	Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50010525	2	ChEMBL_148841 (CHEMBL873069)	Affinity towards human Opioid receptor mu 1 on CHO cell membranes using [3H]DAMGO displacement.
50033095	6	ChEMBL_736468 (CHEMBL1694296)	Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50033095	7	ChEMBL_736469 (CHEMBL1694297)	Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50033095	8	ChEMBL_736470 (CHEMBL1694298)	Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50033136	3	ChEMBL_741201 (CHEMBL1764523)	Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr
50033136	11	ChEMBL_741309 (CHEMBL1764778)	Inhibition of INSR
50033136	2	ChEMBL_741200 (CHEMBL1764522)	Inhibition of human IGF1R
50033136	12	ChEMBL_741202 (CHEMBL1764524)	Inhibition of IGF1-induced human IGF1R phosphorylation expressed in rat fibroblast cells preincubated with compound for 1 hr
50033153	8	ChEMBL_741140 (CHEMBL1764411)	Displacement of [125I]NDP-alpha-MSH from human MC3 receptor expressed in CHO cells
50033153	3	ChEMBL_741141 (CHEMBL1764412)	Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
50033153	1	ChEMBL_741139 (CHEMBL1764410)	Displacement of [125I]NDP-alpha-MSH from human MC1 receptor expressed in CHO cells
50033153	6	ChEMBL_741173 (CHEMBL1764495)	Agonist activity at human MC5 receptor expressed in CHO cells assessed as cAMP accumulation
50033153	9	ChEMBL_741142 (CHEMBL1764413)	Displacement of [125I]NDP-alpha-MSH from human MC5 receptor expressed in CHO cells
50033153	10	ChEMBL_741172 (CHEMBL1764494)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as cAMP accumulation
50033158	2	ChEMBL_741437 (CHEMBL1763696)	Inhibition of human recombinant BACE1 preincubated after 1 hr by fluorescence assay
50033179	12	ChEMBL_739837 (CHEMBL1762897)	Inhibition of IR
50033192	1	ChEMBL_740480 (CHEMBL1764635)	Inhibition of human BACE-1
50033192	4	ChEMBL_740482 (CHEMBL1764637)	Inhibition of human BACE-1-mediated amyloid beta 40 release in APP-transfected human CHO cells
50010529	3	ChEMBL_27568 (CHEMBL637242)	Binding Affinity towards Adenosine A1 receptor expressed in CHO-K1 cells versus [3H]CCPA
50010529	6	ChEMBL_30303 (CHEMBL639472)	Inhibitory activity on NECA-induced cyclic-AMP accumulation in CHO-K1 cells expressing human Adenosine A2B receptor
50010529	5	ChEMBL_27437 (CHEMBL642661)	Inhibitory activity against cyclic AMP production in human Adenosine A1 receptor assay
50010529	9	ChEMBL_31853 (CHEMBL643930)	Binding affinity towards adenosine A3 receptor expressed in HEK293 cells versus [125I]AB-MECA
50010529	2	ChEMBL_31350 (CHEMBL641571)	Binding Affinity for adenosine A2A receptor expressed in HEK293 cells compared to [3H]CGS-21680
50010529	7	ChEMBL_31349 (CHEMBL641570)	Binding Affinity towards Adenosine A2A receptor expressed in HEK293 cells versus [3H]CGS-21680
50010529	8	ChEMBL_27438 (CHEMBL643298)	Inhibitory activity against cyclic AMP production in rat Adenosine A1 receptor assay
50010529	12	ChEMBL_31554 (CHEMBL644505)	Inhibitory activity against cyclic AMP production in human adenosine A3 receptor assay
50010529	1	ChEMBL_30300 (CHEMBL639469)	Inhibitory activity against cyclic AMP production in human Adenosine A2B receptor assay
50010529	11	ChEMBL_31210 (CHEMBL640306)	Inhibitory activity against cyclic AMP production in rat Adenosine A2A receptor assay
50010529	4	ChEMBL_30299 (CHEMBL639468)	Inhibitory activity against cyclic AMP production in human Adenosine A2B receptor assay
50010529	10	ChEMBL_27430 (CHEMBL884114)	Binding Affinity for Adenosine A1 receptor expressed in CHO-K1 cells compared to [3H]CCPA
50033197	16	ChEMBL_741997 (CHEMBL1768757)	Inhibition of P110 alpha/p85alpha
50033197	15	ChEMBL_741998 (CHEMBL1768758)	Inhibition of P110delta/P85alpha
50033197	14	ChEMBL_742000 (CHEMBL1768760)	Inhibition of DNA-PK
50033199	2	ChEMBL_742335 (CHEMBL1768784)	Inhibition of PDK1-mediated RSK phosphorylation at Ser221 residue in human PC3 cells by ELISA
50033199	1	ChEMBL_742334 (CHEMBL1768783)	Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA
50033199	17	ChEMBL_742329 (CHEMBL1768778)	Inhibition of PDK1
50033199	18	ChEMBL_742332 (CHEMBL1768781)	Inhibition of ALK5
50033199	19	ChEMBL_742333 (CHEMBL1768782)	Inhibition of ROCK1
50033199	20	ChEMBL_742331 (CHEMBL1768780)	Inhibition of aurora B
50033199	21	ChEMBL_742330 (CHEMBL1768779)	Inhibition of aurora A
50033199	22	ChEMBL_742435 (CHEMBL1769083)	Inhibition of IKK1
50033199	3	ChEMBL_742336 (CHEMBL1768785)	Inhibition of PDK1-mediated AKT phosphorylation at Ser473 in human PC3 cells by ELISA
50033203	8	ChEMBL_742685 (CHEMBL1769563)	Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding
50033203	9	ChEMBL_742674 (CHEMBL1769552)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells
50033203	7	ChEMBL_742683 (CHEMBL1769561)	Agonist activity at human opioid delta receptor expressed in mouse HN9.10 cells assessed as [35S]GTPgammaS binding
50033203	10	ChEMBL_742675 (CHEMBL1769553)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50033203	11	ChEMBL_742677 (CHEMBL1769555)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells
50033203	12	ChEMBL_742678 (CHEMBL1769556)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cells
50033217	32	ChEMBL_742045 (CHEMBL1768908)	Inhibition of FLT3
50033217	20	ChEMBL_742159 (CHEMBL1769219)	Inhibition of SRC
50033217	45	ChEMBL_742136 (CHEMBL1769196)	Inhibition of KIT
50033217	74	ChEMBL_741888 (CHEMBL1768449)	Inhibition of c-Kit after 45 mins by radiometric phosphate incorporation assay
50033217	33	ChEMBL_742046 (CHEMBL1768909)	Inhibition of FMS
50033217	75	ChEMBL_742130 (CHEMBL1769190)	Inhibition of IR
50033217	65	ChEMBL_742031 (CHEMBL1768894)	Inhibition of CHEK1
50033217	76	ChEMBL_742154 (CHEMBL1769214)	Inhibition of ROCK2
50033217	77	ChEMBL_742030 (CHEMBL1768893)	Inhibition of CDK1
50033217	78	ChEMBL_742129 (CHEMBL1769189)	Inhibition of IKKalpha
50033217	79	ChEMBL_742155 (CHEMBL1769215)	Inhibition of RON
50033217	80	ChEMBL_742033 (CHEMBL1768896)	Inhibition of CHK1
50033226	16	ChEMBL_743110 (CHEMBL1768686)	Inhibition of RON
50033229	2	ChEMBL_743334 (CHEMBL1767581)	Inhibition of human dUTPase by spectrophotometric analysis
50033230	8	ChEMBL_743384 (CHEMBL1767683)	Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay
50033230	5	ChEMBL_743386 (CHEMBL1767685)	Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy
50033230	1	ChEMBL_743338 (CHEMBL1767585)	Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay
50033230	9	ChEMBL_743396 (CHEMBL1767695)	Competitive inhibition of full length recombinant ATR Morrison equation analysis
50033232	9	ChEMBL_743612 (CHEMBL1768155)	Inhibition of human recombinant MMP9 after 60 mins by fluorescence plate reader
50033232	10	ChEMBL_743597 (CHEMBL1768097)	Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader
50033232	11	ChEMBL_743596 (CHEMBL1768096)	Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader
50033232	12	ChEMBL_743598 (CHEMBL1768098)	Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader
50033232	13	ChEMBL_743599 (CHEMBL1768099)	Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader
50033234	12	ChEMBL_743701 (CHEMBL1767470)	Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033238	3	ChEMBL_743275 (CHEMBL1769029)	Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by scintillation proximity assay
50033238	7	ChEMBL_743285 (CHEMBL1767484)	Agonist activity at P2Y2 receptor
50033238	8	ChEMBL_743286 (CHEMBL1767485)	Agonist activity at P2Y4 receptor
50033257	4	ChEMBL_743651 (CHEMBL1768194)	Agonist activity at human NTS2 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activity
50033257	5	ChEMBL_743647 (CHEMBL1768190)	Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells
50033257	6	ChEMBL_743646 (CHEMBL1768189)	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells
50033257	3	ChEMBL_743649 (CHEMBL1768192)	Agonist activity at human NTS1 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activity
50033275	7	ChEMBL_744989 (CHEMBL1772004)	Inhibition of Mycobacterium tuberculosis rpiB
50033277	4	ChEMBL_745056 (CHEMBL1772132)	Inhibition of Cav1.2
50033285	5	ChEMBL_744413 (CHEMBL1772367)	Binding affinity to low affinity melatonin (MT3) site of quinone reductase 2
50033297	11	ChEMBL_744289 (CHEMBL1772146)	Inhibition of MMP14
50033297	12	ChEMBL_744287 (CHEMBL1772144)	Inhibition of MMP9
50033297	13	ChEMBL_744255 (CHEMBL1772062)	Inhibition of TACE
50033299	3	ChEMBL_744351 (CHEMBL1772257)	Uncompetitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry
50033300	2	ChEMBL_744512 (CHEMBL1772533)	Binding affinity to mGluR1 by PET analysis
50033304	7	ChEMBL_744872 (CHEMBL1772893)	Inhibition of human MMP13
50033304	8	ChEMBL_744874 (CHEMBL1772895)	Inhibition of human MMP14
50033304	9	ChEMBL_744871 (CHEMBL1772892)	Inhibition of human MMP9
50033306	9	ChEMBL_744954 (CHEMBL1771913)	Inhibition of human MMP-9
50033306	10	ChEMBL_744956 (CHEMBL1771915)	Inhibition of human MMP-14
50033306	11	ChEMBL_744950 (CHEMBL1771909)	Inhibition of human MMP-2
50033306	12	ChEMBL_744955 (CHEMBL1771914)	Inhibition of human MMP-13
50033309	3	ChEMBL_744132 (CHEMBL1771831)	Inhibition of human recombinant BACE-1 expressed in HEK293 cells assessed as inhibition of amyloid precursor protein cleavage into amyloid beta after 60 mins using Rh-EVNLDAEFK-Quencher as a substrate by FRET assay
50033309	1	ChEMBL_744133 (CHEMBL1771832)	Noncompetitive inhibition of human recombinant BACE-1 by Dixon plot analysis
50033312	5	ChEMBL_745279 (CHEMBL1775311)	Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as stimulation of intracellular cAMP production after 30 mins of washing by wash-off assay
50033317	11	ChEMBL_745563 (CHEMBL1775880)	Inhibition of human mTOR
50033317	8	ChEMBL_745549 (CHEMBL1775866)	Inhibition of mTOR assessed as inhibition of 4EBP1 phosphorylation by TR-FRET assay
50033317	12	ChEMBL_745555 (CHEMBL1775872)	Inhibition of DNA-PK after 30 mins by TR-FRET assay
50033317	7	ChEMBL_745548 (CHEMBL1775865)	Inhibition of human PI3Kalpha expressed in Sf9 cells
50033318	5	ChEMBL_745569 (CHEMBL1775886)	Displacement of [3H]DADLE from delta opioid receptor
50033320	8	ChEMBL_745626 (CHEMBL1775996)	Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells
50033320	9	ChEMBL_745624 (CHEMBL1775994)	Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells
50033320	10	ChEMBL_745625 (CHEMBL1775995)	Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells
50010543	1	ChEMBL_210045 (CHEMBL812446)	Inhibitory activity against Trypanosoma cruzi trypanothione disulfide reductase, assay in presence of 57 uM T(S)2.
50033320	7	ChEMBL_745630 (CHEMBL1776000)	Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells assessed as specific binding remaining at 1 mM
50033338	1	ChEMBL_747086 (CHEMBL1777452)	Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) after 30 mins by FRET based assay
50033338	3	ChEMBL_747144 (CHEMBL1777510)	Inhibition of SARS coronavirus recombinant 3C-like protease expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis
50033339	66	ChEMBL_747265 (CHEMBL1776524)	Inhibition of CHK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	62	ChEMBL_747260 (CHEMBL1776519)	Inhibition of CDK1/CYCB assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	60	ChEMBL_747259 (CHEMBL1776518)	Inhibition of CDC7/DBF4 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	65	ChEMBL_747264 (CHEMBL1776523)	Inhibition of CDK5/P25 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	67	ChEMBL_745946 (CHEMBL1775245)	Inhibition of VEGFR3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	61	ChEMBL_747261 (CHEMBL1776520)	Inhibition of CDK2/CYCA assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	68	ChEMBL_747256 (CHEMBL1776515)	Inhibition of Aur-B assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	63	ChEMBL_747263 (CHEMBL1776522)	Inhibition of CDK4/CYCD1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	69	ChEMBL_745845 (CHEMBL1776215)	Inhibition of IR assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	64	ChEMBL_747262 (CHEMBL1776521)	Inhibition of CDK2/CYCE assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	70	ChEMBL_747254 (CHEMBL1776513)	Inhibition of ALK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033344	8	ChEMBL_746789 (CHEMBL1777019)	Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50033344	9	ChEMBL_746703 (CHEMBL1776828)	Displacement of [3H]U69563 from human kappa-opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50033344	1	ChEMBL_746793 (CHEMBL1777023)	Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50033344	10	ChEMBL_746702 (CHEMBL1776827)	Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50033344	3	ChEMBL_746791 (CHEMBL1777021)	Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50033344	2	ChEMBL_746792 (CHEMBL1777022)	Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033346	9	ChEMBL_747179 (CHEMBL1777642)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting
50033346	10	ChEMBL_747005 (CHEMBL1777371)	Agonist activity at human MC1R expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation
50033346	5	ChEMBL_747180 (CHEMBL1777643)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting
50033346	2	ChEMBL_747171 (CHEMBL1777634)	Agonist activity at human MC3R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50033346	11	ChEMBL_747181 (CHEMBL1777644)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting
50033348	8	ChEMBL_745960 (CHEMBL1775259)	Inhibition of IKK1
50033351	15	ChEMBL_746717 (CHEMBL1776842)	Inhibition of human JAK2
50033351	14	ChEMBL_746724 (CHEMBL1776849)	Inhibition of human CDK2/cyclinE
50033351	16	ChEMBL_746713 (CHEMBL1776838)	Inhibition of JAK2 after 60 min
50033351	2	ChEMBL_746714 (CHEMBL1776839)	Inhibition of JAK3 after 60 min
50010548	1	ChEMBL_71094 (CHEMBL678545)	Affinity for human glucocorticoid receptor
50010549	2	ChEMBL_30808 (CHEMBL645083)	Inhibition of Calf intestinal adenosine deaminase (ADA).
50010549	1	ChEMBL_31886 (CHEMBL645676)	Inhibition of recombinant human E-type adenylate deaminase
50033351	17	ChEMBL_746729 (CHEMBL1776854)	Inhibition of human InsR
50033363	6	ChEMBL_747536 (CHEMBL1777070)	Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay
50033363	7	ChEMBL_747535 (CHEMBL1777069)	Inhibition of purified COX1 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay
50033363	2	ChEMBL_747537 (CHEMBL1777071)	Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA
50033363	8	ChEMBL_747539 (CHEMBL1777073)	Inhibition of LTA4 hydrolase in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 0.5 hrs by ELISA
50033363	3	ChEMBL_747538 (CHEMBL1777072)	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs by ELISA
50023488	2	ChEMBL_506876 (CHEMBL947577)	Inhibition of COX2
50033366	9	ChEMBL_748269 (CHEMBL1781279)	Inhibition of aurora B
50033366	4	ChEMBL_748278 (CHEMBL1781288)	Inhibition of aurora A
50033368	10	ChEMBL_748393 (CHEMBL1781557)	Inhibition of MMP14
50033368	11	ChEMBL_748391 (CHEMBL1781555)	Inhibition of MMP9
50033375	11	ChEMBL_748606 (CHEMBL1780459)	Inhibition of Cav1.2 calcium channel
50033375	3	ChEMBL_748591 (CHEMBL1780444)	Inhibition of human GPR40 expressed in CHO cells by SPA based binding assay
50033375	12	ChEMBL_748593 (CHEMBL1780446)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 0.4% serum albumin
50033375	4	ChEMBL_748592 (CHEMBL1780445)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as [3H]IP3 production in presence of 10% human serum
50033375	1	ChEMBL_748546 (CHEMBL1780399)	Agonist activity at human GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assay
50033381	7	ChEMBL_748140 (CHEMBL1781819)	Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP production by [125I]-cAMP scintillation proximity assay
50033381	3	ChEMBL_748139 (CHEMBL1781769)	Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay
50033383	2	ChEMBL_747826 (CHEMBL1781025)	Inhibition of ALK using FL-Peptide 13, 5-FAM-KKSRGDYMTMQIG-CONH2 substrate after 60 mins by mobility shift assay
50033388	4	ChEMBL_748500 (CHEMBL1780353)	Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate
50033390	3	ChEMBL_748632 (CHEMBL1780485)	Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-induced calcium flux
50033408	9	ChEMBL_749069 (CHEMBL1780666)	Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA
50033408	1	ChEMBL_749068 (CHEMBL1780665)	Antagonist activity at P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced YOPRO-1 uptake
50033408	3	ChEMBL_749071 (CHEMBL1780668)	Antagonist activity at P2X7 receptor in human LPS-stimulated monocytes assessed as inhibition of ATP-induced IL1-beta release by ELISA in presence of human blood
50033413	2	ChEMBL_749248 (CHEMBL1781191)	Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay
50010571	1	ChEBML_30135	Displacement of [3H]CGS-21680 (Kd, 14.9 nM) from A2A receptor in rat striatal membranes
50010571	2	ChEBML_6713	Displacement of [3H]N6-PIA binding from A1 receptor in whole rat brain membranes
50010571	3	ChEMBL_6713 (CHEMBL624585)	Displacement of [3H]N6-PIA binding from A1 receptor in whole rat brain membranes
50010572	1	ChEBML_48320	Inhibitory activity against human cysteine protease, cathepsin K.
50033417	6	ChEMBL_748931 (CHEMBL1781379)	Antagonist activity at human P2X7 receptor by calcium flux assay
50033417	7	ChEMBL_748941 (CHEMBL1781389)	Inhibition of PDE11
50033417	8	ChEMBL_748940 (CHEMBL1781388)	Inhibition of PDE5
50010577	2	ChEMBL_80613 (CHEMBL690005)	Inhibitory concentration against wild-type human immunodeficiency virus (HIV-WT) protease
50033421	12	ChEMBL_749093 (CHEMBL1780690)	Antagonist activity at human CRTh2 receptor expressed in HEK cells assessed as inhibition of PGD2-induced calcium flux
50033421	1	ChEMBL_749090 (CHEMBL1780687)	Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay
50033421	10	ChEMBL_749098 (CHEMBL1780695)	Antagonist activity at human CRTh2 receptor expressed in CHO cells assessed as inhibition of PGD2-induced calcium flux in presence of 1% bovine serum albumin
50010579	3	ChEBML_226347	Inhibitory activity against serine protease factor Xa (fXa) was determined
50010579	2	ChEBML_208507	Inhibitory activity against thrombin was determined
50010579	1	ChEMBL_197821 (CHEMBL802350)	Inhibitory activity against serine protease factor Xa (fXa) was determined
50033423	2	ChEMBL_749161 (CHEMBL1780758)	Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting
50033426	4	ChEMBL_748734 (CHEMBL1780587)	Inhibition of PDE5a
50033440	19	ChEMBL_752094 (CHEMBL1786258)	Inhibition of RON expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033441	3	ChEMBL_752210 (CHEMBL1786675)	Antagonist activity at human TRPV1 expressed in HEK293 cell assessed as inhibition of capsaicin-induced calcium flux by fluorometric analysis
50033443	1	ChEMBL_751026 (CHEMBL1786811)	Agonist activity at human P2Y2
50033443	6	ChEMBL_751013 (CHEMBL1786668)	Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by scintillation proximity assay
50033443	2	ChEMBL_751027 (CHEMBL1786812)	Agonist activity at human P2Y4
50033446	10	ChEMBL_751103 (CHEMBL1787040)	Inhibition of recombinant human MMP-14 assessed as substrate cleavage after 20 hrs by fluorescence assay
50033446	11	ChEMBL_751108 (CHEMBL1787045)	Inhibition of recombinant human MMP-9 assessed as substrate cleavage after 20 hrs by fluorescence assay
50010585	1	ChEBML_225789	Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi
50010587	3	ChEBML_85970	Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand at a concentration of 1000 nM
50010587	1	ChEMBL_85970 (CHEMBL693290)	Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand at a concentration of 1000 nM
50010587	2	ChEMBL_85971 (CHEMBL693291)	Binding affinity towards human CCR5 receptor in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as radioligand at a concentration of 4000 nM
50010588	2	ChEBML_49838	Compound concentration that causes 50 % inhibition of binding of specific radioligand to human CCR3 receptor
50010588	1	ChEBML_49830	Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor
50010588	5	ChEBML_49837	Compound concentration that causes 50 % inhibition of binding of specific radioligand to human CCR4 receptor
50010588	6	ChEMBL_49830 (CHEMBL662150)	Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor
50010588	3	ChEBML_49835	Compound concentration that causes 50 % inhibition of binding of specific radioligand to human CCR1 receptor
50010588	4	ChEBML_49836	Compound concentration that causes 50 % inhibition of binding of specific radioligand to human CCR2 receptor
50033446	12	ChEMBL_751101 (CHEMBL1787038)	Inhibition of ADAMTS-5 assessed as substrate cleavage after 16 hrs by fluorescence assay
50010590	3	ChEBML_197813	Inhibitory activity against Serine protease chymotrypsin
50010592	2	ChEBML_152994	Binding affinity for protein kinase C delta
50010592	1	ChEBML_153122	Binding affinity for protein kinase C epsilon
50010594	2	ChEBML_4299	Tested for the inhibitory activity against 5-lipoxygenase
50033446	13	ChEMBL_751100 (CHEMBL1787037)	Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay
50010597	5	ChEBML_104720	Inhibition of Matrix metalloprotease-3
50010597	1	ChEBML_104377	Inhibition of Matrix metalloprotease-2
50010597	2	ChEBML_105977	Inhibition of Matrix metalloprotease-1
50010597	4	ChEBML_106483	Inhibition of Matrix metalloprotease-13
50010597	3	ChEMBL_105976 (CHEMBL713989)	Inhibition ofMatrix metalloprotease-1
50010600	3	ChEBML_154470	In vitro inhibitory activity against human recombinant PTP1B phosphatase enzyme
50010600	1	ChEMBL_214527 (CHEMBL819519)	In vitro inhibitory activity against human recombinant VHR phosphatase enzyme
50035192	6	ChEMBL_219473 (CHEMBL824221)	Inhibition of cloned isozyme, human carbonic anhydrase IV
50010600	7	ChEMBL_162254 (CHEMBL770121)	In vitro inhibitory activity against human recombinant Protein-tyrosine phosphatase 1B
50010600	2	ChEMBL_49026 (CHEMBL662065)	In vitro inhibitory activity against human recombinant Cell division cycle 25B
50010600	4	ChEBML_214527	In vitro inhibitory activity against human recombinant VHR phosphatase enzyme
50033450	4	ChEMBL_751576 (CHEMBL1787637)	Binding affinity at PKCalpha after 1 hr by luminescent kinase assay
50033451	32	ChEMBL_751367 (CHEMBL1785328)	Inhibition of human IR using poly[Glu:Tyr] by Hotspot assay
50033451	30	ChEMBL_751372 (CHEMBL1785333)	Inhibition of human LYN using poly[Glu:Tyr] by Hotspot assay
50033451	28	ChEMBL_751378 (CHEMBL1785339)	Inhibition of wild type human ABL using [EAIYAAPFAKKK] peptide substrate by Hotspot assay
50033451	33	ChEMBL_751831 (CHEMBL1785586)	Inhibition of human VEGFR3 using poly[Glu:Tyr] by Hotspot assay
50033451	31	ChEMBL_751815 (CHEMBL1785570)	Inhibition of human CDK2/Cyclin E using Histone H1 substrate by Hotspot assay
50033451	34	ChEMBL_751371 (CHEMBL1785332)	Inhibition of human FLT3 using EAIYAAPFAKKK peptide substrate by Hotspot assay
50033467	4	ChEMBL_749913 (CHEMBL1786743)	Antagonist activity at human mGluR1
50010602	2	ChEBML_145963	Tested for binding affinity towards Opioid receptor kappa 1
50010604	1	ChEBML_51283	Binding affinity towards Corticotropin releasing hormone receptor type 1 of rat cerebellum using [125I]Tyr-sauvagine as radioligand.
50010608	3	ChEBML_63625	Compound was tested for inhibition of Elastase
50010608	4	ChEBML_197812	Compound was tested for inhibition of Serine protease chymotrypsin
50010609	1	ChEBML_78442	Effective concentration for antagonistic activity by inhibition of T-tropic strain of HIV-1 through its specific binding to a chemokine receptor
50010611	4	ChEBML_948	In vitro binding affinity towards cloned human 5-hydroxytryptamine 1A receptor expressed in Chinese hamster ovary (CHO) cells using [3H]8-OH-DPAT as radioligand
50010611	2	ChEBML_61456	In vitro binding affinity towards cloned human Dopamine receptor D2A using [3H]- Raclopride as radioligand.
50010611	1	ChEBML_1409	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand in rat hippocampus membrane.
50010611	3	ChEBML_3756	In vitro binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor using [3H]5-HT as radioligand
50010613	1	ChEBML_64200	In vitro inhibitory activity was tested against Endothelin converting enzyme 1
50010614	1	ChEBML_38797	In vitro efficacy at human beta-3 adrenergic receptor.
50010657	3	ChEMBL_225404 (CHEMBL846602)	Compound was evaluated for its inhibitory activity against Klenow enzyme
50033474	3	ChEMBL_750532 (CHEMBL1786293)	Displacement of [3H]3-methoxy-5-(2-pyridinylethynyl) pyridine from mGluR5 allosteric site
50033474	10	ChEMBL_750453 (CHEMBL1786005)	Non-competitive antagonist activity at mGluR5
50010620	4	ChEBML_200365	Binding affinity to Somatostatin receptor type 2 was determined
50010620	2	ChEBML_200520	Binding affinity to hsst3 was determined
50010620	3	ChEBML_200509	Binding affinity to hsst5 was determined
50010620	1	ChEMBL_200365 (CHEMBL805713)	Binding affinity to Somatostatin receptor type 2 was determined
50010622	3	ChEBML_68481	Inhibitory activity against Farnesyltransferase
50010622	2	ChEMBL_194934 (CHEMBL879065)	Inhibition of recombinant prenyl protein-specific protease Rce1 expressed in Sf9 cells at 10 uM
50010622	1	ChEBML_194934	Inhibition of recombinant prenyl protein-specific protease Rce1 expressed in Sf9 cells at 10 uM
50010626	1	ChEBML_40026	Concentration required to displace 0.4 nM [3H]SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulfonyl fluoride
50033474	11	ChEMBL_750535 (CHEMBL1786296)	Inhibition of mGluR1
50033475	8	ChEMBL_750546 (CHEMBL1786307)	Inhibition of PDE5
50033476	2	ChEMBL_750653 (CHEMBL1785499)	Inhibition of BACE1 using peptide substrate Rh-EVNLDAEFKQuencher by fluorescence resonance energy transfer (FRET) assay
50010631	5	ChEBML_41519	Compound was evaluated for the selective and competitive inhibition of Beta-xylosidase from Aspergillus pulverulentus
50033485	12	ChEMBL_750030 (CHEMBL1787307)	Inhibition of Chk1
50033485	13	ChEMBL_750028 (CHEMBL1787305)	Inhibition of CDK1
50033518	8	ChEMBL_753770 (CHEMBL1799651)	Inhibition of human MMP9 by fluorometric assay
50033518	9	ChEMBL_753771 (CHEMBL1799652)	Inhibition of human MMP14 by fluorometric assay
50010636	2	ChEBML_201991	Displacement of [3H]paroxetine from Serotonin transporter of rat frontal cortex membrane
50010636	1	ChEBML_62001	Displacement of [125I]RTI-55 from Dopamine transporter of rat striatal membrane
50010637	2	ChEBML_141789	Binding affinity towards NK2 receptor
50010637	1	ChEBML_141779	Binding affinity towards NK1 receptor
50033528	6	ChEMBL_752868 (CHEMBL1798602)	Inhibition of p38alpha kinase in human monocytes
50033528	5	ChEMBL_752865 (CHEMBL1798599)	Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells
50033528	35	ChEMBL_752890 (CHEMBL1798624)	Inhibition of ALK
50033528	36	ChEMBL_753063 (CHEMBL1798991)	Inhibition of ROCK II
50033528	37	ChEMBL_752779 (CHEMBL1798415)	Inhibition of p38alpha kinase
50033528	38	ChEMBL_752887 (CHEMBL1798621)	Inhibition of IKK1
50033532	2	ChEMBL_753192 (CHEMBL1799285)	Inhibition of BACE1 by cell-free FRET assay
50033535	9	ChEMBL_753402 (CHEMBL1799737)	Inhibition of human recombinant renin using Q-FRET substrate after 3 hrs by fluorescence assay
50010641	1	ChEBML_71723	Ability to displace [125I]- - radio-labeled buserelin from rat Gonadotropin-releasing hormone receptor
50010642	1	ChEBML_71725	Binding affinity to rat Gonadotropin-releasing hormone receptor.
50033535	2	ChEMBL_753403 (CHEMBL1799738)	Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr
50033535	10	ChEMBL_753598 (CHEMBL1799315)	Time dependent inhibition of CYP3A4 assessed as conversion of testosterone to 6-beta-hydroxytestosterone
50033535	5	ChEMBL_753597 (CHEMBL1799314)	Time dependent inhibition of CYP3A4 assessed as conversion of testosterone to 6-beta-hydroxytestosterone preincubated for 30 mins
50010644	1	ChEBML_208114	Inhibition of Escherichia coli Translocase (mraY)
50010646	3	ChEBML_70433	Inhibition of [3H]FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase
50010646	2	ChEBML_70434	Inhibition of [3H]FPP incorporation into recombinant Ras-CVIM by human farnesyl transferase
50010657	4	ChEMBL_225406 (CHEMBL846604)	Inhibitory concentration against human telomerase
50010647	3	ChEBML_223470	Aminoacylation activity against Candida albicans prolyl-tRNA synthetase
50010651	1	ChEBML_63862	Ability to bind with Endothelin B receptor competitively in the presence of (125 I) endothelin using receptor binding assay.
50010651	2	ChEBML_65792	Ability to bind with Endothelin A receptor competitively in the presence of (125 I) endothelin using receptor binding assay.
50033537	4	ChEMBL_754000 (CHEMBL1798383)	Inhibition of ALK
50033537	2	ChEMBL_754001 (CHEMBL1798384)	Inhibition of autophosphorylation of NPM-ALK in human Karpas-299 cells
50033537	5	ChEMBL_754002 (CHEMBL1798385)	Inhibition of IR
50010653	2	ChEMBL_2617 (CHEMBL621529)	Binding affinity against 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells using [3H]ketanserin
50010653	1	ChEBML_2615	Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain using [3H]ketanserin as radioligand
50010654	6	ChEBML_104575	Ability to inhibit the matrix metalloprotease-3 by method of Knight et al using the fluorogenic peptide substrate.
50010654	1	ChEBML_106803	Ability to inhibit the matrix metalloprotease-2 by method of Knight et al using the fluorogenic peptide substrate.
50010654	5	ChEMBL_104398 (CHEMBL715001)	Inhibition of Matrix metalloprotease-2
50010654	3	ChEBML_105949	Inhibition of Matrix metalloprotease-1
50010654	2	ChEMBL_104739 (CHEMBL710739)	Inhibition of Matrix metalloprotease-3
50010655	2	ChEBML_104580	Concentration required to inhibit the catalytic domain Matrix metalloprotease-3 using Nagase fluorogenic as a substrate.
50010655	5	ChEBML_106807	Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.
50010655	6	ChEBML_105953	Inhibition of Matrix metalloprotease-1
50010655	1	ChEBML_106472	Inhibition of Matrix metalloprotease-13
50033538	7	ChEMBL_752629 (CHEMBL1799694)	Inhibition of DNA-PK
50033538	8	ChEMBL_754108 (CHEMBL1798651)	Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay
50033549	3	ChEMBL_754403 (CHEMBL1799366)	Inhibition of purified DNA-PK by ADP-Glo Kinase assay
50033549	1	ChEMBL_754402 (CHEMBL1799365)	Inhibition of DNA-PK
50033561	9	ChEMBL_755406 (CHEMBL1804722)	Inhibition of human recombinant HDAC5 using fluor de Lys as substrate by fluorometric analysis
50033562	15	ChEMBL_755649 (CHEMBL1805474)	Inhibition of CDK9/cyclinT assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	13	ChEMBL_755643 (CHEMBL1805468)	Inhibition of CDK1/cyclinB1 assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	17	ChEMBL_755648 (CHEMBL1805473)	Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	18	ChEMBL_755645 (CHEMBL1805470)	Inhibition of CDK4/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	16	ChEMBL_755647 (CHEMBL1805472)	Inhibition of CDK6/cyclinD1 assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	14	ChEMBL_755644 (CHEMBL1805469)	Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assay
50033562	19	ChEMBL_754581 (CHEMBL1806284)	Inhibition of CAMKKbeta
50033566	2	ChEMBL_755664 (CHEMBL1805489)	Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation
50033586	2	ChEMBL_756213 (CHEMBL1804763)	Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as choline release using lysophosphatidylcholine as substrate after 4 hrs by choline release assay
50033589	1	ChEMBL_756374 (CHEMBL1805400)	Displacement of radioligand from human adrenergic beta2 receptor
50033589	8	ChEMBL_756373 (CHEMBL1805399)	Binding affinity to human adrenergic beta2 receptor by radioligand binding assay
50033611	3	ChEMBL_757435 (CHEMBL1804255)	Inhibition of CDK1 in presence of 100 uM ATP
50033616	10	ChEMBL_757637 (CHEMBL1804894)	Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033620	1	ChEMBL_755353 (CHEMBL1804509)	Displacement of [3H]CGP-12177 from human beta2-adrenergic receptor expressed in HEK 293 cells
50033620	5	ChEMBL_755360 (CHEMBL1804516)	Displacement of [125I]-CYP from human beta2-adrenergic receptor expressed in COS-7 cells by gamma counting
50033620	7	ChEMBL_755355 (CHEMBL1804511)	Agonist activity at human beta2 adrenergic receptor expressed in HEK 293 cells assessed as stimulation of cAMP accumulation by protein kinase binding assay
50033623	4	ChEMBL_754900 (CHEMBL1805884)	Binding affinity at voltage-gated calcium channel subunit alpha2delta2
50033626	5	ChEMBL_755089 (CHEMBL1805669)	Agonist activity at human MC4R expressed in CHO cells assessed as increase of alpha-MSH-stimulated cAMP release pretreated for 10 mins before alpha-MSH challenge measured after 40 mins
50033626	1	ChEMBL_755005 (CHEMBL1805907)	Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting
50010657	1	ChEBML_225405	Compound was evaluated for its inhibitory activity against Klenow enzyme, and IC50 value was reported
50035193	7	ChEMBL_209906 (CHEMBL811910)	Inhibition of Tat peptide binding to HIV-1 TAR RNA
50010657	2	ChEMBL_225405 (CHEMBL846603)	Compound was evaluated for its inhibitory activity against Klenow enzyme, and IC50 value was reported
50035193	5	ChEMBL_196790 (CHEMBL799733)	Dissociation constant was determined in presence of Rev Response Element RNA IIB
50035193	8	ChEMBL_196788 (CHEMBL799731)	Inhibitory activity against peptide binding to the Rev Response Element RNA IIB was determined
50035193	4	ChEMBL_209907 (CHEMBL811911)	Dissociation constant for TAR RNA
50010658	1	ChEBML_52417	Concentration required to inhibit human Cytosolic phospholipase A2
50033629	22	ChEMBL_755600 (CHEMBL1805340)	Inhibition of Chk1
50033629	23	ChEMBL_755593 (CHEMBL1805333)	Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay
50033629	24	ChEMBL_755622 (CHEMBL1805362)	Inhibition of PKCa
50033629	25	ChEMBL_755624 (CHEMBL1805364)	Inhibition of Rock2
50010660	1	ChEBML_830	Binding affinity to 5-hydroxytryptamine 1A receptor of rat hippocampus with [3H]8-OH-DPAT as radioligand
50010660	2	ChEBML_58565	Binding affinity to Dopamine receptor D2 in of rat striatum membrane with [3H]- raclopride as radioligand
50010663	2	ChEMBL_217832 (CHEMBL822752)	Inhibitory activity of the compound against canine COX-2
50010663	3	ChEMBL_217831 (CHEMBL822751)	Inhibitory activity against cell-free canine COX-2
50010664	1	ChEMBL_202589 (CHEMBL806413)	Inhibition of binding to Src SH2 domain
50010666	3	ChEMBL_50711 (CHEMBL666790)	Inhibition of human placental microsome cytochrome P450 19A1 aromatase
50010666	1	ChEMBL_50716 (CHEMBL666795)	Inhibition of human placental microsome cytochrome P450 19A1 aromatase
50010666	2	ChEMBL_204437 (CHEMBL811230)	Inhibition of human testicular microsome Steroid 17-alpha-hydroxylase/17,20 lyase
50033630	9	ChEMBL_754463 (CHEMBL1806088)	Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	10	ChEMBL_754465 (CHEMBL1806090)	Inhibition of human MMP14 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	11	ChEMBL_754459 (CHEMBL1806084)	Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	12	ChEMBL_754464 (CHEMBL1806089)	Inhibition of human MMP13 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033634	11	ChEMBL_758558 (CHEMBL1811739)	Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cells after 50 mins by beta liquid scintillation counter
50033634	12	ChEMBL_758560 (CHEMBL1811741)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 50 mins by beta liquid scintillation counter
50033634	13	ChEMBL_758568 (CHEMBL1811749)	Antagonist activity at adrenergic beta2 receptor expressed in HEK293 cells co-transfected with Galpha16 assessed as inhibition of adrenaline-induced intracellular calcium after 3 to 5 mins by Fluo-4/AM assay
50033634	14	ChEMBL_758556 (CHEMBL1811737)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells after 50 mins by beta liquid scintillation counter
50033641	4	ChEMBL_757806 (CHEMBL1809750)	Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintillation counting
50033643	6	ChEMBL_758032 (CHEMBL1809449)	Inhibition of [3H]PDBu binding to PKCeta-C1B domain peptide
50033643	1	ChEMBL_758027 (CHEMBL1809444)	Inhibition of [3H]PDBu binding to PKCalpha-C1A domain peptide
50033643	13	ChEMBL_758033 (CHEMBL1809450)	Binding affinity to PKCalpha-C1A domain peptide using [3H]-labeled compound
50033643	14	ChEMBL_758038 (CHEMBL1809455)	Binding affinity to PKCeta-C1B domain peptide using [3H]-labeled compound
50033644	26	ChEMBL_758508 (CHEMBL1811586)	Inhibition of PKCalpha
50033646	4	ChEMBL_758704 (CHEMBL1810156)	Inhibition of recombinant IRK using biotinylated-poly(GT) peptide as substrate after 60 mins
50033646	5	ChEMBL_758703 (CHEMBL1810103)	Inhibition of 6xHis-tagged NPM-ALK using biotinylated-poly(GT) peptide as substrate after 60 mins
50010681	1	ChEBML_146666	Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes
50010681	2	ChEBML_145299	Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membranes
50010682	3	ChEBML_106602	Inhibition of Collagenase 3 (Matrix metalloprotease-13)
50010682	2	ChEBML_104728	Inhibition of Stromelysin (Matrix metalloprotease-3)
50010682	1	ChEBML_104385	Inhibition of gelatinase A (Matrix metalloprotease-2)
50010683	5	ChEMBL_143716 (CHEMBL753467)	In vitro ability to displace [3H](-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2
50010684	5	ChEBML_48951	Binding affinity towards Rabbit Coagulation factor X in a rabbit arterio-venous (A-V) shunt model
50010684	3	ChEBML_208311	Binding affinity towards human thrombin
50010684	1	ChEMBL_48951 (CHEMBL661664)	Binding affinity towards Rabbit Coagulation factor X in a rabbit arterio-venous (A-V) shunt model
50010684	6	ChEMBL_212732 (CHEMBL819273)	Binding affinity towards human trypsin
50010684	7	ChEMBL_212688 (CHEMBL815473)	Binding affinity towards human trypsin
50010685	2	ChEBML_161755	Inhibitory concentration against Protein phosphatase 1(10 nM) isolated from rabbit muscle
50010685	1	ChEBML_161777	Inhibitory concentration against Protein phosphatase 2A (25 nM) isolated from bovine myocardial tissue
50010686	7	ChEBML_58201	Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells
50010686	4	ChEBML_2545	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells
50010686	1	ChEMBL_2780 (CHEMBL617851)	Binding affininity of the compound to 5-hydroxytryptamine 2C receptor using [3H]-Mesulergine as radioligand in stably transfected NIH3T3 cells
50010686	6	ChEMBL_2778 (CHEMBL617773)	Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells
50010686	3	ChEBML_201497	Binding affinity to Serotonin transporter using [3H]-paroxetine as radioligand in stably transfected NIH3T3 cells
50010686	2	ChEBML_142939	Binding affinity to Norepinephrine transporter using [3H]-nisoxatine as radioligand in stably transfected NIH3T3 cells
50010686	5	ChEBML_2780	Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells
50010687	1	ChEBML_205876	Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H][Pro9]-SP as radioligand
50033657	3	ChEMBL_759574 (CHEMBL1811100)	Inhibition of human recombinant ADAMTS5 by fluorimetric assay
50033657	4	ChEMBL_759575 (CHEMBL1811101)	Inhibition of human recombinant ADAMTS4 by fluorimetric assay
50033686	7	ChEMBL_759529 (CHEMBL1811055)	Inhibition of IGF1R
50033686	3	ChEMBL_759531 (CHEMBL1811057)	Inhibition of IGF1-induced autophosphorylation of human recombinant IGF1R expressed in mouse fibroblasts by high throughput assay
50033686	4	ChEMBL_759533 (CHEMBL1811059)	Inhibition of insulin-induced autophosphorylation of human insulin receptor expressed in CHO cells
50033686	8	ChEMBL_759532 (CHEMBL1811058)	Inhibition of insulin receptor
50033690	2	ChEMBL_760409 (CHEMBL1815312)	Inhibition of CDK1
50033696	2	ChEMBL_760655 (CHEMBL1815640)	Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity measured by generation of inorganic phosphate by spectrophotometry in presence of glutathione
50033698	12	ChEMBL_760759 (CHEMBL1815744)	Inhibition of CHK1 by microfluidic mobility shift assay
50033700	4	ChEMBL_762061 (CHEMBL1816053)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in recombinant hDOR-CHO cells after 2 hrs by liquid scintillation counting
50033701	3	ChEMBL_762068 (CHEMBL1816060)	Inhibition of human whole blood COX-1 assessed as production of TXB2 after 24 hrs by EIA
50010694	2	ChEBML_101162	Concentration required for inhibition ofLipoprotein associated phospholipase A2 in rat at dose 2 umol/kg/h
50033709	4	ChEMBL_762089 (CHEMBL1816128)	Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	23	ChEMBL_762090 (CHEMBL1816129)	Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	3	ChEMBL_761527 (CHEMBL1817407)	Displacement of [3H]N-(3-(4-(4-(Benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)-phenyl)acetamide from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer
50033709	24	ChEMBL_762092 (CHEMBL1816131)	Inhibition of human cardiac sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	19	ChEMBL_762191 (CHEMBL1816262)	Inhibition of fully inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	14	ChEMBL_762200 (CHEMBL1816271)	Inhibition of 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	2	ChEMBL_761526 (CHEMBL1817406)	Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer
50010696	1	ChEBML_226002	Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay
50010697	1	ChEBML_211024	Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay
50010698	11	ChEBML_161295	Displacement of 3[H]PDBu from Protein kinase C gamma C1a domain
50010698	10	ChEBML_161450	Displacement of 3[H]PDBu from Protein kinase C theta C1b domain
50033709	10	ChEMBL_762206 (CHEMBL1816277)	Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.3 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	25	ChEMBL_762201 (CHEMBL1816272)	Inhibition of fully inactivated TTX-resistant human sodium channel Nav1.4 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	1	ChEMBL_760910 (CHEMBL1814848)	Inhibition of 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay in presence of 5% human serum albumin
50010698	2	ChEBML_160627	Displacement of 3[H]PDBu from Protein kinase C beta C1a domain
50010698	7	ChEBML_161106	Displacement of 3[H]PDBu from Protein kinase C epsilon C1a domain
50033709	21	ChEMBL_762091 (CHEMBL1816130)	Inhibition of 30% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50010698	13	ChEBML_160795	Displacement of 3[H]PDBu from Protein kinase C delta C1a domain
50033709	16	ChEMBL_762198 (CHEMBL1816269)	Inhibition of fully inactivated TTX-resistant human sodium channel Nav1.5 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50010699	4	ChEBML_161297	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain
50010699	8	ChEBML_161451	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C theta C1b domain
50010699	14	ChEBML_161112	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain
50010699	9	ChEBML_160628	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C beta C1a
50033712	18	ChEMBL_762128 (CHEMBL1816199)	Inhibition of RON
50033713	6	ChEMBL_760920 (CHEMBL1814858)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50033730	13	ChEMBL_762451 (CHEMBL1816721)	Inhibition of 12-lipoxygenase in human platelets assessed as reduction of PAR1-AP-induced 12 HETE production by LC-MS/MS analysis
50033730	14	ChEMBL_761395 (CHEMBL1817025)	Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	12	ChEMBL_761399 (CHEMBL1817029)	Competitive inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as 12-HPETE formation using arachidonic acid by by Michaelis-Menten equation analysis
50033730	1	ChEMBL_761393 (CHEMBL1817023)	Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	15	ChEMBL_761394 (CHEMBL1817024)	Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033732	17	ChEMBL_762495 (CHEMBL1816865)	Inhibition of recombinant Aurora-b assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	18	ChEMBL_762493 (CHEMBL1816863)	Inhibition of recombinant ALK assessed as 33Pi incorporation after 60 mins by scintillation counting
50033737	4	ChEMBL_762644 (CHEMBL1817368)	Inhibition of human platelets COX1 assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 15 mins by EIA
50033744	3	ChEMBL_762826 (CHEMBL1816183)	Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 by fluorogenic assay
50010699	1	ChEBML_160797	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C delta C1a domain
50010700	4	ChEBML_212728	Binding affinity against human trypsin
50010700	1	ChEBML_69661	Binding affinity against human Coagulation factor Xa
50010700	3	ChEBML_208308	Affinity for human thrombin
50010700	5	ChEMBL_212728 (CHEMBL818185)	Binding affinity against human trypsin
50010700	2	ChEMBL_69661 (CHEMBL681853)	Binding affinity against human Coagulation factor Xa
50033768	4	ChEMBL_763632 (CHEMBL1820158)	Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence analysis
50033769	6	ChEMBL_763683 (CHEMBL1820308)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50010703	8	ChEBML_158465	Antagonistic activity at Prostanoid IP receptor in human was determined
50010703	7	ChEBML_209600	Antagonistic activity at Thromboxane A2 receptor in human was determined
50010703	4	ChEBML_158302	Antagonistic activity at Prostanoid EP2 receptor in human was determined
50010703	5	ChEBML_158319	Antagonistic activity at Prostanoid EP3 receptor in human was determined
50010703	6	ChEBML_158169	Antagonistic activity at Prostanoid DP receptor in human was determined
50010703	3	ChEBML_158456	Antagonistic activity at Prostanoid FP receptor in human was determined
50010703	2	ChEBML_158333	Antagonistic activity at Prostanoid EP4 receptor in human was determined
50010703	1	ChEBML_158176	Antagonistic activity at Prostanoid EP1 receptor in human was determined
50010704	3	ChEBML_216192	Agonistic activity as cAMP accumulation in CHO cells expressing human beta-3-andrenergic receptor
50010704	1	ChEBML_216167	Agonistic activity as cAMP accumulation in CHO cells expressing human beta-1-adrenergic receptor
50033769	3	ChEMBL_763681 (CHEMBL1820306)	Agonist activity at human kappa opioid receptor by GTPgamma S binding assay
50033771	5	ChEMBL_763961 (CHEMBL1820362)	Inhibition of BACE1 expressed in baculovirus assessed as inhibition of amyloid beta-42 production after 60 mins by spectrofluorometric assay
50010705	1	ChEBML_68484	Inhibition of mammalian Farnesyltransferase
50033771	3	ChEMBL_763958 (CHEMBL1820359)	Mixed-type inhibition of human AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis
50033772	4	ChEMBL_763988 (CHEMBL1820071)	Inhibition of pig kidney microsomal APN assessed as hydrolysis of L-Leu-p-nitroanilide after 1 hr by spectrophotometry
50010711	2	ChEBML_2818	Binding affinity towards rat 5-hydroxytryptamine 2C receptor was determined using [125I]- DOI as radioligand
50010711	1	ChEBML_2612	Binding affinity towards rat 5-hydroxytryptamine 2A receptor was determined using [125I]- DOI as radioligand
50010711	3	ChEBML_897	Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT-as radioligand
50010713	1	ChEBML_141049	In vitro concentration of compound required to inhibit NHE-2 mediated intracellular maximal pH recovery by 50%
50010713	2	ChEBML_141047	In vitro concentration required to inhibit NHE-1 mediated intracellular maximal pH recovery by 50%
50010717	1	ChEMBL_209014 (CHEMBL815378)	Binding affinity for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand
50033776	1	ChEMBL_764081 (CHEMBL1820210)	Inhibition of human recombinant BACE1 by FRET assay
50033776	3	ChEMBL_764078 (CHEMBL1820207)	Inhibition of BACE1
50033793	20	ChEMBL_764498 (CHEMBL1821050)	Inhibition of FAPalpha
50033793	21	ChEMBL_764504 (CHEMBL1821056)	Inhibition of CYP2A6
50033793	22	ChEMBL_764508 (CHEMBL1821060)	Inhibition of CYP3A4
50033798	2	ChEMBL_764634 (CHEMBL1821186)	Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay
50033814	4	ChEMBL_765829 (CHEMBL1827654)	Inhibition of BACE1 in human HEK293 cells expressing APP with Swedish mutation assessed as amyloid beta 40 level by sandwich ELISA
50033814	3	ChEMBL_765828 (CHEMBL1827653)	Inhibition of human recombinant BACE1 after 60 mins by FRET assay
50010721	1	ChEBML_3960	In vitro inhibitory concentration against 5-lipoxygenase in RBL-1 cells
50010722	4	ChEBML_67061	Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity 
50010722	6	ChEMBL_221658 (CHEMBL823235)	Inhibition of p60 c-Src tyrosine kinase enzyme
50033814	5	ChEMBL_765826 (CHEMBL1827651)	Binding affinity to BACE1 after 90 seconds by surface plasmon resonance assay
50010723	9	ChEBML_221672	Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL
50010723	4	ChEBML_90526	Concentration required for inhibition of c-Src mediated phosphorylation of Fak in IC8.1 fibroblast cell assay
50010723	2	ChEBML_67205	Tested for inhibitory activity against Epidermal growth factor receptor
50010723	12	ChEMBL_67040 (CHEMBL677878)	Concentration required for inhibition of epidermal growth factor receptor (EGF-R) by tyrosine kinase enzyme activity
50010723	5	ChEMBL_90527 (CHEMBL700597)	Concentration required for inhibition of c-Src mediated phosphorylation of Fak in IC8.1 fibroblast cell assay
50033814	2	ChEMBL_765827 (CHEMBL1827652)	Inhibition of BACE1 using 19F-labeled EVNLDAEF(CF3) as substrate after 20 mins by NMR spectrometry
50010723	13	ChEMBL_221672 (CHEMBL822437)	Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL
50010723	11	ChEMBL_226171 (CHEMBL847900)	Inhibition of v-Abl receptor tyrosine kinase enzyme activity
50023493	1	ChEMBL_506890 (CHEMBL950671)	Inhibition of MSK1 assessed as [33P] incorporation by scintillation proximity assay
50023493	2	ChEMBL_506891 (CHEMBL950672)	Inhibition of MAPKAPK2 assessed as [33P] incorporation by scintillation proximity assay
50033817	6	ChEMBL_765941 (CHEMBL1827957)	Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs
50033825	3	ChEMBL_766437 (CHEMBL1826577)	Antagonist activity at P2X7R expressed in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL1-beta release
50033825	1	ChEMBL_766434 (CHEMBL1826574)	Antagonist activity at P2X7R expressed in LPS-activated human monocytes assessed as inhibition of ATP-induced IL1-beta release in presence of low serum concentration
50033825	4	ChEMBL_766436 (CHEMBL1826576)	Antagonist activity at P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced YO-PRO-1 uptake
50010726	1	ChEBML_211865	Concentration required to inhibit polymerization of tubulin
50010727	1	ChEBML_216938	In vitro inhibitory concentration against Xanthine oxidase
50010728	2	ChEBML_61600	Inhibition of binding of [3H]spiroperidol to Dopamine receptor D2 in rat striatal membranes
50010728	1	ChEBML_58336	Inhibition of binding of [3H]SCH-23390 to Dopamine receptor D1 in rat striatal membranes
50010730	1	ChEBML_139761	Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand
50033829	5	ChEMBL_766719 (CHEMBL1827497)	Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting
50033830	5	ChEMBL_767032 (CHEMBL1828463)	Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr
50033830	6	ChEMBL_767033 (CHEMBL1828464)	Agonist activity against mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding
50033830	3	ChEMBL_767030 (CHEMBL1828461)	Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr
50010734	1	ChEBML_84818	Competitive binding towards Heat shock protein HSP 90-alpha
50033832	11	ChEMBL_767137 (CHEMBL1826288)	Inhibition of H1 receptor by NIMH PDSP
50033832	12	ChEMBL_767223 (CHEMBL1826469)	Inhibition of alpha-2B adrenergic receptor by NIMH PDSP
50033839	5	ChEMBL_766653 (CHEMBL1827219)	Binding affinity to Aurora B kinase catalytic domain by competitive binding assay
50010735	1	ChEBML_213156	In vitro inhibitory activity against Urokinase-type plasminogen activator (microPa)
50033839	4	ChEMBL_766655 (CHEMBL1827221)	Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells
50010737	3	ChEMBL_199860 (CHEMBL804924)	Inhibitory concentration against Selectin E in a dynamic flow assay.
50010737	1	ChEBML_199860	Inhibitory concentration against Selectin E in a dynamic flow assay.
50033845	7	ChEMBL_767043 (CHEMBL1828474)	Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay
50033845	8	ChEMBL_767046 (CHEMBL1828477)	Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay
50010740	3	ChEBML_83643	Inhibition of [125I]iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells
50010740	1	ChEMBL_86751 (CHEMBL693561)	Binding affinity to rat Histamine H3 receptor in CHO-K1 cells using [125I]iodoproxyfan as radioligand
50010740	2	ChEBML_86751	Binding affinity to rat Histamine H3 receptor in CHO-K1 cells using [125I]iodoproxyfan as radioligand
50010740	4	ChEMBL_83642 (CHEMBL693104)	Binding affinity to human Histamine H3 receptor in CHO-K1 cells using [125I]iodoproxyfan as radioligand
50010742	5	ChEMBL_209071 (CHEMBL809537)	In vitro antagonist activity against Thrombin induced gel-filtered platelet (GFP) aggregation at 0.15 nM.
50010742	2	ChEMBL_151865 (CHEMBL759579)	Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)
50033849	23	ChEMBL_767240 (CHEMBL1825352)	Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay
50010742	3	ChEMBL_151866 (CHEMBL759580)	Binding affinity against Protease-activated receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)
50010742	1	ChEMBL_151864 (CHEMBL759578)	Binding Affinity of ligand against Protease-activated Receptor (PAR-1) using [3H]-s-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2, 10 nM (Kd= 15 nM)
50033849	20	ChEMBL_767257 (CHEMBL1825369)	Inhibition of TRKA
50033849	1	ChEMBL_767236 (CHEMBL1826482)	Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as inhibition of HGF-induced autophosphorylation by ELISA method
50010744	1	ChEMBL_39037 (CHEMBL653433)	Binding affinity towards beta chimerin
50010744	2	ChEMBL_152993 (CHEMBL759478)	Binding affinity for Protein kinase C delta
50010744	4	ChEMBL_152995 (CHEMBL873305)	Binding affinity for PKC-delta C1b
50033849	21	ChEMBL_767243 (CHEMBL1825355)	Inhibition of c-MET
50033849	11	ChEMBL_767352 (CHEMBL1825464)	Inhibition of IR in human HEK293 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	24	ChEMBL_767249 (CHEMBL1825361)	Inhibition of AXL in human HEK293 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	25	ChEMBL_767354 (CHEMBL1825466)	Inhibition of IR
50033849	26	ChEMBL_767244 (CHEMBL1825356)	Inhibition of ALK in human KARPAS299 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	19	ChEMBL_767246 (CHEMBL1825358)	Inhibition of ALK
50033849	27	ChEMBL_767355 (CHEMBL1825467)	Inhibition of LCK in human Jurkat cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033857	18	ChEMBL_766970 (CHEMBL1828297)	Inhibition of ALK activity by TR-FRET assay
50033857	2	ChEMBL_766956 (CHEMBL1828181)	Inhibition of PKCb2 activity by fluorescence polarization assay
50033857	19	ChEMBL_766967 (CHEMBL1828294)	Inhibition of INSR activity by TR-FRET assay
50033857	20	ChEMBL_766958 (CHEMBL1828183)	Inhibition of PKCA activity by fluorescence polarization assay
50033857	21	ChEMBL_766957 (CHEMBL1828182)	Inhibition of PKCb1 activity by fluorescence polarization assay
50033864	2	ChEMBL_767493 (CHEMBL1825605)	Inhibition of BACE1 by FRET assay
50010747	5	ChEMBL_106481 (CHEMBL719150)	Inhibitory activity against human matrix metalloprotease-13 in quenched fluorescence assay at pH 7.4
50010747	2	ChEMBL_104717 (CHEMBL710127)	Inhibitory activity against human matrix metalloprotease-3 (MMP-3) (at pH 7.4)
50010747	6	ChEMBL_105973 (CHEMBL715385)	Inhibitory activity against human matrix metalloprotease-1 in quenched fluorescence assay at pH 7.4
50010747	3	ChEMBL_104376 (CHEMBL715837)	Inhibitory activity against matrix metalloprotease-2 (MMP-2) in quenched fluorescence assay at pH 7.4
50010747	4	ChEMBL_105945 (CHEMBL714695)	Inhibition of human matrix metalloprotease-1 at pH 7.4
50010747	1	ChEMBL_106463 (CHEMBL719135)	Inhibition of human matrix metalloprotease-13 at pH 7.4
50033864	5	ChEMBL_767496 (CHEMBL1825608)	Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay
50010752	4	ChEMBL_103134 (CHEMBL712304)	In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay
50010752	2	ChEMBL_103132 (CHEMBL712302)	In vitro inhibition of human Microsomal Triglyceride Transfer Protein, (triglyceride transfer assay)
50010752	3	ChEMBL_103135 (CHEMBL712305)	In vitro inhibition of human microsomal triglyceride transfer protein using triglyceride transfer assay
50010752	1	ChEMBL_103133 (CHEMBL712303)	In vitro inhibition of human microsomal triglyceride transfer protein in HepG2 cells using apoB secretion assay
50010752	5	ChEMBL_103131 (CHEMBL873364)	In vitro inhibition of human Microsomal Triglyceride Transfer Protein (triglyceride transfer assay)
50033864	6	ChEMBL_767494 (CHEMBL1825606)	Inhibition of BACE2 by FRET assay
50033869	4	ChEMBL_766293 (CHEMBL1826225)	Inhibition of porcine kidney APN using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis
50033873	10	ChEMBL_767867 (CHEMBL1825979)	Inhibition of NPM/ALK phosphorylation in human KARPAS299 cells by ELISA
50010758	7	ChEMBL_71578 (CHEMBL684238)	In vitro inhibition of binding to GnRH receptor in human
50010758	6	ChEMBL_71441 (CHEMBL685313)	Functional antagonism at the rhesus monkey gonadotropin-releasing hormone receptor
50010758	1	ChEMBL_71446 (CHEMBL685318)	Functional antagonism at gonadotropin-releasing hormone receptor in dog (PI turnover)
50010758	5	ChEMBL_71442 (CHEMBL685314)	In vitro inhibition of gonadotropin-releasing hormone receptor in rhesus monkey
50010758	3	ChEMBL_71733 (CHEMBL680412)	Functional antagonism at GnRH receptor in rat (PI turnover)
50010758	4	ChEMBL_71735 (CHEMBL680258)	In vitro inhibition of binding to GnRH receptor in rat
50010758	8	ChEMBL_71574 (CHEMBL684235)	Functional antagonism at the human GnRH receptor (PI turnover)
50010758	2	ChEMBL_71447 (CHEMBL685319)	In vitro inhibition of binding to gonadotropin-releasing hormone receptor in dog
50033873	11	ChEMBL_767866 (CHEMBL1825978)	Inhibition of IR
50033873	12	ChEMBL_767865 (CHEMBL1825977)	Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method
50033877	10	ChEMBL_768009 (CHEMBL1825338)	Antagonist activity at human TRPv1 receptor expressed in HEK293 cells assessed as inhibition of 0.1 um capsaicin-induced stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	3	ChEMBL_768008 (CHEMBL1825337)	Agonist activity at human TRPv1 receptor expressed in HEK293 cells assessed as stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	11	ChEMBL_768006 (CHEMBL1825335)	Displacement of [3H]-CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cells membrane incubated for 90 mins
50033877	12	ChEMBL_768005 (CHEMBL1825334)	Displacement of [3H]-CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cells membrane incubated for 90 mins
50033877	7	ChEMBL_768014 (CHEMBL1825343)	Agonist activity at rat recombinant TRPA1 receptor expressed in HEK293 cells assessed as stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	13	ChEMBL_768015 (CHEMBL1825344)	Antagonist activity at rat recombinant TRPA1 receptor expressed in HEK293 cells assessed as inhibition of 100 uM allyl isothiocyanate-induced stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	5	ChEMBL_768011 (CHEMBL1825340)	Agonist activity at rat recombinant TRPV2 receptor expressed in HEK293 cells assessed as stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033879	5	ChEMBL_768510 (CHEMBL1832333)	Inhibition of G9a in human 22Rv1 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	1	ChEMBL_768494 (CHEMBL1832317)	Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033879	2	ChEMBL_768501 (CHEMBL1832324)	Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	7	ChEMBL_768516 (CHEMBL1832438)	Inhibition of G9a in p53-deficient human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	13	ChEMBL_768493 (CHEMBL1832316)	Inhibition of GLP assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033879	3	ChEMBL_768504 (CHEMBL1832327)	Inhibition of G9a in human MCF7 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	14	ChEMBL_768519 (CHEMBL1832441)	Inhibition of G9a in human IMR90 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	6	ChEMBL_768513 (CHEMBL1832435)	Inhibition of G9a in human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033879	4	ChEMBL_768507 (CHEMBL1832330)	Inhibition of G9a in human PC3 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay
50033880	2	ChEMBL_768581 (CHEMBL1832600)	Inhibition of 17beta-HSD1 in human T47D cells expressing estrogen receptor assessed as conversion of [14C]-E1 to [14C]-E2 after 24 hrs
50033886	19	ChEMBL_769061 (CHEMBL1832524)	Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay
50033886	20	ChEMBL_769162 (CHEMBL1832821)	Inhibition of CYP3A4 in human liver microsomes by fluorescence assay
50033886	11	ChEMBL_769156 (CHEMBL1832815)	Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay
50033886	21	ChEMBL_769052 (CHEMBL1832515)	Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay
50033886	12	ChEMBL_769157 (CHEMBL1832816)	Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay
50033886	10	ChEMBL_769057 (CHEMBL1832520)	Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay
50033886	22	ChEMBL_769161 (CHEMBL1832820)	Inhibition of CYP2D6 in human liver microsomes by fluorescence assay
50033889	13	ChEMBL_768783 (CHEMBL1831765)	Positive allosteric modulation of mGlu2 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	3	ChEMBL_768785 (CHEMBL1831767)	Positive allosteric modulation of mGlu5 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	14	ChEMBL_768782 (CHEMBL1831764)	Positive allosteric modulation of mGlu1 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	2	ChEMBL_768784 (CHEMBL1831766)	Positive allosteric modulation of mGlu3 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	15	ChEMBL_768790 (CHEMBL1831772)	Negative allosteric modulation of mGlu5 receptor
50033889	6	ChEMBL_768788 (CHEMBL1831770)	Negative allosteric modulation of mGlu2 receptor
50033889	16	ChEMBL_768789 (CHEMBL1831771)	Negative allosteric modulation of mGlu3 receptor
50033889	17	ChEMBL_768791 (CHEMBL1831773)	Negative allosteric modulation of mGlu7 receptor
50033889	4	ChEMBL_768786 (CHEMBL1831768)	Positive allosteric modulation of mGlu7 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	5	ChEMBL_768787 (CHEMBL1831769)	Negative allosteric modulation of mGlu1 receptor
50033893	15	ChEMBL_768814 (CHEMBL1831796)	Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity assay
50010765	3	ChEMBL_89064 (CHEMBL697203)	In vitro potency against TNF alpha induced expression of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay
50010765	1	ChEMBL_213817 (CHEMBL815900)	In vitro potency against TNF alpha induced expression of VCAM-1 on human vascular endothelial cells using CAM ELISA assay
50010765	2	ChEMBL_199704 (CHEMBL803587)	In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay
50010766	2	ChEMBL_2560 (CHEMBL617107)	Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor
50010766	1	ChEMBL_2621 (CHEMBL621533)	Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]DOB as radioligand
50010766	3	ChEMBL_2822 (CHEMBL621508)	Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]DOI as radioligand
50010769	1	ChEMBL_62883 (CHEMBL673593)	Displacement of [3H]raclopride from human dopamine receptor D2A expressed in mouse Ltk cells
50010769	2	ChEMBL_3755 (CHEMBL620755)	Displacement of [3H]5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells
50010769	3	ChEMBL_1209 (CHEMBL615975)	Displacement of [3H]8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells
50010770	3	ChEMBL_105806 (CHEMBL718140)	compound was tested for inhibitory activity against Matriptase
50010770	1	ChEMBL_208675 (CHEMBL813334)	compound was tested for inhibitory activity against Thrombin
50010770	2	ChEMBL_226008 (CHEMBL842149)	compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)
50010773	6	ChEMBL_73017 (CHEMBL681696)	Compound was evaluated for its ability to displace radiolabeled glucagon
50010773	1	ChEMBL_70919 (CHEMBL684419)	IC50 value was expressed as inhibition of [125]glucagon specific binding.
50010773	5	ChEMBL_70922 (CHEMBL683740)	inhibition of [125]glucagon specific binding.
50033893	10	ChEMBL_768815 (CHEMBL1831797)	Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC
50010773	7	ChEMBL_73018 (CHEMBL681697)	Compound was evaluated for its ability to displace radiolabeled glucagon (inactive up to 100 uM)
50010773	2	ChEMBL_70920 (CHEMBL683738)	IC50 value was expressed for inhibition of [125]glucagon specific binding.
50010774	1	ChEMBL_216562 (CHEMBL822277)	Inhibitory activity against Human cathepsin B
50010774	8	ChEMBL_216711 (CHEMBL818676)	Inhibitory activity against Human cathepsin L
50010774	3	ChEMBL_216705 (CHEMBL820317)	Inhibition of Human cathepsin K
50010774	6	ChEMBL_216712 (CHEMBL818677)	Inhibitory activity against Human cathepsin S
50010774	2	ChEMBL_216706 (CHEMBL820318)	Inhibitory activity against Rat cathepsin K
50010774	7	ChEMBL_216702 (CHEMBL820314)	In vitro IC50 value was measured using in situ cytochem assay.
50010777	5	ChEMBL_200540 (CHEMBL805044)	Binding affinity was determined on cloned human somatostatin receptor-1 (hsst1)
50010777	1	ChEMBL_200678 (CHEMBL807090)	Binding affinity was determined on cloned human somatostatin receptor-1 (hsst2)
50010777	2	ChEMBL_200698 (CHEMBL883389)	Binding affinity was determined on cloned human somatostatin receptor-1 (hsst3)
50010777	4	ChEMBL_200858 (CHEMBL807067)	Binding affinity was determined on cloned human somatostatin receptor-1 (hsst5)
50010777	3	ChEMBL_200840 (CHEMBL807050)	Binding affinity was determined on cloned human somatostatin receptor-1 (hsst4)
50033893	16	ChEMBL_768820 (CHEMBL1831802)	Inhibition of 17beta-HSD1
50033907	1	ChEMBL_770284 (CHEMBL1833593)	Inhibition of 5-Lipoxygenase in arachidonic acid-stimulated human neutrophils after 15 mins by HPLC analysis in presence of A23187
50033907	7	ChEMBL_770333 (CHEMBL1833642)	Inhibition of COX1-mediated 12-HHT production in human platelet after 5 mins by HPLC analysis
50033907	8	ChEMBL_770288 (CHEMBL1833597)	Inhibition of recombinant human 5-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis
50033922	15	ChEMBL_769752 (CHEMBL1831558)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as pRB fragment (773 to 928) phosphorylation using [33P]gamma-ATP after 30 mins by scintillation counting
50033922	17	ChEMBL_769743 (CHEMBL1831549)	Inhibition of CDK1
50033922	18	ChEMBL_769762 (CHEMBL1831568)	Displacement of [3H]SCH233930 from dopamine D5 receptor after 1.5 hrs by scintillation counting
50033922	16	ChEMBL_769751 (CHEMBL1831557)	Inhibition of human recombinant CDK2/cyclin A expressed in insect cells assessed as histone phosphorylation using [33P]gamma-ATP after 30 mins by scintillation counting
50033922	19	ChEMBL_769761 (CHEMBL1831567)	Displacement of [3H]QNB from muscarinic acetylcholine M5 receptor after 1.5 hrs by scintillation counting
50033923	4	ChEMBL_769836 (CHEMBL1831830)	Inhibition of pig kidney microsome aminopeptidase N using L-Leu-p-nitroanilide substrate
50033950	5	ChEMBL_771347 (CHEMBL1839619)	Inhibition of AurB
50033950	6	ChEMBL_771346 (CHEMBL1839618)	Inhibition of phosphorylation of SAM68 in 293 WT-PTK6 cells after 3 hrs
50033957	5	ChEMBL_771730 (CHEMBL1838348)	Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP production
50033958	2	ChEMBL_771899 (CHEMBL1839053)	Displacement of [3H]Cl-DPDPE from human DOP receptor expressed in CHO cells after 60 mins by scintillation counting
50033958	9	ChEMBL_771030 (CHEMBL1838552)	Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation counting
50033958	5	ChEMBL_771032 (CHEMBL1838554)	Partial agonist activity at human MOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033958	10	ChEMBL_771033 (CHEMBL1838555)	Partial agonist activity at human DOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033958	3	ChEMBL_771900 (CHEMBL1839054)	Displacement of [3H]U69593 from human KOP receptor expressed in CHO cells after 60 mins by scintillation counting
50033958	11	ChEMBL_771898 (CHEMBL1838909)	Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting
50033958	8	ChEMBL_771035 (CHEMBL1838557)	Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033958	12	ChEMBL_771034 (CHEMBL1838556)	Partial agonist activity at human KOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033960	10	ChEMBL_771289 (CHEMBL1839477)	Inhibition of human recombinant MMP9 catalytic domain assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	11	ChEMBL_771362 (CHEMBL1839743)	Inhibition of human recombinant MMP14 catalytic domain assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	7	ChEMBL_771364 (CHEMBL1839745)	Inhibition of human recombinant MMP9 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	8	ChEMBL_771363 (CHEMBL1839744)	Inhibition of human recombinant MMP14 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033962	7	ChEMBL_771176 (CHEMBL1837093)	Agonist activity at delta-type opioid receptor
50033962	8	ChEMBL_771174 (CHEMBL1837091)	Agonist activity at rat brain mu-opioid receptor assessed as [35S]GTPgammaS binding by liquid scintillation counting
50033962	1	ChEMBL_771171 (CHEMBL1837088)	Displacement of [3H]DAMGO from rat brain Mu-type opioid receptor by liquid scintillation counting
50033993	2	ChEMBL_772791 (CHEMBL1837530)	Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis
50033993	5	ChEMBL_772790 (CHEMBL1837529)	Inhibition of human kallikrein 5 using Abz-KLRSSKQ-EDDnp as substrate by spectrofluorimetric assay
50033993	4	ChEMBL_772793 (CHEMBL1837532)	Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by Lineweaver-Burk plot analysis
50033993	6	ChEMBL_772792 (CHEMBL1837531)	Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay
50034012	108	ChEMBL_773502 (CHEMBL1839868)	Inhibition of recombinant CAMK2
50034012	83	ChEMBL_772095 (CHEMBL1837861)	Inhibition of KIT juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	109	ChEMBL_773489 (CHEMBL1839855)	Inhibition of recombinant MST1R
50034012	110	ChEMBL_772093 (CHEMBL1837859)	Inhibition of VEGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	78	ChEMBL_772152 (CHEMBL1838071)	Inhibition of FGFR3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	111	ChEMBL_773551 (CHEMBL1839917)	Inhibition of recombinant PKCalpha
50034012	87	ChEMBL_772090 (CHEMBL1837856)	Inhibition of VEGFR2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50010788	2	ChEMBL_71277 (CHEMBL685166)	Inhibition of 125 I-fibrinogen binding to glycoprotein IIb/IIIa receptor
50010788	1	ChEMBL_219151 (CHEMBL824151)	Inhibition of 125 I-fibrinogen binding to ADP-activated gel filtered human platelets
50010789	2	ChEMBL_144741 (CHEMBL752578)	Inhibitory activity was determined against Neuraminidase A from influenza virus A/Tokyo/3/67
50010789	1	ChEMBL_144748 (CHEMBL752730)	Inhibitory activity was determined against Neuraminidase A from influenza virus A/Tokyo/3/67
50010789	3	ChEMBL_144744 (CHEMBL752726)	Inhibitory activity was determined against Neuraminidase B/Memphis
50034012	18	ChEMBL_773598 (CHEMBL1839964)	Inhibition of INSR-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50010790	2	ChEMBL_96787 (CHEMBL703097)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1
50010790	4	ChEMBL_96777 (CHEMBL705403)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1
50010790	11	ChEMBL_96782 (CHEMBL705408)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (30-60)
50010790	1	ChEMBL_96778 (CHEMBL705404)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (100-110)
50010790	6	ChEMBL_96781 (CHEMBL705407)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (20-30)
50010790	9	ChEMBL_96784 (CHEMBL705410)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (370-470)
50010790	7	ChEMBL_96780 (CHEMBL705406)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (120-140)
50010790	10	ChEMBL_96783 (CHEMBL705409)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (320-350)
50010790	8	ChEMBL_96785 (CHEMBL705411)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (728-860)
50010790	5	ChEMBL_96779 (CHEMBL705405)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (110-140)
50010790	3	ChEMBL_96786 (CHEMBL703096)	Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (90-100)
50010791	1	ChEMBL_65496 (CHEMBL682969)	Inhibitory concentration was determined against selective Endothelin A receptor
50010794	1	ChEMBL_214960 (CHEMBL821189)	Blockade of peak steady-state K+ currents of voltage-gated potassium channel subunit Kv1.3 in mouse fibroblasts L929 at 50 uM
50010794	2	ChEMBL_214961 (CHEMBL821190)	Inhibition of voltage-gated potassium channel subunit Kv1.3 expressed in L929 cells
50034012	79	ChEMBL_772151 (CHEMBL1838070)	Inhibition of wild type FGFR4 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assay
50034012	17	ChEMBL_773597 (CHEMBL1839963)	Inhibition of ALK juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	86	ChEMBL_772091 (CHEMBL1837857)	Inhibition of VEGFR2 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	112	ChEMBL_773571 (CHEMBL1839937)	Inhibition of SRC-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	113	ChEMBL_773494 (CHEMBL1839860)	Inhibition of recombinant PDGFRalpha
50034012	20	ChEMBL_773601 (CHEMBL1839967)	Inhibition of RON-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	3	ChEMBL_773556 (CHEMBL1839922)	Inhibition of recombinant RET
50034012	114	ChEMBL_773540 (CHEMBL1839906)	Inhibition of recombinant INSR
50034012	115	ChEMBL_772033 (CHEMBL1837642)	Inhibition of CYP3A4 using DBF as substrate
50034012	116	ChEMBL_773496 (CHEMBL1839862)	Inhibition of recombinant CDK1
50034012	88	ChEMBL_772089 (CHEMBL1837855)	Inhibition of FGFR2 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	117	ChEMBL_773557 (CHEMBL1839923)	Inhibition of recombinant ROCK2
50034012	118	ChEMBL_773606 (CHEMBL1839972)	Inhibition of SYK-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	119	ChEMBL_773543 (CHEMBL1839909)	Inhibition of recombinant JAK2
50034012	77	ChEMBL_772153 (CHEMBL1838072)	Inhibition of FGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	120	ChEMBL_773484 (CHEMBL1839850)	Inhibition of recombinant MET
50034012	121	ChEMBL_772080 (CHEMBL1837846)	Inhibition of recombinant FGFR2
50034012	82	ChEMBL_772096 (CHEMBL1837862)	Inhibition of LYN-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	76	ChEMBL_772155 (CHEMBL1838074)	Inhibition of FGFR1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	122	ChEMBL_772079 (CHEMBL1837845)	Inhibition of recombinant FGFR1
50034012	123	ChEMBL_773604 (CHEMBL1839970)	Inhibition of TYK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034019	262	ChEMBL_774523 (CHEMBL1908740)	Binding constant for PIK3CA(I800L) kinase domain
50034019	304	ChEMBL_774416 (CHEMBL1908633)	Binding constant for FLT3(D835Y) kinase domain
50034019	303	ChEMBL_774415 (CHEMBL1908632)	Binding constant for FLT3(D835H) kinase domain
50034019	443	ChEMBL_774325 (CHEMBL1908542)	Binding constant for CDK7 kinase domain
50034019	425	ChEMBL_774468 (CHEMBL1908685)	Binding constant for ABL1(T315I)-non phosphorylated kinase domain
50034019	171	ChEMBL_774601 (CHEMBL1908818)	Binding constant for RET kinase domain
50034019	444	ChEMBL_774228 (CHEMBL1908445)	Binding constant for EPHA6 kinase domain
50034019	445	ChEMBL_774449 (CHEMBL1908666)	Binding constant for ROCK2 kinase domain
50034019	415	ChEMBL_774458 (CHEMBL1908675)	Binding constant for ABL1(E255K)-phosphorylated kinase domain
50034019	446	ChEMBL_774334 (CHEMBL1908551)	Binding constant for FLT4 kinase domain
50034019	447	ChEMBL_774434 (CHEMBL1908651)	Binding constant for EPHB1 kinase domain
50034019	448	ChEMBL_774290 (CHEMBL1908507)	Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain
50034019	449	ChEMBL_774206 (CHEMBL1908423)	Binding constant for HIPK1 kinase domain
50034019	450	ChEMBL_774264 (CHEMBL1908481)	Binding constant for INSR kinase domain
50034019	422	ChEMBL_774465 (CHEMBL1908682)	Binding constant for ABL1(M351T)-phosphorylated kinase domain
50034019	214	ChEMBL_774267 (CHEMBL1908484)	Binding constant for KIT(A829P) kinase domain
50034019	451	ChEMBL_774184 (CHEMBL1908401)	Binding constant for NEK9 kinase domain
50034019	452	ChEMBL_774209 (CHEMBL1908426)	Binding constant for FAK kinase domain
50034019	305	ChEMBL_774417 (CHEMBL1908634)	Binding constant for FLT3(ITD) kinase domain
50034019	272	ChEMBL_774483 (CHEMBL1908700)	Binding constant for EGFR(L858R) kinase domain
50034019	424	ChEMBL_774467 (CHEMBL1908684)	Binding constant for ABL1(Q252H)-phosphorylated kinase domain
50034019	257	ChEMBL_774518 (CHEMBL1908735)	Binding constant for PIK3CA(E542K) kinase domain
50034019	217	ChEMBL_774270 (CHEMBL1908487)	Binding constant for KIT(L576P) kinase domain
50034019	453	ChEMBL_774293 (CHEMBL1908510)	Binding constant for MINK kinase domain
50034019	261	ChEMBL_774522 (CHEMBL1908739)	Binding constant for PIK3CA(H1047Y) kinase domain
50034019	454	ChEMBL_774532 (CHEMBL1908749)	Binding constant for PRKG1 kinase domain
50034019	371	ChEMBL_774216 (CHEMBL1908433)	Binding constant for RPS6KA5(Kin.Dom.1-N-terminal) kinase domain
50034019	137	ChEMBL_774392 (CHEMBL1908609)	Binding constant for TYK2(JH1domain-catalytic) kinase domain
50034019	455	ChEMBL_774418 (CHEMBL1908635)	Binding constant for FLT3(K663Q) kinase domain
50034019	456	ChEMBL_774604 (CHEMBL1908821)	Binding constant for RET(V804M) kinase domain
50034019	293	ChEMBL_774525 (CHEMBL1908742)	Binding constant for PIK3CA(Q546K) kinase domain
50034019	218	ChEMBL_774271 (CHEMBL1908488)	Binding constant for KIT(V559D) kinase domain
50034019	457	ChEMBL_774488 (CHEMBL1908705)	Binding constant for EPHA1 kinase domain
50034019	258	ChEMBL_774519 (CHEMBL1908736)	Binding constant for PIK3CA(E545A) kinase domain
50034019	458	ChEMBL_774263 (CHEMBL1908480)	Binding constant for FGFR3(G697C) kinase domain
50034019	213	ChEMBL_774266 (CHEMBL1908483)	Binding constant for KIT kinase domain
50034019	418	ChEMBL_774461 (CHEMBL1908678)	Binding constant for ABL1(F317L)-non phosphorylated kinase domain
50034019	459	ChEMBL_774460 (CHEMBL1908677)	Binding constant for ABL1(F317I)-phosphorylated kinase domain
50034019	420	ChEMBL_774463 (CHEMBL1908680)	Binding constant for ABL1(H396P)-non phosphorylated kinase domain
50034019	460	ChEMBL_774623 (CHEMBL1908840)	Binding constant for CAMKK1 kinase domain
50034019	307	ChEMBL_774419 (CHEMBL1908636)	Binding constant for FLT3(N841I) kinase domain
50034019	461	ChEMBL_774553 (CHEMBL1908770)	Binding constant for SGK3 kinase domain
50034019	275	ChEMBL_774486 (CHEMBL1908703)	Binding constant for EGFR(S752-I759del) kinase domain
50034019	423	ChEMBL_774466 (CHEMBL1908683)	Binding constant for ABL1(Q252H)-non phosphorylated kinase domain
50034019	462	ChEMBL_774562 (CHEMBL1908779)	Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain
50034019	463	ChEMBL_774343 (CHEMBL1908560)	Binding constant for MARK3 kinase domain
50034019	464	ChEMBL_774311 (CHEMBL1908528)	Binding constant for CHEK1 kinase domain
50034019	465	ChEMBL_774531 (CHEMBL1908748)	Binding constant for PRKCQ kinase domain
50034019	207	ChEMBL_774260 (CHEMBL1908477)	Binding constant for CDK4-cyclinD1 kinase domain
50034019	83	ChEMBL_774338 (CHEMBL1908555)	Binding constant for JAK1(JH2domain-pseudokinase) kinase domain
50034019	466	ChEMBL_774427 (CHEMBL1908644)	Binding constant for BRAF(V600E) kinase domain
50034019	467	ChEMBL_774456 (CHEMBL1908673)	Binding constant for PRKX kinase domain
50034019	468	ChEMBL_774412 (CHEMBL1908629)	Binding constant for CLK2 kinase domain
50034019	469	ChEMBL_774587 (CHEMBL1908804)	Binding constant for DMPK2 kinase domain
50034019	470	ChEMBL_774182 (CHEMBL1908399)	Binding constant for BRSK1 kinase domain
50034019	471	ChEMBL_774297 (CHEMBL1908514)	Binding constant for MYO3B kinase domain
50034019	472	ChEMBL_774238 (CHEMBL1908455)	Binding constant for RIPK5 kinase domain
50034019	426	ChEMBL_774469 (CHEMBL1908686)	Binding constant for ABL1(T315I)-phosphorylated kinase domain
50034019	473	ChEMBL_774390 (CHEMBL1908607)	Binding constant for TTK kinase domain
50034019	474	ChEMBL_774307 (CHEMBL1908524)	Binding constant for CAMK2B kinase domain
50034019	267	ChEMBL_774478 (CHEMBL1908695)	Binding constant for EGFR(G719C) kinase domain
50034019	475	ChEMBL_774370 (CHEMBL1908587)	Binding constant for p38-beta kinase domain
50034019	263	ChEMBL_774524 (CHEMBL1908741)	Binding constant for PIK3CA(M1043I) kinase domain
50034019	476	ChEMBL_774312 (CHEMBL1908529)	Binding constant for IKK-alpha kinase domain
50034019	477	ChEMBL_774341 (CHEMBL1908558)	Binding constant for LIMK1 kinase domain
50034019	478	ChEMBL_774613 (CHEMBL1908830)	Binding constant for CDC2L2 kinase domain
50034019	479	ChEMBL_774577 (CHEMBL1908794)	Binding constant for TNNI3K kinase domain
50034019	255	ChEMBL_774516 (CHEMBL1908733)	Binding constant for PIK3CA kinase domain
50034019	480	ChEMBL_774360 (CHEMBL1908577)	Binding constant for PIK4CB kinase domain
50034019	222	ChEMBL_774275 (CHEMBL1908492)	Binding constant for MET(M1250T) kinase domain
50034019	481	ChEMBL_774276 (CHEMBL1908493)	Binding constant for MET(Y1235D) kinase domain
50034019	482	ChEMBL_774517 (CHEMBL1908734)	Binding constant for PIK3CA(C420R) kinase domain
50034019	483	ChEMBL_774621 (CHEMBL1908838)	Binding constant for RIOK1 kinase domain
50034019	274	ChEMBL_774485 (CHEMBL1908702)	Binding constant for EGFR(L861Q) kinase domain
50034019	484	ChEMBL_774507 (CHEMBL1908724)	Binding constant for MAP3K4 kinase domain
50034019	416	ChEMBL_774459 (CHEMBL1908676)	Binding constant for ABL1(F317I)-nonphosphorylated kinase domain
50034019	219	ChEMBL_774272 (CHEMBL1908489)	Binding constant for KIT(V559D,T670I) kinase domain
50034019	421	ChEMBL_774464 (CHEMBL1908681)	Binding constant for ABL1(H396P)-phosphorylated kinase domain
50034019	268	ChEMBL_774479 (CHEMBL1908696)	Binding constant for EGFR(G719S) kinase domain
50034019	376	ChEMBL_774220 (CHEMBL1908437)	Binding constant for LRRK2 kinase domain
50034019	485	ChEMBL_774444 (CHEMBL1908661)	Binding constant for DYRK1B kinase domain
50034019	486	ChEMBL_774369 (CHEMBL1908586)	Binding constant for JNK1 kinase domain
50034019	487	ChEMBL_774616 (CHEMBL1908833)	Binding constant for YSK4 kinase domain
50034019	488	ChEMBL_774571 (CHEMBL1908788)	Binding constant for MAST1 kinase domain
50034019	302	ChEMBL_774414 (CHEMBL1908631)	Binding constant for FLT3 kinase domain
50034019	260	ChEMBL_774521 (CHEMBL1908738)	Binding constant for PIK3CA(H1047L) kinase domain
50034019	215	ChEMBL_774268 (CHEMBL1908485)	Binding constant for KIT(D816H) kinase domain
50034019	419	ChEMBL_774462 (CHEMBL1908679)	Binding constant for ABL1(F317L)-phosphorylated kinase domain
50034019	489	ChEMBL_774252 (CHEMBL1908469)	Binding constant for AURKB kinase domain
50034019	490	ChEMBL_774591 (CHEMBL1908808)	Binding constant for RIOK2 kinase domain
50034019	491	ChEMBL_774382 (CHEMBL1908599)	Binding constant for MEK4 kinase domain
50034019	492	ChEMBL_774582 (CHEMBL1908799)	Binding constant for PRKD2 kinase domain
50034019	493	ChEMBL_774236 (CHEMBL1908453)	Binding constant for MAP4K4 kinase domain
50034019	265	ChEMBL_774476 (CHEMBL1908693)	Binding constant for EGFR kinase domain
50034019	259	ChEMBL_774520 (CHEMBL1908737)	Binding constant for PIK3CA(E545K) kinase domain
50034019	494	ChEMBL_774380 (CHEMBL1908597)	Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain
50034019	495	ChEMBL_774287 (CHEMBL1908504)	Binding constant for TNK2 kinase domain
50034019	496	ChEMBL_774439 (CHEMBL1908656)	Binding constant for MAP4K2 kinase domain
50034019	270	ChEMBL_774481 (CHEMBL1908698)	Binding constant for EGFR(L747-S752del, P753S) kinase domain
50034019	273	ChEMBL_774484 (CHEMBL1908701)	Binding constant for EGFR(L858R,T790M) kinase domain
50034019	497	ChEMBL_774597 (CHEMBL1908814)	Binding constant for PAK7 kinase domain
50034019	271	ChEMBL_774482 (CHEMBL1908699)	Binding constant for EGFR(L747-T751del,Sins) kinase domain
50034019	498	ChEMBL_774348 (CHEMBL1908565)	Binding constant for MST1R kinase domain
50034019	499	ChEMBL_774248 (CHEMBL1908465)	Binding constant for SRPK2 kinase domain
50034019	500	ChEMBL_774575 (CHEMBL1908792)	Binding constant for SIK2 kinase domain
50034019	501	ChEMBL_774189 (CHEMBL1908406)	Binding constant for MYLK kinase domain
50034019	502	ChEMBL_774347 (CHEMBL1908564)	Binding constant for MLK2 kinase domain
50034019	503	ChEMBL_774258 (CHEMBL1908475)	Binding constant for ACVRL1 kinase domain
50034019	504	ChEMBL_774195 (CHEMBL1908412)	Binding constant for ERK8 kinase domain
50034019	505	ChEMBL_774540 (CHEMBL1908757)	Binding constant for CAMKK2 kinase domain
50034019	506	ChEMBL_774422 (CHEMBL1908639)	Binding constant for DRAK2 kinase domain
50034019	507	ChEMBL_774447 (CHEMBL1908664)	Binding constant for RPS6KA5(Kin.Dom.2-C-terminal) kinase domain
50034019	508	ChEMBL_774233 (CHEMBL1908450)	Binding constant for PKNB(M.tuberculosis) kinase domain
50034019	509	ChEMBL_774303 (CHEMBL1908520)	Binding constant for MKNK1 kinase domain
50034019	510	ChEMBL_774285 (CHEMBL1908502)	Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain
50034019	511	ChEMBL_774214 (CHEMBL1908431)	Binding constant for YANK3 kinase domain
50034019	512	ChEMBL_774374 (CHEMBL1908591)	Binding constant for MEK3 kinase domain
50034019	513	ChEMBL_774277 (CHEMBL1908494)	Binding constant for PHKG2 kinase domain
50034019	155	ChEMBL_774407 (CHEMBL1908624)	Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain
50034019	514	ChEMBL_774526 (CHEMBL1908743)	Binding constant for PIK3CB kinase domain
50034019	515	ChEMBL_774299 (CHEMBL1908516)	Binding constant for ACVR1 kinase domain
50034019	516	ChEMBL_774255 (CHEMBL1908472)	Binding constant for STK16 kinase domain
50034019	517	ChEMBL_774352 (CHEMBL1908569)	Binding constant for PAK2 kinase domain
50034019	518	ChEMBL_774330 (CHEMBL1908547)	Binding constant for DDR1 kinase domain
50034019	519	ChEMBL_774504 (CHEMBL1908721)	Binding constant for PRKD3 kinase domain
50034019	520	ChEMBL_774437 (CHEMBL1908654)	Binding constant for EPHB6 kinase domain
50034019	521	ChEMBL_774429 (CHEMBL1908646)	Binding constant for CSNK1G3 kinase domain
50034019	427	ChEMBL_774470 (CHEMBL1908687)	Binding constant for ABL1(Y253F)-phosphorylated kinase domain
50034019	522	ChEMBL_774546 (CHEMBL1908763)	Binding constant for IRAK3 kinase domain
50034019	523	ChEMBL_774569 (CHEMBL1908786)	Binding constant for AAK1 kinase domain
50034019	524	ChEMBL_774618 (CHEMBL1908835)	Binding constant for STK33 kinase domain
50034019	428	ChEMBL_774471 (CHEMBL1908688)	Binding constant for ABL1-non phosphorylated kinase domain
50034019	525	ChEMBL_774548 (CHEMBL1908765)	Binding constant for NEK1 kinase domain
50034019	308	ChEMBL_774420 (CHEMBL1908637)	Binding constant for FLT3(R834Q) kinase domain
50034019	269	ChEMBL_774480 (CHEMBL1908697)	Binding constant for EGFR(L747-E749del, A750P) kinase domain
50034019	526	ChEMBL_774396 (CHEMBL1908613)	Binding constant for ULK1 kinase domain
50034019	527	ChEMBL_774448 (CHEMBL1908665)	Binding constant for DRAK1 kinase domain
50034019	528	ChEMBL_774400 (CHEMBL1908617)	Binding constant for MRCKA kinase domain
50034019	529	ChEMBL_774387 (CHEMBL1908604)	Binding constant for SYK kinase domain
50023522	1	ChEMBL_507772 (CHEMBL940604)	Inhibition of Cdc2
50034019	530	ChEMBL_774452 (CHEMBL1908669)	Binding constant for MTOR kinase domain
50034019	531	ChEMBL_774198 (CHEMBL1908415)	Binding constant for PFTAIRE2 kinase domain
50034019	532	ChEMBL_774336 (CHEMBL1908553)	Binding constant for GSK3B kinase domain
50034019	533	ChEMBL_774333 (CHEMBL1908550)	Binding constant for FLT1 kinase domain
50034019	534	ChEMBL_774211 (CHEMBL1908428)	Binding constant for CAMK2G kinase domain
50034019	535	ChEMBL_774291 (CHEMBL1908508)	Binding constant for PAK4 kinase domain
50034019	536	ChEMBL_774544 (CHEMBL1908761)	Binding constant for PIM2 kinase domain
50034019	177	ChEMBL_774607 (CHEMBL1908824)	Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain
50034019	537	ChEMBL_774221 (CHEMBL1908438)	Binding constant for LRRK2(G2019S) kinase domain
50034019	266	ChEMBL_774477 (CHEMBL1908694)	Binding constant for EGFR(E746-A750del) kinase domain
50034019	538	ChEMBL_774529 (CHEMBL1908746)	Binding constant for PRKCH kinase domain
50034019	539	ChEMBL_774404 (CHEMBL1908621)	Binding constant for RIPK1 kinase domain
50034019	15	ChEMBL_774426 (CHEMBL1908643)	Binding constant for BRAF kinase domain
50034019	216	ChEMBL_774269 (CHEMBL1908486)	Binding constant for KIT(D816V) kinase domain
50034019	540	ChEMBL_774584 (CHEMBL1908801)	Binding constant for MYO3A kinase domain
50034019	541	ChEMBL_774474 (CHEMBL1908691)	Binding constant for AKT1 kinase domain
50034019	542	ChEMBL_774430 (CHEMBL1908647)	Binding constant for DMPK kinase domain
50034019	543	ChEMBL_774355 (CHEMBL1908572)	Binding constant for PDGFRB kinase domain
50034019	544	ChEMBL_774512 (CHEMBL1908729)	Binding constant for TRKB kinase domain
50034019	545	ChEMBL_774487 (CHEMBL1908704)	Binding constant for EGFR(T790M) kinase domain
50034019	209	ChEMBL_774262 (CHEMBL1908479)	Binding constant for FGFR3 kinase domain
50010802	1	ChEBML_207784	In vitro inhibitory concentration of compound against thromboxane A2 synthase
50010802	2	ChEBML_207655	In vitro inhibitory concentration of compound against thromboxane A2 receptor
50010803	1	ChEBML_82506	Ability to inhibit conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by endothelial NOS (e NOS) from HUVEC cells
50010803	4	ChEBML_178772	Inhibition of conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum
50034019	546	ChEMBL_774210 (CHEMBL1908427)	Binding constant for CAMK2A kinase domain
50034019	547	ChEMBL_774339 (CHEMBL1908556)	Binding constant for JAK1(JH1domain-catalytic) kinase domain
50010804	1	ChEBML_51068	Ability to inhibit the conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by i-NOS from human DLD-1 cells
50010804	3	ChEBML_178784	Ability to inhibit the conversion of [3H]-L-Arg to [3H]L-citrulline catalyzed by n-NOS from rat cerebellum
50010804	2	ChEBML_82646	Ability to inhibit the conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by e-NOS from HUVEC cells
50010805	18	ChEMBL_216429 (CHEMBL821359)	Binding to [125I]- fibrinogen by washed platelet fibrinogen receptor
50010805	20	ChEMBL_216428 (CHEMBL821358)	Affinity for purified activated GPIIb/IIIa fibrinogen receptor in ELISA
50010805	14	ChEMBL_220109 (CHEMBL881458)	In vitro inhibition of ADP (2 uM) induced platelet aggregation of human platelet rich plasma
50010805	16	ChEMBL_216098 (CHEMBL817687)	In vitro inhibition of ADP (10 uM) and epinephrine (10 uM) induced platelet aggregation of dog platelet rich plasma
50010805	19	ChEMBL_81990 (CHEMBL691552)	Inhibition of immobilized HUVEC adhesion on fibronectin
50010805	12	ChEMBL_220548 (CHEMBL822041)	In vitro inhibition of ADP (3 uM)induced platelet aggregation of guinea pig platelet rich plasma
50010805	17	ChEMBL_221751 (CHEMBL821959)	In vitro inhibition of ADP (5 uM) induced platelet aggregation of mouse platelet rich plasma
50010805	13	ChEMBL_216432 (CHEMBL818859)	Affinity for purified activated GPIIb/IIIa fibrinogen receptor by ELISA
50034019	548	ChEMBL_774240 (CHEMBL1908457)	Binding constant for PFPK5(P.falciparum) kinase domain
50034019	549	ChEMBL_774247 (CHEMBL1908464)	Binding constant for MERTK kinase domain
50034019	550	ChEMBL_774317 (CHEMBL1908534)	Binding constant for IRAK1 kinase domain
50034019	551	ChEMBL_774491 (CHEMBL1908708)	Binding constant for FGR kinase domain
50034019	552	ChEMBL_774281 (CHEMBL1908498)	Binding constant for MAP3K15 kinase domain
50010811	1	ChEBML_44699	Inhibition of cytochrome P450 CYP3A4 in human liver microsomes
50034019	553	ChEMBL_774496 (CHEMBL1908713)	Binding constant for SRC kinase domain
50034019	554	ChEMBL_774273 (CHEMBL1908490)	Binding constant for KIT(V559D,V654A) kinase domain
50010812	1	ChEBML_37421	Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species
50010813	1	ChEBML_63811	Second-order rate constant for the inhibition of human leukocyte elastase
50010814	4	ChEBML_895	Ability to displace [3H]8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor
50010814	2	ChEBML_52581	Percent inhibition towards dopamine D2 receptor
50010814	3	ChEBML_52724	Percent inhibition towards dopamine D4 receptor
50010814	1	ChEBML_52597	Percent inhibition towards dopamine D3 receptor
50010815	2	ChEBML_224833	Inhibition of rat GnRH receptor binding
50010815	1	ChEBML_71581	Inhibition of human Gonadotropin-releasing hormone receptor binding
50010816	2	ChEBML_71738	Inhibition of rat gonadotropin-releasing hormone receptor
50010816	1	ChEBML_71582	Inhibitory activity evaluated against human Gonadotropin-releasing hormone receptor
50034019	555	ChEMBL_774515 (CHEMBL1908732)	Binding constant for PHKG1 kinase domain
50010821	4	ChEBML_219115	Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C gamma
50010821	3	ChEBML_217858	Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C delta
50034019	556	ChEMBL_774451 (CHEMBL1908668)	Binding constant for DAPK1 kinase domain
50010821	1	ChEBML_218248	Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C beta
50010821	2	ChEBML_216270	Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C epsilon
50034019	557	ChEMBL_774377 (CHEMBL1908594)	Binding constant for RAF1 kinase domain
50034019	558	ChEMBL_774393 (CHEMBL1908610)	Binding constant for TYK2(JH2domain-pseudokinase) kinase domain
50034019	559	ChEMBL_774500 (CHEMBL1908717)	Binding constant for ITK kinase domain
50034019	560	ChEMBL_774588 (CHEMBL1908805)	Binding constant for MKNK2 kinase domain
50034019	561	ChEMBL_774565 (CHEMBL1908782)	Binding constant for ULK2 kinase domain
50034019	562	ChEMBL_774566 (CHEMBL1908783)	Binding constant for SLK kinase domain
50034019	563	ChEMBL_774329 (CHEMBL1908546)	Binding constant for CSNK2A2 kinase domain
50034019	564	ChEMBL_774543 (CHEMBL1908760)	Binding constant for PLK2 kinase domain
50034019	429	ChEMBL_774472 (CHEMBL1908689)	Binding constant for ABL1-phosphorylated kinase domain
50010824	5	ChEBML_105039	Inhibition of matrilysin, Matrix metalloprotease-7
50010824	7	ChEBML_205496	Inhibition of Stromelysin, matrix metalloprotease-3
50010824	2	ChEBML_106485	Inhibition of collagenase-3, Matrix metalloprotease-13
50010824	1	ChEBML_71650	Inhibition of Gelatinase A, matrix metalloprotease-2
50010824	3	ChEBML_105978	Inhibition of Matrix metalloprotease-1
50010824	6	ChEBML_105069	Inhibition of human neutrophil collagenase-I, Matrix metalloprotease-8
50034019	565	ChEMBL_774594 (CHEMBL1908811)	Binding constant for GSK3A kinase domain
50034019	566	ChEMBL_774314 (CHEMBL1908531)	Binding constant for DAPK3 kinase domain
50010825	4	ChEMBL_96795 (CHEMBL704891)	50% inhibition of JY-8 cell adhesion to ICAM-1 via leukocyte function-associated antigen-1 (LFA-1) with 50% FBS
50034019	567	ChEMBL_774365 (CHEMBL1908582)	Binding constant for ERK1 kinase domain
50034019	568	ChEMBL_774295 (CHEMBL1908512)	Binding constant for ERBB4 kinase domain
50034019	569	ChEMBL_774186 (CHEMBL1908403)	Binding constant for MLK1 kinase domain
50034019	570	ChEMBL_774321 (CHEMBL1908538)	Binding constant for BLK kinase domain
50010827	7	ChEBML_218126	Beta 3-adrenergic receptor agonistic activity as cAMP accumulation in CHO cells
50010827	1	ChEMBL_38133 (CHEMBL650088)	Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor
50010827	6	ChEMBL_218126 (CHEMBL885340)	Beta 3-adrenergic receptor agonistic activity as cAMP accumulation in CHO cells
50010827	3	ChEMBL_38135 (CHEMBL650090)	Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor
50034019	571	ChEMBL_774358 (CHEMBL1908575)	Binding constant for PIM1 kinase domain
50010827	2	ChEBML_38135	Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor
50034019	572	ChEMBL_774251 (CHEMBL1908468)	Binding constant for TLK2 kinase domain
50034019	173	ChEMBL_774603 (CHEMBL1908820)	Binding constant for RET(V804L) kinase domain
50034019	221	ChEMBL_774274 (CHEMBL1908491)	Binding constant for MET kinase domain
50034019	573	ChEMBL_774508 (CHEMBL1908725)	Binding constant for ASK1 kinase domain
50034019	574	ChEMBL_774386 (CHEMBL1908603)	Binding constant for S6K1 kinase domain
50034019	575	ChEMBL_774605 (CHEMBL1908822)	Binding constant for CLK4 kinase domain
50034019	576	ChEMBL_774572 (CHEMBL1908789)	Binding constant for NDR2 kinase domain
50034019	577	ChEMBL_774598 (CHEMBL1908815)	Binding constant for CAMK1D kinase domain
50034019	578	ChEMBL_774614 (CHEMBL1908831)	Binding constant for PIP5K2C kinase domain
50010830	2	ChEBML_35530	In vitro inhibitory concentration against AmpC enzyme
50010830	1	ChEBML_48697	In vitro inhibitory concentration against CCRA enzyme
50010830	3	ChEBML_206322	In vitro inhibitory concentration against TEM-1 enzyme
50010831	12	ChEMBL_140805 (CHEMBL752051)	Affinity for cloned Y5 receptor using [125I]PYY as radioligand
50010831	5	ChEMBL_140802 (CHEMBL752049)	Affinity for cloned Y5 receptor using [125I]PYY as radioligand
50010831	6	ChEMBL_140794 (CHEMBL752933)	Affinity for cloned Y4 receptor using [125I]PP as radioligand
50010831	9	ChEMBL_140798 (CHEMBL752045)	Affinity for cloned Y4 receptor using [125I]PP as radioligand
50010831	4	ChEMBL_140791 (CHEMBL752930)	Affinity for cloned Y2 receptor using [125I]PYY as radioligand
50010831	2	ChEMBL_140792 (CHEMBL752931)	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cells expressing cloned Y2 receptors
50010831	8	ChEMBL_140793 (CHEMBL752932)	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cells expressing cloned Y4 receptors
50010831	7	ChEMBL_140783 (CHEMBL752772)	Affinity for cloned Y1 receptor using [125I]PYY as radioligand
50010831	11	ChEMBL_140789 (CHEMBL752928)	Affinity for cloned Y2 receptor using [125I]PYY as radioligand
50010831	3	ChEMBL_140781 (CHEMBL752770)	Affinity for cloned Y1 receptor using [125I]PYY as radioligand
50034019	579	ChEMBL_774383 (CHEMBL1908600)	Binding constant for SRPK1 kinase domain
50010831	1	ChEMBL_140801 (CHEMBL752048)	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cells expressing cloned Y5 receptors
50034019	580	ChEMBL_774235 (CHEMBL1908452)	Binding constant for ZAK kinase domain
50010832	1	ChEMBL_158618 (CHEMBL765764)	Inhibition of Prostate specific antigen PSA (Serine Protease)
50010833	1	ChEMBL_143106 (CHEMBL749356)	Affinity for the displacement of [3H]paroxetine binding to norepinephrine transporter (NET) in rat frontal cortex membranes
50010833	3	ChEMBL_62151 (CHEMBL675907)	Inhibitory activity in displacing [125I]- RTI-55 binding to dopamine transporter in rat striatal membranes
50010833	2	ChEMBL_201808 (CHEMBL806802)	Affinity for the displacement of [3H]paroxetine binding to serotonin transporter (SERT) in rat frontal cortex membranes
50034019	581	ChEMBL_774302 (CHEMBL1908519)	Binding constant for CDKL3 kinase domain
50034019	582	ChEMBL_774361 (CHEMBL1908578)	Binding constant for PKAC-alpha kinase domain
50034019	172	ChEMBL_774602 (CHEMBL1908819)	Binding constant for RET(M918T) kinase domain
50034019	583	ChEMBL_774219 (CHEMBL1908436)	Binding constant for GRK4 kinase domain
50034019	584	ChEMBL_774399 (CHEMBL1908616)	Binding constant for AURKA kinase domain
50034019	585	ChEMBL_774441 (CHEMBL1908658)	Binding constant for TGFBR1 kinase domain
50010840	1	ChEMBL_208433 (CHEMBL814847)	Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay
50010841	5	ChEMBL_158556 (CHEMBL768699)	Displacement of [3H]dofetilide from HEK cells expressing hERG voltage dependent IKr potassium channel Kv11.1
50010841	3	ChEMBL_2277 (CHEMBL617063)	Ability to displace [3H]ketanserin binding to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells
50010841	2	ChEMBL_60052 (CHEMBL671367)	Ability to displace [3H]spiperone binding to CHO cells stably expressing dopamine receptor D2
50010841	1	ChEMBL_2955 (CHEMBL617895)	Ability to displace [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells
50034019	586	ChEMBL_774203 (CHEMBL1908420)	Binding constant for CSNK1A1L kinase domain
50034019	587	ChEMBL_774284 (CHEMBL1908501)	Binding constant for ERBB2 kinase domain
50034019	588	ChEMBL_774225 (CHEMBL1908442)	Binding constant for PKN1 kinase domain
50034019	589	ChEMBL_774556 (CHEMBL1908773)	Binding constant for PLK4 kinase domain
50034019	590	ChEMBL_774578 (CHEMBL1908795)	Binding constant for IRAK4 kinase domain
50034019	126	ChEMBL_774381 (CHEMBL1908598)	Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain
50034019	591	ChEMBL_774279 (CHEMBL1908496)	Binding constant for TIE2 kinase domain
50034019	592	ChEMBL_774259 (CHEMBL1908476)	Binding constant for BTK kinase domain
50034019	593	ChEMBL_774324 (CHEMBL1908541)	Binding constant for CDK2 kinase domain
50034019	594	ChEMBL_774435 (CHEMBL1908652)	Binding constant for EPHB3 kinase domain
50034019	595	ChEMBL_774261 (CHEMBL1908478)	Binding constant for CDK4-cyclinD3 kinase domain
50034019	596	ChEMBL_774489 (CHEMBL1908706)	Binding constant for EPHA3 kinase domain
50034019	597	ChEMBL_774534 (CHEMBL1908751)	Binding constant for MST2 kinase domain
50034019	598	ChEMBL_774241 (CHEMBL1908458)	Binding constant for CDC2L5 kinase domain
50034019	599	ChEMBL_774554 (CHEMBL1908771)	Binding constant for IKK-epsilon kinase domain
50034019	600	ChEMBL_774397 (CHEMBL1908614)	Binding constant for MST3 kinase domain
50034019	601	ChEMBL_774278 (CHEMBL1908495)	Binding constant for LKB1 kinase domain
50034019	602	ChEMBL_774227 (CHEMBL1908444)	Binding constant for SgK110 kinase domain
50010843	1	ChEMBL_140778 (CHEMBL752767)	Binding affinity towards NPFF receptor was measured by the displacement of [125I]-YLFQPQRF-NH2
50034019	603	ChEMBL_774340 (CHEMBL1908557)	Binding constant for VEGFR2 kinase domain
50034019	604	ChEMBL_774205 (CHEMBL1908422)	Binding constant for NEK11 kinase domain
50034019	605	ChEMBL_774213 (CHEMBL1908430)	Binding constant for SIK kinase domain
50034019	606	ChEMBL_774457 (CHEMBL1908674)	Binding constant for OSR1 kinase domain
50034019	607	ChEMBL_774237 (CHEMBL1908454)	Binding constant for PKMYT1 kinase domain
50034019	608	ChEMBL_774583 (CHEMBL1908800)	Binding constant for MST4 kinase domain
50034019	609	ChEMBL_774413 (CHEMBL1908630)	Binding constant for PLK3 kinase domain
50034019	610	ChEMBL_774257 (CHEMBL1908474)	Binding constant for DDR2 kinase domain
50034019	611	ChEMBL_774346 (CHEMBL1908563)	Binding constant for MLK3 kinase domain
50034019	612	ChEMBL_774576 (CHEMBL1908793)	Binding constant for STK36 kinase domain
50034019	613	ChEMBL_774215 (CHEMBL1908432)	Binding constant for ANKK1 kinase domain
50034019	614	ChEMBL_774615 (CHEMBL1908832)	Binding constant for ADCK4 kinase domain
50034019	54	ChEMBL_774561 (CHEMBL1908778)	Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain
50010848	1	ChEBML_124487	Inhibitory concentration against mitogen-activated protein kinase p38 alpha
50034019	615	ChEMBL_774606 (CHEMBL1908823)	Binding constant for TAOK1 kinase domain
50034019	616	ChEMBL_774310 (CHEMBL1908527)	Binding constant for CDK9 kinase domain
50034019	617	ChEMBL_774265 (CHEMBL1908482)	Binding constant for JAK3(JH1domain-catalytic) kinase domain
50034019	618	ChEMBL_774243 (CHEMBL1908460)	Binding constant for RIPK4 kinase domain
50010851	3	ChEBML_1547	Binding affinity to 5-hydroxytryptamine 1A receptor was determined
50010851	1	ChEBML_60988	Binding affinity to Dopamine receptor D4 was determined
50010851	2	ChEBML_61121	Binding affinity to Dopamine receptor D2 was determined
50010854	1	ChEBML_144497	In vitro inhibitory concentration against rat cerebellar neuronal nitric oxide synthase
50034019	619	ChEMBL_774185 (CHEMBL1908402)	Binding constant for MYLK2 kinase domain
50034019	620	ChEMBL_774359 (CHEMBL1908576)	Binding constant for PIK3CG kinase domain
50010864	1	ChEBML_72366	Inhibitory concentration required against Src homology (SH2) domain of Growth factor receptor bound protein 2 by ELISA binding assay
50034019	621	ChEMBL_774593 (CHEMBL1908810)	Binding constant for MARK1 kinase domain
50034019	622	ChEMBL_774608 (CHEMBL1908825)	Binding constant for CSNK1G1 kinase domain
50034019	623	ChEMBL_774442 (CHEMBL1908659)	Binding constant for ASK2 kinase domain
50034019	624	ChEMBL_774509 (CHEMBL1908726)	Binding constant for BRK kinase domain
50010866	5	ChEBML_106643	Inhibition of Matrix metalloprotease-13
50010866	2	ChEBML_106305	Inhibition of Matrix metalloprotease-1
50010866	1	ChEBML_104558	Inhibition of Matrix metalloprotease-2
50034019	625	ChEMBL_774436 (CHEMBL1908653)	Binding constant for EPHB4 kinase domain
50010866	4	ChEBML_104897	Inhibition of Matrix metalloprotease-3
50010867	2	ChEBML_195315	Antagonistic activity was evaluated in terms of inhibition of Retinoic acid receptor alpha transactivation by ATRA (50 nM)
50010867	1	ChEBML_196317	Antagonistic activity was evaluated in terms of inhibition of Retinoic acid receptor gamma transactivation by ATRA (50 nM); Not detectable
50010867	3	ChEBML_195806	Antagonistic activity was evaluated in terms of inhibition of Retinoic acid receptor beta transactivation by ATRA (50 nM); Not detectable
50010868	1	ChEBML_40341	Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR1 receptor expressed in CHO cells
50010868	2	ChEBML_40365	Concentration required for 50% inhibition of [125I]eotaxin binding to human CCR3 receptor expressed in CHO cells
50010869	1	ChEBML_153391	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain
50010869	2	ChEBML_153613	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain
50010869	4	ChEBML_154191	In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain
50010869	6	ChEBML_139551	Activation of murine PPAR alpha ligand binding domain
50010869	3	ChEBML_139553	Activation of murine PPAR gamma ligand binding domain
50010869	5	ChEBML_139552	Activation of murine PPAR delta ligand binding domain
50010870	2	ChEBML_1211	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus
50010870	1	ChEBML_2669	Displacement of [3H]- Ketanserin from rat cortex 5-hydroxytryptamine 2A receptor
50010871	1	ChEBML_141776	Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells
50010871	2	ChEMBL_141776 (CHEMBL872729)	Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells
50010872	1	ChEBML_141778	Tested for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells at 100 nM
50010872	2	ChEMBL_141778 (CHEMBL748656)	Tested for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells at 100 nM
50034019	626	ChEMBL_774364 (CHEMBL1908581)	Binding constant for PRKD1 kinase domain
50034019	627	ChEMBL_774294 (CHEMBL1908511)	Binding constant for DCAMKL2 kinase domain
50034019	628	ChEMBL_774342 (CHEMBL1908559)	Binding constant for LYN kinase domain
50034019	629	ChEMBL_774320 (CHEMBL1908537)	Binding constant for AXL kinase domain
50034019	630	ChEMBL_774250 (CHEMBL1908467)	Binding constant for CAMK2D kinase domain
50010876	2	ChEMBL_67173 (CHEMBL681157)	In vitro inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha
50010876	1	ChEMBL_67341 (CHEMBL677746)	In vitro inhibitory concentration against [3H]17-beta-estradiol binding to human estrogen receptor 2
50010879	2	ChEMBL_149492 (CHEMBL757825)	Binding affinity towards human mu-opioid receptors in CHO (Chinese hamster ovary) cell lines
50010879	3	ChEMBL_209033 (CHEMBL818108)	Displacement of [125 I]-NKA binding to tachykinin receptor 2 in CHO membranes
50010879	1	ChEMBL_220885 (CHEMBL824640)	Displacement of [125 I]-[MePhe]-NKB binding to hNK-3-CHO (Chinese hamster ovary) membranes
50034019	631	ChEMBL_774337 (CHEMBL1908554)	Binding constant for HCK kinase domain
50034019	632	ChEMBL_774315 (CHEMBL1908532)	Binding constant for ERN1 kinase domain
50010884	1	ChEMBL_36137 (CHEMBL648326)	Binding affinity against human androgen receptor (hAR) in competitive binding assay
50010886	1	ChEMBL_30935 (CHEMBL647744)	Rate of deamination in the presence of calf mucosal adenosine deaminase (ADA)
50010888	10	ChEMBL_39938 (CHEMBL655779)	In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrate
50010888	4	ChEMBL_68631 (CHEMBL680036)	Inhibitory concentration against FAP-1 pNPP
50010888	7	ChEMBL_48681 (CHEMBL658351)	Inhibitory concentration against Cathepsin S
50010888	9	ChEMBL_40064 (CHEMBL855015)	Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10 mer as substrate
50010888	12	ChEMBL_154469 (CHEMBL765607)	Inhibitory concentration against PTP1B using lck as substrate
50010888	3	ChEMBL_68632 (CHEMBL680037)	Inhibitory concentration against FAP-1 using lck-10 mer as substrate
50010888	5	ChEMBL_47611 (CHEMBL659822)	Inhibitory concentration against Cathepsin B
50010888	6	ChEMBL_48520 (CHEMBL663367)	Inhibitory concentration against Cathepsin L
50010888	8	ChEMBL_40065 (CHEMBL655661)	Inhibitory concentration against CD45 protein-tyrosine phosphatase using lck-10mer as substrate
50010888	2	ChEMBL_68633 (CHEMBL680038)	Inhibitory concentration against FAP-1 using lck-10mer as substrate
50034019	633	ChEMBL_774191 (CHEMBL1908408)	Binding constant for STK35 kinase domain
50010888	13	ChEMBL_39939 (CHEMBL655780)	Inhibitory concentration against CD45 protein-tyrosine phosphatase pNPP
50010888	11	ChEMBL_154468 (CHEMBL765606)	Inhibitory concentration against PTP1B lusing lck-10mer as substrate
50010888	1	ChEMBL_68634 (CHEMBL680039)	Inhibitory concentration against FAP-1 using pNPP as substrate
50010889	3	ChEMBL_61588 (CHEMBL675760)	Inhibition of [3H]-Raclopride binding to the rat striatal membranes
50010889	2	ChEMBL_58331 (CHEMBL671947)	Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes
50010889	1	ChEMBL_62018 (CHEMBL671639)	Inhibition of [3H]dopamine uptake in rat striatal synaptosomes
50010891	4	ChEMBL_62749 (CHEMBL674590)	Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]IABN the radioligand.
50010891	5	ChEMBL_202070 (CHEMBL811340)	Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H](+)-pentazocine as radioligand.
50010891	3	ChEMBL_62231 (CHEMBL675742)	Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]IABN radioligand.
50010891	1	ChEMBL_61792 (CHEMBL670546)	Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]IABN radioligand
50010891	2	ChEMBL_202071 (CHEMBL811341)	Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H](+)-pentazocine as radioligand
50034019	634	ChEMBL_774309 (CHEMBL1908526)	Binding constant for CDK8 kinase domain
50034019	635	ChEMBL_774538 (CHEMBL1908755)	Binding constant for VRK2 kinase domain
50023540	3	ChEMBL_508369 (CHEMBL1005695)	Inhibition of pig pancreatic group 1 secretory phospholipase A2 by liquid scintillation counting
50023540	2	ChEMBL_508371 (CHEMBL1005697)	Inhibition of human synovial recombinant group 2 secretory phospholipase A2 by liquid scintillation counting
50023540	1	ChEMBL_508373 (CHEMBL1005699)	Inhibition of bee venom group 3 secretory phospholipase A2 by liquid scintillation counting
50010894	1	ChEBML_157720	Inhibitory activity against HIV protease
50010895	1	ChEBML_154331	Inhibition of Peptidyl deformylase (PDF)
50034019	636	ChEMBL_774305 (CHEMBL1908522)	Binding constant for BMPR1B kinase domain
50034019	637	ChEMBL_774280 (CHEMBL1908497)	Binding constant for IGF1R kinase domain
50034019	638	ChEMBL_774335 (CHEMBL1908552)	Binding constant for FRK kinase domain
50034019	639	ChEMBL_774283 (CHEMBL1908500)	Binding constant for CHEK2 kinase domain
50034019	640	ChEMBL_774242 (CHEMBL1908459)	Binding constant for DLK kinase domain
50034019	641	ChEMBL_774289 (CHEMBL1908506)	Binding constant for MYLK4 kinase domain
50034019	642	ChEMBL_774376 (CHEMBL1908593)	Binding constant for PRKR kinase domain
50034019	643	ChEMBL_774536 (CHEMBL1908753)	Binding constant for TESK1 kinase domain
50010899	13	ChEBML_1342	Binding affinity to cloned human 5-hydroxytryptamine 1B receptor
50010899	4	ChEBML_945	In vitro binding affinity to human 5-hydroxytryptamine 1A receptor
50010899	12	ChEBML_84864	Binding affinity to cloned Histamine H1 receptor
50010899	26	ChEBML_139258	Binding affinity to cloned Muscarinic acetylcholine receptor M4
50010899	11	ChEBML_138981	Binding affinity to cloned Muscarinic acetylcholine receptor M3
50010899	3	ChEBML_3582	Binding affinity to cloned human 5-hydroxytryptamine 5A receptor
50010899	23	ChEBML_62768	In vitro binding affinity to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]sulpiride
50010899	8	ChEBML_2294	Binding affinity to cloned human 5-hydroxytryptamine 2A receptor
50010899	6	ChEBML_3699	In vitro binding affinity to human 5-hydroxytryptamine 7 receptor
50010899	1	ChEBML_58671	In vitro binding affinity to cloned rat Dopamine receptor D1 measured by displacement of radioligand [3H]SCH-23,982
50010899	17	ChEBML_61336	In vitro binding affinity to cloned rat D5 receptor measured by displacement of radioligand [3H]SCH-23,982
50010899	14	ChEBML_2049	Binding affinity to cloned human 5-hydroxytryptamine 1E receptor
50010899	24	ChEBML_145960	Binding affinity to cloned Opioid receptor kappa 1
50010899	27	ChEBML_149318	Binding affinity to cloned Opioid receptor mu 1
50010899	10	ChEMBL_1725 (CHEMBL616930)	In vitro binding affinity to human 5-hydroxytryptamine 1D receptor
50010899	15	ChEBML_60982	In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]spiperone
50034019	644	ChEMBL_774193 (CHEMBL1908410)	Binding constant for ERK2 kinase domain
50010899	16	ChEBML_139519	Binding affinity to cloned Muscarinic acetylcholine receptor M5
50010899	2	ChEBML_3627	In vitro binding affinity to human 5-hydroxytryptamine 6 receptor
50010899	5	ChEBML_62878	In vitro binding affinity to rat Dopamine receptor D2 measured by displacement of the radioligand [3H]spiperone
50010899	7	ChEBML_2972	Binding affinity to cloned human 5-hydroxytryptamine 2C receptor
50010899	25	ChEBML_1725	In vitro binding affinity to human 5-hydroxytryptamine 1D receptor
50010899	22	ChEBML_139215	Binding affinity to cloned Muscarinic acetylcholine receptor M1
50034019	645	ChEMBL_774473 (CHEMBL1908690)	Binding constant for ABL2 kinase domain
50034019	646	ChEMBL_774367 (CHEMBL1908584)	Binding constant for ERK3 kinase domain
50034019	647	ChEMBL_774405 (CHEMBL1908622)	Binding constant for RIPK2 kinase domain
50034019	648	ChEMBL_774432 (CHEMBL1908649)	Binding constant for EPHA4 kinase domain
50010899	21	ChEBML_60812	In vitro binding affinity to human Dopamine receptor D4
50034019	649	ChEMBL_774568 (CHEMBL1908785)	Binding constant for ARK5 kinase domain
50034019	650	ChEMBL_774244 (CHEMBL1908461)	Binding constant for CLK1 kinase domain
50010900	3	ChEBML_210661	Inhibitory activity against Trypsin
50010900	4	ChEBML_225391	Inhibitory activity against tissue plasminogen activator
50010900	7	ChEMBL_213135 (CHEMBL817635)	Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)
50010900	1	ChEBML_209230	Inhibitory activity against Thrombin (no observable inhibition at this screening concentration)
50010900	6	ChEBML_197816	Inhibitory activity against Serine protease chymotrypsin (no observable inhibition at this screening concentration)
50010900	5	ChEBML_155431	Inhibitory activity against plasmin
50010901	1	ChEMBL_925239 (CHEMBL3073731)	Inhibition of Bos taurus (bovine) brain tubulin polymerization
50034019	651	ChEMBL_774200 (CHEMBL1908417)	Binding constant for HIPK4 kinase domain
50034019	652	ChEMBL_774446 (CHEMBL1908663)	Binding constant for DCAMKL1 kinase domain
50034019	653	ChEMBL_774379 (CHEMBL1908596)	Binding constant for ROS1 kinase domain
50034019	654	ChEMBL_774402 (CHEMBL1908619)	Binding constant for CAMK1 kinase domain
50034019	655	ChEMBL_774401 (CHEMBL1908618)	Binding constant for MAP4K3 kinase domain
50034019	656	ChEMBL_774308 (CHEMBL1908525)	Binding constant for CDK3 kinase domain
50010903	2	ChEMBL_194950 (CHEMBL795906)	Inhibition of rat Receptor protein-tyrosine kinase erbB2
50010903	3	ChEBML_194951	Inhibition of erbB4 receptor
50010903	4	ChEBML_50330	Inhibition of Cyclin-dependent kinase 1
50010903	5	ChEBML_161623	Inhibition of Raf kinase
50010903	6	ChEBML_78512	Inhibition of EGF receptor overexpressing HN5 cell proliferation
50010903	7	ChEBML_50667	Inhibition of Cyclin-dependent kinase 2
50010903	8	ChEBML_202599	Inhibition of Src kinase
50034019	657	ChEMBL_774492 (CHEMBL1908709)	Binding constant for GAK kinase domain
50034019	658	ChEMBL_774204 (CHEMBL1908421)	Binding constant for TAK1 kinase domain
50034019	659	ChEMBL_774286 (CHEMBL1908503)	Binding constant for RPS6KA4(Kin.Dom.1-N-terminal) kinase domain
50034019	660	ChEMBL_774440 (CHEMBL1908657)	Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain
50034019	661	ChEMBL_774506 (CHEMBL1908723)	Binding constant for MAP3K1 kinase domain
50034019	662	ChEMBL_774212 (CHEMBL1908429)	Binding constant for PYK2 kinase domain
50010905	4	ChEMBL_71953 (CHEMBL685884)	In vitro inhibition against human Geranylgeranyl transferase type I catalyzed by incorporation of [3H]- GGPP (geranylgeranyl pyrophosphate) into biotinylated peptide corresponding to the c-terminus of human Ki-Ras
50010905	3	ChEBML_70443	In vitro inhibition against human Farnesyltransferase catalyzed by incorporation of [3H]- FPP into recombinant Ras-CVIM
50010905	1	ChEBML_70429	Concentration required to displace 50% of a radiolabeled farnesyltransferase inhibitor from FPTase in cultured Ha-Ras transformed RAT1 cells
50010906	1	ChEBML_45619	Inhibitory constant of carboxypeptidase A (CPA) in absence of Zinc ion.
50034019	663	ChEMBL_774332 (CHEMBL1908549)	Binding constant for FES kinase domain
50010909	1	ChEBML_41920	Agonistic activity against C-C chemokine receptor type 3 by displacing [125I]-MCP-4 radioligand, using CCR3 binding assay
50034019	664	ChEMBL_774443 (CHEMBL1908660)	Binding constant for LATS1 kinase domain
50010909	4	ChEMBL_41917 (CHEMBL856084)	Agonistic activity of the compound against C-C chemokine receptor type 3 by displacing Eotaxin radioligand,using Esonophil chemotaxis assay
50010910	1	ChEMBL_35722 (CHEMBL652792)	Antagonist activity of the compound against C-C chemokine receptor type 3
50010910	3	ChEMBL_41921 (CHEMBL650503)	Antagonist activity against C-C chemokine receptor type 3
50010915	2	ChEMBL_154313 (CHEMBL762798)	Inhibition of the isolated native E. coli peptide deformylase (PDF)
50010915	3	ChEMBL_106455 (CHEMBL716817)	Inhibition of human macrophage elastase, matrix metalloproteinase-12 (MMP-12).
50010915	5	ChEMBL_106480 (CHEMBL719149)	Inhibition of Collagenase-3, matrix metalloptroteinase-13 (MMP-13).
50010915	6	ChEMBL_64422 (CHEMBL674868)	Inhibition against endothelin-converting enzyme.
50010915	1	ChEMBL_36897 (CHEMBL648687)	Inhibition against angiotensin I converting enzyme
50010915	4	ChEMBL_144633 (CHEMBL752991)	Inhibition against neutral endopeptidase
50034019	665	ChEMBL_774585 (CHEMBL1908802)	Binding constant for EPHB2 kinase domain
50034019	666	ChEMBL_774533 (CHEMBL1908750)	Binding constant for PRKG2 kinase domain
50034019	667	ChEMBL_774541 (CHEMBL1908758)	Binding constant for MAP4K5 kinase domain
50010919	2	ChEMBL_35679 (CHEMBL649528)	Inhibition constant for amyloid beta compared to [125I]-TZDM
50010919	4	ChEMBL_35678 (CHEMBL649527)	Inhibition constant of compound on ligand binding to aggregates of Amyloid beta was measured by comparing with [125I]-IMSB
50010919	3	ChEMBL_35677 (CHEMBL649526)	Inhibition constant of compound on ligand binding to aggregates of Amyloid beta was measured by comparing with [125I]-TZDM
50010919	1	ChEMBL_35680 (CHEMBL649529)	Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB
50010921	2	ChEMBL_214636 (CHEMBL819716)	Inhibitory activity against vitronectin receptor (alpha V beta 3)
50010921	1	ChEMBL_30109 (CHEMBL642036)	Inhibitory activity against alpha IIb beta 3 integrin
50034019	668	ChEMBL_774231 (CHEMBL1908448)	Binding constant for PIP5K1C kinase domain
50034019	669	ChEMBL_774445 (CHEMBL1908662)	Binding constant for LZK kinase domain
50034019	670	ChEMBL_774368 (CHEMBL1908585)	Binding constant for ERK5 kinase domain
50034019	671	ChEMBL_774570 (CHEMBL1908787)	Binding constant for ICK kinase domain
50034019	672	ChEMBL_774327 (CHEMBL1908544)	Binding constant for CSNK1E kinase domain
50034019	673	ChEMBL_774510 (CHEMBL1908727)	Binding constant for LOK kinase domain
50034019	674	ChEMBL_774581 (CHEMBL1908798)	Binding constant for TAOK3 kinase domain
50010924	3	ChEMBL_34198 (CHEMBL649215)	Binding affinity to hamster alpha-1B adrenergic receptor
50010924	2	ChEMBL_32722 (CHEMBL645994)	Binding affinity of the compound to rat alpha-1D adrenergic receptor expressed in LTK cells
50010924	1	ChEMBL_34023 (CHEMBL646012)	Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland
50034019	675	ChEMBL_774600 (CHEMBL1908817)	Binding constant for EPHA8 kinase domain
50034019	676	ChEMBL_774192 (CHEMBL1908409)	Binding constant for DYRK1A kinase domain
50034019	677	ChEMBL_774256 (CHEMBL1908473)	Binding constant for PCTK2 kinase domain
50034019	678	ChEMBL_774353 (CHEMBL1908570)	Binding constant for PAK3 kinase domain
50034019	679	ChEMBL_774201 (CHEMBL1908418)	Binding constant for MEK5 kinase domain
50034019	680	ChEMBL_774384 (CHEMBL1908601)	Binding constant for NEK4 kinase domain
50034019	681	ChEMBL_774394 (CHEMBL1908611)	Binding constant for WEE1 kinase domain
50034019	682	ChEMBL_774196 (CHEMBL1908413)	Binding constant for CSNK1D kinase domain
50010929	3	ChEBML_70432	Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by human farnesyltransferase.
50010929	4	ChEMBL_71952 (CHEMBL685883)	Inhibition of rate of incorporation of [3H]GGPP into a biotinylated peptide corresponding to C-terminus of human Ki-Ras by human geranylgeranyl-transferase type I.
50010929	6	ChEMBL_70432 (CHEMBL681289)	Inhibition of rate of incorporation of [3H]FPP into recombinant Ras-CVIM by human farnesyltransferase.
50010929	5	ChEMBL_70734 (CHEMBL680527)	Displacement of radiolabeled FTI from Farnesyltransferase in cultured v-Ha-ras-transformed RAT1 cells
50034019	683	ChEMBL_774617 (CHEMBL1908834)	Binding constant for MEK2 kinase domain
50034019	684	ChEMBL_774323 (CHEMBL1908540)	Binding constant for CAMK4 kinase domain
50034019	685	ChEMBL_774539 (CHEMBL1908756)	Binding constant for YSK1 kinase domain
50034019	686	ChEMBL_774428 (CHEMBL1908645)	Binding constant for CSK kinase domain
50034019	687	ChEMBL_774288 (CHEMBL1908505)	Binding constant for TRKA kinase domain
50034019	688	ChEMBL_774183 (CHEMBL1908400)	Binding constant for MAPKAPK2 kinase domain
50034019	689	ChEMBL_774349 (CHEMBL1908566)	Binding constant for NEK2 kinase domain
50010933	2	ChEBML_201309	Inhibitory concentration against neutral sphingomyelinase (N-Smase) from rat brain microsomes
50010935	2	ChEBML_80657	In vitro HMG-CoA reductase inhibitory activity to inhibit sterol synthesis in cell free system in rat
50010935	1	ChEBML_80476	In vitro HMG-CoA reductase inhibitory activity to inhibit cellular steroidgenesis in Hep G2 cells (human hepatoma cell line)
50010936	3	ChEMBL_217951 (CHEMBL872803)	Inhibitory concentration against alphaV-beta3 integrin
50010936	4	ChEMBL_70184 (CHEMBL685321)	Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA
50010937	2	ChEMBL_70188 (CHEMBL684253)	In vitro inhibitory activity against blockage of binding of fibrinogen to purified human GPIIbIIIa
50010938	1	ChEBML_149042	Inhibitory concentration required for antagonist activity against oxytocin receptor
50010944	3	ChEBML_159921	Inhibitory concentration against human recombinant Prostaglandin G/H synthase 2 cloned and expressed in baculovirus (Sf9)
50034019	690	ChEMBL_774234 (CHEMBL1908451)	Binding constant for NEK7 kinase domain
50034019	691	ChEMBL_774218 (CHEMBL1908435)	Binding constant for MLCK kinase domain
50034019	692	ChEMBL_774611 (CHEMBL1908828)	Binding constant for FGFR2 kinase domain
50034019	693	ChEMBL_774350 (CHEMBL1908567)	Binding constant for NEK3 kinase domain
50034019	694	ChEMBL_774590 (CHEMBL1908807)	Binding constant for TRPM6 kinase domain
50034019	695	ChEMBL_774528 (CHEMBL1908745)	Binding constant for PRKCD kinase domain
50034019	696	ChEMBL_774253 (CHEMBL1908470)	Binding constant for AMPK-alpha1 kinase domain
50034019	697	ChEMBL_774245 (CHEMBL1908462)	Binding constant for TRKC kinase domain
50034019	698	ChEMBL_774454 (CHEMBL1908671)	Binding constant for PIK3CD kinase domain
50034019	699	ChEMBL_774410 (CHEMBL1908627)	Binding constant for TNK1 kinase domain
50034019	700	ChEMBL_774550 (CHEMBL1908767)	Binding constant for PFTK1 kinase domain
50034019	701	ChEMBL_774620 (CHEMBL1908837)	Binding constant for MARK4 kinase domain
50034019	702	ChEMBL_774595 (CHEMBL1908812)	Binding constant for PAK6 kinase domain
50034019	703	ChEMBL_774551 (CHEMBL1908768)	Binding constant for STK39 kinase domain
50034019	704	ChEMBL_774498 (CHEMBL1908715)	Binding constant for YES kinase domain
50034019	705	ChEMBL_774559 (CHEMBL1908776)	Binding constant for NEK6 kinase domain
50010947	1	ChEBML_37419	Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method
50010947	2	ChEMBL_37419 (CHEMBL650036)	Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method
50034019	706	ChEMBL_774592 (CHEMBL1908809)	Binding constant for YANK2 kinase domain
50034019	707	ChEMBL_774385 (CHEMBL1908602)	Binding constant for CDKL5 kinase domain
50010950	2	ChEMBL_220896 (CHEMBL824651)	Binding affinity at human PPAR alpha
50010950	4	ChEMBL_220899 (CHEMBL824654)	Binding affinity towards human peroxidase proliferator activated receptor alpha (hPPARalpha)
50010950	1	ChEMBL_220904 (CHEMBL824659)	Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma)
50010950	3	ChEMBL_220901 (CHEMBL824656)	Binding affinity at human PPAR gamma
50010952	1	ChEMBL_87387 (CHEMBL881938)	Inhibitory concentration against histone deacetylase activity
50034019	708	ChEMBL_774450 (CHEMBL1908667)	Binding constant for CDK5 kinase domain
50034019	709	ChEMBL_774408 (CHEMBL1908625)	Binding constant for CDKL2 kinase domain
50034019	710	ChEMBL_774505 (CHEMBL1908722)	Binding constant for MAK kinase domain
50034019	711	ChEMBL_774344 (CHEMBL1908561)	Binding constant for CTK kinase domain
50034019	712	ChEMBL_774424 (CHEMBL1908641)	Binding constant for ALK kinase domain
50034019	713	ChEMBL_774530 (CHEMBL1908747)	Binding constant for PKN2 kinase domain
50034019	714	ChEMBL_774421 (CHEMBL1908638)	Binding constant for CDKL1 kinase domain
50034019	715	ChEMBL_774373 (CHEMBL1908590)	Binding constant for MEK1 kinase domain
50034019	716	ChEMBL_774567 (CHEMBL1908784)	Binding constant for MELK kinase domain
50034019	717	ChEMBL_774187 (CHEMBL1908404)	Binding constant for DCAMKL3 kinase domain
50034019	718	ChEMBL_774232 (CHEMBL1908449)	Binding constant for SNRK kinase domain
50034019	719	ChEMBL_774389 (CHEMBL1908606)	Binding constant for TGFBR2 kinase domain
50034019	720	ChEMBL_774292 (CHEMBL1908509)	Binding constant for SBK1 kinase domain
50034019	721	ChEMBL_774494 (CHEMBL1908711)	Binding constant for PRKCE kinase domain
50034019	722	ChEMBL_774549 (CHEMBL1908766)	Binding constant for TLK1 kinase domain
50034019	723	ChEMBL_774438 (CHEMBL1908655)	Binding constant for PIK3C2G kinase domain
50034019	724	ChEMBL_774319 (CHEMBL1908536)	Binding constant for AKT2 kinase domain
50034019	725	ChEMBL_774609 (CHEMBL1908826)	Binding constant for HIPK2 kinase domain
50034019	726	ChEMBL_774586 (CHEMBL1908803)	Binding constant for MARK2 kinase domain
50034019	727	ChEMBL_774542 (CHEMBL1908759)	Binding constant for MAP3K2 kinase domain
50034019	728	ChEMBL_774497 (CHEMBL1908714)	Binding constant for TIE1 kinase domain
50034019	729	ChEMBL_774316 (CHEMBL1908533)	Binding constant for IKK-beta kinase domain
50034019	730	ChEMBL_774188 (CHEMBL1908405)	Binding constant for CDC2L1 kinase domain
50010958	2	ChEMBL_31125 (CHEMBL643553)	In vitro inhibition of Adenosine kinase (AK)
50010958	1	ChEMBL_88738 (CHEMBL700683)	Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma) cells.
50034019	731	ChEMBL_774493 (CHEMBL1908710)	Binding constant for LCK kinase domain
50034019	732	ChEMBL_774513 (CHEMBL1908730)	Binding constant for PCTK1 kinase domain
50034019	733	ChEMBL_774345 (CHEMBL1908562)	Binding constant for MAP3K3 kinase domain
50034019	734	ChEMBL_774372 (CHEMBL1908589)	Binding constant for p38-delta kinase domain
50034019	735	ChEMBL_774301 (CHEMBL1908518)	Binding constant for YANK1 kinase domain
50034019	736	ChEMBL_774574 (CHEMBL1908791)	Binding constant for CDK11 kinase domain
50034019	737	ChEMBL_774564 (CHEMBL1908781)	Binding constant for HUNK kinase domain
50034019	738	ChEMBL_774304 (CHEMBL1908521)	Binding constant for PIP5K1A kinase domain
50034019	739	ChEMBL_774207 (CHEMBL1908424)	Binding constant for FYN kinase domain
50034019	740	ChEMBL_774573 (CHEMBL1908790)	Binding constant for TNIK kinase domain
50034019	741	ChEMBL_774388 (CHEMBL1908605)	Binding constant for TEC kinase domain
50034019	742	ChEMBL_774433 (CHEMBL1908650)	Binding constant for EPHA7 kinase domain
50034019	743	ChEMBL_774223 (CHEMBL1908440)	Binding constant for LTK kinase domain
50034019	744	ChEMBL_774622 (CHEMBL1908839)	Binding constant for TSSK1B kinase domain
50034019	745	ChEMBL_774363 (CHEMBL1908580)	Binding constant for PRKCI kinase domain
50034019	746	ChEMBL_774425 (CHEMBL1908642)	Binding constant for BMPR1A kinase domain
50034019	747	ChEMBL_774300 (CHEMBL1908517)	Binding constant for ACVR2B kinase domain
50034019	748	ChEMBL_774557 (CHEMBL1908774)	Binding constant for DAPK2 kinase domain
50034019	749	ChEMBL_774502 (CHEMBL1908719)	Binding constant for MUSK kinase domain
50034019	750	ChEMBL_774296 (CHEMBL1908513)	Binding constant for HPK1 kinase domain
50034019	751	ChEMBL_774610 (CHEMBL1908827)	Binding constant for FGFR4 kinase domain
50034019	752	ChEMBL_774391 (CHEMBL1908608)	Binding constant for TXK kinase domain
50034019	753	ChEMBL_774199 (CHEMBL1908416)	Binding constant for GRK7 kinase domain
50034019	754	ChEMBL_774239 (CHEMBL1908456)	Binding constant for PFCDPK1(P.falciparum) kinase domain
50034019	755	ChEMBL_774328 (CHEMBL1908545)	Binding constant for CSNK2A1 kinase domain
50034019	756	ChEMBL_774224 (CHEMBL1908441)	Binding constant for ZAP70 kinase domain
50034019	757	ChEMBL_774589 (CHEMBL1908806)	Binding constant for BIKE kinase domain
50034019	758	ChEMBL_774545 (CHEMBL1908762)	Binding constant for CIT kinase domain
50034019	759	ChEMBL_774453 (CHEMBL1908670)	Binding constant for JAK2(JH1domain-catalytic) kinase domain
50034019	760	ChEMBL_774356 (CHEMBL1908573)	Binding constant for PDPK1 kinase domain
50034019	761	ChEMBL_774190 (CHEMBL1908407)	Binding constant for SRMS kinase domain
50034019	762	ChEMBL_774501 (CHEMBL1908718)	Binding constant for LIMK2 kinase domain
50010968	5	ChEMBL_200857 (CHEMBL807066)	Tested for ability to bind to 20 uM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) receptor subtype 5.
50010968	2	ChEMBL_200697 (CHEMBL807107)	Tested for ability to bind to 20 uM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) receptor subtype 3.
50010968	3	ChEMBL_200539 (CHEMBL805043)	Tested for ability to bind to 20 uM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) receptor subtype 1.
50010968	4	ChEMBL_200839 (CHEMBL807049)	Tested for ability to bind to 20 uM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) receptor subtype 4.
50010968	1	ChEMBL_200677 (CHEMBL807089)	Tested for ability to bind to 20 uM thick cryostat sections of a membrane pellet of cells transfected with human cloned somatostatin (sst) receptor subtype 2.
50034019	763	ChEMBL_774619 (CHEMBL1908836)	Binding constant for SNARK kinase domain
50010970	1	ChEMBL_49485 (CHEMBL659907)	Inhibitory activity against clostridium histolyticum collagenase
50010972	1	ChEBML_68792	Inhibitory activity against fatty acid amide hydrolase (FAAH)
50034019	764	ChEMBL_774208 (CHEMBL1908425)	Binding constant for NIM1 kinase domain
50010976	3	ChEBML_106111	In vitro inhibition of Matrix metalloprotease-1.
50010976	4	ChEBML_104731	In vitro inhibition of Matrix metalloprotease-3
50010976	1	ChEBML_101908	In vitro inhibition of Matrix metalloprotease-2
50010976	2	ChEMBL_101908 (CHEMBL710982)	In vitro inhibition of Matrix metalloprotease-2
50010977	5	ChEBML_104388	In vitro inhibition of human Matrix metalloprotease-2.
50010977	2	ChEBML_106109	In vitro inhibition of human Matrix metalloprotease-1.
50010977	1	ChEBML_104729	Inhibition of Matrix metalloprotease-3
50010977	3	ChEBML_105045	Inhibition of Matrix metalloprotease-7
50010978	2	ChEBML_159582	Inhibitory concentration against Prostaglandin G/H synthase 2
50010980	24	ChEMBL_70098 (CHEMBL678328)	Antagonistic potency against human Gamma-aminobutyric acid A receptor alpha-1-beta-3-gamma-2 expressed in Xenopus oocytes at 1 mM
50010980	23	ChEMBL_70691 (CHEMBL679474)	Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2 expressed in Xenopus oocytes
50010980	25	ChEMBL_70095 (CHEMBL678325)	Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-1-beta-3-gamma-2 expressed in Xenopus oocytes
50010980	18	ChEMBL_70694 (CHEMBL679477)	Antagonistic potency against human Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2 expressed in Xenopus oocytes at 1 mM
50010980	16	ChEMBL_70415 (CHEMBL682250)	Antagonistic potency against human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in Xenopus oocytes at 1 mM
50010980	19	ChEMBL_70411 (CHEMBL682825)	Agonist activity on human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in Xenopus oocytes
50010980	29	ChEMBL_70537 (CHEMBL681094)	Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-4-beta-3-gamma-2
50010980	27	ChEMBL_70714 (CHEMBL682418)	Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2
50010980	22	ChEMBL_70256 (CHEMBL682715)	Agonist activity on human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 expressed in Xenopus oocytes
50010980	30	ChEMBL_70539 (CHEMBL682901)	Antagonistic potency against human Effective dose for agonist activity on human Gamma-aminobutyric acid A receptor alpha-4-beta-3-gamma-2
50010980	26	ChEMBL_70260 (CHEMBL681247)	Antagonistic potency against human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 expressed in Xenopus oocytes at 1 mM
50010980	20	ChEMBL_70257 (CHEMBL681244)	Effective dose for agonist activity on human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 in Xenopus oocytes
50010980	28	ChEMBL_70538 (CHEMBL681095)	Antagonistic potency against human Effective dose for agonist activity on human Gamma-aminobutyric acid A receptor alpha-4-beta-3-gamma-2
50010980	21	ChEMBL_70410 (CHEMBL682824)	Effective dose for agonist activity on activity on human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in Xenopus oocytes
50010980	17	ChEMBL_68432 (CHEMBL683044)	Antagonistic potency against human Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2 expressed in Xenopus oocytes at 1 mM
50034019	765	ChEMBL_774395 (CHEMBL1908612)	Binding constant for PIP5K2B kinase domain
50010982	1	ChEBML_196329	Binding affinity against Retinoic acid receptor gamma
50035132	2	ChEMBL_72097 (CHEMBL682485)	Inhibition of recombinant mammalian Geranylgeranyl transferase type I expressed in baculovirus
50018115	7	ChEMBL_2264664	Inhibition of CDK4 (unknown origin)
50010991	5	ChEMBL_212683 (CHEMBL815468)	Inhibition of trypsin in human mast cells
50010991	6	ChEMBL_210696 (CHEMBL817294)	Inhibition of Tryptase in human mast cells
50023563	1	ChEMBL_508956 (CHEMBL1005508)	Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
50023563	2	ChEMBL_508957 (CHEMBL1005509)	Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid
50023575	2	ChEMBL_509217 (CHEMBL995129)	Inhibition of electric eel AChE by Ellman's method
50023575	1	ChEMBL_509218 (CHEMBL995130)	Inhibition of horse BChE
50010990	3	ChEBML_48933	Inhibition of recombinant human CETP mediated transfer of [3H]cholesteryl ester from HDL to LDL
50010990	2	ChEMBL_48935 (CHEMBL661649)	In vitro human CETP inhibitory activity was assessed by measuring the rate of [3H]cholesteryl ester ([3H]CE) from HDL donor particles to LDL acceptor particles using human plasma
50010991	2	ChEBML_155244	Inhibition plasmin in human mast cells
50010991	4	ChEBML_208498	Inhibition of thrombin in human mast cells
50010998	3	ChEMBL_52037 (CHEMBL665626)	Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assay
50010992	1	ChEBML_155888	Inhibitory activity against secretory Phospholipase A2 (s-PLA2) of Naja naja
50010993	1	ChEBML_205726	In vitro inhibition of binding of [125I]Bolton-Hunter SP to Tachykinin receptor 1 in human IM-9 cell line
50010996	3	ChEBML_210611	Inhibitory activity against HSV-1 Thymidine Kinase (HSV-1 TK)
50010996	1	ChEBML_210614	Inhibitory activity against HSV-2 Thymidine Kinase (HSV-2 TK)
50010997	1	ChEBML_61501	Ability to inhibit human dopamine uptake by the human dopamine transporter in EM4 cells stably infected with Flag HA-hDAT
50010999	1	ChEBML_211864	Concentration inhibiting tubulin polymerization
50034019	766	ChEMBL_774313 (CHEMBL1908530)	Binding constant for CSNK1G2 kinase domain
50011004	7	ChEBML_216444	Compound was evaluated for its inhibitory activity against bovine pancreatic alpha-chymotrypsin
50011004	3	ChEBML_207956	Compound was evaluated for its inhibitory activity against human thrombin
50011004	2	ChEBML_212339	Compound was evaluated for its inhibitory activity against bovine pancreatic trypsin
50011004	5	ChEBML_45338	Compound was evaluated for its inhibitory activity against human cathepsin G
50011004	4	ChEBML_155057	Compound was evaluated for its inhibitory activity against human plasmin
50011004	1	ChEBML_197650	Compound was evaluated for its inhibitory activity against human Serine protease chymase
50011004	6	ChEBML_63637	Compound was evaluated for its inhibitory activity against human neutrophil elastase
50011005	2	ChEMBL_49437 (CHEMBL659787)	Compound was evaluated for its inhibitory activity against human chymase
50011005	1	ChEBML_197651	Compound was evaluated for its inhibitory activity against human Serine protease chymase
50034019	767	ChEMBL_774366 (CHEMBL1908583)	Binding constant for ERK4 kinase domain
50034019	768	ChEMBL_774202 (CHEMBL1908419)	Binding constant for MKK7 kinase domain
50034019	769	ChEMBL_774217 (CHEMBL1908434)	Binding constant for EPHA5 kinase domain
50034019	770	ChEMBL_774552 (CHEMBL1908769)	Binding constant for TBK1 kinase domain
50011011	1	ChEBML_71604	Inhibition of [125I]buserelin binding to rat Gonadotropin-releasing hormone receptor.
50034019	771	ChEMBL_774490 (CHEMBL1908707)	Binding constant for FER kinase domain
50034019	772	ChEMBL_774563 (CHEMBL1908780)	Binding constant for LATS2 kinase domain
50035138	1	ChEMBL_69265 (CHEMBL677083)	Inhibitory activity against fucosyltransferase (FucT V) in the presence of 1 mM fucosyl acceptor N-acetyllactosamine
50011067	4	ChEMBL_70441 (CHEMBL681298)	In vitro ability to displace radiolabeled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells
50011012	2	ChEBML_65627	In vitro inhibition of [125I]ET1 binding to CHO cells expressing recombinant human Endothelin A receptor
50011012	1	ChEBML_63848	Inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin B receptor at a concentration of 1 uM
50011012	3	ChEMBL_65656 (CHEMBL679831)	Tested for in vitro inhibition of [125I]ET1 binding to CHO cells expressing human Endothelin A receptor
50034019	773	ChEMBL_774322 (CHEMBL1908539)	Binding constant for BMX kinase domain
50011015	1	ChEBML_43685	Binding affinity was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme
50034019	774	ChEMBL_774318 (CHEMBL1908535)	Binding constant for ACVR2A kinase domain
50034019	775	ChEMBL_774560 (CHEMBL1908777)	Binding constant for EIF2AK1 kinase domain
50034019	776	ChEMBL_774254 (CHEMBL1908471)	Binding constant for QSK kinase domain
50034019	777	ChEMBL_774411 (CHEMBL1908628)	Binding constant for CLK3 kinase domain
50034019	778	ChEMBL_774612 (CHEMBL1908829)	Binding constant for FGFR1 kinase domain
50011020	1	ChEMBL_35681 (CHEMBL649530)	Inhibitory activity against binding of [125I]IMSB to amyloid beta in brain
50011021	1	ChEMBL_205730 (CHEMBL809497)	Inhibition of specific binding at tachykinin receptor 1
50011021	2	ChEMBL_205394 (CHEMBL817411)	In vitro affinity for specific binding at Gerbil tachykinin receptor 1
50011022	7	ChEMBL_217291 (CHEMBL823759)	Inhibition of [3H]flumazenil binding to rat alpha-3-beta-2-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50034019	779	ChEMBL_774378 (CHEMBL1908595)	Binding constant for GRK1 kinase domain
50011022	6	ChEMBL_70394 (CHEMBL683020)	Inhibition of [3H]-flumazenil binding to rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells
50011022	2	ChEMBL_217124 (CHEMBL822944)	Inhibition of [3H]flumazenil binding to rat alpha-1-beta-2-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50034019	780	ChEMBL_774423 (CHEMBL1908640)	Binding constant for ACVR1B kinase domain
50011022	3	ChEMBL_217125 (CHEMBL822945)	Inhibition of [3H]flumazenil binding to rat alpha-1-beta-2-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50011022	10	ChEMBL_217645 (CHEMBL818517)	Inhibition of [3H]flumazenil binding to rat alpha-5-beta-3-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50011022	1	ChEMBL_217646 (CHEMBL818518)	Inhibition of [3H]flumazenil binding to rat alpha-5-beta-3-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50011022	9	ChEMBL_69455 (CHEMBL682784)	Inhibition of [3H]flumazenil specific binding at rat GABA-A alpha-1-beta-2-gamma-2 receptor subunits expressed in HEK293 cells
50034019	781	ChEMBL_774455 (CHEMBL1908672)	Binding constant for PLK1 kinase domain
50011022	8	ChEMBL_217292 (CHEMBL823760)	Inhibition of [3H]flumazenil binding to rat alpha-3-beta-2-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50011023	12	ChEMBL_163476 (CHEMBL772311)	Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-beta
50011023	4	ChEMBL_164850 (CHEMBL769008)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50011023	6	ChEMBL_164861 (CHEMBL772120)	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta
50011023	2	ChEMBL_164860 (CHEMBL772119)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta
50011023	1	ChEMBL_163479 (CHEMBL772314)	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma
50011023	8	ChEMBL_164862 (CHEMBL772121)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50011023	5	ChEMBL_164851 (CHEMBL769009)	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha
50011023	11	ChEMBL_163475 (CHEMBL772310)	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta
50011023	7	ChEMBL_163480 (CHEMBL772393)	Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-gamma
50011023	10	ChEMBL_163472 (CHEMBL772307)	Inhibition of [3H]ATRA binding to baculovirus expressed retinoic acid receptor RAR-alpha
50011023	3	ChEMBL_164863 (CHEMBL772122)	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-gamma
50011023	9	ChEMBL_163471 (CHEMBL772306)	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR alpha
50034019	782	ChEMBL_774282 (CHEMBL1908499)	Binding constant for PIM3 kinase domain
50034019	783	ChEMBL_774326 (CHEMBL1908543)	Binding constant for CSNK1A1 kinase domain
50034019	784	ChEMBL_774535 (CHEMBL1908752)	Binding constant for MST1 kinase domain
50011027	1	ChEMBL_104539 (CHEMBL718926)	Inhibitory constant against matrix metalloprotease-2
50011027	2	ChEMBL_106153 (CHEMBL718849)	Inhibitory constant against matrix metalloprotease-1
50011027	3	ChEMBL_104874 (CHEMBL708551)	Inhibitory constant against matrix metalloprotease-3
50011028	2	ChEMBL_143298 (CHEMBL872841)	Inhibitory activity tested against Human Neuropeptide Y5 Receptor.
50011028	1	ChEMBL_143296 (CHEMBL748122)	Inhibitory activity tested against Human Neuropeptide Y1 Receptor.
50011028	3	ChEMBL_143297 (CHEMBL749564)	Inhibitory activity tested against Human Neuropeptide Y2 Receptor.
50011028	4	ChEMBL_143299 (CHEMBL753002)	Tested in a cellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor
50023584	4	ChEMBL_509260 (CHEMBL996004)	Inhibition calf thymus gland topoisomerase 1 assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	3	ChEMBL_509261 (CHEMBL996005)	Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	10	ChEMBL_509262 (CHEMBL996006)	Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	11	ChEMBL_509263 (CHEMBL996007)	Inhibition topoisomerase 1 in human A549 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	7	ChEMBL_509264 (CHEMBL996008)	Inhibition topoisomerase 1 in human COLO201 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	9	ChEMBL_509265 (CHEMBL996009)	Inhibition topoisomerase 1 in human HeLa cells assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	16	ChEMBL_509266 (CHEMBL996010)	Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form
50023584	18	ChEMBL_509267 (CHEMBL996011)	Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer
50023584	12	ChEMBL_509268 (CHEMBL996012)	Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration
50023584	14	ChEMBL_509269 (CHEMBL996013)	Inhibition of bovine pancreas DNase 1 assessed as undigested supercoiled pBR322 DNA concentration
50023584	1	ChEMBL_509270 (CHEMBL996014)	Inhibition of porcine spleen DNase 2 assessed as undigested supercoiled pBR322 DNA concentration
50023584	2	ChEMBL_509271 (CHEMBL996015)	Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNA
50023584	13	ChEMBL_509274 (CHEMBL996018)	Inhibition of Bacillus amyloliquifaction Bam H1 assessed as undigested supercoiled pBR322 DNA concentration
50023584	15	ChEMBL_509275 (CHEMBL996019)	Inhibition of Escherichia coli Eco R1 assessed as undigested supercoiled pBR322 DNA concentration
50023584	17	ChEMBL_509276 (CHEMBL996020)	Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration
50023584	6	ChEMBL_509277 (CHEMBL996021)	Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration
50023584	8	ChEMBL_504717 (CHEMBL990277)	Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration
50023584	5	ChEMBL_504718 (CHEMBL990278)	Inhibition of telomerase from human COLO201 cell
50011034	1	ChEMBL_46317 (CHEMBL663461)	Inhibition of rat liver mitochondrial carnitine palmitoyltransferase 1 using [14C]palmitoyl-CoA radioligand
50011034	2	ChEMBL_46323 (CHEMBL660891)	Inhibitory activity against rat heart mitochondrial carnitine palmitoyltransferase 1b using [14C]palmitoyl-CoA as radioligand
50011035	4	ChEMBL_149485 (CHEMBL758076)	Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor
50011035	1	ChEMBL_147230 (CHEMBL754918)	Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1
50034019	785	ChEMBL_774306 (CHEMBL1908523)	Binding constant for BMPR2 kinase domain
50034019	786	ChEMBL_774298 (CHEMBL1908515)	Binding constant for ULK3 kinase domain
50011036	2	ChEMBL_52988 (CHEMBL665257)	Inhibitory concentration against dihydrofolate reductase dihydrofolate reductase from Pneumocystis carinii.
50011036	3	ChEMBL_53472 (CHEMBL665597)	Inhibitory concentration against dihydrofolate reductase DHFR from Toxoplasma gondii
50011036	1	ChEMBL_55126 (CHEMBL665452)	Inhibitory concentration against dihydrofolate reductase DHFR from rat liver.
50011037	3	ChEMBL_216134 (CHEMBL816954)	Binding affinity towards human cloned alpha-1D-adrenoceptor using [3H]prazosin as radioligand
50011037	2	ChEMBL_216132 (CHEMBL816952)	Binding affinity towards human cloned alpha-1B-adrenoceptor using [3H]prazosin as radioligand
50011037	1	ChEMBL_929 (CHEMBL615777)	Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50011037	4	ChEMBL_216130 (CHEMBL816950)	Binding affinity towards human cloned alpha-1A-adrenoceptor using [3H]prazosin as radioligand
50034019	787	ChEMBL_774371 (CHEMBL1908588)	Binding constant for JNK3 kinase domain
50034019	788	ChEMBL_774503 (CHEMBL1908720)	Binding constant for HIPK3 kinase domain
50011049	5	ChEBML_104714	In vitro inhibitory concentration against Matrix metalloprotease-3
50011049	3	ChEBML_105967	In vitro inhibitory concentration against Matrix metalloprotease-1
50011049	1	ChEBML_105033	In vitro inhibitory concentration against Matrix metalloprotease-7
50011049	4	ChEBML_104370	In vitro inhibitory concentration against Matrix metalloprotease-2
50011056	6	ChEMBL_214766 (CHEMBL816224)	Concentration required to reduce binding of Kistrin to Vitronectin receptor (alpha V beta 3) by 50%
50011057	3	ChEBML_29638	Displacement of [3H]DPCPX from Adenosine A1 receptor of rat cortical membrane
50011057	1	ChEBML_29903	Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells
50011057	2	ChEBML_30141	Displacement of [3H]ZM-241385 from A2A receptor in rat striatal membrane
50011059	1	ChEBML_158304	Compound was evaluated for its competitive binding affinity towards human Prostanoid EP2 receptor in CHO cells expressing prostanoid receptor
50011060	4	ChEBML_158310	Evaluated for its competitive binding affinity towards mouse Prostanoid EP2 receptor in CHO cells expressing prostanoid receptor
50011060	5	ChEBML_158324	Evaluated for its competitive binding affinity towards mouse Prostanoid EP3 receptor in CHO cells expressing prostanoid receptor
50011060	6	ChEBML_158180	Evaluated for its competitive binding affinity towards mouse Prostanoid EP1 receptor in CHO cells expressing prostanoid receptor
50011060	2	ChEBML_158450	Evaluated for its competitive binding affinity towards mouse Prostanoid EP4 receptor in CHO cells expressing prostanoid receptor
50011060	1	ChEBML_158468	Evaluated for its competitive binding affinity towards human Prostanoid IP receptor in CHO cells
50011061	1	ChEBML_158469	Affinity for human Prostanoid IP receptor expressed in CHO cells
50011061	6	ChEBML_158295	Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells
50034019	789	ChEMBL_774431 (CHEMBL1908648)	Binding constant for EPHA2 kinase domain
50011061	11	ChEMBL_158311 (CHEMBL763368)	Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells
50011063	5	ChEBML_213158	Inhibitory activity against urokinase-type plasminogen activator (microPa) in human plasma
50011063	4	ChEBML_212862	Inhibitory activity against trypsin in human plasma
50011063	2	ChEBML_155251	Inhibitory activity against plasmin in human plasma
50011063	1	ChEBML_48813	Inhibitory activity against Coagulation factor X in human plasma
50011063	3	ChEBML_208509	Inhibitory activity against thrombin(fIIa) in human plasma
50011065	1	ChEBML_162514	Ability to displace [3H]2-MeS-ADP from human Purinergic receptor P2Y12
50011067	1	ChEBML_70446	In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM
50011067	5	ChEMBL_71957 (CHEMBL686122)	In vitro inhibitory activity to reduce the human geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras-derived peptide
50048505	1	ChEMBL_141300 (CHEMBL748915)	Inhibitory activity against human N-myristoyltransferase (HsNmt)
50048505	2	ChEMBL_39017 (CHEMBL652670)	Compound was evaluated for its Beta adrenergic receptor blocking action
50011068	1	ChEBML_213807	Ability to inhibit expression of Vascular cell adhesion molecule 1
50034019	790	ChEMBL_774579 (CHEMBL1908796)	Binding constant for TAOK2 kinase domain
50011078	1	ChEBML_201982	In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes
50011078	4	ChEMBL_201981 (CHEMBL809426)	In vitro binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes by [3H]citalopram displacement.
50011079	1	ChEBML_72490	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA
50034019	791	ChEMBL_774222 (CHEMBL1908439)	Binding constant for NEK5 kinase domain
50034019	792	ChEMBL_774229 (CHEMBL1908446)	Binding constant for CASK kinase domain
50034019	793	ChEMBL_774555 (CHEMBL1908772)	Binding constant for INSRR kinase domain
50034019	794	ChEMBL_774495 (CHEMBL1908712)	Binding constant for ROCK1 kinase domain
50034019	795	ChEMBL_774226 (CHEMBL1908443)	Binding constant for WEE2 kinase domain
50034019	796	ChEMBL_774398 (CHEMBL1908615)	Binding constant for DYRK2 kinase domain
50011087	1	ChEBML_156211	Inhibitory activity against human lipoprotein associated phospholipase A2 (Lp-PLA2)
50011089	2	ChEBML_162250	Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B
50011089	1	ChEMBL_162251 (CHEMBL770118)	Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B
50011090	2	ChEBML_67823	Ability to displace [3H]17-beta-estradiol from Estrogen receptor beta by scintillation proximity assay.
50011090	1	ChEBML_67512	Ability to displace [3H]17-beta-estradiol from Estrogen receptor alpha by scintillation proximity assay.
50034019	797	ChEMBL_774599 (CHEMBL1908816)	Binding constant for CAMK1G kinase domain
50011092	2	ChEBML_39662	Compound binding was evaluated using an SPA assay with recombinant human [125I]IL-8 and membranes prepared from Sf9 cells expressing human C-X-C chemokine receptor type 2
50011092	1	ChEMBL_39662 (CHEMBL650907)	Compound binding was evaluated using an SPA assay with recombinant human [125I]IL-8 and membranes prepared from Sf9 cells expressing human C-X-C chemokine receptor type 2
50034019	798	ChEMBL_774558 (CHEMBL1908775)	Binding constant for SRPK3 kinase domain
50034019	799	ChEMBL_774547 (CHEMBL1908764)	Binding constant for NDR1 kinase domain
50011094	1	ChEBML_34460	In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor
50011094	2	ChEBML_33742	In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor
50011094	3	ChEBML_32454	In vitro binding affinity towards cloned human Alpha-1D adrenergic receptor
50011096	1	ChEMBL_71709 (CHEMBL680923)	Inhibitory activity against expressed rat Glutamate carboxypeptidase II, using a substrate concentration of 5 uM
50011096	2	ChEMBL_71710 (CHEMBL680924)	Inhibitory activity against expressed rat Glutamate carboxypeptidase IIusing a substrate concentration of 5 uM
50034019	800	ChEMBL_774331 (CHEMBL1908548)	Binding constant for ERBB3 kinase domain
50034019	801	ChEMBL_774514 (CHEMBL1908731)	Binding constant for PDGFRA kinase domain
50034019	802	ChEMBL_774357 (CHEMBL1908574)	Binding constant for PIK3C2B kinase domain
50034019	803	ChEMBL_774362 (CHEMBL1908579)	Binding constant for PKAC-beta kinase domain
50011101	4	ChEMBL_147891 (CHEMBL884926)	Inhibition of 10 nM 2-MeS-ADP-stimulated phospholipase C in turkey erythrocyte membranes using [3H]inositol
50011101	1	ChEMBL_147552 (CHEMBL751122)	Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes
50011101	12	ChEMBL_147557 (CHEMBL751127)	Inhibition of inward ion current elicited by ATP at rat P2X4 receptor (wild type)
50011101	8	ChEMBL_147547 (CHEMBL754874)	Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes
50011101	2	ChEMBL_147550 (CHEMBL754947)	Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes
50011101	7	ChEMBL_147431 (CHEMBL754463)	Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes
50011101	5	ChEMBL_147558 (CHEMBL751128)	Inhibition of inward ion current elicited by ATP at rat P2X6 receptor (mutant type)
50011101	11	ChEMBL_147556 (CHEMBL751126)	Inhibition of inward ion current elicited by ATP at rat P2X4 receptor (mutant type)
50011101	3	ChEMBL_147892 (CHEMBL874638)	Inhibition of 10 nM 2-MeS-ADP-stimulated phospholipase C in turkey erythrocyte membrane
50011101	9	ChEMBL_147554 (CHEMBL751124)	Inhibition of inward ion current elicited by ATP at human P2X4 receptor (mutant type)
50011101	10	ChEMBL_147555 (CHEMBL751125)	Inhibition of inward ion current elicited by ATP at mouse P2X4 receptor (mutant type)
50011101	6	ChEMBL_147559 (CHEMBL751758)	Inhibition of inward ion current elicited by ATP at rat P2X6 receptor (wild type)
50011102	2	ChEMBL_159899 (CHEMBL766727)	Inhibition of Prostaglandin G/H synthase 2 in 143.98.2 from human osteosarcoma cells
50011104	1	ChEMBL_61606 (CHEMBL675928)	Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.
50011107	12	ChEMBL_1160 (CHEMBL616105)	Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]8-OH-DPAT as radioligand
50011107	5	ChEMBL_201964 (CHEMBL882257)	Binding affinity towards Serotonin transporter from rat cortex measured using [3H]paroxetine
50011107	3	ChEMBL_62090 (CHEMBL674970)	Affinity at dopamine D2 receptor, (For haloperidol Ki(nM)= 1.5+/-1.2)
50011107	16	ChEMBL_1623 (CHEMBL616509)	Affinity at 5-hydroxytryptamine 1D receptor (For sumatriptan = Ki (nM)-12+/-1.9)
50011107	15	ChEMBL_1624 (CHEMBL616510)	Affinity at 5-hydroxytryptamine 1D receptor from calf caudate using [3H]5-HT as radioligand (For sumatriptan = Ki(nM)-12+/-1.9)
50011107	10	ChEMBL_2206 (CHEMBL617031)	Affinity at 5-hydroxytryptamine 2 receptor from rat frontal cortex using [3H]ketanserin as radioligand (For ketanserin = Ki(nM)=0.7+/-0.09)
50011107	2	ChEMBL_62089 (CHEMBL670518)	Affinity at dopamine D2 receptor from rat striatum using [3H]spiroperidol as radioligand (For haloperidol Ki(nM)= 1.5+/-1.2)
50011107	17	ChEMBL_3140 (CHEMBL617982)	Affinity at 5-hydroxytryptamine 3 receptor from rat frontal cortex using [3H]granisetron as radioligand (For granisetron = Ki(nM)=0.3+/-0.01)
50011107	14	ChEMBL_3141 (CHEMBL617983)	Affinity at 5-hydroxytryptamine 3 receptor (For granisetron = Ki (nM)=0.3+/-0.01)
50011107	11	ChEMBL_2205 (CHEMBL617030)	Affinity at 5-hydroxytryptamine 2 receptor (For ketanserin = Ki(nM)= 0.7+/-0.09)
50011108	1	ChEMBL_225807 (CHEMBL845247)	Inhibition of bovine tubulin polymerization
50011108	3	ChEMBL_66895 (CHEMBL675519)	Inhibition of epidermal growth factor receptor phosphorylation in BaF3 mouse lymphoid cells.
50011108	2	ChEMBL_206827 (CHEMBL808353)	In vitro inhibition of Syk protein tyrosine kinase
50034019	804	ChEMBL_774499 (CHEMBL1908716)	Binding constant for AKT3 kinase domain
50034019	805	ChEMBL_774409 (CHEMBL1908626)	Binding constant for BRSK2 kinase domain
50034019	806	ChEMBL_774527 (CHEMBL1908744)	Binding constant for AMPK-alpha2 kinase domain
50011117	3	ChEBML_53336	Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.
50011117	5	ChEMBL_54973 (CHEMBL666702)	Inhibitory activity against dihydrofolate reductase DHFR in rat liver
50011117	4	ChEBML_55104	Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium
50011117	1	ChEBML_54973	Inhibitory activity against dihydrofolate reductase DHFR in rat liver
50011117	6	ChEMBL_53336 (CHEMBL664922)	Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.
50012950	2	ChEMBL_78728 (CHEMBL692129)	Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor
50012950	10	ChEMBL_152353 (CHEMBL757205)	Inhibition of concanavalin A stimulated T-cell proliferation in human PBMCs
50012950	11	ChEMBL_44331 (CHEMBL654087)	Transcriptional activation in CV-1 cells expressing human glucocorticoid receptor
50012950	3	ChEMBL_71398 (CHEMBL874034)	Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]dexamethasone as radioligand in SF-1 cells
50011118	1	ChEMBL_66880 (CHEMBL676071)	Dissociation constant for peptide inhibitor binding to HER2 receptor
50034019	807	ChEMBL_774351 (CHEMBL1908568)	Binding constant for PAK1 kinase domain
50034019	808	ChEMBL_774511 (CHEMBL1908728)	Binding constant for MRCKB kinase domain
50034019	809	ChEMBL_774375 (CHEMBL1908592)	Binding constant for MEK6 kinase domain
50034019	810	ChEMBL_774249 (CHEMBL1908466)	Binding constant for AURKC kinase domain
50034019	811	ChEMBL_774194 (CHEMBL1908411)	Binding constant for p38-alpha kinase domain
50034019	812	ChEMBL_774406 (CHEMBL1908623)	Binding constant for RIOK3 kinase domain
50011130	1	ChEMBL_67847 (CHEMBL681339)	Inhibition of estrogen sulfotransferase (EST) in TLC radiolabel transfer assay
50011130	2	ChEMBL_67846 (CHEMBL681338)	Inhibition of estrogen sulfotransferase (EST) in TLC radiolabel transfer assay
50011132	4	ChEMBL_62123 (CHEMBL673444)	Binding affinity against dopamine receptor D3 using radioligand [3H]spiperone
50011132	6	ChEMBL_61808 (CHEMBL672572)	Binding affinity against dopamine receptor D2S using radioligand [3H]spiperone
50011132	1	ChEMBL_60329 (CHEMBL675112)	Binding affinity against dopamine receptor D1 using radioligand [3H]-SCH- 23390
50011132	2	ChEMBL_61178 (CHEMBL670992)	Binding affinity against human dopamine receptor D4.4 using radioligand [3H]spiperone
50034019	813	ChEMBL_774596 (CHEMBL1908813)	Binding constant for ADCK3 kinase domain
50011132	5	ChEMBL_60328 (CHEMBL675111)	Binding affinity against bovine dopamine receptor D1 using radioligand [3H]-SCH- 23390
50011132	3	ChEMBL_61480 (CHEMBL672382)	Binding affinity against dopamine receptor D2L using radioligand [3H]-spiperone
50011136	2	ChEMBL_27594 (CHEMBL644314)	Displacement of [3H]DPCPX from human Adenosine A1 receptor in CHO cells
50011136	1	ChEMBL_31495 (CHEMBL647480)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells
50011136	4	ChEMBL_32013 (CHEMBL646610)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in CHO cells
50011136	3	ChEMBL_30423 (CHEMBL645977)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells
50011138	7	ChEMBL_48667 (CHEMBL658338)	Binding affinity against human coagulation factor X
50011138	11	ChEMBL_212851 (CHEMBL817959)	Compound was tested against Human Serine Protease Trypsin
50011138	5	ChEMBL_225383 (CHEMBL847817)	Inhibition of Human Serine Protease tissue type Plasminogen Activator
50011138	2	ChEMBL_155260 (CHEMBL764412)	Inhibition of Human Serine Protease Plasmin
50011138	6	ChEMBL_155240 (CHEMBL764730)	Inhibition of Human Serine Protease Plasmin.
50011138	9	ChEMBL_226004 (CHEMBL842145)	ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).
50011138	12	ChEMBL_208347 (CHEMBL813657)	Inhibition of Human Serine Protease Thrombin.
50011138	10	ChEMBL_212739 (CHEMBL816557)	Inhibition of Human Serine Protease Trypsin.
50011138	8	ChEMBL_226005 (CHEMBL842146)	Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator
50011138	4	ChEMBL_225382 (CHEMBL847816)	Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).
50011138	3	ChEMBL_212881 (CHEMBL824709)	Activity against Human Serine Protease Trypsin
50011138	1	ChEMBL_208550 (CHEMBL814319)	Activity against Human Serine Protease Thrombin
50034019	814	ChEMBL_774580 (CHEMBL1908797)	Binding constant for NLK kinase domain
50034019	815	ChEMBL_774230 (CHEMBL1908447)	Binding constant for PRP4 kinase domain
50034019	816	ChEMBL_774354 (CHEMBL1908571)	Binding constant for PCTK3 kinase domain
50011145	1	ChEMBL_153305 (CHEMBL761982)	Ability to inhibit phenylethanolamine N-methyl-transferase (PNMT)
50034019	817	ChEMBL_774197 (CHEMBL1908414)	Binding constant for JNK2 kinase domain
50034019	818	ChEMBL_774475 (CHEMBL1908692)	Binding constant for CSF1R kinase domain
50034019	819	ChEMBL_774403 (CHEMBL1908620)	Binding constant for MAPKAPK5 kinase domain
50034019	820	ChEMBL_774246 (CHEMBL1908463)	Binding constant for p38-gamma kinase domain
50011161	1	ChEMBL_3480 (CHEMBL619058)	Binding affinity against human 5-hydroxytryptamine 3A receptor
50011161	2	ChEBML_3480	Binding affinity against human 5-hydroxytryptamine 3A receptor
50011163	4	ChEBML_39649	Inhibition of [125I]-labeled RANTES binding to C-C chemokine receptor type 5
50011163	2	ChEMBL_39650 (CHEMBL649955)	Ability to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5 expressed in membrane preparation of CHO cells
50011163	3	ChEBML_138180	Affinity for Muscarinic acetylcholine receptor M2
50011163	1	ChEMBL_39642 (CHEMBL649948)	Ability to inhibit [125I]-labeled RANTES binding to C-C chemokine receptor type 5
50011164	9	ChEBML_105944	Inhibition of Matrix metalloprotease-1
50011164	6	ChEMBL_104569 (CHEMBL714852)	Inhibition of Matrix metalloprotease-3
50011164	2	ChEBML_207455	Inhibition of TNF-alpha converting enzyme (TACE)
50011164	8	ChEMBL_104901 (CHEMBL713437)	Inhibition of Matrix metalloprotease-3
50011164	1	ChEBML_104901	Inhibition of Matrix metalloprotease-3
50011164	4	ChEMBL_106320 (CHEMBL714732)	Inhibition of Matrix metalloprotease-1
50011164	5	ChEMBL_207455 (CHEMBL817436)	Inhibition of TNF-alpha converting enzyme (TACE)
50011167	1	ChEBML_71686	Compound was evaluated for inhibition of Glucose-6-Phosphatase from Triton X-100 disrupted pig liver microsomes.
50011168	5	ChEBML_143338	Evaluated for in vitro inhibition of recombinant rat NR1C/2B receptor expressed in xenopus oocytes
50011168	2	ChEBML_33438	In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand
50011168	1	ChEBML_143336	Evaluated for in vitro inhibition of recombinant rat NR1C/2A receptor expressed in xenopus oocytes
50011169	1	ChEMBL_41906 (CHEMBL655697)	Binding affinity for C-C chemokine receptor type 2B was determined
50034019	821	ChEMBL_774537 (CHEMBL1908754)	Binding constant for TYRO3 kinase domain
50011176	1	ChEBML_148886	Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)
50011179	2	ChEMBL_162608 (CHEMBL771320)	Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)
50011179	1	ChEMBL_162609 (CHEMBL771321)	Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)
50011180	4	ChEMBL_36280 (CHEMBL651954)	Binding affinity for androgen receptor
50011180	1	ChEMBL_223461 (CHEMBL844873)	Binding affinity for progesterone receptor
50011180	3	ChEMBL_50717 (CHEMBL666796)	Glucocorticoid-induced aromatase activity in human skin fibroblasts
50011180	2	ChEMBL_199711 (CHEMBL802067)	Transcriptional repression activity in HEP G2 cells expressing glucocorticoid receptor compared to Dexamethasone
50011180	11	ChEMBL_89092 (CHEMBL696546)	Repression activity of GR ligand with interleukin-6 receptor in native cell assay using Dexamethasone was determined as maximal potency
50011180	13	ChEMBL_222673 (CHEMBL844554)	Binding affinity for mineralocorticoid receptor
50011180	5	ChEMBL_199710 (CHEMBL802066)	Transcriptional repression of IL-1 stimulated IL-6 expression in native cells compared to Dexamethasone
50011180	12	ChEMBL_181679 (CHEMBL786453)	Binding affinity for glucocorticoid receptor
50011180	10	ChEMBL_71255 (CHEMBL685249)	Transcriptional activation in CV-1 cells expressing glucocorticoid receptor
50011180	9	ChEMBL_71404 (CHEMBL680190)	Binding affinity for glucocorticoid receptor
50011180	7	ChEMBL_71405 (CHEMBL680191)	Displacement of [3H]- Dexamethasone from glucocorticoid receptor
50011181	1	ChEMBL_70755 (CHEMBL682842)	Inhibitory activity against farnesyltransferase.
50011183	1	ChEMBL_178776 (CHEMBL783622)	Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)
50011184	2	ChEMBL_159919 (CHEMBL769645)	Inhibitory concentration against Prostaglandin G/H synthase 2
50011185	1	ChEMBL_72108 (CHEMBL683552)	Inhibitory concentration of geranylgeranyl-protein transferase type I
50011185	3	ChEMBL_69997 (CHEMBL681470)	In vitro inhibition of farnesyl transferase using purified recombinant human enzyme
50011185	2	ChEMBL_69996 (CHEMBL681469)	Concentration required to displace 50% of a potent radiolabeled FTI from farnesyl transferase in cultured H-ras-transformed Rat1 cells
50011194	1	ChEMBL_145032 (CHEMBL753726)	Ability to inhibit OT-induced inositol phosphate accumulation was determined in CHO cells expressing the human OT receptor
50011194	3	ChEMBL_145034 (CHEMBL753728)	Binding affinity towards OT receptor in CHO cells expressing the human OT receptor
50011194	2	ChEMBL_145033 (CHEMBL753727)	Dissociation constant value for human OT-receptor
50011195	1	ChEMBL_5167 (CHEMBL884002)	Inhibition of EGF-induced Tyrosine phosphorylation in A431 cells expressing EGF-R
50011196	1	ChEMBL_158001 (CHEMBL767760)	Inhibitory concentration against Prostaglandin G/H synthase 2
50011201	4	ChEBML_48794	Binding affinity towards Coagulation factor X
50011201	7	ChEBML_69534	Binding affinity towards factor VIIa/TF was determined
50011201	8	ChEMBL_69535 (CHEMBL680624)	Binding affinity for factor VIIa/TF
50011201	2	ChEBML_48297	Binding affinity towards Coagulation factor II
50011201	1	ChEBML_213155	Binding affinity towards urokinase-type plasminogen activator (microPa)
50011201	6	ChEBML_155233	Binding affinity towards Plasmin
50011201	5	ChEBML_212731	Binding affinity towards Trypsin
50011203	2	ChEBML_208865	In vitro inhibitory activity against thrombin
50011203	3	ChEBML_213040	In vitro inhibitory activity against trypsin
50011203	1	ChEBML_48973	In vitro inhibitory activity against coagulation factor X
50011204	1	ChEBML_140799	Binding affinity towards human neuropeptide Y receptor type 5 in HEK 293 cell line, using [125I]PYY as radioligand
50011204	2	ChEMBL_143985 (CHEMBL750823)	Binding affinity against human Neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]PYY as radioligand
50011205	2	ChEBML_140800	Binding affinity towards human neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]PYY as radioligand
50011205	1	ChEMBL_140800 (CHEMBL752047)	Binding affinity towards human neuropeptide Y receptor type 5 in HEK 293 cell line by using [125I]PYY as radioligand
50011207	2	ChEBML_31692	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cell membranes
50011210	2	ChEBML_139750	Antagonistic activity against Muscarinic acetylcholine receptor M2
50011210	1	ChEMBL_139752 (CHEMBL745193)	Antagonistic activity against muscarinic acetylcholine receptor M2
50011211	2	ChEBML_217596	Inhibition of binding to Yes SH2 domain
50011211	3	ChEBML_217759	Inhibition of binding to Zap70 protein kinase
50011211	1	ChEBML_202595	Inhibition of binding to Src SH2 domain
50011214	1	ChEBML_211858	Compound was evaluated for inhibition of tubulin polymerization
50011215	2	ChEBML_1543	Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-DPAT as radioligand
50011215	1	ChEBML_61118	Binding affinity for dopamine receptor D2 determined using [3H]spiperone
50011219	1	ChEBML_200016	Inhibitory activity of compound against Selectin P/sLex binding was determined
50011223	3	ChEBML_153239	Agonist activity against human Peroxisome proliferator activated receptor alpha was determined
50011223	7	ChEBML_154050	Agonist activity against human peroxisome proliferator activated receptor gamma was determined
50011223	6	ChEMBL_154049 (CHEMBL760854)	Agonist activity against human peroxisome proliferator activated receptor gamma in CV-1 cell was determined
50011223	2	ChEMBL_154050 (CHEMBL760855)	Agonist activity against human peroxisome proliferator activated receptor gamma was determined
50011223	4	ChEMBL_153239 (CHEMBL764651)	Agonist activity against human Peroxisome proliferator activated receptor alpha was determined
50011232	4	ChEMBL_104709 (CHEMBL709522)	In vitro inhibitory activity against matrix metalloprotease-3
50011232	3	ChEMBL_105957 (CHEMBL715370)	In vitro inhibition of human matrix metalloprotease-1
50011232	2	ChEMBL_106474 (CHEMBL719144)	In vitro inhibition of human matrix metalloprotease-13
50011232	1	ChEMBL_104365 (CHEMBL716609)	In vitro inhibition of human matrix metalloprotease-2
50011233	2	ChEMBL_104730 (CHEMBL710731)	Inhibition of matrix metalloprotease-3
50011233	1	ChEMBL_104375 (CHEMBL715836)	Inhibition of matrix metalloprotease-2
50011233	3	ChEMBL_105958 (CHEMBL715371)	Inhibition of human matrix metalloprotease-1
50011233	4	ChEMBL_106482 (CHEMBL716175)	Inhibition of matrix metalloprotease-13
50011236	1	ChEMBL_70756 (CHEMBL682843)	Inhibitory activity against yeast farnesyltransferase
50011239	2	ChEMBL_72866 (CHEMBL683962)	Binding affinity for human Glucagon Receptor
50011239	1	ChEMBL_72867 (CHEMBL684118)	Binding affinity towards human Glucagon Receptor by the displacement of [125I]-glucagon
50011239	3	ChEMBL_73015 (CHEMBL681694)	Binding affinity towards rat Glucagon Receptor
50011245	1	ChEBML_31126	In vitro inhibition of Adenosine kinase of rat brain cytosol.
50011246	4	ChEMBL_216785 (CHEMBL817061)	Difference between inhibition of alpha-chymotrypsin by the UV light and inhibition of alpha-chymotrypsin by the ambient light
50011252	2	ChEBML_49701	Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells
50011252	1	ChEMBL_49703 (CHEMBL661606)	Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells; completely inactive
50011258	1	ChEBML_211023	Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase
50011262	3	ChEBML_67826	Displacement of [3H]estradiol from Estrogen receptor beta
50011262	1	ChEMBL_67822 (CHEMBL677052)	Inhibitory activity against Estrogen receptor beta
50011262	2	ChEBML_67517	Displacement of [3H]estradiol from Estrogen receptor alpha
50011264	1	ChEBML_29103	Displacement of [3H]CHA from Adenosine A1 receptor in bovine cortical membrane expressed as Ki
50011264	2	ChEBML_31045	Displacement of [3H]CGS-21680 binding at A2A adenosine receptor in bovine striatal membrane
50011270	2	ChEBML_200170	Inhibitory activity against bovine plasma semicarbazide-sensitive amine oxidase (SSAO)
50011270	1	ChEMBL_200171 (CHEMBL810015)	Inhibitory activity against porcine kidney amine oxidase
50011271	1	ChEBML_86647	Inhibition of cytosolic phospholipase A2 by measuring the calcium ionophore A-23,187-induced arachidonic acid release from human platelets.
50011273	1	ChEBML_210074	Inhibitory activity against telomerase extracted from HCT 116 cell lines
50011274	6	ChEBML_105056	Inhibition of Matrix metalloprotease-7
50011274	5	ChEBML_106445	Inhibition of human Matrix metalloprotease-1
50011274	4	ChEBML_35987	Compound was tested for its inhibitory activity against Angiotensin I converting enzyme
50011274	3	ChEBML_104547	Inhibition of Matrix metalloprotease-2
50011274	7	ChEBML_104889	Inhibition of Matrix metalloprotease-3
50011274	2	ChEBML_144638	The compound was evaluated in vitro for the inhibition of Neutral endopeptidase
50011274	1	ChEBML_154176	Antibacterial activity against Escherichia coli Peptide deformylase. Ni
50011280	1	ChEBML_43500	Inhibition of human recombinant Calpain 1
50011281	4	ChEMBL_70166 (CHEMBL683386)	Inhibition of biotinylated fibrinogen binding to immobilized integrin GPIIb/IIIa
50011281	3	ChEMBL_90021 (CHEMBL699520)	Inhibition of thrombin-induced human gel-filtered platelet aggregation
50011286	1	ChEMBL_43475 (CHEMBL659377)	Compound was tested for its inhibitory activity against calpain isolated from Streptomyces species
50011286	2	ChEBML_43475	Compound was tested for its inhibitory activity against calpain isolated from Streptomyces species
50011287	3	ChEBML_89196	Inhibition of inducible nitric oxide synthase
50011287	1	ChEBML_143360	Inhibitory activity against Neuronal nitric oxide synthase at 100 uM concentration was determined
50011287	4	ChEBML_65299	Inhibition of endothelial nitric oxide synthase
50011287	2	ChEMBL_143360 (CHEMBL751654)	Inhibitory activity against Neuronal nitric oxide synthase at 100 uM concentration was determined
50011288	1	ChEBML_72477	Inhibitory concentration against human Glutathione reductase was determined
50011288	2	ChEBML_211812	Inhibitory concentration against trypanothione reductase was determined
50011292	3	ChEMBL_49038 (CHEMBL662076)	Inhibitory activity against cell division cycle 25B
50011292	1	ChEMBL_214524 (CHEMBL819516)	Inhibitory activity against vaccinia VH1-related phosphatase (VHR)
50011294	8	ChEMBL_106137 (CHEMBL718684)	In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-1
50011294	9	ChEMBL_104405 (CHEMBL715008)	In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-2
50011294	4	ChEMBL_106610 (CHEMBL717447)	In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-13
50011294	3	ChEMBL_105197 (CHEMBL713836)	Inhibitory activity against matrix metalloprotease-8
50011294	7	ChEMBL_106458 (CHEMBL719130)	In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-12
50011298	1	ChEMBL_2619 (CHEMBL621531)	Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand
50011298	3	ChEMBL_2821 (CHEMBL621507)	Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand
50011298	2	ChEMBL_2618 (CHEMBL621530)	Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]DOB as radioligand
50011300	2	ChEMBL_141046 (CHEMBL746894)	Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activity
50011300	3	ChEMBL_141051 (CHEMBL748619)	Compound is screened in AP1 cells expressing human NHE-5 for sodium hydrogen exchange activity
50011300	4	ChEMBL_141050 (CHEMBL748618)	Compound is screened in AP1 cells expressing human NHE-3 for sodium hydrogen exchange activity
50011300	1	ChEMBL_141048 (CHEMBL872728)	Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exchange activity
50011302	1	ChEMBL_31176 (CHEMBL641141)	Inhibition of hamster liver aldehyde dehydrogenase ALDH-2
50011304	1	ChEMBL_39638 (CHEMBL649944)	Inhibition of RANTES binding to C-C chemokine receptor type 5
50011305	1	ChEMBL_39651 (CHEMBL649956)	Binding affinity towards C-C chemokine receptor type 5
50011305	2	ChEMBL_39659 (CHEMBL650904)	Binding affinity towards C-C chemokine receptor type 5
50011305	5	ChEMBL_39644 (CHEMBL875064)	Inhibitory activity against C-C chemokine receptor type 5
50011305	3	ChEMBL_39658 (CHEMBL650903)	Binding affinity at C-C chemokine receptor type 5
50011305	4	ChEMBL_139756 (CHEMBL745197)	Binding affinity against muscarinic acetylcholine receptor M2
50011306	2	ChEMBL_106142 (CHEMBL718689)	Inhibition of matrix metalloprotease-1
50011306	4	ChEMBL_105198 (CHEMBL713837)	Inhibition of matrix metalloprotease-8
50011306	3	ChEMBL_104536 (CHEMBL718313)	Inhibition of matrix metalloprotease-2
50011307	10	ChEMBL_206141 (CHEMBL814098)	Inhibition of porcine TNF-alpha converting enzyme(pTACE).
50011307	11	ChEMBL_104869 (CHEMBL708546)	Inhibition of matrix metalloprotease-3
50011307	12	ChEMBL_106614 (CHEMBL717451)	Inhibition of matrix metalloprotease-13
50011307	3	ChEMBL_104537 (CHEMBL872559)	Inhibition of matrix metalloprotease-2
50011307	5	ChEMBL_106794 (CHEMBL718400)	Inhibition of matrix metalloprotease-15
50011307	9	ChEMBL_106450 (CHEMBL717834)	Inhibition of matrix metalloprotease-10
50011307	6	ChEMBL_105199 (CHEMBL713838)	Inhibition of matrix metalloprotease-8
50011307	13	ChEMBL_106459 (CHEMBL719131)	Inhibition of matrix metalloprotease-12
50011307	2	ChEMBL_106143 (CHEMBL718690)	Inhibition of matrix metalloprotease-1
50011307	8	ChEMBL_105054 (CHEMBL711568)	Inhibition of matrix metalloprotease-7
50011307	14	ChEMBL_106134 (CHEMBL718682)	Inhibition of human matrix metalloprotease-1
50011307	1	ChEMBL_106798 (CHEMBL718404)	Inhibition of matrix metalloprotease-16
50011308	3	ChEMBL_63684 (CHEMBL670642)	In vitro for specific binding of [125I]ET1 to GHcell expressed in Endothelin B receptor
50011308	5	ChEMBL_65802 (CHEMBL679705)	In vitro inhibition of [125I]ET1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells
50011308	1	ChEMBL_63352 (CHEMBL679117)	In vitro inhibition of [125I]ET1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells
50011308	4	ChEMBL_63521 (CHEMBL677269)	Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor
50011308	2	ChEMBL_63351 (CHEMBL679116)	In vitro for specific binding of [125I]ET1 to A10 cell expressed in endothelin A receptor
50011317	4	ChEMBL_89057 (CHEMBL698938)	Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells
50011317	10	ChEMBL_199699 (CHEMBL802927)	Inhibition of selectin E in human endothelial cells
50011317	17	ChEMBL_213809 (CHEMBL818854)	Inhibition of VCAM-1 in human endothelial cells
50011317	2	ChEMBL_199701 (CHEMBL803584)	In vitro inhibitory potency compared to IL1-beta induced Selectin E in human endothelial cells (ELISA assay)
50011317	11	ChEMBL_213813 (CHEMBL818858)	In vitro inhibitory potency compared to PMA induced VCAM-1 expression in human endothelial cells (ELISA assay)
50011317	5	ChEMBL_213816 (CHEMBL815899)	In vitro inhibitory potency compared to TNF-alpha induced VCAM-1 in human endothelial cells (ELISA assay)
50011317	12	ChEMBL_213814 (CHEMBL819003)	In vitro inhibitory potency compared to PMA induced VCAM-1 in human endothelial cells (ELISA assay)
50011317	15	ChEMBL_213810 (CHEMBL818855)	In vitro inhibitory potency against VCAM-1 receptor in human endothelial cells (ELISA assay)
50011317	18	ChEMBL_89061 (CHEMBL698941)	In vitro inhibitory potency compared to PMA induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)
50011317	20	ChEMBL_89063 (CHEMBL697202)	In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)
50011317	19	ChEMBL_89060 (CHEMBL698940)	In vitro inhibitory potency compared to PMA induced Intercellular adhesion molecule-1 expression in human endothelial cells (ELISA assay)
50011317	8	ChEMBL_213811 (CHEMBL818856)	In vitro inhibitory potency compared to IL1-beta induced VCAM-1 expression in human endothelial cells (ELISA assay)
50011317	6	ChEMBL_89058 (CHEMBL698939)	In vitro inhibitory potency compared to IL1-beta induced Intercellular adhesion molecule-1 expression in human endothelial cells (ELISA assay)
50011317	14	ChEMBL_199703 (CHEMBL803586)	In vitro inhibitory potency compared to TNF-alpha induced Selectin E in human endothelial cells (ELISA assay)
50011317	13	ChEMBL_199702 (CHEMBL803585)	In vitro inhibitory potency compared to TNF-alpha induced Selectin E expression in human endothelial cells (ELISA assay)
50011317	7	ChEMBL_89059 (CHEMBL877848)	In vitro inhibitory potency compared to IL1-beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)
50011317	9	ChEMBL_213812 (CHEMBL818857)	In vitro inhibitory potency compared to IL1-beta induced VCAM-1 in human endothelial cells (ELISA assay)
50011317	16	ChEMBL_89062 (CHEMBL697201)	In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 expression in human endothelial cells (ELISA assay)
50011317	1	ChEMBL_199700 (CHEMBL802928)	In vitro inhibitory potency compared to IL1-beta induced Selectin E expression in human endothelial cells (ELISA assay)
50011317	3	ChEMBL_213815 (CHEMBL873907)	In vitro inhibitory potency compared to TNF-alpha induced VCAM-1 expression in human endothelial cells (ELISA assay)
50011318	4	ChEMBL_43496 (CHEMBL877099)	Inhibitory activity towards human calpain I
50011318	3	ChEMBL_43655 (CHEMBL654081)	Inhibitory activity against calpain-I
50011318	1	ChEMBL_102842 (CHEMBL714770)	Inhibitory concentration against MOLT-4 cells (human T-cell leukemia cell line)
50011318	5	ChEMBL_43663 (CHEMBL656196)	Inhibitory activity towards human calpain I
50011318	2	ChEMBL_43497 (CHEMBL657768)	Compound was evaluated for inhibitory activity towards human calpain I isomer 1
50011326	2	ChEBML_159271	In vitro inhibitory concentration against rat prostaglandin G/H synthase 1
50011326	1	ChEBML_157858	In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2
50011327	1	ChEBML_209262	Binding affinity against platelet thrombin receptor
50011331	2	ChEBML_123926	In vitro ability to inhibit Monoamine oxidase B activity in rat whole brain in vitro
50011331	1	ChEBML_124429	In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro
50011331	3	ChEMBL_124429 (CHEMBL733092)	In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro
50011332	1	ChEBML_105987	Inhibition of Matrix metalloprotease-1
50011332	2	ChEBML_106603	Inhibition of Matrix metalloprotease-13
50011335	3	ChEMBL_200992 (CHEMBL801243)	Inhibitory concentration towards binding of sst2 receptor using [125I]somatostatin as radioligand in Neuro2A cells
50011337	1	ChEBML_39629	Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand expressed on CHO cells
50011351	1	ChEBML_41309	Inhibition of complement component 3a (C3a) binding to C3a receptor in human neutrophil based assay
50011352	1	ChEBML_210485	Binding affinity towards thyroid hormone receptor (hTR alpha 1)
50011352	2	ChEBML_210495	Binding affinity towards thyroid hormone receptor (hTR beta 1)
50011357	1	ChEBML_209270	Inhibitory concentration against potent thrombin receptor-1 (PAR-1) on human platelets
50011360	1	ChEBML_62292	In vitro ability to displace [3H]spiperone from human cloned Dopamine receptor D3 stably expressed in CHO cells.
50011360	6	ChEMBL_62292 (CHEMBL675215)	In vitro ability to displace [3H]spiperone from human cloned Dopamine receptor D3 stably expressed in CHO cells.
50011360	2	ChEBML_60340	In vitro ability to displace [3H]SCH-23390 from bovine cloned Dopamine receptor D1 stably expressed in CHO cells.
50011361	11	ChEBML_89138	Inhibition of JNK1 kinase
50011361	10	ChEBML_216729	Inhibition of cdc2 kinase
50011361	4	ChEMBL_91767 (CHEMBL701016)	Inhibition of JNK 2 beta-2 kinase
50011361	9	ChEBML_65273	Inhibition of ERK2 kinase
50011361	2	ChEBML_152977	Inhibition of PKC-beta2 kinase
50011361	12	ChEBML_217654	Inhibition of cRaf kinase
50011361	3	ChEBML_64451	Inhibition of EGFR kinase
50011361	7	ChEMBL_221157 (CHEMBL842192)	Inhibition of p38 alpha kinase
50011361	8	ChEBML_221305	Inhibition of p56 Lck kinase
50011361	5	ChEBML_91768	Inhibition of JNK2-beta-2 kinase
50011363	1	ChEBML_154686	Inhibition of Plasmodium falciparum cyclin dependent protein kinase (Pfmrk)
50011372	4	ChEMBL_51523 (CHEMBL660383)	Inhibitory effect on human recombinant liver cytochrome P450 2C19 expressed in yeast strain
50011372	2	ChEMBL_51527 (CHEMBL660387)	Inhibitory effect on human recombinant liver Cytochrome P450 2C8 expressed in yeast strain
50011372	5	ChEMBL_51520 (CHEMBL660380)	Inhibitory effect on human recombinant liver cytochrome P450 2C18 expressed in yeast strain
50011372	3	ChEMBL_44697 (CHEMBL659091)	Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain
50011372	1	ChEMBL_51545 (CHEMBL884338)	Inhibitory effect on human recombinant liver cytochrome P450 2C9 expressed in yeast strain
50011374	1	ChEMBL_71732 (CHEMBL680411)	Evaluated for gonadotropin-releasing hormone receptor binding by displacing the 50% of the bound tracer [125I][D-Lys6]-GnRH radioligand in rat pituitary receptors
50011376	1	ChEMBL_220873 (CHEMBL824629)	Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)
50011376	3	ChEMBL_220875 (CHEMBL824631)	Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5.
50011376	2	ChEMBL_220874 (CHEMBL824630)	Signal transduction efficacy in cAMP assay in CHO cells expressing human melanocortin receptor 5
50011382	1	ChEMBL_207477 (CHEMBL815867)	Effective concentration for thrombopoietin luciferase activity was determined in BAF-3 cells
50011389	4	ChEBML_104557	Inhibitory concentration against Matrix metalloprotease-2
50011389	3	ChEBML_106304	Inhibitory concentration against Matrix metalloprotease-1
50011389	1	ChEMBL_101935 (CHEMBL710564)	Inhibition against Matrix metalloprotease-2
50011394	5	ChEBML_49325	In vitro inhibition of human coagulation factor Xa.
50011394	1	ChEBML_208873	In vitro inhibition of human thrombin.
50011394	6	ChEBML_213047	In vitro inhibition of human trypsin.
50011394	4	ChEBML_155418	Inhibitory activity against plasmin
50011394	3	ChEMBL_48977 (CHEMBL663507)	Inhibitory activity against Coagulation factor X was determined
50011394	2	ChEBML_208038	Inhibitory activity against Tissue plasminogen activator
50011395	4	ChEMBL_48346 (CHEMBL663335)	Inhibitory activity against cathepsin K
50011395	3	ChEMBL_48345 (CHEMBL663334)	Inhibitory activity against Cathepsin K
50011395	2	ChEMBL_48341 (CHEMBL663330)	Inhibitory activity against Cathepsin K
50011397	3	ChEBML_154052	Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR gamma chimera
50011397	4	ChEBML_153241	Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR alpha chimera
50011397	5	ChEBML_154542	Agonist activity against PPAR delta
50011397	2	ChEBML_153721	Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR delta chimera
50011397	1	ChEBML_153709	Agonist activity against PPAR alpha
50011397	6	ChEBML_154534	Agonist activity against PPAR gamma
50011398	1	ChEBML_68494	Inhibition of [3H]FPP incorporation into Ha-ras protein by Farnesyltransferase
50011402	3	ChEMBL_68446 (CHEMBL683058)	Inhibition of [3H]EBOB binding to drosophila GABA-A receptor (range 1-28)
50023664	1	ChEMBL_505994 (CHEMBL949646)	Inhibition of aromatase from human placental microsomes
50023665	1	ChEMBL_506001 (CHEMBL950596)	Inhibition of human topoisomerase 2 p170alpha assessed as relaxation of lambda ZAPII plasmid Bluescript KS+ DNA by SDS electrophoresis
50023666	1	ChEMBL_506252 (CHEMBL942442)	Inhibition of 5LO-mediated LTB4 production in human neutrophils by RIA
50023670	1	ChEMBL_506286 (CHEMBL946497)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50011405	1	ChEMBL_158397 (CHEMBL767061)	Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricular myocytes
50011630	2	ChEMBL_153841 (CHEMBL757026)	Inhibitory concentration against Rhizopus chinensis pepsin
50011630	6	ChEMBL_153842 (CHEMBL757027)	Inhibitory concentration against Rhizopus chinensis pepsin
50011406	2	ChEMBL_151871 (CHEMBL763795)	The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition
50011408	2	ChEMBL_158552 (CHEMBL768695)	Inhibition of human IKs-channel expressed in Xenopus oocytes
50011408	3	ChEMBL_158553 (CHEMBL768696)	Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)
50011408	1	ChEMBL_158554 (CHEMBL768697)	Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2)
50011411	7	ChEMBL_225794 (CHEMBL845144)	The compound was tested for inhibition of human trypsin
50011411	1	ChEMBL_222779 (CHEMBL847108)	The compound was tested for inhibition of human plasmin
50011411	5	ChEMBL_48790 (CHEMBL662443)	Binding affinity against human coagulation factor X
50011411	4	ChEMBL_225572 (CHEMBL847929)	The compound was tested for inhibition of human thrombin
50011411	6	ChEMBL_226009 (CHEMBL842150)	The compound was tested for inhibition of human urokinase type plasminogen activator (microPa)
50011411	3	ChEMBL_48457 (CHEMBL662862)	The compound was tested for inhibition of human coagulation factor VII
50011411	2	ChEMBL_225389 (CHEMBL847427)	The compound was tested for inhibition of human tissue plasminogen activator
50011412	2	ChEMBL_165987 (CHEMBL771809)	Binding affinity for RasGPR3, guanine nucleotide exchange factor
50011412	3	ChEMBL_165987 (CHEMBL771809)	Binding affinity for RasGPR3, guanine nucleotide exchange factor
50011413	9	ChEMBL_899 (CHEMBL615810)	Binding affinity against 5-hydroxytryptamine 1A receptor in HeLa cells was determined using [3H]5-HT
50011413	4	ChEMBL_3611 (CHEMBL618094)	Binding affinity as displacement of [3H]5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.
50011413	12	ChEMBL_62122 (CHEMBL673443)	Binding affinity against dopamine receptor D3 in HEK 293 cells using [3H]spiperone radioligand
50011413	3	ChEMBL_2081 (CHEMBL616724)	Binding affinity against 5-hydroxytryptamine 1F receptor in CHO cells using [3H]5-HT radioligand
50011413	7	ChEMBL_60066 (CHEMBL671380)	Binding affinity against dopamine receptor D2 using [3H]spiperone radioligand in CHO cells
50011413	8	ChEMBL_3686 (CHEMBL620821)	Binding affinity for 5-hydroxytryptamine 7 receptor human cloned receptors in CHO cells using [3H]5-HT
50011413	5	ChEMBL_60662 (CHEMBL671699)	Binding affinity against dopamine receptor D4 cloned in HEK 293 cells using [3H]spiperone radioligand
50011413	6	ChEMBL_2082 (CHEMBL616725)	Binding affinity against 5-hydroxytryptamine 1F receptor in CHO using [3H]5-HT radioligand
50011413	14	ChEMBL_3659 (CHEMBL620795)	Binding affinity as displacement of [3H]5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells
50011413	10	ChEMBL_1339 (CHEMBL616525)	Binding affinity against 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-HT as radioligand
50011413	11	ChEMBL_1708 (CHEMBL616915)	Binding affinity against 5-hydroxytryptamine 1D receptor in CHO cells using [3H]5-HT as radioligand
50011413	1	ChEMBL_3597 (CHEMBL618082)	Binding affinity against 5-hydroxytryptamine 5A receptor in HEK 293 cells was determined using [3H]LSD as radioligand
50011413	13	ChEMBL_2207 (CHEMBL617032)	Binding affinity for 5-hydroxytryptamine 2 receptor of rat cortical membrane using [3H]DOB radioligand
50011413	2	ChEMBL_3596 (CHEMBL618081)	Binding affinity against 5-hydroxytryptamine 5A receptor in HEK 293 cells was determined using [3H]LSD as radioligand
50011418	1	ChEMBL_212006 (CHEMBL815106)	Inhibition of tubulin polymerization. (ITP)
50011418	4	ChEMBL_211875 (CHEMBL819257)	Inhibition of tubulin polymerization (ITP)
50011418	2	ChEMBL_211871 (CHEMBL819253)	Inhibition of colchicine binding(ICB). [3H]colchicine concentration was 5 uM
50011418	3	ChEMBL_212012 (CHEMBL816886)	Percent inhibition of colchicine binding(ICB) at 5 uM [3H]colchicine concentration
50011418	5	ChEMBL_211870 (CHEMBL819252)	Inhibition of colchicine binding(ICB). Tubulin concentration was 1 uM
50011422	7	ChEMBL_65488 (CHEMBL682363)	Inhibitory activity against human endothelin A receptor
50011422	11	ChEMBL_63864 (CHEMBL673048)	Binding affinity against endothelin B receptor in porcine cerebellar tissue
50011422	9	ChEMBL_63341 (CHEMBL679283)	Binding affinity against endothelin A receptor in MMQ cells in rat
50011422	6	ChEMBL_63528 (CHEMBL677441)	Binding affinity against human endothelin B receptor in CHO cells
50011422	1	ChEMBL_63220 (CHEMBL674072)	Binding affinity against Endothelin A receptor in MMQ cells in rat
50011422	5	ChEMBL_65639 (CHEMBL681521)	Binding affinity against endothelin A receptor in MMQ cells in rat
50011422	4	ChEMBL_65665 (CHEMBL677092)	Inhibitory activity against human Endothelin A receptor
50011422	3	ChEMBL_65640 (CHEMBL681522)	Binding affinity against human Endothelin A receptor
50011422	2	ChEMBL_65666 (CHEMBL677093)	binding affinity against human Endothelin A receptor
50011422	8	ChEMBL_63693 (CHEMBL670649)	Inhibitory activity against human endothelin B receptor
50011422	10	ChEMBL_65462 (CHEMBL682102)	Binding affinity against endothelin A receptor in MMQ cells in rat
50011422	12	ChEMBL_63694 (CHEMBL670650)	Inhibitory activity against human endothelin B receptor
50011425	5	ChEMBL_90544 (CHEMBL700614)	The compound was tested for binding affinity against Insulin-like growth factor binding protein 5
50011425	2	ChEMBL_90406 (CHEMBL698361)	The compound was tested for binding affinity against Insulin-like growth factor binding protein 4
50011425	4	ChEMBL_90545 (CHEMBL700615)	The compound was tested for binding affinity against Insulin-like growth factor binding protein 6
50011425	6	ChEMBL_90402 (CHEMBL698357)	The compound was tested for binding affinity against insulin-like growth factor binding protein 2
50011425	1	ChEMBL_90405 (CHEMBL698360)	Inhibitory activity against Insulin-like growth factor binding protein 3
50011425	3	ChEMBL_90407 (CHEMBL698362)	The compound was tested for binding affinity against Insulin-like growth factor binding protein 4
50011425	7	ChEMBL_90401 (CHEMBL698356)	The compound was tested for binding affinity against insulin-like growth factor binding protein 1
50011426	1	ChEMBL_29414 (CHEMBL875241)	Inhibitory concentration required against acetylcholinesterase activity
50011427	3	ChEMBL_145012 (CHEMBL756274)	Displacement of [3H]NC from human ORL1 receptor expressing HEK293 cell membrane
50011427	2	ChEMBL_145008 (CHEMBL756270)	Efficacy for human ORL1 receptor expressing HEK293 cells
50011427	1	ChEMBL_145006 (CHEMBL756268)	Binding of compound to cell membranes expressing human ORL1 receptor in HEk-293 cells using [32S]GTP-gamma-S
50011432	3	ChEMBL_139390 (CHEMBL747003)	Affinity for human muscarinic acetylcholine receptor M5 subtype expressed in CHO-K1 cells
50011432	4	ChEMBL_139641 (CHEMBL748254)	Affinity for human muscarinic acetylcholine receptor M2 expressed in CHO-K1 cells
50011432	1	ChEMBL_139119 (CHEMBL749857)	Affinity for human M4 cloned muscarinic receptor subtype expressed in CHO-K1 cells
50011432	2	ChEMBL_138697 (CHEMBL747664)	Affinity for human M3 cloned muscarinic receptor subtype expressed in CHO-K1 cells
50011432	5	ChEMBL_138400 (CHEMBL744763)	Affinity for human M1 cloned muscarinic receptor subtype expressed in CHO-K1 cells
50011432	6	ChEMBL_139757 (CHEMBL745198)	Binding affinity against muscarinic acetylcholine receptor M2
50011434	3	ChEMBL_49028 (CHEMBL662067)	Inhibitory activity against recombinant human cell division cycle 25B
50011434	1	ChEMBL_214523 (CHEMBL819515)	Inhibitory Activity against Recombinant Human VHR
50011434	2	ChEMBL_154455 (CHEMBL756368)	Inhibitory Activity against Recombinant Human PTP1
50011435	1	ChEMBL_103719 (CHEMBL712287)	In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells
50011440	8	ChEMBL_207468 (CHEMBL816749)	In vitro binding at TP human prostaglandin receptor using [3H]SQ-29,548 as radioligand
50011440	11	ChEMBL_220868 (CHEMBL822980)	In vitro binding at FP human prostaglandin receptor using [3H]PGF-2 alpha as radioligand
50011440	13	ChEMBL_158464 (CHEMBL763223)	In vitro binding at prostanoid IP receptor using [3H]iloprost as radioligand
50011440	10	ChEMBL_158299 (CHEMBL763184)	In vitro binding at EP2 human prostaglandin receptor
50011440	4	ChEMBL_158174 (CHEMBL766137)	In vitro binding at EP1 human prostaglandin receptor using [3H]PGE-2 as radioligand
50011440	9	ChEMBL_158316 (CHEMBL764942)	In vitro binding at EP3 human prostaglandin receptor using [3H]PGE-2 as radioligand
50011440	1	ChEMBL_158168 (CHEMBL766131)	In vitro binding at DP human prostaglandin receptor using [3H]- PGD-2 as radioligand
50011440	5	ChEMBL_220742 (CHEMBL881446)	In vitro binding at FP human prostaglandin receptor using [3H]- PGF-2 alpha as radioligand
50011440	6	ChEMBL_207467 (CHEMBL816748)	Functional activity in RAT-1 cells, transiently transfected with human prostaglandin TP receptor
50011440	7	ChEMBL_158300 (CHEMBL763185)	In vitro binding at EP2 human prostaglandin receptor using [3H]PGE-2 as radioligand
50011440	12	ChEMBL_158315 (CHEMBL764941)	Functional activity in RAT-1 cells, transiently transfected with human prostaglandin EP3 receptor
50011440	3	ChEMBL_158173 (CHEMBL766136)	Functional activity in RAT-1 cells, transiently transfected with human prostaglandin EP1 receptor
50011440	2	ChEMBL_158330 (CHEMBL767813)	In vitro binding at EP4 human prostaglandin receptor using [3H]PGE-2 as radioligand
50011441	1	ChEMBL_141138 (CHEMBL749038)	Inhibitory concentration against rat brain NAALADase (Folate hydrolase)
50011447	2	ChEMBL_220736 (CHEMBL841902)	Transcriptional potency (EC50) at Human estrogen receptor alpha
50011447	1	ChEMBL_67186 (CHEMBL677954)	Transcriptional potency (EC50) at Human estrogen receptor Beta
50011448	2	ChEMBL_104568 (CHEMBL714851)	Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-3
50011448	4	ChEMBL_105943 (CHEMBL714693)	Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-1
50011448	1	ChEMBL_206020 (CHEMBL810826)	Inhibition of TACE using scintillation proximity assay (SPA)
50011449	2	ChEMBL_154682 (CHEMBL767201)	In vitro inhibition of Plasmodium falciparum Glutathione Reductase
50011449	1	ChEMBL_72474 (CHEMBL685507)	In vitro inhibition of human Glutathione Reductase
50011452	1	ChEMBL_28947 (CHEMBL636942)	In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes
50011452	2	ChEMBL_28946 (CHEMBL636941)	Inhibitory activity against Acyl-coenzyme A:cholesterol acyltransferase in macrophages
50011455	1	ChEBML_51546	Inhibition of recombinant human Cytochrome P450 2C9
50011455	4	ChEBML_51734	Inhibition of recombinant human Cytochrome P450 2D6
50011455	3	ChEBML_51930	Inhibition of recombinant human Cytochrome P450 3A4
50011455	2	ChEBML_158570	Tested for inhibitory activity against Prostaglandin G/H synthase
50011462	1	ChEBML_221336	Inhibition of lck catalytic domain expressed in baculovirus
50011463	1	ChEBML_205566	Ability to displace [125I]-labeled substance P from human cloned Tachykinin receptor 1 in CHO cells.
50011465	2	ChEBML_39053	Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol
50011465	1	ChEBML_39068	Tested for binding affinity to murine Beta-3 adrenergic receptor
50011470	3	ChEBML_70575	Inhibition of farnesyltransferase activity against H-Ras
50011470	2	ChEBML_70576	Inhibition of farnesyltransferase activity against H-Ras
50011470	5	ChEBML_70577	Inhibition of farnesyltransferase activity against K-Ras
50011470	6	ChEMBL_71962 (CHEMBL686127)	Inhibition of Geranylgeranyl transferase type I
50011470	4	ChEBML_70578	Inhibition of farnesyltransferase activity against K-Ras
50011473	2	ChEBML_209021	In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand
50011473	1	ChEBML_205389	In vitro binding affinity for Tachykinin receptor 1 of bovine retinal membranes using [3H]Sar9-substance P as radioligand
50023687	1	ChEMBL_506324 (CHEMBL949677)	Inhibition of mushroom tyrosinase
50011476	6	ChEBML_39800	Inhibitory activity against C-X-C chemokine receptor type 4
50011476	1	ChEBML_39495	Inhibitory activity against C-C chemokine receptor type 4
50011476	2	ChEBML_41753	Inhibitory activity against C-C chemokine receptor type 1
50011476	4	ChEBML_41901	Inhibitory activity against C-C chemokine receptor type 2
50011476	3	ChEBML_39486	Inhibitory activity against C-C chemokine receptor type 3
50011476	7	ChEMBL_39507 (CHEMBL654652)	Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radioligand
50011477	7	ChEMBL_39801 (CHEMBL652953)	Compound was evaluated for its inhibitory activity against C-X-C chemokine receptor type 4
50011477	2	ChEBML_39801	Compound was evaluated for its inhibitory activity against C-X-C chemokine receptor type 4
50011477	3	ChEBML_39496	Compound was evaluated for its inhibitory activity against C-C chemokine receptor type 4
50011477	4	ChEBML_41902	Compound was evaluated for its inhibitory activity against C-C chemokine receptor type 2
50011477	6	ChEMBL_216742 (CHEMBL873385)	Binding affinity against human CCR5 receptor stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radioligand
50011477	1	ChEBML_41754	Compound was evaluated for inhibitory activity against C-C chemokine receptor type 1
50011477	5	ChEBML_39487	Compound was evaluated for its inhibitory activity against C-C chemokine receptor type 3
50011479	8	ChEMBL_153384 (CHEMBL760604)	Maximal reporter activity against human Peroxisome proliferator activated receptor alpha Gal4 chimeric in transiently transfected CV-1 cells by functional assay.
50011479	1	ChEBML_153859	Concentration that gave 50% of maximal reporter activity against human Peroxisome proliferator activated receptor delta Gal4 chimeric in transiently transfected CV-1 cells by functional assay.
50011482	4	ChEBML_41689	In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor
50011482	2	ChEBML_41520	In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor
50011482	1	ChEMBL_41521 (CHEMBL654503)	In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor
50011484	1	ChEBML_39503	Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes
50011484	2	ChEMBL_39504 (CHEMBL654033)	Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes.
50011485	1	ChEBML_152640	Inhibitory activity against papain using HPLC assay
50011487	1	ChEBML_223230	Inhibition of sodium channel blockade in CHO cells expressing neuronal mammalian type IIA (CNaIIA) sodium channel
50011487	2	ChEBML_46176	Inhibition of sodium channel blockade in CHO cells expressing human cardiac (hHI) sodium channel
50011489	1	ChEBML_225578	In vitro ability to inhibit the amidolytic activity of thrombin
50011490	1	ChEBML_51115	Inhibition of [125I]o-CRF binding to human Corticotropin releasing factor receptor 1 expressed in CHO cells.
50011496	1	ChEMBL_32098 (CHEMBL644300)	Inhibitory concentration to aldose reductase (ALR-2) obtained from rat lens
50011498	19	ChEMBL_88918 (CHEMBL699818)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1
50011498	43	ChEMBL_91804 (CHEMBL700375)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-10)
50011498	46	ChEMBL_91803 (CHEMBL700374)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (30-170)
50011498	47	ChEMBL_91800 (CHEMBL700986)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-10)
50011498	9	ChEMBL_88946 (CHEMBL699117)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(6-13)
50011498	18	ChEMBL_88923 (CHEMBL698471)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (4-7)
50011498	38	ChEMBL_88929 (CHEMBL698477)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-9)
50011498	31	ChEMBL_91797 (CHEMBL702304)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-2)
50011498	33	ChEMBL_88938 (CHEMBL699110)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(3-6)
50011498	40	ChEMBL_91809 (CHEMBL700380)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(3-10)
50011498	6	ChEMBL_88926 (CHEMBL698474)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-12)
50011498	29	ChEMBL_91794 (CHEMBL702301)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1
50011498	16	ChEMBL_88921 (CHEMBL698469)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (290-300)
50011498	17	ChEMBL_88924 (CHEMBL698472)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (5-8)
50011498	39	ChEMBL_91808 (CHEMBL700379)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(2-8)
50011498	8	ChEMBL_88943 (CHEMBL699114)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(40-60)
50011498	34	ChEMBL_88937 (CHEMBL699109)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(140-150)
50011498	21	ChEMBL_91810 (CHEMBL700381)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(30-300)
50011498	41	ChEMBL_91806 (CHEMBL700377)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(0.03-0.5)
50011498	27	ChEMBL_91795 (CHEMBL702302)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (1-10)
50011498	10	ChEMBL_88928 (CHEMBL698476)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-6)
50011498	45	ChEMBL_91802 (CHEMBL700373)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (30-150)
50011498	2	ChEMBL_88940 (CHEMBL699112)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(30-60)
50011498	4	ChEMBL_88941 (CHEMBL699113)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (3700-3800)
50011498	35	ChEMBL_91799 (CHEMBL700985)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9)
50011498	1	ChEMBL_88920 (CHEMBL698468)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (260-270)
50011498	14	ChEMBL_88922 (CHEMBL698470)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (3600-5100)
50011498	22	ChEMBL_88931 (CHEMBL699103)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(100-110)
50011498	5	ChEMBL_88944 (CHEMBL699115)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(5-5)
50011498	48	ChEMBL_91801 (CHEMBL700372)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-18)
50011498	44	ChEMBL_91805 (CHEMBL700376)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-100)
50011498	12	ChEMBL_88927 (CHEMBL698475)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-19)
50011498	42	ChEMBL_91807 (CHEMBL700378)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(12-60)
50011498	26	ChEMBL_88933 (CHEMBL699105)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (10400-11300)
50011498	23	ChEMBL_88930 (CHEMBL698478)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (80-110)
50011498	15	ChEMBL_88947 (CHEMBL699118)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(6-9)
50011498	3	ChEMBL_88942 (CHEMBL872962)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(4-6)
50011498	25	ChEMBL_88934 (CHEMBL699106)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(110-120)
50011498	20	ChEMBL_88919 (CHEMBL699819)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (2500-11500)
50011498	11	ChEMBL_88945 (CHEMBL699116)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(50-60)
50011498	28	ChEMBL_88932 (CHEMBL699104)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(100-200)
50011498	7	ChEMBL_88925 (CHEMBL698473)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-10)
50011498	37	ChEMBL_88936 (CHEMBL699108)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(130-170)
50011498	24	ChEMBL_88935 (CHEMBL699107)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(120-140)
50011498	32	ChEMBL_91796 (CHEMBL702303)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (100-600)
50011498	30	ChEMBL_88939 (CHEMBL699111)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(30-30)
50011498	13	ChEMBL_88948 (CHEMBL699119)	Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(760-2620)
50011498	36	ChEMBL_91798 (CHEMBL702305)	Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-30)
50011499	1	ChEMBL_223691 (CHEMBL846101)	Binding affinity for sigma 1 opioid receptor, measured on guinea pig brain membranes using [3H]- (+)-pentazocine as radioligand
50011501	3	ChEMBL_1125 (CHEMBL616070)	Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal membranes
50011501	8	ChEMBL_62392 (CHEMBL672344)	Binding affinity towards dopamine receptor D2 in rat striatal membranes
50011501	2	ChEMBL_918 (CHEMBL615766)	Binding affinity on human cloned 5-hydroxytryptamine 1A receptor transfected in human cell lines(He La)
50011501	7	ChEMBL_34339 (CHEMBL649152)	Binding affinity was determined on human cloned alpha-1B adrenergic receptor
50011501	6	ChEMBL_30102 (CHEMBL642029)	Binding affinity was determined on human cloned Alpha-1A adrenoceptor
50011501	4	ChEMBL_32435 (CHEMBL646096)	Binding affinity towarda alpha-1D adrenergic receptor
50011501	5	ChEMBL_917 (CHEMBL615765)	Binding affinity on human cloned 5-hydroxytryptamine 1A receptor transfected in human cell lines (He La)
50011506	2	ChEMBL_209964 (CHEMBL820620)	Thymidylate synthase inhibition in thymidine kinase deficient LM cells after 2 hr treatment
50011506	1	ChEMBL_209965 (CHEMBL820621)	Thymidylate synthase inhibition in wild type LM cells after 2 hr treatment
50011506	4	ChEMBL_209962 (CHEMBL820618)	Thymidylate synthase inhibition in L1210 mouse leukemia cells after 2 hr treatment
50011506	3	ChEMBL_209963 (CHEMBL820619)	Thymidylate synthase inhibition in thymidine kinase deficient /TK cells after 2 hr treatment
50011520	1	ChEBML_101009	Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).
50011522	2	ChEBML_159762	In vitro inhibitory activity towards human recombinant Prostaglandin G/H synthase 2 enzyme
50011524	1	ChEBML_154056	Concentration of compound that affords half-maximum transactivation of human Peroxisome proliferator activated receptor gamma in CHO-K1 cells was determined in vitro
50011524	2	ChEBML_153381	Transactivation of human Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells
50011525	1	ChEBML_65801	In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane
50011525	3	ChEBML_64041	In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes
50011525	2	ChEMBL_65801 (CHEMBL877703)	In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane
50011530	4	ChEBML_106318	Binding affinity for neutrophil collagenase (MMP-1)
50011532	3	ChEMBL_90295 (CHEMBL698775)	Binding affinity towards Ionotropic glutamate receptor AMPA 3 from rat brain
50011532	8	ChEMBL_90287 (CHEMBL697506)	Binding affinity towards Ionotropic glutamate receptor AMPA 2 from rat brain
50011532	5	ChEMBL_90147 (CHEMBL701245)	The potency at recombinant rat AMPA-R was measured on GluR1 receptor expressed in Xenopus Laevis oocytes
50011532	10	ChEMBL_72851 (CHEMBL680876)	Binding affinity towards GluR4 receptor from rat brain
50011532	4	ChEMBL_90148 (CHEMBL701246)	Binding affinity towards GluR1 receptor from rat brain
50011532	6	ChEMBL_90286 (CHEMBL697505)	The potency at recombinant rat AMPA-R was measured on receptor Ionotropic glutamate receptor AMPA 2 expressed in Xenopus Laevis oocytes
50011532	1	ChEMBL_90294 (CHEMBL698774)	The potency at recombinant rat AMPA-R was measured on Ionotropic glutamate receptor AMPA 3 expressed in Xenopus Laevis oocytes
50011532	9	ChEMBL_72850 (CHEMBL680875)	The potency at recombinant rat AMPA-R was measured on GluR4 receptor expressed in Xenopus Laevis oocytes
50011535	2	ChEMBL_47411 (CHEMBL657288)	Inhibitory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.
50011535	3	ChEMBL_48670 (CHEMBL658341)	Inhibitory activity against recombinant human cathepsin S (cat S) expressed in baculovirus
50011535	1	ChEMBL_48365 (CHEMBL661681)	Inhibitory activity against recombinant human cathepsin L (cat L) expressed in baculovirus
50011536	1	ChEMBL_211341 (CHEMBL815034)	Inhibition of tubulin polymerization.
50011536	2	ChEMBL_211336 (CHEMBL820779)	Inhibition of tubulin polymerization
50011538	2	ChEMBL_138408 (CHEMBL744770)	Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displacing [3H](R)-QNB radioligand.
50011538	1	ChEMBL_139106 (CHEMBL749230)	Agonist activity against human M4 muscarinic receptor expressed in RBL-2H3 Mast cells
50011538	8	ChEMBL_138271 (CHEMBL744228)	Agonistic activity against M1 muscarinic receptor expressed in NIH 3T3 cells
50011538	7	ChEMBL_138270 (CHEMBL744227)	Agonistic activity against M1 muscarinic receptor expressed in A9 L cells.
50011538	5	ChEMBL_139105 (CHEMBL749229)	Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.
50011538	6	ChEMBL_139382 (CHEMBL747135)	Agonistic activity against muscarinic acetylcholine receptor M5 expressed in NIH 3T3 cells
50011538	9	ChEMBL_138272 (CHEMBL744229)	Agonistic activity against M1 muscarinic receptor expressed in NIH 3T3 cells.
50011538	3	ChEMBL_138409 (CHEMBL744771)	Binding affinity towards M1 muscarinic receptor expressed in A9 L cells by displacing [3H](R)-QNB radioligand.
50011538	4	ChEMBL_139383 (CHEMBL747136)	Agonistic activity against muscarinic acetylcholine receptor M5 expressed in NIH 3T3 cells.
50011545	1	ChEMBL_217986 (CHEMBL824105)	Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM
50011545	2	ChEMBL_103136 (CHEMBL712306)	In vitro inhibitory activity against MTP using MTP transfer assay
50011549	2	ChEMBL_1110 (CHEMBL616055)	Binding affinity towards 5-hydroxytryptamine 1A receptor
50011549	3	ChEMBL_62758 (CHEMBL676127)	Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]spiperone displacement.
50011549	1	ChEMBL_62391 (CHEMBL672343)	Affinity at D2 dopamine receptor on CHO cell membranes by [3H]PNU-86170 displacement.
50011551	1	ChEMBL_206960 (CHEMBL816643)	Inhibitory activity against Syk C-terminal SH2 domain in in-silico screening
50011551	3	ChEMBL_206961 (CHEMBL817272)	Inhibitory activity against Syk C-terminal SH2.
50011551	2	ChEMBL_206962 (CHEMBL817273)	Inhibitory activity against Syk C-terminal SH2 (at 10 mM)
50011552	5	ChEMBL_158955 (CHEMBL767340)	Concentration required for inhibition of human cytomegalo virus (HCMV) protease activity.
50011552	8	ChEMBL_158955 (CHEMBL767340)	Concentration required for inhibition of human cytomegalo virus (HCMV) protease activity.
50011552	1	ChEMBL_29404 (CHEMBL643377)	Concentration required for 50% Acetylcholinesterase inhibition
50011552	3	ChEMBL_208857 (CHEMBL810931)	Concentration required for 50% thrombin inhibition
50011553	3	ChEMBL_68328 (CHEMBL680699)	Binding affinity for Excitatory amino acid transporter 2 (EAAT-2) in Glu uptake system
50011553	5	ChEMBL_68330 (CHEMBL680701)	Binding affinity for Excitatory amino acid transporter 3 (EAAT-3) in Glu uptake system
50011553	1	ChEMBL_68326 (CHEMBL680697)	Binding affinity for Excitatory amino acid transporter 1 (EAAT-1) in Glu uptake system
50011555	5	ChEMBL_54089 (CHEMBL669986)	Antimycobacterial activity against human dihydrofolate reductase (hDHFR)
50011555	3	ChEMBL_55100 (CHEMBL665360)	Antimycobacterial activity against Mycobacterium avium complex dihydrofolate reductase (MAC DHFR)
50011555	2	ChEMBL_54088 (CHEMBL669985)	Antimycobacterial activity against Human dihydrofolatereductase (hDHFR)
50011559	23	ChEMBL_30425 (CHEMBL640269)	Displacement of specific [3H]DPCPX binding at human adenosine A2B receptor expressed in HEK293 cells.
50011559	13	ChEMBL_31502 (CHEMBL647487)	Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells.
50011559	16	ChEMBL_32019 (CHEMBL649055)	Displacement of specific [3H]MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells.
50011559	19	ChEMBL_31499 (CHEMBL647484)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 49-72
50011559	1	ChEMBL_31500 (CHEMBL647485)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 66-85
50011559	12	ChEMBL_27602 (CHEMBL644322)	Displacement of specific [3H]DPCPX binding at human Adenosine A1 receptor expressed in CHO cells.
50011559	4	ChEMBL_27604 (CHEMBL644324)	Displacement of [3H]-DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 9257-9817
50011559	2	ChEMBL_27712 (CHEMBL639526)	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 2153-2891
50011559	6	ChEMBL_27603 (CHEMBL644323)	Displacement of [3H]DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 5697-7171
50011559	21	ChEMBL_27598 (CHEMBL644318)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 324-420
50011559	24	ChEMBL_31497 (CHEMBL647482)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 98-144
50011559	8	ChEMBL_31505 (CHEMBL647490)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 48.9-52.4
50011559	17	ChEMBL_27596 (CHEMBL644316)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 9038-9773
50011559	3	ChEMBL_27599 (CHEMBL644319)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 3420-3788
50011559	20	ChEMBL_31498 (CHEMBL647483)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 0.69-0.92
50011559	10	ChEMBL_31504 (CHEMBL647489)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 3.4-4.2
50011559	5	ChEMBL_31507 (CHEMBL647492)	Displacement of [3H]-SCH- 58261 from human Adenosine A2A receptor expressed in HEK293 cells; ranges from 4.95-6.08
50011559	15	ChEMBL_27601 (CHEMBL644321)	Displacement of [3H]DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 8783-9911
50011559	7	ChEMBL_31506 (CHEMBL647491)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 129-152
50011559	18	ChEMBL_27595 (CHEMBL644315)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 1460-2201
50011559	9	ChEMBL_27600 (CHEMBL644320)	Displacement of [3H]DPCPX binding at human Adenosine A1 receptor expressed in CHO cells; ranges from 363-514
50011559	22	ChEMBL_27597 (CHEMBL644317)	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; ranges from 107-181
50011559	11	ChEMBL_31503 (CHEMBL647488)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 0.16-0.21
50011559	14	ChEMBL_31501 (CHEMBL647486)	Displacement of [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells; ranges from 98-144
50011563	2	ChEMBL_51379 (CHEMBL663710)	Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1
50011563	1	ChEMBL_51367 (CHEMBL663698)	Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2
50011563	3	ChEMBL_51348 (CHEMBL664422)	Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1
50011565	1	ChEMBL_71959 (CHEMBL686124)	Inhibition of partially purified Geranylgeranyl transferase type I (GGTase-I) from human Burkitt lymphoma (Daudi) cells
50011565	2	ChEMBL_70447 (CHEMBL680080)	Inhibition of farnesyltransferase from human Burkitt lymphoma (Daudi) cells
50011568	7	ChEMBL_106297 (CHEMBL714553)	In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay
50011568	4	ChEMBL_104551 (CHEMBL718937)	In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay
50011568	3	ChEMBL_105209 (CHEMBL713848)	Inhibition of Matrix metalloprotease-8 (MMP-8) in fluorimetric assay
50011568	1	ChEMBL_106639 (CHEMBL717023)	Inhibition of Matrix metalloprotease-13 (MMP-13) in fluorimetric assay
50011568	6	ChEMBL_105058 (CHEMBL712197)	Inhibition of Matrix metalloprotease-7 (MMP-7) in fluorimetric assay
50011568	2	ChEMBL_104893 (CHEMBL715751)	Inhibition of Matrix metalloprotease-3 (MMP-3) in fluorimetric assay
50011569	2	ChEMBL_52830 (CHEMBL665036)	In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.
50011569	4	ChEMBL_55098 (CHEMBL665358)	Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)
50011569	3	ChEMBL_53309 (CHEMBL662241)	Inhibition of partially purified dihydrofolate reductase (DHFR) from Toxoplasma gondii (Tg)
50011569	1	ChEMBL_54943 (CHEMBL669014)	Inhibition of partially purified dihydrofolate reductase (DHFR) from rat liver
50011571	2	ChEBML_48590	Inhibition of [3H]propionyl-CCK-8 specific binding to rat cerebral cortex membranes Cholecystokinin type B receptor
50011571	1	ChEBML_50183	Inhibition of [3H]propionyl-CCK-8 specific binding to rat pancreatic Cholecystokinin type A receptor
50011579	2	ChEBML_205884	Tested for binding affinity against neurokinin 1 (NK1) receptor
50011579	3	ChEBML_209195	Tested for binding affinity of compound against Tachykinin receptor 2
50011579	1	ChEMBL_205885 (CHEMBL813798)	Tested for binding affinity of compound against Tachykinin receptor 1
50011579	4	ChEMBL_209195 (CHEMBL817323)	Tested for binding affinity of compound against Tachykinin receptor 2
50011580	4	ChEBML_210738	Inhibition of NGF high affinity receptor tyrosine kinase TrkA
50011580	3	ChEBML_122392	Inhibition of Mixed lineage kinase 2(MLK2)
50011580	1	ChEBML_122394	Inhibition of Mixed lineage kinase 3 (MLK3)
50011580	2	ChEBML_122391	Inhibition of Mixed lineage kinase 1 (MLK1)
50011582	12	ChEBML_223548	Tested for binding affinity towards 5-HT2c receptor
50011582	10	ChEMBL_2312 (CHEMBL617519)	Tested for binding affinity towards 5-hydroxytryptamine 2A receptor
50011582	7	ChEMBL_223548 (CHEMBL871816)	Tested for binding affinity towards 5-HT2c receptor
50011582	1	ChEBML_2675	Tested for binding affinity towards rat 5-hydroxytryptamine 2A receptor using [3H]DOB as radioligand
50011582	6	ChEMBL_2317 (CHEMBL617524)	Tested for binding affinity towards human 5-hydroxytryptamine 2A receptor using [3H]DOB as radioligand
50011582	4	ChEMBL_2731 (CHEMBL617290)	Tested for binding affinity towards human 5-hydroxytryptamine 2C receptor using [3H]5-HT as radioligand
50011582	2	ChEMBL_2676 (CHEMBL617924)	Tested for binding affinity towards rat 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand
50011586	2	ChEBML_213150	In vitro inhibition of HWMT human urokinase Plasminogen activator.
50011586	1	ChEBML_155229	Ability to inhibit human tissue plasminogen activator stimulator
50011586	3	ChEBML_207886	Ability to inhibit human tissue plasminogen activator stimulator
50011586	4	ChEMBL_155229 (CHEMBL764719)	Ability to inhibit human tissue plasminogen activator stimulator
50011587	3	ChEBML_213153	In vitro inhibition of human urokinase Plasminogen Activator.
50011587	6	ChEMBL_207885 (CHEMBL808462)	Ability to inhibit Tissue plasminogen activator using human Tissue plasminogen activator (quadratech) and S-2444 as substrate
50011587	1	ChEMBL_155228 (CHEMBL764718)	Ability to inhibit human plasmin using Chromozym-PL as substrate at concentration of 1 uM
50011587	7	ChEBML_207887	Ability to inhibit tissue plasminogen activator (quadratech) and S-2444 as substrate
50011587	4	ChEMBL_213152 (CHEMBL815979)	Ability to inhibit Urokinase-type plasminogen activator using HWMT human microPa (calbiochem) and S-2444 (quadratech) as substrate
50011587	2	ChEMBL_213151 (CHEMBL815978)	Ability to inhibit HWMT human microPa using S-2444 as substrate
50011587	5	ChEBML_155230	Ability to inhibit plasmin using human plasmin (quadratech) and Chromozym-PL (boehringer) as substrate
50011589	1	ChEBML_28306	In vitro inhibitory activity against human recombinant AChE
50011590	6	ChEBML_145109	Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A
50011590	2	ChEBML_145604	Binding affinity towards mu opioid receptor by the displacement of [125I]Enkephalin
50034028	8	ChEMBL_776272 (CHEMBL1914069)	Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation at Ser473 treated for 15 mins before insulin challenge measured after 5 mins by immunoblotting
50034028	9	ChEMBL_776284 (CHEMBL1914129)	Inhibition of mouse recombinant PI3K p110alpha expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging
50034028	1	ChEMBL_776283 (CHEMBL1914128)	Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging
50034028	10	ChEMBL_776279 (CHEMBL1914124)	Inhibition of human His-tagged PI3K p110alpha after 2 hrs by HTRF assay
50034028	11	ChEMBL_776278 (CHEMBL1914123)	Inhibition of human His-tagged PI3K p110beta after 2 hrs by HTRF assay
50034028	7	ChEMBL_776271 (CHEMBL1914068)	Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation at Thr308 treated for 15 mins before insulin challenge measured after 5 mins by immunoblotting
50034038	5	ChEMBL_775225 (CHEMBL1912579)	Inhibition of human recombinant N-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis
50034038	6	ChEMBL_775223 (CHEMBL1912577)	Inhibition of human recombinant N-terminal maltase-glucoamylase by Lineweaver-Burk plot analysis
50034064	4	ChEMBL_774906 (CHEMBL1913351)	Inhibition of aggrecanase-1
50034064	5	ChEMBL_774907 (CHEMBL1913352)	Inhibition of aggrecanase-2
50011606	1	ChEMBL_143505 (CHEMBL754518)	50% inhibitory concentration against Neuronal nitric oxide synthase (nNOS) activity
50034067	5	ChEMBL_775008 (CHEMBL1912163)	Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr
50034067	3	ChEMBL_775006 (CHEMBL1912161)	Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay
50034067	2	ChEMBL_775098 (CHEMBL1912357)	Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in the absence of MgCl2
50034067	7	ChEMBL_775089 (CHEMBL1912348)	Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay in presence of 5 mM MgCl2
50034067	4	ChEMBL_775007 (CHEMBL1912162)	Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production after 1 hr
50034070	11	ChEMBL_775550 (CHEMBL1913185)	Inhibition of human recombinant PDE11A
50034070	12	ChEMBL_775546 (CHEMBL1913181)	Inhibition of human recombinant PDE5A
50034074	3	ChEMBL_775874 (CHEMBL1912415)	Inhibition of CDK1
50034076	2	ChEMBL_775964 (CHEMBL1912707)	Inhibition of BACE1 by fluorescence-based assay
50034086	1	ChEMBL_785711 (CHEMBL1920639)	Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting
50034086	13	ChEMBL_785717 (CHEMBL1920645)	Antagonist activity at CRTH2 in human blood cells assessed as inhibition of PGD2-induced eosinophil cell shape change after 10 mins by flow cytometry
50034086	4	ChEMBL_785715 (CHEMBL1920643)	Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy
50011612	1	ChEMBL_159462 (CHEMBL878769)	Inhibitory activity against HIV-1 protease
50034086	5	ChEMBL_785716 (CHEMBL1920644)	Antagonist activity at human CRTH2 expressed in human CHO cells by cellular dielectric spectroscopy in the presence of PGD2 and 0.1% BSA
50034086	3	ChEMBL_785713 (CHEMBL1920641)	Antagonist activity human CRTH2 expressed in chinese hamster CHO cells assessed as inhibition of PGD2-induced [35S]GTPgamma binding by liquid scintillation counting
50034086	14	ChEMBL_785860 (CHEMBL1921129)	Antagonist activity at DP1 by cAMP functional assay
50034086	7	ChEMBL_785714 (CHEMBL1920642)	Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting in the presence of 0.1% BSA
50034086	8	ChEMBL_785718 (CHEMBL1920738)	Inhibition of CRTH2-mediated chemotaxis of human eosinophils towards DK-PGD2 after 30 mins by fluorescence counter
50034096	6	ChEMBL_787971 (CHEMBL1918905)	Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated for 1 hrs before substrate addition measured after 15 mins by fluorimetry
50034104	10	ChEMBL_787459 (CHEMBL1919378)	Displacement of [3H]PGD2 from human CRTH2 receptor
50034104	1	ChEMBL_787482 (CHEMBL1919401)	Antagonist activity against human CRTh2 receptor in human eosinophils assessed as inhibition of DK-PGD2-induced CD11b expression
50034104	7	ChEMBL_787460 (CHEMBL1919379)	Antagonist activity at human CRTh2 receptor expressed in HEK cells assessed as inhibition of PGD2-induced calcium flux
50011620	12	ChEMBL_201433 (CHEMBL809836)	Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.
50011620	14	ChEMBL_201593 (CHEMBL808283)	Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand
50011620	13	ChEMBL_205728 (CHEMBL809495)	Inhibition of [Sar9,Met(O2)11]-SP binding to human Tachykinin receptor 1 (NK1)
50011620	5	ChEMBL_154227 (CHEMBL763473)	Inhibition of MK 801 binding to NMDA, PCP receptor
50011620	3	ChEMBL_216102 (CHEMBL817691)	The compound was tested for inhibition of dopamine reuptake
50011620	4	ChEMBL_2469 (CHEMBL617357)	Inhibition of ketanserin binding to 5-hydroxytryptamine 2A receptor
50011620	6	ChEMBL_3461 (CHEMBL618145)	Inhibition of GR-65630 binding to 5-hydroxytryptamine 3 receptor
50011620	8	ChEMBL_217137 (CHEMBL822169)	Inhibition of idazoxane binding to noradrenaline alpha-2 receptor
50011620	9	ChEMBL_209023 (CHEMBL816318)	Inhibition of [125I]-NKA binding to human Tachykinin receptor 2  (NK2)
50011620	10	ChEMBL_84868 (CHEMBL694557)	Inhibition of mepyramine binding to Histamine H1 receptor
50011620	2	ChEMBL_209551 (CHEMBL811282)	Inhibition of [125I][MePhe7]-NKB binding to human Tachykinin receptor 3 (NK3)
50011620	7	ChEMBL_70971 (CHEMBL857373)	Inhibition of MDL 105519 binding to NMDA, glycine receptor
50011620	1	ChEMBL_58981 (CHEMBL668646)	Inhibition of SCH 23390 binding to Dopamine receptor D1
50011620	11	ChEMBL_209023 (CHEMBL816318)	Inhibition of [125I]NKA binding to human Tachykinin receptor 2 (NK2)
50034110	16	ChEMBL_788276 (CHEMBL1919539)	Inhibition of PDE5
50034113	2	ChEMBL_788532 (CHEMBL1918371)	Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting
50034113	11	ChEMBL_788534 (CHEMBL1918373)	Inhibition of human prostanoid DP2 receptor in human whole bood assessed as eosinophil shape change preincubated for 15 mins before addition of PGD2 measured after 5 mins by FACS analysis
50034113	3	ChEMBL_788533 (CHEMBL1918372)	Displacement of [3H]-PGD2 from human prostanoid DP2 receptor expressed in human 293T cells by liquid scintillation counting in presence of 0.2 % human serum albumin
50034116	5	ChEMBL_787667 (CHEMBL1918164)	Inhibition of COX1 in human platelets assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for 15 mins before substrate addition measured after 15 mins by enzyme immunoassay
50034125	4	ChEMBL_787298 (CHEMBL1919076)	Inhibition of human placental cytosolic 17beta-HSD1 using [3H]E1 as substrate by HPLC analysis
50034125	5	ChEMBL_787302 (CHEMBL1919080)	Inhibition of 17beta-HSD2 in human MDA-MB-231 cells after 3.5 hrs by HPLC analysis
50034126	1	ChEMBL_787404 (CHEMBL1919283)	Inhibition of BACE-1
50034126	3	ChEMBL_787405 (CHEMBL1919284)	Displacement of [3H]BMS-599240 from recombinant human BACE-1
50034126	5	ChEMBL_787416 (CHEMBL1919295)	Inhibition of BACE-1 in human HEK293 cells overexpressing APP 695 swedish mutation assessed as inhibition of amyloid beta (1 to 40) production by immunoprecipitation assay
50034126	4	ChEMBL_787406 (CHEMBL1919285)	Inhibition of BACE-1 in human HEK293 cells overexpressing APP 695 swedish mutation assessed as inhibition of amyloid beta (1 to 40) production by ELISA method
50034134	2	ChEMBL_786050 (CHEMBL1921660)	Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells
50034134	9	ChEMBL_786049 (CHEMBL1921659)	Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis
50034134	10	ChEMBL_786126 (CHEMBL1919869)	Inhibition of DNA-PK using fluorescein-p53 peptide as substrate after 1 hr by TR-FRET enzyme assay
50034141	3	ChEMBL_785500 (CHEMBL1920063)	Inhibition of BACE1 by HPLC method
50034141	2	ChEMBL_785501 (CHEMBL1920064)	Inhibition of BACE1 in human HEK293 cells expressing swedish mutant APP
50011630	4	ChEMBL_153988 (CHEMBL762339)	Inhibitory concentration against porcine pepsin
50011632	5	ChEMBL_140843 (CHEMBL750042)	Inhibition of Myosin Light Chain kinase (MLCK)
50011634	1	ChEMBL_210068 (CHEMBL813592)	Inhibition of telomerase activity using TRAP assay
50011636	1	ChEMBL_210489 (CHEMBL814596)	Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid hormone receptor alpha-1 in CHO-K1 cells
50011636	2	ChEMBL_210500 (CHEMBL811895)	Concentration required to inhibit 50% of binding of [125I]T3 to human Thyroid hormone receptor beta 1 in CHO-K1 cells
50034142	8	ChEMBL_785938 (CHEMBL1921248)	Displacement of BODIPY-Bak conjugated peptide from GST-tagged human wild type Bcl-W expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay
50034142	9	ChEMBL_785843 (CHEMBL1921059)	Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay
50034143	3	ChEMBL_786188 (CHEMBL1920109)	Inhibition of human MMP-9 activity in human MDA-MB-231 cells assessed as ECM degradation after 24 hrs by gelatin zymography assay
50034145	14	ChEMBL_787241 (CHEMBL1918963)	Inhibition of recombinant human PDE5A using [3H]cGMP after 1 hr by scintillation proximity assay
50034145	15	ChEMBL_787317 (CHEMBL1919144)	Inhibition of recombinant human PDE11A using [3H]cAMP after 1 hr by scintillation proximity assay
50011641	1	ChEMBL_122666 (CHEMBL732796)	Inhibition of the motilin receptor (MTL-R)
50011642	2	ChEMBL_51847 (CHEMBL664070)	Inhibitory activity against cruzain, the major cysteine protease found in Trypanosoma cruzi
50011642	3	ChEMBL_47434 (CHEMBL661175)	Inhibitory activity against human Cathepsin B
50011642	1	ChEMBL_48504 (CHEMBL660653)	Inhibitory activity against human Cathepsin L
50034146	2	ChEMBL_787714 (CHEMBL1918256)	Inhibition of BACE1-mediated amyloid precursor protein cleavage after 16 hrs by chemiluminescent enzyme-fragment complementation assay
50011643	1	ChEMBL_47067 (CHEMBL661108)	Inhibition of Catechol O-methyltransferase activity in rat liver
50011643	2	ChEMBL_47066 (CHEMBL661107)	Inhibition of Catechol O-methyltransferase activity in rat brain
50034148	57	ChEMBL_786781 (CHEMBL1919622)	Inhibition of human PKD2
50034148	58	ChEMBL_786785 (CHEMBL1919626)	Inhibition of human ROCK-2
50034148	59	ChEMBL_786747 (CHEMBL1919588)	Inhibition of human CHK1
50034148	20	ChEMBL_786769 (CHEMBL1919610)	Inhibition of human MAPK2
50034148	60	ChEMBL_786811 (CHEMBL1919729)	Inhibition of human SAPK2a
50034148	61	ChEMBL_786780 (CHEMBL1919621)	Inhibition of human PKCalpha
50034152	3	ChEMBL_787161 (CHEMBL1918779)	Inhibition of COX1 by chemiluminescent enzyme assay
50034157	35	ChEMBL_786843 (CHEMBL1919761)	Inhibition of KDR
50034157	36	ChEMBL_786842 (CHEMBL1919760)	Inhibition of JNK1
50034157	37	ChEMBL_786844 (CHEMBL1919762)	Inhibition of LCK
50034157	38	ChEMBL_786852 (CHEMBL1919770)	Inhibition of RON
50034157	34	ChEMBL_786841 (CHEMBL1919759)	Inhibition of JAK3
50034157	29	ChEMBL_786853 (CHEMBL1919771)	Inhibition of ROS
50034157	39	ChEMBL_786845 (CHEMBL1919763)	Inhibition of LYN
50034157	40	ChEMBL_786850 (CHEMBL1919768)	Inhibition of PLK1
50034157	41	ChEMBL_786720 (CHEMBL1921573)	Inhibition EGFR
50034157	30	ChEMBL_786855 (CHEMBL1919773)	Inhibition of TRKB
50034157	31	ChEMBL_786854 (CHEMBL1919772)	Inhibition of SYK
50034157	42	ChEMBL_786710 (CHEMBL1921563)	Inhibition of Abl1
50023722	1	ChEMBL_480219 (CHEMBL1019939)	Inhibition of Flavobacterium meningosepticum PEP
50011651	1	ChEBML_159922	Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.
50034157	43	ChEMBL_786711 (CHEMBL1921564)	Inhibition of AKT1
50034157	44	ChEMBL_786712 (CHEMBL1921565)	Inhibition of Alk
50034157	45	ChEMBL_786713 (CHEMBL1921566)	Inhibition of Aurora-A
50034157	46	ChEMBL_786722 (CHEMBL1921575)	Inhibition of FAK
50034157	47	ChEMBL_786721 (CHEMBL1921574)	Inhibition of ERK2
50034157	33	ChEMBL_786715 (CHEMBL1921568)	Inhibition of CDK1/Cyclin B
50034157	32	ChEMBL_786716 (CHEMBL1921569)	Inhibition of CDK2/Cyclin E
50034157	48	ChEMBL_786846 (CHEMBL1919764)	Inhibition of MEK1
50034157	49	ChEMBL_786840 (CHEMBL1919758)	Inhibition of IGF1R
50034157	50	ChEMBL_786727 (CHEMBL1921580)	Inhibition of GSK3-beta
50034157	51	ChEMBL_786719 (CHEMBL1921572)	Inhibition cSRC
50034157	52	ChEMBL_786718 (CHEMBL1921571)	Inhibition of cMet
50034157	53	ChEMBL_786717 (CHEMBL1921570)	Inhibition of cKIT
50034157	54	ChEMBL_786725 (CHEMBL1921578)	Inhibition of FLT3
50034157	55	ChEMBL_786726 (CHEMBL1921579)	Inhibition of FMS
50034157	56	ChEMBL_786723 (CHEMBL1921576)	Inhibition of FGFR2
50034157	57	ChEMBL_786724 (CHEMBL1921577)	Inhibition of FGFR3
50034163	3	ChEMBL_786680 (CHEMBL1921533)	Inhibition of human placental 17beta-HSD1 using [2,4,6,7-3H]-estrone as substrate after 10 mins by radio flow detector-based HPLC analysis in presence of NADH as cofactor
50011654	3	ChEMBL_50298 (CHEMBL660418)	Inhibition constant at a concentration of 5 uM on rat DNA polymerase beta as a function of template primer dose
50011654	4	ChEBML_50298	Inhibition constant at a concentration of 5 uM on rat DNA polymerase beta as a function of template primer dose
50034166	4	ChEMBL_788808 (CHEMBL1924793)	Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation counting
50034166	5	ChEMBL_788809 (CHEMBL1924794)	Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation counting
50034166	6	ChEMBL_788807 (CHEMBL1924792)	Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation counting
50011657	8	ChEBML_201366	Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]5-HT with human carcinoma (Jar cells), previously treated with staurosporine
50011657	6	ChEBML_201809	Affinity for RB Serotonin transporter was determined in vitro by incubating compound
50034169	16	ChEMBL_790073 (CHEMBL1925463)	Inhibition of human B-lymphoblastoid cell microsomal CYP3A4 assessed as testosterone 6beta-hydroxylation preincubated for 5 mins with substrate
50034169	5	ChEMBL_790052 (CHEMBL1926384)	Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysis
50034169	17	ChEMBL_790065 (CHEMBL1925455)	Inhibition of human B-lymphoblastoid cell microsomal CYP2A6 assessed as coumarin 7-hydroxylation preincubated for 5 mins with substrate
50034169	10	ChEMBL_790068 (CHEMBL1925458)	Inhibition of human B-lymphoblastoid cell microsomal CYP2C9 (Arg) assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrate
50034172	17	ChEMBL_790769 (CHEMBL1926222)	Inhibition of recombinant human Aurora-B using tetra(LRRWLSG) as substrate
50034175	6	ChEMBL_790946 (CHEMBL1925562)	Inhibition of RON
50034181	5	ChEMBL_789414 (CHEMBL1924336)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced [125I]cAMP accumulation after 30 mins by scintillation counting
50034181	6	ChEMBL_789516 (CHEMBL1924543)	Inhibition of human GLP1 receptor by cAMP assay
50034181	1	ChEMBL_789413 (CHEMBL1924335)	Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 4 to 12 hrs by scintillation counting
50011660	1	ChEBML_208902	Compound was tested for thrombin catalytic activity; no inhibition was observed
50011661	1	ChEMBL_67843 (CHEMBL679631)	Compound was tested for inhibition against estrogen sulfotransferase (EST), a human cytosolic sulfotransferase.
50011661	3	ChEBML_211032	Inhibitory activity of compound was determined against human tyrosylprotein sulfotransferase-2 (hTPST-2) using [35S]PAPS radioligand
50011661	2	ChEBML_67842	Compound was tested for inhibition against estrogen sulfotransferase (EST), a human cytosolic sulfotransferase
50011662	3	ChEBML_153244	Compound was tested for half maximum transactivation activity of human peroxisome proliferator-activated receptor alpha
50011663	2	ChEBML_143683	Binding affinity against Neuropeptide Y receptor type 1 using I-PYY as a radioligand in human neuroblastoma SK-N-MC cells
50011663	1	ChEMBL_143683 (CHEMBL756250)	Binding affinity against Neuropeptide Y receptor type 1 using I-PYY as a radioligand in human neuroblastoma SK-N-MC cells
50011664	1	ChEBML_209933	In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human platelet microsomes.
50034183	34	ChEMBL_789726 (CHEMBL1924896)	Inhibition of N-terminus flag-tagged LynB expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50011668	2	ChEBML_91728	Tested for binding affinity against kynureninase enzyme from rat
50011668	4	ChEMBL_91723 (CHEMBL702021)	Tested for binding affinity against kynureninase enzyme from human
50034183	35	ChEMBL_789710 (CHEMBL1924836)	Inhibition of N-terminus 6XHis-tagged Aurora-B expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50011671	1	ChEBML_48493	Inhibition of Cathepsin L from human kidney
50011671	2	ChEBML_106112	Inhibition of Matrix metalloprotease-1
50011672	1	ChEBML_143825	Inhibition of binding of [125I]PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane
50034184	3	ChEMBL_789920 (CHEMBL1925273)	Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells
50011675	4	ChEBML_71587	Binding affinity against human GnRH receptor expressed in HEK293 cells using des-Gly10[125I]Tyr5, D-Leu, NMeLeu, Pro-NEt GnRH as radioligand.
50011675	1	ChEMBL_71745 (CHEMBL680267)	Binding affinity against gonadotropin-releasing hormone receptor of rat
50011675	3	ChEMBL_71579 (CHEMBL684239)	Inhibitory activity against human GnRH receptor using des-Gly10[125I]Tyr5, D-Leu, NMeLeu, Pro-NEt]GnRH radioligand
50011675	2	ChEBML_71724	Binding affinity against gonadotropin-releasing hormone receptor of rat
50011676	1	ChEBML_71438	Binding affinity to human gonadotropin-releasing hormone (hGnRH) receptor expressed in HEK293 cells using des-Gly10[125I-Tyr,5DLeu,6NMeLeu,7Pro9-NEt]GnRH radioligand
50034184	4	ChEMBL_789921 (CHEMBL1925274)	Inhibition of ROCK1
50011681	4	ChEBML_60852	Inhibition of Dual specificity mitogen-activated protein kinase kinase (MEK-1)
50011681	2	ChEBML_66906	Inhibition of epidermal growth factor receptor (EGFR)
50034192	14	ChEMBL_789272 (CHEMBL1924439)	Inhibition of FLT4
50034192	15	ChEMBL_789248 (CHEMBL1924373)	Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation
50034192	16	ChEMBL_789274 (CHEMBL1924441)	Inhibition of EPHA1
50011684	8	ChEMBL_217947 (CHEMBL823915)	Affinity against alpha V-beta3 integrin via competitive ELISA using vitronectin as natural ligand
50034192	17	ChEMBL_789270 (CHEMBL1924437)	Inhibition of IKK1
50011684	10	ChEMBL_215976 (CHEMBL821005)	Displacement of alphaIIb-beta3 integrin from fibrinogen by ELISA
50011684	7	ChEMBL_217949 (CHEMBL824069)	Adhesion of recombinant alphaV-beta3 integrin expressed in CHO-K1 to osteopontin (OPN)
50011684	6	ChEMBL_217640 (CHEMBL818512)	Cell adhesion of alphaV-beta3 integrin expressed in CHO-K1 cell to osteopontin (OPN)
50034195	3	ChEMBL_789438 (CHEMBL1924414)	Displacement of [125I]galanin from GalR1 by gamma counting
50011686	1	ChEBML_72877	Inhibitory concentration against cAMP production in hGR-CHO cells
50011686	2	ChEMBL_72877 (CHEMBL684045)	Inhibitory concentration against cAMP production in hGR-CHO cells
50011691	1	ChEBML_212981	Inhibition of Human kidney cell urokinase
50011692	1	ChEBML_201564	Binding affinity for sigma-1 receptor by displacing [3H]-(+) pentazocine
50034198	4	ChEMBL_789591 (CHEMBL1924632)	Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate reader
50034198	3	ChEMBL_789595 (CHEMBL1924636)	Irreversible inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation activity by double reciprocal plot analysis in presence of NADPH
50034198	2	ChEMBL_789592 (CHEMBL1924633)	Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate reader
50034203	1	ChEMBL_790200 (CHEMBL1925540)	Antagonist activity at human glucagon receptor expressed in CHO cells assessed as inhibition of forskolin/glucagon-induced cAMP production preincubated for 30 mins before glucagon challenge measured after 30 mins using [125I]-cAMP by liquid scintillation counting
50034203	9	ChEMBL_790368 (CHEMBL1925821)	Antagonist activity at human GLP1 receptor assessed as inhibition of cAMP production
50034203	10	ChEMBL_790196 (CHEMBL1925536)	Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay
50034221	5	ChEMBL_789495 (CHEMBL1924522)	Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 5 hrs by ELISA
50034221	14	ChEMBL_789606 (CHEMBL1924647)	Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 3 hr by ELISA in presence of 0.5% human serum albumin
50034221	11	ChEMBL_789603 (CHEMBL1924644)	Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 5 mins by ELISA in absence of human serum albumin
50034221	1	ChEMBL_789491 (CHEMBL1924518)	Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear cell membranes after 1 hr by scintillation counting
50034221	12	ChEMBL_789604 (CHEMBL1924645)	Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 1 hr by ELISA in absence of human serum albumin
50011696	153	ChEMBL_32167 (CHEMBL646457)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.28-0.41
50011696	94	ChEMBL_30431 (CHEMBL640935)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 50-63
50011696	30	ChEMBL_32172 (CHEMBL646462)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.37-0.56
50011696	166	ChEMBL_27725 (CHEMBL645021)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 184-333
50011696	98	ChEMBL_30579 (CHEMBL649890)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 261-336
50011696	9	ChEMBL_27890 (CHEMBL640586)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 738-961
50011696	105	ChEMBL_30573 (CHEMBL649885)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 211-287
50011696	211	ChEMBL_31529 (CHEMBL646732)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 1.8-5.6
50011696	227	ChEMBL_31522 (CHEMBL646725)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 300-414
50011696	154	ChEMBL_31648 (CHEMBL648203)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 91-137
50011696	188	ChEMBL_29870 (CHEMBL645882)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.76-0.98
50011696	72	ChEMBL_30444 (CHEMBL641128)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 127-203
50011696	132	ChEMBL_27714 (CHEMBL639528)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells
50011696	137	ChEMBL_27718 (CHEMBL639531)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 324-475
50011696	80	ChEMBL_30449 (CHEMBL641132)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 178-310
50011696	215	ChEMBL_31663 (CHEMBL649003)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 23-40
50011696	57	ChEMBL_30450 (CHEMBL641133)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 183-278
50011696	225	ChEMBL_31521 (CHEMBL646724)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 255-366
50011696	197	ChEMBL_31531 (CHEMBL644482)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 15-44
50011696	152	ChEMBL_30426 (CHEMBL640270)	Displacement of [3H]DPCPX binding at human Adenosine A2B receptor expressed in HEK293 cells
50011696	116	ChEMBL_31651 (CHEMBL648206)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 1024-1396
50011696	136	ChEMBL_32163 (CHEMBL646453)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.24-0.64
50011696	85	ChEMBL_30448 (CHEMBL641131)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 162-237
50011696	177	ChEMBL_29878 (CHEMBL644425)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 19-34
50011696	97	ChEMBL_30432 (CHEMBL640936)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 56-89
50011696	164	ChEMBL_31646 (CHEMBL648201)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 78-114
50011696	234	ChEMBL_27746 (CHEMBL641982)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 351-526
50011696	52	ChEMBL_31416 (CHEMBL644557)	Inhibition of IB-MECA agonist-mediated cAMP production in membranes of CHO cells expressing human Adenosine A3 receptor
50011696	115	ChEMBL_31654 (CHEMBL648830)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 114-179
50011696	247	ChEMBL_29886 (CHEMBL641957)	Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells
50011696	60	ChEMBL_31510 (CHEMBL647495)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 102-215
50011696	223	ChEMBL_31520 (CHEMBL646723)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 25-40
50011696	49	ChEMBL_30600 (CHEMBL641834)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 68-105
50011696	10	ChEMBL_32180 (CHEMBL873062)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.53-0.68
50011696	159	ChEMBL_32024 (CHEMBL649060)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.12-0.37
50011696	199	ChEMBL_27737 (CHEMBL645033)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 265-400
50011696	190	ChEMBL_31537 (CHEMBL644488)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 4.4-15.2
50011696	90	ChEMBL_30585 (CHEMBL645703)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 49-77
50011696	53	ChEMBL_31508 (CHEMBL647493)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells
50011696	130	ChEMBL_27716 (CHEMBL639530)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 23-40
50011696	117	ChEMBL_32157 (CHEMBL646447)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.21-0.40
50011696	202	ChEMBL_27734 (CHEMBL645030)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 248-276
50011696	157	ChEMBL_31649 (CHEMBL648204)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 96-133
50011696	8	ChEMBL_27893 (CHEMBL640553)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 1027-1396
50011696	219	ChEMBL_31526 (CHEMBL646729)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 36-70
50011696	41	ChEMBL_27886 (CHEMBL640582)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 598-838
50011696	142	ChEMBL_32168 (CHEMBL646458)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.29-0.47
50011696	171	ChEMBL_27720 (CHEMBL639533)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 6.5-8.7
50011696	95	ChEMBL_31637 (CHEMBL649698)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 40-62
50011696	75	ChEMBL_30442 (CHEMBL641126)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 124-180
50011696	74	ChEMBL_30441 (CHEMBL641125)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 118-173
50011696	88	ChEMBL_30584 (CHEMBL645702)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 43-58
50011696	44	ChEMBL_27888 (CHEMBL640584)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 654-856
50011696	59	ChEMBL_30451 (CHEMBL640227)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 184-250
50011696	183	ChEMBL_29875 (CHEMBL644423)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.85-0.98
50011696	56	ChEMBL_31802 (CHEMBL643208)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 93-130
50011696	87	ChEMBL_30445 (CHEMBL641129)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 140-186
50011696	221	ChEMBL_31666 (CHEMBL644409)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 33-48
50011696	176	ChEMBL_27728 (CHEMBL645024)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 215-289
50011696	148	ChEMBL_30429 (CHEMBL640273)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 19-27
50011696	205	ChEMBL_27731 (CHEMBL645027)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 237-384
50011696	40	ChEMBL_32176 (CHEMBL647238)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.46-0.70
50011696	201	ChEMBL_27735 (CHEMBL645031)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 253-401
50011696	161	ChEMBL_31644 (CHEMBL649705)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 71-111
50011696	14	ChEMBL_32188 (CHEMBL648968)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.71-0.91
50011696	78	ChEMBL_30582 (CHEMBL645700)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 37-63
50011696	180	ChEMBL_31671 (CHEMBL645046)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 70-130
50011696	23	ChEMBL_30592 (CHEMBL641164)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 88-165
50011696	222	ChEMBL_27730 (CHEMBL645026)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 222-400
50011696	141	ChEMBL_31640 (CHEMBL649701)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 47-93
50011696	84	ChEMBL_30447 (CHEMBL875243)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 152-216
50011696	212	ChEMBL_31661 (CHEMBL649001)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 174-230
50011696	6	ChEMBL_27892 (CHEMBL640383)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells
50011696	240	ChEMBL_29887 (CHEMBL641958)	Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells
50011696	158	ChEMBL_32023 (CHEMBL649059)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.11-0.18
50011696	243	ChEMBL_29882 (CHEMBL641781)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 3.05-3.78
50011696	147	ChEMBL_31643 (CHEMBL649704)	Displacement of [3H]SCH-58,261 from human Adenosine A2A receptor expressed in HEK293 cells; range 543-820
50011696	101	ChEMBL_30438 (CHEMBL640942)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 115-161
50011696	93	ChEMBL_30430 (CHEMBL640274)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 262-352
50011696	194	ChEMBL_31532 (CHEMBL644483)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 2.0-4.3
50011696	133	ChEMBL_32161 (CHEMBL646451)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.23-0.40
50011696	19	ChEMBL_30596 (CHEMBL641830)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 157-268
50011696	203	ChEMBL_27733 (CHEMBL645029)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 245-319
50011696	92	ChEMBL_31638 (CHEMBL649699)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 40-96
50011696	42	ChEMBL_32175 (CHEMBL647237)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.42-0.62
50011696	35	ChEMBL_30599 (CHEMBL641833)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 226-301
50011696	138	ChEMBL_27717 (CHEMBL875784)	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 269-326
50011696	178	ChEMBL_29877 (CHEMBL873038)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 1.42-1.79
50011696	55	ChEMBL_31801 (CHEMBL643207)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 880-1682
50011696	104	ChEMBL_30572 (CHEMBL649884)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 206-282
50011696	64	ChEMBL_31518 (CHEMBL646721)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 24-48
50011696	82	ChEMBL_30581 (CHEMBL649892)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 34-62
50011696	83	ChEMBL_30586 (CHEMBL645704)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 56-103
50011696	156	ChEMBL_32022 (CHEMBL649058)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.10-0.18
50011696	65	ChEMBL_31513 (CHEMBL646716)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 114-170
50011696	39	ChEMBL_27889 (CHEMBL640585)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 724-889
50011696	124	ChEMBL_32154 (CHEMBL646444)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.16-0.28
50011696	181	ChEMBL_29874 (CHEMBL644422)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.82-1.02
50011696	236	ChEMBL_27748 (CHEMBL641984)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 367-453
50011696	86	ChEMBL_30587 (CHEMBL646322)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 57-105
50011696	15	ChEMBL_27897 (CHEMBL640557)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 785-1341
50011696	81	ChEMBL_30580 (CHEMBL649891)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 32-51
50011696	119	ChEMBL_31652 (CHEMBL648828)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 103-140
50011696	48	ChEMBL_30590 (CHEMBL641162)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 67-141
50011696	200	ChEMBL_27736 (CHEMBL645032)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 262-814
50011696	246	ChEMBL_29883 (CHEMBL641782)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 3.2-4.3
50011696	31	ChEMBL_27883 (CHEMBL640579)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 525-691
50011696	26	ChEMBL_30593 (CHEMBL641165)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 89-116
50011696	54	ChEMBL_31800 (CHEMBL643206)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 830-1310
50011696	179	ChEMBL_29876 (CHEMBL644424)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.86-1.09
50011696	228	ChEMBL_31669 (CHEMBL645044)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 552-839
50011696	32	ChEMBL_32173 (CHEMBL647235)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.39-0.54
50011696	106	ChEMBL_30434 (CHEMBL640938)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 105-170
50011696	216	ChEMBL_31524 (CHEMBL646727)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 332-426
50011696	126	ChEMBL_31657 (CHEMBL648997)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 140-186
50011696	241	ChEMBL_29888 (CHEMBL641959)	Displacement of [3]-MRE-3008F20 from human Adenosine A3 receptor expressed in CHO cells (95% confidence limits)
50011696	77	ChEMBL_30440 (CHEMBL640944)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 118-146
50011696	175	ChEMBL_29879 (CHEMBL644426)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 2.0-3.1
50011696	184	ChEMBL_29872 (CHEMBL645884)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.77-0.97
50011696	33	ChEMBL_27884 (CHEMBL640580)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 552-676
50011696	165	ChEMBL_31647 (CHEMBL648202)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 8-18
50011696	127	ChEMBL_31658 (CHEMBL648998)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 146-220
50011696	170	ChEMBL_27721 (CHEMBL639534)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 885-1163
50011696	191	ChEMBL_29871 (CHEMBL645883)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.77-0.96
50011696	173	ChEMBL_27722 (CHEMBL645018)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 150-207
50011696	68	ChEMBL_31514 (CHEMBL646717)	Displacement of [3H]SCH-58,261 from human Adenosine A2A receptor expressed in HEK293 cells; range 122-187
50011696	63	ChEMBL_31519 (CHEMBL646722)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 240-388
50011696	58	ChEMBL_31511 (CHEMBL647496)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 103-142
50011696	20	ChEMBL_30595 (CHEMBL641829)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells (95% confidence limits)
50011696	139	ChEMBL_32162 (CHEMBL646452)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.24-0.48
50011696	114	ChEMBL_32159 (CHEMBL646449)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.22-0.40
50011696	11	ChEMBL_32181 (CHEMBL647242)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.59-0.83
50011696	220	ChEMBL_31665 (CHEMBL649005)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 300-414
50011696	185	ChEMBL_31538 (CHEMBL644489)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 5.5-10.9
50011696	96	ChEMBL_30578 (CHEMBL649889)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 26-45
50011696	37	ChEMBL_27880 (CHEMBL875254)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 453-609
50011696	18	ChEMBL_32186 (CHEMBL648966)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.65-1.58
50011696	155	ChEMBL_32021 (CHEMBL649057)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.08-0.24
50011696	143	ChEMBL_30427 (CHEMBL640271)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 128-156
50011696	112	ChEMBL_30576 (CHEMBL876563)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 244-373
50011696	43	ChEMBL_27885 (CHEMBL640581)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 589-866
50011696	144	ChEMBL_32169 (CHEMBL646459)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.31-0.56
50011696	172	ChEMBL_27723 (CHEMBL645019)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 156-258
50011696	131	ChEMBL_27715 (CHEMBL639529)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 213-281
50011696	28	ChEMBL_32171 (CHEMBL646461)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.37-0.50
50011696	67	ChEMBL_31515 (CHEMBL646718)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 123-162
50011696	198	ChEMBL_27738 (CHEMBL644205)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 275-386
50011696	145	ChEMBL_31641 (CHEMBL649702)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 48-78
50011696	193	ChEMBL_31535 (CHEMBL644486)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 3.0-10.8
50011696	150	ChEMBL_32165 (CHEMBL646455)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.27-0.34
50011696	226	ChEMBL_31668 (CHEMBL645043)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 511-648
50011696	196	ChEMBL_31530 (CHEMBL646733)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 130-279
50011696	149	ChEMBL_32164 (CHEMBL646454)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.25-0.38
50011696	128	ChEMBL_31655 (CHEMBL648831)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 120-155
50011696	192	ChEMBL_31534 (CHEMBL644485)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 2.7-7.8
50011696	245	ChEMBL_29884 (CHEMBL641783)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 31-50
50011696	34	ChEMBL_32174 (CHEMBL647236)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.40-0.62
50011696	66	ChEMBL_31512 (CHEMBL646715)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 108-163
50011696	189	ChEMBL_31536 (CHEMBL644487)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 3.7-117
50011696	207	ChEMBL_27739 (CHEMBL644206)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 290-418
50011696	214	ChEMBL_31523 (CHEMBL646726)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 312-515
50011696	129	ChEMBL_31656 (CHEMBL648832)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 1220-1590
50011696	2	ChEMBL_32184 (CHEMBL648964)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.63-1.0
50011696	76	ChEMBL_30589 (CHEMBL641161)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 67-115
50011696	242	ChEMBL_29880 (CHEMBL644427)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 2.7-3.4
50011696	12	ChEMBL_27891 (CHEMBL640382)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 264-463
50011696	229	ChEMBL_31799 (CHEMBL643205)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 83-120
50011696	238	ChEMBL_27741 (CHEMBL644208)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 314-536
50011696	71	ChEMBL_30443 (CHEMBL641127)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 125-218
50011696	206	ChEMBL_29869 (CHEMBL645881)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.74-1.67
50011696	46	ChEMBL_27887 (CHEMBL640583)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 601-888
50011696	47	ChEMBL_32177 (CHEMBL647239)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.49-0.64
50011696	109	ChEMBL_30436 (CHEMBL640940)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 107-210
50011696	16	ChEMBL_32187 (CHEMBL648967)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.70-0.92
50011696	99	ChEMBL_31639 (CHEMBL649700)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 402-608
50011696	102	ChEMBL_30439 (CHEMBL640943)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 116-134
50011696	100	ChEMBL_30433 (CHEMBL640937)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 91-148
50011696	187	ChEMBL_29873 (CHEMBL644421)	Displacement of [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; range 0.82-1.01
50011696	107	ChEMBL_30574 (CHEMBL649886)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 213-296
50011696	224	ChEMBL_31667 (CHEMBL645042)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 351-415
50011696	122	ChEMBL_32156 (CHEMBL646446)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.21-0.28
50011696	167	ChEMBL_27724 (CHEMBL645020)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 180-345
50011696	163	ChEMBL_31645 (CHEMBL649706)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 73-138
50011696	51	ChEMBL_27878 (CHEMBL640576)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 389-640
50011696	25	ChEMBL_30594 (CHEMBL641828)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells
50011696	218	ChEMBL_31525 (CHEMBL646728)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 34-50
50011696	108	ChEMBL_30435 (CHEMBL640939)	Displacement of [3H]-DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 107-172
50011696	237	ChEMBL_27749 (CHEMBL641985)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 379-535
50011696	204	ChEMBL_27732 (CHEMBL645028)	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 240-368
50011696	50	ChEMBL_27879 (CHEMBL873044)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 406-616
50011696	45	ChEMBL_32178 (CHEMBL647240)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.51-0.70
50011696	110	ChEMBL_30575 (CHEMBL649887)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 235-347
50011696	248	ChEMBL_29885 (CHEMBL641784)	Displacement of specific [3H]MRE3008-F20 binding at human Adenosine A3 receptor expressed in HEK cells; value ranges from 39-55
50011696	27	ChEMBL_27881 (CHEMBL640577)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 509-712
50011696	13	ChEMBL_27898 (CHEMBL640558)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 928-1297
50011696	174	ChEMBL_27729 (CHEMBL645025)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 216-412
50011696	239	ChEMBL_27740 (CHEMBL644207)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 294-480
50011696	217	ChEMBL_31664 (CHEMBL649004)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 30-54
50011696	235	ChEMBL_27747 (CHEMBL641983)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 358-468
50011696	231	ChEMBL_27743 (CHEMBL641979)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 332-479
50011696	36	ChEMBL_32170 (CHEMBL646460)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.32-0.50
50011696	70	ChEMBL_27450 (CHEMBL641816)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 245-370
50011696	118	ChEMBL_32158 (CHEMBL646448)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.22-0.34
50011696	61	ChEMBL_31517 (CHEMBL646720)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 18-33
50011696	103	ChEMBL_30571 (CHEMBL649883)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 187-265
50011696	169	ChEMBL_27726 (CHEMBL645022)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 198-382
50011696	244	ChEMBL_29881 (CHEMBL641780)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 22-41
50011696	1	ChEMBL_27894 (CHEMBL640554)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 323-378
50011696	89	ChEMBL_30446 (CHEMBL641130)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 149-204
50011696	22	ChEMBL_30597 (CHEMBL641831)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 181-273
50011696	5	ChEMBL_32182 (CHEMBL647243)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.61-0.83
50011696	208	ChEMBL_31527 (CHEMBL646730)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 362-445
50011696	140	ChEMBL_30428 (CHEMBL640272)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 1637-2582
50011696	233	ChEMBL_27745 (CHEMBL641981)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 346-586
50011696	121	ChEMBL_31650 (CHEMBL648205)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells
50011696	69	ChEMBL_31509 (CHEMBL647494)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 83-120
50011696	168	ChEMBL_27727 (CHEMBL645023)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 210-376
50011696	160	ChEMBL_32025 (CHEMBL649061)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.13-0.20
50011696	120	ChEMBL_32155 (CHEMBL646445)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.17-0.24
50011696	195	ChEMBL_31533 (CHEMBL644484)	Inhibition of IB-MECA agonist-mediated cAMP production in CHO cell membranes expressing human Adenosine A3 receptor; range 2.7-6.6
50011696	79	ChEMBL_30583 (CHEMBL645701)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 40-69
50011696	111	ChEMBL_30437 (CHEMBL640941)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 115-143
50011696	230	ChEMBL_27742 (CHEMBL644209)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 330-478
50011696	4	ChEMBL_32185 (CHEMBL648965)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.64-0.86
50011696	182	ChEMBL_31672 (CHEMBL645047)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 8.7-10.2
50011696	135	ChEMBL_32160 (CHEMBL646450)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.23-0.36
50011696	123	ChEMBL_32153 (CHEMBL646443)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.15-0.28
50011696	209	ChEMBL_31528 (CHEMBL646731)	Inhibition of IB-MECA agonist-mediated cAMP production in membranes of CHO cells expressing human Adenosine A3 receptor; range 1.2-4.9
50011696	17	ChEMBL_27896 (CHEMBL640556)	Displacement of [3H]-DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 436-810
50011696	162	ChEMBL_32026 (CHEMBL644809)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.13-0.23
50011696	29	ChEMBL_27882 (CHEMBL640578)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 512-698
50011696	24	ChEMBL_30591 (CHEMBL641163)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 76-98
50011696	73	ChEMBL_30588 (CHEMBL641160)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 65-94
50011696	151	ChEMBL_32166 (CHEMBL646456)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.27-0.43
50011696	186	ChEMBL_31670 (CHEMBL645045)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 65-92
50011696	7	ChEMBL_32183 (CHEMBL647244)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.61-0.84
50011696	134	ChEMBL_27719 (CHEMBL639532)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 436-810
50011696	91	ChEMBL_30577 (CHEMBL649888)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 25-40
50011696	146	ChEMBL_31642 (CHEMBL649703)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 51-55
50011696	113	ChEMBL_31653 (CHEMBL648829)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 112-177
50011696	125	ChEMBL_31659 (CHEMBL648999)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 160-210
50011696	3	ChEMBL_27895 (CHEMBL640555)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 330-486
50011696	62	ChEMBL_31516 (CHEMBL646719)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 134-190
50011696	21	ChEMBL_30598 (CHEMBL641832)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 188-320
50011696	213	ChEMBL_31662 (CHEMBL649002)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 199-311
50011696	38	ChEMBL_32179 (CHEMBL647241)	Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.52-0.68
50011696	232	ChEMBL_27744 (CHEMBL641980)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 345-465
50011696	210	ChEMBL_31660 (CHEMBL649000)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 162-200
50034221	7	ChEMBL_789499 (CHEMBL1924526)	Inhibition of COX1-mediated TXB2 production in human whole blood after 30 mins by competitive enzyme immunoassay
50034221	24	ChEMBL_789497 (CHEMBL1924524)	Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA
50034221	4	ChEMBL_789494 (CHEMBL1924521)	Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA
50034221	25	ChEMBL_789602 (CHEMBL1924643)	Inhibition of COX1-mediated TXB2 production in human whole blood after 5 hrs by competitive enzyme immunoassay
50011698	1	ChEMBL_220893 (CHEMBL824648)	In vitro transactivation using receptor transactivation assay against hPPAR gamma
50011698	2	ChEMBL_220887 (CHEMBL824642)	In vitro transactivation using receptor transactivation assay against hPPAR alpha
50011698	3	ChEMBL_220890 (CHEMBL824645)	In vitro transcriptional activation of hPPAR delta
50011701	2	ChEMBL_163499 (CHEMBL772411)	Binding affinity against RAS guanyl releasing protein using [3H]- PDBu as the labeled ligand
50011701	1	ChEMBL_161472 (CHEMBL770275)	Displacement of [3H]- PDBu from Protein kinase C delta C1b domain
50034221	13	ChEMBL_789605 (CHEMBL1924646)	Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calcium ionophore A23187-induced LTB4 production after 10 mins by ELISA in presence of 0.5% human serum albumin
50034221	9	ChEMBL_789500 (CHEMBL1924527)	Inhibition of COX1-mediated TXB2 production in human whole blood after 15 mins by competitive enzyme immunoassay
50011705	1	ChEMBL_45617 (CHEMBL655428)	Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hipp-L-Phe) as a substrate.
50034221	3	ChEMBL_789493 (CHEMBL1924520)	Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 4 hrs by ELISA
50034221	8	ChEMBL_789496 (CHEMBL1924523)	Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 11 hrs by ELISA
50034224	5	ChEMBL_789800 (CHEMBL1925061)	Inhibition of nucleophosmin-fused ALK autophosphorylation in human Karpas299 cells
50034224	1	ChEMBL_789799 (CHEMBL1925015)	Inhibition of ALK
50034224	6	ChEMBL_789802 (CHEMBL1925063)	Inhibition of GST-tagged intracellular domain of IR by homogeneous time-resolved fluorescence assay
50034226	1	ChEMBL_790033 (CHEMBL1926365)	Inhibition of human recombinant BACE1 using fluorescent Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dnp)-OH peptide as substrate after 1 hr by spectroflurorimeter analysis
50034226	2	ChEMBL_790034 (CHEMBL1926366)	Inhibition of human BACE1-mediated amyloid beta 42 secretion in human SKNBE2 cells expressing human APP695 after 18 hrs by sandwich alphalisa assay
50034226	4	ChEMBL_790035 (CHEMBL1926367)	Inhibition of human BACE1-mediated amyloid beta TOT secretion in human SKNBE2 cells expressing human APP695 after 18 hrs by sandwich alphalisa assay
50034227	3	ChEMBL_790225 (CHEMBL1925618)	Antagonist activity at P2X7 receptor in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL1-beta production treated 30 mins before LPS challenge measured after 3 hrs by ELISA
50034233	150	ChEMBL_793855 (CHEMBL1932828)	Inhibition of CDK9/cyclin T1
50034233	154	ChEMBL_793955 (CHEMBL1931547)	Inhibition of PKG1beta
50034233	155	ChEMBL_793947 (CHEMBL1931539)	Inhibition of PKCbeta2
50034233	156	ChEMBL_793965 (CHEMBL1931557)	Inhibition of RON
50034233	157	ChEMBL_793856 (CHEMBL1932829)	Inhibition of CHK1
50034233	158	ChEMBL_793964 (CHEMBL1931556)	Inhibition of ROCK-2
50034233	159	ChEMBL_793919 (CHEMBL1931511)	Inhibition of MINK
50011707	4	ChEMBL_104744 (CHEMBL710744)	Inhibition of Matrix metalloprotease-3 (MMP-3)
50034233	151	ChEMBL_793854 (CHEMBL1932827)	Inhibition of CDK5/p35
50011707	2	ChEMBL_63592 (CHEMBL675239)	Inhibition of heparin-binding epidermal growth factor (HB-EGF) shedding
50034233	160	ChEMBL_793945 (CHEMBL1931537)	Inhibition of PKCalpha
50034233	161	ChEMBL_793950 (CHEMBL1931542)	Inhibition of PKCeta
50034233	119	ChEMBL_793954 (CHEMBL1931546)	Inhibition of PKG1alpha
50034233	111	ChEMBL_793946 (CHEMBL1931538)	Inhibition of PKCbeta1
50034233	162	ChEMBL_793902 (CHEMBL1932875)	Inhibition of IR
50034233	163	ChEMBL_793891 (CHEMBL1932864)	Inhibition of FLT4
50034233	164	ChEMBL_794370 (CHEMBL1932335)	Inhibition of BRSK1
50034233	165	ChEMBL_793848 (CHEMBL1932821)	Inhibition of CAMK2beta
50034233	152	ChEMBL_793851 (CHEMBL1932824)	Inhibition of CDK2/cyclin A
50034233	148	ChEMBL_793853 (CHEMBL1932826)	Inhibition of CDK5/p25
50034233	166	ChEMBL_793867 (CHEMBL1932840)	Inhibition of DRAK1
50034233	167	ChEMBL_794350 (CHEMBL1932272)	Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured after 70 mins by liquid scintillation counter
50034233	149	ChEMBL_793852 (CHEMBL1932825)	Inhibition of CDK2/cyclin E
50034233	153	ChEMBL_793850 (CHEMBL1932823)	Inhibition of CDK1/cyclin B
50034236	12	ChEMBL_793028 (CHEMBL1932594)	Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence assay
50034237	7	ChEMBL_793267 (CHEMBL1931716)	Inhibition of BACE1
50034237	4	ChEMBL_793260 (CHEMBL1931709)	Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamine-induced cAMP accumulation after 5 hrs by luciferase reporter gene assay
50034237	8	ChEMBL_793266 (CHEMBL1931715)	Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamine-induced cAMP accumulation after 5 hrs by luciferase reporter gene assay
50034237	9	ChEMBL_793261 (CHEMBL1931710)	Inverse agonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamine-induced cAMP accumulation after 5 hrs by luciferase reporter gene assay
50034237	3	ChEMBL_793258 (CHEMBL1931707)	Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50034267	6	ChEMBL_791982 (CHEMBL1930042)	Inhibition of recombinant human MMP14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate pre-incubated for 4 hrs before substrate addition measured every 15 secs for 15 mins by fluorimetry
50034272	2	ChEMBL_791631 (CHEMBL1930855)	Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method
50011714	8	ChEMBL_90313 (CHEMBL698527)	Concentration which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using [3H]-kainic acid
50011714	1	ChEMBL_105737 (CHEMBL716136)	The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.
50011714	9	ChEMBL_106699 (CHEMBL714001)	The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 4 using established second messenger assay systems.
50011714	7	ChEMBL_104297 (CHEMBL709912)	The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 5 using established second messenger assay systems.
50011714	10	ChEMBL_90314 (CHEMBL698528)	Concentration which causes 50% reduction in receptor binding affinity against Ionotropic glutamate receptor ionotropic kainate using [3H]-kainic acid
50011714	4	ChEMBL_106216 (CHEMBL713204)	The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 2 using established second messenger assay systems.
50011714	2	ChEMBL_105738 (CHEMBL716137)	The compound was tested for the receptor binding affinity at Metabotropic glutamate receptor 1 using established second messenger assay systems.
50011716	2	ChEBML_65655	Binding affinity to CHO cells stably expressing human Endothelin A receptor.
50011716	1	ChEBML_63853	Binding affinity to CHO cells stably expressing human Endothelin B receptor.
50011717	6	ChEBML_159904	Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-layer chromatography assay
50034273	3	ChEMBL_791990 (CHEMBL1930050)	Competitive inhibition of human CHK1 using ATP as substrate by DELFIA
50011717	3	ChEMBL_51864 (CHEMBL665875)	Inhibition of the Arg120Ala murine COX-2 mutant enzyme
50034273	4	ChEMBL_791991 (CHEMBL1930051)	Competitive inhibition of human CHK2 using ATP as substrate by DELFIA
50011717	7	ChEMBL_157827 (CHEMBL769431)	Inhibition of the murine wild type Prostaglandin G/H synthase 2
50034290	7	ChEMBL_793710 (CHEMBL1932524)	Agonist activity at TRPV1
50034290	5	ChEMBL_793709 (CHEMBL1932523)	Inhibition of TRPV1
50034293	3	ChEMBL_793787 (CHEMBL1932648)	Displacement of [3H]glycine from rat GlyT1 expressed in rat C6 cells after 30 mins by scintillation counting
50011719	2	ChEMBL_79961 (CHEMBL687732)	Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 protease
50034296	8	ChEMBL_793549 (CHEMBL1932300)	Agonist activity at human recombinant delta opioid receptor expressed in human HEK293 cells by [35S]GTPgammaS binding assay
50034296	4	ChEMBL_793541 (CHEMBL1932292)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum membranes
50034300	2	ChEMBL_794139 (CHEMBL1931877)	Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quencher substrate after 35 mins by FRET assay
50011719	1	ChEBML_79958	Tested in vitro for potential potency against PI-resistant HIV virus by A-44 mutant enzyme variant
50034302	3	ChEMBL_794211 (CHEMBL1932036)	Inhibition of human cytosolic 17beta-HSD1 in cell-free system using [2,4,6,7-3H]E1 as substrate after 10 mins by radioflow detector
50034307	1	ChEMBL_795810 (CHEMBL1936697)	Inhibition of human RSK2
50011723	1	ChEBML_144794	In vitro inhibition of the human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate Suc-Ala-Pro-Ala-MCA
50011727	2	ChEBML_64945	Inhibitory activity against P-glycoprotein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.
50034307	14	ChEMBL_795816 (CHEMBL1937077)	Inhibition of human PRKD2
50034312	7	ChEMBL_795991 (CHEMBL1936263)	Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage after 40 mins by FRET assay
50034312	10	ChEMBL_796069 (CHEMBL1936939)	Inhibition of human MMP9
50034312	11	ChEMBL_796076 (CHEMBL1936946)	Inhibition of Clostridium botulinum BoNT/A light chain-mediated SNAP-25 substrate cleavage preincubated for 90 mins by FRET assay
50034312	8	ChEMBL_795992 (CHEMBL1936264)	Inhibition of Clostridium botulinum BoNT/A light chain after 40 mins by HPLC assay
50034318	9	ChEMBL_795522 (CHEMBL1935845)	Inhibition of INSR
50034318	10	ChEMBL_795516 (CHEMBL1935839)	Inhibition of Her-2 by time-resolved fluorescence assay
50034318	6	ChEMBL_795532 (CHEMBL1935855)	Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis
50034327	4	ChEMBL_795447 (CHEMBL1937452)	Displacement of [125I]GLP-1 from human GLP1R
50011732	1	ChEBML_69830	FPT inhibitory activity was determined by the ability to inhibit the transfer of [3H]farnesyl from farnesyl pyrophosphate to H-ras-CLVS
50034327	5	ChEMBL_795440 (CHEMBL1937445)	Displacement of [125I]Glucagon-Cex from human GCGR
50034327	6	ChEMBL_795449 (CHEMBL1937454)	Displacement of [125I]GIP from human GIPR
50034328	32	ChEMBL_795640 (CHEMBL1936070)	Inhibition of Chk1
50034328	33	ChEMBL_795561 (CHEMBL1935939)	Inhibition of INSR
50034331	1	ChEMBL_795749 (CHEMBL1936378)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA
50034331	5	ChEMBL_795751 (CHEMBL1936638)	Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma
50034331	6	ChEMBL_795752 (CHEMBL1936639)	Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 50 % human plasma
50034333	1	ChEMBL_796286 (CHEMBL1937601)	Inhibition of BACE1 in cell-free system
50034333	6	ChEMBL_796287 (CHEMBL1937602)	Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of soluble APPbeta_NF cleavage
50034348	11	ChEMBL_796150 (CHEMBL1937514)	Inhibition of human MMP-9
50034348	12	ChEMBL_796143 (CHEMBL1937507)	Inhibition of human MMP-12
50034355	39	ChEMBL_795082 (CHEMBL1936508)	Inhibition of CDK1/cyclin B
50034355	42	ChEMBL_795160 (CHEMBL1936632)	Inhibition of VEGFR3
50034355	43	ChEMBL_795079 (CHEMBL1936505)	Inhibition of Aurora-B
50034355	41	ChEMBL_795084 (CHEMBL1936510)	Inhibition of CDK4/cyclin D1
50034355	38	ChEMBL_795072 (CHEMBL1936498)	Inhibition of CDK2/cyclin A
50011736	1	ChEBML_61636	Tested for the binding constant against cloned human Dopamine receptor D2L in HEK cells by displacing [3H]spiperone
50011736	2	ChEBML_62429	Tested for the binding constant against cloned human Dopamine receptor D3 in HEK cells by displacing [3H]spiperone
50011738	6	ChEMBL_71669 (CHEMBL687556)	Inhibition of human geranylgeranyl transferase I
50011738	1	ChEBML_69831	Inhibition of human farnesyl transferase
50011738	7	ChEMBL_71666 (CHEMBL871940)	Tested for the inhibition of Candida GGTase I in Candida albicans
50011738	8	ChEMBL_71667 (CHEMBL687554)	Inhibition of Candida geranylgeranyl transferase I at 3 uM
50011738	9	ChEMBL_71665 (CHEMBL687553)	Inhibition of Candida geranylgeranyl transferase I
50034355	40	ChEMBL_795083 (CHEMBL1936509)	Inhibition of CDK2/cyclin E
50034355	44	ChEMBL_795093 (CHEMBL1936519)	Inhibition of IR
50034355	45	ChEMBL_795086 (CHEMBL1936512)	Inhibition of CHK1
50034359	12	ChEMBL_794700 (CHEMBL1937309)	Inhibition of VEGFR3
50034359	13	ChEMBL_794708 (CHEMBL1937317)	Inhibition of CDK1
50034360	7	ChEMBL_794804 (CHEMBL1935987)	Inhibition of insulin receptor
50034360	3	ChEMBL_794849 (CHEMBL1936085)	Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay
50034360	4	ChEMBL_794848 (CHEMBL1936031)	Inhibition of human recombinant FAK expressed in baculovirus expression system after 30 mins by time resolved fluorescence assay
50034360	8	ChEMBL_794826 (CHEMBL1936009)	Inhibition of JAK2 in GM-CSF-stimulated human TF1 cells preincubated for 1 hr prior to challenge
50034360	9	ChEMBL_794825 (CHEMBL1936008)	Inhibition of FAK in human 293GT cells after 1 hr by luminescence-based spectrophotometry
50034364	2	ChEMBL_795271 (CHEMBL1937031)	Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]-cAMP after 30 mins by liquid scintillation counting
50034364	1	ChEMBL_795270 (CHEMBL1937030)	Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells
50034364	8	ChEMBL_795327 (CHEMBL1937183)	Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]-cAMP after 30 mins by liquid scintillation counting in presence of 100 uM phenylboronic acid
50034364	7	ChEMBL_795334 (CHEMBL1937190)	Agonist activity at recombinant human beta2 adrenoceptor expressed in DU145 cells assessed as increase in cAMP accumulation
50034364	3	ChEMBL_795274 (CHEMBL1937034)	Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM boric acid
50034364	4	ChEMBL_795325 (CHEMBL1937181)	Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T cells assessed as increase in IBMX-induced cAMP accumulation using [3H]-cAMP after 30 mins by liquid scintillation counting in presence of 100 uM boric acid
50034364	5	ChEMBL_795326 (CHEMBL1937182)	Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM phenylboronic acid
50034372	2	ChEMBL_795048 (CHEMBL1936474)	Inhibition of BACE1 using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated 1 hr before substrate addition measured after 15 mins by FRET assay
50034375	1	ChEMBL_795222 (CHEMBL1936881)	Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins by fluorescence quenching assay
50034375	2	ChEMBL_795224 (CHEMBL1936883)	Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Cornish-Bowden plots analysis
50034375	4	ChEMBL_795275 (CHEMBL1937035)	Inhibition of recombinant human BACE1 assessed as dissociation constant of enzyme-substrate-inhibitor complex using Rh-EVNLDAEFK as substrate by Dixon and Cornish-Bowden plots analysis
50034385	4	ChEMBL_797073 (CHEMBL1944394)	Inhibition of GST-tagged c-Met expressed in baculovirus system using phospholipase C-gamma as substrate after 30 mins by time-resolved fluorescence assay
50034385	5	ChEMBL_796984 (CHEMBL1944059)	Inhibition of insulin receptor after 20 mins by time-resolved fluorescence assay
50034385	2	ChEMBL_796983 (CHEMBL1944058)	Inhibition of c-Met phosphorylation in human GTL16 cells after 2 hrs by immunoassay
50034386	4	ChEMBL_797104 (CHEMBL1944462)	Binding affinity to GlyT1 in rat cortical brain homogenate after 60 mins by gamma counting
50034386	5	ChEMBL_797101 (CHEMBL1944459)	Inhibition of human GlyT1 expressed in CHO cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillation counting
50034386	1	ChEMBL_797100 (CHEMBL1944458)	Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillation counting
50034387	5	ChEMBL_799226 (CHEMBL1941191)	Inhibition of platelet COX1-mediated TXB2 production in LPS-induced human whole blood after 60 mins by radioimmunoassay
50011742	6	ChEBML_155424	In vitro inhibition of Plasmin.
50011742	1	ChEBML_48994	In vitro inhibition of Coagulation factor Xa.
50011742	2	ChEBML_226014	In vitro inhibition of plasminogen activator urokinase after a 30 min incubation period.
50011742	5	ChEBML_209094	In vitro inhibition of thrombin.
50011742	4	ChEBML_210649	In vitro inhibition of trypsin.
50011742	3	ChEMBL_226014 (CHEMBL842155)	In vitro inhibition of plasminogen activator urokinase after a 30 min incubation period.
50034389	12	ChEMBL_799125 (CHEMBL1942109)	Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	13	ChEMBL_799128 (CHEMBL1942112)	Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034391	16	ChEMBL_799146 (CHEMBL1942130)	Inhibition of human recombinant MMP14 after 60 mins by fluorimetry
50034391	10	ChEMBL_799144 (CHEMBL1942128)	Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry
50034391	9	ChEMBL_799237 (CHEMBL1941202)	Inhibition of human MMP13-mediated degradation of bovine nasal cartilage after 2 hrs by ELISA in the presence of 10% human serum
50034391	8	ChEMBL_799236 (CHEMBL1941201)	Inhibition of AMPA-activated MMP13-mediated degradation of FITC-labeled type2 collagen after 1.5 hrs by fluorimetry
50034391	17	ChEMBL_799154 (CHEMBL1942204)	Inhibition of human recombinant MMP9 after 30 mins by fluorimetry
50034391	18	ChEMBL_799149 (CHEMBL1942133)	Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albumin
50034393	3	ChEMBL_799412 (CHEMBL1942164)	Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human SKOV3 cells after 2 hrs by ELISA
50011746	2	ChEBML_72874	In vitro inhibitory activity against human glucagon receptor using [127I]-labeled glucagon
50011746	1	ChEBML_73019	In vitro inhibitory activity against rat glucagon receptor using [127I]-labeled glucagon
50011748	1	ChEBML_39510	Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes
50034393	4	ChEMBL_799413 (CHEMBL1942165)	Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human A549 cells after 2 hrs by ELISA
50034393	12	ChEMBL_799341 (CHEMBL1942054)	Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence-based spectrophotometry
50034393	5	ChEMBL_799415 (CHEMBL1942167)	Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA
50034395	6	ChEMBL_799824 (CHEMBL1941530)	Inhibition of recombinant BACE1 expressed in baculovirus system using M-2420 as substrate preincubated for 1 hr before substrate addition measured after 15 mins by spectrofluorometric analysis
50034395	3	ChEMBL_799820 (CHEMBL1941526)	Inhibition of recombinant BACE1 expressed in baculovirus system using panvera peptide as substrate after 60 mins by spectrofluorometric analysis
50034395	7	ChEMBL_799823 (CHEMBL1941529)	Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation assessed as fibril formation after 24 hrs by thioflavin T-based fluorometric assay
50034412	7	ChEMBL_799949 (CHEMBL1941655)	Binding affinity to delta opioid receptor
50034412	8	ChEMBL_799950 (CHEMBL1941656)	Binding affinity to VAChT
50034415	11	ChEMBL_797289 (CHEMBL1942781)	Displacement of [3H]cAMP from PDE5A1 by competitive binding assay
50034416	9	ChEMBL_797347 (CHEMBL1942923)	Inhibition of aurora-B
50011759	5	ChEMBL_27998 (CHEMBL642728)	Inhibition of Activin like receptor kinase 5, TGF beta type I receptor
50034417	15	ChEMBL_798829 (CHEMBL1943705)	Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	16	ChEMBL_797373 (CHEMBL1942949)	Inhibition of CYP2D6
50011760	3	ChEMBL_140875 (CHEMBL752506)	Inhibition by displacing [3H]-Glycine of N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes
50034417	17	ChEMBL_798828 (CHEMBL1943704)	Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50011760	2	ChEMBL_140874 (CHEMBL752505)	Displacement of [3H]glycine from N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes
50034417	18	ChEMBL_798835 (CHEMBL1943711)	Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	14	ChEMBL_797374 (CHEMBL1942950)	Inhibition of CYP3A4
50034417	19	ChEMBL_797370 (CHEMBL1942946)	Inhibition of CYP1A2
50034417	20	ChEMBL_798833 (CHEMBL1943709)	Inhibition of MMP9 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	21	ChEMBL_798834 (CHEMBL1943710)	Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50011760	4	ChEMBL_141003 (CHEMBL747011)	Percent Inhibition by displacing [3H]glycine of N-methyl-D-aspartate glutamate receptor 1 in rat cortical membranes
50011761	4	ChEMBL_218213 (CHEMBL824383)	Inhibition of fibrinogen binding to recombinant human platelet glycoprotein alpha IIb beta3 integrin
50011761	3	ChEMBL_212254 (CHEMBL876415)	Inhibition of integrin alpha-v/beta-5 mediated UCLAP-3 cell adhesion on vitronectin
50011761	7	ChEMBL_217966 (CHEMBL824085)	Inhibition of fibronectin binding to recombinant human alphaV-beta6 integrin
50011761	5	ChEMBL_212252 (CHEMBL876414)	Inhibition of integrin alpha-v/beta-6 mediated UCLAP-3 cell adhesion to fibronectin
50011761	6	ChEMBL_98915 (CHEMBL708724)	Inhibition of integrin alpha-v/beta-3 mediated M21 cell adhesion to vitronectin with monoclonal antibody P1F6
50011761	1	ChEMBL_217963 (CHEMBL824082)	Inhibition of vitronectin binding to recombinant human alphaV-beta5 integrin
50011761	2	ChEMBL_217816 (CHEMBL821723)	Inhibition of vitronectin binding to recombinant human alphaV-beta3 integrin
50034417	22	ChEMBL_797371 (CHEMBL1942947)	Inhibition of CYP2C9
50011767	1	ChEMBL_42740 (CHEMBL654539)	Displacement of [125I]-salmon calcitonin (sCT) from calcitonin receptor of rat brain
50034417	23	ChEMBL_797372 (CHEMBL1942948)	Inhibition of CYP2C19
50011769	1	ChEMBL_85818 (CHEMBL697095)	Affinity for displacement of [125I]iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells
50011769	3	ChEMBL_87238 (CHEMBL696458)	Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methyl-histamine
50011769	2	ChEMBL_85817 (CHEMBL697094)	Affinity for displacement of [125I]iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells
50034422	2	ChEMBL_797665 (CHEMBL1943885)	Inhibition of human recombinant BACE1 by FRET assay
50034423	4	ChEMBL_797666 (CHEMBL1943886)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50023736	3	ChEMBL_486596 (CHEMBL1021775)	Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically
50023736	7	ChEMBL_486571 (CHEMBL1018340)	Inhibition of rat intestinal maltase assessed as glucose release by Glucose B-test
50023736	2	ChEMBL_486577 (CHEMBL1020971)	Inhibition of rat intestinal sucrase assessed as glucose release by Glucose B-test
50023736	1	ChEMBL_486579 (CHEMBL1020973)	Inhibition of rat intestinal isomaltase assessed as glucose release by Glucose B-test
50023736	8	ChEMBL_486583 (CHEMBL1020977)	Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release by spectrophotometrically
50023736	4	ChEMBL_486587 (CHEMBL1021766)	Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release by spectrophotometrically
50023736	5	ChEMBL_486585 (CHEMBL1020979)	Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release by spectrophotometrically
50023736	6	ChEMBL_486589 (CHEMBL1021768)	Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol release by spectrophotometrically
50034426	3	ChEMBL_798165 (CHEMBL1943382)	Inhibition of COX-1
50034431	3	ChEMBL_797688 (CHEMBL1943908)	Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells
50034439	4	ChEMBL_797727 (CHEMBL1944086)	Inhibition of PKCalpha
50034444	2	ChEMBL_797888 (CHEMBL1942575)	Inhibition of porcine kidney microsomal aminopeptidase N using L-Leu-p-nitroanilide as substrate pre-incubated for 30 mins prior substrate addition by UV-VIS spectrophotometry
50034445	2	ChEMBL_797974 (CHEMBL1942851)	Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay
50034445	1	ChEMBL_797973 (CHEMBL1942850)	Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50034445	6	ChEMBL_797975 (CHEMBL1942852)	Antagonist activity at non-inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by manual patch-clamp electrophysiological assay
50034453	4	ChEMBL_797636 (CHEMBL1943754)	Inhibition of recombinant human PDE5A using [3H]cAMP as substrate by scintillation proximity assay
50034453	5	ChEMBL_797637 (CHEMBL1943755)	Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay
50034454	5	ChEMBL_798424 (CHEMBL1944172)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced increase in intracellular calcium by Fluo4-AM based fluorometric assay
50011779	1	ChEBML_144001	Concentration that inhibited 50% of total specific binding of [125I]PYY ligand to human NPY-Y5 receptor
50011779	2	ChEBML_143689	Concentration that inhibited 50% of total specific binding of [125I]PYY ligand to human NPY-Y1 receptor
50011782	2	ChEBML_210290	In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes [reduced formation of TXB2 from prostaglandin H2(PGH2)]
50034454	3	ChEMBL_798426 (CHEMBL1944174)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of N-methyl-maleimide-induced current by patch clamp assay
50034454	6	ChEMBL_798427 (CHEMBL1944276)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of N-methyl-maleimide-induced current by patch clamp assay
50011784	2	ChEBML_3813	Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood.
50011784	1	ChEMBL_3813 (CHEMBL875097)	Inhibition of 5-lipoxygenase activity of compound evaluated as determined by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood.
50011784	6	ChEMBL_3831 (CHEMBL618016)	The 5-lipoxygenase activity by the inhibition of calcium ionophore-induced leukotriene B4 production in human blood.
50011784	3	ChEBML_159933	The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2
50034454	2	ChEMBL_798425 (CHEMBL1944173)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by Fluo4-AM based fluorometric assay
50011784	4	ChEMBL_159933 (CHEMBL769658)	The compound was evaluated for prostaglandin E2 inhibition using recombinant Prostaglandin G/H synthase 2
50034457	6	ChEMBL_798534 (CHEMBL1942331)	Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spectrometric analysis
50034457	3	ChEMBL_798530 (CHEMBL1942327)	Competitive inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ linked geraniol oxidation by fluorescence analysis
50034457	2	ChEMBL_798531 (CHEMBL1942328)	Mixed-type inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ linked geraniol oxidation by fluorescence analysis
50034457	4	ChEMBL_797744 (CHEMBL1944103)	Inhibition of AKR1B10-mediated farnesal metabolism in human HeLa cells preincubated for 2 hrs measured after 6 hrs following [1-14C]farnesol addition
50034464	3	ChEMBL_800323 (CHEMBL1948169)	Inhibition of COX1
50034464	4	ChEMBL_800325 (CHEMBL1948171)	Inhibition of COX2
50034468	4	ChEMBL_800278 (CHEMBL1948028)	Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured after 15 mins by ELISA
50034474	4	ChEMBL_800765 (CHEMBL1948101)	Inhibition of recombinant N-His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry
50034475	3	ChEMBL_800769 (CHEMBL1948105)	Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay
50034475	4	ChEMBL_800770 (CHEMBL1948106)	Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay
50034476	5	ChEMBL_800775 (CHEMBL1948222)	Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins measured after 10 mins by fluorescence analysis
50011787	2	ChEBML_139772	Binding affinity against human cloned Muscarinic acetylcholine receptor M2.
50011787	1	ChEMBL_139767 (CHEMBL748903)	Compound was tested for its binding affinity against cloned human Muscarinic acetylcholine receptor M2
50011788	1	ChEBML_139764	Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]N-methylscopolamine as radioligand
50011789	1	ChEBML_143991	Inhibition of 125 I-PYY binding to human Neuropeptide Y receptor type 5
50011789	2	ChEBML_143686	Compound was evaluated for the inhibitory activity against human Neuropeptide Y receptor type 1
50034479	68	ChEMBL_801392 (CHEMBL1948122)	Inhibition of HER4 using ATP as substrate
50034479	67	ChEMBL_801293 (CHEMBL1947842)	Inhibition of CDK4/D1 using ATP as substrate
50034479	69	ChEMBL_801317 (CHEMBL1947866)	Inhibition of RON using ATP as substrate
50034479	70	ChEMBL_801316 (CHEMBL1947865)	Inhibition of ROCK2 using ATP as substrate
50034479	71	ChEMBL_801239 (CHEMBL1947302)	Inhibition of CaMK2 using ATP as substrate
50034479	72	ChEMBL_801310 (CHEMBL1947859)	Inhibition of PKCalpha using ATP as substrate
50034479	19	ChEMBL_801306 (CHEMBL1947855)	Inhibition of FGFR3 using ATP as substrate
50034479	73	ChEMBL_801394 (CHEMBL1948124)	Inhibition of Ins1R using ATP as substrate
50034491	4	ChEMBL_801265 (CHEMBL1947328)	Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes
50011794	1	ChEMBL_51902 (CHEMBL666008)	Inhibition of cytochrome P450 3A4 enzyme; Range 1-2 uM
50011794	2	ChEBML_51901	Inhibition of cytochrome P450 3A4 enzyme
50034491	5	ChEMBL_801328 (CHEMBL1947877)	Inhibition of human ERG
50034510	3	ChEMBL_801824 (CHEMBL1947436)	Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay
50034510	4	ChEMBL_801825 (CHEMBL1947437)	Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay
50034513	2	ChEMBL_801839 (CHEMBL1947451)	Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent dye assay
50034528	4	ChEMBL_802299 (CHEMBL1949457)	Antagonist activity at human TRPA1 expressed in human IMR90 cells assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluorescence analysis
50034528	2	ChEMBL_802305 (CHEMBL1949463)	Antagonist activity at human TRPA1 expressed in CHO cells assessed as inhibition of calcium influx
50034531	2	ChEMBL_805476 (CHEMBL1955369)	Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma
50034531	3	ChEMBL_805477 (CHEMBL1955370)	Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin
50034531	5	ChEMBL_805475 (CHEMBL1955368)	Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin
50011797	2	ChEMBL_70238 (CHEMBL680293)	Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits
50011797	4	ChEMBL_70389 (CHEMBL683015)	Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-2-beta-3-gamma-2 subunits
50011797	3	ChEMBL_70704 (CHEMBL685340)	Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-5-beta-3-gamma-2 subunits
50011797	1	ChEMBL_70533 (CHEMBL681090)	Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha-3-beta-3-gamma-2 subunits
50034531	6	ChEMBL_805478 (CHEMBL1955371)	Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma
50034549	5	ChEMBL_805343 (CHEMBL1955236)	Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034549	6	ChEMBL_805341 (CHEMBL1955234)	Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034549	7	ChEMBL_805344 (CHEMBL1955237)	Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50011803	4	ChEMBL_225790 (CHEMBL844336)	Inhibitory concentration against bovine trypsin
50011803	2	ChEMBL_225585 (CHEMBL847601)	Inhibitory concentration against thrombin.
50011803	3	ChEMBL_49310 (CHEMBL663409)	Inhibitory concentration against human Coagulation factor Xa(fXa)
50011803	1	ChEMBL_49309 (CHEMBL663408)	Inhibitory concentration against human Coagulation factor Xa (fXa)
50011805	7	ChEMBL_155100 (CHEMBL762995)	Antiplasmodial activity IC50 against Plasmodium falciparum K1CB1 DHFR double-mutant (C59R/S10)
50011805	2	ChEMBL_55401 (CHEMBL668410)	Inhibition of the S108N mutant of dihydrofolate reductase (DHFR)
50011805	3	ChEMBL_55400 (CHEMBL668409)	Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR)
50011805	1	ChEMBL_55402 (CHEMBL668411)	Inhibition of the wild-type dihydrofolate reductase (DHFR)
50011805	6	ChEMBL_54281 (CHEMBL669874)	Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).
50011805	5	ChEMBL_54282 (CHEMBL669875)	Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).
50011805	4	ChEMBL_54435 (CHEMBL669638)	Cytotoxicity by selective inhibition against human dihydrofolate reductase (DHFR).
50011806	1	ChEMBL_226364 (CHEMBL847532)	Inhibition of [3H]paroxetine binding to serotonin transporter (SERT) of rat cortical membrane
50011806	3	ChEMBL_142783 (CHEMBL752158)	Inhibition of [3H]nisoxetine binding to norepinephrine transporter (NET) of rat cortical homogenates
50011806	2	ChEMBL_62957 (CHEMBL675677)	Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes
50034549	8	ChEMBL_805342 (CHEMBL1955235)	Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034558	7	ChEMBL_803863 (CHEMBL1954401)	Inhibition of human ERG by dofetilide binding assay
50034563	3	ChEMBL_804422 (CHEMBL1954849)	Inhibition of recombinant human BACE1 using Eu-CEVNLDAEFK-Qsy7 as substrate by HTRF assay
50011811	1	ChEMBL_62478 (CHEMBL677370)	Binding affinity for dopamine transporter
50011811	2	ChEMBL_198050 (CHEMBL805177)	Binding affinity for serotonin transporter
50011814	2	ChEMBL_156210 (CHEMBL767152)	Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay
50034563	5	ChEMBL_804606 (CHEMBL1953032)	Inhibition of BACE1 expressed in HEK293T cells co-transfected APP with NFEV mutation at proteolytic site assessed as amyloid EV40 secretion
50034563	1	ChEMBL_804603 (CHEMBL1953029)	Inhibition of BACE1
50034563	2	ChEMBL_804605 (CHEMBL1953031)	Inhibition of BACE1 using Rh-EVNLDAEFK-Quencher as substrate
50034563	4	ChEMBL_804451 (CHEMBL1955022)	Inhibition of recombinant human BACE1 expressed in CHO cells co-transfected with human APP with Swedish mutation assessed as amyloid beta1-40 secretion by alphaLISA technique
50034563	6	ChEMBL_804612 (CHEMBL1953038)	Inhibition of recombinant human BACE1 proteolytic activity
50034572	1	ChEMBL_802411 (CHEMBL1954854)	Antagonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx incubated for 5 mins prior to capsicin-induction by fluo-4-AM-based fluorimetry
50034572	5	ChEMBL_802410 (CHEMBL1954853)	Agonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry
50034572	4	ChEMBL_802415 (CHEMBL1954858)	Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as inhibition of AITC-induced calcium influx incubated for 5 mins prior to AITC-induction by fluo-4-AM-based fluorimetry
50034572	6	ChEMBL_802414 (CHEMBL1954857)	Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry
50011820	2	ChEMBL_159925 (CHEMBL769651)	Inhibitory effect on Prostaglandin G/H synthase 2 activity was evaluated in human whole blood as LPS-induced PGE-2 generation
50011821	1	ChEMBL_45176 (CHEMBL662661)	Inhibitory activity of compound against human Cathepsin D
50011822	1	ChEMBL_46812 (CHEMBL659698)	Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 in rat brain membranes.
50034573	2	ChEMBL_802417 (CHEMBL1954860)	Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgyline
50011826	7	ChEMBL_29891 (CHEMBL641962)	Inhibition of [3H]PSB-11 binding to human Adenosine A3 receptor
50011826	10	ChEMBL_30604 (CHEMBL642011)	Inhibition of [3H]ZM-241385 binding to human adenosine A2B receptor
50011826	3	ChEMBL_27902 (CHEMBL640562)	Inhibition of [3H]CCPA binding against human Adenosine A1 receptor
50011826	11	ChEMBL_30137 (CHEMBL641340)	Inhibition of [3H]MSX-2 binding to rat adenosine A2A receptor
50011826	12	ChEMBL_29625 (CHEMBL636643)	Inhibition of [3H]CCPA binding to rat adenosine A1 receptor
50011826	6	ChEMBL_31375 (CHEMBL644667)	Binding affinity towards human Adenosine A2A receptor
50011826	4	ChEMBL_30417 (CHEMBL645971)	Binding affinity towards human Adenosine A2B receptor
50011826	2	ChEMBL_31854 (CHEMBL643931)	Binding affinity for human Adenosine A3 receptor
50011826	9	ChEMBL_30010 (CHEMBL641301)	Binding affinity towards rat Adenosine A2A receptor
50011826	5	ChEMBL_27587 (CHEMBL644139)	Binding affinity towards human Adenosine A1 receptor
50011826	8	ChEMBL_29330 (CHEMBL643144)	Binding affinity towards rat Adenosine A1 receptor
50011826	1	ChEMBL_27903 (CHEMBL640563)	Inhibition of [3H]CCPA binding to human recombinant Adenosine A1 receptor
50034577	2	ChEMBL_802809 (CHEMBL1953543)	Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA
50034577	1	ChEMBL_802808 (CHEMBL1953542)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA
50034577	5	ChEMBL_802810 (CHEMBL1953544)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of 50% plasma
50034589	24	ChEMBL_803523 (CHEMBL1953271)	Inhibition of INSR
50034589	25	ChEMBL_803536 (CHEMBL1953284)	Inhibition of CDK1
50034594	6	ChEMBL_804069 (CHEMBL1952464)	Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells
50011828	1	ChEMBL_153614 (CHEMBL759726)	Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha
50023743	1	ChEMBL_480323 (CHEMBL1021665)	Inhibition of human thrombin
50034594	7	ChEMBL_804070 (CHEMBL1952635)	Agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by [35S]GTPgamma binding assay
50034594	16	ChEMBL_804127 (CHEMBL1952692)	Inhibition of human DOR
50034605	4	ChEMBL_805242 (CHEMBL1955135)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells membrane after 2 hrs by liquid scintillation counting
50034605	5	ChEMBL_805243 (CHEMBL1955136)	Displacement of [3H]-DADLE from human delta opioid receptor expressed in CHO cells membrane after 2 hrs by liquid scintillation counting
50034605	6	ChEMBL_805244 (CHEMBL1955137)	Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells membrane after 2 hrs by liquid scintillation counting
50034608	5	ChEMBL_805488 (CHEMBL1955381)	Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA
50034608	1	ChEMBL_805485 (CHEMBL1955378)	Inhibition of COX-2-mediated 6-keto-PGF1alpha production in IL-1beta-induced HUVEC preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA
50034608	6	ChEMBL_805486 (CHEMBL1955379)	Inhibition of COX-1-mediated TXB2 production in human platelets preincubated for 20 mins prior A23187 stimulation measured after 15 mins by RIA
50034608	3	ChEMBL_805487 (CHEMBL1955380)	Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA
50034613	26	ChEMBL_806415 (CHEMBL1959344)	Inhibition of human PKCa catalytic domain after by scintillation counting
50034614	10	ChEMBL_807023 (CHEMBL1959415)	Inhibition of human GST-tagged CDK4-cyclin D1 using his-tagged Rb as substrate after 30 mins by scintillation counting method
50034614	11	ChEMBL_807032 (CHEMBL1959424)	Inhibition of insulin receptor using fluorescent substrate by IMAP assay
50034614	8	ChEMBL_807025 (CHEMBL1959417)	Inhibition of human CDK1-GST-tagged cyclin B using his-tagged Rb as substrate after 30 mins by scintillation counting method
50034614	9	ChEMBL_807024 (CHEMBL1959416)	Inhibition of human CDK2-GST-tagged cyclin E using his-tagged Rb as substrate after 30 mins by scintillation counting method
50034615	13	ChEMBL_807417 (CHEMBL1960788)	Inhibition of human ROCK2
50034615	14	ChEMBL_807416 (CHEMBL1960787)	Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 substrate and [gamma-33P]ATP after 90 mins by scintillation proximity assay
50034627	19	ChEMBL_806647 (CHEMBL1960130)	Inhibition of human MMP14
50034627	20	ChEMBL_806656 (CHEMBL1960298)	Inhibition of human norepinephrine transporter
50034627	21	ChEMBL_806643 (CHEMBL1960126)	Inhibition of human MMP9
50034635	22	ChEMBL_807290 (CHEMBL1960383)	Inhibition of InsR
50034635	17	ChEMBL_807282 (CHEMBL1960375)	Inhibition of GSK3-beta by fluorescence polarization assay
50034635	20	ChEMBL_807302 (CHEMBL1960395)	Inhibition of CDK2 by AlphaLISA assay
50034635	19	ChEMBL_807300 (CHEMBL1960393)	Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay
50011832	1	ChEBML_143997	Concentration that inhibited 50% of binding of 125 I -PYY ligand to human Neuropeptide Y receptor type 5
50034635	21	ChEMBL_807299 (CHEMBL1960392)	Inhibition of CDK2
50034678	27	ChEMBL_808125 (CHEMBL1961276)	Inhibition of human recombinant aurora-B expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting
50034678	26	ChEMBL_808127 (CHEMBL1961278)	Inhibition of human recombinant CDK2/CyclinA expressed in Sf9 cells using histone H1 as substrate after 80 mins by scintillation counting
50034678	25	ChEMBL_808128 (CHEMBL1961279)	Inhibition of human recombinant CDK4/CyclinD1 expressed in Sf9 cells using RB-CTF as substrate after 80 mins by scintillation counting
50034678	28	ChEMBL_808261 (CHEMBL1961231)	Inhibition of human recombinant INS-R expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting
50034683	2	ChEMBL_805630 (CHEMBL1960464)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production after 30 mins by scintillation counting
50034685	8	ChEMBL_805642 (CHEMBL1960476)	Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034685	9	ChEMBL_805641 (CHEMBL1960475)	Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034685	10	ChEMBL_805647 (CHEMBL1960481)	Inhibition of MMP14 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50011837	6	ChEMBL_105844 (CHEMBL716054)	Tested for its binding affinity towards human recombinant Melanocortin 1 receptor by using radioligand binding assay
50011837	7	ChEMBL_106022 (CHEMBL718194)	Tested for its binding affinity towards human recombinant Melanocortin 3 receptor by using radioligand binding assay
50036780	5	ChEMBL_35498 (CHEMBL646408)	Binding affinity against aminopeptidase N from pig kidney
50036780	6	ChEMBL_144468 (CHEMBL755533)	Binding affinity against NEP from rabbit kidney(neutral endopeptidase)
50036796	6	ChEMBL_156893 (CHEMBL767083)	In vitro inhibition of Phosphodiesterase 4 from guinea pig lung
50036796	8	ChEMBL_156472 (CHEMBL761549)	In vitro inhibition of Phosphodiesterase 3 activity from guinea pig cardiac ventricle
50036796	7	ChEMBL_156148 (CHEMBL760754)	Inhibition of Phosphodiesterase 1 of guinea pig cardiac ventricle
50036796	13	ChEMBL_155195 (CHEMBL763668)	Inhibition of Phosphodiesterase 5 of guinea pig lung
50036796	9	ChEMBL_156892 (CHEMBL767082)	Inhibition of guinea pig lung Phosphodiesterase 4
50036796	10	ChEMBL_156908 (CHEMBL763942)	Displacement of [3H]- rolipram binding to guinea pig brain
50036796	11	ChEMBL_156907 (CHEMBL763941)	Displacement of [3H]- rolipram binding to guinea pig brain
50036796	12	ChEMBL_156484 (CHEMBL761729)	Inhibition of guinea pig cardiac ventricle Phosphodiesterase 3
50036802	5	ChEMBL_147343 (CHEMBL756188)	Opioid receptor delta 1 agonist activity was determined
50036805	12	ChEMBL_145140 (CHEMBL755285)	Ability to inhibit GTP-gamma-S binding to Opioid receptor mu 1 of guinea pig caudate.
50036805	13	ChEMBL_147010 (CHEMBL756213)	Ability to inhibit GTP-gamma-S binding to Opioid receptor delta 1 of guinea pig caudate
50036805	14	ChEMBL_146224 (CHEMBL752604)	Ability to displace [3H]U-69593 radioligand from Opioid receptor kappa 1
50036805	11	ChEMBL_146225 (CHEMBL752605)	Ability to inhibit GTP-gamma-S binding to Opioid receptor kappa 1 of guinea pig caudate
50036805	5	ChEMBL_147011 (CHEMBL756214)	Ability to inhibit GTP-gamma-S binding to Opioid receptor delta 1 of guinea pig caudate.
50036805	6	ChEMBL_146226 (CHEMBL752606)	Ability to inhibit GTP-gamma-S binding to Opioid receptor kappa 1 of guinea pig caudate.
50036805	10	ChEMBL_146505 (CHEMBL754614)	Binding affinity towards Opioid receptor kappa 1 by the displacement of [3H]U-69593 radioligand in guinea pig brain membranes
50036806	4	ChEMBL_147149 (CHEMBL758174)	Binding affinity towards Opioid receptor delta 1 by displacing the radioligand [3H]naltrindole from guinea pig brain membrane
50036806	5	ChEMBL_145280 (CHEMBL751216)	Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane
50036806	6	ChEMBL_146517 (CHEMBL754626)	Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane
50036822	4	ChEMBL_147342 (CHEMBL756187)	Inhibition of [3H]- diprenorphine binding to Opioid receptor delta 1
50036825	5	ChEMBL_146137 (CHEMBL754143)	Opioid receptor activity was evaluated using mouse vas deferens (MVD) assay
50036825	6	ChEMBL_147329 (CHEMBL756174)	Binding affinity towards Opioid receptor delta 1 was evaluated
50036828	5	ChEMBL_145486 (CHEMBL752129)	Binding affinity towards cloned human Opioid receptor delta 1 in CHO cell membranes.
50036828	7	ChEMBL_145242 (CHEMBL755693)	Binding affinity at Opioid receptor kappa 1 by to cloned human opioid receptors expressed in CHO cell membranes
50036828	2	ChEMBL_147239 (CHEMBL755507)	Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).
50036828	10	ChEMBL_145485 (CHEMBL752128)	Binding affinity towards cloned human Opioid receptor delta 1 in CHO cell membranes.
50036828	11	ChEMBL_145256 (CHEMBL751034)	Binding affinity towards cloned human Opioid receptor kappa 1 in CHO cell membranes.
50036843	1	ChEMBL_146611 (CHEMBL750112)	Displacement of radioligand [3H]- DPDPE on Opioid receptor delta 1 in monkey brain membranes range; Value ranges from (34.0-43.2)
50036843	7	ChEMBL_146610 (CHEMBL750111)	Displacement of radioligand [3H]- DPDPE on Opioid receptor delta 1 in monkey brain membranes
50036852	5	ChEMBL_147143 (CHEMBL754175)	Binding affinity to displace radioligand [3H]naltrindole on Opioid receptor delta 1 in guinea pig membranes.
50036852	6	ChEMBL_145274 (CHEMBL751210)	Binding affinity to displace radioligand [3H]DAMGO on Opioid receptor mu 1 in guinea pig membranes.
50036852	4	ChEMBL_221927 (CHEMBL842492)	Binding affinity to displace radioligand [3H]DAMGO on Opioid receptor mu 1 in guinea pig membranes.
50036852	7	ChEMBL_146503 (CHEMBL754612)	Binding affinity to displace radioligand [3H]U-69593 on Opioid receptor kappa 1 in guinea pig membranes.
50036854	7	ChEMBL_148224 (CHEMBL753233)	Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.
50036854	5	ChEMBL_145313 (CHEMBL751919)	GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells
50036854	8	ChEMBL_145484 (CHEMBL751978)	Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.
50036854	2	ChEMBL_145586 (CHEMBL749731)	GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells
50036854	4	ChEMBL_147237 (CHEMBL755505)	GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells
50036854	9	ChEMBL_145254 (CHEMBL751032)	Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.
50036871	5	ChEMBL_50319 (CHEMBL661624)	Inhibition of Cyclin-dependent kinase 1 (CDK1)
50036871	3	ChEMBL_50320 (CHEMBL660789)	Inhibition of cyclin-dependent kinase 1
50011842	1	ChEBML_50718	In vitro inhibition of [1,2,6,7-3H]-androstenedione binding to human placental microsome cytochrome P450 19A1
50011844	2	ChEBML_210224	Tested for inhibitory activity against Telomerase in telomerase repeat amplification protocol (TRAP) assay
50011844	1	ChEBML_209735	Tested for inhibitory activity against Taq DNA polymerase
50011846	1	ChEBML_139766	Binding affinity against muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand.
50036887	2	ChEMBL_141740 (CHEMBL749252)	Inhibition of NADH oxidase activity.
50011849	2	ChEMBL_70186 (CHEMBL684374)	In vitro activity to block the binding of fibrinogen to purified human fibrinogen receptor.
50011854	8	ChEBML_69438	Inhibition of Fyn kinase
50011854	4	ChEBML_221487	Inhibition of p56 Lck tyrosine kinase
50036894	7	ChEMBL_106525 (CHEMBL713029)	Binding affinity for Human Melanocortin 5 receptor expressed in L-cells
50036894	3	ChEMBL_106518 (CHEMBL713022)	Effective concentration required for intracellular cAMP accumulation by Melanocortin 5 receptor
50036894	8	ChEMBL_106330 (CHEMBL709900)	Binding affinity for Human Melanocortin 4 receptor expressed in L-cells
50011854	2	ChEBML_221498	Inhibition of Lyn tyrosine kinase
50036894	5	ChEMBL_105999 (CHEMBL884507)	Effective concentration required for intracellular cAMP accumulation against Melanocortin 3 receptor
50036894	9	ChEMBL_106006 (CHEMBL716362)	Binding affinity for Human Melanocortin 3 receptor expressed in L-cells
50036894	6	ChEMBL_106188 (CHEMBL714607)	Effective concentration required for intracellular cAMP accumulation by Melanocortin 4 receptor
50036896	4	ChEMBL_147335 (CHEMBL756180)	Binding affinity against Opioid receptor delta 1
50036896	5	ChEMBL_148092 (CHEMBL751574)	Binding affinity against Opioid receptor mu 1
50036916	12	ChEMBL_219823 (CHEMBL881166)	Effective concentration required to stimulate binding of GTPgammaS to mu1 receptor was determined using scintillation proximity assay
50036916	4	ChEMBL_145492 (CHEMBL872958)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor delta 1
50036916	15	ChEMBL_145493 (CHEMBL752135)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor delta 1
50036916	11	ChEMBL_146118 (CHEMBL754587)	Competitive binding affinity against transfected HEK293 cells expressing Opioid receptor like 1
50036916	14	ChEMBL_219298 (CHEMBL822657)	Effective concentration required to stimulate binding of GTPgammaS to human ORL1 receptor was determined using scintillation proximity assay
50036916	16	ChEMBL_146119 (CHEMBL754588)	Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1
50036916	13	ChEMBL_146107 (CHEMBL883401)	Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay
50036916	17	ChEMBL_148233 (CHEMBL753393)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1
50036918	2	ChEMBL_68705 (CHEMBL682636)	Partial agonist activity with low efficacy against rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	9	ChEMBL_68580 (CHEMBL679667)	Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	7	ChEMBL_68584 (CHEMBL679671)	Full agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50036927	11	ChEMBL_145471 (CHEMBL751258)	Binding affinity against cloned human Opioid receptor delta 1 transfected onto CHO cells using [3H]Cl-DPDPE
50036927	10	ChEMBL_148093 (CHEMBL751575)	Binding affinity against cloned human Opioid receptor mu 1 transfected onto CHO cells using [3H]DAMGO
50036927	20	ChEMBL_145150 (CHEMBL755954)	Binding affinity against Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO
50036927	18	ChEMBL_148094 (CHEMBL751576)	Binding affinity against cloned human opioid Opioid receptor mu 1 transfected onto CHO cells using [3H]DAMGO
50036927	8	ChEMBL_145238 (CHEMBL755689)	Binding affinity against cloned human Opioid receptor kappa 1 transfected onto CHO cells using [3H]U-69593
50036927	9	ChEMBL_145581 (CHEMBL749726)	EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor mu 1 (DAMGO) transfected onto CHO cells
50036927	6	ChEMBL_147019 (CHEMBL756221)	Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes using [3H]Cl-DPDPE
50036927	21	ChEMBL_146365 (CHEMBL882421)	Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593
50036927	5	ChEMBL_147022 (CHEMBL753663)	Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes using [3H]Cl-DPDPE
50036927	19	ChEMBL_145309 (CHEMBL751915)	EC50 for binding of [35S]- GTPdeltaS in cloned human oOpioid receptor delta 1 (Cl-DPDPE) transfected onto CHO cells
50036927	22	ChEMBL_145308 (CHEMBL751914)	EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor delta 1 (Cl-DPDPE) transfected onto CHO cells
50011864	1	ChEMBL_2455 (CHEMBL617344)	Binding affinity was performed using [3H]ketanserin as the radioligand and stably transfected NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor (GF-62 cells).
50011865	5	ChEMBL_200691 (CHEMBL807101)	Binding affinity of human Somatostatin receptor type 3 (hsst3) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells
50011865	3	ChEMBL_200852 (CHEMBL807062)	Binding affinity of human Somatostatin receptor type 5 (hsst5) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells
50011865	4	ChEMBL_200671 (CHEMBL806162)	Binding affinity of human Somatostatin receptor type 2 (hsst2) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells
50011865	1	ChEMBL_200534 (CHEMBL806604)	Binding affinity of human Somatostatin receptor type 1 (hsst1) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells.
50011865	2	ChEMBL_200833 (CHEMBL882392)	Binding affinity of human Somatostatin receptor type 4 (hsst4) by the displacement of [125I]- Tyr11 somatostatin-14 in CHO-K1 cells
50011869	1	ChEMBL_54285 (CHEMBL666804)	Inhibitory activity against human recombinant Dihydrofolate reductase
50011870	1	ChEMBL_225810 (CHEMBL845250)	Concentration needed to inhibit tubulin polymerization by 50%
50036927	13	ChEMBL_145584 (CHEMBL749729)	EC50 for binding of [35S]- GTPdeltaS in cloned human opioid mu receptors (DAMGO) transfected onto CHO cells
50036927	12	ChEMBL_148095 (CHEMBL751577)	Binding affinity against cloned human opioid mu receptors transfected onto CHO cells using [3H]DAMGO
50036927	4	ChEMBL_147233 (CHEMBL754921)	EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor kappa 1 (U-69,593) transfected onto CHO cells
50036927	15	ChEMBL_145239 (CHEMBL755690)	Binding affinity against cloned human opioid Opioid receptor kappa 1 transfected onto CHO cells using [3H]U-69593
50036937	8	ChEMBL_41376 (CHEMBL653499)	Inhibition of human recombinant beta-secretase
50036937	7	ChEMBL_41382 (CHEMBL653505)	In vitro inhibition of beta-secretase was evaluated
50036937	6	ChEMBL_41383 (CHEMBL884133)	Inhibition of beta-secretase activity
50036943	8	ChEMBL_154419 (CHEMBL758018)	Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)
50036943	7	ChEMBL_154421 (CHEMBL758020)	Inhibitory activity against canine heart Phosphodiesterase 3 (PDE3)
50036943	9	ChEMBL_154560 (CHEMBL757895)	Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)
50036943	5	ChEMBL_164977 (CHEMBL774072)	Relaxant effect on isolated rabbit corpus cavernosum
50036943	6	ChEMBL_154552 (CHEMBL757887)	Inhibition of canine lung Phosphodiesterase 4 (PDE4)
50011874	1	ChEMBL_100830 (CHEMBL709762)	Inhibitory concentration against Lignostilbene alpha beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL at 30 degree C
50011874	4	ChEMBL_100832 (CHEMBL712042)	Tested for the inhibition of Lignostilbene-alpha, beta-dioxygenase (LSD)
50011875	4	ChEMBL_139066 (CHEMBL745661)	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain membrane
50011875	6	ChEBML_1161	Displacement of [3H]prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor
50011875	3	ChEBML_2654	Displacement of [3H]8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor
50011875	10	ChEMBL_2993 (CHEMBL619784)	Displacement of [3H]ketanserin from rat cortex 5-HT3 receptor
50011875	8	ChEBML_84709	Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor
50011875	9	ChEBML_62561	Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2
50011875	7	ChEBML_139066	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain membrane
50011875	11	ChEMBL_84709 (CHEMBL694448)	Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor
50011875	12	ChEMBL_201410 (CHEMBL872705)	In vitro binding affinity for Sigma opioid receptor by displacement of [3H]DTG
50036955	4	ChEMBL_146516 (CHEMBL754625)	Binding affinity to opioid receptor kappa 1 of guinea pig brain, using [3H]U-69593 as radioligand
50036955	12	ChEMBL_147282 (CHEMBL755435)	Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (SNC-80, delta-receptor), in guinea pig caudate membranes
50036955	17	ChEMBL_149631 (CHEMBL756699)	Binding affinity to mu-opioid receptor of rat brain using [3H]DAMGO as radioligand
50036955	2	ChEMBL_146801 (CHEMBL755292)	inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes
50036955	18	ChEMBL_149479 (CHEMBL758070)	inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (DAMGO, mu-receptor), in guinea pig caudate membranes
50036955	19	ChEMBL_149484 (CHEMBL758075)	Antagonist activity on agonist (SNC-80) stimulated [35S]GTP-gamma-S, binding in cloned opioid receptor mu1
50036955	20	ChEMBL_146685 (CHEMBL753176)	Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes.
50011879	1	ChEMBL_143998 (CHEMBL750995)	Tested for the inhibition of [125I]PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor
50036955	13	ChEMBL_149478 (CHEMBL758228)	Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (DAMGO, mu-receptor), in guinea pig caudate membranes.
50036955	11	ChEMBL_146684 (CHEMBL753175)	Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes
50011879	2	ChEBML_143999	Tested for the inhibition of [125I]PYY binding to HEK 293 cells stably expressed with human neuropeptide NPY Y5 receptor at a concentration of 10e-6 M
50036955	15	ChEMBL_149632 (CHEMBL756700)	Binding affinity to mu-opioid receptor of rat brain using [3H]DAMGO as radioligand.
50011881	1	ChEBML_209063	Inhibition of amidolytic activity of thrombin
50036955	10	ChEMBL_145468 (CHEMBL751255)	Antagonist activity on agonist (SNC-80) stimulated [35S]GTP-gamma-S, binding in cloned delta opioid receptors
50036971	4	ChEMBL_145324 (CHEMBL750412)	Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand
50036971	5	ChEMBL_149489 (CHEMBL757060)	Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand
50011885	3	ChEBML_106633	Inhibition of Matrix metalloprotease-13
50011885	4	ChEBML_212596	Inhibition of porcine Tumor necrosis factor alpha converting enzyme
50011885	2	ChEBML_106292	Inhibition of Matrix metalloprotease-1
50011886	5	ChEBML_106623	Inhibition of Matrix metalloprotease-13 at 10 uM
50011886	1	ChEBML_106282	Inhibition of Matrix metalloprotease-1
50011886	4	ChEBML_212591	Inhibition of Tumor necrosis factor alpha converting enzyme
50036971	6	ChEMBL_145105 (CHEMBL751989)	Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand
50011886	3	ChEMBL_106623 (CHEMBL717007)	Inhibition of Matrix metalloprotease-13 at 10 uM
50011887	3	ChEBML_69664	In vitro inhibitory constant against factor Xa (FXa) was tested
50011887	1	ChEBML_208494	In vitro inhibitory constant against human thrombin (FIIa).
50011887	2	ChEBML_212857	In vitro inhibitory constant against trypsin
50036972	43	ChEMBL_216954 (CHEMBL822772)	Inhibition of alpha-1 adrenergic receptor
50036972	44	ChEMBL_39278 (CHEMBL650539)	Binding affinity for peripheral benzodiazepine receptor
50036972	41	ChEMBL_92767 (CHEMBL700067)	Binding affinity against L-type calcium channel verapamil site
50036972	42	ChEMBL_92939 (CHEMBL700953)	Binding affinity against L-type calcium channel verapamil site
50036972	45	ChEMBL_145323 (CHEMBL750411)	Inhibition of ligand binding to human delta opioid receptor.
50036972	10	ChEMBL_145321 (CHEMBL750409)	Binding affinity against delta opiate receptor using [3H]DPDPE
50011890	21	ChEBML_210897	Inhibition of Tyrosine-protein kinase CSK
50011890	10	ChEBML_84746	Inhibition of protein kinase Hck
50011890	12	ChEBML_210736	Inhibition of Tyrosine kinase 2 kinase
50011890	19	ChEBML_91943	Inhibition of murine Jak 1 protein kinase
50011890	15	ChEBML_213970	Inhibition of Vascular endothelial growth factor receptor 2
50011890	6	ChEBML_70637	Inhibition of Fibroblast growth factor receptor 2
50011890	9	ChEBML_221499	Inhibition of p56 Lck tyrosine kinase
50011890	5	ChEBML_213960	Inhibition of Vascular endothelial growth factor receptor 1
50011890	2	ChEBML_202766	Inhibition of Src protein tyrosine kinase
50011890	20	ChEBML_91944	Inhibition of protein kinase Jak 2
50011890	18	ChEBML_91945	Inhibition of protein kinase Jak 3
50011890	24	ChEBML_221032	Inhibition of protein kinase Raf
50011890	4	ChEBML_90393	Inhibition of I-kappa-B kinase 2
50011890	7	ChEBML_210057	Inhibition of Tek kinase
50011890	22	ChEBML_69435	Inhibition of protein kinase Fyn
50011890	11	ChEBML_51485	Inhibition of cyclin dependent kinase 2
50011890	26	ChEMBL_124472 (CHEMBL734076)	Inhibition of Mitogen-activated protein kinase p38
50011891	1	ChEBML_91006	Compound was tested for inhibitory activity against IL-1 beta converting enzyme
50011892	1	ChEBML_158892	Inhibitory activity against procollagen C-proteinase (PCP).
50037007	4	ChEMBL_145192 (CHEMBL754437)	Binding affinity towards delta-opioid receptor from CHO cells
50037014	7	ChEMBL_218117 (CHEMBL821784)	Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 2 adrenergic receptors
50037014	2	ChEMBL_218120 (CHEMBL822409)	Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors
50037014	3	ChEMBL_218116 (CHEMBL822478)	Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors
50037014	8	ChEMBL_218113 (CHEMBL822475)	Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 1 Adrenergic receptor
50037014	5	ChEMBL_218111 (CHEMBL822473)	In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor
50037014	9	ChEMBL_218121 (CHEMBL822410)	In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.
50011900	1	ChEBML_84786	In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin
50037031	2	ChEMBL_106832 (CHEMBL717673)	Binding affinity for human Melanocortin-3 receptor (hMC3R) expressed in HEK293 cells
50037031	8	ChEMBL_104236 (CHEMBL712742)	Inhibition of binding to human Melanocortin-4 receptor (hMC4R)
50037031	9	ChEMBL_106519 (CHEMBL713023)	Effective concentration against human melanocortin 5 receptor (hMC5R) in HEK293 cells
50037031	3	ChEMBL_104244 (CHEMBL712906)	Binding affinity for human Melanocortin-4 receptor (hMC4R)
50037031	10	ChEMBL_106829 (CHEMBL717670)	Inhibition of human Melanocortin-3 receptor (hMC3R) expressed in HEK293 cells
50011902	1	ChEMBL_221948 (CHEMBL844221)	Micromolar concentration required for 50% inhibition of Adenosine Kinase enzyme activity
50037031	6	ChEMBL_106653 (CHEMBL712998)	Binding affinity for human melanocortin 5 receptor (hMC5R) expressed in HEK293 cells
50011906	1	ChEBML_141440	In vitro inhibition of N-type calcium channels in IMR-32 cells.
50011907	5	ChEMBL_69686 (CHEMBL682022)	Tested for inhibitory activity against Coagulation factor Xa
50011907	1	ChEBML_49330	Inhibition of Coagulation factor Xa
50011907	6	ChEMBL_213206 (CHEMBL818019)	Tested for inhibitory activity against trypsin
50011907	4	ChEBML_155434	Tested for inhibitory activity against plasmin
50011907	9	ChEMBL_208920 (CHEMBL872723)	Tested for inhibitory activity against thrombin
50011907	2	ChEBML_208920	Tested for inhibitory activity against thrombin
50011907	7	ChEBML_208041	Tested for inhibitory activity against Tissue plasminogen activator
50011907	3	ChEBML_225801	Tested for inhibitory activity against trypsin
50011908	3	ChEMBL_39664 (CHEMBL650909)	Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through C-X-C chemokine receptor type 4
50011908	5	ChEMBL_49697 (CHEMBL665167)	Inhibitory activity based on the inhibition of [Ca2+] mobilization induced by human SDF-1alpha stimulation through CXCR4
50011910	1	ChEBML_105204	Tested for its inhibitory activity against neutrophil collagenase (Matrix metalloprotease-8)
50037061	18	ChEMBL_147717 (CHEMBL759187)	Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes
50037061	72	ChEMBL_149732 (CHEMBL759515)	The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) from rat vas deferens
50037061	73	ChEMBL_147874 (CHEMBL756885)	The compound was evaluated for antagonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 4 (P2Y4)
50037061	74	ChEMBL_147420 (CHEMBL754454)	Antagonist activity against recombinant human P2X purinoceptor 7 (P2X7)
50037061	60	ChEMBL_147718 (CHEMBL759188)	Evaluated for antagonist activity agonist phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes
50037061	69	ChEMBL_147402 (CHEMBL750977)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X2) at 10 uM, expressed in Xenopus oocytes
50037061	75	ChEMBL_147398 (CHEMBL751806)	Antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 )
50037061	62	ChEMBL_147572 (CHEMBL751769)	The compound was evaluated for antagonistic activity at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli
50037061	23	ChEMBL_149724 (CHEMBL873618)	The compound was evaluated for antagonist activity against P2X purinoceptor
50037061	47	ChEMBL_149722 (CHEMBL754042)	The compound was evaluated for inhibition of P2X purinoceptor in PC12 bladder cells
50037061	76	ChEMBL_147883 (CHEMBL757045)	The compound was evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 6 (P2Y6)
50037061	51	ChEMBL_147719 (CHEMBL759189)	Evaluated for antagonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes
50037061	77	ChEMBL_147742 (CHEMBL756289)	Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12)
50037061	78	ChEMBL_147568 (CHEMBL751765)	Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2)
50037061	43	ChEMBL_149738 (CHEMBL759521)	Dissociation constant of the compound at P2X purinoceptor 1 (P2X1) from rat vas deferens was reported
50037061	79	ChEMBL_147736 (CHEMBL755047)	Agonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11)
50037061	61	ChEMBL_147711 (CHEMBL759181)	Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of rat erythrocytes
50037061	4	ChEMBL_147403 (CHEMBL884064)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM,expressed in Xenopus oocytes
50037062	2	ChEMBL_155351 (CHEMBL762496)	Phosphodiesterase 5 activity of human corpus cavernosum
50037066	38	ChEMBL_2564 (CHEMBL617111)	Functional potency at the rat 5-hydroxytryptamine 2A receptor as effective concentration EC50 for stimulating Phosphoinositide accumulation
50037066	39	ChEMBL_38634 (CHEMBL652495)	Binding affinity towards Beta-2 adrenergic receptor
50037066	22	ChEMBL_38633 (CHEMBL652494)	Binding affinity against Beta-2 adrenergic receptor
50037067	2	ChEMBL_41373 (CHEMBL653496)	Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay
50037074	10	ChEMBL_145488 (CHEMBL752131)	Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)
50037074	9	ChEMBL_145315 (CHEMBL751921)	Partial agonist activity tested in [35S]GTP-gamma-S, Recombinant Human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)
50037074	11	ChEMBL_148229 (CHEMBL753389)	Binding affinity towards recombinant human Opioid receptor mu 1 transfected in to CHO cells for the displacement of [3H]DAMGO (mu)
50037074	5	ChEMBL_145314 (CHEMBL751920)	Maximum percentage effect of standard Opioid receptor delta 1 (Cl-DPDPE)
50037074	8	ChEMBL_145589 (CHEMBL749734)	Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1
50037074	2	ChEMBL_145489 (CHEMBL752132)	Binding affinity towards recombinant humanOpioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)
50037082	2	ChEMBL_69352 (CHEMBL677588)	Inhibitory activity against human formylpeptide receptor (FPR) of human leukemia HL-60 cells
50011922	3	ChEMBL_225421 (CHEMBL845034)	Inhibition of human thrombin by chromogenic assay
50011922	7	ChEMBL_225793 (CHEMBL845143)	Inhibitory constant (Ki) was determined against human trypsin
50011922	1	ChEMBL_207890 (CHEMBL808466)	Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator)
50011922	2	ChEMBL_225570 (CHEMBL847040)	Inhibitory constant (Ki) was determined against human thrombin
50011922	4	ChEMBL_49311 (CHEMBL663410)	Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa)
50011922	6	ChEMBL_27855 (CHEMBL642280)	Inhibitory constant (Ki) was determined against human Activated protein C
50011922	5	ChEMBL_222780 (CHEMBL847109)	Inhibitory constant (Ki) was determined against human plasmin
50011924	2	ChEMBL_87865 (CHEMBL697288)	In vitro for anti-HDAC1 (Histone deacetylase 1) activity in mouse A20 cells
50011924	1	ChEMBL_87880 (CHEMBL698799)	In vitro for anti-HD2 (Histone deacetylase 2) activity in maize
50011925	1	ChEMBL_162446 (CHEMBL770349)	Percent inhibition of compound against Protein-tyrosine phosphatase 1B at a 65 uM concentration
50011925	2	ChEMBL_162445 (CHEMBL770348)	Inhibitory constant against Protein-tyrosine phosphatase 1B
50011926	1	ChEMBL_210769 (CHEMBL815740)	Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor
50011930	1	ChEMBL_29610 (CHEMBL642892)	GTP-induced shift at rat Adenosine A1 receptor (A1AR)
50011930	4	ChEMBL_29011 (CHEMBL643485)	Binding affinity at rat Adenosine A1 receptor in the absence of GTP
50011930	3	ChEMBL_29012 (CHEMBL643486)	Binding affinity at rat Adenosine A1 receptor in the presence of GTP
50011930	5	ChEMBL_27576 (CHEMBL643498)	Binding affinity at human Adenosine A1 receptor expressed in CHO cells
50011930	2	ChEMBL_29989 (CHEMBL875252)	Binding affinity at rat Adenosine A2A receptor
50011931	2	ChEMBL_105404 (CHEMBL710823)	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells
50011931	3	ChEMBL_104950 (CHEMBL713259)	Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells
50011933	1	ChEMBL_200909 (CHEMBL880920)	Inhibitory concentration bound to tryptophan containing region of Serum albumin in fluorescence quenching
50011934	3	ChEMBL_70417 (CHEMBL682252)	Binding affinity by displacement of [3H]Ro-151788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in L cells
50011934	8	ChEMBL_70698 (CHEMBL681483)	Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-5-beta-3-gamma-2) stably expressed in L(tk-) cells.
50011934	4	ChEMBL_70696 (CHEMBL681481)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	11	ChEMBL_70102 (CHEMBL681637)	Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-1-beta-3-gamma-2) stably expressed in L(tk-) cells.
50011934	5	ChEMBL_70697 (CHEMBL681482)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	6	ChEMBL_70262 (CHEMBL681249)	Displacement of [3H]Ro-151788 from human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 stably expressed in L(tk-) cells
50011934	12	ChEMBL_70103 (CHEMBL681638)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cells (<50% inhibition at 3 uM)
50011934	1	ChEMBL_70265 (CHEMBL681404)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	15	ChEMBL_70104 (CHEMBL681639)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cells (<50% inhibition at 100 uM)
50011934	10	ChEMBL_70264 (CHEMBL681403)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cells (<50% inhibition at 2 uM)
50011934	13	ChEMBL_70100 (CHEMBL678330)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	14	ChEMBL_70101 (CHEMBL681636)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	2	ChEMBL_70700 (CHEMBL681485)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cells (<50% inhibition at 2 uM)
50011934	9	ChEMBL_70699 (CHEMBL681484)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	7	ChEMBL_70263 (CHEMBL681250)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cells
50011934	16	ChEMBL_70105 (CHEMBL681640)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cells (<50% inhibition at 10 uM)
50011935	1	ChEMBL_225980 (CHEMBL854763)	Ability to inhibit the GTP/glutamate-induced polymerization of tubulin
50037084	5	ChEMBL_50974 (CHEMBL666692)	Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine
50037084	6	ChEMBL_51278 (CHEMBL664980)	Inhibition of recombinant human corticotropin releasing factor receptor 2 beta (CRF2beta) assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine as radioligand
50037084	7	ChEMBL_51127 (CHEMBL663562)	Compound was evaluated for affinity towards Corticotropin releasing factor receptor 1 expressing tissues such as Cortex, cerebellum
50037084	8	ChEMBL_51272 (CHEMBL665763)	Compound was evaluated for affinity towards Corticotropin releasing factor receptor 2 expressing tissues such as Choroid plexus, blood vessels
50037093	8	ChEMBL_145480 (CHEMBL752896)	Binding affinity for opioid receptor type, human Opioid receptor delta 1 expressed in membrane homogenates of COS-1 or CHO cells
50037093	9	ChEMBL_148221 (CHEMBL754711)	Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed in membrane homogenates of COS-1 or CHO cells
50037093	10	ChEMBL_146116 (CHEMBL754585)	Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells
50037093	5	ChEMBL_147244 (CHEMBL755512)	Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes
50037093	11	ChEMBL_145250 (CHEMBL755700)	Binding affinity for opioid receptor type, human Opioid receptor kappa 1 expressed in membrane homogenates of COS-1 or CHO cells
50037093	7	ChEMBL_146108 (CHEMBL754578)	Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1
50037093	6	ChEMBL_145592 (CHEMBL749737)	Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes
50037094	11	ChEMBL_146796 (CHEMBL753583)	The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by U69,593 (Opioid receptor kappa 1) antagonist
50037094	12	ChEMBL_149143 (CHEMBL759234)	Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.
50037094	3	ChEMBL_146791 (CHEMBL754453)	Binding affinity at kappa opioid receptor 1 in guinea pig brain by [3H]U-69593 displacement.
50037094	13	ChEMBL_145426 (CHEMBL747236)	The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by DAMGO (Opioid receptor mu 1) antagonist
50037094	14	ChEMBL_147288 (CHEMBL755876)	The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist
50037094	15	ChEMBL_147183 (CHEMBL754482)	Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.
50037094	9	ChEMBL_147184 (CHEMBL754483)	Opioid receptor delta 1 binding affinity was determined by inhibition of binding of [3H]DADLE to rat brain membrane
50037094	10	ChEMBL_147287 (CHEMBL755875)	The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80
50011938	6	ChEMBL_208756 (CHEMBL812310)	Inhibition of Escherichia coli thymidylate synthase (TS)
50011938	1	ChEMBL_53328 (CHEMBL664914)	Inhibition of Toxoplasma gondii dihydrofolate reductase (DHFR)
50011938	5	ChEMBL_209612 (CHEMBL817506)	Inhibition of rh thymidylate synthase (TS)
50011938	4	ChEMBL_209613 (CHEMBL817507)	Inhibition of rocombinant human thymidylate synthase (TS)
50011938	2	ChEMBL_54105 (CHEMBL668435)	Inhibition of rh dihydrofolate reductase (DHFR)
50011938	7	ChEMBL_209611 (CHEMBL817505)	Inhibition of recombinant human thymidylate synthase (TS)
50011938	3	ChEMBL_54383 (CHEMBL666733)	Inhibition of Escherichia coli dihydrofolate reductase (DHFR)
50011942	1	ChEBML_144255	Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound
50037100	27	ChEMBL_105475 (CHEMBL708305)	In vitro inhibition of Mast/stem cell growth factor receptor (c-Kit kinase) expressed in baculovirus
50037100	19	ChEMBL_213979 (CHEMBL817493)	Inhibition of VEGFR induced autophosphorylation of human Vascular endothelial growth factor receptor 2 (VEGFR2) transfected in CHO cells
50037100	28	ChEMBL_213976 (CHEMBL820672)	In vitro inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2)
50037100	29	ChEMBL_70623 (CHEMBL678679)	In vitro inhibition of Fibroblast growth factor receptor expressed in baculovirus
50037100	30	ChEMBL_210886 (CHEMBL814618)	In vitro inhibition of Tyrosine protein kinase receptor TIE-2 (Tek) expressed in baculovirus
50037100	31	ChEMBL_216845 (CHEMBL818268)	In vitro inhibition of c-SRC kinase expressed in baculovirus
50037100	18	ChEMBL_105476 (CHEMBL708306)	In vitro inhibition of Mast/stem cell growth factor receptor (c-Kit kinase) expressed in baculovirus
50037100	11	ChEMBL_158666 (CHEMBL764169)	In vitro inhibition of Platelet-derived growth factor receptor beta expressed in baculovirus
50037100	32	ChEMBL_50321 (CHEMBL660790)	In vitro inhibition of Cyclin-dependent kinase 1 (CDK-1) expressed in baculovirus
50037100	26	ChEMBL_67044 (CHEMBL677882)	In vitro inhibition of Epidermal growth factor receptor expressed in baculovirus
50011946	7	ChEMBL_71822 (CHEMBL683653)	Inhibition of the human Geranylgeranyl transferase type I catalyzed incorporation of [3H]GGPP into a biotinylated peptide corresponding to the C-terminus of human K-Ras.
50011946	10	ChEMBL_70146 (CHEMBL685969)	Displacement of radiolabeled FTI from Farnesyltransferase in v-Ha-ras-transformed Rat1 cells.
50011946	9	ChEMBL_70268 (CHEMBL681407)	Inhibition of Farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM.
50011946	8	ChEMBL_154441 (CHEMBL756498)	Inhibition of geranylgeranylation of Rap1a in PSN-1 cells
50011946	4	ChEBML_154440	Inhibition of HDJ2 farnesylation in PSN-1 cells
50037100	24	ChEMBL_213958 (CHEMBL811936)	In vitro inhibition of Vascular endothelial growth factor receptor 1 (VEGFR-1) expressed in baculovirus
50037100	17	ChEMBL_70624 (CHEMBL678680)	In vitro inhibition of Fibroblast growth factor receptor 1 expressed in baculovirus
50037100	33	ChEMBL_214249 (CHEMBL820848)	In vitro inhibition of Vascular endothelial growth factor receptor 3 [VEGFR-3(Flt-4)] expressed in baculovirus
50037100	8	ChEMBL_213975 (CHEMBL812788)	In vitro inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2) expressed in baculovirus
50037100	34	ChEMBL_67045 (CHEMBL677883)	In vitro inhibition of Epidermal growth factor receptor (HER-1,ErbB) expressed in baculovirus
50037100	25	ChEMBL_210887 (CHEMBL814619)	In vitro inhibition of Tyrosine protein kinase receptor TIE-2 expressed in baculovirus
50037100	35	ChEMBL_213957 (CHEMBL811935)	In vitro inhibition of Vascular endothelial growth factor receptor 1 (VEGFR-1) expressed in baculovirus
50037133	5	ChEMBL_145111 (CHEMBL751994)	In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells
50037133	6	ChEMBL_145336 (CHEMBL750571)	In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells
50011949	1	ChEBML_67666	Displacement of radioligand from Estrogen receptor alpha
50011949	2	ChEMBL_67667 (CHEMBL673860)	Binding constant for Estrogen receptor alpha
50011950	1	ChEBML_221788	Binding affinity for p60 c-Src SH2 domain by scintillation proximity assay (SPA)
50011951	1	ChEBML_221655	Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay
50011952	1	ChEBML_202783	The compound was evaluated for its binding affinity towards phosphotyrosine binding pocket of Src protein tyrosine kinase SH2 domain
50011953	1	ChEMBL_72985 (CHEMBL680798)	Tested for its inhibitory activity against human glucagon receptor (hGR) expressed in CHO cells
50011953	3	ChEBML_72985	Tested for its inhibitory activity against human glucagon receptor (hGR) expressed in CHO cells
50011954	3	ChEBML_48443	Competitive inhibition of coagulation factor IIa
50011954	2	ChEBML_49302	Competitive inhibition of coagulation factor Xa
50037133	4	ChEMBL_145593 (CHEMBL749738)	Tested for effective concentration against cloned human Opioid receptor mu 1
50037133	7	ChEMBL_148069 (CHEMBL753178)	In vitro binding affinity against cloned human Opioid receptor mu 1 expressed in HEK 293S cells
50011955	2	ChEBML_208903	Tested in vitro for the selectivity against thrombin (IIa)
50011955	1	ChEBML_213077	Tested in vitro for the selectivity against trypsin (Trp)
50011955	3	ChEBML_49327	Tested in vitro for the inhibitory potency against Coagulation factor Xa
50037135	6	ChEMBL_51712 (CHEMBL665727)	Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae
50037136	17	ChEMBL_145303 (CHEMBL752838)	Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes
50037136	18	ChEMBL_144993 (CHEMBL755919)	Affinity for norepinephrine transporter determined by [3H]nisoxetine displacement.
50037136	19	ChEMBL_146682 (CHEMBL753173)	Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes
50011956	3	ChEMBL_157826 (CHEMBL769430)	Inhibition concentration against Prostaglandin G/H synthase 2
50037136	5	ChEMBL_144981 (CHEMBL754323)	Inhibition of [3H]nisoxetine binding at norepinephrine transporter
50037136	1	ChEMBL_201654 (CHEMBL806554)	Inhibition of [3H]paroxetine binding at serotonin transporter was determined
50037136	20	ChEMBL_147281 (CHEMBL755203)	Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes
50037136	21	ChEMBL_202132 (CHEMBL808121)	Inhibition of [3H]paroxetine binding at serotonin transporter was determined
50037136	14	ChEMBL_144980 (CHEMBL754322)	Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined
50037136	11	ChEMBL_62014 (CHEMBL671635)	Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined
50011958	1	ChEBML_89804	Inhibition of human Inosine-5'-monophosphate dehydrogenase 2
50023759	4	ChEMBL_486952 (CHEMBL1012214)	Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy
50023759	2	ChEMBL_486950 (CHEMBL1012212)	Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay
50023759	1	ChEMBL_486951 (CHEMBL1012213)	Inhibition of Plasmodium falciparum plasmepsin-2 by fluorescence polarization assay
50023759	3	ChEMBL_486953 (CHEMBL1012215)	Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy
50023777	1	ChEMBL_506977 (CHEMBL938813)	Agonist activity at human PPARgamma expressed in mouse NIH/3T3 cells assessed as receptor activation after 16 hrs by luciferase based reporter gene assay
50023778	1	ChEMBL_506978 (CHEMBL938814)	Inhibition of cathepsin K by fluorimetric assay
50023779	1	ChEMBL_506979 (CHEMBL938815)	Inhibition of cathepsin K by fluorimetric assay
50011959	2	ChEMBL_105280 (CHEMBL718948)	In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay
50011959	1	ChEMBL_105281 (CHEMBL718949)	In vitro inhibitory concentration against Staphylococcus aureus Methionyl-tRNA synthetase
50037136	22	ChEMBL_62013 (CHEMBL671634)	Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined
50037136	15	ChEMBL_144992 (CHEMBL755918)	Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined
50011962	1	ChEMBL_39620 (CHEMBL649928)	In vitro binding affinity of [111In]DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J
50037141	2	ChEMBL_39223 (CHEMBL655069)	Binding affinity for human brain memapsin 2 beta-Secretase (BACE)
50011965	3	ChEMBL_63865 (CHEMBL670726)	Binding affinity to endothelin B receptor measured by inhibition of [125I]ET-3 binding recombinant pig ET-B receptor expressed in COS-7 cells
50011965	4	ChEMBL_63342 (CHEMBL679284)	Binding affinity for endothelin A receptor by inhibition of [125I]ET1 binding in rat aorta smooth muscle cells
50011965	1	ChEMBL_63529 (CHEMBL677442)	Binding affinity at human Endothelin B receptor
50011965	2	ChEMBL_65466 (CHEMBL682106)	Binding affinity at human Endothelin A receptor
50037142	6	ChEMBL_147484 (CHEMBL755156)	Agonistic activity towards Opioid receptors in the guinea pig ileum
50037142	9	ChEMBL_146316 (CHEMBL758863)	In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.
50037142	4	ChEMBL_145252 (CHEMBL751030)	In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.
50037142	10	ChEMBL_148222 (CHEMBL754712)	In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.
50037142	7	ChEMBL_147236 (CHEMBL755504)	Effective concentration for half-maximal stimulation was determined by [35S]GTP-gamma-S, assay
50037142	11	ChEMBL_145100 (CHEMBL750345)	Antagonistic activity in the Opioid receptor kappa 1-mediated [35S]GTP-gamma-S, binding assay against 50 nM U-50,488
50037142	8	ChEMBL_145099 (CHEMBL750344)	Antagonistic activity in the Opioid receptor kappa 1 -mediated [35S]GTP-gamma-S, binding assay against 50 nM U-50,488
50037142	5	ChEMBL_145101 (CHEMBL750346)	Antagonistic activity in theOpioid receptor kappa 1 -mediated [35S]GTP-gamma-S, binding assay against 50 nM U-50,488
50011970	1	ChEMBL_72848 (CHEMBL680873)	Potentiation of responses mediated by 100 uM L-glutamate in transfected HEK293 cells expressing human homomeric iGluR4 flip receptors.
50037154	4	ChEMBL_143260 (CHEMBL752547)	Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 determined from kinetic measures of koff/kon
50037154	5	ChEMBL_146522 (CHEMBL754630)	Binding affinity was determined against Opioid receptor kappa 1 from guinea pig brain membranes
50037154	6	ChEMBL_147152 (CHEMBL758177)	Binding affinity was determined against Opioid receptor delta 1 from guinea pig brain membranes
50037154	7	ChEMBL_145283 (CHEMBL751219)	Binding affinity was determined against Opioid receptor mu 1 from guinea pig brain membranes
50037156	2	ChEMBL_160294 (CHEMBL769622)	Binding affinity for Protein kinase C alpha C1a or C1b domain
50037158	7	ChEMBL_3581 (CHEMBL620714)	Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand
50037158	34	ChEMBL_3580 (CHEMBL620713)	Binding affinity towards human 5-hydroxytryptamine 5A receptor
50037158	3	ChEMBL_3779 (CHEMBL619855)	Binding affinity of compound towards rodent 5-hydroxytryptamine 7 receptor
50037158	33	ChEMBL_2221 (CHEMBL617167)	Binding affinity towards 5-HT2 receptor
50037158	35	ChEMBL_3664 (CHEMBL620800)	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50037158	36	ChEMBL_3593 (CHEMBL881821)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated using [3H]LSD as radioligand
50037158	21	ChEMBL_3600 (CHEMBL618085)	Binding affinity for rodent 5-hydroxytryptamine 5A receptor
50037158	22	ChEMBL_3662 (CHEMBL620798)	Antagonistic activity towards 5-hydroxytryptamine 6 receptor was evaluated in cAMP assay
50037158	24	ChEMBL_3614 (CHEMBL618096)	Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [125I]-2-iodo LSD as radioligand
50037158	1	ChEMBL_3594 (CHEMBL618079)	Binding affinity towards murine 5-hydroxytryptamine 5A receptor
50037158	37	ChEMBL_3749 (CHEMBL620750)	Binding affinity towards rat 5-hydroxytryptamine 7 receptor
50037158	38	ChEMBL_3688 (CHEMBL620823)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor
50037158	9	ChEMBL_3778 (CHEMBL619854)	Binding affinity towards human 5-hydroxytryptamine 7 receptor
50037162	8	ChEMBL_147030 (CHEMBL753671)	Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue
50037162	9	ChEMBL_148223 (CHEMBL754713)	Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO
50037162	10	ChEMBL_146507 (CHEMBL754616)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain
50037162	6	ChEMBL_145481 (CHEMBL751975)	Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE
50037162	11	ChEMBL_145482 (CHEMBL751976)	Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE
50037162	2	ChEMBL_145253 (CHEMBL751031)	Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593
50037162	12	ChEMBL_148867 (CHEMBL753745)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue
50037164	10	ChEMBL_147234 (CHEMBL754922)	Agonistic activity towards Opioid receptor kappa 1
50037164	8	ChEMBL_145585 (CHEMBL749730)	Effective concentration agonistic activity towards Opioid receptor mu 1
50037164	11	ChEMBL_145475 (CHEMBL751262)	Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand
50037164	12	ChEMBL_148099 (CHEMBL751581)	Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand
50037164	3	ChEMBL_145311 (CHEMBL751917)	Agonistic activity towards Opioid receptor delta 1
50011975	4	ChEBML_139010	Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrate
50011975	3	ChEBML_47632	Inhibition of cathepsin B
50011975	2	ChEBML_48524	The compound was evaluated for inhibition of cathepsin L
50037164	2	ChEMBL_145245 (CHEMBL755695)	Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand
50037185	1	ChEMBL_145474 (CHEMBL751261)	Binding affinity determined against Opioid receptor delta 1 from human cloned receptor
50037185	8	ChEMBL_146382 (CHEMBL754739)	Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig
50037185	4	ChEMBL_148098 (CHEMBL751580)	Binding affinity determined against Opioid receptor mu 1 from human cloned receptor
50037185	9	ChEMBL_147029 (CHEMBL753670)	Binding affinity of compound was determined against Opioid receptor delta 1 from a native receptor in guinea pig
50011981	1	ChEBML_221484	Inhibitory activity against recombinant p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression system
50037185	7	ChEMBL_145417 (CHEMBL747228)	Binding constant towards human Opioid receptor kappa 1 was reported
50037185	3	ChEMBL_145244 (CHEMBL755694)	Binding affinity against opioid receptor kappa 1 from human cloned receptor
50037185	10	ChEMBL_145160 (CHEMBL753420)	Binding affinity of compound was determined against Opioid receptor mu 1 from native receptor in guinea pig
50011986	1	ChEBML_209947	Thromboxane A2 synthase inhibitory activity was measured from inhibition of thromboxane B2 production in human platelet microsomes
50011987	2	ChEBML_105983	Inhibitory concentration against Matrix metalloprotease-1 was determined
50011987	1	ChEMBL_212741 (CHEMBL816559)	Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme 
50011987	4	ChEMBL_90053 (CHEMBL701924)	Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay
50011990	1	ChEBML_149202	Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)
50011990	2	ChEMBL_149202 (CHEMBL759541)	Compound was tested for displacement of 3[H] oxytocin from rat OT receptor (in vitro)
50011993	1	ChEBML_66266	Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12
50011994	1	ChEBML_66267	Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12
50011995	1	ChEMBL_50979 (CHEMBL663522)	Binding affinity against human Corticotropin releasing factor receptor 1
50037191	12	ChEMBL_43095 (CHEMBL658419)	Inhibition of Calcium/calmodulin-dependent protein kinase II
50037191	13	ChEMBL_160106 (CHEMBL767708)	Inhibition of Protein kinase C alpha
50037191	14	ChEMBL_50331 (CHEMBL660800)	Inhibition of Cyclin-dependent kinase 1
50037197	4	ChEMBL_145467 (CHEMBL751254)	Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells
50011997	3	ChEMBL_29994 (CHEMBL642182)	Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement.
50011997	5	ChEMBL_30305 (CHEMBL636450)	Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand
50011997	4	ChEMBL_30739 (CHEMBL649770)	Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells
50011997	6	ChEMBL_31834 (CHEMBL641336)	Inhibition of [125I]I-AB-MECA binding to human Adenosine A3 receptor
50011997	2	ChEMBL_29145 (CHEMBL638690)	Binding affinity of specific [3H]R-PIA binding to rat Adenosine A1 receptor in HEK293 cells
50011997	1	ChEMBL_29146 (CHEMBL639426)	Binding affinity of [3H]R-PIA for rat Adenosine A2B receptor in HEK293 cells
50011998	1	ChEMBL_39356 (CHEMBL654962)	Inhibition of Beta-adrenergic receptor kinase 1
50037198	13	ChEMBL_149204 (CHEMBL759543)	Binding affinity towards oxytocin receptor
50037198	14	ChEMBL_106187 (CHEMBL714606)	Effective concentration required for the biological activity against human Melanocortin 4 receptor
50037198	15	ChEMBL_48762 (CHEMBL666788)	Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor was determined
50037198	16	ChEMBL_147339 (CHEMBL756184)	Binding affinity towards Opioid receptor delta 1 was determined
50037198	17	ChEMBL_105998 (CHEMBL716355)	Effective concentration required for the biological activity against human Melanocortin 3 receptor
50037198	18	ChEMBL_149321 (CHEMBL756356)	Binding affinity towards Opioid receptor mu 1 was determined
50037198	5	ChEMBL_149336 (CHEMBL756439)	Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand
50037198	19	ChEMBL_105824 (CHEMBL716484)	Effective concentration required for the biological activity against human Melanocortin 1 receptor
50037198	10	ChEMBL_146970 (CHEMBL757509)	In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay, GPI
50037198	20	ChEMBL_145748 (CHEMBL752637)	In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assay, MVD
50037198	21	ChEMBL_145057 (CHEMBL753991)	Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand
50037198	22	ChEMBL_47670 (CHEMBL657382)	Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor was determined
50037219	4	ChEMBL_148230 (CHEMBL753390)	Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand
50037219	5	ChEMBL_145259 (CHEMBL751037)	Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand
50037219	6	ChEMBL_145490 (CHEMBL752133)	Binding affinity against cloned human Opioid receptor delta 1 transfected into chinese hamster ovary cells using [3H]Cl-DPDPE as radioligand
50012001	2	ChEMBL_71679 (CHEMBL681671)	Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).
50012001	1	ChEMBL_69350 (CHEMBL677586)	Inhibitory activity against the human recombinant FPPSase (Farnesyl diphosphate) enzyme
50012005	1	ChEMBL_540 (CHEMBL615561)	Inhibition of pig liver 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) enzyme
50037232	5	ChEMBL_145491 (CHEMBL752134)	Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells
50037232	6	ChEMBL_145988 (CHEMBL750582)	Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation
50037232	7	ChEMBL_145578 (CHEMBL749654)	Compound tested at 10 uM for the ability to induce Opioid receptor mu 1-mediated binding of [35S]GTP-gamma-S to G proteins in CHO membrane preparations
50012012	2	ChEMBL_62095 (CHEMBL674975)	Binding affinity (Ki) at Dopamine receptor D2 using rat caudate cells with nemonapride (0.075 nM) as a radioligand and 10 M haloperidol as a blank agent
50012012	5	ChEMBL_3697 (CHEMBL620831)	Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 7 receptor incubated with 1 nM [3H]LSD
50012012	11	ChEMBL_3624 (CHEMBL618236)	Tested on cell membranes from transfected cells selectively expressing human 5-hydroxytryptamine 6 receptor incubated with 1 nM [3H]LSD
50012012	1	ChEMBL_2723 (CHEMBL617283)	Tested on transfected cell membranes selectively expressing human 5-hydroxytryptamine 2C receptor using [3H]mesulergine
50012012	8	ChEMBL_2305 (CHEMBL617090)	Tested on genetically transfected COS7 cell membranes selectively expressing human 5-hydroxytryptamine 2A receptor, using [3H]ketanserin as radioligand
50012012	9	ChEMBL_2288 (CHEMBL617073)	Binding affinity against 5-hydroxytryptamine 2A receptor in humans
50012016	1	ChEBML_144509	In vitro inhibition concentration was evaluated on the effect of conversion by Nitric Oxide synthase of [3H]L-arginine into [3H]L-citrulline
50012016	2	ChEMBL_144510 (CHEMBL754815)	In vitro inhibition concentration was evaluated on the effect of conversion by Nitric oxide synthase of [3H]L-arginine into [3H]L-citrulline
50012018	1	ChEBML_155041	Inhibition of human recombinant phosphodiesterase 4A
50012018	2	ChEMBL_155041 (CHEMBL765483)	Inhibition of human recombinant phosphodiesterase 4A
50037244	27	ChEMBL_123852 (CHEMBL731427)	Inhibition of Mitogen activated protein kinase kinase 1 (MKK1)
50037244	28	ChEMBL_50453 (CHEMBL662173)	Inhibitory activity against DNA-DNA dependent protein kinase (DNA-PK)
50037244	23	ChEMBL_162527 (CHEMBL767431)	Inhibition of Protein kinase C (PKC)
50037244	29	ChEMBL_49607 (CHEMBL661258)	Inhibitory activity against Chymotrypsinogen from Thermus flavus
50037244	25	ChEMBL_162043 (CHEMBL766683)	Inhibition of Protein kinase A
50037244	26	ChEMBL_124327 (CHEMBL732635)	Inhibition of Mitogen-activated protein kinase p38
50037244	30	ChEMBL_103875 (CHEMBL712992)	Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus
50037244	31	ChEMBL_160272 (CHEMBL767033)	Inhibition of Protein kinase C alpha
50037244	32	ChEMBL_50655 (CHEMBL660705)	Inhibition of Cyclin-dependent kinase 2 (CDK2)
50037244	24	ChEMBL_162526 (CHEMBL767430)	Inhibition of Protein kinase C
50037244	33	ChEMBL_200373 (CHEMBL806344)	Inhibition of Src tyrosine kinase
50037249	8	ChEMBL_147243 (CHEMBL755511)	Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.
50037249	3	ChEMBL_145233 (CHEMBL755684)	Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.
50037249	4	ChEMBL_145591 (CHEMBL749736)	Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells
50037249	9	ChEMBL_145466 (CHEMBL751253)	Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.
50037249	10	ChEMBL_148088 (CHEMBL754376)	Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.
50037249	1	ChEMBL_145316 (CHEMBL751922)	Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.
50012023	4	ChEMBL_201007 (CHEMBL801928)	Inhibition of recombinant rat sorbitol dehydrogenase
50012023	2	ChEBML_201006	Inhibition of recombinant rat Sorbitol dehydrogenase
50037249	7	ChEMBL_145590 (CHEMBL749735)	Stimulation of DAMGO binding in recombinant human Opioid receptor mu 1 transfected into CHO cells
50037261	7	ChEMBL_28138 (CHEMBL644922)	Inhibitory activity towards Electrophorus electricus acetylcholinesterase
50037261	8	ChEMBL_41427 (CHEMBL654407)	Inhibitory activity towards human butyrylcholinesterase
50037261	9	ChEMBL_27820 (CHEMBL636710)	Inhibitory activity towards calf serum acetylcholinesterase
50037261	10	ChEMBL_41569 (CHEMBL655132)	Inhibitory activity towards mouse butyrylcholinesterase
50037261	4	ChEMBL_27819 (CHEMBL636709)	Inhibitory activity towards beef erythrocytes acetylcholinesterase
50037275	1	ChEMBL_145619 (CHEMBL753533)	[3H]-Cl-DPDPE competition binding assay using human cloned opioid receptor delta 1
50037275	5	ChEMBL_145340 (CHEMBL750575)	Inverse agonist potency at cloned human delta-opioid receptor
50037275	4	ChEMBL_145483 (CHEMBL751977)	Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand
50037275	3	ChEMBL_145341 (CHEMBL750576)	Inverse agonist potency at cloned human opioid receptor delta 1
50037277	2	ChEMBL_160295 (CHEMBL769623)	Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from protein kinase C alpha with phosphatidylserine
50037290	3	ChEMBL_147013 (CHEMBL756216)	Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in guinea pig caudate membranes
50037290	19	ChEMBL_146371 (CHEMBL759291)	Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes
50037290	20	ChEMBL_146906 (CHEMBL751119)	Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane
50037290	15	ChEMBL_146357 (CHEMBL753805)	Apparent binding affinity of compound was determined by antagonism towards Opioid receptor kappa 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037290	21	ChEMBL_147109 (CHEMBL758272)	Inhibitory concentration for inhibition of Opioid receptor mu 1 induced contractions in guinea pig ileum (GPI) smooth muscle assays
50037290	6	ChEMBL_146355 (CHEMBL753803)	Apparent binding affinity of compound was determined by antagonism towards Opioid receptor kappa 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50012028	6	ChEMBL_69679 (CHEMBL682017)	Inhibitory activity against factor Xa
50012028	2	ChEMBL_69680 (CHEMBL682018)	Inhibitory activity against factor Xa was determined
50012028	5	ChEBML_208868	Inhibitory activity against Factor IIa (serine protease) was determined
50012028	1	ChEBML_213048	Inhibitory activity against trypsin was determined
50012028	7	ChEMBL_49329 (CHEMBL875001)	Inhibitory activity against Coagulation factor Xa (serine protease) was determined
50012028	3	ChEBML_69680	Inhibitory activity against factor Xa was determined
50037290	7	ChEMBL_146966 (CHEMBL758124)	Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50012029	1	ChEBML_44675	Displacement of [125I]IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2
50037290	22	ChEMBL_148848 (CHEMBL753965)	Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO in rat brain membrane
50037290	23	ChEMBL_145897 (CHEMBL750386)	Inhibitory concentration required for 50 percent inhibition of opioid receptor delta 1 induced contractions in mouse vas deferens (MVD) smooth muscle contraction assays
50037290	24	ChEMBL_146967 (CHEMBL758125)	Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate; g = not active as an agonist
50012029	2	ChEMBL_44676 (CHEMBL656549)	Displacement of [125I]IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2 (CXCR2 filter mat binding assay)
50037290	8	ChEMBL_145144 (CHEMBL755289)	Apparent binding affinity of compound was determined by antagonism towards Opioid receptor mu 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037290	25	ChEMBL_146860 (CHEMBL753829)	Agonistic activity towards opioid receptor delta 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037290	9	ChEMBL_146687 (CHEMBL753765)	Inhibitory concentration required for 50% inhibition of antagonism towards Opioid receptor kappa 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037290	11	ChEMBL_146884 (CHEMBL751659)	Inhibitory concentration required for 50% inhibition of antagonism towards opioid receptor delta 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50012035	3	ChEMBL_48364 (CHEMBL661680)	Inhibition of recombinant human cathepsin L in a fluorescence assay.
50012035	5	ChEMBL_48669 (CHEMBL658340)	Inhibition of recombinant human cathepsin S in a fluorescence assay
50012035	4	ChEMBL_48337 (CHEMBL663326)	Inhibition of recombinant rabbit Cathepsin K in a fluorescence assay
50037290	13	ChEMBL_146969 (CHEMBL756714)	Antagonism of compound towards Opioid receptor mu 1 was determined using PL-017 in guinea pig ileum (GPI) smooth muscle contraction assays; d = agonist effect was observed
50012035	1	ChEMBL_48344 (CHEMBL663333)	Eq. constant (Ki) for inhibition of Cathepsin K was determined by progress curves, following hydrolysis of Z-Phe-Arg- Amc in the absence and presence of compound
50012035	2	ChEMBL_45549 (CHEMBL656679)	Inhibition of recombinant human cathepsin K in fluorescence assay
50012038	2	ChEMBL_53353 (CHEMBL664523)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma
50012038	3	ChEMBL_53211 (CHEMBL664032)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma
50012038	6	ChEMBL_53337 (CHEMBL664923)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma.
50012038	5	ChEMBL_53354 (CHEMBL664524)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma.
50012038	7	ChEMBL_53209 (CHEMBL664030)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells
50012038	1	ChEMBL_53366 (CHEMBL666612)	In vitro inhibitory activity against Dipeptidylpeptidase II (DPP-II) extracted from bovine kidney homogenate
50012038	4	ChEMBL_53210 (CHEMBL664031)	In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells.
50012039	10	ChEMBL_124166 (CHEMBL732082)	Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)
50012039	3	ChEMBL_50316 (CHEMBL661621)	Binding affinity to cyclin-dependent kinase 1 (CDK1)
50037290	16	ChEMBL_145146 (CHEMBL755434)	Apparent binding affinity of compound was determined by antagonism towards Opioid receptor mu 1 in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037290	18	ChEMBL_146359 (CHEMBL753807)	Apparent binding affinity of compound was determined by antagonism towards kappa opioid receptors in [35S]GTP-gamma-S, binding assay in guinea pig caudate
50037292	7	ChEMBL_105856 (CHEMBL717326)	Maximal agonist response of mouse melanocortin 1 receptor (MC1R)
50012039	6	ChEMBL_124151 (CHEMBL737113)	Inhibition of Mitogen-activated protein kinase 1 (MAPK-ERK2)
50037292	8	ChEMBL_106498 (CHEMBL713979)	Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor
50037292	9	ChEMBL_106164 (CHEMBL718859)	Maximal agonist response at rat melanocortin 3 receptor (MC3R)
50037292	10	ChEMBL_106669 (CHEMBL714653)	Maximum agonist response for mouse melanocortin 5 receptor (MC5R)
50037292	6	ChEMBL_105694 (CHEMBL718208)	Effective concentration required for maximum agonist response at melanocortin 1 receptor from frog skin.
50037302	6	ChEMBL_145190 (CHEMBL754435)	Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane
50037302	4	ChEMBL_147223 (CHEMBL754911)	Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes
50037302	2	ChEMBL_145574 (CHEMBL749650)	Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane
50037302	7	ChEMBL_147225 (CHEMBL754913)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane
50037302	8	ChEMBL_145572 (CHEMBL749648)	Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes
50012040	5	ChEMBL_202776 (CHEMBL809533)	Binding affinity for Src protein tyrosine kinase SH2 domain using surface plasmon resonance (SPR) assay
50012040	1	ChEMBL_202778 (CHEMBL809535)	Binding affinity towards Src protein tyrosine kinase SH2 domain using scintillation proximity binding assay (SPA)
50012041	1	ChEMBL_103857 (CHEMBL712975)	Inhibition of human macrophage migration inhibitory factor tautomerase (MIF) activity
50037344	2	ChEMBL_302767 (CHEMBL876356)	Binding affinity for human beta-2 adrenergic receptor
50037354	7	ChEMBL_303251 (CHEMBL826377)	Inhibition of [3H]naltrindole binding to human Opioid receptor delta 1
50037354	8	ChEMBL_303168 (CHEMBL829979)	Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1
50037354	9	ChEMBL_303169 (CHEMBL829980)	Inhibition of [3H]diprenorphine binding to human Opioid receptor mu 1
50037354	2	ChEMBL_310609 (CHEMBL837187)	Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor like 1
50037354	10	ChEMBL_303155 (CHEMBL829128)	Inhibition of [3H]nociceptin binding to human Opioid receptor like 1
50037354	4	ChEMBL_310598 (CHEMBL836457)	Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor mu 1
50012044	2	ChEMBL_208531 (CHEMBL813625)	In vitro inhibition of human thrombin.
50012044	4	ChEMBL_212873 (CHEMBL817823)	In vitro inhibition of human trypsin.
50012044	1	ChEMBL_222778 (CHEMBL847107)	Inhibitory effect on plasmin in bovine plasma
50012044	3	ChEMBL_49160 (CHEMBL663260)	Inhibitory effect on Coagulation factor Xa (FXa) from bovine plasma
50037356	5	ChEMBL_305514 (CHEMBL831115)	Inhibitory concentration against recombinant human Protein kinase C alpha
50037356	6	ChEMBL_305557 (CHEMBL828576)	Inhibitory concentration against recombinant human Protein kinase C beta 2
50037356	4	ChEMBL_305556 (CHEMBL828575)	Inhibitory concentration against recombinant human Protein kinase C beta 1
50037367	7	ChEMBL_303565 (CHEMBL828965)	Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand
50037383	8	ChEMBL_310467 (CHEMBL834411)	Effective concentration towards human melanocortin-5 receptor mediated cAMP accumulation in CHO cells
50037383	6	ChEMBL_310465 (CHEMBL825861)	Effective concentration towards human melanocortin-3 receptor mediated cAMP accumulation in CHO cells
50037383	7	ChEMBL_310466 (CHEMBL834410)	Effective concentration towards human melanocortin-4 receptor mediated cAMP accumulation in CHO cells
50037383	9	ChEMBL_306505 (CHEMBL828110)	Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand
50037383	10	ChEMBL_306506 (CHEMBL828111)	Concentration for 50% inhibition of human melanocortin-5 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand
50037383	11	ChEMBL_306504 (CHEMBL828109)	Concentration for 50% inhibition of human melanocortin-3 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand
50037383	5	ChEMBL_310464 (CHEMBL834409)	Effective concentration towards human melanocortin-1 receptor mediated cAMP accumulation in CHO cells
50037390	4	ChEMBL_305227 (CHEMBL831646)	Inhibition of phosphodiesterase 6 isolated from bovine retina
50037390	5	ChEMBL_305289 (CHEMBL832838)	Inhibition of phosphodiesterase 5 isolated from human platelets
50037390	3	ChEMBL_305208 (CHEMBL832461)	Inhibition of phosphodiesterase 1 isolated from bovine heart
50037391	4	ChEMBL_302595 (CHEMBL839555)	Inhibitory activity towards human Melanocortin 3 Receptor
50037391	5	ChEMBL_302572 (CHEMBL839533)	Inhibitory activity towards human Melanocortin 4 Receptor
50037391	6	ChEMBL_302571 (CHEMBL839532)	Inhibitory activity towards human Melanocortin 1 Receptor
50037392	5	ChEMBL_304242 (CHEMBL841797)	Effective concentration against liver X receptor-beta in HEK293 cell transactivation assay
50037392	8	ChEMBL_304304 (CHEMBL830099)	Effective concentration for cofactor association with recombinant liver X receptor-beta
50037392	3	ChEMBL_306648 (CHEMBL832985)	Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-beta in SPA assay
50037392	4	ChEMBL_304312 (CHEMBL830107)	Effective concentration for cofactor association with recombinant liver X receptor-alpha
50037392	7	ChEMBL_304245 (CHEMBL841800)	Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay
50037392	2	ChEMBL_306507 (CHEMBL828112)	Displacement of [3H2]-F3-methyl AA (1) from liver X receptor-alpha in SPA assay
50037412	2	ChEMBL_310554 (CHEMBL834455)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor
50037412	3	ChEMBL_310556 (CHEMBL834457)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-3 adrenergic receptor
50037412	4	ChEMBL_310555 (CHEMBL834456)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-2 adrenergic receptor
50037439	6	ChEMBL_310334 (CHEMBL840822)	Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 3 receptor
50037439	7	ChEMBL_310336 (CHEMBL832470)	Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor
50037439	4	ChEMBL_306518 (CHEMBL828123)	Inhibitory concentration to displace [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells; Control 19 nM
50037439	8	ChEMBL_310335 (CHEMBL833290)	Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 4 receptor
50037441	4	ChEMBL_303068 (CHEMBL828894)	Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand
50037441	5	ChEMBL_303256 (CHEMBL826382)	Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3H]Naltrindole as radioligand
50037441	6	ChEMBL_303170 (CHEMBL829981)	Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligand
50037462	4	ChEMBL_303422 (CHEMBL840085)	Inhibition of [3H]DAMGO binding to human Mu opioid receptor expressed in CHO cells
50037462	5	ChEMBL_303480 (CHEMBL838854)	Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells
50037462	6	ChEMBL_303501 (CHEMBL839973)	Inhibition of [3H]C1-DPDPE binding to human delta opioid receptor expressed in CHO cells
50037488	9	ChEMBL_305739 (CHEMBL829411)	Inhibitory concentration value against human cytochrome P-450 2A6
50037488	10	ChEMBL_305740 (CHEMBL829412)	Inhibitory concentration value against human cytochrome P-450 2B6
50037488	11	ChEMBL_305743 (CHEMBL829415)	Inhibitory concentration value against human cytochrome P-450 2E1
50037488	12	ChEMBL_305741 (CHEMBL829413)	Inhibitory concentration against human cytochrome P-450 2C9
50037488	13	ChEMBL_305742 (CHEMBL829414)	Inhibitory concentration value against human cytochrome P-450 2D6
50037488	14	ChEMBL_305744 (CHEMBL829416)	Inhibitory concentration value against human cytochrome P-450 3A4
50037488	3	ChEMBL_302709 (CHEMBL839581)	Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6
50037488	15	ChEMBL_305767 (CHEMBL827104)	Inhibitory concentration value against human cytochrome P-450 2C19
50012057	3	ChEMBL_214718 (CHEMBL817919)	Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]AVP as radioligand
50012057	4	ChEMBL_214412 (CHEMBL820276)	Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]AVP as radioligand
50012057	1	ChEMBL_214561 (CHEMBL820178)	Binding affinity at Vasopressin V1a receptor, performed using [3H]AVP on rat liver
50012057	2	ChEMBL_215015 (CHEMBL818813)	Binding affinity at Vasopressin V2 receptor, performed using [3H]AVP on rat kidney
50037494	31	ChEMBL_302483 (CHEMBL827174)	Inhibition of human phosphodiesterase 6
50037494	29	ChEMBL_302392 (CHEMBL875201)	Inhibition of human phosphodiesterase 7
50037494	30	ChEMBL_302391 (CHEMBL830358)	Inhibition of human phosphodiesterase 6
50037494	37	ChEMBL_302482 (CHEMBL827173)	Inhibition of human phosphodiesterase 5
50037494	36	ChEMBL_302386 (CHEMBL830353)	Inhibition of human phosphodiesterase 1
50037494	34	ChEMBL_302388 (CHEMBL830355)	Inhibition of human phosphodiesterase 3
50037494	15	ChEMBL_302390 (CHEMBL830357)	Inhibition of human phosphodiesterase 5
50037494	35	ChEMBL_302464 (CHEMBL826330)	Inhibition of human phosphodiesterase 3
50037494	32	ChEMBL_304852 (CHEMBL828411)	Inhibition of human phosphodiesterase 1
50037494	24	ChEMBL_305426 (CHEMBL830919)	Inhibition of human phosphodiesterase 3; Range = 0.5-2 uM
50037494	33	ChEMBL_302389 (CHEMBL830356)	Inhibition of human phosphodiesterase 4
50037494	25	ChEMBL_304854 (CHEMBL828413)	Inhibition of human phosphodiesterase 4
50037494	26	ChEMBL_305427 (CHEMBL830920)	Inhibition of human phosphodiesterase 4; Range = 0.8-4 uM
50037494	27	ChEMBL_304856 (CHEMBL828415)	Inhibition of human phosphodiesterase 6
50037494	28	ChEMBL_304857 (CHEMBL828416)	Inhibition of human phosphodiesterase 6
50037504	2	ChEMBL_302213 (CHEMBL826986)	Dissociation constant against T4 lysozyme mutant L99A
50037515	32	ChEMBL_304609 (CHEMBL828496)	Inhibition of CHK1 kinase
50037515	33	ChEMBL_304935 (CHEMBL826965)	Inhibition of protein kinase C alpha
50037515	31	ChEMBL_304740 (CHEMBL829339)	Inhibition of CDK2/cyclin A
50037515	30	ChEMBL_304657 (CHEMBL877306)	Inhibition of p70S6K
50037536	3	ChEMBL_305266 (CHEMBL832816)	Inhibitory concentration against human cytochrome P450 2A6
50037554	10	ChEMBL_310779 (CHEMBL834874)	Effective concentration for intracellular cAMP accumulation in human melanocortin 1 receptor expressing HEK 293 cells; (N = 4)
50037554	5	ChEMBL_310781 (CHEMBL834876)	Effective concentration for intracellular cAMP accumulation in human melanocortin 4 receptor expressing HEK 293 cells; (N = 4)
50037554	7	ChEMBL_306267 (CHEMBL827545)	Inhibition of [125I]NDP-MSH binding to Melanocortin 3 receptor expressed in HEK293 cells; (N = 4)
50037554	11	ChEMBL_310780 (CHEMBL834875)	Effective concentration for intracellular cAMP accumulation in human melanocortin 3 receptor expressing HEK 293 cells; (N = 4)
50037554	9	ChEMBL_306168 (CHEMBL830963)	Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK293 cells; N = 4
50037554	12	ChEMBL_310782 (CHEMBL835628)	Effective concentration for intracellular cAMP accumulation in human melanocortin 5 receptor expressing HEK 293 cells; (N = 4)
50037554	3	ChEMBL_304660 (CHEMBL827861)	Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK293 cells; N = 4
50037554	13	ChEMBL_306268 (CHEMBL827546)	Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK293 cells; (N = 4)
50012063	1	ChEMBL_50485 (CHEMBL658187)	Inhibition of Cyclin-dependent kinase 1-cyclin B
50037554	8	ChEMBL_306266 (CHEMBL828399)	Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)
50037611	3	ChEMBL_320965 (CHEMBL885372)	Inhibitory constant against Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells
50037611	2	ChEMBL_320883 (CHEMBL884808)	Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase
50037611	1	ChEMBL_320930 (CHEMBL881474)	Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells
50037621	69	ChEMBL_321198 (CHEMBL882122)	Inhibitory concentration against thromboxane A2 receptor
50037621	81	ChEMBL_321211 (CHEMBL882939)	Inhibitory concentration against prostaglandin G/H synthase
50037621	76	ChEMBL_321202 (CHEMBL882930)	Inhibitory concentration against alpha adrenergic receptor
50037621	83	ChEMBL_321279 (CHEMBL857667)	Inhibitory concentration against platelet-derived growth factor receptor
50037621	78	ChEMBL_321062 (CHEMBL884947)	Negative logarithm causing 50% receptor occupancy against serotonin transporter
50037621	67	ChEMBL_320002 (CHEMBL880278)	Inhibitory concentration against Cholecystokinin B receptor
50037621	79	ChEMBL_321063 (CHEMBL872146)	Negative logarithm causing 50% receptor occupancy against tachykinin receptor 1
50037621	5	ChEMBL_320761 (CHEMBL884575)	Inhibition constant against 5-hydroxytryptamine 1A receptor
50037621	77	ChEMBL_321064 (CHEMBL872147)	Negative logarithm causing 50% receptor occupancy against beta-2 adrenergic receptor
50037621	82	ChEMBL_321068 (CHEMBL872151)	Negative logarithm causing 50% receptor occupancy against 5-hydroxytryptamine 1A receptor
50037621	13	ChEMBL_320752 (CHEMBL881225)	Inhibition constant against serotonin transporter
50037621	84	ChEMBL_321191 (CHEMBL882920)	Inhibitory concentration against protein kinase C alpha
50037621	47	ChEMBL_321145 (CHEMBL872201)	Inhibitory concentration against gastrin receptor
50037621	85	ChEMBL_321199 (CHEMBL882123)	Inhibitory concentration against thromboxane A2 synthase
50037621	75	ChEMBL_320756 (CHEMBL884570)	Inhibition constant against alpha adrenergic receptor
50037621	86	ChEMBL_321423 (CHEMBL881954)	Inhibitory concentration against LTD4-induced contraction of guinea pig ileum at 10 uM concentration
50037621	80	ChEMBL_320763 (CHEMBL884718)	Inhibition constant against angiotensin I converting enzyme
50037654	6	ChEMBL_330098 (CHEMBL858980)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50037654	7	ChEMBL_330105 (CHEMBL863310)	Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037654	3	ChEMBL_330099 (CHEMBL858981)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells
50037654	1	ChEMBL_330097 (CHEMBL858889)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50037654	8	ChEMBL_330103 (CHEMBL863309)	Activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037657	27	ChEMBL_420086 (CHEMBL855347)	Inhibition of Aurora-B immunoprecipitated from mitotic cells
50037657	28	ChEMBL_330882 (CHEMBL861926)	Inhibition of Aurora A kinase activity
50037657	3	ChEMBL_420093 (CHEMBL873736)	Inhibition of in vitro Aurora-B kinase activity
50037657	25	ChEMBL_330901 (CHEMBL862115)	Inhibitory activity against PKA
50037657	26	ChEMBL_330895 (CHEMBL862054)	Inhibitory activity against FGFR
50037657	29	ChEMBL_420094 (CHEMBL873737)	Inhibition of in vitro CDK1 kinase activity
50037657	14	ChEMBL_420089 (CHEMBL873732)	In vitro inhibition constant for Aurora-B
50037659	17	ChEMBL_332087 (CHEMBL858809)	Binding affinity to adrenergic beta-2 receptor
50037659	13	ChEMBL_332085 (CHEMBL858807)	Binding affinity to adrenergic alpha-2 receptor
50037659	15	ChEMBL_332070 (CHEMBL859602)	Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat
50037659	18	ChEMBL_332073 (CHEMBL859606)	Agonism at 5HT4 receptor in rat tunica muscularis mucosa
50037659	14	ChEMBL_332084 (CHEMBL858806)	Binding affinity to adrenergic alpha-1 receptor
50018115	8	ChEMBL_2264665	Inhibition of CDK5 (unknown origin)
50037659	16	ChEMBL_332081 (CHEMBL858800)	Binding affinity to 5HT2 receptor
50037672	10	ChEMBL_335168 (CHEMBL861290)	Inhibition of [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells
50037672	9	ChEMBL_335172 (CHEMBL861294)	Agonist activity at mu opioid receptor by inhibition of muscle contraction in electrically stimulated isolated guinea pig ileum at 1 uM
50037672	6	ChEMBL_335164 (CHEMBL861286)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells
50037672	8	ChEMBL_335165 (CHEMBL861287)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells
50037672	11	ChEMBL_335169 (CHEMBL861291)	Inhibition of [35S]GTP-gamma-S binding to rat mu opioid receptor expressed in CHO cells
50037672	12	ChEMBL_335166 (CHEMBL861288)	Displacement of [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells
50037672	13	ChEMBL_335167 (CHEMBL861289)	Displacement of [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells
50037687	18	ChEMBL_346250 (CHEMBL861205)	Inhibitory activity against PKC alpha
50037687	17	ChEMBL_346248 (CHEMBL861203)	Inhibitory activity against PKA
50037687	16	ChEMBL_346252 (CHEMBL861207)	Inhibition of CDK1/cyclinB
50037687	15	ChEMBL_346243 (CHEMBL861198)	Inhibitory activity against recombinant human FGFR
50037687	14	ChEMBL_346244 (CHEMBL861199)	Inhibitory activity against recombinant human PDGFR
50037725	5	ChEMBL_366645 (CHEMBL865967)	Binding affinity to mu opioid receptor
50037725	6	ChEMBL_366649 (CHEMBL864803)	Agonist activity at mu opioid receptor by guinea pig ileum assay
50037725	7	ChEMBL_366644 (CHEMBL864704)	Binding affinity to delta opioid receptor
50037725	8	ChEMBL_366648 (CHEMBL865970)	Agonist activity at delta opioid receptor by mouse vas deferens assay
50037739	4	ChEMBL_376241 (CHEMBL869294)	Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells
50037742	5	ChEMBL_378705 (CHEMBL853453)	Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain
50037742	6	ChEMBL_378703 (CHEMBL853451)	Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain
50037742	7	ChEMBL_378704 (CHEMBL853452)	Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain
50037742	8	ChEMBL_378702 (CHEMBL853450)	Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain
50037744	7	ChEMBL_379380 (CHEMBL864837)	Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells
50037744	8	ChEMBL_379381 (CHEMBL864838)	Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells
50037744	9	ChEMBL_379378 (CHEMBL864835)	Inhibition of [3H]glycine uptake at GlyT1
50037744	10	ChEMBL_379379 (CHEMBL864836)	Inhibition of [3H]glycine uptake at GlyT2
50012066	3	ChEBML_124642	Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2
50012066	1	ChEBML_124651	Inhibition of Mitogen-activated protein kinase p38 beta
50012066	2	ChEBML_88298	Inhibition of human epidermal growth factor receptor-2
50012067	1	ChEBML_27418	Effective concentration against Adenosine A1 receptor
50037750	10	ChEMBL_386443 (CHEMBL864222)	Stimulation of [35S]GTP-gamma-S binding to human recombinant KOR
50037750	11	ChEMBL_386433 (CHEMBL854558)	Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells
50037750	5	ChEMBL_386441 (CHEMBL864220)	Stimulation of [35S]GTP-gamma-S binding to human recombinant DOR
50037750	12	ChEMBL_386435 (CHEMBL863623)	Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells
50037750	3	ChEMBL_386437 (CHEMBL863625)	Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells
50037750	9	ChEMBL_386436 (CHEMBL863624)	Binding affinity to DOR in guinea pig brain membrane
50037750	4	ChEMBL_386439 (CHEMBL864218)	Stimulation of [35S]GTPgammaS binding to human recombinant MOR
50037758	10	ChEMBL_392922 (CHEMBL870416)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50037758	8	ChEMBL_392929 (CHEMBL870423)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037758	9	ChEMBL_392925 (CHEMBL870419)	Antagonist activity against human kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding
50037758	11	ChEMBL_392921 (CHEMBL870415)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50037758	7	ChEMBL_392926 (CHEMBL870420)	Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTP-gamma-S binding
50037758	12	ChEMBL_392923 (CHEMBL870417)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells
50037758	5	ChEMBL_392924 (CHEMBL870418)	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50037770	53	ChEMBL_404539 (CHEMBL910922)	Inhibition of MAPK1
50037770	68	ChEMBL_404550 (CHEMBL910933)	Inhibition of PKA
50037770	69	ChEMBL_404509 (CHEMBL910892)	Inhibition of CDK1
50037770	70	ChEMBL_404553 (CHEMBL910936)	Inhibition of PKCalpha
50037770	71	ChEMBL_404524 (CHEMBL910907)	Inhibition of ERK2
50037770	72	ChEMBL_404520 (CHEMBL910903)	Inhibition of Chk1
50012075	2	ChEMBL_70141 (CHEMBL685964)	In vitro inhibition of bovine Farnesyltransferase.
50012076	1	ChEBML_139012	Tested for inhibitory activity against porcine erythrocyte Mu-calpain
50037770	73	ChEMBL_404560 (CHEMBL910943)	Inhibition of PKCeta
50037770	74	ChEMBL_404562 (CHEMBL910945)	Inhibition of PKD2
50037774	14	ChEMBL_410541 (CHEMBL910610)	Activity at human dopamine D1 receptor expressed in HEK293 cells assessed as stimulation of cAMP production
50037774	15	ChEMBL_410540 (CHEMBL911249)	Displacement of [3H]spiperone from dopamine D2-like receptor in porcine striata homogenate
50037774	16	ChEMBL_410545 (CHEMBL912415)	Activity at human dopamine D4.4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production
50037774	17	ChEMBL_410552 (CHEMBL912421)	Binding affinity to human cloned adrenergic alpha 2B receptor receptor
50037783	3	ChEMBL_416476 (CHEMBL907189)	Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037783	13	ChEMBL_416469 (CHEMBL907182)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate
50037783	14	ChEMBL_416465 (CHEMBL907787)	Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells
50037783	9	ChEMBL_416470 (CHEMBL907183)	Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate
50037783	15	ChEMBL_416474 (CHEMBL907187)	Activity at human recombinant mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037783	16	ChEMBL_416468 (CHEMBL907181)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate
50037783	2	ChEMBL_416463 (CHEMBL907785)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells
50037783	17	ChEMBL_416464 (CHEMBL907786)	Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells
50037783	4	ChEMBL_416478 (CHEMBL907191)	Activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50012085	13	ChEMBL_207871 (CHEMBL808449)	Inhibitory activity against tissue plasminogen activator
50012085	3	ChEMBL_212715 (CHEMBL818174)	Inhibitory activity against trypsin
50012085	4	ChEMBL_49316 (CHEMBL660835)	Tested for binding affinity against human Coagulation factor Xa (trypsin-like serine protease)
50012085	2	ChEBML_49164	Inhibitory activity against coagulation factor Xa
50012085	7	ChEBML_27845	Inhibitory activity against activated protein C
50012085	6	ChEBML_208537	Tested for the binding affinity against thrombin
50012085	5	ChEMBL_208537 (CHEMBL813631)	Tested for the binding affinity against thrombin
50012085	8	ChEBML_212875	Tested for the binding affinity against trypsin
50012086	1	ChEBML_155419	Tested in vitro for the inhibitory activity against plasmin
50012086	6	ChEBML_48983	Tested in vitro for the inhibitory activity against Coagulation factor X
50012086	5	ChEBML_213054	Tested in vitro for the inhibitory activity against trypsin
50012086	4	ChEBML_208879	Tested in vitro for the inhibitory activity against thrombin
50012086	3	ChEBML_208039	Tested in vitro for the inhibitory activity against Tissue plasminogen activator (tissue plasminogen activator)
50037783	11	ChEMBL_416473 (CHEMBL907186)	Displacement of [3H]diprenorphine from human recombinant delta opioid receptor expressed in C6 cells
50012086	2	ChEMBL_48983 (CHEMBL663512)	Tested in vitro for the inhibitory activity against Coagulation factor X
50012087	2	ChEBML_47852	Inhibitory activity against Class C beta-lactamase
50012087	1	ChEBML_206310	Inhibitory activity against class A TEM-1 beta-lactamase
50012088	1	ChEBML_48311	In vitro inhibitory activity against human Coagulation factor IIa
50012088	3	ChEBML_212853	In vitro inhibitory activity against human trypsin
50012088	2	ChEBML_49304	In vitro inhibitory activity against human Coagulation factor Xa
50012089	2	ChEBML_212859	In vitro inhibitory potency against Trypsin
50012089	3	ChEBML_48312	Inhibition of Coagulation factor IIa
50012089	1	ChEBML_49305	Inhibition of Coagulation factor Xa
50037789	7	ChEMBL_422418 (CHEMBL909853)	Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells
50037789	5	ChEMBL_422424 (CHEMBL909300)	Antagonist activity assessed as inhibition of BW373U86-stimulated [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells
50037789	8	ChEMBL_422422 (CHEMBL909298)	Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells
50037789	1	ChEMBL_422416 (CHEMBL909851)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells
50012092	8	ChEBML_221309	Inhibition of human p56 Lck tyrosine kinase (lck64-509)
50012092	18	ChEBML_202609	Inhibition of Src protein tyrosine kinase
50012092	15	ChEBML_221302	Inhibition of human p55 Fyn tyrosine kinase.
50012092	11	ChEMBL_206662 (CHEMBL809316)	Inhibition of TIE-2 kinase.
50012092	16	ChEBML_35160	Inhibition of human B lymphoid tyrosine kinase
50012092	5	ChEMBL_210894 (CHEMBL814626)	Inhibition of human Tyrosine-protein kinase CSK
50012092	3	ChEBML_221636	Inhibition of human p56 Lyn tyrosine kinase
50012092	9	ChEBML_217763	Inhibition of Zeta-chain (TCR) associated protein kinase 70kDa, Zap70 (Inactive at 1 mM ATP)
50012092	13	ChEBML_206662	Inhibition of TIE-2 kinase.
50012092	12	ChEBML_48866	Inhibition of Cell division control protein 2, Cdk-1 (Inactive at 1 mM ATP)
50012092	19	ChEMBL_162211 (CHEMBL767219)	Inhibition of Protein kinase C (Inactive at 1 mM ATP)
50012092	6	ChEBML_52346	Inhibition of human Csk tyrosine kinase
50012092	17	ChEBML_217518	Inhibition of cMet kinase (Inactive at 1 mM ATP)
50012092	7	ChEBML_213967	Inhibition of Vascular endothelial growth factor receptor 2
50012092	14	ChEMBL_206660 (CHEMBL883493)	Inhibition of TIE-2 kinase
50012094	1	ChEMBL_48534 (CHEMBL660279)	Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein
50012095	3	ChEMBL_46637 (CHEMBL658893)	Binding affinity in a competition assay by displacement of [3H]- SR-141716 from Cannabinoid receptor 1 in rat whole brain membrane preparation
50012095	1	ChEMBL_46636 (CHEMBL658892)	Binding affinity in a competition assay by displacement of [3H]CP-55940 from Cannabinoid receptor 1 in rat whole brain membrane preparation
50012095	2	ChEMBL_46980 (CHEMBL659747)	Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]CP-55940 as radioligand
50037789	9	ChEMBL_422417 (CHEMBL909852)	Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells
50037789	4	ChEMBL_422423 (CHEMBL909299)	Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells
50012101	4	ChEMBL_105083 (CHEMBL710854)	Intrinsic activity of Melatonin receptor type 1A evaluated on [35S]GTP-gamma-S, binding in Chinese hamster ovarian (CHO) cells
50012101	3	ChEMBL_105099 (CHEMBL714106)	Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]iodomelatonin as radioligand.
50012101	5	ChEMBL_105081 (CHEMBL711326)	Intrinsic activity evaluated on [35S]GTP -gamma-S binding in Chinese hamster ovarian (CHO) cells, stably expressing human Melatonin receptor type 1A
50012101	7	ChEMBL_105250 (CHEMBL710586)	Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]GTP-gamma-S, binding in Chinese hamster ovarian (CHO) cells
50012101	1	ChEMBL_105263 (CHEMBL715855)	Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]iodomelatonin as radioligand.
50012101	2	ChEMBL_105082 (CHEMBL710853)	Intrinsic activity evaluated on [35S]GTP -gamma-S binding in hamster ovarian (CHO) cells, stably expressing human Melatonin receptor type 1A
50012101	6	ChEMBL_105249 (CHEMBL709924)	Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]GTP-gamma-S, binding in Chinese hamster ovarian (CHO) cells
50037790	10	ChEMBL_422437 (CHEMBL909312)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells
50037790	3	ChEMBL_422443 (CHEMBL909317)	Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S binding
50037790	11	ChEMBL_422438 (CHEMBL909313)	Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells
50037790	12	ChEMBL_422439 (CHEMBL908255)	Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells
50037790	7	ChEMBL_422445 (CHEMBL909319)	Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037790	9	ChEMBL_422447 (CHEMBL909321)	Agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037790	6	ChEMBL_422449 (CHEMBL854838)	Antagonist activity against human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S binding
50037801	11	ChEMBL_423309 (CHEMBL909371)	Inhibition of human CYP2A6
50037821	6	ChEMBL_424815 (CHEMBL909059)	Inhibition of human GlyT2
50037831	2	ChEMBL_428079 (CHEMBL914810)	Displacement of [3H]PDBu from PKCalpha
50012105	2	ChEMBL_143415 (CHEMBL750057)	Potency to displace [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 immuno-isolated from M10 cells
50037853	2	ChEMBL_430155 (CHEMBL919064)	Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells
50037853	7	ChEMBL_430158 (CHEMBL919067)	Activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50037853	8	ChEMBL_430160 (CHEMBL919069)	Activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037853	9	ChEMBL_430153 (CHEMBL919062)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells
50037853	5	ChEMBL_430156 (CHEMBL919065)	Activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037241	24	ChEMBL_144959 (CHEMBL755077)	Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes)
50037288	32	ChEMBL_33328 (CHEMBL645479)	Binding affinity towards human alpha-2 adrenergic receptor
50037288	31	ChEMBL_33242 (CHEMBL643522)	Binding affinity towards human alpha-1 adrenergic receptor
50012110	1	ChEMBL_87852 (CHEMBL701992)	Inhibition against partially purified human histone deacetylase 1 (HDAC-1)
50012114	1	ChEBML_538	In vitro inhibition against of 4-Hydroxyphenylpyruvate dioxygenase (4-HPPD) from pig liver by the enol borate method
50012116	1	ChEBML_158977	Tested in vitro for inhibitory activity against Protease
50012117	1	ChEBML_64361	Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 uM
50037853	3	ChEMBL_430154 (CHEMBL919063)	Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells
50012122	1	ChEMBL_205740 (CHEMBL812334)	Tested for inhibitory concentration expressed as displacement of [125I]-labeled substance P from the cloned human Tachykinin receptor 1 expressed in CHO cells
50012123	2	ChEMBL_205711 (CHEMBL807958)	Displacement of [125 I] -labelled substance P from the cloned Tachykinin receptor 1 expressed in CHO cells
50012123	1	ChEBML_205711	Displacement of [125 I] -labelled substance P from the cloned Tachykinin receptor 1 expressed in CHO cells
50037876	3	ChEMBL_434340 (CHEMBL919398)	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding
50037876	5	ChEMBL_434338 (CHEMBL919396)	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037876	8	ChEMBL_434328 (CHEMBL917909)	Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells
50037876	9	ChEMBL_434330 (CHEMBL917911)	Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells
50037876	10	ChEMBL_434334 (CHEMBL919392)	Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50037876	1	ChEMBL_434336 (CHEMBL919394)	Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as inhibition of U-50488-stimulated [35S]GTP-gamma-S binding
50012125	5	ChEBML_144132	Tested for radioligand binding affinity against membranes from COS-7 cells transiently transfected with Neuropeptide Y receptor type 5
50012125	1	ChEBML_144137	Functional response of NPY to inhibit forskolin-stimulated cAMP in cells stably transfected with rat Neuropeptide Y receptor type 5
50012125	3	ChEBML_60077	Binding affinity against cloned human Dopamine receptor D2 was evaluated
50012125	4	ChEBML_143837	Functional response of NPY to inhibit forskolin-stimulated cAMP in cells stably transfected with Neuropeptide Y receptor type 1
50012125	2	ChEBML_33531	Bnding affinity against cloned human Alpha-2C adrenergic receptor was evaluated
50012126	1	ChEBML_144131	Displacement of [125I]PYY from human Neuropeptide Y receptor type 5 in COS-7 cell membranes
50037876	6	ChEMBL_434329 (CHEMBL917910)	Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells
50037878	2	ChEMBL_434962 (CHEMBL919363)	Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK cell membranes
50037884	11	ChEMBL_436122 (CHEMBL905524)	Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells
50037884	12	ChEMBL_436123 (CHEMBL905525)	Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells
50037884	13	ChEMBL_436121 (CHEMBL905523)	Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells
50037884	14	ChEMBL_436120 (CHEMBL905522)	Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells
50037903	7	ChEMBL_438284 (CHEMBL887390)	Displacement of [3H]naltrindole from human delta opioid receptors expressed in CHO cell membrane
50037903	8	ChEMBL_438282 (CHEMBL887388)	Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell membrane
50037903	4	ChEMBL_438290 (CHEMBL887396)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTP-gamma-S binding
50037903	9	ChEMBL_438288 (CHEMBL887394)	Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding
50037903	6	ChEMBL_438283 (CHEMBL887389)	Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane
50012135	1	ChEMBL_143354 (CHEMBL751278)	Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)
50037903	2	ChEMBL_438291 (CHEMBL887397)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as DAMGO-stimulated [35S]GTP-gamma-S binding
50012140	8	ChEMBL_221652 (CHEMBL823229)	Selectivity against p59 Fyn tyrosine kinase
50012140	1	ChEMBL_68343 (CHEMBL680864)	Selectivity against Extracellular signal-regulated kinase 1 (Erk-1)
50012140	14	ChEMBL_217775 (CHEMBL824037)	Selectivity against Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70)
50037909	6	ChEMBL_438624 (CHEMBL888955)	Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membranes
50012140	11	ChEMBL_90507 (CHEMBL702052)	Selectivity against I-kappa-B-kinase beta
50012140	3	ChEMBL_163468 (CHEMBL772303)	Selectivity against RAF proto-oncogene serine/threonine-protein kinase (c-Raf-1)
50037909	7	ChEMBL_438623 (CHEMBL888954)	Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membranes
50012140	4	ChEMBL_206958 (CHEMBL816641)	Selectivity against Syk protein tyrosine kinase
50012140	2	ChEMBL_221503 (CHEMBL841486)	Selectivity against p56 Lck tyrosine kinase
50012140	13	ChEMBL_78901 (CHEMBL692794)	Selectivity against HER2 kinase
50012140	5	ChEMBL_67215 (CHEMBL677531)	Selectivity against Epidermal growth factor receptor
50037909	1	ChEMBL_438633 (CHEMBL888964)	Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50012140	16	ChEMBL_216825 (CHEMBL816404)	Selectivity against c-Jun N-terminal kinase 2-alpha 2 protein kinase
50037909	8	ChEMBL_438625 (CHEMBL888956)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membranes
50037909	9	ChEMBL_438621 (CHEMBL888952)	Displacement of [125I][14Tyr]nociceptin FQ from human cloned NOP receptor expressed in CHO cell membranes
50037912	3	ChEMBL_438742 (CHEMBL887899)	Displacement of [3H]-fMLP from FPR in human neutrophils
50037913	2	ChEMBL_438806 (CHEMBL889143)	Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP
50037918	6	ChEMBL_439882 (CHEMBL890203)	Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells
50037918	7	ChEMBL_439881 (CHEMBL890202)	Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells
50037918	8	ChEMBL_439880 (CHEMBL890201)	Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells
50037918	3	ChEMBL_439887 (CHEMBL890208)	Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037918	5	ChEMBL_439885 (CHEMBL890206)	Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037967	5	ChEMBL_446658 (CHEMBL896953)	Displacement of [3H]U-69593 from human cloned kappa opioid receptor
50037967	3	ChEMBL_446660 (CHEMBL896955)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037967	7	ChEMBL_446661 (CHEMBL896956)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037967	4	ChEMBL_446657 (CHEMBL896952)	Displacement of [3H]DAMGO from human cloned mu opioid receptor
50037967	8	ChEMBL_446659 (CHEMBL896954)	Displacement of [3H]DPDPE from human cloned delta opioid receptor
50012146	5	ChEMBL_158524 (CHEMBL768951)	Inhibition of Platelet-derived growth factor receptor beta phosphorylation
50012146	16	ChEMBL_202772 (CHEMBL873261)	Inhibition of Src protein tyrosine kinase
50012146	6	ChEMBL_158511 (CHEMBL764074)	Inhibition of Platelet-derived growth factor receptor alpha
50012146	4	ChEMBL_68356 (CHEMBL679498)	Inhibition of Flt3 kinase
50012146	13	ChEMBL_216679 (CHEMBL820292)	Inhibition of c-Jun N-terminal kinase 1
50012146	9	ChEMBL_123985 (CHEMBL732663)	Inhibition of MKK-3, Mitogen activated protein kinase kinase 3
50012146	10	ChEMBL_123998 (CHEMBL734026)	Inhibition of MKK-6, Mitogen activated protein kinase kinase 6
50012146	17	ChEMBL_123854 (CHEMBL731429)	Inhibition of MEK, Mitogen activated protein kinase kinase 1
50012146	19	ChEMBL_105477 (CHEMBL708307)	Inhibition of Mast/stem cell growth factor receptor (c-Kit kinase)
50012146	3	ChEMBL_67212 (CHEMBL678297)	Inhibition of Epidermal growth factor receptor
50012146	11	ChEMBL_214241 (CHEMBL819559)	Inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2)
50012146	1	ChEMBL_68346 (CHEMBL679489)	Inhibition of Extracellular signal-regulated kinase 2 (Erk2)
50012146	15	ChEMBL_47911 (CHEMBL657538)	Inhibition of Colony stimulating factor 1 receptor (CSF-1R)
50012146	14	ChEMBL_158678 (CHEMBL766068)	Inhibition of Platelet-derived growth factor receptor beta
50037967	9	ChEMBL_446662 (CHEMBL896951)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50012146	12	ChEMBL_158679 (CHEMBL766069)	Inhibition of Platelet-derived growth factor receptor beta
50037984	18	ChEMBL_449979 (CHEMBL899087)	Activity at human CHK1 in CA46 cells by histone H3 ELISA assay
50037984	3	ChEMBL_449978 (CHEMBL899086)	Inhibition of human CHK1 expressed in baculovirus/insect cell system
50037984	19	ChEMBL_450016 (CHEMBL899112)	Inhibition of CDK1 expressed in Sf21 cells
50037988	2	ChEMBL_450127 (CHEMBL900403)	Agonist activity at human recombinant adrenergic beta-2 receptor expressed in CHO cells assessed as elevation in cAMP levels
50012151	1	ChEMBL_212265 (CHEMBL878971)	Inhibition of Pseudomonas aeruginosa UDP-3-O-acyl-N-acetylglucosamine Deacetylase (LpxC) in vitro.
50037996	4	ChEMBL_451932 (CHEMBL901090)	Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells
50037996	5	ChEMBL_451933 (CHEMBL901091)	Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells
50012154	1	ChEMBL_138186 (CHEMBL749207)	Inhibitory activity against Muscarinic acetylcholine receptor M2
50037996	6	ChEMBL_451931 (CHEMBL901089)	Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells
50037997	4	ChEMBL_451971 (CHEMBL901129)	Binding affinity to BACE1 expressed in HEK293 cells by Biocore ISA
50037997	2	ChEMBL_451973 (CHEMBL901131)	Inhibition of BACE1
50038013	4	ChEMBL_454216 (CHEMBL903399)	Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells
50038020	6	ChEMBL_454819 (CHEMBL886847)	Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay
50038040	2	ChEMBL_457662 (CHEMBL923939)	Inhibition of Chk1
50038050	8	ChEMBL_458378 (CHEMBL941712)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells
50038050	9	ChEMBL_458379 (CHEMBL941713)	Displacement of [3H]naltrindole from delta opioid receptor expressed in CHO cells
50038050	6	ChEMBL_458382 (CHEMBL942701)	Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay
50038050	10	ChEMBL_458383 (CHEMBL942702)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay
50038050	7	ChEMBL_458384 (CHEMBL942703)	Antagonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO induced [35S]GTP-gamma-S binding
50038050	5	ChEMBL_458380 (CHEMBL941714)	Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells
50038050	2	ChEMBL_458381 (CHEMBL941715)	Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50038051	111	ChEMBL_458388 (CHEMBL942709)	Inhibition of Chk1
50038051	112	ChEMBL_458489 (CHEMBL941805)	Inhibition of PKD2
50012160	1	ChEMBL_35527 (CHEMBL649553)	Binding affinity towards AmpC beta-lactamase binding site from Escherichia coli
50038051	113	ChEMBL_458509 (CHEMBL941825)	Inhibition of CDC2
50038051	17	ChEMBL_458447 (CHEMBL941765)	Inhibition of HIPK2
50038059	2	ChEMBL_459305 (CHEMBL926464)	Binding affinity to delta opioid receptor
50038067	8	ChEMBL_460499 (CHEMBL926579)	Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50038067	4	ChEMBL_460505 (CHEMBL926585)	Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50038067	9	ChEMBL_460504 (CHEMBL926584)	Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells
50038067	10	ChEMBL_460496 (CHEMBL926576)	Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells
50038067	11	ChEMBL_460495 (CHEMBL926575)	Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells
50038067	12	ChEMBL_460497 (CHEMBL926577)	Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells
50038067	6	ChEMBL_460498 (CHEMBL926578)	Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50038067	3	ChEMBL_460500 (CHEMBL926580)	Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50038080	16	ChEMBL_462127 (CHEMBL945901)	Inhibition of BACE1
50038080	2	ChEMBL_462128 (CHEMBL945902)	Inhibition of human AchE induced amyloid beta40 aggregation
50038080	17	ChEMBL_462117 (CHEMBL945890)	Inhibition of human AchE
50038080	15	ChEMBL_462131 (CHEMBL945905)	Binding affinity to human dopaminergic D2 receptor
50038080	12	ChEMBL_462132 (CHEMBL945906)	Binding affinity to human dopaminergic D3 receptor
50038080	18	ChEMBL_462123 (CHEMBL945897)	Binding affinity to 5HT3 receptor
50038080	14	ChEMBL_462134 (CHEMBL945908)	Binding affinity to human 5HT1A receptor
50038080	13	ChEMBL_462133 (CHEMBL945907)	Binding affinity to human dopaminergic D4 receptor
50038101	3	ChEMBL_463672 (CHEMBL929819)	Inhibition of human recombinant BACE1 by spectrofluorimetric method
50038113	3	ChEMBL_463884 (CHEMBL934180)	Inhibition of human ACAT1 expressed in insect Hi5 cells
50038134	4	ChEMBL_464495 (CHEMBL931997)	Inhibition of Aurora B kinase
50038145	4	ChEMBL_464799 (CHEMBL946838)	Inhibition of human BACE1
50038145	6	ChEMBL_464801 (CHEMBL946840)	Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISA
50038149	3	ChEMBL_464832 (CHEMBL930550)	Inhibition of BACE1
50012164	4	ChEMBL_63054 (CHEMBL673621)	The binding affinity at the Dopamine receptor D2 determined using [3H]spiperone
50012164	6	ChEMBL_2679 (CHEMBL617927)	The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H]ketanserin
50012164	2	ChEMBL_198046 (CHEMBL804188)	The binding affinity at the 5-HT reuptake sites determined using competition binding assay
50012164	7	ChEMBL_60823 (CHEMBL675812)	The binding affinity at the Dopamine receptor D4 determined using [3H]YM-09151-2
50012164	10	ChEMBL_142632 (CHEMBL746900)	The binding affinity at the Norepinephrine transporter reuptake sites determined using competition binding assay
50012164	3	ChEMBL_956 (CHEMBL616135)	The binding affinity at the 5-hydroxytryptamine 1A receptor determined using [3H]5-CT
50012164	5	ChEMBL_3007 (CHEMBL620448)	The binding affinity at 5-hydroxytryptamine 3 receptor was determined using [3H]LY-278584
50012164	15	ChEMBL_1641 (CHEMBL616733)	The binding affinity at 5-hydroxytryptamine 1D receptor was determined using [3H]5-CT
50012164	12	ChEMBL_2840 (CHEMBL872921)	The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H]mesulergine
50012164	9	ChEMBL_62430 (CHEMBL878163)	The binding affinity at the Dopamine receptor D3 determined using [3H]spiperone
50012166	1	ChEMBL_87872 (CHEMBL697294)	Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 2 preparation
50012166	3	ChEMBL_87850 (CHEMBL701990)	Inhibition of in vitro enzyme activity measured in a highly purified maize Histone deacetylase 1 preparation
50038160	3	ChEMBL_465235 (CHEMBL933029)	Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells
50038160	4	ChEMBL_465236 (CHEMBL933030)	Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells
50038160	7	ChEMBL_465243 (CHEMBL933037)	Agonist activity at human MC4 receptor
50038160	8	ChEMBL_465239 (CHEMBL933033)	Agonist activity at human MC3 receptor expressed in HEK293 cells
50038160	9	ChEMBL_465240 (CHEMBL933034)	Agonist activity at human MC4 receptor expressed in HEK293 cells
50012167	6	ChEMBL_210491 (CHEMBL814598)	Binding affinity against human Thyroid hormone receptor alpha-1 (hTRalpha1) using radiolabeled T3
50012167	3	ChEMBL_210502 (CHEMBL811897)	Binding affinity against human Thyroid hormone receptor beta 1 (hTRbeta1) using radiolabeled T3
50012167	1	ChEMBL_210499 (CHEMBL811714)	Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)
50012167	4	ChEMBL_210501 (CHEMBL811896)	Half-maximum activation of human Thyroid hormone receptor beta 1 (hTRbeta1)
50012167	2	ChEMBL_210488 (CHEMBL814595)	Half-maximum activation of human Thyroid hormone receptor alpha-1 (hTRalpha1)
50012167	5	ChEMBL_210490 (CHEMBL814597)	Half-maximum activation of human Thyroid hormone receptor alpha-1 (hTRalpha1)
50012168	1	ChEMBL_159324 (CHEMBL769377)	Concentration required to inhibit HIV-1 protease cleavage by 50%.
50038160	10	ChEMBL_465238 (CHEMBL933032)	Agonist activity at human MC1 receptor expressed in HEK293 cells
50038161	3	ChEMBL_465257 (CHEMBL930527)	Inhibition of BACE1
50038161	1	ChEMBL_465254 (CHEMBL930524)	Inhibition of human recombinant BACE1
50038173	5	ChEMBL_465635 (CHEMBL951210)	Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA
50038191	1	ChEMBL_466180 (CHEMBL947944)	Binding affinity to BACE1 by surface plasmon resonance method
50038191	3	ChEMBL_466181 (CHEMBL947945)	Inhibition of BACE1
50038202	58	ChEMBL_466538 (CHEMBL928136)	Displacement of [3H](-)CGP-12177 from adrenergic beta2 receptor
50038202	12	ChEMBL_466468 (CHEMBL931278)	Inhibition of human Nav1.3 channel expressed in HEK293 cells at -120 mV by patch clamp method
50038202	8	ChEMBL_466464 (CHEMBL931274)	Inhibition of human Nav1.8 channel expressed in HEK293 cells at -100 mV by patch clamp method
50038202	6	ChEMBL_466463 (CHEMBL931273)	Inhibition of Nav1.8 channel in rat dorsal root ganglion neurons assessed as blockade of TTX-R current by patch clamp method
50038202	4	ChEMBL_466579 (CHEMBL923703)	Inhibition of recombinant rat Nav1.8 sodium channel assessed as blockade of TTXR current by patch clamp method
50038202	59	ChEMBL_466465 (CHEMBL931275)	Inhibition of human Nav1.8 channel expressed in HEK293 cells at -40 mV by patch clamp method
50038202	10	ChEMBL_466466 (CHEMBL931276)	Inhibition of human Nav1.2 channel expressed in HEK293 cells at -120 mV by patch clamp method
50038202	60	ChEMBL_466558 (CHEMBL935650)	Displacement of [3H]DADLE from opioid delta receptor
50038202	1	ChEMBL_466471 (CHEMBL931281)	Inhibition of human Nav1.5 channel expressed in HEK293 cells at -90 mV by patch clamp method
50038202	61	ChEMBL_466473 (CHEMBL931283)	Inhibition of human Nav1.7 channel expressed in HEK293 cells at -60 mV by patch clamp method
50038202	62	ChEMBL_466475 (CHEMBL931270)	Inhibition of P2X2 receptor
50038211	4	ChEMBL_466873 (CHEMBL922713)	Inhibition of mouse serum BChE
50012179	4	ChEBML_162256	In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate (FDP) as a substrate
50012179	5	ChEMBL_162256 (CHEMBL772435)	In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluorescein diphosphate (FDP) as a substrate
50012179	3	ChEBML_48702	In vitro inhibitory activity against recombinant human Cdc25B using fluorescein diphosphate (FDP) as a substrate
50012179	1	ChEBML_97149	In vitro inhibitory activity against recombinant human LAR using fluorescein diphosphate (FDP) as a substrate
50012179	2	ChEBML_39926	In vitro inhibitory activity against recombinant human CD45 using fluorescein diphosphate (FDP) as a substrate
50012181	1	ChEMBL_89349 (CHEMBL699680)	Inhibitory concentration required to produce 50% inhibition of the response was determined
50012181	5	ChEMBL_89353 (CHEMBL699683)	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.431.85 uM
50012181	7	ChEMBL_89352 (CHEMBL699682)	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.431.12 uM
50012181	4	ChEMBL_89354 (CHEMBL699684)	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.461.81 uM
50012181	2	ChEMBL_89356 (CHEMBL699686)	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.811.70 uM
50012181	6	ChEMBL_89351 (CHEMBL699681)	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.150.47 uM
50012181	3	ChEBML_89353	Inhibitory concentration required to produce 50% inhibition of the response was determined; range-0.431.85 uM
50012184	1	ChEBML_36178	Compound was tested in vitro for inhibitory activity against human Angiotensin II receptor in cultured preadipocytes
50038233	6	ChEMBL_467788 (CHEMBL931352)	Displacement of [3H]naltrindole from human cloned delta opioid receptor expressed in CHO cell membrane
50038233	7	ChEMBL_467785 (CHEMBL931349)	Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay
50038233	1	ChEMBL_467784 (CHEMBL931348)	Displacement of [125I]Tyr14-NC from human ORL1 receptor expressed in CHO cell membrane
50038238	9	ChEMBL_467897 (CHEMBL925931)	Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release
50038238	10	ChEMBL_467903 (CHEMBL925937)	Binding affinity to human MC3R
50038238	1	ChEMBL_467896 (CHEMBL925930)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells
50038238	5	ChEMBL_467907 (CHEMBL925941)	Agonist activity at human MC3R expressed in CHO cells assessed as cAMP release
50012188	3	ChEBML_2832	Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2C receptor in cloned rat cell culture
50012188	1	ChEMBL_2652 (CHEMBL618901)	Compound was evaluated for its ability to displace [125I](R)-DOI from 5-hydroxytryptamine 2A receptor in cloned rat prefrontal cortex homogenate
50012188	2	ChEBML_2651	Compound was evaluated for its ability to displace (+/-)[125I]-DOI from 5-hydroxytryptamine 2A receptor in cloned rat cell culture
50012189	2	ChEBML_35382	In vitro inhibition of Angiotensin I converting enzyme.
50012189	1	ChEBML_64199	In vitro inhibition of endothelin converting enzyme.
50038238	11	ChEMBL_467908 (CHEMBL925942)	Agonist activity at human MC5R expressed in CHO cells assesses as cAMP release
50038238	12	ChEMBL_467909 (CHEMBL925943)	Agonist activity at rat MC4R expressed in CHO cells assessed as cAMP release
50038238	4	ChEMBL_467905 (CHEMBL925939)	Binding affinity to rat MC4R
50038238	3	ChEMBL_467904 (CHEMBL925938)	Binding affinity to human MC5R
50012191	4	ChEBML_208242	Inhibition of tissue-type plasminogen activator
50012191	1	ChEBML_49126	Inhibition of Coagulation factor X
50012191	5	ChEBML_155433	Inhibition of plasmin
50012191	2	ChEBML_213307	Inhibition of urokinase-type plasminogen activator
50012191	3	ChEBML_208917	Inhibition of thrombin
50012192	4	ChEMBL_208243 (CHEMBL877957)	Activation of tissue plasminogen
50012192	6	ChEBML_208244	Activation of plasminogen
50012192	7	ChEBML_209047	Inhibition of thrombin
50012192	3	ChEBML_213308	Inhibition of urokinase-type plasminogen activator (microPa)
50012192	5	ChEBML_155435	Inhibition of plasmin
50012192	1	ChEBML_49127	Inhibition of coagulation factor X
50012192	2	ChEMBL_49128 (CHEMBL660268)	The compound was evaluated to inhibit the Coagulation factor X
50012193	17	ChEMBL_71676 (CHEMBL681668)	Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP
50012193	4	ChEBML_69835	Inhibitor of Farnesyl protein transferase (FTPase) required to reduce radiolabel [1-3H] incorporation by 50%
50012193	16	ChEMBL_71675 (CHEMBL681667)	Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP
50012193	5	ChEBML_69832	Inhibition of Farnesyl protein transferase radiolabel [1-3H] incorporation
50012193	20	ChEMBL_71671 (CHEMBL687558)	Inhibition of geranylgeranylation of the C-terminal CAAX sequence of Rap 1a in PSN-1 cells
50012193	22	ChEMBL_69836 (CHEMBL681887)	The concentration required to displace 50% of a highly potent radiolabeled FPTase inhibitor
50012193	19	ChEMBL_71674 (CHEMBL681666)	Inhibition of geranylgeranylation of C-terminal CAAX sequence of Rap 1a in PSN-1 cells
50012193	2	ChEBML_69837	Displacement of radiolabeled farnesyl transferase inhibitor
50012193	14	ChEMBL_71677 (CHEMBL681669)	Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP
50012193	6	ChEBML_69833	Displacement of radiolabeled farnesyl transferase inhibitor
50012193	18	ChEMBL_71673 (CHEMBL681665)	Inhibition of geranylgeranylation of C-terminal CAAX sequence of Rap 1a in PSN-1 cells
50012193	15	ChEMBL_71678 (CHEMBL681670)	Inhibition of [1-3H]-GGPP incorporation into biotinylated K4B-Ras peptide by geranylgeranyl transferase in the presence of 5 mM ATP
50012193	3	ChEBML_69834	Inhibition of Farnesyl protein transferase radiolabel [1-3H] incorporation
50038240	2	ChEMBL_467951 (CHEMBL947014)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as accumulation of cAMP production
50012197	1	ChEBML_213239	Concentration required for inhibition of trypsin
50012197	2	ChEBML_48306	Concentration required for inhibition of Coagulation factor II
50038240	1	ChEMBL_467950 (CHEMBL947013)	Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells
50038240	7	ChEMBL_467955 (CHEMBL946085)	Binding affinity to MC3R
50038240	8	ChEMBL_467953 (CHEMBL946083)	Antagonist activity at human MC4 receptor expressed in CHO cells assessed as inhibition of alpha-MSH-stimulated cAMP production
50012200	1	ChEBML_97294	In vitro inhibition of specific [125I]leuprorelin binding to the cloned human LHRH receptor expressed in chinese hamster ovary cells
50012201	1	ChEBML_141743	Inhibitory activity against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)
50038255	1	ChEMBL_468538 (CHEMBL931963)	Inhibition of BACE1
50038255	4	ChEMBL_468541 (CHEMBL931966)	Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production
50038255	6	ChEMBL_468542 (CHEMBL931967)	Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production
50012205	3	ChEBML_124498	In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 uM ATP
50012206	4	ChEMBL_92216 (CHEMBL703066)	Binding affinity towards Kai-2 using [3]H-kainate as the radioligand
50012206	2	ChEBML_92217	Binding affinity towards cloned human Kai-2 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
50012206	1	ChEBML_72854	Binding affinity for human GluR6 expressed in HEK293 cells using [3]H-kainate
50012206	5	ChEBML_72853	Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
50012206	3	ChEBML_72855	Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
50012207	2	ChEMBL_123920 (CHEMBL729454)	Compound was evaluated for inhibition of Mono aminoxidase B in rat primary hepatocytes
50038276	4	ChEMBL_468880 (CHEMBL949043)	Inhibition of Chk1
50038276	5	ChEMBL_468883 (CHEMBL949046)	Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot
50038281	9	ChEMBL_468969 (CHEMBL952114)	Inhibition of CDK1/Cyclin B
50038281	10	ChEMBL_468986 (CHEMBL952131)	Inhibition of EGFR
50012209	1	ChEBML_51124	Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells
50012210	1	ChEBML_89931	Inhibition of human Inosine-5'-monophosphate dehydrogenase 2
50038281	11	ChEMBL_468974 (CHEMBL952119)	Inhibition of CDK1
50012212	1	ChEBML_34331	Displacement of [125I]HEAT from COS cells membranes expressing human Alpha-1B adrenergic receptor
50012212	3	ChEBML_33608	Displacement of [125I]HEAT from COS cell membranes expressing human Alpha-1A adrenergic receptor
50012212	2	ChEBML_32433	Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in COS cells membranes
50012218	1	ChEMBL_71448 (CHEMBL684347)	Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated
50012218	2	ChEBML_71585	Ability to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated
50012218	3	ChEBML_71603	Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the rat Gonadotropin-releasing hormone receptor was evaluated
50012219	1	ChEMBL_71597 (CHEMBL689129)	Compound was evaluated in cloned rat Gonadotropin-releasing hormone receptor assay for its ability to displace the binding of [125 I-Tyr, DLeu, NMeLeu, Pro-NEt]GnRH agonist
50012220	1	ChEBML_68690	Compound was evaluated for its ability to inhibit Folyl-poly-gamma-glutamyl synthetase
50012220	2	ChEBML_70193	Compound was evaluated for its ability to inhibit Glutamate carboxypeptidase-II using N-acetyl-L-aspartyl-[3H]L-glutamate as substrate
50012221	2	ChEBML_72172	Inhibition against human granzyme B
50012221	3	ChEBML_46684	Compound was tested for its inhibition against Caspase-3
50012221	1	ChEBML_46870	Compound was tested for its inhibition against Caspase-8
50012222	2	ChEMBL_71659 (CHEMBL687549)	Inhibitory concentration was determined against murine gelatinase B
50012232	3	ChEMBL_31694 (CHEMBL876574)	Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the human Adenosine A3 receptor
50012232	1	ChEMBL_27452 (CHEMBL641818)	Displacement of [3H]DPCPX from CHO cell membrane expressing human Adenosine A1 receptor
50012232	2	ChEMBL_31346 (CHEMBL645717)	Displacement of [3H]ZM-241,385 from CHO cell membrane expressing human Adenosine A2A receptor
50012235	2	ChEMBL_206957 (CHEMBL816640)	Inhibition of Syk tyrosine kinase
50012235	5	ChEMBL_221318 (CHEMBL841208)	Inhibitory activity against recombinant human p56 Lck tyrosine kinase
50012235	3	ChEMBL_217774 (CHEMBL824036)	Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP70) with 1 uM ATP
50012235	4	ChEMBL_216847 (CHEMBL818270)	Inhibition of c-SRC with 1 uM ATP
50012235	1	ChEMBL_67213 (CHEMBL677529)	Inhibition of Epidermal growth factor receptor
50038281	12	ChEMBL_468966 (CHEMBL952111)	Inhibition of EphB4 by FRET assay
50038281	13	ChEMBL_468964 (CHEMBL952109)	Inhibition of CDK2
50038284	4	ChEMBL_469036 (CHEMBL930945)	Displacement of [3H]PDBu from PKCalpha C1B domain
50038284	11	ChEMBL_469037 (CHEMBL930946)	Displacement of [3H]PDBu from PKCgamma C1A domain
50038284	12	ChEMBL_469041 (CHEMBL929993)	Displacement of [3H]PDBu from PKCeta C1B domain
50038284	13	ChEMBL_469033 (CHEMBL930942)	Displacement of [3H]PDBu from PKCalpha C1A domain
50038284	14	ChEMBL_469034 (CHEMBL930943)	Displacement of [3H]PDBu from PKCbeta C1B domain
50038284	3	ChEMBL_469035 (CHEMBL930944)	Displacement of [3H]PDBu from PKCbeta C1A domain
50038284	5	ChEMBL_469038 (CHEMBL930947)	Displacement of [3H]PDBu from PKCgamma C1B domain
50038286	2	ChEMBL_469154 (CHEMBL929073)	Inhibition of BACE1
50038286	6	ChEMBL_469156 (CHEMBL929075)	Inhibition of BACE1 in human HEK293 cells assessed as inhibition of amyloid beta 40 production
50038295	3	ChEMBL_469370 (CHEMBL932847)	Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay
50038295	4	ChEMBL_469369 (CHEMBL932846)	Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay
50038346	2	ChEMBL_470513 (CHEMBL950057)	Inhibition of human Chk1 in H1299 cells assessed as blockade of Cdc25A degradation
50038346	3	ChEMBL_470510 (CHEMBL950060)	Inhibition of recombinant Chk1
50038354	28	ChEMBL_471143 (CHEMBL938206)	Inhibition of PKCalpha
50038354	29	ChEMBL_471114 (CHEMBL921267)	Inhibition of human recombinant full length IGF1R expressed in mouse 3T3 cells
50038360	4	ChEMBL_471596 (CHEMBL940227)	Displacement of [3H]deltorphine 2 from human delta opioid receptor expressed in CHOK1 cells
50038404	11	ChEMBL_474792 (CHEMBL951285)	Inhibition of Aurora B
50038405	11	ChEMBL_474930 (CHEMBL933003)	Inhibition of Aurora B
50038405	10	ChEMBL_474927 (CHEMBL933000)	Inhibition of PDGFRbeta
50038408	12	ChEMBL_475134 (CHEMBL932656)	Inhibition of CYP2A6
50038408	7	ChEMBL_475116 (CHEMBL932638)	Inhibition of GSK3-beta in human PC3M cells by ELISA
50038414	2	ChEMBL_475594 (CHEMBL922239)	Inhibition of human Chk1
50012247	5	ChEMBL_143678 (CHEMBL755166)	Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5)
50012247	3	ChEMBL_143679 (CHEMBL756246)	Compound was evaluated for functional antagonism of Neuropeptide Y receptor Y5 activity in cellular Ca flux
50012247	1	ChEMBL_143681 (CHEMBL756248)	The compound was evaluated in vitro for: human Neuropeptide Y receptor Y5 functional antagonism
50012247	4	ChEMBL_143682 (CHEMBL756249)	Binding affinity against rat Neuropeptide Y receptor Y5
50012247	2	ChEMBL_143680 (CHEMBL756247)	In vitro human Neuropeptide Y receptor Y5 functional antagonism (reporter gene assay)
50038420	25	ChEMBL_475752 (CHEMBL922541)	Inhibition of PKCalpha
50038420	26	ChEMBL_475725 (CHEMBL934611)	Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation
50038420	27	ChEMBL_475754 (CHEMBL922543)	Inhibition of PKCeta
50038466	6	ChEMBL_477926 (CHEMBL923551)	Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells
50038466	4	ChEMBL_477932 (CHEMBL935623)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50038466	1	ChEMBL_477925 (CHEMBL923550)	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells
50038466	7	ChEMBL_477927 (CHEMBL923552)	Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells
50038466	8	ChEMBL_477930 (CHEMBL923555)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50012251	1	ChEMBL_66275 (CHEMBL678145)	Inhibitory activity against FK506 binding protein 12
50023836	1	ChEMBL_509147 (CHEMBL1008991)	Inhibition of topoisomerase 1 extracted from mouse EAC cells assessed as inhibition of Escherichia coli pBR322 relaxation
50023839	1	ChEMBL_509155 (CHEMBL1008999)	inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assay
50012252	1	ChEBML_209037	Displacement of [125I]NKA from human Tachykinin receptor 2 expressed in CHO cells
50012253	3	ChEMBL_141322 (CHEMBL752901)	In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells
50012253	2	ChEBML_141321	In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells
50012253	4	ChEMBL_141321 (CHEMBL752900)	In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells
50012257	2	ChEBML_145839	Displacement of bound [3H]diprenorphine in cloned rat Opioid receptor kappa 1 expressed in Sf9 insect cells
50012258	2	ChEBML_89186	Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells
50012258	1	ChEBML_89359	The concentration required for inhibition of Inducible nitric oxide synthase in mouse
50012258	4	ChEBML_64984	Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells
50012258	3	ChEMBL_89186 (CHEMBL700504)	Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells
50038468	11	ChEMBL_477968 (CHEMBL934731)	Inhibition of CHK1 by radioactive flashplate assay
50038468	12	ChEMBL_477987 (CHEMBL922655)	Inhibition of Aurora B Ser10 phosphorylation in human HeLa cells after 1 hr
50038468	13	ChEMBL_477970 (CHEMBL934733)	Inhibition of CDK1 by radioactive flashplate assay
50038486	5	ChEMBL_479226 (CHEMBL927002)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells
50038486	6	ChEMBL_479227 (CHEMBL927001)	Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay
50038486	1	ChEMBL_479224 (CHEMBL927004)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells
50038486	7	ChEMBL_479225 (CHEMBL927003)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells
50038506	13	ChEMBL_479565 (CHEMBL929429)	Inhibition of PKCalpha
50038524	7	ChEMBL_479902 (CHEMBL935755)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A1 receptor expressed in HEK293 cells
50038524	11	ChEMBL_479906 (CHEMBL935759)	Displacement of radioligand from human adenosine A2A receptor expressed in HEK293 cells
50038524	12	ChEMBL_479905 (CHEMBL935758)	Displacement of radioligand from human adenosine A1 receptor expressed in CHO cells
50038524	13	ChEMBL_479910 (CHEMBL923560)	Displacement of radioligand from rat A3 adenosine receptor
50012267	1	ChEBML_63803	Inhibitory concentration in vitro against Human neutrophil elastase
50012268	3	ChEBML_205873	Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as radioligand
50012268	1	ChEBML_209564	Binding affinity against recombinant human tachykinin receptor 3 in CHO cells using [125I][MePhe]-NKB as radioligand
50012268	2	ChEBML_209036	Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as radioligand
50012270	1	ChEBML_155614	Inhibitory concentration required against Plasminogen activator inhibitor 1.
50012272	24	ChEMBL_58958 (CHEMBL669516)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D4.4 (high/low affinity is given as 87/23000)
50012272	7	ChEMBL_59475 (CHEMBL671728)	Binding affinity of compound against Dopamine receptor D2 was measured using [3H]pramipexole in Bovine striatal membranes
50038524	14	ChEMBL_479907 (CHEMBL923557)	Displacement of radioligand from human adenosine A3 receptor expressed in CHO cells
50012272	9	ChEMBL_61810 (CHEMBL672574)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 35/3700)
50038524	10	ChEMBL_479916 (CHEMBL923566)	Agonist activity at human adenosine A3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50012272	22	ChEMBL_62133 (CHEMBL674523)	Binding affinity of compound measured using [3H]spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 0.54/59)
50038524	9	ChEMBL_479903 (CHEMBL935756)	Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in HEK293 cells
50012272	11	ChEMBL_58638 (CHEMBL665387)	Effective concentration required for agonistic activity against rat D2 short receptor
50012272	4	ChEMBL_61179 (CHEMBL670993)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D4.4 (high/low affinity is given as 50/2200)
50012272	21	ChEMBL_58319 (CHEMBL671177)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 long (high/low affinity is given as 9.0/1800)
50012272	13	ChEBML_60331	Binding affinity of compound measured against Dopamine receptor D1 from bovine striatal membranes using radioligand [3H]-SCH- 23390
50012272	15	ChEMBL_58633 (CHEMBL665383)	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 27/1800)
50012272	10	ChEBML_61810	Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 35/3700)
50012272	20	ChEBML_59475	Binding affinity of compound against Dopamine receptor D2 was measured using [3H]pramipexole in Bovine striatal membranes
50012272	6	ChEBML_1070	Binding affinity of compound measured for 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT-labeled porcine brain homogenates
50012272	2	ChEMBL_61941 (CHEMBL675129)	Effective concentration required for agonistic activity against rat D2 short receptor
50012272	3	ChEMBL_61007 (CHEMBL675198)	Effective concentration required for agonistic activity against human D4.2 receptor
50038533	3	ChEMBL_480070 (CHEMBL929346)	Inhibition of human BACE1 by SEAP reporter gene assay
50038533	4	ChEMBL_480068 (CHEMBL929344)	Inhibition of human BACE1
50038546	2	ChEMBL_551177 (CHEMBL997396)	Inhibition of human recombinant PKCalpha
50012277	1	ChEBML_46979	Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN-55212-2 Mesylate [573H] as Radioactive tracer
50038562	32	ChEMBL_531078 (CHEMBL976886)	Inhibition of Bmx by cellular assay
50038562	130	ChEMBL_531105 (CHEMBL977766)	Inhibition of human Her2 in SW620 cells
50038562	131	ChEMBL_531142 (CHEMBL974028)	Inhibition of EphA6
50012277	3	ChEBML_46449	Binding affinity against human Cannabinoid receptor 1 expressed in CHO cells by using CP-55940 as Radioactive tracer
50038562	81	ChEMBL_531101 (CHEMBL976909)	Inhibition of human Her2
50038562	70	ChEMBL_531097 (CHEMBL976905)	Inhibition of Ron by cellular assay
50038562	132	ChEMBL_531405 (CHEMBL966760)	Inhibition of Cdk1/cyclin B
50038562	82	ChEMBL_531102 (CHEMBL976910)	Inhibition of human Her2 in SKBR3 cells
50038562	84	ChEMBL_531104 (CHEMBL977765)	Inhibition of human Her2 in A431 cells
50038562	133	ChEMBL_531132 (CHEMBL974018)	Inhibition of Aurora B
50038562	37	ChEMBL_531118 (CHEMBL973093)	Inhibition of KDR by cellular assay
50038562	69	ChEMBL_531095 (CHEMBL976903)	Inhibition of c-Met by cellular assay
50038562	134	ChEMBL_531110 (CHEMBL977771)	Inhibition of FGFR1
50038562	40	ChEMBL_531125 (CHEMBL974011)	Inhibition of Syk by cellular assay
50038562	60	ChEMBL_531139 (CHEMBL974025)	Inhibition of VEGFR2 by cellular assay
50038562	135	ChEMBL_531128 (CHEMBL974014)	Inhibition of Bmx
50038562	136	ChEMBL_531337 (CHEMBL990526)	Inhibition of InsR
50038562	106	ChEMBL_531373 (CHEMBL990562)	Inhibition of Tie2
50038562	137	ChEMBL_531134 (CHEMBL974020)	Inhibition of FLT3
50038562	72	ChEMBL_531320 (CHEMBL989732)	Inhibition of Flk1
50038562	138	ChEMBL_531355 (CHEMBL990544)	Inhibition of STK17a
50038562	139	ChEMBL_531137 (CHEMBL974023)	Inhibition of B-raf by cellular assay
50038562	140	ChEMBL_531325 (CHEMBL989737)	Inhibition of CAMK2a
50038569	5	ChEMBL_532755 (CHEMBL972329)	Agonist activity at human melanocortin 3 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038569	9	ChEMBL_532758 (CHEMBL972332)	Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 4 receptor expressed in HEK293 cells
50038569	10	ChEMBL_532753 (CHEMBL972327)	Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 3 receptor expressed in HEK293 cells
50038569	11	ChEMBL_532763 (CHEMBL975196)	Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 5 receptor expressed in HEK293 cells
50038569	4	ChEMBL_532748 (CHEMBL972322)	Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 1 receptor expressed in HEK293 cells
50038569	12	ChEMBL_532750 (CHEMBL972324)	Agonist activity at human melanocortin 1 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038570	8	ChEMBL_533285 (CHEMBL973304)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50038570	6	ChEMBL_533290 (CHEMBL973309)	Activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038570	9	ChEMBL_533289 (CHEMBL973308)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50038570	3	ChEMBL_533286 (CHEMBL973305)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells
50012282	1	ChEMBL_79956 (CHEMBL687727)	Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 protease enzyme
50012282	2	ChEBML_79956	Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 protease enzyme
50012283	5	ChEMBL_221021 (CHEMBL822638)	Inhibitory concentration required to inhibit cleavage of a substrate by thewild-type HIV-1 protease enzyme
50012283	4	ChEBML_221021	Inhibitory concentration required to inhibit cleavage of a substrate by thewild-type HIV-1 protease enzyme
50012283	2	ChEMBL_151523 (CHEMBL760334)	Inhibition of cytochrome P450 3A4
50012283	1	ChEMBL_151522 (CHEMBL760333)	Inhibition of cytochrome P450 2D6
50012283	6	ChEBML_151521	Inhibition of cytochrome P450 2D6
50012283	3	ChEBML_151523	Inhibition of cytochrome P450 3A4
50012288	3	ChEBML_33733	Displacement of [125I]HEAT from human Alpha-1A adrenergic receptor
50012288	2	ChEBML_32447	Displacement of [125I]HEAT from human Alpha-1D adrenergic receptor
50012288	1	ChEBML_34347	Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor
50012289	3	ChEBML_70528	Binding affinity for retinoic acid receptor RAR gamma
50012290	1	ChEBML_3696	Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]LSD
50012290	3	ChEBML_3666	Compound was tested for its binding affinity towards 5-hydroxytryptamine 6 receptor
50038570	1	ChEMBL_533284 (CHEMBL973302)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50038575	35	ChEMBL_556496 (CHEMBL956491)	Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells
50038575	23	ChEMBL_556494 (CHEMBL956489)	Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells
50038575	24	ChEMBL_556495 (CHEMBL956490)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells
50038575	22	ChEMBL_556493 (CHEMBL956488)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells
50038575	21	ChEMBL_556762 (CHEMBL961460)	Binding affinity to human 5HT2A receptor expressed in human HEK293 cells
50038575	36	ChEMBL_556745 (CHEMBL959808)	Binding affinity to delta opioid receptor
50038575	20	ChEMBL_556761 (CHEMBL961459)	Binding affinity to human 5HT2A receptor expressed in human A549 cells
50038576	4	ChEMBL_556764 (CHEMBL961462)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate
50038576	5	ChEMBL_556766 (CHEMBL961464)	Binding affinity at delta opioid receptor
50038578	19	ChEMBL_555809 (CHEMBL965669)	Inhibition of human AChE
50038578	11	ChEMBL_552465 (CHEMBL999116)	Binding affinity to mouse AChE by equilibrium binding assay
50038578	18	ChEMBL_555811 (CHEMBL965671)	Inhibition of Torpedo californica AChE assessed as carbamylation
50038578	17	ChEMBL_555813 (CHEMBL965673)	Inhibition of human AChE assessed as carbamylation
50038578	10	ChEMBL_552464 (CHEMBL1002724)	Binding affinity to mouse AChE
50038578	21	ChEMBL_552468 (CHEMBL999085)	Inhibition of bovine AChE
50038578	22	ChEMBL_555815 (CHEMBL965675)	Inhibition of rat AChE
50038578	6	ChEMBL_552457 (CHEMBL1002717)	Inhibition of human recombinant AChE
50038605	2	ChEMBL_526494 (CHEMBL975645)	Displacement of [125I]deltorphin 2 from human recombinant delta opioid receptor expressed in HEK293 cells
50038621	2	ChEMBL_492083 (CHEMBL946249)	Inhibition of human BACE1
50038644	2	ChEMBL_513983 (CHEMBL975428)	Inhibition of Cdk1/cyclin B
50038647	5	ChEMBL_514435 (CHEMBL974622)	Agonist activity at human beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50038658	3	ChEMBL_510814 (CHEMBL998833)	Inhibition of human recombinant PDE5A1 expressed in COS7 cells
50038702	2	ChEMBL_561974 (CHEMBL1010037)	Displacement of europium-labeled galanin from human GalR1 expressed in HEK293 EBNA cells
50038702	6	ChEMBL_561969 (CHEMBL1010032)	Binding affinity to human GalR1
50038712	10	ChEMBL_558749 (CHEMBL1019878)	Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells
50038712	2	ChEMBL_558757 (CHEMBL1019886)	Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038712	11	ChEMBL_558747 (CHEMBL1019876)	Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells
50038712	1	ChEMBL_558760 (CHEMBL1019889)	Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038712	7	ChEMBL_558759 (CHEMBL1019888)	Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding
50038712	12	ChEMBL_558748 (CHEMBL1019877)	Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells
50038712	6	ChEMBL_558762 (CHEMBL1019891)	Activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding
50038712	13	ChEMBL_558754 (CHEMBL1019883)	Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain
50038712	14	ChEMBL_558752 (CHEMBL1019881)	Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain
50012299	1	ChEBML_140808	Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosis
50012303	5	ChEMBL_30754 (CHEMBL649785)	Displacement of [3H]-ZM 241385 from Human Adenosine A2a receptor expressed in HEK293 cells
50012303	4	ChEMBL_30601 (CHEMBL641835)	Displacement of [3H]DPCPX from Human Adenosine A2B receptor expressed in HEK293 cells
50012303	8	ChEMBL_30923 (CHEMBL647733)	Binding affinity against rat adenosine A2A receptor in RBL-2H3 cells
50012303	1	ChEMBL_27899 (CHEMBL640559)	Displacement of [3H]DPCPX from Human Adenosine A1 receptor expressed in CHO cells
50012303	2	ChEMBL_32020 (CHEMBL649056)	Displacement of [3H]-MRE 3008-F20 from Human Adenosine A3 receptor expressed in HEK293 cells
50012303	3	ChEMBL_29161 (CHEMBL637710)	Binding affinity against rat adenosine A1 receptor in RBL-2H3 cells
50012303	7	ChEMBL_31553 (CHEMBL644504)	Inhibitory activity against Human Adenosine A3 receptor expressed in CHO cells
50012303	6	ChEMBL_30472 (CHEMBL643133)	Binding affinity against rat adenosine A3 receptor in RBL-2H3 cells
50038724	2	ChEMBL_534603 (CHEMBL989028)	Agonist activity at human delta opioid receptor in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038724	7	ChEMBL_534601 (CHEMBL989026)	Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells
50012305	8	ChEMBL_1316 (CHEMBL616693)	Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]8-OH-DPAT radioligand in rat cortex membrane
50038724	8	ChEMBL_534605 (CHEMBL989030)	Inhibition of human ERG channel in HEK293 cells by voltage-clamp method
50038724	3	ChEMBL_534604 (CHEMBL989029)	Displacement of [3H]diprenorphine from human kappa opioid receptor in CHO cells at 10 uM
50038726	2	ChEMBL_538724 (CHEMBL1035035)	Activation of insulin receptor tyrosine kinase in mouse 3T3-L1 cells assessed as increase in 2-deoxy-D-[14C]glucose transport in presence of insulin
50012308	1	ChEMBL_31124 (CHEMBL643552)	Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)
50012309	1	ChEMBL_46465 (CHEMBL657912)	Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor]
50012310	1	ChEMBL_58329 (CHEMBL671945)	In vitro inhibition of [125I]SCH-23982 binding to Dopamine receptor D1 of rat striatal membrane
50012310	2	ChEMBL_61574 (CHEMBL884452)	In vitro inhibition of [125I]7-OH-PIPAT binding to Dopamine receptor D2 of rat striatal membrane
50012312	1	ChEMBL_209809 (CHEMBL815674)	Growth inhibitory activity against mouse lymphoblastoid L1210TS cell line was determined as inhibition of thymidylate synthase
50012313	25	ChEMBL_31413 (CHEMBL644556)	Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells
50012313	23	ChEMBL_30755 (CHEMBL649786)	Inhibition of [3H]CGS-21680 binding to human Adenosine A2a receptor expressed in HEK293 cells at 10000 nM
50012313	13	ChEMBL_31208 (CHEMBL640305)	Displacement of [3H]CGS-21680 binding to human Adenosine A2A receptor expressed in HEK293 cells
50012313	11	ChEMBL_30138 (CHEMBL641341)	Inhibition of [3H]CGS-21680 binding to rat Adenosine A2A receptor expressed in HEK293 cells
50012313	7	ChEMBL_27906 (CHEMBL642154)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM
50012313	18	ChEMBL_31805 (CHEMBL643211)	Inhibition of [3H]CGS-21680 binding to human Adenosine A2A receptor expressed in HEK293 cells; Range 120-155
50012313	1	ChEMBL_29633 (CHEMBL639740)	Inhibition of [3H]DPCPX binding to rat Adenosine A1 receptor expressed in CHO cells
50012313	9	ChEMBL_27905 (CHEMBL642153)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM
50012313	14	ChEMBL_29893 (CHEMBL641964)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.17-0.20
50012313	20	ChEMBL_29895 (CHEMBL641966)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.58-1.40
50012313	3	ChEMBL_30727 (CHEMBL648806)	Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 772-1390
50012313	6	ChEMBL_27907 (CHEMBL642155)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 1030-1400
50012313	16	ChEMBL_29897 (CHEMBL641968)	Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.72-1.24
50012313	28	ChEMBL_30607 (CHEMBL642014)	Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 1640-2580
50012313	19	ChEMBL_29896 (CHEMBL641967)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.63-1.00
50012313	27	ChEMBL_30757 (CHEMBL649788)	Inhibition of [3H]CGS-21680 binding to human Adenosine A2a receptor expressed in HEK293 cells; Range 811-982
50012313	12	ChEMBL_30605 (CHEMBL642012)	Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nM
50012313	26	ChEMBL_30756 (CHEMBL649787)	Inhibition of [3H]CGS-21680 binding to human Adenosine A2a receptor expressed in HEK293 cells; Range 438-749
50012313	4	ChEMBL_27909 (CHEMBL642157)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 335-509
50012313	24	ChEMBL_31414 (CHEMBL883238)	Displacement of [3H]CGS-21680 from human Adenosine A3 receptor expressed in HEK293 cells at 10000 nM
50012313	17	ChEMBL_31804 (CHEMBL643210)	Inhibition of [3H]CGS-21680 binding to human Adenosine A2A receptor expressed in HEK293 cells
50012313	30	ChEMBL_30728 (CHEMBL648025)	Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; range 640-1100
50012313	29	ChEMBL_32007 (CHEMBL646604)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells
50012313	15	ChEMBL_29892 (CHEMBL641963)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells
50012313	21	ChEMBL_29894 (CHEMBL641965)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.35-0.74
50012313	10	ChEMBL_27904 (CHEMBL640564)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells
50012313	2	ChEMBL_29898 (CHEMBL641969)	Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.82-1.91
50012313	22	ChEMBL_27910 (CHEMBL642158)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells;Range 983-1730
50012313	5	ChEMBL_27908 (CHEMBL642156)	Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 256-620
50012313	8	ChEMBL_30606 (CHEMBL642013)	Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 3580-12400
50012314	3	ChEMBL_68777 (CHEMBL686015)	Inhibition of Fatty-acid amide hydrolase (FAAH) activity in human lymphoma U937 cell using [3H]AEA as substrate in the 0-25 uM conc
50012314	2	ChEMBL_46810 (CHEMBL659696)	Displacement of [3H]CP-55940 from rat forebrain membrane which expresses Cannabinoid receptor 1 in the presence of PMSF
50012314	1	ChEMBL_47008 (CHEMBL658834)	Displacement of [3H]CP-55940 from rat forebrain membrane which expresses Cannabinoid receptor 2 in the presence of PMSF
50012317	1	ChEMBL_145394 (CHEMBL873802)	Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)
50038733	2	ChEMBL_539509 (CHEMBL1032318)	Inhibition of CDK1/cyclin B
50012317	12	ChEMBL_148243 (CHEMBL753402)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.3-3.7)
50012317	6	ChEMBL_223418 (CHEMBL871836)	Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deferens (MVD, delta receptor)
50012317	2	ChEMBL_223417 (CHEMBL844029)	Ability to inhibit electrically evoked contractions of isolated muscle preparations of mouse vas deference (MVD, delta receptor)
50012317	4	ChEMBL_145394 (CHEMBL873802)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)
50012317	11	ChEMBL_148246 (CHEMBL753405)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (580-680)
50012317	13	ChEMBL_148244 (CHEMBL753403)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.8-2.2)
50012317	3	ChEMBL_145393 (CHEMBL752736)	Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane; range is in between (4700-8500)
50038748	6	ChEMBL_495338 (CHEMBL1006330)	Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cells
50038748	7	ChEMBL_495339 (CHEMBL1006331)	Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cells
50038748	5	ChEMBL_495349 (CHEMBL995937)	Binding affinity to wild type mu opioid receptor expressed in CHO cells
50038748	8	ChEMBL_495340 (CHEMBL1006332)	Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells
50038748	1	ChEMBL_495343 (CHEMBL1007140)	Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038762	5	ChEMBL_515869 (CHEMBL993923)	Agonist activity at human delta opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding
50038762	2	ChEMBL_516123 (CHEMBL983267)	Agonist activity at human NOP receptor expressed in HEK293 cells by [35S]GTPgammaS binding
50038762	9	ChEMBL_515862 (CHEMBL993121)	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells
50038762	10	ChEMBL_515865 (CHEMBL993919)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHOK1 cells
50038762	3	ChEMBL_515867 (CHEMBL993921)	Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding
50038762	11	ChEMBL_515863 (CHEMBL993917)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells
50038762	12	ChEMBL_515864 (CHEMBL993918)	Displacement of [3H]enadoline from human kappa opioid receptor expressed in HEK293 cells
50038762	4	ChEMBL_515868 (CHEMBL993922)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding
50038784	4	ChEMBL_543323 (CHEMBL1022993)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells
50038784	9	ChEMBL_543331 (CHEMBL1023001)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038784	10	ChEMBL_543332 (CHEMBL1023002)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038784	5	ChEMBL_543324 (CHEMBL1022994)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells
50038784	11	ChEMBL_543321 (CHEMBL1022991)	Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane
50038784	3	ChEMBL_543322 (CHEMBL1022992)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50038784	12	ChEMBL_543319 (CHEMBL1022989)	Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane
50038787	29	ChEMBL_541854 (CHEMBL1015222)	Inhibition of PKCalpha
50038787	7	ChEMBL_542080 (CHEMBL1016949)	Inhibition of Cdk2
50038787	30	ChEMBL_542070 (CHEMBL1016939)	Inhibition of MAPKAPK2
50038787	31	ChEMBL_541861 (CHEMBL1015229)	Inhibition of CHK1
50038798	3	ChEMBL_563472 (CHEMBL961020)	Inhibition of pig kidney microsome aminopeptidase N by UV-visible spectrophotometer
50038800	3	ChEMBL_563681 (CHEMBL964242)	Inhibition of pig kidney microsomal aminopeptidase N after 30 mins by UV-VIS spectrophotometry
50038807	1	ChEMBL_563750 (CHEMBL993513)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells
50038807	5	ChEMBL_563751 (CHEMBL993514)	Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells
50038807	6	ChEMBL_563752 (CHEMBL993515)	Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells
50038825	5	ChEMBL_565185 (CHEMBL958391)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038825	7	ChEMBL_564843 (CHEMBL955070)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50038825	6	ChEMBL_564844 (CHEMBL955071)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50038825	3	ChEMBL_565191 (CHEMBL958397)	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50038825	1	ChEMBL_565189 (CHEMBL958395)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038825	10	ChEMBL_565193 (CHEMBL958399)	Antagonist activity against human delta opioid receptor expressed in CHO cells assessed as inhibition of SNC80-stimulated [35S]GTPgammaS binding
50038825	2	ChEMBL_565187 (CHEMBL958393)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038825	11	ChEMBL_564842 (CHEMBL955069)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50038825	12	ChEMBL_565194 (CHEMBL958400)	Antagonist activity against human kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-stimulated [35S]GTPgammaS binding
50012321	2	ChEMBL_49848 (CHEMBL660813)	Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells
50012321	1	ChEMBL_49845 (CHEMBL660276)	Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells
50012321	3	ChEMBL_49847 (CHEMBL660812)	Evaluated for its inhibitory activity against human Chemokine receptor type 3 expressed in chinese hamster ovary cells
50012322	1	ChEMBL_214699 (CHEMBL817834)	Binding affinity against human Vasopressin V2 receptor expressed in HeLa cells was determined
50012322	2	ChEMBL_214876 (CHEMBL872576)	Binding affinity against Vasopressin V2 receptor was determined in Brattleboro rats
50038844	9	ChEMBL_523526 (CHEMBL1000648)	Antagonist activity at human cloned kappa opioid receptor assessed as inhibition of 50 nM U50488H-stimulated GTPgammaS binding by cell based assay
50038844	10	ChEMBL_523527 (CHEMBL1000649)	Antagonist activity at human cloned mu opioid receptor assessed as inhibition of 100 nM loperamide-stimulated GTPgammaS binding by cell based assay
50012327	1	ChEBML_205874	Binding affinity to human Tachykinin receptor 1
50012327	2	ChEMBL_205874 (CHEMBL810141)	Binding affinity to human Tachykinin receptor 1
50012332	1	ChEBML_213820	Inhibition of TNF-alpha inducible Vascular cell adhesion molecule-1 expression.
50012334	4	ChEBML_72738	Concentration required for the inhibition of enzyme Glutathionylspermidine Synthetase wild-type enzyme
50038845	9	ChEMBL_523577 (CHEMBL997227)	Agonist activity at human MC3R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50038845	2	ChEMBL_523575 (CHEMBL997225)	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC5R expressed in HEK293 cells
50038845	10	ChEMBL_523572 (CHEMBL997222)	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293 cells
50012335	1	ChEMBL_89498 (CHEMBL696863)	In vitro inhibition of inducible nitric oxide synthase.
50038845	11	ChEMBL_523579 (CHEMBL997229)	Agonist activity at human MC5R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50038845	1	ChEMBL_523574 (CHEMBL997224)	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293 cells
50038845	3	ChEMBL_523576 (CHEMBL997226)	Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50038845	12	ChEMBL_523578 (CHEMBL997228)	Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50038845	5	ChEMBL_523573 (CHEMBL997223)	Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC3R expressed in HEK293 cells
50038850	17	ChEMBL_545070 (CHEMBL1017186)	Inhibition of human CDK1
50038855	50	ChEMBL_498317 (CHEMBL973455)	Inhibition of PIM1
50038855	51	ChEMBL_498319 (CHEMBL973457)	Inhibition of PKCalpha
50038855	47	ChEMBL_498316 (CHEMBL973454)	Inhibition of PHKgamma2
50038855	52	ChEMBL_498297 (CHEMBL972539)	Inhibition of FGFR2
50038855	53	ChEMBL_498310 (CHEMBL973448)	Inhibition of LYN
50038855	54	ChEMBL_498311 (CHEMBL973449)	Inhibition of MINK
50038855	55	ChEMBL_498279 (CHEMBL972521)	Inhibition of ABL1
50038855	56	ChEMBL_498312 (CHEMBL973450)	Inhibition of MST2
50038855	57	ChEMBL_498293 (CHEMBL972535)	Inhibition of EPHB4
50038855	58	ChEMBL_498294 (CHEMBL972536)	Inhibition of ERK1
50038855	48	ChEMBL_498315 (CHEMBL973453)	Inhibition of PDGFRalpha
50038855	59	ChEMBL_498299 (CHEMBL972541)	Inhibition of FLT1
50038855	60	ChEMBL_498292 (CHEMBL972534)	Inhibition of EPHA3
50038855	61	ChEMBL_498295 (CHEMBL972537)	Inhibition of ERK2
50038855	62	ChEMBL_498296 (CHEMBL972538)	Inhibition of FGFR1
50038855	63	ChEMBL_498298 (CHEMBL972540)	Inhibition of FGFR3
50038855	64	ChEMBL_498286 (CHEMBL972528)	Inhibition of CHK1
50038855	65	ChEMBL_498290 (CHEMBL972532)	Inhibition of DAPK1
50038855	66	ChEMBL_498281 (CHEMBL972523)	Inhibition of Aurora-A
50038855	46	ChEMBL_498283 (CHEMBL972525)	Inhibition of CAMK2B
50038855	67	ChEMBL_498577 (CHEMBL1021076)	Inhibition of PAK2
50038855	68	ChEMBL_498326 (CHEMBL973464)	Inhibition of TAB1
50012340	2	ChEBML_158321	Binding affinity at human Prostanoid EP3 receptor.
50012340	4	ChEBML_158446	Binding affinity at human Prostanoid EP4 receptor.
50012340	1	ChEBML_158178	Binding affinity at human Prostanoid EP1 receptor.
50012340	7	ChEBML_158471	Inhibitory constant against Prostanoid IP receptor
50012340	8	ChEBML_158171	Inhibitory constant against Prostanoid DP receptor
50038855	69	ChEMBL_498309 (CHEMBL973447)	Inhibition of LCK
50012340	3	ChEBML_158458	Inhibitory constant against Prostanoid FP receptor
50038855	70	ChEMBL_498307 (CHEMBL973445)	Inhibition of JAK3
50012340	6	ChEBML_158472	Inhibitory constant against Prostanoid TP receptor
50038855	71	ChEMBL_498308 (CHEMBL973446)	Inhibition of KDR
50038855	72	ChEMBL_498305 (CHEMBL973443)	Inhibition of IRAK4
50038855	73	ChEMBL_498306 (CHEMBL973444)	Inhibition of JAK2
50038855	74	ChEMBL_498289 (CHEMBL972531)	Inhibition of cSRC
50038855	75	ChEMBL_498302 (CHEMBL972544)	Inhibition of GSK3B
50038855	76	ChEMBL_498301 (CHEMBL972543)	Inhibition of FLT4
50038855	77	ChEMBL_498303 (CHEMBL972545)	Inhibition of HIPK1
50038855	78	ChEMBL_498287 (CHEMBL972529)	Inhibition of CHK2
50038855	79	ChEMBL_498300 (CHEMBL972542)	Inhibition of FLT3
50038855	80	ChEMBL_498304 (CHEMBL972546)	Inhibition of IR
50038855	81	ChEMBL_498288 (CHEMBL972530)	Inhibition of c-Met
50038855	82	ChEMBL_498285 (CHEMBL972527)	Inhibition of CDK2/cyclinA
50038855	83	ChEMBL_498328 (CHEMBL973466)	Inhibition of Trk-A
50038855	84	ChEMBL_498327 (CHEMBL973465)	Inhibition of TIE2/TEK
50038855	85	ChEMBL_498325 (CHEMBL973463)	Inhibition of TAK1
50038855	86	ChEMBL_498329 (CHEMBL973467)	Inhibition of ERBB4
50038855	87	ChEMBL_498320 (CHEMBL973458)	Inhibition of PLK2
50038855	88	ChEMBL_498323 (CHEMBL973461)	Inhibition of RSK1
50038855	49	ChEMBL_498324 (CHEMBL973462)	Inhibition of SYK
50038855	89	ChEMBL_498321 (CHEMBL973459)	Inhibition of RET
50038855	90	ChEMBL_498322 (CHEMBL973460)	Inhibition of ROCK1
50038855	91	ChEMBL_498291 (CHEMBL972533)	Inhibition of EGFR
50038855	92	ChEMBL_498280 (CHEMBL972522)	Inhibition of AKT1
50038855	93	ChEMBL_498284 (CHEMBL972526)	Inhibition of CDK1/cyclinB
50038855	94	ChEMBL_498282 (CHEMBL972524)	Inhibition of BTK
50038867	4	ChEMBL_572335 (CHEMBL1033545)	Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as increase in cAMP production after 2 days by radioimmunoassay
50038878	5	ChEMBL_575384 (CHEMBL1027058)	Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038878	6	ChEMBL_575383 (CHEMBL1027057)	Agonist activity at human recombinant delta opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50038878	7	ChEMBL_575379 (CHEMBL1027053)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum
50038878	8	ChEMBL_575377 (CHEMBL1027051)	Displacement of [3H]DAMGO from mu opioid receptor in rat cerebellum membrane
50038878	9	ChEMBL_575378 (CHEMBL1027052)	Displacement of [3H]DADLE from delta opioid receptor in rat cerebellum membrane
50038882	9	ChEMBL_573424 (CHEMBL1061319)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane
50038882	10	ChEMBL_573428 (CHEMBL1061323)	Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cell membrane by [35S]GTPgamma binding assay
50038882	6	ChEMBL_573420 (CHEMBL1061315)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membrane
50038882	11	ChEMBL_573493 (CHEMBL1063046)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50038882	7	ChEMBL_573421 (CHEMBL1061316)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membrane
50038882	12	ChEMBL_573426 (CHEMBL1061321)	Agonist activity at human delta opioid receptor expressed in mouse HN9.10 cell membrane by [35S]GTPgamma binding assay
50038882	13	ChEMBL_573423 (CHEMBL1061318)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane
50038882	14	ChEMBL_573491 (CHEMBL1063044)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50012345	5	ChEBML_156373	Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determined
50012345	8	ChEBML_44704	Inhibition of cytochrome P450 3A4
50012345	7	ChEBML_44703	Inhibition of cytochrome P450 2D6
50012345	6	ChEMBL_44704 (CHEMBL659098)	Inhibition of cytochrome P450 3A4
50012345	2	ChEBML_44702	Inhibition of cytochrome P450 2C9
50012345	1	ChEBML_44700	Inhibition of cytochrome P450 1A2
50012345	9	ChEMBL_156373 (CHEMBL761702)	Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determined
50012345	4	ChEBML_44701	Inhibition of cytochrome P450 2C19
50012346	1	ChEBML_164853	Dissociation constant for binding to Retinoic acid receptor RXR-alpha
50038892	5	ChEMBL_577585 (CHEMBL1058734)	Binding affinity to adrenergic beta2 receptor in Hartley guinea pig tracheal ring
50038892	6	ChEMBL_577586 (CHEMBL1058735)	Binding affinity to human adrenergic beta2 receptor
50038892	3	ChEMBL_577488 (CHEMBL1057071)	Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced contraction
50038892	2	ChEMBL_577578 (CHEMBL1058727)	Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced contraction
50038898	21	ChEMBL_581983 (CHEMBL1058963)	Inhibition of BCR-ABL p210
50038898	23	ChEMBL_581975 (CHEMBL1058955)	Inhibition of insulin receptor-mediated proliferation of mouse NIH/3T3 cells after 48 hrs by MTT assay
50038898	19	ChEMBL_582005 (CHEMBL1056478)	Inhibition of IGF1R in IGF1-stimulated human MCF7 cells by Western blot analysis
50012352	2	ChEBML_87073	In vitro binding affinity for Histamine H3 receptor
50038898	24	ChEMBL_582008 (CHEMBL1056481)	Inhibition of IGF1R autophosphorylation in human MCF7 cells by ELISA
50038898	14	ChEMBL_582001 (CHEMBL1055738)	Inhibition of IGF1R in growth factor-stimulated NHDF
50038898	17	ChEMBL_582003 (CHEMBL1055740)	Inhibition of IGF1R in human MCF7 cells by Western blot analysis
50038904	1	ChEMBL_580496 (CHEMBL1052523)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells
50038904	8	ChEMBL_580504 (CHEMBL1053218)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting
50012356	1	ChEMBL_145929 (CHEMBL882035)	Inhibitory activity against Opioid receptor kappa 1 using [3H]diprenorphine
50012356	4	ChEMBL_148692 (CHEMBL751065)	Inhibitory activity against Opioid receptor mu 1 using [3H]DAMGO
50012356	6	ChEMBL_145931 (CHEMBL752597)	Inhibitory activity against Opioid receptor kappa 1 using [3H]diprenorphine
50038904	3	ChEMBL_580498 (CHEMBL1052525)	Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells
50012356	3	ChEMBL_145889 (CHEMBL754255)	Inhibitory activity against Opioid receptor delta 1 using [3H]DPDPE
50012358	3	ChEMBL_63673 (CHEMBL670476)	Compound was evaluated for inhibitory activity against human Endothelin B receptor (ETB)
50012358	6	ChEMBL_65473 (CHEMBL876873)	Compound was evaluated for inhibitory activity against human Endothelin A receptor (ETA)
50038904	9	ChEMBL_580503 (CHEMBL1053217)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting
50012358	2	ChEMBL_36786 (CHEMBL650307)	Compound was evaluated for inhibitory activity against human Angiotensin II receptor, type 1
50038904	10	ChEMBL_580502 (CHEMBL1053216)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting
50038904	2	ChEMBL_580497 (CHEMBL1052524)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50038905	5	ChEMBL_580942 (CHEMBL1054907)	Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme immunoassay
50038919	3	ChEMBL_595446 (CHEMBL1045211)	Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assay
50012360	1	ChEMBL_161567 (CHEMBL768930)	Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val
50012361	3	ChEMBL_67206 (CHEMBL678292)	Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase
50038919	4	ChEMBL_595447 (CHEMBL1045212)	Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay
50038937	9	ChEMBL_591459 (CHEMBL1052906)	Inhibition of beta2 adrenergic receptor
50038937	10	ChEMBL_591452 (CHEMBL1055304)	Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assay
50038937	4	ChEMBL_591453 (CHEMBL1055305)	Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in human HEK293 4.0-7 cells by liquid scintillation counting
50038967	6	ChEMBL_598017 (CHEMBL1046286)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from recombinant human NPC1L1 expressed in HEK cells by single tube filtration assay
50038967	2	ChEMBL_598015 (CHEMBL1046284)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from rat intestinal brush border membrane NPC1L1 by single tube filtration assay
50038972	13	ChEMBL_599549 (CHEMBL1038359)	Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in calcium level
50038972	8	ChEMBL_599548 (CHEMBL1037543)	Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in osteocalcin level
50012361	1	ChEMBL_69130 (CHEMBL681254)	Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite green assay
50038972	7	ChEMBL_599547 (CHEMBL1037542)	Inhibition of mouse Pyk2 in MC3TC3 cells assessed as increase in alkaline phosphatase level
50038972	10	ChEMBL_599545 (CHEMBL1037540)	Inhibition of human PyK2 Y402 autophosphorylation expressed in 293T cells by immunofluorescence assay
50038972	14	ChEMBL_599543 (CHEMBL1037538)	Inhibition of human Pyk2 by HTRF assay
50038978	6	ChEMBL_598678 (CHEMBL1050759)	Agonist activity at PTHR
50038978	7	ChEMBL_598674 (CHEMBL1050755)	Agonist activity at GIPR
50038978	8	ChEMBL_598675 (CHEMBL1050756)	Agonist activity at glucagon receptor
50038979	18	ChEMBL_599140 (CHEMBL1047195)	Inhibition of PKCeta by IMAP fluorescence polarization technology
50038979	19	ChEMBL_599154 (CHEMBL1047209)	Inhibition of human ERG
50038982	69	ChEMBL_600035 (CHEMBL1039228)	Inhibition of BACE1 after 10 to 15 mins by fluorescence assay
50038982	70	ChEMBL_599354 (CHEMBL1043695)	Inhibition of cathepsin D
50038982	59	ChEMBL_599361 (CHEMBL1043702)	Inhibition of cathepsin D in human MCF7 cells by fluorescence assay
50038982	18	ChEMBL_600052 (CHEMBL1039245)	Inhibition of cathepsin E after 10 to 15 mins by fluorescence assay
50038982	17	ChEMBL_600051 (CHEMBL1039244)	Inhibition of cathepsin D after 10 to 15 mins by fluorescence assay
50038982	71	ChEMBL_599356 (CHEMBL1043697)	Inhibition of ADAM9
50038982	72	ChEMBL_599357 (CHEMBL1043698)	Inhibition of ADAM10
50038982	73	ChEMBL_599355 (CHEMBL1043696)	Inhibition of cathepsin E
50038982	74	ChEMBL_600057 (CHEMBL1039250)	Inhibition of cathepsin X after 10 to 15 mins by fluorescence assay
50038982	67	ChEMBL_599367 (CHEMBL1043708)	Inhibition of cathepsin E in human MCF7 cells treated for 1 hr measured after washout and trypsin treatment by fluorescence assay
50038982	60	ChEMBL_599362 (CHEMBL1043703)	Inhibition of cathepsin E in human MCF7 cells by fluorescence assay
50038982	66	ChEMBL_599366 (CHEMBL1043707)	Inhibition of cathepsin D in human MCF7 cells treated for 1 hr measured after washout and trypsin treatment by fluorescence assay
50038982	54	ChEMBL_600085 (CHEMBL1041950)	Inhibition of TACE after 10 to 15 mins by fluorescence assay
50038982	68	ChEMBL_600088 (CHEMBL1041953)	Inhibition of tryptase beta2 after 10 to 15 mins by fluorescence assay
50039010	1	ChEMBL_597770 (CHEMBL1046248)	Inhibition of src kinase
50039010	21	ChEMBL_597777 (CHEMBL1046255)	Inhibition of PKCalpha
50039010	22	ChEMBL_597764 (CHEMBL1046242)	Inhibition of Aurora B
50039010	20	ChEMBL_597765 (CHEMBL1046243)	Inhibition of CDK1/Cyclin B
50039010	19	ChEMBL_597766 (CHEMBL1046244)	Inhibition of CDK2/Cyclin A
50039018	16	ChEMBL_601088 (CHEMBL1072485)	Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding
50039018	6	ChEMBL_601074 (CHEMBL1071833)	Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry
50039018	10	ChEMBL_601081 (CHEMBL1071840)	Activity at delta opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding
50039018	7	ChEMBL_601075 (CHEMBL1071834)	Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry
50039018	5	ChEMBL_601123 (CHEMBL1074538)	Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding
50039018	4	ChEMBL_601121 (CHEMBL1074536)	Inverse agonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding
50012361	4	ChEMBL_69122 (CHEMBL681464)	Concentration required for 50% Inhibition against recombinant wild type pig enzyme (F16BP) Fructose-1,6-bisphosphatase
50012361	7	ChEMBL_67208 (CHEMBL678293)	Inhibition of Epidermal growth factor receptor
50039018	17	ChEMBL_601079 (CHEMBL1071838)	Activity at mu opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding
50039018	8	ChEMBL_601076 (CHEMBL1071835)	Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry
50039018	18	ChEMBL_601089 (CHEMBL1072486)	Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding
50039018	13	ChEMBL_601087 (CHEMBL1072484)	Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding
50039018	2	ChEMBL_601117 (CHEMBL1074532)	Inverse agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding
50039018	19	ChEMBL_601090 (CHEMBL1072487)	Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding
50039018	3	ChEMBL_601119 (CHEMBL1074534)	Inverse agonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding
50012363	2	ChEMBL_48930 (CHEMBL665925)	Concentration required for 50% inhibition of cholesteryl ester transfer protein in presence of buffer.
50012363	1	ChEMBL_48929 (CHEMBL875702)	Concentration required for 50% Inhibition against Cholesteryl ester transfer protein in presence of human serum
50012363	4	ChEMBL_48923 (CHEMBL660753)	Concentration required for 50% Inhibition against Cholesteryl ester transfer protein (CETP) mediated transfer in cholesterol fed hamster serum
50012363	3	ChEMBL_48931 (CHEMBL665926)	Inhibition of cholesteryl ester transfer protein in presence of human serum
50039018	11	ChEMBL_601083 (CHEMBL1071842)	Activity at kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding
50012366	3	ChEMBL_154454 (CHEMBL756367)	Concentration required for 50% Inhibition of activity against Protein Tyrosine Phosphatases 1B
50012366	2	ChEMBL_162597 (CHEMBL857423)	Concentration required for 50% Inhibition of activity against Protein-tyrosine phosphatase Lar
50012366	1	ChEMBL_162124 (CHEMBL765998)	Concentration required for 50% Inhibition of activity against Yersinia Protein-tyrosine phosphatase
50039036	39	ChEMBL_604294 (CHEMBL1066750)	Displacement of [3H]DADLE from human DOR
50039036	40	ChEMBL_604284 (CHEMBL1066740)	Displacement of [125I]Iodopindolol from human adrenergic beta2 receptor
50039036	41	ChEMBL_604281 (CHEMBL1066737)	Displacement of [3H]Clonidine from human adrenergic alpha2B receptor
50039037	2	ChEMBL_605690 (CHEMBL1071220)	Displacement of [3H]T0901317 from human recombinant LXRbeta LBD
50039037	1	ChEMBL_605689 (CHEMBL1071219)	Displacement of [3H]T0901317 from human recombinant LXRalpha LBD
50039037	5	ChEMBL_605693 (CHEMBL1071223)	Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay
50039037	6	ChEMBL_605692 (CHEMBL1071222)	Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay
50039041	6	ChEMBL_608663 (CHEMBL1067149)	Inhibition of CDC2
50039045	1	ChEMBL_610349 (CHEMBL1072081)	Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay
50039045	6	ChEMBL_610344 (CHEMBL1072076)	Binding affinity to human GalR1
50039045	3	ChEMBL_610350 (CHEMBL1072082)	Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay
50039054	38	ChEMBL_608388 (CHEMBL1074422)	Inhibition of CDK7/cyclin H by scintillation proximity assay
50039054	44	ChEMBL_608397 (CHEMBL1074431)	Inhibition of Aurora B by scintillation proximity assay
50039054	37	ChEMBL_608387 (CHEMBL1074421)	Inhibition of CDK5/p25 by scintillation proximity assay
50039054	39	ChEMBL_608389 (CHEMBL1074423)	Inhibition of CDK1/cyclin B
50039054	40	ChEMBL_608385 (CHEMBL1074419)	Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay
50039054	41	ChEMBL_608386 (CHEMBL1074420)	Inhibition of CDK2/cyclin E by scintillation proximity assay
50039054	45	ChEMBL_608399 (CHEMBL1074433)	Inhibition of CHK1 by scintillation proximity assay
50039054	43	ChEMBL_608391 (CHEMBL1074425)	Inhibition of CDK9/cyclin T1 by scintillation proximity assay
50039054	42	ChEMBL_608390 (CHEMBL1074424)	Inhibition of CDK4/cyclin D1 by scintillation proximity assay
50039054	46	ChEMBL_608419 (CHEMBL1064448)	Inhibition of PKCalpha by scintillation proximity assay
50039067	9	ChEMBL_613352 (CHEMBL1074289)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in absence of 100 uM GTP
50039067	19	ChEMBL_613366 (CHEMBL1068173)	Binding affinity to mouse adenosine A1 receptor
50039067	14	ChEMBL_613342 (CHEMBL1074279)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex membrane
50039067	10	ChEMBL_613353 (CHEMBL1074290)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP
50039071	9	ChEMBL_607703 (CHEMBL1066168)	Inhibition of human ROCK2 by IMAP assay
50012375	1	ChEMBL_155144 (CHEMBL760185)	Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (PAF)
50039071	28	ChEMBL_607684 (CHEMBL1071706)	Inhibition of human ROCK1 by homogenous luciferase assay
50039071	29	ChEMBL_611723 (CHEMBL1074317)	Inhibition of human CYP3A4 using BQ substrate by fluorescence assay
50039071	30	ChEMBL_607685 (CHEMBL1071707)	Inhibition of human ROCK2 by homogenous luciferase assay
50039071	31	ChEMBL_611415 (CHEMBL1065746)	Inhibition of PRKG1
50039071	27	ChEMBL_611722 (CHEMBL1074316)	Inhibition of human CYP3A4 using BFC substrate by fluorescence assay
50023852	1	ChEMBL_483865 (CHEMBL1004445)	Displacement of [3H]DPCPX from rat brain adenosine A1 receptor
50023853	1	ChEMBL_483867 (CHEMBL1004447)	Inhibition of aldose reductase in rat lens homogenates by fluorophotometer
50039076	5	ChEMBL_608809 (CHEMBL1068401)	Inhibition of CHK1 by DELFIA assay
50039076	6	ChEMBL_608807 (CHEMBL1068399)	Inhibition of CHK2 by DELFIA assay
50039082	4	ChEMBL_612751 (CHEMBL1071577)	Inhibition of human BACE1 by FRET assay
50039095	1	ChEMBL_619925 (CHEMBL1113136)	Inhibition of human recombinant BACE1 at 100 uM
50039095	3	ChEMBL_619926 (CHEMBL1113137)	Inhibition of BACE1
50039102	34	ChEMBL_616121 (CHEMBL1102984)	Inhibition of PKCalpha
50039102	35	ChEMBL_616120 (CHEMBL1102983)	Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counting
50039102	36	ChEMBL_616239 (CHEMBL1101132)	Inhibition of AURKB
50039109	4	ChEMBL_615505 (CHEMBL1105983)	Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter
50039111	10	ChEMBL_627202 (CHEMBL1114556)	Inhibition of CHK1
50039127	7	ChEMBL_624017 (CHEMBL1116903)	Agonist activity at human recombinant MC3 receptor expressed in CHO cells assessed as cAMP accumulation by enzyme fragment complementation assay
50039127	8	ChEMBL_624023 (CHEMBL1116909)	Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting
50039127	1	ChEMBL_624014 (CHEMBL1108859)	Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay
50039127	9	ChEMBL_624020 (CHEMBL1116906)	Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay
50039127	10	ChEMBL_624018 (CHEMBL1116904)	Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay
50039133	25	ChEMBL_630516 (CHEMBL1104788)	Inhibition of human Aurora B by rapid dilution method
50039133	8	ChEMBL_630524 (CHEMBL1104796)	Competitive inhibition of Aurora B ATP binding site
50039133	24	ChEMBL_630571 (CHEMBL1108285)	Inhibition of CYP2D6
50039133	26	ChEMBL_630525 (CHEMBL1104797)	Competitive inhibition of Aurora C ATP binding site
50039133	12	ChEMBL_630544 (CHEMBL1108258)	Competitive inhibition of human Aurora A ATP binding site
50039133	7	ChEMBL_630523 (CHEMBL1104795)	Inhibition of Aurora A
50039133	10	ChEMBL_630521 (CHEMBL1104793)	Competitive inhibition of human Aurora B ATP binding site by rapid dilution method
50039133	23	ChEMBL_630570 (CHEMBL1108284)	Inhibition of CYP2C9
50039137	8	ChEMBL_631962 (CHEMBL1104718)	Displacement of [3H]deltorphine-2 from human delta opioid receptor expressed in CHOK1 cells
50039137	1	ChEMBL_631975 (CHEMBL1107423)	Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins by microplate luminescence assay
50039137	9	ChEMBL_631958 (CHEMBL1104714)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting
50039137	10	ChEMBL_631960 (CHEMBL1104716)	Displacement of [3H]Cl977 from human kappa opioid receptor expressed in HEK293 cells
50039137	2	ChEMBL_631977 (CHEMBL1107425)	Displacement of [(3)H]U69593 from mu opioid receptor
50039151	3	ChEMBL_632175 (CHEMBL1106508)	Inhibition of PDE5
50039154	2	ChEMBL_629544 (CHEMBL1120962)	Inhibition of CRF1 receptor
50039154	10	ChEMBL_629560 (CHEMBL1120978)	Binding affinity to delta opioid receptor
50039162	11	ChEMBL_633180 (CHEMBL1118617)	Inhibition of human recombinant Aurora B expressed in baculovirus system
50039162	12	ChEMBL_633185 (CHEMBL1118622)	Inhibition of CYP2A6 from human liver microsome by LC-MS/MS analysis
50039169	4	ChEMBL_633487 (CHEMBL1119299)	Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039169	5	ChEMBL_633486 (CHEMBL1119298)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039169	6	ChEMBL_633488 (CHEMBL1119300)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039210	9	ChEMBL_639788 (CHEMBL1175733)	Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cells
50039210	10	ChEMBL_639789 (CHEMBL1175734)	Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cells
50039210	11	ChEMBL_639787 (CHEMBL1175732)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50039210	12	ChEMBL_639786 (CHEMBL1175731)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells
50039210	13	ChEMBL_639790 (CHEMBL1175735)	Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells
50012380	1	ChEMBL_142614 (CHEMBL751152)	Inhibition of [125I]- RTI -55 binding at the Norepinephrine transporter sites on HEK-hNET cells
50012380	4	ChEMBL_61495 (CHEMBL672989)	Ability to displace [3H]WIN-35428 from dopamine transporter on guinea pig striatal membrane.
50012380	6	ChEMBL_61827 (CHEMBL672591)	Ability to displace [3H]WIN-35428 from dopamine transporter on rat striatal membrane.
50012380	3	ChEMBL_61671 (CHEMBL670049)	Inhibition of [125I]- RTI -55 binding at the Dopamine transporter sites on HEK-hDAT cells
50012380	7	ChEMBL_62322 (CHEMBL674261)	Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells
50012380	5	ChEMBL_201484 (CHEMBL805241)	Inhibition of [125I]- RTI -55 binding at the Serotonin transporter sites on HEK-hSERT cells
50012381	1	ChEMBL_62181 (CHEMBL672120)	Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putamen tissue
50012382	1	ChEMBL_201963 (CHEMBL809149)	Binding affinity towards Serotonin transporter (5-HTT) in rat frontal cortex homogenates
50012382	3	ChEMBL_867 (CHEMBL881290)	Inhibition of (+)-8-OH-DPAT stimulated [35S]GTP-gamma-S, binding to 5-hydroxytryptamine 1A receptor in hippocampal membranes
50012382	2	ChEMBL_1140 (CHEMBL616085)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenates
50039216	5	ChEMBL_639904 (CHEMBL1173978)	Inhibition of CHK1 by DELFIA
50039223	12	ChEMBL_642143 (CHEMBL1176694)	Inhibition of AuroraB
50039223	10	ChEMBL_642166 (CHEMBL1176717)	Inhibition of human FLT3 phosphorylation in HUVEC cells after 24 hrs by Western blotting
50039223	9	ChEMBL_642164 (CHEMBL1176715)	Inhibition of human cKIT phosphorylation in HUVEC cells after 24 hrs by Western blotting
50039223	11	ChEMBL_642165 (CHEMBL1176716)	Inhibition of human KDR phosphorylation in HUVEC cells after 24 hrs by Western blotting
50039223	13	ChEMBL_642157 (CHEMBL1176708)	Inhibition of KDR
50039242	10	ChEMBL_643223 (CHEMBL1177034)	Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting
50012386	2	ChEMBL_222141 (CHEMBL822229)	In vitro inhibition of papain.
50039242	9	ChEMBL_643252 (CHEMBL1177063)	Inhibition of CYP3A4
50012386	3	ChEMBL_48318 (CHEMBL872473)	Inhibition of Human Cathepsin K
50039246	12	ChEMBL_644686 (CHEMBL1211665)	Inhibition of BACE1
50012386	1	ChEMBL_47430 (CHEMBL662617)	Inhibition of Human Cathepsin B
50039246	13	ChEMBL_644688 (CHEMBL1211667)	Inhibition of Cathepsin D
50039246	14	ChEMBL_644687 (CHEMBL1211666)	Inhibition of BACE2
50039246	15	ChEMBL_644698 (CHEMBL1211677)	Inhibition of CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin substrate
50039248	2	ChEMBL_643854 (CHEMBL1211753)	Inhibition of BACE1 after 60 mins by FRET assay
50039251	2	ChEMBL_644781 (CHEMBL1211024)	Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay
50012388	3	ChEMBL_105243 (CHEMBL712573)	Binding affinity against human Melatonin receptor type 1A (MT1)
50012388	2	ChEMBL_105275 (CHEMBL718943)	Binding affinity against human Melatonin receptor type 1B (MT2)
50012389	4	ChEMBL_105716 (CHEMBL719083)	Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 1
50012389	5	ChEMBL_106063 (CHEMBL718228)	Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 2
50012389	2	ChEMBL_106689 (CHEMBL714670)	Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 4
50012389	3	ChEMBL_104280 (CHEMBL711715)	Compound was evaluated for the inhibitory activity against cloned Metabotropic glutamate receptor 5
50012389	1	ChEMBL_140550 (CHEMBL747256)	Binding affinity towards N-methyl-D-aspartate glutamate receptor (NMDA) determined electrophysically using the rat cortical wedge model.
50039257	2	ChEMBL_647607 (CHEMBL1219958)	Inhibition of BACE1 at 20 ug/ml by FRET assay
50039264	38	ChEMBL_653792 (CHEMBL1226914)	Inhibition of cdk1
50039264	39	ChEMBL_653803 (CHEMBL1226925)	Inhibition of Aurora-B
50039264	40	ChEMBL_653805 (CHEMBL1226927)	Inhibition of chk1
50039281	48	ChEMBL_659513 (CHEMBL1248686)	Binding affinity to human adenosine A1 receptor by radioligand displacement assay
50039281	29	ChEMBL_659578 (CHEMBL1248873)	Binding affinity to human MT1 receptor by radioligand displacement assay
50039281	6	ChEMBL_659446 (CHEMBL1248356)	Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	23	ChEMBL_659577 (CHEMBL1248872)	Binding affinity to human adenosine A1 receptor agonist site by radioligand displacement assay
50039281	24	ChEMBL_659576 (CHEMBL1248871)	Binding affinity to nAChR alpha4beta2 receptor by radioligand displacement assay
50039281	32	ChEMBL_659494 (CHEMBL1248547)	Binding affinity to human MC4 receptor by radioligand displacement assay
50039281	25	ChEMBL_659498 (CHEMBL1248551)	Binding affinity to human 5-HT2A agonist site receptor by radioligand displacement assay
50039281	45	ChEMBL_659511 (CHEMBL1248564)	Binding affinity to human muscarinic M1 receptor by radioligand displacement assay
50039281	27	ChEMBL_659497 (CHEMBL1248550)	Binding affinity to human 5-HT2B agonist site receptor by radioligand displacement assay
50039281	30	ChEMBL_659491 (CHEMBL1248544)	Binding affinity to human histamine H3 receptor by radioligand displacement assay
50039281	33	ChEMBL_659493 (CHEMBL1248546)	Binding affinity to human mu opioid receptor agonist site by radioligand displacement assay
50039281	31	ChEMBL_659495 (CHEMBL1248548)	Binding affinity to human adrenergic beta-1 receptor by radioligand displacement assay
50039281	57	ChEMBL_659586 (CHEMBL1248881)	Binding affinity to human CCK2 receptor by radioligand displacement assay
50012392	6	ChEMBL_200786 (CHEMBL808310)	Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 0.7 M of FMS
50012392	3	ChEMBL_200913 (CHEMBL804551)	The compound was evaluated for pharmacokinetic parameters Serum albumin associating affinity
50012392	8	ChEMBL_200907 (CHEMBL804546)	Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 2.1 M of FMS
50012392	9	ChEMBL_30688 (CHEMBL646316)	The compound was evaluated for albumin associating affinity 0.7 M of FMS
50012392	7	ChEMBL_30689 (CHEMBL646317)	The compound was evaluated for albumin associating affinity along with 1.3 M of FMS
50012392	4	ChEMBL_200787 (CHEMBL808311)	Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 1.3 M of FMS
50012392	5	ChEMBL_200908 (CHEMBL804547)	Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 3.0 M of FMS
50012392	1	ChEMBL_30690 (CHEMBL646318)	The compound was evaluated for albumin associating affinity along with 2.1 M of FMS
50012392	2	ChEMBL_30814 (CHEMBL645089)	The compound was evaluated for albumin associating affinity along with 3.0 M of FMS
50012394	3	ChEMBL_37200 (CHEMBL650801)	Inhibition of [3H]Ro-5-4864 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)
50012394	2	ChEMBL_37198 (CHEMBL650799)	Inhibition of [3H]PK11195 binding to Peripheral type benzodiazepine receptor (PBR) in rat cortex homogenate by 50%
50012394	1	ChEMBL_37199 (CHEMBL650800)	Inhibition of [3H]PK11195 binding to mitochondrial rat testis Peripheral type benzodiazepine receptor (PBR)
50039281	51	ChEMBL_659595 (CHEMBL1248890)	Binding affinity to human NK1 receptor by radioligand displacement assay
50039281	64	ChEMBL_659455 (CHEMBL1248508)	Displacement of [3H]-AFDX-384 from human muscarinic M2 receptor expressed in CHO-K1 cells
50039281	65	ChEMBL_659457 (CHEMBL1248510)	Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells
50039281	55	ChEMBL_659588 (CHEMBL1248883)	Binding affinity to adrenergic beta2 receptor by radioligand displacement assay
50039281	53	ChEMBL_659593 (CHEMBL1248888)	Binding affinity to human choline transporter (CHT1) by radioligand displacement assay
50039281	22	ChEMBL_659610 (CHEMBL1249044)	Binding affinity to human adenosine A2A receptor by radioligand displacement assay
50039281	49	ChEMBL_659591 (CHEMBL1248886)	Binding affinity to ML2 (MT3) receptor by radioligand displacement assay
50039281	44	ChEMBL_659599 (CHEMBL1248894)	Binding affinity to human CB1 receptor by radioligand displacement assay
50039281	36	ChEMBL_659487 (CHEMBL1248540)	Binding affinity to p38alpha by radioligand displacement assay
50039281	34	ChEMBL_659489 (CHEMBL1248542)	Binding affinity to human dopamine D1 receptor by radioligand displacement assay
50039281	63	ChEMBL_659582 (CHEMBL1248877)	Binding affinity to kappa opioid receptor by radioligand displacement assay
50039281	61	ChEMBL_659584 (CHEMBL1248879)	Binding affinity to human 5-HT7 receptor by radioligand displacement assay
50039281	38	ChEMBL_659601 (CHEMBL1248896)	Binding affinity to human NE transporter by radioligand displacement assay
50039281	18	ChEMBL_659605 (CHEMBL1249039)	Binding affinity to human NK2 receptor by radioligand displacement assay
50039281	8	ChEMBL_659452 (CHEMBL1248362)	Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	60	ChEMBL_659502 (CHEMBL1248555)	Binding affinity to human glucocorticoid receptor by radioligand displacement assay
50039281	20	ChEMBL_659609 (CHEMBL1249043)	Binding affinity to human UT1 receptor by radioligand displacement assay
50039281	59	ChEMBL_659504 (CHEMBL1248557)	Binding affinity to human D2S agonist site receptor by radioligand displacement assay
50039281	66	ChEMBL_659506 (CHEMBL1248559)	Binding affinity to human adrenergic alpha2A receptor by radioligand displacement assay
50039281	40	ChEMBL_659508 (CHEMBL1248561)	Binding affinity to human 5-HT4e receptor by radioligand displacement assay
50039281	56	ChEMBL_659587 (CHEMBL1248882)	Binding affinity to MAOA by radioligand displacement assay
50039281	39	ChEMBL_659600 (CHEMBL1248895)	Binding affinity to 5-HT1B receptor by radioligand displacement assay
50039281	19	ChEMBL_659604 (CHEMBL1249038)	Binding affinity to human adenosine A3 receptor by radioligand displacement assay
50039281	67	ChEMBL_659490 (CHEMBL1248543)	Binding affinity to human dopamine D2S receptor by radioligand displacement assay
50039281	42	ChEMBL_659505 (CHEMBL1248558)	Binding affinity to human muscarinic M4 receptor by radioligand displacement assay
50039281	68	ChEMBL_659456 (CHEMBL1248509)	Displacement of [3H]-4-DAMP from human muscarinic M3 receptor expressed in BHK-21 cells
50039281	62	ChEMBL_659583 (CHEMBL1248878)	Binding affinity to human 5HT2C receptor agonist site by radioligand displacement assay
50039281	43	ChEMBL_659509 (CHEMBL1248562)	Binding affinity to human dopamine transporter by radioligand displacement assay
50039281	21	ChEMBL_659608 (CHEMBL1249042)	Binding affinity to human 5-HT3 receptor by radioligand displacement assay
50039281	35	ChEMBL_659488 (CHEMBL1248541)	Binding affinity to human acetylcholine esterase by radioligand displacement assay
50039281	41	ChEMBL_659507 (CHEMBL1248560)	Binding affinity to human ETA receptor by radioligand displacement assay
50039281	58	ChEMBL_659585 (CHEMBL1248880)	Binding affinity to human dopamine D3 receptor by radioligand displacement assay
50039281	47	ChEMBL_659596 (CHEMBL1248891)	Binding affinity to human neuropeptide Y1 receptor by radioligand displacement assay
50039281	69	ChEMBL_659458 (CHEMBL1248511)	Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cells
50039281	37	ChEMBL_659486 (CHEMBL1248539)	Binding affinity to Lyn by radioligand displacement assay
50039281	28	ChEMBL_659574 (CHEMBL1248869)	Binding affinity to human muscarinic M2 receptor by radioligand displacement assay
50039281	70	ChEMBL_659581 (CHEMBL1248876)	Binding affinity to adrenergic alpha2B receptor by radioligand displacement assay
50039281	71	ChEMBL_659614 (CHEMBL1249048)	Binding affinity to human adrenergic Alpha-1D receptor by radioligand displacement assay
50039281	46	ChEMBL_659598 (CHEMBL1248893)	Binding affinity to human 5-HT transporter by radioligand displacement assay
50039281	52	ChEMBL_659594 (CHEMBL1248889)	Binding affinity to I1 receptor by radioligand displacement assay
50039281	50	ChEMBL_659590 (CHEMBL1248885)	Binding affinity to human histamine H2 receptor by radioligand displacement assay
50039281	72	ChEMBL_659496 (CHEMBL1248549)	Binding affinity to human 5-HT1A receptor by radioligand displacement assay
50039281	26	ChEMBL_659575 (CHEMBL1248870)	Binding affinity to human muscarinic M3 receptor by radioligand displacement assay
50039293	6	ChEMBL_662215 (CHEMBL1252307)	Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting
50012400	1	ChEMBL_212264 (CHEMBL816289)	Inhibition of Escherichia coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.
50039293	7	ChEMBL_662213 (CHEMBL1252204)	Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting
50012401	3	ChEMBL_202155 (CHEMBL808142)	Compound was tested for the inhibition of serotonin (5-HT) reuptake
50012401	5	ChEMBL_202158 (CHEMBL809991)	The inhibition of reuptake against Serotonin transporter (5-HT)
50012401	4	ChEMBL_202159 (CHEMBL808862)	Binding affinity for serotonin transporter (SERT) using [125I]RTI-55
50012401	8	ChEMBL_62819 (CHEMBL678068)	The inhibition of reuptake against dopamine transporter
50012401	6	ChEMBL_62946 (CHEMBL675530)	Binding affinity towards dopamine transporter (DAT) by using [125I]RTI-55 radioligand
50012401	2	ChEMBL_62814 (CHEMBL674126)	Compound was tested for the inhibition of dopamine (DA) reuptake
50012401	7	ChEMBL_142775 (CHEMBL750496)	Compound was tested for the inhibition of norepinephrine (NE) reuptake
50012401	1	ChEMBL_62947 (CHEMBL675531)	Binding affinity towards dopamine transporter (DAT) by using [125I]RTI-55 radioligand
50039293	8	ChEMBL_662214 (CHEMBL1252205)	Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting
50039293	9	ChEMBL_662219 (CHEMBL1252311)	Agonist activity at delta opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50039299	7	ChEMBL_664311 (CHEMBL1259346)	Inhibition of delta opioid receptor
50039338	3	ChEMBL_702692 (CHEMBL1657628)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells
50012407	2	ChEBML_72761	Tested against glutathionylspermidine synthetase (GspS) in Crithidia fasciculata
50039338	7	ChEMBL_702694 (CHEMBL1657768)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50039338	4	ChEMBL_702693 (CHEMBL1657629)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50039338	8	ChEMBL_702696 (CHEMBL1657770)	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50012420	3	ChEMBL_72485 (CHEMBL685518)	Inhibition of Growth factor receptor bound protein 2 SH2 domain binding to p185erbB-2 receptor
50011580	5	ChEMBL_162380 (CHEMBL767468)	Inhibition of protein kinase C (PKC) from rat brain homogenate
50012416	2	ChEBML_159764	In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determined
50011584	8	ChEMBL_146502 (CHEMBL873931)	Binding affinity for kappa opioid receptor by displacing [3H]U-69593 was determined
50011584	10	ChEMBL_146500 (CHEMBL754610)	Binding affinity for kappa opioid receptor by displacing U-69,593 was determined in [35S]GTP gamma-S binding assay
50039345	25	ChEMBL_701675 (CHEMBL1656567)	Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay
50039345	26	ChEMBL_701551 (CHEMBL1656190)	Inhibition of MST2
50039345	27	ChEMBL_701567 (CHEMBL1656206)	Inhibition of CHK1
50039345	28	ChEMBL_701553 (CHEMBL1656192)	Inhibition of JAK2
50039345	29	ChEMBL_701549 (CHEMBL1656188)	Inhibition of PKCA
50039345	30	ChEMBL_701548 (CHEMBL1656187)	Inhibition of PLK3
50039345	31	ChEMBL_701556 (CHEMBL1656195)	Inhibition of ERK2
50039345	32	ChEMBL_701562 (CHEMBL1656201)	Inhibition of LCK
50039345	33	ChEMBL_701547 (CHEMBL1656186)	Inhibition of RSK2
50039345	34	ChEMBL_701554 (CHEMBL1656193)	Inhibition of IKK-beta
50039345	35	ChEMBL_701563 (CHEMBL1656202)	Inhibition of KDR
50039345	36	ChEMBL_701545 (CHEMBL1656184)	Inhibition of TSSK2
50039345	37	ChEMBL_701561 (CHEMBL1656200)	Inhibition of AKT1
50039345	38	ChEMBL_701560 (CHEMBL1656199)	Inhibition of CAMK4
50039345	39	ChEMBL_701566 (CHEMBL1656205)	Inhibition of EPHB4
50039345	40	ChEMBL_701552 (CHEMBL1656191)	Inhibition of MET
50039345	41	ChEMBL_701565 (CHEMBL1656204)	Inhibition of FLT3
50039345	42	ChEMBL_701558 (CHEMBL1656197)	Inhibition of CSNK1D
50039345	43	ChEMBL_701559 (CHEMBL1656198)	Inhibition of CDK2
50039345	44	ChEMBL_701564 (CHEMBL1656203)	Inhibition of IRAK4
50039345	45	ChEMBL_701557 (CHEMBL1656196)	Inhibition of EGFR
50039345	46	ChEMBL_701550 (CHEMBL1656189)	Inhibition of NEK2
50039345	47	ChEMBL_701555 (CHEMBL1656194)	Inhibition of IGF1R
50039345	48	ChEMBL_701546 (CHEMBL1656185)	Inhibition of ROCK2
50039349	10	ChEMBL_702517 (CHEMBL1657031)	Inhibition of PKCalpha
50039349	3	ChEMBL_701880 (CHEMBL1657304)	Inhibition of GST-tagged Jak3 expressed in insect cells using 18 uM ATP
50039356	3	ChEMBL_701436 (CHEMBL1655854)	Inhibition of PKCalpha
50039357	3	ChEMBL_701579 (CHEMBL1656338)	Inhibition of Aurora B by ELISA
50012426	12	ChEMBL_32715 (CHEMBL644096)	Effective concentration in vitro against rat aorta Alpha-1D adrenergic receptor;* indicates EC50 < 15% at a concentration of 10 uM
50012426	5	ChEMBL_33279 (CHEMBL644239)	Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (1.6 -2.5)
50012426	1	ChEMBL_34311 (CHEMBL648096)	Binding affinity towards hamster cloned Alpha-1B adrenergic receptor mean;value ranges from( 6.4 -14)
50012426	4	ChEMBL_33550 (CHEMBL647809)	Effective concentration in vitro against rabbit urethra Alpha-1 adrenergic receptor
50012426	7	ChEMBL_32727 (CHEMBL645999)	Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (1.3 -1.6)
50012426	16	ChEMBL_34627 (CHEMBL647272)	Effective concentration in vitro against rat spleen Alpha-1B adrenergic receptor indicates EC50 < 15% at a concentration of 10 uM
50012426	6	ChEMBL_34200 (CHEMBL649217)	Binding affinity towards hamster cloned Alpha-1B adrenergic receptor; value ranges from (2.0 -4.4)
50012426	9	ChEMBL_32726 (CHEMBL645998)	Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (0.24 -0.32)
50012426	10	ChEMBL_32729 (CHEMBL873040)	Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (1.5 - 1.9)
50012426	13	ChEMBL_32728 (CHEMBL646000)	Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (5.5 -13)
50012426	11	ChEMBL_33892 (CHEMBL645470)	Effective concentration in vitro against rabbit urethra Alpha-1A adrenergic receptor
50012426	3	ChEMBL_34201 (CHEMBL649218)	Binding affinity towards hamster cloned Alpha-1B adrenergic receptor; value ranges from (6.2 -7.7)
50012426	8	ChEMBL_33278 (CHEMBL644238)	Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.12 - 0.15)
50012426	14	ChEMBL_33280 (CHEMBL644240)	Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.009 - 0.015)
50012426	2	ChEMBL_34199 (CHEMBL649216)	Binding affinity towards hamster cloned Alpha-1B adrenergic receptor; value ranges from (0.76 -1.0)
50012426	15	ChEMBL_33281 (CHEMBL644241)	Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (6.2 - 15)
50012427	4	ChEMBL_223917 (CHEMBL846063)	Concentration required for 50% in vitro activity against rat SDH (sorbitol dehydrogenase)
50012427	3	ChEMBL_223917 (CHEMBL846063)	Concentration required for 50% in vitro activity against rat SDH (sorbitol dehydrogenase)
50039364	39	ChEMBL_714493 (CHEMBL1659151)	Agonist activity at human NOP receptor expressed in HEK293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillation counting
50039364	40	ChEMBL_714498 (CHEMBL1659156)	Displacement of [3H]DPDPE from human DOP receptor expressed in CHO-K1 cells after 45 mins
50039364	41	ChEMBL_714492 (CHEMBL1659150)	Agonist activity at human MOP receptor expressed in CHO-K1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillation counting
50039364	33	ChEMBL_714496 (CHEMBL1659154)	Displacement of [3H]DAMGO from human MOP receptor expressed in CHO-K1 cells after 45 mins
50039364	32	ChEMBL_714495 (CHEMBL1659153)	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins
50012430	10	ChEMBL_162603 (CHEMBL771315)	Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), using p-nitrophenyl phosphate substrate at pH 5.5.
50012430	6	ChEMBL_162415 (CHEMBL772648)	Inhibition of human recombinant Protein-tyrosine phosphatase 1B.
50012430	12	ChEMBL_162283 (CHEMBL770981)	Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP1B), using p-nitrophenyl phosphate substrate at pH 5.5.
50012430	9	ChEMBL_162594 (CHEMBL768410)	Inhibitory effect against protein-tyrosine phosphatase Lar, using p-nitrophenyl phosphate as substrate at pH 5.5.
50012430	5	ChEMBL_207125 (CHEMBL805109)	Inhibition of T cell protein tyrosine phosphatase (TC-PTP) at pH 7.0
50012430	4	ChEMBL_162602 (CHEMBL771000)	Inhibitory effect against human Protein-tyrosine phosphatase alpha (PTPalpha) using p-nitrophenyl phosphate substrate at a pH 7.0
50012430	1	ChEMBL_223552 (CHEMBL845858)	Inhibitory effect against recombinant human PTP1B (Protein Tyrosine phosphatase 1B) using p-nitrophenyl phosphate substrate at pH 5.5
50012430	7	ChEMBL_207126 (CHEMBL805110)	Inhibitory effect against inhibitory effect against T cell protein tyrosine phosphatase (TC-PTP) using p-nitrophenyl phosphate as substrate at pH 7.0
50012430	3	ChEMBL_40068 (CHEMBL655664)	Inhibitory effect against human CD45 tyrosine phosphatase using p-nitrophenyl phosphate substrate at a pH 7.0
50012430	2	ChEMBL_162595 (CHEMBL772431)	Inhibitory effect against human Protein-tyrosine phosphatase Lar using p-nitrophenyl phosphate substrate at a pH 7.0
50012430	8	ChEMBL_162284 (CHEMBL770982)	Inhibitory effect against recombinant human Protein-tyrosine phosphatase 1B (PTP1B) using p-nitrophenyl phosphate substrate at pH 5.5;ND is not determined
50012430	11	ChEMBL_207128 (CHEMBL805112)	Inhibitory effect against T cell protein tyrosine phosphatase (TC-PTP) using p-nitrophenyl phosphate as substrate at pH 7.0
50039364	42	ChEMBL_714497 (CHEMBL1659155)	Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins
50039364	4	ChEMBL_714490 (CHEMBL1659148)	Agonist activity at human KOP receptor expressed in HEK-293 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by liquid scintillation counting
50039364	38	ChEMBL_714770 (CHEMBL1663576)	Inhibition of human alpha2 adrenoceptor
50039372	9	ChEMBL_717390 (CHEMBL1670112)	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding
50039372	2	ChEMBL_717378 (CHEMBL1670100)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50039372	3	ChEMBL_717379 (CHEMBL1670101)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50039372	10	ChEMBL_717392 (CHEMBL1670114)	Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as inhibition of SNC80-induced [35S]GTPgammaS binding
50039372	4	ChEMBL_717382 (CHEMBL1670104)	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039372	1	ChEMBL_717377 (CHEMBL1670099)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50039377	33	ChEMBL_718275 (CHEMBL1679579)	Antagonist activity at 6his-tagged ERRalpha LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay
50039377	5	ChEMBL_718347 (CHEMBL1679767)	Binding affinity to PPARgamma by fluorescence polarization assay
50039377	11	ChEMBL_718355 (CHEMBL1679775)	Agonist activity at LXRbeta by TR-FRET assay
50039377	36	ChEMBL_718372 (CHEMBL1679904)	Antagonist activity at human ERalpha LBD in human MCF7 cells assessed as inhibition of estradiol-induced cell proliferation after up to 6 days by celltiter-glo assay
50039377	37	ChEMBL_718362 (CHEMBL1679782)	Antagonist activity at RARalpha by TR-FRET assay
50039377	15	ChEMBL_718359 (CHEMBL1679779)	Antagonist activity at ERbeta by TR-FRET assay
50039377	38	ChEMBL_718361 (CHEMBL1679781)	Antagonist activity at LXRbeta by TR-FRET assay
50039377	39	ChEMBL_718360 (CHEMBL1679780)	Antagonist activity at LXRalpha by TR-FRET assay
50039377	1	ChEMBL_718276 (CHEMBL1679580)	Antagonist activity at ERRalpha LBD expressed in HEK293 cells assessed as Gal4-SRC2 interaction by two hybrid luciferase reporter gene assay
50039377	8	ChEMBL_718350 (CHEMBL1679770)	Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay
50039377	7	ChEMBL_718349 (CHEMBL1679769)	Binding affinity to ERbeta by fluorescence polarization assay
50039377	19	ChEMBL_718364 (CHEMBL1679784)	Agonist activity at human ERalpha LBD in human MCF7 cells assessed as induction of cell proliferation after up to 6 days by celltiter-glo assay
50039377	6	ChEMBL_718348 (CHEMBL1679768)	Binding affinity to ERalpha by fluorescence polarization assay
50039383	48	ChEMBL_718158 (CHEMBL1679204)	Binding affinity to DOR
50039383	49	ChEMBL_718866 (CHEMBL1681248)	Binding affinity to adrenergic alpha2B receptor
50039383	50	ChEMBL_718869 (CHEMBL1681363)	Binding affinity to adrenergic beta2 receptor
50039408	2	ChEMBL_742590 (CHEMBL1769433)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting
50039408	7	ChEMBL_742584 (CHEMBL1769427)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting
50039408	8	ChEMBL_742587 (CHEMBL1769430)	Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50039408	3	ChEMBL_742593 (CHEMBL1769436)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding by scintillation counting
50039408	5	ChEMBL_742583 (CHEMBL1769426)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50012435	1	ChEMBL_44100 (CHEMBL653085)	Ability to inhibit the incorporation of dATP into DNA by DNA polymerase alpha
50039408	9	ChEMBL_742586 (CHEMBL1769429)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50039412	3	ChEMBL_743044 (CHEMBL1768515)	Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry
50039412	4	ChEMBL_743045 (CHEMBL1768516)	Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry
50039421	10	ChEMBL_753179 (CHEMBL1799272)	Displacement of [125I]-IBNtxA from MOR-1 expressed in CHO cells
50039421	2	ChEMBL_753182 (CHEMBL1799275)	Displacement of [125I]-IBNtxA from DOR-1 expressed in CHO cells
50039421	14	ChEMBL_753185 (CHEMBL1799278)	Displacement of [125I]-IBNalA from KOR-1 expressed in CHO cells
50039421	15	ChEMBL_753181 (CHEMBL1799274)	Displacement of [125I]-IBOxyA from MOR-1 expressed in CHO cells
50039421	16	ChEMBL_753178 (CHEMBL1799271)	Binding affinity to DOR-1 expressed in CHO cells after 90 mins
50039421	6	ChEMBL_753175 (CHEMBL1799268)	Displacement of [3H]-DPDPE from DOR-1 expressed in CHO cells after 60 mins
50039421	3	ChEMBL_753183 (CHEMBL1799276)	Displacement of [125I]-IBNalA from DOR-1 expressed in CHO cells
50039421	11	ChEMBL_753180 (CHEMBL1799273)	Displacement of [125I]-IBNalA from MOR-1 expressed in CHO cells
50039421	5	ChEMBL_753174 (CHEMBL1799267)	Displacement of [3H]-U69593 from KOR-1 expressed in CHO cells after 60 mins
50039421	4	ChEMBL_753173 (CHEMBL1799266)	Displacement of [3H]-DAMGO from MOR-1 expressed in CHO cells after 150 mins
50039429	2	ChEMBL_755350 (CHEMBL1804506)	Binding affinity to recombinant human PKCeta in after 2 hrs by microequilibrium dialysis assay
50039496	10	ChEMBL_809667 (CHEMBL2015886)	Inhibition of CDK2/cyclin A using 5-FAM-GGGPATPKKAKKL-COOH as substrate after 1 hr by IMAP assay
50039496	11	ChEMBL_809664 (CHEMBL2015883)	Inhibition of CDK1
50039496	12	ChEMBL_809678 (CHEMBL2015897)	Inhibition of MNK2 using 5-FAM-TATKSGSTTKNRFVV-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 2 hrs by IMAP assay
50039497	7	ChEMBL_809526 (CHEMBL2015443)	Displacement of [125I]Iodocyanopindolol from human adrenergic beta2 receptor expressed in insect sf9 cells by scintillation counting
50039497	8	ChEMBL_809523 (CHEMBL2015440)	Agonist activity at human adrenergic beta1 receptor expressed in DHB-11 CHO cells assessed as cAMP accumulation after 20 mins by scintillation proximity assay
50039497	4	ChEMBL_809684 (CHEMBL2015995)	Agonist activity at human adrenergic beta2 receptor expressed in DHB-11 CHO cells assessed as cAMP accumulation after 20 mins by scintillation proximity assay
50039507	1	ChEMBL_811060 (CHEMBL2014640)	Binding affinity to BACE1 by surface plasmon resonance method
50039507	2	ChEMBL_811059 (CHEMBL2014639)	Binding affinity to BACE1 by NMR-based differential chemical shift perturbation method
50039507	4	ChEMBL_811058 (CHEMBL2014638)	Inhibition of human recombinant BACE1 incubated for 60 mins prior to substrate addition measured after 60 mins by FRET assay
50039511	7	ChEMBL_811251 (CHEMBL2015203)	Competitive inhibition of human recombinant AChE by Lineweaver-Burk plot analysis
50039511	8	ChEMBL_811247 (CHEMBL2015199)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins by spectrophotometry
50039511	3	ChEMBL_811255 (CHEMBL2015207)	Inhibition of human recombinant BACE-1 using M-2420 as substrate preincubated for 1 hr prior substrate addition measured after 15 mins by spectrofluorimetry
50039511	9	ChEMBL_811246 (CHEMBL2015198)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins by spectrophotometry
50039511	10	ChEMBL_811267 (CHEMBL2015219)	Inhibition of human BACE-1
50039521	6	ChEMBL_811982 (CHEMBL2013352)	Inhibition of Aurora B kinase
50012438	3	ChEMBL_70649 (CHEMBL678640)	Binding affinity against Gamma-amino-N-butyrate transaminase
50012438	2	ChEMBL_70647 (CHEMBL678638)	Concentration dependent inactivation of Gamma-amino-N-butyrate transaminase
50012438	1	ChEMBL_70648 (CHEMBL678639)	Concentration dependent inactivation of gGamma-amino-N-butyrate transaminase
50012440	1	ChEMBL_71700 (CHEMBL680914)	Binding affinity against Glutamate Racemase
50012441	1	ChEMBL_225035 (CHEMBL844995)	Inhibitory activity against squalene synthase derived from human hepatoma cells (HepG2)
50012441	2	ChEMBL_225034 (CHEMBL844994)	Inhibition of squalene synthase from human hepatoma cells (HepG2)
50012442	10	ChEMBL_157628 (CHEMBL766925)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain expressed
50012442	8	ChEMBL_157626 (CHEMBL766923)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (72-92)
50012442	5	ChEMBL_157618 (CHEMBL766388)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (1.1-2.2)
50012442	7	ChEMBL_157619 (CHEMBL766389)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (1.9-2.5)
50012442	6	ChEMBL_157623 (CHEMBL766920)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (38-62)
50012442	4	ChEMBL_157624 (CHEMBL766921)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (44-110)
50012442	9	ChEMBL_157625 (CHEMBL766922)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (59 - 100)
50012442	2	ChEMBL_157622 (CHEMBL766919)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (38-110)
50012442	1	ChEMBL_157620 (CHEMBL766917)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (12-14)
50012442	11	ChEMBL_157627 (CHEMBL766924)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (7800-54000)
50039521	7	ChEMBL_811985 (CHEMBL2013355)	Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay
50039521	3	ChEMBL_811983 (CHEMBL2013353)	Inhibition of TBK1-mediated NFkappaB activation expressed in ds-RNA activated HEK293 cells coexpressing TLR3 after 4.5 hrs by luciferase reporter gene assay
50039526	4	ChEMBL_812218 (CHEMBL2013813)	Inhibition of CDK1
50039526	5	ChEMBL_812217 (CHEMBL2013812)	Inhibition of aurora B kinase
50039532	5	ChEMBL_811468 (CHEMBL2013769)	Inhibition of Chk1
50012451	1	ChEBML_159288	Ability to prevent cleavage of acompound by the HIV protease wild-type enzyme
50012452	1	ChEBML_36185	Inhibition of aromatase activity in human placental microsomes
50012454	4	ChEBML_106631	Concentration required in vitro to inhibit Matrix metalloprotease-13
50012454	3	ChEBML_207329	Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE)
50012454	1	ChEBML_106290	Concentration required in vitro to inhibit Matrix metalloprotease-1
50012456	3	ChEBML_67839	Binding to Estrogen receptor- alpha (ER alpha) receptor
50012456	1	ChEBML_67835	Binding affinity for Estrogen receptor beta(ER beta) receptor
50012456	4	ChEMBL_67660 (CHEMBL673853)	Binding affinity for Estrogen receptor alpha (ER alpha) receptor
50012456	2	ChEMBL_67835 (CHEMBL677231)	Binding affinity for Estrogen receptor beta(ER beta) receptor
50012457	2	ChEBML_88710	Inhibitory activity of compound was evaluated against the inosine monophosphate dehydrogenase -II (IMPDH-II) enzyme
50012457	3	ChEBML_89795	Inhibitory activity of compound was evaluated against the Inosine-5'-monophosphate dehydrogenase 1
50012457	1	ChEMBL_88710 (CHEMBL700290)	Inhibitory activity of compound was evaluated against the inosine monophosphate dehydrogenase -II (IMPDH-II) enzyme
50012458	1	ChEBML_48473	Inhibition of amino terminally biotinylated E-76 peptide binding to immobilized fVIIa
50012459	2	ChEBML_48501	Binding affinity of compound was evaluated against cathepsin L.
50012459	1	ChEBML_48675	Binding affinity of compound was evaluated against cathepsin S.
50012459	3	ChEBML_45561	Binding affinity against cathepsin K
50012459	4	ChEBML_47423	Binding affinity against cathepsin B
50039535	3	ChEMBL_811848 (CHEMBL2014579)	Inhibition of CHK1 by time resolved fluorescence assay
50039543	2	ChEMBL_812462 (CHEMBL2014248)	Competitive inhibition of Chk1 in presence of higher ATP levels
50012465	1	ChEMBL_89935 (CHEMBL699561)	In vitro inhibition of Inosine-5'-monophosphate dehydrogenase 2.
50012465	2	ChEMBL_88707 (CHEMBL873223)	The compound was tested for it's in vitro inhibitor potency against inosine monophosphate dehydrogenase II (IMPDH II)
50012466	3	ChEMBL_31982 (CHEMBL640535)	Receptor binding affinity for the adenosine A2A receptor were determined using [3H]ZM-241385 as a radioligand in pig
50012466	5	ChEMBL_30140 (CHEMBL640587)	Receptor binding affinity for the adenosine A2A receptor was determined using [3H]ZM-241385 as a radioligand in rat
50012466	6	ChEMBL_32127 (CHEMBL643707)	Binding affinity for Adenosine A2A receptor using [3H]ZM-24138 in rat
50012466	4	ChEMBL_30283 (CHEMBL642078)	Binding affinity for Adenosine A2A receptor
50012466	1	ChEMBL_27913 (CHEMBL642321)	Binding affinity for adenosine (ADO) A1 receptor in CHO cells
50012470	7	ChEMBL_38918 (CHEMBL652020)	In vitro agonist activity measured by increase in cAMP levels in chinese hamster ovary cells (CHO) cells expressing human Beta-3 adrenergic receptor
50012470	6	ChEMBL_38917 (CHEMBL875932)	In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-3 Adrenoceptor was determined
50039554	4	ChEMBL_809982 (CHEMBL2015091)	Inhibition of BACE1 in HEK293 cells expressing APP swedish and london mutant assessed as decrease of amyloid-beta40 level after 4 hrs by electrochemiluminescence-based sandwich ELISA
50012470	2	ChEMBL_37662 (CHEMBL651255)	Compound was tested for the antagonistic activity against Beta-1 adrenergic receptor
50012470	1	ChEMBL_37253 (CHEMBL651574)	In vitro agonist activity by increase in cAMP levels in chinese hamster ovary cells (CHO) cells stimulated by human Beta-1 Adrenoceptor was determined
50039554	2	ChEMBL_809981 (CHEMBL2015090)	Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FRET analysis
50012471	6	ChEMBL_38790 (CHEMBL883254)	Beta-3 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta-3-adrenoceptor
50012471	5	ChEMBL_37667 (CHEMBL651260)	Binding affinity of compound against Beta-1 adrenergic receptor was determined
50012472	9	ChEMBL_46673 (CHEMBL876965)	Inhibitory concentration against caspase-3
50012472	4	ChEMBL_46519 (CHEMBL659313)	Inhibition of caspase-1
50012472	3	ChEMBL_46700 (CHEMBL658656)	Inhibitory concentration of compound required against Caspase-6 compared to acylated dipeptides
50012472	5	ChEMBL_46846 (CHEMBL657313)	Inhibitory concentration of compound required against Caspase-7 compared to acylated dipeptides
50012472	2	ChEMBL_46861 (CHEMBL659709)	Inhibitory concentration of compound required against Caspase-8 compared to acylated dipeptides
50012473	3	ChEMBL_46847 (CHEMBL657314)	Inhibition of Caspase-7 enzyme
50012473	5	ChEMBL_46701 (CHEMBL658657)	Inhibitory concentration of compound required against Caspase-6 enzyme compared to acylated dipeptides
50012473	1	ChEMBL_46862 (CHEMBL659710)	Inhibition of Caspase-8 enzyme
50012473	11	ChEMBL_46521 (CHEMBL659315)	Inhibition of Caspase-1 enzyme
50012473	7	ChEMBL_46699 (CHEMBL876967)	Inhibition of Caspase-6
50012473	2	ChEMBL_46863 (CHEMBL659711)	Inhibitory concentration of compound required against Caspase-8 enzyme compared to acylated dipeptides
50012473	10	ChEMBL_46522 (CHEMBL659316)	Inhibitory concentration of compound required against Caspase-1 enzyme compared to acylated dipeptides
50012473	8	ChEMBL_46674 (CHEMBL658632)	Inhibition of Caspase-3
50012473	9	ChEMBL_46676 (CHEMBL658634)	Inhibitory concentration of compound required against Caspase-3 enzyme compared to acylated dipeptides
50012473	4	ChEMBL_46848 (CHEMBL657315)	Inhibitory concentration of compound required against Caspase-7 enzyme compared to acylated dipeptides
50012473	6	ChEMBL_46523 (CHEMBL659317)	Inhibitory concentration of compound required against Caspase-1 enzyme compared to acylated dipeptides
50012476	2	ChEMBL_48502 (CHEMBL660651)	Affinity for human Cathepsin L
50012476	4	ChEMBL_47424 (CHEMBL662611)	Affinity for human Cathepsin B
50012477	1	ChEMBL_39512 (CHEMBL654809)	Displacement of [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes
50012477	2	ChEMBL_39513 (CHEMBL654810)	Displacement of [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes.
50012481	2	ChEMBL_104237 (CHEMBL712743)	Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation
50012481	18	ChEMBL_104268 (CHEMBL711705)	Evaluated for binding affinity against rat Melanocortin-5 receptor (rMC5R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50012481	17	ChEMBL_104237 (CHEMBL712743)	Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation
50039562	3	ChEMBL_810759 (CHEMBL2015992)	Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRbeta by scintillation proximity assay
50012481	1	ChEMBL_104259 (CHEMBL711696)	Functional activity as concentration of the compound at 50% maximum cAMP accumulation in rat Melanocortin-4 receptor (rMC4R)
50012481	13	ChEMBL_106649 (CHEMBL715686)	Evaluated for binding affinity against human melanocortin 5 (hMC5R) receptor by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50012481	16	ChEMBL_220879 (CHEMBL824635)	Evaluated for binding affinity against human melanocortin 1 (hMC1R) receptor by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells
50039577	1	ChEMBL_813545 (CHEMBL2019654)	Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluorescence polarization assay
50039577	37	ChEMBL_813555 (CHEMBL2019664)	Inhibition of CAMK2A
50039577	38	ChEMBL_813546 (CHEMBL2019655)	Inhibition of ketokinase isoform C in human HepG2 cells assessed as levels of fructose-1-phosphate preincubated for 30 mins followed by substrate addition measured after 3 hrs by LC-MS analysis
50039577	39	ChEMBL_813557 (CHEMBL2019666)	Inhibition of CHK1
50039577	36	ChEMBL_813556 (CHEMBL2019665)	Inhibition of CDK1/cyclin B
50039578	17	ChEMBL_813702 (CHEMBL2019904)	Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 100 uM ATP by DELFIA assay
50039578	22	ChEMBL_813703 (CHEMBL2019905)	Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measured after 27 mins by ELISA
50039578	10	ChEMBL_813719 (CHEMBL2019921)	Inhibition of CYP3A4 in human liver microsomes co-incubated with testosterone
50039578	23	ChEMBL_813722 (CHEMBL2019924)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 30 mins prior to substrate addition
50039578	24	ChEMBL_813724 (CHEMBL2019982)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 30 mins prior to substrate addition
50039578	25	ChEMBL_813707 (CHEMBL2019909)	Inhibition of human CHK1
50039597	5	ChEMBL_813196 (CHEMBL2020862)	Inhibition of human recombinant PDE5 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay
50039637	5	ChEMBL_814387 (CHEMBL2019711)	Inhibition of human PDE5A1 catalytic domain (535 to 860) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting
50039650	7	ChEMBL_816187 (CHEMBL2026571)	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50039650	3	ChEMBL_816180 (CHEMBL2026564)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting
50039650	8	ChEMBL_816184 (CHEMBL2026568)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50039650	5	ChEMBL_816193 (CHEMBL2026577)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as calcium mobilization after 1 hrs by fluorescence analysis
50039652	2	ChEMBL_816379 (CHEMBL2024777)	Inhibition of Aurora B using 1 mM ATP by HTRF assay
50039652	7	ChEMBL_816380 (CHEMBL2024778)	Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells
50039652	25	ChEMBL_816378 (CHEMBL2024776)	Inhibition of KDR using 1 mM ATP by HTRF assay
50039652	26	ChEMBL_816428 (CHEMBL2024915)	Inhibition of Aurora B by TR-FRET assay
50039652	23	ChEMBL_816427 (CHEMBL2024914)	Inhibition of KDR by TR-FRET assay
50039652	3	ChEMBL_816384 (CHEMBL2024782)	Inhibition of CYP3A4
50039668	9	ChEMBL_815111 (CHEMBL2024836)	Inhibition of aurora B kinase in human HCT116 cells assessed as inhibition of histone H3 phosphorylation incubated for 1 hr by Hoechst 33342 staining based microscopic analysis
50039668	2	ChEMBL_815110 (CHEMBL2024835)	Inhibition of aurora B kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay
50039668	10	ChEMBL_815114 (CHEMBL2024839)	Inhibition of Chk1
50039668	11	ChEMBL_815109 (CHEMBL2024834)	Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay
50039695	8	ChEMBL_815593 (CHEMBL2025259)	Inhibition of Aurora B
50039695	1	ChEMBL_815463 (CHEMBL2027231)	Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis
50039695	4	ChEMBL_815467 (CHEMBL2027235)	Inhibition of AXL in human PSN1 cells assessed as decrease in GAS6-induced phospho-AXL level after 2 hrs by EILSA
50039728	33	ChEMBL_817981 (CHEMBL2033407)	Inhibition of Aurora B in human HEK293 cells after 1 hr by competition binding assay
50039742	41	ChEMBL_818818 (CHEMBL2033604)	Binding affinity to human recombinant alpha2B adrenergic receptor
50039742	42	ChEMBL_818821 (CHEMBL2033607)	Binding affinity to human recombinant beta2 adrenergic receptor
50039744	31	ChEMBL_819210 (CHEMBL2032479)	Inhibition of CDK5/p25
50039744	1	ChEMBL_819184 (CHEMBL2034704)	Inhibition of c-Met by HTRF assay
50039744	32	ChEMBL_819197 (CHEMBL2032466)	Inhibition of aurora-2
50039744	33	ChEMBL_819185 (CHEMBL2032454)	Inhibition of VEGFR2 by HTRF assay
50039744	34	ChEMBL_819187 (CHEMBL2032456)	Inhibition of IGF1R by HTRF assay
50039744	35	ChEMBL_819189 (CHEMBL2032458)	Inhibition of HGF-mediated c-Met autophosphorylation in human PC3 cells after 10 mins by quantitative electrochemiluminescent immunoassay
50039744	36	ChEMBL_819190 (CHEMBL2032459)	Inhibition of RON by HTRF assay
50039773	4	ChEMBL_819409 (CHEMBL2033076)	Inhibition of BACE1
50039773	3	ChEMBL_819414 (CHEMBL2033081)	Inhibition of BACE1 in human HEK293 cells stably expressing APP
50039790	4	ChEMBL_820049 (CHEMBL2032822)	Inhibition of aurora B kinase
50039790	5	ChEMBL_820050 (CHEMBL2032823)	Inhibition of CDK1
50012488	2	ChEMBL_52891 (CHEMBL872485)	Inhibition of human dihydroorotate dehydrogenase (DHODase)
50012488	1	ChEMBL_52885 (CHEMBL665409)	Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori
50012491	1	ChEMBL_124317 (CHEMBL732625)	Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK)
50012493	2	ChEMBL_142619 (CHEMBL751157)	In vitro binding affinity in LLC-PK1 cells by Norepinephrine transporter binding assay by using [125I]-IPT as a radioligand
50012493	3	ChEMBL_198051 (CHEMBL805178)	In vitro binding affinity in LLC-PK1 cells by SERT binding assay by using [125I]IDAM as a radioligand
50012493	7	ChEMBL_62625 (CHEMBL678247)	In vitro binding affinity in LLC-PK1 cells by Dopamine transporter binding assay by using [125I]IPT as a radioligand
50012493	4	ChEMBL_198052 (CHEMBL805179)	Inhibition of 5-HT reuptake (SERT) in rat brain synaptosomes.
50012493	6	ChEMBL_142620 (CHEMBL751158)	Selectivity for norepinephrine transporter
50012494	9	ChEMBL_3474 (CHEMBL618890)	The binding affinity towards 5-hydroxytryptamine 3 receptor; No affinity
50012494	7	ChEMBL_3604 (CHEMBL872926)	The binding affinity towards 5-hydroxytryptamine 5A receptor; No affinity
50012494	6	ChEMBL_3792 (CHEMBL619867)	The binding affinity towards 5-hydroxytryptamine 7 receptor; No affinity
50012494	5	ChEMBL_1731 (CHEMBL616936)	The binding affinity towards the 5-hydroxytryptamine 1D receptor; No affinity
50012494	18	ChEMBL_32305 (CHEMBL646251)	The binding affinity towards the Alpha-1B adrenergic receptor; No affinity
50012494	1	ChEMBL_34185 (CHEMBL649045)	The binding affinity towards the Alpha-1A adrenergic receptor; No affinity
50012494	10	ChEMBL_3677 (CHEMBL620812)	The binding affinity towards 5-hydroxytryptamine 6 receptor; No affinity
50012494	4	ChEMBL_3058 (CHEMBL620676)	The binding affinity towards 5-hydroxytryptamine 2C receptor; No affinity
50012494	16	ChEMBL_33230 (CHEMBL645790)	The binding affinity towards Alpha-2A adrenergic receptor; No affinity
50039796	16	ChEMBL_820273 (CHEMBL2033360)	Inhibition of alpha2B adrenergic receptor
50039813	6	ChEMBL_820799 (CHEMBL2038357)	Inhibition of recombinant His-tagged CHK1 using biotin-RSGLYRSPSMPENLNRPR as substrate after 1 hr by scintillation proximity assay
50012494	14	ChEMBL_1805 (CHEMBL616778)	The binding affinity towards the receptor rat 5-hydroxytryptamine 1B receptor; No affinity
50039813	5	ChEMBL_820797 (CHEMBL2038355)	Binding affinity to CHK1 by affinity-selection-mass spectrophotometry assay
50039813	2	ChEMBL_820801 (CHEMBL2038506)	Inhibition of CHK1 in human U2OS cells pretreated with hydroxyurea assessed as gamma-H2AX level after 2 hrs by immunofluorescence assay
50039813	4	ChEMBL_820803 (CHEMBL2038508)	Inhibition of Cyclin E/CDK2 expressed in Sf9 cells using [33gamma]ATP after 1 hr by liquid scintillation counter
50012494	2	ChEMBL_33676 (CHEMBL646817)	The binding affinity towards the Alpha-2C adrenergic receptor; No affinity
50012494	12	ChEMBL_2473 (CHEMBL875913)	The binding affinity towards 5-hydroxytryptamine 2A receptor; No affinity
50012494	17	ChEMBL_138343 (CHEMBL747773)	The binding affinity towards muscarinic receptor; No affinity
50012494	13	ChEMBL_37685 (CHEMBL647768)	The binding affinity towards the Beta-1 adrenergic receptor; No affinity
50039813	3	ChEMBL_820802 (CHEMBL2038507)	Competitive inhibition of CHK1 using ATP
50039842	4	ChEMBL_821087 (CHEMBL2039490)	Inhibition of human PKC alpha assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting
50039854	6	ChEMBL_822163 (CHEMBL2038023)	Inhibition of recombinant Aurora B using tetra(LRRWSLG) as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
50039866	4	ChEMBL_822740 (CHEMBL2040057)	Inhibition of pig kidney APN using L-Leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by UV/VIS spectrophotometry
50039876	5	ChEMBL_824954 (CHEMBL2045473)	Inhibition of human recombinant CDK5/p25
50039876	6	ChEMBL_825078 (CHEMBL2045872)	Inhibition of human Chk1
50039894	16	ChEMBL_824216 (CHEMBL2044151)	Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method
50039894	17	ChEMBL_824217 (CHEMBL2044152)	Inhibition of Plk1 using 5-FAMRRRAGALMDASFEEQ- CONH2 as substrate after 75 mins by caliper method
50012500	2	ChEMBL_211653 (CHEMBL815201)	Inhibition of tubulin polymerization at concentration 10 uM
50039894	18	ChEMBL_824228 (CHEMBL2044163)	Inhibition of PKD2 incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039919	2	ChEMBL_826665 (CHEMBL2051009)	Inhibition of human recombinant BACE1 using 7-methoxycoumarin-4-yl)acetyl-Ser-Glu-Val-Asn-Leu*Asp-Ala- Glu-Phe-Arg-Lys(2,4-dinitrophenyl)-Arg-Arg-NH2 as substrate by FRET assay
50012501	1	ChEMBL_36921 (CHEMBL876759)	In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5
50012505	1	ChEBML_65490	Inhibitory activity against I-labeled ET-1 binding to Endothelin A receptor
50012505	2	ChEBML_63696	Inhibitory activity against I-labeled ET-1 binding to Endothelin B receptor
50012506	1	ChEBML_162441	Dissociation constant towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate
50012506	2	ChEBML_198759	Dissociation constant towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate
50012506	3	ChEMBL_198757 (CHEMBL801963)	Dissociation constant towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate
50012508	7	ChEMBL_87253 (CHEMBL699243)	Binding affinity towards rats Histamine type 3 (H3) receptor
50012508	8	ChEMBL_86754 (CHEMBL693564)	Binding affinity against rat histamine H3 receptor
50012508	9	ChEMBL_85524 (CHEMBL697135)	Binding affinity to the human Histamine H2 receptor
50012509	1	ChEBML_64356	In vitro inhibition of Endothelin-converting enzyme 1.
50039929	12	ChEMBL_827030 (CHEMBL2050094)	Inhibition of human recombinant aggrecanase 1 using aggrecan-IGD as substrate measured after 15 mins by ELISA
50039933	6	ChEMBL_826120 (CHEMBL2049561)	Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis
50039933	3	ChEMBL_826122 (CHEMBL2049563)	Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay
50012514	10	ChEMBL_214534 (CHEMBL819371)	Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK293 cells
50012514	2	ChEBML_44698	Inhibition of cytochrome P450 2C9
50012515	1	ChEBML_31885	Inhibition of recombinant human adenylate cyclase 5 expressed in HEK293 cells
50039933	5	ChEMBL_826174 (CHEMBL2049615)	Inhibition of human BACE-1 mediated amyloid beta 40 release in human HEK293 cells
50012516	1	ChEMBL_213257 (CHEMBL821465)	Inhibitory concentration against type V Adenyl Cyclase enzyme
50012516	2	ChEBML_213257	Inhibitory concentration against type V Adenyl Cyclase enzyme
50012517	1	ChEBML_2454	Affinity for 5-hydroxytryptamine 2A receptor
50012517	2	ChEBML_3045	Affinity for 5-hydroxytryptamine 2C receptor
50012519	10	ChEMBL_62962 (CHEMBL872891)	Binding affinity towards human dopamine D2 receptor, using [3H]YM-09151 as a radioligand
50012519	7	ChEMBL_58962 (CHEMBL669519)	Binding affinity towards human Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand
50012519	9	ChEMBL_62963 (CHEMBL677454)	Dopamine D2 receptor functional activity was assessed via inhibition of forskolin stimulated cAMP production from Whole cells
50012519	2	ChEMBL_60214 (CHEMBL672176)	Binding affinity toward Dopamine receptor D2 was determined via standard competitive displacement assay using [3H]-YM 09151 as the competitive ligand
50039938	3	ChEMBL_826226 (CHEMBL2049237)	Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzATP challenge measured after 30 mins by ELISA
50039938	1	ChEMBL_826224 (CHEMBL2049235)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by fluorescence analysis
50012519	5	ChEMBL_58963 (CHEMBL669520)	Dopamine Receptor D4 functional activity was assessed via inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.
50039939	3	ChEMBL_826232 (CHEMBL2049243)	Inhibition of human dUTPase using [5-3H]dUTP as substrate after 15 mins by HPLC analysis
50039939	2	ChEMBL_826234 (CHEMBL2049245)	Inhibition of human dUTPase
50039944	7	ChEMBL_827236 (CHEMBL2050635)	Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting
50039944	2	ChEMBL_827244 (CHEMBL2050643)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins by scintillation counting
50012520	8	ChEBML_62961	Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand
50012520	7	ChEBML_62964	Binding affinity towards Dopamine type 4 receptor was determined by competitive displacement assays using [3H]-YM 09151 as the competitive ligand
50012520	1	ChEBML_202299	Compound was evaluated for its inhibitory activity against the Serotonin transporter
50012520	5	ChEMBL_60683 (CHEMBL675945)	Binding affinity towards Dopamine receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive ligand
50039944	8	ChEMBL_827233 (CHEMBL2050632)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50012520	4	ChEMBL_58961 (CHEMBL669518)	Binding affinity towards Dopamine Receptor D4 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive ligand
50039944	1	ChEMBL_827246 (CHEMBL2050645)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillation counting
50012520	3	ChEMBL_60216 (CHEMBL672178)	Binding affinity towards Dopamine receptor D2 was determined via standard competitive displacement assays using [3H]-YM 09151 as the competitive ligand
50012520	2	ChEBML_145063	Compound was evaluated for its inhibitory activity against the Opioid receptor delta 1
50039944	3	ChEMBL_827242 (CHEMBL2050641)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillation counting
50012522	1	ChEBML_88592	Inhibition of Inosine Monophosphate Dehydrogenase II (IMPDH II)
50039944	9	ChEMBL_827234 (CHEMBL2050633)	Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50039945	38	ChEMBL_826390 (CHEMBL2049401)	Inhibition of N-terminal 6xHis tagged Aurora B kinase expressed using baculovirus expression system using [gamma-33P]ATP
50039945	39	ChEMBL_827261 (CHEMBL2050660)	Inhibition of Lyn B using ATP preincubated with compound for 5 mins measured after 10 mins
50039956	5	ChEMBL_828458 (CHEMBL2049895)	Inhibition of Aur B
50039972	3	ChEMBL_827643 (CHEMBL2050682)	Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) cells using Swedish mutant sequence Eu-EVNLDAEFK-quencher at 10 uM after 60 mins by TRF assay
50039972	2	ChEMBL_827645 (CHEMBL2050684)	Inhibition of BACE1 expressed in human HEK293 cells expressing Swedish mutant APP assessed as reduction on amyloid beta (1 to 40) production after 24 hrs by ELISA
50039975	4	ChEMBL_827689 (CHEMBL2050827)	Inhibition of BACE1
50039981	2	ChEMBL_827983 (CHEMBL2051638)	Inhibition of human recombinant BACE1 by FRET assay
50012525	1	ChEBML_145959	Binding affinity for Opioid receptor kappa 1 was determined.
50039986	1	ChEMBL_828096 (CHEMBL2049835)	Inhibition of PKCtheta
50039986	25	ChEMBL_828100 (CHEMBL2049839)	Inhibition of PKCalpha
50012525	4	ChEMBL_149317 (CHEMBL757312)	Binding affinity for Opioid receptor mu 1
50012526	6	ChEBML_39041	Binding affinity for retinoic acid receptor RAR beta
50012526	9	ChEMBL_39042 (CHEMBL652856)	Effective concentration for retinoic acid receptor RAR beta transcriptional activation
50039986	26	ChEMBL_828099 (CHEMBL2049838)	Inhibition of PKCdelta
50040011	5	ChEMBL_828758 (CHEMBL2060408)	Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter
50040033	2	ChEMBL_828843 (CHEMBL2060493)	Inhibition of human dUTPase assessed as production of [5-3H]dUMP from [5-3H]dUTP after 15 mins measured by HPLC analysis
50012528	1	ChEBML_96910	50% inhibition of the phosphorylation of an exogenous substrate by human Lck enzyme.
50040035	2	ChEMBL_829012 (CHEMBL2060662)	Inhibition of human BACE1 using BACE1-IgG construct by labeled substrate hydrolysis detection assay
50040064	3	ChEMBL_830169 (CHEMBL2061979)	Inhibition of BACE1 by FRET assay
50040072	9	ChEMBL_830840 (CHEMBL2065346)	Inhibition of CDC2
50040080	2	ChEMBL_830767 (CHEMBL2065182)	Inhibition of CAMK2 using autocamtide-2 as substrate after 30 mins by PKLight assay
50040093	8	ChEMBL_833720 (CHEMBL2066819)	Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins
50040093	9	ChEMBL_833721 (CHEMBL2066820)	Inhibition of human recombinant GSK3alpha
50040093	10	ChEMBL_833715 (CHEMBL2066814)	Inhibition of human recombinant PKCalpha by FRET assay
50040093	11	ChEMBL_833717 (CHEMBL2066816)	Inhibition of human recombinant CK1epsilon by FRET assay
50040093	12	ChEMBL_833716 (CHEMBL2066815)	Inhibition of human recombinant AurKA by FRET assay
50040093	7	ChEMBL_833719 (CHEMBL2066818)	Inhibition of human recombinant CDK5/p35 by FRET assay
50040096	7	ChEMBL_833205 (CHEMBL2067496)	Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting
50040107	24	ChEMBL_831558 (CHEMBL2064921)	Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP
50040107	25	ChEMBL_831565 (CHEMBL2064928)	Inhibition of Chk1 in presence of 10 uM ATP
50040107	23	ChEMBL_831578 (CHEMBL2064941)	Inhibition of Plk4 in presence of 10 uM ATP
50040107	21	ChEMBL_831562 (CHEMBL2064925)	Inhibition of Aurora B kinase in presence of 10 uM ATP
50040107	22	ChEMBL_831561 (CHEMBL2064924)	Inhibition of Aurora A kinase in presence of 10 uM ATP
50040126	2	ChEMBL_832388 (CHEMBL2067011)	Inhibition of recombinant beta-secretase 1
50040132	10	ChEMBL_833910 (CHEMBL2072490)	Antagonist activity at human SST3 receptor expressed in CHO cells assessed as inhibition of forskolin/SS-14-stimulated cAMP accumulation preincubated for 15 mins before SS-14 challenge measured after 1 hr by time-resolved fluorescence analysis
50040132	16	ChEMBL_833911 (CHEMBL2072491)	Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 mins by scintillation counting
50040132	17	ChEMBL_833917 (CHEMBL2072497)	Antagonist activity at mouse SST3 receptor expressed in CHO cells assessed as inhibition of forskolin/SS-14-stimulated cAMP accumulation preincubated for 15 mins before SS-14 challenge measured after 1 hr by time-resolved fluorescence analysis
50012530	1	ChEBML_209038	Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 2 in CHO cells by using [3H]NKA as the radioligand.
50012530	2	ChEBML_205875	Binding affinity in membrane preparations containing recombinant human Tachykinin receptor 1 in CHO cells by using [3H]-Sar SP as the radioligand.
50040132	18	ChEMBL_833940 (CHEMBL2072626)	Binding affinity to human SST3 receptor
50040132	4	ChEMBL_833916 (CHEMBL2072496)	Displacement of [125I]SS-14 from mouse SST3 receptor expressed in CHO cells after 60 mins by scintillation counting
50040132	15	ChEMBL_833945 (CHEMBL2072631)	Antagonist activity at human SST3 receptor
50040132	9	ChEMBL_833909 (CHEMBL2072489)	Displacement of [125I]SS-14 from human SST3 receptor expressed in CHO cells after 60 mins by scintillation counting
50040141	6	ChEMBL_834298 (CHEMBL2073118)	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor expressed in BHK570 cells after 1 hr in presence of ovalbumin
50012534	2	ChEBML_29727	Equilibrium dissociation constant for [3H]DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes
50040141	5	ChEMBL_834300 (CHEMBL2073120)	Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma counting in presence of ovalbumin
50012535	2	ChEBML_212345	Concentration required to inhibit Trypsin was determined
50012535	6	ChEMBL_222790 (CHEMBL847118)	Concentration required to inhibit tissue-type plasminogen activator (t-PA) was determined
50012535	7	ChEBML_155061	Concentration required to inhibit Plasmin was determined
50012535	5	ChEBML_208236	Concentration required to inhibit Tissue-type plasminogen activator (t-PA) was determined
50012535	8	ChEBML_48622	Concentration required to inhibit Coagulation factor X was determined
50040141	7	ChEMBL_834299 (CHEMBL2073119)	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin
50012535	1	ChEMBL_208530 (CHEMBL813624)	Inhibitory constant of thrombin catalytic activity was determined
50040141	8	ChEMBL_834301 (CHEMBL2073121)	Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human serum albumin
50040141	9	ChEMBL_834297 (CHEMBL2073117)	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin
50040152	14	ChEMBL_835007 (CHEMBL2073499)	Inhibition of Aurora B kinase by HTRF analysis in presence of 1 mM ATP
50040152	15	ChEMBL_835008 (CHEMBL2073500)	Inhibition of human KDR autophosphorylation expressed in mouse NIH/3T3 cells
50012539	5	ChEBML_63797	Inhibitory concentration against Human leukocyte Elastase
50012539	2	ChEMBL_197808 (CHEMBL802338)	Inhibitory concentration against Human pancreatic Serine protease chymotrypsin
50040152	2	ChEMBL_835006 (CHEMBL2073498)	Inhibition of KDR by HTRF analysis in presence of 1 mM ATP
50012539	1	ChEBML_197808	Inhibitory concentration against Human pancreatic Serine protease chymotrypsin
50012540	1	ChEBML_49844	Inhibitory activity against human CCR5 chemokine receptor (CCR5) expressed in CHO cells
50040174	15	ChEMBL_834240 (CHEMBL2073007)	Inhibition of DNA-PK
50040194	2	ChEMBL_835705 (CHEMBL2071816)	Antagonist activity at LXRbeta ligand binding domain expressed in HEK293 cells coexpressing GAL4 assessed as decrease in [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide-induced activity after 20 hrs by luciferase reporter gene assay
50040194	3	ChEMBL_835704 (CHEMBL2071815)	Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from GST-tagged LXRbeta ligand binding domain after 1 hr by scintillation proximity assay
50012543	1	ChEBML_37065	Binding affinity against rat benzodiazepine (BZD) receptor
50012547	1	ChEMBL_3343 (CHEMBL619043)	Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum membrane
50012549	1	ChEMBL_146681 (CHEMBL753172)	Inhibition of [3H]U-69593 binding towards Opioid receptor kappa 1 in guinea pig brain homogenates.
50040243	4	ChEMBL_847916 (CHEMBL2150115)	Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T/C after 24 hrs by crystal violet staining
50040243	3	ChEMBL_847915 (CHEMBL2150114)	Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis
50040243	2	ChEMBL_847917 (CHEMBL2150116)	Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells after 72 hrs by crystal violet staining
50040246	8	ChEMBL_848573 (CHEMBL2148237)	Inhibition of [3H]PDBu binding to PKCalpha C1A domain
50040246	9	ChEMBL_848578 (CHEMBL2148242)	Inhibition of [3H]PDBu binding to PKCeta C1B domain
50040248	1	ChEMBL_848933 (CHEMBL2149727)	Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis
50040248	4	ChEMBL_848934 (CHEMBL2149728)	Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to 120 mins
50040248	3	ChEMBL_848935 (CHEMBL2149729)	Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence analysis
50040248	7	ChEMBL_849052 (CHEMBL2150313)	Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence assay
50040248	2	ChEMBL_848932 (CHEMBL2149726)	Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluorescence assay
50012567	1	ChEBML_89487	In vitro binding affinity against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]ghrelin as radioligand.
50040250	15	ChEMBL_849443 (CHEMBL2149444)	Inhibition of CYP2A6
50040261	5	ChEMBL_847953 (CHEMBL2150253)	Inhibition of LYN B after 5 mins
50012570	5	ChEMBL_214771 (CHEMBL816229)	Displacement of vitronectin from human integrin alphaV-beta5
50012570	7	ChEMBL_218208 (CHEMBL824556)	Displacement of fibrinogen from Human integrin alphaIIb-beta3
50012570	8	ChEMBL_214634 (CHEMBL819714)	Displacement of vitronectin from Human integrin alphaV-beta3
50012570	6	ChEMBL_218209 (CHEMBL824557)	Displacement of fibrinogen from Human integrin alphaIIb-beta3
50012573	1	ChEBML_89933	Inhibitory concentration against Inosine-5'-monophosphate dehydrogenase 2 was determined
50040261	38	ChEMBL_850421 (CHEMBL2150608)	Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation counter
50012574	3	ChEMBL_86760 (CHEMBL698660)	Compound was tested for its binding affinity for rat histamine H3 receptor
50040261	39	ChEMBL_850434 (CHEMBL2150621)	Inhibition of N-terminal His6-tagged Aurora B expressed in baculovirus after 5 mins by scintillation counter
50040261	40	ChEMBL_850422 (CHEMBL2150609)	Inhibition of human N-terminal DYKDDDD tagged EGFR cytoplasmic domain amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation counter
50040267	5	ChEMBL_848195 (CHEMBL2148931)	Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min
50012575	2	ChEBML_159769	In vitro inhibitory potency against Prostaglandin G/H synthase 2 in human whole blood assay
50040267	3	ChEMBL_848193 (CHEMBL2148929)	Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs
50040267	4	ChEMBL_848194 (CHEMBL2148930)	Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in presence of EGTA
50040267	2	ChEMBL_848197 (CHEMBL2148933)	Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min
50040284	9	ChEMBL_849742 (CHEMBL2150524)	Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50040284	10	ChEMBL_849604 (CHEMBL2150055)	Inhibition of recombinant human PKCalpha assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50040334	3	ChEMBL_853104 (CHEMBL2154572)	Inhibition of BACE
50040334	2	ChEMBL_853105 (CHEMBL2154573)	Inhibition of BACE by cells based assay
50012580	5	ChEMBL_89198 (CHEMBL701149)	Inhibitory concentration against Inducible nitric oxide synthase (iNOS)
50012580	4	ChEBML_65294	Inhibitory activity against Endothelial nitric oxide synthase
50012580	6	ChEMBL_143346 (CHEMBL751928)	Inhibitory concentration against Neuronal nitric oxide synthase
50012580	1	ChEBML_89198	Inhibitory concentration against Inducible nitric oxide synthase (iNOS)
50048537	1	ChEMBL_34624 (CHEMBL643905)	Binding affinity towards Alpha-1B adrenergic receptor
50023900	1	ChEMBL_484471 (CHEMBL1010474)	Inhibition of mushroom tyrosinase
50023905	7	ChEMBL_484490 (CHEMBL1014016)	Agonist activity at adenosine A1 receptor in rat cortical membrane by [35S]GTPgammaS binding assay
50023905	6	ChEMBL_484493 (CHEMBL1014019)	Antagonist activity at adenosine A1 receptor in rat cortical membrane assessed as reduction of [35S]GTPgammaS binding
50023905	5	ChEMBL_484484 (CHEMBL1013245)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane by liquid scintillation counting
50023905	2	ChEMBL_484488 (CHEMBL1014014)	Displacement [3H]DPCPX from of human adenosine A1 receptor at high affinity state expressed in CHO cells
50023905	1	ChEMBL_484489 (CHEMBL1014015)	Displacement [3H]DPCPX from of human adenosine A1 receptor at low affinity state expressed in CHO cells
50023905	4	ChEMBL_484486 (CHEMBL1014012)	Displacement of [3H]MSX-2 from A2A receptor in rat brain striatal membrane by liquid scintillation counting
50023905	3	ChEMBL_484487 (CHEMBL1014013)	Displacement [3H]DPCPX from of human adenosine A1 receptor expressed in CHO cells in presence of GTP
50012584	2	ChEMBL_106129 (CHEMBL718677)	Affinity towards Matrix metalloprotease-1 (MMP-1)
50012584	4	ChEMBL_104397 (CHEMBL715000)	Affinity for Matrix metalloprotease-2 (MMP-2)
50012584	10	ChEMBL_212588 (CHEMBL811890)	Affinity for Tumor necrosis factor alpha converting enzyme (TACE)
50040338	4	ChEMBL_853303 (CHEMBL2155063)	Inhibition of human recombinant BACE1 by FRET assay
50040338	2	ChEMBL_853304 (CHEMBL2155064)	Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production
50012584	5	ChEMBL_106792 (CHEMBL718398)	Affinity for Matrix metalloprotease-15 (MMP-15)
50012584	11	ChEMBL_105049 (CHEMBL711563)	Affinity for Matrix metalloprotease-7 (MMP-7)
50012584	8	ChEMBL_105075 (CHEMBL711320)	Affinity for Matrix metalloprotease-8 (MMP-8)
50012584	13	ChEMBL_106608 (CHEMBL717445)	Affinity for Matrix metalloprotease-13 (MMP-13)
50012584	1	ChEMBL_106796 (CHEMBL718402)	Affinity for Matrix metalloprotease-16 (MMP-16)
50012584	7	ChEMBL_104737 (CHEMBL710737)	Affinity for Matrix metalloprotease-3 (MMP-3)
50012586	1	ChEMBL_159659 (CHEMBL761787)	In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).
50040338	3	ChEMBL_853306 (CHEMBL2155066)	Inhibition of human recombinant BACE2 by FRET assay
50012586	2	ChEMBL_159661 (CHEMBL761789)	In vitro inhibitory activity towards human Poly (ADP-ribose) polymerase 1 (PARP-1)
50040359	2	ChEMBL_853645 (CHEMBL2154182)	Inhibition of BACE1 by FRET assay
50040360	3	ChEMBL_853647 (CHEMBL2154184)	Inhibition of BACE1 by secreted AAPbeta release assay
50040360	1	ChEMBL_853646 (CHEMBL2154183)	Inhibition of BACE1 by diluted TR-FRET assay
50012588	1	ChEMBL_213136 (CHEMBL817636)	Inhibitory activity against human Urokinase plasminogen activator receptor (uPAR) was determined
50012590	1	ChEMBL_30745 (CHEMBL649776)	Displacement of [3H]- CGS-21680 from Adenosine A2a receptor in bovine striatal membranes.
50012590	3	ChEMBL_31250 (CHEMBL642374)	Displacement of [125I]AB-MECA from Adenosine A3 receptor in bovine cortical membranes in the presence of 20 nM DPCPX.
50012590	2	ChEMBL_29129 (CHEMBL642433)	Displacement of [3H]CHA from Adenosine A1 receptor in bovine cortical membranes.
50012592	4	ChEMBL_68400 (CHEMBL678889)	Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2
50012592	2	ChEMBL_219118 (CHEMBL823141)	Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1
50012592	3	ChEMBL_68414 (CHEMBL680330)	Effective concentration against Gamma-aminobutyric acid A receptor, alpha 5
50012592	1	ChEMBL_68405 (CHEMBL678894)	Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3
50040362	1	ChEMBL_853649 (CHEMBL2154186)	Inhibition of BACE1 by FRET assay
50040363	3	ChEMBL_853652 (CHEMBL2154189)	Inhibition of BACE by secreted APPbeta release assay
50040363	1	ChEMBL_853651 (CHEMBL2154188)	Inhibition of BACE by TR-FRET assay
50040373	8	ChEMBL_850746 (CHEMBL2156015)	Inhibition of PKCeta by scintillation proximity assay
50040373	9	ChEMBL_850742 (CHEMBL2156011)	Inhibition of PKCalpha by scintillation proximity assay
50012595	1	ChEMBL_145551 (CHEMBL751015)	Binding affinity towards Opioid receptor kappa 1 by the displacement of [3H]U-69593 in mouse spinal cord
50012595	3	ChEMBL_148383 (CHEMBL757378)	Binding affinity towards Opioid receptor mu 1 by the displacement of [3H]DAMGO in mouse spinal cord
50012595	2	ChEMBL_145768 (CHEMBL752786)	Binding affinity towards Opioid receptor delta 1 by the displacement of [3H]deltorphin-II in mouse spinal cord
50012600	5	ChEMBL_60696 (CHEMBL676506)	In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes
50012600	4	ChEMBL_60835 (CHEMBL675978)	In vitro binding affinity at human cloned Dopamine receptor D4 expressed in Sf9 cell membranes
50012600	1	ChEMBL_2666 (CHEMBL617914)	In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane
50012600	7	ChEMBL_2663 (CHEMBL872923)	In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane
50012600	6	ChEMBL_61625 (CHEMBL673081)	In vitro binding affinity at human cloned Dopamine receptor D2L expressed in Sf9 cell membranes
50012600	2	ChEMBL_2667 (CHEMBL617915)	In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane
50012600	8	ChEMBL_2664 (CHEMBL617912)	In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical membrane
50040376	2	ChEMBL_851391 (CHEMBL2156324)	Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillation counting
50040376	10	ChEMBL_851384 (CHEMBL2156214)	Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting
50040376	11	ChEMBL_851383 (CHEMBL2156213)	Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting
50040376	9	ChEMBL_851398 (CHEMBL2156331)	Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay
50040376	1	ChEMBL_851389 (CHEMBL2156219)	Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillation counting
50040376	8	ChEMBL_851397 (CHEMBL2156330)	Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay
50040382	31	ChEMBL_852012 (CHEMBL2157137)	Inhibition of human PI3Kgamma expressed in C5a-stimulated mouse RAW 264.7 cells assessed as inhibition of AKT phosphorylation by ELISA
50040382	2	ChEMBL_852007 (CHEMBL2157132)	Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay
50040382	32	ChEMBL_850909 (CHEMBL2156892)	Inhibition of Aurora kinase B
50040382	33	ChEMBL_850928 (CHEMBL2156911)	Inhibition of CHK1
50012604	2	ChEMBL_157497 (CHEMBL765813)	The inhibitory activity against cyclooxygenase Prostaglandin G/H synthase 2 (COX-2) measured as PGE-2 production after blood coagulation using human Whole blood assay
50040382	11	ChEMBL_850906 (CHEMBL2156889)	Inhibition of human CYP3A4 using midazolam as substrate after 15 mins by LC/MS/MS analysis
50040382	30	ChEMBL_850912 (CHEMBL2156895)	Inhibition of CDK1/CyclinB
50040403	5	ChEMBL_856456 (CHEMBL2161188)	Displacement of [3H]DPDPE from delta-opioid receptor expressed in CHOK1 cells after overnight incubation by scintillation proximity assay
50040403	6	ChEMBL_856460 (CHEMBL2161363)	Agonist activity at mu-opioid receptor in human SH-SY5Y cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by immunoassay
50040403	1	ChEMBL_856455 (CHEMBL2161187)	Displacement of [3H]DAMGO from mu-opioid receptor expressed in CHOK1 cells after overnight incubation by scintillation proximity assay
50040405	10	ChEMBL_856832 (CHEMBL2163097)	Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay
50040405	6	ChEMBL_856837 (CHEMBL2163102)	Agonist activity at kappa opioid receptor guinea pig colon tissue
50040405	8	ChEMBL_856842 (CHEMBL2163107)	Binding affinity to human mu opioid receptor
50040409	20	ChEMBL_857259 (CHEMBL2160604)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50012610	1	ChEBML_96943	Inhibition of leukotriene A4 hydrolase in human recombinant assay
50012611	1	ChEBML_162265	The inhibitory activity tested against human Protein-tyrosine phosphatase 1B enzyme
50012614	4	ChEBML_48349	In vitro Inhibitory activity against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC
50012614	3	ChEBML_47407	In vitro Inhibitory activity against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC
50012614	1	ChEBML_48517	In vitro Inhibitory activity against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC
50012614	2	ChEBML_48689	In vitro Inhibitory activity against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC
50012615	3	ChEBML_48350	Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease
50012615	1	ChEBML_47408	Inhibitory activity of Cbz-Phe-Arg-AMC against Cathepsin B cysteine protease
50012615	4	ChEBML_48518	Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease
50012615	2	ChEBML_48690	In vitro Inhibitory activity against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC
50012616	3	ChEBML_72859	Binding affinity of first diastereomer (D1) against human glucagon receptor was determined
50040409	1	ChEMBL_857260 (CHEMBL2160605)	Displacement of [125I]glucagon from human GCGR expressed in CHO cells after 3 hrs by scintillation proximity assay
50040409	21	ChEMBL_854484 (CHEMBL2160806)	Binding affinity to human ERG
50040419	5	ChEMBL_855857 (CHEMBL2161501)	Inhibition of BACE1 in human HEK cells expressing APP Swedish mutant assessed as reduction in amyloid beta40 level by ELISA
50040419	2	ChEMBL_855856 (CHEMBL2161500)	Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) using Eu-EVNLDAEFK as substrate incubated for 30 mins prior to substrate addition measured after 60 mins by HTRF assay
50040425	4	ChEMBL_856078 (CHEMBL2162312)	Displacement of [3H]-U69593 from human recombinant delta-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay
50040425	5	ChEMBL_856076 (CHEMBL2162310)	Displacement of [3H]DAMGO from human recombinant mu-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay
50012624	1	ChEBML_71598	In vitro binding affinity to human gonadotropin-releasing hormone receptor
50012624	2	ChEBML_71749	Binding affinity to rat gonadotropin-releasing hormone receptor
50040433	9	ChEMBL_856497 (CHEMBL2161543)	Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay
50012627	1	ChEBML_140179	Binding affinity towards Muscarinic acetylcholine receptor M2
50040433	10	ChEMBL_856501 (CHEMBL2161547)	Inhibition of CDK2
50040433	11	ChEMBL_856500 (CHEMBL2161546)	Inhibition of CDK1
50012629	3	ChEMBL_159533 (CHEMBL767566)	Progesterone receptor antagonist activity based on its ability to block progesterone induced alkaline phosphatase in the human breast cancer cell line T47D
50012630	1	ChEBML_71590	Binding affinity towards human Gonadotropin-releasing hormone receptor
50012635	1	ChEMBL_51872 (CHEMBL666527)	In vitro inhibition of human Cyclophilin A/protein interaction.
50040435	4	ChEMBL_856677 (CHEMBL2162348)	Displacement of [3H]DPDPE from DOP receptor expressed in CHO-K1 cells after overnight incubation by beta counting method
50040435	5	ChEMBL_856678 (CHEMBL2162349)	Displacement of [3H]DAMGO from MOP receptor expressed in CHO-K1 cells after overnight incubation by beta counting method
50040455	4	ChEMBL_854822 (CHEMBL2162067)	Inhibition of beta-secretase using rhodamine-EVNLDAEFK-quencher as substrate after 60 mins by fluorescence resonance energy transfer assay
50040479	1	ChEMBL_859401 (CHEMBL2167307)	Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA
50040479	2	ChEMBL_859400 (CHEMBL2167306)	Binding affinity to Aurora kinase B catalytic domain by competition binding assay
50040479	7	ChEMBL_859399 (CHEMBL2167305)	Binding affinity to Aurora kinase A catalytic domain by competition binding assay
50040479	8	ChEMBL_859542 (CHEMBL2168171)	Inhibition of Aurora kinase B in human HCT116 cells assessed as induction of 8N polyploidy
50040479	6	ChEMBL_859557 (CHEMBL2168186)	Binding affinity to Aurora kinase C
50040479	4	ChEMBL_859403 (CHEMBL2167309)	Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay
50040485	12	ChEMBL_860321 (CHEMBL2169654)	Inhibition of DNA-PK after 30 mins by TR-FRET assay
50040494	1	ChEMBL_859062 (CHEMBL2169087)	Inhibition of dUTPase in human HeLa S3 cells assessed as potentiation of 1 uM FdUrd-induced decrease in cell density incubated for 48 hrs by crystal violet assay
50040494	3	ChEMBL_859059 (CHEMBL2169084)	Inhibition of human dUTPase assessed as reduction in [5-3H]dUMP production incubated for 15 mins by HPLC
50012638	1	ChEMBL_45618 (CHEMBL655429)	Inhibitory activity against Carboxypeptidase A
50012639	1	ChEMBL_211946 (CHEMBL816536)	Inhibitory activity against tripeptidyl peptidase II purified from rat liver
50012640	3	ChEMBL_48325 (CHEMBL663315)	Specificity of Cathepsin K inhibition by the compound
50012640	1	ChEMBL_47583 (CHEMBL657186)	Specificity of Cathepsin B inhibition by the compound
50040495	6	ChEMBL_859252 (CHEMBL2166337)	Displacement of [3H]DPDPE from Myc-tagged delta opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter
50012643	1	ChEMBL_65908 (CHEMBL679352)	Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce estradiol effect by 50%
50040495	1	ChEMBL_859256 (CHEMBL2166341)	Agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by liquid scintillation counter
50040495	7	ChEMBL_859251 (CHEMBL2166336)	Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter
50040534	7	ChEMBL_860057 (CHEMBL2167993)	Inhibition of ADAMTS-4 using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr
50040534	8	ChEMBL_860056 (CHEMBL2167992)	Inhibition of human ADAMTS-5 expressed in CHO cells using WAAG-3R as substrate preincubated for 15 mins measured after 1 hr by FRET assay
50040543	17	ChEMBL_858050 (CHEMBL2166962)	Inhibition of CDK1/Cyclin B
50040543	15	ChEMBL_858032 (CHEMBL2166768)	Inhibition of CDK5/p25
50040543	19	ChEMBL_858036 (CHEMBL2166772)	Inhibition of PKCalpha
50040543	18	ChEMBL_858049 (CHEMBL2166785)	Inhibition of CDK2/Cyclin E
50040543	16	ChEMBL_858044 (CHEMBL2166780)	Inhibition of CDK6/Cyclin D1
50040555	11	ChEMBL_861588 (CHEMBL2174529)	Antagonist activity at DOR
50040555	12	ChEMBL_861596 (CHEMBL2174537)	Inhibition of non-lysosomal glucosylceramidase
50040562	2	ChEMBL_862050 (CHEMBL2174079)	Inhibition of BACE in HEK293 cells by HPLC assay
50012664	1	ChEBML_46634	Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55940 from purified rat forebrain synaptosomes
50012664	2	ChEBML_46996	Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55940 from mouse spleen synaptosomes
50012667	1	ChEMBL_154177 (CHEMBL762381)	Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli
50012667	3	ChEMBL_154183 (CHEMBL761653)	Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli
50012667	2	ChEBML_154183	Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli
50012668	1	ChEBML_211809	Compound was tested for inhibition of trypanothione reductase from Trypanosoma cruzi
50012670	1	ChEBML_201797	Binding affinity of the radio labeled [3H]5-Methyl-6-nitroquipazine compound against Serotonin transporter in rat frontal cortex homogenates
50040586	1	ChEMBL_862854 (CHEMBL2172956)	Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation
50040586	25	ChEMBL_862847 (CHEMBL2172949)	Inhibition of Aurora B
50012672	2	ChEBML_53891	Inhibitory activity against Swine kidney diamine oxidase (SKDAO)
50040586	26	ChEMBL_862852 (CHEMBL2172954)	Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells after 2 hrs by Western blotting
50012672	4	ChEBML_123775	Inhibiting activity of the compound was determined against human Monoamine oxidase B
50012672	3	ChEBML_122777	Inhibiting activity of the compound was determined against bovine Monoamine oxidase A
50040589	3	ChEMBL_863937 (CHEMBL2176514)	Transactivational agonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by reporter gene assay
50012673	2	ChEBML_71600	In vitro binding affinity towards human gonadotropin-releasing hormone receptor
50012673	1	ChEBML_71752	In vitro binding affinity towards rat gonadotropin-releasing hormone receptor
50012673	4	ChEMBL_71868 (CHEMBL858403)	Binding affinity towards rat pituitary Gonadotropin-releasing hormone receptor
50023910	2	ChEMBL_484506 (CHEMBL1014032)	Inhibition of COX2 by scintillation proximity assay
50023911	1	ChEMBL_484514 (CHEMBL1014040)	Inhibition of xanthine oxidase-mediated formation of uric acid by spectrophotometry
50040589	5	ChEMBL_863932 (CHEMBL2176509)	Transactivational antagonist activity at human LXRbeta transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luciferase activity after 16 hrs by reporter gene assay
50023927	1	ChEMBL_509439 (CHEMBL1004770)	Inhibition of human DNA topoisomerase 2alpha
50023936	1	ChEMBL_509471 (CHEMBL1008107)	Inhibition of yeast aldehyde dehydrogenase by electrospray ionization-mass spectroscopy
50023937	1	ChEMBL_509473 (CHEMBL1008109)	Inhibition of human DNA topoisomerase 1
50023937	2	ChEMBL_509474 (CHEMBL1008110)	Inhibition of DNA topoisomerase 1
50012674	1	ChEMBL_139759 (CHEMBL748895)	Binding affinity for human Muscarinic acetylcholine receptor M2
50040603	3	ChEMBL_862182 (CHEMBL2174433)	Inhibition of porcine kidney microsome aminopeptidase using L-Leu-p-nitroanilide as substrate after 30 mins
50040603	2	ChEMBL_862181 (CHEMBL2174432)	Inhibition of porcine kidney microsome aminopeptidase using L-Leu-p-nitroanilide as substrate by Dixon method
50040620	7	ChEMBL_863802 (CHEMBL2175968)	Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter
50040626	3	ChEMBL_864590 (CHEMBL2176639)	Inhibition of human recombinant BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by HTRF assay
50040626	2	ChEMBL_864591 (CHEMBL2176640)	Inhibition of human BACE1 (43-454 amino acids) expressed in Escherichia coli BL21 using SEVNLDAEFRHDSGYEK-biotinafter 3 hrs by ELISA
50012680	2	ChEMBL_48674 (CHEMBL658345)	Equilibrium dissociation constant determined using fluorescence based competitive binding assay towards Cathepsin S
50012680	1	ChEMBL_48672 (CHEMBL658343)	Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus
50012681	6	ChEMBL_67518 (CHEMBL682301)	In vitro binding affinity towards human Estrogen receptor alpha using [3H]17-beta-estradiol as radioligand
50012681	3	ChEMBL_67203 (CHEMBL838887)	In vitro binding affinity towards human Estrogen receptor 2 using [3H]17-beta-estradiol as radioligand
50012681	1	ChEMBL_67194 (CHEMBL678129)	In vitro inhibition of 1 nM 17-beta-estradiol induced transcriptional activation in T47D cells expressing estrogen receptor beta
50040639	9	ChEMBL_862300 (CHEMBL2173156)	Inhibition of PI3Kdelta
50012681	5	ChEMBL_67355 (CHEMBL676810)	Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alpha
50012681	4	ChEMBL_67501 (CHEMBL679892)	In vitro inhibition of transcriptional activation induced by 1 nM 17-beta estradiol in T47D cells expressing estrogen receptor alpha
50040639	11	ChEMBL_862296 (CHEMBL2173152)	Inhibition of PI3Kalpha
50040639	13	ChEMBL_862301 (CHEMBL2173157)	Inhibition of PI3Kbeta
50040639	10	ChEMBL_862299 (CHEMBL2173155)	Inhibition of PI3Kgamma
50012682	1	ChEMBL_146915 (CHEMBL757503)	Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]DPDPE as radioligand
50012682	2	ChEMBL_148854 (CHEMBL756650)	Binding affinity of compound towards the Opioid receptor mu 1 in rat synaptosomal membrane was determined using [3H]DAGO as radioligand
50040639	14	ChEMBL_862293 (CHEMBL2173149)	Inhibition of human CDK1
50040639	12	ChEMBL_862294 (CHEMBL2173150)	Inhibition of mTOR
50040645	3	ChEMBL_873885 (CHEMBL2184296)	Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by FRET assay
50040645	1	ChEMBL_873884 (CHEMBL2184295)	Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production after overnight incubation by sandwich ELISA
50040646	2	ChEMBL_874113 (CHEMBL2187054)	Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubation by sandwich ELISA
50040646	5	ChEMBL_874114 (CHEMBL2187055)	Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by FRET assay
50012694	1	ChEBML_197656	Inhibitory concentration against serine protease chymase was determined
50012696	1	ChEBML_68902	Inhibitory concentration against gamma-secretase was determined
50012697	2	ChEMBL_46137 (CHEMBL660011)	Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]SR-141,716A at 50 uM
50012697	3	ChEMBL_46136 (CHEMBL660010)	Binding affinity towards cannabinoid CB1 receptor in rat brain membrane by displacement of [3H]SR-141,716A
50012700	1	ChEMBL_123596 (CHEMBL734178)	Inhibitory concentration against Monoamine oxidase B was measured
50012700	2	ChEBML_123597	Inhibitory concentration against Monoamine oxidase B was measured in baboon liver.
50012703	1	ChEBML_160080	Puromycin sensitive aminopeptidase inhibitory activity by the use of L-Ala AMC with MOLT-4
50012705	2	ChEBML_79946	Inhibitory activity against HIV-1 protease
50012705	1	ChEMBL_79946 (CHEMBL689317)	Inhibitory activity against HIV-1 protease
50040648	1	ChEMBL_874134 (CHEMBL2187075)	Inhibition of human recombinant BACE1 using RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by TMB-ELISA
50040648	2	ChEMBL_874329 (CHEMBL2182237)	Inhibition of recombinant BACE1 using NH-SEVNLAAEF-COOH as substrate after 30 mins by NMR analysis
50040648	4	ChEMBL_874332 (CHEMBL2182240)	Inhibition of recombinant BACE1 binding to biotinylated stat-val peptide after 6 mins by octet assay
50040655	8	ChEMBL_876326 (CHEMBL2185800)	Inhibition of PDE5
50040658	8	ChEMBL_872717 (CHEMBL2185130)	Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis
50040658	6	ChEMBL_872716 (CHEMBL2185129)	Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis
50040676	4	ChEMBL_874449 (CHEMBL2184772)	Inhibition of human Aurora kinase B/INCEP complex expressed in Escherichia coli BL21 (DE3) using gamma-[32P]ATP incubated for 1 hr by autoradiography
50012709	1	ChEMBL_323054 (CHEMBL857325)	Agonist activity against human orexin 2 receptor; EC50; nM
50040680	6	ChEMBL_874890 (CHEMBL2182706)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50040680	3	ChEMBL_874893 (CHEMBL2183078)	Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassay
50012709	2	ChEMBL_323053 (CHEMBL857324)	Agonist activity against human orexin 1 receptor; EC50; nM
50040680	7	ChEMBL_874894 (CHEMBL2183079)	Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay
50012711	2	ChEMBL_49693 (CHEMBL665164)	Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane
50040681	4	ChEMBL_874923 (CHEMBL2183108)	Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubation by sandwich ELISA
50040681	2	ChEMBL_874925 (CHEMBL2183110)	Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by FRET assay
50040687	1	ChEMBL_875897 (CHEMBL2187635)	Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluorescence labeled substrate after 60 mins by fluorescence polarization assay in presence of ATP
50040687	5	ChEMBL_875871 (CHEMBL2187609)	Inhibition of PRKG1alpha
50012715	5	ChEBML_96629	Inhibition of human leukocyte elastase(HLE)
50012715	2	ChEBML_47599	Inhibition of recombinant rat Cathepsin B
50012715	1	ChEBML_45544	Inhibition of recombinant human Cathepsin K
50012715	4	ChEBML_48668	Inhibition of recombinant human cathepsin S
50040687	7	ChEMBL_875870 (CHEMBL2187608)	Inhibition of PRKG1beta
50012715	3	ChEBML_48362	Inhibition of recombinant human Cathepsin L
50040694	5	ChEMBL_872756 (CHEMBL2185581)	Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by fluorimetric analysis
50040694	1	ChEMBL_872750 (CHEMBL2185575)	Inhibition of BACE1
50040694	6	ChEMBL_872757 (CHEMBL2185582)	Inhibition of BACE1 in human neuroblastoma cells
50040702	1	ChEMBL_874484 (CHEMBL2184807)	Inhibition of BACE1
50040702	4	ChEMBL_874519 (CHEMBL2185271)	Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA
50040702	2	ChEMBL_874518 (CHEMBL2185270)	Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA
50012719	2	ChEMBL_145255 (CHEMBL751033)	Binding affinity towards Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed on chinese hamster ovary (CHO) cells
50012719	3	ChEMBL_148225 (CHEMBL753234)	Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand
50012721	1	ChEMBL_205630 (CHEMBL813066)	Inhibition of Stromelysin (MMP-3)
50012721	4	ChEMBL_205633 (CHEMBL813241)	Binding to stromelysin (MMP-3) in place of acetohydroxamic acid.
50012721	3	ChEMBL_205632 (CHEMBL813068)	Binding to stromelysin (MMP-3) in the presence of acetohydroxamic acid
50012721	2	ChEMBL_205631 (CHEMBL813067)	Binding to stromelysin (MMP-3) in the presence of 1-Napthohydroxamate
50012722	1	ChEMBL_214640 (CHEMBL819720)	Inhibition of Vitronectin receptor, integrin alphaV-beta3 expressed in HEK 293 cells
50012722	2	ChEMBL_218216 (CHEMBL824386)	Inhibition of integrin alphaIIb-beta3 in platelet aggregation assay
50012723	22	ChEMBL_90408 (CHEMBL698363)	Dissociation constant binding to Insulin-like growth factor binding protein 5 at the residue L-81
50012723	4	ChEMBL_90426 (CHEMBL697415)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue R87
50012723	17	ChEMBL_90416 (CHEMBL698219)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue Y86
50012723	5	ChEMBL_90413 (CHEMBL698368)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue R87
50012723	14	ChEMBL_90410 (CHEMBL698365)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue K91
50012723	15	ChEMBL_90414 (CHEMBL698369)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue S85
50012723	1	ChEMBL_90429 (CHEMBL697418)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue Y86
50012723	2	ChEMBL_90420 (CHEMBL698223)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue R87
50012723	6	ChEMBL_90425 (CHEMBL698182)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue L81
50012723	7	ChEMBL_90421 (CHEMBL698838)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue S85
50012723	20	ChEMBL_90418 (CHEMBL698221)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue L73
50012723	16	ChEMBL_90415 (CHEMBL698218)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue Y50
50012723	8	ChEMBL_90412 (CHEMBL698367)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue L81
50012723	19	ChEMBL_90409 (CHEMBL698364)	Dissociation constant in BS binding to Insulin-like growth factor binding protein 5 at the residue K91
50012723	13	ChEMBL_90427 (CHEMBL697416)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue S85
50012723	18	ChEMBL_90417 (CHEMBL698220)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue K91
50012723	11	ChEMBL_90424 (CHEMBL698181)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue L73
50012723	12	ChEMBL_90423 (CHEMBL698180)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue Y86
50012723	10	ChEMBL_90428 (CHEMBL697417)	Dissociation constant in binding to Insulin-like growth factor binding protein 5 at the residue Y50
50012723	21	ChEMBL_90419 (CHEMBL698222)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue L81
50012723	9	ChEMBL_90411 (CHEMBL698366)	Dissociation constant in DMSO binding to Insulin-like growth factor binding protein 5 at the residue L73
50012723	3	ChEMBL_90422 (CHEMBL698839)	Dissociation constant in PBS binding to Insulin-like growth factor binding protein 5 at the residue Y50
50040704	10	ChEMBL_874725 (CHEMBL2187958)	Binding affinity to human PDE5A1 catalytic domain (535 to 860 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040706	2	ChEMBL_874976 (CHEMBL2183852)	Inhibition of BACE1 in HEK293 cells
50012724	8	ChEMBL_159620 (CHEMBL760101)	Inhibitory activity against viral protease
50040706	11	ChEMBL_874985 (CHEMBL2183861)	Inhibition of BACE1
50040706	12	ChEMBL_874947 (CHEMBL2183473)	Inhibition of CYP3A4 coincubated with substrate
50040706	13	ChEMBL_874771 (CHEMBL2188385)	Inhibition of CYP2D6 coincubated with substrate
50040706	14	ChEMBL_874955 (CHEMBL2183481)	Inhibition of CYP2C9 coincubated with substrate
50040708	6	ChEMBL_874996 (CHEMBL2183872)	Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting
50040708	1	ChEMBL_874992 (CHEMBL2183868)	Partial agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA
50040708	2	ChEMBL_874994 (CHEMBL2183870)	Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA
50040713	3	ChEMBL_876438 (CHEMBL2186799)	Agonist activity at delta opioid receptor expressed in rat/mouse NG108-15 cells assessed as [35S]GTPgammaS binding by scintillation counting analysis
50040713	2	ChEMBL_876436 (CHEMBL2186797)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis
50040713	10	ChEMBL_876449 (CHEMBL2187201)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis
50040713	1	ChEMBL_876434 (CHEMBL2186795)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis
50040713	11	ChEMBL_876451 (CHEMBL2187203)	Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells by scintillation counting analysis
50040713	6	ChEMBL_876446 (CHEMBL2187198)	Binding affinity to delta opioid receptor by radioligand binding assay
50040713	12	ChEMBL_876450 (CHEMBL2187202)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells by scintillation counting analysis
50040714	5	ChEMBL_872807 (CHEMBL2186066)	Inhibition of human BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay
50040714	3	ChEMBL_872806 (CHEMBL2186065)	Inhibition of BACE1-mediated sAPPbeta release in human SH-SY5Y cells after 16 hrs by ELISA
50040714	6	ChEMBL_872803 (CHEMBL2186062)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50040718	1	ChEMBL_873596 (CHEMBL2187885)	Inhibition of BACE1 in human HEK293 cells expressing APP 695 Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production after overnight incubation by ELISA
50040718	2	ChEMBL_873597 (CHEMBL2187886)	Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells
50012728	4	ChEMBL_69937 (CHEMBL679467)	Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells
50012728	1	ChEMBL_68412 (CHEMBL680328)	Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells
50012728	6	ChEMBL_69936 (CHEMBL679466)	Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells
50040718	3	ChEMBL_873573 (CHEMBL2187490)	Inhibition of BACE1 in human KBV1 cells expressing APP 751 Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production after overnight incubation by ELISA in presence of tariquidar
50040718	5	ChEMBL_873574 (CHEMBL2187491)	Inhibition of BACE1 in human KBV1 cells expressing APP 751 Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production after overnight incubation by ELISA in absence of tariquidar
50040739	4	ChEMBL_877316 (CHEMBL2188998)	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting
50040739	5	ChEMBL_877313 (CHEMBL2188995)	Inhibition of CDK1
50040762	8	ChEMBL_878883 (CHEMBL2184596)	Displacement of [3H]Naloxone from mu opioid receptor expressed in CHO cells after 1 hr
50040762	9	ChEMBL_878882 (CHEMBL2184595)	Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells after 1 hr
50040762	10	ChEMBL_878881 (CHEMBL2184594)	Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells after 1 hr
50040762	1	ChEMBL_878872 (CHEMBL2184585)	Agonist activity at delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP-gammaS binding
50040762	4	ChEMBL_878878 (CHEMBL2184591)	Agonist activity at mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP-gammaS binding
50040764	39	ChEMBL_876582 (CHEMBL2188539)	Inhibition of human recombinant EGFR by radiometric kinase assay
50040764	43	ChEMBL_876721 (CHEMBL2183192)	Binding affinity to wild type EGFR by KINOMEscan kinase binding assay
50040764	1	ChEMBL_876534 (CHEMBL2188083)	Inhibition of EGFR in human  NCI-H1975 cells assessed as reduction in ERK phosphorylation incubated for 8 hrs by Western blotting method
50040764	2	ChEMBL_876535 (CHEMBL2188084)	Inhibition of EGFR in human NCI-H1975 cells assessed as reduction in AKT phosphorylation incubated for 8 hrs by Western blotting method
50040764	44	ChEMBL_876558 (CHEMBL2188515)	Inhibition of human recombinant PKCalpha by radiometric kinase assay
50040771	13	ChEMBL_877409 (CHEMBL2182839)	Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting
50040771	14	ChEMBL_877402 (CHEMBL2182832)	Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells
50040771	15	ChEMBL_877412 (CHEMBL2182842)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting
50040771	16	ChEMBL_877403 (CHEMBL2182833)	Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells
50040771	2	ChEMBL_877398 (CHEMBL2182828)	Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine incorporation assay
50040771	9	ChEMBL_877407 (CHEMBL2182837)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50040771	3	ChEMBL_877399 (CHEMBL2182829)	Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hrs by [3H]thymidine incorporation assay
50040771	4	ChEMBL_877401 (CHEMBL2182831)	Agonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as stimulation of mitogenesis incubated for 24 hrs by [3H]thymidine incorporation assay
50040771	1	ChEMBL_877396 (CHEMBL2182826)	Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinpirol-induced mitogenesis incubated for 24 hrs by [3H]thymidine incorporation assay
50040772	8	ChEMBL_877577 (CHEMBL2184512)	Inhibition of human recombinant PDE5A by [3H]cGMP based tritium scintillation proximity assay
50040788	3	ChEMBL_878907 (CHEMBL2185058)	Inhibition of porcine kidney microsomal neutral aminopeptidase using Leu-pNA as substrate preincubated for 10 mins
50040789	5	ChEMBL_878951 (CHEMBL2185514)	Inhibition of BACE1 by fluorescence assay
50040789	1	ChEMBL_878952 (CHEMBL2185515)	Inhibition of BACE1 expressed in CHO 2B7 cells expressing wild type APP695 assessed as reduction in Abeta40/Abeta42 levels incubated for 16 hrs by sandwich ELISA
50040812	10	ChEMBL_879797 (CHEMBL2210525)	Inhibition of human SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins
50040812	8	ChEMBL_879795 (CHEMBL2210523)	Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins
50040813	6	ChEMBL_879874 (CHEMBL2211411)	Inhibition of APN in porcine kidney microsome assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substrate addition by UV-Vis spectrophotometric analysis
50040813	3	ChEMBL_879875 (CHEMBL2211412)	Inhibition of mouse APN
50040825	18	ChEMBL_880410 (CHEMBL2210093)	Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis
50040825	17	ChEMBL_880408 (CHEMBL2210091)	Displacement of [3H]epibatidine from alpha3beta4 nAChR after 4 hrs by liquid scintillation counting analysis
50040825	15	ChEMBL_880406 (CHEMBL2210089)	Displacement of [3H]epibatidine from alpha4beta2* nAChR in rat forebrain after 4 hrs by liquid scintillation counting analysis
50040825	19	ChEMBL_880335 (CHEMBL2209190)	Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis
50040825	14	ChEMBL_880407 (CHEMBL2210090)	Displacement of [3H]epibatidine from alpha4beta2 nAChR after 4 hrs by liquid scintillation counting analysis
50040825	20	ChEMBL_880411 (CHEMBL2210094)	Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis
50040825	21	ChEMBL_880416 (CHEMBL2210099)	Displacement of [125I]Iodopindolol from beta 2 adrenergic receptor after 1.5 hrs by microbeta scintillation counting analysis
50040825	16	ChEMBL_880409 (CHEMBL2210092)	Displacement of [3H]epibatidine from alpha3beta2 nAChR after 4 hrs by liquid scintillation counting analysis
50040829	1	ChEMBL_879124 (CHEMBL2209069)	Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis
50012732	2	ChEMBL_72844 (CHEMBL680869)	Inhibition of the (-40 mV) current elicited by 100 uM glutamate by simultaneous co-application in xenopus oocytes injected with GluR1 flop RNA.
50012732	1	ChEMBL_72845 (CHEMBL680870)	Inhibition of the (-80 mV) current elicited by 100 uM glutamate by simultaneous co-application in xenopus oocytes injected with GluR1 flop RNA.
50012733	1	ChEMBL_72875 (CHEMBL684126)	In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK cells
50040829	19	ChEMBL_879143 (CHEMBL2209114)	Inhibition of MLL1 using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040832	27	ChEMBL_879259 (CHEMBL2208612)	Binding affinity to SH2 domain of GRB2
50040832	28	ChEMBL_879218 (CHEMBL2208531)	Inhibition of CDK1
50040832	29	ChEMBL_879207 (CHEMBL2208520)	Agonist activity at ghrelin receptor
50040832	30	ChEMBL_879223 (CHEMBL2208536)	Inhibition of BACE1
50012733	2	ChEMBL_219264 (CHEMBL822374)	In vitro binding affinity towards rat glucagon receptor
50040832	9	ChEMBL_879257 (CHEMBL2208610)	Inhibition of SH2 domain of GRB2 in human MDA-MB-231 cells
50012739	3	ChEMBL_212855 (CHEMBL817807)	Inhibition of trypsin in human plasma
50012739	1	ChEBML_208491	Inhibition of thrombin in human plasma
50012740	6	ChEMBL_215980 (CHEMBL821009)	Inhibition of alphaIIb-beta3 integrin binding to fibrinogen in ELISA
50012740	7	ChEMBL_217959 (CHEMBL824078)	Inhibition of alphaV-beta3 integrin binding to osteopontin in adhesion assay
50012740	8	ChEMBL_217965 (CHEMBL824084)	Inhibition of alphaV-beta5 integrin binding to vitronectin in adhesion assay
50012741	5	ChEMBL_34227 (CHEMBL648721)	Binding affinity towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]rauwolscine
50040835	4	ChEMBL_880235 (CHEMBL2215364)	Binding affinity to human SERT
50040835	3	ChEMBL_880265 (CHEMBL2215843)	Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay
50012741	2	ChEMBL_1139 (CHEMBL616084)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex
50040835	17	ChEMBL_880237 (CHEMBL2215366)	Binding affinity to rat 5HT3A receptor
50040835	16	ChEMBL_880238 (CHEMBL2215367)	Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50040835	32	ChEMBL_880230 (CHEMBL2215359)	Binding affinity to human beta 2 adrenergic receptor
50040835	33	ChEMBL_880261 (CHEMBL2215839)	Binding affinity to human 5HT1A receptor
50040835	34	ChEMBL_880244 (CHEMBL2215822)	Antagonist activity at human 5HT3A receptor expressed in xenopus oocytes assessed as inhibition of 5HT-induced effect by electrophysiological method
50040835	35	ChEMBL_880219 (CHEMBL2215348)	Antagonist activity at human 5HT7 receptor expressed in HEK-CNG cells assessed as effect on cAMP production by fluorescence based assay
50012741	4	ChEBML_1141	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex using [3H]-8-OH-DPAT
50040835	5	ChEMBL_880267 (CHEMBL2215845)	Binding affinity at human 5HT1B receptor
50040835	15	ChEMBL_880259 (CHEMBL2215837)	Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation counting
50040835	23	ChEMBL_880243 (CHEMBL2215821)	Agonist activity at human 5HT3A receptor expressed in xenopus oocytes by electrophysiological method
50040835	31	ChEMBL_880218 (CHEMBL2215347)	Binding affinity to rat alpha1 adrenergic receptor
50040835	36	ChEMBL_880226 (CHEMBL2215355)	Binding affinity to human 5HT2C receptor
50040856	5	ChEMBL_883687 (CHEMBL2210766)	Agonist activity at human LXR-beta assessed as increase in recruitment of Trap 220/D22 coactivator peptide by TR-FRET assay
50040856	3	ChEMBL_883691 (CHEMBL2210770)	Transactivation of human LXR-beta transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50040856	6	ChEMBL_883688 (CHEMBL2210767)	Agonist activity at human LXR-alpha assessed as increase in recruitment of Trap 220/Drip2 coactivator peptide by TR-FRET assay
50040859	1	ChEMBL_884439 (CHEMBL2212201)	Inhibition of CRTH2 receptor-mediated chemotaxis in human basophils
50040859	15	ChEMBL_884215 (CHEMBL2209445)	Inhibition of CYP2A6
50040859	16	ChEMBL_884220 (CHEMBL2209450)	Binding affinity to human CRTH2 receptor
50040861	25	ChEMBL_881250 (CHEMBL2211982)	Inhibition of PIK3Cd
50040861	178	ChEMBL_881173 (CHEMBL2211478)	Inhibition of CK2a2
50040861	179	ChEMBL_881249 (CHEMBL2211981)	Inhibition of PIK3Cb
50040861	180	ChEMBL_880911 (CHEMBL2215893)	Inhibition of PI3Kgamma by kinobeads assay
50040861	168	ChEMBL_881448 (CHEMBL2214435)	Inhibition of PRKD2
50040861	169	ChEMBL_881444 (CHEMBL2214431)	Inhibition of PRKCA
50040861	181	ChEMBL_881232 (CHEMBL2211537)	Inhibition of MAPK8
50040861	170	ChEMBL_881250 (CHEMBL2211982)	Inhibition of PIK3Cd
50040861	182	ChEMBL_881172 (CHEMBL2211477)	Inhibition of CK2a1
50040861	172	ChEMBL_881188 (CHEMBL2211493)	Inhibition of EIF2AK4
50040861	173	ChEMBL_880961 (CHEMBL2216373)	Inhibition of AURKB
50040861	174	ChEMBL_881165 (CHEMBL2211051)	Inhibition of CAMKK2
50040861	175	ChEMBL_881166 (CHEMBL2211052)	Inhibition of CDC2
50040861	183	ChEMBL_880912 (CHEMBL2215894)	Inhibition of PI3Kalpha assessed as change in pIC50 by kinobeads assay
50040861	177	ChEMBL_880958 (CHEMBL2216370)	Inhibition of ATM
50040869	17	ChEMBL_882994 (CHEMBL2209828)	Inhibition of alpha2B adrenergic receptor
50040869	18	ChEMBL_882960 (CHEMBL2209794)	Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040869	19	ChEMBL_882958 (CHEMBL2209792)	Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040869	20	ChEMBL_882959 (CHEMBL2209793)	Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040869	1	ChEMBL_882784 (CHEMBL2215011)	Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells
50040871	28	ChEMBL_883069 (CHEMBL2210713)	Inhibition of CHK1
50040871	29	ChEMBL_883089 (CHEMBL2210733)	Inhibition of VEGFR2
50040871	30	ChEMBL_883064 (CHEMBL2210708)	Inhibition of aurora B
50040871	31	ChEMBL_883066 (CHEMBL2210710)	Inhibition of CDK1
50040876	32	ChEMBL_884329 (CHEMBL2210362)	Binding affinity to delta opioid receptor
50040880	15	ChEMBL_883355 (CHEMBL2214091)	Binding affinity to Aurora B kinase
50040880	4	ChEMBL_881859 (CHEMBL2211568)	Inhibition of Aurora A kinase autophosphorylation at T288 in human HeLa cells
50040880	16	ChEMBL_883344 (CHEMBL2214080)	Inhibition of human liver microsome CYP2A6 by LC-MS-MS analysis
50040880	14	ChEMBL_883357 (CHEMBL2214093)	Binding affinity to Aurora A kinase
50040880	3	ChEMBL_881858 (CHEMBL2211567)	Inhibition of Aurora B kinase-mediated Histone H3 phosphorylation at S10 in human HeLa cells
50040881	6	ChEMBL_883385 (CHEMBL2214584)	Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay
50040881	7	ChEMBL_883380 (CHEMBL2214579)	Inhibition of DNA-PK
50012747	2	ChEMBL_37636 (CHEMBL650281)	In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in rat brain
50040891	6	ChEMBL_887293 (CHEMBL2216272)	Inhibition of CDK1
50040891	7	ChEMBL_887302 (CHEMBL2216281)	Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP
50040891	3	ChEMBL_887300 (CHEMBL2216279)	Inhibition of CHK1 in human HT-29 cells assessed as etoposide-induced G2 check point arrest after 21 hrs by ELISA
50012750	4	ChEBML_27393	Inhibitory activity against Acid sphingomyelinase from bovine brain microsome
50012750	5	ChEMBL_144775 (CHEMBL872837)	Inhibitory activity against schyphostatin of neutral sphingomyelinase (N-SMase) from bovine brain microsome
50012750	3	ChEMBL_144777 (CHEMBL751443)	Inhibitory activity against neutral sphingomyelinase (N-SMase) from bovine brain microsomes
50012754	1	ChEBML_154188	In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma)
50012754	2	ChEBML_153862	In vitro activation of human peroxisome proliferator activated receptor delta (PPAR delta)
50012754	3	ChEBML_153387	In vitro activation of human peroxisome proliferator activated receptor alpha
50012755	20	ChEMBL_197069 (CHEMBL806658)	Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta
50012755	15	ChEBML_196005	Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR gamma
50012755	13	ChEMBL_197406 (CHEMBL799796)	Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR alpha
50012755	9	ChEMBL_196928 (CHEMBL801228)	Inhibition of [3H]ATRA binding to human Retinoic acid receptor RAR beta
50012755	16	ChEBML_197228	Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR gamma
50012755	21	ChEMBL_196766 (CHEMBL798077)	Inhibition of [3H]9-cis-RA binding to human Retinoid X receptor RXR alpha
50012755	11	ChEBML_197221	Transcriptional activation in CV-1 cells expressing mouse Retinoid X receptor RXR gamma
50012755	2	ChEMBL_195488 (CHEMBL798910)	Agonistic activity against Retinoic acid receptor RAR beta in CV-1 cells
50040905	10	ChEMBL_886426 (CHEMBL2213798)	Inhibition of Aurora B
50040912	64	ChEMBL_886839 (CHEMBL2210943)	Inhibition of recombinant CHK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	65	ChEMBL_886838 (CHEMBL2210942)	Inhibition of recombinant GST-tagged PLK1 using biotin-ahx-AKMETTFYDDALNASFLPSEKKK-amide as substrate after 30 mins by scintillation counting analysis in presence of gamma-[33P]ATP
50040912	22	ChEMBL_886837 (CHEMBL2210941)	Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay
50040956	21	ChEMBL_884745 (CHEMBL2215626)	Binding affinity to T7-phage-tagged STK17A by PCR analysis
50040956	22	ChEMBL_884763 (CHEMBL2215644)	Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting
50040956	3	ChEMBL_884749 (CHEMBL2215630)	Binding affinity to T7-phage-tagged JNK1 by PCR analysis
50041403	7	ChEMBL_307549 (CHEMBL831262)	Effective concentration against human melanocortin receptor-4 expressed in 293 HEK cells
50041403	1	ChEMBL_307552 (CHEMBL831265)	Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells
50041403	6	ChEMBL_307550 (CHEMBL831263)	Effective concentration against mouse melanocortin receptor-5 expressed in 293 HEK cells
50012758	9	ChEBML_216833	Inhibition of c-Jun N-terminal kinase 3
50012758	7	ChEBML_124486	Inhibitory activity against mitogen-activated protein kinase p38 alpha
50012758	3	ChEBML_161961	Inhibition of Protein tyrosine kinase Lyn
50012758	1	ChEBML_221502	Inhibition of p56 Lck tyrosine kinase
50012758	5	ChEBML_202625	Inhibition of Src protein tyrosine kinase
50012758	6	ChEBML_91948	Inhibition of Janus kinase 2
50012758	8	ChEBML_91955	Inhibition of Janus kinase 3
50012758	4	ChEBML_91946	Inhibition of Janus kinase 1
50012758	11	ChEBML_68342	Inhibition of Extracellular signal-regulated kinase 1
50012758	10	ChEBML_69448	Inhibition of Fyn protein kinase
50012758	2	ChEBML_210737	Inhibition of Tyrosine kinase 2 kinase, tyk-2
50012759	2	ChEBML_1232	Inhibition of the 5-hydroxytryptamine 1A receptor in rat dorsal raphe
50012759	7	ChEBML_201666	Inhibitory concentration required against 5-HT uptake in rat cortex
50041403	8	ChEMBL_307551 (CHEMBL831264)	Displacement of [125I]NDP-MSH from human melanocortin receptor-3 expressed in 293 HEK cells
50012759	8	ChEBML_1783	Inhibitory concentration required against 5-hydroxytryptamine 1B receptor in rat striatum using [3H]5-HT
50012759	3	ChEBML_1841	Inhibitory concentration required against 5-hydroxytryptamine 1C receptor in bovine choroid plexus using [3H]mesulergine
50012759	5	ChEBML_1627	Inhibitory concentration required against 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]5-HT
50012759	11	ChEBML_61742	Inhibitory concentration required against Dopamine receptor D2 in rat striatum
50012759	10	ChEBML_3062	Inhibitory concentration required against 5-HT3 receptor in bovine area postrema using [3H]GR-65630
50041403	9	ChEMBL_307553 (CHEMBL831266)	Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells
50041403	3	ChEMBL_307548 (CHEMBL831261)	Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells
50041529	2	ChEMBL_456375 (CHEMBL906422)	Inhibition of PDE5
50012761	3	ChEMBL_48982 (CHEMBL885073)	Inhibitory concentration to coagulation factor X
50012761	1	ChEMBL_208877 (CHEMBL814935)	Inhibitory concentration required against Thrombin
50012761	2	ChEMBL_213053 (CHEMBL817898)	Inhibitory concentration required against trypsin
50023941	2	ChEMBL_509492 (CHEMBL1008128)	Displacement of [3H]estradiol from human recombinant ERbeta
50023941	1	ChEMBL_504921 (CHEMBL946607)	Displacement of [3H]estradiol from human recombinant ERalpha
50023961	6	ChEMBL_545872 (CHEMBL1034387)	Inhibition of yeast alpha-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test
50023961	7	ChEMBL_545873 (CHEMBL1034388)	Inhibition of rat intestinal maltase assessed as D-glucose release after 30 mins by Glucose B-test
50023961	4	ChEMBL_545875 (CHEMBL1034390)	Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test
50023961	3	ChEMBL_545876 (CHEMBL1034391)	Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry
50023961	2	ChEMBL_545877 (CHEMBL1034392)	Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry
50023961	8	ChEMBL_545874 (CHEMBL1034389)	Inhibition of rat liver lysosome alpha-glucosidase assessed as D-glucose release after 30 mins by Glucose B-test
50023961	1	ChEMBL_545878 (CHEMBL1034393)	Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol release after 30 mins by spectrophotometry
50023961	5	ChEMBL_546051 (CHEMBL1035053)	Inhibition of rat intestinal lactase assessed as p-nitrophenol release after 30 mins by spectrophotometry
50041585	19	ChEMBL_556328 (CHEMBL954063)	Displacement of radioligand from human cloned adrenergic beta2 receptor
50041585	1	ChEMBL_556304 (CHEMBL953250)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor
50041585	20	ChEMBL_556305 (CHEMBL954040)	Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor
50041594	2	ChEMBL_487923 (CHEMBL1016577)	Agonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells
50041594	7	ChEMBL_487921 (CHEMBL1016575)	Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells
50012765	2	ChEMBL_106341 (CHEMBL713796)	In vitro ability to inhibit the binding of [125I]AGRP to the human Melanocortin 4 receptor
50012765	1	ChEMBL_106342 (CHEMBL713797)	In vitro ability to inhibit the binding of alpha [125I]NDP-MSH to the human Melanocortin 4 receptor
50041594	8	ChEMBL_487925 (CHEMBL1016579)	Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells
50041594	9	ChEMBL_487917 (CHEMBL1015736)	Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells
50041594	3	ChEMBL_487927 (CHEMBL1016581)	Agonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as stimulation of extracellular acidification
50041594	1	ChEMBL_487919 (CHEMBL1015738)	Agonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as stimulation of extracellular acidification
50041599	2	ChEMBL_514120 (CHEMBL968866)	Inhibition of PDE5
50041615	2	ChEMBL_534945 (CHEMBL983662)	Inhibition of PDE5
50041673	12	ChEMBL_516618 (CHEMBL991394)	Displacement of [125I]iodocyanopindolol from adrenergic beta2 receptor expressed in CHO cells
50041717	10	ChEMBL_523552 (CHEMBL1001566)	Antagonist activity at human recombinant delta opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of DPDPE-induced intracellular calcium mobilization
50041717	11	ChEMBL_523554 (CHEMBL1001568)	Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellular calcium mobilization
50041722	7	ChEMBL_502287 (CHEMBL983958)	Inhibition of Aurora B kinase
50041728	3	ChEMBL_572015 (CHEMBL1023677)	Inhibition of human CYP2A6
50041730	4	ChEMBL_570759 (CHEMBL1026934)	Inhibition of Chk1
50012771	1	ChEMBL_141417 (CHEMBL752321)	Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [3H]-MDL- 105,519
50041768	2	ChEMBL_595093 (CHEMBL1047079)	Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting
50041768	7	ChEMBL_595090 (CHEMBL1047076)	Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50041768	8	ChEMBL_595089 (CHEMBL1047075)	Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50041768	3	ChEMBL_595091 (CHEMBL1047077)	Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting
50041799	5	ChEMBL_625549 (CHEMBL1109729)	Agonist activity at LXRbeta ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 by luciferase reporter assay
50041799	6	ChEMBL_625546 (CHEMBL1109726)	Displacement of [N-methyl-3H]T1317 from human biotinylated LXRbeta LBD after 3 hrs by LEAD seeker binding assay
50041799	2	ChEMBL_625551 (CHEMBL1109731)	Antagonist activity at LXRbeta ligand binding domain assessed as inhibition of T1317-induced transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 by luciferase reporter assay
50041799	1	ChEMBL_625547 (CHEMBL1109727)	Antagonist activity at LXRalpha ligand binding domain assessed as inhibition of T1317-induced transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 by luciferase reporter assay
50041811	4	ChEMBL_634432 (CHEMBL1119458)	Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after 30 to 45 mins
50041866	5	ChEMBL_684817 (CHEMBL1285954)	Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells
50041866	7	ChEMBL_684821 (CHEMBL1286051)	Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cells
50041866	2	ChEMBL_684822 (CHEMBL1286052)	Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry
50041866	8	ChEMBL_684818 (CHEMBL1286048)	Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry
50041866	9	ChEMBL_684813 (CHEMBL1285950)	Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells
50012778	10	ChEMBL_2466 (CHEMBL617354)	Ability to displace [3H]-ketanserin from 5-hydroxytryptamine 2A receptor
50012778	8	ChEMBL_3056 (CHEMBL620674)	Ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor
50012778	6	ChEMBL_58978 (CHEMBL668643)	Ability to displace [3H]SCH-23390 from Dopamine receptor D1
50012778	7	ChEMBL_3312 (CHEMBL619013)	Ability to displace [3H]GR-113808 from mouse 5-hydroxytryptamine 4 receptor in COS7 cells
50012778	9	ChEMBL_214394 (CHEMBL819415)	Ability to displace [3H]AVP from vasopressin V1 receptor
50012778	4	ChEMBL_1559 (CHEMBL616380)	Ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor
50012778	5	ChEMBL_215029 (CHEMBL820880)	Ability to displace [3H]AVP from Vasopressin V2 receptor
50012778	3	ChEMBL_61148 (CHEMBL670685)	Ability to displace [3H]YM-0915 from Dopamine receptor D2
50012778	1	ChEMBL_2927 (CHEMBL617642)	Ability to displace [3H]5-HT from 5-hydroxytryptamine 2B receptor
50041866	4	ChEMBL_684814 (CHEMBL1285951)	Agonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry
50012780	2	ChEMBL_162009 (CHEMBL764180)	Inhibitory activity of compound against human purine nucleoside phosphorylase (PNP)
50012780	1	ChEMBL_162004 (CHEMBL764175)	Inhibitory activity of compound against bovine purine nucleoside phosphorylase (PNP)
50041879	4	ChEMBL_699953 (CHEMBL1646360)	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA
50041886	2	ChEMBL_715421 (CHEMBL1664806)	Inhibition of human BACE1
50012788	4	ChEMBL_141155 (CHEMBL749673)	Tested for in vitro antagonistic activity against recombinant human N-methyl-D-aspartate glutamate receptor 2B
50012788	3	ChEMBL_104294 (CHEMBL857622)	Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane
50012788	7	ChEMBL_104274 (CHEMBL711709)	Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as antagonist
50012788	6	ChEMBL_104294 (CHEMBL857622)	Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane
50012788	2	ChEMBL_141154 (CHEMBL749672)	Tested for in vitro antagonistic activity against human N-methyl-D-aspartate glutamate receptor 2B
50012789	1	ChEMBL_210622 (CHEMBL811739)	Compound was evaluated for its inhibitory activity against recombinant purified Escherichia coli Thymidine Phosphorylase
50012790	1	ChEMBL_159660 (CHEMBL761788)	Inhibitory activity against human full length Poly (ADP-ribose) polymerase 1
50012791	1	ChEMBL_35791 (CHEMBL649398)	Inhibition constant against [125I]-7 (TZDM) binding to Amyloid beta 1-40 aggregates
50012792	1	ChEMBL_72358 (CHEMBL686445)	Inhibition against Growth factor receptor bound protein 2 binding using ELISA technique
50041901	111	ChEMBL_738462 (CHEMBL1743539)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation
50041901	95	ChEMBL_774163 (CHEMBL1908258)	Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by 7-methoxyresorufin O-demethylation (MROD)
50041901	100	ChEMBL_774160 (CHEMBL1908255)	Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	14	ChEMBL_738345 (CHEMBL1743422)	Mechanism based inhibition of human cytochrome P450 3A4
50041901	80	ChEMBL_738408 (CHEMBL1743485)	Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylation
50041901	18	ChEMBL_738467 (CHEMBL1743368)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using a recombinant system
50041901	19	ChEMBL_738468 (CHEMBL1743369)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation
50041901	98	ChEMBL_774168 (CHEMBL1908263)	Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-pentoxyresorufin O-deethylation activity (PROD)
50041901	102	ChEMBL_774153 (CHEMBL1908248)	Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 measured by 7-EFC O-deethylation activity
50041901	105	ChEMBL_774148 (CHEMBL1908243)	Mechanism based inhibition of human cytochrome P450 CYP3A4 measured by 7BFC O-debenzylation
50041901	92	ChEMBL_774162 (CHEMBL1908257)	Mechanism based inhibition of rat cytochrome P450 CYP1A2
50041901	16	ChEMBL_738465 (CHEMBL1743366)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation
50041901	73	ChEMBL_738393 (CHEMBL1743470)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using a recombinant system
50041901	109	ChEMBL_738389 (CHEMBL1743466)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	96	ChEMBL_774166 (CHEMBL1908261)	Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-EFC O-deethylation activity
50041901	104	ChEMBL_774156 (CHEMBL1908251)	Mechanism based inhibition of rabbit cytochrome P450 CYP2E1 measured by 7-EFC O-deethylation activity
50041901	59	ChEMBL_738381 (CHEMBL1743458)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	50	ChEMBL_738363 (CHEMBL1743440)	Mechanism based inhibition of human cytochrome P450 3A4 measured by midazolam 1'-hydroxylation
50041901	101	ChEMBL_774151 (CHEMBL1908246)	Mechanism based inhibition of rabbit cytochrome P450 CYP2B4
50041901	38	ChEMBL_738492 (CHEMBL1743393)	Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using a recombinant system
50041901	97	ChEMBL_774165 (CHEMBL1908260)	Mechanism based inhibition of rat cytochrome P450 CYP2B1
50041901	110	ChEMBL_738394 (CHEMBL1743471)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone beta-hydroxylation
50041901	75	ChEMBL_738395 (CHEMBL1743472)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation
50041901	89	ChEMBL_738461 (CHEMBL1743538)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hxdroxylation using purified P450
50041901	17	ChEMBL_738466 (CHEMBL1743367)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using human liver microsomes
50041901	42	ChEMBL_738322 (CHEMBL1743408)	Mechanism based inhibition of human cytochrome P450 2C9 measured by 7-EFC O-deethylation
50041901	93	ChEMBL_774161 (CHEMBL1908256)	Mechanism based inhibition of rat cytochrome P450 CYP1A1 measured by ethoxyresorufin O-deethylation warfarin R-6 and R-8 hydroxylation
50041901	103	ChEMBL_774152 (CHEMBL1908247)	Mechanism based inhibition of rabbit cytochrome P450 CYP2B4 1-Phenylethanol oxidation was used as probe activity
50041901	108	ChEMBL_738358 (CHEMBL1743435)	Mechanism based inhibition of human cytochrome P450 3A4 measured by BFC hydroxylation
50041901	107	ChEMBL_774145 (CHEMBL1908240)	Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using recombinant enzyme
50041901	25	ChEMBL_738475 (CHEMBL1743376)	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation
50041901	15	ChEMBL_738463 (CHEMBL1743540)	Mechanism based inhibition of human cytochrome P450 2A6 measured by coumarin 7-hydroxylation using human liver microsomes
50041901	94	ChEMBL_774164 (CHEMBL1908259)	Mechanism based inhibition of rat cytochrome P450 CYP1A2 measured by zolmitriptan metabolism
50041901	3	ChEMBL_738452 (CHEMBL1743529)	Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	76	ChEMBL_738401 (CHEMBL1743478)	Mechanism based inhibition of human cytochrome P450 3A4 using expressed CYP3A4 cDNA
50041901	10	ChEMBL_738337 (CHEMBL1743414)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation using human liver microsomes
50041901	29	ChEMBL_738480 (CHEMBL1743381)	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6
50041901	106	ChEMBL_774144 (CHEMBL1908239)	Mechanism based inhibition of dog cytochrome P450 CYP2B11 measured by Diazepam N1-demethylation using liver microsomes
50041901	30	ChEMBL_738481 (CHEMBL1743382)	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomes
50041901	99	ChEMBL_774167 (CHEMBL1908262)	Mechanism based inhibition of rat cytochrome P450 CYP2B1 measured by 7-ethoxycoumarin O-deethylase activity
50041901	91	ChEMBL_774177 (CHEMBL1908272)	Mechanism based inhibition of rat cytochrome P450 CYP2E1 measured by P-nitrophenol (PNP) hydroxylase activity
50041901	23	ChEMBL_738473 (CHEMBL1743374)	Mechanism based inhibition of human cytochrome P450 2B6
50041901	112	ChEMBL_738484 (CHEMBL1743385)	Mechanism based inhibition of human cytochrome P450 2B6 using recombinant CYP2B6
50041910	2	ChEMBL_744724 (CHEMBL1772745)	Intrinsic activity at FPR1 in human neutrophils assessed as increase in calcium mobilization by FLIPR assay relative to fMLF
50041910	9	ChEMBL_744776 (CHEMBL1772797)	Antagonist activity at FPR1
50041918	7	ChEMBL_750583 (CHEMBL1786447)	Displacement of [3H]DPN from human recombinant delta-type opioid receptor expressed in CHO cell membranes
50041918	8	ChEMBL_750576 (CHEMBL1786440)	Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells
50041925	2	ChEMBL_756114 (CHEMBL1804370)	Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr
50041933	5	ChEMBL_759383 (CHEMBL1810621)	Binding affinity to dopamine 2 receptor
50041933	6	ChEMBL_759387 (CHEMBL1810625)	Binding affinity to adrenergic beta1 receptor
50041933	7	ChEMBL_759384 (CHEMBL1810622)	Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins
50041933	2	ChEMBL_759393 (CHEMBL1810631)	Agonist activity at adrenergic beta1 receptor
50041936	5	ChEMBL_761250 (CHEMBL1816608)	Agonist activity at human adrenergic beta2 receptor expressed in CHO cells assessed as cAMP accumulation
50041946	3	ChEMBL_772283 (CHEMBL1838605)	Inhibition of GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay
50041947	11	ChEMBL_772964 (CHEMBL1838852)	Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosphorylation of 5FAM-PKA-tide substrate after 150 mins by fuorescence polarisation kinase assay
50041947	10	ChEMBL_772881 (CHEMBL1838284)	Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay
50041951	5	ChEMBL_773263 (CHEMBL1840215)	Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation
50041954	12	ChEMBL_788602 (CHEMBL1918637)	Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in BHK cells
50041954	8	ChEMBL_788603 (CHEMBL1918638)	Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in BHK cells
50041954	3	ChEMBL_788596 (CHEMBL1918631)	Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells
50041954	9	ChEMBL_788604 (CHEMBL1918639)	Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in BHK cells
50012796	2	ChEMBL_46329 (CHEMBL874517)	In vitro inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I of rat heart mitochondria
50012796	1	ChEMBL_46326 (CHEMBL660894)	Inhibition of [14C]palmitoyl-CoA and carnitine binding to carnitine palmitoyltransferase I from rat liver mitochondria
50012797	7	ChEMBL_70392 (CHEMBL683018)	Binding affinity for recombinant rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells
50012797	1	ChEMBL_70706 (CHEMBL685342)	Binding affinity for recombinant rat GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in HEK 293 cells
50041954	13	ChEMBL_788605 (CHEMBL1918640)	Inhibition of mouse GAT4-mediated [3H]GABA uptake expressed in BHK cells
50012797	6	ChEMBL_69938 (CHEMBL679468)	Binding affinity for recombinant rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells
50012797	5	ChEMBL_70242 (CHEMBL680297)	Binding affinity for recombinant rat GABA-A receptor alpha-2-beta-2-gamma-2 subunits expressed in HEK293 cells
50012797	3	ChEMBL_37810 (CHEMBL651185)	Binding affinity for recombinant rat alpha-2-beta-2-gamma-2 GABA-A receptor subunits expressed in HEK293 cells
50041955	8	ChEMBL_788190 (CHEMBL1919337)	Antagonist activity at human FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation by FLIPR assay
50041960	9	ChEMBL_796441 (CHEMBL1937756)	Antagonist activity at human recombinant FPR1 in expressed in HEK293 cells assessed as inhibition of FMLP-stimulated intracellular calcium mobilisation after 1 hr by FLIPR assay
50041964	5	ChEMBL_797649 (CHEMBL1943767)	Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation counting
50041964	2	ChEMBL_797650 (CHEMBL1943768)	Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay
50041964	4	ChEMBL_797652 (CHEMBL1943770)	Agonist activity at beta2-adrenoceptor endogenously expressed in human BEAS-2B cells assessed as cAMP accumulation by homogeneous radioimmunoassay
50012800	3	ChEMBL_63832 (CHEMBL676220)	Binding affinity for enzyme human leukocyte HLE
50041965	2	ChEMBL_800667 (CHEMBL1947789)	Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry
50041965	9	ChEMBL_800692 (CHEMBL1947814)	Binding affinity to beta1 adrenoceptor
50041965	11	ChEMBL_800669 (CHEMBL1947791)	Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor
50012801	2	ChEMBL_124502 (CHEMBL733338)	Tested in vitro for filter plate binding versus gamma-[33P]ATP in active recombinant murine FLAG-P38 alpha fusion protein (GST-Activating transcription factor-2).
50012802	3	ChEMBL_31398 (CHEMBL645644)	Inhibition of isoproterenol-stimulated cAMP accumulation in HEK 293 cells expressing human Adenosine A3 receptor
50012802	1	ChEMBL_29902 (CHEMBL641973)	Binding affinity using [125I]ABA against human Adenosine A3 receptor
50012802	2	ChEMBL_28036 (CHEMBL643032)	Binding affinity using [125I]ABA against human Adenosine A1 receptor
50012806	3	ChEMBL_123589 (CHEMBL732458)	Inhibitory concentration against Monoamine oxidase A (MAO-A)
50012806	1	ChEMBL_124426 (CHEMBL874045)	Inhibitory concentration against Monoamine oxidase B (MAO-B)
50012806	2	ChEMBL_100189 (CHEMBL706222)	Inhibitory concentration against lysyl oxidase
50041965	7	ChEMBL_800687 (CHEMBL1947809)	Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay
50041965	12	ChEMBL_800670 (CHEMBL1947792)	Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor
50041965	8	ChEMBL_800688 (CHEMBL1947810)	Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay
50012812	4	ChEMBL_217809 (CHEMBL821716)	Displacement of [125I]echistatin from alphaV-beta3 integrin of human skin fibroblasts
50012812	3	ChEMBL_218212 (CHEMBL824382)	Displacement of [125I]echistatin from alphaIIb-beta3 integrin of human platelets
50012814	1	ChEBML_124499	Inhibition of murine p38 alpha kinase
50041970	3	ChEMBL_807805 (CHEMBL1959583)	Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs
50041970	2	ChEMBL_807684 (CHEMBL1959449)	Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-based assay
50012818	1	ChEBML_208523	Inhibitory constant against thrombin using human purified enzymes
50012818	2	ChEBML_212870	Inhibitory constant against trypsin using human purified enzymes
50012818	3	ChEBML_69668	Inhibition of human purified factor Xa
50012820	3	ChEBML_210497	Effective concentration binding towards TR-beta-1 in E25B2 cells (agonistic activity)
50012820	4	ChEBML_210487	Effective concentration binding towards TRalpha in E25B2 cells (agonistic activity)
50012820	1	ChEMBL_210498 (CHEMBL879200)	Effective concentration binding towards TR-beta-1 in E25B2 cells (agonistic activity)
50012822	2	ChEBML_152310	Inhibitory concentration against porcine pancreatic elastase (PPE)
50012822	1	ChEBML_137	Inhibitory concentration against human neutrophil elastase (HNE)
50012824	2	ChEBML_201994	In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]paroxetine displacement.
50012824	1	ChEBML_60236	In vitro binding affinity at human cloned dopamine receptor D2 (long) stably expressed in CHO cells by [3H]spiperone displacement.
50012827	2	ChEBML_49434	Inhibitory concentration against Streptococcus pneumoniae chorismate synthase
50012827	1	ChEBML_65103	Competitive inhibitory activity with respect to EPSP (5-enolpyruvyl-shikimate- 3-phosphate) synthase
50012828	3	ChEMBL_85861 (CHEMBL694201)	Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5
50012831	3	ChEBML_140852	Inhibition of specific binding of [3H]glycine to NMDA receptors, in rat cortical membranes at 32 uM conc.
50041971	5	ChEMBL_805962 (CHEMBL1960290)	Agonist activity at human adrenoceptor aplha 2B expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometric analysis
50041971	7	ChEMBL_805958 (CHEMBL1960286)	Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in CHO cells
50041971	8	ChEMBL_805959 (CHEMBL1960287)	Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells
50041971	4	ChEMBL_805961 (CHEMBL1960289)	Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometric analysis
50041971	9	ChEMBL_805960 (CHEMBL1960288)	Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells
50012839	2	ChEBML_67033	Binding affinity for Human Estrogen receptor-alpha
50012839	4	ChEBML_67178	Binding affinity for Rat Estrogen receptor-alpha
50012839	1	ChEBML_67193	Binding affinity for Human Estrogen receptor-beta
50012839	3	ChEBML_67342	Binding affinity foor Rat Estrogen receptor-beta
50012843	2	ChEMBL_90531 (CHEMBL700601)	Inhibition of LFA-1/ICAM-1 interaction in ELISA
50012844	7	ChEMBL_215971 (CHEMBL821000)	Inhibition of fibrinogen binding to integrin alphaIIb-beta3
50012844	10	ChEMBL_217626 (CHEMBL820369)	Inhibition of fibrinogen binding to K562 cells expressing integrin alpha5-beta1
50012844	11	ChEMBL_217945 (CHEMBL823913)	Inhibition of fibrinogen binding to K562 cells expressing integrin alphaV-beta3
50012844	8	ChEMBL_217961 (CHEMBL824080)	Inhibition of vitronectin binding to HT-29 cells expressing integrin alphaV-beta5
50012844	12	ChEMBL_217946 (CHEMBL823914)	Inhibition of fibrinogen binding to K562 cells expressing integrin alphaV-beta3
50012844	9	ChEMBL_217818 (CHEMBL821725)	Inhibition of fibrinogen binding to integrin alphaV-beta3 receptor
50041971	6	ChEMBL_805963 (CHEMBL1960291)	Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometric analysis
50041973	6	ChEMBL_807925 (CHEMBL1959308)	Displacement of [3H]RX821002 from human alpha2B adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting
50041973	7	ChEMBL_807924 (CHEMBL1959307)	Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting
50012848	1	ChEBML_144031	Binding affinity to alpha-7 receptor subtype from human neuroblastoma SH-SY5Y cells was measured using [125I]-alpha-bungarotoxin as radioligand
50012848	3	ChEMBL_143553 (CHEMBL755326)	Binding affinity to alpha4 beta-2 receptor subtype from mouse fibroblast M10 cells was measured using [3 H]nicotine
50041973	8	ChEMBL_807929 (CHEMBL1959312)	Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting
50042099	6	ChEMBL_840305 (CHEMBL2091262)	Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis
50042099	8	ChEMBL_840304 (CHEMBL2091212)	Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting
50042099	9	ChEMBL_840149 (CHEMBL2090926)	Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting
50042099	5	ChEMBL_840150 (CHEMBL2090927)	Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis
50042118	6	ChEMBL_839813 (CHEMBL2089824)	Displacement of [3H]diprenorphine from human cloned delta type opioid receptor expressed in CHO cell membranes by scintillation counter
50042118	7	ChEMBL_839689 (CHEMBL2090803)	Displacement of [3H]Nociceptin from human recombinant NOP receptor expressed in CHO cells by scintillation counter
50042144	1	ChEMBL_841415 (CHEMBL2091584)	Binding affinity to human beta2-adrenoceptor by radioligand binding assay
50012850	1	ChEBML_212214	Inhibition of TNF-alpha binding to TNFRc1
50012852	3	ChEBML_89940	Inhibitory activity against IMPDH II with respect to IMP and NAD
50012852	1	ChEBML_89796	Inhibitory activity against inosine monophosphate dehydrogenase IMPDH type I
50012852	2	ChEMBL_89940 (CHEMBL699566)	Inhibitory activity against IMPDH II with respect to IMP and NAD
50012853	1	ChEBML_89930	Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II
50042144	5	ChEMBL_840417 (CHEMBL2089594)	Agonist activity at beta2-adrenoceptor in human bronchial smooth-muscle cell by cAMP assay
50042144	7	ChEMBL_840420 (CHEMBL2089597)	Kinetic binding affinity to human beta2-adrenoceptor
50012854	1	ChEBML_62472	Binding affinity for dopamine transporter (DAT)
50012854	2	ChEBML_201829	Binding affinity for serotonin transporter (SERT)
50012856	3	ChEBML_69681	Inhibitory concentration to factor Xa
50012856	2	ChEBML_160975	Inhibition of factor II
50012856	5	ChEBML_213052	Inhibitory concentration against trypsin
50012856	4	ChEMBL_69684 (CHEMBL877814)	Binding affinity towards factor Xa
50042226	15	ChEMBL_38470 (CHEMBL652427)	Receptor binding assay(Beta-2 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human receptor in the presence of [125I]iodocyanopindolol
50012856	1	ChEMBL_160976 (CHEMBL769317)	Inhibitory concentration against factor IIa
50012857	4	ChEBML_138182	Binding affinity towards muscarinic receptor M2
50012857	5	ChEMBL_39648 (CHEMBL649953)	Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells
50042226	11	ChEMBL_41705 (CHEMBL654147)	Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration
50012857	3	ChEMBL_138183 (CHEMBL749204)	Inhibition of binding affinity to muscarinic receptor M2
50042226	10	ChEMBL_41698 (CHEMBL858102)	Ability to cause cAMP accumulation in CHO cells expressing human beta-3 AR expressed as the negative logarithm of the molar drug concentration
50012857	2	ChEBML_139207	Binding affinity towards muscarinic receptor M1
50012857	8	ChEMBL_39501 (CHEMBL873192)	Ability of compound to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cells
50042226	13	ChEMBL_41548 (CHEMBL858099)	Concentration that causes 50% inhibition of human beta 2 adrenergic receptor (AR), expressed in CHO cells.
50042226	8	ChEMBL_41677 (CHEMBL655820)	Ability to cause cAMP accumulation in CHO cells expressing human beta-2 AR expressed as the negative logarithm of the molar drug concentration
50042226	7	ChEMBL_41534 (CHEMBL654941)	Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration
50042226	12	ChEMBL_41529 (CHEMBL858101)	Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.
50042226	3	ChEMBL_41530 (CHEMBL654937)	Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.
50012863	2	ChEMBL_212685 (CHEMBL815470)	Inhibitory constant against human trypsin
50012863	1	ChEMBL_210607 (CHEMBL816574)	Inhibitory constant against thrombin (IIa) 
50012865	1	ChEMBL_214964 (CHEMBL821193)	Inhibition of human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes
50012865	2	ChEMBL_214952 (CHEMBL819403)	Inhibition of human voltage-gated potassium channel subunit Kv1.3 expressed in Xenopus oocytes
50042226	4	ChEMBL_41547 (CHEMBL654954)	Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells
50042226	5	ChEMBL_41535 (CHEMBL654942)	Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.
50012869	1	ChEMBL_209728 (CHEMBL816426)	Inhibition of Taq DNA polymerase
50012869	2	ChEMBL_209729 (CHEMBL816427)	Inhibition of Taq DNA polymerase by TRAP assay
50012870	1	ChEMBL_60330 (CHEMBL672802)	Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390
50012870	2	ChEMBL_59476 (CHEMBL671436)	Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437
50042226	14	ChEMBL_41706 (CHEMBL654148)	Activity against human beta 3 adrenergic receptor (AR), expressed in CHO cells.
50042226	9	ChEMBL_41699 (CHEMBL654141)	Activity against human beta 3 adrenergic receptor (AR), expressed in CHO cells.
50042226	6	ChEMBL_41678 (CHEMBL858100)	Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells
50042304	4	ChEMBL_770402 (CHEMBL1833711)	Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50042304	3	ChEMBL_770403 (CHEMBL1833712)	Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50042304	8	ChEMBL_770398 (CHEMBL1833707)	Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells
50042304	9	ChEMBL_770401 (CHEMBL1833710)	Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50012872	1	ChEMBL_155145 (CHEMBL760186)	Displacement of [3H]-WEB 2086 from Platelet activating factor receptor (guinea pig) transgenic mouse muscle membrane
50042304	7	ChEMBL_770397 (CHEMBL1833706)	Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells
50042304	2	ChEMBL_770400 (CHEMBL1833709)	Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50042304	10	ChEMBL_770399 (CHEMBL1833708)	Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells
50012876	1	ChEMBL_46640 (CHEMBL658896)	Binding affinity was determined by using a competition assay with [125 I]- AM251 against rat cannabinoid receptor 1
50012877	5	ChEMBL_62753 (CHEMBL872899)	Binding affinity of compound was tested for Dopamine receptor D3
50012877	1	ChEMBL_3751 (CHEMBL620752)	Binding affinity to the rat 5-hydroxytryptamine 7 receptor
50012877	7	ChEMBL_1102 (CHEMBL616425)	Binding affinity to the rat 5-hydroxytryptamine 1A receptor
50012877	2	ChEMBL_202056 (CHEMBL883641)	Binding affinity of compound was tested for Sigma receptor type 2
50012877	4	ChEMBL_2625 (CHEMBL621537)	Binding affinity of compound was tested for 5-hydroxytryptamine 2A receptor
50012877	9	ChEMBL_201911 (CHEMBL808201)	Binding affinity of compound was tested for Sigma receptor type 1
50012877	3	ChEMBL_60673 (CHEMBL674044)	Binding affinity of compound was tested for Dopamine receptor D4
50012877	6	ChEMBL_61484 (CHEMBL672386)	Binding affinity of compound was tested for Dopamine receptor D2L
50012878	3	ChEMBL_144130 (CHEMBL750103)	Inhibition of [125I]PYY binding to human recombinant Neuropeptide Y receptor type 5 in LMtk-cells
50012878	1	ChEMBL_143992 (CHEMBL750830)	Inhibition of [125I]PYY binding human recombinant Neuropeptide Y receptor type 5 in LMtk-cells
50012878	2	ChEMBL_143984 (CHEMBL750822)	Antagonistic activity of compound was determined by its ability to inhibit NPY induced [Ca2+]i increases in CHO cells which expressed the recombinant human Neuropeptide Y receptor type 5
50012879	2	ChEMBL_144127 (CHEMBL750100)	Binding affinity to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand
50012879	1	ChEMBL_144136 (CHEMBL750714)	Binding affinity to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand
50012880	1	ChEMBL_42588 (CHEMBL653182)	Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay
50012880	4	ChEMBL_42591 (CHEMBL653184)	Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay (morn)
50012880	2	ChEMBL_42590 (CHEMBL653183)	Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay (MTM)
50012880	3	ChEMBL_42589 (CHEMBL856072)	Compound was evaluated for its inhibitory activity in a calcineurin inhibition assay (MOM)
50042344	4	ChEMBL_935306 (CHEMBL2318423)	Inhibition of human recombinant BACE-1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate by TR-FRET assay
50042344	2	ChEMBL_935308 (CHEMBL2318425)	Inhibition of BACE1 in HEK293 cells expressing modified BACE cleavage sequence of APP, NFEV and K612V mutation
50042344	1	ChEMBL_935309 (CHEMBL2318426)	Inhibition of BACE1 in human SHSY5Y cells expressing APP NFEV and wild-type alpha-cleavage site
50042348	2	ChEMBL_935933 (CHEMBL2318461)	Inhibition of human recombinant BACE using H-RE-(EDANS)EVNLDAEFK(DABCYL)R-OH as substrate preincubated for 1 hr before addition of substrate measured after 1 hr
50042374	7	ChEMBL_936300 (CHEMBL2320998)	Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay
50042374	6	ChEMBL_936301 (CHEMBL2320999)	Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay
50042374	8	ChEMBL_936302 (CHEMBL2321000)	Inhibition of human CDK4 after 30 mins by scintillation counting analysis
50042374	9	ChEMBL_936303 (CHEMBL2321001)	Inhibition of CDK1 (unknown origin)
50012882	2	ChEMBL_48660 (CHEMBL657275)	In vitro binding affinity for human Coagulation factor X
50012882	5	ChEMBL_209088 (CHEMBL813429)	Binding affinity towards thrombin
50012882	4	ChEMBL_213251 (CHEMBL821459)	Binding affinity towards trypsin
50012882	3	ChEMBL_48661 (CHEMBL657276)	Binding affinity (in vitro) towards human Coagulation factor X was determined at 10 mg/kg peroral dose
50012882	1	ChEMBL_48662 (CHEMBL657277)	Binding affinity (in vitro) towards human Coagulation factor X was determined at 5 mg/kg peroral dose
50012883	2	ChEMBL_140399 (CHEMBL746725)	Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]- SM-18400
50012883	6	ChEMBL_140539 (CHEMBL748767)	Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- DCKA (5,7-dichlorokynurenic acid) in rat cortical membranes
50012883	3	ChEMBL_140540 (CHEMBL748768)	Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- glycine in rat cortical membranes
50042374	10	ChEMBL_936304 (CHEMBL2321002)	Inhibition of human CDK2 after 30 mins by scintillation counting analysis
50042381	12	ChEMBL_936823 (CHEMBL2320457)	Inhibition of human recombinant PDE5A expressed in Sf9 cells by scintillation proximity assay
50042382	4	ChEMBL_936851 (CHEMBL2320733)	Inhibition of LTA4H in human whole blood assessed as decrease in LTB4 production
50042382	2	ChEMBL_936844 (CHEMBL2320478)	Inhibition of recombinant human LTA4H expressed in Sf9 cells using LTA4 as substrate incubated for 10 mins prior to substrate addition measured after 10 to 30 mins by enzyme immunoassay
50042421	31	ChEMBL_933480 (CHEMBL2319136)	Inhibition of CHK1 (unknown origin)
50042421	30	ChEMBL_933479 (CHEMBL2319135)	Inhibition of CDK2/cyclin A (unknown origin)
50042423	32	ChEMBL_933964 (CHEMBL2317782)	Inhibition of CDK6/cyclin D3 (unknown origin) in presence of ATP
50042423	34	ChEMBL_933963 (CHEMBL2317781)	Inhibition of CHK1 (unknown origin) in presence of ATP
50042423	33	ChEMBL_933965 (CHEMBL2317783)	Inhibition of CDK2/cyclin A (unknown origin) in presence of ATP
50042440	5	ChEMBL_935521 (CHEMBL2319812)	Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting
50042440	6	ChEMBL_935522 (CHEMBL2319813)	Inhibition of human recombinant CDK1 using histone H1 as substrate and [gamma33P]-ATP after 15 mins by scintillation counting
50042440	7	ChEMBL_935523 (CHEMBL2319814)	Inhibition of human recombinant CDK5 using histone H1 as substrate and [gamma33P]-ATP after 20 mins by scintillation counting
50042440	8	ChEMBL_935524 (CHEMBL2319815)	Inhibition of human recombinant GSK-3alpha using GS2 peptide as substrate and [gamma33P]-ATP after 12 mins by scintillation counting
50042487	3	ChEMBL_940177 (CHEMBL2328352)	Binding affinity to LXRbeta (unknown origin)
50042489	3	ChEMBL_940566 (CHEMBL2327340)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation
50042489	1	ChEMBL_940563 (CHEMBL2327181)	Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP
50042489	11	ChEMBL_940569 (CHEMBL2327343)	Inhibition of PKCalpha (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP
50042489	12	ChEMBL_940571 (CHEMBL2327345)	Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP
50042514	10	ChEMBL_939879 (CHEMBL2327101)	Inhibition of human recombinant renin using fluorescence-quenched (RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042514	3	ChEMBL_939881 (CHEMBL2327103)	Inhibition of human plasma renin
50042514	4	ChEMBL_939878 (CHEMBL2329603)	Binding affinity to human recombinant renin by NMR titration analysis
50042514	11	ChEMBL_939872 (CHEMBL2329597)	Inhibition of human recombinant BACE1 expressed in baculovirus-infected SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042515	12	ChEMBL_939906 (CHEMBL2327128)	Antagonist activity at KOR (unknown origin) by [35S]GTPgammaS binding assay
50042515	7	ChEMBL_940042 (CHEMBL2327851)	Displacement of [3H]DAMGO from MOR (unknown origin) expressed in CHO cells
50042515	6	ChEMBL_940039 (CHEMBL2327848)	Displacement of [3H]DPDPE from DOR (unknown origin) expressed in CHO cells
50042515	8	ChEMBL_940041 (CHEMBL2327850)	Displacement of [3H]diprenorphine from KOR (unknown origin) expressed in CHO cells
50042515	16	ChEMBL_939898 (CHEMBL2327120)	Binding affinity to human cloned DOR in presence of Na+/GDP
50042515	9	ChEMBL_939894 (CHEMBL2327116)	Antagonist activity at DOR (unknown origin) by [35S]GTPgammaS assay
50042516	3	ChEMBL_940077 (CHEMBL2328011)	Inhibition of recombinant BACE1 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorimetric analysis
50042516	4	ChEMBL_940076 (CHEMBL2328010)	Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorimetric analysis
50042532	12	ChEMBL_940941 (CHEMBL2330631)	Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide
50042532	11	ChEMBL_940940 (CHEMBL2330630)	Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells
50042532	16	ChEMBL_940945 (CHEMBL2330635)	Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP addition measured after 1 hr by ELISA
50042532	17	ChEMBL_940944 (CHEMBL2330634)	Inhibition of recombinant mTOR (unknown origin)
50042532	18	ChEMBL_940942 (CHEMBL2330632)	Inhibition of DNA-PK (unknown origin)
50042532	2	ChEMBL_940916 (CHEMBL2330562)	Inhibition of DNA-PK-mediated autophosphorylation at serine 2056 in human HT29 cells
50042532	19	ChEMBL_940943 (CHEMBL2330633)	Inhibition of PI3Kalpha (unknown origin)
50042534	9	ChEMBL_941193 (CHEMBL2329704)	Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042534	19	ChEMBL_941118 (CHEMBL2330915)	Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP
50042534	20	ChEMBL_941099 (CHEMBL2330896)	Inhibition of PKC eta (unknown origin)
50042534	21	ChEMBL_941115 (CHEMBL2330912)	Inhibition of PKC-theta in human PBMC cells assessed as inhibition of IL-2 after 24 hrs by bead-based FLISA assay
50042534	22	ChEMBL_941117 (CHEMBL2330914)	Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after 15 mins by spectrophotometry in presence of ATP
50042534	23	ChEMBL_941102 (CHEMBL2330899)	Inhibition of PKC beta1 (unknown origin)
50042535	5	ChEMBL_941203 (CHEMBL2329714)	Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis
50042535	7	ChEMBL_941202 (CHEMBL2329713)	Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042535	8	ChEMBL_941201 (CHEMBL2329712)	Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042535	3	ChEMBL_941200 (CHEMBL2329711)	Inhibition of [3H]GABA uptake at mouse GAT2 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042535	9	ChEMBL_941204 (CHEMBL2329715)	Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis
50042535	10	ChEMBL_941199 (CHEMBL2329710)	Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042543	6	ChEMBL_941704 (CHEMBL2330927)	Inhibition of human recombinant renin expressed in CHO cells using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate addition measured after 2 hrs by FRET-based enzymatic assay
50042543	12	ChEMBL_941697 (CHEMBL2330920)	Inhibition of human recombinant BACE-1 expressed in baculovirus-infected insect sf9 cells using RE( EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by FRET-based enzymatic assay
50042543	13	ChEMBL_941698 (CHEMBL2330921)	Inhibition of renin in human plasma using RE(EDANS)IHPFHLVIHTK(Dabcyl)R as substrate incubated for 1 hr prior to substrate addition measured after 2 hrs by FRET-based enzymatic assay
50042564	2	ChEMBL_940855 (CHEMBL2330435)	Inhibition of human alphaCaMK2 by CaM kinase 2 assay
50042573	17	ChEMBL_941273 (CHEMBL2329863)	Antagonist activity at EphA2 in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated EphA2 phosphorylation pretreated for 20 mins by sandwich ELISA
50042573	16	ChEMBL_941285 (CHEMBL2329875)	Inhibition of ephrin-A1-Fc binding to EphA2-Fc receptor (unknown origin) after 1 hr by ELISA
50042573	18	ChEMBL_941280 (CHEMBL2329870)	Displacement of ephrin-A1-Fc from EphA6 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	4	ChEMBL_941287 (CHEMBL2329911)	Displacement of ephrin-A1-Fc from EphA2 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	7	ChEMBL_941272 (CHEMBL2329862)	Antagonist activity at EphA2 receptor in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated cell retraction pretreated for 15 mins by fluorescence microscopy
50012892	2	ChEMBL_105692 (CHEMBL716473)	Agonistic activity towards Melanocortin 1 receptor in the Xenopus frog skin assay
50012892	1	ChEMBL_105696 (CHEMBL718210)	Antagonistic activity towards Melanocortin 1 receptor in Xenopus frog skin using competitive binding in the presence of 500 pM of alpha-melanocyte stimulating hormone
50012893	1	ChEMBL_87856 (CHEMBL877713)	Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)
50042576	9	ChEMBL_941623 (CHEMBL2330705)	Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate after 30 mins by fluorescence assay
50042576	3	ChEMBL_941547 (CHEMBL2330587)	Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50042576	10	ChEMBL_941620 (CHEMBL2330702)	Inhibition of human neuraminidase 4 using 4MU-NANA as substrate after 30 mins by fluorescence assay
50042601	3	ChEMBL_947399 (CHEMBL2345048)	Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP695 assessed as decrease in amyloid beta 40 level after 18 to 20 hrs by cellular assay
50042601	4	ChEMBL_947398 (CHEMBL2345047)	Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA
50042639	22	ChEMBL_947942 (CHEMBL2344163)	Inhibition of CDK4/cyclin-D1 (unknown origin)
50042639	23	ChEMBL_947944 (CHEMBL2344165)	Inhibition of CDK2/cyclin-A (unknown origin)
50042639	24	ChEMBL_947946 (CHEMBL2344167)	Inhibition of aurora-B (unknown origin)
50042662	3	ChEMBL_948055 (CHEMBL2345130)	Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay
50042691	23	ChEMBL_943684 (CHEMBL2344828)	Inhibition of FLT3 (unknown origin)
50042691	34	ChEMBL_943664 (CHEMBL2344395)	Inhibition of CHEK1 (unknown origin)
50042691	32	ChEMBL_943245 (CHEMBL2339406)	Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of STAT5 phosphorylation after 20 hrs by Western blotting analysis
50042691	35	ChEMBL_943246 (CHEMBL2339407)	Inhibition of FLT3 phosphorylation in human MV4-11 cells after 20 hrs by Western blotting analysis
50042691	36	ChEMBL_943668 (CHEMBL2344399)	Inhibition of aurora-B (unknown origin)
50042691	37	ChEMBL_943662 (CHEMBL2344393)	Inhibition of DMPK (unknown origin)
50042709	1	ChEMBL_948650 (CHEMBL2345166)	Inhibition of human recombinant ADAMTS5 using bovine nasal cartilage aggrecan as substrate assessed as inhibition of 1772-AGEG neopeptide formation incubated for 2 hrs prior to substrate addition measured after 2 hrs by Western blot analysis
50042709	8	ChEMBL_948657 (CHEMBL2345607)	Inhibition of human recombinant ADAMTS4 expressed in HEk293 cells using FAM-AEwLQGRPISIAK-TAMRA as substrate measured for 15 mins by fluorometric analysis
50042709	9	ChEMBL_948655 (CHEMBL2345605)	Inhibition of human recombinant ADAMTS5 expressed in HEK293 cells using Abz-TESEwSRGAIY-Dpa-KK as substrate measured for 2 hrs by fluorometric analysis
50042717	142	ChEMBL_944229 (CHEMBL2343436)	Inhibition of PKCalpha (unknown origin)
50042717	143	ChEMBL_944217 (CHEMBL2343424)	Inhibition of PKG1beta (unknown origin)
50042717	144	ChEMBL_944258 (CHEMBL2343908)	Inhibition of JNK1alpha1 (unknown origin)
50042717	145	ChEMBL_944219 (CHEMBL2343426)	Inhibition of PKD2 (unknown origin)
50042717	141	ChEMBL_944282 (CHEMBL2343932)	Inhibition of CDK5/P25 (unknown origin)
50042717	146	ChEMBL_944767 (CHEMBL2341968)	Inhibition of CHK1 (unknown origin)
50042717	147	ChEMBL_944774 (CHEMBL2341975)	Inhibition of DNA-PK (unknown origin)
50042717	148	ChEMBL_944286 (CHEMBL2343936)	Inhibition of BRSK1 (unknown origin)
50012895	3	ChEMBL_147242 (CHEMBL755510)	Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1
50042717	149	ChEMBL_944222 (CHEMBL2343429)	Inhibition of PKCeta (unknown origin)
50042717	150	ChEMBL_944836 (CHEMBL2342508)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay
50042717	76	ChEMBL_944226 (CHEMBL2343433)	Inhibition of PKCbeta2 (unknown origin)
50042727	2	ChEMBL_946301 (CHEMBL2345478)	Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by scintillation counting analysis in presence of [gamma32P]ATP relative to control
50042746	13	ChEMBL_943783 (CHEMBL2345796)	Inhibition of aurora-B (unknown origin)
50042746	11	ChEMBL_943791 (CHEMBL2345804)	Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay
50042746	1	ChEMBL_943793 (CHEMBL2345806)	Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 0.5 uM of ATP preincubated for 5 mins measured after 1 hr by HTRF assay
50042746	9	ChEMBL_943788 (CHEMBL2345801)	Inhibition of intracellular FAK autophosphorylation in human PC3 M-luc cells after 2 hrs
50042746	10	ChEMBL_943790 (CHEMBL2345803)	Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay
50042761	9	ChEMBL_947792 (CHEMBL2342211)	Agonist activity at rat recombinant MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr
50042761	5	ChEMBL_947789 (CHEMBL2342208)	Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50042761	2	ChEMBL_947794 (CHEMBL2342213)	Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50042761	10	ChEMBL_948257 (CHEMBL2340175)	Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells
50042761	11	ChEMBL_947793 (CHEMBL2342212)	Displacement of [3H]-diprenorphine from recombinant DOR (unknown origin) expressed in rat C6 cells
50042761	7	ChEMBL_948258 (CHEMBL2340176)	Displacement of [3H]-diprenorphine from rat recombinant MOR expressed in rat C6 cells after 2 hrs
50042761	12	ChEMBL_948259 (CHEMBL2340177)	Displacement of [3H]U69593 from KOR in Hartley guinea pig membrane
50012898	4	ChEMBL_51558 (CHEMBL661231)	Inhibition of Cytochrome P450 2C9
50012898	8	ChEMBL_139013 (CHEMBL744609)	In vitro inhibition of porcine mu-calpain.
50012898	7	ChEMBL_49926 (CHEMBL664295)	Inhibitory activity against Chymotrypsinogen
50012898	5	ChEMBL_44954 (CHEMBL661080)	Inhibitory activity against Cathepsin B
50012898	14	ChEMBL_49136 (CHEMBL661982)	Inhibitory activity against Coagulation factor X
50012898	9	ChEMBL_51375 (CHEMBL663706)	Inhibition of Cytochrome P450 1A2
50012898	11	ChEMBL_225584 (CHEMBL848043)	Inhibitory activity against thrombin
50012898	13	ChEMBL_213244 (CHEMBL821453)	Inhibitory activity against trypsin
50012898	12	ChEMBL_52067 (CHEMBL664807)	Inhibition of Cytochrome P450 3A4 as BFC substrate
50012898	10	ChEMBL_52068 (CHEMBL664808)	Inhibition of Cytochrome P450 3A4 as BQ substrate
50012898	1	ChEMBL_91010 (CHEMBL699869)	Inhibitory activity against interleukin 1-beta converting enzyme (IL-1 beta converting enzyme)
50012898	2	ChEMBL_48466 (CHEMBL663029)	Inhibitory activity against coagulation factor VII
50012898	3	ChEMBL_51526 (CHEMBL660386)	Inhibition of Cytochrome P450 2C19
50012898	6	ChEMBL_51744 (CHEMBL666059)	Inhibition of Cytochrome P450 2D6
50042774	1	ChEMBL_943428 (CHEMBL2341392)	Agonist activity at Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by liquid scintillation counting analysis
50042774	8	ChEMBL_943437 (CHEMBL2341881)	Displacement of [3H]DPDPE from Myc-tagged delta-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis
50042774	9	ChEMBL_943430 (CHEMBL2341394)	Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by liquid scintillation counting analysis
50042774	6	ChEMBL_943438 (CHEMBL2341882)	Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis
50012900	2	ChEMBL_47426 (CHEMBL662613)	Compound tested for inhibition of human liver cathepsin B
50012900	4	ChEBML_43863	Compound tested for inhibition of porcine calpain I
50012900	3	ChEBML_47426	Compound tested for inhibition of human liver cathepsin B
50012900	1	ChEMBL_43863 (CHEMBL658523)	Compound tested for inhibition of porcine calpain I
50042808	17	ChEMBL_954062 (CHEMBL2350830)	Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis
50042808	16	ChEMBL_954063 (CHEMBL2350831)	Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis
50042808	20	ChEMBL_954058 (CHEMBL2350826)	Inhibition of CDK2/Cyclin A (unknown origin)
50042808	18	ChEMBL_954061 (CHEMBL2350829)	Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis
50042808	19	ChEMBL_954060 (CHEMBL2350828)	Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis
50012902	1	ChEBML_208492	In vitro inhibitory activity against Thrombin
50012902	2	ChEBML_212856	In vitro inhibitory activity against Trypsin
50012902	3	ChEBML_48809	In vitro inhibitory activity against Factor Xa
50012903	2	ChEBML_212864	Inhibition of Trypsin
50012903	1	ChEBML_208511	Inhibition of Thrombin
50042808	24	ChEMBL_954047 (CHEMBL2350815)	Inhibition of PKCalpha (unknown origin)
50012909	3	ChEBML_139205	Displacement of [3H]pirenzepine from M1 receptor
50042808	23	ChEMBL_954055 (CHEMBL2350823)	Inhibition of human recombinant His6 tagged CDK6/Cyclin D3 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis
50042808	21	ChEMBL_954057 (CHEMBL2350825)	Inhibition of CDK7/cyclin H (unknown origin)
50042808	22	ChEMBL_954056 (CHEMBL2350824)	Inhibition of CDK9/CyclinT1 (unknown origin)
50042808	15	ChEMBL_954054 (CHEMBL2350822)	Inhibition of BCR/ABL (unknown origin)
50042829	28	ChEMBL_952155 (CHEMBL2350682)	Inhibition of RSK2 (unknown origin) using AKRRRLSSLRA as substrate after 60 mins by fluorescence assay
50042829	2	ChEMBL_951857 (CHEMBL2353270)	Inhibition of RSK2 (unknown origin)
50042829	29	ChEMBL_952141 (CHEMBL2350668)	Inhibition of Aurora B (unknown origin) after 10 mins by mobility shift assay
50042829	30	ChEMBL_952154 (CHEMBL2350681)	Inhibition of PKC alpha (unknown origin) using PIP2 as substrate after 1 hr by Kinase-Glo assay
50042831	6	ChEMBL_952454 (CHEMBL2353047)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50042831	9	ChEMBL_952455 (CHEMBL2353048)	Displacement of [3H]DAMGO from human delta opioid receptor expressed in CHO cell membrane after 3 hrs by liquid scintillation counting
50042831	8	ChEMBL_952444 (CHEMBL2353037)	Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042831	10	ChEMBL_952442 (CHEMBL2353035)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042831	11	ChEMBL_952446 (CHEMBL2353039)	Partial agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042839	11	ChEMBL_953680 (CHEMBL2352584)	Inhibition of ADAMTS-4 (unknown origin) by FRET method
50042839	3	ChEMBL_953668 (CHEMBL2352572)	Inhibition of ADAMTS-4 (unknown origin)
50042847	2	ChEMBL_950631 (CHEMBL2352381)	Inhibition of BACE-1 (unknown origin) by alpha screen assay
50042861	2	ChEMBL_951599 (CHEMBL2351274)	Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay
50042865	27	ChEMBL_952244 (CHEMBL2351303)	Inhibition of LYNA (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	37	ChEMBL_952243 (CHEMBL2351302)	Inhibition of N-terminal His6x-tagged aurora-B (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	18	ChEMBL_952236 (CHEMBL2351295)	Inhibition of N-terminal FLAG-tagged full length FAK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay
50042875	4	ChEMBL_954243 (CHEMBL2352293)	Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys-Leu peptide as substrate incubated for 15 mins prior to substrate addition measured after 2 hrs by HTRF assay
50042875	3	ChEMBL_954240 (CHEMBL2352015)	Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay
50012917	1	ChEBML_53186	Inhibitory activity against dihydropyrimidine dehydrogenase (DPD)
50042875	5	ChEMBL_954242 (CHEMBL2352017)	Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay
50042881	11	ChEMBL_950722 (CHEMBL2353183)	Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis
50042881	1	ChEMBL_951004 (CHEMBL2350618)	Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLISA technique
50012923	1	ChEBML_72365	Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA
50042884	7	ChEMBL_951966 (CHEMBL2354043)	Inhibition of CYP2A6 (unknown origin)-mediated coumarin 7-hydroxylation after 5 mins by spectrofluorimetric analysis
50042886	7	ChEMBL_952279 (CHEMBL2351585)	Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
50042886	6	ChEMBL_952281 (CHEMBL2351860)	Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis
50042886	5	ChEMBL_952282 (CHEMBL2351861)	Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis
50042886	10	ChEMBL_952278 (CHEMBL2351584)	Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
50042886	2	ChEMBL_952274 (CHEMBL2351580)	Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs
50042886	9	ChEMBL_952263 (CHEMBL2351569)	Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of CGP12177-induced [3H]cAMP accumulation
50042886	8	ChEMBL_952276 (CHEMBL2351582)	Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs
50042886	11	ChEMBL_952277 (CHEMBL2351583)	Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
50012928	1	ChEBML_539	In vitro inhibitory concentration required against 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) taken from pig liver
50012929	9	ChEMBL_154031 (CHEMBL759301)	In vitro binding affinity towards human peroxisome proliferator activated receptor delta (PPAR delta)
50042886	1	ChEMBL_952272 (CHEMBL2351578)	Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs
50012932	1	ChEBML_65494	Inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETA receptor
50012932	2	ChEBML_63699	Inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETB receptor
50012933	2	ChEBML_65486	In vitro inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETA receptor
50012933	1	ChEBML_63688	In vitro inhibitory concentration required against [125I]ET1 binding to membranes of CHO cells expressing human ETB receptor
50042987	2	ChEMBL_960948 (CHEMBL2388708)	Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down assay
50012936	1	ChEBML_162279	Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B)
50043033	12	ChEMBL_962651 (CHEMBL2388229)	Inhibition of DNA-dependent protein kinase (unknown origin)
50043033	1	ChEMBL_962688 (CHEMBL2388266)	Inhibition of PI3Kalpha in human MCF7-neo/Her2 cells assessed as reduction of AKT phosphorylation at S473
50043033	2	ChEMBL_962691 (CHEMBL2388269)	Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay
50043033	13	ChEMBL_962654 (CHEMBL2388232)	Inhibition of PI3Kalpha in human PC3 cells assessed as reduction of AKT phosphorylation
50012940	1	ChEMBL_122779 (CHEMBL730887)	Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria
50012940	2	ChEMBL_122782 (CHEMBL730890)	Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria
50043130	17	ChEMBL_967891 (CHEMBL2400707)	Inhibition of DNA-PK (unknown origin)
50043137	6	ChEMBL_966820 (CHEMBL2400821)	Displacement of [3H]7-OH-DPAT from human dopamine D2L receptor expressed in CHO cells
50043137	7	ChEMBL_966822 (CHEMBL2400823)	Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes
50043137	5	ChEMBL_966818 (CHEMBL2400819)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50043137	3	ChEMBL_966821 (CHEMBL2400822)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells
50043137	2	ChEMBL_966819 (CHEMBL2400820)	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cells
50012942	3	ChEMBL_202154 (CHEMBL808141)	Binding affinity towards serotonin transporter (SERT) by using [3H]paroxetine as radioligand
50012942	8	ChEMBL_201482 (CHEMBL804591)	In vitro competitive binding versus [3H]citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)
50012942	4	ChEMBL_201488 (CHEMBL805619)	In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)
50012942	2	ChEMBL_202167 (CHEMBL873260)	Binding affinity towards serotonin transporter (SERT)
50012942	5	ChEMBL_62813 (CHEMBL674125)	Binding affinity towards dopamine transporter (DAT) by using [3H]WIN-35428 as radioligand
50012942	6	ChEMBL_144972 (CHEMBL753705)	In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)
50012942	9	ChEMBL_144973 (CHEMBL873910)	In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)
50012942	7	ChEMBL_61668 (CHEMBL670046)	In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)
50012944	1	ChEMBL_28749 (CHEMBL641013)	Inhibitory activity of compound against acetylcholinesterase from human erythrocytes
50012944	2	ChEMBL_28781 (CHEMBL641691)	Inhibitory activity of compound against acetylcholinesterase from human erythrocytes
50012950	4	ChEBML_210239	Binding affinity towards testosterone receptor
50012950	7	ChEBML_159729	Displacement of [3H]progesterone from human Progesterone receptor A
50012950	8	ChEBML_201612	Inhibition of concanavalin A stimulated rat splenocyte proliferation
50043361	18	ChEMBL_978844 (CHEMBL2423446)	Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay
50016572	19	ChEBML_304477	Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (7.5-41.1)
50016572	16	ChEMBL_304469 (CHEMBL832685)	Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (0.1-0.3)
50016572	20	ChEMBL_304477 (CHEMBL832856)	Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (7.5-41.1)
50043361	17	ChEMBL_978840 (CHEMBL2423442)	Inhibition of CYP3A4 (unknown origin)
50043361	16	ChEMBL_978839 (CHEMBL2423441)	Inhibition of human ERG expressed in cisapride treated CHO cells by Ion Works assay
50016572	17	ChEMBL_304471 (CHEMBL832687)	Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (6.1-9.8)
50016572	18	ChEMBL_304470 (CHEMBL832686)	Effective concentration against retinoic acid receptor beta in COS-7 cells co-expressing DR5-tk-CAT reporter; value range (3.9-7.2)
50015107	8	ChEMBL_306664 (CHEMBL831437)	inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide
50015107	7	ChEMBL_304187 (CHEMBL829182)	Reduced farnesylation of H-ras transformed NIH3T3 cells
50012956	2	ChEMBL_202752 (CHEMBL809079)	Inhibitory activity against human soluble epoxide hydrolase
50012956	1	ChEMBL_202754 (CHEMBL810461)	Inhibitory activity against murine soluble epoxide hydrolase
50043361	2	ChEMBL_978834 (CHEMBL2423436)	Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells
50043361	3	ChEMBL_978845 (CHEMBL2423447)	Inhibition of DNA-PK (unknown origin)
50012959	1	ChEBML_157538	Binding affinity against HIV-Protease was determined
50012960	1	ChEBML_210222	In vitro inhibitory activity of compound against telomerase
50043361	19	ChEMBL_978822 (CHEMBL2423424)	Inhibition of PI-3K delta (unknown origin)
50043361	15	ChEMBL_978846 (CHEMBL2423448)	Competitive inhibition of DNA-PK (unknown origin) in the presence of ATP
50012967	9	ChEMBL_106181 (CHEMBL714600)	Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation
50043545	6	ChEMBL_989368 (CHEMBL2443403)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells
50043545	7	ChEMBL_989369 (CHEMBL2443404)	Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane
50012967	6	ChEMBL_105702 (CHEMBL718821)	Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation
50043545	5	ChEMBL_989366 (CHEMBL2443401)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50012969	2	ChEBML_159600	Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.
50012970	1	ChEBML_105151	Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay
50012970	2	ChEMBL_105150 (CHEMBL716780)	Compound tested for inhibition of Staphylococcus aureus MRS (methionyl tRNA synthetase) in aminoacylation assay
50043801	7	ChEMBL_1286293 (CHEMBL3111264)	Inhibition of human CYP3A4
50043801	1	ChEMBL_1286311 (CHEMBL3111438)	Inhibition of human ACC2 expressed in CHOK1 cells assessed as acetylCoA to malonylCoA conversion after 1 hr by LC-MS/MS analysis
50043801	8	ChEMBL_1286312 (CHEMBL3111439)	Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis
50043841	13	ChEMBL_1289880 (CHEMBL3119735)	Inhibition of recombinant human CYP3A4
50043841	2	ChEMBL_1289891 (CHEMBL3119746)	Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay
50043841	14	ChEMBL_1289888 (CHEMBL3119743)	Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in PTEN-deficient human PC3 cells after 0.5 to 2 hrs by Immunoblotting assay
50043841	4	ChEMBL_1289843 (CHEMBL3119513)	Inhibition of PI3Kbeta-mediated Akt phosphorylation at S473 in BRAF-V600E/PTEN-deficient human UACC62 cells
50012976	4	ChEBML_141035	Inhibition of the response to NMDA glutamate/glycine receptor NR2A subtype was determined using FLIPR assay
50015975	9	ChEMBL_304300 (CHEMBL830095)	Effective concentration against rat transient receptor potential vanilloid 1 receptor (n=6)
50015975	6	ChEMBL_306394 (CHEMBL828735)	Inhibition of rat transient receptor potential vanilloid 1 receptor (n=4)
50015975	20	ChEMBL_306652 (CHEMBL832989)	In vitro inhibition of anandamide activated human TRPV1 receptor in [Ca2+] influx assay
50012977	5	ChEMBL_61299 (CHEMBL673092)	D2 receptor functional activity was measured through reversal of quinpirole inhibited, forskolin stimulated cAMP production from whole cells
50015975	8	ChEMBL_306432 (CHEMBL828245)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=6)
50012977	4	ChEBML_60995	D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.
50012977	3	ChEBML_61299	D2 receptor functional activity was measured through reversal of quinpirole inhibited, forskolin stimulated cAMP production from whole cells
50015975	19	ChEMBL_306431 (CHEMBL828244)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=5)
50015975	158	ChEMBL_306433 (CHEMBL828246)	Inhibition of human transient receptor potential vanilloid 1 receptor (n=8)
50015975	157	ChEMBL_304314 (CHEMBL830109)	Effective concentration against human transient receptor potential vanilloid 1 receptor (n=2)
50015975	159	ChEMBL_306392 (CHEMBL828733)	Inhibition of rat transient receptor potential vanilloid 1 receptor (n=2)
50015975	150	ChEMBL_304316 (CHEMBL830111)	Effective concentration against human transient receptor potential vanilloid 1 receptor (n=6)
50015975	156	ChEMBL_304351 (CHEMBL839780)	Effective concentration against human transient receptor potential vanilloid 1 receptor (n=6); Inactive
50012978	1	ChEBML_39653	Inhibitory activity against CCR5 receptor in CHO cell membranes was determined using radio-ligand [125I]-RANTES binding assay
50015975	154	ChEMBL_303274 (CHEMBL828268)	Displacement of [3H]resiniferatoxin from human Transient receptor potential vanilloid 1 receptor; (n=2)
50015975	153	ChEMBL_306567 (CHEMBL832084)	In vitro inhibition of acid activated rat TRPV1 receptor in [Ca2+] influx assay
50015975	152	ChEMBL_304299 (CHEMBL830094)	Effective concentration against rat transient receptor potential vanilloid 1 receptor (n=4)
50015975	151	ChEMBL_306395 (CHEMBL828736)	Inhibition of rat transient receptor potential vanilloid 1 receptor (n=6)
50015975	155	ChEMBL_304297 (CHEMBL830092)	Effective concentration against rat transient receptor potential vanilloid 1 receptor (n=2)
50038921	318	ChEMBL_586312 (CHEMBL1060174)	Binding constant for ABL1(H396P) kinase domain
50038921	260	ChEMBL_586997 (CHEMBL1037545)	Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain
50012982	8	ChEBML_208863	In vitro inhibitory activity against serine protease thrombin
50012982	7	ChEBML_49131	In vitro binding affinity towards factor Xa
50012982	1	ChEBML_208072	Inhibitory activity against tissue plasminogen activator (tissue plasminogen activator)
50038921	319	ChEMBL_586691 (CHEMBL1062839)	Binding constant for EGFR(L858R) kinase domain
50012982	4	ChEBML_27859	Inhibitory activity against activated protein C (aPC)
50038921	320	ChEMBL_586694 (CHEMBL1062842)	Binding constant for IRAK3 kinase domain
50038921	321	ChEMBL_586726 (CHEMBL1050832)	Binding constant for SNF1LK kinase domain
50012982	9	ChEBML_155414	Inhibitory activity against Plasmin
50038921	208	ChEMBL_586856 (CHEMBL1051351)	Binding constant for RPS6KA1(Kin.Dom.1 - N-terminal) kinase domain
50012982	5	ChEBML_213041	Inhibitory activity against Trypsin
50038921	322	ChEMBL_586992 (CHEMBL1062782)	Binding constant for full-length PCTK3
50038921	133	ChEMBL_586360 (CHEMBL1061926)	Binding constant for RPS6KA6(Kin.Dom.2 - N-terminal) kinase domain
50038921	323	ChEMBL_586492 (CHEMBL1051260)	Binding constant for TYRO3 kinase domain
50038921	324	ChEMBL_586712 (CHEMBL1062859)	Binding constant for PRKG1 kinase domain
50038921	173	ChEMBL_587073 (CHEMBL1051286)	Binding constant for EGFR(L861Q) kinase domain
50038921	325	ChEMBL_586484 (CHEMBL1063737)	Binding constant for PAK1 kinase domain
50038921	326	ChEMBL_586562 (CHEMBL1060185)	Binding constant for CHEK1 kinase domain
50012983	3	ChEBML_69678	In vitro inhibitory activity against factor Xa
50012983	1	ChEMBL_208906 (CHEMBL814961)	In vitro inhibitory activity against serine protease thrombin
50012983	2	ChEBML_208864	In vitro inhibitory activity against serine protease thrombin
50038921	8	ChEMBL_586577 (CHEMBL1060198)	Binding constant for KIT(D816V) kinase domain
50038921	191	ChEMBL_586810 (CHEMBL1063789)	Binding constant for ABL1(E255K) kinase domain
50038921	103	ChEMBL_586819 (CHEMBL1063797)	Binding constant for EGFR(L747-S752del, P753S) kinase domain
50038921	233	ChEMBL_586996 (CHEMBL1062786)	Binding constant for RPS6KA2(Kin.Dom.2 - C-terminal) kinase domain
50038921	327	ChEMBL_586995 (CHEMBL1062785)	Binding constant for RPS6KA1(Kin.Dom.2 - C-terminal) kinase domain
50030392	11	ChEMBL_580003 (CHEMBL1051691)	Agonist activity at FPRL2 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50038921	328	ChEMBL_587216 (CHEMBL1060342)	Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain
50038921	23	ChEMBL_586841 (CHEMBL1051336)	Binding constant for KIT(V559D,T670I) kinase domain
50038921	329	ChEMBL_586349 (CHEMBL1061092)	Binding constant for PLK3 kinase domain
50038921	330	ChEMBL_586718 (CHEMBL1050831)	Binding constant for PIK3CA(E545K) kinase domain
50038921	331	ChEMBL_586973 (CHEMBL1061905)	Binding constant for MARK1 kinase domain
50038921	332	ChEMBL_586690 (CHEMBL1050829)	Binding constant for full-length CSNK1D
50038921	333	ChEMBL_586359 (CHEMBL1039275)	Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain
50038921	104	ChEMBL_587072 (CHEMBL1051285)	Binding constant for EGFR(L747-T751del,Sins) kinase domain
50012986	2	ChEMBL_155034 (CHEMBL765476)	Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in Sf9 cells.
50038921	49	ChEMBL_586680 (CHEMBL1062829)	Binding constant for ABL1(M351T) kinase domain
50012988	1	ChEBML_202046	Binding affinity towards Sigma-1 receptor
50012989	5	ChEMBL_214398 (CHEMBL819419)	Binding affinity towards VIa receptor
50012989	4	ChEBML_214716	Inhibitory activity of the human V2 receptor was assessed by the accumulation of cAMP in transfected HEK293 cells.
50038921	334	ChEMBL_587071 (CHEMBL1051284)	Binding constant for full-length CSNK1G3
50012989	3	ChEBML_214399	Binding affinity towards human V1a receptors
50038921	335	ChEMBL_586954 (CHEMBL1061140)	Binding constant for CLK4 kinase domain
50012989	1	ChEBML_214880	Binding affinity towards V2 receptor
50038921	336	ChEMBL_587178 (CHEMBL1060241)	Binding constant for full-length CSNK2A1
50038921	226	ChEMBL_586965 (CHEMBL1061898)	Binding constant for FLT3 kinase domain
50038921	337	ChEMBL_587189 (CHEMBL1037553)	Binding constant for MERTK kinase domain
50038921	338	ChEMBL_586443 (CHEMBL1043736)	Binding constant for full-length CDK3
50038921	339	ChEMBL_586451 (CHEMBL1063706)	Binding constant for DMPK kinase domain
50038921	340	ChEMBL_586454 (CHEMBL1063709)	Binding constant for EPHB2 kinase domain
50038921	193	ChEMBL_586323 (CHEMBL1061068)	Binding constant for EGFR(G719C) kinase domain
50038921	341	ChEMBL_586319 (CHEMBL1053760)	Binding constant for full-length DAPK2
50038921	342	ChEMBL_587220 (CHEMBL1061984)	Binding constant for TLK2 kinase domain
50038921	343	ChEMBL_586943 (CHEMBL1061131)	Binding constant for ABL2 kinase domain
50038921	344	ChEMBL_586599 (CHEMBL1061178)	Binding constant for full-length MST1
50038921	345	ChEMBL_587200 (CHEMBL1060261)	Binding constant for PRKCH kinase domain
50038921	253	ChEMBL_586957 (CHEMBL1061143)	Binding constant for EGFR(E746-A750del) kinase domain
50038921	346	ChEMBL_587000 (CHEMBL1062789)	Binding constant for YANK3 kinase domain
50038921	227	ChEMBL_586572 (CHEMBL1060194)	Binding constant for FLT3(D835H) kinase domain
50038921	347	ChEMBL_586970 (CHEMBL1037544)	Binding constant for LYN kinase domain
50038921	348	ChEMBL_587104 (CHEMBL1051314)	Binding constant for TGFBR1 kinase domain
50038921	349	ChEMBL_586569 (CHEMBL1060191)	Binding constant for EPHB1 kinase domain
50038921	220	ChEMBL_586321 (CHEMBL1060181)	Binding constant for full-length DLK
50038921	350	ChEMBL_586962 (CHEMBL1061896)	Binding constant for ERBB2 kinase domain
50038921	182	ChEMBL_586958 (CHEMBL1050839)	Binding constant for EGFR(S752-I759del) kinase domain
50038921	351	ChEMBL_587175 (CHEMBL1060239)	Binding constant for full-length CAMK1
50038921	7	ChEMBL_586576 (CHEMBL1060197)	Binding constant for KIT kinase domain
50038921	301	ChEMBL_586491 (CHEMBL1051259)	Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain
50012992	2	ChEBML_2457	Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand.
50012992	6	ChEMBL_3047 (CHEMBL620665)	Binding affinity towards 5-hydroxytryptamine 2C receptor using [125I]DOI as radioligand.
50038921	98	ChEMBL_586568 (CHEMBL1060190)	Binding constant for EGFR(G719S) kinase domain
50038921	24	ChEMBL_587199 (CHEMBL1060260)	Binding constant for PIK3CA kinase domain
50038921	352	ChEMBL_586368 (CHEMBL1041998)	Binding constant for TRKC kinase domain
50038921	353	ChEMBL_587074 (CHEMBL1051287)	Binding constant for EPHA2 kinase domain
50038921	25	ChEMBL_586968 (CHEMBL1061901)	Binding constant for KIT(V559D,V654A) kinase domain
50038921	354	ChEMBL_586951 (CHEMBL1061138)	Binding constant for full-length CDK2
50038921	355	ChEMBL_587096 (CHEMBL1037549)	Binding constant for PHKG2 kinase domain
50038921	1	ChEMBL_587067 (CHEMBL1051281)	Binding constant for BRAF kinase domain
50038921	356	ChEMBL_586685 (CHEMBL1062834)	Binding constant for AURKB kinase domain
50038921	95	ChEMBL_587063 (CHEMBL1051277)	Binding constant for ABL1(T315I) kinase domain
50038921	357	ChEMBL_587186 (CHEMBL1060248)	Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain
50038921	358	ChEMBL_587217 (CHEMBL1056938)	Binding constant for RPS6KA5(Kin.Dom.2 - N-terminal) kinase domain
50038921	359	ChEMBL_586333 (CHEMBL1061077)	Binding constant for KIT(V559D) kinase domain
50038921	360	ChEMBL_587212 (CHEMBL1061156)	Binding constant for PRKD2 kinase domain
50038921	361	ChEMBL_586723 (CHEMBL1062869)	Binding constant for RIPK1 kinase domain
50038921	362	ChEMBL_586729 (CHEMBL1062874)	Binding constant for TNIK kinase domain
50038921	363	ChEMBL_586573 (CHEMBL1050826)	Binding constant for FLT3(D835Y) kinase domain
50038921	364	ChEMBL_586446 (CHEMBL1063702)	Binding constant for CSF1R kinase domain
50038921	365	ChEMBL_586440 (CHEMBL1063697)	Binding constant for ACVR1 kinase domain
50038921	366	ChEMBL_586820 (CHEMBL1063798)	Binding constant for full-length ERK2
50038921	293	ChEMBL_586600 (CHEMBL1061179)	Binding constant for RET kinase domain
50038921	367	ChEMBL_586327 (CHEMBL1061072)	Binding constant for FES kinase domain
50038921	368	ChEMBL_586693 (CHEMBL1062841)	Binding constant for FGFR3(G697C) kinase domain
50038921	369	ChEMBL_586316 (CHEMBL1060177)	Binding constant for ARK5 kinase domain
50038921	370	ChEMBL_587219 (CHEMBL1061983)	Binding constant for full-length STK33
50038921	371	ChEMBL_586946 (CHEMBL1061133)	Binding constant for BMPR2 kinase domain
50038921	372	ChEMBL_586607 (CHEMBL1061185)	Binding constant for RPS6KA4(Kin.Dom.2 - N-terminal) kinase domain
50038921	373	ChEMBL_586720 (CHEMBL1062866)	Binding constant for PRKD3 kinase domain
50038921	86	ChEMBL_586322 (CHEMBL1060182)	Binding constant for EGFR kinase domain
50038921	53	ChEMBL_586476 (CHEMBL1063729)	Binding constant for FLT3(ITD) kinase domain
50038921	374	ChEMBL_586566 (CHEMBL1050825)	Binding constant for DDR1 kinase domain
50038921	375	ChEMBL_586682 (CHEMBL1062831)	Binding constant for ADCK3 kinase domain
50038921	50	ChEMBL_586681 (CHEMBL1062830)	Binding constant for ABL1(Q252H) kinase domain
50038921	302	ChEMBL_586942 (CHEMBL1061130)	Binding constant for ABL1(Y253F) kinase domain
50038921	287	ChEMBL_586941 (CHEMBL1061129)	Binding constant for ABL1 kinase domain
50038921	376	ChEMBL_586563 (CHEMBL1060186)	Binding constant for CSNK1G1 kinase domain
50038921	377	ChEMBL_587090 (CHEMBL1051302)	Binding constant for MARK4 kinase domain
50038921	378	ChEMBL_587208 (CHEMBL1061153)	Binding constant for full-length PHKG1
50038921	379	ChEMBL_586331 (CHEMBL1057717)	Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domain
50038921	380	ChEMBL_586495 (CHEMBL1051263)	Binding constant for YSK1 kinase domain
50038921	381	ChEMBL_586611 (CHEMBL1061189)	Binding constant for ZAP70 kinase domain
50038921	382	ChEMBL_586320 (CHEMBL1060180)	Binding constant for DDR2 kinase domain
50038921	383	ChEMBL_586596 (CHEMBL1061175)	Binding constant for INSRR kinase domain
50038921	384	ChEMBL_586462 (CHEMBL1049903)	Binding constant for MARK2 kinase domain
50038921	385	ChEMBL_586696 (CHEMBL1062844)	Binding constant for MAP3K4 kinase domain
50038921	386	ChEMBL_586574 (CHEMBL1060195)	Binding constant for INSR kinase domain
50038921	387	ChEMBL_587107 (CHEMBL1051317)	Binding constant for ZAK kinase domain
50038921	388	ChEMBL_586857 (CHEMBL1051352)	Binding constant for SgK085 kinase domain
50038921	389	ChEMBL_586967 (CHEMBL1061900)	Binding constant for full-length GSK3A
50038921	390	ChEMBL_586816 (CHEMBL1050834)	Binding constant for full-length CSNK1E
50038921	391	ChEMBL_586824 (CHEMBL1063801)	Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain
50038921	99	ChEMBL_586818 (CHEMBL1063796)	Binding constant for EGFR(L747-E749del, A750P) kinase domain
50038921	392	ChEMBL_586350 (CHEMBL1061093)	Binding constant for PTK2 kinase domain
50038921	393	ChEMBL_586827 (CHEMBL1063804)	Binding constant for full-length MKNK1
50038921	394	ChEMBL_586689 (CHEMBL1062838)	Binding constant for CIT kinase domain
50038921	395	ChEMBL_587172 (CHEMBL1060236)	Binding constant for full-length AURKC
50038921	140	ChEMBL_586457 (CHEMBL1063711)	Binding constant for FGFR3 kinase domain
50038921	396	ChEMBL_587069 (CHEMBL1051283)	Binding constant for CDK8 kinase domain
50038921	397	ChEMBL_586606 (CHEMBL1061184)	Binding constant for PIM2 kinase domain
50038921	398	ChEMBL_587191 (CHEMBL1060252)	Binding constant for NDR2 kinase domain
50038921	399	ChEMBL_586365 (CHEMBL1061931)	Binding constant for TLK1 kinase domain
50013004	2	ChEBML_51913	Inhibition of human Cytochrome P450 3A4
50013004	4	ChEBML_51726	Inhibition of human Cytochrome P450 2D6
50013004	1	ChEBML_51537	Inhibition of human cytochrome P450 isoform 2C9
50013004	3	ChEBML_51521	Inhibition of human Cytochrome P450 2C19
50013004	5	ChEBML_51363	Inhibition of human Cytochrome P450 1A2
50013006	5	ChEBML_101008	Inhibitory activity against recombinant human Lp-PLA2
50013006	1	ChEBML_52064	Inhibitory activity against CYP450 3A4 isozyme
50013006	2	ChEBML_51742	Inhibitory activity against Cytochrome P450 2D6
50013006	3	ChEMBL_101007 (CHEMBL707409)	Inhibitory activity against Lp-PLA2 in whole human plasma
50038921	400	ChEMBL_586812 (CHEMBL1063791)	Binding constant for BLK kinase domain
50038921	401	ChEMBL_587183 (CHEMBL1060245)	Binding constant for ERK4 kinase domain
50038921	402	ChEMBL_586354 (CHEMBL1061921)	Binding constant for PAK6 kinase domain
50038921	403	ChEMBL_587099 (CHEMBL1051310)	Binding constant for PKN2 kinase domain
50038921	404	ChEMBL_587215 (CHEMBL1061159)	Binding constant for PTK6 kinase domain
50038921	405	ChEMBL_586449 (CHEMBL1044652)	Binding constant for DAPK1 kinase domain
50038921	406	ChEMBL_587066 (CHEMBL1051280)	Binding constant for AKT3 kinase domain
50038921	407	ChEMBL_587077 (CHEMBL1051289)	Binding constant for MEK6 kinase domain
50038921	408	ChEMBL_586987 (CHEMBL1062777)	Binding constant for GAK kinase domain
50038921	409	ChEMBL_586821 (CHEMBL1063799)	Binding constant for ERK5 kinase domain
50038921	410	ChEMBL_587218 (CHEMBL1061982)	Binding constant for full-length SNF1LK2
50013011	1	ChEBML_65644	Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1
50038921	411	ChEMBL_586813 (CHEMBL1063792)	Binding constant for CAMK2D kinase domain
50038921	412	ChEMBL_586356 (CHEMBL1061923)	Binding constant for full-length PIP5K1A
50038921	413	ChEMBL_586969 (CHEMBL1061902)	Binding constant for full-length LIMK1
50038921	414	ChEMBL_587097 (CHEMBL1051308)	Binding constant for PIM1 kinase domain
50038921	415	ChEMBL_586998 (CHEMBL1062787)	Binding constant for SLK kinase domain
50038921	416	ChEMBL_586686 (CHEMBL1062835)	Binding constant for CAMK2A kinase domain
50038921	417	ChEMBL_587100 (CHEMBL1051311)	Binding constant for PLK1 kinase domain
50038921	418	ChEMBL_586334 (CHEMBL1061078)	Binding constant for LTK kinase domain
50038921	419	ChEMBL_587180 (CHEMBL1060243)	Binding constant for full-length DYRK1B
50038921	420	ChEMBL_586697 (CHEMBL1050830)	Binding constant for MKNK2 kinase domain
50038921	421	ChEMBL_586560 (CHEMBL1060183)	Binding constant for CAMK2B kinase domain
50038921	422	ChEMBL_586370 (CHEMBL1061935)	Binding constant for WEE1 kinase domain
50035367	16	ChEMBL_157947 (CHEMBL765914)	Binding affinity towards EP2 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	17	ChEMBL_157948 (CHEMBL765915)	Binding affinity towards EP3 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	18	ChEMBL_157946 (CHEMBL765913)	Binding affinity towards EP1 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	19	ChEMBL_157964 (CHEMBL767494)	Binding affinity towards FP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50013019	6	ChEMBL_145114 (CHEMBL751852)	Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells
50038921	423	ChEMBL_586843 (CHEMBL1051338)	Binding constant for LOK kinase domain
50038921	424	ChEMBL_587068 (CHEMBL1051282)	Binding constant for BRAF(V600E) kinase domain
50038921	425	ChEMBL_586947 (CHEMBL1061134)	Binding constant for full-length BMX
50038921	426	ChEMBL_586854 (CHEMBL1051349)	Binding constant for full-length PCTK2
50038921	427	ChEMBL_586571 (CHEMBL1060193)	Binding constant for ERK8 kinase domain
50038921	428	ChEMBL_586364 (CHEMBL1061930)	Binding constant for TIE1 kinase domain
50038921	429	ChEMBL_586832 (CHEMBL1063808)	Binding constant for full-length NEK7
50038921	430	ChEMBL_586564 (CHEMBL1060187)	Binding constant for DAPK3 kinase domain
50038921	160	ChEMBL_586328 (CHEMBL1061073)	Binding constant for FLT3(N841I) kinase domain
50038921	431	ChEMBL_587078 (CHEMBL1051290)	Binding constant for MRCKB kinase domain
50038921	432	ChEMBL_586730 (CHEMBL1062875)	Binding constant for TRKB kinase domain
50038921	433	ChEMBL_586859 (CHEMBL1051354)	Binding constant for TGFBR2 kinase domain
50038921	434	ChEMBL_586722 (CHEMBL1062868)	Binding constant for RAF1 kinase domain
50038921	435	ChEMBL_586488 (CHEMBL1051256)	Binding constant for PRKG2 kinase domain
50038921	436	ChEMBL_586815 (CHEMBL1063794)	Binding constant for CDC2L2 kinase domain
50038921	437	ChEMBL_586489 (CHEMBL1051257)	Binding constant for RET(M918T) kinase domain
50038921	438	ChEMBL_586367 (CHEMBL1061933)	Binding constant for TRKA kinase domain
50038921	439	ChEMBL_586999 (CHEMBL1062788)	Binding constant for full-length TNK1
50038921	440	ChEMBL_586458 (CHEMBL1063712)	Binding constant for ITK kinase domain
50038921	441	ChEMBL_586326 (CHEMBL1061071)	Binding constant for FER kinase domain
50038921	442	ChEMBL_587075 (CHEMBL1051288)	Binding constant for full-length LKB1
50038921	443	ChEMBL_586450 (CHEMBL1063705)	Binding constant for DCAMKL1 kinase domain
50038921	444	ChEMBL_586961 (CHEMBL1061895)	Binding constant for EPHA4 kinase domain
50038921	445	ChEMBL_586595 (CHEMBL1061174)	Binding constant for FLT1 kinase domain
50038921	446	ChEMBL_586700 (CHEMBL1062847)	Binding constant for NEK5 kinase domain
50038921	447	ChEMBL_586845 (CHEMBL1051340)	Binding constant for PIM3 kinase domain
50038921	448	ChEMBL_587177 (CHEMBL1060240)	Binding constant for full-length CLK3
50038921	449	ChEMBL_586719 (CHEMBL1062865)	Binding constant for PRKCD kinase domain
50038921	450	ChEMBL_586609 (CHEMBL1061187)	Binding constant for TXK kinase domain
50038921	451	ChEMBL_587103 (CHEMBL1037550)	Binding constant for TESK1 kinase domain
50038921	452	ChEMBL_586337 (CHEMBL1061081)	Binding constant for NEK9 kinase domain
50038921	453	ChEMBL_586485 (CHEMBL1051253)	Binding constant for PKN1 kinase domain
50038921	454	ChEMBL_587210 (CHEMBL1060341)	Binding constant for PLK4 kinase domain
50038921	455	ChEMBL_587106 (CHEMBL1051316)	Binding constant for full-length TSSK1
50013018	1	ChEBML_96942	In vitro inhibition of recombinant human leukotriene A4 hydrolase.
50038921	456	ChEMBL_586444 (CHEMBL1063700)	Binding constant for full-length CDK7
50038921	457	ChEMBL_586318 (CHEMBL1060179)	Binding constant for CAMK4 kinase domain
50038921	458	ChEMBL_586823 (CHEMBL1050835)	Binding constant for full-length IKK-epsilon
50038921	459	ChEMBL_586950 (CHEMBL1061137)	Binding constant for CAMK2G kinase domain
50038921	460	ChEMBL_587198 (CHEMBL1060259)	Binding constant for MYO3B kinase domain
50038921	461	ChEMBL_586329 (CHEMBL1061074)	Binding constant for full-length GSK3B
50038921	462	ChEMBL_586447 (CHEMBL1063703)	Binding constant for full-length CSNK1A1L
50038921	463	ChEMBL_586315 (CHEMBL1060176)	Binding constant for AMPK-alpha2 kinase domain
50038921	464	ChEMBL_587213 (CHEMBL1061157)	Binding constant for full-length PRKX
50038921	465	ChEMBL_586493 (CHEMBL1051261)	Binding constant for VEGFR2 kinase domain
50038921	466	ChEMBL_586494 (CHEMBL1051262)	Binding constant for YES kinase domain
50038921	467	ChEMBL_587182 (CHEMBL1037552)	Binding constant for full-length ERK1
50038921	468	ChEMBL_587174 (CHEMBL1060238)	Binding constant for full-length BTK
50038921	469	ChEMBL_586559 (CHEMBL1052133)	Binding constant for CAMK1D kinase domain
50038921	470	ChEMBL_586972 (CHEMBL1061904)	Binding constant for MAPKAPK5 kinase domain
50038921	471	ChEMBL_587176 (CHEMBL1037551)	Binding constant for full-length CDK5
50042186	9	ChEMBL_33756 (CHEMBL858097)	Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells
50038921	472	ChEMBL_586688 (CHEMBL1062837)	Binding constant for CDK11 kinase domain
50042186	7	ChEMBL_32580 (CHEMBL643418)	Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells
50042186	5	ChEMBL_34479 (CHEMBL651234)	Effective concentration showing agonistic activity towards Human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells was determined
50038921	473	ChEMBL_586988 (CHEMBL1062778)	Binding constant for MEK4 kinase domain
50038921	474	ChEMBL_586966 (CHEMBL1061899)	Binding constant for FYN kinase domain
50038921	475	ChEMBL_586974 (CHEMBL1061906)	Binding constant for full-length MEK1
50038921	476	ChEMBL_586565 (CHEMBL1060188)	Binding constant for DCAMKL3 kinase domain
50038921	477	ChEMBL_586717 (CHEMBL1062864)	Binding constant for full-length p38-beta
50013028	1	ChEBML_124636	Inhibition of human MAP p38-alpha kinase in vitro.
50038921	478	ChEMBL_587105 (CHEMBL1051315)	Binding constant for TIE2 kinase domain
50038921	479	ChEMBL_587062 (CHEMBL1037546)	Binding constant for AAK1 kinase domain
50013029	1	ChEMBL_223551 (CHEMBL845857)	Inhibitory concentration was measured against Cyclooxygenase-2 in human whole blood
50038921	480	ChEMBL_586944 (CHEMBL1061132)	Binding constant for full-length ADCK4
50038921	481	ChEMBL_586952 (CHEMBL1050838)	Binding constant for full-length CLK1
50038921	482	ChEMBL_587190 (CHEMBL1060251)	Binding constant for MRCKA kinase domain
50038921	483	ChEMBL_586853 (CHEMBL1051348)	Binding constant for PAK7/PAK5 kinase domain
50038921	484	ChEMBL_586994 (CHEMBL1062784)	Binding constant for full-length PIP5K2B
50038921	485	ChEMBL_586490 (CHEMBL1051258)	Binding constant for full-length RIOK1
50038921	486	ChEMBL_586487 (CHEMBL1051255)	Binding constant for PRKCQ kinase domain
50038921	487	ChEMBL_587091 (CHEMBL1051303)	Binding constant for PCTK1 kinase domain
50038921	488	ChEMBL_586346 (CHEMBL1061090)	Binding constant for MAPKAPK2 kinase domain
50038921	489	ChEMBL_586581 (CHEMBL1061160)	Binding constant for MYLK2 kinase domain
50038921	490	ChEMBL_586721 (CHEMBL1062867)	Binding constant for PRKR kinase domain
50038921	491	ChEMBL_586725 (CHEMBL1062871)	Binding constant for SNARK kinase domain
50013030	3	ChEBML_105091	In vitro receptor binding at MT1 (Melatonin) receptor.
50013030	1	ChEBML_105255	In vitro receptor binding at MT2 (Melatonin) receptor.
50013030	2	ChEMBL_104609 (CHEMBL712996)	Effective concentration against human MT2 (Melatonin) receptor stably expressed in NIH3T3 cells in adenylyl cyclase assay
50013031	2	ChEMBL_78000 (CHEMBL688486)	Inhibition of amyloid beta protein production in transfected H4 (neuroglioma) cells expressing APF constructs.
50038921	492	ChEMBL_586578 (CHEMBL1060199)	Binding constant for MAP3K5 kinase domain
50038921	493	ChEMBL_586960 (CHEMBL1061145)	Binding constant for EPHA3 kinase domain
50038921	494	ChEMBL_586453 (CHEMBL1063708)	Binding constant for EPHA8 kinase domain
50038921	495	ChEMBL_586831 (CHEMBL1063807)	Binding constant for NEK2 kinase domain
50038921	496	ChEMBL_586842 (CHEMBL1051337)	Binding constant for LCK kinase domain
50038921	497	ChEMBL_586332 (CHEMBL1061076)	Binding constant for full-length JNK1
50038921	498	ChEMBL_586964 (CHEMBL1050840)	Binding constant for FGR kinase domain
50038921	499	ChEMBL_586597 (CHEMBL1061176)	Binding constant for MAP4K1 kinase domain
50038921	500	ChEMBL_586324 (CHEMBL1061069)	Binding constant for EPHA5 kinase domain
50038921	501	ChEMBL_586460 (CHEMBL1063714)	Binding constant for full-length LIMK2
50038921	502	ChEMBL_586570 (CHEMBL1060192)	Binding constant for EPHB4 kinase domain
50038921	503	ChEMBL_586692 (CHEMBL1062840)	Binding constant for FGFR1 kinase domain
50038921	504	ChEMBL_586858 (CHEMBL1051353)	Binding constant for STK16 kinase domain
50038921	505	ChEMBL_586313 (CHEMBL1057608)	Binding constant for ACVR2B kinase domain
50013034	1	ChEMBL_67668 (CHEMBL673861)	Binding affinity for Estrogen receptor alpha
50013035	1	ChEMBL_51874 (CHEMBL666529)	In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)
50013036	2	ChEMBL_88053 (CHEMBL693216)	Inhibitory activity against Human Hormone-sensitive lipase (HSL) expressed in the baculovirus was determined by HSL [14 C] cholesteryl oleate assay
50013036	1	ChEMBL_88054 (CHEMBL693217)	Inhibitory activity against human hormone-sensitive lipase (HSL) expressed in the baculovirus was determined by p-nitrophenyl butyrate (PNPB) assay
50038921	506	ChEMBL_586335 (CHEMBL1061079)	Binding constant for full-length MEK2
50013037	1	ChEMBL_106192 (CHEMBL714610)	In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells
50013037	6	ChEMBL_106522 (CHEMBL713026)	In vitro effective concentration towards human Melanocortin 5 receptor (MC5R) was determined by a SPA-based cAMP assay in melanoma cells
50013037	7	ChEMBL_105834 (CHEMBL716493)	In vitro inhibitory concentration against human Melanocortin 1 receptor (MC1R)
50013037	2	ChEMBL_106191 (CHEMBL879947)	In vitro effective concentration towards human Melanocortin 4 receptor (MC4R) was determined by a SPA-based cAMP assay in melanoma cells
50038921	507	ChEMBL_587101 (CHEMBL1051312)	Binding constant for RIPK2 kinase domain
50038921	508	ChEMBL_586441 (CHEMBL1063698)	Binding constant for BIKE kinase domain
50013038	2	ChEMBL_105080 (CHEMBL711325)	Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1A
50013038	4	ChEMBL_105261 (CHEMBL710751)	Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand
50013038	3	ChEMBL_105248 (CHEMBL709923)	Agonist potency determined by [35S]GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1B
50013038	1	ChEMBL_105097 (CHEMBL714104)	Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand
50013040	1	ChEMBL_225394 (CHEMBL847432)	Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis
50013041	2	ChEMBL_41577 (CHEMBL654871)	Inhibitory concentration against rat brain butyrylcholinesterase (BuChE) was determined using Ellman's method
50013041	1	ChEMBL_29222 (CHEMBL641388)	Inhibitory activity against rat brain total Acetylcholinesterase (AChE) was determined using Ellman's method
50013042	1	ChEMBL_157581 (CHEMBL763331)	Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP
50038921	509	ChEMBL_586610 (CHEMBL1061188)	Binding constant for TYK2(Kin.Dom.2/JH1 - catalytic) kinase domain
50038921	510	ChEMBL_586463 (CHEMBL1063716)	Binding constant for MLK1 kinase domain
50038921	511	ChEMBL_586357 (CHEMBL1061924)	Binding constant for full-length RIOK3
50038921	512	ChEMBL_586448 (CHEMBL1063704)	Binding constant for full-length CSNK1G2
50038921	513	ChEMBL_586604 (CHEMBL1061183)	Binding constant for full-length p38-gamma
50038921	514	ChEMBL_587214 (CHEMBL1061158)	Binding constant for full-length PTK2B
50038921	515	ChEMBL_587065 (CHEMBL1051279)	Binding constant for AKT1 kinase domain
50038921	516	ChEMBL_586728 (CHEMBL1062873)	Binding constant for STK36 kinase domain
50038921	517	ChEMBL_586963 (CHEMBL1061897)	Binding constant for ERBB4 kinase domain
50038921	518	ChEMBL_586955 (CHEMBL1061141)	Binding constant for full-length CSNK2A2
50038921	519	ChEMBL_586456 (CHEMBL1048161)	Binding constant for FGFR2 kinase domain
50038921	520	ChEMBL_586828 (CHEMBL1063805)	Binding constant for MST2 kinase domain
50038921	521	ChEMBL_587173 (CHEMBL1060237)	Binding constant for AXL kinase domain
50038921	522	ChEMBL_586348 (CHEMBL1039274)	Binding constant for full-length PKAC-beta
50038921	523	ChEMBL_586855 (CHEMBL1051350)	Binding constant for full-length PFTK1
50038921	524	ChEMBL_587171 (CHEMBL1060235)	Binding constant for ANKK1 kinase domain
50038921	525	ChEMBL_586361 (CHEMBL1061927)	Binding constant for SRC kinase domain
50038921	526	ChEMBL_586683 (CHEMBL1062832)	Binding constant for AKT2 kinase domain
50038921	527	ChEMBL_586605 (CHEMBL1050828)	Binding constant for PAK2 kinase domain
50038921	528	ChEMBL_586478 (CHEMBL1063731)	Binding constant for MET kinase domain
50038921	529	ChEMBL_586840 (CHEMBL1051335)	Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain
50038921	530	ChEMBL_586355 (CHEMBL1061922)	Binding constant for full-length PDPK1
50038921	531	ChEMBL_586699 (CHEMBL1062846)	Binding constant for NEK1 kinase domain
50038921	532	ChEMBL_587187 (CHEMBL1060249)	Binding constant for LATS2 kinase domain
50038921	533	ChEMBL_586949 (CHEMBL1061136)	Binding constant for full-length BRSK2
50038921	534	ChEMBL_586580 (CHEMBL1050827)	Binding constant for MLK3 kinase domain
50038921	535	ChEMBL_586959 (CHEMBL1061144)	Binding constant for EPHA1 kinase domain
50038921	536	ChEMBL_586822 (CHEMBL1063800)	Binding constant for FGFR4 kinase domain
50038921	537	ChEMBL_587181 (CHEMBL1060244)	Binding constant for EPHA6 kinase domain
50038921	538	ChEMBL_586833 (CHEMBL1063809)	Binding constant for full-length NLK
50038921	539	ChEMBL_586363 (CHEMBL1061929)	Binding constant for TEC kinase domain
50038921	540	ChEMBL_587098 (CHEMBL1051309)	Binding constant for PKAC-alpha kinase domain
50038921	541	ChEMBL_586698 (CHEMBL1062845)	Binding constant for MST3 kinase domain
50038921	542	ChEMBL_586811 (CHEMBL1063790)	Binding constant for ACVRL1 kinase domain
50038921	543	ChEMBL_586687 (CHEMBL1062836)	Binding constant for CAMKK1 kinase domain
50038921	544	ChEMBL_586561 (CHEMBL1060184)	Binding constant for CDC2L1 kinase domain
50038921	545	ChEMBL_586844 (CHEMBL1051339)	Binding constant for MUSK kinase domain
50038921	546	ChEMBL_586695 (CHEMBL1062843)	Binding constant for LATS1 kinase domain
50038921	547	ChEMBL_587170 (CHEMBL1060234)	Binding constant for ACVR2A kinase domain
50038921	548	ChEMBL_586330 (CHEMBL1061075)	Binding constant for IGF1R kinase domain
50038921	549	ChEMBL_586989 (CHEMBL1062779)	Binding constant for full-length PAK3
50038921	550	ChEMBL_586825 (CHEMBL1063802)	Binding constant for full-length MARK3
50038921	551	ChEMBL_586814 (CHEMBL1063793)	Binding constant for CAMKK2 kinase domain
50038921	552	ChEMBL_586684 (CHEMBL1062833)	Binding constant for AURKA kinase domain
50038921	553	ChEMBL_586948 (CHEMBL1061135)	Binding constant for BRSK1 kinase domain
50038921	554	ChEMBL_586347 (CHEMBL1061091)	Binding constant for full-length p38-alpha
50038921	555	ChEMBL_586575 (CHEMBL1060196)	Binding constant for full-length JNK2
50013063	3	ChEBML_148834	Ability to displace [3H]DAMGO from mu opioid receptor
50013063	1	ChEBML_146889	Ability to displace [3H]-deltorphin II from delta opioid receptor
50013063	2	ChEBML_145759	Ability to inhibit electrically induced contractions of mouse vas deferens having delta opioid receptors tested in vitro
50013064	1	ChEBML_234	Inhibition of 5'-inosine monophosphate dehydrogenase type II (IMPDH II)
50013064	2	ChEBML_233	Inhibition of 5'-inosine monophosphate dehydrogenase type I (IMPDH I)
50013065	3	ChEMBL_153535 (CHEMBL765404)	In vitro binding affinity for human PPAR alpha in SPA
50038921	556	ChEMBL_586956 (CHEMBL1061142)	Binding constant for DRAK1 kinase domain
50038921	557	ChEMBL_587184 (CHEMBL1060246)	Binding constant for FLT4 kinase domain
50038921	558	ChEMBL_586830 (CHEMBL1050836)	Binding constant for MYLK kinase domain
50038921	559	ChEMBL_586366 (CHEMBL1061932)	Binding constant for full-length TNNI3K
50013068	3	ChEBML_71792	Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated peptide of C-terminal of human K-Ras
50013068	2	ChEBML_69994	Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ras CVIM
50038921	560	ChEMBL_586486 (CHEMBL1051254)	Binding constant for PRKCE kinase domain
50038921	561	ChEMBL_586369 (CHEMBL1061934)	Binding constant for TTK kinase domain
50013070	1	ChEBML_37242	Agonistic activity against human Beta-1 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing beta3-AR
50038921	562	ChEMBL_586358 (CHEMBL1061925)	Binding constant for ROS1 kinase domain
50038921	563	ChEMBL_587095 (CHEMBL1051307)	Binding constant for PAK4 kinase domain
50038921	564	ChEMBL_586314 (CHEMBL1060175)	Binding constant for AMPK-alpha1 kinase domain
50013071	8	ChEBML_106815	Agonist activity at human melanocortin receptor (hMC1R).
50013071	7	ChEBML_106817	Agonistic activity against human melanocortin receptor (hMC1R) for cAMP accumulation
50038921	565	ChEMBL_586445 (CHEMBL1063701)	Binding constant for full-length CDK9
50038921	566	ChEMBL_586608 (CHEMBL1061186)	Binding constant for SYK kinase domain
50038921	567	ChEMBL_587102 (CHEMBL1051313)	Binding constant for full-length SRPK1
50038921	568	ChEMBL_587211 (CHEMBL1061155)	Binding constant for PRKD1 kinase domain
50038921	569	ChEMBL_586336 (CHEMBL1061080)	Binding constant for MYO3A kinase domain
50038921	570	ChEMBL_586325 (CHEMBL1061070)	Binding constant for EPHB3 kinase domain
50038921	571	ChEMBL_586317 (CHEMBL1060178)	Binding constant for CAMK1G kinase domain
50038921	572	ChEMBL_586459 (CHEMBL1063713)	Binding constant for JNK3 kinase domain
50013073	4	ChEMBL_36298 (CHEMBL648258)	Inhibitory activity against Androgen receptor in mouse fibroblast L929 cells
50013073	3	ChEMBL_70946 (CHEMBL683926)	Effective concentration against glucocorticoid receptor in human lung A549 cells
50013073	5	ChEBML_36297	Effective concentration against Androgen receptor in mouse fibroblast L929 cells
50013073	2	ChEBML_70946	Effective concentration against glucocorticoid receptor in human lung A549 cells
50013077	1	ChEBML_210083	Inhibitory activity against telomerase
50013078	1	ChEBML_123010	Inhibitory activity against microsomal triglyceride transfer protein (MTP)
50013079	1	ChEBML_40424	Binding affinity towards human bradykinin receptor B2
50013080	1	ChEBML_235	Inhibitory activity against inosine 5'-inosine monophosphate dehydrogenase type II (IMPDH II)
50013081	1	ChEBML_208518	Inhibitory activity against human thrombin
50013082	4	ChEMBL_71955 (CHEMBL685886)	In vitro inhibition of geranylgeranyltransferase-1
50013082	2	ChEBML_69990	In vitro inhibition of farnesyltransferase
50013082	5	ChEMBL_38702 (CHEMBL651598)	Inhibition of Ras farnesylation in Human Ha-Ras oncogene-transformed BALB/c 3T3 cells (EJ3 cells)
50013085	1	ChEBML_201833	Binding affinity towards rat serotonin transporter (SERT)
50013085	2	ChEBML_62473	Binding affinity towards dopamine transporter (DAT)
50038921	573	ChEMBL_587076 (CHEMBL1037548)	Binding constant for MAP4K4 kinase domain
50013087	12	ChEMBL_106166 (CHEMBL718861)	Inhibitory activity against hMC1R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand
50038921	574	ChEMBL_587209 (CHEMBL1061154)	Binding constant for PKMYT1 kinase domain
50013087	2	ChEBML_106348	Inhibitory activity against hMC4R (human melanocortin receptor) using [125I]-[Nle4] alpha-MSH as radioligand
50038921	575	ChEMBL_586953 (CHEMBL1061139)	Binding constant for CLK2 kinase domain
50038921	576	ChEMBL_587188 (CHEMBL1060250)	Binding constant for full-length MEK3
50013088	2	ChEMBL_201611 (CHEMBL807574)	Inhibitory activity against spleen tyrosine kinase (SYK)
50038921	577	ChEMBL_586567 (CHEMBL1060189)	Binding constant for full-length DRAK2
50038921	578	ChEMBL_586945 (CHEMBL1050837)	Binding constant for ALK kinase domain
50038921	579	ChEMBL_586461 (CHEMBL1063715)	Binding constant for MAP4K3 kinase domain
50038921	580	ChEMBL_586817 (CHEMBL1063795)	Binding constant for DCAMKL2 kinase domain
50013091	8	ChEBML_201827	Binding affinity towards 5-HT transporter in rat cerebral cortex membranes using [3H]paroxetine as radioligand
50038921	581	ChEMBL_586860 (CHEMBL1051355)	Binding constant for TNK2 kinase domain
50013091	4	ChEBML_714	Binding affinity towards 5-HT 7 receptor in rat hypothalamus membranes using [3H]5-CT as radioligand
50013091	2	ChEBML_2630	Binding affinity towards 5-HT 2A receptor in rat cerebral frontal cortex membranes using [3H]ketanserin as radioligand
50013091	7	ChEBML_3338	Binding affinity towards 5-HT 4 receptor in rat striatum membranes using [3H]GR-113808 as radioligand
50013091	1	ChEBML_62251	Binding affinity towards dopamine D2 receptor in rat striatum membranes using [3H]raclopride as radioligand
50013094	1	ChEBML_208513	Inhibition of human thrombin
50013094	2	ChEBML_212866	Inhibitory activity against human trypsin
50013095	1	ChEBML_208514	Inhibitory activity against human thrombin
50013096	1	ChEBML_157489	Inhibitory activity against purified fusion of maltose binding with PHD1 as enzyme and (HIF) human prolyl hydroxylases as substrate
50038921	582	ChEMBL_586579 (CHEMBL1060200)	Binding constant for MLCK kinase domain
50038921	583	ChEMBL_587070 (CHEMBL1037547)	Binding constant for full-length CSK
50038921	584	ChEMBL_586442 (CHEMBL1063699)	Binding constant for BMPR1A kinase domain
50038921	585	ChEMBL_586452 (CHEMBL1063707)	Binding constant for EPHA7 kinase domain
50013098	3	ChEMBL_69850 (CHEMBL680440)	In vitro inhibition of bovine Farnesyl transferase
50013099	3	ChEBML_49120	In vitro inhibitory activity against zymogen coagulation factor (fXa)
50013099	1	ChEBML_48455	In vitro inhibitory activity against coagulation factor VII (fVIIa)
50013099	2	ChEBML_208907	In vitro inhibitory activity against thrombin
50013101	2	ChEBML_67027	Binding affinity for Estrogen receptor alpha
50013101	1	ChEMBL_67166 (CHEMBL681150)	Binding affinity for Estrogen receptor alpha
50013102	7	ChEMBL_217962 (CHEMBL824081)	Binding affinity for alphaV-beta5 vitronectin receptor
50013102	10	ChEMBL_217804 (CHEMBL823260)	Binding affinity for alphaV-beta3 vitronectin receptor
50013102	12	ChEMBL_217803 (CHEMBL823259)	Inhibition of HEK 293 cell adhesion to vitronectin by human alphaV-beta3 integrin
50013102	8	ChEMBL_218197 (CHEMBL824546)	Binding affinity for alphaIIb-beta3 vitronectin receptor
50013102	11	ChEMBL_217802 (CHEMBL823258)	Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells
50013102	9	ChEMBL_218196 (CHEMBL824545)	Binding affinity for alphaIIb-beta3 vitronectin receptor
50013103	3	ChEBML_106642	Inhibitory activity against matrix metalloprotease 13 (MMP-13).
50013103	1	ChEBML_212598	Inhibitory activity against TACE.
50013103	2	ChEBML_106303	Inhibitory activity against matrix metalloprotease 1 (MMP-1).
50038921	586	ChEMBL_586724 (CHEMBL1062870)	Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain
50013104	1	ChEBML_197827	In vitro inhibitory activity against serine protease Urokinase
50013104	4	ChEBML_155429	In vitro inhibitory activity against serine protease Plasmin
50013104	3	ChEBML_197819	In vitro inhibitory activity against serine protease Elastase
50013104	8	ChEMBL_208521 (CHEMBL813616)	Inhibitory activity against alpha-human thrombin
50013104	7	ChEBML_213080	In vitro inhibitory activity against serine protease Trypsin
50013104	9	ChEMBL_49791 (CHEMBL663012)	In vitro inhibitory activity against serine protease Chymotrypsin
50013104	6	ChEBML_49119	In vitro inhibitory activity against serine protease FXa
50013105	4	ChEMBL_145987 (CHEMBL750581)	Binding affinity towards Opioid receptor kappa 1 using [3H]diprenorphine as radioligand in Chinese hamster ovary cells expressing cloned opioid receptors
50013105	3	ChEMBL_149456 (CHEMBL758207)	Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO as radioligand in Chinese hamster ovary cells expressing cloned opioid receptors
50013105	1	ChEMBL_145061 (CHEMBL883421)	Binding affinity towards Opioid receptor delta 1 using [3H]DPDPE as radioligand in Chinese hamster ovary cells expressing cloned opioid receptors
50013105	2	ChEMBL_145062 (CHEMBL753993)	Binding affinity towards Opioid receptor delta 1 using [3H]DPDPE as radioligand in Chinese hamster ovary cells expressing cloned opioid receptors
50038921	587	ChEMBL_587092 (CHEMBL1051304)	Binding constant for PDGFRB kinase domain
50038921	588	ChEMBL_586971 (CHEMBL1061903)	Binding constant for MAP4K5 kinase domain
50013109	1	ChEMBL_208169 (CHEMBL814535)	Binding affinity towards human thrombin.
50013110	3	ChEMBL_154213 (CHEMBL759458)	Receptor binding affinity to human Peroxisome proliferator activated receptor gamma against [3H]ragalitazar radioligand
50013110	1	ChEMBL_153240 (CHEMBL764652)	Agonistic activity for Peroxisome proliferator activated receptor alpha
50013110	4	ChEMBL_153539 (CHEMBL765408)	Receptor binding affinity to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand
50013110	2	ChEMBL_154051 (CHEMBL760856)	Agonistic activity for human Peroxisome proliferator activated receptor gamma
50038921	589	ChEMBL_587185 (CHEMBL1060247)	Binding constant for FRK kinase domain
50038921	590	ChEMBL_586598 (CHEMBL1061177)	Binding constant for MLK2 kinase domain
50038921	591	ChEMBL_586829 (CHEMBL1063806)	Binding constant for full-length MST4
50038921	592	ChEMBL_586993 (CHEMBL1062783)	Binding constant for PDGFRA kinase domain
50013112	22	ChEMBL_221314 (CHEMBL841204)	Inhibition of p56 Lck tyrosine kinase
50013112	17	ChEMBL_88548 (CHEMBL702471)	Inhibition of IL-2-inducible T-cell kinase (Itk kinase) was measured using DELFIA (dissociation enhanced lanthanide fluoroimmunoassay)
50013112	4	ChEMBL_100229 (CHEMBL710958)	Inhibition of MAP kinase-activated protein kinase 1b/MAP kinase-activated protein kinase 2
50013112	38	ChEMBL_200938 (CHEMBL810846)	Inhibition of Serum/glucocorticoid regulated kinase
50013112	28	ChEMBL_51160 (CHEMBL666108)	Inhibition of Cyclin-dependent kinase 4
50013112	12	ChEMBL_217773 (CHEMBL824035)	Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP-70)
50038921	593	ChEMBL_587179 (CHEMBL1060242)	Binding constant for DMPK2 kinase domain
50013112	32	ChEMBL_41056 (CHEMBL648220)	Inhibition of Brutons tyrosine kinase
50013112	13	ChEMBL_103939 (CHEMBL714978)	Inhibition of MSK-1 kinase
50013112	24	ChEMBL_71273 (CHEMBL685267)	Inhibition of Glycogen synthase kinase-3 beta
50013112	31	ChEMBL_161605 (CHEMBL769145)	Inhibition of Protein kinase HER-2
50013112	25	ChEMBL_67209 (CHEMBL678294)	Inhibition of EGFR kinase
50013112	15	ChEMBL_202770 (CHEMBL808766)	Inhibition of Src protein tyrosine kinase
50013112	21	ChEMBL_206956 (CHEMBL814843)	Inhibition of Syk protein tyrosine kinase
50013112	9	ChEMBL_90392 (CHEMBL698195)	Inhibition of IKK beta kinase
50013112	36	ChEMBL_50668 (CHEMBL662523)	Inhibition of Cyclin-dependent kinase 2
50013112	30	ChEMBL_84064 (CHEMBL697832)	Inhibition of Hepatocyte growth factor receptor
50013112	2	ChEMBL_162079 (CHEMBL768270)	Inhibition of Protein kinase B alpha
50038921	594	ChEMBL_586826 (CHEMBL1063803)	Binding constant for full-length MELK
50013112	23	ChEMBL_160240 (CHEMBL767854)	Inhibition of Phospho-inositide dependent kinase 1 (PDK1)
50013112	5	ChEMBL_161617 (CHEMBL769157)	Inhibition of Protein kinase PRAK
50013112	16	ChEMBL_161959 (CHEMBL769383)	Inhibition of Protein tyrosine kinase Lyn
50013113	12	ChEMBL_90450 (CHEMBL699822)	Electrophysiological data on Xenopus oocytes, expressing heteromeric Ionotropic glutamate receptor ionotropic kainate 2
50013113	7	ChEMBL_90289 (CHEMBL697508)	Electrophysiological data on Xenopus oocytes, expressing homomeric Ionotropic glutamate receptor AMPA 3 (GluR3o)
50013113	13	ChEMBL_90430 (CHEMBL697419)	Electrophysiological data on Xenopus oocytes, expressing homomeric kainate receptor (GluR5)
50013113	11	ChEMBL_90297 (CHEMBL698777)	Electrophysiological data on Xenopus oocytes, expressing homomeric Ionotropic glutamate receptor AMPA 3 (GluR4o)
50013113	2	ChEMBL_90317 (CHEMBL698531)	Electrophysiological data on Xenopus oocytes, expressing homomeric Ionotropic glutamate receptor ionotropic kainate 1 (GluR5)
50013113	5	ChEMBL_90138 (CHEMBL884410)	Electrophysiological data on Xenopus oocytes, expressing homomeric Ionotropic glutamate receptor AMPA 1 (GluR1o)
50013113	9	ChEMBL_90298 (CHEMBL698778)	Electrophysiological data on Xenopus oocytes, expressing homomeric Ionotropic glutamate receptor AMPA 4 (GluR4o)
50013114	3	ChEMBL_147038 (CHEMBL753341)	Binding affinity towards Opioid receptor delta 1 using [3H]CI-DPDPE as radioligand in rat brain
50013114	1	ChEMBL_145820 (CHEMBL753681)	Binding affinity towards KOR (Opioid receptor kappa 1) using [3H]CI977 as radioligand in rat brain
50013114	2	ChEMBL_148994 (CHEMBL757978)	Binding affinity towards Opioid receptor mu 1 using [3H]naloxone as radioligand in rat brain
50038921	595	ChEMBL_586477 (CHEMBL1063730)	Binding constant for HCK kinase domain
50013117	3	ChEMBL_72613 (CHEMBL681072)	In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast
50013117	1	ChEMBL_31933 (CHEMBL642975)	In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.
50013117	2	ChEMBL_31327 (CHEMBL644880)	In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney.
50038921	596	ChEMBL_586711 (CHEMBL1062858)	Binding constant for NEK6 kinase domain
50038921	597	ChEMBL_587064 (CHEMBL1051278)	Binding constant for ACVR1B kinase domain
50038921	598	ChEMBL_586362 (CHEMBL1061928)	Binding constant for full-length SRPK2
50038921	599	ChEMBL_586455 (CHEMBL1063710)	Binding constant for ERK3 kinase domain
50038921	600	ChEMBL_587221 (CHEMBL1061985)	Binding constant for full-length YANK2
50013122	4	ChEMBL_62636 (CHEMBL676682)	Inhibition of [3H]dopamine uptake via rat dopamine receptor.
50013122	2	ChEMBL_144991 (CHEMBL755917)	Inhibition of [3H]norepinephrine uptake at the rat norepinephrine transporter.
50013122	1	ChEMBL_201811 (CHEMBL805319)	Affinity at rat serotonin transporter using [125I]RTI-55 displacement.
50013122	5	ChEMBL_62334 (CHEMBL674427)	Affinity at rat dopamine transporter using [125I]RTI-55 displacement.
50013122	3	ChEMBL_202131 (CHEMBL808120)	Inhibition of [3H]5-HT uptake at the rat serotonin transporter.
50038921	601	ChEMBL_586727 (CHEMBL1062872)	Binding constant for SRMS kinase domain
50013131	2	ChEMBL_61355 (CHEMBL673257)	Inhibition of [3H]WIN-35428 Binding to the Dopamine Transporter in Rhesus (Macaca mulatta) orCynomolgus Monkey (Macaca fascicularis) Caudate-Putamen
50013131	1	ChEMBL_62954 (CHEMBL675537)	Tested for the ability to bind stereoselectively and enantioselectively to the dopamine transporter (DAT); Value ranges from 34 - 83 nM
50018115	9	ChEMBL_2264666	Inhibition of CDK7 (unknown origin)
50037056	31	ChEMBL_64138 (CHEMBL675302)	The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)
50037056	29	ChEMBL_64649 (CHEMBL674801)	Association rate constant at pH 7.4.against Elastase
50037056	10	ChEMBL_63812 (CHEMBL676202)	The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE)
50037056	3	ChEMBL_144796 (CHEMBL752072)	The compound was evaluated for its inhibitory activity against dog neutrophil elastase using whole blood assay
50037056	5	ChEMBL_63813 (CHEMBL878396)	The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay
50037056	32	ChEMBL_225800 (CHEMBL845148)	The compound was evaluated for its inhibitory activity against trypsin using selectivity assay
50037056	12	ChEMBL_63814 (CHEMBL676203)	The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay
50037056	33	ChEMBL_45525 (CHEMBL661863)	The compound was evaluated for its inhibitory activity against cathepsin G using selectivity assay
50037056	4	ChEMBL_64657 (CHEMBL674809)	Dissociation rate constant at pH 7.4 against Elastase
50037056	30	ChEMBL_64648 (CHEMBL674800)	Association rate constant at pH 7.4 against Elastase
50035555	14	ChEMBL_197493 (CHEMBL804971)	Inhibition of rhizopuspepsin
50020505	4	ChEMBL_448069 (CHEMBL898324)	Displacement of [3H]EBOB from human recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells
50013142	1	ChEMBL_51441 (CHEMBL876699)	Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration
50020505	3	ChEMBL_448071 (CHEMBL898326)	Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells
50021939	9	ChEMBL_460138 (CHEMBL924980)	Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissue
50021939	10	ChEMBL_460105 (CHEMBL924990)	Binding affinity to GABA alpha-6-beta-2-gamma-2 receptor
50013147	6	ChEMBL_53333 (CHEMBL664919)	Inhibitory activity against Dihydrohydrofolate reductase(DHFR) of Toxoplasma gondii
50013147	9	ChEMBL_55103 (CHEMBL665363)	Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium
50013147	3	ChEMBL_54971 (CHEMBL666700)	Inhibition Dihydrohydrofolate reductase(DHFR) of rat liver
50013147	5	ChEMBL_52970 (CHEMBL664178)	Inhibition of Dihydrohydrofolate reductase(DHFR) of Pneumocystis carinii
50013147	10	ChEMBL_53493 (CHEMBL665617)	Inhibitory activity against Toxoplasma gondii DHFR*
50013147	1	ChEMBL_54970 (CHEMBL666699)	Inhibitory activity against Dihydrohydrofolate reductase (DHFR) of rat
50013147	11	ChEMBL_52969 (CHEMBL664177)	Inhibitory activity against Dihydrohydrofolate reductase (DHFR) of Pneumocystis carinii
50013147	8	ChEMBL_53332 (CHEMBL664918)	Inhibitory activity against Dihydrohydrofolate reductase (DHFR) of Toxoplasma gondii
50013147	4	ChEMBL_53003 (CHEMBL664433)	Inhibitory activity against Pneumocystis. carinii DHFR*
50013147	2	ChEMBL_55123 (CHEMBL665449)	Inhibitory activity against rat DHFR*
50013147	7	ChEMBL_55102 (CHEMBL665362)	Inhibitory activity against Dihydrohydrofolate reductase (DHFR) of Mycobacterium avium
50032449	86	ChEMBL_674071 (CHEMBL1274168)	Inhibition of GSK3-beta
50032449	107	ChEMBL_674040 (CHEMBL1274137)	Inhibition of Cdk2/cyclin E
50032449	63	ChEMBL_673917 (CHEMBL1275094)	Inhibition of NEK6
50032449	65	ChEMBL_673919 (CHEMBL1275096)	Inhibition of MST4
50032449	66	ChEMBL_673915 (CHEMBL1275092)	Inhibition of NIM1
50032449	95	ChEMBL_674031 (CHEMBL1275208)	Inhibition of AKT1
50032449	99	ChEMBL_674039 (CHEMBL1274136)	Inhibition of GSK3-beta
50032449	74	ChEMBL_673924 (CHEMBL1275101)	Inhibition of IR
50032449	76	ChEMBL_673926 (CHEMBL1275103)	Inhibition of IKKi
50032449	71	ChEMBL_673928 (CHEMBL1275105)	Inhibition of IGFR1
50013150	1	ChEMBL_157736 (CHEMBL765174)	Inhibitory activity against HIV-1 protease
50013151	1	ChEMBL_71588 (CHEMBL684202)	Binding affinity against human gonadotropin-releasing hormone receptor
50013151	2	ChEMBL_71589 (CHEMBL684203)	Binding affinity to human Gonadotropin-releasing hormone receptor
50032449	92	ChEMBL_674035 (CHEMBL1274132)	Inhibition of PKCbeta
50032449	97	ChEMBL_674037 (CHEMBL1274134)	Inhibition of JAK2
50032449	67	ChEMBL_673920 (CHEMBL1275097)	Inhibition of MK2
50032449	69	ChEMBL_673922 (CHEMBL1275099)	Inhibition of KIT
50032449	89	ChEMBL_674033 (CHEMBL1274130)	Inhibition of IKK2
50032449	109	ChEMBL_674083 (CHEMBL1274180)	Inhibition of PLK1
50032449	108	ChEMBL_674084 (CHEMBL1274181)	Inhibition of RET
50013154	5	ChEBML_153232	Maximum transcriptional activation of human PPAR gamma receptor
50013154	8	ChEBML_154532	Activity against murine PPAR gamma receptor
50013154	4	ChEBML_153401	Maximum transcriptional activation of human PPAR alpha receptor
50032449	101	ChEMBL_674080 (CHEMBL1274177)	Inhibition of PERK
50013154	3	ChEMBL_153232 (CHEMBL764465)	Maximum transcriptional activation of human PPAR gamma receptor
50013154	6	ChEBML_153706	Activity against murine PPAR alpha receptor
50032449	104	ChEMBL_674088 (CHEMBL1274185)	Inhibition of ZAP70
50013154	2	ChEBML_154038	Activity against murine PPAR delta receptor
50032449	106	ChEMBL_674087 (CHEMBL1274184)	Inhibition of VEGFR3
50013155	1	ChEBML_69995	Inhibition of [3H]farnesyl pyrophosphate binding to human farnesyltransferase
50013160	3	ChEBML_70124	Inhibition of farnesyl transferase at 0.1 uM
50013160	7	ChEMBL_70126 (CHEMBL681811)	Inhibition of [3H]FPP incorporation into biotinylated laminB peptide by farnesyl transferase
50013160	6	ChEMBL_72096 (CHEMBL680222)	Inhibition of Geranylgeranylprotein transferase-I at 10 uM
50032449	64	ChEMBL_673918 (CHEMBL1275095)	Inhibition of MPS1
50032449	105	ChEMBL_674043 (CHEMBL1274140)	Inhibition of Cdk9/cyclin T
50032449	84	ChEMBL_673936 (CHEMBL1275113)	Inhibition of BRK
50032449	78	ChEMBL_673932 (CHEMBL1275109)	Inhibition of ERK2
50032449	75	ChEMBL_673925 (CHEMBL1275102)	Inhibition of JAK3
50032449	72	ChEMBL_673929 (CHEMBL1275106)	Inhibition of FAK
50032449	98	ChEMBL_674036 (CHEMBL1274133)	Inhibition of Cdk1/cyclin B
50032449	68	ChEMBL_673921 (CHEMBL1275098)	Inhibition of MET
50032449	91	ChEMBL_674032 (CHEMBL1274129)	Inhibition of ALK
50032449	83	ChEMBL_673935 (CHEMBL1275112)	Inhibition of Cdk5/P25
50032449	85	ChEMBL_673937 (CHEMBL1275114)	Inhibition of Cdk4/cyclin D1
50032449	79	ChEMBL_673933 (CHEMBL1275110)	Inhibition of CHK1
50032449	81	ChEMBL_673939 (CHEMBL1275116)	Inhibition of AUR2
50032449	102	ChEMBL_674082 (CHEMBL1274179)	Inhibition of PKAalpha
50032449	103	ChEMBL_674081 (CHEMBL1274178)	Inhibition of PIM1
50032449	77	ChEMBL_673930 (CHEMBL1275107)	Inhibition of FGFR1
50032449	110	ChEMBL_674086 (CHEMBL1274183)	Inhibition of TRKA
50032449	112	ChEMBL_674085 (CHEMBL1274182)	Inhibition of SYK
50013162	1	ChEBML_50700	Inhibition of cytochrome P450 19A1 of human placental microsomes with [1-beta,2beta-3H]testosterone
50013162	2	ChEMBL_50701 (CHEMBL661695)	In vitro inhibition of cytochrome P450 19A1 from human placental microsomes with 2.5 uM [1-beta,2beta-3H]testosterone
50013164	2	ChEMBL_217628 (CHEMBL820371)	Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1
50013165	4	ChEBML_71806	Inhibition of transfer of [3H]FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I
50013165	6	ChEMBL_69852 (CHEMBL680442)	Inhibition of transfer of [3H]FPP to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine FTase
50013165	5	ChEMBL_69853 (CHEMBL680609)	Inhibition of [3H]FPP transfer to biotin K-ras peptide (KKSKTKCVIM) by bovine FTase
50013165	7	ChEMBL_71807 (CHEMBL683491)	Inhibition of [3H]FPP transfer to biotin K-ras peptide (KKSKTKCVIM) catalyzed by bovine GGTase-I
50032449	87	ChEMBL_674070 (CHEMBL1274167)	Inhibition of CDK2/cyclin A
50032449	70	ChEMBL_673927 (CHEMBL1275104)	Inhibition of FLT3
50032449	111	ChEMBL_674041 (CHEMBL1274138)	Inhibition of TAO1
50032449	82	ChEMBL_673934 (CHEMBL1275111)	Inhibition of EEF2K
50032449	80	ChEMBL_673938 (CHEMBL1275115)	Inhibition of AUR1
50013167	4	ChEMBL_145961 (CHEMBL752210)	Binding affinity for kappa opioid receptor
50032449	73	ChEMBL_673923 (CHEMBL1275100)	Inhibition of LCK
50013167	5	ChEMBL_147340 (CHEMBL756185)	Binding affinity for delta opioid receptor
50032449	62	ChEMBL_673916 (CHEMBL1275093)	Inhibition of P38alpha
50032449	100	ChEMBL_674038 (CHEMBL1274135)	Inhibition of Cdk2/cyclin A
50032449	94	ChEMBL_674034 (CHEMBL1274131)	Inhibition of ABL
50037288	33	ChEMBL_28127 (CHEMBL644385)	Inhibitory concentration towards acetylcholinesterase in electric eel
50044634	1	ChEMBL_1457824 (CHEMBL3370066)	Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
50044634	2	ChEMBL_1457825 (CHEMBL3370303)	Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
50044634	3	ChEMBL_1457826 (CHEMBL3370304)	Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
50044634	4	ChEMBL_1457827 (CHEMBL3370305)	Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
50044634	5	ChEMBL_1457828 (CHEMBL3370306)	Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
50044634	6	ChEMBL_1457829 (CHEMBL3370307)	Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
50044634	7	ChEMBL_1457830 (CHEMBL3370308)	Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay
50044634	8	ChEMBL_1457831 (CHEMBL3370309)	Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay
50044634	9	ChEMBL_1457832 (CHEMBL3370310)	Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay
50044634	10	ChEMBL_1457838 (CHEMBL3370316)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor subtype 5 expressed in CHO cell membranes by scintillation counting method
50044634	11	ChEMBL_1457820 (CHEMBL3370062)	Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay
50024048	1	ChEMBL_503750 (CHEMBL991220)	Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells
50044635	1	ChEMBL_1458794 (CHEMBL3368248)	Inhibition of human liver CYP2D6
50044635	2	ChEMBL_1458795 (CHEMBL3368249)	Inhibition of human liver CYP3A4
50044635	3	ChEMBL_1458791 (CHEMBL3368245)	Inhibition of human liver CYP1A2
50044635	4	ChEMBL_1458792 (CHEMBL3368246)	Inhibition of human liver CYP2C9
50044635	5	ChEMBL_1458793 (CHEMBL3368247)	Inhibition of human liver CYP2C19
50044636	1	ChEMBL_1459611 (CHEMBL3369646)	Inhibition of c-Met (unknown origin) using Poly E4Y substrate and ATP incubated for 45 mins by fluorescence polarization assay
50044636	2	ChEMBL_1459612 (CHEMBL3369647)	Inhibition of c-Met autophosphorylation in human NCI-H441 cells for 1 hr by ELISA
50044637	1	ChEMBL_1459633 (CHEMBL3369890)	Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 25 mins by HPLC method
50044637	2	ChEMBL_1459634 (CHEMBL3369891)	Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 25 mins by HPLC method
50044638	1	ChEMBL_1460449 (CHEMBL3367333)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by patch clamp method
50044638	2	ChEMBL_1460447 (CHEMBL3367331)	Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes
50013176	6	ChEMBL_104404 (CHEMBL715007)	In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)
50013176	2	ChEMBL_106136 (CHEMBL718683)	In vitro inhibitory activity against broad spectrum matrix metalloprotease-1 (MMP-1)
50013176	3	ChEMBL_87189 (CHEMBL698101)	Ability to suppress the formation of TNF-aplha in human whole blood assay (WBA)
50044639	1	ChEMBL_1446356 (CHEMBL3374895)	Inhibition of bovine eNOS using L-arginine substrate
50044639	2	ChEMBL_1446355 (CHEMBL3374894)	Inhibition of rat nNOS using L-arginine substrate
50044639	3	ChEMBL_1446357 (CHEMBL3374896)	Inhibition of mouse macrophage iNOS using L-arginine substrate
50044640	1	ChEMBL_1446362 (CHEMBL3374901)	Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay
50044640	2	ChEMBL_1446363 (CHEMBL3374902)	Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay
50013178	2	ChEMBL_208505 (CHEMBL811978)	Inhibitory activity against thrombin
50013178	1	ChEMBL_48812 (CHEMBL662835)	Inhibitory activity against Coagulation factor X (fXa)
50013179	4	ChEMBL_200847 (CHEMBL807057)	Tested for binding affinity at human Somatostatin receptor type 4 using ([3-125I-Tyr11)]-SRIF-14 as the radioligand
50013179	1	ChEMBL_205558 (CHEMBL810512)	Binding affinity against Tachykinin receptor 1
50013179	2	ChEMBL_200676 (CHEMBL807088)	Inhibitory concentration required against human Somatostatin receptor type 2
50013179	3	ChEMBL_200838 (CHEMBL807048)	Inhibitory concentration required against human Somatostatin receptor type 4
50013180	1	ChEMBL_27422 (CHEMBL646666)	Effective dose as dissociation of [3H]N6-cyclohexyladenosine ([3H]CHA) from CHO-K1 membrane after treatment with allosteric enhancer and (R)-PIA
50013184	3	ChEMBL_39239 (CHEMBL655889)	Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.
50013184	2	ChEMBL_141796 (CHEMBL748694)	Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay
50013184	4	ChEMBL_70373 (CHEMBL680583)	Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay
50013184	1	ChEMBL_141797 (CHEMBL748695)	Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay
50044641	1	ChEMBL_1448151 (CHEMBL3373172)	Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay
50044641	2	ChEMBL_1448150 (CHEMBL3373171)	Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays
50013189	3	ChEMBL_220576 (CHEMBL874098)	In vitro binding affinity determined against imidazoline receptor I-1 from rabbit kidney preparation
50044642	1	ChEMBL_1448161 (CHEMBL3373182)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation using hybrid poly (A).oligo (dT)15 template primer incubated for 1 hr at 37 degC by ELISA method
50044643	1	ChEMBL_1448166 (CHEMBL3373187)	Inhibition of human recombinant Sphk2 after 60 mins by ADP2 fluorescence intensity assay
50044643	2	ChEMBL_1448165 (CHEMBL3373186)	Inhibition of human recombinant Sphk1 after 30 mins by ADP2 fluorescence intensity assay
50044644	1	ChEMBL_1451602 (CHEMBL3365792)	Inhibition of human recombinant GIVA cPLA2 in vitro vesicle assay
50013189	1	ChEMBL_33100 (CHEMBL645103)	In Vitro Alpha-1 adrenergic receptor binding affinity on calf frontal cortex membrane preparation
50044645	1	ChEMBL_1452475 (CHEMBL3362499)	Inhibition of human recombinant aldose reductase using DL-glyceraldehyde, HRAR and beta-NADPH incubated for 10 mins by spectrophotometry
50044646	1	ChEMBL_1452481 (CHEMBL3362830)	Inhibition of recombinant human CYP19A1 assessed as inhibition of DBF conversion to fluorescein by-product by fluorometry
50044646	2	ChEMBL_1452483 (CHEMBL3362832)	Reversible inhibition of recombinant human CYP19A1 assessed as inhibition of DBF conversion to fluorescein by-product by fluorometry
50044646	3	ChEMBL_1452482 (CHEMBL3362831)	Irreversible inhibition of recombinant human CYP19A1 assessed as inhibition of DBF conversion to fluorescein by-product by fluorometry
50044647	1	ChEMBL_1452484 (CHEMBL3362833)	Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR assay
50044648	1	ChEMBL_1452511 (CHEMBL3362860)	Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay
50044649	1	ChEMBL_1454245 (CHEMBL3363795)	Inhibition of potassium channel IKs (unknown origin)
50044649	2	ChEMBL_1454246 (CHEMBL3363796)	Inhibition of potassium channel Kv1.5 (unknown origin)
50044649	3	ChEMBL_1454248 (CHEMBL3363798)	Inhibition of potassium channel Nav1.5 (unknown origin)
50044649	4	ChEMBL_1454249 (CHEMBL3363799)	Inhibition of potassium channel Cav1.2 (unknown origin)
50044649	5	ChEMBL_1454250 (CHEMBL3363800)	Inhibition of potassium channel Cav3.2 (unknown origin)
50044649	7	ChEMBL_1454251 (CHEMBL3363801)	Inhibition of potassium channel HCN4 (unknown origin)
50044649	8	ChEMBL_1454247 (CHEMBL3363797)	Inhibition of potassium channel Kv4.3 (unknown origin)
50013190	8	ChEMBL_87072 (CHEMBL700589)	Inhibition of Histamine H3 receptor
50013190	5	ChEMBL_83634 (CHEMBL695764)	Inhibition of human H3-receptor using [3H]N-alpha-methyl histamine
50013190	2	ChEMBL_86758 (CHEMBL693567)	Affinity against rat Histamine H3 receptor using [3H]N-alpha-methyl histamine
50044650	1	ChEMBL_1454278 (CHEMBL3363828)	Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044650	2	ChEMBL_1454279 (CHEMBL3363829)	Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044650	3	ChEMBL_1454280 (CHEMBL3363830)	Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50013190	1	ChEMBL_86759 (CHEMBL693568)	Inhibition of rat Histamine H3 receptor using [3H]N-alpha-methyl histamine
50013191	1	ChEMBL_71703 (CHEMBL680917)	Inhibition of N-acetyl-L-aspartyl-[3H]L-glutamate binding to glutamate carboxypeptidase II (GCP II)
50013191	2	ChEMBL_71705 (CHEMBL680919)	In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]L-glutamate as a substrate
50044650	4	ChEMBL_1454277 (CHEMBL3363827)	Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044651	1	ChEMBL_1455128 (CHEMBL3366741)	Inhibition of human serum BChE using butyrylthiocholine iodide preincubated for 20 mins before substrate addition by Ellman method
50044651	2	ChEMBL_1455127 (CHEMBL3366740)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins before substrate addition by Ellman method
50044652	1	ChEMBL_1455145 (CHEMBL3366758)	Inhibition of HIV1 gp41 NHR assessed as inhibition of 6HB formation by FRET assay
50044652	2	ChEMBL_1455137 (CHEMBL3366750)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells after 6 to 8 hrs by luciferase assay
50044652	3	ChEMBL_1455142 (CHEMBL3366755)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells compound preincubated for 1 hr measured after 48 hrs by prime/wash assay
50044652	4	ChEMBL_1455143 (CHEMBL3366756)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells compound preincubated for 1 hr followed by wash out measured after 48 hrs by prime/wash assay
50044653	1	ChEMBL_1455172 (CHEMBL3361464)	Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay
50013197	1	ChEBML_159759	In vitro inhibitory activity against recombinant human Prostaglandin G/H synthase 2
50044653	2	ChEMBL_1455171 (CHEMBL3361463)	Displacement of [125I]neurotensin from rat NTS1 receptor expressed in CHO-K1 cells by competitive binding assay
50044653	3	ChEMBL_1455170 (CHEMBL3361462)	Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as inhibition of SR142948a-induced calcium mobilization by FLIPR assay
50044653	4	ChEMBL_1455169 (CHEMBL3361461)	Agonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as calcium mobilization by FLIPR assay
50044654	4	ChEMBL_1456017 (CHEMBL3366073)	Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15 mins by FLIPR assay
50044654	5	ChEMBL_1456019 (CHEMBL3366075)	Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15 mins by FLIPR assay
50044654	6	ChEMBL_1456022 (CHEMBL3366078)	Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells after 1 hr by scintillation counting
50013210	1	ChEBML_155613	Inhibitory activity against plasminogen activator inhibitor 1 (PAI-1) was evaluated by inhibition of tissue plasminogen activator/PAI-1 complex formation in t-PA-induced fibrin clot lysis assay
50013213	2	ChEBML_63841	Antagonist activity against human Endothelin B receptor expressed in CHO cells
50013213	1	ChEBML_64198	Antagonist activity against human ETA receptor using CHO cells
50013216	1	ChEBML_92724	Potassium channel opening activity in vitro using LtK cells transfected with Kir6.2/SUR2B exon 17
50013220	4	ChEBML_138949	Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]pirenzepine as radioligand
50013220	2	ChEMBL_138949 (CHEMBL745929)	Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using [3H]pirenzepine as radioligand
50044655	1	ChEMBL_1448253 (CHEMBL3375026)	Inhibition of ASK1 (unknown origin)
50044656	1	ChEMBL_1434487 (CHEMBL3388873)	Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
50044656	2	ChEMBL_1434484 (CHEMBL3388870)	Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
50013221	1	ChEBML_83646	Binding affinity towards human Histamine H3 receptor using [3H]N-methyl-histamine as radioligand
50013224	1	ChEBML_104364	Inhibition of Matrix metalloprotease-2
50013224	2	ChEBML_105956	Inhibition of matrix metalloprotease-1
50013225	1	ChEBML_162516	Binding affinity against Purinergic receptor P2Y12 using [3H]2-methylthio-ADP as radioligand
50013226	3	ChEBML_48990	Binding affinity against the coagulation factor X
50013226	2	ChEMBL_48990 (CHEMBL662873)	Binding affinity against the coagulation factor X
50013226	1	ChEMBL_48988 (CHEMBL662871)	Binding affinity against Coagulation factor X
50044656	3	ChEMBL_1434488 (CHEMBL3388874)	Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay
50013227	3	ChEMBL_222302 (CHEMBL823062)	In vitro transcriptional activation in COS cells expressing human PPAR gamma-Gal4 chimera
50044657	1	ChEMBL_1434492 (CHEMBL3388878)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50044657	2	ChEMBL_1434499 (CHEMBL3388885)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50013228	5	ChEMBL_218206 (CHEMBL824555)	Ability to bind to the alpha IIb beta-3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platelets
50013228	6	ChEMBL_217799 (CHEMBL824059)	Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay
50013228	8	ChEMBL_32645 (CHEMBL642140)	Ability to bind to the Alpha 2 Beta 3 integrin expressed as inhibitory concentration against ADP-stimulated aggregation of human gel-filtered platelets
50013228	7	ChEMBL_217815 (CHEMBL821722)	Inhibitory activity against human alphaV-beta3 integrin using SPAV3 assay
50013232	2	ChEBML_27794	Inhibitory activity against acetylcholinesterase (AChE) from Torpedo californica (Irreversible type of inhibition)
50044658	1	ChEMBL_1434517 (CHEMBL3389466)	Inhibition of HDAC (unknown origin)
50044659	1	ChEMBL_1435206 (CHEMBL3390091)	Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine uptake after 2 hrs
50013235	2	ChEMBL_71594 (CHEMBL687312)	Binding affinity was determined towards human Gonadotropin-releasing hormone receptor
50013235	1	ChEMBL_71595 (CHEMBL687313)	Binding affinity was determined towards human gonadotropin-releasing hormone receptor
50013240	2	ChEMBL_201950 (CHEMBL809137)	Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius
50013240	1	ChEMBL_148897 (CHEMBL754981)	Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes
50044660	1	ChEMBL_1435223 (CHEMBL3390669)	Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
50044660	2	ChEMBL_1435224 (CHEMBL3390670)	Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based whole cell patch clamp electrophysiological assay
50044660	3	ChEMBL_1435234 (CHEMBL3390680)	Inhibition of CYP2C19 (unknown origin) using omeprazole substrate
50044660	4	ChEMBL_1435228 (CHEMBL3390674)	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50044660	5	ChEMBL_1435230 (CHEMBL3390676)	Inhibition of CYP2D6 (unknown origin) using bufuralol substrate
50044660	6	ChEMBL_1435232 (CHEMBL3390678)	Inhibition of CYP2C9 (unknown origin) using diclofenac substrate
50044660	7	ChEMBL_1435226 (CHEMBL3390672)	Inhibition of human Nav1.5
50044660	8	ChEMBL_1435225 (CHEMBL3390671)	Inhibition of human Nav1.7
50044661	1	ChEMBL_1435254 (CHEMBL3390700)	Antagonist activity at PAR1 in PAR-1-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation assay
50044661	2	ChEMBL_1435253 (CHEMBL3390699)	Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation assay
50044662	1	ChEMBL_1435934 (CHEMBL3382244)	Binding affinity to DRAK2 (unknown origin) ATP site
50044662	2	ChEMBL_1435935 (CHEMBL3382245)	Binding affinity to DRAK1 (unknown origin)
50044662	3	ChEMBL_1435936 (CHEMBL3382246)	Inhibition of DRAK1 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting
50044662	4	ChEMBL_1435937 (CHEMBL3382247)	Inhibition of DRAK2 (unknown origin) using 33P-ATP after 30 mins by Trilux scintillation counting
50044662	5	ChEMBL_1435938 (CHEMBL3382248)	Inhibition of DRAK1 (unknown origin) using 1 uM ATP by biochemical assay
50044662	6	ChEMBL_1435939 (CHEMBL3382249)	Inhibition of DRAK1 (unknown origin) using 5 uM ATP by biochemical assay
50044662	7	ChEMBL_1435940 (CHEMBL3382250)	Inhibition of DRAK1 (unknown origin) using 10 uM ATP by biochemical assay
50044662	8	ChEMBL_1435941 (CHEMBL3382251)	Inhibition of DRAK1 (unknown origin) using 25 uM ATP by biochemical assay
50044662	9	ChEMBL_1435942 (CHEMBL3382252)	Inhibition of DRAK1 (unknown origin) using 50 uM ATP by biochemical assay
50044662	10	ChEMBL_1435943 (CHEMBL3382253)	Inhibition of DRAK1 (unknown origin) using 100 uM ATP by biochemical assay
50044662	11	ChEMBL_1435944 (CHEMBL3382254)	Inhibition of DRAK1 (unknown origin) using 250 uM ATP by biochemical assay
50044662	12	ChEMBL_1435945 (CHEMBL3382255)	Inhibition of DRAK1 (unknown origin) using 500 uM ATP by biochemical assay
50044662	13	ChEMBL_1435946 (CHEMBL3382256)	Inhibition of DRAK2 (unknown origin) using 1 uM ATP by biochemical assay
50044662	14	ChEMBL_1435947 (CHEMBL3382257)	Inhibition of DRAK2 (unknown origin) using 5 uM ATP by biochemical assay
50044662	15	ChEMBL_1435948 (CHEMBL3382258)	Inhibition of DRAK2 (unknown origin) using 10 uM ATP by biochemical assay
50013246	1	ChEMBL_216899 (CHEMBL815632)	Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer
50013246	3	ChEMBL_216902 (CHEMBL813014)	Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in human serum
50013246	4	ChEMBL_216901 (CHEMBL813013)	Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in hamster serum
50013246	2	ChEMBL_216903 (CHEMBL816918)	Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in rabbit serum
50013246	5	ChEMBL_216900 (CHEMBL815633)	Compound was tested in vitro for inhibitory activity against recombinant human cholesteryl ester transfer protein in buffer with <1 nM [CETP] for 18 hr assay time
50013248	1	ChEMBL_31884 (CHEMBL645674)	Inhibitory activity against recombinant human adenylate cyclase 5 expressed in HEK293 cells.
50044662	16	ChEMBL_1435949 (CHEMBL3382259)	Inhibition of DRAK2 (unknown origin) using 25 uM ATP by biochemical assay
50044662	17	ChEMBL_1435950 (CHEMBL3382260)	Inhibition of DRAK2 (unknown origin) using 50 uM ATP by biochemical assay
50044662	18	ChEMBL_1435951 (CHEMBL3382261)	Inhibition of DRAK2 (unknown origin) using 100 uM ATP by biochemical assay
50044662	19	ChEMBL_1435952 (CHEMBL3382262)	Inhibition of DRAK2 (unknown origin) using 250 uM ATP by biochemical assay
50044662	20	ChEMBL_1435953 (CHEMBL3382263)	Inhibition of DRAK2 (unknown origin) using 500 uM ATP by biochemical assay
50044663	1	ChEMBL_1435960 (CHEMBL3382270)	Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
50044663	2	ChEMBL_1435959 (CHEMBL3382269)	Inhibition of human factor 2a using L-pyro-Glu-Pro-ArgpNA, S-2366 chromogenic substrate
50044663	3	ChEMBL_1435961 (CHEMBL3382271)	Inhibition of human factor 7a using S-2366 chromogenic substrate
50044663	4	ChEMBL_1435962 (CHEMBL3382272)	Inhibition of human factor 9a using CH3SO2-(D)CHG Gly-Arg-pNA, Biophen-CS51 chromogenic substrate
50044663	5	ChEMBL_1435963 (CHEMBL3382273)	Inhibition of human trypsin using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
50044663	6	ChEMBL_1435964 (CHEMBL3382274)	Inhibition of human factor 11a using S-2366 chromogenic substrate
50044663	7	ChEMBL_1436636 (CHEMBL3384134)	Inhibition of human ERG by patch clamp assay
50044663	8	ChEMBL_1436637 (CHEMBL3384135)	Inhibition of CYP1A2 (unknown origin)
50044663	9	ChEMBL_1436638 (CHEMBL3384136)	Inhibition of CYP2C8 (unknown origin)
50044663	10	ChEMBL_1436639 (CHEMBL3384137)	Inhibition of CYP2C9 (unknown origin)
50044663	11	ChEMBL_1436640 (CHEMBL3384138)	Inhibition of CYP2C19 (unknown origin)
50044663	12	ChEMBL_1436641 (CHEMBL3384139)	Inhibition of CYP2D6 (unknown origin)
50044663	13	ChEMBL_1436642 (CHEMBL3384140)	Inhibition of CYP3A4 (unknown origin)
50044664	1	ChEMBL_1436675 (CHEMBL3384751)	Inhibition of Akt1 PH domain (unknown origin)
50044664	2	ChEMBL_1436674 (CHEMBL3384750)	Inhibition of Akt1 (unknown origin)
50044664	3	ChEMBL_1436676 (CHEMBL3384752)	Inhibition of Akt2 (unknown origin)
50044664	4	ChEMBL_1436677 (CHEMBL3384753)	Inhibition of Akt2 PH domain (unknown origin)
50044664	5	ChEMBL_1436678 (CHEMBL3384754)	Inhibition of Akt3 (unknown origin)
50044664	6	ChEMBL_1436681 (CHEMBL3384757)	Inhibition of SGK (unknown origin)
50044664	7	ChEMBL_1436682 (CHEMBL3384758)	Positive allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader
50044664	8	ChEMBL_1436683 (CHEMBL3384759)	Negative allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader
50044664	9	ChEMBL_1436684 (CHEMBL3384760)	Silent allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader
50044664	10	ChEMBL_1437330 (CHEMBL3385425)	Allosteric agonist activity at human muscarinic acetylcholine receptor M5
50044665	1	ChEMBL_1438086 (CHEMBL3387887)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes
50044665	2	ChEMBL_1438088 (CHEMBL3387889)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes
50044665	3	ChEMBL_1438093 (CHEMBL3387894)	Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87 +/- 0.04 nM)
50044666	1	ChEMBL_1438099 (CHEMBL3387900)	Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay
50044666	2	ChEMBL_1438097 (CHEMBL3387898)	Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry
50044667	1	ChEMBL_1438101 (CHEMBL3388476)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate by fluorescence assay
50013251	5	ChEMBL_139758 (CHEMBL748894)	Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M2 using [3H]QNB radioligand
50013251	4	ChEMBL_139393 (CHEMBL747159)	Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M5 using [3H]QNB radioligand
50013251	1	ChEMBL_138406 (CHEMBL744768)	Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M1 using [3H]QNB radioligand
50013251	3	ChEMBL_138704 (CHEMBL747819)	Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M3 using [3H]QNB radioligand
50013251	2	ChEMBL_139123 (CHEMBL749861)	Binding affinity of compound was determined towards human Muscarinic acetylcholine receptor M4 using [3H]QNB radioligand
50013252	3	ChEMBL_70106 (CHEMBL681641)	Binding affinity to human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2, determined using [3H]-Ro- 15-1788 radioligand
50013252	2	ChEMBL_70266 (CHEMBL681405)	Binding affinity to human gamma-amino butyric-acid A receptor alpha-2-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligand
50013252	4	ChEMBL_70418 (CHEMBL682253)	Binding affinity to human gamma-amino butyric-acid A receptor alpha-3-beta-3-gamma-2, using a [3H]-Ro- 15-1788 radioligand
50013252	1	ChEMBL_70703 (CHEMBL685339)	Binding affinity to human GABA A alpha-5-beta-3-gamma-2 receptor, using a [3H]-Ro- 15-1788 radioligand
50013254	3	ChEMBL_90134 (CHEMBL701234)	Binding affinity of compound was determined against Ionotropic glutamate receptor AMPA receptor, using radioligand [3H]- AMPA
50013254	18	ChEMBL_140702 (CHEMBL751721)	Binding affinity of compound was determined against N-methyl-D-aspartate glutamate receptor, using radioligand [3H]- CGP-39653
50013254	7	ChEMBL_90149 (CHEMBL701247)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 1 (GluR1) expressed in Sf 9 insect cells
50013254	10	ChEMBL_88654 (CHEMBL702869)	Binding affinity of compound was determined against KA receptor, using radioligand [3H]- KA
50013254	13	ChEMBL_90288 (CHEMBL697507)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 2 (GluR2) expressed in Sf 9 insect cells
50013254	12	ChEMBL_88654 (CHEMBL702869)	Binding affinity of compound was determined against KA receptor, using radioligand [3H]- KA
50013254	4	ChEMBL_90293 (CHEMBL698773)	Effective concentration of compound was determined for electrophysiological properties on Ionotropic glutamate receptor AMPA 3 (GluR3) using rat cortical slice model in Xenopus laevis oocytes
50013254	5	ChEMBL_90305 (CHEMBL696664)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 4 (GluR4) expressed in Sf 9 insect cells
50013254	14	ChEMBL_90296 (CHEMBL698776)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor AMPA 3 (GluR3) expressed in Sf 9 insect cells
50013254	11	ChEMBL_90447 (CHEMBL698079)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor ionotropic kainate 1 (GluR5) expressed in Sf 9 insect cells
50013254	6	ChEMBL_90304 (CHEMBL696663)	Effective concentration of compound was determined for electrophysiological properties on Ionotropic glutamate receptor AMPA 4 (GluR4) using rat cortical slice model in Xenopus laevis oocytes
50013254	2	ChEMBL_90146 (CHEMBL701244)	Effective concentration of compound was determined for electrophysiological properties on Metabotropic glutamate receptor 1 using rat cortical slice model in Xenopus laevis oocytes
50013254	9	ChEMBL_90596 (CHEMBL874148)	Binding affinity of compound was determined towards cloned Ionotropic glutamate receptor ionotropic kainate 6 (GluR6) expressed in Sf 9 insect cells
50013254	16	ChEMBL_90155 (CHEMBL696977)	Effective concentration of compound was determined for electrophysiological properties on Ionotropic glutamate receptor AMPA 2 (GluR2) using rat cortical slice model in Xenopus laevis oocytes
50013254	1	ChEMBL_90144 (CHEMBL701242)	Effective concentration of compound was determined for electrophysiological properties on Ionotropic glutamate receptor AMPA 1 (GluR1) using rat cortical slice model in Xenopus laevis oocytes
50013254	8	ChEMBL_90146 (CHEMBL701244)	Effective concentration of compound was determined for electrophysiological properties on Metabotropic glutamate receptor 1 using rat cortical slice model in Xenopus laevis oocytes
50013258	15	ChEMBL_42224 (CHEMBL655348)	Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase
50044668	1	ChEMBL_1438115 (CHEMBL3388490)	Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrophotometry
50044669	1	ChEMBL_1438120 (CHEMBL3388495)	Inhibition of AKR1C4 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay
50044669	2	ChEMBL_1438119 (CHEMBL3388494)	Inhibition of AKR1C2 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay
50044669	3	ChEMBL_1438118 (CHEMBL3388493)	Inhibition of AKR1C1 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay
50044669	4	ChEMBL_1438117 (CHEMBL3388492)	Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay
50044669	5	ChEMBL_1438124 (CHEMBL3388499)	Inhibition of AKR1C3-mediated androsterone metabolism in human A549 cells assessed as 5alpha-androstane-3alpha, 17beta-diol after 24 hrs by LC/MS analysis
50044670	1	ChEMBL_1438884 (CHEMBL3381809)	Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H14-H15 of isopentenylic moiety by saturation transfer difference NMR analysis
50044670	2	ChEMBL_1438883 (CHEMBL3381808)	Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H11 of isopentenylic moiety by saturation transfer difference NMR analysis
50044670	3	ChEMBL_1438882 (CHEMBL3381807)	Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H12 of isopentenylic moiety by saturation transfer difference NMR analysis
50013263	1	ChEBML_40429	In vitro binding affinity against Bradykinin receptor B2
50013264	1	ChEBML_65458	Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells
50013264	2	ChEBML_65456	Dose affording 50% of maximum transactivation for ecdysone receptor from Bombyx mori (BmEcR) and a beta-galactosidase reporter gene in HEK293 cell-line
50044670	4	ChEMBL_1438881 (CHEMBL3381226)	Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H2/H8 of purine ring by saturation transfer difference NMR analysis
50044671	1	ChEMBL_1438886 (CHEMBL3381811)	Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting
50044671	2	ChEMBL_1438889 (CHEMBL3381814)	Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting
50044671	3	ChEMBL_1438890 (CHEMBL3381815)	Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay
50044671	4	ChEMBL_1438887 (CHEMBL3381812)	Displacement of [3H]testosterone from androgen receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting
50013267	5	ChEMBL_921 (CHEMBL615769)	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50013267	2	ChEBML_921	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50013267	3	ChEBML_201966	Binding affinity towards serotonin [5-HT] reuptake site labeled with [3H]paroxetine as radioligand
50013267	4	ChEMBL_919 (CHEMBL615767)	Binding affinity towards 5-HT1A receptor using [3H]8-OH-DPAT as radioligand
50013267	1	ChEMBL_201965 (CHEMBL809150)	Binding affinity towards Serotonin transporter labeled with [3H]paroxetine as radioligand
50013268	2	ChEBML_67825	Binding affinity for estrogen receptor beta
50013268	1	ChEBML_67514	Binding affinity for estrogen receptor alpha
50044671	5	ChEMBL_1438888 (CHEMBL3381813)	Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting
50013271	2	ChEBML_67497	In vitro binding affinity for estrogen receptor alpha
50013271	1	ChEBML_67817	In vitro binding affinity for estrogen receptor beta
50013272	2	ChEMBL_155719 (CHEMBL760597)	Inhibition of Phosphodiesterase-4A (PDE4)
50013272	3	ChEMBL_155042 (CHEMBL764361)	In vitro inhibitory activity against Phosphodiesterase 4A (PDE4)
50013273	1	ChEBML_90404	Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)
50013274	2	ChEBML_90543	Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)
50013274	1	ChEBML_90403	Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 3 (IGFBP-3)
50013275	2	ChEBML_70135	Inhibition of Candida albicans Farnesyltransferase
50013275	3	ChEMBL_71805 (CHEMBL683489)	Inhibition of Candida albicans Geranylgeranyl transferase type I
50013276	1	ChEBML_65453	Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor
50044672	1	ChEMBL_1439642 (CHEMBL3383712)	Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method
50044672	2	ChEMBL_1439641 (CHEMBL3383711)	Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method
50013280	2	ChEMBL_53161 (CHEMBL665670)	Inhibitory activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619
50013280	8	ChEMBL_53157 (CHEMBL665666)	Antibacterial activity against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619
50013280	1	ChEMBL_53964 (CHEMBL669450)	Antibacterial activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus pneumoniae 1/1
50013280	12	ChEMBL_53146 (CHEMBL665866)	Inhibitory activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus aureus 157/4696
50013280	7	ChEMBL_53156 (CHEMBL665665)	Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619
50013280	10	ChEMBL_53145 (CHEMBL665865)	Inhibitory activity of TMP-Resistance DHFR against Staphylococcus aureus 157/4696
50013280	11	ChEMBL_53159 (CHEMBL665668)	Inhibitory activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619
50013280	3	ChEMBL_53160 (CHEMBL665669)	Inhibitory activity against TMP-susceptible DHFR from Staphylococcus pneumoniae ATCC 49619
50013280	6	ChEMBL_53147 (CHEMBL665867)	Tested for inhibition of TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696.
50013280	5	ChEMBL_54115 (CHEMBL668273)	Inhibitory activity against TMP-Resistance DHFR from human
50013280	4	ChEMBL_53143 (CHEMBL665863)	Antibacterial activity against TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696
50013280	9	ChEMBL_53158 (CHEMBL665667)	Inhibitory activity of TMP-Resistance DHFR against Staphylococcus pneumoniae 1/1
50013284	2	ChEMBL_68638 (CHEMBL857374)	Fatty acid amide hydrolase inhibitory activity in rat brain membrane using [3H]anandamide as a substrate
50013284	1	ChEMBL_27979 (CHEMBL645727)	Inhibitory activity towards eel acetylcholinesterase (AChE)
50044673	1	ChEMBL_1440397 (CHEMBL3386210)	Binding affinity to paraoxon-inhibited AChE (unknown origin)
50044674	1	ChEMBL_1440445 (CHEMBL3386826)	Inhibition of rat CK1delta by radiometric protein kinase filter binding assay
50044674	2	ChEMBL_1440410 (CHEMBL3386223)	Inhibition of GST-tagged mouse CK1delta transcription variant 2 mutant expressed in Escherichia coli at 37 degC for 2 hrs using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	3	ChEMBL_1440409 (CHEMBL3386222)	Inhibition of GST-tagged mouse CK1delta transcription variant 2 mutant expressed in Escherichia coli at 15 degC for 14 hrs using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	4	ChEMBL_1440408 (CHEMBL3386221)	Inhibition of GST-tagged mouse CK1delta transcription variant 1 mutant expressed in Escherichia coli at 37 degC for 2 hrs using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	5	ChEMBL_1440407 (CHEMBL3386220)	Inhibition of GST-tagged mouse CK1delta transcription variant 1 mutant expressed in Escherichia coli at 15 degC for 14 hrs using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	6	ChEMBL_1440406 (CHEMBL3386219)	Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography
50044674	7	ChEMBL_1440405 (CHEMBL3386218)	Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography
50044674	8	ChEMBL_1440404 (CHEMBL3386217)	Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography
50044674	9	ChEMBL_1440403 (CHEMBL3386216)	Inhibition of GST-tagged human CK1gamma3 expressed in Escherichia coli using using alpha casein substrate by SDS-PAGE based autoradiography
50044674	10	ChEMBL_1440402 (CHEMBL3386215)	Inhibition of GST-tagged bovine CK1alpha expressed in Escherichia coli using alpha casein substrate by SDS-PAGE based autoradiography
50044674	11	ChEMBL_1440401 (CHEMBL3386214)	Inhibition of human recombinant CK1epsilon expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	12	ChEMBL_1440399 (CHEMBL3386212)	Inhibition of rat CK1delta kinetic domain expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044674	13	ChEMBL_1440400 (CHEMBL3386213)	Inhibition of GST-tagged rat CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) by SDS-PAGE based autoradiography
50044675	1	ChEMBL_1442051 (CHEMBL3373419)	Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting
50044675	2	ChEMBL_1442049 (CHEMBL3373417)	Antagonist activity at human alpha7 nAChR expressed in GH3 cells by Ca2+/Fluo-4 assay
50044676	1	ChEMBL_1442054 (CHEMBL3373422)	Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation
50044676	2	ChEMBL_1442055 (CHEMBL3373423)	Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation
50044676	3	ChEMBL_1442056 (CHEMBL3373424)	Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morrison's equation
50044677	1	ChEMBL_1442061 (CHEMBL3373429)	Inhibition of human recombinant MMP1 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	2	ChEMBL_1442062 (CHEMBL3373430)	Inhibition of human recombinant MMP2 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	3	ChEMBL_1442063 (CHEMBL3373431)	Inhibition of human recombinant MMP3 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	4	ChEMBL_1442064 (CHEMBL3373432)	Inhibition of human recombinant MMP7 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	5	ChEMBL_1442065 (CHEMBL3373433)	Inhibition of human recombinant MMP8 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	6	ChEMBL_1442066 (CHEMBL3373434)	Inhibition of human recombinant MMP9 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	7	ChEMBL_1442067 (CHEMBL3373435)	Inhibition of human recombinant MMP10 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	8	ChEMBL_1442068 (CHEMBL3374019)	Inhibition of human recombinant MMP14 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044677	9	ChEMBL_1442069 (CHEMBL3374020)	Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5QL-2,3-diaminopropionic acid)-RSSSR-NH2 substrate by fluorescence assay
50044677	10	ChEMBL_1442057 (CHEMBL3373425)	Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay
50044678	1	ChEMBL_1442871 (CHEMBL3377149)	Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay
50044678	2	ChEMBL_1442872 (CHEMBL3377150)	Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay
50044678	3	ChEMBL_1442873 (CHEMBL3377151)	Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay
50013288	3	ChEMBL_43654 (CHEMBL654080)	Inhibition of degradation of tyrosine kinase pp60src by Calpain 1 in human platelets
50013288	2	ChEMBL_44956 (CHEMBL874513)	Inhibition of cathepsin B
50013288	1	ChEMBL_43669 (CHEMBL656202)	Inhibitory activity against human Calpain 1 isolated from erythrocytes
50013289	1	ChEMBL_70496 (CHEMBL677056)	In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced variants expressed as a GST-fusion protein in Sf 9 cells
50013289	2	ChEMBL_215102 (CHEMBL820996)	In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1
50013290	2	ChEMBL_157790 (CHEMBL878773)	In vitro inhibition of cAMP formation evoked by prostaglandin D2 receptor in human platelets
50013290	1	ChEMBL_157789 (CHEMBL767848)	In vitro inhibition of [3H]- PGD-2 radioligand binding to prostaglandin D2 receptor on human platelet membrane
50013291	1	ChEMBL_157793 (CHEMBL768775)	Prostaglandin D2 receptor antagonist activity, evaluated by inhibition of [3H]PGD-2 binding to human platelet membranes
50013293	1	ChEMBL_70274 (CHEMBL681413)	Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras
50044678	5	ChEMBL_1442876 (CHEMBL3377154)	Inhibition of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay
50044678	6	ChEMBL_1442877 (CHEMBL3377155)	Inhibition of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay
50044678	7	ChEMBL_1442878 (CHEMBL3377156)	Inhibition of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay
50044679	1	ChEMBL_1442882 (CHEMBL3377160)	Inhibition of MEK1 (unknown origin) by HTRF assay
50044679	2	ChEMBL_1442891 (CHEMBL3377704)	Inhibition of CYP1A2 (unknown origin)
50044679	3	ChEMBL_1442890 (CHEMBL3377703)	Inhibition of CYP2D6 (unknown origin)
50013299	2	ChEMBL_90368 (CHEMBL697044)	Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)
50013299	3	ChEMBL_90370 (CHEMBL697046)	Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)
50013299	1	ChEMBL_90369 (CHEMBL697045)	Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)
50044679	4	ChEMBL_1442889 (CHEMBL3377702)	Inhibition of CYP3A4 (unknown origin) using testosterone substrate
50013301	1	ChEBML_84710	Ability to displace [3H]pyrilamine from histamine H1 receptor in male Sprague-Dawley rat brain membranes
50044679	5	ChEMBL_1442888 (CHEMBL3377166)	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50044679	6	ChEMBL_1442887 (CHEMBL3377165)	Inhibition of CYP2C19 (unknown origin)
50044679	7	ChEMBL_1442886 (CHEMBL3377164)	Inhibition of CYP2C9 (unknown origin)
50044679	8	ChEMBL_1442903 (CHEMBL3377716)	Inhibition of human ERG by patch clamp assay
50044680	1	ChEMBL_1431193 (CHEMBL3385056)	Inhibition of human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of cAMP production after 30 mins
50044680	2	ChEMBL_1431191 (CHEMBL3385054)	Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay
50013304	1	ChEBML_68784	Binding affinity towards Fatty-acid amide hydrolase (FAAH) in rat forebrain membranes
50013304	2	ChEBML_46648	Binding affinity towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]CP-55940 as radioligand
50044680	3	ChEMBL_1431192 (CHEMBL3385055)	Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay
50044680	4	ChEMBL_1431190 (CHEMBL3385053)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay
50013307	1	ChEBML_144128	Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand
50013309	1	ChEBML_48671	Inhibitory activity against recombinant human cathepsin S activity
50013309	3	ChEBML_45551	Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay
50013309	2	ChEBML_48366	Inhibitory activity against recombinant human cathepsin L activity
50013310	1	ChEBML_39096	[86Rb+] efflux induced by BKca alpha subunits expressed in HEK293 cells at 10 uM
50013314	5	ChEBML_212915	Inhibition of recombinant human tumor necrosis factor-alpha converting enzyme
50013314	4	ChEBML_104871	Inhibition of recombinant human Matrix metalloprotease-3
50013314	3	ChEMBL_106149 (CHEMBL718696)	Inhibition of recombinant human matrix metalloprotease-1
50013314	2	ChEBML_106148	Inhibition of recombinant human Matrix metalloprotease-1
50013317	4	ChEBML_89902	Inhibition of TNF-alpha production from LPS stimulated human whole blood.
50013317	1	ChEBML_106130	In vitro inhibition of Matrix metalloprotease-1.
50013317	2	ChEBML_104399	In vitro inhibition of Matrix metalloprotease-2
50013317	5	ChEBML_212917	In vitro inhibition of TNF-alpha converting enzyme.
50044681	1	ChEMBL_1431197 (CHEMBL3385060)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50044681	2	ChEMBL_1431198 (CHEMBL3385061)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50044682	1	ChEMBL_1433002 (CHEMBL3384538)	Inhibition of human GSK3 using biotinylated GSP2 substrate by flashplate assay
50013319	4	ChEBML_48676	Inhibitory activity was measured against Cathepsin S
50013319	2	ChEBML_47582	Inhibitory activity was measured against Cathepsin B
50013319	3	ChEBML_48506	Inhibitory activity was measured against Cathepsin L
50013319	1	ChEBML_48322	Inhibitory activity was measured against Cathepsin K
50013320	2	ChEBML_69121	Inhibitory activity against Fructose-1,6-bisphosphatase (F16BPase) in porcine kidney
50013321	1	ChEBML_89803	Inhibition of inosine-5'-monophosphate dehydrogenase 2.
50044683	1	ChEMBL_1436034 (CHEMBL3383505)	Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay
50044683	2	ChEMBL_1436694 (CHEMBL3384770)	Inhibition of purified c-MET (unknown origin) after 60 mins by ELISA kinase assay
50044684	1	ChEMBL_1436698 (CHEMBL3384774)	Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate dehydrogenase in presence of 4% HSA
50044684	2	ChEMBL_1436697 (CHEMBL3384773)	Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate dehydrogenase
50044685	1	ChEMBL_1436732 (CHEMBL3385405)	Inhibition of HIV-1 isolate YTA48P HIV-1 gp120
50044686	1	ChEMBL_1436733 (CHEMBL3385406)	Binding affinity to SUR1 (unknown origin)
50044687	1	ChEMBL_1437404 (CHEMBL3386626)	Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry
50044688	1	ChEMBL_1438914 (CHEMBL3381839)	Inhibition of PTK6 (unknown origin) expressed in HEK293 cells assessed as decrease in tyrosine phosphorylation by chemiluminescence assay
50044688	2	ChEMBL_1438913 (CHEMBL3381838)	Inhibition of GST-tagged PTK6 (unknown origin) assessed as phosphorylated tyrosines after 20 mins by ELISA
50044688	3	ChEMBL_1438919 (CHEMBL3382430)	Inhibition of Src (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay
50044688	4	ChEMBL_1438920 (CHEMBL3382431)	Inhibition of Fyn (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay
50044688	5	ChEMBL_1438921 (CHEMBL3382432)	Inhibition of Bmx (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay
50044688	6	ChEMBL_1438922 (CHEMBL3382433)	Inhibition of EGFR (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay
50044689	1	ChEMBL_1438926 (CHEMBL3382437)	Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation
50044689	2	ChEMBL_1438925 (CHEMBL3382436)	Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation
50044689	3	ChEMBL_1438923 (CHEMBL3382434)	Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analysis
50044690	1	ChEMBL_1438933 (CHEMBL3382444)	Agonist activity at human GPR119
50013327	3	ChEBML_98920	Inhibition of metalloprotease from family M28, Aeromonas proteolytica aminopeptidase
50013328	1	ChEBML_158890	In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT1080 cells using synthetic peptide as substrate
50013330	2	ChEBML_105730	In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method.
50013330	1	ChEMBL_218863 (CHEMBL824484)	In vitro inhibitory concentration required against rat mGluR1a in CHO cells using the CDP-DAG accumulation method
50013333	1	ChEBML_83650	Compound was tested for its binding affinity towards human H3L receptor
50013333	2	ChEBML_84430	Compound was tested for its binding affinity towards human H1 receptor
50013333	3	ChEBML_85654	Compound was tested for its binding affinity towards human H2 receptor
50013335	2	ChEBML_221312	In vitro inhibition of phosphorylation of an exogenous substrate by human p56 Lck tyrosine kinase expressed as a His-tagged protein in insect cells using a baculovirus expression system
50013335	1	ChEMBL_151534 (CHEMBL762247)	Inhibition of human Lck protein tyrosine kinase
50044690	2	ChEMBL_1438948 (CHEMBL3382459)	Activation of PXR (unknown origin)
50044690	3	ChEMBL_1438951 (CHEMBL3382462)	Inhibition of human ERG by patch clamp assay
50044691	1	ChEMBL_1441244 (CHEMBL3380009)	Displacement of [3H]retinol from biotinylated human RBP4 by scintillation proximity assay
50044691	2	ChEMBL_1441245 (CHEMBL3380010)	Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced protein/transthyretin interaction by HTRF assay
50013339	3	ChEBML_138705	Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells
50013339	1	ChEBML_138407	Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells
50013339	2	ChEBML_139760	Binding affinity against human muscarinic acetylcholine receptor M2 in transfected CHO cells
50013340	4	ChEMBL_72364 (CHEMBL686601)	Inhibitory activity against Growth factor receptor bound protein 2 using ELISA assay
50013341	4	ChEBML_223734	Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]IABN as radioligand
50013341	8	ChEBML_62393	Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]IABN as radioligand
50013341	9	ChEMBL_61959 (CHEMBL671359)	Agonistic activity of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells
50013341	1	ChEMBL_223734 (CHEMBL843738)	Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]IABN as radioligand
50013341	6	ChEMBL_61960 (CHEMBL671360)	Agonistic activity of quinpirole stimulation of mitogenesis in human dopamine D3 transfected CHO cells
50013342	1	ChEBML_41707	Agonistic activity against cloned human beta3-AR (beta-3-adrenergic receptor) in CHO cells
50013342	3	ChEBML_41541	Agonistic activity against cloned human beta1-AR (beta-1-adrenergic receptor) in CHO cells
50013343	1	ChEBML_214555	Inhibition of [3H]AVP binding to Dawley rat hepatic vasopressin V1a receptor.
50013343	3	ChEBML_215009	Inhibition of [3H]AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.
50013343	2	ChEMBL_214556 (CHEMBL820173)	Compound was tested for the inhibition of [3H]AVP binding to Dawley rat kidney medullary Vasopressin V1a receptor
50013344	1	ChEBML_209261	Ability to inhibit the binding of [3H]S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cells
50013345	2	ChEBML_157989	In vitro inhibition against ovine Prostaglandin G/H synthase 2
50044691	3	ChEMBL_1441249 (CHEMBL3380639)	Inhibition of CYP2C9 (unknown origin)
50013346	1	ChEMBL_209017 (CHEMBL815538)	Binding affinity towards human Tachykinin receptor 2 using [125I]- NKA radioligand expressed in CHO cells
50013347	1	ChEBML_104384	Inhibition of matrix metalloprotease-2
50013347	6	ChEBML_106605	Inhibition of human matrix metalloprotease-13
50013347	2	ChEBML_104573	Inhibition of matrix metalloprotease-3
50013347	5	ChEBML_105981	Inhibition of matrix metalloprotease-1
50013347	4	ChEBML_105040	Inhibition of matrix metalloprotease-7
50044691	4	ChEMBL_1441250 (CHEMBL3380640)	Inhibition of CYP2C19 (unknown origin)
50044691	5	ChEMBL_1441251 (CHEMBL3380641)	Inhibition of CYP2D6 (unknown origin)
50044691	6	ChEMBL_1441252 (CHEMBL3380642)	Inhibition of CYP3A4 (unknown origin)
50044692	1	ChEMBL_1441266 (CHEMBL3380656)	Inhibition of Escherichia coli DXS
50013351	1	ChEBML_48704	Inhibition of cyclin-dependent kinase activity of Cdc28p/CDK2p in Saccharomyces cerevisiae
50013354	2	ChEMBL_41215 (CHEMBL652851)	In vitro inhibitory activity against Beta-lactamase AmpC of class C enzyme
50013354	1	ChEMBL_41216 (CHEMBL652852)	In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme
50013356	20	ChEMBL_49005 (CHEMBL662886)	Eight point inhibitory concentration against Cell division cycle 25A was determined
50013356	25	ChEMBL_49025 (CHEMBL662064)	Eight point inhibitory concentration against Cell division cycle 25B was determined
50013356	21	ChEMBL_49190 (CHEMBL662118)	Eight point inhibitory concentration against Cell division cycle 25 degree C was determined
50013356	13	ChEMBL_49177 (CHEMBL663275)	Inhibitory concentration of compound against mutant R492L of Cell division cycle 25B was determined
50013356	19	ChEMBL_49176 (CHEMBL663274)	Inhibitory concentration of compound against mutant R482L of Cell division cycle 25B was determined
50013356	16	ChEMBL_49173 (CHEMBL663271)	Inhibitory concentration of compound against mutant M531A of Cell division cycle 25B was determined
50013356	12	ChEMBL_49030 (CHEMBL662069)	Inhibitory concentration of compound against Cell division cycle 25B was determined using CDK2-p-TpY/Cyclin A as a substrate
50013356	8	ChEMBL_49042 (CHEMBL660492)	Inhibitory concentration of compound against mutant E474Q of Cell division cycle 25B was determined
50013356	6	ChEMBL_49041 (CHEMBL662079)	Inhibitory concentration of compound against mutant E474Q of Cdc25B phosphatase was determined
50013356	10	ChEMBL_49035 (CHEMBL875900)	Inhibitory constant of compound against Cell division cycle 25B was determined using mFP as a substrate
50013356	14	ChEMBL_49178 (CHEMBL663276)	Inhibitory concentration of compound against mutant R544L of Cell division cycle 25B was determined
50013356	1	ChEMBL_48877 (CHEMBL662133)	Inhibitory constant of compound against Cell division cycle 25 was determined
50013356	17	ChEMBL_49174 (CHEMBL663272)	Inhibitory concentration of compound against mutant M532A of Cell division cycle 25B was determined
50013356	9	ChEMBL_49181 (CHEMBL885074)	Inhibitory concentration of compound against mutant Y528F of Cell division cycle 25B was determined
50013356	4	ChEMBL_49044 (CHEMBL660494)	Inhibitory concentration of compound against mutant F475A of Cdc25B phosphatase was determined
50013356	5	ChEMBL_49183 (CHEMBL663279)	Inhibitory concentration of compound against truncated mutant of Cell division cycle 25B was determined
50013356	18	ChEMBL_49175 (CHEMBL663273)	Inhibitory concentration of compound against mutant R482L of Cdc25B phosphatase was determined
50013356	2	ChEMBL_49182 (CHEMBL663278)	Inhibitory concentration of compound against truncated mutant of Cdc25B phosphatase was determined
50013356	7	ChEMBL_49180 (CHEMBL875884)	Inhibitory concentration of compound against mutant WT of Cell division cycle 25B was determined
50013356	3	ChEMBL_49043 (CHEMBL660493)	Inhibitory concentration of compound against mutant E478Q of Cell division cycle 25B was determined
50013356	23	ChEMBL_49029 (CHEMBL662068)	Inhibitory concentration of compound against Cdc25B phosphatase was determined using CDK2-p-TpY/Cyclin A as a substrate
50013356	22	ChEMBL_49172 (CHEMBL663270)	Inhibitory concentration of compound against mutant F475A of Cell division cycle 25B was determined
50044692	2	ChEMBL_1441267 (CHEMBL3380657)	Inhibition of Mycobacterium tuberculosis DXS
50013356	11	ChEMBL_49034 (CHEMBL662073)	Inhibitory constant of compound against Cdc25B phosphatase was determined using mFP as a substrate
50013356	15	ChEMBL_49179 (CHEMBL663277)	Inhibitory concentration of compound against mutant WT of Cdc25B phosphatase was determined
50044692	3	ChEMBL_1441269 (CHEMBL3380659)	Inhibition of Haemophilus influenzae DXS
50044692	4	ChEMBL_1441270 (CHEMBL3380660)	Inhibition of Deinococcus radiodurans DXS
50044692	5	ChEMBL_1441272 (CHEMBL3380662)	Binding affinity to Deinococcus radiodurans DXS
50044692	6	ChEMBL_1441273 (CHEMBL3380663)	Binding affinity to Mycobacterium tuberculosis DXS
50044692	7	ChEMBL_1441278 (CHEMBL3380668)	Inhibition of Escherichia coli Dxr
50044692	8	ChEMBL_1441279 (CHEMBL3380669)	Inhibition of Mycobacterium tuberculosis Dxr
50044693	1	ChEMBL_1431241 (CHEMBL3385666)	Inhibition of Staphylococcus aureus enoyl ACP reductase
50044694	1	ChEMBL_1432177 (CHEMBL3390513)	Binding affinity to rat H3 receptor
50044694	2	ChEMBL_1432176 (CHEMBL3390512)	Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay
50044695	1	ChEMBL_1433037 (CHEMBL3385185)	Inhibition of mushroom tyrosinase using L-DOPA as substrate after 2 mins by spectrophotometry
50044695	2	ChEMBL_1432198 (CHEMBL3381401)	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate after 2 mins by Lineweaver-Burk plot
50044696	1	ChEMBL_1433044 (CHEMBL3385192)	Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotometry
50044697	1	ChEMBL_1433882 (CHEMBL3388843)	Inhibition of human recombinant HDAC5 after 60 mins by fluorimetric assay
50044697	2	ChEMBL_1433881 (CHEMBL3388842)	Inhibition of human recombinant HDAC4 after 60 mins by fluorimetric assay
50044697	3	ChEMBL_1433877 (CHEMBL3388838)	Inhibition of human recombinant HDAC1 after 60 mins by fluorimetric assay
50044697	4	ChEMBL_1433878 (CHEMBL3388839)	Inhibition of human recombinant HDAC2 after 60 mins by fluorimetric assay
50013358	1	ChEMBL_213570 (CHEMBL816126)	Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter
50013359	1	ChEMBL_3572 (CHEMBL620705)	Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]GR-113808 as radioligand
50013360	2	ChEMBL_72363 (CHEMBL686600)	Inhibition of Growth factor receptor bound protein 2 SH2 domain in extracellular binding assay
50013360	1	ChEMBL_72493 (CHEMBL685526)	Inhibition of Growth factor receptor bound protein 2 SH2 domain in extracellular binding assay
50044697	5	ChEMBL_1433883 (CHEMBL3388844)	Inhibition of human recombinant HDAC7 after 60 mins by fluorimetric assay
50044697	6	ChEMBL_1433884 (CHEMBL3388845)	Inhibition of human recombinant HDAC9 after 60 mins by fluorimetric assay
50044697	7	ChEMBL_1433885 (CHEMBL3388846)	Inhibition of human recombinant HDAC6 after 60 mins by fluorimetric assay
50044697	8	ChEMBL_1433886 (CHEMBL3388847)	Inhibition of human recombinant HDAC10 after 60 mins by fluorimetric assay
50044697	9	ChEMBL_1433887 (CHEMBL3388848)	Inhibition of human recombinant HDAC11 after 60 mins by fluorimetric assay
50044697	10	ChEMBL_1433880 (CHEMBL3388841)	Inhibition of human recombinant HDAC8 after 60 mins by fluorimetric assay
50044697	11	ChEMBL_1433879 (CHEMBL3388840)	Inhibition of human recombinant HDAC3 after 60 mins by fluorimetric assay
50044698	1	ChEMBL_1433903 (CHEMBL3389426)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha formation incubated for 18 hrs by enzyme immunoassay
50044698	2	ChEMBL_1433904 (CHEMBL3389427)	Inhibition of ovine COX2 assessed as reduction in PGF2alpha formation incubated for 18 hrs by enzyme immunoassay
50013366	1	ChEMBL_196008 (CHEMBL797872)	Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]ATRA as radioligand
50013366	3	ChEMBL_196756 (CHEMBL800545)	Inhibition of Retinoic acid receptor RXR-alpha agonist activity in vitro
50013366	4	ChEMBL_196768 (CHEMBL798929)	Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]9-cis-RA as radioligand
50013366	2	ChEMBL_196763 (CHEMBL872989)	Inhibitory activity against Retinoic acid receptor RXR-alpha antagonist was determined in vitro
50013366	5	ChEMBL_44334 (CHEMBL651610)	Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro
50044699	1	ChEMBL_1434607 (CHEMBL3390652)	Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiography
50044699	2	ChEMBL_1434608 (CHEMBL3390653)	Inhibition of recombinant LRRK2 G2019S mutant (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiography
50044699	3	ChEMBL_1434610 (CHEMBL3390655)	Inhibition of human recombinant GSK3beta using CFFKNIVTPRTPPPSQGK-amide substrate after 90 mins incubation by LANCE method
50044699	4	ChEMBL_1434609 (CHEMBL3390654)	Inhibition of human recombinant GSK3alpha using CFFKNIVTPRTPPPSQGK-amide substrate after 60 mins incubation by LANCE method
50044700	1	ChEMBL_1435361 (CHEMBL3382869)	Inhibition of 17-betaHSD1 (unknown origin)
50044700	2	ChEMBL_1435349 (CHEMBL3382857)	Inhibition of recombinant Dyrk1A (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate
50044700	3	ChEMBL_1435350 (CHEMBL3382858)	Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate
50013371	1	ChEMBL_35793 (CHEMBL649400)	Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.
50013371	2	ChEMBL_35792 (CHEMBL649399)	Binding affinity for Amyloid beta 1-40 aggregates fibrils in competition with BTA-1
50013374	6	ChEMBL_53208 (CHEMBL664029)	Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells
50013374	4	ChEMBL_53338 (CHEMBL876697)	Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from human plasma
50013374	5	ChEMBL_53355 (CHEMBL664525)	Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from rat plasma
50013374	8	ChEMBL_53206 (CHEMBL664027)	In vitro inhibitory activity against Dipeptidyl peptidase II (DPP II) obtained form bovine kidney homogenate
50013374	3	ChEMBL_53356 (CHEMBL664526)	Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma
50013374	1	ChEMBL_158378 (CHEMBL769579)	In vitro inhibitory activity against Post-proline cleaving enzyme (PPCE) obtained from human erythrocytes
50013374	2	ChEMBL_53339 (CHEMBL664924)	Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma
50013374	7	ChEMBL_53359 (CHEMBL664529)	Binding affinity towards Dipeptidyl peptidase IV (DPP-IV)
50013380	7	ChEBML_146494	Binding affinity (in vitro) against Opioid receptor delta 1 using radio-ligand binding assay
50013380	6	ChEBML_2012	Binding affinity (in vitro) against 5-hydroxytryptamine 1D receptor alpha using radio-ligand binding assay
50013380	4	ChEBML_62606	Binding affinity (in vitro) against Dopamine receptor D3 using radio-ligand binding assay
50013380	1	ChEBML_2790	Binding affinity towards pig 5-hydroxytryptamine 2C receptor
50013381	2	ChEBML_155073	Inhibitory activity against plasmin in human plasma
50013381	1	ChEBML_207986	In vitro inhibitory activity against thrombin in human plasma
50013381	4	ChEBML_213044	Inhibitory activity against trypsin
50013381	3	ChEBML_48633	Inhibitory activity against coagulation factor X in human plasma
50013382	4	ChEBML_48632	Inhibition of coagulation factor X
50013382	3	ChEBML_155072	Inhibition of plasmin
50013382	1	ChEBML_207995	Inhibition of human thrombin
50044700	4	ChEMBL_1435352 (CHEMBL3382860)	Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate
50013387	3	ChEBML_213045	Inhibitory activity against trypsin
50013387	1	ChEBML_48978	Inhibitory activity against coagulation factor X
50013387	2	ChEBML_208869	Inhibitory activity against Thrombin
50044701	1	ChEMBL_1435363 (CHEMBL3382871)	Inhibition of HIV1 protease by standard fluorimetric assay
50044702	1	ChEMBL_1435381 (CHEMBL3383455)	Inhibition of human recombinant HDAC1 using modified Boc-Lys(Ac)-AMC MAL as substrate after 1 hr by fluorescent activity assay
50044702	2	ChEMBL_1436050 (CHEMBL3384102)	Inhibition of human recombinant HDAC4 using (S)-[5-Acetylamino-1-(2-oxo-4-trifluorometyl-2Hchromen-7-ylcarbamoyl)pentl]carbami acid tert-Butyl Ester as substrate after 1 hr by fluorescent activity assay
50044702	3	ChEMBL_1436051 (CHEMBL3384103)	Inhibition of human recombinant HDAC6 using Z-MAL as substrate after 1 hr by fluorescent activity assay
50044703	1	ChEMBL_1436065 (CHEMBL3384117)	Inhibition of purified ovine COX1 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver esterase by fluorescence assay
50044703	2	ChEMBL_1436067 (CHEMBL3384119)	Inhibition of human recombinant COX2 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in absence of porcine liver esterase by fluorescence assay
50044703	3	ChEMBL_1436069 (CHEMBL3384121)	Inhibition of purified ovine COX1 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in presence of porcine liver esterase by fluorescence assay
50044703	4	ChEMBL_1436071 (CHEMBL3384123)	Inhibition of human recombinant COX2 pre-treated for 1 hr before 10-acetyl-3,7-dihydroxyphenoxazin substrate addition in presence of porcine liver esterase by fluorescence assay
50044704	1	ChEMBL_1436091 (CHEMBL3384722)	Inhibition of VEGFR (unknown origin)
50044704	3	ChEMBL_1436082 (CHEMBL3384713)	Inhibition of BRAF V600E mutant (unknown origin)
50044704	4	ChEMBL_1436093 (CHEMBL3384724)	Inhibition of PDGFR (unknown origin)
50044704	5	ChEMBL_1436090 (CHEMBL3384721)	Inhibition of CSF1R kinase (unknown origin)
50044704	6	ChEMBL_1436095 (CHEMBL3384726)	Inhibition of LCK (unknown origin)
50044704	7	ChEMBL_1436092 (CHEMBL3384723)	Inhibition of c-Kit (unknown origin)
50044705	1	ChEMBL_1436759 (CHEMBL3385971)	Inhibition of human recombinant CYP1A2 incubated for 5 mins by fluorescence assay
50044705	2	ChEMBL_1436760 (CHEMBL3385972)	Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assay
50044705	3	ChEMBL_1436761 (CHEMBL3385973)	Inhibition of human recombinant CYP2C9 incubated for 5 mins by fluorescence assay
50044705	4	ChEMBL_1436762 (CHEMBL3385974)	Inhibition of human recombinant CYP3A4 incubated for 5 mins by fluorescence assay
50044705	5	ChEMBL_1436763 (CHEMBL3385975)	Inhibition of human recombinant CYP2C19 incubated for 5 mins by fluorescence assay
50044705	6	ChEMBL_1436753 (CHEMBL3385965)	Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay
50044705	7	ChEMBL_1436754 (CHEMBL3385966)	Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay
50044705	8	ChEMBL_1436755 (CHEMBL3385967)	Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay
50044705	9	ChEMBL_1436764 (CHEMBL3385976)	Inhibition of human ERG expressed in CHO-K1 cells by automated whole-cell patch-clamp electrophysiology method
50044706	1	ChEMBL_1436802 (CHEMBL3386587)	Inhibition of Mycobacterium tuberculosis InhA using dodecyl coA as substrate by LC-MS/MS analysis
50044707	1	ChEMBL_1437448 (CHEMBL3387258)	Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis
50044707	2	ChEMBL_1437449 (CHEMBL3387259)	Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis
50044708	1	ChEMBL_1437451 (CHEMBL3387261)	Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI-HEK293A cells assessed as reduction in I-BOP-induced inositol monophosphate production incubated for 15 to 60 mins before I-BOP addition by HTRF assay
50044709	1	ChEMBL_1437489 (CHEMBL3387860)	Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50044709	2	ChEMBL_1437491 (CHEMBL3387862)	Agonist activity at rat kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50044709	3	ChEMBL_1437492 (CHEMBL3387863)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced smooth muscle contraction
50044709	4	ChEMBL_1437494 (CHEMBL3387865)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-induced smooth muscle contraction
50044709	5	ChEMBL_1437486 (CHEMBL3387857)	Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50044709	6	ChEMBL_1437485 (CHEMBL3387856)	Displacement of [3H]U69593 from kappa opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay
50044709	7	ChEMBL_1437484 (CHEMBL3387855)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay
50044709	8	ChEMBL_1437483 (CHEMBL3387854)	Displacement of [3H]Ile5,6deltorphin II from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition binding assay
50044710	1	ChEMBL_1438217 (CHEMBL3390249)	Inhibition of West Nile virus serotype 2 NS2B-NS3 protease by homogeneous fluorimetric assay
50044710	2	ChEMBL_1438213 (CHEMBL3389701)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease by homogeneous fluorimetric assay
50013396	3	ChEMBL_3044 (CHEMBL620662)	Binding affinity of compound towards 5-hydroxytryptamine 2C receptor
50013398	1	ChEBML_106322	Inhibition of matrix metalloprotease-1
50013398	2	ChEBML_158896	Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro
50013398	3	ChEBML_105213	Inhibition of MMP-8
50013400	2	ChEBML_27673	In vitro inhibitory activity against acetylcholinesterase (AChE) in Electrophorus electricus
50013400	1	ChEBML_41425	In vitro inhibitory activity against Butyrylcholinesterase (BChE) in human serum
50044711	1	ChEMBL_1438218 (CHEMBL3390250)	Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells
50044711	2	ChEMBL_1438219 (CHEMBL3390251)	Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from human adenosine A2a receptor expressed in HEK293 cells
50044711	3	ChEMBL_1438220 (CHEMBL3390252)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells
50044711	4	ChEMBL_1438224 (CHEMBL3390256)	Agonist activity at human adenosine A2a receptor expressed in CHO cells assessed as stimulation of cAMP formation after 24 hrs
50013402	2	ChEBML_67486	Binding affinity towards human estrogen receptor alpha(ERalpha)
50044711	5	ChEMBL_1438227 (CHEMBL3390259)	Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from wild type human adenosine A2a receptor expressed in HEK293 cells assessed as radioligand Kd compound preincubated for 30 mins
50013402	1	ChEBML_67687	Binding affinity towards human estrogen receptor beta (ERbeta)
50044711	6	ChEMBL_1438229 (CHEMBL3390261)	Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from wild type human adenosine A2a receptor expressed in COS-7 cells assessed as radioligand Kd compound preincubated for 30 mins
50044711	7	ChEMBL_1438230 (CHEMBL3390262)	Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from wild type human adenosine A2a receptor expressed in COS-7 cells assessed as radioligand Bmax per mg of protein compound preincubated for 30 mins
50044711	8	ChEMBL_1438231 (CHEMBL3390263)	Displacement of [3H]4-[2-[7-amino-2-(2-furyl)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-yl-amino]ethylphenol from human adenosine A2a receptor K150A mutant expressed in COS-7 cells assessed as radioligand Kd compound preincubated for 30 mins
50044712	1	ChEMBL_1438238 (CHEMBL3390270)	Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method
50044712	2	ChEMBL_1438259 (CHEMBL3381175)	Inhibition of CYP3A4 in human liver microsomes
50044712	3	ChEMBL_1438258 (CHEMBL3381174)	Inhibition of CYP2C19 in human liver microsomes
50044712	4	ChEMBL_1438257 (CHEMBL3381173)	Inhibition of CYP2D6 in human liver microsomes
50044712	5	ChEMBL_1438256 (CHEMBL3381172)	Inhibition of CYP2C9 in human liver microsomes
50044712	6	ChEMBL_1438255 (CHEMBL3381171)	Inhibition of CYP1A2 in human liver microsomes
50044712	7	ChEMBL_1438249 (CHEMBL3390281)	Inhibition of human PDE11A4 expressed in Sf9 cells by scintillation counting method
50044712	8	ChEMBL_1438248 (CHEMBL3390280)	Inhibition of human PDE9A1 expressed in Sf9 cells by scintillation counting method
50044712	9	ChEMBL_1438247 (CHEMBL3390279)	Inhibition of human PDE7A1 expressed in Sf9 cells by scintillation counting method
50044712	10	ChEMBL_1438244 (CHEMBL3390276)	Inhibition of human PDE4D by scintillation counting method
50044712	11	ChEMBL_1438243 (CHEMBL3390275)	Inhibition of human PDE3B by scintillation counting method
50044712	12	ChEMBL_1438242 (CHEMBL3390274)	Inhibition of human PDE1A by scintillation counting method
50044712	13	ChEMBL_1438239 (CHEMBL3390271)	Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method
50044713	1	ChEMBL_1438995 (CHEMBL3383102)	Antagonist activity at E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay
50044713	2	ChEMBL_1438997 (CHEMBL3383104)	Antagonist activity at P-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static assay
50044713	3	ChEMBL_1438999 (CHEMBL3383106)	Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay
50044714	1	ChEMBL_1439003 (CHEMBL3383110)	Inhibition of human dopamine D2 receptor
50044714	2	ChEMBL_1439002 (CHEMBL3383109)	Inhibition of human dopamine D1 receptor
50044714	3	ChEMBL_1439004 (CHEMBL3383111)	Inhibition of human dopamine D3 receptor
50044714	4	ChEMBL_1439005 (CHEMBL3383112)	Inhibition of human dopamine D4 receptor
50044714	5	ChEMBL_1439009 (CHEMBL3383656)	Inhibition of human dopamine D2L receptor
50044714	6	ChEMBL_1439017 (CHEMBL3383664)	Inhibition of human CYP1A2 by electrospray ionization
50044714	7	ChEMBL_1439018 (CHEMBL3383665)	Inhibition of human CYP2C9 by electrospray ionization
50044714	8	ChEMBL_1439019 (CHEMBL3383666)	Inhibition of human CYP2D6 by electrospray ionization
50044714	9	ChEMBL_1439020 (CHEMBL3383667)	Inhibition of human CYP3A4 by electrospray ionization
50044715	1	ChEMBL_1439748 (CHEMBL3385584)	Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method
50044716	1	ChEMBL_1441304 (CHEMBL3371548)	Inhibition of human CD38 catalytic domain assessed as reduction in cADPR hydrolysis incubated for 10 mins by fluorimetric cycling assay
50044717	1	ChEMBL_1442173 (CHEMBL3375246)	Inhibition of recombinant mouse AChE by Ellman method
50044717	2	ChEMBL_1442172 (CHEMBL3375245)	Inhibition of recombinant human BChE by Ellman method
50044717	3	ChEMBL_1442176 (CHEMBL3375249)	Inhibition of recombinant human BChE at 50 nM by stopped flow apparatus method
50044717	4	ChEMBL_1442181 (CHEMBL3375254)	Inhibition of AChE (unknown origin)
50044718	1	ChEMBL_1442965 (CHEMBL3378363)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting
50044718	2	ChEMBL_1442966 (CHEMBL3378364)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting
50044719	1	ChEMBL_1442971 (CHEMBL3378916)	Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr905 phosphorylation at 0.5 to 10 uM incubated for 2 hrs by immunoblotting method
50044719	2	ChEMBL_1442970 (CHEMBL3378915)	Inhibition of RET (unknown origin) pre-incubated for 20 mins before substrate addition in presence of 9 uM ATP by microfluidic assay
50044719	3	ChEMBL_1442969 (CHEMBL3378914)	Inhibition of RET (unknown origin) pre-incubated for 3 mins before substrate addition in presence of 9 uM ATP by microfluidic assay
50044719	4	ChEMBL_1442968 (CHEMBL3378366)	Inhibition of RET (unknown origin) pre-incubated for 0 mins before substrate addition in presence of 9 uM ATP by microfluidic assay
50044719	5	ChEMBL_1442967 (CHEMBL3378365)	Inhibition of RET (unknown origin) pre-incubated for 60 mins before substrate addition in presence of 9 uM ATP by microfluidic assay
50044719	6	ChEMBL_1442972 (CHEMBL3378917)	Inhibition of RET C634R mutant (unknown origin) expressed in rat RAT1 cells assessed as reduction in Tyr1062 phosphorylation at 0.5 to 10 uM incubated for 2 hrs by immunoblotting method
50044720	1	ChEMBL_1442976 (CHEMBL3378921)	Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of ACh-induced current at holding potential of -80 mV measured as ACh EC50 at 1 uM by electrophysiology (Rvb = 176 uM)
50044720	2	ChEMBL_1442973 (CHEMBL3378918)	Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte assessed as potentiation of 200 uM ACh-induced current at holding potential of -80 mV by electrophysiology
50044721	1	ChEMBL_1443002 (CHEMBL3379480)	Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50044721	2	ChEMBL_1443003 (CHEMBL3379481)	Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50044721	3	ChEMBL_1443004 (CHEMBL3379482)	Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay
50013408	1	ChEMBL_216593 (CHEMBL821384)	Inhibitory constant for murine Wild-type dihydrofolate reductase (DHFR)
50013408	2	ChEMBL_138607 (CHEMBL746911)	Inhibitory constant for F31A/F34A murine dihydrofolate reductase (DHFR)
50013411	6	ChEMBL_55433 (CHEMBL667626)	Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations
50013411	3	ChEMBL_55430 (CHEMBL667623)	Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations
50013411	5	ChEMBL_55431 (CHEMBL667624)	Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation
50013411	2	ChEMBL_55429 (CHEMBL667622)	Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations
50013411	4	ChEMBL_55432 (CHEMBL667625)	Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation
50013411	1	ChEMBL_55399 (CHEMBL668408)	Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase)
50044721	4	ChEMBL_1443001 (CHEMBL3379479)	Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50044721	5	ChEMBL_1443000 (CHEMBL3379478)	Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50013416	3	ChEMBL_90285 (CHEMBL697504)	Inhibition of Insulin-like growth factor I receptor
50013416	6	ChEMBL_214115 (CHEMBL820701)	Inhibition of Vascular endothelial growth factor receptor 2
50013416	4	ChEMBL_210889 (CHEMBL814621)	Inhibition of Tyrosine protein kinase receptor TIE-2
50013416	1	ChEMBL_67054 (CHEMBL674103)	Inhibition of Epidermal growth factor receptor
50013416	2	ChEMBL_65264 (CHEMBL673955)	Inhibition of ERBB2 receptor kinase
50044721	6	ChEMBL_1443005 (CHEMBL3379483)	Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50044721	7	ChEMBL_1443006 (CHEMBL3379484)	Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay
50044721	8	ChEMBL_1443015 (CHEMBL3379493)	Inhibition of HDAC-mediated tubulin deacetylation in human NCI-H460 cells after 3 hrs by Western blot analysis
50044721	9	ChEMBL_1443016 (CHEMBL3379494)	Inhibition of HDAC-mediated histone H4 deacetylation in human NCI-H460 cells after 3 hrs by Western blot analysis
50044722	1	ChEMBL_1432214 (CHEMBL3382019)	Inhibition of GARFTase in human KB cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs by ion-exchange chromatography
50044722	2	ChEMBL_1432211 (CHEMBL3382016)	Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in PCFT-mediated [3H]MTX transport at pH 5.5 and 37 degC incubated for 5 mins
50044722	3	ChEMBL_1431349 (CHEMBL3387475)	Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay
50013421	2	ChEMBL_68795 (CHEMBL683434)	Binding affinity towards Fc-epsilon RI-alpha human mast cell receptor was determined
50013421	1	ChEMBL_68796 (CHEMBL683435)	Binding affinity towards Fc-epsilon RI-alpha mast cell receptor human mast cell receptor was determined
50013424	7	ChEMBL_949 (CHEMBL616128)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1A receptor
50013424	12	ChEMBL_1726 (CHEMBL616931)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D receptor
50013424	8	ChEMBL_2870 (CHEMBL617412)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2B receptor
50013424	9	ChEMBL_2087 (CHEMBL616730)	In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor
50013424	13	ChEMBL_1355 (CHEMBL616540)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1B receptor
50013424	4	ChEMBL_2308 (CHEMBL617515)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2A receptor
50013424	1	ChEMBL_3305 (CHEMBL619006)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 4 receptor
50013424	6	ChEMBL_2073 (CHEMBL616717)	In vitro effective concentration for stimulation of [35S]GTP-gamma-S, binding in mouse LM(tk-)cells expressing the human 5-HT1F receptor
50013424	11	ChEMBL_2726 (CHEMBL617286)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 2C receptor
50013424	5	ChEMBL_2074 (CHEMBL616718)	In vitro effective concentration for stimulation of [35S]GTP-gamma-S, binding in mouse LM(tk-)cells expressing the human 5-hydroxytryptamine 1F receptor
50013424	2	ChEMBL_2054 (CHEMBL616850)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1E receptor
50013424	3	ChEMBL_3628 (CHEMBL618240)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 6 receptor
50013424	10	ChEMBL_3700 (CHEMBL621549)	In vitro binding affinity by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 7 receptor
50013428	7	ChEMBL_106688 (CHEMBL714669)	Activity tested at cloned rat Metabotropic glutamate receptor 4 expressed in Chinese Hamster Ovary (CHO) cells
50013428	9	ChEMBL_106698 (CHEMBL714000)	Inhibitory constant against cloned rat Metabotropic glutamate receptor 4 expressed in Chinese Hamster Ovary (CHO) cells
50013428	5	ChEMBL_192671 (CHEMBL797552)	Activity tested at cloned rat mGluR2 receptor expressed in Chinese Hamster Ovary (CHO) cells
50013428	12	ChEMBL_104279 (CHEMBL711714)	Activity tested at cloned rat Metabotropic glutamate receptor 5 expressed in Chinese Hamster Ovary (CHO) cells
50013428	6	ChEMBL_104295 (CHEMBL709910)	Inhibitory constant against cloned rat Metabotropic glutamate receptor 5 expressed in Chinese Hamster Ovary (CHO) cells
50013428	1	ChEMBL_105735 (CHEMBL877751)	Inhibitory constant against cloned rat Metabotropic glutamate receptor 1 expressed in Chinese Hamster Ovary (CHO) cells
50013428	8	ChEMBL_106697 (CHEMBL713999)	Inhibitory constant against cloned rat Metabotropic glutamate receptor 4 expressed in Chinese Hamster Ovary (CHO) cells
50013428	10	ChEMBL_105713 (CHEMBL719080)	Activity tested at cloned rat Metabotropic glutamate receptor 1 expressed in Chinese Hamster Ovary (CHO) cells
50044722	4	ChEMBL_1431348 (CHEMBL3387474)	Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs in presence of 200 nM folic acid by Celltiter-blue cell viability assay
50013428	2	ChEMBL_105736 (CHEMBL716135)	Inhibitory constant against cloned rat Metabotropic glutamate receptor 1 expressed in Chinese Hamster Ovary (CHO) cells
50013430	4	ChEMBL_215652 (CHEMBL820262)	In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]RTX displacement.
50013430	5	ChEMBL_215642 (CHEMBL820959)	In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (VR1) expressing CHO cells
50013430	1	ChEMBL_215649 (CHEMBL820259)	Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells
50013430	2	ChEMBL_215654 (CHEMBL820264)	In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicin
50044722	5	ChEMBL_1431347 (CHEMBL3387473)	Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay
50044722	6	ChEMBL_1431346 (CHEMBL3387472)	Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs in presence of 200 nM folic acid by Celltiter-blue cell viability assay
50044722	7	ChEMBL_1431345 (CHEMBL3387471)	Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay
50044722	8	ChEMBL_1431343 (CHEMBL3387469)	Inhibition of RFC (unknown origin) expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-blue cell viability assay
50044723	1	ChEMBL_1433094 (CHEMBL3386351)	Inhibition of HDAC6 in human A549 cells assessed as tubulin acetylation after 17 to 18 hrs by cytoblot assay
50044723	2	ChEMBL_1433098 (CHEMBL3386355)	Inhibition of HDAC1 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	3	ChEMBL_1433099 (CHEMBL3386356)	Inhibition of HDAC2 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	4	ChEMBL_1433100 (CHEMBL3386357)	Inhibition of HDAC3 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	5	ChEMBL_1433101 (CHEMBL3386358)	Inhibition of HDAC4 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	6	ChEMBL_1433102 (CHEMBL3386359)	Inhibition of HDAC5 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	7	ChEMBL_1433103 (CHEMBL3386360)	Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	8	ChEMBL_1433104 (CHEMBL3386361)	Inhibition of HDAC7 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	9	ChEMBL_1433105 (CHEMBL3386362)	Inhibition of HDAC8 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	10	ChEMBL_1433106 (CHEMBL3386363)	Inhibition of HDAC9 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	11	ChEMBL_1433107 (CHEMBL3386364)	Inhibition of HDAC10 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50044723	12	ChEMBL_1433108 (CHEMBL3386365)	Inhibition of HDAC11 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay
50013433	3	ChEMBL_210503 (CHEMBL811898)	Binding affinity of compound was determined against thyroid hormone receptor beta 1
50013433	2	ChEMBL_210492 (CHEMBL814599)	Binding affinity of compound was determined against Thyroid hormone receptor alpha1
50013433	1	ChEMBL_210504 (CHEMBL811899)	Binding affinity of compound was determined against thyroid hormone receptor beta 1
50044724	1	ChEMBL_1433936 (CHEMBL3389994)	Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis
50044725	1	ChEMBL_1433959 (CHEMBL3390017)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by scintillation counting method
50044726	1	ChEMBL_1433963 (CHEMBL3390021)	Inhibition of human NMT1 using GSNKSKPKDASQRRR-NH2 as substrate by CPM fluorescence assay
50044727	1	ChEMBL_1435384 (CHEMBL3383458)	Inhibition of mouse CYP27B1 by cell-free assay
50044727	2	ChEMBL_1435383 (CHEMBL3383457)	Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay
50044728	1	ChEMBL_1435391 (CHEMBL3383465)	Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigenin-/biotin-labeled dUTP nucleotides incubated for 1 hr
50024090	1	ChEMBL_503946 (CHEMBL985793)	Inhibition of electric eel AChE by modified Ellman method
50024090	2	ChEMBL_503947 (CHEMBL985794)	Inhibition of BChE
50024101	1	ChEMBL_504036 (CHEMBL992088)	Agonist activity at ERbeta by fluorescence polarization assay
50013439	1	ChEMBL_105898 (CHEMBL717759)	Effective concentration against Metabotropic glutamate receptor 2
50013439	3	ChEMBL_106031 (CHEMBL718203)	Ability to displace [3H]LY-341,495 at glutamate-site on Metabotropic glutamate receptor 2; No significant displacement
50013439	2	ChEMBL_106371 (CHEMBL718737)	Effective concentration against human cloned Metabotropic glutamate receptor 3
50013440	1	ChEMBL_91707 (CHEMBL702365)	Effect on resting membrane potential in SH-SY5Y human neuroblastoma cells expressing native KCNQ channels
50013440	2	ChEMBL_219172 (CHEMBL821683)	Induced current in Xenopus laevis oocytes expressing cloned mKCNQ2 channels
50013441	1	ChEMBL_145904 (CHEMBL750393)	Opioid receptor delta 1 agonism in mouse vas deferens
50013441	3	ChEMBL_146920 (CHEMBL757508)	Binding affinity for Opioid receptor delta 1 using [3H]DPDPE in rat brain P2 synaptosomal preparation
50013441	2	ChEMBL_148859 (CHEMBL756655)	Binding affinity for Opioid receptor mu 1 using [3H]DAGO in rat brain P2 synaptosomal preparation
50013443	1	ChEMBL_46808 (CHEMBL873202)	Binding affinity against rat brain Cannabinoid receptor 1 using [3H]CP-55940
50013443	2	ChEMBL_40028 (CHEMBL653009)	Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55940 as radioligand
50013443	3	ChEMBL_47002 (CHEMBL658971)	Compound was tested for its binding affinity against mouse spleen Cannabinoid receptor 2 using [3H]CP-55940 as radioligand
50044729	1	ChEMBL_1435423 (CHEMBL3384065)	Inhibition of HDAC6 (unknown origin)
50044729	2	ChEMBL_1435424 (CHEMBL3384066)	Inhibition of HDAC8 (unknown origin)
50044729	3	ChEMBL_1435420 (CHEMBL3384062)	Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay
50044729	4	ChEMBL_1435419 (CHEMBL3384061)	Inhibition of HDAC8 (unknown origin) after 15 mins by fluorescence assay
50044729	5	ChEMBL_1435429 (CHEMBL3384071)	Inhibition of HDAC6 in human LNCAP cells assessed as tubulin acetylation by Western blot analysis
50044730	1	ChEMBL_1436814 (CHEMBL3386599)	Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin challenge measured after 30 mins by TR-FRET assay
50044730	2	ChEMBL_1436815 (CHEMBL3386600)	Agonist activity at human APJ receptor expressed in Chem-5 cells assessed as calcium mobilization by FLIPR assay
50044730	3	ChEMBL_1436819 (CHEMBL3386604)	Agonist activity at beta-2 adrenergic receptor (unknown origin) expressed in CHOK1 cells by HTRF cAMP immunoassay
50044730	4	ChEMBL_1436820 (CHEMBL3386605)	Agonist activity at 5HT1A receptor (unknown origin) expressed in HeLa cells after 3 mins by calcium flux/FLIPR assay
50044730	5	ChEMBL_1436821 (CHEMBL3386606)	Agonist activity at 5HT2A receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay
50044730	6	ChEMBL_1436822 (CHEMBL3386607)	Agonist activity at 5HT2B receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay
50044730	7	ChEMBL_1436823 (CHEMBL3386608)	Agonist activity at CB1 receptor (unknown origin) expressed in rat CHEM-1 cells after 3 mins by calcium flux/FLIPR assay
50044730	8	ChEMBL_1436824 (CHEMBL3386609)	Agonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay
50044730	9	ChEMBL_1436825 (CHEMBL3386610)	Agonist activity at alpha-2A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay
50044730	10	ChEMBL_1436826 (CHEMBL3387199)	Agonist activity at D1A receptor (unknown origin) expressed in CHOK1 cells by HTRF cAMP immunoassay
50044730	11	ChEMBL_1436827 (CHEMBL3387200)	Agonist activity at muscarinic acetylcholine receptor M2 (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay
50044730	12	ChEMBL_1436828 (CHEMBL3387201)	Agonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 3 mins by calcium flux/FLIPR assay
50044730	13	ChEMBL_1436829 (CHEMBL3387202)	Antagonist activity at 5HT1A receptor (unknown origin) expressed in HeLa cells after 15 mins by calcium flux/FLIPR assay in presence of R-(+)-8-OH-DPAT
50044730	14	ChEMBL_1436830 (CHEMBL3387203)	Antagonist activity at 5HT2A receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of 5HT
50044730	15	ChEMBL_1436831 (CHEMBL3387204)	Antagonist activity at 5HT2B receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of BW723C86
50044730	16	ChEMBL_1436832 (CHEMBL3387205)	Antagonist activity at CB1 receptor (unknown origin) expressed in rat CHEM-1 cells after 15 mins by calcium flux/FLIPR assay in presence of CP55940
50044730	17	ChEMBL_1436833 (CHEMBL3387206)	Antagonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of A-61603
50044730	18	ChEMBL_1436834 (CHEMBL3387207)	Antagonist activity at alpha-2A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of UK14304
50044730	19	ChEMBL_1436835 (CHEMBL3387208)	Antagonist activity at D1A receptor (unknown origin) expressed in CHOK1 cells after 5 mins by HTRF cAMP immunoassay in presence of cAMP/SKF38393
50044730	20	ChEMBL_1436836 (CHEMBL3387209)	Antagonist activity at muscarinic acetylcholine receptor M2 (unknown origin) expressed in CHOK1 cells after 15 mins by calcium flux/FLIPR assay in presence of acetylcholine
50044730	21	ChEMBL_1436837 (CHEMBL3387210)	Antagonist activity at thromboxane A2 receptor (unknown origin) expressed in HEK293-EBNA cells after 15 mins by calcium flux/FLIPR assay in presence of U-46619
50044731	1	ChEMBL_1436858 (CHEMBL3387231)	Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
50013445	1	ChEMBL_152207 (CHEMBL758926)	Anti-HIV-1 activity determined in human peripheral blood mononuclear PBM cells, expressed as EC50
50013446	1	ChEMBL_63502 (CHEMBL678230)	Potency at Endothelin A receptor was determined
50013451	1	ChEMBL_50664 (CHEMBL660787)	Inhibition of Cyclin-dependent kinase 2 (CDK2)
50044731	2	ChEMBL_1436859 (CHEMBL3387232)	Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
50044732	1	ChEMBL_1436866 (CHEMBL3387788)	Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis
50044733	1	ChEMBL_1439798 (CHEMBL3386760)	Inhibition of carbonic anhydrase (unknown origin)
50044733	2	ChEMBL_1439804 (CHEMBL3386766)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide substrate incubated for 30 mins by spectrophotometry
50044734	1	ChEMBL_1441400 (CHEMBL3372778)	Displacement of [125I]His3, MePhe7 from human NK3R expressed in CHO cell membranes by scintillation counting
50044734	2	ChEMBL_1441401 (CHEMBL3373356)	Agonist activity at human NK3R expressed in CHO cells assessed as induction of Ca2+ influx by scintillation counting
50044734	3	ChEMBL_1441404 (CHEMBL3373359)	Agonist activity at human NK3R expressed in CHO cells assessed as potentiation of senktide-induced effect
50044734	4	ChEMBL_1441405 (CHEMBL3373360)	Agonist activity at rat NK3R
50044735	1	ChEMBL_1442242 (CHEMBL3376491)	Agonist activity at FXR (unknown origin) expressed in human HepG2 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs by FXR response element driven HSP27-TK-luciferase reporter gene assay
50044735	2	ChEMBL_1442243 (CHEMBL3376492)	Agonist activity at GP-BAR1 (unknown origin) in human HEK293 cells assessed as receptor transactivation at 100 nM to 50 uM incubated for 16 hrs by CRE-driven luciferase reporter gene assay
50044736	1	ChEMBL_1433153 (CHEMBL3387553)	Inhibition of human recombinant PKC-theta after 60 mins by 33P-ATP incorporation assay
50044736	2	ChEMBL_1432312 (CHEMBL3383292)	Inhibition of ROCK-1 (unknown origin)
50044736	3	ChEMBL_1433145 (CHEMBL3386997)	Inhibition of human recombinant ROCK-2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate after 40 mins by scintillation counting analysis
50044736	4	ChEMBL_1433150 (CHEMBL3387550)	Inhibition of PKN-1 (unknown origin)
50044736	5	ChEMBL_1433151 (CHEMBL3387551)	Inhibition of human recombinant PKN-2 using AKRRRLSSLRA as substrate after 40 mins by scintillation counting analysis
50044736	6	ChEMBL_1433152 (CHEMBL3387552)	Inhibition of human recombinant PKC-eta after 60 mins by 33P-ATP incorporation assay
50044737	1	ChEMBL_1433182 (CHEMBL3387582)	Antagonist activity at human OX1R I408V mutant expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay
50044737	2	ChEMBL_1433179 (CHEMBL3387579)	Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells after 3 hrs by topcount analysis
50044737	3	ChEMBL_1433180 (CHEMBL3387580)	Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408V mutant expressed in CHO cells by topcount analysis
50013461	1	ChEBML_26	In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase
50044737	4	ChEMBL_1433181 (CHEMBL3387581)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of Ala-6,12-orexinA-induced effect after 5 mins by FLIPR assay
50013467	1	ChEBML_38768	In vitro effective concentration against beta-3 adrenergic receptor.
50044737	5	ChEMBL_1433194 (CHEMBL3387594)	Reversible inhibition of CYP3A4 (unknown origin)
50044737	6	ChEMBL_1433195 (CHEMBL3387595)	Reversible inhibition of CYP2C9 (unknown origin)
50044737	7	ChEMBL_1433196 (CHEMBL3387596)	Reversible inhibition of CYP2D6 (unknown origin)
50044737	8	ChEMBL_1433197 (CHEMBL3387597)	Activation of PXR (unknown origin)
50044737	9	ChEMBL_1433186 (CHEMBL3387586)	Time dependent inhibition of CYP3A4 (unknown origin)
50044738	1	ChEMBL_1434016 (CHEMBL3381488)	Displacement of [3H]U-69593 from guinea pig cerebellum KOR
50044738	2	ChEMBL_1434014 (CHEMBL3381486)	Displacement of [3H]DAMGO from mouse whole brain MOR
50013469	1	ChEBML_51266	Affinity for Corticotropin releasing factor receptor 1 on IMR-32 (human neuroblastoma) cells by [125I]-sauvagine displacement.
50013470	1	ChEBML_44471	Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined
50013471	1	ChEBML_159655	Inhibition of human recombinant Poly (ADP-ribose) polymerase 1
50044738	3	ChEMBL_1434015 (CHEMBL3381487)	Displacement of [3H]DPDPE from mouse whole brain DOR
50044738	4	ChEMBL_1434017 (CHEMBL3381489)	Agonist activity at human MOR expressed in CHO cells by [35S]GTPgammaS binding assay
50044738	5	ChEMBL_1434019 (CHEMBL3381491)	Agonist activity at human DOR expressed in CHO cells by [35S]GTPgammaS binding assay
50044738	6	ChEMBL_1434021 (CHEMBL3381493)	Agonist activity at human KOR expressed in CHO cells by [35S]GTPgammaS binding assay
50044738	7	ChEMBL_1434023 (CHEMBL3381495)	Agonist activity at KOR (unknown origin)
50044738	8	ChEMBL_1434024 (CHEMBL3381496)	Agonist activity at MOR (unknown origin)
50044739	1	ChEMBL_1434042 (CHEMBL3381514)	Inhibition of DYRK1A (unknown origin)
50044739	2	ChEMBL_1434045 (CHEMBL3381517)	Inhibition of p110alpha (unknown origin)
50044740	1	ChEMBL_1434714 (CHEMBL3382829)	Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD4 (1 to 477 aa) (unknown origin) after 1 hr by TR-FRET assay
50044740	2	ChEMBL_1434712 (CHEMBL3382827)	Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD2 (1 to 473 aa) (unknown origin) after 1 hr by TR-FRET assay
50044740	3	ChEMBL_1434713 (CHEMBL3382828)	Displacement of biotinylated tetra-acetylated histone H4 from His6-tagged BRD3 (1 to 475 aa) (unknown origin) after 1 hr by TR-FRET assay
50013479	1	ChEBML_162258	Inhibition of human Protein-tyrosine phosphatase 1B
50013479	3	ChEBML_207124	Compound was tested for selectivity against human T cell protein tyrosine phosphatase
50013479	2	ChEBML_97142	Compound was tested for selectivity against LAR
50013480	1	ChEBML_2632	Binding affinity towards 5-hydroxytryptamine 2A receptor sites by using [3H]ketanserin as radioligand
50013481	3	ChEBML_210868	Inhibition of Tyrosine phosphatase from Yersinia pestis expressed in Escherichia coli BL21 (DE3) cells
50013481	2	ChEBML_162261	Inhibition of human Protein-tyrosine phosphatase 1B expressed in Escherichia coli BL21 (DE3) cells
50013481	1	ChEMBL_162416 (CHEMBL771819)	Inhibitory potency against human Protein-tyrosine phosphatase 1B expressed in Escherichia coli BL21 (DE3) cells
50013482	4	ChEMBL_38041 (CHEMBL650496)	Inhibition of mouse melanoma B16-F10 cell adhesion to fibronectin
50013482	2	ChEBML_68489	Inhibition of Farnesyltransferase by Scintillation Proximity Assay
50013482	5	ChEMBL_70272 (CHEMBL681411)	In vitro inhibition of farnesylation of v-Ki-Ras by bovine farnesyl transferase
50013483	4	ChEBML_202620	Inhibition of Src protein tyrosine kinase
50013483	3	ChEBML_69451	Inhibition of Fyn protein kinase
50013483	1	ChEMBL_202620 (CHEMBL805365)	Inhibition of Src protein tyrosine kinase
50013483	6	ChEMBL_69446 (CHEMBL680971)	Inhibition of Fyn protein kinase
50013487	1	ChEBML_44674	Inhibition of binding of [125I]IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes
50044740	4	ChEMBL_1434723 (CHEMBL3382838)	Inhibition of CYP1A2 (unknown origin) expressed in Escherichia coli bactosomes using ethoxyresorufin as substrate after 10 mins by fluorescence assay
50044740	5	ChEMBL_1434724 (CHEMBL3382839)	Inhibition of CYP2C9 (unknown origin) expressed in Escherichia coli bactosomes using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 10 mins by fluorescence assay
50044740	6	ChEMBL_1434725 (CHEMBL3382840)	Inhibition of CYP2C19 (unknown origin) expressed in Escherichia coli bactosomes using 3-butyryl-7-methoxycoumarin as substrate after 10 mins by fluorescence assay
50044740	7	ChEMBL_1434732 (CHEMBL3383401)	Binding affinity to His6-tagged BRD4 (1 to 477 aa) (unknown origin) by ITC method
50044740	8	ChEMBL_1434733 (CHEMBL3383402)	Binding affinity to CREBBP (unknown origin) by ITC method
50044740	9	ChEMBL_1434734 (CHEMBL3383403)	Inhibition of human ATAD2 by BROMOscan assay
50044740	10	ChEMBL_1434735 (CHEMBL3383404)	Inhibition of human ATAD2B by BROMOscan assay
50044740	11	ChEMBL_1434736 (CHEMBL3383405)	Inhibition of human BAZ2A by BROMOscan assay
50044740	12	ChEMBL_1434737 (CHEMBL3383406)	Inhibition of BAZ2B (unknown origin) by BROMOscan assay
50044740	13	ChEMBL_1434738 (CHEMBL3383407)	Inhibition of human BPTF by BROMOscan assay
50044740	14	ChEMBL_1434739 (CHEMBL3383408)	Inhibition of human BRD2 bromodomain 1 by BROMOscan assay
50044740	15	ChEMBL_1434740 (CHEMBL3383409)	Inhibition of human BRD2 bromodomain 2 by BROMOscan assay
50044740	16	ChEMBL_1434741 (CHEMBL3383410)	Inhibition of human BRD3 bromodomain 1 by BROMOscan assay
50044740	17	ChEMBL_1434742 (CHEMBL3383411)	Inhibition of human BRD3 bromodomain 2 by BROMOscan assay
50044740	18	ChEMBL_1434743 (CHEMBL3383412)	Inhibition of human BRD4 bromodomain 1 by BROMOscan assay
50044740	19	ChEMBL_1434744 (CHEMBL3383413)	Inhibition of human BRD4 bromodomain 2 by BROMOscan assay
50044740	20	ChEMBL_1434747 (CHEMBL3383416)	Inhibition of human BRD4 bromodomain 1/2 by BROMOscan assay
50044740	21	ChEMBL_1434748 (CHEMBL3383417)	Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay
50044740	22	ChEMBL_1434746 (CHEMBL3383415)	Inhibition of human BRD7 by BROMOscan assay
50044740	23	ChEMBL_1434745 (CHEMBL3383414)	Inhibition of human BRD9 by BROMOscan assay
50044740	24	ChEMBL_1434749 (CHEMBL3383418)	Inhibition of human BRDT bromodomain 1 by BROMOscan assay
50044740	25	ChEMBL_1434750 (CHEMBL3383419)	Inhibition of human BRDT bromodomain 2 by BROMOscan assay
50044740	26	ChEMBL_1434726 (CHEMBL3382841)	Inhibition of recombinant human CYP2D6 expressed in Escherichia coli bactosomes using 4-methylaminomethyl-7-methoyxycoumarin as substrate after 10 mins by fluorescence assay
50044740	27	ChEMBL_1434727 (CHEMBL3382842)	Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using 7-benzloxyquinolone as substrate after 10 mins by fluorescence assay
50044740	28	ChEMBL_1434728 (CHEMBL3382843)	Inhibition of human recombinant CYP3A4 expressed in Escherichia coli bactosomes using diethoxyfluorescein as substrate after 10 mins by fluorescence assay
50044740	29	ChEMBL_1434729 (CHEMBL3382844)	Binding affinity to His6-tagged BRD2 (1 to 473 aa) (unknown origin) by SPR method
50044740	30	ChEMBL_1434730 (CHEMBL3382845)	Binding affinity to His6-tagged BRD3 (1 to 475 aa) (unknown origin) by SPR method
50044740	31	ChEMBL_1434731 (CHEMBL3382846)	Binding affinity to His6-tagged BRD4 (1 to 477 aa) (unknown origin) by SPR method
50044740	32	ChEMBL_1434751 (CHEMBL3383420)	Inhibition of human BRPF1 by BROMOscan assay
50044740	33	ChEMBL_1434752 (CHEMBL3383421)	Inhibition of human BRPF3 by BROMOscan assay
50044740	34	ChEMBL_1434753 (CHEMBL3383422)	Inhibition of human CECR2 by BROMOscan assay
50044740	35	ChEMBL_1434754 (CHEMBL3383423)	Inhibition of human CREBBP by BROMOscan assay
50044740	36	ChEMBL_1434755 (CHEMBL3383424)	Inhibition of human EP300 by BROMOscan assay
50044740	37	ChEMBL_1434756 (CHEMBL3383425)	Inhibition of human GCN5 by BROMOscan assay
50044740	38	ChEMBL_1434757 (CHEMBL3383426)	Inhibition of human PBRM1 bromodomain 1 by BROMOscan assay
50044740	39	ChEMBL_1434758 (CHEMBL3383427)	Inhibition of human PBRM1 bromodomain 5 by BROMOscan assay
50044740	40	ChEMBL_1434759 (CHEMBL3383428)	Inhibition of human PCAF by BROMOscan assay
50044740	41	ChEMBL_1434760 (CHEMBL3383429)	Inhibition of human SMARCA2 by BROMOscan assay
50044740	42	ChEMBL_1434761 (CHEMBL3383430)	Inhibition of human TAF1 by BROMOscan assay
50044740	43	ChEMBL_1434762 (CHEMBL3383431)	Inhibition of human TAF1L by BROMOscan assay
50044740	44	ChEMBL_1434763 (CHEMBL3383432)	Inhibition of human TIF1alpha bromodomain by BROMOscan assay
50044740	45	ChEMBL_1434764 (CHEMBL3383433)	Inhibition of human TIF1alpha PHD/bromodomain by BROMOscan assay
50044740	46	ChEMBL_1434765 (CHEMBL3383434)	Inhibition of human TIF1gamma PHD/bromodomain by BROMOscan assay
50044740	47	ChEMBL_1434766 (CHEMBL3383435)	Inhibition of human WDR2 bromodomain 2 by BROMOscan assay
50044740	48	ChEMBL_1434767 (CHEMBL3383436)	Inhibition of human WDR9 bromodomain 2 by BROMOscan assay
50044740	49	ChEMBL_1434768 (CHEMBL3383437)	Inhibition of human BRD1 by BROMOscan assay
50044740	50	ChEMBL_1435464 (CHEMBL3384679)	Inhibition of BRDT (unknown origin) by TR-FRET assay
50044741	1	ChEMBL_1435478 (CHEMBL3384693)	Inhibition of intestinal lactase (unknown origin)
50044741	2	ChEMBL_1435479 (CHEMBL3384694)	Inhibition of intestinal maltase (unknown origin)
50044741	3	ChEMBL_1435474 (CHEMBL3384689)	Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide
50044741	4	ChEMBL_1435475 (CHEMBL3384690)	Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry
50044741	5	ChEMBL_1435476 (CHEMBL3384691)	Inhibition of GBA2 (unknown origin)
50044741	6	ChEMBL_1435477 (CHEMBL3384692)	Inhibition of intestinal sucrase (unknown origin)
50013493	1	ChEBML_36132	Dissociation constant against GST-hARLBD was measured in SC-3 cell by using [3H]testosterone as radioligand
50013493	2	ChEMBL_36135 (CHEMBL648324)	Binding affinity against GST-hARLBD was measured in SC-3 cell by using [3H]testosterone as radioligand
50013504	1	ChEBML_154178	Inhibition against Escherichia coli peptide deformylase
50013509	5	ChEBML_106150	Inhibition of recombinant human matrix metalloprotease-1
50013509	2	ChEBML_207327	Inhibition of recombinant human TNF-alpha converting enzyme (TACE)
50013509	3	ChEBML_104872	Inhibition of recombinant human matrix metalloprotease-3
50013509	1	ChEMBL_207326 (CHEMBL805970)	Inhibition of recombinant human TNF-alpha converting enzyme
50013510	1	ChEBML_104873	Inhibition of recombinant human matrix metalloprotease-3
50013510	3	ChEBML_106151	Inhibition of Recombinant human matrix metalloprotease-1
50013510	2	ChEBML_212916	Inhibition of recombinant human tumor necrosis factor-alpha converting enzyme
50013510	4	ChEMBL_106152 (CHEMBL718848)	Inhibition of recombinant human matrix metalloprotease-1
50013514	2	ChEBML_45232	Inhibitory activity against human carbonic anhydrase II (hCA II)
50013514	1	ChEBML_45428	Inhibitory activity against Carbonic anhydrase IV
50044742	1	ChEMBL_1436169 (CHEMBL3385954)	Agonist activity at human TLR4 expressed in HEK293 cells coexpressed with human MD2/CD14 assessed as activation of NFkappaB signaling after 20 to 24 hrs by NFkappaB reporter assay
50044743	1	ChEMBL_1436191 (CHEMBL3386553)	Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50044743	2	ChEMBL_1436190 (CHEMBL3386552)	Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50013521	2	ChEBML_153406	In vitro binding affinity against human Peroxisome proliferator activated receptor alpha
50013521	5	ChEMBL_153399 (CHEMBL763852)	In vitro transcriptional activation in COS cells expressing human peroxisome proliferator activated receptor alpha PPAR-GAL4 chimera
50044743	3	ChEMBL_1436192 (CHEMBL3386554)	Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50013521	4	ChEMBL_89032 (CHEMBL696408)	In vitro binding affinity for human PPAR alpha receptor
50044743	4	ChEMBL_1436193 (CHEMBL3386555)	Inhibition of human recombinant carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50044744	1	ChEMBL_1436199 (CHEMBL3386561)	Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis
50013522	4	ChEMBL_106634 (CHEMBL717018)	In vitro inhibition of Matrix metalloprotein 13
50013522	2	ChEBML_106294	In vitro inhibition of Matrix metalloprotein 1
50013522	7	ChEBML_212918	In vitro inhibition of tumor necrosis factor-alpha converting enzyme
50013522	1	ChEBML_106634	In vitro inhibition of Matrix metalloprotein 13
50044744	2	ChEMBL_1436200 (CHEMBL3386562)	Inhibition of Mycobacterium tuberculosis IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis
50013522	3	ChEMBL_106295 (CHEMBL714551)	Inhibition of Matrix metalloprotein 1 at 10 uM
50013525	4	ChEMBL_162277 (CHEMBL770975)	Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined
50013525	2	ChEMBL_42593 (CHEMBL655822)	Inhibitory activity against (calcineurin) was determined
50013525	5	ChEMBL_207134 (CHEMBL805118)	Inhibitory constant against T cell protein tyrosine phosphatase
50013525	9	ChEMBL_162274 (CHEMBL770822)	Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined
50013525	8	ChEMBL_40071 (CHEMBL655667)	Inhibitory activity against CD45 tyrosine phosphatase was determined
50013525	6	ChEMBL_162278 (CHEMBL770976)	Inhibitory activity against protein-tyrosine phosphatase 1B (PTP 1B) was determined
50013525	7	ChEMBL_210879 (CHEMBL814611)	Inhibitory activity against SH-domain containing phosphotyrosine phosphatase-2 (Tyrosine phosphatase SHP2) was determined
50013525	1	ChEMBL_49197 (CHEMBL662918)	Inhibitory activity against Cell division cycle 25 degree C was determined
50013525	3	ChEMBL_49198 (CHEMBL662919)	Inhibitory activity against cell division cycle 25 degree C (Cdc25 C) was determined
50013526	1	ChEMBL_42210 (CHEMBL658311)	Transcriptional agonist activity in Chinese hamster ovary cells expressing human Estrogen Receptor alpha
50013528	1	ChEMBL_104798 (CHEMBL709685)	In vitro inhibitory activity against purified recombinant human Methionine Aminopeptidase 2 (MetAP2)
50013528	2	ChEMBL_104801 (CHEMBL709688)	In vitro inhibitory activity against purified recombinant human Methionine Aminopeptidase-2 (MetAP2)
50044745	1	ChEMBL_1436204 (CHEMBL3386566)	Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50013530	3	ChEMBL_159893 (CHEMBL766721)	In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined
50044745	2	ChEMBL_1436871 (CHEMBL3387793)	Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CXCL8-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50044745	3	ChEMBL_1436870 (CHEMBL3387792)	Antagonist activity at human CXCR1 expressed in HEK293 cells assessed as inhibition of CXCL8-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50044745	4	ChEMBL_1436869 (CHEMBL3387791)	Antagonist activity at fMLF receptor in human PMNs assessed as inhibition of fMLF-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50044745	5	ChEMBL_1436868 (CHEMBL3387790)	Antagonist activity at platelet-activating factor receptor in human PMNs assessed as inhibition of PAF-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50044745	6	ChEMBL_1436210 (CHEMBL3386572)	Antagonist activity at C5a receptor in human PMNs assessed as inhibition of C5a-induced intracellular Ca2+ release by fluorescence based calcium flux assay
50044745	7	ChEMBL_1436205 (CHEMBL3386567)	Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CVCL8-induced [35S]GTPgammaS binding after 60 mins
50044746	1	ChEMBL_1436875 (CHEMBL3387797)	Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50044746	2	ChEMBL_1436906 (CHEMBL3387828)	Agonist activity at AT1 receptor (unknown origin)
50044746	3	ChEMBL_1436921 (CHEMBL3388419)	Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50044747	1	ChEMBL_1437588 (CHEMBL3389652)	Activity at TGR5 in human NCI-H716 cells assessed as effect on intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay
50044747	2	ChEMBL_1437589 (CHEMBL3389653)	Activity at GAL4-tagged PPARdelta (unknown origin) expressed in COS7 cells assessed as receptor transactivation by luciferase reporter gene assay
50044747	3	ChEMBL_1437590 (CHEMBL3389654)	Activity at GAL4-tagged PPARgamma (unknown origin) expressed in COS7 cells assessed as receptor transactivation by luciferase reporter gene assay
50044747	4	ChEMBL_1437591 (CHEMBL3389655)	Activity at GAL4-tagged PPARalpha (unknown origin) expressed in COS7 cells assessed as receptor transactivation by luciferase reporter gene assay
50044747	5	ChEMBL_1436930 (CHEMBL3388428)	Agonist activity at FXR (unknown origin) by reporter gene assay
50044747	6	ChEMBL_1436929 (CHEMBL3388427)	Agonist activity at FXR (unknown origin) by coactivator recruitment assay
50044747	7	ChEMBL_1437553 (CHEMBL3389080)	Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay
50013531	2	ChEMBL_58964 (CHEMBL669521)	In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]WIN-35428 displacement.
50013531	1	ChEMBL_201336 (CHEMBL806185)	In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]citalopram displacement.
50013532	3	ChEMBL_106457 (CHEMBL719129)	Inhibition of human Matrix metalloprotease-12 (MMP-12)
50013532	2	ChEMBL_104371 (CHEMBL715832)	Inhibition of human Matrix metalloprotease-2 (MMP-2)
50013535	9	ChEMBL_104716 (CHEMBL710126)	Inhibition of human matrix metalloprotease-3 (MMP-3)
50013535	7	ChEMBL_105972 (CHEMBL715384)	Inhibition of human Matrix metalloprotease-1 (MMP-1)
50013535	3	ChEMBL_105034 (CHEMBL711548)	Inhibition of human matrix metalloprotease-7 (MMP-7)
50013535	5	ChEMBL_104373 (CHEMBL715834)	Inhibition of human matrix metalloprotease-2 (MMP-2)
50013535	8	ChEMBL_106471 (CHEMBL719141)	Inhibition of Matrix metalloprotease-13
50013535	1	ChEMBL_212597 (CHEMBL812730)	Inhibition of Tumor necrosis factor alpha converting enzyme (TACE)
50013535	2	ChEMBL_158891 (CHEMBL760879)	Inhibitory activity against Procollagen C-terminal proteinase (PCP)
50013536	3	ChEMBL_955 (CHEMBL616134)	Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50013536	6	ChEMBL_2567 (CHEMBL617114)	Tested for its ability to activate phospholipase C by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor
50013536	2	ChEMBL_2678 (CHEMBL617926)	In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI
50013536	4	ChEMBL_2839 (CHEMBL621525)	In vitro binding to 5-hydroxytryptamine 2C receptor using [125 I]-DOI
50013536	5	ChEMBL_2566 (CHEMBL617113)	Tested for its ability to activate phospholipase C by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor
50013536	7	ChEMBL_2568 (CHEMBL617115)	Tested for its ability to activate phospholipase c by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor
50013536	1	ChEMBL_2677 (CHEMBL617925)	Tested in vitro for its ability to bind to 5-hydroxytryptamine 2A receptor using [125 I]-DOI as radioligand
50013539	1	ChEMBL_1120 (CHEMBL616065)	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes
50044747	8	ChEMBL_1437556 (CHEMBL3389083)	Antagonist activity at human FXR expressed in human HeLa cells assessed as inhibition of receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay
50044748	1	ChEMBL_1437605 (CHEMBL3390207)	Activation of Escherichia coli ClpP by ITC method
50044749	1	ChEMBL_1437606 (CHEMBL3390208)	Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1
50024123	1	ChEMBL_504166 (CHEMBL985004)	Inhibition of tyrosinase
50044749	2	ChEMBL_1437610 (CHEMBL3390212)	Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase
50044749	3	ChEMBL_1437607 (CHEMBL3390209)	Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase
50013544	1	ChEMBL_153392 (CHEMBL763845)	In vitro effective concentration for agonist activity on human Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected KRP-297 cells
50013544	3	ChEMBL_154192 (CHEMBL762741)	Agonist activity on Gal4 chimeric human Peroxisome proliferator activated receptor gamma expressed in KRP-297 cells
50013544	2	ChEMBL_153865 (CHEMBL759387)	Agonist activity on Gal4 chimeric human Peroxisome proliferator activated receptor delta expressed in CHO-K1 cells
50013544	6	ChEMBL_153705 (CHEMBL759331)	In vitro effective concentration for agonist activity on rat Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected CHO-K1 cells
50013544	5	ChEMBL_153235 (CHEMBL764647)	In vitro effective concentration for agonist activity on dog Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected CHO-K1 cells
50044749	4	ChEMBL_1437608 (CHEMBL3390210)	Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase
50013555	1	ChEMBL_210866 (CHEMBL812679)	Inhibitory activity against Tyrosine phosphatase from Yersinia (Yop protein)
50013555	3	ChEMBL_96757 (CHEMBL705380)	Inhibitory activity against Serine/Threonine Protein Phosphatase (Lambda protein phosphatase)
50013555	2	ChEMBL_157081 (CHEMBL765525)	Inhibition of Human Placental alkaline Phosphatase (PLAP)
50013555	4	ChEMBL_29961 (CHEMBL640395)	Inhibitory activity against Escherichia coli Alkaline Phosphatase
50044749	5	ChEMBL_1438326 (CHEMBL3381803)	Binding affinity to Influenza A virus H5N1 Neuraminidase N1
50044749	6	ChEMBL_1438328 (CHEMBL3381805)	Binding affinity to Influenza A virus H3N2 Neuraminidase N1
50044749	7	ChEMBL_1438330 (CHEMBL3382393)	Inhibition of Influenza A virus H3N2 Neuraminidase N1
50044749	8	ChEMBL_1438329 (CHEMBL3381806)	Inhibition of Influenza A virus H1N1 Neuraminidase N1
50044750	1	ChEMBL_1438341 (CHEMBL3382404)	Inhibition of human ERG
50044751	1	ChEMBL_1438348 (CHEMBL3382411)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50044751	2	ChEMBL_1438349 (CHEMBL3382412)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50044751	3	ChEMBL_1438347 (CHEMBL3382410)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50013559	1	ChEMBL_49273 (CHEMBL662980)	Ex vivo inhibitory activity against human choline kinase was determined
50013561	2	ChEMBL_34462 (CHEMBL651994)	Inhibition of [3H]-prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO cells (chinese hamster ovary cells)
50013561	6	ChEMBL_33743 (CHEMBL647058)	Inhibition of [3H]prazosin binding to cloned human Alpha-1A adrenergic receptor in CHO cells (chinese hamster ovary cells)
50013561	3	ChEMBL_34461 (CHEMBL651993)	Inhibition of [3H]prazosin binding to cloned human Alpha-1B adrenergic receptor in CHO cells (chinese hamster ovary cells)
50013561	5	ChEMBL_32455 (CHEMBL643403)	Inhibition of [3H]-prazosin binding to cloned human Alpha-1D adrenergic receptor in CHO cells (chinese hamster ovary cells)
50013561	7	ChEMBL_953 (CHEMBL616132)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor serotonergic receptor in human HeLa cells
50013563	1	ChEMBL_154315 (CHEMBL762800)	Inhibitory concentration against peptide deformylase was determined
50013563	2	ChEMBL_154316 (CHEMBL762801)	Binding affinity against Co(II)-substituted Escherichia coli peptide deformylase was determined
50044751	4	ChEMBL_1438346 (CHEMBL3382409)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50044752	1	ChEMBL_1438381 (CHEMBL3383056)	Inhibition of human BChE by Ellman's method
50044752	2	ChEMBL_1438379 (CHEMBL3383054)	Inhibition of electric eel AChE by Ellman's method
50044753	1	ChEMBL_1439099 (CHEMBL3384914)	Displacement of [3H]E2 from human placental microsomal 17beta-HSD2 after 20 mins by cell-free assay
50044753	2	ChEMBL_1439100 (CHEMBL3384915)	Displacement of [3H]E1 from human placental cytosolic17beta-HSD1 after 10 mins by cell-free assay
50044754	1	ChEMBL_1439143 (CHEMBL3385544)	Inhibition of human ADK expressed in Escherichia coli BL21(DE3) cells using [3H]adenosine by liquid scintillation counting method
50044755	1	ChEMBL_1439857 (CHEMBL3387411)	Inhibition of human recombinant AChE after 5 mins by Ellman method
50044755	2	ChEMBL_1439858 (CHEMBL3387412)	Inhibition of human plasmatic BChE after 5 mins by Ellman method
50044756	1	ChEMBL_1439872 (CHEMBL3387987)	Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method
50044756	2	ChEMBL_1439873 (CHEMBL3387988)	Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced intracellular calcium release by Fluo-3 AM dye based FLIPR assay
50044756	3	ChEMBL_1439874 (CHEMBL3387989)	Agonist activity against C3AR in HMDMs assessed as increase in intracellular calcium release by Fluo-3 AM dye based FLIPR assay relative to 1 uM C3a
50044757	17	ChEMBL_1440626 (CHEMBL3389825)	Inhibition of mPGES-1 in human whole blood assessed as inhibition of LPS-induced PGE2 production after overnight incubation
50044757	20	ChEMBL_1439894 (CHEMBL3388594)	Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured after 1 min
50044757	12	ChEMBL_1439891 (CHEMBL3388006)	Inhibition of mPGES-1 in human A549 cells using arachidonic acid as substrate assessed as inhibition of IL-1beta/TNF-alpha-induced PGE2 production incubated for 30 mins prior to substrate addition measured after 30 mins by EIA
50044757	14	ChEMBL_1439887 (CHEMBL3388002)	Inhibition of human mPGES-1 expressed in 293E cell microsomes using PGH2 substrate by LC/MS analysis1
50044757	21	ChEMBL_1439892 (CHEMBL3388007)	Inhibition of human mPGES-1
50044757	18	ChEMBL_1439886 (CHEMBL3388001)	Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method
50044757	19	ChEMBL_1440649 (CHEMBL3390401)	Inhibition of mPGES-1 in dog whole blood assessed as inhibition of LPS-induced PGE2 production after overnight incubation
50044757	22	ChEMBL_1439893 (CHEMBL3388593)	Inhibition of mPGES-1 in human A549 cells
50044757	10	ChEMBL_1439889 (CHEMBL3388004)	Inhibition of mPGES-1 in human whole blood assessed as inhibition of LPS-induced PGE2 production incubated for 30 mins prior to LPS challenge measured after 20 to 24 hrs by LC/MS/MS analysis
50044757	15	ChEMBL_1439888 (CHEMBL3388003)	Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challenge measured after 18 hrs by plate reader analysis
50044757	16	ChEMBL_1440625 (CHEMBL3389824)	Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challenge measured after 18 to 24 hrs
50044757	13	ChEMBL_1440656 (CHEMBL3390408)	Inhibition of human mPGES-1 in expressed in Sf9 cell microsomes using PGH2 substrate and GSH by HTRF assay
50044758	1	ChEMBL_1432327 (CHEMBL3383871)	Inhibition of human recombinant PDE4B2 assessed after 60 mins by IMAP fluorescence polarization assay
50044758	2	ChEMBL_1432320 (CHEMBL3383864)	Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay
50044758	3	ChEMBL_1432343 (CHEMBL3383887)	Inhibition of PDE7 (unknown origin)
50044758	4	ChEMBL_1432325 (CHEMBL3383869)	Inhibition of human recombinant PDE4D3 assessed after 60 mins by IMAP fluorescence polarization assay
50044758	5	ChEMBL_1432322 (CHEMBL3383866)	Inhibition of human recombinant PDE7B assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay
50044759	1	ChEMBL_1432370 (CHEMBL3384475)	Inhibition of MMP8 (unknown origin)
50044759	2	ChEMBL_1433219 (CHEMBL3388186)	Inhibition of MMP3 (unknown origin)
50044759	3	ChEMBL_1433220 (CHEMBL3388187)	Inhibition of MMP2 (unknown origin)
50044759	4	ChEMBL_1433221 (CHEMBL3388188)	Inhibition of MMP9 (unknown origin)
50044759	5	ChEMBL_1433222 (CHEMBL3388189)	Inhibition of MMP13 (unknown origin)
50044759	6	ChEMBL_1433223 (CHEMBL3388190)	Inhibition of MMP12 (unknown origin)
50044759	7	ChEMBL_1433224 (CHEMBL3388191)	Inhibition of MMP14 (unknown origin)
50044759	8	ChEMBL_1433225 (CHEMBL3388192)	Inhibition of MMP17 (unknown origin)
50044759	9	ChEMBL_1432368 (CHEMBL3384473)	Inhibition of MMP1 (unknown origin)
50044759	10	ChEMBL_1432369 (CHEMBL3384474)	Inhibition of MMP7 (unknown origin)
50044760	1	ChEMBL_1433266 (CHEMBL3388804)	Inhibition of human recombinant CETP by fluorescence transfer assay
50044760	2	ChEMBL_1433267 (CHEMBL3388805)	Inhibition of human recombinant CETP in presence of 88% human plasma by fluorescence transfer assay
50044761	1	ChEMBL_1434105 (CHEMBL3382783)	Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay
50044761	2	ChEMBL_1434104 (CHEMBL3382782)	Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay
50044761	3	ChEMBL_1434107 (CHEMBL3382785)	Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay
50044761	4	ChEMBL_1434106 (CHEMBL3382784)	Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay
50044761	5	ChEMBL_1434774 (CHEMBL3383443)	Binding affinity to human BBOX by tryptophan fluorescence quenching binding assay
50044761	6	ChEMBL_1434775 (CHEMBL3383444)	Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assay
50044761	7	ChEMBL_1434108 (CHEMBL3382786)	Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay
50044762	1	ChEMBL_1434790 (CHEMBL3384019)	Inhibition of human 11-betaHSD1 by biochemical assay
50044763	1	ChEMBL_1434805 (CHEMBL3384034)	Inhibition of purified methicillin-resistant Staphylococcus aureus N-terminal His-tagged pyruvate kinase by LDH-coupled continuous assay
50013575	3	ChEMBL_60074 (CHEMBL671730)	Binding affinity for human dopamine receptor D2 by displacing [125I]iodosulpiride expressed in CHO cells
50013575	2	ChEMBL_62137 (CHEMBL675894)	Binding affinity for human dopamine receptor D3 by displacing [125I]iodosulpiride expressed in CHO cells
50013575	4	ChEMBL_60672 (CHEMBL674131)	Binding affinity of compound towards human Dopamine receptor D4 by displacing [125I]-iodosulpiride expressed in CHO cells
50013575	6	ChEMBL_61943 (CHEMBL675130)	Effective concentration for Dopamine receptor D3 was determined
50013575	5	ChEMBL_61945 (CHEMBL675132)	Effective concentration for Dopamine receptor D3 was determined
50013575	1	ChEMBL_61946 (CHEMBL675133)	Effective concentration for Dopamine receptor D3 was determined in monkeys
50044763	2	ChEMBL_1434809 (CHEMBL3384038)	Inhibition of purified human N-terminal His-tagged PK-L by LDH-coupled continuous assay
50013578	5	ChEMBL_3584 (CHEMBL620717)	Binding affinity towards human 5-hydroxytryptamine 5A receptor using LSD as radioligand
50013578	2	ChEMBL_2646 (CHEMBL618895)	Binding affinity towards rat 5-hydroxytryptamine 2A receptor expressed in NIH3T3 cells using [3H]ketanserin as radioligand
50013578	4	ChEMBL_2829 (CHEMBL621515)	Binding affinity towards rat 5-hydroxytryptamine 2C receptor expressed in A-9 cells using [3H]mesulergine as radioligand
50044763	3	ChEMBL_1434808 (CHEMBL3384037)	Inhibition of purified human N-terminal His-tagged PK-R by LDH-coupled continuous assay
50044763	4	ChEMBL_1434807 (CHEMBL3384036)	Inhibition of purified human N-terminal His-tagged PK-M2 by LDH-coupled continuous assay
50044763	5	ChEMBL_1434806 (CHEMBL3384035)	Inhibition of purified human N-terminal His-tagged PK-M1 by LDH-coupled continuous assay
50044764	1	ChEMBL_1434836 (CHEMBL3384633)	Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis
50044764	2	ChEMBL_1435499 (CHEMBL3385319)	Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis
50024145	1	ChEMBL_504350 (CHEMBL990184)	Displacement of [125I]human-MIP1-alpha from human CCR5 receptor expressed in CHO cells by SPA
50013581	7	ChEBML_50325	Inhibition of Cyclin-dependent kinase 1
50013581	8	ChEBML_213959	Inhibition of vascular endothelial growth factor receptor 1
50013581	4	ChEMBL_90396 (CHEMBL698351)	Inhibition of Insulin-like growth factor I receptor
50013581	6	ChEBML_160990	Inhibition of Proto-oncogene tyrosine-protein kinase Kit
50013581	3	ChEBML_105553	Inhibition of Met proto-oncogene tyrosine kinase
50013581	2	ChEBML_216856	Inhibition of c-Src tyrosine kinase
50013581	9	ChEBML_67063	Inhibition of Epidermal growth factor receptor
50013581	1	ChEBML_90397	Inhibition of Insulin-like growth factor I receptor
50013581	10	ChEBML_214231	Inhibition of Vascular endothelial growth factor receptor 2
50013582	2	ChEMBL_194015 (CHEMBL802674)	Inhibition of Fyn dependent cellular proliferation of rat 2 fibroblast cells
50013582	3	ChEBML_194015	Inhibition of Fyn dependent cellular proliferation of rat 2 fibroblast cells
50044765	1	ChEMBL_1435512 (CHEMBL3385332)	Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method
50013583	1	ChEBML_90112	Binding affinity against recombinant plasmid rat brain IP3K by overexpressing in Escherichia coli
50013584	3	ChEMBL_50496 (CHEMBL661113)	Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B
50013584	4	ChEMBL_91999 (CHEMBL700201)	In vitro antiproliferative activity against myeloid leukemia K562 cell line
50044765	2	ChEMBL_1435513 (CHEMBL3385333)	Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method
50013586	1	ChEBML_158518	Inhibitory concentration against platelet-derived growth factor receptor beta phosphorylation in CHO cells
50013587	1	ChEMBL_162260 (CHEMBL772439)	Inhibitory concentration towards recombinant human Protein-tyrosine phosphatase 1B was determined
50013587	2	ChEBML_162275	Binding affinity towards recombinant human Protein-tyrosine phosphatase 1B was determined
50013588	15	ChEMBL_160944 (CHEMBL769107)	Binding affinity for protein kinase C Delta-C1A domain
50013588	27	ChEBML_161453	Binding affinity for protein kinase C Theta-C1A domain
50013588	26	ChEMBL_161456 (CHEMBL771064)	Binding affinity for protein kinase C Theta-C1B domain
50044765	3	ChEMBL_1435514 (CHEMBL3385334)	Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method
50013588	20	ChEMBL_161433 (CHEMBL857602)	Binding affinity for protein kinase C eta-C1A domain
50013588	16	ChEBML_160946	Binding affinity for protein kinase C Delta-C1B domain
50013588	18	ChEMBL_160636 (CHEMBL768246)	Binding affinity for protein kinase C Beta-C1A domain
50013588	22	ChEMBL_161453 (CHEMBL771061)	Binding affinity for protein kinase C Theta-C1A domain
50013588	8	ChEBML_161307	Binding affinity for protein kinase C gamma-C1B domain
50013588	11	ChEMBL_161115 (CHEMBL772747)	Binding affinity for protein kinase C epsilon-C1A domain
50044765	4	ChEMBL_1435515 (CHEMBL3385335)	Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method
50044766	1	ChEMBL_1435523 (CHEMBL3385343)	Inhibition of BRAF V600E mutant (unknown origin)
50044767	1	ChEMBL_1435524 (CHEMBL3385344)	Inhibition of LPS-induced TLR4 activation (unknown origin) expressed in HEK293 Blue cells compound treated for 30 mins prior LPS treatment measured after 2 to 4 hrs by spectrophotometry
50044767	2	ChEMBL_1435529 (CHEMBL3385349)	Antagonist activity at human TLR4 expressed in HEK293 cells co-transfected with human MD-2/CD14 assessed as inhibition of LPS-stimulated receptor signal after 2 to 4 hrs by dual luciferase reporter gene assay
50013590	3	ChEBML_99371	Inhibition of EGFR phosphorylation in LoVo cells
50044767	3	ChEMBL_1435530 (CHEMBL3385350)	Antagonist activity at mouse TLR4 expressed in HEK293 cells co-transfected with mouse MD-2/CD14 assessed as inhibition of LPS-stimulated receptor signal after 2 to 4 hrs by dual luciferase reporter gene assay
50013590	8	ChEMBL_99372 (CHEMBL709032)	Inhibit ion of MAPK phosphorylation in LoVo cells
50044768	1	ChEMBL_1435546 (CHEMBL3385911)	Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Lineweaver-Burk analysis
50044768	2	ChEMBL_1435545 (CHEMBL3385910)	Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Lineweaver-Burk analysis
50044768	3	ChEMBL_1435544 (CHEMBL3385909)	Inhibition of bovine thrombin assessed as reduction in hydrolysis of chromogenic substrate S-2238 by Cheng-Prusoff equation analysis
50044768	4	ChEMBL_1435543 (CHEMBL3385908)	Inhibition of human factor10a assessed as reduction in hydrolysis of chromogenic substrate S-2765 by Cheng-Prusoff equation analysis
50044769	1	ChEMBL_1436255 (CHEMBL3387755)	Antagonist activity at human NPFF1 receptor expressed in CHO cells assessed as reversal of NPVF-induced inhibition of intracellular cAMP accumulation after 10 mins by liquid scintillation counting analysis relative to control
50044769	2	ChEMBL_1436257 (CHEMBL3387757)	Agonist activity at human NPFF1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation by liquid scintillation counting analysis
50044769	3	ChEMBL_1436258 (CHEMBL3387758)	Agonist activity at human NPFF2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation by liquid scintillation counting analysis
50044769	4	ChEMBL_1436259 (CHEMBL3387759)	Antagonist activity at human NPFF2 receptor expressed in CHO cells assessed as reversal of 1DMe-induced inhibition of intracellular cAMP accumulation after 10 mins by liquid scintillation counting analysis relative to control
50044769	5	ChEMBL_1436932 (CHEMBL3388430)	Antagonist activity at human NPFF1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation relative to control
50044769	6	ChEMBL_1436239 (CHEMBL3387186)	Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis
50044769	7	ChEMBL_1436933 (CHEMBL3388431)	Displacement of [125I]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis
50044769	8	ChEMBL_1436237 (CHEMBL3387184)	Displacement of [125I]YVP from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis
50013594	10	ChEBML_71141	Inhibition of Glycogen synthase kinase-3 beta
50044769	9	ChEMBL_1436233 (CHEMBL3387180)	Antagonist activity at human NPFF1 receptor expressed in CHO cells
50044769	10	ChEMBL_1436234 (CHEMBL3387181)	Antagonist activity at human NPFF2 receptor expressed in African green monkey COS-1 cells
50044769	11	ChEMBL_1436235 (CHEMBL3387182)	Agonist activity at human NPFF1 receptor
50044769	12	ChEMBL_1436236 (CHEMBL3387183)	Agonist activity at human NPFF2 receptor
50044769	13	ChEMBL_1436238 (CHEMBL3387185)	Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis
50013594	25	ChEMBL_46477 (CHEMBL658117)	Inhibition of Casein kinase I
50013594	26	ChEMBL_161895 (CHEMBL772604)	Inhibition of Protein kinase A
50013594	6	ChEBML_214243	Inhibition of Vascular endothelial growth factor receptor 2
50013594	9	ChEBML_67064	Inhibition of Epidermal growth factor receptor
50013594	21	ChEMBL_161286 (CHEMBL766916)	Inhibition of Protein kinase C gamma at 1 uM
50013595	2	ChEMBL_202617 (CHEMBL805362)	In vitro inhibition of Src protein tyrosine kinase using the Scintillation proximity kinase assay.
50013595	1	ChEBML_202617	In vitro inhibition of Src protein tyrosine kinase using the Scintillation proximity kinase assay.
50013596	1	ChEBML_50657	Inhibition of Cyclin-dependent kinase 2 (CDK2)
50013597	1	ChEBML_202612	Inhibition of Src protein tyrosine kinase
50044769	14	ChEMBL_1436242 (CHEMBL3387189)	Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis
50044769	15	ChEMBL_1436243 (CHEMBL3387190)	Displacement of [3H]DPDPE from human DOR expressed in HEK293 cells after 60 mins by scintillation counting analysis
50044769	16	ChEMBL_1436244 (CHEMBL3387191)	Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis
50013600	1	ChEBML_124485	Inhibition of Mitogen-activated protein kinase p38 alpha
50013601	6	ChEMBL_158495 (CHEMBL765708)	Inhibition of Platelet-derived growth factor receptor
50013601	5	ChEMBL_158491 (CHEMBL764770)	Inhibition of Platelet-derived growth factor receptor
50044769	17	ChEMBL_1436245 (CHEMBL3387192)	Displacement of [3H]diprenorphine from human MOR expressed in African green monkey COS-1 cells after 1 hr
50044769	18	ChEMBL_1436246 (CHEMBL3387193)	Displacement of [3H]diprenorphine from human DOR expressed in African green monkey COS-1 cells after 1 hr
50044769	19	ChEMBL_1436247 (CHEMBL3387194)	Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr
50044770	1	ChEMBL_1436940 (CHEMBL3388438)	Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay
50013602	8	ChEBML_91953	Inhibition of Janus kinase 3
50013602	7	ChEBML_154719	Inhibition of Mitogenesis, PDGF-BB, assay
50013602	5	ChEBML_154718	Inhibition of Mitogenesis, PDGF-AA, assay.
50013602	2	ChEBML_91949	Inhibition of Janus kinase 2
50013602	3	ChEBML_221488	Inhibition of p56 Lck tyrosine kinase
50013602	9	ChEBML_67065	Inhibition of Epidermal growth factor receptor
50013604	1	ChEBML_91950	Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.
50044770	2	ChEMBL_1436941 (CHEMBL3388439)	Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay
50044770	3	ChEMBL_1436943 (CHEMBL3388441)	Inhibition of Aurora-A (unknown origin)
50044770	4	ChEMBL_1436944 (CHEMBL3388442)	Inhibition of Aurora-B (unknown origin)
50044771	1	ChEMBL_1436945 (CHEMBL3388443)	Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption
50013606	4	ChEBML_207577	Inhibition of T-cell Protein Tyrosine Phosphatase (TCPTP)
50013606	2	ChEBML_210876	Inhibitory potency against Tyrosine phosphatase SHP2
50013606	3	ChEBML_39922	Inhibitory potency against CD45 Phosphatase
50013606	5	ChEBML_162417	Inhibition of Protein-tyrosine phosphatase 1B (PTP1B)
50013606	1	ChEBML_49196	Inhibitory potency against Cell division cycle 25 degree C
50013606	6	ChEBML_97145	Inhibitory potency against LAR
50013611	2	ChEBML_141161	Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2B in rat
50044771	2	ChEMBL_1436946 (CHEMBL3388444)	Inhibition of wild type human IDH1 expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption
50044771	3	ChEMBL_1436947 (CHEMBL3389006)	Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption
50013611	4	ChEBML_141033	Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2A in rat
50044771	4	ChEMBL_1436950 (CHEMBL3389009)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in D2HG production incubated for 48 hrs by HPLC-MS method
50013614	3	ChEBML_208504	Inhibitory activity against thrombin
50013614	4	ChEBML_49124	Inhibitory activity against coagulation factor X
50013615	3	ChEMBL_2974 (CHEMBL872920)	Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes
50013615	2	ChEBML_1121	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes
50044772	1	ChEMBL_1436961 (CHEMBL3389020)	Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay
50044772	2	ChEMBL_1436962 (CHEMBL3389021)	Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay
50044772	3	ChEMBL_1436963 (CHEMBL3389022)	Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay
50044772	4	ChEMBL_1436969 (CHEMBL3389028)	Inhibition of human ERG
50044772	5	ChEMBL_1436970 (CHEMBL3389029)	Inhibition of IGF1R (unknown origin)
50013618	1	ChEBML_196011	Inhibition of 3[H]ATRA binding to retinoid acid receptor gamma expressed in CV-1 cells
50013618	6	ChEMBL_196771 (CHEMBL798932)	Inhibition of 3[H]9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells
50013618	4	ChEBML_196750	Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay
50013625	1	ChEMBL_27499 (CHEMBL633992)	Inhibitory concentration against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 uM
50013625	2	ChEBML_27499	Inhibitory concentration against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 uM
50013626	2	ChEBML_106285	In vitro inhibition of matrix metalloprotease-1.
50044772	6	ChEMBL_1437632 (CHEMBL3390234)	Inhibition of INSR (unknown origin)
50013626	1	ChEBML_106625	In vitro inhibition of matrix metalloprotease-13.
50013627	1	ChEBML_148272	Binding affinity against human orphanin FQ receptor expressed in recombinant HEK 293 cells
50044773	1	ChEMBL_1437665 (CHEMBL3381155)	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS method
50013627	5	ChEBML_145236	Antagonistic activity against opioid receptor kappa 1
50013627	4	ChEMBL_148271 (CHEMBL750188)	Antagonistic activity against orphan FQ receptor
50013627	3	ChEBML_149491	Antagonistic activity against opioid receptor mu1
50013630	2	ChEBML_154318	Binding affinity towards Peptide deformylase
50013630	3	ChEMBL_154317 (CHEMBL762802)	In vitro inhibitory concentration required against peptide deformylase (PDF)
50013631	5	ChEBML_62950	Displacement of [3H]WIN-35428 from Dopamine transporter
50013631	4	ChEBML_202161	Displacement of [3H]-citalopram from Serotonin transporter
50044774	1	ChEMBL_1438387 (CHEMBL3383062)	Agonist activity at human recombinant CB2R expressed in U2OS cells assessed as beta-arrestin-GFP binding to receptor after 25 mins by fluorescent microscopy
50044774	2	ChEMBL_1438386 (CHEMBL3383061)	Antagonist activity at human recombinant CB2R expressed in U2OS cells assessed as inhibition of WIN-55212-induced beta-arrestin-GFP binding to receptor preincubated for 15 mins by fluorescent microscopy
50044774	3	ChEMBL_1438388 (CHEMBL3383063)	Agonist activity at human recombinant CB2R expressed in WIN-55212-stimulated U2OS cells assessed as reduction in forskolin-mediated cAMP level after 30 mins by time-resolved fluorescence assay
50044774	4	ChEMBL_1438389 (CHEMBL3383064)	Antagonist activity at human recombinant CB2R expressed in WIN-55212-stimulated U2OS cells assessed as increase in forskolin-mediated cAMP level after 30 mins by time-resolved fluorescence assay
50044774	5	ChEMBL_1438384 (CHEMBL3383059)	HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHEK293PHEK293-HEK2935HEK2935HEK293,HEK2939HEK2934HEK2930HEK293 HEK293fHEK293rHEK293oHEK293mHEK293 HEK293hHEK293uHEK293mHEK293aHEK293nHEK293 HEK293rHEK293eHEK293cHEK293oHEK293mHEK293bHEK293iHEK293nHEK293aHEK293nHEK293tHEK293 HEK293CHEK293BHEK2932HEK293RHEK293 HEK293eHEK293xHEK293pHEK293rHEK293eHEK293sHEK293sHEK293eHEK293dHEK293 HEK293iHEK293nHEK293 HEK293HHEK293EHEK293KHEK293-HEK2932HEK2939HEK2933HEK293 HEK293cHEK293eHEK293lHEK293lHEK293sHEK293 HEK293aHEK293fHEK293tHEK293eHEK293rHEK293 HEK2939HEK2930HEK293 HEK293mHEK293iHEK293nHEK293sHEK293 HEK293bHEK293yHEK293 HEK293lHEK293iHEK293qHEK293uHEK293iHEK293dHEK293 HEK293sHEK293cHEK293iHEK293nHEK293tHEK293iHEK293lHEK293lHEK293aHEK293tHEK293iHEK293oHEK293nHEK293 HEK293cHEK293oHEK293uHEK293nHEK293tHEK293iHEK293nHEK293gHEK293
50044774	6	ChEMBL_1438383 (CHEMBL3383058)	HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHEK293PHEK293-HEK2935HEK2935HEK293,HEK2939HEK2934HEK2930HEK293 HEK293fHEK293rHEK293oHEK293mHEK293 HEK293hHEK293uHEK293mHEK293aHEK293nHEK293 HEK293rHEK293eHEK293cHEK293oHEK293mHEK293bHEK293iHEK293nHEK293aHEK293nHEK293tHEK293 HEK293CHEK293BHEK2931HEK293RHEK293 HEK293eHEK293xHEK293pHEK293rHEK293eHEK293sHEK293sHEK293eHEK293dHEK293 HEK293iHEK293nHEK293 HEK293HHEK293EHEK293KHEK293-HEK2932HEK2939HEK2933HEK293 HEK293cHEK293eHEK293lHEK293lHEK293sHEK293 HEK293aHEK293fHEK293tHEK293eHEK293rHEK293 HEK2939HEK2930HEK293 HEK293mHEK293iHEK293nHEK293sHEK293 HEK293bHEK293yHEK293 HEK293lHEK293iHEK293qHEK293uHEK293iHEK293dHEK293 HEK293sHEK293cHEK293iHEK293nHEK293tHEK293iHEK293lHEK293lHEK293aHEK293tHEK293iHEK293oHEK293nHEK293 HEK293cHEK293oHEK293uHEK293nHEK293tHEK293iHEK293nHEK293gHEK293
50044775	1	ChEMBL_1438405 (CHEMBL3383634)	Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substrate by fluorescence assay based Morrison's equation based enzyme kinetic analysis
50044775	2	ChEMBL_1438404 (CHEMBL3383633)	Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substrate by fluorescence assay based enzyme kinetic analysis
50044775	3	ChEMBL_1438403 (CHEMBL3383632)	Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substrate by fluorescence assay based enzyme kinetic analysis
50044775	4	ChEMBL_1438397 (CHEMBL3383626)	Inhibition of full length human SIRT2 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide by fluorescence assay
50013634	2	ChEMBL_226185 (CHEMBL846551)	Inhibition of Abl tyrosine kinase
50013635	5	ChEBML_68783	Inhibitory potency of Fatty-acid amide hydrolase with rat brain membrane
50013635	3	ChEBML_46474	Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain membrane
50013635	6	ChEBML_68778	Inhibitory potency of Fatty-acid amide hydrolase with Mouse brain membrane
50013635	2	ChEMBL_46623 (CHEMBL657121)	Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with rat brain membrane in the presence of PMSF
50013635	1	ChEBML_46623	Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with rat brain membrane in the presence of PMSF
50013635	7	ChEMBL_46474 (CHEMBL658114)	Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain membrane
50013637	2	ChEBML_71443	Binding affinity towards monkey gonadotropin releasing hormone receptor
50013637	3	ChEBML_71747	Binding affinity towards rat GnRH gonadotropin releasing hormone receptor
50013638	1	ChEMBL_71444 (CHEMBL685316)	Binding affinity towards monkey gonadotropin-releasing hormone receptor expressed in HEK293 cells
50013638	3	ChEBML_71748	Binding affinity towards rat gonadotropin-releasing hormone receptor expressed in HEK293 cells
50044775	5	ChEMBL_1438396 (CHEMBL3383625)	Inhibition of full length human SIRT1 expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide by fluorescence assay
50044775	6	ChEMBL_1438398 (CHEMBL3383627)	Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 7-amino-4-methylcoumarin (AMC)-labeled peptide by fluorescence assay
50044775	7	ChEMBL_1438407 (CHEMBL3383636)	Non-competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substrate and varying NAD+ levels by fluorescence assay based Morrison's equation based enzyme kinetic analysis
50044775	8	ChEMBL_1438406 (CHEMBL3383635)	Competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using varying (Ac)RHKK(Ac)-AMC substrate by fluorescence assay based Morrison's equation based enzyme kinetic analysis
50044776	1	ChEMBL_1438413 (CHEMBL3383642)	Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay
50013644	1	ChEBML_3617	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50044776	2	ChEMBL_1438414 (CHEMBL3383643)	Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay
50013647	3	ChEMBL_51134 (CHEMBL664195)	Inhibition of (Corticotropin-Releasing Factor Receptor) CRF-stimulated cAMP production
50013648	3	ChEBML_51117	Binding affinity towards cloned human Corticotropin releasing factor receptor 1 expressed in CHO cells using [125I]o-CRF as the radioligand
50013648	2	ChEMBL_51285 (CHEMBL664987)	Binding affinity towards cloned human CRF1 receptor expressed in CHO cells using [125I]-o-CRF as the radioligand
50013649	5	ChEMBL_129905 (CHEMBL740149)	In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)
50013649	3	ChEMBL_123678 (CHEMBL728561)	In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)
50013649	4	ChEMBL_208101 (CHEMBL814457)	In vitro inhibitory activity against human Transforming growth factor beta-1 receptor kinase (TGF-beta RIK)
50013649	2	ChEMBL_124315 (CHEMBL732623)	In vitro inhibitory activity against Mitogen-activated protein kinase p38
50013649	1	ChEMBL_208100 (CHEMBL814456)	Inhibition of human Transforming growth factor (TGF) beta-1 receptor (T204D mutation) autophosphorylation in Sf9 cells
50044776	3	ChEMBL_1438415 (CHEMBL3383644)	Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay
50044776	4	ChEMBL_1439160 (CHEMBL3385561)	Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based beta-arrestin engagement assay
50044776	5	ChEMBL_1439162 (CHEMBL3385563)	Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based beta-arrestin engagement assay
50044776	6	ChEMBL_1439164 (CHEMBL3385565)	Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of xanomeline-induced response by BRET based beta-arrestin engagement assay
50044776	7	ChEMBL_1439166 (CHEMBL3386115)	Agonist activity at human M4 receptor expressed in HEK293T cells by BRET based Gq protein engagement assay
50044776	8	ChEMBL_1439168 (CHEMBL3386117)	Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein engagement assay
50013652	1	ChEMBL_71607 (CHEMBL689139)	Ability to bind to Gonadotropin-releasing hormone receptor was evaluated in vitro by displacement assay using [125I][D-Lys6]-GnRH as radioligand
50013653	2	ChEMBL_159745 (CHEMBL762909)	In vitro inhibition against human Prostaglandin G/H synthase 2
50013653	1	ChEMBL_159437 (CHEMBL763233)	In vitro inhibition against Prostaglandin G/H synthase 1 from ram seminal vesicles
50044776	9	ChEMBL_1439170 (CHEMBL3386119)	Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of xanomeline-induced response by BRET based Gq protein engagement assay
50044776	10	ChEMBL_1439172 (CHEMBL3386121)	Agonist activity at human M4 receptor expressed in HEK293T cells by BRET based Gq protein activation assay
50044776	11	ChEMBL_1439174 (CHEMBL3386123)	Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein activation assay
50044776	12	ChEMBL_1439176 (CHEMBL3386125)	Agonist activity at human M4 receptor expressed in HEK293T cells by BRET based beta-arrestin engagement assay
50044776	13	ChEMBL_1439178 (CHEMBL3386127)	Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by beta-arrestin engagement assay
50013655	1	ChEMBL_145690 (CHEMBL753316)	Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opioid receptor kappa 1
50013655	6	ChEMBL_145817 (CHEMBL873914)	Binding affinity towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]diprenorphine as radioligand
50013655	3	ChEMBL_148870 (CHEMBL753748)	Binding affinity towards rat Opioid receptor mu 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]DAMGO
50013655	2	ChEMBL_146324 (CHEMBL757533)	Binding affinity towards mouse Opioid receptor delta 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]-DPDGE as radioligand
50013655	5	ChEMBL_145818 (CHEMBL753529)	Binding affinity towards rat Opioid receptor kappa 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]diprenorphine as radioligand
50013655	4	ChEMBL_146325 (CHEMBL882414)	Binding affinity towards mouse Opioid receptor delta 1 expressed in CHO cells of chinese hamster ovary was determined using [3H]DPDGE as radioligand
50044776	14	ChEMBL_1439180 (CHEMBL3386129)	Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of xanomeline-induced response by beta-arrestin engagement assay
50044776	15	ChEMBL_1438417 (CHEMBL3383646)	Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay
50044776	16	ChEMBL_1438418 (CHEMBL3383647)	Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based Gq protein engagement assay
50044776	17	ChEMBL_1438420 (CHEMBL3383649)	Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein engagement assay
50044776	18	ChEMBL_1438422 (CHEMBL3383651)	Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on carbachol-induced response by BRET based Gq protein engagement assay
50044776	19	ChEMBL_1438424 (CHEMBL3383653)	Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on xanomeline-induced response by BRET based Gq protein engagement assay
50044776	20	ChEMBL_1438426 (CHEMBL3383655)	Agonist activity at human M1 receptor expressed in HEK293T cells by BRET based Gq protein activation assay
50044776	21	ChEMBL_1438416 (CHEMBL3383645)	Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay
50013657	5	ChEMBL_67038 (CHEMBL677876)	Relative binding affinity for human estrogen receptor alpha compared to [3H]estradiol
50013657	1	ChEMBL_67202 (CHEMBL678290)	Relative binding affinity for human estrogen receptor beta compared to [3H]-estradiol
50044776	22	ChEMBL_1438428 (CHEMBL3384240)	Antagonist activity at human M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein activation assay
50044776	23	ChEMBL_1439156 (CHEMBL3385557)	Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on carbachol-induced response by BRET based Gq protein activation assay
50044776	24	ChEMBL_1439158 (CHEMBL3385559)	Positive modulatory activity at human M1 receptor expressed in HEK293T cells assessed as effect on xanomeline-induced response by BRET based Gq protein activation assay
50044777	1	ChEMBL_1439185 (CHEMBL3386134)	Inhibition of GA-FITC binding to human recombinant Hsp90alpha incubated for 5 hrs by fluorescence polarization assay
50044778	1	ChEMBL_1439206 (CHEMBL3386731)	Inhibition of recombinant Influenza A virus H1N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry
50044778	2	ChEMBL_1439207 (CHEMBL3386732)	Inhibition of Influenza A virus H5N1 neuraminidase using 4-methylumbelliferyl-alpha-D-Nacetylneuraminic acid sodium salt hydrate as substrate by fluorometry
50044779	1	ChEMBL_1439910 (CHEMBL3388610)	Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay
50044779	2	ChEMBL_1439912 (CHEMBL3388612)	Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarization assay
50044780	1	ChEMBL_1439941 (CHEMBL3389217)	Inhibition of human APE1 after 25 mins by fluorescence assay
50044781	1	ChEMBL_1431479 (CHEMBL3389844)	Inhibition of c-Met (unknown origin) by HTRF assay
50044782	1	ChEMBL_1431486 (CHEMBL3389851)	Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry
50044782	2	ChEMBL_1431487 (CHEMBL3389852)	Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as pyruvate production after 10 mins by microplate reader analysis
50044782	3	ChEMBL_1431488 (CHEMBL3389853)	Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance of chorismate by stopped-flow analysis
50044782	4	ChEMBL_1431490 (CHEMBL3389855)	Competitive inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate
50044782	5	ChEMBL_1431491 (CHEMBL3389856)	Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate
50013659	1	ChEMBL_140872 (CHEMBL752503)	Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determined by using [3H]- glycine/NMDA
50044783	5	ChEMBL_1431503 (CHEMBL3389868)	Inhibition of Staphylococcus aureus sortase A using dabcyl-QALPETGEE-edans as substrate incubated for 1 hr prior to substrate addition measured at 1 min interval for 1 hr by FRET analysis
50044785	1	ChEMBL_1432452 (CHEMBL3385734)	Inhibition of alpha-mannosidase (unknown origin) using p-nitrophenyl-alpha-D-mannopyranoside substrate incubated for 10 mins by UV spectrophotometry
50044786	1	ChEMBL_1432461 (CHEMBL3385743)	Inhibition of c-KIT (unknown origin) by ELISA method
50044786	2	ChEMBL_1432460 (CHEMBL3385742)	Inhibition of KDR (unknown origin) by ELISA method
50044786	3	ChEMBL_1432459 (CHEMBL3385741)	Inhibition of PDGFRbeta (unknown origin) by ELISA method
50044786	4	ChEMBL_1432458 (CHEMBL3385740)	Inhibition of HER1 (unknown origin) assessed as reduction in autophosphorylation by ELISA method
50044786	5	ChEMBL_1432457 (CHEMBL3385739)	Inhibition of HER2 (unknown origin) assessed as reduction in autophosphorylation by ELISA method
50013660	2	ChEMBL_41892 (CHEMBL655685)	Inhibitory activity against C-C chemokine receptor type 2 (antagonist activity)
50013660	1	ChEMBL_41894 (CHEMBL655687)	Binding affinity at C-C chemokine receptor type 2 was determined
50013661	5	ChEMBL_195644 (CHEMBL795962)	Binding affinity for Retinoic acid receptor beta was determined by competing with 3[H]-ATRA
50013661	13	ChEMBL_196168 (CHEMBL804941)	Binding affinity for Retinoic acid receptor gamma was determined by competing with 3[H]-ATRA
50013661	7	ChEMBL_197072 (CHEMBL872603)	Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA
50013661	12	ChEMBL_153712 (CHEMBL759643)	Binding affinity for Peroxisome proliferator activated receptor alpha was determined
50013661	9	ChEMBL_195190 (CHEMBL802723)	Binding affinity for Retinoic acid receptor alpha was determined by competing with 3[H]-ATRA
50013661	11	ChEMBL_197230 (CHEMBL801376)	Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA
50013661	4	ChEMBL_154539 (CHEMBL760259)	Binding affinity for peroxisome proliferator activated receptor gamma
50037288	34	ChEMBL_88894 (CHEMBL694797)	Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes
50037288	30	ChEMBL_92779 (CHEMBL700079)	Binding affinity for rat L-type [Ca2+] channel
50037288	23	ChEMBL_28126 (CHEMBL644384)	Inhibitory concentration towards acetylcholinesterase in electric eel
50013661	2	ChEMBL_154539 (CHEMBL760259)	Binding affinity for peroxisome proliferator activated receptor gamma
50013662	3	ChEMBL_159047 (CHEMBL760809)	Agonistic activity against human progesterone receptor expressed in CV-1 cells
50013662	11	ChEMBL_71400 (CHEMBL681751)	Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed in baculovirus SF-12 cells
50013662	2	ChEMBL_159048 (CHEMBL760810)	Agonistic activity against human progesterone receptor in CV-1 cells
50013662	9	ChEMBL_36275 (CHEMBL648842)	Inhibition of DHT binding to human androgen receptor expressed in baculovirus SF-12 cells
50013662	12	ChEMBL_159049 (CHEMBL760811)	Agonistic activity against human progesterone receptor in T47D breast cancer cells
50013662	7	ChEMBL_159730 (CHEMBL766187)	Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand
50013662	4	ChEMBL_71260 (CHEMBL685254)	Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M
50013662	8	ChEMBL_36120 (CHEMBL647746)	Inhibition of human androgen receptor at 10e-12 to 10e-5 M
50013662	1	ChEMBL_123505 (CHEMBL729167)	Inhibitory activity against human Mineralocorticoid receptor
50013662	5	ChEMBL_36276 (CHEMBL648375)	Displacement of DHT from human androgen receptor expressed in baculovirus SF-12 cells
50013662	10	ChEMBL_71401 (CHEMBL680187)	Displacement of Dexamethasone from human glucocorticoid receptor expressed in baculovirus SF-12 cells
50013665	1	ChEMBL_58672 (CHEMBL670446)	In vitro binding affinity towards Dopamine receptor D1
50013665	3	ChEMBL_62879 (CHEMBL878289)	In vitro binding affinity towards Dopamine receptor D2
50013665	4	ChEMBL_59906 (CHEMBL671065)	Tested for intrinsic activity towards Dopamine receptor D2 in CHO cells
50013665	2	ChEMBL_59907 (CHEMBL671066)	Tested for percent intrinsic activity towards Dopamine receptor D2 in CHO cells
50044787	1	ChEMBL_1434171 (CHEMBL3383979)	Inhibition of jack bean urease assessed as reduction in ammonia production incubated at 30 degC for 15 mins by indophenol method
50044788	1	ChEMBL_1434210 (CHEMBL3384588)	Inhibition of West Nile virus NS2B-NS3 protease
50044788	2	ChEMBL_1434211 (CHEMBL3384589)	Non-competitive inhibition of West Nile virus NS2B-NS3 protease
50044788	3	ChEMBL_1434201 (CHEMBL3384009)	Inhibition of dengue virus-2 NS2B-NS3 protease
50044788	4	ChEMBL_1434196 (CHEMBL3384004)	Inhibition of dengue virus NS2B-NS3 protease
50044788	5	ChEMBL_1434204 (CHEMBL3384012)	Inhibition of dengue virus-4 NS2B-NS3 protease
50044788	6	ChEMBL_1434203 (CHEMBL3384011)	Inhibition of dengue virus-3 NS2B-NS3 protease
50044788	7	ChEMBL_1434202 (CHEMBL3384010)	Inhibition of dengue virus-1 NS2B-NS3 protease
50044789	1	ChEMBL_1434910 (CHEMBL3385304)	Inverse agonist activity at human recombinant N-terminally 6xHis-tagged RORgamma ligand binding domain (unknown origin) expressed in Escherichia coli incubated for 1 hr by FRET assay
50044789	3	ChEMBL_1434913 (CHEMBL3385307)	Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubated for 1 hr by FRET assay
50044789	4	ChEMBL_1434915 (CHEMBL3385309)	Inverse agonist activity at RORgammaT (unknown origin) by M1H assay
50044789	5	ChEMBL_1434917 (CHEMBL3385311)	Inverse agonist activity at RORalpha (unknown origin) by M1H assay
50044789	6	ChEMBL_1434918 (CHEMBL3385312)	Inverse agonist activity at RORbeta (unknown origin) by M1H assay
50044789	7	ChEMBL_1434928 (CHEMBL3385865)	Agonist activity at human thyroid hormone receptor alpha expressed in HEK293 cells by luciferase reporter gene assay
50044789	8	ChEMBL_1434929 (CHEMBL3385866)	Agonist activity at human RARalpha expressed in HEK293 cells by luciferase reporter gene assay
50044789	9	ChEMBL_1434930 (CHEMBL3385867)	Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase reporter gene assay
50044789	10	ChEMBL_1434931 (CHEMBL3385868)	Agonist activity at human PPARbeta expressed in HEK293 cells by luciferase reporter gene assay
50044789	11	ChEMBL_1434932 (CHEMBL3385869)	Agonist activity at human PPARgamma expressed in HEK293 cells by luciferase reporter gene assay
50044789	12	ChEMBL_1434933 (CHEMBL3385870)	Agonist activity at human LXRbeta expressed in HEK293 cells by luciferase reporter gene assay
50044789	13	ChEMBL_1434934 (CHEMBL3385871)	Agonist activity at human FXR expressed in HEK293 cells by luciferase reporter gene assay
50044789	14	ChEMBL_1434935 (CHEMBL3385872)	Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay
50044789	15	ChEMBL_1434936 (CHEMBL3385873)	Agonist activity at human CAR expressed in HEK293 cells by luciferase reporter gene assay
50044789	16	ChEMBL_1434937 (CHEMBL3385874)	Agonist activity at human RXRalpha expressed in HEK293 cells by luciferase reporter gene assay
50044789	17	ChEMBL_1434938 (CHEMBL3385875)	Agonist activity at human ERalpha expressed in HEK293 cells by luciferase reporter gene assay
50044789	18	ChEMBL_1434939 (CHEMBL3385876)	Agonist activity at human ERbeta expressed in HEK293 cells by luciferase reporter gene assay
50044789	19	ChEMBL_1434940 (CHEMBL3385877)	Agonist activity at human estrogen related receptor gamma expressed in HEK293 cells by luciferase reporter gene assay
50044789	20	ChEMBL_1434941 (CHEMBL3385878)	Agonist activity at human GCR expressed in HEK293 cells by luciferase reporter gene assay
50044789	21	ChEMBL_1434942 (CHEMBL3385879)	Agonist activity at human MCR expressed in HEK293 cells by luciferase reporter gene assay
50044789	22	ChEMBL_1434943 (CHEMBL3385880)	Agonist activity at human PRGR expressed in HEK293 cells by luciferase reporter gene assay
50044789	23	ChEMBL_1434944 (CHEMBL3385881)	Agonist activity at human androgen receptor expressed in HEK293 cells by luciferase reporter gene assay
50044789	24	ChEMBL_1434945 (CHEMBL3385882)	Agonist activity at human pregnane X receptor expressed in HEK293 cells by luciferase reporter gene assay
50044790	1	ChEMBL_1435673 (CHEMBL3387734)	Displacement of [3H]SCH23390 from D1 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis
50044790	2	ChEMBL_1435682 (CHEMBL3387743)	Antagonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of SKF38393
50044790	3	ChEMBL_1435683 (CHEMBL3387744)	Agonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay
50044790	4	ChEMBL_1435684 (CHEMBL3387745)	Antagonist activity at D2 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay in presence of quinpirole
50044790	5	ChEMBL_1436329 (CHEMBL3388971)	Agonist activity at 5HT1A receptor (unknown origin) after 20 mins by [35S]GTP-gammaS binding assay
50044790	6	ChEMBL_1435675 (CHEMBL3387736)	Displacement of [3H]Spiperone from D2 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis
50044790	7	ChEMBL_1435677 (CHEMBL3387738)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis
50044790	8	ChEMBL_1435680 (CHEMBL3387741)	Displacement of [3H]Spiperone from D3 receptor (unknown origin) transfected in HEK293T cells after 50 mins by liquid scintillation counting analysis
50044790	9	ChEMBL_1435681 (CHEMBL3387742)	Agonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gammaS binding assay
50044791	1	ChEMBL_1436352 (CHEMBL3388994)	Binding affinity to human cyclophilin A by surface plasmon resonance method
50044791	2	ChEMBL_1436358 (CHEMBL3389000)	Inhibition of CYP3A4 (unknown origin)
50044791	3	ChEMBL_1436357 (CHEMBL3388999)	Inhibition of CYP2C8 (unknown origin)
50044791	4	ChEMBL_1436359 (CHEMBL3389001)	Inhibition of CYP2D6 (unknown origin)
50044791	5	ChEMBL_1436360 (CHEMBL3389002)	Inhibition of CYP2CJ (unknown origin)
50044791	6	ChEMBL_1436363 (CHEMBL3389005)	Binding affinity to human cyclophilin B by surface plasmon resonance method
50044791	7	ChEMBL_1436364 (CHEMBL3389567)	Binding affinity to human cyclophilin F by surface plasmon resonance method
50044791	8	ChEMBL_1436369 (CHEMBL3389572)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate
50044791	9	ChEMBL_1436370 (CHEMBL3389573)	Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate
50044791	10	ChEMBL_1436371 (CHEMBL3389574)	Inhibition of human MRP2 expressed in Sf9 cells inside out vesicles using CDCF substrate
50044791	11	ChEMBL_1436372 (CHEMBL3389575)	Inhibition of BSEP (unknown origin) expressed in HEK293 cells using [3H]taurocholic acid substrate
50044791	12	ChEMBL_1436373 (CHEMBL3389576)	Inhibition of BCRP (unknown origin) expressed in T8 cells using Bodipy FL-prazosin substrate
50044791	13	ChEMBL_1436374 (CHEMBL3389577)	Inhibition of MDR1 (unknown origin) expressed in MDA T0.3 cells using rhodamine 123 substrate
50013671	10	ChEMBL_162571 (CHEMBL768513)	Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]
50044791	14	ChEMBL_1436354 (CHEMBL3388996)	Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometry
50013671	8	ChEMBL_161276 (CHEMBL772957)	Binding affinity for human Protein kinase C gamma with [Ca2+]
50013671	2	ChEMBL_160963 (CHEMBL769124)	Inhibition of human Protein kinase C epsilon
50013671	11	ChEMBL_160775 (CHEMBL766315)	Inhibition of human Protein kinase C delta
50044792	1	ChEMBL_1436379 (CHEMBL3389582)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50013671	5	ChEMBL_160469 (CHEMBL761765)	Inhibition of human PKC beta-1
50044792	2	ChEMBL_1436382 (CHEMBL3389585)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method
50044792	3	ChEMBL_1436381 (CHEMBL3389584)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method
50013674	6	ChEMBL_207129 (CHEMBL805113)	Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined
50013674	5	ChEMBL_162276 (CHEMBL770824)	Binding affinity against protein tyrosine phosphatase PTB1B
50013674	4	ChEMBL_162271 (CHEMBL857603)	Dissociation constant against protein tyrosine phosphatase PTB1B receptor was determined
50013674	3	ChEMBL_207131 (CHEMBL805115)	Inhibitory activity against T cell protein tyrosine phosphatase (TCPTP)
50013674	1	ChEMBL_162282 (CHEMBL770980)	Inhibitory constant against Protein-tyrosine phosphatase 1B (PTB1B)
50013674	2	ChEMBL_162270 (CHEMBL770819)	Dissociation constant against Protein-tyrosine phosphatase 1B receptor was determined
50013676	3	ChEMBL_149035 (CHEMBL874645)	Tested for Oxidosqualene-lanosterol cyclase inhibition in rat
50013676	4	ChEMBL_148893 (CHEMBL758674)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma brucei
50013676	1	ChEMBL_148889 (CHEMBL758670)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Pneumocystis carinii
50013676	7	ChEMBL_148894 (CHEMBL758675)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma cruzi
50013676	5	ChEMBL_148892 (CHEMBL758673)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma brucei
50013676	2	ChEMBL_148896 (CHEMBL758677)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma cruzi
50013676	6	ChEMBL_148895 (CHEMBL758676)	Tested for Oxidosqualene-lanosterol cyclase inhibition in Trypanosoma cruzi
50044792	4	ChEMBL_1436380 (CHEMBL3389583)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50044793	1	ChEMBL_1437081 (CHEMBL3390812)	Inhibition of human HMG-CoA reductase activity using NADPH by spectrophotometrically
50013681	5	ChEMBL_31803 (CHEMBL643209)	Displacement of [3H]ZM-241385 from human adenosine A2A receptors expressed in HEK293 cells
50013681	4	ChEMBL_30302 (CHEMBL639471)	Inhibitory activity against NECA stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor
50013681	2	ChEMBL_30602 (CHEMBL642009)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50013681	3	ChEMBL_29890 (CHEMBL641961)	Displacement of [3H]MRE3008-F20 from human A3 receptors expressed in HEK293 cells
50013681	1	ChEMBL_27900 (CHEMBL640560)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells
50013682	1	ChEMBL_66566 (CHEMBL677833)	In vitro inhibition of Epidermal growth factor receptor tyrosine kinase isolated from A431 (human carcinoma).
50044793	2	ChEMBL_1437082 (CHEMBL3390813)	Inhibition of human HMG-CoA reductase after 30 mins
50044794	1	ChEMBL_1437088 (CHEMBL3390819)	Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior to calcein AM addition measured after 30 mins by fluorescence analysis
50044794	2	ChEMBL_1437089 (CHEMBL3381103)	Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins prior to rhodamine-123 addition measured after 90 mins by fluorescence analysis
50044795	1	ChEMBL_1437727 (CHEMBL3382374)	Inhibition of human cathepsin L using Z-Phe-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins
50044795	2	ChEMBL_1437725 (CHEMBL3382372)	Inhibition of human cathepsin B using Z-Arg-Arg-pNA chromogenic substrate fluorogenic substrate incubated for 30 mins
50044795	3	ChEMBL_1437723 (CHEMBL3382370)	Inhibition of human cathepsin S using Z-Phe-Arg-AMC fluorogenic substrate fluorogenic substrate incubated for 60 mins
50044795	4	ChEMBL_1437721 (CHEMBL3382368)	Inhibition of human cathepsin K using Z-Leu-Arg-AMC fluorogenic substrate incubated for 60 mins
50044796	1	ChEMBL_1437736 (CHEMBL3382383)	Inhibition of BCL-2 (unknown origin) incubated for 1 hr by TR-FRET assay
50044796	2	ChEMBL_1437735 (CHEMBL3382382)	Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay
50013689	2	ChEMBL_99042 (CHEMBL712595)	In vitro inhibitory activity against human liver glycogen phosphorylase a (HLGPa)
50013689	1	ChEMBL_138359 (CHEMBL873438)	In vitro inhibitory activity against human muscle glycogen phosphorylase a (HMGPa)
50013692	1	ChEMBL_1718 (CHEMBL616924)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor
50013692	2	ChEMBL_1349 (CHEMBL616534)	Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor
50013697	1	ChEMBL_221512 (CHEMBL841495)	Inhibition of binding to p56 Lck tyrosine kinase SH2 domain
50013698	5	ChEMBL_33823 (CHEMBL646853)	Inhibitory activity against alpha-Fucosidase in bovine kidney
50044796	3	ChEMBL_1437734 (CHEMBL3382381)	Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay
50044796	4	ChEMBL_1437733 (CHEMBL3382380)	Binding affinity to BCL-XL (unknown origin)
50044796	5	ChEMBL_1437731 (CHEMBL3382378)	Inhibition of BCL-XL (unknown origin) expressed in mcl-1 deficient MEF assessed as induction of cell killing in presence of 10% FBS
50044796	6	ChEMBL_1437738 (CHEMBL3382385)	Inhibition of BCL-XL (unknown origin) expressed in mcl-1 deficient MEF assessed as induction of cell killing incubated for 48 hrs in presence of 10% FBS by Cell titerGlo reagent based assay
50044796	7	ChEMBL_1437744 (CHEMBL3382391)	Binding affinity to BCL-W (unknown origin)
50044796	8	ChEMBL_1437745 (CHEMBL3382392)	Binding affinity to MCL1 (unknown origin)
50044797	1	ChEMBL_1437750 (CHEMBL3383000)	Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry
50044797	2	ChEMBL_1437751 (CHEMBL3383001)	Inhibition of porcine tubulin polymerization by spectrophotometry
50044798	1	ChEMBL_1438504 (CHEMBL3385494)	Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay
50013701	2	ChEBML_213204	Inhibitory constant evaluated against trypsin
50013701	1	ChEBML_208918	Inhibitory constant evaluated against thrombin (Factor IIa)
50044798	2	ChEMBL_1438503 (CHEMBL3384907)	Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay
50013703	2	ChEMBL_46457 (CHEMBL657904)	Binding affinity towards Cannabinoid receptor 1 using CP-55940 as radioligand in HEK293 EBNA cells
50013703	1	ChEBML_46989	Binding affinity towards Cannabinoid receptor 2 using CP-55940 as radioligand in HEK293 EBNA cells
50013703	3	ChEMBL_46988 (CHEMBL658957)	Binding affinity towards Cannabinoid receptor 2
50013703	4	ChEBML_46456	Binding affinity towards Cannabinoid receptor 1
50044798	3	ChEMBL_1438500 (CHEMBL3384904)	Agonist activity at mouse GPR39 by IP1 assay
50044798	4	ChEMBL_1438499 (CHEMBL3384903)	Agonist activity at rat GPR39 by IP1 assay
50044798	5	ChEMBL_1438498 (CHEMBL3384902)	Agonist activity at human GPR39 by IP1 assay
50044798	6	ChEMBL_1438505 (CHEMBL3385495)	Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay
50044798	7	ChEMBL_1438506 (CHEMBL3385496)	Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay
50044798	8	ChEMBL_1438516 (CHEMBL3385506)	Binding affinity to human ghrelin receptor
50044798	9	ChEMBL_1438517 (CHEMBL3385507)	Binding affinity to human neurotensin 1 receptor
50044799	1	ChEMBL_1438525 (CHEMBL3385515)	Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins
50044800	1	ChEMBL_1438528 (CHEMBL3385518)	Binding affinity to AT2 receptor (unknown origin)
50044800	2	ChEMBL_1438527 (CHEMBL3385517)	Binding affinity to AT1 receptor (unknown origin)
50044801	1	ChEMBL_1438541 (CHEMBL3385531)	Inhibition of human cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay
50044801	2	ChEMBL_1438542 (CHEMBL3385532)	Inhibition of mouse cathepsin S using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay
50044801	3	ChEMBL_1438544 (CHEMBL3386075)	Inhibition of human cathepsin L using benzyloxycarbonyl-L-Leucyl-L-Arginine 4-Methyl-coumaryl-7-amide substrate by FRET assay
50044802	1	ChEMBL_1439293 (CHEMBL3387961)	Inhibition of human recombinant COX2 pre-incubated for 15 mins before fluorometric substrate addition by fluorescence based assay
50013709	1	ChEBML_210992	Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain
50044802	2	ChEMBL_1439292 (CHEMBL3387960)	Inhibition of human recombinant COX1 pre-incubated for 15 mins before fluorometric substrate addition by fluorescence based assay
50013709	4	ChEMBL_210993 (CHEMBL812107)	Inhibitory activity against Cruzain;range is 20-50
50044803	1	ChEMBL_1440048 (CHEMBL3381295)	Inhibition of human ERG channel by patch clamp technique
50044804	1	ChEMBL_1440819 (CHEMBL3373353)	Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay
50044805	1	ChEMBL_1441589 (CHEMBL3376469)	Inhibition of phosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay
50044805	2	ChEMBL_1441590 (CHEMBL3376470)	Inhibition of ABL (unknown origin)
50044805	3	ChEMBL_1441591 (CHEMBL3376471)	Inhibition of AKT1 (unknown origin)
50044805	4	ChEMBL_1441592 (CHEMBL3376472)	Inhibition of CDK2 (unknown origin)
50044805	5	ChEMBL_1441593 (CHEMBL3376473)	Inhibition of B-RAF (unknown origin)
50044805	6	ChEMBL_1441594 (CHEMBL3376474)	Inhibition of CHK1 (unknown origin)
50044805	7	ChEMBL_1441595 (CHEMBL3376475)	Inhibition of CSNK1D (unknown origin)
50044805	8	ChEMBL_1441596 (CHEMBL3376476)	Inhibition of TSSK2 (unknown origin)
50044805	9	ChEMBL_1441597 (CHEMBL3376477)	Inhibition of EPHB4 (unknown origin)
50044805	10	ChEMBL_1441598 (CHEMBL3376478)	Inhibition of FLT3 (unknown origin)
50013715	1	ChEBML_89932	Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme
50044805	11	ChEMBL_1441599 (CHEMBL3376479)	Inhibition of IGF1R (unknown origin)
50044805	12	ChEMBL_1441600 (CHEMBL3376480)	Inhibition of IKKbeta (unknown origin)
50044805	13	ChEMBL_1441601 (CHEMBL3376481)	Inhibition of IRAK4 (unknown origin)
50044805	14	ChEMBL_1441602 (CHEMBL3376482)	Inhibition of JAK2 (unknown origin)
50044805	15	ChEMBL_1441603 (CHEMBL3376483)	Inhibition of LCK (unknown origin)
50044805	16	ChEMBL_1441604 (CHEMBL3376484)	Inhibition of MET (unknown origin)
50044805	17	ChEMBL_1441605 (CHEMBL3376485)	Inhibition of MST2 (unknown origin)
50044805	18	ChEMBL_1441606 (CHEMBL3377052)	Inhibition of NEK2 (unknown origin)
50044805	19	ChEMBL_1441607 (CHEMBL3377053)	Inhibition of PKCA (unknown origin)
50044805	20	ChEMBL_1441608 (CHEMBL3377054)	Inhibition of PLK3 (unknown origin)
50044805	21	ChEMBL_1441609 (CHEMBL3377055)	Inhibition of ROCK2 (unknown origin)
50044805	22	ChEMBL_1441610 (CHEMBL3377056)	Inhibition of RSK2 (unknown origin)
50044805	23	ChEMBL_1441611 (CHEMBL3377057)	Inhibition of EGFR (unknown origin)
50044805	24	ChEMBL_1441612 (CHEMBL3377058)	Inhibition of p38beta (unknown origin)
50044805	25	ChEMBL_1441613 (CHEMBL3377059)	Inhibition of MEK1 (unknown origin)
50044805	26	ChEMBL_1441614 (CHEMBL3377060)	Inhibition of VEGFR1 (unknown origin)
50044805	27	ChEMBL_1441615 (CHEMBL3377061)	Inhibition of CDK4 (unknown origin)
50044805	28	ChEMBL_1441616 (CHEMBL3377062)	Inhibition of GSK3beta (unknown origin)
50044805	29	ChEMBL_1441617 (CHEMBL3377063)	Inhibition of CDK6 (unknown origin)
50044805	30	ChEMBL_1441586 (CHEMBL3376466)	Inhibition of inactive ERK2 (unknown origin) coupled with human MEK1 using IMAP peptide substrate after 30 mins by coupled ERK2 assay
50044805	31	ChEMBL_1441587 (CHEMBL3376467)	Inhibition of activated ERK2 (unknown origin) using IMAP peptide substrate after 30 mins by activated ERK2 assay
50044805	32	ChEMBL_1441588 (CHEMBL3376468)	Inhibition of unphosphorylated ERK2 (unknown origin) by temperature dependent fluorescence (TdF) assay
50044806	1	ChEMBL_1442420 (CHEMBL3380050)	Inhibition of TTR I84T mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay
50044806	2	ChEMBL_1442419 (CHEMBL3379477)	Inhibition of TTR L55P mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay
50013719	1	ChEBML_144129	Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radioligand in baculovirus-infected Sf9 cells
50044806	3	ChEMBL_1441631 (CHEMBL3377077)	Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay
50044807	1	ChEMBL_1442441 (CHEMBL3380071)	Binding affinity to BRD4 (unknown origin) by isothermal titration colorimetry
50044807	2	ChEMBL_1442442 (CHEMBL3380072)	Binding affinity to TAF1 (unknown origin) by bromodomain displacement assay
50044807	3	ChEMBL_1442443 (CHEMBL3380073)	Binding affinity to TAF1L (unknown origin) by bromodomain displacement assay
50044807	4	ChEMBL_1442439 (CHEMBL3380069)	Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay
50044808	1	ChEMBL_1442444 (CHEMBL3380074)	Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy
50013723	2	ChEBML_71591	Binding affinity towards human gonadotropin-releasing hormone receptor
50013723	1	ChEBML_71746	Binding affinity towards rat Gonadotropin-releasing hormone receptor
50013724	1	ChEBML_46875	Binding affinity against Murine caspase-1 (mCsp-1)
50013724	2	ChEBML_46678	Binding affinity against caspase-3 (Csp-3)
50044809	1	ChEMBL_1442449 (CHEMBL3380079)	Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins
50044809	2	ChEMBL_1442448 (CHEMBL3380078)	Binding affinity to sPLA2X (unknown origin)
50044809	3	ChEMBL_1442447 (CHEMBL3380077)	Binding affinity to sPLA2X (unknown origin) by NMR spectroscopy based displacement assay
50024162	1	ChEMBL_504458 (CHEMBL982333)	Inhibition of tyrosinase
50024164	1	ChEMBL_504462 (CHEMBL982337)	Inhibition of Flavobacterium meningosepticum propyl endopeptidase
50044810	1	ChEMBL_1432519 (CHEMBL3386951)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method
50044810	2	ChEMBL_1432515 (CHEMBL3386947)	Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay
50044811	1	ChEMBL_1432525 (CHEMBL3386957)	Inhibition of Escherichia coli FabH
50013730	1	ChEMBL_158958 (CHEMBL764418)	Inhibition of human cytomegalovirus protease in HCMV pNA assay.
50013730	8	ChEMBL_225579 (CHEMBL847935)	Concentration required to inhibit thrombin
50013730	9	ChEMBL_29405 (CHEMBL643378)	Concentration required to inhibit Acetylcholinesterase
50044812	1	ChEMBL_1434272 (CHEMBL3385817)	Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50013730	7	ChEMBL_208856 (CHEMBL816691)	Concentration of compound required to inhibit thrombin
50044812	2	ChEMBL_1434271 (CHEMBL3385816)	Displacement of [3H]-N-(4-{[(2- Chlorophenyl)amino]sulfonyl} phenyl )pyridine-2-carboxamide from human mGlu4 receptor after 30 mins by scintillation counting analysis
50013730	2	ChEMBL_29405 (CHEMBL643378)	Concentration required to inhibit Acetylcholinesterase
50044813	1	ChEMBL_1434999 (CHEMBL3387083)	Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis
50044813	2	ChEMBL_1435707 (CHEMBL3388340)	Inhibition of CYP3A4 (unknown origin) using testosterone substrate
50044813	3	ChEMBL_1435702 (CHEMBL3388335)	Inhibition of CYP2C8 (unknown origin) using amodiaquine substrate
50044813	4	ChEMBL_1435002 (CHEMBL3387086)	Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA
50044813	5	ChEMBL_1435700 (CHEMBL3388333)	Inhibition of CYP1A2 (unknown origin) using tacrin substrate
50044813	6	ChEMBL_1435701 (CHEMBL3388334)	Inhibition of CYP2B6 (unknown origin) using bupropion substrate
50044813	7	ChEMBL_1435703 (CHEMBL3388336)	Inhibition of CYP2C9 (unknown origin) using diclofenac substrate
50044813	8	ChEMBL_1435704 (CHEMBL3388337)	Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate
50044813	9	ChEMBL_1435705 (CHEMBL3388338)	Inhibition of CYP2D6 (unknown origin) using dextromethophan substrate
50013731	1	ChEMBL_210064 (CHEMBL813588)	Inhibitory activity against human telomerase
50044813	10	ChEMBL_1435706 (CHEMBL3388339)	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50044814	1	ChEMBL_1436406 (CHEMBL3390150)	Binding affinity to N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay
50044814	2	ChEMBL_1436397 (CHEMBL3389600)	Inhibition of PRMT1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay
50044814	3	ChEMBL_1436396 (CHEMBL3389599)	Inhibition of SET7/9 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay
50044814	4	ChEMBL_1436395 (CHEMBL3389598)	Inhibition of MLL1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay
50044814	5	ChEMBL_1436394 (CHEMBL3389597)	Inhibition of SUV39H1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay
50044814	6	ChEMBL_1436393 (CHEMBL3389596)	Inhibition of G9a (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay
50044814	7	ChEMBL_1436392 (CHEMBL3389595)	Inhibition of DNMT3B (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting based radioactive methylation assay
50044814	8	ChEMBL_1436391 (CHEMBL3389594)	Inhibition of DNMT3A (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting based radioactive methylation assay
50044814	9	ChEMBL_1436389 (CHEMBL3389592)	Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting based radioactive methylation assay
50044815	1	ChEMBL_1436421 (CHEMBL3390165)	Agonist activity at human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter gene assay
50044816	1	ChEMBL_1437137 (CHEMBL3381706)	Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis
50044816	2	ChEMBL_1437136 (CHEMBL3381705)	Apparent inhibition of human dCK by steady-state kinetic assay
50044816	3	ChEMBL_1437135 (CHEMBL3381704)	Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay
50044817	1	ChEMBL_1437145 (CHEMBL3381714)	Binding affinity to dopamine D3 receptor (unknown origin)
50044817	2	ChEMBL_1437146 (CHEMBL3381715)	Binding affinity to 5HT1A receptor (unknown origin)
50044817	3	ChEMBL_1437147 (CHEMBL3381716)	Binding affinity to 5HT2A receptor (unknown origin)
50013737	8	ChEMBL_156455 (CHEMBL764833)	Inhibition of bovine aorta PDE3 (Phosphodiesterase 3)
50013737	3	ChEMBL_155186 (CHEMBL761833)	In vitro inhibitory activity against bovine phosphodiesterase 5
50013737	6	ChEMBL_156319 (CHEMBL762552)	Inhibition of Human recombinant PDE2 (Phosphodiesterase 2)
50013737	1	ChEMBL_155187 (CHEMBL761834)	Inhibition of bovine aorta PDE5 (Phosphodiesterase 5)
50013738	1	ChEMBL_223468 (CHEMBL874055)	In vitro inhibition of prolyl oligopeptidase (POP) from pig brain
50044817	4	ChEMBL_1437148 (CHEMBL3381717)	Binding affinity to 5HT2C receptor (unknown origin)
50044817	5	ChEMBL_1437792 (CHEMBL3383589)	Binding affinity to alpha2 adrenoreceptor (unknown origin)
50044817	6	ChEMBL_1437793 (CHEMBL3383590)	Binding affinity to human histamine H1 receptor
50044817	7	ChEMBL_1437794 (CHEMBL3383591)	Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells assessed as reduction in dopamine-induced response by [35S]GTPgammaS binding assay
50044817	8	ChEMBL_1437795 (CHEMBL3383592)	Agonist activity at human 5HT1A receptor (unknown origin) expressed in CHO cells by [35S]GTPgammaS binding assay
50044817	9	ChEMBL_1437796 (CHEMBL3383593)	Antagonist activity at 5HT2A receptor in rat aortic rings assessed as reduction in 5-HT-induced contraction
50044817	11	ChEMBL_1437144 (CHEMBL3381713)	Binding affinity to dopamine D2 receptor (unknown origin)
50013747	3	ChEMBL_71960 (CHEMBL686125)	Inhibition of [3H]-GGPP incorporation into recombinant human Ha-Ras-CVLL by Geranylgeranyl transferase type I
50013747	2	ChEBML_70452	Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras-CVLS by farnesyl transferase
50013751	1	ChEBML_144761	Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes
50013752	1	ChEBML_37595	In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.
50013757	2	ChEBML_48637	Inhibitory activity against human Coagulation factor X in a purified enzyme system
50013757	1	ChEMBL_48638 (CHEMBL659618)	Inhibitory activity against human coagulation factor X in a purified enzyme system
50013758	1	ChEBML_48980	Inhibitory activity against coagulation factor X
50013758	3	ChEBML_208870	Inhibitory activity against thrombin
50013758	2	ChEBML_48465	Inhibitory activity against tissue coagulation factor VII
50044818	1	ChEMBL_1438568 (CHEMBL3386099)	Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay
50013765	2	ChEBML_211866	Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase in turbidity using microtubule assembly assay
50013769	3	ChEBML_60694	In vitro ability to inhibit the binding of [3H]spiperone to cloned human dopamine receptor D4 using apomorphine induced climbing test in male Swiss mice
50013769	1	ChEBML_62293	In vitro ability to inhibit the binding of [3H]7-OH-DPAT to cloned human Dopamine receptor D3 using apomorphine induced climbing test in male Swiss mice
50013769	2	ChEBML_60234	In vitro ability to inhibit the binding of [3H]spiperone to cloned human Dopamine receptor D2 using apomorphine induced climbing test in male Swiss mice
50044818	2	ChEMBL_1438567 (CHEMBL3386098)	Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay
50044818	3	ChEMBL_1438566 (CHEMBL3386097)	Activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay
50044818	4	ChEMBL_1438565 (CHEMBL3386096)	Activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay
50013774	6	ChEBML_158175	Affinity at human Prostanoid EP1 receptor in the human embryonic kidney (HEK) 293 cell line.
50013774	8	ChEBML_158318	Affinity at human Prostanoid EP3 receptor in the human embryonic kidney (HEK) 293 cell line.
50013774	1	ChEBML_158332	Affinity at human Prostanoid EP4 receptor in the human embryonic kidney (HEK) 293 cell line.
50013774	3	ChEBML_158301	Affinity at human Prostanoid EP2 receptor in the human embryonic kidney (HEK) 293 cell line.
50013774	7	ChEBML_225589	Ability to inhibit the binding of human Thromboxane A2 receptor to TXA2
50013774	5	ChEBML_157960	Ability to inhibit the binding of human FP receptor to PGD-2
50013774	4	ChEBML_158013	Ability to inhibit the binding of human IP receptor to Prostaglandin I2 receptor
50044819	1	ChEMBL_1438591 (CHEMBL3386696)	Binding affinity to human A2A receptor
50044819	2	ChEMBL_1438594 (CHEMBL3386699)	Displacement of radiolabeled MK499 from human ERG
50013776	3	ChEMBL_71791 (CHEMBL686002)	In vitro inhibition of the human Geranylgeranyl transferase-catalyzed incorporation of [3H]GGPP into biotinylated peptide corresponding to the C-terminal of human K-Ras.
50013776	1	ChEBML_70442	In vitro inhibition of the human FTase-catalyzed incorporation of [3H]FPP into recombinant Ras CVIM.
50013779	1	ChEBML_71137	Inhibition of Glycogen synthase kinase-3 beta
50013779	8	ChEBML_161148	Inhibition of Protein kinase C gamma
50013779	14	ChEMBL_43104 (CHEMBL657561)	Inhibition of Calcium/calmodulin-dependent protein kinase type II
50013779	3	ChEBML_160612	Inhibition of Protein kinase C beta 2
50013779	13	ChEMBL_161746 (CHEMBL769036)	Inhibition of Protein kinase A
50013779	18	ChEMBL_52495 (CHEMBL666089)	Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING
50044819	3	ChEMBL_1438589 (CHEMBL3386694)	Inhibition of human ACAT1
50013779	17	ChEMBL_52490 (CHEMBL666084)	Inhibition of Cyclin B-cyclin-dependent kinase 1
50013779	15	ChEMBL_161744 (CHEMBL769034)	Inhibition of Protein kinase A
50044819	4	ChEMBL_1438588 (CHEMBL3386693)	Inhibition of mouse DGAT1
50044819	5	ChEMBL_1438587 (CHEMBL3386692)	Inhibition of human DGAT1
50044820	1	ChEMBL_1440082 (CHEMBL3381909)	Inhibition of MEK-1 (unknown origin) after 120 mins by mobility shift assay
50044821	1	ChEMBL_1440889 (CHEMBL3374592)	Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by Western blotting and HRE-luciferase reporter assay
50044821	2	ChEMBL_1440890 (CHEMBL3374593)	Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition
50044821	3	ChEMBL_1440896 (CHEMBL3374599)	Competitive inhibition of MDH2 (unknown origin) using varying NADH level by oxaloacetate-dependent NADH oxidation based Lineweaver-Burk plot
50044822	1	ChEMBL_1440909 (CHEMBL3375173)	Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis
50044822	2	ChEMBL_1440910 (CHEMBL3375174)	Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis
50044822	3	ChEMBL_1440906 (CHEMBL3374609)	Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay
50044822	4	ChEMBL_1440907 (CHEMBL3375171)	Binding affinity to Staphylococcus aureus HPPK by isothermal calorimetry
50044822	5	ChEMBL_1440908 (CHEMBL3375172)	Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP
50044823	1	ChEMBL_1440917 (CHEMBL3375181)	Inhibition of human CA-9 by stopped flow CO2 hydrase assay
50044823	2	ChEMBL_1440918 (CHEMBL3375182)	Inhibition of human CA-12 by stopped flow CO2 hydrase assay
50044823	3	ChEMBL_1440915 (CHEMBL3375179)	Inhibition of human CA-1 by stopped flow CO2 hydrase assay
50013782	3	ChEMBL_140617 (CHEMBL752265)	Inhibition of N-methyl-D-aspartate glutamate receptor-evoked increase of intracellular Ca+ in cells expressing NMDA glutamate receptor 1/2B
50044823	4	ChEMBL_1440916 (CHEMBL3375180)	Inhibition of human CA-2 by stopped flow CO2 hydrase assay
50044824	1	ChEMBL_1441642 (CHEMBL3377088)	Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by fluorescent thermal shift assay
50044824	2	ChEMBL_1441643 (CHEMBL3377089)	Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	3	ChEMBL_1441644 (CHEMBL3377090)	Inhibition of chimeric carbonic anhydrase 12 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by fluorescent thermal shift assay
50044824	4	ChEMBL_1441645 (CHEMBL3377091)	Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	5	ChEMBL_1441646 (CHEMBL3377092)	Inhibition of human carbonic anhydrase 14 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	6	ChEMBL_1440922 (CHEMBL3375186)	Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	7	ChEMBL_1440923 (CHEMBL3375187)	Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	8	ChEMBL_1441635 (CHEMBL3377081)	Inhibition of human carbonic anhydrase 3 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	9	ChEMBL_1441636 (CHEMBL3377082)	Inhibition of human carbonic anhydrase 4 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	10	ChEMBL_1441637 (CHEMBL3377083)	Inhibition of human carbonic anhydrase 5A at pH7 and 37 degC by fluorescent thermal shift assay
50044824	11	ChEMBL_1441638 (CHEMBL3377084)	Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay
50044824	12	ChEMBL_1441639 (CHEMBL3377085)	Inhibition of human carbonic anhydrase 6 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	13	ChEMBL_1441640 (CHEMBL3377086)	Inhibition of human carbonic anhydrase 7 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	14	ChEMBL_1441641 (CHEMBL3377087)	Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by fluorescent thermal shift assay
50044824	15	ChEMBL_1441647 (CHEMBL3377093)	Inhibition of human carbonic anhydrase 1 at pH7 and 37 degC by isothermal titration calorimetry
50044824	16	ChEMBL_1441648 (CHEMBL3377094)	Inhibition of human carbonic anhydrase 2 at pH7 and 37 degC by isothermal titration calorimetry
50044824	17	ChEMBL_1441649 (CHEMBL3377095)	Inhibition of human carbonic anhydrase 7 at pH7 and 37 degC by isothermal titration calorimetry
50044824	18	ChEMBL_1441650 (CHEMBL3377627)	Inhibition of human carbonic anhydrase 9 at pH7 and 37 degC by isothermal titration calorimetry
50044824	19	ChEMBL_1441651 (CHEMBL3377628)	Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 37 degC by isothermal titration calorimetry
50044824	20	ChEMBL_1441652 (CHEMBL3377629)	Inhibition of human carbonic anhydrase 12 at pH7 and 37 degC by isothermal titration calorimetry
50044824	21	ChEMBL_1441653 (CHEMBL3377630)	Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by isothermal titration calorimetry
50044824	22	ChEMBL_1441654 (CHEMBL3377631)	Inhibition of human carbonic anhydrase 1 at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50044824	23	ChEMBL_1441655 (CHEMBL3377632)	Inhibition of human carbonic anhydrase 2 at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50044824	24	ChEMBL_1441656 (CHEMBL3377633)	Inhibition of human carbonic anhydrase 9 at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50044824	25	ChEMBL_1441657 (CHEMBL3377634)	Inhibition of chimeric carbonic anhydrase 9 (unknown origin) expressing with full length CA2 (1 to 260) at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50044824	26	ChEMBL_1441658 (CHEMBL3377635)	Inhibition of human carbonic anhydrase 12 at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50044824	27	ChEMBL_1441659 (CHEMBL3377636)	Inhibition of human carbonic anhydrase 13 at pH7 and 25 degC by stopped-flow kinetic inhibition assay
50013792	1	ChEMBL_203192 (CHEMBL804437)	In vitro inhibitory concentration against Leishmania major Sterol 24-C-methyltransferase (24-SMT)
50013794	1	ChEMBL_31113 (CHEMBL642224)	Inhibitory activity against human recombinant adenosine kinase
50013798	2	ChEMBL_217805 (CHEMBL823261)	Inhibition of alphaV-beta3 integrin binding
50013798	3	ChEMBL_30118 (CHEMBL640475)	Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation
50024182	1	ChEMBL_504581 (CHEMBL993793)	Inhibition of Escherichia coli ECOR1
50024185	1	ChEMBL_504593 (CHEMBL994550)	Displacement of [3H]SR141716A from CB1 receptor in CD rat brain membranes
50013804	3	ChEMBL_3608 (CHEMBL618091)	Binding affinity towards 5-hydroxytryptamine 6 receptor using [3H]- LSD as radioligand
50013804	2	ChEMBL_51205 (CHEMBL664324)	Inhibition of recombinant human Cytochrome P450 19A1
50013804	1	ChEMBL_51533 (CHEMBL660393)	Inhibition of recombinant human Cytochrome P450 2C9
50013804	7	ChEMBL_51906 (CHEMBL666012)	Inhibition of recombinant human Cytochrome P450 3A4 with BzRes
50013804	5	ChEMBL_51720 (CHEMBL663535)	Inhibition of recombinant human Cytochrome P450 2D6
50013804	4	ChEMBL_51360 (CHEMBL663692)	Inhibition of recombinant human Cytochrome P450 1A2
50013804	6	ChEMBL_51905 (CHEMBL666011)	Inhibition of recombinant human Cytochrome P450 3A4 with BFC
50044825	1	ChEMBL_1441663 (CHEMBL3377640)	Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product
50044825	2	ChEMBL_1441661 (CHEMBL3377638)	Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic product
50044825	3	ChEMBL_1441660 (CHEMBL3377637)	Inhibition of human recombinant caspase 1 using Ac-YVAD-AMC substrate assessed as accumulation of cleaved fluorogenic product
50013808	3	ChEMBL_154197 (CHEMBL760004)	In vitro transactivation of human Peroxisome proliferator activated receptor gamma
50013808	4	ChEMBL_153400 (CHEMBL763853)	In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)
50013808	2	ChEMBL_153713 (CHEMBL759644)	In vitro transactivation of rat Peroxisome proliferator activated receptor alpha
50013808	1	ChEMBL_153868 (CHEMBL759390)	In vitro transactivation of human Peroxisome proliferator activated receptor delta (hPPARdelta)
50013810	1	ChEMBL_158653 (CHEMBL763439)	Inhibition of platelet-derived growth factor receptor beta phosphorylation was measured in intact cells using a two-site enzyme linked immunosorbent assay (ELISA)
50013815	2	ChEMBL_106324 (CHEMBL709895)	Intracellular cAMP accumulation in Melanocortin 4 receptor functional assay.
50013815	5	ChEMBL_106655 (CHEMBL713000)	Binding affinity against human Melanocortin 5 receptor by gamma-MCH displacement.
50044825	4	ChEMBL_1441662 (CHEMBL3377639)	Inhibition of human recombinant caspase 6 using Ac-VEID-AMC substrate assessed as accumulation of cleaved fluorogenic product
50044826	1	ChEMBL_1442516 (CHEMBL3371640)	Inhibition of cathepsin D (unknown origin)
50044826	2	ChEMBL_1442517 (CHEMBL3371641)	Inhibition of cathepsin E (unknown origin)
50044826	3	ChEMBL_1441679 (CHEMBL3377656)	Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis
50044826	4	ChEMBL_1441678 (CHEMBL3377655)	Inhibition of BACE1 in HEK293 cells assessed as Abeta40 level after overnight incubation by sandwich ELISA
50044826	5	ChEMBL_1441677 (CHEMBL3377654)	Inhibition of BACE1 (unknown origin) incubated for 60 mins prior to substrate addition measured after 60 mins by fluorescence assay
50013816	1	ChEMBL_147581 (CHEMBL750159)	Antagonistic activity against P2Y purinoceptor 1
50013816	2	ChEMBL_147583 (CHEMBL750161)	Inhibition of [3H]5 binding to P2Y purinoceptor 1 expressed in Sf9 cells
50044826	6	ChEMBL_1442513 (CHEMBL3371637)	Inhibition of BACE2 (unknown origin)
50044826	7	ChEMBL_1442514 (CHEMBL3371638)	Inhibition of renin (unknown origin)
50044827	1	ChEMBL_1442535 (CHEMBL3371659)	Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis
50044827	2	ChEMBL_1442536 (CHEMBL3371660)	Inhibition of human PR3 using keto-D-DY-FRET as substrate after 30 mins by HPLC analysis
50044827	3	ChEMBL_1442537 (CHEMBL3371661)	Inhibition of human PR3 using keto-D-DY-FRET as substrate
50044828	1	ChEMBL_1443314 (CHEMBL3374744)	Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay
50044828	2	ChEMBL_1443313 (CHEMBL3374743)	Inhibition of house dust mite Derp-1 after 20 mins
50044828	3	ChEMBL_1443312 (CHEMBL3374742)	Reversible inhibition of house dust mite Derp-1
50044828	4	ChEMBL_1443330 (CHEMBL3375305)	Inhibition of cathepsin B (unknown origin)
50044829	1	ChEMBL_1432555 (CHEMBL3387537)	Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry
50044830	1	ChEMBL_1433465 (CHEMBL3382735)	Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1
50044830	2	ChEMBL_1433466 (CHEMBL3382736)	Inhibition of JAK2 in human whole blood assessed as inhibition of GM-CSF-induced pSTAT5
50044830	3	ChEMBL_1433479 (CHEMBL3382749)	Inhibition of human ERG channel by patch clamp assay
50044830	4	ChEMBL_1433480 (CHEMBL3382750)	Inhibition of CYP1A2 (unknown origin)
50044830	5	ChEMBL_1433481 (CHEMBL3382751)	Inhibition of CYP2C9 (unknown origin)
50044830	6	ChEMBL_1433482 (CHEMBL3382752)	Inhibition of CYP2D6 (unknown origin)
50044830	7	ChEMBL_1433483 (CHEMBL3382753)	Inhibition of CYP3A4 (unknown origin)
50044830	8	ChEMBL_1433484 (CHEMBL3382754)	Inhibition of CYP2C19 (unknown origin)
50044830	9	ChEMBL_1433485 (CHEMBL3382755)	Inhibition of human FLT3 (unknown origin)
50044830	10	ChEMBL_1433486 (CHEMBL3382756)	Inhibition of human FLT4 (unknown origin)
50044830	11	ChEMBL_1433487 (CHEMBL3382757)	Inhibition of human CSF1R (unknown origin)
50044830	12	ChEMBL_1433491 (CHEMBL3382761)	Inhibition of rat JAK1
50044830	13	ChEMBL_1433461 (CHEMBL3382731)	Inhibition of JAK2 in IL3-induced human TF1 cells assessed as pSTAT5
50044830	14	ChEMBL_1433462 (CHEMBL3382732)	Inhibition of JAK2 in IL3-induced human BaF3 cells assessed as cell proliferation
50044830	15	ChEMBL_1433463 (CHEMBL3382733)	Inhibition of JAK2 in EPO-induced human UT7-EPO cells assessed as pSTAT5
50044830	16	ChEMBL_1433464 (CHEMBL3382734)	Inhibition of JAK2 in PRL-induced human 22Rv1 cells assessed as pSTAT5
50044830	17	ChEMBL_1432584 (CHEMBL3388143)	Inhibition of human recombinant JAK1
50013824	3	ChEMBL_54777 (CHEMBL884432)	Inhibition of dihydrofolate reductase from pneumocystis carinii.
50013824	1	ChEMBL_55107 (CHEMBL665434)	Inhibition of dihydrofolate reductase from rat liver.
50013824	2	ChEMBL_52861 (CHEMBL884363)	Inhibition of dihydrofolate reductase from Toxoplasma gondii.
50013826	4	ChEMBL_27791 (CHEMBL637618)	In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica
50013826	2	ChEMBL_41087 (CHEMBL651728)	In vitro anticholinesterase activity against butyrylcholinesterase from torpedo californica
50013826	3	ChEMBL_41266 (CHEMBL654391)	In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica
50013826	1	ChEMBL_27799 (CHEMBL636509)	In vitro binding affinity was determined against acetylcholinesterase from torpedo californica
50044830	18	ChEMBL_1432585 (CHEMBL3388144)	Inhibition of human recombinant JAK2
50044830	19	ChEMBL_1432586 (CHEMBL3388145)	Inhibition of human recombinant JAK3
50044830	20	ChEMBL_1432587 (CHEMBL3388146)	Inhibition of human recombinant TYK2
50044830	21	ChEMBL_1432588 (CHEMBL3388147)	Inhibition of FGFR3 (unknown origin)
50044830	22	ChEMBL_1432589 (CHEMBL3388148)	Inhibition of GSK3beta (unknown origin)
50044830	23	ChEMBL_1432590 (CHEMBL3388149)	Inhibition of IKKbeta (unknown origin)
50044830	24	ChEMBL_1432591 (CHEMBL3388150)	Inhibition of LCK (unknown origin)
50044830	25	ChEMBL_1432592 (CHEMBL3388151)	Inhibition of MAPKAPK5 (unknown origin)
50044830	26	ChEMBL_1432593 (CHEMBL3388152)	Inhibition of p38alpha (unknown origin)
50044830	27	ChEMBL_1432595 (CHEMBL3388154)	Inhibition of PYK2 (unknown origin)
50044830	28	ChEMBL_1432596 (CHEMBL3388155)	Inhibition of RIPK2 (unknown origin)
50044830	29	ChEMBL_1432597 (CHEMBL3388156)	Inhibition of ROCK1 (unknown origin)
50044830	30	ChEMBL_1432598 (CHEMBL3388157)	Inhibition of SYK (unknown origin)
50044830	31	ChEMBL_1432599 (CHEMBL3388158)	Inhibition of TAK1 (unknown origin)
50044830	32	ChEMBL_1432600 (CHEMBL3388159)	Inhibition of TBK1 (unknown origin)
50044830	33	ChEMBL_1432601 (CHEMBL3388160)	Inhibition of CDK2 (unknown origin)
50044831	1	ChEMBL_1433494 (CHEMBL3382764)	Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay
50044831	2	ChEMBL_1433497 (CHEMBL3382767)	Binding affinity to human ERalpha
50044831	3	ChEMBL_1433498 (CHEMBL3382768)	Binding affinity to human ERbeta
50044831	4	ChEMBL_1433499 (CHEMBL3382769)	Antagonist activity at human recombinant ERalpha by FRET assay
50044831	5	ChEMBL_1433493 (CHEMBL3382763)	Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay
50013834	1	ChEBML_194030	Affinity at the 5-HT reuptake site labeled with [3H]paroxetine using rat frontal cortex membranes
50013834	4	ChEMBL_926 (CHEMBL615774)	Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]8-OH-DPAT as radioligand
50013838	4	ChEBML_196740	Inhibitory activity against human S-adenosyl-L-homocysteine hydrolase
50013840	1	ChEBML_124507	Inhibitory activity against Mitogen-activated protein kinase p38 alpha
50013840	2	ChEMBL_124654 (CHEMBL737063)	Inhibition of Mitogen-activated protein kinase p38 beta at 1000 nM
50044832	1	ChEMBL_1437166 (CHEMBL3382328)	Displacement of FITC-labeled EZH2 peptide from recombinant N-terminal 6His-tagged EED (residues 81 to 441) (unknown origin) expressed in Escherichia coli strain BL21 (DE3) after 1 hr by fluorescence polarization assay
50044833	1	ChEMBL_1437888 (CHEMBL3384852)	Inhibition of human NPP1 using p-Nph-5'-TMP as substrate
50013842	3	ChEBML_51118	Binding affinity by displacement of [125I]Tyr-o-CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cell.
50013842	1	ChEBML_51269	Effective concentration against Corticotropin releasing factor receptor 2 in IMR-32 cells
50013843	4	ChEBML_68479	In vitro inhibitory activity against farnesyltransferase (FT)
50013843	5	ChEMBL_71984 (CHEMBL683536)	In vitro inhibitory activity against Geranylgeranyl transferase type I
50013843	3	ChEBML_68469	In vitro effective concentration against farnesyltransferase (FT)
50013843	1	ChEBML_68471	In vitro effective concentration against farnesyltransferase (FT); Not active
50013844	1	ChEBML_39723	Inhibition of CD3/CD28 T-cell proliferation assay in PBL (peripheral blood lymphocytes)
50013844	5	ChEBML_69442	Inhibition of Fyn kinase
50013844	6	ChEMBL_221335 (CHEMBL841397)	Inhibition of human p56 Lck tyrosine kinase
50013844	7	ChEBML_221476	Inhibition of mouse p56 Lck tyrosine kinase
50013844	3	ChEMBL_221476 (CHEMBL842063)	Inhibition of mouse p56 Lck tyrosine kinase
50013844	2	ChEBML_84747	Inhibition of Hck kinase
50013844	13	ChEBML_214116	Inhibition of KDR kinase
50044833	2	ChEMBL_1437890 (CHEMBL3384854)	Competitive inhibition of human NPP1 using p-Nph-5'-TMP as substrate by Lineweaver-Burk plot analysis
50013844	4	ChEMBL_221485 (CHEMBL842072)	Inhibition of Lck kinase
50013844	8	ChEBML_91952	Inhibition of Jak3 kinase
50013844	16	ChEMBL_96909 (CHEMBL706268)	Inhibition of human Lck(hLck) kinase
50013844	17	ChEBML_68362	Inhibition of FAK kinase
50013844	12	ChEBML_50656	Inhibition of CDK2 kinase
50013844	10	ChEBML_78900	Inhibition of HER2 kinase
50013844	9	ChEBML_202602	Inhibition of Src kinase
50013844	15	ChEBML_67056	Inhibitory activity against HER1 kinase
50013846	2	ChEMBL_61583 (CHEMBL675755)	In vivo inhibitory activity against dopamine (D2) receptor in rat caudate-putamen tissue
50013846	4	ChEBML_60516	In vivo inhibitory activity against dopamine (D1) receptor in rat caudate-putamen tissue
50013846	3	ChEBML_61583	In vivo inhibitory activity against dopamine (D2) receptor in rat caudate-putamen tissue
50013847	2	ChEMBL_214696 (CHEMBL817831)	Ability to displace [3H]arginine vasopressin in cloned human V2 receptor at 0.2 uM
50044833	3	ChEMBL_1437891 (CHEMBL3384855)	Competitive inhibition of human NPP1 using ATP as substrate by Lineweaver-Burk plot analysis
50013853	9	ChEBML_196926	Displacement of [3H]9-cis-RA from RXR beta receptor in CV-1 cells
50013853	6	ChEBML_197090	Binding affinity against RXR gamma receptor using [3H]9-cis-RA as radioligand in CV-1 cells
50013853	8	ChEBML_197251	Binding affinity against RAR alpha receptor using [3H]ATRA as radioligand in CV-1 cells
50013853	10	ChEBML_195982	Displacement of [3H]ATRA from RAR gamma receptor in CV-1 cells; Not tested
50044833	4	ChEMBL_1437892 (CHEMBL3384856)	Competitive inhibition of human NPP2 using lysophosphotidylcholine as substrate
50044833	5	ChEMBL_1437893 (CHEMBL3384857)	Competitive inhibition of human NPP3 using ATP as substrate
50044834	1	ChEMBL_1437898 (CHEMBL3384862)	Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in pNPP hydrolysis by Lineweaver-Burk plot
50013853	5	ChEBML_195468	Binding affinity against RAR beta receptor using [3H]ATRA as radioligand in CV-1 cells
50013853	11	ChEMBL_195982 (CHEMBL807688)	Displacement of [3H]ATRA from RAR gamma receptor in CV-1 cells; Not tested
50044834	2	ChEMBL_1437897 (CHEMBL3384861)	Covalent irreversible inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in pNPP hydrolysis
50044834	3	ChEMBL_1437900 (CHEMBL3384864)	Inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in pNPP hydrolysis
50013853	3	ChEMBL_195470 (CHEMBL798147)	Displacement of [3H]ATRA from RAR gamma receptor expressed in CV-1 cells
50044834	4	ChEMBL_1437901 (CHEMBL3384865)	Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis
50013856	2	ChEBML_49439	In vitro inhibitory activity against human chymase
50044834	5	ChEMBL_1437902 (CHEMBL3384866)	Inhibition of STEP (unknown origin) assessed as reduction in pNPP hydrolysis
50013856	3	ChEBML_49615	In vitro inhibitory activity against bovin chymotrypsin
50013856	1	ChEBML_45349	In vitro inhibitory activity against human cathepsin G
50020896	6	ChEMBL_2421890	Inhibition of recombinant PARP1 (unknown origin)
50020896	7	ChEMBL_2421891	Inhibition of recombinant PARP2 (unknown origin)
50020897	1	ChEMBL_2421910	Inhibition of Plasmodium falciparum isolate K1 DNA topoisomerase 2
50020897	2	ChEMBL_2421917	Inhibition of Escherichia coli DNA gyrase ATPase activity incubated for 80 mins
50020898	1	ChEMBL_2422113	Displacement of fluorescent tracer 3'-chloro-N-(2-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)ethyl)-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carboxamide from Escherichia coli F18 full-length FimH expressed in Escherichia coli HM125 assessed as dissociation constant incubated for 24 hrs by competitive binding based fluorescence polarization assay
50044834	6	ChEMBL_1437903 (CHEMBL3384867)	Inhibition of MEG2 (unknown origin) assessed as reduction in pNPP hydrolysis
50044834	7	ChEMBL_1438612 (CHEMBL3386717)	Inhibition of PTP1B (unknown origin) assessed as reduction in pNPP hydrolysis
50044834	8	ChEMBL_1438613 (CHEMBL3386718)	Inhibition of VHR (unknown origin) assessed as reduction in pNPP hydrolysis
50044834	9	ChEMBL_1438614 (CHEMBL3386719)	Inhibition of SSH2 (unknown origin) assessed as reduction in pNPP hydrolysis
50044834	10	ChEMBL_1438615 (CHEMBL3386720)	Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis
50044834	11	ChEMBL_1438616 (CHEMBL3386721)	Inhibition of PPM1G (unknown origin) assessed as reduction in pNPP hydrolysis
50013862	3	ChEBML_48682	Inhibitory activity against cathepsin S (catS)
50013862	1	ChEBML_47612	Inhibitory activity against cathepsin B (catB)
50013862	2	ChEBML_48521	Inhibitory activity against cathepsin L (catL)
50013863	3	ChEBML_70983	Inhibitory activity against HLGP(human liver glycogen phosphorylase)
50013863	1	ChEBML_70986	Inhibitory activity against mouse liver glycogen phosphorylase
50013863	2	ChEBML_70984	Inhibitory activity against HMGP(human muscle glycogen phosphorylase)
50013863	4	ChEBML_70990	Inhibitory activity against rat liver glycogen phosphorylase
50044834	12	ChEMBL_1438621 (CHEMBL3386726)	Inhibition of Lyp in antiCD3-antibody-stimulated human Jurkat T cells assessed as activation of TCR-mediated and IL-2 promoter driven NFAT/AP1 transcriptional activation incubated for 1 hr by dual luciferase reporter gene assay
50044835	1	ChEMBL_1438637 (CHEMBL3387328)	Inhibition of cathepsin L (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry
50044835	2	ChEMBL_1438636 (CHEMBL3387327)	Inhibition of cathepsin B (unknown origin) using fluorometric Z-Phe-Arg-AMC as substrate by spectrofluorimetry
50044835	3	ChEMBL_1438635 (CHEMBL3387326)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorimetry
50044836	1	ChEMBL_1438652 (CHEMBL3387343)	Binding affinity to GluA2-LBD-L483Y-N754S complex (unknown origin) by isothermal titration calorimetry
50044837	1	ChEMBL_1439392 (CHEMBL3389757)	Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition measured after 30 mins by fluorescence assay
50044837	2	ChEMBL_1439393 (CHEMBL3389758)	Inhibition of MRP1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition measured after 30 mins by fluorescence assay
50013866	2	ChEMBL_68900 (CHEMBL676871)	In vitro inhibition of gamma secretase.
50044838	1	ChEMBL_1440126 (CHEMBL3382539)	Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044838	2	ChEMBL_1440127 (CHEMBL3382540)	Inhibition of human recombinant HDAC8 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044838	3	ChEMBL_1440128 (CHEMBL3382541)	Inhibition of human recombinant HDAC6 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044838	4	ChEMBL_1440129 (CHEMBL3382542)	Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044838	5	ChEMBL_1440130 (CHEMBL3382543)	Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50013867	5	ChEMBL_143715 (CHEMBL753466)	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]nicotine as radioligand
50013867	1	ChEBML_144181	Binding affinity towards Nicotinic acetylcholine receptor alpha-7 using [3H]-MLA as radioligand
50013867	4	ChEMBL_143248 (CHEMBL752536)	Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]epibatidine as radioligand
50013868	1	ChEBML_208264	Inhibitory activity against translocase I
50044838	6	ChEMBL_1440124 (CHEMBL3382537)	Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044838	7	ChEMBL_1440125 (CHEMBL3382538)	Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins
50044839	1	ChEMBL_1440135 (CHEMBL3382548)	Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization
50044839	2	ChEMBL_1440170 (CHEMBL3383169)	Antagonist activity against FFA2 receptor in human whole blood assessed as inhibition of sodium acetate-induced CD11b[AE] expression by flow cytometry
50013877	2	ChEMBL_143843 (CHEMBL747054)	Binding affinity against SMS-KAN cell membranes endogenously expressing Neuropeptide Y receptor type 2 using [125I]PYY as radioligand
50044840	1	ChEMBL_1440171 (CHEMBL3383170)	Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method
50013879	1	ChEBML_212010	Inhibitory concentration required against tubulin polymerization determined using tubulin assay
50013880	1	ChEBML_210874	In vitro inhibitory concentration required against Tyrosine phosphatase SHP-2 in the presence of 300 nM DTT
50013880	2	ChEBML_96622	In vitro inhibitory concentration required against Leukocyte antigen related receptor phosphatase (LAR) in the presence of 300 nM DTT
50013880	5	ChEBML_162605	In vitro inhibitory concentration required against Protein-tyrosine phosphatase alpha in the presence of 300 nM DTT
50013882	2	ChEBML_161761	Inhibitory concentration required against protein phosphatase 1 using pNPP assay
50013882	1	ChEBML_161938	Inhibitory concentration required against protein phosphatase 2A using pNPP assay
50013883	5	ChEMBL_161788 (CHEMBL768162)	Inhibitory concentration against protein phosphatase 2A (PP2A) using phosphorylase-a assay
50013883	2	ChEBML_161787	Inhibitory concentration against protein phosphatase 2A (PP2A) using pNPP assay
50013883	6	ChEMBL_161756 (CHEMBL767317)	Inhibitory concentration against protein phosphatase 1 (PP1) using pNPP assay
50013885	4	ChEBML_60203	Binding affinity towards cloned human Dopamine receptor D2 was determined
50013885	6	ChEBML_909	Binding affinity towards cloned human 5-hydroxytryptamine 1A receptor was determined
50013885	2	ChEBML_61005	Agonistic activity against human Dopamine receptor D4.2 using [35S]GTP-gamma-S binding assay
50013885	7	ChEMBL_61005 (CHEMBL675196)	Agonistic activity against human Dopamine receptor D4.2 using [35S]GTP-gamma-S binding assay
50013885	8	ChEBML_62141	Binding affinity towards cloned human Dopamine receptor D3 was determined
50013885	1	ChEBML_58959	Binding affinity towards cloned human Dopamine receptor D5 was determined
50013885	5	ChEBML_60493	Binding affinity towards Dopamine receptor D1 was determined
50044841	1	ChEMBL_1440941 (CHEMBL3375791)	Inhibition of human PDE4B1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting
50044841	2	ChEMBL_1440940 (CHEMBL3375790)	Inhibition of human PDE7A1 expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting
50044842	1	ChEMBL_1440949 (CHEMBL3375799)	Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening
50044842	2	ChEMBL_1440954 (CHEMBL3375804)	Inhibition of Aurora B (unknown origin)
50044842	3	ChEMBL_1440957 (CHEMBL3375807)	Inhibition of KDR (unknown origin)
50044842	4	ChEMBL_1440958 (CHEMBL3375808)	Inhibition of CDK2 (unknown origin)
50044842	5	ChEMBL_1440959 (CHEMBL3375809)	Inhibition of Jak2 (unknown origin)
50044842	6	ChEMBL_1440960 (CHEMBL3375810)	Inhibition of Tyk2 (unknown origin)
50044842	7	ChEMBL_1440951 (CHEMBL3375801)	Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical screening
50044842	8	ChEMBL_1440950 (CHEMBL3375800)	Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening
50044842	9	ChEMBL_1440975 (CHEMBL3375825)	Inhibition of EGFR L858R mutant (unknown origin) by high-throughput biochemical screening
50044842	10	ChEMBL_1440976 (CHEMBL3375826)	Inhibition of EGFR del746 to 750 mutant (unknown origin) by high-throughput biochemical screening
50044843	1	ChEMBL_1440978 (CHEMBL3375828)	Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay
50044844	1	ChEMBL_1441713 (CHEMBL3378284)	Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA
50044844	2	ChEMBL_1441711 (CHEMBL3378282)	Inhibition of PDHK3 (unknown origin)
50044844	3	ChEMBL_1441710 (CHEMBL3378281)	Inhibition of PDHK1 (unknown origin)
50044844	4	ChEMBL_1441723 (CHEMBL3378294)	Inhibition of recombinant PDHK2 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA
50044844	5	ChEMBL_1441724 (CHEMBL3378295)	Inhibition of recombinant PDHK3 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA
50044844	6	ChEMBL_1441725 (CHEMBL3378296)	Inhibition of recombinant PDHK4 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA
50044845	1	ChEMBL_1441757 (CHEMBL3378880)	Corrector activity at human bronchial epithelium CFTR F508del and G551D mutant assessed as increase in channel gating
50044845	2	ChEMBL_1441753 (CHEMBL3378876)	Corrector activity at CFTR mutant (unknown origin) by phenotypic screening assay
50044846	1	ChEMBL_1441758 (CHEMBL3378881)	Inhibition of human recombinant matriptase using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis
50044846	2	ChEMBL_1442547 (CHEMBL3371671)	Inhibition of human recombinant matriptase-2 using Boc-Gln-Ala-Arg-AMC as substrate by microplate reader analysis
50013891	7	ChEMBL_154186 (CHEMBL762735)	Cotransfection activity of compound against human Peroxisome proliferator activated receptor gamma was determined
50013891	6	ChEMBL_154210 (CHEMBL759455)	Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor gamma was determined
50013891	4	ChEMBL_153385 (CHEMBL760605)	Cotransfection activity against human Peroxisome proliferator activated receptor alpha
50013891	2	ChEMBL_153537 (CHEMBL765406)	Inhibitory activity against human Peroxisome proliferator activated receptor alpha
50013891	1	ChEMBL_154027 (CHEMBL759297)	Inhibitory activity of compound against the binding of human Peroxisome proliferator activated receptor delta was determined
50013891	5	ChEMBL_153718 (CHEMBL762046)	Cotransfection activity of compound against human Peroxisome proliferator activated receptor alpha was determined
50013891	3	ChEMBL_153860 (CHEMBL762589)	Cotransfection activity of compound against human Peroxisome proliferator activated receptor delta was determined
50013893	4	ChEMBL_46443 (CHEMBL657891)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with F3.36 (201)A mutant Cannabinoid receptor 1
50013893	3	ChEMBL_46442 (CHEMBL658387)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with F3.25 (190)A mutant Cannabinoid receptor 1
50013893	6	ChEMBL_46445 (CHEMBL657893)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with W6 48(357)A mutant Cannabinoid receptor 1
50013893	2	ChEMBL_46447 (CHEMBL657895)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with wild type Cannabinoid receptor 1
50013893	5	ChEMBL_46444 (CHEMBL657892)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with W5 43(280)A mutant Cannabinoid receptor 1 at 5 uM
50013893	1	ChEMBL_46446 (CHEMBL657894)	Ability to displace [3H]CP-55940 from the membranes prepared from HEK cell line with W6 48(357)A mutant in Cannabinoid receptor 1
50044847	1	ChEMBL_1442551 (CHEMBL3371675)	Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA
50044847	2	ChEMBL_1442553 (CHEMBL3372246)	Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay
50044847	3	ChEMBL_1442550 (CHEMBL3371674)	Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity
50044848	1	ChEMBL_1442589 (CHEMBL3372282)	Inhibition of JNK3 in human SH-SY5Y cells assessed as reduction in c-Jun phosphorylation by Western blot assay
50044848	2	ChEMBL_1442607 (CHEMBL3372842)	Inhibition of p38alpha (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay
50044848	3	ChEMBL_1442572 (CHEMBL3372265)	Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay
50044848	4	ChEMBL_1442573 (CHEMBL3372266)	Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay
50013898	2	ChEMBL_31766 (CHEMBL641360)	In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined
50013898	1	ChEMBL_31765 (CHEMBL641359)	In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined
50044848	5	ChEMBL_1442577 (CHEMBL3372270)	Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay
50044849	1	ChEMBL_1443392 (CHEMBL3375970)	Inhibition of human alpha7 nAChR expressed in Xenopus oocytes assessed as inhibition of Ach-evoked current after 5 mins by voltage-clamp technique
50044850	1	ChEMBL_1431732 (CHEMBL3383840)	Inhibition of CYP1A2 (unknown origin)
50044850	2	ChEMBL_1431733 (CHEMBL3383841)	Inhibition of CYP2C9 (unknown origin)
50044850	3	ChEMBL_1431734 (CHEMBL3383842)	Inhibition of CYP2C19 (unknown origin)
50044850	4	ChEMBL_1431735 (CHEMBL3383843)	Inhibition of CYP2D6 (unknown origin)
50044850	5	ChEMBL_1431736 (CHEMBL3383844)	Inhibition of CYP3A4 (unknown origin)
50044851	1	ChEMBL_1443464 (CHEMBL3377178)	Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis
50013901	1	ChEMBL_31127 (CHEMBL643555)	Inhibition adenosine kinase activity in rat brain in vitro
50013901	2	ChEMBL_31115 (CHEMBL642226)	Inhibition of adenosine kinase activity in IMR-32 human neuroblastoma cells
50044851	2	ChEMBL_1443463 (CHEMBL3377177)	Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically
50013912	1	ChEBML_200912	Protein binding affinity for human serum albumin was measured
50013914	1	ChEBML_75877	Inhibitory concentration against Escherichia coli by Escherichia coli DNA gyrase gel-based supercoil assay
50013915	2	ChEMBL_50465 (CHEMBL657999)	Inhibitory activity against DNA gyrase enzyme was determined by supercoiling assay with Escherichia coli DNA gyrase
50013919	1	ChEMBL_68418 (CHEMBL680334)	Tested for inhibitory activity against gamma-aminobutyric acid aminotransferase from pig brain
50013920	4	ChEMBL_45620 (CHEMBL655431)	In vitro inhibition of Carboxypeptidase A (CPA) was determined by clot lysis assay using human plasma
50013920	1	ChEMBL_45790 (CHEMBL660086)	In vitro inhibition of purified Carboxypeptidase M (CPM) by clot lysis assay in human plasma
50044851	3	ChEMBL_1443465 (CHEMBL3377179)	Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis
50044851	4	ChEMBL_1443466 (CHEMBL3377180)	Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate
50044851	5	ChEMBL_1443468 (CHEMBL3377182)	Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate by spectrophotometric analysis
50044851	6	ChEMBL_1443469 (CHEMBL3377183)	Inhibition of human coagulation factor 9a by spectrophotometric analysis
50044851	7	ChEMBL_1443470 (CHEMBL3377184)	Inhibition of human coagulation thrombin using pyro-Glu-Pro-Argp-NA as substrate by spectrophotometric analysis
50044851	8	ChEMBL_1431772 (CHEMBL3384452)	Inhibition of human coagulation trypsin using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis
50044851	9	ChEMBL_1431775 (CHEMBL3384455)	Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis at 37 degC by spectrophotometrically
50044851	10	ChEMBL_1431778 (CHEMBL3385074)	Inhibition of rabbit coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis
50044851	11	ChEMBL_1431780 (CHEMBL3385076)	Inhibition of rabbit coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis
50044852	1	ChEMBL_1431795 (CHEMBL3385091)	Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay
50044852	2	ChEMBL_1431796 (CHEMBL3385092)	Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay
50044853	1	ChEMBL_1431798 (CHEMBL3385094)	Inhibition of IDH1 R132H mutant (unknown origin) using a-ketoglutarate as substrate by fluorescence biochemical assay
50044853	2	ChEMBL_1431797 (CHEMBL3385093)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as inhibition of [3C]2-hydroxyglutarate formation after 45 mins by LC-MS biochemical assay
50044854	1	ChEMBL_1431799 (CHEMBL3385095)	Agonist activity at human LXRbeta expressed in CV1 cells after 20 hrs by luciferase reporter co-transfection assay
50044855	1	ChEMBL_1431801 (CHEMBL3385097)	Agonist activity at human oxytocin receptor expressed CHO cells assessed as calcium flux by FLIPR method
50044856	1	ChEMBL_1431805 (CHEMBL3385101)	Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay
50044856	2	ChEMBL_1431806 (CHEMBL3385102)	Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625-735 aa) (unknown origin) expressed in HEK293 cells co-transfected with histone H3.3-HaloTag after 18 hrs by NanoBRET assay
50044856	3	ChEMBL_1431809 (CHEMBL3385105)	Binding affinity to 6-His-tagged-BRD4 (1 to 477 aa) Y97A mutant (unknown origin) by TR-FRET competitive assay
50044856	4	ChEMBL_1431810 (CHEMBL3385106)	Binding affinity to 6H-Flag-tagged Tev-BRPF2 (551-673 aa) (unknown origin) by TR-FRET competitive assay
50044856	5	ChEMBL_1431811 (CHEMBL3385107)	Binding affinity to 6H-Flag-tagged Tev-BRPF3 (579-706 aa) (unknown origin) by TR-FRET competitive assay
50044856	6	ChEMBL_1431804 (CHEMBL3385100)	Binding affinity to 6His-tagged-BRD4 BD1 Y390A mutant (1 to 477 aa) (unknown origin) by TR-FRET competitive assay
50044857	1	ChEMBL_1432660 (CHEMBL3389375)	Displacement of [3H]epibatidine from rat forebrain alpha7 nAChR by competition binding assay
50013922	2	ChEMBL_30119 (CHEMBL640476)	Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay
50013922	1	ChEMBL_214633 (CHEMBL819713)	Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3)
50044858	1	ChEMBL_1432690 (CHEMBL3389934)	Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay
50044858	2	ChEMBL_1432691 (CHEMBL3389935)	Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay
50044858	3	ChEMBL_1432692 (CHEMBL3389936)	Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay
50013926	1	ChEMBL_158779 (CHEMBL772935)	Binding constant against hepatitis C virus (HCV) protease
50013928	12	ChEMBL_216826 (CHEMBL816405)	Inhibition of c-Jun N-terminal kinase 1-beta 1
50013928	13	ChEMBL_214107 (CHEMBL820693)	Inhibition of human Vascular endothelial growth factor receptor 2
50013928	9	ChEMBL_198183 (CHEMBL798941)	Inhibition of Serine/threonine-protein kinase Chk2 (CDS1 receptor)
50013928	4	ChEMBL_210901 (CHEMBL814633)	Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor
50013928	14	ChEMBL_214107 (CHEMBL820693)	Inhibition of human Vascular endothelial growth factor receptor 2
50013928	7	ChEMBL_210884 (CHEMBL814616)	Inhibition of Tyrosine protein kinase receptor TIE-2
50013928	11	ChEMBL_70618 (CHEMBL678674)	Inhibition of Fibroblast growth factor receptor 1
50013928	8	ChEMBL_213964 (CHEMBL811941)	Inhibition of Vascular endothelial growth factor receptor 1
50044858	4	ChEMBL_1432699 (CHEMBL3389943)	Inhibition of HGFA in human MDA-MB-231 cells assessed as inhibition of c-MET phosphorylation after 15 mins by immunoblotting
50013928	5	ChEMBL_211956 (CHEMBL816545)	Inhibition of TrkA receptor
50013928	2	ChEMBL_160989 (CHEMBL857417)	Inhibition of Proto-oncogene tyrosine-protein kinase Kit
50013928	15	ChEMBL_158657 (CHEMBL763443)	Inhibition of Platelet-derived growth factor receptor beta
50013928	1	ChEMBL_124488 (CHEMBL734091)	Inhibition of Mitogen-activated protein kinase p38 alpha
50013931	5	ChEMBL_51903 (CHEMBL666009)	Concentration required to inhibit cytochrome P450 3A4.
50013931	2	ChEMBL_51717 (CHEMBL663532)	Concentration required to inhibit cytochrome P450 2D6.
50013931	3	ChEMBL_51203 (CHEMBL664322)	Inhibition of cytochrome P450 CYP2C19
50013931	1	ChEMBL_51532 (CHEMBL660392)	Concentration required to inhibit cytochrome P450 2C9.
50013931	4	ChEMBL_51358 (CHEMBL666159)	Concentration required to inhibit cytochrome P450 1A2.
50044859	1	ChEMBL_1432711 (CHEMBL3390515)	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay
50044859	2	ChEMBL_1432710 (CHEMBL3389954)	Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay
50013936	3	ChEMBL_45234 (CHEMBL657192)	Inhibitory activity against human carbonic anhydrase II.
50013936	2	ChEMBL_45447 (CHEMBL657971)	Inhibitory activity against human carbonic anhydrase IX.
50013936	1	ChEMBL_47524 (CHEMBL657832)	Inhibitory activity against human carbonic anhydrase I.
50013938	4	ChEMBL_157999 (CHEMBL766672)	Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood
50013938	10	ChEMBL_157999 (CHEMBL766672)	Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood
50013938	6	ChEMBL_159734 (CHEMBL766191)	Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2) by enzyme Assay
50044860	1	ChEMBL_1433562 (CHEMBL3383964)	Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay
50044860	2	ChEMBL_1433564 (CHEMBL3383966)	Antagonist activity at human TLR8 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay
50044860	3	ChEMBL_1433563 (CHEMBL3383965)	Antagonist activity at human TLR7 transfected in HEK293 cells assessed as hydrolysis of pNPP after 24 hrs by SEAP reporter assay
50044861	1	ChEMBL_1433601 (CHEMBL3384570)	Inhibition of human D-amino acid oxidase
50044862	1	ChEMBL_1433603 (CHEMBL3384572)	Inhibition of mouse COX-2 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
50044862	2	ChEMBL_1433602 (CHEMBL3384571)	Inhibition of ovine COX-1 assessed as inhibition of [14C]arachidonic acid to radiolabeled prostaglandins preincubated for 15 mins by TLC-based assay
50044863	1	ChEMBL_1434293 (CHEMBL3385838)	Inhibition of CYP2C19 in human hepatic microsomes after 20 mins by LC/MS/MS method
50044863	2	ChEMBL_1434292 (CHEMBL3385837)	Inhibition of CYP1A2 in human hepatic microsomes after 20 mins by LC/MS/MS method
50044863	3	ChEMBL_1434291 (CHEMBL3385836)	Inhibition of CYP2C9 in human hepatic microsomes after 20 mins by LC/MS/MS method
50044863	4	ChEMBL_1434290 (CHEMBL3385835)	Inhibition of CYP2D6 in human hepatic microsomes after 20 mins by LC/MS/MS method
50044863	5	ChEMBL_1434289 (CHEMBL3385834)	Inhibition of CYP3A4 in human hepatic microsomes after 20 mins by LC/MS/MS method
50044863	6	ChEMBL_1434283 (CHEMBL3385828)	Inhibition of wild type SRC (unknown origin) incubated for 5 mins by HTRF assay
50044863	7	ChEMBL_1434282 (CHEMBL3385827)	Inhibition of wild type ABL (unknown origin) incubated for 5 mins by HTRF assay
50044863	8	ChEMBL_1434281 (CHEMBL3385826)	Inhibition of wild type FLT3 (unknown origin) incubated for 5 mins by HTRF assay
50044863	9	ChEMBL_1434280 (CHEMBL3385825)	Inhibition of wild type FGFR2 (unknown origin) incubated for 5 mins by HTRF assay
50044863	10	ChEMBL_1434279 (CHEMBL3385824)	Inhibition of wild type c-Met (unknown origin) incubated for 5 mins by HTRF assay
50044863	11	ChEMBL_1433625 (CHEMBL3385204)	Inhibition of wild type AKT2 (unknown origin) incubated for 5 mins by HTRF assay
50044863	12	ChEMBL_1433624 (CHEMBL3385203)	Inhibition of wild type AKT1 (unknown origin) incubated for 5 mins by HTRF assay
50044863	13	ChEMBL_1433623 (CHEMBL3385202)	Inhibition of wild type ALK (unknown origin) incubated for 5 mins by HTRF assay
50044863	14	ChEMBL_1433622 (CHEMBL3385201)	Inhibition of wild type SYK (unknown origin) incubated for 5 mins by HTRF assay
50044863	15	ChEMBL_1433621 (CHEMBL3385200)	Inhibition of wild type JAK2 (unknown origin) incubated for 5 mins by HTRF assay
50044863	16	ChEMBL_1433620 (CHEMBL3385199)	Inhibition of wild type PDGFRbeta (unknown origin) incubated for 5 mins by HTRF assay
50044863	17	ChEMBL_1433619 (CHEMBL3385198)	Inhibition of wild type PDGFRalpha (unknown origin) incubated for 5 mins by HTRF assay
50044863	18	ChEMBL_1433616 (CHEMBL3385195)	Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay
50044863	19	ChEMBL_1433615 (CHEMBL3385194)	Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay
50044863	20	ChEMBL_1433618 (CHEMBL3385197)	Inhibition of wild type HER4 (unknown origin) incubated for 5 mins by HTRF assay
50044863	21	ChEMBL_1433617 (CHEMBL3385196)	Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay
50044864	1	ChEMBL_1434317 (CHEMBL3386421)	Inhibition of purified recombinant human BACE1 expressed in CHO cells assessed as uncleaved biotinylated sAPP after 2 hrs by HTRF assay
50044864	2	ChEMBL_1434318 (CHEMBL3386422)	Inhibition of cathepsin D purified from human spleen after 1 hr by FRET assay
50044864	3	ChEMBL_1434320 (CHEMBL3386424)	Inhibition of BACE1 in HEK293 cells expressing swedish double mutant APP assessed as amyloid beta (1 to 40) peptide level after 7 hrs by HTRF assay
50044865	1	ChEMBL_1435039 (CHEMBL3387685)	Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay
50044865	2	ChEMBL_1435042 (CHEMBL3387688)	Inhibition of human N-myristoyltransferase 2 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-amide by scintillation proximity assay
50044865	3	ChEMBL_1435055 (CHEMBL3387701)	Inhibition of human ERG
50044866	1	ChEMBL_1435072 (CHEMBL3388289)	Inhibition of Plasmodium falciparum FP2 using Z-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by fluorescence assay
50044866	2	ChEMBL_1435070 (CHEMBL3388287)	Inhibition of FP2' in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis
50044866	3	ChEMBL_1435069 (CHEMBL3388286)	Inhibition of FP2 in Plasmodium falciparum trophozoite stage after 1 hr by SDS-PAGE analysis
50044867	1	ChEMBL_1435752 (CHEMBL3388944)	Inhibition of recombinant F13a (unknown origin) using H-Tyr-Glu(pNA)-Val-Lys-Val-Ile-Gly-NH2 as substrate by chromogenic assay
50044867	2	ChEMBL_1435757 (CHEMBL3388949)	Binding affinity to recombinant F13A (unknown origin) by microscale thermophoresis method
50044868	1	ChEMBL_1435763 (CHEMBL3388955)	Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs
50044868	2	ChEMBL_1435764 (CHEMBL3388956)	Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs
50044868	3	ChEMBL_1435765 (CHEMBL3388957)	Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs
50044868	4	ChEMBL_1435758 (CHEMBL3388950)	Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay
50044868	5	ChEMBL_1435759 (CHEMBL3388951)	Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay
50044868	6	ChEMBL_1435760 (CHEMBL3388952)	Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma
50044868	7	ChEMBL_1435761 (CHEMBL3388953)	Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs
50044868	8	ChEMBL_1435762 (CHEMBL3388954)	Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs
50044869	1	ChEMBL_1435796 (CHEMBL3389551)	Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in enzyme activity
50044869	2	ChEMBL_1435797 (CHEMBL3389552)	Inhibition of wild type HIV1 reverse transcriptase K103N mutant assessed as reduction in enzyme activity
50044869	3	ChEMBL_1435798 (CHEMBL3389553)	Inhibition of wild type HIV1 reverse transcriptase Y181I/Y181C mutant assessed as reduction in enzyme activity
50044869	4	ChEMBL_1435799 (CHEMBL3389554)	Inhibition of wild type HIV1 reverse transcriptase L100I mutant assessed as reduction in enzyme activity
50044869	5	ChEMBL_1435800 (CHEMBL3389555)	Inhibition of wild type HIV1 reverse transcriptase V106A mutant assessed as reduction in enzyme activity
50013942	1	ChEMBL_66889 (CHEMBL675513)	Inhibition of epidermal growth factor receptor tyrosine kinase (EGFR TK)
50013945	1	ChEBML_158014	In vitro Prostacyclin (PGI-2) receptor binding assay was determined based on displacement of [3H]iloprost radioligand from cloned human IP receptor
50013946	2	ChEBML_67036	Binding affinity against human estrogen receptor alpha
50013946	1	ChEBML_67201	Binding affinity against human estrogen receptor beta
50013948	1	ChEBML_104560	Inhibition of matrix metalloprotease-2 (MMP-2)
50013948	5	ChEBML_212589	Inhibition of porcine TACE
50013948	4	ChEBML_106438	Inhibition of matrix metalloprotease-1 (MMP-1)
50013948	2	ChEMBL_212589 (CHEMBL811891)	Inhibition of porcine TACE
50044869	6	ChEMBL_1435801 (CHEMBL3389556)	Inhibition of wild type HIV1 reverse transcriptase Y181I mutant assessed as reduction in enzyme activity
50013949	1	ChEBML_104561	Inhibitory activity against matrix metalloprotease-2 (MMP-2)
50013949	3	ChEBML_212585	In vitro binding affinity against porcine TACE
50013949	2	ChEBML_106439	Inhibitory activity against matrix metalloprotease-1 (MMP-1)
50044870	1	ChEMBL_1436462 (CHEMBL3390777)	Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by spectrophotometric assay
50044871	1	ChEMBL_1436466 (CHEMBL3390781)	Binding affinity to full-length His-tagged STAT3 (unknown origin) by surface plasmon resonance assay
50044871	2	ChEMBL_1436465 (CHEMBL3390780)	Binding affinity to full-length His-tagged STAT5B (unknown origin) by surface plasmon resonance assay
50044871	3	ChEMBL_1436464 (CHEMBL3390779)	Inhibition of STAT3 (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay
50044871	4	ChEMBL_1436463 (CHEMBL3390778)	Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay
50044872	1	ChEMBL_1436493 (CHEMBL3381675)	Binding affinity to Pseudomonas aeruginosa LecA by ITC method
50044873	1	ChEMBL_1437210 (CHEMBL3382984)	Inhibition of ERG channel in HEK293 cells by whole cell patch clamp technique
50044873	2	ChEMBL_1437207 (CHEMBL3382981)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counting analysis
50013958	3	ChEMBL_106329 (CHEMBL873365)	Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors
50044874	1	ChEMBL_1438677 (CHEMBL3387921)	Inhibition of human recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay
50013961	2	ChEMBL_208097 (CHEMBL814453)	Inhibition of Transforming growth factor beta-1 receptor (TbetaRI)
50013961	4	ChEMBL_208098 (CHEMBL814454)	Inhibition of Transforming growth factor beta-1 receptor (TbetaRI) autophosphorylation
50044874	2	ChEMBL_1438678 (CHEMBL3387922)	Inhibition of human recombinant ACC2 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay
50013962	1	ChEBML_70121	Inhibition of [3H]FPP incorporation into biotinylated lamin B peptide by farnesyl transferase
50044874	3	ChEMBL_1438679 (CHEMBL3387923)	Inhibition of rat recombinant ACC1 assessed as incorporation of [14C]bicarbonate into [14C]malonyl-CoA by radiometric assay
50044874	4	ChEMBL_1437941 (CHEMBL3385491)	Inhibition of human ERG channel by patch-clamp assay
50044874	5	ChEMBL_1437940 (CHEMBL3385490)	Inhibition of human recombinant ACC2 after 1 hr by transcreener assay
50013966	2	ChEBML_105102	Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.
50013966	1	ChEBML_105266	Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells
50013967	2	ChEBML_99041	Inhibitory concentration against recombinant human liver glycogen phosphorylase a (HLGPa)
50013967	1	ChEBML_70995	Inhibitory concentration against recombinant human muscle glycogen phosphorylase a (HMGPa)
50013971	3	ChEMBL_71983 (CHEMBL683535)	In vitro inhibition of Geranylgeranyl protein transferase I
50013971	2	ChEBML_70123	In vitro inhibition of farnesyl protein transferase
50013972	1	ChEBML_1724	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)
50013972	2	ChEMBL_1673 (CHEMBL616664)	Ability to inhibit forskolin-stimulated adenylate cyclase activity in Chinese hamster ovary (CHO) stable cell lines expressing human 5-hydroxytryptamine 1D receptor
50044874	6	ChEMBL_1437939 (CHEMBL3385489)	Inhibition of human recombinant ACC1 after 1 hr by transcreener assay
50044875	1	ChEMBL_1438697 (CHEMBL3388519)	Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay
50044875	2	ChEMBL_1438707 (CHEMBL3388529)	Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of GLP1
50044875	3	ChEMBL_1438709 (CHEMBL3388531)	Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of exenatide
50044875	4	ChEMBL_1438711 (CHEMBL3388533)	Positive allosteric modulation of human recombinant GLP1 receptor expressed in 9-3-H cells by calcium mobilization assay in presence of EC20 of liragulitide
50044875	5	ChEMBL_1438701 (CHEMBL3388523)	Inhibition of CYP1A2 (unknown origin)
50044875	6	ChEMBL_1438702 (CHEMBL3388524)	Inhibition of CYP2C9 (unknown origin)
50044875	7	ChEMBL_1438703 (CHEMBL3388525)	Inhibition of CYP2D6 (unknown origin)
50044875	8	ChEMBL_1438704 (CHEMBL3388526)	Inhibition of CYP3A4 (unknown origin)
50013974	13	ChEBML_1348	Binding affinity towards 5-hydroxytryptamine 1B receptor
50013974	32	ChEBML_33616	Binding affinity towards Alpha-1A adrenergic receptor
50013974	18	ChEBML_34337	Binding affinity towards Alpha-1B adrenergic receptor
50013974	3	ChEBML_3583	Binding affinity towards 5-HT5A receptor
50044876	2	ChEMBL_1438728 (CHEMBL3388550)	Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assay
50013974	31	ChEBML_2828	Binding affinity towards cloned rat 5-hydroxytryptamine 2C receptor from fundus tissue by [3H]mesulergine displacement.
50013974	26	ChEBML_3692	Binding affinity towards 5-hydroxytryptamine 7 receptor
50013974	25	ChEMBL_2639 (CHEMBL618694)	Binding affinity towards cloned rat 5-hydroxytryptamine 2A receptor from fundus tissue was determined using [3H]mesulergine as radioligand
50013974	5	ChEBML_201372	Binding affinity towards Serotonin transporter
50013974	33	ChEBML_142610	Binding affinity towards NET
50013974	9	ChEBML_925	Binding affinity towards 5-hydroxytryptamine 1A receptor
50013974	14	ChEBML_33529	Binding affinity towards Alpha-2C adrenergic receptor
50013974	29	ChEBML_37698	Binding affinity towards Beta-1A adrenergic receptor
50013974	30	ChEBML_1717	Binding affinity towards 5-hydroxytryptamine 1D receptor
50013974	27	ChEBML_33070	Binding affinity towards alpha-2A-Adrenergic receptor
50013974	16	ChEBML_61491	Binding affinity towards DAT (bovine)
50013974	24	ChEBML_2716	Binding affinity towards 5-hydroxytryptamine 2C receptor
50013974	17	ChEBML_3618	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50013974	4	ChEBML_2637	Binding affinity towards 5-hydroxytryptamine 2A receptor
50044877	1	ChEMBL_1439477 (CHEMBL3381254)	Inhibition of CYP2D6 (unknown origin)
50044877	2	ChEMBL_1439476 (CHEMBL3381253)	Inhibition of CYP2C19 (unknown origin)
50044877	3	ChEMBL_1439475 (CHEMBL3381252)	Inhibition of CYP2C9 (unknown origin)
50044877	4	ChEMBL_1439474 (CHEMBL3381251)	Inhibition of CYP1A2 (unknown origin)
50044877	5	ChEMBL_1439470 (CHEMBL3381247)	Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins
50044877	6	ChEMBL_1439469 (CHEMBL3381246)	Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
50044878	1	ChEMBL_1440216 (CHEMBL3383761)	Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50013983	2	ChEBML_211949	Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.
50044878	2	ChEMBL_1440217 (CHEMBL3383762)	Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50013985	2	ChEMBL_201365 (CHEMBL805348)	Ability to inhibit the reuptake of 5-HT at human serotonin transporter
50013985	5	ChEBML_201368	Binding affinity to serotonin transporter, using [3H]citalopram as radioligand
50013985	1	ChEBML_142612	Inhibition of [3H]nisoxetine binding to norepinephrine (NE) transporter
50013985	4	ChEMBL_142609 (CHEMBL751148)	Ability to inhibit the reuptake of NE at human norepinephrine transporter
50013985	3	ChEBML_61651	Ability to inhibit the reuptake of dopamine at human dopamine transporter
50013988	2	ChEBML_147798	Inhibitory concentration against human orexin-2 receptor (hOX2R)
50013988	1	ChEBML_147674	Inhibitory concentration against human orexin-1 receptor (hOX1R)
50013989	6	ChEMBL_99664 (CHEMBL704430)	Inhibitory concentration against LTB4 receptor determined in human neutrophils PMN assay
50044878	3	ChEMBL_1440219 (CHEMBL3383764)	Inhibition of PDE5A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044878	4	ChEMBL_1440220 (CHEMBL3383765)	Inhibition of PDE7A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044878	5	ChEMBL_1440221 (CHEMBL3383766)	Inhibition of PDE8A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044878	6	ChEMBL_1440222 (CHEMBL3383767)	Inhibition of PDE10A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044878	7	ChEMBL_1440223 (CHEMBL3383768)	Inhibition of PDE2A3 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044878	8	ChEMBL_1440224 (CHEMBL3383769)	Inhibition of PDE3A catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50044879	1	ChEMBL_1441013 (CHEMBL3376443)	Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay
50013993	6	ChEMBL_69794 (CHEMBL678742)	In vitro binding affinity for human GABA-A receptor alpha-4-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50013993	2	ChEMBL_69798 (CHEMBL678746)	In vitro binding affinity for human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50013993	4	ChEMBL_69811 (CHEMBL677846)	In vitro binding affinity for human GABA-A receptor alpha-6-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50013993	5	ChEMBL_68716 (CHEMBL682646)	In vitro binding affinity for human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50013993	3	ChEMBL_69639 (CHEMBL676827)	In vitro binding affinity for human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50013993	1	ChEMBL_69651 (CHEMBL681844)	In vitro binding affinity for human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cell membranes
50044880	1	ChEMBL_1441019 (CHEMBL3377015)	Transactivation of LXRbeta (unknown origin) expressed in CV1 cells by luciferase reporter gene assay
50044880	2	ChEMBL_1441018 (CHEMBL3377014)	Transactivation of LXRalpha (unknown origin) expressed in CV1 cells by luciferase reporter gene assay
50044881	1	ChEMBL_1441766 (CHEMBL3378889)	Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus
50044881	2	ChEMBL_1441767 (CHEMBL3378890)	Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex
50044881	3	ChEMBL_1441770 (CHEMBL3379420)	Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum
50044881	4	ChEMBL_1441769 (CHEMBL3378892)	Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells
50044881	5	ChEMBL_1441768 (CHEMBL3378891)	Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells
50044882	1	ChEMBL_1442648 (CHEMBL3373454)	Inhibition of human PI4K2alpha expressed in Escherichia coli BL21 after 60 mins by ADP-GloTM Kinase Assay
50044883	1	ChEMBL_1443506 (CHEMBL3377754)	Antagonist activity at CRTh2 (unknown origin) stably expressed in CHO.K1 cells co-mixing the compound and PGD2 by radio-labelled [35S]-GTPgammaS binding assay
50044883	2	ChEMBL_1443507 (CHEMBL3377755)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 15 mins by radio-labelled [35S]-GTPgammaS binding assay
50044883	3	ChEMBL_1443508 (CHEMBL3377756)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 30 mins by radio-labelled [35S]-GTPgammaS binding assay
50044883	4	ChEMBL_1443509 (CHEMBL3377757)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 60 mins by radio-labelled [35S]-GTPgammaS binding assay
50044883	5	ChEMBL_1443510 (CHEMBL3377758)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 120 mins by radio-labelled [35S]-GTPgammaS binding assay
50044883	6	ChEMBL_1443511 (CHEMBL3377759)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 180 mins by radio-labelled [35S]-GTPgammaS binding assay
50044883	7	ChEMBL_1443475 (CHEMBL3377189)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgammaS binding assay
50044883	8	ChEMBL_1443476 (CHEMBL3377190)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescence assay
50044883	9	ChEMBL_1443481 (CHEMBL3377195)	Antagonist activity at CRTh2 (unknown origin) stably expressed in CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgammaS binding assay in presence of 4% HSA
50044884	1	ChEMBL_1443512 (CHEMBL3377760)	Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding at 1 to 5 uM preincubated for 1 hr followed by 50 nM PGD2 and 0.1 nM [35S]-GTPgammaS addition measured after 2 hrs by liquid scintillation counting analysis relative to control
50044884	2	ChEMBL_1443513 (CHEMBL3377761)	Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change
50044885	1	ChEMBL_1431831 (CHEMBL3385688)	Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measured after 2 hrs by liquid scintillation counting analysis
50013997	5	ChEMBL_200694 (CHEMBL807104)	Binding affinity towards human somatostatin receptor type 3 using [125I][Leu8,D-Trp22,Tyr25]SRIF-28 as radioligand.
50013997	4	ChEMBL_200836 (CHEMBL807046)	Binding affinity towards human somatostatin receptor type 4 using [125I][Leu8,D-Trp22,Tyr25]SRIF-28 as radioligand.
50013997	3	ChEMBL_200537 (CHEMBL805041)	Binding affinity towards human somatostatin receptor type 1 using [125I][Leu8,D-Trp22,Tyr25]SRIF-28 as radioligand.
50013997	1	ChEMBL_200855 (CHEMBL807064)	Binding affinity towards human somatostatin receptor type 5 using [125I][Leu8,D-Trp22,Tyr25]SRIF-28 as radioligand.
50013997	2	ChEMBL_200674 (CHEMBL806165)	Binding affinity towards human somatostatin receptor type 2 using [125I][Leu8,D-Trp22,Tyr25]SRIF-28 as radioligand.
50013998	3	ChEMBL_200675 (CHEMBL807087)	Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand
50013998	4	ChEMBL_200538 (CHEMBL805042)	Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand
50013998	1	ChEMBL_200695 (CHEMBL807105)	Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand
50013998	2	ChEMBL_200856 (CHEMBL807065)	Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand
50013998	5	ChEMBL_200837 (CHEMBL807047)	Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu8,DTrp22,Tyr25]SRIF-28 as radioligand
50013999	1	ChEMBL_31909 (CHEMBL642953)	Inhibition of pig kidney aldose reductase (ALR2)
50044885	2	ChEMBL_1431832 (CHEMBL3385689)	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins with PGD2 addition measured after 4 mins by forward scatter and side scatter analysis
50014003	1	ChEMBL_103130 (CHEMBL712301)	Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)
50014004	2	ChEMBL_49306 (CHEMBL663405)	Inhibition of human Coagulation factor X was determined
50014004	1	ChEMBL_49307 (CHEMBL663406)	Inhibition of human Coagulation factor X was determined; Inactive
50044886	1	ChEMBL_1431841 (CHEMBL3385698)	Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgammaS binding assay
50044886	2	ChEMBL_1431842 (CHEMBL3385699)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescence assay
50044887	1	ChEMBL_1431880 (CHEMBL3386289)	Inhibition of purified trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry
50044887	2	ChEMBL_1431879 (CHEMBL3386288)	Inhibition of purified thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry
50044887	3	ChEMBL_1431878 (CHEMBL3386287)	Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry
50044888	1	ChEMBL_1432720 (CHEMBL3390524)	Inhibition of Dengue virus 2 NS2B/NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate preincubated for 30 mins before substrate addition by fluorescence assay
50044888	2	ChEMBL_1432721 (CHEMBL3390525)	Binding affinity to Dengue virus 2 NS2B/NS3 protease by SPR assay
50044889	1	ChEMBL_1432722 (CHEMBL3390526)	Inhibition of human full length CA1 by stopped flow CO2 hydration assay
50044889	2	ChEMBL_1432723 (CHEMBL3390527)	Inhibition of human full length CA2 by stopped flow CO2 hydration assay
50044889	3	ChEMBL_1432724 (CHEMBL3390528)	Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay
50044889	4	ChEMBL_1432725 (CHEMBL3390529)	Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay
50044890	1	ChEMBL_1432730 (CHEMBL3390534)	Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay
50014008	1	ChEMBL_213120 (CHEMBL818199)	In vitro inhibitory activity against Streptomyces coelicolor type II dehydroquinase.
50044891	1	ChEMBL_1432743 (CHEMBL3390547)	Inhibition of myeloperoxidase (unknown origin) assessed as reduction in enzymatic hypochlorous acid production by spectrophotometry based taurine chlorination assay
50014010	1	ChEMBL_217472 (CHEMBL819915)	Inhibition of alpha4-beta7 interaction to mucosal addressin cell adhesion molecule-1 (MAdCAM-1) was determined
50014010	2	ChEMBL_217305 (CHEMBL823926)	Inhibition of alpha4-beta1 interaction to vascular cell adhesion molecule-1 (VCAM-1) was determined
50014017	7	ChEMBL_90436 (CHEMBL697425)	In vitro inhibitory activity against human ionotropic glutamate receptor ionotropic kainate 1 (GluR-5) expressed in HEK293 cells.
50014017	5	ChEMBL_90299 (CHEMBL698779)	In vitro inhibitory activity against Ionotropic glutamate receptor AMPA 4 of HEK293 cells in FLIPR assay
50014017	3	ChEMBL_90454 (CHEMBL873092)	In vitro inhibitory activity against Ionotropic glutamate receptor ionotropic kainate 2 (GluR-6) of HEK293 cells in FLIPR assay
50014017	2	ChEMBL_90290 (CHEMBL697509)	In vitro inhibitory activity against Ionotropic glutamate receptor AMPA 3 of HEK293 cells in FLIPR assay
50014017	6	ChEMBL_90150 (CHEMBL696972)	In vitro inhibitory activity against Ionotropic glutamate receptor AMPA 2 of HEK293 cells in FLIPR assay
50014017	4	ChEMBL_90139 (CHEMBL701238)	In vitro inhibitory activity against Ionotropic glutamate receptor AMPA 1 of HEK293 cells in FLIPR assay
50014017	1	ChEMBL_90435 (CHEMBL697424)	Binding inhibition of compound against Ionotropic glutamate receptor ionotropic kainate 1 (GluR5) using [3H]ATPA as radioligand
50014022	2	ChEBML_88040	In vitro inhibitory activity against Holo-[acyl-carrier-protein] synthase was determined using Bacillus subtilis GST-Acp-HTRFassay
50014022	1	ChEMBL_88041 (CHEMBL695903)	In vitro inhibitory activity against acyl carrier protein synthase (AcpS) in Bacillus subtilis GST-Acp-HTRFassay
50044892	1	ChEMBL_1432745 (CHEMBL3390549)	Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting
50014024	1	ChEBML_106795	Inhibition of matrix metalloprotease-15 (MMP-15)
50014024	3	ChEBML_106301	Inhibition of matrix metalloprotease-1 (MMP-1)
50014024	6	ChEBML_104566	Inhibition of matrix metalloprotease-26 (MMP-26)
50014024	2	ChEBML_106462	Inhibition of matrix metalloprotease-12 (MMP-12)
50014024	5	ChEBML_106799	Inhibition of matrix metalloprotease-16 (MMP-16)
50014024	8	ChEBML_105059	Inhibition of matrix metalloprotease-7 (MMP-7)
50014024	7	ChEBML_104556	Inhibition of matrix metalloprotease-2 (MMP-2)
50044893	1	ChEMBL_1432749 (CHEMBL3381417)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50014025	1	ChEBML_52888	In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)
50044893	2	ChEMBL_1432756 (CHEMBL3381424)	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50044893	3	ChEMBL_1432757 (CHEMBL3381425)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50044893	4	ChEMBL_1432758 (CHEMBL3381426)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50044893	5	ChEMBL_1432752 (CHEMBL3381420)	Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50044893	6	ChEMBL_1432748 (CHEMBL3381416)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50044894	1	ChEMBL_1441830 (CHEMBL3380041)	Inhibition of human recombinant ADAM17 using Mca-PLAQAV-Dpa-RSSSR-NH2
50044894	2	ChEMBL_1441829 (CHEMBL3380040)	Inhibition of human recombinant MMP12 catalytic domain Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate
50044894	3	ChEMBL_1441828 (CHEMBL3380039)	Inhibition of human recombinant MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate
50014027	1	ChEBML_29	Inhibitory activity against 15-lipoxygenase was determined obtained from soya bean
50014029	1	ChEBML_34241	Compound tested for inhibition of alpha-galactosidase from Aspergillus niger
50014030	1	ChEBML_105139	Inhibitory activity against Methionine aminopeptidase 1
50014030	3	ChEBML_105144	Inhibitory activity against Methionine aminopeptidase 2
50044894	4	ChEMBL_1441827 (CHEMBL3380038)	Inhibition of human recombinant MMP2 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate
50044895	1	ChEMBL_1431952 (CHEMBL3387483)	Inhibition of purified PI3Kalpha (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	2	ChEMBL_1431953 (CHEMBL3387484)	Inhibition of purified mTOR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	3	ChEMBL_1431954 (CHEMBL3387485)	Inhibition of purified B-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	4	ChEMBL_1431955 (CHEMBL3387486)	Inhibition of purified C-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	5	ChEMBL_1431956 (CHEMBL3387487)	Inhibition of purified EGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	6	ChEMBL_1431957 (CHEMBL3387488)	Inhibition of purified VEGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	7	ChEMBL_1431958 (CHEMBL3387489)	Inhibition of purified PDGFRbeta (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	8	ChEMBL_1431959 (CHEMBL3387490)	Inhibition of purified FLT3 (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	9	ChEMBL_1431960 (CHEMBL3387491)	Inhibition of purified KIT (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044895	10	ChEMBL_1431961 (CHEMBL3387492)	Inhibition of purified KDR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay
50044896	1	ChEMBL_1432809 (CHEMBL3382073)	Binding affinity to androgen receptor (unknown origin)
50044896	2	ChEMBL_1432810 (CHEMBL3382074)	Inhibition of FGFR1 (unknown origin)
50044897	1	ChEMBL_1432831 (CHEMBL3382095)	Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay
50044897	2	ChEMBL_1433632 (CHEMBL3385211)	Potentiation of human CFTR F508del mutant in human bronchial epithelial cells by Ussing chambers recording technique
50044897	3	ChEMBL_1432843 (CHEMBL3382681)	Inhibition of CYP1A2 (unknown origin)
50044897	4	ChEMBL_1433626 (CHEMBL3385205)	Inhibition of CYP2C9 (unknown origin)
50044897	5	ChEMBL_1433627 (CHEMBL3385206)	Inhibition of CYP2C19 (unknown origin)
50044897	6	ChEMBL_1433628 (CHEMBL3385207)	Inhibition of CYP2E1 (unknown origin)
50044897	7	ChEMBL_1433629 (CHEMBL3385208)	Inhibition of CYP3A4 (unknown origin)
50044897	8	ChEMBL_1433630 (CHEMBL3385209)	Inhibition of CYP2D6 (unknown origin)
50044897	9	ChEMBL_1433631 (CHEMBL3385210)	Inhibition of human ERG
50044897	10	ChEMBL_1433633 (CHEMBL3385212)	Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique
50014032	1	ChEBML_48321	Inhibitory activity against recombinant human cathepsin K
50014032	4	ChEBML_47581	Inhibitory activity against recombinant human cathepsin B
50014032	2	ChEBML_48367	Inhibitory activity against recombinant human cathepsin L (1.2 nM)
50014034	2	ChEBML_159595	In vitro inhibitory activity against canine prostaglandin G/H synthase 2.
50044898	1	ChEMBL_1433672 (CHEMBL3385788)	Agonist activity at FFAR1 (unknown origin) assessed as increase in ERK1/2 MAP kinase phosphorylation
50044899	1	ChEMBL_1434365 (CHEMBL3387052)	Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidonic acid addition by fluorescence micro plate reader method
50044900	1	ChEMBL_1434379 (CHEMBL3387066)	Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide method
50044900	2	ChEMBL_1434376 (CHEMBL3387063)	Inhibition of PDE5 (unknown origin)
50044901	1	ChEMBL_1434383 (CHEMBL3387070)	Inhibition of Mycobacterium tuberculosis PknB
50044902	1	ChEMBL_1434388 (CHEMBL3387075)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
50044902	2	ChEMBL_1434385 (CHEMBL3387072)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50014038	3	ChEBML_164133	Inhibitory activity against polio virus RNA polymerase
50044902	3	ChEMBL_1434386 (CHEMBL3387073)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50014040	1	ChEBML_36350	Concentration to bind to human AhR-modied electrode
50014045	3	ChEMBL_2086 (CHEMBL616729)	In vitro binding affinity for human 5-hydroxytryptamine 1F receptor
50014047	1	ChEBML_202579	Inhibition of sodium dependent recovery of pH following imposed acidosis in AP1 cell line expressing the human NHE-1 isoform.
50044902	4	ChEMBL_1434387 (CHEMBL3387074)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
50014049	3	ChEBML_217598	Inhibitory activity against Yes tyrosine kinase
50014049	4	ChEBML_96912	Inhibitory activity against Lck tyrosine kinase
50014049	2	ChEBML_70625	Inhibitory activity against Fibroblast growth factor receptor 1
50014049	7	ChEBML_152452	Inhibitory activity against PDGFRbeta tyrosine kinase
50014049	8	ChEBML_214117	Inhibitory activity against Vascular endothelial growth factor receptor 2
50014049	1	ChEBML_69578	Inhibitory activity against Fyn tyrosine kinase
50014049	9	ChEMBL_202626 (CHEMBL805371)	Inhibitory activity against Src protein tyrosine kinase
50014050	1	ChEBML_201426	Inhibition of [3H](+)-pentazocine binding to Sigma opioid receptor of guiena pig brain membrane
50014050	4	ChEBML_62232	Binding affinity at dopamine receptor D2 on Sf9 cells by [125I]IABN displacement.
50014050	3	ChEBML_60669	Binding affinity for human dopamine receptor D4 using [125I]IABN as radioligand
50014050	2	ChEBML_62750	Binding affinity at dopamine receptor D3 on Sf9 cells by [125I]IABN displacement.
50044903	1	ChEMBL_1436531 (CHEMBL3382310)	Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry
50044905	1	ChEMBL_1438760 (CHEMBL3389155)	Inhibition of human recombinant COX2 in cell-free system by enzyme immunoassay
50044905	2	ChEMBL_1438764 (CHEMBL3389159)	Inhibition of COX1 (unknown origin)
50044906	1	ChEMBL_1439499 (CHEMBL3381843)	Inhibition of ChK1 in human HT-29 cells assessed as phospho-histone H3 by Isobologram assay
50014053	1	ChEBML_106180	Binding affinity towards human melanocortin 4 receptor was determined using [125I]-NDP-alpha-MSH as radioligand transfected in HEK293 human embryonic kidney cells
50044906	2	ChEMBL_1439498 (CHEMBL3381275)	Inhibition of recombinant ChK1 (unknown origin) using AKT substrate by AlphaScreen assay
50044907	1	ChEMBL_1441058 (CHEMBL3377580)	Inhibition of human thrombin using spectrozyme TH as substrate by spectrophotometric assay
50044907	2	ChEMBL_1441059 (CHEMBL3377581)	Inhibition of human factor 11a by spectrophotometric assay
50044907	3	ChEMBL_1441060 (CHEMBL3377582)	Inhibition of human factor 10a by spectrophotometric assay
50044908	1	ChEMBL_1441084 (CHEMBL3377606)	Inhibition of CYP1A2 (unknown origin)
50044908	2	ChEMBL_1441086 (CHEMBL3377608)	Inhibition of CYP2C8 (unknown origin)
50044908	3	ChEMBL_1441087 (CHEMBL3377609)	Inhibition of CYP2C9 (unknown origin)
50044908	4	ChEMBL_1441088 (CHEMBL3377610)	Inhibition of CYP2D6 (unknown origin)
50044908	5	ChEMBL_1441089 (CHEMBL3377611)	Inhibition of CYP3A4 (unknown origin)
50044908	6	ChEMBL_1441073 (CHEMBL3377595)	Inhibition of TYK2 (unknown origin) by caliper assay
50044908	7	ChEMBL_1441074 (CHEMBL3377596)	Inhibition of JAK2 (unknown origin) by caliper assay
50044908	8	ChEMBL_1441071 (CHEMBL3377593)	Inhibition of JAK3 (unknown origin) by filter assay
50044908	9	ChEMBL_1441072 (CHEMBL3377594)	Inhibition of JAK1 (unknown origin) bycaliper assay
50044909	1	ChEMBL_1442754 (CHEMBL3375276)	Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant
50044909	2	ChEMBL_1442755 (CHEMBL3375277)	Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant
50014061	8	ChEBML_49467	Inhibitory activity against Chymotrypsin
50014061	5	ChEBML_48523	Inhibitory activity against cathepsin L
50014061	7	ChEBML_48347	Inhibitory activity against cathepsin K
50014061	1	ChEBML_47629	Inhibitory activity against cathepsin B
50044909	3	ChEMBL_1442756 (CHEMBL3375278)	Reactivation of tabun-inhibited human acetylcholinesterase assessed as dissociation constant
50044909	4	ChEMBL_1442760 (CHEMBL3375282)	Inhibition of human acetylcholinesterase by Ellman's method
50014061	4	ChEMBL_49467 (CHEMBL657111)	Inhibitory activity against Chymotrypsin
50044910	1	ChEMBL_1442769 (CHEMBL3375291)	Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry
50044911	1	ChEMBL_1442780 (CHEMBL3375302)	Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis
50014063	1	ChEBML_212267	Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.
50044911	2	ChEMBL_1442781 (CHEMBL3375303)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50014065	1	ChEBML_45546	Inhibitory activity against recombinant human cathepsin K
50014067	1	ChEBML_87538	Ability to inhibit recombinant human histone deacetylase 1 (HDAC-1).
50024210	1	ChEMBL_504678 (CHEMBL989451)	Inhibition of Escherichia coli DNA primase after 1 hr by [3H]rNTPs incorporation assay
50044911	3	ChEMBL_1431071 (CHEMBL3383187)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50044911	4	ChEMBL_1431072 (CHEMBL3383188)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50044911	5	ChEMBL_1431073 (CHEMBL3383189)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50044911	6	ChEMBL_1431074 (CHEMBL3383190)	Inverse agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50044911	7	ChEMBL_1431075 (CHEMBL3383191)	Inverse agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50044911	8	ChEMBL_1431076 (CHEMBL3383192)	Inverse agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50014072	3	ChEBML_84513	Inhibitory concentration against herpes simplex virus helicase primase 8 (HSV)
50014072	4	ChEMBL_84985 (CHEMBL695719)	Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase
50014073	1	ChEBML_43862	Binding affinity against porcine erythrocyte calpain I was determined
50014075	1	ChEBML_215011	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla
50044911	9	ChEMBL_1431077 (CHEMBL3383193)	Inverse agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50014075	3	ChEBML_214714	Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells
50044912	2	ChEMBL_1431091 (CHEMBL3383207)	Inhibition of human recombinant farnesyltransferase using octyl-beta-D-glucopyranoside as substrate after 15 mins by fluorescence assay
50044904	2	ChEMBL_1436536 (CHEMBL3382315)	Inhibition of ovine COX1
50044904	1	ChEMBL_1436537 (CHEMBL3382316)	Inhibition of ovine COX2
50044914	1	ChEMBL_1436551 (CHEMBL3382931)	Inhibition of rat intestinal sucrase using sucrose substrate incubated for 10 mins
50044915	1	ChEMBL_1436559 (CHEMBL3382939)	Inhibition of human ERG by patch clam assay
50044915	2	ChEMBL_1436554 (CHEMBL3382934)	Displacement of europium-labeled urotensin-II from human urotensin-2 receptor expressed in HEK293 cells by TRF assay
50044916	1	ChEMBL_1437223 (CHEMBL3383563)	Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET assay
50044916	2	ChEMBL_1437225 (CHEMBL3383565)	Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET assay
50044916	3	ChEMBL_1437224 (CHEMBL3383564)	Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR-FRET assay in presence of F-bid
50044916	4	ChEMBL_1437222 (CHEMBL3383562)	Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 mins by TR-FRET assay
50044916	5	ChEMBL_1437221 (CHEMBL3382995)	Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence polarization assay
50044916	6	ChEMBL_1437220 (CHEMBL3382994)	Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence polarization assay
50044917	1	ChEMBL_1437226 (CHEMBL3383566)	Activity of human CFTR F508 deletion mutant expressed in FRT cells assessed as potentiation of genistein-induced iodine ion influx after 24 hrs by YFP-H148Q/I152L fluorescent quenching assay
50044918	1	ChEMBL_1437228 (CHEMBL3383568)	Displacement of [125I]CCL2 from CCR2 in human U2OS cell membranes by radioligand displacement assay
50044919	1	ChEMBL_1437257 (CHEMBL3384175)	Inhibition of AChE (unknown origin) by Ellman's method
50044920	1	ChEMBL_1437990 (CHEMBL3386655)	Inhibition of human 11beta-HSD1 in expressed in HEK293 cells microsomal fractions incubated with NADPH and [3H]-cortisone by scintillation proximity assay
50044920	2	ChEMBL_1437991 (CHEMBL3386656)	Inhibition of mouse 11beta-HSD1 in expressed in HEK293 cells microsomal fractions incubated with NADPH and [3H]-cortisone by scintillation proximity assay
50044921	1	ChEMBL_1438736 (CHEMBL3388558)	Inhibition of Eg5 (unknown origin)
50044922	1	ChEMBL_1431103 (CHEMBL3383219)	Inhibition of human recombinant PTP1B assessed as reduction in pNPP substrate hydrolysis incubated for 30 mins
50044923	1	ChEMBL_1431108 (CHEMBL3383777)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins by Ellman method
50044924	1	ChEMBL_1431995 (CHEMBL3388100)	Inhibition of full length GST-tagged human HDAC1 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	2	ChEMBL_1431996 (CHEMBL3388101)	Inhibition of full length C-terminal 6x-His tagged human HDAC2 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	3	ChEMBL_1431997 (CHEMBL3388102)	Inhibition of full length C-terminal 6x-His tagged human HDAC3 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	4	ChEMBL_1431998 (CHEMBL3388103)	Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hrs by fluorescence assay
50044924	5	ChEMBL_1431999 (CHEMBL3388104)	Inhibition of C-terminal 6x-His tagged human HDAC5 (657 to 1123 residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hrs by fluorescence assay
50044924	6	ChEMBL_1432000 (CHEMBL3388105)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) using fluorogenic acetyl-Lys(trifluoroacetyl)-AMC substrate incubated for 2 hrs by fluorescence assay
50044924	7	ChEMBL_1432001 (CHEMBL3388106)	Inhibition of full length C-terminal 6x-His tagged human HDAC8 using Arg-His-Lys(Ac)-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	8	ChEMBL_1432002 (CHEMBL3388107)	Inhibition of N-terminal GST-tagged human HDAC10 (1 to 481 residues) using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	9	ChEMBL_1432003 (CHEMBL3388108)	Inhibition of full length N-terminal GST-tagged human HDAC11 using Arg-His-Lys-Lys(Ac) substrate incubated for 2 hrs by fluorescence assay
50044924	10	ChEMBL_1431991 (CHEMBL3388096)	Inhibition of recombinant N-GST-tagged HDAC6 (unknown origin) assessed as reduction in deacetylation of Ac-Arg-Gly-Lys(Ac)-AMC substrate by fluorescence assay
50044924	11	ChEMBL_1431993 (CHEMBL3388098)	Inhibition of HDAC6 in human HeLa cells assessed as reduction in K40 hyperacetylation of alpha-tubulin incubated for 6 hrs by immunofluorescence assay
50044926	1	ChEMBL_1432854 (CHEMBL3382692)	Binding affinity to human ERG
50044926	2	ChEMBL_1432853 (CHEMBL3382691)	Inhibition of CYP2C19 (unknown origin)
50044926	3	ChEMBL_1432852 (CHEMBL3382690)	Inhibition of CYP2C9 (unknown origin)
50044926	4	ChEMBL_1432012 (CHEMBL3388117)	Inhibition of human gamma secretase assessed as reduction in Abeta42 level
50014080	6	ChEMBL_69823 (CHEMBL679572)	Inhibitory activity against Leishmania major Farnesyl diphosphate synthase
50014080	1	ChEMBL_69826 (CHEMBL679575)	Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP synthase)
50014082	1	ChEBML_154042	Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis
50014088	2	ChEMBL_140871 (CHEMBL752502)	Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinity) of rat cortical synaptic membranes by using [3H]Gly as radioligand
50044926	5	ChEMBL_1432851 (CHEMBL3382689)	Inhibition of CYP2D6 (unknown origin)
50044926	6	ChEMBL_1432849 (CHEMBL3382687)	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50044926	7	ChEMBL_1432845 (CHEMBL3382683)	Inhibition of CYP3A4 (unknown origin) using testosterone substrate
50044927	1	ChEMBL_1432884 (CHEMBL3383297)	Inhibition of AChE (unknown origin) assessed as inhibition of acetylcholine hydrolysis preincubated for 15 mins by Ellman method
50044928	1	ChEMBL_1432897 (CHEMBL3383310)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx
50044928	2	ChEMBL_1432898 (CHEMBL3383311)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx
50044928	3	ChEMBL_1432887 (CHEMBL3383300)	Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibition of menthol induced Ca2+ influx
50044928	5	ChEMBL_1432894 (CHEMBL3383307)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx
50014090	5	ChEBML_48621	Compound was tested for inhibition of human Coagulation factor X
50044928	6	ChEMBL_1432895 (CHEMBL3383308)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx
50014090	8	ChEBML_208050	Compound was tested for inhibition of human tissue type plasminogen activator
50044928	7	ChEMBL_1432896 (CHEMBL3383309)	Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of hypotonic solution-induced Ca2+ influx
50014090	6	ChEBML_155060	Compound was tested for inhibition of human plasmin
50014090	3	ChEBML_207966	Compound was tested for inhibition of human alpha-thrombin (FIIa)
50014090	2	ChEBML_27849	Compound was tested for inhibition of human activated protein C (APC)
50014090	1	ChEBML_213132	Compound was tested for inhibition of human urokinase-type plasminogen activator
50044929	1	ChEMBL_1433713 (CHEMBL3386384)	Binding affinity to human serum albumin after 30 mins by fluorescence spectroscopic analysis
50044913	5	ChEMBL_1433718 (CHEMBL3386389)	Inhibition of purified human BACE1 by FRET assay
50014090	7	ChEBML_212699	Compound was tested for inhibition of human trypsin
50044913	3	ChEMBL_1433720 (CHEMBL3386391)	Inhibition of BACE1-mediated amyloid beta 40 production in HEK293-APPswe/lon cells by whole cell assay
50044913	4	ChEMBL_1433719 (CHEMBL3386390)	Inhibition of cathepsin-D (unknown origin)
50014091	1	ChEBML_89345	Inhibition of inducible nitric oxide synthase (iNOS) in mice
50014091	2	ChEBML_143499	Inhibition of neuronal nitric oxide synthase (nNOS) in mice
50014092	1	ChEBML_72507	Inhibition of ghrelin binding to Growth hormone secretagogue receptor expressed in BHK cells
50014094	2	ChEMBL_29664 (CHEMBL636772)	Inhibition of ATP-ase activity in human colon tumor cell line (HCT116)
50014096	6	ChEBML_51540	Inhibition of cytochrome P450 2C9
50014096	2	ChEBML_51916	Inhibition of cytochrome P450 3A4
50014096	5	ChEBML_51364	Inhibition of cytochrome P450 1A2
50014096	3	ChEBML_51729	Inhibition of cytochrome P450 2D6
50014096	4	ChEBML_51522	Inhibition of cytochrome P450 2C19
50044913	2	ChEMBL_1433725 (CHEMBL3386396)	Inhibition of BACE1-mediated amyloid beta 40 production in HEK293-APPswe/lon cells by whole cell assay in presence of P-gp inhibitor
50044930	1	ChEMBL_1433727 (CHEMBL3386398)	Inhibition of dog lungs PDE5 using [3H]cGMP as substrate after 30 mins by scintillation counting analysis
50014099	1	ChEBML_124495	Inhibition of murine Mitogen-activated protein kinase p38 alpha
50044931	1	ChEMBL_1433748 (CHEMBL3387006)	Inhibition of recombinant CYP1A2 (unknown origin) after 10 mins by LC-MS/MS analysis
50044931	2	ChEMBL_1433749 (CHEMBL3387007)	Inhibition of recombinant CYP2D6 (unknown origin) after 20 mins by LC-MS/MS analysis
50044931	3	ChEMBL_1433750 (CHEMBL3387008)	Inhibition of recombinant CYP3A4 (unknown origin) after 3 mins by LC-MS/MS analysis
50044931	4	ChEMBL_1433751 (CHEMBL3387009)	Inhibition of recombinant CYP2C9 (unknown origin) after 10 mins by LC-MS/MS analysis
50044932	1	ChEMBL_1433752 (CHEMBL3387010)	Agonist activity at human GPR119 overexpressed in CHO cells assessed as increase in cellular cAMP production by HTRF method
50014103	6	ChEMBL_106012 (CHEMBL716368)	Inhibitory activity against human melanocortin 3 receptor
50014103	7	ChEMBL_105990 (CHEMBL716347)	Inhibitory activity against mouse melanocortin 1 receptor
50044932	2	ChEMBL_1434404 (CHEMBL3387656)	Agonist activity at mouse GPR119 overexpressed in CHO cells assessed as increase in cellular cAMP production by HTRF method
50014104	5	ChEMBL_218203 (CHEMBL824552)	Inhibition of platelet aggregation in human platelet-rich plasma by alphaIIb-beta3 integrin
50044933	1	ChEMBL_1434446 (CHEMBL3388263)	Displacement of [3H]histamine from human recombinant histamine H4 receptor
50044934	1	ChEMBL_1434450 (CHEMBL3388267)	Antagonist activity at CXCR2 in human whole blood by CD11b assay
50044934	2	ChEMBL_1434449 (CHEMBL3388266)	Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay
50014109	1	ChEBML_41891	Inhibition of human C-C chemokine receptor type 2
50014110	4	ChEMBL_90505 (CHEMBL697923)	Inhibitory activity against IKK2
50044935	1	ChEMBL_1434456 (CHEMBL3388273)	Inhibition of HDAC1 (unknown origin) after 15 mins by fluorescence assay
50044935	2	ChEMBL_1434457 (CHEMBL3388274)	Inhibition of HDAC2 (unknown origin) after 15 mins by fluorescence assay
50014115	2	ChEBML_159902	Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method
50014115	1	ChEMBL_159902 (CHEMBL768684)	Inhibition of human Prostaglandin G/H synthase 2 in sf-9 cells by spectrophotometric method
50044935	3	ChEMBL_1434458 (CHEMBL3388275)	Inhibition of HDAC6 (unknown origin) after 15 mins by fluorescence assay
50014116	2	ChEBML_87892	Inhibition of Histone deacetylase 6 (HDAC6) of HeLa nuclear extracts
50014116	1	ChEBML_87875	Inhibition of Histone deacetylase 2 (HDAC2) activity of HeLa nuclear extracts
50014116	3	ChEBML_88029	Inhibition of Histone deacetylase 8 (HDAC8) of HeLa nuclear extracts
50014116	5	ChEBML_87853	Inhibition of Histone deacetylase 1 (HDAC1) of HeLa nuclear extracts
50044935	4	ChEMBL_1434455 (CHEMBL3388272)	Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay
50014122	2	ChEBML_148090	Displacement of [3H]DAMGO (2 nM ) from opioid receptor mu 1 in human brain
50014122	3	ChEBML_220586	Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain
50044936	1	ChEMBL_1435161 (CHEMBL3389512)	Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50014126	4	ChEBML_676	Agonistic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]GTP-gamma-S, stimulated cAMP assay
50014126	6	ChEBML_201485	Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter
50044936	2	ChEMBL_1435155 (CHEMBL3389506)	Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50044936	3	ChEMBL_1435149 (CHEMBL3389500)	Agonist activity at TRPM8 (unknown origin)
50044936	6	ChEMBL_1435158 (CHEMBL3389509)	Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50044936	7	ChEMBL_1435154 (CHEMBL3389505)	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50014130	2	ChEBML_29728	Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]CCPA as radioligand
50014130	1	ChEBML_29007	Binding affinity against rat Adenosine A1 receptor
50044936	8	ChEMBL_1435160 (CHEMBL3389511)	Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50014133	1	ChEBML_154606	Inhibitory activity against Palmitoyl-CoA oxidase to inhibit rat heart mitochondrial Palmitoyl-CoA oxidation.
50014133	2	ChEBML_51528	Inhibition of cytochrome P450 2C9 of isolated guinea pig heart
50014133	3	ChEBML_51352	Inhibition of cytochrome P450 1A2 of isolated guinea pig heart
50014133	4	ChEBML_51895	Inhibition of cytochrome P450 3A4 of isolated guinea pig heart
50044937	1	ChEMBL_1435180 (CHEMBL3389531)	Inhibition of GST-tagged full-length ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis
50044937	2	ChEMBL_1435182 (CHEMBL3390067)	Inhibition of PLC gamma-1 phosphorylation in human Jurkat T cells after 30 mins
50044938	1	ChEMBL_1435870 (CHEMBL3390731)	Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain membranes by liquid scintillation counting method
50044938	2	ChEMBL_1435869 (CHEMBL3390730)	Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes by liquid scintillation counting method
50044938	3	ChEMBL_1435871 (CHEMBL3390732)	Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig membranes by liquid scintillation counting method
50044939	1	ChEMBL_1435873 (CHEMBL3390734)	Inhibition of purified Mycobacterium smegmatis GyrB at 50 to 100 uM after 100 mins by ATPase assay
50044940	1	ChEMBL_1435893 (CHEMBL3381617)	Inhibition of human ERG expressed in CHO cells by Rb efflux assay
50044940	2	ChEMBL_1435898 (CHEMBL3381622)	Inhibition of human recombinant CYP1A2 after 15 mins
50044940	3	ChEMBL_1435899 (CHEMBL3381623)	Inhibition of human recombinant CYP2C9 after 45 mins
50044940	4	ChEMBL_1435900 (CHEMBL3381624)	Inhibition of human recombinant CYP2C19 after 30 mins
50044940	5	ChEMBL_1435901 (CHEMBL3381625)	Inhibition of human recombinant CYP2D6 after 30 mins
50044941	1	ChEMBL_1435908 (CHEMBL3381632)	Inhibition of ACDase in human MCF7 cell lysate using [9,10-3H] De-C16-Cer substrate after 1 hr by scintillation counting analysis
50044942	5	ChEMBL_1436581 (CHEMBL3382961)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method
50044942	7	ChEMBL_1436583 (CHEMBL3382963)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method
50044942	4	ChEMBL_1436582 (CHEMBL3382962)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method
50014139	6	ChEMBL_208336 (CHEMBL813568)	Binding affinity against human alpha thrombin.
50014139	1	ChEMBL_213154 (CHEMBL815981)	Binding affinity to human urokinase-type plasminogen activator (microPa).
50014139	3	ChEMBL_92235 (CHEMBL703580)	Binding affinity against human plasma kallikrein.
50014139	4	ChEMBL_212906 (CHEMBL819934)	Binding affinity against porcine trypsin was determined.
50014139	5	ChEMBL_208066 (CHEMBL814417)	Binding affinity towards human Tissue type plasminogen activator.
50014139	2	ChEMBL_155235 (CHEMBL764725)	Binding affinity towards human plasmin.
50014140	4	ChEMBL_105074 (CHEMBL711319)	Inhibition of matrix metalloprotease-8
50014140	2	ChEMBL_104396 (CHEMBL714999)	Inhibition of Matrix metalloprotease-2
50044942	6	ChEMBL_1436584 (CHEMBL3382964)	Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydrase assay method
50014140	9	ChEMBL_106453 (CHEMBL717837)	Inhibition of Matrix metalloprotease-11
50014140	1	ChEMBL_106771 (CHEMBL717142)	Inhibition of matrix metalloprotease-13
50014140	3	ChEMBL_105048 (CHEMBL711562)	Inhibition of Matrix metalloprotease-7
50014140	5	ChEMBL_106128 (CHEMBL718676)	Inhibition of matrix metalloprotease-1
50014141	5	ChEMBL_55405 (CHEMBL668414)	Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108 NI164L DHFR)
50014141	8	ChEMBL_55403 (CHEMBL668412)	Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)
50014141	10	ChEMBL_216587 (CHEMBL821379)	Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)
50014141	11	ChEMBL_155471 (CHEMBL769667)	In vitro antimalarial activity against Plasmodium falciparum Vl/S with quadruple DHFR mutant (N51I/C59R/S108N/I164L) 
50014141	4	ChEMBL_155459 (CHEMBL769484)	In vitro antimalarial activity against Plasmodium falciparum Csl-2 triple DHFR mutant (C59R/S108N/I164L)/
50014141	12	ChEMBL_155460 (CHEMBL769485)	In vitro antimalarial activity against Plasmodium falciparum Csl-2 triple DHFR mutant (C59R/S108N/I164L) relative to trimethoprim
50014141	6	ChEMBL_55404 (CHEMBL668413)	Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N I164L DHFR)
50014141	1	ChEMBL_155469 (CHEMBL769665)	In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 wtDHFR
50014141	2	ChEMBL_155468 (CHEMBL769664)	In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutation (C59R/S108N) relative to trimethoprim
50014141	9	ChEMBL_155470 (CHEMBL769666)	In vitro antimalarial activity relative to trimethoprim against Plasmodium falciparum TM4/8.2 wtDHFR
50014141	3	ChEMBL_155467 (CHEMBL769492)	In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutant (C59R/S108N)
50014141	7	ChEMBL_155472 (CHEMBL769668)	In vitro antimalarial activity relative to trimethoprim against Plasmodium falciparum Vl/S with quadruple DHFR mutant (N51I/C59R/S108N/I164L)
50014145	2	ChEMBL_41584 (CHEMBL654878)	Inhibitory concentration against butyrylcholinesterase.
50014145	4	ChEMBL_101166 (CHEMBL711027)	Compound was tested to inhibit lipoprotein lipase (LPL)
50014145	3	ChEMBL_88051 (CHEMBL693215)	Inhibition of hormone sensitive lipase (HSL).
50014145	6	ChEMBL_29411 (CHEMBL643384)	Inhibitory concentration against acetylcholinesterase
50014145	5	ChEMBL_152478 (CHEMBL760716)	Compound was tested to inhibit pancreatic lipase (PL)
50014145	1	ChEMBL_100992 (CHEMBL707395)	Compound was tested to inhibit hepatic lipase (HL)
50014147	3	ChEMBL_161571 (CHEMBL769088)	Inhibition of Trypanosoma brucei protein farnesyltransferase
50014147	2	ChEMBL_161592 (CHEMBL769132)	Inhibition of mammalian protein farnesyltransferase
50014147	1	ChEMBL_161572 (CHEMBL769089)	Inhibition of Trypanosoma brucei protein farnesyltransferase at 50 nM
50014148	1	ChEMBL_146327 (CHEMBL757535)	Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand
50014148	4	ChEMBL_145815 (CHEMBL753527)	Binding affinity towards Opioid receptor kappa 1 expressed in CHO cells was determined by using [3H]diprenorphine as radioligand
50014148	3	ChEMBL_148864 (CHEMBL756660)	Binding affinity towards Opioid receptor mu 1 expressed in CHO cells was determined by using[3H]DAMGO as radioligand
50014148	2	ChEMBL_145691 (CHEMBL753317)	Inhibition of forskolin-stimulated adenylyl cyclase activity by compound in CHO cells expressing Opioid receptor kappa 1
50014149	8	ChEMBL_104483 (CHEMBL712464)	Metabotropic glutamate receptor 7 agonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	1	ChEMBL_105721 (CHEMBL719088)	Metabotropic glutamate receptor 1 agonist activity as basal [3H]- IP formation in rat
50014149	6	ChEMBL_104485 (CHEMBL712466)	Metabotropic glutamate receptor 7 antagonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	14	ChEMBL_104463 (CHEMBL713650)	Metabotropic glutamate receptor 6 agonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	15	ChEMBL_106201 (CHEMBL713191)	Metabotropic glutamate receptor 2 agonist activity against forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	11	ChEMBL_104284 (CHEMBL711719)	Metabotropic glutamate receptor 5 agonist activity as basal [3H]- IP formation in rat
50014149	16	ChEMBL_106694 (CHEMBL714496)	Metabotropic glutamate receptor 4 agonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	7	ChEMBL_106365 (CHEMBL714443)	Binding affinity towards metabotropic glutamate receptor 2 was determined
50014149	3	ChEMBL_104624 (CHEMBL872629)	Metabotropic glutamate receptor 8 agonist activity against forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	12	ChEMBL_104465 (CHEMBL712211)	Metabotropic glutamate receptor 6 antagonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	4	ChEMBL_106227 (CHEMBL715054)	Binding affinity towards metabotropic glutamate receptor 2 was determined
50014149	10	ChEMBL_106395 (CHEMBL717250)	Metabotropic glutamate receptor 3 agonist activity against forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	9	ChEMBL_106541 (CHEMBL714802)	Binding affinity towards metabotropic glutamate receptor 3 was determined
50014149	5	ChEMBL_106538 (CHEMBL714799)	Binding affinity towards Metabotropic glutamate receptor 3 was determined
50014149	13	ChEMBL_106696 (CHEMBL713998)	Metabotropic glutamate receptor 4 antagonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014149	2	ChEMBL_104626 (CHEMBL715573)	Metabotropic glutamate receptor 8 antagonist activity to influence forskolin stimulated c-AMP formation in rat non neuronal cells
50014155	1	ChEMBL_209042 (CHEMBL815488)	In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]NKA as a radioligand
50014155	2	ChEMBL_205881 (CHEMBL813942)	In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]SP as a radioligand
50014155	3	ChEMBL_209712 (CHEMBL816255)	In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]MePhe-NKB as a radioligand
50014159	2	ChEMBL_45540 (CHEMBL656670)	Concentration required to inhibit 50% of cysteine protease cathepsin K of human
50014159	1	ChEMBL_48338 (CHEMBL663327)	Inhibition of cysteine protease cathepsin K of rat
50014161	1	ChEMBL_46448 (CHEMBL657896)	Displacement of CP-55940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells
50014161	2	ChEMBL_46977 (CHEMBL659744)	Affinity to displace CP-55940 binding from Cannabinoid receptor 2 of human expressed in CHO cells
50044943	1	ChEMBL_1436623 (CHEMBL3383554)	Inhibition of recombinant c-Kit (unknown origin) after 1 hr by microfluidic assay
50044943	2	ChEMBL_1436624 (CHEMBL3383555)	Inhibition of recombinant Aur B (unknown origin) after 1 hr by microfluidic assay
50044944	1	ChEMBL_1437282 (CHEMBL3384200)	Inhibition of human PDE10A using FAM-cAMP substrate by TR-FRET progressive binding assay
50014164	3	ChEMBL_27420 (CHEMBL883246)	Effective concentration for displacement of [3H]CCPA from human A1 adenosine receptor after 60 min
50014164	1	ChEMBL_27421 (CHEMBL646665)	Effective concentration for displacement of [3H]-CCPA from human adenosine A1 receptor after 60 min
50014164	2	ChEMBL_27579 (CHEMBL643501)	Binding affinity for human Adenosine A1 receptor
50014165	4	ChEMBL_155797 (CHEMBL760283)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R/S108N (K1CB1) mutant
50014165	8	ChEMBL_55397 (CHEMBL667200)	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum
50014165	11	ChEMBL_155800 (CHEMBL765485)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase N51I/C59R/S108N (W2)
50014165	7	ChEMBL_55398 (CHEMBL880697)	Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum
50014165	3	ChEMBL_155798 (CHEMBL760860)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase C59R+S108N/I164L (Csl-2) mutant
50014165	1	ChEMBL_155795 (CHEMBL760281)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase A16V/S108T (T9/94RC17) mutant
50014165	9	ChEMBL_55274 (CHEMBL663727)	Binding affinity towards mutant dihydrofolate reductase (A16V+S108T DHFR) of Plasmodium falciparum.
50014165	5	ChEMBL_55275 (CHEMBL663728)	Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum
50014165	6	ChEMBL_216585 (CHEMBL821377)	Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum.
50014165	2	ChEMBL_155799 (CHEMBL765484)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase CN51I/C59R/S108N/I164L (V1/S) mutant
50014165	10	ChEMBL_155801 (CHEMBL765486)	In vitro anti-plasmodial activity against Plasmodium falciparum dihydrofolate reductase wild type (TM4/8.2)
50044944	2	ChEMBL_1437291 (CHEMBL3384794)	Inhibition of human PDE9A2 using FAM-cGMP substrate by TR-FRET progressive binding assay
50044944	3	ChEMBL_1437292 (CHEMBL3384795)	Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay
50044944	4	ChEMBL_1437293 (CHEMBL3384796)	Inhibition of human PDE11A4 using FAM-cAMP substrate by TR-FRET progressive binding assay
50044944	5	ChEMBL_1437284 (CHEMBL3384202)	Inhibition of human PDE1B using FAM-cAMP substrate by TR-FRET progressive binding assay
50044944	6	ChEMBL_1437285 (CHEMBL3384788)	Inhibition of human PDE2A1 using FAM-cAMP substrate by TR-FRET progressive binding assay
50044944	7	ChEMBL_1437286 (CHEMBL3384789)	Inhibition of human PDE3A using FAM-cAMP substrate by TR-FRET progressive binding assay
50014170	1	ChEMBL_3809 (CHEMBL619884)	Inhibition of 5-Lipoxygenase (5-LO) of human whole blood (HWB)
50014172	8	ChEMBL_149017 (CHEMBL758581)	Displacement of [3H]DAMGO from Opioid receptor mu 1 of rat brain membranes
50014172	6	ChEMBL_148385 (CHEMBL757380)	Inhibition of Mu opioid receptor of mouse vas deferens
50014172	7	ChEMBL_149018 (CHEMBL758582)	Displacement of [3H]endomorphin-2 from Opioid receptor mu 1 of rat brain membranes
50014172	4	ChEMBL_145838 (CHEMBL755496)	Displacement of [3H]dynorphin A from Opioid receptor kappa 1 of rat brain membranes (DAMGO/DADLE quenching of mu/delta receptor binding)
50014172	3	ChEMBL_147064 (CHEMBL754884)	Displacement of [3H]Ile5,6-deltorphin II from opioid receptor delta 1 of rat brain membranes
50014172	1	ChEMBL_146991 (CHEMBL758067)	Inhibition of Opioid receptor mu 1 of guinea pig ileum
50014172	2	ChEMBL_148684 (CHEMBL751058)	In vitro binding affinity towards Opioid receptor mu 1 in rat brain membranes
50014172	5	ChEMBL_149019 (CHEMBL758583)	Affinity for Opioid receptor mu 1 in rat brain membranes
50014173	6	ChEMBL_106179 (CHEMBL714598)	Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release
50014173	3	ChEMBL_105840 (CHEMBL719017)	Binding affinity towards human Melanocortin 1 receptor (MC1R) using [125I]NDP-alpha-MSH as a radioligand in membranes of HEK 293 cells
50044944	8	ChEMBL_1437287 (CHEMBL3384790)	Inhibition of human PDE4D2 using FAM-cAMP substrate by TR-FRET progressive binding assay
50014173	5	ChEMBL_106654 (CHEMBL712999)	Binding affinity towards human Melanocortin 5 receptor (MC5R) using [125I]NDP-alpha-MSH as a radioligand in membranes of HEK 293 cells
50044944	9	ChEMBL_1437288 (CHEMBL3384791)	Inhibition of human PDE5A using FAM-cGMP substrate by TR-FRET progressive binding assay
50044944	10	ChEMBL_1437289 (CHEMBL3384792)	Inhibition of human PDE7A1 using FAM-cAMP substrate by TR-FRET progressive binding assay
50044944	11	ChEMBL_1437290 (CHEMBL3384793)	Inhibition of human PDE8A1 using FAM-cAMP substrate by TR-FRET progressive binding assay
50044945	2	ChEMBL_1437303 (CHEMBL3384806)	Inhibition of soybean LOX assessed as reduction in conversion of sodium linoleate to 13-hydroperoxylinoleic acid by UV spectroscopy
50014179	3	ChEMBL_88913 (CHEMBL699815)	In vitro inhibition of binding of integrin alpha4-beta1 to immobilized VCAM-1 expressed on endothelial cell surface.
50044946	7	ChEMBL_1437305 (CHEMBL3384808)	Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay
50044946	8	ChEMBL_1437316 (CHEMBL3384819)	Inhibition of HCV genotype 1b NS3/4A protease
50044946	9	ChEMBL_1437307 (CHEMBL3384810)	Inhibition of HCV NS3/4A protease D168V mutant using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay
50014180	2	ChEBML_144141	Human Neuropeptide Y1 receptor binding affinity
50014180	1	ChEBML_144156	Human Neuropeptide Y5 receptor binding affinity
50044946	10	ChEMBL_1437306 (CHEMBL3384809)	Inhibition of HCV NS3/4A protease A156T mutant using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay
50014181	1	ChEBML_45323	Compound was tested for inhibition of cathepsin D
50014181	3	ChEBML_196262	Compound was tested for inhibition of human renin
50044946	6	ChEMBL_1437308 (CHEMBL3384811)	Inhibition of HCV NS3/4A protease R155K mutant using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay
50014188	3	ChEBML_70720	Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.
50014188	2	ChEBML_70719	Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells.
50014188	4	ChEMBL_71972 (CHEMBL684165)	Inhibition of human Geranylgeranyl transferase type I incorporation of [3H]GGPP into biotinylated peptide corresponding to the C-terminus of human Ki-Ras.
50014188	5	ChEMBL_70720 (CHEMBL682424)	Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.
50044947	5	ChEMBL_1437329 (CHEMBL3385424)	Inhibition of recombinant FLT3 ITD mutant (unknown origin) by RBC kinase assay
50044947	6	ChEMBL_1437328 (CHEMBL3385423)	Inhibition of recombinant FLT3 D835Y mutant (unknown origin) by TR-FRET assay
50044947	4	ChEMBL_1437327 (CHEMBL3385422)	Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay
50044948	2	ChEMBL_1438031 (CHEMBL3387278)	Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluorescent assay
50044949	10	ChEMBL_1438809 (CHEMBL3389737)	Inhibition of recombinant his6-tagged DPP7 (unknown origin) using Nle-Pro-AMC as substrate by continuous fluorometric method
50044949	6	ChEMBL_1438811 (CHEMBL3389739)	Inhibition of recombinant his6-tagged DPP9 (unknown origin) using Ala-Pro-AMC as substrate by continuous fluorometric method
50044949	9	ChEMBL_1438808 (CHEMBL3389736)	Inhibition of human recombinant his6-tagged DPP4 using Ala-Pro-AMC as substrate by continuous fluorometric method
50014193	4	ChEBML_83645	Binding affinity for human histamine H3 receptor on human colon cells
50014193	2	ChEBML_84424	Binding affinity towards histamine H1 receptor of human colon cells was determined
50014193	5	ChEBML_87091	Binding affinity towards histamine H4 receptor of human colon cells was determined
50014193	7	ChEMBL_83645 (CHEMBL878323)	Binding affinity for human histamine H3 receptor on human colon cells
50014193	1	ChEBML_85523	Binding affinity towards histamine H2 receptor of human colon cells was determined
50014194	2	ChEBML_60209	Binding affinity towards human dopamine receptor D2 by the displacement of [3H]spiperone radioligand from the cloned receptor expressed in CHO cells
50014194	4	ChEBML_912	Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]5-HT radioligand from the cloned receptor expressed in HeLa cells
50014194	3	ChEBML_3690	Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO cells
50014194	1	ChEBML_2296	Binding affinity towards human 5-hydroxytryptamine 2A receptor by the displacement of [3H]ketanserin radioligand from the cloned receptor expressed in CHO cells
50014195	1	ChEBML_210707	Inhibitory activity was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase
50014196	1	ChEBML_60859	Tested for effect on inhibition of Dual specificity protein phosphatase 3 and the value reported is overall equilibrium constant
50014197	1	ChEMBL_86915 (CHEMBL699053)	pBinding potency by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes
50014197	2	ChEMBL_223735 (CHEMBL843739)	Binding potency by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes
50014199	2	ChEMBL_49781 (CHEMBL663002)	Inhibitory activity against chymotrypsinogen in the presence of Zn(II) (500 uM)
50014202	2	ChEBML_45550	Inhibitory activity against human cathepsin K
50014202	1	ChEBML_48340	Inhibitory activity against rat cathepsin K
50014204	2	ChEBML_1346	Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1B receptor
50014204	1	ChEBML_1716	Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1D receptor
50014204	3	ChEMBL_1347 (CHEMBL616532)	Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1B receptor
50014207	1	ChEBML_144355	Inhibition of human inducible nitric oxide synthase
50014207	3	ChEBML_144358	Inhibition of human endothelial nitric oxide synthase
50014207	2	ChEBML_144354	Inhibition of human neuronal nitric oxide synthase
50014209	1	ChEBML_155880	Binding affinity against phospholipase A2 of Naja mocambique mocambique
50014211	1	ChEBML_155740	Inhibitory concentration against plasminogen activator inhibitor-1 (PAI-1)
50014212	1	ChEBML_68491	Inhibition of Farnesyltransferase
50014215	1	ChEBML_163039	Inhibitory activity against human Raf-1 kinase
50044949	8	ChEMBL_1438810 (CHEMBL3389738)	Inhibition of recombinant his6-tagged DPP8 (unknown origin) using Ala-Pro-AMC as substrate by continuous fluorometric method
50044949	7	ChEMBL_1438812 (CHEMBL3389740)	Inhibition of recombinant his6-tagged FAP (unknown origin) using Nle-Pro-AMC as substrate by continuous fluorometric method
50044950	4	ChEMBL_1438832 (CHEMBL3390300)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method
50044950	3	ChEMBL_1438829 (CHEMBL3390297)	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method
50044951	8	ChEMBL_1438837 (CHEMBL3390305)	Competitive inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 mins
50044951	11	ChEMBL_1438836 (CHEMBL3390304)	Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescence assay
50044951	7	ChEMBL_1438839 (CHEMBL3390307)	Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 mins
50044951	9	ChEMBL_1438838 (CHEMBL3390306)	Mixed-type inhibition of human CYP2A6 in baculovirus-infected insect cell system assessed as nicotine metabolism after 15 mins
50044951	12	ChEMBL_1438834 (CHEMBL3390302)	Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay
50044951	10	ChEMBL_1438835 (CHEMBL3390303)	Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 30 mins prior to substrate addition measured after 10 mins by fluorescence assay
50014221	1	ChEBML_27581	Binding affinity for human adenosine A1 receptor by displacement of [3H]DPCPX
50014221	2	ChEBML_29998	Binding affinity for rat adenosine A2A receptor by displacement of [3H]SCH-58261
50014221	3	ChEBML_31372	Binding affinity towards human recombinant adenosine A2A receptor by displacement of [3H]SCH-58261 radioligand.
50014222	2	ChEMBL_208309 (CHEMBL812829)	Binding affinity to human thrombin
50014222	5	ChEMBL_45351 (CHEMBL661888)	Inhibitory activity against human Cathepsin G
50014222	3	ChEMBL_207950 (CHEMBL811066)	Binding activity against human alpha thrombin
50014222	4	ChEMBL_207965 (CHEMBL815792)	Compound was tested for inhibition of gel-filtered platelet (GFP) aggregation induced by alpha-thrombin
50014222	1	ChEMBL_212896 (CHEMBL824724)	Binding affinity against human alpha trypsin
50014223	2	ChEMBL_72504 (CHEMBL683938)	In vitro binding affinity for Grb2 SH2 domain
50014223	1	ChEMBL_72502 (CHEMBL683936)	In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain
50014227	6	ChEMBL_36795 (CHEMBL650315)	Inhibition against human angiotensin II receptor, type 1 (AG2-R)
50014227	3	ChEMBL_3609 (CHEMBL618092)	Inhibition against human 5-hydroxytryptamine 6 receptor
50014227	5	ChEMBL_106343 (CHEMBL713798)	Inhibition against human melanocortin-4 (MC4) receptor
50014227	1	ChEMBL_72511 (CHEMBL685176)	Inhibition against rat growth hormone secretagogue (GHS) receptor
50014227	4	ChEMBL_72515 (CHEMBL685180)	Inhibition against human growth hormone secretagogue (GHS) receptor
50014227	2	ChEMBL_72510 (CHEMBL685175)	Inhibition against pig growth hormone secretagogue (GHS) receptor
50044952	2	ChEMBL_1438848 (CHEMBL3390316)	Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green assay
50014231	2	ChEMBL_52520 (CHEMBL665293)	Half-Maximal effective concentration of compound required to stimulate of wild type-CFTR activity in the presence of 10 uM Fsk
50014231	1	ChEMBL_52519 (CHEMBL665292)	Half-Maximal effective concentration of compound required to stimulate of G551D-CFTR activity in the presence of 10 uM Fsk
50014238	7	ChEMBL_29996 (CHEMBL642184)	Displacement of [3H]MSX-2 from adenosine A2A receptor of rat brain striatal membranes
50014238	4	ChEMBL_29997 (CHEMBL643008)	Binding affinity for adenosine A2A receptor using [3H]-NECA in rat brain striatal membranes
50014238	6	ChEMBL_30310 (CHEMBL638564)	Binding affinity for human adenosine A2B receptor using [3H]-PSB-298 in CHO cell membranes
50014238	5	ChEMBL_29175 (CHEMBL641070)	Binding affinity for adenosine A1 receptor using [3H]PIA in rat brain cortical membrane
50014238	2	ChEMBL_31855 (CHEMBL643932)	Binding affinity for human adenosine A3 receptor using [3H]PBS-11 in CHO cell membranes
50014238	3	ChEMBL_29174 (CHEMBL641069)	Displacement of [3H]-CCPA from adenosine A1 receptor of rat brain cortical membrane preparations
50014238	9	ChEMBL_30631 (CHEMBL644646)	Binding affinity for human adenosine A3 receptor using [3H]-PBS-11 in CHO cell membranes
50014238	1	ChEMBL_30416 (CHEMBL645970)	Binding affinity for human adenosine A2B receptor using [3H]ZM-241385 in CHO cell membranes
50014238	8	ChEMBL_30309 (CHEMBL638563)	Binding affinity for human HEK293 adenosine A2B receptor using [125I]ABOPX in CHO cell membranes
50044953	1	ChEMBL_1439622 (CHEMBL3383140)	Antagonist activity at human recombinant adenosine A1 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation after 15 mins by liquid scintillation spectrometry
50044953	2	ChEMBL_1439621 (CHEMBL3383139)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells after 120 mins
50014241	2	ChEMBL_89215 (CHEMBL699707)	Affinity fo the compound against human Intestinal peptide transporter PepT1 in Caco-2 cells was measured as inhibition of [14C]Gly-Sar uptake
50014241	1	ChEMBL_89214 (CHEMBL699706)	Concentration required to inhibit the maximum [14C]Gly-Sar uptake by human Intestinal peptide transporter PepT1 in Caco-2 cells
50044953	3	ChEMBL_1439619 (CHEMBL3383137)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 120 mins
50044953	4	ChEMBL_1439617 (CHEMBL3383135)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins
50014243	1	ChEMBL_51110 (CHEMBL666548)	Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.
50044954	1	ChEMBL_1440356 (CHEMBL3385618)	Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method
50044954	2	ChEMBL_1440357 (CHEMBL3385619)	Inhibition of Sprague-Dawley rat MAO-A in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method
50014249	4	ChEMBL_201479 (CHEMBL804588)	Inhibition of [125I]RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells
50014249	1	ChEMBL_61662 (CHEMBL670939)	In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]RTI-55 as radioligand
50014249	2	ChEMBL_144969 (CHEMBL753702)	In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line by using [3H]-nisoxatine radioligand
50014249	9	ChEMBL_61665 (CHEMBL671613)	In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [3H]WIN-35428 as the radiotracer
50014249	7	ChEMBL_61663 (CHEMBL671611)	In vitro binding affinity against human dopamine transporter in dog kidney cell line using [125I]RTI-55 as radioligand
50014249	6	ChEMBL_144970 (CHEMBL753703)	In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line by using [125I]-RTI-55 radioligand
50014249	3	ChEMBL_144968 (CHEMBL755086)	In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line using [125I]RTI-55 as radioligand
50014249	10	ChEMBL_61666 (CHEMBL671614)	In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [3H]WIN-35428 radioligand
50014249	8	ChEMBL_61664 (CHEMBL671612)	In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]RTI-55 radioligand
50014252	1	ChEMBL_147673 (CHEMBL758901)	Effective agonist concentration to human orexin receptor type 1 determined using the Xlfit program
50014252	2	ChEMBL_147797 (CHEMBL757347)	Effective agonist concentration to the human Orexin receptor type 2 was determined using the Xlfit program
50014260	2	ChEMBL_143243 (CHEMBL752531)	Inhibition of rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus Oocytes
50014260	1	ChEMBL_144034 (CHEMBL872836)	Compound was evaluated for inhibition of rat Nicotinic acetylcholine receptor alpha7 (nAChR) in Xenopus Oocytes
50014260	3	ChEMBL_144167 (CHEMBL748942)	Compound was evaluated for inhibition of rat Nicotinic acetylcholine receptor alpha-7 (nAChR) in Xenopus Oocytes
50044955	1	ChEMBL_1440359 (CHEMBL3385621)	Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method
50044955	2	ChEMBL_1440361 (CHEMBL3385623)	Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC method
50014277	1	ChEBML_46467	Evaluated for binding affinity towards human Cannabinoid receptor 1
50044955	3	ChEMBL_1440362 (CHEMBL3385624)	Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC method
50014287	2	ChEBML_159926	Inhibitory potency against cyclooxygenase-2 in human whole blood assay
50044955	4	ChEMBL_1440365 (CHEMBL3385627)	Inhibition of human CYP17 expressed in Escherichia coli using [3H]-progesterone substrate pre-incubated for 5 mins in presence of rat P450 reductase by HPLC method
50044956	1	ChEMBL_1441152 (CHEMBL3378816)	Inhibition of GSTP1-1 (unknown origin) using GSH substrate by spectrophotometric method
50014290	2	ChEMBL_143322 (CHEMBL750405)	Binding affinity against NR1A/2B receptor in rat brains by [3H]ifenprodil displacement.
50014292	4	ChEBML_209078	Inhibitory concentration of compound was determined against thrombin
50014292	3	ChEBML_155592	Inhibitory concentration of compound was determined against Plasmin
50014292	8	ChEBML_213051	Inhibitory concentration of compound was determined against trypsin
50014292	7	ChEBML_27868	Inhibitory concentration of compound was determined against activated protein C
50044956	2	ChEMBL_1441153 (CHEMBL3378817)	Inhibition of GSTM2-2 (unknown origin) using GSH substrate by spectrophotometric method
50014292	6	ChEBML_208228	Inhibitory concentration against tissue type plasminogen activator
50014292	5	ChEMBL_27868 (CHEMBL640566)	Inhibitory concentration of compound was determined against activated protein C
50014293	4	ChEBML_209075	Inhibitory activity of compound against thrombin
50014293	3	ChEBML_27867	Inhibitory activity against activated protein C was determined
50014293	1	ChEBML_208224	Inhibitory activity of compound against tissue type plasminogen activator
50014293	5	ChEBML_213043	Inhibitory activity of compound against trypsin
50014293	8	ChEBML_155588	Inhibitory activity of compound against plasmin
50014295	2	ChEMBL_144153 (CHEMBL750768)	Binding affinity towards the NPY Y2 receptor
50014295	1	ChEBML_144153	Binding affinity towards the NPY Y2 receptor
50014299	2	ChEBML_53340	Inhibitory activity against human Dipeptidylpeptidase IV
50014299	1	ChEBML_65269	Binding affinity towards human ERG potassium ion channel was determined
50014299	3	ChEBML_160555	Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme
50044957	1	ChEMBL_1441161 (CHEMBL3378825)	Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis
50044957	2	ChEMBL_1441162 (CHEMBL3378826)	Inhibition of mouse serine racemase by Lineweaver-Burk plot
50044958	1	ChEMBL_1441163 (CHEMBL3378827)	Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting
50044959	1	ChEMBL_1441178 (CHEMBL3378842)	Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50044959	2	ChEMBL_1441177 (CHEMBL3378841)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50044959	3	ChEMBL_1441179 (CHEMBL3378843)	Inhibition of electric eel AChE by Lineweaver-Burk plot
50044960	1	ChEMBL_1441181 (CHEMBL3378845)	Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry
50014305	1	ChEBML_32533	Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin
50014306	2	ChEBML_197642	Beta-Lactamase inhibitory activity against representative class A (TEM-1) serine enzyme
50044960	2	ChEMBL_1441949 (CHEMBL3372215)	Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry
50044961	1	ChEMBL_1441976 (CHEMBL3372242)	Inhibition of recombinant PRKACA (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	2	ChEMBL_1441975 (CHEMBL3372241)	Inhibition of recombinant PLK1 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	3	ChEMBL_1441974 (CHEMBL3372240)	Inhibition of recombinant PAK2 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	4	ChEMBL_1441973 (CHEMBL3372239)	Inhibition of recombinant MAPK1 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	5	ChEMBL_1441972 (CHEMBL3372238)	Inhibition of recombinant IGF1R (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	6	ChEMBL_1441971 (CHEMBL3372237)	Inhibition of recombinant EGFR (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	7	ChEMBL_1441970 (CHEMBL3372236)	Inhibition of recombinant CK1 alpha1 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	8	ChEMBL_1441969 (CHEMBL3372235)	Inhibition of recombinant AKT1 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	9	ChEMBL_1441997 (CHEMBL3372797)	Binding affinity to AURKB (unknown origin)
50044961	10	ChEMBL_1441996 (CHEMBL3372796)	Binding affinity to AURKA (unknown origin)
50044961	11	ChEMBL_1441967 (CHEMBL3372233)	Inhibition of recombinant PKC alpha (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	12	ChEMBL_1441965 (CHEMBL3372231)	Inhibition of recombinant NEK1 (unknown origin) after 60 mins by z'-lyte kinase assay
50014307	1	ChEBML_67686	Binding affinity for estrogen receptor beta
50014307	2	ChEBML_67485	Binding affinity for estrogen receptor alpha
50044961	13	ChEMBL_1441964 (CHEMBL3372230)	Inhibition of recombinant KDR (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	14	ChEMBL_1441963 (CHEMBL3372229)	Inhibition of recombinant FLT4 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	15	ChEMBL_1441962 (CHEMBL3372228)	Inhibition of recombinant AURKC (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	16	ChEMBL_1441961 (CHEMBL3372227)	Inhibition of recombinant PDGFR alpha (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	17	ChEMBL_1441960 (CHEMBL3372226)	Inhibition of recombinant FLT1 (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	18	ChEMBL_1441959 (CHEMBL3372225)	Inhibition of recombinant GSK-3 beta (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	19	ChEMBL_1441958 (CHEMBL3372224)	Inhibition of recombinant AURKA (unknown origin) after 60 mins by z'-lyte kinase assay
50044961	20	ChEMBL_1441957 (CHEMBL3372223)	Inhibition of recombinant AURKB (unknown origin) after 60 mins by z'-lyte kinase assay
50044962	1	ChEMBL_1432047 (CHEMBL3388739)	Inhibition of HIV-1 integrase strand transfer activity
50044962	2	ChEMBL_1432046 (CHEMBL3388738)	Inhibition of HIV-1 integrase
50044963	1	ChEMBL_1432944 (CHEMBL3383919)	Inhibition of 5-LO in human PMNL using arachidonic acid as substrate assessed as product formation incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis
50014310	3	ChEMBL_53719 (CHEMBL663647)	Inhibitory activity against the calf thymus DNA topoisomerase I
50014310	2	ChEBML_54030	Inhibitory activity against the wheat germ DNA topoisomerase I
50044963	2	ChEMBL_1432947 (CHEMBL3383922)	Inhibition of 5-LO in rat RBL1 cells
50044963	3	ChEMBL_1432948 (CHEMBL3383923)	Inhibition of 12-LO (unknown origin)
50044963	4	ChEMBL_1432949 (CHEMBL3383924)	Inhibition of 15-LO1 (unknown origin)
50044963	5	ChEMBL_1432943 (CHEMBL3383918)	Inhibition of 5-LO in human PMNL S100 extract using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis
50044964	1	ChEMBL_1444324 (CHEMBL3371755)	Inhibition of VEGFR1 (unknown origin)
50044964	2	ChEMBL_1444325 (CHEMBL3371756)	Inhibition of VEGFR2 (unknown origin)
50044965	1	ChEMBL_1444339 (CHEMBL3371770)	Inhibition of B-Raf V600E mutant (unknown origin)
50044965	2	ChEMBL_1444340 (CHEMBL3371771)	Inhibition of human GST-tagged full length B-Raf V600E mutant (unknown origin) using His6-tagged full-length human MEK1 (K97R) substrate and [33P]-gamma-ATP incubated for 120 mins by by filter binding method
50044965	3	ChEMBL_1444344 (CHEMBL3371775)	Activation of of wild type B-raf in human SK-MEL-2 cells assessed as increase in ERK1/2 phosphorylation incubated for 90 mins by Western blotting method
50044965	4	ChEMBL_1444342 (CHEMBL3371773)	Inhibition of B-raf V600E mutant in human A375 cells assessed as reduction in ERK1/2 phosphorylation incubated for 90 mins by Western blotting method
50044966	1	ChEMBL_1444348 (CHEMBL3371779)	Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis
50044966	2	ChEMBL_1444349 (CHEMBL3371780)	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis
50044967	1	ChEMBL_1444359 (CHEMBL3372350)	Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by scintillation counting analysis
50044968	1	ChEMBL_1444367 (CHEMBL3372358)	Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by fluorescence assay
50014316	1	ChEMBL_205578 (CHEMBL812542)	Binding affinity against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells using [125I]- SP radioligand
50014316	2	ChEMBL_205729 (CHEMBL809496)	Inhibition of labeled SP total binding against human Tachykinin receptor 1 expressed in astrocytoma UC11MG cells by the second binding component
50014317	2	ChEMBL_44678 (CHEMBL656551)	Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]IL-8 radioligand
50014317	1	ChEMBL_44673 (CHEMBL656546)	Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]IL-8 radioligand
50014319	3	ChEMBL_147986 (CHEMBL754111)	Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 cell line
50014319	4	ChEMBL_103774 (CHEMBL714754)	Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay
50014319	2	ChEMBL_103774 (CHEMBL714754)	Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay
50044968	2	ChEMBL_1444510 (CHEMBL3374210)	Inhibition of HDAC11 (unknown origin)
50044968	3	ChEMBL_1444509 (CHEMBL3374209)	Inhibition of HDAC4 (unknown origin)
50044968	4	ChEMBL_1444508 (CHEMBL3374208)	Inhibition of HDAC8 (unknown origin)
50044968	5	ChEMBL_1444507 (CHEMBL3374207)	Inhibition of HDAC6 (unknown origin)
50044968	6	ChEMBL_1444506 (CHEMBL3374206)	Inhibition of HDAC3 (unknown origin)
50044968	7	ChEMBL_1444505 (CHEMBL3374205)	Inhibition of HDAC2 (unknown origin)
50044968	8	ChEMBL_1444504 (CHEMBL3374204)	Inhibition of HDAC1 (unknown origin)
50044969	1	ChEMBL_1444880 (CHEMBL3380222)	Inhibition of CuZn-SOD in human erythrocytes
50044970	1	ChEMBL_1444886 (CHEMBL3380228)	Activity at MDR1 (unknown origin) expressed in MDCK-MDR1 cells by Calcein-AM assay
50044970	2	ChEMBL_1444883 (CHEMBL3380225)	Displacement of (+)-[3H]-pentazocine from sigma1 recetor in guinea-pig brain membranes without cerebellum by radioligand binding assay
50014320	4	ChEMBL_148007 (CHEMBL754165)	In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay
50014320	2	ChEMBL_52065 (CHEMBL664805)	Inhibitory activity against cytochrome P450 3A4
50044971	1	ChEMBL_1445065 (CHEMBL3372997)	Agonist activity at human GAL4-PPARdelta ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay
50044971	2	ChEMBL_1445061 (CHEMBL3372993)	Agonist activity at human GAL4-PPARalpha ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay
50044971	3	ChEMBL_1445063 (CHEMBL3372995)	Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay
50044972	1	ChEMBL_1445067 (CHEMBL3372999)	Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay
50044973	3	ChEMBL_1445391 (CHEMBL3379090)	Inhibition of dopamine D2 receptor (unknown origin)
50044974	1	ChEMBL_1445410 (CHEMBL3379109)	Binding affinity to Escherichia coli biotin protein ligase
50044974	2	ChEMBL_1445407 (CHEMBL3379106)	Inhibition of human recombinant HLCS using P67 as substrate after 2 hrs relative to vehicle-treated control
50044975	1	ChEMBL_1445515 (CHEMBL3380972)	Binding affinity to human CB2 receptor
50044975	2	ChEMBL_1445516 (CHEMBL3380973)	Binding affinity to rat CB2 receptor
50044975	3	ChEMBL_1445413 (CHEMBL3379646)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay
50044975	4	ChEMBL_1445415 (CHEMBL3379648)	Agonist activity at human CB1 receptor expressed in Sf9 cells by [35S]-GTPgammaS binding assay
50014321	1	ChEMBL_87886 (CHEMBL698804)	Inhibition of maize histone deacetylase 2
50044976	1	ChEMBL_1446026 (CHEMBL3379139)	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay
50044977	1	ChEMBL_1446032 (CHEMBL3379685)	Inhibition of recombinant N-terminally GST-tagged mTOR (1360 to 2549 aa) (unknown origin) assessed as inhibition of 27BP1 phosphorylation after 90 mins by TR-FRET assay
50044978	1	ChEMBL_1446183 (CHEMBL3371883)	Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells
50044979	1	ChEMBL_1446218 (CHEMBL3372487)	Inhibition of FGFR1 (unknown origin)
50044979	2	ChEMBL_1446217 (CHEMBL3372486)	Inhibition of KDR (unknown origin)
50044979	3	ChEMBL_1446198 (CHEMBL3371898)	Inhibition of GSK3beta (unknown origin) using peptide substrate GS2 assessed as ATP remaining by Kinase-Glo luminescent kinase assay
50044980	1	ChEMBL_1443550 (CHEMBL3378383)	Inhibition of human LDH-A by biochemical assay
50044981	1	ChEMBL_1443570 (CHEMBL3378403)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate by fluorescence assay
50044981	2	ChEMBL_1443566 (CHEMBL3378399)	Inhibition of human recombinant COX2 assessed as inhibition of ADHP to fluorescent resorufin conversion by fluorescence assay
50044981	3	ChEMBL_1443569 (CHEMBL3378402)	Inhibition of human TRPV1 overexpressed in BEAS-2B cells assessed as calcium flux after 30 mins by Fluo-4 AM fluorescence assay
50044982	1	ChEMBL_1443735 (CHEMBL3380855)	Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman's method
50044983	1	ChEMBL_1443743 (CHEMBL3371716)	Inhibition of HIV-1 recombinant reverse transcriptase after 1 hr by streptavidinalkaline phosphatase reporter system
50044984	1	ChEMBL_1443751 (CHEMBL3371724)	Displacement of [3H]paroxetine from mouse SERT in whole brain membrane
50044984	2	ChEMBL_1443747 (CHEMBL3371720)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis
50044984	3	ChEMBL_1443754 (CHEMBL3371727)	Displacement of [3H]RTI-121 from mouse DAT in striatal membranes
50044985	1	ChEMBL_1443756 (CHEMBL3371729)	Inhibition of recombinant human caspase-7 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay
50044985	2	ChEMBL_1443755 (CHEMBL3371728)	Inhibition of recombinant human caspase-3 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay
50044986	1	ChEMBL_1443761 (CHEMBL3371734)	Inhibition of mTOR kinase (unknown origin) after 1 hr by TR-FRET assay
50044986	2	ChEMBL_1443759 (CHEMBL3371732)	Inhibition of PI3K-alpha (unknown origin) using l-alpha-phosphatidylinositol as substrate after 60 mins by luminescence assay
50044987	1	ChEMBL_1443933 (CHEMBL3374773)	Inhibition of human recombinant carbonic anhydrase 3 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	2	ChEMBL_1443932 (CHEMBL3374772)	Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	3	ChEMBL_1443931 (CHEMBL3374771)	Inhibition of human recombinant carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	4	ChEMBL_1443934 (CHEMBL3374774)	Inhibition of human recombinant carbonic anhydrase 4 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	5	ChEMBL_1443935 (CHEMBL3374775)	Inhibition of human recombinant carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	6	ChEMBL_1443936 (CHEMBL3374776)	Inhibition of human recombinant carbonic anhydrase 6 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	7	ChEMBL_1443937 (CHEMBL3374777)	Inhibition of human recombinant carbonic anhydrase 7 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	8	ChEMBL_1443938 (CHEMBL3374778)	Inhibition of human recombinant carbonic anhydrase 9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	9	ChEMBL_1443939 (CHEMBL3374779)	Inhibition of human recombinant carbonic anhydrase 12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	10	ChEMBL_1443940 (CHEMBL3374780)	Inhibition of human recombinant carbonic anhydrase 13 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044987	11	ChEMBL_1443941 (CHEMBL3374781)	Inhibition of human recombinant carbonic anhydrase 14 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50044988	1	ChEMBL_1443957 (CHEMBL3375345)	Inhibition of wild type EGFR (unknown origin) by Z'-Lyte kinase assay
50044989	1	ChEMBL_1443968 (CHEMBL3375356)	Inhibition of Cryptosporidium parvum IMPDH assessed as reduction in NADH production
50044990	1	ChEMBL_1443970 (CHEMBL3375358)	Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP formation by NADH coupled assay
50014329	10	ChEMBL_54219 (CHEMBL884433)	Inhibitory concentration against dihydrofolate reductace enzyme of Pneumocystis carinii
50014329	5	ChEMBL_54434 (CHEMBL883655)	Inhibitory concentration against dihydrofolate reductace enzyme of humans
50014329	3	ChEMBL_55238 (CHEMBL666992)	Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium
50014329	2	ChEMBL_55127 (CHEMBL665453)	Inhibitory concentration against dihydrofolate reductase of rat liver
50014329	14	ChEMBL_54122 (CHEMBL668280)	Inhibitory concentration against dihydrofolate reductase of rat liver
50014329	11	ChEMBL_54228 (CHEMBL880679)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of human origin
50014329	4	ChEMBL_53473 (CHEMBL665598)	Inhibitory concentration against dihydrofolate reductase of Toxoplasma gondii
50014329	9	ChEMBL_54227 (CHEMBL668105)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of bovine origin
50014329	1	ChEMBL_53946 (CHEMBL884438)	Inhibitory concentration against dihydrofolate reductace enzyme of humans
50014329	6	ChEMBL_54217 (CHEMBL668096)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of bovine origin
50014329	15	ChEMBL_54220 (CHEMBL668098)	Inhibitory concentration against dihydrofolate reductace enzyme of humans
50014329	12	ChEMBL_54225 (CHEMBL668103)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of bovine origin
50014329	7	ChEMBL_54118 (CHEMBL668276)	Inhibitory concentration against dihydrofolate reductace enzyme of human
50014329	13	ChEMBL_54226 (CHEMBL668104)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of human origin
50014329	8	ChEMBL_54218 (CHEMBL668097)	Inhibitory concentration against dihydrofolate reductace enzyme of Cryptosporidium parvum of human origin
50044991	1	ChEMBL_1444238 (CHEMBL3380177)	Inhibition of IRAK4 (unknown origin)
50044991	2	ChEMBL_1444383 (CHEMBL3372374)	Inhibition of SYK (unknown origin)
50044991	3	ChEMBL_1444382 (CHEMBL3372373)	Inhibition of IRAK1 (unknown origin)
50044991	4	ChEMBL_1444380 (CHEMBL3372371)	Inhibition of IRAK1 (unknown origin) assessed as reduction in biotin tagged phosphorylated peptide substrate1
50044991	5	ChEMBL_1444378 (CHEMBL3372369)	Inhibition of IRAK4 (unknown origin) by radiochemical assay
50044991	6	ChEMBL_1444377 (CHEMBL3372368)	Inhibition of IRAK1 (unknown origin) by radiochemical assay
50044991	7	ChEMBL_1444247 (CHEMBL3380186)	Inhibition of IRAK4 (unknown origin) by fluorescence polarization based kinase assay
50044991	8	ChEMBL_1444245 (CHEMBL3380184)	Inhibition of IRAK4 (unknown origin) by TR-FRET assay
50044991	9	ChEMBL_1444243 (CHEMBL3380182)	Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay
50044991	10	ChEMBL_1444239 (CHEMBL3380178)	Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay
50014333	1	ChEMBL_35278 (CHEMBL648317)	Binding affinity at Angiotensin II receptor, type 2 in pig uterus myometrial membranes by [125I]-Ang II displacement.
50014333	3	ChEMBL_35275 (CHEMBL648580)	Binding affinity towards Angiotensin II receptor, type 2 was measured through displacement of [125I]-Ang II in pig uterus myometrial membranes
50014333	4	ChEMBL_35276 (CHEMBL648581)	Inhibitory concentration against towards Angiotensin II receptor, type 2 was measured through displacement of [125I]-Ang II in pig uterus myometrial membranes
50044992	1	ChEMBL_1444407 (CHEMBL3372934)	Binding affinity to His-tagged FOXO3a (unknown origin) by SPR analysis
50044993	1	ChEMBL_1444414 (CHEMBL3372941)	Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ concentration by Fluo-4 AM based fluorescence assay
50044994	1	ChEMBL_1444588 (CHEMBL3375407)	Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based complementation immunoassay
50014336	3	ChEMBL_65158 (CHEMBL678359)	In vitro inhibition of human endothelial nitric oxide synthase
50014336	2	ChEMBL_143351 (CHEMBL750652)	In vitro inhibition of human neuronal nitric oxide synthase
50014336	4	ChEMBL_89188 (CHEMBL700506)	In vitro inhibition of human inducible nitric oxide synthase
50014336	1	ChEMBL_143508 (CHEMBL755122)	In vitro inhibition of rat neuronal nitric oxide synthase
50014339	1	ChEBML_38726	Binding affinity for Bcl-xL was assessed by a fluorescence polarization assay using a fluorescently labeled 16-mer Bak-peptide
50014345	1	ChEBML_67364	Binding affinity against human estrogen receptor alpha in competitive binding assay
50014345	2	ChEBML_67681	Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay
50044994	2	ChEMBL_1444589 (CHEMBL3375408)	Agonist activity at human CB1R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based complementation immunoassay
50044994	3	ChEMBL_1444590 (CHEMBL3375409)	Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells
50044994	4	ChEMBL_1444591 (CHEMBL3375410)	Displacement of [3H]CP55940 from human CB1R expressed in CHO cells
50044995	1	ChEMBL_1444754 (CHEMBL3378455)	Inhibition of Caenorhabditis elegans DAO incubated for 10 mins
50044995	2	ChEMBL_1444755 (CHEMBL3378456)	Inhibition of Caenorhabditis elegans DDO1 incubated for 10 mins
50044995	3	ChEMBL_1444756 (CHEMBL3378457)	Inhibition of Caenorhabditis elegans DDO2 incubated for 10 mins
50044995	4	ChEMBL_1444757 (CHEMBL3378458)	Inhibition of Caenorhabditis elegans DDO3 incubated for 10 mins
50044996	1	ChEMBL_1444773 (CHEMBL3378474)	Inverse agonist activity at rat recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50044996	2	ChEMBL_1444785 (CHEMBL3378486)	Displacement of [3H]Astemizole from human ERG channel
50044996	3	ChEMBL_1444786 (CHEMBL3378487)	Inhibition of human ERG channel by patch clamp technique
50044996	4	ChEMBL_1444764 (CHEMBL3378465)	Agonist activity at human recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50044996	5	ChEMBL_1444762 (CHEMBL3378463)	Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50014352	1	ChEBML_100169	Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes
50014353	12	ChEMBL_70713 (CHEMBL685349)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-6-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014353	11	ChEMBL_70406 (CHEMBL680433)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-3-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014353	10	ChEMBL_70251 (CHEMBL682710)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014353	7	ChEMBL_70536 (CHEMBL681093)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-4-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014353	8	ChEMBL_70089 (CHEMBL677035)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014353	9	ChEMBL_70551 (CHEMBL680670)	In vitro inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in L(tk-)cells
50014354	10	ChEMBL_32649 (CHEMBL642144)	Binding affinity towards alpha V-beta1 receptor expressed in HEK293 cells
50014354	9	ChEMBL_32660 (CHEMBL642828)	Binding affinity towards alpha V/beta3 receptor by solid-phase receptor binding assays (SPRA)
50014354	8	ChEMBL_32662 (CHEMBL642830)	Binding affinity towards alpha V-beta5 receptor expressed in HEK293 cells
50014354	6	ChEMBL_215972 (CHEMBL821001)	Binding affinity towards alpha IIb/beta3 integrin by solid-phase receptor binding assay (SPRA)
50014354	7	ChEMBL_32653 (CHEMBL642148)	Binding affinity towards alpha V-beta3 receptor expressed in HEK293 cells
50014355	1	ChEBML_144950	Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus
50044996	6	ChEMBL_1444791 (CHEMBL3379034)	Agonist activity at mouse recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50044996	7	ChEMBL_1444792 (CHEMBL3379035)	Agonist activity at mouse recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50014356	1	ChEBML_104056	Inhibitory potency against MAP kinase kinase 3 (MKK3)
50014357	1	ChEBML_71695	Inhibitory concentration against glucosylceramide synthase in MDCK cell line
50014358	3	ChEBML_31377	Displacement of [3H]NECA from human adenosine A2A receptor in stably transfected CHO cells
50014358	1	ChEBML_31864	Displacement of [3H]NECA from human adenosine A3 receptor in stably transfected HEK cells
50014358	2	ChEBML_27590	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50044996	8	ChEMBL_1444768 (CHEMBL3378469)	Agonist activity at rat recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50014360	1	ChEBML_224214	Inhibition of TNF-alpha-induced VCAM-1 expression
50014367	1	ChEBML_208495	In vitro inhibition of human alpha-thrombin
50014367	2	ChEBML_49146	In vitro inhibition of Coagulation factor X
50014367	3	ChEBML_213081	In vitro inhibition of trypsin
50014368	2	ChEBML_106277	Inhibition of recombinant human matrix metalloprotease-1
50014368	3	ChEBML_207328	Inhibition of recombinant human TNF-alpha converting enzyme
50014368	1	ChEMBL_104877 (CHEMBL709175)	Inhibition of recombinant human matrix metalloprotease-3
50014368	6	ChEBML_104878	Inhibition of recombinant human matrix metalloprotease-3
50014370	1	ChEBML_156336	Inhibition of phosphodiesterase 2
50044996	9	ChEMBL_1444770 (CHEMBL3378471)	Inverse agonist activity at rat recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50044996	10	ChEMBL_1444771 (CHEMBL3378472)	Agonist activity at rat recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method
50014373	4	ChEMBL_196596 (CHEMBL800474)	Transcriptional activation in CV-1 cells expressing Retinoic X receptor alpha
50014377	1	ChEBML_154164	Inhibitory activity against aspartyl protease pepsin
50014378	2	ChEBML_160556	Inhibitory activity against human quiescent cell proline dipeptidase
50014378	1	ChEBML_157475	Inhibitory activity against human prolylendopeptidase
50014378	3	ChEBML_53343	Inhibitory activity against human recombinant Dipeptidylpeptidase IV
50014378	7	ChEMBL_157629 (CHEMBL766926)	Inhibitory activity against human prolyl endopeptidase
50044997	1	ChEMBL_1444939 (CHEMBL3380928)	Inhibition of human recombinant MAO-B by luminescence analysis
50044998	1	ChEMBL_1444971 (CHEMBL3371803)	Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactamase reporter gene assay
50044998	2	ChEMBL_1444972 (CHEMBL3371804)	Agonist activity at GAL4-tagged PPARdelta (unknown origin)
50044998	3	ChEMBL_1444973 (CHEMBL3371805)	Agonist activity at GAL4-tagged PPARgamma (unknown origin)
50044999	1	ChEMBL_1445442 (CHEMBL3379675)	Inhibition of human PDE9A2 using [3H]cGMP as substrate by scintillation proximity assay
50044999	2	ChEMBL_1445441 (CHEMBL3379674)	Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counting analysis
50014378	6	ChEMBL_157474 (CHEMBL765793)	Inhibitory activity against human prolyl endopeptidase
50014378	5	ChEMBL_157475 (CHEMBL765794)	Inhibitory activity against human prolylendopeptidase
50045000	1	ChEMBL_1445462 (CHEMBL3380268)	Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding assay
50014379	1	ChEBML_105142	Inhibitory activity against human methionine aminopeptidase-2
50014379	2	ChEBML_105136	Inhibitory activity against human methionine aminopeptidase-1
50045001	1	ChEMBL_1445717 (CHEMBL3374271)	Inhibition of ABA binding to LANCL2 (unknown origin)
50045002	1	ChEMBL_1445729 (CHEMBL3374866)	Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells
50045002	2	ChEMBL_1445730 (CHEMBL3374867)	Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells
50045002	3	ChEMBL_1445735 (CHEMBL3374872)	Inhibition of CCR3 in human eosinophil assessed as inhibition of eotaxin-induced Ca2+ influx
50045002	4	ChEMBL_1445736 (CHEMBL3374873)	Inhibition of CCR3 in human eosinophil assessed as inhibition of shape change by autofluorescence assay
50045002	5	ChEMBL_1445728 (CHEMBL3374865)	Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells
50045003	1	ChEMBL_1445858 (CHEMBL3376726)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50045003	2	ChEMBL_1445856 (CHEMBL3376724)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50045003	3	ChEMBL_1445864 (CHEMBL3376732)	Antagonist activity at human recombinant adenosine A3 receptor
50045003	4	ChEMBL_1445860 (CHEMBL3376728)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50045004	1	ChEMBL_1445877 (CHEMBL3377304)	Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate by spectrophotometry
50045004	2	ChEMBL_1445879 (CHEMBL3377306)	Inhibition of CDC25B (unknown origin) using pNPP as substrate by spectrophotometry
50045004	3	ChEMBL_1445882 (CHEMBL3377309)	Inhibition of LAR (unknown origin) using pNPP as substrate by spectrophotometry
50045004	4	ChEMBL_1445881 (CHEMBL3377308)	Inhibition of SHP2 (unknown origin) using pNPP as substrate by spectrophotometry
50045004	5	ChEMBL_1445880 (CHEMBL3377307)	Inhibition of SHP1 (unknown origin) using pNPP as substrate by spectrophotometry
50045004	6	ChEMBL_1445878 (CHEMBL3377305)	Inhibition of TC-PTP (unknown origin) using pNPP as substrate by spectrophotometry
50045005	1	ChEMBL_1445901 (CHEMBL3377328)	Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay
50014381	6	ChEBML_90654	Inhibition of IGF-receptor 1 autophosphorylation in intact cells
50014381	7	ChEBML_70635	In vitro inhibition against autophosphorylation of Fibroblast growth factor receptor 2 in the human scirrhous gastric carcinoma cell line
50014381	2	ChEBML_64453	Inhibition of EGF-receptor autophosphorylation in intact cells
50014381	8	ChEMBL_152445 (CHEMBL761270)	Inhibition of PDGF-receptor autophosphorylation in intact cells
50014381	5	ChEBML_216839	Inhibition of c-Met autophosphorylation of in intact cells
50014381	1	ChEBML_214114	Inhibition of vascular endothelial growth factor receptor 2 autophosphorylation in intact cells
50014381	4	ChEBML_216837	Inhibition of c-Kit autophosphorylation in intact cells
50014389	6	ChEBML_44681	Inhibitory activity against human CC chemokine receptor 5
50014389	1	ChEMBL_44682 (CHEMBL656554)	Inhibition of human CX3C chemokine receptor 5 from GP120-membrane-based assay
50014389	3	ChEMBL_44684 (CHEMBL659079)	Inhibitory activity against human Chemokine receptor 5 when co-administered with compound 8f
50014389	4	ChEMBL_44687 (CHEMBL659082)	Inhibitory concentration to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5
50014389	2	ChEMBL_44683 (CHEMBL659078)	Inhibitory activity against human CX3C chemokine receptor 5 when co-administered with compound 8g
50014390	1	ChEBML_44690	Displacement of [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells
50014390	2	ChEMBL_44686 (CHEMBL659081)	Inhibitory concentration of compound to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5
50014391	2	ChEBML_44691	Inhibitory concentration to displace [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells
50014391	6	ChEBML_61513	Inhibitory activity against human dopamine transporter at 10 uM
50014391	5	ChEBML_215107	Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1
50014391	4	ChEBML_61974	Inhibitory activity against human dopamine receptor D3 at 10 uM
50014391	3	ChEMBL_44691 (CHEMBL659086)	Inhibitory concentration to displace [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells
50045005	2	ChEMBL_1445902 (CHEMBL3377329)	Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay
50045006	1	ChEMBL_1446063 (CHEMBL3379716)	Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes preincubated for 10 mins by fluorescence assay
50045006	2	ChEMBL_1446069 (CHEMBL3380296)	Inhibition of human recombinant MDR1 in cell membrane fraction preincubated for 5 mins measured after 40 mins by Pgp-Glo luciferase assay
50045007	1	ChEMBL_1446257 (CHEMBL3373067)	Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay
50045007	2	ChEMBL_1446256 (CHEMBL3373066)	Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay
50045007	3	ChEMBL_1446255 (CHEMBL3373065)	Antagonist activity at rat neurotensin receptor type 2 expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay
50045007	4	ChEMBL_1446253 (CHEMBL3373063)	Agonist activity at rat neurotensin receptor type 2 expressed in CHOK1 cells assessed as increase in calcium release by FLIPR assay
50045008	1	ChEMBL_1443599 (CHEMBL3378971)	Inhibition of human CYP1A2
50045008	2	ChEMBL_1443600 (CHEMBL3378972)	Inhibition of human CYP2C9
50045008	3	ChEMBL_1443601 (CHEMBL3378973)	Inhibition of human CYP2D6
50045008	4	ChEMBL_1443602 (CHEMBL3378974)	Inhibition of human CYP3A4
50045008	5	ChEMBL_1446275 (CHEMBL3373669)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production
50045008	6	ChEMBL_1446274 (CHEMBL3373668)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production
50014397	3	ChEBML_27866	Inhibitory activity against activated protein C was determined
50014397	8	ChEBML_208227	Inhibitory activity against tissue type plasminogen activator was determined
50014397	2	ChEBML_209079	Inhibitory concentration against trypsin was determined
50014397	9	ChEMBL_49138 (CHEMBL661984)	Inhibitory concentration against coagulation factor Xa.
50014397	7	ChEBML_213246	Inhibitory concentration against trypsin was determined
50014397	6	ChEBML_155590	Inhibitory activity against plasmin was determined
50014398	5	ChEBML_212711	Inhibitory activity against trypsin.
50014398	1	ChEBML_27850	Inhibitory activity against activated protein C
50014398	4	ChEBML_155053	Inhibitory activity against plasmin.
50014398	3	ChEBML_208119	Inhibitory activity against thrombin.
50014398	6	ChEBML_208053	Inhibitory activity against tissue type plasminogen activator.
50014398	2	ChEBML_92366	Inhibitory activity against kallikrein
50014399	1	ChEBML_2631	Binding affinity at 5-hydroxytryptamine 2A receptor of rat.
50045009	1	ChEMBL_1443619 (CHEMBL3379516)	Agonist activity at FXR (unknown origin) transfected into african green monkey CV1 cells assessed as ligand-mediated transcription by luciferase reporter/ transient transfection assay
50045009	2	ChEMBL_1443618 (CHEMBL3378990)	Agonist activity at FXR (unknown origin) assessed as ligand-mediated interaction of the SRC1 peptide with protein LBD by FRET assay
50014399	3	ChEBML_33771	Binding affinity at alpha-2 adrenergic receptor of rat.
50045010	1	ChEMBL_1443830 (CHEMBL3372922)	Inhibition of human recombinant SIRT2
50045010	2	ChEMBL_1443974 (CHEMBL3375362)	Inhibition of GST-tagged human recombinant SIRT2 (34 to 356 residues) expressed in Escherichia coli BL21 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 45 mins by fluorimetric analysis
50014399	4	ChEBML_33499	Binding affinity at alpha 2B adrenergic receptor of rat.
50045010	3	ChEMBL_1443975 (CHEMBL3375363)	Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 45 mins by fluorimetric analysis
50045010	4	ChEMBL_1443976 (CHEMBL3375364)	Inhibition of human SIRT1
50045010	5	ChEMBL_1443977 (CHEMBL3375365)	Inhibition of human recombinant SIRT3 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 45 mins by fluorimetric analysis
50045010	6	ChEMBL_1443978 (CHEMBL3375366)	Inhibition of human SIRT3
50014400	2	ChEMBL_2633 (CHEMBL621545)	Binding affinity for 5-hydroxytryptamine 2A serotonin receptor
50045011	1	ChEMBL_1445758 (CHEMBL3375467)	Inhibition of BTK in human Ramos cells assessed as reduction in IgM-induced calcium influx incubated for 20 mins by Fluo-4 dye based fluorescence assay
50014400	3	ChEBML_2626	Binding affinity for 5-hydroxytryptamine 2A receptor
50045011	2	ChEMBL_1445757 (CHEMBL3375466)	Inhibition of BTK (unknown origin) using biotin-labeled peptide substrate incubated for 1 hr by TR-FRET based HTRF kinase assay
50014404	1	ChEBML_105277	Binding affinity towards human melatonin receptor type 1B
50014404	2	ChEBML_104949	Binding affinity towards human melatonin receptor type 1A
50014406	2	ChEMBL_51553 (CHEMBL661226)	Inhibitory activity against ccytochrome P450 2C9
50014406	1	ChEBML_51555	Inhibitory activity against cytochrome P450 2C9
50045012	1	ChEMBL_1445775 (CHEMBL3375484)	Antagonist activity against human GnRH receptor expressed in CHO cells by IP-one HTRF assay
50045013	1	ChEMBL_1445776 (CHEMBL3375485)	Inhibition of human His-tagged OGA using fluorescein mono-beta-D-(2-deoxy-2-A/- acetyl) glucopyranoside as substrate after 60 mins by fluorescence assay
50045013	2	ChEMBL_1445777 (CHEMBL3375486)	Inhibition of OGA in rat B35 cells after 16 hrs
50045014	1	ChEMBL_1445790 (CHEMBL3375499)	Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis
50045014	2	ChEMBL_1445931 (CHEMBL3377915)	Binding affinity to NK1 receptor (unknown origin)
50045015	1	ChEMBL_1445951 (CHEMBL3377935)	Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose and 4% HSA
50045015	2	ChEMBL_1445934 (CHEMBL3377918)	Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose
50014408	3	ChEBML_40066	In vitro inhibitory activity against CD45 protein-tyrosine phosphatase
50014408	5	ChEMBL_40066 (CHEMBL655662)	In vitro inhibitory activity against CD45 protein-tyrosine phosphatase
50045016	1	ChEMBL_1446101 (CHEMBL3380328)	Inhibition of MCL1 (unknown origin)
50045016	2	ChEMBL_1445981 (CHEMBL3378543)	Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assay
50045016	3	ChEMBL_1445979 (CHEMBL3378541)	Binding affinity to human MCL1 (173 to 329 aa) by isothermal titration calorimetry
50045016	4	ChEMBL_1445980 (CHEMBL3378542)	Binding affinity to human MCL1 (173 to 329 aa) by 19F NMR spectroscopy
50014409	1	ChEBML_207132	Inhibitory activity against T cell protein tyrosine phosphatase
50014409	3	ChEBML_40067	Inhibitory activity against CD45 protein-tyrosine phosphatase
50045017	1	ChEMBL_1446103 (CHEMBL3380330)	Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045017	2	ChEMBL_1446124 (CHEMBL3381004)	Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay
50045017	3	ChEMBL_1446122 (CHEMBL3381002)	Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay
50045017	4	ChEMBL_1446121 (CHEMBL3381001)	Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay
50045017	5	ChEMBL_1446120 (CHEMBL3381000)	Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay
50045017	6	ChEMBL_1446118 (CHEMBL3380998)	Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay
50045017	7	ChEMBL_1446116 (CHEMBL3380996)	Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045017	8	ChEMBL_1446114 (CHEMBL3380994)	Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045017	9	ChEMBL_1446112 (CHEMBL3380992)	Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045017	10	ChEMBL_1446110 (CHEMBL3380990)	Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045017	11	ChEMBL_1446109 (CHEMBL3380989)	Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells
50045017	12	ChEMBL_1446312 (CHEMBL3374278)	Inhibition of human ERG by patch clamp assay
50045017	13	ChEMBL_1446311 (CHEMBL3373705)	Displacement of [3H]astemizole from human ERG
50045017	14	ChEMBL_1446307 (CHEMBL3373701)	Binding affinity to human adenosine A3 receptor
50045017	15	ChEMBL_1446306 (CHEMBL3373700)	Inhibition of CYP2C19 (unknown origin)
50045017	16	ChEMBL_1446305 (CHEMBL3373699)	Inhibition of CYP1A2 (unknown origin)
50014412	1	ChEBML_91709	Increased outward current at -40 mV mediated by mouse KCNQ2 channel expressed in Xenopus laevis oocytes
50014413	3	ChEMBL_39491 (CHEMBL656316)	Inhibition of MDC-stimulated chemotaxis in transfected murine cell line expressing human chemokine receptor 4
50045017	17	ChEMBL_1446304 (CHEMBL3373698)	Inhibition of CYP2C9 (unknown origin)
50045017	18	ChEMBL_1446303 (CHEMBL3373697)	Inhibition of CYP2D6 (unknown origin)
50045017	19	ChEMBL_1446302 (CHEMBL3373696)	Inhibition of CYP3A4 (unknown origin)
50014413	2	ChEMBL_49856 (CHEMBL660820)	Inhibitory activity against [125I]MDC binding to human Chemokine receptor type 4 expressed in murine pre-B cells
50045018	1	ChEMBL_1446327 (CHEMBL3374293)	Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production
50014418	3	ChEBML_39489	Inhibitory concentration against C-C chemokine receptor type 3 using human [125I]eotaxin.
50014418	1	ChEBML_2453	Inhibition of [125I]-eotaxin binding to serotonin 5-hydroxytryptamine 2A receptor
50014418	2	ChEMBL_2445 (CHEMBL617334)	Binding affinity against serotonin 5-hydroxytryptamine 2A receptor was determined using human [125I]-eotaxin
50014420	4	ChEBML_158328	Binding affinity was determined against prostanoid EP3 receptor
50014420	5	ChEBML_158313	Binding affinity was determined against prostanoid EP2 receptor
50014420	1	ChEBML_158297	Binding affinity was determined against prostanoid EP1 receptor
50045018	2	ChEMBL_1446329 (CHEMBL3374295)	Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by fluorescence assay
50045018	3	ChEMBL_1446325 (CHEMBL3374291)	Displacement of RU-486 from GR (unknown origin) by fluorescence polarization assay
50014422	4	ChEBML_54043	Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form
50014422	7	ChEMBL_54043 (CHEMBL669815)	Inhibitory concentration against relaxation activity of DNA topoisomerase I by detecting the conversion of supercoiled pBR322 DNA to its relaxed form
50014423	1	ChEBML_49031	Inhibitory concentration to human cell division cycle 25B (Cdc25B)
50014424	10	ChEMBL_70087 (CHEMBL677033)	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2 expressed in L(tk) cells by [3H]Ro-151788 displacement.
50014424	8	ChEMBL_70403 (CHEMBL680430)	Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2 expressed in L(tk) cells by [3H]Ro-151788 displacement.
50014424	3	ChEBML_68401	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha2 subunit expressed in L(tk) cells
50014424	2	ChEBML_68415	Displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha5 subunit expressed in L(tk) cells
50014424	9	ChEMBL_70086 (CHEMBL677032)	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha-1-beta-3-gamma-2 subunits expressed in L(tk) cells
50014424	5	ChEBML_32535	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha4 subunit expressed in L(tk) cells
50014424	1	ChEBML_68403	Displacement of [3H]Ro-151788 from human GABA-A receptor alpha6 subunit expressed in L(tk) cells
50014425	1	ChEBML_159754	In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus
50045018	4	ChEMBL_1446326 (CHEMBL3374292)	Displacement of tetramethylrhodamine-labeled dexamethasone from PR (unknown origin) by fluorescence polarization assay
50014429	1	ChEBML_690	In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in human CYP3A4 assay
50045018	5	ChEMBL_1446331 (CHEMBL3374297)	Inhibition of human ERG channel expressed in recombinant HEK293 cells by whole cell patch-clamp technique
50014432	1	ChEBML_159871	Inhibition of transcriptional activation in cells expressing progesterone receptor isoform B
50014436	1	ChEBML_88047	Inhibition of human recombinant hormone sensitive lipase.
50045018	6	ChEMBL_1446333 (CHEMBL3374299)	Displacement of RU-486 from MR (unknown origin) by fluorescence polarization assay
50014443	1	ChEBML_139762	Binding affinity against cloned human muscarinic acetylcholine receptor M2.
50014444	1	ChEBML_71583	Inhibitory concentration against binding of [125I]buserelin to human Gonadotropin-releasing hormone receptor
50045018	7	ChEMBL_1446336 (CHEMBL3374302)	Inhibition of CYP1A2 (unknown origin)
50045018	8	ChEMBL_1446337 (CHEMBL3374303)	Inhibition of CYP2D6 (unknown origin)
50045018	9	ChEMBL_1446338 (CHEMBL3374304)	Inhibition of CYP2C9 (unknown origin)
50045018	10	ChEMBL_1446339 (CHEMBL3374305)	Inhibition of CYP2C19 (unknown origin)
50045018	11	ChEMBL_1446342 (CHEMBL3374308)	Agonist activity at GR in mouse RAW cells assessed as suppression of TNF-alpha-induced IL-6 production
50045019	1	ChEMBL_1443662 (CHEMBL3380135)	Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition by Caliper assay
50045020	1	ChEMBL_1443667 (CHEMBL3380140)	Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay
50045020	2	ChEMBL_1443665 (CHEMBL3380138)	Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
50014445	9	ChEMBL_60022 (CHEMBL675847)	Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal membranes
50045020	3	ChEMBL_1443669 (CHEMBL3380142)	Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay
50045020	4	ChEMBL_1443670 (CHEMBL3380143)	Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay
50045020	5	ChEMBL_1443671 (CHEMBL3380144)	Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay
50045020	6	ChEMBL_1443673 (CHEMBL3380146)	Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay
50045020	7	ChEMBL_1443684 (CHEMBL3380157)	Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045020	8	ChEMBL_1443686 (CHEMBL3380159)	Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045020	9	ChEMBL_1443688 (CHEMBL3380161)	Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045020	10	ChEMBL_1443690 (CHEMBL3380163)	Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
50045020	11	ChEMBL_1443694 (CHEMBL3380167)	Inhibition of CYP2C9 (unknown origin)
50045020	12	ChEMBL_1443695 (CHEMBL3380168)	Inhibition of CYP3A4 (unknown origin)
50045020	13	ChEMBL_1443696 (CHEMBL3380169)	Inhibition of CYP2D6 (unknown origin)
50045020	14	ChEMBL_1443697 (CHEMBL3380170)	Inhibition of CYP1A2 (unknown origin)
50045020	15	ChEMBL_1443698 (CHEMBL3380171)	Inhibition of CYP2C19 (unknown origin)
50014448	1	ChEBML_55118	Inhibitory activity against rat dihydrofolate reductase
50045021	1	ChEMBL_1443718 (CHEMBL3380838)	Inhibition of human coagulation factor 11a pre-incubated for 15 mins before substrate S2366 addition and measured after 2 hrs post substrate addition
50045022	1	ChEMBL_1443721 (CHEMBL3380841)	Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader
50045022	2	ChEMBL_1443723 (CHEMBL3380843)	Inhibition of human Thrombin using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader
50045022	3	ChEMBL_1443724 (CHEMBL3380844)	Inhibition of human Trypsin using S-2238 chromogenic substrate assessed as hydrolysis by microplate reader
50045023	1	ChEMBL_1443856 (CHEMBL3373530)	Inhibition of HIV-1 integrase strand transfer activity
50045024	1	ChEMBL_1443869 (CHEMBL3373543)	Inhibition of bovine brain tubulin polymerization
50045025	1	ChEMBL_1443870 (CHEMBL3373544)	Inhibition of MAP2K7 (unknown origin) using unphosphorylated GST-tagged JNK1 substrate protein assessed as phosphorylation by ELISA
50045025	2	ChEMBL_1443873 (CHEMBL3374134)	Inhibition of TAK1 (unknown origin) using unphosphorylated GST-tagged MAP2K7 substrate protein assessed as phosphorylation by ELISA
50045025	3	ChEMBL_1443872 (CHEMBL3373546)	Inhibition of ERK2 (unknown origin) using FITC-labeled substrate peptide assessed as phosphorylation
50045025	4	ChEMBL_1443871 (CHEMBL3373545)	Inhibition of MAP2K1 (unknown origin) using unphosphorylated GST-tagged ERK2 substrate protein assessed as phosphorylation by ELISA
50045026	1	ChEMBL_1443874 (CHEMBL3374135)	Inhibition of PDE7A (unknown origin)
50045026	2	ChEMBL_1443875 (CHEMBL3374136)	Inhibition of PDE4B (unknown origin)
50045026	3	ChEMBL_1443878 (CHEMBL3374139)	Inhibition of PDE3A (unknown origin)
50045026	4	ChEMBL_1443879 (CHEMBL3374140)	Inhibition of PDE5A (unknown origin)
50045027	1	ChEMBL_1443882 (CHEMBL3374143)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
50045027	2	ChEMBL_1443880 (CHEMBL3374141)	Inhibition of c-Met (unknown origin)
50045028	1	ChEMBL_1444097 (CHEMBL3377805)	Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells using p-tyramine substrate assessed as reduction in H2O2 production
50045028	2	ChEMBL_1444099 (CHEMBL3377807)	Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells using p-tyramine substrate assessed as reduction in H2O2 production
50045029	1	ChEMBL_1444262 (CHEMBL3380201)	Inhibition of AChE (unknown origin) assessed as reduction in acetylthiocholine iodide hydrolysis after 15 mins by Ellman method
50045029	2	ChEMBL_1444265 (CHEMBL3380204)	Inhibition of BuChE (unknown origin) assessed as reduction in S-butyrylthiocholine chloride hydrolysis after 15 mins by Ellman method
50045030	1	ChEMBL_1444279 (CHEMBL3380862)	Inhibition of recombinant BACE1 (unknown origin)
50045030	2	ChEMBL_1444277 (CHEMBL3380860)	Inhibition of memapsin 1 (unknown origin)
50045030	3	ChEMBL_1444278 (CHEMBL3380861)	Inhibition of Cathepsin D (unknown origin)
50045031	1	ChEMBL_1444281 (CHEMBL3380864)	Negative allosteric modulation of human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo4AM staining-based fluorescence assay
50045031	2	ChEMBL_1444284 (CHEMBL3380867)	Negative allosteric modulation of rat muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo4AM staining-based fluorescence assay
50045032	1	ChEMBL_1444456 (CHEMBL3373564)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins
50045032	2	ChEMBL_1444455 (CHEMBL3373563)	Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in HEK293 cell membranes cells by SPA
50045032	3	ChEMBL_1444454 (CHEMBL3373562)	Displacement of [3H]-WIN-55,212-2 from human CB2 receptor expressed in HEK293 cell membranes cells by SPA
50045032	4	ChEMBL_1444457 (CHEMBL3373565)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins
50045032	5	ChEMBL_1444465 (CHEMBL3373573)	Inhibition of CYP2C19 (unknown origin)
50045032	6	ChEMBL_1444466 (CHEMBL3373574)	Inhibition of CYP2D6 (unknown origin)
50014462	1	ChEMBL_71707 (CHEMBL680921)	In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay
50014467	3	ChEMBL_69648 (CHEMBL681841)	Binding affinity for human GABA-A receptor alpha-2-beta-3-gamma-2 subunits in L(tk-) cells
50014467	4	ChEMBL_69792 (CHEMBL678741)	Binding affinity for human GABA-A receptor alpha-3-beta-3-gamma-2 subunits in L(tk-) cells
50014467	1	ChEMBL_69797 (CHEMBL678745)	Binding affinity for human GABA-A receptor alpha-5-beta-3-gamma-2 subunits in L(tk-) cells
50014467	2	ChEMBL_69638 (CHEMBL676826)	Binding affinity for human GABA-A receptor alpha-4-beta-3-gamma-2 subunits in L(tk-) cells
50045032	7	ChEMBL_1444462 (CHEMBL3373570)	Inhibition of CYP3A4 (unknown origin)
50045032	8	ChEMBL_1444463 (CHEMBL3373571)	Inhibition of CYP2C8 (unknown origin)
50045032	9	ChEMBL_1444464 (CHEMBL3373572)	Inhibition of CYP2C9 (unknown origin)
50045033	1	ChEMBL_1444488 (CHEMBL3374188)	Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay
50045033	2	ChEMBL_1444487 (CHEMBL3374187)	Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay
50014475	4	ChEMBL_146115 (CHEMBL754584)	Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells
50014475	3	ChEMBL_148096 (CHEMBL751578)	Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells
50014475	2	ChEMBL_145240 (CHEMBL755691)	Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells
50024284	1	ChEMBL_548295 (CHEMBL1028365)	Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitation
50024288	1	ChEMBL_548549 (CHEMBL1030939)	Inhibition of mushroom tyrosinase by spectrophotometry
50045033	3	ChEMBL_1444490 (CHEMBL3374190)	Displacement of of [125I]-IABN from human D4 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay
50045033	4	ChEMBL_1444492 (CHEMBL3374192)	Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay
50045034	1	ChEMBL_1444620 (CHEMBL3376039)	Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis
50045034	2	ChEMBL_1444621 (CHEMBL3376040)	Inhibition of human HDAC3 using RHKK(Ac) as substrate by fluorimetric analysis
50045034	3	ChEMBL_1444622 (CHEMBL3376041)	Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis
50045034	4	ChEMBL_1444623 (CHEMBL3376042)	Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis
50045034	5	ChEMBL_1444624 (CHEMBL3376043)	Inhibition of human HDAC10 using RHKK(Ac) as substrate by fluorimetric analysis
50045034	6	ChEMBL_1444625 (CHEMBL3376044)	Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis
50045034	7	ChEMBL_1444619 (CHEMBL3376038)	Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis
50045035	1	ChEMBL_1444641 (CHEMBL3376639)	Inhibition of human recombinant Cathepsin B using fluorogenic peptide substrate
50045035	2	ChEMBL_1444645 (CHEMBL3376643)	Inhibition of human recombinant Cathepsin S using fluorogenic peptide substrate
50045035	3	ChEMBL_1444644 (CHEMBL3376642)	Inhibition of human recombinant Cathepsin L using fluorogenic peptide substrate
50045035	4	ChEMBL_1444643 (CHEMBL3376641)	Inhibition of human recombinant Cathepsin K using fluorogenic peptide substrate
50045035	5	ChEMBL_1444642 (CHEMBL3376640)	Inhibition of human recombinant Cathepsin C using fluorogenic peptide substrate
50014481	5	ChEMBL_177560 (CHEMBL784318)	Inhibitory activity against nAChR mediated nicotine-evoked [3H]DA overflow using rat striatal slices
50014481	1	ChEBML_144198	Inhibition of [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 in rat brain
50014481	2	ChEBML_49276	Binding affinity towards blood brain barrier choline transporter at 10 uM using rat brain
50014481	6	ChEMBL_143866 (CHEMBL751222)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat brain
50014482	1	ChEBML_143888	Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in cultured hippocampal neurons
50045036	1	ChEMBL_1444650 (CHEMBL3376648)	Inhibition of PIM3 (unknown origin)
50014483	33	ChEMBL_143402 (CHEMBL752657)	Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in Xenopus oocytes
50014483	27	ChEMBL_143251 (CHEMBL752539)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014483	30	ChEMBL_143861 (CHEMBL748865)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes
50014483	7	ChEBML_144185	Inhibition of [125I]MLA binding to Nicotinic acetylcholine receptor alpha7 from rat brain membranes
50014483	45	ChEMBL_223089 (CHEMBL841332)	Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes from ref 18
50014483	34	ChEMBL_143864 (CHEMBL750613)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes
50014483	32	ChEMBL_143226 (CHEMBL750087)	Binding affinity towards rat alpha2-beta2 neuronal nAChR expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014483	28	ChEMBL_143860 (CHEMBL748864)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes
50014483	31	ChEMBL_143721 (CHEMBL753472)	Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes
50014483	49	ChEMBL_223088 (CHEMBL841331)	Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes from ref 15
50014483	29	ChEMBL_144014 (CHEMBL750429)	Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes
50014483	48	ChEMBL_223087 (CHEMBL841330)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes from ref 15
50014483	46	ChEMBL_143854 (CHEMBL747211)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014483	37	ChEMBL_144017 (CHEMBL750432)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014483	5	ChEMBL_144185 (CHEMBL749306)	Inhibition of [125I]MLA binding to Nicotinic acetylcholine receptor alpha7 from rat brain membranes
50014483	40	ChEMBL_223090 (CHEMBL841333)	inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes from ref 18
50014483	47	ChEMBL_143873 (CHEMBL751229)	[3H](+/-)-epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes
50014483	42	ChEMBL_143871 (CHEMBL751227)	Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes from ref 16
50014483	38	ChEMBL_143863 (CHEMBL750612)	Inhibition of [3H]epibatidine binding to alpha4-beta2 nACh receptor from rat membranes from ref 16
50014483	50	ChEMBL_143859 (CHEMBL748863)	Inhibition of [125I]-analogue binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes
50014483	43	ChEMBL_143872 (CHEMBL751228)	Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes
50014483	36	ChEMBL_143862 (CHEMBL748866)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes from ref 16
50014483	39	ChEMBL_143407 (CHEMBL752661)	Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in Xenopus oocytes using [3H]epibatidine as radioligand
50014483	35	ChEMBL_143865 (CHEMBL750614)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 from rat membranes from ref 14
50014483	44	ChEMBL_143870 (CHEMBL751226)	Inhibition of [3H]nicotine binding to alpha4-beta2 nACh receptor from rat membranes from ref 14
50045036	2	ChEMBL_1444648 (CHEMBL3376646)	Inhibition of PIM1 (unknown origin)
50045036	3	ChEMBL_1444649 (CHEMBL3376647)	Inhibition of PIM2 (unknown origin)
50014487	1	ChEBML_32526	Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]gabapentin in human brain membrane (A710 membrane)
50045037	1	ChEMBL_1444652 (CHEMBL3376650)	Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50045037	2	ChEMBL_1444651 (CHEMBL3376649)	Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50014491	1	ChEBML_201951	Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli
50045037	3	ChEMBL_1444655 (CHEMBL3376653)	Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP accumulation
50045037	4	ChEMBL_1444656 (CHEMBL3376654)	Agonist activity at rat CB1 receptor assessed as inhibition of forskolin-induced cAMP accumulation
50045037	5	ChEMBL_1444658 (CHEMBL3376656)	Inhibition of human CYP3A4
50045037	6	ChEMBL_1444659 (CHEMBL3376657)	Inhibition of human CYP2C9
50045037	7	ChEMBL_1444660 (CHEMBL3376658)	Inhibition of human CYP2D6
50045037	8	ChEMBL_1444661 (CHEMBL3376659)	Inhibition of human CYP2C19
50045038	1	ChEMBL_1444672 (CHEMBL3376670)	Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay
50045038	2	ChEMBL_1444671 (CHEMBL3376669)	Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay
50045038	3	ChEMBL_1444677 (CHEMBL3376675)	Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay
50045038	4	ChEMBL_1444678 (CHEMBL3377240)	Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay
50014494	1	ChEBML_157991	In vitro inhibitory activity against prostaglandin G/H synthase 2 from ovine
50045038	5	ChEMBL_1444679 (CHEMBL3377241)	Inhibition of human PI3KCgamma by non-radiometric ADP-Glo assay
50045038	6	ChEMBL_1444680 (CHEMBL3377242)	Inhibition of human mTOR by non-radiometric ADP-Glo assay
50045038	7	ChEMBL_1444681 (CHEMBL3377243)	Inhibition of human DNA-PK by non-radiometric ADP-Glo assay
50045039	1	ChEMBL_1444682 (CHEMBL3377244)	Inhibition of Mps1 (unknown origin) activity by TR-FRET assay
50045040	1	ChEMBL_1444683 (CHEMBL3377245)	Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay
50045041	1	ChEMBL_1444684 (CHEMBL3377246)	Inhibition of DLK (unknown origin) by RT-FRET assay
50045043	1	ChEMBL_1444803 (CHEMBL3379046)	Inhibition of PI3Kdelta (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay
50045043	2	ChEMBL_1444804 (CHEMBL3379047)	Inhibition of PI3Kgamma (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay
50045043	3	ChEMBL_1444688 (CHEMBL3377250)	Inhibition of PI3Kalpha (unknown origin) by TR-FRET assay
50045043	4	ChEMBL_1444800 (CHEMBL3379043)	Inhibition of PI3Kdelta (unknown origin) by TR-FRET assay
50045043	5	ChEMBL_1444801 (CHEMBL3379044)	Inhibition of PI3Kgamma (unknown origin) by TR-FRET assay
50045043	6	ChEMBL_1444802 (CHEMBL3379045)	Inhibition of PI3Kalpha (unknown origin) assessed as PI3Kalpha-mediated Akt1/2 (S473) phosphorylation rate by cellular assay
50014501	1	ChEBML_68901	Inhibitory activity against gamma-secretase
50014502	1	ChEBML_91716	Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV
50014503	1	ChEBML_31117	Inhibitory activity against human adenosine kinase expressed in Escherichia coli
50045044	1	ChEMBL_1444806 (CHEMBL3379049)	Inhibition of human recombinant PAK1 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay
50045044	2	ChEMBL_1444805 (CHEMBL3379048)	Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay
50045045	1	ChEMBL_1444807 (CHEMBL3379050)	Inhibition of SGK1 (unknown origin) assessed as substrate phosphorylation
50045045	2	ChEMBL_1444808 (CHEMBL3379051)	Inhibition of recombinant SGK1 (unknown origin) expressed in U2OS cells by cellular activity assay
50045046	2	ChEMBL_1444809 (CHEMBL3379052)	Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay
50014508	1	ChEMBL_96917 (CHEMBL707896)	Inhibitory concentration was evaluated for Irreversible Inhibition of Schistosoma mansoni Legumain
50014509	1	ChEMBL_77299 (CHEMBL687228)	Inhibitory concentration against HCMV protease.
50045047	1	ChEMBL_1444811 (CHEMBL3379054)	Inhibition of BTK (unknown origin) by Omnia continuous read kinase assay
50045048	1	ChEMBL_1444812 (CHEMBL3379055)	Inhibition of MELK kinase (unknown origin) using biotinylated ZIP-tide peptide/gamma[33P]ATP by scintillation counting analysis
50045048	2	ChEMBL_1444824 (CHEMBL3379067)	Inhibition of MLCK (unknown origin) by Millipore kinase analysis
50045048	3	ChEMBL_1444822 (CHEMBL3379065)	Inhibition of CAMK2gamma (unknown origin) by Millipore kinase analysis
50045048	4	ChEMBL_1444820 (CHEMBL3379063)	Inhibition of Mnk2 (unknown origin) by Millipore kinase analysis
50045048	5	ChEMBL_1444818 (CHEMBL3379061)	Inhibition of CAMK2delta (unknown origin) by Millipore kinase analysis
50045048	6	ChEMBL_1444816 (CHEMBL3379059)	Inhibition of Flt3 (unknown origin) by Millipore kinase analysis
50014510	1	ChEMBL_34190 (CHEMBL649207)	Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen
50014510	3	ChEMBL_34031 (CHEMBL646170)	In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]prazosin in epididymal rat vas deferens.
50014510	4	ChEMBL_924 (CHEMBL615772)	Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]8-OH-DPAT) as radioligand
50014510	2	ChEMBL_32721 (CHEMBL645993)	Binding affinity to the adrenergic receptor alpha-1D of rat aorta
50014511	3	ChEMBL_106135 (CHEMBL872563)	Inhibition of human recombinant matrix metalloprotease 1
50045048	7	ChEMBL_1444814 (CHEMBL3379057)	Inhibition of MELK kinase (unknown origin) using KKLNRTLSFAEPG/gamma[33P]ATP by Millipore kinase/scintillation counting analysis
50014511	4	ChEMBL_104746 (CHEMBL710746)	Inhibition of human recombinant matrix metalloprotease 3
50014511	1	ChEMBL_63601 (CHEMBL675248)	Inhibition of heparin-binding HB-EGF shedding
50045049	1	ChEMBL_1444835 (CHEMBL3379605)	Inhibition of MELK (unknown origin) using Biotin-KKLNRTLSFAEPG substrate by Astex/scintillation counting analysis
50045049	2	ChEMBL_1444838 (CHEMBL3379608)	Inhibition of MELK (unknown origin)
50014512	2	ChEMBL_224029 (CHEMBL840572)	Rises in intracellular [Ca2+] levels by using [Ca2+] sensitive Fluo4 dye in C-C chemokine receptor type 5-transfected CHO cells.
50014512	5	ChEMBL_39497 (CHEMBL656492)	Antagonistic activity against monkey C-C chemokine receptor type 5.
50014512	7	ChEMBL_39506 (CHEMBL654035)	Antagonistic activity against human C-C chemokine receptor type 5.
50014512	6	ChEMBL_224234 (CHEMBL844887)	Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
50014512	3	ChEMBL_224239 (CHEMBL842384)	Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells oractivated human peripheral blood lymphocytes
50014512	1	ChEMBL_39640 (CHEMBL649946)	Antagonistic activity against human C-C chemokine receptor type 5
50014512	4	ChEMBL_224237 (CHEMBL844890)	Migration of compound was evaluated in cell migration assay with C-C chemokine receptor type 5-transfected L1.2 cells or activated human peripheral blood lymphocytes
50014513	1	ChEMBL_214322 (CHEMBL818350)	Effective concentration required for inhibition of Vitamin D3 receptor
50045049	3	ChEMBL_1444836 (CHEMBL3379606)	Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis
50045049	4	ChEMBL_1444840 (CHEMBL3379610)	Inhibition of Flt1 (unknown origin)
50045049	5	ChEMBL_1444842 (CHEMBL3379612)	Inhibition of RET (unknown origin)
50045049	6	ChEMBL_1444844 (CHEMBL3379614)	Inhibition of Flt4 (unknown origin)
50045049	7	ChEMBL_1444846 (CHEMBL3379616)	Inhibition of NTRK2 (unknown origin)
50045049	8	ChEMBL_1444848 (CHEMBL3379618)	Inhibition of CSF1R (unknown origin)
50045049	9	ChEMBL_1444850 (CHEMBL3379620)	Inhibition of Yes1 (unknown origin)
50045049	10	ChEMBL_1444852 (CHEMBL3379622)	Inhibition of DDR2 (unknown origin)
50045049	11	ChEMBL_1444854 (CHEMBL3379624)	Inhibition of Flt3 (unknown origin)
50045049	12	ChEMBL_1444856 (CHEMBL3379626)	Inhibition of FGFR1 (unknown origin)
50045050	1	ChEMBL_1444858 (CHEMBL3379628)	Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay
50045050	2	ChEMBL_1444859 (CHEMBL3379629)	Inhibition of ATM (unknown origin) using p53-Q10-K17 peptide substrate by alphascreen assay
50045050	3	ChEMBL_1444860 (CHEMBL3379630)	Inhibition of DNA-PK (unknown origin) using GGGGMEEPQSDPSVEPPLSQETFSDLWKLLPE peptide substrate by alphascreen assay
50045050	4	ChEMBL_1444861 (CHEMBL3379631)	Inhibition of mTOR (unknown origin) by alphascreen SureFire p70 S6K (p-Thr389) assay
50045050	5	ChEMBL_1444862 (CHEMBL3379632)	Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay
50045050	6	ChEMBL_1444863 (CHEMBL3379633)	Inhibition of human ERG by automated whole cell electrophysiology
50014517	9	ChEMBL_197411 (CHEMBL799800)	Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid
50014517	8	ChEMBL_196473 (CHEMBL799784)	Effective concentration for Retinoid X receptor alpha activity in CV-1 cells
50014517	7	ChEMBL_197387 (CHEMBL799706)	Effective concentration for Retinoic acid receptor alpha activity in CV-1 cells
50045050	7	ChEMBL_1444868 (CHEMBL3379638)	Inhibition of PI3Kalpha (unknown origin)
50014517	3	ChEMBL_196476 (CHEMBL799787)	Effective concentration for lipogenesis induced by retinoid X receptor alpha in C3H10T1/2 clone 8 fibroblast cells
50014517	2	ChEMBL_197389 (CHEMBL799708)	Effective concentration for retinoic acid receptor alpha induced lipogenesis in C3H10T1/2 clone 8 fibroblast cells
50014517	4	ChEMBL_196486 (CHEMBL798300)	Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid
50014517	5	ChEMBL_196478 (CHEMBL798292)	Effective concentration for lipogenesis induced by retinoid X receptor alpha in C3H10T1/2 clone 8 fibroblast cells; Partial agonist
50014517	1	ChEMBL_196475 (CHEMBL799786)	Effective concentration for Retinoid X receptor alpha activity in CV-1 cells; Partial agonist
50045051	1	ChEMBL_1444992 (CHEMBL3372400)	Inhibition of PI3Kalpha (unknown origin)
50014517	6	ChEMBL_197403 (CHEMBL884539)	Inhibitory concentration for lipogenesis induced by retinoic acid receptor alpha in C3H10T1/2 clone 8 fibroblast cells
50045051	2	ChEMBL_1444991 (CHEMBL3372399)	Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at Ser345 after 4 hrs
50045051	3	ChEMBL_1444990 (CHEMBL3372398)	Inhibition of human ATR using ATP substrate measured after 3 hrs
50014519	4	ChEMBL_70162 (CHEMBL683382)	Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)
50014519	1	ChEMBL_90326 (CHEMBL699169)	Inhibition of platelet aggregation induced by 20 uM adenosine 5-diphosphate (ADP) in citreated human platelet rich plasma (h-PRP)
50014519	5	ChEMBL_214628 (CHEMBL819708)	Inhibition of vitronectin binding to Vitronectin receptor (alpha V beta 3)
50045051	4	ChEMBL_1445007 (CHEMBL3372415)	Inhibition of human ERG channel by dofetilide binding assay
50045051	5	ChEMBL_1445008 (CHEMBL3372416)	Inhibition of CYP3A4 (unknown origin)
50045051	6	ChEMBL_1445009 (CHEMBL3372417)	Inhibition of CYP2D6 (unknown origin)
50045051	7	ChEMBL_1445010 (CHEMBL3372418)	Inhibition of CYP2C9 (unknown origin)
50045051	8	ChEMBL_1445011 (CHEMBL3372419)	Inhibition of CYP1A2 (unknown origin)
50045051	9	ChEMBL_1445016 (CHEMBL3372424)	Inhibition of mTOR (unknown origin)
50045051	10	ChEMBL_1445018 (CHEMBL3372426)	Inhibition of ATM (unknown origin)
50045051	11	ChEMBL_1445019 (CHEMBL3372427)	Inhibition of DNAPK (unknown origin)
50045052	1	ChEMBL_1445039 (CHEMBL3372971)	Inhibition of CDK2 (unknown origin) in presence of 1 mM ATP
50045052	2	ChEMBL_1445038 (CHEMBL3372970)	Inhibition of CDK1 (unknown origin) in presence of 1 mM ATP
50045052	3	ChEMBL_1445037 (CHEMBL3372969)	Inhibition of MAP4K5 (unknown origin) in presence of 1 mM ATP
50045052	4	ChEMBL_1445036 (CHEMBL3372968)	Inhibition of MAP4K2 (unknown origin) in presence of 1 mM ATP
50045052	5	ChEMBL_1445035 (CHEMBL3372967)	Inhibition of MAP4K4 (unknown origin) in presence of 1 mM ATP
50045052	6	ChEMBL_1445034 (CHEMBL3372966)	Inhibition of MST2 (unknown origin) in presence of 1 mM ATP
50045052	7	ChEMBL_1445033 (CHEMBL3372441)	Inhibition of MST1 (unknown origin) in presence of 1 mM ATP
50045052	8	ChEMBL_1445032 (CHEMBL3372440)	Inhibition of PDK1 (unknown origin) in presence of 1 mM ATP
50045052	9	ChEMBL_1445030 (CHEMBL3372438)	Inhibition of PKCalpha (unknown origin) in presence of 1 mM ATP
50045052	10	ChEMBL_1445029 (CHEMBL3372437)	Inhibition of Rock2 (unknown origin) in presence of 1 mM ATP
50045052	11	ChEMBL_1445028 (CHEMBL3372436)	Inhibition of Raf1 (unknown origin) in presence of 1 mM ATP
50045052	12	ChEMBL_1445027 (CHEMBL3372435)	Inhibition of IRAK4 (unknown origin) in presence of 1 mM ATP
50045052	13	ChEMBL_1445026 (CHEMBL3372434)	Inhibition of LMIK1 (unknown origin) in presence of 1 mM ATP
50045052	14	ChEMBL_1445025 (CHEMBL3372433)	Inhibition of human full-length LIMK2 expressed in Sf9 cells assessed as incorporation of [33P] from ATP into biotinylated-cofilin substrate in presence of 300 uM ATP
50045052	15	ChEMBL_1445050 (CHEMBL3372982)	Inhibition of CHK2 (unknown origin) in presence of 1 mM ATP
50045052	16	ChEMBL_1445049 (CHEMBL3372981)	Inhibition of Jak2 (unknown origin) in presence of 1 mM ATP
50045052	17	ChEMBL_1445048 (CHEMBL3372980)	Inhibition of Jak3 (unknown origin) in presence of 1 mM ATP
50045052	18	ChEMBL_1445047 (CHEMBL3372979)	Inhibition of Flt1 (unknown origin) in presence of 1 mM ATP
50045052	19	ChEMBL_1445046 (CHEMBL3372978)	Inhibition of Fgr (unknown origin) in presence of 1 mM ATP
50045052	20	ChEMBL_1445045 (CHEMBL3372977)	Inhibition of LCK (unknown origin) in presence of 1 mM ATP
50014525	1	ChEMBL_67375 (CHEMBL677485)	Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)
50014525	2	ChEMBL_67377 (CHEMBL677487)	Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)
50014528	1	ChEMBL_72356 (CHEMBL686443)	In vitro Growth factor receptor bound protein 2-binding affinity in ELISA method
50014528	2	ChEMBL_72357 (CHEMBL686444)	In vitro Growth factor receptor bound protein 2-binding affinity in in surface plasmon resonance (SPR) method
50014529	1	ChEBML_51740	Predictive competitive inhibition of cytochrome P450 2D6 was determined in silico
50014529	5	ChEMBL_202416 (CHEMBL805571)	In vitro inhibition of [3H]batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in rat cerebral cortex membrane
50014529	4	ChEMBL_202417 (CHEMBL805572)	Inhibitory concentration against [3H]batrachotoxin binding to neurotoxin site 2 of sodium (Na+) channel in vitro in rat cerebral cortex membrane at 1 uM
50014532	5	ChEBML_72991	In vitro binding affinity against human glucagon receptor (h-GlucR) was determined
50045052	21	ChEMBL_1445044 (CHEMBL3372976)	Inhibition of Syk (unknown origin) in presence of 1 mM ATP
50045052	22	ChEMBL_1445043 (CHEMBL3372975)	Inhibition of Src (unknown origin) in presence of 1 mM ATP
50045052	23	ChEMBL_1445042 (CHEMBL3372974)	Inhibition of Abl (unknown origin) in presence of 1 mM ATP
50045052	24	ChEMBL_1445041 (CHEMBL3372973)	Inhibition of ERK2 (unknown origin) in presence of 1 mM ATP
50045052	25	ChEMBL_1445040 (CHEMBL3372972)	Inhibition of GSK3beta (unknown origin) in presence of 1 mM ATP
50045053	1	ChEMBL_1445052 (CHEMBL3372984)	Inhibition of GST-tagged human Wee1
50014534	2	ChEMBL_224216 (CHEMBL845191)	Inhibitory activity against association of LFA-1 with intercellular adhesion molecule 1
50014537	5	ChEBML_48628	In vitro inhibitory activity against Coagulation factor X was determined
50014537	8	ChEBML_155584	In vitro inhibitory activity against plasmin was determined
50014537	1	ChEBML_213039	In vitro inhibitory activity against trypsin was determined
50014537	6	ChEBML_209072	In vitro inhibitory activity against thrombin was determined
50014537	7	ChEMBL_49145 (CHEMBL661991)	In vitro inhibitory activity against Coagulation factor X was determined
50014537	4	ChEBML_27865	In vitro inhibitory activity against activated protein C was determined
50014537	3	ChEBML_208223	In vitro inhibitory activity against tissue type plasminogen activator was determined
50045053	2	ChEMBL_1445054 (CHEMBL3372986)	Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay
50045054	1	ChEMBL_1445160 (CHEMBL3374860)	Inhibition of Pim1 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
50045054	2	ChEMBL_1445162 (CHEMBL3375414)	Inhibition of human ERG expressed in CHO cells by automated patch clamp method
50045054	3	ChEMBL_1445161 (CHEMBL3375413)	Inhibition of Pim2 (unknown origin) using luciferase-luciferin based ATP detection reagent by Kinase-Glo assay
50045054	4	ChEMBL_1445163 (CHEMBL3375415)	Inhibition of human Flt3 (unknown origin)
50045055	1	ChEMBL_1445183 (CHEMBL3375435)	Inhibition of human IRE1alpha using 5'[6FAM]-GAGUCCGCAGCACUC-[BHQ1]3' substrate by biochemical fluorescence quenching assay
50045055	2	ChEMBL_1445186 (CHEMBL3375438)	Inhibition of human wild type JNK3 using biotinylated ATF2 substrate assessed as phosphorylation at thr53 on ATF2 by fluorescent plate reader
50045056	1	ChEMBL_1445189 (CHEMBL3375441)	Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 500 uM ATP
50014540	1	ChEBML_196739	In vitro inhibitory activity against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta
50045056	2	ChEMBL_1445193 (CHEMBL3375445)	Inhibition of human SGK2 in presence of 500 uM ATP
50045056	3	ChEMBL_1445194 (CHEMBL3375446)	Inhibition of human SGK3 in presence of 500 uM ATP
50045056	4	ChEMBL_1445195 (CHEMBL3375447)	Inhibition of SGK1 in human U2OS cells assessed as phosphorylation of GSK3beta
50045056	5	ChEMBL_1445199 (CHEMBL3375451)	Inhibition of human CYP3A4 midazolam site in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50045056	6	ChEMBL_1445200 (CHEMBL3375452)	Inhibition of human CYP3A4 testosterone site in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50045056	7	ChEMBL_1445318 (CHEMBL3377873)	Inhibition of human SGK1
50045056	8	ChEMBL_1445188 (CHEMBL3375440)	Inhibition of human SGK1 using fluo-5(6)-carboxyfluorescein)-RPRAATF-NH2 fluorescently labeled peptide by substrate phosphorylation assay in presence of 10 uM ATP
50014544	1	ChEBML_149324	Binding affinity towards opioid receptor mu 1
50014544	2	ChEMBL_149324 (CHEMBL882430)	Binding affinity towards opioid receptor mu 1
50045057	1	ChEMBL_1445320 (CHEMBL3377875)	Inhibition of EphB4 (unknown origin) by FRET-based enzymatic assay in presence of 30 uM ATP
50045058	1	ChEMBL_1445334 (CHEMBL3377889)	Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 2 uM ATP
50045058	2	ChEMBL_1445333 (CHEMBL3377888)	Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 2 uM ATP
50045058	3	ChEMBL_1445332 (CHEMBL3377887)	Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 2 uM ATP
50014545	2	ChEBML_201370	Binding affinity to serotonin transporter (SERT) in membranes of cells selectively expressing the human genes for SERT
50014547	2	ChEMBL_70753 (CHEMBL682841)	Dissociation constant against yeast farnesyltransferase
50045058	4	ChEMBL_1445335 (CHEMBL3377890)	Inhibition of human Rock2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 2 uM ATP
50014548	2	ChEBML_45638	Inhibition of human carboxypeptidase B (CPB)
50045058	5	ChEMBL_1445336 (CHEMBL3378488)	Inhibition of human full-length LIMK2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 200 uM ATP
50045058	6	ChEMBL_1445337 (CHEMBL3378489)	Inhibition of human LIMK1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 200 uM ATP
50045058	7	ChEMBL_1445338 (CHEMBL3378490)	Inhibition of human Rock1 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 200 uM ATP
50045058	8	ChEMBL_1445339 (CHEMBL3378491)	Inhibition of human Rock2 assessed as incorporation of P33 from ATP into biotinylated-cofilin substrate by scintillation counting analysis in presence of 200 uM ATP
50045058	9	ChEMBL_1445341 (CHEMBL3378493)	Binding affinity to human LIMK2
50045058	10	ChEMBL_1445342 (CHEMBL3378494)	Binding affinity to human Rock2
50045059	1	ChEMBL_1445347 (CHEMBL3378499)	Binding affinity to VEGFR2 (unknown origin) by proteros reporter displacement assay
50045060	1	ChEMBL_1445349 (CHEMBL3378501)	Inhibition of RSK2 (unknown origin) assessed as phosphorylation by Western lightning enhanced chemiluminescent reagent/HRP activity assay
50045061	1	ChEMBL_1450737 (CHEMBL3363612)	Inhibition of pig pancreas trypsin type IX-S using Boc-Gln-Ala-Arg-MCA substrate by 7-amino-4-methylcoumarin release based spectrofluorometry
50045061	2	ChEMBL_1450738 (CHEMBL3363613)	Inhibition of pig pancreas trypsin type IX-S
50045062	1	ChEMBL_1450750 (CHEMBL3363625)	Binding affinity to human DAT after 90 mins by microbeta counting analysis
50045063	1	ChEMBL_1452543 (CHEMBL3363134)	Agonist activity at human kappa opioid receptor expressed CHO cells co-expressing Galphaq16 assessed as calcium mobilization by fluorescence assay
50045064	1	ChEMBL_1452555 (CHEMBL3363422)	Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as inhibition of menthol-induced increase in intracellular Ca2+ accumulation pre-incubated for 3 mins prior to menthol stimulation by Fluo-4 AM dye based fluorescence assay
50045064	2	ChEMBL_1452553 (CHEMBL3363420)	Agonist activity at human TRPA1 expressed in T-REx HEK cells assessed as increase in intracellular Ca2+ accumulation by Fluo-4 AM dye based fluorescence assay
50045064	3	ChEMBL_1452551 (CHEMBL3363142)	Agonist activity at human TRPV1 expressed in T-REx HEK cells assessed as increase in intracellular Ca2+ accumulation by Fluo-4 AM dye based fluorescence assay
50045064	4	ChEMBL_1452549 (CHEMBL3363140)	Agonist activity at mouse TRPM8 expressed in T-REx HEK cells assessed as increase in intracellular Ca2+ accumulation by Fluo-4 AM dye based fluorescence assay
50045064	5	ChEMBL_1452558 (CHEMBL3363425)	Antagonist activity against human TRPV1 expressed in T-REx HEK cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ accumulation pre-incubated for 3 mins prior to capsaicin stimulation by Fluo-4 AM dye based fluorescence assay
50045064	6	ChEMBL_1452556 (CHEMBL3363423)	Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as inhibition of icilin-induced increase in intracellular Ca2+ accumulation pre-incubated for 3 mins prior to icilin stimulation by Fluo-4 AM dye based fluorescence assay
50014551	1	ChEBML_41759	Inhibition of CCL3 binding to C-C chemokine receptor type 1
50014551	3	ChEBML_196438	Inhibitory activity of compound against renin was determined
50014552	1	ChEBML_41887	Inhibition of CCL3 binding to C-C chemokine receptor type 1
50014553	2	ChEBML_41888	Inhibition of CCL3 binding to C-C chemokine receptor type 1
50045065	1	ChEMBL_1453473 (CHEMBL3362160)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay
50045065	2	ChEMBL_1453474 (CHEMBL3362161)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol by scintillation proximity assay
50045066	1	ChEMBL_1453490 (CHEMBL3362177)	Inhibition of human PDE4D2
50045066	2	ChEMBL_1453489 (CHEMBL3362176)	Inhibition of human PDE4D2 catalytic domain (86 to 413 amino acids) expressed in Escherichia coli strain BL21 after 15 mins using [3H]-cAMP by liquid scintillation counting
50045067	1	ChEMBL_1454314 (CHEMBL3364154)	Binding affinity to human CB1 receptor
50045067	2	ChEMBL_1454313 (CHEMBL3364153)	Antagonist activity at rat CB1 receptor
50045067	3	ChEMBL_1454312 (CHEMBL3364152)	Antagonist activity at human CB1 receptor
50045067	4	ChEMBL_1454311 (CHEMBL3364151)	Inverse agonist activity at rat CB1 receptor
50045067	5	ChEMBL_1454310 (CHEMBL3364150)	Inverse agonist activity at human CB1 receptor
50045067	6	ChEMBL_1454308 (CHEMBL3364148)	Binding affinity at CB1 receptor (unknown origin)
50045068	1	ChEMBL_1456058 (CHEMBL3366442)	Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 1hr by HPLC analysis
50045068	2	ChEMBL_1456092 (CHEMBL3366823)	Inhibition of human aldosterone synthase in homogenized rat glomerulosa tissue
50045068	3	ChEMBL_1456091 (CHEMBL3366822)	Inhibition of human CYP11B2 expressed in G402 cells
50045068	4	ChEMBL_1456090 (CHEMBL3366821)	Inhibition of human CYP11B2 expressed in NCI-H295R cells assessed as reduction in aldosterone formation
50045068	5	ChEMBL_1456089 (CHEMBL3366820)	Inhibition of CYP1A2 (unknown origin)
50045068	6	ChEMBL_1456066 (CHEMBL3366797)	Inhibition of human aldosterone synthase expressed in yeast cells
50045068	7	ChEMBL_1456067 (CHEMBL3366798)	Inhibition of human aldosterone synthase expressed in V79 MZ cells
50045068	8	ChEMBL_1456084 (CHEMBL3366815)	Inhibition of CYP3A4 (unknown origin)
50045068	9	ChEMBL_1456083 (CHEMBL3366814)	Inhibition of human aldosterone synthase
50045068	10	ChEMBL_1456061 (CHEMBL3366445)	Inhibition of CYP19 (unknown origin)
50045068	11	ChEMBL_1456057 (CHEMBL3366441)	Inhibition of human placental microsome CYP19
50045068	12	ChEMBL_1456059 (CHEMBL3366443)	Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 hrs by HPLC analysis
50014557	1	ChEMBL_72894 (CHEMBL684061)	Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined
50014559	4	ChEBML_159372	Displacement of [3H]dexamethasone from human progesterone receptor
50014559	2	ChEBML_36109	Displacement of [3H]dexamethasone from human androgen receptor
50014559	1	ChEBML_123499	Displacement of [3H]dexamethasone from human mineralocorticoid receptor
50045068	13	ChEMBL_1456056 (CHEMBL3366440)	Inhibition of human aldosterone synthase expressed in V79 MZ cells assessed as inhibition of aldosterone synthesis
50045068	14	ChEMBL_1456063 (CHEMBL3366447)	Inhibition of human CYP11B1 expressed in V79 MZ cells
50045069	1	ChEMBL_1457062 (CHEMBL3369183)	Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter
50045069	2	ChEMBL_1457061 (CHEMBL3369182)	Agonist activity at human RoRc-LBD expressed in CHO cells assessed as transcriptional activity by GAL4 reporter assay
50014561	1	ChEBML_201915	Binding affinity for Sigma receptor type 1,using [3H](+)-pentazocine as radioligand
50014562	1	ChEBML_70464	Binding affinity for human fibroblast growth factor 1 in surface plasmon resonance (SPR) assay
50014562	2	ChEBML_70634	Binding affinity for human fibroblast growth factor 2 in surface plasmon resonance (SPR) assay (No binding)
50014562	3	ChEMBL_70634 (CHEMBL678690)	Binding affinity for human fibroblast growth factor 2 in surface plasmon resonance (SPR) assay (No binding)
50014563	6	ChEBML_210754	Inhibitory activity of compound against Urokinase-type plasminogen activator was determined
50014563	3	ChEBML_48976	Inhibitory activity of compound against Coagulation factor X was determined
50014563	2	ChEBML_208225	Inhibitory activity of compound against tissue type plasminogen activator was determined
50045069	3	ChEMBL_1457060 (CHEMBL3369181)	Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment
50014563	7	ChEBML_155587	Inhibitory activity of compound against Plasmin was determined
50014563	5	ChEBML_213042	Inhibitory activity of compound against Trypsin was determined
50045069	4	ChEMBL_1457059 (CHEMBL3369180)	Agonist activity at human RoRc-LBD in human PBMC cells assessed as inhibition of IL-17A production by luciferase assay
50045069	5	ChEMBL_1457058 (CHEMBL3369179)	Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment
50014563	4	ChEBML_209074	Inhibitory activity of compound against Thrombin was determined
50045069	6	ChEMBL_1457057 (CHEMBL3369178)	Agonist activity at RoRc-LBD (unknown origin) expressed in Drosophilla S2 cells assessed as transcriptional activity by GAL4 reporter assay
50045069	7	ChEMBL_1457056 (CHEMBL3369177)	Binding affinity to RORgamma (unknown origin)
50045069	8	ChEMBL_1457055 (CHEMBL3369176)	Displacement of fluorescein-labelled 25-HC from human RoRgamma-LBD by competitive binding assay
50045069	9	ChEMBL_1457054 (CHEMBL3369175)	Inhibition of thymus-specific isoform RORgamma (unknown origin) transcriptional activity by luciferase-based cotransfection assay
50045069	10	ChEMBL_1457053 (CHEMBL3369174)	Displacement of [3H]T0901317 from human RoRc expressed in HepG2 cells by scintillation proximity binding assay
50045069	11	ChEMBL_1457052 (CHEMBL3369173)	Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay
50045069	12	ChEMBL_1457051 (CHEMBL3368936)	Binding affinity to RORa-LBD (unknown origin) by radioligand binding assay
50045069	13	ChEMBL_1457050 (CHEMBL3368935)	Binding affinity to RORc-LBD (unknown origin) by radioligand binding assay
50045069	14	ChEMBL_1457049 (CHEMBL3368934)	Binding affinity to RORa (unknown origin) by radioligand binding assay
50045069	15	ChEMBL_1457048 (CHEMBL3368933)	Binding affinity to RORc (unknown origin) by radioligand binding assay
50045069	16	ChEMBL_1457047 (CHEMBL3368932)	Inhibition of RORa (unknown origin) assessed as inhibition of coactivator recruitment by GAL4-nuclear receptor LBD assay
50045069	17	ChEMBL_1457046 (CHEMBL3368931)	Inhibition of RORc (unknown origin) assessed as inhibition of coactivator recruitment by GAL4-nuclear receptor LBD assay
50045069	18	ChEMBL_1457044 (CHEMBL3368929)	Agonist activity at human RoRc-LBD expressed in Jurkat cells assessed as IL-17 reporter activity by luciferase assay in absence of anti-CD3
50045069	19	ChEMBL_1457945 (CHEMBL3370852)	Inhibition of RORc (unknown origin) assessed as inhibition of fluorescein-D22 recruitment by TR-FRET assay
50045069	20	ChEMBL_1457944 (CHEMBL3370851)	Inverse agonist activity at human RoRc-LBD expressed in cells assessed as TRAP-220 coactivator peptide recruitment
50045069	28	ChEMBL_1457936 (CHEMBL3370843)	Displacement of [3H2]25-hydroxycholesterol from RoRc-LBD (unknown origin)
50045069	29	ChEMBL_1457926 (CHEMBL3370833)	Inverse agonist activity at human RoRc in human skin model assessed as suppression of IL-17F level relative to control
50045069	30	ChEMBL_1457064 (CHEMBL3369185)	Inverse agonist activity at human RoRc in human skin model assessed as suppression of IL-17A level relative to control
50045069	31	ChEMBL_1457063 (CHEMBL3369184)	Activity at RoRc in mouse CD4+ T cells assessed as inhibition of IL-17 production
50045070	1	ChEMBL_1457946 (CHEMBL3370853)	Inhibition of Nek2 (unknown origin)
50045070	2	ChEMBL_1457947 (CHEMBL3370854)	Inhibition of EGFR (unknown origin)
50045071	1	ChEMBL_1458891 (CHEMBL3368790)	Inhibition of ovine COX1 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay
50045071	2	ChEMBL_1458892 (CHEMBL3368791)	Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production using arachidonic acid substrate by enzyme immunoassay
50045072	1	ChEMBL_1446504 (CHEMBL3376778)	Inhibition of VEGFR2 (unknown origin)
50014569	3	ChEBML_3808	In vitro inhibitory activity against 5-lipoxygenase in a human whole blood assay
50014569	2	ChEBML_84432	In vitro binding affinity towards histamine H1 receptor expressed in CHO-K1 cells
50045072	2	ChEMBL_1446503 (CHEMBL3376777)	Inhibition of c-Src (unknown origin)
50014570	1	ChEBML_71592	Binding affinity towards human gonadotropin-releasing hormone receptor expressed in HEK293 cells using des-Gly10-[125I]Tyr,5 DLeu,6 NMeLeu,7 Pro9-NEt GnRH as radioligand.
50014572	1	ChEBML_2456	Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin
50014572	2	ChEBML_61126	Binding affinity towards dopamine receptor D2 using [3H]spiperone as radioligand
50014572	3	ChEBML_143139	Binding affinity towards Norepinephrine transporter using [3H]nisoxitine as radioligand
50014572	5	ChEBML_202160	Binding affinity towards Serotonin transporter using [3H]paroxetine as radioligand
50014572	4	ChEBML_3046	Binding affinity towards 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand
50014573	1	ChEBML_54395	Inhibitory activity against dihydrofolate reductase
50014574	1	ChEBML_42207	Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response
50014574	6	ChEMBL_215815 (CHEMBL820104)	Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]RTX displacement.
50014574	2	ChEMBL_42367 (CHEMBL655234)	In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid receptor expressing CHO cells
50014574	5	ChEMBL_42209 (CHEMBL658310)	Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response, weak effect at 30 nM
50014574	4	ChEMBL_42207 (CHEMBL658308)	Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response
50014574	3	ChEMBL_42206 (CHEMBL658307)	Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response
50014576	1	ChEBML_100168	Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes
50045073	1	ChEMBL_1447353 (CHEMBL3379777)	Inhibition of ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for 10 mins prior to substrate challenge by enzyme immunoassay
50045073	2	ChEMBL_1447358 (CHEMBL3380375)	Inhibition of human recombinant COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for 10 mins prior to substrate challenge by enzyme immunoassay
50045074	1	ChEMBL_1449146 (CHEMBL3378734)	Binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) by intrinsic tryptophan fluorescence quenching method
50045075	1	ChEMBL_1450016 (CHEMBL3373278)	Antagonist actiivty at human H4R expressed in human U2OS cells assessed as inhibition of [35S]GTPgammaS binding after 30 mins by scintillation proximity assay
50045075	2	ChEMBL_1450017 (CHEMBL3373279)	Agonist activity at human H4R expressed in human U2OS cells assessed as recruitment of beta-arrestin after 2 hrs by PathHunter beta-galactosidase enzyme fragment complementation assay
50045076	1	ChEMBL_1450778 (CHEMBL3363923)	Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay
50045076	2	ChEMBL_1450779 (CHEMBL3363924)	Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay
50045077	1	ChEMBL_1450783 (CHEMBL3363928)	Inhibition of PI3K-alpha (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis
50045077	2	ChEMBL_1450782 (CHEMBL3363927)	Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis
50045077	3	ChEMBL_1450781 (CHEMBL3363926)	Inhibition of PI3K-gamma (unknown origin)
50045078	1	ChEMBL_1450832 (CHEMBL3364271)	Inhibition of c-Met kinase (unknown origin) after 60 mins by ELISA
50045078	2	ChEMBL_1450833 (CHEMBL3364272)	Inhibition of ALK (unknown origin) after 60 mins by ELISA
50014584	5	ChEBML_140870	Ability of compound to displace [3H]glycine from N-methyl-D-aspartate glutamate receptor 1 from in cerebral cortex synaptic membranes
50045078	3	ChEMBL_1451674 (CHEMBL3366505)	Inhibition of AXL (unknown origin) after 60 mins by ELISA
50045078	4	ChEMBL_1451675 (CHEMBL3366506)	Inhibition of Mer (unknown origin) after 60 mins by ELISA
50045078	5	ChEMBL_1451676 (CHEMBL3366507)	Inhibition of PDGFR-alpha (unknown origin) after 60 mins by ELISA
50045078	6	ChEMBL_1451677 (CHEMBL3366508)	Inhibition of PDGFR-beta (unknown origin) after 60 mins by ELISA
50045078	7	ChEMBL_1451678 (CHEMBL3366509)	Inhibition of EGFR (unknown origin) after 60 mins by ELISA
50045078	8	ChEMBL_1451681 (CHEMBL3366512)	Inhibition of c-Src (unknown origin) after 60 mins by ELISA
50045078	9	ChEMBL_1451683 (CHEMBL3366514)	Inhibition of KDR (unknown origin) after 60 mins by ELISA
50045078	10	ChEMBL_1451684 (CHEMBL3366515)	Inhibition of Flt-1 (unknown origin) after 60 mins by ELISA
50045078	11	ChEMBL_1451685 (CHEMBL3366516)	Inhibition of c-Kit (unknown origin) after 60 mins by ELISA
50045078	12	ChEMBL_1451686 (CHEMBL3366517)	Inhibition of ABL (unknown origin) after 60 mins by ELISA
50045079	1	ChEMBL_1454339 (CHEMBL3364478)	Inhibition of FPPS (unknown origin)
50045079	2	ChEMBL_1454323 (CHEMBL3364163)	Inhibition of acetylcholine esterase (unknown origin)
50045079	3	ChEMBL_1454324 (CHEMBL3364164)	Inhibition of mouse GSTM1-1
50045079	4	ChEMBL_1454326 (CHEMBL3364166)	Binding affinity to acetylcholine esterase (unknown origin)
50045079	5	ChEMBL_1454330 (CHEMBL3364170)	Inhibition of Akt1 (unknown origin)
50045079	6	ChEMBL_1454334 (CHEMBL3364174)	Binding affinity to Bcl-b (unknown origin)
50045079	7	ChEMBL_1454335 (CHEMBL3364175)	Binding affinity to induced myeloid leukemia cell differentiation protein 1 (unknown origin)
50045079	8	ChEMBL_1454336 (CHEMBL3364475)	Binding affinity to bovine beta-casein A1
50045079	9	ChEMBL_1454337 (CHEMBL3364476)	Inhibition of Aurora A (unknown origin)
50045079	10	ChEMBL_1454338 (CHEMBL3364477)	Inhibition of CDK1 (unknown origin)
50045080	1	ChEMBL_1457993 (CHEMBL3367167)	Binding affinity to cyclophilin A (unknown origin)
50045080	2	ChEMBL_1457994 (CHEMBL3367168)	Binding affinity to cyclophilin D (unknown origin)
50045081	1	ChEMBL_1457997 (CHEMBL3367171)	Inhibition of AP-1-mediated transcriptional activation in human Jurkat cells by luciferase reporter gene assay
50045081	2	ChEMBL_1458002 (CHEMBL3367176)	Inhibition of AP-1-mediated transcriptional activation in HEK293 cells by luciferase reporter gene assay
50045081	3	ChEMBL_1458004 (CHEMBL3367178)	Inhibition of AP-1 bZIP domain DNA binding activity (unknown origin) by ELISA
50045081	4	ChEMBL_1458005 (CHEMBL3367179)	Inhibition of AP-1 (unknown origin) expressed in TPA-stimulated mouse NIH3T3 cells by luciferase reporter gene assay
50045081	5	ChEMBL_1458006 (CHEMBL3367180)	Inhibition of AP-1 (unknown origin) binding to AP-1 oligonucleotide by gel shift assay
50045081	6	ChEMBL_1458007 (CHEMBL3367181)	Inhibition of AP-1-mediated collagenase production in IL1alpha-stimulated Lewis rat synovial cells
50045081	7	ChEMBL_1458011 (CHEMBL3367185)	Inhibition of AP-1 (unknown origin) by FRET assay
50045081	8	ChEMBL_1458012 (CHEMBL3367186)	Inhibition of TPA-induced AP-1 activation (unknown origin)
50045081	10	ChEMBL_1458014 (CHEMBL3367188)	Activity at RARalpha (unknown origin)
50045081	11	ChEMBL_1458015 (CHEMBL3367189)	Activity at RARbeta (unknown origin)
50045081	12	ChEMBL_1458016 (CHEMBL3367190)	Activity at RARgamma (unknown origin)
50045081	13	ChEMBL_1458017 (CHEMBL3367191)	Activity at RXRalpha (unknown origin)
50014586	3	ChEBML_45084	Inhibitory activity of compound against human carbonic anhydrase II
50014586	1	ChEBML_45426	Inhibitory activity of compound against bovine carbonic anhydrase IV
50014586	2	ChEBML_47520	Inhibitory activity of compound against human carbonic anhydrase I
50045082	1	ChEMBL_1459806 (CHEMBL3371192)	Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells
50014588	5	ChEBML_2484	Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometric imaging plate reader
50045082	2	ChEMBL_1459807 (CHEMBL3371193)	Inhibition of human recombinant 5HT6 receptor expressed in CHO cells
50014589	6	ChEMBL_67811 (CHEMBL676380)	Binding affinity towards human recombinant Estrogen receptor beta was determined
50014589	2	ChEMBL_67819 (CHEMBL677049)	In vitro binding affinity for Estrogen receptor beta in HEK293 cells
50014589	3	ChEMBL_67487 (CHEMBL679324)	Binding affinity towards human recombinant Estrogen receptor alpha was determined
50014589	4	ChEMBL_67499 (CHEMBL679890)	In vitro binding affinity for Estrogen receptor alpha in HEK293 cells
50014590	3	ChEMBL_70091 (CHEMBL677037)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-1-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014590	4	ChEMBL_70408 (CHEMBL680435)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-3-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014590	6	ChEMBL_70253 (CHEMBL682712)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-2-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014590	2	ChEMBL_70554 (CHEMBL682082)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-5-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014590	1	ChEMBL_70254 (CHEMBL682713)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-2-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014590	5	ChEMBL_312 (CHEMBL615287)	Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha-1-beta-3-gamma-2 receptor subunits expressed in Xenopus oocytes
50014591	2	ChEMBL_159601 (CHEMBL760083)	Compound was evaluated for inhibition concentration of prostaglandin G/H synthase 2 in human blood
50045083	1	ChEMBL_1459833 (CHEMBL3371219)	Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by luciferase reporter gene assay
50045083	2	ChEMBL_1459837 (CHEMBL3371223)	Agonist activity at PPAR-alpha (unknown origin) expressed in HEK293 cells by TR-FRET assay
50045083	3	ChEMBL_1459834 (CHEMBL3371220)	Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method
50045083	4	ChEMBL_1459838 (CHEMBL3371224)	Inhibition of CB2 receptor (unknown origin)
50045084	1	ChEMBL_1446559 (CHEMBL3377958)	Inhibition of RAD1 (unknown origin) binding to ssDNA
50045084	2	ChEMBL_1446560 (CHEMBL3377959)	Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method
50045084	3	ChEMBL_1446569 (CHEMBL3377968)	Inhibition of RAD54 (unknown origin) ATPase activity assessed as generation of reactive oxygen species
50045084	4	ChEMBL_1446570 (CHEMBL3377969)	Inhibition of BLM helicase (unknown origin) binding to DNA
50045084	5	ChEMBL_1446571 (CHEMBL3377970)	Inhibition of BLM helicase (unknown origin) assessed as branch migration activity
50045084	6	ChEMBL_1446572 (CHEMBL3377971)	Inhibition of WRN helicase (unknown origin)
50045084	7	ChEMBL_1446573 (CHEMBL3377972)	Inhibition of Mre11 exonuclease activity (unknown origin) in cell free extracts
50045084	8	ChEMBL_1446574 (CHEMBL3377973)	In vitro inhibition of purified recombinant Mre11 exonuclease activity (unknown origin)
50045085	1	ChEMBL_1447392 (CHEMBL3380409)	Inhibition of human ERG channel
50045085	2	ChEMBL_1448350 (CHEMBL3376269)	Agonist activity at muscarinic M4 receptor (unknown origin) by calcium mobilization assay
50045085	3	ChEMBL_1448349 (CHEMBL3376268)	Agonist activity at muscarinic M1 receptor (unknown origin) by calcium mobilization assay
50045086	1	ChEMBL_1448362 (CHEMBL3376281)	Inhibition of PDK1 (unknown origin) using PDKtide substrate and [gamma-32P]ATP by scintillation counting method
50045087	1	ChEMBL_1449191 (CHEMBL3379865)	Binding affinity to adenosine A1 receptor (unknown origin)
50045087	2	ChEMBL_1449192 (CHEMBL3379866)	Binding affinity to adenosine A2A receptor (unknown origin)
50045087	3	ChEMBL_1449193 (CHEMBL3379867)	Binding affinity to adenosine A3 receptor (unknown origin)
50045087	4	ChEMBL_1450019 (CHEMBL3373281)	Binding affinity to adrenergic alpha 1A receptor (unknown origin)
50045087	5	ChEMBL_1450020 (CHEMBL3373282)	Binding affinity to adrenergic alpha 1D receptor (unknown origin)
50045087	6	ChEMBL_1450021 (CHEMBL3373283)	Binding affinity to adrenergic alpha 2A receptor (unknown origin)
50045087	7	ChEMBL_1450022 (CHEMBL3373284)	Binding affinity to adrenergic alpha 2C receptor (unknown origin)
50045087	8	ChEMBL_1450023 (CHEMBL3373285)	Binding affinity to cannabinoid CB1 receptor (unknown origin)
50045087	9	ChEMBL_1450024 (CHEMBL3373286)	Binding affinity to cannabinoid CB2 receptor (unknown origin)
50045087	10	ChEMBL_1450027 (CHEMBL3373289)	Binding affinity to 5-HT2A receptor (unknown origin)
50045087	11	ChEMBL_1450028 (CHEMBL3373290)	Binding affinity to 5-HT2B receptor (unknown origin)
50045087	12	ChEMBL_1450029 (CHEMBL3373291)	Binding affinity to 5-HT7 receptor (unknown origin)
50045087	13	ChEMBL_1450030 (CHEMBL3373292)	Binding affinity to sigma1 receptor (unknown origin)
50045087	14	ChEMBL_1450032 (CHEMBL3373294)	Binding affinity to SST2 receptor (unknown origin)
50045087	15	ChEMBL_1450033 (CHEMBL3373295)	Binding affinity to SST4 receptor (unknown origin)
50045088	1	ChEMBL_1450056 (CHEMBL3373318)	Inhibition of human HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50045088	2	ChEMBL_1450057 (CHEMBL3373319)	Inhibition of human HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50045088	3	ChEMBL_1450058 (CHEMBL3373320)	Inhibition of human HDAC3 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50014599	2	ChEMBL_87254 (CHEMBL699244)	Inhibition of histidine containing protein in kinase assay
50014599	3	ChEMBL_87255 (CHEMBL699245)	Inhibition of histidine containing protein in kinase assay with ADP
50014599	1	ChEMBL_87256 (CHEMBL699246)	Inhibition of histidine containing protein in phosphatase assay
50045088	4	ChEMBL_1450059 (CHEMBL3373321)	Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50045088	5	ChEMBL_1450060 (CHEMBL3373901)	Inhibition of human HDAC4 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50045088	6	ChEMBL_1450061 (CHEMBL3373902)	Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50014603	4	ChEMBL_200962 (CHEMBL802050)	In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membranes by (+)-[3H]pentazocine displacement.
50014603	5	ChEMBL_2998 (CHEMBL619788)	In vitro binding affinity at serotonin 5-hydroxytryptamine 3 receptor in rat cortex by [3H]granisetron displacement.
50014603	3	ChEMBL_62877 (CHEMBL673588)	In vitro binding affinity at Dopamine receptor D2 in rat striatum by [3H]spiroperidol displacement.
50014603	2	ChEMBL_201104 (CHEMBL807585)	In vitro binding affinity at opioid sigma-1 receptor in guinea pig brain membranes by (+)-[3H]pentazocine displacement.
50045088	7	ChEMBL_1450062 (CHEMBL3373903)	Inhibition of human HDAC6 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay
50014605	3	ChEMBL_214956 (CHEMBL821185)	Dissociation constant for the blockage of voltage-gated potassium channel subunit Kv1.3 in human lymphocytes
50045089	1	ChEMBL_1450856 (CHEMBL3364615)	Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay
50045089	2	ChEMBL_1450857 (CHEMBL3364616)	Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay
50045089	3	ChEMBL_1450855 (CHEMBL3364614)	Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay
50045089	4	ChEMBL_1450854 (CHEMBL3364613)	Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay
50045089	5	ChEMBL_1450853 (CHEMBL3364612)	Inhibition of KDR (unknown origin) by FRET-based homogeneous assay
50045089	6	ChEMBL_1450852 (CHEMBL3364611)	Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay
50045089	7	ChEMBL_1450868 (CHEMBL3364627)	Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay
50045089	8	ChEMBL_1450869 (CHEMBL3364628)	Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay
50045089	9	ChEMBL_1450872 (CHEMBL3364631)	Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay
50045089	10	ChEMBL_1450858 (CHEMBL3364617)	Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay
50045089	11	ChEMBL_1450850 (CHEMBL3364609)	Inhibition of PLK4 (unknown origin)
50045089	12	ChEMBL_1450867 (CHEMBL3364626)	Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay
50045089	13	ChEMBL_1450851 (CHEMBL3364610)	Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method
50045090	1	ChEMBL_1451727 (CHEMBL3366920)	Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay
50045090	2	ChEMBL_1451726 (CHEMBL3366919)	Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay
50014615	1	ChEBML_159827	Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)
50014616	3	ChEMBL_31841 (CHEMBL641518)	Binding affinity for human adenosine A3 receptor expressed in HEK293 cells
50014616	2	ChEBML_31841	Binding affinity for human adenosine A3 receptor expressed in HEK293 cells
50014616	1	ChEBML_31207	Binding affinity for human adenosine A2A receptor expressed in HEK293 cells
50014618	1	ChEBML_144148	In vitro binding affinity against rat neuropeptide Y2 receptor
50014618	2	ChEBML_144154	In vitro binding affinity against rat neuropeptide Y4 receptor
50014618	5	ChEBML_144143	In vitro binding affinity against rat neuropeptide Y1 receptor
50014618	3	ChEMBL_144155 (CHEMBL882034)	In vitro binding affinity against human neuropeptide Y5 receptor
50014618	7	ChEBML_144159	In vitro binding affinity against rat neuropeptide Y5 receptor
50045090	3	ChEMBL_1451728 (CHEMBL3366921)	Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay
50045090	4	ChEMBL_1451729 (CHEMBL3366922)	Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay
50045090	5	ChEMBL_1451733 (CHEMBL3361617)	Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay
50014623	4	ChEMBL_90528 (CHEMBL700598)	Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein
50014623	3	ChEMBL_90530 (CHEMBL700600)	In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay
50014632	1	ChEBML_45555	Inhibitory concentration against recombinant human cathepsin K
50014634	2	ChEBML_67685	Binding affinity towards human estrogen receptor beta (ERbeta)
50014634	1	ChEBML_67484	Binding affinity towards human estrogen receptor alpha
50014637	5	ChEMBL_218096 (CHEMBL822543)	Inhibitory activity was determined against human alpha IIb beta3 integrin
50014637	6	ChEMBL_214632 (CHEMBL819712)	Inhibitory activity was determined against human vitronectin receptor (alpha V beta 3)
50014637	4	ChEMBL_214631 (CHEMBL819711)	Inhibition of binding to human alphaV-beta3 integrin
50014640	1	ChEBML_214183	In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]1
50014642	1	ChEBML_48936	In vitro inhibition of CETP activity was assessed by measuring the rate of [3H]- cholesteryl ester transfer from HDL to apoprotein B-containing lipoproteins in human plasma
50014644	3	ChEBML_2960	Agonistic binding affinity against human 5-hydroxytryptamine 2C receptor in CHO cells using [125I]- DOI 
50014644	1	ChEBML_2280	Agonistic binding affinity against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand
50014644	5	ChEBML_59144	Binding affinity against dopamine receptor D1A
50014644	6	ChEMBL_2280 (CHEMBL617066)	Agonistic binding affinity against human 5-hydroxytryptamine 2A receptor in CHO cells using 8-OH-DPA radioligand
50014644	2	ChEBML_2923	Binding affinity against 5-hydroxytryptamine 1A receptor
50014645	2	ChEBML_221313	Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide
50014645	3	ChEBML_202610	Inhibition of Src protein tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide
50014645	1	ChEBML_210883	Inhibition of tyrosine protein kinase receptor TIE-2 with 1 mM ATP and biotinylated lck peptide
50014645	4	ChEBML_214087	Inhibition of vascular endothelial growth factor receptor 2 activity with 1 mM ATP and biotinylated lck peptide
50014657	2	ChEBML_46849	Binding affinity towards human Caspase-8
50014657	5	ChEBML_46689	Binding affinity towards human Caspase-6
50014657	4	ChEBML_46654	Binding affinity towards human Caspase-3
50014657	3	ChEBML_46513	Binding affinity towards mouse Caspase-1
50014657	1	ChEBML_46871	Binding affinity towards human Caspase-9
50014658	3	ChEMBL_39636 (CHEMBL649943)	Antagonistic activity against C-C chemokine receptor type 5
50014658	1	ChEMBL_138402 (CHEMBL744764)	Antagonistic activity against muscarinic M1 receptor
50014658	4	ChEMBL_138699 (CHEMBL747666)	Antagonistic activity against muscarinic M3 receptor
50014658	2	ChEMBL_139751 (CHEMBL745192)	Antagonistic activity against Muscarinic acetylcholine receptor M2
50014660	1	ChEMBL_213140 (CHEMBL873997)	Inhibitory activity against Urokinase-type plasminogen activator
50014660	3	ChEMBL_208054 (CHEMBL882278)	Inhibitory activity against Tissue type plasminogen activator
50014660	5	ChEMBL_208121 (CHEMBL873893)	Inhibitory activity against thrombin
50014660	4	ChEMBL_155076 (CHEMBL765077)	Inhibitory activity against plasmin
50014660	2	ChEMBL_49163 (CHEMBL663262)	Inhibitory activity against Coagulation factor Xa
50014662	1	ChEMBL_201027 (CHEMBL803255)	Inhibitory activity towards SrtA (sortase A)
50014663	5	ChEMBL_153880 (CHEMBL759402)	Displacement of PPAR-alpha/delta agonist from human Peroxisome proliferator activated receptor delta
50014663	6	ChEMBL_153383 (CHEMBL763569)	Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor alpha in CV-1 cells
50014663	2	ChEMBL_153619 (CHEMBL760384)	Displacement of PPARgamma agonist from human PPAR gamma receptor
50014663	1	ChEMBL_153405 (CHEMBL764507)	Displacement of PPAR-alpha/delta agonist from human Peroxisome proliferator activated receptor alpha
50014663	4	ChEMBL_153615 (CHEMBL759727)	Transcriptional activation of reporter assay by PPAR gamma receptor in CV-1 cells
50014663	3	ChEMBL_153857 (CHEMBL761882)	Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor delta in CV-1 cells
50014664	2	ChEMBL_51106 (CHEMBL666467)	Binding affinity towards human corticotropin releasing factor (h-CRF1) receptor
50014664	1	ChEMBL_51105 (CHEMBL666466)	Binding affinity of compound towards human Corticotropin releasing factor receptor 1
50014664	3	ChEMBL_51107 (CHEMBL666468)	Binding affinity of compound towards human corticotropin releasing factor (h-CRF1) receptor showed a 2-fold activity in racemic mixture
50045091	1	ChEMBL_1452616 (CHEMBL3363741)	Inhibition of BRAF V599E mutant (unknown origin)
50045091	2	ChEMBL_1452615 (CHEMBL3363740)	Inhibition of BRAF (unknown origin)
50045091	3	ChEMBL_1452617 (CHEMBL3363742)	Inhibition of P38a/MAPK14 (unknown origin)
50045091	4	ChEMBL_1452618 (CHEMBL3363743)	Inhibition of cRAF1 (unknown origin) at 10 uM
50045092	1	ChEMBL_1453522 (CHEMBL3362574)	Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by fluorescence assay
50014667	36	ChEMBL_52863 (CHEMBL666222)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined
50014667	43	ChEMBL_54773 (CHEMBL667996)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 34-66
50014667	29	ChEMBL_54623 (CHEMBL668845)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined
50014667	2	ChEMBL_54098 (CHEMBL668428)	Concentration required to inhibit the human Dihydrofolate reductase by 50% was determined
50014667	25	ChEMBL_52854 (CHEMBL664378)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 23-30
50014667	21	ChEMBL_54955 (CHEMBL669025)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 500-680
50014667	22	ChEMBL_52855 (CHEMBL664379)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 2400-3300
50014667	41	ChEMBL_54948 (CHEMBL669019)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 1100-1200
50014667	17	ChEMBL_54957 (CHEMBL669027)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 160000-210000
50014667	6	ChEMBL_54951 (CHEMBL669021)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 2.9-3.9
50014667	30	ChEMBL_54755 (CHEMBL667813)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 0.55-1.0
50014667	4	ChEMBL_54768 (CHEMBL667991)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 10000-16000
50014667	26	ChEMBL_54953 (CHEMBL669023)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 2500-3600
50014667	28	ChEMBL_54624 (CHEMBL668846)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 0.53-0.70
50014667	40	ChEMBL_54947 (CHEMBL669018)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined
50014667	13	ChEMBL_52856 (CHEMBL664380)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 25-30
50014667	20	ChEMBL_54765 (CHEMBL667988)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined (reported by workers at Hoffman-LaRoche)
50014667	11	ChEMBL_52857 (CHEMBL664381)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 32-47
50014667	16	ChEMBL_52858 (CHEMBL666219)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 4.0-4.6
50014667	8	ChEMBL_54766 (CHEMBL667989)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 0.88-1.2
50014667	32	ChEMBL_54757 (CHEMBL667982)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 1.3-1.7
50014667	10	ChEMBL_54767 (CHEMBL667990)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 0.92-1.3
50014667	3	ChEMBL_54099 (CHEMBL668429)	Concentration required to inhibit the human Dihydrofolate reductase by 50% was determined (reported by Hoffman-LaRoche group)
50014667	49	ChEMBL_54772 (CHEMBL667995)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 28-35
50014667	37	ChEMBL_55315 (CHEMBL663070)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined (reported by Hoffman-LaRoche group)
50014667	9	ChEMBL_54950 (CHEMBL669020)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 1100-1800
50014667	34	ChEMBL_54758 (CHEMBL884428)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 1.7-2.3
50014667	42	ChEMBL_54949 (CHEMBL875139)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 1100-1500
50014667	27	ChEMBL_54763 (CHEMBL667986)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 9.1-17
50014667	38	ChEMBL_55317 (CHEMBL663072)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 18-27
50014667	18	ChEMBL_52853 (CHEMBL664377)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 20-23
50014667	23	ChEMBL_54762 (CHEMBL875134)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 6.5-8.0
50014667	48	ChEMBL_54771 (CHEMBL667994)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 2600-3000
50014667	24	ChEMBL_54954 (CHEMBL669024)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 370-440
50014667	45	ChEMBL_54775 (CHEMBL669753)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 9.0-17
50014667	19	ChEMBL_54956 (CHEMBL669026)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 7.0-9.2
50014667	14	ChEMBL_54761 (CHEMBL667985)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 6.2-11
50014667	44	ChEMBL_54774 (CHEMBL669752)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 58-110
50014667	46	ChEMBL_54776 (CHEMBL669754)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 9.8-12
50014667	1	ChEMBL_54100 (CHEMBL668430)	Concentration required to inhibit the human Dihydrofolate reductase by 50% was determined (reported by workers at Hoffman-LaRoche)
50014667	47	ChEMBL_54770 (CHEMBL667993)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 19-29
50014667	7	ChEMBL_54769 (CHEMBL667992)	Concentration required to inhibit the Pneumocystis carinii Dihydrofolate reductase by 50% was determined; Range: 18-25
50014667	5	ChEMBL_54952 (CHEMBL669022)	Concentration required to inhibit the rat liver Dihydrofolate reductase by 50% was determined; Range: 250-300
50014667	33	ChEMBL_52860 (CHEMBL666220)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 8.9-11
50014667	12	ChEMBL_54760 (CHEMBL667984)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 3.6-4.4
50014667	15	ChEMBL_52859 (CHEMBL876719)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 8-30
50014667	35	ChEMBL_54759 (CHEMBL667983)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 260-350
50014667	39	ChEMBL_55316 (CHEMBL663071)	Concentration required to inhibit the Toxoplasma gondii Dihydrofolate reductase by 50% was determined; Range: 12-24
50014667	31	ChEMBL_54756 (CHEMBL667814)	Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range: 1.2-1.4
50045092	2	ChEMBL_1454388 (CHEMBL3364860)	Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by Lineweaver-Burke plot method
50045092	3	ChEMBL_1454387 (CHEMBL3364859)	Inhibition of human SIRT1 F414A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by Lineweaver-Burke plot method
50045092	4	ChEMBL_1454386 (CHEMBL3364858)	Inhibition of human SIRT1 I347A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by Lineweaver-Burke plot method
50045092	5	ChEMBL_1454385 (CHEMBL3364857)	Inhibition of human SIRT1 F273L mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by Lineweaver-Burke plot method
50045092	6	ChEMBL_1454384 (CHEMBL3364523)	Inhibition of human SIRT1 F414A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by fluorescence assay
50045092	7	ChEMBL_1454383 (CHEMBL3364522)	Inhibition of human SIRT1 I347A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by fluorescence assay
50045092	8	ChEMBL_1454382 (CHEMBL3364521)	Inhibition of human SIRT1 F273L mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibition of deacetylation of peptide after 45 mins by fluorescence assay
50045093	1	ChEMBL_1454389 (CHEMBL3364861)	Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay
50045093	2	ChEMBL_1454394 (CHEMBL3364866)	Competitive inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50045094	1	ChEMBL_1454419 (CHEMBL3364891)	Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	2	ChEMBL_1455264 (CHEMBL3362270)	Agonist activity at mouse FFA4 receptor in mouse MIN6 cells assessed as induction of glucose-induced insulin secretion by AlphaLISA
50045094	3	ChEMBL_1454421 (CHEMBL3364893)	Agonist activity at rat FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	4	ChEMBL_1454423 (CHEMBL3364895)	Agonist activity at mouse FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	5	ChEMBL_1454434 (CHEMBL3365230)	Inhibition of human FFA4 receptor expressed in U2OS cells
50045094	6	ChEMBL_1454435 (CHEMBL3365231)	Inhibition of mouse FFA4 receptor expressed in U2OS cells
50045094	7	ChEMBL_1454436 (CHEMBL3365232)	Inhibition of rat FFA4 receptor expressed in U2OS cells
50045094	8	ChEMBL_1456209 (CHEMBL3361964)	Agonist activity at human TRPV4 expressed in HEK cells by aequorin Luminescence/summary (Abse5) assay
50045094	9	ChEMBL_1455265 (CHEMBL3362271)	Inhibition of human SERT by BacMam binding SPA/summary (Abse5) assay
50045094	10	ChEMBL_1455283 (CHEMBL3362289)	Inhibition of human COX2 by FLINT/summary (Abse5) assay
50045094	11	ChEMBL_1455266 (CHEMBL3362272)	Agonist activity at human 5-HT1B receptor by LEADseeker GTPgS/summary (Abse5) assay
50045094	12	ChEMBL_1455267 (CHEMBL3362273)	Antagonist activity at human 5-HT1B receptor by LEADseeker GTPgS/summary (Abse5) assay
50045094	13	ChEMBL_1455274 (CHEMBL3362280)	Agonist activity at human adenosine A2A receptor by whole cell LANCE TR-FRET/summary (Abse5) assay
50045094	14	ChEMBL_1455277 (CHEMBL3362283)	Activity at human alpha2C adrenergic receptor expressed in CHO-K1 cells assessed as intracellular calcium by LANCE TR FRET/summary (Abse5) assay
50045094	15	ChEMBL_1455279 (CHEMBL3362285)	Agonist activity at human beta 2 adrenergic receptor by TR FRET/summary (Abse5) assay
50045094	16	ChEMBL_1455280 (CHEMBL3362286)	Antagonist activity at human beta 2 adrenergic receptor by TR FRET/summary (Abse5) assay
50045094	17	ChEMBL_1455285 (CHEMBL3362291)	Antagonist activity at human dopamine D2 receptor by GTPgS SPA/summary (Abse5) assay
50045094	18	ChEMBL_1455297 (CHEMBL3362661)	Agonist activity against mouse GPR40 expressed in U2OS cells by FLIPR/summary (Abse5) assay
50045094	19	ChEMBL_1455299 (CHEMBL3362663)	Antagonist activity at human GPR41 expressed in U2OS cells by brilliant black FLIPR/summary (Abse5) assay
50045094	20	ChEMBL_1455301 (CHEMBL3362665)	Agonist activity against mouse GPR41 expressed in U2OS cells by brilliant black FLIPR/summary (Abse5) assay
50045094	21	ChEMBL_1455318 (CHEMBL3362682)	Agonist activity at human MC4 receptor assessed as cAMP level by HTRF LANCE/summary (Abse5) assay
50045094	22	ChEMBL_1455284 (CHEMBL3362290)	Antagonist activity at human dopamine D2 receptor by GTPgS SPA assay
50045094	23	ChEMBL_1455273 (CHEMBL3362279)	Antagonist activity at human ACVR2B by Ant A204 luciferase reporter/summary (Abse5) assay
50045094	24	ChEMBL_1455282 (CHEMBL3362288)	Agonist activity at human CMKLR1 assessed as melanophore absorbance by summary (Abse5) assay
50045094	25	ChEMBL_1455294 (CHEMBL3362658)	Agonist activity against human GPR135 assessed as melanophore absorbance by summary (Abse5) assay
50045094	26	ChEMBL_1455307 (CHEMBL3362671)	Inhibition of human GSK3B by FP assay
50045094	27	ChEMBL_1455319 (CHEMBL3362683)	Antagonist activity at human MC4 receptor assessed as cAMP level by HTRF LANCE/summary (Abse5) assay
50045094	28	ChEMBL_1456183 (CHEMBL3361938)	Inhibition of human PDE4B by luminescence assay
50045094	29	ChEMBL_1456186 (CHEMBL3361941)	Inhibition of human PI3K gamma by TR-FRET/summary (Abse5) assay
50045094	30	ChEMBL_1456187 (CHEMBL3361942)	Binding affinity to human PPARalpha by SPA/Abse5 assay
50045094	31	ChEMBL_1456188 (CHEMBL3361943)	Binding affinity to human PPARalpha by SPA/summary (Abse5) assay
50045094	32	ChEMBL_1456189 (CHEMBL3361944)	Binding affinity to human PPARdelta by SPA/Abse5 assay
50045094	33	ChEMBL_1456190 (CHEMBL3361945)	Binding affinity to human PPARdelta by SPA/summary (Abse5) assay
50045094	34	ChEMBL_1456191 (CHEMBL3361946)	Binding affinity to human PPARgamma by SPA/Abse5 assay
50045094	35	ChEMBL_1456192 (CHEMBL3361947)	Binding affinity to human PPARgamma by SPA/summary (Abse5) assay
50045094	36	ChEMBL_1456193 (CHEMBL3361948)	Agonist activity at human PS1 receptor by luciferase reporter/Abse5 assay
50045094	37	ChEMBL_1456204 (CHEMBL3361959)	Agonist activity at human TAS2R9 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	38	ChEMBL_1455281 (CHEMBL3362287)	Antagonist activity at human CaV1.2 channel expressed in HEK293 cells by FLIPR/summary (Abse5) assay
50045094	39	ChEMBL_1455314 (CHEMBL3362678)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) assay
50045094	40	ChEMBL_1455315 (CHEMBL3362679)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) assay
50045094	41	ChEMBL_1455316 (CHEMBL3362680)	Agonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) assay
50045094	42	ChEMBL_1455317 (CHEMBL3362681)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as intracellular calcium level by fluorescence/summary (Abse5) assay
50045094	43	ChEMBL_1456197 (CHEMBL3361952)	Agonist activity at human TAS2R14 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	44	ChEMBL_1456201 (CHEMBL3361956)	Agonist activity at human TAS2R4 expressed in U2OS cells by Ga16gust44 Clone 2B FLIPR/summary (Abse5) assay
50045094	45	ChEMBL_1457119 (CHEMBL3369463)	Antagonist activity at human 5-HT2A receptor expressed in HEK cells by luminescence/summary (Abse5) assay
50045094	46	ChEMBL_1454427 (CHEMBL3365223)	Agonist activity at human FFA3 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	47	ChEMBL_1454426 (CHEMBL3365222)	Agonist activity at human FFA2 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	48	ChEMBL_1454425 (CHEMBL3365221)	Agonist activity at human FFA1 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	49	ChEMBL_1454428 (CHEMBL3365224)	Agonist activity at rat FFA1 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	50	ChEMBL_1454429 (CHEMBL3365225)	Agonist activity at rat FFA2 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	51	ChEMBL_1454431 (CHEMBL3365227)	Agonist activity at mouse FFA1 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	52	ChEMBL_1454432 (CHEMBL3365228)	Agonist activity at mouse FFA2 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	53	ChEMBL_1454433 (CHEMBL3365229)	Agonist activity at mouse FFA3 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR
50045094	54	ChEMBL_1454437 (CHEMBL3365233)	Inhibition of human FFA1 receptor expressed in U2OS cells
50045094	55	ChEMBL_1455286 (CHEMBL3362292)	Inhibition of human DAT by BacMam Binding SPA/summary (Abse5) assay
50045094	56	ChEMBL_1455320 (CHEMBL3362684)	Inhibition of human Nav1.5 expressed in HEK cells by electrophysiology
50045094	57	ChEMBL_1455322 (CHEMBL3362686)	Inhibition of human NET by BacMam bind SPA/summary (Abse5) assay
50045094	58	ChEMBL_1456179 (CHEMBL3361934)	Agonist activity at human OPRK1 receptor by BacMam GTPgS LEADseeker/summary (Abse5) assay
50045094	59	ChEMBL_1456180 (CHEMBL3361935)	Antagonist activity at human OPRK1 receptor by BacMam GTPgS LEADseeker/summary (Abse5) assay
50045094	60	ChEMBL_1456181 (CHEMBL3361936)	Agonist activity at human OPRM1 receptor by BacMam GTPgS LEADseeker/summary (Abse5) assay
50045094	61	ChEMBL_1456182 (CHEMBL3361937)	Antagonist activity at human OPRM1 receptor by BacMam GTPgS LEADseeker/summary (Abse5) assay
50045094	62	ChEMBL_1455271 (CHEMBL3362277)	Agonist activity at human 5-HT3 receptor by FLIPR/summary (Abse5) assay
50045094	63	ChEMBL_1455272 (CHEMBL3362278)	Agonist activity at human 5-HT3 receptor by FLIPR(Abse5) assay
50045094	64	ChEMBL_1455287 (CHEMBL3362293)	Agonist activity at human endothelin B receptor expressed in CHO cells by luminescence HTS/summary (Abse5) assay
50045094	65	ChEMBL_1455291 (CHEMBL3362655)	Antagonist activity at human GIP receptor expressed in HEK293 cells by IP4 HTRF EFC cAMP/summary (Abse5) assay
50045094	66	ChEMBL_1455292 (CHEMBL3362656)	Agonist activity at human glucagon receptor expressed in CHO cells by luciferase HTS/summary (Abse5) assay
50045094	67	ChEMBL_1455293 (CHEMBL3362657)	Antagonist activity at human glucagon receptor expressed in CHO-K1 cells by LANCE HTRF/summary (Abse5) assay
50045094	68	ChEMBL_1455295 (CHEMBL3362659)	Agonist activity against human GPR39 expressed in CHO cells by BacMam IP1 HTRF/summary (Abse5) assay
50045094	69	ChEMBL_1455296 (CHEMBL3362660)	Agonist activity against human GPR40 expressed in U2OS cells by FLIPR/summary (Abse5) assay
50045094	70	ChEMBL_1455298 (CHEMBL3362662)	Agonist activity against human GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	71	ChEMBL_1455300 (CHEMBL3362664)	Agonist activity against mouse GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	72	ChEMBL_1455302 (CHEMBL3362666)	Agonist activity against rat GPR41 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	73	ChEMBL_1455303 (CHEMBL3362667)	Agonist activity against human GPR43 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	74	ChEMBL_1455305 (CHEMBL3362669)	Agonist activity against mouse GPR43 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	75	ChEMBL_1455306 (CHEMBL3362670)	Agonist activity against rat GPR43 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	76	ChEMBL_1455308 (CHEMBL3362672)	Inhibition of human ERG expressed in CHO cells by dofetilide binding assay
50045094	77	ChEMBL_1455309 (CHEMBL3362673)	Inhibition of human ERG expressed in CHO cells by summary (Abse5) assay
50045094	78	ChEMBL_1455313 (CHEMBL3362677)	Inhibition of human Kv1.5 expressed in CHO cells by electrophysiology
50045094	79	ChEMBL_1455321 (CHEMBL3362685)	Antagonist activity at human NK1 receptor by FLIPR/summary (Abse5) assay
50045094	80	ChEMBL_1456184 (CHEMBL3361939)	Agonist activity at human PePT1 receptor expressed in HEK cells by FLIPR membrane potential/summary (Abse5) assay
50045094	81	ChEMBL_1456194 (CHEMBL3361949)	Agonist activity at human GPR100 expressed in U2OS cells by FLIPR/summary (Abse5) assay
50045094	82	ChEMBL_1456199 (CHEMBL3361954)	Agonist activity at human TAS2R16 expressed in U2OS cells by summary (Abse5) assay
50045094	83	ChEMBL_1456202 (CHEMBL3361957)	Agonist activity at human TAS2R41 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	84	ChEMBL_1456203 (CHEMBL3361958)	Agonist activity at human TAS2R60 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	85	ChEMBL_1456206 (CHEMBL3361961)	Induction of human TRPC3 opening expressed in HEK cells by MSRII FLIPR/summary (Abse5) assay
50045094	86	ChEMBL_1456208 (CHEMBL3361963)	Induction of human TRPM5 opening expressed in HEK293 cells by FLIPR membrane potential/summary (Abse5) assay
50045094	87	ChEMBL_1456210 (CHEMBL3361965)	Antagonist activity at human vasopressin V1a receptor by double wash FLIPR/summary (Abse5) assay
50045094	88	ChEMBL_1455268 (CHEMBL3362274)	Agonist activity at human 5-HT2A receptor expressed in HEK cells by luminescence/summary (Abse5) assay
50045094	89	ChEMBL_1455269 (CHEMBL3362275)	Agonist activity at human 5-HT2C receptor expressed in CHO cells by luminescence/summary (Abse5) assay
50045094	90	ChEMBL_1455270 (CHEMBL3362276)	Antagonist activity at human 5-HT2C receptor expressed in CHO cells by luminescence/summary (Abse5) assay
50045094	91	ChEMBL_1455275 (CHEMBL3362281)	Antagonist activity at human adrenergic alpha1B receptor assessed as intracellular calcium by summary (Abse5) assay
50045094	92	ChEMBL_1455304 (CHEMBL3362668)	Antagonist activity at human GPR43 expressed in U2OS cells by BacMam FLIPR/summary (Abse5) assay
50045094	93	ChEMBL_1455310 (CHEMBL3362674)	Antagonist activity at human histamine H1 receptor by luminescence assay
50045094	94	ChEMBL_1456185 (CHEMBL3361940)	Antagonist activity at human PePT1 receptor expressed in HEK cells by FLIPR membrane potential/summary (Abse5) assay
50045094	95	ChEMBL_1456195 (CHEMBL3361950)	Inhibition of human SGLT1 expressed in U2OS cells by FLIPR membrane potential/summary (Abse5) assay
50045094	96	ChEMBL_1456196 (CHEMBL3361951)	Inhibition of mouse SGLT3b expressed in U2OS cells by FLIPR membrane potential/summary (Abse5) assay
50045094	97	ChEMBL_1456198 (CHEMBL3361953)	Antagonist activity at human TAS2R14 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	98	ChEMBL_1456200 (CHEMBL3361955)	Antagonist activity at human TAS2R16 expressed in U2OS cells by Ga16gust44 Clone 7A FLIPR/summary (Abse5) assay
50045094	99	ChEMBL_1456205 (CHEMBL3361960)	Blocking of human TRPC3 expressed in HEK cells by MSRII FLIPR/summary (Abse5) assay
50045094	100	ChEMBL_1456207 (CHEMBL3361962)	Blocking of human TRPM5 expressed in HEK293 cells by FLIPR membrane potential/summary (Abse5) assay
50045095	1	ChEMBL_1457127 (CHEMBL3369471)	Inhibition of human BCL-2 overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay
50045095	2	ChEMBL_1457128 (CHEMBL3369472)	Inhibition of human BCL-xL overexpressed in mouse FDC-P1 cells assessed as cell viability after 24 hrs by Cell Titer Glo assay
50045095	3	ChEMBL_1457123 (CHEMBL3369467)	Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after 20 mins by fluorescence polarization assay
50045095	4	ChEMBL_1457124 (CHEMBL3369468)	Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after 20 mins by fluorescence polarization assay
50014673	1	ChEMBL_34817 (CHEMBL648961)	Binding affinity for rat angiotensin II receptor, type 1
50045096	1	ChEMBL_1458035 (CHEMBL3367406)	Inhibition of c-Met (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045096	2	ChEMBL_1458036 (CHEMBL3367407)	Inhibition of c-KIT (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045096	3	ChEMBL_1458037 (CHEMBL3367408)	Inhibition of FLT3 (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045096	4	ChEMBL_1458038 (CHEMBL3367409)	Inhibition of PDGFRalpha (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045096	5	ChEMBL_1458039 (CHEMBL3367410)	Inhibition of VEGFR2 (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045096	6	ChEMBL_1458040 (CHEMBL3367411)	Inhibition of EGFR (unknown origin) after 30 mins using poly (Glu,Tyr)4:1 substrate
50045097	1	ChEMBL_1448371 (CHEMBL3376290)	Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Triton X100
50045097	2	ChEMBL_1448373 (CHEMBL3376857)	Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in presence of 0.01% Triton X100
50045097	3	ChEMBL_1449197 (CHEMBL3379871)	Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in presence of 0.01% Triton X100 by UV-Vis spectrophotometry
50045097	4	ChEMBL_1448376 (CHEMBL3376860)	Uncompetitive inhibition of His-tagged Escherichia coli DXR at 1 to 8 uM pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH and varying DXP substrate level
50045097	5	ChEMBL_1448377 (CHEMBL3376861)	Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by UV-Vis spectrophotometry
50045098	1	ChEMBL_1450109 (CHEMBL3374531)	Inhibition of ATM (unknown origin)
50045098	2	ChEMBL_1450107 (CHEMBL3374529)	Inhibition of DNAPK (unknown origin)
50045098	3	ChEMBL_1450106 (CHEMBL3374528)	Inhibition of ATR (unknown origin)
50045098	4	ChEMBL_1450105 (CHEMBL3374527)	Inhibition of mTOR (unknown origin)
50045099	1	ChEMBL_1451795 (CHEMBL3362036)	Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA
50045100	1	ChEMBL_1454471 (CHEMBL3365586)	Partial agonist activity at alpha1 nAChR (unknown origin)
50045100	2	ChEMBL_1454478 (CHEMBL3365593)	Agonist activity at alpha7 nAChR (unknown origin)
50045100	3	ChEMBL_1454480 (CHEMBL3365595)	Inhibition of 5-HT3 receptor (unknown origin)
50045100	4	ChEMBL_1454452 (CHEMBL3365248)	Partial agonist activity at rat alpha7 nAChR
50045100	5	ChEMBL_1454451 (CHEMBL3365247)	Partial agonist activity at rat alpha6 nAChR
50045100	6	ChEMBL_1454439 (CHEMBL3365235)	Partial agonist activity at alpha7 nAChR (unknown origin)
50045100	7	ChEMBL_1453579 (CHEMBL3363164)	Inhibition of DAT (unknown origin) assessed as transporter-mediated dopamine reuptake
50045100	8	ChEMBL_1453578 (CHEMBL3363163)	Non-competitive antagonist activity at alpha7 nAChR (unknown origin)
50045100	9	ChEMBL_1453574 (CHEMBL3363159)	Antagonist activity at human alpha7 nAChR
50014678	1	ChEBML_202251	In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates
50045101	1	ChEMBL_1456270 (CHEMBL3367793)	Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay
50014680	2	ChEMBL_1303 (CHEMBL616680)	Ability to bind to central serotonin 5-hydroxytryptamine 1A receptor in vitro in hippocampus of the rat brain using [3H]8-OH-DPAT radioligand
50014680	1	ChEMBL_2598 (CHEMBL617466)	Ability to bind to central serotonin 5-hydroxytryptamine 2A receptor in vitro in cortex of the rat brain using [3H]ketanserin radioligand
50045101	2	ChEMBL_1456271 (CHEMBL3367794)	Competitive inhibition of PTP1B (unknown origin) using pNPP as substrate by Lineweaver-Burk plot
50045101	3	ChEMBL_1456272 (CHEMBL3367795)	Inhibition of TCPTP (unknown origin) using pNPP as substrate by colorimetric assay
50045101	4	ChEMBL_1456273 (CHEMBL3367796)	Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphatase substrate by colorimetric assay
50045102	1	ChEMBL_1457167 (CHEMBL3369753)	Inhibition of recombinant HIV-1 integrase by strand-transfer assay
50045103	1	ChEMBL_1458076 (CHEMBL3367639)	Inhibition of AChE (unknown origin) using ACh chloride as substrate preincubated for 15 mins before substrate addition by Ellman method
50045104	1	ChEMBL_1458077 (CHEMBL3367640)	Inhibition of Plasmodium falciparum serine protease subtilisin-like protease 1by fluorimetric assay
50045105	1	ChEMBL_1458079 (CHEMBL3367642)	Antagonist activity at human CCR4 expressed in CHO cell membranes by [35S]-GTPgammaS radioligand competition assay
50045106	1	ChEMBL_1458087 (CHEMBL3367650)	Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric method
50014682	1	ChEMBL_86904 (CHEMBL698414)	In vitro binding affinity against rat histamine H3 receptor
50014682	2	ChEMBL_83636 (CHEMBL695766)	Effect on specific [35S]GTP-gamma-S, Binding to HEK293 cell membranes expressing the human Histamine H3 receptor
50014686	1	ChEMBL_31934 (CHEMBL642976)	In vitro inhibitory activity of compound against rat lens aldose reductase
50014689	2	ChEBML_67500	In vitro concentration required to inhibit [3H]estradiol binding to human estrogen receptor alpha expressed in 293T cells
50014689	1	ChEBML_67820	In vitro concentration required to inhibit [3H]estradiol binding to human estrogen receptor beta expressed in 293T cells
50014690	1	ChEBML_100179	In vitro antagonism of LPA-evoked [35S]GTP-gamma-S binding to lysophosphatidic acid receptor 3 in HEK293T cell lines
50045107	1	ChEMBL_1458115 (CHEMBL3367912)	Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
50045107	2	ChEMBL_1458116 (CHEMBL3367913)	Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
50045108	1	ChEMBL_1458980 (CHEMBL3369573)	Binding affinity to FKBP12 (unknown origin) by NMR analysis
50045108	2	ChEMBL_1458981 (CHEMBL3369574)	Binding affinity to p38alpha MAP kinase (unknown origin) by NMR analysis
50045108	3	ChEMBL_1458972 (CHEMBL3369565)	Binding affinity to DHFR (unknown origin) by NMR analysis
50045108	4	ChEMBL_1458974 (CHEMBL3369567)	Binding affinity to galectin-3 (unknown origin)
50045108	5	ChEMBL_1458977 (CHEMBL3369570)	Binding affinity to Trypanosoma brucei 6-phospho-gluconalactonase by NMR analysis
50045108	6	ChEMBL_1458982 (CHEMBL3369575)	Binding affinity to Streptomyces avidinii streptavidin by NMR analysis
50045108	7	ChEMBL_1458985 (CHEMBL3369578)	Binding affinity to calmodulin (unknown origin) by NMR analysis
50045108	8	ChEMBL_1458987 (CHEMBL3369580)	Binding affinity to thiopurine methyltransferase (unknown origin) by NMR analysis
50045109	1	ChEMBL_1459856 (CHEMBL3367279)	Inhibition of MK2 in human THP1 cells assessed as reduction in LPS-induced HSP27 Ser78 phosphorylation after 60 mins
50045109	2	ChEMBL_1459854 (CHEMBL3367277)	Inhibition of CAMK4 (unknown origin)
50045109	3	ChEMBL_1459853 (CHEMBL3367276)	Inhibition of GSK3B (unknown origin)
50045109	4	ChEMBL_1459852 (CHEMBL3367275)	Inhibition of EPHB4 (unknown origin)
50045109	5	ChEMBL_1459851 (CHEMBL3371237)	Inhibition of EGFR (unknown origin)
50045109	6	ChEMBL_1459850 (CHEMBL3371236)	Inhibition of CHK1 (unknown origin)
50045109	7	ChEMBL_1459849 (CHEMBL3371235)	Inhibition of ERK2 (unknown origin)
50045109	8	ChEMBL_1459848 (CHEMBL3371234)	Inhibition of IGF1R (unknown origin)
50045109	9	ChEMBL_1459847 (CHEMBL3371233)	Inhibition of LCK (unknown origin)
50045109	10	ChEMBL_1459846 (CHEMBL3371232)	Inhibition of MST2 (unknown origin)
50045109	11	ChEMBL_1459845 (CHEMBL3371231)	Inhibition of TSSK2 (unknown origin)
50045109	12	ChEMBL_1459844 (CHEMBL3371230)	Inhibition of MET (unknown origin)
50045109	13	ChEMBL_1459843 (CHEMBL3371229)	Inhibition of KDR (unknown origin)
50045109	14	ChEMBL_1459842 (CHEMBL3371228)	Inhibition of JAK2 (unknown origin)
50045109	15	ChEMBL_1459841 (CHEMBL3371227)	Inhibition of ROCK2 (unknown origin)
50045109	16	ChEMBL_1459840 (CHEMBL3371226)	Inhibition of RSK2 (unknown origin)
50045109	17	ChEMBL_1459009 (CHEMBL3369602)	Inhibition of CDK2 (unknown origin)
50045109	18	ChEMBL_1459008 (CHEMBL3369601)	Inhibition of IKKB (unknown origin)
50045109	19	ChEMBL_1459007 (CHEMBL3369600)	Inhibition of AKT1 (unknown origin)
50045109	20	ChEMBL_1459006 (CHEMBL3369599)	Inhibition of IRAK4 (unknown origin)
50045109	21	ChEMBL_1459005 (CHEMBL3369598)	Inhibition of PKCA (unknown origin)
50045109	22	ChEMBL_1459004 (CHEMBL3369597)	Inhibition of NEK2 (unknown origin)
50045109	23	ChEMBL_1459003 (CHEMBL3369596)	Inhibition of CSNK1D (unknown origin)
50045109	24	ChEMBL_1459002 (CHEMBL3369595)	Inhibition of PLK3 (unknown origin)
50045109	25	ChEMBL_1459001 (CHEMBL3369594)	Inhibition of FLT3 (unknown origin)
50045109	26	ChEMBL_1458999 (CHEMBL3369592)	Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay
50045110	1	ChEMBL_1459860 (CHEMBL3367283)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes
50045111	1	ChEMBL_1459863 (CHEMBL3367286)	Inhibition of goat liver cathepsin B using BANA substrate pre-incubated 30 mins before substrate addition by colorimetry
50045111	2	ChEMBL_1459864 (CHEMBL3367287)	Inhibition of goat liver cathepsin H using Leu-betaNA substrate pre-incubated 30 mins before substrate addition by colorimetry
50045111	3	ChEMBL_1459865 (CHEMBL3367288)	Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis
50045111	4	ChEMBL_1459871 (CHEMBL3367294)	Competitive inhibition of goat brain cathepsin B
50045111	5	ChEMBL_1459866 (CHEMBL3367289)	Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis
50014694	1	ChEBML_195979	Ability to displace [3H]ATRA from Retinoic acid receptor gamma in CV-1 cells
50014699	1	ChEBML_199181	Inhibitory activity against [125I]acetyl-LDL binding to mouse peritoneal macrophage scavenger receptor
50014702	2	ChEMBL_214965 (CHEMBL821194)	Inhibitory effect against human voltage-gated potassium channel subunit Kv1.5 expressed in Xenopus oocytes
50045111	6	ChEMBL_1459867 (CHEMBL3367290)	Non-competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis
50014704	1	ChEBML_213286	Inhibitory activity against mushroom tyrosinase
50014705	1	ChEBML_156320	Inhibition of human platelet phosphodiesterase 2
50045111	7	ChEMBL_1459868 (CHEMBL3367291)	Non-competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis
50045111	8	ChEMBL_1459869 (CHEMBL3367292)	Inhibition of human liver cathepsin B
50045111	9	ChEMBL_1459870 (CHEMBL3367293)	Inhibition of human liver cathepsin H
50045112	1	ChEMBL_1447531 (CHEMBL3373138)	Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric method
50045113	1	ChEMBL_1447540 (CHEMBL3373147)	Displacement of [3H]HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting
50045113	2	ChEMBL_1447539 (CHEMBL3373146)	Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-EBNA cells by liquid scintillation counting
50045113	3	ChEMBL_1447542 (CHEMBL3373149)	Binding affinity to 5-HT2A receptor (unknown origin)
50045113	4	ChEMBL_1447543 (CHEMBL3373150)	Binding affinity to 5-HT2C receptor (unknown origin)
50045113	5	ChEMBL_1447545 (CHEMBL3373152)	Binding affinity to dopamine D2 receptor (unknown origin)
50045113	6	ChEMBL_1447546 (CHEMBL3373153)	Binding affinity to muscarinic M1 receptor (unknown origin)
50045113	7	ChEMBL_1447547 (CHEMBL3373154)	Inhibition of human 5-HT2B receptor expressed in HEK293-EBNA cells assessed as [3H]PI metabolism by by liquid scintillation counting
50045113	8	ChEMBL_1448378 (CHEMBL3376862)	Inhibition of human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system
50045114	1	ChEMBL_1448383 (CHEMBL3376867)	Agonist activity at rat KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay
50014712	2	ChEBML_104895	Inhibition of matrix metalloprotease-3
50014712	5	ChEBML_104554	Inhibition of matrix metalloprotease-2
50014712	6	ChEBML_106641	Inhibition of matrix metalloprotease-13
50014712	3	ChEBML_212749	Inhibition of Tumor necrosis factor alpha converting enzyme
50045114	2	ChEMBL_1448385 (CHEMBL3376869)	Displacement of radioligand from human KISS1R transfected in CHO cells
50045114	3	ChEMBL_1448386 (CHEMBL3376870)	Displacement of radioligand from rat KISS1R transfected in CHO cells
50014714	3	ChEMBL_218195 (CHEMBL881547)	Affinity for alphaIIb-beta3 integrin
50014714	4	ChEMBL_32659 (CHEMBL642827)	Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).
50014716	3	ChEBML_201481	In vitro binding affinity towards human serotonin transporter
50014716	2	ChEBML_33077	In vitro binding affinity to the human alpha-2A adrenergic receptor
50014716	1	ChEBML_33535	In vitro binding affinity to human alpha-2C adrenergic receptor
50045114	4	ChEMBL_1448382 (CHEMBL3376866)	Agonist activity at human KISS1R transfected in CHO cells assessed as intracellular calcium flux after 24 hrs by functional FLIPR assay
50014719	2	ChEBML_208709	In vitro inhibitory activity against human thrombin
50014719	1	ChEBML_48629	In vitro inhibitory activity against human Coagulation factor X
50014720	2	ChEMBL_34554 (CHEMBL646887)	Inhibition of yeast alpha-glucosidase by genistein
50014722	3	ChEBML_156330	Inhibitory concentration against phosphodiesterase 2 from rat kidney
50045115	1	ChEMBL_1449308 (CHEMBL3371454)	Inhibition of rabbit reticulocyte 15-LOX by UV-visible spectrophotometry
50045115	2	ChEMBL_1449307 (CHEMBL3371453)	Inhibition of human reticulocyte 15-lipoxygenase-2 by UV-visible spectrophotometry
50045115	3	ChEMBL_1449306 (CHEMBL3371452)	Inhibition of human reticulocyte 15-lipoxygenase-1 by UV-visible spectrophotometry
50045115	4	ChEMBL_1449305 (CHEMBL3371451)	Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry
50045115	5	ChEMBL_1449304 (CHEMBL3371450)	Inhibition of human leukocyte 5-lipoxygenase by UV-visible spectrophotometry
50014727	1	ChEBML_215032	In vitro inhibitory concentration against [3H]AVP binding to cloned human vasopressin receptor
50014727	2	ChEBML_214408	In vitro inhibitory concentration against [3H]AVP binding to cloned human vasopressin V1a receptor
50045115	6	ChEMBL_1450151 (CHEMBL3375138)	Mixed type inhibition of human platelet 12-lipoxygenase assessed as equilibrium inhibitor constant of dissociation from enzyme by measuring 12-HpETE formation in presence of 0.01% Triton-X-100 by Dixon plot based steady-state inhibition kinetics assay
50045115	7	ChEMBL_1450147 (CHEMBL3374569)	Irreversible inhibition of human reticulocyte 15-lipoxygenase-1 by assessed as equilibrium inhibitor constant
50014731	2	ChEBML_63215	Ability to displace [125I]ET1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.
50014731	1	ChEBML_64196	Inhibitory concentration against Endothelin B receptor
50014731	3	ChEBML_65487	Inhibition of [125]ET-1 binding to human Endothelin A receptor expressed in vero cells
50045116	1	ChEMBL_1451836 (CHEMBL3362445)	Binding affinity to FLAG/tGFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as localization after 24 hrs by fluorescence microscopy
50014733	3	ChEMBL_157738 (CHEMBL765176)	Inhibitory activity against HIV-I protease was determined
50014733	2	ChEMBL_159616 (CHEMBL760097)	Inhibitory activity against HIV-I protease was determined
50014734	4	ChEMBL_65482 (CHEMBL682357)	Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radioligand
50014734	3	ChEMBL_63683 (CHEMBL670641)	Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radioligand
50014734	1	ChEMBL_51543 (CHEMBL660403)	Inhibition of human cytochrome P450 2C9
50014734	2	ChEMBL_51732 (CHEMBL665267)	Inhibition of human cytochrome P450 2D6
50014734	5	ChEMBL_51923 (CHEMBL663571)	Inhibition of human cytochrome P450 3A4
50045117	1	ChEMBL_1453622 (CHEMBL3363471)	Inhibition of p38alpha MAPK (unknown origin) by radiometric assay
50045117	2	ChEMBL_1453623 (CHEMBL3363472)	Inhibition of CK1-delta (unknown origin) by radiometric assay
50045117	3	ChEMBL_1453624 (CHEMBL3363473)	Inhibition of JAK1 (unknown origin) by radiometric assay
50045117	4	ChEMBL_1453625 (CHEMBL3363474)	Inhibition of JAK2 (unknown origin) by radiometric assay
50045117	5	ChEMBL_1453626 (CHEMBL3363475)	Inhibition of JAK3 (unknown origin) by radiometric assay
50045117	6	ChEMBL_1453633 (CHEMBL3363482)	Inhibition of p38alpha MAPK (unknown origin)
50045118	1	ChEMBL_1453637 (CHEMBL3363486)	Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells
50045118	2	ChEMBL_1453638 (CHEMBL3363487)	Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells
50045119	1	ChEMBL_1454505 (CHEMBL3365947)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-50-N-methyluronamide from human recombinant A3AR expressed in CHO cells
50045119	2	ChEMBL_1454507 (CHEMBL3365949)	Agonist activity at human recombinant A3AR expressed in CHO cells assessed as inhibition of forskolin-induced stimulation of cAMP production
50045119	3	ChEMBL_1454499 (CHEMBL3365614)	Binding affinity to A3AR (unknown origin)
50045120	1	ChEMBL_1455361 (CHEMBL3362990)	Antagonist activity at P2Y2 receptor (unknown origin)
50045120	2	ChEMBL_1455362 (CHEMBL3362991)	Antagonist activity at P2Y12 receptor (unknown origin)
50045120	3	ChEMBL_1454530 (CHEMBL3365972)	Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay
50045120	4	ChEMBL_1454531 (CHEMBL3365973)	Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min followed by ADP induction measured at 5 mins by aggregometric analysis
50045121	1	ChEMBL_1455370 (CHEMBL3363266)	Inhibition of COX2 (unknown origin) by solid phase ELISA method
50045121	2	ChEMBL_1455369 (CHEMBL3363265)	Inhibition of COX1 (unknown origin) by solid phase ELISA method
50045122	1	ChEMBL_1455387 (CHEMBL3363283)	Inhibition of BuChE (unknown origin)
50045122	2	ChEMBL_1455386 (CHEMBL3363282)	Inhibition of AChE (unknown origin)
50045122	3	ChEMBL_1455379 (CHEMBL3363275)	Inhibition of Src kinase (unknown origin)
50045123	1	ChEMBL_1456351 (CHEMBL3368360)	Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay
50045123	2	ChEMBL_1456350 (CHEMBL3368359)	Inhibition of human Nav1.5 expressed in CHO cells by electrophysiology assay
50045123	3	ChEMBL_1456349 (CHEMBL3368358)	Inhibition of human ERG expressed in CHO cells by electrophysiology assay
50045123	4	ChEMBL_1456348 (CHEMBL3368357)	Inhibition of human CYP2D6 after 20 to 50 mins by high-throughput fluorescence assay
50045123	5	ChEMBL_1456341 (CHEMBL3368109)	Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting
50045123	6	ChEMBL_1456340 (CHEMBL3368108)	Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay
50045124	1	ChEMBL_1457226 (CHEMBL3370270)	Inhibition of ovine COX1 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
50045124	2	ChEMBL_1457227 (CHEMBL3370271)	Inhibition of human recombinant COX2 using arachidonic acid substrate assessed as PGE2 production ELISA method after 2 mins
50045124	3	ChEMBL_1457228 (CHEMBL3370272)	Inhibition of soybean lipoxygenase after 5 mins by colorimetric assay
50045125	1	ChEMBL_1457234 (CHEMBL3370278)	Inhibition of full length human p38alpha MAP kinase by Off-chip mobility shift assay
50045125	2	ChEMBL_1457239 (CHEMBL3370283)	Inhibition of human p38beta MAP kinase by Off-chip mobility shift assay
50045125	3	ChEMBL_1457242 (CHEMBL3370286)	Inhibition of human JNK2 kinase by Off-chip mobility shift assay
50045125	4	ChEMBL_1457243 (CHEMBL3370287)	Inhibition of human JNK3 kinase by Off-chip mobility shift assay
50045126	1	ChEMBL_1458157 (CHEMBL3368203)	Inhibition of human CYP3A4 using testosterone as substrate after 10 mins by SPE-MS analysis in presence of NADPH
50045126	2	ChEMBL_1458158 (CHEMBL3368204)	Inhibition of human CYP2C9 using diclofenac as substrate after 10 mins by SPE-MS analysis in presence of NADPH
50045126	3	ChEMBL_1458159 (CHEMBL3368205)	Inhibition of human CYP2D6 using dextromethorphan as substrate after 10 mins by SPE-MS analysis in presence of NADPH
50045126	4	ChEMBL_1458147 (CHEMBL3368193)	Inhibition of full-length recombinant PKCepsilon (unknown origin) using ERMRPRKRQGSVRRRV peptide substrate by coupled-enzyme assay
50045127	1	ChEMBL_1458165 (CHEMBL3368211)	Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry
50045127	2	ChEMBL_1458163 (CHEMBL3368209)	Inhibition of human recombinant IDO using L-tryptophan as substrate
50045127	3	ChEMBL_1458164 (CHEMBL3368210)	Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition measured after 4 hrs by spectrophotometry
50014746	1	ChEMBL_53368 (CHEMBL666614)	Inhibition of human Dipeptidylpeptidase II (DPP II)
50014746	2	ChEMBL_53374 (CHEMBL666619)	Inhibition of human Dipeptidylpeptidase IV (DPP IV)
50014755	2	ChEBML_143203	Agonistic activity was determined against human Neuromedin B receptor transfected in HEK293 cells as accumulation levels of inositol phosphate
50014756	3	ChEBML_48032	Inhibitory activity against human Complement C1s subcomponent in erythrocyte hemolytic assay
50014756	6	ChEBML_49140	In vitro binding affinity towards Coagulation factor X was determined
50014756	1	ChEBML_213078	In vitro binding affinity towards trypsin was determined
50014756	5	ChEBML_209098	In vitro binding affinity towards thrombin was determined
50014756	4	ChEBML_155602	In vitro binding affinity towards plasmin was determined
50045128	1	ChEMBL_1447567 (CHEMBL3373762)	Inhibition of CA-2 (unknown origin) after 15 mins by CO2 hydration assay
50045128	2	ChEMBL_1447570 (CHEMBL3373765)	Inhibition of CA-12 (unknown origin) after 15 mins by CO2 hydration assay
50045128	3	ChEMBL_1447569 (CHEMBL3373764)	Inhibition of CA-9 (unknown origin) after 15 mins by CO2 hydration assay
50014759	1	ChEBML_213066	Binding affinity against trypsin
50014759	6	ChEBML_155598	Binding affinity against plasmin
50014759	4	ChEBML_208233	Binding affinity towards tissue type plasminogen activator
50014759	5	ChEBML_209089	Binding affinity against thrombin
50014759	3	ChEBML_210760	Binding affinity towards Urokinase-type plasminogen activator (urokinase)
50045128	4	ChEMBL_1447565 (CHEMBL3373760)	Inhibition of CA-1 (unknown origin) after 15 mins by CO2 hydration assay
50045129	2	ChEMBL_1447572 (CHEMBL3373767)	Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by spectrophotometry
50014761	4	ChEMBL_3330 (CHEMBL619030)	Tested for agonist activity at the 5-hydroxytryptamine 4 receptor in the rat tunica muscularis mucosae (TMM) assay of racemate mixture
50014761	8	ChEBML_3330	Tested for agonist activity at the 5-hydroxytryptamine 4 receptor in the rat tunica muscularis mucosae (TMM) assay of racemate mixture
50014761	3	ChEBML_61127	Compound was evaluated for Dopamine receptor D2 binding
50045130	1	ChEMBL_1447575 (CHEMBL3373770)	Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method
50014761	9	ChEBML_58971	Compound was evaluated for Dopamine receptor D1 binding
50014761	10	ChEMBL_792 (CHEMBL615396)	Compound was evaluated for 5-hydroxytryptamine 1 receptor binding
50045130	2	ChEMBL_1447583 (CHEMBL3373778)	Inhibition of CYP2C9 (unknown origin)
50045130	3	ChEMBL_1447584 (CHEMBL3373779)	Inhibition of CYP2C19 (unknown origin)
50045131	1	ChEMBL_1447589 (CHEMBL3373784)	Inhibition of prolyl oligopeptidase (unknown origin)
50045132	1	ChEMBL_1447591 (CHEMBL3373786)	Antagonist activity at 5-oxo-ETE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins prior to 5-oxo-ETE addition by indo-1 staining-based spectrofluorometry
50014765	1	ChEBML_105897	Effective concentration against metabotropic glutamate receptor 2
50014767	1	ChEBML_28810	Concentration required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2
50014767	2	ChEBML_28656	Concentration required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1
50045133	1	ChEMBL_1447594 (CHEMBL3373789)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of heat-induced increase in intracellular Ca2+ level by FLIPR assay
50045133	2	ChEMBL_1447592 (CHEMBL3373787)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR assay
50045133	3	ChEMBL_1447593 (CHEMBL3373788)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of pH pH 6.0 to 6.3-induced increase in intracellular Ca2+ level by FLIPR assay
50045133	4	ChEMBL_1447595 (CHEMBL3374353)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced increase in intracellular Ca2+ level by FLIPR assay
50045134	1	ChEMBL_1448416 (CHEMBL3377444)	Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction
50045134	2	ChEMBL_1448420 (CHEMBL3377448)	Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction
50045134	3	ChEMBL_1448425 (CHEMBL3377453)	Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction
50045134	4	ChEMBL_1448429 (CHEMBL3377457)	Inhibition of L-type calcium channel in endothelium-intact Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction
50045134	5	ChEMBL_1448446 (CHEMBL3378066)	Inhibition of L-type calcium channel in Wistar rat aorta rings assessed as reduction in L-type Ba(2+) current at Vh of -50 mV
50045135	1	ChEMBL_1448459 (CHEMBL3378079)	Inhibition of human ERG over-expressed in HEK293 cell membrane by [3H]dofetilide binding assay
50045136	1	ChEMBL_1449328 (CHEMBL3372056)	Inhibition of human trypsin
50045136	2	ChEMBL_1449329 (CHEMBL3372057)	Inhibition of human thrombin
50045136	3	ChEMBL_1449330 (CHEMBL3372058)	Inhibition of human plasma kallikrein
50045136	4	ChEMBL_1449332 (CHEMBL3372060)	Inhibition of human activated protein C
50045136	5	ChEMBL_1449333 (CHEMBL3372061)	Inhibition of human factor 9a
50045136	6	ChEMBL_1449335 (CHEMBL3372063)	Inhibition of human factor 11a
50045136	7	ChEMBL_1449336 (CHEMBL3372064)	Inhibition of human urokinase
50045136	8	ChEMBL_1449337 (CHEMBL3372065)	Inhibition of human tissue plasminogen activator
50045136	9	ChEMBL_1449322 (CHEMBL3371468)	Inhibition of purified human factor Xa
50045137	1	ChEMBL_1449342 (CHEMBL3372070)	Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry
50045138	1	ChEMBL_1449353 (CHEMBL3372081)	Inhibition of Sprague-Dawley rat liver steroid 5-alpha-reductase assessed as inhibition of testosterone conversion to dihydrotestosterone incubated for 30 mins by HPLC method
50045139	1	ChEMBL_1449372 (CHEMBL3372649)	Inhibition of recombinant MET kinase domain (unknown origin)
50045139	2	ChEMBL_1449373 (CHEMBL3372650)	Inhibition of recombinant VEGFR2 kinase domain (unknown origin)
50045139	3	ChEMBL_1449374 (CHEMBL3372651)	Inhibition of c-Kit (unknown origin)
50045139	4	ChEMBL_1449375 (CHEMBL3372652)	Inhibition of RET (unknown origin)
50045140	1	ChEMBL_1451879 (CHEMBL3362813)	Inhibition of PPM1D (unknown origin) phosphatase activity using peptide substrate TDDEMT*GY*VAT by malachite green/molybdate based assay
50045141	1	ChEMBL_1451895 (CHEMBL3363065)	Inhibition of human recombinant PTP1B using pNPP substrate at 37 degC measured after 30 mins
50014780	2	ChEBML_105141	Ability of compound binding to human Methionine aminopeptidase 2 was determined
50014780	1	ChEMBL_105141 (CHEMBL716772)	Ability of compound binding to human Methionine aminopeptidase 2 was determined
50014783	2	ChEBML_209601	Binding affinity against human recombinant Thromboxane A2 receptor was determined using radioligand competition binding assay
50014785	1	ChEBML_72489	Competitive binding affinity against Growth factor receptor bound protein 2 was assessed using SHC(pTyr-317) phospopeptide in biacore surface plasmon resonance (SPR) method
50014787	4	ChEMBL_54504 (CHEMBL663852)	Inhibitory concentration against human DNA topoisomerase II, alpha mediated relaxation of pBR322
50014787	3	ChEMBL_54505 (CHEMBL663853)	Inhibitory concentration against human DNA topoisomerase II, alpha mediated relaxation of pBR322; no measurable activity
50014788	2	ChEBML_213299	Inhibitory activity against human urokinase-type plasminogen activator was evaluated using S-2444 as substrate
50014788	4	ChEBML_208067	Inhibitory activity against human tissue type plasminogen activator using S-2444
50014788	1	ChEBML_155249	Inhibitory activity against human plasmin was evaluated using chromozym-PL as substrate at 1 mM
50014788	3	ChEMBL_155249 (CHEMBL764738)	Inhibitory activity against human plasmin was evaluated using chromozym-PL as substrate at 1 mM
50045142	1	ChEMBL_1451901 (CHEMBL3363071)	Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA plate reader analysis
50045143	1	ChEMBL_1451907 (CHEMBL3363077)	Agonist activity at human TRPA1 by [45Ca2+] fluorimetry assay
50045143	2	ChEMBL_1451906 (CHEMBL3363076)	Agonist activity at rat TRPA1 by [45Ca2+] fluorimetry assay
50014791	11	ChEBML_152990	Inhibitory concentration against human protein kinase C-betaII using histone as substrate
50014791	8	ChEBML_152464	Inhibition of PDK1
50014791	6	ChEBML_195551	Inhibition of Ribosomal S6 kinase 3
50014791	7	ChEBML_103931	Inhibition of MSK-1 kinase
50014791	5	ChEBML_153125	Inhibition of protein kinase C-gamma
50014791	10	ChEBML_71154	Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate
50045143	3	ChEMBL_1451904 (CHEMBL3363074)	Antagonist activity at human TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay
50014791	1	ChEBML_161954	Inhibition of Protein tyrosine kinase Lyn
50014792	2	ChEBML_208710	In vitro inhibition of human thrombin.
50014792	1	ChEBML_213079	In vitro inhibition of bovine trypsin.
50014792	3	ChEBML_49143	In vitro inhibition of Coagulation factor Xa.
50045143	4	ChEMBL_1451902 (CHEMBL3363072)	Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay
50014794	1	ChEBML_199	Percent inhibition against 11-beta-hydroxysteroid dehydrogenase 2 of wistar rat kidney at 10 uM was determined using [3H]cortisol
50045144	1	ChEMBL_1452788 (CHEMBL3365130)	Inhibition of bovine brain tubulin polymerization measured for 1 hr at 1 min intervals by fluorescence assay
50045145	1	ChEMBL_1452804 (CHEMBL3365475)	Inhibition of Escherichia coli MurC after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay
50045145	2	ChEMBL_1452800 (CHEMBL3365142)	Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay
50045145	3	ChEMBL_1452802 (CHEMBL3365144)	Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay
50045145	4	ChEMBL_1452798 (CHEMBL3365140)	Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay
50045145	5	ChEMBL_1452806 (CHEMBL3365477)	Competitive inhibition of Escherichia coli MurD using D-Glu substrate by steady-state enzyme kinetics assay
50045145	6	ChEMBL_1452807 (CHEMBL3365478)	Partial un-competitive inhibition of Escherichia coli MurD using ATP substrate by steady-state enzyme kinetics assay
50045145	7	ChEMBL_1452808 (CHEMBL3365479)	Partial non-competitive inhibition of Escherichia coli MurD using UMA substrate by steady-state enzyme kinetics assay
50045146	1	ChEMBL_1453678 (CHEMBL3363784)	Binding affinity to human recombinant N-terminal Avi-tagged glutamate carboxypeptidase 2 extracellular domain (44 to 750 amino acids) using biotin-tagged compound immobilized on neutravidin after 9 mins by SPR assay
50045146	2	ChEMBL_1453676 (CHEMBL3363782)	Inhibition of human recombinant N-terminal Avi-tagged glutamate carboxypeptidase 2 extracellular domain (44 to 750 amino acids) using pteroyl-di-L-glutamate substrate by HPLC method
50014796	1	ChEMBL_60877 (CHEMBL673524)	Concentration required against dynamin-1 GTPase activity of sheep brain; increased dynamin I GTPase activity at 30 uM.
50045147	1	ChEMBL_1453690 (CHEMBL3364092)	Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate
50014798	2	ChEMBL_49004 (CHEMBL662885)	Concentration required to inhibit human Cell division cycle 25A activity; Value ranges from 0.44 uM to 0.89 uM
50014798	1	ChEBML_49024	Concentration required to inhibit human Cell division cycle 25B activity
50045147	2	ChEMBL_1453689 (CHEMBL3364091)	Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mins
50045147	3	ChEMBL_1453688 (CHEMBL3364090)	Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 mins
50045147	4	ChEMBL_1453687 (CHEMBL3364089)	Inhibition of rat brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulphate substrate after 30 mins
50045147	5	ChEMBL_1453686 (CHEMBL3364088)	Inhibition of human brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulphate substrate after 30 mins
50045147	6	ChEMBL_1453699 (CHEMBL3364101)	Inhibition of rat MAO-B in rat-liver mitochondrial-fraction using [14C]-PEA substrate
50045147	7	ChEMBL_1453698 (CHEMBL3364100)	Inhibition of rat MAO-A in rat-liver mitochondrial-fraction using [14C]-5-HT substrate
50045147	8	ChEMBL_1453693 (CHEMBL3364095)	Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate
50045147	9	ChEMBL_1453692 (CHEMBL3364094)	Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate
50014802	1	ChEBML_31364	Binding affinity against human Adenosine A2a receptor (hA2a)
50014802	2	ChEBML_27572	Binding affinity against human Adenosine A1 receptor
50045147	10	ChEMBL_1453691 (CHEMBL3364093)	Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate
50014812	5	ChEMBL_144654 (CHEMBL752668)	Binding affinity against human Nociceptin receptor on CHO cell membranes by [3H]N/OFQ displacement.
50014812	6	ChEMBL_148097 (CHEMBL751579)	Binding affinity against human Opioid receptor mu 1 on CHO cell membranes was determined by [3H]DAMGO displacement.
50014812	2	ChEMBL_145241 (CHEMBL755692)	Binding affinity against human Opioid receptor kappa 1 on CHO cell membranes by [3H]U-69593 displacement.
50045148	1	ChEMBL_1453700 (CHEMBL3364102)	Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay
50014812	3	ChEMBL_144651 (CHEMBL752665)	Concentration required for stimulation of [35S]GTP-gamma-S, binding NOP receptor in cell membranes
50045149	1	ChEMBL_1454571 (CHEMBL3366333)	Inhibition of human telomerase
50045150	1	ChEMBL_1454592 (CHEMBL3366704)	Inhibition of ATPase activity of Staphylococcus aureus GyrB
50045150	2	ChEMBL_1454591 (CHEMBL3366703)	Inhibition of ATPase activity of Escherichia coli ParE
50045150	3	ChEMBL_1455461 (CHEMBL3363893)	Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate
50045150	4	ChEMBL_1455462 (CHEMBL3363894)	Inhibition of ATPase activity of human MRP2 assessed as inorganic phosphate
50045150	5	ChEMBL_1455463 (CHEMBL3363895)	Stimulation of ATPase activity of rat Mrp2 assessed as inorganic phosphate
50045150	6	ChEMBL_1455464 (CHEMBL3363896)	Inhibition of ATPase activity of rat Mrp2 assessed as inorganic phosphate
50014816	1	ChEMBL_27924 (CHEMBL642332)	Binding affinity against adenosine A2 receptor in human striatal membranes using [3H]CGS-21680 as radioligand
50014816	5	ChEMBL_29112 (CHEMBL638724)	Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]CHA as radioligand
50014816	6	ChEMBL_27571 (CHEMBL643493)	Binding affinity against adenosine A1 receptor in human cortical membranes using [3H]CHA as radioligand
50014816	4	ChEMBL_27616 (CHEMBL639492)	Binding affinity against adenosine A2 receptor in bovine striatal membranes using [3H]-CGS-21,680 as radioligand
50014816	2	ChEMBL_27451 (CHEMBL641817)	Displacement of [3H]DPCPX from adenosine A1 receptor in human brain cortical membranes
50014816	3	ChEMBL_29102 (CHEMBL638714)	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain cortical membranes
50014817	1	ChEMBL_104749 (CHEMBL715874)	Inhibition of human stromelysin-1 (MMP-3)
50014817	2	ChEMBL_104408 (CHEMBL715011)	Inhibition of human Matrix metalloprotease-2 (gelatinase-A)
50045151	1	ChEMBL_1456363 (CHEMBL3368372)	Agonist activity at human RXR-alpha expressed in HEK293 cells coexpressing with pCMX-beta-gal after 24 to 48 hrs by luciferase reporter gene assay
50045152	1	ChEMBL_1457282 (CHEMBL3370547)	Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 30 mins by fluorescence assay
50045153	1	ChEMBL_1457285 (CHEMBL3370550)	Binding affinity to human CGRP receptor
50045153	2	ChEMBL_1457284 (CHEMBL3370549)	Antagonist activity against human CGRP receptor
50045153	3	ChEMBL_1457286 (CHEMBL3370551)	Binding affinity to rat CGRP receptor
50045153	6	ChEMBL_1457295 (CHEMBL3370560)	Reversible saturable binding affinity to human CGRP receptor using [3H]-labeled compound
50045154	1	ChEMBL_1458227 (CHEMBL3368725)	Inhibition of 17beta-HSD2 (unknown origin) expressed in HEK293 cells lysate
50045154	2	ChEMBL_1458228 (CHEMBL3368726)	Inhibition of 17beta-HSD2 (unknown origin) expressed in intact HEK293 cells
50045154	3	ChEMBL_1458229 (CHEMBL3368727)	Inhibition of 17beta-HSD1 (unknown origin) expressed in HEK293 cells lysate
50045154	4	ChEMBL_1458230 (CHEMBL3368728)	Inhibition of 11beta-HSD1 (unknown origin) expressed in HEK293 cells lysate
50045154	5	ChEMBL_1458231 (CHEMBL3368729)	Inhibition of 17beta-HSD3 (unknown origin) expressed in intact HEK293 cells
50014819	2	ChEMBL_60693 (CHEMBL676503)	In vitro ability of compound to inhibit binding of [3H]spiperone to human Dopamine receptor D4
50014819	1	ChEMBL_61155 (CHEMBL671241)	In vitro ability to inhibit binding of [3H]spiperone to human recombinant Dopamine receptor D4.2 expressed on CHO cells
50045155	1	ChEMBL_1447652 (CHEMBL3374988)	Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells
50045155	2	ChEMBL_1448465 (CHEMBL3378085)	Inhibition of CYP1A2 (unknown origin)
50014828	1	ChEMBL_195086 (CHEMBL797540)	Inhibition of rhodesain from Trypanosoma brucei rhodesiense
50014828	2	ChEMBL_51851 (CHEMBL664074)	Inhibition of cruzain from Trypanosoma cruzi
50045156	1	ChEMBL_1448512 (CHEMBL3379264)	Inhibition of biotinylated VEGF-A165 from rat recombinant NRP-1 Fc domain
50045157	1	ChEMBL_1450204 (CHEMBL3375767)	Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method
50045157	2	ChEMBL_1450235 (CHEMBL3376388)	Inhibition of DAT (unknown origin)
50045157	3	ChEMBL_1450236 (CHEMBL3376389)	Inhibition of alpha4 nAChR (unknown origin)
50045157	4	ChEMBL_1449409 (CHEMBL3373238)	Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method
50014831	1	ChEMBL_147033 (CHEMBL753674)	Binding affinity determined by displacing [3H][Ile5,6]deltorphin II from opioid receptor delta 1 in rat brain membranes
50014831	5	ChEMBL_147231 (CHEMBL754919)	Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human Opioid receptor kappa 1 expressed in CHO cells
50014831	4	ChEMBL_145579 (CHEMBL749655)	Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells
50014831	6	ChEMBL_145819 (CHEMBL753530)	Binding affinity determined by displacing [3H]U69,593 from Opioid receptor kappa 1 in rat brain membranes
50014831	3	ChEMBL_148988 (CHEMBL754204)	Binding affinity determined by displacing [3H]DAMGO from Opioid receptor mu 1 in rat brain membranes
50014833	13	ChEMBL_154193 (CHEMBL760000)	In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)
50014833	1	ChEMBL_153708 (CHEMBL759334)	In vitro transcriptional activation by human PPAR alpha Gal4 chimera
50014833	5	ChEMBL_153534 (CHEMBL765403)	In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)
50014833	11	ChEMBL_153394 (CHEMBL763847)	In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation assay (TA)
50014833	2	ChEMBL_154206 (CHEMBL759451)	In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)
50014833	6	ChEMBL_153631 (CHEMBL762527)	In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)
50014833	9	ChEMBL_153487 (CHEMBL761652)	In vitro transcriptional activation by PPAR alpha
50014833	7	ChEMBL_153630 (CHEMBL762526)	In vitro transcriptional activation by human PPAR gamma Gal4 chimera
50014833	3	ChEMBL_153629 (CHEMBL762525)	In vitro transcriptional activation by PPAR gamma
50014833	14	ChEMBL_153234 (CHEMBL764467)	In vitro transcriptional activation by PPAR alpha
50045158	1	ChEMBL_1451023 (CHEMBL3366098)	Inhibition of Mycobacterium tuberculosis InhA using NADH and dodecyl coA substrate by LC-MS/MS method
50045159	1	ChEMBL_1451942 (CHEMBL3363386)	Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization
50014833	10	ChEMBL_154045 (CHEMBL760850)	In vitro binding affinity for human Peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)
50014833	8	ChEMBL_153632 (CHEMBL762528)	In vitro transcriptional activation by PPAR gamma
50014834	1	ChEMBL_86908 (CHEMBL698418)	In vitro inhibitory activity against histamine H3 receptor using [3H]histamine as radioligand from rat cerebral cortex synaptosomes
50014836	2	ChEMBL_72454 (CHEMBL686009)	Inhibitory activity for human glutathione S-transferase-pi isozyme was determined
50014836	1	ChEMBL_72453 (CHEMBL686008)	Inhibitory activity for human Glutathione S-transferase P was determined
50014839	2	ChEMBL_89199 (CHEMBL701150)	In vitro inhibition of human Inducible nitric oxide synthase.
50014839	3	ChEMBL_65303 (CHEMBL678077)	In vitro inhibition of human endothelial nitric oxide synthase.
50014839	1	ChEMBL_143364 (CHEMBL751656)	In vitro inhibition of human neuronal nitric oxide synthase.
50024351	2	ChEMBL_550270 (CHEMBL1007618)	Inhibition of human placental beta-glucocerebrosidase by spectrophotometry
50024351	4	ChEMBL_550271 (CHEMBL1007619)	Inhibition of bovine liver beta-galactosidase by spectrophotometry
50024351	3	ChEMBL_550274 (CHEMBL1007622)	Inhibition of rat epididymis beta-mannosidase by spectrophotometry
50024351	1	ChEMBL_550267 (CHEMBL1007615)	Inhibition of rat intestinal maltase by spectrophotometry
50024363	1	ChEMBL_550647 (CHEMBL1002742)	Inhibition of DNA polymerase beta lyase activity
50014841	1	ChEMBL_79561 (CHEMBL689508)	Concentration of the compounds required for inhibition of HEK293 cells (alpha1G T-type)
50045159	2	ChEMBL_1451966 (CHEMBL3363410)	Inhibition of CYP1A2 in pooled human liver microsomes in presence of NADPH
50045159	3	ChEMBL_1451965 (CHEMBL3363409)	Inhibition of CYP2C9 in pooled human liver microsomes in presence of NADPH
50045159	4	ChEMBL_1451950 (CHEMBL3363394)	Inhibition of CYP2D6 in pooled human liver microsomes in presence of NADPH
50045159	5	ChEMBL_1451944 (CHEMBL3363388)	Displacement of [3H]methoxyPEPy from rat mGlu5 expressed in HEK293A cells after 1 hr by scintillation counting method
50045159	6	ChEMBL_1451954 (CHEMBL3363398)	Negative allosteric modulator activity at human mGlu5 assessed as reduction in glutamate-induced calcium mobilization
50045159	7	ChEMBL_1451949 (CHEMBL3363393)	Inhibition of CYP3A4 in pooled human liver microsomes in presence of NADPH
50045160	1	ChEMBL_1451986 (CHEMBL3363688)	Binding affinity to human A3AR
50045160	2	ChEMBL_1451988 (CHEMBL3363690)	Displacement of [3H]N6-R-phenylisopropyladenosine from human A1AR expressed in CHO cells after 60 mins by scintillation counting analysis
50045160	3	ChEMBL_1451990 (CHEMBL3363692)	Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human A2aAR expressed in HEK293 cells after 60 mins by scintillation counting analysis
50045160	4	ChEMBL_1451991 (CHEMBL3363693)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in CHO cells after 60 mins by scintillation counting analysis
50045161	1	ChEMBL_1451997 (CHEMBL3363699)	Competitive inhibition of recombinant human KDM4B (1 to 348 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by double-reciprocal plot method
50045161	2	ChEMBL_1451998 (CHEMBL3363700)	Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 peptide as substrate after 30 mins by double-reciprocal plot method
50045161	3	ChEMBL_1451999 (CHEMBL3363701)	Competitive inhibition of recombinant human KDM4B (1 to 348 aa) expressed in Escherichia coli using H3K9me3 (3 to 17 aa) peptide as substrate after 30 mins by double-reciprocal plot method
50045161	4	ChEMBL_1452000 (CHEMBL3363702)	Competitive inhibition of recombinant human KDM4A (1 to 347 aa) expressed in Escherichia coli using H3K9me3 (3 to 17 aa) peptide as substrate after 30 mins by double-reciprocal plot method
50045162	1	ChEMBL_1452868 (CHEMBL3365885)	Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay
50045162	2	ChEMBL_1452866 (CHEMBL3365883)	Inhibition of human recombinant HDAC1 using histone H3 substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimetric assay
50045162	3	ChEMBL_1452867 (CHEMBL3365884)	Inhibition of human recombinant HDAC4 using non-histone trifluoroacetyl lysine substrate pre-incubated at room temperature for 15 mins before substrate addition by fluorimetric assay
50045163	1	ChEMBL_1452898 (CHEMBL3366214)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50045163	2	ChEMBL_1452897 (CHEMBL3366213)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells
50014848	1	ChEBML_39628	Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand
50014849	1	ChEBML_48492	Inhibitory concentration against recombinant human cathepsin L was determined in a fluorescence assay using 5 uM Cbz-Phe-Arg-AMC as substrate
50014849	3	ChEBML_45556	Inhibitory concentration against recombinant human cathepsin K determined in a fluorescence assay using 10 uM Cbz-Phe-Arg-AMC as substrate
50014849	2	ChEBML_47415	Inhibitory concentration against recombinant human cathepsin B was determined in a fluorescence assay using 10 uM Cbz-Phe-Arg-AMC as substrate
50014851	6	ChEMBL_68410 (CHEMBL678899)	In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]Ro-151788
50014851	7	ChEMBL_219124 (CHEMBL821804)	In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]Ro-151788
50014851	5	ChEMBL_68411 (CHEMBL680327)	In vitro displacement of [3H]Ro-151788 from human GABA-A receptor alpha-3-beta-3-gamma-2 subunits expressed in L(tk-) cells
50014851	8	ChEMBL_69650 (CHEMBL681843)	In vitro displacement of [3H]Ro-151788 from human GABA-A receptor alpha-2-beta-3-gamma-2 subunits expressed in L(tk-) cells
50014856	3	ChEBML_100176	Agonistic activity against lysophosphatidic acid receptor 2 using [35S]GTP-gamma-S as radioligand tested in vitro
50014856	2	ChEBML_100173	Agonistic activity against lysophosphatidic acid receptor 1 using [35S]GTP-gamma-S as radioligand tested in vitro
50014856	4	ChEBML_100180	Agonistic activity against lysophosphatidic acid receptor 3 using [35S]GTP-gamma-S as radioligand tested in vitro
50014856	1	ChEMBL_100172 (CHEMBL707057)	Agonistic activity against lysophosphatidic acid receptor 1 receptor using [35S]GTP-gamma-S as radioligand tested in vitro
50014857	2	ChEMBL_208052 (CHEMBL812494)	Inhibitory activity against tissue type plasminogen activator
50014857	1	ChEBML_208056	In vitro concentration required for inhibition of tissue type plasminogen activator by plasminogen activator inhibitor-1 at concentration 25 um
50014858	5	ChEBML_142807	Ability to inhibit [3H]nisoxetine binding to cloned human norepinephrine (NE) transporter
50014858	4	ChEBML_61522	Ability to inhibit [3H]mazindol binding to cloned human dopamine (DA) transporter; Average of two experiments
50014858	2	ChEMBL_201362 (CHEMBL804697)	Ability to inhibit [3H]paroxetine binding to cloned human serotonin (5-HT) transporter; Average of two experiments
50014858	1	ChEMBL_61520 (CHEMBL674998)	Ability to inhibit [3H]WIN-35428 binding to cloned human dopamine (DA) transporter
50045163	3	ChEMBL_1452895 (CHEMBL3366211)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50045163	4	ChEMBL_1452896 (CHEMBL3366212)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50014862	5	ChEBML_201315	Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	10	ChEBML_201333	Binding affinity towards human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	9	ChEBML_201449	Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	8	ChEBML_201324	Binding affinity towards human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	6	ChEBML_201450	Binding affinity towards human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	3	ChEMBL_201333 (CHEMBL806182)	Binding affinity towards human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014862	1	ChEMBL_201316 (CHEMBL806166)	Binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50014863	3	ChEBML_153472	In vitro transcription activation on human peroxisome proliferator activated receptor-alpha (PPAR alpha)
50014863	1	ChEBML_153616	In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma)
50014863	2	ChEBML_153488	In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)
50014867	3	ChEMBL_39051 (CHEMBL652052)	Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells
50045164	1	ChEMBL_1453714 (CHEMBL3364116)	Inhibition of recombinant human NTPDase2 transfected in COS-7 cells using ATP substrate
50045165	1	ChEMBL_1453721 (CHEMBL3364123)	Displacement of [3H]CP55,940 from human CB2 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting
50045165	2	ChEMBL_1453720 (CHEMBL3364122)	Displacement of [3H]CP55,940 from human CB1 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting
50045165	3	ChEMBL_1453719 (CHEMBL3364121)	Inhibition of mouse brain MAGL-mediated [glycerol-1,2,3-3H]-2-OG hydrolysis preincubated for 15 mins measured 15 mins post 2-OG addition by liquid scintillation counting
50045165	4	ChEMBL_1453717 (CHEMBL3364119)	Inhibition of FAAH-mediated [ethanol-amine-1-3H]AEA hydrolysis in human U937 cells preincubated for 15 mins measured 15 mins post AEA addition by liquid scintillation counting
50014872	1	ChEBML_35860	In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobacterium tuberculosis
50045166	1	ChEMBL_1453723 (CHEMBL3364438)	Inhibition of papaya papain using Z-Phe-Arg-pNA substrate by spectrophotometry
50014875	2	ChEMBL_51912 (CHEMBL666018)	Inhibition of human liver microsome cytochrome P450 3A4
50014875	1	ChEBML_51912	Inhibition of human liver microsome cytochrome P450 3A4
50045167	1	ChEMBL_1453728 (CHEMBL3364443)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate by spectrophotometry
50014877	1	ChEBML_206339	Inhibitory activity against TGF-beta type I receptor
50014877	2	ChEBML_124477	Inhibitory activity against Mitogen-activated protein kinase p38
50014878	1	ChEBML_39655	Concentration required to inhibit [125I]-MIP-1 alpha binding to C-C chemokine receptor type 5
50045167	2	ChEMBL_1453732 (CHEMBL3364447)	Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometry relative to control
50045168	1	ChEMBL_1453753 (CHEMBL3364468)	Inhibition of Wistar rat intestinal maltase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry
50014879	5	ChEBML_90282	Inhibition of human insulin-like growth factor I receptor
50014879	4	ChEBML_105550	Inhibition of human Met proto-oncogene tyrosine kinase
50045168	2	ChEMBL_1454615 (CHEMBL3366727)	Inhibition of Wistar rat intestinal isomaltase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry
50014879	14	ChEBML_226177	Inhibition of human c-Abl
50014879	19	ChEBML_66577	Inhibition of human Epidermal growth factor receptor, HER-1
50045168	3	ChEMBL_1454616 (CHEMBL3366728)	Inhibition of Wistar rat intestinal sucrase assessed as inhibition of D-glucose release after 30 mins by spectrophotometry
50014879	16	ChEMBL_66585 (CHEMBL680016)	Inhibition of Epidermal growth factor receptor, HER-1
50045169	1	ChEMBL_1454622 (CHEMBL3361811)	Antagonist activity against human galectin 1 by fluorescence polarization assay
50045169	2	ChEMBL_1454623 (CHEMBL3361812)	Antagonist activity against human galectin 3 by fluorescence polarization assay
50045169	3	ChEMBL_1454624 (CHEMBL3361813)	Antagonist activity against human galectin 7 by fluorescence polarization assay
50014881	2	ChEBML_27588	Binding affinity towards human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX
50014881	1	ChEBML_31081	Binding affinity of [3H]-MRE 2029-F20 towards human adenosine A2b receptor expressed in CHO cells
50014884	1	ChEMBL_159720 (CHEMBL764196)	Dissociation constant for progesterone receptor
50045169	4	ChEMBL_1454625 (CHEMBL3361814)	Antagonist activity against human galectin 8 N-terminal domain by fluorescence polarization assay
50045169	5	ChEMBL_1454626 (CHEMBL3361815)	Antagonist activity against human galectin 9 N-terminal domain by fluorescence polarization assay
50045170	1	ChEMBL_1454649 (CHEMBL3361838)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50045170	2	ChEMBL_1454652 (CHEMBL3361841)	Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50045170	3	ChEMBL_1454662 (CHEMBL3362216)	Agonist activity at mu opioid receptor in guinea pig ileum
50045170	4	ChEMBL_1454642 (CHEMBL3361831)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50045170	5	ChEMBL_1454643 (CHEMBL3361832)	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50014887	1	ChEMBL_87855 (CHEMBL701994)	Inhibitory activity against human Histone deacetylase 1
50045170	6	ChEMBL_1454644 (CHEMBL3361833)	Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50045170	7	ChEMBL_1454646 (CHEMBL3361835)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50045170	8	ChEMBL_1454645 (CHEMBL3361834)	Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50045171	1	ChEMBL_1455466 (CHEMBL3363898)	Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay
50014891	1	ChEMBL_123279 (CHEMBL731800)	Inhibition of Monoamine oxidase A from rat liver mitochondria
50014891	2	ChEMBL_124228 (CHEMBL733982)	Inhibition of Monoamine oxidase B from rat liver mitochondria
50045171	2	ChEMBL_1455467 (CHEMBL3363899)	Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay
50045171	3	ChEMBL_1455468 (CHEMBL3363900)	Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay
50045171	4	ChEMBL_1455470 (CHEMBL3363902)	Inhibition of recombinant human CYP1A2 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
50045171	5	ChEMBL_1455471 (CHEMBL3363903)	Inhibition of recombinant human CYP2D6 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
50045171	6	ChEMBL_1455472 (CHEMBL3363904)	Inhibition of recombinant human CYP2C9 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
50045171	7	ChEMBL_1455473 (CHEMBL3363905)	Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
50045171	8	ChEMBL_1455474 (CHEMBL3363906)	Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assay
50045171	9	ChEMBL_1455475 (CHEMBL3363907)	Inhibition of human ERG expressed in CHO-K1 cells by patch-clamp electrophysiology method
50014898	1	ChEBML_211872	Inhibition of the polymerization of tubulin
50014899	1	ChEBML_51104	Binding affinity to the cloned human corticotropin releasing factor receptor 1
50014907	3	ChEBML_48454	In vitro inhibition of human coagulation factor VIIa
50014907	2	ChEBML_209099	In vitro inhibition of thrombin
50014907	1	ChEBML_49141	In vitro inhibition of coagulation factor X
50014908	1	ChEBML_106507	In vitro binding affinity towards melanocortin 4 receptor.
50045172	1	ChEMBL_1456413 (CHEMBL3368862)	Antagonist activity against human recombinant CXCR2 receptor expressed in CHO cell membranes by SPA based [35S]GTPgammaS binding assay
50045172	2	ChEMBL_1456414 (CHEMBL3368863)	Displacement of [125I]-GRO-alpha from human recombinant CXCR2 receptor expressed in CHO cell membranes
50045173	1	ChEMBL_1458264 (CHEMBL3368979)	Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay
50045173	2	ChEMBL_1458263 (CHEMBL3368978)	Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay
50045173	3	ChEMBL_1458262 (CHEMBL3368977)	Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay
50045174	1	ChEMBL_1459132 (CHEMBL3370677)	Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay
50014913	2	ChEBML_67683	Binding affinity for human estrogen receptor beta
50014913	1	ChEBML_67367	Binding affinity for human estrogen receptor alpha
50014914	1	ChEBML_67684	Binding affinity for human estrogen receptor beta
50014914	2	ChEBML_67368	Binding affinity for human estrogen receptor alpha
50045174	2	ChEMBL_1459142 (CHEMBL3370903)	Binding affinity to androgen receptor (unknown origin)
50045174	3	ChEMBL_1459143 (CHEMBL3370904)	Binding affinity to estrogen receptor-alpha (unknown origin)
50045174	4	ChEMBL_1459144 (CHEMBL3370905)	Agonist activity at mineralocorticoid receptor in human A549 cells
50045174	5	ChEMBL_1459146 (CHEMBL3370907)	Inhibition of CYP3A4 (unknown origin)
50045174	6	ChEMBL_1459147 (CHEMBL3370908)	Inhibition of CYP2C8 (unknown origin)
50045174	7	ChEMBL_1459148 (CHEMBL3370909)	Inhibition of CYP2C9 (unknown origin)
50045174	8	ChEMBL_1459149 (CHEMBL3370910)	Inhibition of CYP2C19 (unknown origin)
50045174	9	ChEMBL_1459133 (CHEMBL3370894)	Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay
50045174	10	ChEMBL_1459134 (CHEMBL3370895)	Agonist activity at glucocorticoid receptor in human A549 cells assessed as AP-1 transrepression by luciferase reporter gene assay
50045174	11	ChEMBL_1459136 (CHEMBL3370897)	Agonist activity at glucocorticoid receptor in human A549 cells assessed as E-selectin transrepression by luciferase reporter gene assay
50014916	2	ChEBML_48487	Binding affinity of the compoumd to human coagulation factor Xa
50014916	4	ChEBML_207951	Binding affinity against human thrombin.
50014916	5	ChEMBL_212689 (CHEMBL815474)	Binding affinity against human trypsin
50014916	1	ChEBML_212692	Binding affinity of the compoumd against human trypsin was determined
50014918	4	ChEBML_31415	Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells
50014918	1	ChEBML_30296	Displacement of specific [3H]DPCPX binding at human adenosine A2B receptor expressed in HEK293 cells.
50014918	3	ChEBML_27433	Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells.
50014918	2	ChEBML_31209	Displacement of specific [3H]-CGS- 21680 binding at human adenosine A2A receptor expressed in HEK293 cells
50014919	2	ChEMBL_143095 (CHEMBL749345)	Binding affinities for the alpha 7 nicotinic acetylcholine receptor was determined in PC12 cells
50014923	4	ChEBML_104948	Binding affinity against human Melatonin receptor type 1A by using 2-[125I]iodomelatonin as radioligand
50014923	1	ChEBML_105276	Binding affinity against human Melatonin receptor type 1B by using 2-[125I]iodomelatonin as radioligand
50014923	3	ChEBML_104938	Agonist activity for its ability to inhibit forskolin-stimulated cAMP accumulation against MT receptor
50014926	3	ChEMBL_43695 (CHEMBL653672)	Inhibitory activity against on calpain 1 in C6 glial cells
50014926	2	ChEBML_43656	Inhibitory activity against on human calpain 1
50045174	12	ChEMBL_1459138 (CHEMBL3370899)	Agonist activity at glucocorticoid receptor in human HeLa cells assessed as NP-1 transactivation by luciferase reporter gene assay
50045174	13	ChEMBL_1459140 (CHEMBL3370901)	Agonist activity at glucocorticoid receptor in human whole blood assessed as inhibition of LPS-induced TNF production incubated for 20 hrs prior to LPS challenge measured after 5 hrs by ELISA
50045175	1	ChEMBL_1459950 (CHEMBL3367785)	Displacement of [3H]NMS from human muscarinic M4 receptor transfected in CHO cells after 120 mins by scintillation counting analysis
50045175	2	ChEMBL_1459951 (CHEMBL3367786)	Displacement of [3H]NMS from human muscarinic M5 receptor transfected in CHO cells after 120 mins by scintillation counting analysis
50045175	3	ChEMBL_1459949 (CHEMBL3367784)	Displacement of [3H]NMS from human muscarinic M3 receptor transfected in CHO cells after 120 mins by scintillation counting analysis
50045175	4	ChEMBL_1459947 (CHEMBL3367782)	Displacement of [3H]NMS from human muscarinic M1 receptor transfected in CHO cells after 120 mins by scintillation counting analysis
50014931	2	ChEMBL_71435 (CHEMBL685307)	Binding affinity towards human gonadotropin releasing hormone receptor using des-Gly10[125I]Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]GnRH as radioligand expressed in HEK293 cells
50014931	3	ChEMBL_71437 (CHEMBL685309)	Tested for binding affinity towards rat gonadotropin releasing hormone receptor
50014931	1	ChEMBL_71434 (CHEMBL685306)	Tested for binding affinity towards monkey gonadotropin releasing hormone receptor
50014933	3	ChEMBL_155618 (CHEMBL766353)	Inhibition of human plasminogen activator inhibitor-1
50014933	2	ChEMBL_155742 (CHEMBL760892)	Binding affinity to towards NBD-labeled S119C Plasminogen activator inhibitor-1 mutant in rat
50014933	1	ChEMBL_155741 (CHEMBL760891)	Binding affinity of compound towards latent Plasminogen activator inhibitor-1 expressed as apparent Kd
50014934	2	ChEMBL_221507 (CHEMBL841490)	Dissociation constant for p56 Lck tyrosine kinase SH2 domain binding to C-terminal ITAM2 phosphopeptide
50014934	1	ChEMBL_221509 (CHEMBL841492)	Dissociation constant for p56 Lck tyrosine kinase SH2 domain binding to C-terminal ITAM2 phosphopeptide
50045175	5	ChEMBL_1459948 (CHEMBL3367783)	Displacement of [3H]NMS from human muscarinic M2 receptor transfected in CHO cells after 120 mins by scintillation counting analysis
50045176	1	ChEMBL_1446734 (CHEMBL3381049)	Inhibition of Hsp90 (unknown origin) by FP displacement assay
50014938	1	ChEMBL_205065 (CHEMBL810259)	Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells using [3H]testosterone.
50014938	2	ChEMBL_225213 (CHEMBL841571)	Inhibitory concentration against human recombinant steroid 5-alpha-reductase type 2 in stably transfected chinese hamster ovary 1827 cells using [3H]testosterone
50014940	2	ChEMBL_52092 (CHEMBL663986)	Inhibition of wild type cytochrome P450cam expressed in Escherichia coli
50014940	1	ChEMBL_96558 (CHEMBL709291)	Inhibition of L244A mutant cytochrome P450cam expressed in Escherichia coli
50045176	2	ChEMBL_1446742 (CHEMBL3381057)	Inhibition of ACK1 (unknown origin)
50045176	3	ChEMBL_1446743 (CHEMBL3381058)	Inhibition of AKT1 (unknown origin)
50045176	4	ChEMBL_1446744 (CHEMBL3381059)	Inhibition of ALK (unknown origin)
50045176	5	ChEMBL_1446745 (CHEMBL3381060)	Inhibition of Aurora 1 (unknown origin)
50045176	6	ChEMBL_1446746 (CHEMBL3381061)	Inhibition of Aurora 2 (unknown origin)
50045176	7	ChEMBL_1446765 (CHEMBL3381080)	Inhibition of JAK1 (unknown origin)
50045176	8	ChEMBL_1446766 (CHEMBL3381081)	Inhibition of JAK2 (unknown origin)
50045176	9	ChEMBL_1446767 (CHEMBL3381082)	Inhibition of JAK3 (unknown origin)
50014942	1	ChEMBL_146918 (CHEMBL757506)	Binding affinity against rat brain opioid receptor delta 1 using [3H]DPDPE radioligand
50014942	2	ChEMBL_148857 (CHEMBL756653)	Binding affinity against rat brain Opioid receptor mu 1 using [3H]DAMGO radioligand
50045176	10	ChEMBL_1446768 (CHEMBL3381083)	Inhibition of KIT (unknown origin)
50014946	7	ChEMBL_70250 (CHEMBL682709)	Binding affinity towards human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2 using [3H]Ro-151788 expressed in L(tk-) cells
50014946	6	ChEMBL_70088 (CHEMBL677034)	Binding affinity towards human alpha-1-beta-3-gamma-2 GABA-A receptor using [3H]Ro-151788 expressed in L(tk-) cells
50014946	5	ChEMBL_70550 (CHEMBL680669)	Binding affinity towards human alpha-5-beta-3-gamma-2 GABA-A receptor using [3H]Ro-151788 expressed in L(tk-) cells
50014946	3	ChEMBL_70405 (CHEMBL680432)	Binding affinity towards human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2 using [3H]Ro-151788 expressed in L(tk-) cells
50014946	2	ChEMBL_70543 (CHEMBL680324)	Effective concentration against human Alpha-5-beta-3-gamma-2 GABA-A receptor was determined
50014946	8	ChEMBL_70712 (CHEMBL685348)	Inhibition of [3H]Ro-151788 binding to human alpha-6-beta-3-gamma-2 GABA-A receptor expressed in L(tk-) cells
50014946	1	ChEMBL_69906 (CHEMBL681632)	Inhibition of [3H]Ro-151788 binding to human alpha-5-beta-3-gamma-2 GABA-A receptor expressed in L(tk-) cells
50014946	4	ChEMBL_70541 (CHEMBL682903)	Inhibition of [3H]-Ro-15-1788 binding to human alpha-4-beta-3-gamma-2 GABA-A receptor expressed in L(tk-) cells
50014949	1	ChEMBL_41200 (CHEMBL653466)	In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases
50014949	3	ChEMBL_41201 (CHEMBL876650)	In vitro inhibitory activity against Class A (TEM-1) beta-Lactamases
50014949	4	ChEMBL_41203 (CHEMBL652839)	In vitro inhibitory activity against Class C (Amp-C) beta-Lactamases
50014949	2	ChEMBL_41202 (CHEMBL652838)	In vitro inhibitory activity against Class B (CCRA) beta-Lactamases
50014950	3	ChEMBL_54085 (CHEMBL669982)	Inhibitory concentration against Dihydrofolate reductase from Mycobacterium avium (Mycobacterium avium)
50014950	1	ChEMBL_54216 (CHEMBL668095)	Inhibitory concentration against Dihydrofolate reductase from rat liver
50014950	4	ChEMBL_54213 (CHEMBL668092)	Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (Toxoplasma gondii)
50014950	2	ChEMBL_54086 (CHEMBL669983)	Inhibition of Dihydrofolate reductase from Pneumocystis carinii (Pneumocystis carinii)
50024370	1	ChEMBL_550598 (CHEMBL999199)	Inhibition of DNA polymerase beta lyase activity
50024382	1	ChEMBL_550951 (CHEMBL1000791)	Displacement of [125I]gp-120 from human CCR5 receptor expressed in CHO cells
50024382	2	ChEMBL_550952 (CHEMBL1000792)	Inhibition of MIP1alpha binding to human CCR5 receptor
50014954	1	ChEMBL_304572 (CHEMBL831070)	Binding potency for human ER beta
50014954	2	ChEMBL_304574 (CHEMBL831071)	Binding potency for human ER alpha
50014955	1	ChEMBL_304575 (CHEMBL831072)	Binding potency for human ER alpha
50014955	2	ChEMBL_304573 (CHEMBL877124)	Binding potency for human ER beta
50045176	11	ChEMBL_1446769 (CHEMBL3381084)	Inhibition of LCK (unknown origin)
50014957	2	ChEMBL_305969 (CHEMBL832955)	Antagonistic activity against BRN2/DNA interaction by electrophoretic mobility shift assay
50045176	12	ChEMBL_1446770 (CHEMBL3381085)	Inhibition of LYN (unknown origin)
50014957	3	ChEMBL_305968 (CHEMBL832954)	Antagonistic activity against BRN1/DNA interaction by electrophoretic mobility shift assay
50045176	13	ChEMBL_1446771 (CHEMBL3381086)	Inhibition of MAPKAPK2 (unknown origin)
50045176	14	ChEMBL_1446772 (CHEMBL3381087)	Inhibition of MELK (unknown origin)
50045176	15	ChEMBL_1446773 (CHEMBL3381088)	Inhibition of c-MET (unknown origin)
50045176	16	ChEMBL_1446774 (CHEMBL3381089)	Inhibition of MNK2 (unknown origin)
50045176	17	ChEMBL_1446775 (CHEMBL3381090)	Inhibition of MPS1 (unknown origin)
50014964	2	ChEMBL_306373 (CHEMBL828344)	Inhibitory activity against 17 beta-hydroxysteroid dehydrogenase catalysed oxidation reaction
50014964	1	ChEMBL_306374 (CHEMBL828716)	Inhibitory activity against 17 beta-hydroxysteroid dehydrogenase catalysed reduction reaction
50014965	1	ChEMBL_305245 (CHEMBL833503)	Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase
50045176	18	ChEMBL_1446776 (CHEMBL3381091)	Inhibition of MST4 (unknown origin)
50045176	19	ChEMBL_1446777 (CHEMBL3381092)	Inhibition of NEK6 (unknown origin)
50014966	1	ChEMBL_302831 (CHEMBL838621)	Binding affinity for recombinant human CRF1 receptor
50014966	2	ChEMBL_305671 (CHEMBL827940)	Inhibition of CRF-stimulated cAMP production in cells expressing CRF1 receptor
50014968	2	ChEMBL_306468 (CHEMBL828708)	Inhibition of NMDA-evoked increased intracellular [Ca2+] in cells expressing NR1/NR2B receptor
50045176	20	ChEMBL_1446778 (CHEMBL3381093)	Inhibition of NIM1 (unknown origin)
50045176	21	ChEMBL_1446779 (CHEMBL3381094)	Inhibition of P38alpha (unknown origin)
50045176	22	ChEMBL_1446780 (CHEMBL3381095)	Inhibition of PAK4 (unknown origin)
50045176	23	ChEMBL_1446781 (CHEMBL3381096)	Inhibition of PDGFR (unknown origin)
50045176	24	ChEMBL_1446782 (CHEMBL3381097)	Inhibition of PDK1 (unknown origin)
50045176	25	ChEMBL_1446783 (CHEMBL3381098)	Inhibition of PERK (unknown origin)
50014970	6	ChEMBL_303124 (CHEMBL829633)	Binding affinity towards 5-HT1A receptor from porcine cortical membranes using [3H]8-OH-DPAT
50014970	4	ChEMBL_303029 (CHEMBL830416)	Binding affinity towards D1 receptor from porcine striatal membranes using [3H]-SCH- 23390
50014970	8	ChEMBL_302975 (CHEMBL827954)	Binding affinity towards human D3 receptor using [3H]spiperone expressed in CHO cells
50014970	3	ChEMBL_303088 (CHEMBL828760)	Binding affinity towards human D2 short receptor using [3H]spiperone expressed in CHO cells
50014970	1	ChEMBL_303008 (CHEMBL830247)	Binding affinity towards human D4.4 receptor using [3H]spiperone expressed in CHO cells
50045176	26	ChEMBL_1446784 (CHEMBL3381099)	Inhibition of PKAalpha (unknown origin)
50014970	2	ChEMBL_303057 (CHEMBL828883)	Binding affinity towards human D2 long receptor using [3H]spiperone expressed in CHO cells
50045176	27	ChEMBL_1446785 (CHEMBL3381100)	Inhibition of PKCbeta (unknown origin)
50014971	1	ChEMBL_302559 (CHEMBL839522)	In vitro inhibitory activity against cloned human M1 muscarinic receptor
50014971	2	ChEMBL_302560 (CHEMBL875217)	In vitro inhibitory activity against cloned human M2 muscarinic receptor
50014972	1	ChEMBL_304888 (CHEMBL877327)	In vitro inhibition of Candida albicans protein mannosyl transferase 1
50014973	1	ChEMBL_302784 (CHEMBL839469)	Apparent inhibition constant against Escherichia coli AmpC beta-lactamase
50014974	1	ChEMBL_306289 (CHEMBL828431)	In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist
50014974	2	ChEMBL_303098 (CHEMBL876376)	Displacement by compound of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes
50014976	1	ChEMBL_305573 (CHEMBL827166)	Inhibitory activity against recombinant human I-kappa-B-kinase beta
50014976	2	ChEMBL_305573 (CHEMBL827166)	Inhibitory activity against recombinant human I-kappa-B-kinase beta
50045176	28	ChEMBL_1446786 (CHEMBL3381101)	Inhibition of PLK1 (unknown origin)
50014977	5	ChEMBL_304647 (CHEMBL828530)	Inhibition of Syk protein tyrosine kinase
50014977	2	ChEMBL_306083 (CHEMBL833584)	Inhibition of recombinant human I-kappa-B-kinase beta (IKK beta)
50014977	1	ChEMBL_304578 (CHEMBL828470)	Inhibition of I-kappa-B-kinase 3
50014979	1	ChEMBL_305548 (CHEMBL828567)	Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter
50045176	29	ChEMBL_1446728 (CHEMBL3381043)	Inhibition of Hsp90 (unknown origin) by NMR FAXS screening method
50045176	30	ChEMBL_1446787 (CHEMBL3381102)	Inhibition of RET (unknown origin)
50045176	31	ChEMBL_1446788 (CHEMBL3371262)	Inhibition of ROS1 (unknown origin)
50015107	6	ChEMBL_306607 (CHEMBL829907)	Inhibition of [3H]FPP incorporation into biotin-linked K-ras decapeptide (CVLL) by bovine geranylgeranyltransferase
50016217	6	ChEMBL_310221 (CHEMBL833824)	Effective concentration required for prostanoid EP4 receptor activity was determined
50016237	7	ChEMBL_305365 (CHEMBL832881)	Inhibitory concentration against human C-C chemokine receptor type 4
50016304	8	ChEMBL_305141 (CHEMBL832436)	Inhibition concentration against beta tryptase was determined
50016304	6	ChEMBL_302629 (CHEMBL839921)	In vitro inhibitory activity against tryptase
50015141	14	ChEMBL_305457 (CHEMBL830954)	Inhibition of Alpha-2 adrenergic receptor
50015141	13	ChEMBL_305456 (CHEMBL830953)	Inhibition of Alpha-1 adrenergic receptor
50015142	19	ChEMBL_305229 (CHEMBL831648)	Inhibition against rat hydroxytryptamine 3 receptor
50015142	22	ChEMBL_305866 (CHEMBL831910)	Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes
50015142	21	ChEMBL_305036 (CHEMBL831675)	Inhibition of alpha-2-adrenergic receptor
50015142	20	ChEMBL_305035 (CHEMBL831674)	Inhibition of alpha-1-adrenergic receptor
50015659	5	ChEMBL_311968 (CHEMBL834385)	Inhibitory concentration against Cathepsin B activity
50016686	6	ChEMBL_306114 (CHEMBL830065)	In vitro binding affinity for PPAR-gamma
50016686	19	ChEMBL_310810 (CHEMBL837872)	Effective concentration against hamster PPAR-alpha in Gal4 transactivation assay
50016686	9	ChEMBL_310800 (CHEMBL824851)	Effective concentration against human PPAR-alpha in Gal4 transactivation assay
50016686	20	ChEMBL_310805 (CHEMBL824856)	Effective concentration against canine PPAR-alpha in Gal4 transactivation assay
50016686	10	ChEMBL_310801 (CHEMBL824852)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay
50016686	5	ChEMBL_310852 (CHEMBL833887)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 30% response at 3 uM
50016686	15	ChEMBL_310845 (CHEMBL833880)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 4% response at 3 uM 
50016686	16	ChEMBL_310844 (CHEMBL833879)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 2% response at 3 uM 
50016686	3	ChEMBL_310850 (CHEMBL833885)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 25% response at 3 uM
50017692	7	ChEMBL_344944 (CHEMBL870723)	Agonist activity at human NPY4 receptor in HEK293 cells by inhibition of forskolin-stimulated cAMP synthesis
50017692	6	ChEMBL_344945 (CHEMBL868919)	Agonist activity at human NPY1 receptor in CHO cells by inhibition of forskolin-stimulated cAMP synthesis
50017692	1	ChEMBL_344947 (CHEMBL868921)	Agonist activity at human NPY2 receptor in CHO cells by inhibition of forskolin-stimulated cAMP synthesis
50017692	8	ChEMBL_344939 (CHEMBL870718)	Displacement of [125I]NPY from human NPY2 receptor expressed in CHO cells
50017692	9	ChEMBL_344938 (CHEMBL870717)	Displacement of [125I]NPY from human NPY1 receptor expressed in CHO cells
50014984	1	ChEMBL_304965 (CHEMBL827843)	Inhibitory concentration against Lysophosphatidic acid 1 (LPA1) receptor
50014984	2	ChEMBL_304755 (CHEMBL829353)	Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptor
50014984	3	ChEMBL_302402 (CHEMBL829647)	Binding affinity towards Lysophosphatidic acid 1 (LPA1) receptor
50014985	1	ChEMBL_302271 (CHEMBL830291)	Tested for inhibition of HIV protease
50014987	3	ChEBML_305510	Inhibitory activity against Opioid receptor like 1 expressed in HEK293 cells
50045176	32	ChEMBL_1446790 (CHEMBL3371264)	Inhibition of Syk (unknown origin)
50014990	2	ChEMBL_304724 (CHEMBL829325)	Inhibitory activity against human 5-HT2A receptor
50014990	5	ChEMBL_305305 (CHEMBL832852)	Tested for MCH-1 induced [Ca2+] release from CHO cells transfected with human MCH-1R
50045176	33	ChEMBL_1446791 (CHEMBL3371265)	Inhibition of TRKA (unknown origin)
50014990	1	ChEMBL_304725 (CHEMBL829326)	Inhibitory activity against human 5-HT2B receptor
50045176	34	ChEMBL_1446792 (CHEMBL3371266)	Inhibition of TLK2 (unknown origin)
50014990	3	ChEMBL_304726 (CHEMBL829327)	Inhibitory activity against human 5-HT2C receptor
50045176	35	ChEMBL_1447670 (CHEMBL3375006)	Inhibition of TYK2 (unknown origin)
50045176	36	ChEMBL_1447671 (CHEMBL3375007)	Inhibition of VEGFR2 (unknown origin)
50045176	37	ChEMBL_1447672 (CHEMBL3375008)	Inhibition of VGFR3 (unknown origin)
50045176	38	ChEMBL_1447673 (CHEMBL3375009)	Inhibition of ZAP70 (unknown origin)
50045176	39	ChEMBL_1447674 (CHEMBL3375010)	Inhibition of HSC70 (unknown origin)
50045176	40	ChEMBL_1446747 (CHEMBL3381062)	Inhibition of BUB1 (unknown origin)
50014998	5	ChEMBL_201813 (CHEMBL805321)	Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]paroxetine
50014998	7	ChEMBL_201349 (CHEMBL806211)	Inhibition concentration against [3H]5-HT uptake by human serotonin transporter in JAR cells
50014998	8	ChEMBL_877 (CHEMBL615932)	Inhibition concentration against binding of radioligand [35S]GTP-gamma-S in CHO cells expressing 5-hydroxytryptamine 1A receptor
50014998	11	ChEMBL_614 (CHEMBL615164)	Effective concentration against human 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells
50014998	9	ChEMBL_611 (CHEMBL615161)	Effective concentration against binding of radioligand [35S]GTP-gamma-S in CHO cells expressing human 5-hydroxytryptamine 1A receptor
50014998	12	ChEMBL_904 (CHEMBL615753)	Binding affinity against human 5-hydroxytryptamine 1A receptor in CHO cells labeled with [3H]8-OH-DPAT radioligand
50045176	41	ChEMBL_1446748 (CHEMBL3381063)	Inhibition of BRK (unknown origin)
50045176	42	ChEMBL_1446751 (CHEMBL3381066)	Inhibition of CHK1 (unknown origin)
50014998	1	ChEMBL_686 (CHEMBL884528)	Binding affinity against 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells
50014998	10	ChEMBL_878 (CHEMBL615933)	Inhibition concentration against binding of radioligand [35S]GTP-gamma-S in CHO cells expressing 5-hydroxytryptamine 1A receptor
50045176	43	ChEMBL_1446753 (CHEMBL3381068)	Inhibition of EEF2K (unknown origin)
50014998	2	ChEMBL_689 (CHEMBL616272)	Effective concentration against binding of radioligand [35S]GTP-gamma-S in CHO cells expressing 5-hydroxytryptamine 1A receptor
50014998	6	ChEMBL_610 (CHEMBL615160)	Effective concentration against binding of radioligand [35S]GTP-gamma-S in CHO cells expressing human 5-hydroxytryptamine 1A receptor
50045176	44	ChEMBL_1446755 (CHEMBL3381070)	Inhibition of ERK2 (unknown origin)
50014998	13	ChEMBL_876 (CHEMBL615931)	Inhibition concentration against 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells
50014998	3	ChEMBL_693 (CHEMBL616276)	Inhibition concentration against 5-hydroxytryptamine 1A receptor using cAMP as radioligand in CHO cells
50045176	45	ChEMBL_1446756 (CHEMBL3381071)	Inhibition of EphA2 (unknown origin)
50045176	46	ChEMBL_1446757 (CHEMBL3381072)	Inhibition of FAK (unknown origin)
50014998	14	ChEMBL_692 (CHEMBL616275)	Inhibition concentration against 5-HT 1A receptor using cAMP as radioligand in CHO cells
50045176	47	ChEMBL_1446758 (CHEMBL3381073)	Inhibition of FGFR1 (unknown origin)
50045176	48	ChEMBL_1446759 (CHEMBL3381074)	Inhibition of FLT3 (unknown origin)
50045176	49	ChEMBL_1446760 (CHEMBL3381075)	Inhibition of GSK3beta (unknown origin)
50045176	50	ChEMBL_1446761 (CHEMBL3381076)	Inhibition of Haspin (unknown origin)
50045176	51	ChEMBL_1446762 (CHEMBL3381077)	Inhibition of IGFR1 (unknown origin)
50045176	52	ChEMBL_1446763 (CHEMBL3381078)	Inhibition of IKK2 (unknown origin)
50045176	53	ChEMBL_1446764 (CHEMBL3381079)	Inhibition of IR (unknown origin)
50045177	1	ChEMBL_1447676 (CHEMBL3375012)	Displacement of [3H]GR100679 from NK2 receptor (unknown origin) expressed in CHO/T cells
50045177	2	ChEMBL_1447675 (CHEMBL3375011)	Displacement of [125I]SDF1 from CXCR4 (unknown origin) expressed in CHO cells
50045178	1	ChEMBL_1447685 (CHEMBL3375583)	Inhibition of human GDT-fused recombinant PI3K-C2beta assessed as residual activity by nonradiometric ADP-Glo assay
50045178	2	ChEMBL_1447686 (CHEMBL3375584)	Inhibition of human GDT-fused recombinant PI3K-C2gamma assessed as residual activity by nonradiometric ADP-Glo assay
50045179	1	ChEMBL_1447692 (CHEMBL3375590)	Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP
50015001	1	ChEMBL_63600 (CHEMBL675247)	Inhibition of human epidermal growth factor 2 (Her-2) degradation in MCF-7 cells
50015001	3	ChEMBL_84810 (CHEMBL695091)	Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay
50015001	2	ChEMBL_84808 (CHEMBL693005)	Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)
50015001	4	ChEMBL_84811 (CHEMBL695092)	Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate
50015001	5	ChEMBL_84812 (CHEMBL695093)	Concentration required to inhibit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assay
50015002	2	ChEMBL_159896 (CHEMBL766724)	Inhibition concentration against cyclooxygenase-2 (COX-2) in human whole blood
50045180	1	ChEMBL_1447731 (CHEMBL3376223)	Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scintillation counting in presence of CP55940
50045180	2	ChEMBL_1447732 (CHEMBL3376224)	Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scintillation counting
50045180	3	ChEMBL_1448521 (CHEMBL3379273)	Antagonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scintillation counting in presence of 30 nM CP55940
50045180	4	ChEMBL_1448524 (CHEMBL3379276)	Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scintillation counting in presence of CP55940
50015007	2	ChEMBL_305674 (CHEMBL827943)	In vitro inhibitory activity against matrix metalloprotease-1
50015007	3	ChEMBL_305704 (CHEMBL827219)	In vitro inhibitory activity against matrix metalloprotease-13
50015007	1	ChEMBL_305748 (CHEMBL829519)	Inhibitory activity against Tumor necrosis factor alpha converting enzyme
50015009	1	ChEMBL_302338 (CHEMBL828922)	Inhibition constant against human Thrombin
50015010	1	ChEMBL_305608 (CHEMBL828146)	In vitro inhibitory concentration against Adenosine kinase in cycstolic assay
50015011	2	ChEMBL_305896 (CHEMBL874547)	Inhibition of [3H]dexamethasone binding to glucocorticoid receptor
50015011	1	ChEMBL_312086 (CHEMBL833998)	Inhibition of glucocorticoid receptor Dexamethasone response
50045180	5	ChEMBL_1448525 (CHEMBL3379277)	Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scintillation counting
50045181	1	ChEMBL_1448528 (CHEMBL3379280)	Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assay
50045181	2	ChEMBL_1448529 (CHEMBL3379281)	Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocorticoid receptor-dependent luciferase expression after 18 hrs by firefly luciferase reporter gene assay
50045182	1	ChEMBL_1448553 (CHEMBL3379829)	Competitive inhibition of recombinant Clostridium botulinum neurotoxin serotype A light chain assessed as reduction in initial rates of BoNT/A LC activity by SNAPtide FRET based assay
50045182	2	ChEMBL_1448552 (CHEMBL3379828)	Competitive inhibition of recombinant Clostridium botulinum neurotoxin serotype A light chain assessed as reduction in benzoquinone-mediated BoNT/A inactivation by SNAPtide FRET based assay
50045182	3	ChEMBL_1448551 (CHEMBL3379827)	Competitive inhibition of Clostridium botulinum neurotoxin serotype A light chain
50045182	4	ChEMBL_1448550 (CHEMBL3379826)	Competitive inhibition of recombinant Clostridium botulinum neurotoxin serotype A light chain assessed as [13C]-labeled 9-mer cleavage product formation using 66-mer substrate after 25 mins by LC-MS method
50045182	5	ChEMBL_1448541 (CHEMBL3379293)	Inhibition of Clostridium botulinum neurotoxin serotype A light chain
50045183	1	ChEMBL_1448561 (CHEMBL3379837)	Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method
50015015	1	ChEMBL_306718 (CHEMBL831481)	Inhibition of fluorescent (GpYEEI) binding to Src protein tyrosine kinase SH2 domain
50015018	1	ChEMBL_303166 (CHEMBL829978)	Inhibitory binding affinity for phenylethanolamine N-methyl-transferase (PNMT)
50045183	2	ChEMBL_1448562 (CHEMBL3379838)	Inhibition of human MAOB expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method
50015019	3	ChEMBL_305471 (CHEMBL831080)	Inhibitory concentration against human beta polymerase
50015019	2	ChEMBL_305669 (CHEMBL827938)	Inhibitory concentration against calf thymus alpha polymerase
50045184	1	ChEMBL_1449470 (CHEMBL3373886)	Inhibition of human DAGLalpha expressed in HEK293T cell membranes
50045184	2	ChEMBL_1449472 (CHEMBL3373888)	Inhibition of MB064 labeling of DAGLalpha in mouse brain homogenates by activity based protein profiling assay
50045184	3	ChEMBL_1449476 (CHEMBL3373892)	Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate
50015023	4	ChEMBL_302553 (CHEMBL828254)	Binding affinity against 5-Hydroxy tryptamine 7 receptor
50015023	2	ChEMBL_302552 (CHEMBL828253)	Binding affinity against 5-Hydroxy tryptamine 6 receptor
50015023	3	ChEMBL_302565 (CHEMBL839527)	Binding affinity against 5-Hydroxy tryptamine 2C receptor
50015024	4	ChEMBL_302554 (CHEMBL839517)	Binding affinity against 5-Hydroxy tryptamine 7 receptor
50015024	2	ChEMBL_302295 (CHEMBL875190)	Binding affinity against D2L receptor
50015024	3	ChEMBL_302566 (CHEMBL839528)	Binding affinity against 5-Hydroxy tryptamine 2C receptor
50045184	4	ChEMBL_1449471 (CHEMBL3373887)	Inhibition of human DAGLalpha expressed in HEK293T cell membranes assessed as reduction in hydrolysis of inhibition of [14C]-sn-1-oleoyl-2-arachidonoyl-glycerol
50045185	1	ChEMBL_1451067 (CHEMBL3366482)	Agonist activity at UT receptor in rat aorta assessed as contraction
50045185	2	ChEMBL_1451066 (CHEMBL3366481)	Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method
50045186	1	ChEMBL_1451081 (CHEMBL3366858)	Inhibition of aromatase (unknown origin) using dibenzylfluorescein substrate after 24 hrs by fluorescence assay
50045187	1	ChEMBL_1451090 (CHEMBL3366867)	Inhibition of human recombinant PI3Kalpha assessed as depletion of ATP substrate by Ultra Glo luciferase assay
50045187	2	ChEMBL_1451091 (CHEMBL3366868)	Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay
50045187	3	ChEMBL_1451092 (CHEMBL3366869)	Inhibition of human recombinant PI3Kgamma assessed as depletion of ATP substrate by Ultra Glo luciferase assay
50045187	4	ChEMBL_1451093 (CHEMBL3366870)	Inhibition of human recombinant PI3Kdelta assessed as depletion of ATP substrate by Ultra Glo luciferase assay
50045187	5	ChEMBL_1451094 (CHEMBL3366871)	Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Tyr308 Akt phosphorylation after 2 hrs by fluorescence assay
50015031	1	ChEMBL_305167 (CHEMBL832757)	Inhibitory concentration against humanized rabbit cathepsin K
50015031	4	ChEMBL_304817 (CHEMBL827906)	Inhibitory concentration against human cathepsin L
50015031	3	ChEMBL_304815 (CHEMBL827904)	Inhibitory concentration against human cathepsin B
50015031	2	ChEMBL_304818 (CHEMBL827907)	Inhibitory concentration against human cathepsin S
50015031	5	ChEMBL_304816 (CHEMBL827905)	Inhibitory concentration against human cathepsin K
50045187	6	ChEMBL_1451085 (CHEMBL3366862)	Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay
50015033	2	ChEMBL_306397 (CHEMBL828738)	Inhibitory concentration against interleukin-8 receptor of human neutrophils by using [125I]IL-8 (0.125 nM) as radioligand
50015033	1	ChEMBL_311830 (CHEMBL833463)	Inhibition of interleukin-8 induced elastase release from human neutrophils
50015034	5	ChEMBL_306349 (CHEMBL828168)	In vitro inhibitory concentration against human casein kinase 1 delta (CK1 delta) by using [gamma-33P]-ATP] as radioligand
50015034	7	ChEMBL_306362 (CHEMBL828239)	In vitro inhibitory concentration against human protein kinase C beta-2 (PKCbetaII) by using [gamma-33P]-ATP] as radioligand
50015034	3	ChEMBL_306067 (CHEMBL833022)	In vitro inhibitory concentration against checkpoint kinase 2 (Chk2) by using [gamma-33P]-ATP] as radioligand
50015034	6	ChEMBL_306511 (CHEMBL828116)	In vitro inhibitory concentration against human mitogen-activated protein kinase-1 (MEK-1) by using [gamma-33P]-ATP] as radioligand
50015034	1	ChEMBL_306094 (CHEMBL830869)	In vitro inhibitory concentration against human casein kinase 2 (CK2) by using [gamma-33P]-ATP] as radioligand
50045188	1	ChEMBL_1452909 (CHEMBL3366561)	Inhibition of ROS1 (unknown origin) assessed as remaining activity
50015037	2	ChEMBL_305898 (CHEMBL832081)	Inhibitory concentration against dual-specificity phosphatase Cell division cycle (Cdc) 25A
50015037	1	ChEMBL_305899 (CHEMBL832082)	Inhibitory concentration against dual-specificity phosphatase Cell division cycle (Cdc) 25B
50015038	1	ChEMBL_304170 (CHEMBL830008)	Effective concentration against telomerase by TRAP
50045189	1	ChEMBL_1452940 (CHEMBL3366592)	Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader
50045189	2	ChEMBL_1452941 (CHEMBL3366593)	Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader
50045189	3	ChEMBL_1452942 (CHEMBL3366594)	Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader
50015042	1	ChEMBL_303257 (CHEMBL826383)	Inhibition of [3H]raclopride binding to Dopamine receptor D2A in rat
50015042	4	ChEMBL_303450 (CHEMBL839710)	Inhibition of [3H]8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor
50015042	10	ChEMBL_303365 (CHEMBL839683)	Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor
50015042	9	ChEMBL_305399 (CHEMBL833049)	Inhibition of [3H]5-HT binding to rat 5-HT6 receptor
50015042	2	ChEMBL_302905 (CHEMBL830366)	Inhibition of [3H]raclopride binding to human dopamine D2A receptor expressed in Ltk cells
50015042	3	ChEMBL_302940 (CHEMBL841775)	Inhibition of [3H]8-OH-DPAT binding to human 5-HT1A receptor
50015042	6	ChEMBL_302821 (CHEMBL839511)	Inhibition of [3H]5-HT binding to rat 5-HT7 receptor
50015042	8	ChEMBL_306134 (CHEMBL831369)	Inhibition of [3H]GR-65630 binding to rabbit ileum muscularis 5-HT3 receptor
50015042	7	ChEMBL_302822 (CHEMBL839612)	Inhibition of [3H]-5-HT binding to rat 5-HT6 receptor
50015042	5	ChEMBL_306061 (CHEMBL832197)	Inhibition of [3H]- GR-113808 binding to guinea pig striatum 5-HT4 receptor
50045189	4	ChEMBL_1452945 (CHEMBL3366597)	Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol
50015043	2	ChEMBL_305104 (CHEMBL832407)	Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter
50045189	5	ChEMBL_1452946 (CHEMBL3366598)	Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol
50045189	6	ChEMBL_1452947 (CHEMBL3366599)	Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreitol
50045190	1	ChEMBL_1453809 (CHEMBL3365186)	Agonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as potentiation of NT(8-13) peptide-induced change in intracellular Ca2+ level preincubated for 45 mins by FLIPR assay
50045190	2	ChEMBL_1453811 (CHEMBL3365188)	Antagonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as inhibition of NT(8-13) peptide-induced change in intracellular Ca2+ level preincubated for 45 mins by FLIPR assay
50045191	1	ChEMBL_1453812 (CHEMBL3365189)	Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay
50045192	1	ChEMBL_1453820 (CHEMBL3365197)	Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrs
50045193	1	ChEMBL_1454685 (CHEMBL3362239)	Inhibition of human PDE4B
50015046	1	ChEMBL_306171 (CHEMBL830966)	Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells
50015046	3	ChEMBL_303394 (CHEMBL839965)	Binding affinity for Melanin-concentrating hormone 1 receptor expressed in CHO cells; Range is 40-79
50015047	2	ChEMBL_305178 (CHEMBL832767)	Inhibition of ovine Prostaglandin G/H synthase 2
50015047	1	ChEMBL_305177 (CHEMBL832766)	Inhibition of ovine Prostaglandin G/H synthase 1
50045193	2	ChEMBL_1454686 (CHEMBL3362240)	Inhibition of human PDE4D
50045193	3	ChEMBL_1454689 (CHEMBL3362243)	Inhibition of human PDE4D7
50045193	4	ChEMBL_1454688 (CHEMBL3362242)	Inhibition of human PDE4B1
50045194	1	ChEMBL_1454703 (CHEMBL3362622)	Agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assay
50045194	2	ChEMBL_1454702 (CHEMBL3362621)	Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay
50045194	3	ChEMBL_1454701 (CHEMBL3362620)	Partial agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assay
50045194	4	ChEMBL_1454700 (CHEMBL3362619)	Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay
50045194	5	ChEMBL_1454707 (CHEMBL3362626)	Agonist activity at mouse NMUR2 expressed in HEK293 cells by calcium mobilization assay
50045194	6	ChEMBL_1454706 (CHEMBL3362625)	Agonist activity at mouse NMUR1 expressed in HEK293 cells by calcium mobilization assay
50045195	1	ChEMBL_1454719 (CHEMBL3362638)	Inhibition of HDAC in human HeLa cell lysates after 30 mins by fluorescence based assay
50045196	1	ChEMBL_1454723 (CHEMBL3362642)	Antagonist activity at human TAS2R31 expressed in HEK-293T cells stably expressing Galpha16gust44 assessed as inhibition receptor response to saccharin by fluorescence assay
50045197	18	ChEMBL_1455517 (CHEMBL3364570)	Inhibition of human recombinant PKCgamma expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	15	ChEMBL_1454725 (CHEMBL3362644)	Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	12	ChEMBL_1454734 (CHEMBL3362926)	Inhibition of human recombinant PKCbeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	17	ChEMBL_1454726 (CHEMBL3362645)	Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	16	ChEMBL_1454736 (CHEMBL3362928)	Inhibition of human recombinant PKCepsilon expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	20	ChEMBL_1455519 (CHEMBL3364572)	Inhibition of human recombinant PKCzeta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50015050	3	ChEMBL_305774 (CHEMBL827963)	In vitro inhibition of Vascular endothelial growth factor receptor 2
50015050	4	ChEMBL_305378 (CHEMBL832893)	In vitro inhibition of Epidermal growth factor receptor
50045197	11	ChEMBL_1455543 (CHEMBL3364596)	Inhibition of human ERG
50015051	3	ChEMBL_305468 (CHEMBL831078)	Inhibitory effect on human reticulocyte 15-lipoxygenase
50015051	2	ChEMBL_305339 (CHEMBL833559)	Inhibitory effect on human platelet 12-lipoxygenase
50045197	14	ChEMBL_1454735 (CHEMBL3362927)	Inhibition of human recombinant PKCdelta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence in-vitro kinase assay
50045197	19	ChEMBL_1454727 (CHEMBL3362646)	Inhibition of FAK (unknown origin) by TR-FRET assay
50015052	4	ChEMBL_305297 (CHEMBL832845)	Inhibition of Opioid receptor mu 1 in guinea pig ileum assay
50045198	1	ChEMBL_1450299 (CHEMBL3377010)	Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins
50045199	1	ChEMBL_1450309 (CHEMBL3377546)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50045199	2	ChEMBL_1450310 (CHEMBL3377547)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50015054	3	ChEMBL_302493 (CHEMBL828210)	Binding affinity for human melanocortin 4 receptor
50015054	2	ChEMBL_303300 (CHEMBL827433)	Inhibition of [125I]NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK293 cells
50015054	1	ChEMBL_302491 (CHEMBL827181)	Binding affinity for human melanocortin 1 receptor
50045200	1	ChEMBL_1451138 (CHEMBL3361603)	Binding affinity to procaspase-3 (unknown origin)
50045200	2	ChEMBL_1451137 (CHEMBL3361602)	Binding affinity to Bcl-2 (unknown origin)
50045201	1	ChEMBL_1451141 (CHEMBL3361606)	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced channel activation by FLIPR assay
50045201	2	ChEMBL_1451144 (CHEMBL3361609)	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of NADA-induced channel activation by FLIPR assay
50024389	1	ChEMBL_550966 (CHEMBL1000806)	Inhibition of human CYP2D6 by radiometric assay
50024389	2	ChEMBL_550965 (CHEMBL1000805)	Inhibition of human CYP3A4 by radiometric assay
50024394	1	ChEMBL_551028 (CHEMBL1004289)	Inhibition of iNOS in ddY mouse peritoneal exudate cells after 20 hrs
50045201	3	ChEMBL_1451143 (CHEMBL3361608)	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of 45 degC heat-induced channel activation by FLIPR assay
50045201	4	ChEMBL_1451142 (CHEMBL3361607)	Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of pH-induced channel activation by FLIPR assay
50045202	1	ChEMBL_1451182 (CHEMBL3362011)	Inhibition of PDK1 (unknown origin) expressed in HEK293 cells using PDKtide as substrate after 10 mins by liquid scintillation counting in presence of [gamma-32P]ATP
50045203	1	ChEMBL_1454785 (CHEMBL3363246)	Inhibition of ACE (unknown origin)
50048387	2	ChEMBL_208606 (CHEMBL812283)	Inhibitory activity against HeLa cell Topoisomerase II
50048389	2	ChEMBL_46140 (CHEMBL660013)	Compound was evaluated for the inhibition of [3H]WIN-55212-2 binding in rat cerebellum membranes
50029689	4	ChEMBL_154778 (CHEMBL761498)	Dissociation constant (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate
50029695	2	ChEMBL_218201 (CHEMBL824550)	Inhibition of platelet glycoprotein alpha IIb beta-3 integrin in ELISA
50048390	1	ChEMBL_104930 (CHEMBL714710)	Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]- melatonin radioligand binding assay
50045204	1	ChEMBL_1455579 (CHEMBL3364956)	Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis
50045204	2	ChEMBL_1454788 (CHEMBL3363249)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis
50045205	1	ChEMBL_1455608 (CHEMBL3365309)	Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins
50045206	1	ChEMBL_1455634 (CHEMBL3365663)	Inhibition of ovine COX1 using fluorometric substrate by fluorescent inhibitor screening assay
50045206	2	ChEMBL_1455636 (CHEMBL3365665)	Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay
50045207	1	ChEMBL_1456579 (CHEMBL3369961)	Inhibition of human PDE10A (amino acids 14 to 779) using [3H]-labelled cyclic nucleotide as substrate after 1 hr b beta counting
50045208	1	ChEMBL_1456596 (CHEMBL3369978)	Inhibition of [3H]norepinephrine reuptake at human NET expressed in CHO cells after 45 mins by scintillation counting
50045208	2	ChEMBL_1456595 (CHEMBL3369977)	Inhibition of [3H]serotonin reuptake at human SERT expressed in CHO cells after 20 mins by scintillation counting
50045208	3	ChEMBL_1456597 (CHEMBL3369979)	Inhibition of [3H]dopamine reuptake at human DAT expressed in CHO cells after 60 mins by scintillation counting
50045209	1	ChEMBL_1457456 (CHEMBL3367596)	Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation
50045209	2	ChEMBL_1457458 (CHEMBL3367598)	Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry
50045210	1	ChEMBL_1457460 (CHEMBL3367600)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50045210	2	ChEMBL_1457463 (CHEMBL3367603)	Agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045210	3	ChEMBL_1457464 (CHEMBL3367604)	Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045210	4	ChEMBL_1457465 (CHEMBL3367605)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50015073	8	ChEMBL_302950 (CHEMBL841785)	Binding affinity for human peroxisome proliferator activated receptor alpha
50015073	4	ChEMBL_304406 (CHEMBL831811)	Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay
50015073	1	ChEMBL_304407 (CHEMBL831812)	Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay
50015073	6	ChEMBL_302951 (CHEMBL841786)	Binding affinity for human peroxisome proliferator activated receptor gamma
50015073	3	ChEMBL_302914 (CHEMBL830374)	Binding affinity for human peroxisome proliferator activated receptor alpha
50015073	5	ChEMBL_304410 (CHEMBL831815)	Effective concentration against murine peroxisome proliferator activated receptor gamma in Gal4 transactivation assay
50015073	2	ChEMBL_304404 (CHEMBL832617)	Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assay
50015073	7	ChEMBL_302915 (CHEMBL830375)	Binding affinity for murine peroxisome proliferator activated receptor gamma
50015074	4	ChEMBL_302743 (CHEMBL852350)	Inhibition of quiescent cell proline dipeptidase (QPP)
50015074	1	ChEMBL_304955 (CHEMBL827834)	Inhibitory concentration against dipeptidylpeptidase IV
50015074	3	ChEMBL_302564 (CHEMBL839526)	Inhibitory concentration against dipeptidylpeptidase IV
50015074	2	ChEMBL_302398 (CHEMBL829643)	Binding affinity for dipeptidylpeptidase IV
50015075	2	ChEMBL_302800 (CHEMBL838509)	Inhibitory activity against Protein-tyrosine phosphatase 1B at pH 5.5
50015075	1	ChEMBL_302605 (CHEMBL838572)	Inhibitory activity against Protein-tyrosine phosphatase 1B
50015076	1	ChEMBL_306013 (CHEMBL833529)	In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1
50015077	5	ChEMBL_302584 (CHEMBL839544)	Binding affinity for human recombinant dopamine receptor D1
50015077	7	ChEMBL_302586 (CHEMBL839546)	Binding affinity for human recombinant dopamine receptor D5
50015077	2	ChEMBL_302620 (CHEMBL876688)	Binding affinity for human recombinant dopamine receptor D4.4
50015077	1	ChEMBL_302602 (CHEMBL838569)	Binding affinity for human recombinant dopamine receptor D2L
50015077	4	ChEMBL_302585 (CHEMBL839545)	Binding affinity for human recombinant dopamine receptor D3
50015077	3	ChEMBL_302583 (CHEMBL839543)	Binding affinity for human recombinant dopamine D2 receptor
50015077	6	ChEMBL_302619 (CHEMBL838817)	Binding affinity for human recombinant dopamine receptor D4.2
50045210	5	ChEMBL_1457466 (CHEMBL3367606)	Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045210	6	ChEMBL_1457467 (CHEMBL3367607)	Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045210	7	ChEMBL_1457468 (CHEMBL3367608)	Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045210	8	ChEMBL_1457469 (CHEMBL3367609)	Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045211	1	ChEMBL_1457493 (CHEMBL3367860)	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux assay
50045211	2	ChEMBL_1457494 (CHEMBL3367861)	Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux assay
50045211	3	ChEMBL_1457497 (CHEMBL3367864)	Inhibition of human ERG
50045211	4	ChEMBL_1457496 (CHEMBL3367863)	Inhibition of KCNQ2 (unknown origin)
50045211	5	ChEMBL_1457498 (CHEMBL3367865)	Inhibition of Kir2.1 (unknown origin)
50045211	7	ChEMBL_1457501 (CHEMBL3367868)	Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay
50045211	8	ChEMBL_1457502 (CHEMBL3367869)	Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay
50045212	1	ChEMBL_1458367 (CHEMBL3369560)	Inhibition of human ERG
50045213	1	ChEMBL_1458370 (CHEMBL3369563)	Binding affinity to human His-tagged PPARgamma LBD by SPR method
50015083	1	ChEMBL_305353 (CHEMBL832733)	Inhibitory activity against transcription activator protein-1 (AP-1)
50015084	1	ChEMBL_304756 (CHEMBL876479)	Inhibition of tubulin polymerization
50015085	1	ChEMBL_302861 (CHEMBL828776)	Inhibition constant against Plasmodium falciparum dihydrofolate reductase
50045213	2	ChEMBL_1458369 (CHEMBL3369562)	Agonist activity at human PPARgamma
50045214	1	ChEMBL_1458378 (CHEMBL3369808)	Inhibition of horse serum BChE by spectrophotometry based Ellman's method
50015088	2	ChEMBL_303373 (CHEMBL839691)	Binding affinity for human growth hormone secretagogue receptor was determined using [125I]ghrelin
50015088	1	ChEMBL_306285 (CHEMBL874562)	Binding affinity for human growth hormone secretagogue receptor was determined using [125I]ghrelin
50015089	4	ChEMBL_303190 (CHEMBL829684)	Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor
50015089	3	ChEMBL_303307 (CHEMBL840033)	Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor
50015089	2	ChEMBL_302512 (CHEMBL828227)	Selectivity for recombinant human adenosine A2a receptor
50015089	6	ChEMBL_302487 (CHEMBL827177)	Selectivity for recombinant human adenosine A3 receptor
50015089	1	ChEMBL_302513 (CHEMBL828228)	Selectivity for recombinant human adenosine A2b receptor
50015089	5	ChEMBL_302486 (CHEMBL875210)	Selectivity for recombinant human adenosine A1 receptor
50045214	2	ChEMBL_1458377 (CHEMBL3369807)	Inhibition of Torpedo californica AChE by spectrophotometry based Ellman's method
50015094	1	ChEMBL_306707 (CHEMBL832609)	Inhibition of [3H]9-cis-retinoic acid binding to human retinoid X receptor alpha ligand-binding domain expressed in Escherichia coli
50015099	2	ChEMBL_303718 (CHEMBL829053)	Inhibition of [3H]methyl-AdoMet binding to human phenylethanolamine N-methyl-transferase expressed in Escherichia coli BL21
50045214	3	ChEMBL_1458380 (CHEMBL3369810)	Mixed type inhibition of Torpedo californica AChE by Lineweaver-Burk plot
50045215	1	ChEMBL_1458393 (CHEMBL3369823)	Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay
50015099	1	ChEMBL_303723 (CHEMBL829058)	Inhibition of [3H]methyl-AdoMet binding to human phenylethanolamine N-methyl-transferase expressed in Escherichia coli BL21
50045215	2	ChEMBL_1458409 (CHEMBL3369839)	Inhibition of GSK3beta (unknown origin)
50015100	27	ChEMBL_306803 (CHEMBL831710)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.020-0.026)
50015100	21	ChEMBL_306806 (CHEMBL831713)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.038-0.042)
50015100	2	ChEMBL_305842 (CHEMBL829583)	Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells
50015100	15	ChEMBL_306641 (CHEMBL832978)	Inhibition of c-Jun N-terminal kinase 1-alpha 1 binding in fluorescence polarization assay
50015100	3	ChEMBL_306813 (CHEMBL831004)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.864-3.661)
50015100	4	ChEMBL_306812 (CHEMBL830169)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.783-1.764)
50015100	26	ChEMBL_306242 (CHEMBL831152)	Inhibition of c-Jun N-terminal kinase 3-alpha binding in HTRF assay
50015100	12	ChEMBL_306211 (CHEMBL831120)	Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells
50015100	31	ChEMBL_306809 (CHEMBL830166)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.180-0.790)
50015100	20	ChEMBL_306824 (CHEMBL831015)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (3.221-19.588)
50015100	24	ChEMBL_306804 (CHEMBL831711)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.021-0.042)
50015100	6	ChEMBL_306814 (CHEMBL831005)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (1.375-9.154)
50015100	22	ChEMBL_306620 (CHEMBL829080)	Binding affinity for Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay
50015100	30	ChEMBL_306166 (CHEMBL830961)	Inhibition of IL-2-inducible T-cell kinase binding in HTRF assay
50015100	25	ChEMBL_306443 (CHEMBL829087)	Inhibition of Protein kinase Raf-B binding in fluorescence polarization assay
50015100	7	ChEMBL_306291 (CHEMBL828433)	Inhibition of MSK-1 kinase binding in fluorescence polarization assay
50015100	5	ChEMBL_306815 (CHEMBL831006)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (2.423-6.540)
50015100	23	ChEMBL_306805 (CHEMBL831712)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.029-0.032)
50015100	14	ChEMBL_306811 (CHEMBL830168)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.356-4.455)
50015100	18	ChEMBL_306807 (CHEMBL832529)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.040-0.044)
50015100	19	ChEMBL_306825 (CHEMBL831016)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (5.326-22.574)
50015100	17	ChEMBL_306263 (CHEMBL828396)	Inhibition of MLK3 kinase binding in fluorescence polarization assay
50015100	16	ChEMBL_306808 (CHEMBL832530)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.095-5.521)
50015100	28	ChEMBL_306802 (CHEMBL831709)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.019-0.032)
50015100	9	ChEMBL_306069 (CHEMBL833024)	Inhibition of p56 Lck tyrosine kinase binding in HTRF assay
50015100	13	ChEMBL_306810 (CHEMBL830167)	Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescence polarization binding assay; Range is (0.289-3.621)
50045216	1	ChEMBL_1459227 (CHEMBL3367253)	Displacement of [3H]EB from rat nAChR alpha7 expressed in HEK293 cell membranes by liquid scintillation counting
50015101	11	ChEMBL_306105 (CHEMBL830879)	Inhibition of Fgr protein kinase
50045216	2	ChEMBL_1459230 (CHEMBL3367256)	Agonist activity at rat nAChR alpha7 expressed in GH4C1 cells by fluorescent calcium assay
50045217	1	ChEMBL_1459244 (CHEMBL3367270)	Inhibition of xanthine oxidase (unknown origin)
50045217	2	ChEMBL_1459243 (CHEMBL3367269)	Inhibition of HIV-1 integrase strand transfer activity
50045217	3	ChEMBL_1459242 (CHEMBL3367268)	Inhibition of HIV-1 integrase terminal cleavage activity
50045217	4	ChEMBL_1459234 (CHEMBL3367260)	Binding affinity to human adenosine A3 receptor
50015101	16	ChEMBL_305894 (CHEMBL832909)	Inhibition of Yes kinase
50015101	12	ChEMBL_305893 (CHEMBL832908)	Inhibition of Src kinase
50045217	5	ChEMBL_1459232 (CHEMBL3367258)	Inhibition of AChE (unknown origin)
50045217	6	ChEMBL_1459231 (CHEMBL3367257)	Inhibition of telomerase activity (unknown origin)
50015101	13	ChEMBL_300015 (CHEMBL838581)	Inhibition of I-kappa-B-kinase beta
50045217	7	ChEMBL_1459251 (CHEMBL3367481)	Inhibition of forskolin-stimulated CFTR (unknown origin)
50045217	8	ChEMBL_1459250 (CHEMBL3367480)	Stimulation of CFTR (unknown origin)
50045217	9	ChEMBL_1459249 (CHEMBL3367479)	Inhibition of SSADH (unknown origin)
50015101	9	ChEMBL_306396 (CHEMBL828737)	Inhibition of Epidermal growth factor receptor
50045217	10	ChEMBL_1459248 (CHEMBL3367274)	Inhibition of GABA transaminase (unknown origin)
50045218	1	ChEMBL_1459253 (CHEMBL3367483)	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method
50045218	2	ChEMBL_1459252 (CHEMBL3367482)	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method
50015101	6	ChEMBL_306223 (CHEMBL831131)	Inhibition of Cyclin-dependent kinase
50015101	18	ChEMBL_306106 (CHEMBL830057)	Inhibition of Fyn protein kinase
50015101	17	ChEMBL_305891 (CHEMBL832906)	Inhibition of Lyn kinase
50015101	2	ChEMBL_305890 (CHEMBL832905)	Inhibition of Hck kinase
50015101	14	ChEMBL_300014 (CHEMBL852062)	Inhibition of HER2 kinase
50015101	20	ChEMBL_306647 (CHEMBL832984)	Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa (ZAP-70)
50015101	8	ChEMBL_306306 (CHEMBL828598)	Inhibition of Syk protein tyrosine kinase
50015102	1	ChEMBL_306565 (CHEMBL829140)	Binding affinity for human Aldose reductase 2 expressed in Escherichia coli
50045218	3	ChEMBL_1459254 (CHEMBL3367484)	Inhibition of human recombinant carbonic anhydrase 9 by stopped flow CO2 hydration method
50015104	12	ChEMBL_303460 (CHEMBL839720)	Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]MGS-0008
50015104	6	ChEMBL_306007 (CHEMBL832680)	Concentration required to inhibit metabotropic glutamate receptor 3 activity of rat expressed in CHO cells
50015104	14	ChEMBL_306009 (CHEMBL833525)	Concentration required to inhibit metabotropic glutamate receptor 5 activity of rat expressed in CHO cells
50015104	10	ChEMBL_303461 (CHEMBL839721)	Binding affinity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells was determined by using [3H]MGS-0008
50015104	2	ChEMBL_304274 (CHEMBL829875)	Effective concentration for agonistic activity towards metabotropic glutamate receptor 3 of rat expressed in CHO cells
50015104	1	ChEMBL_304276 (CHEMBL829877)	Effective concentration for agonistic activity towards metabotropic glutamate receptor 6 of rat expressed in CHO cells
50015104	7	ChEMBL_303462 (CHEMBL839722)	Binding affinity towards metabotropic glutamate receptor 7 of rat expressed in CHO cells was determined by using [3H]MGS-0008
50015104	8	ChEMBL_306008 (CHEMBL832681)	Concentration required to inhibit metabotropic glutamate receptor 4 activity of rat expressed in CHO cells
50015104	3	ChEMBL_304275 (CHEMBL829876)	Effective concentration for agonistic activity towards metabotropic glutamate receptor 5 of rat expressed in CHO cells
50015104	13	ChEMBL_306006 (CHEMBL832679)	Concentration required to inhibit metabotropic glutamate receptor 2 activity of rat expressed in CHO cells
50015104	11	ChEMBL_306005 (CHEMBL832678)	Concentration required to inhibit metabotropic glutamate receptor 1 activity of rat expressed in CHO cells
50015104	9	ChEMBL_304273 (CHEMBL829874)	Effective concentration for agonistic activity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells
50015104	4	ChEMBL_306010 (CHEMBL833526)	Concentration required to inhibit metabotropic glutamate receptor 6 activity of rat expressed in CHO cells
50015104	5	ChEMBL_304272 (CHEMBL829873)	Effective concentration for agonistic activity towards metabotropic glutamate receptor 1 of rat expressed in CHO cells
50045218	4	ChEMBL_1459255 (CHEMBL3367485)	Inhibition of human recombinant carbonic anhydrase 12 by stopped flow CO2 hydration method
50015106	4	ChEMBL_302998 (CHEMBL830237)	Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH
50015106	3	ChEMBL_302997 (CHEMBL830236)	Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH
50015106	1	ChEMBL_302995 (CHEMBL830234)	Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH
50017692	10	ChEMBL_344937 (CHEMBL870716)	Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells
50018357	9	ChEMBL_398430 (CHEMBL908009)	Inhibition of human uPA
50046801	2	ChEMBL_1526207 (CHEMBL3636892)	Inhibition of human Nav1.7 by patch-clamp assay
50046802	1	ChEMBL_1526208 (CHEMBL3636893)	Displacement of 25-[3H]hydroxycholesterol from N-terminal 6xHis-GST-tagged human RORc ligand binding domain expressed in Escherichia coli after 3 hrs by scintillation counting analysis
50046803	1	ChEMBL_1526213 (CHEMBL3636898)	Inhibition of B-RAF V600E mutant (unknown origin)
50046803	2	ChEMBL_1526227 (CHEMBL3636912)	Inhibition of B-RAF V600E mutant in human WM-1799 cells assessed as phosphorylation of ERK
50046803	3	ChEMBL_1526226 (CHEMBL3636911)	Inhibition of B-RAF V600E mutant in human Malme-3M cells assessed as phosphorylation of ERK
50046803	4	ChEMBL_1526225 (CHEMBL3636910)	Inhibition of B-RAF V600E mutant in human A375 cells assessed as phosphorylation of ERK
50046803	5	ChEMBL_1526224 (CHEMBL3636909)	Inhibition of wild type c-RAF (unknown origin)
50046803	6	ChEMBL_1526223 (CHEMBL3636908)	Inhibition of wild type B-RAF (unknown origin)
50046803	7	ChEMBL_1526222 (CHEMBL3636907)	Inhibition of SRC (unknown origin)
50046803	8	ChEMBL_1526221 (CHEMBL3636906)	Inhibition of FYN (unknown origin)
50046803	9	ChEMBL_1526220 (CHEMBL3636905)	Inhibition of LCK (unknown origin)
50015108	2	ChEMBL_306547 (CHEMBL828292)	Inhibition of human Phosphodiesterase 3A3 expressed in baculovirus infected Sf9 cells
50015108	1	ChEMBL_306551 (CHEMBL828296)	Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells
50015108	4	ChEMBL_306549 (CHEMBL828294)	Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells
50045219	1	ChEMBL_1459268 (CHEMBL3367498)	Inhibition of PIM1 (unknown origin)
50045219	2	ChEMBL_1459267 (CHEMBL3367497)	Inhibition of HIPK1 (unknown origin)
50045219	3	ChEMBL_1459265 (CHEMBL3367495)	Inhibition of ERK2 (unknown origin)
50045219	4	ChEMBL_1459266 (CHEMBL3367496)	Inhibition of Aurora B (unknown origin)
50045219	5	ChEMBL_1459269 (CHEMBL3367499)	Inhibition of KDR (unknown origin)
50045219	6	ChEMBL_1459270 (CHEMBL3367500)	Inhibition of TrkA (unknown origin)
50045219	7	ChEMBL_1459271 (CHEMBL3367501)	Inhibition of c-Abl (unknown origin)
50015110	4	ChEMBL_306553 (CHEMBL828298)	Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells
50015110	10	ChEMBL_306550 (CHEMBL828295)	Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells
50015110	5	ChEMBL_306670 (CHEMBL832271)	In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells
50015110	9	ChEMBL_306668 (CHEMBL832269)	In vitro inhibition of human Phosphodiesterase 3A3 expressed in baculovirus infected Sf9 cells
50015110	2	ChEMBL_306669 (CHEMBL832270)	In vitro inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells
50045219	8	ChEMBL_1459272 (CHEMBL3367502)	Inhibition of YES (unknown origin)
50015110	6	ChEMBL_306548 (CHEMBL828293)	Inhibition of human Phosphodiesterase 3A3 expressed in baculovirus infected Sf9 cells
50045220	1	ChEMBL_1459289 (CHEMBL3367519)	Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by Lineweaver-Burk plot
50045220	2	ChEMBL_1459288 (CHEMBL3367518)	Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by HPLC analysis
50015111	1	ChEMBL_306339 (CHEMBL828159)	Inhibition of human PDE4D3 expressed in baculovirus infected Sf9 cells
50015111	2	ChEMBL_306340 (CHEMBL828160)	Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells
50015111	5	ChEMBL_306338 (CHEMBL828158)	Inhibition of human PDE3A3 expressed in baculovirus infected Sf9 cells
50045221	1	ChEMBL_1459290 (CHEMBL3367520)	Agonist activity at wild-type human PPARalpha LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay
50045221	2	ChEMBL_1460054 (CHEMBL3368588)	Agonist activity at human PPARgamma LBD expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay
50045221	3	ChEMBL_1460057 (CHEMBL3368591)	Agonist activity at wild-type human PPARalpha Thr279Ala mutant expressed in COS7 cells after 12 hrs by Dual-Glo luciferase assay
50045222	1	ChEMBL_1460060 (CHEMBL3368594)	Inhibition of HMG-CoA reductase (unknown origin)
50045223	1	ChEMBL_1460062 (CHEMBL3368596)	Inhibition of human CA2 by CO2 hydration activity based stopped flow assay
50045223	2	ChEMBL_1460063 (CHEMBL3368597)	Inhibition of human CA9 by CO2 hydration activity based stopped flow assay
50045223	3	ChEMBL_1460064 (CHEMBL3368598)	Inhibition of human CA12 by CO2 hydration activity based stopped flow assay
50015115	1	ChEMBL_305518 (CHEMBL827656)	Binding affinity for Prostaglandin G/H synthase 2 (COX-2)
50015116	1	ChEMBL_305493 (CHEMBL831096)	Inhibitory activity against human Acyl-CoA:cholesterol acyltransferase-2
50015116	2	ChEMBL_305492 (CHEMBL831095)	Inhibitory activity against human Acyl-CoA:cholesterol acyltransferase-1
50015117	2	ChEMBL_302366 (CHEMBL829547)	Binding affinity towards human 5-hydroxytryptamine 1B receptor
50015117	3	ChEMBL_302367 (CHEMBL829548)	Binding affinity towards human 5-hydroxytryptamine 1D receptor
50015117	5	ChEMBL_302582 (CHEMBL839542)	Binding affinity towards human Alpha-1 adrenergic receptor
50015117	1	ChEMBL_302740 (CHEMBL838687)	Binding affinity towards human 5-hydroxytryptamine 1D receptor at a dose of 5 mg/kg
50015117	4	ChEMBL_302739 (CHEMBL838686)	Binding affinity towards human 5-hydroxytryptamine 1B receptor at a dose of 5 mg/kg
50015122	3	ChEMBL_305041 (CHEMBL831679)	Inhibitory concentration against matrix metalloprotease 1
50015122	9	ChEMBL_305094 (CHEMBL832398)	Inhibitory concentration against matrix metalloprotease 13
50015122	2	ChEMBL_305042 (CHEMBL831680)	Inhibition of matrix metalloprotease 2
50015122	1	ChEMBL_305043 (CHEMBL831681)	Inhibition of matrix metalloprotease 3
50015122	8	ChEMBL_305093 (CHEMBL832397)	Inhibition of matrix metalloprotease 12
50045223	4	ChEMBL_1460061 (CHEMBL3368595)	Inhibition of human CA1 by CO2 hydration activity based stopped flow assay
50015123	7	ChEBML_305918	Inhibitory concentration against Mu opioid receptor of guinea pig ileum
50015123	2	ChEBML_306000	Inhibitory concentration against Kappa opioid receptor of guinea pig ileum
50015123	6	ChEBML_305941	Inhibitory concentration against Delta opioid receptor of mouse vas deferens
50046803	10	ChEMBL_1526219 (CHEMBL3636904)	Inhibition of PDGFRbeta (unknown origin)
50015125	1	ChEMBL_306377 (CHEMBL874565)	Inhibitory concentration against human whole blood Prostaglandin G/H synthase 2 enzyme activity was determined
50045224	1	ChEMBL_1460072 (CHEMBL3368832)	Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIPR method
50045224	2	ChEMBL_1460073 (CHEMBL3368833)	Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIPR method
50045224	3	ChEMBL_1460074 (CHEMBL3368834)	Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIPR method
50015129	1	ChEMBL_304966 (CHEMBL827095)	Inhibitory concentration against Dipeptidyl peptidase IV
50015129	2	ChEMBL_305345 (CHEMBL832725)	Inhibitory concentration against quiescent cell proline dipeptidase
50015130	2	ChEMBL_305276 (CHEMBL832825)	Inhibitory concentration against quiescent cell proline peptidase
50015130	1	ChEMBL_304967 (CHEMBL877465)	Inhibitory concentration against Dipeptidylpeptidase IV
50045225	1	ChEMBL_1460090 (CHEMBL3368850)	Inhibition of mouse GAT4 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting
50045225	2	ChEMBL_1460089 (CHEMBL3368849)	Inhibition of mouse GAT3 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting
50045225	3	ChEMBL_1460088 (CHEMBL3368848)	Inhibition of mouse GAT2 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting
50045225	4	ChEMBL_1460087 (CHEMBL3368847)	Inhibition of mouse GAT1 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake treated with compound irradiated at 375 nm for 30 mins measured after 25 mins by liquid scintillation counting
50045225	5	ChEMBL_1460086 (CHEMBL3368846)	Inhibition of mouse GAT1 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake treated with compound irradiated at 350 nm for 30 mins measured after 25 mins by liquid scintillation counting
50045225	6	ChEMBL_1460085 (CHEMBL3368845)	Inhibition of mouse GAT1 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting
50045226	1	ChEMBL_1460097 (CHEMBL3368857)	Inhibition of androgen receptor binding function 3 in human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reduction in PSA expression after 3 days by prostate surface antigen assay
50045226	2	ChEMBL_1460096 (CHEMBL3368856)	Inhibition of androgen receptor binding function 3 in eGFP-expressing human LNCAP cells containing androgen-responsive probasin-derived promoter assessed as reduction in androgen receptor transcriptional activity after 3 days
50024411	1	ChEMBL_502526 (CHEMBL987520)	Inhibition of human 12-lipoxygenase
50024411	2	ChEMBL_502527 (CHEMBL987521)	Inhibition of human 15-lipoxygenase
50024414	1	ChEMBL_481087 (CHEMBL1000100)	Inhibition of factor 7a by spectrophotometric assay
50024414	2	ChEMBL_481088 (CHEMBL1000101)	Inhibition of thrombin by spectrophotometric assay
50015136	2	ChEMBL_305474 (CHEMBL831083)	Concentration required to inhibit quorum sensor of Staphylococcus aureus
50015136	1	ChEMBL_305976 (CHEMBL832141)	Concentration required to antagonise accessory gene regulator C4 of Staphylococcus aureus
50015136	5	ChEMBL_305973 (CHEMBL832959)	Antagonistic concentration for accessory gene regulator C1 of Staphylococcus aureus
50015136	4	ChEMBL_305974 (CHEMBL832960)	Concentration required to antagonise accessory gene regulator C2 of Staphylococcus aureus
50015136	3	ChEMBL_305975 (CHEMBL832961)	Concentration required to antagonise accessory gene regulator C3 of Staphylococcus aureus
50015136	7	ChEMBL_304175 (CHEMBL829171)	Effective concentration to antagonise accessory gene regulator C2 of Staphylococcus aureus
50015136	9	ChEMBL_304243 (CHEMBL841798)	Effective concentration to antagonise accessory gene regulator C1 of Staphylococcus aureus; range = 9-11 uM
50015136	8	ChEMBL_304176 (CHEMBL829172)	Effective concentration to antagonise accessory gene regulator C3 of Staphylococcus aureus
50015136	6	ChEMBL_304177 (CHEMBL829173)	Effective concentration to antagonise accessory gene regulator C4 of Staphylococcus aureus
50015137	1	ChEMBL_302842 (CHEMBL827887)	Binding affinity for Bradykinin receptor B1 expressed in HEK293 cells
50015137	3	ChEMBL_305717 (CHEMBL829390)	Inhibition of Bradykinin receptor B1 expressed in HEK293 cells
50015137	2	ChEMBL_302814 (CHEMBL839504)	Binding affinity for Bradykinin receptor B2 expressed in COS7 cells
50015138	1	ChEMBL_303570 (CHEMBL828970)	Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from glutamate 5 receptor of rat cortical membranes
50015138	2	ChEMBL_312509 (CHEMBL833257)	Inhibitory concentration towards human glutamate receptor 5 in calcium flux assay
50015141	1	ChEBML_305865	Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes
50015141	12	ChEBML_306314	Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells
50045226	3	ChEMBL_1460103 (CHEMBL3369088)	Inhibition of androgen receptor binding function 3 in human enzalutamide-resistant MR49F cells assessed as reduction in PSA expression after 3 days by prostate surface antigen assay
50045227	1	ChEMBL_1446866 (CHEMBL3371937)	Inhibition of bovine brain tubulin polymerization by turbidimetry
50015141	6	ChEBML_305234	Inhibition of dopamine D4 receptor
50015141	5	ChEBML_305233	Inhibition of dopamine D3 receptor
50045228	1	ChEMBL_1448648 (CHEMBL3371413)	Inhibition of human Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis
50015142	16	ChEBML_306182	Inhibition of [3H]5-HT re-uptake in rat synaptosomes
50015142	15	ChEBML_305866	Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes
50015142	2	ChEBML_305256	Inhibition of rat hydroxytryptamine 2A receptor
50015142	5	ChEBML_305257	Inhibition of rat hydroxytryptamine 2C receptor
50015142	17	ChEBML_306315	Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed in CHO cells
50046803	11	ChEMBL_1526218 (CHEMBL3636903)	Inhibition of c-KIT (unknown origin)
50015142	7	ChEBML_305230	Inhibition of rat hydroxytryptamine 4 receptor
50015142	11	ChEBML_305086	Inhibition of rat dopamine D4 receptor
50015142	1	ChEBML_305255	Inhibition of rat hydroxytryptamine 1D receptor
50015142	6	ChEBML_305232	Inhibition of rat hydroxytryptamine 7 receptor
50015142	3	ChEBML_305254	Inhibition of rat hydroxytryptamine 1B receptor
50015142	13	ChEBML_305085	Inhibition of rat dopamine D3 receptor
50015142	4	ChEBML_305231	Inhibition of rat hydroxytryptamine 6 receptor
50015145	1	ChEMBL_306747 (CHEMBL830892)	Inhibition of [125I]- Ovine CRF binding to rat frontal cortex corticotropin releasing factor 1 receptor
50015145	2	ChEMBL_306772 (CHEMBL831869)	Inhibition of [125I]- sauvagine binding to corticotropin releasing factor receptor 2 of porcine choroid plexus
50015146	2	ChEMBL_306163 (CHEMBL831529)	Inhibition of [14C]Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers
50015146	1	ChEMBL_303277 (CHEMBL876384)	Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar
50045228	2	ChEMBL_1448649 (CHEMBL3371414)	Inhibition of rat Nav1.7 expressed in HEK-293 cells at -130 to -110 mV holding potential by whole-cell voltage clamp analysis
50045229	1	ChEMBL_1448673 (CHEMBL3372031)	Inhibition of recombinant Grp94 (unknown origin) assessed as tracer bound after 24 hrs by fluorescence polarization assay
50045230	1	ChEMBL_1448692 (CHEMBL3372050)	Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay
50045230	2	ChEMBL_1448691 (CHEMBL3372049)	Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50045230	3	ChEMBL_1448690 (CHEMBL3372048)	Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50015148	1	ChEMBL_302129 (CHEMBL841753)	Binding affinity towards tubulin
50015149	1	ChEMBL_303525 (CHEMBL839639)	Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor
50015149	2	ChEMBL_306363 (CHEMBL828240)	Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor
50015151	1	ChEMBL_303103 (CHEMBL829613)	Inhibitory activity against human Tryptase beta 2 expressed in yeast cells
50015152	2	ChEMBL_303573 (CHEMBL828973)	Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]ZM-241385 as radioligand
50015152	1	ChEMBL_303558 (CHEMBL828958)	Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]DPCPX as radioligand
50015153	2	ChEMBL_303227 (CHEMBL827192)	Binding affinity against Adenosine A2a receptor determined using [3H]ZM-241385 as radioligand
50015153	1	ChEMBL_303559 (CHEMBL828959)	Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]DPCPX as radioligand
50015154	1	ChEMBL_310169 (CHEMBL824825)	Agonistic activity against human Melanocortin 4 receptor
50015154	3	ChEMBL_310167 (CHEMBL824823)	Agonistic activity against human Melanocortin 1 receptor
50045230	4	ChEMBL_1448693 (CHEMBL3372051)	Inhibition of recombinant human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration assay
50045231	1	ChEMBL_1448699 (CHEMBL3372612)	Inhibition of phosphorylation of human recombinant Flag-tagged IKKbeta expressed in Sf21 cells after 1 hr by Kinase-Glo luminescent kinase assay
50045232	1	ChEMBL_1450358 (CHEMBL3378195)	Inhibition of SETD8 (unknown origin)
50045232	2	ChEMBL_1450359 (CHEMBL3378196)	Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scintillation proximity assay
50045232	3	ChEMBL_1450380 (CHEMBL3378784)	Inhibition of methyltransferase activity of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli assessed as decrease in methylation of fluorescein labeled TW21 peptide incubated for 10 mins by microfluidic capillary electrophoresis method
50045232	4	ChEMBL_1450360 (CHEMBL3378197)	Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by ITC assay
50045232	5	ChEMBL_1450361 (CHEMBL3378198)	Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by SPR assay
50045232	6	ChEMBL_1450364 (CHEMBL3378201)	Displacement of FITC-labeled H4K20me (1-24) from SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by fluorescence polarization assay
50045232	7	ChEMBL_1450365 (CHEMBL3378202)	Inhibition of G9a (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	8	ChEMBL_1450366 (CHEMBL3378203)	Inhibition of SETDB1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	9	ChEMBL_1450367 (CHEMBL3378204)	Inhibition of GLP (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	10	ChEMBL_1450368 (CHEMBL3378205)	Inhibition of SUV39H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	11	ChEMBL_1450369 (CHEMBL3378206)	Inhibition of SETD7 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	12	ChEMBL_1450370 (CHEMBL3378207)	Inhibition of PRMT3 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	13	ChEMBL_1450371 (CHEMBL3378208)	Inhibition of PRMT5 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	14	ChEMBL_1450372 (CHEMBL3378209)	Inhibition of PRMT1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	15	ChEMBL_1450373 (CHEMBL3378210)	Inhibition of SUV420H1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	16	ChEMBL_1450374 (CHEMBL3378211)	Inhibition of SUV420H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	17	ChEMBL_1450375 (CHEMBL3378779)	Inhibition of SMYD2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50045232	18	ChEMBL_1450376 (CHEMBL3378780)	Inhibition of DNMT1 (unknown origin) assessed as using dsDNA substrate by radioactive assay
50045232	19	ChEMBL_1450377 (CHEMBL3378781)	Inhibition of MLL1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by radioactive assay
50015156	3	ChEMBL_303537 (CHEMBL839650)	Ability to displace [3H]spiperone from human Dopamine receptor D2S stably transfected in GH4C1 (rat pituitary) cells
50045232	20	ChEMBL_1450378 (CHEMBL3378782)	Inhibition of DOT1L (unknown origin) by filter-based assay
50045233	1	ChEMBL_1451197 (CHEMBL3362388)	Displacement of [3H]19 from human mGlu2 receptor expressed in CHO cells
50045233	2	ChEMBL_1450381 (CHEMBL3378785)	Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect incubated for 30 mins prior to [35S]GTPgamma addition measured after 30 mins
50015156	1	ChEMBL_313054 (CHEMBL835745)	Inhibitory concentration required to reverse the dopamine inhibition of forskolin-stimulated adenyl cyclase activity in CHO cells stably expressing hD4 receptor
50045234	1	ChEMBL_1452137 (CHEMBL3365083)	Antagonist activity at formyl peptide receptor in human HL60 cells assessed as inhibition of fMLP-induced calcium mobilization incubated for 5 mins prior to fMLP challenge by Fura-2 method
50045234	2	ChEMBL_1452136 (CHEMBL3365082)	Antagonist activity at formyl peptide receptor in human HL60 cells assessed as inhibition of intracellular calcium mobilization incubated for 5 mins prior to fMLP challenge by Fura-2 method
50045235	1	ChEMBL_1452145 (CHEMBL3365091)	Antagonist activity against human ghrelin receptor by FLIPR assay
50045235	2	ChEMBL_1452141 (CHEMBL3365087)	Binding affinity to human ghrelin receptor by receptor binding assay
50045236	1	ChEMBL_1452152 (CHEMBL3365098)	Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 5 mM GSH by HPLC
50045236	2	ChEMBL_1452148 (CHEMBL3365094)	Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC
50045236	3	ChEMBL_1452147 (CHEMBL3365093)	Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC
50045236	4	ChEMBL_1452149 (CHEMBL3365095)	Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay
50045236	5	ChEMBL_1452150 (CHEMBL3365096)	Inhibition of mouse TDO expressed in mouse P815B cells using L-tryptophan substrate incubated for 24 hrs by HPLC based cellular assay
50015160	1	ChEMBL_306777 (CHEMBL831532)	In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells with 45% human plasma
50015160	3	ChEMBL_306481 (CHEMBL874567)	Inhibition of Platelet derived growth factor receptor beta autophosphorylation in CHO cells
50015160	5	ChEMBL_306667 (CHEMBL832268)	In vitro inhibition of Platelet derived growth factor receptor beta autophosphorylation in MG-63 cells without plasma
50045237	1	ChEMBL_1452155 (CHEMBL3365101)	Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 mins
50045237	2	ChEMBL_1453015 (CHEMBL3362097)	Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 mins by HPLC analysis
50015161	1	ChEMBL_306739 (CHEMBL832326)	Concentration required to inhibit binding of [125I]MCH radioligand to human melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes
50015162	1	ChEMBL_306737 (CHEMBL832324)	Concentration required to inhibit binding of [125I]-MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes
50015163	1	ChEMBL_306738 (CHEMBL832325)	Concentration required to inhibit binding of [125I]MCH radioligand to human Melanin-concentrating hormone receptor 1 in IMR-32 I3.4.2 cell membranes
50015164	1	ChEMBL_303670 (CHEMBL830431)	Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin E receptor EP4
50015164	8	ChEMBL_303623 (CHEMBL828834)	Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin D2 receptor
50015164	7	ChEMBL_303622 (CHEMBL828877)	Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cells stably expressing human Prostaglandin D2 receptor
50015164	6	ChEMBL_313023 (CHEMBL874217)	Effect on the increase in cAMP formation induced by PGD-2 in the presence of bovine serum albumin in CHO cells expressing human Prostaglandin D2 receptor
50015164	4	ChEMBL_313024 (CHEMBL834967)	Effect on the increase in cAMP formation induced by PGD-2 in the presence of bovine serum albumin in CHO cells expressing mouse Prostaglandin D2 receptor
50015164	3	ChEMBL_303668 (CHEMBL830429)	Ability to inhibit the binding of [3H]-PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin E receptor EP2
50015164	5	ChEMBL_303669 (CHEMBL830430)	Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin E receptor EP3
50015164	2	ChEMBL_303667 (CHEMBL830428)	Ability to inhibit the binding of [3H]PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin E receptor EP1
50015165	3	ChEMBL_306256 (CHEMBL828389)	Inhibition of 10 uM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay
50015165	2	ChEMBL_306183 (CHEMBL830977)	Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin B in fluorescence assay
50015165	4	ChEMBL_306154 (CHEMBL832342)	Inhibition of 5 uM Cbz-Phe-Arg-AMC human cathepsin L in fluorescence assay
50015165	1	ChEMBL_304743 (CHEMBL829342)	Inhibition of human cathepsin K
50015165	5	ChEMBL_304743 (CHEMBL829342)	Inhibition of human cathepsin K
50045238	1	ChEMBL_1453045 (CHEMBL3362127)	Inhibition of CYP1A2 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate
50045238	2	ChEMBL_1453046 (CHEMBL3362128)	Inhibition of CYP2C9 (unknown origin) using Vivid OOMR substrate
50045238	3	ChEMBL_1453047 (CHEMBL3362129)	Inhibition of CYP2D6 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate
50045238	4	ChEMBL_1453048 (CHEMBL3362130)	Inhibition of CYP2C19 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate
50015168	1	ChEMBL_305583 (CHEMBL828031)	In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 2
50015168	2	ChEMBL_305582 (CHEMBL828030)	In vitro inhibitory concentration against ovine Prostaglandin G/H synthase 1
50015169	2	ChEMBL_304836 (CHEMBL827924)	Concentration required for 50% inhibition of Xeroderma pigmentosum G
50015169	1	ChEMBL_304758 (CHEMBL829355)	Concentration required for 50% inhibition of Flap endonuclease-1
50015171	2	ChEMBL_305919 (CHEMBL832634)	Binding affinity for human Estrogen receptor beta
50015171	1	ChEMBL_305946 (CHEMBL832786)	Binding affinity for human Estrogen receptor alpha
50045238	5	ChEMBL_1453049 (CHEMBL3362131)	Inhibition of CYP3A4 (unknown origin) using Vivid OOMR substrate
50045238	6	ChEMBL_1453050 (CHEMBL3362132)	Inhibition of human ERG channel by hERG Tracer Red based fluorescent assay
50015173	1	ChEMBL_302308 (CHEMBL874107)	Inhibitory activity against matrix metalloprotease-1
50045238	7	ChEMBL_1453028 (CHEMBL3362110)	Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay
50015173	2	ChEMBL_302309 (CHEMBL827068)	Inhibitory activity against matrix metalloprotease-2
50045238	8	ChEMBL_1453017 (CHEMBL3362099)	Inhibition of Aurora A (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay
50045238	9	ChEMBL_1453020 (CHEMBL3362102)	Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay
50015173	5	ChEMBL_302322 (CHEMBL828909)	Inhibitory activity against matrix metalloprotease-12
50015173	3	ChEMBL_302865 (CHEMBL828780)	Inhibitory activity against matrix metalloprotease-1; No activity upto solubility limit
50015174	1	ChEMBL_305440 (CHEMBL830116)	Inhibition of human Mitogen-activated protein kinase p38 alpha
50045238	10	ChEMBL_1453021 (CHEMBL3362103)	Inhibition of Aurora C (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay
50045238	11	ChEMBL_1453023 (CHEMBL3362105)	Inhibition of PDGFRalpha (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay
50045238	12	ChEMBL_1453025 (CHEMBL3362107)	Inhibition of PDGFRbeta (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay
50045238	13	ChEMBL_1453019 (CHEMBL3362101)	Inhibition of VEGFR2 (unknown origin) using poly[Glu:Tyr] substrate by radioisotope-based P81 filter-binding assay
50045238	14	ChEMBL_1453030 (CHEMBL3362112)	Inhibition of c-Met (unknown origin) using KKKSPGEYVNIEFG substrate by radioisotope-based P81 filter-binding assay
50045239	1	ChEMBL_1454837 (CHEMBL3363836)	Inhibition of human CK2alpha using RRRDDDSDDD peptide substrate by P81 filter-binding assay
50045239	2	ChEMBL_1455649 (CHEMBL3365678)	Binding affinity to CK2alpha (unknown origin)
50045240	1	ChEMBL_1455651 (CHEMBL3365680)	Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry
50015176	1	ChEMBL_303704 (CHEMBL829039)	Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]GnRH as radioligand
50045240	2	ChEMBL_1455653 (CHEMBL3365682)	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis
50045240	3	ChEMBL_1455650 (CHEMBL3365679)	Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry
50015182	9	ChEMBL_302381 (CHEMBL830349)	Binding affinity towards human Chymotrypsinogen
50015182	4	ChEMBL_302336 (CHEMBL828921)	Binding affinity towards human cathepsin L
50015182	2	ChEMBL_302335 (CHEMBL828920)	Binding affinity towards human cathepsin B
50015182	1	ChEMBL_302298 (CHEMBL827059)	Binding affinity towards human plasmin
50015182	7	ChEMBL_302312 (CHEMBL828901)	Binding affinity towards human thrombin
50045241	1	ChEMBL_1455655 (CHEMBL3365684)	Inhibition of Staphylococcus aureus FabI-mediated reduction of enoyl-ACP preincubated for 30 mins measured after 2 hrs by spectrophotometry
50045242	1	ChEMBL_1455687 (CHEMBL3366032)	Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay
50045242	2	ChEMBL_1455678 (CHEMBL3366023)	Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay
50045242	3	ChEMBL_1455677 (CHEMBL3366022)	Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method
50045242	4	ChEMBL_1455679 (CHEMBL3366024)	Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay
50045242	5	ChEMBL_1455680 (CHEMBL3366025)	Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay
50015192	6	ChEMBL_303254 (CHEMBL826380)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor
50045243	1	ChEMBL_1456605 (CHEMBL3369987)	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay
50045243	2	ChEMBL_1456606 (CHEMBL3369988)	Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay
50015192	2	ChEMBL_303255 (CHEMBL826381)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor
50015192	7	ChEMBL_303252 (CHEMBL826378)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor
50015192	3	ChEMBL_303687 (CHEMBL829732)	Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor at 10 uM
50045243	3	ChEMBL_1456602 (CHEMBL3369984)	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay
50015196	4	ChEMBL_305929 (CHEMBL833476)	In vitro inhibitory concentration against intestinal fatty acid binding protein(I-FABP)
50015196	1	ChEMBL_306095 (CHEMBL830870)	In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)
50015196	3	ChEMBL_305928 (CHEMBL833475)	In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)
50015196	2	ChEMBL_305906 (CHEMBL832621)	In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)
50015197	2	ChEMBL_306241 (CHEMBL830338)	In vitro inhibitory concentration against H-FABP (human-heart and muscle fatty acid binding protein)
50015197	1	ChEMBL_305926 (CHEMBL833473)	In vitro inhibitory concentration against A-FABP (Adipocyte fatty acid binding protein)
50015198	2	ChEMBL_302675 (CHEMBL839438)	inhibition of Matrix metalloprotease-2 (MMP-2)
50015198	3	ChEMBL_305667 (CHEMBL827936)	Inhibition of porcine Tumor necrosis factor- alpha converting enzyme (TACE, ADAM17)
50015198	5	ChEMBL_302721 (CHEMBL839592)	Inhibition of Matrix metalloprotease-13 (MMP-13)
50015198	1	ChEMBL_302674 (CHEMBL839437)	Inhibition of Matrix metalloprotease-1 (MMP-1)
50015198	4	ChEMBL_312057 (CHEMBL835217)	Effect on TNF-Alpha release in LPS-stimulated human whole blood assay
50045243	4	ChEMBL_1456603 (CHEMBL3369985)	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by MS endpoint assay
50045243	5	ChEMBL_1456604 (CHEMBL3369986)	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by SPR assay in presence of +NADH
50015199	2	ChEMBL_306337 (CHEMBL828157)	Inhibitory activity against human- serotonin reuptake transmitter using [3H]-citalopram as a radioligand
50045243	6	ChEMBL_1456620 (CHEMBL3370220)	Inhibition of CYP3A4 (unknown origin)
50045243	7	ChEMBL_1456621 (CHEMBL3370221)	Inhibition of CYP2D6 (unknown origin)
50045243	8	ChEMBL_1456622 (CHEMBL3370222)	Inhibition of CYP2C9 (unknown origin)
50045243	9	ChEMBL_1456623 (CHEMBL3370223)	Inhibition of CYP1A2 (unknown origin)
50015204	1	ChEMBL_304139 (CHEMBL840256)	Effective concentration for human Oxytocin receptor
50015204	2	ChEMBL_304151 (CHEMBL828131)	Effective concentration for human Vasopressin V2 receptor
50015205	1	ChEMBL_305367 (CHEMBL832883)	Inhibitory concentration against human cysteine protease cathepsin S
50046803	12	ChEMBL_1526217 (CHEMBL3636902)	Inhibition of VEGFR (unknown origin)
50046803	13	ChEMBL_1526216 (CHEMBL3636901)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50046803	14	ChEMBL_1526214 (CHEMBL3636899)	Inhibition of B-RAF V600E mutant in human SK-MEL-28 cells assessed as phosphorylation of ERK
50045243	10	ChEMBL_1456624 (CHEMBL3370224)	Inhibition of human recombinant carboxy-terminal His-tagged MDH-1
50045243	11	ChEMBL_1456625 (CHEMBL3370225)	Inhibition of human recombinant carboxy-terminal His-tagged MDH-2
50045244	1	ChEMBL_1456631 (CHEMBL3370231)	Inhibition of DAT (unknown origin)
50045244	2	ChEMBL_1456629 (CHEMBL3370229)	Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay
50015214	1	ChEMBL_304821 (CHEMBL827910)	In vitro inhibitory activity against ovine cyclooxygenase-1 (COX-1)
50015215	2	ChEMBL_306197 (CHEMBL830991)	In vitro inhibitory concentration against Prostaglandin G/H synthase 2 in human whole blood assay
50015219	2	ChEMBL_303553 (CHEMBL828953)	Inhibitory effect against Escherichia coli peptide deformylase (PDF) by DPPI assay
50015219	1	ChEMBL_303545 (CHEMBL839750)	Inhibitory effect against Escherichia coli peptide deformylase (PDF) by AAP assay
50015223	3	ChEMBL_303330 (CHEMBL840055)	Inhibition constant against DNA polymerase alpha competitively on DNA template
50015223	2	ChEMBL_306234 (CHEMBL830331)	Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units
50015223	4	ChEMBL_306178 (CHEMBL830972)	Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units
50015223	5	ChEMBL_303409 (CHEMBL840072)	Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate
50045245	1	ChEMBL_1456648 (CHEMBL3370248)	Inhibition of recombinant rat FAAH preincubated for 3 hrs
50045245	2	ChEMBL_1456649 (CHEMBL3370249)	Irreversible inhibition of recombinant rat FAAH preincubated for 3 hrs
50045246	1	ChEMBL_1456651 (CHEMBL3370251)	Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay
50045246	2	ChEMBL_1456653 (CHEMBL3370253)	Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay
50045246	3	ChEMBL_1456657 (CHEMBL3370257)	Agonist activity at human GABAAalpha2beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay
50045246	4	ChEMBL_1456659 (CHEMBL3370259)	Agonist activity at human GABAAalpha3beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay
50045247	1	ChEMBL_1457552 (CHEMBL3368170)	Inhibition of DNase 1 (unknown origin)
50045247	2	ChEMBL_1457551 (CHEMBL3368169)	Inhibition of DNase gamma (unknown origin) transfected in HeLa S3 cells
50045247	3	ChEMBL_1457550 (CHEMBL3368168)	Inhibition of DNase 1 (unknown origin) using (FAM)-labeled dsDNA as substrate
50045248	1	ChEMBL_1457555 (CHEMBL3368173)	Inhibition of HIV-1 protease using DABCYL-Abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 15 mins before substrate addition measured over 15 mins by fluorometric assay
50045249	1	ChEMBL_1457561 (CHEMBL3368179)	Inhibition of human recombinant PI3Kgamma assessed as PIP3 production by AlphaScreen assay
50045249	2	ChEMBL_1457562 (CHEMBL3368180)	Inhibition of human recombinant PI3Kdelta assessed as PIP3 production by AlphaScreen assay
50045249	3	ChEMBL_1457556 (CHEMBL3368174)	Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay
50045249	4	ChEMBL_1457557 (CHEMBL3368175)	Inhibition of human recombinant PI3Kalpha assessed as PIP3 production by AlphaScreen assay
50015228	3	ChEMBL_310170 (CHEMBL824826)	Reduced farnesylation in H-Ras NIH3T3 cells
50015228	2	ChEMBL_306501 (CHEMBL828106)	Inhibition of [3H]FPP incorporation into recombinant Ras CVIM by human Farnesyltransferase
50015228	1	ChEMBL_306742 (CHEMBL832329)	Inhibition of [3H]GGPP incorporation into C-terminus of K-Ras by human Geranylgeranyl transferase type I
50015230	1	ChEMBL_312764 (CHEMBL833176)	In vitro inhibitory concentration against human Microsomal triglyceride transfer protein
50015232	9	ChEMBL_306822 (CHEMBL831013)	Binding affinity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using [125I]MCH as radioligand
50015232	5	ChEMBL_306755 (CHEMBL832648)	Antagonistic activity against human Melanin-concentrating hormone receptor 2 stably transfected CHO cells was determined using IP3 assay
50015232	8	ChEMBL_306881 (CHEMBL828687)	Binding affinity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using scintillation proximity assay (SPA)
50015232	1	ChEMBL_306823 (CHEMBL831014)	Binding affinity against human Melanin-concentrating hormone receptor 2 stably transfected CHO cells was determined using [125I]MCH as radioligand
50015232	6	ChEMBL_306754 (CHEMBL832647)	Antagonistic activity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using IP3 assay
50045250	1	ChEMBL_1458445 (CHEMBL3370100)	Inhibition of HDAC11 (unknown origin)
50045250	2	ChEMBL_1458444 (CHEMBL3370099)	Inhibition of HDAC10 (unknown origin)
50045250	3	ChEMBL_1458443 (CHEMBL3370098)	Inhibition of HDAC6 (unknown origin)
50015236	4	ChEMBL_310597 (CHEMBL834253)	Agonist activity was calculated in calcium flux assay using HEK293 cells co-transfected with human Dopamine receptor D4.4 and Galphaqo5
50015236	5	ChEMBL_303139 (CHEMBL829067)	In vitro ability to inhibit [3H]spiperone binding to human Dopamine receptor D4.4 allele
50015236	1	ChEMBL_302983 (CHEMBL828832)	In vitro ability to inhibit [3H]spiperone binding to human Dopamine receptor D4.4
50015236	3	ChEMBL_302228 (CHEMBL827001)	In vitro ability to inhibit [3H]6b binding to human Dopamine receptor D4.4
50015236	2	ChEMBL_302872 (CHEMBL828786)	In vitro ability to inhibit [3H]6b binding to human Dopamine receptor D4.4
50045250	4	ChEMBL_1458442 (CHEMBL3370097)	Inhibition of HDAC8 (unknown origin)
50045250	5	ChEMBL_1458441 (CHEMBL3370096)	Inhibition of HDAC3 (unknown origin)
50045250	6	ChEMBL_1458440 (CHEMBL3370095)	Inhibition of HDAC2 (unknown origin)
50045250	7	ChEMBL_1458439 (CHEMBL3370094)	Inhibition of HDAC1 (unknown origin)
50045251	1	ChEMBL_1458454 (CHEMBL3370340)	Inhibition of rat testis GST-tagged PARG catalytic activity after 30 mins using [32P]poly(ADP-ribose) by radioassay
50045252	1	ChEMBL_1458455 (CHEMBL3370341)	Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% human serum
50045253	1	ChEMBL_1458470 (CHEMBL3370356)	Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay
50015239	1	ChEMBL_305344 (CHEMBL832724)	Inhibitory concentration against Paramecium tetraurelia cathepsin L
50015239	5	ChEMBL_302543 (CHEMBL827394)	Tested for inhibitory effect on human liver cathepsin B
50015239	3	ChEMBL_302746 (CHEMBL852353)	Tested for inhibitory effect on Paramecium tetraurelia cathepsin L
50015239	2	ChEMBL_302544 (CHEMBL827395)	Tested for inhibitory effect on human liver cathepsin L
50015239	4	ChEMBL_304970 (CHEMBL829303)	Inhibitory concentration against human liver cathepsin B
50015239	6	ChEMBL_304971 (CHEMBL829304)	Inhibitory concentration against human liver cathepsin L
50015241	2	ChEMBL_308699 (CHEMBL834934)	In vitro inhibition of Na-dependent [14C]AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 1
50015241	1	ChEMBL_308700 (CHEMBL834935)	In vitro inhibition of Na-dependent [14C]AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2
50015246	1	ChEMBL_304886 (CHEMBL829261)	Inhibition of human Potassium channel HERG
50015246	3	ChEMBL_305312 (CHEMBL831703)	Inhibition of human recombinant Dipeptidylpeptidase IV
50015246	8	ChEMBL_304595 (CHEMBL828485)	Inhibition of prolidase
50015246	7	ChEMBL_305046 (CHEMBL831684)	Inhibition of Quiescent cell prolyl dipeptidase
50015246	9	ChEMBL_304775 (CHEMBL877316)	Inhibition of Dipeptidylpeptidase IX
50015246	4	ChEMBL_304819 (CHEMBL827908)	Inhibition of Dipeptidylpeptidase VIII
50015246	6	ChEMBL_304727 (CHEMBL829328)	Inhibition of prolyl endopeptidase
50045253	2	ChEMBL_1458473 (CHEMBL3370359)	Inhibition of Aurora A (unknown origin) expressed in Escherichia coli by ZLYTETM assay
50015247	4	ChEMBL_303582 (CHEMBL828981)	Inhibition of 2-[125I]iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1A
50015247	3	ChEMBL_303583 (CHEMBL828124)	Inhibition of 2-[125I]iodomelatonin binding to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B
50015247	2	ChEMBL_310711 (CHEMBL838056)	Agonist activity towards human Melatonin receptor type 1B was determined by its ability to inhibit forskolin stimulated cAMP accumulation
50015247	1	ChEMBL_310710 (CHEMBL838055)	Agonist activity towards human Melatonin receptor type 1A was determined by its ability to inhibit forskolin stimulated cAMP accumulation
50046804	1	ChEMBL_1526439 (CHEMBL3637708)	Inhibition of GST-tagged PTP1B (unknown origin) by plate reader analysis using DiFMUP as substrate
50045254	1	ChEMBL_1458484 (CHEMBL3370370)	Inhibition of Aurora A (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs
50045254	2	ChEMBL_1458485 (CHEMBL3370371)	Inhibition of Aurora B (unknown origin) using [33P]-ATP and 10 uM ATP after 2 hrs
50045255	1	ChEMBL_1459293 (CHEMBL3367523)	Inhibition of PLK1 (unknown origin) by FRET-based homogenous assay
50045255	2	ChEMBL_1459294 (CHEMBL3367524)	Inhibition of PLK2 (unknown origin) by FRET-based homogenous assay
50045255	3	ChEMBL_1459295 (CHEMBL3367525)	Inhibition of PLK3 (unknown origin) by FRET-based homogenous assay
50045255	4	ChEMBL_1459296 (CHEMBL3367526)	Inhibition of GST-tagged human PLK4 (1-391 residues) phosphorylation by ELISA
50045255	5	ChEMBL_1459297 (CHEMBL3367527)	Inhibition of Aurora A (unknown origin) by FRET-based homogenous assay
50045255	6	ChEMBL_1459298 (CHEMBL3367528)	Inhibition of Aurora B (unknown origin) by FRET-based homogenous assay
50045255	7	ChEMBL_1459300 (CHEMBL3367530)	Inhibition of CHK2 (unknown origin) by FRET-based homogenous assay
50045255	8	ChEMBL_1459302 (CHEMBL3367711)	Inhibition of CYP3A4 in supersomes (unknown origin) using Dibenzylfluorescein as substrate after 10 mins
50045255	9	ChEMBL_1459303 (CHEMBL3367712)	Inhibition of CYP3A4 in supersomes (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins
50045255	10	ChEMBL_1459301 (CHEMBL3367710)	Inhibition of CYP2C19 in supersomes (unknown origin) using MFC as substrate after 30 mins
50045255	11	ChEMBL_1458487 (CHEMBL3370373)	Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
50045255	12	ChEMBL_1458488 (CHEMBL3370374)	Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
50015255	3	ChEMBL_305576 (CHEMBL828024)	Inhibition against U2OS cells expressing rat Glucocorticoid receptor
50015255	1	ChEMBL_310136 (CHEMBL838116)	Effective concentration against MMTV in transactivation assay in U2OS cells expressing rat GR
50015255	4	ChEMBL_305277 (CHEMBL832826)	Binding affinity for recombinant human glucocorticoid receptor
50015255	5	ChEMBL_310412 (CHEMBL834039)	Repression of AP1-luciferase reporter activity in TPA-stimulated U2OS cells expressing rat glucocorticoid receptor
50015255	2	ChEMBL_310419 (CHEMBL834045)	Repression of NF-kappaB-luciferase reporter activity in TPA stimulated U2OS cells expressing rat glucocorticoid receptor
50015256	2	ChEMBL_302175 (CHEMBL830078)	Displacement of [3H]glibenclamide from COS-1 cells expressing Sulfonylurea receptor 1 (SUR-1)
50015258	1	ChEMBL_306734 (CHEMBL832321)	In vitro inhibition of [1,2,6,7-3H]androstenedione binding to Aromatase of human placental microsomes
50015259	1	ChEMBL_305604 (CHEMBL828142)	Inhibitory concentration against human immunodeficiency virus protease in fluorescence assay
50015259	2	ChEMBL_306531 (CHEMBL874568)	Inhibitory concentration against porcine kidney angiotensin converting enzyme cleavage of hippuryl-histidyl-leucine (HHL)
50015260	1	ChEMBL_305574 (CHEMBL828022)	Inhibitory concentration against mouse Growth hormone secretagogue receptor
50015260	3	ChEMBL_312888 (CHEMBL826436)	Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells was determined by FLIPR assay
50015260	6	ChEMBL_306821 (CHEMBL831012)	Ability to displace [125I]ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)
50015260	2	ChEMBL_306726 (CHEMBL831489)	Binding affinity to displace [125I]ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)
50015260	5	ChEMBL_305513 (CHEMBL831114)	Inhibitory concentration against rat Growth hormone secretagogue receptor
50015260	4	ChEMBL_313051 (CHEMBL835742)	Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells
50015261	2	ChEMBL_305995 (CHEMBL832669)	Inhibition of human Biotinylated Fg binding to immobilized Alpha II beta-3
50015261	4	ChEMBL_305375 (CHEMBL832890)	Inhibition of human vitronectin binding to immobilized Alpha v beta-3
50015261	5	ChEMBL_305547 (CHEMBL828566)	Inhibition of human vitronectin binding to immobilized Alpha v beta-3 (N=1)
50015261	3	ChEMBL_306153 (CHEMBL832341)	Inhibition of human Biotinylated Fg binding to immobilized Alpha IIb beta-3 (N=1)
50024447	1	ChEMBL_481288 (CHEMBL998398)	Antagonist activity at human glucagon receptor expressed in BHK21 cells assessed as inhibition of glucagon-induced cAMP elevation by RIA
50024459	1	ChEMBL_481350 (CHEMBL1001050)	Inhibition of lyase activity of rat DNA polymerase beta after 30 mins
50015262	1	ChEMBL_305340 (CHEMBL833560)	Inhibition of Thymidine phosphorylase from Escherichia coli
50015265	2	ChEMBL_303151 (CHEMBL829125)	Binding affinity for opioid receptor like 1 expressed in HEK293 cells 
50015265	1	ChEMBL_303543 (CHEMBL839748)	Binding affinity for recombinant human mu-opioid receptor was determined by using [3H]- diprenophine radioligand
50015266	2	ChEMBL_302824 (CHEMBL839613)	In vitro binding affinity for serotonin transporter 
50015266	1	ChEMBL_303745 (CHEMBL829788)	In vitro binding affinity for human 5-hydroxytryptamine 1A receptor expressed in CHO cells was determined using [3H]8-OH-DPAT radioligand
50015269	4	ChEBML_305435	Inhibitory activity against human recombinant caspase-3
50015269	2	ChEBML_304797	Inhibition concentration required against caspase-7
50015269	5	ChEBML_304799	Inhibition concentration required against caspase-9
50015269	3	ChEBML_304798	Inhibition concentration required against caspase-8
50015270	1	ChEMBL_306437 (CHEMBL829081)	Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay
50045255	13	ChEMBL_1459304 (CHEMBL3367713)	Inhibition of CYP2C9 in supersomes (unknown origin) using MFC as substrate after 30 mins
50045255	14	ChEMBL_1459305 (CHEMBL3367714)	Inhibition of CYP1A2 in supersomes (unknown origin) using CEC as substrate after 30 mins
50045255	15	ChEMBL_1459306 (CHEMBL3367715)	Inhibition of CYP2D6 in supersomes (unknown origin) using AMMC as substrate after 30 mins
50045255	16	ChEMBL_1459311 (CHEMBL3367720)	Inhibition of TTK in human HCT116 cells assessed as phosphorylation of histone H3 at Ser10 residue after 4 hrs by immunoassay
50045256	1	ChEMBL_1460136 (CHEMBL3369121)	Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay
50015274	1	ChEMBL_304322 (CHEMBL829294)	Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay
50015276	1	ChEMBL_312849 (CHEMBL874928)	Inhibition of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
50015276	4	ChEMBL_312816 (CHEMBL824893)	Inhibition of MIP-1beta ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
50015276	3	ChEMBL_312836 (CHEMBL837923)	Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
50015276	2	ChEMBL_312914 (CHEMBL826596)	Inhibition of 50% of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay
50045256	2	ChEMBL_1460137 (CHEMBL3369122)	Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay
50015280	4	ChEMBL_305038 (CHEMBL831676)	Inhibition of Bovine farnesyltransferase (FTase)
50015280	2	ChEMBL_305197 (CHEMBL832784)	Inhibition of Bovine geranylgeranyltransferase (GGT)
50015280	1	ChEMBL_305002 (CHEMBL829438)	Inhibition of Bovine farnesyltransferase (FTase)
50015280	3	ChEMBL_305175 (CHEMBL832764)	Inhibition of Bovine geranylgeranyltransferase (GGT)
50015281	1	ChEMBL_305246 (CHEMBL833504)	Inhibition of bovine Geranylgeranyltransferase
50015281	2	ChEMBL_305040 (CHEMBL831678)	Inhibition of bovine farnesyltransferase
50015282	1	ChEMBL_304143 (CHEMBL840259)	Effective concentration against DNA topoisomerase I
50015283	1	ChEMBL_305841 (CHEMBL829582)	Concentration required to inhibit human mitogen activated protein kinase p38 activity 
50015283	2	ChEMBL_304588 (CHEMBL877126)	Inhibition of protein kinase c-raf
50015284	2	ChEMBL_305835 (CHEMBL874544)	Inhibitory concentration against alpha mitogen activated protein kinase p38 activity
50015284	1	ChEMBL_305999 (CHEMBL832673)	Inhibitory concentration against Epidermal growth factor receptor tyrosine kinase activity
50045256	3	ChEMBL_1460138 (CHEMBL3369123)	Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cell membranes by competitive binding assay
50045256	4	ChEMBL_1460139 (CHEMBL3369124)	Displacement of [3H]spiperone from human D4.4 receptor stably expressed in CHO cell membranes by competitive binding assay
50045256	5	ChEMBL_1460140 (CHEMBL3369125)	Displacement of [3H]SCH23390 from porcine striatal membranes D1 receptor by competitive binding assay
50015287	2	ChEMBL_305948 (CHEMBL832788)	Concentration required to inhibit [125I]MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell
50015287	1	ChEMBL_306328 (CHEMBL828672)	Concentration required to inhibit [125I]MCP-1 (Monocyte Chemoattractant Protein-1) binding to THP-1 cell; not determined
50015288	1	ChEMBL_305170 (CHEMBL832760)	Concentration required to inhibit [125I]MCP-1 binding to Chemokine receptor 2B
50045257	1	ChEMBL_1460143 (CHEMBL3369128)	Inhibition of Chk1 (unknown origin)
50045258	1	ChEMBL_1460146 (CHEMBL3369131)	Inhibition of electric eel AChE
50045258	2	ChEMBL_1460145 (CHEMBL3369130)	Inhibition of human AChE
50045258	3	ChEMBL_1460144 (CHEMBL3369129)	Inhibition of human H3 receptor
50045258	4	ChEMBL_1460148 (CHEMBL3369133)	Inhibition of equine serum BChE
50015292	1	ChEMBL_305402 (CHEMBL833052)	Inhibition of human cyclooxygenase-2 expressed in COS cells
50045259	1	ChEMBL_1460155 (CHEMBL3369380)	Displacement of [3H]nor-BNI from KOR in guinea pig brain membranes
50045259	2	ChEMBL_1460154 (CHEMBL3369379)	Displacement of [3H](Ile5,6)deltorphin-2 from DOR in rat brain membranes
50045259	3	ChEMBL_1460153 (CHEMBL3369378)	Displacement of [3H]DAMGO from MOR in rat brain membranes
50015295	1	ChEMBL_306598 (CHEMBL832945)	Inhibition of [3H]anandamide binding to fatty acid amide hydrolase of rat brain membranes
50015296	6	ChEMBL_302811 (CHEMBL839501)	Binding affinity for delta opioid receptor of rat brain
50015296	2	ChEMBL_302991 (CHEMBL830230)	Binding affinity for kappa opioid receptor of guinea pig cerebellum
50015296	1	ChEMBL_302750 (CHEMBL852357)	Binding affinity for Mu opioid receptor of rat brain
50045260	3	ChEMBL_1446963 (CHEMBL3373720)	Inhibition of human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintillation counting method
50045260	4	ChEMBL_1446962 (CHEMBL3373719)	ATP competitive inhibition of human eEF-2K using 5 uM ATP
50015296	4	ChEMBL_310281 (CHEMBL833112)	Inhibition of rabbit vas deferens contractions
50045261	2	ChEMBL_1446971 (CHEMBL3373728)	Inhibition of PIM1 (unknown origin)
50045262	15	ChEMBL_1447894 (CHEMBL3378641)	Displacement of [125I]SS-14 from mouse SSTR3 expressed in CHO cells by TopCount analyzer
50045262	9	ChEMBL_1447892 (CHEMBL3378639)	Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount analyzer
50015297	3	ChEMBL_306463 (CHEMBL829540)	Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand
50045262	12	ChEMBL_1447890 (CHEMBL3378637)	Inhibition of human ERG by MK-499 displacement binding analysis
50015297	1	ChEMBL_306447 (CHEMBL829091)	Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand
50015297	6	ChEMBL_306421 (CHEMBL828092)	Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli
50015297	4	ChEMBL_306464 (CHEMBL829541)	Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli
50015297	5	ChEMBL_306408 (CHEMBL828749)	Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli
50015299	1	ChEMBL_304938 (CHEMBL826967)	Inhibitory potency against human Cathepsin K
50015300	1	ChEMBL_304939 (CHEMBL826968)	Inhibitory potency against human Cathepsin K
50045197	13	ChEMBL_1454724 (CHEMBL3362643)	Inhibition of human recombinant PKCtheta by TR-FRET assay
50045264	1	ChEMBL_1455573 (CHEMBL3364950)	Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40 mins by Hoechst 33342 staining-based assay
50045264	2	ChEMBL_1455572 (CHEMBL3364949)	Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP compound incubated for 20 mins prior to addition of fluorescein-labeled GK measured after 2 to 4 hrs by AlphaScreen assay
50015303	1	ChEMBL_302128 (CHEMBL841752)	Binding to holo-S100B protein
50045264	3	ChEMBL_1456482 (CHEMBL3369165)	Inhibition of CYP2D6 (unknown origin)
50045264	4	ChEMBL_1456481 (CHEMBL3369164)	Inhibition of CYP3A4 (unknown origin)
50045265	1	ChEMBL_1457426 (CHEMBL3367369)	Inhibition of Eg5 (unknown origin)
50045266	1	ChEMBL_1458316 (CHEMBL3369278)	Inhibition of human GSTA1 activity assessed as conjugation between CDNB and GSH
50045266	2	ChEMBL_1458318 (CHEMBL3369280)	Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph
50045267	1	ChEMBL_1458320 (CHEMBL3369282)	Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry
50045267	2	ChEMBL_1458321 (CHEMBL3369283)	Inhibition of LYP (unknown origin)
50045267	3	ChEMBL_1458322 (CHEMBL3369284)	Inhibition of HePTP (unknown origin)
50045267	4	ChEMBL_1458323 (CHEMBL3369285)	Inhibition of PTPH1 (unknown origin)
50045267	5	ChEMBL_1458324 (CHEMBL3369286)	Inhibition of SHP1 (unknown origin)
50045267	6	ChEMBL_1458325 (CHEMBL3369287)	Inhibition of Ssu72 (unknown origin)
50045267	7	ChEMBL_1458326 (CHEMBL3369288)	Inhibition of PTP1B (unknown origin)
50045267	8	ChEMBL_1458327 (CHEMBL3369289)	Inhibition of LMWPTP (unknown origin)
50045267	9	ChEMBL_1458328 (CHEMBL3369290)	Inhibition of VHZ (unknown origin)
50045267	10	ChEMBL_1458340 (CHEMBL3369533)	Inhibition of PTPalpha (unknown origin)
50045267	11	ChEMBL_1458329 (CHEMBL3369291)	Inhibition of PTPgamma (unknown origin)
50045267	12	ChEMBL_1458330 (CHEMBL3369523)	Inhibition of MKP5 (unknown origin)
50045267	13	ChEMBL_1458331 (CHEMBL3369524)	Inhibition of VHR (unknown origin)
50045267	14	ChEMBL_1458332 (CHEMBL3369525)	Inhibition of PTPmu (unknown origin)
50045267	15	ChEMBL_1458333 (CHEMBL3369526)	Inhibition of STEP (unknown origin)
50045267	16	ChEMBL_1458334 (CHEMBL3369527)	Inhibition of PEZ (unknown origin)
50045267	17	ChEMBL_1458335 (CHEMBL3369528)	Inhibition of PTPsigma (unknown origin)
50045267	18	ChEMBL_1458336 (CHEMBL3369529)	Inhibition of UBLCP1 (unknown origin)
50045267	19	ChEMBL_1458337 (CHEMBL3369530)	Inhibition of laforin (unknown origin)
50045267	20	ChEMBL_1458338 (CHEMBL3369531)	Inhibition of CDC14A (unknown origin)
50045267	21	ChEMBL_1458339 (CHEMBL3369532)	Inhibition of PTPepsilon (unknown origin)
50045279	7	ChEMBL_1459999 (CHEMBL3368319)	Inhibition of wild type c-KIT (unknown origin)
50015308	1	ChEMBL_304841 (CHEMBL827928)	Inhibitory concentration against Coagulation factor X
50015308	2	ChEMBL_304670 (CHEMBL827870)	Concentration required to inhibit thrombin activity by 50%
50045279	9	ChEMBL_1459998 (CHEMBL3368318)	Inhibition of PI3Kalpha (unknown origin)
50045279	8	ChEMBL_1459997 (CHEMBL3368317)	Inhibition of c-KIT D816V mutant (unknown origin)
50045262	13	ChEMBL_1447905 (CHEMBL3378652)	Displacement of [125I]SS-14 from human SSTR4 expressed in CHO cells by TopCount analyzer
50045262	10	ChEMBL_1447891 (CHEMBL3378638)	Inhibition of human ERG by functional patch clamp assay
50045262	14	ChEMBL_1447895 (CHEMBL3378642)	Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis
50045262	16	ChEMBL_1447893 (CHEMBL3378640)	Antagonist activity at human SSTR3 expressed in CHO cells assessed as cAMP level by fluorescence analysis
50045262	8	ChEMBL_1447903 (CHEMBL3378650)	Displacement of [125I]SS-14 from human SSTR1 expressed in CHO cells by TopCount analyzer
50045262	7	ChEMBL_1447904 (CHEMBL3378651)	Displacement of [125I]SS-14 from human SSTR2 expressed in CHO cells by TopCount analyzer
50045262	11	ChEMBL_1447906 (CHEMBL3378653)	Displacement of [125I]SS-14 from human SSTR5 expressed in CHO cells by TopCount analyzer
50045269	1	ChEMBL_1450415 (CHEMBL3379359)	Displacement of [125I]-RTI-55 from recombinant NET (unknown origin) expressed in HEK cells by saturation binding analysis
50045269	2	ChEMBL_1451260 (CHEMBL3362763)	Inhibition of CYP2D6 (unknown origin)
50045269	3	ChEMBL_1450410 (CHEMBL3378814)	Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting
50045269	4	ChEMBL_1450411 (CHEMBL3379355)	Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting
50045269	5	ChEMBL_1450412 (CHEMBL3379356)	Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting
50045269	6	ChEMBL_1450414 (CHEMBL3379358)	Displacement of [125I]-RTI-55 from recombinant DAT (unknown origin) expressed in HEK cells by saturation binding analysis
50015316	1	ChEMBL_303519 (CHEMBL839633)	Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells
50015316	3	ChEMBL_303476 (CHEMBL877452)	Binding affinity for serotonin transporter expressed in LCK PK1 cells
50015316	2	ChEMBL_303446 (CHEMBL839706)	Binding affinity for dopamine transporter expressed in LCK PK1 cells
50045269	7	ChEMBL_1450413 (CHEMBL3379357)	Displacement of [125I]-RTI-55 from recombinant SERT (unknown origin) expressed in HEK cells by saturation binding analysis
50015322	1	ChEMBL_305663 (CHEMBL828714)	Inhibitory concentration required to inhibit Klenow DNA-dependent DNA polymerase
50045269	8	ChEMBL_1450434 (CHEMBL3379378)	Inhibition of human ERG by patch-clamp assay
50045270	1	ChEMBL_1452204 (CHEMBL3365826)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes incubated for 90 mins by beta-counting method
50045270	2	ChEMBL_1452206 (CHEMBL3365828)	Inhibition of human recombinant pepsinogen A expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS substrate by fluorimetric assay
50045270	3	ChEMBL_1452207 (CHEMBL3365829)	Inhibition of human recombinant pepsinogen C expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS substrate by fluorimetric assay
50045270	4	ChEMBL_1452208 (CHEMBL3365830)	Inhibition of human recombinant procathepsin D expressed in SF9 cells using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid substrate by fluorimetric assay
50045270	5	ChEMBL_1452209 (CHEMBL3365831)	Inhibition of human recombinant human procathepsin E expressed in Escherichia coli using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid substrate by fluorimetric assay
50045270	6	ChEMBL_1452210 (CHEMBL3365832)	Inhibition of human recombinant BACE1 expressed in SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R substrate by fluorimetric assay
50045270	7	ChEMBL_1452211 (CHEMBL3365833)	Inhibition of human recombinant BACE2 expressed in SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R substrate by fluorimetric assay
50045270	8	ChEMBL_1452212 (CHEMBL3365834)	Inhibition of CYP3A4 (unknown origin)
50045270	9	ChEMBL_1452213 (CHEMBL3365835)	Inhibition of CYP2C9 (unknown origin)
50045270	10	ChEMBL_1452214 (CHEMBL3365836)	Inhibition of CYP2D6 (unknown origin)
50045270	11	ChEMBL_1452217 (CHEMBL3365839)	Inhibition of Nav1.5 (unknown origin) by patch clamp assay
50045270	12	ChEMBL_1452218 (CHEMBL3365840)	Inhibition of Nav1.2 (unknown origin) by patch clamp assay
50045270	13	ChEMBL_1452194 (CHEMBL3365816)	Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay
50045270	14	ChEMBL_1452195 (CHEMBL3365817)	Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay
50015324	2	ChEMBL_302249 (CHEMBL830265)	Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay
50015324	3	ChEMBL_302254 (CHEMBL829489)	Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay
50015324	1	ChEMBL_308658 (CHEMBL833634)	Dissociation constant for human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay
50015324	4	ChEMBL_302250 (CHEMBL830266)	Dissociation constant for human Lymphocyte function-associated antigen-1 in LFA-1/ICAM-1 binding assay
50045271	1	ChEMBL_1453079 (CHEMBL3362528)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50045271	2	ChEMBL_1453078 (CHEMBL3362527)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50045271	3	ChEMBL_1453080 (CHEMBL3362529)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50045271	4	ChEMBL_1453081 (CHEMBL3362530)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50045272	1	ChEMBL_1453119 (CHEMBL3364417)	Activation of PXR (unknown origin)
50045272	2	ChEMBL_1453118 (CHEMBL3364416)	Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay
50045272	3	ChEMBL_1453121 (CHEMBL3364419)	Inhibition of human recombinant 11beta-HSD-2 expressed in HEK293 EBNA cells assessed as reduction in cortisone formation ESI mass spectroscopy
50045272	4	ChEMBL_1453122 (CHEMBL3364420)	Inhibition of human CYP2C19
50045272	5	ChEMBL_1453123 (CHEMBL3364421)	Inhibition of human CYP1A2
50045272	6	ChEMBL_1453124 (CHEMBL3364422)	Inhibition of human CYP2C8
50045272	7	ChEMBL_1453125 (CHEMBL3364423)	Inhibition of human CYP2C9
50045272	8	ChEMBL_1453126 (CHEMBL3364424)	Inhibition of human CYP2D6
50045272	9	ChEMBL_1453127 (CHEMBL3364425)	Inhibition of human CYP3A3
50045272	10	ChEMBL_1453128 (CHEMBL3364426)	Inhibition of human ERG flux
50045272	11	ChEMBL_1453940 (CHEMBL3366291)	Inhibition of mouse recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay
50045272	12	ChEMBL_1453941 (CHEMBL3366292)	Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 cells
50045272	13	ChEMBL_1453942 (CHEMBL3366293)	Inhibition of 11beta-HSD-1 in mouse 3T3L1 cells
50045273	1	ChEMBL_1453946 (CHEMBL3366297)	Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of calcium mobilization by fluorescence assay
50045274	1	ChEMBL_1453965 (CHEMBL3366659)	Inhibition of CYP1A2 (unknown origin)
50045274	2	ChEMBL_1453966 (CHEMBL3366660)	Inhibition of CYP2C9 (unknown origin)
50045274	3	ChEMBL_1453967 (CHEMBL3366661)	Inhibition of CYP2C19 (unknown origin)
50045274	4	ChEMBL_1453968 (CHEMBL3366662)	Inhibition of CYP2D6 (unknown origin)
50045274	5	ChEMBL_1453969 (CHEMBL3366663)	Inhibition of CYP3A4 (unknown origin)
50045274	6	ChEMBL_1453949 (CHEMBL3366300)	Inhibition of Mycobacterium smegmatis GyrB ATPase activity
50045274	7	ChEMBL_1453951 (CHEMBL3366645)	Inhibition of human ERG by electrophysiology assay
50045275	1	ChEMBL_1453970 (CHEMBL3366664)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50015328	4	ChEMBL_304472 (CHEMBL832688)	Displacement of PRP-1 peptide from human Nck kinase SH3 domain by fluorescence polarization
50015328	3	ChEMBL_304473 (CHEMBL832689)	Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization
50015328	2	ChEMBL_302256 (CHEMBL829490)	Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence polarization
50015328	1	ChEMBL_304474 (CHEMBL832690)	Displacement of PRP-2 peptide from human Hck kinase SH3 domain by fluorescence polarization
50045275	2	ChEMBL_1453971 (CHEMBL3366665)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50045276	1	ChEMBL_1453980 (CHEMBL3366674)	Inhibition of influenza A virus wild type M2 proton channel expressed in Xenopus oocytes by two-electrode voltage clamp analysis
50045277	1	ChEMBL_1453986 (CHEMBL3366680)	Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate
50015331	1	ChEMBL_304634 (CHEMBL828518)	Inhibitory activity against human choline kinase enzyme
50015332	1	ChEMBL_303353 (CHEMBL839668)	Inhibition of [3H]NBTI binding to nucleoside transport protein of human erythrocyte membrane
50015333	1	ChEMBL_302663 (CHEMBL839951)	Binding affinity towards rat 5-HT7 receptor expressed in HEK cells
50015334	1	ChEMBL_302465 (CHEMBL826331)	Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme
50045278	1	ChEMBL_1454886 (CHEMBL3364189)	Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting
50045278	2	ChEMBL_1454845 (CHEMBL3363844)	Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry
50045278	3	ChEMBL_1454846 (CHEMBL3363845)	Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry
50045280	1	ChEMBL_1447029 (CHEMBL3374935)	Inhibition of telomerase isolated form human HeLa cells by TRAP-LIG assay
50045281	1	ChEMBL_1447926 (CHEMBL3379229)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis
50015346	2	ChEMBL_303752 (CHEMBL829795)	Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes
50015346	1	ChEMBL_312889 (CHEMBL826437)	Antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonist
50015347	2	ChEMBL_312890 (CHEMBL826438)	Antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay using glutamate (10 uM) as agonist
50015347	1	ChEMBL_303753 (CHEMBL829796)	Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes
50015348	1	ChEMBL_303754 (CHEMBL829797)	Binding affinity towards Metabotropic glutamate receptor was determined by displacing [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes
50015349	1	ChEMBL_312478 (CHEMBL833227)	In vitro antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay
50015350	1	ChEBML_302753	Binding affinity against mu opioid receptor in mouse hot plate test
50046804	2	ChEMBL_1526440 (CHEMBL3637709)	Inhibition of GST-tagged PTP-sigma (unknown origin) by plate reader analysis using DiFMUP as substrate
50046804	3	ChEMBL_1526577 (CHEMBL3635653)	Competitive inhibition of GST-tagged PTP1B (unknown origin) by plate reader analysis using DiFMUP as substrate
50046805	1	ChEMBL_1526584 (CHEMBL3635803)	Inhibition of wild type EGFR phosphorylation in human A431 cells after 60 mins by mesoscale multiplex assay
50046805	2	ChEMBL_1526604 (CHEMBL3635823)	Competitive binding affinity to human BLK in presence of immobilized ligand
50046805	3	ChEMBL_1526605 (CHEMBL3635824)	Competitive binding affinity to human BTK in presence of immobilized ligand
50046805	4	ChEMBL_1526606 (CHEMBL3635825)	Competitive binding affinity to human wild type EGFR in presence of immobilized ligand
50046805	5	ChEMBL_1526607 (CHEMBL3635826)	Competitive binding affinity to human EGFR T790M mutant in presence of immobilized ligand
50046805	6	ChEMBL_1526608 (CHEMBL3635827)	Competitive binding affinity to human ERBB2 in presence of immobilized ligand
50046805	7	ChEMBL_1526609 (CHEMBL3635828)	Competitive binding affinity to human ERBB4 in presence of immobilized ligand
50046805	8	ChEMBL_1526610 (CHEMBL3635829)	Competitive binding affinity to human GAK in presence of immobilized ligand
50046805	9	ChEMBL_1526611 (CHEMBL3635830)	Competitive binding affinity to human ITK in presence of immobilized ligand
50046805	10	ChEMBL_1526612 (CHEMBL3635831)	Competitive binding affinity to human JAK1 JH2 domain pseudokinase in presence of immobilized ligand
50046805	11	ChEMBL_1526613 (CHEMBL3635832)	Competitive binding affinity to human JAK3 in presence of immobilized ligand
50046805	12	ChEMBL_1526614 (CHEMBL3635833)	Competitive binding affinity to human TTK in presence of immobilized ligand
50046805	13	ChEMBL_1526615 (CHEMBL3635834)	Competitive binding affinity to human TXK in presence of immobilized ligand
50046805	14	ChEMBL_1526623 (CHEMBL3635842)	Binding affinity to wild type EGFR (unknown origin)
50046805	15	ChEMBL_1526624 (CHEMBL3635843)	Binding affinity to EGFR T790M/L858R double mutant (unknown origin)
50046806	1	ChEMBL_1526764 (CHEMBL3636399)	Inhibition of His-tagged KSP motor domain (1 to 369) (unknown origin) assessed as inhibition of microtubule-stimulated KSP ATPase activity preincuabted for 30 mins followed by ATP addition measured after 15 mins by Kinase-Glo assay
50046807	1	ChEMBL_1526933 (CHEMBL3637279)	Agonist activity at human GPR139 receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
50015351	1	ChEMBL_303107 (CHEMBL829617)	Binding affinity against human 5-hydroxytryptamine 6 receptor transfected in HeLa cells
50015351	2	ChEMBL_306436 (CHEMBL828249)	Inhibitory concentration against human 5-hydroxytryptamine 6 receptor transfected in HeLa cells in cAMP assay
50015352	2	ChEMBL_306585 (CHEMBL832932)	Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT (dithiothreitol)
50015352	1	ChEMBL_306571 (CHEMBL832088)	Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT (dithiothreitol)
50045281	2	ChEMBL_1447928 (CHEMBL3379231)	Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis
50045281	3	ChEMBL_1447930 (CHEMBL3379233)	Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis
50045281	4	ChEMBL_1447932 (CHEMBL3379235)	Displacement of [3H]-deltorphine from human delta opioid receptor expressed in CHO-K1 cells by scintillation counting analysis
50045281	5	ChEMBL_1447934 (CHEMBL3379237)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes
50045281	6	ChEMBL_1447940 (CHEMBL3379243)	Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid scintillation counting analysis
50045282	1	ChEMBL_1447957 (CHEMBL3379783)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis
50045282	2	ChEMBL_1447959 (CHEMBL3379785)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells by scintillation counting analysis
50045282	3	ChEMBL_1447963 (CHEMBL3379789)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP level by scintillation counting analysis
50045282	4	ChEMBL_1447961 (CHEMBL3379787)	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting analysis
50045282	5	ChEMBL_1447965 (CHEMBL3379791)	Antagonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CCPA-stimulated cAMP level by scintillation counting analysis
50045282	6	ChEMBL_1447967 (CHEMBL3379793)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP level by scintillation counting analysis
50045283	1	ChEMBL_1448804 (CHEMBL3373860)	Inhibition of VEGFR2 (unknown origin) using ATP/substrate peptide after 1 hr by colorimetric ELISA
50015355	2	ChEMBL_306344 (CHEMBL828163)	Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay
50015355	1	ChEMBL_306160 (CHEMBL832348)	Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay
50015355	3	ChEMBL_306415 (CHEMBL828086)	Concentration required for 50% inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay
50045284	1	ChEMBL_1449672 (CHEMBL3376967)	Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins
50045285	1	ChEMBL_1449716 (CHEMBL3378139)	Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells
50045285	2	ChEMBL_1449717 (CHEMBL3378140)	Agonist activity at adrenergic beta2 receptor in electrically-stimulated Dunkin-Hartley guinea pig tracheal strip assessed as inhibition of contraction
50015364	2	ChEMBL_302919 (CHEMBL830379)	Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells
50015364	1	ChEMBL_304944 (CHEMBL826973)	Inhibition of 5-lipoxygenase activity in human whole blood assay
50045285	3	ChEMBL_1449715 (CHEMBL3378138)	Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay
50045285	4	ChEMBL_1449714 (CHEMBL3378137)	Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay
50015366	2	ChEMBL_306727 (CHEMBL831490)	Binding affinity towards human gonadotropin releasing hormone receptor expressed in CHO cells was determined by using [125I]-buserelin as radioligand
50015366	1	ChEMBL_312951 (CHEMBL874972)	Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expressing GnRH receptor
50045285	5	ChEMBL_1450448 (CHEMBL3379944)	Agonist activity at adrenergic beta2 receptor in human A431 cells assessed as elevation of cAMP level
50045285	6	ChEMBL_1450451 (CHEMBL3379947)	Activity at human D2R expressed in CHO cells by radiolabelled [35S]GTPgammaS assay
50045286	1	ChEMBL_1450475 (CHEMBL3379971)	Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50045286	2	ChEMBL_1450483 (CHEMBL3379979)	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by fluorescence assay
50045286	3	ChEMBL_1450484 (CHEMBL3379980)	Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as reduction in capsaicin-induced intracellular calcium response pre-incubated 5 mins before capsaicin addition by fluorescence assay
50045286	4	ChEMBL_1450486 (CHEMBL3380604)	Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium level by fluorescence assay
50045286	5	ChEMBL_1450487 (CHEMBL3380605)	Antagonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as reduction in isothiocynate-induced increase in intracellular calcium response by fluorescence assay
50045286	6	ChEMBL_1450490 (CHEMBL3380608)	Inhibition of FAAH in rat brain membranes assessed as reduction in [14C] anandamide hydrolysis by scintillation counting method
50015368	1	ChEMBL_304820 (CHEMBL827909)	Concentration required to inhibit monoamine oxidase activity by 50%
50015371	3	ChEMBL_303502 (CHEMBL839974)	Displacement of [3H]cyanoimiprimine from serotonin transporter of rat cerebral cortical homogenate
50015371	4	ChEMBL_303591 (CHEMBL829602)	Displacement of [3H]-nisoxetine from norepinephrine transporter of rat cerebral corticex homogenate
50015371	2	ChEMBL_303354 (CHEMBL838689)	Displacement of [3H]CIT from dopamine transporter of rat striatal homogenate
50015371	1	ChEMBL_303165 (CHEMBL829977)	Inhibition of [18F]PET binding to dopamine transporter of human brain
50015372	1	ChEMBL_305768 (CHEMBL827105)	Inhibitory activity against enzyme S-adenosyl-homocysteine hydrolase of human placenta
50015374	1	ChEMBL_305549 (CHEMBL828568)	Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria
50015376	1	ChEMBL_306640 (CHEMBL832977)	In vitro inhibitory activity against RNA polymerase of Escherichia coli
50045286	7	ChEMBL_1450473 (CHEMBL3379969)	Agonist activity at human recombinant CB1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50015378	1	ChEMBL_302680 (CHEMBL876693)	Binding affinity for human Kappa opioid receptor
50015378	3	ChEMBL_302680 (CHEMBL876693)	Binding affinity for human Kappa opioid receptor
50045286	8	ChEMBL_1450470 (CHEMBL3379966)	Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes
50015378	2	ChEMBL_302611 (CHEMBL839660)	Binding affinity for human Mu opioid receptor
50015380	2	ChEMBL_305698 (CHEMBL828069)	Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase
50015380	1	ChEMBL_305668 (CHEMBL827937)	Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase
50024470	1	ChEMBL_481407 (CHEMBL965944)	Displacement of human [125I]MIP-1-alpha from human CCR5 overexpressed in CHO cells by SPA
50024475	1	ChEMBL_481421 (CHEMBL1008679)	Inhibition of DNA polymerase beta lyase activity
50024475	2	ChEMBL_481422 (CHEMBL1008680)	Inhibition of GST-fused human recombinant Cdc25B2 (275-539) catalytic domain
50045286	9	ChEMBL_1450469 (CHEMBL3379965)	Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes
50015386	2	ChEMBL_302635 (CHEMBL839926)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA II
50015386	4	ChEMBL_302639 (CHEMBL839930)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA IX
50015386	5	ChEMBL_302637 (CHEMBL839928)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV
50015386	1	ChEMBL_302606 (CHEMBL839656)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA I
50045287	1	ChEMBL_1451316 (CHEMBL3363335)	Binding affinity to serine recemase (unknown origin)
50045287	2	ChEMBL_1450503 (CHEMBL3380621)	Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production after 10 mins by Saccharomyces cerevisiae Dsd1SC based D-serine detection assay
50045288	1	ChEMBL_1451318 (CHEMBL3363337)	Inhibition of Flt3 (unknown origin) by Off-chip Mobility Shift Assay
50045288	2	ChEMBL_1451317 (CHEMBL3363336)	Inhibition of Mer (unknown origin) by Off-chip Mobility Shift Assay
50045288	3	ChEMBL_1451337 (CHEMBL3363356)	Inhibition of Axl (unknown origin) by Off-chip Mobility Shift Assay
50045288	4	ChEMBL_1451338 (CHEMBL3363357)	Inhibition of Tyro3 (unknown origin) by Off-chip Mobility Shift Assay
50045288	5	ChEMBL_1451339 (CHEMBL3363358)	Inhibition of TRKA (unknown origin) by Off-chip Mobility Shift Assay
50045288	6	ChEMBL_1451340 (CHEMBL3363359)	Inhibition of TRKC (unknown origin) by Off-chip Mobility Shift Assay
50045288	7	ChEMBL_1451341 (CHEMBL3363360)	Inhibition of QIK (unknown origin) by Off-chip Mobility Shift Assay
50045288	8	ChEMBL_1451342 (CHEMBL3363361)	Inhibition of SLK (unknown origin) by Off-chip Mobility Shift Assay
50045288	9	ChEMBL_1451343 (CHEMBL3363362)	Inhibition of Nuak1 (unknown origin) by Off-chip Mobility Shift Assay
50045288	10	ChEMBL_1451344 (CHEMBL3363363)	Inhibition of Kit (unknown origin) by Off-chip Mobility Shift Assay
50045288	11	ChEMBL_1451345 (CHEMBL3363364)	Inhibition of Met (unknown origin) by Off-chip Mobility Shift Assay
50045288	12	ChEMBL_1451349 (CHEMBL3363368)	Inhibition of Mer phosphorylation in human 697 cells preincubated for 1 hr by densitometry
50045288	13	ChEMBL_1451350 (CHEMBL3363369)	Inhibition of Flt3 phosphorylation in human Molm-14 cells preincubated for 1 hr by densitometry
50045288	14	ChEMBL_1451355 (CHEMBL3363374)	Inhibition of EGFR extracellular/transmembrane domain-tagged Mer intracellular domain (unknown origin) expressed in 32D cells assessed as inhibition EGF-stimulated of phosphorylation pretreated for 1 hr prior to EGF stimulation by Western blot analysis
50045288	15	ChEMBL_1451356 (CHEMBL3363375)	Inhibition of EGFR extracellular/transmembrane domain-tagged Axl intracellular domain (unknown origin) expressed in 32D cells assessed as inhibition EGF-stimulated of phosphorylation pretreated for 1 hr prior to EGF stimulation by Western blot analysis
50045288	16	ChEMBL_1451357 (CHEMBL3363376)	Inhibition of EGFR extracellular/transmembrane domain-tagged Tyro3 intracellular domain (unknown origin) expressed in 32D cells assessed as inhibition EGF-stimulated of phosphorylation pretreated for 1 hr prior to EGF stimulation by Western blot analysis
50045288	17	ChEMBL_1451364 (CHEMBL3363648)	Inhibition of Mer (unknown origin)
50045288	18	ChEMBL_1451365 (CHEMBL3363649)	Inhibition of Flt3 (unknown origin)
50045289	1	ChEMBL_1451367 (CHEMBL3363651)	Inhibition of MCT1 (unknown origin) overexpressed in human MCF7 cells assessed as inhibition of transporter-mediated [14C]lactate transport after 10 mins by scintillation counting
50045290	1	ChEMBL_1451373 (CHEMBL3363657)	Binding affinity to GST-tagged SPSB2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR assay
50045291	1	ChEMBL_1452234 (CHEMBL3366146)	Inhibition of HDAC2 (unknown origin) incubated at 37 degC for 30 mins
50045291	2	ChEMBL_1452233 (CHEMBL3366145)	Inhibition of HDAC1 (unknown origin) incubated at 37 degC for 30 mins
50045291	3	ChEMBL_1452235 (CHEMBL3366147)	Inhibition of HDAC3 (unknown origin) incubated at 37 degC for 30 mins
50045291	4	ChEMBL_1452236 (CHEMBL3366148)	Inhibition of HDAC8 (unknown origin) incubated at 37 degC for 30 mins
50045292	1	ChEMBL_1452242 (CHEMBL3366154)	Displacement of [3H]LSD from human 5-HT7 receptor by liquid scintillation counting
50045292	2	ChEMBL_1452243 (CHEMBL3366155)	Displacement of [3H]SCH23390 from human dopamine D1 receptor by liquid scintillation counting
50045292	3	ChEMBL_1452244 (CHEMBL3366156)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
50045292	4	ChEMBL_1452245 (CHEMBL3366157)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting
50045292	5	ChEMBL_1452246 (CHEMBL3366158)	Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting
50045292	6	ChEMBL_1452247 (CHEMBL3366159)	Displacement of [3H]SCH23390 from human dopamine D5 receptor by liquid scintillation counting
50045292	7	ChEMBL_1452248 (CHEMBL3366160)	Displacement of [3H]LSD from human 5-HT2B receptor by liquid scintillation counting
50015391	1	ChEMBL_305219 (CHEMBL831639)	Inhibitory concentration required to inhibit Abl tyrosine kinase
50015391	2	ChEMBL_305348 (CHEMBL832728)	Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase
50045292	8	ChEMBL_1452249 (CHEMBL3366161)	Displacement of [3H]Mesulergine from rat 5-HT2C receptor by liquid scintillation counting
50045292	9	ChEMBL_1452250 (CHEMBL3366162)	Displacement of [3H]Pyrilamine from human histamine H1 receptor by liquid scintillation counting
50045292	10	ChEMBL_1452254 (CHEMBL3366166)	Displacement of [3H]GBR12935 from human dopamine transporter by liquid scintillation counting
50045292	11	ChEMBL_1452240 (CHEMBL3366152)	Displacement of [3H] 8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting
50045292	12	ChEMBL_1452241 (CHEMBL3366153)	Displacement of [3H]Ketanserin from human 5-HT2A receptor by liquid scintillation counting
50015395	1	ChEMBL_303619 (CHEMBL828874)	Binding affinity towards dopamine D3 receptor in ventral striatal membranes of sprague-dawley rat brain by using [3H]-PD 128907 as radioligand
50045292	13	ChEMBL_1452255 (CHEMBL3366167)	Displacement of [3H]Nisoxetine from human Norepinephrine transporter by liquid scintillation counting
50045292	14	ChEMBL_1452256 (CHEMBL3366168)	Displacement of [3H]Citalopram from human Serotonin transporter by liquid scintillation counting
50015396	1	ChEMBL_305280 (CHEMBL832829)	Inhibitory concentration against human trypsin activity
50015396	3	ChEMBL_305561 (CHEMBL828580)	Inhibitory concentration against human serine protease factor Xa
50015396	2	ChEMBL_305313 (CHEMBL831704)	Inhibitory concentration against human thrombin activity
50015397	3	ChEMBL_303692 (CHEMBL829737)	Inhibition of [3H]epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes
50015397	2	ChEMBL_303613 (CHEMBL828868)	Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes
50045293	1	ChEMBL_1452260 (CHEMBL3366172)	Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
50015401	1	ChEMBL_304144 (CHEMBL840260)	Concentration required to inhibit 50% of telomerase activity
50015405	2	ChEMBL_303482 (CHEMBL838856)	In vitro ability to displace the radioligand [3H]-OH-DPAT from binding to rat 5-hydroxytryptamine 1A receptor
50015405	1	ChEMBL_303424 (CHEMBL840087)	In vitro ability to displace the radioligand [3H]5-CT from binding to rat 5-hydroxytryptamine 7 receptor
50015406	1	ChEMBL_304250 (CHEMBL829721)	Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]GTP gamma S binding assay
50015408	1	ChEMBL_305096 (CHEMBL832400)	Inhibitory concentration against Melatonin receptor type 1A
50015408	2	ChEMBL_305097 (CHEMBL832401)	Inhibitory concentration against Melatonin receptor type 1B
50015411	4	ChEMBL_304862 (CHEMBL828420)	Inhibition of [3H]FPP incorporation into H-ras CVLS by Farnesyltransferase
50015411	2	ChEMBL_304691 (CHEMBL827044)	Inhibition of K-Ras transformed NIH3T3 cell proliferation
50015412	2	ChEMBL_305247 (CHEMBL833505)	Inhibitory concentration against Inducible nitric oxide synthase
50015412	1	ChEMBL_305218 (CHEMBL831638)	Inhibitory concentration against Neuronal nitric oxide synthase
50015412	3	ChEMBL_305309 (CHEMBL831700)	Inhibitory concentration against Endothelial nitric oxide synthase
50015416	3	ChEMBL_305859 (CHEMBL832719)	Inhibitory concentration for biotinylated fibrinogen binding to immobilized alpha IIb beta-3 integrin
50015416	1	ChEMBL_305552 (CHEMBL828571)	Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta3 integrin
50015416	2	ChEMBL_305553 (CHEMBL828572)	Inhibitory concentration for human vitronectin binding to immobilized alphaV-beta5 integrin
50045293	2	ChEMBL_1452261 (CHEMBL3366173)	Agonist activity at human S1P3 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
50015417	2	ChEMBL_305523 (CHEMBL827660)	Inhibition of estrogen-related receptor alpha Gal4 activity
50015417	1	ChEMBL_305500 (CHEMBL831102)	Inhibition of estrogen-related receptor alpha Gal4 activity
50015417	3	ChEMBL_305531 (CHEMBL828552)	Inhibition of estrogen-related receptor alpha in FP assay
50015419	1	ChEMBL_305142 (CHEMBL832595)	Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate
50015419	2	ChEMBL_302659 (CHEMBL839948)	Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate
50045294	1	ChEMBL_1453147 (CHEMBL3364781)	Inhibition of Trypanosoma cruzi cruzain
50045295	1	ChEMBL_1453154 (CHEMBL3364788)	Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting
50045295	2	ChEMBL_1453155 (CHEMBL3364789)	Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting
50045295	3	ChEMBL_1453156 (CHEMBL3364790)	Partial agonist activity at human cannabinoid CB2 receptor expressed in CHO-K1 cells assessed as [S35]GTPgammaS binding by scintillation counting
50045295	4	ChEMBL_1453158 (CHEMBL3364792)	Partial agonist activity at human cannabinoid CB1 receptor expressed in CHO-K1 cells assessed as [S35]GTPgammaS binding by scintillation counting
50045296	1	ChEMBL_1453162 (CHEMBL3364796)	Agonist activity at human 5-HT7 expressed in HEK-293 cells assessed as increase in cAMP level after 45 mins by HTRF assay
50045296	2	ChEMBL_1453161 (CHEMBL3364795)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry
50045296	3	ChEMBL_1453160 (CHEMBL3364794)	Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry
50045296	4	ChEMBL_1453164 (CHEMBL3364798)	Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibition in serotonin-induced increase in cAMP level after 45 mins by HTRF assay
50045297	2	ChEMBL_1454018 (CHEMBL3367077)	Displacement of [33P]2MeS-ADP from P2Y12 receptor (unknown origin) transfected in CHO cells after 30 mins by scintillation counting analysis
50045297	4	ChEMBL_1454020 (CHEMBL3367079)	Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation
50015424	1	ChEMBL_306724 (CHEMBL831487)	Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 3 Receptor
50015426	1	ChEMBL_306281 (CHEMBL828424)	Inhibition of [3H]mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate
50015434	2	ChEMBL_306679 (CHEMBL830013)	Inhibition of [125I]ovine-CRF binding to corticotropin releasing factor receptor 1
50015434	1	ChEMBL_303621 (CHEMBL828876)	Inhibition of [125I]ovine-CRF binding to corticotropin releasing factor receptor 1
50015435	2	ChEMBL_303547 (CHEMBL839752)	Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation
50045297	3	ChEMBL_1454019 (CHEMBL3367078)	Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced aggregation
50045298	1	ChEMBL_1458574 (CHEMBL3370892)	Inhibition of phosphatidylserine-stimulated GTPase activity of recombinant rat Dynamin 2 expressed in Sf21 cells assessed as inhibition of orthophosphate release from GTP by malachite green method
50045298	2	ChEMBL_1458576 (CHEMBL3371119)	Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreated for 30 mins by high-content imaging method
50045299	1	ChEMBL_1458585 (CHEMBL3371128)	Inhibition of PI3Kalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50046784	6	ChEMBL_1526069 (CHEMBL3636218)	Non-competitive inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate by Michaelis-Menten kinetic equation analysis
50045299	2	ChEMBL_1458586 (CHEMBL3371129)	Inhibition of mTOR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	3	ChEMBL_1458587 (CHEMBL3371130)	Inhibition of B-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	4	ChEMBL_1458588 (CHEMBL3371131)	Inhibition of C-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	5	ChEMBL_1458589 (CHEMBL3371132)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50046786	3	ChEMBL_1526086 (CHEMBL3636333)	Binding affinity to NMDA receptor (unknown origin)
50045299	6	ChEMBL_1458590 (CHEMBL3371133)	Inhibition of VEGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	7	ChEMBL_1458591 (CHEMBL3371134)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50046788	3	ChEMBL_1526465 (CHEMBL3637734)	Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay
50045299	8	ChEMBL_1458592 (CHEMBL3371135)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	9	ChEMBL_1458593 (CHEMBL3371136)	Inhibition of KIT (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045299	10	ChEMBL_1458594 (CHEMBL3371137)	Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50045300	1	ChEMBL_1458598 (CHEMBL3371141)	Inhibition of human PARP1
50045301	1	ChEMBL_1458604 (CHEMBL3371147)	Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assay
50045301	2	ChEMBL_1458603 (CHEMBL3371146)	Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay
50045301	3	ChEMBL_1458602 (CHEMBL3371145)	Inhibition of cathepsin E (unknown origin)
50045301	4	ChEMBL_1458601 (CHEMBL3371144)	Inhibition of cathepsin D (unknown origin)
50045301	5	ChEMBL_1458606 (CHEMBL3371149)	Inhibition of cathepsin D in bovine cartilage explants assessed as reduction in sulphated GAGs level after 3 days by spectrophotometric 1,9-dimethylmethylene blue shift assay based glycosaminoglycan release method
50045302	1	ChEMBL_1459450 (CHEMBL3368556)	Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method
50045303	1	ChEMBL_1460269 (CHEMBL3370185)	Inhibition of full-length human PIM1 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP
50015440	1	ChEMBL_304267 (CHEMBL829868)	Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells
50015440	2	ChEMBL_304169 (CHEMBL830007)	Effective concentration against metabotropic glutamate receptor 5 of rat
50015441	4	ChEMBL_303794 (CHEMBL829843)	Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-2-beta-3-gamma-2 expressed in L(tk-) cells 
50015441	3	ChEMBL_303795 (CHEMBL829844)	Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-) cells 
50015441	6	ChEMBL_303796 (CHEMBL829845)	Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-5-beta-3-gamma-2 expressed in L(tk-) cells 
50015441	5	ChEMBL_302649 (CHEMBL839939)	Binding affinity towards gamma-aminobutyric-acid GABA-A receptor alpha-6-beta-3-gamma-2
50015441	1	ChEMBL_303793 (CHEMBL829842)	Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha-1-beta-3-gamma-2 expressed in L(tk-) cells 
50015441	2	ChEMBL_302648 (CHEMBL839938)	Binding affinity towards gamma-aminobutyric-acid GABA-A receptor alpha-4-beta-3-gamma-2
50015442	2	ChEMBL_306405 (CHEMBL828746)	Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Arg-AMC as synthetic substrate
50015442	3	ChEMBL_306404 (CHEMBL828745)	Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Arg-AMC as synthetic substrate
50015442	1	ChEMBL_306474 (CHEMBL829552)	Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Leu-Arg-AMC as synthetic substrate
50045303	2	ChEMBL_1460270 (CHEMBL3370186)	Inhibition of full-length human PIM3 using RSRHSSYPAGT as substrate assessed as residual kinase activity after 30 mins in presence of [gamma-33P]ATP
50045304	1	ChEMBL_1460276 (CHEMBL3370192)	Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
50045304	2	ChEMBL_1460275 (CHEMBL3370191)	Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins
50045304	3	ChEMBL_1460274 (CHEMBL3370190)	Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by FLIPR calcium assay
50045304	4	ChEMBL_1460283 (CHEMBL3370199)	Agonist activity at myc-tagged mu opioid receptor (unknown origin) expressed in AtT-20 cells assessed as induction of membrane potential hyperpolarization
50045304	5	ChEMBL_1460278 (CHEMBL3370194)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
50045304	6	ChEMBL_1460277 (CHEMBL3370193)	Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by HTRF assay
50045305	1	ChEMBL_1447042 (CHEMBL3374948)	Inhibition of human GPR119 activity by homogeneous time resolved fluorescence cyclase (cAMP) assay
50015448	1	ChEMBL_302752 (CHEMBL838699)	Binding affinity for human phenylalanine hydroxylase
50015448	2	ChEMBL_305560 (CHEMBL828579)	Inhibitory concentration against human phenylalanine hydroxylase
50015449	3	ChEMBL_303536 (CHEMBL877454)	Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)
50015449	7	ChEMBL_305886 (CHEMBL832901)	Inhibitory concentration against human glutathione reductase
50015449	9	ChEMBL_302908 (CHEMBL876366)	Inhibitory concentration against Plasmodium falciparum glutathione reductase
50015449	1	ChEMBL_302908 (CHEMBL876366)	Inhibitory concentration against Plasmodium falciparum glutathione reductase
50045305	2	ChEMBL_1447044 (CHEMBL3374950)	Inhibition of rat GPR119 activity by homogeneous time resolved fluorescence cyclase (cAMP) assay
50015454	1	ChEMBL_303571 (CHEMBL828971)	Inhibition of [3H][3-Me-His2]-TRH binding to thyrotropin releasing hormone receptor of rat forebrain
50015455	3	ChEMBL_310320 (CHEMBL833276)	Serotonin 5-HT2A receptor-mediated intracellular calcium [Ca2+] mobilization in rat A7r5 cells
50015455	1	ChEMBL_302684 (CHEMBL839446)	Binding affinity for 5-HT2A serotonin receptor
50015455	2	ChEMBL_302664 (CHEMBL839952)	Binding affinity for 5-HT2A serotonin receptor
50015461	1	ChEMBL_305477 (CHEMBL831086)	In vitro inhibition of ovine prostaglandin G/H synthase 2
50015461	2	ChEMBL_305476 (CHEMBL831085)	In vitro inhibition of ovine prostaglandin G/H synthase 1
50015462	4	ChEMBL_303403 (CHEMBL839160)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor
50015462	5	ChEMBL_303403 (CHEMBL839160)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor
50015462	2	ChEMBL_303399 (CHEMBL840062)	Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-1 adrenergic receptor
50045305	3	ChEMBL_1447046 (CHEMBL3374952)	Inhibition of CYP2C9 (unknown origin)
50045305	4	ChEMBL_1447050 (CHEMBL3374956)	Inhibition of CYP2C19 (unknown origin)
50045306	1	ChEMBL_1447981 (CHEMBL3379807)	Inhibition of beta-secretase (unknown origin) using 150 nM Rhodamine-EVNLDAEFK-quencher substrate proteolysis by fluorescence resonance energy transfer assay
50045306	2	ChEMBL_1447978 (CHEMBL3379804)	Inhibition of human BChE assessed as acetylthiocholine hydrolysis
50045306	3	ChEMBL_1447977 (CHEMBL3379803)	Inhibition of human AChE assessed as acetylthiocholine hydrolysis
50015463	1	ChEMBL_303400 (CHEMBL840063)	Binding inhibition constant was determined by inhibition of [125I]-iodocyanopindolol binding to Beta-1 adrenergic receptor
50015463	6	ChEMBL_310533 (CHEMBL834428)	Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor
50015466	2	ChEMBL_302575 (CHEMBL839536)	Antagonist activity towards Neuropeptide Y receptor type 1
50015466	1	ChEMBL_305666 (CHEMBL827935)	Inhibition of binding of [125I]PYY to membranes of SK-N-MC cells expressing the human Y1 receptors
50045307	1	ChEMBL_1447982 (CHEMBL3379808)	Inhibition of human recombinant AChE pre-incubated for 5 mins before acetylthiocholine substrate addition by Ellman's method
50045307	2	ChEMBL_1447983 (CHEMBL3379809)	Inhibition of human BuChE pre-incubated for 5 mins before butylthiocholine substrate addition by Ellman's method
50045307	3	ChEMBL_1447985 (CHEMBL3379811)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot
50045307	4	ChEMBL_1447986 (CHEMBL3379812)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot
50045308	1	ChEMBL_1448010 (CHEMBL3380434)	Inhibition of FLT3 (unknown origin) using EAIYAAPFAKKK substrate
50045308	2	ChEMBL_1448009 (CHEMBL3380433)	Inhibition of Aurora B (unknown origin) using HLRRASLG substrate
50045308	3	ChEMBL_1448828 (CHEMBL3374446)	Inhibition of c-Kit (unknown origin)
50045308	4	ChEMBL_1448829 (CHEMBL3374447)	Inhibition of Lck (unknown origin)
50045308	5	ChEMBL_1448830 (CHEMBL3374448)	Inhibition of CYP1A2 (unknown origin) using 3-cyano-7-ethoxycoumarin substrate
50045308	6	ChEMBL_1448831 (CHEMBL3374449)	Inhibition of CYP2C9 (unknown origin) using Vivid OOMR substrate
50045308	7	ChEMBL_1448832 (CHEMBL3374450)	Inhibition of CYP2C19 (unknown origin) using 3-cyano-7-ethoxycoumarin substrate
50045308	8	ChEMBL_1448833 (CHEMBL3374451)	Inhibition of CYP2D6 (unknown origin) using 3-cyano-7-ethoxycoumarin substrate
50045308	9	ChEMBL_1448834 (CHEMBL3374452)	Inhibition of CYP3A4 (unknown origin) using Vivid OOMR substrate
50045308	10	ChEMBL_1448835 (CHEMBL3374453)	Inhibition of human ERG channel after 3 hrs by fluorescence assay
50045309	1	ChEMBL_1448873 (CHEMBL3375075)	Inhibition of purified recombinant HIV-1 reverse transcriptase after 1 hr using biotin-labeled dUTP by digoxigenin-peroxidase assay
50045310	1	ChEMBL_1449741 (CHEMBL3378164)	Inhibition of Pin1 (unknown origin)
50045311	1	ChEMBL_1449751 (CHEMBL3378174)	Inhibition of glycogen phosphorylase b (unknown origin)
50045311	2	ChEMBL_1449752 (CHEMBL3378175)	Inhibition of glycogen phosphorylase a (unknown origin)
50045311	3	ChEMBL_1449753 (CHEMBL3378176)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release
50045312	1	ChEMBL_1449768 (CHEMBL3378755)	Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay
50045312	2	ChEMBL_1449769 (CHEMBL3378756)	Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay
50015472	4	ChEMBL_302836 (CHEMBL827881)	In vitro binding affinity for human 5-hydroxytryptamine 1D receptor
50015472	5	ChEMBL_304280 (CHEMBL829881)	Stimulation of [35S]GTP-gamma-S, binding to cloned human 5-hydroxytryptamine 1F receptor expressed in Mouse LM(tk-) cells
50015472	2	ChEMBL_302834 (CHEMBL876361)	In vitro binding affinity for human 5-hydroxytryptamine 1A receptor
50015472	1	ChEMBL_302835 (CHEMBL840149)	In vitro binding affinity for human 5-hydroxytryptamine 1B receptor
50015472	3	ChEMBL_302837 (CHEMBL827882)	In vitro binding affinity for human 5-hydroxytryptamine 1F receptor
50015473	1	ChEMBL_311972 (CHEMBL834389)	Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria
50015478	4	ChEMBL_303777 (CHEMBL830134)	Binding affinity of the [35S]- radiolabeled compound to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay
50015478	3	ChEMBL_306532 (CHEMBL827821)	Antagonist activity against human Bradykinin receptor B1 was determined in a fluorescence imaging plate reader assay
50015478	11	ChEMBL_302791 (CHEMBL839475)	Binding affinity of the [35S]- radiolabeled compound to rabbit Bradykinin receptor B1
50015478	5	ChEMBL_303697 (CHEMBL828184)	Binding affinity to human Bradykinin receptor B1 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay
50015478	6	ChEMBL_303698 (CHEMBL828185)	Binding affinity to human Bradykinin receptor B2 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay
50015478	1	ChEMBL_303778 (CHEMBL830135)	Binding affinity of the [35S]- radiolabeled compound to human Bradykinin receptor B2 over-expressed in transgenic rats was determined by ex vivo receptor occupancy assay
50015478	10	ChEMBL_302897 (CHEMBL830212)	Binding affinity of the [35S]- radiolabeled compound to rhesus monkey Bradykinin receptor B1
50015478	9	ChEMBL_302734 (CHEMBL876354)	Binding affinity of the [35S]- radiolabeled compound to rat Bradykinin receptor B1
50015478	8	ChEMBL_302253 (CHEMBL830269)	Equilibrium dissociation constant of the [35S]- radiolabeled compound against human Bradykinin receptor B1 expressed in CHO membranes was determined
50015478	7	ChEMBL_302733 (CHEMBL838681)	Binding affinity of the [35S]- radiolabeled compound to dog Bradykinin receptor B1
50015479	2	ChEMBL_305703 (CHEMBL827218)	In vitro inhibition of Prostaglandin G/H synthase 2 in human whole blood
50015480	1	ChEMBL_304964 (CHEMBL827842)	Inhibitory activity against human Potassium channel HERG
50015480	3	ChEMBL_306750 (CHEMBL830895)	Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates Tolbutamide (2C9)
50015480	4	ChEMBL_302573 (CHEMBL839534)	Inhibitory activity against human mast cell tryptase beta
50015480	2	ChEMBL_306771 (CHEMBL831868)	Inhibitory activity against cytochrome P450 determined using human liver microsome upon 15 min incubation with probes substrates s-mephenytoin (2C19)
50015482	5	ChEMBL_304883 (CHEMBL829258)	Inhibitory activity against Cyclin-dependent kinase 4
50015482	14	ChEMBL_304648 (CHEMBL877305)	Inhibitory activity against HER2 kinase
50045313	1	ChEMBL_1449777 (CHEMBL3378764)	Inhibition of influenza A virus (A/Perth/16/2009(H3N2)) neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay
50015482	1	ChEMBL_304745 (CHEMBL829344)	inhibitory activity against Fyn protein kinase
50045313	2	ChEMBL_1449776 (CHEMBL3378763)	Inhibition of influenza A virus (A/California/07/2009(H1N1)) pdm09 neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by fluorometric assay
50015482	12	ChEMBL_304629 (CHEMBL828514)	inhibitory activity against Hck kinase
50045314	1	ChEMBL_1449782 (CHEMBL3378769)	Inverse agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP after 20 mins by steady-state GTPase assay
50015482	8	ChEMBL_304689 (CHEMBL827042)	inhibitory activity against Janus kinase 3
50015482	6	ChEMBL_304882 (CHEMBL829257)	Inhibitory activity against Cyclin-dependent kinase 2
50015483	3	ChEMBL_305773 (CHEMBL874439)	In vitro inhibition of A disintegrin and metalloprotease domain 10 (ADAM10)
50015483	1	ChEMBL_306185 (CHEMBL830979)	Inhibition of A disintegrin and metalloprotease domain 12 (ADAM12) binding in cell based assay
50015483	2	ChEMBL_305977 (CHEMBL832142)	In vitro inhibition of A disintegrin and metalloprotease domain 17 (ADAM17, TACE)
50015483	4	ChEMBL_305750 (CHEMBL829521)	In vitro inhibition of A disintegrin and metalloprotease domain 9 (ADAM9)
50015484	2	ChEMBL_311631 (CHEMBL833941)	Compound was tested for inhibition of tubulin polymerisation
50015485	2	ChEMBL_305711 (CHEMBL827225)	Inhibition of Ataxia telangiectasia related protein ATR kinase
50015485	1	ChEMBL_305479 (CHEMBL830270)	Inhibition of Mammalian target of Rapamycin mTOR
50015485	5	ChEMBL_305876 (CHEMBL831920)	Inhibition of Phosphatidylinositol 3-kinase p110 alpha subunit
50015485	3	ChEMBL_305814 (CHEMBL829467)	Inhibition of Mutated in ataxia telangiectasia protein ATM kinase
50045314	2	ChEMBL_1450506 (CHEMBL3380624)	Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Gbeta1gamma2 and RSG4 assessed as degradation of [gamma-33P]GTP after 20 mins by steady-state GTPase assay
50015487	2	ChEMBL_312479 (CHEMBL833228)	In vitro antagonistic activity against mutant androgen receptor of LNCap cells
50015487	3	ChEMBL_312372 (CHEMBL836730)	In vitro antagonistic activity against androgen receptor of MDA-453 cells
50015487	1	ChEMBL_303250 (CHEMBL826376)	Displacement of [3H]DHT from androgen receptor of human MDA-453 cells
50045314	3	ChEMBL_1449781 (CHEMBL3378768)	Displacement of [3H] CP-55,940 from human CB2 receptor expressed in HEK cells at 10 uM after 3 hrs by scintillation counting
50045315	1	ChEMBL_1451385 (CHEMBL3363669)	Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay
50045315	2	ChEMBL_1451387 (CHEMBL3363671)	Agonist activity at human LPA1 expressed in LPA1xLPA2 double knockout mouse MEF cells up to 10 uM by Fura-2AM dye based Ca2+ mobilization assay
50045315	3	ChEMBL_1451389 (CHEMBL3363673)	Agonist activity at human LPA3 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay
50045315	4	ChEMBL_1451391 (CHEMBL3363675)	Agonist activity at mouse LPA4 expressed in CHO cells by Fura-2AM dye based Ca2+ mobilization assay
50045315	5	ChEMBL_1451393 (CHEMBL3363677)	Agonist activity at FLAG-tagged human LPA5 expressed in rat B103 cells by Fura-2AM dye based Ca2+ mobilization assay
50045315	6	ChEMBL_1451396 (CHEMBL3363956)	Antagonist activity at human LPA3 expressed in LPA1xLPA2 double knockout mouse MEF cells assessed as reduction in LP18:1-induced calcium mobilization by Fura-2AM dye based Ca2+ mobilization assay
50045316	1	ChEMBL_1451406 (CHEMBL3363966)	Inhibition of CYP3A4 in human liver microsomes using 7-benzyloxyquiniline substrate and NADPH incubated up to 2 hrs
50015493	2	ChEMBL_429536 (CHEMBL918077)	Binding affinity to human EP4 receptor
50015493	1	ChEMBL_429535 (CHEMBL918076)	Binding affinity to human EP3 receptor
50015493	5	ChEMBL_429534 (CHEMBL918075)	Binding affinity to human EP2 receptor
50015493	3	ChEMBL_429537 (CHEMBL918078)	Functional activity at human EP4 receptor
50015493	4	ChEMBL_429533 (CHEMBL918074)	Binding affinity to human EP1 receptor
50015494	1	ChEMBL_429541 (CHEMBL918082)	Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum
50045316	2	ChEMBL_1451407 (CHEMBL3363967)	Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs
50015497	2	ChEMBL_429562 (CHEMBL919560)	Inhibition of COX2 expressed in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay
50015497	3	ChEMBL_429564 (CHEMBL919562)	Inhibition of 5LOX in human whole blood assessed as inhibition of calcium ionophore A 23187-stimulated 5HETE production by HPLC analysis
50045316	3	ChEMBL_1451403 (CHEMBL3363963)	Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay
50045317	1	ChEMBL_1452284 (CHEMBL3366538)	Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells
50045317	2	ChEMBL_1452285 (CHEMBL3366539)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha induced chemotaxis after 60 mins
50045317	3	ChEMBL_1452286 (CHEMBL3366540)	Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay
50045317	4	ChEMBL_1452290 (CHEMBL3366544)	Displacement of [125I]hMIP-1alpha from CCR1 in human PBMC
50045317	5	ChEMBL_1452291 (CHEMBL3366545)	Displacement of [125I]hMIP-1alpha from mouse CCR1
50045317	6	ChEMBL_1452294 (CHEMBL3366548)	Displacement of [125I]hMIP-1alpha from dog PBMC CCR1
50045317	7	ChEMBL_1452298 (CHEMBL3366552)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 60 mins
50045317	8	ChEMBL_1452299 (CHEMBL3366553)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of RANTES-induced chemotaxis after 60 mins
50045317	9	ChEMBL_1452300 (CHEMBL3366554)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MCP3-induced chemotaxis after 60 mins
50045317	10	ChEMBL_1452301 (CHEMBL3366555)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of HCC1-induced chemotaxis after 60 mins
50045317	11	ChEMBL_1452302 (CHEMBL3366556)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of LKN1-induced chemotaxis after 60 mins
50045317	12	ChEMBL_1452303 (CHEMBL3366557)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of HCC4-induced chemotaxis after 60 mins
50045317	13	ChEMBL_1452304 (CHEMBL3366558)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MPIF1-induced chemotaxis after 60 mins
50045317	14	ChEMBL_1452305 (CHEMBL3366559)	Antagonist activity at CCR1 receptor in human whole blood assessed as blocked of MIP-1alpha-mediated CD11b upregulation preincubated for 1 hr
50045317	15	ChEMBL_1452306 (CHEMBL3366560)	Antagonist activity at CCR1 receptor in human whole blood assessed as blocked of LKN1-mediated CD11b upregulation preincubated for 1 hr
50045318	1	ChEMBL_1453217 (CHEMBL3365510)	Inhibition of human recombinant human ALK2 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]
50045318	2	ChEMBL_1453216 (CHEMBL3365509)	Inhibition of purified human ALK5 kinase after 45 mins by liquid scintillation counting in presence of ATP [gamma-32P]
50045318	3	ChEMBL_1453218 (CHEMBL3365511)	Inhibition of BMP6-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assay
50045318	4	ChEMBL_1453219 (CHEMBL3365512)	Inhibition of TGFbeta1-induced TGFbeta type 1 ALK5 in HEK293T cells after 30 mins by luciferase reporter gene assay
50045318	5	ChEMBL_1453221 (CHEMBL3365514)	Inhibition of ALK1 (unknown origin) expressed in HEK293T cells after 30 mins by luciferase reporter gene assay
50045318	6	ChEMBL_1453222 (CHEMBL3365515)	Inhibition of ALK2 (unknown origin) expressed in HEK293T cells after 30 mins by luciferase reporter gene assay
50045318	7	ChEMBL_1453223 (CHEMBL3365516)	Inhibition of ALK3 (unknown origin) expressed in HEK293T cells after 30 mins by luciferase reporter gene assay
50045318	8	ChEMBL_1453224 (CHEMBL3365517)	Inhibition of BMP2-induced BMP receptor type 1 ALK2 in mouse C2C12 cells after 30 mins by luciferase reporter gene assay
50045318	9	ChEMBL_1453225 (CHEMBL3365518)	Inhibition of BMP4-induced BMP receptor in mouse C2C12 cells after 30 mins by luciferase reporter gene assay
50015500	8	ChEMBL_429652 (CHEMBL920484)	Inhibition of MAPKAPK1a
50015500	7	ChEMBL_429653 (CHEMBL920485)	Inhibition of SGK
50045319	1	ChEMBL_1453248 (CHEMBL3365541)	Antagonist activity at human NOD1 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid handler-assisted reporter gene assay
50015500	3	ChEMBL_429651 (CHEMBL920483)	Inhibition of MKK1
50045319	2	ChEMBL_1454053 (CHEMBL3361799)	Antagonist activity at human NOD2 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid handler-assisted reporter gene assay
50045319	3	ChEMBL_1453239 (CHEMBL3365532)	Agonist activity at human TLR8 stably expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as NF-kappaB induction by liquid handler-assisted reporter gene assay
50015500	4	ChEMBL_429650 (CHEMBL920482)	Inhibition of DYRK1A
50045320	1	ChEMBL_1454057 (CHEMBL3361803)	Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
50015501	1	ChEMBL_429662 (CHEMBL919956)	Inhibition of AChE by microplate assay
50015502	2	ChEMBL_429674 (CHEMBL919968)	Inhibition of TACE
50015502	1	ChEMBL_429668 (CHEMBL919962)	Inhibition of MMP1
50015502	3	ChEMBL_429672 (CHEMBL919966)	Inhibition of MMP13
50045321	1	ChEMBL_1454104 (CHEMBL3362589)	Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry
50045322	1	ChEMBL_1454976 (CHEMBL3364919)	Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assay
50045323	1	ChEMBL_1455831 (CHEMBL3361924)	Inhibition of porcine brain tubulin polymerization after 60 mins
50015504	10	ChEMBL_429712 (CHEMBL904286)	Inhibition of SYK
50015504	9	ChEMBL_429711 (CHEMBL904285)	Inhibition of LCK
50015504	4	ChEMBL_429706 (CHEMBL904280)	Inhibition of MK2
50015504	7	ChEMBL_429695 (CHEMBL904269)	Inhibition of human p38-alpha expressed in Escherichia coli
50015504	12	ChEMBL_429714 (CHEMBL904288)	Inhibition of KDR
50015504	11	ChEMBL_429713 (CHEMBL904287)	Inhibition of Zap70
50015504	3	ChEMBL_429707 (CHEMBL904281)	Inhibition of JAK3
50015504	5	ChEMBL_429709 (CHEMBL904283)	Inhibition of PKCdelta
50015504	1	ChEMBL_429705 (CHEMBL904279)	Inhibition of human IKK2beta
50015504	2	ChEMBL_429704 (CHEMBL904278)	Inhibition of human p38beta
50015505	1	ChEMBL_429720 (CHEMBL904294)	Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay
50015507	1	ChEMBL_429743 (CHEMBL914443)	Inhibition of mitogen-activated protein kinase p38 alpha
50015508	1	ChEMBL_429751 (CHEMBL914451)	Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes
50015508	2	ChEMBL_429753 (CHEMBL914453)	Displacement of [3H]ketanserin from histamine H2 receptor in human cortex membranes
50045324	1	ChEMBL_1455839 (CHEMBL3361932)	Inhibition of human FLT D835Y mutant using 10 uM ATP
50045324	2	ChEMBL_1455834 (CHEMBL3361927)	Inhibition of human FLT3 using 10 uM ATP
50045325	1	ChEMBL_1455849 (CHEMBL3362303)	Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically
50045325	2	ChEMBL_1455848 (CHEMBL3362302)	Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically
50015510	1	ChEMBL_429830 (CHEMBL915411)	Inhibition of dimerization of HIV1 protease
50015510	2	ChEMBL_429828 (CHEMBL915409)	Inhibition of HIV1 protease
50045326	1	ChEMBL_1457721 (CHEMBL3369491)	Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by fluorescent assay
50045327	1	ChEMBL_1458649 (CHEMBL3367443)	Inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation after 30 mins by spectrophotometry
50045327	2	ChEMBL_1458651 (CHEMBL3367445)	Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by Lineweaver-Burk plot
50045327	3	ChEMBL_1458654 (CHEMBL3367448)	Mixed-type inhibition of bovine xanthine oxidase assessed as inhibition of uric acid formation by secondary Lineweaver-Burk plot
50045328	1	ChEMBL_1459487 (CHEMBL3368823)	Inhibition of LRRK2 G2019S mutant (unknown origin) using fluorescein-labeled peptide LRRKtide as substrate by LANTHA screen assay in presence of 1 mM ATP
50045328	2	ChEMBL_1459488 (CHEMBL3368824)	Inhibition of GST-tagged truncated LRRK2 (unknown origin) using fluorescein-labeled peptide LRRKtide as substrate by LANTHA screen assay in presence of 50 uM ATP
50045328	3	ChEMBL_1458657 (CHEMBL3367451)	Inhibition of phosphorylation at S935 residue of wild-type full-length LRRK2 kinase (unknown origin) expressed in HEK 293 cells after 90 mins by ELISA
50045328	4	ChEMBL_1458656 (CHEMBL3367450)	Inhibition of GST-tagged truncated LRRK2 (unknown origin) using fluorescein-labeled peptide LRRKtide as substrate by LANTHA screen assay in presence of 1 mM ATP
50045329	1	ChEMBL_1459507 (CHEMBL3369059)	Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting method
50024496	1	ChEMBL_481543 (CHEMBL999263)	Inhibition of human CYP3A4
50015515	3	ChEMBL_306744 (CHEMBL830074)	Binding of [125I]RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type 5
50015515	1	ChEMBL_306021 (CHEMBL833536)	Inhibitory concentration against human Muscarinic acetylcholine receptor M1
50015515	2	ChEMBL_305882 (CHEMBL832745)	Inhibitory concentration against human 5-hydroxytryptamine 2A receptor
50015519	4	ChEMBL_306435 (CHEMBL828248)	Mean inhibitory concentration against human peroxisome proliferator-activated receptor delta
50015519	2	ChEMBL_306467 (CHEMBL828707)	Mean inhibitory concentration against human peroxisome proliferator activated receptor alpha
50015519	1	ChEMBL_304326 (CHEMBL829298)	Mean effective concentration against human peroxisome proliferator-activated receptor gamma
50015519	5	ChEMBL_304321 (CHEMBL829293)	Mean effective concentration against human peroxisome proliferator activated receptor alpha
50015519	3	ChEMBL_306500 (CHEMBL828105)	Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma
50015520	1	ChEMBL_310624 (CHEMBL837346)	Effective concentration which exhibit agonistic activity at metabotropic glutamate 4 receptor stably expressed in AV12 cells
50015524	1	ChEMBL_306878 (CHEMBL828684)	In vitro inhibition of taurocholate binding to liver bile acid transporter expressed in CHO cells
50015525	4	ChEMBL_302922 (CHEMBL830381)	Binding affinity value against urokinase plasminogen activator
50015525	3	ChEMBL_302869 (CHEMBL876364)	Binding affinity value against Tissue plasminogen activator
50015525	2	ChEMBL_302472 (CHEMBL826337)	Binding affinity value against plasmin
50015525	1	ChEMBL_302473 (CHEMBL826338)	Binding affinity value against trypsin
50045330	1	ChEMBL_1460307 (CHEMBL3370462)	Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay
50015527	1	ChEMBL_303653 (CHEMBL829001)	Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expressed in Escherichia coli
50015528	2	ChEMBL_305959 (CHEMBL831972)	Inhibition of binding to recombinant human estrogen receptor beta
50015528	1	ChEMBL_305993 (CHEMBL832667)	Inhibition of bindign to recombinant human estrogen receptor alpha
50045330	2	ChEMBL_1460308 (CHEMBL3370463)	Inhibition of human Nav1.5 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay
50045330	3	ChEMBL_1460310 (CHEMBL3370465)	Inhibition of human Nav1.7 channel expressed in HEK293 cells by whole cell voltage clamp technique
50045330	4	ChEMBL_1460311 (CHEMBL3370466)	Inhibition of human Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique
50045331	1	ChEMBL_1460336 (CHEMBL3370491)	Inhibition of human carbonic anhydrase using p-nitrophenylacetate as substrate preincubated for 10 mins before substrate addition by spectrophotometry
50015530	2	ChEMBL_305484 (CHEMBL830275)	Inhibitory concentration against cruzain of Trypanosoma cruzi
50015530	1	ChEMBL_305932 (CHEMBL833479)	Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience
50045331	2	ChEMBL_1460338 (CHEMBL3370493)	Binding affinity to anthrax lethal factor
50015531	2	ChEMBL_306201 (CHEMBL830159)	Inhibitory concentration of the compound was determined against neuraminidase B (B/Memphis/3/89) of Influenza virus
50015531	1	ChEMBL_306133 (CHEMBL833072)	Inhibitory concentration against neuraminidase A(A/Tokyo/3/67) of Influenza virus
50015531	3	ChEMBL_306151 (CHEMBL832339)	Inhibitory concentration against neuraminidase A (A/Tokyo/3/67) of Influenza virus
50045332	1	ChEMBL_1447156 (CHEMBL3376213)	Inhibition of recombinant human sEH using CMNPC substrate by fluoresecent-based assay
50015532	1	ChEMBL_305393 (CHEMBL833043)	Inhibitory concentration against HIV aspartyl protease
50015533	2	ChEMBL_306386 (CHEMBL828727)	Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells
50015533	1	ChEMBL_306387 (CHEMBL828728)	Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells
50015535	3	ChEMBL_305821 (CHEMBL829564)	Inhibition of Bovine geranylgeranyl transferase
50015535	1	ChEMBL_306020 (CHEMBL833535)	Inhibition of Farnesyl transferase inhibitor (ABT-839)
50015535	4	ChEMBL_305598 (CHEMBL828044)	Inhibition of Bovine farnesyl transferase
50015535	2	ChEMBL_305564 (CHEMBL828583)	Inhibition of Bovine farnesyl transferase
50015535	5	ChEMBL_305787 (CHEMBL827975)	Inhibition of Bovine geranylgeranyl transferase
50045333	1	ChEMBL_1448074 (CHEMBL3371979)	Agonist activity at human androgen receptor expressed in mouse C2C12 cells by androgen-specific response element-driven luciferase reporter gene assay
50045333	2	ChEMBL_1448081 (CHEMBL3371986)	Displacement of [3H]DHT from androgen receptor in human MDA-MB-435 cells after 30 mins
50045333	3	ChEMBL_1448082 (CHEMBL3371987)	Binding affinity to glucocorticoid receptor (unknown origin) incubated for 4 hrs
50045333	4	ChEMBL_1448083 (CHEMBL3371988)	Binding affinity to progesterone receptor (unknown origin) incubated for 4 hrs
50045333	5	ChEMBL_1448084 (CHEMBL3371989)	Binding affinity to estrogen receptor (unknown origin) incubated for 4 hrs
50045334	1	ChEMBL_1448896 (CHEMBL3375098)	Inhibition of TCPTP (unknown origin)
50045334	2	ChEMBL_1448899 (CHEMBL3375101)	Inhibition of LAR (unknown origin)
50045334	3	ChEMBL_1448898 (CHEMBL3375100)	Inhibition of SHP2 (unknown origin)
50045334	4	ChEMBL_1448895 (CHEMBL3375097)	Inhibition of Cdc25B (unknown origin)
50045334	5	ChEMBL_1448897 (CHEMBL3375099)	Inhibition of SHP1 (unknown origin)
50045334	6	ChEMBL_1448900 (CHEMBL3375102)	Inhibition of PTP1B (unknown origin)
50015542	1	ChEMBL_305391 (CHEMBL833042)	Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex
50045335	1	ChEMBL_1448918 (CHEMBL3375685)	Inhibition of PHOSPHO1 phosphoethanolamine activity (unknown origin) assessed as amount of inorganic phosphate release after 30 mins
50045335	2	ChEMBL_1448920 (CHEMBL3375687)	Inhibition of PMM2 (unknown origin)
50015549	1	ChEMBL_305242 (CHEMBL833500)	Inhibitory concentration against tubulin assembly
50015550	2	ChEMBL_429941 (CHEMBL916265)	Activity at human ERalpha expressed in HAECT1 cells assessed as stimulation of creatine kinase activity
50015550	1	ChEMBL_429939 (CHEMBL916819)	Activity at human ERalpha expressed in HAECT1 cells assessed as inhibition of NF-kappaB transcription
50015550	3	ChEMBL_429971 (CHEMBL917701)	Displacement of [3H]E2 from ERalpha ligand binding domain
50015550	4	ChEMBL_429972 (CHEMBL917702)	Displacement of [3H]E2 from ERbeta ligand binding domain
50015551	6	ChEMBL_429974 (CHEMBL917704)	Antagonist activity at bradykinin B1 receptor expressed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calcium level by FLIPR assay
50015551	5	ChEMBL_429973 (CHEMBL917703)	Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expressed in CHO cells
50015551	2	ChEMBL_429982 (CHEMBL917712)	Binding affinity to rabbit bradykinin B1 receptor
50015551	4	ChEMBL_429981 (CHEMBL917711)	Displacement of [3H]des-arg10 kallidin from rat bradykinin B1 receptor expressed in CHO cells
50015551	1	ChEMBL_429983 (CHEMBL917713)	Activity at rabbit bradykinin B1 receptor assessed by FLIPR assay
50015551	3	ChEMBL_429986 (CHEMBL917716)	Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO cells
50045335	3	ChEMBL_1448919 (CHEMBL3375686)	Inhibition of phosphomannose isomerase (unknown origin)
50015554	1	ChEMBL_430008 (CHEMBL916261)	Inhibition of human caspase 3 expressed in Escherichia coli
50015556	1	ChEMBL_430015 (CHEMBL917191)	Inhibition of human telomerase from HEK293 cell extracts by Flash-Plate assay
50045335	4	ChEMBL_1448917 (CHEMBL3375684)	Inhibition of TNAP (unknown origin)
50045335	5	ChEMBL_1448940 (CHEMBL3375707)	Inhibition of NPP1 (unknown origin)
50045336	1	ChEMBL_1448947 (CHEMBL3376294)	Inhibition of EphA2 (unknown origin) pre-incubated with enzyme for 10 mins before adding peptide substrate and ATP using TK-substrate-biotin and SEB by time-resolved fluorescence resonance energy transfer assay
50045337	1	ChEMBL_1450565 (CHEMBL3372143)	Antagonist activity against D3R in human U2OS cells assessed as inhibition of (+)-PD128907-induced beta-arrestin translocation by beta-galactosidase based beta-arrestin recruitment assay
50045337	2	ChEMBL_1450566 (CHEMBL3372144)	Antagonist activity against human D2LR expressed in CHOK1 cells assessed as inhibition of pergolide-induced beta-arrestin translocation by beta-galactosidase based beta-arrestin recruitment assay
50015559	1	ChEMBL_430033 (CHEMBL917209)	Inhibition of human recombinant AChE
50015563	1	ChEMBL_430069 (CHEMBL918671)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells
50015563	2	ChEMBL_430067 (CHEMBL918669)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50015563	3	ChEMBL_430072 (CHEMBL918094)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells
50015564	3	ChEMBL_430082 (CHEMBL917185)	Agonistic activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked twitch
50015564	4	ChEMBL_430084 (CHEMBL918105)	Agonistic activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked twitch
50015564	1	ChEMBL_430080 (CHEMBL918102)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain synaptosomes P2 fraction
50015564	2	ChEMBL_430079 (CHEMBL918101)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain synaptosomes P2 fraction
50015565	1	ChEMBL_430085 (CHEMBL918106)	Inhibition of Escherichia coli TEM1
50015565	3	ChEMBL_430087 (CHEMBL918108)	Inhibition of Bacteroides fragilis CcrA
50015565	2	ChEMBL_430086 (CHEMBL918107)	Inhibition of Enterobacter cloacae AmpC
50015566	1	ChEMBL_430105 (CHEMBL919583)	Inhibition of human leucocyte elastase
50015566	2	ChEMBL_430106 (CHEMBL919584)	Inhibition of human cathepsin B
50015568	1	ChEMBL_430114 (CHEMBL919592)	Inhibition of human DNA polymerase beta
50045337	3	ChEMBL_1450571 (CHEMBL3372149)	Antagonist activity against human D3R expressed in CHO cells assessed as inhibition of dopamine-induced [35S]GTPgammaS binding by dopamine potency shift assay
50045337	4	ChEMBL_1450572 (CHEMBL3372150)	Antagonist activity against human D2LR expressed in CHO cells assessed as inhibition of dopamine-induced [35S]GTPgammaS binding by dopamine potency shift assay
50045337	5	ChEMBL_1449822 (CHEMBL3379351)	Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method
50045337	6	ChEMBL_1449821 (CHEMBL3379350)	Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method
50015570	1	ChEMBL_430134 (CHEMBL919612)	Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 cells
50015570	4	ChEMBL_430137 (CHEMBL919046)	Activity at 5HT7 receptor assessed as relaxation of substance P-induced contraction of Dunkin-Hartley guinea pig ileum
50015570	2	ChEMBL_430135 (CHEMBL919613)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal membranes
50015570	3	ChEMBL_430136 (CHEMBL919045)	Displacement of [3H]ketanserin from 5HT2A receptor in Wistar Han rat cortex membranes
50045337	7	ChEMBL_1449824 (CHEMBL3379353)	Displacement of [125I]IABN from wild type human D3R expressed in HEK293 cell membranes by gamma counting method
50045337	8	ChEMBL_1449825 (CHEMBL3379354)	Displacement of [125I]IABN from wild type human D2R expressed in HEK293 cell membranes by gamma counting method
50045337	9	ChEMBL_1449826 (CHEMBL3379896)	Displacement of [125I]IABN from chimeric human D3 receptor possessing extracellular loop II of D2 receptor expressed in HEK293 cell membranes by gamma counting method
50045337	10	ChEMBL_1449827 (CHEMBL3379897)	Displacement of [125I]IABN from chimeric human D2 receptor possessing extracellular loop II of D3 receptor expressed in HEK293 cell membranes by gamma counting method
50045337	11	ChEMBL_1449828 (CHEMBL3379898)	Displacement of [125I]IABN from human D3R S182I mutant expressed in HEK293 cell membranes by gamma counting method
50045337	12	ChEMBL_1449829 (CHEMBL3379899)	Displacement of [125I]IABN from human D3R E90A mutant expressed in HEK293 cell membranes by gamma counting method
50045337	13	ChEMBL_1449830 (CHEMBL3379900)	Displacement of [125I]IABN from human D3R E90Q mutant expressed in HEK293 cell membranes by gamma counting method
50045337	14	ChEMBL_1449833 (CHEMBL3379903)	Antagonist activity against human D3R expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs by [3H]thymidine uptake assay
50045337	15	ChEMBL_1449834 (CHEMBL3379904)	Antagonist activity against human D2R expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs by [3H]thymidine uptake assay
50015576	4	ChEMBL_302725 (CHEMBL839595)	Binding affinity for androgen receptor in human MDA-453 cells
50015576	2	ChEMBL_317562 (CHEMBL825228)	Binding affinity for mutant T877A Androgen receptor in human LNCaP cells
50015576	1	ChEMBL_305503 (CHEMBL831105)	Inhibition of androgen receptor in human MDA-453 cells
50015576	3	ChEMBL_312787 (CHEMBL833436)	Inhibition of androgen dependent human prostate cancer cell MDA-MB-PCa2b proliferation
50015576	5	ChEMBL_317578 (CHEMBL877304)	Inhibition of mutant T877A Androgen receptor in human LNCaP cells
50015577	2	ChEMBL_304960 (CHEMBL827838)	Inhibitory concentration against the Flap endonuclease-1
50015577	1	ChEMBL_305129 (CHEMBL832425)	Inhibitory concentration against the xeroderma pigmentosum G
50045338	1	ChEMBL_1450581 (CHEMBL3372159)	Inhibition of recombinant human PDE4D3 expressed in baculoviral system
50015588	2	ChEMBL_305212 (CHEMBL832465)	Inhibitory concentration against Butyrylcholinesterase activity
50015588	1	ChEMBL_302551 (CHEMBL828252)	Binding affinity for Acetylcholinesterase
50015588	3	ChEMBL_305184 (CHEMBL832772)	Inhibitory concentration against Acetylcholinesterase activity
50015589	1	ChEMBL_305706 (CHEMBL827221)	In vitro inhibition of human Peroxisome proliferator activated receptor delta
50015589	2	ChEMBL_305705 (CHEMBL827220)	In vitro inhibition of human Peroxisome proliferator activated receptor alpha
50015589	3	ChEMBL_305707 (CHEMBL827222)	In vitro inhibition of human Peroxisome proliferator activated receptor gamma
50045338	2	ChEMBL_1450582 (CHEMBL3372160)	Inhibition of PDE4B2 (unknown origin)
50045339	1	ChEMBL_1450588 (CHEMBL3372166)	Displacement of [125I]glucagon from glucagon receptor in rat hepatocyte membranes after 30 mins by gamma-counting
50045339	2	ChEMBL_1450589 (CHEMBL3372167)	Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in rat hepatocytes after 15 mins by cAMP dynamic2 assay
50045339	3	ChEMBL_1450591 (CHEMBL3372712)	Inhibition of glucagon-induced glucagon receptor-mediated cAMP production in human hepatocytes after 15 mins by cAMP dynamic2 assay
50045339	4	ChEMBL_1450592 (CHEMBL3372713)	Inhibition of GLP-1R (unknown origin)
50045339	5	ChEMBL_1450593 (CHEMBL3372714)	Inhibition of human ERG
50045339	6	ChEMBL_1450605 (CHEMBL3372726)	Antagonist activity against human glucagon receptor
50045340	1	ChEMBL_1451456 (CHEMBL3364305)	Inhibition of human DHFR
50045340	2	ChEMBL_1451455 (CHEMBL3364304)	Inhibition of DHFR activity of Cryptosporidium hominis bifunctional dihydrofolate reductase-thymidylate synthase assessed as reduction in NADPH oxidation to NAD
50045340	3	ChEMBL_1451454 (CHEMBL3364303)	Inhibition of human thymidylate synthase
50045340	4	ChEMBL_1451452 (CHEMBL3364301)	Inhibition of thymidylate synthase activity of Cryptosporidium hominis bifunctional dihydrofolate reductase-thymidylate synthase assessed as reduction in conversion of dUMP and CH2H4F to products dTMP and H2F
50045341	1	ChEMBL_1451468 (CHEMBL3364317)	Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 metabolite level after 1 hr by HTRF assay
50045342	1	ChEMBL_1451472 (CHEMBL3364651)	Inhibition of CETP-mediated [3H]-CE from HDL to LDL in human plasma
50045343	1	ChEMBL_1451485 (CHEMBL3364664)	Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate
50045343	2	ChEMBL_1451486 (CHEMBL3364665)	Inhibition of human telomerase transfected in human HEK293T cells assessed as DNA extension using 5'-d(AATCCGTCGAGCAGAGTT)-3' substrate by Real-time quantitative telomeric repeat amplification protocol
50045344	1	ChEMBL_1452359 (CHEMBL3361665)	Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ion level after 18 hrs by fluorescence-based FDSS6000 assay
50015592	1	ChEMBL_305784 (CHEMBL827973)	Inhibitory concentration against Gamma-secretase in whole cell inhibition assay using SH-SY5Y cells
50015593	5	ChEMBL_303182 (CHEMBL829676)	Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD
50015593	6	ChEMBL_312778 (CHEMBL833427)	Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor
50015593	8	ChEMBL_303336 (CHEMBL840152)	Binding affinity against human cloned 5-hydroxytryptamine 1A receptor stably expressed in CHO cells using [3H]5-HT
50015593	1	ChEMBL_303263 (CHEMBL876383)	Binding affinity against human cloned Dopamine receptor D2 stably expressed in CHO-K1 cells using [3H]spiperone
50015593	9	ChEMBL_303337 (CHEMBL840153)	Binding affinity against human cloned 5-hydroxytryptamine 2A receptor stably expressed in CHO cells using [125I]DOI
50015593	4	ChEMBL_303278 (CHEMBL828271)	Binding affinity against human cloned 5-hydroxytryptamine 7 receptor stably expressed in CHO cells using [3H]LSD
50015593	2	ChEMBL_303264 (CHEMBL828258)	Binding affinity against human cloned Dopamine receptor D3 stably expressed in CHO-K1 cells using [3H]spiperone
50015593	7	ChEMBL_303338 (CHEMBL840154)	Binding affinity against human cloned 5-hydroxytryptamine 2C receptor stably expressed in CHO cells using [3H]-5-HT
50015593	3	ChEMBL_303265 (CHEMBL828259)	Binding affinity against human cloned Dopamine receptor D4 stably expressed in CHO-K1 cells using [3H]spiperone
50015594	1	ChEMBL_306239 (CHEMBL830336)	In vitro inhibitory concentration against human Acyl coenzyme A:cholesterol acyltransferase 1 expressed in Hi5 cells
50015594	2	ChEMBL_306240 (CHEMBL830337)	In vitro inhibitory concentration against human Acyl coenzyme A:cholesterol acyltransferase 2 expressed in Hi5 cells
50015595	3	ChEMBL_303028 (CHEMBL830415)	Inhibition of [3H]DHT binding to androgen receptor of MDA-453 cells
50015595	2	ChEMBL_303055 (CHEMBL828881)	Inhibition of [3H]-DHT binding to T877A androgen receptor of LNCaP cells
50015595	1	ChEMBL_312710 (CHEMBL837993)	Inhibition of T877A androgen receptor of human prostate cancer cells in reporter gene assay
50015595	4	ChEMBL_312999 (CHEMBL873340)	Inhibition of L701H/T877A mutant androgen receptor of human prostate cancer MDAMB-PCa2b cell proliferation
50045344	2	ChEMBL_1452362 (CHEMBL3361668)	Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch-clamp assay
50045345	1	ChEMBL_1452390 (CHEMBL3361696)	Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition
50015601	1	ChEMBL_303554 (CHEMBL828954)	Inhibition of [125I]Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells
50045345	2	ChEMBL_1452391 (CHEMBL3361697)	Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay
50045346	1	ChEMBL_1453267 (CHEMBL3365905)	Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method
50015605	2	ChEMBL_312359 (CHEMBL837472)	Inhibitory activity against voltage-gated potassium channel subunit Kv1.3 of human T cells
50015605	3	ChEMBL_312673 (CHEMBL834820)	Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cells
50015605	1	ChEMBL_312032 (CHEMBL834727)	Inhibitory activity against voltage-gated potassium channel subunit Kv1.3
50015606	1	ChEMBL_304931 (CHEMBL826961)	Inhibitory concentration against glycogen phosphorylase
50015606	2	ChEMBL_304973 (CHEMBL829306)	Inhibitory concentration against glycogen phosphorylase
50015608	1	ChEMBL_430238 (CHEMBL914477)	Binding affinity to GHSR
50015608	5	ChEMBL_430246 (CHEMBL914485)	Inhibition of hERG receptor
50015608	2	ChEMBL_430239 (CHEMBL914478)	Antagonist activity at GHSR expressed in CHOK cells assessed as inhibition of ghrelin-induced increase in intracellular calcium level
50015609	10	ChEMBL_430267 (CHEMBL913893)	Inhibition of CDK2
50015609	13	ChEMBL_430264 (CHEMBL914503)	Inhibition of FGFR1 kinase
50015609	4	ChEMBL_430273 (CHEMBL913899)	Inhibition of MK2
50015609	17	ChEMBL_430259 (CHEMBL914498)	Inhibition of c-kit
50015609	7	ChEMBL_430266 (CHEMBL914505)	Inhibition of VEGFR2 kinase
50015609	2	ChEMBL_430271 (CHEMBL913897)	Inhibition of IGF1R kinase
50015609	6	ChEMBL_430275 (CHEMBL913901)	Inhibition of PKCdelta
50015609	20	ChEMBL_430258 (CHEMBL914497)	Inhibition of yes kinase
50015609	16	ChEMBL_430260 (CHEMBL914499)	Inhibition of PDGFRbeta
50015609	22	ChEMBL_430256 (CHEMBL914495)	Inhibition of src kinase
50015609	21	ChEMBL_430257 (CHEMBL914496)	Inhibition of lck inase
50015609	12	ChEMBL_430263 (CHEMBL914502)	Inhibition of Her2 kinase
50015609	1	ChEMBL_430270 (CHEMBL913896)	Inhibition of FAK
50015609	18	ChEMBL_430277 (CHEMBL913903)	Inhibition of PKCzeta
50045346	2	ChEMBL_1453284 (CHEMBL3366233)	Binding affinity to 5-HT6 (unknown origin)
50015609	15	ChEMBL_430262 (CHEMBL914501)	Inhibition of Her1 kinase
50015610	4	ChEMBL_430294 (CHEMBL913920)	Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
50015610	5	ChEMBL_430297 (CHEMBL913923)	Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cells
50015610	3	ChEMBL_430295 (CHEMBL913921)	Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cells
50015610	6	ChEMBL_430296 (CHEMBL913922)	Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cells
50015610	2	ChEMBL_430300 (CHEMBL913926)	Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50015610	7	ChEMBL_430293 (CHEMBL913919)	Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
50015610	1	ChEMBL_430301 (CHEMBL913927)	Activity at human S1P3 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50015613	1	ChEMBL_430370 (CHEMBL914875)	Inhibition of human AICAR Tfase
50045346	3	ChEMBL_1453283 (CHEMBL3366232)	Binding affinity to 5-HT5A (unknown origin)
50045346	4	ChEMBL_1453282 (CHEMBL3366231)	Binding affinity to 5-HT3 (unknown origin)
50045346	5	ChEMBL_1453277 (CHEMBL3366226)	Binding affinity to 5-HT1A (unknown origin)
50045346	6	ChEMBL_1453278 (CHEMBL3366227)	Binding affinity to 5-HT1B (unknown origin)
50045346	7	ChEMBL_1453279 (CHEMBL3366228)	Binding affinity to 5-HT1D (unknown origin)
50045346	8	ChEMBL_1453280 (CHEMBL3366229)	Binding affinity to 5-HT2A (unknown origin)
50045346	9	ChEMBL_1453281 (CHEMBL3366230)	Binding affinity to 5-HT2C (unknown origin)
50045347	1	ChEMBL_1454116 (CHEMBL3362601)	Inhibition of Streptococcus mutans agmatine deiminase expressed in Escherichia coli pre-incubated for 15 mins before agmatine substrate addition
50045348	1	ChEMBL_1454117 (CHEMBL3362602)	Inhibition of recombinant MraY overexpressed in Escherichia coli membranes by continuous fluorescence assay
50045349	1	ChEMBL_1454138 (CHEMBL3362905)	Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 using dsDNA by microplate reader based assay
50045349	2	ChEMBL_1454137 (CHEMBL3362904)	Inhibition of HIV reverse transcriptase
50045350	1	ChEMBL_1455915 (CHEMBL3365346)	Inhibition of SRPK1 kinase (unknown origin)
50045351	1	ChEMBL_1456829 (CHEMBL3367562)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry
50045351	2	ChEMBL_1456828 (CHEMBL3367561)	Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry
50015617	2	ChEMBL_430394 (CHEMBL916378)	Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA
50015617	1	ChEMBL_430393 (CHEMBL916377)	Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA
50015617	5	ChEMBL_430404 (CHEMBL916388)	Displacement of [11,12-3H]ARTA from RARalpha
50015617	4	ChEMBL_430405 (CHEMBL916389)	Displacement of [11,12-3H]ARTA from RARbeta
50015617	3	ChEMBL_430395 (CHEMBL916379)	Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA
50015620	2	ChEMBL_430458 (CHEMBL916302)	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated PGE2 production
50045352	4	ChEMBL_1456833 (CHEMBL3367566)	Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method
50045352	3	ChEMBL_1456832 (CHEMBL3367565)	Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method
50015622	2	ChEMBL_430467 (CHEMBL916311)	Inhibition of human CYP2C19
50015622	1	ChEMBL_430469 (CHEMBL916313)	Inhibition of human CYP2C9
50015624	4	ChEMBL_430483 (CHEMBL917732)	Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production
50015624	6	ChEMBL_430488 (CHEMBL917737)	Displacement of [125]NDP-MSH from human MC5 receptor expressed in HEK293 cells
50015624	5	ChEMBL_430485 (CHEMBL917734)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as stimulation of cAMP production
50015624	3	ChEMBL_430486 (CHEMBL917735)	Displacement of [125]NDP-MSH from human MC1 receptor expressed in HEK293 cells
50015624	2	ChEMBL_430502 (CHEMBL917751)	Agonist activity at human MC4 D122A mutant expressed in HEK293 cells assessed as stimulation of cAMP production
50015626	1	ChEMBL_430510 (CHEMBL917759)	Binding affinity to rat MCH1 receptor
50045353	1	ChEMBL_1457783 (CHEMBL3369800)	Inhibition of bovine brain tubulin polymerization by fluorescence analysis
50045354	1	ChEMBL_1459565 (CHEMBL3369365)	Displacement of [3H]astemizole from human ERG
50045354	2	ChEMBL_1459573 (CHEMBL3369373)	Binding affinity to human ERG
50045354	3	ChEMBL_1459556 (CHEMBL3369356)	Binding affinity to human mu opioid receptor expressed in CHO cells
50045354	4	ChEMBL_1459557 (CHEMBL3369357)	Binding affinity to human kappa opioid receptor expressed in CHO cells
50045354	5	ChEMBL_1459558 (CHEMBL3369358)	Binding affinity to human delta opioid receptor expressed in CHO cells
50015631	1	ChEMBL_420030 (CHEMBL854698)	Inhibition of human JNK2
50015631	2	ChEMBL_420032 (CHEMBL854700)	Inhibition of human JNK3
50015633	2	ChEMBL_430655 (CHEMBL919620)	Antagonist activity at human homomeric GluR5 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	6	ChEMBL_430652 (CHEMBL919617)	Antagonist activity at rat homomeric recombinant GluR2 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	7	ChEMBL_430653 (CHEMBL919618)	Antagonist activity at rat homomeric recombinant GluR3 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	1	ChEMBL_430654 (CHEMBL919619)	Antagonist activity at rat homomeric recombinant GluR4 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	3	ChEMBL_430656 (CHEMBL919621)	Antagonist activity at human homomeric GluR6 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	5	ChEMBL_430651 (CHEMBL919616)	Antagonist activity at rat homomeric recombinant GluR1 expressed in HEK293 cells assessed as inhibition of intracellular calcium concentration by FLIPR assay
50015633	4	ChEMBL_430657 (CHEMBL919622)	Displacement of [3HATPA from human recombinant GluR5
50015634	2	ChEMBL_430664 (CHEMBL919632)	Inhibition of RFC-mediated [3H]MTX influx into human CCRF-CEM cells
50015634	1	ChEMBL_430663 (CHEMBL919631)	Inhibition of human DHFR
50024533	1	ChEMBL_481827 (CHEMBL954509)	Inhibition of sulfhydryl-labeled human recombinant Akt1 expressed in baculovirus by affinity capillary electrophoresis assay
50024533	2	ChEMBL_481828 (CHEMBL955241)	Inhibition of sulfhydryl-labeled human recombinant Akt1 expressed in baculovirus assessed as phosphorylation of recombinant Bad protein by Western blotting
50024541	1	ChEMBL_481862 (CHEMBL955274)	Inhibition of MK2
50045355	1	ChEMBL_1459580 (CHEMBL3369615)	Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting
50045355	2	ChEMBL_1459579 (CHEMBL3369614)	Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting
50045356	1	ChEMBL_1448968 (CHEMBL3376315)	Inhibition of Staphylococcus aureus GyrB assessed reduction in DNA supercoiling activity by malachite green dye based by spectrophotometry
50045356	2	ChEMBL_1448969 (CHEMBL3376316)	Inhibition of Staphylococcus aureus ParE
50045356	3	ChEMBL_1448970 (CHEMBL3376317)	Inhibition of Escherichia coli ParE
50045357	1	ChEMBL_1448972 (CHEMBL3376319)	Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay
50045357	2	ChEMBL_1448973 (CHEMBL3376320)	Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay
50045358	1	ChEMBL_1448995 (CHEMBL3376892)	Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level incubated for 1 hr using 5 uM GnGnbi-PA acceptor substrate and 0.5 to 4 mM UDP-GlcNAc donor substrate by reverse phase HPLC method
50045358	2	ChEMBL_1448996 (CHEMBL3376893)	Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level incubated for 1 hr using 2.5 to 10 uM GnGnbi-PA acceptor substrate and 20 mM UDP-GlcNAc donor substrate by reverse phase HPLC method
50045359	1	ChEMBL_1448997 (CHEMBL3376894)	Inhibition of bovine liver DHFR
50045360	1	ChEMBL_1449888 (CHEMBL3380577)	Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
50045360	2	ChEMBL_1449889 (CHEMBL3380578)	Inhibition of mTOR (unknown origin) assessed as inhibition of 4EBP-1 phosphorylation preincubated for 15 mins before substrate addition by TR-FRET assay
50045361	1	ChEMBL_1449896 (CHEMBL3380585)	Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promoter-driven PLAP reporter gene assay
50045362	1	ChEMBL_1450642 (CHEMBL3362706)	Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
50045362	2	ChEMBL_1450647 (CHEMBL3362711)	Inhibition of wild type HIV1 reverse transcriptase K65R mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
50045362	3	ChEMBL_1450649 (CHEMBL3362713)	Inhibition of wild type HIV1 reverse transcriptase E89T mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
50015644	3	ChEMBL_306145 (CHEMBL831380)	Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids
50015644	4	ChEMBL_306025 (CHEMBL829951)	Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells
50015644	1	ChEMBL_306773 (CHEMBL831870)	Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes
50015644	2	ChEMBL_306302 (CHEMBL828594)	Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells
50045362	4	ChEMBL_1450651 (CHEMBL3362715)	Inhibition of wild type HIV1 reverse transcriptase M184V mutant assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
50045363	1	ChEMBL_1451533 (CHEMBL3365054)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Argaminomethylcoumarin as fluorogenic substrate preincubated for 10 mins before substrate addition by fluorimetry
50045364	1	ChEMBL_1452411 (CHEMBL3362073)	Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay
50045365	1	ChEMBL_1452414 (CHEMBL3362076)	Inhibition of his-tagged active RSK2 (unknown origin) expressed in Sf9 cells after 10 to 45 mins by ELISA
50045366	1	ChEMBL_1452420 (CHEMBL3362082)	Inhibition of ovine COX2 assessed as reduction in PGH2 production using arachidonic acid substrate by enzyme immunoassay
50045366	2	ChEMBL_1452419 (CHEMBL3362081)	Inhibition of ovine COX1 assessed as reduction in PGH2 production using arachidonic acid substrate by enzyme immunoassay
50045367	1	ChEMBL_1452422 (CHEMBL3362084)	Inhibition of human MoGAT-2 expressed in human Caco2 cells assessed as inhibition of 2-O-Hexadecylglycerol hydrolysis pretreated for 30 mins by LC-MS analysis
50045368	1	ChEMBL_1452425 (CHEMBL3362087)	Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay
50045368	2	ChEMBL_1452426 (CHEMBL3362088)	Modulator activity at GAL4-tagged human RORgammat ligand binding domain expressed HEK293T cells by luciferase reporter gene assay
50045370	1	ChEMBL_1456925 (CHEMBL3368142)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay
50045370	2	ChEMBL_1456924 (CHEMBL3368141)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay
50045370	3	ChEMBL_1456926 (CHEMBL3368143)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay
50045370	4	ChEMBL_1456927 (CHEMBL3368144)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay
50015646	2	ChEMBL_303174 (CHEMBL829668)	In vitro binding affinity against human phenylethanolamine N-Methyltransferase
50015647	1	ChEMBL_302754 (CHEMBL838701)	Binding affinity for human adenosine A3 receptor
50045371	1	ChEMBL_1460987 (CHEMBL3394962)	Inhibition of multidrug resistant HIV-1 protease L10I/L63P/A71V/G73S/I84V/L90M mutant using fluorogenic peptide substrate incubated for 30 mins prior to substrate addition measured after 10 mins by FRET assay
50045371	2	ChEMBL_1460986 (CHEMBL3394961)	Inhibition of wild-type HIV-1 protease using fluorogenic peptide substrate incubated for 30 mins prior to substrate addition measured after 10 mins by FRET assay
50045372	1	ChEMBL_1461003 (CHEMBL3394978)	Binding affinity to Plasmodium falciparum 3D7 AMA1 F367W mutant expressed in Escherichia coli BL21(DE3) at 1 and 3 mM by SPR analysis
50045372	2	ChEMBL_1461002 (CHEMBL3394977)	Binding affinity to Plasmodium falciparum 3D7 AMA1 373W insertion mutant expressed in Escherichia coli BL21(DE3) by SPR analysis
50045372	3	ChEMBL_1461001 (CHEMBL3394976)	Binding affinity to Plasmodium falciparum 3D7 AMA1 (108 to 434) expressed in Escherichia coli BL21(DE3) by SPR analysis
50045373	1	ChEMBL_1461017 (CHEMBL3395075)	Binding affinity to AdipoR1 (unknown origin) by surface plasmon resonance analysis
50045373	2	ChEMBL_1461018 (CHEMBL3395076)	Binding affinity to AdipoR2 (unknown origin) by surface plasmon resonance analysis
50045373	3	ChEMBL_1461012 (CHEMBL3395070)	Activation of human recombinant AMPK alpha1 subunit
50045374	1	ChEMBL_1460535 (CHEMBL3395567)	Inhibition of full length human fusion His6 tagged PRL1 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay
50045374	2	ChEMBL_1460536 (CHEMBL3395568)	Inhibition of human PRL2 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay
50045374	3	ChEMBL_1460537 (CHEMBL3395569)	Inhibition of full length human fusion His6 tagged PRL3 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 substrate by immobilized metal ion affinity-based fluorescence polarization assay
50045374	4	ChEMBL_1461022 (CHEMBL3395080)	Inhibition of PRL3 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation
50045374	5	ChEMBL_1461023 (CHEMBL3395081)	Inhibition of PRL2 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation
50045374	6	ChEMBL_1461024 (CHEMBL3395082)	Inhibition of PRL1 (unknown origin) using DiFMUP as fluorogenic phosphate substrate assessed as DiFMUP dephosphorylation
50045375	1	ChEMBL_1460546 (CHEMBL3395578)	Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay
50045375	2	ChEMBL_1460545 (CHEMBL3395577)	Inhibition of recombinant insulin receptor (unknown origin)
50045376	1	ChEMBL_1460848 (CHEMBL3396505)	Inhibition of CYP3A4 (unknown origin)
50045376	2	ChEMBL_1460849 (CHEMBL3396506)	Inhibition of p38-alpha in human PBMC assessed as inhibition of LPS-induced TNF-alpha production incubated for 30 mins prior to LPS challenge measured after 7 hrs by ELISA
50045376	3	ChEMBL_1460850 (CHEMBL3396507)	Inhibition of p38-alpha in human TC28 cells assessed as inhibition of IL-1-induced PGE2 production incubated for 20 mins prior to IL-1 challenge measured after 24 hrs by ELISA
50045376	4	ChEMBL_1460858 (CHEMBL3396515)	Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate
50045376	5	ChEMBL_1460860 (CHEMBL3396517)	Displacement of 1-[7-[3-[4-(aminomethyl)-1-piperidyl]propoxy]-6-methoxy-quinazolin-4-yl]-3-(2-chloro-6-methylphenyl)urea from GST-tagged phosphorylated p38-alpha (unknown origin) by surface plasmon resonance based ISA method
50045376	6	ChEMBL_1460844 (CHEMBL3396501)	Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46 to 400) as substrate assessed as inhibition of phosphorylation after 60 mins by ELISA in presence of ATP
50045376	7	ChEMBL_1460845 (CHEMBL3396502)	Inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MSK1 as substrate assessed as inhibition of phosphorylation after 60 mins by ELISA in presence of ATP
50045376	8	ChEMBL_1460847 (CHEMBL3396504)	Inhibition of p38-alpha (unknown origin) by p38alpha-MBP IoC assay
50045377	1	ChEMBL_1460554 (CHEMBL3395586)	Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay
50045377	2	ChEMBL_1460553 (CHEMBL3395585)	Inhibition of DLK (unknown origin)
50045377	3	ChEMBL_1460558 (CHEMBL3395590)	Inhibition of MKK4 (unknown origin)
50045377	4	ChEMBL_1460559 (CHEMBL3395591)	Inhibition of MKK7 (unknown origin)
50045377	5	ChEMBL_1460560 (CHEMBL3395592)	Inhibition of JNK1 (unknown origin)
50045377	6	ChEMBL_1460561 (CHEMBL3395593)	Inhibition of JNK2 (unknown origin)
50045377	7	ChEMBL_1460562 (CHEMBL3395594)	Inhibition of JNK3 (unknown origin)
50045377	8	ChEMBL_1460563 (CHEMBL3395595)	Inhibition of MLK1 (unknown origin)
50045377	9	ChEMBL_1460564 (CHEMBL3395596)	Inhibition of MLK2 (unknown origin)
50045377	10	ChEMBL_1460565 (CHEMBL3395597)	Inhibition of MLK3 (unknown origin)
50045378	1	ChEMBL_1460902 (CHEMBL3396722)	Inhibition of JAK1 (unknown origin)
50045378	2	ChEMBL_1460903 (CHEMBL3396723)	Inhibition of JAK2 (unknown origin)
50045378	3	ChEMBL_1460904 (CHEMBL3396724)	Inhibition of JAK3 (unknown origin)
50045378	4	ChEMBL_1460603 (CHEMBL3395733)	Inhibition of human recombinant MST4 using Ser/Thr peptide 7 substrate after 60 mins by Z-Lyte assay
50045378	5	ChEMBL_1460601 (CHEMBL3395731)	Inhibition of LRRK2 in human PBMCs by ActivX KiNativ method
50045378	6	ChEMBL_1460602 (CHEMBL3395732)	Inhibition of human recombinant MST2 using Ser/Thr peptide 7 substrate after 45 mins by Z-Lyte assay
50045378	7	ChEMBL_1460598 (CHEMBL3395728)	Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELISA method
50015653	1	ChEMBL_304278 (CHEMBL829879)	In vitro effective concentration for mouse corticotropin releasing factor 1 receptor
50015653	2	ChEMBL_304279 (CHEMBL829880)	In vitro effective concentration for mouse corticotropin releasing factor 2 receptor
50045378	8	ChEMBL_1460597 (CHEMBL3395727)	Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins
50045378	9	ChEMBL_1460596 (CHEMBL3395726)	Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs
50045379	1	ChEMBL_1460906 (CHEMBL3396726)	Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scintillation counting analysis
50045379	2	ChEMBL_1460913 (CHEMBL3396733)	Inhibition of human recombinant CYP3A4 in liver microsomes by mechanism based inhibition assay
50045379	3	ChEMBL_1460909 (CHEMBL3396729)	Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase/human b5 reductase using 7-benzyloxyquinoline substrate
50045379	4	ChEMBL_1460627 (CHEMBL3395868)	Inhibition of aurora B (unknown origin)
50045379	5	ChEMBL_1460626 (CHEMBL3395867)	Inhibition of aurora A (unknown origin)
50045379	6	ChEMBL_1460629 (CHEMBL3395870)	Inhibition of p-38 kinase (unknown origin)
50045379	7	ChEMBL_1460630 (CHEMBL3395871)	Inhibition of FAK (unknown origin)
50045379	8	ChEMBL_1460631 (CHEMBL3395872)	Inhibition of TIE-2 (unknown origin)
50045379	9	ChEMBL_1460632 (CHEMBL3395873)	Inhibition of IGF1R (unknown origin)
50045379	10	ChEMBL_1460628 (CHEMBL3395869)	Inhibition of aurora C (unknown origin)
50045379	11	ChEMBL_1460905 (CHEMBL3396725)	Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scintillation counting analysis
50045379	12	ChEMBL_1460907 (CHEMBL3396727)	Inhibition of poly-histidine tagged full length recombinant aurora C (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scintillation counting analysis
50015656	2	ChEMBL_303739 (CHEMBL829782)	Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat ovary
50015656	1	ChEMBL_303755 (CHEMBL829798)	Displacement of [3H]PK11195 from peripheral benzodiazepine receptor of rat cerebral cortex
50045380	1	ChEMBL_1460634 (CHEMBL3395875)	Inhibition of PI3K p110alpha (unknown origin)
50015657	6	ChEMBL_303027 (CHEMBL830414)	Antagonist potency against human H3 receptor in GTPgamma-S-Assay
50015657	3	ChEMBL_305803 (CHEMBL827991)	Inhibition of [3H]ketanserin binding to human 5-HT2 receptor
50015657	1	ChEMBL_306186 (CHEMBL830980)	Inhibition of [125I]aminopotentidine binding to human H2 histamine receptor
50015657	5	ChEMBL_305971 (CHEMBL832957)	Inhibition of [3H]pyrilamine binding to human H1 histamine receptor
50015657	4	ChEMBL_305947 (CHEMBL832787)	Inhibition of [3H]histamine binding to human H4 histamine receptor
50045380	2	ChEMBL_1460635 (CHEMBL3395876)	Inhibition of PI3K p110beta (unknown origin)
50045380	3	ChEMBL_1460636 (CHEMBL3395877)	Inhibition of PI3K p110gamma (unknown origin)
50045380	4	ChEMBL_1460637 (CHEMBL3395878)	Inhibition of PI3K p110delta (unknown origin)
50046788	4	ChEMBL_1526464 (CHEMBL3637733)	Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay
50015659	1	ChEMBL_311922 (CHEMBL826414)	Inhibitory concentration against Calpain I activity
50015659	3	ChEBML_305243	Inhibitory concentration against Calpain I activity
50015660	2	ChEMBL_303490 (CHEMBL838864)	Inhibition of [3H]U-69593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells
50045380	5	ChEMBL_1460638 (CHEMBL3395879)	Inhibition of DNA-PK purified from human HeLa nuclear extracts
50015660	1	ChEMBL_303557 (CHEMBL828957)	Inhibition of [3H]diprenorphine binding to rat opioid receptor kappa 1 expressed in HEK 293 cells
50045380	6	ChEMBL_1460639 (CHEMBL3395880)	Inhibition of rat derived mTOR using [gamma32P]ATP
50045380	7	ChEMBL_1460641 (CHEMBL3395882)	Inhibition of DNA-PK (unknown origin)
50045380	8	ChEMBL_1460642 (CHEMBL3395883)	Inhibition of ATM kinase in human glioma cells
50045380	9	ChEMBL_1460643 (CHEMBL3395884)	Inhibition of DNA-PK purified from HeLa nuclear extracts assessed as EPPLSQEAFADLWKKR peptide substrate phosphorylation
50045380	10	ChEMBL_1460649 (CHEMBL3395890)	Inhibition of mTOR (unknown origin)
50045381	1	ChEMBL_1460657 (CHEMBL3395898)	Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay
50045381	2	ChEMBL_1460662 (CHEMBL3395903)	Inhibition of p38 (unknown origin)
50045381	3	ChEMBL_1460676 (CHEMBL3395917)	Inhibition of CYP3A4 (unknown origin)
50045381	4	ChEMBL_1460923 (CHEMBL3396743)	Inhibition of JNK2 (unknown origin)
50045381	5	ChEMBL_1460924 (CHEMBL3396744)	Inhibition of CK1delta (unknown origin) by KINOMEScan assay
50045381	6	ChEMBL_1460932 (CHEMBL3396752)	Inhibition of JNK3 (unknown origin) after 1 hr incubation
50045381	7	ChEMBL_1460661 (CHEMBL3395902)	Inhibition of JNK3-mediated c-jun phosphorylation in rat INS1 cells
50045381	8	ChEMBL_1460656 (CHEMBL3395897)	Inhibition of JNK2 (unknown origin) by time-resolved fluorescence assay
50045381	9	ChEMBL_1460925 (CHEMBL3396745)	Inhibition of PI3Kgamma (unknown origin) by KINOMEScan assay
50045381	10	ChEMBL_1460663 (CHEMBL3395904)	Inhibition of KIT (unknown origin)
50045381	11	ChEMBL_1460683 (CHEMBL3396014)	Inhibition of human full-length GST-tagged JNK3 using [gamma33P]ATP assessed as phosphorylation of GST-ATF2
50045381	12	ChEMBL_1460926 (CHEMBL3396746)	Inhibition of MKNK2 (unknown origin) by KINOMEScan assay
50045381	13	ChEMBL_1460937 (CHEMBL3396757)	Inhibition of JNK1 (unknown origin) after 1 hr incubation
50045381	14	ChEMBL_1460684 (CHEMBL3396015)	Inhibition of JNK1 (unknown origin)
50045381	15	ChEMBL_1460931 (CHEMBL3396751)	Inhibition of LRRK2 G2019S mutant (unknown origin)
50045381	16	ChEMBL_1460933 (CHEMBL3396753)	Inhibition of JNK3-mediated c-jun phosphorylation in human HeLa cells after 1 hr incubation
50045381	17	ChEMBL_1460671 (CHEMBL3395912)	Inhibition of CYP2C8 (unknown origin)
50045381	18	ChEMBL_1460672 (CHEMBL3395913)	Inhibition of CYP2C9 (unknown origin)
50045381	19	ChEMBL_1460673 (CHEMBL3395914)	Inhibition of CYP2C19 (unknown origin)
50045381	20	ChEMBL_1460664 (CHEMBL3395905)	Inhibition of KIT V559D (unknown origin)
50045381	21	ChEMBL_1460938 (CHEMBL3396758)	Inhibition of JNK2 (unknown origin) after 1 hr incubation
50045381	22	ChEMBL_1460665 (CHEMBL3395906)	Inhibition of PDGFRbeta (unknown origin)
50045381	23	ChEMBL_1460666 (CHEMBL3395907)	Inhibition of TYK2 (unknown origin)
50045381	24	ChEMBL_1460667 (CHEMBL3395908)	Inhibition of human ERG
50045381	25	ChEMBL_1460927 (CHEMBL3396747)	Inhibition of JNK3 (unknown origin) by JIP-FP displacement assay
50045381	26	ChEMBL_1460928 (CHEMBL3396748)	Inhibition of JNK1 (unknown origin) by JIP-FP displacement assay
50045381	27	ChEMBL_1460674 (CHEMBL3395915)	Inhibition of CYP2D6 (unknown origin)
50045381	28	ChEMBL_1460675 (CHEMBL3395916)	Inhibition of CYP2E1 (unknown origin)
50045381	29	ChEMBL_1460934 (CHEMBL3396754)	Inhibition of JNK3-mediated c-jun phosphorylation in human A375 cells after 1 hr incubation
50045381	30	ChEMBL_1460668 (CHEMBL3395909)	Inhibition of CYP1A2 (unknown origin)
50045381	31	ChEMBL_1460669 (CHEMBL3395910)	Inhibition of CYP2A6 (unknown origin)
50045381	32	ChEMBL_1460670 (CHEMBL3395911)	Inhibition of CYP2B6 (unknown origin)
50045381	33	ChEMBL_1460929 (CHEMBL3396749)	Inhibition of JNK2 (unknown origin) by JIP-FP displacement assay
50045381	34	ChEMBL_1460655 (CHEMBL3395896)	Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay
50015662	1	ChEMBL_306161 (CHEMBL874557)	Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells
50045382	1	ChEMBL_1460975 (CHEMBL3396874)	Binding affinity to Mcl1 (unknown origin) assessed as fluorescence quenching by intrinsic fluorescence spectra
50045383	1	ChEMBL_1460976 (CHEMBL3396875)	Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine
50045383	2	ChEMBL_1460982 (CHEMBL3394957)	Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture
50045383	3	ChEMBL_1460977 (CHEMBL3396876)	Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine
50045383	4	ChEMBL_1460981 (CHEMBL3394956)	Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of nuclear membrane mimetic lipid mixture
50045384	1	ChEMBL_1460690 (CHEMBL3396021)	Antagonist activity at full length glycosylated human TrkA expressed in HEKN3S cells cells assessed as reduction in NGF-induced ERK 42/44 phosphorylation incubated for 5 mins by automated immunofluorescence assay
50045384	2	ChEMBL_1460689 (CHEMBL3396020)	Displacement of [125I]NGF from full length human TrkA expressed in HEKN3S cells cells by gamma counting based radioligand competition assay
50045384	3	ChEMBL_1460688 (CHEMBL3396019)	Binding affinity to F303 residue of human recombinant TrkAIg2-NMR construct expressed in Escherichia coli by 1H-15N HSQC NMR spectroscopy
50045384	4	ChEMBL_1460687 (CHEMBL3396018)	Binding affinity to C345 residue of human recombinant TrkAIg2-NMR construct expressed in Escherichia coli by 1H-15N HSQC NMR spectroscopy
50045384	5	ChEMBL_1460686 (CHEMBL3396017)	Binding affinity to V305 residue of human recombinant TrkAIg2-NMR construct expressed in Escherichia coli by 1H-15N HSQC NMR spectroscopy
50045384	6	ChEMBL_1460685 (CHEMBL3396016)	Binding affinity to T292 residue of human recombinant TrkAIg2-NMR construct expressed in Escherichia coli by 1H-15N HSQC NMR spectroscopy
50045385	1	ChEMBL_1460697 (CHEMBL3396028)	Binding affinity to cyclin A2 (174 to 432) (unknown origin) by fluorescence polarization assay
50045386	1	ChEMBL_1460712 (CHEMBL3396043)	Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method
50045386	2	ChEMBL_1460698 (CHEMBL3396029)	Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method
50045386	3	ChEMBL_1460710 (CHEMBL3396041)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method
50045387	3	ChEMBL_1460740 (CHEMBL3396149)	Inhibition of BRAF (unknown origin) incubated for 15 mins by fluorescence based assay
50045387	4	ChEMBL_1460741 (CHEMBL3396150)	Inhibition of human recombinant VEGFR2 incubated for 1 hr using [gamma-32P]ATP by top count assay
50045388	1	ChEMBL_1461354 (CHEMBL3396204)	Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50015668	1	ChEMBL_305199 (CHEMBL832453)	Concentration required for 50% inhibition of tubulin polymerization
50015669	5	ChEMBL_305714 (CHEMBL829387)	Inhibition of estrogen receptor beta at 10 uM
50015669	4	ChEMBL_305781 (CHEMBL827970)	Inhibition of estrogen receptor beta in MCF-7-2a cells at 10 uM
50015669	2	ChEMBL_304173 (CHEMBL829169)	Effective concentration against estrogen receptor alpha of MCF-7-2a cells
50015669	1	ChEMBL_305815 (CHEMBL829468)	Inhibition of estrogen receptor alpha in MCF-7-2a cells at 10 uM
50015669	3	ChEMBL_304168 (CHEMBL830006)	Effective concentration against estrogen receptor beta of MCF-7-2a cells
50045388	2	ChEMBL_1461353 (CHEMBL3396203)	Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 mins by fluorescence assay
50015672	1	ChEMBL_302457 (CHEMBL875207)	Binding affinity for human liver monoamine oxidase A
50015673	3	ChEMBL_306615 (CHEMBL829075)	Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 4
50015673	2	ChEMBL_306611 (CHEMBL829071)	Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 2
50015673	5	ChEMBL_306617 (CHEMBL829077)	Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 5
50015673	1	ChEMBL_306613 (CHEMBL829073)	Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 3
50015673	4	ChEMBL_306609 (CHEMBL829069)	Inhibition of [Leu8,D-Trp22,125I-Tyr25]SRIF-28 binding to human somatostatin receptor type 1
50045389	1	ChEMBL_1461452 (CHEMBL3396536)	Inhibition of human HGPRT
50045390	1	ChEMBL_1461475 (CHEMBL3396559)	Inhibition of rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP substrate incubated for 60 mins by topcount scintillation counting method
50045391	1	ChEMBL_1461628 (CHEMBL3395013)	Inhibition of bovine eNOS
50045391	2	ChEMBL_1461627 (CHEMBL3395012)	Inhibition of rat nNOS
50045391	3	ChEMBL_1461629 (CHEMBL3395014)	Inhibition of mouse iNOS
50045392	1	ChEMBL_1461697 (CHEMBL3395235)	Inhibition of mouse 11beta-HSD1
50045392	2	ChEMBL_1461696 (CHEMBL3395234)	Inhibition of human 11beta-HSD1 transfected in HEK293 cells assessed as conversion of cortisone to cortisol after 30 mins by ELISA
50045392	3	ChEMBL_1461693 (CHEMBL3395231)	Inhibition of 11beta-HSD1 in HEK293 cell microsomal fraction
50045393	1	ChEMBL_1461812 (CHEMBL3395806)	Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50045393	2	ChEMBL_1461813 (CHEMBL3395807)	Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50045394	1	ChEMBL_1461891 (CHEMBL3396121)	Inhibition of purified recombinant c-MET (unknown origin) using poly (Glu, Tyr) substrate after 60 mins by ELISA
50015676	1	ChEMBL_302732 (CHEMBL838680)	Binding affinity against tubulin from goat brain relative to colchicine
50015677	1	ChEMBL_312291 (CHEMBL837869)	In vitro inhibitory concentration value against bovine brain tubulin polymerization
50015678	7	ChEMBL_305597 (CHEMBL874431)	Inhibition of ATR kinase using rabbit polyclonal antisera
50015678	10	ChEMBL_305637 (CHEMBL829496)	Inhibition of Phosphatidylinositol 3-kinase
50015678	5	ChEMBL_305600 (CHEMBL828046)	Inhibition of Phosphatidylinositol 3-kinase
50045394	2	ChEMBL_1461938 (CHEMBL3396251)	Inhibition of purified VEGFR2 (unknown origin) after 60 mins by ELISA
50015678	4	ChEMBL_305596 (CHEMBL828043)	Inhibition of ATM kinase using rabbit polyclonal antisera
50045395	1	ChEMBL_1462036 (CHEMBL3396571)	Inhibition of human recombinant MAO-A using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins prior to substrate addition measured after 20 mins by microplate fluorescence reader analysis
50015678	11	ChEMBL_305596 (CHEMBL828043)	Inhibition of ATM kinase using rabbit polyclonal antisera
50015678	9	ChEMBL_305597 (CHEMBL874431)	Inhibition of ATR kinase using rabbit polyclonal antisera
50045395	2	ChEMBL_1462037 (CHEMBL3396572)	Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins prior to substrate addition measured after 20 mins by microplate fluorescence reader analysis
50015678	8	ChEMBL_306179 (CHEMBL830973)	Inhibition of human recombinant p110 alpha Phosphatidylinositol 3-kinase
50015678	2	ChEMBL_305425 (CHEMBL830918)	Inhibition of mTOR protein isolated from HeLa cells
50045396	1	ChEMBL_1462042 (CHEMBL3396577)	Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorescence assay
50045396	2	ChEMBL_1462053 (CHEMBL3396588)	Inhibition of human recombinant MAO-A using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorescence assay
50015679	1	ChEMBL_302850 (CHEMBL828766)	Inhibition of [3H]DAMGO binding to mu-Opioid receptor
50015679	3	ChEMBL_305844 (CHEMBL829585)	In vitro inhibition of opioid receptor delta using mouse vas deferens
50015679	2	ChEMBL_305952 (CHEMBL831966)	In vitro inhibition of opioid receptor mu using isolated guinea pig ileum
50015679	4	ChEMBL_302899 (CHEMBL830360)	Inhibition of [3H]DPDPE binding to delta-Opioid receptor 
50015687	2	ChEMBL_303037 (CHEMBL828865)	Binding affinity towards Adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX as radioligand
50015687	1	ChEMBL_303114 (CHEMBL829623)	Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]ZM-241385 as radioligand
50045397	1	ChEMBL_1462110 (CHEMBL3396817)	Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs
50015689	1	ChEMBL_306170 (CHEMBL830965)	Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined
50015689	2	ChEMBL_305879 (CHEMBL832742)	Inhibitory concentration against butyrylcholinesterase from rat serum
50045397	2	ChEMBL_1462109 (CHEMBL3396816)	Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water after 20 hrs by scintillation counting analysis
50045398	1	ChEMBL_1462151 (CHEMBL3396925)	Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay
50045399	1	ChEMBL_1462152 (CHEMBL3396926)	Inhibition of human C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta(DE3) incubated for 15 mins prior to substrate addition measured after 30 mins
50045399	2	ChEMBL_1462160 (CHEMBL3396934)	Reversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50045399	3	ChEMBL_1462161 (CHEMBL3396935)	Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50045399	4	ChEMBL_1462162 (CHEMBL3396936)	Reversible inhibition of CYP2D6 in human liver microsomes
50045399	5	ChEMBL_1462163 (CHEMBL3396937)	Reversible inhibition of CYP1A2 in human liver microsomes
50045399	6	ChEMBL_1462164 (CHEMBL3396938)	Reversible inhibition of CYP2C19 in human liver microsomes
50045399	7	ChEMBL_1462165 (CHEMBL3396939)	Reversible inhibition of CYP2C9 in human liver microsomes
50045400	1	ChEMBL_1462194 (CHEMBL3395051)	Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting
50045400	2	ChEMBL_1462195 (CHEMBL3395052)	Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50045400	3	ChEMBL_1462197 (CHEMBL3395054)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50015696	3	ChEMBL_302622 (CHEMBL838819)	Binding affinity against human cytosolic Carbonic anhydrase II
50015696	5	ChEMBL_302624 (CHEMBL838821)	Binding affinity against human cytosolic Carbonic anhydrase IX
50015696	2	ChEMBL_302604 (CHEMBL838571)	Binding affinity against human cytosolic Carbonic anhydrase V
50015696	4	ChEMBL_302623 (CHEMBL838820)	Binding affinity against human cytosolic Carbonic anhydrase IV
50015696	1	ChEMBL_302603 (CHEMBL838570)	Binding affinity against human cytosolic Carbonic anhydrase I
50045401	1	ChEMBL_1462212 (CHEMBL3395144)	Inhibition of recombinant Plk1 (unknown origin) preincubated for 30 mins before recombinant Cdc25C substrate addition by ADP-Glo kinase assay
50045401	2	ChEMBL_1462213 (CHEMBL3395145)	Inhibition of recombinant Plk2 (unknown origin)
50045401	3	ChEMBL_1462214 (CHEMBL3395146)	Inhibition of recombinant Plk3 (unknown origin)
50045402	1	ChEMBL_1462224 (CHEMBL3395156)	Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate
50045402	2	ChEMBL_1462227 (CHEMBL3395159)	Uncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis
50045402	3	ChEMBL_1462226 (CHEMBL3395158)	Noncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis
50045402	4	ChEMBL_1462225 (CHEMBL3395157)	Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis
50045403	1	ChEMBL_1462229 (CHEMBL3395161)	Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting
50045403	2	ChEMBL_1462230 (CHEMBL3395162)	Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain minus cerebellum membranes by liquid scintillation counting
50045404	7	ChEMBL_1462305 (CHEMBL3395398)	Antagonist activity at human OX2R by radioligand displacement assay
50045404	10	ChEMBL_1462306 (CHEMBL3395399)	Antagonist activity at human OX1R by radioligand displacement assay
50045404	11	ChEMBL_1462320 (CHEMBL3395413)	Inhibition of CYP2C9 (unknown origin)
50045404	8	ChEMBL_1462307 (CHEMBL3395400)	Antagonist activity at human OX2R by FLIPR assay
50045404	9	ChEMBL_1462318 (CHEMBL3395411)	Inhibition of CYP3A4 (unknown origin)
50015698	1	ChEMBL_303375 (CHEMBL839693)	Binding affinity for human tachykinin receptor 2 was measured by using [125I]NKA as radio ligand
50015699	3	ChEMBL_303727 (CHEMBL829062)	Binding affinity towards human opioid receptor mu 1 was determined by using [3H]diprenorphine as radioligand expressed in Chinese hamster ovary (CHO) cells
50015699	1	ChEMBL_303722 (CHEMBL829057)	Binding affinity towards human opioid receptor like 1 was determined by using [3H]nociceptin as radioligand expressed in Chinese hamster ovary (CHO) cells
50015699	2	ChEMBL_313039 (CHEMBL835730)	Inhibitory concentration measured by cellular decreases in forskolin stimulated cAMP in CHO cells stably transfected with hORL1 receptor
50045404	6	ChEMBL_1462319 (CHEMBL3395412)	Inhibition of CYP2D6 (unknown origin)
50045404	5	ChEMBL_1462308 (CHEMBL3395401)	Antagonist activity at human OX1R by FLIPR assay
50045405	1	ChEMBL_1461173 (CHEMBL3395623)	Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced contraction
50045405	2	ChEMBL_1461172 (CHEMBL3395622)	Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity
50045406	1	ChEMBL_1461280 (CHEMBL3396054)	Inhibition of PTP1B (unknown origin)
50045407	1	ChEMBL_1461284 (CHEMBL3396058)	Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated reporter gene activity
50045407	2	ChEMBL_1461283 (CHEMBL3396057)	Displacement of [3H]histamine from human recombinant histamine H4 receptor
50015703	11	ChEMBL_303725 (CHEMBL829060)	Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes prepared from CHO-A3 cells
50015703	13	ChEMBL_302187 (CHEMBL829427)	Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells
50015703	1	ChEMBL_303594 (CHEMBL830404)	Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 (2 nM) radioligand in membranes from HEK-A2A cells
50015703	5	ChEMBL_303604 (CHEMBL829693)	Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 (14 nM) radioligand in membranes from HEK-A2B cells
50015703	8	ChEMBL_303539 (CHEMBL839652)	Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2B cells
50015703	15	ChEMBL_303694 (CHEMBL829739)	Binding affinity for adenosine A1 receptor by using as [3H]CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells
50015703	4	ChEMBL_303603 (CHEMBL829692)	Binding affinity for adenosine A1 receptor by using as [3H]CPX radioligand in membranes from Chinese hamster ovary cells
50015703	3	ChEMBL_303602 (CHEMBL829691)	Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells
50015703	10	ChEMBL_302180 (CHEMBL875182)	Binding affinity for adenosine A2a receptor labeled by [3H]ZM-241,385 in membranes from HEK-A2A cells
50015703	12	ChEMBL_302186 (CHEMBL829426)	Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2B cells
50015703	7	ChEMBL_303682 (CHEMBL830442)	Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells
50015703	14	ChEMBL_303500 (CHEMBL839972)	Binding affinity against Adenosine A2b receptor labeled by [3H]ZM-241385 in membranes prepared from HEK-A2B cells
50015703	2	ChEMBL_303572 (CHEMBL828972)	Binding affinity against Adenosine A1 receptor labeled by [3H]CPX in membranes prepared from Chinese hamster ovary cells
50015703	6	ChEMBL_303499 (CHEMBL839971)	Binding affinity against Adenosine A2a receptor labeled by [3H]ZM-241385 in membranes prepared from HEK-A2A cells
50015703	9	ChEMBL_303538 (CHEMBL839651)	Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells
50015706	1	ChEMBL_306510 (CHEMBL828115)	In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dorsal root ganglion
50015707	1	ChEMBL_305881 (CHEMBL832744)	Inhibitory concentration against Saccharomyces cerevisiae methionine aminopeptidase 1
50015707	2	ChEMBL_305626 (CHEMBL828659)	Inhibitory concentration against Escherichia coli methionine aminopeptidase 1
50045408	1	ChEMBL_1461401 (CHEMBL3396414)	Inhibition of human recombinant serum BuchE using butyrylthiocholine iodide as substrate by Ellman method
50045408	2	ChEMBL_1461400 (CHEMBL3396413)	Inhibition of human recombinant AchE using acetylthiocholine iodide as substrate by Ellman method
50045408	3	ChEMBL_1461399 (CHEMBL3396412)	Inhibition of electric eel AchE using acetylthiocholine iodide as substrate by Ellman method
50045409	1	ChEMBL_1461416 (CHEMBL3396429)	Inhibition of human ERG
50015709	3	ChEMBL_305569 (CHEMBL827163)	Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)
50015709	4	ChEMBL_305570 (CHEMBL827164)	Inhibitory concentration tested against human Cannabinoid receptor 2 (hCB2)
50015709	2	ChEMBL_304156 (CHEMBL829995)	Effective concentration against human Cannabinoid receptor 1 (hCB1)
50015709	1	ChEMBL_311943 (CHEMBL833410)	Maximal response (3000 nM) at human cannabinoid receptor 1 (hCB1)
50015711	1	ChEMBL_303343 (CHEMBL840159)	Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active
50015711	2	ChEMBL_303162 (CHEMBL829974)	Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +:inactive
50015711	3	ChEMBL_303296 (CHEMBL827429)	Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active
50015712	1	ChEMBL_303512 (CHEMBL838626)	Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane
50045409	2	ChEMBL_1461407 (CHEMBL3396420)	Inhibition of full length recombinant Pim-2 (unknown origin) assessed as phosphorylation of biotinylated-BAD peptide at Serine 112 residue
50045409	3	ChEMBL_1461406 (CHEMBL3396419)	Inhibition of full length recombinant Pim-1 (unknown origin) assessed as phosphorylation of biotinylated-BAD peptide at Serine 112 residue
50015715	1	ChEMBL_303515 (CHEMBL839629)	Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined
50015718	2	ChEMBL_304915 (CHEMBL827808)	Binding affinity for human estrogen receptor beta
50015718	1	ChEMBL_304942 (CHEMBL826971)	Binding affinity for human estrogen receptor alpha
50045409	4	ChEMBL_1461408 (CHEMBL3396421)	Inhibition of full length recombinant Pim-3 (unknown origin) assessed as phosphorylation of biotinylated-BAD peptide at Serine 112 residue
50045410	1	ChEMBL_1461433 (CHEMBL3396446)	Inhibition of CYP3A4 (unknown origin)
50045410	2	ChEMBL_1461434 (CHEMBL3396447)	Inhibition of CYP2C9 (unknown origin)
50015721	3	ChEMBL_303023 (CHEMBL830411)	Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)
50015721	2	ChEMBL_302895 (CHEMBL830211)	Inhibitory constant against DNA polymerases IIIE from Escherichia coli; (a)
50015721	1	ChEMBL_302909 (CHEMBL830369)	Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)
50015725	2	ChEMBL_303384 (CHEMBL839701)	Binding affinity for rat serotonin 5-HT7 receptor expressed in Sf9 cells using [3H]5-HT radioligand
50045410	3	ChEMBL_1461435 (CHEMBL3396519)	Inhibition of CYP2D6 (unknown origin)
50045410	4	ChEMBL_1461436 (CHEMBL3396520)	Inhibition of human ERG by Q-patch assay
50045411	1	ChEMBL_1461514 (CHEMBL3396670)	Inhibition of horse serum BuChE pre-incubated for 20 mins before butylthicoline iodide substrate addition by Ellman's assay
50015726	1	ChEMBL_305708 (CHEMBL827223)	In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase
50015729	2	ChEMBL_302577 (CHEMBL839538)	Binding affinity for cannabinoid receptor 1
50015729	3	ChEMBL_302578 (CHEMBL839539)	Binding affinity for cannabinoid receptor 2
50015729	1	ChEMBL_303346 (CHEMBL840162)	Binding affinity for human cannabinoid receptor 2 was determined by using [3H]CP-55940 as radioligand
50045411	2	ChEMBL_1461513 (CHEMBL3396669)	Inhibition of electric eel AChE pre-incubated for 20 mins before acetylcholine iodide substrate addition by Ellman's assay
50045412	1	ChEMBL_1461542 (CHEMBL3396783)	Antagonist activity at human TRPV1 assessed as inhibition of 45 degC heat-induced effect at 1 uM by FLIPR assay
50045412	2	ChEMBL_1461541 (CHEMBL3396782)	Antagonist activity at human TRPV1 assessed as inhibition of NADA-induced effect at 1 uM by FLIPR assay
50045412	3	ChEMBL_1461538 (CHEMBL3396779)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay
50015730	1	ChEMBL_305406 (CHEMBL833055)	Evaluated for inhibition of human C-C chemokine receptor type 3 expressed in CHO cells
50015731	2	ChEMBL_305087 (CHEMBL832392)	Inhibitory concentration towards rat leutinizing releasing hormone receptor
50015731	1	ChEMBL_305163 (CHEMBL832753)	Inhibitory concentration towards human leutinizing releasing hormone receptor
50015732	2	ChEMBL_305635 (CHEMBL828667)	Inhibitory concentration towards human leutinizing releasing hormone receptor
50015732	1	ChEMBL_305571 (CHEMBL827165)	Inhibitory concentration towards rat leutinizing releasing hormone receptor
50015736	3	ChEMBL_303067 (CHEMBL828893)	Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH
50015736	4	ChEMBL_305395 (CHEMBL833045)	Inhibitory concentration against Melanocortin 4 receptor
50015736	1	ChEMBL_302756 (CHEMBL876355)	Binding affinity for human melanocortin 5 receptor
50045413	1	ChEMBL_1461545 (CHEMBL3396786)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by microplate reader
50045414	1	ChEMBL_1461557 (CHEMBL3396798)	Induction of human ferroportin degradation expressed in HEK293 cells after 24 hrs by flow cytometry
50045415	1	ChEMBL_1461562 (CHEMBL3396803)	Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay
50045415	2	ChEMBL_1461561 (CHEMBL3396802)	Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay
50024550	1	ChEMBL_524792 (CHEMBL969190)	Inhibition of COX1 from ram seminal vesicles by liquid scintillation counter
50015740	4	ChEMBL_302176 (CHEMBL830079)	Dissociation constant for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3
50015740	1	ChEMBL_303728 (CHEMBL830082)	Binding affinity for nicotinic acetylcholine receptor alpha 7 from human neuroblastoma SH-SY5Y cells; n=3
50045415	3	ChEMBL_1461563 (CHEMBL3396804)	Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay
50045416	1	ChEMBL_1461648 (CHEMBL3395117)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50045416	2	ChEMBL_1461646 (CHEMBL3395115)	Inhibition of BACE1 (unknown origin) by fluorescence assay
50045416	3	ChEMBL_1461647 (CHEMBL3395116)	Inhibition of cathepsin D (unknown origin)
50015744	1	ChEMBL_303397 (CHEMBL840060)	Binding affinity determined against human 5-hydroxytryptamine 1A receptors transfected into CHO cells.
50015744	2	ChEMBL_303700 (CHEMBL828187)	Binding affinity determined against Serotonin transporter determined by displacement of [3H]paroxetine from rat cortical membranes
50015750	1	ChEMBL_306712 (CHEMBL833036)	Concentration required for 50% growth inhibition of rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay
50015750	2	ChEMBL_303616 (CHEMBL828871)	In vitro binding affinity of compound towards rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay
50015751	1	ChEMBL_302690 (CHEMBL876780)	Inhibition constant for acetylcholinesterase
50045416	4	ChEMBL_1461645 (CHEMBL3395114)	Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA
50045417	1	ChEMBL_1461783 (CHEMBL3395659)	Inhibition of full length recombinant PIM2 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 after 90 mins by HTRF method
50045417	2	ChEMBL_1461785 (CHEMBL3395661)	Inhibition of PIM1 in human U2OS cells assessed as phosphorylation of BAD
50045417	3	ChEMBL_1461786 (CHEMBL3395662)	Inhibition of PIM2 in human U2OS cells assessed as phosphorylation of BAD
50045417	4	ChEMBL_1461782 (CHEMBL3395658)	Inhibition of full length recombinant PIM1 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 after 2 hrs by HTRF method
50045417	5	ChEMBL_1461784 (CHEMBL3395660)	Inhibition of full length recombinant PIM3 (unknown origin) using biotinylated-BAD peptide as substrate assessed as phosphorylation at serine 112 after 45 mins by HTRF method
50045418	1	ChEMBL_1461860 (CHEMBL3395991)	Inhibition of human full length HER1 assessed as phosphorylation state by ELISA assay
50045418	2	ChEMBL_1461861 (CHEMBL3395992)	Inhibition of human full length HER2 assessed as phosphorylation state by ELISA assay
50045419	1	ChEMBL_1461883 (CHEMBL3396113)	Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method
50045419	2	ChEMBL_1461974 (CHEMBL3396352)	Inhibition of 5HT2B receptor (unknown origin)
50045419	3	ChEMBL_1461973 (CHEMBL3396351)	Inhibition of human ERG by patch clamp assay
50045419	4	ChEMBL_1461971 (CHEMBL3396349)	Inhibition of CYP3A4 (unknown origin)
50045419	5	ChEMBL_1461970 (CHEMBL3396348)	Inhibition of CYP2D6 (unknown origin)
50045419	6	ChEMBL_1461969 (CHEMBL3396347)	Inhibition of CYP2C19 (unknown origin)
50045419	7	ChEMBL_1461968 (CHEMBL3396346)	Inhibition of CYP2C9 (unknown origin)
50045419	8	ChEMBL_1461967 (CHEMBL3396345)	Inhibition of CYP1A2 (unknown origin)
50045420	1	ChEMBL_1461996 (CHEMBL3396374)	Binding affinity to AT2 receptor (unknown origin)
50045420	2	ChEMBL_1461998 (CHEMBL3396448)	Displacement of [125I]-[Sar1,Leu8]angiotensin II from human AT1 receptor expressed in african green monkey COS7 cells
50045420	3	ChEMBL_1461999 (CHEMBL3396449)	Displacement of [125I]-Ang II from AT1 receptor in rat liver membranes after 2 hrs by gamma-counting method
50045421	1	ChEMBL_1462014 (CHEMBL3396464)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50015755	1	ChEMBL_306465 (CHEMBL829542)	Inhibitory concentration against human C-C chemokine receptor type 5 in CHO cells with [125I]-MIP-1 alpha radioligand
50046789	3	ChEMBL_1526646 (CHEMBL3635970)	Inhibition of Bcr-Abl T315I mutant (unknown origin) by ADP-Glo assay
50046789	4	ChEMBL_1526645 (CHEMBL3635969)	Inhibition of wild type Bcr-Abl (unknown origin) by ADP-Glo assay
50015757	3	ChEMBL_302966 (CHEMBL827946)	Inhibitory constant against HMG-CoA reductase with alpha asarone
50015757	2	ChEMBL_305262 (CHEMBL832812)	Inhibitory concentration against HMG-CoA reductase
50015757	1	ChEMBL_302634 (CHEMBL839925)	Inhibitory constant against HMG-CoA reductase
50015758	1	ChEMBL_302898 (CHEMBL830359)	Binding affinity for Escherichia coli dihydrodipicolinate synthase
50045421	2	ChEMBL_1462008 (CHEMBL3396458)	Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA method
50045421	3	ChEMBL_1462007 (CHEMBL3396457)	Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method
50045422	1	ChEMBL_1462104 (CHEMBL3396811)	Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from [3H]-SAM to lysine residue on biotinylated unmethylated peptide substrate derived from histone H3 by scintillation proximity assay
50045422	2	ChEMBL_1462103 (CHEMBL3396810)	Inhibition of methyltransferase activity of EZH2 within human PRC2 complex expressed in Sf9 cells assessed as transfer of tritiated methyl group from [3H]-SAM to lysine residue on Histone H3 of mononucleosome purified from HeLa cells by scintillation proximity assay
50045423	1	ChEMBL_1462105 (CHEMBL3396812)	Inhibition of mPGES-1 in interleukin-1beta-stimulated human A549 cells microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins in presence of PGH2 and glutathione by RP-HPLC method
50045424	1	ChEMBL_1462635 (CHEMBL3399322)	Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate after 10 mins
50015767	1	ChEMBL_311916 (CHEMBL834683)	Inhibition of tubulin polymerization interacting at the colchicine binding site.
50015768	1	ChEMBL_303342 (CHEMBL840158)	In vitro binding affinity against recombinant human dopamine receptor D2L in human liver microsomes
50015768	2	ChEMBL_303232 (CHEMBL827197)	In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes
50015769	4	ChEMBL_310482 (CHEMBL834517)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor
50015769	2	ChEMBL_310480 (CHEMBL834424)	Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor
50045425	1	ChEMBL_1462643 (CHEMBL3399330)	Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis
50015772	3	ChEMBL_306076 (CHEMBL833030)	Inhibitory concentration against human 5-lipoxygenase
50015772	4	ChEMBL_313047 (CHEMBL835738)	Inhibitory concentration against 5-lipoxygenase in human whole blood
50015772	2	ChEMBL_302917 (CHEMBL830377)	Binding affinity for human Histamine H1 receptor in CHO K1 cells
50015772	1	ChEMBL_303089 (CHEMBL828761)	Binding affinity for recombinant human Histamine H1 receptor expressed in CHO K1 cells
50015773	1	ChEMBL_303046 (CHEMBL828016)	Displacement of bound [3H]diprenorphine from membranes expressing cloned human kappa opioid receptor
50015774	3	ChEMBL_302508 (CHEMBL828223)	Inhibition of matrix metalloprotease-13
50015774	2	ChEMBL_302479 (CHEMBL827170)	Inhibition of matrix metalloprotease-2
50015774	4	ChEMBL_302478 (CHEMBL827169)	Inhibition of matrix metalloprotease-1
50015774	7	ChEMBL_302745 (CHEMBL852352)	Inhibition of TNF-alpha converting enzyme (TACE, ADAM17)
50015774	1	ChEMBL_302480 (CHEMBL827171)	Inhibition of matrix metalloprotease-3
50045425	2	ChEMBL_1462642 (CHEMBL3399329)	Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay
50015776	1	ChEMBL_302327 (CHEMBL828914)	Inhibitory constant against Glyoxalase I
50045426	3	ChEMBL_1462679 (CHEMBL3399407)	Inhibition of EGFR (unknown origin)
50045426	4	ChEMBL_1462676 (CHEMBL3399404)	Inhibition of DHFR (unknown origin)
50045427	17	ChEMBL_1462712 (CHEMBL3399440)	Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay
50045427	16	ChEMBL_1462715 (CHEMBL3399484)	Inhibition of ROS1 in human HCC78 cells after 48 hrs by CellTitre-Glo assay
50045427	22	ChEMBL_1462709 (CHEMBL3399437)	Inhibition of ALK (unknown origin)
50045427	23	ChEMBL_1462708 (CHEMBL3399436)	Inhibition of ROS1 (unknown origin)
50015781	1	ChEMBL_306382 (CHEMBL828723)	Inhibition of poly(L-glutamic acid-L-tyrosine) phosphorylation by EGFR tyrosine kinase of A431 carcinoma cells
50015782	2	ChEMBL_303434 (CHEMBL839603)	Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]RX-821002 as radioligand
50015782	3	ChEMBL_303031 (CHEMBL830418)	Binding affinity against Human phenylethanolamine N-methyl-transferase
50045427	20	ChEMBL_1462713 (CHEMBL3399441)	Inhibition of ALK (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay
50045427	19	ChEMBL_1462714 (CHEMBL3399483)	Inhibition of c-Met (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay
50045427	18	ChEMBL_1462711 (CHEMBL3399439)	Inhibition of ROS1 (unknown origin) expressed in mouse BA/F3 cells
50045427	21	ChEMBL_1462710 (CHEMBL3399438)	Inhibition of c-Met kinase (unknown origin)
50045427	15	ChEMBL_1462716 (CHEMBL3399485)	Inhibition of ROS1 (unknown origin) by HotSpot assay
50045428	10	ChEMBL_1462783 (CHEMBL3399585)	Inhibition of human aromatase in term placenta microsome assessed as radioactivity
50045428	9	ChEMBL_1462792 (CHEMBL3399594)	Inhibition of mushroom tyrosinase
50045428	8	ChEMBL_1462773 (CHEMBL3399575)	Inhibition of HIF-1alpha in human Hep3B cells cotransfected with pGL3-HRE-luciferase plasmid after 24 hrs by dual-luciferase reporter assay
50045428	7	ChEMBL_1462774 (CHEMBL3399576)	Inhibition of HIF-1alpha in human Hep3B cells assessed as decrease in VEGF level after 20 hrs by ELISA
50045428	6	ChEMBL_1462739 (CHEMBL3399508)	Inhibition of Staphylococcus aureus FabI-mediated trans-2-octenoyl N-acetylcysteamine (t-o-NAC thioester) substrate reduction assessed as decrease in NADPH by ELISA
50045429	2	ChEMBL_1462817 (CHEMBL3399656)	Binding affinity to oxidized Escherichia coli DsbA by isothermal titration calorimetry assay
50045430	5	ChEMBL_1462820 (CHEMBL3399659)	Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins
50045430	4	ChEMBL_1462822 (CHEMBL3399661)	Agonist activity at human CB2 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50045430	6	ChEMBL_1462819 (CHEMBL3399658)	Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins
50015784	3	ChEMBL_302785 (CHEMBL839470)	Binding affinity against Prostaglandin E receptor was determined in human
50015784	1	ChEMBL_302705 (CHEMBL839577)	Binding affinity against human Prostanoid TP receptor
50015784	4	ChEMBL_303322 (CHEMBL840047)	Binding affinity against Prostaglandin E receptor in presence of 2% human serum albumin
50015784	2	ChEMBL_302751 (CHEMBL838698)	Binding affinity towards Prostaglandin E receptor was determined in rat
50015785	1	ChEMBL_313000 (CHEMBL873341)	Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay
50015786	3	ChEMBL_305389 (CHEMBL833040)	Inhibitory concentration against histamine-H1 receptor
50045431	4	ChEMBL_1462845 (CHEMBL3399719)	Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase reporter gene assay
50045431	3	ChEMBL_1462847 (CHEMBL3399721)	Agonist activity at GAL4-DNA binding domain fused human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase reporter gene assay
50015787	10	ChEMBL_305652 (CHEMBL829510)	Inhibitory concentration against recombinant human caspase-7 in neuronal precursor (NT2) cells
50015787	11	ChEMBL_305651 (CHEMBL829509)	Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells
50015787	9	ChEMBL_305650 (CHEMBL829508)	Inhibitory concentration against recombinant human caspase-1 in neuronal precursor (NT2) cells
50015787	12	ChEMBL_305653 (CHEMBL829511)	Inhibitory concentration against recombinant human caspase-8 in neuronal precursor (NT2) cells
50015787	3	ChEMBL_306079 (CHEMBL833033)	Inhibitory concentration against caspase-10 in neuronal precursor (NT2) cells
50015787	7	ChEMBL_305287 (CHEMBL832836)	Inhibitory concentration against human caspase-4 in neuronal precursor (NT2) cells
50015787	13	ChEMBL_305288 (CHEMBL832837)	Inhibitory concentration against human caspase-5 in neuronal precursor (NT2) cells
50015787	4	ChEMBL_305994 (CHEMBL832668)	Inhibitory concentration against casp-10 in neuronal precursor (NT2) cells
50015787	15	ChEMBL_305960 (CHEMBL831973)	Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells
50015787	6	ChEMBL_305962 (CHEMBL832948)	Inhibitory concentration against casp-5 in neuronal precursor (NT2) cells
50015787	5	ChEMBL_305960 (CHEMBL831973)	Inhibitory concentration against casp-2 in neuronal precursor (NT2) cells
50015787	8	ChEMBL_305963 (CHEMBL832949)	Inhibitory concentration against casp-6 in neuronal precursor (NT2) cells
50015787	2	ChEMBL_306045 (CHEMBL833002)	Inhibitory concentration against caspase-6 in neuronal precursor (NT2) cells
50015787	1	ChEMBL_302945 (CHEMBL841780)	Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells
50015787	14	ChEMBL_305287 (CHEMBL832836)	Inhibitory concentration against human caspase-4 in neuronal precursor (NT2) cells
50015791	1	ChEMBL_306874 (CHEMBL828680)	Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection method
50015792	1	ChEMBL_306206 (CHEMBL830164)	Inhibition of binding to human growth hormone secretagogue receptor
50015792	2	ChEMBL_312559 (CHEMBL834350)	Inhibition of ghrelin-induced increase of intracellular [Ca2+] in CHO K cell FLIPR assay
50015794	1	ChEMBL_306787 (CHEMBL832372)	In vitro inhibitory concentration for Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)
50045432	2	ChEMBL_1462872 (CHEMBL3399784)	Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay
50045433	5	ChEMBL_1462884 (CHEMBL3399796)	Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins
50045433	7	ChEMBL_1462885 (CHEMBL3399797)	Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 mins
50045433	6	ChEMBL_1462886 (CHEMBL3399798)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 mins
50045433	8	ChEMBL_1462881 (CHEMBL3399793)	Antagonist activity at kappa opioid receptor (unknown origin)
50045434	1	ChEMBL_1462898 (CHEMBL3399838)	Inhibition of human recombinant CYP17 expressed in Escherichia coli using progesterone as substrate
50045434	2	ChEMBL_1462899 (CHEMBL3399839)	Inhibition of human recombinant CYP19 using [1beta-3H]androstenedione as substrate
50045434	3	ChEMBL_1462890 (CHEMBL3399802)	Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured after 45 mins by HPLC analysis
50015796	1	ChEMBL_305857 (CHEMBL832717)	Inhibitory concentration against human Kv11.1 ERG potassium channel
50015797	1	ChEMBL_302805 (CHEMBL838513)	Inhibitory constant against human Steroid sulfatase
50045434	4	ChEMBL_1462891 (CHEMBL3399803)	Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured after 25 mins by HPLC analysis
50045435	1	ChEMBL_1462900 (CHEMBL3399840)	Displacement of (+)-[3H]pentazocine from guinea pig brain cortex sigma1 receptor by scintillation analyzer
50045436	1	ChEMBL_1462916 (CHEMBL3399856)	Inhibition of wild type HIV1 p66/p51 reverse transcriptase by spectrofluorometry
50045437	1	ChEMBL_1462923 (CHEMBL3399863)	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA
50045438	1	ChEMBL_1462960 (CHEMBL3398670)	Inhibition of human F10a using chromogenic substrate S-2765 preincubated for 10 mins by spectrophotometry
50045438	2	ChEMBL_1462961 (CHEMBL3398671)	Inhibition of thrombin (unknown origin) using chromogenic substrate S-2238 by spectrophotometry
50045438	3	ChEMBL_1462962 (CHEMBL3398672)	Inhibition of trypsin (unknown origin) using chromogenic substrate S-2222 by spectrophotometry
50045439	1	ChEMBL_1462965 (CHEMBL3398675)	Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhibition of amyloid beta 42 formation after 24 hrs by ELISA
50045439	2	ChEMBL_1462969 (CHEMBL3398679)	Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid substrate by HPLC analysis
50045439	3	ChEMBL_1462966 (CHEMBL3398676)	Activation of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as amyloid beta 38 formation after 24 hrs by ELISA
50045439	4	ChEMBL_1462967 (CHEMBL3398677)	Activation of human PPARgamma ligand binding domain expressed in COS7 cells by dual luciferase reporter gene assay
50015802	2	ChEMBL_305189 (CHEMBL832777)	Inhibition of cyclin-dependent kinase 5/p25
50015802	4	ChEMBL_305628 (CHEMBL828661)	Inhibition of cyclin-dependent kinase 5/p25; range 0.1-0.2
50015802	3	ChEMBL_305659 (CHEMBL874434)	Inhibition of cyclin-dependent kinase 5/p25; range 0.16-0.2
50045439	5	ChEMBL_1462978 (CHEMBL3398722)	Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysis
50045439	6	ChEMBL_1462979 (CHEMBL3398723)	Inhibition of human recombinant COX2-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysis
50045439	7	ChEMBL_1462977 (CHEMBL3398721)	Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 addition by RP-HPLC analysis
50045439	8	ChEMBL_1462983 (CHEMBL3398727)	Inhibition of CHAPSO-solubilized gamma-secretase isolated from human SH-SY5Y P2 cell membranes assessed as reduction in Abeta(1 to 42) peptide generation from recombinant C100Flag substrate by electrochemiluminescence assay
50045440	1	ChEMBL_1463057 (CHEMBL3398907)	Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-inducted alkaline phosphatase expression after 24 hrs by plate reader analysis
50045440	2	ChEMBL_1463058 (CHEMBL3398908)	Displacement of [1,2,6,7-3H]progesterone from human recombinant PR LBD after 24 hrs by liquid scintillation counting analysis
50015804	1	ChEMBL_302444 (CHEMBL827141)	Binding affinity for human dopamine receptor D3
50015804	4	ChEMBL_302368 (CHEMBL829549)	Binding affinity for Dopamine receptor D4
50015804	2	ChEMBL_302793 (CHEMBL839477)	Binding affinity for human dopamine receptor D2 long
50015804	3	ChEMBL_302707 (CHEMBL839579)	Binding affinity for human dopamine receptor D3
50015807	1	ChEMBL_302172 (CHEMBL829239)	In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells
50015807	2	ChEMBL_302173 (CHEMBL830076)	In vitro binding affinity for growth factor receptor bound protein 2 SH2 domain from human breast cancer cells
50015812	7	ChEMBL_302736 (CHEMBL838683)	Binding affinity for human dopamine D2 receptor
50015812	3	ChEMBL_302737 (CHEMBL838684)	Binding affinity for human dopamine D3 receptor
50015812	4	ChEMBL_302580 (CHEMBL875219)	Binding affinity for human dopamine D4 receptor
50015812	6	ChEMBL_310667 (CHEMBL838014)	Inhibition of quinpirole stimulation of mitogenesis at human dopamine D3 receptors expressed in Chinese hamster ovary cells
50015812	5	ChEMBL_310666 (CHEMBL838013)	Inhibition of quinpirole stimulation of mitogenesis at human dopamine D2 receptors expressed in Chinese hamster ovary cells
50015812	1	ChEMBL_302843 (CHEMBL827888)	Binding affinity for human dopamine D3 receptor
50015812	2	ChEMBL_302443 (CHEMBL827140)	Binding affinity for human dopamine D2 receptor
50015813	1	ChEMBL_304671 (CHEMBL827871)	In vitro inhibitory activity against porcine Na+/K+-ATPase
50015818	1	ChEMBL_306495 (CHEMBL828100)	Inhibitory concentration against human nonpancreatic secretory phospholipase A2
50015818	2	ChEMBL_306563 (CHEMBL829138)	Inhibitory concentration against human nonpancreatic secretory phospholipase A2
50015819	102	ChEMBL_325094 (CHEMBL860911)	Average Binding Constant for FGFR1; NA=Not Active at 10 uM
50015819	98	ChEMBL_325012 (CHEMBL860646)	Average Binding Constant for BIKE; NA=Not Active at 10 uM
50015819	43	ChEMBL_325053 (CHEMBL860789)	Average Binding Constant for GAK; NA=Not Active at 10 uM
50015819	86	ChEMBL_325116 (CHEMBL861048)	Average Binding Constant for PTK6; NA=Not Active at 10 uM
50015819	5	ChEMBL_325102 (CHEMBL860919)	Average Binding Constant for PDGFRB; NA=Not Active at 10 uM
50015819	101	ChEMBL_325095 (CHEMBL860912)	Average Binding Constant for FGFR2; NA=Not Active at 10 uM
50045441	1	ChEMBL_1463059 (CHEMBL3398909)	Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT
50015819	118	ChEMBL_325097 (CHEMBL860914)	Average Binding Constant for p38-alpha; NA=Not Active at 10 uM
50015819	20	ChEMBL_325034 (CHEMBL860668)	Average Binding Constant for NEK2; NA=Not Active at 10 uM
50015819	28	ChEMBL_325068 (CHEMBL860804)	Average Binding Constant for RPS6KA2 (Kin.Dom. 1); NA=Not Active at 10 uM
50015819	46	ChEMBL_325052 (CHEMBL860788)	Average Binding Constant for RIPK2; NA=Not Active at 10 uM
50015819	11	ChEMBL_325046 (CHEMBL860782)	Average Binding Constant for STK17B; NA=Not Active at 10 uM
50015819	48	ChEMBL_325001 (CHEMBL860637)	Average Binding Constant for FGR; NA=Not Active at 10 uM
50045441	2	ChEMBL_1463061 (CHEMBL3398911)	Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET
50045441	3	ChEMBL_1463060 (CHEMBL3398910)	Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT
50015819	45	ChEMBL_325051 (CHEMBL860787)	Average Binding Constant for Aurora3; NA=Not Active at 10 uM
50015819	49	ChEMBL_325000 (CHEMBL860636)	Average Binding Constant for EPHB4; NA=Not Active at 10 uM
50015819	82	ChEMBL_325019 (CHEMBL860653)	Average Binding Constant for SLK; NA=Not Active at 10 uM
50015819	116	ChEMBL_325099 (CHEMBL860916)	Average Binding Constant for p38-beta; NA=Not Active at 10 uM
50015819	95	ChEMBL_325013 (CHEMBL860647)	Average Binding Constant for STK36; NA=Not Active at 10 uM
50015819	59	ChEMBL_325084 (CHEMBL860901)	Average Binding Constant for CAMK1; NA=Not Active at 10 uM
50015819	30	ChEMBL_325064 (CHEMBL860800)	Average Binding Constant for MYLK2; NA=Not Active at 10 uM
50015819	33	ChEMBL_325067 (CHEMBL860803)	Average Binding Constant for NTRK1; NA=Not Active at 10 uM
50015819	4	ChEMBL_325101 (CHEMBL860918)	Average Binding Constant for KIT; NA=Not Active at 10 uM
50015819	42	ChEMBL_325056 (CHEMBL859643)	Average Binding Constant for p38-gamma; NA=Not Active at 10 uM
50015819	117	ChEMBL_325098 (CHEMBL860915)	Average Binding Constant for LCK; NA=Not Active at 10 uM
50015819	69	ChEMBL_325078 (CHEMBL860895)	Average Binding Constant for JNK2; NA=Not Active at 10 uM
50015819	7	ChEMBL_325042 (CHEMBL860778)	Average Binding Constant for EPHA3; NA=Not Active at 10 uM
50015819	51	ChEMBL_325004 (CHEMBL860640)	Average Binding Constant for ULK3 m; NA=Not Active at 10 uM
50015819	16	ChEMBL_325041 (CHEMBL860777)	Average Binding Constant for EPHA8; NA=Not Active at 10 uM
50015819	111	ChEMBL_325105 (CHEMBL859867)	Average Binding Constant for EGFR; NA=Not Active at 10 uM
50015819	40	ChEMBL_325058 (CHEMBL860794)	Average Binding Constant for TEK; NA=Not Active at 10 uM
50015819	31	ChEMBL_325065 (CHEMBL860801)	Average Binding Constant for FGFR3; NA=Not Active at 10 uM
50015819	10	ChEMBL_325045 (CHEMBL860781)	Average Binding Constant for STK10; NA=Not Active at 10 uM
50015819	79	ChEMBL_325022 (CHEMBL860656)	Average Binding Constant for CAMK1G; NA=Not Active at 10 uM
50015819	83	ChEMBL_325017 (CHEMBL860651)	Average Binding Constant for MKNK2; NA=Not Active at 10 uM
50015819	8	ChEMBL_325043 (CHEMBL860779)	Average Binding Constant for EPHA2; NA=Not Active at 10 uM
50015819	56	ChEMBL_325083 (CHEMBL860900)	Average Binding Constant for VEGFR2; NA=Not Active at 10 uM
50015819	15	ChEMBL_325040 (CHEMBL860776)	Average Binding Constant for TTK; NA=Not Active at 10 uM
50015819	39	ChEMBL_325057 (CHEMBL859644)	Average Binding Constant for CDK5; NA=Not Active at 10 uM
50015819	60	ChEMBL_325087 (CHEMBL860904)	Average Binding Constant for JAK1 (Kin.Dom. 1); NA=Not Active at 10 uM
50015819	87	ChEMBL_325117 (CHEMBL861049)	Average Binding Constant for SRC; NA=Not Active at 10 uM
50015819	29	ChEMBL_325069 (CHEMBL860805)	Average Binding Constant for LYN; NA=Not Active at 10 uM
50015819	38	ChEMBL_325059 (CHEMBL860795)	Average Binding Constant for PHkg2; NA=Not Active at 10 uM
50015819	3	ChEMBL_325039 (CHEMBL860775)	Average Binding Constant for FRK; NA=Not Active at 10 uM
50015819	68	ChEMBL_325071 (CHEMBL860888)	Average Binding Constant for FYN; NA=Not Active at 10 uM
50015819	27	ChEMBL_325030 (CHEMBL860664)	Average Binding Constant for EPHA4; NA=Not Active at 10 uM
50015819	107	ChEMBL_325007 (CHEMBL859485)	Average Binding Constant for TNIK; NA=Not Active at 10 uM
50015819	35	ChEMBL_325061 (CHEMBL860797)	Average Binding Constant for FLT3; NA=Not Active at 10 uM
50015819	77	ChEMBL_325024 (CHEMBL860658)	Average Binding Constant for CAMKK1; NA=Not Active at 10 uM
50015819	23	ChEMBL_325037 (CHEMBL860773)	Average Binding Constant for CLK2; NA=Not Active at 10 uM
50015819	99	ChEMBL_325011 (CHEMBL859489)	Average Binding Constant for PIM2; NA=Not Active at 10 uM
50015819	96	ChEMBL_325015 (CHEMBL860649)	Average Binding Constant for STK3_m; NA=Not Active at 10 uM
50015819	24	ChEMBL_325038 (CHEMBL860774)	Average Binding Constant for CLK1; NA=Not Active at 10 uM
50045442	1	ChEMBL_1463081 (CHEMBL3398995)	Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate reader analysis
50015819	41	ChEMBL_325055 (CHEMBL859642)	Average Binding Constant for YES; NA=Not Active at 10 uM
50015819	1	ChEMBL_325103 (CHEMBL860920)	Average Binding Constant for ERBB2; NA=Not Active at 10 uM
50015819	104	ChEMBL_325006 (CHEMBL860642)	Average Binding Constant for MAP4K5; NA=Not Active at 10 uM
50015819	18	ChEMBL_325028 (CHEMBL860662)	Average Binding Constant for ACK1; NA=Not Active at 10 uM
50045443	1	ChEMBL_1463173 (CHEMBL3399229)	Inhibition of HIV-1 integrase after 1 hr by strand transfer activity assay
50015819	34	ChEMBL_325060 (CHEMBL860796)	Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM
50015819	37	ChEMBL_325063 (CHEMBL860799)	Average Binding Constant for JNK1; NA=Not Active at 10 uM
50045444	1	ChEMBL_1463206 (CHEMBL3399311)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins by Ellman's method
50015819	55	ChEMBL_325080 (CHEMBL860897)	Average Binding Constant for PHkg1; NA=Not Active at 10 uM
50015819	13	ChEMBL_325048 (CHEMBL860784)	Average Binding Constant for STK18; NA=Not Active at 10 uM
50015819	84	ChEMBL_325018 (CHEMBL860652)	Average Binding Constant for CLK4; NA=Not Active at 10 uM
50015819	44	ChEMBL_325054 (CHEMBL859641)	Average Binding Constant for Aurora2; NA=Not Active at 10 uM
50015819	21	ChEMBL_325031 (CHEMBL860665)	Average Binding Constant for EPHB1; NA=Not Active at 10 uM
50015819	6	ChEMBL_325100 (CHEMBL860917)	Average Binding Constant for DAPK3; NA=Not Active at 10 uM
50015819	57	ChEMBL_325082 (CHEMBL860899)	Average Binding Constant for ABL2; NA=Not Active at 10 uM
50045444	2	ChEMBL_1463207 (CHEMBL3399312)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate incubated for 5 mins by Ellman's method
50015819	105	ChEMBL_325092 (CHEMBL860909)	Average Binding Constant for DAPK2; NA=Not Active at 10 uM
50015819	12	ChEMBL_325047 (CHEMBL860783)	Average Binding Constant for STK16; NA=Not Active at 10 uM
50015819	17	ChEMBL_325029 (CHEMBL860663)	Average Binding Constant for PCTK1; NA=Not Active at 10 uM
50015819	73	ChEMBL_325079 (CHEMBL860896)	Average Binding Constant for PRKAA1; NA=Not Active at 10 uM
50015819	75	ChEMBL_325026 (CHEMBL860660)	Average Binding Constant for EPHA7; NA=Not Active at 10 uM
50015819	76	ChEMBL_325025 (CHEMBL860659)	Average Binding Constant for CAMK1D; NA=Not Active at 10 uM
50015819	14	ChEMBL_325049 (CHEMBL860785)	Average Binding Constant for MARK2; NA=Not Active at 10 uM
50015819	70	ChEMBL_325077 (CHEMBL860894)	Average Binding Constant for JNK3; NA=Not Active at 10 uM
50015819	25	ChEMBL_325035 (CHEMBL860771)	Average Binding Constant for BMX; NA=Not Active at 10 uM
50015819	74	ChEMBL_325027 (CHEMBL860661)	Average Binding Constant for STK4; NA=Not Active at 10 uM
50045445	1	ChEMBL_1463277 (CHEMBL3399466)	Inhibition of human PDE10A
50045445	2	ChEMBL_1463279 (CHEMBL3399468)	Displacement of [3H]MPPF from 5HT1A receptor in Sprague-Dawley rat hippocampal membrane fraction incubated for 60 mins by scintillation counting method
50045445	3	ChEMBL_1463282 (CHEMBL3399471)	Inhibition of human ITK
50045445	4	ChEMBL_1463284 (CHEMBL3399473)	Inhibition of BTK (unknown origin) using ATP and Y5 Sox15 substrate mix incubated for 30 mins by fluorescence based assay
50015819	19	ChEMBL_325033 (CHEMBL860667)	Average Binding Constant for LIMK1; NA=Not Active at 10 uM
50045446	1	ChEMBL_1463288 (CHEMBL3399477)	Inhibition of human VDR-cofactor interaction by EnBio receptor cofactor assay system
50045447	1	ChEMBL_1463291 (CHEMBL3399480)	Inhibition of VEGFR2 (unknown origin) using ATP measured luminescence by ADP-Glo Kinase assay
50015819	64	ChEMBL_325070 (CHEMBL860887)	Average Binding Constant for HCK; NA=Not Active at 10 uM
50015819	108	ChEMBL_325090 (CHEMBL860907)	Average Binding Constant for CSK; NA=Not Active at 10 uM
50015819	66	ChEMBL_325073 (CHEMBL860890)	Average Binding Constant for CDK2; NA=Not Active at 10 uM
50015819	22	ChEMBL_325032 (CHEMBL860666)	Average Binding Constant for EPHA5; NA=Not Active at 10 uM
50045448	1	ChEMBL_1463301 (CHEMBL3399528)	Antagonist activity against CCR5 (unknown origin) expressed in CHO cells co-expressing Galpha16 incubated for 10 mins assessed as inhibition of RANTES-induced calcium mobilization
50015819	58	ChEMBL_325085 (CHEMBL860902)	Average Binding Constant for CSNK1E; NA=Not Active at 10 uM
50015819	9	ChEMBL_325044 (CHEMBL860780)	Average Binding Constant for FER; NA=Not Active at 10 uM
50015819	90	ChEMBL_325113 (CHEMBL861045)	Average Binding Constant for CAMK2G; NA=Not Active at 10 uM
50015819	85	ChEMBL_325118 (CHEMBL861050)	Average Binding Constant for STK38L; NA=Not Active at 10 uM
50015819	62	ChEMBL_325089 (CHEMBL860906)	Average Binding Constant for RPS6KA5 (Kin.Dom 1); NA=Not Active at 10 uM
50045449	1	ChEMBL_1463313 (CHEMBL3399540)	Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 pre-incubated with compound before enzyme addition using poly(rA) template and measured after 40 mins by picogreen based spectrofluorometry
50045449	2	ChEMBL_1463323 (CHEMBL3399550)	Inhibition of HIV1 reverse transcriptase V106A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045449	3	ChEMBL_1463324 (CHEMBL3399551)	Inhibition of HIV1 reverse transcriptase Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045449	4	ChEMBL_1463325 (CHEMBL3399552)	Inhibition of HIV1 reverse transcriptase G190A mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045449	5	ChEMBL_1463326 (CHEMBL3399553)	Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045449	6	ChEMBL_1463329 (CHEMBL3399602)	Inhibition of HIV1 ribonuclease H pre-incubated with compound before enzyme addition using using RNA/DNA heteroduplex and measured after 60 mins by picogreen based spectrofluorometry
50045449	7	ChEMBL_1463321 (CHEMBL3399548)	Inhibition of HIV1 reverse transcriptase L100I mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045449	8	ChEMBL_1463322 (CHEMBL3399549)	Inhibition of HIV1 reverse transcriptase K103N mutant using radioactively-labeled [alpha-32P]ATP substrate and activated DNA as template-primer complex
50045450	1	ChEMBL_1463404 (CHEMBL3399741)	Inhibition of NH2-terminal glutathione S-transferase fused human recombinant IGF-IR catalytic domain expressed in insect cells using poly(Glu:Tyr) substrate by ELISA-based assay
50015819	91	ChEMBL_325112 (CHEMBL861044)	Average Binding Constant for ABL1(Y253F); NA=Not Active at 10 uM
50015819	100	ChEMBL_325096 (CHEMBL860913)	Average Binding Constant for CSNK1G1; NA=Not Active at 10 uM
50045451	1	ChEMBL_1463422 (CHEMBL3399759)	Inhibition of IL4-induced JAK2 autophosphorylation in human HT-29 cells by SDS-polyacrylamide gel electrophoresis and Western blot method
50045452	6	ChEMBL_1463424 (CHEMBL3399761)	Inhibition of human neutrophil elastase measured for 30 mins by spectrophotometry
50015819	53	ChEMBL_325002 (CHEMBL860638)	Average Binding Constant for BTK; NA=Not Active at 10 uM
50015819	106	ChEMBL_325091 (CHEMBL860908)	Average Binding Constant for PIM1; NA=Not Active at 10 uM
50015819	54	ChEMBL_325081 (CHEMBL860898)	Average Binding Constant for PTK2; NA=Not Active at 10 uM
50045452	5	ChEMBL_1463437 (CHEMBL3399809)	Inhibition of recombinant mouse neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-pnitroanilide as substrate preincubated for 15 mins before substrate addition measured after 90 mins by spectrophotometry
50045452	4	ChEMBL_1463426 (CHEMBL3399763)	Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry
50015819	71	ChEMBL_325076 (CHEMBL860893)	Average Binding Constant for CAMK2D; NA=Not Active at 10 uM
50045453	1	ChEMBL_1462596 (CHEMBL3399259)	Inhibition of human recombinant 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced increase in Ca2+ level pretreated for 10 mins by cAMP accumulation assay
50045453	2	ChEMBL_1462593 (CHEMBL3399256)	Displacement of [3H]Ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells after 15 mins
50015819	26	ChEMBL_325036 (CHEMBL860772)	Average Binding Constant for CLK3; NA=Not Active at 10 uM
50015819	61	ChEMBL_325086 (CHEMBL860903)	Average Binding Constant for JAK2 (Kin.Dom. 2); NA=Not Active at 10 uM
50045453	3	ChEMBL_1462595 (CHEMBL3399258)	Displacement of [3H]Mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells after 15 mins
50015819	72	ChEMBL_325075 (CHEMBL860892)	Average Binding Constant for CSNK1G2; NA=Not Active at 10 uM
50015820	2	ChEMBL_303532 (CHEMBL839646)	In vitro binding affinity for human kappa opioid receptor was determined by using [3H]diprenorphine as radioligand
50015820	1	ChEMBL_310602 (CHEMBL837181)	In vitro effective concentration towards human kappa opioid receptor was determined using [35S]-GTP-gamma S as radioligand; Not determined
50045454	1	ChEMBL_1462611 (CHEMBL3399274)	Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins using ATRA and NADPH by HPLC method
50045455	1	ChEMBL_1463127 (CHEMBL3399110)	Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay
50045455	2	ChEMBL_1463126 (CHEMBL3399109)	Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization binding assay
50046792	3	ChEMBL_1526856 (CHEMBL3636924)	Displacement of [3H]PK11195 from TSPO in human HEK293T cell membranes incubated for 90 mins by competition radioligand binding assay
50046792	1	ChEMBL_1526857 (CHEMBL3636925)	Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay
50046808	1	ChEMBL_1527144 (CHEMBL3635454)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as formation of the DOPA chrome preincubated for 10 mins followed by substrate addition measured for 1 min by spectrophotometric analysis
50015831	1	ChEMBL_303517 (CHEMBL839631)	Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]iodomelatonin
50015831	2	ChEMBL_303518 (CHEMBL839632)	Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]iodomelatonin
50015832	2	ChEMBL_304739 (CHEMBL876477)	Inhibitory concentration against neuronal nitric acid synthase
50015832	1	ChEMBL_304747 (CHEMBL829346)	Inhibitory concentration against inducible nitric acid synthase
50015834	3	ChEMBL_303259 (CHEMBL826385)	In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line
50015834	2	ChEMBL_302656 (CHEMBL839945)	In vitro binding affinity against rat CC chemokine receptor 3
50015834	1	ChEMBL_302710 (CHEMBL839582)	In vitro binding affinity against monkey CC chemokine receptor 3
50015835	4	ChEBML_304686	Inhibitory concentration against Caspase-8
50015835	6	ChEBML_304770	Inhibitory concentration against human caspase-3
50015835	2	ChEBML_304687	Inhibitory concentration against Caspase-9
50015835	8	ChEBML_304682	Inhibitory concentration against Calpain 1
50015835	7	ChEBML_304684	Inhibitory concentration against Caspase-6
50015835	3	ChEBML_304685	Inhibitory concentration against Caspase-7
50015836	1	ChEMBL_302160 (CHEMBL829228)	Apparent dissociation constant for human growth factor receptor bound protein 2
50046809	1	ChEMBL_1527238 (CHEMBL3636004)	Antagonist activity at human 5-HT2A receptor assessed as inhibition of 5-HT-mediated internal calcium mobilization by FLIPR assay
50046809	2	ChEMBL_1527267 (CHEMBL3636146)	Displacement of [3H]-GR127543 from recombinant human 5-HT1B receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	3	ChEMBL_1527268 (CHEMBL3636147)	Displacement of [3H]-GR127543 from recombinant human 5-HT1D receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	4	ChEMBL_1527269 (CHEMBL3636148)	Displacement of [3H]-5-HT from recombinant human 5-HT1E receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	5	ChEMBL_1527270 (CHEMBL3636149)	Displacement of [3H]-LSD from recombinant human 5-HT2B receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	6	ChEMBL_1527271 (CHEMBL3636150)	Displacement of [3H]-LY278584 from recombinant human 5-HT3 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	7	ChEMBL_1527272 (CHEMBL3636151)	Displacement of [3H]-LSD from recombinant human 5-HT7 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	8	ChEMBL_1527273 (CHEMBL3636152)	Displacement of [3H]-Clonidine from recombinant human adrenergic alpha2B receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	9	ChEMBL_1527274 (CHEMBL3636153)	Displacement of [3H]-Clonidine from recombinant human adrenergic alpha2C receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	10	ChEMBL_1527275 (CHEMBL3636154)	Displacement of [3H]-SCH233930 from recombinant human dopamine D1 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	11	ChEMBL_1527276 (CHEMBL3636155)	Displacement of [3H]-N-methylspiperone from recombinant human dopamine D3 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50015839	1	ChEMBL_306583 (CHEMBL832930)	Inhibitory concentration towards binding of [125I]glucagon to the human glucagon receptor expressed in CHO cells
50015840	1	ChEMBL_303063 (CHEMBL828889)	Binding affinity was determined against human gonadotropin-releasing hormone receptor
50015842	1	ChEMBL_305923 (CHEMBL833470)	Inhibitory concentration of fatty acid amide hydrolase using FP-Rh radioligand
50015842	3	ChEMBL_303730 (CHEMBL829636)	Inhibitor affinity towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or FP-Rh)
50015842	2	ChEMBL_305902 (CHEMBL832566)	Inhibitory concentration of triacylgylcerol hydrolase using FP-Rh radioligand
50015843	1	ChEMBL_306103 (CHEMBL830878)	Inhibitory concentration against Vascular endothelial growth factor receptor 2
50015844	1	ChEMBL_306671 (CHEMBL832272)	Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells
50015844	2	ChEMBL_304364 (CHEMBL840104)	Effective concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells
50015846	2	ChEMBL_305775 (CHEMBL827964)	In vitro inhibitory concentration against heme oxygenase 2 from rat brain
50015846	1	ChEMBL_305810 (CHEMBL829463)	In vitro inhibitory concentration against heme oxygenase 1 from rat spleen
50045455	3	ChEMBL_1463134 (CHEMBL3399117)	Inhibition of CYP2C9 (unknown origin)
50045455	4	ChEMBL_1463135 (CHEMBL3399118)	Inhibition of CYP2C19 (unknown origin)
50045455	5	ChEMBL_1463124 (CHEMBL3399107)	Agonist activity at GAL4 tagged human PPARgamma ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay
50045455	6	ChEMBL_1463123 (CHEMBL3399106)	Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization binding assay
50015848	2	ChEMBL_310684 (CHEMBL837403)	Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in HEK293 cells was determined by measuring [3H]phosphoinositol release
50015848	1	ChEMBL_310683 (CHEMBL837402)	Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in HEK293 cells was determined by measuring [3H]phosphoinositol release
50015848	3	ChEMBL_310685 (CHEMBL837404)	Effective concentration towards 5-hydroxytryptamine 2B receptors transfected in HEK293 cells was determined by measuring [3H]phosphoinositol release
50015849	1	ChEMBL_302224 (CHEMBL826997)	In vitro dissociation constant for heat shock 90 kDa protein alpha
50015852	4	ChEBML_306470	Inhibition of family 13 alpha-glucosidase isoform I from honey bee at 1 umol/mL
50046809	12	ChEMBL_1527277 (CHEMBL3636156)	Displacement of [3H]-Tiotidine from recombinant human histamine H2 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	13	ChEMBL_1527278 (CHEMBL3636157)	Displacement of [3H]-Tiotidine from recombinant human muscarinic M5 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50015854	3	ChEMBL_304215 (CHEMBL829755)	Effective concentration for human peroxisome proliferator-activated receptor gamma
50015854	1	ChEMBL_304213 (CHEMBL829753)	Effective concentration for human peroxisome proliferator-activated receptor alpha
50015854	2	ChEMBL_304214 (CHEMBL829754)	Effective concentration for human peroxisome proliferator-activated receptor delta
50045456	1	ChEMBL_1463243 (CHEMBL3399385)	Activation of human TLR8 expressed in HEK293 cells after 24 hrs by NFkappaB-mediated SEAP reporter gene assay
50015855	2	ChEMBL_304261 (CHEMBL829031)	Effective concentration for glucokinase activation with 5 mM glucose
50015855	1	ChEMBL_304263 (CHEMBL829033)	Effective concentration for glucokinase activation with 15 mM glucose
50015856	2	ChEMBL_305295 (CHEMBL832843)	Inhibition of estrogen receptor beta
50015856	1	ChEMBL_305325 (CHEMBL833547)	Inhibition of estrogen receptor alpha
50045456	2	ChEMBL_1463242 (CHEMBL3399384)	Activation of human TLR7 expressed in HEK293 cells after 24 hrs by NFkappaB-mediated SEAP reporter gene assay
50045457	1	ChEMBL_1463267 (CHEMBL3399456)	Inhibition of mouse GAT3 expressed in HEK293 cells by [3H]GABA uptake assay
50045457	2	ChEMBL_1463263 (CHEMBL3399452)	Inhibition of mouse GAT1 expressed in HEK293 cells by [3H]GABA uptake assay
50045457	3	ChEMBL_1463271 (CHEMBL3399460)	Inhibition of human GAT1 expressed in HEK293 cells by [3H]GABA uptake assay
50045457	4	ChEMBL_1463273 (CHEMBL3399462)	Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay
50045457	5	ChEMBL_1463274 (CHEMBL3399463)	Binding affinity to mouse GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay
50045457	6	ChEMBL_1463269 (CHEMBL3399458)	Inhibition of mouse GAT4 expressed in HEK293 cells by [3H]GABA uptake assay
50015859	2	ChEMBL_305673 (CHEMBL827942)	In vitro inhibitory activity against human lipoprotein-associated phospholipase A2
50015859	1	ChEMBL_304999 (CHEMBL829435)	In vitro inhibitory activity against human Lp-PLA2
50045457	7	ChEMBL_1463265 (CHEMBL3399454)	Inhibition of mouse GAT2 expressed in HEK293 cells by [3H]GABA uptake assay
50015863	3	ChEMBL_302802 (CHEMBL838510)	Inhibitory constant against thymidylate synthase from Escherichia coli
50015863	2	ChEMBL_302848 (CHEMBL827892)	Inhibitory constant against thymidylate synthase from Lactobacillus casei
50015863	1	ChEMBL_302477 (CHEMBL875209)	Inhibitory constant against human thymidylate synthase
50015865	1	ChEMBL_306068 (CHEMBL833023)	In vitro inhibition of human alphaIIb betaIIIa integrin binding in ELISA
50015865	2	ChEMBL_305908 (CHEMBL832623)	In vitro inhibition of human alphaV-beta3 integrin binding in ELISA
50015865	4	ChEMBL_305909 (CHEMBL832624)	In vitro inhibition of human alphaV-beta5 integrin binding in ELISA
50015865	3	ChEMBL_305907 (CHEMBL832622)	In vitro inhibition of human alpha5-beta1 integrin binding in ELISA
50045458	1	ChEMBL_1463344 (CHEMBL3399617)	Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis
50045458	2	ChEMBL_1463343 (CHEMBL3399616)	Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis
50045458	3	ChEMBL_1463352 (CHEMBL3399625)	Inhibition of human recombinant MAO-A assessed as kynuramine substrate by Lineweaver-Burk plot analysis
50045458	4	ChEMBL_1463353 (CHEMBL3399626)	Inhibition of human recombinant MAO-B assessed as kynuramine substrate by Lineweaver-Burk plot analysis
50045459	1	ChEMBL_1463379 (CHEMBL3399688)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates in absence of phenylmethanesulfonyl fluoride
50045459	2	ChEMBL_1463375 (CHEMBL3399684)	Inhibition of rat FAAH
50045459	3	ChEMBL_1463377 (CHEMBL3399686)	Inhibition of human NAAA
50045459	4	ChEMBL_1463380 (CHEMBL3399689)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells
50045459	5	ChEMBL_1463374 (CHEMBL3399683)	Inhibition of human FAAH
50045459	6	ChEMBL_1463378 (CHEMBL3399687)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates in presence of phenylmethanesulfonyl fluoride
50045459	7	ChEMBL_1463376 (CHEMBL3399685)	Inhibition of human MGL
50045459	8	ChEMBL_1463381 (CHEMBL3399690)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells
50045460	1	ChEMBL_1463477 (CHEMBL3399887)	Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay
50045460	2	ChEMBL_1463476 (CHEMBL3399886)	Inhibition of activated Erk2 (unknown origin) by biochemical assay
50045460	3	ChEMBL_1463475 (CHEMBL3399885)	ATP competitive inhibition of activated Erk2 (unknown origin) by biochemical assay
50045460	4	ChEMBL_1463474 (CHEMBL3399884)	Binding affinity to activated Erk2 (unknown origin) by TdF assay
50045460	5	ChEMBL_1463473 (CHEMBL3399883)	Binding affinity to non-phosphorylated Erk2 (unknown origin) by TdF assay
50045461	1	ChEMBL_1463480 (CHEMBL3399890)	Inhibition of MMP3 catalytic domain (unknown origin) assessed as reduction in hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins after substrate addition by fluorescence assay
50015876	1	ChEMBL_302885 (CHEMBL828799)	Inhibition of [3H]prazosin binding to human adrenergic alpha-1A receptor expressed in CHO-K1 cell membranes
50045461	2	ChEMBL_1463481 (CHEMBL3399891)	Inhibition of MMP13 catalytic domain (unknown origin) assessed as reduction in hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins after substrate addition by fluorescence assay
50045462	1	ChEMBL_1463565 (CHEMBL3398783)	Inhibition of plasmin (unknown origin)
50045462	2	ChEMBL_1463566 (CHEMBL3398784)	Inhibition of TPA (unknown origin)
50045462	3	ChEMBL_1463560 (CHEMBL3398778)	Inhibition of coagulation factor 10a (unknown origin)
50045462	4	ChEMBL_1463561 (CHEMBL3398779)	Inhibition of thrombin (unknown origin)
50045462	5	ChEMBL_1463562 (CHEMBL3398780)	Inhibition of plasma kallikrein (unknown origin)
50045462	6	ChEMBL_1463563 (CHEMBL3398781)	Inhibition of tissue kallikrein (unknown origin)
50045462	7	ChEMBL_1463498 (CHEMBL3399908)	Inhibition of human coagulation factor 11a at 37 degC
50045462	8	ChEMBL_1463558 (CHEMBL3398776)	Inhibition of coagulation factor 7a (unknown origin)
50045462	9	ChEMBL_1463559 (CHEMBL3398777)	Inhibition of coagulation factor 9a (unknown origin)
50045462	10	ChEMBL_1463487 (CHEMBL3399897)	Inhibition of human trypsin at 25 degC
50045462	11	ChEMBL_1463486 (CHEMBL3399896)	Inhibition of human coagulation factor 11a at 25 degC
50045463	1	ChEMBL_1463572 (CHEMBL3398790)	Inhibition of BACE1 (unknown origin)
50045464	1	ChEMBL_1463677 (CHEMBL3399136)	Inhibition of SETDB1 (unknown origin) by HMT assay
50045464	2	ChEMBL_1463676 (CHEMBL3399063)	Inhibition of SETD7 (unknown origin) by HMT assay
50045464	3	ChEMBL_1463680 (CHEMBL3399139)	Inhibition of SUV420H2 (unknown origin) by HMT assay
50045464	4	ChEMBL_1463679 (CHEMBL3399138)	Inhibition of SUV39H2 (unknown origin) by HMT assay
50045464	5	ChEMBL_1463678 (CHEMBL3399137)	Inhibition of SUV39H1 (unknown origin) by HMT assay
50045464	6	ChEMBL_1463615 (CHEMBL3398933)	Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cells assessed as inhibition of methylation of nucleosomes at H3K27 by scintillation counting in presence of [3H]SAM
50045464	7	ChEMBL_1463681 (CHEMBL3399140)	Inhibition of SMYD2 (unknown origin) by HMT assay
50045464	8	ChEMBL_1463675 (CHEMBL3399062)	Inhibition of MLL (unknown origin) by HMT assay
50045464	9	ChEMBL_1463674 (CHEMBL3399061)	Inhibition of EHMT1 (unknown origin) by HMT assay
50045464	10	ChEMBL_1463673 (CHEMBL3399060)	Inhibition of G9a (unknown origin) by HMT assay
50045464	11	ChEMBL_1463671 (CHEMBL3399058)	Inhibition of EZH1 (unknown origin) by HMT assay
50045465	1	ChEMBL_1463693 (CHEMBL3399152)	Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRalpha expressed in human Hela cell lysate measured after overnight incubation by competition binding assays
50045465	2	ChEMBL_1463692 (CHEMBL3399151)	Displacement of [125I]-L-3,5,3'-triiodothyronine from human TRbeta expressed in human Hela cell lysate measured after overnight incubation by competition binding assays
50045466	1	ChEMBL_1463722 (CHEMBL3399253)	Inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate after 30 mins by spectrophotometry
50015883	8	ChEMBL_302845 (CHEMBL827890)	Binding affinity for Human gonadotropin-releasing hormone receptor
50015883	3	ChEMBL_302818 (CHEMBL839508)	Binding affinity for Rat gonadotropin-releasing hormone receptor
50015883	5	ChEMBL_306304 (CHEMBL828596)	Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium flux
50015883	7	ChEMBL_302846 (CHEMBL876362)	Binding affinity for human gonadotropin-releasing hormone receptor
50015883	2	ChEMBL_302859 (CHEMBL828774)	Binding affinity for Monkey gonadotropin-releasing hormone receptor
50015883	6	ChEMBL_306144 (CHEMBL831379)	Inhibition of Rat gonadotropin-releasing hormone receptor(moderate affinity)
50015883	1	ChEMBL_305662 (CHEMBL828713)	Inhibition of Human gonadotropin-releasing hormone receptor
50015883	10	ChEMBL_305599 (CHEMBL828045)	Inhibition of Rat gonadotropin-releasing hormone receptor
50015883	9	ChEMBL_305657 (CHEMBL829515)	Inhibition of Human gonadotropin-releasing hormone receptor
50015883	4	ChEMBL_302819 (CHEMBL839509)	Binding affinity for rat gonadotropin-releasing hormone receptor
50045467	1	ChEMBL_1462508 (CHEMBL3398981)	Binding affinity to basic fibroblast growth factor (unknown origin) using sugar chip immobilized compound by surface plasmon resonance method
50045468	1	ChEMBL_1463782 (CHEMBL3404792)	Inhibition of FABP4 (unknown origin)
50045468	2	ChEMBL_1463783 (CHEMBL3404793)	Inhibition of FABP4 (unknown origin) relative to linoleic acid
50045468	3	ChEMBL_1463784 (CHEMBL3404794)	Inhibition of FABP3 (unknown origin) relative to linoleic acid
50045468	4	ChEMBL_1463786 (CHEMBL3404796)	Inhibition of FABP5 (unknown origin)
50045469	1	ChEMBL_1463789 (CHEMBL3404799)	Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
50045469	2	ChEMBL_1463791 (CHEMBL3404801)	Agonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
50045469	3	ChEMBL_1463793 (CHEMBL3404803)	Agonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
50045469	4	ChEMBL_1463795 (CHEMBL3404805)	Agonist activity at dog S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
50045469	5	ChEMBL_1463799 (CHEMBL3404962)	Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay
50045469	6	ChEMBL_1463801 (CHEMBL3404964)	Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay
50045469	7	ChEMBL_1463804 (CHEMBL3404967)	Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay
50045469	8	ChEMBL_1463805 (CHEMBL3404968)	Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay
50045469	9	ChEMBL_1463807 (CHEMBL3404970)	Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay
50045470	1	ChEMBL_1464106 (CHEMBL3406632)	Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins
50015899	2	ChEMBL_306651 (CHEMBL832988)	Inhibition of melanin concentrating hormone receptor 1 from human neuronal IMR-32 cells
50015899	1	ChEMBL_306622 (CHEMBL829924)	Inhibition of melanin concentrating hormone receptor 1 from human neuronal IMR-32 cells
50045470	2	ChEMBL_1464105 (CHEMBL3406631)	Inhibition of human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins
50045471	1	ChEMBL_1463872 (CHEMBL3405177)	Inhibition of human DPP4
50045472	1	ChEMBL_1464167 (CHEMBL3407033)	Inhibition of BTK in human Ramos cells after 20 mins by fluorescence assay
50045472	2	ChEMBL_1464166 (CHEMBL3407032)	Inhibition of BTK (unknown origin) after 1 hr by TR-FRET analysis
50015904	7	ChEMBL_305182 (CHEMBL832771)	Inhibition of platelet-derived growth factor receptor alpha
50015904	9	ChEMBL_305720 (CHEMBL829393)	Inhibition of proto-oncogene tyrosine-protein kinase kit in cell-intact assay
50015904	3	ChEMBL_305358 (CHEMBL832738)	Inhibition of mitogen activated protein kinase in cell-free assay
50015904	4	ChEMBL_305356 (CHEMBL832736)	Inhibition of epidermal growth factor receptor in cell-free assay
50015904	1	ChEMBL_305501 (CHEMBL831103)	Inhibition of fibroblast growth factor receptor 2 in cell-intact assay
50015904	14	ChEMBL_305452 (CHEMBL830127)	Inhibition of hepatocyte growth factor receptor in cell-intact assay
50015905	3	ChEMBL_303657 (CHEMBL829005)	Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 subtype expressed in L (tk-) cells
50015905	2	ChEMBL_303659 (CHEMBL830420)	Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2 subtype expressed in L (tk-) cells
50015905	1	ChEMBL_303660 (CHEMBL830421)	Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-5-beta-3-gamma-2 subtype expressed in L (tk-) cells
50015905	4	ChEMBL_303658 (CHEMBL829006)	Inhibition of [3H]Ro-151788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2 subtype expressed in L (tk-) cells
50015913	3	ChEMBL_305729 (CHEMBL829401)	Inhibition of Pneumocystis carinii dihydrofolate reductase
50015913	1	ChEMBL_305461 (CHEMBL830957)	Inhibition of rat liver dihydrofolate reductase
50015913	2	ChEMBL_305629 (CHEMBL828662)	Inhibition of Toxoplasma gondii dihydrofolate reductase
50045473	1	ChEMBL_1464170 (CHEMBL3407036)	Inhibition of human recombinant COX2 using PGEH2 as substrate after 10 mins by EIA
50045474	1	ChEMBL_1464363 (CHEMBL3404822)	Inhibition of human recombinant soluble MAO-B assessed as thermal shift after 20 mins by SYPRO orange staining-based fluorescence assay
50045474	2	ChEMBL_1464362 (CHEMBL3404821)	Binding affinity to human recombinant microsomal MAO-B by ITC
50045474	3	ChEMBL_1464355 (CHEMBL3404814)	Inhibition of MAO-B in rat whole brain homogenate in presence of clorgyline
50045474	4	ChEMBL_1464354 (CHEMBL3404813)	Inhibition of MAO-A in rat whole brain homogenate in presence of selegiline
50045474	5	ChEMBL_1464353 (CHEMBL3404812)	Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins by MAO-Glo assay
50045474	6	ChEMBL_1464177 (CHEMBL3407043)	Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins by MAO-Glo assay
50045475	1	ChEMBL_1464376 (CHEMBL3404835)	Inhibition of human ERG channel
50045476	1	ChEMBL_1464480 (CHEMBL3405422)	Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method
50045476	2	ChEMBL_1464479 (CHEMBL3405421)	Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method
50045476	3	ChEMBL_1464500 (CHEMBL3405622)	Displacement of PD156707 from rat ETA receptor after 1 hr by Lowry method
50045476	4	ChEMBL_1464501 (CHEMBL3405623)	Displacement of S6c from rat ETB receptor after 1 hr by Lowry method
50045477	1	ChEMBL_1464502 (CHEMBL3405624)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method
50015918	1	ChEMBL_303563 (CHEMBL828963)	Inhibition of [125I]eotaxin-1 binding to human chemokine receptor (hCCR3-C1)
50015919	1	ChEMBL_304153 (CHEMBL828133)	Concentration required to stimulate SHP-1 enzymatic activity by 50%
50015919	2	ChEMBL_302229 (CHEMBL827002)	Dissociation constant for the interaction with the GST-N-SH2 domain of SHP-1
50045478	1	ChEMBL_1464685 (CHEMBL3406875)	Competitive inhibition of full-length human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by scintillation counting
50045479	1	ChEMBL_1464792 (CHEMBL3404147)	Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosphorylated GS1 peptide
50045479	2	ChEMBL_1464794 (CHEMBL3404149)	Inhibition of recombinant human CYP1A2
50045479	3	ChEMBL_1464795 (CHEMBL3404150)	Inhibition of recombinant human CYP2D6
50045479	4	ChEMBL_1464796 (CHEMBL3404151)	Inhibition of recombinant human CYP3A4
50045480	1	ChEMBL_1464800 (CHEMBL3404155)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometry
50045481	1	ChEMBL_1464805 (CHEMBL3404160)	Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in presence of S-adenosylmethionine
50015926	1	ChEMBL_305934 (CHEMBL833481)	Inhibitory concentration against Hsp47 collagen chaperone in turbidity assay
50045482	1	ChEMBL_1464809 (CHEMBL3404164)	Inhibition of PI3Kalpha (unknown origin) by biochemical Alphascreen assay
50045482	3	ChEMBL_1464806 (CHEMBL3404161)	Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay
50015929	1	ChEMBL_305795 (CHEMBL827983)	Inhibitory concentration against human calcium receptor expressed in HEK 293 cells
50015931	1	ChEMBL_304142 (CHEMBL840258)	Binding affinity against metabotropic glutamate receptor 2
50045482	4	ChEMBL_1464807 (CHEMBL3404162)	Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay
50045482	5	ChEMBL_1464808 (CHEMBL3404163)	Inhibition of PI3Kbeta (unknown origin) by biochemical Alphascreen assay
50045483	1	ChEMBL_1464818 (CHEMBL3404173)	Agonist activity at Gal4-tagged LXRbeta (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay
50045483	2	ChEMBL_1464816 (CHEMBL3404171)	Agonist activity at Gal4-tagged LXRalpha (unknown origin) expressed in CHOK1 cells after 24 hrs by luciferase reporter gene assay
50045484	1	ChEMBL_1464910 (CHEMBL3404380)	Inhibition of FITC-GA binding to Hsp90alpha (unknown origin) ATPase site after 2 hrs by fluorescence polarization assay
50015935	1	ChEMBL_306157 (CHEMBL832345)	Concentration of 50% inhibition by compound towards mitogen activated protein kinase -activated protein kinase 2
50015938	1	ChEMBL_305485 (CHEMBL830276)	Inhibitory concentration against Neuropeptide Y receptor type 5 in mouse
50015941	2	ChEMBL_310207 (CHEMBL833812)	Effective concentration determined against melanocortin-5 receptor
50045485	1	ChEMBL_1464914 (CHEMBL3404384)	Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [3H]triolein by scintillation counting
50045485	2	ChEMBL_1464915 (CHEMBL3404385)	Irreversible inhibition of rat hormone sensitive lipase assessed as relative residual activity by kinetic analysis
50015941	4	ChEMBL_306331 (CHEMBL828675)	In vitro inhibitory concentration required against melanocortin 4 receptor using [125I]NDP-MSH as radioligand
50045486	1	ChEMBL_1464916 (CHEMBL3404386)	Positive allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay
50015945	2	ChEMBL_305328 (CHEMBL833549)	Inhibitory concentration against Matrix metalloprotease-13 at 1 uM
50015945	3	ChEMBL_305301 (CHEMBL832849)	Inhibitory concentration against matrix metalloprotease-1 at 1 uM
50015945	1	ChEMBL_305329 (CHEMBL833550)	Inhibitory concentration against TNF-alpha converting enzyme at 1 uM
50015946	2	ChEMBL_306905 (CHEMBL828348)	Inhibition of 2(S)-(4-125I-benzenesulphonylamino)-3-4-[2-(5,6,7,8-tetrahydro- [1,8]naphthyridin-2-yl)-ethyl]-benzoylamino-propionic acid binding to alphaV-beta3 integrin
50015946	3	ChEMBL_312574 (CHEMBL835240)	Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation (PLAGGIN15)
50015948	1	ChEMBL_304961 (CHEMBL827839)	Inhibitory concentration against tryptase
50015949	5	ChEMBL_305304 (CHEMBL832851)	Potency towards cytochrome P 450 26 enzyme activity
50015949	4	ChEMBL_305432 (CHEMBL830925)	Selectivity towards cytochrome P450 3A4 enzyme activity
50015949	1	ChEMBL_312056 (CHEMBL834450)	Selectivity towards cytochrome P450 2D6 enzyme activity
50015949	3	ChEMBL_312054 (CHEMBL834448)	Selectivity towards cytochrome P450 1A2 enzyme activity
50015949	2	ChEMBL_312055 (CHEMBL834449)	Selectivity towards cytochrome P450 2C9 enzyme activity
50015950	3	ChEMBL_305467 (CHEMBL831077)	Inhibition of estrogen receptor alpha
50015950	2	ChEMBL_305431 (CHEMBL830924)	Inhibition of estrogen receptor beta
50015951	2	ChEMBL_303148 (CHEMBL829122)	Binding affinity owards recombinant human transmembrane carbonic anhydrase IX
50015951	1	ChEMBL_303009 (CHEMBL830248)	Binding affinity towards human membrane associated carbonic anhydrase IV
50015951	4	ChEMBL_303126 (CHEMBL828084)	Binding affinity towards recombinant human mitochondrial carbonic anhydrase V
50015951	3	ChEMBL_302849 (CHEMBL828765)	Binding affinity towards human cytosolic carbonic anhydrase II
50045486	2	ChEMBL_1464920 (CHEMBL3404390)	Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay
50015952	2	ChEBML_305074	Inhibitory concentration against cathepsin S
50046809	14	ChEMBL_1527392 (CHEMBL3636767)	Displacement of [3H]-PK11195 from recombinant human PBR after 1.5 hrs by Microbeta scintillation counting analysis
50046809	15	ChEMBL_1527393 (CHEMBL3636768)	Displacement of [3H]-Mesulergine from recombinant human 5-HT2C receptor after 1.5 hrs by Microbeta scintillation counting analysis
50015954	1	ChEMBL_305278 (CHEMBL832827)	Concentration for 50% inhibition towards central histamine H1 receptor 
50015955	3	ChEMBL_303555 (CHEMBL828955)	Binding affinity D3 [3H]-PD 128907 receptor was determined using caudate-putamen of adult male Spragueo=Dawley rats
50045486	3	ChEMBL_1464924 (CHEMBL3404394)	Inhibition of human CYP2C9
50045486	4	ChEMBL_1464925 (CHEMBL3404395)	Inhibition of human CYP2D6
50045486	5	ChEMBL_1464926 (CHEMBL3404396)	Inhibition of human CYP3A4
50045486	6	ChEMBL_1464927 (CHEMBL3404397)	Inhibition of human CYP1A2
50045486	7	ChEMBL_1464928 (CHEMBL3404398)	Negative allosteric modulation at mGluR3 (unknown origin)
50045486	8	ChEMBL_1464930 (CHEMBL3404400)	Positive allosteric modulation at mGluR1 (unknown origin)
50045486	9	ChEMBL_1464931 (CHEMBL3404401)	Positive allosteric modulation at mGluR2 (unknown origin)
50045486	10	ChEMBL_1464932 (CHEMBL3404402)	Positive allosteric modulation at mGluR4 (unknown origin)
50045486	11	ChEMBL_1464933 (CHEMBL3404403)	Positive allosteric modulation at mGluR6 (unknown origin)
50045486	12	ChEMBL_1464934 (CHEMBL3404404)	Positive allosteric modulation at mGluR7 (unknown origin)
50045486	13	ChEMBL_1464935 (CHEMBL3404405)	Positive allosteric modulation at mGluR8 (unknown origin)
50015957	1	ChEMBL_306273 (CHEMBL827550)	Inhibition of Geranylgeranyl transferase type I
50015957	2	ChEMBL_305933 (CHEMBL833480)	Inhibition of Farnesyltransferase
50015959	3	ChEMBL_308679 (CHEMBL833655)	Inhibitory activity for binding of PGD-2 in hTP binding assay using HEK293 cell membranes
50045487	1	ChEMBL_1464963 (CHEMBL3404668)	Inhibition of recombinant human AChE
50015959	2	ChEMBL_316036 (CHEMBL877043)	Inhibitory activity for binding of PGD-2 to hTP in hTP binding assay using HEK293 cell membranes
50045488	1	ChEMBL_1465025 (CHEMBL3405041)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50015961	1	ChEMBL_312528 (CHEMBL832571)	In vitro inhibition against maximum response evoked by cAMP in rat GFSHR-17 granulosa cell line
50015962	2	ChEMBL_303035 (CHEMBL828863)	Inhibition of [3H]spiperone binding to rat dopamine D2 receptor
50015962	6	ChEMBL_303245 (CHEMBL827210)	Inhibition of [3H]7-OH-DPAT binding to Dopamine D3 receptor expressed in Sf9 cells
50015962	5	ChEMBL_303034 (CHEMBL828862)	Inhibition of [3H]-SCH- 23390 binding to rat dopamine D1 receptor
50015962	4	ChEMBL_302976 (CHEMBL827955)	Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2A receptor
50015962	3	ChEMBL_302851 (CHEMBL828767)	Inhibition of [3H]mesulergine binding to rat 5-hydroxytryptamine 2C receptor
50015962	1	ChEMBL_303267 (CHEMBL828261)	Inhibition of [3H]ketanserin binding to recombinant human 5-hydroxytryptamine 2A receptor
50015963	1	ChEMBL_303056 (CHEMBL828882)	Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter
50015963	3	ChEMBL_303163 (CHEMBL829975)	Inhibition of [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor
50015963	9	ChEMBL_303083 (CHEMBL828756)	Inhibition of [3H]rauwolscine binding to Alpha-2A adrenergic receptor
50015963	12	ChEMBL_303244 (CHEMBL827209)	Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D3
50015963	6	ChEMBL_303084 (CHEMBL828757)	Inhibition of [3H]rauwolscine binding to Alpha-2C adrenergic receptor
50015963	2	ChEMBL_303146 (CHEMBL829120)	Inhibition of [3H]-spiperone binding to human Dopamine receptor D2
50015963	8	ChEMBL_303185 (CHEMBL829679)	Inhibition of [3H]pyrilamine binding to human Histamine H1 receptor 
50015963	5	ChEMBL_303123 (CHEMBL829632)	Inhibition of [3H]SCH-23390 binding to human Dopamine receptor D1
50015963	4	ChEMBL_303243 (CHEMBL827208)	Inhibition of [3H]5-HT binding to human 5-hydroxytryptamine 7 receptor
50015963	11	ChEMBL_303104 (CHEMBL829614)	Inhibition of [125I]R91150 binding to human 5-hydroxytryptamine 2A receptor
50015963	10	ChEMBL_302949 (CHEMBL841784)	Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D1
50045488	2	ChEMBL_1465026 (CHEMBL3405042)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells
50045488	3	ChEMBL_1465024 (CHEMBL3405040)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50015965	6	ChEMBL_305386 (CHEMBL832900)	Inhibition of c-fms tyrosine kinase
50015965	3	ChEMBL_305913 (CHEMBL832628)	Inhibition of tyrosine protein kinase receptor TIE-2
50015965	4	ChEMBL_306228 (CHEMBL831136)	In vitro inhibition of Vascular endothelial growth factor receptor 2 at 10 uM ATP
50045489	1	ChEMBL_1465032 (CHEMBL3405048)	Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in presence of 10 mM EGTA
50015965	7	ChEMBL_306384 (CHEMBL828725)	Inhibition of mouse Fibroblast growth factor receptor 1 expressed in NIH 3T3 fibroblasts
50015965	10	ChEMBL_305858 (CHEMBL832718)	Inhibition of human epidermal growth factor receptor
50045490	1	ChEMBL_1465054 (CHEMBL3405070)	Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by HTRF method relative to control
50015965	13	ChEMBL_305858 (CHEMBL832718)	Inhibition of human epidermal growth factor receptor
50045490	2	ChEMBL_1465055 (CHEMBL3405211)	Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as [35S]GTPgammaS binding after 60 mins by trilux scintillation counting analysis relative to control
50045491	1	ChEMBL_1465179 (CHEMBL3405880)	Inhibition of recombinant PI3Kgamma (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kinase activity assay
50045491	2	ChEMBL_1465178 (CHEMBL3405879)	Inhibition of recombinant PI3Kbeta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kinase activity assay
50045491	3	ChEMBL_1465177 (CHEMBL3405878)	Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kinase activity assay
50045491	4	ChEMBL_1465180 (CHEMBL3405881)	Inhibition of recombinant PI3Kdelta (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kinase activity assay
50045492	1	ChEMBL_1465188 (CHEMBL3406072)	Inhibition of BTK (unknown origin) after 1 hr by FRET assay
50045492	2	ChEMBL_1465191 (CHEMBL3406075)	Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after 24 hrs by flow cytometry
50045492	3	ChEMBL_1465195 (CHEMBL3406079)	Inhibition of BTK in human whole blood B-cells assessed as inhibition of both anti-IgD-stimulated CD69 expression
50045492	4	ChEMBL_1465194 (CHEMBL3406078)	Inhibition of BTK in human whole blood basophils assessed as inhibition of both anti-IgE-stimulated CD63 expression
50015967	6	ChEMBL_305792 (CHEMBL827980)	Inhibition of human Protein kinase C gamma using [gamma-33P]-ATP
50015967	15	ChEMBL_305464 (CHEMBL830960)	Inhibition of rabbit Glycogen synthase kinase-3 beta
50015967	21	ChEMBL_305394 (CHEMBL833044)	Inhibition of Protein kinase C zeta
50045492	5	ChEMBL_1465190 (CHEMBL3406074)	Inhibition of BTK (unknown origin)
50045492	6	ChEMBL_1465189 (CHEMBL3406073)	Inhibition of BTK (unknown origin) by Lanthascreen method
50015967	11	ChEMBL_305656 (CHEMBL829514)	Inhibition of Epidermal growth factor receptor in P19 cells
50015967	10	ChEMBL_304829 (CHEMBL827917)	Inhibition of Potassium channel HERG
50015967	20	ChEMBL_305430 (CHEMBL830923)	Inhibition of Protein kinase C delta
50015967	18	ChEMBL_312615 (CHEMBL834104)	Inhibition of IL-8 release by HEK293 cells expressing PKC-beta2
50015967	12	ChEMBL_306271 (CHEMBL827548)	Inhibition of Mitogen-activated protein kinase/extracellular signal-regulated kinase 2 in P19 cells
50015967	3	ChEMBL_305914 (CHEMBL832629)	Inhibition of Cyclin-dependent kinase 1 in P19 cells
50045493	1	ChEMBL_1465353 (CHEMBL3406909)	Antagonist activity at human adenosine A2A receptor
50045493	2	ChEMBL_1465361 (CHEMBL3406917)	Inhibition of CYP2D6 (unknown origin)
50045493	3	ChEMBL_1465360 (CHEMBL3406916)	Inhibition of CYP2C19 (unknown origin)
50045493	4	ChEMBL_1465359 (CHEMBL3406915)	Inhibition of CYP3A4 (unknown origin)
50045493	5	ChEMBL_1465358 (CHEMBL3406914)	Inhibition of CYP2C9 (unknown origin)
50045493	6	ChEMBL_1465357 (CHEMBL3406913)	Inhibition of CYP1A2 (unknown origin)
50045493	7	ChEMBL_1465354 (CHEMBL3406910)	Antagonist activity at human adenosine A1 receptor
50045494	1	ChEMBL_1465370 (CHEMBL3406926)	Binding affinity to rat CB1 receptor
50045494	2	ChEMBL_1465369 (CHEMBL3406925)	Displacement of [3H]HU-243 from CB2 receptor (unknown origin) transfected in human COS7 cells
50045494	3	ChEMBL_1465368 (CHEMBL3406924)	Partial agonist activity at mouse CB1 receptor by vas deferens assay
50045495	1	ChEMBL_1465386 (CHEMBL3406942)	Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis
50045495	2	ChEMBL_1465387 (CHEMBL3406943)	Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis
50015968	4	ChEMBL_303186 (CHEMBL829680)	Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells
50015968	3	ChEMBL_303207 (CHEMBL829833)	Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells
50015968	2	ChEMBL_303105 (CHEMBL829615)	Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cells
50015968	1	ChEMBL_303147 (CHEMBL829121)	Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cells
50045495	3	ChEMBL_1465388 (CHEMBL3406944)	Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis
50015969	1	ChEMBL_303258 (CHEMBL826384)	Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells
50015970	2	ChEMBL_302984 (CHEMBL828833)	In vitro binding affinity against rat Alpha-2 adrenergic receptor using [3H]clonidine
50015970	1	ChEMBL_303574 (CHEMBL828974)	In vitro binding affinity against recombinant human Phenylethanolamine N-methyl-transferase expressed in Escherichia coli using [methyl-3H]-AdoMet
50045495	4	ChEMBL_1465389 (CHEMBL3406945)	Binding affinity to human histamine H3 receptor expressed in HEK293 cells
50045496	1	ChEMBL_1465527 (CHEMBL3404440)	Inhibition of human recombinant AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay
50045496	2	ChEMBL_1465525 (CHEMBL3404438)	Inhibition of BuChE in horse serum pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's assay
50045496	3	ChEMBL_1465524 (CHEMBL3404437)	Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's assay
50045497	1	ChEMBL_1465541 (CHEMBL3404694)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins before substrate addition by LC-MS/MS analysis
50045497	2	ChEMBL_1465542 (CHEMBL3404695)	Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate compound preincubated for 30 mins with NADPH before substrate addition by LC-MS/MS analysis
50045498	1	ChEMBL_1465563 (CHEMBL3404716)	Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis
50045499	1	ChEMBL_1465704 (CHEMBL3405465)	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method
50045499	2	ChEMBL_1465703 (CHEMBL3405464)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method
50015974	3	ChEMBL_303638 (CHEMBL828848)	Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli
50015974	4	ChEMBL_305543 (CHEMBL828563)	Inhibitory concentration against Fatty-acid amide hydrolase
50015974	1	ChEMBL_305509 (CHEMBL831110)	Inhibitory concentration against Triacylglycerol hydrolase
50015974	2	ChEMBL_303610 (CHEMBL829699)	Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from human expressed in COS-7 cells
50045499	3	ChEMBL_1465705 (CHEMBL3405466)	Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman spectrophotometric method
50045500	1	ChEMBL_1465740 (CHEMBL3405675)	Inhibition of human recombinant LSD1 after 30 mins to 4 hrs by fluorescence assay
50045500	2	ChEMBL_1465741 (CHEMBL3405676)	Competitive inhibition of human recombinant LSD1 by Lineweaver-Burk plot analysis
50045500	3	ChEMBL_1465742 (CHEMBL3405677)	Inhibition of MAO-A (unknown origin) by MAo-Glo kit analysis
50045500	4	ChEMBL_1465744 (CHEMBL3405679)	Inhibition of MAO-B (unknown origin) by MAo-Glo kit analysis
50045500	5	ChEMBL_1465757 (CHEMBL3405692)	Irreversible inhibition of LSD1 (unknown origin)
50045501	1	ChEMBL_1465901 (CHEMBL3406549)	Inhibition of tyrosinase (unknown origin)
50045501	2	ChEMBL_1465898 (CHEMBL3406546)	Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in alpha-MSH-induced melanin content
50045502	1	ChEMBL_1465911 (CHEMBL3406559)	Inhibition of renin (unknown origin)
50045502	2	ChEMBL_1465912 (CHEMBL3406560)	Inhibition of BACE1 (unknown origin)
50045502	3	ChEMBL_1465913 (CHEMBL3406561)	Inhibition of CathD (unknown origin)
50045502	4	ChEMBL_1465918 (CHEMBL3406746)	Inhibition of BACE2 (unknown origin)
50045502	5	ChEMBL_1465919 (CHEMBL3406747)	Inhibition of CathE (unknown origin)
50045502	6	ChEMBL_1465923 (CHEMBL3406751)	Inhibition of human ERG by voltage clamp method
50045503	1	ChEMBL_1465940 (CHEMBL3406768)	Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay
50045504	1	ChEMBL_1466063 (CHEMBL3404251)	Inhibition of FGFR4 (unknown origin) after 90 mins by TR-FRET assay
50045504	2	ChEMBL_1466062 (CHEMBL3404250)	Inhibition of FGFR3 (unknown origin) after 90 mins by TR-FRET assay
50015976	1	ChEMBL_305572 (CHEMBL874429)	Inhibition of recombinant human Chk2 kinase
50045504	3	ChEMBL_1466061 (CHEMBL3404249)	Inhibition of FGFR2 (unknown origin) after 90 mins by TR-FRET assay
50045504	4	ChEMBL_1466060 (CHEMBL3404248)	Inhibition of FGFR1 (unknown origin) after 90 mins by TR-FRET assay
50015982	2	ChEMBL_300364 (CHEMBL840342)	Binding affinity against HIV-1 protease
50015982	1	ChEMBL_302211 (CHEMBL826984)	Binding affinity against HIV-1 protease
50045504	5	ChEMBL_1466059 (CHEMBL3404247)	Inhibition of FGFR4 (unknown origin)
50045504	6	ChEMBL_1466058 (CHEMBL3404246)	Inhibition of FGFR3 (unknown origin)
50045504	7	ChEMBL_1466057 (CHEMBL3404245)	Inhibition of FGFR2 (unknown origin)
50045504	8	ChEMBL_1466056 (CHEMBL3404244)	Inhibition of FGFR1 (unknown origin)
50045505	1	ChEMBL_1466111 (CHEMBL3404494)	Inhibition of PDE4 (unknown origin)
50045505	2	ChEMBL_1466073 (CHEMBL3404456)	Inhibition of c-Met kinase in human A549 cells assessed as inhibition of phosphorylation after 45 mins by electrochemiluminescence assay
50045505	3	ChEMBL_1466072 (CHEMBL3404455)	Inhibition of GST-His6-tagged recombinant human c-Met kinase domain (956 to 1390) after 60 mins by anoff-chip mobility shift assay
50045506	1	ChEMBL_1463948 (CHEMBL3405600)	Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
50045506	2	ChEMBL_1463949 (CHEMBL3405601)	Antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by fluorescence assay
50045506	3	ChEMBL_1463947 (CHEMBL3405599)	Antagonist activity at S1P2 receptor (unknown origin)
50045506	4	ChEMBL_1463950 (CHEMBL3405602)	Antagonist activity at human S1P3 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by fluorescence assay
50045506	5	ChEMBL_1463951 (CHEMBL3405603)	Antagonist activity at human LPA2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by fluorescence assay
50045506	6	ChEMBL_1463952 (CHEMBL3405604)	Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
50045506	7	ChEMBL_1464178 (CHEMBL3407044)	Displacement of [33P]-S1P from human S1P1 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
50045506	8	ChEMBL_1464179 (CHEMBL3407045)	Displacement of [33P]-S1P from human S1P3 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
50045506	9	ChEMBL_1464180 (CHEMBL3407046)	Displacement of [33P]-S1P from human S1P4 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
50045506	10	ChEMBL_1464181 (CHEMBL3407047)	Displacement of [33P]-S1P from human S1P5 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
50045507	1	ChEMBL_1464215 (CHEMBL3407223)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in tail current at membrane potential of +20 mV
50045508	1	ChEMBL_1464451 (CHEMBL3405393)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting
50045509	1	ChEMBL_1464520 (CHEMBL3405834)	Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 90 mins by HPLC analysis
50045509	2	ChEMBL_1464519 (CHEMBL3405833)	Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 60 mins by HPLC analysis
50045509	3	ChEMBL_1464518 (CHEMBL3405832)	Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 30 mins by HPLC analysis
50045509	4	ChEMBL_1464517 (CHEMBL3405831)	Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 10 mins by HPLC analysis
50045509	5	ChEMBL_1464454 (CHEMBL3405396)	Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid by HPLC analysis
50045509	6	ChEMBL_1464456 (CHEMBL3405398)	Inhibition of human FAAH using [ethanolamine 1-3H] substrate assessed as radioactivity by liquid scintillation counting analysis
50045509	7	ChEMBL_1464458 (CHEMBL3405400)	Inhibition of human ABHD6 containing pCMV6-AC-hABHD6 transfected into HEK293 cells
50045509	8	ChEMBL_1464459 (CHEMBL3405401)	Inhibition of human ABHD12 containing pCMV6-XL4-hABHD12 transfected into HEK293 cells
50045510	1	ChEMBL_1464553 (CHEMBL3406054)	Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50045510	2	ChEMBL_1464552 (CHEMBL3406053)	Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50015989	17	ChEMBL_302772 (CHEMBL838835)	Binding affinity for alpha-2A adrenergic receptor
50045510	3	ChEMBL_1464612 (CHEMBL3406463)	Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
50015989	7	ChEMBL_303448 (CHEMBL839708)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor
50015989	10	ChEMBL_303466 (CHEMBL838762)	Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor
50045510	4	ChEMBL_1464613 (CHEMBL3406464)	Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
50015989	2	ChEMBL_303308 (CHEMBL840034)	Inhibition of [3H]spiperone binding to Dopamine receptor D2
50015989	1	ChEMBL_303229 (CHEMBL827194)	Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporter
50015989	13	ChEMBL_303386 (CHEMBL839703)	Inhibition of [3H]WIN-35428 binding to Dopamine transporter of rat striatum
50015989	9	ChEMBL_303503 (CHEMBL839975)	Inhibition of [3H]- mesulergine binding to 5-hydroxytryptamine 2C receptor
50015989	15	ChEMBL_303340 (CHEMBL840156)	Inhibition of [3H]pyrilamine binding to Histamine H1 receptor
50045511	1	ChEMBL_1464654 (CHEMBL3406675)	Inhibition of CYP2C9 (unknown origin)
50045511	2	ChEMBL_1464653 (CHEMBL3406674)	Inhibition of CYP2D6 (unknown origin)
50045511	3	ChEMBL_1464651 (CHEMBL3406672)	Inhibition of human ERG by dofetilide binding assay
50045511	4	ChEMBL_1464650 (CHEMBL3406671)	Inhibition of pepsin C (unknown origin)
50045511	5	ChEMBL_1464649 (CHEMBL3406670)	Inhibition of pepsin A (unknown origin)
50045511	6	ChEMBL_1464648 (CHEMBL3406669)	Inhibition of cathepsin E (unknown origin)
50045511	7	ChEMBL_1464647 (CHEMBL3406668)	Inhibition of cathepsin D (unknown origin)
50045511	8	ChEMBL_1464646 (CHEMBL3406667)	Inhibition of BACE2 (unknown origin)
50045511	9	ChEMBL_1464645 (CHEMBL3406666)	Inhibition of BACE1 (unknown origin)
50045511	10	ChEMBL_1464644 (CHEMBL3406665)	Inhibition of alpha-adrenoceptor 1A (unknown origin)
50045511	11	ChEMBL_1464642 (CHEMBL3406663)	Inhibition of mu opioid receptor (unknown origin)
50045511	12	ChEMBL_1464641 (CHEMBL3406662)	Inhibition of alpha-adrenoceptor 2B (unknown origin)
50045511	13	ChEMBL_1464640 (CHEMBL3406661)	Inhibition of alpha-adrenoceptor 2A (unknown origin)
50045511	14	ChEMBL_1464639 (CHEMBL3406660)	Inhibition of human recombinant renin in presence of plasma by TR-FRET assay
50015989	3	ChEMBL_303514 (CHEMBL839628)	Inhibition of [3H]-nisoxetine binding to Norepinephrine transporter from rat cortex
50045511	15	ChEMBL_1464637 (CHEMBL3406658)	Inhibition of CYP3A4 (unknown origin) using 7-benzyl-4-trifluoromethylcoumarin as fluorometric substrate
50015989	12	ChEMBL_303464 (CHEMBL838760)	Inhibition of [125I]- R91150 binding to 5-hydroxytryptamine 2A receptor
50045511	16	ChEMBL_1464636 (CHEMBL3406487)	Inhibition of human recombinant renin by TR-FRET assay
50015989	14	ChEMBL_303363 (CHEMBL839681)	Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 7 receptor
50015989	4	ChEMBL_303309 (CHEMBL840035)	Inhibition of [3H]spiperone binding to Dopamine receptor D4
50045512	1	ChEMBL_1464664 (CHEMBL3406685)	Inhibition of canine lung PDE5 using [3H]cGMP incubated for 30 mins by scintillation analysis
50045513	1	ChEMBL_1464732 (CHEMBL3407083)	Agonist activity at GPR88 (unknown origin) transfected into cells assessed as cAMP accumulation by HTRF assay
50045514	1	ChEMBL_1464736 (CHEMBL3407087)	Inhibition of Abl (unknown origin) using GGEAIYAAPFKK peptide as substrate by [gamma-33P]ATP assay
50045514	2	ChEMBL_1464737 (CHEMBL3407088)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration assay
50045514	3	ChEMBL_1464738 (CHEMBL3407089)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration assay
50045514	4	ChEMBL_1464739 (CHEMBL3407090)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration assay
50045514	5	ChEMBL_1464740 (CHEMBL3407091)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration assay
50016000	2	ChEMBL_306427 (CHEMBL828098)	Inhibition of C-X-C chemokine receptor type 2
50016000	18	ChEMBL_306872 (CHEMBL828678)	Inhibition of eotaxin-induced chemotaxis of human eosinophils
50045515	1	ChEMBL_1464741 (CHEMBL3407092)	Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in human PC3 cells after 45 mins by gamma counting analysis
50045516	1	ChEMBL_1464893 (CHEMBL3404182)	Displacement of [3H]-8-OH-DPAT from human 5-HT7 receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis
50016000	19	ChEMBL_306838 (CHEMBL831029)	Inhibition of eotaxin-induced chemotaxis of rat eosinophils
50016000	16	ChEMBL_306390 (CHEMBL828731)	Inhibition of C-C chemokine receptor type 5
50045516	2	ChEMBL_1464895 (CHEMBL3404184)	Binding affinity to rat hippocampus 5-HT1A receptor
50045516	3	ChEMBL_1464892 (CHEMBL3404181)	Displacement of [3H]-5-HT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis
50016000	11	ChEMBL_306389 (CHEMBL828730)	Inhibition of C-C chemokine receptor type 2
50016000	12	ChEMBL_306388 (CHEMBL828729)	Inhibition of C-C chemokine receptor type 1
50045517	1	ChEMBL_1464995 (CHEMBL3404854)	Inhibition of PI3Kalpha (unknown origin)
50045518	1	ChEMBL_1465019 (CHEMBL3404878)	Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
50016000	21	ChEMBL_306426 (CHEMBL828097)	Inhibition of C-X-C chemokine receptor type 1
50045519	1	ChEMBL_1465095 (CHEMBL3405427)	Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATPase assay
50045520	1	ChEMBL_1465099 (CHEMBL3405431)	Inhibition of human recombinant CA-1 after 15 mins by stopped-flow CO2 hydrase assay
50045520	2	ChEMBL_1465100 (CHEMBL3405432)	Inhibition of human recombinant CA-2 after 15 mins by stopped-flow CO2 hydrase assay
50045520	3	ChEMBL_1465101 (CHEMBL3405433)	Inhibition of human recombinant CA-7 after 15 mins by stopped-flow CO2 hydrase assay
50045520	4	ChEMBL_1465102 (CHEMBL3405434)	Inhibition of human recombinant CA-9 after 15 mins by stopped-flow CO2 hydrase assay
50016006	4	ChEMBL_304205 (CHEMBL829745)	Effective concentration against human Peroxisome proliferator activated receptor gamma
50016006	3	ChEMBL_305936 (CHEMBL833483)	Inhibition of human Peroxisome proliferator activated receptor alpha
50016006	1	ChEMBL_304204 (CHEMBL829744)	Effective concentration against human Peroxisome proliferator activated receptor alpha
50016006	2	ChEMBL_305937 (CHEMBL833484)	Inhibition of human Peroxisome proliferator activated receptor gamma
50016009	1	ChEMBL_306088 (CHEMBL833589)	Binding affinity for human Matrix metalloprotease-3
50016009	2	ChEMBL_306089 (CHEMBL830864)	Binding affinity for human Matrix metalloprotease-8
50045520	5	ChEMBL_1465103 (CHEMBL3405435)	Inhibition of human recombinant CA-12 after 15 mins by stopped-flow CO2 hydrase assay
50016014	4	ChEMBL_305127 (CHEMBL832423)	Inhibitory concentration against matrix metalloprotease 13
50016014	1	ChEMBL_305082 (CHEMBL832712)	Inhibitory concentration against matrix metalloprotease 8
50016014	3	ChEMBL_305080 (CHEMBL832711)	Inhibitory concentration against matrix metalloprotease 1
50045521	1	ChEMBL_1465218 (CHEMBL3406102)	Inhibition of AurB (unknown origin)
50045521	2	ChEMBL_1465216 (CHEMBL3406100)	Inhibition of PKC-alpha (unknown origin)
50045521	3	ChEMBL_1465215 (CHEMBL3406099)	Inhibition of EGFR (unknown origin)
50045521	4	ChEMBL_1465213 (CHEMBL3406097)	Inhibition of MEK1 (unknown origin)
50045522	1	ChEMBL_1465243 (CHEMBL3406306)	Displacement of Eu-DTPA-PEGO-CCK4 from human cholecystokinin 2 receptor overexpressed in HEK-293 cells co-expressing human MC4R after 1 hr by time resolved fluorescence-based competition binding assay
50016014	2	ChEMBL_305126 (CHEMBL832422)	Inhibitory concentration against matrix metalloprotease 12
50045523	1	ChEMBL_1465264 (CHEMBL3406327)	Inhibition of human full length Aurora A by HTRF assay
50045523	2	ChEMBL_1465274 (CHEMBL3406493)	Inhibition of CHK1 (unknown origin)
50045523	3	ChEMBL_1465275 (CHEMBL3406494)	Inhibition of CDC7 (unknown origin)
50016014	5	ChEMBL_305081 (CHEMBL876975)	Inhibitory concentration against matrix metalloprotease 2
50045524	1	ChEMBL_1465409 (CHEMBL3407117)	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay
50016016	1	ChEMBL_306022 (CHEMBL833537)	Inhibitory concentration against human cathepsin L using 5 uM Cbz-Phe-Arg-AMC
50016016	4	ChEMBL_306043 (CHEMBL833000)	Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC
50016016	3	ChEMBL_306044 (CHEMBL833001)	Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC
50016016	5	ChEMBL_306042 (CHEMBL832999)	Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC
50045524	2	ChEMBL_1465408 (CHEMBL3407116)	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay
50045525	1	ChEMBL_1465587 (CHEMBL3404889)	Inhibition of recombinant human renin by fluorescence based FRET assay
50016020	1	ChEMBL_304369 (CHEMBL829011)	Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells
50016020	2	ChEMBL_304338 (CHEMBL839764)	Agonist activity towards thyroid hormone receptor expressed in human HepG2 cells
50016021	4	ChEMBL_306332 (CHEMBL828676)	In vitro inhibitory concentration against Opioid receptor mu 1 was measured using guinea pig ileum assay
50016021	1	ChEMBL_306417 (CHEMBL828088)	In vitro inhibitory concentration against Opioid receptor delta 1 was measured using mouse vas deferens assay
50045525	2	ChEMBL_1465601 (CHEMBL3404903)	Inhibition of CYP2C9 (unknown origin)
50045525	3	ChEMBL_1465602 (CHEMBL3404904)	Inhibition of CYP2D6 (unknown origin)
50045525	4	ChEMBL_1465603 (CHEMBL3404905)	Inhibition of CYP2C19 (unknown origin)
50016023	1	ChEMBL_306060 (CHEMBL874553)	Binding affinity between MDM2 and p53 protein in fluorescence peptide assay
50045525	5	ChEMBL_1465604 (CHEMBL3404906)	Inhibition of human mu opioid receptor
50045525	6	ChEMBL_1465595 (CHEMBL3404897)	Inhibition of CYP3A4 (unknown origin) using DBF fluorometric substrate
50045525	7	ChEMBL_1465616 (CHEMBL3404918)	Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma
50016029	2	ChEMBL_306132 (CHEMBL833071)	Inhibitory concentration against tissue transglutaminase
50016029	1	ChEMBL_306222 (CHEMBL831130)	Inhibitory concentration against tissue transglutaminase was determined using full progress curves
50016030	5	ChEMBL_304466 (CHEMBL832682)	In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP
50016030	1	ChEMBL_304203 (CHEMBL829743)	In vitro effective concentration against beta amyloid protein 42 in ELISA
50016030	4	ChEMBL_317565 (CHEMBL825230)	In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells
50016030	2	ChEMBL_304202 (CHEMBL829742)	In vitro effective concentration against beta amyloid protein 40 in ELISA
50016030	3	ChEMBL_317564 (CHEMBL825229)	In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP
50045525	8	ChEMBL_1465591 (CHEMBL3404893)	Inhibition of human cathepsin E
50045525	9	ChEMBL_1465590 (CHEMBL3404892)	Inhibition of human cathepsin D
50045525	10	ChEMBL_1465589 (CHEMBL3404891)	Inhibition of human pepsin C
50045525	11	ChEMBL_1465588 (CHEMBL3404890)	Inhibition of human pepsin A
50045525	12	ChEMBL_1465594 (CHEMBL3404896)	Inhibition of CYP3A4 (unknown origin) using midazolam fluorometric substrate
50045525	13	ChEMBL_1465593 (CHEMBL3404895)	Inhibition of human BACE2
50045525	14	ChEMBL_1465592 (CHEMBL3404894)	Inhibition of human BACE1
50045526	1	ChEMBL_1465619 (CHEMBL3404921)	Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity at 5 uM active compound by Lineweaver-Burk plot analysis
50045526	2	ChEMBL_1465618 (CHEMBL3404920)	Competitive inhibition of mushroom tyrosinase assessed as inhibition of L-DOPA oxidase activity
50045527	1	ChEMBL_1465623 (CHEMBL3405071)	Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	2	ChEMBL_1465624 (CHEMBL3405072)	Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	3	ChEMBL_1465625 (CHEMBL3405073)	Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	4	ChEMBL_1465628 (CHEMBL3405076)	Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	5	ChEMBL_1465635 (CHEMBL3405083)	Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	6	ChEMBL_1465637 (CHEMBL3405085)	Partial agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	7	ChEMBL_1465639 (CHEMBL3405087)	Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay
50045527	8	ChEMBL_1465763 (CHEMBL3405698)	Agonist activity at human MOR expressed in CHO cells assessed as increase in intracellular Ca2+ level after 30 mins by microplate reader analysis
50016033	3	ChEMBL_302181 (CHEMBL830214)	Inhibitory constant against human isozymes carbonic anhydrase V for the CO2 hydration reaction at 20 C
50016033	4	ChEMBL_302184 (CHEMBL829424)	Inhibitory constant against human isozyme carbonic anhydrase I for the CO2 hydration reaction at 20 degree C
50016033	1	ChEMBL_302182 (CHEMBL830215)	Inhibitory constant against human isozymes carbonic anhydrase II for the CO2 hydration reaction at 20 C
50016033	2	ChEMBL_302183 (CHEMBL829423)	Inhibitory constant against human isozymes carbonic anhydrase IX for the CO2 hydration reaction at 20 C
50045527	9	ChEMBL_1465764 (CHEMBL3405699)	Antagonist activity at human MOR expressed in CHO cells assessed as inhibition of DAMGO-induced increase in intracellular Ca2+ level incubated for 15 mins prior to DAMGO addition by microplate reader analysis
50016033	5	ChEMBL_302185 (CHEMBL829425)	Inhibitory constant against human isozymes carbonic anhydrase IV for the CO2 hydration reaction at 20 degree C
50045527	10	ChEMBL_1465765 (CHEMBL3405700)	Agonist activity at human MOR expressed in CHO cells assessed as increase in intracellular Ca2+ level after 30 mins by cytosensor micrometer
50045528	1	ChEMBL_1465792 (CHEMBL3405908)	Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor
50016037	1	ChEMBL_304894 (CHEMBL829373)	Inhibition of checkpoint kinase Wee1
50045528	2	ChEMBL_1465793 (CHEMBL3405909)	Negative allosteric modulation of mGlu5 receptor in primary E17 rat embryo neuron assessed as ca2+ level by fluo-4/AM assay
50016037	2	ChEMBL_306181 (CHEMBL830975)	Inhibition of Epidermal growth factor receptor
50016038	1	ChEMBL_302827 (CHEMBL838617)	Inhibitory constant against human Carbonic anhydrase IX
50016038	3	ChEMBL_302804 (CHEMBL838512)	Inhibitory constant against human Carbonic anhydrase I
50016038	2	ChEMBL_302730 (CHEMBL838678)	Inhibition of human carbonic anhydrase II
50024589	1	ChEMBL_526200 (CHEMBL974769)	Inhibition of His-tagged human src kinase expressed in Sf9 cells by DELFIA assay
50016040	1	ChEMBL_304191 (CHEMBL829186)	Topoisomerase I activity for single-strand breaks in the DNA substrate
50016041	2	ChEMBL_304347 (CHEMBL838836)	Effective concentration against human Peroxisome proliferator activated receptor gamma in Gal4 transactivation assay
50016041	3	ChEMBL_304346 (CHEMBL839772)	Effective concentration against human Peroxisome proliferator activated receptor alpha in Gal4 transactivation assay
50016041	7	ChEMBL_306292 (CHEMBL828434)	Inhibition of human Peroxisome proliferator activated receptor alpha binding
50016041	1	ChEMBL_304216 (CHEMBL829756)	Agonist activity against hamster Peroxisome proliferator activated receptor alpha
50016041	6	ChEMBL_306293 (CHEMBL828585)	Inhibition of human Peroxisome proliferator activated receptor gamma binding
50016041	5	ChEMBL_304209 (CHEMBL829749)	Agonist activity against mouse Peroxisome proliferator activated receptor alpha
50016041	4	ChEMBL_304194 (CHEMBL830023)	Agonist activity against dog Peroxisome proliferator activated receptor alpha
50016042	1	ChEMBL_304794 (CHEMBL877318)	In vitro inhibitory concentration of compound against factor XIIIa
50016042	2	ChEMBL_304809 (CHEMBL827899)	Inhibitory concentration against guinea pig liver transglutaminase
50016043	1	ChEMBL_304712 (CHEMBL827153)	In vitro inhibitory concentration against Cytochrome P450 3A4
50016043	2	ChEMBL_306714 (CHEMBL832299)	Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide
50016044	2	ChEMBL_302592 (CHEMBL839552)	Inhibition constant for human Melanin concentrating hormone receptor 2
50016044	3	ChEMBL_302591 (CHEMBL839551)	Inhibition constant for human Melanin concentrating hormone receptor 1
50016044	1	ChEMBL_302593 (CHEMBL839553)	Inhibition constant for mouse Melanin concentrating hormone receptor 1
50016045	6	ChEMBL_302313 (CHEMBL828902)	Inhibition of coagulation factor II (thrombin) of human
50016045	2	ChEMBL_302454 (CHEMBL827150)	Inhibitory activity against serine protease trypsin
50016045	3	ChEMBL_302717 (CHEMBL839588)	Inhibitory activity against urokinase-type plasminogen activator
50016045	4	ChEMBL_302288 (CHEMBL830305)	Inhibitory activity against plasmin
50016045	7	ChEMBL_302563 (CHEMBL839525)	Inhibitory activity against tissue plasminogen activator
50016049	1	ChEMBL_305534 (CHEMBL828554)	Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension
50016050	4	ChEMBL_303248 (CHEMBL827213)	Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 from rat striatum
50016050	1	ChEMBL_303435 (CHEMBL839604)	Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus
50016050	3	ChEMBL_303249 (CHEMBL827214)	Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatum
50045529	1	ChEMBL_1465965 (CHEMBL3406793)	Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay
50045530	1	ChEMBL_1465984 (CHEMBL3406966)	Antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55940-induced calcium mobilization incubated for 15 mins prior to CP55940 addition by FLIPR assay
50016055	1	ChEMBL_304182 (CHEMBL829178)	Agonist activity for human Urotensin 2 receptor
50016056	3	ChEMBL_304378 (CHEMBL829020)	Effective concentration to stimulate human Dopamine receptor D3 mediated [3H]-thymidine incorporation into growing cells using mitogenesis assay
50016056	1	ChEMBL_303215 (CHEMBL829840)	High inhibition constant against [3H]spiperone binding to human Dopamine receptor D2S expressed in CHO cells
50016056	9	ChEMBL_303214 (CHEMBL829839)	High inhibition constant against [3H]spiperone binding to human Dopamine receptor D2L expressed in CHO cells
50016056	6	ChEMBL_303201 (CHEMBL829827)	Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D2S expressed in CHO cells
50016056	4	ChEMBL_303200 (CHEMBL829826)	Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D2L expressed in CHO cells
50016056	5	ChEMBL_303181 (CHEMBL829675)	Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D3 expressed in CHO cells
50016056	10	ChEMBL_304370 (CHEMBL829012)	Effective concentration to stimulate rat Dopamine receptor D2L mediated [3H]thymidine incorporation into growing cells using mitogenesis assay
50016056	12	ChEMBL_303231 (CHEMBL827196)	High inhibition constant against [3H]spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells
50016056	11	ChEMBL_303073 (CHEMBL828899)	Inhibition constant against [3H]SCH-23390 binding to Dopamine receptor D1 in bovine striatal membranes
50016056	7	ChEMBL_304371 (CHEMBL829013)	Effective concentration to stimulate rat Dopamine receptor D2S mediated [3H]thymidine incorporation into growing cells using mitogenesis assay
50016056	13	ChEMBL_303222 (CHEMBL827188)	Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells
50016056	2	ChEMBL_303192 (CHEMBL829818)	High inhibition constant against [3H]spiperone binding to human Dopamine receptor D3 expressed in CHO cells
50016056	8	ChEMBL_304385 (CHEMBL828176)	Effective concentration to stimulate human Dopamine receptor D4.2 mediated [3H]thymidine incorporation into growing cells using mitogenesis assay
50016057	1	ChEMBL_302943 (CHEMBL841778)	Inhibition of [3H]SR-141,716A binding to human CB1 receptor expressed in CHO cells
50016057	2	ChEMBL_300006 (CHEMBL852055)	Inhibition of [3H]SR-141,716A binding to human CB1 receptor expressed in CHO cells
50045531	1	ChEMBL_1465994 (CHEMBL3406976)	Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader
50045531	2	ChEMBL_1465995 (CHEMBL3406977)	Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader
50045532	1	ChEMBL_1465997 (CHEMBL3406979)	Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method
50045532	2	ChEMBL_1465996 (CHEMBL3406978)	Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method
50016060	2	ChEMBL_303387 (CHEMBL838598)	In vitro displacement of [3H]GBR-12935 from human dopamine transporter expressed in HEK293 cells
50016060	3	ChEMBL_303436 (CHEMBL839605)	In vitro displacement of [3H]paroxetine from human serotonin transporter expressed in HEK293 cells
50016060	1	ChEMBL_303505 (CHEMBL839977)	In vitro displacement of [3H]nisoxetine from human norepinephrine transporter expressed in HEK293 cells
50016066	7	ChEMBL_303760 (CHEMBL828983)	Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2C expressed in Xenopus oocytes
50016066	1	ChEMBL_303759 (CHEMBL828982)	Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2B expressed in Xenopus oocytes
50016066	2	ChEMBL_303758 (CHEMBL829801)	Inhibitory constant against (S)-glutamate and glycine evoked currents mediated by N-methyl-D-aspartate glutamate receptor NR1a/NR2A expressed in Xenopus oocytes
50045532	3	ChEMBL_1465998 (CHEMBL3406980)	Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting method
50045533	6	ChEMBL_1466126 (CHEMBL3404744)	Inhibition of human 11beta-HSD2 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay
50045533	5	ChEMBL_1466123 (CHEMBL3404741)	Inhibition of human 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay
50045533	7	ChEMBL_1466125 (CHEMBL3404743)	Inhibition of mouse 11beta-HSD1 using microsomal fraction and NADPH assessed as conversion of cortisone to cortisol by biochemical enzyme assay
50045534	3	ChEMBL_1466141 (CHEMBL3404759)	Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay
50045534	4	ChEMBL_1466140 (CHEMBL3404758)	Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated for 30 mins before LTD4 addition by Fura2-AM assay
50045535	2	ChEMBL_1466178 (CHEMBL3404953)	Inhibition of 15-PGDH (unknown origin) by fluorescence spectrophotometry
50045536	2	ChEMBL_1466331 (CHEMBL3405734)	Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate release detection based malachite green reagent assay
50045537	2	ChEMBL_1463958 (CHEMBL3405792)	Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopolysaccharide stimulation and measured 24 hrs post lipopolysaccharide stimulation by Griess reagent assay
50016071	1	ChEMBL_305005 (CHEMBL829441)	Inhibitory concentration against Acetylcholinesterase; (range = 2-20 uM)
50045538	21	ChEMBL_1463984 (CHEMBL3405818)	Inhibition of GST-tagged recombinant human PDE7A1
50045538	18	ChEMBL_1463985 (CHEMBL3405819)	Inhibition of GST-tagged recombinant human PDE8A1
50045538	16	ChEMBL_1463977 (CHEMBL3405811)	Inhibition of human PDE5A1 expressed in baculovirus in sf9 cells by PDE Glo phosphodiesterase assay
50045538	22	ChEMBL_1463981 (CHEMBL3405815)	Inhibition of PDE4A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay
50045538	17	ChEMBL_1463988 (CHEMBL3405822)	Inhibition of GST-tagged recombinant human PDE11A4
50045538	14	ChEMBL_1463979 (CHEMBL3405813)	Inhibition of PDE2A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay
50045538	24	ChEMBL_1463980 (CHEMBL3405814)	Inhibition of PDE3A (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay
50045538	13	ChEMBL_1463978 (CHEMBL3405812)	Inhibition of PDE1A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay
50045538	23	ChEMBL_1463982 (CHEMBL3405816)	Inhibition of PDE5A1 (unknown origin)
50045538	20	ChEMBL_1463983 (CHEMBL3405817)	Inhibition of PDE6C (unknown origin)
50045538	19	ChEMBL_1463986 (CHEMBL3405820)	Inhibition of GST-tagged recombinant human PDE9A2
50045538	15	ChEMBL_1463987 (CHEMBL3405821)	Inhibition of PDE10A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay
50016076	7	ChEMBL_304677 (CHEMBL827031)	Inhibitory concentration against Cyclin dependent kinase 4
50016076	5	ChEMBL_304675 (CHEMBL827874)	Inhibitory concentration against Cyclin dependent kinase 1
50016076	4	ChEMBL_304950 (CHEMBL826978)	Inhibitory concentration against Extracellular signal-regulated kinase 1
50045539	1	ChEMBL_1464243 (CHEMBL3404110)	Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells by membrane depolarization assay
50045539	2	ChEMBL_1464246 (CHEMBL3404113)	Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 100 nM [3H]choline by [3H]choline uptake assay
50016078	1	ChEMBL_303713 (CHEMBL829048)	Binding affinity against human 5-Hydroxytryptamine 6 receptor expressed in HEK293 cells using [3H]LSD done for 90 minutes at pH 7.4 at room temperature
50045539	3	ChEMBL_1464247 (CHEMBL3404114)	Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]choline by [3H]choline uptake assay
50045539	4	ChEMBL_1464251 (CHEMBL3404118)	Inhibition of human CYP1A2
50045539	5	ChEMBL_1464252 (CHEMBL3404119)	Inhibition of human CYP2C9
50045539	6	ChEMBL_1464253 (CHEMBL3404120)	Inhibition of human CYP2D6
50045539	7	ChEMBL_1464254 (CHEMBL3404121)	Inhibition of human CYP3A4
50045540	1	ChEMBL_1464283 (CHEMBL3404312)	Inhibition of BchE in human plasma incubated for 30 mins using butyrylthiocholine substrate at 37 degC by DTNB dye based spectrophotometry
50016080	1	ChEMBL_305499 (CHEMBL831101)	Inhibitory activity against human Endothelial nitric oxide synthase (eNOS)
50016080	2	ChEMBL_305446 (CHEMBL877003)	Inhibitory activity against human Inducible nitric oxide synthase (iNOS)
50016080	3	ChEMBL_305408 (CHEMBL833057)	Inhibitory activity against human Neuronal nitric oxide synthase (nNOS)
50016087	2	ChEMBL_306780 (CHEMBL831535)	In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay (n=3)
50016087	1	ChEMBL_312170 (CHEMBL835627)	Inhibitory concentration towards caspase-3 induction in human A2780 ovarian carcinoma cells
50016089	1	ChEMBL_305709 (CHEMBL874436)	In vitro inhibitory concentration against prostaglandin G/H synthase 2 in microsomal enzyme assay
50045541	1	ChEMBL_1464290 (CHEMBL3404319)	Agonist activity at alpha-1A adrenergic receptor (unknown origin) after 5 hrs by CCF4-AM staining-based cellular assay
50045541	2	ChEMBL_1464291 (CHEMBL3404320)	Agonist activity at alpha-1B adrenergic receptor (unknown origin) after 5 hrs by CCF4-AM staining-based cellular assay
50045541	3	ChEMBL_1464292 (CHEMBL3404321)	Antagonist activity at alpha-1A adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM staining-based cellular assay
50045541	4	ChEMBL_1465128 (CHEMBL3405641)	Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM staining-based cellular assay
50045542	1	ChEMBL_1465131 (CHEMBL3405644)	Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting analysis
50045543	1	ChEMBL_1465148 (CHEMBL3405661)	Inhibition of human SIRT5 assessed as reduction in desuccinylase activity using KQTAR(SuK)STGGKA substrate
50045543	2	ChEMBL_1465147 (CHEMBL3405660)	Inhibition of human recombinant SIRT5 isoform 1 (34 to 302 amino acids) expressed in Escherichia coli BL21 (DE3) codon plus RIL cells assessed as reduction in deacetylase activity using acetylated chicken histone substrate and [3H]-NAD+
50045543	3	ChEMBL_1465151 (CHEMBL3405664)	Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by FRET-based assay
50045543	4	ChEMBL_1465152 (CHEMBL3405665)	Inhibition of SIRT5 (unknown origin) using (DABCYL)ISGASE(SuK)DIVHSE(EDANS)G peptide substrate incubated for 1 hrs followed by 1 hr incubation with trypsin and nicotinamide by HPLC-based assay
50045544	1	ChEMBL_1465154 (CHEMBL3405855)	Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide probe addition and measured after 18 hrs post probe addition by TR-FRET binding assay
50045545	1	ChEMBL_1465156 (CHEMBL3405857)	Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence polarization technique
50045545	2	ChEMBL_1465155 (CHEMBL3405856)	Inhibition of Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence polarization technique
50045545	3	ChEMBL_1465279 (CHEMBL3406498)	Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence polarization technique
50045546	1	ChEMBL_1465326 (CHEMBL3406722)	Inhibition of ovine COX1 using fluorometric substrate after 15 mins
50045546	2	ChEMBL_1465327 (CHEMBL3406723)	Inhibition of human recombinant COX2 using fluorometric substrate after 15 mins
50045547	1	ChEMBL_1465329 (CHEMBL3406725)	Competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot
50045547	2	ChEMBL_1465330 (CHEMBL3406726)	Non-competitive inhibition of PTP1B (unknown origin) assessed as hydrolysis of para-nitrophenylphosphate by Lineweaver-Burk plot
50045547	3	ChEMBL_1465328 (CHEMBL3406724)	Inhibition of PTP1B (unknown origin)
50045548	1	ChEMBL_1465489 (CHEMBL3404210)	Inhibition of recombinant TDP1 (unknown origin) assessed as increase in fluorescence
50045549	27	ChEMBL_1465695 (CHEMBL3405456)	Inhibition of PKAa (unknown origin)
50016094	1	ChEMBL_310547 (CHEMBL833631)	Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR
50016095	3	ChEMBL_302412 (CHEMBL875203)	Affinity for rat Muscarinic acetylcholine receptor M2
50016095	2	ChEMBL_302413 (CHEMBL828817)	Affinity for rat Muscarinic acetylcholine receptor M3
50016095	1	ChEMBL_302296 (CHEMBL827057)	Ki value for rat Muscarinic acetylcholine receptor M3
50045549	19	ChEMBL_1465689 (CHEMBL3405276)	Inhibition of GSK3 (unknown origin)
50016097	1	ChEMBL_304127 (CHEMBL840244)	Potency in Glucokinase activation assay
50045549	24	ChEMBL_1465698 (CHEMBL3405459)	Inhibition of CDK2 (unknown origin)
50045549	21	ChEMBL_1465820 (CHEMBL3406125)	Inhibition of PI3Kdelta (unknown origin)
50016101	1	ChEMBL_303597 (CHEMBL829686)	Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes
50016103	3	ChEMBL_305950 (CHEMBL832790)	Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed on CHO cell membranes
50016106	5	ChEMBL_304255 (CHEMBL829726)	GR-mediated transrepression of IL-6 in peritoneal exudate cells harvested from C57BI/6 mice
50016106	4	ChEMBL_306249 (CHEMBL831159)	Inhibition of human glucocorticoid receptor alpha by displacement of [3H]dexamethasone
50016106	1	ChEMBL_304163 (CHEMBL830001)	GR-mediated transrepression of IL-6 in human A549 lung carcinoma cells
50016106	2	ChEMBL_304193 (CHEMBL829188)	Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells
50016106	3	ChEMBL_304224 (CHEMBL828940)	Inhibition of GR-mediated tyrosine amino transferase activity in human HepG2 cells
50045549	32	ChEMBL_1465690 (CHEMBL3405277)	Inhibition of FLT3 (unknown origin)
50045549	16	ChEMBL_1465822 (CHEMBL3406127)	Inhibition of PI3Kbeta (unknown origin)
50045549	20	ChEMBL_1465700 (CHEMBL3405461)	Inhibition of MET (unknown origin)
50045549	17	ChEMBL_1465701 (CHEMBL3405462)	Inhibition of PI3Kalpha (unknown origin)
50045549	18	ChEMBL_1465821 (CHEMBL3406126)	Inhibition of PI3Kgamma (unknown origin)
50045549	30	ChEMBL_1465692 (CHEMBL3405453)	Inhibition of ROCK (unknown origin)
50045549	22	ChEMBL_1465688 (CHEMBL3405275)	Inhibition of JAK2 (unknown origin)
50045549	31	ChEMBL_1465691 (CHEMBL3405452)	Inhibition of JNK3 (unknown origin)
50045549	28	ChEMBL_1465694 (CHEMBL3405455)	Inhibition of SRC (unknown origin)
50045549	25	ChEMBL_1465697 (CHEMBL3405458)	Inhibition of SYK (unknown origin)
50045549	26	ChEMBL_1465696 (CHEMBL3405457)	Inhibition of IRAK4 (unknown origin)
50045549	29	ChEMBL_1465693 (CHEMBL3405454)	Inhibition of KDR (unknown origin)
50016124	1	ChEMBL_305204 (CHEMBL832458)	Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells
50016125	2	ChEMBL_304333 (CHEMBL839760)	Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha
50016125	1	ChEMBL_304219 (CHEMBL828935)	Effective concentration of compound against heat shock protein HSP90 determined in normal lung cells
50016125	5	ChEMBL_305419 (CHEMBL830912)	Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells
50016125	4	ChEMBL_304223 (CHEMBL828939)	Effective concentration of compound against heat shock protein HSP90 determined in normal heart cells
50016125	3	ChEMBL_304222 (CHEMBL828938)	Effective concentration of compound against heat shock protein HSP90 determined in normal brain cells
50016128	3	ChEMBL_303743 (CHEMBL829786)	Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha-2-beta-2-gamma-2 expressed in HEK293 cells
50016128	4	ChEMBL_303742 (CHEMBL829785)	Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expressed in HEK293 cells
50016128	2	ChEMBL_303744 (CHEMBL829787)	Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2 expressed in HEK293 cells
50045549	23	ChEMBL_1465699 (CHEMBL3405460)	Inhibition of PLK (unknown origin)
50016130	2	ChEMBL_305818 (CHEMBL829471)	Inhibitory concentration against neuraminidase of influenza A/Mem/Bel/71 (H3N1) virus starin; (n=5)
50016130	1	ChEMBL_306123 (CHEMBL830073)	Inhibitory concentration against neuraminidase of influenza A/Chicken/Vietnam/8/2004(H5N1) virus starin; (n=5)
50016130	3	ChEMBL_305719 (CHEMBL829392)	Inhibitory concentration against neuraminidase of influenza A/PR/8/34 (H1N1) virus starin; (n=5)
50045550	1	ChEMBL_1465838 (CHEMBL3406143)	Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reagent and peroxidase by fluorimetry
50045550	2	ChEMBL_1465839 (CHEMBL3406144)	Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin detection based chemiluminescence assay
50016133	1	ChEMBL_305449 (CHEMBL830124)	Inhibitory activity against sarco- endoplasmic reticulum calcium-ATPase
50045550	3	ChEMBL_1465840 (CHEMBL3406145)	Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin detection based chemiluminescence assay
50045551	1	ChEMBL_1466190 (CHEMBL3405114)	Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter gene assay
50045551	2	ChEMBL_1466191 (CHEMBL3405115)	Agonist activity at RARalpha (unknown origin) expressed in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter gene assay in presence of bexarotene
50045552	1	ChEMBL_1466205 (CHEMBL3405129)	Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg) substrate by FRET method
50045553	1	ChEMBL_1466221 (CHEMBL3405279)	Inhibition of DPP4 (unknown origin) pre-incubated for 1 hr before Gly-Pro-pNA substrate addition and measured 2 hrs post substrate addition
50045554	1	ChEMBL_1466222 (CHEMBL3405280)	Binding affinity to RORC-SRC2 fusion construct (unknown origin) by TAMRA-labeled active site probe based fluorescence polarization competition binding assay
50045554	2	ChEMBL_1466223 (CHEMBL3405281)	Inverse agonist activity at RORC ligand binding domain (unknown origin) expressed in HEK293 cells transfected with GAL4 promoter by luciferase reporter gene assay
50045554	3	ChEMBL_1466225 (CHEMBL3405283)	Inverse agonist activity at RORC in human PBMC
50045555	1	ChEMBL_1466423 (CHEMBL3406368)	Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay
50045556	1	ChEMBL_1466434 (CHEMBL3406379)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50045556	2	ChEMBL_1466432 (CHEMBL3406377)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50045556	3	ChEMBL_1466433 (CHEMBL3406378)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50016139	6	ChEMBL_302448 (CHEMBL827144)	Binding affinity for rat Dopamine receptor D3
50016139	1	ChEMBL_302651 (CHEMBL876691)	Binding affinity for human Alpha-1A adrenergic receptor
50016139	5	ChEMBL_302708 (CHEMBL839580)	Binding affinity for human 5-hydroxytryptamine 1A receptor
50016139	2	ChEMBL_302652 (CHEMBL839941)	Binding affinity for human Alpha-1B adrenergic receptor
50016139	4	ChEMBL_302653 (CHEMBL839942)	Binding affinity for human Alpha-1D adrenergic receptor
50016139	3	ChEMBL_302474 (CHEMBL826339)	Binding affinity for human Dopamine receptor D2
50016141	4	ChEMBL_304810 (CHEMBL827900)	Inhibitory concentration against human cathepsin K
50016141	1	ChEMBL_306561 (CHEMBL829136)	Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC
50016141	6	ChEMBL_306629 (CHEMBL829931)	Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC
50016141	2	ChEMBL_306407 (CHEMBL828748)	Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC
50045556	4	ChEMBL_1466431 (CHEMBL3406376)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50016141	5	ChEMBL_306562 (CHEMBL829137)	Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC 
50045557	1	ChEMBL_1463729 (CHEMBL3404543)	Inhibition of human ERG by MK499 binding assay
50045557	2	ChEMBL_1463730 (CHEMBL3404544)	Inhibition of human ERG expressed in CHO cells by Patch express assay
50045558	1	ChEMBL_1463746 (CHEMBL3404560)	Inhibition of human recombinant MAOA using kynuramine substrate assessed as reduction in MAO-generated 4-hydroxyquinoline level by fluorescence spectrophotometry
50045558	2	ChEMBL_1463748 (CHEMBL3404562)	Inhibition of human recombinant MAOB using kynuramine substrate assessed as reduction in MAO-generated 4-hydroxyquinoline level by fluorescence spectrophotometry
50045558	3	ChEMBL_1463753 (CHEMBL3404567)	Competitive inhibition of human recombinant MAOB using kynuramine substrate assessed as reduction in MAO-generated 4-hydroxyquinoline level by Lineweaver-Burk plot
50016144	7	ChEMBL_305335 (CHEMBL833556)	Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2A expressed in Xenopus oocytes
50016144	10	ChEMBL_304709 (CHEMBL828008)	Mean inhibitory concentration against potassium channel HERG
50045559	1	ChEMBL_1463777 (CHEMBL3404787)	Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 hrs
50016144	2	ChEMBL_305337 (CHEMBL833558)	Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2C expressed in Xenopus oocytes
50016144	4	ChEMBL_305336 (CHEMBL833557)	Mean inhibitory concentration against rat N-methyl-D-aspartate (NMDA) glutamate receptor 1a/2B expressed in Xenopus oocytes
50045559	2	ChEMBL_1463778 (CHEMBL3404788)	Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assessed as luciferase activity after 24 hrs
50045560	1	ChEMBL_1464036 (CHEMBL3406221)	Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 mins before addition of PHOME substrate and measured 50 mins after substrate addition by microplate reader based fluorescence assay
50016145	1	ChEMBL_305621 (CHEMBL829484)	Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)
50045561	1	ChEMBL_1464057 (CHEMBL3406242)	Inhibition of human CA-2 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry
50045561	2	ChEMBL_1464056 (CHEMBL3406241)	Inhibition of human CA-1 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry
50045561	3	ChEMBL_1464058 (CHEMBL3406243)	Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis
50045561	4	ChEMBL_1464059 (CHEMBL3406244)	Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis
50045562	1	ChEMBL_1464308 (CHEMBL3404575)	Inhibition of mouse IL5-mediated mouse Y16 cell proliferation after 48 hrs by WST1 assay
50016148	1	ChEMBL_305293 (CHEMBL832841)	Inhibitory concentration against prostaglandin G/H synthase 2 of human whole blood
50016149	2	ChEMBL_305152 (CHEMBL832604)	Inhibitory concentration against human leutinizing releasing hormone receptor
50016149	1	ChEMBL_305068 (CHEMBL832700)	Inhibitory concentration against rat leutinizing releasing hormone receptor
50046809	16	ChEMBL_1527394 (CHEMBL3636769)	Displacement of [3H]-LSD from recombinant human 5-HT6 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	17	ChEMBL_1527395 (CHEMBL3636770)	Displacement of [3H]-Clonidine from recombinant human adrenergic alpha2A receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046809	18	ChEMBL_1527396 (CHEMBL3636771)	Displacement of [3H]-WIN35428 from recombinant human DAT after 1.5 hrs by Microbeta scintillation counting analysis
50045563	1	ChEMBL_1464314 (CHEMBL3404581)	Inhibition of MAGL (unknown origin)
50045563	2	ChEMBL_1464315 (CHEMBL3404582)	Inhibition of cathepsin B (unknown origin)
50045563	3	ChEMBL_1464322 (CHEMBL3404589)	Inhibition of SHP2 (unknown origin)
50045563	4	ChEMBL_1464312 (CHEMBL3404579)	Inhibition of AchE (unknown origin)
50016153	1	ChEMBL_304711 (CHEMBL828009)	In vitro inhibitory concentration against Cytochrome P450 2C9
50016153	3	ChEMBL_304823 (CHEMBL877321)	In vitro inhibitory concentration against human Cytochrome P450 3A4
50045564	1	ChEMBL_1464325 (CHEMBL3404592)	Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric method
50045564	2	ChEMBL_1464323 (CHEMBL3404590)	Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric method
50016155	4	ChEMBL_305684 (CHEMBL828056)	Inhibition of Matrix metalloprotease-2 in MMPi assay
50016155	3	ChEMBL_305683 (CHEMBL828055)	Inhibition of Matrix metalloprotease-1 in MMPi assay
50045564	3	ChEMBL_1464326 (CHEMBL3404593)	Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method
50045565	1	ChEMBL_1464330 (CHEMBL3404597)	Displacement of [3H]-ketanserin from human cloned 5-HT2A receptor expressed in CHO-K1 cells at 0.1 and 1 uM
50045565	2	ChEMBL_1464328 (CHEMBL3404595)	Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells at 0.1 and 1 uM
50045565	3	ChEMBL_1464329 (CHEMBL3404596)	Displacement of [3H]-8-OH-DPAT from human cloned 5-HT1A receptor expressed in HEK293 cells at 0.1 and 1 uM
50016160	1	ChEMBL_302319 (CHEMBL828907)	Inhibitory constant against human Carbonic anhydrase IX
50016160	3	ChEMBL_302315 (CHEMBL840829)	Inhibitory constant against human Carbonic anhydrase II
50016160	2	ChEMBL_302303 (CHEMBL875191)	Inhibitory constant against human Carbonic anhydrase I
50045565	4	ChEMBL_1464331 (CHEMBL3404598)	Displacement of [3H]-5-CT from human cloned 5-HT7R expressed in HEK293 cells at 0.1 and 1 uM
50045565	5	ChEMBL_1464332 (CHEMBL3404599)	Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells using seven compounds concentrations
50045565	6	ChEMBL_1464333 (CHEMBL3404600)	Displacement of [3H]-ketanserin from human cloned 5-HT2A receptor expressed in CHO-K1 cells using seven compounds concentrations
50045566	1	ChEMBL_1464338 (CHEMBL3404605)	Inhibition of human PDE7A expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting
50016162	3	ChEMBL_302321 (CHEMBL828908)	Inhibitory constant against human Carbonic anhydrase IX
50016162	2	ChEMBL_302305 (CHEMBL827065)	Inhibitory constant against human Carbonic anhydrase I
50016162	1	ChEMBL_302317 (CHEMBL828905)	Inhibitory constant against human Carbonic anhydrase II
50016163	10	ChEMBL_304598 (CHEMBL840831)	Inhibition of Phosphodiesterase 9
50016163	4	ChEMBL_305102 (CHEMBL832406)	Inhibitory concentration against human phosphodiesterase 10
50016163	1	ChEMBL_305052 (CHEMBL831689)	Inhibition of human phosphodiesterase 2
50045566	2	ChEMBL_1464339 (CHEMBL3404606)	Inhibition of human PDE4B expressed in insect cells assessed as inhibition of [3H]cAMP to [3H]AMP hydrolysis after 30 mins by scintillation counting
50045566	3	ChEMBL_1464341 (CHEMBL3404608)	Inhibition of PDE3A (unknown origin)
50045566	4	ChEMBL_1464342 (CHEMBL3404609)	Inhibition of PDE5A (unknown origin)
50045567	1	ChEMBL_1466462 (CHEMBL3406572)	Inhibition of human recombinant CYP3A4 assessed as effect on conversion of beetle D-luciferin derivative into D-luciferin by firefly luciferase based luminescence assay
50045568	1	ChEMBL_1466467 (CHEMBL3406577)	Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins by Ellman method
50016164	1	ChEMBL_304632 (CHEMBL828516)	Concentration required to inhibit renin activity by 50%
50045568	2	ChEMBL_1466466 (CHEMBL3406576)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method
50016167	1	ChEMBL_302988 (CHEMBL830227)	Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells
50045569	1	ChEMBL_1466488 (CHEMBL3406798)	Inhibition of ovine recombinant COX-1 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA
50045569	2	ChEMBL_1466489 (CHEMBL3406799)	Inhibition of human recombinant COX-2 using PGH2 as substrate incubated for 10 mins prior to arachidonic acid addition measured after 2 mins by EIA
50016170	1	ChEMBL_305410 (CHEMBL833059)	Inhibition of mitogen-activated protein kinase p38 alpha
50016171	1	ChEMBL_302348 (CHEMBL828931)	Inhibitory activity against phospholipase A2
50045570	1	ChEMBL_1466497 (CHEMBL3406807)	Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay
50045571	1	ChEMBL_1466547 (CHEMBL3407004)	Inhibition of N-terminal GST tagged human recombinant full-length IRAK4 expressed in Sf9 insect cells assessed as reduction in substrate phosphorylation using RP7030 peptide substrate and ATP incubated for 30 mins fluorescence polarization assay
50024631	5	ChEMBL_525847 (CHEMBL972957)	Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in insect Sf9 cells
50024631	3	ChEMBL_525848 (CHEMBL972958)	Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in insect Sf9 cells
50024631	4	ChEMBL_525849 (CHEMBL972959)	Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in insect Sf9 cells
50024631	2	ChEMBL_525850 (CHEMBL972960)	Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in insect Sf9 cells
50024631	1	ChEMBL_525851 (CHEMBL972961)	Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in insect Sf9 cells
50024632	1	ChEMBL_525852 (CHEMBL972962)	Inhibition of FOXO1a nuclear export in PTEN-deficient cells
50024638	1	ChEMBL_525867 (CHEMBL972978)	Inhibition of Eimera tenella CGMP-dependent protein kinase by radiometric assay
50024640	2	ChEMBL_549642 (CHEMBL1020261)	Displacement of [3H2]F3-methylAA from human LXRalpha expressed in Escherichia coli BL21 cells by scintillation proximity assay
50016173	10	ChEMBL_303605 (CHEMBL829694)	Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-1 receptor expressed in HEK293 cells
50016173	9	ChEMBL_310337 (CHEMBL832471)	Agonist activity at human Melanocortin-4 receptor as peptide required for 50% maximal cAMP release (n > or =2)
50016173	1	ChEMBL_303608 (CHEMBL829697)	Inhibition of [125I]NDP-alpha-MSH binding to melanocortin-5 receptor expressed in HEK293 cells
50016173	6	ChEMBL_302520 (CHEMBL827373)	Binding affinity for rat melanocortin-4 receptor
50016173	2	ChEMBL_302520 (CHEMBL827373)	Binding affinity for rat melanocortin-4 receptor
50045572	1	ChEMBL_1466554 (CHEMBL3407011)	Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP
50016175	3	ChEMBL_303108 (CHEMBL829618)	Inhibition of [3H]SQ-29,548 binding to human prostanoid TP receptor
50016175	9	ChEMBL_303061 (CHEMBL828887)	Inhibition of [3H]PGE-2 binding to human prostanoid EP3 receptor
50016175	1	ChEMBL_303131 (CHEMBL828948)	Inhibition of [3H]iloprost binding to human prostanoid IP receptor
50016175	8	ChEMBL_303033 (CHEMBL828861)	Inhibition of [3H]PGF-2 binding to human prostanoid FP receptor
50016175	6	ChEMBL_303062 (CHEMBL828888)	Inhibition of [3H]PGE-2 binding to human prostanoid EP4 receptor
50016175	4	ChEMBL_303059 (CHEMBL828885)	Inhibition of [3H]-PGE-2 binding to human prostanoid EP1 receptor
50016175	5	ChEMBL_303032 (CHEMBL828860)	Inhibition of [3H]PGD-2 binding to human prostanoid DP receptor
50016175	2	ChEMBL_302462 (CHEMBL826328)	Inhibition of rat prostanoid EP4 receptor
50016175	7	ChEMBL_303060 (CHEMBL828886)	Inhibition of [3H]PGE-2 binding to human prostanoid EP2 receptor
50045572	2	ChEMBL_1466555 (CHEMBL3407012)	Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP
50045572	3	ChEMBL_1466556 (CHEMBL3407013)	Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay
50045573	1	ChEMBL_1466563 (CHEMBL3407020)	Inhibition of SYK in human mast cell cultures assessed as reduction in ionomycin-induced calcium mobilization mediated degranulation by tryptase release assay
50045573	2	ChEMBL_1466562 (CHEMBL3407019)	Inhibition of SYK in human mast cell cultures assessed as reduction in IgE-induced FCepsilonR1 mediated degranulation by tryptase release assay
50016178	1	ChEMBL_302475 (CHEMBL827167)	Inhibition of [3H]DAMGO binding to rat whole brain Opioid receptor mu
50016179	2	ChEMBL_303136 (CHEMBL829064)	Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral striatum
50016179	1	ChEMBL_302994 (CHEMBL830233)	Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain
50016179	3	ChEMBL_303360 (CHEMBL838695)	Inhibition of [3H]spiperone binding to Dopamine receptor D2-like in rat caudate-putamen membrane
50016182	1	ChEMBL_305616 (CHEMBL829479)	Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)
50016183	2	ChEMBL_304919 (CHEMBL827811)	Inhibition of EPH receptor B2 using ELISA
50016183	1	ChEMBL_302212 (CHEMBL826985)	Equilibrium binding constant for EPH receptor B2
50016185	3	ChEMBL_303458 (CHEMBL839718)	Inhibition of endomorphin-2 binding to rat brain mu opioid receptor
50016185	6	ChEMBL_303715 (CHEMBL829050)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to mouse brain mu opioid receptor
50016185	1	ChEMBL_303787 (CHEMBL830144)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain opioid receptor
50016185	5	ChEMBL_303790 (CHEMBL830147)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain opioid receptor
50016185	4	ChEMBL_303786 (CHEMBL830143)	Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding torat brain mu opioid receptor
50016188	2	ChEMBL_306594 (CHEMBL832941)	Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells; range = 1-10 uM
50016188	1	ChEMBL_306317 (CHEMBL827762)	Inhibition of [125I]SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells
50016190	1	ChEMBL_304392 (CHEMBL830042)	Agonistic activity as increased intracellular calcium level by human LPA3 receptor expressed in Sf9 cells
50045573	3	ChEMBL_1466564 (CHEMBL3407021)	Inhibition of SYK (unknown origin)
50045574	1	ChEMBL_1466567 (CHEMBL3407024)	Inhibition of SHP1 (unknown origin)
50045574	2	ChEMBL_1466568 (CHEMBL3407025)	Inhibition of SHP2 (unknown origin)
50045574	3	ChEMBL_1466565 (CHEMBL3407022)	Inhibition of PTP1B (unknown origin)
50045574	4	ChEMBL_1466566 (CHEMBL3407023)	Inhibition of TCPTP (unknown origin)
50045575	1	ChEMBL_1466580 (CHEMBL3407173)	Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate
50045575	2	ChEMBL_1466587 (CHEMBL3407180)	Inhibition of trypsin (unknown origin)
50045575	3	ChEMBL_1466589 (CHEMBL3407182)	Inhibition of human factor 7a
50045575	4	ChEMBL_1466585 (CHEMBL3407178)	Inhibition of factor 2a (unknown origin)
50045575	5	ChEMBL_1466586 (CHEMBL3407179)	Inhibition of factor 10a (unknown origin)
50045576	1	ChEMBL_1466612 (CHEMBL3407205)	Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay
50045576	2	ChEMBL_1466613 (CHEMBL3407206)	Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay
50045576	3	ChEMBL_1466615 (CHEMBL3404057)	Agonist activity at rat NTS2 overexpressed in CHO-k1 cells assessed as calcium mobilization by FLIPR assay
50045577	1	ChEMBL_1466693 (CHEMBL3404291)	Inhibition of bovine brain tubulin assembly
50045577	2	ChEMBL_1466619 (CHEMBL3404061)	Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method
50045577	3	ChEMBL_1466620 (CHEMBL3404062)	Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method
50045577	4	ChEMBL_1466621 (CHEMBL3404063)	Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot method
50016194	1	ChEMBL_305138 (CHEMBL832433)	Ex vivo inhibitory concentration against human choline kinase
50045578	1	ChEMBL_1466700 (CHEMBL3404298)	Inhibition of hepsin (unknown origin)
50045578	2	ChEMBL_1466701 (CHEMBL3404299)	Inhibition of HGFA (unknown origin) after 40 mins by Eadie-Hofstee plot analysis
50045578	3	ChEMBL_1466699 (CHEMBL3404297)	Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay
50045578	4	ChEMBL_1466698 (CHEMBL3404296)	Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay
50045578	5	ChEMBL_1466697 (CHEMBL3404295)	Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay
50045578	6	ChEMBL_1466696 (CHEMBL3404294)	Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells incubated for 30 mins prior to cromogenic substrate addition by spectrophotometry
50016198	1	ChEMBL_304730 (CHEMBL876476)	Inhibitory activity against Human Recombinant Adenosine Kinase
50045579	1	ChEMBL_1466703 (CHEMBL3404496)	Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode
50016201	2	ChEMBL_306012 (CHEMBL833528)	In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells
50016201	1	ChEMBL_306011 (CHEMBL833527)	In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells
50016202	7	ChEMBL_303110 (CHEMBL829620)	Binding affinity for ionotropic Glutamate receptor AMPA 2 expressed in Sf9 cells
50016202	1	ChEMBL_303109 (CHEMBL829619)	Binding affinity for ionotropic Glutamate receptor AMPA 1 expressed in Sf9 cells
50016202	8	ChEMBL_303111 (CHEMBL876377)	Binding affinity for ionotropic Glutamate receptor AMPA 3 expressed in Sf9 cells
50016202	2	ChEMBL_310490 (CHEMBL834064)	In vitro activity at Ionotropic glutamate receptor using cortical wedge assays in rat brain synaptosoma
50016202	5	ChEMBL_303150 (CHEMBL829124)	Binding affinity for kainate Glutamate receptor GluR6 expressed in Sf9 cells
50016202	6	ChEMBL_303149 (CHEMBL829123)	Binding affinity for kainate Glutamate receptor GluR5 expressed in Sf9 cells
50016202	4	ChEMBL_303112 (CHEMBL829621)	Binding affinity for ionotropic Glutamate receptor AMPA 4 expressed in Sf9 cells
50016204	2	ChEMBL_310661 (CHEMBL838008)	Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation
50016204	3	ChEMBL_306696 (CHEMBL830853)	Inhibition of human peroxisome proliferator activated receptor gamma binding
50016204	1	ChEMBL_305064 (CHEMBL832696)	Inhibitory concentration against Cytochrome P450 2C9 in rats
50016205	1	ChEMBL_305151 (CHEMBL876981)	Inhibitory concentration against human dipeptidylpeptidase IV
50016205	2	ChEMBL_305067 (CHEMBL832699)	Inhibitory concentration against rat dipeptidylpeptidase IV
50016207	5	ChEMBL_302761 (CHEMBL838825)	Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat midbrain cortex
50016207	1	ChEMBL_302728 (CHEMBL838676)	Inhibitory constant against reuptake of [3H]NE at norepinephrine transporter of rat parietal-occipital cortex
50016207	4	ChEMBL_302727 (CHEMBL839597)	Inhibitory constant against reuptake of [3H]-DA at dopamine transporter of rat striatal membranes
50016207	3	ChEMBL_302666 (CHEMBL839954)	Inhibitory constant for [3H]NE reuptake at norepinephrine transporter of rat parietal-occipital cortex
50016208	2	ChEMBL_303398 (CHEMBL840061)	Inhibition of [3H]naloxone binding to rat brain homogenate Opioid receptor delta
50016208	1	ChEMBL_303361 (CHEMBL838696)	Inhibition of [3H]naloxone binding to rat brain homogenate Opioid receptor mu
50045580	1	ChEMBL_1466707 (CHEMBL3404500)	Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50016214	1	ChEMBL_304766 (CHEMBL829362)	Inhibitory concentration against Protein tyrosine phosphatase 1B
50016216	1	ChEMBL_303284 (CHEMBL828277)	Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand
50046809	19	ChEMBL_1527397 (CHEMBL3636772)	Displacement of [3H]-Pentazocine from recombinant human sigma-1 receptor after 1.5 hrs by Microbeta scintillation counting analysis
50046810	1	ChEMBL_1527399 (CHEMBL3636774)	Inhibition VEGFR2 (unknown origin) for 30 mins by ELISA
50045580	2	ChEMBL_1466706 (CHEMBL3404499)	Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50046810	2	ChEMBL_1527400 (CHEMBL3636775)	Inhibition of human HDAC in HeLa cell nuclear extract by fluorometric assay using Fluor de Lys substrate
50016218	1	ChEMBL_304764 (CHEMBL829361)	Inhibitory concentration against MurB enzyme in Escherichia coli
50016218	3	ChEMBL_304867 (CHEMBL829244)	Inhibitory concentration against MurB enzyme in Staphylococcus aureus
50016218	2	ChEMBL_304763 (CHEMBL829360)	Inhibitory concentration against MurA enzyme in Escherichia coli
50016219	1	ChEMBL_306305 (CHEMBL828597)	Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor
50016220	4	ChEMBL_303456 (CHEMBL839716)	Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]NDP-MSH as radioligand
50016220	2	ChEMBL_303498 (CHEMBL839970)	Binding affinity at melanocortin-5 receptor stably transfected in HEK 293 cells using [125I]NDP-MSH as radiolabeled
50016220	1	ChEMBL_303497 (CHEMBL839969)	Binding affinity at melanocortin-1 receptor stably transfected in HEK 293 cells using [125I]NDP-MSH as radiolabeled
50016220	3	ChEMBL_310462 (CHEMBL834407)	Agonistic effective concentration to stimulate cAMP in CHO cells stably expressing the human melanocortin-4 receptor 
50016221	1	ChEMBL_317594 (CHEMBL825590)	Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 cells using [125I](Phe13, Tyr19) MCH
50016221	4	ChEMBL_306643 (CHEMBL832980)	Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 transiently expressed in COS-1 cells using [125I]PYY
50016221	2	ChEMBL_306839 (CHEMBL831030)	Inhibitory activity against human wild type Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 cells using [125I](Phe13, Tyr19) MCH (n=3)
50016221	3	ChEMBL_306656 (CHEMBL831429)	Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]MK-912
50016221	6	ChEMBL_317595 (CHEMBL825591)	Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 cells using [125I](Phe13, Tyr19) MCH (n=8)
50016221	5	ChEMBL_312971 (CHEMBL826647)	Inhibitory activity against human wild type Melanin concentrating hormone receptor 1 induced calcium flux stably expressed in HEK293 cells (n=6)
50016227	1	ChEMBL_312139 (CHEMBL824877)	Inhibition of 5-lipoxygenase mediated LTB4 synthesis in A-23187 simulated human whole blood
50045580	3	ChEMBL_1466705 (CHEMBL3404498)	Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50016233	3	ChEMBL_302965 (CHEMBL827945)	Inhibitory constant against human Opioid receptor mu 1 using [3H]diprenorphine as radio ligand
50016233	4	ChEMBL_306014 (CHEMBL874551)	Inhibition of cytochrome P450 2D6 was determined using MAMC (7-methoxy-4-aminomethyl-coumarin) as substrate
50016233	5	ChEMBL_302970 (CHEMBL827950)	Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand
50045581	1	ChEMBL_1466708 (CHEMBL3404501)	Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presence of 33P-gamma-ATP
50016236	1	ChEMBL_305987 (CHEMBL832974)	Inhibitory concentration against beef liver Vitamin K epoxide reductase (vitamin K 2,3-epoxide reductase)
50016237	5	ChEBML_305365	Inhibitory concentration against human C-C chemokine receptor type 4
50016237	4	ChEBML_305185	Inhibitory concentration against C-C chemokine receptor type 2
50045582	1	ChEMBL_1466785 (CHEMBL3405541)	Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintillation counting analysis
50016237	1	ChEMBL_305957 (CHEMBL831970)	Inhibitory concentration against human C-C chemokine receptor type 4; range = 3.6-6.1 uM
50016239	1	ChEMBL_305925 (CHEMBL833472)	In vitro inhibition of gamma-secretase as amyloid peptide production in SH-SY5Y cells
50045582	2	ChEMBL_1466786 (CHEMBL3405542)	Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintillation counting analysis
50016247	2	ChEMBL_304737 (CHEMBL829337)	Inhibition of human estrogen receptor alpha
50016247	1	ChEMBL_304718 (CHEMBL827158)	Inhibition of human estrogen receptor beta
50016252	2	ChEMBL_305284 (CHEMBL832833)	Inhibitory concentration against Beta Glucosidase from Caldocellum saccharolyticum
50016252	7	ChEMBL_305148 (CHEMBL832601)	Inhibitory concentration against Beta Glucosidase Caldocellum saccharolyticum
50016252	1	ChEBML_305320	Inhibitory concentration against Beta Glucosidase from Caldocellum saccharolyticum 
50046810	3	ChEMBL_1527402 (CHEMBL3636777)	Inhibition of human recombinant HDAC1 by fluorometric assay using Fluor de Lys substrate
50046810	4	ChEMBL_1527403 (CHEMBL3636778)	Inhibition of human recombinant HDAC2 by fluorometric assay using Fluor de Lys substrate
50016253	4	ChEMBL_306290 (CHEMBL828432)	In vivo inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells
50016253	2	ChEMBL_306311 (CHEMBL827704)	In vitro inhibitory concentration against displacement of 35[S] MK-499 binding to hERG channel expressed in HEK293 cells
50045582	3	ChEMBL_1466784 (CHEMBL3405540)	Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintillation counting analysis
50016254	1	ChEMBL_304873 (CHEMBL829249)	Inhibitory concentration against acetylcholinesterase
50045582	4	ChEMBL_1466787 (CHEMBL3405543)	Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintillation counting analysis
50046810	5	ChEMBL_1527404 (CHEMBL3636779)	Inhibition of human recombinant HDAC6 by fluorometric assay using Fluor de Lys substrate
50046810	6	ChEMBL_1527405 (CHEMBL3636780)	Inhibition of human recombinant HDAC8 by fluorometric assay using Fluor de Lys substrate
50046811	1	ChEMBL_1527410 (CHEMBL3636785)	Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay
50046811	2	ChEMBL_1527409 (CHEMBL3636784)	Inhibition of EGFR (unknown origin) after 120 mins by HotSpot assay
50016276	1	ChEMBL_310325 (CHEMBL833281)	Evaluation of the functional effect on cAMP responses in RGT cells expressing human mGlu3 receptor
50016276	6	ChEMBL_303521 (CHEMBL839635)	Displacement of [3H]-341495 binding to membranes expressing recombinant human Metabotropic glutamate receptor 3
50016276	5	ChEMBL_303520 (CHEMBL839634)	Displacement of [3H]-341495 binding to membranes expressing recombinant human Metabotropic glutamate receptor 2
50016276	3	ChEMBL_312278 (CHEMBL836553)	Evaluation of the functional effect on cAMP responses in RGT cells expressing human mGlu3 receptor
50016276	2	ChEMBL_310324 (CHEMBL833280)	Evaluation of the functional effect on cAMP responses in RGT cells expressing human mGlu2 receptor
50016276	4	ChEMBL_312277 (CHEMBL836552)	Evaluation of the functional effect on cAMP responses in RGT cells expressing human mGlu2 receptor
50016277	1	ChEMBL_305884 (CHEMBL832746)	Inhibitory concentration against human Prostaglandin G/H synthase 2 (COX-2)
50016277	2	ChEMBL_305885 (CHEMBL832747)	Inhibitory concentration against ovine Prostaglandin G/H synthase 1 (COX-1)
50016278	2	ChEMBL_305688 (CHEMBL828060)	Inhibitory concentration against mouse soluble epoxide hydrolase (sEH) at 0.12 uM
50016278	1	ChEMBL_305686 (CHEMBL828058)	Inhibitory concentration against human soluble epoxide hydrolase (sEH) at 0.24 uM
50016281	1	ChEMBL_303226 (CHEMBL827191)	Inhibition of [3H][Ile5,6]-deltorphin I binding to rat Opioid receptor delta
50016281	2	ChEMBL_302913 (CHEMBL830373)	Inhibition of [3H]naloxone binding to rat Opioid receptor mu
50016283	1	ChEMBL_305847 (CHEMBL829588)	Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II)
50016284	1	ChEMBL_304131 (CHEMBL840248)	Effective concentration against farnesoid X receptor (FXR)
50016286	1	ChEMBL_302568 (CHEMBL839530)	Inhibition constant against human immunodeficiency virus 1 protease
50016288	1	ChEMBL_305248 (CHEMBL876990)	Inhibition of Ribosomal protein S6 kinase 1 (S6K1)
50016289	8	ChEMBL_302276 (CHEMBL830295)	Inhibition constant against rat cathepsin K
50016289	5	ChEMBL_302893 (CHEMBL830209)	Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC
50016289	1	ChEMBL_303351 (CHEMBL839666)	Inhibition constant against human cathepsin B in fluorescence assay using Cbz-Phe-Arg-AMC
50016289	3	ChEMBL_303352 (CHEMBL839667)	Inhibition constant against human cathepsin K in fluorescence assay using Cbz-Phe-Arg-AMC
50016289	2	ChEMBL_302329 (CHEMBL875194)	Inhibition constant against human cathepsin K
50016289	4	ChEMBL_302893 (CHEMBL830209)	Inhibition constant against human cathepsin L using Cbz-Phe-Arg-AMC
50016290	3	ChEMBL_304946 (CHEMBL877333)	In vitro inhibitory concentration against Chymotrypsin (serine protease)
50045583	1	ChEMBL_1466788 (CHEMBL3405544)	Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scintillation counting method
50045584	1	ChEMBL_1466798 (CHEMBL3405554)	Inhibition of human NPC1L1 transfected in MDCK2 cells assessed as [3H]cholesterol uptake after 1 hr by liquid scintillation counting analysis
50045585	1	ChEMBL_1466806 (CHEMBL3405562)	Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with His-tagged p53 after 1 hr by HTRF assay
50045586	1	ChEMBL_1466842 (CHEMBL3405777)	Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
50016293	3	ChEMBL_308633 (CHEMBL834886)	Inhibition constant against human recombinant carbonic anhydrase I
50016293	1	ChEMBL_308634 (CHEMBL834887)	Inhibition constant against human recombinant carbonic anhydrase II
50016293	2	ChEMBL_308635 (CHEMBL834888)	Inhibition constant against human recombinant carbonic anhydrase IX catalytic domain
50016296	3	ChEMBL_302561 (CHEMBL839523)	Inhibition constant against human carbonic anhydrase XII
50016296	5	ChEMBL_302503 (CHEMBL828219)	Inhibition constant against human carbonic anhydrase I
50016296	4	ChEMBL_302532 (CHEMBL827384)	Inhibition constant against human carbonic anhydrase IX
50016296	2	ChEMBL_302531 (CHEMBL827383)	Inhibition constant against human carbonic anhydrase II
50016296	1	ChEMBL_302533 (CHEMBL827385)	Inhibition constant against human carbonic anhydrase XI
50016298	2	ChEMBL_303341 (CHEMBL840157)	In vitro binding activity against C-C chemokine receptor type 3 using [35S]GTP-gamma-S, as radioligand
50016298	3	ChEMBL_312677 (CHEMBL834824)	Inhibitory concentration against BaF3 cell line expressed recombinant human CCR3 using the LDH assay
50016298	1	ChEMBL_303350 (CHEMBL839665)	In vitro binding activity against C-C chemokine receptor type 3 using [35S]GTP-gamma-S, as radioligand 
50045587	1	ChEMBL_1466859 (CHEMBL3405965)	Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay
50045588	1	ChEMBL_1466939 (CHEMBL3406417)	Binding affinity to bovine brain tubulin assessed as reduction in tubulin intrinsic tryptophan fluorescence intensity incubated for 45 mins by spectrophotometry based fluorescence titration assay
50045589	1	ChEMBL_1466976 (CHEMBL3406615)	Inhibition of mouse SR-B1 overexpressed in CHO cells assessed as inhibition of binding of ALexa-488-labeled HDL particles to cells after 3 hrs
50045589	2	ChEMBL_1466965 (CHEMBL3406604)	Inhibition of mouse SR-B1 overexpressed in CHO cells assessed as inhibition of transfer of the fluorescent lipid DiI from HDL particles to cells after 3 hrs
50016302	1	ChEMBL_302346 (CHEMBL828930)	In vitro binding affinity against matrix metalloprotease 2
50016302	5	ChEMBL_302345 (CHEMBL828929)	In vitro binding affinity against matrix metalloprotease 1
50016302	3	ChEMBL_305606 (CHEMBL828144)	In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme
50016302	4	ChEMBL_302358 (CHEMBL828077)	In vitro binding affinity against matrix metalloprotease 13
50016304	5	ChEMBL_305188 (CHEMBL832776)	Inhibitory concentration against alpha tryptase was determined
50016306	1	ChEMBL_306352 (CHEMBL828171)	Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]MCH
50016306	2	ChEMBL_305848 (CHEMBL874545)	Inhibitory concentration against Melanin-concentrating hormone receptor 1 in diet-induced obese mice
50016307	3	ChEMBL_303771 (CHEMBL829301)	In vitro binding affinity measured by displacement of [3H]rauwolscine from alpha-2c adrenergic receptor expressed in CHO cells in presence of phentolamine
50016307	1	ChEMBL_302589 (CHEMBL839549)	In vitro binding affinity towards alpha-2a adrenergic receptor
50016310	2	ChEMBL_304761 (CHEMBL829358)	Inhibitory concentration against Adenosine Kinase (intact cells)
50016310	1	ChEMBL_304674 (CHEMBL877308)	Inhibitory concentration against Adenosine Kinase (enzyme)
50016311	2	ChEMBL_304865 (CHEMBL829242)	Inhibitory concentration against Matrix metalloprotease-13 (MMP-13)
50016311	1	ChEMBL_304702 (CHEMBL828001)	Inhibitory concentration against TNF-alpha converting enzyme
50016311	3	ChEMBL_304826 (CHEMBL827914)	Inhibitory concentration against Matrix metalloprotease-1 (MMP-1)
50045589	3	ChEMBL_1466967 (CHEMBL3406606)	Inhibition of mouse SR-B1 overexpressed in CHO cells assessed as inhibition of [3H]cholesteryl ester uptake into cells after 2 to 3 hrs by liquid scintillation counting
50045590	1	ChEMBL_1469291 (CHEMBL3414093)	Inhibition of human placental microsome aromatase expressed in human MCF7 cells using [1beta-3H] androstenedione as substrate after 1 hr by liquid scintillation counting
50045590	2	ChEMBL_1469289 (CHEMBL3414091)	Inhibition of human placental microsome aromatase using [1beta-3H] androstenedione as substrate after 15 mins by liquid scintillation counting
50045591	1	ChEMBL_1469482 (CHEMBL3412279)	Inhibition of human ACC2
50045591	2	ChEMBL_1469481 (CHEMBL3412278)	Inhibition of rat recombinant ACC1
50045591	3	ChEMBL_1469477 (CHEMBL3412274)	In vitro inhibition of human recombinant His-tagged ACC2 assessed as malonyl-CoA level
50045591	4	ChEMBL_1469476 (CHEMBL3412273)	In vitro inhibition of human recombinant His-tagged ACC1 assessed as malonyl-CoA level
50045591	5	ChEMBL_1469473 (CHEMBL3412131)	Inhibition of human ACC2 assessed as malonyl CoA formation by NADH-linked kinetic method
50045592	1	ChEMBL_1469498 (CHEMBL3412295)	Inhibition of USP13 (unknown origin) by Ub-AMC assay
50045592	2	ChEMBL_1469497 (CHEMBL3412294)	Inhibition of USP10 (unknown origin) by Ub-AMC assay
50045592	3	ChEMBL_1469495 (CHEMBL3412292)	Inhibition of USP14 (unknown origin) by Ub-AMC assay
50045592	4	ChEMBL_1469492 (CHEMBL3412289)	Inhibition of USP1 (unknown origin) by Ub-Rho110 assay
50045592	5	ChEMBL_1469488 (CHEMBL3412285)	Inhibition of USP1 (unknown origin) by Ub-AMC assay
50045592	6	ChEMBL_1469487 (CHEMBL3412284)	Inhibition of USP1 (unknown origin) assessed as reduction in K63-linked diUb cleavage by gel electrophoresis based orthogonal diUb cleavage assay
50045592	7	ChEMBL_1469486 (CHEMBL3412283)	Inhibition of USP7 in multiple myeloma cells (unknown origin) by immunohistochemistry
50045592	8	ChEMBL_1469485 (CHEMBL3412282)	Inhibition of USP7 (unknown origin) by Ub-CHOP reporter assay
50045592	9	ChEMBL_1469484 (CHEMBL3412281)	Inhibition of human USP7 by Ub-AMC assay
50045592	10	ChEMBL_1469483 (CHEMBL3412280)	Inhibition of USP7 (unknown origin) by Ub-AMC assay
50045593	1	ChEMBL_1469500 (CHEMBL3412297)	Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum
50045593	2	ChEMBL_1469499 (CHEMBL3412296)	Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for 20 mins by HTRF assay
50045593	3	ChEMBL_1469730 (CHEMBL3413418)	Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for 20 mins by HTRF assay in presence of 15% human serum
50045593	4	ChEMBL_1469504 (CHEMBL3412301)	Binding affinity to human MDM2 by by isothermal titration calorimetry
50045593	5	ChEMBL_1469503 (CHEMBL3412300)	Binding affinity to human MDM2 by by surface plasmon resonace spectroscopy
50045594	1	ChEMBL_1469744 (CHEMBL3413432)	Binding affinity to human MDM2 by fluorescence polarization assay
50045594	2	ChEMBL_1469735 (CHEMBL3413423)	Binding affinity to MDM2 (unknown origin)
50045595	1	ChEMBL_1469748 (CHEMBL3413436)	Inhibition of recombinant human BuChE expressed in HEK293 cells preincubated for 15 mins
50045595	2	ChEMBL_1469747 (CHEMBL3413435)	Inhibition of recombinant human AChE expressed in HEK293 cells preincubated for 15 mins
50045595	3	ChEMBL_1469746 (CHEMBL3413434)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins
50045595	4	ChEMBL_1469745 (CHEMBL3413433)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins
50045595	5	ChEMBL_1469756 (CHEMBL3413444)	Reversible inhibition of human MAO-A expressed in baculovirus infected BTI insect cells
50045595	6	ChEMBL_1469760 (CHEMBL3413611)	Inhibition of rat MAO-A
50045595	7	ChEMBL_1469761 (CHEMBL3413612)	Inhibition of rat MAO-B
50045596	1	ChEMBL_1469975 (CHEMBL3414402)	Inhibition of human ERG by PDSP screening
50045596	2	ChEMBL_1469765 (CHEMBL3413616)	Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50045596	3	ChEMBL_1469954 (CHEMBL3414381)	Inhibition of CYP1A2 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysis
50045596	4	ChEMBL_1469955 (CHEMBL3414382)	Inhibition of CYP2C9 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysis
50045596	5	ChEMBL_1469956 (CHEMBL3414383)	Inhibition of CYP2C19 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysis
50045596	6	ChEMBL_1469957 (CHEMBL3414384)	Inhibition of CYP2D6 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysis
50045596	7	ChEMBL_1469958 (CHEMBL3414385)	Inhibition of CYP3A4 in human microsomes preincubated for 5 mins before substrate addition measured after 10 mins by LC/MS/MS analysis
50045596	8	ChEMBL_1469768 (CHEMBL3413619)	Displacement of [125I]I-AB-MECA from mouse A3 adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50045596	9	ChEMBL_1469774 (CHEMBL3413625)	Agonist activity at human recombinant A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 15 mins
50045596	10	ChEMBL_1469772 (CHEMBL3413623)	Agonist activity at mouse A3 adenosine receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 15 mins
50016317	1	ChEMBL_302287 (CHEMBL830304)	Inhibition constant against AICAR formyltransferase
50016319	1	ChEMBL_304655 (CHEMBL827857)	Inhibitory concentration against human plasma mu-calpain
50016321	2	ChEMBL_305146 (CHEMBL832599)	Inhibitory concentration against human 11-beta-hydroxysteroid dehydrogenase 2
50016321	1	ChEMBL_305145 (CHEMBL832598)	Inhibitory concentration against human 11-beta-hydroxysteroid dehydrogenase 1
50016322	2	ChEMBL_305648 (CHEMBL829506)	Inhibitory concentration against human inducible nitric oxide synthase expressed in Sf-9 cells
50016322	3	ChEMBL_305620 (CHEMBL829483)	Inhibitory concentration against human neuronal nitric oxide synthase expressed in Sf-9 cells
50016322	1	ChEMBL_305718 (CHEMBL829391)	Inhibitory concentration against human endothelial nitric oxide synthase expressed in Sf-9 cells
50016324	1	ChEMBL_305778 (CHEMBL827967)	Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor beta
50016324	2	ChEMBL_305813 (CHEMBL829466)	Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha
50016325	1	ChEMBL_305675 (CHEMBL827944)	In vitro inhibition of human gonadotropin-releasing hormone expressed in HEK293 cells
50016326	2	ChEMBL_303449 (CHEMBL839709)	In vitro binding affinity against 5-hydroxytryptamine 2A receptor using [125I]R91150 as radioligand expressed in L929 cells
50016326	1	ChEMBL_302942 (CHEMBL841777)	In vitro binding affinity against norepinephrine transporter using [3H]-nisoxetine as radioligand
50016326	3	ChEMBL_303483 (CHEMBL838857)	In vitro binding affinity against 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand expressed in CHO cells
50016328	1	ChEMBL_302548 (CHEMBL828250)	Binding affinity against rabbit muscle triose-phosphate isomerase
50016328	2	ChEMBL_305228 (CHEMBL831647)	Inhibitory concentration against rabbit muscle triose-phosphate isomerase
50016329	1	ChEMBL_306420 (CHEMBL828091)	Inhibitory concentration against CX3C chemokine receptor 3 expressed in human HEK293 cells using [125I]CXCL10 as radioligand
50016330	4	ChEMBL_305322 (CHEMBL833544)	Inhibition of human glucocorticoid receptor alpha isoform 
50016330	3	ChEMBL_304658 (CHEMBL827859)	Binding affinity for human estrogen receptor alpha
50016330	6	ChEMBL_304649 (CHEMBL828531)	Binding affinity for human estrogen receptor beta
50016330	1	ChEMBL_304631 (CHEMBL877131)	Binding affinity for human progesterone receptor
50016330	5	ChEMBL_304692 (CHEMBL876472)	Binding affinity for rat mineralocorticoid receptor
50016330	2	ChEMBL_304659 (CHEMBL827860)	Binding affinity for human glucocorticoid receptor
50016334	1	ChEMBL_304953 (CHEMBL827832)	Inhibitory concentration against Coagulation factor VIIa
50016335	1	ChEMBL_306146 (CHEMBL831381)	Inhibitory concentration against human sodium/hydrogen exchanger (NHE-1) in PS120 variant cells
50045596	11	ChEMBL_1469968 (CHEMBL3414395)	Binding affinity to 5HT2B receptor (unknown origin) by PDSP screening
50045596	12	ChEMBL_1469969 (CHEMBL3414396)	Binding affinity to 5HT2C receptor (unknown origin) by PDSP screening
50045597	1	ChEMBL_1469977 (CHEMBL3414404)	Inhibition of wild-type His-tagged human thymidylate synthase after 1 hr by UV-visible spectrophotometry
50045597	2	ChEMBL_1469978 (CHEMBL3411863)	Inhibition of His-tagged human thymidylate synthase K47A mutant after 1 hr by UV-visible spectrophotometry
50045597	3	ChEMBL_1469979 (CHEMBL3411864)	Inhibition of His-tagged human thymidylate synthase F59A mutant after 1 hr by UV-visible spectrophotometry
50045597	4	ChEMBL_1469980 (CHEMBL3411865)	Inhibition of His-tagged human thymidylate synthase L198A mutant after 1 hr by UV-visible spectrophotometry
50045597	5	ChEMBL_1469981 (CHEMBL3411866)	Inhibition of His-tagged human thymidylate synthase Y202A mutant after 1 hr by UV-visible spectrophotometry
50045597	6	ChEMBL_1469983 (CHEMBL3411868)	Inhibition of wild-type His-tagged human thymidylate synthase after 1 hr by dixon-plot method
50045597	7	ChEMBL_1469984 (CHEMBL3411869)	Mixed-type inhibition of His-tagged human thymidylate synthase K47A mutant after 1 hr by dixon-plot method
50045598	1	ChEMBL_1469995 (CHEMBL3411880)	Inhibition of human VEGFR1
50045598	2	ChEMBL_1469996 (CHEMBL3411881)	Inhibition of human VEGFR2
50045598	3	ChEMBL_1469997 (CHEMBL3411882)	Inhibition of mouse VEGFR2
50045598	4	ChEMBL_1469998 (CHEMBL3411883)	Inhibition of human VEGFR3
50045598	5	ChEMBL_1469999 (CHEMBL3411884)	Inhibition of human FGFR1
50045598	6	ChEMBL_1470000 (CHEMBL3411885)	Inhibition of human FGFR2
50045598	7	ChEMBL_1470001 (CHEMBL3411886)	Inhibition of human FGFR3
50045598	8	ChEMBL_1470002 (CHEMBL3411887)	Inhibition of human FGFR4
50045598	9	ChEMBL_1470003 (CHEMBL3411888)	Inhibition of human PDGFRalpha
50045598	10	ChEMBL_1470004 (CHEMBL3411889)	Inhibition of human PDGFRbeta
50045599	1	ChEMBL_1470205 (CHEMBL3412924)	Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured for 5 mins by oxyhemoglobin NO capture assay
50045599	2	ChEMBL_1470204 (CHEMBL3412923)	Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured for 5 mins by oxyhemoglobin NO capture assay
50045599	3	ChEMBL_1470206 (CHEMBL3412925)	Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured for 5 mins by oxyhemoglobin NO capture assay
50045599	4	ChEMBL_1470207 (CHEMBL3412926)	Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured for 5 mins by oxyhemoglobin NO capture assay
50045599	5	ChEMBL_1470222 (CHEMBL3412941)	Binding affinity to human 5-HT1A receptor after 90 mins by radioligand displacement assay
50045599	6	ChEMBL_1470223 (CHEMBL3412942)	Binding affinity to human 5-HT2A receptor after 90 mins by radioligand displacement assay
50045599	7	ChEMBL_1466979 (CHEMBL3411176)	Binding affinity to human adrenergic alpha-2C receptor after 90 mins by radioligand displacement assay
50045599	8	ChEMBL_1466980 (CHEMBL3411177)	Binding affinity to human sigma-1 receptor after 90 mins by radioligand displacement assay
50045599	9	ChEMBL_1466982 (CHEMBL3411179)	Binding affinity to human dopamine D3 receptor after 90 mins by radioligand displacement assay
50045599	10	ChEMBL_1466989 (CHEMBL3411186)	Inhibition of human CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)coumarin as substrate assessed as formation of 7-hydroxy-4-trifluoromethylcoumarin incubated for 2 mins prior to NADPH addition by fluorimetric assay
50045600	1	ChEMBL_1466991 (CHEMBL3411188)	Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry
50045600	2	ChEMBL_1466992 (CHEMBL3411189)	Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgammaS binding by liquid scintillation spectrometry
50045601	1	ChEMBL_1466995 (CHEMBL3411192)	Inhibition of C3 cleavage in human serum assessed as reduction in C3b formation compound preincubated for 15 mins measured 1 hr post LPS stimulation by ELISA
50045601	2	ChEMBL_1466996 (CHEMBL3411193)	Inhibition of C3 cleavage in human serum assessed as reduction in C5b-9 formation compound preincubated for 15 mins measured 1 hr post LPS stimulation by ELISA
50045602	1	ChEMBL_1467001 (CHEMBL3411198)	Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition measured after 1 hr by fluorescence assay
50045602	2	ChEMBL_1467008 (CHEMBL3411205)	Inhibition of FASN in human PANC1 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition measured after 2 hrs by scintillation counting
50045602	3	ChEMBL_1467009 (CHEMBL3411206)	Inhibition of FASN in human BxPC3 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition measured after 2 hrs by scintillation counting
50045603	1	ChEMBL_1467019 (CHEMBL3411216)	Inhibition of human recombinant PI3Kbeta using PIP2 by Kinase-Glo Plus assay
50045603	2	ChEMBL_1467020 (CHEMBL3411217)	Inhibition of human recombinant PI3Kgamma using PIP2 by Kinase-Glo Plus assay
50045603	3	ChEMBL_1467021 (CHEMBL3411218)	Inhibition of human recombinant PI3Kdelta using PIP2 by Kinase-Glo Plus assay
50045603	4	ChEMBL_1467023 (CHEMBL3411220)	Inhibition of PI3Kbeta in PTEN-null human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation after 2 hrs
50045603	5	ChEMBL_1467018 (CHEMBL3411215)	Inhibition of human recombinant PI3Kalpha using PIP2 by Kinase-Glo Plus assay
50016349	4	ChEMBL_306381 (CHEMBL828722)	Inhibition of baculovirus expressed human VEGFR2
50016349	1	ChEMBL_306568 (CHEMBL832085)	Inhibition of baculovirus expressed human trkA
50045603	6	ChEMBL_1467029 (CHEMBL3411226)	Inhibition of PI3Kdelta in human Jeko B cells assessed as inhibition of Akt phosphorylation after 2 hrs
50045603	7	ChEMBL_1467033 (CHEMBL3411230)	Inhibition of human ERG channel
50045604	1	ChEMBL_1467221 (CHEMBL3411418)	Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting
50045604	2	ChEMBL_1467222 (CHEMBL3411419)	Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins
50045605	1	ChEMBL_1467482 (CHEMBL3411105)	Activation of DOR in mouse vas deferens
50045605	2	ChEMBL_1467478 (CHEMBL3411101)	Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysis
50045605	3	ChEMBL_1467660 (CHEMBL3411022)	Displacement of [3H]DAMGO from rat brain MOR after 2 hrs
50045605	4	ChEMBL_1467661 (CHEMBL3411023)	Displacement of [3H]DSLET from rat brain DOR after 2 hrs
50045605	5	ChEMBL_1467479 (CHEMBL3411102)	Activation of MOR in guinea pig ileum
50045606	1	ChEMBL_1467708 (CHEMBL3411145)	Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured after 2 mins by enzyme immunoassay
50045606	2	ChEMBL_1467707 (CHEMBL3411144)	Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured after 2 mins by enzyme immunoassay
50045607	1	ChEMBL_1467882 (CHEMBL3412950)	Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50016360	2	ChEMBL_306227 (CHEMBL831135)	In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2) in human whole blood
50024645	1	ChEMBL_542096 (CHEMBL1022064)	Inhibition of RSK2 C-terminal kinase domain expressed in Escherichia coli preincubated for 30 mins
50024645	2	ChEMBL_542272 (CHEMBL1017821)	Inhibition of wild type FYN expressed in Escherichia coli
50016361	1	ChEMBL_305951 (CHEMBL831965)	In vitro inhibition of Eimeria tenella cGMP-dependent protein kinase
50016364	1	ChEMBL_305382 (CHEMBL832896)	Inhibitory concentration against human immunodeficiency virus 1 protease in MT-4 cells
50016364	2	ChEMBL_304206 (CHEMBL829746)	Effective concentration required to inhibit human immunodeficiency virus 1 protease in MT-4 cells
50016367	2	ChEMBL_306115 (CHEMBL830066)	In vitro inhibition of SR protein kinase 1 by compound dissolved in 100% DMSO using 5''-[gamma-33P]-triphosphate
50045607	2	ChEMBL_1467881 (CHEMBL3412949)	Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate after 30 mins
50016371	1	ChEMBL_304781 (CHEMBL829475)	Inhibitory concentration against Dipeptidylpeptidase IV [DPP-IV]
50016371	2	ChEMBL_304640 (CHEMBL828523)	Inhibitory concentration against Dipeptidylpeptidase 8
50016371	3	ChEMBL_305450 (CHEMBL830125)	Inhibitory concentration against DPP-II [Quiescent cell proline dipeptidase] or DPP-VII
50016372	1	ChEMBL_306316 (CHEMBL827761)	Displacement of [3H]NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes
50016373	4	ChEMBL_306041 (CHEMBL832998)	Inhibitory concentration against human P2X purinoceptor 3 (hP2X3) expressed in CHO-K1 cells
50016373	3	ChEMBL_306104 (CHEMBL874555)	Inhibitory concentration against human P2X purinoceptor 1 (hP2X1) expressed in CHO-K1 cells
50016373	2	ChEMBL_306323 (CHEMBL827768)	Inhibitory concentration against human P2X purinoceptor 2 (hP2X2) expressed in 1321N1 astrocytoma cells
50016374	3	ChEMBL_302574 (CHEMBL839535)	Inhibition of [3H]SQ-29,548 binding to human Prostanoid TP receptor
50016374	7	ChEMBL_302426 (CHEMBL828829)	Inhibition of [3H]PGE-2 binding to Prostanoid EP4 receptor
50016374	6	ChEMBL_302423 (CHEMBL828826)	Inhibition of [3H]PGE-2 binding to Prostanoid EP1 receptor
50016374	8	ChEMBL_302425 (CHEMBL828828)	Inhibition of [3H]-PGE-2 binding to Prostanoid EP3 receptor
50016374	4	ChEMBL_302424 (CHEMBL828827)	Inhibition of [3H]PGE-2 binding to Prostanoid EP2 receptor
50016374	5	ChEMBL_302597 (CHEMBL838565)	Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptor
50016374	1	ChEMBL_302517 (CHEMBL828232)	Inhibition of [3H]-PGF-2 binding to human Prostanoid FP receptor
50016374	2	ChEMBL_302516 (CHEMBL828231)	Inhibition of [3H]PGD-2 binding to human Prostanoid DP receptor
50045608	1	ChEMBL_1467916 (CHEMBL3413120)	Inhibition of human recombinant SIRT2 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated luminescence assay
50016377	1	ChEMBL_304405 (CHEMBL831810)	Effective concentration against murine voltage-gated potassium channel subunit Kv1.3 expressed in L929 cells using patch clamp
50016380	1	ChEMBL_306413 (CHEMBL827876)	Inhibition of HL-60 cell adhesion to recombinant human Selectin E
50016380	2	ChEMBL_306414 (CHEMBL827227)	Inhibition of HL-60 cell adhesion to recombinant human Selectin P
50016382	2	ChEMBL_305292 (CHEMBL876993)	Inhibitory concentration against prostaglandin G/H synthase 2 in human whole blood
50016385	2	ChEMBL_302139 (CHEMBL841763)	Dissociation constant value against growth factor receptor bound protein 2
50016385	1	ChEMBL_305462 (CHEMBL830958)	Inhibitory concentration against growth factor receptor bound protein 2
50016387	1	ChEMBL_306245 (CHEMBL831155)	Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli
50016387	2	ChEMBL_306229 (CHEMBL831137)	Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli
50016388	3	ChEMBL_304767 (CHEMBL828533)	Inhibition of human cyclin-dependent kinase 2
50016388	10	ChEMBL_305115 (CHEMBL831583)	Inhibition of human insulin-like growth factor I receptor
50016388	7	ChEMBL_305013 (CHEMBL829448)	Inhibition of human fibroblast growth factor receptor 1
50016388	11	ChEMBL_305591 (CHEMBL828038)	Inhibition of human vascular endothelial growth factor receptor 2 (Flk-1)
50016388	9	ChEMBL_304591 (CHEMBL828481)	Inhibition against human HER2 kinase
50016388	12	ChEMBL_305482 (CHEMBL830273)	Inhibition of human epidermal growth factor receptor (HER-1)
50016388	1	ChEMBL_305323 (CHEMBL833545)	Inhibition of human platelet-derived growth factor receptor beta
50016388	14	ChEMBL_311624 (CHEMBL833935)	Inhibitory concentration against human cytochrome P450 2C9
50016388	15	ChEMBL_311623 (CHEMBL833934)	Inhibitory concentration against human cytochrome P450 1A2
50016388	4	ChEMBL_304738 (CHEMBL829338)	Inhibition of human p56 lck tyrosine kinase
50045608	2	ChEMBL_1467914 (CHEMBL3413118)	Inhibition of human recombinant SIRT1 assessed as deacetylation of N-acetyl lysine residue in p53 (317 to 320) after 30 mins by luciferase-mediated luminescence assay
50016388	2	ChEMBL_305253 (CHEMBL832663)	Inhibition of human fibroblast growth factor receptor 1
50016388	13	ChEMBL_311625 (CHEMBL833936)	Inhibitory concentration against human cytochrome P450 3A4
50045608	3	ChEMBL_1468115 (CHEMBL3414001)	Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated for 60 mins followed by substrate addition measured after 30 mins by double-reciprocal plot analysis in presence of 5 mM NAD+
50045608	4	ChEMBL_1468119 (CHEMBL3414005)	Non-competitive inhibition of human recombinant SIRT2 using Z-QPK(Me)2K(Ac) as substrate assessed as decrease in maximal enzyme activity preincubated for 60 mins followed by substrate addition measured after 30 mins by double-reciprocal plot analysis in presence of 185 to 5000 uM NAD+
50045609	1	ChEMBL_1468135 (CHEMBL3414021)	Inhibition of human carbonic anhydrase 9
50045609	2	ChEMBL_1468134 (CHEMBL3414020)	Inhibition of bovine carbonic anhydrase 5
50045609	3	ChEMBL_1468133 (CHEMBL3414019)	Inhibition of human carbonic anhydrase 2
50045609	4	ChEMBL_1468132 (CHEMBL3414018)	Inhibition of human carbonic anhydrase 1
50045609	5	ChEMBL_1468129 (CHEMBL3414015)	Inhibition of 5-LO (unknown origin)
50045609	6	ChEMBL_1468123 (CHEMBL3414009)	Inhibition of stromelysin-1 (unknown origin)
50045610	1	ChEMBL_1468142 (CHEMBL3414028)	Inhibition of iNOS-induced nitric oxide production in LPS-stimulated mouse RAW264.7 cells pre-incubated for 2 hrs before LPS challenge by fluorescence assay
50045611	1	ChEMBL_1468170 (CHEMBL3414155)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr
50045611	2	ChEMBL_1468341 (CHEMBL3412220)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr
50045611	3	ChEMBL_1468342 (CHEMBL3412221)	Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 cells after 1 hrs
50016392	2	ChEMBL_304889 (CHEMBL828545)	In vitro inhibitory concentration against COX-1 enzyme
50016392	1	ChEMBL_304890 (CHEMBL828546)	In vitro inhibitory concentration against COX-2 enzyme
50045611	4	ChEMBL_1468343 (CHEMBL3412222)	Agonist activity at human 5HT7 receptor expressed in HEK293 cells assessed as cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF assay relative to control
50045611	5	ChEMBL_1468344 (CHEMBL3412223)	Antagonist activity at human 5HT7 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF assay relative to control
50045611	6	ChEMBL_1468169 (CHEMBL3414154)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr
50045611	7	ChEMBL_1468346 (CHEMBL3412225)	Antagonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF assay relative to control
50016397	7	ChEMBL_306220 (CHEMBL831128)	Inhibition of human cyclin G associated kinase at 100 uM ATP
50016397	5	ChEMBL_305793 (CHEMBL827981)	Inhibition of human RAF kinase at 100 uM ATP
50016397	2	ChEMBL_306478 (CHEMBL829556)	Inhibition of Mitogen-activated protein kinase 11 (P38 beta) at 100 uM ATP
50016397	8	ChEMBL_306410 (CHEMBL828751)	Inhibition v-src sarcoma viral oncogene homolog (Src) at 100 uM ATP
50016397	4	ChEMBL_306493 (CHEMBL827996)	Inhibition of Mitogen-activated protein kinase 14 (P38 alpha) at 100 uM ATP
50016397	3	ChEMBL_306129 (CHEMBL833068)	Inhibition of human casein kinase 1 delta at 100 uM ATP
50016397	6	ChEMBL_306515 (CHEMBL828120)	Inhibition of human mitogen-activated protein kinase 9 (JNK 2) at 100 uM ATP
50016397	1	ChEMBL_306685 (CHEMBL830019)	Inhibition of human receptor-interacting serine-threonine kinase 2 (RIPK2) at 100 uM ATP
50045611	8	ChEMBL_1468345 (CHEMBL3412224)	Agonist activity at human 5HT1A receptor expressed in HEK293 cells assessed as cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF assay relative to control
50045612	1	ChEMBL_1468617 (CHEMBL3413563)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in HEK-293 cells
50045612	2	ChEMBL_1468616 (CHEMBL3413562)	Displacement of [3H]RX-821002 from human adrenergic alpha2C receptor expressed in CHO cells
50045612	3	ChEMBL_1468615 (CHEMBL3413561)	Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in CHO cells
50016404	1	ChEMBL_313018 (CHEMBL874212)	Inhibitory concentration required for functional antagonism of MCH mediated Ca+2 release competing human IMR32 cells receptor in a FLIPRTM based assay
50016404	2	ChEMBL_306753 (CHEMBL830898)	Inhibition of binding to MCHR1 of human neuronal IMR32-derived cell-line I3.4.2 (Galpha-16 transfected)
50016405	4	ChEMBL_304582 (CHEMBL828473)	In vitro binding affinity against human PPARalpha
50016405	3	ChEMBL_304583 (CHEMBL828474)	In vitro binding affinity against human PPARdelta
50016405	5	ChEMBL_304584 (CHEMBL828475)	In vitro binding affinity against human PPARgamma
50016405	1	ChEMBL_310147 (CHEMBL838126)	Agonist activity against human PPARgamma in COS-1 cell Gal4 assay
50016405	2	ChEMBL_310146 (CHEMBL838125)	Agonist activity against human PPARalpha in COS-1 cell Gal4 assay
50016406	1	ChEMBL_304581 (CHEMBL828472)	Inhibitory concentration exhibited towards MSK-1
50016407	1	ChEMBL_303766 (CHEMBL829988)	Binding affinity towards the human MCH-R1 receptor by displacing [125I]Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independent measurements
50016409	9	ChEMBL_303075 (CHEMBL828178)	Inhibition of [125I]-AgRP(83132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells
50045612	4	ChEMBL_1468614 (CHEMBL3413560)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells
50016409	3	ChEMBL_303101 (CHEMBL829611)	Inhibition of [125I]NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells 
50016409	7	ChEMBL_300008 (CHEMBL840834)	Inhibition of [125I]NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells 
50045612	5	ChEMBL_1468613 (CHEMBL3413559)	Displacement of [3H]methylspiperone from human dopamine D4 receptor expressed in CHO cells
50045612	6	ChEMBL_1468612 (CHEMBL3413558)	Displacement of [3H]methylspiperone from human dopamine D3 receptor expressed in CHO cells
50016409	1	ChEMBL_303412 (CHEMBL840075)	Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells 
50045612	7	ChEMBL_1468611 (CHEMBL3413557)	Displacement of [3H]mesulergine from human 5-HT2C receptor expressed in HEK-293 cells
50016409	8	ChEMBL_300009 (CHEMBL852057)	Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells 
50045612	8	ChEMBL_1468610 (CHEMBL3413556)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK-293 cells
50045612	9	ChEMBL_1468609 (CHEMBL3413555)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-293 cells
50016413	1	ChEMBL_305083 (CHEMBL832713)	Inhibitory concentration against mouse NPY5 receptor at 1 um
50016414	4	ChEMBL_302279 (CHEMBL875188)	Inhibition constant against rat GnRH receptor
50016414	1	ChEMBL_303748 (CHEMBL829791)	In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HEK293 cells
50016414	3	ChEMBL_306074 (CHEMBL874554)	Inhibition of human GnRH receptor stimulated inositol phosphate accumulation in RBL cells
50016414	2	ChEMBL_302283 (CHEMBL830301)	Inhibition constant against monkey GnRH receptor
50016417	5	ChEMBL_306603 (CHEMBL832207)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells
50045612	10	ChEMBL_1468608 (CHEMBL3413554)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO cells
50016417	3	ChEMBL_306602 (CHEMBL832206)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells
50045612	11	ChEMBL_1468607 (CHEMBL3413553)	Displacement of [3H]methylspiperone from human D2S receptor expressed in HEK293 cells
50045612	12	ChEMBL_1468606 (CHEMBL3413552)	Agonist activity at human 5-HT6 receptor expressed in CHOK1 cells assessed as calcium mobilization by radiometric and luminescence plate counting method
50045612	13	ChEMBL_1468605 (CHEMBL3413551)	Antagonist activity at human dopamine D2 receptor expressed in CHOK1 cells assessed as inhibition of apomorphine-induced calcium mobilization by radiometric and luminescence plate counting method
50045612	14	ChEMBL_1468604 (CHEMBL3413550)	Agonist activity at human dopamine D2 receptor expressed in CHOK1 cells assessed as calcium mobilization by radiometric and luminescence plate counting method
50045612	15	ChEMBL_1468603 (CHEMBL3413549)	Inhibition of human ERG expressed in CHO cells assessed as reduction in channel current at holding potential of 0 mV by electrophysiological method
50045612	16	ChEMBL_1468602 (CHEMBL3413548)	Inhibition of muscarinic M1 receptor (unknown origin) assessed as reduction in control ligand binding
50045612	17	ChEMBL_1468595 (CHEMBL3413541)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation counting method
50016417	1	ChEMBL_306600 (CHEMBL832204)	Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells
50045612	18	ChEMBL_1468594 (CHEMBL3413540)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method
50016419	8	ChEMBL_304619 (CHEMBL828505)	Inhibitory concentration against MMP-2
50045612	19	ChEMBL_1468784 (CHEMBL3414323)	Antagonist activity against human recombinant alpha1 receptor expressed in CHOK1 cells assessed as reduction in epinephrine-induced increase in intracellular Ca2+ levels
50045612	20	ChEMBL_1468783 (CHEMBL3414322)	Antagonist activity against human recombinant dopmaine D3 receptor expressed in CHOK1 cells assessed as reduction in dopamine-induced cAMP levels
50045612	21	ChEMBL_1468782 (CHEMBL3414321)	Agonist activity at human recombinant dopmaine D3 receptor expressed in CHOK1 cells assessed as effect on cAMP levels
50045612	22	ChEMBL_1468781 (CHEMBL3414320)	Antagonist activity against human recombinant dopmaine D2L receptor expressed in CHOK1 cells assessed as reduction in apomorphine-induced increase in intracellular Ca2+ levels by aequorin based radiometric and luminescence plate counting method
50045612	23	ChEMBL_1468780 (CHEMBL3414319)	Agonist activity at human recombinant dopmaine D2L receptor expressed in CHOK1 cells assessed as intracellular Ca2+ levels by aequorin based radiometric and luminescence plate counting method
50045612	24	ChEMBL_1468779 (CHEMBL3414318)	Antagonist activity against human recombinant 5-HT1A receptor expressed in CHOK1 cells assessed as reduction in serotonin-induced increase in intracellular Ca2+ levels by aequorin based radiometric and luminescence plate counting method
50016419	3	ChEMBL_304621 (CHEMBL828507)	Inhibitory concentration against MMP-3
50045612	25	ChEMBL_1468778 (CHEMBL3414317)	Antagonist activity against human recombinant 5-HT2A receptor expressed in CHOK1 cells assessed as reduction in alpha-methylserotonin-induced increase in intracellular Ca2+ levels by aequorin based radiometric and luminescence plate counting method
50045612	26	ChEMBL_1468777 (CHEMBL3414316)	Antagonist activity against human recombinant 5-HT6 receptor expressed in CHOK1 cells assessed as reduction in serotonin-induced increase in intracellular Ca2+ levels by aequorin based radiometric and luminescence plate counting method
50045612	27	ChEMBL_1468619 (CHEMBL3413565)	Displacement of [3H]imipramine from human SERT expressed in CHO cells
50045612	28	ChEMBL_1468618 (CHEMBL3413564)	Displacement of [3H]pirenzepine from human muscarinic M1 receptor expressed in CHO cells
50016419	5	ChEMBL_304624 (CHEMBL828509)	Inhibitory concentration against MMP-8
50045613	1	ChEMBL_1468793 (CHEMBL3411803)	Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry
50045614	1	ChEMBL_1468794 (CHEMBL3411804)	Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay
50016419	2	ChEMBL_311844 (CHEMBL834285)	Inhibitory concentration against TNF-alpha release in LPS treated whole blood
50016421	1	ChEMBL_305014 (CHEMBL829449)	Inhibitory concentration against human prostaglandin E2 synthase (mPGES-1)
50016421	4	ChEMBL_304710 (CHEMBL876474)	In vitro inhibition against recombinant human mPGES-2
50016421	2	ChEMBL_304728 (CHEMBL829329)	In vitro inhibition against human Thromboxane synthase
50016421	3	ChEMBL_304998 (CHEMBL829434)	In vitro binding affinity against FLAP (5-Lipoxygenase activation protein)
50016422	1	ChEMBL_302713 (CHEMBL839584)	Inhibitory constant towards Human melanin-concentrating hormone receptor
50016426	1	ChEMBL_304566 (CHEMBL877123)	Inhibitory concentration against MSK-1
50016426	2	ChEMBL_304643 (CHEMBL828526)	Inhibitory concentration against selected kinase p70S6K
50016426	3	ChEMBL_304705 (CHEMBL828004)	Inhibitory concentration against selected kinase DYRK1-alpha
50016426	4	ChEMBL_304615 (CHEMBL828501)	Inhibitory concentration against selected kinase ROCK1
50016426	5	ChEMBL_304606 (CHEMBL828493)	Inhibitory concentration against selected kinase CDK2
50016436	2	ChEMBL_303287 (CHEMBL828280)	Inhibition of [3H]KA binding to iontropic glutamate receptor 6
50016436	1	ChEMBL_303286 (CHEMBL828279)	Inhibition of [3H]-KA binding to iontropic glutamate receptor 5
50016436	4	ChEMBL_303716 (CHEMBL829051)	Inhibition of [3H]-AMPA binding to human GluR2 receptors expressed in HEK 293 cells
50045615	1	ChEMBL_1468801 (CHEMBL3411811)	Displacement of [3H]-SAM from recombinant His6-tagged CARM1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4(1 to 20)-BTN peptide addition measured after 8 mins by scintillation proximity assay
50045615	2	ChEMBL_1468800 (CHEMBL3411810)	Displacement of [3H]-SAM from recombinant His6-tagged PRMT8 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4(1 to 20)-BTN peptide addition measured after 8 mins by scintillation proximity assay
50016436	6	ChEMBL_303327 (CHEMBL840052)	Inhibition of [3H]AMPA binding to human Ionotropic glutamate receptor 2
50045615	3	ChEMBL_1468799 (CHEMBL3411809)	Displacement of [3H]-SAM from recombinant His6-tagged PRMT5 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4(1 to 20)-BTN peptide addition measured after 8 mins by scintillation proximity assay
50045615	4	ChEMBL_1468798 (CHEMBL3411808)	Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4(1 to 20)-BTN peptide addition measured after 8 mins by scintillation proximity assay
50016439	2	ChEMBL_302416 (CHEMBL828820)	Inhibitory concentration for human Monoamine oxidase B
50016439	1	ChEMBL_302385 (CHEMBL830352)	Inhibitory concentration for rat Monoamine oxidase A
50016442	5	ChEMBL_302738 (CHEMBL838685)	Binding affinity towards alpha-Mannosidase isolated from Jack bean
50016442	3	ChEMBL_305169 (CHEMBL832759)	Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean
50016442	2	ChEMBL_302683 (CHEMBL839445)	Binding affinity towards alpha-Mannosidase isolated from Almond
50016442	4	ChEMBL_305047 (CHEMBL831685)	Inhibition of alpha-Mannosidase isolated from almond
50016442	6	ChEMBL_302735 (CHEMBL838682)	Binding affinity against alpha-Mannosidase isolated from Jack bean
50016442	1	ChEMBL_300011 (CHEMBL852059)	Inhibition of alpha-Mannosidase isolated from Jack bean
50016442	7	ChEMBL_300005 (CHEMBL852054)	Binding affinity towards alpha-Mannosidase isolated from Almond
50016443	1	ChEMBL_303776 (CHEMBL830133)	In vitro inhibition of [3H]citalopram binding to human serotonin transporter expressed in human HEK293 cells
50016443	2	ChEMBL_303756 (CHEMBL829799)	In vitro inhibition of [3H]WIN-35428 binding to human dopamine transporter expressed in canine kidney cells
50016443	3	ChEMBL_303772 (CHEMBL830129)	In vitro inhibition of [3H]nisoxetine binding to norepinephrine transporter expressed in human kidney cells
50045616	1	ChEMBL_1468957 (CHEMBL3412614)	Inhibition of IR (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolved fluorescence assay
50045616	2	ChEMBL_1468956 (CHEMBL3412613)	Inhibition of IGF1R (unknown origin) using poly-G1 as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by time-resolved fluorescence assay
50016450	3	ChEMBL_305494 (CHEMBL831097)	Inhibitory concentration against selectin P in Biacore assay
50016454	3	ChEMBL_302506 (CHEMBL875212)	Inhibitory concentration against the human Cathepsin D
50016454	1	ChEMBL_302894 (CHEMBL830210)	Inhibitory concentration against the plasmepsin-2 of Plasmodium falciparum
50016454	2	ChEMBL_302875 (CHEMBL828789)	Inhibitory concentration against the plasmepsin-1 of Plasmodium falciparum
50045617	1	ChEMBL_1468973 (CHEMBL3412630)	Displacement of [3H]DAMGO from rat cortex mu opioid receptor after 30 mins by liquid scintillation counting analysis
50045617	2	ChEMBL_1468975 (CHEMBL3412632)	Displacement of [3H]U69,593 from guinea pig cortex/cerebella kappa opioid receptor after 2 hrs by liquid scintillation counting analysis
50045617	3	ChEMBL_1469115 (CHEMBL3413221)	Agonist activity at delta opioid receptor (unknown origin) expressed in CHO cells assessed as change in cell morphology measured over 30 mins by label free binding assay
50045617	4	ChEMBL_1468974 (CHEMBL3412631)	Displacement of [3H]DPDPE from rat cortex delta opioid receptor after 2.5 hrs by liquid scintillation counting analysis
50045618	1	ChEMBL_1469141 (CHEMBL3413400)	Agonist activity at human ERalpha expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene transfection assay
50045618	2	ChEMBL_1469143 (CHEMBL3413402)	Agonist activity at human ERbeta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene transfection assay
50045618	3	ChEMBL_1469147 (CHEMBL3413406)	Agonist activity at human ERalpha in human MCF7 cells assessed as progesterone receptor endogenous genes activation after 24 hrs by qPCR
50045618	4	ChEMBL_1469149 (CHEMBL3413408)	Agonist activity at human ERbeta in human MCF7 cells assessed as otubain 2 endogenous genes activation after 24 hrs by qPCR
50045619	1	ChEMBL_1469305 (CHEMBL3414202)	Inhibition of PAD4 in C57BL/6 mouse bone marrow neutrophils assessed as inhibition of PMA-stimulated neutrophil extracellular trap formation preincubated for 30 mins followed by PMA stimulation measured after 3 to 4 hrs by DNA/neutrophil elastase overlap assay
50045620	1	ChEMBL_1469310 (CHEMBL3414207)	Inhibition of BRD4(1) (unknown origin) incubated for 4 hrs by (+)-JQ1 fluorescent ligand based fluorescence anisotrophy
50016456	4	ChEMBL_304467 (CHEMBL832683)	Agonist response against human PPAR alpha in transactivation assay
50016456	3	ChEMBL_306189 (CHEMBL830983)	In vitro binding affinity for human PPAR alpha
50016456	1	ChEMBL_306190 (CHEMBL830984)	In vitro binding affinity for human PPAR gamma
50016456	2	ChEMBL_304468 (CHEMBL832684)	Agonist response against human PPAR gamma in transactivation assay
50016458	3	ChEMBL_303087 (CHEMBL828759)	Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]5-HT radioligand 
50016458	2	ChEMBL_303106 (CHEMBL829616)	Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]DOI radioligand 
50045620	2	ChEMBL_1469307 (CHEMBL3414204)	Inhibition of BRD2 (unknown origin) by fluorescence anisotrophy
50016458	1	ChEMBL_303086 (CHEMBL828758)	Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]5-HT radioligand 
50045620	3	ChEMBL_1469308 (CHEMBL3414205)	Inhibition of BRD3 (unknown origin) by fluorescence anisotrophy
50045620	4	ChEMBL_1469309 (CHEMBL3414206)	Inhibition of BRD4 (unknown origin) by fluorescence anisotrophy
50016459	1	ChEMBL_306246 (CHEMBL831156)	Inhibitory concentration against Cholesterol ester transfer protein (CETP) in CETP fluorescence assay
50016461	1	ChEMBL_302654 (CHEMBL839943)	In vitro ability to displace [3H]SCH-58261 from A2A adenosine receptor in Rat
50016462	1	ChEMBL_306364 (CHEMBL828241)	Progesterone receptor agonist activity in human T47D breast carcinoma cell alkaline phosphatase assay
50016466	1	ChEMBL_303523 (CHEMBL839637)	Ability to displace [125I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells
50045621	1	ChEMBL_1469541 (CHEMBL3412489)	Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay
50016471	19	ChEMBL_310828 (CHEMBL825020)	Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells)
50016471	5	ChEMBL_306831 (CHEMBL831022)	Inhibition concentration (binding affinity) against human melanocortin receptor 2 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016471	3	ChEMBL_306820 (CHEMBL831011)	Inhibition concentration (binding affinity) against rat melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors expressed in CHO cells
50045621	2	ChEMBL_1469542 (CHEMBL3412490)	Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incubated for 30 mins prior to L-AP4 induction by Fluo-4 AM staining-based fluorescence assay
50016471	15	ChEMBL_306819 (CHEMBL831010)	Inhibition concentration (binding affinity) against dog melanocortin receptor 4 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016471	4	ChEMBL_306830 (CHEMBL831021)	Inhibition concentration (binding affinity) against human melanocortin receptor 1 by displacement of [125I]NDP-alpha-MSH from the human receptors expressed in CHO cells
50016473	1	ChEMBL_306580 (CHEMBL874569)	Inhibitory concentration against Plasminogen activator inhibitor-1 by antibody assay
50045621	3	ChEMBL_1469544 (CHEMBL3412492)	Inhibition of human ERG channel
50045622	1	ChEMBL_1469786 (CHEMBL3413637)	Inhibition of human recombinant myostatin pre-incubated with compound for 1 hr before addition to human HepG2 cells assessed as reduction in myostatin-mediated downstream transcriptional response by myostatin-responsive (CAGA)12-luciferase reporter gene assay
50045622	2	ChEMBL_1469791 (CHEMBL3413642)	Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay
50045623	1	ChEMBL_1469796 (CHEMBL3413790)	Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay
50045623	2	ChEMBL_1469797 (CHEMBL3413791)	Inhibition of Pank3 (unknown origin) by Kinase Glo HTS assay
50045623	3	ChEMBL_1469804 (CHEMBL3413798)	Activation of Pank3 (unknown origin) by Kinase Glo HTS assay
50045623	4	ChEMBL_1469793 (CHEMBL3413787)	Inhibition of purified human Pank1beta using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay
50045623	5	ChEMBL_1469794 (CHEMBL3413788)	Inhibition of purified human Pank2 using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay
50045623	6	ChEMBL_1469795 (CHEMBL3413789)	Inhibition of purified human Pank3 using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay
50045624	1	ChEMBL_1470027 (CHEMBL3412013)	Binding affinity to Leishmania major pteridine reductase 1
50045624	2	ChEMBL_1470026 (CHEMBL3412012)	Binding affinity to Leishmania major DHFR
50045625	1	ChEMBL_1470241 (CHEMBL3413103)	Inhibition of human DHODH using dihydroorotate substrate by DCIP assay
50016476	5	ChEMBL_306539 (CHEMBL827828)	Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc
50016476	4	ChEMBL_306559 (CHEMBL829134)	Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc
50016476	3	ChEMBL_306593 (CHEMBL832940)	Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc
50016476	1	ChEMBL_306560 (CHEMBL829135)	Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc
50016476	2	ChEMBL_306540 (CHEMBL827829)	Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc
50016477	1	ChEMBL_303113 (CHEMBL829622)	Binding affinity for human corticotropin releasing factor receptor 1
50046811	3	ChEMBL_1527417 (CHEMBL3636792)	Inhibition of LCK (unknown origin) after 120 mins by HotSpot assay
50016482	1	ChEMBL_303749 (CHEMBL829792)	Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells
50016486	1	ChEMBL_305015 (CHEMBL829450)	Inhibitory concentration against p38 alpha MAP kinase (Experimental value)
50016486	3	ChEMBL_306036 (CHEMBL832993)	Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -18.6kcal/mol 
50016486	2	ChEMBL_306018 (CHEMBL833533)	Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-12.4 kcal/mol
50016486	4	ChEMBL_306037 (CHEMBL832994)	Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -22.2kcal/mol 
50045626	1	ChEMBL_1467056 (CHEMBL3411253)	Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay
50045627	1	ChEMBL_1467067 (CHEMBL3411264)	Inhibition of recombinant human carbonic anhydrase 1 by CO2 hydration assay
50045627	2	ChEMBL_1467068 (CHEMBL3411265)	Inhibition of recombinant human carbonic anhydrase 2 by CO2 hydration assay
50045628	1	ChEMBL_1467261 (CHEMBL3411458)	Binding affinity to human N-terminal His-tagged cIAP1 BIR2-3 C202A/C213G mutant after 60 mins by HTRF assay
50045629	1	ChEMBL_1467490 (CHEMBL3411113)	Inhibition of alpha-glucosidase (unknown origin) using pNPG substrate incubated for 15 mins by microplate reader based method
50045630	1	ChEMBL_1467725 (CHEMBL3411162)	Induction of calcium release in human FPR2 receptor-expressed HEK cell by cytosolic-free calcium assay
50045630	2	ChEMBL_1467726 (CHEMBL3411163)	Induction of calcium release in mouse FPR2 receptor-expressed HEK cell by cytosolic-free calcium assay
50045630	3	ChEMBL_1467715 (CHEMBL3411152)	Binding affinity to mouse FPR2 receptor
50045630	4	ChEMBL_1467714 (CHEMBL3411151)	Binding affinity to human FPR2 receptor
50045630	5	ChEMBL_1467713 (CHEMBL3411150)	Binding affinity to human FPR1 receptor
50045631	1	ChEMBL_1467751 (CHEMBL3412177)	Inhibition of GCN2 in amino acid starved human HT1080 cells assessed as inhibition of CHoP mRNA expression preincubated for 1 hr followed by 2 hrs incubation in DMEM lacking arginine, leucine, lysine by bDNA assay
50016491	3	ChEMBL_311781 (CHEMBL826403)	Inhibitory concentration required against Escherichia coli MetAP1 (150 nM)
50016491	1	ChEMBL_311969 (CHEMBL834386)	Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 nM) 
50016491	2	ChEMBL_311942 (CHEMBL833409)	Inhibitory concentration required against Saccharomyces cerevisiae MetAP1 (330 nM)
50045631	2	ChEMBL_1467752 (CHEMBL3412178)	Inhibition of B-Raf in human MIAPaCa2 cells assessed as inhibition of MAPK signaling by immunoblot analysis
50045631	3	ChEMBL_1467740 (CHEMBL3412166)	Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as substrate by LanthaScreen TR-FRET assay
50016493	2	ChEMBL_305912 (CHEMBL832627)	Inhibitory concentration against EGFR by using [gamma-33P]-ATP as radioligand in pH 7.5
50016493	1	ChEMBL_306477 (CHEMBL829555)	Inhibitory concentration against ErbB-2 protein tyrosine kinase by using [gamma-33P]-ATP as radioligand in pH 7.5
50045631	4	ChEMBL_1467741 (CHEMBL3412167)	Inhibition of human C-terminal His-tagged GCN2 expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as substrate by LanthaScreen TR-FRET assay
50016495	1	ChEMBL_302361 (CHEMBL828080)	Antagonist activity towards rat TRPV1 expressed in CHO cells
50016495	2	ChEMBL_302712 (CHEMBL876782)	In vitro inhibition of [3H]RTX binding to rat TRPV1 expressed in CHO cells
50016496	1	ChEMBL_306592 (CHEMBL832939)	Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr
50016496	2	ChEMBL_306604 (CHEMBL833494)	Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 20 hr
50016498	1	ChEMBL_302892 (CHEMBL830208)	In vitro inhibitory activity towards human cannabinoid receptors 2 using fluorescence assay
50016502	4	ChEMBL_305580 (CHEMBL828028)	In vitro inhibitory concentration against phospholipase A2 of Echis carinatus venom
50016502	1	ChEMBL_305905 (CHEMBL832620)	In vitro inhibitory concentration against phospholipase A2 of Trimeresurus flavoviridis venom
50016502	2	ChEMBL_305607 (CHEMBL828145)	In vitro inhibitory concentration against phospholipase A2 of Naja melanoleuca venom
50016503	1	ChEMBL_306541 (CHEMBL827830)	Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin K by fluorescence assay
50045631	5	ChEMBL_1467742 (CHEMBL3412168)	Inhibition of IRE-1 (unknown origin)
50045631	6	ChEMBL_1467743 (CHEMBL3412169)	Inhibition of PKR (unknown origin)
50045631	7	ChEMBL_1467744 (CHEMBL3412170)	Inhibition of HRI (unknown origin)
50045631	8	ChEMBL_1467745 (CHEMBL3412171)	Inhibition of recombinant BRAF V600E kinase domain mutant (unknown origin)
50016507	1	ChEMBL_305983 (CHEMBL832148)	Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes
50045631	9	ChEMBL_1467746 (CHEMBL3412172)	Inhibition of doxycycline-inducible T-REx-PERK-FLAG (unknown origin) autophosphorylation tranfected in human HT1080 cells after 1 hr by sandwich ELISA
50045631	10	ChEMBL_1467747 (CHEMBL3412173)	Inhibition of BRAF V600E mutant (unknown origin) transfected in human A375 cells assessed as inhibition of ERK phosphorylation by Western blot analysis
50045631	11	ChEMBL_1467748 (CHEMBL3412174)	Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoalanine into protein preincubated for 1 hr followed by thapsigargin induction measured over 30 mins by AlexaFluor 488 alkyne dye-based HCS assay
50016508	1	ChEMBL_305496 (CHEMBL877006)	In vitro inhibition activity against cyclooxygenase 2 with the compound dissolved in DMSO
50016509	1	ChEMBL_302466 (CHEMBL826332)	Binding affinity against Human bradykinin receptor B1
50016510	1	ChEMBL_302364 (CHEMBL828083)	Binding affinity against human 5-hydroxytryptamine 2c receptor
50016510	2	ChEMBL_302285 (CHEMBL830303)	Binding affinity against human Dopamine receptor D2
50016510	5	ChEMBL_302343 (CHEMBL828927)	Binding affinity against rat 5-hydroxytryptamine 2A receptor
50016510	3	ChEMBL_302363 (CHEMBL828082)	Binding affinity against human 5-hydroxytryptamine 2A receptor
50016510	4	ChEMBL_302272 (CHEMBL875187)	Binding affinity against human IKr channel
50045631	12	ChEMBL_1467749 (CHEMBL3412175)	Inhibition of PERK in human HT1080 cells assessed as inhibition of thapsigargin-induced CHoP mRNA expression preincubated for 1 hr followed by thapsigargin-induction measured after 2 hrs by bDNA assay
50045631	13	ChEMBL_1467750 (CHEMBL3412176)	Inhibition of GCN2 phosphorylation in human U2OS cells preincubated for 1 hr followed by drug wash out and incubated for 2 hrs by MSD assay
50045632	1	ChEMBL_1467949 (CHEMBL3413306)	Inhibition of mouse KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis
50045632	2	ChEMBL_1467950 (CHEMBL3413307)	Inhibition of rat KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis
50045632	3	ChEMBL_1467951 (CHEMBL3413308)	Inhibition of KMO in human PBMC
50045632	4	ChEMBL_1467952 (CHEMBL3413309)	Inhibition of KMO in rat microglia cells
50045632	5	ChEMBL_1467938 (CHEMBL3413142)	Inhibition of human KMO assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis
50045632	6	ChEMBL_1468212 (CHEMBL3414281)	Inhibition of mouse KMO
50045632	7	ChEMBL_1468213 (CHEMBL3414282)	Inhibition of rat KMO
50045632	8	ChEMBL_1468214 (CHEMBL3414283)	Inhibition of KMO (unknown origin)
50016517	12	ChEMBL_305210 (CHEMBL832463)	Inhibition of Epidermal growth factor receptor 1
50016517	3	ChEMBL_305535 (CHEMBL828555)	Inhibition of vascular endothelial growth factor receptor 2
50016517	14	ChEMBL_305069 (CHEMBL832701)	Inhibition of cyclin dependent kinase (CDK1)
50016517	13	ChEMBL_304608 (CHEMBL828495)	Inhibition of PKB beta
50016517	10	ChEMBL_305211 (CHEMBL832464)	Inhibition of Fibroblast growth factor receptor 2
50016517	20	ChEMBL_304845 (CHEMBL827932)	Inhibition of cyclin dependent kinase CDK1
50016517	17	ChEMBL_305209 (CHEMBL832462)	Inhibition of Cyclin-dependent kinase 1-cyclin B
50016517	4	ChEMBL_304592 (CHEMBL828482)	Inhibition of ERK 2
50045632	9	ChEMBL_1467939 (CHEMBL3413143)	Inhibition of human KMO transfected in CHO cells assessed as conversion of kynurenine to 3-hydroxykynurenine by LC-MS/MS analysis
50016519	2	ChEMBL_303211 (CHEMBL829836)	Inhibition of [3H]CP-55940 binding to cannabinoid receptor 2 of mouse spleen membranes
50016519	1	ChEMBL_302959 (CHEMBL828804)	Inhibition of [3H]CP-55940 binding to cannabinoid receptor 1 of rat brain
50016520	1	ChEMBL_302209 (CHEMBL826982)	Dissociation constant for ERK2 kinase
50045633	1	ChEMBL_1468440 (CHEMBL3412604)	Inhibition of human recombinant His-tagged HPPD expressed in Escherichia coli BL21(DE3) by UV/visible plate reader analysis
50045634	1	ChEMBL_1468448 (CHEMBL3412776)	Binding affinity to HIV1 gp41 (46 residues) by surface plasmon resonance method
50045635	1	ChEMBL_1468651 (CHEMBL3413731)	Inhibition of CHK1 (unknown origin) using FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide substrate incubated for 1 hr by caliper microfluidic assay
50045635	2	ChEMBL_1468656 (CHEMBL3413736)	Inhibition of human ERG assessed as reduction in channel current expressed in HEK cells by patch clamp assay
50045636	1	ChEMBL_1469012 (CHEMBL3412828)	Inhibition of MAO-A (unknown origin)
50045636	2	ChEMBL_1469013 (CHEMBL3412829)	Inhibition of dopamine D1 receptor (unknown origin)
50045636	3	ChEMBL_1469014 (CHEMBL3412830)	Inhibition of glucocorticoid receptor (unknown origin)
50045636	4	ChEMBL_1469015 (CHEMBL3412831)	Inhibition of COX2 (unknown origin)
50045636	5	ChEMBL_1469016 (CHEMBL3412832)	Inhibition of cathepsin G (unknown origin)
50045636	6	ChEMBL_1469017 (CHEMBL3412833)	Inhibition of 5-LO (unknown origin)
50045636	7	ChEMBL_1469019 (CHEMBL3412835)	Inhibition of alpha2A adrenergic receptor (unknown origin)
50045636	8	ChEMBL_1469020 (CHEMBL3412836)	Inhibition of human ERG channel
50045636	9	ChEMBL_1469022 (CHEMBL3412838)	Inhibition of serotonin 5-HT2A receptor (unknown origin)
50045637	1	ChEMBL_1469042 (CHEMBL3412858)	Displacement of [3H]DAMGO from human recombinant opioid mu receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50045637	2	ChEMBL_1469044 (CHEMBL3413014)	Displacement of [3H]DADLE from human recombinant opioid delta receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50045637	3	ChEMBL_1469045 (CHEMBL3413015)	Displacement of [3H]U69,593 from human recombinant opioid kappa receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50016529	3	ChEMBL_303238 (CHEMBL827203)	Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells
50016529	14	ChEMBL_303332 (CHEMBL840056)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells
50016529	8	ChEMBL_303635 (CHEMBL828845)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 19 to 26 nM
50016529	12	ChEMBL_303333 (CHEMBL840057)	Inhibition of [3H]-ZM 241385 binding to human adenosine A2a receptor expressed in CHO cells
50016529	16	ChEMBL_303663 (CHEMBL830424)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 134 to 297 nM
50016529	9	ChEMBL_303617 (CHEMBL828872)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 77 to 129
50016529	15	ChEMBL_303664 (CHEMBL830425)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 2.7 to 4.4 nM
50016529	13	ChEMBL_303665 (CHEMBL830426)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 467 to 660 nM
50016529	18	ChEMBL_312875 (CHEMBL874953)	Inhibition of 100 nM NECA-stimulated cAMP production in CHO cells expressing human adenosine A2B receptor
50016529	6	ChEMBL_303637 (CHEMBL828847)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 53 to 69 nM
50016529	10	ChEMBL_303509 (CHEMBL839981)	Inhibition of [3H]DPCPX binding to human A1 receptors expressed in CHO cells; range is 424 to 498
50016529	11	ChEMBL_303636 (CHEMBL828846)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 31 to 43 nM
50016529	1	ChEMBL_303508 (CHEMBL839980)	Inhibition of [3H]DPCPX binding to human A1 receptors expressed in CHO cells; range is 299 to 411
50016529	5	ChEMBL_303648 (CHEMBL828996)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 28 to 104 nM
50016529	17	ChEMBL_303662 (CHEMBL830423)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 0.6 to 0.9 nM
50016529	4	ChEMBL_303598 (CHEMBL829687)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 9 to 27
50016529	2	ChEMBL_303609 (CHEMBL829698)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 25 to 38
50016529	7	ChEMBL_303634 (CHEMBL828844)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; range is 18 to 29 nM
50016532	2	ChEMBL_302342 (CHEMBL828926)	Binding affinity against Human 5-HT7R expressed in sf9 cells
50016532	1	ChEMBL_302365 (CHEMBL875198)	Binding affinity against rat 5-HT7R expressed in HEK293 cells
50016532	3	ChEMBL_302277 (CHEMBL830296)	Binding affinity against rat 5-HT1A receptor
50045638	1	ChEMBL_1469197 (CHEMBL3413753)	Binding affinity to human CB1 receptor
50045638	2	ChEMBL_1469192 (CHEMBL3413748)	Displacement of [3H]-CP-55940 from human CB2 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis
50045638	3	ChEMBL_1469191 (CHEMBL3413747)	Displacement of [3H]-CP-55940 from human CB1 receptor transfected in CHOK1 cells after 90 mins by liquid scintillation counting analysis
50045638	4	ChEMBL_1469198 (CHEMBL3413754)	Binding affinity to human CB2 receptor
50045639	1	ChEMBL_1469594 (CHEMBL3412689)	Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50045639	2	ChEMBL_1469596 (CHEMBL3412691)	Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50045639	3	ChEMBL_1469597 (CHEMBL3412692)	Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50016536	6	ChEMBL_306214 (CHEMBL831123)	Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate
50016536	2	ChEMBL_305120 (CHEMBL831588)	Inhibition of Matrix metalloprotease-3
50045639	4	ChEMBL_1469605 (CHEMBL3412862)	Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribonucleotide incubated for 1 hr followed by [U-14C]-glycine addition measured after 16 hrs
50016536	5	ChEMBL_305118 (CHEMBL831586)	Inhibition of Matrix metalloprotease-1
50016536	7	ChEMBL_305019 (CHEMBL829453)	Inhibition of Matrix metalloprotease-13
50016536	8	ChEMBL_305121 (CHEMBL831589)	Inhibition of Matrix metalloprotease-8
50016536	4	ChEMBL_305159 (CHEMBL832750)	Inhibition of Matrix metalloprotease-13
50016536	3	ChEMBL_305119 (CHEMBL831587)	Inhibition of Matrix metalloprotease-2
50016536	1	ChEMBL_306214 (CHEMBL831123)	Inhibition of Matrix metalloproteinase-12 in pressence of 5 nM acetohydroximate
50016540	2	ChEMBL_302711 (CHEMBL839583)	In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX
50016540	1	ChEMBL_302360 (CHEMBL828079)	Antagonist activity for rat TRPV1 expressed in CHO cells
50016541	11	ChEMBL_304158 (CHEMBL829997)	Effective concentration against rat alpha-7 nicotinic acetylcholine receptor
50016541	6	ChEMBL_303459 (CHEMBL839719)	Inhibition of [3H]nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane
50016541	8	ChEMBL_303326 (CHEMBL840051)	Inhibition of [3H]-MLA binding to alpha-7 nicotinic acetylcholine receptor of rat brain membrane
50016541	4	ChEMBL_303228 (CHEMBL827193)	Inhibition of [3H]nicotine binding to rat alpha4-beta2 nicotinic acetylcholine receptor
50016541	3	ChEMBL_304171 (CHEMBL829168)	Effective concentration against rat alpha3-beta4 nicotinic acetylcholine receptor
50016541	1	ChEMBL_304161 (CHEMBL877116)	Effective concentration against rat alpha7 nicotinic acetylcholine receptor
50016541	5	ChEMBL_304172 (CHEMBL877117)	Effective concentration against rat alpha4-beta2 nicotinic acetylcholine receptor
50016541	2	ChEMBL_303479 (CHEMBL838853)	Inhibition of [3H]nicotine binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane
50016541	7	ChEMBL_303011 (CHEMBL830250)	Inhibition of [3H]-MLA binding to rat alpha-7 nicotinic acetylcholine receptor
50016541	10	ChEMBL_303210 (CHEMBL829835)	Inhibition of [3H]MLA binding to rat alpha7 nicotinic acetylcholine receptor
50016541	9	ChEMBL_303385 (CHEMBL839702)	Inhibition of [3H]MLA binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membrane
50016544	2	ChEMBL_304620 (CHEMBL828506)	Inhibitory concentration against MMP-2
50016544	5	ChEMBL_305658 (CHEMBL829516)	Inhibitory concentration against MMP-13 of bovine articular cartilage explants
50045640	1	ChEMBL_1469607 (CHEMBL3412864)	Inhibition of rat nNOS
50016544	7	ChEMBL_304618 (CHEMBL828504)	Inhibitory concentration against MMP-1
50045641	1	ChEMBL_1469618 (CHEMBL3412875)	Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis
50016544	6	ChEMBL_310125 (CHEMBL838107)	Inhibitory concentration against MMP-7
50016546	1	ChEMBL_304368 (CHEMBL829010)	Effective concentration for stimulation of [35S]GTP-gamma-S, binding to human metabotropic glutamate receptor 2 incubated at 30 degree C for 1 hr
50016546	2	ChEMBL_304412 (CHEMBL831817)	Effective concentration for stimulation of [35S]GTP-gamma-S, binding to human metabotropic glutamate receptor 2 expressed in HEK293 cells done for 1 hr at 30 degree C
50016547	3	ChEMBL_302852 (CHEMBL828768)	Binding affinity to displace [3H]CP-55940 from CB1 receptor of rat brain
50016547	1	ChEMBL_302853 (CHEMBL828769)	Binding affinity to displace [3H]CP-55940 from cloned human CB2 receptor
50016547	2	ChEMBL_310455 (CHEMBL834400)	Effective concentration for stimulation of [35S]GTP-gamma-S binding at CB1 receptor in presence of 10 uM WIN-55212-2
50016547	4	ChEMBL_310415 (CHEMBL834042)	Effective concentration for stimulation of [35S]GTP-gamma-S, binding at CB2 receptor in presence of 3 uM CP-55940
50016548	2	ChEMBL_304984 (CHEMBL829421)	Inhibitory concentration against EcMetAP1 enzyme activity
50016548	1	ChEMBL_304990 (CHEMBL828603)	Inhibitory concentration against ScMetAP1 enzyme activity
50016549	3	ChEMBL_303115 (CHEMBL829624)	Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]Tyr13]-MCH
50016549	2	ChEMBL_302718 (CHEMBL839589)	Inhibitory concentration against human MCH-R1 by GTPgammaS assay
50016549	1	ChEMBL_302779 (CHEMBL838841)	Inhibitory concentration against human MCH-R1-stimulated [Ca2+] influx
50016549	4	ChEMBL_305366 (CHEMBL832882)	Inhibitory concentration against human MCH-R1-stimulated [Ca2+] influx
50016550	8	ChEMBL_310493 (CHEMBL834067)	Effective concentration at human melanocortin 4 receptor in cAMP release assay
50045642	1	ChEMBL_1469629 (CHEMBL3412886)	Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay
50016550	2	ChEMBL_306330 (CHEMBL828674)	Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor expressed in CHO cells
50045642	2	ChEMBL_1469860 (CHEMBL3413971)	Inhibition of human ERG
50045642	3	ChEMBL_1469854 (CHEMBL3413965)	Inhibition of CYP3A4 (unknown origin)
50045642	4	ChEMBL_1469853 (CHEMBL3413964)	Inhibition of CYP2D6 (unknown origin)
50045642	5	ChEMBL_1469852 (CHEMBL3413963)	Inhibition of CYP2C19 (unknown origin)
50045642	6	ChEMBL_1469851 (CHEMBL3413962)	Inhibition of CYP2C9 (unknown origin)
50045642	7	ChEMBL_1469850 (CHEMBL3413961)	Inhibition of CYP1A2 (unknown origin)
50045643	1	ChEMBL_1467097 (CHEMBL3411294)	Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method
50045643	2	ChEMBL_1467094 (CHEMBL3411291)	Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method
50045644	1	ChEMBL_1467102 (CHEMBL3411299)	Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP
50045644	2	ChEMBL_1467118 (CHEMBL3411315)	Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method
50045644	3	ChEMBL_1467101 (CHEMBL3411298)	Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP
50045644	4	ChEMBL_1467100 (CHEMBL3411297)	Inhibition of Limk1 (unknown origin)
50045644	5	ChEMBL_1467104 (CHEMBL3411301)	Inhibition of human ROCK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide substrate, ATP and [gamma33P]ATP
50045644	6	ChEMBL_1467105 (CHEMBL3411302)	Inhibition of human JNK3 using ATF2 substrate, ATP and [gamma33P]ATP
50045645	1	ChEMBL_1467136 (CHEMBL3411333)	Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay
50045645	2	ChEMBL_1467137 (CHEMBL3411334)	Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting
50016553	1	ChEMBL_311661 (CHEMBL840833)	Concentration required to inhibit tubulin polymerization at 10 uM
50016554	1	ChEMBL_320884 (CHEMBL884809)	Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]testosterone
50045646	1	ChEMBL_1467341 (CHEMBL3411578)	Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA after 1 hr using poly(A) x oligo(dT)15 template/primer hybrid, digoxigenin and biotin-labeled nucleotides
50045647	1	ChEMBL_1467358 (CHEMBL3411595)	Inhibition of human FPPS
50045648	1	ChEMBL_1467362 (CHEMBL3411599)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by Top Count analysis
50045648	2	ChEMBL_1467364 (CHEMBL3411601)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity
50045648	3	ChEMBL_1467363 (CHEMBL3411600)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells by Top Count analysis
50045648	4	ChEMBL_1467365 (CHEMBL3411602)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells by Top Count analysis
50045649	1	ChEMBL_1467552 (CHEMBL3411566)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50016556	2	ChEMBL_302876 (CHEMBL828790)	Inhibition of human melanin concentrating hormone receptor 1
50016556	1	ChEMBL_302542 (CHEMBL827393)	Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter
50016557	1	ChEMBL_304850 (CHEMBL828409)	Inhibitory concentration against adenosine deaminase
50045649	2	ChEMBL_1467553 (CHEMBL3411567)	Inhibition of equine serum butylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50045650	1	ChEMBL_1467557 (CHEMBL3411571)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assay
50045651	1	ChEMBL_1467561 (CHEMBL3411612)	Inhibition of PTP1B (unknown origin)
50045651	2	ChEMBL_1467560 (CHEMBL3411611)	Competitive inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate
50045652	1	ChEMBL_1467809 (CHEMBL3412385)	Inhibition of GST-tagged UCHL5 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins by fluorescence assay
50045652	2	ChEMBL_1467810 (CHEMBL3412535)	Inhibition of USP2 catalytic domain (unknown origin) expressed in bacteria using Ub-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins by fluorescence assay
50045652	3	ChEMBL_1467811 (CHEMBL3412536)	Inhibition of recombinant human USP18 (16 to 372 aa) expressed in Sf9 cells using ISG15-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 mins by fluorescence assay
50045653	1	ChEMBL_1468015 (CHEMBL3413521)	Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as substrate
50045653	2	ChEMBL_1468016 (CHEMBL3413522)	Inhibition of recombinant PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate
50045653	3	ChEMBL_1468017 (CHEMBL3413523)	Inhibition of recombinant PI3Kbeta (unknown origin) using biotinylated PIP2 as substrate
50045653	4	ChEMBL_1468018 (CHEMBL3413524)	Inhibition of recombinant PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate
50045653	5	ChEMBL_1468019 (CHEMBL3413525)	Inhibition of recombinant PI3Kgamma (unknown origin) using biotinylated PIP2 as substrate
50045654	1	ChEMBL_1468240 (CHEMBL3411783)	Binding affinity to CB2 receptor (unknown origin)
50045654	2	ChEMBL_1468241 (CHEMBL3411784)	Antagonist activity at CB2 receptor (unknown origin) expressed in CHO cells up to 10 uM incubated for 10 mins prior to CP55940 addition by calcium mobilization assay
50045654	3	ChEMBL_1468235 (CHEMBL3411778)	Agonist activity at CB1 receptor (unknown origin) expressed in CHO cells by calcium mobilization assay
50045654	4	ChEMBL_1468236 (CHEMBL3411779)	Agonist activity at CB2 receptor (unknown origin) expressed in CHO cells by calcium mobilization assay
50016559	7	ChEMBL_304225 (CHEMBL828941)	Stimulation of [35S]GTP-gamma-S, binding to Opioid receptor mu1 expressed in CHO cells
50045654	5	ChEMBL_1468239 (CHEMBL3411782)	Antagonist activity at CB1 receptor (unknown origin) expressed in CHO cells up to 10 uM incubated for 10 mins prior to CP55940 addition by calcium mobilization assay
50016561	2	ChEMBL_306644 (CHEMBL832981)	Inhibitory activity against human Nitric oxide synthase-III with 2 uM H4Bip for 30 min
50016561	1	ChEMBL_306628 (CHEMBL829930)	Inhibitory activity against human Nitric oxide synthase-II with 2 uM H4Bip for 30 min
50016561	3	ChEMBL_306605 (CHEMBL833495)	Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min
50045655	1	ChEMBL_1468250 (CHEMBL3411793)	Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional activity by AR-regulated rat probasin promoter fragment driven firefly luciferase reporter assay
50016564	1	ChEMBL_302233 (CHEMBL827006)	Dissociation constant for human peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
50016565	3	ChEMBL_302179 (CHEMBL830213)	Inhibition constant against human (cloned) isozyme (hCA I) by the CO2 hydration method
50016565	2	ChEMBL_302178 (CHEMBL830081)	Inhibition constant against human (cloned) isozyme (hCA II) by CO2 hydration method
50016565	1	ChEMBL_302177 (CHEMBL830080)	Inhibition constant against human cloned isozyme (hCA IX) by CO2 hydration method
50016566	3	ChEMBL_317593 (CHEMBL825589)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)
50016566	4	ChEMBL_306880 (CHEMBL828686)	Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor
50016566	5	ChEMBL_317592 (CHEMBL825588)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)
50016566	12	ChEMBL_317584 (CHEMBL838082)	Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)
50016566	15	ChEMBL_317589 (CHEMBL825585)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)
50016566	7	ChEMBL_317590 (CHEMBL825586)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R336M)
50016566	6	ChEMBL_317591 (CHEMBL825587)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)
50016566	10	ChEMBL_306156 (CHEMBL832344)	Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 2 receptor
50016566	14	ChEMBL_317586 (CHEMBL825582)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329F)
50016566	8	ChEMBL_306155 (CHEMBL832343)	Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptor
50016566	1	ChEMBL_306877 (CHEMBL828683)	Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R
50016566	11	ChEMBL_317585 (CHEMBL825581)	Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329A)
50016566	16	ChEMBL_317588 (CHEMBL825584)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)
50016566	13	ChEMBL_317587 (CHEMBL825583)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I352A)
50016566	9	ChEMBL_317580 (CHEMBL825244)	Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I352A)
50016566	2	ChEMBL_306879 (CHEMBL828685)	Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 2 receptor
50045655	2	ChEMBL_1468251 (CHEMBL3411794)	Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition
50045656	1	ChEMBL_1468486 (CHEMBL3412980)	Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method
50045656	2	ChEMBL_1468485 (CHEMBL3412979)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method
50045656	3	ChEMBL_1468483 (CHEMBL3412811)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method
50016569	2	ChEMBL_303647 (CHEMBL828995)	Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2
50016569	1	ChEMBL_303633 (CHEMBL828843)	Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2
50016570	3	ChEMBL_303319 (CHEMBL840044)	Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells
50016570	8	ChEMBL_303486 (CHEMBL838860)	Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uM
50016570	1	ChEMBL_303144 (CHEMBL829118)	Percent inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM
50016570	6	ChEMBL_303120 (CHEMBL829629)	Percent inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM
50016570	7	ChEMBL_303121 (CHEMBL829630)	Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM
50016570	5	ChEMBL_302291 (CHEMBL830308)	Binding affinity for human adenosine A1 receptor
50016570	4	ChEMBL_303161 (CHEMBL829973)	Percent inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uM
50045656	4	ChEMBL_1468482 (CHEMBL3412810)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method
50016571	4	ChEMBL_303206 (CHEMBL829832)	Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells
50016571	8	ChEMBL_312380 (CHEMBL836738)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptor
50016571	11	ChEMBL_312537 (CHEMBL832580)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor
50016571	2	ChEMBL_303205 (CHEMBL829831)	Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells
50016571	3	ChEMBL_310398 (CHEMBL834482)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA2 receptor
50016571	6	ChEMBL_310432 (CHEMBL834058)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor
50016571	12	ChEMBL_312535 (CHEMBL832578)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptor
50016571	5	ChEMBL_310431 (CHEMBL834057)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA2 receptor
50016571	7	ChEMBL_310430 (CHEMBL834056)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptor
50045657	1	ChEMBL_1468703 (CHEMBL3414046)	Inhibition of PI3K-alpha kinase (unknown origin) using ULight-4E-BP1 as substrate after 60 mins by luminescence assay
50016571	10	ChEMBL_312536 (CHEMBL832579)	Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA2 receptor
50016571	9	ChEMBL_303184 (CHEMBL829678)	Binding affinity for Lysophosphatidic acid receptor 2 expressed in RH7777 rat hepatoma cells
50045657	2	ChEMBL_1468702 (CHEMBL3414045)	Inhibition of mTOR kinase (unknown origin) using ULight-4E-BP1 as substrate after 1 hr by TR-FRET assay
50046812	1	ChEMBL_1524904 (CHEMBL3637034)	Positive allosteric modulation of mGlu5 in rat astrocytes
50046812	2	ChEMBL_1527423 (CHEMBL3636798)	Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as calcium mobilization
50046812	4	ChEMBL_1527450 (CHEMBL3636981)	Inhibition of CYP2C9 (unknown origin)
50046812	5	ChEMBL_1527451 (CHEMBL3636982)	Inhibition of CYP3A4 (unknown origin)
50046812	6	ChEMBL_1527452 (CHEMBL3636983)	Inhibition of CYP1A2 (unknown origin)
50046812	7	ChEMBL_1527453 (CHEMBL3636984)	Inhibition of CYP2D6 (unknown origin)
50046812	8	ChEMBL_1524891 (CHEMBL3637021)	Positive allosteric modulation of mGlu1 receptor (unknown origin) relative to control
50046812	9	ChEMBL_1524892 (CHEMBL3637022)	Positive allosteric modulation of mGlu2 receptor (unknown origin) relative to control
50016575	4	ChEMBL_306649 (CHEMBL832986)	Inhibition of [3H]WIN-35428 binding to rat brain dopamine transporter
50016575	1	ChEMBL_305498 (CHEMBL831100)	Inhibition of rat brain Serotonin transporter uptake as [3H]5-HT accumulation
50045658	1	ChEMBL_1468710 (CHEMBL3414053)	Inhibition of TNFR1 (unknown origin)
50045659	1	ChEMBL_1468885 (CHEMBL3412242)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay
50045659	2	ChEMBL_1468888 (CHEMBL3412245)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activity by FLIPR assay
50045659	3	ChEMBL_1468887 (CHEMBL3412244)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of heat at 45 degC-induced activity by FLIPR assay
50045659	4	ChEMBL_1468886 (CHEMBL3412243)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of pH-induced activity by FLIPR assay
50016575	6	ChEMBL_305441 (CHEMBL830117)	Inhibition of rat brain Dopamine transporter uptake as [3H]DA accumulation
50045660	1	ChEMBL_1469088 (CHEMBL3413194)	Inhibition of human ERG
50045660	2	ChEMBL_1469227 (CHEMBL3413783)	Inhibition of CYP3A4 (unknown origin)
50045660	3	ChEMBL_1469108 (CHEMBL3413214)	Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay
50045660	4	ChEMBL_1469109 (CHEMBL3413215)	Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay
50045660	5	ChEMBL_1469112 (CHEMBL3413218)	Inhibition of CYP2C9 (unknown origin)
50016575	2	ChEMBL_305586 (CHEMBL828033)	Inhibition of rat brain Norepinephrine transporter as accumulation of [3H]NE
50016575	7	ChEMBL_303198 (CHEMBL829824)	Inhibition of rat brain Norepinephrine transporter as accumulation of [3H]-NE
50045660	6	ChEMBL_1469231 (CHEMBL3413912)	Inhibition of GSK3alpha (unknown origin)
50045660	7	ChEMBL_1469232 (CHEMBL3413913)	Inhibition of GSK3beta (unknown origin)
50045660	8	ChEMBL_1469237 (CHEMBL3413918)	Inhibition of ligand-induced WNT3A signaling in human PA-1 cells harboring TCF preincubated for 6 hrs before ligand addition measured after 24 hrs by luciferase reporter assay
50045661	1	ChEMBL_1469254 (CHEMBL3413935)	Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method
50045662	1	ChEMBL_1469259 (CHEMBL3413940)	Competitive inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate by Lineweaver-Burk plot analysis
50045662	2	ChEMBL_1469257 (CHEMBL3413938)	Inhibition of human KLK7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay
50016575	3	ChEMBL_303119 (CHEMBL829628)	Inhibition of rat brain dopamine transporter as accumulation of [3H]DA
50045663	1	ChEMBL_1469446 (CHEMBL3412104)	Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated for 30 mins followed by substrate addition measured for 1 min
50016575	5	ChEMBL_303160 (CHEMBL829972)	Inhibition of rat brain Serotonin transporter as accumulation of [3H]5-HT
50045664	1	ChEMBL_1469668 (CHEMBL3413067)	Inhibition of bovine brain tubulin polymerization incubated for 20 mins by spectrophotometry
50016579	2	ChEMBL_303585 (CHEMBL828126)	Inhibition of [3H]ZM-241385 binding to human adenosine A2a receptor expressed in CHO cells; (n=3 - 6)
50016579	5	ChEMBL_303560 (CHEMBL828960)	Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells; (n=3 - 6)
50016579	4	ChEMBL_303601 (CHEMBL829690)	Inhibition of [3H]MRE3008-F20 binding to human adenosine A3 receptor expressed in CHO cells; (n=3 - 6)
50016579	3	ChEMBL_306686 (CHEMBL830020)	Inhibition of 100 nM-NECA stimulation of cAMP levels in human adenosine A2b receptor expressing CHO cells
50016579	1	ChEMBL_303507 (CHEMBL839979)	Inhibition of cAMP accumulation in human adenosine A3 receptor assay as inhibition of Cl-IB-MECA
50024698	1	ChEMBL_550664 (CHEMBL1002759)	Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry
50045665	1	ChEMBL_1469710 (CHEMBL3413248)	Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric method
50045665	2	ChEMBL_1469711 (CHEMBL3413249)	Inhibition of bovine brain MAO-B preincubated for 60 mins before substrate addition by fluorimetric method
50045666	1	ChEMBL_1469717 (CHEMBL3413255)	Inhibition of Trypanosoma cruzi cruzaine in absence of 0.01% Triton
50045666	2	ChEMBL_1469716 (CHEMBL3413254)	Inhibition of Trypanosoma cruzi cruzaine in presence of 0.01% Triton
50045667	1	ChEMBL_1467184 (CHEMBL3411381)	Inhibition of PLK4 (unknown origin) by ELISA
50045667	2	ChEMBL_1467192 (CHEMBL3411389)	Inhibition of CYP2C9 (unknown origin) by fluorescence assay
50024708	1	ChEMBL_550722 (CHEMBL1006036)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in insect Sf9 cells
50024708	2	ChEMBL_550723 (CHEMBL1006037)	Binding affinity to human muscarinic M1 receptor expressed in insect Sf9 cells
50024708	3	ChEMBL_550724 (CHEMBL1006038)	Binding affinity to human muscarinic M2 receptor expressed in insect Sf9 cells
50024708	4	ChEMBL_550725 (CHEMBL1006039)	Binding affinity to human muscarinic M4 receptor expressed in insect Sf9 cells
50024708	5	ChEMBL_550726 (CHEMBL1006040)	Binding affinity to human muscarinic M5 receptor expressed in insect Sf9 cells
50024717	1	ChEMBL_550760 (CHEMBL1006074)	Inhibition of xanthine oxidase
50016585	1	ChEMBL_302511 (CHEMBL828226)	Ki for human Neurokinin 2 receptor
50016585	2	ChEMBL_305764 (CHEMBL827101)	Inhibitory concentration for Tachykinin 1 receptor of human IM9 cells 
50016588	2	ChEMBL_305357 (CHEMBL832737)	Inhibitory concentration against human PTP1B expressed in Escherichia coli BL21 cells
50016588	1	ChEMBL_305615 (CHEMBL828153)	Inhibitory concentration against Yersinia pestis YopH expressed in Escherichia coli BL21 cells
50045667	3	ChEMBL_1467193 (CHEMBL3411390)	Inhibition of CYP2C19 (unknown origin) by fluorescence assay
50045667	4	ChEMBL_1467194 (CHEMBL3411391)	Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assay
50045667	5	ChEMBL_1467195 (CHEMBL3411392)	Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assay
50045667	6	ChEMBL_1467388 (CHEMBL3411672)	Inhibition of AURKA (unknown origin) by FRET analysis
50045667	7	ChEMBL_1467390 (CHEMBL3411674)	Inhibition of TIE2 (unknown origin) by FRET analysis
50045667	8	ChEMBL_1467391 (CHEMBL3411675)	Inhibition of TRKA (unknown origin) by FRET analysis
50045667	9	ChEMBL_1467392 (CHEMBL3411676)	Inhibition of TRKB (unknown origin) by FRET analysis
50045667	15	ChEMBL_1467399 (CHEMBL3411683)	Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP
50045668	1	ChEMBL_1467414 (CHEMBL3411698)	Inhibition of rat TSPO
50045668	2	ChEMBL_1467415 (CHEMBL3411699)	Inhibition of human TSPO
50045668	3	ChEMBL_1467413 (CHEMBL3411697)	Inhibition of TSPO (unknown origin)
50045668	4	ChEMBL_1467416 (CHEMBL3411700)	Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method
50045669	1	ChEMBL_1467614 (CHEMBL3411710)	Inhibition of HIV1 reverse transcriptase Lys103Asn mutant-associated DNA polymerase-independent RNase H activity after 1 hr
50045669	2	ChEMBL_1467615 (CHEMBL3411711)	Inhibition of HIV1 reverse transcriptase Lys103Asn mutant-associated RNA-dependent DNA polymerase activity after 30 mins
50045669	3	ChEMBL_1467609 (CHEMBL3411705)	Inhibition of HIV1 reverse transcriptase-associated DNA polymerase-independent RNase H activity after 1 hr
50045669	4	ChEMBL_1467610 (CHEMBL3411706)	Inhibition of HIV1 reverse transcriptase-associated RNA-dependent DNA polymerase activity after 30 mins
50045669	5	ChEMBL_1467612 (CHEMBL3411708)	Inhibition of HIV1 reverse transcriptase Tyr181Cys mutant-associated DNA polymerase-independent RNase H activity after 1 hr
50045669	6	ChEMBL_1467613 (CHEMBL3411709)	Inhibition of HIV1 reverse transcriptase Tyr181Cys mutant-associated RNA-dependent DNA polymerase activity after 30 mins
50045670	1	ChEMBL_1467648 (CHEMBL3411010)	Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome methyl ester as substrate incubated for 5 mins prior to substrate addition measured for 2 mins by spectrophotometric analysis
50045670	2	ChEMBL_1467649 (CHEMBL3411011)	Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incubated for 30 mins prior to substrate addition measured for 2 mins by spectrophotometric analysis
50045670	3	ChEMBL_1467652 (CHEMBL3411014)	Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli BL21(DE3) using L-dopachrome methyl ester as substrate incubated with protein prior to substrate addition by spectrophotometric analysis
50045670	4	ChEMBL_1467651 (CHEMBL3411013)	Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incubated for 30 mins prior to substrate addition measured 24 months post determination of initial value by spectrophotometric analysis
50045670	5	ChEMBL_1467650 (CHEMBL3411012)	Inhibition of human recombinant macrophage migration inhibitory factor tautomerase activity expressed in Escherichia coli DH5alpha using L-dopachrome methyl ester as substrate incubated for 5 mins prior to substrate addition measured 24 months post determination of initial value by spectrophotometric analysis
50045671	1	ChEMBL_1467653 (CHEMBL3411015)	Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method
50045671	2	ChEMBL_1467659 (CHEMBL3411021)	Inhibition of SYK (unknown origin)
50045672	1	ChEMBL_1467830 (CHEMBL3412555)	Binding affinity to FGF2 (unknown origin) assessed as change in luminance intensity at at 25 degC by SPR imaging sensor method
50045673	1	ChEMBL_1467831 (CHEMBL3412556)	Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenkov counting method
50045673	2	ChEMBL_1467837 (CHEMBL3412562)	Inhibition of wild-type GST-tagged LRRK2 (1326 to 2527 aa)(unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenkov counting method
50045674	1	ChEMBL_1467847 (CHEMBL3412744)	Inhibition of recombinant Pneumocystis carinii DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay
50045674	2	ChEMBL_1467842 (CHEMBL3412567)	Inhibition of recombinant human DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay
50045674	3	ChEMBL_1467844 (CHEMBL3412569)	Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay
50045674	4	ChEMBL_1467843 (CHEMBL3412568)	Inhibition of Pneumocystis carinii DHFR by spectrophotometric assay
50045674	5	ChEMBL_1467840 (CHEMBL3412565)	Inhibition of EGFR intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAKKK-CONH2 as substrate after 10 mins by scintillation counting in presence of [gamma-33P]ATP
50045674	6	ChEMBL_1467839 (CHEMBL3412564)	Inhibition of ErbB-2 intracellular domain (unknown origin) purified from a baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAKKK-CONH2 as substrate after 10 mins by scintillation counting in presence of [gamma-33P]ATP
50045674	7	ChEMBL_1467841 (CHEMBL3412566)	Inhibition of adenosine kinase (unknown origin)
50045675	1	ChEMBL_1467867 (CHEMBL3412764)	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 mins measured up to 30 mins by spectrophotometry
50045675	2	ChEMBL_1467866 (CHEMBL3412763)	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 mins by Lineweaver-Burk plot method
50045675	3	ChEMBL_1467868 (CHEMBL3412765)	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 mins by Lineweaver-Burk plot method
50045676	1	ChEMBL_1468057 (CHEMBL3413695)	Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay
50016596	1	ChEMBL_322430 (CHEMBL873552)	In vitro potency against calcium flux in Ltk cells expressing human recombinant metabotropic glutamate receptor 5 using fluorescence detection
50016601	1	ChEMBL_321519 (CHEMBL880579)	Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate
50016601	2	ChEMBL_320956 (CHEMBL885363)	Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate
50045676	2	ChEMBL_1468058 (CHEMBL3413696)	Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay
50016606	1	ChEMBL_321465 (CHEMBL880406)	Inhibitory activity towards CASP1 using fluorogenic substrates following an incubation for over 30 min at 37 degree C
50016606	2	ChEMBL_321466 (CHEMBL880407)	Inhibitory activity towards CASP3 using fluorogenic substrates following an incubation for over 30 min at 37 degree C
50016606	3	ChEMBL_321467 (CHEMBL880408)	Inhibitory activity towards CASP8 using fluorogenic substrates following an incubation for over 30 min at 37 degree C
50016609	1	ChEMBL_322254 (CHEMBL885012)	Inhibitory activity against Echovirus 9 using plaque reduction assay
50016612	1	ChEMBL_321483 (CHEMBL880424)	Inhibitory concentration against gamma-secretase in whole cell SH-SY5Y assay
50016615	4	ChEMBL_321342 (CHEMBL881486)	Inhibitory activity against 5-hydroxytryptamine 2A receptor in human
50016615	7	ChEMBL_321408 (CHEMBL880643)	Inhibitory activity against 5-hydroxytryptamine 3 receptor expressed in NG 108 cells
50016615	6	ChEMBL_321448 (CHEMBL880256)	Displacement of [3H]LSD binding to cloned human 5-hydroxytryptamine 6 receptor stably expressed in HEK cells
50016615	9	ChEMBL_321374 (CHEMBL881518)	Displacement of [3H]LSD binding to cloned h5-HT6 receptors stably expressed in HEK cells
50016615	10	ChEMBL_321325 (CHEMBL880609)	Inhibitory activity against 5-hydroxytryptamine 1A receptor in rat
50016615	1	ChEMBL_321356 (CHEMBL881500)	Inhibitory activity against 5-hydroxytryptamine 4 receptor in guinea pig
50016615	12	ChEMBL_321332 (CHEMBL880616)	Inhibitory activity against 5-hydroxytryptamine 1D receptor in calf
50016615	8	ChEMBL_321326 (CHEMBL880610)	Inhibitory activity against 5-hydroxytryptamine 1B receptor in rat
50016615	13	ChEMBL_321335 (CHEMBL880619)	Inhibitory activity against 5-hydroxytryptamine 7 receptor in human
50016615	2	ChEMBL_321343 (CHEMBL881487)	Inhibitory activity against 5-hydroxytryptamine 2C receptor in human
50016615	11	ChEMBL_321333 (CHEMBL880617)	Inhibitory activity against 5-hydroxytryptamine 1D receptor in calf
50016615	3	ChEMBL_321331 (CHEMBL880615)	Inhibitory activity against 5-hydroxytryptamine 1B receptor in calf
50016616	1	ChEMBL_321418 (CHEMBL881949)	Inhibitory concentration against EGFR kinase phosphorylation using synthetic peptide as a substrate
50016616	3	ChEMBL_322436 (CHEMBL885079)	Inhibitory concentration against erbB2 autophosphorylation in MCF-7 breast carcinoma cell line
50016616	2	ChEMBL_321424 (CHEMBL881955)	Inhibitory concentration against erbB2 kinase phosphorylation using synthetic peptide as a substrate
50016618	1	ChEMBL_320931 (CHEMBL882450)	Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]LSD as radioligand with the compound (10 uM) dissolved in DMSO
50016618	3	ChEMBL_320950 (CHEMBL882469)	Inhibition constant against rat 5-hydroxytryptamine 2C receptor using [3H]mesulergine as radioligand with the compound (10 uM) dissolved in DMSO
50016618	6	ChEMBL_320952 (CHEMBL882471)	Inhibition constant against human 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand with the compound (10 uM) dissolved in DMSO
50016618	7	ChEMBL_320948 (CHEMBL882467)	Inhibition constant against rat 5-hydroxytryptamine 2A receptor using [3H]ketanserin as radioligand with the compound (10 uM) dissolved in DMSO
50016618	4	ChEMBL_320989 (CHEMBL872136)	Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms] using [3H]mesulergine as radioligand with the compound (10 uM) dissolved in DMSO
50016618	9	ChEMBL_322148 (CHEMBL883722)	Effective concentration required for accumulation of [3H]inositol phosphate in cells stably expressing human 5-hydroxytryptamine 2A receptor determined by phosphoinositide hydrolysis assay
50016618	5	ChEMBL_320988 (CHEMBL872135)	Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms] using [3H]mesulergine as radioligand with the compound (10 uM) dissolved in DMSO
50016618	8	ChEMBL_322149 (CHEMBL883723)	Effective concentration required for accumulation of [3H]inositol phosphate in cells stably expressing human 5-hydroxytryptamine 2C receptor determined by phosphoinositide hydrolysis assay
50016618	2	ChEMBL_322150 (CHEMBL883724)	Effective concentration required for accumulation of [3H]inositol phosphate in cells transiently expressing human 5-hydroxytryptamine 2B receptor determined by phosphoinositide hydrolysis assay
50016619	9	ChEMBL_321142 (CHEMBL872198)	Inhibitory activity against Cytochrome P450 2C9
50016619	8	ChEMBL_321462 (CHEMBL880273)	Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzyl ether
50016619	1	ChEMBL_321500 (CHEMBL880443)	Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy- 4-trifluoromethylcoumarin
50016619	2	ChEMBL_321493 (CHEMBL880434)	Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using 7-benzyloxy-4-trifluoromethylcoumarin
50016619	11	ChEMBL_321487 (CHEMBL880428)	Inhibition against Cytochrome P450 2C9 prepared from baculovirus-infected insect cells using 7-methoxy-4-trifluoromethylcoumarin
50016619	7	ChEMBL_321464 (CHEMBL880275)	Inhibition against Cytochrome P450 1A2 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin
50016619	3	ChEMBL_321536 (CHEMBL880596)	Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-methylcoumarin
50016619	6	ChEMBL_321460 (CHEMBL880271)	Inhibition against Cytochrome P450 3A4 prepared from baculovirus-infected insect cells using resorufin benzylether
50016619	10	ChEMBL_321468 (CHEMBL880409)	Inhibition against Cytochrome P450 2C19 prepared from baculovirus-infected insect cells using 3-cyano-7-ethoxycoumarin
50016619	4	ChEMBL_321137 (CHEMBL872193)	Inhibition against Cytochrome P450 2C9
50016619	5	ChEMBL_321532 (CHEMBL880592)	Inhibition against Cytochrome P450 2D6 prepared from baculovirus-infected insect cells using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin
50045676	3	ChEMBL_1468060 (CHEMBL3413698)	Inhibition of CYP3A4 (unknown origin) using testosterone as marker substrate
50045676	4	ChEMBL_1468061 (CHEMBL3413699)	Binding affinity to human OX1R
50045676	5	ChEMBL_1468062 (CHEMBL3413700)	Binding affinity to human OX2R
50045676	6	ChEMBL_1468067 (CHEMBL3413705)	Inhibition of CYP3A4 (unknown origin)
50045676	7	ChEMBL_1468068 (CHEMBL3413706)	Inhibition of CYP2C9 (unknown origin)
50045676	8	ChEMBL_1468069 (CHEMBL3413707)	Inhibition of CYP2D6 (unknown origin)
50045677	1	ChEMBL_1468090 (CHEMBL3413863)	Inhibition of human factor 10a using acromogenic substrate S-2222 preincubated for 30 mins before substrate addition measured after 20 mins by spectrophotometry
50045677	2	ChEMBL_1468091 (CHEMBL3413864)	Inhibition of human thrombin using acromogenic substrate S-2238 preincubated for 30 mins before substrate addition measured after 20 mins by spectrophotometry
50045678	1	ChEMBL_1468093 (CHEMBL3413866)	Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay
50045679	1	ChEMBL_1468106 (CHEMBL3413879)	Inhibition of GSK3beta (unknown origin) activity by competitive binding assay
50016622	2	ChEMBL_305124 (CHEMBL876979)	Inhibition of human progesterone receptor
50016622	1	ChEMBL_305161 (CHEMBL832752)	Inhibition of human progesterone receptor
50016623	2	ChEMBL_303740 (CHEMBL829783)	In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expressed on CHO cells determined using [3H]-R214127 as radioligand
50016623	1	ChEMBL_303719 (CHEMBL829054)	In vitro affinity for cloned rat metabotropic glutamate 5 receptors stably expressed on CHO cells determined in radioligand binding assay
50016624	1	ChEMBL_303781 (CHEMBL830138)	Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells
50045680	1	ChEMBL_1468308 (CHEMBL3412051)	Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transactivation assay
50045680	2	ChEMBL_1468307 (CHEMBL3412050)	Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transactivation assay
50045680	3	ChEMBL_1468312 (CHEMBL3412055)	Inhibition of Notch2 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transactivation assay
50045680	4	ChEMBL_1468313 (CHEMBL3412056)	Inhibition of Notch4 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transactivation assay
50045681	1	ChEMBL_1468325 (CHEMBL3412204)	Displacement of [125I]BDZ1 from CCK2R (unknown origin) expressed in CHO cells
50045681	2	ChEMBL_1468323 (CHEMBL3412066)	Displacement of [125I]CCK from CCK2R (unknown origin) expressed in CHO cells
50045681	3	ChEMBL_1468322 (CHEMBL3412065)	Displacement of [125I]CCK from CCK1R (unknown origin) expressed in CHO cells
50045681	4	ChEMBL_1468335 (CHEMBL3412214)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.01 nM (Rvb = 7 to 14 pM)
50045681	5	ChEMBL_1468336 (CHEMBL3412215)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.1 nM (Rvb = 7 to 14 pM)
50045681	6	ChEMBL_1468337 (CHEMBL3412216)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 0.316 nM (Rvb = 7 to 14 pM)
50045681	7	ChEMBL_1468338 (CHEMBL3412217)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 1 nM (Rvb = 7 to 14 pM)
50045681	8	ChEMBL_1468339 (CHEMBL3412218)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 10 nM (Rvb = 7 to 14 pM)
50045681	9	ChEMBL_1468340 (CHEMBL3412219)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 100 nM (Rvb = 7 to 14 pM)
50045681	10	ChEMBL_1468525 (CHEMBL3413153)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as CCK EC50 measured as intracellular calcium responses at 1000 nM (Rvb = 7 to 14 pM)
50045681	11	ChEMBL_1468527 (CHEMBL3413155)	Displacement of [125I]BDZ1 from CCK1R TM2 (unknown origin) containing N2.61T chimeric mutant expressed in CHO cells
50045681	12	ChEMBL_1468528 (CHEMBL3413156)	Displacement of [125I]BDZ1 from CCK1R TM3 (unknown origin) containing T3.28V, T3.29S chimeric mutant expressed in CHO cells
50045681	13	ChEMBL_1468529 (CHEMBL3413157)	Displacement of [125I]BDZ1 from CCK1R TM6 (unknown origin) containing 16.51V, F6.52Y chimeric mutant expressed in CHO cells
50016633	2	ChEMBL_304239 (CHEMBL877120)	Caspase-3 activation activity tested in T47D breast cells done for 24 or 48 hr at 37 degree C
50016633	3	ChEMBL_304233 (CHEMBL829772)	Caspase-3 activation activity tested in DLD1 colon cells done for 24 or 48 hr at 37 degree C
50016633	5	ChEMBL_304257 (CHEMBL829728)	Caspase-3 activation activity tested in H1299 lung cancer cells done for 24 or 48 hr at 37 degree C
50016633	6	ChEMBL_304247 (CHEMBL829718)	Caspase-3 activation activity tested in ZR-75-1 cancer cells done for 24 or 48 hr at 37 degree C
50016633	8	ChEMBL_304244 (CHEMBL841799)	Caspase-3 activation activity tested in LnCap cancer cells done for 24 or 48 hr at 37 degree C
50016633	7	ChEMBL_304237 (CHEMBL841793)	Caspase-3 activation activity tested in HT-29 cancer cells done for 24 or 48 hr at 37 degree C
50016633	1	ChEMBL_304238 (CHEMBL841794)	Caspase-3 activation activity tested in P338 cancer cells done for 24 or 48 hr at 37 degree C
50016633	4	ChEMBL_304179 (CHEMBL829175)	Caspase activation activity of compound in cell line H-1299 nonsmall-cell lung cancer cells
50016634	2	ChEMBL_306096 (CHEMBL830871)	Inhibition of yeast glutathione reductase done for 30 minutes in pH 7.4 at 25 degree C with compound (0.2 mM)
50016634	3	ChEMBL_305846 (CHEMBL829587)	Inhibition of yeast glutathione reductase over 30 minutes pH 7.4 at 25 degree C
50016634	1	ChEMBL_303237 (CHEMBL827202)	Inhibition of yeast glutathione reductase for 30 minutes pH 7.4 at 25 degree C at 0.2 mM
50016636	1	ChEMBL_305541 (CHEMBL828561)	Inhibitory concentration against steroid sulfatase in placental microsomes
50045681	14	ChEMBL_1468530 (CHEMBL3413158)	Displacement of [125I]BDZ1 from CCK1R TM7 (unknown origin) containing L7.39H chimeric mutant expressed in CHO cells
50045681	15	ChEMBL_1468531 (CHEMBL3413159)	Displacement of [125I]CCK from CCK1R TM2 (unknown origin) containing N2.61T chimeric mutant expressed in CHO cells
50045681	16	ChEMBL_1468532 (CHEMBL3413160)	Displacement of [125I]CCK from CCK1R TM3 (unknown origin) containing T3.28V, T3.29S chimeric mutant expressed in CHO cells
50045681	17	ChEMBL_1468533 (CHEMBL3413161)	Displacement of [125I]CCK from CCK1R TM6 (unknown origin) containing 16.51V, F6.52Y chimeric mutant expressed in CHO cells
50045681	18	ChEMBL_1468534 (CHEMBL3413162)	Displacement of [125I]CCK from CCK1R TM7 (unknown origin) containing L7.39H chimeric mutant expressed in CHO cells
50045681	19	ChEMBL_1468536 (CHEMBL3413164)	Displacement of [125I]BDZ2 from CCK2R TM3 (unknown origin) containing T3.28V, T3.29S chimeric mutant expressed in CHO cells
50045681	20	ChEMBL_1468537 (CHEMBL3413165)	Displacement of [125I]BDZ2 from CCK2R TM6 (unknown origin) containing 16.51V, F6.52Y chimeric mutant expressed in CHO cells
50045681	21	ChEMBL_1468538 (CHEMBL3413166)	Displacement of [125I]BDZ2 from CCK2R TM7 (unknown origin) containing L7.39H chimeric mutant expressed in CHO cells
50045681	22	ChEMBL_1468539 (CHEMBL3413167)	Displacement of [125I]CCK from CCK2R TM2 (unknown origin) containing N2.61T chimeric mutant expressed in CHO cells
50045681	23	ChEMBL_1468540 (CHEMBL3413168)	Displacement of [125I]CCK from CCK2R TM3 (unknown origin) containing T3.28V, T3.29S chimeric mutant expressed in CHO cells
50045681	24	ChEMBL_1468541 (CHEMBL3413169)	Displacement of [125I]CCK from CCK2R TM6 (unknown origin) containing 16.51V, F6.52Y chimeric mutant expressed in CHO cells
50045681	25	ChEMBL_1468542 (CHEMBL3413170)	Displacement of [125I]CCK from CCK2R TM7 (unknown origin) containing L7.39H chimeric mutant expressed in CHO cells
50045681	26	ChEMBL_1468328 (CHEMBL3412207)	Activity at CCK1R (unknown origin) expressed in CHO cells assessed as stimulation of intracellular calcium responses
50045681	27	ChEMBL_1468327 (CHEMBL3412206)	Displacement of [125I]BDZ2 from CCK2R (unknown origin) expressed in CHO cells
50045681	28	ChEMBL_1468326 (CHEMBL3412205)	Displacement of [125I]BDZ1 from CCK1R (unknown origin) expressed in CHO cells
50045682	1	ChEMBL_1468556 (CHEMBL3413346)	Inhibition of human recombinant COX1 by ELISA
50016641	1	ChEMBL_302801 (CHEMBL876359)	Inhibitory activity against carboxypeptidase G2 from pseudomonas RS16
50045682	2	ChEMBL_1468557 (CHEMBL3413347)	Inhibition of human recombinant COX2 by ELISA
50016643	15	ChEMBL_305585 (CHEMBL874430)	Inhibition of HER2 kinase in intact CSH12 cells; Range = 25-50 nM
50016643	12	ChEMBL_305352 (CHEMBL832732)	Inhibition of human PDGFR kinase in intact NIHPDGFR cells
50016643	17	ChEMBL_305000 (CHEMBL829436)	Inhibition of HER2 kinase in intact CSH12 cells
50045683	1	ChEMBL_1468759 (CHEMBL3414298)	Inhibition of Ubc9 (unknown origin) assessed as reduction in fluorescent peptide FL-AR sumoylation using ATP, SUMO E1 and His-tagged SUMO-1 after 90 mins by competitive sumoylation microfluidic electrophoretic mobility shift biochemical assay
50045684	1	ChEMBL_1473107 (CHEMBL3421436)	Inhibition of human AR
50016643	19	ChEMBL_306537 (CHEMBL827826)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 10000-50000 nM
50016643	13	ChEMBL_305584 (CHEMBL828032)	Inhibition of HER1 kinase in intact DHER14 cells; Range = 5-15 nM
50045684	2	ChEMBL_1473106 (CHEMBL3421435)	Inhibition of human AR by fluorescence assay
50016643	6	ChEMBL_306626 (CHEMBL829928)	Inhibition of EGF Receptor autophosphorylation in A431 cell lysate; Range = 1000-5000 nM
50045684	3	ChEMBL_1473105 (CHEMBL3421434)	Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction by spectrophotometry
50016644	2	ChEMBL_305318 (CHEMBL833540)	Inhibition of Grb2 SH2 domain binding in ELISA
50045684	4	ChEMBL_1473104 (CHEMBL3421433)	Inhibition of ALR1 (unknown origin)
50016645	1	ChEMBL_304341 (CHEMBL839767)	Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
50016645	4	ChEMBL_304345 (CHEMBL839771)	Agonism of human S1P-5 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
50016645	3	ChEMBL_304342 (CHEMBL839768)	Agonism of human S1P-2 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
50016645	5	ChEMBL_304344 (CHEMBL839770)	Agonism of human S1P-4 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
50016645	2	ChEMBL_304343 (CHEMBL839769)	Agonism of human S1P-3 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
50016648	1	ChEMBL_321449 (CHEMBL880257)	Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay
50045684	5	ChEMBL_1473103 (CHEMBL3421432)	Inhibition of AR (unknown origin)
50045685	1	ChEMBL_1473110 (CHEMBL3421439)	Competitive inhibition of human EZH2 using SAM and histone H3 (16 to 30) as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by Michaelis-Menten plot analysis
50045685	2	ChEMBL_1473111 (CHEMBL3421440)	Inhibition of human EZH2 using SAM and histone H3 (16 to 30) as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by flash plate assay
50045685	3	ChEMBL_1473113 (CHEMBL3421442)	Inhibition of G9a (unknown origin) using SAM/biotinylated H3 as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by ELISA
50045685	4	ChEMBL_1473114 (CHEMBL3421443)	Inhibition of G9a (685 to 1000) (unknown origin) assessed as H3K9me2 level by mass spectrophotometric analysis
50045685	5	ChEMBL_1473115 (CHEMBL3421444)	Inhibition of GLP (610 to 917) (unknown origin) assessed as H3K9me2 level by mass spectrophotometric analysis
50016648	2	ChEMBL_321254 (CHEMBL880932)	Inhibitory activity against matrix metallopeptidase 13
50045685	6	ChEMBL_1473116 (CHEMBL3421445)	Inhibition of N-terminal hexahistidine-tagged SET domain of human GLP (951 to 1235) expressed in Escherichia coli BL21 (DE3) using Histone H3 peptide (1 to 15) as substrate preincubated on ice for 15 mins followed by 5 mins incubation at 30 degC measured post substrate addition by mass spectrophotometric analysis
50045685	7	ChEMBL_1473117 (CHEMBL3421446)	Inhibition of N-terminal hexahistidine-tagged SET domain of human G9a (913 to 1193) expressed in Escherichia coli BL21 (DE3) using Histone H3 peptide (1 to 15) as substrate preincubated on ice for 15 mins followed by 5 mins incubation at 30 degC measured post substrate addition by mass spectrophotometric analysis
50045685	8	ChEMBL_1473118 (CHEMBL3421447)	Binding affinity to recombinant human GLP (951 to 1235) by isothermal titration calorimetric analysis
50045685	9	ChEMBL_1473119 (CHEMBL3421448)	Inhibition of recombinant human GLP (951 to 1235) using Histone H3 peptide (1 to 15) as substrate preincubated on ice for 10 mins followed by 5 mins incubation at 30 degC measured 5 mins post substrate addition by mass spectrophotometric analysis
50045685	10	ChEMBL_1473112 (CHEMBL3421441)	Inhibition of G9a (unknown origin) by mass spectrophotometric analysis
50045685	11	ChEMBL_1473134 (CHEMBL3417982)	Inhibition of wild-type EZH2 in human OCI-LY19 cells assessed as reduction of H3K27me3 level after 96 hrs by ELISA assay
50045685	12	ChEMBL_1473135 (CHEMBL3417983)	Competitive inhibition of human EZH2 using H3K27A as substrate in presence of SAM
50045685	13	ChEMBL_1473136 (CHEMBL3417984)	Non-competitive inhibition of human EZH2 using [3H]-SAM as substrate in presence of H3K27A
50045685	14	ChEMBL_1473137 (CHEMBL3417985)	Inhibition of human wild-type EZH2 assessed as H3K27me0 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	15	ChEMBL_1473138 (CHEMBL3417986)	Inhibition of human EZH2 A677G mutant assessed as H3K27me0 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	16	ChEMBL_1473139 (CHEMBL3417987)	Inhibition of human EZH2 A677G mutant assessed as H3K27me1 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	17	ChEMBL_1473140 (CHEMBL3417988)	Inhibition of human EZH2 Y641F mutant assessed as H3K27me2 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	18	ChEMBL_1473141 (CHEMBL3417989)	Inhibition of human EZH2 Y641H mutant assessed as H3K27me2 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	19	ChEMBL_1473142 (CHEMBL3417990)	Inhibition of human EZH2 Y641N mutant assessed as H3K27me2 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	20	ChEMBL_1473241 (CHEMBL3418486)	Inhibition of human EZH2 Y641S mutant assessed as H3K27me2 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	21	ChEMBL_1473188 (CHEMBL3418240)	Inhibition of human EZH2 Y641C mutant assessed as H3K27me2 level after 30 mins by scintillation counting analysis in presence of [3H]-SAM
50045685	22	ChEMBL_1473210 (CHEMBL3418455)	Inhibition of N-terminal FLAG tagged full-length human EZH2 expressed in baculovirus infected Sf9 cells using H3K27 as substrate after 120 mins by mass spectrophotometric analysis
50045685	23	ChEMBL_1473211 (CHEMBL3418456)	Inhibition of N-terminal FLAG tagged human EZH2 Y641F mutant expressed in baculovirus infected Sf9 cells using H3K27 as substrate after 120 mins by mass spectrophotometric analysis
50045685	24	ChEMBL_1473212 (CHEMBL3418457)	Inhibition of N-terminal FLAG tagged full-length human EZH2 expressed in baculovirus infected Sf9 cells using H3K27 as substrate in presence of SAM
50045685	25	ChEMBL_1473244 (CHEMBL3418489)	Inhibition of EZH2 in human MCF10A cells assessed as reduction of H3K27me3 level after 72 hrs by Western blot analysis
50045685	26	ChEMBL_1473226 (CHEMBL3418471)	Competitive inhibition of EZH2 (unknown origin) using biotinylated-histone H3 (1 to 24) as substrate by Lineweaver-Burk plot analysis in presence of SAM
50016648	3	ChEMBL_321248 (CHEMBL881783)	Inhibitory activity against matrix metallopeptidase 1
50045685	27	ChEMBL_1473225 (CHEMBL3418470)	Inhibition of EZH2 (unknown origin) using biotinylated-histone H3 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-SAM
50045685	28	ChEMBL_1473248 (CHEMBL3418671)	Inhibition of wild-type human EZH2 by flash plate assay
50045685	29	ChEMBL_1473578 (CHEMBL3420688)	Inhibition of full-length human SETD7 expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3 (1 to 25) as substrate after 1 hr by Flash Plate assay in presence of [3H]-SAM
50045685	30	ChEMBL_1473703 (CHEMBL3421489)	Binding affinity to 6xHis-tagged recombinant human PRMT3 by surface plasmon resonance analysis
50045685	31	ChEMBL_1473725 (CHEMBL3418031)	Inhibition of recombinant human PRMT3 (211 to 531) using histone-4 (1 to 24) as substrate by S-adenosylhomocysteine hydrolase-coupled assay
50045685	32	ChEMBL_1473680 (CHEMBL3421466)	Inhibition of recombinant GST-tagged PRMT1 (unknown origin) using GST-P3 as substrate after 90 mins by scintillation counting analysis in presence of [3H]AdoMet
50045685	33	ChEMBL_1473679 (CHEMBL3421465)	Inhibition of recombinant human GST-tagged CARM1
50045685	34	ChEMBL_1473678 (CHEMBL3421464)	Inhibition of recombinant human GST-tagged PRMT1 using GST-Npl3 as substrate
50045685	35	ChEMBL_1473677 (CHEMBL3421463)	Inhibition of recombinant human PRMT1 using GST-Npl3 as substrate incubated for 15 mins prior to protein addition measured after 1 hr by colorimetric Assay
50045685	36	ChEMBL_1473676 (CHEMBL3421462)	Inhibition of DOT1L in human MV4-11 cells expressing MLL-AF4 assessed as cell growth inhibition after 14 days by Guava Viacount assay
50045685	37	ChEMBL_1473674 (CHEMBL3421243)	Inhibition of DOT1L in human MV4-11 cells expressing MLL-AF4 assessed as reduction of H3K79me2 level after 4 days by ELISA method
50045685	38	ChEMBL_1473658 (CHEMBL3421227)	Inhibition of human DOT1L using oligo-nucleosome/[3H]-SAM as substrate preincubated for 30 mins followed by substrate addition measured after 120 mins by Morrison plot analysis
50045685	39	ChEMBL_1473657 (CHEMBL3421226)	Inhibition of DOT1L in human MCF10A cells assessed as reduction of H3K79 level
50045685	40	ChEMBL_1473656 (CHEMBL3421225)	Binding affinity to DOT1L (unknown origin) by surface plasmon resonance analysis
50045685	41	ChEMBL_1473655 (CHEMBL3421224)	Competitive inhibition of SUV39H1 (unknown origin) using histone-H3 (1 to 21) as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of SAM
50045685	42	ChEMBL_1473654 (CHEMBL3421223)	Competitive inhibition of G9a (unknown origin) using histone-H3 (1 to 21) as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of SAM
50045685	43	ChEMBL_1473653 (CHEMBL3421222)	Competitive inhibition of PRMT1 (unknown origin) using histone-H4 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of SAM
50045685	44	ChEMBL_1473652 (CHEMBL3421221)	Competitive inhibition of human CARM1 using oligo-nucleosome as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of SAM
50045685	45	ChEMBL_1473651 (CHEMBL3421220)	Competitive inhibition of human DOT1L (1 to 472) using oligo-nucleosome as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of SAM
50045685	46	ChEMBL_1473646 (CHEMBL3421215)	Inhibition of human DOT1L (1 to 472) using [3H]-SAM/oligo-nucleosome as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by scintillation counting analysis
50045685	47	ChEMBL_1473639 (CHEMBL3421208)	Binding affinity to human DOT1L after 120 mins
50045685	48	ChEMBL_1473629 (CHEMBL3420968)	Inhibition of recombinant human DOT1L (1 to 416) using [3H]-SAM, SAM and nucleosome as substrate assessed as incorporation of radioactivity into nucleosome preincubated for 30 mins followed by substrate addition measured after 120 mins by flash plate assay
50016650	2	ChEMBL_321495 (CHEMBL880436)	Inhibitory concentration against human dipeptidylpeptidase 8 using FP-TAMRA incubated for 30 min
50016650	1	ChEMBL_321496 (CHEMBL880437)	Inhibitory concentration against human dipeptidylpeptidase 9 using FP-TAMRA incubated for 30 min
50016650	4	ChEMBL_321386 (CHEMBL881764)	Inhibitory concentration against human dipeptidylpeptidase 4
50016650	6	ChEMBL_321387 (CHEMBL881765)	Inhibitory concentration against human dipeptidylpeptidase 7
50045685	49	ChEMBL_1473626 (CHEMBL3420965)	Inhibition of N-terminal His6-tagged human SETD8 (191 to 352) assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to biotinylated H4K20 peptide substrate preincubated for 10 mins followed by substrate addition by liquid scintillation counting analysis
50016650	3	ChEMBL_321444 (CHEMBL880252)	Inhibitory concentration oagainst DPP9; Compound dissolved in DMSO solution at a pH of 2.5
50045685	50	ChEMBL_1473625 (CHEMBL3420964)	Competitive inhibition of SETD8 (unknown origin) using H4 (1 to 24) as substrate assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to peptide substrate after 1 hr by Lineweaver-Burk plot analysis in presence of SAM
50045685	51	ChEMBL_1473624 (CHEMBL3420963)	Inhibition of SETD8 (unknown origin) using H4 (1 to 24) as substrate assessed as incorporation of [3H]-methyl group from [3H-Me]-SAM to peptide substrate after 1 hr by scintillation proximity assay in presence of [3H]-SAM
50045685	52	ChEMBL_1473623 (CHEMBL3420962)	Inhibition of human PRMT1 (10 to 352) using RGG peptide as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate after 1.5 hrs by scintillation counting analysis
50045685	53	ChEMBL_1473622 (CHEMBL3420961)	Inhibition of human CARM1 (19 to 608) using histamine H3 (1 to 40) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate after 7 hrs by scintillation counting analysis
50045685	54	ChEMBL_1473621 (CHEMBL3420960)	Inhibition of full-length human SETD7 using histamine H3 (1 to 21) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate after 3 hrs by scintillation counting analysis
50045685	55	ChEMBL_1473620 (CHEMBL3420959)	Inhibition of human SETD2 (1347 to 1711) using histamine H3 (20 to 50) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substrate after 4 hrs by scintillation counting analysis
50045685	56	ChEMBL_1473619 (CHEMBL3420958)	Inhibition of SMYD2 in human KYSE-150 cells assessed as reduction of monomethylation of p53 K370 by sandwich ELISA method
50045685	57	ChEMBL_1473605 (CHEMBL3420944)	Inhibition of SMYD2 (unknown origin)
50045685	58	ChEMBL_1473598 (CHEMBL3420708)	Binding affinity to recombinant human full-length SMYD2 (1 to 433) by ITC analysis
50045685	59	ChEMBL_1473597 (CHEMBL3420707)	Inhibition of recombinant human full-length SMYD2 (1 to 433) using biotin-aminohexanoyl GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by AlphaScreen assay
50045685	60	ChEMBL_1473577 (CHEMBL3420687)	Inhibition of EZH2 in human HeLa cells assessed as reduction of H3K27me3 and H3K27me2 level after 96 hrs by ELISA method
50045686	1	ChEMBL_1473708 (CHEMBL3418014)	Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method
50045686	2	ChEMBL_1473712 (CHEMBL3418018)	Inhibition of G9a (unknown origin)
50045686	3	ChEMBL_1473707 (CHEMBL3418013)	Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method
50045686	4	ChEMBL_1473706 (CHEMBL3418012)	Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method
50016653	2	ChEMBL_321543 (CHEMBL881481)	Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived substrate
50016653	1	ChEMBL_321573 (CHEMBL881788)	Inhibitory concentration against endothelin converting enzyme 1 using bradykinin-derived
50016654	1	ChEMBL_321508 (CHEMBL880568)	Inhibitory activity against human DPP7 using Ala-Pro-AMC in fluorometric assay
50016654	2	ChEMBL_321507 (CHEMBL880567)	Inhibitory activity against human DPP4 using Gly-Pro-AMC in fluorometric assay
50045687	1	ChEMBL_1473515 (CHEMBL3420198)	Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay
50045687	2	ChEMBL_1473513 (CHEMBL3420196)	Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for 30 mins by FRET based HTRF assay
50016655	2	ChEMBL_320893 (CHEMBL872392)	Binding affinity against Dopamine receptor D2 expressed in CHO cells
50016655	1	ChEMBL_320904 (CHEMBL872403)	Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells
50016657	1	ChEMBL_321320 (CHEMBL882590)	Inhibitory activity against cGMP-dependent protein kinase from Eimeria tenella
50016659	2	ChEMBL_321259 (CHEMBL881884)	Binding affinity for human Estrogen receptor alpha
50016659	1	ChEMBL_321253 (CHEMBL880931)	Binding affinity for human Estrogen receptor beta
50016660	1	ChEMBL_321272 (CHEMBL881278)	In vitro inhibitory concentration against Poly(ADP-ribose) polymerase 1
50016661	1	ChEMBL_320863 (CHEMBL884788)	Inhibition of [3H]CHA binding to adenosine A1 receptor of human brain cortical membrane
50016661	2	ChEMBL_320866 (CHEMBL884791)	Inhibition of [3H]CGS-21680 binding to adenosine A2a receptor of bovine striatal membrane
50016661	3	ChEMBL_320862 (CHEMBL884787)	Inhibition of [3H]CGS-21680 binding to adenosine A2a receptor of human striatal membrane
50016661	4	ChEMBL_320867 (CHEMBL884792)	Inhibition of [3H]CHA binding to adenosine A1 receptor of bovine brain cortical membrane
50016663	2	ChEMBL_348348 (CHEMBL866241)	Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane
50016664	3	ChEMBL_321321 (CHEMBL882591)	Inhibitory concentration against cloned human thyroid hormone receptor beta 1
50016664	1	ChEMBL_321327 (CHEMBL880611)	Inhibitory concentration against cloned human thyroid hormone receptor alpha 1
50016664	2	ChEMBL_321322 (CHEMBL880606)	Inhibitory concentration against cloned human thyroid hormone receptor alpha 1
50045687	3	ChEMBL_1473617 (CHEMBL3420956)	Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)
50045688	1	ChEMBL_1473736 (CHEMBL3418042)	Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end directed cleavage using HTS-1 RNA/DNA duplex substrate by fluorescence assay
50016666	2	ChEMBL_322388 (CHEMBL856252)	Inhibitory concentration against glucagon-induced cAMP accumulation in human glucagon receptor transfected CHO cells
50045688	2	ChEMBL_1473737 (CHEMBL3418254)	Inhibition of HIV1 reverse transcriptase L100I/K103N mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by liquid scintillation spectrometry
50016666	4	ChEMBL_321190 (CHEMBL882919)	Inhibitory concentration against Potassium channel hERG
50045688	3	ChEMBL_1473739 (CHEMBL3418256)	Inhibition of Moloney murine leukemia virus reverse transcriptase polymerase activity using Td100/Pd18 DNA-DNA substrate incubated for 30 mins by fluorescence assay
50016666	3	ChEMBL_322381 (CHEMBL856245)	Inhibitory concentration against human gastric inhibitory polypeptide receptor (hGIP) mediated cAMP accumulation
50045688	4	ChEMBL_1473740 (CHEMBL3418257)	Inhibition of HIV integrase pre-incubated for 10 mins before DNA substrate addition
50016670	1	ChEMBL_305381 (CHEMBL876999)	In vitro inhibition of KDR
50045688	5	ChEMBL_1473728 (CHEMBL3418034)	Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in DNA 3' end directed cleavage using HTS-2 RNA/DNA duplex substrate by fluorescence assay
50016676	7	ChEMBL_303809 (CHEMBL829030)	Inhibition of [3H]8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex
50016676	4	ChEMBL_303812 (CHEMBL827071)	Inhibition of 1 nM [3H]mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex
50016676	5	ChEMBL_303813 (CHEMBL827072)	Inhibition of 0.4 nM [3H]ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex
50016676	3	ChEMBL_303799 (CHEMBL829848)	Inhibition of [3H]SCH-23,390 binding to Dopamine D1 receptor from rat striatum
50016676	1	ChEMBL_303800 (CHEMBL829849)	Inhibition of [3H]spiperone binding to Dopamine D2 receptor from rat striatum
50016678	2	ChEMBL_304361 (CHEMBL839790)	Effective concentration against human PPARalpha expressed in HepG2 cells
50016678	3	ChEMBL_304256 (CHEMBL829727)	Effective concentration against murine PPARalpha in transactivation assay
50016678	1	ChEMBL_304362 (CHEMBL840102)	Effective concentration against human PPARgamma expressed in HepG2 cells
50045688	6	ChEMBL_1473759 (CHEMBL3418276)	Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in internal cleavage using HTS-1 RNA/DNA duplex substrate by fluorescence assay
50016680	3	ChEMBL_306703 (CHEMBL830860)	Inhibitory concentration against porcine ALR1 Aldehyde reductase using DL-glyceraldehyde
50016680	4	ChEMBL_305465 (CHEMBL831075)	Inhibitory concentration against rat ALR2 aldose reductase
50016680	1	ChEMBL_305507 (CHEMBL831109)	Inhibitory concentration against human ALR2
50016680	2	ChEMBL_306684 (CHEMBL830018)	Inhibitory concentration against human ALR1 Aldehyde reductase using DL-glyceraldehyde
50016681	1	ChEMBL_303811 (CHEMBL827070)	Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA
50016681	4	ChEMBL_303485 (CHEMBL838859)	Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase
50016681	2	ChEMBL_303802 (CHEMBL829851)	Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA
50045688	7	ChEMBL_1473729 (CHEMBL3418035)	Inhibition of HIV1 recombinant reverse transcriptase associated catalytically active RNase H domain assessed as reduction in RNA 5' end directed cleavage using HTS-3 RNA/DNA duplex substrate by fluorescence assay
50045688	8	ChEMBL_1473730 (CHEMBL3418036)	Inhibition of reconstituted HIV1 RNase H using RNA/DNA duplex substrate by fluorescence assay
50045688	9	ChEMBL_1473731 (CHEMBL3418037)	Inhibition of HIV1 recombinant reverse transcriptase polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by liquid scintillation spectrometry
50045688	10	ChEMBL_1473732 (CHEMBL3418038)	Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/DNA duplex substrate by fluorescence assay
50045688	11	ChEMBL_1473733 (CHEMBL3418039)	Inhibition of HIV1 reverse transcriptase Y181C mutant associated RNase H domain activity assessed as reduction in reduction in DNA 3' end directed cleavage using HTS-1 RNA/DNA duplex substrate by fluorescence assay
50045688	12	ChEMBL_1473734 (CHEMBL3418040)	Inhibition of HIV1 reverse transcriptase Y181C mutant polymerase activity using [3H]TTP and poly(rA)-oligo(dT)16 substrate incubated for 20 mins by liquid scintillation spectrometry
50045688	13	ChEMBL_1473735 (CHEMBL3418041)	Inhibition of HIV1 reverse transcriptase L100I/K103N mutant associated RNase H domain activity assessed as reduction in internal cleavage using HTS-1 RNA/DNA duplex substrate by fluorescence assay
50016685	5	ChEMBL_306098 (CHEMBL830873)	Inhibitory concentration (1.5 mM) against human CYP450 1A2 dissolved in acetonitrile/methanol
50045689	1	ChEMBL_1473763 (CHEMBL3418280)	Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate
50016685	7	ChEMBL_306100 (CHEMBL830875)	Inhibitory concentration (1.5 mM) against human CYP450 2D6 dissolved in acetonitrile/methanol
50016685	6	ChEMBL_306099 (CHEMBL830874)	Inhibitory concentration (1.5 mM) against human CYP450 2C9 dissolved in acetonitrile/methanol
50016685	3	ChEMBL_306125 (CHEMBL833064)	Inhibitory concentration (1.5 mM) against human CYP450 2C19 dissolved in acetonitrile/methanol
50016685	9	ChEMBL_306900 (CHEMBL827852)	Inhibitory concentration (1.5 mM) against human CYP450 3A4 dissolved in acetonitrile/methanol using 7-Benzyloxy-4-(trifluoromethyl)coumarin (BFC) as fluorogenic substrate
50016686	17	ChEBML_310800	Effective concentration against human PPAR-alpha in Gal4 transactivation assay
50016686	7	ChEBML_306113	In vitro binding affinity for PPAR-delta
50046812	10	ChEMBL_1524893 (CHEMBL3637023)	Positive allosteric modulation of mGlu3 receptor (unknown origin) relative to control
50046812	11	ChEMBL_1524894 (CHEMBL3637024)	Positive allosteric modulation of mGlu4 receptor (unknown origin) relative to control
50046812	12	ChEMBL_1524895 (CHEMBL3637025)	Positive allosteric modulation of mGlu6 receptor (unknown origin) relative to control
50016686	18	ChEBML_310805	Effective concentration against canine PPAR-alpha in Gal4 transactivation assay
50046812	13	ChEMBL_1524896 (CHEMBL3637026)	Positive allosteric modulation of mGlu7 receptor (unknown origin) relative to control
50016686	11	ChEMBL_310847 (CHEMBL833882)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 11% response at 3 uM
50046812	14	ChEMBL_1524897 (CHEMBL3637027)	Positive allosteric modulation of mGlu8 receptor (unknown origin) relative to control
50016686	13	ChEMBL_310849 (CHEMBL833884)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 19% response at 3 uM
50016686	1	ChEBML_306114	In vitro binding affinity for PPAR-gamma
50016686	4	ChEMBL_310851 (CHEMBL833886)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 28% response at 3 uM
50016686	2	ChEMBL_310854 (CHEMBL833889)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 59% response at 3 uM
50016686	14	ChEMBL_310848 (CHEMBL833883)	Effective concentration against human PPAR-gamma in Gal4 transactivation assay; 12% response at 3 uM
50016689	3	ChEMBL_312623 (CHEMBL834112)	Agonist activity against mu opioid receptor of guinea pig ileum
50016690	7	ChEMBL_321400 (CHEMBL880635)	Inhibitory concentration against Met cytoplasmic sequence; Reported as mean (variability <15%)
50016690	5	ChEMBL_321415 (CHEMBL881946)	Inhibitory concentration against IGF-1R cytoplasmic sequence; Reported as mean (variability <15%)
50016690	3	ChEMBL_321451 (CHEMBL880259)	In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells
50016690	8	ChEMBL_321412 (CHEMBL881943)	In vitro inhibitory concentration against EGFR cytoplasmic sequence expressed in Sf9 cells
50016690	6	ChEMBL_321398 (CHEMBL880633)	Inhibitory concentration against FAK cytoplasmic sequence; Reported as mean (variability <15%)
50016690	2	ChEMBL_321443 (CHEMBL880251)	Inhibitory concentration against MAPKAP kinase 2 cytoplasmic sequence; Reported as mean (variability <15%)
50016690	4	ChEMBL_321399 (CHEMBL880634)	Inhibitory concentration against p38 cytoplasmic sequence; Reported as mean (variability <15%)
50045690	1	ChEMBL_1473766 (CHEMBL3418491)	Inhibition of human CYP17 expressed in Escherichia coli
50045690	2	ChEMBL_1473767 (CHEMBL3418492)	Displacement of [3H]R1881 from androgen receptor in human LNCAP cells
50045690	3	ChEMBL_1473765 (CHEMBL3418490)	Inhibition of human CYP17 using 17alpha-hydroxypregnenolone substrate
50045690	4	ChEMBL_1473768 (CHEMBL3418493)	Displacement of [3H]R1881 from androgen receptor in human PC3 cells
50045691	1	ChEMBL_1473818 (CHEMBL3418717)	Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromide uptake after 2 hrs by fluorescence assay
50016693	1	ChEMBL_320809 (CHEMBL872344)	Inhibition of [125I]-NDP MSH binding towards human melanocortin 4 receptor
50045691	2	ChEMBL_1473011 (CHEMBL3420661)	Antagonist activity at human P2X7 receptor
50045691	3	ChEMBL_1473820 (CHEMBL3418719)	Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP induction measured after 30 mins by ELISA
50016694	2	ChEMBL_320964 (CHEMBL885371)	Inhibition constant against [3H]methyllycaconitine binding to vesicular monoamine transporter-2 of rat brain membranes
50016694	3	ChEMBL_320944 (CHEMBL882463)	Inhibition constant against [3H]nicotine binding to vesicular monoamine transporter-2 of rat brain membranes
50016694	1	ChEMBL_320963 (CHEMBL885370)	Inhibition constant against [3H]dihydrotetrabenazine binding to vesicular monoamine transporter-2 of rat synaptic vesicle membranes
50016697	1	ChEMBL_321392 (CHEMBL880627)	Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol
50016697	3	ChEMBL_320949 (CHEMBL882468)	Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane
50016697	2	ChEMBL_322406 (CHEMBL871882)	In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye
50045691	4	ChEMBL_1473824 (CHEMBL3418723)	Antagonist activity at P2X7 receptor in LPS-primed mouse J774.A1 cells assessed as inhibition of ATP-induced IL-1beta release after 30 mins by ELISA
50045692	1	ChEMBL_1473017 (CHEMBL3420667)	Binding affinity to recombinant LSD1(unknown origin)
50016698	1	ChEMBL_320814 (CHEMBL872349)	Inhibitory constant against Dipeptidylpeptidase IV activity
50016698	2	ChEMBL_321015 (CHEMBL883648)	Inhibitory constant against Dipeptidylpeptidase IV calculated from IC50 from standard dose inhibition curve using cheng-Prussoff equation; range=61+/-7 nM
50016699	1	ChEMBL_320783 (CHEMBL884738)	Inhibition constant against Cannabinoid receptor 2
50045692	2	ChEMBL_1473015 (CHEMBL3420665)	Inhibition of MAOB (unknown origin)
50045692	3	ChEMBL_1473014 (CHEMBL3420664)	Inhibition of MAOA (unknown origin)
50024740	1	ChEMBL_551128 (CHEMBL1007709)	Agonist activity at human recombinant LXRalpha expressed in Escherichia coli BL21 cells assessed as association of recombinant SRC1 to LXRalpha ligand binding domain by HTRF assay
50045692	4	ChEMBL_1473012 (CHEMBL3420662)	Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay
50024744	1	ChEMBL_551444 (CHEMBL998215)	Inhibition of human recombinant MK2 by ELISA
50016701	2	ChEMBL_321113 (CHEMBL882879)	Effective concentration in transactivation assay using a chimeric LXR construct in HEK293 cells for LXRalpha receptor
50045693	1	ChEMBL_1473266 (CHEMBL3418689)	Inhibition of wild type B-Raf (unknown origin) assessed as inhibition of phosphorylation of peptide substrate
50045693	2	ChEMBL_1473265 (CHEMBL3418688)	Inhibition of B-Raf V600E mutant (unknown origin) assessed as inhibition of phosphorylation of peptide substrate
50045693	3	ChEMBL_1473267 (CHEMBL3418690)	Binding affinity to B-Raf V600E mutant (unknown origin)
50045693	4	ChEMBL_1473268 (CHEMBL3418691)	Binding affinity to wild type B-Raf (unknown origin)
50045693	5	ChEMBL_1473380 (CHEMBL3419340)	Activation of tumorigenic wild type B-Raf in human IPC-298 cells with Ras mutation assessed as phosphorylation of ERK
50045693	6	ChEMBL_1473370 (CHEMBL3419330)	Inhibition of B-Raf V600E mutant in human A375 cells assessed as phosphorylation of ERK
50045694	1	ChEMBL_1473457 (CHEMBL3419739)	Inhibition of equine serum BuChE after 5 mins by Ellman's method
50045694	2	ChEMBL_1473456 (CHEMBL3419738)	Inhibition of Electrophorus electricus AChE after 5 mins by Ellman's method
50016702	2	ChEMBL_321215 (CHEMBL884634)	Inhibitory concentration against human coagulation factor Xa
50016702	1	ChEMBL_321585 (CHEMBL884693)	Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes
50045694	3	ChEMBL_1473459 (CHEMBL3419741)	Inhibition of human recombinant AChE after 5 mins by Ellman's method
50016705	2	ChEMBL_320876 (CHEMBL884801)	Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells
50016705	1	ChEMBL_322374 (CHEMBL856238)	Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor
50016705	3	ChEMBL_322130 (CHEMBL884381)	Effective concentration for cAMP production in HeLa cells expressing human 5-HT6 receptors
50045695	1	ChEMBL_1473546 (CHEMBL3420425)	Displacement of radio-labeled MK-499 from ERG channel in human embryonic kidney cells
50045695	2	ChEMBL_1473547 (CHEMBL3420426)	Inhibition of BLK (unknown origin)
50045695	3	ChEMBL_1473548 (CHEMBL3420427)	Inhibition of ROS (unknown origin)
50045695	4	ChEMBL_1473797 (CHEMBL3418522)	Inhibition of LRRK2 (unknown origin)
50045695	5	ChEMBL_1473798 (CHEMBL3418523)	Inhibition of CHK2 (unknown origin)
50045695	6	ChEMBL_1473799 (CHEMBL3418524)	Inhibition of TSSK3 (unknown origin)
50045695	7	ChEMBL_1473800 (CHEMBL3418525)	Inhibition of ERG channel expressed in human embryonic kidney cells assessed as tail current amplitude measured for 3 to 30 mins by PatchXpress electrophysiology assay
50045695	8	ChEMBL_1473534 (CHEMBL3420413)	Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET assay
50045695	9	ChEMBL_1473535 (CHEMBL3420414)	Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT release in whole blood preincubated with IL-3 primed blood for 30 mins
50045695	10	ChEMBL_1473536 (CHEMBL3420415)	Inhibition of GST-fused Zap70 (unknown origin) expressed in insect SF9 cells using biotin-EQEDEPEGDYFEWLE-CONH2 as substrate preincubated for 10 mins followed by substrate/ATP addition measured after 45 mins by TR-FRET assay
50045696	1	ChEMBL_1473802 (CHEMBL3418527)	Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr by fluorescence assay
50045696	2	ChEMBL_1473827 (CHEMBL3418726)	Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr by fluorescence assay
50016707	13	ChEMBL_321396 (CHEMBL880631)	In vitro inhibitory concentration against HER2 with ATP concentration at 1/2Km
50016707	1	ChEMBL_321388 (CHEMBL881766)	In vitro inhibitory concentration EGF receptor with ATP concentration at 1/2Km
50016707	7	ChEMBL_321421 (CHEMBL881952)	In vitro inhibitory concentration against MEK with ATP concentration at 1/2Km
50016707	2	ChEMBL_321463 (CHEMBL880274)	Concentration required to inhibit cytochrome P450 isozyme CYP2D6 in vitro by 50%; b = not determined
50016707	17	ChEMBL_321410 (CHEMBL881941)	Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%
50016707	14	ChEMBL_321407 (CHEMBL880642)	In vitro inhibitory concentration against VEGFR2 with ATP concentration at 1/2Km
50016707	6	ChEMBL_321422 (CHEMBL881953)	In vitro inhibitory concentration against Met with ATP concentration at 1/2Km
50016707	3	ChEMBL_321389 (CHEMBL881767)	In vitro inhibitory concentration against LCK with ATP concentration at 1/2Km
50016707	16	ChEMBL_321405 (CHEMBL880640)	Concentration required to inhibit cytochrome P450 isozyme CYP1A2 in vitro by 50%
50016707	11	ChEMBL_321395 (CHEMBL880630)	In vitro inhibitory concentration against FAK with ATP concentration at 1/2Km
50016707	10	ChEMBL_321445 (CHEMBL880253)	In vitro inhibitory concentration against IGF-1R Sal kinase with ATP concentration at 1/2Km
50016707	12	ChEMBL_321406 (CHEMBL880641)	Concentration required to inhibit cytochrome P450 isozyme CYP2C9 in vitro by 50%
50016710	7	ChEMBL_321367 (CHEMBL881511)	Inhibitory concentration against muscarinic acetylcholine receptor M1
50016710	12	ChEMBL_321623 (CHEMBL871632)	Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay
50016710	9	ChEMBL_321621 (CHEMBL871630)	Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells
50016710	2	ChEMBL_322477 (CHEMBL884193)	Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 cells expressing human MCH1R after incubation with [3H]myo-inositol
50016710	14	ChEMBL_321618 (CHEMBL871627)	Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay
50016710	16	ChEMBL_321257 (CHEMBL881882)	Inhibitory concentration against dopamine receptor D3
50016710	8	ChEMBL_321368 (CHEMBL881512)	Inhibitory concentration against muscarinic acetylcholine receptor M2
50016710	13	ChEMBL_321266 (CHEMBL881891)	Inhibitory concentration against histamine H2 receptor
50016710	3	ChEMBL_321344 (CHEMBL881488)	Inhibitory concentration against 5-hydroxytryptamine 1B receptor
50016710	10	ChEMBL_321575 (CHEMBL881790)	Inhibitory concentration against human 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells using [3H]mesulergine
50016710	1	ChEMBL_321265 (CHEMBL881890)	Inhibitory concentration against histamine H1 receptor
50016710	18	ChEMBL_321258 (CHEMBL881883)	Inhibitory concentration against dopamine transporter
50016710	15	ChEMBL_321339 (CHEMBL880623)	Inhibitory concentration against dopamine transporter
50016710	19	ChEMBL_321256 (CHEMBL881881)	Inhibitory concentration against dopamine receptor D1
50016710	5	ChEMBL_321345 (CHEMBL881489)	Inhibitory concentration against 5-hydroxytryptamine 2A receptor
50016710	11	ChEMBL_321563 (CHEMBL882592)	Inhibitory concentration against 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells using [3H]mesulergine
50016710	4	ChEMBL_321263 (CHEMBL881888)	Inhibitory concentration against Histamine H2 receptor
50016710	6	ChEMBL_321262 (CHEMBL881887)	Inhibitory concentration against Histamine H1 receptor
50016711	6	ChEMBL_322414 (CHEMBL871890)	Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells
50016711	10	ChEMBL_322411 (CHEMBL871887)	Interaction with human cytochrome P450 isoform 1A2 expressed in baculovirus-insect cells
50016711	7	ChEMBL_322428 (CHEMBL873550)	Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)
50016711	11	ChEMBL_321299 (CHEMBL881395)	Concentration required to inhibit A beta 40 peptide 100 uM
50016711	8	ChEMBL_322412 (CHEMBL871888)	Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells
50016711	5	ChEMBL_322416 (CHEMBL873538)	Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells
50016711	9	ChEMBL_322413 (CHEMBL871889)	Interaction with human cytochrome P450 isoform 2D6 expressed in baculovirus-insect cells
50016711	14	ChEMBL_321245 (CHEMBL881780)	Concentration required to inhibit A beta 40 peptide
50016711	13	ChEMBL_321306 (CHEMBL881402)	Concentration required to inhibit A beta 40 peptide 100 uM
50016711	1	ChEMBL_321330 (CHEMBL880614)	Concentration required to inhibit cyclooxygenase-1 in rat blood
50016711	4	ChEMBL_321285 (CHEMBL856814)	Concentration required to inhibit A beta 40 peptide 100 um
50016711	12	ChEMBL_322377 (CHEMBL856241)	Inhibition of cytochrome P450 3A4 at 100 uM; activation observed
50016711	2	ChEMBL_321346 (CHEMBL880660)	Concentration required to inhibit cyclooxygenase-2 in human blood
50016712	4	ChEMBL_321007 (CHEMBL872291)	Inhibition of [3H]-PDBu binding to C1b domain of protein kinase C delta without phosphatidylserine
50016712	1	ChEMBL_320942 (CHEMBL882461)	Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta
50016712	3	ChEMBL_321013 (CHEMBL871845)	Inhibition of [3H]PDBu binding to C1b domain of protein kinase C delta with phosphatidylserine
50045696	3	ChEMBL_1473830 (CHEMBL3418729)	Binding affinity to human recombinant MAO-B measured after longer preincubation
50045696	4	ChEMBL_1473804 (CHEMBL3418529)	Inhibition of rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting
50045696	5	ChEMBL_1473803 (CHEMBL3418528)	Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting
50045697	1	ChEMBL_1473843 (CHEMBL3418920)	Inhibition of HIV-1 HXB2 integrase using 32P-labelled oligonucleotide as substrate after 1 hr by phosphorimager analysis
50045697	2	ChEMBL_1473839 (CHEMBL3418916)	Inhibition of HIV-1 integrase strand transfer activity by gel-based assay
50045697	3	ChEMBL_1473838 (CHEMBL3418915)	Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate
50016718	1	ChEMBL_320923 (CHEMBL881350)	In vitro binding affinity against rat cannabinoid receptor 1 using 0.5 nM [3H]CP-55940
50016719	3	ChEMBL_321505 (CHEMBL880565)	Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes
50045698	1	ChEMBL_1473858 (CHEMBL3418935)	Inhibition of TrxR in human HeLa cells assessed as depletion of cellular thiol after 48 hrs
50045698	2	ChEMBL_1473852 (CHEMBL3418929)	In vitro inhibition of NADPH-reduced TrxR (unknown origin) after 2 hrs incubation by microplate reader
50045699	1	ChEMBL_1473870 (CHEMBL3418947)	Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay
50045699	2	ChEMBL_1473908 (CHEMBL3419159)	Competitive binding affinity to human PAK7
50045699	3	ChEMBL_1473909 (CHEMBL3419160)	Competitive binding affinity to human ROS1
50045699	4	ChEMBL_1473910 (CHEMBL3419161)	Competitive binding affinity to human SLK
50045699	5	ChEMBL_1473911 (CHEMBL3419162)	Competitive binding affinity to human SYK
50045699	6	ChEMBL_1473912 (CHEMBL3419163)	Competitive binding affinity to human ZAP70
50045699	7	ChEMBL_1473913 (CHEMBL3419164)	Inhibition of human ZAP70
50045699	8	ChEMBL_1473914 (CHEMBL3419165)	Inhibition of ZAP70 in anti-CD3 stimulated human Jurkat T cells assessed as SLP76 phosphorylation at Y128 preincubated for 30 mins followed by anti-CD3 stimulation measured after 2 mins by FACS analysis
50045699	9	ChEMBL_1473930 (CHEMBL3419366)	Inhibition of human ERG by manual patch clamp assay
50045699	10	ChEMBL_1472876 (CHEMBL3419930)	Inhibition of human ERG by GLP study
50045699	11	ChEMBL_1472890 (CHEMBL3419944)	Inhibition of human PKCalpha
50045699	12	ChEMBL_1473907 (CHEMBL3419158)	Competitive binding affinity to human PAK6
50045699	13	ChEMBL_1473906 (CHEMBL3419157)	Competitive binding affinity to human PAK4
50045699	14	ChEMBL_1473905 (CHEMBL3419156)	Competitive binding affinity to human MERTK
50045699	15	ChEMBL_1473904 (CHEMBL3419155)	Competitive binding affinity to human MAP3K2
50045699	16	ChEMBL_1473903 (CHEMBL3419154)	Competitive binding affinity to human JAK2
50045699	17	ChEMBL_1473902 (CHEMBL3419153)	Competitive binding affinity to human IRAK1
50045699	18	ChEMBL_1473900 (CHEMBL3419151)	Competitive binding affinity to human BUB1
50045699	19	ChEMBL_1473899 (CHEMBL3419150)	Competitive binding affinity to human AXL
50045699	20	ChEMBL_1473874 (CHEMBL3419125)	Inhibition of human ERG expressed in CHO cells by automated Qpatch clamp assay
50045699	21	ChEMBL_1473873 (CHEMBL3418950)	Inhibition of Syk in anti-CD32 stimulated CD14+ human monocytes assessed as phospho-SLP76 level preincubated for 30 mins followed by anti-CD32 stimulation measured after 5 mins by flow cytometric analysis
50045699	22	ChEMBL_1473872 (CHEMBL3418949)	Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation measured after 15 mins by flow cytometric analysis
50045700	1	ChEMBL_1472903 (CHEMBL3419957)	Agonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50045700	2	ChEMBL_1472906 (CHEMBL3420135)	Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50045700	3	ChEMBL_1472892 (CHEMBL3419946)	Agonist activity at human recombinant 5HT2B receptor expressed in HEK293 cells assessed as [3H]inositol incorporation after 2 hrs by TopCount scintillation counting analysis
50045700	4	ChEMBL_1472894 (CHEMBL3419948)	Agonist activity at 5HT2C receptor (unknown origin) relative to control
50045700	5	ChEMBL_1472895 (CHEMBL3419949)	Agonist activity at 5HT2B receptor (unknown origin) relative to control
50045700	6	ChEMBL_1472897 (CHEMBL3419951)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium mobilization
50045700	7	ChEMBL_1472898 (CHEMBL3419952)	Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium mobilization
50045700	8	ChEMBL_1472900 (CHEMBL3419954)	Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50016723	1	ChEMBL_321510 (CHEMBL880570)	Inhibition of BCL2 by fluorescence polarization based competitive binding assay
50016726	1	ChEMBL_320782 (CHEMBL884737)	Inhibition constant against human recombinant Monoamine oxidase-B 
50016727	3	ChEMBL_320839 (CHEMBL871681)	Inhibition of monoamine reuptake at serotonin transporter
50016727	2	ChEMBL_320837 (CHEMBL871679)	Inhibition of monoamine reuptake at dopamine transporter
50016727	1	ChEMBL_320846 (CHEMBL884631)	Inhibition of monoamine reuptake at norepinephrine transporter
50016728	3	ChEMBL_321268 (CHEMBL881893)	Inhibitory concentration against histone deacetylase 2
50016728	4	ChEMBL_321270 (CHEMBL881895)	Inhibitory concentration against histone deacetylase 6
50016728	1	ChEMBL_321267 (CHEMBL881892)	Inhibitory concentration against histone deacetylase 1
50016728	2	ChEMBL_321269 (CHEMBL881894)	Inhibitory concentration against histone deacetylase 4
50016729	2	ChEMBL_322146 (CHEMBL883720)	In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay
50016729	3	ChEMBL_321003 (CHEMBL872288)	Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone
50045700	9	ChEMBL_1472977 (CHEMBL3420397)	Inhibition of human ERG channel expressed in CHO cells by patch clamp method
50016730	1	ChEMBL_322247 (CHEMBL883703)	Inhibitory concentration against thrombin
50016730	5	ChEMBL_320806 (CHEMBL884761)	Inhibitory constant against tissue plasminogen activator
50016730	4	ChEMBL_320755 (CHEMBL884569)	Inhibitory constant against thrombin
50016730	6	ChEMBL_320753 (CHEMBL884567)	Inhibitory constant against trypsin
50016730	3	ChEMBL_320803 (CHEMBL884758)	Inhibitory constant against human Coagulation factor Xa
50016730	2	ChEMBL_321908 (CHEMBL883030)	Inhibitory constant against tissue plasminogen activator
50016731	4	ChEMBL_320860 (CHEMBL884785)	Binding affinity towards Dopamine receptor D 4.4 using CHO cell line and [3H]spiperone as radioligand 
50016731	2	ChEMBL_320854 (CHEMBL884779)	Binding affinity towards Dopamine receptor D3 using CHO cell line and [3H]-spiperone as radioligand 
50016731	8	ChEMBL_320856 (CHEMBL884781)	Binding affinity towards Dopamine D2S receptor using CHO cell line and [3H]spiperone as radioligand 
50016731	6	ChEMBL_320892 (CHEMBL872391)	Binding affinity towards Dopamine receptor D1 using porcine striatal membrane and [3H]-SCH- 23390 as radioligand 
50016731	3	ChEMBL_320865 (CHEMBL884790)	Binding affinity towards 5-HT1A receptor using porcine cortical membrane and [3H]-8-OH-DPAT as radioligand 
50045700	10	ChEMBL_1472997 (CHEMBL3420647)	Binding affinity to 5HT1A receptor (unknown origin)
50016731	1	ChEMBL_320855 (CHEMBL884780)	Binding affinity towards Dopamine D2L receptor using CHO cell line and [3H]spiperone as radioligand 
50045700	11	ChEMBL_1473073 (CHEMBL3421183)	Binding affinity to 5HT6 receptor (unknown origin)
50045700	12	ChEMBL_1473025 (CHEMBL3420906)	Binding affinity to 5HT7 receptor (unknown origin)
50045700	13	ChEMBL_1473026 (CHEMBL3420907)	Binding affinity to adrenergic alpha-2A receptor (unknown origin)
50045700	14	ChEMBL_1473027 (CHEMBL3420908)	Binding affinity to adrenergic alpha-2B receptor (unknown origin)
50045700	15	ChEMBL_1473028 (CHEMBL3420909)	Binding affinity to adrenergic alpha-2C receptor (unknown origin)
50045700	16	ChEMBL_1473029 (CHEMBL3420910)	Binding affinity to dopamine D3 receptor (unknown origin)
50045701	1	ChEMBL_1473888 (CHEMBL3419139)	Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CPM based HTS assay
50016733	1	ChEMBL_321541 (CHEMBL881479)	Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H](+)-pentazocine as radio ligand at pH 7.5 for 150 min at 22 degree C 
50016733	2	ChEMBL_321527 (CHEMBL880587)	Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H](+)-pentazocine as radio ligand at pH 7.5 for 150 min at 22 C 
50045701	2	ChEMBL_1473889 (CHEMBL3419140)	Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CoA-based HTS counter screen assay
50016735	1	ChEMBL_321533 (CHEMBL880593)	Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H](+)-pentazocine upon incubation for 150 minutes at 22 degree C
50016736	2	ChEMBL_321305 (CHEMBL881401)	Inhibitory concentration against c-Jun N-terminal kinase 3
50016736	3	ChEMBL_321304 (CHEMBL881400)	Inhibitory concentration against c-Jun N-terminal kinase 1
50016736	1	ChEMBL_321385 (CHEMBL881763)	Inhibitory concentration against Mitogen-activated protein kinase p38 alpha
50016739	1	ChEMBL_348855 (CHEMBL866887)	Inhibition of human BCATc
50016739	3	ChEMBL_348857 (CHEMBL866890)	Inhibition of rat BCATm
50016739	2	ChEMBL_348856 (CHEMBL866889)	Inhibition of rat BCATc
50016740	1	ChEMBL_321473 (CHEMBL880414)	Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme over-expressed in Sf9 insect cell membrane
50016744	1	ChEMBL_321627 (CHEMBL871636)	Inhibition of Vascular endothelial growth factor receptor 2 kinase phosphorylation of pGAT-biotin peptide
50016745	1	ChEMBL_321435 (CHEMBL880243)	Inhibitory concentration against Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)
50016745	2	ChEMBL_320833 (CHEMBL871675)	Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase (TcFPPS)
50016746	1	ChEMBL_321140 (CHEMBL872196)	Inhibitory activity against MTOR
50016747	1	ChEMBL_321409 (CHEMBL880644)	Inhibitory activity against renin in fluorescent tGFP assay
50016748	11	ChEMBL_320820 (CHEMBL872355)	Affinity towards cloned human 5-hydroxytryptamine 1A receptor
50016748	18	ChEMBL_320889 (CHEMBL872388)	In vitro binding affinity towards cloned human 5-HT2C receptor using [3H]5-carboximidotryptamine as radioligand
50016748	3	ChEMBL_320816 (CHEMBL872351)	Affinity towards cloned Muscarinic acetylcholine receptor M2
50016748	8	ChEMBL_320772 (CHEMBL884727)	Affinity towards cloned Histamine H1 receptor
50016748	26	ChEMBL_320766 (CHEMBL884721)	Affinity towards cloned Dopamine receptor D2
50016748	6	ChEMBL_320882 (CHEMBL884807)	In vitro binding affinity towards cloned human 5-HT7 receptor using [3H]5-carboximidotryptamine as radioligand
50016748	4	ChEMBL_320817 (CHEMBL872352)	Affinity towards cloned Muscarinic acetylcholine receptor M3
50016748	25	ChEMBL_320767 (CHEMBL884722)	Affinity towards cloned Dopamine receptor D3
50016748	5	ChEMBL_320815 (CHEMBL872350)	Affinity towards cloned Muscarinic acetylcholine receptor M1
50016748	7	ChEMBL_320881 (CHEMBL884806)	In vitro binding affinity towards cloned human 5-HT6 receptor using [3H]5-carboximidotryptamine as radioligand
50016748	2	ChEMBL_320819 (CHEMBL872354)	Affinity towards cloned Muscarinic acetylcholine receptor M5
50016748	12	ChEMBL_320776 (CHEMBL884731)	Affinity towards cloned Opioid receptor kappa 1
50016748	1	ChEMBL_320818 (CHEMBL872353)	Affinity towards cloned Muscarinic acetylcholine receptor M4
50016748	21	ChEMBL_320769 (CHEMBL884724)	Affinity towards cloned Dopamine receptor D5
50016748	15	ChEMBL_320770 (CHEMBL884725)	Affinity towards cloned Opioid receptor mu 1
50016748	14	ChEMBL_320888 (CHEMBL872387)	In vitro binding affinity towards cloned human 5-HT2A receptor using [3H]5-carboximidotryptamine as radioligand
50016748	22	ChEMBL_320768 (CHEMBL884723)	Affinity towards cloned Dopamine receptor D4
50016748	24	ChEMBL_320765 (CHEMBL884720)	Affinity towards cloned Dopamine receptor D1
50016748	10	ChEMBL_320886 (CHEMBL884811)	In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand
50016748	16	ChEMBL_320822 (CHEMBL872357)	Affinity towards cloned human 5-hydroxytryptamine 1D receptor
50016748	13	ChEMBL_320777 (CHEMBL884732)	Affinity towards 5-hydroxytryptamine 1B receptor
50016751	2	ChEMBL_321456 (CHEMBL879486)	Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay
50016751	4	ChEMBL_321227 (CHEMBL881227)	Inhibitory activity against mouse dihydroorotate dehydrogenase
50016751	1	ChEMBL_321212 (CHEMBL882940)	Inhibitory activity against rat dihydroorotate dehydrogenase
50016751	3	ChEMBL_321219 (CHEMBL884638)	Inhibitory activity against rat dihydroorotate dehydrogenase 
50016752	5	ChEMBL_320870 (CHEMBL884795)	Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016752	7	ChEMBL_320869 (CHEMBL884794)	Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016752	4	ChEMBL_320871 (CHEMBL884796)	Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016752	6	ChEMBL_320861 (CHEMBL884786)	Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells
50016752	1	ChEMBL_320873 (CHEMBL884798)	Binding affinity towards human alpha-2C adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016752	3	ChEMBL_321910 (CHEMBL883808)	Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells
50016753	4	ChEMBL_321246 (CHEMBL881781)	Inhibitory concentration against p38 at a concentration of 1.0 uM 
50016753	2	ChEMBL_321225 (CHEMBL880234)	Inhibitory activity against p38 at a concentration of 1.0 uM 
50016753	3	ChEMBL_321351 (CHEMBL881495)	Inhibitory activity against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM 
50016753	1	ChEMBL_321376 (CHEMBL881520)	Inhibitory concentration against c-Jun N-terminal kinase 3 at a concentration of 1.0 uM 
50016754	3	ChEMBL_320973 (CHEMBL885380)	Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]ZM-241385 compared to SCH-58261 (Ki=37 nM)
50016754	1	ChEMBL_320774 (CHEMBL884729)	Binding affinity towards adenosine A2A receptor
50016755	4	ChEMBL_321186 (CHEMBL882915)	Inhibitory concentration against MMP-3
50016755	3	ChEMBL_321185 (CHEMBL882914)	Inhibitory concentration against MMP-2
50016755	7	ChEMBL_321194 (CHEMBL882118)	Inhibitory concentration against MMP-13
50016755	2	ChEMBL_321188 (CHEMBL882917)	Inhibitory concentration against MMP-8
50016755	6	ChEMBL_321184 (CHEMBL882913)	Inhibitory concentration against MMP-1
50016755	1	ChEMBL_321187 (CHEMBL882916)	Inhibitory concentration against MMP-7
50016755	8	ChEMBL_321173 (CHEMBL882902)	Inhibitory concentration against TACE
50016756	2	ChEMBL_320986 (CHEMBL872133)	Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-) cells
50016756	1	ChEMBL_320985 (CHEMBL872132)	Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-1-beta-3-gamma-2 expressed in L(tk-) cells
50016758	1	ChEMBL_321481 (CHEMBL880422)	Binding affinity against human opioid receptor kappa 1 expressed in HEK293 cells using 3H-U69,593 radioligand
50016758	2	ChEMBL_321477 (CHEMBL880418)	Binding affinity against human opioid receptor mu 1 expressed in HEK293 cells using [3H]DAMGO radioligand
50016758	3	ChEMBL_321553 (CHEMBL881967)	Binding affinity determined by the ability to compete with [125I]-Tyr14- nociceptin from binding to human opiate receptor-like 1 expressed in HEK293 cells
50045701	3	ChEMBL_1473961 (CHEMBL3419557)	Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting
50016759	1	ChEMBL_320946 (CHEMBL882465)	Inhibitory activity against Chitinase B1 (AfChiB1) using fuorometric assay with 4-methylumbelliferyl-b-D-N,N0-diacetylchitobiose as substrate
50016760	1	ChEMBL_322407 (CHEMBL871883)	Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages
50016760	2	ChEMBL_321226 (CHEMBL881226)	Inhibitory activity against human recombinant cyclooxygenase 2
50016761	2	ChEMBL_321349 (CHEMBL880663)	Inhibitory concentration against [3H]AVP binding to human vasopressin V1a receptor 
50016761	1	ChEMBL_321513 (CHEMBL880573)	Inhibition of [3H]-AVP binding to human V2 receptor
50016767	2	ChEMBL_321485 (CHEMBL880426)	Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay
50016767	3	ChEMBL_321484 (CHEMBL880425)	Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay
50016767	1	ChEMBL_321118 (CHEMBL882884)	Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay
50016768	1	ChEMBL_321534 (CHEMBL880594)	Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells
50016768	2	ChEMBL_322390 (CHEMBL856254)	Inhibition of MIP-1beta stimulated calcium transients in CCR5-expressing CHO cells
50016771	4	ChEMBL_321362 (CHEMBL881506)	Inhibitory activity against cathepsin K using humanized rabbit enzyme
50016771	3	ChEMBL_321237 (CHEMBL881772)	Inhibitory activity against cathepsin L from human
50016771	5	ChEMBL_321238 (CHEMBL881773)	Inhibitory activity against cathepsin S from human
50016771	2	ChEMBL_321236 (CHEMBL881771)	Inhibitory activity against cathepsin B from human
50016771	1	ChEMBL_321357 (CHEMBL881501)	Inhibitory activity against cathepsin K from humanized rabbit enzyme
50016772	2	ChEMBL_321545 (CHEMBL881483)	In vitro inhibitory concentration against human protease activated receptor 1 using [3H]-haTRAP as radioligand
50016772	1	ChEMBL_320796 (CHEMBL884751)	Inhibitory constant against Protease-activated receptor 1
50016773	3	ChEMBL_322396 (CHEMBL871872)	Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release in IMR-32 cells in Ca+2 release cell assay
50016773	2	ChEMBL_321503 (CHEMBL880563)	Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]MCH
50016773	1	ChEMBL_321319 (CHEMBL882589)	Inhibition of human potassium channel HERG
50016774	3	ChEMBL_321593 (CHEMBL884701)	Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes of incubation at pH 7.40
50016774	2	ChEMBL_321551 (CHEMBL881965)	Affinity against calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]CGRP as radioligand after 180 minutes of incubation at pH 7.40
50016774	1	ChEMBL_321586 (CHEMBL884694)	Affinity against calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]CGRP as radioligand after 180 minutes of incubation at pH 7.40
50045701	4	ChEMBL_1473962 (CHEMBL3419558)	Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using dH3-H4 tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting
50045701	5	ChEMBL_1473963 (CHEMBL3419559)	Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mins by liquid scintillation counting
50045702	1	ChEMBL_1473980 (CHEMBL3419576)	Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	2	ChEMBL_1473981 (CHEMBL3419577)	Non-competitive partial inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM acetaldehyde
50045702	3	ChEMBL_1473088 (CHEMBL3421198)	Uncompetitive partial inhibition of recombinant human ALDH1A1 using 200 uM propionaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 25 to 250 uM NAD+
50045702	4	ChEMBL_1473075 (CHEMBL3421185)	Competitive inhibition of recombinant human ALDH1A1 using 800 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM acetaldehyde
50045702	5	ChEMBL_1473077 (CHEMBL3421187)	Inhibition of recombinant human ALDH1A2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	6	ChEMBL_1473079 (CHEMBL3421189)	Inhibition of recombinant human ALDH1A3 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	7	ChEMBL_1473081 (CHEMBL3421191)	Inhibition of recombinant human ALDH2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	8	ChEMBL_1473083 (CHEMBL3421193)	Inhibition of recombinant human ALDH1B1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	9	ChEMBL_1473085 (CHEMBL3421195)	Inhibition of recombinant human ALDH3A1 using benzaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045702	10	ChEMBL_1473160 (CHEMBL3418008)	Non-competitive tight inhibition of recombinant human ALDH1A1 using 1000 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM acetaldehyde
50045702	11	ChEMBL_1473161 (CHEMBL3418009)	Competitive tight inhibition of recombinant human ALDH1A1 using 1000 uM NAD+ as cofactor by Lineweaver-Burk plot analysis in presence of 100 to 800 uM acetaldehyde
50045702	12	ChEMBL_1473164 (CHEMBL3418216)	Inhibition of human ALDH1A1 G458N mutant using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis spectrophotometric analysis
50045703	1	ChEMBL_1473167 (CHEMBL3418219)	Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay
50045703	2	ChEMBL_1473169 (CHEMBL3418221)	Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay
50016778	6	ChEMBL_321402 (CHEMBL880637)	In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha
50016778	1	ChEMBL_321365 (CHEMBL881509)	Inhibitory concentration against mitogen-activated protein kinase p38-beta
50016778	3	ChEMBL_321260 (CHEMBL881885)	Inhibitory concentration against c-Jun N-terminal kinase 1
50016778	8	ChEMBL_321430 (CHEMBL880238)	Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 1 (MEKK1)
50016778	7	ChEMBL_321239 (CHEMBL881774)	Inhibitory concentration against I-kappa-B kinase beta
50016778	9	ChEMBL_321371 (CHEMBL881515)	Inhibitory concentration against mitogen-activated protein kinase p38-delta
50016778	5	ChEMBL_321336 (CHEMBL880620)	Inhibitory concentration against mitogen-activated protein kinase 3
50016778	2	ChEMBL_321366 (CHEMBL881510)	Inhibitory concentration against mitogen-activated protein kinase p38-gamma
50016780	6	ChEMBL_320908 (CHEMBL881235)	Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estradiol
50016780	4	ChEMBL_321124 (CHEMBL884979)	Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30 mins at RT
50016780	2	ChEMBL_320911 (CHEMBL881238)	Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estradiol
50016780	1	ChEMBL_320912 (CHEMBL881339)	Binding affinity towards human estrogen receptor alpha in a competitive binding assay using fluorescently labelled estradiol
50016780	3	ChEMBL_321123 (CHEMBL881383)	Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30 mins at RT
50016780	5	ChEMBL_320910 (CHEMBL881237)	Binding affinity towards human estrogen receptor beta in a competitive binding assay using fluorescently labelled estradiol
50016781	2	ChEMBL_321027 (CHEMBL883659)	Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4)
50016781	1	ChEMBL_321026 (CHEMBL882867)	Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4)
50016781	3	ChEMBL_321025 (CHEMBL882866)	Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric acid A receptor alpha-1-beta-3-gamma-2 expressed in mouse fibroblast L(tk-) cells (30 min at 24 degrees C, pH 7.4)
50016785	2	ChEMBL_320920 (CHEMBL881347)	Inhibition constant against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene
50016785	1	ChEMBL_321469 (CHEMBL880410)	Inhibition against glutathione S-transferase pi using GSH (0.1-3mM), 1 mM 1-chloro-2,4-dinitrobenzene
50016786	1	ChEMBL_321024 (CHEMBL882865)	Inhibition constant against plasmepsin-1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate
50016786	3	ChEMBL_321034 (CHEMBL883666)	Inhibition constant against pro-cathepsin D (50 ng/mL) of human liver upon incubation at pH 4.5 for 10 min using DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate
50016786	2	ChEMBL_321023 (CHEMBL882864)	Inhibition constant against plasmepsin-2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate
50016786	4	ChEMBL_320831 (CHEMBL871673)	Inhibition constant against plasmepsin-4 of Plasmodium falciparum
50045703	3	ChEMBL_1473486 (CHEMBL3419982)	Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay
50045703	4	ChEMBL_1473490 (CHEMBL3419986)	Inhibition of mouse recombinant IRAP using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence assay
50045703	5	ChEMBL_1473494 (CHEMBL3420177)	Inhibition of IRAP (unknown origin) expressed in CHO cells using L--leucine-p-nitroanilide as substrate after 6 to 12 hrs
50045704	1	ChEMBL_1474023 (CHEMBL3419994)	Binding affinity to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as dissociation constant after 5 to 120 mins by TR-FRET assay
50045704	2	ChEMBL_1474009 (CHEMBL3419769)	Binding affinity to V1bR (unknown origin) expressed in HEK293 cells by TR-FRET assay
50045704	3	ChEMBL_1474008 (CHEMBL3419768)	Binding affinity to V1aR (unknown origin) expressed in HEK293 cells by TR-FRET assay
50045704	4	ChEMBL_1474007 (CHEMBL3419767)	Binding affinity to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay
50045704	5	ChEMBL_1474005 (CHEMBL3419765)	Binding affinity to V2R (unknown origin)
50045704	6	ChEMBL_1474004 (CHEMBL3419764)	Binding affinity to V1bR (unknown origin)
50045704	7	ChEMBL_1474003 (CHEMBL3419763)	Binding affinity to V1aR (unknown origin)
50045704	8	ChEMBL_1474002 (CHEMBL3419762)	Binding affinity to OTR (unknown origin)
50016790	7	ChEMBL_321008 (CHEMBL872292)	Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH
50016790	8	ChEMBL_321127 (CHEMBL884982)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8
50016790	4	ChEMBL_321133 (CHEMBL872189)	Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.002-0.004 uM
50016790	6	ChEMBL_321009 (CHEMBL872293)	Inhibitory constant against thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH
50016790	3	ChEMBL_321130 (CHEMBL885040)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.76-2.2 uM
50016790	12	ChEMBL_321126 (CHEMBL884981)	Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8
50016790	2	ChEMBL_321131 (CHEMBL872069)	Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.16-0.51 uM
50016790	14	ChEMBL_321030 (CHEMBL883662)	Inhibitory constant against thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH; Range = 0.12-0.24 uM
50016790	10	ChEMBL_321129 (CHEMBL885039)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 h at 37 degree C and pH 7.8; Range = 0.69-3.2 uM
50016790	1	ChEMBL_321029 (CHEMBL883661)	Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH; Range = 0.27-0.37 uM
50016790	9	ChEMBL_321128 (CHEMBL885038)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.21-5.7 uM
50016790	11	ChEMBL_321134 (CHEMBL872190)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.011-0.052 uM
50016790	5	ChEMBL_321132 (CHEMBL872070)	Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expressed in HEK 293EM cells with CREB-luciferase reporter upon incubation with the compound for 6 hr at 37 degree C and pH 7.8; Range = 0.19-0.85 uM
50016790	13	ChEMBL_321032 (CHEMBL883664)	Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed in HEK 293EM cells upon incubation at 37 degree C for 1 hr at pH 7.4 using [3H]Ntau(1)-Me-His-TRH; Range = 0.001-0.003 uM
50016791	7	ChEMBL_326807 (CHEMBL860389)	Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation
50016791	2	ChEMBL_326810 (CHEMBL860331)	Inhibitory activity against Src
50016791	1	ChEMBL_326811 (CHEMBL860428)	Inhibitory activity against MK2
50045704	9	ChEMBL_1474010 (CHEMBL3419770)	Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay
50016791	6	ChEMBL_326808 (CHEMBL860398)	Inhibitory activity against MEK
50045704	10	ChEMBL_1474012 (CHEMBL3419772)	Agonist activity at wild type OTR (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
50045704	11	ChEMBL_1474013 (CHEMBL3419773)	Agonist activity at SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as intracellular calcium flux after 3 mins by fluorescence assay
50045704	12	ChEMBL_1474014 (CHEMBL3419774)	Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC by TR-FRET assay in presence of 5-(3-(22-(3-carboxy-4-(3-oxo-3H-xanthen-9-yl)phenyl)-15,22-dioxo-2,5,8,11-tetraoxa-14,21-diazadocosyl)-5-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridinium 2,2,2-trifluoroacetate
50045704	13	ChEMBL_1474015 (CHEMBL3419775)	Competitive binding to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells incubated for 1 hr at RT followed by 4 hrs at 4 degC by TR-FRET assay in presence of 2-(5-(3-(1-(5-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-4-(6-methoxypyridinium-3-yl)-4H-1,2,4-triazol-3-yl)-15-oxo-2,5,8,11-tetraoxa-14-azaoctadecan-18-yl)-1-ethyl-3-methyl-5-sulfoindolin-2-ylidene)penta-1,3-dienyl)-1-ethyl-3,3-dimethyl-3H-indolium-6-sulfonate 2,2,2-trifluoroacetate
50045704	14	ChEMBL_1474016 (CHEMBL3419776)	Competitive binding to oxytocin receptor (unknown origin) by radioligand binding assay
50045704	15	ChEMBL_1474018 (CHEMBL3419778)	Binding affinity to SNAP-tagged oxytocin receptor (unknown origin) expressed in HEK293 cells assessed as association constant after 5 to 120 mins by TR-FRET assay
50045704	16	ChEMBL_1474017 (CHEMBL3419777)	Competitive binding to human oxytocin receptor by radioligand binding assay
50045705	1	ChEMBL_1474026 (CHEMBL3419997)	Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liquid scintillation counting
50016793	3	ChEMBL_320716 (CHEMBL881702)	Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method
50016793	1	ChEMBL_320721 (CHEMBL881707)	Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method
50016793	2	ChEMBL_320715 (CHEMBL881701)	Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method
50016795	1	ChEMBL_322291 (CHEMBL885046)	Inhibitory concentration against Histone deacetylase 2 in maize
50045705	2	ChEMBL_1474027 (CHEMBL3419998)	Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liquid scintillation counting
50045706	1	ChEMBL_1473360 (CHEMBL3419320)	Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK cell membranes after 1 hr by scintillation proximity assay
50045706	2	ChEMBL_1473359 (CHEMBL3419319)	Displacement of [3H]-vasopressin from human vasopressin V2 receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay
50045706	3	ChEMBL_1473358 (CHEMBL3419318)	Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay
50045706	4	ChEMBL_1473356 (CHEMBL3419316)	Displacement of [3H]-vasopressin from human vasopressin 1b receptor after 1 hr by scintillation proximity assay
50045706	5	ChEMBL_1473355 (CHEMBL3419315)	Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay
50016798	2	ChEMBL_321550 (CHEMBL881964)	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 3
50016798	1	ChEMBL_321549 (CHEMBL881963)	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 2
50016798	5	ChEMBL_321548 (CHEMBL881962)	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1
50045707	1	ChEMBL_1473382 (CHEMBL3419342)	Inhibition of human NaV1.7 at -140 mV holding potential by whole-cell patch clamp assay
50045707	2	ChEMBL_1473381 (CHEMBL3419341)	Inhibition of human NaV1.8 at -140 mV holding potential by whole-cell patch clamp assay
50045707	3	ChEMBL_1473384 (CHEMBL3419344)	Inhibition of human NaV1.4 at -140 mV holding potential by whole-cell patch clamp assay
50045707	4	ChEMBL_1473383 (CHEMBL3419343)	Inhibition of human NaV1.5 at -140 mV holding potential by whole-cell patch clamp assay
50016802	1	ChEMBL_328424 (CHEMBL863965)	Inhibitory activity against recombinant DPP2
50016802	2	ChEMBL_328423 (CHEMBL863964)	Inhibitory activity against human DPP4
50045707	5	ChEMBL_1473385 (CHEMBL3419345)	Inhibition of human NaV1.3 at -140 mV holding potential by whole-cell patch clamp assay
50016806	1	ChEMBL_325855 (CHEMBL863242)	Inhibitory activity against aminopeptidase N (PepN) from Escherichia coli
50045707	6	ChEMBL_1473386 (CHEMBL3419346)	Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons at -140 mV holding potential by whole-cell patch clamp assay
50045707	7	ChEMBL_1473387 (CHEMBL3419347)	Inhibition of NaV1.7 in C57BL/6 mouse DRG neurons held at voltage yielding 20% inactivation and depolarized to -10 mV for 40 ms every 10 s by whole-cell patch clamp assay
50045707	8	ChEMBL_1473390 (CHEMBL3419350)	Inhibition of human NaV1.7 by patchXpress 700A electrophysiology method
50045707	9	ChEMBL_1473391 (CHEMBL3419351)	Inhibition of human NaV1.4 by patchXpress 700A electrophysiology method
50045707	10	ChEMBL_1473392 (CHEMBL3419352)	Inhibition of human NaV1.7 assessed as reduction in peak inward current at -10 mV by manual whole cell patch clamp electrophysiology method
50045708	1	ChEMBL_1473395 (CHEMBL3419512)	Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting
50045708	2	ChEMBL_1473398 (CHEMBL3419515)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay
50045709	1	ChEMBL_1473182 (CHEMBL3418234)	Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry
50016813	3	ChEMBL_320717 (CHEMBL881703)	Inhibitory activity against human Carbonic anhydrase I (hCA I)
50016813	1	ChEMBL_320720 (CHEMBL881706)	Inhibitory activity against human Carbonic anhydrase XII (hCA XII)
50016813	2	ChEMBL_320719 (CHEMBL881705)	Inhibitory activity against human Carbonic anhydrase IX (hCA IX)
50016813	4	ChEMBL_320718 (CHEMBL881704)	Inhibitory activity against human Carbonic anhydrase II (hCA II)
50016815	1	ChEMBL_320947 (CHEMBL882466)	Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor
50016816	1	ChEMBL_326985 (CHEMBL868744)	Inhibitory activity against recombinant CYP707A3 in Arabidopsis
50016817	2	ChEMBL_321454 (CHEMBL879484)	Binding affinity towards human Melanocortin 4 receptor using radiolabeled NDP-MSH displacement
50016817	1	ChEMBL_322133 (CHEMBL885192)	Effective concentration required for cAMP accumulation mediated by human Melanocortin 1 receptor in HEK293 cells
50016817	5	ChEMBL_321455 (CHEMBL879485)	Binding affinity towards human Melanocortin 5 receptor using radiolabeled NDP-MSH displacement
50016819	1	ChEMBL_326792 (CHEMBL860117)	Inhibitory activity against p38-alpha MAPK
50016824	2	ChEMBL_326878 (CHEMBL862979)	Inhibitory activity against human PNMT
50045710	1	ChEMBL_1471755 (CHEMBL3421347)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of Galphai1 subunit dissociation incubated for 5 mins by BRET assay
50016826	1	ChEMBL_321377 (CHEMBL881755)	Inhibitory concentration against Src protein tyrosine kinase SH2 domain
50016826	2	ChEMBL_320709 (CHEMBL881695)	Dissociation constant against Src protein tyrosine kinase SH2 domain
50045710	2	ChEMBL_1471754 (CHEMBL3421346)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated for 30 mins by TR-FRET assay
50045710	3	ChEMBL_1471753 (CHEMBL3421345)	Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by Cheng-Prusoff equation analysis
50045710	4	ChEMBL_1471758 (CHEMBL3421350)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of beta-arrestin-2 recruitment subunit dissociation incubated for 30 mins by BRET assay
50045710	5	ChEMBL_1471752 (CHEMBL3421344)	Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma counting method
50045710	6	ChEMBL_1471757 (CHEMBL3421349)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of beta-arrestin-1 recruitment subunit dissociation incubated for 30 mins by BRET assay
50045710	7	ChEMBL_1471756 (CHEMBL3421348)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as induction of GalphaoA subunit dissociation incubated for 5 mins by BRET assay
50016830	1	ChEMBL_325982 (CHEMBL869398)	Inhibition of mammalian ribonucleotide reductase (mRR)
50024778	2	ChEMBL_552153 (CHEMBL1008642)	Displacement of [3H2]F3-methyl AA from LXRalpha by scintillation proximity assay
50016832	3	ChEMBL_326601 (CHEMBL863375)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50016832	1	ChEMBL_326600 (CHEMBL863373)	Displacement of [3H]deltorphin II from delta opioid receptor in rat brain membrane
50016832	4	ChEMBL_326603 (CHEMBL863384)	Agonistic activity at delta opioid receptor in mouse vas deferens
50016832	2	ChEMBL_326605 (CHEMBL863386)	Agonistic activity against mu opioid receptor in guinea-pig ileum
50045711	1	ChEMBL_1471766 (CHEMBL3417877)	Displacement of FITC-BIM from recombinant N-terminal GST-tagged human BAX expressed in Escherichia coli after 30 mins by fluorescence polarization assay
50016834	2	ChEMBL_322432 (CHEMBL873554)	In vitro functional activity measured by changes in cytosolic [Ca2+] concentrations against rat metabotropic glutamate receptor 5
50016834	1	ChEMBL_320943 (CHEMBL882462)	Ability to displace [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from binding to metabotropic glutamate receptor 5 in rat cortical membranes
50016840	2	ChEMBL_326843 (CHEMBL860438)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50016840	1	ChEMBL_326845 (CHEMBL860440)	cAMP stimulation in HEK293 cells transfected with human MC4R
50016843	2	ChEMBL_326882 (CHEMBL863339)	Inhibitory activity of compound bound to streptavidin-conjugated quantum dots against human SERT transfected in HEK293 cells
50016843	1	ChEMBL_326881 (CHEMBL862988)	Inhibitory activity against human SERT transfected in HEK293 cells
50016844	1	ChEMBL_326768 (CHEMBL860114)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50016845	1	ChEMBL_326904 (CHEMBL871328)	Inhibitory activity against FKBP12
50016846	1	ChEMBL_326694 (CHEMBL868713)	Inhibitory activity against mouse 11beta-HSD1
50016846	3	ChEMBL_326693 (CHEMBL868712)	Inhibitory activity against human 11beta-HSD1
50016846	2	ChEMBL_326695 (CHEMBL868714)	Inhibitory activity against human 11beta-HSD2
50016846	4	ChEMBL_326696 (CHEMBL868715)	Inhibitory activity against mouse 11beta-HSD2
50045711	2	ChEMBL_1471767 (CHEMBL3417878)	Displacement of FITC-BIM from recombinant human Bcl-2 expressed in Escherichia coli after 30 mins by fluorescence polarization assay
50045711	3	ChEMBL_1471768 (CHEMBL3417879)	Displacement of FITC-BIM from recombinant human Bcl-XL expressed in Escherichia coli after 30 mins by fluorescence polarization assay
50045711	4	ChEMBL_1471897 (CHEMBL3420576)	Activation of Bax in human HuH7 cells assessed as inhibition of mitochondrial accumulation of fluorescent probe Mitotracker Red after 12 to 72 hrs by spectrophotometric analysis
50045712	1	ChEMBL_1471925 (CHEMBL3420840)	Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis
50045712	2	ChEMBL_1471926 (CHEMBL3420841)	Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimycin stimulation measured after 30 mins
50016848	7	ChEMBL_320830 (CHEMBL871672)	Binding affinity towards human DP receptor expressed in CHO cells
50016849	1	ChEMBL_321596 (CHEMBL883911)	Inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate upon incubating for 40 min at 25 degree C, pH 7.2 with compound dissolved in DMSO
50016850	1	ChEMBL_321480 (CHEMBL880421)	Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus
50016850	4	ChEMBL_321229 (CHEMBL881229)	Inhibitory activity against Fibroblast growth factor receptor 3
50016850	2	ChEMBL_323029 (CHEMBL873572)	Inhibitory concentration against c-Kit D816V type expressed in recombinant baculovirus
50016850	3	ChEMBL_321286 (CHEMBL856815)	Inhibitory activity against Platelet-derived growth factor receptor alpha
50016852	2	ChEMBL_320731 (CHEMBL880876)	Dissociation constant for Retinoid X receptor alpha
50016852	1	ChEMBL_320732 (CHEMBL880877)	Dissociation constant for Retinoic acid receptor gamma
50016853	1	ChEMBL_320933 (CHEMBL882452)	Binding affinity for 5-HT4 receptor using [3H]GR-113808
50045712	3	ChEMBL_1471928 (CHEMBL3420843)	Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins
50045712	4	ChEMBL_1471929 (CHEMBL3420844)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins
50045712	5	ChEMBL_1471933 (CHEMBL3420848)	Inhibition of FLAP in calcimycin-stimulated mouse whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimycin stimulation measured after 30 mins
50045712	6	ChEMBL_1471935 (CHEMBL3420850)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mins
50045713	1	ChEMBL_1472104 (CHEMBL3418381)	Displacement of [3H]CP55940 from human CB1 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry
50045713	2	ChEMBL_1472105 (CHEMBL3418382)	Displacement of [3H]CP55940 from human CB2 receptor transfected in HEK293 cells after 90 mins by liquid scintillation spectrophotometry
50045714	1	ChEMBL_1472592 (CHEMBL3417957)	Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay
50045714	2	ChEMBL_1472593 (CHEMBL3417958)	Displacement of fluorescent labeled NOXA peptide from recombinant human MCL1 by fluorescence polarization assay in presence of 1% human serum
50045714	3	ChEMBL_1472594 (CHEMBL3417959)	Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay
50045714	4	ChEMBL_1472595 (CHEMBL3417960)	Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay
50016860	5	ChEMBL_320825 (CHEMBL872360)	Binding affinity for mGluR1 receptor expressed in CHO cells
50016860	2	ChEMBL_321101 (CHEMBL882071)	Effective concentration against mGluR4 receptor expressed in CHO cells
50016860	3	ChEMBL_321100 (CHEMBL882070)	Effective concentration against mGluR2 receptor expressed in CHO cells
50016860	1	ChEMBL_320827 (CHEMBL872362)	Binding affinity for mGluR4 receptor expressed in CHO cells
50016860	9	ChEMBL_321099 (CHEMBL882069)	Effective concentration against mGluR1 receptor expressed in CHO cells
50016860	6	ChEMBL_320826 (CHEMBL872361)	Binding affinity for mGluR2 receptor expressed in CHO cells
50045714	5	ChEMBL_1472596 (CHEMBL3417961)	Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serum
50045714	6	ChEMBL_1472597 (CHEMBL3417962)	Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from BCL2 (unknown origin) after 1 hr by TR-FRET assay
50045714	7	ChEMBL_1472598 (CHEMBL3417963)	Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from BCL-XL (unknown origin) after 1 hr by TR-FRET assay
50045714	8	ChEMBL_1472599 (CHEMBL3417964)	Inhibition of BCL-W (unknown origin) after 1 hr by TR-FRET assay
50045714	9	ChEMBL_1472600 (CHEMBL3417965)	Inhibition of BCL2-A1 (unknown origin) after 1 hr by TR-FRET assay
50045714	10	ChEMBL_1472606 (CHEMBL3417971)	Displacement of fluorescent labeled NOXA peptide from recombinant MCL1 (unknown origin) after 15 mins by fluorescence polarization assay
50045714	11	ChEMBL_1472607 (CHEMBL3417972)	Inhibition of BCL-XL (unknown origin) by fluorescence polarization assay
50045714	12	ChEMBL_1472608 (CHEMBL3417973)	Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay
50045715	1	ChEMBL_1472610 (CHEMBL3417975)	Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting
50045715	2	ChEMBL_1472611 (CHEMBL3417976)	Inhibition of rat GAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake by liquid scintillation counting
50045716	1	ChEMBL_1472742 (CHEMBL3419052)	Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay
50045716	2	ChEMBL_1472743 (CHEMBL3419053)	Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay
50045716	3	ChEMBL_1472762 (CHEMBL3419072)	Inhibition of human ERG channel after 2 hrs by fluorescence polarization assay
50016867	1	ChEMBL_321515 (CHEMBL880575)	Inhibitory concentration against soybean lipoxygenase upon incubation with sodium linoleate (0.1 mM) at RT
50045716	4	ChEMBL_1472771 (CHEMBL3419081)	Inhibition of human ERG channel by patch clamp technique
50016870	1	ChEMBL_321616 (CHEMBL872316)	Inhibitory concentration against human recombinant adenosine kinase using [14C]AMP as radioligand
50016871	2	ChEMBL_321566 (CHEMBL882595)	Inhibitory concentration against human leukotriene B4 receptor using competing agent [111In]-(17)] as radioligand in pH 7.2 buffer, for 1 hr at 37 degree C; (n=2)
50016871	4	ChEMBL_321559 (CHEMBL881668)	Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 h at 37 degree C; (n=2)
50016871	1	ChEMBL_321560 (CHEMBL881669)	Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer upon incubation for 1 hr at 37 degree C; (n=4)
50016871	3	ChEMBL_321546 (CHEMBL881484)	Inhibitory concentration against human leukotriene B4 receptor using competing agent [3H]-LTB4 as radioligand in pH 7.2 buffer, for 1 hr at 37 degree C
50016874	1	ChEMBL_320914 (CHEMBL881341)	In vitro binding affinity for rat histamine H3 receptor using [3H]N-alpha-methylhistamine
50016874	2	ChEMBL_320916 (CHEMBL881343)	In vitro binding affinity for human histamine H3 receptor using [3H]N-alpha-methylhistamine
50045717	1	ChEMBL_1470427 (CHEMBL3418961)	Inhibition of bovine brain tubulin polymerization incubated for 60 mins by microplate reader based turbidimetry
50045718	1	ChEMBL_1470553 (CHEMBL3419779)	Binding affinity to GST-tagged PH domain of AKT (unknown origin) by surface Plasmon resonance spectroscopy
50045718	2	ChEMBL_1470574 (CHEMBL3419800)	Binding affinity to GST-tagged PH domain of PHLPP1 (unknown origin) by surface Plasmon resonance spectroscopy
50045718	3	ChEMBL_1470575 (CHEMBL3419801)	Binding affinity to GST-tagged PH domain of PDK1 (unknown origin) by surface Plasmon resonance spectroscopy
50045718	4	ChEMBL_1470576 (CHEMBL3419802)	Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy
50045719	1	ChEMBL_1470724 (CHEMBL3420730)	Inhibition of BACE1 in human H4 cells overexpressing APP695 assessed as sAPPbeta level after 18 hrs by ELISA
50045719	2	ChEMBL_1470596 (CHEMBL3420009)	Inhibition of CatD (unknown origin) by fluorescence polarization assay
50045719	3	ChEMBL_1470595 (CHEMBL3420008)	Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon Green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
50045719	4	ChEMBL_1470728 (CHEMBL3420734)	Inhibition of CYP2D6 (unknown origin)
50045720	1	ChEMBL_1470754 (CHEMBL3420983)	Inhibition of cIAP1 BIR3 (154 to 352 residues) (unknown origin) by fluoresceinated dimeric SMAC peptide based fluorescence polarization assay
50045720	2	ChEMBL_1470753 (CHEMBL3420982)	Inhibition of XIAP BIR3 (241 to 356 residues) (unknown origin) incubated for 60 mins by fluoresceinated modified SMAC peptide based fluorescence polarization assay
50016876	1	ChEMBL_321429 (CHEMBL880237)	Inhibitory concentration against human cyclooxygenase-2 evaluated by enzyme linked immunosorbent assay
50045720	3	ChEMBL_1470755 (CHEMBL3420984)	Inhibition of XIAP BIR2-3 (124 to 356 residues) C202A/C213G mutant (unknown origin) in human THP1 cells using fluoresceinated caspase-3 substrate by caspase-3 rescue assay
50016877	1	ChEMBL_326560 (CHEMBL863286)	Inhibitory activity towards human SGLT2 expressed in CHO-K1 cells
50016877	2	ChEMBL_326559 (CHEMBL863284)	Inhibitory activity towards human SGLT1 expressed in CHO-K1 cells
50016878	4	ChEMBL_326667 (CHEMBL868730)	Inhibitory activity against FLT3 kinase in a HTRF assay
50016878	1	ChEMBL_326666 (CHEMBL868729)	Inhibitory activity against Aurora A kinase
50016878	3	ChEMBL_326669 (CHEMBL867552)	Inhibitory activity against KDR
50045720	4	ChEMBL_1470757 (CHEMBL3420986)	Inhibition of cIAP1 BIR2-3 (154 to 352 residues) (unknown origin) fluoresceinated dimeric SMAC peptide based fluorescence polarization assay
50045720	5	ChEMBL_1470756 (CHEMBL3420985)	Inhibition of XIAP BIR2-3 (125 to 356 residues) C202A/C213G mutant (unknown origin) fluoresceinated dimeric SMAC peptide based fluorescence polarization assay
50045721	1	ChEMBL_1470882 (CHEMBL3418290)	Inhibition of HGF-stimulated c-Met autophosphorylation in serum starved human PC3 cells pre-incubated for 1 hr followed by human recombinant HGF stimulation for 10 mins by quantitative electrochemiluminescence immunoassay
50045721	2	ChEMBL_1470881 (CHEMBL3418289)	Inhibition of recombinant c-Met kinase domain (unknown origin) incubated for 30 mins using gastrin peptide substrate by HTRF assay
50045722	1	ChEMBL_1471045 (CHEMBL3420490)	Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells
50045722	2	ChEMBL_1471048 (CHEMBL3420493)	Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase activity
50045722	3	ChEMBL_1471049 (CHEMBL3420494)	Agonist activity at human recombinant adenosine A2A receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity
50045722	4	ChEMBL_1471050 (CHEMBL3420495)	Agonist activity at human recombinant adenosine A2B receptor transfected in CHO cells assessed as induction of adenylyl cyclase activity
50016881	1	ChEMBL_326719 (CHEMBL858717)	Inhibition of PfENR enzymatic activity
50016882	2	ChEMBL_326953 (CHEMBL853292)	Inhibition of activated human MEK1 in MEK-ERK coupling assay
50016883	1	ChEMBL_326856 (CHEMBL860455)	Inhibitory activity against IMPDH II
50016884	1	ChEMBL_325957 (CHEMBL863455)	Inhibitory activity against human thrombin by amidolytic assay using chromogenic S-2238 substrate
50016885	1	ChEMBL_326854 (CHEMBL860451)	Antagonist activity against human MCH1 receptor
50016885	2	ChEMBL_326855 (CHEMBL860452)	Antagonist activity against human MCH2 receptor
50045722	5	ChEMBL_1471051 (CHEMBL3420496)	Antagonist activity at human recombinant adenosine A3 receptor transfected in CHO cells assessed as reversal of NECA-induced inhibition of forskolin-induced adenylyl cyclase activity
50045722	6	ChEMBL_1471043 (CHEMBL3420488)	Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells
50016887	2	ChEMBL_326653 (CHEMBL870558)	Displacement of [3H]Citalopram from human SERT
50016887	3	ChEMBL_326652 (CHEMBL870557)	Displacement of [3H]WIN-35428 from human DAT
50016887	1	ChEMBL_326654 (CHEMBL870559)	Displacement of [3H]nisoxetine from human NET
50045722	7	ChEMBL_1471044 (CHEMBL3420489)	Displacement of [3H]-NECA from human recombinant adenosine A2A receptor transfected in CHO cells
50016890	1	ChEMBL_326589 (CHEMBL863448)	Inhibitory activity against human farnesyltransferase
50016890	2	ChEMBL_326590 (CHEMBL863449)	Inhibitory activity in COS cell Ha-Ras processing assay
50016891	1	ChEMBL_326975 (CHEMBL868738)	Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation
50016891	2	ChEMBL_326976 (CHEMBL868739)	Agonist activity in HEK293 cells transfected with human MC1R by cAMP accumulation
50016892	1	ChEMBL_326797 (CHEMBL860146)	Binding affinity to human MCHr1 from neuronal IMR32 cells
50016892	2	ChEMBL_326798 (CHEMBL860147)	Functional antagonism of MCH-mediated calcium release by FLIPR using human MCHr1 from neuronal IMR32 cells
50016893	2	ChEMBL_325825 (CHEMBL863237)	Inhibition of binding to recombinant human ERbeta by scintillation proximity assay
50016893	1	ChEMBL_325824 (CHEMBL863236)	Inhibition of binding to recombinant human ERalpha by scintillation proximity assay
50016894	2	ChEMBL_326932 (CHEMBL854323)	Inhibition of Src-transfected 3T3 cell proliferation
50016894	3	ChEMBL_326931 (CHEMBL863346)	Inhibitory activity against KDR
50016894	1	ChEMBL_326930 (CHEMBL863345)	Inhibitory activity against c-Src kinase
50016895	1	ChEMBL_325672 (CHEMBL863226)	Agonistic activity at kappa opioid receptor
50016895	4	ChEMBL_325677 (CHEMBL863231)	Inhibitory activity against CYP2D6
50016895	3	ChEMBL_325673 (CHEMBL863227)	Agonistic activity at mu opioid receptor
50016896	1	ChEMBL_326591 (CHEMBL862987)	Inhibitory activity against HIV1 protease
50045723	1	ChEMBL_1471054 (CHEMBL3420499)	Inhibition of Human MetAP1b using Met-pNA as substrate
50045724	1	ChEMBL_1471065 (CHEMBL3420510)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membrane by liquid scintillation spectrometry
50045725	1	ChEMBL_1471243 (CHEMBL3418336)	Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled dUTP incorporation into DNA using poly(A) x oligo(dT)15 as template/primer after 1 hr by ELISA
50045726	1	ChEMBL_1471245 (CHEMBL3418338)	Inhibition of human CYP11B2 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method
50045726	2	ChEMBL_1471246 (CHEMBL3418339)	Inhibition of human CYP11B1 expressed in V79 MZh cells using [14C]-deoxycorticosterone substrate incubated for 6 hrs by HPTLC method
50045726	3	ChEMBL_1471251 (CHEMBL3418344)	Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione substrate
50016901	1	ChEMBL_326924 (CHEMBL854316)	Displacement of DNSA from CAII in bovine erythrocytes
50016902	1	ChEMBL_326929 (CHEMBL854322)	Inhibitory activity against actin assembly in xenopus by polymerisation assay
50045726	4	ChEMBL_1471252 (CHEMBL3418345)	Inhibition of human CYP17 expressed in Escherichia coli coexpressing human CYP17 and NADPH-P450 reductase
50045726	5	ChEMBL_1471253 (CHEMBL3418346)	Inhibition of human recombinant CYP1A2 using phenacetin substrate by LC-MS/MS method
50045726	6	ChEMBL_1471254 (CHEMBL3418347)	Inhibition of human recombinant CYP2C9 using diclofenac substrate by LC-MS/MS method
50045726	7	ChEMBL_1471255 (CHEMBL3418554)	Inhibition of human recombinant CYP2C19 using smephenytoin substrate by LC-MS/MS method
50045726	8	ChEMBL_1471256 (CHEMBL3418555)	Inhibition of human recombinant CYP2D6 using bufuralol substrate by LC-MS/MS method
50045726	9	ChEMBL_1471375 (CHEMBL3419223)	Inhibition of human recombinant CYP3A4 using midazolam substrate by LC-MS/MS method
50011229	1	ChEMBL_1471376 (CHEMBL3419224)	Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay
50011229	2	ChEMBL_1471377 (CHEMBL3419225)	Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated peptide measured after 30 mins by AlphaScreen assay
50000418	1	ChEMBL_1998145 (CHEMBL4650002)	Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay
50016906	10	ChEMBL_326962 (CHEMBL853297)	Inhibitory activity against human FXa
50016906	3	ChEMBL_326966 (CHEMBL853302)	Binding affinity to plasma kallikrein
50016906	8	ChEMBL_326972 (CHEMBL859773)	Binding affinity to plasmin
50016906	11	ChEMBL_326970 (CHEMBL871355)	Binding affinity to chymotrypsin
50016906	9	ChEMBL_326971 (CHEMBL859772)	Binding affinity to urokinase
50016906	4	ChEMBL_326967 (CHEMBL871340)	Binding affinity to activated protein C
50000418	2	ChEMBL_1998152 (CHEMBL4650009)	Alphascreen assay. Binding to BRD9A (domain start/stop: L14-Q143) by alphascreen assay
50016906	1	ChEMBL_326968 (CHEMBL871348)	Binding affinity to factor IXa
50016906	7	ChEMBL_326973 (CHEMBL859774)	Binding affinity to tPA
50016906	6	ChEMBL_326965 (CHEMBL853301)	Binding affinity to thrombin
50016906	2	ChEMBL_326969 (CHEMBL871352)	Binding affinity to factor VIIa
50000418	3	ChEMBL_1998154 (CHEMBL4650011)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50016908	1	ChEMBL_326806 (CHEMBL860303)	Inhibitory activity against CDK2
50016908	2	ChEMBL_326805 (CHEMBL860299)	Inhibitory activity against GSK3-beta
50000418	4	ChEMBL_1998156 (CHEMBL4650013)	Alphascreen assay. Binding to BRPF3A (domain start/stop: L591-P711) by alphascreen assay
50011230	1	ChEMBL_1998147 (CHEMBL4650004)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011230	2	ChEMBL_1998148 (CHEMBL4650005)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011230	3	ChEMBL_1998149 (CHEMBL4650006)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011230	4	ChEMBL_1998150 (CHEMBL4650007)	Alphascreen assay. Binding to BRD9A (domain start/stop: L14-Q143) by alphascreen assay
50011230	5	ChEMBL_1998151 (CHEMBL4650008)	Alphascreen assay. Binding to BRD9A (domain start/stop: L14-Q143) by alphascreen assay
50011230	6	ChEMBL_1998154 (CHEMBL4650011)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50011230	7	ChEMBL_1998157 (CHEMBL4650014)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-D543) by alphascreen assay
50011230	8	ChEMBL_1998158 (CHEMBL4650015)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-D543) by alphascreen assay
50011230	9	ChEMBL_1998159 (CHEMBL4650016)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-H538) by alphascreen assay
50011230	10	ChEMBL_1998160 (CHEMBL4650017)	Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay
50011230	11	ChEMBL_1998337 (CHEMBL4650194)	Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: N44-E168
50011230	12	ChEMBL_1998338 (CHEMBL4650195)	Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: L14-Q143
50011230	13	ChEMBL_1998339 (CHEMBL4650196)	Reverse ITC (compound as receptor). Domain start/stop: H1769-Q1872
50011230	14	ChEMBL_1998340 (CHEMBL4650197)	Reverse ITC (compound as receptor). Domain start/stop: E556-A688
50011230	15	ChEMBL_1998341 (CHEMBL4650198)	Reverse ITC (compound as receptor). Domain start/stop: E348-D455
50011230	16	ChEMBL_1998342 (CHEMBL4650199)	Reverse ITC (compound as receptor). Domain start/stop: N21-E137
50011230	17	ChEMBL_1998343 (CHEMBL4650200)	Reverse ITC (compound as receptor). Domain start/stop: S257-E382
50011230	18	ChEMBL_1998344 (CHEMBL4650201)	Reverse ITC (compound as receptor). Domain start/stop: L591-P711
50011230	19	ChEMBL_1998345 (CHEMBL4650202)	Reverse ITC (compound as receptor). Domain start/stop: P420-D543
50011230	20	ChEMBL_1998346 (CHEMBL4650203)	Reverse ITC (compound as receptor). Domain start/stop: S2791-H2911
50011230	21	ChEMBL_1998347 (CHEMBL4650204)	Reverse ITC (compound as receptor). Domain start/stop: S613-D734
50045728	1	ChEMBL_1471415 (CHEMBL3419422)	Inhibition of human carbonic anhydrase 2 assessed as reduction in enzyme activity incubated for 30 mins by fluorescence polarization assay
50045728	2	ChEMBL_1471414 (CHEMBL3419421)	Binding affinity to human carbonic anhydrase 2 incubated for 1 hr using labeled BODIPY558/568-acetazolamide as tracer by fluorescence polarization tight binding assay
50045729	1	ChEMBL_1471515 (CHEMBL3420078)	Inhibition of 17 beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]E1 to [14C]E2 after overnight incubation
50045730	1	ChEMBL_1471539 (CHEMBL3420274)	Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry
50045730	2	ChEMBL_1471538 (CHEMBL3420101)	Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry
50045731	1	ChEMBL_1471541 (CHEMBL3420276)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate
50045731	2	ChEMBL_1471542 (CHEMBL3420277)	Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate
50045731	3	ChEMBL_1471609 (CHEMBL3420550)	Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate
50045731	4	ChEMBL_1471540 (CHEMBL3420275)	Inhibition of HDAC6 in human A549 cells assessed as induction of tubulin acetylation after 17 to 18 hrs by ELISA
50045731	5	ChEMBL_1471625 (CHEMBL3420784)	Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50045731	6	ChEMBL_1471626 (CHEMBL3420785)	Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50045731	7	ChEMBL_1471627 (CHEMBL3420786)	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50045731	8	ChEMBL_1471628 (CHEMBL3420787)	Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50045731	9	ChEMBL_1471629 (CHEMBL3420788)	Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50045732	1	ChEMBL_1471666 (CHEMBL3420825)	Inhibition of AChE (unknown origin)
50045733	1	ChEMBL_1472325 (CHEMBL3419675)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes
50016912	3	ChEMBL_329075 (CHEMBL862999)	Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5
50016912	1	ChEMBL_329077 (CHEMBL863001)	Inhibition of CXCL11-induced CXCR3 mediated T-cell migration
50016912	2	ChEMBL_329076 (CHEMBL863000)	Inhibition of CXCL10 (IP-10)-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5
50016913	1	ChEMBL_326588 (CHEMBL863371)	Binding affinity to P2Y12 receptor expressed in human platelets from 0.047 to 50 nM
50016917	15	ChEMBL_328615 (CHEMBL864487)	Inhibitory activity against lck
50016917	10	ChEMBL_328634 (CHEMBL863870)	Inhibitory activity against lyn
50016917	1	ChEMBL_328645 (CHEMBL863894)	Inhibitory activity against MK2
50016917	7	ChEMBL_328632 (CHEMBL863883)	Inhibitory activity against fgr
50016917	21	ChEMBL_328649 (CHEMBL863898)	Inhibitory activity against Syk
50016917	14	ChEMBL_328616 (CHEMBL864488)	Inhibitory activity against fyn
50016917	16	ChEMBL_328639 (CHEMBL863888)	Inhibitory activity against IRAK4
50016917	17	ChEMBL_328648 (CHEMBL863897)	Inhibitory activity against COT
50016917	12	ChEMBL_328635 (CHEMBL863871)	Inhibitory activity against tie2
50016917	5	ChEMBL_328631 (CHEMBL863882)	Inhibitory activity against src
50016917	22	ChEMBL_328636 (CHEMBL863885)	Inhibitory activity against kdr
50016917	19	ChEMBL_328647 (CHEMBL863896)	Inhibitory activity against TYK2
50016917	18	ChEMBL_328638 (CHEMBL863887)	Inhibitory activity against IKK2
50045733	2	ChEMBL_1472326 (CHEMBL3419676)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes incubated for 15 mins
50045733	3	ChEMBL_1472327 (CHEMBL3419677)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes incubated for 30 mins
50045733	4	ChEMBL_1472328 (CHEMBL3419678)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes incubated for 60 mins
50045733	5	ChEMBL_1472329 (CHEMBL3419679)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes incubated for 90 mins
50016917	6	ChEMBL_328641 (CHEMBL863890)	Inhibitory activity against JAK3
50016917	9	ChEMBL_328642 (CHEMBL863891)	Inhibitory activity against ZAP70
50045733	6	ChEMBL_1472331 (CHEMBL3419681)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins
50016917	3	ChEMBL_328643 (CHEMBL863892)	Inhibitory activity against ITK
50016917	8	ChEMBL_328633 (CHEMBL863884)	Inhibitory activity against hck
50016918	1	ChEMBL_326940 (CHEMBL854328)	Inhibitory activity against cathepsin L
50016919	1	ChEMBL_328904 (CHEMBL858783)	Inhibitory activity against recombinant CDC25C
50045733	7	ChEMBL_1472333 (CHEMBL3419683)	Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins
50045733	8	ChEMBL_1472323 (CHEMBL3419673)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes
50016920	2	ChEMBL_328833 (CHEMBL859852)	Ability to inhibit domoic acid-induced increase of calcium in rat HEK293 cells expressing GluR5
50016921	9	ChEMBL_328344 (CHEMBL864559)	Inhibitory activity against COT
50016921	5	ChEMBL_328337 (CHEMBL864552)	Inhibitory activity against Plk1
50016921	6	ChEMBL_328336 (CHEMBL864551)	Inhibitory activity against KDR
50016921	3	ChEMBL_328338 (CHEMBL864553)	Inhibitory activity against Pak4
50045733	9	ChEMBL_1472324 (CHEMBL3419674)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes
50016921	8	ChEMBL_328343 (CHEMBL864558)	Inhibitory activity against MK2
50016921	7	ChEMBL_328342 (CHEMBL864557)	Inhibitory activity against p38alpha
50016921	1	ChEMBL_328340 (CHEMBL864555)	Inhibitory activity against Akt1
50045734	1	ChEMBL_1472453 (CHEMBL3420606)	Inhibition of FLT3 (unknown origin) using FAM-EPLYWSFPA as substrate preincubated for 60 mins followed by substrate addition by microfluidics assay in presence of 190 uM ATP
50016922	3	ChEMBL_328596 (CHEMBL864485)	Inhibitory activity against VEGFR2 kinase
50045735	2	ChEMBL_1472475 (CHEMBL3420628)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubated for 10 mins in presence of arachidonic acid by RP-HPLC based cell-free assay
50016922	2	ChEMBL_328598 (CHEMBL863866)	Inhibitory activity against flt kinase
50016923	2	ChEMBL_328557 (CHEMBL869428)	Activity against PPAR-alpha
50016923	1	ChEMBL_328558 (CHEMBL869429)	Activity against PPAR-delta
50016925	3	ChEMBL_328773 (CHEMBL864517)	Binding affinity to 5HT1A
50016925	1	ChEMBL_328775 (CHEMBL864519)	Binding affinity to dopamine D2 receptor
50016925	4	ChEMBL_328774 (CHEMBL864518)	Binding affinity to dopamine D1 receptor
50045735	4	ChEMBL_1472471 (CHEMBL3420624)	Inhibition of human 5-LOX by cell free assay
50016926	2	ChEMBL_326952 (CHEMBL853285)	Inhibitory activity against Caspase 8
50016926	1	ChEMBL_326951 (CHEMBL854333)	Inhibitory activity against Caspase 3
50016926	3	ChEMBL_326950 (CHEMBL860329)	Inhibitory activity against Caspase 1
50016927	1	ChEMBL_326644 (CHEMBL863377)	Inhibition of intracellular calcium release in human TT cells containing calcium-sensing receptor by FLIPR
50016927	2	ChEMBL_326645 (CHEMBL870549)	Inhibition of extracellular calcium-induced inositol triphosphate generation in rat MTC cells expressing calcium-sensing receptor
50016928	1	ChEMBL_326981 (CHEMBL860145)	Inhibitory activity against K-Ras farnesyl transferase
50016929	1	ChEMBL_326622 (CHEMBL863381)	Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells
50016929	2	ChEMBL_326623 (CHEMBL868723)	Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells
50016929	4	ChEMBL_326627 (CHEMBL868727)	Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter
50016929	3	ChEMBL_326625 (CHEMBL868725)	Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter
50016930	1	ChEMBL_326945 (CHEMBL853286)	Inhibitory activity against Co(II) form of Escherichia coli MetAP
50016930	2	ChEMBL_326948 (CHEMBL853290)	Inhibitory activity against Fe(II) form of Escherichia coli MetAP
50016930	3	ChEMBL_326947 (CHEMBL853289)	Inhibitory activity against Ni(II) form of Escherichia coli MetAP
50016930	4	ChEMBL_326946 (CHEMBL853287)	Inhibitory activity against Mn(II) form of Escherichia coli MetAP
50016931	3	ChEMBL_326565 (CHEMBL859776)	Displacement of [35S]GTP-gamma-S from human recombinant 5HT1A receptor
50016931	4	ChEMBL_326566 (CHEMBL859777)	Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR
50016931	1	ChEMBL_326577 (CHEMBL863366)	Inhibitory activity against 5HT2C receptor
50016931	8	ChEMBL_326580 (CHEMBL863369)	Inhibitory activity against dopamine D3 receptor
50016931	11	ChEMBL_326579 (CHEMBL863368)	Inhibitory activity against 5HT7 receptor
50016931	10	ChEMBL_326568 (CHEMBL859779)	Binding affinity for rat 5HT1A receptor
50016931	7	ChEMBL_326569 (CHEMBL859780)	Binding affinity for rat 5HT1B receptor
50016931	9	ChEMBL_326581 (CHEMBL863370)	Inhibitory activity against dopamine D2(long) receptor
50016931	2	ChEMBL_326578 (CHEMBL863367)	Inhibitory activity against 5HT5A receptor
50016931	5	ChEMBL_326576 (CHEMBL863365)	Inhibitory activity against 5HT2A receptor
50045735	6	ChEMBL_1472484 (CHEMBL3420873)	Inhibition of human mPGES1
50045735	7	ChEMBL_1472482 (CHEMBL3420871)	Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 synthase activity after 15 mins using PGH2 substrate by RP-HPLC method
50045736	1	ChEMBL_1472499 (CHEMBL3420888)	Inhibition of CDC2 kinase (unknown origin) using histone H1 and [32P]-ATP
50045737	1	ChEMBL_1472636 (CHEMBL3418205)	Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by luminescence assay
50045737	2	ChEMBL_1472635 (CHEMBL3418204)	Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by luminescence assay
50045737	3	ChEMBL_1472633 (CHEMBL3418202)	Inhibition of human recombinant LSD1 expressed in Escherichia coli using methylated H3K4peptide as substrate incubated for 15 mins prior to substrate addition measured for 12 mins by amplex red staining-based fluorescence assay
50045737	4	ChEMBL_1472632 (CHEMBL3418201)	Inhibition of LSD1 (unknown origin)
50045738	1	ChEMBL_1472645 (CHEMBL3418214)	Inhibition of EGFR (unknown origin) after 40 mins by scintillation proximity assay
50045738	2	ChEMBL_1472644 (CHEMBL3418213)	Inhibition of EGFR (unknown origin) using Poly(Glu:Tyr) 4:1 as substrate after 12 to 16 hrs
50045738	3	ChEMBL_1472643 (CHEMBL3418212)	Inhibition of human GST-tagged EGFR expressed in baculovirus-infected insect Sf9 cells using biotinylating polyGluTyr as substrate after 1 hr by scintillation counting analysis in presence of [gamma-33P]-ATP
50045738	4	ChEMBL_1472642 (CHEMBL3418211)	Inhibition of EGFR (unknown origin) by Z'-LYTE assay
50016933	4	ChEMBL_321363 (CHEMBL881507)	Inhibitory concentration against protein-tyrosine phosphatase 1B by PNPP enzyme assay
50016933	3	ChEMBL_321222 (CHEMBL880231)	Inhibitory concentration against protein-tyrosine phosphatase
50016933	1	ChEMBL_320828 (CHEMBL871670)	Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay
50016933	2	ChEMBL_321250 (CHEMBL881785)	Inhibitory concentration against T cell protein tyrosine phosphatase
50016934	2	ChEMBL_321297 (CHEMBL881393)	Inhibitory concentration against GSTP1-1 over-expressed in MCF-7piGST cells
50016934	3	ChEMBL_321287 (CHEMBL856816)	Inhibitory concentration against GSTP1-1 over-expressed in MCF-7piGST cells
50016934	1	ChEMBL_321271 (CHEMBL881896)	Inhibitory concentration against GSTP1-1 over-expressed in MCF7wt cells
50016935	2	ChEMBL_320812 (CHEMBL872347)	Binding affinity towards (MMP-1) matrix metalloprotease-1
50016935	1	ChEMBL_321355 (CHEMBL881499)	Inhibitory concentration against (MMP-1) matrix metalloprotease-1
50045739	1	ChEMBL_1472646 (CHEMBL3418215)	Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method
50045739	2	ChEMBL_1472647 (CHEMBL3418414)	Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's method
50045740	1	ChEMBL_1472811 (CHEMBL3419311)	Agonist activity at pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as receptor activation incubated for 19 hrs by pGL3-5XUAS-SV40 luciferase reporter gene assay
50045740	2	ChEMBL_1472810 (CHEMBL3419310)	Antagonist activity against pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as inhibition of GW501516-induced receptor activation incubated for 19 hrs by pGL3-5XUAS-SV40 luciferase reporter gene assay
50045740	3	ChEMBL_1472809 (CHEMBL3419309)	Binding affinity to N-terminal hexa-histidine tagged and fluorescein-labeled human PPAR-beta/delta (164 to 441 residues) expressed in Escherichia coli BL21-DE3 incubated for 1 hr by fluorescence anisotropy
50045741	1	ChEMBL_1472815 (CHEMBL3419477)	Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V1a receptor transfected in CHO cell membranes
50045741	2	ChEMBL_1472817 (CHEMBL3419479)	Displacement of [3H]-(Arg8)-vasopressin from human vasopressin V2 receptor transfected in CHO cell membranes
50045742	1	ChEMBL_1472822 (CHEMBL3419484)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
50045742	2	ChEMBL_1472820 (CHEMBL3419482)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
50045742	3	ChEMBL_1472827 (CHEMBL3419489)	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method
50016945	1	ChEMBL_329126 (CHEMBL863425)	Displacement of [3H]nisoxetine from NET in rat caudate-putamen
50016945	3	ChEMBL_329124 (CHEMBL863423)	Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex
50016945	2	ChEMBL_329125 (CHEMBL863424)	Displacement of [3H]GBR-12935 from DAT in rat frontoparietal cerebral cortex
50016946	2	ChEMBL_326942 (CHEMBL860291)	Antagonistic potency at TLR2 expressed in HEK293 cells
50016946	1	ChEMBL_326943 (CHEMBL854334)	Antagonistic potency at human TLR4 expressed in HEK293 cells
50016947	1	ChEMBL_329112 (CHEMBL863428)	Displacement of [125I]TARC from human CCR4 receptor transfected in HEK293 cells
50016947	3	ChEMBL_329114 (CHEMBL863430)	Inhibition of chemotaxis of murine CCR4 transfected L1.2 cells
50016947	2	ChEMBL_329115 (CHEMBL863431)	Calcium mobilization mediated by CCR4 receptor in CEMS529 cells by FLIPR
50045742	4	ChEMBL_1472824 (CHEMBL3419486)	Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting method
50045742	5	ChEMBL_1472825 (CHEMBL3419487)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of [3H]cAMP levels by scintillation counting method
50045742	6	ChEMBL_1472819 (CHEMBL3419481)	Binding affinity to human adenosine A2A receptor
50016951	4	ChEMBL_328176 (CHEMBL863942)	Inhibitory activity against MPTPA
50016951	3	ChEMBL_328174 (CHEMBL863940)	Inhibitory activity against Cdc25A phosphatase
50016951	5	ChEMBL_328175 (CHEMBL863941)	Inhibitory activity against PTP1b
50016951	2	ChEMBL_328177 (CHEMBL863943)	Inhibitory activity against MPTPB
50016951	1	ChEMBL_328178 (CHEMBL863944)	Inhibitory activity against VHR phosphatase
50016952	1	ChEMBL_326983 (CHEMBL868742)	Inhibitory activity against class II FBP aldolase from Escherichia coli
50016952	2	ChEMBL_326982 (CHEMBL867575)	Inhibitory activity against class I FBP aldolase from rabbit
50016953	1	ChEMBL_328878 (CHEMBL859857)	Displacement of [3H]U-69593 from cloned human kappa opioid receptor
50016953	4	ChEMBL_328877 (CHEMBL859856)	Displacement of [3H]DAMGO from cloned human mu opioid receptor
50016956	3	ChEMBL_328205 (CHEMBL863917)	Inhibition of P38 alpha MAPK
50016956	2	ChEMBL_328206 (CHEMBL863945)	Inhibition of TNF alpha release in THP1 cells
50016956	1	ChEMBL_328207 (CHEMBL863946)	Inhibition of LPS stimulated TNF alpha release in whole blood
50016960	1	ChEMBL_328159 (CHEMBL863939)	Inhibitory activity against human ERK2
50016961	2	ChEMBL_327979 (CHEMBL863920)	Inhibitory activity against MMP3
50016961	1	ChEMBL_327978 (CHEMBL863919)	Inhibitory activity against MMP2
50016961	3	ChEMBL_327981 (CHEMBL863922)	Inhibitory activity against MMP8
50045743	1	ChEMBL_1470459 (CHEMBL3419176)	Binding affinity to Mycobacterium tuberculosis FtsZ
50045743	2	ChEMBL_1470464 (CHEMBL3419181)	Inhibition of Staphylococcus aureus FtsZ GTPase activity
50045743	3	ChEMBL_1470470 (CHEMBL3419187)	Binding affinity to Bacillus subtilis FtsZ
50045743	4	ChEMBL_1470485 (CHEMBL3419202)	Binding affinity to Escherichia coli FtsZ by fluorescence anisotrophy
50045743	5	ChEMBL_1470491 (CHEMBL3419208)	Inhibition of Escherichia coli FtsZ
50045743	6	ChEMBL_1470448 (CHEMBL3418982)	Inhibition of Escherichia coli FtsZ polymerization
50045743	7	ChEMBL_1470447 (CHEMBL3418981)	Inhibition of Escherichia coli FtsZ GTPase activity
50045744	1	ChEMBL_1470617 (CHEMBL3420030)	Inhibition of PLK-4 (unknown origin)
50045744	2	ChEMBL_1470628 (CHEMBL3420215)	Competitive inhibition of PLK-4 (unknown origin)
50045744	3	ChEMBL_1470627 (CHEMBL3420214)	Inhibition of PLK-3 (unknown origin)
50045744	4	ChEMBL_1470626 (CHEMBL3420213)	Inhibition of PLK-2 (unknown origin)
50045744	5	ChEMBL_1470625 (CHEMBL3420212)	Inhibition of PLK-1 (unknown origin)
50045744	6	ChEMBL_1470624 (CHEMBL3420211)	Inhibition of TRKB (unknown origin)
50045744	7	ChEMBL_1470623 (CHEMBL3420210)	Inhibition of TRKA (unknown origin)
50045744	8	ChEMBL_1470622 (CHEMBL3420209)	Inhibition of TIE2/TEK (unknown origin)
50045744	9	ChEMBL_1470620 (CHEMBL3420207)	Inhibition of FGFR1 (unknown origin)
50045744	10	ChEMBL_1470619 (CHEMBL3420206)	Inhibition of AURKB (unknown origin)
50045744	11	ChEMBL_1470618 (CHEMBL3420205)	Inhibition of AURKA (unknown origin)
50016965	3	ChEMBL_327753 (CHEMBL861794)	Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain
50016965	1	ChEMBL_327756 (CHEMBL861797)	Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in human brain
50016965	2	ChEMBL_327757 (CHEMBL861798)	Displacement of [3H]N-alpha-methylhistamine from histamine H1 receptor in guinea pig brain
50016965	4	ChEMBL_327755 (CHEMBL861796)	Inhibition of CYP2D6 in human liver microsomes
50045745	1	ChEMBL_1470633 (CHEMBL3420220)	Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay
50045745	2	ChEMBL_1470631 (CHEMBL3420218)	Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate by Ellman' method
50045745	3	ChEMBL_1470629 (CHEMBL3420216)	Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method
50016968	1	ChEMBL_334360 (CHEMBL859105)	Inhibitory activity against rabbit muscle GPa
50016970	3	ChEMBL_329245 (CHEMBL864595)	Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells
50016970	4	ChEMBL_329244 (CHEMBL864596)	Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells
50045745	4	ChEMBL_1470643 (CHEMBL3420230)	Activity at 5-HT4R (unknown origin) expressed in COS7 cells assessed as increase in sAPPalpha release
50045746	1	ChEMBL_1470944 (CHEMBL3419812)	Inhibition of human recombinant JAK2 using Z'LYTETry6 peptide substrate after 1 hr by microplate reader
50045746	2	ChEMBL_1470943 (CHEMBL3419625)	Inhibition of human recombinant FLT3 after 1 hr by LanthaScreen assay platform
50045746	3	ChEMBL_1470942 (CHEMBL3419624)	Inhibition of HDAC (unknown origin) using Fluor de Lys substrate after 2 hrs by microplate reader
50016973	4	ChEMBL_327710 (CHEMBL859304)	Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay
50045747	1	ChEMBL_1470961 (CHEMBL3419829)	Inhibition of Mnk2 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay
50016973	1	ChEMBL_327704 (CHEMBL860258)	Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells
50045747	2	ChEMBL_1470960 (CHEMBL3419828)	Inhibition of Mnk1 (unknown origin) pre-incubated for 10 mins before eIF4E peptide substrate addition by ADP-Glo kinase assay
50045748	1	ChEMBL_1471125 (CHEMBL3421015)	Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay
50045748	2	ChEMBL_1471124 (CHEMBL3421014)	Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50045748	3	ChEMBL_1471123 (CHEMBL3421013)	Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50016973	5	ChEMBL_327710 (CHEMBL859304)	Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay
50016974	1	ChEMBL_328063 (CHEMBL863929)	Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B
50016976	6	ChEMBL_327352 (CHEMBL863439)	Inhibitory activity against murine p38-alpha MAPK
50016976	4	ChEMBL_327367 (CHEMBL863467)	Inhibitory activity against c-Met
50016976	1	ChEMBL_327360 (CHEMBL863535)	Inhibitory activity against JNK2
50016976	3	ChEMBL_327362 (CHEMBL863537)	Inhibitory activity against HER1
50016976	2	ChEMBL_327374 (CHEMBL863474)	Inhibitory activity against HER2
50016981	1	ChEMBL_320805 (CHEMBL884760)	Antagonist activity against human Adenosine A2b receptor
50016982	2	ChEMBL_320895 (CHEMBL872394)	In vitro inhibitory constant against [3H]spiperone binding to human dopamine D2 receptor expressed in CHO cells
50016982	1	ChEMBL_320901 (CHEMBL872400)	In vitro inhibitory constant against [3H]paroxetine binding to rat frontal cortex membrane serotonin reuptake site
50016983	1	ChEMBL_322351 (CHEMBL873522)	In situ inhibitory concentration against cathepsin in human tissue sections containing osteoclasts
50045749	1	ChEMBL_1471141 (CHEMBL3421031)	Inhibition of horse serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman method
50045749	2	ChEMBL_1471140 (CHEMBL3421030)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman method
50045749	3	ChEMBL_1471139 (CHEMBL3421029)	Inhibition of MAO-B (unknown origin)
50045749	4	ChEMBL_1471258 (CHEMBL3418557)	Inhibition of human MAO-A using p-tyramine as substrate assessed as H2O2 production by amplex red assay
50045749	5	ChEMBL_1471259 (CHEMBL3418558)	Inhibition of human MAO-B using p-tyramine as substrate assessed as H2O2 production by amplex red assay
50045749	6	ChEMBL_1471266 (CHEMBL3418565)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman method
50045749	7	ChEMBL_1471267 (CHEMBL3418566)	Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman method
50045749	8	ChEMBL_1471270 (CHEMBL3418569)	Mixed-type inhibition of electric eel AChE by Lineweaver-Burk plot analysis
50045750	1	ChEMBL_1471283 (CHEMBL3418582)	Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA
50016987	2	ChEMBL_321341 (CHEMBL881485)	Inhibitory activity against Mitogen-activated protein kinase 14, p38-alpha
50016987	1	ChEMBL_321216 (CHEMBL884635)	Antagonist activity against glucagon receptor
50016988	1	ChEMBL_321358 (CHEMBL881502)	Inhibitory concentration against COX-2 upon incubation for 15 minutes at 37 degree C
50016988	2	ChEMBL_321274 (CHEMBL881280)	Inhibitory concentration against COX-2; (valus obtained by Kato et al.)
50016991	5	ChEMBL_320926 (CHEMBL881470)	Binding affinity towards rat dopamine D2 receptor using [11C] radiotracer
50016991	3	ChEMBL_320928 (CHEMBL881472)	Binding affinity for rat dopamine D4 receptor using [11C] radiotracer
50016991	1	ChEMBL_320932 (CHEMBL882451)	Binding affinity for rat 5-Hydroxytryptamine receptor using [11C] radiotracer
50016991	6	ChEMBL_320935 (CHEMBL882454)	Binding affinity for rat Alpha-1A adrenergic receptor using [11C] radiotracer
50016991	4	ChEMBL_320927 (CHEMBL881471)	Binding affinity for rat dopamine D3 receptor using [11C] radiotracer
50016991	2	ChEMBL_320850 (CHEMBL884775)	Binding affinity for rat Opioid receptor sigma 1 using [11C] radiotracer
50016991	7	ChEMBL_320857 (CHEMBL884782)	Binding affinity for rat dopamine D3 receptor using [11C]GR-218,231
50016991	8	ChEMBL_320934 (CHEMBL882453)	Binding affinity for rat Alpha-1A adrenergic receptor using [11C] radiotracer
50045751	1	ChEMBL_1471299 (CHEMBL3418775)	Inhibition of Aurora A in human HeLa cells after 12 hrs by ELISA method
50045751	2	ChEMBL_1471300 (CHEMBL3418776)	Inhibition of Aurora B in human HeLa cells after 12 hrs by ELISA method
50045752	1	ChEMBL_1471477 (CHEMBL3419862)	Inhibition of PSMA (unknown origin)
50016992	9	ChEMBL_321315 (CHEMBL881411)	Inhibitory concentration against human glutathione reductase
50045752	2	ChEMBL_1471476 (CHEMBL3419861)	Binding affinity PSMA (unknown origin)
50045753	1	ChEMBL_1471543 (CHEMBL3420278)	Inhibition of c-Met (unknown origin)
50045753	2	ChEMBL_1471545 (CHEMBL3420280)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 substrate incubated for 60 mins by ELISA method
50045753	3	ChEMBL_1471563 (CHEMBL3420298)	Inhibition of RON (unknown origin)
50045753	4	ChEMBL_1471564 (CHEMBL3420299)	Inhibition of TYRO3 (unknown origin)
50045753	5	ChEMBL_1471565 (CHEMBL3420300)	Inhibition of AXL (unknown origin)
50045753	6	ChEMBL_1471566 (CHEMBL3420301)	Inhibition of IGF1R (unknown origin)
50045753	7	ChEMBL_1471567 (CHEMBL3420302)	Inhibition of ALK (unknown origin)
50045753	8	ChEMBL_1471568 (CHEMBL3420303)	Inhibition of FGFR1 (unknown origin)
50045753	9	ChEMBL_1471569 (CHEMBL3420304)	Inhibition of PDGFRbeta (unknown origin)
50045753	10	ChEMBL_1471570 (CHEMBL3420305)	Inhibition of FLT1 (unknown origin)
50045753	11	ChEMBL_1471571 (CHEMBL3420306)	Inhibition of EGFR (unknown origin)
50045753	12	ChEMBL_1471572 (CHEMBL3420307)	Inhibition of EGFR T790M/L858R mutant (unknown origin)
50045753	13	ChEMBL_1471573 (CHEMBL3420308)	Inhibition of ERBB4 (unknown origin)
50045753	14	ChEMBL_1471574 (CHEMBL3420309)	Inhibition of EPHA2 (unknown origin)
50045754	1	ChEMBL_1471699 (CHEMBL3421067)	Inhibition of DAT (unknown origin)
50045754	2	ChEMBL_1471700 (CHEMBL3421068)	Inhibition of alpha-2C adrenergic receptor (unknown origin)
50045754	3	ChEMBL_1471744 (CHEMBL3421336)	Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of RAMH-induced [35S]GTPgammaS binding relative to control
50045754	4	ChEMBL_1471686 (CHEMBL3421054)	Inhibition of CYP1A2 (unknown origin)
50045754	5	ChEMBL_1471687 (CHEMBL3421055)	Inhibition of CYP2C9 (unknown origin)
50045754	6	ChEMBL_1471688 (CHEMBL3421056)	Inhibition of CYP2C19 (unknown origin)
50045754	7	ChEMBL_1471689 (CHEMBL3421057)	Inhibition of CYP2D6 (unknown origin)
50045754	8	ChEMBL_1471690 (CHEMBL3421058)	Inhibition of CYP3A4 (unknown origin)
50045754	9	ChEMBL_1471694 (CHEMBL3421062)	Inhibition of human ERG by patch clamp technique
50045754	10	ChEMBL_1471696 (CHEMBL3421064)	Inhibition of human H1R
50045754	11	ChEMBL_1471697 (CHEMBL3421065)	Inhibition of human H2R
50045754	12	ChEMBL_1471698 (CHEMBL3421066)	Inhibition of human H4R
50045754	13	ChEMBL_1471680 (CHEMBL3421048)	Binding affinity to rat histamine H3 receptor
50045754	14	ChEMBL_1471679 (CHEMBL3421047)	Binding affinity to human histamine H3 receptor
50045755	1	ChEMBL_1472195 (CHEMBL3418826)	Inhibition of porcine heart SQR in SCR complex assessed as reduction in ubiquinol-cytochrome c reductase (complex 3) activity by measuring cytochrome c level using succinate and DCIP substrate at 23 degC by spectrophotometry
50045755	2	ChEMBL_1472196 (CHEMBL3418827)	Non-competitive inhibition of porcine heart SQR in SCR complex with respect to DCIP substrate at 23 degC by double-reciprocal plot
50045756	1	ChEMBL_1472395 (CHEMBL3420116)	Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyltransferase activity incubated for 15 mins using biotin-NAD+ by chemiluminescence detection based assay
50045756	2	ChEMBL_1472393 (CHEMBL3420114)	Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assessed as inhibition of ADP-ribosyltransferase activity incubated for 15 mins using biotin-NAD+ by chemiluminescence detection based assay
50045756	3	ChEMBL_1472392 (CHEMBL3420113)	Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyltransferase activity incubated for 15 mins using biotin-NAD+ by chemiluminescence detection based assay
50024787	2	ChEMBL_551733 (CHEMBL998270)	Inhibition of human COX2 expressed in sf9 cells
50024791	1	ChEMBL_551745 (CHEMBL1000881)	Inhibition of sheep COX1 measured by oxygen consumption
50016997	1	ChEMBL_330757 (CHEMBL861921)	Inhibitory activity against recombinant human MCD MBP fusion protein
50016998	2	ChEMBL_327712 (CHEMBL860417)	Binding affinity to thrombin
50045756	4	ChEMBL_1472394 (CHEMBL3420115)	Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed as inhibition of ADP-ribosyltransferase activity incubated for 15 mins using biotin-NAD+ by chemiluminescence detection based assay
50016999	1	ChEMBL_334350 (CHEMBL862209)	Binding affinity to thrombin in presence of Zn2+
50016999	6	ChEMBL_334356 (CHEMBL862508)	Binding affinity to FVIIa in absence of Zn2+
50016999	5	ChEMBL_334349 (CHEMBL862208)	Binding affinity to FXa in presence of Zn2+
50016999	2	ChEMBL_334351 (CHEMBL862210)	Binding affinity to FVIIa in presence of Zn2+
50016999	4	ChEMBL_334355 (CHEMBL862507)	Binding affinity to thrombin in absence of Zn2+
50016999	3	ChEMBL_334354 (CHEMBL862506)	Binding affinity to FXa in absence of Zn2+
50017002	2	ChEMBL_331169 (CHEMBL854096)	Displacement of [3H]5-HT from human 5HT2C
50017002	1	ChEMBL_331168 (CHEMBL854095)	Displacement of [3H]5-HT from human 5HT2B
50017002	6	ChEMBL_331164 (CHEMBL854091)	Binding to human 5HT2A receptor expressed in CHO cells
50017002	3	ChEMBL_331166 (CHEMBL854093)	Binding to human 5HT2C receptor expressed in CHO cells
50017002	4	ChEMBL_331167 (CHEMBL854094)	Displacement of [125I]DOI from human 5HT2A
50017002	5	ChEMBL_331165 (CHEMBL854092)	Binding to human 5HT2B receptor expressed in CHO cells
50017004	1	ChEMBL_327882 (CHEMBL864602)	Binding affinity to Tec SH3 domain
50045757	1	ChEMBL_1472518 (CHEMBL3421140)	Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecanoic acid as substrate assessed as HHQ formation preincubated for 10 mins followed by substrate addition by HPLC/MS-MS analysis
50045758	1	ChEMBL_1472723 (CHEMBL3418856)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
50017007	1	ChEMBL_333325 (CHEMBL859124)	Binding affinity to glucocorticoid receptor by Fluorescence polarization
50017009	1	ChEMBL_332931 (CHEMBL854075)	Binding affinity to kappa opioid receptor
50017009	4	ChEMBL_332937 (CHEMBL854085)	Binding affinity to mu opioid receptor
50017009	2	ChEMBL_332932 (CHEMBL854076)	Agonist activity at kappa opioid receptor in a [35S]GTP-gamma-S functional assay
50017009	3	ChEMBL_332935 (CHEMBL854082)	Inhibitory activity against CYP2D6
50017010	11	ChEMBL_334406 (CHEMBL864315)	Inhibition of PDE4A
50017010	3	ChEMBL_334412 (CHEMBL864322)	Inhibition of PDE8B
50017010	13	ChEMBL_334408 (CHEMBL864318)	Inhibition of PDE4C
50017010	5	ChEMBL_334414 (CHEMBL864324)	Inhibition of PDE10
50017010	8	ChEMBL_334420 (CHEMBL854102)	Inhibition of release of TNF alpha in human whole blood
50045758	2	ChEMBL_1472837 (CHEMBL3419499)	Antagonist activity against human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-induced inhibition of forskolin-induced cAMP production by scintillation counting method
50017010	9	ChEMBL_334404 (CHEMBL864314)	Inhibition of PDE2
50017010	7	ChEMBL_334413 (CHEMBL864323)	Inhibition of PDE9
50045759	1	ChEMBL_1472838 (CHEMBL3419500)	Inhibition of human thrombin using Ac-FVR-AMC as substrate incubated for 10 mins prior to substrate addition measured for 10 min by fluorescence assay
50017010	4	ChEMBL_334411 (CHEMBL864321)	Inhibition of PDE8A
50017010	14	ChEMBL_334409 (CHEMBL864319)	Inhibition of PDE4D
50017012	1	ChEMBL_333862 (CHEMBL864091)	Activity at LPA1 receptor transfected RH7777 cells
50017012	2	ChEMBL_333864 (CHEMBL865902)	Activity at LPA3 receptor transfected RH7777 cells
50017012	3	ChEMBL_333863 (CHEMBL865901)	Activity at LPA2 receptor transfected RH7777 cells
50045760	1	ChEMBL_1470660 (CHEMBL3420247)	Inhibition of HO1 in Sprague-Dawley rat spleen microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam spectrophotometry
50045760	2	ChEMBL_1470661 (CHEMBL3420440)	Inhibition of HO2 in Sprague-Dawley rat brain microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam spectrophotometry
50017013	3	ChEMBL_333262 (CHEMBL859083)	Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay
50017013	1	ChEMBL_333260 (CHEMBL859079)	Displacement of [3H]SR-141716 from human CB1 receptor transfected in HEK293 cells
50017013	2	ChEMBL_333261 (CHEMBL859080)	Binding affinity to human CB2 receptor expressed in CHOK1 cells
50017014	1	ChEMBL_332949 (CHEMBL854079)	Binding affinity at the CB1 receptor
50017014	2	ChEMBL_332950 (CHEMBL854080)	Binding affinity at the CB2 receptor
50017016	12	ChEMBL_332997 (CHEMBL853595)	Binding affinity to human cloned dopamine D2 receptor
50017016	11	ChEMBL_332996 (CHEMBL853593)	Binding affinity to human cloned dopamine D3 receptor
50017016	8	ChEMBL_333001 (CHEMBL853600)	Inhibitory activity against dopamine D1 receptor
50017016	1	ChEMBL_333003 (CHEMBL853603)	Inhibitory activity against dopamine D5 receptor
50017018	1	ChEMBL_327776 (CHEMBL871142)	Inhibitory activity against MurD from Escherichia coli
50017018	2	ChEMBL_327777 (CHEMBL863555)	Inhibitory activity against MurD from Streptococcus pneumoniae
50017021	1	ChEMBL_332366 (CHEMBL865196)	Inhibitory activity against AChE from electric eel
50017021	2	ChEMBL_332367 (CHEMBL865200)	Inhibitory activity against BuChE from horse serum
50045761	1	ChEMBL_1470852 (CHEMBL3418054)	Inhibition of SIRT6 (unknown origin) using AMC containing peptide substructure by fluorogenic assay
50045761	2	ChEMBL_1470851 (CHEMBL3418053)	Inhibition of SIRT6 (unknown origin) using (DABCYL)ISGASE(MyK)DIVHSE(EDANS)G substrate in presence of NAD followed by 1 hr incubation with trypsin by FRET assay
50045762	1	ChEMBL_1471014 (CHEMBL3420061)	Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltage clamp assay
50017023	1	ChEMBL_332180 (CHEMBL869995)	Inhibitory activity against human Caspase 1
50017027	11	ChEMBL_327536 (CHEMBL854351)	Inhibitory activity against PDE2 by scintillation proximity assay
50017027	2	ChEMBL_327541 (CHEMBL854356)	Inhibitory activity against PDE4D by scintillation proximity assay
50017027	4	ChEMBL_327546 (CHEMBL854361)	Inhibitory activity against PDE10 by scintillation proximity assay
50017027	3	ChEMBL_327540 (CHEMBL854355)	Inhibitory activity against PDE4C by scintillation proximity assay
50017027	8	ChEMBL_327543 (CHEMBL854358)	Inhibitory activity against PDE8A by scintillation proximity assay
50017027	10	ChEMBL_327539 (CHEMBL854354)	Inhibitory activity against PDE4B by scintillation proximity assay
50017027	9	ChEMBL_327538 (CHEMBL854353)	Inhibitory activity against PDE4A by scintillation proximity assay
50017027	5	ChEMBL_327545 (CHEMBL854360)	Inhibitory activity against PDE9 by scintillation proximity assay
50017027	7	ChEMBL_327544 (CHEMBL854359)	Inhibitory activity against PDE8B by scintillation proximity assay
50045762	2	ChEMBL_1471017 (CHEMBL3420249)	Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltage clamp assay
50017028	1	ChEMBL_329195 (CHEMBL863435)	Noradrenaline induced vasorelaxant activity in intact rat aortic rings
50045763	1	ChEMBL_1471152 (CHEMBL3421283)	Inhibition of His-tagged HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry
50017029	2	ChEMBL_327427 (CHEMBL863477)	Inhibitory activity against COX2 in canine whole blood
50045763	2	ChEMBL_1471151 (CHEMBL3421282)	Inhibition of His-tagged HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry
50045763	3	ChEMBL_1471150 (CHEMBL3421040)	Inhibition of His-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins by MALDI mass spectrometry
50017029	3	ChEMBL_327429 (CHEMBL863480)	Inhibitory activity against COX2 in feline whole blood assay
50045763	4	ChEMBL_1471166 (CHEMBL3421297)	Inhibition of HDAC1 (unknown origin)
50017030	1	ChEMBL_330808 (CHEMBL861916)	Inhibitory activity against MEK
50045764	1	ChEMBL_1471171 (CHEMBL3421302)	Inhibition of F10a in human plasma assessed as doubling of prothombin time
50017031	4	ChEMBL_332325 (CHEMBL865192)	Agonist activity at PPARgamma transfected in HEK293 cells
50017031	2	ChEMBL_332330 (CHEMBL865198)	Agonist activity at mouse PPARdelta transfected in HEK293 cells
50017031	5	ChEMBL_332323 (CHEMBL867015)	Agonist activity at PPARalpha transfected in HEK293 cells
50017031	3	ChEMBL_332329 (CHEMBL865197)	Agonist activity at mouse PPARalpha transfected in HEK293 cells
50017031	1	ChEMBL_332331 (CHEMBL865199)	Agonist activity at human PPARalpha containing wild-type I272F domain transfected in HEK293 cells
50017031	6	ChEMBL_332324 (CHEMBL867016)	Agonist activity at PPARdelta transfected in HEK293 cells
50017033	1	ChEMBL_327488 (CHEMBL862360)	Activity against PPAR alpha in human by FRET assay
50017033	2	ChEMBL_327489 (CHEMBL861781)	Activity against PPAR gamma in human by FRET assay
50045764	2	ChEMBL_1471172 (CHEMBL3421303)	Inhibition of F10a in human plasma assessed as doubling of activated partial thromboplastin time
50017037	5	ChEMBL_327762 (CHEMBL870570)	Displacement of [3H]DAMGO from mu opioid receptor
50017037	2	ChEMBL_327765 (CHEMBL871139)	Activity at delta opioid receptor in mouse vas deferens
50017037	1	ChEMBL_327766 (CHEMBL871140)	Activity at mu opioid receptor in longitudinal muscle myenteric plexus from guinea pig ileum
50017037	3	ChEMBL_327764 (CHEMBL871136)	Agonistic efficacy at rat mu opioid receptor by [35S]GTPgammaS binding assay
50045764	3	ChEMBL_1471173 (CHEMBL3421304)	Inhibition of F10a in rabbit plasma assessed as doubling of prothombin time
50017041	2	ChEMBL_327525 (CHEMBL871363)	Displacement of [3H]ZM-241385 from Adenosine A2A receptor expressed in HEK cells
50017041	1	ChEMBL_327523 (CHEMBL871361)	Displacement of [3H]ZM-241385 from Adenosine A2B receptor expressed in HEK cells
50017041	4	ChEMBL_327524 (CHEMBL871362)	Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells
50017041	3	ChEMBL_327526 (CHEMBL871364)	Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells
50017042	2	ChEMBL_430693 (CHEMBL919089)	Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-3-beta-3-gamma-2 receptor expressed in L(tk-) cells
50017042	3	ChEMBL_430691 (CHEMBL919087)	Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-1-beta-3-gamma-2 receptor expressed in L(tk-) cells
50017042	1	ChEMBL_430692 (CHEMBL919088)	Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-2-beta-3-gamma-2 receptor expressed in L(tk-) cells
50017043	1	ChEMBL_430712 (CHEMBL919108)	Inhibition of pig brain POP
50017049	2	ChEMBL_430786 (CHEMBL920042)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50017049	1	ChEMBL_430784 (CHEMBL920040)	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes
50017049	4	ChEMBL_430792 (CHEMBL920048)	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP
50017049	3	ChEMBL_430787 (CHEMBL920043)	Displacement of [3H]CGS-21680 from adenosine A2A receptor in bovine cerebral cortical membranes
50017049	5	ChEMBL_430791 (CHEMBL920047)	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP
50045764	4	ChEMBL_1471174 (CHEMBL3421305)	Inhibition of F10a in rabbit plasma assessed as doubling of activated partial thromboplastin time
50017054	1	ChEMBL_430883 (CHEMBL913952)	Displacement of [125I]6-iodo-4'-dimethyaminofl avone from beta amyloid (1-42) protein aggregates
50017054	2	ChEMBL_430882 (CHEMBL913951)	Displacement of [125I]6-iodo-4'-dimethyaminofl avone from beta amyloid (1-40) protein aggregates
50045764	5	ChEMBL_1471175 (CHEMBL3421306)	Inhibition of human F10a using S-2765 as substrate after 45 mins by spectra max analysis
50045765	1	ChEMBL_1471177 (CHEMBL3421308)	Inhibition of PI3Kalpha (unknown origin)
50045766	1	ChEMBL_1471326 (CHEMBL3418802)	Inhibition of human cytosolic form of carbonic anhydrase-1 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow method
50045766	2	ChEMBL_1471327 (CHEMBL3418803)	Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow method
50045766	3	ChEMBL_1471328 (CHEMBL3418804)	Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow method
50045766	4	ChEMBL_1471329 (CHEMBL3418805)	Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow method
50045767	1	ChEMBL_1471371 (CHEMBL3419219)	Inhibition of equine serum BuChE pre-incubated for 3 mins before butyrylthiocholine substrate addition by Ellman's reagent based spectrophotometry
50017062	2	ChEMBL_430952 (CHEMBL914894)	Displacement of [3H]CP-55940 from CB2 receptor in CD1 mouse spleen
50017062	1	ChEMBL_430951 (CHEMBL914893)	Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain
50017064	3	ChEMBL_430992 (CHEMBL916420)	Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization
50017064	1	ChEMBL_430990 (CHEMBL916418)	Displacement of [3H]MPEP from rat cortex mGluR5
50017064	2	ChEMBL_430989 (CHEMBL916417)	Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes
50045767	2	ChEMBL_1471370 (CHEMBL3419218)	Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Ellman's reagent based spectrophotometry
50045767	3	ChEMBL_1471374 (CHEMBL3419222)	Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot
50045768	1	ChEMBL_1474606 (CHEMBL3423922)	Displacement of [3H]naloxone from MOR (unknown origin) expressed in human 293T cells
50045768	2	ChEMBL_1474738 (CHEMBL3424156)	Antagonist activity at NK1 receptor (unknown origin)
50045768	3	ChEMBL_1474741 (CHEMBL3424159)	Inhibition of histamine H1 receptor (unknown origin)
50045768	4	ChEMBL_1474742 (CHEMBL3424160)	Inhibition of human ERG channel
50045769	1	ChEMBL_1474747 (CHEMBL3424165)	Binding affinity to DDR1 (unknown origin)
50045769	2	ChEMBL_1474746 (CHEMBL3424164)	Inhibition of DDR2 (unknown origin) assessed as reduction in collagen-induced DDR2 activation
50045769	3	ChEMBL_1474745 (CHEMBL3424163)	Inhibition of DDR1b (unknown origin) assessed as reduction in collagen-induced DDR1b activation
50017065	5	ChEMBL_431014 (CHEMBL916869)	Inhibition of human glutathione reductase in presence of 500 uM GSSG substrate
50017065	1	ChEMBL_431015 (CHEMBL916870)	Inhibition of human glutathione reductase in presence of 50 uM GSSG substrate
50017065	3	ChEMBL_431013 (CHEMBL916868)	Inhibition of Trypanosoma cruzi trypanothione reductase after 5 mins pre-incubation with NADPH in presence of 100 uM TS2 substrate
50017065	2	ChEMBL_431016 (CHEMBL916871)	Inhibition of human glutathione reductase after 5 mins pre-incubation with NADPH in presence of 500 uM GSSG substrate
50017065	4	ChEMBL_431012 (CHEMBL916867)	Inhibition of Trypanosoma cruzi trypanothione reductase in presence of 100 uM TS2 substrate
50045769	4	ChEMBL_1474744 (CHEMBL3424162)	Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced DDR2 tyrosine phosphorylation pre-incubated for 30 mins by immunoblotting method
50045769	5	ChEMBL_1474758 (CHEMBL3424215)	Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-2-induced DDR2 phosphorylation
50045769	6	ChEMBL_1474756 (CHEMBL3424174)	Inhibition of DDR1 (unknown origin)
50045769	7	ChEMBL_1474755 (CHEMBL3424173)	Inhibition of human DDR1 in doxycycline-stimulated human U2OS cells assessed as inhibition of collagen-1-induced autophosphorylation incubated for 1 hr
50045769	8	ChEMBL_1474754 (CHEMBL3424172)	Inhibition of human DDR1 kinase domain (601 to 913 residues) expressed in Sf9 cells by enzymatic kinase assay
50045769	9	ChEMBL_1474753 (CHEMBL3424171)	Binding affinity to DDR2 (unknown origin) by active-site dependent competition binding assay
50045769	10	ChEMBL_1474752 (CHEMBL3424170)	Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced receptor auto-phosphorylation by Western blot method
50045769	11	ChEMBL_1474751 (CHEMBL3424169)	Inhibition of human DDR1b expressed in HEK293 cells assessed as reduction in collagen-1-induced receptor auto-phosphorylation by Western blot method
50045769	12	ChEMBL_1474750 (CHEMBL3424168)	Inhibition of recombinant non-activated DDR2 tyrosine kinase domain (unknown origin) using histone H2B peptide substrate and [32P]ATP incubated for 15 mins
50045769	13	ChEMBL_1474749 (CHEMBL3424167)	Inhibition of recombinant activated DDR2 tyrosine kinase domain (unknown origin) using histone H2B peptide substrate and [32P]ATP incubated for 15 mins
50045769	14	ChEMBL_1474748 (CHEMBL3424166)	Binding affinity to DDR2 (unknown origin)
50045770	1	ChEMBL_1474766 (CHEMBL3424223)	Inhibition of human 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assay in presence of NAD+
50045770	2	ChEMBL_1474762 (CHEMBL3424219)	Inhibition of human 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by scintillation proximity assay in presence of NADPH
50045770	3	ChEMBL_1474764 (CHEMBL3424221)	Inhibition of mouse 11beta-HSD1 overexpressed in microsomal fraction of HEK293 cells assessed as formation of [3H]-cortisol from [3H]-cortisone by scintillation proximity assay in presence of NADPH
50045770	4	ChEMBL_1474763 (CHEMBL3424220)	Inhibition of mouse 11beta-HSD2 overexpressed in microsomal fraction of HEK293 cells using [3H]-cortisol as substrate by scintillation proximity assay in presence of NAD+
50045771	1	ChEMBL_1474783 (CHEMBL3424240)	Induction of p53-dependent growth suppression of human LNZTA3 cells after 72 hrs by MTT assay
50045772	1	ChEMBL_1475108 (CHEMBL3424748)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 DE3 assessed as reduction in 5-LO product formation pre-incubated for 10 mins by RP-HPLC method
50045773	1	ChEMBL_1475209 (CHEMBL3424964)	Inhibition of human AKR1B10 using D-glucuronate as substrate by spectrophotometry
50045773	2	ChEMBL_1475211 (CHEMBL3424966)	Uncompetitive inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate by double reciprocal plot analysis
50045773	3	ChEMBL_1475201 (CHEMBL3424956)	Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as substrate incubated for 1 min measured for 4 mins by spectrophotometry
50045773	4	ChEMBL_1475204 (CHEMBL3424959)	Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry
50045773	5	ChEMBL_1475207 (CHEMBL3424962)	Inhibition of human recombinant AKR1B1 using D-glucuronate as substrate by spectrophotometry
50045774	1	ChEMBL_1475219 (CHEMBL3424974)	Agonist activity at human recombinant S1P3 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
50045774	2	ChEMBL_1475218 (CHEMBL3424973)	Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
50045775	1	ChEMBL_1475222 (CHEMBL3425020)	Agonist activity at mouse melanocortin-3 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay
50045775	2	ChEMBL_1475221 (CHEMBL3425019)	Agonist activity at mouse melanocortin-5 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay
50045775	3	ChEMBL_1475220 (CHEMBL3424975)	Agonist activity at mouse melanocortin-1 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay
50045775	4	ChEMBL_1475227 (CHEMBL3425025)	Agonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells after 6 hrs by beta-galactosidase reporter gene assay
50045775	5	ChEMBL_1475229 (CHEMBL3425027)	Antagonist activity at mouse melanocortin-4 receptor transfected in HEK293 cells assessed as inhibition of MTII-induced response after 6 hrs by Schild analysis
50045776	1	ChEMBL_1475234 (CHEMBL3425032)	Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisotropy assay
50017073	1	ChEMBL_431077 (CHEMBL917782)	Inhibition of acetylcholinesterase
50017076	1	ChEMBL_332006 (CHEMBL859587)	Inhibitory activity against cytosolic malic enzyme
50045776	2	ChEMBL_1475233 (CHEMBL3425031)	Binding affinity to RPA70N protein (unknown origin) by HSQC NMR-based titration method
50045777	1	ChEMBL_1475299 (CHEMBL3425159)	Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli BL21 DE3 after 4 to 6 hrs by GFP reporter gene assay
50045777	2	ChEMBL_1475311 (CHEMBL3425208)	Agonist activity at Pseudomonas aeruginosa LasR
50045777	3	ChEMBL_1475312 (CHEMBL3425209)	Antagonist activity at Pseudomonas aeruginosa LasR
50045778	1	ChEMBL_1475313 (CHEMBL3425210)	Inhibition of LSD1 (unknown origin)
50045778	2	ChEMBL_1475316 (CHEMBL3425213)	Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by luminescence assay
50045778	3	ChEMBL_1475315 (CHEMBL3425212)	Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 15 mins prior to substrate addition measured after 30 mins by luminescence assay
50045778	4	ChEMBL_1475314 (CHEMBL3425211)	Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3-H4 peptide as substrate assessed as H2O2 produced after 15 mins by amplex red assay
50045779	1	ChEMBL_1475325 (CHEMBL3425222)	Displacement of [125I]-NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells by gamma counting analysis
50045779	2	ChEMBL_1475327 (CHEMBL3425224)	Activity at human MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter
50017085	4	ChEMBL_331932 (CHEMBL864675)	Inhibitory activity against Ha-Ras processing in COS7 cells
50017085	5	ChEMBL_331931 (CHEMBL864674)	Inhibitory activity against farnesyltransferase quantified by SPA assay
50017085	3	ChEMBL_331935 (CHEMBL864068)	Anchorage-independent growth of transformed NIH3T3 cells in soft agar
50017085	2	ChEMBL_331933 (CHEMBL862892)	Inhibitory activity against Geranylgeranyltransferase 1
50017085	1	ChEMBL_331934 (CHEMBL864054)	Inhibitory activity against Farnesyltransferase quantified by modified SPA assay with improved sensitivity
50017086	1	ChEMBL_334678 (CHEMBL853090)	Inhibition of human MCH1 receptor by SPA assay
50017086	3	ChEMBL_334679 (CHEMBL853627)	Displacement of [3H]myo-inositol from human MCH1 receptor expressed in CHO cell by IP3 assay
50017086	2	ChEMBL_334677 (CHEMBL853089)	Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay
50045779	3	ChEMBL_1475329 (CHEMBL3425226)	Displacement of [125I]-NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells by gamma counting analysis
50017087	2	ChEMBL_334366 (CHEMBL864301)	Displacement of [125I]I-AB-MECA from human Adenosine A3 receptor expressed in CHO cells
50017087	1	ChEMBL_334365 (CHEMBL858944)	Potency against human Adenosine A2B receptor transfected in CHO cells by the stimulation of cAMP production
50017087	3	ChEMBL_334363 (CHEMBL858946)	Displacement of [3H]R-PIA from human Adenosine A1 receptor expressed in CHO cells
50017087	4	ChEMBL_334364 (CHEMBL858945)	Displacement of [3H]CGS-21680 from human Adenosine A2A receptor expressed in CHO cells
50017087	5	ChEMBL_334368 (CHEMBL864307)	Binding affinity to rat Adenosine A3 receptor
50017089	5	ChEMBL_334534 (CHEMBL862517)	Binding affinity to MMP1
50017089	3	ChEMBL_334533 (CHEMBL862516)	Inhibitory activity against TACE
50017089	1	ChEMBL_334537 (CHEMBL862520)	Binding affinity to MMP13
50017089	4	ChEMBL_334535 (CHEMBL862518)	Binding affinity to MMP2
50045779	4	ChEMBL_1475331 (CHEMBL3425228)	Activity at human MC3 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter
50017090	7	ChEMBL_331866 (CHEMBL865886)	Inhibitory activity against cdc25C phosphatase
50017090	9	ChEMBL_331865 (CHEMBL865885)	Inhibitory activity against cdc25B phosphatase
50017090	6	ChEMBL_331863 (CHEMBL865883)	Inhibitory activity against LAR protein tyrosine phosphatase
50017090	5	ChEMBL_331859 (CHEMBL865877)	Inhibitory activity against YOP protein tyrosine phosphatase
50017090	8	ChEMBL_331857 (CHEMBL865873)	Inhibitory activity against recombinant human PTP1B
50017090	3	ChEMBL_331861 (CHEMBL865879)	Inhibitory activity against Protein phosphatase 1
50017090	2	ChEMBL_331862 (CHEMBL865880)	Inhibitory activity against CD45 phosphatase
50017090	4	ChEMBL_331864 (CHEMBL865884)	Inhibitory activity against cdc25A phosphatase
50017090	1	ChEMBL_331860 (CHEMBL865878)	Inhibitory activity against VH1-related phosphatase VHR
50017091	3	ChEMBL_329844 (CHEMBL862793)	Activity at LPA1 receptor in RH7777 rat hepatoma cell line
50045779	5	ChEMBL_1475333 (CHEMBL3425230)	Displacement of [125I]-NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells by gamma counting analysis
50017091	1	ChEMBL_329846 (CHEMBL862795)	Activity at LPA3 receptor in RH7777 rat hepatoma cell line
50017091	4	ChEMBL_329845 (CHEMBL862794)	Activity at LPA2 receptor in RH7777 rat hepatoma cell line
50045779	6	ChEMBL_1475395 (CHEMBL3425359)	Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter
50045779	7	ChEMBL_1475397 (CHEMBL3425361)	Displacement of [125I]-NDP-alpha-MSH from human MC5 receptor expressed in HEK293 cells by gamma counting analysis
50045779	8	ChEMBL_1475399 (CHEMBL3425363)	Antagonist activity at human MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by luminescence counter
50045780	1	ChEMBL_1475402 (CHEMBL3425366)	Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis
50017092	1	ChEMBL_331690 (CHEMBL862890)	Binding affinity to human cloned dopamine D3 receptor
50017092	2	ChEMBL_331691 (CHEMBL865866)	Binding affinity to human cloned dopamine D2 receptor
50045780	2	ChEMBL_1475403 (CHEMBL3425367)	Displacement of [3H]-CP55940 from human CB1 receptor after 1 hr by scintillation counting analysis
50017093	3	ChEMBL_329734 (CHEMBL864615)	Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor
50045780	3	ChEMBL_1475404 (CHEMBL3425368)	Agonist activity at human CB2 receptor after 1 hr by [35S]-GTPgammaS binding assay
50017094	1	ChEMBL_334652 (CHEMBL854118)	Displacement of [3H]-Sar-Met Substance P from recombinant human NK1 receptor in CHO cells
50017096	1	ChEMBL_332431 (CHEMBL867027)	Inhibitory activity against GABAT
50017096	2	ChEMBL_332432 (CHEMBL867028)	Inhibitory activity against SSADH
50045781	1	ChEMBL_1475435 (CHEMBL3424428)	Inhibition of human recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysis
50045781	2	ChEMBL_1475430 (CHEMBL3424423)	Inhibition of Escherichia coli recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysis
50045782	1	ChEMBL_1475511 (CHEMBL3424504)	Negative allosteric modulation of human mGluR2 receptor expressed in CHO cell membranes assessed as inhibition of glutamate responses after 30 mins by [35S]GTPgammaS binding assay
50045783	1	ChEMBL_1475514 (CHEMBL3424507)	Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 1 receptor expressed in CHO cell membranes incubated for 180 mins
50045783	2	ChEMBL_1475513 (CHEMBL3424506)	Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 4 receptor expressed in CHO cell membranes incubated for 180 mins
50045783	3	ChEMBL_1475512 (CHEMBL3424505)	Agonist activity at human somatostatin 4 receptor expressed in H4 cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation incubated for 60 mins by time-resolved fluorescence assay
50045783	4	ChEMBL_1475517 (CHEMBL3424543)	Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 5 receptor expressed in CHO cell membranes incubated for 180 mins
50045783	5	ChEMBL_1475516 (CHEMBL3424542)	Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 3 receptor expressed in CHO cell membranes incubated for 180 mins
50045783	6	ChEMBL_1475515 (CHEMBL3424541)	Displacement of [3-125l-Tyr]-somatostatin-(1 -14) from human recombinant somatostatin 2 receptor expressed in CHO cell membranes incubated for 180 mins
50045784	1	ChEMBL_1475546 (CHEMBL3424572)	Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by ELISA
50045784	2	ChEMBL_1475545 (CHEMBL3424571)	Binding affinity to human GR
50017100	1	ChEMBL_334702 (CHEMBL862536)	Inhibitory activity against PARP1
50017103	1	ChEMBL_330220 (CHEMBL859247)	Inhibitory activity against human PARP1 expressed in PC12 cells
50017104	5	ChEMBL_334148 (CHEMBL868299)	Inhibition of recombinant human cathepsin K in a fluorescence assay
50017104	1	ChEMBL_334151 (CHEMBL868302)	Inhibition of recombinant human cathepsin L in a fluorescence assay
50017104	4	ChEMBL_334149 (CHEMBL868300)	Inhibition of recombinant human cathepsin B in a fluorescence assay
50017104	3	ChEMBL_334158 (CHEMBL868309)	Inhibition of rat cathepsin K
50017106	3	ChEMBL_334179 (CHEMBL866473)	Displacement of [3H]N-alpha-methylhistamine from guinea pig histamine H3 receptor
50017106	1	ChEMBL_334181 (CHEMBL866475)	Inhibition of CYP2D6 by human liver microsome assay
50017106	2	ChEMBL_334182 (CHEMBL866476)	Inhibition of CYP2D6 by supersome assay
50017106	4	ChEMBL_334185 (CHEMBL867137)	Inhibitory activity against CYP3A4
50017107	1	ChEMBL_349444 (CHEMBL865696)	Displacement of [125I]NDP-alpha-MSH from cloned human MC4R expressed in HEK293 cells
50017107	4	ChEMBL_349447 (CHEMBL865699)	Displacement of [125I]NDP-alpha-MSH from cloned human MC5R expressed in HEK293 cell
50017107	2	ChEMBL_349445 (CHEMBL865697)	Displacement of [125I]NDP-alpha-MSH from cloned human MC1R expressed in HEK293 cell
50045784	3	ChEMBL_1475552 (CHEMBL3424578)	Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by ELISA
50017108	1	ChEMBL_330195 (CHEMBL859232)	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates
50045784	4	ChEMBL_1475554 (CHEMBL3424580)	Binding affinity to human AR
50045784	5	ChEMBL_1475555 (CHEMBL3424581)	Binding affinity to human PR
50045784	6	ChEMBL_1475556 (CHEMBL3424582)	Binding affinity to human ER-alpha
50045784	7	ChEMBL_1475557 (CHEMBL3424583)	Binding affinity to human ER-beta
50045785	1	ChEMBL_1475560 (CHEMBL3424621)	Agonist activity at mouse TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay
50017112	1	ChEMBL_334048 (CHEMBL862382)	Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA
50017113	4	ChEMBL_334207 (CHEMBL866443)	Inhibition of Integrin alpha-2b-beta-3 receptor by SPRA assay
50017113	2	ChEMBL_334211 (CHEMBL866446)	Inhibition of Integrin alphav-beta6 receptor expressed in HT29 cell line
50017113	3	ChEMBL_334206 (CHEMBL866442)	Inhibition of Integrin alphav-beta3 receptor by SPRA assay
50017113	6	ChEMBL_334209 (CHEMBL865264)	Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells
50017113	5	ChEMBL_334208 (CHEMBL865253)	Inhibition of Integrin alphav-beta1 receptor expressed in HEK293 cell line
50017113	1	ChEMBL_334210 (CHEMBL866445)	Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell line
50017114	2	ChEMBL_334936 (CHEMBL859265)	Inhibition of farnesyltransferase activity
50017114	1	ChEMBL_334939 (CHEMBL862381)	Inhibition of farnesyltransferase activity in COS7 cells transfected with Ras gene in soft agar proliferation
50017115	1	ChEMBL_334135 (CHEMBL866436)	Inhibition of DNA polymerase3C from Staphylococcus aureus
50017116	1	ChEMBL_349600 (CHEMBL866277)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor
50017116	2	ChEMBL_349601 (CHEMBL866278)	Displacement of [3H]paroxetine from 5HT reuptake site
50017118	3	ChEMBL_333514 (CHEMBL866453)	Displacement of [3H]diprenorphine from human cloned kappa opioid receptor
50017118	4	ChEMBL_333516 (CHEMBL866455)	Inhibition of loperamide-stimulated [35S]GTP-gamma-S binding to membranes containing mu opioid receptor
50045785	2	ChEMBL_1475559 (CHEMBL3424620)	Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay
50045786	1	ChEMBL_1475670 (CHEMBL3424829)	Inhibition of recombinant P300 (unknown origin)
50045786	2	ChEMBL_1475671 (CHEMBL3424830)	Inhibition of recombinant CBP (unknown origin)
50045786	3	ChEMBL_1475675 (CHEMBL3424834)	Noncompetitive inhibition of P300 (unknown origin) using biotinylated H3 as substrate after 15 mins by double reciprocal plot analysis
50045786	4	ChEMBL_1475676 (CHEMBL3424835)	Noncompetitive inhibition of P300 (unknown origin) using acetyl CoA as substrate after 15 mins by double reciprocal plot analysis
50045786	5	ChEMBL_1475662 (CHEMBL3424791)	Inhibition of PCAF (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate
50045786	6	ChEMBL_1475663 (CHEMBL3424792)	Inhibition of P300 (unknown origin) using histone H3/[acetyl-3H]-acetyl coenzyme A as substrate
50045786	7	ChEMBL_1475665 (CHEMBL3424794)	Binding affinity to human recombinant P300 catalytic domain by SPR analysis
50045787	1	ChEMBL_1475758 (CHEMBL3424991)	Inhibition of human wild-type TTK (514 to 795) expressed in insect sf9 cells
50045787	2	ChEMBL_1475759 (CHEMBL3424992)	Inhibition of Dyrk1A (unknown origin)
50045787	3	ChEMBL_1475760 (CHEMBL3424993)	Inhibition of Dyrk2 (unknown origin)
50045787	4	ChEMBL_1475745 (CHEMBL3424978)	Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins
50017123	2	ChEMBL_334855 (CHEMBL871172)	Inhibition of ATPase activity of Helicase4 from Escherichia coli in presence of ATP (5x Km(ATP)) and dT25 (5x KDNA)
50017123	1	ChEMBL_334858 (CHEMBL867067)	Inhibition of ATPase activity of Tyr473Ala mutated Helicase4 in presence of ATP (5x Km(ATP)) and dT25 (5x KDNA)
50017125	1	ChEMBL_334743 (CHEMBL854129)	Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50017125	2	ChEMBL_334744 (CHEMBL854130)	Displacement of N-[3H]methylhistamine from rat histamine H3 receptor in rat cortical hemispheres
50017126	2	ChEMBL_333818 (CHEMBL864088)	Effect on binding to ER in Ad5-wt-ER-infected HAECT1 cells by creatine kinase expression
50017126	1	ChEMBL_333816 (CHEMBL865275)	Inhibition of binding to ER in Ad5-wt-ER-infected HAECT1 cells by NF-kappaB-mediated luciferase reporter
50017127	1	ChEMBL_326505 (CHEMBL864472)	Displacement of [3H]dopamine from human DAT expressed in COS7 cells
50017127	3	ChEMBL_326506 (CHEMBL864473)	Displacement of [3H]dopamine from human NET expressed in COS7 cells
50017127	4	ChEMBL_326508 (CHEMBL864475)	Displacement of [3H]CFT from human DAT expressed in COS7 cells
50017127	2	ChEMBL_326507 (CHEMBL864474)	Displacement of [3H]5HT from human SERT expressed in COS7 cells
50017129	3	ChEMBL_325795 (CHEMBL862701)	Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate
50017129	1	ChEMBL_325793 (CHEMBL862699)	Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate
50017129	4	ChEMBL_325794 (CHEMBL862700)	Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate
50045787	5	ChEMBL_1475744 (CHEMBL3424977)	Inhibition of GST-tagged Dyrk4 (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid scintillation counting analysis
50045787	6	ChEMBL_1475743 (CHEMBL3424976)	Inhibition of GST-tagged Dyrk2 (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid scintillation counting analysis
50045787	7	ChEMBL_1475742 (CHEMBL3424944)	Inhibition of GST-tagged Dyrk1B (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid scintillation counting analysis
50045787	8	ChEMBL_1475741 (CHEMBL3424943)	Inhibition of GST-tagged Dyrk1A (unknown origin) expressed in Escherichia coli using [33P]ATP[gammaP]/DYRKtide as substrate after 5 mins by liquid scintillation counting analysis
50045787	9	ChEMBL_1475748 (CHEMBL3424981)	Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expressed in baculovirus infected Sf21 insect cells using fluorescence substrate after 60 mins by caliper off-chip incubation mobility shift assay
50045787	10	ChEMBL_1475747 (CHEMBL3424980)	Inhibition of human recombinant N-terminal His6-tagged IGF-1R using fluorescence substrate after 80 mins by caliper off-chip incubation mobility shift assay
50045787	11	ChEMBL_1475746 (CHEMBL3424979)	Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation overexpressed in monkey COS1 cells after 5 hrs by ELISA
50045788	1	ChEMBL_1475905 (CHEMBL3425266)	Displacement of [125I][MePhe7]NKB from human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50045788	2	ChEMBL_1475906 (CHEMBL3425267)	Displacement of [125I]NKA from human NK2R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50045788	3	ChEMBL_1475775 (CHEMBL3425008)	Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis
50045788	4	ChEMBL_1475764 (CHEMBL3424997)	Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50045788	5	ChEMBL_1475765 (CHEMBL3424998)	Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ bioluminescence assay
50045788	6	ChEMBL_1475768 (CHEMBL3425001)	Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system
50045788	7	ChEMBL_1475769 (CHEMBL3425002)	Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system
50017131	1	ChEMBL_326618 (CHEMBL863462)	Inhibitory activity against human thrombin
50017133	1	ChEMBL_326510 (CHEMBL864538)	Displacement of [3H]propionylCCK8 from rat pancreatic CCK1
50017133	2	ChEMBL_326511 (CHEMBL864539)	Displacement of [3H]propionylCCK8 from rat cerebral cortex CCK2
50045788	8	ChEMBL_1475770 (CHEMBL3425003)	Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system
50045788	9	ChEMBL_1475771 (CHEMBL3425004)	Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system
50017135	2	ChEMBL_326286 (CHEMBL864497)	Inhibition of human ACAT1 expressed in Hi5 cells
50017135	1	ChEMBL_326287 (CHEMBL864498)	Inhibition of human ACAT2 expressed in Hi5 cells
50017135	3	ChEMBL_326285 (CHEMBL864496)	Inhibition of ACAT expressed in rat liver microsomes
50017136	1	ChEMBL_325740 (CHEMBL864530)	Displacement of [3H]DAMGO from recombinant human mu opioid receptor
50017139	1	ChEMBL_326472 (CHEMBL864467)	Inhibitory activity against dynamin1 GTPase expressed in sheep brain
50017140	3	ChEMBL_326721 (CHEMBL859799)	Inhibitory activity against recombinant yeast Sir2
50017140	2	ChEMBL_326725 (CHEMBL859745)	Inhibitory activity against human SIRT2
50017140	1	ChEMBL_326723 (CHEMBL859743)	Inhibitory activity against human SIRT1
50017141	1	ChEMBL_325687 (CHEMBL864546)	Inhibitory activity against recombinant human adenosine kinase
50045788	10	ChEMBL_1475772 (CHEMBL3425005)	Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration system
50045788	11	ChEMBL_1475773 (CHEMBL3425006)	Inhibition of human ERG expressed in HEK293 cells after 5 mins by patch-clamp assay
50045788	12	ChEMBL_1475774 (CHEMBL3425007)	Displacement of [3H]-SB222200 from monkey NK3R after 90 mins by scintillation counting analysis
50045788	13	ChEMBL_1475776 (CHEMBL3425009)	Displacement of [3H]-Substance P from human NK1R after 90 mins by scintillation counting analysis
50045788	14	ChEMBL_1475777 (CHEMBL3425010)	Displacement of [125I]-neurokinin A from human NK2R after 90 mins by scintillation counting analysis
50045789	1	ChEMBL_1475908 (CHEMBL3425269)	Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after 30 mins by fluorescence assay
50045789	2	ChEMBL_1475909 (CHEMBL3425270)	Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay
50045789	3	ChEMBL_1474028 (CHEMBL3423886)	Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay
50017143	1	ChEMBL_326517 (CHEMBL864540)	Displacement of [3H]QNB from EGFP(delta-17)human M1 receptor expressed in HEK cells
50045789	4	ChEMBL_1474031 (CHEMBL3423889)	Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay
50045789	5	ChEMBL_1474032 (CHEMBL3423890)	Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay
50045789	6	ChEMBL_1474033 (CHEMBL3423891)	Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay
50045789	7	ChEMBL_1474034 (CHEMBL3423892)	Inhibition of human recombinant CYP2D6 after 30 mins by fluorescence assay
50045789	8	ChEMBL_1474035 (CHEMBL3423893)	Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assay
50045790	1	ChEMBL_1474068 (CHEMBL3423963)	Inhibition of human cKit V560G mutant by millipore radiometric assay
50045790	2	ChEMBL_1474069 (CHEMBL3423964)	Inhibition of human cKit by millipore radiometric assay
50045790	3	ChEMBL_1474070 (CHEMBL3423965)	Inhibition of human Ret V804L mutant by millipore radiometric assay
50045790	4	ChEMBL_1474071 (CHEMBL3423966)	Inhibition of human Ret V804M mutant by millipore radiometric assay
50045790	5	ChEMBL_1474072 (CHEMBL3423967)	Inhibition of human Ret by millipore radiometric assay
50045790	6	ChEMBL_1474073 (CHEMBL3423968)	Inhibition of human JNK3 by millipore radiometric assay
50045790	7	ChEMBL_1474074 (CHEMBL3423969)	Inhibition of human MAPK1 by millipore radiometric assay
50045790	8	ChEMBL_1474076 (CHEMBL3423971)	Inhibition of human MELK by millipore radiometric assay
50045790	9	ChEMBL_1474077 (CHEMBL3423972)	Inhibition of human MuSK by millipore radiometric assay
50045790	10	ChEMBL_1474078 (CHEMBL3423973)	Inhibition of PLK4 (unknown origin) by indirect ELISA detection system
50045790	11	ChEMBL_1474079 (CHEMBL3423974)	Inhibition of TTK (unknown origin) transfected in human HCT116 cells after 4 hrs by near infrared imager analysis
50045790	12	ChEMBL_1474080 (CHEMBL3423975)	Inhibition of AURKA (unknown origin) transfected in human HCT116 cells after 4 hrs by near infrared imager analysis
50045790	13	ChEMBL_1474082 (CHEMBL3423977)	Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in presence of ATP
50045790	14	ChEMBL_1474180 (CHEMBL3424198)	Inhibition of human His-tagged TTK (510 to 857)-mediated MBP phosphorylation after 20 mins by scintillation counting analysis in presence of gamma-[32P]ATP
50045790	15	ChEMBL_1474181 (CHEMBL3424199)	Inhibition of human TTK-mediated MAD1/MAD2 complex phosphorylation after 1 hr by scintillation counting analysis in presence of gamma-[32P]ATP
50045790	16	ChEMBL_1474182 (CHEMBL3424200)	Inhibition of TTK (unknown origin) using p38 MAPK as substrate by fluorescence assay
50045790	17	ChEMBL_1474183 (CHEMBL3424201)	Inhibition of human TTK
50045790	18	ChEMBL_1474037 (CHEMBL3423895)	Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by indirect ELISA detection system
50045790	19	ChEMBL_1474042 (CHEMBL3423900)	Inhibition of recombinant AURKA (unknown origin) preincubated for 15 mins prior to ATP addition by FRET-based homogenous assay
50045790	20	ChEMBL_1474043 (CHEMBL3423901)	Inhibition of recombinant KDR (unknown origin) preincubated for 15 mins prior to ATP addition by FRET-based homogenous assay
50045790	21	ChEMBL_1474044 (CHEMBL3423902)	Inhibition of human CYP3A4 using BFC as substrate preincubated for 10 mins followed by enzyme/substrate addition measured after 30 mins by fluorescence assay
50045791	1	ChEMBL_1474191 (CHEMBL3424209)	Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr
50045792	1	ChEMBL_1474254 (CHEMBL3424347)	Inhibition of bovine tubulin polymerization by turbidity assay
50045793	1	ChEMBL_1474434 (CHEMBL3423723)	Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay
50045793	2	ChEMBL_1474439 (CHEMBL3423728)	Inhibition of CYP1A2 (unknown origin)
50045793	3	ChEMBL_1474495 (CHEMBL3423784)	Inhibition of CYP3A4 (unknown origin)
50045793	4	ChEMBL_1474496 (CHEMBL3423785)	Inhibition of CYP2C19 (unknown origin)
50045793	5	ChEMBL_1474497 (CHEMBL3423786)	Inhibition of human ERG expressed in CHO cells
50045793	6	ChEMBL_1474435 (CHEMBL3423724)	Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell free assay
50045793	7	ChEMBL_1474436 (CHEMBL3423725)	Inhibition of CatD (unknown origin) assessed as fluorescence polarization by cell free assay
50045793	8	ChEMBL_1474440 (CHEMBL3423729)	Inhibition of CYP2C8 (unknown origin)
50045793	9	ChEMBL_1474441 (CHEMBL3423730)	Inhibition of CYP2D6 in human liver microsomes
50017148	1	ChEMBL_333489 (CHEMBL867096)	Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay
50017148	3	ChEMBL_333491 (CHEMBL867099)	Inhibition of Integrin alphaV Beta6 receptor in HT29 cells by solid-phase receptor binding assay
50017148	2	ChEMBL_333490 (CHEMBL867098)	Inhibition of Integrin alphaIIb Beta3 receptor by solid-phase receptor binding assay
50017150	1	ChEMBL_332689 (CHEMBL858931)	Displacement of [125I]-labeled substance P from cloned human NK1 receptor expressed in CHO cells
50017150	2	ChEMBL_332690 (CHEMBL858932)	Displacement of [35S]-labeled MK499 from cloned hERG potassium channel expressed in HEK cells
50024798	1	ChEMBL_547025 (CHEMBL1036023)	Inhibition of xanthine oxidase
50024799	2	ChEMBL_547029 (CHEMBL1036027)	Inhibition of rat recombinant DNA polymerase beta in presence of bovine serum albumin
50024799	3	ChEMBL_547030 (CHEMBL1036028)	Inhibition of rat recombinant DNA polymerase beta in absence of bovine serum albumin
50024799	1	ChEMBL_547031 (CHEMBL1036029)	Activity of rat recombinant DNA polymerase beta using variable levels of DNA template-primer
50045794	1	ChEMBL_1474510 (CHEMBL3423799)	Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH oxidation by spectrophotometric analysis
50045794	2	ChEMBL_1474511 (CHEMBL3423800)	Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH oxidation preincubated for 5 mins with NADPH followed by substrate addition by spectrophotometric analysis
50045795	1	ChEMBL_1474520 (CHEMBL3423809)	Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-electrode voltage clamp assay
50045796	1	ChEMBL_1474527 (CHEMBL3423816)	Inhibition of human CYP1A1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay
50045796	2	ChEMBL_1474528 (CHEMBL3423817)	Inhibition of human CYP1A2 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay
50045796	3	ChEMBL_1474535 (CHEMBL3423824)	Inhibition of CYP1B1 in TCDD-stimulated human MCF7 cells assessed as inhibition of anticancer drug resistance by measuring docetaxel cytotoxic IC50 at 5 uM after 48 hrs by MTT assay (Rvb = 139.8 +/- 11.5 microM)
50045796	4	ChEMBL_1474536 (CHEMBL3423825)	Inhibition of CYP1B1 in TCDD-stimulated human MCF7 cells assessed as inhibition of anticancer drug resistance by measuring docetaxel cytotoxic IC50 at 10 uM after 48 hrs by MTT assay (Rvb = 139.8 +/- 11.5 microM)
50045796	5	ChEMBL_1474526 (CHEMBL3423815)	Inhibition of human CYP1B1 assessed as reduction in 7-ethoxyresorufin O-deethylation activity by fluorescence based EROD assay
50045796	6	ChEMBL_1474525 (CHEMBL3423814)	Inhibition of human recombinant CYP1A1 expressed in Escherichia coli membranes assessed as reduction in 7-ethoxyresorufin O-deethylation activity
50045796	7	ChEMBL_1474524 (CHEMBL3423813)	Inhibition of human recombinant CYP1A2 expressed in Escherichia coli membranes assessed as reduction in 7-ethoxyresorufin O-deethylation activity
50045796	8	ChEMBL_1474523 (CHEMBL3423812)	Inhibition of human recombinant CYP1B1 expressed in Escherichia coli membranes assessed as reduction in 7-ethoxyresorufin O-deethylation activity
50045797	1	ChEMBL_1474539 (CHEMBL3423828)	Inhibition of human CD38 by HPLC analysis
50045798	1	ChEMBL_1474545 (CHEMBL3423834)	Inhibition of human recombinant TDP1 assessed as hydrolysis of N14Y to N14P after 15 mins by PAGE analysis
50045799	1	ChEMBL_1474616 (CHEMBL3423932)	Agonist activity at human wild-type KISS1R expressed in HEK293 cells assessed as induction of intracellular Ca2+ mobilization after 30 mins by Fluo4 NW Ca2+ assay
50017158	3	ChEMBL_339940 (CHEMBL862356)	Inhibition of noradrenaline re-uptake at human noradrenaline transporter expressed in HEK293 cells
50017158	1	ChEMBL_339939 (CHEMBL862305)	Inhibition of dopamine re-uptake at human dopamine transporter expressed in HEK293 cells
50017158	2	ChEMBL_339938 (CHEMBL862304)	Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells
50045799	2	ChEMBL_1474637 (CHEMBL3423987)	Agonist activity at human NPFF1R expressed in CHO cells assessed as effect on forskolin-induced cAMP accumulation after 15 mins by luminescence based assay
50017161	1	ChEMBL_340011 (CHEMBL862302)	Inhibition of DPP4
50045800	1	ChEMBL_1475134 (CHEMBL3424812)	Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay
50045800	2	ChEMBL_1475135 (CHEMBL3424813)	Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by patch-clamp electrophysiology assay
50017164	1	ChEMBL_339864 (CHEMBL862301)	Affinity for adenosine A1 receptor in CHO membranes
50017165	1	ChEMBL_332923 (CHEMBL854074)	[3H]Gabapentin binding in human A710 membrane expressing alpha-2delta subunit of calcium channel
50017166	3	ChEMBL_331144 (CHEMBL862245)	Inhibitory activity against PDGFRbeta kinase
50017166	4	ChEMBL_331141 (CHEMBL862242)	Inhibitory activity against EGFR kinase
50017166	2	ChEMBL_331143 (CHEMBL862244)	Inhibitory activity against FGFR1 kinase
50017166	1	ChEMBL_331142 (CHEMBL862243)	Inhibitory activity against VEGFR2 kinase
50017168	1	ChEMBL_339977 (CHEMBL862189)	Inhibition of VEGFR2 by enzymatic assay
50017168	2	ChEMBL_339978 (CHEMBL862190)	Inhibition of VEGFR1 by enzymatic assay
50017170	1	ChEMBL_339444 (CHEMBL866523)	Displacement of [125I]IMPY from beta amyloid plaque in brain homogenates
50045800	3	ChEMBL_1475131 (CHEMBL3424809)	Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting
50017173	1	ChEMBL_337893 (CHEMBL868375)	Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells
50017175	4	ChEMBL_337676 (CHEMBL867696)	Intrinsic activity assessed by stimulation of [35S]GTP-gamma-S binding in CHO cells expressing 5HT1A receptor
50017175	2	ChEMBL_337674 (CHEMBL867694)	Displacement of [3H]paroxetine from rat cortical 5-HT reuptake
50017175	1	ChEMBL_337675 (CHEMBL867695)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells
50017177	1	ChEMBL_325303 (CHEMBL859710)	Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 in CHO cell membrane
50017178	1	ChEMBL_325469 (CHEMBL860040)	Displacement of [3H]CHA from cloned human adenosine A1 receptor expressed in CHO cells
50017178	2	ChEMBL_325466 (CHEMBL861067)	Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes
50017178	3	ChEMBL_325462 (CHEMBL860036)	Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical membranes
50017178	4	ChEMBL_325473 (CHEMBL860157)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50017178	5	ChEMBL_325471 (CHEMBL860042)	Displacement of [3H]NECA from cloned human adenosine A2A receptor expressed in CHO cells
50017179	1	ChEMBL_326222 (CHEMBL867576)	Inhibitory activity against Bacillus subtilis AcpS by HTRF assay
50017180	3	ChEMBL_326348 (CHEMBL867587)	Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes
50017180	2	ChEMBL_326349 (CHEMBL867588)	Ability to inhibit [3H]5-HT uptake through SERT in rat synaptosomes
50017180	1	ChEMBL_326350 (CHEMBL867589)	Ability to inhibit [3H]NE uptake through NET in rat synaptosomes
50017181	2	ChEMBL_326369 (CHEMBL859748)	Binding affinity to human EAAT2 expressed in HEK293 cells in FMP (FLPR) assay
50017181	1	ChEMBL_326370 (CHEMBL859749)	Binding affinity to human EAAT3 expressed in HEK293 cells in FMP (FLPR) assay
50017181	3	ChEMBL_326368 (CHEMBL859747)	Binding affinity to human EAAT1 expressed in HEK293 cells in FMP (FLPR) assay
50045801	1	ChEMBL_1475151 (CHEMBL3424869)	Inhibition of GST-tagged Tankyrases 1 (unknown origin) by autoPARsylationassay
50045801	2	ChEMBL_1475152 (CHEMBL3424870)	Inhibition of GST-tagged Tankyrases 2 (unknown origin) by autoPARsylationassay
50045802	1	ChEMBL_1475279 (CHEMBL3425139)	Inhibition of recombinant human PFKFB2 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay
50045802	2	ChEMBL_1475280 (CHEMBL3425140)	Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay
50017184	2	ChEMBL_326436 (CHEMBL867594)	Displacement of [3H]DAMGO from mu opioid receptor expressed in rat brain synaptosomal membranes
50017184	1	ChEMBL_326435 (CHEMBL867593)	Displacement of [3H]deltorphin-II from delta opioid receptor in rat brain synaptosomal membranes
50017184	3	ChEMBL_326438 (CHEMBL867596)	Agonistic activity at delta opioid receptor in mouse vas deferens
50017184	4	ChEMBL_326441 (CHEMBL867599)	Agonistic activity at mu opioid receptor in myenteric plexus longitudinal muscle of guinea pig ileum
50017185	6	ChEMBL_325283 (CHEMBL859694)	Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay
50017185	2	ChEMBL_325278 (CHEMBL859689)	Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay
50017185	5	ChEMBL_325282 (CHEMBL859693)	Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay
50017185	1	ChEMBL_325279 (CHEMBL859690)	Inhibitory activity against recombinant human SIRT2 expressed in Escherichia coli by fluorimetric assay
50017185	3	ChEMBL_325280 (CHEMBL859691)	Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay
50017186	2	ChEMBL_325428 (CHEMBL858658)	Inhibitory activity against COMT in rat brain
50017186	1	ChEMBL_325427 (CHEMBL858657)	Inhibitory activity against COMT in rat liver
50017187	1	ChEMBL_326312 (CHEMBL868228)	Inhibitory activity against human butyryl cholinesterase
50017188	4	ChEMBL_326414 (CHEMBL864478)	Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate
50017188	1	ChEMBL_326421 (CHEMBL864479)	Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate
50017188	2	ChEMBL_326412 (CHEMBL864476)	Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate
50017188	3	ChEMBL_326420 (CHEMBL860287)	Inhibitory activity against trypanothione reductase from Trypanosoma cruzi using 0.12 mM TSST substrate
50017189	1	ChEMBL_326376 (CHEMBL867569)	Inhibitory activity against HIV1 protease expressed in Escherichia coli in a fluorometric assay
50017191	1	ChEMBL_339825 (CHEMBL862176)	Inhibition of JNK3
50017191	2	ChEMBL_339826 (CHEMBL862177)	Inhibition of JNK1
50017191	3	ChEMBL_339827 (CHEMBL862178)	Inhibition of p38alpha
50045802	3	ChEMBL_1475334 (CHEMBL3425231)	Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis
50045802	4	ChEMBL_1475335 (CHEMBL3425232)	Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs
50017194	1	ChEMBL_338453 (CHEMBL865343)	Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4
50017196	1	ChEMBL_340187 (CHEMBL863775)	Inhibitory activity against wild type Escherichia coli gyrase
50017196	2	ChEMBL_340188 (CHEMBL864372)	Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4
50017197	1	ChEMBL_338550 (CHEMBL867194)	Inhibitory activity against NET
50017197	2	ChEMBL_338548 (CHEMBL867192)	Inhibitory activity against SERT
50017197	3	ChEMBL_338547 (CHEMBL867191)	Displacement of [3H]paroxetine from SERT
50017197	4	ChEMBL_338549 (CHEMBL867193)	Inhibitory activity against DAT
50017199	2	ChEMBL_338345 (CHEMBL866541)	Inhibition of human TR-alpha-1 by radioligand binding assay
50017199	1	ChEMBL_338346 (CHEMBL866542)	Inhibition of human TR-beta-1 by radioligand binding assay
50017203	1	ChEMBL_338400 (CHEMBL866546)	Inhibition of Pseudomonas aeruginosa DnaB helicase
50017204	3	ChEMBL_339770 (CHEMBL862180)	Inhibition of PTP1B
50017204	1	ChEMBL_339771 (CHEMBL862182)	Inhibition of VHR DS-PTP
50017205	2	ChEMBL_341082 (CHEMBL860628)	Inhibition of rat liver mitochondria MAOA
50017205	1	ChEMBL_341083 (CHEMBL860629)	Inhibition of rat liver mitochondria MAOB
50017206	1	ChEMBL_338529 (CHEMBL867190)	Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells
50017209	1	ChEMBL_335752 (CHEMBL860595)	Inhibition of recombinant human PARP1
50017211	21	ChEMBL_340092 (CHEMBL861242)	Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells
50017211	19	ChEMBL_340093 (CHEMBL861243)	Displacement of [3H]5HT from human recombinant 5HT2B receptor expressed in CHO cells
50017211	7	ChEMBL_340094 (CHEMBL861244)	Displacement of [3H]5HT from human recombinant 5HT2C receptor expressed in CHO cells
50017211	8	ChEMBL_340110 (CHEMBL863740)	Binding affinity to 5HT transporter
50017211	17	ChEMBL_340100 (CHEMBL861250)	Binding affinity to 5HT1A receptor
50017211	11	ChEMBL_340111 (CHEMBL863741)	Binding affinity to NA transporter
50017211	3	ChEMBL_340106 (CHEMBL863737)	Binding affinity to 5HT7 receptor
50017211	20	ChEMBL_340115 (CHEMBL865567)	Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method
50017211	15	ChEMBL_340112 (CHEMBL863742)	Binding affinity to DA transporter
50017211	9	ChEMBL_340105 (CHEMBL863736)	Binding affinity to 5HT3 receptor
50017211	12	ChEMBL_340097 (CHEMBL861247)	Efficacy against human recombinant 5HT2C receptor induced intracellular calcium mobilization in CHO cells by FLIPR
50017211	6	ChEMBL_340099 (CHEMBL861249)	Binding affinity to 5HT1D receptor
50017211	10	ChEMBL_340102 (CHEMBL861252)	Binding affinity to 5HT5A receptor
50017211	18	ChEMBL_340101 (CHEMBL861251)	Binding affinity to 5HT1B receptor
50017211	14	ChEMBL_340096 (CHEMBL861246)	Efficacy against human recombinant 5HT2B receptor induced intracellular calcium mobilization in CHO cells by FLIPR
50017211	5	ChEMBL_340104 (CHEMBL863735)	Binding affinity to D4 receptor
50017211	13	ChEMBL_340103 (CHEMBL861253)	Binding affinity to 5HT6 receptor
50017211	2	ChEMBL_340109 (CHEMBL863739)	Binding affinity to mu type opioid receptor
50017211	1	ChEMBL_340108 (CHEMBL863738)	Binding affinity to beta-1 adrenergic receptor
50017212	1	ChEMBL_338364 (CHEMBL866544)	Inhibition of D-glucose uptake mediated by PfHT expressed in Xenopus oocytes
50017214	5	ChEMBL_349700 (CHEMBL866291)	Transactivation of RXRgamma in CV1 cells by cotransfection assay
50017214	2	ChEMBL_349699 (CHEMBL866290)	Binding affinity to RXRbeta
50017214	1	ChEMBL_349696 (CHEMBL866287)	Transactivation of RXRalpha in CV1 cells by cotransfection assay
50017214	4	ChEMBL_349698 (CHEMBL866289)	Transactivation of RXRbeta in CV1 cells by cotransfection assay
50017214	6	ChEMBL_349701 (CHEMBL865142)	Binding affinity to RXRgamma
50017214	3	ChEMBL_349697 (CHEMBL866288)	Binding affinity to RXRalpha
50045802	5	ChEMBL_1475278 (CHEMBL3425138)	Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay
50017215	7	ChEMBL_335081 (CHEMBL859198)	Activity against human MC1BR by cAMP accumulation
50017215	3	ChEMBL_335080 (CHEMBL859197)	Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells
50017215	4	ChEMBL_335083 (CHEMBL859200)	Activity against human MC4R by cAMP accumulation
50017216	2	ChEMBL_339232 (CHEMBL867220)	Inhibitory activity against VEGFR-1 using 2 uM ATP by HTRF assay
50017216	1	ChEMBL_339231 (CHEMBL866567)	Inhibitory activity against VEGFR-2 using 2 uM ATP by HTRF assay
50017219	4	ChEMBL_325327 (CHEMBL860162)	Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A2A receptor in CHO cells
50017219	2	ChEMBL_325326 (CHEMBL860161)	Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A1 receptor in CHO cells
50017219	3	ChEMBL_325328 (CHEMBL860163)	Binding affinity to human adenosine A3 receptor in CHO cells
50017219	8	ChEMBL_325330 (CHEMBL860165)	Binding affinity to rat adenosine A3 receptor in CHO cells
50045803	1	ChEMBL_1475363 (CHEMBL3425296)	Inhibition of recombinant HDAC1 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay
50017220	1	ChEMBL_325347 (CHEMBL858654)	Stimulation of phospholipase C in 1321N1 astrocytoma cells transfected with human P2Y6 receptor
50017221	1	ChEMBL_325355 (CHEMBL861055)	Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes
50017221	2	ChEMBL_325354 (CHEMBL861054)	Displacement of [3H]deltorphin II from rat delta opioid receptor in brain P2 synaptosomes
50017221	4	ChEMBL_325358 (CHEMBL861058)	Functional bioactivity against mu opioid receptor in guinea-pig ileum
50017221	3	ChEMBL_325357 (CHEMBL861057)	Functional bioactivity against delta opioid receptor in mouse vas deferens
50017225	15	ChEMBL_325211 (CHEMBL861464)	Antiproliferative activity against PDGF-BB stimulated HCASMC
50017225	4	ChEMBL_325224 (CHEMBL861478)	Inhibitory activity against EGFR
50045803	2	ChEMBL_1475364 (CHEMBL3425297)	Inhibition of recombinant HDAC2 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay
50017225	7	ChEMBL_325223 (CHEMBL861477)	Inhibitory activity against HER2
50017225	18	ChEMBL_325232 (CHEMBL861593)	Inhibitory activity against LCK
50017225	13	ChEMBL_325228 (CHEMBL861589)	Inhibitory activity against CDK2
50017225	19	ChEMBL_325231 (CHEMBL861592)	Inhibitory activity against c-SRC
50017225	3	ChEMBL_325238 (CHEMBL861599)	Inhibitory activity against FAK
50017225	12	ChEMBL_325227 (CHEMBL861481)	Inhibitory activity against CDK1
50017225	22	ChEMBL_325236 (CHEMBL861597)	Inhibitory activity against MAPK
50017225	11	ChEMBL_325226 (CHEMBL861480)	Inhibitory activity against c-ABL
50017225	14	ChEMBL_325229 (CHEMBL861590)	Inhibitory activity against CDK4
50017225	5	ChEMBL_325225 (CHEMBL861479)	Inhibitory activity against bFGFR1
50017225	21	ChEMBL_325233 (CHEMBL861594)	Inhibitory activity against FYN
50017225	8	ChEMBL_325221 (CHEMBL861475)	Inhibitory activity against PDGFRalpha
50017225	17	ChEMBL_325230 (CHEMBL861591)	Inhibitory activity against CDK7
50017228	3	ChEMBL_325381 (CHEMBL861061)	Functional activity at human PPAR alpha in Huh7 cells by transactivation assay
50017228	4	ChEMBL_325380 (CHEMBL861060)	Functional activity at human PPAR gamma in Huh7 cells by transactivation assay
50017228	1	ChEMBL_325379 (CHEMBL861059)	Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay
50017228	2	ChEMBL_325382 (CHEMBL861062)	Functional activity at human PPAR delta in Huh7 cells by transactivation assay
50017230	2	ChEMBL_325518 (CHEMBL860173)	Binding affinity for FGF1 by BIAcore solution affinity assay
50017230	1	ChEMBL_325519 (CHEMBL859218)	Binding affinity for FGF2 by BIAcore solution affinity assay
50017230	4	ChEMBL_325520 (CHEMBL859219)	Binding affinity for VEGF by BIAcore solution affinity assay
50017230	3	ChEMBL_325521 (CHEMBL860314)	Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay
50045803	3	ChEMBL_1475365 (CHEMBL3425298)	Inhibition of recombinant HDAC8 (unknown origin) using fluorogenic substrate Boc-Lys (acetyl)-AMC after 20 mins by homogeneous fluorescence release assay
50045804	1	ChEMBL_1475486 (CHEMBL3424479)	Inhibition of human CYP11B1 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis
50045804	2	ChEMBL_1475487 (CHEMBL3424480)	Inhibition of human CYP11B2 expressed in hamster fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 45 mins by HPLC analysis
50045804	3	ChEMBL_1475488 (CHEMBL3424481)	Inhibition of human CYP19 expressed in hamster fibroblast using 500 nM [1beta-3H] androstenedione as substrate by HPLC analysis
50045804	4	ChEMBL_1475489 (CHEMBL3424482)	Inhibition of rat CYP11B1 expressed in hamster fibroblast using 500 nM [3H]-11-deoxycorticosterone as substrate after 7 hrs by HPLC analysis
50045805	1	ChEMBL_1475499 (CHEMBL3424492)	Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells using L-Arginine substrate incubated for 2 hrs by fluorescence spectrometry
50045806	1	ChEMBL_1475588 (CHEMBL3424649)	Inhibition of PARP1 (unknown origin)
50045807	1	ChEMBL_1475608 (CHEMBL3424702)	Inhibition of human Casein kinase 1 epsilon
50045808	1	ChEMBL_1475692 (CHEMBL3424851)	Inhibition of MK499 binding to human ERG
50017235	1	ChEMBL_325182 (CHEMBL861460)	Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry
50017235	2	ChEMBL_325183 (CHEMBL861461)	Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry
50017236	2	ChEMBL_325600 (CHEMBL860282)	Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells
50017236	1	ChEMBL_325613 (CHEMBL860224)	Binding affinity to histamine H3 receptor
50017238	1	ChEMBL_335699 (CHEMBL860566)	Inhibition of KDR
50017238	2	ChEMBL_335700 (CHEMBL860567)	Inhibition of human KDR expressed in HEK293 cells by KDR autophosphorylation assay
50017240	1	ChEMBL_341068 (CHEMBL866588)	Inhibition of recombinant human cathepsin K by fluorescence assay
50017241	3	ChEMBL_339212 (CHEMBL866559)	Agonist potency at MC4 receptor
50017241	4	ChEMBL_339209 (CHEMBL866556)	Binding affinity to MC1 receptor
50017242	1	ChEMBL_338314 (CHEMBL866538)	Agonist activity as induced proliferation in Ba/F3-hTpoR murine lymphocyte expressing human TPOR
50045808	2	ChEMBL_1475693 (CHEMBL3424852)	Inhibition of human ERG expressed in CHO cells by Patch express assay
50045809	1	ChEMBL_1475711 (CHEMBL3424913)	Inhibition of EphB4 (unknown origin) by fluorescence-based enzymatic assay
50045810	1	ChEMBL_1475712 (CHEMBL3424914)	Inhibition of human alpha-thrombin using tPa (CH3SO2-D-Cha-Gly-Arg-pNA.AcOH) as chromogenic substrate by kinetic photometric assay
50024825	1	ChEMBL_552087 (CHEMBL999151)	Inhibition of horse serum BChE by Ellman's reaction
50045811	1	ChEMBL_1475739 (CHEMBL3424941)	Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration assay
50045811	2	ChEMBL_1475738 (CHEMBL3424940)	Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay
50045811	3	ChEMBL_1475737 (CHEMBL3424939)	Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay
50045811	4	ChEMBL_1475802 (CHEMBL3425068)	Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration assay
50017247	1	ChEMBL_340412 (CHEMBL863749)	Displacement of [3H]haTRAP from PAR1 in human platelet membrane
50017248	1	ChEMBL_336082 (CHEMBL865933)	Inhibition of COX1 by canine whole blood assay
50017248	2	ChEMBL_336080 (CHEMBL865931)	Inhibition of COX2 by canine whole blood assay
50017250	1	ChEMBL_335115 (CHEMBL859206)	Inhibition of CYP19
50017251	2	ChEMBL_335665 (CHEMBL860565)	Displacement of [3H]MPEP from mGluR5d in rat brain membrane
50017251	1	ChEMBL_335664 (CHEMBL860564)	Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR
50017252	2	ChEMBL_339094 (CHEMBL869552)	Inhibitory activity against SGLT2 expressed in CHO-K1 cells
50017252	1	ChEMBL_339093 (CHEMBL869549)	Inhibitory activity against SGLT1 expressed in CHO-K1 cells
50017253	1	ChEMBL_335548 (CHEMBL859414)	Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain
50017254	1	ChEMBL_340807 (CHEMBL867681)	Inhibition of isolated human calpain1
50017255	1	ChEMBL_340860 (CHEMBL868329)	Inhibitory activity against EGFR
50017257	2	ChEMBL_336038 (CHEMBL865929)	Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells
50017257	1	ChEMBL_336032 (CHEMBL867164)	Displacement of [125I]-labeled substance P from the cloned human NK1 receptor expressed in CHO cells
50017261	5	ChEMBL_339274 (CHEMBL867227)	Binding affinity to human PPAR alpha
50017261	6	ChEMBL_339275 (CHEMBL867228)	Binding affinity to human PPAR delta
50017261	3	ChEMBL_339276 (CHEMBL867229)	Binding affinity to human PPAR gamma
50017261	2	ChEMBL_339279 (CHEMBL868414)	Transactivation by human PPAR gamma in COS1 cells
50017261	4	ChEMBL_339277 (CHEMBL867230)	Transactivation by human PPAR alpha in COS1 cells
50017261	1	ChEMBL_339278 (CHEMBL867231)	Transactivation by human PPAR delta in COS1 cells
50017263	2	ChEMBL_340782 (CHEMBL869459)	Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha1 receptor plus beta3gamma2
50017263	3	ChEMBL_340784 (CHEMBL869461)	Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha5 receptor plus beta3gamma2
50017263	1	ChEMBL_340783 (CHEMBL869460)	Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha3 receptor plus beta3gamma2
50017264	1	ChEMBL_340909 (CHEMBL860635)	Activity against LXR alpha transiently transfected in HEK293 cells
50017265	1	ChEMBL_340948 (CHEMBL866514)	Inhibition of VEGFR2 by HTRF assay
50017266	2	ChEMBL_339397 (CHEMBL866053)	Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor
50045812	1	ChEMBL_1475938 (CHEMBL3425335)	Agonist activity at CB1 receptor in rat cerebellar membranes after 90 mins by [35S]-GTPgammaS assay
50045812	2	ChEMBL_1475935 (CHEMBL3425332)	Agonist activity at human CB2 receptor transfected in CHO cell membranes after 90 mins by [35S]-GTPgammaS assay
50045812	3	ChEMBL_1475933 (CHEMBL3425330)	Displacement of [3H]-CP-55940 from recombinant human CB2 receptor overexpressed in HEK293 cell membranes after 90 mins
50017268	1	ChEMBL_340228 (CHEMBL863772)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells
50017268	2	ChEMBL_340229 (CHEMBL863773)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha2 receptor plus beta-3-gamma-2 expressed in mouse L(tk-) cells
50017268	3	ChEMBL_340231 (CHEMBL862572)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50017268	4	ChEMBL_340230 (CHEMBL863774)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50017269	1	ChEMBL_340478 (CHEMBL862582)	Displacement of [3H]Ro 15-1788 from human GABA-Aalpha3 receptor plus beta-3-gamma-2 expressed in mouse L(tk-) cells
50017269	2	ChEMBL_340477 (CHEMBL864376)	Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta-3-gamma-2 expressed in mouse L(tk-) cells
50017270	2	ChEMBL_340361 (CHEMBL864402)	Inhibition of 17beta-HSD3
50017270	1	ChEMBL_340362 (CHEMBL864403)	Inhibition of 17beta-HSD3 by SEAP assay
50017271	2	ChEMBL_340926 (CHEMBL869518)	Displacement of [3H]CP-55940 from mouse spleen CB2 receptor
50017271	1	ChEMBL_340925 (CHEMBL869517)	Displacement of [3H]CP-55940 from rat brain CB1 receptor
50045812	4	ChEMBL_1475932 (CHEMBL3425329)	Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins
50045813	1	ChEMBL_1474093 (CHEMBL3424026)	Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular Ca2+ level pre-treated 5 mins before icilin stimulation by Fluo-4-AM dye based spectrofluorimetry
50017278	2	ChEMBL_329796 (CHEMBL869436)	Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922
50017278	1	ChEMBL_329797 (CHEMBL854373)	Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213
50017280	9	ChEMBL_329819 (CHEMBL862782)	Binding affinity to MMP1
50017280	7	ChEMBL_329829 (CHEMBL862792)	Binding affinity to MMP7
50017280	2	ChEMBL_329821 (CHEMBL862784)	Binding affinity to MMP3
50017280	4	ChEMBL_329826 (CHEMBL862789)	Binding affinity to MMP8
50017280	5	ChEMBL_329823 (CHEMBL862786)	Binding affinity to MMP13
50017280	3	ChEMBL_329820 (CHEMBL862783)	Binding affinity to MMP2
50045813	2	ChEMBL_1474094 (CHEMBL3424027)	Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level pre-treated 5 mins before capsaicin stimulation by Fluo-4-AM dye based spectrofluorimetry
50045813	3	ChEMBL_1474092 (CHEMBL3424025)	Agonist activity at rat TRPM8 expressed in HEK293 cells assessed as induction of intracellular Ca2+ level by Fluo-4-AM dye based spectrofluorimetry
50045814	1	ChEMBL_1474096 (CHEMBL3424029)	Inhibition of FDPS (unknown origin)
50045814	2	ChEMBL_1474098 (CHEMBL3424031)	Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using GPP and [14C]IPP as substrate treated with enzyme for 10 mins prior to substrate challenge for 30 mins by liquid scintillation counting analysis
50045815	1	ChEMBL_1474109 (CHEMBL3424042)	Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate assessed as formation of p-nitrophenol preincubated for 15 mins followed by substrate addition measured after 15 mins
50017282	2	ChEMBL_329856 (CHEMBL870577)	Inhibitory activity on AP1 using ELISA based AP1 DNA binding
50017282	1	ChEMBL_329857 (CHEMBL870579)	Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells
50017283	21	ChEMBL_329923 (CHEMBL868784)	Binding affinity to CB1 receptor
50017283	31	ChEMBL_329917 (CHEMBL868777)	Binding affinity to NET
50017283	1	ChEMBL_329942 (CHEMBL868803)	Binding affinity to mu opioid receptor
50017283	15	ChEMBL_329930 (CHEMBL868791)	Binding affinity to DAT
50017283	10	ChEMBL_329936 (CHEMBL868797)	Binding affinity to histamine H3 receptor
50017283	6	ChEMBL_329938 (CHEMBL868799)	Binding affinity to hERG
50017283	43	ChEMBL_329899 (CHEMBL870613)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50017283	8	ChEMBL_329934 (CHEMBL868795)	Binding affinity to histamine H1 receptor
50017283	41	ChEMBL_329904 (CHEMBL869441)	Binding affinity to human 5HT6 receptor
50017283	52	ChEMBL_329945 (CHEMBL868806)	Binding affinity to SERT
50017283	37	ChEMBL_330006 (CHEMBL868780)	Binding affinity to VMAT2
50017283	49	ChEMBL_329948 (CHEMBL868809)	Binding affinity to neurotrophin receptor
50017283	38	ChEMBL_329911 (CHEMBL869448)	Binding affinity to adrenergic alpha-2C receptor
50017283	47	ChEMBL_329905 (CHEMBL869442)	Binding affinity to human 5HT7 receptor
50017283	22	ChEMBL_329924 (CHEMBL868785)	Binding affinity to CB2 receptor
50017283	45	ChEMBL_329907 (CHEMBL869444)	Binding affinity to adenosine A3 receptor
50017283	50	ChEMBL_329947 (CHEMBL868808)	Binding affinity to VMAT1
50017283	2	ChEMBL_329941 (CHEMBL868802)	Binding affinity to MDR1
50017283	46	ChEMBL_329908 (CHEMBL869445)	Binding affinity to adenosine A4 receptor
50017283	33	ChEMBL_329919 (CHEMBL868779)	Binding affinity to sigma1 receptor
50017283	25	ChEMBL_329921 (CHEMBL868782)	Binding affinity to vasopressin 2 receptor
50017283	19	ChEMBL_329925 (CHEMBL868786)	Binding affinity to dopamine D1 receptor
50017283	20	ChEMBL_329926 (CHEMBL868787)	Binding affinity to dopamine D2 receptor
50017283	11	ChEMBL_329937 (CHEMBL868798)	Binding affinity to histamine H4 receptor
50017283	39	ChEMBL_329910 (CHEMBL869447)	Binding affinity to adrenergic alpha-2A receptor
50017283	53	ChEMBL_329900 (CHEMBL870614)	Binding affinity to human 5HT2A receptor
50017283	40	ChEMBL_329903 (CHEMBL869440)	Binding affinity to human 5HT5A receptor
50017283	18	ChEMBL_329928 (CHEMBL868789)	Binding affinity to dopamine D4 receptor
50017283	42	ChEMBL_329901 (CHEMBL870615)	Binding affinity to human 5HT2C receptor
50017283	7	ChEMBL_329939 (CHEMBL868800)	Binding affinity to kappa opioid receptor
50017283	26	ChEMBL_329912 (CHEMBL868813)	Binding affinity to adrenergic beta-1 receptor
50017283	16	ChEMBL_329929 (CHEMBL868790)	Binding affinity to dopamine D5 receptor
50045816	1	ChEMBL_1474128 (CHEMBL3424102)	Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay
50017283	28	ChEMBL_329914 (CHEMBL868771)	Binding affinity to adrenergic beta-3 receptor
50017283	17	ChEMBL_329927 (CHEMBL868788)	Binding affinity to dopamine D3 receptor
50017283	9	ChEMBL_329935 (CHEMBL868796)	Binding affinity to histamine H2 receptor
50045816	2	ChEMBL_1474129 (CHEMBL3424103)	Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate by fluorescence assay
50045817	1	ChEMBL_1474204 (CHEMBL3424262)	Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS challenge measured after 24 hrs by Griess assay
50045818	1	ChEMBL_1474226 (CHEMBL3424284)	Inhibition of Escherichia coli ATCC 25922 recombinant N-His6-tagged FtsZ polymerization expressed in Escherichia coli BL21(DE3) incubated for 15 mins prior to GTP addition measured after 390 mins by malachite green staining-based GTPase assay
50045819	1	ChEMBL_1474249 (CHEMBL3424342)	Inhibition of Escherichia coli DNA gyrase after 1 hr by agarose gel electrophoresis
50045820	1	ChEMBL_1474331 (CHEMBL3423551)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHOK1 cells incubated for 60 mins by microbeta plate reader based method
50045820	2	ChEMBL_1474332 (CHEMBL3423552)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by microbeta plate reader based method
50045820	3	ChEMBL_1474251 (CHEMBL3424344)	Displacement of [3H]8-OH-DPAT from rat hippocampus 5-HT1A receptor incubated for 20 mins by microbeta plate reader based method
50045820	4	ChEMBL_1474334 (CHEMBL3423554)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells incubated for 60 mins by microbeta plate reader based method
50045821	1	ChEMBL_1474451 (CHEMBL3423740)	Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELISA
50045822	1	ChEMBL_1474458 (CHEMBL3423747)	Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant after 2 hrs by scintillation counting analysis
50045822	2	ChEMBL_1474457 (CHEMBL3423746)	Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant after 2 hrs by scintillation counting analysis
50045822	3	ChEMBL_1474456 (CHEMBL3423745)	Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counting analysis
50045822	4	ChEMBL_1474459 (CHEMBL3423748)	Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant after 1.5 hrs by scintillation counting analysis
50045822	5	ChEMBL_1474461 (CHEMBL3423750)	Displacement of [3H]-R-PIA from adenosine A1 receptor (unknown origin) expressed in sheep striatum membranes after 2 hrs by scintillation counting analysis
50045822	6	ChEMBL_1474462 (CHEMBL3423751)	Displacement of [3H]-ZM241385 from adenosine A2 receptor (unknown origin) expressed in sheep striatum membranes after 1.5 hrs by scintillation counting analysis
50045822	7	ChEMBL_1474464 (CHEMBL3423753)	Displacement of [3H]-SCH23390 from dopamine D1 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant after 1.5 hrs by scintillation counting analysis
50045823	1	ChEMBL_1474583 (CHEMBL3423872)	Antagonist activity at human mGluR1 expressed in human Chem-3 cells assessed as inhibition of L-glutamate-induced calcium release by calcium-5 reagent-based fluorescence assay
50045823	2	ChEMBL_1474584 (CHEMBL3423873)	Antagonist activity at human mGluR5 expressed in human embryonic kidney cells assessed as inhibition of L-glutamate-induced calcium release by calcium-5 reagent-based fluorescence assay
50045824	1	ChEMBL_1474893 (CHEMBL3423529)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate after 30 mins by fluorescence assay
50045824	2	ChEMBL_1474894 (CHEMBL3423530)	Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate after 30 mins
50045824	3	ChEMBL_1474896 (CHEMBL3423532)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 0 min followed by substrate addition by fluorescence assay
50045824	4	ChEMBL_1474897 (CHEMBL3423533)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 30 mins followed by substrate addition by fluorescence assay
50045824	5	ChEMBL_1474898 (CHEMBL3423534)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate preincubated with protein for 60 mins followed by substrate addition by fluorescence assay
50045825	1	ChEMBL_1475035 (CHEMBL3424606)	Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporation assay
50045825	2	ChEMBL_1475047 (CHEMBL3424618)	Inhibition of transglutaminase 2 (unknown origin)
50045825	3	ChEMBL_1475048 (CHEMBL3424619)	Inhibition of F13-A in human plasma assessed as inhibition of fibrin clot formation by biotin incorporation assay in presence of 1 mM reduced GSH
50045826	1	ChEMBL_1475050 (CHEMBL3424652)	Inhibition of chymotrypsin-like activity of human beta-5 subunit of 20S proteasome using Suc-LLVY-AMC as substrate by fluorometer analysis
50045827	1	ChEMBL_1476964 (CHEMBL3430219)	Inhibition of wild type N-terminal His6-tagged human EGFR kinase domain (702 to 1016 residues) expressed in Sf9 cells pre-incubated for 30 mins before ATP and substrate addition by homogeneous time-resolved FRET assay
50017286	2	ChEMBL_329871 (CHEMBL870601)	Activity against human EAAT2 transfected in HEK293 cells
50017286	8	ChEMBL_329870 (CHEMBL870600)	Activity against human EAAT1 transfected in HEK293 cells
50017286	7	ChEMBL_329877 (CHEMBL869422)	Activity against mGluR2
50017286	1	ChEMBL_329872 (CHEMBL870602)	Activity against human EAAT3 transfected in HEK293 cells
50017289	2	ChEMBL_330068 (CHEMBL865780)	Inhibitory activity against Trypanosoma cruzi hexokinase
50017289	1	ChEMBL_330072 (CHEMBL858875)	Inhibitory activity against FPPS in Leishmania major
50045827	2	ChEMBL_1476965 (CHEMBL3430220)	Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) L858R mutant expressed in Sf9 cells pre-incubated for 30 mins before ATP and substrate addition by homogeneous time-resolved FRET assay
50045827	3	ChEMBL_1476966 (CHEMBL3430221)	Inhibition of GST-tagged human recombinant EGFR catalytic domain (668 to 1210 amino acids) T790M/L858R mutant expressed in Sf9 cells pre-incubated for 30 mins before ATP and substrate addition by homogeneous time-resolved FRET assay
50045828	1	ChEMBL_1477131 (CHEMBL3428440)	Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand binding method
50045829	1	ChEMBL_1477140 (CHEMBL3428449)	Displacement of MK499 from human ERG
50045829	2	ChEMBL_1477141 (CHEMBL3428450)	Inhibition of human ERG expressed in CHO cells measured over 5 mins by patch clamp assay
50045829	3	ChEMBL_1477149 (CHEMBL3428458)	Inhibition of human ERG
50045830	1	ChEMBL_1477164 (CHEMBL3428604)	Inhibition human HPGDS expressed in Escherichia coli assessed as reduction in GST enzymatic activity using MCBL and glutathione incubated for 30 mins by fluorescence based assay
50017293	2	ChEMBL_330114 (CHEMBL863394)	Displacement of [3H]R-PIA from human adenosine A1 receptor transfected in CHO cells
50017293	3	ChEMBL_330118 (CHEMBL863398)	Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells
50017293	1	ChEMBL_330116 (CHEMBL863396)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor transfected in HEK293 cells
50017297	6	ChEMBL_329328 (CHEMBL863551)	Inhibitory activity against 5HT6 receptor
50017297	12	ChEMBL_329318 (CHEMBL863541)	Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells
50017297	11	ChEMBL_329319 (CHEMBL860341)	Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells
50017297	7	ChEMBL_329321 (CHEMBL863544)	Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells
50017297	4	ChEMBL_329326 (CHEMBL863549)	Inhibitory activity against 5HT4 receptor
50017297	1	ChEMBL_329320 (CHEMBL863543)	Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells
50017297	17	ChEMBL_329317 (CHEMBL863540)	Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats
50017297	20	ChEMBL_329315 (CHEMBL863411)	Inhibition of [125I]DOI binding to 5HT2A receptor in rat cerebral cortex
50017297	9	ChEMBL_329323 (CHEMBL863546)	Inhibitory activity against 5HT1B receptor
50017297	24	ChEMBL_329336 (CHEMBL863559)	Activity at 5HT7 receptor expressed in human corneal epithelial CEPI-17-CL4 cells by adenylyl cyclase assay
50045830	2	ChEMBL_1477162 (CHEMBL3428602)	Inhibition HPGDS in human MEG01 cells assessed as reduction in PGD2 production incubated for 30 mins followed by stimulation with 5 uM ionomycin for 30 mins by enzyme immunoassay method
50017297	13	ChEMBL_329330 (CHEMBL868731)	Inhibitory activity against adrenergic alpha-1B receptor
50017297	26	ChEMBL_329329 (CHEMBL863552)	Inhibitory activity against adrenergic alpha-1A receptor
50017297	14	ChEMBL_329331 (CHEMBL863553)	Displacement of [3H]clonidine from cloned human adrenergic alpha2A receptor expressed in Sf9 cells
50017297	18	ChEMBL_329335 (CHEMBL863558)	Agonistic activity at cloned human 5HT1A receptor expressed in CHO cells by inhibition of forskolin-induced cAMP production
50017297	19	ChEMBL_329332 (CHEMBL863554)	Displacement of [3H]clonidine from cloned human adrenergic Alpha-2C receptor expressed in Sf9 cells
50017297	16	ChEMBL_329334 (CHEMBL863557)	Inhibitory activity against SERT
50045830	3	ChEMBL_1477161 (CHEMBL3428601)	Binding affinity to human HPGDS expressed in Escherichia coli by isothermal titration calorimetry
50017297	25	ChEMBL_329337 (CHEMBL863560)	Activity at adrenergic alpha-2A receptor expressed in human clonic adenocarcinoma HT29 cell by adenylyl cyclase assay
50017297	21	ChEMBL_329333 (CHEMBL863556)	Inhibitory activity against NET
50045830	4	ChEMBL_1477160 (CHEMBL3428600)	Binding affinity to human HPGDS expressed in Escherichia coli using 1-phenylpyrazole-4-carboxylic acid/6-(3-fluorophenyl)pyridine-3-carboxamide as reporter probe by ligand-observed 1D NMR T1rho binding assay
50017297	10	ChEMBL_329324 (CHEMBL863547)	Inhibitory activity against 5HT1D receptor
50017297	5	ChEMBL_329327 (CHEMBL863550)	Inhibitory activity against 5HT5A receptor
50017298	1	ChEMBL_329541 (CHEMBL858777)	Inhibitory activity against tyrosinase in human melanocytes
50017300	2	ChEMBL_329486 (CHEMBL861746)	Displacement of [3H]spiroperidol from cloned human dopamine receptor D2(long) expressed in rat C6 glioma cells
50017300	1	ChEMBL_329485 (CHEMBL861745)	Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expressed in CHO cells
50017302	1	ChEMBL_329523 (CHEMBL859806)	Inhibition of Her2 degradation in human breast cancer SKBr3 cell line
50017302	4	ChEMBL_329528 (CHEMBL859862)	Binding affinity to Hsp90 in heart tissue
50017302	2	ChEMBL_329524 (CHEMBL859807)	Inhibitory activity against Hsp90 in human breast cancer MDA-MB-468 cell line
50017302	3	ChEMBL_329521 (CHEMBL859805)	Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell line
50017302	5	ChEMBL_329527 (CHEMBL859861)	Binding affinity to Hsp90 in lung tissue
50017304	2	ChEMBL_329643 (CHEMBL865836)	Inhibitory activity against human B-RAF
50017304	1	ChEMBL_329644 (CHEMBL865837)	Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB
50017312	2	ChEMBL_335929 (CHEMBL861280)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50017312	1	ChEMBL_335930 (CHEMBL861281)	Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50045830	5	ChEMBL_1477159 (CHEMBL3428468)	Inhibition fluorescein-conjugated ligand binding to human HPGDS expressed in Escherichia coli by fluorescence polarization assay
50017315	1	ChEMBL_344257 (CHEMBL867756)	Binding affinity to F7a/TF complex
50017316	1	ChEMBL_346487 (CHEMBL863793)	Inhibition of cathepsin B from human brain
50017317	1	ChEMBL_339195 (CHEMBL867748)	Inhibition of EGFR
50017317	2	ChEMBL_339196 (CHEMBL867749)	Inhibition of EGFR autophosphorylation in DiFi cells
50017319	1	ChEMBL_340343 (CHEMBL865582)	Binding affinity to ERalpha
50017319	2	ChEMBL_340344 (CHEMBL865583)	Binding affinity to ERbeta
50017319	3	ChEMBL_340347 (CHEMBL867743)	Binding affinity to ERbeta in HTRF coactivator recruitment assay
50017319	4	ChEMBL_340346 (CHEMBL867742)	Binding affinity to ERbeta in presence of serum
50017320	1	ChEMBL_344178 (CHEMBL868878)	Binding affinity to plasma kallikrein
50017321	1	ChEMBL_346436 (CHEMBL863780)	Inhibition of EGFR kinase activity
50045831	1	ChEMBL_1477171 (CHEMBL3428611)	Inhibition of human recombinant COX2 pre-incubated for 15 mins followed by addition of heme and fluorometric substrate and further incubated for 15 mins in presence of arachidonic acid by fluorescence based assay
50017325	1	ChEMBL_344110 (CHEMBL868868)	Inhibition of thrombin
50017326	1	ChEMBL_344060 (CHEMBL869528)	Displacement of [125I]-labeled substance P from human cloned NK1 receptor expressed in CHO cells
50017326	2	ChEMBL_344061 (CHEMBL868863)	Displacement of [35S]-labeled MK499 from cloned hERG expressed in HEK cells
50017327	1	ChEMBL_327163 (CHEMBL859549)	Inhibitory activity against MEK1
50045831	2	ChEMBL_1477170 (CHEMBL3428610)	Inhibition of ovine COX1 pre-incubated for 15 mins followed by addition of heme and fluorometric substrate and further incubated for 15 mins in presence of arachidonic acid by fluorescence based assay
50045832	1	ChEMBL_1477382 (CHEMBL3429484)	Displacement of [3H]-(S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in CHOK1 cells by radioligand binding assay
50017331	4	ChEMBL_330172 (CHEMBL863525)	Inhibitory activity against MMP15
50017331	2	ChEMBL_330170 (CHEMBL863523)	Inhibitory activity against MMP12
50017331	6	ChEMBL_330166 (CHEMBL863519)	Inhibitory activity against MMP1
50017331	7	ChEMBL_330167 (CHEMBL863520)	Inhibitory activity against MMP2
50017331	3	ChEMBL_330173 (CHEMBL863526)	Inhibitory activity against MMP16
50017331	5	ChEMBL_330174 (CHEMBL865846)	Inhibitory activity against MMP26
50045832	2	ChEMBL_1477381 (CHEMBL3429483)	Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHOK1 cells by radioligand binding assay
50017334	1	ChEMBL_326997 (CHEMBL863529)	Inhibition of low pH activation of rat TRPV1
50045832	3	ChEMBL_1477384 (CHEMBL3429486)	Antagonist activity against human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR assay
50045832	4	ChEMBL_1477383 (CHEMBL3429485)	Antagonist activity against human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intercellular Ca2+ mobilization by FLIPR assay
50017335	1	ChEMBL_329657 (CHEMBL865844)	Inhibition of Co2+ loaded MetAP expressed in Escherichia coli
50017336	1	ChEMBL_329719 (CHEMBL864628)	Inhibition of MIF
50017339	1	ChEMBL_327150 (CHEMBL864040)	Inhibition of telomerase activity from human A2780 cells
50017342	2	ChEMBL_327200 (CHEMBL859561)	Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells
50017343	27	ChEMBL_327317 (CHEMBL858959)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L300K
50017343	21	ChEMBL_327266 (CHEMBL865793)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111A
50017343	37	ChEMBL_327320 (CHEMBL858962)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D302N
50017343	31	ChEMBL_327323 (CHEMBL858965)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305D
50017343	52	ChEMBL_327331 (CHEMBL858983)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315A
50017343	35	ChEMBL_327321 (CHEMBL858963)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D302Q
50017343	40	ChEMBL_327295 (CHEMBL865189)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203K
50017343	69	ChEMBL_327304 (CHEMBL864655)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y284L
50017343	55	ChEMBL_327275 (CHEMBL865169)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118A
50017343	61	ChEMBL_327285 (CHEMBL865179)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182E
50017343	63	ChEMBL_327280 (CHEMBL865174)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S124A
50017343	5	ChEMBL_327258 (CHEMBL865157)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR M24A
50017343	47	ChEMBL_327271 (CHEMBL865165)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112K
50017343	68	ChEMBL_327300 (CHEMBL864651)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR W280F
50017343	39	ChEMBL_327294 (CHEMBL865188)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203E
50017343	36	ChEMBL_327299 (CHEMBL865825)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q208E
50017343	13	ChEMBL_327311 (CHEMBL858953)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293N
50017343	50	ChEMBL_327333 (CHEMBL858853)	Displacement of [125I]-His5, D-Tyr6]GnRH from human wild type GnRHR
50017343	33	ChEMBL_327322 (CHEMBL858964)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305A
50017343	57	ChEMBL_327328 (CHEMBL858970)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F309L
50017343	56	ChEMBL_327329 (CHEMBL858971)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F309Q
50017343	71	ChEMBL_327301 (CHEMBL864652)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y283F
50017343	62	ChEMBL_327284 (CHEMBL865178)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H182A
50017343	38	ChEMBL_327293 (CHEMBL865187)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K191E
50017343	59	ChEMBL_327283 (CHEMBL865177)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S168I
50017343	44	ChEMBL_327292 (CHEMBL865186)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR T190K
50017343	58	ChEMBL_327327 (CHEMBL858969)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H306K
50017343	46	ChEMBL_327273 (CHEMBL865167)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K115Q
50017343	6	ChEMBL_327307 (CHEMBL858949)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290Q
50017343	12	ChEMBL_327314 (CHEMBL858956)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295K
50017343	20	ChEMBL_327267 (CHEMBL865794)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111K
50017343	18	ChEMBL_327262 (CHEMBL865789)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N27E
50017343	25	ChEMBL_327319 (CHEMBL858961)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D302A
50017343	3	ChEMBL_327259 (CHEMBL865158)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR M24I
50017343	16	ChEMBL_327260 (CHEMBL865159)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR M24T
50017343	65	ChEMBL_327286 (CHEMBL865180)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S186D
50017343	17	ChEMBL_327263 (CHEMBL865790)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR A50T
50017343	49	ChEMBL_327332 (CHEMBL858984)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N315D
50017343	28	ChEMBL_327326 (CHEMBL858968)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H306E
50017343	4	ChEMBL_327306 (CHEMBL858948)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290L
50017343	14	ChEMBL_327310 (CHEMBL858952)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293K
50017343	8	ChEMBL_327308 (CHEMBL858950)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR W291F
50017343	54	ChEMBL_327277 (CHEMBL865171)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S118N
50017343	51	ChEMBL_327330 (CHEMBL858972)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F313L
50017343	43	ChEMBL_327291 (CHEMBL865185)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189P
50017343	60	ChEMBL_327282 (CHEMBL865176)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S168A
50017343	70	ChEMBL_327303 (CHEMBL864654)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y284F
50017343	41	ChEMBL_327296 (CHEMBL865190)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203P
50017343	10	ChEMBL_327312 (CHEMBL858954)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293E
50017343	9	ChEMBL_327313 (CHEMBL858955)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295A
50017343	2	ChEMBL_327305 (CHEMBL865830)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Y290F
50017343	48	ChEMBL_327270 (CHEMBL865797)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112F
50017343	11	ChEMBL_327315 (CHEMBL858957)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E295Q
50017343	64	ChEMBL_327287 (CHEMBL865181)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S186K
50017343	24	ChEMBL_327268 (CHEMBL865795)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR E111Q
50017343	15	ChEMBL_327261 (CHEMBL865160)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N27A
50017343	23	ChEMBL_327269 (CHEMBL865796)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L112A
50017343	45	ChEMBL_327274 (CHEMBL865168)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L117A
50017343	30	ChEMBL_327324 (CHEMBL858966)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR N305K
50017343	19	ChEMBL_327264 (CHEMBL865791)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR T51A
50017343	26	ChEMBL_327316 (CHEMBL858958)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L300A
50017343	34	ChEMBL_327298 (CHEMBL865824)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q208D
50017343	1	ChEMBL_327309 (CHEMBL858951)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR D293A
50017343	42	ChEMBL_327290 (CHEMBL865184)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189K
50017343	29	ChEMBL_327325 (CHEMBL858967)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR H306A
50017343	66	ChEMBL_327289 (CHEMBL865183)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189E
50017343	22	ChEMBL_327318 (CHEMBL858960)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR L300V
50017343	32	ChEMBL_327297 (CHEMBL865191)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR S203Q
50017343	53	ChEMBL_327278 (CHEMBL865172)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR K121A
50017343	7	ChEMBL_327257 (CHEMBL865156)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR F272L
50017343	67	ChEMBL_327288 (CHEMBL865182)	Displacement of [125I]-His5, D-Tyr6]GnRH from mutant GnRHR, GnRHR Q189A
50017344	2	ChEMBL_327234 (CHEMBL862800)	Inhibition of recombinant CpG methylase M.SssI
50017344	1	ChEMBL_327233 (CHEMBL862798)	Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells
50017348	2	ChEMBL_327080 (CHEMBL859578)	Displacement of [3H]-[1-beta,2beta]-testosterone from 5alpha reductase2 in human prostrate homogenate
50017348	1	ChEMBL_327084 (CHEMBL859582)	Displacement of [3H]androstenedione from 5-alpha reductase1 in rat ventral prostrate homogenate at pH 6.6
50045833	1	ChEMBL_1477653 (CHEMBL3428032)	Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treated with compound for 10 mins prior to substrate addition by UV spectrophotometer analysis
50045833	2	ChEMBL_1477654 (CHEMBL3428033)	Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectrophotometer analysis
50045834	1	ChEMBL_1477014 (CHEMBL3427867)	Inhibition of human immunodeficiency virus-1 reverse transcriptase associated RNase H activity using using 18-nucleotide 3,-fluorescein-labeled RNA substrate by fluorescence resonance energy transfer assay
50045835	1	ChEMBL_1477222 (CHEMBL3428787)	Inhibition of TNF-alpha-stimulated NF-kappaB p50 (unknown origin) expressed in HEK293 cells preincubated for 4 hrs followed by TNF-alpha challenge measured after 24 hrs by secreted alkaline phosphatase reporter assay
50045836	1	ChEMBL_1477230 (CHEMBL3428795)	Inhibition of RET (unknown origin)
50045836	2	ChEMBL_1477234 (CHEMBL3428926)	Inhibition of RET (unknown origin) assessed as decrease in autophoshorylation
50045836	3	ChEMBL_1477235 (CHEMBL3428927)	Inhibition of RET (unknown origin) V804 mutant
50045836	4	ChEMBL_1477236 (CHEMBL3428928)	Inhibition of wild type RET (unknown origin) by cellular phosphorylation assay
50045837	1	ChEMBL_1477238 (CHEMBL3428930)	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as cAMP accumulation using [125I]cAMP by scintillation counting
50045837	2	ChEMBL_1477237 (CHEMBL3428929)	Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting
50045838	1	ChEMBL_1477698 (CHEMBL3428296)	Inhibition of human ACK1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay
50045838	2	ChEMBL_1477865 (CHEMBL3429144)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) peptide substrate by 33P Hotspot assay
50045838	3	ChEMBL_1477866 (CHEMBL3429145)	Inhibition of human TYK2 using KKSRGDYMTMQIG peptide substrate by 33P Hotspot assay
50045838	4	ChEMBL_1477867 (CHEMBL3429146)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG peptide substrate by 33P Hotspot assay
50045838	5	ChEMBL_1477868 (CHEMBL3429147)	Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate by 33P Hotspot assay
50045838	6	ChEMBL_1477869 (CHEMBL3429148)	Inhibition of human CHK1 using KKKVSRSGLYRSPSMPENLNRPR peptide substrate by 33P Hotspot assay
50045838	7	ChEMBL_1477870 (CHEMBL3429149)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) peptide substrate by 33P Hotspot assay
50045838	8	ChEMBL_1477871 (CHEMBL3429150)	Inhibition of human LCK using peptide poly[Glu:Tyr] (4:1) substrate by 33P Hotspot assay
50017351	3	ChEMBL_330191 (CHEMBL863509)	Inhibitory activity against CDK5/p25
50045838	9	ChEMBL_1477872 (CHEMBL3429151)	Inhibition of human ROS/ROS1 using KKKSPGEYVNIEFG peptide substrate by 33P Hotspot assay
50045838	10	ChEMBL_1477873 (CHEMBL3429152)	Inhibition of human c-Src using poly[Glu:Tyr] (4:1) peptide substrate by 33P Hotspot assay
50045838	11	ChEMBL_1477876 (CHEMBL3429155)	Inhibition of ACK1 kinase (unknown origin)
50045839	1	ChEMBL_1477878 (CHEMBL3429157)	Inhibition of CDC25B (unknown origin)
50045839	2	ChEMBL_1477879 (CHEMBL3429158)	Inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 residues) expressed in Escherichia coli BL21 (D3) using OMFP substrate after 30 mins by spectrophotometry
50045839	3	ChEMBL_1477880 (CHEMBL3429159)	Inhibition of PTP1B (unknown origin) using OMFP substrate after 20 mins by spectrophotometry
50045839	4	ChEMBL_1477889 (CHEMBL3429168)	Competitive inhibition of His6-tagged human recombinant Cdc25B catalytic domain (350 to 566 residues) expressed in Escherichia coli BL21 (D3) after 20 mins using OMFP substrate by Lineweaver-Burk plot
50045839	5	ChEMBL_1477896 (CHEMBL3429175)	Inhibition of Cdc25B-mediated entry in to mitosis in etoposide-treated human U2OS cells incubated for 16 hrs in presence of nocodazole by Hoechst 33342 staining based fluorescence microscopy
50045840	1	ChEMBL_1476126 (CHEMBL3428885)	Inhibition of PARP1 (unknown origin)
50017354	1	ChEMBL_330127 (CHEMBL858987)	Inhibition of Cryptococcus neoformans H99 PLB1activity
50017355	1	ChEMBL_339179 (CHEMBL867735)	Inhibition of TACE
50017355	3	ChEMBL_339181 (CHEMBL867737)	Inhibition of MMP13
50017355	4	ChEMBL_339180 (CHEMBL867736)	Inhibition of MMP1
50017355	2	ChEMBL_339185 (CHEMBL867689)	Inhibition of LPS-stimulated TNF production in human whole blood
50017357	3	ChEMBL_345891 (CHEMBL860852)	Inhibitory activity against human PTP1B
50017357	1	ChEMBL_345889 (CHEMBL860850)	Inhibitory activity against human Cdc25A phosphatase
50017357	2	ChEMBL_345890 (CHEMBL860851)	Inhibitory activity against human Cdc25B phosphatase
50017359	1	ChEMBL_346130 (CHEMBL862327)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHOK1 cells
50017366	1	ChEMBL_345726 (CHEMBL860880)	Displacement of [3H]MPEP from recombinant human mGlu5 receptor
50017366	2	ChEMBL_345727 (CHEMBL860999)	Inhibition of mGlu5 receptor by FLIPR
50017367	1	ChEMBL_345379 (CHEMBL861122)	Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells
50017368	1	ChEMBL_345008 (CHEMBL868957)	Inhibition of KSP by ATPase assay
50017368	2	ChEMBL_345010 (CHEMBL869626)	Inhibitory activity against human hERG receptor expressed in HEK cells
50017370	1	ChEMBL_345851 (CHEMBL860877)	Inhibition of recombinant Escherichia coli DXR
50017371	2	ChEMBL_346082 (CHEMBL862318)	Binding affinity to cloned human dopamine D3 receptor
50017371	1	ChEMBL_346083 (CHEMBL862319)	Binding affinity to cloned human dopamine D2 receptor
50024829	2	ChEMBL_526697 (CHEMBL970971)	Inhibition of EGFR
50024829	4	ChEMBL_526698 (CHEMBL970972)	Inhibition of c-Src
50024829	3	ChEMBL_526699 (CHEMBL970973)	Inhibition of CDK4
50024829	6	ChEMBL_526701 (CHEMBL970975)	Inhibition of CDK6
50024829	5	ChEMBL_526710 (CHEMBL971894)	Inhibition of LCK
50024841	1	ChEMBL_527026 (CHEMBL969922)	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding
50024841	2	ChEMBL_527027 (CHEMBL969923)	Agonist activity at human kappa opioid receptor-Galpha-16 fusion protein expressed in CHO cells by calcium flux assay
50045841	1	ChEMBL_1476665 (CHEMBL3428750)	Inhibition of LPS-induced COX2 in human whole blood assessed as reduction in PGH2 levels by radioimmunoassay
50024847	1	ChEMBL_527053 (CHEMBL980129)	Antiestrogenic activity at estrogen receptor alpha expressed in yeast cells assessed as inhibition of 17-beta-estradiol-induced beta-galactosidase activity by two hybrid assay
50017373	2	ChEMBL_345662 (CHEMBL870659)	Inhibition of human GHS receptor by binding assay
50017373	1	ChEMBL_345663 (CHEMBL859713)	Inhibition of human GHS receptor by FLIPR
50017374	1	ChEMBL_346327 (CHEMBL864973)	Inhibition of farnesyl transferase
50017375	1	ChEMBL_346016 (CHEMBL862313)	Inhibition of chk2 kinase
50017376	4	ChEMBL_345143 (CHEMBL867830)	Activity at rat EP4 transfected in HEK293 cells by cAMP accumulation
50017376	3	ChEMBL_345140 (CHEMBL869624)	Binding affinity to rat EP2 receptor expressed in HEK293 cells
50017376	2	ChEMBL_345142 (CHEMBL869627)	Binding affinity to rat EP4 receptor expressed in HEK293 cells
50017376	5	ChEMBL_345139 (CHEMBL869623)	Binding affinity to human EP1 receptor expressed in HEK293 cells
50017376	1	ChEMBL_345141 (CHEMBL869625)	Binding affinity to human EP3 receptor expressed in HEK293 cells
50045841	2	ChEMBL_1476666 (CHEMBL3428751)	Inhibition of LPS-induced COX1 in human whole blood assessed as reduction in TXB2 levels by radioimmunoassay
50017379	3	ChEMBL_347373 (CHEMBL865653)	Inhibitory activity against PDGFRbeta
50017379	1	ChEMBL_347371 (CHEMBL865651)	Inhibitory activity against VEGFR1
50017379	2	ChEMBL_347372 (CHEMBL865652)	Inhibitory activity against VEGFR2
50017379	4	ChEMBL_347374 (CHEMBL865654)	Inhibitory activity against FGFR1
50045841	3	ChEMBL_1476660 (CHEMBL3428745)	Inhibition of ovine COX-2 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay
50045841	4	ChEMBL_1476659 (CHEMBL3428744)	Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay
50045842	1	ChEMBL_1476694 (CHEMBL3428915)	Inhibition of mouse recombinant ATGL expressed in African green monkey COS7 cells assessed as reduction in triglyceride hydrolase activity using radio-labelled triolein substrate incubated for 1 hr by liquid scintillation counting
50017384	1	ChEMBL_331363 (CHEMBL867088)	Displacement of [3H]diprenorphin from cloned human mu opioid receptor expressed in CHO cells
50017384	5	ChEMBL_331364 (CHEMBL867089)	Displacement of [3H]U-69593 from cloned human kappa opioid receptor expressed in CHO cells
50017384	4	ChEMBL_331367 (CHEMBL865854)	Agonist activity on nociceptin-induced maximal [35S]GTP-gamma-S binding to ORL1 expressed in CHO cells
50045843	1	ChEMBL_1476762 (CHEMBL3429276)	Inhibition of recombinant mouse brain PDXP expressed in Escherichia coli BL21 (DE3) cells assessed as pyridoxal 5' phosphate dephosphorylation preincubated for 4 mins followed by substrate addition measured after 5 mins
50045844	1	ChEMBL_1476789 (CHEMBL3429443)	Inhibition of bovine brain tubulin assembly after 20 mins incubation by spectrophotometric analysis
50017385	2	ChEMBL_330311 (CHEMBL871150)	Displacement of [125I]D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat CCK receptor expressed in CHO cells
50017385	1	ChEMBL_330310 (CHEMBL871149)	Intrinsic agonistic activity at CCK receptor in SD rat at 1 uM expressed in pancreatic acinar cell line
50017386	2	ChEMBL_331204 (CHEMBL864055)	Displacement of [3H]raclopride from dopamine receptor D2 in rat striatal membrane
50045845	1	ChEMBL_1476877 (CHEMBL3429911)	Suppression of ER alpha in human MCF7 cells after 24 hrs by immunostaining analysis
50045845	2	ChEMBL_1476876 (CHEMBL3429910)	Binding affinity to ER alpha (unknown origin) by LanthaScreen TR-FRET competitive binding assay
50045845	3	ChEMBL_1476886 (CHEMBL3429920)	Inhibition of hERG channel by electrophysiology
50045845	4	ChEMBL_1476878 (CHEMBL3429912)	Antagonist activity at ER alpha in human MCF7 cells assessed as inhibition of estradiol-induced PR expression treated for 24 hrs after incubation with estradiol for 30 mins by laser scanning imaging cytometer analysis
50017388	2	ChEMBL_331288 (CHEMBL869978)	Inhibitory activity against Trypanosoma cruzi microsomal squalene synthase
50017388	1	ChEMBL_331287 (CHEMBL869977)	Inhibitory activity against Trypanosoma cruzi glycosomal squalene synthase
50017389	1	ChEMBL_330335 (CHEMBL869970)	Inhibition of isomerase activity of Cyclophilin A
50045845	5	ChEMBL_1476879 (CHEMBL3429913)	Agonist activity at ER alpha in human MCF7 cells assessed as PR gene expression after 24 hrs by laser scanning imaging cytometer analysis
50045846	1	ChEMBL_1477045 (CHEMBL3428001)	Inhibition of HDAC in human HeLa cell nuclear extract using Fluor de Lys as substrate incubated with compound for 30 mins by microtiter-plate reading flourimeter analysis
50045847	1	ChEMBL_1477251 (CHEMBL3428943)	Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintillation counting method
50045848	1	ChEMBL_1477261 (CHEMBL3428953)	Agonist activity at PPARgamma (unknown origin)
50045848	2	ChEMBL_1477257 (CHEMBL3428949)	Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay
50045849	1	ChEMBL_1477537 (CHEMBL3430114)	Inhibition of full length human PDE11A4 expressed in HEK cells by scintillation proximity assay
50045849	2	ChEMBL_1477536 (CHEMBL3430113)	Inhibition of 6-His-tagged rat recombinant PDE10A expressed in Sf9 cells using [3H]cAMP incubated for 60 mins by scintillation proximity assay
50045849	3	ChEMBL_1477535 (CHEMBL3430112)	Inhibition of 6-His-tagged human recombinant PDE9A1 expressed in Sf9 cells by scintillation proximity assay
50045849	4	ChEMBL_1477534 (CHEMBL3430111)	Inhibition of 6-His-tagged human recombinant PDE7A1 expressed in Sf9 cells by scintillation proximity assay
50045849	5	ChEMBL_1477531 (CHEMBL3430108)	Inhibition of 6-His-tagged human recombinant PDE4D3 expressed in Sf9 cells by scintillation proximity assay
50045849	6	ChEMBL_1477530 (CHEMBL3430107)	Inhibition of human PDE3B by scintillation proximity assay
50045849	7	ChEMBL_1477529 (CHEMBL3430106)	Inhibition of human PDE1A by scintillation proximity assay
50045849	8	ChEMBL_1477525 (CHEMBL3430102)	Inhibition of 6-His-tagged human recombinant PDE2A expressed in Sf9 cells using [3H]cGMP incubated for 40 mins by scintillation proximity assay
50045850	1	ChEMBL_1477768 (CHEMBL3428644)	Inhibition of human carbonic anhydrase 2 pre-incubated for 18 by stopped-flow CO2 hydration assay
50045850	2	ChEMBL_1477767 (CHEMBL3428643)	Inhibition of human carbonic anhydrase 2 pre-incubated for 16 by stopped-flow CO2 hydration assay
50045850	3	ChEMBL_1477766 (CHEMBL3428642)	Inhibition of human carbonic anhydrase 2 pre-incubated for 14 by stopped-flow CO2 hydration assay
50045850	4	ChEMBL_1477765 (CHEMBL3428641)	Inhibition of human carbonic anhydrase 2 pre-incubated for 12 hrs by stopped-flow CO2 hydration assay
50045850	5	ChEMBL_1477764 (CHEMBL3428640)	Inhibition of human carbonic anhydrase 2 pre-incubated for 10 hrs by stopped-flow CO2 hydration assay
50045850	6	ChEMBL_1477763 (CHEMBL3428639)	Inhibition of human carbonic anhydrase 2 pre-incubated for 8 hrs by stopped-flow CO2 hydration assay
50045850	7	ChEMBL_1477762 (CHEMBL3428638)	Inhibition of human carbonic anhydrase 2 pre-incubated for 6 hrs by stopped-flow CO2 hydration assay
50045850	8	ChEMBL_1477761 (CHEMBL3428637)	Inhibition of human carbonic anhydrase 2 pre-incubated for 4 hrs by stopped-flow CO2 hydration assay
50045850	9	ChEMBL_1477760 (CHEMBL3428636)	Inhibition of human carbonic anhydrase 2 pre-incubated for 2 hrs by stopped-flow CO2 hydration assay
50045850	10	ChEMBL_1477759 (CHEMBL3428502)	Inhibition of human carbonic anhydrase 2 pre-incubated for 1 hr by stopped-flow CO2 hydration assay
50045851	1	ChEMBL_1477778 (CHEMBL3428654)	Agonist activity at human NMUR2 expressed in CHO cells assessed as intracellular calcium flux at by Fluo-4 AM dye based fluorometric imaging method
50045851	2	ChEMBL_1477776 (CHEMBL3428652)	Agonist activity at human NMUR1 expressed in CHO cells assessed as intracellular calcium flux at by Fluo-4 AM dye based fluorometric imaging method
50045852	1	ChEMBL_1477926 (CHEMBL3429347)	Activation of Staphylococcus aureus FtsZ GTPase activity
50045852	2	ChEMBL_1477925 (CHEMBL3429346)	Inhibition of Bacillus subtilis FtsZ GTPase activity after 5 mins by enzyme-coupled inhibition assay
50017392	2	ChEMBL_330473 (CHEMBL869979)	Displacement of [3H]citalopram from SERT
50017392	3	ChEMBL_330474 (CHEMBL869980)	Displacement of [3H]nisoxetine from NET
50017392	1	ChEMBL_330475 (CHEMBL869981)	Displacement of [123I]RTI-55 from DAT
50045852	3	ChEMBL_1477924 (CHEMBL3429345)	Inhibition of Escherichia coli FtsZ GTPase activity after 5 mins by enzyme-coupled inhibition assay
50045853	1	ChEMBL_1477936 (CHEMBL3429503)	Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as substrate/cofactor preincubated for 2 hrs followed by dopamine/SAM addition after 25 mins by fluorescence polarization assay
50045853	2	ChEMBL_1477937 (CHEMBL3429504)	Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor preincubated for 2 hrs followed by dopamine/SAM addition after 25 mins by fluorescence polarization assay
50045853	3	ChEMBL_1477938 (CHEMBL3429505)	Inhibition of recombinant human soluble COMT using dopamine/SAM as substrate/cofactor preincubated for 2 hrs followed by dopamine/SAM addition after 25 mins by fluorescence polarization assay
50045854	1	ChEMBL_1477943 (CHEMBL3429510)	Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC substrate incubated for 15 mins by fluorescent AMC release assay
50045855	1	ChEMBL_1477945 (CHEMBL936418)	Agonist activity at human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 30 to 40 mins by GTPgammaS recruitment assay
50045855	2	ChEMBL_1477947 (CHEMBL936420)	Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mins by fluorescence polarization assay
50045855	3	ChEMBL_1477948 (CHEMBL3429515)	Agonist activity at human recombinant 5-HT2B receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization after 1 hr by FLIPR assay
50045856	1	ChEMBL_1477955 (CHEMBL3429522)	Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay
50017395	7	ChEMBL_330658 (CHEMBL867036)	Inhibitory activity against human DNA-polymerase-alpha
50045857	1	ChEMBL_1478085 (CHEMBL3430147)	Inhibition of human FPPS using pre-incubation of compound with enzyme
50045857	2	ChEMBL_1478084 (CHEMBL3430146)	Inhibition of human FPPS in absence of pre-incubation of compound with enzyme
50017395	1	ChEMBL_330719 (CHEMBL861912)	Inhibition of CYP2C9 isozyme
50045857	3	ChEMBL_1478080 (CHEMBL3430142)	Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assay
50045858	1	ChEMBL_1478106 (CHEMBL3430283)	Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia coli BL21 after 1 hr by qPCR analysis
50045858	2	ChEMBL_1478117 (CHEMBL3430294)	Binding affinity to human CLK2
50045858	3	ChEMBL_1478118 (CHEMBL3430295)	Binding affinity to human CSF1R
50045858	4	ChEMBL_1478119 (CHEMBL3430296)	Binding affinity to human FLT3
50045858	5	ChEMBL_1478120 (CHEMBL3430297)	Binding affinity to human KIT
50045858	6	ChEMBL_1478121 (CHEMBL3430298)	Binding affinity to human MEK5
50045858	7	ChEMBL_1478122 (CHEMBL3430299)	Binding affinity to human PDGFRalpha
50045858	8	ChEMBL_1478123 (CHEMBL3430300)	Binding affinity to human PDGFRbeta
50045858	9	ChEMBL_1478228 (CHEMBL3428180)	Inhibition of GAK (unknown origin)
50017395	2	ChEMBL_330721 (CHEMBL861915)	Effect on PXR activity
50045858	10	ChEMBL_1478229 (CHEMBL3428181)	Binding affinity to human GAK fused to T7 bacteriophage after 1 hr by qPCR analysis
50045858	11	ChEMBL_1478230 (CHEMBL3428182)	Binding affinity to human EGFR after 1 hr by qPCR analysis
50045859	1	ChEMBL_1475978 (CHEMBL3428203)	Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric analysis
50017395	8	ChEMBL_330657 (CHEMBL867035)	Inhibitory activity against virus GBV-B polymerase
50045860	1	ChEMBL_1476004 (CHEMBL3428360)	Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis
50017395	9	ChEMBL_330659 (CHEMBL867037)	Inhibitory activity against human DNA-polymerase-beta
50017396	7	ChEMBL_331454 (CHEMBL865228)	Inhibitory activity against Src
50017396	5	ChEMBL_331452 (CHEMBL865224)	Inhibitory activity against Flt3
50045860	2	ChEMBL_1476003 (CHEMBL3428359)	Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay
50017396	3	ChEMBL_331451 (CHEMBL865218)	Inhibitory activity against IGF1R
50017396	4	ChEMBL_331453 (CHEMBL865227)	Inhibitory activity against Abl
50017397	3	ChEMBL_331787 (CHEMBL864671)	Inhibitory activity against BVDV NS5b RNA polymerase
50017397	1	ChEMBL_331788 (CHEMBL864673)	Inhibitory activity against AMV Reverse transcriptase
50017398	1	ChEMBL_331630 (CHEMBL864050)	Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a
50017398	2	ChEMBL_331631 (CHEMBL862887)	Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells
50017398	3	ChEMBL_331632 (CHEMBL862888)	Displacement of [3H]MPEP from mGluR5 in rat brain membranes
50017399	1	ChEMBL_332032 (CHEMBL859597)	Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells
50017399	2	ChEMBL_332033 (CHEMBL859598)	Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells
50045860	3	ChEMBL_1476005 (CHEMBL3428361)	Inhibition of wild type fully glycosylated human recombinant CD38-catalyzed NAD hydrolysis
50045861	1	ChEMBL_1476374 (CHEMBL3430004)	Inhibition of human MAPK1
50045861	2	ChEMBL_1476373 (CHEMBL3430003)	Inhibition of human JNK1alpha1
50045861	3	ChEMBL_1476372 (CHEMBL3429895)	Inhibition of human GSK3beta
50045861	4	ChEMBL_1476371 (CHEMBL3429894)	Inhibition of human FAK
50045861	5	ChEMBL_1476370 (CHEMBL3429893)	Inhibition of human CHK1
50045861	6	ChEMBL_1476369 (CHEMBL3429892)	Inhibition of human TBK1
50045861	7	ChEMBL_1476368 (CHEMBL3429891)	Inhibition of human CDK7
50045861	8	ChEMBL_1476367 (CHEMBL3429890)	Inhibition of human CDK2
50045861	9	ChEMBL_1476366 (CHEMBL3429889)	Inhibition of human Ark5
50045861	10	ChEMBL_1476365 (CHEMBL3429888)	Inhibition of human Aurora-A
50045861	11	ChEMBL_1476364 (CHEMBL3429887)	Inhibition of human EGFR
50045861	12	ChEMBL_1476363 (CHEMBL3429886)	Inhibition of human JAK2
50045861	13	ChEMBL_1476362 (CHEMBL3429885)	Inhibition of human PDGFRalpha
50045861	14	ChEMBL_1476361 (CHEMBL3429884)	Inhibition of human Axl
50045861	15	ChEMBL_1476360 (CHEMBL3429883)	Inhibition of human IKKbeta
50045861	16	ChEMBL_1476359 (CHEMBL3429882)	Inhibition of human IKKalpha
50045861	17	ChEMBL_1476358 (CHEMBL3429881)	Inhibition of human Btk
50045861	18	ChEMBL_1476357 (CHEMBL3429880)	Inhibition of human TAK1
50045861	19	ChEMBL_1476356 (CHEMBL3429879)	Inhibition of human DDR2
50045861	20	ChEMBL_1476355 (CHEMBL3429878)	Inhibition of human TrkA
50045861	21	ChEMBL_1476354 (CHEMBL3429877)	Inhibition of human EphB2
50045861	22	ChEMBL_1476353 (CHEMBL3429876)	Inhibition of human EphA2
50045861	23	ChEMBL_1476351 (CHEMBL3429874)	Inhibition of human C-RAF
50045861	24	ChEMBL_1476350 (CHEMBL3429873)	Inhibition of human B-RAF
50045861	25	ChEMBL_1476349 (CHEMBL3429872)	Inhibition of human B-RAF V600E mutant
50045861	26	ChEMBL_1476348 (CHEMBL3429871)	Inhibition of human Blk
50045861	27	ChEMBL_1476347 (CHEMBL3429870)	Inhibition of human Fyn
50045861	28	ChEMBL_1476346 (CHEMBL3429869)	Inhibition of human Yes
50045861	29	ChEMBL_1476345 (CHEMBL3429868)	Inhibition of human Src T341M mutant
50045861	30	ChEMBL_1476339 (CHEMBL3429862)	Inhibition of human Src
50017403	1	ChEMBL_332420 (CHEMBL865201)	Inhibition of MAO-A activity
50017405	1	ChEMBL_332728 (CHEMBL859052)	Binding affinity to Bcl2 by fluorescence polarization assay
50045861	31	ChEMBL_1477086 (CHEMBL3428253)	Inhibition of Src phosphorylation in human MDA-MB-231 cells after 20 hrs by Western blot analysis
50045861	32	ChEMBL_1476921 (CHEMBL3430059)	Inhibition of human PI3Kalpha
50017405	9	ChEMBL_332735 (CHEMBL859059)	Binding affinity to Mcl1
50045861	33	ChEMBL_1476920 (CHEMBL3430058)	Inhibition of human PKCalpha
50045861	34	ChEMBL_1476919 (CHEMBL3430057)	Inhibition of human PKBbeta
50045861	35	ChEMBL_1476379 (CHEMBL3430009)	Inhibition of human PKBalpha
50045861	36	ChEMBL_1476378 (CHEMBL3430008)	Inhibition of human Pim1
50017405	3	ChEMBL_332726 (CHEMBL858941)	Inhibitory activity against Bcl-XL in presence of HSA3 from 1% human serum
50045861	37	ChEMBL_1476377 (CHEMBL3430007)	Inhibition of human PAK1
50045861	38	ChEMBL_1476376 (CHEMBL3430006)	Inhibition of human mTOR
50045861	39	ChEMBL_1476375 (CHEMBL3430005)	Inhibition of human MEK1
50045862	1	ChEMBL_1477109 (CHEMBL3428276)	Displacement of [125I]-17 from human GLP-1R expressed in CHO cell membranes incubated for 120 mins by scintillation counting based radioligand binding assay
50045862	2	ChEMBL_1477110 (CHEMBL3428277)	Agonist activity at human GLP-1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins
50017405	5	ChEMBL_332739 (CHEMBL862207)	Binding affinity for human serum albumin domain III
50045863	1	ChEMBL_1477113 (CHEMBL3428280)	Inhibition of GST-tagged recombinant full length human ITK using AcEFPIYDFLPAKKK-NH2 as substrate after 35 mins by Morrison plot analysis
50017405	11	ChEMBL_332724 (CHEMBL858939)	Inhibitory activity against Bcl-XL in presence of 1% human serum
50017409	2	ChEMBL_333344 (CHEMBL859134)	Displacement of [3H]L-783483 from human PPAR alpha by SPA assay
50017409	3	ChEMBL_333345 (CHEMBL858178)	Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay
50017409	1	ChEMBL_333346 (CHEMBL858179)	Displacement of [3H]L-783483 from human PPAR delta by SPA assay
50017418	1	ChEMBL_347650 (CHEMBL870677)	Binding affinity to factor7a/TF complex
50017419	2	ChEMBL_345624 (CHEMBL859712)	Inhibitory activity against DNA polymerase beta
50017419	4	ChEMBL_345623 (CHEMBL859711)	Inhibitory activity against DNA polymerase alpha
50045863	2	ChEMBL_1477116 (CHEMBL3428283)	Inhibition of LCK (unknown origin)
50045863	3	ChEMBL_1477114 (CHEMBL3428281)	Inhibition of ITK in TCR stimulated human Jurkat T cells assessed as reduction of PLC-gamma phosphorylation preincubated for 30 mins followed by TCR induction for 2 mins
50045864	1	ChEMBL_1477328 (CHEMBL3429294)	Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay
50045864	2	ChEMBL_1477329 (CHEMBL3429295)	Displacement of FITC-Bak-BH3 peptide from Bcl-xL (unknown origin) incubated for 1.5 hrs by FPA competition assay
50017425	1	ChEMBL_347197 (CHEMBL865637)	Inhibitory activity against FAK
50017426	9	ChEMBL_346877 (CHEMBL861541)	Binding affinity to D3 receptor by radioligand binding assay
50017426	43	ChEMBL_346841 (CHEMBL868928)	Binding affinity to 5HT2B receptor by radioligand binding assay
50017426	1	ChEMBL_346878 (CHEMBL861542)	Binding affinity to D4 receptor by radioligand binding assay
50017426	38	ChEMBL_346848 (CHEMBL861838)	Binding affinity to alpha 1A adrenergic receptor by radioligand binding assay
50017426	24	ChEMBL_346850 (CHEMBL861840)	Binding affinity to 5HT2A receptor by radioligand binding assay
50017426	25	ChEMBL_346851 (CHEMBL861354)	Binding affinity to histamine H2 receptor by radioligand binding assay
50017426	4	ChEMBL_346874 (CHEMBL861341)	Binding affinity to MDR1 by radioligand binding assay
50017426	21	ChEMBL_346880 (CHEMBL861544)	Binding affinity to histamine H4 receptor by radioligand binding assay
50017426	34	ChEMBL_346864 (CHEMBL861223)	Binding affinity to DAT by radioligand binding assay
50017426	40	ChEMBL_346865 (CHEMBL861224)	Binding affinity to 5HT6 receptor by radioligand binding assay
50017426	36	ChEMBL_346845 (CHEMBL861835)	Binding affinity to alpha 2A adrenergic receptor by radioligand binding assay
50017426	19	ChEMBL_346858 (CHEMBL861216)	Binding affinity to hERG by radioligand binding assay
50017426	47	ChEMBL_346843 (CHEMBL861833)	Binding affinity to sigma1 opioid receptor by radioligand binding assay
50017426	22	ChEMBL_346856 (CHEMBL861214)	Binding affinity to adenosine A3 receptor by radioligand binding assay
50017426	32	ChEMBL_346886 (CHEMBL864988)	Binding affinity to SERT by radioligand binding assay
50017426	13	ChEMBL_346854 (CHEMBL861212)	Binding affinity to adenosine A1 receptor by radioligand binding assay
50017426	2	ChEMBL_346879 (CHEMBL861543)	Binding affinity to histamine H3 receptor by radioligand binding assay
50017426	45	ChEMBL_346844 (CHEMBL861834)	Binding affinity to 5HT1B receptor by radioligand binding assay
50017426	42	ChEMBL_346868 (CHEMBL861227)	Binding affinity to NET by radioligand binding assay
50045864	3	ChEMBL_1477330 (CHEMBL3429296)	Displacement of FITC-Bak-BH3 peptide from Bcl-2 (unknown origin) incubated for 1.5 hrs by FPA competition assay
50017426	20	ChEMBL_346857 (CHEMBL861215)	Binding affinity to adenosine A4 receptor by radioligand binding assay
50017426	16	ChEMBL_346852 (CHEMBL861210)	Binding affinity to D2 dopamine receptor by radioligand binding assay
50017426	15	ChEMBL_346853 (CHEMBL861211)	Binding affinity to D5 dopamine receptor by radioligand binding assay
50017426	39	ChEMBL_346847 (CHEMBL861837)	Binding affinity to alpha 1B adrenergic receptor by radioligand binding assay
50017426	37	ChEMBL_346866 (CHEMBL861225)	Binding affinity to 5HT5A receptor by radioligand binding assay
50017426	41	ChEMBL_346842 (CHEMBL868929)	Binding affinity to alpha 2C adrenergic receptor by radioligand binding assay
50017426	7	ChEMBL_346876 (CHEMBL861540)	Binding affinity to 5HT1E receptor by radioligand binding assay
50017426	31	ChEMBL_346873 (CHEMBL861340)	Binding affinity to KOR by radioligand binding assay
50017426	14	ChEMBL_346884 (CHEMBL861548)	Binding affinity to NT by radioligand binding assay
50017426	33	ChEMBL_346846 (CHEMBL861836)	Binding affinity to 5HT7 receptor by radioligand binding assay
50017426	23	ChEMBL_346888 (CHEMBL867818)	Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells
50017426	48	ChEMBL_346849 (CHEMBL861839)	Binding affinity to histamine H1 receptor by radioligand binding assay
50017429	1	ChEMBL_347289 (CHEMBL865660)	Inhibition of factor7a in Sprague-Dawley rats
50017430	3	ChEMBL_348053 (CHEMBL868469)	Antagonist activity against MC4R by cAMP functional assay
50017430	1	ChEMBL_348051 (CHEMBL868466)	Binding affinity to MC4R by membrane filtration assay
50017430	2	ChEMBL_348052 (CHEMBL868467)	Binding affinity to hERG
50017432	2	ChEMBL_347360 (CHEMBL865649)	Inhibition of MHC2 invariant chain
50017432	1	ChEMBL_347359 (CHEMBL865648)	Inhibition of cathepsin S
50045864	4	ChEMBL_1477334 (CHEMBL3429300)	Binding affinity to GST-tagged Mcl-1 (unknown origin) incubated for 60 mins by TR-FRET-binding affinity assay
50045865	1	ChEMBL_1477335 (CHEMBL3429301)	Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 mins followed by capsaicin challenge
50045865	2	ChEMBL_1477353 (CHEMBL3429319)	Displacement of [3H]-RTX from human TRPV1 transfected in HEK293 cells after 60 mins by scintillation spectroscopic analysis
50045865	3	ChEMBL_1477354 (CHEMBL3429456)	Antagonist activity at recombinant rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 mins followed by capsaicin challenge
50045865	4	ChEMBL_1477571 (CHEMBL3430256)	Inhibition of CYP3A4 in human liver microsomes
50045865	5	ChEMBL_1477572 (CHEMBL3430257)	Inhibition of CYP1A2 in human liver microsomes
50045865	6	ChEMBL_1477573 (CHEMBL3430258)	Inhibition of CYP2D6 in human liver microsomes
50045865	7	ChEMBL_1477355 (CHEMBL3429457)	Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced current measured for 150 secs by patch clamp assay
50045865	8	ChEMBL_1477356 (CHEMBL3429458)	Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5-induced current measured for 150 secs by patch clamp assay
50045866	1	ChEMBL_1477580 (CHEMBL3430265)	Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 120 mins by Hoechst 33342 accumulation assay
50045866	2	ChEMBL_1477586 (CHEMBL3430271)	Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM assay
50045867	1	ChEMBL_1477827 (CHEMBL3428962)	Inhibition of human recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay
50045867	2	ChEMBL_1477826 (CHEMBL3428830)	Inhibition of human recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay
50017435	1	ChEMBL_347009 (CHEMBL864995)	Inhibition of PTP1B
50017437	2	ChEMBL_347111 (CHEMBL866859)	Inhibition of VEGFR2
50017437	1	ChEMBL_347120 (CHEMBL865023)	Inhibition of CDK1/CyclinB1
50017438	7	ChEBML_347235	Inhibition of C1S
50017438	3	ChEBML_347238	Inhibition of F10a
50017438	5	ChEBML_347240	Inhibition of plasmin
50017438	2	ChEBML_347237	Inhibition of tPA
50017438	6	ChEBML_347236	Inhibition of uPA
50017438	1	ChEBML_347239	Inhibition of thrombin
50045867	3	ChEMBL_1477828 (CHEMBL3428963)	Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay
50045867	4	ChEMBL_1477829 (CHEMBL3428964)	Inhibition of human recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay
50045868	1	ChEMBL_1477992 (CHEMBL3429700)	Inhibition of PI4K2alpha (unknown origin) assessed as hydrolysis of ATP for 60 mins by ADP-Glo kinase assay
50017442	1	ChEMBL_349192 (CHEMBL866276)	Inhibition of PI3 kinase p110alpha/p85-alpha complex
50045869	1	ChEMBL_1478012 (CHEMBL3429820)	Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometric assay in presence of [32P]ATP and 200 uM ATP
50045869	2	ChEMBL_1478011 (CHEMBL3429819)	Inhibition of human N-terminal GST-tagged ROCK2 expressed in baculovirus-infected insect cells using long S6 kinase peptide as substrate by radiometric assay in presence of [32P]ATP
50017446	1	ChEMBL_351708 (CHEMBL870097)	Inhibition of human 5-LO
50017446	2	ChEMBL_351710 (CHEMBL870099)	Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human whole blood
50017447	1	ChEMBL_349357 (CHEMBL865062)	Binding affinity to human adenosine A3 receptor
50017447	2	ChEMBL_349361 (CHEMBL865067)	Inhibition of isoproterenol-induced increase of cAMP in HEK293 cell expressing human adenosine A3 receptor
50017451	1	ChEMBL_346682 (CHEMBL861823)	Inhibition of ACE in bovine kidney
50017456	1	ChEMBL_349021 (CHEMBL865064)	Inhibitory activity against PKG
50017458	1	ChEMBL_347035 (CHEMBL866856)	Inhibition of Plasmodium falciparum ENR enzymatic activity
50017459	5	ChEMBL_350097 (CHEMBL865078)	Inhibition of TACE
50017459	2	ChEMBL_350092 (CHEMBL865073)	Inhibition of MMP7
50017459	3	ChEMBL_350090 (CHEMBL865071)	Inhibition of MMP1
50017459	4	ChEMBL_350095 (CHEMBL865076)	Inhibition of MMP13
50017459	1	ChEMBL_350091 (CHEMBL865072)	Inhibition of MMP2
50017459	8	ChEMBL_350094 (CHEMBL865075)	Inhibition of MMP10
50017460	1	ChEMBL_333245 (CHEMBL858977)	Inhibitory activity against AdoHcy Hydrolase
50017462	1	ChEMBL_333384 (CHEMBL859128)	Binding affinity to human bradykinin B1 receptor expressed in CHO cells
50017462	2	ChEMBL_333385 (CHEMBL859129)	Binding affinity to bradykinin B2 receptor
50017463	4	ChEMBL_333414 (CHEMBL853068)	Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha-1 receptor plus beta3gamma2 expressed in L(tk-) cells
50017463	2	ChEMBL_333416 (CHEMBL853070)	Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50017463	1	ChEMBL_333417 (CHEMBL853071)	Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha-5 receptor plus beta3gamma2 expressed in L(tk-) cells
50017463	3	ChEMBL_333415 (CHEMBL853069)	Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha3 receptor plus beta-3-gamma-2 expressed in L(tk-) cells
50017465	2	ChEMBL_333603 (CHEMBL865274)	Inhibition of human VEGFR2
50017466	2	ChEMBL_332878 (CHEMBL866381)	Binding affinity for Mycobacterium tuberculosis DHQase 2
50017466	3	ChEMBL_332876 (CHEMBL858936)	Binding affinity for Helicobacter pylori DHQase 2
50017466	1	ChEMBL_332877 (CHEMBL859230)	Binding affinity for Streptomyces coelicolor DHQase 2
50017468	2	ChEMBL_332706 (CHEMBL858933)	Inhibition of transactivation of human VDR in COS7 cells
50017468	1	ChEMBL_332707 (CHEMBL859065)	Antagonistic activity against human VDR in presence of 1,25(OH)2D3
50045869	3	ChEMBL_1478010 (CHEMBL3429818)	Inhibition of human N-terminal GST-tagged ROCK1 expressed in insect cells using long S6 kinase peptide as substrate by radiometric assay in presence of [32P]ATP
50017470	1	ChEMBL_332672 (CHEMBL858930)	Inhibition of 12-hLO
50017470	2	ChEMBL_332671 (CHEMBL858929)	Inhibition of 15-hLO
50017472	1	ChEMBL_332886 (CHEMBL866387)	Binding affinity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by voltage-clamp electrophysiology
50045870	1	ChEMBL_1478162 (CHEMBL3427923)	Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assay
50045870	2	ChEMBL_1478161 (CHEMBL3427922)	Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay
50017474	1	ChEMBL_334394 (CHEMBL864308)	Inhibition of CYP450 aromatase activity in SK-BR-3 cells
50045870	3	ChEMBL_1478163 (CHEMBL3427924)	Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay
50045870	4	ChEMBL_1478164 (CHEMBL3427925)	Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assay
50045870	5	ChEMBL_1478177 (CHEMBL3428036)	Displacement of FITC-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay
50045870	6	ChEMBL_1478277 (CHEMBL3428517)	Binding affinity to canine full-length His-tagged GRP94 (28 to 754 residues lacking 287 to 327 residues) expressed in Escherichia coli by tryptophan fluorescence assay
50045870	7	ChEMBL_1478279 (CHEMBL3428519)	Binding affinity to porcine pancreas rough microsomal GRP94 after 1 hr
50045871	1	ChEMBL_1478283 (CHEMBL3428523)	Positive allosteric modulation of human mu opioid receptor-1 expressed in CHO cells assessed as potentiation of endomorphin 1-induced response after 90 mins by beta-arrestin recruitment assay
50045871	2	ChEMBL_1478282 (CHEMBL3428522)	Positive allosteric modulation of human delta opioid receptor-1 expressed in CHO cells assessed as potentiation of leu-enkephalin-induced response after 90 mins by beta-arrestin recruitment assay
50045871	3	ChEMBL_1478286 (CHEMBL3428526)	Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as leu-enkephalin Ki at 10 uM after 90 mins by [3H]-diprenorphine displacement assay (Rvb = 221 nM)
50045871	4	ChEMBL_1478287 (CHEMBL3428527)	Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as SNC80 Ki at 10 uM after 90 mins by [3H]-diprenorphine displacement assay (Rvb = 71 nM)
50045871	5	ChEMBL_1478288 (CHEMBL3428528)	Positive allosteric modulation of human delta opioid receptor expressed in CHO cell membranes assessed as TAN67 Ki at 10 uM after 90 mins by [3H]-diprenorphine displacement assay (Rvb = 10 nM)
50045872	1	ChEMBL_1478444 (CHEMBL3429382)	Inhibition of recombinant HDAC11 (unknown origin) by homogeneous fluorescence release assay
50045872	2	ChEMBL_1478443 (CHEMBL3429381)	Inhibition of recombinant HDAC10 (unknown origin) by homogeneous fluorescence release assay
50045872	3	ChEMBL_1478442 (CHEMBL3429380)	Inhibition of recombinant HDAC9 (unknown origin) by homogeneous fluorescence release assay
50045872	4	ChEMBL_1478441 (CHEMBL3429379)	Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay
50045872	5	ChEMBL_1478440 (CHEMBL3429378)	Inhibition of recombinant HDAC7 (unknown origin) by homogeneous fluorescence release assay
50045872	6	ChEMBL_1478439 (CHEMBL3429377)	Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay
50045872	7	ChEMBL_1478438 (CHEMBL3429376)	Inhibition of recombinant HDAC5 (unknown origin) by homogeneous fluorescence release assay
50045872	8	ChEMBL_1478437 (CHEMBL3429375)	Inhibition of recombinant HDAC4 (unknown origin) by homogeneous fluorescence release assay
50045872	9	ChEMBL_1478436 (CHEMBL3429374)	Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay
50045872	10	ChEMBL_1478435 (CHEMBL3429373)	Inhibition of recombinant HDAC2 (unknown origin) by homogeneous fluorescence release assay
50045872	11	ChEMBL_1478434 (CHEMBL3429372)	Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay
50045872	12	ChEMBL_1478480 (CHEMBL3429562)	Inhibition of SIRT1 (unknown origin)
50045872	13	ChEMBL_1478481 (CHEMBL3429563)	Inhibition of SIRT2 (unknown origin)
50045873	1	ChEMBL_1476046 (CHEMBL3428542)	Inhibition of full length human recombinant HDAC1 expressed in baculovirus using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30 mins by fluorescence assay
50045873	2	ChEMBL_1476047 (CHEMBL3428543)	Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30 mins by fluorescence assay
50045873	3	ChEMBL_1476048 (CHEMBL3428544)	Inhibition of full length human recombinant HDAC3 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Ac)-AMC as substrate after 30 mins by fluorescence assay
50045873	4	ChEMBL_1476049 (CHEMBL3428545)	Inhibition of human recombinant HDAC4 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 30 mins by fluorescence assay
50045873	5	ChEMBL_1476050 (CHEMBL3428546)	Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 30 mins by fluorescence assay
50045873	6	ChEMBL_1476051 (CHEMBL3428547)	Inhibition of full length human recombinant HDAC8 expressed in baculovirus infected insect S9 cells using Ac-Leu-GlyLys(Tfa)-AMC as substrate after 30 mins by fluorescence assay
50045873	7	ChEMBL_1476052 (CHEMBL3428548)	Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect S9 cells after 30 mins by fluorescence assay
50045874	1	ChEMBL_1476203 (CHEMBL3429253)	Competitive inhibition of His6-tagged UBLCP1 (unknown origin) expressed in Escherichia coli BL21 cells by Lineweaver-Burk plot analysis in presence of pNPP
50045874	2	ChEMBL_1476183 (CHEMBL3429233)	Inhibition of SCP1 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	3	ChEMBL_1476076 (CHEMBL3428706)	Inhibition of PP5 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	4	ChEMBL_1476075 (CHEMBL3428705)	Inhibition of PTPgamma (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	5	ChEMBL_1476074 (CHEMBL3428704)	Inhibition of PTPepsilon (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	6	ChEMBL_1476073 (CHEMBL3428703)	Inhibition of HePTP (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	7	ChEMBL_1476072 (CHEMBL3428702)	Inhibition of SHP2 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	8	ChEMBL_1476071 (CHEMBL3428701)	Inhibition of SHP1 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	9	ChEMBL_1476070 (CHEMBL3428700)	Inhibition of VHZ (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	10	ChEMBL_1476069 (CHEMBL3428699)	Inhibition of MKP5 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	11	ChEMBL_1476068 (CHEMBL3428698)	Inhibition of VHR (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	12	ChEMBL_1476067 (CHEMBL3428697)	Inhibition of Laforin (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50017476	2	ChEMBL_334895 (CHEMBL861270)	Effect on blockade of mouse Kv1.3 channel expressed in L929 cells
50017476	5	ChEMBL_334900 (CHEMBL861278)	Effect on blockade of Kv1.5 channel
50017476	4	ChEMBL_334897 (CHEMBL861275)	Effect on blockade of Kv1.1 channel
50017476	1	ChEMBL_334899 (CHEMBL861277)	Effect on blockade of Kv1.4 channel
50017476	6	ChEMBL_334898 (CHEMBL861276)	Effect on blockade of Kv1.2 channel
50017476	3	ChEMBL_334901 (CHEMBL861279)	Effect on blockade of Kv11.1 channel
50045874	13	ChEMBL_1476066 (CHEMBL3428562)	Inhibition of TC-PTP (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	14	ChEMBL_1476065 (CHEMBL3428561)	Inhibition of STEP (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	15	ChEMBL_1476064 (CHEMBL3428560)	Inhibition of PTP1B (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	16	ChEMBL_1476063 (CHEMBL3428559)	Inhibition of LMWPTP (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	17	ChEMBL_1476062 (CHEMBL3428558)	Inhibition of LAR (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	18	ChEMBL_1476061 (CHEMBL3428557)	Inhibition of PEZ (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	19	ChEMBL_1476060 (CHEMBL3428556)	Inhibition of PTPH1 (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	20	ChEMBL_1476059 (CHEMBL3428555)	Inhibition of CDC14A (unknown origin) using pNPP as substrate at pH 7 at 25 degC by spectrophotometric analysis
50045874	21	ChEMBL_1476058 (CHEMBL3428554)	Inhibition of His6-tagged UBLCP1 (unknown origin) expressed in Escherichia coli BL21 cells using pNPP as substrate at pH 6 at 25 degC by spectrophotometric analysis
50045875	1	ChEMBL_1476209 (CHEMBL3429395)	Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins followed by UV irradiation with 365 nm for 45 mins in presence of 1 mM DTT by pNPP assay
50045875	2	ChEMBL_1476208 (CHEMBL3429394)	Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins in absence of UV irradiation with 365 nm for 45 mins and in presence of 1 mM DTT by pNPP assay
50045875	3	ChEMBL_1476207 (CHEMBL3429393)	Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins followed by UV irradiation with 365 nm for 45 mins by pNPP assay
50045875	4	ChEMBL_1476206 (CHEMBL3429392)	Inhibition of PTP1B catalytic domain (1 to 321 amino acids) (unknown origin) expressed in Escherichia coli Rosetta (DE3) incubated for 30 mins in absence of UV irradiation with 365 nm for 45 mins by pNPP assay
50045876	1	ChEMBL_1476221 (CHEMBL3429407)	Inhibition of recombinant EphB2 (unknown origin) by cell-free assay
50045876	2	ChEMBL_1476220 (CHEMBL3429406)	Inhibition of recombinant PDGFRalpha (unknown origin) by cell-free assay
50045876	3	ChEMBL_1476219 (CHEMBL3429405)	Inhibition of recombinant VEGFR3 (unknown origin) by cell-free assay
50045876	4	ChEMBL_1476218 (CHEMBL3429404)	Inhibition of recombinant VEGFR2 (unknown origin) by cell-free assay
50045876	5	ChEMBL_1476217 (CHEMBL3429403)	Inhibition of recombinant VEGFR1 (unknown origin) by cell-free assay
50045877	1	ChEMBL_1476233 (CHEMBL3429419)	Inhibition of human topoisomerase 1-mediated DNA cleavage assessed as accumulation of nicked DNA by ethidium bromide staining based electrophoregram
50045878	1	ChEMBL_1476399 (CHEMBL3430029)	Inhibition of recombinant VHR (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	2	ChEMBL_1476409 (CHEMBL3430039)	Inhibition of recombinant MKP3 (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	3	ChEMBL_1476408 (CHEMBL3430038)	Inhibition of recombinant PTP1B (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	4	ChEMBL_1476407 (CHEMBL3430037)	Inhibition of recombinant STEP (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	5	ChEMBL_1476406 (CHEMBL3430036)	Inhibition of recombinant LAR (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	6	ChEMBL_1476405 (CHEMBL3430035)	Inhibition of recombinant CD45 (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	7	ChEMBL_1476404 (CHEMBL3430034)	Inhibition of recombinant TCPTP (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	8	ChEMBL_1476403 (CHEMBL3430033)	Inhibition of recombinant LYP (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	9	ChEMBL_1476402 (CHEMBL3430032)	Inhibition of recombinant HePTP (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	10	ChEMBL_1476401 (CHEMBL3430031)	Inhibition of recombinant VHX (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	11	ChEMBL_1476400 (CHEMBL3430030)	Inhibition of recombinant PTP-SL (unknown origin) using OMFP as substrate after 1 hr by fluorescence assay
50045878	12	ChEMBL_1476398 (CHEMBL3430028)	Inhibition of human recombinant GST-tagged SHP2 (205 to 593) expressed in Escherichia coli DH5-alpha using DiFMUP as substrate after 30 mins by fluorescence assay
50045878	13	ChEMBL_1476397 (CHEMBL3430027)	Inhibition of SHP2 catalytic domain (262 to 528) (unknown origin) expressed in Escherichia coli BL21 (DE3) using pNPP as substrate by spectrophotometric analysis
50045878	14	ChEMBL_1476396 (CHEMBL3430026)	Inhibition of human recombinant SHP2 PTP domain (225 to 541) using pNPP as substrate
50045878	15	ChEMBL_1476395 (CHEMBL3430025)	Inhibition of recombinant human PTP1B assessed as hydrolysis of DiFMUP preincubated for 10 mins followed by DiFMUP addition measured after 5 mins by fluorescence assay
50045878	16	ChEMBL_1476394 (CHEMBL3430024)	Competitive inhibition of PTP1B (unknown origin)
50045878	17	ChEMBL_1476393 (CHEMBL3430023)	Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 40 mins
50045878	18	ChEMBL_1476392 (CHEMBL3430022)	Inhibition of full length PTP1B (unknown origin) after 30 mins by ELISA
50045878	19	ChEMBL_1476391 (CHEMBL3430021)	Inhibition of recombinant human PTP1B (1 to 299) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate
50045879	1	ChEMBL_1476504 (CHEMBL3427963)	Inhibition of CXCR2 (unknown origin) expressed in PathHunter celline by beta-arrestin assay
50045879	2	ChEMBL_1476503 (CHEMBL3427962)	Inhibition of CXCR2 (unknown origin) transfected with RBL cells
50045879	3	ChEMBL_1476502 (CHEMBL3427961)	Inhibition of CXCR1 (unknown origin) transfected with RBL cells
50045880	1	ChEMBL_1476517 (CHEMBL3428068)	Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin-labeled dUTP incorporation into DNA using polyr(A) x oligo(dT)16 template/primer hybrid
50045881	1	ChEMBL_1476523 (CHEMBL3428074)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of 45 degC heat-induced activation by FLIPR assay
50045881	2	ChEMBL_1476522 (CHEMBL3428073)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of pH-induced activation by FLIPR assay
50045881	3	ChEMBL_1476521 (CHEMBL3428072)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay
50045881	4	ChEMBL_1476524 (CHEMBL3428075)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced activation by FLIPR assay
50045882	1	ChEMBL_1476529 (CHEMBL3428080)	Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis
50045882	2	ChEMBL_1476528 (CHEMBL3428079)	Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis
50045882	3	ChEMBL_1476527 (CHEMBL3428078)	Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis
50017483	1	ChEMBL_351340 (CHEMBL870044)	Inhibition of HSP90 ATPase activity
50017483	2	ChEMBL_351339 (CHEMBL870734)	Inhibition of HSP90 by FP assay
50045883	1	ChEMBL_1476599 (CHEMBL3428418)	Modulation of human histamine H3 receptor expressed in HEK293 cells assessed as change in forskolin-stimulated cAMP level after 1 hr by HTRF assay
50045884	1	ChEMBL_1476600 (CHEMBL3428419)	Inhibition of BACE1 in human H4 cells stably transfected with APP751 containing Swedish mutation assessed as reduction in Abeta (1 to 40) and Abeta (1 to 42) production incubated for 19 hrs
50017490	1	ChEMBL_344324 (CHEMBL867768)	Inhibition of Agrobacterium sp. beta-glucosidase
50017490	2	ChEMBL_344325 (CHEMBL867772)	Inhibition of jack beans alpha-mannosidase
50017490	3	ChEMBL_344326 (CHEMBL869584)	Inhibition of Agrobacterium sp. beta-galactosidase
50017490	6	ChEMBL_344329 (CHEMBL868411)	Inhibition of human liver alpha-L-fucosidase
50017490	5	ChEMBL_344328 (CHEMBL868410)	Inhibition of Thermoanaerobacterium saccharolyticum beta-xylosidase
50017490	4	ChEMBL_344327 (CHEMBL868409)	Inhibition of Streptomyces plicatus beta-D-hexosaminidase
50017492	1	ChEMBL_348518 (CHEMBL865700)	Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR
50017493	1	ChEMBL_350435 (CHEMBL861556)	Inhibition of Itk
50045885	1	ChEMBL_1476607 (CHEMBL3428563)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50045885	2	ChEMBL_1476608 (CHEMBL3428564)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50017496	1	ChEMBL_351034 (CHEMBL866259)	Inhibition of IMPDH2
50045885	3	ChEMBL_1476609 (CHEMBL3428565)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50017498	1	ChEMBL_350362 (CHEMBL861550)	Inhibition of EGFR
50017498	2	ChEMBL_350363 (CHEMBL861551)	Inhibition of ErbB2
50017499	1	ChEMBL_351089 (CHEMBL866272)	Inhibition of IMPDH2
50017500	2	ChEMBL_349386 (CHEMBL863863)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain
50017500	1	ChEMBL_349385 (CHEMBL863860)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain
50017500	3	ChEMBL_349388 (CHEMBL865695)	Activity against delta opioid receptor by stimulation of [35S]GTP-gamma-S binding in CHO-hgamma cells
50017500	4	ChEMBL_349389 (CHEMBL865710)	Activity against mu opioid receptor by stimulation of [35S]GTP-gamma-S binding in CHO-hgamma cells
50017501	1	ChEMBL_350918 (CHEMBL869020)	Binding affinity to F9a
50045886	1	ChEMBL_1476626 (CHEMBL3428582)	Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method
50045887	1	ChEMBL_1476715 (CHEMBL3429066)	Inhibition of mouse SR-BI isoform 1 expressed in CHO cells assessed as reduction in uptake of [3H]CE from [3H]CE-HDL by by liquid scintillation counting method
50045887	2	ChEMBL_1476710 (CHEMBL3429061)	Inhibition of mouse SR-BI isoform 1 expressed in CHO cells assessed as reduction in transfer of fluorescent lipid DiI from human HDL particles into cells by fluorescence assay
50045887	3	ChEMBL_1476716 (CHEMBL3429067)	Inhibition of mouse SR-BI isoform 1 expressed in CHO cells assessed as increase in binding of Alexa-488-labeled HDL particles to cells
50045888	1	ChEMBL_1476724 (CHEMBL3429075)	Agonist activity at rat mGluR4 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	2	ChEMBL_1476726 (CHEMBL3429077)	Agonist activity at rat mGluR6 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	3	ChEMBL_1476727 (CHEMBL3429078)	Agonist activity at rat mGluR7 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	4	ChEMBL_1476728 (CHEMBL3429079)	Agonist activity at rat mGluR8 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	5	ChEMBL_1476723 (CHEMBL3429074)	Agonist activity at rat mGluR2 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	6	ChEMBL_1476729 (CHEMBL3429080)	Agonist activity at rat mGluR1 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045888	7	ChEMBL_1476730 (CHEMBL3429081)	Agonist activity at rat mGluR5 expressed in HEK293 cells assessed as induction of inositol phosphate production by HTRF assay
50045889	1	ChEMBL_1476845 (CHEMBL3429768)	Inhibition of His-tagged human recombinant SIRT2 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay
50045889	2	ChEMBL_1476843 (CHEMBL3429766)	Inhibition of His-tagged human recombinant SIRT1 expressed in Escherichia coli using Cbz-Lys(Ac)-AMC as substrate by fluorescence assay
50045889	3	ChEMBL_1476847 (CHEMBL3429770)	Inhibition of HDAC1 (unknown origin)
50045889	4	ChEMBL_1476848 (CHEMBL3429771)	Inhibition of HDAC2 (unknown origin)
50045889	5	ChEMBL_1476849 (CHEMBL3429772)	Inhibition of HDAC6 (unknown origin)
50045889	6	ChEMBL_1476850 (CHEMBL3429773)	Inhibition of HDAC8 (unknown origin)
50045890	1	ChEMBL_1476958 (CHEMBL3430213)	Binding affinity to ATAD2 (unknown origin) by protein-observe NMR spectroscopy
50045890	2	ChEMBL_1476957 (CHEMBL3430212)	Binding affinity to RAD51 (unknown origin) by isothermal calorimetry
50045890	3	ChEMBL_1476956 (CHEMBL3430211)	Binding affinity to KRas (unknown origin)
50017510	4	ChEMBL_350783 (CHEMBL869681)	Inhibition of human recombinant CYP2C8
50017510	1	ChEMBL_350782 (CHEMBL869680)	Inhibition of human recombinant CYP2B6
50017510	2	ChEMBL_350781 (CHEMBL869679)	Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells
50017510	3	ChEMBL_350784 (CHEMBL869682)	Inhibition of human recombinant CYP2C9
50017510	5	ChEMBL_350785 (CHEMBL869683)	Inhibition of human recombinant CYP3A4
50017512	2	ChEMBL_350559 (CHEMBL870148)	Displacement of [125I]TARC from CCR4 expressed in human CEM cell line
50017512	1	ChEMBL_350560 (CHEMBL868993)	Displacement of [125I]MDC from CCR4 expressed in human CEM cell line
50017513	1	ChEMBL_355138 (CHEMBL853191)	Displacement of [3H]WIN-35 from DAT
50045890	4	ChEMBL_1476955 (CHEMBL3430210)	Inhibition of KRas (unknown origin) by nucleotide release assay
50024864	1	ChEMBL_527767 (CHEMBL978703)	Agonist activity at human ERalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay relative to 17beta estradiol
50024864	2	ChEMBL_527768 (CHEMBL978704)	Antagonist activity at human ERalpha expressed in african green monkey CV1 cells assessed as inhibition of estrogen like activity after 24 hrs by luciferase reporter gene assay
50017514	1	ChEMBL_355175 (CHEMBL853195)	Inhibition of [125I]glucagon binding to glucagon receptor
50017515	4	ChEMBL_354697 (CHEMBL870679)	Inhibition of CYP450 2C9
50017515	7	ChEMBL_354703 (CHEMBL853123)	Inhibition of CYP450 2C19
50017515	1	ChEMBL_354693 (CHEMBL870036)	Displacement of [3H]PGE2 from human EP1 receptor expressed in CHO-K1 cells
50017515	6	ChEMBL_354704 (CHEMBL853124)	Inhibition of CYP450 2D6
50045891	1	ChEMBL_1478667 (CHEMBL3430568)	Inhibition of Na channel (species unknown)
50017515	3	ChEMBL_354702 (CHEMBL853122)	Inhibition of CYP450 1A2
50017515	5	ChEMBL_354698 (CHEMBL870680)	Inhibition of CYP450 3A4
50017515	2	ChEMBL_354694 (CHEMBL870037)	Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR
50045891	2	ChEMBL_1478668 (CHEMBL3430569)	Inhibition of Na channel (species unknown)
50045891	3	ChEMBL_1478669 (CHEMBL3430570)	Inhibition of Na channel (species unknown)
50045891	4	ChEMBL_1478670 (CHEMBL3430571)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	5	ChEMBL_1478671 (CHEMBL3430572)	Inhibition of Na channel (species unknown)
50045891	6	ChEMBL_1478672 (CHEMBL3430573)	Inhibition of Na channel (species unknown)
50045891	7	ChEMBL_1478673 (CHEMBL3430574)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	8	ChEMBL_1478674 (CHEMBL3430575)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	9	ChEMBL_1478675 (CHEMBL3430576)	Inhibition of Na channel (species unknown)
50045891	10	ChEMBL_1478676 (CHEMBL3430577)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	11	ChEMBL_1478677 (CHEMBL3430578)	Inhibition of Na channel (species unknown)
50045891	12	ChEMBL_1478678 (CHEMBL3430579)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	13	ChEMBL_1478679 (CHEMBL3430580)	Inhibition of Na channel (species unknown)
50045891	14	ChEMBL_1478680 (CHEMBL3430581)	Inhibition of Na channel (species unknown)
50045891	15	ChEMBL_1478681 (CHEMBL3430582)	Inhibition of Na channel (species unknown)
50045891	16	ChEMBL_1478682 (CHEMBL3430583)	Inhibition of Na channel (species unknown)
50045891	17	ChEMBL_1478683 (CHEMBL3430584)	Inhibition of Na channel (species unknown)
50045891	18	ChEMBL_1478684 (CHEMBL3430585)	Inhibition of Na channel (species unknown)
50045891	19	ChEMBL_1478685 (CHEMBL3430586)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	20	ChEMBL_1478686 (CHEMBL3430587)	Inhibition of Na channel (species unknown)
50045891	21	ChEMBL_1478687 (CHEMBL3430588)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	22	ChEMBL_1478688 (CHEMBL3430589)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	23	ChEMBL_1478689 (CHEMBL3430590)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	24	ChEMBL_1478690 (CHEMBL3430591)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	25	ChEMBL_1478691 (CHEMBL3430592)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	26	ChEMBL_1478692 (CHEMBL3430593)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	27	ChEMBL_1478693 (CHEMBL3430594)	Inhibition of Na channel (species unknown)
50045891	28	ChEMBL_1478694 (CHEMBL3430595)	Inhibition of Na channel (species unknown)
50045891	29	ChEMBL_1478695 (CHEMBL3430596)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	30	ChEMBL_1478696 (CHEMBL3430597)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50017518	1	ChEMBL_354582 (CHEMBL865109)	Activation of glucokinase
50017519	2	ChEMBL_355280 (CHEMBL853201)	Inhibition of CYP3A4
50017519	5	ChEMBL_355282 (CHEMBL853203)	Inhibition of CYP1A2
50017519	1	ChEMBL_355279 (CHEMBL853200)	Inhibition of CYP26 expressed in human T47D cell line
50017519	3	ChEMBL_355284 (CHEMBL853205)	Inhibition of CYP2C9
50017519	4	ChEMBL_355283 (CHEMBL853204)	Inhibition of CYP2D6
50017520	1	ChEMBL_349790 (CHEMBL866283)	Inhibition of sPLA2-2A in HEK293 cell
50017521	1	ChEMBL_354630 (CHEMBL865094)	Inhibition of alpha glucosidase
50017524	1	ChEMBL_354992 (CHEMBL870123)	Inhibition of Escherichia coli MTAN
50045891	31	ChEMBL_1478697 (CHEMBL3430598)	Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA
50045891	32	ChEMBL_1478698 (CHEMBL3430599)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	33	ChEMBL_1478699 (CHEMBL3430600)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	34	ChEMBL_1478700 (CHEMBL3430601)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	35	ChEMBL_1478701 (CHEMBL3430602)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	36	ChEMBL_1478702 (CHEMBL3430603)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	37	ChEMBL_1478703 (CHEMBL3430604)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	38	ChEMBL_1478704 (CHEMBL3430605)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	39	ChEMBL_1478705 (CHEMBL3430606)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	40	ChEMBL_1478706 (CHEMBL3430607)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50017528	1	ChEMBL_336152 (CHEMBL863697)	Inhibition of Trypanosoma brucei class1 Aldolase
50045891	41	ChEMBL_1478707 (CHEMBL3430608)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	42	ChEMBL_1478708 (CHEMBL3430609)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	43	ChEMBL_1478709 (CHEMBL3430610)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	44	ChEMBL_1478710 (CHEMBL3430611)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	45	ChEMBL_1478711 (CHEMBL3430612)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	46	ChEMBL_1478712 (CHEMBL3430613)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	47	ChEMBL_1478713 (CHEMBL3430614)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	48	ChEMBL_1478714 (CHEMBL3430615)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50017532	1	ChEMBL_336476 (CHEMBL859660)	Inhibition of MCD
50017534	1	ChEMBL_336777 (CHEMBL864338)	Inhibitory activity against Src in cell free assay
50045891	49	ChEMBL_1478715 (CHEMBL3430616)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	50	ChEMBL_1478716 (CHEMBL3430617)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	51	ChEMBL_1478717 (CHEMBL3430618)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	52	ChEMBL_1478718 (CHEMBL3430619)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	53	ChEMBL_1478719 (CHEMBL3430620)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	54	ChEMBL_1478720 (CHEMBL3430621)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	55	ChEMBL_1478721 (CHEMBL3430622)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	56	ChEMBL_1478722 (CHEMBL3430623)	Inhibition of voltage-gated L-type Ca channel (species unknown)
50045891	57	ChEMBL_1478723 (CHEMBL3430624)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	58	ChEMBL_1478724 (CHEMBL3430625)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	59	ChEMBL_1478725 (CHEMBL3430626)	Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes
50045891	60	ChEMBL_1478726 (CHEMBL3430627)	Inhibition of hERG K channel
50045891	61	ChEMBL_1478727 (CHEMBL3430628)	Inhibition of potassium current (Ikr) measured using whole-cell patch clamp experiments in HEK-293 cells stable transfected with hERG cDNA
50045891	62	ChEMBL_1478728 (CHEMBL3430629)	Inhibition of hERG K channel
50045891	63	ChEMBL_1478729 (CHEMBL3430630)	Inhibition of hERG K channel
50045891	64	ChEMBL_1478730 (CHEMBL3430631)	Inhibition of hERG K channel
50045891	65	ChEMBL_1478731 (CHEMBL3430632)	Inhibition of hERG K channel
50045891	66	ChEMBL_1478732 (CHEMBL3430633)	Inhibition of hERG K channel
50045891	67	ChEMBL_1478733 (CHEMBL3430634)	Inhibition of hERG K channel
50045891	68	ChEMBL_1478734 (CHEMBL3430635)	Inhibition of hERG K channel
50045891	69	ChEMBL_1478735 (CHEMBL3430636)	Inhibition of hERG K channel
50045891	70	ChEMBL_1478736 (CHEMBL3430637)	Inhibition of hERG K channel
50045891	71	ChEMBL_1478737 (CHEMBL3430638)	Inhibition of hERG K channel
50045891	72	ChEMBL_1478738 (CHEMBL3430639)	Inhibition of hERG K channel
50045891	73	ChEMBL_1478739 (CHEMBL3430640)	Inhibition of hERG K channel
50045891	74	ChEMBL_1478740 (CHEMBL3430641)	Inhibition of hERG K channel
50045891	75	ChEMBL_1478741 (CHEMBL3430642)	Inhibition of hERG K channel
50045891	76	ChEMBL_1478742 (CHEMBL3430643)	Inhibition of hERG K channel
50045891	77	ChEMBL_1478743 (CHEMBL3430644)	Inhibition of hERG K channel
50045891	78	ChEMBL_1478744 (CHEMBL3430645)	Inhibition of hERG K channel
50045891	79	ChEMBL_1478745 (CHEMBL3430646)	Inhibition of hERG K channel
50045891	80	ChEMBL_1478746 (CHEMBL3430647)	Inhibition of potassium current (Ikr) measured using whole-cell patch clamp experiments in HEK-293 cells stable transfected with hERG cDNA
50045891	81	ChEMBL_1478747 (CHEMBL3430648)	Inhibition of hERG K channel
50045891	82	ChEMBL_1478748 (CHEMBL3430649)	Inhibition of hERG K channel
50045891	83	ChEMBL_1478749 (CHEMBL3430650)	Inhibition of hERG K channel
50045891	84	ChEMBL_1478750 (CHEMBL3430651)	Inhibition of hERG K channel
50045891	85	ChEMBL_1478751 (CHEMBL3430652)	Inhibition of hERG K channel
50045891	86	ChEMBL_1478752 (CHEMBL3430653)	Inhibition of hERG K channel
50045891	87	ChEMBL_1478753 (CHEMBL3430654)	Inhibition of hERG K channel
50045891	88	ChEMBL_1478754 (CHEMBL3430655)	Inhibition of hERG K channel
50045891	89	ChEMBL_1478755 (CHEMBL3430656)	Inhibition of hERG K channel
50045891	90	ChEMBL_1478756 (CHEMBL3430657)	Inhibition of hERG K channel
50045892	336	ChEMBL_1478622 (CHEMBL3430523)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50017536	1	ChEMBL_336709 (CHEMBL862353)	Inhibition of recombinant GRB2-SH2 domain
50045892	269	ChEMBL_1478535 (CHEMBL3430436)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50017538	4	ChEMBL_337022 (CHEMBL867617)	Inhibition of PP2B
50045892	265	ChEMBL_1478658 (CHEMBL3430559)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50017538	1	ChEMBL_337020 (CHEMBL868291)	Inhibition of PP2C alpha
50045892	348	ChEMBL_1478855 (CHEMBL3430327)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	182	ChEMBL_1478910 (CHEMBL3430382)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	173	ChEMBL_1478489 (CHEMBL3430390)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	237	ChEMBL_1478662 (CHEMBL3430563)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	239	ChEMBL_1478660 (CHEMBL3430561)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	143	ChEMBL_1478824 (CHEMBL3430725)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	123	ChEMBL_1478602 (CHEMBL3430503)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	247	ChEMBL_1478666 (CHEMBL3430567)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	161	ChEMBL_1478499 (CHEMBL3430400)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	220	ChEMBL_1478553 (CHEMBL3430454)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	200	ChEMBL_1478574 (CHEMBL3430475)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	183	ChEMBL_1478598 (CHEMBL3430499)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	257	ChEMBL_1478892 (CHEMBL3430364)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	250	ChEMBL_1478543 (CHEMBL3430444)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	307	ChEMBL_1478637 (CHEMBL3430538)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	304	ChEMBL_1478639 (CHEMBL3430540)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	290	ChEMBL_1478644 (CHEMBL3430545)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	242	ChEMBL_1478549 (CHEMBL3430450)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	339	ChEMBL_1478865 (CHEMBL3430337)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	322	ChEMBL_1478510 (CHEMBL3430411)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	195	ChEMBL_1478904 (CHEMBL3430376)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	168	ChEMBL_1478804 (CHEMBL3430705)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	165	ChEMBL_1478809 (CHEMBL3430710)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	221	ChEMBL_1478795 (CHEMBL3430696)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	337	ChEMBL_1478864 (CHEMBL3430336)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	172	ChEMBL_1478801 (CHEMBL3430702)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	142	ChEMBL_1478829 (CHEMBL3430730)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	328	ChEMBL_1478509 (CHEMBL3430410)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	218	ChEMBL_1478566 (CHEMBL3430467)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	351	ChEMBL_1478854 (CHEMBL3430326)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	296	ChEMBL_1478522 (CHEMBL3430423)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	129	ChEMBL_1478601 (CHEMBL3430502)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	124	ChEMBL_1478844 (CHEMBL3430745)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	275	ChEMBL_1478896 (CHEMBL3430368)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	281	ChEMBL_1478881 (CHEMBL3430353)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	235	ChEMBL_1478797 (CHEMBL3430698)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	248	ChEMBL_1478546 (CHEMBL3430447)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	133	ChEMBL_1478837 (CHEMBL3430738)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	313	ChEMBL_1478877 (CHEMBL3430349)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	223	ChEMBL_1478792 (CHEMBL3430693)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	291	ChEMBL_1478524 (CHEMBL3430425)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	332	ChEMBL_1478869 (CHEMBL3430341)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	150	ChEMBL_1478490 (CHEMBL3430391)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	156	ChEMBL_1478813 (CHEMBL3430714)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	147	ChEMBL_1478821 (CHEMBL3430722)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	329	ChEMBL_1478505 (CHEMBL3430406)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	191	ChEMBL_1478907 (CHEMBL3430379)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	199	ChEMBL_1478588 (CHEMBL3430489)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	120	ChEMBL_1478846 (CHEMBL3430747)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	197	ChEMBL_1478589 (CHEMBL3430490)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	330	ChEMBL_1478868 (CHEMBL3430340)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	162	ChEMBL_1478486 (CHEMBL3430387)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	222	ChEMBL_1478550 (CHEMBL3430451)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	320	ChEMBL_1478513 (CHEMBL3430414)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	297	ChEMBL_1478643 (CHEMBL3430544)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	287	ChEMBL_1478888 (CHEMBL3430360)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	309	ChEMBL_1478517 (CHEMBL3430418)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	192	ChEMBL_1478908 (CHEMBL3430380)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	272	ChEMBL_1478653 (CHEMBL3430554)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	135	ChEMBL_1478835 (CHEMBL3430736)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	311	ChEMBL_1478514 (CHEMBL3430415)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	259	ChEMBL_1478538 (CHEMBL3430439)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	178	ChEMBL_1478592 (CHEMBL3430493)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	288	ChEMBL_1478526 (CHEMBL3430427)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	253	ChEMBL_1478530 (CHEMBL3430431)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	202	ChEMBL_1478572 (CHEMBL3430473)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	286	ChEMBL_1478646 (CHEMBL3430547)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	245	ChEMBL_1478548 (CHEMBL3430449)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	171	ChEMBL_1478800 (CHEMBL3430701)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	169	ChEMBL_1478805 (CHEMBL3430706)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	317	ChEMBL_1478512 (CHEMBL3430413)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	163	ChEMBL_1478482 (CHEMBL3430383)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	334	ChEMBL_1478504 (CHEMBL3430405)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	262	ChEMBL_1478536 (CHEMBL3430437)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	344	ChEMBL_1478859 (CHEMBL3430331)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	324	ChEMBL_1478511 (CHEMBL3430412)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	280	ChEMBL_1478880 (CHEMBL3430352)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	188	ChEMBL_1478581 (CHEMBL3430482)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	352	ChEMBL_1478851 (CHEMBL3430323)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	276	ChEMBL_1478640 (CHEMBL3430541)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	251	ChEMBL_1478544 (CHEMBL3430445)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	321	ChEMBL_1478876 (CHEMBL3430348)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	254	ChEMBL_1478531 (CHEMBL3430432)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	285	ChEMBL_1478525 (CHEMBL3430426)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	158	ChEMBL_1478811 (CHEMBL3430712)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	211	ChEMBL_1478561 (CHEMBL3430462)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	115	ChEMBL_1478609 (CHEMBL3430510)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	292	ChEMBL_1478645 (CHEMBL3430546)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	225	ChEMBL_1478793 (CHEMBL3430694)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	258	ChEMBL_1478890 (CHEMBL3430362)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	207	ChEMBL_1478576 (CHEMBL3430477)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	132	ChEMBL_1478841 (CHEMBL3430742)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	271	ChEMBL_1478532 (CHEMBL3430433)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	212	ChEMBL_1478562 (CHEMBL3430463)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	241	ChEMBL_1478661 (CHEMBL3430562)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	278	ChEMBL_1478520 (CHEMBL3430421)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	305	ChEMBL_1478519 (CHEMBL3430420)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	279	ChEMBL_1478883 (CHEMBL3430355)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	306	ChEMBL_1478516 (CHEMBL3430417)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	282	ChEMBL_1478529 (CHEMBL3430430)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	187	ChEMBL_1478583 (CHEMBL3430484)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	119	ChEMBL_1478604 (CHEMBL3430505)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	299	ChEMBL_1478871 (CHEMBL3430343)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	315	ChEMBL_1478636 (CHEMBL3430537)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	312	ChEMBL_1478635 (CHEMBL3430536)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	350	ChEMBL_1478853 (CHEMBL3430325)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	230	ChEMBL_1478798 (CHEMBL3430699)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	236	ChEMBL_1478541 (CHEMBL3430442)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	208	ChEMBL_1478577 (CHEMBL3430478)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	155	ChEMBL_1478816 (CHEMBL3430717)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045893	97	ChEMBL_1479060 (CHEMBL3436218)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	57	ChEMBL_1479082 (CHEMBL3436058)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	131	ChEMBL_1479154 (CHEMBL3436130)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	115	ChEMBL_1479171 (CHEMBL3436147)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	56	ChEMBL_1479083 (CHEMBL3436059)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	32	ChEMBL_1479097 (CHEMBL3436073)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	143	ChEMBL_1479141 (CHEMBL3436117)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	138	ChEMBL_1479146 (CHEMBL3436122)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	104	ChEMBL_1479105 (CHEMBL3436081)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	50	ChEMBL_1479121 (CHEMBL3436097)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	125	ChEMBL_1479161 (CHEMBL3436137)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	70	ChEMBL_1479077 (CHEMBL3436053)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	68	ChEMBL_1479078 (CHEMBL3436054)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	55	ChEMBL_1479084 (CHEMBL3436060)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	28	ChEMBL_1479099 (CHEMBL3436075)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	54	ChEMBL_1479085 (CHEMBL3436061)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	86	ChEMBL_1479102 (CHEMBL3436078)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	101	ChEMBL_1479108 (CHEMBL3436084)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	35	ChEMBL_1479095 (CHEMBL3436071)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	44	ChEMBL_1479125 (CHEMBL3436101)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	85	ChEMBL_1479069 (CHEMBL3436227)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	113	ChEMBL_1479173 (CHEMBL3436149)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit
50045893	114	ChEMBL_1479172 (CHEMBL3436148)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045895	1	ChEMBL_1489768 (CHEMBL3533131)	Inhibition of CYP3A4 activity in human hepatocytes after 30 mins by liquid chromatography/tandem mass spectroscopy
50045895	2	ChEMBL_1481996 (CHEMBL3541529)	Inhibition of CYP2C9 activity in human hepatocytes after 30 mins by liquid chromatography/tandem mass spectroscopy
50045896	4	ChEMBL_1481882 (CHEMBL3540573)	Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake
50045896	3	ChEMBL_1481883 (CHEMBL3540574)	Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake
50045897	1	ChEMBL_1487181 (CHEMBL3533357)	Inhibition of GCP-2 (unknown origin)
50045898	1	ChEMBL_1481152 (CHEMBL3537682)	Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as enzyme-substrate complex by Lineweaver-Burk plot analysis
50045898	2	ChEMBL_1481151 (CHEMBL3537681)	Competitive inhibition of human liver cytosolic aldehyde oxidase using DACA as substrate assessed as free enzyme by Lineweaver-Burk plot analysis
50045898	3	ChEMBL_1481150 (CHEMBL3537680)	Uncompetitive inhibition of human liver cytosolic aldehyde oxidase using phthalazine as substrate assessed as enzyme-substrate complex by Lineweaver-Burk plot analysis
50045899	1	ChEMBL_1487340 (CHEMBL3535132)	Competitive inhibition of rat recombinant CYP1A2 expressed in Escherichia coli assessed as inhibition of PHEN O-deethylation by dixon plot analysis
50045900	1	ChEMBL_1481147 (CHEMBL3537677)	Inhibition of AADAC in human liver microsome
50045900	2	ChEMBL_1481146 (CHEMBL3537676)	Inhibition of human recombinant AADAC
50045900	3	ChEMBL_1481893 (CHEMBL3540584)	Inhibition of AADAC in human kidney microsome
50045900	4	ChEMBL_1481892 (CHEMBL3540583)	Inhibition of AADAC in human jejunum microsome
50045901	1	ChEMBL_1483433 (CHEMBL3540969)	Inhibition of human His-tagged CYP3A4 expressed in Escherichia coli TOPP3 using BFC as substrate after 15 mins by double reciprocal plot analysis in presence of NADPH and cytochrome b5
50045902	1	ChEMBL_1493681 (CHEMBL3530271)	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity by HPLC analysis
50045903	1	ChEMBL_1481943 (CHEMBL3541169)	Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis
50045904	1	ChEMBL_1492033 (CHEMBL3529525)	Inhibition of human BCRP
50045904	2	ChEMBL_1492032 (CHEMBL3529524)	Inhibition of human MRP2
50045904	3	ChEMBL_1492031 (CHEMBL3529523)	Inhibition of human MDR1
50045904	4	ChEMBL_1492023 (CHEMBL3529515)	Inhibition of human recombinant UGT1A1 expressed in supersomes assessed as scopoletin glucuronidation by fluorescence analysis
50045904	5	ChEMBL_1493641 (CHEMBL3530057)	Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	6	ChEMBL_1493640 (CHEMBL3530056)	Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	7	ChEMBL_1493639 (CHEMBL3530055)	Metabolism-dependent inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	8	ChEMBL_1493638 (CHEMBL3530054)	Metabolism-dependent inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	9	ChEMBL_1493637 (CHEMBL3529853)	Metabolism-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	10	ChEMBL_1493636 (CHEMBL3529852)	Metabolism-dependent inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	11	ChEMBL_1493635 (CHEMBL3529851)	Metabolism-dependent inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	12	ChEMBL_1493634 (CHEMBL3529850)	Metabolism-dependent inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	13	ChEMBL_1493633 (CHEMBL3529849)	Metabolism-dependent inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with NADPH prior to initiation of reaction with probe substrate by HPLC analysis
50045904	14	ChEMBL_1493573 (CHEMBL3529387)	Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	15	ChEMBL_1493572 (CHEMBL3529386)	Inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	16	ChEMBL_1493571 (CHEMBL3529385)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	17	ChEMBL_1493570 (CHEMBL3529384)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	18	ChEMBL_1492788 (CHEMBL3527759)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	19	ChEMBL_1481820 (CHEMBL3539941)	Inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	20	ChEMBL_1481819 (CHEMBL3539940)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	21	ChEMBL_1481818 (CHEMBL3539939)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50045904	22	ChEMBL_1481817 (CHEMBL3539938)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with substrate prior to initiation of reaction with NADPH by HPLC analysis
50017544	2	ChEMBL_335143 (CHEMBL867623)	Displacement of [125I]RTI-55 from SERT
50017544	6	ChEMBL_335144 (CHEMBL867624)	Displacement of [3H]nisoxetine from NET
50017544	3	ChEMBL_335148 (CHEMBL867628)	Inhibition of [3H]5-HT uptake
50017544	1	ChEMBL_335142 (CHEMBL867622)	Displacement of [125I]RTI-55 from DAT
50017544	5	ChEMBL_335149 (CHEMBL867629)	Inhibition of [3H]NE uptake
50017544	4	ChEMBL_335147 (CHEMBL867627)	Inhibition of [3H]DA uptake
50045904	23	ChEMBL_1483315 (CHEMBL3539399)	Inhibition of MDR1 (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [3H]digoxin after 90 mins by liquid scintillation counting analysis
50045904	24	ChEMBL_1484072 (CHEMBL3537107)	Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [14C]cimetidine after 90 mins by liquid scintillation counting analysis
50045904	25	ChEMBL_1484073 (CHEMBL3537108)	Inhibition of human MRP2 expressed in baculovirus-infected Sf9 cell membrane vesicle using [3H]estradiol 17beta-D-glucuronide as substrate preincubated with vesicles for 5 mins prior to substrate addition by liquid scintillation counting analysis
50045904	26	ChEMBL_1484074 (CHEMBL3537109)	Inhibition of human OATP1B1 expressed in CHO cells using [3H]estradiol 17beta-D-glucuronide as substrate by liquid scintillation counting analysis
50045904	27	ChEMBL_1484075 (CHEMBL3537110)	Inhibition of human OATP1B3 expressed in BacMam baculovirus virus infected HEK MSR2 cells using [3H]estradiol 17beta-D-glucuronide as substrate by liquid scintillation counting analysis
50045904	28	ChEMBL_1484077 (CHEMBL3537112)	Inhibition of human OCT2 expressed in MDCK2 cells using [14C]metformin as substrate by liquid scintillation counting analysis
50045905	1	ChEMBL_1491285 (CHEMBL3531728)	Inhibition of human CYP2E1 expressed in Escherichia coli MV1304 assessed as reduction in 7-EFC O-de-ethylation activity by spectrofluorometry based double reciprocal plot
50045906	1	ChEMBL_1492958 (CHEMBL3528884)	Inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis
50045906	2	ChEMBL_1492957 (CHEMBL3528883)	Inhibition of CYP3A4 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis
50045906	3	ChEMBL_1492955 (CHEMBL3528881)	Competitive reversible inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by Dixon plot analysis
50045906	4	ChEMBL_1492954 (CHEMBL3528880)	Inhibition of recombinant CYP2B6 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis
50045906	5	ChEMBL_1492953 (CHEMBL3528879)	Inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis
50045906	6	ChEMBL_1488917 (CHEMBL3535226)	Competitive inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins
50045906	7	ChEMBL_1492951 (CHEMBL3528877)	Activation of human PXR expressed in human LS174T cells
50045906	8	ChEMBL_1488021 (CHEMBL3536696)	Induction of CYP2B6 in human hepatocytes after 72 hrs relative to vehicle-treated control
50045906	9	ChEMBL_1488914 (CHEMBL3535223)	Induction of CYP3A4 in human hepatocytes after 72 hrs relative to vehicle-treated control
50045907	1	ChEMBL_1481352 (CHEMBL3540234)	Drug metabolism assessed as recombinant human UGT1A9 assessed as O-glucuronidation measured as inhibition constant at 10 to 400 uM incubated for 60 mins by LC-MS/MS analysis
50045907	2	ChEMBL_1480657 (CHEMBL3537952)	Drug metabolism assessed as recombinant human UGT2B7 assessed as O-glucuronidation measured as inhibition constant at 10 to 400 uM incubated for 60 mins by LC-MS/MS analysis
50045908	1	ChEMBL_1493837 (CHEMBL3527845)	Inhibition of human recombinant UGT1A10 after 10 mins in presence of UDPGA
50045908	2	ChEMBL_1486245 (CHEMBL3534364)	Inhibition of human recombinant UGT1A8 after 10 mins in presence of UDPGA
50045909	1	ChEMBL_1485439 (CHEMBL3538271)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrates after 5 mins by LC/MS analysis in presence of NADPH
50045909	2	ChEMBL_1489010 (CHEMBL3536359)	Inhibition of CYP3A4 (unknown origin)
50045910	1	ChEMBL_1490520 (CHEMBL3534986)	Inhibition of mGluR5 (unknown origin)
50045911	1	ChEMBL_1492241 (CHEMBL3530563)	Inhibition of Staphylococcus aureus DHFR assessed as reduction in rate of NADPH consumption
50045911	2	ChEMBL_1492239 (CHEMBL3530561)	Inhibition of Staphylococcus aureus DHFR
50045912	1	ChEMBL_1486254 (CHEMBL3534692)	Inhibition of recombinant CYP2C8 (unknown origin) treated with AMG 853
50045912	2	ChEMBL_1486255 (CHEMBL3534693)	Inhibition of recombinant CYP2J2 (unknown origin) treated with AMG 853
50045912	3	ChEMBL_1486256 (CHEMBL3534694)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	4	ChEMBL_1486257 (CHEMBL3534695)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	5	ChEMBL_1487039 (CHEMBL3531865)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6-hydroxylation after 5 to 30 mins by LC-MS/MS analysis
50045912	6	ChEMBL_1487040 (CHEMBL3531866)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	7	ChEMBL_1487041 (CHEMBL3531867)	Inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	8	ChEMBL_1487042 (CHEMBL3531868)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	9	ChEMBL_1487043 (CHEMBL3531869)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	10	ChEMBL_1487044 (CHEMBL3531870)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	11	ChEMBL_1487045 (CHEMBL3531871)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 to 30 mins by LC-MS/MS analysis
50045912	12	ChEMBL_1487046 (CHEMBL3531872)	Competitive inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6-hydroxylation after 20 mins by LC-MS/MS analysis
50045912	13	ChEMBL_1487047 (CHEMBL3532217)	Linear mixed inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6-hydroxylation after 20 mins by LC-MS/MS analysis
50045912	14	ChEMBL_1487048 (CHEMBL3532218)	Competitive inhibition of CYP2C8 in human liver microsomes assessed as rosiglitazone demethylation after 20 mins by LC-MS/MS analysis
50045912	15	ChEMBL_1487049 (CHEMBL3532219)	Linear mixed inhibition of CYP2C8 in human liver microsomes assessed as rosiglitazone demethylation after 20 mins by LC-MS/MS analysis
50045912	16	ChEMBL_1487050 (CHEMBL3532220)	Biphasic inhibition of CYP2C8 in human liver microsomes assessed as montelukast 36-hydroxylation after 20 mins by LC-MS/MS analysis
50045913	1	ChEMBL_1491376 (CHEMBL3532880)	Inhibition of glycogen phosphorylase in rat hepatocytes assessed as reduction in basal glycogenolysis
50045913	2	ChEMBL_1491377 (CHEMBL3532881)	Inhibition of glycogen phosphorylase in rat hepatocytes assessed as reduction in glucagom-induced glycogenolysis
50045914	1	ChEMBL_1494637 (CHEMBL3529887)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by beta-counting
50045914	2	ChEMBL_1494638 (CHEMBL3529888)	Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]estradiol-17beta-glucuronide uptake after 3 mins by beta-counting
50017549	1	ChEMBL_335364 (CHEMBL867621)	Displacement of [125I]echistatin from AlphaV-beta-5 integrin receptor
50017549	2	ChEMBL_335363 (CHEMBL867620)	Displacement of [125I]echistatin from AlphaV-beta-3 integrin receptor
50017550	2	ChEMBL_339080 (CHEMBL867716)	Inhibition of UGT2B17
50017550	1	ChEMBL_339079 (CHEMBL867715)	Inhibition of UGT2B7
50017550	3	ChEMBL_339083 (CHEMBL869550)	Competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation
50017550	5	ChEMBL_339081 (CHEMBL869545)	Competitive inhibition of UGT2B7-catalyzed scopoletin glucuronidation
50017550	6	ChEMBL_339082 (CHEMBL869546)	Non competitive inhibition of UGT2B7-catalyzed scopoletin glucuronidation
50017550	4	ChEMBL_339084 (CHEMBL869551)	Non competitive inhibition of UGT2B17-catalyzed scopoletin glucuronidation
50045914	3	ChEMBL_1494639 (CHEMBL3529889)	Inhibition of OATP2B1 (unknown origin) expressed in MDCK2 cells assessed as reduction of [3H]estrone-3-sulfate uptake after 3 mins by beta-counting
50045915	12	ChEMBL_1487565 (CHEMBL3531532)	Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis
50045915	9	ChEMBL_1487568 (CHEMBL3531874)	Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis
50045915	11	ChEMBL_1487564 (CHEMBL3531531)	Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis
50045915	8	ChEMBL_1487572 (CHEMBL3531878)	Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay
50045916	1	ChEMBL_1483697 (CHEMBL3538196)	Inhibition of human recombinant VEGFR-2
50045916	2	ChEMBL_1483698 (CHEMBL3538197)	Inhibition of human recombinant FGFR-1
50017553	2	ChEMBL_351278 (CHEMBL870731)	Inhibition of noradrenaline reuptake at human recombinant noradrenaline transporter
50017553	1	ChEMBL_351279 (CHEMBL870732)	Inhibition of serotonin reuptake at human recombinant serotonin transporter
50017553	6	ChEMBL_351280 (CHEMBL870733)	Inhibition of dopamine reuptake at human recombinant dopamine transporter
50045917	1	ChEMBL_1482959 (CHEMBL3540944)	Inhibition of recombinant CYP3A4 (unknown origin) expressed in baculosomes in presence of 1 mM NADPH
50017555	1	ChEMBL_350832 (CHEMBL869686)	Vasorelaxation of phenylephrine-stimulated Wistar rat aorta contraction
50017555	2	ChEMBL_350835 (CHEMBL869689)	Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction
50045918	1	ChEMBL_1493081 (CHEMBL3529803)	Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells
50017558	1	ChEMBL_354949 (CHEMBL870122)	Inhibition of mushroom tyrosinase
50045919	1	ChEMBL_1489171 (CHEMBL3531984)	Inactivation of C-terminal His4-tagged human CYP2B6 lacking 21 N-terminal residues expressed in Escherichia coli C41 (DE3) assessed as decreases in fluorescence intensity of 7-hydroxy-4-trifluoromethylcoumarin at 5 to 100 uM up to 30 mins at 37 degC
50017559	3	ChEMBL_354474 (CHEMBL853109)	Binding affinity to MMP16
50017559	7	ChEMBL_354462 (CHEMBL853097)	Binding affinity to MMP13
50017559	1	ChEMBL_354470 (CHEMBL853105)	Binding affinity to MMP7
50017559	4	ChEMBL_354473 (CHEMBL853108)	Binding affinity to MMP15
50045920	1	ChEMBL_1485964 (CHEMBL3536555)	Inhibition of recombinant VEGFR-2 (unknown origin)
50017559	10	ChEMBL_354454 (CHEMBL865120)	Inhibition of LPS-stimulated TNFalpha production in human whole blood
50017559	13	ChEMBL_354459 (CHEMBL870684)	Binding affinity to MMP1
50017559	9	ChEMBL_354453 (CHEMBL865119)	Inhibition of porcine TACE
50017559	5	ChEMBL_354460 (CHEMBL870685)	Binding affinity to MMP2
50045920	2	ChEMBL_1485965 (CHEMBL3536556)	Inhibition of recombinant FGFR-1 (unknown origin)
50045921	1	ChEMBL_1491569 (CHEMBL3535031)	Inhibition of human recombinant CYP3A5 using testosterone as substrate assessed as testosterone 6-beta-hydroxylation preincubated up to 30 mins with NADPH followed by substrate addition measured after 10 mins by LC/MS/MS analysis
50017559	8	ChEMBL_354471 (CHEMBL853106)	Binding affinity to MMP8
50045922	1	ChEMBL_1490775 (CHEMBL3532077)	Inhibition of aldehyde oxidase in human liver cytosol assessed as production of oxozoniporide
50045923	1	ChEMBL_1487589 (CHEMBL3531895)	Drug metabolism assessed as hecogenin-mediated inhibition of human recombinant UGT1A4-catalyzed anastrozole glucuronidation after 90 mins
50017559	15	ChEMBL_354469 (CHEMBL853104)	Binding affinity to MMP3
50045924	1	ChEMBL_1488416 (CHEMBL3535581)	Cellular uptake in HEK293 cells expressing OATP1B3 (unknown origin) assessed as inhibition of cyclosporin A-mediated drug transport
50045924	2	ChEMBL_1488417 (CHEMBL3535582)	Cellular uptake in HEK293 cells expressing OATP1B3 (unknown origin) assessed as inhibition of rifampicin-mediated drug transport
50045924	3	ChEMBL_1487616 (CHEMBL3532266)	Cellular uptake in HEK293 cells expressing OATP1B3 (unknown origin) assessed as inhibition of (-)-epigallocatechin gallate-mediated drug transport
50045924	4	ChEMBL_1487617 (CHEMBL3532267)	Cellular uptake in HEK293 cells expressing OATP1B3 (unknown origin) assessed as inhibition of telmisartan-mediated drug transport
50045925	1	ChEMBL_1486122 (CHEMBL3532911)	Inhibition of human CYP4F2 in human liver microsomes assessed as fingolimod metabolism
50045925	2	ChEMBL_1486121 (CHEMBL3532910)	Inhibition of human recombinant CYP4F2 assessed as fingolimod metabolism
50045926	1	ChEMBL_1488448 (CHEMBL3535931)	Inhibition of CYP3A4 in human liver microsomes using midazolam substrate by HPLC-MS/MS method
50045926	2	ChEMBL_1488449 (CHEMBL3535932)	Inhibition of CYP3A4 in human liver microsomes using nifedipine substrate by HPLC-MS/MS method
50017559	11	ChEMBL_354475 (CHEMBL853110)	Binding affinity to ADAMTS1
50045927	1	ChEMBL_1489264 (CHEMBL3533107)	Substrate inhibition of human recombinant UGT1A7 assessed as IRI-O-5-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	2	ChEMBL_1489266 (CHEMBL3533109)	Substrate inhibition of human recombinant UGT1A9 assessed as IRI-O-5-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	3	ChEMBL_1489263 (CHEMBL3533106)	Substrate inhibition of human recombinant UGT1A1 assessed as IRI-O-5-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	4	ChEMBL_1489265 (CHEMBL3533108)	Substrate inhibition of human recombinant UGT1A8 assessed as IRI-O-5-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	5	ChEMBL_1489277 (CHEMBL3533120)	Substrate inhibition of human recombinant UGT1A1 assessed as IRI-O-4'-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	6	ChEMBL_1488455 (CHEMBL3535938)	Substrate inhibition of human recombinant UGT1A8 assessed as IRI-O-4'-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045927	7	ChEMBL_1488456 (CHEMBL3535939)	Substrate inhibition of human recombinant UGT1A10 assessed as IRI-O-4'-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured after 90 mins by Eadie-Hoftsee plot analysis
50045928	1	ChEMBL_1493873 (CHEMBL3528254)	Substrate inhibition of human UGT1A1-mediated T-5224 acyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC method
50045928	2	ChEMBL_1493879 (CHEMBL3528260)	Substrate inhibition of human UGT1A3-mediated T-5224 acyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC method
50045928	3	ChEMBL_1493885 (CHEMBL3528266)	Substrate inhibition of human UGT1A1-mediated T-5224 hydroxyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC method
50045928	4	ChEMBL_1492331 (CHEMBL3527751)	Substrate inhibition of human UGT1A3-mediated T-5224 hydroxyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC method
50017560	1	ChEMBL_350622 (CHEMBL869006)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50017560	2	ChEMBL_350629 (CHEMBL870817)	Inhibition of Trypanosoma brucei rhodesiense rhodesain in presence of 31.6 uM substrate Cbz-Phe-Arg-AMC
50017561	4	ChEMBL_354051 (CHEMBL870696)	Binding affinity to recombinant MMP1
50017561	1	ChEMBL_354054 (CHEMBL870008)	Binding affinity to recombinant TACE
50017561	2	ChEMBL_354053 (CHEMBL870007)	Binding affinity to recombinant MMP13
50017561	3	ChEMBL_354052 (CHEMBL870697)	Binding affinity to recombinant MMP3
50017562	1	ChEMBL_353749 (CHEMBL866912)	Inhibition of human GST-PDE4B
50017562	5	ChEMBL_353750 (CHEMBL866913)	Inhibition of human GST-PDE4C
50017562	2	ChEMBL_353751 (CHEMBL866914)	Inhibition of human GST-PDE4D
50017562	4	ChEMBL_353741 (CHEMBL866235)	Ability to block TNFalpha release through inhibition of PDE4 in LPS-stimulated human whole blood
50017562	3	ChEMBL_353740 (CHEMBL866234)	Inhibition of human GST-PDE4A
50045928	5	ChEMBL_1492337 (CHEMBL3527918)	Substrate inhibition of human UGT1A8-mediated T-5224 hydroxyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC method
50045929	1	ChEMBL_1490912 (CHEMBL3533582)	Inhibition of OATP1B1-mediated [3H]estrone-3-sulfate uptake in human OATP1B1 expressing HEK293/PDZK1 cells by scintillation counting
50045929	2	ChEMBL_1490913 (CHEMBL3533583)	Inhibition of OATP2B1-mediated [3H]estrone-3-sulfate uptake in human OATP2B1 expressing HEK293/PDZK1 cells by scintillation counting
50045929	3	ChEMBL_1490069 (CHEMBL3536010)	Inhibition of OATP1B3-mediated [3H]estradiol 17beta-glucuronide uptake in human OATP1B3 expressing HEK293/PDZK1 cells by scintillation counting
50045929	4	ChEMBL_1490070 (CHEMBL3536011)	Inhibition of OCT1-mediated [14C]tetraethylammonium uptake in human OCT1 expressing HEK293/PDZK1 cells by scintillation counting
50045930	1	ChEMBL_1489317 (CHEMBL3533496)	Noncompetitive inhibition of MRP1-mediated E2-17betaG transport in human MRP1 expressing HEK293 cells by Dixon plot
50045930	2	ChEMBL_1486828 (CHEMBL3535467)	Noncompetitive inhibition of MRP4-mediated E2-17betaG transport in human MRP4 expressing HEK293 cells by Dixon plot
50045930	3	ChEMBL_1487651 (CHEMBL3532637)	Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay
50045931	1	ChEMBL_1486111 (CHEMBL3532547)	Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme activity preincubated for 30 mins by LC-MS/MS analysis
50045931	2	ChEMBL_1486112 (CHEMBL3532901)	Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decrease in enzyme activity preincubated for 30 mins by LC-MS/MS analysis
50045931	3	ChEMBL_1486113 (CHEMBL3532902)	Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme activity preincubated for 30 mins by LC-MS/MS analysis
50045931	4	ChEMBL_1486114 (CHEMBL3532903)	Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5 assessed as decrease in enzyme activity preincubated for 30 mins by LC-MS/MS analysis
50045931	5	ChEMBL_1487655 (CHEMBL3532641)	Reversible inhibition of human CYP1A2 phenacetin O-deethylase activity
50045931	6	ChEMBL_1487656 (CHEMBL3532642)	Reversible inhibition of human CYP2B6 bupropion hydroxylase activity
50045931	7	ChEMBL_1487657 (CHEMBL3532643)	Reversible inhibition of human CYP2C8 paclitaxel 6alpha-hydroxylase activity
50045931	8	ChEMBL_1487658 (CHEMBL3532644)	Reversible inhibition of human CYP2C9 diclofenac 4'-hydroxylase activity
50045931	9	ChEMBL_1487659 (CHEMBL3532645)	Reversible inhibition of human CYP2C19 S-mephenytoin 4'-hydroxylase activity
50045931	10	ChEMBL_1487660 (CHEMBL3532646)	Reversible inhibition of human CYP2D6 dextromethorphan O-demethylase activity
50045931	11	ChEMBL_1487664 (CHEMBL3532650)	Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5
50045931	12	ChEMBL_1487665 (CHEMBL3532651)	Reversible inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5
50045931	13	ChEMBL_1487666 (CHEMBL3532652)	Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5
50017564	1	ChEMBL_354930 (CHEMBL870121)	Inhibition of LCK
50045931	14	ChEMBL_1487667 (CHEMBL3532653)	Reversible inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5
50045931	15	ChEMBL_1487668 (CHEMBL3532654)	Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A7 harboring human P450 oxidoreductase and b5
50017564	15	ChEMBL_354925 (CHEMBL870116)	Inhibition of GSK3-beta
50017564	4	ChEMBL_354921 (CHEMBL853168)	Inhibition of SGK
50045932	1	ChEMBL_1482272 (CHEMBL3539310)	Binding affinity to CRF-binding protein (unknown origin)
50017564	10	ChEMBL_354917 (CHEMBL870109)	Inhibition of MAPK
50045932	2	ChEMBL_1482271 (CHEMBL3539309)	Antagonist activity at human CRF1 receptor
50045933	1	ChEMBL_1492461 (CHEMBL3528636)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50017564	12	ChEMBL_354924 (CHEMBL870115)	Inhibition of KDR
50017564	5	ChEMBL_354894 (CHEMBL853149)	Inhibition of EGFR in presence of 2 uM ATP
50045933	2	ChEMBL_1492462 (CHEMBL3528837)	Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50017564	13	ChEMBL_354923 (CHEMBL870114)	Inhibition of Src
50045933	3	ChEMBL_1492463 (CHEMBL3528838)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50045933	4	ChEMBL_1492464 (CHEMBL3528839)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50045933	5	ChEMBL_1492465 (CHEMBL3528840)	Inhibition of CYP2C9 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50045933	6	ChEMBL_1492466 (CHEMBL3528841)	Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 3 mins by LC-MS/MS analysis
50045933	7	ChEMBL_1492467 (CHEMBL3528842)	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 3 mins by LC-MS/MS analysis
50045933	8	ChEMBL_1492468 (CHEMBL3528843)	Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50045933	9	ChEMBL_1492469 (CHEMBL3528844)	Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 3 mins by LC-MS/MS analysis
50045933	10	ChEMBL_1492470 (CHEMBL3528845)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPH
50045933	11	ChEMBL_1492471 (CHEMBL3528846)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	12	ChEMBL_1492472 (CHEMBL3528847)	Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	13	ChEMBL_1492473 (CHEMBL3528848)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	14	ChEMBL_1492474 (CHEMBL3528849)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	15	ChEMBL_1492475 (CHEMBL3528850)	Inhibition of CYP2C9 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	16	ChEMBL_1492476 (CHEMBL3528851)	Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation preincubated for 15 mins by LC-MS/MS analysis
50045933	17	ChEMBL_1492477 (CHEMBL3528852)	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation preincubated for 15 mins by LC-MS/MS analysis
50045933	18	ChEMBL_1492478 (CHEMBL3528853)	Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045933	19	ChEMBL_1492479 (CHEMBL3528854)	Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation preincubated for 15 mins by LC-MS/MS analysis
50045933	20	ChEMBL_1492480 (CHEMBL3528855)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPH
50045934	1	ChEMBL_1491682 (CHEMBL3536515)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by LC-MS/MS analysis
50045934	2	ChEMBL_1491679 (CHEMBL3536512)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as unbound inhibitor concentration required for half maximal enzyme inactivation after 2 to 10 mins by LC-MS/MS analysis
50045934	3	ChEMBL_1492497 (CHEMBL3529080)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as unbound inhibitor concentration required for half maximal enzyme inactivation after 2 to 10 mins by LC-MS/MS analysis
50045934	4	ChEMBL_1491683 (CHEMBL3536516)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition by LC-MS/MS analysis
50045934	5	ChEMBL_1492496 (CHEMBL3529079)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analysis
50045934	6	ChEMBL_1492495 (CHEMBL3528870)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analysis
50045934	7	ChEMBL_1491684 (CHEMBL3536517)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by LC-MS/MS analysis
50045934	8	ChEMBL_1491685 (CHEMBL3536518)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition by LC-MS/MS analysis
50045934	9	ChEMBL_1491686 (CHEMBL3536519)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	10	ChEMBL_1491687 (CHEMBL3536520)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	11	ChEMBL_1491688 (CHEMBL3536521)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	12	ChEMBL_1491689 (CHEMBL3536522)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	13	ChEMBL_1488502 (CHEMBL3536344)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis
50045934	14	ChEMBL_1488503 (CHEMBL3536345)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis
50045934	15	ChEMBL_1488504 (CHEMBL3536346)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis
50045934	16	ChEMBL_1488505 (CHEMBL3536347)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis
50045934	17	ChEMBL_1488506 (CHEMBL3536348)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	18	ChEMBL_1488507 (CHEMBL3536349)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	19	ChEMBL_1488508 (CHEMBL3536718)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 90 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis in presence of NADPH
50045934	20	ChEMBL_1488509 (CHEMBL3536719)	Time dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 90 mins followed by 10-fold dilution and substrate addition by LC-MS/MS analysis in presence of NADPH
50045935	1	ChEMBL_1487741 (CHEMBL3533735)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrate
50045935	2	ChEMBL_1487740 (CHEMBL3533391)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrate
50045935	3	ChEMBL_1487742 (CHEMBL3533736)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estrone-3-sulfate substrate
50045935	4	ChEMBL_1487744 (CHEMBL3533738)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as protein-mediated pitavastatin uptake
50045936	1	ChEMBL_1490921 (CHEMBL3533591)	Drug metabolism assessed as human recombinant UGT1A1-mediated formation of scutellarein-6,7-diglucuronide after 25 mins by HPLC/UV analysis
50045936	2	ChEMBL_1491709 (CHEMBL3536901)	Drug metabolism assessed as human recombinant UGT1A10-mediated formation of scutellarein-6,7-diglucuronide after 25 mins by HPLC/UV analysis
50045936	3	ChEMBL_1491711 (CHEMBL3536903)	Inhibition of human MRP2-mediated estradiol-17beta-D-glucuronide formation using inside-out membrane vesicles by LC-MS/MS analysis
50045936	4	ChEMBL_1491712 (CHEMBL3536904)	Inhibition of human BCRP-mediated methotrexate transport using inside-out membrane vesicles by LC-MS/MS analysis
50045936	5	ChEMBL_1488528 (CHEMBL3531157)	Drug uptake assessed as OATP2B1 (unknown origin)-mediated drug transport expressed in HEK293 cells after 7 mins by LC-MS/MS analysis
50045936	6	ChEMBL_1488531 (CHEMBL3531160)	Drug uptake assessed as OATP2B1 (unknown origin)-mediated drug transport expressed in HEK293 cells by LC-MS/MS analysis
50045936	7	ChEMBL_1491697 (CHEMBL3536530)	Drug metabolism assessed as human recombinant UGT1A1-mediated formation of scutellarein-7-O-glucuronide after 25 mins by HPLC/UV analysis
50045937	1	ChEMBL_1486920 (CHEMBL3536605)	Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E-sul substrate uptake by liquid scintillation counting
50045937	2	ChEMBL_1486921 (CHEMBL3536606)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction of [3H]E217betaG substrate uptake by liquid scintillation counting
50045937	3	ChEMBL_1491730 (CHEMBL3536922)	Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillation counting
50045937	4	ChEMBL_1491731 (CHEMBL3536923)	Inhibition of OCT1 (unknown origin) expressed in HEK293 cells assessed as reduction of [ethyl 1-14C]TEA substrate uptake at 100 uM by liquid scintillation counting
50045937	5	ChEMBL_1491733 (CHEMBL3536925)	Inhibition of OCT2 (unknown origin) expressed in HEK293 cells assessed as reduction of [14C]metformin substrate uptake at 100 uM by liquid scintillation counting
50045938	1	ChEMBL_1486159 (CHEMBL3533278)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 mins by LC-MS/MS analysis
50045938	2	ChEMBL_1486160 (CHEMBL3533279)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 5 mins by LC-MS/MS analysis
50045938	3	ChEMBL_1486161 (CHEMBL3533280)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 mins by LC-MS/MS analysis
50045938	4	ChEMBL_1486162 (CHEMBL3533281)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 5 mins by LC-MS/MS analysis
50045938	5	ChEMBL_1487837 (CHEMBL3534790)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 mins by LC-MS/MS analysis
50045939	1	ChEMBL_1490965 (CHEMBL3533962)	Inhibition of GSK3alpha (unknown origin)
50045939	2	ChEMBL_1490964 (CHEMBL3533961)	Inhibition of GSK3beta (unknown origin)
50045940	1	ChEMBL_1491909 (CHEMBL3528578)	Inhibition of human recombinant CES2 assessed as compound hydrolysis
50045941	1	ChEMBL_1490337 (CHEMBL3532833)	Inhibition of CYP2D6 (unknown origin) assessed as sparteine oxidation
50045941	2	ChEMBL_1490338 (CHEMBL3532834)	Inhibition of CYP2D6 (unknown origin) assessed as desipramine oxidation
50045942	1	ChEMBL_1486293 (CHEMBL3535063)	Inhibition of CYP2D6 (unknown origin)
50045943	1	ChEMBL_1486373 (CHEMBL3536201)	Inhibition of recombinant human CYP2C9 expressed in microsomes isolated from baculovirus infected insect cell after 10 mins
50045943	2	ChEMBL_1486371 (CHEMBL3536199)	Inhibition of recombinant human CYP2C8 expressed in microsomes isolated from baculovirus infected insect cell after 3 mins
50045944	1	ChEMBL_1484210 (CHEMBL3537871)	Binding affinity to human SULT1A1 expressed in Escherichia coli assessed as change in intrinsic fluorescence
50045944	2	ChEMBL_1484215 (CHEMBL3537876)	Inhibition of SULT1A1 in human MCF7 cells assessed as 17beta-estradiol sulfation
50045944	3	ChEMBL_1484214 (CHEMBL3537875)	Inhibition of human SULT1A1 expressed in Escherichia coli assessed as beta-naphthol sulfation at 100 nM by Michaelis-Menten equation analysis
50045944	4	ChEMBL_1484213 (CHEMBL3537874)	Inhibition of human SULT1A1 expressed in Escherichia coli assessed as p-nitrophenol sulfation at 100 nM by Michaelis-Menten equation analysis
50045944	5	ChEMBL_1484212 (CHEMBL3537873)	Inhibition of human SULT1A1 expressed in Escherichia coli assessed as 17beta-estradiol sulfation at 100 nM by Michaelis-Menten equation analysis
50045944	6	ChEMBL_1484211 (CHEMBL3537872)	Binding affinity to human SULT1A1 expressed in Escherichia coli assessed as change in intrinsic fluorescence in presence of 3',5'-phosphoadenosine
50045945	1	ChEMBL_1486476 (CHEMBL3531466)	Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method
50045945	2	ChEMBL_1486475 (CHEMBL3531465)	Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method
50045946	1	ChEMBL_1484139 (CHEMBL3537145)	Inhibition of human mPGES-1 by whole blood assay
50045947	1	ChEMBL_1483466 (CHEMBL3541258)	Activity at rat recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as non-saturable rate constant after 30s by dual-channel liquid scintillation counting analysis
50045947	2	ChEMBL_1483465 (CHEMBL3541001)	Activity at mouse recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as non-saturable rate constant after 30s by dual-channel liquid scintillation counting analysis
50045947	3	ChEMBL_1483464 (CHEMBL3541000)	Activity at human recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as non-saturable rate constant after 30s by dual-channel liquid scintillation counting analysis
50045947	4	ChEMBL_1488841 (CHEMBL3534499)	Inhibition of rat recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation counting analysis
50045947	5	ChEMBL_1488840 (CHEMBL3534498)	Inhibition of mouse recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation counting analysis
50045947	6	ChEMBL_1488839 (CHEMBL3534497)	Inhibition of human recombinant PEPT1 expressed in Pichia pastoris GS115 assessed as [3H]GlySar uptake after 30s by dual-channel liquid scintillation counting analysis
50045947	7	ChEMBL_1487359 (CHEMBL3535509)	Binding affinity to human OAT1
50045948	1	ChEMBL_1481837 (CHEMBL3539958)	Inhibition of recombinant human C-terminal His-tagged UGT2B7 after 15 to 60 mins by Michaelis-Menten equation analysis in presence of UDPGA
50045948	2	ChEMBL_1481836 (CHEMBL3539957)	Inhibition of recombinant human C-terminal His-tagged UGT1A10 after 15 to 60 mins by Michaelis-Menten equation analysis in presence of UDPGA
50045949	1	ChEMBL_1494243 (CHEMBL3530691)	Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 60 mins followed by 4NPA addition
50045949	2	ChEMBL_1494242 (CHEMBL3530690)	Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 30 mins followed by 4NPA addition
50045949	3	ChEMBL_1494241 (CHEMBL3530689)	Time-dependent inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP preincubated for 10 mins followed by 4NPA addition
50045949	4	ChEMBL_1494240 (CHEMBL3530688)	Inhibition of human CES2
50045949	5	ChEMBL_1494239 (CHEMBL3530687)	Inhibition of human CES1
50045949	6	ChEMBL_1494238 (CHEMBL3530686)	Reversible inhibition of human CES1 assessed as hydrolysis of 4NPA to 4NP
50045950	1	ChEMBL_1494517 (CHEMBL3528994)	Binding affinity to recombinant human CNT3 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 5 mins by scintillation counting analysis
50045950	2	ChEMBL_1494516 (CHEMBL3528993)	Binding affinity to recombinant human CNT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by scintillation counting analysis
50045950	3	ChEMBL_1494515 (CHEMBL3528992)	Binding affinity to recombinant human CNT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by scintillation counting analysis
50045950	4	ChEMBL_1494514 (CHEMBL3528991)	Binding affinity to recombinant human ENT2 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by scintillation counting analysis
50045950	5	ChEMBL_1494513 (CHEMBL3528990)	Binding affinity to recombinant human ENT1 expressed in Saccharomyces cerevisiae assessed as inhibition of [3H]-uridine transport after 15 mins by scintillation counting analysis
50045951	1	ChEMBL_1487467 (CHEMBL3536662)	Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis
50045951	2	ChEMBL_1487468 (CHEMBL3536663)	Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis
50045951	3	ChEMBL_1487469 (CHEMBL3536664)	Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis
50045951	4	ChEMBL_1487472 (CHEMBL3536667)	Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein
50045951	5	ChEMBL_1487470 (CHEMBL3536665)	Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein
50045951	6	ChEMBL_1487471 (CHEMBL3536666)	Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis in presence of 3 mg/ml plasma protein
50045951	7	ChEMBL_1487479 (CHEMBL3536674)	Inhibition of KMO (unknown origin)
50045952	1	ChEMBL_1488946 (CHEMBL3535612)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated zidovudine glucuronide formation by HPLC and LC-MS/MS method
50045952	2	ChEMBL_1488942 (CHEMBL3535608)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated zidovudine glucuronide formation by HPLC and LC-MS/MS method
50045952	3	ChEMBL_1493714 (CHEMBL3530463)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated zidovudine glucuronide formation by HPLC and LC-MS/MS method
50045952	4	ChEMBL_1493710 (CHEMBL3530459)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated zidovudine glucuronide formation by HPLC and LC-MS/MS method
50045952	5	ChEMBL_1492946 (CHEMBL3528872)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucuronide formation by HPLC and LC-MS/MS method
50045952	6	ChEMBL_1492942 (CHEMBL3528666)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7-O-glucuronide formation by HPLC and LC-MS/MS method
50045952	7	ChEMBL_1492938 (CHEMBL3528662)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucuronide formation by HPLC and LC-MS/MS method
50045952	8	ChEMBL_1481182 (CHEMBL3538041)	Uncompetitive substrate inhibition of UGT2B7 in diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7-O-glucuronide formation by HPLC and LC-MS/MS method
50045952	9	ChEMBL_1481178 (CHEMBL3538037)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucuronide formation by HPLC and LC-MS/MS method
50045952	10	ChEMBL_1481174 (CHEMBL3538033)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human kidney microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7-O-glucuronide formation by HPLC and LC-MS/MS method
50045952	11	ChEMBL_1481170 (CHEMBL3538029)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid acyl glucuronide formation by HPLC and LC-MS/MS method
50045952	12	ChEMBL_1481166 (CHEMBL3538025)	Uncompetitive substrate inhibition of UGT2B7 in non-diabetic human liver microsomes assessed as reduction in enzyme-mediated mycophenolic acid phenolic 7-O-glucuronide formation by HPLC and LC-MS/MS method
50045953	1	ChEMBL_1492831 (CHEMBL3527961)	Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay
50045953	2	ChEMBL_1492827 (CHEMBL3527957)	Inhibition of CYP3A4 activity in human liver microsomes using testosterone as a substrate by LC/MS analysis
50045953	3	ChEMBL_1492826 (CHEMBL3527956)	Inhibition of CYP3A4 activity in human liver microsomes using nifedipine as a substrate by LC/MS analysis
50045953	4	ChEMBL_1492825 (CHEMBL3527955)	Inhibition of CYP3A4 activity in human liver microsomes using midazolam as a substrate by LC/MS analysis
50045953	5	ChEMBL_1492824 (CHEMBL3527954)	Inhibition of CYP3A4 activity in human liver microsomes assessed as dibenzo fluuorescene oxidation up to 40 uM
50045954	3	ChEMBL_1495667 (CHEMBL3578655)	Inhibition of CCK-B receptor in rat cerebral cortex
50045954	4	ChEMBL_1495662 (CHEMBL3578650)	Inhibition of 2-deoxyglucose-induced GRP78 (unknown origin) expression transfected in human HT1080 cells by luciferase reporter gene assay
50045955	2	ChEMBL_1495669 (CHEMBL3578657)	Inhibition of ASCT2-mediated [3H]glutamine uptake in HEK293 cells after 15 mins by Live-cell glutamine uptake assay
50045956	4	ChEMBL_1495676 (CHEMBL3578664)	Inhibition of Nav1.7 (unknown origin) by electrophysiological assay
50045956	3	ChEMBL_1495673 (CHEMBL3578661)	Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay
50045957	3	ChEMBL_1495689 (CHEMBL3578677)	Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition
50045957	4	ChEMBL_1495690 (CHEMBL3578678)	Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate
50017567	1	ChEMBL_350591 (CHEMBL868999)	Inhibition of Eimeria tenella PKG
50017569	1	ChEMBL_364595 (CHEMBL854192)	Inhibition of F11a
50017571	3	ChEMBL_353887 (CHEMBL865034)	Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR
50017571	1	ChEMBL_353886 (CHEMBL865033)	Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells
50017571	2	ChEMBL_353888 (CHEMBL865039)	Binding affinity to hERG stably transfected in HEK293 cells
50017572	1	ChEMBL_355040 (CHEMBL870124)	Inhibition of FAK
50017574	1	ChEMBL_353838 (CHEMBL866916)	Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells
50017574	2	ChEMBL_353840 (CHEMBL864503)	Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production
50045958	2	ChEMBL_1496410 (CHEMBL3580176)	Inhibition of Kv2.1 channel in human INS1 cells assessed as inhibition of outward K+ current by electrophysiology/patch clamp technique
50045959	1	ChEMBL_1496424 (CHEMBL3580314)	Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometry
50045960	1	ChEMBL_1496586 (CHEMBL3578852)	Displacement of [3H]SCH23390 from human dopamine D1 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis
50017577	1	ChEMBL_364710 (CHEMBL866306)	Inhibition of MTP in canine liver microsomes
50017578	5	ChEMBL_350972 (CHEMBL858907)	Binding affinity to human BK1 receptor
50017578	3	ChEMBL_350974 (CHEMBL858909)	Binding affinity to human BK1 receptor D291 mutant
50017578	4	ChEMBL_350973 (CHEMBL858908)	Binding affinity to human BK1 receptor E273 mutant
50017578	2	ChEMBL_350975 (CHEMBL858910)	Binding affinity to human BK1 receptor Q295 mutant
50017578	1	ChEMBL_350976 (CHEMBL858911)	Binding affinity to human BK1 receptor N298 mutant
50017579	1	ChEMBL_364757 (CHEMBL871219)	Binding affinity to DP receptor
50017579	3	ChEMBL_364759 (CHEMBL871221)	Binding affinity to EP1 receptor
50017579	10	ChEMBL_364760 (CHEMBL854182)	Binding affinity to EP2 receptor
50017579	2	ChEMBL_364758 (CHEMBL871220)	Binding affinity to TP receptor
50017579	4	ChEMBL_364766 (CHEMBL854188)	Activity at DP receptor assessed as inhibition of PGD2-induced cAMP accumulation in platelet rich plasma
50017579	5	ChEMBL_364767 (CHEMBL854189)	Activity at TP receptor assessed as inhibition of U46619-induced platelet aggregation in platelet rich plasma
50017579	8	ChEMBL_364762 (CHEMBL854184)	Binding affinity to EP4 receptor
50017579	9	ChEMBL_364763 (CHEMBL854185)	Binding affinity to FP receptor
50017579	7	ChEMBL_364765 (CHEMBL854187)	Activity at DP receptor assessed as inhibition of PGD2-induced cAMP accumulation in platelet
50017579	11	ChEMBL_364761 (CHEMBL854183)	Binding affinity to EP3 receptor
50017579	6	ChEMBL_364764 (CHEMBL854186)	Binding affinity to IP receptor
50017580	6	ChEMBL_364828 (CHEMBL870175)	Inhibition of PPAR alpha
50017580	7	ChEMBL_364829 (CHEMBL870176)	Inhibition of PPAR delta
50045960	2	ChEMBL_1496587 (CHEMBL3578853)	Displacement of [3H]SCH23390 from human dopamine D5 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis
50017580	5	ChEMBL_364822 (CHEMBL870169)	Activity at LXR alpha as beta-lactamase transactivation in CHO cells
50045960	3	ChEMBL_1496588 (CHEMBL3578854)	Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50045960	4	ChEMBL_1496589 (CHEMBL3578855)	Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50017580	4	ChEMBL_364837 (CHEMBL870188)	Inhibition of IKr
50045960	5	ChEMBL_1496590 (CHEMBL3578856)	Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50017580	8	ChEMBL_364830 (CHEMBL870177)	Inhibition of PPAR gamma
50045960	6	ChEMBL_1496593 (CHEMBL3578859)	Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in HEK293 cells by scintillation counting analysis
50045960	7	ChEMBL_1496595 (CHEMBL3578961)	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay
50017580	2	ChEMBL_364838 (CHEMBL870189)	Inhibition of PXR
50045960	8	ChEMBL_1496597 (CHEMBL3578963)	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay
50045960	9	ChEMBL_1496599 (CHEMBL3578965)	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay
50045960	10	ChEMBL_1496601 (CHEMBL3578967)	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay
50017582	2	ChEMBL_364998 (CHEMBL867504)	Inhibition of Hsp90 by recombinant ATPase assay
50017582	1	ChEMBL_364999 (CHEMBL867505)	Inhibition of Her2 in SKBr3 cells by ELISA
50017583	1	ChEMBL_365078 (CHEMBL871238)	Inhibition of human recombinant PRL-3
50045960	11	ChEMBL_1496603 (CHEMBL3578969)	Agonist activity at ARMS2-PK2-tagged human dopamine D2S receptor expressed in HEK293 cells co-expressing (EA)-tagged beta arrestin fusion protein assessed as recruitment of beta-arrestin-2 after 5 hrs by chemiluminescence assay
50045961	1	ChEMBL_1496921 (CHEMBL3578466)	Inhibition of chymotrypsin-like activity of human erythrocyte-derived 20S proteasome using Suc-LLVY-AMC as substrate preincubated for 10 mins followed by substrate addition measured every 15 secs for 30 mins by fluorescence assay
50045962	1	ChEMBL_1496997 (CHEMBL3579631)	Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50017587	1	ChEMBL_337345 (CHEMBL867179)	Agonistic potency at rat IP3 type 1 receptor expressed in chicken DT40 cells
50017593	6	ChEMBL_338135 (CHEMBL867663)	Activity against hMC1R transfected in HEK293 cells by intracellular cAMP accumulation
50045962	2	ChEMBL_1496999 (CHEMBL3579633)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50017593	4	ChEMBL_338137 (CHEMBL867665)	Activity against hMC4R transfected in HEK293 cells by intracellular cAMP accumulation
50017593	2	ChEMBL_338138 (CHEMBL867666)	Activity against hMC5R transfected in HEK293 cells by intracellular cAMP accumulation
50045962	3	ChEMBL_1497001 (CHEMBL3579635)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50045963	1	ChEMBL_1497089 (CHEMBL3580222)	Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay
50045963	2	ChEMBL_1497088 (CHEMBL3580221)	Inhibition of p38alpha MAP kinase (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay
50045963	3	ChEMBL_1497090 (CHEMBL3580223)	Inhibition of ERK2 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay
50017600	1	ChEMBL_338784 (CHEMBL860618)	Displacement of [125I]RANTES from CCR5 expressed in CHO cells
50017605	3	ChEMBL_337507 (CHEMBL861441)	Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium assay
50017605	1	ChEMBL_337501 (CHEMBL861434)	Displacement of [3H]SCH 23390 from D1 dopamine receptor
50017605	8	ChEMBL_337502 (CHEMBL861435)	Displacement of [3H]spiperone from D2L dopamine receptor
50017605	2	ChEMBL_337509 (CHEMBL861588)	Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium assay
50017605	7	ChEMBL_337503 (CHEMBL861437)	Binding affinity to D3 dopamine receptor by radioligand binding assay
50017605	6	ChEMBL_337504 (CHEMBL861438)	Binding affinity to D5 dopamine receptor by radioligand binding assay
50017605	4	ChEMBL_337506 (CHEMBL861440)	Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium assay
50017605	5	ChEMBL_337505 (CHEMBL861439)	Binding affinity to D4 dopamine receptor by radioligand binding assay
50017607	2	ChEMBL_337603 (CHEMBL861563)	Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells
50017607	4	ChEMBL_337608 (CHEMBL866522)	Inhibition of cytochrome P450 2D6
50045964	1	ChEMBL_1497225 (CHEMBL3578751)	Inhibition of trypsin (unknown origin) using N-Bz-R-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50017607	3	ChEMBL_337602 (CHEMBL861562)	Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells
50045964	2	ChEMBL_1497229 (CHEMBL3578755)	Inhibition of plasmin (unknown origin) using H-D-VLK-pNA as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	3	ChEMBL_1497230 (CHEMBL3578756)	Inhibition of thrombin (unknown origin) using Benz-FVR-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	4	ChEMBL_1497231 (CHEMBL3578757)	Inhibition of urokinase (unknown origin) using NGK-pNA as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	5	ChEMBL_1497233 (CHEMBL3578759)	Inhibition of tissue plasminogen activator (unknown origin) using GK-pNA as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	6	ChEMBL_1497234 (CHEMBL3578760)	Inhibition of chymase (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	7	ChEMBL_1497235 (CHEMBL3578761)	Inhibition of dipeptidyl peptidase 7 (unknown origin) using H-Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	8	ChEMBL_1497236 (CHEMBL3578762)	Inhibition of neutrophil elastase (unknown origin) using MeOSuc-AAVP-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045964	9	ChEMBL_1497237 (CHEMBL3578763)	Inhibition of cathepsin A (unknown origin) using MCA-RPPGFSAFK-Dnp as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by spectrophotometric analysis
50045965	1	ChEMBL_1495477 (CHEMBL3579697)	Inhibition of recombinant C-terminal His-tagged full length human HDAC8 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC class 2a substrate after 30 mins by fluorescence assay
50045965	2	ChEMBL_1495478 (CHEMBL3579698)	Inhibition of recombinant N-terminal GST-tagged full length human HDAC6 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50045965	3	ChEMBL_1495532 (CHEMBL3580078)	Inhibition of recombinant C-terminal His-tagged full length human HDAC2 expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50045965	4	ChEMBL_1495533 (CHEMBL3580079)	Inhibition of recombinant full length human HDAC1 (1 to 482) expressed in baculovirus infected insect Sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50045966	1	ChEMBL_1495696 (CHEMBL3578684)	Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay
50017608	6	ChEMBL_365134 (CHEMBL867497)	Inhibition of thrombin
50017608	4	ChEMBL_365133 (CHEMBL867496)	Inhibition of plasmin
50017608	1	ChEMBL_365130 (CHEMBL867493)	Inhibition of human beta tryptase
50017608	3	ChEMBL_365132 (CHEMBL867495)	Inhibition of F10a
50017609	1	ChEMBL_355078 (CHEMBL870125)	Binding affinity to human CXCR2 receptor transfected in CHO cell
50045967	1	ChEMBL_1496026 (CHEMBL3578370)	Inhibition of pentamer formation of GST-tagged HPV16 major capsid protein L1 assessed as increased L1-m peak formation incubated with compound after overnight PPase-mediated digestion by size-exclusion chromatography
50045967	2	ChEMBL_1496030 (CHEMBL3578374)	Binding affinity to GST-tagged HPV16 major capsid protein L1 using CY3-labeled compound by FRET assay
50045968	1	ChEMBL_1496150 (CHEMBL3578931)	Inhibition of human full length PRMT5 expressed in Sf9 cells
50045968	2	ChEMBL_1496151 (CHEMBL3578932)	Inhibition of human full length PRMT7 expressed in Sf9 cells
50045968	3	ChEMBL_1496152 (CHEMBL3578933)	Inhibition of human full length DNMT3A expressed in Sf9 cells
50045968	4	ChEMBL_1496153 (CHEMBL3578934)	Inhibition of human full length DNMT3B expressed in Sf9 cells
50045968	5	ChEMBL_1496154 (CHEMBL3578935)	Inhibition of human full length PRMT7 expressed in Sf9 cells assessed as inhibition of H2B[23-37] methylation
50045968	6	ChEMBL_1496155 (CHEMBL3578936)	Binding affinity to human full length PRMT5-MEP50 complex by Surface plasmon resonance method
50045968	7	ChEMBL_1496156 (CHEMBL3578937)	Binding affinity to human full length PRMT7 by Surface plasmon resonance method
50045969	1	ChEMBL_1496172 (CHEMBL3578953)	Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50045969	2	ChEMBL_1496171 (CHEMBL3578952)	Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50017612	1	ChEMBL_353648 (CHEMBL866225)	Displacement of [3H]8-OH-DPAT from 5HT1A serotonergic receptor in rat cerebral cortex
50045969	3	ChEMBL_1496169 (CHEMBL3578950)	Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50017613	2	ChEMBL_365290 (CHEMBL862276)	Induction of 5HT2B receptor mediated increase in intracellular calcium concentration in CHO cells
50017613	1	ChEMBL_365291 (CHEMBL862277)	Induction of 5HT2A receptor mediated increase in intracellular calcium concentration in CHO cells
50017613	3	ChEMBL_365289 (CHEMBL862275)	Induction of 5HT2C receptor mediated increase in intracellular calcium concentration in HEK293 cells
50045969	4	ChEMBL_1496174 (CHEMBL3578955)	Inhibition of p38 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50045970	1	ChEMBL_1496201 (CHEMBL3579085)	Antagonist activity against human TRPM8 by single cell patch clamp electrophysiology
50045970	2	ChEMBL_1496190 (CHEMBL3579074)	Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubated for 20 mins before WS12 addition
50045970	3	ChEMBL_1496195 (CHEMBL3579079)	Inhibition of dofetilide binding to human ERG
50017617	2	ChEBML_355567	Inhibition of human uPA by chromogenic assay using Cbz-Val-Gly-Arg-pNA as chromogenic substrate
50017618	2	ChEMBL_355606 (CHEMBL853178)	Effect on human PPARdelta transactivation in 293T cells
50017618	1	ChEMBL_355604 (CHEMBL853174)	Effect on human PPARalpha transactivation in 293T cells
50017618	3	ChEMBL_355605 (CHEMBL853176)	Effect on human PPARgamma transactivation in 293T cells
50045971	1	ChEMBL_1496313 (CHEMBL3579762)	Inhibition of mTOR (unknown origin) using GFP-4E-BP1 as substrate after 1 hr by TR-FRET assay
50024900	1	ChEMBL_528522 (CHEMBL972983)	Inhibition of COX2
50045971	2	ChEMBL_1496312 (CHEMBL3579761)	Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay
50017623	1	ChEMBL_355986 (CHEMBL871236)	Inhibition of human PTP1B
50017624	1	ChEMBL_356039 (CHEMBL870864)	Inhibition of IRAK4
50017624	2	ChEMBL_356041 (CHEMBL870866)	Inhibition of IRAK1
50017628	1	ChEMBL_358214 (CHEMBL865122)	Inhibition of Arabidopsis recombinant CYP707A3
50045971	3	ChEMBL_1496315 (CHEMBL3579764)	Inhibition of PI3Kbeta (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay
50045971	4	ChEMBL_1496316 (CHEMBL3579765)	Inhibition of PI3Kdelta (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay
50045971	5	ChEMBL_1496317 (CHEMBL3579766)	Inhibition of PI3Kgamma (unknown origin) using PIP2/PS as substrate after 1 hr by luciferase-based luminescence assay
50045972	1	ChEMBL_1496337 (CHEMBL3579786)	Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assay
50017629	4	ChEMBL_356742 (CHEMBL861136)	Activity against capsaicin-induced intracellular calcium ion increase in CHO cells expressing rat TRPV1 assessed by patch clamp
50017630	3	ChEMBL_356788 (CHEMBL861141)	Inhibition of DNA polymerase beta
50017630	1	ChEMBL_356789 (CHEMBL861142)	Inhibition of human TdT
50017630	2	ChEMBL_356787 (CHEMBL861140)	Inhibition of DNA polymerase alpha
50045972	2	ChEMBL_1496338 (CHEMBL3579942)	Inhibition of CYP2D6 (unknown origin)
50045972	3	ChEMBL_1496339 (CHEMBL3579943)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current at holding potential of 80 mV to +20 mV by whole cell patch clamp assay
50045972	4	ChEMBL_1496342 (CHEMBL3579946)	Antagonist activity against CCR2 in whole blood (unknown origin) assessed as reduction in CD11b upregulation
50045972	5	ChEMBL_1496343 (CHEMBL3579947)	Antagonist activity against CCR5 in whole blood (unknown origin) assessed as reduction in CD11b upregulation
50045972	6	ChEMBL_1496344 (CHEMBL3579948)	Inhibition of muscarinic acetylcholine receptor M1 (unknown origin)
50045972	7	ChEMBL_1496345 (CHEMBL3579949)	Inhibition of muscarinic acetylcholine receptor M2 (unknown origin)
50045972	8	ChEMBL_1496346 (CHEMBL3579950)	Inhibition of muscarinic acetylcholine receptor M4 (unknown origin)
50045972	9	ChEMBL_1496331 (CHEMBL3579780)	Inhibition of [125I]MCP1-beta binding to CCR5 in human HT1080 cell membranes incubated for 4 to 6 hrs
50045972	10	ChEMBL_1496329 (CHEMBL3579778)	Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature
50017633	3	ChEMBL_357154 (CHEMBL853173)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells
50017633	11	ChEMBL_357167 (CHEMBL859994)	Intrinsic activity against dopamine D4 receptor assessed as [3H]thymidine uptake in CHO cells by mitogenesis assay
50017633	1	ChEMBL_357159 (CHEMBL871313)	Intrinsic activity against dopamine D2(long) receptor expressed in CHO cells by GTPgammaS assay
50017633	2	ChEMBL_357153 (CHEMBL853172)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells
50017633	8	ChEMBL_357152 (CHEMBL871243)	Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expressed in CHO cells
50017633	12	ChEMBL_357155 (CHEMBL853175)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in porcine striatal membrane
50017633	7	ChEMBL_357151 (CHEMBL871242)	Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expressed in CHO cells
50017633	9	ChEMBL_357165 (CHEMBL859992)	Intrinsic activity against dopamine D3 receptor assessed as [3H]thymidine uptake in CHO cells by mitogenesis assay
50017633	10	ChEMBL_357157 (CHEMBL871223)	Intrinsic activity against dopamine D2(long) receptor assessed as [3H]thymidine uptake in CHO cells by mitogenesis assay
50017633	14	ChEMBL_357161 (CHEMBL859988)	Intrinsic activity against dopamine D2(short) receptor assessed as [3H]thymidine uptake in CHO cells by mitogenesis assay
50017633	5	ChEMBL_357163 (CHEMBL859990)	Intrinsic activity against dopamine D2(short) receptor expressed in CHO cells by GTPgammaS assay
50017633	13	ChEMBL_357169 (CHEMBL859995)	Intrinsic activity against dopamine D4 receptor expressed in CHO cells by GTPgammaS assay
50017633	6	ChEMBL_357170 (CHEMBL859996)	Displacement of [3H]WAY-100635 from 5HT1A receptor in porcine striatal membrane
50017635	5	ChEMBL_342124 (CHEMBL859795)	Inhibitory activity against PDGFRbeta
50017635	11	ChEMBL_342115 (CHEMBL860941)	Inhibitory activity against VEGFR2
50017635	3	ChEMBL_342122 (CHEMBL859793)	Inhibitory activity against VEGFR1
50017635	9	ChEMBL_342118 (CHEMBL859789)	Inhibitory activity against CYP3A4
50017635	1	ChEMBL_342119 (CHEMBL859790)	Inhibitory activity against hERG by patch-clamp assay
50017635	7	ChEMBL_342126 (CHEMBL859797)	Inhibitory activity against LCK
50017635	2	ChEMBL_342121 (CHEMBL859792)	Inhibitory activity against Flk1
50017635	6	ChEMBL_342125 (CHEMBL859796)	Inhibitory activity against EGFR
50017635	10	ChEMBL_342128 (CHEMBL860745)	Inhibitory activity against JAK3
50017635	4	ChEMBL_342123 (CHEMBL859794)	Inhibitory activity against FGFR1
50017636	1	ChEMBL_342610 (CHEMBL861259)	Inhibition of human Pin1 PPIase Activity by protease free PPIase assay
50045972	11	ChEMBL_1496330 (CHEMBL3579779)	Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC
50017639	4	ChEMBL_341997 (CHEMBL860933)	Inhibition of PDGFR alpha phosphorylation in G292 cell
50017639	2	ChEMBL_342001 (CHEMBL860937)	Inhibition of c-kit receptor phosphorylation in M07e cell by transactivation enzyme assay
50017639	1	ChEMBL_341998 (CHEMBL860934)	Inhibition of c-kit receptor phosphorylation in M07e cell
50017639	3	ChEMBL_342000 (CHEMBL860936)	Inhibition of PDGFR alpha phosphorylation in G292 cell by transactivation enzyme assay
50045973	1	ChEMBL_1496464 (CHEMBL3578410)	Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins
50045973	2	ChEMBL_1496467 (CHEMBL3578413)	Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by scintillation counting analysis
50045973	3	ChEMBL_1496480 (CHEMBL3578426)	Inhibition of CYP1A2 (unknown origin)
50045973	4	ChEMBL_1496481 (CHEMBL3578427)	Inhibition of CYP2C9 (unknown origin)
50045973	5	ChEMBL_1496482 (CHEMBL3578428)	Inhibition of CYP2C19 (unknown origin)
50045973	6	ChEMBL_1496483 (CHEMBL3578429)	Inhibition of CYP2D6 (unknown origin)
50045973	7	ChEMBL_1496484 (CHEMBL3578430)	Inhibition of CYP3A4 (unknown origin)
50045974	1	ChEMBL_1496661 (CHEMBL3579137)	Inhibition of Aeromonas veronii metallo-beta-lactamase ImiS expressed in Escherichia coli BL21(DE3) using imipenem substrate pre-incubated for 30 mins by Lineweaver-Burk plot method
50017645	1	ChEMBL_342542 (CHEMBL861585)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cell
50017647	1	ChEMBL_342907 (CHEMBL863817)	Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation
50017647	2	ChEMBL_342906 (CHEMBL868830)	Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation
50017648	3	ChEMBL_342813 (CHEMBL868884)	Binding affinity to human recombinant CB2 receptor expressed in COS cells
50017648	2	ChEMBL_342812 (CHEMBL868883)	Binding affinity to human recombinant CB1 receptor expressed in COS cells
50045975	1	ChEMBL_1496672 (CHEMBL3579243)	Agonist activity at mouse MC5R expressed in HEK293 cells by cAMP functional bioassay
50017649	1	ChEMBL_343377 (CHEMBL860697)	Displacement of [125I]MCH from MCHr1 expressed in IMR32 (I3.4.2) cells
50017652	1	ChEMBL_357215 (CHEMBL854196)	Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue
50017654	1	ChEMBL_357921 (CHEMBL871229)	Displacement of [125I] labeled substance P from human cloned NK1 receptor expressed in CHO cells
50017654	2	ChEMBL_357922 (CHEMBL871230)	Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells
50017655	1	ChEMBL_358328 (CHEMBL868169)	Inhibition of FLT3
50045975	2	ChEMBL_1496670 (CHEMBL3579241)	Displacement of MTII from mouse MC3R expressed in HEK293 cells
50017657	2	ChEMBL_357978 (CHEMBL854207)	Inhibition of human NK2 receptor expressed in CHO cells
50017657	1	ChEMBL_357976 (CHEMBL854205)	Inhibition of human NK1 receptor expressed in U373MG cells
50017659	2	ChEMBL_358031 (CHEMBL853137)	Displacement of [33P]S1P from S1P2 expressed in CHO cells
50017659	1	ChEMBL_358032 (CHEMBL853138)	Displacement of [33P]S1P from S1P3 expressed in CHO cells
50017659	5	ChEMBL_358030 (CHEMBL866347)	Displacement of [33P]S1P from S1P1 expressed in CHO cells
50017659	4	ChEMBL_358033 (CHEMBL871182)	Displacement of [33P]S1P from S1P4 expressed in CHO cells
50017659	3	ChEMBL_358034 (CHEMBL871183)	Displacement of [33P]S1P from S1P5 expressed in CHO cells
50045975	3	ChEMBL_1496671 (CHEMBL3579242)	Displacement of MTII from mouse MC4R expressed in HEK293 cells
50017667	2	ChEMBL_374541 (CHEMBL862848)	Inhibition of VEGFR2
50017667	4	ChEMBL_374543 (CHEMBL862850)	Inhibition of PDGFRbeta
50017667	1	ChEMBL_374542 (CHEMBL862849)	Inhibition of VEGFR1
50017667	3	ChEMBL_374544 (CHEMBL862851)	Inhibition of FGFR1
50045975	4	ChEMBL_1496668 (CHEMBL3579239)	Agonist activity at mouse MC1R expressed in HEK293 cells by cAMP functional bioassay
50017670	1	ChEMBL_359898 (CHEMBL854292)	Inhibition of almond beta glucosidase
50017670	2	ChEMBL_359905 (CHEMBL854299)	Inhibition of bovine liver beta galactosidase
50017670	4	ChEMBL_359900 (CHEMBL854294)	Inhibition of green coffee alpha galactosidase
50017671	3	ChEMBL_343253 (CHEMBL861012)	Inhibition of rat spleen Lyn
50017671	9	ChEMBL_343257 (CHEMBL861018)	Inhibition of RET
50017671	10	ChEMBL_343258 (CHEMBL861019)	Inhibition of FLT3
50017671	2	ChEMBL_343254 (CHEMBL861013)	Inhibition of rat spleen SYK
50017671	6	ChEMBL_343255 (CHEMBL861014)	Inhibition of rat spleen FGR
50045976	1	ChEMBL_1496673 (CHEMBL3579244)	Inverse agonist activity at human GHSR1a receptor expressed in COS-7 cells assessed as inositol phosphate accumulation after 2 hrs by anion exchange chromatography
50017671	5	ChEMBL_343251 (CHEMBL861010)	Inhibition of human recombinant DYRK1a
50017671	4	ChEMBL_343252 (CHEMBL861011)	Inhibition of rat spleen CSK
50017671	1	ChEMBL_343250 (CHEMBL861009)	Inhibition of human recombinant GSK3-beta
50017672	1	ChEMBL_343501 (CHEMBL860701)	Inhibition of human serine racemase
50045976	2	ChEMBL_1496675 (CHEMBL3579246)	Agonist activity at human neuropeptide Y Y2 receptor expressed in COS-7 cells cotransfected with chimeric Gi/q protein assessed as inositol phosphate accumulation after 2 hrs by anion exchange chromatography
50045976	3	ChEMBL_1496677 (CHEMBL3579248)	Displacement of [125I]ghrelin from human eYFP-fused ghrelin receptor expressed in COS7 cells after 75 mins by competitive receptor binding assay
50017676	1	ChEMBL_343639 (CHEMBL860998)	Displacement of [111In]DTPA-Glu-Gly-[Tyr27(SO3H)]-CCK8 from human CCK1 receptor in A431 cells
50045976	4	ChEMBL_1496772 (CHEMBL3579806)	Displacement of [125I]PYY from human neuropeptide Y Y2 receptor expressed in HEK293 cells cotransfected with eYFP fusion protein after 2 hrs by competitive receptor binding assay
50045976	5	ChEMBL_1496785 (CHEMBL3579819)	Agonist activity at neuropeptide Y Y2 receptor in human SMS-KAN cells
50045977	1	ChEMBL_1496953 (CHEMBL3579427)	Inhibition of human HGPRT
50045978	1	ChEMBL_1497035 (CHEMBL3579845)	Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown origin) using folyl-di-L-glutamate as substrate by HPLC-based enzymatic assay
50045979	1	ChEMBL_1497041 (CHEMBL3580016)	Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analysis
50045980	1	ChEMBL_1497241 (CHEMBL3578767)	Inhibition of ROCK2 (unknown origin) using substrate FITC-AHA- AKRRRLSSLRA-OH
50045981	1	ChEMBL_1497285 (CHEMBL3578998)	Antagonist activity at human mineralocorticoid receptor overexpressed in CHOK1 cells assessed as inhibition of aldosterone-induced protein interaction with coactivator peptide after 6 hrs by luminescence assay
50017684	15	ChEMBL_341794 (CHEMBL865634)	Displacement of [3H]kainate from rat GLUK6 expressed in HEK293 cells
50017684	16	ChEMBL_341799 (CHEMBL864999)	Displacement of [3H]kainate from human GLUK7 expressed in HEK293 cell membranes
50017684	6	ChEMBL_341814 (CHEMBL865016)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUA3
50017684	13	ChEMBL_341792 (CHEMBL861532)	Antagonist activity against GLUK5-containing kainate receptor by inhibition of kainate-induced depolarization of neonatal rat dorsal root fibers
50017684	9	ChEMBL_341812 (CHEMBL865014)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUA1
50017684	4	ChEMBL_341815 (CHEMBL865017)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUA4
50017684	10	ChEMBL_341803 (CHEMBL865005)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUK5 by FLIPR assay
50017684	1	ChEMBL_341810 (CHEMBL865012)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUK6
50017684	8	ChEMBL_341813 (CHEMBL865015)	Inhibition of glutamate-induced calcium influx in HEK293 cells expressing human GLUA2
50017686	3	ChEMBL_341840 (CHEMBL865019)	Displacement of [3H]Ro-151788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2
50017686	4	ChEMBL_341841 (CHEMBL865020)	Displacement of [3H]Ro-151788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2
50017686	2	ChEMBL_341856 (CHEMBL870713)	Displacement of [3H]Ro-151788 from recombinant human GABA-Aalpha2 receptor plus beta3gamma2
50017686	1	ChEMBL_341839 (CHEMBL865018)	Displacement of [3H]Ro-151788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2
50045981	2	ChEMBL_1497288 (CHEMBL3579001)	Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced protein interaction with steroid receptor co-activator peptide after overnight incubation by beta-galactosidase reporter gene assay
50045981	3	ChEMBL_1497343 (CHEMBL3579176)	Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with steroid receptor co-activator peptide after 24 hrs by beta-galactosidase reporter gene assay
50045981	4	ChEMBL_1497344 (CHEMBL3579293)	Antagonist activity at human estrogen receptor alpha expressed in CHOK1 cells assessed as inhibition of beta-estradiol-induced protein interaction with steroid receptor co-activator peptide after overnight incubation by beta-galactosidase reporter gene assay
50017691	1	ChEMBL_344886 (CHEMBL870710)	Inhibition of recombinant Escherichia coli DXR
50017692	4	ChEBML_344947	Agonist activity at human NPY2 receptor in CHO cells by inhibition of forskolin-stimulated cAMP synthesis
50017692	2	ChEBML_344945	Agonist activity at human NPY1 receptor in CHO cells by inhibition of forskolin-stimulated cAMP synthesis
50046813	1	ChEMBL_1525064 (CHEMBL3635102)	Positive allosteric modulation of human mGluR1 by calcium mobilization assay
50017692	3	ChEBML_344944	Agonist activity at human NPY4 receptor in HEK293 cells by inhibition of forskolin-stimulated cAMP synthesis
50046813	2	ChEMBL_1525066 (CHEMBL3635104)	Positive allosteric modulation of human mGluR4 by calcium mobilization assay
50017695	1	ChEMBL_360161 (CHEMBL871260)	Antagonist activity at human histamine H3 receptor by [35S]GTP-gamma-S assay
50017696	1	ChEMBL_360610 (CHEMBL863256)	Inhibition of COX2 in human whole blood
50045981	6	ChEMBL_1497283 (CHEMBL3578996)	Antagonist activity at human progesterone receptor beta expressed in human U2OS cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with steroid receptor co-activator peptide after overnight incubation by beta-galactosidase reporter gene assay
50017697	2	ChEMBL_360714 (CHEMBL869331)	Inhibition of Trypanosoma cruzi TR
50017697	1	ChEMBL_360715 (CHEMBL869332)	Inhibition of human glutathione reductase
50017698	1	ChEMBL_358169 (CHEMBL854203)	Inhibition of gamma secretase
50045981	7	ChEMBL_1497367 (CHEMBL3579316)	Binding affinity to mineralocorticoid receptor (unknown origin)
50045982	1	ChEMBL_1497395 (CHEMBL3579466)	Displacement of [3H]MLA from rat alpha7 nAChR transfected in tsA201 cell membrane
50045983	1	ChEMBL_1497465 (CHEMBL3579862)	Inhibition of human topoisomerase 2alpha assessed as reduction in enzyme-mediated kinetoplast DNA decatenation incubated for 30 mins by agarose gel electrophoresis method
50045984	4	ChEMBL_1495498 (CHEMBL3579882)	Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate addition by spectrophotometric analysis
50045984	3	ChEMBL_1495499 (CHEMBL3579883)	Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate addition by spectrophotometric analysis
50045984	2	ChEMBL_1495504 (CHEMBL3579888)	Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry
50045985	1	ChEMBL_1496076 (CHEMBL3578555)	Binding affinity to human Zn2+-HDAC8 assessed as loss of activity by Fluor-de-Lys activity assay
50045985	2	ChEMBL_1496074 (CHEMBL3578553)	Reversible-time dependent inhibition of human wild type HDAC8 by Fluor-de-Lys activity assay
50017704	1	ChEMBL_360910 (CHEMBL870871)	Inhibition of alpha-v-beta-3 integrin by SPRA
50017704	2	ChEMBL_360912 (CHEMBL870876)	Inhibition of alpha-v-beta-5 integrin in 293 cells
50017704	4	ChEMBL_360914 (CHEMBL870878)	Inhibition of alpha-2b-beta-3 integrin by SPRA
50017704	3	ChEMBL_360911 (CHEMBL870872)	Inhibition of alpha-v-beta-3 integrin in 293 cells
50017704	5	ChEMBL_360913 (CHEMBL870879)	Inhibition of alphavbeta6 integrin in HT29 cells
50045985	3	ChEMBL_1496068 (CHEMBL3578547)	Inhibition of human recombinant HDAC6 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay
50045985	4	ChEMBL_1496067 (CHEMBL3578546)	Inhibition of human recombinant HDAC3 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay
50045985	5	ChEMBL_1496066 (CHEMBL3578545)	Inhibition of human recombinant HDAC2 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay
50045985	6	ChEMBL_1496065 (CHEMBL3578544)	Inhibition of human recombinant HDAC1 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay
50045985	7	ChEMBL_1496069 (CHEMBL3578548)	Inhibition of human recombinant HDAC8 using MAZ1675 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay
50045986	1	ChEMBL_1496232 (CHEMBL3579235)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic ring contraction at 10 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 7.89 +/- 0.08 no unit)
50045986	2	ChEMBL_1496233 (CHEMBL3579236)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic ring contraction at 15 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 7.89 +/- 0.08 no unit)
50017706	1	ChEMBL_361008 (CHEMBL862621)	Binding affinity to human cloned adrenergic alpha-1B receptor by radioligand binding assay
50045986	3	ChEMBL_1496234 (CHEMBL3579370)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic ring contraction at 8 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 7.89 +/- 0.08 no unit)
50017706	2	ChEMBL_361009 (CHEMBL862622)	Binding affinity to human cloned adrenergic alpha-2A receptor by radioligand binding assay
50045986	4	ChEMBL_1496235 (CHEMBL3579371)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic ring contraction at 11 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 7.89 +/- 0.08 no unit)
50045986	5	ChEMBL_1496236 (CHEMBL3579372)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide pEC50 for induction of aortic ring contraction at 14 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 7.89 +/- 0.08 no unit)
50045986	6	ChEMBL_1496205 (CHEMBL3579089)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 10 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50017706	9	ChEMBL_361004 (CHEMBL862617)	Binding affinity to human cloned 5HT1A receptor by radioligand binding assay
50017706	5	ChEMBL_361001 (CHEMBL868244)	Binding affinity to human cloned dopamine D2 receptor by radioligand binding assay
50017706	3	ChEMBL_361006 (CHEMBL862619)	Binding affinity to human cloned 5HT2C receptor by radioligand binding assay
50017706	12	ChEMBL_361003 (CHEMBL867065)	Binding affinity to human cloned dopamine D4.4 receptor by radioligand binding assay
50017706	10	ChEMBL_361005 (CHEMBL862618)	Binding affinity to human cloned 5HT2A receptor by radioligand binding assay
50017706	11	ChEMBL_361002 (CHEMBL868245)	Binding affinity to human cloned dopamine D3 receptor by radioligand binding assay
50017706	7	ChEMBL_361011 (CHEMBL862624)	Binding affinity to human cloned adrenergic alpha-2C receptor by radioligand binding assay
50017706	8	ChEMBL_361012 (CHEMBL862625)	Binding affinity to human cloned histamine H1 receptor by radioligand binding assay
50045986	7	ChEMBL_1496212 (CHEMBL3579096)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ring contraction at 10 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 13 nM)
50017706	4	ChEMBL_361007 (CHEMBL862620)	Binding affinity to human cloned adrenergic alpha-1A receptor by radioligand binding assay
50017708	2	ChEMBL_373310 (CHEMBL853517)	Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta-3-gamma-2 receptor expressed in L(tk-) cells
50017708	1	ChEMBL_373314 (CHEMBL853520)	Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha1 plus beta-3-gamma-2 receptor expressed in L(tk-) cells
50017710	1	ChEMBL_374030 (CHEMBL864692)	Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells
50017710	3	ChEMBL_374029 (CHEMBL864691)	Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells
50017710	5	ChEMBL_374027 (CHEMBL864689)	Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells
50017710	4	ChEMBL_374026 (CHEMBL864688)	Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
50017710	2	ChEMBL_374028 (CHEMBL864690)	Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells
50017711	1	ChEMBL_372848 (CHEMBL871130)	Displacement of GM-BODIPY from Hsp90
50017712	2	ChEMBL_374173 (CHEMBL871574)	Displacement of [125I][Tyr14]N/OFQ from ORL1 receptor transfected in CHO cells
50017712	1	ChEMBL_374175 (CHEMBL871576)	Antagonist activity against ORL1 receptor by GTPgammaS assay
50017714	2	ChEMBL_371821 (CHEMBL865552)	Inhibition of human IMPDH2
50017714	1	ChEMBL_371820 (CHEMBL865551)	Inhibition of human IMPDH1
50017718	1	ChEMBL_361575 (CHEMBL870152)	Displacement of [125I]IOXY from human mu opioid receptor
50017718	2	ChEMBL_361577 (CHEMBL870154)	Displacement of [125I]IOXY from human kappa opioid receptor
50017719	3	ChEMBL_361597 (CHEMBL859725)	Inhibition of trypsin like activity of yeast 20S proteasome
50017719	1	ChEMBL_361598 (CHEMBL859726)	Inhibition of post acid activity of yeast 20S proteasome
50017719	2	ChEMBL_361596 (CHEMBL868170)	Inhibition of chymotrypsin like activity of yeast 20S proteasome
50017719	4	ChEMBL_361603 (CHEMBL859732)	Inhibition of post acid activity of yeast 20S proteasome at 625 uM
50017721	2	ChEMBL_372934 (CHEMBL870532)	Inhibition of P450 2C19
50017721	1	ChEMBL_372909 (CHEMBL865374)	Displacement of [125I]MIP-1-alpha to human recombinant CCR5 expressed in CHO cells
50017721	3	ChEMBL_372935 (CHEMBL870533)	Inhibition of P450 2C9
50017721	7	ChEMBL_372938 (CHEMBL870536)	Inhibition of hERG
50017721	5	ChEMBL_372937 (CHEMBL870535)	Inhibition of P450 2D6
50017721	4	ChEMBL_372936 (CHEMBL870534)	Inhibition of P450 3A4
50017721	6	ChEMBL_372933 (CHEMBL870531)	Inhibition of P450 1A1
50045986	8	ChEMBL_1496215 (CHEMBL3579218)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 15 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50017725	2	ChEMBL_361713 (CHEMBL861444)	Binding affinity to human 5HT2A
50017725	3	ChEMBL_361717 (CHEMBL861449)	Binding affinity to human IKr
50017725	5	ChEMBL_361714 (CHEMBL861445)	Binding affinity to human 5HT2C
50017725	4	ChEMBL_361716 (CHEMBL861448)	Binding affinity to human D2 receptor
50017725	1	ChEMBL_361718 (CHEMBL861451)	Antagonist activity against human 5HT2A transfected in CHO cells by aurora beta lactamase reporter gene assay
50017726	4	ChEMBL_372754 (CHEMBL871098)	Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells
50017726	1	ChEMBL_372756 (CHEMBL871100)	Agonist activity at ORL1 receptor expressed in HEK293 cells by calciun flux assay
50017726	2	ChEMBL_372753 (CHEMBL871097)	Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells
50045986	9	ChEMBL_1496216 (CHEMBL3579219)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 8 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50045986	10	ChEMBL_1496217 (CHEMBL3579220)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 11 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50045986	11	ChEMBL_1496218 (CHEMBL3579221)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 14 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50045986	12	ChEMBL_1496219 (CHEMBL3579222)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 4 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50045986	13	ChEMBL_1496220 (CHEMBL3579223)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 EC50 for induction of aortic ring contraction at 1 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 1.9 nM)
50045986	14	ChEMBL_1496221 (CHEMBL3579224)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 10 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	15	ChEMBL_1496222 (CHEMBL3579225)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 15 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	16	ChEMBL_1496223 (CHEMBL3579226)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 8 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	17	ChEMBL_1496224 (CHEMBL3579227)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 11 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	18	ChEMBL_1496225 (CHEMBL3579228)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 14 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	19	ChEMBL_1496226 (CHEMBL3579229)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 4 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	20	ChEMBL_1496227 (CHEMBL3579230)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as human urotensin-2 pEC50 for induction of aortic ring contraction at 1 uM preincubated for 15 mins followed by human urotensin-2 addition (Rvb = 8.71 +/- 0.08 no unit)
50045986	21	ChEMBL_1496228 (CHEMBL3579231)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ring contraction at 15 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 13 nM)
50045986	22	ChEMBL_1496229 (CHEMBL3579232)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ring contraction at 8 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 13 nM)
50045986	23	ChEMBL_1496230 (CHEMBL3579233)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ring contraction at 11 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 13 nM)
50045986	24	ChEMBL_1496231 (CHEMBL3579234)	Modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as urotensin-2 related peptide EC50 for induction of aortic ring contraction at 14 uM preincubated for 15 mins followed by urotensin-2 related peptide addition (Rvb = 13 nM)
50045987	1	ChEMBL_1496351 (CHEMBL3579955)	Inhibition of beta-N-acetylhexosaminidase (unknown origin)
50017728	2	ChEMBL_371968 (CHEMBL852961)	Binding affinity to ERbeta by scintillation proximity assay
50017728	3	ChEMBL_371970 (CHEMBL852971)	Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene
50017728	1	ChEMBL_371967 (CHEMBL852960)	Binding affinity to ERalpha by scintillation proximity assay
50017729	1	ChEMBL_361730 (CHEMBL870168)	Inhibition of MMP13
50045987	2	ChEMBL_1496352 (CHEMBL3579956)	Inhibition of human placental HexA using pNPGlcNAc substrate
50017729	3	ChEMBL_361726 (CHEMBL870164)	Inhibition of MMP2
50017729	2	ChEMBL_361729 (CHEMBL870167)	Inhibition of MMP3
50017729	4	ChEMBL_361728 (CHEMBL870166)	Inhibition of MMP1
50045987	3	ChEMBL_1496364 (CHEMBL3579968)	Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry
50045987	4	ChEMBL_1496348 (CHEMBL3579952)	Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry
50045987	5	ChEMBL_1496363 (CHEMBL3579967)	Inhibition of HexA alpha G269S mutant in ATSD patient fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry
50045987	6	ChEMBL_1496362 (CHEMBL3579966)	Inhibition of HexA in normal human fibroblasts using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry
50045987	7	ChEMBL_1496350 (CHEMBL3579954)	Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry
50045987	8	ChEMBL_1496349 (CHEMBL3579953)	Inhibition of human placental HexA using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry
50045988	1	ChEMBL_1496401 (CHEMBL3580167)	Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins by LC-MS/MS method
50045988	2	ChEMBL_1496402 (CHEMBL3580168)	Inhibition of CYP3A4 in human liver microsomes using testosterone substrate incubated for 30 mins by LC-MS/MS method
50017731	3	ChEMBL_351820 (CHEMBL867803)	Inhibition of CYP3A4
50017731	2	ChEMBL_351818 (CHEMBL867801)	Displacement of [125I]I309 from human CCR8 expressed in L1.2 cells
50017731	4	ChEMBL_351827 (CHEMBL870781)	Displacement of [3H]dofetilide from hERG expressed in HEK293 cells
50017731	1	ChEMBL_351819 (CHEMBL867802)	Inhibition of I309-induced chemotaxis in L1.2 cells expressing CCR8
50045988	3	ChEMBL_1496403 (CHEMBL3580169)	Inhibition of human ERG expressed in CHO cells by whole cell patch clamp assay
50045988	4	ChEMBL_1496377 (CHEMBL3580143)	Inhibition of human activated TAFI incubated for 15 mins by microtiter plate reader based assay
50045988	5	ChEMBL_1496383 (CHEMBL3580149)	Inhibition of factor11a (unknown origin)
50045988	6	ChEMBL_1496382 (CHEMBL3580148)	Inhibition of factor2a (unknown origin)
50045988	7	ChEMBL_1496381 (CHEMBL3580147)	Inhibition of factor7a (unknown origin)
50045988	8	ChEMBL_1496380 (CHEMBL3580146)	Inhibition of factor10a (unknown origin)
50045988	9	ChEMBL_1496379 (CHEMBL3580145)	Inhibition of CPN (unknown origin)
50045988	10	ChEMBL_1496378 (CHEMBL3580144)	Inhibition of CPA (unknown origin)
50045988	11	ChEMBL_1496384 (CHEMBL3580150)	Inhibition of CBP (unknown origin)
50045988	12	ChEMBL_1496391 (CHEMBL3580157)	Inhibition of human activated TAFI incubated for 15 mins in presence of 1% human serum albumin by microtiter plate reader based assay
50045989	1	ChEMBL_1496719 (CHEMBL3579422)	Antagonist activity against TLR4 in mouse BV2 cells assessed as inhibition of LPS-induced nitric oxide production incubated for 24 hrs by 2,3-diaminonaphthalene dye based assay
50045990	1	ChEMBL_1496849 (CHEMBL3580203)	Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based assay
50045990	2	ChEMBL_1496848 (CHEMBL3580202)	Inhibition of Serratia marcescens chitinase ChiB
50045991	1	ChEMBL_1496877 (CHEMBL3580357)	Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity using NAD+ by chemiluminescence detection based assay
50045991	2	ChEMBL_1496977 (CHEMBL3579451)	Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity using NAD+ by chemiluminescence detection based assay
50045991	3	ChEMBL_1496978 (CHEMBL3579452)	Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity using NAD+ by chemiluminescence detection based assay
50017734	1	ChEMBL_352186 (CHEMBL869666)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC theta-C1B
50045991	4	ChEMBL_1496979 (CHEMBL3579453)	Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity using NAD+ by chemiluminescence detection based assay
50017734	8	ChEMBL_352175 (CHEMBL867850)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC beta-C1A
50017734	11	ChEMBL_352178 (CHEMBL869658)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC gamma-C1B
50017734	6	ChEMBL_352182 (CHEMBL869662)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC epsilon-C1B
50017734	9	ChEMBL_352180 (CHEMBL869660)	Displacement of [3H]phorbol 12,13-dibutyrate from PKC delta-C1B
50045992	1	ChEMBL_1499282 (CHEMBL3583164)	Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay
50045992	2	ChEMBL_1499283 (CHEMBL3583165)	Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CRE/luciferase reporter gene assay
50017736	1	ChEMBL_352521 (CHEMBL860010)	Displacement of [3H]rosiglitazone from PPARgamma by SPA
50017737	2	ChEMBL_351617 (CHEMBL870087)	Displacement of [125I]IMPY from beta amyloid in human corpse AD brain
50017737	1	ChEMBL_351636 (CHEMBL861972)	Binding affinity to beta amyloid in human corpse AD brain
50017742	1	ChEMBL_351942 (CHEMBL870788)	Inhibition of [125I]RANTES binding to human CCR5 expressed in CHO cells
50017749	1	ChEMBL_353055 (CHEMBL866263)	Displacement of [125I](E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene from beta amyloid peptide in brain tissue at 50 uL
50017749	2	ChEMBL_353056 (CHEMBL865747)	Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL
50024907	1	ChEMBL_528821 (CHEMBL977663)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells by liquid scintillation counting
50024909	2	ChEMBL_529085 (CHEMBL970212)	Activation of GAL4 fused human PPARgamma ligand binding domain transfected in african green monkey CV1 cells by CAT reporter assay
50024909	1	ChEMBL_529095 (CHEMBL971112)	Activation of PPARgamma transfected in human MCF7 cells by luciferase reporter gene assay
50024939	1	ChEMBL_524646 (CHEMBL976710)	Inhibition of aromatase in human placental microsomes by radiometric method
50045992	3	ChEMBL_1499284 (CHEMBL3583166)	Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization
50017753	1	ChEMBL_372182 (CHEMBL870441)	Inhibition of human FATP4-mediated 12-BODIPY-lauric acid uptake in HEK293 cells
50017754	1	ChEMBL_371874 (CHEMBL871585)	Inhibition of MCD
50017756	3	ChEMBL_370812 (CHEMBL867237)	Inhibition of CDK1/cyclinB in presence of 15 uM ATP
50017756	2	ChEMBL_370813 (CHEMBL867238)	Inhibition of CDK5/p25 in presence of 15 uM ATP
50045993	1	ChEMBL_1499306 (CHEMBL3583448)	Inhibition of Nav1.7 (unknown origin) by electrophysiological assay
50017758	9	ChEMBL_375068 (CHEMBL864714)	Inhibition of Cathepsin L
50017758	2	ChEMBL_375072 (CHEMBL864719)	Inhibition of CYP2D6
50017758	6	ChEMBL_375066 (CHEMBL864712)	Inhibition of Cathepsin B
50017758	3	ChEMBL_375071 (CHEMBL864718)	Inhibition of CYP2C19
50045993	2	ChEMBL_1499307 (CHEMBL3583449)	Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FLIPR assay
50017758	1	ChEMBL_375073 (CHEMBL864720)	Inhibition of CYP3A4
50017758	4	ChEMBL_375070 (CHEMBL864716)	Inhibition of CYP2C9
50017758	5	ChEMBL_375069 (CHEMBL864715)	Inhibition of CYP1A2
50017759	1	ChEMBL_374847 (CHEMBL864093)	Inhibition of COX2 in human whole blood
50017760	1	ChEMBL_369515 (CHEMBL865375)	Inhibition of [125]I-motilin binding to rabbit motilin receptor
50017760	4	ChEMBL_369519 (CHEMBL865380)	Activity at human motilin receptor transfected in HEK293 cells assessed as inhibition of motilin-induced intracellular calcium mobilization
50017760	3	ChEMBL_369517 (CHEMBL865377)	Activity at rabbit duodenum motilin receptor by tissue contractility assay
50017760	2	ChEMBL_369516 (CHEMBL865376)	Inhibition of [125]I-motilin binding to rabbit motilin receptor at 1 uM
50017761	1	ChEMBL_371315 (CHEMBL865536)	Inhibition of [125I]NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells
50045994	1	ChEMBL_1499430 (CHEMBL3583865)	Inhibition of LDH-B (unknown origin)
50045994	2	ChEMBL_1499429 (CHEMBL3583864)	Inhibition of human LDH-A by biochemical assay
50045995	1	ChEMBL_1499459 (CHEMBL3583992)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay
50045995	2	ChEMBL_1499460 (CHEMBL3583993)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay
50045995	3	ChEMBL_1499462 (CHEMBL3583995)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production
50045995	4	ChEMBL_1499463 (CHEMBL3583996)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production
50045996	1	ChEMBL_1499639 (CHEMBL3584693)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay
50045996	2	ChEMBL_1499633 (CHEMBL3584687)	Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEKT cell membranes by radioligand binding assay
50045996	3	ChEMBL_1499634 (CHEMBL3584688)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay
50045996	4	ChEMBL_1499635 (CHEMBL3584689)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK cell membranes by radioligand binding assay
50045996	5	ChEMBL_1499636 (CHEMBL3584690)	Displacement of [3H]LSD from human recombinant 5-HT5A receptor expressed in Flp-In CHO cell membranes by radioligand binding assay
50045996	6	ChEMBL_1499637 (CHEMBL3584691)	Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in HEK cell membranes by radioligand binding assay
50045996	7	ChEMBL_1499638 (CHEMBL3584692)	Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay
50017767	1	ChEMBL_366241 (CHEMBL863576)	Binding affinity to f7a
50017771	2	ChEMBL_366183 (CHEMBL853398)	Inhibition of GST P1-1
50017771	1	ChEMBL_366182 (CHEMBL853397)	Inhibition of GST A1-1
50017772	1	ChEMBL_370314 (CHEMBL868481)	Affinity for 5HT1A receptor
50017773	1	ChEMBL_366108 (CHEMBL864792)	Inhibition of Trypanosoma cruzi dUTPase at 1 mM
50017774	2	ChEMBL_370710 (CHEMBL867233)	Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor
50017774	1	ChEMBL_370711 (CHEMBL867234)	Displacement of [3H]N-alpha-methylhistamine from rat cloned H3 receptor
50017775	1	ChEMBL_369768 (CHEMBL865368)	Antagonist activity against mGluR5 expressed in CHO cells assessed as inhibition of agonist-induced phosphoinositide hydrolysis
50017775	2	ChEMBL_369765 (CHEMBL865958)	Inhibition of [3H]MPEP binding to mGluR5 in rat brain membrane
50045996	8	ChEMBL_1499793 (CHEMBL3582623)	Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in Flp-IN HEK cell membranes by radioligand binding assay
50045996	9	ChEMBL_1499794 (CHEMBL3582624)	Displacement of [3H]prazosin from human recombinant adrenergic alpha1B receptor expressed in HEKT cell membranes by radioligand binding assay
50045996	10	ChEMBL_1499795 (CHEMBL3582625)	Displacement of [3H]rauwolscine from human recombinant adrenergic alpha2C receptor expressed in MDCK cell membranes by radioligand binding assay
50045996	11	ChEMBL_1499796 (CHEMBL3582626)	Displacement of [3H]CGP12177 from human recombinant adrenergic beta2 receptor expressed in CHO Flp-In cell membranes by radioligand binding assay
50045996	12	ChEMBL_1499797 (CHEMBL3582627)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEKT cell membranes by radioligand binding assay
50045996	13	ChEMBL_1499798 (CHEMBL3582628)	Displacement of [3H]WIN35428 from human recombinant DAT expressed in HEK cell membranes by radioligand binding assay
50045996	14	ChEMBL_1499799 (CHEMBL3582629)	Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK cell membranes by radioligand binding assay
50045996	15	ChEMBL_1499800 (CHEMBL3582630)	Displacement of [3H]citalopram from human recombinant SERT expressed in HEK cell membranes by radioligand binding assay
50045997	1	ChEMBL_1497523 (CHEMBL3582655)	Inhibition of [20-3H]phorbol 12,13-dibutyrate binding to human PKCalpha by scintillation counting based poly(ethylene) glycol precipitation assay
50045998	1	ChEMBL_1497537 (CHEMBL3582669)	Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system after 3 hrs by scintillation counting analysis
50045998	2	ChEMBL_1497542 (CHEMBL3582674)	Silent ligand activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as activation of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50045998	3	ChEMBL_1497551 (CHEMBL3582683)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045998	4	ChEMBL_1497553 (CHEMBL3582685)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045998	5	ChEMBL_1497556 (CHEMBL3582939)	Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045998	6	ChEMBL_1497558 (CHEMBL3582941)	Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50045998	7	ChEMBL_1497538 (CHEMBL3582670)	Agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as activation of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50045998	8	ChEMBL_1497540 (CHEMBL3582672)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50017781	2	ChEMBL_365588 (CHEMBL870943)	Inhibition of CDK5
50017781	1	ChEMBL_365589 (CHEMBL870944)	Inhibition of CDK7
50017781	3	ChEMBL_365587 (CHEMBL870941)	Inhibition of CDK2
50017781	5	ChEMBL_365584 (CHEMBL870933)	Inhibition of CDK4
50017781	6	ChEMBL_365585 (CHEMBL870935)	Inhibition of CDK6
50017781	7	ChEMBL_365590 (CHEMBL870945)	Inhibition of CDK9
50017781	4	ChEMBL_365586 (CHEMBL870940)	Inhibition of CDK1
50017782	3	ChEMBL_377651 (CHEMBL863677)	Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
50017782	2	ChEMBL_377653 (CHEMBL863682)	Agonist activity at S1P5 receptor assessed as induction of [35S]GTP-gamma-S binding
50017782	1	ChEMBL_377652 (CHEMBL863681)	Agonist activity at S1P3 receptor assessed as induction of [35S]GTP-gamma-S binding
50017783	2	ChEMBL_377581 (CHEMBL869293)	Inhibition of CDK2
50017783	1	ChEMBL_377580 (CHEMBL869289)	Inhibition of CDK1
50017785	1	ChEMBL_369836 (CHEMBL865957)	Inhibition of MIF tautomerase activity
50017786	2	ChEMBL_377408 (CHEMBL867956)	Displacement of [3H]DPDPE from delta opioid receptor in Wistar rat brain
50017786	1	ChEMBL_377405 (CHEMBL866768)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain
50017787	13	ChEMBL_377329 (CHEMBL864159)	Inhibition of Itk
50017787	7	ChEMBL_377343 (CHEMBL865403)	Inhibition of Syk
50017787	14	ChEMBL_377347 (CHEMBL865410)	Inhibition of Cdk2
50017787	2	ChEMBL_377352 (CHEMBL865424)	Inhibition of IKK-beta
50017787	6	ChEMBL_377340 (CHEMBL865400)	Inhibition of Btk
50017787	1	ChEMBL_377353 (CHEMBL865426)	Inhibition of GSK3-beta
50017787	3	ChEMBL_377351 (CHEMBL865417)	Inhibition of Akt1
50017787	8	ChEMBL_377342 (CHEMBL865402)	Inhibition of Fyn
50017787	9	ChEMBL_377348 (CHEMBL865413)	Inhibition of ERK1
50045999	1	ChEMBL_1497567 (CHEMBL3582950)	Inhibition of Tenebrio molitor alpha-amylase pre-incubated for 20 mins at 37 degC by bernfeld method
50017787	4	ChEMBL_377341 (CHEMBL865401)	Inhibition of LCK
50017787	12	ChEMBL_377338 (CHEMBL865398)	Inhibition of Txk
50017787	16	ChEMBL_377339 (CHEMBL865399)	Inhibition of Tec
50046000	1	ChEMBL_1497576 (CHEMBL3582959)	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate after 30 mins
50017787	11	ChEMBL_377346 (CHEMBL865409)	Inhibition of EGFR
50017787	15	ChEMBL_377344 (CHEMBL865404)	Inhibition of ZAP70
50017789	2	ChEMBL_377229 (CHEMBL864178)	Inhibition of beta amyloid protein 40
50017789	1	ChEMBL_377230 (CHEMBL864179)	Inhibition of beta amyloid protein 42
50017790	1	ChEMBL_377172 (CHEMBL869696)	Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells
50017790	2	ChEMBL_377175 (CHEMBL869705)	Displacement of [3H]neurokinin B from human recombinant NK3 receptor in CHO cells
50017791	1	ChEMBL_377145 (CHEMBL870294)	Displacement of [3H]CP-55-940 from human recombinant CB1 receptor in COS cells
50017791	2	ChEMBL_377146 (CHEMBL870295)	Displacement of [3H]CP-55-940 from human recombinant CB2 receptor in COS cells
50017792	1	ChEMBL_376957 (CHEMBL864124)	Inhibition of Lck
50017793	1	ChEMBL_376900 (CHEMBL871385)	Inhibition of gamma secretase expressed in SH-SY5Y cells
50017794	3	ChEMBL_352633 (CHEMBL862123)	Inhibition of mouse recombinant sPLA2 G1B
50017794	7	ChEMBL_352638 (CHEMBL862130)	Inhibition of human recombinant sPLA2 G5
50017794	6	ChEMBL_352637 (CHEMBL862129)	Inhibition of mouse recombinant sPLA2 G2E
50017794	9	ChEMBL_352636 (CHEMBL862127)	Inhibition of human recombinant sPLA2 G2E
50017794	5	ChEMBL_352632 (CHEMBL862122)	Inhibition of human recombinant sPLA2 G1B
50017794	4	ChEMBL_352634 (CHEMBL862125)	Inhibition of human recombinant sPLA2 G2A
50017794	10	ChEMBL_352639 (CHEMBL862131)	Inhibition of mouse recombinant sPLA2 G5
50017794	1	ChEMBL_352640 (CHEMBL860950)	Inhibition of human recombinant sPLA2 G10
50017794	2	ChEMBL_352641 (CHEMBL860951)	Inhibition of mouse recombinant sPLA2 G10
50017795	2	ChEMBL_353092 (CHEMBL866936)	Displacement of [3H]ZM 241385 from human adenosine A2a receptor expressed in HEK293 cells
50017795	3	ChEMBL_353094 (CHEMBL866938)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells
50017795	1	ChEMBL_353090 (CHEMBL866934)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50017795	4	ChEMBL_353098 (CHEMBL866942)	Activity against human adenosine A1 receptor in CHO cells assessed by the antagonizing effect of 100 nM CPA on forskolin-induced cAMP production
50017796	2	ChEMBL_353200 (CHEMBL865721)	Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ
50017796	1	ChEMBL_353199 (CHEMBL865719)	Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips
50017797	4	ChEMBL_353243 (CHEMBL865082)	Inhibition of IKK beta
50017797	5	ChEMBL_353249 (CHEMBL865088)	Inhibition of CYP2C9
50017797	8	ChEMBL_353250 (CHEMBL865089)	Inhibition of CYP2C19
50017797	7	ChEMBL_353252 (CHEMBL861848)	Inhibition of CYP3A4
50046001	1	ChEMBL_1497677 (CHEMBL3583257)	Inhibition of human erythrocytes acetylcholinesterase after 30 mins using S-acetylthiocholine iodide substrate by spectrophotometry based Ellman method
50017797	9	ChEMBL_353251 (CHEMBL865090)	Inhibition of CYP2D6
50017797	6	ChEMBL_353248 (CHEMBL865087)	Inhibition of CYP1A2
50046002	1	ChEMBL_1497713 (CHEMBL3582719)	Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay
50017797	1	ChEMBL_353255 (CHEMBL861964)	Inhibition of BTK
50017798	1	ChEMBL_353023 (CHEMBL866923)	Displacement of [3H]1-alpha-25-(OH)2D3 from rat recombinant VDR
50017799	2	ChEMBL_353147 (CHEMBL866947)	Binding affinity to human PNMT
50017800	2	ChEMBL_353294 (CHEMBL861973)	Inhibition of chymotrypsin-like proteasome activity of human 20S proteasome
50017800	4	ChEMBL_353296 (CHEMBL861975)	Inhibition of post glutamyl peptide hydrolase-like proteasome activity of human 20S proteasome
50017800	5	ChEMBL_353298 (CHEMBL861977)	Inhibition of cathepsin S
50017800	3	ChEMBL_353297 (CHEMBL861976)	Inhibition of cathepsin B
50017800	1	ChEMBL_353295 (CHEMBL861974)	Inhibition of trypsin-like proteasome activity of human 20S proteasome
50017802	11	ChEMBL_353429 (CHEMBL870035)	Inhibition of Aspergillus oryzae beta glucosidase at pH 6.8
50017802	2	ChEMBL_353431 (CHEMBL865091)	Inhibition of snail beta mannosidase at pH 4
50017802	7	ChEMBL_353426 (CHEMBL861360)	Inhibition of bovine kidney alpha fucosidase at pH 6.8
50017802	9	ChEMBL_353428 (CHEMBL870034)	Inhibition of Saccharomyces fragilis beta glucosidase at pH 6.8
50017802	4	ChEMBL_353421 (CHEMBL861355)	Inhibition of almond beta glucosidase at pH 6.8
50017802	3	ChEMBL_353430 (CHEMBL870724)	Inhibition of green coffee beans alpha galactosidase at pH 6.8
50046002	2	ChEMBL_1497878 (CHEMBL3582785)	Displacement of [3H]-E2 from estrogen receptor-alpha (unknown origin) by scintillation counting analysis
50017802	6	ChEMBL_353423 (CHEMBL861357)	Inhibition of almond alpha mannosidase at pH 6.8
50017802	1	ChEMBL_353422 (CHEMBL861356)	Inhibition of almond beta glucosidase at pH 5
50017802	10	ChEMBL_353427 (CHEMBL861361)	Inhibition of human placenta alpha fucosidase at pH 6.8
50046002	3	ChEMBL_1497879 (CHEMBL3582786)	Displacement of [3H]-E2 from estrogen receptor-beta (unknown origin) by scintillation counting analysis
50046002	4	ChEMBL_1498072 (CHEMBL3582526)	Inhibition of CYP1A2 (unknown origin)
50046002	5	ChEMBL_1498073 (CHEMBL3582527)	Inhibition of CYP2D6 (unknown origin)
50046002	6	ChEMBL_1498074 (CHEMBL3582528)	Inhibition of CYP3A4 (unknown origin)
50046002	7	ChEMBL_1498075 (CHEMBL3582529)	Inhibition of CYP2C9 (unknown origin)
50046002	8	ChEMBL_1498076 (CHEMBL3582530)	Inhibition of CYP2C19 (unknown origin)
50046002	9	ChEMBL_1498077 (CHEMBL3582531)	Inhibition of CYP2C8 (unknown origin)
50046002	10	ChEMBL_1498078 (CHEMBL3582532)	Antagonist activity at mineralocorticoid receptor (unknown origin) by transcriptional reporter assay
50046002	11	ChEMBL_1498079 (CHEMBL3582533)	Antagonist activity at progesterone-A receptor (unknown origin) by transcriptional reporter assay
50046002	12	ChEMBL_1498080 (CHEMBL3582534)	Antagonist activity at progesterone-B receptor (unknown origin) by transcriptional reporter assay
50046002	13	ChEMBL_1498081 (CHEMBL3582535)	Antagonist activity at glucocorticoid receptor (unknown origin) by transcriptional reporter assay
50046002	14	ChEMBL_1498082 (CHEMBL3582536)	Binding affinity to androgen receptor (unknown origin)
50017804	5	ChEMBL_353579 (CHEMBL861694)	Inhibition of cobalt substituted Escherichia coli LuxS
50017804	4	ChEMBL_353578 (CHEMBL861693)	Inhibition of cobalt substituted Bacillus subtilis LuxS
50017804	2	ChEMBL_353580 (CHEMBL861696)	Inhibition of cobalt substituted Vibrio harveyi LuxS
50017804	1	ChEMBL_353581 (CHEMBL870015)	Inhibition of ferrous substituted Bacillus subtilis LuxS
50017804	3	ChEMBL_353582 (CHEMBL870016)	Inhibition of zinc substituted Bacillus subtilis LuxS
50017806	2	ChEMBL_376789 (CHEMBL866614)	Binding affinity at human MCHR2 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay
50017806	1	ChEMBL_376788 (CHEMBL867266)	Binding affinity at human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay
50046002	15	ChEMBL_1498083 (CHEMBL3582537)	Binding affinity to glucocorticoid receptor (unknown origin)
50017808	1	ChEMBL_376573 (CHEMBL866622)	Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay
50017809	1	ChEMBL_376512 (CHEMBL869042)	Displacement of [125I]NDP-alpha-MSH from human MC4 receptor transfected in HEK293 cells
50017810	3	ChEMBL_376465 (CHEMBL863666)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50017810	2	ChEMBL_376467 (CHEMBL863668)	Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cells
50017811	6	ChEMBL_376408 (CHEMBL866636)	Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
50017811	1	ChEMBL_376411 (CHEMBL868516)	Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells
50017811	2	ChEMBL_376410 (CHEMBL866638)	Agonist activity at S1P5 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
50017811	3	ChEMBL_376407 (CHEMBL866633)	Activity at S1P2 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
50017811	5	ChEMBL_376409 (CHEMBL866637)	Activity at S1P4 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
50017812	1	ChEMBL_376306 (CHEMBL867962)	Activity at human FPRL1-mediated calcium mobilization in CHO cells
50017814	1	ChEMBL_376055 (CHEMBL864809)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells
50017814	2	ChEMBL_376053 (CHEMBL864807)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50017814	3	ChEMBL_376054 (CHEMBL864808)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50017815	1	ChEMBL_384848 (CHEMBL867334)	Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells
50017817	1	ChEMBL_375856 (CHEMBL864194)	Inhibition of CYP450 2C9
50017818	1	ChEMBL_375795 (CHEMBL868535)	Inhibition of human SIRT1
50017820	11	ChEMBL_375682 (CHEMBL863683)	Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells
50017820	1	ChEMBL_375689 (CHEMBL865523)	Binding affinity to human NK1 receptor
50017820	9	ChEMBL_375691 (CHEMBL865526)	Binding affinity to human NK3 receptor
50017820	4	ChEMBL_375685 (CHEMBL863691)	Binding affinity to CCR3
50017820	5	ChEMBL_375686 (CHEMBL863692)	Binding affinity to CCR4
50017820	7	ChEMBL_375693 (CHEMBL864920)	Antagonist activity against CCR2 assessed as inhibition of MCP1-induced calcium flux in human monocytes
50017820	10	ChEMBL_375690 (CHEMBL865527)	Binding affinity to human NK2 receptor
50017820	6	ChEMBL_375684 (CHEMBL863690)	Binding affinity to CCR1
50017820	2	ChEMBL_375687 (CHEMBL863695)	Binding affinity to CCR5
50017820	3	ChEMBL_375688 (CHEMBL863696)	Binding affinity to CCR8
50017820	8	ChEMBL_375692 (CHEMBL864921)	Binding affinity to CCR2 in human monocytes
50046003	1	ChEMBL_1498277 (CHEMBL3583798)	Inhibition of human recombinant POP pre-incubated for 15 mins before Z-Gly-Pro-AMC substrate addition and further incubated for 1 hr by fluorimetry
50046004	1	ChEMBL_1498280 (CHEMBL3583801)	Inhibition of IL6-induced STAT3 activation in human Hep3B cells after 12 hrs by luciferase assay
50017823	1	ChEMBL_375580 (CHEMBL871427)	Binding affinity to human 5HT6 receptor
50017826	1	ChEMBL_383318 (CHEMBL867344)	Inhibition of human recombinant HDAC1
50046005	1	ChEMBL_1498287 (CHEMBL3583910)	In vitro inhibition of full length human ACAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lipid by TLC assay
50017831	1	ChEMBL_384427 (CHEMBL866710)	Inhibition of EGFR-mediated polyGAT phosphorylation at 10 uM
50046005	2	ChEMBL_1498286 (CHEMBL3583909)	In vitro inhibition of full length human DGAT2 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lipid by TLC assay
50046005	3	ChEMBL_1498285 (CHEMBL3583806)	In vitro inhibition of full length human DGAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lipid by TLC assay
50046005	4	ChEMBL_1498284 (CHEMBL3583805)	In vitro inhibition of full length human MGAT3 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lipid by TLC assay
50046005	5	ChEMBL_1498282 (CHEMBL3583803)	In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay
50017833	2	ChEMBL_387236 (CHEMBL864205)	Inhibition of thrombin
50017833	5	ChEMBL_387229 (CHEMBL864198)	Inhibition of human beta tryptase
50017833	3	ChEMBL_387237 (CHEMBL864206)	Inhibition of F7a
50046006	1	ChEMBL_1498305 (CHEMBL3583928)	Agonist activity at human NOP receptor expressed in HEK293 cell membranes assessed as stimulation of [35S]GTPgammaS binding
50046006	2	ChEMBL_1498307 (CHEMBL3583930)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method
50046006	3	ChEMBL_1498308 (CHEMBL3583931)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method
50046006	4	ChEMBL_1498309 (CHEMBL3583932)	Displacement of [3H]nociceptin from human NOP receptor expressed in HEK293 cell membranes incubated for 1 hr by beta counting method
50017833	4	ChEMBL_387238 (CHEMBL864207)	Inhibition of F10a
50017836	5	ChEMBL_382858 (CHEMBL869785)	Inhibition of PTP1B I219A mutant
50017836	3	ChEMBL_382856 (CHEMBL869784)	Inhibition of wild type PTP1B
50017836	2	ChEMBL_382864 (CHEMBL869792)	Inhibition of TCPTP I220A mutant
50017836	4	ChEMBL_382857 (CHEMBL869786)	Inhibition of PTP1B V49A mutant
50017836	1	ChEMBL_382861 (CHEMBL869789)	Inhibition of TCPTP
50046006	5	ChEMBL_1498310 (CHEMBL3583933)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method
50017840	5	ChEMBL_356303 (CHEMBL869358)	Inhibition of human polymerase beta
50046006	6	ChEMBL_1498300 (CHEMBL3583923)	Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding
50017840	4	ChEMBL_356304 (CHEMBL869359)	Inhibition of calf thymus polymerase alpha
50046007	1	ChEMBL_1498490 (CHEMBL3584608)	Activation of GSK-3beta in HEK293 cells assessed as suppression of TCF/beta-catenin transcriptional activity after 24 hrs by SuperTOPFlash reporter gene assay
50017841	2	ChEMBL_356358 (CHEMBL867525)	Binding affinity to ERbeta
50017841	1	ChEMBL_356357 (CHEMBL867524)	Binding affinity to ERalpha
50046008	1	ChEMBL_1498989 (CHEMBL3584390)	Inhibition of human ERG by IonWorks electrophysiology
50046009	1	ChEMBL_1499159 (CHEMBL3585165)	Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by PAGE assay
50046009	2	ChEMBL_1499160 (CHEMBL3585166)	Inhibition of human recombinant TPD2 activity using 5'phosphotyrosine-containing 19-mer single-stranded oligonucleotide DNA substrate by PAGE assay
50046010	1	ChEMBL_1499342 (CHEMBL3583583)	Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate assessed as reduction in 3-Hyroxybutylic acid generation incubated for 1 hr by colorimetric assay
50046011	1	ChEMBL_1499668 (CHEMBL3584845)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes
50017843	7	ChEMBL_357373 (CHEMBL854258)	Inhibition of DPP2
50017843	11	ChEMBL_357329 (CHEMBL867558)	Inhibition of human recombinant DPP4
50017843	5	ChEMBL_357375 (CHEMBL854260)	Inhibition of DPP8
50046011	2	ChEMBL_1499669 (CHEMBL3584846)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes
50017843	6	ChEMBL_357376 (CHEMBL854261)	Inhibition of DPP9
50017843	4	ChEMBL_357378 (CHEMBL854263)	Inhibition of APP
50017843	3	ChEMBL_357340 (CHEMBL862641)	Inhibition of DPP4 in Sprague-Dawley rat plasma
50017843	8	ChEMBL_357374 (CHEMBL854259)	Inhibition of DPP3
50046011	3	ChEMBL_1499670 (CHEMBL3584847)	Activity at human CB2 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay
50046011	4	ChEMBL_1499671 (CHEMBL3584848)	Activity at human CB1 receptor expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by time-resolved FRET assay
50017845	10	ChEMBL_357668 (CHEMBL854264)	Inhibition of endogenous FLT3 in EOL1 cells
50017845	4	ChEMBL_357671 (CHEMBL854267)	Inhibition of human PDGFR beta
50017845	6	ChEMBL_357669 (CHEMBL854265)	Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts
50017845	5	ChEMBL_357670 (CHEMBL854266)	Inhibition of human FLT3
50017845	7	ChEMBL_357678 (CHEMBL871311)	Inhibition of recombinant Abl
50017845	3	ChEMBL_357675 (CHEMBL871308)	Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing wild-type KIT
50017845	9	ChEMBL_357676 (CHEMBL871309)	Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing KIT V558D mutant
50017845	1	ChEMBL_357673 (CHEMBL871306)	Antiproliferative activity against mouse 32Dcl3 cell line expressing FLT3-ITD
50017845	2	ChEMBL_357672 (CHEMBL871305)	Antiproliferative activity against mouse 32Dcl3 cell line expressing wild-type FLT3
50017845	8	ChEMBL_357679 (CHEMBL871312)	Inhibition of oncogenic Bcr-Abl kinase in K562 cells
50017846	44	ChEMBL_357738 (CHEMBL870197)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells
50017846	16	ChEMBL_357796 (CHEMBL862260)	Binding affinity to orphanin receptor by radioligand binding assay
50017846	33	ChEMBL_357741 (CHEMBL870200)	Binding affinity to D2 receptor by radioligand binding assay
50017846	46	ChEMBL_357755 (CHEMBL853270)	Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay
50017846	2	ChEMBL_357751 (CHEMBL853266)	Binding affinity to 5HT7 receptor by radioligand binding assay
50017846	9	ChEMBL_357807 (CHEMBL862271)	Binding affinity to dopamine transporter by radioligand binding assay
50017846	13	ChEMBL_357749 (CHEMBL870838)	Displacement of [3H]RX 821002 from Adrenergic alpha-2a receptor in rat cerebral cortex cells
50017846	42	ChEMBL_357753 (CHEMBL853268)	Binding affinity to 5HT2B receptor by radioligand binding assay
50017846	38	ChEMBL_357759 (CHEMBL859017)	Binding affinity to 5HT1B receptor in rat cerebral cortex by radioligand binding assay
50017846	4	ChEMBL_357765 (CHEMBL859022)	Binding affinity to human 5HT6 receptor by radioligand binding assay
50017846	29	ChEMBL_357763 (CHEMBL859020)	Binding affinity to human 5HT4e receptor by radioligand binding assay
50017846	26	ChEMBL_357760 (CHEMBL859771)	Binding affinity to bovine 5HT1D receptor by radioligand binding assay
50017846	11	ChEMBL_357806 (CHEMBL862270)	Binding affinity to norepinephrine transporter by radioligand binding assay
50017846	3	ChEMBL_357752 (CHEMBL853267)	Binding affinity to 5HT2A receptor by radioligand binding assay
50017846	39	ChEMBL_357754 (CHEMBL853269)	Binding affinity to 5HT transporter by radioligand binding assay
50017846	35	ChEMBL_357758 (CHEMBL859016)	Binding affinity to 5HT1A receptor in rat cerebral cortex by radioligand binding assay
50046011	5	ChEMBL_1499697 (CHEMBL3584874)	Binding affinity to human CB2 receptor
50046012	1	ChEMBL_1499716 (CHEMBL3585032)	Inhibition of phosphorylation of c-Met in human MKN45 cells
50017846	27	ChEMBL_357761 (CHEMBL859018)	Binding affinity to human 5HT2C receptor by radioligand binding assay
50017846	1	ChEMBL_357764 (CHEMBL859021)	Binding affinity to human 5HT5A receptor by radioligand binding assay
50017846	30	ChEMBL_357799 (CHEMBL862263)	Binding affinity to sigma receptor by radioligand binding assay
50046012	2	ChEMBL_1499715 (CHEMBL3585031)	Inhibition of RON (unknown origin) transfected in 293T cells assessed as autophosporylated level by ELISA
50046012	3	ChEMBL_1499717 (CHEMBL3585033)	Inhibition of RON phosphorylation in human PC3 cells
50046012	4	ChEMBL_1499718 (CHEMBL3585034)	Inhibition of RON phosphorylation in human HT29 cells
50046013	1	ChEMBL_1499886 (CHEMBL3583218)	Antagonist activity at human glucocorticoid receptor transfected in CHOK1 cells assessed as inhibition of dexamethasone-induced receptor transcriptional activity after 6 hrs by luciferase reporter gene assay
50046013	2	ChEMBL_1499885 (CHEMBL3583217)	Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis
50046013	3	ChEMBL_1499884 (CHEMBL3583216)	Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis
50017852	2	ChEMBL_359268 (CHEMBL871204)	Binding affinity to PKCdeltaC1b in absence of phospholipid
50046013	4	ChEMBL_1499890 (CHEMBL3583484)	Displacement of [3H]-aldosterone from cytosolic fraction of human recombinant mineralocorticoid receptor by scintillation counting analysis
50046013	5	ChEMBL_1499891 (CHEMBL3583485)	Displacement of fluormone ES2 from human recombinant estrogen receptor-alpha expressed in insect Sf9 cells after 120 mins by fluorescence polarization assay
50046013	6	ChEMBL_1499892 (CHEMBL3583486)	Displacement of fluormone ES2 from human recombinant estrogen receptor-beta expressed in insect Hi5 cells after 120 mins by fluorescence polarization assay
50046013	7	ChEMBL_1499893 (CHEMBL3583487)	Displacement of [3H]methyltrienolone from cytosolic fraction of androgen receptor in human LANCAP cells after 24 hrs by scintillation counting analysis
50046013	8	ChEMBL_1500023 (CHEMBL3584019)	Binding affinity to human progesterone receptor by competitive assay
50046014	3	ChEMBL_1500025 (CHEMBL3584021)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay
50046015	22	ChEMBL_1500054 (CHEMBL3584050)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for paclitaxel at 1 uM after 5 days by CellTiter 96 Aqueous assay
50046015	17	ChEMBL_1500056 (CHEMBL3584052)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival after 5 days by MTS assay
50046015	20	ChEMBL_1500057 (CHEMBL3584053)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vinblastine resistance measured as cell survival after 5 days by MTS assay
50017858	1	ChEMBL_360487 (CHEMBL859156)	Binding affinity to human recombinant Src
50017858	2	ChEMBL_360488 (CHEMBL859157)	Binding affinity to human recombinant Abl
50017860	2	ChEMBL_361060 (CHEMBL859182)	Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes
50017860	1	ChEMBL_361059 (CHEMBL859181)	Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells
50046015	19	ChEMBL_1500167 (CHEMBL3584716)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversible of paclitaxel resistance measured as IC50 for paclitaxel at 10 uM after 5 days by CellTiter 96 Aqueous assay
50046015	21	ChEMBL_1500151 (CHEMBL3584585)	Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topotecan IC50 at 1 uM after 5 days by MTS assay
50046015	18	ChEMBL_1500058 (CHEMBL3584172)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vincristine resistance measured as cell survival after 5 days by MTS assay
50046015	23	ChEMBL_1500059 (CHEMBL3584173)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival after 5 days by MTS assay
50046015	24	ChEMBL_1500149 (CHEMBL3584583)	Modulation of MRP1 (unknown origin) transfected in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity measured as doxorubicin IC50 at 1 uM after 5 days by MTS assay
50017862	3	ChEMBL_361176 (CHEMBL859165)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane
50017862	2	ChEMBL_361173 (CHEMBL859162)	Displacement of [3H]R-PIA from human adenosine A2A receptor in HEK293 cells
50017862	1	ChEMBL_361171 (CHEMBL859160)	Displacement of [3H]R-PIA from human adenosine A1 receptor in CHO membrane
50017863	24	ChEMBL_361235 (CHEMBL871297)	Binding affinity to human recombinant GnRH receptor
50017863	7	ChEMBL_361264 (CHEMBL870232)	Binding affinity to human mu opiate receptor
50017863	9	ChEMBL_361241 (CHEMBL854273)	Inhibition of CYP2C19
50017863	28	ChEMBL_361257 (CHEMBL870225)	Binding affinity to human D4.4 receptor
50017863	4	ChEMBL_361269 (CHEMBL853304)	Binding affinity to human 5HT transporter
50017863	23	ChEMBL_361253 (CHEMBL853283)	Binding affinity to human NE transporter
50017863	26	ChEMBL_361234 (CHEMBL871296)	Binding affinity to rat pituitary GnRH receptor
50017863	12	ChEMBL_361242 (CHEMBL854274)	Inhibition of CYP2D6
50017863	13	ChEMBL_361244 (CHEMBL853274)	Inhibition of CYP2C9
50017863	17	ChEMBL_361259 (CHEMBL870227)	Binding affinity to H2 receptor
50017863	21	ChEMBL_361254 (CHEMBL853284)	Binding affinity to human AT1 receptor
50017863	6	ChEMBL_361263 (CHEMBL870231)	Binding affinity to kappa opiate receptor
50017863	2	ChEMBL_361267 (CHEMBL870243)	Binding affinity to human 5HT2C receptor
50017863	22	ChEMBL_361236 (CHEMBL871298)	Antagonist activity at human recombinant GnRH receptor assessed as inhibition of GnRH-stimulated inositol phosphate accumulation
50017863	29	ChEMBL_361256 (CHEMBL870224)	Binding affinity to human D3 receptor
50017863	1	ChEMBL_361266 (CHEMBL870242)	Binding affinity to human 5HT2A receptor
50017863	31	ChEMBL_361260 (CHEMBL870228)	Binding affinity to human M1 receptor
50017863	10	ChEMBL_361240 (CHEMBL854272)	Inhibition of CYP1A2
50017863	27	ChEMBL_361258 (CHEMBL870226)	Binding affinity to human DA transporter
50017863	8	ChEMBL_361265 (CHEMBL870241)	Binding affinity to PAF
50017863	20	ChEMBL_361237 (CHEMBL871299)	Antagonist activity at rat pituitary GnRH receptor assessed as inhibition of GnRH-stimulated inositol phosphate accumulation
50017863	32	ChEMBL_361261 (CHEMBL870229)	Binding affinity to human M4 receptor
50017863	3	ChEMBL_361268 (CHEMBL870244)	Binding affinity to human 5HT7 receptor
50017863	25	ChEMBL_361252 (CHEMBL853282)	Binding affinity to human A3 receptor
50017863	30	ChEMBL_361255 (CHEMBL853317)	Binding affinity to human D1 receptor
50017863	5	ChEMBL_361262 (CHEMBL870230)	Binding affinity to human NK1 receptor
50017863	19	ChEMBL_361273 (CHEMBL853310)	Binding affinity to verapamil site of N type calcium channel
50017863	11	ChEMBL_361243 (CHEMBL853273)	Inhibition of CYP3A4
50046016	4	ChEMBL_1500168 (CHEMBL3584717)	Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay
50046016	6	ChEMBL_1500169 (CHEMBL3584718)	Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay
50046016	5	ChEMBL_1500179 (CHEMBL3584728)	Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay
50017874	5	ChEMBL_377988 (CHEMBL867337)	Inhibition of MMP13
50017874	1	ChEMBL_377985 (CHEMBL866144)	Inhibition of MMP1
50017874	4	ChEMBL_377971 (CHEMBL868588)	Inhibition of TACE by FRET assay
50017874	2	ChEMBL_377986 (CHEMBL869795)	Inhibition of MMP2
50017875	5	ChEMBL_385594 (CHEMBL869127)	Binding affinity to urokinase
50017875	15	ChEMBL_385580 (CHEMBL869801)	Binding affinity to human tryptase beta2
50017875	8	ChEMBL_385587 (CHEMBL869808)	Binding affinity to thrombin
50017875	9	ChEMBL_385589 (CHEMBL869122)	Binding affinity to kallikrein
50017875	2	ChEMBL_385583 (CHEMBL869804)	Binding affinity to mouse tryptase
50017875	11	ChEMBL_385591 (CHEMBL869124)	Binding affinity to chymotrypsin
50017875	7	ChEMBL_385588 (CHEMBL869121)	Binding affinity to plasmin
50017875	3	ChEMBL_385595 (CHEMBL869128)	Binding affinity to Granzyme K
50017875	1	ChEMBL_385584 (CHEMBL869805)	Binding affinity to rat tryptase
50017875	6	ChEMBL_385585 (CHEMBL869806)	Binding affinity to recombinant cynomolgus monkey tryptase
50017875	4	ChEMBL_385586 (CHEMBL869807)	Binding affinity to dog tryptase
50017875	13	ChEMBL_385593 (CHEMBL869126)	Binding affinity to chymase
50017875	10	ChEMBL_385590 (CHEMBL869123)	Binding affinity to APC
50017876	1	ChEMBL_383093 (CHEMBL867341)	Inhibition of MEK1
50017880	2	ChEMBL_389725 (CHEMBL868032)	Agonist activity at guinea pig H2R
50017880	1	ChEMBL_389723 (CHEMBL868030)	Agonist activity at human H2R
50046017	9	ChEMBL_1497736 (CHEMBL3582742)	Inhibition of human recombinant CYP3A4 using testosterone as substrate after 1 hr by LC-MS/MS analysis
50046017	8	ChEMBL_1497735 (CHEMBL3582741)	Inhibition of human recombinant CYP3A4 using midazolam as substrate after 1 hr by LC-MS/MS analysis
50046017	12	ChEMBL_1497734 (CHEMBL3582740)	Inhibition of human recombinant CYP2D6 after 1 hr by LC-MS/MS analysis
50046017	11	ChEMBL_1497733 (CHEMBL3582739)	Inhibition of human recombinant CYP2C19 after 1 hr by LC-MS/MS analysis
50046017	13	ChEMBL_1497731 (CHEMBL3582737)	Inhibition of human recombinant CYP1A2 after 1 hr by LC-MS/MS analysis
50046017	14	ChEMBL_1497732 (CHEMBL3582738)	Inhibition of human recombinant CYP2C9 after 1 hr by LC-MS/MS analysis
50046017	10	ChEMBL_1497730 (CHEMBL3582736)	Inhibition of human ERG expressed in CHO cells assessed as whole cell current by patch clamp assay
50017884	1	ChEMBL_384498 (CHEMBL866716)	Displacement of [125I]galanin from human galanin Gal3 receptor
50017884	3	ChEMBL_384502 (CHEMBL866720)	Binding affinity to human adrenergic alpha-1A receptor
50017884	2	ChEMBL_384500 (CHEMBL866718)	Binding affinity to human dopamine D5 receptor
50017887	1	ChEMBL_388024 (CHEMBL869782)	Binding affinity to HCV NS3 protease
50046018	6	ChEMBL_1497758 (CHEMBL3583017)	Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of UTP-induced Ca2+ responses pre-incubated for 30 mins before UTP stimulation by FLIPR assay
50017889	2	ChEMBL_383639 (CHEMBL868002)	Binding affinity to human ERbeta
50017889	1	ChEMBL_383638 (CHEMBL868001)	Binding affinity to human ERalpha
50017889	3	ChEMBL_383644 (CHEMBL867408)	Agonist activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene
50017889	4	ChEMBL_383642 (CHEMBL867406)	Agonist activity at human ERalpha transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene
50017890	2	ChEMBL_384714 (CHEMBL869797)	Inhibition of human recombinant Src
50017890	1	ChEMBL_384715 (CHEMBL869798)	Inhibition of Src dependent proliferation
50017891	5	ChEMBL_379522 (CHEMBL864253)	Inhibition of CKIT
50017891	3	ChEMBL_379519 (CHEMBL864250)	Inhibition of TIE2
50017891	1	ChEMBL_379520 (CHEMBL864251)	Inhibition of FLT1
50046018	8	ChEMBL_1497756 (CHEMBL3583015)	Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of trypsin-induced Ca2+ responses pre-incubated for 30 mins before trypsin stimulation by FLIPR assay
50046018	5	ChEMBL_1497757 (CHEMBL3583016)	Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of thrombin-induced Ca2+ responses pre-incubated for 30 mins before thrombin stimulation by FLIPR assay
50046018	7	ChEMBL_1497755 (CHEMBL3583014)	Antagonist activity against PAR2 in human HT29 cells assessed as inhibition of SLIGKV-induced Ca2+ responses pre-incubated for 30 mins before SLIGKV stimulation by FLIPR assay
50017892	1	ChEMBL_377860 (CHEMBL868603)	Inhibition of human serum AchE
50017892	3	ChEMBL_377861 (CHEMBL868604)	Inhibition of electric eel AchE
50017892	2	ChEMBL_377859 (CHEMBL868602)	Inhibition of rat brain homogenate AchE
50017894	3	ChEMBL_389968 (CHEMBL868631)	Binding affinity to PPARgamma by radio ligand binding assay
50017894	2	ChEMBL_389969 (CHEMBL868632)	Binding affinity to PPARdelta by radio ligand binding assay
50017894	4	ChEMBL_389967 (CHEMBL864209)	Binding affinity to PPARalpha by radio ligand binding assay
50017894	6	ChEMBL_389972 (CHEMBL868635)	Activity at PPARgamma by luciferase reporter gene transactivation assay relative to edaglitazone
50017894	1	ChEMBL_389971 (CHEMBL868634)	Activity at PPARalpha by luciferase reporter gene transactivation assay relative to farglitazar
50017894	5	ChEMBL_389973 (CHEMBL868636)	Activity at PPARdelta by luciferase reporter gene transactivation assay relative to GW 501516
50046019	2	ChEMBL_1497759 (CHEMBL3583018)	Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 addition measured after 15 mins by HTRF assay
50046020	2	ChEMBL_1497761 (CHEMBL3583020)	Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes
50046021	5	ChEMBL_1497770 (CHEMBL3583290)	Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation counting analysis
50046021	6	ChEMBL_1497771 (CHEMBL3583291)	Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation counting analysis
50046021	4	ChEMBL_1497913 (CHEMBL3583057)	Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation counting analysis
50046022	8	ChEMBL_1497947 (CHEMBL3583346)	Inhibition of Mer (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
50046022	9	ChEMBL_1497944 (CHEMBL3583343)	Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
50046022	7	ChEMBL_1497946 (CHEMBL3583345)	Inhibition of Axl (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
50046022	6	ChEMBL_1498131 (CHEMBL3583096)	Inhibition of human ERG channel
50046022	10	ChEMBL_1497948 (CHEMBL3583347)	Inhibition of Tyro3 (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
50046023	26	ChEMBL_1498162 (CHEMBL3583382)	Antagonist activity against human recombinant SSTR3 expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation in presence of SS-14 by time-resolved fluorescence assay
50017897	1	ChEMBL_379667 (CHEMBL866104)	Inhibition of Plasmodium falciparum DHFR
50017897	3	ChEMBL_379666 (CHEMBL866099)	Inhibition of Cryptosporidium hominis DHFR
50017897	2	ChEMBL_379668 (CHEMBL866112)	Inhibition of Pneumocystis carinii DHFR
50017898	1	ChEMBL_382954 (CHEMBL866709)	Inhibition of rat microsomal 17,20-lyase component of P450-17alpha
50017898	2	ChEMBL_382953 (CHEMBL866708)	Inhibition of rat microsomal 17-alpha-hydroxylase component of P450-17alpha
50046023	24	ChEMBL_1498161 (CHEMBL3583381)	Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50046023	28	ChEMBL_1498170 (CHEMBL3583390)	Binding affinity to rat SSTR3
50046023	44	ChEMBL_1498326 (CHEMBL3584060)	Inhibition of NK2 receptor (unknown origin)
50046023	40	ChEMBL_1498322 (CHEMBL3584056)	Inhibition of CYP3A4 (unknown origin)
50046023	34	ChEMBL_1498174 (CHEMBL3583394)	Displacement of [125I]SS-14 from human recombinant SSTR2 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50046023	35	ChEMBL_1498164 (CHEMBL3583384)	Inhibition of human ERG by Patchexpress patch clamp assay
50046023	23	ChEMBL_1498183 (CHEMBL3583403)	Inhibition of Nav1.5 (unknown origin)
50046023	43	ChEMBL_1498325 (CHEMBL3584059)	Inhibition of PDE4 (unknown origin)
50046023	36	ChEMBL_1498175 (CHEMBL3583395)	Displacement of [125I]SS-14 from human recombinant SSTR4 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50046023	33	ChEMBL_1498163 (CHEMBL3583383)	Inhibition of MK499 binding to human ERG
50046023	29	ChEMBL_1498171 (CHEMBL3583391)	Binding affinity to dog SSTR3
50046023	39	ChEMBL_1498321 (CHEMBL3584055)	Inhibition of CYP2D6 (unknown origin)
50046023	25	ChEMBL_1498184 (CHEMBL3583404)	Inhibition of Cav1.2 (unknown origin)
50046023	42	ChEMBL_1498328 (CHEMBL3584062)	Inhibition of SSTR5 receptor (unknown origin)
50046023	30	ChEMBL_1498176 (CHEMBL3583396)	Displacement of [125I]SS-14 from human recombinant SSTR5 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50046023	32	ChEMBL_1498185 (CHEMBL3583405)	Inhibition of CYP2C8 (unknown origin)
50046023	38	ChEMBL_1498324 (CHEMBL3584058)	Inhibition of PXR (unknown origin)
50046023	31	ChEMBL_1498320 (CHEMBL3584054)	Inhibition of CYP2C9 (unknown origin)
50017900	2	ChEMBL_384999 (CHEMBL869824)	Inhibition of 5HT2C assessed as intracellular calcium concentration
50017900	1	ChEMBL_384996 (CHEMBL869818)	Binding affinity to 5HT2C
50017902	3	ChEMBL_379862 (CHEMBL864850)	Displacement of [3H]U-69593 from kappa opioid receptor
50017902	1	ChEMBL_379863 (CHEMBL864851)	Antagonist activity against mu opioid receptor in guinea-pig ileum assay
50046023	27	ChEMBL_1498173 (CHEMBL3583393)	Displacement of [125I]SS-14 from human recombinant SSTR1 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50046023	41	ChEMBL_1498327 (CHEMBL3584061)	Inhibition of SSTR1 receptor (unknown origin)
50017904	3	ChEMBL_380767 (CHEMBL867360)	Agonist activity at PPARgamma by transactivation assay
50017904	1	ChEMBL_380765 (CHEMBL867358)	Agonist activity at PPARalpha by transactivation assay
50017904	2	ChEMBL_380766 (CHEMBL867359)	Agonist activity at PPARdelta by transactivation assay
50017906	4	ChEMBL_380316 (CHEMBL864892)	Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA
50017906	7	ChEMBL_380315 (CHEMBL863748)	Inhibition of cMet by HTRF assay
50017906	2	ChEMBL_380314 (CHEMBL863747)	Inhibition of Lck by HTRF assay
50017906	3	ChEMBL_380311 (CHEMBL866113)	Inhibition of Tie2 by HTRF assay
50017906	8	ChEMBL_380316 (CHEMBL864892)	Inhibition of VEGF-induced human KDR phosphorylation transfected in NIH3T3 cells by ELISA
50017906	5	ChEMBL_380307 (CHEMBL866108)	Inhibition of FLT1 by HTRF assay
50017906	9	ChEMBL_380309 (CHEMBL866110)	Inhibition of cKit by HTRF assay
50017906	1	ChEMBL_380313 (CHEMBL863746)	Inhibition of EGFR by HTRF assay
50017907	1	ChEMBL_379269 (CHEMBL866102)	Inhibition of human cathepsin S
50017907	2	ChEMBL_379268 (CHEMBL866101)	Inhibition of human cathepsin B
50017907	3	ChEMBL_379267 (CHEMBL866100)	Inhibition of human cathepsin L
50017907	4	ChEMBL_379266 (CHEMBL853454)	Inhibition of human cathepsin K
50046023	37	ChEMBL_1498169 (CHEMBL3583389)	Displacement of [125I]SS-14 from mouse recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
50017908	4	ChEMBL_378654 (CHEMBL871490)	Inhibition of COX2
50017908	8	ChEMBL_378648 (CHEMBL853469)	Inhibition at recombinant human CYP2C19
50017908	2	ChEMBL_378651 (CHEMBL853472)	Inhibition at rat serotonin transporter
50017908	7	ChEMBL_378649 (CHEMBL853470)	Inhibition at CYP2C9
50046024	2	ChEMBL_1498375 (CHEMBL3584204)	Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50017908	5	ChEMBL_378650 (CHEMBL853471)	Inhibition at rat aldose reductase
50046025	1	ChEMBL_1498378 (CHEMBL3584207)	Inhibition of PI3Kbeta (unknown origin)
50017909	1	ChEMBL_390360 (CHEMBL869840)	Binding affinity to MCHR1
50017909	2	ChEMBL_390361 (CHEMBL869841)	Inhibition of hERG channel by voltage clamp assay
50017912	1	ChEMBL_389337 (CHEMBL868650)	Inhibition of human recombinant Lck in presence of 10 mM ATP
50017912	2	ChEMBL_389341 (CHEMBL869827)	Inhibition of human recombinant Src in presence of 10 mM ATP
50017912	3	ChEMBL_389340 (CHEMBL868659)	Inhibition of human recombinant Hck in presence of 10 mM ATP
50046025	2	ChEMBL_1498379 (CHEMBL3584208)	Inhibition of PI3Kdelta (unknown origin)
50046025	3	ChEMBL_1498377 (CHEMBL3584206)	Inhibition of PI3Kalpha H1047R mutant (unknown origin)
50046025	4	ChEMBL_1498376 (CHEMBL3584205)	Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
50017913	2	ChEMBL_378763 (CHEMBL854582)	Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method
50046025	5	ChEMBL_1498380 (CHEMBL3584209)	Inhibition of PI3Kgamma (unknown origin)
50017913	3	ChEMBL_378750 (CHEMBL871495)	Displacement of [3H]NOP from human NOP receptors expressed in HEK293 cells
50046026	1	ChEMBL_1498391 (CHEMBL3584220)	Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
50017913	4	ChEMBL_378751 (CHEMBL871496)	Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells
50046027	1	ChEMBL_1498542 (CHEMBL3584795)	Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate assessed as 33P incorporation into substrate peptide after 30 mins by beta scintillation counting analysis in presence of [33P]gamma-ATP
50046027	2	ChEMBL_1498541 (CHEMBL3584794)	Inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate assessed as 33P incorporation into substrate peptide after 30 mins by beta scintillation counting analysis in presence of [33P]gamma-ATP
50046028	1	ChEMBL_1498543 (CHEMBL3584796)	Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
50017915	3	ChEMBL_362488 (CHEMBL866986)	Inhibition of chymotrypsin
50017915	5	ChEMBL_362490 (CHEMBL866339)	Inhibition of human rhinovirus 14 3C protease
50017915	2	ChEMBL_362487 (CHEMBL868162)	Inhibition of papain
50017917	5	ChEMBL_362615 (CHEMBL853224)	Inhibition of human recombinant 11betaHSD2 transfected in intact HEK293 cells
50017917	4	ChEMBL_362612 (CHEMBL870159)	Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells
50017917	7	ChEMBL_362622 (CHEMBL853232)	Antagonist activity against MR
50046029	33	ChEMBL_1498685 (CHEMBL3582854)	Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50017917	3	ChEMBL_362614 (CHEMBL853223)	Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells
50046029	22	ChEMBL_1498728 (CHEMBL3583141)	Inhibition of Tel-fused ROS (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	20	ChEMBL_1498727 (CHEMBL3583140)	Inhibition of Tel-fused RON (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	7	ChEMBL_1498715 (CHEMBL3583128)	Inhibition of Tel-fused FMS (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	5	ChEMBL_1498714 (CHEMBL3583127)	Inhibition of Tel-fused FLT3 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	31	ChEMBL_1498687 (CHEMBL3582856)	Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	17	ChEMBL_1498711 (CHEMBL3583124)	Inhibition of Tel-fused FGFR4 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	10	ChEMBL_1498730 (CHEMBL3583143)	Inhibition of Tel-fused SYK (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	25	ChEMBL_1498709 (CHEMBL3583122)	Inhibition of Tel-fused BMX (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	16	ChEMBL_1498732 (CHEMBL3583145)	Inhibition of Tel-fused TYRO3 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	4	ChEMBL_1498717 (CHEMBL3583130)	Inhibition of Tel-fused INSR (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	21	ChEMBL_1498706 (CHEMBL3583119)	Inhibition of NMP-fused ALK (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50017920	2	ChEMBL_362909 (CHEMBL866344)	Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells
50017920	1	ChEMBL_362910 (CHEMBL866345)	Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells
50046029	8	ChEMBL_1498718 (CHEMBL3583131)	Inhibition of Tel-fused JAK2 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	6	ChEMBL_1498736 (CHEMBL3583413)	Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase reporter gene assay
50046029	19	ChEMBL_1498705 (CHEMBL3583118)	Inhibition of BCR-fused ABL (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	18	ChEMBL_1498733 (CHEMBL3583410)	Inhibition of Tel-fused ZAP70 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	15	ChEMBL_1498710 (CHEMBL3583123)	Inhibition of Tel-fused FGFR3 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	36	ChEMBL_1498721 (CHEMBL3583134)	Inhibition of Tel-fused LCK (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	35	ChEMBL_1498724 (CHEMBL3583137)	Inhibition of Tel-fused MET (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	27	ChEMBL_1498729 (CHEMBL3583142)	Inhibition of Tel-fused SRC (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	24	ChEMBL_1498726 (CHEMBL3583139)	Inhibition of Tel-fused RET (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	29	ChEMBL_1498686 (CHEMBL3582855)	Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	30	ChEMBL_1498720 (CHEMBL3583133)	Inhibition of Tel-fused KIT (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	23	ChEMBL_1498725 (CHEMBL3583138)	Inhibition of Tel-fused PDGFRbeta (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50017922	1	ChEMBL_363126 (CHEMBL870843)	Inhibition of serum-stimulated proliferation of mouse ERBB2 transfected NIH3T3 cell line after 24 hrs
50017922	2	ChEMBL_363124 (CHEMBL870841)	Inhibition of EGFR tyrosine kinase
50017925	7	ChEMBL_363784 (CHEMBL860507)	Displacement of [3H]spiperone from human D2 short receptor expressed in CHO cells
50017925	6	ChEMBL_363785 (CHEMBL860508)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50017925	8	ChEMBL_363783 (CHEMBL860506)	Displacement of [3H]spiperone from human D2 long receptor expressed in CHO cells
50046029	11	ChEMBL_1498731 (CHEMBL3583144)	Inhibition of Tel-fused TIE1 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50017925	9	ChEMBL_363782 (CHEMBL860505)	Displacement of [3H]SCH 23390 from D1 receptor of porcine striatal membrane
50017925	5	ChEMBL_363786 (CHEMBL860509)	Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells
50017925	4	ChEMBL_363787 (CHEMBL860510)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor of porcine cortical membrane
50017925	1	ChEMBL_363791 (CHEMBL860514)	Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells assessed as rate of [3H]thymidine incorporation by mitogenesis assay
50046029	37	ChEMBL_1498722 (CHEMBL3583135)	Inhibition of Tel-fused LYN (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	14	ChEMBL_1498735 (CHEMBL3583412)	Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation
50046029	34	ChEMBL_1498723 (CHEMBL3583136)	Inhibition of Tel-fused MER (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	13	ChEMBL_1498713 (CHEMBL3583126)	Inhibition of Tel-fused FLT1 (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	12	ChEMBL_1498712 (CHEMBL3583125)	Inhibition of Tel-fused FGR (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	3	ChEMBL_1498716 (CHEMBL3583129)	Inhibition of Tel-fused IGF1R (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	9	ChEMBL_1498719 (CHEMBL3583132)	Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	28	ChEMBL_1498708 (CHEMBL3583121)	Inhibition of Tel-fused BRAF (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	26	ChEMBL_1498707 (CHEMBL3583120)	Inhibition of Tel-fused ALK (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant mouse IL3
50046029	32	ChEMBL_1498684 (CHEMBL3582853)	Inhibition of TRKB (unknown origin) by scintillation proximity assay
50046030	1	ChEMBL_1498848 (CHEMBL3583822)	Agonist activity at mouse MC3 receptor expressed in HEK-293 cells assessed as cAMP response measured after 2 hrs incubation by cAMP Alphascreen assay
50046030	2	ChEMBL_1498846 (CHEMBL3583820)	Agonist activity at mouse MC1 receptor expressed in HEK-293 cells assessed as cAMP response measured after 2 hrs incubation by cAMP Alphascreen assay
50046030	3	ChEMBL_1498850 (CHEMBL3583824)	Agonist activity at mouse MC4 receptor expressed in HEK-293 cells assessed as cAMP response measured after 2 hrs incubation by cAMP Alphascreen assay
50046030	4	ChEMBL_1498852 (CHEMBL3583826)	Agonist activity at mouse MC5 receptor expressed in HEK-293 cells assessed as cAMP response measured after 2 hrs incubation by cAMP Alphascreen assay
50046031	1	ChEMBL_1498865 (CHEMBL3583945)	Inhibition of human CYP21 expressed in COS7 cells incubated for 1 hr before 17-hydroxypregnenolone substrate addition by HTRF-based assay
50046031	2	ChEMBL_1498866 (CHEMBL3583946)	Inhibition of CYP3A4 (unknown origin)
50046031	3	ChEMBL_1498873 (CHEMBL3583953)	Inhibition of adrenergic alpha-2B receptor (unknown origin)
50046031	4	ChEMBL_1498874 (CHEMBL3583954)	Inhibition of MK-0499 binding to Nav1.5 (unknown origin)
50046031	5	ChEMBL_1498875 (CHEMBL3583955)	Inhibition of MK-0499 binding to Cav1.2 (unknown origin)
50046031	6	ChEMBL_1498855 (CHEMBL3583829)	Inhibition of human CYP17 expressed in COS7 cells incubated for 1 hr before 17-hydroxypregnenolone substrate addition by EIA method
50046031	7	ChEMBL_1498856 (CHEMBL3583830)	Inhibition of CYP19 (unknown origin) using MFC substrate incubated for 30 mins
50046031	8	ChEMBL_1498858 (CHEMBL3583832)	Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay
50017928	1	ChEMBL_364000 (CHEMBL860177)	Displacement of [3H]deltorphin C from rat delta opioid receptor in brain P2 synaptosomes
50017928	2	ChEMBL_364005 (CHEMBL860183)	Functional bioactivity against mu opioid receptor in guinea-pig ileum
50017928	3	ChEMBL_364004 (CHEMBL860182)	Functional bioactivity against delta opioid receptor in mouse vas deferens
50017928	4	ChEMBL_364001 (CHEMBL860178)	Displacement of [3H]DAMGO from rat mu opioid receptor in brain P2 synaptosomes
50017930	1	ChEMBL_364154 (CHEMBL870844)	Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells
50017930	4	ChEMBL_364157 (CHEMBL870209)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50017930	3	ChEMBL_364155 (CHEMBL870845)	Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells
50017930	2	ChEMBL_364156 (CHEMBL870846)	Displacement of [3H]ZM-241385 from human adenosine A2a receptor expressed in HEK cells
50017932	3	ChEMBL_364279 (CHEMBL863217)	Activity at TPalpha (short isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization
50017932	5	ChEMBL_364277 (CHEMBL863215)	Displacement of [3H]SQ-29548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM
50017932	4	ChEMBL_364276 (CHEMBL863214)	Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM
50017932	2	ChEMBL_364280 (CHEMBL863218)	Activity at TPbeta (long isoform) receptor expressed in HEK293 cells assessed as ability to antagonize U46619-mediated calcium ion mobilization
50017932	1	ChEMBL_364282 (CHEMBL868206)	Inhibition of U46619-induced platelet aggregation
50046031	9	ChEMBL_1498857 (CHEMBL3583831)	Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay
50046032	5	ChEMBL_1498897 (CHEMBL3584104)	Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis
50046033	1	ChEMBL_1499908 (CHEMBL3583502)	Inhibition of [125I]SDF-1alpha binding to CXCR7 (unknown origin) expressed in CHO cell membranes incubated for 1 hr by radioligand displacement assay
50046033	2	ChEMBL_1499909 (CHEMBL3583503)	Inhibition of [125I]SDF-1alpha binding to CXCR4 (unknown origin) expressed in HEK293 cell membranes incubated for 1 hr by radioligand displacement assay
50046033	3	ChEMBL_1499910 (CHEMBL3583504)	Agonist activity at CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as induction of receptor-mediated beta-arrestin recruitment by BRET assay
50046033	4	ChEMBL_1499911 (CHEMBL3583505)	Agonist activity at wild type CXCR7 (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as induction of receptor-mediated beta-arrestin recruitment by BRET assay
50046033	5	ChEMBL_1499912 (CHEMBL3583506)	Agonist activity at CXCR7 D179N mutant (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as induction of receptor-mediated beta-arrestin recruitment by BRET assay
50046033	6	ChEMBL_1499913 (CHEMBL3583507)	Agonist activity at CXCR7 S198R mutant (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as induction of receptor-mediated beta-arrestin recruitment by BRET assay
50046033	7	ChEMBL_1499914 (CHEMBL3583508)	Agonist activity at CXCR7 D275N mutant (unknown origin) expressed in HEK293E cells co-transfected with receptor-eYFP construct and beta-arrestin2-Rluc assessed as induction of receptor-mediated beta-arrestin recruitment by BRET assay
50046034	1	ChEMBL_1499917 (CHEMBL3583511)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis
50046034	2	ChEMBL_1499918 (CHEMBL3583512)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis
50017935	4	ChEMBL_364455 (CHEMBL862687)	Inhibition of MAO-A in human placental mitochondria
50017935	1	ChEMBL_364459 (CHEMBL862691)	Inhibition of MAO-B in rat brain mitochondria
50017935	2	ChEMBL_364458 (CHEMBL862690)	Inhibition of MAO-B in baboon liver mitochondria
50017935	3	ChEMBL_364457 (CHEMBL862689)	Inhibition of MAO-A in rat brain mitochondria
50017937	1	ChEMBL_390503 (CHEMBL869849)	Inhibition of cKit at 1 mM ATP by HTRF assay
50017937	3	ChEMBL_390501 (CHEMBL869847)	Inhibition of KDR at 1 mM ATP by HTRF assay
50017937	2	ChEMBL_390504 (CHEMBL869850)	Inhibition of KDR phosphorylation in NIH3T3 cells by ELISA
50017937	4	ChEMBL_390502 (CHEMBL869848)	Inhibition of FLT1 at 1 mM ATP by HTRF assay
50017937	5	ChEMBL_390506 (CHEMBL871024)	Inhibition of CYP3A4 in human liver microsome
50017937	6	ChEMBL_390505 (CHEMBL870451)	Inhibition of Tie2 at 1 mM ATP by HTRF assay
50017938	2	ChEMBL_390418 (CHEMBL869843)	Inhibition of human CA2
50017938	3	ChEMBL_390421 (CHEMBL869846)	Inhibition of human CA9
50017938	4	ChEMBL_390420 (CHEMBL869845)	Inhibition of human CA5a
50017938	1	ChEMBL_390419 (CHEMBL869844)	Inhibition of human CA4
50017939	6	ChEMBL_389278 (CHEMBL868029)	Inhibition of TCPTP
50017939	4	ChEMBL_389284 (CHEMBL868040)	Inhibition of PTP gamma
50017939	9	ChEMBL_389276 (CHEMBL868026)	Inhibition of PTP1B
50017939	3	ChEMBL_389285 (CHEMBL868041)	Inhibition of TCPTP38
50017939	1	ChEMBL_389283 (CHEMBL868039)	Inhibition of LAR2
50046034	3	ChEMBL_1499919 (CHEMBL3583513)	Displacement of [3H]-MRE3008F20 from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis
50017939	12	ChEMBL_389280 (CHEMBL868036)	Inhibition of HCPTPA
50017939	11	ChEMBL_389281 (CHEMBL868037)	Inhibition of HPTP epsilon
50017939	5	ChEMBL_389287 (CHEMBL868044)	Inhibition of CD45
50017939	7	ChEMBL_389286 (CHEMBL868043)	Inhibition of HPTP mu
50046034	4	ChEMBL_1499922 (CHEMBL3583614)	Displacement of [3H]-SCH58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis
50046034	5	ChEMBL_1499923 (CHEMBL3583615)	Displacement of [3H]-DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis
50046034	6	ChEMBL_1499924 (CHEMBL3583616)	Displacement of [3H]-MRE3008F20 from human recombinant adenosine A3 receptor expressed in HEK293 cells after 120 mins by scintillation counting analysis
50046035	1	ChEMBL_1500205 (CHEMBL3584879)	Inhibition of human recombinant CYP3A4 assessed as remaining enzyme activity by measuring conversion of luciferin-PPXE into D-luciferin by luminescence CYP3A4 P450-Glo assay relative to untreated control
50046036	1	ChEMBL_1498013 (CHEMBL3585074)	Displacement of FAM-labeled ZBA248 from BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50046036	2	ChEMBL_1498014 (CHEMBL3585075)	Displacement of FAM-labeled ZBA248 from BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50017939	10	ChEMBL_389279 (CHEMBL868035)	Inhibition HPTPA
50046036	3	ChEMBL_1498186 (CHEMBL3583406)	Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50046036	4	ChEMBL_1498187 (CHEMBL3583407)	Binding affinity to biotinylated BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	5	ChEMBL_1498188 (CHEMBL3583408)	Binding affinity to biotinylated BRD2 BD2 (349 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	6	ChEMBL_1498189 (CHEMBL3583409)	Binding affinity to biotinylated BRD3 BD1 (24 to 144 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	7	ChEMBL_1498190 (CHEMBL3583514)	Binding affinity to biotinylated BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50017941	1	ChEMBL_378873 (CHEMBL863601)	Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells
50046036	8	ChEMBL_1498191 (CHEMBL3583515)	Binding affinity to biotinylated BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50017941	3	ChEMBL_378872 (CHEMBL863600)	Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells
50046036	9	ChEMBL_1498192 (CHEMBL3583516)	Binding affinity to biotinylated BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	10	ChEMBL_1498193 (CHEMBL3583517)	Binding affinity to biotinylated CREBBP (1043 to 1159 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	11	ChEMBL_1498194 (CHEMBL3583518)	Binding affinity to biotinylated ATAD2A (981 to 1108 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	12	ChEMBL_1498195 (CHEMBL3583519)	Binding affinity to biotinylated ATAD2B (953 to 1086 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	13	ChEMBL_1498196 (CHEMBL3583520)	Binding affinity to biotinylated TRIM24 (790 to 972 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	14	ChEMBL_1498197 (CHEMBL3583521)	Binding affinity to biotinylated BAZ2B (2054 to 2168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometry method
50046036	15	ChEMBL_1498198 (CHEMBL3583522)	Binding affinity to biotinylated MLL1 (1566 to 1784 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method
50046036	16	ChEMBL_1498199 (CHEMBL3583523)	Binding affinity to biotinylated TAF1B2 (155 to 276 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method
50046036	17	ChEMBL_1498200 (CHEMBL3583524)	Binding affinity to biotinylated BRG1 (59 to 180 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method
50046036	18	ChEMBL_1498201 (CHEMBL3583525)	Binding affinity to biotinylated PB1BR5 (645 to 766 amino acid residues) (unknown origin) expressed in Rosetta2 cells by bio-layer interferometry method
50046036	19	ChEMBL_1498010 (CHEMBL3584939)	Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50046036	20	ChEMBL_1498011 (CHEMBL3584940)	Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50046036	21	ChEMBL_1498012 (CHEMBL3584941)	Displacement of FAM-labeled ZBA248 from BRD2 BD1 (72 to 205 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fluorescence polarization assay
50046037	1	ChEMBL_1500631 (CHEMBL3587761)	Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis
50046037	2	ChEMBL_1500630 (CHEMBL3587760)	Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis
50046038	1	ChEMBL_1500707 (CHEMBL3588057)	Inhibition of beta-D-glucuronidase (unknown origin) assessed as reduction in p-nitrophenol formation using p-nitrophenyl-beta-D-glucuronide substarte incubated at 37 degC for 30 mins by spectrophotometric method
50046039	1	ChEMBL_1500716 (CHEMBL3588066)	Inhibition of human cathepsin D
50046039	2	ChEMBL_1500715 (CHEMBL3588065)	Inhibition of human BACE2
50046039	3	ChEMBL_1500714 (CHEMBL3588064)	Inhibition of human BACE1 by mcaFRET assay
50046040	1	ChEMBL_1500854 (CHEMBL3588418)	Inhibition of recombinant EGFR (unknown origin) assessed as inhibition of autophosphorylation after 1 hr by DELFIA/Time-resolved fluorometry
50046041	1	ChEMBL_1500858 (CHEMBL3588422)	Inhibition of ERalpha (unknown origin) by fluorescence polarization-based competition binding assay
50017945	4	ChEMBL_389605 (CHEMBL868612)	Inhibition of Met
50017945	1	ChEMBL_389599 (CHEMBL868042)	Inhibition of AKT3 in presence of 0.2 uM ATP
50017945	7	ChEMBL_389601 (CHEMBL868046)	Inhibition of AKT2
50017945	13	ChEMBL_389618 (CHEMBL868629)	Inhibition of EGFR
50017945	6	ChEMBL_389600 (CHEMBL868045)	Inhibition of AKT1
50017945	8	ChEMBL_389610 (CHEMBL868621)	Inhibition of RAF1
50046042	1	ChEMBL_1500860 (CHEMBL3588424)	Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method
50017945	11	ChEMBL_389608 (CHEMBL868619)	Inhibition of ERK1
50017945	3	ChEMBL_389604 (CHEMBL868611)	Inhibition of Kit
50046042	2	ChEMBL_1500862 (CHEMBL3588426)	Inhibition of BChE (unknown origin) using butyrylthiocholine as substrate assessed as substrate hydrolysis by spectrophotometric/Ellman method
50046042	3	ChEMBL_1500865 (CHEMBL3588505)	Inhibition of human recombinant BACE1 by fluorescence resonance energy transfer (FRET) assay
50017947	1	ChEMBL_389196 (CHEMBL867991)	Inhibition of VEGF165-NRP1 interaction by ELISA
50046042	4	ChEMBL_1500866 (CHEMBL3588506)	Inhibition of AChE (unknown origin) by Dixon plot analysis
50046042	5	ChEMBL_1500867 (CHEMBL3588507)	Inhibition of BChE (unknown origin) by Dixon plot analysis
50046043	1	ChEMBL_1500868 (CHEMBL3588508)	Binding affinity to FLAP (unknown origin)
50046044	1	ChEMBL_1500871 (CHEMBL3588511)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50046044	2	ChEMBL_1500872 (CHEMBL3588512)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50046044	3	ChEMBL_1500873 (CHEMBL3588513)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
50046044	4	ChEMBL_1500874 (CHEMBL3588514)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
50017950	1	ChEMBL_379448 (CHEMBL863616)	Inhibition of beta amyloid protein 40 production
50017953	1	ChEMBL_394400 (CHEMBL855876)	Agonist activity at human recombinant ERalpha expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay
50017953	4	ChEMBL_394397 (CHEMBL855873)	Binding affinity to human recombinant ERalpha by scintillation proximity assay
50017953	3	ChEMBL_394398 (CHEMBL855874)	Binding affinity to human recombinant ERbeta by scintillation proximity assay
50017953	2	ChEMBL_394401 (CHEMBL855877)	Agonist activity at human recombinant ERbeta expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay
50046045	1	ChEMBL_1500938 (CHEMBL3586834)	Inverse agonist activity at human ROR-alpha1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay
50046045	2	ChEMBL_1500939 (CHEMBL3586897)	Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay
50046045	3	ChEMBL_1500940 (CHEMBL3586898)	Inverse agonist activity at human ROR-gamma1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay
50046046	1	ChEMBL_1500972 (CHEMBL3587049)	Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origami B(DE3) pre-incubated for 2 mins followed by alpha-ketoglutarate addition using dansylGlyProProGlyOEt substrate in Tris-HCl buffer at pH 7.8 at 30 degC by HPLC method
50046046	2	ChEMBL_1500973 (CHEMBL3587050)	Inhibition of human human recombinant CP4H1 expressed in Escherichia coli Origami B(DE3) pre-incubated for 2 mins followed by alpha-ketoglutarate addition using dansylGlyProProGlyOEt substrate in Tris-HCl buffer at pH 7.8 at 30 degC by HPLC based Cheng-Prussoff equation method
50046047	1	ChEMBL_1501038 (CHEMBL3587319)	Inhibition of electric eel AChE using acetylthiocholine as substrate assessed as concentration of 5-thio-2-nitrobenzoic acid ion formed by spectrophotometric/Ellman's method
50046048	1	ChEMBL_1501211 (CHEMBL3587779)	Inhibition of HDAC isolated from human H1299 cells using N-terminal biotinylated SGRGKGGKGLGKGGAKRHRKVLRD as substrate with [3H]-acetate at each lysine residue after 1.5 hrs by liquid scintillation counting analysis
50046049	1	ChEMBL_1501217 (CHEMBL3587785)	Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) transfected into HEK293 cells by microplate scintillation counting
50046050	1	ChEMBL_1501404 (CHEMBL3588433)	Displacement of [3H]-PGE2 from human EP4 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	2	ChEMBL_1501403 (CHEMBL3588432)	Displacement of [3H]-PGE2 from human EP1 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	3	ChEMBL_1501402 (CHEMBL3588431)	Displacement of [3H]-PGE2 from mouse EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	4	ChEMBL_1501400 (CHEMBL3588429)	Displacement of [3H]-PGE2 from rat EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	5	ChEMBL_1501401 (CHEMBL3588430)	Displacement of [3H]-PGE2 from human EP2 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	6	ChEMBL_1501406 (CHEMBL3588435)	Antagonist activity at human EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production
50017958	4	ChEMBL_404877 (CHEMBL869279)	Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cells
50017958	2	ChEMBL_404878 (CHEMBL869282)	Activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP production
50017959	1	ChEMBL_380404 (CHEMBL864903)	Inhibition of human Icmt by methanol vapour diffusion assay
50046050	7	ChEMBL_1501405 (CHEMBL3588434)	Displacement of [3H]-PGE2 from human EP3 receptor overexpressed in human ECV304 cell membranes by scintillation proximity assay
50046050	8	ChEMBL_1501408 (CHEMBL3588437)	Antagonist activity at mouse EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production
50046050	9	ChEMBL_1501407 (CHEMBL3588436)	Antagonist activity at rat EP2 receptor overexpressed in human ECV304 cells assessed as inhibition of prostaglandin E2-induced cAMP production
50046050	11	ChEMBL_1501423 (CHEMBL3588452)	Inhibition of human TP receptor assessed as LTD4-mediated intracellular calcium mobilization by call-based aequorin luminescence assay
50046051	1	ChEMBL_1501610 (CHEMBL3587362)	Inhibition of PI3K-alpha (unknown origin) by mobility shift assay
50017962	1	ChEMBL_381155 (CHEMBL867357)	Inhibition of Trypanosoma cruzi recombinant cruzain
50046051	2	ChEMBL_1501625 (CHEMBL3587377)	Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
50046051	3	ChEMBL_1501613 (CHEMBL3587365)	Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay
50046051	4	ChEMBL_1501656 (CHEMBL3587475)	Inhibition of human ERG
50017970	3	ChEMBL_388619 (CHEMBL865479)	Inhibition of ICE
50017970	2	ChEMBL_388620 (CHEMBL865480)	Inhibition of caspase8
50017970	1	ChEMBL_388621 (CHEMBL865481)	Inhibition of caspase3
50017971	1	ChEMBL_395467 (CHEMBL909221)	Displacement of [3H]Ro25-6981 from NR2B NMDA receptor in rat forebrain membrane
50046051	5	ChEMBL_1501609 (CHEMBL3587361)	Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis
50046051	6	ChEMBL_1501652 (CHEMBL3587471)	Inhibition of cFMS (unknown origin)
50017972	1	ChEMBL_395088 (CHEMBL869857)	Inhibition of [125I]MIP-1beta binding to CCR5 expressed in HEK293 cells
50017975	1	ChEMBL_405414 (CHEMBL866171)	Inhibition of testis ACE C domain
50017975	2	ChEMBL_405415 (CHEMBL866172)	Inhibition of somatic ACE N domain
50017976	1	ChEMBL_404788 (CHEMBL869275)	Inhibition of rat FAS
50046051	7	ChEMBL_1501651 (CHEMBL3587470)	Inhibition of Flt4 (unknown origin)
50046052	1	ChEMBL_1501659 (CHEMBL3587478)	Inhibition of human recombinant PTP1B using pNPP as substrate assessed as rate of hydrolysis incubated for 10 mins prior to substrate addition measured after 30 mins by microplate reader analysis
50017981	2	ChEMBL_405833 (CHEMBL869865)	Inhibition of recombinant ACE N domain
50017981	1	ChEMBL_405832 (CHEMBL869864)	Inhibition of rabbit testis recombinant ACE C domain
50017984	1	ChEMBL_405516 (CHEMBL869861)	Inhibition of [3H]dopamine uptake at dopamine transporter
50017986	1	ChEMBL_395401 (CHEMBL908066)	Displacement of [3H]citalopram from human SERT transfected in HEK293 cells
50017986	2	ChEMBL_395402 (CHEMBL908067)	Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells
50017986	4	ChEMBL_395400 (CHEMBL908065)	Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells
50017986	3	ChEMBL_395412 (CHEMBL909755)	Inhibition of (-)-[3H]NE uptake at NET
50017988	5	ChEMBL_368894 (CHEMBL864909)	Binding affinity to muscarinic M1R
50017988	4	ChEMBL_368881 (CHEMBL865555)	Binding affinity to chimeric rat/human MCH1R stably expressed in HEK293 cells
50017988	1	ChEMBL_368883 (CHEMBL865557)	Activity at chimeric rat/human MCH1R by accumulation of GTPgammaS
50017988	3	ChEMBL_368895 (CHEMBL864910)	Binding affinity to muscarinic M3R
50017988	2	ChEMBL_368899 (CHEMBL864914)	Affinity for human ERG channel by patch clamp assay
50017988	6	ChEMBL_368880 (CHEMBL865554)	Displacement of [3H]dofetilide from human ERG channel
50017989	2	ChEMBL_368823 (CHEMBL864918)	Displacement of [125I]galanin from human GAL3
50017989	1	ChEMBL_368832 (CHEMBL866813)	Binding affinity to human 5HT4
50017990	21	ChEMBL_368595 (CHEMBL866179)	Inhibition of Lck
50017990	27	ChEMBL_368576 (CHEMBL866820)	Inhibition of FLK1
50017990	26	ChEMBL_368575 (CHEMBL866819)	Inhibition of CDK2
50017990	3	ChEMBL_368577 (CHEMBL866821)	Inhibition of VEGFR1
50017990	14	ChEMBL_368633 (CHEMBL867451)	Inhibition of human ERG expressed in HEK293 cells
50017990	19	ChEMBL_368593 (CHEMBL866177)	Inhibition of Her1
50017990	16	ChEMBL_368588 (CHEMBL866836)	Inhibition of IGF1R
50017990	13	ChEMBL_368585 (CHEMBL866830)	Inhibition of Src
50017990	22	ChEMBL_368596 (CHEMBL866180)	Inhibition of Itk
50017990	18	ChEMBL_368592 (CHEMBL866176)	Inhibition of PKCzeta
50017990	20	ChEMBL_368594 (CHEMBL866178)	Inhibition of Her2
50017990	6	ChEMBL_368582 (CHEMBL866826)	Inhibition of MEK
50017990	2	ChEMBL_368578 (CHEMBL866822)	Inhibition of PDGFR beta
50017990	8	ChEMBL_368580 (CHEMBL866824)	Inhibition of FGFR1
50017990	17	ChEMBL_368591 (CHEMBL866175)	Inhibition of PKCdelta
50046053	26	ChEMBL_1501894 (CHEMBL3588234)	Binding affinity to human OX1 receptor expressed in CHO cell membranes by scintillation counting analysis
50017990	1	ChEMBL_368579 (CHEMBL866823)	Inhibition of c-kit
50017990	4	ChEMBL_368600 (CHEMBL866184)	Inhibition of MAPKAPK2
50046053	25	ChEMBL_1501664 (CHEMBL3587483)	Binding affinity to human OX1 receptor
50017990	11	ChEMBL_368587 (CHEMBL866835)	Inhibition of SRPK1
50017990	23	ChEMBL_368597 (CHEMBL866181)	Inhibition of Syk
50017990	24	ChEMBL_368598 (CHEMBL866182)	Inhibition of JAK3
50046053	22	ChEMBL_1501892 (CHEMBL3588150)	Displacement of [3H]EMPA from human OX2 receptor expressed in human PFSK-1 cells
50046053	20	ChEMBL_1501722 (CHEMBL3587702)	Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cells
50046053	28	ChEMBL_1501663 (CHEMBL3587482)	Binding affinity to human OX2 receptor
50046053	18	ChEMBL_1501896 (CHEMBL3588236)	Displacement of [125I]-orexin A from OX2 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysis
50046053	23	ChEMBL_1501895 (CHEMBL3588235)	Displacement of [125I]-orexin A from OX1 receptor (unknown origin) expressed in CHOK1 cells after 90 to 120 mins by scintillation counting analysis
50046053	14	ChEMBL_1501739 (CHEMBL3587719)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate by LC-MS/MS analysis
50046054	1	ChEMBL_1502123 (CHEMBL3586998)	Inhibition of Bacteroides fragilis CcrA overexpressed in Escherichia coli BL21 (DE3) using cefazolin as substrate incubated for 30 mins prior to testing by UV spectrophotometric analysis
50046054	2	ChEMBL_1502125 (CHEMBL3587107)	Inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mins prior to testing by UV spectrophotometric analysis
50046054	3	ChEMBL_1500319 (CHEMBL3588630)	Mixed-type inhibition of Stenotrophomonas maltophilia L1 overexpressed in Escherichia coli BL21 (DE3) using imipenem as substrate incubated for 30 mins prior to testing by Lineweaver-Burk plot analysis
50017992	1	ChEMBL_368413 (CHEMBL870503)	Inhibition of PTP1B by pNPP assay
50046055	1	ChEMBL_1500328 (CHEMBL3588639)	Inhibition of recombinant N-terminal GST-tagged full length human IRAK4 expressed in baculovirus-infected insect Sf9 cells using 5FAM-RKRQGSVRRRVH-COOH as substrate assessed as substrate phosphorylation after 30 mins by immobilized metal ion affinity-based fluorescence polarization assay
50046055	2	ChEMBL_1500343 (CHEMBL3588654)	Inhibition of IRAK4 in human THP1-XBlue cells assessed as suppression of TLR4 agonist LPS-induced activation of NF-kappaB preincubated for 1 hr followed by LPS challenge measured after 5 hrs by secreted embryonic alkaline phosphatase reporter gene assay
50046056	1	ChEMBL_1500545 (CHEMBL3587521)	Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay
50046056	2	ChEMBL_1500546 (CHEMBL3587522)	Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
50046056	3	ChEMBL_1500547 (CHEMBL3587523)	Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
50046056	4	ChEMBL_1501970 (CHEMBL3588377)	Inhibition of recombinant human cFMS
50046056	5	ChEMBL_1501971 (CHEMBL3588378)	Inhibition of human DNA PK
50017997	6	ChEMBL_367673 (CHEMBL871583)	Inhibition of human PI3Kalpha
50017997	5	ChEMBL_367672 (CHEMBL871582)	Inhibition of human PI3Kgamma
50017997	1	ChEMBL_367758 (CHEMBL862846)	Inhibition of human MKK7beta
50017997	4	ChEMBL_367675 (CHEMBL871586)	Inhibition of human PI3Kbeta
50017997	3	ChEMBL_367676 (CHEMBL871588)	Inhibition of human PI3Kdelta
50046056	6	ChEMBL_1501972 (CHEMBL3588379)	Inhibition of PI3Kalpha (unknown origin)
50046056	7	ChEMBL_1501974 (CHEMBL3588381)	Inhibition of ATM (unknown origin)
50046056	8	ChEMBL_1501981 (CHEMBL3588388)	Inhibition of human ERG
50046056	9	ChEMBL_1501983 (CHEMBL3588390)	Inhibition of PDE3 (unknown origin)
50046057	1	ChEMBL_1501999 (CHEMBL3588483)	Inhibition of human recombinant AChE by spectrophotometric Ellman's method
50017998	2	ChEMBL_367603 (CHEMBL864097)	Agonist activity at TSHR expressed in HEK293 EM cells measured by intracellular cAMP accumulation
50046057	2	ChEMBL_1502001 (CHEMBL3588485)	Inhibition of human serum BuChE by spectrophotometric Ellman's method
50046057	3	ChEMBL_1501992 (CHEMBL3588476)	Inhibition of equine serum BuChE by spectrophotometric Ellman's method
50018001	5	ChEMBL_367224 (CHEMBL864123)	Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain membranes
50018001	1	ChEMBL_367222 (CHEMBL862969)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50018001	6	ChEMBL_367218 (CHEMBL865349)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50018001	3	ChEMBL_367230 (CHEMBL867251)	Antagonist activity against Cl-IB-MECA inhibited cAMP level in CHO cells transfected with human A3 receptor
50018001	7	ChEMBL_367226 (CHEMBL864191)	Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal membranes
50018001	2	ChEMBL_367220 (CHEMBL862970)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50018001	4	ChEMBL_367228 (CHEMBL865365)	Inhibition of NECA-stimulated cAMP level in CHO cells transfected with human adenosine A2B receptor
50018002	1	ChEMBL_367108 (CHEMBL863672)	Inhibition of porcein kidney m calpain
50018002	2	ChEMBL_367107 (CHEMBL863671)	Inhibition of human erythrocyte mu calpain
50046057	4	ChEMBL_1501994 (CHEMBL3588478)	Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay
50046057	5	ChEMBL_1501986 (CHEMBL3588470)	Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay
50046057	6	ChEMBL_1501988 (CHEMBL3588472)	Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay
50046057	7	ChEMBL_1502006 (CHEMBL3588490)	Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot
50046057	8	ChEMBL_1501990 (CHEMBL3588474)	Inhibition of electric eel AChE by spectrophotometric Ellman's method
50046057	9	ChEMBL_1501996 (CHEMBL3588480)	Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay
50046059	1	ChEMBL_1500371 (CHEMBL3587004)	Inhibition of human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay
50018005	1	ChEMBL_366875 (CHEMBL866038)	Activation of mouse RNase L assessed as ability to cleave 5'-[32P]r(C11U2C7)
50046059	2	ChEMBL_1500372 (CHEMBL3587005)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli by oxyhemoglobin NO assay
50018008	1	ChEMBL_366702 (CHEMBL865953)	Inhibition of human BHMT
50046059	3	ChEMBL_1500373 (CHEMBL3587006)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli by oxyhemoglobin NO assay
50046059	4	ChEMBL_1500370 (CHEMBL3587003)	Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay
50024969	1	ChEMBL_525038 (CHEMBL978329)	Inhibition of ovine COX1
50024969	2	ChEMBL_525039 (CHEMBL978330)	Inhibition of human recombinant COX2
50024974	1	ChEMBL_525304 (CHEMBL968093)	Displacement of [125]OXY from mu opioid receptor
50046060	1	ChEMBL_1500415 (CHEMBL3587146)	Inhibition of PI3Kdelta in human THP1 cells assessed as inhibition of CSF1-stimulated chemotaxis pre-incubated for 1 hr before MCP1 stimulation
50046060	2	ChEMBL_1500414 (CHEMBL3587145)	Inhibition of PI3Kbeta in human THP1 cells assessed as inhibition of CSF1-stimulated chemotaxis pre-incubated for 1 hr before MCP1 stimulation
50046060	3	ChEMBL_1500413 (CHEMBL3587144)	Inhibition of PI3Kalpha in human THP1 cells assessed as inhibition of CSF1-stimulated chemotaxis pre-incubated for 1 hr before MCP1 stimulation
50046060	4	ChEMBL_1500412 (CHEMBL3587045)	Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-stimulated chemotaxis pre-incubated for 1 hr before MCP1 stimulation
50046060	5	ChEMBL_1500408 (CHEMBL3587041)	Inhibition of TRKA (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50046060	6	ChEMBL_1500407 (CHEMBL3587040)	Inhibition of SRC (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50046060	7	ChEMBL_1500406 (CHEMBL3587039)	Inhibition of c-KIT (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50046060	8	ChEMBL_1500405 (CHEMBL3587038)	Inhibition of KDR (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50024974	2	ChEMBL_525306 (CHEMBL968095)	Displacement of [125]OXY from kappa opioid receptor
50046060	9	ChEMBL_1500404 (CHEMBL3587037)	Inhibition of GSK3beta (unknown origin) using ATP and GSM peptide substrate by radiometric peptide assay
50024978	1	ChEMBL_525683 (CHEMBL977538)	Inhibition of bovine MAO-A by fluorimetric method
50024978	2	ChEMBL_525684 (CHEMBL977539)	Inhibition of bovine MAO-B by fluorimetric method
50018012	3	ChEMBL_393413 (CHEMBL913196)	Binding affinity to thrombin
50018012	4	ChEMBL_393412 (CHEMBL913195)	Binding affinity to f10a
50018012	1	ChEMBL_393411 (CHEMBL913194)	Binding affinity to f7a/TF complex
50046060	10	ChEMBL_1500403 (CHEMBL3587036)	Inhibition of JAK2 (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50018015	1	ChEMBL_395199 (CHEMBL908643)	Blockade of Kv1.5 channel expressed in LTK cells by patch clamp method
50018017	1	ChEMBL_391451 (CHEMBL870480)	Inhibition of 17beta-HSD3
50018018	1	ChEMBL_393996 (CHEMBL854665)	Activity at PPARalpha by luciferase reporter gene transactivation assay in COS7 cells
50018018	2	ChEMBL_393995 (CHEMBL854664)	Activity at PPARbeta/delta by luciferase reporter gene transactivation assay in COS7 cells
50018018	3	ChEMBL_393997 (CHEMBL854666)	Activity at PPARgamma by luciferase reporter gene transactivation assay in COS7 cells
50046060	11	ChEMBL_1500402 (CHEMBL3587035)	Inhibition of FLT3 (unknown origin) using ATP and polyE4Y substrate by radiometric assay
50046060	12	ChEMBL_1500401 (CHEMBL3587034)	Inhibition of DNAPK (unknown origin) using ATP and PPLSQEAFADLWKKK substrate by radiometric peptide assay
50046060	13	ChEMBL_1500395 (CHEMBL3587028)	Inhibition of PI3Kgamma (unknown origin) using [33P]ATP and PIP2 incubated for 15 mins by liquid scintillation counting method
50018021	1	ChEMBL_394938 (CHEMBL908048)	Displacement of cy3B-GM from Hsp90alpha
50018022	3	ChEMBL_391269 (CHEMBL870465)	Inhibition of cytochrome P450 1A2
50018022	5	ChEMBL_391268 (CHEMBL870464)	Inhibition of cytochrome P450 3A4
50018022	4	ChEMBL_391267 (CHEMBL870463)	Inhibition of cytochrome P450 2D6
50018022	1	ChEMBL_391265 (CHEMBL870461)	Inhibition of cytochrome P450 2C9
50018022	2	ChEMBL_391266 (CHEMBL870462)	Inhibition of cytochrome P450 2C19
50018023	2	ChEMBL_391094 (CHEMBL869874)	Inhibition of COX2
50018024	1	ChEMBL_401654 (CHEMBL856356)	Inhibition of EGFR
50046061	1	ChEMBL_1500419 (CHEMBL3587150)	Inhibition of wild type human SERT expressed in HEK293 GripTite cells pre-incubated for 5 mins followed by [3H]5-HT addition by [3H]5-HT uptake assay
50046062	16	ChEMBL_1500552 (CHEMBL3587528)	Binding affinity to 6-His-Thr BRD3 (1 to 435) BD1 (unknown origin) harboring BD2 Y348A mutant
50046062	22	ChEMBL_1500555 (CHEMBL3587531)	Binding affinity to 6-His-FLAG-Tev-BRDT BD2 (1 to 397) (unknown origin) harboring BD1 Y66A mutant
50046062	18	ChEMBL_1500427 (CHEMBL3587158)	Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis
50046062	20	ChEMBL_1500429 (CHEMBL3587160)	Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50046062	19	ChEMBL_1500426 (CHEMBL3587157)	Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by TR-FRET analysis
50046063	1	ChEMBL_1501095 (CHEMBL3587443)	Activity at full length human PPARgamma transfected in CV1 cells assessed as transactivation activity after 24 hrs by PPRE-TK- luciferase reporter gene assay
50018028	1	ChEMBL_393314 (CHEMBL911524)	Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells
50018028	2	ChEMBL_393313 (CHEMBL911523)	Displacement of [3H]SCH 23390 from dopamine D1 receptor expressed in CHO cells
50018033	4	ChEMBL_391342 (CHEMBL870479)	Binding affinity at dopamine D5 receptor
50018033	1	ChEMBL_391331 (CHEMBL870467)	Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells
50018033	2	ChEMBL_391332 (CHEMBL870468)	Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells
50018033	7	ChEMBL_391338 (CHEMBL870474)	Binding affinity at dopamine D2 receptor
50018033	5	ChEMBL_391339 (CHEMBL870475)	Binding affinity at 5HT2A receptor
50018033	6	ChEMBL_391337 (CHEMBL870473)	Binding affinity at dopamine D4 receptor
50018033	3	ChEMBL_391340 (CHEMBL870476)	Binding affinity at adrenergic alpha2A receptor
50018034	6	ChEMBL_406112 (CHEMBL912699)	Antagonist activity at rat mGluR5 expressed in 1321N1 cells
50018034	7	ChEMBL_406099 (CHEMBL913252)	Antagonist activity at human mGluR4 expressed in 1321N1 cells
50046063	2	ChEMBL_1501030 (CHEMBL3587211)	Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay
50018034	2	ChEMBL_406101 (CHEMBL913254)	Antagonist activity at human mGluR7 expressed in 1321N1 cells
50018034	1	ChEMBL_406111 (CHEMBL912698)	Antagonist activity at rat mGluR1 expressed in 1321N1 cells
50018034	3	ChEMBL_406098 (CHEMBL913251)	Antagonist activity at human mGluR2 expressed in 1321N1 cells
50018034	5	ChEMBL_406100 (CHEMBL913253)	Antagonist activity at human mGluR5 expressed in 1321N1 cells
50018035	2	ChEMBL_400481 (CHEMBL912681)	Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay
50018035	1	ChEMBL_400479 (CHEMBL912679)	Inhibition of human cloned CA1 by CO2 hydration assay
50018035	4	ChEMBL_400482 (CHEMBL912682)	Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay
50018035	3	ChEMBL_400480 (CHEMBL912680)	Inhibition of human cloned CA2 by CO2 hydration assay
50018037	2	ChEMBL_405654 (CHEMBL869867)	Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells
50018037	3	ChEMBL_405657 (CHEMBL869870)	Inhibition of CYP2D6
50018037	4	ChEMBL_405656 (CHEMBL869869)	Inhibition of HERG potassium channel expressed in HEK cells by whole cell patch clamp method
50018037	1	ChEMBL_405655 (CHEMBL869868)	Antagonist activity against human MCHR1 expressed in CHO cells assessed by inhibition of MCH-stimulated G protein-GTP-gamma-[35S] binding
50046063	3	ChEMBL_1501028 (CHEMBL3587209)	Activity at human PPARgamma transfected in HEK293 cells assessed as transactivation activity by luciferase reporter gene assay
50046063	4	ChEMBL_1501035 (CHEMBL3587216)	Activity at full length PPARgamma (unknown origin) transfected in 293T cells assessed as transactivation activity by UAS-luciferase reporter gene assay
50046064	1	ChEMBL_1501102 (CHEMBL3587450)	Inhibition of human recombinant GST-tagged PI3Kgamma incubated for 180 mins using [33P]gamma-ATP by scintillation proximity assay
50046064	2	ChEMBL_1501101 (CHEMBL3587449)	Inhibition of aldose reductase (unknown origin)
50046064	3	ChEMBL_1501100 (CHEMBL3587448)	Inhibition of GST-tagged PTP1B (unknown origin) by pNPP catalysis based colorimetric high throughput assay
50046064	4	ChEMBL_1501099 (CHEMBL3587447)	Agonist activity at PPARgamma (unknown origin)
50018040	1	ChEMBL_403699 (CHEMBL869264)	Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte
50046065	7	ChEMBL_1501105 (CHEMBL3587453)	Inhibition of N-terminal His-tagged human p110alpha expressed in Sf9 cells co-expressing p85alpha regulatory subunit using phosphatidylinositol substrate and [gamma-33P]-ATP by basic thin layer chromatography technique based lipid kinase assay
50018040	4	ChEMBL_403701 (CHEMBL868098)	Inhibition of ovine COX1
50018040	3	ChEMBL_403702 (CHEMBL868099)	Inhibition of ovine COX2
50046065	9	ChEMBL_1501106 (CHEMBL3587454)	Inhibition of N-terminal His-tagged human p110beta expressed in Sf9 cells co-expressing p85alpha regulatory subunit using phosphatidylinositol substrate and [gamma-33P]-ATP by basic thin layer chromatography technique based lipid kinase assay
50018042	2	ChEMBL_405016 (CHEMBL869284)	Binding affinity to human recombinant ERbeta by scintillation proximity assay
50018042	1	ChEMBL_405015 (CHEMBL868058)	Binding affinity to human recombinant ERalpha by scintillation proximity assay
50046065	8	ChEMBL_1501107 (CHEMBL3587455)	Inhibition of N-terminal His-tagged human p110delta expressed in Sf9 cells co-expressing p85alpha regulatory subunit using phosphatidylinositol substrate and [gamma-33P]-ATP by basic thin layer chromatography technique based lipid kinase assay
50018046	1	ChEMBL_375433 (CHEMBL864146)	Inhibition of malonyl-coenzyme A decarboxylase
50018049	2	ChEMBL_375257 (CHEMBL867484)	Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells
50018049	4	ChEMBL_375255 (CHEMBL866293)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells
50018049	3	ChEMBL_375254 (CHEMBL868105)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50018049	1	ChEMBL_375256 (CHEMBL867483)	Displacement of [3H]MRE 2029F20 from human adenosine A2B receptor expressed in CHO cells
50018050	1	ChEMBL_375179 (CHEMBL868533)	Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay
50046070	5	ChEMBL_1501266 (CHEMBL3587908)	Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by microplate reader analysis
50046070	7	ChEMBL_1501267 (CHEMBL3587976)	Mixed-competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk/Dixon plot analysis
50046070	8	ChEMBL_1501269 (CHEMBL3587978)	Competitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk/Dixon plot analysis
50046070	6	ChEMBL_1501268 (CHEMBL3587977)	Uncompetitive inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk/Dixon plot analysis
50046071	2	ChEMBL_1501351 (CHEMBL3588215)	Binding affinity to ERRgamma (unknown origin) at 20 degC by isothermal titration calorimetry
50046072	4	ChEMBL_1501456 (CHEMBL3588562)	Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis
50046072	3	ChEMBL_1501457 (CHEMBL3588563)	Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis
50046073	7	ChEMBL_1501466 (CHEMBL3588572)	Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method
50046073	8	ChEMBL_1501465 (CHEMBL3588571)	Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method
50046073	5	ChEMBL_1501464 (CHEMBL3588570)	Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method
50046073	6	ChEMBL_1501463 (CHEMBL3588569)	Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method
50018053	4	ChEMBL_373754 (CHEMBL870293)	Inhibition of CYP450 2D6 transfected in human microsome using DEF fluorogenic substrate
50018053	6	ChEMBL_373748 (CHEMBL870969)	Agonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assay
50018053	2	ChEMBL_373752 (CHEMBL870973)	Inhibition of CYP450 3A4 transfected in human microsome using DEF fluorogenic substrate
50018053	7	ChEMBL_373749 (CHEMBL870970)	Inhibition of CYP450 1A2 transfected in human microsome
50018053	1	ChEMBL_373751 (CHEMBL870972)	Inhibition of CYP450 2C19 transfected in human microsome
50018053	3	ChEMBL_373753 (CHEMBL870292)	Inhibition of CYP450 3A4 transfected in human microsome using PPR fluorogenic substrate
50018053	5	ChEMBL_373750 (CHEMBL870971)	Inhibition of CYP450 2C9 transfected in human microsome
50046074	3	ChEMBL_1501468 (CHEMBL3588574)	Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 fluorogenic substrate assessed as fluorescent product release
50046074	4	ChEMBL_1501467 (CHEMBL3588573)	Inhibition of human active MMP2 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 fluorogenic substrate assessed as fluorescent product release
50046075	4	ChEMBL_1501471 (CHEMBL3588577)	Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis
50046075	6	ChEMBL_1501472 (CHEMBL3588578)	Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method
50046075	5	ChEMBL_1501470 (CHEMBL3588576)	Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis
50018058	1	ChEMBL_372239 (CHEMBL853393)	Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex
50018058	2	ChEMBL_372238 (CHEMBL853391)	Inhibition of SERT-mediated [3H]5-HT uptake in rat cerebral cortex
50046076	2	ChEMBL_1501476 (CHEMBL3586838)	Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric method
50046077	3	ChEMBL_1501477 (CHEMBL3586839)	Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method
50046077	4	ChEMBL_1501478 (CHEMBL3586840)	Inhibition of bovine brain mitochondria MAO-B using benzylamine substrate after 60 mins by fluorimetric method
50018061	2	ChEMBL_371428 (CHEMBL871425)	Activity at rat 5HT2A receptor assessed as 5-HT-stimulated IP3 accumulation
50018061	3	ChEMBL_371426 (CHEMBL871423)	Displacement of [125I]DOI from rat 5HT2A receptor
50018061	1	ChEMBL_371427 (CHEMBL871424)	Displacement of [125I]DOI from rat 5HT2C receptor
50018062	2	ChEMBL_370529 (CHEMBL871420)	Displacement of [14C]Gly-Sar from rat PEPT2 in SKPT0193 C1.2 cells
50018062	1	ChEMBL_370530 (CHEMBL871421)	Displacement of [14C]Gly-Sar from human PEPT1 in Caco-2 cells
50046078	1	ChEMBL_1501861 (CHEMBL3588048)	Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase reporter gene assay
50046079	1	ChEMBL_1502024 (CHEMBL3588583)	Binding affinity to human OX1R by radioligand displacement binding assay
50046079	2	ChEMBL_1502023 (CHEMBL3588582)	Binding affinity to human OX2R by radioligand displacement binding assay
50018067	11	ChEMBL_369243 (CHEMBL864797)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50018067	12	ChEMBL_369241 (CHEMBL864795)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes
50018067	10	ChEMBL_369242 (CHEMBL864796)	Displacement of [3H]R-PIA from adenosine A1 receptor in rat brain cortical membranes
50018067	8	ChEMBL_369244 (CHEMBL864798)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes
50018067	7	ChEMBL_369247 (CHEMBL864165)	Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cells
50018067	6	ChEMBL_369252 (CHEMBL864170)	Displacement of [125I]AB-MECA from sheep adenosine A3 receptor
50018067	3	ChEMBL_369250 (CHEMBL864168)	Displacement of [3H]PSB11 from human recombinant adenosine A3 receptor expressed in CHO cells
50018067	2	ChEMBL_369248 (CHEMBL864166)	Displacement of [125I]ABOPX from human recombinant adenosine A2B receptor expressed in CHO cells
50018067	9	ChEMBL_369245 (CHEMBL864799)	Displacement of [3H]R-PIA from adenosine A2A receptor in rat brain striatal membranes
50018067	1	ChEMBL_369249 (CHEMBL864167)	Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in CHO cells
50018067	5	ChEMBL_369246 (CHEMBL864800)	Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells
50018067	4	ChEMBL_369251 (CHEMBL864169)	Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells
50018069	3	ChEMBL_369150 (CHEMBL862877)	Inhibition of dog NEP
50018069	5	ChEMBL_369156 (CHEMBL862883)	Inhibition of dog ACE
50018069	6	ChEMBL_369159 (CHEMBL862886)	Inhibition of rat NEP
50018069	4	ChEMBL_369157 (CHEMBL862884)	Inhibition of human ECE1
50018069	2	ChEMBL_369160 (CHEMBL861732)	Inhibition of rabbit NEP
50018069	7	ChEMBL_369158 (CHEMBL862885)	Inhibition of human NEP
50018069	1	ChEMBL_369161 (CHEMBL861733)	Inhibition of human recombinant NEP
50018070	1	ChEMBL_369007 (CHEMBL870289)	Inhibition of CYP2D6
50018070	3	ChEMBL_369002 (CHEMBL870261)	Inhibition of alpha-1-beta-1-gamma-delta nAChR expressed in TE671cells by FLIPR assay
50018070	5	ChEMBL_369000 (CHEMBL870923)	Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay
50018070	2	ChEMBL_368999 (CHEMBL870920)	Binding affinity to 5HT3 receptor
50018070	6	ChEMBL_369001 (CHEMBL870255)	Inhibition of alpha-3-beta-4 nAChR expressed in SHSY5Y cells by FLIPR assay
50018070	4	ChEMBL_368997 (CHEMBL869740)	Displacement of [3H]MLA from alpha-7 nAChR in Sprague-Dawley rat brain homogenates
50046079	3	ChEMBL_1502030 (CHEMBL3588589)	Inhibition of human ERG
50046079	4	ChEMBL_1502032 (CHEMBL3588591)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS analysis
50046079	5	ChEMBL_1502033 (CHEMBL3588592)	Inhibition of CYP2C8 in human liver microsomes using rosiglitazone as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS analysis
50046079	6	ChEMBL_1502034 (CHEMBL3588593)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS analysis
50046079	7	ChEMBL_1502035 (CHEMBL3588594)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS analysis
50046079	8	ChEMBL_1502036 (CHEMBL3588595)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as susbtrate incubated for 30 mins prior to substrate addition for 10 mins by LC-MS/MS analysis
50046079	9	ChEMBL_1502038 (CHEMBL3588597)	Binding affinity to human OX2R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay
50046079	10	ChEMBL_1502039 (CHEMBL3588598)	Binding affinity to human OX1R expressed in HEK-293 cells assessed as inhibition of orexin A-induced calcium accumulation by FLIPR assay
50046080	1	ChEMBL_1500254 (CHEMBL3588678)	Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
50018074	1	ChEMBL_405761 (CHEMBL869873)	Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells
50018075	1	ChEMBL_398818 (CHEMBL908038)	Binding affinity to human MCHR1
50046080	2	ChEMBL_1500255 (CHEMBL3588679)	Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
50046080	3	ChEMBL_1500256 (CHEMBL3588680)	Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence release assay
50018079	1	ChEMBL_397859 (CHEMBL856320)	Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells
50018079	3	ChEMBL_397862 (CHEMBL856323)	Displacement of [125I]NDP-MSH from human MC5R stably expressed in HEK293 cells
50046081	2	ChEMBL_1500300 (CHEMBL3588724)	Binding affinity to ghrelin receptor (unknown origin)
50018079	5	ChEMBL_397860 (CHEMBL856321)	Displacement of [125I]NDP-MSH from human MC1R stably expressed in HEK293 cells
50018081	1	ChEMBL_400681 (CHEMBL855267)	Inhibition of Escherichia coli MetRS assessed as decrease in [35S]methionyl tRNAMet production by SPA
50018082	1	ChEMBL_401364 (CHEMBL854222)	Binding affinity to PAR1 in human platelet membrane
50018085	4	ChEMBL_400287 (CHEMBL912659)	Activity at rat mGluR2 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	7	ChEMBL_400290 (CHEMBL912663)	Activity at rat mGluR6 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	1	ChEMBL_400288 (CHEMBL912661)	Activity at rat mGluR4 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	6	ChEMBL_400291 (CHEMBL912664)	Activity at rat mGluR7 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	5	ChEMBL_400292 (CHEMBL912665)	Activity at rat mGluR8 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	2	ChEMBL_400289 (CHEMBL912662)	Activity at rat mGluR5 receptor measured as intracellular calcium concentration in HEK293 cells
50018085	3	ChEMBL_400286 (CHEMBL913220)	Activity at rat mGluR1 receptor measured as intracellular calcium concentration in HEK293 cells
50018086	1	ChEMBL_401402 (CHEMBL855303)	Displacement of [3H]DAMGO from rat mu opioid receptor
50046081	3	ChEMBL_1500294 (CHEMBL3588718)	Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay
50018086	3	ChEMBL_401405 (CHEMBL870427)	Activity at mu opioid receptor by GPI/LMMP assay
50018086	4	ChEMBL_401406 (CHEMBL870425)	Activity at delta opioid receptor by MVD assay
50018088	1	ChEMBL_395310 (CHEMBL870413)	Displacement of [125I]SP from human cloned NK1 receptor expressed in CHO cells
50046083	1	ChEMBL_1502709 (CHEMBL3590705)	Inhibition of phosphorylated NPM1 recruitment to chromatic in 6 Gy irradiated human A549 cells assessed as increase in protein solubility as extraction of pT199NPM1 pretreated 30 mins and measured after 90 mins of irradiation by Western blot analysis
50046083	2	ChEMBL_1502715 (CHEMBL3590711)	Inhibition of phosphorylated NPM1 recruitment to chromatic in 6 Gy irradiated human A549 cells assessed as extraction of pT199NPM1 pretreated 30 mins and measured after 90 mins of irradiation by Western blot analysis in presence of high NP-40 lysis buffer
50046084	1	ChEMBL_1503676 (CHEMBL3592237)	Inhibition of CYP19 (unknown origin) using O-benzyl fluorescein benzyl ester substrate preincubated for 10 mins by fluorimetric analysis relative to control
50018090	1	ChEMBL_397647 (CHEMBL856303)	Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay
50018091	1	ChEMBL_400374 (CHEMBL912672)	Agonist activity at rat PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation
50018091	3	ChEMBL_400373 (CHEMBL912671)	Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation
50018091	2	ChEMBL_400375 (CHEMBL912673)	Displacement of [3H]iloprost from cloned human PGI2 receptor
50046085	1	ChEMBL_1503733 (CHEMBL3592513)	Antagonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay
50046085	2	ChEMBL_1503730 (CHEMBL3592510)	Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay
50018095	5	ChEMBL_397086 (CHEMBL864263)	Inhibition of CYP450 2C19
50018095	3	ChEMBL_397088 (CHEMBL864265)	Inhibition of CYP450 3A4
50018095	2	ChEMBL_397087 (CHEMBL864264)	Inhibition of CYP450 2D6
50018095	1	ChEMBL_397084 (CHEMBL864261)	Inhibition of CYP450 1A2
50018095	4	ChEMBL_397085 (CHEMBL864262)	Inhibition of CYP450 2C9
50018097	3	ChEMBL_397956 (CHEMBL856332)	Inhibition of DPP4
50018097	1	ChEMBL_397958 (CHEMBL856335)	Inhibition of DPP8
50018097	2	ChEMBL_397957 (CHEMBL856334)	Inhibition of DPP2
50018098	1	ChEMBL_399082 (CHEMBL909200)	Activity at 5HT2B receptor expressed in CHO cell assessed as inhibition of alpha-methyl-5HT-stimulated calcium release
50046086	1	ChEMBL_1503762 (CHEMBL3592643)	Displacement of [3H]-5-CT from 5-HT7 receptor in rat hypothalamic membrane by liquid scintillation analysis
50046086	2	ChEMBL_1503761 (CHEMBL3592642)	Displacement of [3H]ketanserin from 5-HT2A receptor in rat cortical membrane by liquid scintillation analysis
50046086	3	ChEMBL_1503760 (CHEMBL3592540)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membrane by liquid scintillation analysis
50046086	4	ChEMBL_1503759 (CHEMBL3592539)	Displacement of [3H]spiperone from D2 receptor in rat striatum by liquid scintillation counting analysis
50046087	1	ChEMBL_1503898 (CHEMBL3593131)	Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay
50046087	2	ChEMBL_1503899 (CHEMBL3593132)	Inhibition of human recombinant wild type galectin 3 first carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor assay
50046087	3	ChEMBL_1503900 (CHEMBL3593133)	Inhibition of human recombinant wild type galectin 3 second carbohydrate recognition domain after 60 mins by surface plasmon resonance immunosensor assay
50046088	1	ChEMBL_1503903 (CHEMBL3593136)	Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM VTI imaging analysis
50046088	2	ChEMBL_1503902 (CHEMBL3593135)	Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by RapidFire Mass Spectrometry in presence of ATP at higher concentration
50046088	3	ChEMBL_1503901 (CHEMBL3593134)	Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by RapidFire Mass Spectrometry in presence of ATP at Km concentration
50018101	2	ChEMBL_366813 (CHEMBL865390)	Inhibition of [125I](Leu8,DTrp22,Tyr25)-SRIF28 binding to human sst2
50018101	3	ChEMBL_366814 (CHEMBL865391)	Inhibition of [125I](Leu8,DTrp22,Tyr25)-SRIF28 binding to human sst3
50018101	4	ChEMBL_366815 (CHEMBL865392)	Inhibition of [125I](Leu8,DTrp22,Tyr25)-SRIF28 binding to human sst4
50018101	5	ChEMBL_366816 (CHEMBL865393)	Inhibition of [125I](Leu8,DTrp22,Tyr25)-SRIF28 binding to human sst5
50018101	1	ChEMBL_366812 (CHEMBL865389)	Inhibition of [125I](Leu8,DTrp22,Tyr25)-SRIF28 binding to human sst1
50046088	4	ChEMBL_1503906 (CHEMBL3593139)	Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence of ATP at Km concentration
50018103	2	ChEMBL_366428 (CHEMBL871381)	Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells at 10 nM
50018103	4	ChEMBL_366426 (CHEMBL871379)	Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells at 300 nM
50018103	6	ChEMBL_366425 (CHEMBL871378)	Displacement of [3H]Histamine from human histamine H4 receptor transfected in SK-N-MC cells at 100 nM
50018103	5	ChEMBL_366416 (CHEMBL853360)	Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells
50018103	1	ChEMBL_366429 (CHEMBL871382)	Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells at 30 nM
50018103	3	ChEMBL_366427 (CHEMBL871380)	Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells at 1 uM
50046089	1	ChEMBL_1504094 (CHEMBL3591468)	Inhibition of recombinant human PI3Kalpha using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by Kinase-Glo plus assay
50046089	2	ChEMBL_1504095 (CHEMBL3591469)	Inhibition of recombinant human PI3Kbeta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by Kinase-Glo plus assay
50046089	3	ChEMBL_1504097 (CHEMBL3591471)	Inhibition of PI3Kalpha in human BT474 cells assessed as inhibition of Akt phosphorylation at Tyr-308 after 2 hrs by ELISA
50046089	4	ChEMBL_1504096 (CHEMBL3591470)	Inhibition of KDR (unknown origin)
50046089	5	ChEMBL_1504098 (CHEMBL3591472)	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as inhibition of Akt phosphorylation at Ser-473 after 2 hrs by ELISA
50046089	6	ChEMBL_1504209 (CHEMBL3591969)	Inhibition of recombinant human PI3Kgamma using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by Kinase-Glo plus assay
50046089	7	ChEMBL_1504210 (CHEMBL3591970)	Inhibition of recombinant human PI3Kdelta using PIP2/ATP as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by Kinase-Glo plus assay
50046089	8	ChEMBL_1504211 (CHEMBL3591971)	Inhibition of m-TOR (unknown origin)
50046090	1	ChEMBL_1504216 (CHEMBL3591976)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholineidioide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method
50046090	2	ChEMBL_1504215 (CHEMBL3591975)	Uncompetitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method
50046090	3	ChEMBL_1504214 (CHEMBL3591974)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method
50046090	4	ChEMBL_1504213 (CHEMBL3591973)	Competitive Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method
50046091	1	ChEMBL_1504365 (CHEMBL3592702)	Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 45 mins by AlphaScreen competitive inhibition assay
50046091	2	ChEMBL_1504364 (CHEMBL3592701)	Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after 1.5 hrs by FP competitive inhibition assay
50046091	3	ChEMBL_1504388 (CHEMBL3592841)	Inhibition of human beta-catenin V511S mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay
50046091	4	ChEMBL_1504390 (CHEMBL3592843)	Inhibition of human beta-catenin R469A mutant/human wild-type Tcf4 interaction after 1.5 hrs by FP competitive inhibition assay
50018110	1	ChEMBL_365442 (CHEMBL869109)	Inhibition of Escherichia coli TEM1
50018110	3	ChEMBL_365444 (CHEMBL869111)	Inhibition of Bacteroides fragilis CcrA
50018110	2	ChEMBL_365443 (CHEMBL869110)	Inhibition of Enterobacter cloacae Imi1
50018110	4	ChEMBL_365445 (CHEMBL869112)	Inhibition of Enterobacter cloacae AmpC
50046091	5	ChEMBL_1504392 (CHEMBL3592845)	Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein-labeled human E-cadherin (residues 819-873) interaction by FP competitive inhibition assay
50046091	6	ChEMBL_1504393 (CHEMBL3592846)	Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein-labeled human APC-R3 (residues 1477-1519) interaction by FP competitive inhibition assay
50046092	1	ChEMBL_1504397 (CHEMBL3592850)	Inhibition of JAK1 (unknown origin)
50046092	2	ChEMBL_1504396 (CHEMBL3592849)	Inhibition of JAK2 (unknown origin)
50046092	3	ChEMBL_1504398 (CHEMBL3592851)	Inhibition of JAK3 (unknown origin)
50046092	4	ChEMBL_1504399 (CHEMBL3592852)	Inhibition of TYK2 (unknown origin)
50046092	5	ChEMBL_1504402 (CHEMBL3592855)	Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation
50046093	1	ChEMBL_1504537 (CHEMBL3591133)	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as dopaquinone production after 5 mins by microplate reader analysis
50046093	2	ChEMBL_1504548 (CHEMBL3591144)	Inhibition of plasmin (unknown origin) after 18 hrs by arianor mahogany dye-based fibrin plate assay
50046094	1	ChEMBL_1504550 (CHEMBL3591146)	Inhibition of VMAT2-mediated [3H]DA uptake in rat brain synaptic vesicles by liquid scintillation spectrometry
50046094	2	ChEMBL_1504549 (CHEMBL3591145)	Displacement of [3H]DTBZ from VMAT2 in rat whole brain by liquid scintillation spectrometry
50046095	1	ChEMBL_1504564 (CHEMBL3591305)	Antagonist activity at ER-alpha (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter gene assay
50046095	2	ChEMBL_1504566 (CHEMBL3591307)	Antagonist activity at ER-beta (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter gene assay
50046095	3	ChEMBL_1504556 (CHEMBL3591297)	Binding affinity to human ER-alpha ligand binding domain after 2 hrs by competitive fluorometric binding assay
50018112	2	ChEMBL_365396 (CHEMBL869117)	Inhibition of Wistar rat brain FAAH
50018112	1	ChEMBL_365397 (CHEMBL869118)	Inhibition of MGL-like activity in Wistar rat cerebellar membranes
50018113	2	ChEMBL_365386 (CHEMBL870316)	Inhibition of dimerization of HIV1 protease G48V/L90M mutant
50018113	4	ChEMBL_365383 (CHEMBL870313)	Inhibition of dimerization of HIV1 protease D30N mutant
50018113	7	ChEMBL_365380 (CHEMBL870310)	Inhibition of wild type HIV1 protease dimerization
50018113	8	ChEMBL_365379 (CHEMBL870309)	Inhibition of wild type HIV1 protease
50018113	6	ChEMBL_365388 (CHEMBL870318)	Inhibition of dimerization of HIV1 protease ANAM-11 mutant
50018113	5	ChEMBL_365384 (CHEMBL870314)	Inhibition of dimerization of HIV1 protease 150V mutant
50018113	1	ChEMBL_365385 (CHEMBL870315)	Inhibition of dimerization of HIV1 protease V82A mutant
50018113	3	ChEMBL_365387 (CHEMBL870317)	Inhibition of dimerization of HIV1 protease MDR-HM mutant
50046095	4	ChEMBL_1504557 (CHEMBL3591298)	Binding affinity to human ER-beta ligand binding domain after 2 hrs by competitive fluorometric binding assay
50018118	1	ChEMBL_377003 (CHEMBL868554)	Inhibition of DNA polymerase alpha
50018118	5	ChEMBL_377005 (CHEMBL868560)	Inhibition of DNA polymerase gamma
50046095	5	ChEMBL_1504560 (CHEMBL3591301)	Agonist activity at ER-alpha (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by luciferase reporter gene assay
50018118	3	ChEMBL_377004 (CHEMBL868559)	Inhibition of DNA polymerase beta
50046095	6	ChEMBL_1504553 (CHEMBL3591149)	Inhibition of human recombinant HDAC1 after 15 mins by fluorogenic assay
50018120	3	ChEMBL_376971 (CHEMBL853374)	Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells
50046095	7	ChEMBL_1504572 (CHEMBL3591313)	Inhibition of human recombinant HDAC6 after 15 mins by fluorogenic assay
50046095	8	ChEMBL_1504562 (CHEMBL3591303)	Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by luciferase reporter gene assay
50018120	4	ChEMBL_376973 (CHEMBL871434)	Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50046096	1	ChEMBL_1504573 (CHEMBL3591314)	Displacement of [3H]DAMGO from mu opioid receptor in rat cortices by competition binding assay
50046096	2	ChEMBL_1504574 (CHEMBL3591315)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay
50046096	3	ChEMBL_1504575 (CHEMBL3591316)	Displacement of [3H]DPDPE from delta opioid receptor in rat cortices by competition binding assay
50046096	4	ChEMBL_1504576 (CHEMBL3591317)	Agonist activity at delta opioid receptor (unknown origin) expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by FRET assay
50046097	1	ChEMBL_1502326 (CHEMBL3591560)	Agonist activity at LXRbeta (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay
50046097	2	ChEMBL_1502324 (CHEMBL3591558)	Agonist activity at LXRalpha (unknown origin) expressed in CHOK1 cells incubated for 24 hrs by GAL4-responsive luciferase reporter gene assay
50046097	3	ChEMBL_1502322 (CHEMBL3591556)	Agonist activity at LXRbeta (unknown origin)
50046097	4	ChEMBL_1502320 (CHEMBL3591554)	Agonist activity at LXRalpha (unknown origin)
50018124	1	ChEMBL_376271 (CHEMBL854480)	Activity at human PPAR gamma transfected in NIH3T3 cells by luciferase activity assay
50018124	2	ChEMBL_376272 (CHEMBL854481)	Activity at human PPAR alpha
50046098	1	ChEMBL_1502545 (CHEMBL3592570)	Inhibition of LRRK2 G2019S mutant (unknown origin)
50046098	2	ChEMBL_1502544 (CHEMBL3592569)	Inhibition of wild type LRRK2 (unknown origin) assessed as inhibition of LRRKtide phosphorylation after 120 mins by radiometric assay in presence of [gamma-33P]-ATP
50046099	1	ChEMBL_1502747 (CHEMBL3590857)	Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPLC with fluorescence detection method
50046100	1	ChEMBL_1502757 (CHEMBL3591008)	Inhibition of human ERG expressed in CHO cells by automated whole-cell patch clamp electrophysiology system
50046100	2	ChEMBL_1502758 (CHEMBL3591009)	Antagonist activity at rat MCHR1
50046100	3	ChEMBL_1502759 (CHEMBL3591010)	Antagonist activity at rat MCHR1 assessed as 6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
50046100	4	ChEMBL_1502789 (CHEMBL3591192)	Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as inhibition of MCH-stimulated Ca2+ influx preincubated for 120 mins followed by MCH challenge by FLIPR assay
50046100	5	ChEMBL_1502790 (CHEMBL3591193)	Antagonist activity at rat MCHR1 assessed as 2-(4-chlorophenyl)-5-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
50046101	1	ChEMBL_1502939 (CHEMBL3591776)	Inhibition of HTRF binding to N-terminal His-tagged BRD4(1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labeled streptavidin incubated for 2 hrs by TR-FRET assay
50046101	2	ChEMBL_1502940 (CHEMBL3591777)	Inhibition of HTRF binding to N-terminal His-tagged BRD2(2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide and Cryptate-labeled streptavidin incubated for 2 hrs by TR-FRET assay
50046102	1	ChEMBL_1502945 (CHEMBL3591879)	Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay
50046103	1	ChEMBL_1502964 (CHEMBL3591898)	Inhibition of human TNKS2 catalytic activity
50046103	2	ChEMBL_1502965 (CHEMBL3591899)	Inhibition of human TNKS1 catalytic activity
50046103	3	ChEMBL_1502966 (CHEMBL3591900)	Inhibition of human PARP1
50046104	1	ChEMBL_1502982 (CHEMBL3592015)	Inhibition of GST-tagged p110delta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay
50046104	2	ChEMBL_1502983 (CHEMBL3592016)	Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay
50018130	1	ChEMBL_404278 (CHEMBL912134)	Antagonist activity against low pH(5.0-5.5)-activated rat VR1
50046104	3	ChEMBL_1502979 (CHEMBL3591913)	Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay
50046104	4	ChEMBL_1502980 (CHEMBL3591914)	Inhibition of GST-tagged human p110beta expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay
50046104	5	ChEMBL_1502981 (CHEMBL3591915)	Inhibition of His-tagged p110gamma (unknown origin) expressed in Sf9/Baculovirus system using [gamma-33P]ATP by scintillation proximity assay
50046105	1	ChEMBL_1503067 (CHEMBL3592213)	Partial agonist activity at androgen receptor (unknown origin)
50046105	2	ChEMBL_1503066 (CHEMBL3592212)	Antagonist activity at androgen receptor (unknown origin)
50018131	2	ChEMBL_403902 (CHEMBL909733)	Binding affinity to MCHR1 by radioligand binding assay
50018131	1	ChEMBL_403903 (CHEMBL909734)	Displacement of [3H]mesulergine from 5HT2C receptor
50018134	2	ChEMBL_398339 (CHEMBL908004)	Inhibition of rat testis 17-alpha-hydroxylase component of P450-17alpha
50018134	1	ChEMBL_398341 (CHEMBL908006)	Inhibition of rat testis 17,20 lyase component of P450-17alpha
50018135	2	ChEMBL_397230 (CHEMBL863111)	Displacement of [125I]MCP-1 from human CCR2b expressed in CHO cells
50018135	1	ChEMBL_397231 (CHEMBL864277)	Displacement of [125I]MCP-1 from human CCR2b expressed in human monocyte cells
50018135	3	ChEMBL_397232 (CHEMBL864287)	Activity at CCR2b by calcium flux based FLIPR assay in CHO cells
50018139	2	ChEMBL_397780 (CHEMBL856311)	Inhibition of human NHE1 expressed in Ap1 cell line
50018139	1	ChEMBL_397781 (CHEMBL856312)	Inhibition of human NHE2 expressed in Ap1 cell line
50018141	1	ChEMBL_393605 (CHEMBL912696)	Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay
50046106	1	ChEMBL_1503095 (CHEMBL3592345)	Inhibition of human recombinant BACE1 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 2 hrs by HPLC-FLU analysis
50046106	2	ChEMBL_1503096 (CHEMBL3592346)	Apparent inhibition of human recombinant BACE2 using Mca-SEVNLDAEFK-DNP substrate assessed as substrate hydrolysis after 1 hr by HPLC-FLU analysis
50046106	3	ChEMBL_1503109 (CHEMBL3592359)	Inhibition of active BACE1 (unknown origin)
50046106	4	ChEMBL_1503108 (CHEMBL3592358)	Inhibition of pro-BACE1 (unknown origin)
50046107	1	ChEMBL_1503326 (CHEMBL3590717)	Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
50018145	1	ChEMBL_398263 (CHEMBL908007)	Inhibition of CDK1/cyclinB by Flashplate assay
50024994	1	ChEMBL_525718 (CHEMBL980232)	Inhibition of tyrosinase
50024995	1	ChEMBL_525719 (CHEMBL980233)	Displacement of [125I]RANTES from human CCR5 expressed in mouse 3T3 cells
50025002	2	ChEMBL_526042 (CHEMBL979271)	Inhibition of xanthine oxidase
50025002	1	ChEMBL_526043 (CHEMBL967261)	Inhibition of xanthine oxidase by competitive Lineweaver-Burke plot
50018148	1	ChEMBL_393590 (CHEMBL856920)	Activity at human recombinant iGluR2 flip expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glutamate by FLIPR assay
50018148	3	ChEMBL_393592 (CHEMBL856923)	Activity at human recombinant iGluR4 flop expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glutamate by FLIPR assay
50018148	2	ChEMBL_393593 (CHEMBL856924)	Activity at human recombinant iGluR2 flop expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glutamate by FLIPR assay
50018148	4	ChEMBL_393591 (CHEMBL856922)	Activity at human recombinant iGluR4 flip expressed in HEK293 cells measured as change in intracellular calcium ion concentration in presence of glutamate by FLIPR assay
50018151	1	ChEMBL_392530 (CHEMBL864291)	Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase
50018156	5	ChEMBL_394617 (CHEMBL910276)	Binding affinity to NK2 receptor
50018156	3	ChEMBL_394619 (CHEMBL910278)	Binding affinity to ORL1 receptor
50018156	1	ChEMBL_394620 (CHEMBL864290)	Binding affinity to V1a receptor
50046108	1	ChEMBL_1503352 (CHEMBL3590743)	Binding affinity to VAChT Torpedo californica electric organ synaptic vesicles
50046108	2	ChEMBL_1503355 (CHEMBL3590746)	Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles
50018156	4	ChEMBL_394618 (CHEMBL910277)	Binding affinity to MC4 receptor
50046108	3	ChEMBL_1503354 (CHEMBL3590745)	Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay
50046108	4	ChEMBL_1503353 (CHEMBL3590744)	Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat brain membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay
50046108	5	ChEMBL_1503356 (CHEMBL3590859)	Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay
50018158	1	ChEMBL_394625 (CHEMBL910266)	Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method
50046109	1	ChEMBL_1503361 (CHEMBL3590864)	Inhibition of VEGFR2 (unknown origin) using biotinylated poly-GluTyr by ELISA reader
50046110	1	ChEMBL_1503372 (CHEMBL3590875)	Inhibition of His-tagged human DHODH assessed as reduction of DCIP by spectrophotometry
50046110	2	ChEMBL_1503366 (CHEMBL3590869)	Inhibition of human recombinant DHODH
50046111	1	ChEMBL_1503504 (CHEMBL3591434)	Inhibition of NBD-cholesterol binding to recombinant Aedes aegypti SCP-2 protein by fluorescence based assay
50046112	1	ChEMBL_1503690 (CHEMBL3592251)	Antagonist activity at myostatin in mouse LbetaT2 cells transfected with -338 promoter region of FSHbeta gene conjugated to luciferase reporter assessed as inhibition of FSHbeta promoter activation by luciferase assay
50046112	2	ChEMBL_1503623 (CHEMBL3591943)	Antagonist activity at activin A in mouse LbetaT2 cells transfected with -338 promoter region of FSHbeta gene conjugated to luciferase reporter assessed as inhibition of FSHbeta promoter activation by luciferase assay
50046113	1	ChEMBL_1503693 (CHEMBL3592254)	Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
50046113	2	ChEMBL_1503695 (CHEMBL3592256)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
50046113	3	ChEMBL_1503699 (CHEMBL3592370)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA relaxation assay
50046113	4	ChEMBL_1503691 (CHEMBL3592252)	Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
50046113	5	ChEMBL_1503715 (CHEMBL3592386)	Inhibition of Escherichia coli DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay
50046113	6	ChEMBL_1503714 (CHEMBL3592385)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate after 3 hrs by DNA super-coiling assay
50046113	7	ChEMBL_1503712 (CHEMBL3592383)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 using kinetoplast DNA as substrate by decatenation assay
50046114	1	ChEMBL_1503717 (CHEMBL3592388)	Displacement of [3H]PGE2 from human EP3 receptor by MicroBeta plate-based scintillation counting/SPA binding assay
50046115	1	ChEMBL_1503718 (CHEMBL3592389)	Inhibition of mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysis
50046115	2	ChEMBL_1503719 (CHEMBL3592390)	Inhibition of bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysis
50046116	1	ChEMBL_1503790 (CHEMBL3592671)	Inhibition of human recombinant Cav3.2 channel
50046116	2	ChEMBL_1503812 (CHEMBL3592796)	Inhibition of Cav3.2 channel in rat DRG neurons assessed as reduction in LVA currents
50046116	3	ChEMBL_1503813 (CHEMBL3592797)	Inhibition of L-type calcium channel (unknown origin)
50046116	4	ChEMBL_1503822 (CHEMBL3592806)	Competitive inhibition of CYP1A2 (unknown origin)
50046116	5	ChEMBL_1503823 (CHEMBL3592807)	Competitive inhibition of CYP2C9 (unknown origin)
50046116	6	ChEMBL_1503824 (CHEMBL3592808)	Competitive inhibition of CYP2C19 (unknown origin)
50046116	7	ChEMBL_1503825 (CHEMBL3592809)	Competitive inhibition of CYP2D6 (unknown origin)
50046116	8	ChEMBL_1503826 (CHEMBL3592810)	Competitive inhibition of CYP3A4 (unknown origin)
50046116	9	ChEMBL_1503827 (CHEMBL3592811)	Activation of PXR (unknown origin) assessed as induction of CYP3A4
50046116	10	ChEMBL_1503828 (CHEMBL3592812)	Activation of aryl hydrocarbon receptor (unknown origin) assessed as induction of CYP1A2 mRNA expression
50046117	1	ChEMBL_1503969 (CHEMBL3590899)	Inhibition of human Nav1.8/beta1 expressed in HEK293 cells by manual patch clamp electrophysiology
50046117	2	ChEMBL_1503970 (CHEMBL3590900)	Inhibition of human Nav1.1 expressed in HEK293 cells by IonWorks Quattro selectivity assay
50046117	3	ChEMBL_1503971 (CHEMBL3590901)	Inhibition of human Nav1.2 expressed in HEK293 cells by IonWorks Quattro selectivity assay
50046117	4	ChEMBL_1503972 (CHEMBL3590902)	Inhibition of human Nav1.5 expressed in HEK293 cells by IonWorks Quattro selectivity assay
50046117	5	ChEMBL_1503973 (CHEMBL3590903)	Inhibition of human Nav1.7 expressed in HEK293 cells by FRET assay
50046117	6	ChEMBL_1503974 (CHEMBL3590904)	Inhibition of human Nav1.2 expressed in SHSY5Y cells by IonWorks Quattro selectivity assay
50046117	7	ChEMBL_1503975 (CHEMBL3590905)	Inhibition of human Nav1.3 expressed in SHSY5Y cells by IonWorks Quattro selectivity assay
50046117	8	ChEMBL_1503976 (CHEMBL3590906)	Inhibition of human Nav1.7 expressed in SHSY5Y cells by FRET assay
50046117	9	ChEMBL_1503985 (CHEMBL3590915)	Inhibition of human ERG
50046117	10	ChEMBL_1503943 (CHEMBL3590772)	Inhibition of human Nav1.8 expressed in HEK293 cells assessed as reduction in blue fluorescent signal by VSP-FRET assay
50046117	11	ChEMBL_1503944 (CHEMBL3590773)	Inhibition of human Nav1.2 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay
50018165	2	ChEMBL_401902 (CHEMBL906905)	Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells
50018165	1	ChEMBL_401901 (CHEMBL906904)	Agonist activity at NR2E3 by beta lactamase transactivation assay
50018166	2	ChEMBL_391776 (CHEMBL868049)	Activity against human GLUR4 flop expressed in HEK293 cells assessed as glutamate-stimulated calcium influx by FLIPR assay
50018166	1	ChEMBL_391775 (CHEMBL869262)	Activity against human GLUR4 flip expressed in HEK293 cells assessed as glutamate-stimulated calcium influx by FLIPR assay
50018166	3	ChEMBL_391777 (CHEMBL871564)	Activity against human GLUR2 flip expressed in HEK293 cells assessed as glutamate-stimulated calcium influx by FLIPR assay
50018166	4	ChEMBL_391778 (CHEMBL871565)	Activity against human GLUR2 flop expressed in HEK293 cells assessed as glutamate-stimulated calcium influx by FLIPR assay
50046117	12	ChEMBL_1503945 (CHEMBL3590774)	Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay
50046117	13	ChEMBL_1503946 (CHEMBL3590775)	Inhibition of human Nav1.7 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay
50046118	1	ChEMBL_1504110 (CHEMBL3591484)	Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SAM and peptide mix
50046118	2	ChEMBL_1504109 (CHEMBL3591483)	Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [3H]SAM and peptide mix
50018169	3	ChEMBL_390067 (CHEMBL869238)	Inhibition of [125I]MCP1 binding to CCR2 expressed in CHO cells
50018169	1	ChEMBL_390071 (CHEMBL869247)	Inhibition of NK1
50018169	2	ChEMBL_390072 (CHEMBL869248)	Inhibition of CCR5
50018171	3	ChEMBL_390145 (CHEMBL868653)	Inhibition of HDAC1
50018171	1	ChEMBL_390147 (CHEMBL868655)	Inhibition of HDAC6
50018171	2	ChEMBL_390146 (CHEMBL868654)	Inhibition of HDAC4
50046118	3	ChEMBL_1504108 (CHEMBL3591482)	Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SAM and peptide mix
50046118	4	ChEMBL_1504124 (CHEMBL3591656)	Inhibition of his-tagged PRMT6 (unknown origin) expressed in human A375 cells assessed as reduction in H3R2 methylation at 0.01 to 20 uM incubated for 48 hrs by Western blot method
50046118	5	ChEMBL_1504126 (CHEMBL3591658)	Inhibition of PRMT1 in human A375 cells assessed as effect on monomethyl R*GG motif methylation at 0.01 to 20 uM incubated for 48 hrs by Western blot method
50046119	1	ChEMBL_1504147 (CHEMBL3591679)	Inhibition of JHDM1F (unknown origin) using H3K9mel peptide
50046119	2	ChEMBL_1504146 (CHEMBL3591678)	Inhibition of JMJD1A (unknown origin) using H3K9mel peptide
50046119	3	ChEMBL_1504144 (CHEMBL3591676)	Inhibition of JARID1A (unknown origin) using biotinylated H3K9mel peptide after 60 mins by Alpha screen assay
50018177	2	ChEMBL_382561 (CHEMBL869767)	Inhibition of kinesin ATPase activity by enzyme-linked inorganic phosphate detection assay without preincubation
50018177	1	ChEMBL_382560 (CHEMBL869768)	Inhibition of kinesin ATPase activity by enzyme-linked inorganic phosphate detection assay with 5 mins pre-incubation
50018178	4	ChEMBL_382597 (CHEMBL854512)	Inhibition of Mycobacterium tuberculosis ptpA
50018178	5	ChEMBL_382596 (CHEMBL854511)	Inhibition of SHP2
50018178	6	ChEMBL_382595 (CHEMBL854510)	Inhibition of PTP1b
50018178	3	ChEMBL_382598 (CHEMBL854513)	Inhibition of Mycobacterium tuberculosis ptpb
50018178	1	ChEMBL_382594 (CHEMBL854509)	Inhibition of VHR
50018178	2	ChEMBL_382593 (CHEMBL854508)	Inhibition of CDC25a
50018181	7	ChEMBL_379935 (CHEMBL864855)	Inhibition of human Wee1 in presence of 9.5 uM ATP
50046119	4	ChEMBL_1504145 (CHEMBL3591677)	Inhibition of JMJD2C (unknown origin) using H3K9mel peptide
50046120	1	ChEMBL_1504266 (CHEMBL3592269)	Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader
50018181	1	ChEMBL_379937 (CHEMBL864857)	Inhibition of c-Src
50018181	4	ChEMBL_379940 (CHEMBL864860)	Inhibition of CDK4
50046121	1	ChEMBL_1504279 (CHEMBL3592282)	Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group from [3H]-SAM to biotinylated peptide substrate after 40 mins by scintillation proximity assay
50018181	3	ChEMBL_379938 (CHEMBL864858)	Inhibition of PDGFR
50046121	2	ChEMBL_1504425 (CHEMBL3592990)	Inhibition of recombinant full-length human SMYD2 (1 to 433) expressed in Escherichia coli BL21Star(DE3) cells using p53 peptide as substrate after 90 mins by scintillation proximity assay in presence of [3H]-SAM
50046121	3	ChEMBL_1504432 (CHEMBL3592997)	Inhibition of SMYD2 (unknown origin) using p53 (361 to 380) as substrate assessed as incorporation of tritium labeled methyl group from [3H]-SAM to p53 peptide substrate after 1 hr by scintillation proximity assay
50046122	1	ChEMBL_1504613 (CHEMBL3591518)	Inhibition of human Kv11.1 expressed in HEK293 cells assessed as inhibition of channel tail current at holding potential -80 mV by whole cell voltage clamp assay
50046122	2	ChEMBL_1504608 (CHEMBL3591513)	Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay
50046122	3	ChEMBL_1504611 (CHEMBL3591516)	Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association assay
50018186	1	ChEMBL_381820 (CHEMBL869166)	Displacement of [3H]estradiol from human ERalpha
50018186	2	ChEMBL_381821 (CHEMBL869167)	Displacement of [3H]estradiol from human ERbeta
50018187	2	ChEMBL_381687 (CHEMBL869163)	Binding affinity to ap2
50018187	1	ChEMBL_381686 (CHEMBL869162)	Binding affinity to human kFABP
50018188	1	ChEMBL_381626 (CHEMBL869160)	Inhibition of human IMPDH2
50018188	2	ChEMBL_381625 (CHEMBL869159)	Inhibition of human IMPDH1
50018189	3	ChEMBL_402646 (CHEMBL906927)	Inhibition of KDR measured as pGAT-biotin peptide phosphorylation by HTRF assay
50018189	2	ChEMBL_402644 (CHEMBL906925)	Inhibition of EGFR measured as pGAT-biotin peptide phosphorylation in presence of 2.0 uM ATP by HTRF assay
50018189	1	ChEMBL_402645 (CHEMBL906926)	Inhibition of EGFR autophosphorylation in DiFi cells by ELISA
50018190	6	ChEMBL_391841 (CHEMBL863646)	Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA
50018190	7	ChEMBL_391842 (CHEMBL863645)	Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA
50018190	2	ChEMBL_391843 (CHEMBL861265)	Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA
50018190	5	ChEMBL_391846 (CHEMBL862441)	Activity at mouse MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay
50018190	4	ChEMBL_391845 (CHEMBL862440)	Activity at human MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay
50018190	3	ChEMBL_391844 (CHEMBL861266)	Activity at rat MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay
50018190	1	ChEMBL_391847 (CHEMBL862442)	Antagonist activity at MCHR1 by Schild experiment
50018191	2	ChEMBL_402775 (CHEMBL908626)	Displacement of [125I]CGRP from human recombinant CGRP receptor
50018191	1	ChEMBL_402776 (CHEMBL908628)	Activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production
50018192	1	ChEMBL_422302 (CHEMBL907003)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain
50018192	2	ChEMBL_422303 (CHEMBL907004)	Displacement of [3H]CP-55940 from human cloned CB2 receptor
50018193	1	ChEMBL_420884 (CHEMBL856550)	Binding activity against human MCH-R1
50018196	5	ChEMBL_422272 (CHEMBL855991)	Inhibition of human 11beta-HSD1
50018196	2	ChEMBL_422276 (CHEMBL855996)	Inhibition of human 11beta-HSD1 expressed in HEK cells
50018196	3	ChEMBL_422273 (CHEMBL855992)	Inhibition of human 11beta-HSD2
50018196	1	ChEMBL_422275 (CHEMBL855995)	Inhibition of mouse 11beta-HSD2
50018196	4	ChEMBL_422274 (CHEMBL855994)	Inhibition of mouse 11beta-HSD1
50018200	2	ChEMBL_422205 (CHEMBL856491)	Inhibition of Tie2
50018200	1	ChEMBL_422206 (CHEMBL814076)	Inhibition of VEGFR2
50018202	2	ChEMBL_422240 (CHEMBL856508)	Inhibition of mouse FYN
50018202	1	ChEMBL_422239 (CHEMBL856507)	Inhibition of c-RAF
50018204	5	ChEMBL_393612 (CHEMBL913238)	Inhibition of human recombinant caspase 6
50018204	2	ChEMBL_393611 (CHEMBL856931)	Inhibition of human recombinant caspase 3
50018204	4	ChEMBL_393613 (CHEMBL913244)	Inhibition of human recombinant caspase 7
50018204	1	ChEMBL_393614 (CHEMBL913242)	Inhibition of human recombinant caspase 8
50018204	3	ChEMBL_393610 (CHEMBL913260)	Inhibition of human recombinant caspase 1
50018205	1	ChEMBL_402550 (CHEMBL906912)	Inhibition of recombinant KDR at 1 uM by ELISA
50018206	5	ChEMBL_422285 (CHEMBL906985)	Inhibition of human 11beta-HSD2
50018206	4	ChEMBL_422284 (CHEMBL856010)	Inhibition of human 11beta-HSD1 expressed in Escherichia coli
50018206	1	ChEMBL_422286 (CHEMBL906986)	Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli
50018206	3	ChEMBL_422288 (CHEMBL906988)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells
50018206	2	ChEMBL_422287 (CHEMBL906987)	Inhibition of mouse 11beta-HSD2
50018216	2	ChEMBL_404073 (CHEMBL909739)	Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membrane
50018216	5	ChEMBL_404072 (CHEMBL909738)	Inhibition of [3H]5-HT uptake at SERT in rat hippocampal synaptosomes
50018216	1	ChEMBL_404069 (CHEMBL909735)	Inhibition of [3H]NIC binding to alpha-4-beta-2 nAChR in rat brain membrane
50018216	3	ChEMBL_404070 (CHEMBL909736)	Inhibition of [3H]MLA binding to alpha-7 nAChR in rat brain membrane
50018216	4	ChEMBL_404071 (CHEMBL909737)	Inhibition of [3H]DA uptake at DAT in rat striatal synaptosomes
50018220	1	ChEMBL_422306 (CHEMBL907007)	Inhibition of human recombinant soluble Epoxide hydrolase
50018220	2	ChEMBL_422305 (CHEMBL856477)	Inhibition of mouse recombinant soluble Epoxide hydrolase
50046123	1	ChEMBL_1502185 (CHEMBL3590970)	Inhibition of human TRAF6 interaction with biotinylated RANK peptide by NMR interaction analysis
50046124	1	ChEMBL_1502200 (CHEMBL3590985)	Inhibition of REV-ERBbeta (unknown origin) expressed in HEK293 cells incubated for 24 hrs assessed as inhibition of receptor-mediated transcriptional repression by REV-ERB luciferase reporter assay
50046125	1	ChEMBL_1502227 (CHEMBL3591163)	Inhibition of Tdp1 (unknown origin) incubated for 30 mins using 5'-/6-TAMN/AGGATCTAAAAGACTT/3BHQ_2/-3' substrate by microplate reader based assay
50046126	1	ChEMBL_1502229 (CHEMBL3591165)	Agonist activity at CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate reader based assay
50046126	2	ChEMBL_1502230 (CHEMBL3591166)	Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate reader based assay
50018231	1	ChEMBL_422146 (CHEMBL863589)	Binding affinity to Grb2-SH2 domain
50018233	5	ChEMBL_422153 (CHEMBL713681)	Binding affinity at histamine H3 receptor by hH3-[35S]GTPgamma[S] binding assay
50018233	3	ChEMBL_422154 (CHEMBL863591)	Displacement of [3H]Astemizole from hERG expressed in HEK293 cells at 10 uM
50018233	2	ChEMBL_422157 (CHEMBL863594)	Inhibition of CYP2D6 in human liver microsomes
50018233	4	ChEMBL_422155 (CHEMBL863592)	Inhibition of CYP1A2 in human liver microsomes
50018233	1	ChEMBL_422156 (CHEMBL863593)	Inhibition of CYP3A4 in human liver microsomes
50018234	1	ChEMBL_392659 (CHEMBL864283)	Displacement of [3H]cyanoimipramine from SERT in rat cerebral cortex homogenate
50018234	3	ChEMBL_392661 (CHEMBL863114)	Displacement of [3H]nisoxetine from NET in rat cerebral cortex
50018234	2	ChEMBL_392660 (CHEMBL863115)	Displacement of [3H]beta-CIT from DAT in rat caudate homogenate
50018235	1	ChEMBL_381887 (CHEMBL870370)	Inhibition of human aPC
50018235	2	ChEMBL_381888 (CHEMBL870372)	Inhibition of human thrombin activity
50018237	3	ChEMBL_382057 (CHEMBL866136)	Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay
50018237	5	ChEMBL_382055 (CHEMBL866786)	Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay
50018237	4	ChEMBL_382037 (CHEMBL863649)	Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay
50018237	2	ChEMBL_382040 (CHEMBL863653)	Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells
50018237	1	ChEMBL_382039 (CHEMBL863651)	Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane
50018241	1	ChEMBL_383686 (CHEMBL854531)	Inhibition of CDK2
50018247	1	ChEMBL_383814 (CHEMBL854532)	Binding affinity to human 5HT6 receptor in HEK293 cells by radioligand binding assay
50018250	2	ChEMBL_386233 (CHEMBL870447)	Inhibition of human liver cathepsin B
50018250	1	ChEMBL_386232 (CHEMBL869269)	Inhibition of porcine erythrocyte mu calpain
50018253	3	ChEMBL_385201 (CHEMBL868013)	Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay
50018253	1	ChEMBL_385203 (CHEMBL868015)	Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay
50018253	2	ChEMBL_385202 (CHEMBL868014)	Activity at human LPA2 receptor expressed in RH7777 cells by calcium mobilization assay
50046126	3	ChEMBL_1502233 (CHEMBL3591169)	Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracellular calcium level pre-treated 10 mins before CP55940 stimulation by microplate reader based assay
50046126	4	ChEMBL_1502234 (CHEMBL3591170)	Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracellular calcium level pre-treated 10 mins before CP55940 stimulation by microplate reader based assay
50046127	3	ChEMBL_1502595 (CHEMBL3592735)	Binding affinity to N-terminal MBP fused and Texas-red-labeled full-length human Pin1 S16A/Y23A mutant expressed in Escherichia coli assessed as increase in fluorescence anisotropy by spectrofluorimetry
50018261	1	ChEMBL_387795 (CHEMBL865491)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50018261	3	ChEMBL_387796 (CHEMBL865494)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50018261	2	ChEMBL_387797 (CHEMBL865495)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane
50046127	4	ChEMBL_1502606 (CHEMBL3592746)	Inhibition of Pin4 (unknown origin) pre-incubated for 10 mins before addition of Suc-Ala-Glu-Pro-Phe-pNA substrate in presence of alpha-chymotrypsin by UV/Vis spectrophotometry
50046127	2	ChEMBL_1502598 (CHEMBL3592738)	Binding affinity to bovine serum albumin
50018263	1	ChEMBL_420723 (CHEMBL856564)	Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R2
50046128	11	ChEMBL_1502797 (CHEMBL3591200)	Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 15 mins in presence of CP55,940 by cAMP BRET assay
50046128	12	ChEMBL_1502794 (CHEMBL3591197)	Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation in presence of CP55,940 by cAMP BRET assay
50046128	10	ChEMBL_1502621 (CHEMBL3592882)	Agonist activity at human CB2 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP accumulation
50046128	13	ChEMBL_1502795 (CHEMBL3591198)	Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 5 mins in presence of CP55,940 by cAMP BRET assay
50046128	9	ChEMBL_1502796 (CHEMBL3591199)	Activity at hemagglutinin-tagged human CB1 receptor expressed in HEK293 cells assessed as effect on forskolin-induced cAMP accumulation after 10 mins in presence of CP55,940 by cAMP BRET assay
50046128	8	ChEMBL_1502620 (CHEMBL3592881)	Agonist activity at human CB1 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP accumulation
50046128	14	ChEMBL_1502804 (CHEMBL3591207)	Activity at hemagglutinin-tagged human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation in absence of CP55,940 by cAMP BRET assay
50018265	4	ChEMBL_424045 (CHEMBL854611)	Inhibition of mushroom tyrosinase at 1.2 uM
50018265	5	ChEMBL_424044 (CHEMBL854613)	Inhibition of tyrosinase
50018265	1	ChEMBL_424047 (CHEMBL855673)	Inhibition of mushroom tyrosinase at 9.2 uM
50018265	3	ChEMBL_424048 (CHEMBL855674)	Inhibition of mushroom tyrosinase at 18.4 uM
50018265	2	ChEMBL_424046 (CHEMBL854616)	Inhibition of mushroom tyrosinase at 2.4 uM
50046129	1	ChEMBL_1505129 (CHEMBL3594645)	Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethyl-N-methyl amino)-ethyl]-7-methoxy-4-methylcoumarin as substrate after 30 mins by fluorescence-based assay
50046129	2	ChEMBL_1505192 (CHEMBL3594777)	Inhibition of human ERG expressed in CHO cells after 10 mins by Rb efflux assay
50046129	3	ChEMBL_1505132 (CHEMBL3594648)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 30 mins before substrate addition measured after 20 mins by LC-MS/MS analysis
50046129	4	ChEMBL_1505201 (CHEMBL3594786)	Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate assessed as residual activity preincubated for 0 min followed by substrate addition measured after 20 mins by LC-MS/MS analysis
50046129	5	ChEMBL_1505202 (CHEMBL3594787)	Time-dependent inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate assessed as residual activity preincubated for 30 mins followed by substrate addition measured after 20 mins by LC-MS/MS analysis
50046129	6	ChEMBL_1505130 (CHEMBL3594646)	Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate after 15 mins by fluorescence-based assay
50046129	7	ChEMBL_1505128 (CHEMBL3594644)	Inhibition of recombinant human CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin as substrate after 45 mins by fluorescence-based assay
50046130	1	ChEMBL_1505208 (CHEMBL3594793)	Inhibition of human ERG expressed in CHOK1 cells incubated for 10 mins by Rb efflux assay
50018268	1	ChEMBL_424056 (CHEMBL855065)	Inhibition of human Low density lipoprotein-associated phospholipase A2
50018269	2	ChEMBL_424061 (CHEMBL855070)	Inhibition of human ACAT2 expressed in Hi5 cells
50018269	1	ChEMBL_424060 (CHEMBL855069)	Inhibition of human ACAT1 expressed in Hi5 cells
50018271	1	ChEMBL_424080 (CHEMBL855083)	Displacement of Fluormone from PPAR gamma
50018273	1	ChEMBL_424083 (CHEMBL855086)	Inhibition of rabbit liver guanase
50018274	4	ChEMBL_424087 (CHEMBL855090)	Inhibition of NET
50018274	3	ChEMBL_424086 (CHEMBL855089)	Inhibition of DAT
50018274	2	ChEMBL_424085 (CHEMBL855088)	Inhibition of 5HTT
50018274	1	ChEMBL_424084 (CHEMBL855087)	Binding affinity to CCR3
50018275	1	ChEMBL_424103 (CHEMBL856749)	Inhibition of mouse 11beta-HSD1
50018275	4	ChEMBL_424102 (CHEMBL856748)	Inhibition of human 11beta-HSD2
50018275	5	ChEMBL_424105 (CHEMBL856751)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells
50018275	2	ChEMBL_424104 (CHEMBL856750)	Inhibition of mouse 11beta-HSD2
50018275	3	ChEMBL_424101 (CHEMBL856747)	Inhibition of human 11beta-HSD1
50018277	4	ChEMBL_424171 (CHEMBL907862)	Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP levels
50018277	1	ChEMBL_424177 (CHEMBL907251)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP levels
50018277	3	ChEMBL_424173 (CHEMBL906194)	Agonist activity at rat beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP levels
50046130	2	ChEMBL_1505205 (CHEMBL3594790)	Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method
50018280	4	ChEMBL_422337 (CHEMBL908722)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50046130	3	ChEMBL_1505206 (CHEMBL3594791)	Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method
50018280	1	ChEMBL_422343 (CHEMBL908729)	Activity at human MC1R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50018280	6	ChEMBL_422345 (CHEMBL908731)	Activity at human MC5R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation
50046130	4	ChEMBL_1505207 (CHEMBL3594792)	Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA method
50046130	5	ChEMBL_1505248 (CHEMBL3594873)	Inhibition of EPHA2 (unknown origin)
50046130	6	ChEMBL_1505249 (CHEMBL3594874)	Inhibition of TEC (unknown origin)
50046130	7	ChEMBL_1505250 (CHEMBL3594875)	Inhibition of BTK (unknown origin)
50046130	8	ChEMBL_1505251 (CHEMBL3594876)	Inhibition of ITK (unknown origin)
50046130	9	ChEMBL_1505314 (CHEMBL3595082)	Inhibition of SYK (unknown origin)
50046130	10	ChEMBL_1505315 (CHEMBL3595083)	Inhibition of ZAP70 (unknown origin)
50046130	11	ChEMBL_1505316 (CHEMBL3595084)	Inhibition of ABL (unknown origin)
50046130	12	ChEMBL_1505317 (CHEMBL3595085)	Inhibition of CSK (unknown origin)
50046130	13	ChEMBL_1505318 (CHEMBL3595086)	Inhibition of FAK (unknown origin)
50046130	14	ChEMBL_1505319 (CHEMBL3595087)	Inhibition of JNK3 (unknown origin)
50046130	15	ChEMBL_1505320 (CHEMBL3595088)	Inhibition of CDK2/CycA (unknown origin)
50046130	16	ChEMBL_1505321 (CHEMBL3595089)	Inhibition of GSK3beta (unknown origin)
50046130	17	ChEMBL_1505322 (CHEMBL3595090)	Inhibition of CaMK2a (unknown origin)
50046130	18	ChEMBL_1505323 (CHEMBL3595091)	Inhibition of CHK1 (unknown origin)
50046130	19	ChEMBL_1505324 (CHEMBL3595092)	Inhibition of ROCK1 (unknown origin)
50046130	20	ChEMBL_1505325 (CHEMBL3595093)	Inhibition of PKCalpha (unknown origin)
50046130	21	ChEMBL_1505326 (CHEMBL3595094)	Inhibition of PKCtheta (unknown origin)
50046130	22	ChEMBL_1505327 (CHEMBL3595095)	Inhibition of p70S6K (unknown origin)
50046130	23	ChEMBL_1505328 (CHEMBL3595096)	Inhibition of AurC (unknown origin)
50046130	24	ChEMBL_1505329 (CHEMBL3595097)	Inhibition of AKT1 (unknown origin)
50046130	25	ChEMBL_1505330 (CHEMBL3595098)	Inhibition of CK1delta (unknown origin)
50046130	26	ChEMBL_1505331 (CHEMBL3595099)	Inhibition of MEKK1 (unknown origin)
50046130	27	ChEMBL_1505332 (CHEMBL3595100)	Inhibition of MEK1 (unknown origin)
50046130	28	ChEMBL_1505333 (CHEMBL3595101)	Inhibition of RAF1 (unknown origin)
50046130	29	ChEMBL_1505334 (CHEMBL3595102)	Inhibition of MLK1 (unknown origin)
50046130	30	ChEMBL_1505335 (CHEMBL3595103)	Inhibition of BMPR1A (unknown origin)
50046130	31	ChEMBL_1505336 (CHEMBL3595104)	Inhibition of IRAK4 (unknown origin)
50046130	32	ChEMBL_1505247 (CHEMBL3594872)	Inhibition of HER2 (unknown origin)
50046130	33	ChEMBL_1505246 (CHEMBL3594871)	Inhibition of IGF1R (unknown origin)
50046130	34	ChEMBL_1505245 (CHEMBL3594870)	Inhibition of TIE2 (unknown origin)
50046130	35	ChEMBL_1505244 (CHEMBL3594869)	Inhibition of TRKA (unknown origin)
50046130	36	ChEMBL_1505243 (CHEMBL3594868)	Inhibition of EGFR (unknown origin)
50046131	1	ChEMBL_1505358 (CHEMBL3595184)	Inhibition of Amyloid beta (1 to 40) (unknown origin) aggregation assessed as amount of fibrils formation at 100 uM after 2 hrs by thioflavin T based spectrofluorimetric method
50046131	2	ChEMBL_1505359 (CHEMBL3595185)	Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofluorimetric method
50046132	1	ChEMBL_1505557 (CHEMBL3595708)	Inhibition of FLT3 ITD F691L mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5 mins by Western blot analysis
50046132	2	ChEMBL_1505556 (CHEMBL3595707)	Inhibition of FLT3 ITD D835Y mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5 mins by Western blot analysis
50046132	3	ChEMBL_1505555 (CHEMBL3595706)	Inhibition of FLT3 ITD mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5 mins by Western blot analysis
50046132	4	ChEMBL_1505501 (CHEMBL3595512)	Inhibition of wild type FLT3 (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5 mins by Western blot analysis
50046132	5	ChEMBL_1505365 (CHEMBL3595191)	Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptide as substrate after 90 mins by Kinase-Glo assay
50018282	17	ChEMBL_424208 (CHEMBL908982)	Inhibition of human recombinant Src kinase
50018282	4	ChEMBL_424211 (CHEMBL908985)	Inhibition of Lyn
50018282	10	ChEMBL_424214 (CHEMBL908988)	Inhibition of EGFR
50018282	14	ChEMBL_424216 (CHEMBL908990)	Inhibition of Tie2
50018282	13	ChEMBL_424217 (CHEMBL908991)	Inhibition of VEGFR2
50018282	16	ChEMBL_424209 (CHEMBL908983)	Inhibition of Yes
50018282	1	ChEMBL_424220 (CHEMBL908994)	Inhibition of Abl T315I mutant
50018282	5	ChEMBL_424224 (CHEMBL908998)	Inhibition of CSK
50018282	11	ChEMBL_424223 (CHEMBL908997)	Inhibition of PDGFRbeta
50018282	7	ChEMBL_424225 (CHEMBL908999)	Inhibition of p70S6K
50018282	8	ChEMBL_424222 (CHEMBL908996)	Inhibition of Raf1 kinase
50018282	18	ChEMBL_424219 (CHEMBL908993)	Inhibition of Abl
50018282	9	ChEMBL_424213 (CHEMBL908987)	Inhibition of Blk
50018282	3	ChEMBL_424210 (CHEMBL908984)	Inhibition of Lck
50018282	6	ChEMBL_424212 (CHEMBL908986)	Inhibition of Fyn
50018282	15	ChEMBL_424215 (CHEMBL908989)	Inhibition of FGFR1
50018282	2	ChEMBL_424221 (CHEMBL908995)	Inhibition of EphB4
50046132	6	ChEMBL_1505364 (CHEMBL3595190)	Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide as substrate after 120 mins by Kinase-Glo assay
50046132	7	ChEMBL_1505363 (CHEMBL3595189)	Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 peptide as substrate after 4 hrs by Kinase-Glo assay
50046133	1	ChEMBL_1505669 (CHEMBL3594589)	Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by liquid scintillation counting analysis
50046133	2	ChEMBL_1505662 (CHEMBL3596031)	Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by ELISA
50046133	3	ChEMBL_1505664 (CHEMBL3596033)	Agonist activity at human 5-HT1A receptor expressed in CHO cells after 90 mins by beta-arrestin-2 recruitment assay
50046134	1	ChEMBL_1505686 (CHEMBL3594606)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method
50046134	2	ChEMBL_1505685 (CHEMBL3594605)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method
50046134	3	ChEMBL_1505687 (CHEMBL3594607)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method
50018287	1	ChEMBL_424262 (CHEMBL908414)	Displacement of [125I]IL8 from CXCR1 expressed in CHO cells
50018287	2	ChEMBL_424261 (CHEMBL908413)	Displacement of [125I]IL8 from CXCR2 expressed in CHO cells
50046134	4	ChEMBL_1505688 (CHEMBL3594608)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method
50046135	1	ChEMBL_1505691 (CHEMBL3594611)	Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire substarte-based colorimetric analysis
50046135	2	ChEMBL_1505693 (CHEMBL3594613)	Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by multilabel plate reader analysis
50046135	3	ChEMBL_1505695 (CHEMBL3594615)	Inhibition of human DHODH using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 2 mins
50018289	1	ChEMBL_420101 (CHEMBL873743)	Inhibition of Flt-3
50018289	4	ChEMBL_420099 (CHEMBL873741)	Inhibition of CHK2
50046136	1	ChEMBL_1505748 (CHEMBL3594908)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay
50046137	1	ChEMBL_1505756 (CHEMBL3594916)	Inhibition of HDAC6 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by UV-vis spectrophotometer analysis
50046137	2	ChEMBL_1505755 (CHEMBL3594915)	Inhibition of HDAC3 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by UV-vis spectrophotometer analysis
50018289	5	ChEMBL_420106 (CHEMBL873748)	Inhibition of p70 S6 kinase
50046137	3	ChEMBL_1505754 (CHEMBL3594914)	Inhibition of HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by UV-vis spectrophotometer analysis
50046138	1	ChEMBL_1505782 (CHEMBL3595020)	Antagonist activity at rat ghrelin receptor expressed in CHO cells assessed as blocking of human ghrelin-induced response by FLIPR based intracellular Ca2+ mobilization assay
50046138	2	ChEMBL_1505783 (CHEMBL3595021)	Antagonist activity at ghrelin receptor in Sprague-Dawley rat primary pituitary cells assessed as inhibition of ghrelin-induced growth hormone secretion incubated for 15 mins by ELISA method
50046138	3	ChEMBL_1505777 (CHEMBL3595015)	Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method
50046138	4	ChEMBL_1505778 (CHEMBL3595016)	Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method
50018289	2	ChEMBL_420102 (CHEMBL873744)	Inhibition of Aurora
50018289	3	ChEMBL_420105 (CHEMBL873747)	Inhibition of Axl
50046138	5	ChEMBL_1505779 (CHEMBL3595017)	Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay
50046139	1	ChEMBL_1505866 (CHEMBL3595323)	Inhibition of human PTP1B catalytic domain expressed in Escherichia coli assessed as pNPP hydrolysis measured every 30 secs for 15 mins
50046139	2	ChEMBL_1505854 (CHEMBL3595311)	Inhibition of LAR (unknown origin) using pNPP as substrate
50046139	3	ChEMBL_1505852 (CHEMBL3595309)	Inhibition of SHP2 (unknown origin) using pNPP as substrate
50046139	4	ChEMBL_1505850 (CHEMBL3595307)	Inhibition of SHP1 (unknown origin) using pNPP as substrate
50046139	5	ChEMBL_1505847 (CHEMBL3595239)	Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 mins
50046139	6	ChEMBL_1505848 (CHEMBL3595240)	Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins
50046140	1	ChEMBL_1505878 (CHEMBL3595335)	Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298
50046140	2	ChEMBL_1505869 (CHEMBL3595326)	Inhibition of PAK1 (unknown origin)
50046140	3	ChEMBL_1505870 (CHEMBL3595327)	Inhibition of PAK4 (unknown origin)
50046140	4	ChEMBL_1505871 (CHEMBL3595328)	Inhibition of Aurora A (unknown origin)
50046141	1	ChEMBL_1505980 (CHEMBL3595648)	Inhibition of PDE10A (unknown origin)
50018292	1	ChEMBL_402359 (CHEMBL867424)	Activity at ERalpha L384M/M421G/G521R mutant in HeLa cells assessed as activation of SEAP reporter gene
50018292	3	ChEMBL_402356 (CHEMBL867421)	Binding affinity to human ER beta
50018292	5	ChEMBL_402354 (CHEMBL867419)	Binding affinity to human ER alpha
50018292	4	ChEMBL_402355 (CHEMBL867420)	Binding affinity to wild type ERalpha
50018292	2	ChEMBL_402353 (CHEMBL866167)	Binding affinity to ERalpha L384M/M421G mutant
50018293	2	ChEMBL_400868 (CHEMBL868066)	Inhibition of horse serum BChE
50018293	1	ChEMBL_400867 (CHEMBL868065)	Inhibition of electric eel AChE
50018294	6	ChEMBL_403339 (CHEMBL869260)	Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte assessed as inhibition of glutamate-induced current at holding potential -80 mV by two electrode voltage clamp method
50018294	4	ChEMBL_403341 (CHEMBL868048)	Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte assessed as inhibition of glutamate-induced current at holding potential -100 mV by two electrode voltage clamp method
50046142	1	ChEMBL_1505986 (CHEMBL3595654)	Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method
50018294	3	ChEMBL_403340 (CHEMBL868050)	Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte assessed as inhibition of glutamate-induced current at holding potential -60 mV by two electrode voltage clamp method
50046142	2	ChEMBL_1505988 (CHEMBL3595656)	Inhibition of mouse recombinant AChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method
50046143	1	ChEMBL_1506094 (CHEMBL3595960)	Competitive inhibition of mouse LMW-PTP expressed in Escherichia coli using pNPP substrate by Dixon plot
50046143	2	ChEMBL_1506093 (CHEMBL3595959)	Inhibition of PTP1B (unknown origin) using nPP substrate
50046143	3	ChEMBL_1506091 (CHEMBL3595957)	Inhibition of bovine intestinal 5'-nucleotide phosphodiesterase using 4-nitrophenyl phenylphosphonate substrate by spectrophotometry
50046143	4	ChEMBL_1506090 (CHEMBL3595956)	Inhibition of human placental alkaline phosphatase using p-nitrophenyl phosphate substrate
50046144	1	ChEMBL_1506103 (CHEMBL3595969)	Inhibition of human kidney Na(+)/K(+) ATPase alpha-1 assessed as amount of Pi release after 1 hr by colorimetric method
50046145	1	ChEMBL_1504653 (CHEMBL3594743)	Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by fluorogenic substrate addition measured after 30 mins by microplate reader analysis
50018298	1	ChEMBL_403197 (CHEMBL869257)	Inhibition of rat serum BuChE
50018298	2	ChEMBL_403196 (CHEMBL869256)	Inhibition of rat brain AChE
50046146	11	ChEMBL_1504713 (CHEMBL3594849)	Binding affinity to alpha3beta4 nicotine acetylcholine receptor (unknown origin) after 90 mins by radioligand displacement assay
50046146	10	ChEMBL_1504714 (CHEMBL3594850)	Displacement of [3H]-MLA from Sprague-Dawley rat brain alpha7 nicotine acetylcholine receptor after 90 mins by radioligand displacement assay
50046146	8	ChEMBL_1504716 (CHEMBL3594852)	Displacement of [3H]-nicotine from alpha4beta2 nicotine acetylcholine receptor (unknown origin)
50046146	7	ChEMBL_1504717 (CHEMBL3594853)	Displacement of [3H]-methyllycaconitine from alpha7 nicotine acetylcholine receptor in rat brain membranes
50046147	3	ChEMBL_1506134 (CHEMBL3596064)	Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay
50018301	1	ChEMBL_391996 (CHEMBL871066)	Inhibition of human TPase in presence of 100 uM thymidine
50046062	14	ChEMBL_1500550 (CHEMBL3587526)	Binding affinity to 6-His-Thr BRD2 (1 to 473) BD1 (unknown origin) harboring BD2 Y386A mutant
50046062	15	ChEMBL_1500553 (CHEMBL3587529)	Binding affinity to BRD3 6-His-Thr BRD3 (1 to 435) BD2 (unknown origin) harboring BD1 Y37A mutant
50046062	17	ChEMBL_1500560 (CHEMBL3587536)	Inhibition of ATAD2 in human PBMC assessed as inhibition of LPS-stimulated IL-6 release after 18 to 24 hrs
50018303	2	ChEMBL_394468 (CHEMBL873721)	Inhibition of MAO-A in rat liver assessed as inhibition of [14C]5-HT oxidation
50018303	1	ChEMBL_394469 (CHEMBL873722)	Inhibition of MAO-B in rat liver assessed as inhibition of [14C]PEA oxidation in presence of 0.1 uM clorgyline
50018304	4	ChEMBL_393881 (CHEMBL854651)	Agonist activity at human H4 receptor expressed in 293-EBNA cells by luciferase reporter gene assay
50018304	3	ChEMBL_393884 (CHEMBL854655)	Antagonist activity at human H3 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene assay
50018304	10	ChEMBL_393873 (CHEMBL912689)	Displacement of [3H]Nalpha-methylhistamine form human H3 receptor
50018304	2	ChEMBL_393875 (CHEMBL912691)	Displacement of [3H]histamine form human H4 receptor
50018304	5	ChEMBL_393882 (CHEMBL854652)	Antagonist activity at human H1 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene assay
50018304	6	ChEMBL_393879 (CHEMBL854649)	Agonist activity at human H2 receptor expressed in 293-EBNA cells by luciferase reporter gene assay
50018304	9	ChEMBL_393885 (CHEMBL854656)	Antagonist activity at human H4 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene assay
50018304	8	ChEMBL_393878 (CHEMBL854648)	Agonist activity at human H1 receptor expressed in 293-EBNA cells by luciferase reporter gene assay
50018304	7	ChEMBL_393880 (CHEMBL854650)	Agonist activity at human H3 receptor expressed in 293-EBNA cells by luciferase reporter gene assay
50018304	1	ChEMBL_393883 (CHEMBL854654)	Antagonist activity at human H2 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene assay
50046062	21	ChEMBL_1500549 (CHEMBL3587525)	Displacement of I-BET762 from BRD4 (1 to 477) BD2 (unknown origin) harboring BD1 Y97A mutant after 30 mins by TR-FRET analysis
50046062	13	ChEMBL_1500551 (CHEMBL3587527)	Binding affinity to 6-His-Thr BRD2 (1 to 473) BD2 (unknown origin) harboring BD1 Y113A mutant
50046062	23	ChEMBL_1500554 (CHEMBL3587530)	Binding affinity to 6-His-FLAG-Tev-BRDT BD1 (1 to 397) (unknown origin) harboring BD2 Y309A mutant
50046148	1	ChEMBL_1495512 (CHEMBL3579896)	Inhibition of purified mPGES-1 (1 to 152) (unknown origin) extracted from detergent-solubilized baculovirus-infected insect Sf9 cell membranes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by LC/MS analysis
50046148	2	ChEMBL_1495511 (CHEMBL3579895)	Inhibition of recombinant human mPGES-1 expressed in human 293E cell microsomes using PGH2 as substrate assessed as PGE2 production after 2.5 mins by LC/MS analysis
50046149	1	ChEMBL_1495600 (CHEMBL3578338)	Inhibition of BRAF V600E mutant in human A375 cells assessed as inhibition of ERK phosphorylation measured after 72 hrs by ELISA assay
50046149	2	ChEMBL_1495599 (CHEMBL3578337)	Inhibition of wild type CRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in presence of ATP, MEK1, PEP, NADH
50018312	9	ChEMBL_393080 (CHEMBL870431)	Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells at 10 uM
50046149	3	ChEMBL_1495598 (CHEMBL3578336)	Inhibition of wild type BRAF (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in presence of ATP, MEK1, NADH
50018312	7	ChEMBL_393088 (CHEMBL870440)	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTP-gamma-S binding
50018313	2	ChEMBL_424283 (CHEMBL908435)	Inhibition of MMP13
50018313	1	ChEMBL_424298 (CHEMBL910078)	Inhibition of MMP13 in rat plasma
50046149	4	ChEMBL_1495597 (CHEMBL3578335)	Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in presence of ATP, MEK1, NADH
50018316	2	ChEMBL_422072 (CHEMBL907678)	Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay
50018316	1	ChEMBL_422070 (CHEMBL907676)	Inhibition of hERG expressed in HEK cells by whole cell patch clamp assay
50046149	5	ChEMBL_1495602 (CHEMBL3578340)	Inhibition of KDR (unknown origin)
50046149	6	ChEMBL_1495628 (CHEMBL3578499)	Competitive binding affinity to EphA2 in human A375 cells after 15 mins in presence of ATP analogue
50046149	7	ChEMBL_1495629 (CHEMBL3578500)	Competitive binding affinity to ZAK in human A375 cells after 15 mins in presence of ATP analogue
50046149	8	ChEMBL_1495630 (CHEMBL3578501)	Competitive binding affinity to p38 in human A375 cells after 15 mins in presence of ATP analogue
50046149	9	ChEMBL_1495631 (CHEMBL3578502)	Competitive binding affinity to FYN in human A375 cells after 15 mins in presence of ATP analogue
50046149	10	ChEMBL_1495632 (CHEMBL3578503)	Competitive binding affinity to MAP3K1 in human A375 cells after 15 mins in presence of ATP analogue
50046149	11	ChEMBL_1495633 (CHEMBL3578504)	Competitive binding affinity to EphB4 in human A375 cells after 15 mins in presence of ATP analogue
50046149	12	ChEMBL_1495634 (CHEMBL3578505)	Competitive binding affinity to CSK in human A375 cells after 15 mins in presence of ATP analogue
50046149	13	ChEMBL_1495635 (CHEMBL3578506)	Competitive binding affinity to ABL in human A375 cells after 15 mins in presence of ATP analogue
50046149	14	ChEMBL_1495636 (CHEMBL3578507)	Competitive binding affinity to IRAK1 in human A375 cells after 15 mins in presence of ATP analogue
50046149	15	ChEMBL_1495738 (CHEMBL3578901)	Competitive binding affinity to GCN2 in human A375 cells after 15 mins in presence of ATP analogue
50046149	16	ChEMBL_1495740 (CHEMBL3578903)	Competitive binding affinity to MAP2K5 in human A375 cells after 15 mins in presence of ATP analogue
50046149	17	ChEMBL_1495741 (CHEMBL3578904)	Competitive binding affinity to KHS1 in human A375 cells after 15 mins in presence of ATP analogue
50046149	18	ChEMBL_1495742 (CHEMBL3578905)	Competitive binding affinity to SRC in human A375 cells after 15 mins in presence of ATP analogue
50018319	2	ChEMBL_422109 (CHEMBL907685)	Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay
50018319	3	ChEMBL_422108 (CHEMBL907684)	Inhibition of hERG expressed in HEK cells by whole cell patch clamp assay
50046149	19	ChEMBL_1495743 (CHEMBL3578906)	Competitive binding affinity to ARAF in human A375 cells after 15 mins in presence of ATP analogue
50018320	1	ChEMBL_424350 (CHEMBL909553)	Inhibition of human liver GPa in presence of glucose
50018320	2	ChEMBL_424351 (CHEMBL909554)	Inhibition of human liver GPa in absence of glucose
50018322	2	ChEMBL_424357 (CHEMBL909560)	Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells
50018322	1	ChEMBL_424358 (CHEMBL909561)	Binding potency at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50018323	1	ChEMBL_424360 (CHEMBL909563)	Inhibition of recombinant human liver GPa by multienzyme coupled assay
50046149	20	ChEMBL_1495744 (CHEMBL3578907)	Competitive binding affinity to BRAF in human A375 cells after 15 mins in presence of ATP analogue
50046149	21	ChEMBL_1495745 (CHEMBL3578908)	Competitive binding affinity to CRAF in human A375 cells after 15 mins in presence of ATP analogue
50046150	1	ChEMBL_1495907 (CHEMBL3579718)	Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay
50018326	2	ChEMBL_424371 (CHEMBL911302)	Inhibition of AChE
50018326	1	ChEMBL_424372 (CHEMBL911303)	Inhibition of BChE
50018329	1	ChEMBL_424391 (CHEMBL911322)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50018332	2	ChEMBL_424407 (CHEMBL910685)	Activity at mu opioid receptor by guinea pig ileum assay
50018332	1	ChEMBL_424406 (CHEMBL911337)	Activity at delta opioid receptor assessed as inhibition of muscle contraction in mouse vas deferens assay
50018332	3	ChEMBL_424404 (CHEMBL911335)	Displacement of [3H]deltorphin II from delta opioid receptor in rat synaptosomes P2 fraction
50018332	4	ChEMBL_424403 (CHEMBL911334)	Displacement of [3H]DAMGO from mu opioid receptor in rat synaptosomes P2 fraction
50018334	1	ChEMBL_424419 (CHEMBL910697)	Inhibition of human recombinant soluble epoxide hydrolase by kinetic fluorescent assay
50018335	1	ChEMBL_422064 (CHEMBL907690)	Inhibition of Kv1.5
50018337	1	ChEMBL_424424 (CHEMBL910703)	Displacement of [125I]neurokinin B from human cloned NK3 receptor expressed in CHO cells
50018337	6	ChEMBL_424434 (CHEMBL910713)	Inhibition of human NK2 receptor
50018337	9	ChEMBL_424431 (CHEMBL910710)	Activity at human NK3 receptor expressed in CHO cells assessed as increase in inositol phosphate generation
50018337	3	ChEMBL_424425 (CHEMBL910704)	Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells
50018337	7	ChEMBL_424433 (CHEMBL910712)	Inhibition of human NK1 receptor
50018337	4	ChEMBL_424439 (CHEMBL910717)	Inhibition of CYP2D6 in human liver microsomes
50018337	8	ChEMBL_424432 (CHEMBL910711)	Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of inositol phosphate generation
50018337	5	ChEMBL_424440 (CHEMBL910718)	Inhibition of CYP3A4 in human liver microsomes
50018337	2	ChEMBL_424438 (CHEMBL910702)	Inhibition of CYP2C9 in human liver microsomes
50046151	1	ChEMBL_1495908 (CHEMBL3579719)	Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay
50046151	2	ChEMBL_1495909 (CHEMBL3579720)	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay
50018347	1	ChEMBL_395911 (CHEMBL910328)	Inhibition of human MetAP2
50018348	3	ChEMBL_396484 (CHEMBL911538)	Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA
50018348	1	ChEMBL_396483 (CHEMBL911537)	Transactivation of human PPARalpha in CV1 cells by luciferase reporter gene assay
50018348	5	ChEMBL_396486 (CHEMBL911540)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA
50018348	4	ChEMBL_396485 (CHEMBL911539)	Transactivation of human PPARgamma in CV1 cells by luciferase reporter gene assay
50018348	6	ChEMBL_396487 (CHEMBL911541)	Transactivation of human PPARdelta in CV1 cells by luciferase reporter gene assay
50018348	2	ChEMBL_396482 (CHEMBL911536)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARalpha by SPA
50018349	4	ChEMBL_395699 (CHEMBL909207)	Inhibition of [3H]NMS binding to human cloned M1 receptor expressed in CHO cells
50018349	2	ChEMBL_395700 (CHEMBL909208)	Inhibition of [3H]NMS binding to human cloned M2 receptor expressed in CHO cells
50018349	3	ChEMBL_395702 (CHEMBL909210)	Inhibition of [3H]NMS binding to human cloned M5 receptor expressed in CHO cells
50018349	5	ChEMBL_395698 (CHEMBL909206)	Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells
50018349	1	ChEMBL_395701 (CHEMBL909209)	Inhibition of [3H]NMS binding to human cloned M4 receptor expressed in CHO cells
50018351	17	ChEMBL_396625 (CHEMBL853498)	Inhibition of p38-alpha by HTRF kinase assay
50018351	6	ChEMBL_396653 (CHEMBL871546)	Inhibition of JNK3 by HTRF kinase assay
50018351	12	ChEMBL_396621 (CHEMBL913225)	Inhibition of Lck by HTRF kinase assay
50018351	20	ChEMBL_396644 (CHEMBL871538)	Inhibition of Syk by HTRF kinase assay
50018351	18	ChEMBL_396626 (CHEMBL853499)	Inhibition of Jak3 by HTRF kinase assay
50018351	7	ChEMBL_396652 (CHEMBL871545)	Inhibition of JNK2 by HTRF kinase assay
50018351	2	ChEMBL_396657 (CHEMBL871550)	Inhibition of PKAbeta by HTRF kinase assay
50018351	15	ChEMBL_396624 (CHEMBL853495)	Inhibition of KDR by HTRF kinase assay
50018351	11	ChEMBL_396646 (CHEMBL871540)	Inhibition of Itk by HTRF kinase assay
50018351	13	ChEMBL_396649 (CHEMBL871542)	Inhibition of MSK1 by HTRF kinase assay
50018351	8	ChEMBL_396651 (CHEMBL871544)	Inhibition of JNK1 by HTRF kinase assay
50018351	5	ChEMBL_396654 (CHEMBL871547)	Inhibition of Aurora1 by HTRF kinase assay
50018351	10	ChEMBL_396647 (CHEMBL853494)	Inhibition of Btk by HTRF kinase assay
50018351	19	ChEMBL_396645 (CHEMBL871539)	Inhibition of Tyk2 by HTRF kinase assay
50018351	9	ChEMBL_396650 (CHEMBL871543)	Inhibition of Pak2 by HTRF kinase assay
50018351	14	ChEMBL_396648 (CHEMBL871541)	Inhibition of CDK5 by HTRF kinase assay
50018351	16	ChEMBL_396643 (CHEMBL871537)	Inhibition of Src by HTRF kinase assay
50018351	3	ChEMBL_396656 (CHEMBL871549)	Inhibition of PKBalpha by HTRF kinase assay
50018351	1	ChEMBL_396658 (CHEMBL871551)	Inhibition of Zap70 by HTRF kinase assay
50018352	3	ChEMBL_399840 (CHEMBL910859)	Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase in presence of 6.17 mM glycogen and phosphate
50018352	5	ChEMBL_399838 (CHEMBL910317)	Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase in presence of phosphate
50018352	1	ChEMBL_399834 (CHEMBL910309)	Inhibition of phosphorylated form of rabbit muscle glycogen phosphorylase
50018352	2	ChEMBL_399835 (CHEMBL910310)	Inhibition of phosphorylated form of rat liver glycogen phosphorylase
50018352	7	ChEMBL_399836 (CHEMBL910311)	Inhibition of phosphorylated form of pig liver glycogen phosphorylase
50018352	4	ChEMBL_399833 (CHEMBL910308)	Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase
50018352	6	ChEMBL_399839 (CHEMBL910318)	Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase in presence of glycogen and 45 mM phosphate
50046151	3	ChEMBL_1495910 (CHEMBL3579721)	Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay
50018356	2	ChEMBL_399772 (CHEMBL910307)	Inhibition of HIV1 protease I8 mutant
50018356	1	ChEMBL_399771 (CHEMBL910306)	Inhibition of wild type HIV1 protease
50018357	3	ChEBML_398435	Inhibition of human thrombin
50018357	4	ChEMBL_398436 (CHEMBL908015)	Inhibition of mouse uPA
50018357	2	ChEBML_398430	Inhibition of human uPA
50018357	5	ChEBML_398431	Inhibition of human plasmin
50018357	7	ChEMBL_398433 (CHEMBL908012)	Inhibition of bovine F10a
50018357	6	ChEBML_398432	Inhibition of recombinant tPA
50018357	1	ChEBML_398439	Inhibition of bovine F10a at 250 uM
50018358	4	ChEMBL_399259 (CHEMBL908600)	Displacement of (+/-)-[125I]DOI from rat cloned 5HT2A receptor
50018358	2	ChEMBL_399260 (CHEMBL908601)	Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of phospholipase C-mediated IP production
50018358	3	ChEMBL_399267 (CHEMBL911486)	Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of 2-arachidonylglycerol production
50018358	5	ChEMBL_399258 (CHEMBL855891)	Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor
50018358	1	ChEMBL_399262 (CHEMBL909195)	Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of arachidonic acid release
50018363	1	ChEMBL_424566 (CHEMBL913646)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor
50018363	2	ChEMBL_424567 (CHEMBL913647)	Displacement of [3H]DPCPX from recombinant adenosine A1 receptor
50018364	2	ChEMBL_424570 (CHEMBL853921)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells
50018364	3	ChEMBL_424571 (CHEMBL853922)	Binding affinity to rat 5HT2A receptor
50018364	1	ChEMBL_424572 (CHEMBL853923)	Binding affinity to 5HT2C receptor
50018365	2	ChEMBL_424574 (CHEMBL853925)	Inhibition of JNK1 by ATF2 phosphorylation assay
50018365	3	ChEMBL_424575 (CHEMBL853926)	Inhibition of JNK2 by ATF2 phosphorylation assay
50018367	5	ChEMBL_424582 (CHEMBL853933)	Inhibition of 5HT3 receptor
50018367	1	ChEMBL_424591 (CHEMBL853941)	Inhibition of CYP2C9
50018367	4	ChEMBL_424592 (CHEMBL853943)	Inhibition of CYP2C19
50018367	3	ChEMBL_424586 (CHEMBL853937)	Binding affinity to p38alpha
50018370	4	ChEMBL_424616 (CHEMBL855678)	Agonist activity at human PPAR gamma in a HepG2 cells by PPAR-GAL4 transactivation assay
50018370	3	ChEMBL_424617 (CHEMBL855679)	Agonist activity at human PPAR alpha in a HepG2 cells by PPAR-GAL4 transactivation assay
50018370	2	ChEMBL_424612 (CHEMBL853963)	Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay
50018370	1	ChEMBL_424613 (CHEMBL853964)	Displacement of radiolabeled GW-2331 from human PPAR alpha by SPA binding assay
50018371	1	ChEMBL_424645 (CHEMBL855706)	Inhibition of Tpl2 kinase by ELISA
50018372	1	ChEMBL_424666 (CHEMBL855116)	Inhibition of human recombinant ACC1
50018376	2	ChEMBL_424734 (CHEMBL907886)	Inhibition of pig HPPD
50018376	1	ChEMBL_424735 (CHEMBL907887)	Inhibition of rat DHODH
50018377	3	ChEMBL_424737 (CHEMBL907889)	Displacement of radiolabeled GW-2331 from human PPAR alpha by SPA assay
50018377	1	ChEMBL_424740 (CHEMBL907892)	Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay
50018377	2	ChEMBL_424739 (CHEMBL907891)	Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay
50018377	4	ChEMBL_424736 (CHEMBL907888)	Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay
50046152	1	ChEMBL_1495915 (CHEMBL3579726)	Binding affinity to Escherichia coli DNA sliding clamp protein at 298K by isothermal titration calorimetry
50046152	2	ChEMBL_1495912 (CHEMBL3579723)	Inhibition of Escherichia coli DNA sliding clamp protein using N-fluorescein (FAM)-QLDLF-OH tracer by fluorescence polarization assay
50046153	4	ChEMBL_1495931 (CHEMBL3579742)	Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 5.0 by standard whole cell patch clamp assay
50046153	5	ChEMBL_1495930 (CHEMBL3579741)	Inhibition of human ASIC1a endogenously expressed in HEK293 cells clamped at -100 mV gated ionic current at pH 6.7 by standard whole cell patch clamp assay
50046032	2	ChEMBL_1499012 (CHEMBL3584507)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulation of calcium release by Fluo-4 AM dye-based fluorescence assay
50046032	6	ChEMBL_1498898 (CHEMBL3584105)	Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis
50046032	4	ChEMBL_1499015 (CHEMBL3584510)	Agonist activity at human recombinant delta opioid receptor expressed in CHO cells co-expressing Galphaq66Di5 assessed as stimulation of calcium release by Fluo-4 AM dye-based fluorescence assay
50046032	3	ChEMBL_1498896 (CHEMBL3583976)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis
50046032	7	ChEMBL_1499018 (CHEMBL3584513)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulation of calcium release by Fluo-4 AM dye-based fluorescence assay
50025034	1	ChEMBL_526495 (CHEMBL975646)	Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane
50018386	1	ChEMBL_424825 (CHEMBL908452)	Inhibition of Akt1 activity assessed as decrease in GSK3 phosphorylation
50046154	1	ChEMBL_1499041 (CHEMBL3584638)	Inhibition of APC (unknown origin)
50046154	2	ChEMBL_1499040 (CHEMBL3584637)	Inhibition of urokinase (unknown origin)
50046154	3	ChEMBL_1499039 (CHEMBL3584636)	Inhibition of tPA (unknown origin)
50046154	4	ChEMBL_1499037 (CHEMBL3584634)	Inhibition of tissue kallikrein (unknown origin)
50046154	5	ChEMBL_1499036 (CHEMBL3584633)	Inhibition of plasma kallikrein (unknown origin)
50046154	6	ChEMBL_1499035 (CHEMBL3584632)	Inhibition of trypsin (unknown origin)
50046154	7	ChEMBL_1499034 (CHEMBL3584529)	Inhibition of thrombin (unknown origin)
50046154	8	ChEMBL_1499033 (CHEMBL3584528)	Inhibition of coagulation factor 12a (unknown origin)
50046154	9	ChEMBL_1499032 (CHEMBL3584527)	Inhibition of coagulation factor 9a (unknown origin)
50046154	10	ChEMBL_1499031 (CHEMBL3584526)	Inhibition of coagulation factor 10a (unknown origin)
50046154	11	ChEMBL_1499030 (CHEMBL3584525)	Inhibition of coagulation factor 7a (unknown origin)
50046154	12	ChEMBL_1499026 (CHEMBL3584521)	Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometry
50046154	13	ChEMBL_1499047 (CHEMBL3584644)	Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis at 37 degC by spectrophotometry
50046155	1	ChEMBL_1499063 (CHEMBL3584660)	Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production after 24 hrs by ELISA
50046155	2	ChEMBL_1499195 (CHEMBL3582584)	Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay
50046156	1	ChEMBL_1499202 (CHEMBL3582591)	Inhibition of DPP4 extracted from human Caco2 cells using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay
50018391	4	ChEMBL_424849 (CHEMBL907399)	Inhibition of mouse 11beta-HSD2 assessed as cortisol disappearance by SPA
50018391	1	ChEMBL_424846 (CHEMBL907396)	Inhibition of human truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA
50018391	5	ChEMBL_424850 (CHEMBL907400)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of cortisol formation by fluorescent polarization immunoassay
50018391	2	ChEMBL_424847 (CHEMBL907397)	Inhibition of mouse truncated 11beta-HSD1 assessed as inhibition of radiolabeled cortisone to cortisol conversion by SPA
50018391	3	ChEMBL_424848 (CHEMBL907398)	Inhibition of human 11beta-HSD2 assessed as cortisol disappearance by SPA
50018401	3	ChEMBL_424915 (CHEMBL908547)	Inhibition of human recombinant Lck by ProFlour assay
50018401	2	ChEMBL_424917 (CHEMBL908549)	Inhibition of human recombinant Src by ProFlour assay
50018401	1	ChEMBL_424916 (CHEMBL908548)	Inhibition of human recombinant Hck by ProFlour assay
50018406	1	ChEMBL_424955 (CHEMBL911362)	Inhibition of PM2 by FRET assay
50018409	1	ChEMBL_424969 (CHEMBL910725)	Inhibition of Eimeria tenella PKG
50018410	1	ChEMBL_424982 (CHEMBL910739)	Binding affinity to ERK2 by fluorescence quenching
50018414	2	ChEMBL_425005 (CHEMBL912530)	Inhibition of rat 11beta-HSD1
50018414	4	ChEMBL_425007 (CHEMBL911427)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells by fluorescence polarization immuno-assay
50018414	5	ChEMBL_425008 (CHEMBL911428)	Inhibition of rat 11beta-HSD2
50018414	1	ChEMBL_425006 (CHEMBL911426)	Inhibition of human 11beta-HSD2 by SPA
50018414	3	ChEMBL_425004 (CHEMBL912529)	Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA
50046156	2	ChEMBL_1499215 (CHEMBL3582604)	Inhibition of human recombinant DPP8 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay
50046156	3	ChEMBL_1499216 (CHEMBL3582605)	Inhibition of human recombinant DPP9 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay
50046156	4	ChEMBL_1499217 (CHEMBL3582606)	Inhibition of human ERG channel
50046157	1	ChEMBL_1499222 (CHEMBL3582611)	Inhibition of SIRT2 (unknown origin)
50046157	2	ChEMBL_1499224 (CHEMBL3582613)	Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical assay
50046158	1	ChEMBL_1499249 (CHEMBL3582891)	Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by DTNB coupled assay
50046159	1	ChEMBL_1499376 (CHEMBL3583705)	Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by bioluminescence resonance energy transfer assay
50018417	1	ChEMBL_415682 (CHEMBL853846)	Displacement of [3H]SR-141716 from human CB1 receptor expressed in HEK293 cells
50018417	3	ChEMBL_415681 (CHEMBL853845)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50018417	2	ChEMBL_415683 (CHEMBL853847)	Displacement of [3H]WIN-55212-2 from human CB1 receptor expressed in HEK293 cells
50046160	1	ChEMBL_1499402 (CHEMBL3583837)	Displacement of [3H]8-OH DPAT from rat 5HT1A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50046160	2	ChEMBL_1499403 (CHEMBL3583838)	Displacement of [3H]DOB from rat 5HT2A receptor expressed in mouse NIH/3T3 cells after 30 mins by liquid scintillation counting analysis
50046160	3	ChEMBL_1499414 (CHEMBL3583849)	Agonist activity at human recombinant melatonin receptor-2 expressed in CHO cells assessed as decrease of cAMP level after 10 mins by HTRF assay
50046160	4	ChEMBL_1499416 (CHEMBL3583851)	Agonist activity at human recombinant melatonin receptor-1 expressed in CHO cells assessed as effect on impedance by cellular dielectric spectroscopy
50046160	5	ChEMBL_1499384 (CHEMBL3583713)	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins
50046160	6	ChEMBL_1499385 (CHEMBL3583714)	Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins
50046160	7	ChEMBL_1499387 (CHEMBL3583716)	Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay
50046160	8	ChEMBL_1499389 (CHEMBL3583718)	Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay
50018421	1	ChEMBL_414256 (CHEMBL908330)	Inhibition of MurB activity
50018423	3	ChEMBL_416717 (CHEMBL909983)	Inhibition of maize HD2
50018423	2	ChEMBL_416725 (CHEMBL908971)	Inhibition of mouse HDAC1
50018423	1	ChEMBL_416719 (CHEMBL909985)	Inhibition of maize HD1B
50046161	1	ChEMBL_1499557 (CHEMBL3584415)	Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50046161	2	ChEMBL_1499588 (CHEMBL3584534)	Inhibition of aurora A (unknown origin)
50046161	3	ChEMBL_1499595 (CHEMBL3584541)	Inhibition of N-terminal His6-tagged human recombinant PAK4 (300 to 591 amino acids) using peptide-7 substrate by pyruvate kinase and lactate dehydrogenase coupled assay
50046161	4	ChEMBL_1499589 (CHEMBL3584535)	Inhibition of PAK1 (unknown origin)
50046161	5	ChEMBL_1499594 (CHEMBL3584540)	Inhibition of PAK1 (unknown origin) using Syntide2 peptide substrate by pyruvate kinase and lactate dehydrogenase coupled assay
50046161	6	ChEMBL_1499590 (CHEMBL3584536)	Inhibition of human PAK4
50046161	7	ChEMBL_1499558 (CHEMBL3584416)	Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50046161	8	ChEMBL_1499560 (CHEMBL3584418)	Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay
50018425	2	ChEMBL_415083 (CHEMBL912398)	Inhibition of Trypanosoma brucei brucei recombinant 24-SMT
50018425	1	ChEMBL_415082 (CHEMBL912396)	Inhibition of Leishmania major recombinant 24-SMT
50046162	1	ChEMBL_1499749 (CHEMBL3585198)	Inhibition of PKAalpha (1 to 351 amino acids) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase/lactate dehydrogenase coupled assay
50046162	2	ChEMBL_1499751 (CHEMBL3585200)	Inhibition of CYP3A4 (unknown origin)
50046162	3	ChEMBL_1499752 (CHEMBL3585201)	Inhibition of CYP1A2 (unknown origin)
50046162	4	ChEMBL_1499753 (CHEMBL3585202)	Inhibition of CYP2C9 (unknown origin)
50046162	5	ChEMBL_1499754 (CHEMBL3585203)	Inhibition of CYP2C19 (unknown origin)
50046162	6	ChEMBL_1499755 (CHEMBL3585204)	Inhibition of CYP2D6 (unknown origin)
50046162	7	ChEMBL_1499769 (CHEMBL3585218)	Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase coupled assay
50046162	8	ChEMBL_1499748 (CHEMBL3585197)	Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed by ATP addition by pyruvate kinase/lactate dehydrogenase coupled assay
50046053	24	ChEMBL_1501741 (CHEMBL3587721)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50046053	15	ChEMBL_1501736 (CHEMBL3587716)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50046053	19	ChEMBL_1501723 (CHEMBL3587703)	Binding affinity to rat OX2 receptor
50046053	21	ChEMBL_1501893 (CHEMBL3588151)	Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-((3H)-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2 receptor expressed in CHO cell membranes after 3 hrs by scintillation counting analysis
50046053	27	ChEMBL_1501740 (CHEMBL3587720)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50046053	16	ChEMBL_1501738 (CHEMBL3587718)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis
50018431	4	ChEMBL_425035 (CHEMBL912556)	Activity at human PPARalpha in CV1 cells
50018431	1	ChEMBL_425030 (CHEMBL912551)	Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma
50018431	3	ChEMBL_425034 (CHEMBL912555)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from hPPARalpha
50018431	2	ChEMBL_425031 (CHEMBL912552)	Activity at human PPARgamma in CV1 cells
50018435	1	ChEMBL_431878 (CHEMBL915961)	Inhibition of human serum BuChE
50018435	2	ChEMBL_431877 (CHEMBL915960)	Inhibition of human erythrocyte AchE
50018436	1	ChEMBL_431881 (CHEMBL915964)	Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase
50018437	1	ChEMBL_431883 (CHEMBL915966)	Inhibition of human alpha thrombin
50018440	1	ChEMBL_425044 (CHEMBL910805)	Inhibition of Jnk2alpha2
50018441	1	ChEMBL_421994 (CHEMBL907083)	Inhibition of Kv1.5 expressed in LTK- cells by whole cell patch clamp assay
50018442	1	ChEMBL_425046 (CHEMBL910807)	Inhibition of NF-kappaB in human HEK293 cells
50046053	17	ChEMBL_1501737 (CHEMBL3587717)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50046163	1	ChEMBL_1501913 (CHEMBL3588253)	Inhibition of BTK in human Raji cells after 30 mins by HTRF assay
50046163	2	ChEMBL_1501910 (CHEMBL3588250)	Inhibition of human recombinant TNK2 by LanthaScreen Binding assay
50046163	3	ChEMBL_1501909 (CHEMBL3588249)	Inhibition of human recombinant LIMK1 by LanthaScreen Binding assay
50046163	4	ChEMBL_1501908 (CHEMBL3588248)	Inhibition of human recombinant ALK2 by LanthaScreen Binding assay
50046163	5	ChEMBL_1501898 (CHEMBL3588238)	Inhibition of Lck (unknown origin)
50046163	6	ChEMBL_1501897 (CHEMBL3588237)	Inhibition of BTK autophosphorylation in human Raji cells after 30 mins by Phos-Y223 Btk HTRF assay
50046163	7	ChEMBL_1501940 (CHEMBL3588280)	Inhibition of human recombinant Fgr
50046163	8	ChEMBL_1501939 (CHEMBL3588279)	Inhibition of human recombinant Tec
50046163	9	ChEMBL_1501938 (CHEMBL3588278)	Inhibition of human recombinant Itk
50046163	10	ChEMBL_1501937 (CHEMBL3588277)	Inhibition of human recombinant Btk
50046163	11	ChEMBL_1501936 (CHEMBL3588276)	Inhibition of human recombinant Bmx
50046163	12	ChEMBL_1501935 (CHEMBL3588275)	Inhibition of human recombinant Blk
50046163	13	ChEMBL_1501941 (CHEMBL3588281)	Inhibition of human recombinant Frk
50046163	14	ChEMBL_1501943 (CHEMBL3588283)	Inhibition of human recombinant Hck
50046163	15	ChEMBL_1501944 (CHEMBL3588351)	Inhibition of human recombinant LynA
50046163	16	ChEMBL_1501945 (CHEMBL3588352)	Inhibition of human recombinant LynB
50046163	17	ChEMBL_1501946 (CHEMBL3588353)	Inhibition of human recombinant Src
50046164	1	ChEMBL_1502073 (CHEMBL3586886)	Inhibition of human METAP2 using Met-Pro-Arg-pNa substrate by para-nitroanilide chromophore release detection assay
50046165	1	ChEMBL_1502091 (CHEMBL3586966)	Inhibition of aurora kinase B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence analysis
50046165	2	ChEMBL_1502090 (CHEMBL3586965)	Inhibition of aurora kinase A autophosphorylation at T288 in human HCT116 cells by immunofluorescence analysis
50046165	3	ChEMBL_1502089 (CHEMBL3586964)	Inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells using biotin-GLRRASLG as substrate in presence of [gamma-33P]ATP
50018449	4	ChEMBL_452966 (CHEMBL902111)	Inhibition of IKK2
50018449	9	ChEMBL_452964 (CHEMBL902109)	Inhibition of ErbB2
50018449	10	ChEMBL_452963 (CHEMBL902108)	Inhibition of CDK2
50018449	2	ChEMBL_452959 (CHEMBL902104)	Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method
50018449	1	ChEMBL_452968 (CHEMBL902113)	Inhibition of PLK1
50018449	8	ChEMBL_452965 (CHEMBL902110)	Inhibition of GSK3b
50018449	7	ChEMBL_452960 (CHEMBL902105)	Inhibition of human EphB4 by scintillation proximity method
50018449	11	ChEMBL_452962 (CHEMBL902107)	Inhibition of Akt3
50018449	3	ChEMBL_452967 (CHEMBL902112)	Inhibition of MAPKAPK2
50018449	5	ChEMBL_452958 (CHEMBL902103)	Inhibition of human recombinant GST-Tie2 by HTRF method
50046165	4	ChEMBL_1502098 (CHEMBL3586973)	Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)
50018450	3	ChEMBL_452972 (CHEMBL902117)	Inhibition of MMP3
50018450	1	ChEMBL_452969 (CHEMBL902114)	Inhibition of porcine TACE
50018450	8	ChEMBL_452975 (CHEMBL902120)	Inhibition of MMP12
50018450	4	ChEMBL_452971 (CHEMBL902116)	Inhibition of MMP2
50018450	6	ChEMBL_452973 (CHEMBL902118)	Inhibition of MMP7
50018450	2	ChEMBL_452970 (CHEMBL902115)	Inhibition of MMP1
50018450	7	ChEMBL_452976 (CHEMBL902121)	Inhibition of MMP13
50018452	5	ChEMBL_425063 (CHEMBL911961)	Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells
50018452	4	ChEMBL_425064 (CHEMBL911962)	Inhibition of CGRP-induced cAMP production in E10 cells
50018452	2	ChEMBL_425078 (CHEMBL911975)	Inhibition of CYP3A4
50018452	3	ChEMBL_425080 (CHEMBL911977)	Inhibition of CYP2D6
50018452	1	ChEMBL_425079 (CHEMBL911976)	Inhibition of CYP2C9
50046165	5	ChEMBL_1502097 (CHEMBL3586972)	Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATP
50018459	1	ChEMBL_453026 (CHEMBL902173)	Antagonist activity at progesterone receptor expressed in T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50018460	1	ChEMBL_431897 (CHEMBL917395)	Displacement of [3H]DPCPX from bovine cerebral cortex adenosine A1 receptor
50018462	1	ChEMBL_416888 (CHEMBL909444)	Displacement of FAM-Bid from human Bcl2 by FP assay
50018462	3	ChEMBL_416891 (CHEMBL909447)	Displacement of FAM-Bid from human Mcl1 by FP assay
50018462	4	ChEMBL_416889 (CHEMBL909445)	Binding affinity to human Bcl2 by ELISA
50018462	2	ChEMBL_416890 (CHEMBL909446)	Displacement of FAM-Bak from human Bcl-xL by FP assay
50018465	3	ChEMBL_411200 (CHEMBL907220)	Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cells
50018465	13	ChEMBL_411204 (CHEMBL907224)	Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells
50018465	6	ChEMBL_411207 (CHEMBL907227)	Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cells
50018465	9	ChEMBL_411202 (CHEMBL907222)	Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells
50018465	8	ChEMBL_411209 (CHEMBL907229)	Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells
50018465	10	ChEMBL_411203 (CHEMBL907223)	Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cells
50018465	5	ChEMBL_411206 (CHEMBL907226)	Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cells
50018465	11	ChEMBL_411226 (CHEMBL910612)	Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells
50018465	1	ChEMBL_411210 (CHEMBL907230)	Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cells
50018465	2	ChEMBL_411201 (CHEMBL907221)	Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells
50018465	14	ChEMBL_411205 (CHEMBL907225)	Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cells
50018465	7	ChEMBL_411208 (CHEMBL907228)	Displacement of [His5, D-Tyr6]GnRH from GnRHR H306E mutant expressed in COS7 cells
50018465	4	ChEMBL_411211 (CHEMBL907231)	Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells
50018465	12	ChEMBL_411225 (CHEMBL908389)	Displacement of [125I]-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells
50018467	1	ChEMBL_415565 (CHEMBL853838)	Inhibition of murine macrophage iNOS
50018467	2	ChEMBL_415566 (CHEMBL853839)	Inhibition of bovine eNOS
50018467	3	ChEMBL_415564 (CHEMBL853837)	Inhibition of rat nNOS
50018474	2	ChEMBL_406590 (CHEMBL907694)	Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells
50018474	3	ChEMBL_406588 (CHEMBL856624)	Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells
50018475	1	ChEMBL_418718 (CHEMBL913512)	Displacement of [125I]CCK-8S from human CCK1R
50018475	2	ChEMBL_418719 (CHEMBL912951)	Displacement of [125I]CCK-8S from human CCK2R
50046166	1	ChEMBL_1501558 (CHEMBL3587096)	Inhibition of human recombinant MAO-B using benzylamine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluorescence plate reader analysis
50046166	2	ChEMBL_1501557 (CHEMBL3587095)	Inhibition of human recombinant MAO-A using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluorescence plate reader analysis
50046167	1	ChEMBL_1501584 (CHEMBL3587234)	Inhibition of human recombinant PDE4D3 expressed in baculoviral system using cAMP as substrate by fluorescence polarization assay
50046081	4	ChEMBL_1500296 (CHEMBL3588720)	Inverse agonist activity at rat ghrelin receptor by inositol phosphate turnover assay
50046081	5	ChEMBL_1500295 (CHEMBL3588719)	Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by inositol phosphate turnover assay
50046081	6	ChEMBL_1500304 (CHEMBL3588615)	Antagonist activity against ghrelin receptor (unknown origin) expressed in CHO cells assessed as inhibition of ghrelin-induced calcium response
50046168	1	ChEMBL_1500450 (CHEMBL3587275)	Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins
50018477	5	ChEMBL_417941 (CHEMBL912401)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50018477	2	ChEMBL_417945 (CHEMBL912405)	Activity at human D2L dopamine receptor expressed in HEK293 cells by calcium fluorescence assay
50018477	3	ChEMBL_417939 (CHEMBL908356)	Displacement of [3H]SCH 23390 from human D1 dopamine receptor expressed in HEK293 cells
50018477	4	ChEMBL_417940 (CHEMBL908321)	Displacement of [3H]spiperone from human D2L dopamine receptor expressed in CHO cells
50018477	6	ChEMBL_417942 (CHEMBL912402)	Displacement of [3H]spiperone from human D4 dopamine receptor expressed in CHO cells
50018477	7	ChEMBL_417943 (CHEMBL912403)	Displacement of [3H]SCH 23390 from human D5 dopamine receptor expressed in HEK293 cells
50018477	8	ChEMBL_417944 (CHEMBL912404)	Activity at human D1 dopamine receptor expressed in HEK293 cells by calcium fluorescence assay
50018477	1	ChEMBL_417946 (CHEMBL912406)	Activity at human D5 dopamine receptor expressed in HEK293 cells by calcium fluorescence assay
50046169	1	ChEMBL_1500453 (CHEMBL3587278)	Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
50018479	2	ChEMBL_418543 (CHEMBL913511)	Activity at human PPAR gamma in Huh7 cells by transactivation assay
50018479	3	ChEMBL_418541 (CHEMBL911801)	Activity at human PPAR alpha in Huh7 cells by transactivation assay
50018479	1	ChEMBL_418542 (CHEMBL913510)	Activity at human PPAR delta in Huh7 cells by transactivation assay
50046170	1	ChEMBL_1500616 (CHEMBL3587746)	Inhibition of Wistar rat kidney Na+,K+-ATPase alpha1 after 2 hrs
50046170	2	ChEMBL_1500496 (CHEMBL3587396)	Inhibition of Wistar rat heart SERCA2a after 1 hr
50046170	3	ChEMBL_1500495 (CHEMBL3587395)	Inhibition of Wistar rat EDL muscle SERCA1a after 1 hr
50046170	4	ChEMBL_1500494 (CHEMBL3587394)	Binding affinity to rabbit skeletal muscle SERCA1a preincubated for 5 mins followed by Mg-ATP addition measured over 6 mins by spectrophotometric analysis
50046170	5	ChEMBL_1500621 (CHEMBL3587751)	Binding affinity to rabbit hind leg muscle SERCA1a by pyruvate kinase and lactate dehydrogenase coupled assay
50046171	1	ChEMBL_1500622 (CHEMBL3587752)	Inhibition of HSP27 (unknown origin) by insulin aggregation assay
50046082	1	ChEMBL_1504347 (CHEMBL3592684)	Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in presence of probenecid
50046082	4	ChEMBL_1504342 (CHEMBL3592565)	Agonist activity at human FPR1 transfected in human HL60 cells assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay
50046082	3	ChEMBL_1504343 (CHEMBL3592680)	Agonist activity at human FPR2 transfected in human HL60 cells assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay
50046082	5	ChEMBL_1504350 (CHEMBL3592687)	Agonist activity at FPR2 in BALB/c mouse assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay
50046082	2	ChEMBL_1504346 (CHEMBL3592683)	Agonist activity at FPR2 in human PMN assessed as stimulation of Ca2+ influx measured every 5 secs for 240 secs by FLIPR assay in absence of probenecid
50018488	1	ChEMBL_458796 (CHEMBL942096)	Inhibition of Chk2 kinase
50018492	4	ChEMBL_431932 (CHEMBL917827)	Displacement of [3H]N(1)-Me-His-TRH from TRHR2
50018492	3	ChEMBL_431933 (CHEMBL917828)	Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity
50018492	2	ChEMBL_431931 (CHEMBL917826)	Displacement of [3H]N(1)-Me-His-TRH from TRHR1
50018492	1	ChEMBL_431934 (CHEMBL917829)	Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity
50018495	1	ChEMBL_431992 (CHEMBL918776)	Inhibition of T-type calcium channel Cav3.1 with alpha-1G subunit by patch clamp assay
50018498	2	ChEMBL_432005 (CHEMBL918789)	Inhibition of telomerase in JR8 cell extract by TRAP assay
50018498	1	ChEMBL_432004 (CHEMBL918788)	Inhibition of Taq polymerase
50018511	4	ChEMBL_440718 (CHEMBL889815)	Displacement of [3H]CPX from adenosine A1 receptor in DDT membranes
50018511	3	ChEMBL_440719 (CHEMBL889816)	Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells
50018511	2	ChEMBL_440721 (CHEMBL889818)	Displacement of [3H]ZM241385 from adenosine A2B receptor expressed in HEK cells
50018511	1	ChEMBL_440720 (CHEMBL889817)	Displacement of [3H]ZM-241385 from A2A adenosine A2A receptor expressed in HEK cells
50018515	3	ChEMBL_458798 (CHEMBL942098)	Inhibition of human recombinant cathepsin D
50046172	1	ChEMBL_1504356 (CHEMBL3592693)	Displacement of [3H]spiperone from human dopamine D2 long receptor expressed in CHO cell membranes
50018516	1	ChEMBL_422105 (CHEMBL907102)	In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source
50046172	2	ChEMBL_1504357 (CHEMBL3592694)	Displacement of [3H]spiperone from human dopamine D2 short receptor expressed in CHO cell membranes
50046172	3	ChEMBL_1504358 (CHEMBL3592695)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes
50018522	2	ChEMBL_432026 (CHEMBL918225)	Inhibition of human soluble epoxide hydrolase by fluorescent based assay
50018522	1	ChEMBL_432025 (CHEMBL918224)	Inhibition of human soluble epoxide hydrolase by spectrometric based assay
50018522	3	ChEMBL_432024 (CHEMBL918223)	Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay
50046172	4	ChEMBL_1504487 (CHEMBL3590827)	Activation of human dopamine D3 receptor L89K mutant expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation counting based myo-[3H]inositol phosphate accumulation assay
50046172	5	ChEMBL_1504481 (CHEMBL3590821)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes
50046172	6	ChEMBL_1504485 (CHEMBL3590825)	Activation of wild type human dopamine D3 receptor expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation counting based myo-[3H]inositol phosphate accumulation assay
50046172	7	ChEMBL_1504354 (CHEMBL3592691)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes
50046172	8	ChEMBL_1504355 (CHEMBL3592692)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293 cell membranes
50046173	1	ChEMBL_1504500 (CHEMBL3590942)	Partial agonist activity at human 5-HT2A receptor expressed in human tsA201 cells after 30 mins by inositol phosphate turnover assay
50046173	2	ChEMBL_1504501 (CHEMBL3590943)	Partial agonist activity at human 5-HT2C receptor expressed in human tsA201 cells after 30 mins by inositol phosphate turnover assay
50046173	3	ChEMBL_1504505 (CHEMBL3590947)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor by PDSP assay
50046173	4	ChEMBL_1504506 (CHEMBL3590948)	Displacement of [3H]-Mesulergine from rat 5-HT2C receptor by PDSP assay
50046173	5	ChEMBL_1504493 (CHEMBL3590935)	Binding affinity to 5-HT2C receptor (unknown origin) by PDSP assay
50046173	6	ChEMBL_1504495 (CHEMBL3590937)	Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at room temperature by IP-One assay
50046173	7	ChEMBL_1504496 (CHEMBL3590938)	Partial agonist activity at human 5-HT2C receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at room temperature by IP-One assay
50046173	8	ChEMBL_1504492 (CHEMBL3590934)	Binding affinity to 5-HT2A receptor (unknown origin) by PDSP assay
50018527	1	ChEMBL_440732 (CHEMBL889829)	Inhibition of cathepsin D
50046174	1	ChEMBL_1504508 (CHEMBL3590950)	Antagonist activity against human kappa opioid receptor by DiscoveRx beta-arrestin2 recruitment based PathHunter assay
50046174	2	ChEMBL_1504509 (CHEMBL3590951)	Antagonist activity against mu opioid receptor (unknown origin)
50046174	3	ChEMBL_1504510 (CHEMBL3590952)	Antagonist activity against delta opioid receptor (unknown origin)
50046174	4	ChEMBL_1504511 (CHEMBL3590953)	Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50046174	5	ChEMBL_1504512 (CHEMBL3590954)	Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cells assessed as inhibition of U69,593-induced ERK phosphorylation pre-incubated with compound before U69,593 stimulation for 10 mins
50046174	6	ChEMBL_1504513 (CHEMBL3590955)	Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69,593 stimulation for 90 mins by DiscoveRx beta-arrestin2 recruitment based PathHunter assay
50018540	2	ChEMBL_440741 (CHEMBL888712)	Inhibition of human LBD of ERbeta
50018540	1	ChEMBL_440740 (CHEMBL888711)	Inhibition of human LBD of of ERalpha
50018550	6	ChEMBL_453128 (CHEMBL902274)	Inhibition of prolyl oligopeptidase
50018550	2	ChEMBL_453126 (CHEMBL902272)	Inhibition of human DPP8
50018550	5	ChEMBL_453127 (CHEMBL902273)	Inhibition of human DPP9
50018550	4	ChEMBL_453124 (CHEMBL902270)	Inhibition of human DPP2
50018550	3	ChEMBL_453123 (CHEMBL902269)	Inhibition of human DPP4
50018551	7	ChEMBL_453162 (CHEMBL902312)	Inhibition of CYP3A4 in presence of BQ substrate
50018551	6	ChEMBL_453152 (CHEMBL902302)	Inhibition of PKCtheta by FP assay
50018551	5	ChEMBL_453158 (CHEMBL902308)	Inhibition of CYP3A4 in presence of BFC substrate
50018551	1	ChEMBL_453157 (CHEMBL902307)	Inhibition of CYP2D6
50018551	3	ChEMBL_453156 (CHEMBL902306)	Inhibition of CYP2C9
50018551	4	ChEMBL_453153 (CHEMBL902303)	Inhibition of PKCtheta in presence of 50 uM ATP
50018551	2	ChEMBL_453154 (CHEMBL902304)	Inhibition of PKCtheta in presence of 100 uM ATP
50018553	1	ChEMBL_453169 (CHEMBL902320)	Inhibition of JNK1
50018553	4	ChEMBL_453163 (CHEMBL902315)	Inhibition of c-Jun phosphorylation in HepG2 cells
50018553	3	ChEMBL_453171 (CHEMBL902313)	Inhibition of JNK3
50018553	2	ChEMBL_453170 (CHEMBL902321)	Inhibition of JNK2
50018554	1	ChEMBL_453172 (CHEMBL902323)	Displacement of [125I]ET1 from human ETA receptor expressed in CHO cells
50018554	2	ChEMBL_453173 (CHEMBL902324)	Displacement of [125I]ET1 from human ETB receptor expressed in CHO cells
50018556	2	ChEMBL_453179 (CHEMBL902329)	Displacement of [125I]PYY from NPY5 receptor expressed in human HEK293 cells
50018556	4	ChEMBL_453177 (CHEMBL902327)	Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells
50018556	1	ChEMBL_453180 (CHEMBL902330)	Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]GTP-gamma-S incorporation assay
50018556	3	ChEMBL_453178 (CHEMBL902328)	Displacement of [125I]PYY from NPY1 receptor expressed in human SK-N-MC cells
50018561	1	ChEMBL_426365 (CHEMBL907989)	Inhibition of recombinant HCV 1b BK NS5B polymerase by primer/template-directed transcription assay
50046174	7	ChEMBL_1504516 (CHEMBL3590958)	Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes
50018575	1	ChEMBL_406472 (CHEMBL856671)	Inhibition of Escherichia coli gyrase
50046174	8	ChEMBL_1504517 (CHEMBL3590959)	Binding affinity to delta opioid receptor (unknown origin)
50046174	9	ChEMBL_1504518 (CHEMBL3590960)	Binding affinity to mu opioid receptor (unknown origin)
50018577	2	ChEMBL_406401 (CHEMBL908919)	Antagonist activity against AT1 receptor assessed as inhibition of Ang2-induced rabbit aortic strip contraction
50046174	10	ChEMBL_1504519 (CHEMBL3590961)	Binding affinity to rat kappa opioid receptor expressed in HEK293 cell membranes
50046175	1	ChEMBL_1504522 (CHEMBL3590964)	Negative allosteric modulation of human mGluR1alpha expressed in syrian hamster AV-12 cells assessed as inhibition of quisqualate-induced phosphoinositide hydrolysis
50046175	2	ChEMBL_1504521 (CHEMBL3590963)	Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced aggregation preincubated for 5 mins followed by ADP addition by turbidimetric analysis
50046176	1	ChEMBL_1504523 (CHEMBL3590965)	Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation counting analysis
50046176	2	ChEMBL_1504524 (CHEMBL3591120)	Agonist activity at recombinant human alpha2c adrenergic receptor expressed in CHOK1 cells co-expressing Gqi5 assessed as induction of cytoplasmic calcium mobilization measured for 40 secs by fluorometric analysis
50018580	2	ChEMBL_406819 (CHEMBL907701)	Inhibition of human EAAT2 expressed in HEK293 cells by FLIPR membrane potential assay
50018580	1	ChEMBL_406820 (CHEMBL907704)	Inhibition of human EAAT3 expressed in HEK293 cells by FLIPR membrane potential assay
50018580	3	ChEMBL_406818 (CHEMBL907700)	Inhibition of human EAAT1 expressed in HEK293 cells by FLIPR membrane potential assay
50018582	4	ChEMBL_408729 (CHEMBL908289)	Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay
50018582	3	ChEMBL_408728 (CHEMBL908288)	Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells
50018582	1	ChEMBL_408752 (CHEMBL909940)	Displacement of [3H]dofetilide from hERG
50018582	2	ChEMBL_408766 (CHEMBL908898)	Activity at hERG expressed in HEK293 cells assessed as blockade of current at -50 mV by voltage clamp assay
50018585	2	ChEMBL_408171 (CHEMBL907725)	Binding affinity to D2 receptor
50018585	1	ChEMBL_408172 (CHEMBL907143)	Binding affinity to 5HT1A receptor
50018587	1	ChEMBL_407060 (CHEMBL907721)	Displacement of [3H]WIN-35428 from DAT in rat striatal membrane
50018587	2	ChEMBL_407061 (CHEMBL907722)	Displacement of [3H]citaloporam from SERT in rat brain
50018588	6	ChEMBL_440761 (CHEMBL889858)	Inhibition of MMP2
50018588	4	ChEMBL_440760 (CHEMBL889857)	Inhibition of MMP1
50018588	2	ChEMBL_440768 (CHEMBL889865)	Inhibition of TACE in human whole blood assay
50018588	1	ChEMBL_440764 (CHEMBL889861)	Inhibition of MMP13
50018588	5	ChEMBL_440762 (CHEMBL889859)	Inhibition of MMP3
50018588	7	ChEMBL_440768 (CHEMBL889865)	Inhibition of TACE in human whole blood assay
50018589	1	ChEMBL_453183 (CHEMBL902333)	Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells co-expressing alpha1G subunit by whole-cell patch clamp method
50018590	1	ChEMBL_453186 (CHEMBL902336)	Inhibition of mushroom tyrosinase
50018592	1	ChEMBL_453190 (CHEMBL902340)	Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalization by FLIPR assay
50018597	1	ChEMBL_432189 (CHEMBL904415)	Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli
50046177	1	ChEMBL_1504530 (CHEMBL3591126)	Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis
50046177	2	ChEMBL_1504528 (CHEMBL3591124)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis
50018599	2	ChEMBL_432199 (CHEMBL904425)	Inhibition of human TF/FVIIa complex by chromogenic assay
50018599	3	ChEMBL_432201 (CHEMBL904427)	Inhibition of human thrombin by chromogenic assay
50018599	1	ChEMBL_432200 (CHEMBL904426)	Inhibition of human Fxa by chromogenic assay
50046177	3	ChEMBL_1504529 (CHEMBL3591125)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis
50025054	7	ChEMBL_526859 (CHEMBL979354)	Displacement of [N-methyl-3H]GR-113808 from human 5HT4 receptor expressed in HEK293 cells
50025054	3	ChEMBL_526860 (CHEMBL979355)	Displacement of [1,2-3H]5-carboxamidotryptamine from human 5HT5A receptor expressed in HEK293 cells
50025054	2	ChEMBL_526861 (CHEMBL979356)	Displacement of [N-methyl-3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50025054	1	ChEMBL_526862 (CHEMBL979357)	Displacement of [1,2-3H]5-carboxamidotryptamine from human 5HT7A receptor expressed in HEK293 cells
50025054	9	ChEMBL_526856 (CHEMBL979351)	Displacement of [N-methyl-3H]LSD from human 5HT2A receptor expressed in HEK293 cells
50025054	11	ChEMBL_526857 (CHEMBL979352)	Displacement of [N-methyl-3H]LSD from human 5HT2C receptor expressed in HEK293 cells
50025054	4	ChEMBL_526851 (CHEMBL979346)	Binding affinity to human 5HT2A receptor expressed in HEK293 cells by saturation binding method
50025054	10	ChEMBL_526852 (CHEMBL979347)	Binding affinity to human 5HT2C receptor expressed in HEK293 cells by saturation binding method
50025054	12	ChEMBL_526853 (CHEMBL979348)	Binding affinity to human 5HT4 receptor expressed in HEK293 cells by saturation binding method
50025054	5	ChEMBL_526854 (CHEMBL979349)	Displacement of [1,2-3H]5-carboxamidotryptamine from human 5HT1A receptor expressed in HEK293 cells
50025054	8	ChEMBL_526855 (CHEMBL979350)	Displacement of [1,2-3H]5-carboxamidotryptamine from human 5HT1D receptor expressed in HEK293 cells
50025054	6	ChEMBL_526858 (CHEMBL979353)	Displacement of [9-methyl-3H]BRL-43694 from human 5HT3A receptor expressed in HEK293 cells
50025056	1	ChEMBL_526873 (CHEMBL979368)	Inhibition of horse serum BuChE by Ellman's method
50025068	1	ChEMBL_527197 (CHEMBL971986)	Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay
50025072	2	ChEMBL_527212 (CHEMBL972001)	Antagonist activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha-3-beta-4R2 cells assessed as nicotine-induced calcium fluorescence
50025072	1	ChEMBL_527213 (CHEMBL972002)	Activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha-3-beta-4R2 cells assessed as nicotine-induced 86Rb+ efflux
50018606	2	ChEMBL_432254 (CHEMBL914032)	Inhibition of ovine COX2 by enzyme immunoassay
50018606	1	ChEMBL_432253 (CHEMBL914625)	Inhibition of ovine COX1 by enzyme immunoassay
50018609	5	ChEMBL_453206 (CHEMBL902360)	Inhibition of human HSD2 assessed as interconversion of cortisone to cortisol
50018609	1	ChEMBL_453209 (CHEMBL902363)	Inhibition of human HSD1 expressed in HEK cells
50018609	4	ChEMBL_453207 (CHEMBL902361)	Inhibition of mouse HSD1 assessed as interconversion of cortisone to cortisol
50018609	3	ChEMBL_453205 (CHEMBL902359)	Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol
50018609	2	ChEMBL_453208 (CHEMBL902362)	Inhibition of mouse HSD2 assessed as interconversion of cortisone to cortisol
50046178	1	ChEMBL_1502245 (CHEMBL3591181)	Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis
50046178	2	ChEMBL_1502246 (CHEMBL3591182)	Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis
50046178	3	ChEMBL_1502247 (CHEMBL3591183)	Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis
50046178	4	ChEMBL_1502248 (CHEMBL3591184)	Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis
50018615	1	ChEMBL_432257 (CHEMBL914035)	Displacement of [3H]citalopram from SERT in rhesus monkey caudate-putamen
50046178	5	ChEMBL_1502249 (CHEMBL3591328)	Inhibition of human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate
50018619	3	ChEMBL_432273 (CHEMBL914051)	Inhibition of rabbit NEP
50018619	5	ChEMBL_432271 (CHEMBL914049)	Inhibition of human kidney NEP at pH 7
50018619	2	ChEMBL_432274 (CHEMBL914052)	Inhibition of human recombinant NEP
50018619	1	ChEMBL_432275 (CHEMBL914053)	Inhibition of human kidney NEP at pH 7.4
50018619	4	ChEMBL_432272 (CHEMBL914050)	Inhibition of rat NEP
50046178	6	ChEMBL_1502250 (CHEMBL3591329)	Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate
50046178	7	ChEMBL_1502243 (CHEMBL3591179)	Inhibition of ERK2 (unknown origin)
50046178	8	ChEMBL_1502244 (CHEMBL3591180)	Inhibition of human recombinant CDK9 expressed in insect cells using CDK7/9 tide as substrate after 30 mins by scintillation counting analysis
50018632	1	ChEMBL_432306 (CHEMBL915566)	Inhibition of alpha-1G T-type calcium channel expressed in HEK293 cells by electrophysiological method
50046178	9	ChEMBL_1502251 (CHEMBL3591330)	Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate
50046178	10	ChEMBL_1502253 (CHEMBL3591332)	Inhibition of DYRK1A in HEK293 cells assessed as inhibition of tau phosphorylation at Thr212 by Western blotting analysis
50046178	11	ChEMBL_1502252 (CHEMBL3591331)	Inhibition of DYRK1A in human HeLa cells assessed as reduction of SF3B1 phosphorylation by immunoblotting analysis
50046178	12	ChEMBL_1502238 (CHEMBL3591174)	Inhibition of human recombinant CDK2 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50046178	13	ChEMBL_1502239 (CHEMBL3591175)	Inhibition of human recombinant CDK5 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50018649	2	ChEMBL_432351 (CHEMBL914991)	Inhibition of ovine COX2
50018649	1	ChEMBL_432350 (CHEMBL914990)	Inhibition of ovine COX1
50018652	1	ChEMBL_453280 (CHEMBL902435)	Displacement of [125I]MIP1-alpha from human CCR5/CD4 expressed in HEK293 cells
50018657	1	ChEMBL_435187 (CHEMBL904570)	Inhibition of human GST-Cdc25C expressed in Escherichia coli BL21(DE3)
50018657	3	ChEMBL_435185 (CHEMBL904571)	Inhibition of human GST-Cdc25A expressed in Escherichia coli BL21(DE3)
50018657	2	ChEMBL_435186 (CHEMBL904572)	Inhibition of human GST-Cdc25B expressed in Escherichia coli BL21(DE3)
50018658	1	ChEMBL_437628 (CHEMBL905988)	Inhibition of CYP3A4
50018658	4	ChEMBL_437626 (CHEMBL905986)	Inhibition of CYP2C9
50018658	5	ChEMBL_437627 (CHEMBL905987)	Inhibition of CYP2D6
50018658	2	ChEMBL_437629 (CHEMBL905989)	Inhibition of CYP1A2
50018658	3	ChEMBL_437625 (CHEMBL905985)	Inhibition of CYP2C19
50018660	1	ChEMBL_440828 (CHEMBL889923)	Inhibition of human CYP2C9
50018662	2	ChEMBL_432392 (CHEMBL915970)	Inhibition of Rho kinase
50018662	1	ChEMBL_432393 (CHEMBL915971)	Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2
50018668	1	ChEMBL_432444 (CHEMBL917443)	Inhibition of eel AChE
50018673	3	ChEMBL_453299 (CHEMBL902454)	Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes
50018673	2	ChEMBL_453298 (CHEMBL902453)	Displacement of 125I-hMCP1 from CCR2 expressed in human peripheral blood monocytes after 60 mins
50018673	1	ChEMBL_453307 (CHEMBL902462)	Inhibition of CCR5
50018674	1	ChEMBL_440843 (CHEMBL889938)	Inhibition of JAK3 expressed in Sf21 cells
50018676	3	ChEMBL_432506 (CHEMBL918800)	Inhibition of MMP8
50018676	5	ChEMBL_432504 (CHEMBL918798)	Inhibition of MMP3
50018676	1	ChEMBL_432508 (CHEMBL918802)	Inhibition of MMP13
50018676	7	ChEMBL_432502 (CHEMBL918796)	Inhibition of MMP1
50046178	14	ChEMBL_1502241 (CHEMBL3591177)	Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate
50018676	8	ChEMBL_432503 (CHEMBL918797)	Inhibition of human recombinant MMP2 expressed in mouse myeloma cells
50018676	6	ChEMBL_432505 (CHEMBL918799)	Inhibition of MMP7
50018679	1	ChEMBL_432539 (CHEMBL918833)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50046179	1	ChEMBL_1502263 (CHEMBL3591342)	Displacement of [125I]-CCL2 from human CCR2 expressed in U2OS cells incubated for 150 mins by scintillation spectrometry
50046179	2	ChEMBL_1502264 (CHEMBL3591343)	Antagonist activity against human CCR2B expressed in Chem-1 cells assessed as inhibition of human CCL2-induced intracellular calcium flux incubated for 10 mins by Fluo-4 AM dye based intracellular calcium flux assay
50046179	3	ChEMBL_1502265 (CHEMBL3591344)	Antagonist activity against mouse CCR2B expressed in human U2OS cells co-expressing beta-arrestin assessed as inhibition of mouse CCL2-induced beta-arrestin recruitment pre-incubated for 10 mins before mouse CCL2 stimulation for 90 mins by luminescence based assay
50018691	2	ChEMBL_437651 (CHEMBL904898)	Displacement of [125I]MCP1 from human CCR2 expressed in monocytes
50018691	3	ChEMBL_437652 (CHEMBL905929)	Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes
50018691	1	ChEMBL_437676 (CHEMBL905928)	Inhibition of MCP1-stimulated chemotaxis in monocytes transfected with human CCR2
50025074	1	ChEMBL_508387 (CHEMBL1008251)	Inhibition of BoNT/A light chain metalloprotease activity
50018697	1	ChEMBL_422088 (CHEMBL908782)	Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)
50018698	2	ChEMBL_453326 (CHEMBL901476)	Displacement of [3H]GBR from DAT in rat brain membranes
50018698	3	ChEMBL_453327 (CHEMBL901478)	Displacement of [3H]paroxetine from SERT in brain membranes
50018698	1	ChEMBL_453325 (CHEMBL901477)	Displacement of [3H]nisoxetine from NET in rat brain membranes
50018702	1	ChEMBL_422114 (CHEMBL908799)	Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells
50018705	3	ChEMBL_453342 (CHEMBL902496)	Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 cells
50018705	4	ChEMBL_453341 (CHEMBL902494)	Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells
50018705	1	ChEMBL_453345 (CHEMBL902499)	Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis
50018705	5	ChEMBL_453340 (CHEMBL902495)	Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells
50018705	2	ChEMBL_453346 (CHEMBL902500)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole stimulated mitogenesis
50046180	1	ChEMBL_1502283 (CHEMBL3591362)	Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay
50046181	1	ChEMBL_1502287 (CHEMBL3591366)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells
50046181	2	ChEMBL_1502288 (CHEMBL3591367)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells
50046181	3	ChEMBL_1502289 (CHEMBL3591368)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cells
50046181	4	ChEMBL_1502292 (CHEMBL3591526)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor assessed as inhibition constant for lower affinity site expressed in HEK293 cells
50046181	5	ChEMBL_1502293 (CHEMBL3591527)	Binding affinity to human dopamine D2 receptor
50046181	6	ChEMBL_1502294 (CHEMBL3591528)	Inhibition of human ERG by PatchXpress assay
50046182	1	ChEMBL_1502487 (CHEMBL3592309)	Agonist activity at recombinant human P2Y14 receptor expressed in African green monkey COS7 cells co-transfected with Galphaqi assessed as stimulation of phospholipase Cbeta
50018711	1	ChEMBL_432577 (CHEMBL918283)	Inhibition of PTP1B in presence of 0.01% Triton X-100
50018711	2	ChEMBL_432576 (CHEMBL918282)	Inhibition of PTP1B
50046183	1	ChEMBL_1502494 (CHEMBL3592316)	Antagonist activity against FPR2 (unknown origin) pre-treated for 5 mins before addition of Wpep by Fluo4 florescence based intracellular Ca2+ mobilization assay
50046183	2	ChEMBL_1502493 (CHEMBL3592315)	Agonist activity at FPR2 (unknown origin) by Fluo4 florescence based intracellular Ca2+ mobilization assay
50046183	3	ChEMBL_1502492 (CHEMBL3592314)	Antagonist activity against human FPR2 expressed in rat RBL-2H3 cells pre-treated for 15 mins before addition of WKYMVm or C1 by intracellular Ca2+ mobilization assay
50046183	4	ChEMBL_1502491 (CHEMBL3592313)	Agonist activity at human FPR2 expressed in rat RBL-2H3 cells by intracellular Ca2+ mobilization assay
50046183	5	ChEMBL_1502490 (CHEMBL3592312)	Agonist activity against human FPR2 expressed in human HL60 cells by Fluo-4AM dye based intracellular Ca2+ mobilization assay
50046183	6	ChEMBL_1502489 (CHEMBL3592311)	Allosteric antagonist activity against FPR2 (unknown origin)
50046184	1	ChEMBL_1502811 (CHEMBL3591371)	Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assay
50018714	3	ChEMBL_437683 (CHEMBL905958)	Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTP-gamma-S binding assay
50018714	2	ChEMBL_437678 (CHEMBL905953)	Antagonist activity at mouse CXCR3 by [35S]GTP-gamma-S binding assay
50018714	1	ChEMBL_437679 (CHEMBL905954)	Inhibition at human CYP2D6
50018717	1	ChEMBL_440952 (CHEMBL890042)	Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells
50018717	2	ChEMBL_440953 (CHEMBL890043)	Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4
50018717	3	ChEMBL_440954 (CHEMBL890045)	Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect on calcium mobilization
50018717	4	ChEMBL_440956 (CHEMBL890046)	Inhibition of hERG
50018719	1	ChEMBL_432664 (CHEMBL919235)	Displacement of [125I]iodoMLA from alpha-7 nAChR in rat cerebral cortex
50018734	1	ChEMBL_422041 (CHEMBL908805)	Inhibition of HDAC activity measured by HDAC Fluorescent Activity Assay (mean of two experiments)
50018734	2	ChEMBL_422039 (CHEMBL908803)	Inhibition of CYP450 3A4
50018735	2	ChEMBL_421812 (CHEMBL854912)	Functional antagonism of MCH-R1 expressed in HEK293 cells
50018735	1	ChEMBL_421809 (CHEMBL854882)	Inhibition of binding to serotonin receptor 5HT2C
50018735	3	ChEMBL_421810 (CHEMBL854892)	Inhibition of binding to hERG
50018736	2	ChEMBL_437693 (CHEMBL905968)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells
50018736	1	ChEMBL_437695 (CHEMBL905970)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells
50018737	1	ChEMBL_421481 (CHEMBL854910)	Functional antagonism of MCH-R1 expressed in HEK293 cells
50018738	1	ChEMBL_453360 (CHEMBL902514)	Inhibition of bovine PDE5 after 24 hrs by HTRF
50018739	2	ChEMBL_421484 (CHEMBL854913)	Functional antagonism of MCH-R1 expressed in HEK293 cells
50018739	1	ChEMBL_421371 (CHEMBL854894)	Inhibition of binding to hERG
50018739	3	ChEMBL_421485 (CHEMBL856547)	Inhibition of binding to MCH-R1
50018740	2	ChEMBL_440971 (CHEMBL890061)	Binding affinity to human histamine H3 receptor
50018740	1	ChEMBL_440969 (CHEMBL890059)	Binding affinity to rat SERT
50018740	3	ChEMBL_440970 (CHEMBL890060)	Binding affinity to human SERT
50018751	2	ChEMBL_432787 (CHEMBL914638)	Agonist activity at CB2 receptor expressed in HL60 cells assessed as increase in intracellular free calcium concentrations
50018751	1	ChEMBL_432785 (CHEMBL914636)	Agonist activity at CB1 receptor expressed in NG108-15 cells assessed as increase in intracellular free calcium concentrations
50046184	2	ChEMBL_1502807 (CHEMBL3591210)	Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by TR-FRET analysis relative to control
50018754	1	ChEMBL_435196 (CHEMBL904580)	Inhibition of human VDR induced-transcriptional transactivation of luciferase reporter gene in COS7 cells after 24 hrs
50018755	1	ChEMBL_453391 (CHEMBL902545)	Inhibition of mushroom tyrosinase after 10 mins
50018766	1	ChEMBL_437735 (CHEMBL905920)	Inhibition of Stat3
50046184	3	ChEMBL_1502808 (CHEMBL3591211)	Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis
50046184	4	ChEMBL_1502813 (CHEMBL3591373)	Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50046184	5	ChEMBL_1502814 (CHEMBL3591374)	Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assay
50046184	6	ChEMBL_1502815 (CHEMBL3591375)	Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assay
50046184	7	ChEMBL_1502816 (CHEMBL3591376)	Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan panel based assay
50046184	8	ChEMBL_1502817 (CHEMBL3591377)	Binding affinity to TAF1 (unknown origin) by BROMOscan panel based assay
50046184	9	ChEMBL_1502818 (CHEMBL3591378)	Binding affinity to TAF1L (unknown origin) by BROMOscan panel based assay
50046184	10	ChEMBL_1502819 (CHEMBL3591379)	Binding affinity to BRPF1 (unknown origin) by BROMOscan panel based assay
50046184	11	ChEMBL_1502820 (CHEMBL3591380)	Binding affinity to BRPF2 (unknown origin) by BROMOscan panel based assay
50046184	12	ChEMBL_1502821 (CHEMBL3591381)	Binding affinity to BRPF3 (unknown origin) by BROMOscan panel based assay
50046184	13	ChEMBL_1502822 (CHEMBL3591382)	Binding affinity to CECR2 (unknown origin) by BROMOscan panel based assay
50046184	14	ChEMBL_1502823 (CHEMBL3591383)	Binding affinity to ATAD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	15	ChEMBL_1502824 (CHEMBL3591384)	Binding affinity to ATAD2B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	16	ChEMBL_1502825 (CHEMBL3591385)	Binding affinity to BAZ1B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	17	ChEMBL_1502826 (CHEMBL3591386)	Binding affinity to BAZ2A in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	18	ChEMBL_1502827 (CHEMBL3591387)	Binding affinity to BAZ2B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	19	ChEMBL_1502828 (CHEMBL3591388)	Binding affinity to BPTF in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50018770	1	ChEMBL_432838 (CHEMBL914106)	Activity at human S1P4 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
50018770	5	ChEMBL_432835 (CHEMBL914103)	Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
50018770	4	ChEMBL_432837 (CHEMBL914105)	Activity at human S1P3 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
50018770	3	ChEMBL_432836 (CHEMBL914104)	Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
50018770	2	ChEMBL_432839 (CHEMBL914107)	Activity at human S1P5 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
50018770	6	ChEMBL_432845 (CHEMBL915594)	Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
50018770	7	ChEMBL_432846 (CHEMBL915595)	Displacement of [32P]S1P from human S1P3 receptor expressed in HEK293T cells
50046184	20	ChEMBL_1502829 (CHEMBL3591389)	Binding affinity to BRD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	21	ChEMBL_1502830 (CHEMBL3591390)	Binding affinity to BRD3 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	22	ChEMBL_1502831 (CHEMBL3591391)	Binding affinity to BRD4 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	23	ChEMBL_1502832 (CHEMBL3591392)	Binding affinity to BRD7 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	24	ChEMBL_1502833 (CHEMBL3591393)	Binding affinity to BRD8 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	25	ChEMBL_1502834 (CHEMBL3591394)	Binding affinity to BRD9 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	26	ChEMBL_1502835 (CHEMBL3591395)	Binding affinity to BRDT in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	27	ChEMBL_1502836 (CHEMBL3591396)	Binding affinity to BRPF1 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	28	ChEMBL_1502837 (CHEMBL3591397)	Binding affinity to KAT2A in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	29	ChEMBL_1502838 (CHEMBL3591398)	Binding affinity to KAT2B in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	30	ChEMBL_1502839 (CHEMBL3591399)	Binding affinity to PBRM1 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	31	ChEMBL_1502840 (CHEMBL3591400)	Binding affinity to SMARCA4 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	32	ChEMBL_1502841 (CHEMBL3591401)	Binding affinity to TAF1 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay
50046184	33	ChEMBL_1502842 (CHEMBL3591402)	Binding affinity to BRD2 containing BD1 bromodomains (unknown origin) by TR-FRET assay
50046184	34	ChEMBL_1502843 (CHEMBL3591403)	Binding affinity to BRD3 containing BD1 bromodomains (unknown origin) by TR-FRET assay
50046184	35	ChEMBL_1502844 (CHEMBL3591404)	Binding affinity to BRD4 containing BD1 bromodomains (unknown origin) by TR-FRET assay
50046184	36	ChEMBL_1502845 (CHEMBL3591405)	Binding affinity to BRDt containing BD1 bromodomains (unknown origin) by TR-FRET assay
50046184	37	ChEMBL_1502846 (CHEMBL3591406)	Binding affinity to ATAD2(unknown origin) by peptide FRET assay
50046184	38	ChEMBL_1502847 (CHEMBL3591407)	Binding affinity to BRD2 containing BD2 bromodomains (unknown origin) by TR-FRET assay
50046184	39	ChEMBL_1502848 (CHEMBL3591408)	Binding affinity to BRD3 containing BD2 bromodomains (unknown origin) by TR-FRET assay
50046184	40	ChEMBL_1502849 (CHEMBL3591409)	Binding affinity to BRD4 containing BD2 bromodomains (unknown origin) by TR-FRET assay
50046184	41	ChEMBL_1502985 (CHEMBL3592018)	Binding affinity to BRDt containing BD2 bromodomains (unknown origin) by TR-FRET assay
50046185	1	ChEMBL_1504871 (CHEMBL3595361)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50018773	1	ChEMBL_441011 (CHEMBL890098)	Binding affinity to recombinant Grb2-SH3 domain by fluorescence spectroscopy
50018798	1	ChEMBL_441018 (CHEMBL890105)	Binding affinity to human integrin alpha-4-beta-7 in Jurkat cells
50046186	1	ChEMBL_1505005 (CHEMBL3595787)	Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method
50046186	2	ChEMBL_1505006 (CHEMBL3595788)	Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method
50046186	3	ChEMBL_1505007 (CHEMBL3595789)	Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method
50046186	4	ChEMBL_1505008 (CHEMBL3595790)	Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method
50046187	1	ChEMBL_1505019 (CHEMBL3595874)	Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay
50046187	2	ChEMBL_1505018 (CHEMBL3595873)	Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay
50018805	1	ChEMBL_432854 (CHEMBL915603)	Binding affinity at NET
50046187	3	ChEMBL_1505020 (CHEMBL3595875)	Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay
50025087	1	ChEMBL_527254 (CHEMBL972814)	Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages by RIA
50046188	1	ChEMBL_1505084 (CHEMBL3596003)	Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measured every 5 mins by fluorescence assay
50046188	2	ChEMBL_1505085 (CHEMBL3596004)	Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measured every 5 mins by fluorescence assay
50018809	1	ChEMBL_411697 (CHEMBL908975)	Binding affinity to hERG potassium channel
50018809	2	ChEMBL_411693 (CHEMBL913527)	Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay
50046188	3	ChEMBL_1505086 (CHEMBL3596005)	Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measured every 5 mins by fluorescence assay
50046188	4	ChEMBL_1505087 (CHEMBL3596006)	Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measured every 5 mins by fluorescence assay
50046188	5	ChEMBL_1505088 (CHEMBL3596007)	Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measured every 5 mins by fluorescence assay
50046189	1	ChEMBL_1505112 (CHEMBL3594577)	Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method
50046189	2	ChEMBL_1505111 (CHEMBL3594576)	Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method
50046189	3	ChEMBL_1505110 (CHEMBL3594575)	Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method
50018816	1	ChEMBL_411945 (CHEMBL908393)	Antagonist activity against human MCHR1 expressed in CHO cells by Gal4/Elk1-Luc reporter assay
50018817	1	ChEMBL_411789 (CHEMBL908945)	Antagonist activity against human MCH1 receptor stably-expressed in CHO cells by Gal4/Elk1-Luc reporter assay
50018818	6	ChEMBL_412717 (CHEMBL910004)	Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor expressed in HEK cells
50018818	3	ChEMBL_412713 (CHEMBL908372)	Displacement of [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells
50018818	5	ChEMBL_412719 (CHEMBL910006)	Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells
50018818	4	ChEMBL_412723 (CHEMBL910010)	Displacement of [3H]CPX from rat brain cortex adenosine A1 receptor
50018818	2	ChEMBL_412715 (CHEMBL908374)	Displacement of [125I]ZM-241385 from human adenosine A2A receptor expressed in HEK cells
50018818	1	ChEMBL_412724 (CHEMBL910011)	Displacement of [3H]ZM-241385 from rat brain striatum adenosine A2A receptor
50018819	1	ChEMBL_412200 (CHEMBL908403)	Displacement of [3H]ZM-241385 from adenosine A2A receptor in rat striatal membrane
50018819	3	ChEMBL_412202 (CHEMBL910041)	Displacement of [125I]ABA from human adenosine A1 receptor
50018819	4	ChEMBL_412205 (CHEMBL910044)	Displacement of [125I]ABA from human adenosine A3 receptor
50018819	5	ChEMBL_412203 (CHEMBL910042)	Displacement of [125I]ZM-241385 from human adenosine A2A receptor
50018819	6	ChEMBL_412204 (CHEMBL910043)	Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor
50018822	1	ChEMBL_411307 (CHEMBL907245)	Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane
50018822	2	ChEMBL_411308 (CHEMBL907246)	Displacement of [125I]Ang2 from AT2 receptor in pig uterus membrane
50046146	9	ChEMBL_1504725 (CHEMBL3594930)	Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation counting analysis
50046146	6	ChEMBL_1504719 (CHEMBL3594924)	Displacement of [3H]-MLA from alpha7 nicotine acetylcholine receptor in rat brain minus cerebellum after 60 mins by scintillation counting analysis
50046190	1	ChEMBL_1504757 (CHEMBL3595042)	Inhibition of CETP in rabbit serum incubated for 1 hr using NBD-labeled cholesterol in HDL and LDL by fluorescence based assay
50046191	4	ChEMBL_1504762 (CHEMBL3595047)	Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay
50046191	3	ChEMBL_1504763 (CHEMBL3595048)	Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assay
50018830	1	ChEMBL_413225 (CHEMBL910646)	Inhibition of human recombinant SIRT2
50018831	1	ChEMBL_413589 (CHEMBL853870)	Inhibition of chymotrypsin-like activity in rabbit 20S proteasome
50018834	2	ChEMBL_441039 (CHEMBL890126)	Antagonist activity at human glucagon receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50018834	1	ChEMBL_441038 (CHEMBL890125)	Displacement of [125]glucagon from human glucagon receptor expressed in CHO cells
50018834	3	ChEMBL_441040 (CHEMBL890127)	Antagonist activity at human GIP receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50018835	1	ChEMBL_441055 (CHEMBL890212)	Binding affinity to human PNMT
50046191	5	ChEMBL_1504767 (CHEMBL3595052)	Inhibition of human CA1 after 15 mins by stopped-flow/Co2 hydration assay
50018836	1	ChEMBL_432884 (CHEMBL915009)	Inhibition of soybean lipoxygenase after 7 mins
50018837	2	ChEMBL_441060 (CHEMBL890218)	Inhibition of AChE in rat cortex at pH 5
50018837	1	ChEMBL_441061 (CHEMBL891276)	Inhibition of BuChE in rat serum
50018838	1	ChEMBL_432902 (CHEMBL915028)	Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells
50018841	1	ChEMBL_453427 (CHEMBL885426)	Displacement of [125]peptide YY from human recombinant Y1 receptor expressed in CHO cells
50018843	5	ChEMBL_453432 (CHEMBL885431)	Binding affinity at rat SERT
50018843	2	ChEMBL_453471 (CHEMBL885470)	Inhibition of [3H]nisoxetine uptake in human NET expressed in MDCK cells
50018843	4	ChEMBL_453434 (CHEMBL885433)	Binding affinity at human histamine H3 receptor
50018843	3	ChEMBL_453433 (CHEMBL885432)	Binding affinity at human SERT
50018843	1	ChEMBL_453472 (CHEMBL885471)	Inhibition of [3H]WIN-uptake in human DAT expressed in CHO cells
50046192	1	ChEMBL_1504782 (CHEMBL3595067)	Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins
50046192	2	ChEMBL_1504789 (CHEMBL3595074)	Inhibition of human tissue kallikrein 1 measured for 30 mins
50046192	3	ChEMBL_1504788 (CHEMBL3595073)	Inhibition of human plasma kallikrein using S2302 as substrate measured for 30 mins
50046192	4	ChEMBL_1504787 (CHEMBL3595072)	Inhibition of human trypsin measured for 30 mins
50046192	5	ChEMBL_1504786 (CHEMBL3595071)	Inhibition of human APC measured for 30 mins
50046192	6	ChEMBL_1504785 (CHEMBL3595070)	Inhibition of human thrombin using S2238 as substrate measured for 30 mins
50046192	7	ChEMBL_1504784 (CHEMBL3595069)	Inhibition of human F10a using S2222 as substrate measured for 30 mins
50018850	1	ChEMBL_458902 (CHEMBL923873)	Displacement of [125I]RTI55 from SERT in rat brain synaptosomes
50018850	2	ChEMBL_458901 (CHEMBL923872)	Displacement of [125I]RTI55 from DAT in rat brain synaptosomes
50018851	3	ChEMBL_441110 (CHEMBL891324)	Inhibition of ICE
50018851	1	ChEMBL_441112 (CHEMBL891326)	Inhibition of caspase 8
50018851	2	ChEMBL_441111 (CHEMBL891325)	Inhibition of caspase 3
50018854	6	ChEMBL_453570 (CHEMBL885570)	Agonist activity at human Gal4-PPARdelta expressed in CV1 cells by transactivation assay
50018854	3	ChEMBL_453568 (CHEMBL885568)	Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma
50018854	5	ChEMBL_453571 (CHEMBL885571)	Agonist activity at PPARgamma in CV1 cells by transactivation assay
50018854	2	ChEMBL_453567 (CHEMBL885567)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta
50018854	4	ChEMBL_453569 (CHEMBL885569)	Agonist activity at human Gal4-PPARalpha expressed in CV1 cells by transactivation assay
50018854	1	ChEMBL_453566 (CHEMBL885566)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARalpha
50018861	1	ChEMBL_441127 (CHEMBL891341)	Inhibition of calcium channel Cav2.2 in IMR32 cells
50025100	1	ChEMBL_508416 (CHEMBL995295)	Inhibition of AX-7503 binding to recombinant Plk3 expressed in HeLa cells by Western blot
50025100	2	ChEMBL_508417 (CHEMBL995296)	Inhibition of AX-7503 binding to recombinant Plk1 by Western blot
50025100	3	ChEMBL_508418 (CHEMBL995297)	Inhibition of recombinant Plk3 assessed as casein substrate phosphorylation
50025100	4	ChEMBL_508419 (CHEMBL995298)	Inhibition of Plk3 in human A549 cells assessed as casein substrate phosphorylation by Western blot
50018870	1	ChEMBL_441143 (CHEMBL891362)	Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome
50018870	2	ChEMBL_441142 (CHEMBL891361)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain P2 synaptosome
50018870	3	ChEMBL_441145 (CHEMBL891364)	Agonist activity at mu opioid receptor in Hartley guinea pig intestine assessed as inhibition of electrically evoked myenteric plexus longitudinal muscle contractions
50018870	4	ChEMBL_441147 (CHEMBL891366)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions
50018874	1	ChEMBL_427760 (CHEMBL917591)	Inhibition of human leukocyte elastase using [14C]GS7340 substrate
50018874	2	ChEMBL_427761 (CHEMBL917586)	Inhibition of porcine liver carboxylesterase using [14C]GS-7340 substrate
50046192	8	ChEMBL_1504783 (CHEMBL3595068)	Inhibition of human F9a measured for 30 mins
50046193	1	ChEMBL_1504797 (CHEMBL3595150)	Displacement of 8-NBD-cAMP from mouse recombinant EPAC2 by fluorescence assay
50046193	2	ChEMBL_1504796 (CHEMBL3595149)	Antagonist activity at EPAC1 (unknown origin) assessed as cAMP-induced guanine nucleotide exchange factor activity
50046193	3	ChEMBL_1504795 (CHEMBL3595148)	Antagonist activity at EPAC2 (unknown origin) assessed as cAMP-induced guanine nucleotide exchange factor activity
50046193	4	ChEMBL_1504794 (CHEMBL3595079)	Displacement of 8-NBD-cAMP from EPAC2 (unknown origin)
50046193	5	ChEMBL_1504800 (CHEMBL3595153)	Antagonist activity at human recombinant EPAC1 assessed as inhibition of Rap1b-bGDP exchange activity
50046194	1	ChEMBL_1504929 (CHEMBL3595578)	Inhibition of bovine brain tubulin polymerization after 30 mins
50046195	1	ChEMBL_1456028 (CHEMBL3366412)	Binding affinity to SHP1 (unknown origin)
50046195	2	ChEMBL_1456027 (CHEMBL3366411)	Binding affinity to PTP1B (unknown origin)
50046196	1	ChEMBL_1456041 (CHEMBL3366425)	Agonist activity at human GPBAR1 expressed in HEK293T cells assessed as stimulation of cAMP response element-mediated receptor transactivation by luciferase reporter gene assay
50046197	1	ChEMBL_1456968 (CHEMBL3368419)	Inhibition of [3H]-serotonin uptake in human SERT expressed in HEK293 cells by scintillation counting
50046197	2	ChEMBL_1456969 (CHEMBL3368420)	Inhibition of [3H]-NE uptake in human norepinephrine transporter expressed in HEK293 cells by scintillation counting
50046197	3	ChEMBL_1456970 (CHEMBL3368421)	Inhibition of [3H]-DA uptake in human dopamine transporter expressed in HEK293 cells by scintillation counting
50046198	1	ChEMBL_1459667 (CHEMBL3370156)	Inhibition of DPP7 (unknown origin) expressed in baculovirus expression system using Nle-Pro-AMC as substrate by continuous fluorometric assay
50046198	2	ChEMBL_1459666 (CHEMBL3370155)	Inhibition of human recombinant DPP4 expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay
50046198	3	ChEMBL_1459668 (CHEMBL3370157)	Inhibition of DPP8 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay
50046198	4	ChEMBL_1459669 (CHEMBL3370158)	Inhibition of DPP9 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay
50046198	5	ChEMBL_1459670 (CHEMBL3370159)	Inhibition of FAP (unknown origin) expressed in baculovirus expression system using Nle-Pro-AMC as substrate by continuous fluorometric assay
50046198	6	ChEMBL_1459711 (CHEMBL3370429)	Inhibition of human ERG expressed in CHO cells after 20 mins by patch clamp assay
50046198	7	ChEMBL_1459712 (CHEMBL3370430)	Inhibition of human ERG expressed in CHO cells after 20 mins by thallium assay
50046198	8	ChEMBL_1459713 (CHEMBL3370431)	Inhibition of CYP3A4 (unknown origin)
50046199	1	ChEMBL_1459715 (CHEMBL3370433)	Binding affinity to N-terminal His6-tagged pVHL (54 to 213 amino acids) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50046200	1	ChEMBL_1459716 (CHEMBL3370434)	Inhibition of Plasmodium falciparum plasmepsin V assessed as cleavage of wtKAHRP fluorogenic substrate
50046200	2	ChEMBL_1459717 (CHEMBL3370435)	Inhibition of human cathepsin D assessed as cleavage of wtKAHRP fluorogenic substrate
50018889	6	ChEMBL_422393 (CHEMBL909821)	Inhibition of human recombinant SIRT2
50018889	4	ChEMBL_422397 (CHEMBL909828)	Inhibition of human SIRT1 by radioactive deacetylase assay
50018889	2	ChEMBL_422399 (CHEMBL909830)	Inhibition of human recombinant SIRT2 by radioactive deacetylase assay
50018889	3	ChEMBL_422396 (CHEMBL908188)	Inhibition of human SIRT1 by fluorescent deacetylase assay
50018889	1	ChEMBL_422398 (CHEMBL909829)	Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay
50018889	5	ChEMBL_422392 (CHEMBL908191)	Inhibition of human SIRT1
50018891	2	ChEMBL_422453 (CHEMBL911023)	Activity against human androgen receptor expressed in HepG2 cells assessed as luciferase reporter gene activation
50018891	1	ChEMBL_422451 (CHEMBL909323)	Displacement of androgen fluormone from rat androgen receptor
50018892	2	ChEMBL_422428 (CHEMBL909840)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells
50018892	1	ChEMBL_422429 (CHEMBL909304)	Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells
50018892	4	ChEMBL_422431 (CHEMBL909306)	Displacement of [125I]AB-MECA from rat Adenosine A3 receptor expressed in CHO cells
50018892	3	ChEMBL_422430 (CHEMBL909305)	Displacement of [3H]CGS-21680 from human Adenosine A2A receptor expressed in CHO cells
50018894	1	ChEMBL_422533 (CHEMBL911040)	Inhibition of pig brain GABA-AT in presence of beta-mercaptoethanol
50018896	1	ChEMBL_422536 (CHEMBL911030)	Inhibition of Plasmodium falciparum recombinant PLM1
50018896	2	ChEMBL_422537 (CHEMBL911031)	Inhibition of Plasmodium falciparum recombinant PLM2
50018897	7	ChEMBL_422471 (CHEMBL909383)	Agonist activity at rat D2 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
50018897	2	ChEMBL_422468 (CHEMBL910420)	Agonist activity at rat D4 receptor in HEK293 cells coexpressing G-alpha-qo5 by FLIPR
50046200	3	ChEMBL_1459718 (CHEMBL3370436)	Inhibition of human BACE1 assessed as cleavage of TRF substrate
50018901	1	ChEMBL_422560 (CHEMBL912249)	Inhibition of human recombinant TG2 expressed in Escherichia coli
50046200	4	ChEMBL_1459721 (CHEMBL3370439)	Inhibition of Plasmodium vivax plasmepsin V by fluorogenic PEXEL cleavage assay
50046201	4	ChEMBL_1446410 (CHEMBL3375524)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50046201	3	ChEMBL_1446411 (CHEMBL3375525)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50018903	1	ChEMBL_422561 (CHEMBL912214)	Displacement of [3H]1,25-dihydroxyvitamin D3 from human VDR by HAP assay
50018905	1	ChEMBL_422673 (CHEMBL913341)	Inhibition of CSK measured as poly-E4Y phosphorylation by acid precipitation assay in presence of 0.2 mM CoCl2
50018905	3	ChEMBL_422671 (CHEMBL913339)	Inhibition of SRC
50044757	11	ChEMBL_1439890 (CHEMBL3388005)	Inhibition of human mPGES-1 using PGH2 as substrate by RP-HPLC analysis
50046202	1	ChEMBL_1440666 (CHEMBL3390418)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method
50018907	7	ChEMBL_420184 (CHEMBL912727)	Inhibition of human AKT1
50018907	5	ChEMBL_420173 (CHEMBL912716)	Inhibition of human ABL1
50018907	11	ChEMBL_420176 (CHEMBL912719)	Inhibition of human ERbB2
50018907	18	ChEMBL_420191 (CHEMBL912734)	Inhibition of human NEK2
50018907	1	ChEMBL_420178 (CHEMBL912721)	Inhibition of human IGF1-R
50018907	15	ChEMBL_420192 (CHEMBL912735)	Inhibition of human EPHB4
50018907	16	ChEMBL_420187 (CHEMBL912730)	Inhibition of human TIE2
50018907	17	ChEMBL_420174 (CHEMBL912717)	Inhibition of human EGFR
50018907	12	ChEMBL_420185 (CHEMBL912728)	Inhibition of human CDK2 (with cyclin A)
50018907	3	ChEMBL_420189 (CHEMBL912732)	Inhibition of human Aurora-A
50018907	9	ChEMBL_420177 (CHEMBL912720)	Inhibition of human PDGFR beta
50018907	8	ChEMBL_420183 (CHEMBL912726)	Inhibition of human VEGFR2
50018907	19	ChEMBL_420190 (CHEMBL912733)	Inhibition of human FAK
50018907	4	ChEMBL_420182 (CHEMBL912725)	Inhibition of human PLK1
50018907	20	ChEMBL_420180 (CHEMBL912723)	Inhibition of human SRC
50018907	2	ChEMBL_420179 (CHEMBL912722)	Inhibition of human GSK3 beta
50018915	1	ChEMBL_435298 (CHEMBL903656)	Inhibition of T type calcium channel subunit alpha-1G expressed in HEK293 cells assessed as effect on T-type calcium currents by patch clamp method
50046202	2	ChEMBL_1440667 (CHEMBL3390419)	Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method
50018916	3	ChEMBL_408439 (CHEMBL908265)	Inhibition of mouse CRTH2 receptor
50046202	3	ChEMBL_1440670 (CHEMBL3390422)	Competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis
50046202	4	ChEMBL_1440671 (CHEMBL3390423)	Non-competitive inhibition of AChE (unknown origin) incubated for 25 mins by Lineweaver-Burk plot analysis
50046203	1	ChEMBL_1440678 (CHEMBL3390430)	Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50046203	2	ChEMBL_1440680 (CHEMBL3381315)	Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50018916	2	ChEMBL_408436 (CHEMBL908871)	Inhibition of DP1
50018917	1	ChEMBL_408552 (CHEMBL908277)	Inhibition of EGFR tyrosine kinase activity
50046203	3	ChEMBL_1440681 (CHEMBL3381316)	Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting
50018921	5	ChEMBL_408840 (CHEMBL909955)	Binding affinity to human caspase 3
50018921	1	ChEMBL_408845 (CHEMBL909400)	Inhibition of caspase 8
50018921	4	ChEMBL_408841 (CHEMBL909965)	Inhibition of caspase 1
50018921	6	ChEMBL_408843 (CHEMBL909967)	Inhibition of caspase 6
50018921	2	ChEMBL_408844 (CHEMBL909399)	Inhibition of caspase 7
50018921	7	ChEMBL_408842 (CHEMBL909966)	Inhibition of caspase 3
50018921	3	ChEMBL_408846 (CHEMBL909401)	Inhibition of caspase 3 in neutrophils
50018923	3	ChEMBL_409349 (CHEMBL912350)	Displacement of [3H]citalopram from human SERT
50018923	1	ChEMBL_409351 (CHEMBL912352)	Displacement of [3H]nisoxetine from human NET
50018923	2	ChEMBL_409350 (CHEMBL912351)	Displacement of [3H]RTI-55 from human DAT
50018924	1	ChEMBL_408913 (CHEMBL909438)	Inhibition of human group 5 sPLA2
50018924	3	ChEMBL_408914 (CHEMBL909439)	Inhibition of human group 10 sPLA2
50018924	2	ChEMBL_408907 (CHEMBL909432)	Inhibition of Toxoplasma gondii purine nucleoside phosphorylase
50046203	4	ChEMBL_1440679 (CHEMBL3390431)	Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50046205	2	ChEMBL_1431510 (CHEMBL3389875)	Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate incubated for 2 hrs prior to substrate addition by spectrophotometry
50046207	6	ChEMBL_1431528 (CHEMBL3390449)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method
50046207	5	ChEMBL_1431529 (CHEMBL3390450)	Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 6 mins by spectrophotometric method
50018928	8	ChEMBL_410061 (CHEMBL907162)	Displacement of [125I]NDP-alphaMSH from human MC1 receptor expressed in HEK293 cells
50018928	2	ChEMBL_410063 (CHEMBL907165)	Displacement of [125I]NDP-alphaMSH from human MC4 receptor expressed in HEK293 cells
50046207	4	ChEMBL_1431531 (CHEMBL3390452)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 6 mins by spectrophotometric method
50018928	1	ChEMBL_410064 (CHEMBL907167)	Displacement of [125I]NDP-alphaMSH from human MC5 receptor expressed in HEK293 cells
50018928	4	ChEMBL_410065 (CHEMBL907168)	Activity at hMC1R transfected in HEK293 cells assessed as intracellular cAMP accumulation
50018937	1	ChEMBL_420194 (CHEMBL856401)	Inhibition of Aurora-A
50018937	2	ChEMBL_420193 (CHEMBL856400)	Inhibition of EGFR
50018938	2	ChEMBL_453666 (CHEMBL885667)	Inhibition of human ACAT2 expressed in Hi5 cells
50018938	1	ChEMBL_453667 (CHEMBL885668)	Inhibition of human ACAT1 expressed in Hi5 cells
50018944	7	ChEMBL_453678 (CHEMBL885679)	Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA
50018944	6	ChEMBL_453679 (CHEMBL885680)	Agonist activity at human PPARdelta by FRET assay
50018944	1	ChEMBL_453683 (CHEMBL885684)	Activity at human PPARalpha expressed in CV1 cells by GAL4 transactivation assay
50018944	3	ChEMBL_453681 (CHEMBL885682)	Activity at human PPARdelta expressed in CV1 cells by GAL4 transactivation assay
50018944	4	ChEMBL_453680 (CHEMBL885681)	Agonist activity at human PPARalpha by FRET assay
50018944	5	ChEMBL_453684 (CHEMBL902867)	Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay
50018944	2	ChEMBL_453682 (CHEMBL885683)	Activity at mouse PPARdelta expressed in CV1 cells by GAL4 transactivation assay
50046208	6	ChEMBL_1432385 (CHEMBL3384490)	Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate
50046208	4	ChEMBL_1432387 (CHEMBL3384492)	Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate
50046208	5	ChEMBL_1432386 (CHEMBL3384491)	Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate assessed as remaining activity at 10 uM
50018977	3	ChEMBL_453747 (CHEMBL885747)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells
50018977	4	ChEMBL_453749 (CHEMBL885750)	Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue
50046257	1	ChEMBL_1432404 (CHEMBL3385127)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate by HTRF assay
50018977	1	ChEMBL_453754 (CHEMBL885755)	Agonist activity at human NOP receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 2 hrs
50046209	1	ChEMBL_1446797 (CHEMBL3371271)	Inhibition of proteasome subunit beta-5i in human Raji cells using BODIPY-NC005 by fluorescent densitometry
50046209	2	ChEMBL_1446800 (CHEMBL3371274)	Inhibition of proteasome subunit beta-1i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry
50046209	3	ChEMBL_1446802 (CHEMBL3371276)	Inhibition of proteasome subunit beta-2i in human Raji cells using BODIPY- epoxomicin by fluorescent densitometry
50025104	1	ChEMBL_508722 (CHEMBL1004016)	Inhibition of human CKIdelta
50025104	2	ChEMBL_508723 (CHEMBL1004017)	Inhibition of human CKIalpha
50025104	6	ChEMBL_508725 (CHEMBL1004019)	Inhibition of human JNK1
50025104	4	ChEMBL_508726 (CHEMBL1004020)	Inhibition of human JNK2
50025104	3	ChEMBL_508720 (CHEMBL1004014)	Inhibition of human RSK2
50025104	5	ChEMBL_508727 (CHEMBL1004021)	Inhibition of human CK2
50018981	2	ChEMBL_453775 (CHEMBL885776)	Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes
50018981	1	ChEMBL_453774 (CHEMBL885775)	Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells
50046209	4	ChEMBL_1446807 (CHEMBL3371281)	Inhibition of proteasome subunit beta-5i in human RPMI8226 cells using BODIPY-NC005 by fluorescent densitometry
50046209	5	ChEMBL_1446809 (CHEMBL3371283)	Inhibition of proteasome subunit beta-1i in human RPMI8226 cells using BODIPY-NC001 by fluorescent densitometry
50018987	1	ChEMBL_453798 (CHEMBL885799)	Inhibition of diphenolase activity of mushroom tyrosinase
50018992	3	ChEMBL_422117 (CHEMBL908231)	Inhibition constant against DPP-4
50018992	2	ChEMBL_422119 (CHEMBL908233)	Inhibitory constant against POP
50046209	6	ChEMBL_1446811 (CHEMBL3371285)	Inhibition of proteasome subunit beta-2i in human RPMI8226 cells using BODIPY-epoxomicin by fluorescent densitometry
50046210	1	ChEMBL_1446823 (CHEMBL3371297)	Inhibition of HIV1 protease
50046211	1	ChEMBL_1446841 (CHEMBL3371912)	Inhibition of human ERG
50018993	2	ChEMBL_421482 (CHEMBL854911)	Functional antagonism of MCH-R1 expressed in HEK293 cells
50018993	1	ChEMBL_421068 (CHEMBL854881)	Inhibition of binding to serotonin receptor 5HT2C
50018996	1	ChEMBL_453825 (CHEMBL885827)	Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay
50019003	4	ChEMBL_420234 (CHEMBL854889)	Inhibition of hERG in patch-clamp assay
50019003	6	ChEMBL_420873 (CHEMBL854872)	Inhibition of D2(L)
50019003	2	ChEMBL_420235 (CHEMBL854896)	Inhibition of 5HT2B
50019003	5	ChEMBL_420456 (CHEMBL856561)	Inhibition of MCH-R2
50019005	2	ChEMBL_446719 (CHEMBL897015)	Inhibition of CDK2
50019005	1	ChEMBL_446721 (CHEMBL897017)	Inhibition of CDK1
50025106	1	ChEMBL_508759 (CHEMBL1007371)	Inhibition of human JAK2 expressed in COS7 cells
50019022	1	ChEMBL_422675 (CHEMBL913361)	Inhibition of Electrophorus electricus AChE
50019022	2	ChEMBL_422676 (CHEMBL913362)	Inhibition of human erythrocyte AChE
50019022	3	ChEMBL_422677 (CHEMBL913363)	Inhibition of human serum BuChE
50019025	4	ChEMBL_423899 (CHEMBL913573)	Inhibition of human caspase 3
50019025	3	ChEMBL_423897 (CHEMBL913571)	Inhibition of human caspase 1
50019025	1	ChEMBL_423903 (CHEMBL913577)	Inhibition of human caspase 7
50019025	2	ChEMBL_423902 (CHEMBL913576)	Inhibition of human caspase 6
50019025	5	ChEMBL_423898 (CHEMBL913572)	Inhibition of human caspase 2
50019025	6	ChEMBL_423904 (CHEMBL913578)	Inhibition of human caspase 8
50019026	2	ChEMBL_423907 (CHEMBL910729)	Inhibition of STS in placental microsomes by radiometric assay
50019026	1	ChEMBL_423924 (CHEMBL911872)	Inhibition of human CA2
50019027	1	ChEMBL_422734 (CHEMBL854830)	Inhibition of HIV1 protease
50019030	1	ChEMBL_422736 (CHEMBL911622)	Binding affinity to BclXL by FP assay
50019030	3	ChEMBL_422735 (CHEMBL911623)	Binding affinity to Bcl2 by FP assay
50019033	4	ChEMBL_422918 (CHEMBL908770)	Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK
50019033	2	ChEMBL_422916 (CHEMBL908767)	Inhibition of [3H]methyl dThd phosphorylation by TK2
50019033	1	ChEMBL_422917 (CHEMBL908768)	Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK
50019033	3	ChEMBL_422919 (CHEMBL908769)	Inhibition of TK2
50019033	5	ChEMBL_422916 (CHEMBL908767)	Inhibition of [3H]methyl dThd phosphorylation by TK2
50019036	1	ChEMBL_422808 (CHEMBL856524)	Inhibition of human thymidine phosphorylase by continuous spectrophotometric assay
50019038	1	ChEMBL_422965 (CHEMBL909867)	Binding affinity to adrenergic alpha-2A receptor in Sprague-Dawley rat cortical membranes
50019038	2	ChEMBL_422967 (CHEMBL909869)	Inhibition of [3H]noradrenaline uptake in Sprague-Dawley rat brain synaptosomes
50046213	1	ChEMBL_1454051 (CHEMBL3361797)	Binding affinity to EphA3 (unknown origin) by surface plasmon resonance
50046213	2	ChEMBL_1454052 (CHEMBL3361798)	Inhibition of phosphorylation of full-length myc-tagged human EphB4 overexpressed in mouse embryonic fibroblasts after 90 mins by sandwich ELISA
50046214	1	ChEMBL_1454932 (CHEMBL3364543)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay
50046214	2	ChEMBL_1454933 (CHEMBL3364544)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay
50046214	3	ChEMBL_1454934 (CHEMBL3364545)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay
50046214	4	ChEMBL_1454935 (CHEMBL3364546)	Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cell membranes by liquid scintillation counting based competition binding assay
50046214	5	ChEMBL_1454936 (CHEMBL3364547)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay
50046215	1	ChEMBL_1455790 (CHEMBL3361502)	Inhibition of TNFalpha in HEK293T cells transfected with plasmid hRluc/TK/ luc2P/NF-kBRE/Hygro plasmid after 12 hrs by Dual-glo luciferase assay system
50046215	2	ChEMBL_1455792 (CHEMBL3361504)	Inhibition of TNFalpha (unknown origin) assessed as IkappaB-alpha phosphorylation in Hela cells after 15 mins by ELISA
50046216	1	ChEMBL_1456719 (CHEMBL3371009)	Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay
50046216	2	ChEMBL_1455803 (CHEMBL3361515)	Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
50046217	1	ChEMBL_1456745 (CHEMBL3371035)	Inhibition of CYP2C9 (unknown origin)
50046217	2	ChEMBL_1456739 (CHEMBL3371029)	Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay
50046218	1	ChEMBL_1456767 (CHEMBL3367089)	Inhibition of CYP2C19 in human liver microsome
50046218	2	ChEMBL_1456768 (CHEMBL3367090)	Inhibition of CYP2D6 in human liver microsome
50046218	3	ChEMBL_1456763 (CHEMBL3367085)	Agonist activity at human TGR5 expressed in HEK293 cells assessed as cAMP level after 48 hrs by fluorescent assay
50046218	4	ChEMBL_1456764 (CHEMBL3367086)	Inhibition of CYP3A4 in human liver microsome
50046218	5	ChEMBL_1456765 (CHEMBL3367087)	Inhibition of CYP1A2 in human liver microsome
50046218	6	ChEMBL_1456766 (CHEMBL3367088)	Inhibition of CYP2C9 in human liver microsome
50046219	1	ChEMBL_1457647 (CHEMBL3368715)	Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method
50025107	27	ChEMBL_508986 (CHEMBL1005539)	Inhibition of Tel-fused EphB4 kinase-mediated mouse BaF3 cell proliferation
50025107	26	ChEMBL_508987 (CHEMBL1005540)	Inhibition of Tel-fused Tie2 kinase-mediated mouse BaF3 cell proliferation
50025107	24	ChEMBL_508988 (CHEMBL1005541)	Inhibition of Tel-fused PDGFRb kinase-mediated mouse BaF3 cell proliferation
50025107	22	ChEMBL_508989 (CHEMBL1005542)	Inhibition of Tel-fused FLT3 kinase-mediated mouse BaF3 cell proliferation
50025107	13	ChEMBL_508991 (CHEMBL1005544)	Inhibition of Tel-fused KDR kinase-mediated mouse BaF3 cell proliferation
50025107	11	ChEMBL_508992 (CHEMBL1005545)	Inhibition of Tel-fused FLT1 kinase-mediated mouse BaF3 cell proliferation
50025107	16	ChEMBL_508993 (CHEMBL1005546)	Inhibition of Tel-fused FGFR1 kinase-mediated mouse BaF3 cell proliferation
50025107	14	ChEMBL_508994 (CHEMBL1005547)	Inhibition of Tel-fused RET kinase-mediated mouse BaF3 cell proliferation
50025107	3	ChEMBL_508996 (CHEMBL1006337)	Inhibition of Tel-fused MET kinase-mediated mouse BaF3 cell proliferation
50025107	9	ChEMBL_508997 (CHEMBL1006338)	Inhibition of Tel-fused TRKB kinase-mediated mouse BaF3 cell proliferation
50025107	1	ChEMBL_508999 (CHEMBL1006340)	Inhibition of Tel-fused JAK2 kinase-mediated mouse BaF3 cell proliferation
50025107	19	ChEMBL_509000 (CHEMBL1006341)	Inhibition of Tel-fused TYK2 kinase-mediated mouse BaF3 cell proliferation
50025107	18	ChEMBL_509001 (CHEMBL1006342)	Inhibition of Tel-fused SRC kinase-mediated mouse BaF3 cell proliferation
50025107	17	ChEMBL_509002 (CHEMBL1006343)	Inhibition of Tel-fused Lyn kinase-mediated mouse BaF3 cell proliferation
50025107	12	ChEMBL_509004 (CHEMBL1006345)	Inhibition of Tel-fused Abl kinase-mediated mouse BaF3 cell proliferation
50025107	10	ChEMBL_509005 (CHEMBL1006346)	Inhibition of Tel-fused ZAP70 kinase-mediated mouse BaF3 cell proliferation
50046219	2	ChEMBL_1457646 (CHEMBL3368714)	Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method
50025107	20	ChEMBL_509010 (CHEMBL1006351)	Inhibition of Bmx kinase
50025107	21	ChEMBL_509011 (CHEMBL1006352)	Inhibition of Syk kinase
50025107	25	ChEMBL_509013 (CHEMBL1006354)	Inhibition of InsR phosphorylation in rat H4-2E cells
50019053	2	ChEMBL_438141 (CHEMBL887272)	Inhibition of IGF1R
50019053	1	ChEMBL_438142 (CHEMBL887273)	Inhibition of IGF1R expressed in Sal cells
50019055	2	ChEMBL_441410 (CHEMBL891639)	Inhibition of human ERbeta by radioligand binding assay
50019055	1	ChEMBL_441411 (CHEMBL891640)	Inhibition of human ERalpha by radioligand binding assay
50019057	1	ChEMBL_441415 (CHEMBL891644)	Inhibition of bovine erythrocyte acetylcholinesterase
50019060	3	ChEMBL_453857 (CHEMBL885859)	Inhibition of Src activity
50019060	2	ChEMBL_453858 (CHEMBL885860)	Inhibition of Src in rat fibroblasts
50019060	6	ChEMBL_453863 (CHEMBL885865)	Inhibition of KDR
50019060	1	ChEMBL_453859 (CHEMBL885861)	Inhibition of EGFR
50019060	5	ChEMBL_453860 (CHEMBL885862)	Inhibition of AKT
50019060	7	ChEMBL_453864 (CHEMBL885866)	Inhibition of PDK1
50019060	4	ChEMBL_453861 (CHEMBL885863)	Inhibition of CDK4
50019061	5	ChEMBL_453870 (CHEMBL885872)	Inhibition of MMP2
50019061	1	ChEMBL_453869 (CHEMBL885871)	Inhibition of MMP1
50019061	4	ChEMBL_453868 (CHEMBL885870)	Inhibition of porcine TACE
50019061	3	ChEMBL_453872 (CHEMBL885874)	Inhibition of MMP13
50046220	1	ChEMBL_1457659 (CHEMBL3368945)	Inhibition of CXCR4 (unknown origin)
50046220	2	ChEMBL_1457660 (CHEMBL3368946)	Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation proximity-based functional assay
50046221	1	ChEMBL_1457678 (CHEMBL3368964)	Inhibition of human recombinant VEGFR2 pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay
50019064	1	ChEMBL_420608 (CHEMBL856562)	Affinity for MCH-R2
50046221	2	ChEMBL_1457677 (CHEMBL3368963)	Inhibition of human recombinant c-Met pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay
50019065	1	ChEMBL_441417 (CHEMBL891646)	Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells
50019065	3	ChEMBL_441418 (CHEMBL891647)	Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells
50019065	2	ChEMBL_441416 (CHEMBL891645)	Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells
50019067	3	ChEMBL_438153 (CHEMBL907546)	Inhibition of KDR
50019067	2	ChEMBL_438154 (CHEMBL907547)	Inhibition of human KDR phosphorylation in NIH3T3 cells
50019067	1	ChEMBL_438164 (CHEMBL907557)	Inhibition of CYP3A4
50019068	2	ChEMBL_453885 (CHEMBL885887)	Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells
50019068	1	ChEMBL_453884 (CHEMBL885886)	Displacement of [3H]SCH 23390 from human cloned dopamine D1 receptor expressed in HEK 293 cells
50019068	3	ChEMBL_453888 (CHEMBL885890)	Binding affinity to human cloned dopamine D5 receptor expressed in HEK 293 cells
50019068	4	ChEMBL_453886 (CHEMBL885888)	Binding affinity to human cloned dopamine D3 receptor expressed in CHO cells
50019070	4	ChEMBL_453896 (CHEMBL885900)	Inhibition of VEGFR2 by HTRF assay
50019070	3	ChEMBL_453895 (CHEMBL885899)	Inhibition of VEGFR1 by HTRF assay
50019070	2	ChEMBL_453899 (CHEMBL885903)	Inhibition of VEGFR2 by [32P]ATP-competitive radioassay
50019072	4	ChEMBL_441427 (CHEMBL891654)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced twitches
50019072	2	ChEMBL_441424 (CHEMBL891657)	Binding affinity to mu opioid receptor in rat brain synaptosome membrane by radioligand binding assay
50019072	1	ChEMBL_441425 (CHEMBL891658)	Binding affinity to delta opioid receptor in rat brain synaptosome membrane by radioligand binding assay
50019072	3	ChEMBL_441428 (CHEMBL891653)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-induced twitches
50019079	2	ChEMBL_453906 (CHEMBL885910)	Inhibition of human carboxypeptidase N
50019079	3	ChEMBL_453905 (CHEMBL885909)	Inhibition of porcine pancreatic carboxypeptidase B
50019080	1	ChEMBL_446748 (CHEMBL895927)	Inhibition of human NHE1 expressed in PS120 cells
50019081	2	ChEMBL_453908 (CHEMBL885912)	Binding affinity to mGluR5
50019081	1	ChEMBL_453909 (CHEMBL885913)	Antagonist activity at mGluR5 assessed as inhibition of Ca2+ efflux by FLIPR
50046222	1	ChEMBL_1456843 (CHEMBL3367576)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membranes
50046222	2	ChEMBL_1456841 (CHEMBL3367574)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50019083	1	ChEMBL_441462 (CHEMBL891691)	Inhibition of Escherichia coli FabH
50025110	1	ChEMBL_527587 (CHEMBL976623)	Inhibition of Crotalus adamanteus venom phospholipase A2 by fluorometric assay
50025130	1	ChEMBL_528289 (CHEMBL971080)	Inhibition of jack bean urease
50019089	1	ChEMBL_453943 (CHEMBL885947)	Inhibition of human glutathione reductase
50019091	3	ChEMBL_422033 (CHEMBL908237)	In vitro inhibition of DPP-4
50019091	1	ChEMBL_422035 (CHEMBL908239)	In vitro inhibition of DPP-8
50046222	3	ChEMBL_1456842 (CHEMBL3367575)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes
50019091	2	ChEMBL_422034 (CHEMBL908238)	In vitro inhibition of DPP-II
50046222	4	ChEMBL_1456846 (CHEMBL3367579)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50046222	5	ChEMBL_1456849 (CHEMBL3367582)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50046223	1	ChEMBL_1456851 (CHEMBL3367584)	Inhibition of 6-His-tagged Mycobacterium smegmatis GyrB expressed in Escherichia coli BL21 (DE3) pLysS cells incubated for 100 mins in presence of ATP by malachite green dye based ATP assay
50019093	1	ChEMBL_441509 (CHEMBL891740)	Inhibition of human topoisomerase 1 at 200 uM
50019107	1	ChEMBL_453952 (CHEMBL885956)	Antagonist activity at mGluR5 by FLIPR
50019107	2	ChEMBL_453951 (CHEMBL885955)	Displacement of [3H]MPEP from mGlu5 receptor
50019111	2	ChEMBL_438178 (CHEMBL907571)	Inhibition of human recombinant cathepsin S
50019111	1	ChEMBL_438177 (CHEMBL907570)	Inhibition of human recombinant cathepsin B
50019111	6	ChEMBL_438180 (CHEMBL907573)	Inhibition of human recombinant cathepsin L
50019111	9	ChEMBL_438185 (CHEMBL907578)	Inhibition of human recombinant cathepsin V
50019111	8	ChEMBL_438184 (CHEMBL907577)	Inhibition of human recombinant cathepsin F
50019111	5	ChEMBL_438183 (CHEMBL907576)	Inhibition of human recombinant cathepsin X
50046224	1	ChEMBL_1456858 (CHEMBL3367591)	Inhibition of Plasmodium falciparum SUB1
50019115	1	ChEMBL_454004 (CHEMBL903191)	Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay
50045369	6	ChEMBL_1452432 (CHEMBL3362456)	Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry
50045369	5	ChEMBL_1452433 (CHEMBL3362457)	Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry
50045369	7	ChEMBL_1452430 (CHEMBL3362092)	Inhibition of Cryptosporidium IMPDH preincubated for 10 mins before substrate addition by spectrophotometry
50045369	3	ChEMBL_1452447 (CHEMBL3362471)	Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry
50045369	1	ChEMBL_1452429 (CHEMBL3362091)	Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry
50019119	1	ChEMBL_435461 (CHEMBL903819)	Inhibition of cytosolic adenosine kinase
50019119	2	ChEMBL_435462 (CHEMBL903820)	Inhibition of adenosine kinase in intact cells assessed as adenosine phosphorylation
50025139	1	ChEMBL_509293 (CHEMBL996037)	Inhibition of PDGFRbeta
50025139	2	ChEMBL_509294 (CHEMBL996038)	Inhibition of VEGFR2
50025139	3	ChEMBL_509296 (CHEMBL996040)	Inhibition of EGFR
50045369	2	ChEMBL_1452448 (CHEMBL3362472)	Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry
50045369	4	ChEMBL_1452446 (CHEMBL3362470)	Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry
50046225	1	ChEMBL_1452449 (CHEMBL3362473)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins
50046225	2	ChEMBL_1452450 (CHEMBL3362474)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells at 1 uM after 90 mins
50046225	3	ChEMBL_1452453 (CHEMBL3362477)	Binding affinity to human delta opioid receptor
50046225	4	ChEMBL_1452451 (CHEMBL3362475)	Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins
50046225	5	ChEMBL_1452459 (CHEMBL3362483)	Agonist activity at human mu opioid receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay
50046225	6	ChEMBL_1452457 (CHEMBL3362481)	Agonist activity at human NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]-GTPgammaS binding by scintillation proximity assay
50046225	7	ChEMBL_1452454 (CHEMBL3362478)	Binding affinity to human kappa opioid receptor
50046226	1	ChEMBL_1453356 (CHEMBL3366640)	Inhibition of rat brain cortex L-type Ca2+-channel benzothiazepine site
50046226	2	ChEMBL_1453357 (CHEMBL3366641)	Inhibition of rat brain cortex L-type Ca2+-channel phenylalkylamine site
50046226	3	ChEMBL_1453358 (CHEMBL3366642)	Inhibition of rat whole brain L-type Ca2+-channel dihydropyridine site
50046226	4	ChEMBL_1453330 (CHEMBL3366614)	Agonist activity at human recombinant MOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proximity assay
50046226	5	ChEMBL_1453329 (CHEMBL3366613)	Agonist activity at human recombinant NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proximity assay
50046226	6	ChEMBL_1453328 (CHEMBL3366612)	Binding affinity to human delta opioid receptor
50046226	7	ChEMBL_1453327 (CHEMBL3366611)	Binding affinity to human kappa opioid receptor
50046226	8	ChEMBL_1453325 (CHEMBL3366609)	Displacement of [3H]naloxone from human MOP receptor expressed in CHO-K1 cells by scintillation proximity assay
50046226	9	ChEMBL_1453323 (CHEMBL3366607)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assay
50019123	1	ChEMBL_423321 (CHEMBL853739)	Inhibition of P-Selectin by Biacore assay
50046226	10	ChEMBL_1453333 (CHEMBL3366617)	Inhibition of human ERG
50046227	1	ChEMBL_1454177 (CHEMBL3363207)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding
50019126	2	ChEMBL_423446 (CHEMBL911099)	Inhibition of human cloned glucagon receptor expressed in BHK cells
50046227	2	ChEMBL_1454175 (CHEMBL3363205)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding
50019126	1	ChEMBL_423457 (CHEMBL909993)	Inhibition of rat glucagon receptor
50046227	3	ChEMBL_1454174 (CHEMBL3363204)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50019127	1	ChEMBL_423382 (CHEMBL909901)	Displacement of [3H]haTRAP from PAR1 in human platelet membrane
50019128	2	ChEMBL_423354 (CHEMBL909895)	Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA
50019128	3	ChEMBL_423355 (CHEMBL909896)	Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli by SPA
50019128	4	ChEMBL_423356 (CHEMBL909897)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells by FPIA
50019128	7	ChEMBL_423360 (CHEMBL909908)	Inhibitory activity against mouse 11beta-HSD2 by SPA
50019128	1	ChEMBL_423359 (CHEMBL909906)	Inhibitory activity against human 11beta-HSD2 by SPA
50019128	5	ChEMBL_423374 (CHEMBL909360)	Inhibitory activity against rat 11beta-HSD2
50019128	6	ChEMBL_423373 (CHEMBL909359)	Inhibitory activity against rat 11beta-HSD1
50019129	9	ChEMBL_423422 (CHEMBL911097)	Activity at delta opioid receptor in ICR mouse by MVD assay
50019129	6	ChEMBL_423423 (CHEMBL911101)	Activity at mu opioid receptor assessed as contraction of electrically-stimulated Hartley guinea pig ileum
50019129	2	ChEMBL_423415 (CHEMBL909387)	Displacement of [125I]CCK8-SO3 from human CCK2 receptor expressed in HEK293 cells
50019129	5	ChEMBL_423414 (CHEMBL909382)	Displacement of [125I]CCK8-SO3 from human CCK1 receptor expressed in HEK293 cells
50019129	4	ChEMBL_423421 (CHEMBL911096)	Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046227	4	ChEMBL_1454172 (CHEMBL3363202)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum
50046227	5	ChEMBL_1454173 (CHEMBL3363203)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum
50046228	1	ChEMBL_1454199 (CHEMBL3363499)	Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50046228	2	ChEMBL_1454198 (CHEMBL3363498)	Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50046228	3	ChEMBL_1454197 (CHEMBL3363497)	Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50046228	4	ChEMBL_1454196 (CHEMBL3363226)	Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50046229	1	ChEMBL_1455096 (CHEMBL3366352)	Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046229	2	ChEMBL_1455095 (CHEMBL3366351)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046229	3	ChEMBL_1455083 (CHEMBL3366339)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	4	ChEMBL_1455084 (CHEMBL3366340)	Inhibition of HDAC2 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	5	ChEMBL_1455085 (CHEMBL3366341)	Inhibition of HDAC3 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	6	ChEMBL_1455088 (CHEMBL3366344)	Inhibition of HDAC6 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	7	ChEMBL_1455090 (CHEMBL3366346)	Inhibition of HDAC8 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	8	ChEMBL_1455092 (CHEMBL3366348)	Inhibition of HDAC10 (unknown origin) incubated for 30 mins in presence of BSA and in absence of DTT by fluorescence assay
50046229	9	ChEMBL_1455093 (CHEMBL3366349)	Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and in absence of DTT by fluorescence assay
50046229	10	ChEMBL_1455097 (CHEMBL3366353)	Inhibition of HDAC3 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046229	11	ChEMBL_1455104 (CHEMBL3366360)	Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay
50046229	12	ChEMBL_1455103 (CHEMBL3366359)	Inhibition of HDAC10 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046229	13	ChEMBL_1455100 (CHEMBL3366356)	Inhibition of HDAC6 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046229	14	ChEMBL_1455098 (CHEMBL3366354)	Inhibition of HDAC4 (unknown origin) incubated for 30 mins in presence of BSA and DTT by fluorescence assay
50046230	2	ChEMBL_1455950 (CHEMBL3365708)	Inhibition of human recombinant DPP9 pre-incubated with compound for 15 mins before substrate addition by luminescence assay
50046230	3	ChEMBL_1455949 (CHEMBL3365707)	Inhibition of human recombinant DPP8 pre-incubated with compound for 15 mins before substrate addition by luminescence assay
50046231	1	ChEMBL_1460504 (CHEMBL3395306)	Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry
50046231	2	ChEMBL_1460503 (CHEMBL3395305)	Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry
50046231	3	ChEMBL_1460505 (CHEMBL3395307)	Inhibition of human beta-glucocerebrosidase at pH 7.0 by spectrophotometry
50046231	4	ChEMBL_1460506 (CHEMBL3395308)	Inhibition of human beta-glucocerebrosidase at pH 5.5 by spectrophotometry
50046232	1	ChEMBL_1460519 (CHEMBL3395429)	Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coupling based spectrophotometry
50019138	1	ChEMBL_435528 (CHEMBL903888)	Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts
50019138	2	ChEMBL_435529 (CHEMBL903889)	Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells
50025141	1	ChEMBL_509301 (CHEMBL996045)	Agonist activity at rat GLP1 receptor expressed in HEK293 cells assessed as cAMP release
50025141	2	ChEMBL_509302 (CHEMBL996874)	Displacement of [125I]GLP1 from rat GLP1 receptor expressed in HEK293 cells
50019153	1	ChEMBL_435535 (CHEMBL903895)	Inhibition of mushroom tyrosinase
50046233	1	ChEMBL_1460521 (CHEMBL3395431)	Inhibition of Mycobacterium tuberculosis recombinant InhA assessed as NADH oxidation to NAD+ using 2-trans-dodecenoyl-CoA substrate by UV/visible spectrophotometry
50046234	5	ChEMBL_1461196 (CHEMBL3395759)	Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP
50046234	4	ChEMBL_1461197 (CHEMBL3395760)	Inhibition of human recombinant Abl kinase using [gamma-32P]ATP as substrate by filter binding assay
50046235	1	ChEMBL_1462355 (CHEMBL3395549)	Inhibition of CYP3A4 (unknown origin)
50046235	2	ChEMBL_1462356 (CHEMBL3395550)	Inhibition of CYP2C9 (unknown origin)
50046235	3	ChEMBL_1462357 (CHEMBL3395551)	Inhibition of CYP2D6 (unknown origin)
50046235	4	ChEMBL_1462358 (CHEMBL3395552)	Inhibition of CYP2C19 (unknown origin)
50046235	5	ChEMBL_1462359 (CHEMBL3395553)	Inhibition of CYP1A2 (unknown origin)
50046235	6	ChEMBL_1462360 (CHEMBL3395554)	Inhibition of human ERG channel by planar technique
50046235	7	ChEMBL_1462361 (CHEMBL3395555)	Inhibition of human ERG channel by QPatch technique
50046236	1	ChEMBL_1462421 (CHEMBL3395843)	Inhibition of His-tagged human Asf1a binding with H3/H4 assessed as fluorescence intensity after 30 mins by ALPHA assay
50046237	2	ChEMBL_1462422 (CHEMBL3395844)	Inhibition of gamma-secretase (unknown origin) expressed in CHO cells overexpressing human wild type APP assessed as reduction of amyloid beta 42 level after 24 hrs by ELISA
50045452	7	ChEMBL_1463425 (CHEMBL3399762)	Inhibition of Pr3 (unknown origin) using t-butyloxycarbonyl-Ala-Ala-Nva-thiobenzyl ester as substrate measured for 180 mins by spectrophotometry
50045452	8	ChEMBL_1463431 (CHEMBL3399768)	Inhibition of bovine plasma thrombin using Benzoyl-Phe-Val-Arg-7-amido-4-methylcoumarin hydrochloride by spectrophotometry
50046238	1	ChEMBL_1463504 (CHEMBL3398686)	Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by gel-based excision activity assay
50046238	2	ChEMBL_1463513 (CHEMBL3398695)	Inhibition of MPG in human HeLa cell extracts at 50 to 300 uM using 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by gel-based excision activity assay
50046238	3	ChEMBL_1463512 (CHEMBL3398694)	Inhibition of MPG in human A549 cell extracts at 50 to 300 uM using 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by gel-based excision activity assay
50046238	4	ChEMBL_1463507 (CHEMBL3398689)	Inhibition of human purified MPG binding to immobilized ethenoadenine containing 5'-TCGAGGATCCTGAGCTCGAGTCGACGXTCGCGAATTCTGCGGATCCAAGC-3' duplex oligonucleotide at 5 to 40 uM by SPR assay
50046239	10	ChEMBL_1463523 (CHEMBL3398705)	Inhibition of ALK (unknown origin) by enzymatic assay
50046239	12	ChEMBL_1463522 (CHEMBL3398704)	Inhibition of human ERG by patch clamp cellular assay
50046239	15	ChEMBL_1463551 (CHEMBL3398769)	Inhibition of CYP1A2 (unknown origin)
50046239	13	ChEMBL_1463552 (CHEMBL3398770)	Inhibition of CYP2D6A (unknown origin)
50046239	11	ChEMBL_1463524 (CHEMBL3398706)	Inhibition of ALK (unknown origin) by cellular assay
50046239	14	ChEMBL_1463550 (CHEMBL3398768)	Inhibition of CYP3A4 (unknown origin)
50046239	9	ChEMBL_1463548 (CHEMBL3398766)	Inhibition of CYP2C9 (unknown origin)
50046239	8	ChEMBL_1463549 (CHEMBL3398767)	Inhibition of CYP2C19 (unknown origin)
50045892	137	ChEMBL_1478834 (CHEMBL3430735)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	196	ChEMBL_1478900 (CHEMBL3430372)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	347	ChEMBL_1478613 (CHEMBL3430514)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	314	ChEMBL_1478515 (CHEMBL3430416)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	174	ChEMBL_1478596 (CHEMBL3430497)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	151	ChEMBL_1478819 (CHEMBL3430720)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	353	ChEMBL_1478852 (CHEMBL3430324)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	268	ChEMBL_1478897 (CHEMBL3430369)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	295	ChEMBL_1478884 (CHEMBL3430356)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	176	ChEMBL_1478594 (CHEMBL3430495)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	346	ChEMBL_1478858 (CHEMBL3430330)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	186	ChEMBL_1478586 (CHEMBL3430487)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	308	ChEMBL_1478879 (CHEMBL3430351)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	140	ChEMBL_1478830 (CHEMBL3430731)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	159	ChEMBL_1478812 (CHEMBL3430713)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	216	ChEMBL_1478568 (CHEMBL3430469)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	206	ChEMBL_1478578 (CHEMBL3430479)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	333	ChEMBL_1478866 (CHEMBL3430338)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	157	ChEMBL_1478814 (CHEMBL3430715)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	264	ChEMBL_1478537 (CHEMBL3430438)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	190	ChEMBL_1478909 (CHEMBL3430381)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	341	ChEMBL_1478621 (CHEMBL3430522)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	185	ChEMBL_1478585 (CHEMBL3430486)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	277	ChEMBL_1478882 (CHEMBL3430354)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	316	ChEMBL_1478878 (CHEMBL3430350)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	144	ChEMBL_1478825 (CHEMBL3430726)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	153	ChEMBL_1478818 (CHEMBL3430719)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	318	ChEMBL_1478633 (CHEMBL3430534)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	226	ChEMBL_1478790 (CHEMBL3430691)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	326	ChEMBL_1478860 (CHEMBL3430332)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	294	ChEMBL_1478521 (CHEMBL3430422)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	166	ChEMBL_1478806 (CHEMBL3430707)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	154	ChEMBL_1478815 (CHEMBL3430716)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	255	ChEMBL_1478652 (CHEMBL3430553)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	327	ChEMBL_1478861 (CHEMBL3430333)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	201	ChEMBL_1478575 (CHEMBL3430476)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	243	ChEMBL_1478547 (CHEMBL3430448)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	167	ChEMBL_1478807 (CHEMBL3430708)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	193	ChEMBL_1478905 (CHEMBL3430377)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	338	ChEMBL_1478502 (CHEMBL3430403)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	194	ChEMBL_1478903 (CHEMBL3430375)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	122	ChEMBL_1478847 (CHEMBL3430748)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	118	ChEMBL_1478849 (CHEMBL3430750)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	210	ChEMBL_1478564 (CHEMBL3430465)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	198	ChEMBL_1478587 (CHEMBL3430488)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	260	ChEMBL_1478659 (CHEMBL3430560)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	228	ChEMBL_1478558 (CHEMBL3430459)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	343	ChEMBL_1478850 (CHEMBL3430322)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	238	ChEMBL_1478542 (CHEMBL3430443)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	125	ChEMBL_1478603 (CHEMBL3430504)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	246	ChEMBL_1478545 (CHEMBL3430446)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	170	ChEMBL_1478803 (CHEMBL3430704)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	256	ChEMBL_1478891 (CHEMBL3430363)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	130	ChEMBL_1478843 (CHEMBL3430744)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	274	ChEMBL_1478654 (CHEMBL3430555)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	114	ChEMBL_1478608 (CHEMBL3430509)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	146	ChEMBL_1478820 (CHEMBL3430721)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	215	ChEMBL_1478567 (CHEMBL3430468)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	303	ChEMBL_1478518 (CHEMBL3430419)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	205	ChEMBL_1478571 (CHEMBL3430472)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	252	ChEMBL_1478665 (CHEMBL3430566)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	126	ChEMBL_1478845 (CHEMBL3430746)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	266	ChEMBL_1478534 (CHEMBL3430435)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	310	ChEMBL_1478638 (CHEMBL3430539)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	289	ChEMBL_1478523 (CHEMBL3430424)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	128	ChEMBL_1478842 (CHEMBL3430743)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	298	ChEMBL_1478885 (CHEMBL3430357)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	302	ChEMBL_1478870 (CHEMBL3430342)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	270	ChEMBL_1478898 (CHEMBL3430370)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	219	ChEMBL_1478552 (CHEMBL3430453)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	232	ChEMBL_1478554 (CHEMBL3430455)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	300	ChEMBL_1478630 (CHEMBL3430531)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	227	ChEMBL_1478791 (CHEMBL3430692)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	127	ChEMBL_1478600 (CHEMBL3430501)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	261	ChEMBL_1478539 (CHEMBL3430440)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	189	ChEMBL_1478582 (CHEMBL3430483)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	184	ChEMBL_1478599 (CHEMBL3430500)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	164	ChEMBL_1478808 (CHEMBL3430709)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50019181	1	ChEMBL_423498 (CHEMBL911131)	Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells
50045892	134	ChEMBL_1478838 (CHEMBL3430739)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	342	ChEMBL_1478863 (CHEMBL3430335)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	175	ChEMBL_1478597 (CHEMBL3430498)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	179	ChEMBL_1478593 (CHEMBL3430494)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	273	ChEMBL_1478533 (CHEMBL3430434)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	229	ChEMBL_1478556 (CHEMBL3430457)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	141	ChEMBL_1478828 (CHEMBL3430729)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	213	ChEMBL_1478560 (CHEMBL3430461)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	177	ChEMBL_1478595 (CHEMBL3430496)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	139	ChEMBL_1478832 (CHEMBL3430733)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	117	ChEMBL_1478848 (CHEMBL3430749)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	301	ChEMBL_1478872 (CHEMBL3430344)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	181	ChEMBL_1478591 (CHEMBL3430492)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	138	ChEMBL_1478831 (CHEMBL3430732)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	149	ChEMBL_1478494 (CHEMBL3430395)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	224	ChEMBL_1478551 (CHEMBL3430452)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	283	ChEMBL_1478527 (CHEMBL3430428)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	233	ChEMBL_1478796 (CHEMBL3430697)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	214	ChEMBL_1478569 (CHEMBL3430470)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	263	ChEMBL_1478657 (CHEMBL3430558)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	217	ChEMBL_1478565 (CHEMBL3430466)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	284	ChEMBL_1478528 (CHEMBL3430429)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	121	ChEMBL_1478605 (CHEMBL3430506)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	335	ChEMBL_1478867 (CHEMBL3430339)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	203	ChEMBL_1478573 (CHEMBL3430474)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	293	ChEMBL_1478887 (CHEMBL3430359)	Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automated patch clamp platform
50045892	131	ChEMBL_1478840 (CHEMBL3430741)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	204	ChEMBL_1478570 (CHEMBL3430471)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	267	ChEMBL_1478655 (CHEMBL3430556)	Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWorks Quattro automated patch clamp platform
50045892	145	ChEMBL_1478822 (CHEMBL3430723)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	240	ChEMBL_1478540 (CHEMBL3430441)	Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	331	ChEMBL_1478627 (CHEMBL3430528)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells transfected with KCNQ1 / Kv1.7 / KvLQT1 and KCNE1/minK measured using IonWorks automated patch clamp platform
50045892	136	ChEMBL_1478833 (CHEMBL3430734)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonWorks Barracuda automated patch clamp platform
50045892	180	ChEMBL_1478590 (CHEMBL3430491)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	319	ChEMBL_1478875 (CHEMBL3430347)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	349	ChEMBL_1478856 (CHEMBL3430328)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	116	ChEMBL_1478606 (CHEMBL3430507)	Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using IonWorks Quattro automated patch clamp platform
50045892	325	ChEMBL_1478874 (CHEMBL3430346)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	209	ChEMBL_1478563 (CHEMBL3430464)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	345	ChEMBL_1478857 (CHEMBL3430329)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	340	ChEMBL_1478862 (CHEMBL3430334)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	160	ChEMBL_1478810 (CHEMBL3430711)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	323	ChEMBL_1478873 (CHEMBL3430345)	Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay
50045892	148	ChEMBL_1478498 (CHEMBL3430399)	Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells  (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automated patch clamp platform
50045892	152	ChEMBL_1478817 (CHEMBL3430718)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	249	ChEMBL_1478788 (CHEMBL3430689)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045892	234	ChEMBL_1478555 (CHEMBL3430456)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	231	ChEMBL_1478557 (CHEMBL3430458)	Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform
50045892	244	ChEMBL_1478789 (CHEMBL3430690)	Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using IonWorks Quattro automated patch clamp platform
50045893	71	ChEMBL_1479110 (CHEMBL3436086)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	46	ChEMBL_1479123 (CHEMBL3436099)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	91	ChEMBL_1479066 (CHEMBL3436224)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	89	ChEMBL_1479067 (CHEMBL3436225)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	39	ChEMBL_1479091 (CHEMBL3436067)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	51	ChEMBL_1479087 (CHEMBL3436063)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	49	ChEMBL_1479088 (CHEMBL3436064)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	82	ChEMBL_1479116 (CHEMBL3436092)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	120	ChEMBL_1479166 (CHEMBL3436142)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	78	ChEMBL_1479070 (CHEMBL3436213)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	48	ChEMBL_1479122 (CHEMBL3436098)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	64	ChEMBL_1479114 (CHEMBL3436090)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	146	ChEMBL_1479148 (CHEMBL3436124)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	140	ChEMBL_1479144 (CHEMBL3436120)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	37	ChEMBL_1479093 (CHEMBL3436069)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	102	ChEMBL_1479107 (CHEMBL3436083)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	79	ChEMBL_1479119 (CHEMBL3436095)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	106	ChEMBL_1479059 (CHEMBL3436217)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	80	ChEMBL_1479118 (CHEMBL3436094)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	128	ChEMBL_1479157 (CHEMBL3436133)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit
50045893	30	ChEMBL_1479098 (CHEMBL3436074)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	111	ChEMBL_1479175 (CHEMBL3436151)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	81	ChEMBL_1479117 (CHEMBL3436093)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	105	ChEMBL_1479104 (CHEMBL3436080)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	66	ChEMBL_1479079 (CHEMBL3436055)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	61	ChEMBL_1479128 (CHEMBL3436104)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	132	ChEMBL_1479153 (CHEMBL3436129)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	90	ChEMBL_1479100 (CHEMBL3436076)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	45	ChEMBL_1479124 (CHEMBL3436100)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	96	ChEMBL_1479061 (CHEMBL3436219)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	43	ChEMBL_1479137 (CHEMBL3436113)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	119	ChEMBL_1479167 (CHEMBL3436143)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	95	ChEMBL_1479062 (CHEMBL3436220)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	31	ChEMBL_1479131 (CHEMBL3436107)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	40	ChEMBL_1479090 (CHEMBL3436066)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	100	ChEMBL_1479109 (CHEMBL3436085)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	87	ChEMBL_1479068 (CHEMBL3436226)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	72	ChEMBL_1479076 (CHEMBL3436052)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	92	ChEMBL_1479065 (CHEMBL3436223)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	24	ChEMBL_1479136 (CHEMBL3436112)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	77	ChEMBL_1479071 (CHEMBL3436214)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	47	ChEMBL_1479089 (CHEMBL3436065)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	25	ChEMBL_1479135 (CHEMBL3436111)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	26	ChEMBL_1479134 (CHEMBL3436110)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit
50045893	118	ChEMBL_1479168 (CHEMBL3436144)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	109	ChEMBL_1479177 (CHEMBL3436153)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	121	ChEMBL_1479165 (CHEMBL3436141)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	144	ChEMBL_1479140 (CHEMBL3436116)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	141	ChEMBL_1479143 (CHEMBL3436119)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit
50045893	76	ChEMBL_1479072 (CHEMBL3436215)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	75	ChEMBL_1479073 (CHEMBL3436216)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	84	ChEMBL_1479103 (CHEMBL3436079)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	103	ChEMBL_1479106 (CHEMBL3436082)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	108	ChEMBL_1479178 (CHEMBL3436154)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	29	ChEMBL_1479132 (CHEMBL3436108)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	139	ChEMBL_1479145 (CHEMBL3436121)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	99	ChEMBL_1479180 (CHEMBL3436156)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	135	ChEMBL_1479150 (CHEMBL3436126)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	134	ChEMBL_1479151 (CHEMBL3436127)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	60	ChEMBL_1479129 (CHEMBL3436105)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	98	ChEMBL_1479181 (CHEMBL3436157)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	36	ChEMBL_1479094 (CHEMBL3436070)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	145	ChEMBL_1479149 (CHEMBL3436125)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	110	ChEMBL_1479176 (CHEMBL3436152)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	107	ChEMBL_1479179 (CHEMBL3436155)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	83	ChEMBL_1479115 (CHEMBL3436091)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	62	ChEMBL_1479127 (CHEMBL3436103)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	116	ChEMBL_1479170 (CHEMBL3436146)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	73	ChEMBL_1479075 (CHEMBL3436051)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	94	ChEMBL_1479063 (CHEMBL3436221)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	126	ChEMBL_1479160 (CHEMBL3436136)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	33	ChEMBL_1479130 (CHEMBL3436106)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	124	ChEMBL_1479162 (CHEMBL3436138)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	136	ChEMBL_1479159 (CHEMBL3436135)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	69	ChEMBL_1479111 (CHEMBL3436087)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	65	ChEMBL_1479113 (CHEMBL3436089)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	112	ChEMBL_1479174 (CHEMBL3436150)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	127	ChEMBL_1479158 (CHEMBL3436134)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	129	ChEMBL_1479156 (CHEMBL3436132)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	53	ChEMBL_1479086 (CHEMBL3436062)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	88	ChEMBL_1479101 (CHEMBL3436077)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	59	ChEMBL_1479080 (CHEMBL3436056)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	58	ChEMBL_1479081 (CHEMBL3436057)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	133	ChEMBL_1479152 (CHEMBL3436128)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	130	ChEMBL_1479155 (CHEMBL3436131)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	38	ChEMBL_1479092 (CHEMBL3436068)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	42	ChEMBL_1479138 (CHEMBL3436114)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes
50045893	41	ChEMBL_1479139 (CHEMBL3436115)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	123	ChEMBL_1479163 (CHEMBL3436139)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	67	ChEMBL_1479112 (CHEMBL3436088)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	122	ChEMBL_1479164 (CHEMBL3436140)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	27	ChEMBL_1479133 (CHEMBL3436109)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	63	ChEMBL_1479126 (CHEMBL3436102)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Chinese hamster ovary cells heterologically expressing alpha-1C subunit
50045893	74	ChEMBL_1479074 (CHEMBL3436050)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	93	ChEMBL_1479064 (CHEMBL3436222)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	117	ChEMBL_1479169 (CHEMBL3436145)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	52	ChEMBL_1479120 (CHEMBL3436096)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in Xenopus oocyte heterologically expressing alpha-1C subunit
50045893	34	ChEMBL_1479096 (CHEMBL3436072)	Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes
50045893	142	ChEMBL_1479142 (CHEMBL3436118)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045893	137	ChEMBL_1479147 (CHEMBL3436123)	Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit
50045894	1	ChEMBL_1485117 (CHEMBL3540468)	Mechanism-based inhibition of recombinant human CYP2C9 expressed in microsomes isolated from Saccharomyces cerevisiae AH22 cells assessed as diclofenac 4'-hydroxylation preincubated for 5 to 10 mins followed by substrate addition measured after 15 mins by HPLC analysis
50046240	11	ChEMBL_1486541 (CHEMBL3532210)	Mixed inhibition of CYP2A13 (unknown origin)
50046240	7	ChEMBL_1486539 (CHEMBL3532208)	Competitive inhibition of CYP2A13 (unknown origin)
50046240	8	ChEMBL_1486542 (CHEMBL3532211)	Mixed inhibition of CYP2A6 (unknown origin)
50046240	12	ChEMBL_1486540 (CHEMBL3532209)	Competitive inhibition of CYP2A6 (unknown origin)
50046240	10	ChEMBL_1488922 (CHEMBL3535231)	Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm
50046240	13	ChEMBL_1486536 (CHEMBL3532205)	Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nm
50046240	14	ChEMBL_1486535 (CHEMBL3532204)	Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nm
50046240	9	ChEMBL_1488921 (CHEMBL3535230)	Binding affinity to CYP2A13 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nm
50046241	1	ChEMBL_1446415 (CHEMBL3375529)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices membrane by liquid scintillation counting analysis
50046241	2	ChEMBL_1446414 (CHEMBL3375528)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis
50046242	1	ChEMBL_1446430 (CHEMBL3375544)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50046242	2	ChEMBL_1446433 (CHEMBL3376125)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50046243	1	ChEMBL_1447268 (CHEMBL3378611)	Induction of procaspase 3 activity (unknown origin) using Ac-DEVD-pNa as substrate after 2 hrs
50046244	1	ChEMBL_1447329 (CHEMBL3379753)	Displacement of [3H]KA from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation counting
50046244	2	ChEMBL_1447325 (CHEMBL3379224)	Displacement of [3H]SYM2081 from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillation counting
50046244	3	ChEMBL_1447324 (CHEMBL3379223)	Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillation counting
50046244	4	ChEMBL_1447326 (CHEMBL3379750)	Displacement of [3H]KA from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillation counting
50046244	5	ChEMBL_1447327 (CHEMBL3379751)	Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation counting
50046244	6	ChEMBL_1447328 (CHEMBL3379752)	Displacement of [3H]SYM2081 from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation counting
50046245	4	ChEMBL_1448249 (CHEMBL3375022)	Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA/time-resolved fluorometry
50046245	3	ChEMBL_1448250 (CHEMBL3375023)	Inhibition of histidine-tagged recombinant EGFR cytoplasmic domain (amino acids 645-1186) (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA/time-resolved fluorometry
50019185	5	ChEMBL_423517 (CHEMBL912291)	Agonist activity at human mGluR8 assessed as effect on cAMP production in RGT cells
50019185	2	ChEMBL_423513 (CHEMBL910519)	Displacement of [3H]LY341495 from human recombinant mGluR2 in RGT cells
50019185	1	ChEMBL_423514 (CHEMBL910532)	Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells
50019185	4	ChEMBL_423515 (CHEMBL910533)	Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT cells
50019185	3	ChEMBL_423516 (CHEMBL907027)	Agonist activity at human mGluR3 assessed as effect on cAMP production in RGT cells
50019188	2	ChEMBL_423668 (CHEMBL913433)	Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells
50019188	6	ChEMBL_423671 (CHEMBL912896)	Activity at human bradykinin B1 receptor assessed as inhibition of Des-arg kallidin-induced increase of cytosolic calcium in CHO cells by FLIPR
50019188	1	ChEMBL_423710 (CHEMBL913022)	Inhibition of human bradykinin B2 receptor
50019188	3	ChEMBL_423683 (CHEMBL853765)	Binding affinity to rhesus monkey bradykinin B1 receptor
50019188	5	ChEMBL_423681 (CHEMBL853755)	Binding affinity to rat bradykinin B1 receptor
50019188	4	ChEMBL_423682 (CHEMBL853760)	Binding affinity to rabbit bradykinin B1 receptor
50019193	2	ChEMBL_423718 (CHEMBL855468)	Displacement of [3H]Ile5,6-deltorphin from delta opioid receptor in Wistar rat brain membrane
50019193	1	ChEMBL_423717 (CHEMBL855467)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane
50046204	3	ChEMBL_1441431 (CHEMBL3373386)	Inhibition of human recombinant full length HDAC3 using (Ac)-Lys-Tyr-Lys(-acetyl)-AMC substrate after 30 mins
50046204	2	ChEMBL_1441432 (CHEMBL3373387)	Inhibition of human recombinant full length HDAC6 using (Boc-Lys (-acetyl)-AMC substrate after 30 mins
50046204	1	ChEMBL_1441430 (CHEMBL3373385)	Inhibition of human recombinant full length HDAC1 using (Ac)-Lys-Tyr-Lys(-acetyl)-AMC substrate after 30 mins
50019196	1	ChEMBL_423773 (CHEMBL853712)	Inhibition of TPA-induced ODC activity in T24 cells
50046246	1	ChEMBL_1441437 (CHEMBL3373392)	Inhibition of rat liver 5alpha-reductase type 1 assessed as conversion of [3H]testosterone to dihydrotestosterone
50046246	2	ChEMBL_1441438 (CHEMBL3373987)	Inhibition of human prostate 5alpha-reductase type 2 assessed as conversion of [3H]testosterone to dihydrotestosterone
50046247	1	ChEMBL_1441443 (CHEMBL3373992)	Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis
50046247	2	ChEMBL_1441442 (CHEMBL3373991)	Inhibition of JNK (unknown origin)
50046248	1	ChEMBL_1441457 (CHEMBL3374006)	Inhibition of bovine brain tubulin polymerization incubated for 90 mins by fluorescence-based assay
50046249	1	ChEMBL_1441461 (CHEMBL3374010)	Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 1 hr in presence of [gamma-33P]ATP by scintillation counting analysis
50046249	2	ChEMBL_1441462 (CHEMBL3374011)	Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 1 hr in presence of [gamma-33P]ATP by scintillation counting analysis
50046249	3	ChEMBL_1441460 (CHEMBL3374009)	Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 1 hr in presence of [gamma-33P]ATP by scintillation counting analysis
50046249	4	ChEMBL_1442270 (CHEMBL3377096)	Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis
50046250	1	ChEMBL_1442308 (CHEMBL3377669)	Competitive binding to human GST-tagged PPAR-gamma by TR-FRET assay
50046250	2	ChEMBL_1442318 (CHEMBL3377679)	Binding affinity to PPAR-gamma (unknown origin)
50046251	1	ChEMBL_1442319 (CHEMBL3377680)	Agonist activity at human NMU2R transfected in HEK293 cells after 7 hrs by luciferase reporter gene assay
50046252	1	ChEMBL_1443094 (CHEMBL3380800)	Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50046252	2	ChEMBL_1443095 (CHEMBL3380801)	Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50046252	3	ChEMBL_1443097 (CHEMBL3380803)	Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019201	1	ChEMBL_423813 (CHEMBL911274)	Activation of human PPARalpha by GST pull down assay
50046252	4	ChEMBL_1443098 (CHEMBL3380804)	Inhibition of human JAK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50046252	5	ChEMBL_1443099 (CHEMBL3380805)	Inhibition of human JAK3 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019205	2	ChEMBL_421696 (CHEMBL854890)	Displacement of 3H-dofetilide from hERG-expressing HEK membrane homogenates
50019205	1	ChEMBL_421700 (CHEMBL854908)	Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells
50019205	3	ChEMBL_421699 (CHEMBL854900)	Inhibition of CYP3A4
50046252	6	ChEMBL_1443100 (CHEMBL3380806)	Inhibition of human CDK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019207	1	ChEMBL_454024 (CHEMBL903211)	Inhibition of ACC1
50046252	7	ChEMBL_1443091 (CHEMBL3380797)	Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after 30 mins by malachite green staining-based assay
50046252	8	ChEMBL_1443101 (CHEMBL3380807)	Inhibition of human CDK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019209	7	ChEMBL_446808 (CHEMBL897107)	Inhibition of Lck
50019209	3	ChEMBL_446811 (CHEMBL897110)	Inhibition of Fgr
50019209	2	ChEMBL_446813 (CHEMBL897112)	Inhibition of Tie2
50019209	5	ChEMBL_446810 (CHEMBL897109)	Inhibition of Src
50019209	8	ChEMBL_446809 (CHEMBL897108)	Inhibition of Hck
50019209	1	ChEMBL_446815 (CHEMBL897114)	Inhibition of KDR
50019209	6	ChEMBL_446820 (CHEMBL897119)	Inhibition of Lyn
50019209	4	ChEMBL_446812 (CHEMBL897111)	Inhibition of Fyn
50019211	1	ChEMBL_446825 (CHEMBL897124)	Inhibition of VEGFR2
50019212	1	ChEMBL_454054 (CHEMBL903245)	Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells
50019213	1	ChEMBL_454055 (CHEMBL903246)	Antagonist activity at human adenosine A2A receptor
50019214	1	ChEMBL_454062 (CHEMBL903253)	Inhibition of MBP fused human MCD
50019217	1	ChEMBL_441650 (CHEMBL891881)	Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells
50019219	5	ChEMBL_435551 (CHEMBL903910)	Displacement of [125I]Nle4-D-Phe7-alpha-MSH from human MC4 receptor expressed in COS1 cells
50019219	1	ChEMBL_435555 (CHEMBL903914)	Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membranes
50019219	7	ChEMBL_435557 (CHEMBL903916)	Displacement of [3H]DAMGO from mu opiate receptor in rat brain membranes
50019219	4	ChEMBL_435552 (CHEMBL903911)	Displacement of [3H]paroxatine from SET in rat cortical membranes
50019219	8	ChEMBL_435558 (CHEMBL903917)	Displacement of [3H]DPDPE from delta opiate receptor in rat brain membranes
50019219	6	ChEMBL_435556 (CHEMBL903915)	Displacement of [3H]pyrilamine from histamine H1 receptor in rat brain membranes
50019219	3	ChEMBL_435553 (CHEMBL903912)	Displacement of [3H]nisoxetine from NET in rat cortical membranes
50019220	1	ChEMBL_454087 (CHEMBL903278)	Binding affinity to human adenosine A2A receptor
50019220	2	ChEMBL_454091 (CHEMBL903282)	Binding affinity to rat adenosine A2A receptor
50019220	3	ChEMBL_454097 (CHEMBL903288)	Binding affinity to human adenosine A1 receptor
50019220	5	ChEMBL_454099 (CHEMBL903290)	Binding affinity to human adenosine A3 receptor
50019220	4	ChEMBL_454098 (CHEMBL903289)	Binding affinity to human adenosine A2B receptor
50046252	9	ChEMBL_1443102 (CHEMBL3380808)	Inhibition of human CDK9 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019226	2	ChEMBL_435561 (CHEMBL903920)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp method
50019226	3	ChEMBL_435559 (CHEMBL903918)	Binding affinity at MCHR1 by flash plate radioligand binding assay
50019226	1	ChEMBL_435560 (CHEMBL903919)	Inhibition of MCHR1
50019231	6	ChEMBL_454144 (CHEMBL903333)	Inhibition of SRC
50019231	8	ChEMBL_454132 (CHEMBL903321)	Inhibition of human cytoplasmic VEGFR2 expressed in baculovirus after 15 mins by time resolved fluorescence assay
50019231	4	ChEMBL_454142 (CHEMBL903331)	Inhibition of VEGFR1
50019231	2	ChEMBL_454147 (CHEMBL903336)	Inhibition of TRK A
50019231	1	ChEMBL_454148 (CHEMBL903337)	Inhibition of FLT3
50019231	3	ChEMBL_454146 (CHEMBL903335)	Inhibition of cMet
50019231	7	ChEMBL_454145 (CHEMBL903334)	Inhibition of Tie2
50019236	1	ChEMBL_454158 (CHEMBL903347)	Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells
50019241	3	ChEMBL_435592 (CHEMBL903951)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50019241	2	ChEMBL_435591 (CHEMBL903950)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50019241	1	ChEMBL_435590 (CHEMBL903949)	Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50019257	6	ChEMBL_425210 (CHEMBL855156)	Antagonistic activity at human bradykinin B1 receptor expressed in CHO cells assessed as effect on DAK-mediated calcium mobilization
50019257	5	ChEMBL_425211 (CHEMBL855157)	Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D cells
50019257	2	ChEMBL_425214 (CHEMBL855160)	Antagonistic activity at rat bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization
50019257	4	ChEMBL_425212 (CHEMBL855158)	Displacement of [3H]bradykinin from human bradykinin B2 receptor expressed in CHO-K1 cells
50019257	1	ChEMBL_425235 (CHEMBL855800)	Antagonistic activity at African green monkey bradykinin B1 receptor assessed as effect on DAK-mediated calcium mobilization
50019257	3	ChEMBL_425213 (CHEMBL855159)	Antagonistic activity at rabbit bradykinin B1 receptor expressed in CHO-D cells assessed as effect on DAK-mediated calcium mobilization
50025145	1	ChEMBL_504850 (CHEMBL983997)	Inhibition of integrin alphaVbeta6 receptor-dependent adhesion of mouse 3T3beta6.19 cells to TGFbeta latency associated peptides relative to control
50025145	2	ChEMBL_504851 (CHEMBL983998)	Inhibition of integrin alphaVbeta6 receptor-dependent adhesion of human VB6 cells to TGFbeta latency associated peptides relative to control
50019262	5	ChEMBL_425253 (CHEMBL856830)	Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells
50019262	2	ChEMBL_425258 (CHEMBL856834)	Inhibition of CYP2C9 in human liver microsomes
50019262	1	ChEMBL_425257 (CHEMBL856833)	Inhibition of CYP2D6 in human liver microsomes
50019262	4	ChEMBL_425252 (CHEMBL856829)	Activity at human NR2A expressed in Ltk- cells by calcium flux assay
50019262	3	ChEMBL_425259 (CHEMBL856835)	Inhibition of CYP3A4 in human liver microsomes
50019262	7	ChEMBL_425251 (CHEMBL856828)	Antagonist activity at human NR2B expressed in Ltk- cells by calcium flux assay
50019262	6	ChEMBL_425254 (CHEMBL856827)	Displacement of [35S]MK-499 from hERG potassium channel expressed in HEK293 cells
50019264	1	ChEMBL_425375 (CHEMBL909070)	Inhibition of PTP1B expressed in human HepG2 cells
50019268	1	ChEMBL_420454 (CHEMBL854904)	Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes
50019271	2	ChEMBL_454169 (CHEMBL903358)	Inhibition of human recombinant caspase 1
50019271	4	ChEMBL_454171 (CHEMBL903360)	Inhibition of human recombinant caspase 7
50019271	5	ChEMBL_454172 (CHEMBL903361)	Inhibition of human recombinant caspase 8
50019271	1	ChEMBL_454170 (CHEMBL903359)	Inhibition of human recombinant caspase 3
50019271	3	ChEMBL_454173 (CHEMBL903362)	Inhibition of human recombinant caspase 3 in NT2 by whole cell assay
50019273	2	ChEMBL_441841 (CHEMBL890992)	Displacement of [3H]nemonapride from human cloned dopamine D4.2 receptor
50019273	1	ChEMBL_441843 (CHEMBL890994)	Displacement of [3H]ketanserin from rat 5HT2A receptor
50019273	3	ChEMBL_441842 (CHEMBL890993)	Displacement of [3H]spiperone from human cloned dopamine D2L receptor
50025147	2	ChEMBL_508463 (CHEMBL1002142)	Inhibition of basal ATPase activity of human Eg5
50025147	1	ChEMBL_508464 (CHEMBL1002143)	Inhibition of microtubule-stimulated human Eg5 ATPase activity
50019297	1	ChEMBL_438240 (CHEMBL887349)	Displacement of [3H]spiperone from human cloned dopamine D2L receptor
50019297	3	ChEMBL_438239 (CHEMBL887348)	Displacement of [3H]ketanserin from rat cloned 5HT2A receptor
50019297	2	ChEMBL_438238 (CHEMBL887347)	Displacement of [3H]nemonapride from human cloned dopamine D4.2 receptor
50019299	3	ChEMBL_441867 (CHEMBL891018)	Displacement of [125]HEAT from human adrenergic alpha-1a receptor expressed in CHO cells
50019299	1	ChEMBL_441869 (CHEMBL891020)	Displacement of [125]HEAT from human adrenergic alpha-1d receptor expressed in CHO cells
50019299	2	ChEMBL_441868 (CHEMBL891019)	Displacement of [125]HEAT from human adrenergic alpha-1b receptor expressed in CHO cells
50046252	10	ChEMBL_1443096 (CHEMBL3380802)	Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay
50019304	2	ChEMBL_425540 (CHEMBL911377)	Inhibition of MMP3
50019304	5	ChEMBL_425538 (CHEMBL911375)	Inhibition of MMP1
50019304	4	ChEMBL_425537 (CHEMBL911374)	Inhibition of ADAM10
50019304	3	ChEMBL_425536 (CHEMBL911373)	Inhibition of Her2 sheddase activity in BT474 cell line
50019304	6	ChEMBL_425539 (CHEMBL911376)	Inhibition of MMP2
50019311	1	ChEMBL_422016 (CHEMBL908252)	Inhibition of HDAC1
50019313	4	ChEMBL_458927 (CHEMBL924946)	Inhibition of human recombinant catalytic domain CA9
50019313	1	ChEMBL_458929 (CHEMBL924948)	Inhibition of human recombinant full length CA14
50019313	5	ChEMBL_458926 (CHEMBL924945)	Inhibition of human recombinant CA2
50019313	3	ChEMBL_458925 (CHEMBL924944)	Inhibition of human recombinant carbonic anhydrase 1
50019313	2	ChEMBL_458928 (CHEMBL924947)	Inhibition of human recombinant catalytic domain CA12
50046253	1	ChEMBL_1443127 (CHEMBL3371687)	Modulation activity at human GPR40 expressed in HEK293 cells by IP-1 detection based HTRF assay
50046254	1	ChEMBL_1443129 (CHEMBL3371689)	Inhibition of intracellular IDO1 activity in human HeLa cells assessed as L-kynurenine production by Ehrlichs test
50046255	1	ChEMBL_1443132 (CHEMBL3371692)	Inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by spectrophotometry
50046255	2	ChEMBL_1443133 (CHEMBL3371693)	Inhibition of TC-PTP (unknown origin) using p-nitrophenylphosphate as substrate by spectrophotometry
50046255	3	ChEMBL_1443134 (CHEMBL3371694)	Inhibition of human LMW-PTP IF1 using p-nitrophenylphosphate as substrate by spectrophotometry
50046255	4	ChEMBL_1443135 (CHEMBL3371695)	Inhibition of human LMW-PTP IF2 using p-nitrophenylphosphate as substrate by spectrophotometry
50046255	5	ChEMBL_1443136 (CHEMBL3371696)	Mixed-type inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method
50046255	6	ChEMBL_1443137 (CHEMBL3371697)	Non-competitive inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method
50046256	1	ChEMBL_1431427 (CHEMBL3389270)	Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 as substrate after 40 mins by spectrofluorimetry
50019316	3	ChEMBL_454226 (CHEMBL903407)	Displacement of [3H]5-hydroxytrytamine from human 5HT1B receptor expressed in HEK293 cells
50046256	2	ChEMBL_1431426 (CHEMBL3389269)	Inhibition of human recombinant GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	3	ChEMBL_1431425 (CHEMBL3389268)	Inhibition of human recombinant MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50019316	1	ChEMBL_454227 (CHEMBL903410)	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells
50046256	4	ChEMBL_1431424 (CHEMBL3388713)	Inhibition of human recombinant MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	5	ChEMBL_1431423 (CHEMBL3388712)	Inhibition of human recombinant MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	6	ChEMBL_1431422 (CHEMBL3388711)	Inhibition of human recombinant MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	7	ChEMBL_1431421 (CHEMBL3388710)	Inhibition of human recombinant MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	8	ChEMBL_1431420 (CHEMBL3388709)	Inhibition of human recombinant MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	9	ChEMBL_1431419 (CHEMBL3388708)	Inhibition of human recombinant MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50046256	10	ChEMBL_1431418 (CHEMBL3388707)	Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry
50019320	1	ChEMBL_454261 (CHEMBL903444)	Displacement of [125I]Tyr-o-CRF from CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF stimulated cAMP production
50019327	1	ChEMBL_441961 (CHEMBL891105)	Inhibition of mouse COX2
50019327	2	ChEMBL_441962 (CHEMBL891106)	Inhibition of ovine COX1
50046257	2	ChEMBL_1432406 (CHEMBL3385129)	Inhibition of c-KIT (unknown origin)
50046257	3	ChEMBL_1432405 (CHEMBL3385128)	Inhibition of RON (unknown origin)
50046257	4	ChEMBL_1432407 (CHEMBL3385130)	Inhibition of FLT3 (unknown origin)
50046257	5	ChEMBL_1432408 (CHEMBL3385131)	Inhibition of KDR (unknown origin)
50046257	6	ChEMBL_1432409 (CHEMBL3385132)	Inhibition of EGFR (unknown origin)
50046257	7	ChEMBL_1432398 (CHEMBL3385121)	Inhibition of c-Met (unknown origin)
50046258	1	ChEMBL_1432428 (CHEMBL3385710)	Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes without cerebellum
50046258	2	ChEMBL_1432427 (CHEMBL3385150)	Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes without cerebellum
50019346	2	ChEMBL_425682 (CHEMBL911998)	Antagonist activity against human S1P3 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
50019346	1	ChEMBL_425681 (CHEMBL911997)	Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
50019347	2	ChEMBL_425686 (CHEMBL912002)	Displacement of [125]metastin from metastin receptor
50019347	1	ChEMBL_425687 (CHEMBL912003)	Activity at metastin receptor expressed in HEK293 cells by measuring calcium release
50019350	6	ChEMBL_425701 (CHEMBL913683)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50019350	4	ChEMBL_425699 (CHEMBL912015)	Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane
50019350	7	ChEMBL_425700 (CHEMBL913682)	Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane
50019350	2	ChEMBL_425697 (CHEMBL912013)	Displacement of [3H]spiperone from human dopamine D2(long) expressed in CHO cell membrane
50019350	1	ChEMBL_425696 (CHEMBL912012)	Displacement of [3H]SCH 23990 from porcine dopamine D1 in porcine striatal membrane
50019350	3	ChEMBL_425698 (CHEMBL912014)	Displacement of [3H]spiperone from human dopamine D2(short) expressed in CHO cell membrane
50019351	1	ChEMBL_425708 (CHEMBL913690)	Agonist activity at mu opioid receptor by inhibition of electrically evoked muscle contraction in guinea pig ileum
50019351	2	ChEMBL_425710 (CHEMBL913692)	Agonist activity at delta opioid receptor by inhibition of electrically evoked muscle contraction in isolated mouse vas deferens
50019351	3	ChEMBL_425712 (CHEMBL913694)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50046258	3	ChEMBL_1432429 (CHEMBL3385711)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum
50019351	6	ChEMBL_425704 (CHEMBL913686)	Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay
50019351	5	ChEMBL_425713 (CHEMBL913695)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50019355	2	ChEMBL_425774 (CHEMBL855766)	Antagonist activity against human CCR8 expressed in CHO/Galpha16 cells assessed as inhibition of CCL1-induced increase of intracellular calcium by FLIPR assay
50019355	1	ChEMBL_425772 (CHEMBL855762)	Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay
50019355	4	ChEMBL_425780 (CHEMBL855770)	Binding affinity to hERG expressed in HEK293 cells
50019355	3	ChEMBL_425779 (CHEMBL855761)	Inhibition of CYP3A4
50019360	4	ChEMBL_454295 (CHEMBL903473)	Inhibition of [3H]DA from human DAT expressed in HEK293 cells
50019360	2	ChEMBL_454297 (CHEMBL903475)	Inhibition of human CYP2D6
50019360	5	ChEMBL_454293 (CHEMBL902422)	Inhibition of [3H]5-HT from human SERT expressed in HEK293 cells
50019360	3	ChEMBL_454294 (CHEMBL902423)	Inhibition of [3H]NA from human NET expressed in HEK293 cells
50019360	1	ChEMBL_454299 (CHEMBL903477)	Inhibition of hERG
50019363	2	ChEMBL_446847 (CHEMBL897146)	Inhibition of human recombinant ACC1
50046258	4	ChEMBL_1432431 (CHEMBL3385713)	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046258	5	ChEMBL_1433275 (CHEMBL3388813)	Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046258	6	ChEMBL_1433276 (CHEMBL3388814)	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046259	6	ChEMBL_1433281 (CHEMBL3389388)	Binding affinity to human ORL1 receptor expressed in African green monkey COS7 cells assessed per mg protein after 90 mins by Scatchard plot analysis
50046259	9	ChEMBL_1433286 (CHEMBL3389393)	Displacement of [3H]]isoVa-RYYRIK-NH2 from human ORL1 receptor high affinity binding site expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046259	7	ChEMBL_1433292 (CHEMBL3389399)	Displacement of [3H]]nociceptin from human ORL1 receptor low affinity binding site expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046259	5	ChEMBL_1433282 (CHEMBL3389389)	Displacement of [3H]]nociceptin from human ORL1 receptor expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046230	4	ChEMBL_1455948 (CHEMBL3365706)	Inhibition of human recombinant DPP4 pre-incubated with compound for 15 mins before substrate addition by luminescence assay
50019364	1	ChEMBL_441976 (CHEMBL891120)	Inhibition of mushroom tyrosinase
50019366	3	ChEMBL_441978 (CHEMBL891122)	Inhibition of human MMP2
50019366	2	ChEMBL_441980 (CHEMBL891124)	Inhibition of human MMP8
50019366	4	ChEMBL_441979 (CHEMBL891123)	Inhibition of human MMP3
50019366	1	ChEMBL_441981 (CHEMBL891125)	Inhibition of human MMP13
50019374	1	ChEMBL_454315 (CHEMBL903493)	Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells
50019374	2	ChEMBL_454316 (CHEMBL903494)	Inhibition of EGFR
50019374	6	ChEMBL_454324 (CHEMBL903502)	Inhibition of CDK2
50019374	5	ChEMBL_454321 (CHEMBL903499)	Inhibition of Met kinase
50019374	4	ChEMBL_454322 (CHEMBL903500)	Inhibition of LCK kinase
50019374	3	ChEMBL_454323 (CHEMBL903501)	Inhibition of VEGFR2
50019376	1	ChEMBL_438276 (CHEMBL887382)	Inhibition of APN
50019377	2	ChEMBL_454343 (CHEMBL903521)	Binding affinity at CB2 receptor
50019377	1	ChEMBL_454342 (CHEMBL903520)	Binding affinity at CB1 receptor
50019384	1	ChEMBL_446882 (CHEMBL897181)	Inhibition of ACAT in Albino rabbit intestinal mucosa
50019389	1	ChEMBL_435712 (CHEMBL904066)	Activity at ER assessed as enhancement of estrogen response element-driven gene transactivation in MVLN cells after 24 hrs by luciferase reporter gene assay relative to control
50019397	1	ChEMBL_454401 (CHEMBL903578)	Inhibition of Akt after 1 hr by fluorescence polarization assay
50019399	2	ChEMBL_447044 (CHEMBL897345)	Inhibition of CYP2C9
50019399	1	ChEMBL_447047 (CHEMBL897348)	Inhibition of CYP3A4
50019399	3	ChEMBL_447043 (CHEMBL897344)	Inhibition of CYP1A2
50019399	5	ChEMBL_447045 (CHEMBL897346)	Inhibition of CYP2C19
50019399	6	ChEMBL_446901 (CHEMBL896076)	Inhibition of MTP assessed as inhibition of apoB secretion from human HepG2 cells
50019399	4	ChEMBL_447046 (CHEMBL897347)	Inhibition of CYP2D6
50046234	3	ChEMBL_1461213 (CHEMBL3395776)	Inhibition of c-src kinase (unknown origin)
50046260	1	ChEMBL_1461214 (CHEMBL3395777)	Inhibition of JNK3 (unknown origin) assessed as phosphorylation of ATF-2 by ELISA
50046260	2	ChEMBL_1461215 (CHEMBL3395778)	Inhibition of p38alpha (unknown origin) assessed as phosphorylation of ATF-2 by ELISA
50019407	4	ChEMBL_447059 (CHEMBL897360)	Inhibition of TACE in human whole blood
50019407	10	ChEMBL_447089 (CHEMBL897390)	Inhibition of MMP13
50019407	3	ChEMBL_447082 (CHEMBL897383)	Inhibition of MMP1
50019407	6	ChEMBL_447085 (CHEMBL897386)	Inhibition of MMP7
50019407	8	ChEMBL_447083 (CHEMBL897384)	Inhibition of MMP2
50019407	5	ChEMBL_447058 (CHEMBL897359)	Inhibition of pig TACE
50019407	12	ChEMBL_447088 (CHEMBL897389)	Inhibition of MMP10
50019407	7	ChEMBL_447086 (CHEMBL897387)	Inhibition of MMP8
50019407	2	ChEMBL_447091 (CHEMBL897392)	Inhibition of MMP15
50019407	9	ChEMBL_447084 (CHEMBL897385)	Inhibition of MMP3
50019412	1	ChEMBL_442080 (CHEMBL891221)	Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of intracellular calcium ion mobilization by FLIPR assay
50046261	1	ChEMBL_1462450 (CHEMBL3396001)	Transactivation of human FXR expressed in human HeLa cells incubated for 24 hrs by luciferase reporter gene assay
50046261	2	ChEMBL_1462443 (CHEMBL3395994)	Transactivation of Gal4-tagged PPARgamma ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by luciferase reporter gene assay
50046261	3	ChEMBL_1462439 (CHEMBL3395861)	Transactivation of Gal4-tagged PPARalpha ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by luciferase reporter gene assay
50046261	4	ChEMBL_1462448 (CHEMBL3395999)	Transactivation of Gal4-tagged PPARdelta ligand binding domain (unknown origin) expressed in COS7 cells measured after overnight incubation by luciferase reporter gene assay
50025149	4	ChEMBL_508474 (CHEMBL1002153)	Inhibition of human non-glycosylated PAI1 using tissue type plasminogen activator substrate by direct chromogenic assay
50025149	3	ChEMBL_508475 (CHEMBL1002154)	Inhibition of human non-glycosylated PAI1 using urokinase type plasminogen activator substrate by direct chromogenic assay
50025149	6	ChEMBL_508476 (CHEMBL1002155)	Inhibition of human glycosylated PAI1 using tissue type plasminogen activator substrate by direct chromogenic assay
50025149	5	ChEMBL_508477 (CHEMBL1002353)	Inhibition of human glycosylated PAI1 using urokinase type plasminogen activator substrate by direct chromogenic assay
50025149	2	ChEMBL_508478 (CHEMBL1002354)	Binding affinity to human immobilized PAI1 by surface plasmon resonance
50025149	1	ChEMBL_508479 (CHEMBL1002355)	Inhibition of vitronectin binding to human PAI1
50019418	1	ChEMBL_425829 (CHEMBL855204)	Inhibition of human PTP1B
50019421	1	ChEMBL_454457 (CHEMBL903634)	Inhibition of Ack1
50019421	4	ChEMBL_454458 (CHEMBL902547)	Inhibition of Lck
50019421	7	ChEMBL_454475 (CHEMBL886501)	Inhibition of Tie2
50019421	3	ChEMBL_454468 (CHEMBL902557)	Inhibition of Src
50019421	6	ChEMBL_454474 (CHEMBL886500)	Inhibition of Jak2
50019421	2	ChEMBL_454469 (CHEMBL902558)	Inhibition of EGFR
50019421	9	ChEMBL_454471 (CHEMBL902560)	Inhibition of ZAP70
50019421	8	ChEMBL_454470 (CHEMBL902559)	Inhibition of Jak3
50019421	5	ChEMBL_454472 (CHEMBL902561)	Inhibition of KDR
50019436	1	ChEMBL_428092 (CHEMBL914264)	Displacement of [3H]PK 11195 from PBR in Sprague-Dawley rat cerebral cortex
50019442	11	ChEMBL_442109 (CHEMBL891247)	Inhibition of EMK by radiometric assay
50019442	4	ChEMBL_442103 (CHEMBL891241)	Inhibition of CHK2 by radiometric assay
50019442	5	ChEMBL_442113 (CHEMBL891251)	Inhibition of MARKAP2 kinase by radiometric assay
50019442	2	ChEMBL_442115 (CHEMBL891253)	Inhibition of CDC2 by radiometric assay
50019442	6	ChEMBL_442104 (CHEMBL891242)	Inhibition of Aur1 by radiometric assay
50019442	14	ChEMBL_442110 (CHEMBL891248)	Inhibition of ERK2 by radiometric assay
50046262	1	ChEMBL_1461095 (CHEMBL3395321)	Inhibition of human recombinant PDE4A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by scintillation proximity assay
50019442	13	ChEMBL_442111 (CHEMBL891249)	Inhibition of SGK by radiometric assay
50046262	2	ChEMBL_1461094 (CHEMBL3395320)	Inhibition of human recombinant PDE3B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by scintillation proximity assay
50019442	9	ChEMBL_442107 (CHEMBL891245)	Inhibition of PKCdelta by radiometric assay
50019442	10	ChEMBL_442108 (CHEMBL891246)	Inhibition of PKCgamma by radiometric assay
50046262	3	ChEMBL_1461093 (CHEMBL3395319)	Inhibition of human recombinant PDE3A pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by scintillation proximity assay
50019442	3	ChEMBL_442112 (CHEMBL891250)	Inhibition of SRC by radiometric assay
50046262	4	ChEMBL_1461092 (CHEMBL3395318)	Inhibition of human recombinant PDE10A catalytic domain pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by scintillation proximity assay
50019452	2	ChEMBL_454478 (CHEMBL886504)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane
50019452	1	ChEMBL_454479 (CHEMBL886505)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cell membrane
50019452	4	ChEMBL_454476 (CHEMBL886502)	Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane
50046262	5	ChEMBL_1461091 (CHEMBL3395317)	Binding affinity to PDE10A (unknown origin)
50046262	6	ChEMBL_1461096 (CHEMBL3395322)	Inhibition of human recombinant PDE4B pre-incubated for 5 mins before [3H]cAMP substrate addition and measured 20 mins post substrate addition by scintillation proximity assay
50046267	1	ChEMBL_1461142 (CHEMBL3395467)	Inhibition of human thrombin
50046267	2	ChEMBL_1461141 (CHEMBL3395466)	Inhibition of human coagulation factor 10a
50046267	3	ChEMBL_1461140 (CHEMBL3395465)	Inhibition of human coagulation factor 9a
50046267	4	ChEMBL_1461139 (CHEMBL3395464)	Inhibition of human coagulation factor 7a
50046267	5	ChEMBL_1461137 (CHEMBL3395462)	Inhibition of human coagulation factor 11a after 10 to 120 mins
50019454	2	ChEMBL_454489 (CHEMBL886515)	Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay
50019454	1	ChEMBL_454488 (CHEMBL886514)	Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay
50046267	6	ChEMBL_1461143 (CHEMBL3395468)	Inhibition of human trypsin
50046267	7	ChEMBL_1461144 (CHEMBL3395469)	Inhibition of human plasma kallikrein
50046267	8	ChEMBL_1461145 (CHEMBL3395470)	Inhibition of human activated protein C
50046267	9	ChEMBL_1461146 (CHEMBL3395471)	Inhibition of human plasmin
50046267	10	ChEMBL_1461147 (CHEMBL3395472)	Inhibition of human TPA
50046267	11	ChEMBL_1461148 (CHEMBL3395473)	Inhibition of human urokinase
50019457	7	ChEMBL_447123 (CHEMBL897422)	Inhibition of human VEGFR1
50019457	6	ChEMBL_447122 (CHEMBL897421)	Inhibition of human JNK3
50019457	4	ChEMBL_447120 (CHEMBL897419)	Inhibition of TGFBR1
50019457	3	ChEMBL_447163 (CHEMBL897462)	Inhibition of JNK1
50046268	1	ChEMBL_1463623 (CHEMBL3398941)	Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction of trypanothione disulfide by spectrophotometrically
50019457	5	ChEMBL_447121 (CHEMBL897420)	Inhibition of human JNK2
50019457	1	ChEMBL_447124 (CHEMBL897423)	Inhibition of human VEGFR2
50019458	2	ChEMBL_428115 (CHEMBL914284)	Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain
50019458	1	ChEMBL_428114 (CHEMBL914283)	Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assessed as inhibition of NMDA-evoked elevation of intracellular calcium concentration
50019462	1	ChEMBL_428131 (CHEMBL915768)	Induction of NAD(P)H:quinone reductase in mouse Hepa 1c1c7 cells
50019462	2	ChEMBL_428133 (CHEMBL915770)	Inhibition of human recombinant aromatase
50019471	2	ChEMBL_442225 (CHEMBL892384)	Inhibition of human cdk5/p25 by SPA
50019471	1	ChEMBL_442226 (CHEMBL892385)	Inhibition of human cdk2/cyclin E by SPA
50019473	4	ChEMBL_454550 (CHEMBL886577)	Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay
50019473	3	ChEMBL_454551 (CHEMBL886578)	Agonist activity at PPARalpha receptor expressed in HEK293 cells by GAL4 transactivation assay
50019473	2	ChEMBL_454547 (CHEMBL886574)	Agonist activity at PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay
50019473	1	ChEMBL_454546 (CHEMBL886573)	Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay
50019474	3	ChEMBL_447172 (CHEMBL897470)	Displacement of [125I]PYY from human NPY2 receptor in KAN-TS cells by SPA assay
50019474	1	ChEMBL_447174 (CHEMBL897472)	Displacement of [125I]PYY from human NPY5 receptor in HEK293 cells
50019474	4	ChEMBL_447170 (CHEMBL897468)	Agonist activity at human NPY2 receptor in KAN-TS cells by [35S]GTP-gamma-S binding assay
50019474	2	ChEMBL_447173 (CHEMBL897471)	Displacement of [125I]PYY from human NPY1 receptor in SK-N-MC cells
50019475	1	ChEMBL_438312 (CHEMBL887414)	Agonist activity at human AR
50019475	2	ChEMBL_438313 (CHEMBL887415)	Binding affinity to human AR
50019476	1	ChEMBL_442235 (CHEMBL892394)	Inhibition of human DPP4
50019478	3	ChEMBL_438314 (CHEMBL887422)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells
50019478	2	ChEMBL_438315 (CHEMBL887423)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells
50019478	1	ChEMBL_438331 (CHEMBL887433)	Binding affinity at rat CB1 receptor
50019483	1	ChEMBL_442256 (CHEMBL892415)	Inhibition of human DPP4
50046268	2	ChEMBL_1463624 (CHEMBL3398942)	Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm assay
50046269	1	ChEMBL_1463642 (CHEMBL3398960)	Inhibition of recombinant N-terminal His-tagged AKT1 (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 6 peptide substrate by Z'-LYTE kinase assay
50046269	2	ChEMBL_1463640 (CHEMBL3398958)	Inhibition of Drak2 (unknown origin) by ADP-GLO kinase assay
50019494	2	ChEMBL_428150 (CHEMBL915787)	Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation
50019494	1	ChEMBL_428151 (CHEMBL915788)	Inhibition of recombinant cytosolic TK-1 assessed as [CH3-H3]dThd phosphorylation
50046269	3	ChEMBL_1463639 (CHEMBL3398957)	Inhibition of N-terminal His-tagged recombinant IKK2 (unknown origin) by HTRF assay
50019497	2	ChEMBL_428250 (CHEMBL916199)	Inhibition of human recombinant ACC1 expressed in HEK293 cells
50046269	4	ChEMBL_1463638 (CHEMBL3398956)	Inhibition of BRAF (unknown origin) by HTRF assay
50046269	5	ChEMBL_1463637 (CHEMBL3398955)	Inhibition of N-terminal His-tagged recombinant JAK2 (unknown origin) by HTRF assay
50046269	6	ChEMBL_1463636 (CHEMBL3398954)	Inhibition of N-terminal His-tagged recombinant PKC-epsilon (unknown origin) by HTRF assay
50046269	7	ChEMBL_1463635 (CHEMBL3398953)	Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Escherichia coli strain BL21-Codon Plus (DE3) using Ser/Thr 9 peptide substrate by Z'-LYTE kinase assay
50019500	8	ChEMBL_425872 (CHEMBL856876)	Binding affinity to human EP1 receptor expressed in HEK293 cells
50019500	11	ChEMBL_425874 (CHEMBL856878)	Binding affinity to human EP3 receptor expressed in HEK293 cells
50019500	3	ChEMBL_425876 (CHEMBL907937)	Binding affinity to human FP receptor expressed in HEK293 cells
50019500	4	ChEMBL_425877 (CHEMBL907938)	Binding affinity to human IP receptor expressed in HEK293 cells
50019500	9	ChEMBL_425875 (CHEMBL907936)	Binding affinity to human EP4 receptor expressed in HEK293 cells
50019500	7	ChEMBL_425873 (CHEMBL856877)	Binding affinity to human EP2 receptor expressed in HEK293 cells
50019500	10	ChEMBL_425871 (CHEMBL856875)	Binding affinity to human TP receptor expressed in HEK293 cells
50046270	1	ChEMBL_1463659 (CHEMBL3399046)	Agonist activity at human recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay
50019500	1	ChEMBL_425878 (CHEMBL907939)	Activity at human DP receptor in washed platelets assessed as inhibition of PGD2-induced cAMP accumulation
50046270	2	ChEMBL_1463664 (CHEMBL3399051)	Agonist activity at human IP receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation
50046270	3	ChEMBL_1463663 (CHEMBL3399050)	Agonist activity at human recombinant DP1 receptor expressed in melanophores assessed as induction of pigment redistribution incubated for 90 mins
50019501	2	ChEMBL_425911 (CHEMBL907971)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50019501	4	ChEMBL_425907 (CHEMBL907967)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50019501	3	ChEMBL_425909 (CHEMBL907969)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells
50019501	5	ChEMBL_425919 (CHEMBL907374)	Activity at human adenosine A1 receptor in CHO cells assessed as effect on CPA induced inhibition of forskolin-stimulated cAMP production
50019501	1	ChEMBL_425914 (CHEMBL907369)	Displacement of [3H]MRS1754 from human adenosine A2B receptor
50046270	4	ChEMBL_1462465 (CHEMBL3398868)	Agonist activity at human recombinant DP1 receptor by cAMP assay
50046270	5	ChEMBL_1463661 (CHEMBL3399048)	Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay
50046271	1	ChEMBL_1462473 (CHEMBL3398876)	Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as Ca2+ influx by Fluo-4 dye based assay
50046271	2	ChEMBL_1462471 (CHEMBL3398874)	Antagonist activity against human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx pre-treated 5 mins before capsaicin addition by Fluo-4 dye based assay
50046271	3	ChEMBL_1462470 (CHEMBL3398873)	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as Ca2+ influx by Fluo-4 dye based assay
50046271	4	ChEMBL_1462474 (CHEMBL3398877)	Antagonist activity against rat recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced Ca2+ influx pre-treated 5 mins before capsaicin addition by Fluo-4 dye based assay
50046272	1	ChEMBL_1462476 (CHEMBL3398879)	Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in presence of 1 mM GSH
50046272	2	ChEMBL_1462475 (CHEMBL3398878)	Inhibition of STEP (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate in absence of GSH
50046272	3	ChEMBL_1462478 (CHEMBL3398881)	Inhibition of STEP (unknown origin) in absence of GSH by p-nitrophenyl phosphate hydrolysis assay
50046273	1	ChEMBL_1462492 (CHEMBL3398965)	Inhibition of CYP3D6 in pooled mixed-gender human liver microsomes using dextromethorphan substrate in presence of NADPH pre-incubated for 3 mins by HPLC-UV detection method
50046273	2	ChEMBL_1462491 (CHEMBL3398964)	Inhibition of CYP3A4 in pooled mixed-gender human liver microsomes using triazolam substrate in presence of NADPH pre-incubated for 3 mins by HPLC-UV detection method
50046273	3	ChEMBL_1462490 (CHEMBL3398963)	Inhibition of CYP3A4 in pooled mixed-gender human liver microsomes using testosterone substrate in presence of NADPH pre-incubated for 3 mins by HPLC-UV detection method
50046273	4	ChEMBL_1462522 (CHEMBL3399067)	Inhibition of of UGT3B7 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method
50046273	5	ChEMBL_1462521 (CHEMBL3399066)	Inhibition of of UGT1A9 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method
50046273	6	ChEMBL_1462520 (CHEMBL3399065)	Inhibition of of UGT1A6 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method
50046273	7	ChEMBL_1462518 (CHEMBL3398991)	Inhibition of of UGT1A1 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method
50046274	1	ChEMBL_1462544 (CHEMBL3399089)	Inhibition of human ERG
50046275	1	ChEMBL_1462552 (CHEMBL3399097)	Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method
50046275	2	ChEMBL_1462554 (CHEMBL3399099)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method
50046276	1	ChEMBL_1462564 (CHEMBL3399181)	Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay
50019517	1	ChEMBL_438363 (CHEMBL887465)	Inhibition of GST-tagged human recombinant JSP1
50019518	2	ChEMBL_438365 (CHEMBL887467)	Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization
50019518	1	ChEMBL_438364 (CHEMBL887466)	Displacement of [3H]U-69593 from rat cloned KOR
50019520	1	ChEMBL_438371 (CHEMBL886338)	Displacement of [3H]dofetilide from human ERG by fliter binding assay
50019521	10	ChEMBL_442376 (CHEMBL892538)	Inhibition of FYN
50019521	12	ChEMBL_442369 (CHEMBL892531)	Inhibition of CDK4
50019521	1	ChEMBL_442370 (CHEMBL892532)	Inhibition of PKAP1
50019521	3	ChEMBL_442374 (CHEMBL892536)	Inhibition of ERK
50019521	7	ChEMBL_442368 (CHEMBL892530)	Inhibition of CDK2
50019521	8	ChEMBL_442377 (CHEMBL892539)	Inhibition of EPHB3
50019521	6	ChEMBL_442373 (CHEMBL892535)	Inhibition of PKCd
50019523	1	ChEMBL_435751 (CHEMBL920282)	Displacement of [125I]CYP from human adrenergic beta 1 receptor transfected in CHO cells in presence of 100 uM GTP
50019523	3	ChEMBL_435753 (CHEMBL920284)	Displacement of [125I]CYP from human adrenergic beta 3 receptor transfected in CHO cells in presence of 100 uM GTP
50046277	1	ChEMBL_1485692 (CHEMBL3541084)	Reversible competitive inhibition of human CYP3A5-mediated 1'-OH midazolam formation in human liver microsomes after 7.5 mins by nonlinear regression study
50046277	2	ChEMBL_1485691 (CHEMBL3541083)	Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated with compound before substrate addition by LC-MS method
50046277	3	ChEMBL_1485690 (CHEMBL3541082)	Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation by LC-MS method
50046277	4	ChEMBL_1485685 (CHEMBL3540825)	Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated with compound before substrate addition by LC-MS method
50046277	5	ChEMBL_1485684 (CHEMBL3540824)	Inhibition of human CYP3A5 expressed in supersomes assessed inhibition of 1'-OH midazolam formation by LC-MS method
50046277	6	ChEMBL_1486441 (CHEMBL3531039)	Reversible competitive inhibition of human CYP3A4-mediated 1'-OH midazolam formation in human liver microsomes after 7.5 mins by nonlinear regression study
50046277	7	ChEMBL_1485699 (CHEMBL3541091)	Competitive inhibition of recombinant CYP3A4 (unknown origin) expressed in supersomes
50046277	8	ChEMBL_1485698 (CHEMBL3541090)	Competitive inhibition of CYP3A4 in human liver microsomes
50046277	9	ChEMBL_1486438 (CHEMBL3531036)	Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated for 15 mins before substrate addition by LC-MS method
50046277	10	ChEMBL_1486437 (CHEMBL3531035)	Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation after 7.5 mins by LC-MS method
50046278	1	ChEMBL_1490623 (CHEMBL3536064)	Inhibition of MEK1 (unknown origin)
50046279	1	ChEMBL_1482571 (CHEMBL3537392)	Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 mins
50046279	2	ChEMBL_1482580 (CHEMBL3537401)	Inhibition of rat OAT3 using estrone-3-sulfate as substrate
50046279	3	ChEMBL_1482579 (CHEMBL3537400)	Inhibition of human OAT3 using estrone-3-sulfate as substrate
50046280	1	ChEMBL_1493769 (CHEMBL3530852)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 8 mins by LC-MS/MS analysis
50046280	2	ChEMBL_1493770 (CHEMBL3530853)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis
50046280	3	ChEMBL_1487322 (CHEMBL3535114)	Inhibition of CYP2J2 in human liver microsomes using 7 probe cocktail containing phenacetin, paclitaxel, diclofenac, S-mephenytoin, dextromethorphan, astemizole and midazolam after 8 mins by LC-MS/MS analysis
50046280	4	ChEMBL_1492984 (CHEMBL3529113)	Inhibition of CYP2J2-mediated astemizole O-demethylation in human liver microsomes after 8 mins by LC-MS/MS analysis
50046280	5	ChEMBL_1487309 (CHEMBL3534776)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 8 mins by LC-MS/MS analysis
50046280	6	ChEMBL_1487308 (CHEMBL3534775)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 8 mins by LC-MS/MS analysis
50046280	7	ChEMBL_1487307 (CHEMBL3534774)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 8 mins by LC-MS/MS analysis
50046280	8	ChEMBL_1493771 (CHEMBL3530854)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 8 mins by LC-MS/MS analysis
50046280	9	ChEMBL_1492987 (CHEMBL3529116)	Inhibition of recombinant CYP2J2 (unknown origin)-mediated terfenadine hydroxylation in presence of NADPH
50046280	10	ChEMBL_1492986 (CHEMBL3529115)	Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH
50046280	11	ChEMBL_1487323 (CHEMBL3535115)	Mixed inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH
50046280	12	ChEMBL_1487324 (CHEMBL3535116)	Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation preincubated for 30 mins followed by substrate addition in presence of NADPH
50019537	2	ChEMBL_435783 (CHEMBL904138)	Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-3-beta-2-gamma-2 receptor expressed in HEK293 cells
50019537	4	ChEMBL_435782 (CHEMBL904137)	Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells
50019539	1	ChEMBL_454634 (CHEMBL886654)	Binding affinity to rat SERT
50019539	3	ChEMBL_454636 (CHEMBL886656)	Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50019539	2	ChEMBL_454635 (CHEMBL886655)	Binding affinity to human SERT
50019541	1	ChEMBL_438435 (CHEMBL887536)	Agonist activity at human kappa opioid receptor by [35S]GTP-gamma-S binding assay
50019541	2	ChEMBL_438438 (CHEMBL887539)	Inhibition of CYP2D6
50046282	5	ChEMBL_1485701 (CHEMBL3541093)	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method
50046259	3	ChEMBL_1433291 (CHEMBL3389398)	Displacement of [3H]]nociceptin from human ORL1 receptor high affinity binding site expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046259	4	ChEMBL_1433283 (CHEMBL3389390)	Displacement of [3H]isoVa-RYYRIK-NH2 from human ORL1 receptor expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046259	8	ChEMBL_1433287 (CHEMBL3389394)	Displacement of [3H]]isoVa-RYYRIK-NH2 from human ORL1 receptor low affinity binding site expressed in African green monkey COS7 cells after 90 mins by topcount analysis
50046283	1	ChEMBL_1433315 (CHEMBL3389960)	Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay
50046283	2	ChEMBL_1434148 (CHEMBL3383385)	Inhibition of human topoisomerase 2alpha
50046284	1	ChEMBL_1434846 (CHEMBL3384643)	Inhibition of EGFR (unknown origin)
50046284	2	ChEMBL_1434150 (CHEMBL3383387)	Inhibition of NaV1.5 (unknown origin)
50046284	3	ChEMBL_1434847 (CHEMBL3384644)	Inhibition of CaV1.2 (unknown origin)
50046284	4	ChEMBL_1434849 (CHEMBL3384646)	Inhibition of IKs channel (unknown origin)
50046284	5	ChEMBL_1434157 (CHEMBL3383394)	Inhibition of human ERG by patch clamp based electrophysiology method
50019562	2	ChEMBL_428416 (CHEMBL919486)	Agonist activity at CCR5 expressed in CHO-K1 cells in aqeuorin based assay
50019562	1	ChEMBL_428417 (CHEMBL919487)	Displacement of [125I]MIP1beta from CCR5 expressed in CHO-K1 cells
50025150	1	ChEMBL_508499 (CHEMBL1003193)	Activity at human GABAA alpha-1-beta-2-gamma-2s receptor expressed in HEK293 cells assessed as effect on GABA-induced current at 3 uM by whole cell patch-clamp technique
50019565	5	ChEMBL_442409 (CHEMBL892571)	Displacement of [125I]NDPalphaMSH from human MC1R expressed in HEK293 cells
50046284	6	ChEMBL_1434164 (CHEMBL3383972)	Inhibition of CYP1A2 (unknown origin) by high throughput fluorescence assay
50046284	7	ChEMBL_1434165 (CHEMBL3383973)	Inhibition of CYP2C9 (unknown origin) by high throughput fluorescence assay
50046284	8	ChEMBL_1434166 (CHEMBL3383974)	Inhibition of CYP2C19 (unknown origin) by high throughput fluorescence assay
50046284	9	ChEMBL_1434167 (CHEMBL3383975)	Inhibition of CYP2D6 (unknown origin) by high throughput fluorescence assay
50046284	10	ChEMBL_1434168 (CHEMBL3383976)	Inhibition of CYP3A4 (unknown origin) by high throughput fluorescence assay
50019565	6	ChEMBL_442416 (CHEMBL892578)	Effect on human MC4R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50019565	1	ChEMBL_442419 (CHEMBL892581)	Effect on human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50046284	11	ChEMBL_1434153 (CHEMBL3383390)	Agonist activity at mouse GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay
50019566	1	ChEMBL_447183 (CHEMBL897483)	Displacement of [125I]MIP1alpha from human CCR5 receptor expressed in HEK293 cells co-expressing CD4
50046284	12	ChEMBL_1434151 (CHEMBL3383388)	Agonist activity at human GPR119 expressed in HEK293S cells assessed as cAMP accumulation incubated for 45 mins by HTRF assay
50046285	1	ChEMBL_1435600 (CHEMBL3386523)	Inhibition of PFKFB3 (unknown origin)
50046285	2	ChEMBL_1435599 (CHEMBL3386522)	Inhibition of hexokinase 2 (unknown origin)
50046285	3	ChEMBL_1435602 (CHEMBL3386525)	Inhibition of ENO1 (unknown origin)
50046285	4	ChEMBL_1435605 (CHEMBL3386528)	Inhibition of LDHA (unknown origin)
50046285	5	ChEMBL_1435607 (CHEMBL3386530)	Inhibition of LDHB (unknown origin)
50046285	6	ChEMBL_1435609 (CHEMBL3386532)	Inhibition of LDHA (unknown origin) by NADH competition assay
50046285	7	ChEMBL_1435610 (CHEMBL3386533)	Inhibition of LDHA (unknown origin) by pyruvate competition assay
50046285	8	ChEMBL_1435611 (CHEMBL3386534)	Binding affinity to MCT1 (unknown origin)
50046285	9	ChEMBL_1435601 (CHEMBL3386524)	Inhibition of PGM1 (unknown origin) by enzymatic assay
50046286	1	ChEMBL_1435612 (CHEMBL3386535)	Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay
50046286	2	ChEMBL_1435613 (CHEMBL3387119)	Inhibition of human Nav1.5 expressed in HEK293 cells after 60 mins by FLIPR assay
50046286	3	ChEMBL_1435615 (CHEMBL3387121)	Inhibition of human Nav1.7 expressed in HEK293 cells by voltage clamp assay
50046286	4	ChEMBL_1435616 (CHEMBL3387122)	Inhibition of human Nav1.5 expressed in HEK293 cells by voltage clamp assay
50046282	3	ChEMBL_1485703 (CHEMBL3541095)	Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method
50046282	2	ChEMBL_1485704 (CHEMBL3541096)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method
50046282	4	ChEMBL_1485702 (CHEMBL3541094)	Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method
50046282	9	ChEMBL_1485706 (CHEMBL3541098)	Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method
50046282	10	ChEMBL_1485705 (CHEMBL3541097)	Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method
50019571	1	ChEMBL_428436 (CHEMBL919505)	Inhibition of aromatase in SK-BR-3 cells by tritiated water release assay
50046282	11	ChEMBL_1485700 (CHEMBL3541092)	Non-competitive inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method and Dixon plot
50019574	5	ChEMBL_428452 (CHEMBL918953)	Displacement of [3H]DAMGO from rat brain mu opioid receptor
50019574	1	ChEMBL_428454 (CHEMBL918955)	Displacement of [3H]U-69593 from guinea pig brain kappa opioid receptor
50019574	3	ChEMBL_428456 (CHEMBL918957)	Agonist activity at delta opioid receptor in mouse vas deferens
50019574	2	ChEMBL_428453 (CHEMBL918954)	Displacement of [3H]DSLET from rat brain delta opioid receptor
50019574	4	ChEMBL_428455 (CHEMBL918956)	Agonist activity at mu opioid receptor in guinea pig ileum
50019588	4	ChEMBL_428467 (CHEMBL918968)	Activity at human 5HT2A expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay
50019588	6	ChEMBL_428465 (CHEMBL918966)	Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells
50019588	3	ChEMBL_428468 (CHEMBL918969)	Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay
50019588	1	ChEMBL_428469 (CHEMBL918970)	Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay
50019588	7	ChEMBL_428464 (CHEMBL918965)	Displacement of [125I]DOI from human recombinant 5HT2A expressed in HEK293E cells
50019588	5	ChEMBL_428466 (CHEMBL918967)	Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cells
50019588	2	ChEMBL_428486 (CHEMBL920388)	Inhibition of cytochrome P450 3A4
50019589	1	ChEMBL_428500 (CHEMBL920402)	Inhibition of cytokine-induced iNOS expressed in human A172 cells assessed as inhibition of NO formation
50019594	1	ChEMBL_442464 (CHEMBL892629)	Displacement of [3H]OT from human OT receptor expressed in HEK cells
50019595	2	ChEMBL_442467 (CHEMBL892632)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells
50019595	3	ChEMBL_442466 (CHEMBL892631)	Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells
50019595	1	ChEMBL_442468 (CHEMBL892633)	Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells
50019596	1	ChEMBL_442471 (CHEMBL892636)	Inhibition of xanthine oxidase
50019602	1	ChEMBL_454659 (CHEMBL886679)	Inhibition of DPP4 in rat plasma by fluorescence assay
50019602	2	ChEMBL_454658 (CHEMBL886678)	Inhibition of DPP4 in human plasma by fluorescence assay
50046282	6	ChEMBL_1486449 (CHEMBL3531439)	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in presence of 1 mM NADPH
50046282	12	ChEMBL_1486448 (CHEMBL3531438)	Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation reduction in astemizole O-demethylation after 30 mins by LC-MS/MS method in absence of 1 mM NADPH
50046282	7	ChEMBL_1492092 (CHEMBL3529761)	Non-competitive inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method
50019608	1	ChEMBL_454674 (CHEMBL886694)	Inhibition of human recombinant IGF1 receptor
50019609	1	ChEMBL_454676 (CHEMBL886696)	Inhibition of PLD2
50019610	2	ChEMBL_454683 (CHEMBL886703)	Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells
50019610	1	ChEMBL_454685 (CHEMBL886705)	Displacement of [3H]spiperone from dopamine D2 receptor
50019610	3	ChEMBL_454684 (CHEMBL886704)	Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor
50019611	2	ChEMBL_442527 (CHEMBL892692)	Inhibition of AChE
50019611	1	ChEMBL_442528 (CHEMBL892693)	Inhibition of BuChE in horse serum
50019612	1	ChEMBL_454691 (CHEMBL886711)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50019612	2	ChEMBL_454692 (CHEMBL886712)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane at pH 8.0 at 25 degC
50019616	3	ChEMBL_454704 (CHEMBL886726)	Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation
50019616	1	ChEMBL_454703 (CHEMBL886725)	Displacement of N-[3H]-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50019616	2	ChEMBL_454705 (CHEMBL886727)	Displacement of [3H]citalopram from rat brain SERT
50019621	1	ChEMBL_442539 (CHEMBL892704)	Inhibition of VEGFR2
50019621	2	ChEMBL_442540 (CHEMBL892705)	Inhibition of CDK1
50019628	1	ChEMBL_428518 (CHEMBL919875)	Agonist activity at human CGRP1 expressed in HEK293 cells assessed as cAMP accumulation
50019639	2	ChEMBL_442634 (CHEMBL892802)	Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatal membrane
50019639	3	ChEMBL_442632 (CHEMBL892800)	Displacement of [3H]8-OH-DPAT from serotonin 5HT1A receptor in rat brain hippocampus
50019639	1	ChEMBL_442633 (CHEMBL892801)	Displacement of [3H]ketanserin from serotonin 5HT2A receptor in rat brain cortex
50046282	8	ChEMBL_1486450 (CHEMBL3531440)	Mixed type inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method
50019651	2	ChEMBL_428526 (CHEMBL919883)	Inhibition of p38-alpha MAPK by non-radioactive immunosorbent assay
50019651	1	ChEMBL_428524 (CHEMBL919881)	Inhibition of JNK3 by non-radioactive immunosorbent assay
50046288	1	ChEMBL_1484273 (CHEMBL3538489)	Inhibition of his-strep-tagged HDAC8 (unknown origin) expressed in SF9 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50046288	2	ChEMBL_1484272 (CHEMBL3538488)	Inhibition of HDAC6 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50046288	3	ChEMBL_1484271 (CHEMBL3538487)	Inhibition of HDAC4 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50046288	4	ChEMBL_1484270 (CHEMBL3538486)	Inhibition of HDAC3 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50046288	5	ChEMBL_1484269 (CHEMBL3538485)	Inhibition of flag-tagged HDAC2 (unknown origin) expressed in SF21 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50046288	6	ChEMBL_1484268 (CHEMBL3538484)	Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells using [3H]acetylated human histone H4 peptide as substrate by scintillation counting
50045915	10	ChEMBL_1487563 (CHEMBL3531530)	Activation of PXR in human cryopreserved hepatocytes assessed as induction of CYP3A4
50046287	2	ChEMBL_1436276 (CHEMBL3387776)	Inhibition of IFNgamma-induced STAT1 phosphorylation in human Cal33 cells by Western blot analysis
50046287	1	ChEMBL_1436271 (CHEMBL3387771)	Inhibition of IL-6-induced STAT3 phosphorylation in human Cal33 cells assessed as nuclear translocation by Western blot analysis
50019672	1	ChEMBL_428661 (CHEMBL915808)	Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase
50019674	13	ChEMBL_428724 (CHEMBL915240)	Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor
50019674	5	ChEMBL_428732 (CHEMBL915248)	Displacement of [3H]spiperone from rat striatum dopamine D2 receptor
50019674	9	ChEMBL_428734 (CHEMBL915250)	Displacement of [3H]ketanserin from rat cortex 5HT2A receptor
50019674	14	ChEMBL_428737 (CHEMBL915253)	Displacement of [3H]GR-13808 from guinea pig cortex 5HT4 receptor
50019674	8	ChEMBL_428746 (CHEMBL916722)	Displacement of [3H]citalopram from rat cortex SERT
50019674	4	ChEMBL_428731 (CHEMBL915247)	Displacement of [3H]SCH-23390 from rat striatum dopamine D1 receptor
50019674	10	ChEMBL_428735 (CHEMBL915251)	Displacement of [3H]mesulergine from guinea pig cortex 5HT2C receptor
50019674	15	ChEMBL_428736 (CHEMBL915252)	Displacement of [3H]LY278584 from rat cortex 5HT3 receptor
50019674	6	ChEMBL_428745 (CHEMBL916721)	Displacement of [3H]WIN-35428 from rat striatum DAT
50019674	7	ChEMBL_428733 (CHEMBL915249)	Displacement of [3H]7OH-DPAT from rat olfactory tubercle dopamine D3 receptor
50019674	12	ChEMBL_428738 (CHEMBL915254)	Displacement of [3H]5HT from rat cloned 5HT6 receptor expressed in HEK293 cells
50019674	2	ChEMBL_428742 (CHEMBL916719)	Displacement of [3H]pyrilamine from rat cortex histamine H1 receptor
50019675	1	ChEMBL_428792 (CHEMBL916225)	Binding affinity to rat AR
50019681	1	ChEMBL_438450 (CHEMBL887550)	Antagonist activity at mu opioid receptor as inhibition of electrically stimulated guinea pig ileum contraction
50019681	3	ChEMBL_438449 (CHEMBL887549)	Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells
50046289	1	ChEMBL_1436285 (CHEMBL3387785)	Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor
50019682	3	ChEMBL_442721 (CHEMBL892889)	Binding affinity to human MCHR1
50019682	2	ChEMBL_442722 (CHEMBL892890)	Antagonist activity at human MCHR1 by [35S]GTP-gamma-S binding assay
50019682	1	ChEMBL_442723 (CHEMBL892891)	Inhibition of CYP2D6
50046289	2	ChEMBL_1436282 (CHEMBL3387782)	Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells
50046289	3	ChEMBL_1436283 (CHEMBL3387783)	Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor
50046289	4	ChEMBL_1436284 (CHEMBL3387784)	Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells
50046289	5	ChEMBL_1436286 (CHEMBL3387786)	Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells
50046289	6	ChEMBL_1436287 (CHEMBL3387787)	Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor
50046289	7	ChEMBL_1436288 (CHEMBL3388369)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in COS1 cells
50019693	1	ChEMBL_454785 (CHEMBL886813)	Inhibition of CETP in human plasma
50019700	5	ChEMBL_428855 (CHEMBL917131)	Inhibition of human group V PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay
50019700	1	ChEMBL_428850 (CHEMBL917126)	Inhibition of pig group IB PLA2 by fluorimetric assay
50019700	2	ChEMBL_428851 (CHEMBL917127)	Inhibition of human group IIA PLA2 by fluorimetric assay
50019700	4	ChEMBL_428854 (CHEMBL917130)	Inhibition of human group IIA PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay
50019700	6	ChEMBL_428856 (CHEMBL917132)	Inhibition of human group X PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay
50019700	3	ChEMBL_428853 (CHEMBL917129)	Inhibition of human group IB PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay
50019701	1	ChEMBL_428860 (CHEMBL917136)	Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs
50046289	8	ChEMBL_1436289 (CHEMBL3388370)	Binding affinity to human 5HT1A receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor
50019702	1	ChEMBL_428867 (CHEMBL917143)	Displacement of [3H]flumazenil from rat GABAA alpha-1-beta-2-gamma-2 expressed in HEK293 cells
50019702	2	ChEMBL_428870 (CHEMBL917146)	Displacement of [3H]flumazenil from rat GABAA alpha-5-beta-3-gamma-2 expressed in HEK293 cells
50019702	3	ChEMBL_428868 (CHEMBL917144)	Displacement of [3H]flumazenil from rat GABAA alpha-2-beta-2-gamma-2 expressed in HEK293 cells
50019707	1	ChEMBL_454790 (CHEMBL886818)	Inhibition of thrombin by fluorogenic assay
50019709	1	ChEMBL_454791 (CHEMBL886819)	Inhibition of PTP1B assessed as pNPP hydrolysis
50019710	1	ChEMBL_438476 (CHEMBL887576)	Inhibition of 5-LOX in rat peritoneal leukocytes
50019719	2	ChEMBL_454797 (CHEMBL886825)	Antagonist activity at mGluR5 expressed in CHO cells assessed as phosphoinositide hydrolysis
50019719	1	ChEMBL_454796 (CHEMBL886824)	Displacement of [3H]MPEP from mGluR5 in rat brain membrane
50019721	1	ChEMBL_438482 (CHEMBL887582)	Inhibition of iNOS in human A172 cells after 18 to 24 hrs
50019744	3	ChEMBL_443020 (CHEMBL892150)	Displacement of [3H]DAMGO 2 from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50019744	1	ChEMBL_443019 (CHEMBL892151)	Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50019744	2	ChEMBL_443023 (CHEMBL892154)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated contraction
50019751	2	ChEMBL_461151 (CHEMBL944174)	Inhibition of COX2
50019751	1	ChEMBL_461146 (CHEMBL944169)	Inhibition of mouse wild type COX2
50019755	3	ChEMBL_428982 (CHEMBL919529)	Activity at human liver PPAR alpha expressed in HEK293 cells by PPAR-GAL4 transactivation assay
50019755	4	ChEMBL_428986 (CHEMBL919533)	Activity at human placenta PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay
50019755	1	ChEMBL_428984 (CHEMBL919531)	Activity at human adipose tissue PPAR gamma expressed in HEK293 cells by PPAR-GAL4 transactivation assay
50019755	2	ChEMBL_429020 (CHEMBL918997)	Agonist activity at mouse PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay
50046290	2	ChEMBL_1486769 (CHEMBL3534721)	Binding affinity to Wistar rat serum albumin
50019756	15	ChEMBL_429057 (CHEMBL920440)	Inhibition of FLT3 by HTRF assay
50019756	8	ChEMBL_429058 (CHEMBL920441)	Inhibition of c-Kit by HTRF assay
50019756	2	ChEMBL_429074 (CHEMBL919918)	Inhibition of FGR
50019756	13	ChEMBL_429059 (CHEMBL920442)	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA
50019756	11	ChEMBL_429076 (CHEMBL919920)	Inhibition of CDC2 using 5 to 10 ATP umol/L
50019756	4	ChEMBL_429064 (CHEMBL919908)	Inhibition of FLT1 by HTRF assay
50019756	9	ChEMBL_429068 (CHEMBL919912)	Inhibition of TIE2
50019756	12	ChEMBL_429067 (CHEMBL919911)	Inhibition of CSF1R by HTRF assay
50019756	1	ChEMBL_429075 (CHEMBL919919)	Inhibition of AKT using 5 to 10 ATP umol/L
50019756	17	ChEMBL_429071 (CHEMBL919915)	Inhibition of SRC
50019756	6	ChEMBL_429066 (CHEMBL919910)	Inhibition of PDGFRbeta
50019756	14	ChEMBL_429069 (CHEMBL919913)	Inhibition of RET
50046291	1	ChEMBL_1505030 (CHEMBL3595885)	Inhibition of mTOR (unknown origin) assessed as p70S6K phosphorylation after 30 mins by ELISA
50019756	3	ChEMBL_429073 (CHEMBL919917)	Inhibition of LCK
50046292	1	ChEMBL_1505178 (CHEMBL3594720)	Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50019767	1	ChEMBL_429131 (CHEMBL904248)	Inhibition of baker's yeast alpha-glucosidase
50019772	1	ChEMBL_454853 (CHEMBL886882)	Inhibition of human HDAC8 by [3H]acetyl histone peptide assay
50019772	2	ChEMBL_454854 (CHEMBL886883)	Inhibition of human HDAC1 by [3H]acetyl histone peptide assay
50019772	3	ChEMBL_454855 (CHEMBL886884)	Inhibition of human HDAC6 by [3H]acetyl histone peptide assay
50019775	1	ChEMBL_443066 (CHEMBL892197)	Inhibition of NHE1 in rat platelets by Platelet swelling assay
50019778	1	ChEMBL_429132 (CHEMBL904249)	Inhibition of GST-p300 HAT assessed as histone acetylation
50046292	2	ChEMBL_1505179 (CHEMBL3594721)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50046292	3	ChEMBL_1505175 (CHEMBL3594717)	Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50046292	4	ChEMBL_1505176 (CHEMBL3594718)	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50046292	5	ChEMBL_1505177 (CHEMBL3594719)	Inhibition of FLT-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50046292	6	ChEMBL_1505168 (CHEMBL3594710)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50019786	3	ChEMBL_454875 (CHEMBL886903)	Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane
50019786	1	ChEMBL_454873 (CHEMBL886902)	Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells
50019786	2	ChEMBL_454874 (CHEMBL886904)	Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells
50019790	3	ChEMBL_443082 (CHEMBL892213)	Inhibition of [3H]5-HT uptake at 5HT transporter in Wistar rat synaptosomes
50019790	1	ChEMBL_443083 (CHEMBL892214)	Inhibition of [3H]5-HT uptake at NE transporter in Wistar rat synaptosomes
50019790	2	ChEMBL_443084 (CHEMBL892215)	Inhibition of [3H]5-HT uptake at DA transporter in Wistar rat synaptosomes
50019792	1	ChEMBL_454895 (CHEMBL886924)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells after 2 hrs by scintillation proximity assay
50019792	2	ChEMBL_454897 (CHEMBL886926)	Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 4 hrs by scintillation proximity assay
50046293	1	ChEMBL_1505257 (CHEMBL3594882)	Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay
50046293	2	ChEMBL_1505258 (CHEMBL3594883)	Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1.5 hrs by fluorescence assay
50019799	5	ChEMBL_455039 (CHEMBL887068)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor
50019799	3	ChEMBL_455041 (CHEMBL887070)	Displacement of [3H]diprenorphine from human cloned kappa opioid receptor
50046293	3	ChEMBL_1505263 (CHEMBL3594888)	Binding affinity to recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting
50046293	4	ChEMBL_1505264 (CHEMBL3594889)	Binding affinity amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting
50046293	5	ChEMBL_1505265 (CHEMBL3594890)	Binding affinity human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1 hr by scintillation counting
50019799	1	ChEMBL_455045 (CHEMBL887074)	Agonist activity at delta opioid receptor in mouse vas deferens
50046293	6	ChEMBL_1505256 (CHEMBL3594881)	Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay
50019801	15	ChEMBL_455048 (CHEMBL887077)	Inhibition of KDR after 90 mins by HTRF assay
50019801	2	ChEMBL_455047 (CHEMBL887076)	Inhibition of Tie2 after 90 mins by HTRF assay
50019801	6	ChEMBL_455053 (CHEMBL887082)	Inhibition of KDR autophosphorylation in EA.hy926 cells after 2.5 hrs
50019801	16	ChEMBL_455049 (CHEMBL887078)	Inhibition of Tie2 autophosphorylation in EA.hy926 cells after 2.5 hrs
50019801	4	ChEMBL_455055 (CHEMBL887084)	Inhibition of Lck by radioactive filtration assay
50019801	8	ChEMBL_455061 (CHEMBL887090)	Inhibition of EGFR by radioactive filtration assay
50019801	1	ChEMBL_455057 (CHEMBL887086)	Inhibition of Src by radioactive filtration assay
50019801	10	ChEMBL_455063 (CHEMBL887092)	Inhibition of Zap70 by radioactive filtration assay
50019801	7	ChEMBL_455060 (CHEMBL887089)	Inhibition of cMet by radioactive filtration assay
50019801	11	ChEMBL_455064 (CHEMBL887093)	Inhibition of BTK by radioactive filtration assay
50019801	13	ChEMBL_455074 (CHEMBL887103)	Inhibition of p38-alpha in THP1 cells assessed as TNFalpha levels
50019801	3	ChEMBL_455056 (CHEMBL887085)	Inhibition of Jak2 by radioactive filtration assay
50019801	5	ChEMBL_455054 (CHEMBL887083)	Inhibition of p38-alpha by radioactive filtration assay
50019801	12	ChEMBL_455065 (CHEMBL887094)	Inhibition of JNK3 by radioactive filtration assay
50019801	14	ChEMBL_455059 (CHEMBL887088)	Inhibition of cKit by radioactive filtration assay
50019801	9	ChEMBL_455062 (CHEMBL887091)	Inhibition of IGFR1 by radioactive filtration assay
50019803	2	ChEMBL_438518 (CHEMBL886492)	Displacement of [125I-Tyr13] from human MCH-R1 expressed in HEK 293 cells
50019803	1	ChEMBL_438520 (CHEMBL886493)	Inhibition of CYP3A4
50019803	3	ChEMBL_438519 (CHEMBL886491)	Antagonist activity at human MCHR1 expressed in CHO cells by MCH-stimulated [35S]GTP-gammaS binding assay
50019804	1	ChEMBL_455075 (CHEMBL887104)	Inhibition of Kv1.5 channel mediated delayed rectifier potassium current by patch-clamp technique
50046294	1	ChEMBL_1505277 (CHEMBL3594967)	Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay
50046294	2	ChEMBL_1505289 (CHEMBL3594979)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50046294	3	ChEMBL_1505288 (CHEMBL3594978)	Inhibition of CYP3A4 (unknown origin)
50046294	4	ChEMBL_1505287 (CHEMBL3594977)	Inhibition of CYP2D6 (unknown origin)
50046294	5	ChEMBL_1505286 (CHEMBL3594976)	Inhibition of CYP2C19 (unknown origin)
50046294	6	ChEMBL_1505285 (CHEMBL3594975)	Inhibition of CYP2C9 (unknown origin)
50046294	7	ChEMBL_1505278 (CHEMBL3594968)	Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF assay
50046295	1	ChEMBL_1505392 (CHEMBL3595275)	Inhibition of human TNKS2 (956 to 1161 and 873 to 1161) using 500 nM NAD substrate after 20 mins incubation by fluorescence assay
50046295	2	ChEMBL_1505400 (CHEMBL3595283)	Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation
50046295	3	ChEMBL_1505401 (CHEMBL3595284)	Inhibition of human ARTD4 (250 to 565) using 500 nM NAD substrate after 2.5 hrs incubation
50046295	4	ChEMBL_1505402 (CHEMBL3595285)	Inhibition of human ARTD7 (460 to 656) using 250 nM NAD substrate after 2 hrs incubation
50019809	6	ChEMBL_429169 (CHEMBL914425)	Displacement of [3H]N-methyl-scopolamine from human muscarinic M2 receptor expressed in CHO K1 cells
50019809	5	ChEMBL_429171 (CHEMBL914427)	Displacement of [3H]N-methyl-scopolamine from human muscarinic M3 receptor expressed in CHO K1 cells
50019809	1	ChEMBL_429177 (CHEMBL913812)	Inhibition of human CYP2C19 expressed in insect cells
50019809	3	ChEMBL_429175 (CHEMBL914431)	Inhibition of human CYP1A2 expressed in insect cells
50019809	2	ChEMBL_429178 (CHEMBL913813)	Inhibition of human CYP2D6 expressed in insect cells
50019809	7	ChEMBL_429179 (CHEMBL913814)	Inhibition of human CYP3A4 expressed in insect cells
50019809	4	ChEMBL_429176 (CHEMBL913811)	Inhibition of human CYP2C9 expressed in insect cells
50019810	3	ChEMBL_429186 (CHEMBL913820)	Displacement of [3H]N-methyl-scopolamine from human muscarinic M2 receptor expressed in CHOK1 cells
50019810	4	ChEMBL_429188 (CHEMBL913822)	Displacement of [3H]N-methyl-scopolamine from human muscarinic M3 receptor expressed in CHOK1 cells
50019810	1	ChEMBL_429191 (CHEMBL913825)	Activity at muscarinic M2 receptor in Albino Dunkin-Hartley guinea pig left atria assessed as inhibition of methacholine-induced bradycardia
50019810	2	ChEMBL_429190 (CHEMBL913824)	Activity at muscarinic M3 receptor in Albino Dunkin-Hartley guinea pig trachea assessed as inhibition of carbachol-induced contraction
50046295	5	ChEMBL_1505403 (CHEMBL3595286)	Inhibition of human ARTD10 (809 to 1017) using 500 nM NAD substrate after 2.5 hrs incubation
50046295	6	ChEMBL_1505404 (CHEMBL3595287)	Inhibition of human ARTD7 (460 to 656) using 250 nM NAD substrate at 10 uM after 2 hrs incubation
50046295	7	ChEMBL_1505405 (CHEMBL3595288)	Inhibition of human ARTD10 (809 to 1017) using 500 nM NAD substrate at 10 uM after 2.5 hrs incubation
50046295	8	ChEMBL_1505399 (CHEMBL3595282)	Inhibition of full-length human ARTD2 using 500 nM NAD substrate after 3 hrs incubation
50046295	9	ChEMBL_1505398 (CHEMBL3595281)	Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation
50046295	10	ChEMBL_1505397 (CHEMBL3595280)	Inhibition of human TNKS1 (1030 to 1317) using NAD substrate after 20 mins incubation by fluorescence assay
50019827	2	ChEMBL_429281 (CHEMBL915842)	Activity at GPR109a in CHO cells assessed as inhibition of forskolin-induced cAMP generation
50025153	3	ChEMBL_508798 (CHEMBL997066)	Inhibition of c-Kit
50025153	2	ChEMBL_508799 (CHEMBL997067)	Inhibition of EPHA2
50025153	1	ChEMBL_508801 (CHEMBL997069)	Inhibition of Src kinase
50019839	1	ChEMBL_429291 (CHEMBL915852)	Inhibition of human skin chymase
50019839	2	ChEMBL_429293 (CHEMBL915854)	Inhibition of human neutrophil Cat G
50046296	1	ChEMBL_1505408 (CHEMBL3595291)	Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins
50019851	1	ChEMBL_455108 (CHEMBL887138)	Inhibition of CYP3A4
50019853	2	ChEMBL_438528 (CHEMBL887627)	Binding affinity to MMP2
50019853	7	ChEMBL_438532 (CHEMBL887631)	Binding affinity to MMP13
50019853	8	ChEMBL_438530 (CHEMBL887629)	Binding affinity to MMP7
50019853	4	ChEMBL_438533 (CHEMBL887632)	Binding affinity to MMP1
50019853	1	ChEMBL_438529 (CHEMBL887628)	Binding affinity to MMP3
50019853	6	ChEMBL_438531 (CHEMBL887630)	Binding affinity to MMP12
50019853	3	ChEMBL_438527 (CHEMBL887626)	Inhibition of pTACE
50046297	1	ChEMBL_1505547 (CHEMBL3595698)	Inhibition of porcine spleen ADAM17
50046297	2	ChEMBL_1505548 (CHEMBL3595699)	Inhibition of human ADAM10
50046297	3	ChEMBL_1505549 (CHEMBL3595700)	Inhibition of human MT1-MMP
50046297	4	ChEMBL_1505522 (CHEMBL3595607)	Inhibition of MMP14 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50046297	5	ChEMBL_1505521 (CHEMBL3595606)	Inhibition of MMP9 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50046297	6	ChEMBL_1505520 (CHEMBL3595605)	Inhibition of MMP8 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50019857	2	ChEMBL_443221 (CHEMBL893469)	Inhibition of human HER2
50019857	1	ChEMBL_443222 (CHEMBL893470)	Inhibition of human EGFR
50019861	2	ChEMBL_443246 (CHEMBL893496)	Displacement of [125I](BH)CCK8 from rat CCK1 after 30 mins by receptor binding assay
50019861	1	ChEMBL_443247 (CHEMBL893497)	Displacement of [125I](BH)CCK8 from Guinea pig CCK1 after 30 mins by receptor binding assay
50019863	1	ChEMBL_443295 (CHEMBL893545)	Inhibition of tetracycline-induced iNOS expressed in SF9 cells
50019866	2	ChEMBL_429365 (CHEMBL916757)	Inhibition of ATM kinase
50046297	7	ChEMBL_1505519 (CHEMBL3595604)	Inhibition of MMP2 (unknown origin) using Mca-KLPGL-Dnp-AR as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50046297	8	ChEMBL_1505518 (CHEMBL3595603)	Inhibition of ADAM17 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay
50046297	9	ChEMBL_1505517 (CHEMBL3595602)	Inhibition of ADAM10 (unknown origin) preincubated for 30 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay
50046297	10	ChEMBL_1505533 (CHEMBL3595618)	Inhibition of ADAM17 in human THP1 cells assessed as inhibition of LPS-stimulated TNFalpha cleavage after 1 hr by AlphaScreen assay
50046297	11	ChEMBL_1505545 (CHEMBL3595696)	Inhibition of ADAM17 in human A549 cells assessed as potentiation of gefitinib-mediated inhibition of cell viability by measuring gefitinib IC50 at 40 uM incubated for 1 hr followed by gefitinib addition measured after 72 hrs by CellTiter-Glo assay (Rvb = 8.4 microM)
50046297	12	ChEMBL_1505615 (CHEMBL3595911)	Inhibition of ADAM17 in human A549 cells assessed as potentiation of gefitinib-mediated inhibition of cell viability by measuring gefitinib IC50 at 10 uM after 96 hrs by CellTiter-Glo assay (Rvb = 8 microM)
50046298	1	ChEMBL_1505946 (CHEMBL3595548)	Displacement of [3H]-1alpha25-(OH)2D3 from full length recombinant rat vitamin D receptor by scintillation counting analysis
50046299	1	ChEMBL_1506060 (CHEMBL3595864)	Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition
50046147	2	ChEMBL_1506136 (CHEMBL3596066)	Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay
50019867	1	ChEMBL_429368 (CHEMBL916758)	Binding affinity to Grb2-SH2 domain by surface plasmon resonance
50025156	3	ChEMBL_509095 (CHEMBL1007239)	Inverse agonist activity at human ghrelin receptor expressed in african green monkey COS7 cells assessed as constitutively stimulated inositol phosphate accumulation
50025156	4	ChEMBL_509093 (CHEMBL1007237)	Displacement of [35S]MK677 from human ghrelin receptor expressed in african green monkey COS7 cells
50025156	2	ChEMBL_509091 (CHEMBL1007235)	Inverse agonist activity at human wild type ghrelin receptor expressed in african green monkey COS7 cells assessed as inhibition of constitutively stimulated inositol phosphate accumulation
50025156	1	ChEMBL_509373 (CHEMBL1001327)	Agonist activity at human wild type ghrelin receptor expressed in african green monkey COS7 cells assessed as stimulation of constitutively stimulated inositol phosphate accumulation
50025157	2	ChEMBL_505105 (CHEMBL946636)	Inhibition of beta-adrenergic receptor kinase
50025157	1	ChEMBL_505103 (CHEMBL946634)	Inhibition of rhodopsin kinase
50019890	1	ChEMBL_443311 (CHEMBL892512)	Inhibition of human SGLT1 expressed in COS1 cells assessed as [14C]methyl-alpha-D-glucopyranoside uptake
50019890	2	ChEMBL_443312 (CHEMBL892513)	Inhibition of human SGLT2 expressed in COS1 cells assessed as [14C]methyl-alpha-D-glucopyranoside uptake
50019893	1	ChEMBL_429455 (CHEMBL917154)	Displacement of [125I-His9]ghrelin from human GHS1a receptor expressed in LLC PK1 cells
50019893	2	ChEMBL_429458 (CHEMBL917156)	Agonist activity at human GHS1a receptor expressed in CHO cells assessed as induction of intracellular calcium mobilization
50046300	1	ChEMBL_1506145 (CHEMBL3594621)	Displacement of [3H]LSD from human 5HT2B receptor expressed in stable HEK cells membranes
50046301	1	ChEMBL_1506153 (CHEMBL3594629)	Inhibition of pig liver microsomes HMG-CoA reductase incubated for 5 mins in using HMG-CoA and NADPH by colorimetric method
50046301	2	ChEMBL_1506156 (CHEMBL3594632)	Inhibition of sucrase in rat intestinal mucosa pre-incubated for 40 mins using sucrose substrate
50046301	3	ChEMBL_1506160 (CHEMBL3594636)	Inhibition of HMG-CoA reductase (unknown origin)
50046301	4	ChEMBL_1506157 (CHEMBL3594633)	Inhibition of maltase in rat intestinal mucosa pre-incubated for 40 mins using maltose substrate
50046302	1	ChEMBL_1508094 (CHEMBL3599695)	Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes
50046303	1	ChEMBL_1508098 (CHEMBL3599826)	Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method
50046304	1	ChEMBL_1506282 (CHEMBL3599260)	Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins prior to LTD4 addition measured after 1 hr by Fura 2-AM dye-based fluorescence assay
50019904	2	ChEMBL_443349 (CHEMBL893597)	Agonist activity at rat mGluR2 receptor expressed in CHO cells assessed as effect on intracellular cAMP level
50019904	4	ChEMBL_443347 (CHEMBL893595)	Antagonist activity at rat mGluR1a receptor expressed in CHO cells assessed as effect on intracellular calcium level
50019904	3	ChEMBL_443346 (CHEMBL893594)	Agonist activity at rat mGluR1a receptor expressed in CHO cells assessed as effect on intracellular calcium level
50019904	5	ChEMBL_443350 (CHEMBL893598)	Agonist activity at rat mGluR4 receptor expressed in CHO cells assessed as effect on intracellular cAMP level
50019904	1	ChEMBL_443348 (CHEMBL893596)	Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as effect on intracellular cAMP level
50019905	1	ChEMBL_443351 (CHEMBL893599)	Displacement of [3H]citalopram from Sprague-Dawley rat SERT
50046304	2	ChEMBL_1506283 (CHEMBL3599261)	Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins prior to LTD4 addition measured after 1 hr by Fura 2-AM dye-based fluorescence assay
50046304	3	ChEMBL_1506309 (CHEMBL3599287)	Antagonist activity at guinea pig CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins prior to LTD4 addition measured after 1 hr by Fura 2-AM dye-based fluorescence assay
50046304	4	ChEMBL_1506310 (CHEMBL3599288)	Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 mins prior to LTD4 addition measured after 1 hr by Fura 2-AM dye-based fluorescence assay
50046304	5	ChEMBL_1506469 (CHEMBL3599868)	Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 addition by Aequorin luminescence assay
50046304	6	ChEMBL_1506470 (CHEMBL3599869)	Antagonist activity at human CysLT1
50046305	1	ChEMBL_1506483 (CHEMBL3599949)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)
50046305	2	ChEMBL_1506484 (CHEMBL3599950)	Displacement of [125I]DOI from 5HT2A receptor (unknown origin)
50046305	3	ChEMBL_1506485 (CHEMBL3599951)	Displacement of [125I]DOI from 5HT2C receptor (unknown origin)
50046305	4	ChEMBL_1506486 (CHEMBL3599952)	Agonist activity at 5HT1A receptor (unknown origin) by [35S]GTPgammaS binding assay
50046305	5	ChEMBL_1506471 (CHEMBL3599870)	Binding affinity to dopamine D3 receptor (unknown origin)
50046305	6	ChEMBL_1506472 (CHEMBL3599871)	Binding affinity to dopamine D2 receptor (unknown origin)
50046305	7	ChEMBL_1506474 (CHEMBL3599873)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting
50019912	5	ChEMBL_429499 (CHEMBL918622)	Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Mcl1 by ELISA assay
50019912	2	ChEMBL_429496 (CHEMBL918619)	Displacement of FAM-Bid BH3 peptide from human recombinant Bcl2 by FP-based binding assay
50019912	1	ChEMBL_429500 (CHEMBL918623)	Displacement of biotinylated Bim BH3 peptide from recombinant His-tagged Bcl2 by ELISA assay
50019912	4	ChEMBL_429498 (CHEMBL918621)	Displacement of FAM-Bid BH3 peptide from human Mcl1 by FP-based binding assay
50019912	3	ChEMBL_429497 (CHEMBL918620)	Displacement of FAM-Bak BH3 peptide from human Bcl-xL by FP-based binding assay
50019914	1	ChEMBL_434254 (CHEMBL916998)	Inhibition of 5LOX in human PBMC by EIA assay
50019914	3	ChEMBL_434256 (CHEMBL917000)	Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assay
50019914	2	ChEMBL_434255 (CHEMBL916999)	Inhibition of 15LOX in rabbit reticulocytes by EIA assay
50046305	8	ChEMBL_1506475 (CHEMBL3599874)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting
50019915	1	ChEMBL_455153 (CHEMBL887183)	Inhibition of GST tagged Cdc25B
50019916	1	ChEMBL_455155 (CHEMBL887185)	Binding affinity to ERalpha
50019917	1	ChEMBL_443352 (CHEMBL893600)	Inhibition of human cathepsin S
50019918	3	ChEMBL_455156 (CHEMBL887186)	Agonist activity at human PPARalpha by transactivation assay
50019918	2	ChEMBL_455158 (CHEMBL887188)	Agonist activity at human PPARgamma by transactivation assay
50019918	1	ChEMBL_455160 (CHEMBL887190)	Agonist activity at human PPARdelta by transactivation assay
50019920	1	ChEMBL_435963 (CHEMBL905368)	Inhibition of human xanthine oxidase
50046305	9	ChEMBL_1506477 (CHEMBL3599876)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis
50046305	10	ChEMBL_1506479 (CHEMBL3599945)	Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis
50019924	1	ChEMBL_429518 (CHEMBL918059)	Inhibition of SARS coronavirus 3C-like protease
50019925	1	ChEMBL_431840 (CHEMBL916483)	Binding affinity to adenosine A2A receptor in rat brain striatum
50019930	1	ChEMBL_438557 (CHEMBL887658)	Displacement of [3H]CP-559440 from human CB1 receptor expressed in HEK293 cells
50019930	2	ChEMBL_438558 (CHEMBL887659)	Displacement of [3H]CP-559440 from human CB2 receptor expressed in HEK293 cells
50019936	2	ChEMBL_443413 (CHEMBL893666)	Binding Affinity at CCL3
50046305	11	ChEMBL_1506480 (CHEMBL3599946)	Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis
50019937	1	ChEMBL_455196 (CHEMBL906357)	Inhibition of human recombinant ATP-citrate lyase
50019937	2	ChEMBL_455217 (CHEMBL906378)	Inhibition of human ACC1
50019947	1	ChEMBL_429520 (CHEMBL918061)	Inhibition of MIF tautomerase activity by spectrophotometric assay
50019951	1	ChEMBL_436006 (CHEMBL905411)	Inhibition of integrin alphavbeta1 receptor expressed in HEK293 cells
50019951	3	ChEMBL_436007 (CHEMBL905412)	Inhibition of human integrin alpha-v-beta-3 receptor expressed in HEK293 cells
50019951	4	ChEMBL_436008 (CHEMBL905413)	Inhibition of integrin alpha-v-beta-5 receptor expressed in HEK293 cells
50019951	2	ChEMBL_436005 (CHEMBL905410)	Inhibition of human integrin alpha-v-beta-3 receptor by solid phase receptor assay
50019951	5	ChEMBL_436009 (CHEMBL905414)	Inhibition of integrin alpha-beta-6 receptor expressed in HT29 cells
50046305	12	ChEMBL_1506482 (CHEMBL3599948)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis
50019960	7	ChEMBL_455229 (CHEMBL906390)	Inhibition of Flt1 by HTRF assay
50019960	9	ChEMBL_455228 (CHEMBL906389)	Inhibition of KDR by HTRF assay
50019960	2	ChEMBL_455232 (CHEMBL906393)	Inhibition of Flt3 by HTRF assay
50019960	5	ChEMBL_455230 (CHEMBL906391)	Inhibition of c-Kit by HTRF assay
50019960	8	ChEMBL_455237 (CHEMBL906398)	Inhibition of Lyn by HTRF assay
50019960	3	ChEMBL_455233 (CHEMBL906394)	Inhibition of Tie2 by HTRF assay
50019960	11	ChEMBL_455235 (CHEMBL906396)	Inhibition of Fyn by HTRF assay
50019960	4	ChEMBL_455234 (CHEMBL906395)	Inhibition of Lck by HTRF assay
50019960	10	ChEMBL_455236 (CHEMBL906397)	Inhibition of Hck by HTRF assay
50019960	1	ChEMBL_455231 (CHEMBL906392)	Inhibition of CSF1R by HTRF assay
50019960	6	ChEMBL_455238 (CHEMBL906399)	Inhibition of Src by HTRF assay
50019962	3	ChEMBL_443460 (CHEMBL893718)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50019962	4	ChEMBL_443465 (CHEMBL893723)	Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells
50019962	1	ChEMBL_443464 (CHEMBL893722)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells
50019962	2	ChEMBL_443463 (CHEMBL893721)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells
50019964	2	ChEMBL_436056 (CHEMBL905461)	Displacement of [3H]cytisine from human alpha-4-beta-2 nAChR expressed in SH-EP1 cells
50019964	1	ChEMBL_436055 (CHEMBL905460)	Displacement of [125I]alpha-bungarotoxin from human alpha-7 nAChR expressed in SH-SY5Y cells
50019970	3	ChEMBL_443482 (CHEMBL893740)	Inhibition of KSP
50019970	4	ChEMBL_443485 (CHEMBL893743)	Inhibition of hERG expressed in CHO cells by cell voltage clamp assay
50019970	2	ChEMBL_443490 (CHEMBL893748)	Inhibition of KSP in KBV1 cells overexpressing Pgp
50019970	1	ChEMBL_443489 (CHEMBL893747)	Inhibition of KSP in KB31 cells
50019971	1	ChEMBL_455247 (CHEMBL906408)	Inhibition of human IMP-dehydrogenase type 2
50019971	2	ChEMBL_455246 (CHEMBL906407)	Inhibition of human IMP-dehydrogenase type 1
50019973	1	ChEMBL_455249 (CHEMBL906410)	Inhibition of rat neuronal NOS
50019974	2	ChEMBL_455257 (CHEMBL906418)	Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells co-expressing Galpha16 by FLIPR assay
50019974	1	ChEMBL_455256 (CHEMBL906417)	Displacement of human MDC from recombinant CCR4 receptor expressed in CHO cells co-expressing Galpha16 by FLIPR assay
50019974	3	ChEMBL_455258 (CHEMBL903232)	Displacement of mouse MDC from recombinant CCR4 receptor expressed in CHO cells coexpressing G-alpha-16 by FLIPR assay
50046306	1	ChEMBL_1506501 (CHEMBL3599967)	Binding affinity to wild type His6-Gbeta1-fused HIF-2alpha PAS-B domain (240 to 350) (unknown origin) expressed in Escherichia coli by ITC analysis
50025160	1	ChEMBL_505157 (CHEMBL950791)	Inhibition of PKCbeta1
50025161	9	ChEMBL_505168 (CHEMBL950802)	Inhibition of FAK Tyr397 phosphorylation in human A431 cells by ELISA
50025161	2	ChEMBL_505170 (CHEMBL950804)	Inhibition of FAK Tyr397 phosphorylation in human PC3 cells after 60 mins by Western blot analysis
50025161	3	ChEMBL_505171 (CHEMBL950805)	Inhibition of FAK Tyr397 phosphorylation in human SKOV3 cells after 60 mins by Western blot analysis
50025161	5	ChEMBL_505172 (CHEMBL950806)	Inhibition of FAK Tyr397 phosphorylation in human L3.6pl cells after 60 mins by Western blot analysis
50025161	7	ChEMBL_505173 (CHEMBL950807)	Inhibition of FAK Tyr397 phosphorylation in human FG cells after 60 mins by Western blot analysis
50025161	8	ChEMBL_505194 (CHEMBL941301)	Inhibition of FAK
50025161	10	ChEMBL_505195 (CHEMBL941302)	Inhibition of Pyk2
50025161	4	ChEMBL_505237 (CHEMBL941344)	Inhibition of human CDK1/cyclinB
50025161	6	ChEMBL_505238 (CHEMBL941345)	Inhibition of human CDK7/cyclinH/MAT1
50025161	1	ChEMBL_505239 (CHEMBL941346)	Inhibition of human GSK3-beta
50019981	1	ChEMBL_443515 (CHEMBL893770)	Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane
50019983	1	ChEMBL_438576 (CHEMBL887681)	Inhibition of erbB2 in NH3T3 cells
50019983	2	ChEMBL_438575 (CHEMBL887682)	Inhibition of erbB2 expressed in Sf9 cells
50019984	1	ChEMBL_438598 (CHEMBL887758)	Inhibition of CYP1A2 in microsomes
50019984	3	ChEMBL_438601 (CHEMBL887696)	Inhibition of CYP2C9 in microsomes
50019984	5	ChEMBL_438600 (CHEMBL887697)	Inhibition of CYP3A4 in microsomes
50019984	2	ChEMBL_438597 (CHEMBL887757)	Inhibition of human IGF1R expressed in recombinant insect cells
50019984	4	ChEMBL_438602 (CHEMBL887756)	Inhibition of CYP2D6 in microsomes
50046306	2	ChEMBL_1506506 (CHEMBL3599972)	Binding affinity to wild type GST-tagged HIF-2alpha PAS-B (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with with His6-Gbeta1/FLAG fused ARNT PAS-B after 4 hrs by AlphaScreen assay
50019985	3	ChEMBL_443531 (CHEMBL893788)	Inhibition of human BChE
50019985	1	ChEMBL_443530 (CHEMBL893787)	Inhibition of human AChE
50019985	2	ChEMBL_443528 (CHEMBL893785)	Inhibition of human carboxylesterase 1
50019985	4	ChEMBL_443527 (CHEMBL893784)	Inhibition of human intestinal carboxylesterase
50019986	1	ChEMBL_443533 (CHEMBL893790)	Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cells
50019986	2	ChEMBL_443534 (CHEMBL893791)	Inhibition of alpha-V-beta-6 integrin receptor in human HT29 cells
50019986	3	ChEMBL_443535 (CHEMBL893792)	Inhibition of alpha-V-beta-6 integrin receptor in human 293 cells
50019989	1	ChEMBL_458972 (CHEMBL925066)	Inhibition of human ADA
50019990	8	ChEMBL_443554 (CHEMBL893811)	Inhibition of human CYP2C8 expressed in insect microsome after 30 mins
50019990	9	ChEMBL_443553 (CHEMBL893810)	Inhibition of human CYP2B6 expressed in insect microsome after 30 mins
50019990	7	ChEMBL_443551 (CHEMBL893806)	Inhibition of human CYP1A2 expressed in insect microsome after 15 mins
50019990	3	ChEMBL_443557 (CHEMBL893814)	Inhibition of human CYP2D6 expressed in insect microsome after 30 mins
50019990	2	ChEMBL_443558 (CHEMBL893815)	Inhibition of human CYP2E1 expressed in insect microsome after 45 mins
50019990	6	ChEMBL_443555 (CHEMBL893812)	Inhibition of human CYP2C9 expressed in insect microsome after 45 mins
50019990	4	ChEMBL_443556 (CHEMBL893813)	Inhibition of human CYP2C19 expressed in insect microsome after 30 mins
50046306	3	ChEMBL_1506505 (CHEMBL3599971)	Binding affinity to wild type GST-tagged HIF-2alpha PAS-B S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with with His6-Gbeta1/FLAG-fused ARNT PAS-B after 4 hrs by AlphaScreen assay
50019991	1	ChEMBL_443566 (CHEMBL893823)	Binding affinity to human serum albumin
50019993	2	ChEMBL_455270 (CHEMBL886046)	Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay
50019993	1	ChEMBL_455271 (CHEMBL886047)	Inhibition of CYP2C9
50019994	1	ChEMBL_438604 (CHEMBL887761)	Inhibition of Plasmodium falciparum plasmepsin-2
50019999	1	ChEMBL_443644 (CHEMBL893902)	Inhibition of human recombinant CYP3A4
50020004	1	ChEMBL_434290 (CHEMBL918450)	Antagonist activity at rat GnRHR expressed in HEK293 cells assessed as inhibition of GnRH-induced luciferase response by reporter gene assay
50020004	2	ChEMBL_434289 (CHEMBL918449)	Antagonist activity at human GnRHR expressed in HEK293 cells assessed as inhibition of GnRH-induced luciferase response by reporter gene assay
50025165	1	ChEMBL_505470 (CHEMBL944605)	Inhibition of rat alpha2 homomeric glycine receptor expressed in CHO cells assessed as inhibition of 300 uM glycine-elicited current by outside patch clamp technique
50020022	1	ChEMBL_434326 (CHEMBL917907)	Agonist activity at human P2Y14 expressed in COS7 cells assessed as stimulation of PLC-mediated [3H]inositol hydrolysis
50046306	4	ChEMBL_1506507 (CHEMBL3599973)	Inhibition of HIF-2alpha in human Hep3B cells assessed as downregulation of EPO mRNA expression by RT-PCR analysis
50046306	5	ChEMBL_1506502 (CHEMBL3599968)	Binding affinity to His6-Gbeta1-fused HIF-2alpha PAS-B domain S304M mutant (240 to 350) (unknown origin) expressed in Escherichia coli by ITC analysis
50046306	6	ChEMBL_1506504 (CHEMBL3599970)	Binding affinity to wild type GST-fused HIF-1alpha PAS-B domain (238 to 349) (unknown origin) expressed in Escherichia coli assessed as compound-protein complex formation by ITC analysis
50046307	1	ChEMBL_1506756 (CHEMBL3598915)	Inhibition of human HDAC8
50046307	2	ChEMBL_1506755 (CHEMBL3598914)	Inhibition of human HDAC3
50046307	3	ChEMBL_1506754 (CHEMBL3598913)	Inhibition of human HDAC2
50046307	4	ChEMBL_1506753 (CHEMBL3598912)	Inhibition of human HDAC1
50020026	1	ChEMBL_443656 (CHEMBL893915)	Displacement of [3H]paroxetine from 5HT reuptake site of rat cortical 5HTT
50020026	4	ChEMBL_443661 (CHEMBL893919)	Agonist activity at human 5HT1A receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding
50020026	2	ChEMBL_443657 (CHEMBL893916)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50046307	5	ChEMBL_1506757 (CHEMBL3598916)	Inhibition of human HDAC4
50020027	2	ChEMBL_443664 (CHEMBL893922)	Inhibition of PTP1B
50020027	1	ChEMBL_443663 (CHEMBL893921)	Inhibition of IKK-beta after 30 mins
50046307	6	ChEMBL_1506758 (CHEMBL3598917)	Inhibition of human HDAC5
50046307	7	ChEMBL_1506762 (CHEMBL3598921)	Inhibition of human HDAC10
50046307	8	ChEMBL_1506763 (CHEMBL3598922)	Inhibition of human HDAC11
50046307	9	ChEMBL_1506761 (CHEMBL3598920)	Inhibition of human HDAC6
50046307	10	ChEMBL_1506759 (CHEMBL3598918)	Inhibition of human HDAC7
50046307	11	ChEMBL_1506760 (CHEMBL3598919)	Inhibition of human HDAC9
50020031	1	ChEMBL_455298 (CHEMBL886074)	Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells
50020032	1	ChEMBL_434361 (CHEMBL919420)	Antagonist activity at human bradykinin B1 receptor expressed in CHOD cells assessed as effect on DAK-induced calcium flux
50020032	2	ChEMBL_434360 (CHEMBL919419)	Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells
50020032	3	ChEMBL_434373 (CHEMBL919421)	Antagonist activity at rat bradykinin B1 receptor
50020032	4	ChEMBL_434374 (CHEMBL919418)	Antagonist activity at rabbit bradykinin B1 receptor
50046315	1	ChEMBL_1507410 (CHEMBL3599211)	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS activity incubated for 30 mins prior to LPS challenge measured after 24 hrs by Griess assay
50020042	2	ChEMBL_455315 (CHEMBL886091)	Binding affinity at human histamine H3 receptor
50020042	1	ChEMBL_455314 (CHEMBL886090)	Binding affinity at human SERT
50020042	3	ChEMBL_455313 (CHEMBL886089)	Binding affinity at rat SERT
50020042	4	ChEMBL_455318 (CHEMBL886094)	Binding affinity at human noradrenaline transporter
50020043	1	ChEMBL_455320 (CHEMBL886096)	Displacement of [125I]angiotensin-2 from bovine adrenal cortex AT1 receptor
50046316	1	ChEMBL_1507447 (CHEMBL3599354)	Agonist activity at PPAR-alpha (unknown origin) expressed in CV-1 cells co-transfected with tk-PPRE-luciferase vector after 24 hrs by by transactivation assay
50046316	2	ChEMBL_1507448 (CHEMBL3599355)	Agonist activity at PPAR-gamma (unknown origin) expressed in CV-1 cells co-transfected with tk-PPRE-luciferase vector after 24 hrs by by transactivation assay
50046316	3	ChEMBL_1507449 (CHEMBL3599356)	Agonist activity at PPAR-delta (unknown origin) expressed in HEK293t cells co-transfected with tk-PPRE-luciferase vector after 24 hrs by by transactivation assay
50046317	1	ChEMBL_1507526 (CHEMBL3599782)	Inhibition of human APN
50046317	2	ChEMBL_1507527 (CHEMBL3599783)	Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis
50046317	3	ChEMBL_1507539 (CHEMBL3599795)	Inhibition of cytosolic leucine aminopeptidase (unknown origin)
50046317	4	ChEMBL_1507540 (CHEMBL3599796)	Inhibition of aeromonas proteolytica aminopeptidase
50046318	1	ChEMBL_1507560 (CHEMBL3599816)	Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated with enzyme for 1 hr by FRET assay
50046318	2	ChEMBL_1507558 (CHEMBL3599814)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by Ellman's method
50020055	2	ChEMBL_443804 (CHEMBL892967)	Inhibition of human thrombin
50020055	1	ChEMBL_443802 (CHEMBL892965)	Inhibition of human factor 10a
50020062	4	ChEMBL_443904 (CHEMBL893070)	Inhibition of human DPP4
50020062	2	ChEMBL_443911 (CHEMBL893077)	Inhibition of CYP2D6
50020062	3	ChEMBL_443910 (CHEMBL893074)	Inhibition of CYP2C9
50020062	1	ChEMBL_443912 (CHEMBL893078)	Inhibition of CYP3A4
50020064	11	ChEMBL_458974 (CHEMBL925069)	Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells after 30 mins
50020064	4	ChEMBL_458976 (CHEMBL925068)	Inhibition of human recombinant CYP2D6
50020064	1	ChEMBL_458977 (CHEMBL925071)	Antagonist activity at CCR3 in human eosinophils assessed as eotaxin-induced calcium mobilization by FLIPR assay
50020064	8	ChEMBL_458980 (CHEMBL925074)	Binding affinity to serotonin transporter
50020064	5	ChEMBL_458979 (CHEMBL925073)	Inhibition of dopamine D2 receptor
50046319	1	ChEMBL_1507574 (CHEMBL3599916)	Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry
50020064	7	ChEMBL_458981 (CHEMBL925075)	Binding affinity to dopamine transporter
50020064	10	ChEMBL_458983 (CHEMBL925077)	Inhibition of hERG
50020064	2	ChEMBL_458978 (CHEMBL925072)	Inhibition of 5HT2A receptor
50020064	12	ChEMBL_458982 (CHEMBL925076)	Binding affinity to norepinephrine transporter
50046319	2	ChEMBL_1507634 (CHEMBL3600045)	Negative allosteric modulatory activity at rat cloned mGluR1 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced calcium mobilization treated 10 mins prior to agonist application by fluorescence analysis
50020065	1	ChEMBL_438619 (CHEMBL888950)	Inhibition of gamma-secretase
50020073	2	ChEMBL_443938 (CHEMBL893104)	Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT
50020073	3	ChEMBL_443937 (CHEMBL893103)	Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT
50020073	4	ChEMBL_443936 (CHEMBL893102)	Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex
50020073	1	ChEMBL_443939 (CHEMBL893105)	Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT
50020075	3	ChEMBL_455355 (CHEMBL886130)	Inhibition of human recombinant chymase
50020075	1	ChEMBL_455359 (CHEMBL886134)	Inhibition of human neutrophil elastase
50020075	2	ChEMBL_455357 (CHEMBL886132)	Inhibition of human neutrophil cathepsin G
50020076	2	ChEMBL_443952 (CHEMBL893117)	Binding affinity to rat 5HT1A
50020076	1	ChEMBL_443951 (CHEMBL893116)	Displacement of [3H]LSD from human 5HT7 in sf9 cells
50020079	2	ChEMBL_434481 (CHEMBL912071)	Inhibition of human HDAC1
50020079	1	ChEMBL_434482 (CHEMBL912072)	Inhibition of human HDAC8
50046319	3	ChEMBL_1507572 (CHEMBL3599914)	Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry
50046319	4	ChEMBL_1507571 (CHEMBL3599913)	Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry
50020085	6	ChEMBL_455364 (CHEMBL886139)	Inhibition of thrombin by fluorogenic assay
50020085	1	ChEMBL_455368 (CHEMBL886143)	Inhibition of plasmin by fluorogenic assay
50020085	2	ChEMBL_455367 (CHEMBL886142)	Inhibition of activated protein C by fluorogenic assay
50020085	3	ChEMBL_455370 (CHEMBL886145)	Inhibition of kallikrein by fluorogenic assay
50020085	4	ChEMBL_455371 (CHEMBL886146)	Inhibition of tissue plasminogen activator by fluorogenic assay
50020085	5	ChEMBL_455363 (CHEMBL886138)	Inhibition of factor 10a by fluorogenic assay
50020086	3	ChEMBL_443964 (CHEMBL892111)	Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane
50020086	1	ChEMBL_443966 (CHEMBL892113)	Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane
50046319	5	ChEMBL_1507573 (CHEMBL3599915)	Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced calcium mobilization treated 10 mins prior to agonist application by fluorescence analysis
50020086	2	ChEMBL_443967 (CHEMBL892114)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane
50046320	1	ChEMBL_1507636 (CHEMBL3600047)	Inhibition of BCR-ABL1 (unknown origin) assessed as ATP remaining by Kinase-Glo luminescent kinase assay
50046321	2	ChEMBL_1507781 (CHEMBL3598538)	Inhibition of human 15-LOX-1 using arachidonic acid as substrate
50020104	14	ChEMBL_434550 (CHEMBL914197)	Inhibition of CSF1R
50020104	7	ChEMBL_434530 (CHEMBL914746)	Inhibition of VEGF-induced phosphorylation of human KDR expressed in mouse NIH3T3 cell line by Western blot
50020104	9	ChEMBL_434542 (CHEMBL914758)	Inhibition of hERG expressed in HEK293 cells assessed as effect on ionic current by patch clamp assay
50020104	11	ChEMBL_434554 (CHEMBL914201)	Inhibition of Fyn
50020104	8	ChEMBL_434546 (CHEMBL914193)	Inhibition of Flt1
50020104	10	ChEMBL_434553 (CHEMBL914200)	Inhibition of Lck
50020104	1	ChEMBL_434549 (CHEMBL914196)	Inhibition of Flt3
50046322	1	ChEMBL_1507791 (CHEMBL3598548)	Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis
50020104	12	ChEMBL_434551 (CHEMBL914198)	Inhibition of c-Kit
50020104	5	ChEMBL_434556 (CHEMBL914203)	Inhibition of Hck
50020104	13	ChEMBL_434552 (CHEMBL914199)	Inhibition of Tie2
50046322	2	ChEMBL_1507790 (CHEMBL3598547)	Reversible inhibition of rat liver S-adenosyl-L-homocysteine hydrolase
50020104	6	ChEMBL_434555 (CHEMBL914202)	Inhibition of Src
50046323	2	ChEMBL_1507807 (CHEMBL3598671)	Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as iodide influx after 24 hrs by HS-YFP assay
50020105	2	ChEMBL_434567 (CHEMBL914214)	Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarization
50046324	1	ChEMBL_1508026 (CHEMBL3599516)	Inhibition of Dyrk3 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	2	ChEMBL_1508044 (CHEMBL3599534)	Inhibition of Dyrk1A (unknown origin) using dynatide 3 as substrate after 10 mins by P81 membrane assay in presence of [33P]-g-ATP
50020106	1	ChEMBL_434575 (CHEMBL914222)	Displacement of [125I]PYY from human NPY5
50020106	4	ChEMBL_434572 (CHEMBL914219)	Agonist activity at human NPY2 by [35S]GTPgammaS cAMP accumulation assay
50020106	3	ChEMBL_434574 (CHEMBL914221)	Displacement of [125I]PYY from human NPY1
50020106	2	ChEMBL_434573 (CHEMBL914220)	Displacement of [125I]PYY from human NPY2
50020107	2	ChEMBL_434589 (CHEMBL915696)	Inhibition of CYP2C9
50020107	3	ChEMBL_434588 (CHEMBL914235)	Inhibition of CYP2C19
50020107	5	ChEMBL_434616 (CHEMBL915723)	Inhibition of CYP1A2
50020107	4	ChEMBL_434590 (CHEMBL915697)	Inhibition of CYP2D6
50020107	1	ChEMBL_434591 (CHEMBL915698)	Inhibition of CYP3A4
50020112	1	ChEMBL_443978 (CHEMBL893140)	Binding affinity at human bradykinin B1 receptor
50020112	2	ChEMBL_443979 (CHEMBL893141)	Antagonist activity in human bradykinin B1 receptor by FLIPR method
50046324	3	ChEMBL_1508045 (CHEMBL3599535)	Inhibition of rat Dyrk1A using Woodtide as substrate after 40 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	4	ChEMBL_1508046 (CHEMBL3599536)	Inhibition of Dyrk1A (unknown origin)
50046324	5	ChEMBL_1508047 (CHEMBL3599537)	Inhibition of human recombinant His6-tagged Dyrk1A expressed in Escherichia coli using Woodtide as substrate after 15 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	6	ChEMBL_1508048 (CHEMBL3599538)	Inhibition of human recombinant Dyrk1B using Woodtide as substrate after 15 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	7	ChEMBL_1508049 (CHEMBL3599539)	Inhibition of human recombinant GST-fused Dyrk2 expressed in Escherichia coli using Woodtide as substrate after 15 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	8	ChEMBL_1508020 (CHEMBL3599390)	Inhibition of Dyrk1A (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP
50046324	9	ChEMBL_1508025 (CHEMBL3599515)	Inhibition of Dyrk2 (unknown origin) using Woodtide as substrate after 30 mins by P81 membrane assay in presence of [33P]-g-ATP
50046325	1	ChEMBL_1506249 (CHEMBL3599133)	Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated for 1 hr followed by TRAP220 addition by FRET analysis
50046325	2	ChEMBL_1506250 (CHEMBL3599134)	Inverse agonist activity at RORgamma (unknown origin) transfected in HEK293T cells after 16 to 20 hrs by GAL4 luciferase reporter gene assay
50046325	3	ChEMBL_1506251 (CHEMBL3599135)	Inverse agonist activity at RORgamma in C57BL/6 mouse splenocytes assessed as reduction of IL-17 production after 2 days by ELISA
50046325	4	ChEMBL_1506255 (CHEMBL3599139)	Inverse agonist activity at RORalpha (unknown origin)
50046325	5	ChEMBL_1506256 (CHEMBL3599140)	Inverse agonist activity at RORbeta (unknown origin)
50046325	6	ChEMBL_1506257 (CHEMBL3599141)	Activation of PXR (unknown origin)
50046326	1	ChEMBL_1506408 (CHEMBL3599704)	Agonist activity at human GPR119 by HTRF cAMP assay
50020116	1	ChEMBL_455389 (CHEMBL886164)	Inhibition of thrombin
50020118	1	ChEMBL_455391 (CHEMBL886166)	Inhibition of alpha-glucosidase
50020120	1	ChEMBL_444045 (CHEMBL893213)	Inhibition of MMP2 expressed in insect cells
50025170	10	ChEMBL_505730 (CHEMBL945436)	Antagonist activity at PTH/PTH-related peptide receptor expressed in HKRK-B28 cells assessed as inhibition of parathyroid hormone (1 to 34)-induced cAMP production
50025170	8	ChEMBL_505750 (CHEMBL945456)	Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor expressed in HKRK-B28 cells in presence of SW106
50025170	1	ChEMBL_505704 (CHEMBL944466)	Binding affinity to PTH/PTH-related peptide receptor expressed in HKRK-B28 cells
50025170	6	ChEMBL_505699 (CHEMBL944461)	Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of intracellular calcium mobilization
50025170	11	ChEMBL_505700 (CHEMBL944462)	Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter assay
50025170	13	ChEMBL_505702 (CHEMBL944464)	Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation
50025170	12	ChEMBL_505701 (CHEMBL944463)	Activity at rat PTH/PTH-related peptide receptor expressed in rat UMR106 cells assessed as cAMP formation
50025170	2	ChEMBL_505703 (CHEMBL944465)	Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor expressed in HKRK-B28 cells
50025170	9	ChEMBL_505745 (CHEMBL945451)	Inhibition of 5HT2A receptor
50025170	7	ChEMBL_505746 (CHEMBL945452)	Inhibition of adrenergic Alpha-1D receptor
50025170	3	ChEMBL_505747 (CHEMBL945453)	Inhibition of neurokinin 2 receptor
50025170	5	ChEMBL_505748 (CHEMBL945454)	Inhibition of adrenergic Alpha-2C receptor
50025170	4	ChEMBL_505729 (CHEMBL945435)	Antagonist activity at PTH/PTH-related peptide receptor expressed in HKRK-B28 cells assessed as inhibition of DPC-AJ1951-induced cAMP production
50046326	2	ChEMBL_1506410 (CHEMBL3599706)	Agonist activity at human GPR119 by serum shift assay
50020126	1	ChEMBL_455393 (CHEMBL886170)	Inhibition of Eimeria tenella cGMP-dependent protein kinase by Ten_K assay
50020129	6	ChEMBL_444054 (CHEMBL893217)	Inhibition of DPP8
50020129	5	ChEMBL_444053 (CHEMBL893216)	Inhibition of DPP4
50020129	4	ChEMBL_444056 (CHEMBL893219)	Inhibition of QPP
50020129	3	ChEMBL_444055 (CHEMBL893218)	Inhibition of DPP9
50020129	1	ChEMBL_444075 (CHEMBL893238)	Inhibition of mouse DPP4
50020130	2	ChEMBL_455438 (CHEMBL886214)	Inhibition of MMP2 after 30 mins
50046326	3	ChEMBL_1506411 (CHEMBL3599707)	Agonist activity at rat GPR119 by HTRF cAMP assay
50020132	5	ChEMBL_444080 (CHEMBL893243)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane
50020132	3	ChEMBL_444079 (CHEMBL893242)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane
50046326	4	ChEMBL_1506416 (CHEMBL3599712)	Agonist activity at canine GPR119 by HTRF cAMP assay
50046326	5	ChEMBL_1506420 (CHEMBL3599716)	Agonist activity at mouse GPR119 by HTRF cAMP assay
50046326	6	ChEMBL_1506448 (CHEMBL3599847)	Displacement of [3H]-Astemizole from human ERG
50046326	7	ChEMBL_1506449 (CHEMBL3599848)	Inhibition of human ERG by patch clamp assay
50046327	1	ChEMBL_1506461 (CHEMBL3599860)	Inhibition of aurora B kinase (unknown origin) using ATP and SB2 substrate incubated at 37 degC for 2 hrs by kinase-Glo reagent based luminescent kinase assay
50020132	1	ChEMBL_444084 (CHEMBL893247)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding after 60 mins
50020134	3	ChEMBL_444090 (CHEMBL893253)	Inhibition of BACE2 expressed in HEK293 cells
50020134	1	ChEMBL_444091 (CHEMBL893254)	Inhibition of cathepsin D expressed in HEK293 cells
50046328	1	ChEMBL_1506467 (CHEMBL3599866)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	2	ChEMBL_1506468 (CHEMBL3599867)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	3	ChEMBL_1506555 (CHEMBL3600176)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	4	ChEMBL_1506556 (CHEMBL3600177)	Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	5	ChEMBL_1506557 (CHEMBL3600178)	Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	6	ChEMBL_1506558 (CHEMBL3600179)	Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	7	ChEMBL_1506559 (CHEMBL3600180)	Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046328	8	ChEMBL_1506585 (CHEMBL3598338)	Agonist activity at PPARgamma (unknown origin)
50046328	9	ChEMBL_1506463 (CHEMBL3599862)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50020140	1	ChEMBL_444110 (CHEMBL892236)	Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes
50020140	3	ChEMBL_444107 (CHEMBL892233)	Displacement of [3H]GR-125743 from human 5HT1B expressed in LM(tk-) cells
50020140	5	ChEMBL_444103 (CHEMBL893266)	Displacement of [3H]GR-125743 from human 5HT1D expressed in LM(tk-) cells
50020140	6	ChEMBL_444106 (CHEMBL892232)	Displacement of [3H]citalopram from human 5HT transporter expressed in HEK293 cells
50020140	2	ChEMBL_444108 (CHEMBL892234)	Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells
50020141	3	ChEMBL_444118 (CHEMBL893277)	Inhibition of DPP4 activity
50020141	1	ChEMBL_444120 (CHEMBL893279)	Inhibition of DPP9 activity
50020141	2	ChEMBL_444119 (CHEMBL893278)	Inhibition of DPP8 activity
50046328	10	ChEMBL_1506465 (CHEMBL3599864)	Displacement of fluormone PPARgamma green from GST-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay
50020143	1	ChEMBL_438638 (CHEMBL888969)	Inhibition of cathepsin D
50020144	2	ChEMBL_455468 (CHEMBL886244)	Inhibition of human recombinant chymase
50020144	1	ChEMBL_455471 (CHEMBL886247)	Inhibition of human cathepsin G
50025178	1	ChEMBL_553112 (CHEMBL966142)	Inhibition of Citrobacter freundii PER2 beta lactamase
50020167	1	ChEMBL_455483 (CHEMBL886262)	Inhibition of human 11-beta-HSD1 by SPA
50020167	2	ChEMBL_455484 (CHEMBL886263)	Inhibition of 11betaHSD2
50020168	2	ChEMBL_444149 (CHEMBL893308)	Binding affinity to human CA1 by typical isothermal titration calorimetry
50020168	1	ChEMBL_444150 (CHEMBL893309)	Binding affinity to bovine CA2 by typical isothermal titration calorimetry
50020176	4	ChEMBL_444175 (CHEMBL893334)	Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells
50020176	5	ChEMBL_444173 (CHEMBL893332)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells
50020176	3	ChEMBL_444174 (CHEMBL893333)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50020178	1	ChEMBL_438653 (CHEMBL888984)	Displacement of [3H]MPEP from mGluR5 in rat brain membrane
50020179	5	ChEMBL_444185 (CHEMBL892293)	Binding affinity at rat CCR1
50020179	1	ChEMBL_444183 (CHEMBL892291)	Antagonist activity against human CCR1 receptor expressed in THP1 cells assessed as inhibition of chemotaxis
50046329	1	ChEMBL_1506587 (CHEMBL3598340)	Inhibition of COX1 (unknown origin)
50046329	2	ChEMBL_1506586 (CHEMBL3598339)	Inhibition of COX2 (unknown origin)
50020180	1	ChEMBL_455486 (CHEMBL886265)	Inhibition of VZV thymidine kinase
50046330	1	ChEMBL_1506602 (CHEMBL3598355)	Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50046330	2	ChEMBL_1506599 (CHEMBL3598352)	Displacement of [3H]U-69,593 from human KOR expressed in CHO cells
50046330	3	ChEMBL_1506598 (CHEMBL3598351)	Displacement of [3H]DPDPE from human DOR expressed in CHO cells
50046330	4	ChEMBL_1506597 (CHEMBL3598350)	Displacement of [3H]DAMGO from human MOR expressed in CHO cells
50046331	2	ChEMBL_1506667 (CHEMBL3598619)	Binding affinity to human NK1 receptor
50046332	7	ChEMBL_1507028 (CHEMBL3599982)	Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method
50046332	3	ChEMBL_1507030 (CHEMBL3599984)	Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for 15 mins at pH 8.3 and 293K by CO2 hydration reaction based colorimetric stopped-flow method
50046332	4	ChEMBL_1507031 (CHEMBL3599985)	Inhibition of human carbonic anhydrase-1 by CO2 hydration reaction based colorimetric stopped-flow method
50046332	6	ChEMBL_1507034 (CHEMBL3599988)	Inhibition of Flaveria bidentis carbonic anhydrase-1 by CO2 hydration reaction based colorimetric stopped-flow method
50046333	1	ChEMBL_1508533 (CHEMBL3602569)	Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assay
50046333	2	ChEMBL_1508534 (CHEMBL3602570)	Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assay
50046334	1	ChEMBL_1508536 (CHEMBL3602572)	Inhibition of human carbonic anhydrase-1
50046334	2	ChEMBL_1508537 (CHEMBL3602573)	Inhibition of human carbonic anhydrase-2
50020183	2	ChEMBL_434809 (CHEMBL917037)	Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergent
50020183	1	ChEMBL_434808 (CHEMBL917036)	Aggregate based-inhibition of Escherichia coli AmpC beta lactamase using stringent assay conditions in presence of 0.01% Triton X-100 detergent
50020184	1	ChEMBL_436307 (CHEMBL905708)	Inhibition of mushroom tyrosinase
50020185	1	ChEMBL_434813 (CHEMBL917041)	Inhibition of HDAC1
50020185	2	ChEMBL_434814 (CHEMBL917042)	Inhibition of HDAC4
50020189	1	ChEMBL_455540 (CHEMBL886319)	Inhibition of CDK4
50020189	3	ChEMBL_455539 (CHEMBL886318)	Inhibition of FLT3
50046334	3	ChEMBL_1508538 (CHEMBL3602574)	Inhibition of human carbonic anhydrase-9
50046334	4	ChEMBL_1508539 (CHEMBL3602575)	Inhibition of human carbonic anhydrase-12
50046335	1	ChEMBL_1508611 (CHEMBL3602722)	Binding affinity to 5HT2A receptor (unknown origin)
50046335	2	ChEMBL_1508609 (CHEMBL3602720)	Binding affinity to muscarinic M1 receptor (unknown origin)
50046335	3	ChEMBL_1508608 (CHEMBL3602719)	Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method
50046335	4	ChEMBL_1508617 (CHEMBL3602728)	Inhibition of human ERG by patch clamp assay
50046336	1	ChEMBL_1508665 (CHEMBL3602820)	Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Weatherburn assay
50020194	3	ChEMBL_455550 (CHEMBL886329)	Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells
50020194	4	ChEMBL_455555 (CHEMBL886334)	Binding affinity to MCHR2
50020194	1	ChEMBL_455552 (CHEMBL886331)	Binding affinity to 5HT2A receptor
50020194	2	ChEMBL_455553 (CHEMBL886332)	Binding affinity to 5HT2C receptor
50020194	5	ChEMBL_455554 (CHEMBL886333)	Binding affinity to muscarinic M1 receptor
50020195	1	ChEMBL_438673 (CHEMBL889004)	Displacement of Eu-NDP-alpha-MSH from human melanocortin 4 receptor expressed in HEK293 cells
50046337	1	ChEMBL_1508718 (CHEMBL3602981)	Binding affinity to purified recombinant full-length Aurora A (unknown origin) by fluorescence polarisation/anisotropy based equilibrium binding assay
50046338	1	ChEMBL_1508728 (CHEMBL3602991)	Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay
50046338	2	ChEMBL_1508731 (CHEMBL3603070)	Inhibition of CYP1A2 (unknown origin) by fluorescence-based assay
50046338	3	ChEMBL_1508732 (CHEMBL3603071)	Inhibition of CYP2C9 (unknown origin) by fluorescence-based assay
50046338	4	ChEMBL_1508733 (CHEMBL3603072)	Inhibition of CYP2C19 (unknown origin) by fluorescence-based assay
50046338	5	ChEMBL_1508734 (CHEMBL3603073)	Inhibition of human ERG channel by Rb efflux assay
50046339	1	ChEMBL_1508748 (CHEMBL3603087)	Inhibition of recombinant human COX-2 assessed as reduction of prostaglandin-G2 to prostaglandin-H2 and oxidation of 10-acetyl-3,7-dihydroxyphenoxazine to resorufin after 5 mins by fluorescence based assay
50046339	2	ChEMBL_1508747 (CHEMBL3603086)	Inhibition of ovine COX-1 assessed as reduction of prostaglandin-G2 to prostaglandin-H2 and oxidation of 10-acetyl-3,7-dihydroxyphenoxazine to resorufin after 5 mins by fluorescence based assay
50046340	1	ChEMBL_1508762 (CHEMBL3603101)	Inhibition of human His6-tagged SIRT3 using H2N-HK-(Nepsilon-acetyl-lysine)-LM-COOH as substrate after 8 mins by HPLC analysis
50046340	2	ChEMBL_1508761 (CHEMBL3603100)	Inhibition of human His6-tagged SIRT2 using H2N-HK-(Nepsilon-acetyl-lysine)-LM-COOH as substrate after 10 mins by HPLC analysis
50020210	1	ChEMBL_444271 (CHEMBL894512)	Inhibition of liver glycogen phosphorylase B
50020211	1	ChEMBL_459041 (CHEMBL925133)	Inhibition of JNK3
50025181	2	ChEMBL_530431 (CHEMBL972196)	Inhibition of FAAH mediated [14C]anandamide hydrolysis in rat brain after 30 mins
50025181	1	ChEMBL_530430 (CHEMBL972195)	Inhibition of human recombinant DAGLalpha mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in COS cells after 20 mins
50020213	4	ChEMBL_444276 (CHEMBL894516)	Binding affinity to human cloned adrenergic alpha-1A receptor
50020213	3	ChEMBL_444277 (CHEMBL894517)	Binding affinity to human cloned adrenergic alpha-1B receptor
50020213	2	ChEMBL_444278 (CHEMBL894518)	Binding affinity to human cloned adrenergic Alpha-1D receptor
50020213	1	ChEMBL_444279 (CHEMBL894519)	Binding affinity to human dopamine D2 receptor
50020217	2	ChEMBL_434965 (CHEMBL919366)	Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells
50020217	5	ChEMBL_434966 (CHEMBL919367)	Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells
50046340	3	ChEMBL_1508760 (CHEMBL3603099)	Inhibition of human His6 or GST-tagged SIRT1 using H2N-HK-(Nepsilon-acetyl-lysine)-LM-COOH as substrate after 10 mins by HPLC analysis
50020217	6	ChEMBL_434971 (CHEMBL919372)	Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation
50046340	4	ChEMBL_1508767 (CHEMBL3603106)	Inhibition of human SIRT5 using CH3CONH-AR-(Nepsilon-succinyl-lysine)-ST-CONH2 as substrate after 5 mins by HPLC analysis
50046340	5	ChEMBL_1508768 (CHEMBL3603107)	Inhibition of human SIRT6 using H2N-EALPK-(Nepsilon-myristoyl-lysine)-TGGPQ-CONH2 as substrate after 12 mins by HPLC analysis
50046341	1	ChEMBL_1508769 (CHEMBL3603108)	Inhibition of jack bean Urease assessed as ammonia production after 15 mins by indophenol method
50046342	1	ChEMBL_1508832 (CHEMBL3603304)	Agonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in Xenopus oocytes assessed as induction of currents treated for 3 to 4 secs followed by compound washout for 4 mins by two-electrode voltage-clamp electrophysiology assay
50046342	2	ChEMBL_1508833 (CHEMBL3603305)	Antagonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced currents preincubated for 10 mins followed by nicotine induction by two-electrode voltage-clamp electrophysiology assay
50046342	3	ChEMBL_1508835 (CHEMBL3603384)	Partial agonist activity at rat alpha-7 nicotinic acetylcholine receptor expressed in Xenopus oocytes assessed as induction of currents
50046342	4	ChEMBL_1508836 (CHEMBL3603385)	Antagonist activity at human alpha-7 nicotinic acetylcholine receptor expressed in rat GH3 cells assessed as inhibition of epibatidine-induced Ca2+ influx preincubated for 5 mins followed by epibatidine induction measured for 3 mins by fluorescence assay
50046343	1	ChEMBL_1508842 (CHEMBL3603391)	Inhibition of PI3Kalpha (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus luminescence assay
50046343	2	ChEMBL_1508843 (CHEMBL3603392)	Inhibition of PI3Kbeta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus luminescence assay
50020218	4	ChEMBL_435004 (CHEMBL920255)	Displacement of [3H]AMPA from rat recombinant GluR3 expressed in Sf9 cells
50020218	2	ChEMBL_435002 (CHEMBL920803)	Displacement of [3H]AMPA from rat recombinant GluR1 expressed in Sf9 cells
50020218	3	ChEMBL_435005 (CHEMBL920256)	Displacement of [3H]AMPA from rat recombinant GluR4 expressed in Sf9 cells
50020218	5	ChEMBL_435006 (CHEMBL920257)	Displacement of [3H]SYM 2081 from rat recombinant GluR5 expressed in Sf9 cells
50020218	6	ChEMBL_435007 (CHEMBL920258)	Displacement of [3H]KA from rat recombinant GluR6 expressed in Sf9 cells
50020218	1	ChEMBL_435003 (CHEMBL920804)	Displacement of [3H]AMPA from rat recombinant GluR2 expressed in Sf9 cells
50025192	1	ChEMBL_530438 (CHEMBL973102)	Binding affinity to ERbeta
50020227	2	ChEMBL_455592 (CHEMBL886372)	Inhibition of JNK3
50020227	5	ChEMBL_455594 (CHEMBL886374)	Inhibition of cJun translocation in IL-1-beta-stimulated A549 cells
50020227	1	ChEMBL_455593 (CHEMBL886373)	Inhibition of CDK2 by IMAP technology
50020227	3	ChEMBL_455591 (CHEMBL886371)	Inhibition of JNK2
50020227	4	ChEMBL_455590 (CHEMBL886370)	Inhibition of JNK1
50020229	1	ChEMBL_455596 (CHEMBL886376)	Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA
50020229	2	ChEMBL_455595 (CHEMBL886375)	Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells by SPA
50020232	2	ChEMBL_436353 (CHEMBL905753)	Inhibition of partially purified human 5-LO expressed in Escherichia coli
50020232	1	ChEMBL_436352 (CHEMBL905752)	Inhibition of 5-LO activity in ionophore A23187 and arachidonic-stimulated human intact PMNL
50020233	2	ChEMBL_436363 (CHEMBL904671)	Antagonist activity against human CCR2 receptor in human monocytes assessed as inhibition of chemotaxis
50020233	4	ChEMBL_436358 (CHEMBL905758)	Displacement of [125]hMCP1 from human CCR2 receptor expressed in human monocytes
50020233	3	ChEMBL_436362 (CHEMBL905762)	Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced calcium flux in human monocytes
50020233	1	ChEMBL_436364 (CHEMBL904672)	Displacement of MIP1alpha from CCR5 receptor
50020233	5	ChEMBL_436360 (CHEMBL905760)	Displacement of [125]hMCP1 from mouse CCR2 receptor expressed in CHO cells
50020235	1	ChEMBL_438712 (CHEMBL889046)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells
50020236	2	ChEMBL_438715 (CHEMBL889049)	Inhibition of thrombin
50020236	1	ChEMBL_438716 (CHEMBL889050)	Inhibition of uPA
50020236	3	ChEMBL_438714 (CHEMBL889048)	Inhibition of factor 10a
50020240	1	ChEMBL_455617 (CHEMBL886398)	Binding affinity to CB1 receptor
50020243	1	ChEMBL_455637 (CHEMBL903635)	Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium influx
50020243	2	ChEMBL_455638 (CHEMBL903636)	Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium influx
50020250	6	ChEMBL_436384 (CHEMBL904692)	Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells
50020250	5	ChEMBL_436385 (CHEMBL904693)	Displacement of [3H]ZM-241385 from human A2A receptor expressed in HeLa cells
50020250	2	ChEMBL_436387 (CHEMBL904695)	Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells
50020250	1	ChEMBL_436390 (CHEMBL904698)	Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells
50020250	3	ChEMBL_436392 (CHEMBL904700)	Activity at human A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA
50020250	4	ChEMBL_436393 (CHEMBL904701)	Activity at mouse A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA
50020250	8	ChEMBL_436396 (CHEMBL904704)	Inhibition of NECA-induced IL6 production in Swiss mouse fibroblasts after 24 hrs by ELISA
50020255	1	ChEMBL_436426 (CHEMBL904734)	Inhibition of EGFR tyrosine kinase expressed in A431 cells
50046343	3	ChEMBL_1508844 (CHEMBL3603393)	Inhibition of PI3Kgamma (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus luminescence assay
50046343	4	ChEMBL_1508845 (CHEMBL3603394)	Inhibition of PI3Kdelta (unknown origin) pre-incubated for 20 mins before phosphatidylinositol 4, 5-bisphosphate substrate addition by kinase-glo plus luminescence assay
50020260	1	ChEMBL_447195 (CHEMBL897494)	Inhibition of Et-PKG
50046343	5	ChEMBL_1508846 (CHEMBL3603395)	Inhibition of PIP5K1C (unknown origin) using D-myo-phosphatidylinositol 4-phosphate substrate and ATP by ADP-Glo kinase Assay
50046343	6	ChEMBL_1508841 (CHEMBL3603390)	Inhibition of N-terminal GST-tagged human full length recombinant PI4K3beta expressed in Sf9 cells using D-myo-phosphatidylinositol substrate and ATP incubated for 45 mins by ADP-Glo kinase Assay
50046343	7	ChEMBL_1508840 (CHEMBL3603389)	Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 mins by ADP-Glo kinase Assay
50020262	7	ChEMBL_436448 (CHEMBL904754)	Agonist activity at human recombinant CB2 receptor expressed in Saccharomyces cerevisiae cells
50020262	1	ChEMBL_436456 (CHEMBL904762)	Inhibition of human CYP3A4
50020262	4	ChEMBL_436455 (CHEMBL904761)	Inhibition of human CYP2D6
50020262	6	ChEMBL_436453 (CHEMBL904759)	Inhibition of human CYP2C9
50020262	3	ChEMBL_436454 (CHEMBL904760)	Inhibition of human CYP2C19
50020262	2	ChEMBL_436457 (CHEMBL904763)	Agonist activity at rat CB2 receptor
50020262	5	ChEMBL_436452 (CHEMBL904758)	Inhibition of human CYP1A2
50046344	1	ChEMBL_1508877 (CHEMBL3602027)	Inhibition of CYP3A4 (unknown origin)
50046344	2	ChEMBL_1508876 (CHEMBL3602026)	Inhibition of CYP2D6 (unknown origin)
50046344	3	ChEMBL_1508875 (CHEMBL3602025)	Inhibition of CYP2C9 (unknown origin)
50046344	4	ChEMBL_1508874 (CHEMBL3602024)	Inhibition of CYP2C8 (unknown origin)
50046344	5	ChEMBL_1508873 (CHEMBL3602023)	Inhibition of CYP2C19 (unknown origin)
50046344	6	ChEMBL_1508872 (CHEMBL3602022)	Inhibition of CYP2B6 (unknown origin)
50046344	7	ChEMBL_1508871 (CHEMBL3602021)	Inhibition of CYP1A2 (unknown origin)
50046344	8	ChEMBL_1508866 (CHEMBL3603415)	Displacement of [3H]-PGE2 from human EP3 receptor by liquid scintillation counting analysis
50046344	9	ChEMBL_1508865 (CHEMBL3603414)	Displacement of [3H]-PGE2 from human EP2 receptor by liquid scintillation counting analysis
50046344	10	ChEMBL_1508864 (CHEMBL3603413)	Displacement of [3H]-PGE2 from human EP1 receptor by liquid scintillation counting analysis
50046344	11	ChEMBL_1508863 (CHEMBL3603412)	Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha reduction preincubated for 30 mins followed by PGE2 addition measured after 24 hrs by ELISA
50046344	12	ChEMBL_1508862 (CHEMBL3603411)	Antagonist activity at recombinant human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP accumulation by scintillation proximity assay in presence of [125I]-cAMP
50046344	13	ChEMBL_1508861 (CHEMBL3603410)	Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50046345	1	ChEMBL_1508988 (CHEMBL3602368)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate after 10 mins by HPLC method
50046346	1	ChEMBL_1508990 (CHEMBL3602370)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin
50020268	1	ChEMBL_435112 (CHEMBL914259)	Inhibition of COX2 by radioimmunoassay method
50046346	2	ChEMBL_1508992 (CHEMBL3602372)	Agonist activity at GPR41 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin
50046346	3	ChEMBL_1508993 (CHEMBL3602373)	Agonist activity at GPR43 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin
50020270	2	ChEMBL_447203 (CHEMBL897501)	Inhibition of VEGFR1 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay
50020270	3	ChEMBL_447202 (CHEMBL897502)	Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay
50020270	4	ChEMBL_447209 (CHEMBL897508)	Displacement of [32P]ATP from human VEGFR2 after 45 mins
50020271	1	ChEMBL_444508 (CHEMBL894745)	Inhibition of VEGFR2 activity
50020271	2	ChEMBL_444510 (CHEMBL894747)	Inhibition of CDK1 activity
50020274	1	ChEMBL_436505 (CHEMBL904811)	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells
50020274	2	ChEMBL_436507 (CHEMBL904813)	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells
50020280	1	ChEMBL_447237 (CHEMBL897541)	Binding affinity to human BK1 receptor
50020283	1	ChEMBL_438767 (CHEMBL889104)	Displacement of [125I]MCP1 from human CCR2 I40L mutant expressed in CHO cells
50020283	2	ChEMBL_438766 (CHEMBL889103)	Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells
50020283	4	ChEMBL_438768 (CHEMBL889105)	Inhibition of chemotaxis in human MCP1 monocytes
50020283	3	ChEMBL_438769 (CHEMBL889106)	Inhibition of Ca2+ flux in human monocytes
50020284	2	ChEMBL_438781 (CHEMBL889119)	Displacement of [3H]estradiol from human recombinant ERbeta
50020284	1	ChEMBL_438780 (CHEMBL889118)	Displacement of [3H]estradiol from human recombinant ERalpha
50020285	2	ChEMBL_455655 (CHEMBL886438)	Inhibition of human ERalpha
50020285	1	ChEMBL_455656 (CHEMBL886439)	Inhibition of human ERbeta
50046346	4	ChEMBL_1508994 (CHEMBL3602374)	Agonist activity at GPR120 (unknown origin) expressed in CHO cells by FLIPR calcium flux assay in presence of 0.1% bovine serum albumin
50020286	1	ChEMBL_455667 (CHEMBL886450)	Inhibition of BACE2
50046347	1	ChEMBL_1509068 (CHEMBL3602551)	Inhibition of rat P2X7 receptor
50046347	2	ChEMBL_1509067 (CHEMBL3602550)	Inhibition of human P2X7 receptor
50046347	3	ChEMBL_1509070 (CHEMBL3602553)	Inhibition of guinea pig P2X7 receptor
50046347	4	ChEMBL_1509071 (CHEMBL3602554)	Inhibition of dog P2X7 receptor
50046348	1	ChEMBL_1509073 (CHEMBL3602596)	Inhibition of PI3Kalpha H1047R mutant in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay
50046348	2	ChEMBL_1509072 (CHEMBL3602595)	Inhibition of PI3Kalpha in human HCT116 cells assessed as cell growth inhibition after 24 hrs by MTT assay
50020286	5	ChEMBL_455663 (CHEMBL886446)	Inhibition of renin
50020286	2	ChEMBL_455664 (CHEMBL886447)	Inhibition of cathepsin D
50020294	1	ChEMBL_459062 (CHEMBL925154)	Inhibition of human recombinant MCD
50020299	1	ChEMBL_455695 (CHEMBL886478)	Activity at RXRalpha by GAL4DNA cotransfection assay
50046349	1	ChEMBL_1509093 (CHEMBL3602616)	Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting
50025223	1	ChEMBL_554477 (CHEMBL956411)	Inhibition of Plasmodium falciparum recombinant FabI
50020304	6	ChEMBL_436583 (CHEMBL904891)	Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding
50020304	4	ChEMBL_436575 (CHEMBL904883)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane
50020304	7	ChEMBL_436583 (CHEMBL904891)	Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding
50046349	2	ChEMBL_1509101 (CHEMBL3602624)	Binding affinity to rat MCH-R1
50046349	3	ChEMBL_1509099 (CHEMBL3602622)	Binding affinity to human MCH-R1 expressed in CHO/Galpha16 cells
50046349	4	ChEMBL_1509182 (CHEMBL3602779)	Inhibition of human ERG by patch clamp assay
50046349	5	ChEMBL_1509176 (CHEMBL3602773)	Inhibition of CYP2D6 (unknown origin)
50046349	6	ChEMBL_1509175 (CHEMBL3602772)	Inhibition of CYP2C19 (unknown origin)
50046349	7	ChEMBL_1509174 (CHEMBL3602771)	Inhibition of CYP2C9 (unknown origin)
50046349	8	ChEMBL_1509173 (CHEMBL3602770)	Inhibition of CYP2C8 (unknown origin)
50046349	9	ChEMBL_1509172 (CHEMBL3602769)	Inhibition of CYP3A4 (unknown origin)
50046350	1	ChEMBL_1509203 (CHEMBL3602836)	Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50046350	2	ChEMBL_1509206 (CHEMBL3602839)	Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50046350	3	ChEMBL_1509205 (CHEMBL3602838)	Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50020308	12	ChEMBL_461169 (CHEMBL945114)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by FLIPR assay
50046350	4	ChEMBL_1509204 (CHEMBL3602837)	Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50020308	3	ChEMBL_461162 (CHEMBL945107)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay
50020308	10	ChEMBL_461158 (CHEMBL944181)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by aequorin based assay
50046351	1	ChEMBL_1509212 (CHEMBL3602845)	Inhibition of PI3Kalpha (unknown origin) after 60 mins by HTRF assay
50020313	2	ChEMBL_461202 (CHEMBL926141)	Inhibition of inactivated human Nav1.2 sodium channel
50020313	7	ChEMBL_461200 (CHEMBL926139)	Binding affinity to Nav1.8 sodium channel
50020313	4	ChEMBL_461204 (CHEMBL926143)	Inhibition of inactivated human Nav1.5 sodium channel
50020313	6	ChEMBL_461203 (CHEMBL926142)	Inhibition of inactivated human Nav1.3 sodium channel
50020313	3	ChEMBL_461201 (CHEMBL926140)	Inhibition of inactivated human Nav1.8 sodium channel
50020314	2	ChEMBL_436618 (CHEMBL904928)	Inhibition of SHP2 PTP by fluorescence spectroscopy
50020314	1	ChEMBL_436619 (CHEMBL904929)	Inhibition of CD45 PTP by fluorescence spectrometry
50046352	1	ChEMBL_1509288 (CHEMBL3603016)	Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate accumulation by IP-one HTRF assay
50046353	1	ChEMBL_1509295 (CHEMBL3603023)	Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay
50046353	2	ChEMBL_1509294 (CHEMBL3603022)	Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay
50020319	1	ChEMBL_455725 (CHEMBL887724)	Activity at RXRalpha by GAL4DNA cotransfection assay
50020320	1	ChEMBL_447296 (CHEMBL896329)	Inhibition of steroid 5-alpha reductase type 2 expressed in HEK 293 cells
50020320	2	ChEMBL_447295 (CHEMBL896328)	Inhibition of steroid 5-alpha reductase type 1 expressed in HEK 293 cells
50020321	1	ChEMBL_447297 (CHEMBL896330)	Displacement of [3H]haTRAP from PAR1
50046354	1	ChEMBL_1509303 (CHEMBL3603116)	Inhibition of 5HT2A receptor (unknown origin)
50046354	2	ChEMBL_1509304 (CHEMBL3603117)	Inhibition of CYP2D6 receptor (unknown origin)
50046354	3	ChEMBL_1509310 (CHEMBL3603123)	Antagonist activity against rat MCHR1
50046354	4	ChEMBL_1509302 (CHEMBL3603115)	Inhibition of muscarinic M1 receptor (unknown origin)
50046354	5	ChEMBL_1509301 (CHEMBL3603114)	Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method
50025226	1	ChEMBL_506147 (CHEMBL938726)	Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol
50025226	2	ChEMBL_506148 (CHEMBL938727)	Inhibition of human wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol
50020329	1	ChEMBL_436673 (CHEMBL904982)	Displacement of [3H]CP-55940 from CB2 receptor expressed in HEK cells
50020332	4	ChEMBL_436687 (CHEMBL904996)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50020332	1	ChEMBL_436682 (CHEMBL904991)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane
50020332	2	ChEMBL_436683 (CHEMBL904992)	Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane
50020332	5	ChEMBL_436688 (CHEMBL904997)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50020332	3	ChEMBL_436685 (CHEMBL904994)	Displacement of [3H]U-69593 from kappa opioid receptor in Hartley guinea pig cerebellum P2 synaptosome membrane
50046355	1	ChEMBL_1509399 (CHEMBL3603342)	Binding affinity to human serum albumin with excitation at 285 nm after 30 mins by fluorescence spectrophotometric analysis
50046355	2	ChEMBL_1509403 (CHEMBL3603346)	Binding affinity to human serum albumin with excitation at 285 nm by fluorescence emission spectroscopic analysis
50046355	3	ChEMBL_1509401 (CHEMBL3603344)	Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysis
50046355	4	ChEMBL_1509400 (CHEMBL3603343)	Binding affinity to human serum albumin with excitation at 295 nm after 30 mins by fluorescence spectrophotometric analysis
50046356	1	ChEMBL_1509406 (CHEMBL3603349)	Inhibition of PTP1B (unknown origin)
50046357	1	ChEMBL_1509418 (CHEMBL3603426)	Inhibition of IRAK4-dependent TLR4 signaling in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of LPS-EK-induced TLR4 activation incubated at 37 degC for 1 hr by spectrophotometry
50046357	2	ChEMBL_1509409 (CHEMBL3603417)	Inhibition of human IRAK4 (unknown origin)
50020337	2	ChEMBL_455781 (CHEMBL887787)	Antagonist activity at NMDA NR2B receptor assessed as calcium flux
50020337	1	ChEMBL_455780 (CHEMBL887786)	Binding affinity to NMDA NR2B receptor
50020338	2	ChEMBL_455793 (CHEMBL887799)	Antagonist activity at human recombinant LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activation by luciferase assay
50020339	4	ChEMBL_447331 (CHEMBL896364)	Agonist activity at human PPARdelta expressed in HepG2 cells after 16 hrs by luciferase reporter gene assay
50020339	1	ChEMBL_447328 (CHEMBL896362)	Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay
50020339	3	ChEMBL_447330 (CHEMBL896363)	Displacement of [3H]5-(4-(3-(5-methyl-2-phenyloxazol-4-yl)propanoyl)benzyl)thiazolidine-2,4-dione from human PPARgamma after 2 hrs by SPA assay
50020339	2	ChEMBL_447329 (CHEMBL896361)	Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy)-2-methylbutanoic acid from human PPARalpha after 30 mins by SPA assay
50020342	1	ChEMBL_438821 (CHEMBL889157)	Binding affinity to human histamine H3 receptor
50020342	3	ChEMBL_438820 (CHEMBL887978)	Binding affinity to rat histamine H3 receptor
50020342	4	ChEMBL_438819 (CHEMBL887977)	Inverse agonist activity at human histamine H3 receptor by GTP gammaS assay
50020342	2	ChEMBL_438822 (CHEMBL889158)	Inhibition of hERG at 10 uM
50020349	1	ChEMBL_455801 (CHEMBL887807)	Inhibition of RET in mouse NIH3T3MEN2A cells
50020350	7	ChEMBL_447340 (CHEMBL896374)	Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay
50020350	14	ChEMBL_447339 (CHEMBL896373)	Inhibition of human ITK by DELFIA assay
50020350	15	ChEMBL_447348 (CHEMBL895277)	Inhibition of EGFR
50020350	5	ChEMBL_447341 (CHEMBL896375)	Inhibition of human ITK in presence of 3 uM ATP
50020350	2	ChEMBL_447343 (CHEMBL896377)	Inhibition of human ITK in presence of 100 uM ATP
50020350	6	ChEMBL_447354 (CHEMBL895282)	Inhibition of TXK
50020350	10	ChEMBL_447346 (CHEMBL896380)	Inhibition of BTK
50020350	13	ChEMBL_447344 (CHEMBL896378)	Inhibition of human ITK in presence of 500 uM ATP
50020350	11	ChEMBL_447355 (CHEMBL895283)	Inhibition of VEGFR1
50020350	1	ChEMBL_447350 (CHEMBL895279)	Inhibition of HGFR
50020350	3	ChEMBL_447352 (CHEMBL895281)	Inhibition of LYN
50020350	8	ChEMBL_447353 (CHEMBL896372)	Inhibition of TEC
50020350	16	ChEMBL_447349 (CHEMBL895278)	Inhibition of FGFR3
50020350	4	ChEMBL_447342 (CHEMBL896376)	Inhibition of human ITK in presence of 20 uM ATP
50020350	9	ChEMBL_447347 (CHEMBL895276)	Inhibition of ECK
50020350	12	ChEMBL_447345 (CHEMBL896379)	Inhibition of BMX
50020353	3	ChEMBL_455890 (CHEMBL887893)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane
50020353	4	ChEMBL_455885 (CHEMBL887888)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane
50020353	1	ChEMBL_455896 (CHEMBL886774)	Displacement of [3H]PSB11 from human adenosine A3 receptor
50020353	2	ChEMBL_455891 (CHEMBL887894)	Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells
50020353	5	ChEMBL_455886 (CHEMBL887889)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50046357	3	ChEMBL_1509419 (CHEMBL3603427)	Inhibition of TNFR in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of TNFalpha-induced TNFR activation incubated at 37 degC for 1 hr by spectrophotometry
50020362	5	ChEMBL_455933 (CHEMBL887934)	Displacement of 1,8-ANS from aFABP by fluorescence based-assay
50020362	4	ChEMBL_455935 (CHEMBL887936)	Displacement of 1,8-ANS from eFABP by fluorescence based-assay
50020362	3	ChEMBL_455934 (CHEMBL887935)	Displacement of 1,8-ANS from mFABP by fluorescence based-assay
50020362	2	ChEMBL_455936 (CHEMBL887937)	Displacement of [3H]2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP
50020362	1	ChEMBL_455938 (CHEMBL887939)	Binding affinity to aFABP
50020366	4	ChEMBL_447405 (CHEMBL896429)	Inhibition of DPP4
50020366	2	ChEMBL_447408 (CHEMBL896432)	Inhibition of QPP
50020366	1	ChEMBL_447407 (CHEMBL896431)	Inhibition of DPP9
50046357	4	ChEMBL_1509420 (CHEMBL3603428)	Inhibition of CYP3A4 (unknown origin)
50020366	5	ChEMBL_447406 (CHEMBL896430)	Inhibition of DPP8
50046357	5	ChEMBL_1509421 (CHEMBL3603429)	Inhibition of CYP2D6 (unknown origin)
50046357	6	ChEMBL_1509422 (CHEMBL3603430)	Inhibition of CYP2C9 (unknown origin)
50046358	1	ChEMBL_1509434 (CHEMBL3603442)	Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay
50020375	1	ChEMBL_436796 (CHEMBL904106)	Inhibition of AChE by Ellman method
50046358	2	ChEMBL_1509437 (CHEMBL3603445)	Agonist activity at human alpha1B-adrenergic receptor
50046358	3	ChEMBL_1509438 (CHEMBL3603446)	Agonist activity at human alpha1D-adrenergic receptor
50046358	4	ChEMBL_1509439 (CHEMBL3603447)	Agonist activity at human alpha2A-adrenergic receptor
50046358	5	ChEMBL_1509440 (CHEMBL3603448)	Agonist activity at human alpha2B-adrenergic receptor
50046358	6	ChEMBL_1509441 (CHEMBL3603449)	Agonist activity at human alpha2C-adrenergic receptor
50046358	7	ChEMBL_1509452 (CHEMBL3602061)	Agonist activity at rat beta3-adrenergic receptor
50046358	8	ChEMBL_1509426 (CHEMBL3603434)	Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins
50020377	1	ChEMBL_436826 (CHEMBL905128)	Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane
50046358	9	ChEMBL_1509428 (CHEMBL3603436)	Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins
50046358	10	ChEMBL_1509430 (CHEMBL3603438)	Agonist activity at human beta2-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins
50046359	1	ChEMBL_1509560 (CHEMBL3602307)	Inhibition of human MDM2 by TR-FRET assay
50046359	2	ChEMBL_1509561 (CHEMBL3602308)	Inhibition of dog MDM2 by TR-FRET assay
50020379	1	ChEMBL_456075 (CHEMBL888084)	Inhibition of human HDAC 1
50020384	1	ChEMBL_447433 (CHEMBL896457)	Displacement of [3H]CP-55940 from cloned human CB1 receptor
50020384	2	ChEMBL_447434 (CHEMBL896458)	Displacement of [3H]CP-55940 from cloned human CB2 receptor
50046359	3	ChEMBL_1509562 (CHEMBL3602309)	Inhibition of mouse MDM2 by TR-FRET assay
50020385	2	ChEMBL_447436 (CHEMBL896460)	Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs
50020385	1	ChEMBL_447438 (CHEMBL896461)	Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs
50020390	1	ChEMBL_447440 (CHEMBL895357)	Inhibition of STAT3 dimer DNA binding activity by ELISA after 30 mins
50020392	2	ChEMBL_436848 (CHEMBL905150)	Inhibition of ovine COX2 by enzyme immuno assay
50020392	1	ChEMBL_436847 (CHEMBL905149)	Inhibition of ovine COX1 by enzyme immuno assay
50046359	4	ChEMBL_1509543 (CHEMBL3602290)	Inhibition of human ERG by radioligand binding assay
50046359	5	ChEMBL_1509544 (CHEMBL3602291)	Time dependent inhibition of CYP3A4 in human liver microsomes
50046359	6	ChEMBL_1509591 (CHEMBL3603474)	Inhibition of human MDM4 by TR-FRET assay
50046359	7	ChEMBL_1509592 (CHEMBL3603475)	Inhibition of human MDM2 L33E mutant (14 to 111 residues) by ITC method
50046359	8	ChEMBL_1509643 (CHEMBL3603526)	Inhibition of Bcl2 (unknown origin) assessed as inhibition of Bcl2-Bak interaction by TR-FRET assay
50046359	9	ChEMBL_1509644 (CHEMBL3603527)	Inhibition of Bcl2 (unknown origin) assessed as inhibition of Bcl2-Bad interaction by TR-FRET assay
50046359	10	ChEMBL_1509645 (CHEMBL3603528)	Inhibition of Mcl1 (unknown origin) assessed as inhibition of Mcl1-Bak interaction by TR-FRET assay
50046359	11	ChEMBL_1509646 (CHEMBL3603529)	Inhibition of Mcl1 (unknown origin) assessed as inhibition of Mcl1-Noxa interaction by TR-FRET assay
50046359	12	ChEMBL_1509647 (CHEMBL3603530)	Inhibition of XIAP (unknown origin) assessed as inhibition of XIAP-BIR3 interaction by TR-FRET assay
50046359	13	ChEMBL_1509648 (CHEMBL3603531)	Inhibition of cIAP (unknown origin) assessed as inhibition of cIAP-BIR3 interaction by TR-FRET assay
50046360	1	ChEMBL_1509754 (CHEMBL3603637)	Inhibition of CYP2C9 (unknown origin)
50046361	1	ChEMBL_1509801 (CHEMBL3603684)	Antagonist activity at endothelin A receptor in rat A7r5 cells assessed as inhibition of ET-1-induced increase in cytosolic free Ca2+ level treated 1 min prior to ET-1 addition by fura-2 dye-based spectrofluorometric analysis
50046361	2	ChEMBL_1509802 (CHEMBL3603685)	Antagonist activity at endothelin A receptor in Wistar rat thoracic aorta strips assessed as inhibition of ET1-induced vasoconstriction preincubated for 5 mins followed by ET1 addition
50046362	1	ChEMBL_1508211 (CHEMBL3603168)	Binding affinity to human CA9
50046362	2	ChEMBL_1508212 (CHEMBL3603169)	Binding affinity to human CA2
50046362	3	ChEMBL_1508206 (CHEMBL3603163)	Inhibition of human recombinant CA12 expressed in Escherichia coli by stopped flow CO2 hydration assay
50046362	4	ChEMBL_1508205 (CHEMBL3603162)	Inhibition of human recombinant CA9 expressed in Escherichia coli by stopped flow CO2 hydration assay
50046362	5	ChEMBL_1508204 (CHEMBL3603161)	Inhibition of human recombinant CA2 expressed in Escherichia coli by stopped flow CO2 hydration assay
50020397	4	ChEMBL_447444 (CHEMBL896467)	Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy)-2-methylbutanoic acid from human PPARalpha after 30 mins by SPA
50020397	1	ChEMBL_447445 (CHEMBL896468)	Displacement of [3H]5-(4-(3-(5-methyl-2-phenyloxazol-4-yl)propanoyl)benzyl)thiazolidine-2,4-dione from human PPARgamma after 2 hrs by SPA
50020397	2	ChEMBL_447446 (CHEMBL896469)	Agonist activity at human PPARdelta in HepG2 cells by GAL4-luciferase reporter gene assay
50020397	3	ChEMBL_447443 (CHEMBL896466)	Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA
50020403	3	ChEMBL_447458 (CHEMBL896481)	Displacement of [3H]U-69593 from cloned human kappa opioid receptor
50020403	2	ChEMBL_447457 (CHEMBL896480)	Displacement of [3H]DAMGO from cloned human mu opioid receptor
50046362	6	ChEMBL_1508203 (CHEMBL3603160)	Inhibition of human recombinant CA1 expressed in Escherichia coli by stopped flow CO2 hydration assay
50046363	1	ChEMBL_1508284 (CHEMBL3603378)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50046363	2	ChEMBL_1508311 (CHEMBL3602094)	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50046363	3	ChEMBL_1508312 (CHEMBL3602095)	Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50046363	4	ChEMBL_1508318 (CHEMBL3602101)	Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometric analysis
50046364	1	ChEMBL_1508353 (CHEMBL3602201)	Inhibition of PI3Kalpha (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay
50046364	2	ChEMBL_1508354 (CHEMBL3602202)	Inhibition of PI3Kbeta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay
50046364	3	ChEMBL_1508407 (CHEMBL3602345)	Inhibition of PI3Kgamma (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay
50020408	7	ChEMBL_447905 (CHEMBL898155)	Inhibition of MMP2
50020408	6	ChEMBL_447904 (CHEMBL898154)	Inhibition of MMP1
50046364	4	ChEMBL_1508408 (CHEMBL3602346)	Inhibition of PI3Kdelta (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay
50020408	4	ChEMBL_447906 (CHEMBL898156)	Inhibition of MMP3
50046364	5	ChEMBL_1508409 (CHEMBL3602347)	Inhibition of mTOR (unknown origin) assessed as reduction of ATP level after 40 mins by luciferase based luminescence assay
50046365	1	ChEMBL_1508419 (CHEMBL3602393)	Inhibition of STS isolated from human JEG-3 cell homogenates using [3H]-E1S as substrate
50046365	2	ChEMBL_1508418 (CHEMBL3602392)	Reversible inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay
50020408	1	ChEMBL_447910 (CHEMBL898160)	Inhibition of MMP13
50020408	3	ChEMBL_447909 (CHEMBL898159)	Inhibition of MMP8
50046365	3	ChEMBL_1508417 (CHEMBL3602391)	Inhibition of STS (unknown origin) using 4-MUS as substrate measured over 10 mins by fluorescence assay
50020413	1	ChEMBL_456127 (CHEMBL887035)	Binding affinity to human CB1 receptor
50020413	2	ChEMBL_456142 (CHEMBL888152)	Binding affinity to rat CB1 receptor
50020416	1	ChEMBL_447477 (CHEMBL896500)	Inhibition of PTP1B
50046366	4	ChEMBL_1508564 (CHEMBL3602647)	Inhibition of recombinant His6-tagged GST-fused human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs
50046323	3	ChEMBL_1507794 (CHEMBL3598551)	Potentiator activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in iodine influx measured after 30 mins incubation following rescue of F508del-CFTR by low temperature for 24 hrs by HS-YFP assay
50020419	3	ChEMBL_438892 (CHEMBL889235)	Binding affinity to human cloned adrenergic alpha-1a receptor
50020419	1	ChEMBL_438894 (CHEMBL889237)	Binding affinity to human cloned adrenergic alpha-1d receptor
50020419	2	ChEMBL_438895 (CHEMBL889238)	Binding affinity for dopamine D2 receptor
50020419	4	ChEMBL_438893 (CHEMBL889236)	Binding affinity to human cloned adrenergic alpha-1b receptor
50020420	1	ChEMBL_456155 (CHEMBL888166)	Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 cells at 10 uM
50020420	2	ChEMBL_456154 (CHEMBL888165)	Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 cells
50046367	1	ChEMBL_1507811 (CHEMBL3598675)	Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry
50046367	2	ChEMBL_1507810 (CHEMBL3598674)	Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry
50046367	3	ChEMBL_1507812 (CHEMBL3598676)	Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry
50046367	4	ChEMBL_1507873 (CHEMBL3598884)	Inhibition of human acetylcholinesterase incubated for 60 mins using ATChI substrate by DTNB dye based UV-visible spectrophotometry
50046368	1	ChEMBL_1507894 (CHEMBL3598905)	Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced Ca2+ flux preincubated for 5 mins followed by orexin-A induction measured 1 sec interval for 5 mins by FLIPR assay
50046368	2	ChEMBL_1507893 (CHEMBL3598904)	Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced Ca2+ flux preincubated for 5 mins followed by orexin-A induction measured 1 sec interval for 5 mins by FLIPR assay
50046368	3	ChEMBL_1507884 (CHEMBL3598895)	Antagonist activity at orexin-2 receptor (unknown origin)
50046368	4	ChEMBL_1507883 (CHEMBL3598894)	Antagonist activity at orexin-1 receptor (unknown origin)
50046368	5	ChEMBL_1507895 (CHEMBL3598906)	Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for 120 mins followed by orexin-A induction measured every 1 sec by FLIPR assay
50046368	6	ChEMBL_1507896 (CHEMBL3598907)	Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for 120 mins followed by orexin-A induction measured every 1 sec by FLIPR assay
50020426	2	ChEMBL_459064 (CHEMBL925156)	Binding affinity to CB2 receptor
50020426	1	ChEMBL_459063 (CHEMBL925155)	Binding affinity to CB1 receptor
50020427	4	ChEMBL_456160 (CHEMBL888171)	Displacement of [3H]CP-55940 from mouse CB1 receptor
50020427	1	ChEMBL_456157 (CHEMBL888169)	Displacement of [3H]CP-55940 from human CB2 receptor
50020427	5	ChEMBL_456161 (CHEMBL888167)	Agonist activity at human CB2 in CHO cells assessed as inhibition of cAMP production
50020427	6	ChEMBL_456159 (CHEMBL888168)	Displacement of [3H]CP-55940 from mouse CB2 receptor
50020427	3	ChEMBL_456162 (CHEMBL888172)	Agonist activity at human CB1 in CHO cells assessed as inhibition of cAMP production
50020427	2	ChEMBL_456158 (CHEMBL888170)	Displacement of [3H]CP-55940 from human CB1 receptor
50020428	3	ChEMBL_447479 (CHEMBL896502)	Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR
50020428	1	ChEMBL_447480 (CHEMBL896503)	Inhibition of GnRHR in rat pituitary cells assessed as inhibition of GnRH-stimulated LH release
50020428	2	ChEMBL_447478 (CHEMBL896501)	Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]inositol phosphate hydrolysis
50020429	4	ChEMBL_436976 (CHEMBL885992)	Inhibition of rat brain MAOB
50020429	2	ChEMBL_436978 (CHEMBL885994)	Inhibition of human recombinant MAOB expressed in Pichia pastoris
50020429	3	ChEMBL_436975 (CHEMBL885991)	Inhibition of rat brain MAOA
50020429	1	ChEMBL_436977 (CHEMBL885993)	Inhibition of human recombinant MAOA expressed in Pichia pastoris
50046368	7	ChEMBL_1507897 (CHEMBL3598908)	Antagonist activity at human orexin-1 receptor expressed in CFiQ cells assessed as inhibition of orexin-A-induced Ca2+ release preincubated for 15 to 30 mins followed by orexin-A induction by FLIPR assay
50046368	8	ChEMBL_1507898 (CHEMBL3598909)	Antagonist activity at human orexin-2 receptor expressed in human PFSK-1 cells assessed as inhibition of orexin-B-induced Ca2+ release preincubated for 15 to 30 mins followed by orexin-B induction by FLIPR assay
50046368	9	ChEMBL_1507879 (CHEMBL3598890)	Binding affinity to recombinant human orexin-2 receptor
50046368	10	ChEMBL_1507880 (CHEMBL3598891)	Binding affinity to recombinant human orexin-1 receptor
50046368	11	ChEMBL_1507885 (CHEMBL3598896)	Antagonist activity at recombinant orexin-1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of orexin-A-induced Ca2+ flux preincubated for 120 mins followed by orexin-A induction measured every 1 sec by FLIPR assay
50046368	12	ChEMBL_1507886 (CHEMBL3598897)	Antagonist activity at recombinant orexin-2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of orexin-A-induced Ca2+ flux preincubated for 120 mins followed by orexin-A induction measured every 1 sec by FLIPR assay
50020434	1	ChEMBL_447486 (CHEMBL896510)	Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay
50046368	13	ChEMBL_1507889 (CHEMBL3598900)	Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1[3H]-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human orexin-2 receptor expressed in CHO cell membranes after 3 hrs by scintillation counting analysis
50020435	20	ChEMBL_447508 (CHEMBL896531)	Inhibition of histamine H1 receptor
50020435	6	ChEMBL_447495 (CHEMBL896518)	Displacement of human recombinant [125I]IL8 from CXCR1 receptor expressed in CHO cells
50020435	1	ChEMBL_447494 (CHEMBL896517)	Antagonist activity at CXCR2 receptor expressed in CHOK1 cells assessed as human IL8-induced calcium mobilization by FLIPR
50046368	14	ChEMBL_1507890 (CHEMBL3598901)	Binding affinity to human orexin-1 receptor expressed in CHO cell membranes after 3 hrs by radioligand displacement assay
50020435	13	ChEMBL_447518 (CHEMBL895417)	Inhibition of human CYP2C9
50020435	23	ChEMBL_447505 (CHEMBL896528)	Inhibition of 5HT6 receptor
50020435	2	ChEMBL_447500 (CHEMBL896523)	Inhibition of P38alpha
50020435	11	ChEMBL_447519 (CHEMBL895418)	Inhibition of human CYP2D6
50020435	8	ChEMBL_447511 (CHEMBL896534)	Inhibition of dopamine D3 receptor
50020435	12	ChEMBL_447517 (CHEMBL895416)	Inhibition of human CYP1A2
50020435	18	ChEMBL_447520 (CHEMBL895419)	Inhibition of human CYP3A4
50020435	4	ChEMBL_447499 (CHEMBL896522)	Inhibition of PAI1
50020435	3	ChEMBL_447501 (CHEMBL896524)	Inhibition of histamine H3 receptor
50046368	15	ChEMBL_1507899 (CHEMBL3598910)	Displacement of [3H]-(l-(5-(2-fluoro-phenyl)-2-methyl-thiazol-4-yl)-l-((S)-2-(5-phenyl-(l,3,4)oxadiazol-2-ylmethyl)-pyrrolidin-l-yl)-methanone from human orexin-1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50020435	9	ChEMBL_447512 (CHEMBL896535)	Inhibition of 5HT4A receptor
50046368	16	ChEMBL_1507900 (CHEMBL3598993)	Displacement of [3H]EMPA from human orexin-2 receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis
50020435	16	ChEMBL_447513 (CHEMBL896536)	Inhibition of 5HT2C receptor
50020435	24	ChEMBL_447504 (CHEMBL896527)	Inhibition of 5HT1D receptor
50020435	5	ChEMBL_447498 (CHEMBL896521)	Inhibition of P2Y1 receptor
50020435	26	ChEMBL_447502 (CHEMBL896525)	Inhibition of 5HT1A receptor
50020435	14	ChEMBL_447515 (CHEMBL896538)	Inhibition of adenosine A2a receptor
50020435	19	ChEMBL_447509 (CHEMBL896532)	Inhibition of adrenergic beta-1 receptor
50020435	22	ChEMBL_447506 (CHEMBL896529)	Inhibition of 5HT7 receptor
50020435	10	ChEMBL_447510 (CHEMBL896533)	Inhibition of dopamine D2 receptor
50020435	25	ChEMBL_447503 (CHEMBL896526)	Inhibition of 5HT1B receptor
50020436	2	ChEMBL_456169 (CHEMBL888179)	Agonist activity at human PPARalpha receptor expressed in HEK293 cells by GAL4 transactivation assay
50020436	3	ChEMBL_456172 (CHEMBL888182)	Agonist activity at human PPARdelta receptor expressed in HEK293 cells by GAL4 transactivation assay
50020436	1	ChEMBL_456174 (CHEMBL888184)	Agonist activity at human PPARgamma receptor expressed in HEK293 cells by GAL4 transactivation assay
50025278	1	ChEMBL_490039 (CHEMBL987377)	Inhibition of Staphylococcus aureus CCM 885 recombinant thymidine kinase
50020444	2	ChEMBL_447529 (CHEMBL896543)	Binding affinity to mouse CB2 receptor
50020444	3	ChEMBL_447525 (CHEMBL895424)	Binding affinity to human CB2 receptor
50020444	4	ChEMBL_447526 (CHEMBL895425)	Binding affinity to human CB1 receptor
50020444	1	ChEMBL_447530 (CHEMBL896544)	Binding affinity to mouse CB1 receptor
50020445	8	ChEMBL_456181 (CHEMBL888191)	Binding affinity at prostanoid TP receptor
50020445	5	ChEMBL_456179 (CHEMBL888189)	Binding affinity at prostanoid DP receptor
50020445	1	ChEMBL_456184 (CHEMBL888194)	Inhibition of CYP2D6
50020445	7	ChEMBL_456180 (CHEMBL888190)	Binding affinity at prostanoid EP2 receptor
50020445	9	ChEMBL_456183 (CHEMBL888193)	Inhibition of CYP3A4
50020445	3	ChEMBL_456186 (CHEMBL888196)	Inhibition of CYP2C19
50020445	2	ChEMBL_456185 (CHEMBL888195)	Inhibition of CYP1A2
50046369	1	ChEMBL_1506699 (CHEMBL3598715)	Inhibition of human P-gp expressed in mouse T-cell lymphoma assessed as potentiation of daunorubicin-induced cellular toxicity by measuring daunorubicin IC50 at 10 uM by MTT assay (Rvb = 8.26 +/- 0.62 uM)
50046369	2	ChEMBL_1506700 (CHEMBL3598716)	Inhibition of human P-gp expressed in mouse T-cell lymphoma assessed as potentiation of daunorubicin-induced cellular toxicity by measuring daunorubicin IC50 at 5 uM by MTT assay (Rvb = 8.26 +/- 0.62 uM)
50046370	1	ChEMBL_1506711 (CHEMBL3598727)	Inhibition of [35S]MK499 binding to human ERG channel
50020445	4	ChEMBL_456187 (CHEMBL888197)	Inhibition of CYP2C9
50020446	1	ChEMBL_456206 (CHEMBL888216)	Inhibition of AP1-mediated gene transcription in HepG2 cells by luciferase reporter gene assay
50020447	4	ChEMBL_456209 (CHEMBL888219)	Inhibition of MMP2
50020447	3	ChEMBL_456208 (CHEMBL888218)	Inhibition of TACE by FRET assay
50020447	1	ChEMBL_456210 (CHEMBL888220)	Inhibition of MMP13
50046370	2	ChEMBL_1506710 (CHEMBL3598726)	Inhibition of human adenosine A1 receptor
50046370	3	ChEMBL_1506709 (CHEMBL3598725)	Inhibition of human adenosine A2A receptor
50046371	1	ChEMBL_1506713 (CHEMBL3598804)	Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-activator peptide interaction using 10 nM GST-RORgamma LBD by FRET-based assay
50025283	3	ChEMBL_530826 (CHEMBL969381)	Inhibition of human thymidylate synthase
50025283	4	ChEMBL_530829 (CHEMBL969384)	Inhibition of human dihydrofolate reductase
50025283	1	ChEMBL_530825 (CHEMBL969380)	Inhibition of Escherichia coli thymidylate synthase
50025283	2	ChEMBL_530824 (CHEMBL969379)	Inhibition of Lactobacillus casei thymidylate synthase
50046371	2	ChEMBL_1506714 (CHEMBL3598805)	Inverse agonist activity at Gal4 DNA binding domain-tagged human RORgammat expressed in HEK293T cells assessed as effect on receptor-mediated transcriptional activity by luciferase reporter gene assay
50020454	2	ChEMBL_456228 (CHEMBL888238)	Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells
50020454	1	ChEMBL_456229 (CHEMBL888239)	Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTP-gamma-S accumulation
50020455	1	ChEMBL_456242 (CHEMBL888252)	Antagonist activity at human mGluR5 receptor expressed in 132N1 cells assessed as inhibition of glutamate-induced calcium flux by FLIPR assay
50046371	3	ChEMBL_1506715 (CHEMBL3598806)	Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-activator peptide interaction using 2.5 nM GST-RORgamma LBD by FRET-based assay
50046371	4	ChEMBL_1506790 (CHEMBL3598949)	Inverse agonist activity at Gal4 DNA binding domain-tagged human RORalpha expressed in HEK293T cells assessed as effect on receptor-mediated transcriptional activity by luciferase reporter gene assay
50046371	5	ChEMBL_1506791 (CHEMBL3598950)	Inverse agonist activity at Gal4 DNA binding domain-tagged human RORbeta expressed in HEK293T cells assessed as effect on receptor-mediated transcriptional activity by luciferase reporter gene assay
50020458	4	ChEMBL_456269 (CHEMBL888279)	Inhibition of RET
50020458	2	ChEMBL_456265 (CHEMBL888275)	Inhibition of CDK1
50020458	3	ChEMBL_456267 (CHEMBL888277)	Inhibition of HER2
50020458	1	ChEMBL_456266 (CHEMBL888276)	Inhibition of VEGFR2
50020459	1	ChEMBL_456282 (CHEMBL888296)	Displacement of [125I]eotaxin from CCR3 receptor in human eosinophils
50020459	3	ChEMBL_456284 (CHEMBL888294)	Antagonist activity at human CCR3 receptor assessed as inhibition of eotaxin-induced eosinophil shape change
50020459	2	ChEMBL_456283 (CHEMBL888295)	Antagonist activity at human CCR3 receptor assessed as inhibition of calcium flux
50020463	3	ChEMBL_437001 (CHEMBL886017)	Effect on PPARgamma transactivation activity in HEK293 cells
50020463	2	ChEMBL_437000 (CHEMBL886016)	Effect on PPARdelta transactivation activity in HEK293 cells
50020463	1	ChEMBL_436999 (CHEMBL886015)	Effect on PPARalpha transactivation activity in HEK293 cells
50020465	2	ChEMBL_456291 (CHEMBL888301)	Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells
50020465	1	ChEMBL_456293 (CHEMBL888304)	Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells
50020466	1	ChEMBL_447562 (CHEMBL896576)	Displacement of [125I]motilin from human motilin receptor expressed in CHO cells
50020466	2	ChEMBL_447563 (CHEMBL896577)	Antagonist activity against human motilin receptor in aequoscreen cells assessed as inhibition of motilin induced calcium release by aequorin assay
50046332	5	ChEMBL_1507033 (CHEMBL3599987)	Inhibition of Saccharomyces cerevisiae carbonic anhydrase by CO2 hydration reaction based colorimetric stopped-flow method
50046372	1	ChEMBL_1507045 (CHEMBL3599999)	Inhibition of recombinant mouse RANKL-induced TRAP activity in mouse RAW264.7 cells using 4-nitrophenyl phosphate as TRAP substrate preincubated for 4 days followed by substrate addition measured after 15 mins by ELISA reader analysis
50046373	1	ChEMBL_1507382 (CHEMBL3599183)	Inhibition of human acetylcholinesterase using ATCI/DTNB as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by Ellman method
50046374	1	ChEMBL_1507464 (CHEMBL3599489)	Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50046374	2	ChEMBL_1507463 (CHEMBL3599488)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50046374	3	ChEMBL_1507462 (CHEMBL3599487)	Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis
50025288	1	ChEMBL_508163 (CHEMBL1008221)	Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage
50025288	3	ChEMBL_508164 (CHEMBL1008222)	Inhibition of rat PACE4 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage
50025288	2	ChEMBL_508165 (CHEMBL1008223)	Inhibition of human recombinant PC4 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage
50025288	4	ChEMBL_508167 (CHEMBL1008225)	Inhibition of human recombinant PC7 assessed as fluorescent Pyr-RTKR-AMC substrate cleavage
50020481	1	ChEMBL_439030 (CHEMBL889376)	Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs
50020481	3	ChEMBL_439028 (CHEMBL889374)	Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs
50020481	2	ChEMBL_439027 (CHEMBL889373)	Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr
50020481	4	ChEMBL_439029 (CHEMBL889375)	Displacement of [3H]R-PIA from adenosine A1 receptor in lamb striatum membrane after 1 hr
50020483	4	ChEMBL_439076 (CHEMBL889424)	Inhibition of His-tagged HDAC10 expressed in Sf9 cells by fluorescence-based assay
50020483	2	ChEMBL_439073 (CHEMBL889421)	Inhibition of His-tagged HDAC1 expressed in Sf9 cells by fluorescence-based assay
50020483	1	ChEMBL_439074 (CHEMBL889422)	Inhibition of His-tagged HDAC2 expressed in Sf9 cells by fluorescence-based assay
50020483	3	ChEMBL_439077 (CHEMBL889425)	Inhibition of His-tagged HDAC6 expressed in Sf9 cells by fluorescence-based assay
50020483	5	ChEMBL_439075 (CHEMBL889423)	Inhibition of His-tagged HDAC8 expressed in Sf9 cells by fluorescence-based assay
50020484	2	ChEMBL_439082 (CHEMBL889430)	Inhibition of human CK2 alpha
50020484	1	ChEMBL_439083 (CHEMBL889431)	Inhibition of corn CK2 alpha
50020494	3	ChEMBL_447582 (CHEMBL896595)	Displacement of [3H]nemonapride from rat dopamine D2 receptor
50020494	4	ChEMBL_447583 (CHEMBL896597)	Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor
50020494	1	ChEMBL_447581 (CHEMBL896596)	Displacement of [3H]SCH-23390 from rat dopamine D1 receptor
50020494	2	ChEMBL_447584 (CHEMBL896598)	Displacement of [3H]ketanserin from rat 5HT2A receptor
50046374	4	ChEMBL_1507468 (CHEMBL3599493)	Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in African green monkey COS1 cell membranes after 1.5 hrs by scintillation counting analysis
50046374	5	ChEMBL_1507469 (CHEMBL3599494)	Binding affinity to delta opioid receptor (unknown origin)
50046374	6	ChEMBL_1507470 (CHEMBL3599495)	Binding affinity to kappa opioid receptor (unknown origin)
50046375	1	ChEMBL_1507628 (CHEMBL3600039)	Displacement of [3H]-vesamicol from human VAChT after 24 hrs by by liquid scintillation spectrometry analysis
50046375	2	ChEMBL_1507629 (CHEMBL3600040)	Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membrane homogenates
50020498	4	ChEMBL_456336 (CHEMBL888347)	Inhibition of humanized rabbit cathepsin K
50020498	2	ChEMBL_456338 (CHEMBL888349)	Inhibition of human cathepsin L
50020498	3	ChEMBL_456337 (CHEMBL888348)	Inhibition of human cathepsin B
50020498	1	ChEMBL_456339 (CHEMBL888350)	Inhibition of human cathepsin S
50046376	1	ChEMBL_1507833 (CHEMBL3598769)	Displacement of [3H]-(+)-MK-801 from phencyclidine binding site of NMDA receptor in human frontal cortex after 22 hrs by scintillation counting analysis
50046377	1	ChEMBL_1507855 (CHEMBL3598791)	Inhibition of Cryptococcus neoformans var. grubii beta-carbonic anhydrase incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50046378	1	ChEMBL_1507858 (CHEMBL3598794)	Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis
50046378	2	ChEMBL_1507860 (CHEMBL3598796)	Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis
50046379	1	ChEMBL_1508181 (CHEMBL3603059)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins prior to substrate addition by Ellman's method
50046380	1	ChEMBL_1508368 (CHEMBL3602216)	Positive allosteric modulator activity at GABA-B receptor (unknown origin) assessed as potentiation of 1 uM GABA-induced [35S]GTPgammaS binding
50046380	2	ChEMBL_1508361 (CHEMBL3602209)	Displacement of [3H]CGP54626 from GABA-B receptor (unknown origin) by radioligand binding assay
50046380	3	ChEMBL_1508360 (CHEMBL3602208)	Binding affinity to GABA-B receptor (unknown origin)
50046380	4	ChEMBL_1508365 (CHEMBL3602213)	Agonist activity at human recombinant GABA-B receptor
50046366	5	ChEMBL_1508565 (CHEMBL3602648)	Inhibition of recombinant His6-tagged GST-fused human HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys-(epsilon-acetyl)-AMC as substrate after 3 hrs
50046366	2	ChEMBL_1508563 (CHEMBL3602646)	Inhibition of recombinant His6-tagged GST-fused human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs
50046366	3	ChEMBL_1508574 (CHEMBL3602657)	Inhibition of human ERG overexpressed in CHO cells by Qpatch method
50046381	1	ChEMBL_1508576 (CHEMBL3602659)	Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blot analysis
50046381	2	ChEMBL_1508575 (CHEMBL3602658)	Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis
50046382	1	ChEMBL_1508580 (CHEMBL3602663)	Displacement of [3H]-1-MeHis-TRH from mouse TRH-R2 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method
50046382	2	ChEMBL_1508581 (CHEMBL3602664)	Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method
50020507	6	ChEMBL_448087 (CHEMBL898343)	Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells
50020507	5	ChEMBL_448090 (CHEMBL898346)	Displacement of [125I]NDP-MSH from MC5R receptor in HEK293 cells
50020507	4	ChEMBL_448115 (CHEMBL898372)	Binding affinity to rat MC4 receptor
50020507	7	ChEMBL_448111 (CHEMBL898367)	Agonist activity at ghrelin receptor
50046382	3	ChEMBL_1508579 (CHEMBL3602662)	Displacement of [3H]-1-MeHis-TRH from mouse TRH-R1 expressed in HEK293 cells incubated up to 4 hrs by scintillation counting method
50020508	2	ChEMBL_447602 (CHEMBL896616)	Inhibition of human PNP in presence of 1 mM phosphate
50020508	1	ChEMBL_447604 (CHEMBL896618)	Inhibition of calf PNP in presence of 1 mM phosphate
50020509	3	ChEMBL_447606 (CHEMBL895494)	Inhibition of human DPP4
50020509	1	ChEMBL_447608 (CHEMBL895495)	Inhibition of DPP8
50020509	2	ChEMBL_447607 (CHEMBL895493)	Inhibition of DPP2
50020525	1	ChEMBL_437130 (CHEMBL906527)	Binding affinity to kappa opioid receptor
50020525	3	ChEMBL_437129 (CHEMBL906526)	Binding affinity to mu opioid receptor
50020529	5	ChEMBL_439196 (CHEMBL889544)	Agonist activity at human GPR40 H86F mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium
50020529	2	ChEMBL_439199 (CHEMBL889547)	Agonist activity at human GPR40 H137A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium
50020529	3	ChEMBL_439198 (CHEMBL889546)	Agonist activity at human GPR40 H86A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium
50020529	4	ChEMBL_439197 (CHEMBL889545)	Agonist activity at human GPR40 H137F mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium
50020529	1	ChEMBL_439195 (CHEMBL889543)	Agonist activity at human GPR40 N244A mutant expressed in HEK-EM 293 cells assessed as increase in intracellular calcium
50020531	2	ChEMBL_439212 (CHEMBL889560)	Inhibition of human recombinant ALK5 phosphorylation expressed in Sf9 cells
50020531	1	ChEMBL_439219 (CHEMBL889567)	Inhibition of PKCmu
50020531	3	ChEMBL_439218 (CHEMBL889566)	Inhibition of p38alpha
50020532	2	ChEMBL_439339 (CHEMBL888455)	Displacement of FAM-Bim peptide from human Mcl1 by fluorescence polarization assay
50020532	3	ChEMBL_439337 (CHEMBL888453)	Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay
50020532	1	ChEMBL_439338 (CHEMBL888454)	Displacement of FAM-Bim peptide from human Bcl-XL by fluorescence polarization assay
50020534	1	ChEMBL_456358 (CHEMBL888369)	Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay
50020534	2	ChEMBL_456357 (CHEMBL888368)	Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay
50020534	3	ChEMBL_456359 (CHEMBL888370)	Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay
50020535	6	ChEMBL_447642 (CHEMBL896649)	Displacement of radiolabeled Dexamethasone from glucocorticoid receptor
50020535	7	ChEMBL_447641 (CHEMBL896648)	Activity at GR assessed as repression of TNFalpha and IL 1-beta induced E-selectin response
50020535	8	ChEMBL_447640 (CHEMBL896647)	Antagonist activity at GR assessed as inhibition of dexamethasone-induced GRE activation
50020535	1	ChEMBL_447638 (CHEMBL896645)	Agonist activity at GR by GRE activation assay
50020535	5	ChEMBL_447643 (CHEMBL896650)	Binding affinity at PR
50020535	4	ChEMBL_447644 (CHEMBL896651)	Binding affinity at AR
50020535	3	ChEMBL_447645 (CHEMBL896652)	Binding affinity at MR
50020535	2	ChEMBL_447639 (CHEMBL896646)	Agonist activity at GR by GRE activation assay relative to Dexamethasone
50020537	2	ChEMBL_447647 (CHEMBL896654)	Agonist activity at human PPARalpha by transactivation assay
50020537	1	ChEMBL_447649 (CHEMBL896656)	Agonist activity at human PPARgamma by transactivation assay
50020537	3	ChEMBL_447651 (CHEMBL896658)	Agonist activity at human PPARdelta by transactivation assay
50046382	4	ChEMBL_1508582 (CHEMBL3602665)	Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as induction of changes in intracellular Ca2+ level by FLIPR method
50046383	4	ChEMBL_1508698 (CHEMBL3602896)	Antagonist activity at cIAP1-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay
50046383	6	ChEMBL_1508689 (CHEMBL3602887)	Antagonist activity at full-length FLAG-tagged XIAP (unknown origin) transfected in HEK293 cells assessed as inhibition of interaction with caspase 9 after 2 hrs by immunoprecipitation assay
50046383	5	ChEMBL_1508678 (CHEMBL3602876)	Antagonist activity at XIAP-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay
50046386	1	ChEMBL_1508912 (CHEMBL3602131)	Inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition measured for 15 mins by FRET assay
50020543	1	ChEMBL_439361 (CHEMBL888475)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50020543	3	ChEMBL_439359 (CHEMBL888473)	Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cells
50020543	2	ChEMBL_439360 (CHEMBL888474)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells
50020546	1	ChEMBL_456377 (CHEMBL907467)	Inhibition of human factor 2a after 10 seconds
50020546	2	ChEMBL_456376 (CHEMBL906423)	Inhibition of human factor 10a after 10 seconds
50020549	3	ChEMBL_456402 (CHEMBL907491)	Inhibition of human HDAC1 expressed in domain of SMRT
50020549	2	ChEMBL_456405 (CHEMBL907494)	Inhibition of human HDAC6
50020549	5	ChEMBL_456403 (CHEMBL907492)	Inhibition of human HDAC2 expressed in domain of SMRT
50020549	1	ChEMBL_456406 (CHEMBL907495)	Inhibition of human HDAC8
50020549	4	ChEMBL_456404 (CHEMBL907493)	Inhibition of human HDAC3 expressed in domain of SMRT
50020553	5	ChEMBL_439385 (CHEMBL888499)	Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST1 receptor
50020553	3	ChEMBL_439388 (CHEMBL888502)	Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST4 receptor
50020553	6	ChEMBL_439386 (CHEMBL888500)	Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST2 receptor
50020553	2	ChEMBL_439387 (CHEMBL888501)	Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST3 receptor
50020553	4	ChEMBL_439390 (CHEMBL888504)	Agonist activity at human SST5 receptor expressed in CHOK1 cells assessed as effect on forskolin-induced cAMP production
50020553	1	ChEMBL_439389 (CHEMBL888503)	Displacement of [125I][Leu8-D-Trp22, Tyr25]-SRIF28 from human SST5 receptor
50020557	1	ChEMBL_456428 (CHEMBL907517)	Binding affinity at human serum albumin
50020558	1	ChEMBL_447657 (CHEMBL896664)	Displacement of iodoacetamide-fluorescein-labeled SRC3 from ERalpha by TR-FRET assay
50020559	1	ChEMBL_456435 (CHEMBL907524)	Inhibition of Mycobacterium tuberculosis InhA
50020561	3	ChEMBL_456442 (CHEMBL907531)	Inhibition of cRaf
50020561	1	ChEMBL_456444 (CHEMBL907533)	Inhibition of Lyn
50020561	5	ChEMBL_456445 (CHEMBL907534)	Inhibition of Abl
50020561	2	ChEMBL_456443 (CHEMBL907532)	Inhibition of Src
50020561	4	ChEMBL_456441 (CHEMBL907530)	Inhibition of Jnk2
50020562	1	ChEMBL_437153 (CHEMBL906550)	Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons
50020564	4	ChEMBL_448188 (CHEMBL898448)	Antagonist activity at human adenosine A3 receptor after 15 to 30 mins
50020564	1	ChEMBL_448186 (CHEMBL898446)	Agonist activity at human adenosine A3 receptor after 15 to 30 mins
50020564	2	ChEMBL_448190 (CHEMBL898450)	Antagonist activity at human adenosine A1 receptor
50020564	3	ChEMBL_448189 (CHEMBL898449)	Agonist activity at human adenosine A1 receptor
50046386	2	ChEMBL_1508919 (CHEMBL3602138)	Competitive inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition measured for 15 mins by Cheng-Prusoff plot analysis
50046386	3	ChEMBL_1508920 (CHEMBL3602139)	Inhibition of WNV NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition measured for 15 mins by Dixon plot analysis
50046387	1	ChEMBL_1508924 (CHEMBL3602143)	Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50046387	2	ChEMBL_1508923 (CHEMBL3602142)	Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50020574	1	ChEMBL_448200 (CHEMBL898460)	Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells
50046385	1	ChEMBL_1508904 (CHEMBL3602054)	Agonist activity at human PPARgamma transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay
50046385	2	ChEMBL_1508903 (CHEMBL3602053)	Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay
50046387	3	ChEMBL_1508925 (CHEMBL3602144)	Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50020578	1	ChEMBL_456499 (CHEMBL887322)	Antagonist activity at human NMDA NR1 receptor
50020580	2	ChEMBL_439392 (CHEMBL888507)	Inhibition of DPP4
50020580	4	ChEMBL_439394 (CHEMBL888505)	Inhibition of DPP8
50020580	3	ChEMBL_439393 (CHEMBL888508)	Inhibition of QPP
50020580	1	ChEMBL_439398 (CHEMBL888511)	Inhibition of Cyp2D6
50020580	6	ChEMBL_439396 (CHEMBL888509)	Inhibition of human ERG potassium channel
50020580	5	ChEMBL_439395 (CHEMBL888506)	Inhibition of DPP9
50020583	1	ChEMBL_448214 (CHEMBL898474)	Displacement of [111In]DTPA-Glu-Gly-[Tyr27(SO3H)]-CCK8 from human CCK1 receptor expressed in A431 cells
50025309	1	ChEMBL_506433 (CHEMBL941421)	Inhibition of mTOR
50020586	1	ChEMBL_439404 (CHEMBL888517)	Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-induced inositol phosphate formation
50020586	2	ChEMBL_439403 (CHEMBL888516)	Displacement of [3H]MRS-2270 from human P2Y1 receptor expressed in Sf9 cells
50025323	1	ChEMBL_506739 (CHEMBL939647)	Inhibition of MEK1 in mouse C2C12 by ERK2 phosphorylation assay
50020594	1	ChEMBL_447683 (CHEMBL896692)	Inhibition of Mycobacterium smegmatis arabinosyl transferase assessed as [14C]arabinofuranose incorporation
50020595	3	ChEMBL_439442 (CHEMBL888562)	Inhibition of factor 10a
50020595	2	ChEMBL_439443 (CHEMBL888563)	Inhibition of factor 7a
50020595	1	ChEMBL_439444 (CHEMBL888564)	Inhibition of factor 2a
50020606	1	ChEMBL_439547 (CHEMBL888663)	Antagonist activity at human mGluR5 receptor expressed in CHOK1 cells assessed as inhibition of glutamate-mediated internal calcium mobilization
50020607	6	ChEMBL_439549 (CHEMBL888665)	Inhibition of human recombinant DHFR
50020607	2	ChEMBL_439552 (CHEMBL888668)	Inhibition of Toxoplasma gondii DHFR
50020607	1	ChEMBL_439553 (CHEMBL888669)	Inhibition of Mycobacterium avium DHFR
50020607	3	ChEMBL_439554 (CHEMBL888670)	Inhibition of Lactobacillus casei DHFR
50020607	4	ChEMBL_439551 (CHEMBL888667)	Inhibition of Pneumocystis carinii DHFR
50020607	5	ChEMBL_439550 (CHEMBL888666)	Inhibition of rat liver DHFR
50046387	4	ChEMBL_1508926 (CHEMBL3602145)	Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50020613	4	ChEMBL_456526 (CHEMBL922892)	Inhibition of JNK2
50020613	7	ChEMBL_456523 (CHEMBL922889)	Inhibition of MK2
50020613	1	ChEMBL_456530 (CHEMBL922896)	Inhibition of PRAK
50020613	8	ChEMBL_456525 (CHEMBL922891)	Inhibition of MSK1
50020613	2	ChEMBL_456531 (CHEMBL922897)	Inhibition of MNK1
50020613	3	ChEMBL_456527 (CHEMBL922893)	Inhibition of IKK2
50020613	6	ChEMBL_456528 (CHEMBL922894)	Inhibition of p38alpha
50020613	9	ChEMBL_456524 (CHEMBL922890)	Inhibition of MK3
50020613	5	ChEMBL_456529 (CHEMBL922895)	Inhibition of ERK2
50020615	3	ChEMBL_439690 (CHEMBL888801)	Displacement of [3H]QNB from muscarinic M1 receptor
50020615	35	ChEMBL_439669 (CHEMBL887618)	Displacement of [3H]ketanserin from 5HT2A receptor
50020615	32	ChEMBL_439681 (CHEMBL888792)	Displacement of [125I]pindolol from adrenergic beta-1 receptor
50020615	13	ChEMBL_439698 (CHEMBL888809)	Displacement of [3H]WIN-35428 from DAT
50020615	39	ChEMBL_439667 (CHEMBL887616)	Displacement of [3H]GR-125743 from 5HT1D receptor
50020615	17	ChEMBL_439673 (CHEMBL887622)	Displacement of [3H]LSD from 5HT5A receptor
50020615	38	ChEMBL_439685 (CHEMBL888796)	Displacement of [3H]N-methylspiperone from dopamine D3 receptor
50020615	5	ChEMBL_439692 (CHEMBL888803)	Displacement of [3H]QNB from muscarinic M3 receptor
50020615	34	ChEMBL_439687 (CHEMBL888798)	Displacement of radiolabeled SKF-38393 from dopamine D5 receptor
50020615	9	ChEMBL_439696 (CHEMBL888807)	Displacement of [3H]diprenorphine from mu opioid receptor
50020615	46	ChEMBL_439662 (CHEMBL888777)	Binding affinity at mGluR4
50020615	42	ChEMBL_439665 (CHEMBL887614)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor
50020615	41	ChEMBL_439666 (CHEMBL887615)	Displacement of [3H]GR-125743 from 5HT1B receptor
50020615	1	ChEMBL_439670 (CHEMBL887619)	Displacement of [3H]LSD from 5HT2B receptor
50020615	10	ChEMBL_439678 (CHEMBL888789)	Displacement of [3H]cholidine from adrenergic alpha2A receptor
50020615	18	ChEMBL_439699 (CHEMBL888810)	Displacement of [3H]nisoxitine from NET
50020615	8	ChEMBL_439693 (CHEMBL888804)	Displacement of [3H]QNB from muscarinic M4 receptor
50020615	23	ChEMBL_439700 (CHEMBL888811)	Displacement of [3H]citalopram from SERT
50020615	24	ChEMBL_439702 (CHEMBL888813)	Binding affinity to from histamine H2 receptor
50020615	11	ChEMBL_439677 (CHEMBL888788)	Displacement of [3H]prazosin from adrenergic alpha-1B receptor
50020615	29	ChEMBL_439646 (CHEMBL888761)	Displacement of [3H]MPEP from mGluR5 in rat brain membrane
50020615	22	ChEMBL_439675 (CHEMBL887624)	Displacement of [3H]LSD from 5HT7 receptor
50020615	4	ChEMBL_439671 (CHEMBL887620)	Displacement of [3H]mesulergine from 5HT2C receptor
50020615	6	ChEMBL_439691 (CHEMBL888802)	Displacement of [3H]QNB from muscarinic M2 receptor
50020615	37	ChEMBL_439686 (CHEMBL888797)	Displacement of [3H]N-methylspiperone from dopamine D4 receptor
50020615	44	ChEMBL_439663 (CHEMBL888778)	Binding affinity at mGluR6
50020615	43	ChEMBL_439664 (CHEMBL888779)	Binding affinity at mGluR8
50020615	15	ChEMBL_439697 (CHEMBL888808)	Displacement of [3H]bremazocine from kappa opioid receptor
50020615	20	ChEMBL_439703 (CHEMBL888814)	Binding affinity to histamine H3 receptor
50020615	33	ChEMBL_439680 (CHEMBL888791)	Displacement of [3H]cholidine from adrenergic alpha-2C receptor
50020615	7	ChEMBL_439694 (CHEMBL888805)	Displacement of [3H]QNB from muscarinic M5 receptor
50020615	25	ChEMBL_439701 (CHEMBL888812)	Binding affinity to histamine H1 receptor
50020615	30	ChEMBL_439647 (CHEMBL888762)	Activity at human recombinant mGluR5 in CHO cells assessed as inhibition of quisqualate-stimulated phosphoinositide hydrolysis
50020615	40	ChEMBL_439684 (CHEMBL888795)	Displacement of [3H]N-methylspiperone from dopamine D2 receptor
50020615	19	ChEMBL_439676 (CHEMBL888787)	Displacement of [3H]prazosin from adrenergic alpha-1A receptor
50020615	21	ChEMBL_439704 (CHEMBL888815)	Binding affinity to histamine H4 receptor
50020615	45	ChEMBL_439688 (CHEMBL888799)	Binding affinity to sigma1 receptor
50020615	16	ChEMBL_439674 (CHEMBL887623)	Displacement of [3H]LSD from 5HT6 receptor
50020615	36	ChEMBL_439668 (CHEMBL887617)	Displacement of [3H]5-HT from 5HT1E receptor
50020615	26	ChEMBL_439661 (CHEMBL888776)	Binding affinity at mGluR2
50020615	28	ChEMBL_439683 (CHEMBL888794)	Displacement of [3H]SCH-23390 from dopamine D1 receptor
50020619	1	ChEMBL_439778 (CHEMBL888888)	Inhibition of c-Abl
50020623	1	ChEMBL_437192 (CHEMBL906590)	Displacement of [125I]MCH from MCHR1 expressed in CHO cells
50025326	2	ChEMBL_507813 (CHEMBL941376)	Reduction of human wild type PS1-induced amyloid beta-40 level in CHO cells overexpressing human APP751 after 24 hrs by liquid phase electrochemiluminescence assay relative to control
50025326	1	ChEMBL_507814 (CHEMBL941377)	Reduction of human wild type PS1-induced amyloid beta-42 level in CHO cells overexpressing human APP751 after 24 hrs by liquid phase electrochemiluminescence assay relative to control
50046388	1	ChEMBL_1508927 (CHEMBL3602146)	Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as paclitaxel IC50 for cell growth inhibition at 1 uM after 5 days by MTS assay
50046388	2	ChEMBL_1508932 (CHEMBL3602151)	Modulation of P-gp in human MDA435/LCC6MDR cells assessed as reversal of paclitaxel resistance
50046389	1	ChEMBL_1509016 (CHEMBL3602459)	Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method
50046390	1	ChEMBL_1509125 (CHEMBL3602684)	Inhibition of Influenza A/Perto Rico/8/34 (PR8) (H1N1) PA N-terminal domain (1 to 197) endonuclease activity expressed in Escherichia coli Rosetta (DE3) using (6-FAM)-AAT CGC AGG CAG CAC TC-(BHQ-1) as substrate measured every 50 secs for 30 mins by FRET assay
50046390	2	ChEMBL_1509131 (CHEMBL3602690)	Inhibition of Influenza A/Puerto Rico/8/34 (H1N1) PA N-terminal domain endonuclease activity expressed in Escherichia coli BL21 (RIL) cells using (6-FAM)TGGCAATATCAGCTCCACA(MGBNFQ) as substrate by fluorescence assay
50020624	1	ChEMBL_447718 (CHEMBL896726)	Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHO cell membrane
50020625	1	ChEMBL_439781 (CHEMBL888891)	Inhibition of HMGCoA reductase
50020626	1	ChEMBL_456534 (CHEMBL922900)	Inhibition of HMG-CoA reductase
50046391	1	ChEMBL_1509142 (CHEMBL3602701)	Binding affinity to HIV-1 HXB2 gp41 N-terminal heptad repeat assessed as inhibition of 6-helix bundle formation after 30 mins by ELISA
50020627	2	ChEMBL_447721 (CHEMBL896729)	Agonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay
50020627	1	ChEMBL_447720 (CHEMBL896728)	Displacement of [3H]DHT from human androgen receptor in MDA453 cells
50020627	3	ChEMBL_447722 (CHEMBL896730)	Antagonist activity at androgen receptor in mouse C2C12 cells by receptor transactivation assay
50020628	1	ChEMBL_439784 (CHEMBL888894)	Displacement of [3H]rosiglitazone from PPAR gamma
50020630	1	ChEMBL_456542 (CHEMBL922908)	Inhibition of VEGFR2
50020630	3	ChEMBL_456541 (CHEMBL922907)	Inhibition of HER2
50020630	2	ChEMBL_456543 (CHEMBL922909)	Inhibition of aurora-A
50020631	2	ChEMBL_456549 (CHEMBL922915)	Inhibition of human recombinant cKit by FRET assay
50020631	3	ChEMBL_456550 (CHEMBL922916)	Inhibition of b-Raf
50020631	5	ChEMBL_456553 (CHEMBL922919)	Inhibition of P-ERK
50020631	1	ChEMBL_456556 (CHEMBL922924)	Inhibition of VEGFR2
50020631	4	ChEMBL_456552 (CHEMBL922918)	Inhibition of pAkt
50020632	4	ChEMBL_447747 (CHEMBL895641)	Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells
50046391	2	ChEMBL_1509136 (CHEMBL3602695)	Inhibition of HIV-1 HXB2 gp41 N-terminal heptad repeat-mediated fusion between infected HL2/3 cells to target TZM-bl cells after 6 hrs by luciferase reporter gene assay
50020632	3	ChEMBL_447748 (CHEMBL895642)	Displacement of [125I]NDP-alphaMSH from human melanocortin 1 receptor expressed in CHOK1 cells
50020632	1	ChEMBL_447750 (CHEMBL895644)	Displacement of [125I]NDP-alphaMSH from human melanocortin 5 receptor expressed in CHOK1 cells
50020636	1	ChEMBL_448348 (CHEMBL898607)	Agonist activity at human ERbeta expressed in yeast AH109 by yeast two hybrid assay
50020636	3	ChEMBL_448345 (CHEMBL898604)	Displacement of [3H]17beta-estradiol from recombinant human ERbeta
50020636	4	ChEMBL_448344 (CHEMBL898603)	Displacement of [3H]17beta-estradiol from recombinant human ERalpha
50020636	2	ChEMBL_448347 (CHEMBL898606)	Agonist activity at human ERalpha expressed in yeast AH109 by yeast two hybrid assay
50020636	5	ChEMBL_448350 (CHEMBL898609)	Antagonist activity at ERalpha expressed in yeast AH109 assessed as inhibition of 17-beta-estradiol induced alpha-galactosidase activity
50020637	1	ChEMBL_456564 (CHEMBL922930)	Inhibition of anthrax lethal factor by FRET assay
50020638	2	ChEMBL_447757 (CHEMBL896765)	Displacement of [3H]haTRAP from human PAR1 receptor in platelet membrane
50020638	1	ChEMBL_447762 (CHEMBL896771)	Binding affinity to cannabinoid CB2 receptor
50020639	1	ChEMBL_439791 (CHEMBL888901)	Inhibition of MMP12
50020641	6	ChEMBL_456575 (CHEMBL922941)	Inhibition of MMP2
50020641	1	ChEMBL_456579 (CHEMBL922945)	Inhibition of MMP13
50020641	5	ChEMBL_456576 (CHEMBL922942)	Inhibition of MMP3
50020641	3	ChEMBL_456578 (CHEMBL922944)	Inhibition of MMP12
50020641	4	ChEMBL_456574 (CHEMBL922940)	Inhibition of porcine TACE
50020641	2	ChEMBL_456577 (CHEMBL922943)	Inhibition of MMP7
50020643	1	ChEMBL_456584 (CHEMBL923961)	Inhibition of HDAC1
50020645	3	ChEMBL_448359 (CHEMBL898620)	Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO cells
50020645	2	ChEMBL_448363 (CHEMBL898624)	Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK293 cells assessed as change in quinpirole-induced intracellular calcium response
50020645	4	ChEMBL_448358 (CHEMBL898619)	Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expressed in HEK293 cells
50020645	1	ChEMBL_448365 (CHEMBL898626)	Antagonist activity at human Dopamine D5 receptor in HEK293 cells assessed as change in SKF 38393-induced intracellular calcium response
50020645	5	ChEMBL_448361 (CHEMBL898622)	Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK293
50020647	1	ChEMBL_439792 (CHEMBL888902)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 90 mins
50020648	1	ChEMBL_439840 (CHEMBL890161)	Agonist activity at GPR54 expressed in CHO cells assessed as intracellular calcium mobilization
50020651	1	ChEMBL_439850 (CHEMBL890173)	Inhibition of Estrone sulfatase in human placental microsome
50046392	1	ChEMBL_1509260 (CHEMBL3602923)	Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competition assay
50046392	2	ChEMBL_1509259 (CHEMBL3602922)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by fluorescence polarization assay
50046393	1	ChEMBL_1509383 (CHEMBL3603326)	Inhibition of JAK3 (unknown origin) by Z'-Lyte assay
50025348	2	ChEMBL_531312 (CHEMBL989724)	Agonist activity at CB1 receptor
50025348	1	ChEMBL_531313 (CHEMBL989725)	Activity at CB2 receptor
50025348	3	ChEMBL_531310 (CHEMBL989722)	Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane
50025348	4	ChEMBL_531309 (CHEMBL989721)	Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane
50020659	1	ChEMBL_447770 (CHEMBL896779)	Inhibition of human recombinant placental SAH
50020663	3	ChEMBL_439904 (CHEMBL890223)	Inhibition of human recombinant MMP3 after 1 hr
50020663	4	ChEMBL_439902 (CHEMBL890221)	Inhibition of human recombinant MMP2 after 1 hr
50020663	1	ChEMBL_439905 (CHEMBL890224)	Inhibition of human recombinant MMP12 after 1 hr
50046393	2	ChEMBL_1509382 (CHEMBL3603325)	Inhibition of ITK (unknown origin) by Z'-Lyte assay
50046393	3	ChEMBL_1509381 (CHEMBL3603324)	Inhibition of BTK (unknown origin) by Z'-Lyte assay
50020665	2	ChEMBL_447772 (CHEMBL896781)	Inhibition of urokinase
50020665	1	ChEMBL_447773 (CHEMBL896782)	Inhibition of factor 10a
50020669	4	ChEMBL_456604 (CHEMBL923981)	Binding affinity to rat SERT
50020669	2	ChEMBL_456605 (CHEMBL923982)	Binding affinity to human SERT
50020669	3	ChEMBL_456606 (CHEMBL923983)	Binding affinity to human histamine H3 receptor
50020669	1	ChEMBL_456614 (CHEMBL922969)	Binding affinity to kappa opioid receptor
50020669	5	ChEMBL_456612 (CHEMBL922967)	Binding affinity to DAT
50020669	6	ChEMBL_456613 (CHEMBL922968)	Binding affinity to NET
50020675	1	ChEMBL_439949 (CHEMBL890266)	Binding affinity to glucocorticoid receptor by GR binding assay
50046393	4	ChEMBL_1509378 (CHEMBL3603321)	Inhibition of wild type EGFR (unknown origin) by Z'-Lyte assay
50046393	5	ChEMBL_1509377 (CHEMBL3603320)	Inhibition of TYK2 (unknown origin) by Z'-Lyte assay
50046393	6	ChEMBL_1509376 (CHEMBL3603319)	Inhibition of JAK2 (unknown origin) by Z'-Lyte assay
50046393	7	ChEMBL_1509375 (CHEMBL3603318)	Inhibition of JAK1 (unknown origin) by Z'-Lyte assay
50046393	8	ChEMBL_1509370 (CHEMBL3603313)	Inhibition of TXK (unknown origin) by Z'-Lyte assay
50046393	9	ChEMBL_1509369 (CHEMBL3603312)	Inhibition of BLK (unknown origin) by Z'-Lyte assay
50046393	10	ChEMBL_1509368 (CHEMBL3603311)	Inhibition of TTK (unknown origin) by LanthaScreen assay
50046393	11	ChEMBL_1509367 (CHEMBL3603310)	Inhibition of FLT3 (unknown origin) by Z'-Lyte assay
50046393	12	ChEMBL_1509497 (CHEMBL3602168)	Inhibition of aurora-A (unknown origin) by Z'-Lyte assay
50046393	13	ChEMBL_1509498 (CHEMBL3602169)	Binding affinity to JAK3 (unknown origin)
50046394	1	ChEMBL_1509837 (CHEMBL3603720)	Inhibition of recombinant His6-tagged Pim-1 (unknown origin) expressed in Escherichia coli BL21 (DE3)
50046395	1	ChEMBL_1509985 (CHEMBL3607919)	Inhibition of LRRK2 (unknown origin)
50046395	2	ChEMBL_1509988 (CHEMBL3607922)	Inhibition of LRRK2 G2019S mutant-induced neuronal toxicity in human cortical neurons
50046396	1	ChEMBL_1509992 (CHEMBL3608045)	Inhibition of human MAOB
50046396	2	ChEMBL_1509991 (CHEMBL3608044)	Competitive inhibition of human liver MAOB expressed in Pichia pastoris
50046396	3	ChEMBL_1509995 (CHEMBL3608048)	Binding affinity to adenosine A2A receptor in rat brain striatal membranes
50046397	1	ChEMBL_1509997 (CHEMBL3608050)	Inhibition of human 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic acid substrate addition by HPLC-UV spectroscopy
50046397	2	ChEMBL_1509999 (CHEMBL3608052)	Inhibition of 15-LOX-1 in human L1236 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic acid substrate addition by HPLC-UV spectroscopy
50046397	3	ChEMBL_1510008 (CHEMBL3608061)	Inhibition of pig 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic acid substrate addition by HPLC-UV spectroscopy
50046397	4	ChEMBL_1510015 (CHEMBL3608068)	Inhibition of human CYP1A2
50046397	5	ChEMBL_1510142 (CHEMBL3606432)	Inhibition of human CYP2C9
50046397	6	ChEMBL_1510144 (CHEMBL3606434)	Inhibition of human CYP2C19
50020679	1	ChEMBL_440063 (CHEMBL889228)	Inhibition of CYP19 in human placental microsomes
50046397	7	ChEMBL_1510146 (CHEMBL3606436)	Inhibition of human CYP2D6
50046397	8	ChEMBL_1510150 (CHEMBL3606440)	Inhibition of human CYP3A4
50020681	5	ChEMBL_440101 (CHEMBL890413)	Inhibition of human recombinant caspase 1
50020681	3	ChEMBL_440105 (CHEMBL890417)	Inhibition of human recombinant caspase 8
50020681	2	ChEMBL_440103 (CHEMBL890415)	Inhibition of human recombinant caspase 6
50020681	4	ChEMBL_440102 (CHEMBL890414)	Inhibition of human recombinant caspase 3
50020681	1	ChEMBL_440104 (CHEMBL890416)	Inhibition of human recombinant caspase 7
50020683	2	ChEMBL_456638 (CHEMBL922993)	Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells
50020683	3	ChEMBL_456641 (CHEMBL922996)	Antagonist activity at CCR2 receptor in THP1 cells assessed as inhibition of MCP1-induced calcium mobilization
50020683	4	ChEMBL_456642 (CHEMBL922997)	Antagonist activity at CCR2 receptor in PBMC assessed as inhibition of MCP1-induced calcium mobilization
50020683	1	ChEMBL_456649 (CHEMBL923004)	Displacement of MIP1-alpha from CCR5 receptor
50020687	1	ChEMBL_456666 (CHEMBL924047)	Inhibition of [3H]glucose uptake at Plasmodium falciparum HT expressed in Xenopus laevis oocytes
50020687	2	ChEMBL_456667 (CHEMBL924048)	Inhibition of [3H]glucose uptake at mammalian GLUT1 expressed in Xenopus laevis oocytes
50020690	5	ChEMBL_440116 (CHEMBL890428)	Displacement of [3H]dexamethasone from human recombinant GR
50020690	4	ChEMBL_440117 (CHEMBL890429)	Antagonist activity at human GR
50020690	3	ChEMBL_440119 (CHEMBL890431)	Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells
50020690	1	ChEMBL_440120 (CHEMBL890432)	Displacement of [3H]progesterone from progesterone receptor
50020690	2	ChEMBL_440133 (CHEMBL890443)	Activity at human GR expressed in SW1353 cells
50020692	1	ChEMBL_448481 (CHEMBL897635)	Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs
50020692	3	ChEMBL_448485 (CHEMBL897633)	Inhibition of Eg5 ATPase activity expressed in HeLa cells after 12 hrs
50020692	2	ChEMBL_448480 (CHEMBL897634)	Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs
50020693	2	ChEMBL_456670 (CHEMBL924051)	Inhibition of human HDAC4
50020693	1	ChEMBL_456671 (CHEMBL924052)	Inhibition of human HDAC6
50020693	3	ChEMBL_456669 (CHEMBL924050)	Inhibition of human HDAC1
50020694	1	ChEMBL_456679 (CHEMBL924060)	Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP production test
50046397	9	ChEMBL_1510006 (CHEMBL3608059)	Inhibition of rat 15-LOX-1 expressed in Sf9 cells assessed as reduction in conversion of arachidonic acid to 15-HETE pre-incubated 5 min before arachidonic acid substrate addition by HPLC-UV spectroscopy
50046398	1	ChEMBL_1510162 (CHEMBL3606533)	Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 pre-incubated for 15 mins before arachidonic acid addition by HPLC method
50046398	2	ChEMBL_1510161 (CHEMBL3606532)	Inhibition of human recombinant COX2 assessed as reduction in 12-HHT formation pre-incubated for 5 mins before arachidonic acid addition by HPLC method
50046398	3	ChEMBL_1510157 (CHEMBL3606528)	Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using PGH2 substrate by RP-HPLC method
50046399	1	ChEMBL_1510163 (CHEMBL3606534)	Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of CCL5-induced calcium mobilization after 1 hr
50046400	1	ChEMBL_1510174 (CHEMBL3606545)	Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced Ca2+ flux after 30 mins by FLIPR assay
50046400	2	ChEMBL_1510172 (CHEMBL3606543)	Antagonist activity against human P2X7 receptor expressed in HEK293 cells by FLIPR based calcium accumulation assay
50046400	4	ChEMBL_1510175 (CHEMBL3606546)	Antagonist activity at rat P2X7 receptor assessed as inhibition of ATP-induced Ca2+ flux by FLIPR assay
50046400	5	ChEMBL_1510185 (CHEMBL3606556)	Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL1beta release incubated 30 mins prior to BzATP-challenge measured after 1.5 hrs by ELISA method
50046400	6	ChEMBL_1510178 (CHEMBL3606549)	Displacement of [3H]-astemizole from human ERG channel expressed in HEK293 cells by radioligand competition binding assay
50046401	59	ChEMBL_1510330 (CHEMBL3606998)	Inhibition of CDK2 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measured after 15 mins by beta plate counting analysis
50046401	63	ChEMBL_1510337 (CHEMBL3607087)	Inhibition of CDK4 (unknown origin)
50046401	48	ChEMBL_1510341 (CHEMBL3607091)	Inhibition of VEGFR2 (unknown origin)
50046401	54	ChEMBL_1510329 (CHEMBL3606997)	Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measured after 15 mins by beta plate counting analysis
50046401	50	ChEMBL_1510345 (CHEMBL3607095)	Inhibition of CDK1/cyclin B (unknown origin) by radiometric filter binding assay
50046401	55	ChEMBL_1510349 (CHEMBL3607099)	Inhibition of CDK4/cyclin D1 (unknown origin) by ELISA
50046401	53	ChEMBL_1510344 (CHEMBL3607094)	Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay
50046401	51	ChEMBL_1510201 (CHEMBL3606653)	Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATP
50046401	60	ChEMBL_1510351 (CHEMBL3607101)	Inhibition of GSK3beta (unknown origin) by radiometric filter binding assay
50046401	52	ChEMBL_1510322 (CHEMBL3606990)	Competitive inhibition of human CDK7 in presence of ATP
50020702	1	ChEMBL_437200 (CHEMBL906598)	Inhibition of human recombinant SIRT3 using fluorescent peptide substrate by fluorescent assay
50020702	2	ChEMBL_437199 (CHEMBL906597)	Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by fluorescent assay
50020702	3	ChEMBL_437198 (CHEMBL906596)	Inhibition of human recombinant SIRT1 using fluorescent peptide substrate by fluorescent assay
50020706	2	ChEMBL_447843 (CHEMBL898093)	Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay
50020706	1	ChEMBL_447845 (CHEMBL898095)	Displacement of [3H]MPEP from mGlu5 receptor in rat brain
50020709	1	ChEMBL_456762 (CHEMBL924143)	Inhibition of human recombinant TG2
50020715	3	ChEMBL_440136 (CHEMBL890447)	Inhibition of human procollagen C-proteinase expressed in CHO cells
50020715	1	ChEMBL_440138 (CHEMBL890449)	Inhibition of MMP2
50020715	2	ChEMBL_440139 (CHEMBL890450)	Inhibition of MMP3
50020715	5	ChEMBL_440142 (CHEMBL890453)	Inhibition of MMP13
50020715	4	ChEMBL_440137 (CHEMBL890448)	Inhibition of MMP1
50046401	61	ChEMBL_1510336 (CHEMBL3607004)	Competitive inhibition of CDK6/cyclin D3 (unknown origin) assessed as phosphorylation of CTRF after 50 mins by Michaelis-Menten plot analysis in presence of ATP
50046401	58	ChEMBL_1510332 (CHEMBL3607000)	Inhibition of human CDK1/cyclin B1 (unknown origin)
50046401	56	ChEMBL_1510326 (CHEMBL3606994)	Inhibition of CDK2 (unknown origin) expressed in baculovirus infected insect cells using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measured after 15 mins by beta plate counting analysis
50046401	49	ChEMBL_1510202 (CHEMBL3606654)	Non-competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATP
50020716	3	ChEMBL_440177 (CHEMBL890491)	Displacement of [3H]PDBu from mouse PKCdelta C1b Q27E mutant expressed in Escherichia coli
50020716	5	ChEMBL_440179 (CHEMBL890493)	Binding affinity to mouse PKC delta C1a Q27E mutant expressed in Escherichia coli
50020716	1	ChEMBL_440180 (CHEMBL890494)	Binding affinity to mouse wild-type PKCdelta C1a expressed in Escherichia coli
50020716	4	ChEMBL_440176 (CHEMBL890490)	Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli
50020716	6	ChEMBL_440178 (CHEMBL890492)	Ratio of Ki for mouse wild type C1b domain of PKCdelta to Ki for mouse PKCdelta C1b Q27E mutant
50020716	2	ChEMBL_440175 (CHEMBL890489)	Displacement of [3H]PDBu from mouse recombinant PKCalpha expressed in Escherichia coli
50046401	57	ChEMBL_1510350 (CHEMBL3607100)	Inhibition of CDK6/cyclin D3 (unknown origin) by ELISA
50025356	1	ChEMBL_516548 (CHEMBL985141)	Inhibition of Escherichia coli CTX-M-15
50046402	1	ChEMBL_1511555 (CHEMBL3607055)	Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method
50046402	2	ChEMBL_1511548 (CHEMBL3607048)	Inhibition of human carbonic anhydrase-2 by CO2 hydration assay
50046402	3	ChEMBL_1511547 (CHEMBL3607047)	Inhibition of human carbonic anhydrase-1 by CO2 hydration assay
50025358	1	ChEMBL_506040 (CHEMBL950635)	Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphatidylinositol turnover
50025358	2	ChEMBL_506015 (CHEMBL950610)	Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells
50020724	2	ChEMBL_448530 (CHEMBL897679)	Binding affinity to human 11beta-HSD1 by SPA assay
50020724	3	ChEMBL_448531 (CHEMBL897680)	Inhibition of 11beta-HSD1 in human adipocytes
50020724	1	ChEMBL_448534 (CHEMBL897683)	Binding affinity to human 11beta-HSD2
50020727	1	ChEMBL_456814 (CHEMBL924197)	Agonist activity at GST-tagged human PPARdelta by FRET assay
50020727	2	ChEMBL_456815 (CHEMBL924198)	Agonist activity at PPARalpha by FRET assay
50020728	3	ChEMBL_448538 (CHEMBL897687)	Agonist activity at human mu opioid receptor expressed in CHO membrane by [35S]GTP-gamma-S binding assay
50020728	6	ChEMBL_448542 (CHEMBL897691)	Agonist activity at human kappa opioid receptor expressed in CHO membrane by [35S]GTP-gamma-S binding assay
50020735	1	ChEMBL_440343 (CHEMBL890658)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50020737	5	ChEMBL_440406 (CHEMBL890720)	Agonist activity at mGlu7 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production
50020737	2	ChEMBL_440404 (CHEMBL890718)	Agonist activity at mGlu4 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production
50020737	1	ChEMBL_440405 (CHEMBL890719)	Agonist activity at mGlu6 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production
50020737	4	ChEMBL_440415 (CHEMBL890729)	Agonist activity at rat recombinant NMDA NR2A receptor expressed in xenopus laevis oocyte assessed as inhibition of glycine-stimulated current
50020737	3	ChEMBL_440407 (CHEMBL890721)	Agonist activity at mGlu8 receptor expressed in HEK 293 cells assessed as effect on inositol phosphate production
50020737	6	ChEMBL_440414 (CHEMBL890728)	Agonist activity at rat recombinant NMDA NR1 receptor expressed in xenopus laevis oocyte assessed as inhibition of L-glutamate-stimulated current
50025359	2	ChEMBL_531569 (CHEMBL990573)	Displacement of [3H]CCPA from rat adenosine A1 receptor
50025359	1	ChEMBL_531571 (CHEMBL990575)	Displacement of [3H]MSX2 from rat adenosine A2A receptor
50020743	2	ChEMBL_440454 (CHEMBL890769)	Activity at human alpha7 nACh receptor expressed in Xenopus oocytes assessed as inhibition of acetyl chlone-induced currents by two-electrode voltage clamp method
50020743	1	ChEMBL_440453 (CHEMBL890768)	Activity at human alpha-4-beta-2 nACh receptor expressed in Xenopus oocytes assessed as inhibition of acetyl chlone-induced currents by two-electrode voltage clamp method
50020744	1	ChEMBL_448548 (CHEMBL897698)	Antagonist activity at MCHR1
50020746	1	ChEMBL_440456 (CHEMBL890771)	Displacement of [3H]CP-55940 from human CB1 receptor
50020746	2	ChEMBL_440457 (CHEMBL890772)	Displacement of [3H]CP-55940 from human CB2 receptor
50020747	1	ChEMBL_437299 (CHEMBL906699)	Inhibition of soybean lipoxygenase
50020751	2	ChEMBL_437305 (CHEMBL906707)	Inhibition of human recombinant COX2 by measuring PGE2
50020751	1	ChEMBL_437304 (CHEMBL906705)	Inhibition of ovine COX1 by measuring PGE2
50020753	1	ChEMBL_448557 (CHEMBL897706)	Inhibition of CETP
50020754	1	ChEMBL_440468 (CHEMBL890784)	Inhibition of HDAC1 in HeLa cells
50020756	2	ChEMBL_456855 (CHEMBL923201)	Inhibition of human recombinant EGFR expressed in insect Sf9 cells
50020756	4	ChEMBL_456872 (CHEMBL923218)	Inhibition of CDK2
50020756	3	ChEMBL_456854 (CHEMBL923200)	Inhibition of human recombinant HER2 expressed in insect Sf9 cells
50020756	1	ChEMBL_456869 (CHEMBL923215)	Inhibition of Met
50020756	6	ChEMBL_456870 (CHEMBL923216)	Inhibition of LCK
50020756	5	ChEMBL_456871 (CHEMBL923217)	Inhibition of VEGFR2
50020761	1	ChEMBL_440533 (CHEMBL889632)	Displacement of [3H]CP-55940 from human recombinant CB1R expressed in CHO cells
50020761	2	ChEMBL_440538 (CHEMBL889637)	Agonist activity at human CB2R
50046403	1	ChEMBL_1511558 (CHEMBL3607058)	Inhibition of CYP3A4 (unknown origin)
50046403	2	ChEMBL_1511559 (CHEMBL3607059)	Inhibition of CYP2D6 (unknown origin)
50046403	3	ChEMBL_1511560 (CHEMBL3607060)	Inhibition of CYP2C9 (unknown origin)
50046403	4	ChEMBL_1511561 (CHEMBL3607061)	Inhibition of CYP1A2 (unknown origin)
50046403	5	ChEMBL_1511565 (CHEMBL3607065)	Inhibition of human ERG
50046403	6	ChEMBL_1511556 (CHEMBL3607056)	Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by calcium mobilization assay
50020775	3	ChEMBL_448611 (CHEMBL897762)	Inhibition of human FLT3
50020775	1	ChEMBL_448614 (CHEMBL897765)	Inhibition of c-kit
50020775	2	ChEMBL_448615 (CHEMBL897766)	Inhibition of PDGFRbeta
50020781	2	ChEMBL_444672 (CHEMBL894921)	Inhibition of integrin alpha-V-beta-5 receptor by ELISA
50020781	3	ChEMBL_444673 (CHEMBL894922)	Inhibition of integrin alpha-2b-beta-3 receptor by ELISA
50020781	1	ChEMBL_444671 (CHEMBL894920)	Inhibition of integrin alpha-V-beta-3 receptor by ELISA
50020781	6	ChEMBL_444670 (CHEMBL894919)	Inhibition of integrin alpha-5-beta-1 receptor by ELISA
50046404	1	ChEMBL_1511670 (CHEMBL3607423)	Inhibition of BChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 30 mins before substrate addition measured after 30 mins by Ellman method
50046404	2	ChEMBL_1511667 (CHEMBL3607335)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins before substrate addition measured after 30 mins by Ellman method
50046405	1	ChEMBL_1511674 (CHEMBL3607427)	Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method
50046405	2	ChEMBL_1511673 (CHEMBL3607426)	Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method
50020784	1	ChEMBL_448634 (CHEMBL897784)	Antagonist activity at human CGRP receptor in E10 cells assessed as inhibition of cAMP production
50020784	2	ChEMBL_448633 (CHEMBL897783)	Displacement of [125I]CGRP from human CL receptor in RAMP1 membranes
50020787	3	ChEMBL_448653 (CHEMBL897804)	Binding affinity to human histamine H3 receptor
50020787	5	ChEMBL_448652 (CHEMBL897803)	Binding affinity to human SERT
50020787	4	ChEMBL_448651 (CHEMBL897802)	Binding affinity to rat SERT
50020787	1	ChEMBL_448655 (CHEMBL897806)	Binding affinity to human NET
50020787	2	ChEMBL_448656 (CHEMBL897807)	Binding affinity to human DAT
50020792	2	ChEMBL_440629 (CHEMBL889723)	Inhibition of rhFGF2-induced cellular proliferation of HUVEC
50020792	1	ChEMBL_440628 (CHEMBL889722)	Inhibition of human FGFR1 kinase expressed in insect cell by HTRF detection method
50020793	1	ChEMBL_448665 (CHEMBL897815)	Inhibition of Tie2 kinase by autophosphorylation assay
50020798	3	ChEMBL_448693 (CHEMBL897839)	Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells
50020798	4	ChEMBL_448695 (CHEMBL897841)	Displacement of [125I]NDP-MSH from human recombinant MC5 receptor expressed in Sf9 cells
50046405	3	ChEMBL_1511672 (CHEMBL3607425)	Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method
50046406	1	ChEMBL_1511787 (CHEMBL3607865)	Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay
50046407	1	ChEMBL_1511917 (CHEMBL3606398)	Inhibition of wild type Bcr-Abl (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay
50046407	2	ChEMBL_1511918 (CHEMBL3606399)	Inhibition of Bcr-Abl T315I mutant (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay
50046408	1	ChEMBL_1510034 (CHEMBL3606126)	Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells after 60 to 90 mins
50046408	2	ChEMBL_1510032 (CHEMBL3606124)	Agonist activity at human SSTR3 expressed in CHO cells assessed as intracellular cAMP level after 45 mins by time-resolved fluorescence assay
50046409	1	ChEMBL_1510040 (CHEMBL3606132)	Inhibition of mouse recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluorescence assay
50046409	2	ChEMBL_1510039 (CHEMBL3606131)	Inhibition of human recombinant MGAT2 assessed as reduction in enzyme-mediated deacylation of oleoyl-CoA incubated for 20 mins by CPM dye based fluorescence assay
50046410	1	ChEMBL_1510049 (CHEMBL3606141)	Inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholineiodide substrate addition by Ellman's method
50046410	2	ChEMBL_1510048 (CHEMBL3606140)	Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate addition by Ellman's method
50046411	1	ChEMBL_1510255 (CHEMBL3606784)	Inhibition of human topoisomerase-2 alpha assessed as reduction in enzyme-mediated kinetoplast DNA decatenation incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50046412	1	ChEMBL_1510388 (CHEMBL3607228)	Antagonist activity against glucocorticoid receptor (unknown origin) expressed in HEK293 cells by GRE-dependent luciferase reporter gene assay
50046412	2	ChEMBL_1510389 (CHEMBL3607229)	Antagonist activity against glucocorticoid receptor in rat H4-IIE cells assessed as inhibition of dexamethasone-induced receptor transactivation pre-incubated for 1 hr before dexamethasone addition and measured 24 hrs post dexamethasone stimulation by tyrosine aminotransferase enzyme assay
50046412	3	ChEMBL_1510384 (CHEMBL3607224)	Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competition binding assay
50046412	4	ChEMBL_1510385 (CHEMBL3607225)	Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells by scintillation counting based radioligand competition binding assay
50046412	5	ChEMBL_1510386 (CHEMBL3607226)	Displacement of [3H]-progesterone from human progesterone receptor expressed in HEK293 cells by scintillation counting based radioligand competition binding assay
50046412	6	ChEMBL_1510382 (CHEMBL3607222)	Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competition binding assay
50046413	1	ChEMBL_1510408 (CHEMBL3607248)	Inhibition of human His-DNMT1 using [methyl-3H]SAM as substrate after 2 hrs
50046413	2	ChEMBL_1510405 (CHEMBL3607245)	Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay
50046414	72	ChEMBL_1510421 (CHEMBL3607346)	Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay
50046414	113	ChEMBL_1510771 (CHEMBL3606466)	Inhibition of human ZAP70
50046414	94	ChEMBL_1510606 (CHEMBL3607954)	Inhibition of human CHK1
50046414	90	ChEMBL_1510634 (CHEMBL3608085)	Inhibition of human P38alpha
50046414	70	ChEMBL_1510422 (CHEMBL3607347)	Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay
50046414	102	ChEMBL_1510444 (CHEMBL3607369)	Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis
50046414	67	ChEMBL_1510424 (CHEMBL3607349)	Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measured after 15 mins by immunocytochemical analysis
50046414	106	ChEMBL_1510769 (CHEMBL3606464)	Inhibition of human TYK2
50046414	109	ChEMBL_1510602 (CHEMBL3607950)	Inhibition of human BRK
50046414	115	ChEMBL_1510619 (CHEMBL3607967)	Inhibition of human IR
50046414	69	ChEMBL_1510621 (CHEMBL3607969)	Inhibition of human JAK2
50046414	64	ChEMBL_1510629 (CHEMBL3607977)	Inhibition of human MNK2
50046414	119	ChEMBL_1510611 (CHEMBL3607959)	Inhibition of human EphA2
50046414	97	ChEMBL_1510446 (CHEMBL3607371)	Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis
50046414	104	ChEMBL_1510762 (CHEMBL3606457)	Inhibition of human PKCbeta
50046414	121	ChEMBL_1510615 (CHEMBL3607963)	Inhibition of human GSK3beta
50046414	85	ChEMBL_1510630 (CHEMBL3607978)	Inhibition of human MPS1
50046414	74	ChEMBL_1510625 (CHEMBL3607973)	Inhibition of human LYN
50046414	112	ChEMBL_1510766 (CHEMBL3606461)	Inhibition of human SYK
50046414	82	ChEMBL_1510598 (CHEMBL3607946)	Inhibition of human AKT1
50046414	98	ChEMBL_1510567 (CHEMBL3607802)	Inhibition of CYP2D6 in human liver microsomes using midazolam as substrate after 10 mins by LC-MS/MS analysis
50046414	95	ChEMBL_1510605 (CHEMBL3607953)	Inhibition of human CDK2/CYCA
50046415	1	ChEMBL_1511842 (CHEMBL3608168)	Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate using luciferase mRNA preincubated for 60 mins before mRNA addition by luminescence based luciferase assay
50046415	2	ChEMBL_1511841 (CHEMBL3608043)	Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate using luciferase mRNA treated simultaneously with mRNA by luminescence based luciferase assay
50046416	1	ChEMBL_1509905 (CHEMBL3607620)	Inhibition of recombinant BACE1 (unknown origin) incubated for 80 mins using [H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-NH2] substrate by HPLC method
50046417	1	ChEMBL_1509931 (CHEMBL3607749)	Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay
50020800	1	ChEMBL_444706 (CHEMBL894947)	Inhibition of VZV thymidine kinase
50025402	1	ChEMBL_507872 (CHEMBL952569)	Inhibition of MMP2
50025402	10	ChEMBL_507873 (CHEMBL952570)	Inhibition of MMP3 catalytic domain
50025402	9	ChEMBL_507874 (CHEMBL952571)	Inhibition of MMP7
50025402	8	ChEMBL_507875 (CHEMBL952572)	Inhibition of MMP8 catalytic domain
50025402	12	ChEMBL_507878 (CHEMBL952575)	Inhibition of MMP12 catalytic domain
50025402	11	ChEMBL_507879 (CHEMBL952576)	Inhibition of MMP17 catalytic domain
50025402	3	ChEMBL_507871 (CHEMBL952568)	Inhibition of MMP1
50046417	2	ChEMBL_1509937 (CHEMBL3607755)	Inhibition of human ERG
50025402	5	ChEMBL_507870 (CHEMBL952567)	Inhibition of human recombinant MMP13 catalytic domain
50025403	2	ChEMBL_532107 (CHEMBL969426)	Inhibition of electric eel acetylcholine esterase type V-S in presence of acetylcholine substrate by chemiluminescent assay
50025403	4	ChEMBL_532109 (CHEMBL969428)	Inhibition of rat brain acetylcholine esterase in presence of acetylcholine substrate by chemiluminescent assay
50025403	1	ChEMBL_532110 (CHEMBL969429)	Inhibition of rat plasma butyrylcholine esterase in presence of butyrylcholine substrate by chemiluminescent assay
50025403	3	ChEMBL_532108 (CHEMBL969427)	Inhibition of horse serum butyrylcholine esterase in presence of acetylcholine substrate by chemiluminescent assay
50046417	3	ChEMBL_1509935 (CHEMBL3607753)	Inhibition of CYP3A4 (unknown origin)
50046417	4	ChEMBL_1509932 (CHEMBL3607750)	Inhibition of mouse CD38
50046418	1	ChEMBL_1509948 (CHEMBL3607766)	Inhibition of RSK2 in mouse BAF cells expressing activated FGFR assessed as reduction of YB1 phosphorylation at Ser102 by electochemiluminescence assay
50046418	2	ChEMBL_1509947 (CHEMBL3607765)	Inhibition of human recombinant Histidine-tagged RSK2 using biotin-AGAGRSRHSSYPAGT-OH as substrate preincubated for 30 mins followed by ATP and substrate addition measured after 180 mins by AlphaScreen assay
50020807	1	ChEMBL_456953 (CHEMBL924315)	Agonist activity at human PPARgamma expressed in NIH3T3 cells by GAL4 transactivation assay
50020809	2	ChEMBL_448717 (CHEMBL897863)	Agonist activity at human 5HT6 expressed in HeLa cells assessed as intracellular cAMP level by radioimmunoassay
50020809	3	ChEMBL_448716 (CHEMBL897862)	Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells
50020809	1	ChEMBL_448718 (CHEMBL897864)	Antagonist activity at human 5HT6 expressed in HeLa cells assessed as intracellular cAMP level by radioimmunoassay
50020813	3	ChEMBL_444758 (CHEMBL895005)	Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells
50020813	1	ChEMBL_444756 (CHEMBL895003)	Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells
50025407	2	ChEMBL_507909 (CHEMBL952530)	Activity at rat wild type GABAA alpha-1-beta-2-gamma-2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage clamp method relative to control
50025407	1	ChEMBL_507907 (CHEMBL952528)	Displacement of [3H]Ro15-1788 from rat GABAA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells after 1 hr assessed as residual binding by liquid scintillation counting
50046419	1	ChEMBL_1510113 (CHEMBL3606403)	Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-resolved FRET assay
50046419	2	ChEMBL_1510119 (CHEMBL3606409)	Inhibition of cSrc T338M mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay
50046419	3	ChEMBL_1510120 (CHEMBL3606410)	Inhibition of cSrc T338M/S345C mutant (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay
50020825	4	ChEMBL_456984 (CHEMBL923328)	Inhibition of CYP1A2
50020825	5	ChEMBL_456985 (CHEMBL923329)	Inhibition of CYP2C9
50020825	3	ChEMBL_456987 (CHEMBL923331)	Inhibition of CYP2D6
50020825	2	ChEMBL_456986 (CHEMBL923330)	Inhibition of CYP2C19
50020825	1	ChEMBL_456988 (CHEMBL923327)	Inhibition of CYP3A4
50046419	4	ChEMBL_1510118 (CHEMBL3606408)	Inhibition of wild type cSrc (251 to 533 residues) (unknown origin) pre-incubated for 30 mins before substrate and ATP addition by HTRF assay
50046420	1	ChEMBL_1510137 (CHEMBL3606427)	Inhibition of Clostridium botulinum neurotoxin type A light chain by SNAPtide assay
50046421	1	ChEMBL_1510258 (CHEMBL3606787)	Inhibition of human HGPRT by spectrophotometric assay
50046422	1	ChEMBL_1510270 (CHEMBL3606866)	Inverse agonist activity at CB2 receptor (unknown origin) expressed in HEK cells assessed as increase in cAMP production measured at 50 mins by ACTOne dye-based fluorescence assay in presence of forskolin and Ro 20-1724
50046422	2	ChEMBL_1510273 (CHEMBL3606869)	Displacement of [3H]-CP55940 from CB1 receptor in rat forebrain membranes after 1 hr by scintillation counting analysis
50046422	3	ChEMBL_1510274 (CHEMBL3606870)	Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 1 hr by scintillation counting analysis
50020828	1	ChEMBL_457012 (CHEMBL923355)	Agonist activity at human MC4R expressed in HEK293 cells assessed as cAMP accumulation
50020828	2	ChEMBL_457011 (CHEMBL923354)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50046422	4	ChEMBL_1510265 (CHEMBL3606861)	Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analysis
50046422	5	ChEMBL_1510266 (CHEMBL3606862)	Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analysis
50046422	6	ChEMBL_1510268 (CHEMBL3606864)	Inverse agonist activity at CB1 receptor (unknown origin) expressed in HEK cells assessed as increase in cAMP production measured at 50 mins by ACTOne dye-based fluorescence assay in presence of forskolin and Ro 20-1724
50046423	1	ChEMBL_1510277 (CHEMBL3606873)	Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 mins
50046423	2	ChEMBL_1510276 (CHEMBL3606872)	Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubated for 7 mins
50046423	3	ChEMBL_1510275 (CHEMBL3606871)	Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubated for 7 mins
50020836	3	ChEMBL_457025 (CHEMBL924389)	Agonist activity at human adrenergic beta-3 receptor expressed in CHO cells assessed as cAMP production
50020836	4	ChEMBL_457035 (CHEMBL924399)	Agonist activity at rat adrenergic beta-3 receptor assessed as cAMP production
50020836	2	ChEMBL_457030 (CHEMBL924394)	Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells
50046424	1	ChEMBL_1510458 (CHEMBL3607383)	Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of europium-labeled SRC1 recruitment after 1 hr by dual FRET analysis
50046424	2	ChEMBL_1510459 (CHEMBL3607384)	Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA
50046424	3	ChEMBL_1510456 (CHEMBL3607381)	Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-biphenyl]-4-yl)-methyl)benzenesulfonamide-induced europium-labeled SRC1 recruitment after 1 hr by FRET analysis
50020844	3	ChEMBL_457052 (CHEMBL923388)	Displacement of [3H]SP from human NK1 receptor expressed in CHO cells
50020844	2	ChEMBL_457068 (CHEMBL923404)	Binding affinity to NK3 receptor
50020844	1	ChEMBL_457067 (CHEMBL923403)	Binding affinity to NK2 receptor
50025412	1	ChEMBL_522624 (CHEMBL996242)	Inhibition of human cathepsin D
50025418	1	ChEMBL_532145 (CHEMBL970332)	Inhibition of bovine aorta PDE2 in presence of cGMP
50020854	1	ChEMBL_448730 (CHEMBL897876)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50020854	3	ChEMBL_448728 (CHEMBL897874)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50020854	2	ChEMBL_448729 (CHEMBL897875)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50020856	12	ChEMBL_448736 (CHEMBL897883)	Inhibition of human factor 10a
50020856	5	ChEMBL_448757 (CHEMBL897903)	Inhibition of human factor 10a in presence of tripeptide substrate at 25 degC
50020856	2	ChEMBL_448742 (CHEMBL897890)	Inhibition of human plasma kallikrein
50020856	8	ChEMBL_448747 (CHEMBL897894)	Inhibition of human tissue plasminogen activator
50020856	6	ChEMBL_448739 (CHEMBL897887)	Inhibition of human factor 11a
50020856	7	ChEMBL_448748 (CHEMBL897895)	Inhibition of human urokinase
50020856	10	ChEMBL_448746 (CHEMBL897893)	Inhibition of human Plasmin
50020856	3	ChEMBL_448744 (CHEMBL897892)	Inhibition of human thrombin
50020856	4	ChEMBL_448740 (CHEMBL897888)	Inhibition of human factor 7a
50020856	9	ChEMBL_448759 (CHEMBL896753)	Inhibition of human factor 10a in presence of prothrombin at 25 degC
50020856	11	ChEMBL_448758 (CHEMBL897904)	Inhibition of human factor 10a in presence of tripeptide substrate at 37 degC
50020856	1	ChEMBL_448760 (CHEMBL896754)	Inhibition of human factor 10a in presence of saturating prothrombin at 37 degC
50046424	4	ChEMBL_1510457 (CHEMBL3607382)	Agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as induction of europium-labeled SRC1 recruitment after 1 hr by dual FRET analysis
50046425	1	ChEMBL_1510462 (CHEMBL3607488)	Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay
50046425	2	ChEMBL_1510461 (CHEMBL3607386)	Inhibition of BTK (unknown origin)
50046425	3	ChEMBL_1510467 (CHEMBL3607493)	Inhibition of JAK2 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method
50046425	4	ChEMBL_1510466 (CHEMBL3607492)	Inhibition of c-MET (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method
50046425	5	ChEMBL_1510465 (CHEMBL3607491)	Inhibition of KDR (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method
50046425	6	ChEMBL_1510464 (CHEMBL3607490)	Inhibition of JAK3 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method
50020870	2	ChEMBL_440653 (CHEMBL889747)	Inhibition of LG-100268-induced RXRalpha transactivation
50020870	1	ChEMBL_440654 (CHEMBL889748)	Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation
50020871	2	ChEMBL_448792 (CHEMBL897938)	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation
50020871	1	ChEMBL_448791 (CHEMBL897937)	Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG-100268-induced transactivation
50020875	1	ChEMBL_444935 (CHEMBL894085)	Inhibition of human recombinant AChE
50046426	1	ChEMBL_1510493 (CHEMBL3607519)	Inhibition of 17beta-HSD3 in rat testes microsomes using [14C]-4-androstene-3,17-dione as substrate after 2 hrs
50046427	1	ChEMBL_1510663 (CHEMBL3608114)	Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting
50046427	2	ChEMBL_1510664 (CHEMBL3608115)	Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting
50020879	2	ChEMBL_440658 (CHEMBL889752)	Inhibition of human liver cathepsin B
50020879	3	ChEMBL_440661 (CHEMBL888630)	Inhibition of human liver cathepsin B pre-incubated for 24 hrs in assay buffer with DTT
50020879	6	ChEMBL_440662 (CHEMBL888631)	Inhibition of human liver cathepsin B pre-incubated for 2 hrs in buffer without DTT
50020879	7	ChEMBL_440665 (CHEMBL889762)	Inhibition of human liver cathepsin B pre-incubated for 2 hrs in non-buffer solution without DTT
50020879	9	ChEMBL_440667 (CHEMBL889764)	Inhibition of human liver cathepsin B pre-incubated for 24 hrs in non-buffer solution without DTT
50020879	5	ChEMBL_440663 (CHEMBL888632)	Inhibition of human liver cathepsin B pre-incubated for 17 hrs in buffer without DTT
50020879	8	ChEMBL_440664 (CHEMBL889761)	Inhibition of human liver cathepsin B pre-incubated for 24 hrs in buffer without DTT
50020879	10	ChEMBL_440666 (CHEMBL889763)	Inhibition of human liver cathepsin B pre-incubated for 17 hrs in non-buffer solution without DTT
50020879	1	ChEMBL_440659 (CHEMBL889753)	Inhibition of human liver cathepsin B pre-incubated for 2 hrs in assay buffer with DTT
50020879	4	ChEMBL_440660 (CHEMBL888629)	Inhibition of human liver cathepsin B pre-incubated for 17 hrs in assay buffer with DTT
50020886	2	ChEMBL_457101 (CHEMBL924477)	Displacement of [3H]WIN-35428 from DAT in rat brain
50020886	3	ChEMBL_457102 (CHEMBL924478)	Displacement of [3H]nisoxetine from NET in rat brain
50020886	4	ChEMBL_457103 (CHEMBL924479)	Displacement of [3H]citalopram from SERT in rat brain
50020886	1	ChEMBL_457100 (CHEMBL924476)	Displacement of [3H]paroxetine from SERT in rat brain
50020889	2	ChEMBL_444955 (CHEMBL894103)	Inhibition of JNK2
50020889	1	ChEMBL_444954 (CHEMBL894104)	Inhibition of Lyn
50046428	1	ChEMBL_1510679 (CHEMBL3606165)	Inhibition of human recombinant MAOA
50020891	28	ChEMBL_444998 (CHEMBL894156)	Inhibition of recombinant EMK by radiometric assay
50020891	4	ChEMBL_445019 (CHEMBL894172)	Inhibition of recombinant FGFR1 by radiometric assay
50020891	13	ChEMBL_445008 (CHEMBL894163)	Inhibition of recombinant PKCdelta by radiometric assay
50020891	18	ChEMBL_445010 (CHEMBL894165)	Inhibition of recombinant Plk1 by radiometric assay
50020891	27	ChEMBL_445013 (CHEMBL894114)	Inhibition of recombinant SRC by radiometric assay
50020891	2	ChEMBL_445017 (CHEMBL894170)	Inhibition of recombinant Flt3 by radiometric assay
50020891	12	ChEMBL_445004 (CHEMBL894161)	Inhibition of recombinant GSK3-beta by radiometric assay
50020891	17	ChEMBL_445009 (CHEMBL894164)	Inhibition of recombinant PKCgamma by radiometric assay
50020891	21	ChEMBL_445011 (CHEMBL894166)	Inhibition of recombinant Rsk2 by radiometric assay
50020891	26	ChEMBL_444999 (CHEMBL894157)	Inhibition of recombinant Chk2 by radiometric assay
50020891	16	ChEMBL_445005 (CHEMBL894119)	Inhibition of recombinant IKK-beta by radiometric assay
50046428	2	ChEMBL_1510680 (CHEMBL3606166)	Inhibition of human recombinant MAOB
50020891	11	ChEMBL_445003 (CHEMBL894160)	Inhibition of recombinant ERK2 by radiometric assay
50020891	3	ChEMBL_445018 (CHEMBL894171)	Inhibition of recombinant KDR by radiometric assay
50020891	1	ChEMBL_445016 (CHEMBL894115)	Inhibition of recombinant Flt1 by radiometric assay
50020891	15	ChEMBL_445006 (CHEMBL894120)	Inhibition of recombinant MAPKAPKA by radiometric assay
50020891	23	ChEMBL_445014 (CHEMBL894168)	Inhibition of recombinant cKit by radiometric assay
50020891	24	ChEMBL_445015 (CHEMBL894169)	Inhibition of recombinant CSF1R by radiometric assay
50020891	8	ChEMBL_445000 (CHEMBL894158)	Inhibition of recombinant Akt1 by radiometric assay
50020891	25	ChEMBL_445012 (CHEMBL894167)	Inhibition of recombinant SGK by radiometric assay
50020891	9	ChEMBL_445001 (CHEMBL894159)	Inhibition of recombinant CDC2 by radiometric assay
50020891	5	ChEMBL_445020 (CHEMBL894173)	Inhibition of recombinant EGFR by radiometric assay
50046428	3	ChEMBL_1510667 (CHEMBL3608118)	Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay
50046428	4	ChEMBL_1510666 (CHEMBL3608117)	Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay
50025428	1	ChEMBL_532146 (CHEMBL970333)	Inhibition of human PAI1 by chromogenic assay
50020906	1	ChEMBL_440685 (CHEMBL889782)	Inhibition of p38-alpha MAP kinase
50020907	1	ChEMBL_448871 (CHEMBL898017)	Inhibition of EGFR kinase autophosphorylation in A431 cells
50020907	2	ChEMBL_448884 (CHEMBL898030)	Inhibition of Src kinase
50025433	1	ChEMBL_542520 (CHEMBL1012503)	Inhibition of Escherichia coli beta-lactamase ACC4
50020909	2	ChEMBL_445191 (CHEMBL894339)	Inhibition of human recombinant aurora C kinase
50020909	1	ChEMBL_445189 (CHEMBL894337)	Inhibition of human recombinant aurora A kinase
50046429	10	ChEMBL_1510683 (CHEMBL3606169)	Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by substrate addition measured every 30 secs by microplate reader analysis
50046429	11	ChEMBL_1510692 (CHEMBL3606178)	Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in presence of NADPH, alpha-KG
50046429	7	ChEMBL_1510691 (CHEMBL3606177)	Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in presence of NADPH
50046429	8	ChEMBL_1510690 (CHEMBL3606176)	Binding affinity to recombinant human IDH1 R132H mutant expressed in Escherichia coli by isothermal titration calorimetric analysis in absence of NADPH
50020910	4	ChEMBL_445192 (CHEMBL894340)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50020910	3	ChEMBL_445201 (CHEMBL894349)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation
50020910	1	ChEMBL_445196 (CHEMBL894344)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50020910	5	ChEMBL_445194 (CHEMBL894342)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50020910	2	ChEMBL_445202 (CHEMBL894350)	Displacement of [3H]DPCPX from Wistar rat adenosine A1 receptor
50046429	9	ChEMBL_1510684 (CHEMBL3606170)	Inhibition of recombinant human IDH1 R132C mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by substrate addition measured every 30 secs by microplate reader analysis
50046429	12	ChEMBL_1510685 (CHEMBL3606171)	Inhibition of recombinant human wild type IDH1 expressed in Escherichia coli using sodium (D)-isocitrate as substrate assessed as production of NADPH
50046430	4	ChEMBL_1511238 (CHEMBL3607996)	Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK2 gene expression by Array Plate assay
50046431	1	ChEMBL_1512870 (CHEMBL3611792)	Inhibition of mouse 11beta-HSD1
50020915	1	ChEMBL_445266 (CHEMBL894412)	Inhibition of FAAH activity in Wistar rat brain
50020920	1	ChEMBL_445279 (CHEMBL893404)	Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells
50020920	2	ChEMBL_445299 (CHEMBL894439)	Antagonist activity at rat MCHR1 expressed in HEK293 cells assessed as effect on calcium mobilization
50020921	1	ChEMBL_445301 (CHEMBL894442)	Displacement of [3H]T-226296 from rat recombinant MCH1 receptor
50020921	2	ChEMBL_445304 (CHEMBL894445)	Antagonist activity at rat MCH1 receptor expressed in HEK293 cells by FLIPR calcium mobility assay
50020921	3	ChEMBL_445303 (CHEMBL894444)	Displacement of [3H]spiperone from human recombinant dopamine D2 receptor
50020921	4	ChEMBL_445302 (CHEMBL894443)	Displacement of [125I]HEAT from human recombinant adrenergic alpha-1A receptor
50020923	2	ChEMBL_445329 (CHEMBL894469)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomal membrane
50020923	1	ChEMBL_445330 (CHEMBL894470)	Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membrane
50020925	6	ChEMBL_445366 (CHEMBL895656)	Binding affinity to human 5HT2A receptor
50020925	4	ChEMBL_445356 (CHEMBL895648)	Displacement of [125I]IABN from human dopamine D2 receptor expressed in HEK293 cells
50020925	1	ChEMBL_445363 (CHEMBL895653)	Agonist activity at human dopamine D2 receptor expressed in HEK293 cells by mitogenesis assay
50020925	2	ChEMBL_445362 (CHEMBL895652)	Antagonist activity at human dopamine D3 receptor expressed in HEK293 cells by mitogenesis assay
50020925	7	ChEMBL_445365 (CHEMBL895655)	Binding affinity to human 5HT1A receptor
50020925	5	ChEMBL_445367 (CHEMBL895657)	Binding affinity to human 5HT2C receptor
50020925	9	ChEMBL_445357 (CHEMBL894567)	Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells
50020925	3	ChEMBL_445361 (CHEMBL895651)	Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells by mitogenesis assay
50020925	10	ChEMBL_445358 (CHEMBL895647)	Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 cells
50020925	8	ChEMBL_445364 (CHEMBL895654)	Agonist activity at human dopamine D3 receptor expressed in HEK293 cells by mitogenesis assay
50046431	2	ChEMBL_1512871 (CHEMBL3611793)	Inhibition of human 11beta-HSD2
50046431	3	ChEMBL_1512869 (CHEMBL3611791)	Inhibition of human 11beta-HSD1
50046432	1	ChEMBL_1512945 (CHEMBL3609984)	Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIPR assay
50046432	2	ChEMBL_1512946 (CHEMBL3609985)	Positive allosteric modulation of rat muscarinic M1 receptor expressed in CHO cells assessed as basal and acetylcholine-stimulated Ca2+ level by FLIPR assay
50020931	3	ChEMBL_445432 (CHEMBL895724)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK293 cells
50020931	2	ChEMBL_445434 (CHEMBL895726)	Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells
50020931	5	ChEMBL_445431 (CHEMBL895723)	Displacement of [3H]SCH 23390 from human dopamine D1 receptor
50020931	1	ChEMBL_445435 (CHEMBL895727)	Displacement of [3H]SCH 23390 from human dopamine D5 receptor expressed in HEK293 cells
50020931	4	ChEMBL_445433 (CHEMBL895725)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50046433	1	ChEMBL_1512947 (CHEMBL3609986)	Inhibition of ENaC in mouse M1 assessed as effect on trans epithelial electrical resistance by measuring short circuit currents by voltage-clamp based Ussing chamber assay
50046434	1	ChEMBL_1512952 (CHEMBL3609991)	Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosphorylation at Y1068 after 2 hrs by sandwich ELISA method
50046435	1	ChEMBL_1512960 (CHEMBL3610073)	Inhibition of CYP3A4 (unknown origin)
50020940	1	ChEMBL_448898 (CHEMBL898044)	Inhibition of human plasma BuChE activity
50020941	1	ChEMBL_437417 (CHEMBL906815)	Inhibition of Electrophorus electricus AChE by Ellman's method
50020941	2	ChEMBL_437418 (CHEMBL906816)	Inhibition of human BChE by Ellman's method
50020943	3	ChEMBL_448906 (CHEMBL898141)	Antagonist activity at glucocorticoid receptor expressed in L929 cells by HRE-tk luciferase assay
50020943	2	ChEMBL_448903 (CHEMBL898054)	Agonist activity at androgen receptor expressed in A549 cells by HRE-tk luciferase assay
50020944	3	ChEMBL_457129 (CHEMBL940738)	Inhibition of PDE4B
50020944	2	ChEMBL_457131 (CHEMBL940740)	Inhibition of PDE10
50046435	2	ChEMBL_1512958 (CHEMBL3610071)	Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assay
50025454	2	ChEMBL_533809 (CHEMBL966834)	Agonist activity at rat TRPA1 channel expressed in tetracycline induced HEK293 cells assessed as increase in intracellular calcium
50025454	1	ChEMBL_533813 (CHEMBL966838)	Activation of TRPA1 channel in rat dorsal root ganglion neurons assessed as increase in intracellular calcium level
50020951	1	ChEMBL_457178 (CHEMBL941652)	Inhibition of human 5-alpha reductase 1 expressed in LNCap cells
50025455	1	ChEMBL_534075 (CHEMBL974294)	Inhibition of human SGLT1 expressed in xenopus laevis oocyte assessed as inhibition of methyl-alpha-D-[14C]glucopyranoside uptake after 1 hrs
50020956	2	ChEMBL_457184 (CHEMBL941658)	Inhibition IGF1R phosphorylation in human MiaPaCa2 cells
50020956	1	ChEMBL_457183 (CHEMBL941657)	Inhibition of human IGF1R expressed in Sf21 cells by time-resolved fluorescence assay
50020957	1	ChEMBL_457192 (CHEMBL940793)	Binding affinity to adenosine A1 receptor
50020957	2	ChEMBL_457193 (CHEMBL940794)	Binding affinity to adenosine A2A receptor
50020957	3	ChEMBL_457194 (CHEMBL940795)	Binding affinity to adenosine A2B receptor
50020957	4	ChEMBL_457195 (CHEMBL940796)	Binding affinity to adenosine A3 receptor
50020961	1	ChEMBL_437429 (CHEMBL906826)	Inhibition of [3H]dopamine uptake in human wild type DAT transfected HEK293 cells
50020961	2	ChEMBL_437433 (CHEMBL905763)	Inhibition of [3H]serotonin uptake in human wild type SERT transfected HEK293 cells
50046435	3	ChEMBL_1512957 (CHEMBL3610070)	Binding affinity to human recombinant NK3R by radioligand binding assay
50020966	1	ChEMBL_445497 (CHEMBL895788)	Inhibition of recombinant HDAC1 in HeLa cells
50020966	2	ChEMBL_445500 (CHEMBL895791)	Inhibition of recombinant HDAC3
50020966	3	ChEMBL_445501 (CHEMBL895792)	Inhibition of recombinant HDAC8
50025457	1	ChEMBL_492504 (CHEMBL951367)	Binding affinity to recombinant Bcl-XL expressed in Escherichia coli BL21 by fluorescence polarization assay
50025457	2	ChEMBL_492505 (CHEMBL951368)	Binding affinity to recombinant Bcl-2 expressed in Escherichia coli BL21 by fluorescence polarization assay
50025458	1	ChEMBL_532316 (CHEMBL973239)	Inhibition of xanthine oxidase
50025461	1	ChEMBL_510885 (CHEMBL997777)	Inhibition of ALDH1
50046435	4	ChEMBL_1512961 (CHEMBL3610074)	Inhibition of CYP2D6 (unknown origin)
50046435	5	ChEMBL_1512962 (CHEMBL3610075)	Inhibition of CYP2C9 (unknown origin)
50046435	6	ChEMBL_1512963 (CHEMBL3610076)	Inhibition of CYP2C19 (unknown origin)
50046435	7	ChEMBL_1512964 (CHEMBL3610077)	Inhibition of CYP1A2 (unknown origin)
50046435	8	ChEMBL_1512965 (CHEMBL3610078)	Inhibition of human ERG
50046435	9	ChEMBL_1512994 (CHEMBL3610107)	Binding affinity to rat NK3R
50046436	1	ChEMBL_1513054 (CHEMBL3610296)	Inhibition of human ERG by IonWorks assay
50046437	1	ChEMBL_1513072 (CHEMBL3610409)	Inhibition of CCR5 assessed as reduction in fusion of effector cells expressing JRFL envelope (CCR5-tropic/CD4-dependent) with human HeLa-C14 target cells expressing CD4, CCR5, and CXCR4) by luciferase readout
50046437	2	ChEMBL_1513075 (CHEMBL3610412)	Displacement of [125I]-MIP-1beta form CCR5 (unknown origin)
50046437	3	ChEMBL_1513076 (CHEMBL3610413)	Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing effector cells (CXCR4-tropic/CD4-dependent)
50046437	4	ChEMBL_1513077 (CHEMBL3610414)	Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HIV-8x envelope (CD4-independent requiring only CXCR4 and not CD4)
50046437	5	ChEMBL_1513080 (CHEMBL3610417)	Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 dye based fluorescence depolarization assay
50046437	6	ChEMBL_1513083 (CHEMBL3610420)	Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay
50046438	1	ChEMBL_1513098 (CHEMBL3610435)	Inhibition of BRD4 (unknown origin) by alpha screen assay
50046438	2	ChEMBL_1513097 (CHEMBL3610434)	Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetry assay
50046438	3	ChEMBL_1513099 (CHEMBL3610436)	Binding affinity to BRD4 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by proprietary competition assay
50020971	2	ChEMBL_437436 (CHEMBL905766)	Inhibition of PTP1B
50020971	3	ChEMBL_437439 (CHEMBL906836)	Inhibition of SHP-1 catalytic domain
50020971	1	ChEMBL_437440 (CHEMBL906837)	Inhibition of yeast PTP1
50020971	4	ChEMBL_437438 (CHEMBL906835)	Inhibition of TC-PTP
50020972	1	ChEMBL_457215 (CHEMBL940816)	Inhibition of tyrosinase in Melan-a cells
50046438	4	ChEMBL_1513100 (CHEMBL3610437)	Binding affinity to PLK1 (unknown origin) expressed in HEK293 cells after 1 hr by proprietary competition assay
50020980	1	ChEMBL_445682 (CHEMBL895970)	Inhibition of steroid sulfatase in placental microsomes
50025465	1	ChEMBL_532345 (CHEMBL973268)	Inhibition of maize histone deacetylase 1B
50025469	1	ChEMBL_565320 (CHEMBL955161)	Inhibition of Brucella suis histidinol dehydrogenase
50025479	1	ChEMBL_534344 (CHEMBL978816)	Displacement of [125I]beta-CIT from human SERT in human platelet membrane in presence of 5 uM ibogaine
50025479	3	ChEMBL_534335 (CHEMBL977945)	Inhibition of [3H]5HT uptake at rat SERT expressed in HeLa cells
50025479	4	ChEMBL_534336 (CHEMBL977946)	Displacement of [125I]beta-CIT from rat SERT expressed in HeLa cells
50025479	2	ChEMBL_534343 (CHEMBL978815)	Displacement of [125I]beta-CIT from human SERT in human platelet plasma membrane
50020986	1	ChEMBL_457221 (CHEMBL940822)	Antagonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay
50020986	4	ChEMBL_457219 (CHEMBL940820)	Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay
50020986	2	ChEMBL_457223 (CHEMBL940824)	Antagonist activity at glucocorticoid receptor by transactivation assay
50020986	3	ChEMBL_457222 (CHEMBL940823)	Antagonist activity at progesterone receptor by transactivation assay
50020987	2	ChEMBL_445752 (CHEMBL896043)	Binding affinity to human NET expressed in HEK293 cells
50020987	1	ChEMBL_445751 (CHEMBL896042)	Binding affinity to human DAT expressed in HEK293 cells
50020987	3	ChEMBL_445750 (CHEMBL896041)	Binding affinity to human SERT expressed in HEK293 cells
50020988	6	ChEMBL_445832 (CHEMBL896126)	Inhibition of human recombinant PTP1B
50020988	8	ChEMBL_445833 (CHEMBL896127)	Inhibition of human recombinant TCPTP
50020988	7	ChEMBL_445842 (CHEMBL896136)	Inhibition of CYP2C8
50020988	10	ChEMBL_445838 (CHEMBL896132)	Inhibition of CYP2C9
50020988	9	ChEMBL_445840 (CHEMBL896134)	Inhibition of CYP3A4
50020988	3	ChEMBL_445834 (CHEMBL896128)	Inhibition of human recombinant CD45
50020988	4	ChEMBL_445835 (CHEMBL896129)	Inhibition of human recombinant LAR
50020988	1	ChEMBL_445836 (CHEMBL896130)	Inhibition of CYP1A2
50020988	11	ChEMBL_445839 (CHEMBL896133)	Inhibition of CYP2D6
50020988	2	ChEMBL_445837 (CHEMBL896131)	Inhibition of CYP2C19
50025482	1	ChEMBL_532352 (CHEMBL973275)	Inhibition of xanthine oxidase assessed as uric acid formation by spectrophotometry
50020992	1	ChEMBL_457234 (CHEMBL941720)	Agonist activity at human TPOr expressed in BaF3 cells by reporter assay
50025486	1	ChEMBL_510894 (CHEMBL997786)	Inhibition of CDK2
50046439	1	ChEMBL_1513203 (CHEMBL3610815)	Inhibition of XIAP BIR3 domain (unknown origin)
50046439	2	ChEMBL_1513204 (CHEMBL3610816)	Inhibition of cIAP BIR2-3 domain (unknown origin)
50046439	3	ChEMBL_1513205 (CHEMBL3610817)	Inhibition of XIAP (unknown origin) by caspase-3 rescue assay
50046439	4	ChEMBL_1513206 (CHEMBL3610818)	Inhibition of human CYP1A2
50046439	5	ChEMBL_1513207 (CHEMBL3610819)	Inhibition of human CYP2B6
50046439	6	ChEMBL_1513208 (CHEMBL3610820)	Inhibition of human CYP2C8
50046439	7	ChEMBL_1513209 (CHEMBL3610821)	Inhibition of human CYP2C9
50046439	8	ChEMBL_1513210 (CHEMBL3610822)	Inhibition of human CYP2D6
50020996	3	ChEMBL_457248 (CHEMBL941734)	Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA
50020996	2	ChEMBL_457249 (CHEMBL941735)	Binding to high affinity site of human serum albumin
50020996	1	ChEMBL_457250 (CHEMBL941736)	Binding to low affinity site of human serum albumin
50025489	3	ChEMBL_520603 (CHEMBL959525)	Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter
50025489	1	ChEMBL_520602 (CHEMBL959524)	Inhibition of Trypanosoma cruzi squalene synthase
50025489	2	ChEMBL_520604 (CHEMBL959526)	Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter
50046439	9	ChEMBL_1513211 (CHEMBL3610823)	Inhibition of human CYP3A4
50025490	1	ChEMBL_520656 (CHEMBL962725)	Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158
50025490	2	ChEMBL_520659 (CHEMBL965223)	Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-1
50046439	10	ChEMBL_1513212 (CHEMBL3610824)	Activation of PXR (unknown origin) by receptor transactivation assay
50046440	1	ChEMBL_1513386 (CHEMBL3611426)	Inhibition of recombinant human PAK1 by Z'-LYTE assay
50046440	2	ChEMBL_1513385 (CHEMBL3611425)	Inhibition of PAK6 (unknown origin) using peptide 7 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay
50046440	3	ChEMBL_1513384 (CHEMBL3611424)	Inhibition of PAK5 (unknown origin) using peptide 7 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay
50046440	4	ChEMBL_1513383 (CHEMBL3611423)	Inhibition of N-terminal His6-tagged recombinant human PAK4 kinase domain (300 to 591) using peptide 7 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay
50046440	5	ChEMBL_1513382 (CHEMBL3611422)	Inhibition of PAK3 (unknown origin)
50046440	6	ChEMBL_1513381 (CHEMBL3611421)	Inhibition of PAK2 (unknown origin)
50046440	7	ChEMBL_1513380 (CHEMBL3611420)	Inhibition of PAK1 (unknown origin) using Syntide2 peptide as substrate by pyruvate kinase/lactate dehydrogenase coupled assay
50046440	8	ChEMBL_1513235 (CHEMBL3610943)	Inhibition of recombinant human muscarinic M1 receptor
50046440	9	ChEMBL_1513234 (CHEMBL3610942)	Inhibition of recombinant human histamine H1 receptor
50046440	10	ChEMBL_1513233 (CHEMBL3610941)	Binding affinity to PAK6 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis
50046440	11	ChEMBL_1513232 (CHEMBL3610940)	Binding affinity to PAK4 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis
50046440	12	ChEMBL_1513231 (CHEMBL3610939)	Binding affinity to PAK3 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis
50046440	13	ChEMBL_1513230 (CHEMBL3610938)	Binding affinity to PAK2 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis
50046440	14	ChEMBL_1513229 (CHEMBL3610937)	Binding affinity to PAK1 (unknown origin) expressed in HEK293 cells after 1 hr by qPCR analysis
50046440	15	ChEMBL_1513228 (CHEMBL3610936)	Inhibition of PAK1 (unknown origin) in presence of 150 uM of ATP
50025500	1	ChEMBL_510899 (CHEMBL997791)	Inhibition of COX2
50025501	3	ChEMBL_529471 (CHEMBL977794)	Displacement of [125I]MCP1 from CCR2 expressed in CHOK1 cells
50025501	4	ChEMBL_529472 (CHEMBL977795)	Displacement of [125I]SDF1alpha from CXCR4 expressed in CHOK1 cells
50025501	1	ChEMBL_529473 (CHEMBL977796)	Displacement of [125I]MCP1 from CCR2/CXCR4 expressed in CHOK1 cells
50025501	2	ChEMBL_529474 (CHEMBL977797)	Displacement of [125I]SDF1alpha from CCR2/CXCR4 expressed in CHOK1 cells
50021005	2	ChEMBL_448967 (CHEMBL899230)	Inhibition of cAPK Calpha in presence of 1 mM ATP
50021005	1	ChEMBL_448968 (CHEMBL899231)	Inhibition of cAPK Calpha in presence of 0.1 mM ATP
50025504	3	ChEMBL_510903 (CHEMBL1006447)	Inhibition of human recombinant MMP1
50025504	4	ChEMBL_510904 (CHEMBL1006448)	Inhibition of human recombinant MMP2
50025504	1	ChEMBL_510905 (CHEMBL1006449)	Inhibition of human recombinant MMP3
50025504	2	ChEMBL_510906 (CHEMBL1007240)	Inhibition of human recombinant MMP7
50025504	5	ChEMBL_510907 (CHEMBL1007241)	Inhibition of human recombinant MMP8
50046440	16	ChEMBL_1513227 (CHEMBL3610935)	Inhibition of PAK1 (unknown origin) in presence of 15 uM of ATP
50046440	17	ChEMBL_1513226 (CHEMBL3610934)	Inhibition of PAK1 (unknown origin) in presence of 1.5 uM of ATP
50046440	18	ChEMBL_1513225 (CHEMBL3610933)	Inhibition of wild type phosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by Caliper assay
50046440	19	ChEMBL_1513224 (CHEMBL3610932)	Inhibition of wild type dephosphorylated form of PAK1 (249 to 545) (unknown origin) expressed in Escherichia coli using 5-Fluo-Ahx-AKRRRLSSLRA-COOH as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by Caliper assay
50021011	1	ChEMBL_457263 (CHEMBL940859)	Displacement of [125]MCP1 from CCR2 in human PBMCs
50021011	2	ChEMBL_457268 (CHEMBL940864)	Displacement of [125I]eotaxin from human CCR3 expressed in CHO cells
50021011	4	ChEMBL_457267 (CHEMBL940863)	Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis
50021011	3	ChEMBL_457266 (CHEMBL940862)	Antagonist activity at CCR2 in THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux
50021012	2	ChEMBL_449058 (CHEMBL899316)	Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50021012	4	ChEMBL_449057 (CHEMBL899315)	Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50046440	20	ChEMBL_1513397 (CHEMBL3611552)	Inhibition of full length human PAK6 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis
50046440	21	ChEMBL_1513396 (CHEMBL3611551)	Inhibition of full length PAK5 (unknown origin) expressed in HEK293 cells assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis
50046440	22	ChEMBL_1513395 (CHEMBL3611550)	Inhibition of PAK4 kinase domain (300 to 591) (unknown origin) assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis
50046440	23	ChEMBL_1513394 (CHEMBL3611549)	Non-ATP competitive inhibition of full-length human PAK1 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP and [32P]-gamma-ATP addition measured after 20 mins by scintillation counting analysis
50046440	24	ChEMBL_1513393 (CHEMBL3611548)	Inhibition of full length PAK4 (unknown origin) by Z'-LYTE assay
50046440	25	ChEMBL_1513392 (CHEMBL3611547)	Inhibition of full length PAK3 (unknown origin) by Z'-LYTE assay
50046440	26	ChEMBL_1513391 (CHEMBL3611546)	Inhibition of full length PAK2 (unknown origin) by Z'-LYTE assay
50046440	27	ChEMBL_1513390 (CHEMBL3611430)	Inhibition of full length PAK1 (unknown origin) by Z'-LYTE assay
50046440	28	ChEMBL_1513389 (CHEMBL3611429)	Inhibition of recombinant human PAK4 by Z'-LYTE assay
50046440	29	ChEMBL_1513388 (CHEMBL3611428)	Inhibition of recombinant human PAK3 by Z'-LYTE assay
50046440	30	ChEMBL_1513387 (CHEMBL3611427)	Inhibition of recombinant human PAK2 by Z'-LYTE assay
50046441	1	ChEMBL_1513413 (CHEMBL3611568)	Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	2	ChEMBL_1513398 (CHEMBL3611553)	Inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	3	ChEMBL_1513414 (CHEMBL3611569)	Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis
50046441	4	ChEMBL_1513412 (CHEMBL3611567)	Inhibition of phosphatase activity of human LMWPTP using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	5	ChEMBL_1513411 (CHEMBL3611566)	Inhibition of phosphatase activity of human CDC14A using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	6	ChEMBL_1513410 (CHEMBL3611565)	Inhibition of phosphatase activity of human VHR using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	7	ChEMBL_1513409 (CHEMBL3611564)	Inhibition of phosphatase activity of human LAR using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	8	ChEMBL_1513408 (CHEMBL3611563)	Inhibition of phosphatase activity of human PTPmu using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	9	ChEMBL_1513407 (CHEMBL3611562)	Inhibition of phosphatase activity of human PTPgamma using pNPP as a substrate after 10 mins by spectrophotometer analysis
50021013	1	ChEMBL_449063 (CHEMBL898268)	Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells
50021013	2	ChEMBL_449064 (CHEMBL898269)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes
50021018	2	ChEMBL_445955 (CHEMBL896248)	Agonist activity at rat mGluR6 receptor expressed HEK293 cells assessed as effect on inositol phosphate production
50021018	3	ChEMBL_445956 (CHEMBL896249)	Agonist activity at rat mGluR7 receptor expressed HEK293 cells assessed as effect on inositol phosphate production
50021018	1	ChEMBL_445957 (CHEMBL896250)	Agonist activity at rat mGluR8 receptor expressed HEK293 cells assessed as effect on inositol phosphate production
50021018	4	ChEMBL_445954 (CHEMBL896247)	Agonist activity at rat mGluR4 receptor expressed HEK293 cells assessed as effect on inositol phosphate production
50046441	10	ChEMBL_1513406 (CHEMBL3611561)	Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis
50021019	5	ChEMBL_445968 (CHEMBL896267)	Inhibition of human liver MAOA expressed in yeast
50021019	2	ChEMBL_445973 (CHEMBL896272)	Inhibition of human recombinant CYP3A4
50021019	6	ChEMBL_445969 (CHEMBL896268)	Inhibition of human recombinant CYP1A2
50021019	3	ChEMBL_445972 (CHEMBL896271)	Inhibition of human recombinant CYP2D6
50021019	1	ChEMBL_445970 (CHEMBL896269)	Inhibition of human recombinant CYP2C9
50021019	4	ChEMBL_445971 (CHEMBL896270)	Inhibition of human recombinant CYP2C19
50046441	11	ChEMBL_1513405 (CHEMBL3611560)	Inhibition of phosphatase activity of human PTPbeta using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	12	ChEMBL_1513404 (CHEMBL3611559)	Inhibition of phosphatase activity of human PTPalpha using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	13	ChEMBL_1513403 (CHEMBL3611558)	Inhibition of phosphatase activity of human Meg2 using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	14	ChEMBL_1513402 (CHEMBL3611557)	Inhibition of phosphatase activity of human HePTP using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	15	ChEMBL_1513401 (CHEMBL3611556)	Inhibition of phosphatase activity of human LYP using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	16	ChEMBL_1513400 (CHEMBL3611555)	Inhibition of phosphatase activity of human PTP1B using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046441	17	ChEMBL_1513399 (CHEMBL3611554)	Inhibition of phosphatase activity of human SHP1 using pNPP as a substrate after 10 mins by spectrophotometer analysis
50046442	1	ChEMBL_1513553 (CHEMBL3610010)	Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay
50046443	1	ChEMBL_1513724 (CHEMBL3610834)	Inhibition of DDR2 (unknown origin) after 1 hr by time resolved fluorescence method
50046443	2	ChEMBL_1513726 (CHEMBL3610836)	Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method
50046443	3	ChEMBL_1513844 (CHEMBL3611266)	Inhibition of c-Kit (unknown origin) using biotinylated HER2 peptide as substrate by time resolved fluorescence method
50046443	4	ChEMBL_1513854 (CHEMBL3611276)	Inhibition of collagen I-induced DDR2 (unknown origin) phosphorylation expressed in HEK293 cells after 16 hrs by mesoscale discovery assay
50046444	1	ChEMBL_1513879 (CHEMBL3611444)	Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay
50046444	2	ChEMBL_1513880 (CHEMBL3611445)	Inhibition of full length human carbonic anhydrase-2 by stopped-flow CO2 hydration assay
50046444	3	ChEMBL_1513881 (CHEMBL3611446)	Inhibition of human recombinant carbonic anhydrase-9 catalytic domain by stopped-flow CO2 hydration assay
50046444	4	ChEMBL_1513882 (CHEMBL3611447)	Inhibition of human recombinant carbonic anhydrase-12 catalytic domain by stopped-flow CO2 hydration assay
50046445	1	ChEMBL_1513891 (CHEMBL3611456)	Inhibition of Staphylococcus aureus DNA topoisomerase 4
50046445	2	ChEMBL_1513890 (CHEMBL3611455)	Inhibition of Staphylococcus aureus DNA gyrase
50046446	1	ChEMBL_1511996 (CHEMBL3610609)	Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by KinaseGlo luminescence assay
50046446	2	ChEMBL_1511997 (CHEMBL3610610)	Inhibition of PI3Kbeta (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by KinaseGlo luminescence assay
50046446	3	ChEMBL_1511998 (CHEMBL3610611)	Inhibition of PI3Kgamma (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay
50046446	4	ChEMBL_1511999 (CHEMBL3610612)	Inhibition of PI3Kdelta (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay
50046446	5	ChEMBL_1512000 (CHEMBL3610613)	Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA
50021021	2	ChEMBL_446047 (CHEMBL895117)	Inhibition of Src
50046446	6	ChEMBL_1512001 (CHEMBL3610614)	Inhibition of N-terminal myristoylated human PI3Kbeta expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA
50021022	1	ChEMBL_449073 (CHEMBL899333)	Antagonistic activity at rat mGluR5 expressed in CHO cells assessed as inhibition of quisqualate stimulated calcium mobilization by FLIPR technology
50021026	2	ChEMBL_449086 (CHEMBL899346)	Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serum
50021026	5	ChEMBL_449090 (CHEMBL899350)	Inhibition of human CYP2C9
50021026	3	ChEMBL_449088 (CHEMBL899348)	Inhibition of human CYP3A4
50021026	1	ChEMBL_449085 (CHEMBL899345)	Displacement of [125I]SP from human NK1 receptor expressed in CHO cells
50021026	4	ChEMBL_449089 (CHEMBL899349)	Inhibition of human CYP2D6
50025507	3	ChEMBL_534115 (CHEMBL985172)	Inhibition of rat Nav1.1 channel expressed in Xenopus oocytes by whole cell voltage clamp technique
50025507	4	ChEMBL_534116 (CHEMBL985173)	Inhibition of rat Nav1.2 channel expressed in Xenopus oocytes by whole cell voltage clamp technique
50025507	5	ChEMBL_534117 (CHEMBL985174)	Inhibition of rat Nav1.3 channel expressed in Xenopus oocytes by whole cell voltage clamp technique
50025507	1	ChEMBL_534118 (CHEMBL985175)	Inhibition of rat Nav1.4 channel expressed in Xenopus oocytes by whole cell voltage clamp technique
50025507	2	ChEMBL_534119 (CHEMBL985176)	Inhibition of rat Nav1.5 channel expressed in Xenopus oocytes by whole cell voltage clamp technique
50025507	6	ChEMBL_534120 (CHEMBL985177)	Inhibition of rat Nav1.7 channel expressed in Xenopus oocyte by whole cell voltage clamp technique
50046446	7	ChEMBL_1512002 (CHEMBL3610615)	Inhibition of N-terminal myristoylated human PI3Kgamma expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA
50046446	8	ChEMBL_1512022 (CHEMBL3610734)	Inhibition of PI4Kbeta (unknown origin)
50046446	9	ChEMBL_1512023 (CHEMBL3610735)	Inhibition of Vps34 (unknown origin)
50021033	1	ChEMBL_446063 (CHEMBL895158)	Inhibition of human KSP motor domain by ATPase assay
50046446	10	ChEMBL_1512016 (CHEMBL3610728)	Inhibition of dofetilide binding to human ERG
50046447	1	ChEMBL_1512202 (CHEMBL3611484)	Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate
50046447	2	ChEMBL_1512200 (CHEMBL3611482)	Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPA substrate
50046447	3	ChEMBL_1512201 (CHEMBL3611483)	Inhibition of Malassezia globosa CBS 7966 LIP1 incubated for 1 hr using monoolein substrate
50046448	1	ChEMBL_1508710 (CHEMBL3602973)	Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50021039	8	ChEMBL_449159 (CHEMBL899424)	Inhibition of recombinant HDAC1
50021039	5	ChEMBL_449184 (CHEMBL899449)	Activity against human dopamine transporter
50021039	3	ChEMBL_449163 (CHEMBL899428)	Inhibition of recombinant HDAC8
50021039	6	ChEMBL_449179 (CHEMBL899444)	Binding affinity to human ERG
50021039	12	ChEMBL_449183 (CHEMBL899448)	Activity against human MAPK3
50021039	9	ChEMBL_449180 (CHEMBL899445)	Inhibition of CYP3A4
50021039	7	ChEMBL_449185 (CHEMBL899450)	Activity against human serotonin transporter
50021039	1	ChEMBL_449161 (CHEMBL899426)	Inhibition of recombinant HDAC3
50021039	2	ChEMBL_449160 (CHEMBL899425)	Inhibition of recombinant HDAC2
50021039	11	ChEMBL_449182 (CHEMBL899447)	Inhibition of CYP2D6
50021039	10	ChEMBL_449181 (CHEMBL899446)	Inhibition of CYP2C9
50021039	4	ChEMBL_449162 (CHEMBL899427)	Inhibition of recombinant HDAC6
50021040	2	ChEMBL_449193 (CHEMBL899458)	Inhibition of gamma-secretase assessed as reduction of membrane A-beta-40 level
50021040	1	ChEMBL_449195 (CHEMBL899460)	Inhibition of gamma-secretase assessed as reduction of cell A-beta-40 level
50046448	2	ChEMBL_1508712 (CHEMBL3602975)	Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50021042	2	ChEMBL_449205 (CHEMBL898408)	Inhibition of KSP by ATPase assay
50021042	1	ChEMBL_449214 (CHEMBL899477)	Binding affinity to human ERG in HEK cells
50021048	3	ChEMBL_446075 (CHEMBL895170)	Inhibition of MGL in rat cerebellum cytosolic fractions assessed as [3H]2-oleoylglycerol hydrolysis
50021048	1	ChEMBL_446079 (CHEMBL895174)	Inhibition of FAAH in rat cerebellum membranes assessed as [3H]anandamide hydrolysis
50021048	2	ChEMBL_446076 (CHEMBL895171)	Inhibition of MGL in rat cerebellum membrane fractions assessed as [3H]2-oleoylglycerol hydrolysis
50021050	1	ChEMBL_457307 (CHEMBL941840)	Inhibition of GSK3-beta at 5 uM
50021051	1	ChEMBL_449233 (CHEMBL899495)	Displacement of [3H]DHT from human recombinant AR expressed in Sf9 cells
50021051	3	ChEMBL_449234 (CHEMBL899496)	Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay
50021051	2	ChEMBL_449235 (CHEMBL899497)	Binding affinity at human PR
50021055	1	ChEMBL_449250 (CHEMBL899512)	Inhibition of ovine COX2 by enzyme immuno assay
50021055	2	ChEMBL_449249 (CHEMBL899511)	Inhibition of ovine COX1 by enzyme immuno assay
50021059	1	ChEMBL_449278 (CHEMBL899540)	Binding affinity at rat SERT
50021059	2	ChEMBL_449279 (CHEMBL899541)	Binding affinity at human SERT
50021059	3	ChEMBL_449280 (CHEMBL899542)	Binding affinity at human histamine H3
50021061	4	ChEMBL_457315 (CHEMBL941848)	Displacement of [3H]SCH23990 from dopamine D1 receptor in pig striatal membrane
50021061	2	ChEMBL_457316 (CHEMBL941849)	Displacement of [3H]spiperone from dopamine D2short receptor in CHO cells
50021061	1	ChEMBL_457318 (CHEMBL941851)	Displacement of [3H]spiperone from dopamine D3 receptor in CHO cells
50021061	3	ChEMBL_457317 (CHEMBL941850)	Displacement of [3H]spiperone from dopamine D2long receptor in CHO cells
50021062	2	ChEMBL_457330 (CHEMBL941863)	Inhibition of Plasmodium falciparum FabI in presence of variable crotonyl-coA level
50021062	1	ChEMBL_457331 (CHEMBL941864)	Inhibition of Plasmodium falciparum FabI in presence of variable NADH levels
50021069	3	ChEMBL_457335 (CHEMBL940926)	Displacement of [3H]racemic CP-101606 from rat NR2B receptor in P2 membrane
50021069	1	ChEMBL_457338 (CHEMBL940929)	Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells
50021069	2	ChEMBL_457336 (CHEMBL940927)	Displacement of [3H]bufuralol from CYP2D6
50021070	2	ChEMBL_457343 (CHEMBL940934)	Displacement of [3H]racemic CP-101606 from rat NR2B receptor in P2 membrane
50021070	1	ChEMBL_457346 (CHEMBL940937)	Inhibition of hERG
50046448	3	ChEMBL_1508702 (CHEMBL3602965)	Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC1 receptor expressed in HEK293 cells after 40 mins by luminescence counting
50021074	2	ChEMBL_457373 (CHEMBL940964)	Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells
50021074	1	ChEMBL_457372 (CHEMBL940963)	Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells
50046448	4	ChEMBL_1508704 (CHEMBL3602967)	Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC3 receptor expressed in HEK293 cells after 40 mins by luminescence counting
50046448	5	ChEMBL_1508782 (CHEMBL3603191)	Antagonist activity at human MC1 receptor expressed in A375 cells assessed as inhibition of MT-II-induced intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50046448	6	ChEMBL_1508784 (CHEMBL3603193)	Agonist activity at human MC1 receptor expressed in A375 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50021076	1	ChEMBL_457382 (CHEMBL941901)	Displacement of [3H]serotonin from human SERT expressed in HeLa cells
50021078	2	ChEMBL_457386 (CHEMBL941905)	Antagonist activity at human MC5R assessed as stimulation of cAMP production
50021078	4	ChEMBL_457384 (CHEMBL941903)	Antagonist activity at human MC4R assessed as stimulation of cAMP production
50046448	7	ChEMBL_1508714 (CHEMBL3602977)	Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50046448	8	ChEMBL_1508716 (CHEMBL3602979)	Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation using [3H]-cAMP by luminescence counting
50021079	1	ChEMBL_449356 (CHEMBL899623)	Displacement of [3H]CP-101606 from NR2B in rat forebrain P2 membrane
50021079	2	ChEMBL_449357 (CHEMBL899624)	Displacement of [3H]dofetilide from human HERG expressed in HEK293 cells
50046448	9	ChEMBL_1508708 (CHEMBL3602971)	Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC5 receptor expressed in HEK293 cells after 40 mins by luminescence counting
50021093	1	ChEMBL_457431 (CHEMBL941003)	Inhibition of human PARP1
50021094	1	ChEMBL_457440 (CHEMBL941012)	Binding affinity at hERG expressed in human embryonic kidney cells
50021095	4	ChEMBL_449388 (CHEMBL899646)	Binding affinity at human adrenergic beta-1 receptor
50046448	10	ChEMBL_1508706 (CHEMBL3602969)	Displacement of [125I]-[Nle4,D-Phe7]-alpha-MSH from human MC4 receptor expressed in HEK293 cells after 40 mins by luminescence counting
50021099	2	ChEMBL_457441 (CHEMBL941013)	Inhibition of kinesin spindle protein
50021099	1	ChEMBL_457444 (CHEMBL941016)	Inhibition of hERG expressed in HEK cells
50025526	1	ChEMBL_511021 (CHEMBL999637)	Inhibition of rat mGluR1
50046449	1	ChEMBL_1508786 (CHEMBL3603195)	Inhibition of human microsomal CYP1A1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution
50046449	2	ChEMBL_1508787 (CHEMBL3603196)	Inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution
50021112	1	ChEMBL_457476 (CHEMBL941994)	Inhibition of COX2
50046449	3	ChEMBL_1508788 (CHEMBL3603197)	Inhibition of human microsomal CYP1B1-dependent ethoxyresorufin-O-deethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution
50021113	10	ChEMBL_449485 (CHEMBL899757)	Inhibition of microsomal CYP3A4
50021113	8	ChEMBL_449486 (CHEMBL899758)	Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assay
50021113	3	ChEMBL_449492 (CHEMBL899760)	Binding affinity at rat MC4R
50021113	9	ChEMBL_449509 (CHEMBL899776)	Agonist activity at ghrelin receptor
50021113	1	ChEMBL_449493 (CHEMBL899761)	Binding affinity at human MC5R
50021113	6	ChEMBL_449489 (CHEMBL899753)	Binding affinity at mouse MC3R
50046449	4	ChEMBL_1508797 (CHEMBL3603206)	Time-dependent inhibition of human microsomal CYP1A2-dependent methoxyresorufin-O-demethylase activity by spectrofluorimetric analysis in presence of NADPH regenerating solution
50046450	1	ChEMBL_1508808 (CHEMBL3603280)	Inhibition of yeast alpha-glucosidase using p-NPG as substrate
50046401	47	ChEMBL_1510343 (CHEMBL3607093)	Inhibition of carbonic anhydrase-2 (unknown origin)
50046401	62	ChEMBL_1510338 (CHEMBL3607088)	Inhibition of CDK6 (unknown origin)
50046451	6	ChEMBL_1510356 (CHEMBL3607106)	Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK induction
50046451	4	ChEMBL_1510358 (CHEMBL3607108)	Antagonist activity at CCR9 receptor (unknown origin) by serum chemotaxis assay
50046451	5	ChEMBL_1510357 (CHEMBL3607107)	Antagonist activity at CCR9 receptor (unknown origin) by buffer chemotaxis assay
50021117	2	ChEMBL_449532 (CHEMBL899800)	Inhibition of human cathepsin S
50021117	1	ChEMBL_449533 (CHEMBL899801)	Inhibition of cathepsin S in human JY cells by invariant chain degradation assay
50021119	1	ChEMBL_449549 (CHEMBL899815)	Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method
50021119	3	ChEMBL_449547 (CHEMBL899813)	Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method
50021119	2	ChEMBL_449548 (CHEMBL899814)	Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method
50021120	2	ChEMBL_446131 (CHEMBL895226)	Inhibition of rat brain mitochondria MAOA by radioenzymatic assay
50021120	1	ChEMBL_446132 (CHEMBL895227)	Inhibition of rat brain mitochondria MAOB by radioenzymatic assay
50021122	1	ChEMBL_457557 (CHEMBL922757)	Displacement of [125I]Ang 2 from AT1 receptor in rat liver membranes
50021124	1	ChEMBL_457561 (CHEMBL922761)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1
50021126	11	ChEMBL_449556 (CHEMBL899826)	Inhibition of Tie2
50021126	4	ChEMBL_449572 (CHEMBL899823)	Inhibition of ALK5
50021126	12	ChEMBL_449557 (CHEMBL899827)	Inhibition of IGFR1
50021126	1	ChEMBL_449560 (CHEMBL899830)	Inhibition of KIT
50021126	16	ChEMBL_449559 (CHEMBL899829)	Inhibition of FLT3
50021126	5	ChEMBL_449569 (CHEMBL899839)	Inhibition of cFMS
50021126	2	ChEMBL_449561 (CHEMBL899831)	Inhibition of PDGFRalpha
50021126	13	ChEMBL_449562 (CHEMBL899832)	Inhibition of PDGFRbeta
50021126	6	ChEMBL_449566 (CHEMBL899836)	Inhibition of Abl kinase
50021126	3	ChEMBL_449570 (CHEMBL899840)	Inhibition of CDK2
50021126	8	ChEMBL_449564 (CHEMBL899834)	Inhibition of FGFR1
50021126	9	ChEMBL_449573 (CHEMBL899824)	Inhibition of AKT1
50021126	7	ChEMBL_449567 (CHEMBL899837)	Inhibition of PKCbeta1
50021126	10	ChEMBL_449565 (CHEMBL899835)	Inhibition of MET
50021126	15	ChEMBL_449563 (CHEMBL899833)	Inhibition of VEGFR2
50021127	2	ChEMBL_449579 (CHEMBL897620)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50021127	1	ChEMBL_449578 (CHEMBL897619)	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells
50021129	3	ChEMBL_457563 (CHEMBL922763)	Inhibition of rat cloned sPLA2-1B expressed in HEK293 cells
50021129	2	ChEMBL_457565 (CHEMBL922765)	Inhibition of human cloned sPLA2-10 expressed in HEK293 cells
50046414	114	ChEMBL_1510770 (CHEMBL3606465)	Inhibition of human VEGFR2
50046414	111	ChEMBL_1510601 (CHEMBL3607949)	Inhibition of human AUR2
50046414	91	ChEMBL_1510761 (CHEMBL3606456)	Inhibition of human PKAalpha
50046414	68	ChEMBL_1510622 (CHEMBL3607970)	Inhibition of human JAK3
50046414	116	ChEMBL_1510618 (CHEMBL3607966)	Inhibition of human IKK2
50046414	89	ChEMBL_1510635 (CHEMBL3608086)	Inhibition of human PAK4
50046414	100	ChEMBL_1510566 (CHEMBL3607801)	Inhibition of CYP2B6 in human liver microsomes after 20 mins by LC-MS/MS analysis
50046414	122	ChEMBL_1510614 (CHEMBL3607962)	Inhibition of human FLT3
50046414	120	ChEMBL_1510610 (CHEMBL3607958)	Inhibition of human ERK2
50046414	83	ChEMBL_1510631 (CHEMBL3607979)	Inhibition of human MST4
50046414	96	ChEMBL_1510609 (CHEMBL3607957)	Inhibition of human EGFR1
50046414	80	ChEMBL_1510599 (CHEMBL3607947)	Inhibition of human ALK
50046414	73	ChEMBL_1510626 (CHEMBL3607974)	Inhibition of human MAPKAPK2
50046414	88	ChEMBL_1510636 (CHEMBL3608087)	Inhibition of human PDGFRb
50046414	87	ChEMBL_1510758 (CHEMBL3606453)	Inhibition of human PERK
50046414	81	ChEMBL_1510632 (CHEMBL3607980)	Inhibition of human NEK6
50046414	117	ChEMBL_1510617 (CHEMBL3607965)	Inhibition of human IGFR1
50046414	76	ChEMBL_1510623 (CHEMBL3607971)	Inhibition of human KIT
50046414	92	ChEMBL_1510760 (CHEMBL3606455)	Inhibition of human PIM2
50046414	105	ChEMBL_1510604 (CHEMBL3607952)	Inhibition of human CDC7/DBF4
50021133	1	ChEMBL_457575 (CHEMBL922775)	Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding
50021133	3	ChEMBL_457569 (CHEMBL922769)	Displacement of [3H]U-69593 from cloned kappa opioid receptor
50046414	101	ChEMBL_1510764 (CHEMBL3606459)	Inhibition of human RET
50046414	123	ChEMBL_1510613 (CHEMBL3607961)	Inhibition of human FGFR1
50021135	1	ChEMBL_449624 (CHEMBL898721)	Displacement of [3H]DAMGO from human mu opioid receptor
50021135	4	ChEMBL_449627 (CHEMBL898719)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50021135	2	ChEMBL_449630 (CHEMBL898725)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50046414	108	ChEMBL_1510768 (CHEMBL3606463)	Inhibition of human TRKA
50046414	77	ChEMBL_1510596 (CHEMBL3607944)	Inhibition of human ABL
50046414	93	ChEMBL_1510608 (CHEMBL3607956)	Inhibition of human EEF2K
50046414	66	ChEMBL_1510627 (CHEMBL3607975)	Inhibition of human MELK
50021136	2	ChEMBL_457580 (CHEMBL922780)	Displacement of [3H]CP-55940 from mouse spleen CB2 receptor
50021136	1	ChEMBL_457579 (CHEMBL922779)	Displacement of [3H]CP-55940 from rat brain CB1 receptor
50021139	2	ChEMBL_457596 (CHEMBL923797)	Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gene assay
50021139	1	ChEMBL_457595 (CHEMBL923796)	Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells
50021141	1	ChEMBL_457603 (CHEMBL923804)	Inhibition of alpha-7 nAchR expressed in Xenopus laevis oocytes assessed as acetylcholine-induced current by voltage-clamp method
50021141	2	ChEMBL_457604 (CHEMBL923805)	Inhibition of alpha4beta2 nAchR expressed in Xenopus laevis oocytes assessed as acetylcholine-induced current by voltage-clamp method
50021142	4	ChEMBL_457608 (CHEMBL923809)	Inhibition of DPP9
50021142	2	ChEMBL_457607 (CHEMBL923808)	Inhibition of DPP8
50021142	3	ChEMBL_457605 (CHEMBL923806)	Inhibition of DPP4
50021142	1	ChEMBL_457606 (CHEMBL923807)	Inhibition of QPP
50021147	2	ChEMBL_457647 (CHEMBL923924)	Inhibition of SYK
50021147	3	ChEMBL_457646 (CHEMBL923923)	Inhibition of ABL
50021147	1	ChEMBL_457650 (CHEMBL923927)	Inhibition of SRC
50021147	4	ChEMBL_457645 (CHEMBL923922)	Inhibition of human EGFR autophosphorylation in A431 cells
50021147	6	ChEMBL_457649 (CHEMBL923926)	Inhibition of KDR
50021147	5	ChEMBL_457644 (CHEMBL923921)	Inhibition of human recombinant EGFR by fluorescence polarization assay
50021147	7	ChEMBL_457648 (CHEMBL923925)	Inhibition of Flt1
50046414	71	ChEMBL_1510620 (CHEMBL3607968)	Inhibition of human JAK1
50021150	1	ChEMBL_457651 (CHEMBL923928)	Inhibition of Abl
50021150	2	ChEMBL_457659 (CHEMBL923937)	Inhibition of Src
50046414	79	ChEMBL_1510633 (CHEMBL3608084)	Inhibition of human NIM1
50046414	86	ChEMBL_1510637 (CHEMBL3608088)	Inhibition of human PDK1
50046414	78	ChEMBL_1510759 (CHEMBL3606454)	Inhibition of human PIM1
50046414	118	ChEMBL_1510616 (CHEMBL3607964)	Inhibition of human Haspin
50046414	107	ChEMBL_1510603 (CHEMBL3607951)	Inhibition of human BUB1
50046414	124	ChEMBL_1510612 (CHEMBL3607960)	Inhibition of human FAK
50046414	84	ChEMBL_1510597 (CHEMBL3607945)	Inhibition of human ACK1
50046414	65	ChEMBL_1510628 (CHEMBL3607976)	Inhibition of human MET
50046414	110	ChEMBL_1510767 (CHEMBL3606462)	Inhibition of human TLK2
50046414	103	ChEMBL_1510763 (CHEMBL3606458)	Inhibition of human PLK1
50046414	75	ChEMBL_1510624 (CHEMBL3607972)	Inhibition of human LCK
50046414	99	ChEMBL_1510600 (CHEMBL3607948)	Inhibition of human AUR1
50046452	5	ChEMBL_1510775 (CHEMBL3606470)	Inhibition of DPP4 (unknown origin)
50046452	4	ChEMBL_1510772 (CHEMBL3606467)	Inhibition of HSL (unknown origin)
50046452	6	ChEMBL_1510773 (CHEMBL3606468)	Inhibition of human AChE
50046453	17	ChEMBL_1510950 (CHEMBL3606931)	Inhibition of human ERG
50046453	14	ChEMBL_1510829 (CHEMBL3606593)	Inhibition of CYP2D6 (unknown origin)
50046453	13	ChEMBL_1510803 (CHEMBL3606567)	Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phosphate turnover preincubated for 45 mins before L-quisqualic acid challenge measured after 15 mins by IPone assay
50046453	18	ChEMBL_1510802 (CHEMBL3606566)	Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis
50046453	11	ChEMBL_1510949 (CHEMBL3606930)	Inhibition of CYP1A2 (unknown origin)
50046453	12	ChEMBL_1510827 (CHEMBL3606591)	Inhibition of CYP3A4 (unknown origin)
50046453	15	ChEMBL_1510831 (CHEMBL3606595)	Inhibition of CYP2C9 (unknown origin)
50046453	16	ChEMBL_1510830 (CHEMBL3606594)	Inhibition of CYP2C8 (unknown origin)
50046453	10	ChEMBL_1510828 (CHEMBL3606592)	Inhibition of CYP2C19 (unknown origin)
50046454	4	ChEMBL_1510989 (CHEMBL3607042)	Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay
50046455	1	ChEMBL_1510378 (CHEMBL3607128)	Inhibition of human Smo expressed in human U2OS cells assessed as reduction in BODIPY-cyclopamine fluorescence signaling by competitive displacement assay
50046455	2	ChEMBL_1510377 (CHEMBL3607127)	Inhibition of SMO in mouse NIH/3T3 cells assessed as inhibition of SAG-induced hedgehog-mediated luminescence signaling by GRE-luciferase reporter gene assay
50021156	2	ChEMBL_449682 (CHEMBL898786)	Displacement of [3H]spiperone from human cloned dopamine receptor D2 short expressed in CHO cell membranes
50021156	3	ChEMBL_449681 (CHEMBL898785)	Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cell membranes
50021156	1	ChEMBL_449680 (CHEMBL898784)	Displacement of [3H]SCH 23390 from pig dopamine D1 receptor in porcine striatal membranes
50021156	4	ChEMBL_449683 (CHEMBL898787)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cell membranes
50021156	5	ChEMBL_449676 (CHEMBL898780)	Agonist activity at human dopamine D3 receptor expressed in CHO dhfr mutant cells assessed as stimulation of mitogenesis after 4 hrs
50021157	2	ChEMBL_449693 (CHEMBL898798)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane
50021157	6	ChEMBL_449705 (CHEMBL898809)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane
50021157	4	ChEMBL_449695 (CHEMBL898800)	Displacement of [3H]ZM-241385 from human adenosine A2B receptor expressed in CHO cells
50021157	3	ChEMBL_449697 (CHEMBL898802)	Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in CHO cells
50021157	5	ChEMBL_449702 (CHEMBL898791)	Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells
50021157	1	ChEMBL_449701 (CHEMBL898806)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50021160	2	ChEMBL_457679 (CHEMBL923956)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50021160	1	ChEMBL_457680 (CHEMBL925003)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50021170	1	ChEMBL_446219 (CHEMBL895324)	Inhibition of wild type human PNMT
50021171	1	ChEMBL_446223 (CHEMBL895328)	Inhibition of ALR1 in Sprague-Dawley Albino rat kidney
50046455	3	ChEMBL_1510376 (CHEMBL3607126)	Inhibition of PI3Kalpha (unknown origin) assessed as reduction in luminescence signaling by kinase-Glo plus luminescent kinase assay
50046456	1	ChEMBL_1510505 (CHEMBL3607633)	Inhibition of tryptase (unknown origin) using t-Boc-Phe-Ser-Arg-MCA as substrate after 5 mins by fluorimetric analysis
50046456	2	ChEMBL_1510507 (CHEMBL3607635)	Inhibition of thrombin (unknown origin) using t-Boc-Val-Pro-Arg-MCA as substrate after 5 mins by fluorimetric analysis
50046456	3	ChEMBL_1510509 (CHEMBL3607637)	Inhibition of trypsin (unknown origin) using Bz-Arg-pNA.HCl as substrate after 5 mins by colorimetric analysis
50046457	1	ChEMBL_1510512 (CHEMBL3607640)	Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay
50046457	2	ChEMBL_1510513 (CHEMBL3607641)	Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay
50021178	1	ChEMBL_457702 (CHEMBL925025)	Inhibition of human cathepsin B
50046458	1	ChEMBL_1510551 (CHEMBL3607786)	Inhibition of MK499 binding to human ERG
50025538	3	ChEMBL_534427 (CHEMBL971353)	Inhibition of bile acid beta-glucosidase activity of human liver GBA2
50025538	2	ChEMBL_534410 (CHEMBL970436)	Inhibition of conduritol beta-epoxide-sensitive mouse glucosylceramidase
50025538	1	ChEMBL_534411 (CHEMBL970437)	Inhibition mouse glucosylceramide synthase
50025539	2	ChEMBL_529509 (CHEMBL966653)	Inhibition of human Tpl2 by ELISA
50025539	9	ChEMBL_529521 (CHEMBL966665)	Inhibition of human EGFR by ELISA
50025539	5	ChEMBL_529510 (CHEMBL966654)	Inhibition of rabbit MEK1 by ELISA
50025539	1	ChEMBL_529508 (CHEMBL966652)	Inhibition of IL-1-beta-stimulated MMP3 in human RA-FLS cells by immunoblot analysis
50025539	6	ChEMBL_529511 (CHEMBL966655)	Inhibition of human p38alpha by ELISA
50025539	7	ChEMBL_529512 (CHEMBL966656)	Inhibition of human Src by ELISA
50025539	4	ChEMBL_529516 (CHEMBL966660)	Inhibition of human MK2 by scintiplate assay
50025539	8	ChEMBL_529519 (CHEMBL966663)	Inhibition of human MKK6 by ELISA
50025539	11	ChEMBL_529520 (CHEMBL966664)	Inhibition of human IKK-beta by ELISA
50025539	10	ChEMBL_529522 (CHEMBL966666)	Inhibition of human Raf1
50046458	2	ChEMBL_1510552 (CHEMBL3607787)	Inhibition of human ERG expressed in CHO cells measured for 5 mins by automated patch clamp assay
50046459	1	ChEMBL_1510720 (CHEMBL3606322)	Inhibition of ERK2 in human A375 cells assessed as phosphorylated of FRA level by Western analysis
50046459	2	ChEMBL_1510717 (CHEMBL3606319)	Inhibition of ERK2 (unknown origin)
50021184	1	ChEMBL_446267 (CHEMBL895371)	Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay
50021185	3	ChEMBL_446271 (CHEMBL895374)	Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR in rat cerebral cortex
50021185	2	ChEMBL_446272 (CHEMBL895375)	Displacement of [3H]alpha-bungarotoxin from alpha-7 nAChR in rat cerebral cortex
50021185	1	ChEMBL_446270 (CHEMBL895373)	Displacement of [3H]cytisine from alpha-4-beta-2 nAChR in rat cerebral cortex
50021186	1	ChEMBL_446290 (CHEMBL895394)	Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor
50021186	2	ChEMBL_446289 (CHEMBL895393)	Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor
50046460	1	ChEMBL_1511128 (CHEMBL3607541)	Inhibition of human ERG assessed as reduction in MK499 competitive binding
50021191	2	ChEMBL_457710 (CHEMBL925033)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of capsaicin-induced calcium influx
50021191	1	ChEMBL_457711 (CHEMBL923988)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed blocking of acid-induced calcium influx at pH 5
50021194	2	ChEMBL_449744 (CHEMBL898849)	Inhibition of human DPP8
50021194	4	ChEMBL_449743 (CHEMBL898850)	Inhibition of human DPP4
50021194	3	ChEMBL_449745 (CHEMBL898848)	Inhibition of human DPP9
50021194	1	ChEMBL_449746 (CHEMBL898851)	Inhibition of human ERG
50021194	5	ChEMBL_449750 (CHEMBL898855)	Inhibition of human DPP4 in presence of 50 % human serum
50021196	3	ChEMBL_449776 (CHEMBL898881)	Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane
50021196	1	ChEMBL_449780 (CHEMBL897836)	Agonist activity at mu-opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50021196	2	ChEMBL_449775 (CHEMBL898880)	Displacement of [3H]deltorphin 2 from delta-opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane
50046460	2	ChEMBL_1511129 (CHEMBL3607542)	Inhibition of human ERG expressed in CHO cells by patch express method based electrophysiology assay
50046461	1	ChEMBL_1511300 (CHEMBL3606205)	Inhibition of myristoylated human P110beta expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analysis
50046461	2	ChEMBL_1511301 (CHEMBL3606206)	Inhibition of myristoylated human P110delta expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analysis
50046461	3	ChEMBL_1511296 (CHEMBL3606201)	Inhibition of P110delta (unknown origin) using PI or PIP2:PS as substrate measured for 15 to 60 mins by TR-FRET analysis
50046461	4	ChEMBL_1511295 (CHEMBL3606200)	Inhibition of P110gamma (unknown origin) using PI or PIP2:PS as substrate measured for 15 to 60 mins by TR-FRET analysis
50046461	5	ChEMBL_1511294 (CHEMBL3606199)	Inhibition of P110beta (unknown origin) by Kinase-Glo assay
50046461	6	ChEMBL_1511293 (CHEMBL3606198)	Inhibition of P110alpha (unknown origin) by Kinase-Glo assay
50046461	7	ChEMBL_1511299 (CHEMBL3606204)	Inhibition of myristoylated human P110alpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analysis
50021203	1	ChEMBL_446321 (CHEMBL895431)	Displacement of [3H]haTRAP from PAR1 in human platelet membrane
50021205	2	ChEMBL_449793 (CHEMBL898899)	Displacement of [3H]manning ligand from human vasopressin V1a receptor expressed in CHO cells
50021205	1	ChEMBL_449794 (CHEMBL898900)	Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells
50021205	3	ChEMBL_449790 (CHEMBL898896)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells
50021205	4	ChEMBL_449800 (CHEMBL898895)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells
50021207	5	ChEMBL_457746 (CHEMBL924024)	Inhibition of CYP2D6
50021207	4	ChEMBL_457747 (CHEMBL924025)	Inhibition of CYP2C9
50021207	6	ChEMBL_457745 (CHEMBL924023)	Inhibition of CYP3A4
50021207	1	ChEMBL_457737 (CHEMBL924015)	Inhibition of F10a
50021207	3	ChEMBL_457748 (CHEMBL924026)	Inhibition of CYP1A2
50021207	2	ChEMBL_457749 (CHEMBL924014)	Inhibition of CYP2C19
50046454	6	ChEMBL_1510998 (CHEMBL3607139)	Agonist activity at human alpha4beta2 nAChR high affinity form expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay
50046454	7	ChEMBL_1510986 (CHEMBL3607039)	Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method
50046454	2	ChEMBL_1510994 (CHEMBL3607135)	Agonist activity at human alpha4beta2 nAChR in (alpha4)3(beta2)2 stoichiometry form
50025541	2	ChEMBL_529562 (CHEMBL969396)	Inhibition of wild type p38alpha
50025541	1	ChEMBL_529564 (CHEMBL969398)	Inhibition of wild type p38beta
50025542	1	ChEMBL_529575 (CHEMBL970278)	Activation of rat AMPK-alpha-1-alpha-2beta-1-gamma-1 kinase
50021213	1	ChEMBL_446358 (CHEMBL895478)	Binding affinity to hERG expressed in CHO cells by patch clamp assay
50021216	2	ChEMBL_449847 (CHEMBL897911)	Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay
50021216	1	ChEMBL_449846 (CHEMBL897910)	Displacement of [125I]ghrelin from human GHSR1a after 1 hr
50021217	3	ChEMBL_457757 (CHEMBL924033)	Displacement of [125I]RTI55 from human NET transfected in COS1 cells
50021217	2	ChEMBL_457756 (CHEMBL924035)	Displacement of [125I]RTI55 from human DAT transfected in COS1 cells
50021217	1	ChEMBL_457755 (CHEMBL924034)	Displacement of [125I]RTI55 from human SERT transfected in COS1 cells
50021220	1	ChEMBL_449860 (CHEMBL898964)	Inhibition of T-type calcium channel Cav3.1 alpha-1G subunit expressed in HEK293 cells assessed as calcium current by patch-clamp assay
50021221	5	ChEMBL_457760 (CHEMBL924037)	Displacement of [125]MCP1 from human CCR2 receptor in THP1 cells
50021221	2	ChEMBL_457768 (CHEMBL925090)	Inhibition of human CYP2D6
50021221	6	ChEMBL_457762 (CHEMBL924039)	Displacement of [125]MCP1 from human CCR2 receptor in THP1 cell membrane
50021221	3	ChEMBL_457765 (CHEMBL925087)	Inhibition of human CYP3A4
50021221	4	ChEMBL_457766 (CHEMBL925088)	Inhibition of human CYP2C9
50021221	1	ChEMBL_457767 (CHEMBL925089)	Inhibition of human CYP2C19
50021221	7	ChEMBL_457764 (CHEMBL924041)	Inhibition of human CYP1A2
50021224	1	ChEMBL_457824 (CHEMBL924094)	Inhibition of 12-hLO
50046454	5	ChEMBL_1510999 (CHEMBL3607140)	Agonist activity at human alpha4beta2 nAChR low affinity form expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay
50021224	2	ChEMBL_457825 (CHEMBL924095)	Inhibition of 15-hLO1
50046454	3	ChEMBL_1510993 (CHEMBL3607134)	Agonist activity at human alpha4beta2 nAChR in (alpha4)2(beta2)3 stoichiometry form
50046462	1	ChEMBL_1510852 (CHEMBL3606688)	Inhibition of human cathepsin-S using Z-Phe-Val-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay
50046462	2	ChEMBL_1510849 (CHEMBL3606685)	Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay
50046462	3	ChEMBL_1510850 (CHEMBL3606686)	Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay
50046463	1	ChEMBL_1510860 (CHEMBL3606696)	Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay
50046463	2	ChEMBL_1510863 (CHEMBL3606699)	Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition by homogeneous fluorogenic HDAC assay
50046463	3	ChEMBL_1510857 (CHEMBL3606693)	Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay
50046463	4	ChEMBL_1510859 (CHEMBL3606695)	Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay
50021228	1	ChEMBL_449874 (CHEMBL898978)	Inhibition of integrin alpha-5-beta-1-mediated K562 cell adhesion to fibronectin
50021228	2	ChEMBL_449873 (CHEMBL898977)	Inhibition of integrin alpha-V-beta-3-mediated SK-MEL-24 cell adhesion to fibronectin
50025546	4	ChEMBL_511068 (CHEMBL1000360)	Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation
50046463	5	ChEMBL_1510861 (CHEMBL3606697)	Inhibition of His-flagged recombinant HDAC6 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay
50025546	3	ChEMBL_511073 (CHEMBL1000365)	Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot
50025546	1	ChEMBL_511308 (CHEMBL996963)	Inhibition of c-Src
50046463	6	ChEMBL_1510867 (CHEMBL3606703)	Inhibition of HDAC4 (unknown origin)
50046463	7	ChEMBL_1510868 (CHEMBL3606704)	Inhibition of HDAC5 (unknown origin)
50046463	8	ChEMBL_1510869 (CHEMBL3606705)	Inhibition of HDAC7 (unknown origin)
50046463	9	ChEMBL_1510870 (CHEMBL3606706)	Inhibition of HDAC9 (unknown origin)
50046463	10	ChEMBL_1510871 (CHEMBL3606707)	Inhibition of HDAC10 (unknown origin)
50046463	11	ChEMBL_1510872 (CHEMBL3606708)	Inhibition of HDAC11 (unknown origin)
50046464	1	ChEMBL_1511011 (CHEMBL3607152)	Inhibition of human PDE4D
50021235	1	ChEMBL_457867 (CHEMBL925198)	Inhibition of partially purified EGFR tyrosine kinase from human A431 cells
50046464	2	ChEMBL_1511010 (CHEMBL3607151)	Inhibition of PDE4B (unknown origin)
50046464	3	ChEMBL_1511009 (CHEMBL3607150)	Inhibition of PDE4A (unknown origin)
50046465	1	ChEMBL_1511039 (CHEMBL3607180)	Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
50046465	2	ChEMBL_1511047 (CHEMBL3607267)	Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046465	3	ChEMBL_1511046 (CHEMBL3607266)	Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046465	4	ChEMBL_1511193 (CHEMBL3607820)	Inhibition of CYP1A2 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046465	5	ChEMBL_1511194 (CHEMBL3607821)	Inhibition of CYP2C9 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046465	6	ChEMBL_1511195 (CHEMBL3607822)	Inhibition of human ERG
50046465	7	ChEMBL_1511048 (CHEMBL3607268)	Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046465	8	ChEMBL_1511049 (CHEMBL3607269)	Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method
50046466	1	ChEMBL_1511134 (CHEMBL3607547)	Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method
50046466	2	ChEMBL_1511133 (CHEMBL3607546)	Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method
50046466	3	ChEMBL_1511143 (CHEMBL3607556)	Binding affinity to human NET expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method
50046466	4	ChEMBL_1511142 (CHEMBL3607555)	Binding affinity to human DAT expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method
50046466	5	ChEMBL_1511141 (CHEMBL3607554)	Binding affinity to human SERT expressed in HEK293 cells assessed as induction of [3H]5-HT release by liquid scintillation counting method
50046467	1	ChEMBL_1511151 (CHEMBL3607668)	Antagonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced increase in intracellular calcium level incubated for 2 mins prior to UDP induction by fluo-4 dye-based spectrofluorometric analysis
50046468	1	ChEMBL_1511162 (CHEMBL3607679)	Agonist activity at rat GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay
50046468	2	ChEMBL_1511159 (CHEMBL3607676)	Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level after 60 mins by FLIPR assay
50021239	3	ChEMBL_457884 (CHEMBL924156)	Inhibition of EGFR
50021239	2	ChEMBL_457885 (CHEMBL924157)	Inhibition of Erb2 autophosphorylation by cellular clone 24 assay
50021239	5	ChEMBL_457887 (CHEMBL924159)	Inhibition of Kdr
50021239	4	ChEMBL_457888 (CHEMBL924160)	Inhibition of Src
50021239	1	ChEMBL_457883 (CHEMBL924155)	Inhibition of ErbB2 kinase
50021240	2	ChEMBL_457938 (CHEMBL925260)	Inhibition of unphosphorylated-Kdr after 30 mins
50021240	1	ChEMBL_457937 (CHEMBL925259)	Inhibition of phosphorylated-Kdr after 30 mins
50021242	2	ChEMBL_449905 (CHEMBL899009)	Inhibition of human recombinant p110delta
50021242	3	ChEMBL_449904 (CHEMBL899008)	Inhibition of human recombinant p110beta
50021242	1	ChEMBL_449903 (CHEMBL899007)	Inhibition of human recombinant p110alpha
50021244	1	ChEMBL_457945 (CHEMBL925267)	Inhibition of PSMA
50025550	3	ChEMBL_511323 (CHEMBL996978)	Inhibition of human recombinant thymidine phosphorylase by [3H]thymidine incorporation assay
50025550	2	ChEMBL_511321 (CHEMBL996976)	Inhibition of bovine xanthine oxidase using hypoxanthine as a substrate
50025550	4	ChEMBL_511322 (CHEMBL996977)	Inhibition of bovine xanthine oxidase using xanthine as a substrate
50025550	1	ChEMBL_511318 (CHEMBL996973)	Inhibition of human recombinant thymidine phosphorylase
50021247	1	ChEMBL_457947 (CHEMBL925269)	Inhibition of cfms
50021251	1	ChEMBL_457959 (CHEMBL924228)	Inhibition of aldose reductase
50025551	4	ChEMBL_533616 (CHEMBL966809)	Inhibition of human PKCepsilon
50025551	2	ChEMBL_533618 (CHEMBL966811)	Inhibition of human PKCdelta
50025551	3	ChEMBL_533619 (CHEMBL966812)	Inhibition of human PKCgamma
50025551	1	ChEMBL_533620 (CHEMBL966813)	Inhibition of human PKCiota
50025554	1	ChEMBL_522056 (CHEMBL1004914)	Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE
50025554	2	ChEMBL_522057 (CHEMBL1004915)	Inhibition of Enterobacter cloacae IMI1 beta lactamase expressed in Escherichia coli DH5alpha by SDS-PAGE
50025554	3	ChEMBL_522058 (CHEMBL1004916)	Inhibition of Klebsiella pneumoniae KPC-1 beta lactamase expressed in Escherichia coli DH5alpha by SDS-PAGE
50025556	2	ChEMBL_533636 (CHEMBL969512)	Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha expressed in sf9 cells by scintillation proximity assay
50025556	1	ChEMBL_533637 (CHEMBL969513)	Displacement of [125I]T3 from recombinant thyroid hormone receptor beta expressed in sf9 cells by scintillation proximity assay
50021263	1	ChEMBL_446484 (CHEMBL895596)	Antagonist activity at human bradykinin B1 receptor in IL1-beta stimulated IMR90 cells by FLIPR assay
50021263	2	ChEMBL_446485 (CHEMBL895597)	Displacement of [3H]DAKA from human bradykinin B1 receptor in IL1-beta stimulated IMR90 cells
50046469	1	ChEMBL_1511186 (CHEMBL3607813)	Binding affinity to human IgG1-fused human Siglec-7-FC (Gln19 to Gly357 residues) assessed as inhibition Siglec-7-Fc binding to to RBC pre-incubated for 10 mins before 20 mins incubation with RBCs by flow cytometry
50046470	1	ChEMBL_1511315 (CHEMBL3606220)	Inhibition of recombinant human GAPDH assessed as oxidative phosphorylation of D-glyceraldehyde-3-phosphate to 1,3-bisphosphoglycerate by spectrophotometric method
50046471	1	ChEMBL_1511325 (CHEMBL3606230)	Inhibition of electric eel AChE using ATC iodide substrate by Ellman's assay
50046471	2	ChEMBL_1511326 (CHEMBL3606231)	Inhibition of equine serum BChE using ATC iodide substrate by Ellman's assay
50046471	3	ChEMBL_1511340 (CHEMBL3606361)	Inhibition of AChE (unknown origin) assessed as enzyme-mediated Amyloid beta peptide (1 to 42) aggregation incubated for 5 hrs by thioflavin-T based fluorometric assay
50046471	4	ChEMBL_1511335 (CHEMBL3606356)	Inhibition of acetylcholinesterase in human erythrocytes using acetylthiocholine iodide substrate by spectrophotometric Ellman's method
50021270	3	ChEMBL_457993 (CHEMBL925324)	Inhibition of human HDAC1 expressed in 293T cells
50021270	1	ChEMBL_457994 (CHEMBL925325)	Inhibition of human HDAC4 expressed in 293T cells
50046472	1	ChEMBL_1511479 (CHEMBL3606828)	Displacement of [3H]U-69,593 from kappa opioid receptor in mouse brain membranes by liquid scintillation counting method
50046472	2	ChEMBL_1511477 (CHEMBL3606826)	Displacement of [3H]DAMGO from mu opioid receptor in mouse brain membranes by liquid scintillation counting method
50021274	1	ChEMBL_458014 (CHEMBL924283)	Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry
50021275	1	ChEMBL_459561 (CHEMBL925661)	Inhibition of human thrombin
50021275	2	ChEMBL_459562 (CHEMBL925662)	Inhibition of human recombinant DPP4
50021278	3	ChEMBL_458033 (CHEMBL924302)	Binding affinity to human CB2 receptor
50021278	1	ChEMBL_458035 (CHEMBL924304)	Agonist activity at human CB2 receptor by GTPgamma[35S] assay
50021278	2	ChEMBL_458032 (CHEMBL924301)	Binding affinity to human CB1 receptor
50021279	2	ChEMBL_458039 (CHEMBL924308)	Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human AGS cells by reporter gene assay
50021279	1	ChEMBL_458038 (CHEMBL924307)	Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Hep3B cells by reporter gene assay
50021279	3	ChEMBL_458037 (CHEMBL924306)	Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Sk-Hep1 cells by reporter gene assay
50046472	3	ChEMBL_1511478 (CHEMBL3606827)	Displacement of [3H]DPDPE from delta opioid receptor in mouse brain membranes by liquid scintillation counting method
50046473	2	ChEMBL_1511502 (CHEMBL3606851)	Inhibition of Torpedo californica AChE using ATCI substrate incubated for 30 mins by Ellman's method based spectrophotometry
50046430	5	ChEMBL_1511239 (CHEMBL3607997)	Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced KLK3 gene expression by Array Plate assay
50046430	2	ChEMBL_1511240 (CHEMBL3607998)	Inhibition of androgen receptor in human LNCAP cells assessed as inhibition of DHT-induced SPDEF gene expression by Array Plate assay
50046430	3	ChEMBL_1511370 (CHEMBL3606495)	Competitive inhibition of androgen binding to androgen receptor (unknown origin) by invitrogen polar screen assay
50046474	1	ChEMBL_1513320 (CHEMBL3611224)	Inhibition of human RON
50046474	2	ChEMBL_1513321 (CHEMBL3611225)	Inhibition of human c-Met
50046475	1	ChEMBL_1513323 (CHEMBL3611227)	Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs
50046475	2	ChEMBL_1513322 (CHEMBL3611226)	Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method
50046475	3	ChEMBL_1513326 (CHEMBL3611230)	Inhibition of human liver purified lactate dehydrogenase-A using NADH as substrate assessed as disappearance of NADH fluorescence
50046475	4	ChEMBL_1513325 (CHEMBL3611229)	Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as disappearance of NADH fluorescence
50046476	1	ChEMBL_1513798 (CHEMBL3611116)	Inhibition of ovine COX1 by oxidized TMPD detection based colorimetric assay
50046476	2	ChEMBL_1513799 (CHEMBL3611117)	Inhibition of ovine COX2 by oxidized TMPD detection based colorimetric assay
50046476	3	ChEMBL_1513801 (CHEMBL3611119)	Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal plot
50046477	1	ChEMBL_1513806 (CHEMBL3611124)	Inhibition of 5-LO in ionophore A23187-stimulated human PMNL using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-H(p)ETE preincubated for 15 mins followed by substrate and ionophore addition measured after 10 mins by HPLC analysis
50046477	2	ChEMBL_1513809 (CHEMBL3611127)	Inhibition of COX-1 in human platelet using arachidonic acid as substrate assessed as formation of 12-HHT preincubated for 10 mins followed by substrate addition measured after 5 mins by HPLC analysis
50046477	3	ChEMBL_1513810 (CHEMBL3611128)	Inhibition of 5-LO in ionomycin-stimulated human PMNL using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by HPLC analysis
50046477	4	ChEMBL_1513811 (CHEMBL3611129)	Inhibition of recombinant human 5-LO expressed in Escherichia coli JM109 using arachidonic acid as substrate assessed as formation of LTB4, 5(S),12(S)-DiHETE, 5-H(p)ETE preincubated for 5 to 10 mins followed by substrate addition measured after 10 mins by HPLC
50046477	5	ChEMBL_1513802 (CHEMBL3611120)	Inhibition of mPGES-1 in microsomal membranes isolated from interleukin-1beta-stimulated human A549 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis
50046477	6	ChEMBL_1513804 (CHEMBL3611122)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as formation of all-trans isomer of LTB4, 5-H(P)ETE preincubated for 5 to 10 mins followed by substrate addition measured after 10 mins by HPLC analysis
50021286	1	ChEMBL_459563 (CHEMBL925663)	Inhibition of Staphylococcus aureus peptide deformylase
50046478	1	ChEMBL_1513822 (CHEMBL3611140)	Inhibition of human CYP1A2 by luminometry
50046478	2	ChEMBL_1513823 (CHEMBL3611141)	Inhibition of human CYP2C9 by luminometry
50046478	3	ChEMBL_1513824 (CHEMBL3611142)	Inhibition of human CYP2D6 by luminometry
50046478	4	ChEMBL_1513825 (CHEMBL3611143)	Inhibition of human CYP2C19 by luminometry
50046478	5	ChEMBL_1513826 (CHEMBL3611144)	Inhibition of human CYP3A4 by luminometry
50046479	1	ChEMBL_1512190 (CHEMBL3611472)	Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli
50046480	1	ChEMBL_1512365 (CHEMBL3609940)	Modulation of gamma-secretase in human H4 cells expressing wild type APP751 assessed as inhibition of intracellular amyloid beta 42 production after 16 to 18 hrs by sandwich ELISA
50046480	2	ChEMBL_1512366 (CHEMBL3609941)	Modulation of gamma-secretase in human SKNBE-2 cells transfected with wild type APP assessed as inhibition of intracellular amyloid beta 42 production after 16 hrs by sandwich ELISA
50046480	3	ChEMBL_1512367 (CHEMBL3609942)	Modulation of gamma-secretase in human SKNBE-2 cells assessed as inhibition of intracellular amyloid beta 42 production after 6 hrs by sandwich ELISA
50046480	4	ChEMBL_1512368 (CHEMBL3609943)	Modulation of gamma-secretase in HEK293 cells expressing Swedish mutant APP assessed as inhibition of intracellular amyloid beta 42 production after 16 hrs by sandwich ELISA
50046480	5	ChEMBL_1512369 (CHEMBL3609944)	Modulation of gamma-secretase in HEK293 cells expressing Swedish mutant APP assessed as inhibition of intracellular amyloid beta 40 production after 16 hrs by sandwich ELISA
50046480	6	ChEMBL_1512370 (CHEMBL3609945)	Modulation of gamma-secretase in HEK293 cells transfected with APPsw-6myc assessed as inhibition of intracellular amyloid beta 42 production after 16 hrs by sandwich ELISA
50046480	7	ChEMBL_1512319 (CHEMBL3611870)	Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid beta 42 production by electrochemiluminescent assay
50046480	8	ChEMBL_1512318 (CHEMBL3611869)	Modulation of gamma-secretase in human SH-SY5Y cells overexpressing APP C-terminal fragment SPA4CT assessed as inhibition of intracellular amyloid beta 40 production by electrochemiluminescent assay
50021291	1	ChEMBL_458068 (CHEMBL925405)	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells
50046480	9	ChEMBL_1512331 (CHEMBL3611882)	Binding affinity to human ERG expressed in HEK293 cells by radioligand displacement assay
50021301	1	ChEMBL_458088 (CHEMBL924350)	Inhibition of human thrombin after 15 mins by standard chromogenic assay
50021302	1	ChEMBL_458089 (CHEMBL924351)	Inhibition of EGFR
50021304	4	ChEMBL_450041 (CHEMBL899136)	Inhibition of human caspase 6
50021304	1	ChEMBL_450038 (CHEMBL899137)	Inhibition of human recombinant caspase 3 by fluorometric assay
50021304	6	ChEMBL_450042 (CHEMBL899134)	Inhibition of human caspase 7
50021304	5	ChEMBL_450044 (CHEMBL899140)	Inhibition of human caspase 9
50021304	3	ChEMBL_450043 (CHEMBL899139)	Inhibition of human caspase 8
50021304	2	ChEMBL_450040 (CHEMBL899135)	Inhibition of human caspase 1
50046480	10	ChEMBL_1512332 (CHEMBL3611883)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50046481	1	ChEMBL_1512522 (CHEMBL3610386)	Inhibition of human carbonic anhydrase 7
50046481	2	ChEMBL_1512515 (CHEMBL3610379)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method
50046481	3	ChEMBL_1512516 (CHEMBL3610380)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method
50021307	1	ChEMBL_458108 (CHEMBL924370)	Inhibition of jack bean urease
50046481	4	ChEMBL_1512513 (CHEMBL3610377)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50046481	5	ChEMBL_1512514 (CHEMBL3610378)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50046482	1	ChEMBL_1512557 (CHEMBL3610506)	Inhibition of HSF1 (unknown origin) assessed as reduction in HSF1--mediated HSP transcription
50046482	2	ChEMBL_1512556 (CHEMBL3610505)	Inhibition of HSF1 (unknown origin)
50046483	1	ChEMBL_1512572 (CHEMBL3610521)	Binding affinity to 5HT6 receptor (unknown origin)
50046483	2	ChEMBL_1512573 (CHEMBL3610522)	Binding affinity to alpha2A adrenoceptor (unknown origin)
50046483	3	ChEMBL_1512574 (CHEMBL3610523)	Binding affinity to alpha2B adrenoceptor (unknown origin)
50046483	4	ChEMBL_1512575 (CHEMBL3610524)	Binding affinity to alpha2C adrenoceptor (unknown origin)
50046483	5	ChEMBL_1512576 (CHEMBL3610525)	Binding affinity to muscarinic M1 receptor (unknown origin)
50046483	6	ChEMBL_1512577 (CHEMBL3610526)	Binding affinity to PBR (unknown origin)
50046483	7	ChEMBL_1512578 (CHEMBL3610527)	Displacement of [3H]GR125743 from 5HT1B receptor (unknown origin)
50046483	8	ChEMBL_1512579 (CHEMBL3610528)	Displacement of [3H]LSD from 5HT2B receptor (unknown origin)
50046483	9	ChEMBL_1512581 (CHEMBL3610628)	Agonist activity at 5HT1B receptor (unknown origin)
50046483	10	ChEMBL_1512582 (CHEMBL3610629)	Binding affinity to 5HT1B receptor (unknown origin)
50046484	1	ChEMBL_1512589 (CHEMBL3610636)	Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method
50046485	3	ChEMBL_1512597 (CHEMBL3610644)	Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry
50046485	7	ChEMBL_1512600 (CHEMBL3610647)	Antagonist activity against 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes assessed as reduction in [35S]-GTPgammaS binding incubated for 30 mins by liquid scintillation counting method
50046485	2	ChEMBL_1512596 (CHEMBL3610643)	Binding affinity to 5-HT2A receptor (unknown origin)
50046486	1	ChEMBL_1513484 (CHEMBL3611840)	Displacement of [3H]prazosin from alpha1B adrenoceptor in rat liver membranes
50046486	2	ChEMBL_1513486 (CHEMBL3611842)	Binding affinity to human recombinant alpha1D adrenoceptor
50046486	4	ChEMBL_1513483 (CHEMBL3611839)	Displacement of [3H]prazosin from alpha1A adrenoceptor in rat submaxillary gland membrane
50046487	1	ChEMBL_1513596 (CHEMBL3610216)	Agonist activity at human LXRbeta expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated for 20 hrs by luciferase reporter gene assay
50046487	2	ChEMBL_1513495 (CHEMBL3611851)	Agonist activity at human LXRalpha expressed in African green monkey kidney CV1 cells co-expressing pTAL-LXRE including LXR response element incubated for 20 hrs by luciferase reporter gene assay
50021318	1	ChEMBL_458143 (CHEMBL925475)	Inhibition of CYP3A4 after 30 mins
50021322	1	ChEMBL_458149 (CHEMBL925482)	Inhibition of HDAC2 in HeLa cell lysates
50021323	2	ChEMBL_458154 (CHEMBL924411)	Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells
50021323	1	ChEMBL_458156 (CHEMBL924413)	Binding affinity at 5HT2A receptor
50046488	1	ChEMBL_1513738 (CHEMBL3610848)	Inhibition of human RON
50046488	2	ChEMBL_1513739 (CHEMBL3610849)	Inhibition of c-Met phosphorylation in human MKN45 cells
50046488	3	ChEMBL_1513740 (CHEMBL3610850)	Inhibition of human c-Met kinase domain
50046489	1	ChEMBL_1513746 (CHEMBL3610856)	Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincubated for 30 mins followed by IL-8 addition by FLUO-4AM-based fluorescent microplate reader analysis
50046489	2	ChEMBL_1513745 (CHEMBL3610855)	Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincubated for 30 mins followed by IL-8 addition by FLUO-4AM-based fluorescent microplate reader analysis
50046490	1	ChEMBL_1513759 (CHEMBL3610869)	Binding affinity to LuxP in Vibrio harveyi MM32 assessed as activation of quorum sensing system after 5 hrs by bioluminescence assay in presence of exogenous synthetic DPD
50046491	1	ChEMBL_1513778 (CHEMBL3610986)	Inhibition of PTP1B (unknown origin) pre-incubated for 10 mins before addition of p-nitrophenyl phosphate substrate and measured 30 mins post substrate addition
50021329	1	ChEMBL_446700 (CHEMBL896996)	Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based assay
50025562	1	ChEMBL_534482 (CHEMBL981896)	Inhibition of human recombinant DDAH1
50046492	1	ChEMBL_1513909 (CHEMBL3611591)	Inhibition of ERK2 (unknown origin)
50046492	2	ChEMBL_1513922 (CHEMBL3611604)	Inhibition of CYP2C9 (unknown origin)
50046492	3	ChEMBL_1513923 (CHEMBL3611605)	Inhibition of CYP2D6 (unknown origin)
50046492	4	ChEMBL_1513924 (CHEMBL3611606)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50046492	5	ChEMBL_1513925 (CHEMBL3611607)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50046492	6	ChEMBL_1513926 (CHEMBL3611608)	Inhibition of CYP1A2 (unknown origin)
50025563	1	ChEMBL_534495 (CHEMBL981909)	Binding affinity at human EphB2 receptor by isothermal titration calorimetry
50025563	2	ChEMBL_534496 (CHEMBL981910)	Binding affinity at mouse EphB2 receptor by ELISA
50025564	1	ChEMBL_529613 (CHEMBL968351)	Inhibition of Lck phosphorylation
50025564	2	ChEMBL_529614 (CHEMBL968352)	Inhibition of protein tyrosine phosphatase N1 phosphorylation
50025564	3	ChEMBL_529615 (CHEMBL968353)	Inhibition of protein tyrosine phosphatase N13 phosphorylation
50021336	1	ChEMBL_446716 (CHEMBL897013)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1 by chemiluminescent assay
50046492	7	ChEMBL_1513912 (CHEMBL3611594)	Inhibition of ERK2 in human A375 cells assessed as phosphorylated FRA level
50046493	1	ChEMBL_1513927 (CHEMBL3611609)	Inhibition of p38 MAP kinase (unknown origin) by biochemical assay
50046494	1	ChEMBL_1513928 (CHEMBL3611610)	Binding affinity to thrombin (unknown origin)
50046494	2	ChEMBL_1513929 (CHEMBL3611611)	Binding affinity to thrombin (unknown origin) by direct isothermal titration colorimetry
50046494	3	ChEMBL_1513930 (CHEMBL3611612)	Binding affinity to thrombin (unknown origin) by displacement titration based isothermal titration colorimetry
50021341	2	ChEMBL_461212 (CHEMBL926151)	Inhibition of HDAC4 expressed in 293T cells
50021341	3	ChEMBL_461213 (CHEMBL926152)	Inhibition of HDAC6 expressed in 293T cells
50021341	1	ChEMBL_461211 (CHEMBL926150)	Inhibition of HDAC1 expressed in 293T cells
50021342	2	ChEMBL_450164 (CHEMBL900435)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
50021342	3	ChEMBL_450165 (CHEMBL900436)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane
50021342	1	ChEMBL_450166 (CHEMBL900437)	Displacement of [3H]paroxetine from SERT receptor in human platelet membrane
50021345	1	ChEMBL_450189 (CHEMBL900460)	Displacement of [3H]E2 from human ERalpha ligand binding domain
50021345	2	ChEMBL_450190 (CHEMBL900461)	Displacement of [3H]E2 from human ERbeta ligand binding domain
50021354	2	ChEMBL_450224 (CHEMBL900499)	Binding affinity to human cloned adrenergic alpha-1d receptor
50021354	4	ChEMBL_450225 (CHEMBL900500)	Binding affinity to human cloned dopamine D2 receptor
50021354	3	ChEMBL_450223 (CHEMBL900498)	Binding affinity to human cloned adrenergic alpha-1b receptor
50021354	1	ChEMBL_450222 (CHEMBL900497)	Binding affinity to human cloned adrenergic Alpha-1A receptor
50021355	1	ChEMBL_458186 (CHEMBL924443)	Inhibition of human GSK3-beta
50046495	1	ChEMBL_1513935 (CHEMBL3611617)	Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IFN-gamma secretion incubated for 30 prior to thapsigargin induction measured after 48 hrs by electrochemilluminescent immunoassay
50021356	1	ChEMBL_450228 (CHEMBL900506)	Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay
50021356	2	ChEMBL_450233 (CHEMBL900508)	Agonist activity at human kappa opioid receptor assessed as inhibition of Galpha-16-induced calcium flux
50021359	2	ChEMBL_458218 (CHEMBL925553)	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase
50021359	1	ChEMBL_458219 (CHEMBL925554)	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase in HEK 293 cells
50021362	2	ChEMBL_450235 (CHEMBL900510)	Inhibition of uPA
50021362	1	ChEMBL_450237 (CHEMBL900512)	Inhibition of tPA
50021370	1	ChEMBL_450257 (CHEMBL900534)	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay
50021373	2	ChEMBL_458247 (CHEMBL925582)	Binding affinity to integrin alpha-v-beta-3 receptor
50021373	3	ChEMBL_458248 (CHEMBL925583)	Binding affinity to GP2b3a receptor
50021373	1	ChEMBL_458251 (CHEMBL925586)	Binding affinity to human serum albumin by equilibrium dialysis
50021377	1	ChEMBL_458258 (CHEMBL924504)	Inhibition of cathepsin S by fluorescence assay
50021377	2	ChEMBL_458256 (CHEMBL924502)	Inhibition of cathepsin K by fluorescence assay
50021379	2	ChEMBL_450371 (CHEMBL900656)	Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization
50021379	3	ChEMBL_450373 (CHEMBL900657)	Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization
50021379	1	ChEMBL_450372 (CHEMBL900655)	Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization
50021380	1	ChEMBL_458261 (CHEMBL924507)	Inhibition of JNK3 by HTRF assay
50021381	2	ChEMBL_458263 (CHEMBL924510)	Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP level
50021381	1	ChEMBL_458267 (CHEMBL924513)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP level
50021381	3	ChEMBL_458278 (CHEMBL924524)	Agonist activity at rat beta-3 adrenergic receptor
50021386	1	ChEMBL_450409 (CHEMBL900693)	Inhibition of human CB2 receptor expressed in CHO cells
50021388	1	ChEMBL_450437 (CHEMBL899614)	Inhibition of recombinant CYP2C9 by fluorescence inhibition assay
50021389	4	ChEMBL_450439 (CHEMBL900723)	Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay
50021389	2	ChEMBL_450438 (CHEMBL900722)	Inhibition of COX1 in mouse J774 cells assessed as arachidonic acid-induced PGE2 levels by radio immunoassay
50021389	3	ChEMBL_450443 (CHEMBL900727)	Inhibition of COX2 in LPS-induced monocyte assessed as PGE2 production in human whole blood
50021390	1	ChEMBL_450458 (CHEMBL900745)	Inhibition of butyrylcholine esterase
50021390	2	ChEMBL_450457 (CHEMBL900744)	Inhibition of acetylcholine esterase
50021390	3	ChEMBL_450456 (CHEMBL900743)	Inhibition of recombinant human hormone-sensitive lipase
50021391	2	ChEMBL_450479 (CHEMBL900763)	Displacement of fluoromone from human recombinant ERalpha by fluorescence polarization assay
50021391	1	ChEMBL_450480 (CHEMBL900764)	Displacement of fluoromone from human recombinant ERbeta by fluorescence polarization assay
50021394	8	ChEMBL_450508 (CHEMBL900786)	Inhibition of CYP3A4
50021394	9	ChEMBL_450507 (CHEMBL900804)	Displacement of [125I]NDP-MSH from human MC5R
50021394	2	ChEMBL_450533 (CHEMBL900823)	Inhibition of CYP2C9
50021394	3	ChEMBL_450534 (CHEMBL900824)	Inhibition of CYP2C19
50021394	4	ChEMBL_450504 (CHEMBL900801)	Antagonist activity at MC4R assessed as inhibition of alpha-MSH-stimulated cAMP release
50021394	5	ChEMBL_450531 (CHEMBL900821)	Inhibition of CYP1A2
50021394	6	ChEMBL_450532 (CHEMBL900822)	Inhibition of CYP2D6
50021396	1	ChEMBL_450587 (CHEMBL900871)	Displacement of [3H]-N-alpha methyl histamine from rat H3 receptor expressed in C6 cells
50021396	3	ChEMBL_450590 (CHEMBL900876)	Antagonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as inhibition of RAMH-stimulated [35S]GTP-gamma-S binding
50021396	4	ChEMBL_450591 (CHEMBL900877)	Agonist activity at human histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTP-gamma-S binding
50021396	5	ChEMBL_450592 (CHEMBL900878)	Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTP-gamma-S binding
50021396	2	ChEMBL_450586 (CHEMBL900873)	Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells
50021401	1	ChEMBL_450653 (CHEMBL900936)	Antagonist activity at neurokinin 1 receptor
50021402	1	ChEMBL_450657 (CHEMBL900940)	Inhibition of human 11-beta-HSD1 in CHO cells assessed as conversion of cortisone to cortisol
50021402	2	ChEMBL_450656 (CHEMBL900939)	Inhibition of human 11-beta-HSD1 by SPA
50021402	3	ChEMBL_450658 (CHEMBL900941)	Inhibition of human 11-beta-HSD2 by SPA
50025566	1	ChEMBL_529627 (CHEMBL968365)	Inhibition of human complement factor B
50021416	2	ChEMBL_450671 (CHEMBL900954)	Inhibition of ovine AANAT by spectrophotometric assay
50021416	1	ChEMBL_450681 (CHEMBL900964)	Inhibition of ovine AANAT by TLC-based radioactive assay
50021418	1	ChEMBL_450690 (CHEMBL900974)	Displacement of 1-alpha, 25-(OH)[3H]D3 from human VDR expressed in COS1 cells
50025569	2	ChEMBL_529653 (CHEMBL968391)	Inhibition of DAT
50025569	1	ChEMBL_529641 (CHEMBL968379)	Inhibition of adenosine A3 receptor
50046495	2	ChEMBL_1513934 (CHEMBL3611616)	Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IL-2 secretion incubated for 30 prior to thapsigargin induction measured after 48 hrs by electrochemilluminescent immunoassay
50046495	3	ChEMBL_1513931 (CHEMBL3611613)	Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch clamp electrophysiology assay
50021424	1	ChEMBL_450769 (CHEMBL899855)	Inhibition of human recombinant Src
50021425	3	ChEMBL_450777 (CHEMBL899862)	Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane
50021425	2	ChEMBL_450775 (CHEMBL899860)	Antagonist activity at human mGluR5b expressed in HEK293 cells assessed by measuring intracellular calcium by FLIPR assay
50021427	2	ChEMBL_450786 (CHEMBL899871)	Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production
50021427	1	ChEMBL_450787 (CHEMBL899872)	Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production in presence of 50% human serum
50021427	3	ChEMBL_450785 (CHEMBL899870)	Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells
50046495	4	ChEMBL_1513936 (CHEMBL3611618)	Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by automated patchXpress planar patch clamp electrophysiology assay
50046495	5	ChEMBL_1513937 (CHEMBL3611619)	Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents by automated patchXpress planar patch clamp electrophysiology assay
50046495	6	ChEMBL_1513938 (CHEMBL3611620)	Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophysiology assay
50046495	7	ChEMBL_1513939 (CHEMBL3611621)	Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents by manual whole-cell patch clamp electrophysiology assay
50046495	8	ChEMBL_1513943 (CHEMBL3611733)	Displacement of [125I]-ChTX from mouse Kv1.3 after 20 mins by scintillation counting analysis
50021429	4	ChEMBL_450803 (CHEMBL899888)	Inhibition of human CCR2
50021429	5	ChEMBL_450806 (CHEMBL899891)	Antagonist activity at CCR2 expressed in THP1 cells assessed as MCP1-induced calcium flux
50021429	3	ChEMBL_450811 (CHEMBL899896)	Displacement of [125I]-mouse MCP1 from CCR2 in mouse peripheral blood monocytes
50021429	2	ChEMBL_450812 (CHEMBL899897)	Displacement of [125I]-mouse MCP1 from CCR2 in mouse WEHI265.1 cells
50021429	1	ChEMBL_450813 (CHEMBL899898)	Displacement of [125I]-rat MCP1 from rat CCR2 receptor in monocytes
50021432	1	ChEMBL_450834 (CHEMBL899920)	Agonist activity at human GPR109a receptor transfected in CHOK1 cells assessed as reversal of forskolin induced cAMP elevating effect by whole cell assay
50021433	2	ChEMBL_458313 (CHEMBL925644)	Inhibition of PTP1B expressed in Sf9 cells
50021433	1	ChEMBL_458315 (CHEMBL925646)	Inhibition of PTP1B in a cell-free assay
50046495	9	ChEMBL_1513932 (CHEMBL3611614)	Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch clamp electrophysiology assay
50021439	6	ChEMBL_450849 (CHEMBL899935)	Binding affinity at human MC1 receptor
50021439	2	ChEMBL_450851 (CHEMBL899937)	Binding affinity at human MC5 receptor
50021440	1	ChEMBL_458333 (CHEMBL941667)	Inhibition of human factor 10a
50021440	2	ChEMBL_458334 (CHEMBL941668)	Inhibition of human thrombin
50021442	1	ChEMBL_450869 (CHEMBL899955)	Displacement of [125I]U2 from human UT receptor in RMS13 cells after 2.5 hrs
50021442	2	ChEMBL_450868 (CHEMBL899954)	Antagonist activity at rat UT receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR method
50021444	1	ChEMBL_450875 (CHEMBL899962)	Inhibition of aurora A kinase
50021444	5	ChEMBL_450886 (CHEMBL899972)	Inhibition of human CYP2D6 after 10 mins
50021444	7	ChEMBL_450879 (CHEMBL899965)	Inhibition of recombinant aurora C kinase
50021444	3	ChEMBL_450887 (CHEMBL899973)	Inhibition of human CYP3A4 after 10 mins
50021444	9	ChEMBL_450883 (CHEMBL899969)	Inhibition of human CYP1A2 after 10 mins
50021444	6	ChEMBL_450885 (CHEMBL899971)	Inhibition of human CYP2C19 after 10 mins
50021444	2	ChEMBL_450888 (CHEMBL899974)	Inhibition of human CYP2C9 after 10 mins
50021450	1	ChEMBL_459691 (CHEMBL942823)	Inhibition of plasmin
50021450	2	ChEMBL_459690 (CHEMBL942822)	Inhibition of bovine Cathepsin B
50021450	3	ChEMBL_459689 (CHEMBL942821)	Inhibition of human recombinant caspase 8 expressed in Escherichia coli
50021453	1	ChEMBL_458365 (CHEMBL941699)	Inhibition of MMP13-mediated bovine nasal cartilage degradation assessed as hydroxyprole release
50021453	2	ChEMBL_458357 (CHEMBL941691)	Inhibition of MMP13
50046496	1	ChEMBL_1512484 (CHEMBL3610255)	Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis
50046497	1	ChEMBL_1514805 (CHEMBL3615223)	Inhibition of human F10a using S-2765 as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50046497	2	ChEMBL_1514807 (CHEMBL3615225)	Inhibition of bovine plasma thrombin using S-2238 as substrate
50046497	3	ChEMBL_1514808 (CHEMBL3615226)	Inhibition of trypsin (unknown origin) using S-2222 as substrate
50046498	1	ChEMBL_1514812 (CHEMBL3615230)	Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry
50046499	1	ChEMBL_1514814 (CHEMBL3615232)	Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50046500	1	ChEMBL_1514828 (CHEMBL3615340)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes
50046501	1	ChEMBL_1514951 (CHEMBL3615817)	Inhibition of recombinant human STS transfected in CHO cells using MUS as substrate after 30 mins by fluorescence assay
50046501	2	ChEMBL_1514950 (CHEMBL3615816)	Inhibition of human placenta STS
50046501	3	ChEMBL_1514949 (CHEMBL3615815)	Inhibition of STS in human MCF7 cells
50046501	4	ChEMBL_1514946 (CHEMBL3615812)	Inhibition of human placenta STS using NPS as substrate after 15 mins by microplate reader analysis
50046502	1	ChEMBL_1514955 (CHEMBL3615821)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat hippocampus membrane homogenates by gamma counting
50046502	2	ChEMBL_1514956 (CHEMBL3615822)	Binding affinity to alpha4beta2 nAChR (unknown origin)
50046502	3	ChEMBL_1514959 (CHEMBL3615825)	Displacement of [3H]raclopride from dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 30 mins
50046502	4	ChEMBL_1514960 (CHEMBL3615826)	Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of acetylcholine-induced inward current at holding potential of -70 mV by patch clamp technique
50046502	5	ChEMBL_1514952 (CHEMBL3615818)	Displacement of [3H]raclopride from dopamine D2 receptor in Sprague-Dawley rat striatal membranes after 30 mins
50046503	2	ChEMBL_1515283 (CHEMBL3614855)	Inhibition of EGFR (unknown origin) assessed as incorporation of 33Pi after 1 hr by ELISA
50021458	1	ChEMBL_450923 (CHEMBL900011)	Antagonist activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization
50021463	3	ChEMBL_461352 (CHEMBL927357)	Inhibition of human TACE
50021463	1	ChEMBL_461353 (CHEMBL927358)	Inhibition of human recombinant MMP2
50021467	1	ChEMBL_458529 (CHEMBL942788)	Inhibition of human recombinant Chk2
50046506	6	ChEMBL_1514638 (CHEMBL3614385)	Inhibition of human MAGL expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method
50046506	5	ChEMBL_1514749 (CHEMBL3614950)	Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compound dilution measured after 30 mins by HPLC method
50046507	1	ChEMBL_1511578 (CHEMBL3607078)	Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex by xanthine oxidase coupling enzyme assay
50046507	2	ChEMBL_1511512 (CHEMBL3606937)	Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay
50046507	3	ChEMBL_1511511 (CHEMBL3606936)	Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex by xanthine oxidase coupling enzyme assay
50046507	4	ChEMBL_1511510 (CHEMBL3606935)	Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay
50046507	5	ChEMBL_1511507 (CHEMBL3606856)	Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex by xanthine oxidase coupling enzyme assay
50021469	1	ChEMBL_450927 (CHEMBL900014)	Inhibition of human DPP4
50046507	6	ChEMBL_1511506 (CHEMBL3606855)	Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay
50046507	7	ChEMBL_1511505 (CHEMBL3606854)	Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex by xanthine oxidase coupling enzyme assay
50046507	8	ChEMBL_1511504 (CHEMBL3606853)	Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay
50046508	1	ChEMBL_1511809 (CHEMBL3608011)	Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay
50021470	3	ChEMBL_458550 (CHEMBL942808)	Inhibition of human CYP3A4
50046508	2	ChEMBL_1511757 (CHEMBL3607714)	Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay
50021472	1	ChEMBL_461363 (CHEMBL927368)	Inhibition of ovine COX2
50021472	2	ChEMBL_461361 (CHEMBL927366)	Inhibition of ovine COX1
50021478	1	ChEMBL_451057 (CHEMBL900138)	Inhibition of soybean lipoxygenase
50046508	3	ChEMBL_1511811 (CHEMBL3608013)	Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay
50046508	4	ChEMBL_1511810 (CHEMBL3608012)	Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay
50021480	1	ChEMBL_458595 (CHEMBL942878)	Antagonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced cAMP levels
50021480	6	ChEMBL_458590 (CHEMBL942873)	Displacement of [3H]Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells
50021480	5	ChEMBL_458592 (CHEMBL942875)	Displacement of [3H]Arg-vasopressin from human recombinant vasopressin V2 receptor expressed in HEK293 cells
50021480	2	ChEMBL_458594 (CHEMBL942877)	Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced intracellular calcium level
50021480	3	ChEMBL_458598 (CHEMBL942881)	Antagonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced cAMP levels
50021480	4	ChEMBL_458597 (CHEMBL942880)	Antagonist activity at rat vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of Arg-vasopressin-induced intracellular calcium level
50021488	2	ChEMBL_451109 (CHEMBL900184)	Binding affinity to transthyretin at pH 4.4
50021488	1	ChEMBL_451108 (CHEMBL900187)	Inhibition of transthyretin fibril formation at pH 4.4
50021492	4	ChEMBL_451279 (CHEMBL901490)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 100 uM Cobalt
50021492	5	ChEMBL_451277 (CHEMBL901488)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 100 uM Manganese
50021492	6	ChEMBL_451278 (CHEMBL901489)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 5 uM Manganese
50021492	1	ChEMBL_451282 (CHEMBL901493)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 6 uM Iron
50021492	2	ChEMBL_451281 (CHEMBL901492)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 10 uM Nickel
50021492	3	ChEMBL_451280 (CHEMBL901491)	Inhibition of Escherichia coli methionine aminopeptidase in presence of 1 uM Cobalt
50021493	1	ChEMBL_459698 (CHEMBL942830)	Inhibition of PTP1B
50021496	1	ChEMBL_458633 (CHEMBL941962)	Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity
50025578	2	ChEMBL_511554 (CHEMBL966264)	Inhibition of human thrombin
50025578	1	ChEMBL_511555 (CHEMBL966265)	Binding affinity to thrombin
50021511	2	ChEMBL_451331 (CHEMBL901542)	Inhibition of Abl kinase
50021511	1	ChEMBL_451332 (CHEMBL901543)	Inhibition of Src
50021512	1	ChEMBL_451362 (CHEMBL901565)	Inhibition of Escherichia coli beta-lactamase
50046485	5	ChEMBL_1512604 (CHEMBL3610651)	Displacement of [3H]-spiperone from dopamine D3 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry
50046485	6	ChEMBL_1512599 (CHEMBL3610646)	Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding incubated for 30 mins by liquid scintillation counting method
50046485	4	ChEMBL_1512603 (CHEMBL3610650)	Displacement of [3H]-spiperone from dopamine D2 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry
50046485	8	ChEMBL_1512601 (CHEMBL3610648)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry
50046485	9	ChEMBL_1512602 (CHEMBL3610649)	Displacement of [3H]-SCH-23390 from dopamine D1 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry
50046509	1	ChEMBL_1512615 (CHEMBL3610662)	Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting method
50046509	2	ChEMBL_1512618 (CHEMBL3610665)	Activity at mGlu1 receptor (unknown origin) expressed in HEK293 cells by Ca2+ mobilization assay
50046509	3	ChEMBL_1512619 (CHEMBL3610756)	Activity at mGlu2 receptor (unknown origin) expressed in HEK293 cells pre-treated for 15 mins before addition of EC80 concentration of reference agonist for another 15 mins by cAMP accumulation assay
50046509	4	ChEMBL_1512620 (CHEMBL3610757)	Activity at mGlu5 receptor (unknown origin) expressed in HEK293 cells by Ca2+ mobilization assay
50046509	5	ChEMBL_1512621 (CHEMBL3610758)	Activity at mGlu6 receptor (unknown origin) expressed in HEK293 cells pre-treated for 15 mins before addition of EC80 concentration of reference agonist for another 15 mins by cAMP accumulation assay
50046509	6	ChEMBL_1512622 (CHEMBL3610759)	Activity at mGlu8 receptor (unknown origin) expressed in HEK293 cells pre-treated for 15 mins before addition of EC80 concentration of reference agonist for another 15 mins by cAMP accumulation assay
50046509	7	ChEMBL_1512612 (CHEMBL3610659)	Positive allosteric modulator activity at mGlu4 receptor (unknown origin)
50046509	8	ChEMBL_1512613 (CHEMBL3610660)	Positive allosteric modulator activity at human mGlu4 receptor
50046509	9	ChEMBL_1512614 (CHEMBL3610661)	Positive allosteric modulator activity at rat mGlu4 receptor
50046510	1	ChEMBL_1512782 (CHEMBL3611375)	Inhibition of human ERG expressed in HEK cells by patch clamp assay
50046510	2	ChEMBL_1512781 (CHEMBL3611374)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in diclofenac 4'-hydroxylation by LC-MS/MS method
50046510	3	ChEMBL_1512780 (CHEMBL3611373)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextromethorphan-O demethylation by LC-MS/MS method
50046510	4	ChEMBL_1512779 (CHEMBL3611372)	Time dependent inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation incubated for 60 mins in presence of NADPH generating system by LC-MS/MS method
50046510	5	ChEMBL_1512778 (CHEMBL3611371)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by LC-MS/MS method
50046510	6	ChEMBL_1512777 (CHEMBL3611370)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation by LC-MS/MS method
50046510	7	ChEMBL_1512774 (CHEMBL3611367)	Inhibition of recombinant Cav1.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR assay
50021514	1	ChEMBL_451386 (CHEMBL901590)	Inhibition of CXCR4 in MDA-MB-231 cells
50021514	2	ChEMBL_451383 (CHEMBL901586)	Displacement of biotinylated TN14003 from CXCR4 in MDA-MB-231 cells
50021515	2	ChEMBL_451390 (CHEMBL901593)	Inhibition of human DPP8
50021515	1	ChEMBL_451391 (CHEMBL901594)	Inhibition of human DPP4
50021515	3	ChEMBL_451392 (CHEMBL901595)	Inhibition of human DPP2
50021520	1	ChEMBL_451421 (CHEMBL900556)	Inhibition of Trypanosoma cruzi Tulahuen 2 cruzipain
50025592	4	ChEMBL_533730 (CHEMBL974283)	Inhibition of rat NMDA NR2A receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -70 mV by voltage clamp method
50025592	2	ChEMBL_533731 (CHEMBL974284)	Inhibition of rat NMDA NR2B receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -70 mV by voltage clamp method
50025592	1	ChEMBL_533724 (CHEMBL974277)	Inhibition of rat NMDA NR2D receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -70 mV by voltage clamp method
50025592	3	ChEMBL_533732 (CHEMBL974285)	Inhibition of rat NMDA NR2C receptor expressed in xenopus oocytes coexpressing NMDA NR13b assessed as effect on glycine-induced current response at -70 mV by voltage clamp method
50021539	1	ChEMBL_451545 (CHEMBL900721)	Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore formation
50021539	2	ChEMBL_451555 (CHEMBL901765)	Activity at vasopressin V1A receptor
50021540	1	ChEMBL_451566 (CHEMBL901776)	Inhibition of human FPPS
50025593	1	ChEMBL_511827 (CHEMBL969890)	Inhibition of human activated c-Met by PK/LDH coupled kinetic assay
50021541	5	ChEMBL_458674 (CHEMBL942957)	Binding affinity to MC5R
50046510	8	ChEMBL_1512773 (CHEMBL3611366)	Inhibition of recombinant Cav3.2 channel (unknown origin) expressed in HEK293 cells assessed as effect on calcium flux incubated for 3 mins by FLIPR assay
50021541	1	ChEMBL_458672 (CHEMBL942955)	Binding affinity to MC1R
50021543	1	ChEMBL_458685 (CHEMBL942022)	Binding affinity to human CXCR3 receptor expressed in CHO membrane by ITAC-stimulated GTP gammaS assay
50021544	1	ChEMBL_451570 (CHEMBL901780)	Inhibition of mushroom tyrosinase
50021552	1	ChEMBL_451581 (CHEMBL901788)	Inhibition of MK2 in human TERT immortalised HCA2 cells assessed as inhibition of anisomycin-induced HSP27 phosphorylation by ELISA
50021555	1	ChEMBL_451634 (CHEMBL901846)	Displacement of [3H]LY354740 from rat mGluR2 expressed in CHO cells
50021555	2	ChEMBL_451635 (CHEMBL901847)	Antagonist activity at rat mGlu2 expressed in CHO cells assessed as inhibition of (1S,3R)-ACPD-stimulated GTPgammaS binding
50021556	1	ChEMBL_451644 (CHEMBL901855)	Displacement of [3H]SAM from Icmt relative to SAH
50046511	1	ChEMBL_1513114 (CHEMBL3610542)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method
50046511	2	ChEMBL_1513115 (CHEMBL3610543)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method
50046511	3	ChEMBL_1513116 (CHEMBL3610544)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method
50021570	1	ChEMBL_451685 (CHEMBL901897)	Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cells
50021583	2	ChEMBL_451820 (CHEMBL902032)	Binding affinity to integrin alpha-2b-beta-3 receptor by solid phase binding assay
50021583	1	ChEMBL_451818 (CHEMBL902030)	Binding affinity to integrin alpha-5-beta-1 receptor by solid phase binding assay
50021583	3	ChEMBL_451819 (CHEMBL902031)	Binding affinity to integrin alpha-v-beta-3 receptor by solid phase binding assay
50021584	1	ChEMBL_451825 (CHEMBL902037)	Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3)
50046511	4	ChEMBL_1513117 (CHEMBL3610545)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method
50021587	10	ChEMBL_458712 (CHEMBL942047)	Agonist activity at human recombinant dopamine D2 receptor expressed in rat pituitary cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50021587	8	ChEMBL_458713 (CHEMBL942048)	Agonist activity at human recombinant dopamine D3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50021587	5	ChEMBL_458729 (CHEMBL943014)	Binding affinity to rat alpha-1A adrenergic receptor
50021587	3	ChEMBL_458727 (CHEMBL943012)	Antagonist activity at human recombinant 5HT1A receptor
50021587	1	ChEMBL_458722 (CHEMBL942057)	Binding affinity to dopamine D1 receptor
50021587	9	ChEMBL_458732 (CHEMBL943016)	Binding affinity to human histamine H1 receptor
50021587	11	ChEMBL_458731 (CHEMBL942046)	Binding affinity to human muscarinic M1 receptor
50021587	6	ChEMBL_458730 (CHEMBL943015)	Binding affinity to human alpha-2A adrenergic receptor
50021587	7	ChEMBL_458742 (CHEMBL943026)	Displacement of dofetilide from hERG
50021587	2	ChEMBL_458723 (CHEMBL942058)	Binding affinity to dopamine D5 receptor
50021587	4	ChEMBL_458728 (CHEMBL943013)	Binding affinity to rat 5HT2A receptor
50021595	2	ChEMBL_458754 (CHEMBL943038)	Inhibition of human DPP8
50021595	1	ChEMBL_458756 (CHEMBL943040)	Inhibition of hERG by patch clamp assay
50021595	3	ChEMBL_458753 (CHEMBL943037)	Inhibition of human DPP4
50021597	1	ChEMBL_451853 (CHEMBL902067)	Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells
50021607	1	ChEMBL_451876 (CHEMBL901031)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50021607	2	ChEMBL_451877 (CHEMBL901032)	Displacement of [3H]WIN-552122 from human recombinant CB2 receptor expressed in CHOK1 cells
50046512	1	ChEMBL_1513254 (CHEMBL3610962)	Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by two-electrode voltage clamp electrophysiology assay
50046513	1	ChEMBL_1513260 (CHEMBL3610968)	Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay
50046513	2	ChEMBL_1513258 (CHEMBL3610966)	Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay
50046513	3	ChEMBL_1513259 (CHEMBL3610967)	Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay
50046514	1	ChEMBL_1513296 (CHEMBL3611102)	Inhibition of liver delta-5 desaturase (unknown origin)
50025601	2	ChEMBL_519199 (CHEMBL945670)	Inhibition of human EGFR tyrosine kinase activity
50025601	1	ChEMBL_519212 (CHEMBL946651)	Inhibition of human EGFR
50025601	3	ChEMBL_519213 (CHEMBL946652)	Inhibition of human HER2 tyrosine kinase activity
50025602	1	ChEMBL_496992 (CHEMBL1005407)	Inhibition of Eimeria tenella cGMP-dependent protein kinase
50025605	1	ChEMBL_519477 (CHEMBL951783)	Inhibition of CDK1/cyclinB
50025605	3	ChEMBL_519478 (CHEMBL951784)	Inhibition of CDK5/p25
50025605	4	ChEMBL_519479 (CHEMBL951785)	Inhibition of GSK3alpha/beta
50025605	2	ChEMBL_519216 (CHEMBL946655)	Inhibition of CDK1
50025606	2	ChEMBL_533986 (CHEMBL994875)	Antiporter activity in Escherichia coli K12 wild type EcNhaA assessed as effect on sodium chloride-induced pH changes by acridine orange fluorescence assay
50025606	1	ChEMBL_533985 (CHEMBL994874)	Antiporter activity in Escherichia coli K12 wild type EcNhaA assessed as effect on lithium chloride-induced pH changes by acridine orange fluorescence assay
50021640	1	ChEMBL_461432 (CHEMBL928532)	Inhibition of KDR
50021647	1	ChEMBL_451962 (CHEMBL901120)	Blockade of L-glutamate/glycine-activated rat NR1/NR2A NMDA receptor expressed in Xenopus oocytes
50021647	2	ChEMBL_451961 (CHEMBL901119)	Blockade of capsaicin-activated rat TRPV1 channel expressed in Xenopus oocytes
50046515	1	ChEMBL_1515311 (CHEMBL3614990)	Inhibition of Plasmodium falciparum plasmepsin 2
50046516	1	ChEMBL_1515327 (CHEMBL3615120)	Inhibition of His6-tagged Src kinase domain (unknown origin) using AEEEIYGEFEAKKKK as substrate preincubated for 10 mins followed by substrate/ATP addition measured after 30 mins by fluorescence assay
50046517	1	ChEMBL_1515513 (CHEMBL3615694)	Inhibition of ROMK (unknown origin) expressed in HEK293 cells by electrophysiology assay
50046517	2	ChEMBL_1515519 (CHEMBL3615700)	Inhibition of Kir2.3 potassium channel (unknown origin)
50046517	3	ChEMBL_1515520 (CHEMBL3615701)	Inhibition of Kir2.1 potassium channel (unknown origin)
50046517	4	ChEMBL_1515521 (CHEMBL3615702)	Inhibition of Kir4.1 potassium channel (unknown origin)
50046517	5	ChEMBL_1515522 (CHEMBL3615703)	Inhibition of Kir7.1 potassium channel (unknown origin)
50046517	6	ChEMBL_1515523 (CHEMBL3615704)	Inhibition of Nav1.2 channel (unknown origin)
50046517	7	ChEMBL_1515524 (CHEMBL3615705)	Inhibition of Nav2.1 channel (unknown origin)
50046517	8	ChEMBL_1515525 (CHEMBL3615706)	Inhibition of CYP3A4 (unknown origin)
50046517	9	ChEMBL_1515526 (CHEMBL3615707)	Inhibition of CYP2D6 (unknown origin)
50021652	1	ChEMBL_459826 (CHEMBL943880)	Antagonist activity at human FXR expressed in monkey CV1 cells after 24 hrs by ecdysone receptor response element-driven luciferase reporter assay
50021658	3	ChEMBL_451989 (CHEMBL901149)	Inhibition of human recombinant MAOA
50046517	10	ChEMBL_1515527 (CHEMBL3615708)	Inhibition of CYP2C9 (unknown origin)
50046517	11	ChEMBL_1515528 (CHEMBL3615709)	Inhibition of CYP2C8 (unknown origin)
50046517	12	ChEMBL_1515531 (CHEMBL3615712)	Inhibition of rat ROMK by thallium flux assay
50046517	13	ChEMBL_1515502 (CHEMBL3615683)	Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells
50025610	3	ChEMBL_497291 (CHEMBL995853)	Binding affinity to mu opioid receptor
50025610	4	ChEMBL_497292 (CHEMBL995854)	Binding affinity to kappa opioid receptor
50025610	2	ChEMBL_497294 (CHEMBL995856)	Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat brain cerebellum
50021659	1	ChEMBL_461436 (CHEMBL928536)	Inhibition of CYP3A4 pre-incubated before 30 mins
50021667	3	ChEMBL_452077 (CHEMBL901238)	Inhibition of human TAFIa
50021667	4	ChEMBL_452078 (CHEMBL901239)	Inhibition of human plasma carboxypeptidase N
50021667	2	ChEMBL_452075 (CHEMBL901236)	Inhibition of porcine pancreatic carboxypeptidase B
50021667	1	ChEMBL_452073 (CHEMBL901234)	Inhibition of bovine pancreatic carboxypeptidase A
50046517	14	ChEMBL_1515501 (CHEMBL3615682)	Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay
50021672	2	ChEMBL_452172 (CHEMBL900284)	Displacement of [125I]NDPMSH from human MC4R expressed in HEK293 cells
50021672	1	ChEMBL_452173 (CHEMBL900285)	Displacement of [125I]NDPMSH from human MC5R expressed in HEK293 cells
50021672	4	ChEMBL_452170 (CHEMBL901326)	Displacement of [125I]NDPMSH from human MC1R expressed in HEK293 cells
50021672	14	ChEMBL_452239 (CHEMBL901391)	Inhibition of CYP2C9
50021672	11	ChEMBL_452237 (CHEMBL901389)	Inhibition of CYP3A4
50021672	12	ChEMBL_452228 (CHEMBL901380)	Binding affinity to mouse MC3R
50021672	10	ChEMBL_452236 (CHEMBL901388)	Inhibition of CYP1A2
50021672	13	ChEMBL_452238 (CHEMBL901390)	Inhibition of CYP2D6
50021672	8	ChEMBL_452234 (CHEMBL901386)	Agonist activity at GHSR
50021672	3	ChEMBL_452240 (CHEMBL901392)	Inhibition of CYP2C19
50046517	15	ChEMBL_1515505 (CHEMBL3615686)	Inhibition of human ERG expressed in HEK293 cells by electrophysiology assay
50046518	1	ChEMBL_1515683 (CHEMBL3616297)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes
50046518	2	ChEMBL_1515689 (CHEMBL3616303)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP production
50021674	1	ChEMBL_459885 (CHEMBL942995)	Inhibition of human CYP3A4 expressed in Escherichia coli assessed as inhibition of nifedipine oxidation
50046518	3	ChEMBL_1515688 (CHEMBL3616302)	Binding affinity to 5HT2B receptor (unknown origin)
50046518	4	ChEMBL_1515687 (CHEMBL3616301)	Binding affinity to canine adenosine A3 receptor expressed in HEK293 cell membranes
50046518	5	ChEMBL_1515686 (CHEMBL3616300)	Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cell membranes
50046518	6	ChEMBL_1515681 (CHEMBL3616295)	Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor expressed in CHO cell membranes
50046519	1	ChEMBL_1515771 (CHEMBL3614430)	Inhibition of sheep placental cotyledons COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition after 20 mins by competitive PGE2 EIA method
50046520	1	ChEMBL_1515806 (CHEMBL3614568)	Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins before arachidonic acid substrate addition by RP-HPLC method
50025614	2	ChEMBL_534907 (CHEMBL982824)	Displacement of [3H]SCH23390 from dopamine D1 receptor in bovine caudate nuclei synaptosomal membrane by liquid scintillation spectrometry
50025614	1	ChEMBL_534908 (CHEMBL982825)	Displacement of [3H]Spiperone from dopamine D2 receptor in bovine caudate nuclei synaptosomal membrane by liquid scintillation spectrometry
50021706	3	ChEMBL_461467 (CHEMBL927477)	Binding affinity to CXCR1
50021706	2	ChEMBL_461466 (CHEMBL927478)	Binding affinity to CXCR2
50046520	2	ChEMBL_1515808 (CHEMBL3614570)	Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidonic acid substrate addition by RP-HPLC method
50021713	1	ChEMBL_452330 (CHEMBL902567)	Inhibition of Mycobacterium tuberculosis MCA by fluorescence-detected HPLC assay
50021715	4	ChEMBL_452341 (CHEMBL902578)	Binding affinity to human SST1R
50021715	8	ChEMBL_452331 (CHEMBL902568)	Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells
50021715	1	ChEMBL_452344 (CHEMBL902581)	Binding affinity to human SST4R
50021715	3	ChEMBL_452343 (CHEMBL902580)	Binding affinity to human SST3R
50021715	7	ChEMBL_452332 (CHEMBL902569)	Antagonist activity at human SST5R expressed in CHO cells assessed as reversal of somatostatin-14 induced cAMP response
50021715	5	ChEMBL_452339 (CHEMBL902576)	Inhibition of hERG channel
50021715	6	ChEMBL_452338 (CHEMBL902575)	Binding affinity to histamine H1 receptor
50021715	2	ChEMBL_452342 (CHEMBL902579)	Binding affinity to human SST2R
50021716	1	ChEMBL_452345 (CHEMBL902582)	Binding affinity to human SST5R
50021716	3	ChEMBL_452349 (CHEMBL902586)	Binding affinity to human histamine H1 receptor
50021716	2	ChEMBL_452348 (CHEMBL902585)	Binding affinity to human SST3R
50021716	4	ChEMBL_452346 (CHEMBL902583)	Binding affinity to human SST1R
50021716	5	ChEMBL_452347 (CHEMBL902584)	Binding affinity to human SST2R
50021716	6	ChEMBL_452350 (CHEMBL902587)	Binding affinity to human ERG channel
50021720	5	ChEMBL_461473 (CHEMBL927484)	Binding affinity at human LXRalpha
50021720	2	ChEMBL_461488 (CHEMBL927499)	Agonist activity at human recombinant PPARgamma
50046521	1	ChEMBL_1516025 (CHEMBL3615422)	Inhibition of porcine brain tubulin polymerization assessed as microtubule assembly after 15 mins by DAPI staining
50046521	2	ChEMBL_1516027 (CHEMBL3615424)	Inhibition of human KDR using and Ulight-CAGAGAIETDKEYYTVKD as substrate after 1 hr by FRET assay
50046521	3	ChEMBL_1515929 (CHEMBL3615016)	Inhibition of human ERG assessed as reduction of tail current
50046521	4	ChEMBL_1515914 (CHEMBL3614892)	Inhibition of CYP1A2 (unknown origin)
50046521	5	ChEMBL_1515916 (CHEMBL3614894)	Inhibition of CYP2D6 (unknown origin)
50046521	6	ChEMBL_1515918 (CHEMBL3614896)	Inhibition of CYP3A4 (unknown origin)
50046522	1	ChEMBL_1516108 (CHEMBL3615751)	Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis
50021722	1	ChEMBL_461490 (CHEMBL927501)	Displacement of [125I]His9-ghrelin from human GHSR1a receptor expressed in LLC PK1 cells
50021722	2	ChEMBL_461493 (CHEMBL927504)	Agonist activity at human GHSR1a receptor expressed in CHO cells assessed as intracellular calcium mobilization
50021722	3	ChEMBL_461492 (CHEMBL927503)	Antagonist activity at human GHSR1a receptor expressed in CHO cells assessed as reduction of ghrelin-induced intracellular calcium mobilization
50046522	2	ChEMBL_1516109 (CHEMBL3615752)	Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis
50021740	1	ChEMBL_461561 (CHEMBL928702)	Inhibition of human mu-calpain
50021747	1	ChEMBL_461569 (CHEMBL927592)	Inhibition of human CYP17 expressed in Escherichia coli
50021751	2	ChEMBL_461584 (CHEMBL927607)	Inhibition of bovine PNMT by radiochemical assay
50021751	1	ChEMBL_461583 (CHEMBL927606)	Inhibition of human PNMT by radiochemical assay
50046522	3	ChEMBL_1516107 (CHEMBL3615750)	Antagonist/inverse agonist activity at human CB2 receptor transfected in Chem4 cell membranes after 30 mins by [35S]-GTPgammaS binding assay
50046522	4	ChEMBL_1516110 (CHEMBL3615753)	Displacement of [3H]-CP55940 from human CB1 receptor transfected in CHO cell membranes by liquid scintillation counting analysis
50046522	5	ChEMBL_1516111 (CHEMBL3615754)	Displacement of [3H]-CP55940 from human CB2 receptor transfected in CHO cell membranes by liquid scintillation counting analysis
50046523	1	ChEMBL_1516113 (CHEMBL3615756)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay
50046523	2	ChEMBL_1516121 (CHEMBL3615869)	Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50046524	1	ChEMBL_1513967 (CHEMBL3616153)	Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and luminometry based flash plate assay
50046524	2	ChEMBL_1513979 (CHEMBL3616165)	Inhibition of human DGAT2
50046524	3	ChEMBL_1513968 (CHEMBL3616154)	Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and luminometry based flash plate assay
50046525	3	ChEMBL_1514011 (CHEMBL3616197)	Displacement of [3H]-PK11195 from rat heart membrane TSPO
50046504	1	ChEMBL_1514214 (CHEMBL3614756)	Inhibition of Bcr-Abl (unknown origin) after 60 mins by luminescent kinase assay
50046526	1	ChEMBL_1514259 (CHEMBL3614916)	Inhibition of Trypanosoma cruzi catalytic activity of cruzain using Z-FR-AMC as substrate after 10 mins by fluorescence assay
50046527	1	ChEMBL_1514373 (CHEMBL3615452)	Inhibition of Tyk2 (unknown origin)
50046528	10	ChEMBL_1514397 (CHEMBL3615476)	Inhibition of LIMK1 (unknown origin) by radiometric assay
50046528	7	ChEMBL_1514399 (CHEMBL3615478)	Inhibition of ROCK2 (unknown origin) by radiometric assay
50046528	6	ChEMBL_1514400 (CHEMBL3615479)	Inhibition of PKA (unknown origin) by radiometric assay
50046528	9	ChEMBL_1514398 (CHEMBL3615477)	Inhibition of LIMK2 (unknown origin) by radiometric assay
50046528	8	ChEMBL_1514401 (CHEMBL3615480)	Inhibition of AKT1 (unknown origin) by radiometric assay
50046529	1	ChEMBL_1514520 (CHEMBL3616044)	Antagonist activity at human TRPM8 receptor expressed in HEK293 cells assessed as inhibition of menthol-stimulated calcium flux after 10 mins
50046529	2	ChEMBL_1514519 (CHEMBL3616043)	Antagonist activity at human TRPV3 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-stimulated calcium flux after 10 mins
50046529	3	ChEMBL_1514432 (CHEMBL3615628)	Antagonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-stimulated calcium flux after 10 mins
50046529	4	ChEMBL_1514431 (CHEMBL3615627)	Antagonist activity at mouse TRPV4 receptor expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-stimulated calcium flux after 10 mins
50046529	5	ChEMBL_1514430 (CHEMBL3615626)	Antagonist activity at mouse TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 mins
50046529	6	ChEMBL_1514429 (CHEMBL3615625)	Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-stimulated calcium flux after 10 mins
50046529	7	ChEMBL_1514427 (CHEMBL3615623)	Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 20% hypotonic solution-induced Ca2+ influx
50046529	8	ChEMBL_1514426 (CHEMBL3615622)	Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 20% hypotonic solution-induced Ca2+ influx
50046529	9	ChEMBL_1514408 (CHEMBL3615487)	Antagonist activity at rat TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 mins
50046529	10	ChEMBL_1514407 (CHEMBL3615486)	Antagonist activity at human TRPV4 receptor expressed in HEK293 cells assessed as inhibition of EC80 of 4alpha-PDD-stimulated calcium flux after 10 mins
50046530	1	ChEMBL_1515019 (CHEMBL3616083)	Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assay
50046531	1	ChEMBL_1515031 (CHEMBL3616243)	Inhibition of DGAT2 (unknown origin) using [1-14C]decanoyl-CoA and didecanoyl-sn-glycerol substrates incubated for 40 mins
50046531	2	ChEMBL_1515030 (CHEMBL3616242)	Inhibition of DGAT1 (unknown origin) assessed as effect on incorporation of [1-14C]decanoyl moiety into TG using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates
50046531	3	ChEMBL_1515029 (CHEMBL3616241)	Inhibition of MGAT2 (unknown origin) assessed as effect on incorporation of [1-14C]decanoyl moiety into DAG using [1-14C]decanoyl-CoA and 1-decanoyl-rac-glycerol as substrates
50046531	4	ChEMBL_1515028 (CHEMBL3616240)	Inhibition of MGAT1 (unknown origin) assessed as effect on incorporation of [1-14C]decanoyl moiety into DAG using [1-14C]decanoyl-CoA and 2-oleoylglycerol as substrates
50046531	5	ChEMBL_1515027 (CHEMBL3616091)	Inhibition of MGAT3 (unknown origin) assessed effect on incorporation of [1-14C]decanoyl moiety into triacylglycerol using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates pre-incubated for 30 mins before substrate addition
50046531	6	ChEMBL_1515039 (CHEMBL3616251)	Inhibition of human MGAT3 expressed in HEK293 cells assessed as effect on incorporation of [1,3-14C] glycerol into TAG by TLC method in presence of DGAT1 inhibitor PF-04620110 and DGAT2 inhibitor PF-06424439
50046531	7	ChEMBL_1515176 (CHEMBL3614523)	Inhibition of PPARgamma (unknown origin)
50046532	8	ChEMBL_1515209 (CHEMBL3614556)	Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046532	9	ChEMBL_1515208 (CHEMBL3614555)	Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046532	5	ChEMBL_1515205 (CHEMBL3614552)	Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046532	7	ChEMBL_1515206 (CHEMBL3614553)	Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046532	6	ChEMBL_1515207 (CHEMBL3614554)	Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50021767	5	ChEMBL_459992 (CHEMBL944035)	Inhibition of MMP2
50021767	4	ChEMBL_459991 (CHEMBL944034)	Inhibition of MMP3
50021767	6	ChEMBL_459993 (CHEMBL944036)	Inhibition of MMP1
50021767	2	ChEMBL_459995 (CHEMBL944038)	Inhibition of MMP13
50021768	2	ChEMBL_452358 (CHEMBL902597)	Displacement of [3H]2-methyl-2-(4-{3-{propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino}-propyl}-phenoxy)-propionic acid from human PPARgamma
50021768	1	ChEMBL_452357 (CHEMBL902596)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARalpha
50021768	5	ChEMBL_452360 (CHEMBL902599)	Agonist activity at human PPARalpha expressed in CV1 cells by receptor transactivation assay
50021768	3	ChEMBL_452359 (CHEMBL902598)	Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta
50021768	6	ChEMBL_452362 (CHEMBL902601)	Agonist activity at human PPARdelta expressed in CV1 cells by receptor transactivation assay
50021768	4	ChEMBL_452361 (CHEMBL902600)	Agonist activity at human PPARgamma expressed in CV1 cells by receptor transactivation assay
50021771	2	ChEMBL_460001 (CHEMBL944044)	Displacement of [3H]niacin from human GPR109A
50021771	1	ChEMBL_460002 (CHEMBL944045)	Agonist activity at human GPR106A by [35S]GTPgammaS binding assay
50046533	1	ChEMBL_1515213 (CHEMBL3614560)	Inhibition of Pro-caspase-6 (unknown origin)
50046533	2	ChEMBL_1515212 (CHEMBL3614559)	Inhibition of thrombin (unknown origin)
50046533	3	ChEMBL_1515211 (CHEMBL3614558)	Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in menin interaction with FITC-MBM1 peptide of MLL (4 to 15 residues) by fluorescence polarization assay
50021780	4	ChEMBL_461636 (CHEMBL928754)	Antagonist activity at mouse CXCR3
50021780	6	ChEMBL_461631 (CHEMBL928749)	Antagonist activity at human CXCR3 by [35S]GTP-gamma-S binding assay
50021780	8	ChEMBL_461640 (CHEMBL928758)	Inhibition of 5HT1A receptor
50021780	5	ChEMBL_461637 (CHEMBL928755)	Inhibition of muscarinic M1 receptor
50021780	3	ChEMBL_461650 (CHEMBL928768)	Inhibition of CYP2D6
50021780	7	ChEMBL_461642 (CHEMBL928760)	Inhibition of 5HT5A receptor
50021780	1	ChEMBL_461638 (CHEMBL928756)	Inhibition of muscarinic M2 receptor
50021780	2	ChEMBL_461639 (CHEMBL928757)	Inhibition of muscarinic M3 receptor
50021795	4	ChEMBL_461666 (CHEMBL927687)	Binding affinity to MMP3
50046534	3	ChEMBL_1515216 (CHEMBL3614673)	Inhibition of Cav3.1 channel (unknown origin) assessed as reduction in peak currents by whole cell patch-clamp method
50021795	3	ChEMBL_461662 (CHEMBL927683)	Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay
50046534	4	ChEMBL_1515218 (CHEMBL3614675)	Inhibition of Cav2.2 channel (unknown origin) assessed as reduction in peak currents by whole cell patch-clamp method
50021795	5	ChEMBL_461665 (CHEMBL927686)	Binding affinity to MMP2
50021795	2	ChEMBL_461664 (CHEMBL927685)	Binding affinity to MMP1
50046505	2	ChEMBL_1515820 (CHEMBL3614582)	Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen peroxidase after 20 mins by horseradish peroxidase/o-phenylenediamine-based assay
50046505	3	ChEMBL_1515848 (CHEMBL3614711)	Inhibition of DAAO (unknown origin)
50021798	1	ChEMBL_461677 (CHEMBL927698)	Inhibition of TCPTP by pNPP assay
50021798	2	ChEMBL_461676 (CHEMBL927697)	Inhibition of PTP1B by pNPP assay
50025625	1	ChEMBL_519498 (CHEMBL951804)	Inhibition of CDK2/Cyclin A
50021805	2	ChEMBL_452382 (CHEMBL901622)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomes
50021805	1	ChEMBL_452383 (CHEMBL901623)	Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membranes
50021806	3	ChEMBL_452394 (CHEMBL902630)	Binding affinity to human androgen receptor
50021806	1	ChEMBL_452392 (CHEMBL902628)	Binding affinity to human mineralocorticoid receptor
50021806	2	ChEMBL_452393 (CHEMBL902629)	Binding affinity to human glucocorticoid receptor
50021806	5	ChEMBL_452396 (CHEMBL902632)	Binding affinity to human estrogen receptor
50021806	4	ChEMBL_452395 (CHEMBL902631)	Binding affinity to human progesterone receptor
50021807	2	ChEMBL_452397 (CHEMBL902633)	Inhibition of human IMPDH 1
50021807	1	ChEMBL_452398 (CHEMBL902634)	Inhibition of human IMPDH 2
50021809	1	ChEMBL_452413 (CHEMBL902649)	Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50046505	1	ChEMBL_1515821 (CHEMBL3614583)	Competitive inhibition of recombinant human DAAO expressed in HEK cells by double reciprocal plot analysis in presence of D-serine
50021832	2	ChEMBL_460036 (CHEMBL943155)	Displacement of [3H]rosiglitazone from human PPARgamma receptor by scintillation proximity assay
50021832	3	ChEMBL_460035 (CHEMBL943154)	Antagonist activity at human PPARgamma receptor assessed as rosiglitazone-induced receptor activation by alphascreen assay
50025628	5	ChEMBL_497299 (CHEMBL995861)	Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat cerebral cortex by liquid scintillation counting
50025628	3	ChEMBL_497301 (CHEMBL995863)	Displacement of [3H]CCPA from adenosine A1 receptor in Wistar rat cerebral cortex by liquid scintillation counting
50025628	1	ChEMBL_497303 (CHEMBL995865)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting
50025628	2	ChEMBL_497305 (CHEMBL995867)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting
50025628	4	ChEMBL_497307 (CHEMBL995869)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting
50021836	2	ChEMBL_452418 (CHEMBL902654)	Displacement of [125I]ABMECA from human adenosine A3 receptor expressed in CHO cell membranes
50021836	1	ChEMBL_452422 (CHEMBL902658)	Activity at human adenosine A3 receptor expressed in CHO cells assessed as antagonism of Cl-IB-MECA-inhibited cAMP production
50021838	2	ChEMBL_452431 (CHEMBL902667)	Inhibition of human serum recombinant AChE by Ellman's method
50021838	1	ChEMBL_452432 (CHEMBL902668)	Inhibition of human serum recombinant BChE by Ellman's method
50021839	1	ChEMBL_452438 (CHEMBL902674)	Inhibition of human cytosolic thymidine kinase 1
50021842	2	ChEMBL_452479 (CHEMBL902716)	Inhibition of human DPP4 in Caco-2 cells by fluorescene assay
50021842	1	ChEMBL_452481 (CHEMBL902718)	Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells
50046535	1	ChEMBL_1515853 (CHEMBL3614716)	Inhibition of FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in 15-mer ssRNA (5'-CUUGUCA(m6A)CAGCAGA-3') substrate demethylation by measuring demethylation ratio at 80 uM incubated for 0.5 hrs at room temperature by LC/MS method
50046535	2	ChEMBL_1515854 (CHEMBL3614717)	Binding affinity to FTO (unknown origin) (31 to 505 residues) expressed in Escherichia coli BL21 (DE3) by ITC method
50046536	1	ChEMBL_1515871 (CHEMBL3614734)	Inhibition of rat AT2 receptor
50046536	2	ChEMBL_1515860 (CHEMBL3614723)	Inhibition of MMP12 (unknown origin)
50046537	1	ChEMBL_1515874 (CHEMBL3614737)	Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPLC-based analysis
50046538	1	ChEMBL_1515964 (CHEMBL3615167)	Inhibition of human PDE3B using FAM-cAMP by fluorescence polarization assay
50046538	2	ChEMBL_1515963 (CHEMBL3615166)	Inhibition of human PDE3A using FAM-cAMP by fluorescence polarization assay
50046539	1	ChEMBL_1516089 (CHEMBL3615732)	Inhibition of human recombinant carbonic anhydrase-1 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay
50046539	2	ChEMBL_1516090 (CHEMBL3615733)	Inhibition of human recombinant carbonic anhydrase-2 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay
50046539	3	ChEMBL_1516091 (CHEMBL3615734)	Inhibition of human recombinant carbonic anhydrase-9 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay
50046539	4	ChEMBL_1516092 (CHEMBL3615735)	Inhibition of human recombinant carbonic anhydrase-12 expressed in Escherichia coli incubated for 15 mins by stopped-flow CO2 hydration assay
50046540	1	ChEMBL_1516166 (CHEMBL3616012)	Transactivation of XBP1 (unknown origin) transfected in rat IEC-6 cells after 48 hrs by dual luciferase reporter gene assay
50046541	1	ChEMBL_1514025 (CHEMBL3616330)	Inhibition of p110alpha/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay
50046541	2	ChEMBL_1514026 (CHEMBL3616331)	Inhibition of p110beta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay
50046541	3	ChEMBL_1514028 (CHEMBL3616333)	Inhibition of p110delta/p85alpha (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay
50046541	4	ChEMBL_1514029 (CHEMBL3616334)	Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay
50046542	1	ChEMBL_1514065 (CHEMBL3614203)	Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50021849	2	ChEMBL_452611 (CHEMBL902862)	Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells
50021849	1	ChEMBL_452610 (CHEMBL902861)	Displacement of [125I]N-(3'-iodopropen-2'yl)-2-beta-carbomethoxy-3-beta-(4-chlorophenyl)tropane from DAT expressed in LLCPK1 cells
50021849	3	ChEMBL_452612 (CHEMBL902863)	Displacement of [125I]iodonisoxetine from NET expressed in LLCPK1 cells
50046542	2	ChEMBL_1514064 (CHEMBL3614202)	Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins
50021869	8	ChEMBL_461683 (CHEMBL927704)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor
50021869	1	ChEMBL_461686 (CHEMBL927707)	Displacement of [3H]SCH-23390 from human cloned dopamine D1 receptor
50021869	5	ChEMBL_461682 (CHEMBL927703)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor
50021869	10	ChEMBL_461689 (CHEMBL927710)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor
50021869	3	ChEMBL_461688 (CHEMBL927709)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor
50021869	6	ChEMBL_461681 (CHEMBL927702)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cells
50021869	2	ChEMBL_461685 (CHEMBL927706)	Displacement of [3H]LSD from human cloned 5HT7 receptor
50021869	9	ChEMBL_461690 (CHEMBL927711)	Antagonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-stimulated cAMP accumulation after 20 mins by enzyme-immunoassay
50021869	4	ChEMBL_461687 (CHEMBL927708)	Displacement of [3H]spiperone from human cloned dopamine D2 receptor
50021869	7	ChEMBL_461684 (CHEMBL927705)	Displacement of [3H]mesulergine from human cloned 5HT2C receptor
50046543	1	ChEMBL_1514071 (CHEMBL3614209)	Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method
50046543	2	ChEMBL_1514072 (CHEMBL3614210)	Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method
50021883	1	ChEMBL_461718 (CHEMBL928849)	Inhibition of human F10a by fluorescence assay
50021883	2	ChEMBL_461721 (CHEMBL928852)	Inhibition of human F10a by chromogenic assay
50021888	1	ChEMBL_461732 (CHEMBL928863)	Inhibition of GSK3-beta
50021892	2	ChEMBL_461742 (CHEMBL928873)	Inhibition of CDK2
50021892	4	ChEMBL_461738 (CHEMBL928869)	Inhibition of TrkA
50021892	3	ChEMBL_461744 (CHEMBL928875)	Inhibition of Met
50021892	1	ChEMBL_461743 (CHEMBL928874)	Inhibition of IGF1R
50021893	1	ChEMBL_461748 (CHEMBL928879)	Inhibition of Trypanosoma cruzi cruzain
50021900	1	ChEMBL_461764 (CHEMBL927770)	Displacement of [35S]MK-499 from ERG expressed in HEK293 cells
50021900	6	ChEMBL_461756 (CHEMBL927762)	Inhibition of HDAC2
50021900	7	ChEMBL_461755 (CHEMBL927761)	Inhibition of HDAC1
50021900	9	ChEMBL_461757 (CHEMBL927763)	Inhibition of HDAC3
50021900	3	ChEMBL_461761 (CHEMBL927767)	Inhibition of HDAC7
50021900	4	ChEMBL_461760 (CHEMBL927766)	Inhibition of HDAC6
50021900	8	ChEMBL_461758 (CHEMBL927764)	Inhibition of HDAC4
50021900	2	ChEMBL_461762 (CHEMBL927768)	Inhibition of HDAC8
50021908	1	ChEMBL_461799 (CHEMBL927805)	Inhibition of ovine COX1
50021908	2	ChEMBL_461798 (CHEMBL927804)	Inhibition of ovine COX2
50046544	1	ChEMBL_1514153 (CHEMBL3614497)	Inhibition of human SERT expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-SERT after 15 mins by liquid scintillation counting
50021913	2	ChEMBL_461808 (CHEMBL928937)	Displacement of [125I]IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA
50021913	4	ChEMBL_461810 (CHEMBL928939)	Antagonist activity at CXCR3 assessed as ITAC-mediated migration of human PBMC in presence of 100% human plasma
50021913	3	ChEMBL_461809 (CHEMBL928938)	Displacement of [125I]IP-10 from CXCR3 receptor expressed in human PBMC in EDTA-anti-coagulated human plasma
50021913	1	ChEMBL_461818 (CHEMBL928947)	Antagonist activity at CXCR3 assessed as MIG-mediated cell migration
50021913	7	ChEMBL_461816 (CHEMBL928945)	Antagonist activity at CXCR3 assessed as IP-10-mediated cell migration
50021913	5	ChEMBL_461811 (CHEMBL928940)	Displacement of [125I]IP-10 from CXCR3 receptor
50021913	8	ChEMBL_461817 (CHEMBL928946)	Antagonist activity at CXCR3 assessed as ITAC-mediated cell migration
50021913	6	ChEMBL_461812 (CHEMBL928941)	Displacement of [125I]ITAC from CXCR3 receptor
50046544	2	ChEMBL_1514154 (CHEMBL3614498)	Inhibition of human NET expressed in HEK293 cells assessed as reduction of serotonin reuptake using [3H]-NET after 15 mins by liquid scintillation counting
50021938	1	ChEMBL_452917 (CHEMBL903160)	Displacement of [125I]Lys3-substance P from rat NK1 receptor expressed in CHO cells
50046545	1	ChEMBL_1514156 (CHEMBL3614599)	Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis
50025641	1	ChEMBL_497315 (CHEMBL995877)	Displacement of [3H]Lys-bradykinin from human recombinant bradykinin B1 receptor expressed in CHO cells by scintillation counting
50021946	1	ChEMBL_461855 (CHEMBL927848)	Inhibition of human NEU2 expressed in HEK293 cells
50046545	2	ChEMBL_1514157 (CHEMBL3614600)	Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by Amplex red based spectrophotometric analysis
50021946	3	ChEMBL_461857 (CHEMBL927850)	Inhibition of human NEU4 expressed in HEK293 cells
50021946	2	ChEMBL_461854 (CHEMBL927847)	Inhibition of human NEU1 expressed in HEK293 cells
50021947	5	ChEMBL_461862 (CHEMBL927855)	Inhibition of ADAM10
50021947	3	ChEMBL_461864 (CHEMBL927857)	Inhibition of MMP2
50021947	2	ChEMBL_461865 (CHEMBL927858)	Inhibition of MMP3
50021947	4	ChEMBL_461863 (CHEMBL927856)	Inhibition of MMP1
50021948	1	ChEMBL_461868 (CHEMBL927861)	Inhibition of DPP4
50021948	2	ChEMBL_461870 (CHEMBL927863)	Inhibition of pig DPP4
50025644	1	ChEMBL_534971 (CHEMBL986333)	Displacement of [3H] (+)-pentazocine from sigma 1 receptor in rat liver homogenate
50021957	4	ChEMBL_460211 (CHEMBL927261)	Displacement of [3H]PDBu from PKCgamma C1A domain
50021957	1	ChEMBL_460213 (CHEMBL927263)	Displacement of [3H]PDBu from PKCdelta C1B domain
50021957	2	ChEMBL_460214 (CHEMBL927264)	Displacement of [3H]PDBu from PKCepsilon C1B domain
50046546	1	ChEMBL_1514163 (CHEMBL3614606)	Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay
50021957	9	ChEMBL_460216 (CHEMBL927266)	Displacement of [3H]PDBu from PKCtheta C1B domain
50021957	5	ChEMBL_460210 (CHEMBL927260)	Displacement of [3H]PDBu from PKCbeta C1B domain
50021958	1	ChEMBL_460248 (CHEMBL926305)	Inhibition of ovine COX1
50021958	2	ChEMBL_460247 (CHEMBL926304)	Inhibition of human recombinant COX2
50021959	4	ChEMBL_460308 (CHEMBL926379)	Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in HEK293 cells
50021959	1	ChEMBL_460311 (CHEMBL926382)	Agonist activity at human cloned dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50021959	3	ChEMBL_460309 (CHEMBL926380)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells
50021959	2	ChEMBL_460313 (CHEMBL926384)	Agonist activity at human cloned dopamine D3 receptor expressed in AtT-20 cells assessed as stimulation of [35S]GTP-gamma-S binding
50025645	1	ChEMBL_534264 (CHEMBL966862)	Displacement of [3H]SR141716 from Long-Evans rat striatal membrane CB1 receptor
50046547	1	ChEMBL_1514175 (CHEMBL3614618)	Displacement of [3H]-astemizole from human ERG
50046548	1	ChEMBL_1514582 (CHEMBL3614227)	Inhibition of human VEGFR2 after 1.5 to 2 hrs by TR-FRET assay
50046548	2	ChEMBL_1514471 (CHEMBL3615783)	Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP
50046549	1	ChEMBL_1514614 (CHEMBL3614361)	Inhibition of CYP3A4 (unknown origin)
50046549	2	ChEMBL_1514615 (CHEMBL3614362)	Inhibition of CYP2C9 (unknown origin)
50046549	3	ChEMBL_1514616 (CHEMBL3614363)	Inhibition of CYP2D6 (unknown origin)
50046549	4	ChEMBL_1514617 (CHEMBL3614364)	Inhibition of CYP2B6 (unknown origin)
50046549	5	ChEMBL_1514618 (CHEMBL3614365)	Inhibition of CYP2C19 (unknown origin)
50046550	1	ChEMBL_1514628 (CHEMBL3614375)	Inhibition of BTK (unknown origin) after 1 hr by TR-FRET assay
50046550	2	ChEMBL_1514632 (CHEMBL3614379)	Inhibition of c-MET (unknown origin) after 1 hr by ELISA based assay
50046550	3	ChEMBL_1514631 (CHEMBL3614378)	Inhibition of KDR (unknown origin) after 1 hr by ELISA based assay
50046550	4	ChEMBL_1514630 (CHEMBL3614377)	Inhibition of JAK3 (unknown origin) after 1 hr by ELISA based assay
50046550	5	ChEMBL_1514629 (CHEMBL3614376)	Inhibition of JAK2 (unknown origin) after 1 hr by ELISA based assay
50046506	8	ChEMBL_1514635 (CHEMBL3614382)	Inhibition of human FAAH expressed in COS7 cell membranes pre-incubated for 10 mins before [3H]-AEA substrate addition by liquid scintillation counting
50046506	4	ChEMBL_1514750 (CHEMBL3614951)	Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compound dilution measured after 60 mins by HPLC method
50046506	3	ChEMBL_1514751 (CHEMBL3614952)	Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compound dilution measured after 90 mins by HPLC method
50046506	7	ChEMBL_1514748 (CHEMBL3614949)	Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compound dilution measured after 10 mins by HPLC method
50046506	2	ChEMBL_1514730 (CHEMBL3614931)	Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins before 1-AG substrate addition and measured 90 mins post substrate addition by fluorescence method
50046506	9	ChEMBL_1514755 (CHEMBL3614956)	Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method
50046551	1	ChEMBL_1514757 (CHEMBL3614958)	Displacement of [3H]DPDPE from DOR in mouse whole brain membranes without cerebellum
50046551	2	ChEMBL_1514756 (CHEMBL3614957)	Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes
50046551	3	ChEMBL_1514758 (CHEMBL3614959)	Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum
50046551	4	ChEMBL_1514761 (CHEMBL3614962)	Agonist activity at human KOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50046552	1	ChEMBL_1514780 (CHEMBL3615102)	Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay
50046552	2	ChEMBL_1514779 (CHEMBL3615101)	Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay
50046552	3	ChEMBL_1514778 (CHEMBL3615100)	Inhibition of carbonic anhydrase-14 (unknown origin)
50046552	4	ChEMBL_1514777 (CHEMBL3615099)	Inhibition of carbonic anhydrase-12 (unknown origin)
50046552	5	ChEMBL_1514776 (CHEMBL3615098)	Inhibition of carbonic anhydrase-9 (unknown origin)
50046552	6	ChEMBL_1514775 (CHEMBL3615097)	Inhibition of carbonic anhydrase-6 (unknown origin)
50046552	7	ChEMBL_1514774 (CHEMBL3615096)	Inhibition of carbonic anhydrase-4 (unknown origin)
50046552	8	ChEMBL_1514773 (CHEMBL3615095)	Inhibition of carbonic anhydrase-13 (unknown origin)
50046552	9	ChEMBL_1514772 (CHEMBL3615094)	Inhibition of carbonic anhydrase-7 (unknown origin)
50046552	10	ChEMBL_1514771 (CHEMBL3615093)	Inhibition of carbonic anhydrase-5B (unknown origin)
50046552	11	ChEMBL_1514770 (CHEMBL3615092)	Inhibition of carbonic anhydrase-5A (unknown origin)
50046552	12	ChEMBL_1514769 (CHEMBL3615091)	Inhibition of carbonic anhydrase-3 (unknown origin)
50046552	13	ChEMBL_1514768 (CHEMBL3615090)	Inhibition of carbonic anhydrase-2 (unknown origin)
50021997	5	ChEMBL_461899 (CHEMBL929035)	Binding affinity at human MC4R
50021997	3	ChEMBL_461895 (CHEMBL929031)	Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells
50021997	4	ChEMBL_461898 (CHEMBL929034)	Binding affinity at MC4R
50021997	2	ChEMBL_461897 (CHEMBL929033)	Agonist activity at MC4R
50022018	4	ChEMBL_461908 (CHEMBL944755)	Inhibition of MMP1
50022018	2	ChEMBL_461906 (CHEMBL944753)	Inhibition of MMP2
50046552	14	ChEMBL_1514767 (CHEMBL3615089)	Inhibition of carbonic anhydrase-1 (unknown origin)
50046552	15	ChEMBL_1514781 (CHEMBL3615103)	Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay
50046552	16	ChEMBL_1514782 (CHEMBL3615104)	Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay
50046553	1	ChEMBL_1514893 (CHEMBL3615644)	Inhibition of CDK7 (unknown origin) by radiometric assay
50046553	2	ChEMBL_1514894 (CHEMBL3615645)	Inhibition of PI3Kalpha (unknown origin) by radiometric assay
50022018	5	ChEMBL_461909 (CHEMBL944756)	Inhibition of MMP13
50022018	1	ChEMBL_461912 (CHEMBL944759)	Inhibition of MMP3
50022021	1	ChEMBL_461927 (CHEMBL944774)	Inhibition of transketolase in human HCT116 cells
50022025	1	ChEMBL_460402 (CHEMBL927454)	Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cells
50022025	3	ChEMBL_460401 (CHEMBL927453)	Displacement of [125I]RTI-55 from human DAT expressed in MDCK cells
50022025	2	ChEMBL_460400 (CHEMBL927452)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50046553	3	ChEMBL_1514895 (CHEMBL3615646)	Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins by luminescence assay
50046553	4	ChEMBL_1514892 (CHEMBL3615643)	Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay
50022057	1	ChEMBL_461936 (CHEMBL944783)	Inhibition of rat microsomal HMGCoA reductase
50022059	2	ChEMBL_461949 (CHEMBL945737)	Antagonist activity at rat TRPV1 assessed as inhibition of capsaicin-induced calcium mobilization
50046554	1	ChEMBL_1515051 (CHEMBL3616263)	Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution addition measured after 20 mins by DELFIA
50046554	2	ChEMBL_1514932 (CHEMBL3615798)	Binding affinity to TNNI3K (unknown origin)
50046554	3	ChEMBL_1514933 (CHEMBL3615799)	Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from His6-MBP-TEV-full length human TNNI3K expressed in Baculovirus expression system after 60 mins by fluorescence polarization assay
50046554	4	ChEMBL_1514934 (CHEMBL3615800)	Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA method
50022065	1	ChEMBL_460575 (CHEMBL926651)	Inhibition of human factor 10a
50022065	2	ChEMBL_460574 (CHEMBL926650)	Inhibition of factor 7a
50022069	4	ChEMBL_461963 (CHEMBL945751)	Displacement of [125I] eotaxin from human CCR3 receptor in CHO cells
50022069	2	ChEMBL_461967 (CHEMBL945755)	Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil
50022069	3	ChEMBL_461964 (CHEMBL945752)	Antagonist activity at human CCR3 receptor assessed as inhibition of chemotaxis in eosinophil at 30 nM
50022074	4	ChEMBL_461982 (CHEMBL944825)	Displacement of [3H]8OHDPAT from human 5HT1A receptor
50022074	3	ChEMBL_461983 (CHEMBL944826)	Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells
50022074	1	ChEMBL_461981 (CHEMBL945769)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells
50022074	2	ChEMBL_461984 (CHEMBL944827)	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells
50022074	5	ChEMBL_461979 (CHEMBL945767)	Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells
50022081	2	ChEMBL_462008 (CHEMBL944851)	Inhibition of BACE2
50022081	3	ChEMBL_462006 (CHEMBL944849)	Inhibition of cathepsin D
50046555	1	ChEMBL_1515055 (CHEMBL3616267)	Inhibition of APOBEC3G (unknown origin) fluorescence-based ssDNA C-to-U deaminase assay
50046555	2	ChEMBL_1515054 (CHEMBL3616266)	Inhibition of APOBEC3A (unknown origin) by fluorescence-based ssDNA C-to-U deaminase assay
50046555	3	ChEMBL_1515076 (CHEMBL3614120)	Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination HTS assay
50046555	4	ChEMBL_1515075 (CHEMBL3614119)	Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination assay
50046556	1	ChEMBL_1515092 (CHEMBL3614136)	Inhibition of His-tagged PPM1D (1 to 420 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells using Ac-VEPPLS(P)QETFSDLW-NH2 substrate
50046556	2	ChEMBL_1515094 (CHEMBL3614138)	Non-competitive inhibition of His-tagged PPM1D (1 to 420 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells using Ac-VEPPLS(P)QETFSDLW-NH2 substrate by Lineweaver-Burk plot
50046557	1	ChEMBL_1515630 (CHEMBL3616095)	Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK293 cells after 30 mins by liquid scintillation counting analysis
50046558	1	ChEMBL_1516908 (CHEMBL3618961)	Inhibition of human NaV1.7 channel expressed in HEK293 cells treated for 120 secs by QPatch assay
50046558	2	ChEMBL_1516907 (CHEMBL3618960)	Inhibition of human NaV1.8 channel in HEK cells by patch clamp electrophysiology assay
50046558	3	ChEMBL_1516906 (CHEMBL3618959)	Inhibition of tetrodotoxin-sensitive NaV1.8 channel in human SHSY-5Y cells
50046558	4	ChEMBL_1516905 (CHEMBL3618958)	Inhibition of human NaV1.7 channel expressed in HEK cells by patch clamp electrophysiology assay
50022084	1	ChEMBL_460612 (CHEMBL927669)	Inhibition of uPA
50022100	2	ChEMBL_462016 (CHEMBL944859)	Displacement of [33S]MK499 from human ERG expressed in HEK cells
50022100	3	ChEMBL_462015 (CHEMBL944858)	Displacement of [125I]MCP1 from CCR2 receptor in human monocytes
50022100	1	ChEMBL_462022 (CHEMBL944865)	Antagonist activity at CCR2 receptor in human monocytes assessed as inhibition of MCP1-mediated chemotaxis
50022113	1	ChEMBL_462051 (CHEMBL945826)	Inhibition of alpha glucosidase from bacillus stearothermophilus
50022114	1	ChEMBL_462059 (CHEMBL945833)	Inhibition of cathepsin D
50022114	3	ChEMBL_462058 (CHEMBL945832)	Inhibition of BACE2
50046558	5	ChEMBL_1516904 (CHEMBL3618957)	Inhibition of human NaV1.7 channel expressed in HEK293 cells by patch clamp electrophysiology assay
50046558	6	ChEMBL_1516903 (CHEMBL3618956)	Inhibition of human NaV1.8 channel by patch clamp electrophysiology assay
50046558	7	ChEMBL_1516902 (CHEMBL3618955)	Inhibition of human NaV1.6 channel by patch clamp electrophysiology assay
50046558	8	ChEMBL_1516901 (CHEMBL3618954)	Inhibition of human NaV1.5 channel expressed in HEK293 cells by patch clamp electrophysiology assay
50046558	9	ChEMBL_1516900 (CHEMBL3618953)	Inhibition of human NaV1.4 channel by patch clamp electrophysiology assay
50046558	10	ChEMBL_1516899 (CHEMBL3618952)	Inhibition of human NaV1.2 channel by patch clamp electrophysiology assay
50046558	11	ChEMBL_1516898 (CHEMBL3618951)	Inhibition of human NaV1.1 channel by patch clamp electrophysiology assay
50046558	12	ChEMBL_1516897 (CHEMBL3618950)	Inhibition of human TTX-sensitive NaV1.3 channel expressed in HEK293 cells by patch clamp electrophysiology assay
50046558	13	ChEMBL_1516894 (CHEMBL3618947)	Inhibition of rat NaV1.3 channel
50046558	14	ChEMBL_1516893 (CHEMBL3618946)	Inhibition of rat NaV1.2 channel
50046558	15	ChEMBL_1516892 (CHEMBL3618945)	Inhibition of human NaV1.7 channel by patch clamp electrophysiology assay
50046558	16	ChEMBL_1516891 (CHEMBL3618944)	Inhibition of mouse NaV1.6 channel by two-electrode voltage-clamp method
50046558	17	ChEMBL_1516890 (CHEMBL3618806)	Inhibition of mouse NaV1.4 channel by two-electrode voltage-clamp method
50046558	18	ChEMBL_1516888 (CHEMBL3618804)	Inhibition of mouse NaV1.1 channel by two-electrode voltage-clamp method
50046558	19	ChEMBL_1516887 (CHEMBL3618803)	Inhibition of rat NaV1.7 channel by two-electrode voltage-clamp method
50046558	20	ChEMBL_1516883 (CHEMBL3618799)	Inhibition of NaV1.5 channel (unknown origin) expressed in Xenopus laevis oocytes by two-electrode oocyte voltage-clamp method
50046558	21	ChEMBL_1516882 (CHEMBL3618798)	Inhibition of NaV1.4 channel (unknown origin) expressed in Xenopus laevis oocytes by two-electrode oocyte voltage-clamp method
50046558	22	ChEMBL_1516881 (CHEMBL3618797)	Inhibition of NaV1.2 channel (unknown origin) expressed in Xenopus laevis oocytes by two-electrode oocyte voltage-clamp method
50046559	1	ChEMBL_1516912 (CHEMBL3618965)	Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis
50046559	2	ChEMBL_1516909 (CHEMBL3618962)	Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by fluorescent assay
50046559	3	ChEMBL_1516919 (CHEMBL3618972)	Inhibition of BCATc (unknown origin)
50046560	1	ChEMBL_1518224 (CHEMBL3619982)	Agonist activity at ERbeta (248 to 510 amino acid residues) (unknown origin) assessed as induction of interaction with SRC1 after 24 hrs by yeast two-hybrid assay
50046561	1	ChEMBL_1518225 (CHEMBL3619983)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50022147	2	ChEMBL_462094 (CHEMBL944926)	Binding affinity to GST tagged human CFTR PDZ2 domain
50022149	1	ChEMBL_462097 (CHEMBL944929)	Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells
50022149	2	ChEMBL_462099 (CHEMBL944931)	Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation
50022150	2	ChEMBL_462114 (CHEMBL944940)	Inhibition of CYP3A4
50046561	2	ChEMBL_1518226 (CHEMBL3619984)	Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50046562	1	ChEMBL_1518238 (CHEMBL3619996)	Inhibition of recombinant human activated-MMP3 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046562	2	ChEMBL_1518237 (CHEMBL3619995)	Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046562	3	ChEMBL_1518236 (CHEMBL3619994)	Inhibition of recombinant human activated-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046562	4	ChEMBL_1518239 (CHEMBL3620106)	Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046562	5	ChEMBL_1518240 (CHEMBL3620107)	Inhibition of recombinant human activated-MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046562	6	ChEMBL_1518241 (CHEMBL3620108)	Inhibition of recombinant human catalytic domain MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs followed by substrate addition measured every 10 secs for 20 mins by fluorometric assay
50046563	18	ChEMBL_1518394 (CHEMBL3620704)	Inhibition of HDAC6 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	16	ChEMBL_1518396 (CHEMBL3620706)	Inhibition of HDAC11 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	17	ChEMBL_1518393 (CHEMBL3620703)	Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	19	ChEMBL_1518391 (CHEMBL3620701)	Inhibition of HDAC2 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	13	ChEMBL_1518397 (CHEMBL3620707)	Inhibition of HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay
50046563	11	ChEMBL_1518399 (CHEMBL3620709)	Inhibition of HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay
50046563	12	ChEMBL_1518400 (CHEMBL3620825)	Inhibition of HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay
50046563	21	ChEMBL_1518390 (CHEMBL3620700)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	15	ChEMBL_1518395 (CHEMBL3620705)	Inhibition of HDAC10 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50046563	14	ChEMBL_1518398 (CHEMBL3620708)	Inhibition of HDAC5 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC fluorogenic acetylated peptide substrate by fluorometric assay
50046563	20	ChEMBL_1518392 (CHEMBL3620702)	Inhibition of HDAC3 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay
50022173	4	ChEMBL_460900 (CHEMBL943927)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293 cells
50022173	5	ChEMBL_460910 (CHEMBL943937)	Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells
50022173	3	ChEMBL_460899 (CHEMBL943926)	Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells
50022173	2	ChEMBL_460908 (CHEMBL943935)	Displacement of [3H]MRS1754 from human adenosine A2B receptor
50022173	1	ChEMBL_460909 (CHEMBL943936)	Displacement of [125I]AB-MECA from human adenosine A3 receptor
50025664	1	ChEMBL_512098 (CHEMBL978974)	Inhibition of aromatase in human placental microsomes assessed as tritiated water release after 15 mins using [1-beta, 3H]androstenedione as substrate by scintillation counting
50022180	1	ChEMBL_460933 (CHEMBL944881)	Activity at FFAR1 expressed in HEK-EM293 cells assessed as calcium influx by FLIPR assay
50022180	3	ChEMBL_460924 (CHEMBL943951)	Agonist activity at FFAR1 expressed in HEK-EM293 cells assessed as calcium influx by FLIPR assay
50022180	2	ChEMBL_460925 (CHEMBL943952)	Antagonist activity at FFAR1 expressed in HEK-EM293 cells assessed as inhibition calcium influx by FLIPR assay
50022181	1	ChEMBL_460934 (CHEMBL944882)	Displacement of 125I]-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells
50022181	2	ChEMBL_460936 (CHEMBL944884)	Agonist activity at GHSR1a expressed in CHO cells assessed as accumulation of intracellular calcium level
50022194	1	ChEMBL_461005 (CHEMBL944961)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes
50022201	1	ChEMBL_461019 (CHEMBL944975)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50046564	1	ChEMBL_1515347 (CHEMBL3615140)	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate by fluorescence assay
50046565	1	ChEMBL_1515555 (CHEMBL3615835)	Binding affinity to Mycobacterium tuberculosis H37Rv Biotin protein ligase expressed in Escherichia coli by ITC analysis
50046566	1	ChEMBL_1515744 (CHEMBL3614297)	Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphao1 by [35S]GTPgammaS binding assay
50046566	2	ChEMBL_1515746 (CHEMBL3614299)	Activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cell membranes co-expressing Galpha protein subunit Galphai2 by [35S]GTPgammaS binding assay
50046566	3	ChEMBL_1515748 (CHEMBL3614301)	Activity at pro-link-tagged D2S-ARMS2PK2 (unknown origin) expressed in HEK293 cells by beta-arrestin-2 recruitment assay
50046566	4	ChEMBL_1515737 (CHEMBL3614290)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay
50046566	5	ChEMBL_1515736 (CHEMBL3614289)	Displacement of [3H]SCH23990 from human dopamine D1 receptor expressed in CHO cell membranes by radioligand competition binding assay
50046566	6	ChEMBL_1515738 (CHEMBL3614291)	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cell membranes by radioligand competition binding assay
50046566	7	ChEMBL_1515739 (CHEMBL3614292)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes by radioligand competition binding assay
50046566	8	ChEMBL_1515742 (CHEMBL3614295)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay
50046567	1	ChEMBL_1515751 (CHEMBL3614304)	Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis
50046567	2	ChEMBL_1515752 (CHEMBL3614305)	Displacement of [3H]-DPDPE from human delta opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis
50046567	3	ChEMBL_1515755 (CHEMBL3614308)	Agonist activity at mu opioid receptor in electrically-stimulated guinea pig isolated ileum assessed as inhibition of muscle contraction
50046567	4	ChEMBL_1515758 (CHEMBL3614311)	Displacement of [3H]-DAMGO from Swiss Webster mouse neural membranes mu opioid receptor after 60 mins by liquid scintillation spectrometric analysis
50046567	5	ChEMBL_1515759 (CHEMBL3614312)	Displacement of [3H]-DPDPE from Swiss Webster mouse neural membranes delta opioid receptor after 60 mins by liquid scintillation spectrometric analysis
50046567	6	ChEMBL_1515760 (CHEMBL3614313)	Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferens
50046567	7	ChEMBL_1515812 (CHEMBL3614574)	Agonist activity at mu opioid receptor in beta-funaltrexamine-treated guinea pig isolated ileum
50046568	1	ChEMBL_1518515 (CHEMBL3618901)	Binding affinity to human 5HT1F receptor by radioligand binding assay
50046568	2	ChEMBL_1518514 (CHEMBL3618900)	Binding affinity to 5HT1A receptor (unknown origin)
50046568	3	ChEMBL_1518525 (CHEMBL3618911)	Agonist activity at human 5HT1F receptor expressed in LM(tk-) cells by [35S]GTPgammaS binding assay
50046569	1	ChEMBL_1518543 (CHEMBL3619082)	Antagonist activity at recombinant human glucagon receptor expressed in CHO cells assessed as inhibition of glucagon-stimulated intracellular cAMP formation preincubated for 30 mins followed by glucagon stimulation measured after 45 mins by LANCE assay
50046569	2	ChEMBL_1518544 (CHEMBL3619083)	Antagonist activity at human glucagon receptor expressed in CHO cells assessed as inhibition of glucagon-stimulated intracellular cAMP formation preincubated for 30 mins followed by glucagon stimulation measured after 30 mins by liquid scintillation counting analysis in presence of [125I]-cAMP
50046569	3	ChEMBL_1518545 (CHEMBL3619084)	Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by liquid scintillation counting analysis
50046569	4	ChEMBL_1518547 (CHEMBL3619086)	Displacement of [125I]-glucagon from human glucagon receptor expressed in Chem-1 cell membranes after 6 to 10 hrs by scintillation proximity assay
50046569	5	ChEMBL_1518548 (CHEMBL3619087)	Displacement of [125I]-glucagon from full length human glucagon receptor expressed in HEK293 cell membranes after 2 hrs by scintillation counting analysis
50046569	6	ChEMBL_1518549 (CHEMBL3619088)	Antagonist activity at human glucagon receptor expressed in HEK293 cell membranes assessed as inhibition of glucagon-stimulated intracellular cAMP formation preincubated for 30 mins followed by glucagon stimulation measured after 5 mins by TR-FRET analysis
50046570	1	ChEMBL_1516973 (CHEMBL3619308)	Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxidase based couple assay
50046570	2	ChEMBL_1516972 (CHEMBL3619307)	Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as reduction in beta-elimination of L-serine at by spectrophotomtery
50046571	1	ChEMBL_1517137 (CHEMBL3619920)	Inhibition of c-Abl (unknown origin)
50046571	2	ChEMBL_1517136 (CHEMBL3619919)	Inhibition of Hck (unknown origin)
50046571	3	ChEMBL_1517135 (CHEMBL3619918)	Inhibition of c-Yes (unknown origin)
50046571	4	ChEMBL_1517134 (CHEMBL3619917)	Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)
50046571	5	ChEMBL_1517133 (CHEMBL3619916)	Inhibition of c-Src (unknown origin)
50046571	6	ChEMBL_1517141 (CHEMBL3619924)	Inhibition of c-Src E280G mutant (unknown origin)
50046572	1	ChEMBL_1517142 (CHEMBL3619925)	Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay
50046572	2	ChEMBL_1517143 (CHEMBL3619926)	Inhibition of fatty acid synthase keto-reductase domain (unknown origin)
50046573	1	ChEMBL_1517645 (CHEMBL3619821)	Inhibition of Bcr-Abl (unknown origin) after 1 hr by luminescence assay
50022204	2	ChEMBL_461066 (CHEMBL944098)	Inhibition of human recombinant DHFR
50022204	1	ChEMBL_461088 (CHEMBL945034)	Inhibition of human CYP2D6
50025667	1	ChEMBL_497335 (CHEMBL999374)	Inhibition of human DPP4 expressed in baculovirus system
50022210	1	ChEMBL_462153 (CHEMBL944981)	Inhibition of recombinant HDAC1
50022210	2	ChEMBL_462156 (CHEMBL944984)	Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275
50022215	2	ChEMBL_462165 (CHEMBL944993)	Inhibition of p38alpha
50022215	3	ChEMBL_462166 (CHEMBL944994)	Inhibition of JNK3
50022215	1	ChEMBL_462167 (CHEMBL944995)	Inhibition of JNK2
50022216	1	ChEMBL_462185 (CHEMBL945013)	Inhibition of CYP2C9
50022219	3	ChEMBL_462211 (CHEMBL945980)	Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes
50022219	6	ChEMBL_462213 (CHEMBL945982)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes
50022219	1	ChEMBL_462212 (CHEMBL945981)	Displacement of [3H]naltrindole from delta opioid receptor in rat brain membranes
50022219	5	ChEMBL_462215 (CHEMBL945984)	Antagonist activity at mu opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based calcium assay
50022219	2	ChEMBL_462211 (CHEMBL945980)	Displacement of [3H]naloxone from mu opioid receptor in rat brain membranes
50046574	1	ChEMBL_1517783 (CHEMBL3620379)	Inhibition of ERK2 (unknown origin) after 45 mins by IMAP assay
50046574	2	ChEMBL_1517782 (CHEMBL3620378)	Inhibition of ERK1 (unknown origin) after 45 mins by IMAP assay
50046574	3	ChEMBL_1517781 (CHEMBL3620377)	Inhibition of ERK2 (unknown origin)
50046574	4	ChEMBL_1517780 (CHEMBL3620376)	Inhibition of ERK1 (unknown origin)
50046575	1	ChEMBL_1517784 (CHEMBL3620380)	Inhibition of PI3Kalpha (unknown origin) by alpha screen assay
50022226	1	ChEMBL_461110 (CHEMBL945056)	Inhibition of CYP2C9
50022247	1	ChEMBL_462237 (CHEMBL945071)	Inhibition of carboxypeptidase B
50022251	2	ChEMBL_462238 (CHEMBL945072)	Agonist activity at progesterone receptor expressed in CHO cells by luciferase assay
50022251	1	ChEMBL_462239 (CHEMBL945073)	Inhibition of progesterone receptor expressed in CHO cells by luciferase assay
50046575	2	ChEMBL_1517785 (CHEMBL3620381)	Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay
50046575	3	ChEMBL_1517786 (CHEMBL3620382)	Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by alpha screen assay
50046575	4	ChEMBL_1517790 (CHEMBL3620386)	Inhibition of PI3Kbeta (unknown origin) by alpha screen assay
50046575	5	ChEMBL_1517791 (CHEMBL3620387)	Inhibition of PI3Kgamma (unknown origin) by alpha screen assay
50046575	6	ChEMBL_1517792 (CHEMBL3620388)	Inhibition of PI3Kdelta (unknown origin) by alpha screen assay
50046576	1	ChEMBL_1517970 (CHEMBL3618675)	Inhibition of CYP3A4 (unknown origin)
50046576	2	ChEMBL_1517969 (CHEMBL3618674)	Inhibition of CYP2D6 (unknown origin)
50046576	3	ChEMBL_1517968 (CHEMBL3618673)	Inhibition of CYP2C9 (unknown origin)
50046576	4	ChEMBL_1517967 (CHEMBL3618672)	Inhibition of CYP1A2 (unknown origin)
50046577	1	ChEMBL_1517982 (CHEMBL3618687)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
50046577	2	ChEMBL_1517984 (CHEMBL3618841)	Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
50022256	1	ChEMBL_462279 (CHEMBL946042)	Antagonist activity at human CCR2 receptor
50022257	4	ChEMBL_462283 (CHEMBL946046)	Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells
50022257	1	ChEMBL_462280 (CHEMBL946043)	Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes
50022257	3	ChEMBL_462282 (CHEMBL946045)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes
50022257	2	ChEMBL_462281 (CHEMBL946044)	Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes
50022259	1	ChEMBL_462288 (CHEMBL946051)	Inhibition of ovine COX2 by chemiluminescent assay
50022259	2	ChEMBL_462287 (CHEMBL946050)	Inhibition of ovine COX1 by chemiluminescent assay
50025681	1	ChEMBL_515021 (CHEMBL980832)	Binding affinity to human prolactin receptor extracellular binding domain by surface plasmon response
50022289	1	ChEMBL_462336 (CHEMBL945156)	Inhibition of CD45
50022295	1	ChEMBL_462399 (CHEMBL927215)	Inhibition of CXCR1
50022295	2	ChEMBL_462398 (CHEMBL927214)	Inhibition of CXCR2
50022295	3	ChEMBL_462401 (CHEMBL927217)	Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2
50022295	4	ChEMBL_462402 (CHEMBL927218)	Inhibition of CXCR1-mediated chemotaxis in Ba/F3 cells expressing human CXCR1
50022303	1	ChEMBL_462407 (CHEMBL927223)	Inhibition of Complement C1s subcomponent
50022304	1	ChEMBL_462418 (CHEMBL927234)	Inhibition of human cytoplasmic FMS expressed in Sf9-baculovirus system after 80 mins by fluorescence polarization
50022304	2	ChEMBL_462425 (CHEMBL927241)	Inhibition of Kit after 30 mins by fluorescence polarization
50022304	3	ChEMBL_462427 (CHEMBL927243)	Inhibition of TrkA after 27 mins by fluorescence polarization
50022304	5	ChEMBL_462428 (CHEMBL927244)	Inhibition of Flt3 after 25 mins by fluorescence polarization
50022304	4	ChEMBL_462426 (CHEMBL927242)	Inhibition of Axl after 11 mins by fluorescence polarization
50046577	3	ChEMBL_1517986 (CHEMBL3618843)	Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
50046577	4	ChEMBL_1517988 (CHEMBL3618845)	Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
50046577	5	ChEMBL_1517990 (CHEMBL3618847)	Agonist activity at human muscarinic M5 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay
50046578	1	ChEMBL_1518114 (CHEMBL3619397)	Inhibition of human poly(A)-selective ribonuclease Caf1 by fluorescence-based assay
50046578	2	ChEMBL_1518115 (CHEMBL3619398)	Inhibition of PARN (unknown origin)
50046579	1	ChEMBL_1518279 (CHEMBL3620254)	Binding affinity to Lymnaea stagnalis AChBP after 300 seconds by SPR biosensor analysis
50046579	2	ChEMBL_1518281 (CHEMBL3620256)	Binding affinity to alpha4beta2 (unknown origin)
50025693	1	ChEMBL_512589 (CHEMBL967900)	Inhibition of DPP4 in human Caco-2 cells after 60 mins by fluorimetry assay
50025694	1	ChEMBL_542755 (CHEMBL1016811)	Antagonist activity at TRPV1 in rat DRG neuron assessed as inhibition of calcium uptake
50046580	1	ChEMBL_1518285 (CHEMBL3620260)	Antagonist activity against human glucagon receptor expressed in CHO cells assessed as reduction in glucagon-induced cAMP production
50046580	2	ChEMBL_1518286 (CHEMBL3620261)	Antagonist activity against human glucose dependent insulinotropic peptide receptor by cAMP accumulation assay
50046580	3	ChEMBL_1518284 (CHEMBL3620259)	Displacement of [125I]glucagon from human glucagon receptor expressed in CHO cell membranes
50022310	1	ChEMBL_462458 (CHEMBL928323)	Inhibition of ACE2
50025696	1	ChEMBL_534562 (CHEMBL988123)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane
50025696	3	ChEMBL_534563 (CHEMBL988124)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHOK1 cells
50025696	2	ChEMBL_534564 (CHEMBL988125)	Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay
50022332	3	ChEMBL_462549 (CHEMBL928475)	Inhibition of IGF1R
50022332	2	ChEMBL_462547 (CHEMBL928473)	Inhibition of FLT3
50022332	9	ChEMBL_462554 (CHEMBL928480)	Inhibition of Axl kinase
50022332	12	ChEMBL_462553 (CHEMBL928479)	Inhibition of PKB
50022332	5	ChEMBL_462539 (CHEMBL929549)	Inhibition of FGFR1
50022332	7	ChEMBL_462536 (CHEMBL929546)	Inhibition of cSrc
50022332	10	ChEMBL_462537 (CHEMBL929547)	Inhibition of EGFR
50022332	4	ChEMBL_462538 (CHEMBL929548)	Inhibition of cABL
50022332	13	ChEMBL_462542 (CHEMBL929552)	Inhibition of Tie2
50022332	14	ChEMBL_462551 (CHEMBL928477)	Inhibition of CDK2
50022332	6	ChEMBL_462543 (CHEMBL929553)	Inhibition of PDGFRbeta
50022332	1	ChEMBL_462548 (CHEMBL928474)	Inhibition of cMet
50022332	11	ChEMBL_462540 (CHEMBL929550)	Inhibition of cKit
50022332	16	ChEMBL_462541 (CHEMBL929551)	Inhibition of KDR
50022332	8	ChEMBL_462545 (CHEMBL929555)	Inhibition of EphB4
50022332	15	ChEMBL_462550 (CHEMBL928476)	Inhibition of JAK2
50025700	2	ChEMBL_497353 (CHEMBL999392)	Inhibition of human recombinant CYP2B6
50022359	3	ChEMBL_462572 (CHEMBL928498)	Agonist activity at human PPARalpha by GAL4 transactivation assay
50022359	1	ChEMBL_462571 (CHEMBL928497)	Displacement of [3H]Rosiglitazone from human PPARgamma
50046581	1	ChEMBL_1518302 (CHEMBL3620277)	Inhibition of 11beta-HSD1 in human mixed sex human liver microsomes assessed as reduction in conversion of [3H]-cortisone to [3H]-cortisol pre-incubated for 15 mins before [3H]-cortisone addition in presence of NADPH by scintillation proximity assay
50022359	2	ChEMBL_462574 (CHEMBL928500)	Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643
50022360	1	ChEMBL_462578 (CHEMBL928504)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level
50022360	3	ChEMBL_462576 (CHEMBL928502)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells
50022360	2	ChEMBL_462577 (CHEMBL928503)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells
50025706	1	ChEMBL_529685 (CHEMBL972103)	Binding affinity to CYP2C9
50022372	1	ChEMBL_462588 (CHEMBL928514)	Antagonist activity at human CCR2b receptor
50022373	1	ChEMBL_462589 (CHEMBL928515)	Inhibition of IGF1R
50022373	2	ChEMBL_462590 (CHEMBL928516)	Inhibition of IGF1R expressed in SAL cells
50025709	1	ChEMBL_529831 (CHEMBL967534)	Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system
50025710	1	ChEMBL_529838 (CHEMBL967541)	Inhibition of human topoisomerase 2alpha decantation activity
50046582	4	ChEMBL_1518305 (CHEMBL3620280)	Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in presence of 2% human serum albumin
50046582	2	ChEMBL_1518307 (CHEMBL3620282)	Agonist activity at human GLP1 receptor expressed in BHK cells after 3 hrs by CRE firefly luciferase reporter gene assay in absence of human serum albumin
50025712	1	ChEMBL_540069 (CHEMBL1036637)	Inhibition of COX2
50046583	1	ChEMBL_1518585 (CHEMBL3619268)	Inhibition of PARP1 (unknown origin)
50046584	1	ChEMBL_1517675 (CHEMBL3619957)	Inhibition of PARP1 (unknown origin)
50022388	1	ChEMBL_462623 (CHEMBL929612)	Inhibition of pig kidney cytosolic leucine aminopeptidase
50046585	1	ChEMBL_1517687 (CHEMBL3620075)	Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay
50046585	2	ChEMBL_1517689 (CHEMBL3620077)	Inhibition of Keap1 (unknown origin) interaction to Nrf2
50046586	1	ChEMBL_1517833 (CHEMBL3620524)	Inhibition of human neutrophil elastase
50046586	2	ChEMBL_1517852 (CHEMBL3620648)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate after 60 mins by fluorescence assay
50046586	3	ChEMBL_1517837 (CHEMBL3620528)	Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val 7-amido-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins
50046586	4	ChEMBL_1517836 (CHEMBL3620527)	Inhibition of human neutrophil elastase using suc-Ala-Pro-Ala-pNA as substrate after 30 mins by spectrophotometric analysis
50046586	5	ChEMBL_1517831 (CHEMBL3620522)	Inhibition of neutrophil elastase in human whole blood using MeO-Succ-Ala-Ala-Pro-Val-pNA as substrate after 30 mins by colorimetric analysis
50046586	6	ChEMBL_1517854 (CHEMBL3620650)	Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay
50046586	7	ChEMBL_1517835 (CHEMBL3620526)	Inhibition of human neutrophil elastase using MeO-Succ-Ala-Ala-Pro-Val-AMC as substrate after 30 mins by fluorescence assay
50046587	1	ChEMBL_1517856 (CHEMBL3620652)	Inhibition of CYP26A1 (unknown origin)
50046587	2	ChEMBL_1517857 (CHEMBL3620653)	Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins in dark condition with NADPH and ATRA by HPLC method
50025717	1	ChEMBL_529877 (CHEMBL968427)	Inhibition of aldose reductase in rat lenses
50025726	1	ChEMBL_529904 (CHEMBL971219)	Displacement of [125I]alpha-bungarotoxin from bovine alpha7 nAChR expressed in HEK293 cells
50046587	3	ChEMBL_1517864 (CHEMBL3620660)	Inhibition of CYP3A4 (unknown origin) incubated for 45 mins using NADPH by fluorescence assay
50046587	4	ChEMBL_1517865 (CHEMBL3620661)	Inhibition of CYP2D6 (unknown origin) incubated for 45 mins using NADPH and ATRA by HPLC assay
50046588	1	ChEMBL_1517873 (CHEMBL3620669)	Inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 1 hr by fluorescence photometric analysis
50046588	2	ChEMBL_1517874 (CHEMBL3620670)	Non-competitive inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by Dixon plot analysis
50046588	3	ChEMBL_1517875 (CHEMBL3620671)	Mixed-type inhibition of sEH (unknown origin) using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde measured during 30 mins by Dixon plot analysis
50046589	1	ChEMBL_1518019 (CHEMBL3618876)	Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric assay
50046590	1	ChEMBL_1518043 (CHEMBL3619044)	Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
50046590	2	ChEMBL_1518045 (CHEMBL3619046)	Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
50046590	3	ChEMBL_1518044 (CHEMBL3619045)	Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter
50046590	4	ChEMBL_1518053 (CHEMBL3619054)	Displacement of [33P]S1P from human S1P1 expressed in CHO-K1 cells by scintillation counter
50046590	5	ChEMBL_1518054 (CHEMBL3619055)	Displacement of [33P]S1P from human S1P3 expressed in CHO-K1 cells by scintillation counter
50046590	6	ChEMBL_1518055 (CHEMBL3619056)	Displacement of [33P]S1P from human S1P4 expressed in CHO-K1 cells by scintillation counter
50046590	7	ChEMBL_1518056 (CHEMBL3619057)	Displacement of [33P]S1P from human S1P5 expressed in CHO-K1 cells by scintillation counter
50046591	1	ChEMBL_1518061 (CHEMBL3619062)	Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method
50022468	6	ChEMBL_462715 (CHEMBL928636)	Inhibition of human recombinant c-Met expressed in insect cell-baculovirus expression system
50022468	2	ChEMBL_462733 (CHEMBL928654)	Inhibition of TrkA
50022468	3	ChEMBL_462731 (CHEMBL928652)	Inhibition of HER2
50022468	4	ChEMBL_462727 (CHEMBL928648)	Inhibition of VEGFR2
50022468	1	ChEMBL_462732 (CHEMBL928653)	Inhibition of MK2
50022468	8	ChEMBL_462734 (CHEMBL928655)	Inhibition of lck
50022468	7	ChEMBL_462725 (CHEMBL928646)	Inhibition of IGF1R
50022468	5	ChEMBL_462728 (CHEMBL928649)	Inhibition of CDK2
50022487	3	ChEMBL_462737 (CHEMBL928658)	Antagonist activity at MC4 receptor assessed as inhibition of alpha-MSH-stimulated cAMP production
50022487	2	ChEMBL_462744 (CHEMBL928665)	Binding affinity to MC4 receptor
50022487	4	ChEMBL_462735 (CHEMBL928656)	Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells
50022487	1	ChEMBL_462736 (CHEMBL928657)	Agonist activity at MC4 receptor by cAMP assay
50022493	27	ChEMBL_462846 (CHEMBL929804)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.05 mM threitol
50022493	4	ChEMBL_462825 (CHEMBL928738)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM tris-(carboxyethyl)-phosphine
50022493	34	ChEMBL_462804 (CHEMBL928717)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 10 mM dithiothreitol
50022493	36	ChEMBL_462807 (CHEMBL928720)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM beta-mercaptoethanol
50022493	1	ChEMBL_462822 (CHEMBL928735)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 10 mM beta-mercaptoethanol
50022493	5	ChEMBL_462826 (CHEMBL928739)	Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM tris-(carboxyethyl)-phosphine
50022493	73	ChEMBL_462812 (CHEMBL928725)	Inhibition of human carbonic anhydrase 2 in presence of 0.10 mM beta-mercaptoethanol
50022493	30	ChEMBL_462786 (CHEMBL929748)	Inhibition of human carbonic anhydrase 9 catalytic domain
50022493	8	ChEMBL_462829 (CHEMBL928742)	Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM tris-(carboxyethyl)-phosphine
50022493	31	ChEMBL_462840 (CHEMBL929798)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 10 mM tris-(carboxyethyl)-phosphine
50022493	37	ChEMBL_462842 (CHEMBL929800)	Inhibition of human carbonic anhydrase 2 in presence of 0.01 mM threitol
50022493	32	ChEMBL_462805 (CHEMBL928718)	Inhibition of human carbonic anhydrase 9 in presence of 10 mM dithiothreitol
50022493	6	ChEMBL_462827 (CHEMBL928740)	Inhibition of human carbonic anhydrase 2 in presence of 0.05 mM tris-(carboxyethyl)-phosphine
50022493	35	ChEMBL_462789 (CHEMBL929751)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM dithiothreitol
50022493	46	ChEMBL_462791 (CHEMBL929753)	Inhibition of human carbonic anhydrase 2 in presence of 0.05 mM dithiothreitol
50022493	21	ChEMBL_462848 (CHEMBL929806)	Inhibition of human carbonic anhydrase 2 in presence of 0.10 mM threitol
50022493	65	ChEMBL_462817 (CHEMBL928730)	Inhibition of human carbonic anhydrase 9 in presence of 0.25 mM beta-mercaptoethanol
50022493	41	ChEMBL_462800 (CHEMBL928713)	Inhibition of human carbonic anhydrase 2 in presence of 1.00 mM dithiothreitol
50022493	40	ChEMBL_462801 (CHEMBL928714)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 1.00 mM dithiothreitol
50022493	23	ChEMBL_462787 (CHEMBL929749)	Inhibition of human carbonic anhydrase 9
50022493	19	ChEMBL_462832 (CHEMBL928745)	Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM tris-(carboxyethyl)-phosphine
50022493	74	ChEMBL_462811 (CHEMBL928724)	Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM beta-mercaptoethanol
50022493	59	ChEMBL_462798 (CHEMBL928711)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.25 mM dithiothreitol
50022493	64	ChEMBL_462854 (CHEMBL929812)	Inhibition of human carbonic anhydrase 2 in presence of 1.00 mM threitol
50022493	49	ChEMBL_462792 (CHEMBL929754)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.05 mM dithiothreitol
50022493	28	ChEMBL_462785 (CHEMBL929747)	Inhibition of human carbonic anhydrase 2
50022493	3	ChEMBL_462824 (CHEMBL928737)	Inhibition of human carbonic anhydrase 2 in presence of 0.01 mM tris-(carboxyethyl)-phosphine
50022493	26	ChEMBL_462788 (CHEMBL929750)	Inhibition of human carbonic anhydrase 2 in presence of 0.01 mM dithiothreitol
50022493	20	ChEMBL_462830 (CHEMBL928743)	Inhibition of human carbonic anhydrase 2 in presence of 0.10 mM tris-(carboxyethyl)-phosphine
50022493	13	ChEMBL_462833 (CHEMBL929791)	Inhibition of human carbonic anhydrase 2 in presence of 0.25 mM tris-(carboxyethyl)-phosphine
50022493	66	ChEMBL_462851 (CHEMBL929809)	Inhibition of human carbonic anhydrase 2 in presence of 0.25 mM threitol
50022493	24	ChEMBL_462844 (CHEMBL929802)	Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM threitol
50022493	67	ChEMBL_462816 (CHEMBL928729)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.25 mM beta-mercaptoethanol
50022493	18	ChEMBL_462831 (CHEMBL928744)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.10 mM tris-(carboxyethyl)-phosphine
50022493	45	ChEMBL_462809 (CHEMBL928722)	Inhibition of human carbonic anhydrase 2 in presence of 0.05 mM beta-mercaptoethanol
50022493	52	ChEMBL_462859 (CHEMBL928777)	Inhibition of human carbonic anhydrase 9 in presence of 10 mM threitol
50022493	9	ChEMBL_462820 (CHEMBL928733)	Inhibition of human carbonic anhydrase 9 in presence of 1.00 mM beta-mercaptoethanol
50022493	43	ChEMBL_462802 (CHEMBL928715)	Inhibition of human carbonic anhydrase 9 in presence of 1.00 mM dithiothreitol
50022493	7	ChEMBL_462828 (CHEMBL928741)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.05 mM tris-(carboxyethyl)-phosphine
50022493	12	ChEMBL_462836 (CHEMBL929794)	Inhibition of human carbonic anhydrase 2 in presence of 1.00 mM tris-(carboxyethyl)-phosphine
50022493	55	ChEMBL_462796 (CHEMBL928709)	Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM dithiothreitol
50022493	72	ChEMBL_462850 (CHEMBL929808)	Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM threitol
50022493	38	ChEMBL_462843 (CHEMBL929801)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.01 mM threitol
50022493	15	ChEMBL_462839 (CHEMBL929797)	Inhibition of human carbonic anhydrase 2 in presence of 10 mM tris-(carboxyethyl)-phosphine
50022493	39	ChEMBL_462806 (CHEMBL928719)	Inhibition of human carbonic anhydrase 2 in presence of 0.01 mM beta-mercaptoethanol
50022493	14	ChEMBL_462834 (CHEMBL929792)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.25 mM tris-(carboxyethyl)-phosphine
50022493	16	ChEMBL_462837 (CHEMBL929795)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 1.00 mM tris-(carboxyethyl)-phosphine
50022493	53	ChEMBL_462795 (CHEMBL928708)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.10 mM dithiothreitol
50022493	61	ChEMBL_462799 (CHEMBL928712)	Inhibition of human carbonic anhydrase 9 in presence of 0.25 mM dithiothreitol
50022493	69	ChEMBL_462852 (CHEMBL929810)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.25 mM threitol
50022493	71	ChEMBL_462813 (CHEMBL928726)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.10 mM beta-mercaptoethanol
50022493	17	ChEMBL_462838 (CHEMBL929796)	Inhibition of human carbonic anhydrase 9 in presence of 1.00 mM tris-(carboxyethyl)-phosphine
50022493	68	ChEMBL_462815 (CHEMBL928728)	Inhibition of human carbonic anhydrase 2 in presence of 0.25 mM beta-mercaptoethanol
50022493	25	ChEMBL_462845 (CHEMBL929803)	Inhibition of human carbonic anhydrase 2 in presence of 0.05 mM threitol
50022493	75	ChEMBL_462819 (CHEMBL928732)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 1.00 mM beta-mercaptoethanol
50022493	42	ChEMBL_462803 (CHEMBL928716)	Inhibition of human carbonic anhydrase 2 in presence of 10 mM dithiothreitol
50022493	51	ChEMBL_462794 (CHEMBL929756)	Inhibition of human carbonic anhydrase 2 in presence of 0.10 mM dithiothreitol
50022493	22	ChEMBL_462849 (CHEMBL929807)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.10 mM threitol
50022493	11	ChEMBL_462835 (CHEMBL929793)	Inhibition of human carbonic anhydrase 9 in presence of 0.25 mM tris-(carboxyethyl)-phosphine
50022493	2	ChEMBL_462823 (CHEMBL928736)	Inhibition of human carbonic anhydrase 9 in presence of 10 mM beta-mercaptoethanol
50022493	44	ChEMBL_462808 (CHEMBL928721)	Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM beta-mercaptoethanol
50022493	33	ChEMBL_462841 (CHEMBL929799)	Inhibition of human carbonic anhydrase 9 in presence of 10 mM tris-(carboxyethyl)-phosphine
50022493	63	ChEMBL_462818 (CHEMBL928731)	Inhibition of human carbonic anhydrase 2 in presence of 1.00 mM beta-mercaptoethanol
50022493	48	ChEMBL_462810 (CHEMBL928723)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 0.05 mM beta-mercaptoethanol
50022493	47	ChEMBL_462790 (CHEMBL929752)	Inhibition of human carbonic anhydrase 9 in presence of 0.01 mM dithiothreitol
50022493	57	ChEMBL_462858 (CHEMBL929816)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 10 mM threitol
50022493	70	ChEMBL_462814 (CHEMBL928727)	Inhibition of human carbonic anhydrase 9 in presence of 0.10 mM beta-mercaptoethanol
50022493	29	ChEMBL_462847 (CHEMBL929805)	Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM threitol
50022493	50	ChEMBL_462793 (CHEMBL929755)	Inhibition of human carbonic anhydrase 9 in presence of 0.05 mM dithiothreitol
50022493	54	ChEMBL_462857 (CHEMBL929815)	Inhibition of human carbonic anhydrase 2 in presence of 10 mM threitol
50022493	58	ChEMBL_462855 (CHEMBL929813)	Inhibition of human carbonic anhydrase 9 catalytic domain in presence of 1.00 mM threitol
50022493	62	ChEMBL_462853 (CHEMBL929811)	Inhibition of human carbonic anhydrase 9 in presence of 0.25 mM threitol
50022493	60	ChEMBL_462856 (CHEMBL929814)	Inhibition of human carbonic anhydrase 9 in presence of 1.00 mM threitol
50022493	10	ChEMBL_462821 (CHEMBL928734)	Inhibition of human carbonic anhydrase 2 in presence of 10 mM beta-mercaptoethanol
50022493	56	ChEMBL_462797 (CHEMBL928710)	Inhibition of human carbonic anhydrase 2 in presence of 0.25 mM dithiothreitol
50022501	1	ChEMBL_462868 (CHEMBL928786)	Inhibition of human placenta beta-N-acetylglucosaminidase
50025754	1	ChEMBL_533376 (CHEMBL980602)	Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy
50025754	2	ChEMBL_533377 (CHEMBL980603)	Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy
50046592	1	ChEMBL_1518193 (CHEMBL3619840)	Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis
50046592	2	ChEMBL_1518194 (CHEMBL3619841)	Inhibition of human ERG expressed in CHO cells assessed as channel current by Q-patch electrophysiological assay
50046592	3	ChEMBL_1518195 (CHEMBL3619842)	Inhibition of human ERG by flux assay
50025765	2	ChEMBL_529970 (CHEMBL975041)	Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells
50025765	1	ChEMBL_529971 (CHEMBL975042)	Protection of human pregnane X receptor against proteolytic digestion in presence of trypsin
50022534	2	ChEMBL_462938 (CHEMBL929872)	Inhibition of human recombinant TIE2 by HTRF assay
50022534	4	ChEMBL_462950 (CHEMBL929884)	Inhibition of c-src
50022534	7	ChEMBL_462957 (CHEMBL929891)	Inhibition of VEGFR1
50022534	5	ChEMBL_462951 (CHEMBL929885)	Inhibition of EGFR
50046592	4	ChEMBL_1518498 (CHEMBL3618884)	Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as inhibition of MCH-induced Ca2+ influx for 120 mins by FLIPR assay
50046592	5	ChEMBL_1518192 (CHEMBL3619839)	Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis
50025768	1	ChEMBL_533420 (CHEMBL983381)	Inhibition of rat DNA polymerase beta
50025768	2	ChEMBL_533421 (CHEMBL983382)	Inhibition of human DNA polymerase gamma
50025769	2	ChEMBL_543835 (CHEMBL1016025)	Inhibition of IGF1R
50025769	4	ChEMBL_543836 (CHEMBL1016026)	Inhibition of cMet
50025769	5	ChEMBL_543837 (CHEMBL1016027)	Inhibition of Ret
50025769	6	ChEMBL_543838 (CHEMBL1016028)	Inhibition of Src
50025769	3	ChEMBL_543841 (CHEMBL1016031)	Inhibition of CDK2/Cyclin A
50025769	1	ChEMBL_543834 (CHEMBL1016024)	Inhibition of KDR
50025769	7	ChEMBL_543839 (CHEMBL1016029)	Inhibition of c-Abl
50022545	1	ChEMBL_462988 (CHEMBL928909)	Inhibition of human erbB2 autophosphorylation in MCF7 cells
50022545	3	ChEMBL_462993 (CHEMBL928914)	Inhibition of EGF-stimulated human EGFR autophosphorylation in KB cells
50022545	5	ChEMBL_462997 (CHEMBL928906)	Inhibition of human ERG
50022549	3	ChEMBL_463023 (CHEMBL929947)	Inhibition of human p38alpha
50022549	1	ChEMBL_463025 (CHEMBL929949)	Inhibition of Lck
50022549	5	ChEMBL_463059 (CHEMBL928969)	Inhibition of human p38-gamma
50022549	4	ChEMBL_463058 (CHEMBL928968)	Inhibition of human p38beta
50022549	2	ChEMBL_463060 (CHEMBL928970)	Inhibition of human p38delta
50025772	1	ChEMBL_529989 (CHEMBL975905)	Binding affinity to Serratia marcescens chitinase B
50025773	1	ChEMBL_533438 (CHEMBL984306)	Promotion of flag-tagged cIAP1 degradation in human HT1080 cells assessed as decrease in cIAPI production after 3 hrs
50025776	1	ChEMBL_543859 (CHEMBL1016834)	Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically
50025779	1	ChEMBL_542756 (CHEMBL1016812)	Inhibition of EGFR
50025780	5	ChEMBL_533452 (CHEMBL986944)	Agonist activity at rat dopamine D2(short) receptor expressed in CHOK1 cells by [35S]GTPgammaS binding assay
50025780	2	ChEMBL_533451 (CHEMBL986943)	Displacement of [3H]raclopride from rat dopamine D2(short) receptor expressed in CHOK1 cells
50025780	1	ChEMBL_533449 (CHEMBL986941)	Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane
50025780	3	ChEMBL_533450 (CHEMBL986942)	Displacement of [3H]raclopride from human cloned dopamine D2 receptor expressed in CHO cell membrane
50025780	4	ChEMBL_533454 (CHEMBL986946)	Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells
50025781	4	ChEMBL_518579 (CHEMBL959583)	Inhibition of human recombinant cathepsin K by fluorescence assay
50025781	1	ChEMBL_518580 (CHEMBL959584)	Inhibition of human recombinant cathepsin B by fluorescence assay
50025781	6	ChEMBL_518576 (CHEMBL959580)	Inhibition of human recombinant cathepsin S by fluorescence assay
50046593	1	ChEMBL_1518633 (CHEMBL3619576)	Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate assessed as formation of dopachrome by spectrophotometric analysis
50025793	1	ChEMBL_543878 (CHEMBL1016853)	Agonist activity at human PPARalpha expressed in african green monkey CV1 cells co-transfected with Gal4 assessed as reporter activity by transient transactivation assay
50025793	3	ChEMBL_544072 (CHEMBL1019532)	Agonist activity at human PPARgamma expressed in african green monkey CV1 cells co-transfected with Gal4 assessed as reporter activity by transient transactivation assay
50025793	2	ChEMBL_544073 (CHEMBL1019533)	Agonist activity at human PPARdelta expressed in african green monkey CV1 cells co-transfected with Gal4 assessed as reporter activity by transient transactivation assay
50022603	2	ChEMBL_463076 (CHEMBL928986)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells
50022603	1	ChEMBL_463077 (CHEMBL928987)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells
50022603	3	ChEMBL_463080 (CHEMBL928990)	Inhibition of CYP3A4
50022603	4	ChEMBL_463091 (CHEMBL929001)	Binding affinity at adenosine A2A receptor
50022603	7	ChEMBL_463084 (CHEMBL928994)	Inhibition of rat adenosine A2A receptor
50022603	6	ChEMBL_463092 (CHEMBL929002)	Binding affinity at adenosine A1 receptor
50022603	8	ChEMBL_463081 (CHEMBL928991)	Inhibition of CYP2D6
50022603	9	ChEMBL_463082 (CHEMBL928992)	Binding affinity at human ERG
50022603	5	ChEMBL_463083 (CHEMBL928993)	Inhibition of human ERG by patch clamp assay
50025806	1	ChEMBL_544081 (CHEMBL1019541)	Agonist activity at human PPARalpha in U2OS cells by transactivation assay
50025806	2	ChEMBL_544083 (CHEMBL1019543)	Agonist activity at human PPARgamma in U2OS cells by transactivation assay
50046594	1	ChEMBL_1518634 (CHEMBL3619577)	Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15 mins by fluorometric analysis
50046594	2	ChEMBL_1518636 (CHEMBL3619579)	Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to testing measured for 15 mins by fluorometric analysis
50046594	3	ChEMBL_1518635 (CHEMBL3619578)	Inhibition of porcine kidney microsomal APN using L-Leu-para-nitroanilide as substrate incubated for 2 hrs prior to substrate addition measured after 30 mins by plate reader analysis
50025810	3	ChEMBL_530922 (CHEMBL969336)	Displacement of [3H]DAMGO from mu opioid receptor in human SH-SY5Y cells
50025810	2	ChEMBL_530927 (CHEMBL969341)	Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with DMEM medium after 15 mins
50025810	1	ChEMBL_530928 (CHEMBL970213)	Agonist activity at mu opioid receptor assessed as inhibition of forskolin-induced cAMP production in human SH-SY5Y cells pretreated for 24 hrs with excess ligand after 15 mins
50025812	2	ChEMBL_530935 (CHEMBL970220)	Inhibition of caspase 1
50025812	1	ChEMBL_530936 (CHEMBL970221)	Inhibition of MMP3
50025814	2	ChEMBL_531164 (CHEMBL974050)	Inhibition of cdc25B
50025814	3	ChEMBL_531176 (CHEMBL974062)	Inhibition of PAI1
50025815	1	ChEMBL_518618 (CHEMBL962763)	Transcriptional activation of Gal4(1-147) tagged glucocorticoid receptor in human HeLa cells by luciferase reporter gene assay relative to OxDex-AEEA
50046595	1	ChEMBL_1518642 (CHEMBL3619585)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes
50025827	1	ChEMBL_518627 (CHEMBL962772)	Inhibition of human recombinant c-Src by filter-binding assay
50025827	2	ChEMBL_518628 (CHEMBL962773)	Inhibition of human recombinant Abl by filter-binding assay
50025828	2	ChEMBL_518637 (CHEMBL962782)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50025828	1	ChEMBL_518639 (CHEMBL962784)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO cells
50046595	2	ChEMBL_1518644 (CHEMBL3619587)	Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes
50025837	1	ChEMBL_531228 (CHEMBL983416)	Inhibition of equine serum BuChE by Ellman's assay
50025837	2	ChEMBL_531226 (CHEMBL983414)	Inhibition of electric eel AChE type 6S by Ellman's assay
50025843	1	ChEMBL_531442 (CHEMBL967623)	Inhibition of human carbonic anhydrase 2 by stopped flow technique
50025843	3	ChEMBL_531443 (CHEMBL967624)	Inhibition of human carbonic anhydrase 9 by stopped flow technique
50025843	2	ChEMBL_531441 (CHEMBL967622)	Inhibition of human carbonic anhydrase 1 by stopped flow technique
50022656	2	ChEMBL_463094 (CHEMBL929004)	Inhibition of CDK4
50022656	1	ChEMBL_463093 (CHEMBL929003)	Inhibition of CDK2
50022656	3	ChEMBL_463095 (CHEMBL929005)	Inhibition of CDK1
50022657	2	ChEMBL_463101 (CHEMBL929011)	Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells
50022657	3	ChEMBL_463102 (CHEMBL930008)	Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane
50022657	1	ChEMBL_463107 (CHEMBL930013)	Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes
50022658	3	ChEMBL_463124 (CHEMBL930030)	Inhibition of mouse carbonic anhydrase 13 assessed as 4-nitrophenyl acetate hydrolysis
50022658	4	ChEMBL_463125 (CHEMBL929037)	Inhibition of human carbonic anhydrase 1 assessed as 4-nitrophenyl phosphate hydrolysis
50022658	1	ChEMBL_463122 (CHEMBL930028)	Inhibition of human carbonic anhydrase 1 assessed as 4-nitrophenyl acetate hydrolysis
50022658	2	ChEMBL_463123 (CHEMBL930029)	Inhibition of human carbonic anhydrase 2 assessed as 4-nitrophenyl acetate hydrolysis
50022658	5	ChEMBL_463126 (CHEMBL929038)	Inhibition of human carbonic anhydrase 2 assessed as 4-nitrophenyl phosphate hydrolysis
50022658	6	ChEMBL_463127 (CHEMBL929039)	Inhibition of mouse carbonic anhydrase 13 assessed as 4-nitrophenyl phosphate hydrolysis
50025852	1	ChEMBL_530099 (CHEMBL967597)	Inhibition of human recombinant cyclooxygenase 2
50025852	2	ChEMBL_530100 (CHEMBL967598)	Inhibition of ovine cyclooxygenase 1
50022664	1	ChEMBL_463141 (CHEMBL929053)	Inhibition of electric eel acetylcholinesterase
50025858	1	ChEMBL_531525 (CHEMBL987016)	Inhibition of Mushroom tyrosinase
50022668	1	ChEMBL_463142 (CHEMBL929054)	Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3)
50046595	3	ChEMBL_1518645 (CHEMBL3619588)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP
50046595	4	ChEMBL_1518646 (CHEMBL3619589)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP
50046595	5	ChEMBL_1518648 (CHEMBL3619714)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP
50046595	6	ChEMBL_1518649 (CHEMBL3619715)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP
50025866	1	ChEMBL_530127 (CHEMBL969250)	Displacement of [3H]Quinuclidinyl benzilate from muscarinic M1 receptor in Wistar rat cortex synaptosomal membrane
50025870	2	ChEMBL_518899 (CHEMBL940643)	Inhibition of MMP2 by microtiter plate fluorimetric assay
50025870	1	ChEMBL_518900 (CHEMBL940644)	Inhibition of aminopeptidase N by microtiter plate fluorimetric assay
50025876	4	ChEMBL_518917 (CHEMBL940661)	Inhibition of human recombinant MMP8 by fluorogenic substrate assay
50046595	7	ChEMBL_1518653 (CHEMBL3619719)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat whole brain membranes
50046595	8	ChEMBL_1518654 (CHEMBL3619720)	Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes
50046595	9	ChEMBL_1518655 (CHEMBL3619721)	Displacement of [3H]-PIA from Adenosine A1 receptor in Wistar rat brain membranes
50046595	10	ChEMBL_1518656 (CHEMBL3619722)	Displacement of [3H]-NECA from Adenosine A2A receptor in Wistar rat striatal membranes
50046595	11	ChEMBL_1518658 (CHEMBL3619724)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in absence of GTP
50025877	2	ChEMBL_530191 (CHEMBL973054)	Inhibition of human DNA polymerase beta
50046595	12	ChEMBL_1518659 (CHEMBL3619725)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in presence of GTP
50046595	13	ChEMBL_1518663 (CHEMBL3619729)	Binding affinity to Adenosine A1 receptor in rat brain tissue by radioligand displacement assay
50046595	14	ChEMBL_1518664 (CHEMBL3619730)	Binding affinity to Adenosine A2A receptor in rat brain tissue by radioligand displacement assay
50046595	15	ChEMBL_1518666 (CHEMBL3619732)	Displacement of [3H]-N6-(2-phenylisopropyl)adenosine from Adenosine A1 receptor in rat cortical membranes
50046595	16	ChEMBL_1518667 (CHEMBL3619733)	Displacement of [3H]-CGS 21680 from Adenosine A2A receptor in rat cortical membranes
50046595	17	ChEMBL_1518662 (CHEMBL3619728)	Displacement of [3H]-DPCPX from Adenosine A1 receptor in Lister hooded rat brain membranes
50046595	18	ChEMBL_1518668 (CHEMBL3619734)	Displacement of [3H]-ZM241385 from Adenosine A2A receptor in Lister hooded rat brain membranes
50046596	1	ChEMBL_1516310 (CHEMBL3618750)	Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis
50025879	2	ChEMBL_530192 (CHEMBL973055)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells
50025879	1	ChEMBL_530193 (CHEMBL973056)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells
50025889	3	ChEMBL_530278 (CHEMBL979545)	Agonist activity at rabbit urethra adrenergic alpha1A receptor
50025889	8	ChEMBL_530294 (CHEMBL979561)	Binding affinity to 5HT1B
50025889	2	ChEMBL_530289 (CHEMBL979556)	Binding affinity to adrenergic alpha1A receptor
50025889	5	ChEMBL_530297 (CHEMBL979564)	Binding affinity to adrenergic Alpha-1B receptor
50025889	4	ChEMBL_530300 (CHEMBL980362)	Binding affinity to 5HT2A
50025895	4	ChEMBL_532535 (CHEMBL976971)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx
50046596	2	ChEMBL_1516326 (CHEMBL3618918)	Inhibition of human pancreatic alpha-amylase assessed as hydrolysis of G3F by Dixon plot analysis
50046596	3	ChEMBL_1516327 (CHEMBL3618919)	Inhibition of human salivary alpha-amylase using rice starch as substrate after 12 mins by microplate reader analysis
50046596	4	ChEMBL_1516328 (CHEMBL3618920)	Inhibition of porcine pancreatic alpha-amylase using soluble starch as substrate after 30 mins by Bernfeld method
50046596	5	ChEMBL_1516330 (CHEMBL3618922)	Inhibition of recombinant barley alpha-amylase isozyme-1 using DP17 amylose as substrate preincubated for 5 mins followed by substrate addition by copper-bicinchoninate method
50046596	6	ChEMBL_1516331 (CHEMBL3618923)	Inhibition of HSP90 (unknown origin)
50046596	7	ChEMBL_1516316 (CHEMBL3618756)	Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins by Dixon plot analysis
50046596	8	ChEMBL_1516329 (CHEMBL3618921)	Inhibition of porcine pancreatic alpha-amylase using DP17 amylose as substrate preincubated for 5 mins followed by substrate addition by copper-bicinchoninate method
50025897	2	ChEMBL_530304 (CHEMBL980366)	Inhibition of human recombinant caspase 3 preincubated for 10 mins
50025897	4	ChEMBL_530305 (CHEMBL980367)	Inhibition of human recombinant caspase 7 preincubated for 10 mins
50025897	3	ChEMBL_530306 (CHEMBL980368)	Inhibition of human recombinant caspase 8 preincubated for 10 mins
50025897	1	ChEMBL_530307 (CHEMBL980369)	Inhibition of human recombinant caspase 9 preincubated for 10 mins
50025900	1	ChEMBL_530311 (CHEMBL980373)	Inhibition of Leishmania mexicana pyruvate kinase
50025900	2	ChEMBL_530309 (CHEMBL980371)	Inhibition of Trypanosoma brucei phosphofructokinase
50025902	2	ChEMBL_532956 (CHEMBL986933)	Inhibition of Cdk1/cyclin B
50025902	1	ChEMBL_532958 (CHEMBL986935)	Inhibition of Cdk2/cyclin A
50025903	1	ChEMBL_532961 (CHEMBL989631)	Inhibition of Mycobacterium tuberculosis Enoyl-[acyl-carrier-protein] reductase
50046596	9	ChEMBL_1516315 (CHEMBL3618755)	Inhibition of human pancreatic alpha-amylase expressed in Pichia pastoris using amylase as substrate preincubated with substrate for 10 mins followed by protein addition measured every 5 mins
50046596	10	ChEMBL_1516317 (CHEMBL3618757)	Inhibition of human salivary alpha-amylase using GalG2CNP as substrate
50046596	11	ChEMBL_1516318 (CHEMBL3618758)	Inhibition of human pancreatic alpha-amylase
50046596	12	ChEMBL_1516319 (CHEMBL3618759)	Inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by spectrophotometric analysis
50046596	13	ChEMBL_1516320 (CHEMBL3618912)	Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis
50046596	14	ChEMBL_1516321 (CHEMBL3618913)	Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis
50025912	1	ChEMBL_518934 (CHEMBL941522)	Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK cells
50025916	2	ChEMBL_530366 (CHEMBL968462)	Inhibition of bovine pancreatic carboxypeptidase A
50025916	1	ChEMBL_530367 (CHEMBL968463)	Inhibition of human carboxypeptidase B
50025919	1	ChEMBL_499944 (CHEMBL1019314)	Inhibition of human serum BChE by Ellman's method
50025919	2	ChEMBL_499943 (CHEMBL1019313)	Inhibition of human recombinant AChE by Ellman's method
50046597	1	ChEMBL_1516355 (CHEMBL3619098)	Allosteric modulation of GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current by two-microelectrode voltage-clamp method
50046597	2	ChEMBL_1516357 (CHEMBL3619100)	Partial agonist activity at GABAAalpha1beta2gamma2s receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as induction of chloride current by two-microelectrode voltage-clamp method
50025925	2	ChEMBL_532974 (CHEMBL989644)	Binding affinity to HPV1a recombinant E2 protein by surface plasmon resonance method
50025925	1	ChEMBL_532975 (CHEMBL989645)	Binding affinity to HPV1a recombinant E2 protein activator domain by surface plasmon resonance assay
50025925	4	ChEMBL_532976 (CHEMBL989646)	Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assay
50025925	3	ChEMBL_532977 (CHEMBL989647)	Binding affinity to HPV1a recombinant E2 protein DNA binding domain by surface plasmon resonance assay
50025925	5	ChEMBL_532978 (CHEMBL989648)	Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance method
50025925	6	ChEMBL_532980 (CHEMBL989650)	Binding affinity to HPV16 recombinant E2 protein by surface plasmon resonance method
50025936	1	ChEMBL_543160 (CHEMBL1014320)	Inhibition of gamma-glutamyltranspeptidase by colorimetric assay
50025937	1	ChEMBL_533037 (CHEMBL993243)	Inhibition of HTLV1 protease1
50046598	1	ChEMBL_1516465 (CHEMBL3619606)	Agonist activity at human FFA1 expressed in CHO cells assessed as induction of receptor activation by measuring Ca2+influx incubated for by FLIPR method
50025946	3	ChEMBL_543203 (CHEMBL1017798)	Displacement of [3H]resiniferatoxin from rat TRPV1 expressed in CHO cells by scintillation counting
50025946	1	ChEMBL_543204 (CHEMBL1017799)	Agonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay
50025946	2	ChEMBL_543205 (CHEMBL1017800)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as capsaicin-stimulated 45Ca2+ uptake
50046599	1	ChEMBL_1520598 (CHEMBL3625146)	Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60 mins by FLIPR assay
50046599	2	ChEMBL_1520596 (CHEMBL3625144)	Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay
50046600	1	ChEMBL_1520751 (CHEMBL3625774)	Inhibition of human KV1.5 expressed in mouse L929 cells assessed as decrease in ultrarapid potassium current amplitude
50046601	1	ChEMBL_1520975 (CHEMBL3624279)	Agonist activity at GFP-fused human FPN transfected in HEK293 cells assessed as protein degradation after 24 hrs by flow cytometric analysis
50025959	1	ChEMBL_532304 (CHEMBL973227)	Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRHR2 expressed in HEK2935 cells
50025963	1	ChEMBL_532313 (CHEMBL973236)	Inhibition of Plasmodium falciparum spermidine synthase
50025964	4	ChEMBL_532725 (CHEMBL971388)	Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells
50025964	3	ChEMBL_532724 (CHEMBL971387)	Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells
50025964	1	ChEMBL_532727 (CHEMBL971390)	Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50025964	2	ChEMBL_532729 (CHEMBL971392)	Agonist activity at human dopamine D3 receptor expressed in mouse ATt-20 cells assessed as stimulation of [35S]GTPgammaS binding
50046602	1	ChEMBL_1520984 (CHEMBL3624288)	Activation of human Kv7.2/7.3 expressed in CHOK1 cells
50046602	2	ChEMBL_1520985 (CHEMBL3624289)	Activation of human Kv7.4 expressed in CHOK1 cells
50046602	3	ChEMBL_1520988 (CHEMBL3624292)	Activation of human Kv7.1/KCNE1 expressed in CHOK1 cells
50046602	4	ChEMBL_1520990 (CHEMBL3624294)	Activation of rat Kv7.4 expressed in CHOK1 cells
50046603	1	ChEMBL_1521447 (CHEMBL3627244)	Inhibition of STS activity in human MCF7 cells
50046603	2	ChEMBL_1521449 (CHEMBL3627246)	Inhibition of STS activity in human placental microsome
50046603	3	ChEMBL_1521451 (CHEMBL3627248)	Inhibition of human carbonic anhydrase 2
50046603	4	ChEMBL_1521456 (CHEMBL3627253)	Inhibition of CYP1A2 in human liver microsomes
50046603	5	ChEMBL_1521492 (CHEMBL3627330)	Inhibition of STS (unknown origin) expressed in HEK293 cells
50046603	6	ChEMBL_1521493 (CHEMBL3627331)	Binding affinity to human ER-alpha
50046603	7	ChEMBL_1521502 (CHEMBL3627340)	Inhibition of STS activity (unknown origin) expressed in JEG-3 cells
50046603	8	ChEMBL_1521503 (CHEMBL3627341)	Inhibition of aromatase (unknown origin) expressed in JEG-3 cells
50046603	9	ChEMBL_1521477 (CHEMBL3627274)	Inhibition of carbonic anhydrase 2 (unknown origin)
50046603	10	ChEMBL_1521478 (CHEMBL3627275)	Inhibition of STS activity in human placental microsome in presence of [3H]-estrone sulfate
50046603	11	ChEMBL_1521484 (CHEMBL3627322)	Inhibition of STS activity in human JEG-3 cells by liquid scintillation spectrometry in presence of [6,7-3H]estrone3-sulfate
50046603	12	ChEMBL_1521505 (CHEMBL3627343)	Inhibition of aromatase (unknown origin)
50046603	13	ChEMBL_1521507 (CHEMBL3627345)	Inhibition of STS activity (unknown origin)
50046603	14	ChEMBL_1521496 (CHEMBL3627334)	Inhibition of aromatase in human placental microsome
50046604	1	ChEMBL_1521715 (CHEMBL3626538)	Binding affinity to guinea pig histamine H4 receptor
50046604	2	ChEMBL_1521716 (CHEMBL3626539)	Binding affinity to mouse histamine H4 receptor
50046604	3	ChEMBL_1521717 (CHEMBL3626540)	Binding affinity to rat histamine H4 receptor
50046604	4	ChEMBL_1521718 (CHEMBL3626541)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells
50046604	5	ChEMBL_1521721 (CHEMBL3626544)	Displacement of [3H]histamine from guinea pig histamine H4 receptor expressed in HEK293T cells
50046604	6	ChEMBL_1521722 (CHEMBL3626545)	Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293T cells
50046604	7	ChEMBL_1521723 (CHEMBL3626546)	Displacement of [3H]histamine from mouse histamine H4 receptor expressed in HEK293T cells
50046604	8	ChEMBL_1521724 (CHEMBL3626547)	Displacement of [3H]histamine from human recombinant histamine H4 receptor
50046604	9	ChEMBL_1521725 (CHEMBL3626548)	Displacement of [3H]histamine from mouse recombinant histamine H4 receptor
50046604	10	ChEMBL_1521728 (CHEMBL3626551)	Displacement of [3H]histamine from guinea pig recombinant histamine H4 receptor
50046604	11	ChEMBL_1521729 (CHEMBL3626552)	Displacement of [3H]histamine from rat recombinant histamine H4 receptor
50046604	12	ChEMBL_1521714 (CHEMBL3626537)	Binding affinity to human histamine H4 receptor
50046604	13	ChEMBL_1521713 (CHEMBL3626536)	Binding affinity to histamine H2 receptor (unknown origin)
50046604	14	ChEMBL_1521513 (CHEMBL3627351)	Binding affinity to histamine H1 receptor (unknown origin)
50046604	15	ChEMBL_1521514 (CHEMBL3627352)	Binding affinity to histamine H4 receptor (unknown origin)
50046604	16	ChEMBL_1521712 (CHEMBL3626535)	Binding affinity to histamine H3 receptor (unknown origin)
50046605	1	ChEMBL_1521730 (CHEMBL3626553)	Inhibition of Thiomicrospira crunogena XCL-2 alpha-carbonic anhydrase expressed in Escherichia coli BL21 (DE3) cells by [18O]-exchange mass spectroscopy
50046605	2	ChEMBL_1521734 (CHEMBL3626557)	Inhibition of human carbonic anhydrase-1 by [18O]-exchange mass spectroscopy
50046605	3	ChEMBL_1521735 (CHEMBL3626558)	Inhibition of human carbonic anhydrase-2 by [18O]-exchange mass spectroscopy
50046606	1	ChEMBL_1521759 (CHEMBL3626582)	Inhibition of JAK1 (unknown origin) after 20 mins by radiometric analysis in presence of [gamma33P]-ATP
50046606	2	ChEMBL_1521760 (CHEMBL3626583)	Inhibition of JAK2 (unknown origin) after 20 mins by radiometric analysis in presence of [gamma33P]-ATP
50046606	3	ChEMBL_1521761 (CHEMBL3626584)	Inhibition of TYK2 (unknown origin) after 20 mins by radiometric analysis in presence of [gamma33P]-ATP
50046606	4	ChEMBL_1521764 (CHEMBL3626587)	Inhibition of HDAC5 in human HeLa nuclear extracts by fluorometric assay
50046606	5	ChEMBL_1521758 (CHEMBL3626581)	Inhibition of JAK3 (unknown origin) after 20 mins by radiometric analysis in presence of [gamma33P]-ATP
50046606	6	ChEMBL_1521757 (CHEMBL3626580)	Inhibition of HDAC6 in human HeLa nuclear extracts by fluorometric assay
50046606	7	ChEMBL_1521756 (CHEMBL3626579)	Inhibition of HDAC4 in human HeLa nuclear extracts by fluorometric assay
50046606	8	ChEMBL_1521755 (CHEMBL3626578)	Inhibition of HDAC8 in human HeLa nuclear extracts by fluorometric assay
50046606	9	ChEMBL_1521754 (CHEMBL3626577)	Inhibition of HDAC3 in human HeLa nuclear extracts by fluorometric assay
50046606	10	ChEMBL_1521753 (CHEMBL3626576)	Inhibition of HDAC1 in human HeLa nuclear extracts by fluorometric assay
50046606	11	ChEMBL_1521766 (CHEMBL3626589)	Binding affinity to human p300 by ITC analysis
50046606	12	ChEMBL_1521765 (CHEMBL3626588)	Binding affinity to human CBP by ITC analysis
50046606	13	ChEMBL_1521752 (CHEMBL3626575)	Inhibition of recombinant human HDAC6 using RHKKAc as substrate by fluorescence assay
50046606	14	ChEMBL_1521768 (CHEMBL3626591)	Inhibition of GRP94 (unknown origin) expressed in HEK293 cells assessed as reduction of Toll-like receptor trafficking to cell membrane treated for 24 hrs prior to testing by DAPI staining-based epifluorescence microscopic analysis
50046606	15	ChEMBL_1521769 (CHEMBL3626592)	Inhibition of recombinant human mTOR by TR-FRET analysis
50046606	16	ChEMBL_1521751 (CHEMBL3626574)	Inhibition of recombinant human PI3Kdelta by TR-FRET analysis
50046606	17	ChEMBL_1521750 (CHEMBL3626573)	Inhibition of recombinant human PI3Kgamma by TR-FRET analysis
50046606	18	ChEMBL_1521749 (CHEMBL3626572)	Inhibition of recombinant human PI3Kbeta by TR-FRET analysis
50046606	19	ChEMBL_1521748 (CHEMBL3626571)	Inhibition of recombinant human PI3Kalpha by TR-FRET analysis
50046606	20	ChEMBL_1521744 (CHEMBL3626567)	Inhibition of recombinant human Vps34 by TR-FRET analysis
50046606	21	ChEMBL_1521763 (CHEMBL3626586)	Inhibition of LSD1 (unknown origin)
50046606	22	ChEMBL_1521747 (CHEMBL3626570)	Inhibition of MAO-A (unknown origin)
50046606	23	ChEMBL_1521762 (CHEMBL3626585)	Inhibition of N-terminal hexahistidine-tagged human LSD1 (1 to 852 amino acid residues) expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate preincubated for 5 mins followed by substrate addition measured for 30 mins by peroxidase-coupled method
50046606	24	ChEMBL_1521746 (CHEMBL3626569)	Inhibition of human MAO-B using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate after 60 mins by MAO-Glo assay
50046606	25	ChEMBL_1521745 (CHEMBL3626568)	Inhibition of human MAO-A using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate after 60 mins by MAO-Glo assay
50046607	1	ChEMBL_1521772 (CHEMBL3626595)	Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HEK293 cells after 60 mins by liquid scintillation spectrometry
50046607	2	ChEMBL_1521959 (CHEMBL3626983)	Agonist activity at human 5-HT6 receptor expressed in HeLa cells after 10 mins by scintillation proximity assay
50046607	3	ChEMBL_1521958 (CHEMBL3626982)	Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter
50046607	4	ChEMBL_1521957 (CHEMBL3626981)	Displacement of radioligand from human 5-HT6 receptor expressed in HeLa cells by scintillation counter
50046607	5	ChEMBL_1521956 (CHEMBL3626980)	Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter
50046607	6	ChEMBL_1521952 (CHEMBL3626976)	Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor transfected in HeLa cells after 60 mins by scintillation spectrometry
50046607	7	ChEMBL_1521950 (CHEMBL3626974)	Binding affinity to human recombinant alpha2 adrenergic receptor
50046607	8	ChEMBL_1521780 (CHEMBL3626603)	Binding affinity to 5-HT7 receptor (unknown origin)
50046607	9	ChEMBL_1521778 (CHEMBL3626601)	Binding affinity to 5-HT2B receptor (unknown origin)
50046607	10	ChEMBL_1521771 (CHEMBL3626594)	Agonist activity at 5-HT6 receptor (unknown origin)
50046607	11	ChEMBL_1521776 (CHEMBL3626599)	Displacement of [3H] lysergic acid diethylamide from rat 5-HT6 receptor transfected in HEK293 cells after 60 mins by scintillation counter
50046608	1	ChEMBL_1522200 (CHEMBL3627496)	Displacement of [125I]orexin-A from human OX1R expressed in CHO cell membranes by scintillation counting method
50046608	2	ChEMBL_1522201 (CHEMBL3627548)	Displacement of [125I]orexin-A from human OX2R expressed in HEK293 cell membranes by scintillation counting method
50046608	3	ChEMBL_1522006 (CHEMBL3627113)	Agonist activity at human OX2R expressed in CHOK1 cells by NFAT-response luciferase reporter gene assay
50025971	1	ChEMBL_533255 (CHEMBL972357)	Inhibition of factor 10a
50025971	2	ChEMBL_533253 (CHEMBL972355)	Inhibition of thrombin
50025973	1	ChEMBL_533265 (CHEMBL973283)	Displacement of [3H]3-methylhistidyl-TRH from rat recombinant TRH2 receptor expressed in HEK2935 cells
50046608	4	ChEMBL_1522009 (CHEMBL3627116)	Agonist activity at human OX1R expressed in CHOK1 cells by calcium mobilization assay
50046609	1	ChEMBL_1522243 (CHEMBL3626472)	Antagonist activity at human PKR1 expressed in rat RBL2H3 cells assessed as inhibition of PK1-stimulated intracellular calcium release incubated for 10 mins prior to PK1 stimulation by FLIPR assay
50046610	1	ChEMBL_1522245 (CHEMBL3626474)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50046610	2	ChEMBL_1522244 (CHEMBL3626473)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells
50046610	3	ChEMBL_1522249 (CHEMBL3626478)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cells
50046610	4	ChEMBL_1522248 (CHEMBL3626477)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells
50046610	5	ChEMBL_1522247 (CHEMBL3626476)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells
50046610	6	ChEMBL_1522246 (CHEMBL3626475)	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cells
50046611	1	ChEMBL_1522251 (CHEMBL3626480)	Inhibition of human Kir1.1 expressed in HEK293 cells by thallium flux assay
50046612	1	ChEMBL_1522252 (CHEMBL3626481)	Inhibition of gamma-secretase in human H4 cells expressing human wild type APP75I cDNA assessed as reduction in amyloid beta peptides incubated for 16 to 18 hrs by ELISA method
50025979	8	ChEMBL_555528 (CHEMBL963788)	Displacement of [125I]NDP-MSH from human MC1R expressed in HEK293 cells
50046613	1	ChEMBL_1522254 (CHEMBL3626483)	Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate
50046614	10	ChEMBL_1518830 (CHEMBL3625504)	Activation of PXR (unknown origin)
50046614	9	ChEMBL_1518811 (CHEMBL3625485)	Inhibition of recombinant Fyn (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046614	3	ChEMBL_1518801 (CHEMBL3625475)	Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046614	8	ChEMBL_1518800 (CHEMBL3625474)	Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assay
50025979	2	ChEMBL_555531 (CHEMBL963791)	Displacement of [125I]NDP-MSH from human MC5R expressed in HEK293 cells
50046614	11	ChEMBL_1518809 (CHEMBL3625483)	Inhibition of recombinant LCK (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046614	5	ChEMBL_1518802 (CHEMBL3625476)	Inhibition of recombinant JAK1 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046614	6	ChEMBL_1518799 (CHEMBL3625473)	Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay
50046614	12	ChEMBL_1518828 (CHEMBL3625502)	Inhibition of CYP3A4 in human liver microsomes
50025979	9	ChEMBL_533294 (CHEMBL976122)	Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of alpha-MSH-induced cAMP production by ELISA
50025979	3	ChEMBL_555532 (CHEMBL963792)	Inhibition of ghrelin receptor
50025979	12	ChEMBL_555589 (CHEMBL965636)	Binding affinity at mouse MC3R
50025979	6	ChEMBL_555590 (CHEMBL965637)	Binding affinity at rat MC4R
50025980	2	ChEMBL_555909 (CHEMBL956645)	Inhibition of human recombinant AchE after 20 mins by Ellman's method
50025980	1	ChEMBL_555910 (CHEMBL956646)	Inhibition of human serum BuchE after 20 mins by Ellman's method
50025982	3	ChEMBL_555922 (CHEMBL956658)	Binding affinity at human GnRH receptor
50025982	4	ChEMBL_555923 (CHEMBL956659)	Binding affinity at monkey GnRH receptor
50025982	6	ChEMBL_555924 (CHEMBL956660)	Binding affinity at rat GnRH receptor
50025982	1	ChEMBL_555927 (CHEMBL956663)	Binding affinity at human GnRH receptor by calcium mobilization assay
50025982	2	ChEMBL_555928 (CHEMBL956664)	Binding affinity at human GnRH receptor by competition binding assay
50025982	9	ChEMBL_555930 (CHEMBL956666)	Binding affinity at rat GnRH receptor by competition binding assay
50025982	5	ChEMBL_555933 (CHEMBL959117)	Binding affinity at rat GnRH receptor by whole cell binding assay
50025982	7	ChEMBL_555945 (CHEMBL959129)	Activity at human GnRH receptor by inositol phosphate functional assay
50025982	8	ChEMBL_555946 (CHEMBL959130)	Activity at rhesus monkey GnRH receptor by inositol phosphate functional assay
50046582	3	ChEMBL_1518304 (CHEMBL3620279)	Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells after 2 hrs in absence of human serum albumin
50026010	1	ChEMBL_544688 (CHEMBL1010126)	Inhibition of of PTP1B assessed as residual enzyme activity in presence of Triton X-100
50026010	2	ChEMBL_544687 (CHEMBL1009264)	Inhibition of of PTP1B assessed as residual enzyme activity
50026012	1	ChEMBL_543687 (CHEMBL1015166)	Inhibition of BChE in rat serum after 15 mins by modified Ellman method
50026012	2	ChEMBL_543686 (CHEMBL1015165)	Inhibition of AChE in rat cortex after 15 mins by modified Ellman method
50026023	1	ChEMBL_541388 (CHEMBL1023943)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membrane
50026025	1	ChEMBL_552206 (CHEMBL995568)	Inhibition of MMP2
50026025	2	ChEMBL_552207 (CHEMBL995569)	Inhibition of aminopeptidase N
50026029	5	ChEMBL_552261 (CHEMBL995591)	Agonist activity at human PXR
50026029	3	ChEMBL_552256 (CHEMBL995586)	Inhibition of human 11beta HSD2
50026029	2	ChEMBL_552254 (CHEMBL995584)	Inhibition of human 11beta HSD1 by SPA assay
50026029	1	ChEMBL_552255 (CHEMBL995585)	Inhibition of mouse 11beta HSD1 by SPA assay
50026029	4	ChEMBL_552257 (CHEMBL995587)	Inhibition of mouse 11beta HSD2
50026032	3	ChEMBL_552274 (CHEMBL995604)	Inhibition of human recombinant MMP7
50026032	1	ChEMBL_552278 (CHEMBL995608)	Inhibition of human recombinant MMP10
50026033	1	ChEMBL_552280 (CHEMBL995610)	Inhibition of human Cdc25A phosphatase activity
50026034	3	ChEMBL_552282 (CHEMBL995612)	Binding affinity to human GnRHR
50026034	2	ChEMBL_552281 (CHEMBL995611)	Inhibition of CYP3A4
50026034	1	ChEMBL_555642 (CHEMBL955062)	Antagonist activity at human GnRHR expressed in RBL cells assessed as inhibition of GnRH-stimulated calcium flux
50026038	4	ChEMBL_555652 (CHEMBL955806)	Inhibition of c-Kit by TR-FRET assay
50026038	3	ChEMBL_555654 (CHEMBL955808)	Inhibition of KDR by TR-FRET assay
50026038	2	ChEMBL_555656 (CHEMBL955810)	Inhibition of Lck by TR-FRET assay
50026038	1	ChEMBL_555657 (CHEMBL955811)	Inhibition of Src by TR-FRET assay
50026038	5	ChEMBL_555653 (CHEMBL955807)	Inhibition of SCF-induced phosphorylation of c-Kit in MO7e cells by TR-FRET assay
50026038	6	ChEMBL_555674 (CHEMBL955828)	Inhibition of Abl by TR-FRET assay
50026038	7	ChEMBL_555675 (CHEMBL955829)	Inhibition of PDGFRalpha by TR-FRET assay
50026039	5	ChEMBL_556010 (CHEMBL964660)	Displacement of [3H]haTRAP from PAR1 in human platelets
50026039	2	ChEMBL_556025 (CHEMBL964675)	Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced calcium efflux
50026039	1	ChEMBL_556026 (CHEMBL964676)	Antagonist activity at human PAR1 in HCASMC assessed as inhibition of thrombin-induced thymidine incorporation
50026039	3	ChEMBL_556011 (CHEMBL964661)	Antagonist activity at PAR1 in human platelets assessed as inhibition of haTRAP-induced platelet aggregation
50026039	4	ChEMBL_556012 (CHEMBL964662)	Antagonist activity at PAR1 in human platelets assessed as inhibition of thrombin-induced platelet aggregation
50026044	1	ChEMBL_556068 (CHEMBL953421)	Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane
50026044	6	ChEMBL_556069 (CHEMBL953422)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane
50026044	7	ChEMBL_556066 (CHEMBL953419)	Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay
50046616	1	ChEMBL_1518461 (CHEMBL3621014)	Binding affinity to Influenza A virus (A/WSN/1933(H1N1)) nucleoprotein transfected in 293T cells assessed as inhibition of RNA dependent RNA polymerase activity
50046616	2	ChEMBL_1518462 (CHEMBL3621015)	Binding affinity to Influenza A virus (A/WSN/1933(H1N1)) nucleoprotein S377G mutant transfected in 293T cells assessed as inhibition of RNA dependent RNA polymerase activity
50026045	1	ChEMBL_556090 (CHEMBL954222)	Degradation promoting activity of FLAG tagged cIAP1 expressed in human HT1080 cells after 3 hrs by Western blotting analysis
50046617	1	ChEMBL_1518587 (CHEMBL3619270)	Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting
50046617	2	ChEMBL_1518588 (CHEMBL3619271)	Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50046617	3	ChEMBL_1518590 (CHEMBL3619405)	Antagonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as reversal of DCG-4-inhibited, forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50046617	4	ChEMBL_1518592 (CHEMBL3619407)	Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50026060	2	ChEMBL_556666 (CHEMBL958953)	Inhibition of human DAO
50026060	1	ChEMBL_556667 (CHEMBL958954)	Inhibition of human DDO
50026060	4	ChEMBL_556668 (CHEMBL958955)	Inhibition of CYP3A4
50026060	3	ChEMBL_556669 (CHEMBL958956)	Inhibition of CYP2D6
50026063	3	ChEMBL_556688 (CHEMBL958975)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane
50026063	2	ChEMBL_556689 (CHEMBL959752)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane
50026063	1	ChEMBL_556690 (CHEMBL959753)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane
50026063	4	ChEMBL_556691 (CHEMBL959754)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cell membrane
50026063	5	ChEMBL_556692 (CHEMBL959755)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells
50026069	11	ChEMBL_553545 (CHEMBL958728)	Binding affinity to DPP4
50026069	18	ChEMBL_553548 (CHEMBL958731)	Inhibition of CDK2
50026069	17	ChEMBL_553549 (CHEMBL958732)	Inhibition of PNMT
50026069	6	ChEMBL_553551 (CHEMBL958734)	Inhibition of TGT
50026069	3	ChEMBL_553536 (CHEMBL958719)	Inhibition of uPA
50026069	14	ChEMBL_553544 (CHEMBL958727)	Activity against estrogen receptor alpha
50026069	16	ChEMBL_553546 (CHEMBL958729)	Binding affinity nNOS
50026069	5	ChEMBL_553550 (CHEMBL958733)	Inhibition of MetAp2
50026069	1	ChEMBL_553539 (CHEMBL958722)	Inhibition of thrombin
50026069	2	ChEMBL_553535 (CHEMBL958718)	Inhibition of protein kinase B
50026069	4	ChEMBL_553538 (CHEMBL958721)	Binding affinity to BH3 binding groove of BclXL
50026069	12	ChEMBL_553540 (CHEMBL958723)	Inhibition of bovine carbonic anhydrase2
50026069	10	ChEMBL_553541 (CHEMBL958724)	Inhibition of caspase 1
50026069	7	ChEMBL_553543 (CHEMBL958726)	Binding affinity to HSP90
50026069	9	ChEMBL_553554 (CHEMBL958737)	Inhibition of aurora kinase A
50026076	1	ChEMBL_552364 (CHEMBL1005954)	Binding affinity to calmodulin
50026077	1	ChEMBL_553571 (CHEMBL958754)	Inhibition of guinea pig mPGES1
50026077	4	ChEMBL_553576 (CHEMBL958759)	Inhibition of TX synthase
50026077	3	ChEMBL_553560 (CHEMBL958743)	Inhibition of FLAP
50026077	2	ChEMBL_553563 (CHEMBL958746)	Inhibition of mPGES2
50046617	5	ChEMBL_1518594 (CHEMBL3619409)	Antagonist activity at human recombinant mGlu2 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	6	ChEMBL_1518595 (CHEMBL3619410)	Agonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50026079	4	ChEMBL_555733 (CHEMBL959089)	Binding affinity at NET
50026079	3	ChEMBL_555734 (CHEMBL959090)	Binding affinity at dopamine D2 receptor
50026079	2	ChEMBL_552367 (CHEMBL1005957)	Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate
50026079	5	ChEMBL_552643 (CHEMBL959734)	Binding affinity at DAT
50026079	1	ChEMBL_555732 (CHEMBL959088)	Binding affinity at SERT
50026080	1	ChEMBL_555739 (CHEMBL959095)	Inhibition of Plasmodium falciparum recombinant falcipain-2
50026089	1	ChEMBL_555756 (CHEMBL959113)	Inhibition of Salmonella Typhimurium glutamine synthetase by transferase assay
50026089	2	ChEMBL_555758 (CHEMBL959115)	Inhibition of soybean glutamine synthetase by transferase assay
50026096	1	ChEMBL_556098 (CHEMBL954230)	Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells
50026096	2	ChEMBL_556099 (CHEMBL954231)	Agonist activity at rat 5HT2A receptor expressed in mouse NIH3T3 cells assessed as stimulation of inositol phosphate accumulation
50026097	1	ChEMBL_556115 (CHEMBL956674)	Inhibition of 2,3-oxidosqualene-lanosterol cyclase
50026098	3	ChEMBL_556139 (CHEMBL957461)	Inhibition of EGFR expressed in human tumor cells
50026098	4	ChEMBL_556140 (CHEMBL957462)	Inhibition of VEGFR1 expressed in human tumor cells
50026098	2	ChEMBL_556141 (CHEMBL957463)	Inhibition of VEGFR2 expressed in human tumor cells
50026098	1	ChEMBL_556142 (CHEMBL957464)	Inhibition of PDGFRbeta expressed in human tumor cells
50026100	1	ChEMBL_556415 (CHEMBL954907)	Inhibition of Mycobacterium tuberculosis recombinant TMPK
50026100	2	ChEMBL_556416 (CHEMBL954908)	Inhibition of human TMPK
50026101	2	ChEMBL_556426 (CHEMBL955643)	Antagonist activity at LPA2 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium concentration
50026101	6	ChEMBL_556434 (CHEMBL955651)	Agonist activity at LPA2 receptor expressed in rat RH7777 cells assessed as LPA-induced intracellular calcium response
50026101	4	ChEMBL_556435 (CHEMBL955652)	Agonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as LPA-induced intracellular calcium response
50026101	3	ChEMBL_556428 (CHEMBL955645)	Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium concentration
50026101	1	ChEMBL_556424 (CHEMBL955641)	Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium concentration
50026101	7	ChEMBL_556433 (CHEMBL955650)	Agonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as LPA-induced intracellular calcium response
50026101	5	ChEMBL_556436 (CHEMBL955653)	Inhibition of LPA3 receptor
50026102	1	ChEMBL_556437 (CHEMBL955654)	Inhibition of MMP2
50026104	2	ChEMBL_556449 (CHEMBL955666)	Displacement of [3H]DAMGO from mu opioid receptor in human SHSY5Y cells
50026104	4	ChEMBL_556450 (CHEMBL955667)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50026104	1	ChEMBL_556446 (CHEMBL955663)	Displacement of [3H]DAMGO from delta opioid receptor in rat brain membrane
50026104	3	ChEMBL_556453 (CHEMBL955670)	Agonist activity at mu opioid receptor in human SHSY5Y cells assessed as inhibition of forskolin-stimulated cAMP production
50026105	6	ChEMBL_556456 (CHEMBL955673)	Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells
50026105	5	ChEMBL_556458 (CHEMBL955675)	Displacement of [125I]NECA from human cloned adenosine A2A receptor expressed in CHO cells
50026105	1	ChEMBL_556460 (CHEMBL955677)	Displacement of [125I]DPCPX from adenosine A1 receptor in bovine brain membrane
50026105	3	ChEMBL_556464 (CHEMBL955681)	Antagonist activity at human adenosine A3 cells expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation
50026105	2	ChEMBL_556466 (CHEMBL955683)	Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat cerebral cortex
50026105	4	ChEMBL_556454 (CHEMBL955671)	Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells
50046617	7	ChEMBL_1518597 (CHEMBL3619412)	Antagonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as reversal of DCG-4-inhibited, forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50046617	8	ChEMBL_1516259 (CHEMBL3618567)	Agonist activity at human recombinant mGlu2 receptor E273D and L300Q mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	9	ChEMBL_1516261 (CHEMBL3618569)	Agonist activity at wild type human recombinant mGlu3 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	10	ChEMBL_1516263 (CHEMBL3618571)	Agonist activity at human recombinant mGlu3 receptor D279E mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	11	ChEMBL_1516265 (CHEMBL3618573)	Agonist activity at human recombinant mGlu3 receptor Q306L mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	12	ChEMBL_1516267 (CHEMBL3618575)	Agonist activity at human recombinant mGlu3 receptor D279E and Q306L mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	13	ChEMBL_1518586 (CHEMBL3619269)	Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting
50046617	14	ChEMBL_1518603 (CHEMBL3619418)	Agonist activity at human recombinant mGlu1 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	15	ChEMBL_1518604 (CHEMBL3619419)	Antagonist activity at human recombinant mGlu1 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	16	ChEMBL_1518605 (CHEMBL3619420)	Agonist activity at human recombinant mGlu4 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	17	ChEMBL_1518606 (CHEMBL3619421)	Antagonist activity at human recombinant mGlu4 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	18	ChEMBL_1518607 (CHEMBL3619422)	Agonist activity at human recombinant mGlu5 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	19	ChEMBL_1518608 (CHEMBL3619423)	Antagonist activity at human recombinant mGlu5 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	20	ChEMBL_1518609 (CHEMBL3619424)	Agonist activity at human recombinant mGlu6 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50046617	21	ChEMBL_1518611 (CHEMBL3619426)	Agonist activity at human recombinant mGlu7 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	22	ChEMBL_1518612 (CHEMBL3619427)	Antagonist activity at human recombinant mGlu7 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	23	ChEMBL_1518613 (CHEMBL3619428)	Agonist activity at human recombinant mGlu8 receptor expressed in AV12 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by fluorescence assay
50046617	24	ChEMBL_1518615 (CHEMBL3619430)	Agonist activity at human recombinant mGlu8 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1.5 hrs by FLIPR assay
50046617	25	ChEMBL_1518616 (CHEMBL3619431)	Antagonist activity at human recombinant mGlu8 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50046617	26	ChEMBL_1516253 (CHEMBL3618561)	Agonist activity at wild type human recombinant mGlu2 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	27	ChEMBL_1516255 (CHEMBL3618563)	Agonist activity at human recombinant mGlu2 receptor E273D mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50026108	5	ChEMBL_556481 (CHEMBL956476)	Inhibition of BACE2
50026108	3	ChEMBL_556482 (CHEMBL956477)	Inhibition of cathepsin D
50026108	4	ChEMBL_556483 (CHEMBL956478)	Inhibition of cathepsin E
50046617	28	ChEMBL_1516257 (CHEMBL3618565)	Agonist activity at human recombinant mGlu2 receptor L300Q mutant expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1 hr by FLIPR assay
50046617	29	ChEMBL_1518599 (CHEMBL3619414)	Agonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as stimulation of Ca2+ mobilization after 1.5 hrs by FLIPR assay
50046617	30	ChEMBL_1518601 (CHEMBL3619416)	Antagonist activity at human recombinant mGlu3 receptor expressed in AV12 cells assessed as inhibition of glutamate-stimulated Ca2+ mobilization after 1.5 hrs by FLIPR assay
50046618	1	ChEMBL_1516448 (CHEMBL3619466)	Binding affinity to human CDK2 Y180A mutant expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring HHASPRK phosphorylation by ADP-Glo Max assay
50046618	2	ChEMBL_1516447 (CHEMBL3619465)	Binding affinity to human CDK2 R150A mutant expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring HHASPRK phosphorylation by ADP-Glo Max assay
50046618	3	ChEMBL_1516446 (CHEMBL3619464)	Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring 2.5 mM HHASPRK phosphorylation by ADP-Glo Max assay in presence of 75 uM ATP
50046618	4	ChEMBL_1516445 (CHEMBL3619463)	Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring 1.25 mM HHASPRK phosphorylation by ADP-Glo Max assay in presence of 75 uM ATP
50046618	5	ChEMBL_1516444 (CHEMBL3619462)	Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring 250 uM HHASPRK phosphorylation by ADP-Glo Max assay in presence of 750 uM ATP
50046618	6	ChEMBL_1516443 (CHEMBL3619461)	Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring 250 uM HHASPRK phosphorylation by ADP-Glo Max assay in presence of 375 uM ATP
50046618	7	ChEMBL_1516442 (CHEMBL3619460)	Binding affinity to N-terminal His-tagged recombinant human CDK2 (1 to 298 amino acid residues) expressed in Escherichia coli BL21 assessed as inhibition of interaction with cyclin A3 by measuring 250 uM HHASPRK phosphorylation by ADP-Glo Max assay in presence of 75 uM ATP
50046619	1	ChEMBL_1516516 (CHEMBL3619867)	Displacement of [3H]DAMGO from rat mu opiod receptor
50046619	2	ChEMBL_1516517 (CHEMBL3619868)	Displacement of [3H]DPDPE from human delta opiod receptor
50046619	3	ChEMBL_1516518 (CHEMBL3619869)	Displacement of [3H]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay
50046619	4	ChEMBL_1516519 (CHEMBL3619870)	Displacement of [3H]BK from human B2R expressed in HEK293 cell membranes by liquid scintillation counting in based radioligand competition assay
50046619	5	ChEMBL_1516520 (CHEMBL3619871)	Displacement of [3H]BK from B2R in guinea pig ileum membranes by liquid scintillation counting in based radioligand competition assay
50046619	6	ChEMBL_1516521 (CHEMBL3619872)	Binding affinity to B2R in guinea pig ileum membranes
50046619	7	ChEMBL_1516522 (CHEMBL3619873)	Antagonist activity against B2R in Hartley guinea pig ileum assessed as reduction in electrically-induced response
50046620	1	ChEMBL_1516559 (CHEMBL3620015)	Inhibition of AKT1 (unknown origin) after 40 mins by scintillation counting analysis
50046620	2	ChEMBL_1516560 (CHEMBL3620016)	Inhibition of ALK (unknown origin) after 40 mins by scintillation counting analysis
50046620	3	ChEMBL_1516561 (CHEMBL3620017)	Inhibition of Aurora A (unknown origin) after 40 mins by scintillation counting analysis
50046620	4	ChEMBL_1516562 (CHEMBL3620018)	Inhibition of BRAF (unknown origin) after 40 mins by scintillation counting analysis
50046620	5	ChEMBL_1516563 (CHEMBL3620019)	Inhibition of BRAF V599E mutant (unknown origin) after 40 mins by scintillation counting analysis
50046620	6	ChEMBL_1516564 (CHEMBL3620020)	Inhibition of c-Kit (unknown origin) after 40 mins by scintillation counting analysis
50046620	7	ChEMBL_1516565 (CHEMBL3620021)	Inhibition of c-MET (unknown origin) after 40 mins by scintillation counting analysis
50046620	8	ChEMBL_1516566 (CHEMBL3620022)	Inhibition of CDK1/cyclin B (unknown origin) after 40 mins by scintillation counting analysis
50046620	9	ChEMBL_1516567 (CHEMBL3620023)	Inhibition of CDK2/cyclin E (unknown origin) after 40 mins by scintillation counting analysis
50046620	10	ChEMBL_1516568 (CHEMBL3620024)	Inhibition of EGFR (unknown origin) after 40 mins by scintillation counting analysis
50046620	11	ChEMBL_1516569 (CHEMBL3620025)	Inhibition of ErK1 (unknown origin) after 40 mins by scintillation counting analysis
50046620	12	ChEMBL_1516570 (CHEMBL3620026)	Inhibition of FAK (unknown origin) after 40 mins by scintillation counting analysis
50046620	13	ChEMBL_1516571 (CHEMBL3620027)	Inhibition of FGFR2 (unknown origin) after 40 mins by scintillation counting analysis
50046620	14	ChEMBL_1516572 (CHEMBL3620028)	Inhibition of FGFR3 (unknown origin) after 40 mins by scintillation counting analysis
50046620	15	ChEMBL_1516573 (CHEMBL3620029)	Inhibition of FLT3 (unknown origin) after 40 mins by scintillation counting analysis
50046620	16	ChEMBL_1516574 (CHEMBL3620030)	Inhibition of FMS (unknown origin) after 40 mins by scintillation counting analysis
50046620	17	ChEMBL_1516575 (CHEMBL3620031)	Inhibition of GSK3b (unknown origin) after 40 mins by scintillation counting analysis
50046620	18	ChEMBL_1516576 (CHEMBL3620032)	Inhibition of IGF1R (unknown origin) after 40 mins by scintillation counting analysis
50046620	19	ChEMBL_1516577 (CHEMBL3620033)	Inhibition of Jak3 (unknown origin) after 40 mins by scintillation counting analysis
50046620	20	ChEMBL_1516578 (CHEMBL3620034)	Inhibition of VEGFR2 (unknown origin) after 40 mins by scintillation counting analysis
50046620	21	ChEMBL_1516624 (CHEMBL3620299)	Inhibition of Lyn (unknown origin) after 40 mins by scintillation counting analysis
50046620	22	ChEMBL_1516625 (CHEMBL3620300)	Inhibition of MEK1 (unknown origin) after 40 mins by scintillation counting analysis
50046620	23	ChEMBL_1516626 (CHEMBL3620301)	Inhibition of mTOR (unknown origin) after 40 mins by scintillation counting analysis
50046620	24	ChEMBL_1516627 (CHEMBL3620302)	Inhibition of PKA (unknown origin) after 40 mins by scintillation counting analysis
50046620	25	ChEMBL_1516628 (CHEMBL3620303)	Inhibition of PLK1 (unknown origin) after 40 mins by scintillation counting analysis
50046620	26	ChEMBL_1516630 (CHEMBL3620305)	Inhibition of RON (unknown origin) after 40 mins by scintillation counting analysis
50046620	27	ChEMBL_1516631 (CHEMBL3620306)	Inhibition of ROS1 (unknown origin) after 40 mins by scintillation counting analysis
50046620	28	ChEMBL_1516632 (CHEMBL3620307)	Inhibition of SYK (unknown origin) after 40 mins by scintillation counting analysis
50046620	29	ChEMBL_1516646 (CHEMBL3620321)	Inhibition of C-Raf (unknown origin) after 40 mins by scintillation counting analysis
50046621	1	ChEMBL_1516648 (CHEMBL3620428)	Inhibition of FEN1 (unknown origin)
50026129	1	ChEMBL_552426 (CHEMBL1001843)	Inhibition of CYP2C8
50026129	2	ChEMBL_552427 (CHEMBL1001844)	Inhibition of CYP2C9
50026130	1	ChEMBL_552431 (CHEMBL1001848)	Agonist activity at PPARgamma receptor by cofactor assay
50026133	1	ChEMBL_552452 (CHEMBL1002712)	Inhibition of nNOS assessed as conversion of L-[3H]arginine to L-[3H]citrulline
50026134	2	ChEMBL_552455 (CHEMBL1002715)	Inhibition of c-Src
50026134	1	ChEMBL_552454 (CHEMBL1002714)	Inhibition of ALK5 by filter binding assay
50046621	2	ChEMBL_1516649 (CHEMBL3620429)	Inhibition of DNAse1 (unknown origin)
50026139	1	ChEMBL_555860 (CHEMBL953404)	Inhibition of Met kinase
50026139	2	ChEMBL_555862 (CHEMBL953406)	Inhibition of human CYP3A4
50026141	1	ChEMBL_555877 (CHEMBL955851)	Inhibition of HCV BK NS5B polymerase
50026146	4	ChEMBL_556506 (CHEMBL956501)	Inhibition of IRAK4
50026146	2	ChEMBL_556508 (CHEMBL956503)	Inhibition of JNK1
50026146	3	ChEMBL_556512 (CHEMBL956507)	Inhibition of JNK3
50026146	1	ChEMBL_556510 (CHEMBL956505)	Inhibition of JNK2
50026147	1	ChEMBL_556513 (CHEMBL956508)	Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes
50046622	1	ChEMBL_1516667 (CHEMBL3620447)	Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate
50046622	2	ChEMBL_1516668 (CHEMBL3620448)	Inhibition of mushroom tyrosinase assessed as reduction in L-DOPA oxidase activity using L-DOPA substrate at 5 uM by Dixon plot
50046623	1	ChEMBL_1516808 (CHEMBL3618590)	Competitive inhibition of recombinant B-Raf (unknown origin) expressed in HEK293 cells by FRET analysis in presence of ATP
50046624	1	ChEMBL_1517017 (CHEMBL3619476)	Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP as substrate after 30 mins
50026158	1	ChEMBL_556521 (CHEMBL956516)	Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose 1 phosphate
50026159	1	ChEMBL_556525 (CHEMBL956520)	Inhibition of acetylcholinesterase from bovine erythrocyte
50026160	1	ChEMBL_542152 (CHEMBL1009862)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes
50026160	2	ChEMBL_542151 (CHEMBL1009861)	Displacement of [3H]ketanserin from 5HT2A receptor
50026165	4	ChEMBL_556834 (CHEMBL964694)	Displacement of [3H]WIN-35428 from human DAT expressed in HEK293 cells
50026165	1	ChEMBL_556830 (CHEMBL964690)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50026165	3	ChEMBL_556831 (CHEMBL964691)	Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells
50026165	2	ChEMBL_556832 (CHEMBL964692)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane
50026165	5	ChEMBL_556833 (CHEMBL964693)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells
50026167	2	ChEMBL_518949 (CHEMBL941537)	Inhibition of COX2
50046625	1	ChEMBL_1517026 (CHEMBL3619485)	Inhibition of FEN1 (unknown origin)
50026171	3	ChEMBL_556842 (CHEMBL964702)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50026171	2	ChEMBL_556843 (CHEMBL964703)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane
50026171	1	ChEMBL_556845 (CHEMBL964705)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated contraction
50026171	4	ChEMBL_556846 (CHEMBL964706)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated contraction
50046625	2	ChEMBL_1517027 (CHEMBL3619486)	Inhibition of DNAse1 (unknown origin)
50026178	1	ChEMBL_556868 (CHEMBL964728)	Inhibition of JNK1 by TR-FRET assay
50026178	2	ChEMBL_556869 (CHEMBL964729)	Displacement of biotin-labeled pep-JIP1 from GST fused JNK1 by DELFIA assay
50026179	1	ChEMBL_556874 (CHEMBL964734)	Inhibition of MMP12
50026180	1	ChEMBL_556875 (CHEMBL964735)	Inhibition of CDK4/cyclin D1 expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosphorylation
50026180	2	ChEMBL_556876 (CHEMBL964736)	Inhibition of CDK1/Cyclin B1 expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosphorylation
50026180	3	ChEMBL_556877 (CHEMBL964737)	Inhibition of CDK2/cyclin E expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosphorylation
50026185	3	ChEMBL_563916 (CHEMBL965019)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by liquid scintillation analyzer
50026185	2	ChEMBL_563919 (CHEMBL965827)	Displacement of radioligand from mu opioid receptor
50026185	1	ChEMBL_563920 (CHEMBL965828)	Displacement of [3H]U-69593 from kappa opioid receptor
50026186	1	ChEMBL_552544 (CHEMBL953988)	Binding affinity to human serum albumin at 4 uM by UV-vis measurement
50026187	1	ChEMBL_552548 (CHEMBL953992)	Inhibition of HER2
50026192	3	ChEMBL_552563 (CHEMBL954007)	Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique
50026192	2	ChEMBL_552551 (CHEMBL953995)	Inhibition of mouse recombinant Nav1.8 channel expressed in HEK293 cells by isotopic efflux assay
50026192	1	ChEMBL_552562 (CHEMBL954006)	Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique
50026192	4	ChEMBL_552564 (CHEMBL954008)	Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique
50026192	5	ChEMBL_552565 (CHEMBL954009)	Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique
50026193	2	ChEMBL_552585 (CHEMBL956457)	Binding affinity to human FcRn at pH 6 by surface plasmon resonance assay
50026193	1	ChEMBL_552586 (CHEMBL956458)	Binding affinity to human FcRn at pH 7.4 by surface plasmon resonance assay
50026193	3	ChEMBL_552584 (CHEMBL956456)	Inhibition of human IgG binding to soluble human FcRn by ELISA
50026194	1	ChEMBL_552589 (CHEMBL956461)	Binding affinity to human recombinant VEGFR2 extracellular domain by ELISA like binding assay
50026198	1	ChEMBL_552617 (CHEMBL957261)	Inhibition of rat brain recombinant nNOS
50026198	2	ChEMBL_552618 (CHEMBL957262)	Inhibition of mouse recombinant iNOS
50026198	3	ChEMBL_552620 (CHEMBL957264)	Inhibition of bovine recombinant eNOS
50046626	1	ChEMBL_1517039 (CHEMBL3619498)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50046626	2	ChEMBL_1517041 (CHEMBL3619500)	Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system after 3 hrs by scintillation counting analysis
50046626	3	ChEMBL_1517042 (CHEMBL3619501)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	4	ChEMBL_1517043 (CHEMBL3619502)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	5	ChEMBL_1517044 (CHEMBL3619503)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	6	ChEMBL_1517045 (CHEMBL3619623)	Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	7	ChEMBL_1517046 (CHEMBL3619624)	Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	8	ChEMBL_1517047 (CHEMBL3619625)	Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50046626	9	ChEMBL_1517048 (CHEMBL3619626)	Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50026211	1	ChEMBL_553987 (CHEMBL966210)	Inhibition of mushroom tyrosinase activity after 10 mins
50026213	1	ChEMBL_552732 (CHEMBL965238)	Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting
50026213	8	ChEMBL_552738 (CHEMBL965244)	Binding affinity to 5HT1A receptor
50026213	9	ChEMBL_552739 (CHEMBL965245)	Binding affinity to 5HT1E receptor
50026213	7	ChEMBL_552731 (CHEMBL965237)	Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting
50026213	4	ChEMBL_552741 (CHEMBL965247)	Binding affinity to human muscarinic M2 receptor
50026213	5	ChEMBL_552742 (CHEMBL965248)	Binding affinity to human muscarinic M3 receptor
50026213	3	ChEMBL_552743 (CHEMBL965249)	Binding affinity to human dopamine D2 receptor
50026213	2	ChEMBL_552746 (CHEMBL965252)	Binding affinity at human 5HT1F receptor
50026214	2	ChEMBL_552748 (CHEMBL965254)	Reduction of recombinant ECE2 activity measured by McaBk2 fluorescent substrate hydrolysis
50026214	1	ChEMBL_552749 (CHEMBL954027)	Inhibition of Neprilysin
50026215	1	ChEMBL_552750 (CHEMBL954028)	Inhibition of human factor 10a
50026215	2	ChEMBL_552757 (CHEMBL954035)	Inhibition of thrombin
50026215	3	ChEMBL_552759 (CHEMBL954037)	Inhibition of plasmin
50026215	4	ChEMBL_552760 (CHEMBL954038)	Inhibition of tPA
50026216	2	ChEMBL_552794 (CHEMBL954831)	Inhibition of FAAH in rat brain membrane assessed as [3H]anandamide hydrolysis
50026216	1	ChEMBL_552793 (CHEMBL954830)	Inhibition of monoglyceride lipase in rat brain membrane
50026224	1	ChEMBL_552796 (CHEMBL954833)	Inhibition of factor 11a
50026225	1	ChEMBL_564086 (CHEMBL963331)	Displacement of [3H]CP-55940 form human recombinant CB1 receptor expressed in HEK293 cells by liquid scintillation counting
50026227	2	ChEMBL_554182 (CHEMBL963639)	Displacement of [125I]-(D-Trp6)LHRH from rat recombinant GnRH receptor
50026227	7	ChEMBL_554183 (CHEMBL963640)	Antagonist activity at human recombinant GnRH receptor assessed as reduction in (D-Trp6)LHRH-induced myo-(1,2)-[3H]inositol production
50026227	3	ChEMBL_554180 (CHEMBL963637)	Displacement of [125I]-(D-Trp6)LHRH from human recombinant GnRH receptor
50026227	5	ChEMBL_554185 (CHEMBL963642)	Antagonist activity at recombinant GnRH receptor in CO2 asphyxiated rat primary pituitary cells assessed as reduction in (D-Trp6)LHRH-induced LH release
50026227	8	ChEMBL_554184 (CHEMBL963641)	Binding affinity to human 5HT1A receptor
50026227	6	ChEMBL_554186 (CHEMBL963643)	Binding affinity to human 5HT1B receptor
50026227	4	ChEMBL_554187 (CHEMBL963644)	Binding affinity to human 5HT1D receptor
50026227	1	ChEMBL_554209 (CHEMBL963666)	Binding affinity to 5HT2A receptor
50026229	3	ChEMBL_552827 (CHEMBL957298)	Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells
50026229	5	ChEMBL_552828 (CHEMBL957299)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells
50026229	4	ChEMBL_552826 (CHEMBL957297)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50026229	2	ChEMBL_552830 (CHEMBL958035)	Binding affinity to CB1 receptor
50026229	1	ChEMBL_552831 (CHEMBL958036)	Binding affinity to CB2 receptor
50026231	1	ChEMBL_554409 (CHEMBL966237)	Inhibition of xanthine oxidase
50026238	3	ChEMBL_552852 (CHEMBL958057)	Inhibition of human placental 17beta-HSD2 using 17-beta-estradiol substrate
50046627	1	ChEMBL_1517176 (CHEMBL3620066)	Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay
50046627	2	ChEMBL_1517177 (CHEMBL3620067)	Inhibition of DAPK1 (unknown origin) using ZIPtide as substrate by fluorescence assay in presence of ATP, MgCl2
50046628	1	ChEMBL_1517184 (CHEMBL3620074)	Inhibition of mouse recombinant DDO using D-Asp
50046628	2	ChEMBL_1517183 (CHEMBL3620073)	Inhibition of rat recombinant DDO using D-Asp
50046628	3	ChEMBL_1517182 (CHEMBL3620072)	Binding affinity to human recombinant DDO
50046628	4	ChEMBL_1517180 (CHEMBL3620070)	Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by colorimetric assay
50046628	5	ChEMBL_1517179 (CHEMBL3620069)	Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by colorimetric assay
50026245	2	ChEMBL_554778 (CHEMBL953931)	Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells
50026245	3	ChEMBL_554780 (CHEMBL953933)	Displacement of [35S]MK499 from human ERG in HEK293 cell membrane
50026245	1	ChEMBL_554779 (CHEMBL953932)	Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells
50026250	1	ChEMBL_554798 (CHEMBL953951)	Inhibition of human SAHH
50046629	1	ChEMBL_1517213 (CHEMBL3620197)	Inhibition of human ERG expressed in CHO cells by patch clamp electrophysiology assay
50046630	1	ChEMBL_1517221 (CHEMBL3620205)	Displacement of [3H] DAMGO from rat mu-opioid receptor
50046630	2	ChEMBL_1517222 (CHEMBL3620206)	Displacement of [3H] DAMGO from human delta opioid receptor
50026253	1	ChEMBL_552879 (CHEMBL960596)	Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney
50026258	1	ChEMBL_554819 (CHEMBL953972)	Displacement of [3H]CP-55940 from human CB2 receptor
50026258	3	ChEMBL_554821 (CHEMBL953974)	Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay
50026258	2	ChEMBL_554820 (CHEMBL953973)	Displacement of [3H]CP-55940 from human CB1 receptor
50026261	1	ChEMBL_520697 (CHEMBL966086)	Inhibition of mushroom tyrosinase
50026263	6	ChEMBL_520729 (CHEMBL950810)	Inhibition of TIE2
50026263	4	ChEMBL_520718 (CHEMBL949886)	Inhibition of VEGFR2
50026263	1	ChEMBL_520712 (CHEMBL949880)	Inhibition of ERBB2
50026263	2	ChEMBL_520709 (CHEMBL949877)	Inhibition of EGFR
50026263	5	ChEMBL_520717 (CHEMBL949885)	Inhibition of SRC
50026266	1	ChEMBL_555161 (CHEMBL965322)	Inhibition of DPP4
50026266	2	ChEMBL_555162 (CHEMBL965323)	Inhibition of DPP8
50026269	2	ChEMBL_555176 (CHEMBL964569)	Inhibition of equine serum BuchE
50026269	1	ChEMBL_555175 (CHEMBL964568)	Inhibition of electric eel AchE
50026269	4	ChEMBL_555179 (CHEMBL964572)	Inhibition of BuchE
50026269	3	ChEMBL_555178 (CHEMBL964571)	Inhibition of AchE
50026273	1	ChEMBL_555218 (CHEMBL965354)	Inhibition of ASK1 by fluorescence correlation spectroscopy
50026273	2	ChEMBL_555219 (CHEMBL965356)	Inhibition of ASK1 by luciferase assay
50026273	3	ChEMBL_555220 (CHEMBL965357)	Binding affinity to ASK1
50046630	3	ChEMBL_1517225 (CHEMBL3620209)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically stimulated muscle contraction
50026275	3	ChEMBL_555221 (CHEMBL965358)	Binding affinity to human urotensin-2 receptor
50026275	2	ChEMBL_555222 (CHEMBL965359)	Agonist activity at kappa opioid receptor
50026275	4	ChEMBL_555224 (CHEMBL965361)	Inhibition of CYP2D6
50026275	1	ChEMBL_555225 (CHEMBL965362)	Inhibition of CYP3A4
50026276	1	ChEMBL_555234 (CHEMBL961375)	Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco-2 cells
50046630	4	ChEMBL_1517226 (CHEMBL3620210)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically stimulated muscle contraction
50026283	2	ChEMBL_554590 (CHEMBL964504)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50026283	1	ChEMBL_554591 (CHEMBL964505)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells
50026285	2	ChEMBL_554600 (CHEMBL964514)	Antagonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp method
50026285	3	ChEMBL_554599 (CHEMBL964513)	Agonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp method
50026285	1	ChEMBL_554602 (CHEMBL964516)	Agonist activity at human GABAb 1A/2 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp method
50026288	2	ChEMBL_554966 (CHEMBL962062)	Inhibition of sodium Nav1.5 channel assessed as inhibition of late sodium current elicited at -30 mV from holding potential of -110 mV
50026288	1	ChEMBL_554967 (CHEMBL962063)	Inhibition of sodium Nav1.5 channel assessed as inhibition of late sodium current elicited at -30 mV from holding potential of -90 mV
50026291	6	ChEMBL_554990 (CHEMBL962086)	Inhibition of human recombinant ARK5
50026291	8	ChEMBL_554991 (CHEMBL962087)	Inhibition of human recombinant Aurora A
50046631	1	ChEMBL_1517500 (CHEMBL3619187)	Inhibition of CYP1A2 in human liver microsomes by cocktail assay
50026291	7	ChEMBL_554994 (CHEMBL957969)	Inhibition of human recombinant CDK2/cyclin A
50026291	4	ChEMBL_554996 (CHEMBL957971)	Inhibition of human recombinant CDK4/cyclin D1
50026291	5	ChEMBL_554997 (CHEMBL957972)	Inhibition of human recombinant EGFR
50026291	1	ChEMBL_554998 (CHEMBL957973)	Inhibition of human recombinant EPHB4
50026291	2	ChEMBL_554999 (CHEMBL957974)	Inhibition of human recombinant ERBB2
50026291	21	ChEMBL_555000 (CHEMBL957975)	Inhibition of human recombinant FAK
50026291	9	ChEMBL_554995 (CHEMBL957970)	Inhibition of human recombinant IGF1R
50026291	17	ChEMBL_555001 (CHEMBL957976)	Inhibition of human recombinant SRC
50026291	18	ChEMBL_555002 (CHEMBL957977)	Inhibition of human recombinant VEGFR2
50046631	2	ChEMBL_1517501 (CHEMBL3619188)	Inhibition of CYP2C9 in human liver microsomes by cocktail assay
50026291	20	ChEMBL_555004 (CHEMBL957979)	Inhibition of human recombinant FLT3
50046631	3	ChEMBL_1517502 (CHEMBL3619189)	Inhibition of CYP2D6 in human liver microsomes by cocktail assay
50026291	13	ChEMBL_555006 (CHEMBL957981)	Inhibition of human recombinant MET
50026291	10	ChEMBL_555007 (CHEMBL957982)	Inhibition of human recombinant PDGFRbeta
50026291	11	ChEMBL_555008 (CHEMBL957983)	Inhibition of human recombinant SAK
50026291	14	ChEMBL_555009 (CHEMBL957984)	Inhibition of human recombinant TIE2
50046631	4	ChEMBL_1517503 (CHEMBL3619190)	Inhibition of CYP3A4 in human liver microsomes by cocktail assay
50026291	15	ChEMBL_555010 (CHEMBL957985)	Inhibition of human recombinant COT
50026291	16	ChEMBL_555015 (CHEMBL957990)	Inhibition of human recombinant CK2A1
50026300	1	ChEMBL_491086 (CHEMBL982109)	Inhibition of STAT6 activation in FW4 reporter cells
50026301	1	ChEMBL_491100 (CHEMBL982123)	Binding affinity to dopamine D3 receptor
50026301	2	ChEMBL_491101 (CHEMBL982124)	Binding affinity to dopamine D2 receptor
50026303	3	ChEMBL_491466 (CHEMBL949522)	Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells
50026303	1	ChEMBL_491467 (CHEMBL949523)	Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells
50026303	7	ChEMBL_491437 (CHEMBL948532)	Displacement of [35S]MK499 from human ERG K+ channel expressed in HEK293 cells
50026303	5	ChEMBL_491436 (CHEMBL948531)	Agonist activity at human ORL1 expressed in CHO cells by GTPgammaS binding assay relative to nociceptin
50026303	4	ChEMBL_491434 (CHEMBL948529)	Displacement of [125I][Tyr14]nociceptin from human ORL1 expressed in CHO cells
50026305	1	ChEMBL_500129 (CHEMBL974332)	Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells
50026310	3	ChEMBL_491807 (CHEMBL945197)	Inhibition of JNK2
50026310	4	ChEMBL_491806 (CHEMBL945196)	Inhibition of p38alpha-induced TNFalpha production in human THP1 cells
50026310	2	ChEMBL_491804 (CHEMBL945194)	Inhibition of p38alpha-mediated TNFalpha production in peripheral mononucleocytes
50026310	1	ChEMBL_491805 (CHEMBL945195)	Inhibition of p38alpha-mediated IL1-beta production in peripheral mononucleocytes
50026310	5	ChEMBL_491803 (CHEMBL945193)	Inhibition of p38alpha in hTERT-immortalized human HCA2 cells assessed as decrease in phosphorylated HSP27 level by ELISA in presence of anisomycin
50026312	6	ChEMBL_491827 (CHEMBL945217)	Antagonist activity against human GCGR expressed in CHO cells assessed as glucagon-induced cAMP accumulation
50026312	5	ChEMBL_491826 (CHEMBL945216)	Displacement of [125I]glucagon from human GCGR expressed in CHO cells
50026312	7	ChEMBL_491828 (CHEMBL945218)	Binding affinity against human GIP
50026312	8	ChEMBL_491829 (CHEMBL945219)	Binding affinity against human GLP1
50026312	1	ChEMBL_491832 (CHEMBL945222)	Inhibition of hERG potassium channel
50026312	4	ChEMBL_491833 (CHEMBL945223)	Inhibition of CYP3A4
50026312	3	ChEMBL_491834 (CHEMBL945224)	Inhibition of CYP2C9
50026312	2	ChEMBL_491835 (CHEMBL945225)	Inhibition of CYP2D6
50026313	3	ChEMBL_491863 (CHEMBL946200)	Binding affinity to human galectin3 by fluorescence polarization assay
50026313	1	ChEMBL_491861 (CHEMBL946198)	Binding affinity to human galectin1 by fluorescence polarization assay
50026313	2	ChEMBL_491862 (CHEMBL946199)	Binding affinity to human galectin2 by fluorescence polarization assay
50046614	4	ChEMBL_1518812 (CHEMBL3625486)	Inhibition of recombinant Src (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046614	7	ChEMBL_1518810 (CHEMBL3625484)	Inhibition of recombinant DAPK1 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50026319	1	ChEMBL_492183 (CHEMBL951559)	Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cells
50046614	13	ChEMBL_1518803 (CHEMBL3625477)	Inhibition of recombinant Tyk2 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay
50046632	1	ChEMBL_1519106 (CHEMBL3624184)	Inhibition of PDE4 (unknown origin)
50046632	2	ChEMBL_1519092 (CHEMBL3624170)	Inhibition of JAK2 in mouse BAF3 cells assessed as reduction in STAT5 phosphorylation incubated for 2 hrs by Western blot method
50046632	3	ChEMBL_1519091 (CHEMBL3624169)	Inhibition of JAK2 in human SET2 cells assessed as reduction in STAT5 phosphorylation incubated for 2 hrs by Western blot method
50046632	4	ChEMBL_1518848 (CHEMBL3625654)	Binding affinity to JAK3 (unknown origin) assessed as dissociation constant
50046632	5	ChEMBL_1518847 (CHEMBL3625653)	Binding affinity to JAK2 (unknown origin) assessed as dissociation constant
50046632	6	ChEMBL_1518846 (CHEMBL3625652)	Binding affinity to JAK1 (unknown origin) assessed as dissociation constant
50046632	7	ChEMBL_1518842 (CHEMBL3625648)	Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method
50046632	8	ChEMBL_1518838 (CHEMBL3625512)	Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method
50026320	4	ChEMBL_492189 (CHEMBL951565)	Inhibition of CYP2D6
50026320	3	ChEMBL_492190 (CHEMBL951566)	Inhibition of CYP1A2
50026320	1	ChEMBL_492191 (CHEMBL951567)	Inhibition of CYP3A4
50026320	2	ChEMBL_492192 (CHEMBL951568)	Inhibition of CYP2C9
50026322	4	ChEMBL_492202 (CHEMBL951578)	Inhibition of Akt2 phosphorylation by HTRF assay
50026322	1	ChEMBL_492203 (CHEMBL951579)	Inhibition of Akt1 phosphorylation in human by C33a cells by IPKA assay
50026322	2	ChEMBL_492204 (CHEMBL951580)	Inhibition of Akt2 phosphorylation in human by C33a cells by IPKA assay
50026322	3	ChEMBL_492201 (CHEMBL951577)	Inhibition of Akt1 phosphorylation by HTRF assay
50026323	1	ChEMBL_492206 (CHEMBL951582)	Inhibition of Bacillus anthracis edema factor-induced edema in RAW264.7 mouse macrophages by cAMP-specific ELISA
50026326	2	ChEMBL_492219 (CHEMBL952419)	Antagonist activity at human ERG by voltage-clamp electrophysiology assay
50026326	1	ChEMBL_492230 (CHEMBL939609)	Inhibition of sodium channel Nav1.5 by voltage-clamp method
50026327	1	ChEMBL_487238 (CHEMBL1015706)	Antagonist activity at NR1/2B receptor expressed in xenopus laevis at pH 6.9 by two electrode voltage clamp method
50026328	1	ChEMBL_564349 (CHEMBL957651)	Inhibition of CYP2C19
50026329	1	ChEMBL_487246 (CHEMBL1018366)	Inhibition of lipoxygenase-5 in human ED273b-BT cells assessed as amount of cysteinyl leukotriene secreted after 24 hrs by immunoassay
50046632	9	ChEMBL_1519125 (CHEMBL3624318)	Inhibition of CYP3A4 in human liver microsomes
50046632	10	ChEMBL_1519126 (CHEMBL3624319)	Inhibition of CYP1A2 in human liver microsomes
50046632	11	ChEMBL_1519130 (CHEMBL3624323)	Activation of PXR (unknown origin)
50046632	12	ChEMBL_1518840 (CHEMBL3625646)	Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method
50046632	13	ChEMBL_1518839 (CHEMBL3625645)	Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method
50037607	11	ChEMBL_321582 (CHEMBL884690)	Inhibition of human alpha DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C with the compound dissolved in DMSO
50037607	6	ChEMBL_321595 (CHEMBL883910)	Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C
50037607	8	ChEMBL_321600 (CHEMBL872297)	Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C
50037607	7	ChEMBL_321605 (CHEMBL872302)	Inhibition of herpes simplex virus type 1 DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C
50037607	10	ChEMBL_321583 (CHEMBL884691)	Inhibition of human delta DNA polymerase (95 uL) activity in a solution containg 6.4 mM HEPES (pH 7.5) upon incubation for 12 minutes at 26 degrees C with the compound dissolved in DMSO
50037607	9	ChEMBL_321620 (CHEMBL871629)	Inhibition of Varicella-Zoster virus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C; [nd = not determined]
50046615	5	ChEMBL_1519428 (CHEMBL3625362)	Inhibition of Nav1.5 (unknown origin)
50046615	7	ChEMBL_1519158 (CHEMBL3624351)	Inhibition of human CYP11B1 expressed in V79 cells assessed as cortisol level after 3 hrs by HTRF assay in presence of 250 nM 11-deoxycortisol
50046615	2	ChEMBL_1519418 (CHEMBL3625352)	Inhibition of human CYP19
50046615	9	ChEMBL_1519419 (CHEMBL3625353)	Inhibition of human CYP3A4
50046615	4	ChEMBL_1519417 (CHEMBL3625351)	Inhibition of human CYP17 expressed in COS7 cells assessed as DHEA level after 3 hrs by EIA assay in presence of 360 nM 17-hydroxypregnenolone
50046615	8	ChEMBL_1519157 (CHEMBL3624350)	Inhibition of human CYP11B2 expressed in V79 cells assessed as aldosterone level after 3 hrs by HTRF assay in presence of 125 nM 11-deoxycorticosterone
50046615	6	ChEMBL_1519427 (CHEMBL3625361)	Displacement of [35S]MK0499 from human ERG
50046615	3	ChEMBL_1519429 (CHEMBL3625363)	Inhibition of Cav1.2 (unknown origin)
50046633	1	ChEMBL_1519446 (CHEMBL3625380)	Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular DNA plasmid M13mp18 as substrate after 2 hrs by agarose gel electrophoresis
50046634	1	ChEMBL_1519716 (CHEMBL3624061)	Inhibition of ADAMTS5 (unknown origin) using WAAG-3R as substrate preincubated for 15 mins followed by substrate addition measured every 30 secs for 1 hr
50046634	2	ChEMBL_1519717 (CHEMBL3624062)	Inhibition of human recombinant ADAMTS13 using FRETSVWF73 as substrate by fluorescence assay
50046634	3	ChEMBL_1519718 (CHEMBL3624063)	Inhibition of human recombinant MMP13 using 5-FAMTPGPLGL[Dap(DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins
50046634	4	ChEMBL_1519719 (CHEMBL3624064)	Inhibition of human recombinant TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated for 15 mins measured every 30 secs for 30 mins by fluorescence assay
50046634	5	ChEMBL_1519714 (CHEMBL3624059)	Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate addition measured every 30 secs for 1 hr
50026343	2	ChEMBL_491548 (CHEMBL944194)	Inhibition of human FAAH expressed in Escherichia coli
50026343	1	ChEMBL_491550 (CHEMBL944196)	Inhibition of human MGL expressed in Escherichia coli
50026344	1	ChEMBL_491572 (CHEMBL944218)	Inhibition of human ERG
50046635	1	ChEMBL_1519731 (CHEMBL3624210)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs by Thioflavin-T Abeta aggregation assay
50046636	1	ChEMBL_1519741 (CHEMBL3624220)	Antagonist activity at human LXR-alpha transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay in presence of 0.3 uM N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
50046636	2	ChEMBL_1519743 (CHEMBL3624222)	Antagonist activity at human LXR-beta transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay in presence of 0.1 uM N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
50026344	3	ChEMBL_491562 (CHEMBL944208)	Inhibition of Cdk1
50046636	3	ChEMBL_1519748 (CHEMBL3624227)	Binding affinity to LXR-beta ligand binding domain (unknown origin) by TR-FRET assay in presence of 0.1 uM agonist N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
50046636	4	ChEMBL_1519738 (CHEMBL3624217)	Agonist activity at human LXR-alpha transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay
50046636	5	ChEMBL_1519735 (CHEMBL3624214)	Transrepression activity of LXR in human THP1 cells assessed as inhibition of LPS-induced IL-6 level after 18 hrs by ELISA
50046636	6	ChEMBL_1519740 (CHEMBL3624219)	Agonist activity at human LXR-beta transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay
50046637	1	ChEMBL_1519754 (CHEMBL3624233)	Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis
50026345	2	ChEMBL_491574 (CHEMBL944220)	Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells
50026345	1	ChEMBL_491580 (CHEMBL944226)	Displacement of [125I]neurokinin B from human recombinant NK3 receptor expressed in CHO cells
50026347	1	ChEMBL_491590 (CHEMBL944236)	Inhibition of Trypanosoma cruzi Tulahuen 2 epimastigote cruzipain by spectrophotometry
50026350	1	ChEMBL_564482 (CHEMBL955214)	Inhibition of AChE from rat cortex homogenate by Ellmans method
50046637	2	ChEMBL_1519755 (CHEMBL3624234)	Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of DHT-induced PSA expression by alkaline phosphatase reporter gene assay
50046637	3	ChEMBL_1519884 (CHEMBL3624807)	Inhibition of human CYP1A2
50046637	4	ChEMBL_1519885 (CHEMBL3624808)	Inhibition of human CYP2B6
50046637	5	ChEMBL_1519886 (CHEMBL3624809)	Inhibition of human CYP2C8
50046637	6	ChEMBL_1519887 (CHEMBL3624810)	Inhibition of human CYP2C9
50046637	7	ChEMBL_1519888 (CHEMBL3624811)	Inhibition of human CYP2D6
50046637	8	ChEMBL_1519889 (CHEMBL3624812)	Inhibition of human CYP3A4
50046637	9	ChEMBL_1519890 (CHEMBL3624813)	Transactivation of human PXR
50046638	1	ChEMBL_1519919 (CHEMBL3624922)	Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay
50046638	2	ChEMBL_1519920 (CHEMBL3624923)	Inhibition of MAP4K4 (unknown origin) by LC3K method
50046639	1	ChEMBL_1520076 (CHEMBL3625417)	Inhibition of human BCATm after 10 mins by fluorescent assay
50046640	1	ChEMBL_1520112 (CHEMBL3625576)	Agonist activity at human GPR119 expressed in CHO cells by cAMP assay
50046640	2	ChEMBL_1520094 (CHEMBL3625558)	Activation of human PXR
50046640	3	ChEMBL_1520093 (CHEMBL3625557)	Inhibition of CYP3A4 (unknown origin)
50046640	4	ChEMBL_1520089 (CHEMBL3625553)	Inhibition of human ERG by by patchXpress method
50046640	5	ChEMBL_1520114 (CHEMBL3625578)	Agonist activity at mouse GPR119 by cAMP assay
50026352	1	ChEMBL_491910 (CHEMBL946440)	Inhibition of human thrombin
50026352	2	ChEMBL_491893 (CHEMBL946423)	Inhibition of human factor 10a
50026354	1	ChEMBL_491921 (CHEMBL947429)	Displacement of [3H]methoxy-PEPy from rat mGluR5 expressed in HEK293A cells
50026354	3	ChEMBL_491918 (CHEMBL947426)	Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium fluorescence
50026354	2	ChEMBL_491919 (CHEMBL947427)	Activity at rat mGluR5 expressed in HEK293A cells
50026355	2	ChEMBL_491924 (CHEMBL947432)	Inhibition of Akt2
50026355	1	ChEMBL_491923 (CHEMBL947431)	Inhibition of Akt1
50026355	4	ChEMBL_491925 (CHEMBL947433)	Inhibition of Akt1 by cellular assay
50026355	3	ChEMBL_491926 (CHEMBL947434)	Inhibition of Akt2 by cellular assay
50026355	5	ChEMBL_491927 (CHEMBL947435)	Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition assay
50026363	1	ChEMBL_492276 (CHEMBL947244)	Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay
50026363	4	ChEMBL_492275 (CHEMBL947243)	Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay
50026363	3	ChEMBL_487337 (CHEMBL1021863)	Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay
50046641	1	ChEMBL_1520136 (CHEMBL3625600)	Inhibition of IRAK4 (unknown origin) using 5FAM-RKRQGSVRRRVHCCOOH as substrate after 30 mins by IMAP assay
50046641	2	ChEMBL_1520142 (CHEMBL3625606)	Inhibition of IRAK4 in human PBMC assessed as reduction of IL1beta-induced TNFalpha production treated 30 mins before IL1beta stimulation measured after 5 hrs
50046641	3	ChEMBL_1520143 (CHEMBL3625715)	Inhibition of IRAK4 in human PBMC assessed as reduction of TLR 7/8 agonist R848-induced TNFalpha production treated 30 mins before R848 stimulation measured after 5 hrs
50046641	4	ChEMBL_1520137 (CHEMBL3625601)	Inhibition of IRAK4-mediated NFkappaB activation in human THP1-XBlue cells assessed as LPS-induced secreted embryonic alkaline phosphatase activity treated 1 hr before LPS challenge measured after 5 hrs by spectrophotometer analysis
50046642	1	ChEMBL_1520318 (CHEMBL3626368)	Antagonist activity at wild type AR expressed in human SC cells assessed as inhibition of 1 nM DHT-induced cell proliferation after 3 days by WST-8 assay
50046642	2	ChEMBL_1520320 (CHEMBL3626370)	Displacement of [3H]-DHT from human GST fused AR-LBD (627 to 919 amino acids) transfected in Escherichia coli HB 101 after 15 hrs by liquid scintillation counting assay
50046643	1	ChEMBL_1520466 (CHEMBL3624595)	Inhibition of aromatase (unknown origin)
50046643	2	ChEMBL_1520468 (CHEMBL3624597)	Inhibition of rat ovarian aromatase
50046643	3	ChEMBL_1520469 (CHEMBL3624598)	Inhibition of human placental aromatase
50046643	4	ChEMBL_1520470 (CHEMBL3624599)	Inhibition of human placental aromatase assessed as conversion of [1beta-3H]androst-4-ene-3,17-dione to estrone after 15 mins by scintillation counting
50046643	5	ChEMBL_1520471 (CHEMBL3624600)	Inhibition of human placental aromatase using [1,2,6,7-3H] androstenedione as substrate
50046643	6	ChEMBL_1520472 (CHEMBL3624601)	Inhibition of aromatase (unknown origin) after 30 mins by fluorescence assay
50046643	7	ChEMBL_1520473 (CHEMBL3624602)	Inhibition of human placental aromatase in presence of [1beta,2beta-3H] testosterone by Thompson and Siiteri method
50026367	2	ChEMBL_487685 (CHEMBL1010302)	Agonist activity at human progesterone receptor
50026367	6	ChEMBL_491240 (CHEMBL988310)	Agonist activity at human progesterone receptor in human T47D cells assessed as alkaline phosphatase activity
50026367	5	ChEMBL_491245 (CHEMBL989198)	Agonist activity at human androgen receptor
50026367	4	ChEMBL_491248 (CHEMBL989201)	Antagonist activity at human glucocorticoid receptor
50026367	1	ChEMBL_491252 (CHEMBL989205)	Antagonist activity at human mineralocorticoid receptor
50026367	3	ChEMBL_491263 (CHEMBL989216)	Binding affinity at human progesterone receptor
50046643	8	ChEMBL_1520474 (CHEMBL3624603)	Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione as substrate after 1 hr by scintillation spectrometry
50026370	1	ChEMBL_491618 (CHEMBL945389)	Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane
50026370	2	ChEMBL_491619 (CHEMBL945390)	Antagonist activity at human histamine H3 receptor expressed in CHOK1 cells by [3H]R(-)-alpha-methylhistamine displacement assay
50026370	3	ChEMBL_491620 (CHEMBL945391)	Inverse agonist activity at human H3 receptor expressed in CHOK1 cells by GTPgammaS binding assay
50026371	2	ChEMBL_491631 (CHEMBL945402)	Inhibition of Plasmodium falciparum recombinant falcipain-3
50026371	1	ChEMBL_491630 (CHEMBL945401)	Inhibition of Plasmodium falciparum recombinant falcipain-2
50026373	3	ChEMBL_491666 (CHEMBL946384)	Inhibition of human glycogen phosphorylase alpha in presence of glucose
50026373	2	ChEMBL_491667 (CHEMBL946385)	Inhibition of human glycogen phosphorylase alpha in absence of glucose
50026373	1	ChEMBL_491654 (CHEMBL946372)	Inhibition of human glycogen phosphorylase alpha
50026373	4	ChEMBL_491655 (CHEMBL946373)	Inhibition of human glycogen phosphorylase alpha in HepG2 cells assessed as inhibition of forskolin-induced glycogenolysis after 60 mins
50026374	1	ChEMBL_491689 (CHEMBL949544)	Inhibition of Src
50026374	3	ChEMBL_491669 (CHEMBL946387)	Inhibition of p38alpha
50026374	5	ChEMBL_491671 (CHEMBL946389)	Inhibition of KDR
50026374	4	ChEMBL_491668 (CHEMBL946386)	Inhibition of c-kit
50026374	6	ChEMBL_491673 (CHEMBL946391)	Inhibition of Lck
50026374	2	ChEMBL_491675 (CHEMBL946393)	Inhibition of Abl
50026375	1	ChEMBL_491691 (CHEMBL949546)	Displacement of [125I]BH-SP to human recombinant NK1 receptor in CHO cells
50026378	1	ChEMBL_564490 (CHEMBL957672)	Inhibition of human recombinant DHFR by spectrophotometry
50046643	9	ChEMBL_1520475 (CHEMBL3624604)	Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S as substrate after 1 hr by scintillation spectrometry
50046643	10	ChEMBL_1520476 (CHEMBL3624715)	Inhibition of human placental aromatase assessed as conversion of 3H2O from [1beta,2beta-3H] testosterone after 20 mins by scintillation spectrometer analysis
50046643	11	ChEMBL_1520477 (CHEMBL3624716)	Inhibition of human placental aromatase assessed as conversion of 3H2O from [1beta-3H]AD after 20 mins by Siiteri and Thompson method
50026384	4	ChEMBL_491999 (CHEMBL938682)	Inhibition of DPP4
50026384	1	ChEMBL_492000 (CHEMBL938683)	Inhibition of DPP2
50026384	3	ChEMBL_491998 (CHEMBL938681)	Inhibition of DPP9
50026384	2	ChEMBL_491997 (CHEMBL938680)	Inhibition of DPP8
50026385	1	ChEMBL_492002 (CHEMBL938685)	Inhibition of DPP9
50026385	4	ChEMBL_492003 (CHEMBL938686)	Inhibition of DPP4
50026385	2	ChEMBL_492001 (CHEMBL938684)	Inhibition of DPP8
50026385	3	ChEMBL_492004 (CHEMBL938687)	Inhibition of DPP2
50026392	1	ChEMBL_492334 (CHEMBL948330)	Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells
50026392	2	ChEMBL_492335 (CHEMBL948331)	Inhibition of human recombinant IRAP expressed in HEK293 cells
50026392	3	ChEMBL_492336 (CHEMBL948332)	Inhibition of human recombinant APN expressed in HEK293 cells
50026393	2	ChEMBL_492345 (CHEMBL948341)	Inhibition of recombinant TK1-mediated phosphorylation of [CH3-3H]deoxythymidine
50026393	1	ChEMBL_492346 (CHEMBL948342)	Inhibition of recombinant TK1-mediated phosphorylation of [CH3-3H]deoxythymidine in presence of dithiothreitol
50046644	1	ChEMBL_1520607 (CHEMBL3625155)	Inhibition of EGFR (unknown origin) by ELISA method
50046645	1	ChEMBL_1520796 (CHEMBL3625950)	Inhibition of jack beans urease assessed as hydrolysis of urea into ammonia preincubated for 10 mins followed by urea addition measured after 10 mins by Berthelot assay
50026396	3	ChEMBL_492358 (CHEMBL948354)	Inhibition of KDR by HTRF assay
50026396	2	ChEMBL_492359 (CHEMBL948355)	Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells by ELISA
50026396	1	ChEMBL_492369 (CHEMBL948365)	Inhibition of Flt1 by HTRF assay
50026396	6	ChEMBL_492371 (CHEMBL948367)	Inhibition of Flt3 by HTRF assay
50026396	5	ChEMBL_492372 (CHEMBL948368)	Inhibition of c-Kit by HTRF assay
50026396	4	ChEMBL_492373 (CHEMBL948369)	Inhibition of CSF1R by HTRF assay
50026397	2	ChEMBL_492375 (CHEMBL948371)	Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in rat kidney membrane
50026397	1	ChEMBL_492376 (CHEMBL948372)	Displacement of [3H]Ro 5-4864 from peripheral benzodiazepine receptor in rat kidney membrane
50026398	13	ChEMBL_487421 (CHEMBL1020015)	Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells
50026398	12	ChEMBL_487422 (CHEMBL1020016)	Inhibition of norepinephrine uptake at human norepinephrine transporter expressed in MDCK-Net6 cells
50026398	14	ChEMBL_487423 (CHEMBL1020017)	Inhibition of 5HT uptake at human SERT expressed in human JAR cells
50026398	11	ChEMBL_487428 (CHEMBL1020883)	Inhibition of 5HT uptake at rat brain SERT
50026398	5	ChEMBL_487432 (CHEMBL1020887)	Displacement of [3H]WIN-35428 from human recombinant dopamine transporter expressed in CHO cells
50026398	6	ChEMBL_487433 (CHEMBL1020888)	Activity at 5HT1B receptor assessed as calcium mobilization by FLIPR
50026398	2	ChEMBL_487434 (CHEMBL1020889)	Inhibition of 5HT1B receptor by competition radioligand binding assay
50026398	9	ChEMBL_487436 (CHEMBL1020891)	Inhibition of 5HT1D receptor by competition radioligand binding assay
50026398	7	ChEMBL_487438 (CHEMBL1020893)	Inhibition of 5HT2A receptor by competition radioligand binding assay
50026398	17	ChEMBL_487440 (CHEMBL1020895)	Inhibition of 5HT2B receptor by competition radioligand binding assay
50026398	15	ChEMBL_487442 (CHEMBL1020897)	Inhibition of 5HT6 receptor by competition radioligand binding assay
50026398	4	ChEMBL_487444 (CHEMBL1020899)	Inhibition of 5HT7 receptor by competition radioligand binding assay
50026398	3	ChEMBL_487435 (CHEMBL1020890)	Activity at 5HT1D receptor assessed as calcium mobilization by FLIPR
50026398	10	ChEMBL_487437 (CHEMBL1020892)	Activity at 5HT2A receptor assessed as calcium mobilization by FLIPR
50026398	8	ChEMBL_487439 (CHEMBL1020894)	Activity at 5HT2B receptor assessed as calcium mobilization by FLIPR
50026398	16	ChEMBL_487441 (CHEMBL1020896)	Activity at 5HT6 receptor assessed as calcium mobilization by FLIPR
50026398	1	ChEMBL_487443 (CHEMBL1020898)	Activity at 5HT7 receptor assessed as calcium mobilization by FLIPR
50026399	1	ChEMBL_487490 (CHEMBL1016552)	Inhibition of TPH2 in human BON cells assessed as inhibition of serotonin biosynthesis
50026399	3	ChEMBL_487488 (CHEMBL1016550)	Inhibition of TPH1
50026399	2	ChEMBL_487489 (CHEMBL1016551)	Inhibition of TPH1 in RBL cells assessed as inhibition of serotonin biosynthesis
50026400	1	ChEMBL_491362 (CHEMBL986416)	Antagonist activity at human adenosine A2A receptor
50026404	4	ChEMBL_491413 (CHEMBL945376)	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase
50026404	2	ChEMBL_491411 (CHEMBL945374)	Inhibition of Crithidia fasciculata free trypanothione reductase
50026404	3	ChEMBL_491412 (CHEMBL945375)	Inhibition of Crithidia fasciculata trypanothione reductase-substrate complex
50026407	2	ChEMBL_491717 (CHEMBL949572)	Inhibition of recombinant HDAC6 expressed in HEK293 cells
50026407	1	ChEMBL_491716 (CHEMBL949571)	Inhibition of recombinant HDAC1 expressed in HEK293 cells
50026407	4	ChEMBL_491721 (CHEMBL949576)	Inhibition of recombinant HDAC1 expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burke plot
50026407	3	ChEMBL_491722 (CHEMBL949577)	Inhibition of recombinant HDAC6 expressed in HEK293 cells using variable substrate concentration by Lineweaver-Burke plot
50026408	2	ChEMBL_491742 (CHEMBL950545)	Inhibition of PKCzeta by TR-FRET based LanthaScreen assay
50026408	1	ChEMBL_491743 (CHEMBL950546)	Inhibition of IL1-induced NF-kappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA
50026412	1	ChEMBL_491754 (CHEMBL937825)	Inhibition of aromatase over-expressed in human SKBR3 cells
50026412	2	ChEMBL_491749 (CHEMBL937820)	Inhibition of aromatase in human placental microsomes
50026413	1	ChEMBL_491756 (CHEMBL937827)	Antagonist activity at human adenosine A2A receptor
50026415	2	ChEMBL_491774 (CHEMBL937845)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cells
50026415	3	ChEMBL_491776 (CHEMBL937847)	Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cells
50026415	1	ChEMBL_491772 (CHEMBL937843)	Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells
50026418	1	ChEMBL_491790 (CHEMBL937861)	Binding affinity to purified Toxoplasma gondii adenosine kinase
50046646	1	ChEMBL_1520799 (CHEMBL3625953)	Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay
50026428	1	ChEMBL_492116 (CHEMBL947458)	Displacement of [3H]nicotine from chick alpha4beta2 nAChR
50026429	4	ChEMBL_490315 (CHEMBL981109)	Inhibition of NK1 receptor
50026429	3	ChEMBL_490313 (CHEMBL981107)	Inhibition of DPP4
50026429	2	ChEMBL_490321 (CHEMBL981115)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50026429	6	ChEMBL_490322 (CHEMBL981116)	Inhibition of prostaglandin DP receptor
50026429	1	ChEMBL_490330 (CHEMBL982027)	Inhibition of human thrombin
50026429	5	ChEMBL_490329 (CHEMBL982026)	Inhibition of cathepsin K
50026438	3	ChEMBL_487505 (CHEMBL1016567)	Inhibition of human recombinant cathepsin B
50026438	1	ChEMBL_487507 (CHEMBL1012296)	Inhibition of human recombinant cathepsin L
50026438	2	ChEMBL_487506 (CHEMBL1012295)	Inhibition of human recombinant cathepsin K
50026440	1	ChEMBL_487515 (CHEMBL1012267)	Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
50026440	2	ChEMBL_487516 (CHEMBL1012268)	Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells
50026440	3	ChEMBL_487517 (CHEMBL1012269)	Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells
50046646	2	ChEMBL_1520800 (CHEMBL3625954)	Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay
50046646	3	ChEMBL_1520801 (CHEMBL3625955)	Inhibition of human SIRT1 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay
50046646	4	ChEMBL_1520802 (CHEMBL3625956)	Inhibition of human SIRT2 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay
50029972	12	ChEMBL_143246 (CHEMBL752534)	Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line Sf 9 by using [3H]MCC
50026444	2	ChEMBL_487545 (CHEMBL1013139)	Inhibition of MMP2
50026445	1	ChEMBL_487546 (CHEMBL1013140)	Displacement of [3H]testosterone from wild type human androgen receptor
50026445	2	ChEMBL_487550 (CHEMBL1013144)	Antagonist activity at wild type human recombinant androgen receptor assessed as inhibition of testosterone-induced growth of mouse androgen dependent SC3 cells by WST-1 method
50026446	2	ChEMBL_487557 (CHEMBL1013151)	Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site
50026446	1	ChEMBL_487560 (CHEMBL1013154)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50026449	2	ChEMBL_487566 (CHEMBL1013160)	Inhibition of human recombinant p38alpha MAPK expressed in Escherichia coli by radioisotopic protein kinase assay
50026449	1	ChEMBL_487567 (CHEMBL1013161)	Inhibition of GST fused human recombinant ALK5 expressed in Sf9 cells by radioisotopic protein kinase assay
50026453	1	ChEMBL_487669 (CHEMBL1009437)	Inhibition of G-quadruplex-induced human TERT in H1299 cells by TRAP assay
50026456	3	ChEMBL_487682 (CHEMBL1009450)	Inhibition of human recombinant cathepsin L by fluorescence assay
50026456	1	ChEMBL_487680 (CHEMBL1009448)	Inhibition of human recombinant cathepsin S by fluorescence assay
50029972	11	ChEMBL_138204 (CHEMBL748433)	Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-M
50026456	2	ChEMBL_487681 (CHEMBL1009449)	Inhibition of human recombinant cathepsin K by fluorescence assay
50026457	1	ChEMBL_487696 (CHEMBL1010313)	Inhibition of human recombinant carbonic anhydrase 2 assessed as activity of carbonic anhydrase 2 esterase activity against 4-nitrophenyl acetate
50026458	3	ChEMBL_487710 (CHEMBL1022735)	Inhibition of IGF1R
50026458	2	ChEMBL_487711 (CHEMBL1022736)	Inhibition of IGF1R in mouse SAL cells assessed as thymidine incorporation
50026458	1	ChEMBL_487712 (CHEMBL1022737)	Inhibition of CYP3A4
50026462	2	ChEMBL_487724 (CHEMBL1009456)	Activity at mu opioid receptor in Wistar rat brain assessed as stimulation of [35S]GTPgammaS binding
50026462	1	ChEMBL_487719 (CHEMBL1022744)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain
50026462	4	ChEMBL_487720 (CHEMBL1022745)	Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain
50026462	3	ChEMBL_487721 (CHEMBL1009453)	Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain
50026464	1	ChEMBL_487726 (CHEMBL1009458)	Inhibition of KDR
50026465	10	ChEMBL_487750 (CHEMBL1009482)	Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of urotensin 2-induced calcium mobilization by FLIPR assay
50026465	4	ChEMBL_487752 (CHEMBL1009484)	Inhibition of CYP3A4
50026465	11	ChEMBL_487748 (CHEMBL1009480)	Inhibition of CYP2D6
50026465	8	ChEMBL_487756 (CHEMBL1009488)	Binding affinity to 5HT1A receptor
50026465	5	ChEMBL_487757 (CHEMBL1009489)	Binding affinity to 5HT1D receptor
50026465	7	ChEMBL_487758 (CHEMBL1009490)	Binding affinity at 5HT2B receptor
50026465	9	ChEMBL_487759 (CHEMBL1009491)	Binding affinity at 5HT2C receptor
50026465	13	ChEMBL_487760 (CHEMBL1009492)	Binding affinity to dopamine D2 receptor
50026465	12	ChEMBL_487761 (CHEMBL1009493)	Binding affinity to 5HT1E receptor
50026465	1	ChEMBL_487762 (CHEMBL1009494)	Binding affinity to 5HT1F receptor
50026465	2	ChEMBL_487763 (CHEMBL1009495)	Binding affinity to 5HT6 receptor
50026468	1	ChEMBL_487803 (CHEMBL1019235)	Inhibition of STAT3 Y705 phosphorylation in human U266 cells by Western blot analysis
50026469	9	ChEMBL_487847 (CHEMBL1020033)	Displacement of [35S]MK499 from human ERG expressed in HEL cells
50026469	3	ChEMBL_487863 (CHEMBL1020049)	Inhibition of cloned human CENP-E
50026469	2	ChEMBL_487864 (CHEMBL1020050)	Inhibition of cloned human MKLP1
50026469	7	ChEMBL_487865 (CHEMBL1020051)	Inhibition of cloned human Kif3A
50026469	6	ChEMBL_487866 (CHEMBL1020052)	Inhibition of cloned human Kif1B
50026469	5	ChEMBL_487867 (CHEMBL1020053)	Inhibition of cloned human uKHC
50026469	4	ChEMBL_487868 (CHEMBL1020054)	Inhibition of cloned human nKHC
50026469	8	ChEMBL_487869 (CHEMBL1020055)	Inhibition of cloned human Kif14
50026469	1	ChEMBL_487870 (CHEMBL1020056)	Inhibition of cloned human MCAK
50030047	7	ChEMBL_217302 (CHEMBL823923)	Tested for functional activity against neuronal nicotinic acetylcholine receptor(nAChR) expressed in K177 cells using isotopic rubidium efflux assay.
50018115	10	ChEMBL_2264668	Inhibition of human CDK9/cyclin T1 in presence of gamma32P-ATP by scintillation counter analysis
50018115	11	ChEMBL_2264669	Inhibition of human CDK1/Cyclin B in presence of gamma32P-ATP by scintillation counter analysis
50048684	1	ChEMBL_216003 (CHEMBL820506)	The compound was tested for inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat frontal cortex
50035789	12	ChEMBL_138643 (CHEMBL749273)	Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane
50006402	36	ChEMBL_34058 (CHEMBL643915)	Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex
50006402	30	ChEMBL_34008 (CHEMBL643637)	Inhibitory activity against [3H]WB-4101 binding to Alpha-1 adrenergic receptor in rat whole brain membrane
50006402	32	ChEMBL_875 (CHEMBL615930)	Inhibitory activity against [3H]DPAT binding to 5-HT1A receptor in rat hippocampus
50006402	28	ChEMBL_34061 (CHEMBL643918)	Inhibitory activity against [3H]yohimbine binding to Alpha-2 adrenergic receptor in rat cortex
50006402	31	ChEMBL_1930 (CHEMBL616984)	Inhibitory activity against [3H]spiroperidol binding to 5-HT2 receptor in rat cortex
50006402	29	ChEMBL_34060 (CHEMBL643917)	Inhibitory activity against [3H]idazoxan binding to Alpha-2 adrenergic receptor in rat cortex, in the presence of GPP
50006402	27	ChEMBL_138911 (CHEMBL744143)	Inhibitory activity against [3H]oxotremorine-M binding to muscarinic receptors in rat forebrain membrane
50006402	35	ChEMBL_34059 (CHEMBL643916)	Inhibitory activity against [3H]-idazoxan binding to Alpha-2 adrenergic receptor in rat cortex
50006402	37	ChEMBL_29223 (CHEMBL641389)	Inhibitory activity against acetylcholinesterase in rat striatal preparation
50006402	38	ChEMBL_140053 (CHEMBL745870)	Inhibitory activity against [3H]N-methyl-scopolamine in rat Muscarinic acetylcholine receptor M2 cerebellum in the presence GPP(NH)P
50036474	2	ChEMBL_208012 (CHEMBL816092)	Binding affinity towards HSV-1 thymidine kinase
50026475	3	ChEMBL_487981 (CHEMBL1013112)	Inhibition of C57BL/6 mouse 11betaHSD1 in presence of human serum
50026475	2	ChEMBL_487980 (CHEMBL1013111)	Inhibition of rat 11betaHSD1
50037288	35	ChEMBL_33614 (CHEMBL652821)	Binding affinity towards recombinant human alpha-1A adrenergic receptor
50037288	29	ChEMBL_138337 (CHEMBL747767)	Binding affinity towards human muscarinic receptor
50037883	4	ChEMBL_435942 (CHEMBL905347)	Inhibition of human DNA polymerase delta
50038017	9	ChEMBL_454758 (CHEMBL886786)	Inhibition of human fibroblast mitochondrial TK2 using dCyd substrate
50038017	3	ChEMBL_454757 (CHEMBL886769)	Inhibition of human fibroblast mitochondrial TK2 using dThd substrate
50030187	2	ChEMBL_550891 (CHEMBL997334)	Inhibition of full-length MSR1 transfected in HEK293 cells by fluorimetry
50031532	7	ChEMBL_627487 (CHEMBL1111773)	Uncompetitive inhibition of human recombinant mitochondrial thymidine kinase 2 using thymidine as substrate by Lineweaver-Burke plotting
50031532	6	ChEMBL_627486 (CHEMBL1111772)	Competitive inhibition of human recombinant mitochondrial thymidine kinase 2 using ATP as substrate by Lineweaver-Burke plotting
50033533	11	ChEMBL_753297 (CHEMBL1799508)	Inhibition of P110delta/p85alpha
50033533	12	ChEMBL_753296 (CHEMBL1799507)	Inhibition of P110alpha/p85alpha
50034170	4	ChEMBL_790088 (CHEMBL1925478)	Inhibition of PIK3 gamma-mediated Akt phosphorylation at Ser473 in human PC3 cells by ELISA
50039514	15	ChEMBL_811408 (CHEMBL2013620)	Inhibition of human DNA polymerase delta assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	12	ChEMBL_811440 (CHEMBL2013698)	Non-competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using ploy(dA)/oligo(dT)18 as substrate by Dixon plot analysis
50039514	11	ChEMBL_811439 (CHEMBL2013697)	Competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using dTTP as substrate by Dixon plot analysis
50040765	1	ChEMBL_876789 (CHEMBL2183606)	Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography
50040765	18	ChEMBL_876774 (CHEMBL2183591)	Inhibition of DGAT1 in human HuTu80 cells
50040765	25	ChEMBL_876776 (CHEMBL2183593)	Inhibition of DGAT1 in human liver microsomes
50040765	26	ChEMBL_876770 (CHEMBL2183587)	Inhibition of DGAT1 in rat adipose tissue assessed as reduction in triacylglycerol synthesis
50042441	1	ChEMBL_935826 (CHEMBL2317612)	Inhibition of PI3Kalpha in human SKOV3 cells assessed as inhibition of Akt Ser473 phosphorylation at 1 to 1000 nM after 1 hr by immunoblot analysis
50042645	15	ChEMBL_949378 (CHEMBL2339793)	Inhibition of human DNA polymerase iota using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042645	12	ChEMBL_942167 (CHEMBL2341800)	Inhibition of human DNA polymerase delta using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50043356	4	ChEMBL_980598 (CHEMBL2423115)	Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis
50043356	5	ChEMBL_980599 (CHEMBL2423116)	Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillation counting analysis
50043894	3	ChEMBL_1292924 (CHEMBL3122829)	Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by substrate addition measured after 180 mins by luminescence assay
50043894	4	ChEMBL_1292919 (CHEMBL3122824)	Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured after 45 to 60 mins
50046647	1	ChEMBL_1520827 (CHEMBL3626095)	Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA isomer relaxation preincubated for 5 mins followed by pBS(SK+) DNA addition by agarose gel electrophoresis
50046648	1	ChEMBL_1521033 (CHEMBL3624464)	Inhibition of EGFR exon19 deletion mutant (unknown origin) by HTRF assay in presence of Km of ATP
50046648	2	ChEMBL_1521035 (CHEMBL3624466)	Inhibition of EGFR exon19 deletion mutant (unknown origin) by HTRF assay in presence of 2mM of ATP
50046648	3	ChEMBL_1521036 (CHEMBL3624467)	Inhibition of EGFR L858R mutant (unknown origin) by HTRF assay in presence of Km of ATP
50046648	4	ChEMBL_1521037 (CHEMBL3624468)	Inhibition of EGFR L858R mutant (unknown origin) by HTRF assay in presence of 2 mM of ATP
50046648	5	ChEMBL_1521038 (CHEMBL3624469)	Inhibition of EGFR (unknown origin) by HTRF assay in presence of Km of ATP
50046648	6	ChEMBL_1521034 (CHEMBL3624465)	Inhibition of EGFR (unknown origin) by HTRF assay in presence of 2 mM of ATP
50046648	7	ChEMBL_1521039 (CHEMBL3624470)	Inhibition of EGFR phosphorylation in human H838 cells
50046648	8	ChEMBL_1521053 (CHEMBL3624484)	Inhibition of recombinant KDR (unknown origin) after 40 mins by scintillation counting analysis in presence of [gamma33P]-ATP
50046648	9	ChEMBL_1521054 (CHEMBL3624485)	Inhibition of recombinant Src (unknown origin) after 40 mins by scintillation counting analysis in presence of [gamma33P]-ATP
50046648	10	ChEMBL_1521055 (CHEMBL3624486)	Inhibition of recombinant D2 receptor (unknown origin)
50046648	11	ChEMBL_1521056 (CHEMBL3624487)	Inhibition of CYP1A2 (unknown origin)
50046648	12	ChEMBL_1521057 (CHEMBL3624488)	Inhibition of CYP2B6 (unknown origin)
50046648	13	ChEMBL_1521058 (CHEMBL3624489)	Inhibition of CYP2C8 (unknown origin)
50026481	1	ChEMBL_488018 (CHEMBL983035)	Inhibition of human PHD2 assessed as hydroxylation of Pro564 in human HIF-1alpha by TR-FRET assay
50026483	1	ChEMBL_488023 (CHEMBL983040)	Inhibition of Aurora kinase A
50046648	14	ChEMBL_1521059 (CHEMBL3624605)	Inhibition of CYP2C9 (unknown origin)
50046648	15	ChEMBL_1521060 (CHEMBL3624606)	Inhibition of CYP2C19 (unknown origin)
50046648	16	ChEMBL_1521061 (CHEMBL3624607)	Inhibition of CYP2D6 (unknown origin)
50046648	17	ChEMBL_1521062 (CHEMBL3624608)	Inhibition of CYP3A4 (unknown origin)
50046648	18	ChEMBL_1521063 (CHEMBL3624609)	Inhibition of CYP3A5 (unknown origin)
50046648	19	ChEMBL_1521004 (CHEMBL3624308)	Inhibition of human CYP2C9
50046648	20	ChEMBL_1521005 (CHEMBL3624309)	Inhibition of human CYP2D6
50046648	21	ChEMBL_1521006 (CHEMBL3624310)	Inhibition of human CYP3A4
50046648	22	ChEMBL_1521007 (CHEMBL3624311)	Inhibition of human ERG by patch clamp assay
50046649	1	ChEMBL_1521283 (CHEMBL3626932)	Inhibition of ovine COX-1 using arachidonic acid after 15 mins by fluorescence based assay
50046649	2	ChEMBL_1521284 (CHEMBL3626933)	Inhibition of human recombinant COX-2 using arachidonic acid after 15 mins by fluorescence based assay
50046650	1	ChEMBL_1521546 (CHEMBL3627424)	Inhibition of BMX (unknown origin)
50046650	2	ChEMBL_1521547 (CHEMBL3627425)	Inhibition of ITK (unknown origin)
50046650	3	ChEMBL_1521548 (CHEMBL3627426)	Inhibition of TEC (unknown origin)
50046650	4	ChEMBL_1521549 (CHEMBL3627427)	Inhibition of TXK (unknown origin)
50046650	5	ChEMBL_1521550 (CHEMBL3627428)	Inhibition of Aurora-A (unknown origin)
50046650	6	ChEMBL_1521551 (CHEMBL3627429)	Inhibition of CDK2 (unknown origin)
50046650	7	ChEMBL_1521552 (CHEMBL3627430)	Inhibition of cKIT (unknown origin)
50046650	8	ChEMBL_1521553 (CHEMBL3627431)	Inhibition of LCK (unknown origin)
50046650	9	ChEMBL_1521554 (CHEMBL3627432)	Inhibition of LYNa (unknown origin)
50046650	10	ChEMBL_1521555 (CHEMBL3627433)	Inhibition of TYK2 (unknown origin)
50026487	5	ChEMBL_490537 (CHEMBL981143)	Inhibition of PTP1B
50026487	3	ChEMBL_490538 (CHEMBL981144)	Inhibition of LAR
50026487	2	ChEMBL_490543 (CHEMBL981149)	Inhibition of CD45
50026487	1	ChEMBL_490536 (CHEMBL981142)	Inhibition of TCPTP
50026487	4	ChEMBL_490542 (CHEMBL981148)	Inhibition of human PTP1B
50026487	6	ChEMBL_490539 (CHEMBL981145)	Inhibition of human recombinant LAR
50026491	1	ChEMBL_488046 (CHEMBL983063)	Inhibition of CYP3A4 in human liver microsome
50046650	11	ChEMBL_1521544 (CHEMBL3627422)	Inhibition of JAK2 (unknown origin)
50046650	12	ChEMBL_1521543 (CHEMBL3627421)	Inhibition of human recombinant BTK
50026494	3	ChEMBL_488054 (CHEMBL983864)	Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HeLa cells
50026494	1	ChEMBL_488055 (CHEMBL983865)	Antagonist activity at cloned human 5HT6 receptor expressed in HeLa cells assessed as production of cAMP
50026494	2	ChEMBL_488053 (CHEMBL983863)	Inhibition of 5HT2C
50026496	1	ChEMBL_490552 (CHEMBL981158)	Inhibition of human IMP dehydrogenase 2
50026496	2	ChEMBL_490551 (CHEMBL981157)	Inhibition of human IMP dehydrogenase 1
50026499	2	ChEMBL_557650 (CHEMBL961600)	Inhibition of Trypanosoma cruzi recombinant cruzain by fluorescence technique
50026499	1	ChEMBL_557649 (CHEMBL961599)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by fluorescence technique
50026500	1	ChEMBL_488356 (CHEMBL984789)	Inhibition of T-type calcium channel Cav3.1 alpha1G expressed in HEK293 cells by whole cell patch-clamp method
50026501	3	ChEMBL_488063 (CHEMBL983873)	Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum
50026501	1	ChEMBL_488064 (CHEMBL983874)	Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatum
50026501	2	ChEMBL_488065 (CHEMBL983875)	Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus striatum
50026503	1	ChEMBL_490564 (CHEMBL981170)	Inhibition of bovine AChE by Ellman's method
50026503	2	ChEMBL_490565 (CHEMBL981171)	Inhibition of equine BChE by Ellman's method
50026504	2	ChEMBL_490570 (CHEMBL981177)	Inhibition of human ZAP70
50026504	1	ChEMBL_490574 (CHEMBL981181)	Inhibition of Lck
50026504	4	ChEMBL_490575 (CHEMBL981182)	Inhibition of PKCbeta2
50026504	3	ChEMBL_490569 (CHEMBL981176)	Inhibition of human Syk
50026506	2	ChEMBL_488091 (CHEMBL986573)	Agonist activity at human thyroid hormone receptor alpha expressed in CV1 cells by TRE-luciferase assay
50026506	1	ChEMBL_488092 (CHEMBL986574)	Agonist activity at human thyroid hormone receptor beta expressed in CV1 cells by TRE-luciferase assay
50026511	2	ChEMBL_564751 (CHEMBL953451)	Inhibition of CDK1/cyclin B
50026511	1	ChEMBL_564752 (CHEMBL953452)	Inhibition of CDK5
50026511	3	ChEMBL_564753 (CHEMBL953453)	Inhibition of GSK3-beta
50026513	2	ChEMBL_488104 (CHEMBL986586)	Inhibition of PARP1
50026515	1	ChEMBL_488137 (CHEMBL987428)	Inhibition of LTA4 hydrolase by hydrolase assay
50026515	2	ChEMBL_488138 (CHEMBL987429)	Inhibition of LTA4 hydrolase by whole blood assay
50026516	2	ChEMBL_488147 (CHEMBL990108)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50026516	1	ChEMBL_488146 (CHEMBL987437)	Antagonist activity at human progesterone receptor expressed in CHO cells assessed as inhibition of progesterone-induced luciferase activity by reporter gene assay
50026518	1	ChEMBL_488153 (CHEMBL990114)	Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay
50026520	1	ChEMBL_488186 (CHEMBL990147)	Inhibition of human adenosine A3 receptor
50026528	1	ChEMBL_488465 (CHEMBL990998)	Inhibition of LTA4 hydrolase in human whole blood
50026528	2	ChEMBL_488464 (CHEMBL990997)	Inhibition of LTA4 hydrolase
50026535	1	ChEMBL_540122 (CHEMBL1026470)	Inhibition of PTP1B
50046651	1	ChEMBL_1521566 (CHEMBL3627444)	Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay
50046651	2	ChEMBL_1521567 (CHEMBL3627445)	Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation measured after 15 mins by flow cytometric analysis
50046651	3	ChEMBL_1521568 (CHEMBL3627446)	Inhibition of Syk in anti-CD32 stimulated CD14+ human monocytes in presence of 90% human blood assessed as phospho-SLP76 level preincubated for 30 mins followed by anti-CD32 stimulation measured after 5 mins by flow cytometric analysis
50026539	2	ChEMBL_488542 (CHEMBL982857)	Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay
50026542	2	ChEMBL_490807 (CHEMBL992744)	Binding affinity to human cloned dopamine D3 receptor
50026542	6	ChEMBL_490804 (CHEMBL992741)	Binding affinity to human cloned dopamine D1 receptor
50026542	4	ChEMBL_490805 (CHEMBL992742)	Binding affinity to human cloned 5HT2B receptor
50026542	10	ChEMBL_490802 (CHEMBL992739)	Binding affinity to human cloned 5HT6 receptor
50026542	7	ChEMBL_490803 (CHEMBL992740)	Binding affinity to human cloned muscarinic M1 receptor
50026542	5	ChEMBL_490814 (CHEMBL992751)	Binding affinity to human DAT
50026542	8	ChEMBL_490816 (CHEMBL992753)	Binding affinity to human SERT
50026542	9	ChEMBL_490810 (CHEMBL992747)	Binding affinity to human cloned 5HT2C receptor
50026542	12	ChEMBL_490812 (CHEMBL992749)	Binding affinity to human cloned 5HT1A receptor
50026542	13	ChEMBL_490813 (CHEMBL992750)	Binding affinity to human cloned 5HT2A receptor
50026542	11	ChEMBL_490811 (CHEMBL992748)	Binding affinity to human cloned histamine H1 receptor
50026542	3	ChEMBL_490806 (CHEMBL992743)	Binding affinity to human cloned dopamine D2 receptor
50026542	1	ChEMBL_490808 (CHEMBL992745)	Binding affinity to human cloned dopamine D4 receptor
50026543	1	ChEMBL_490820 (CHEMBL993559)	Binding affinity to CB1 receptor
50026543	2	ChEMBL_490821 (CHEMBL993560)	Binding affinity to CB2 receptor
50046651	5	ChEMBL_1521575 (CHEMBL3627500)	Inhibition of human ERG by binding assay
50046651	6	ChEMBL_1521783 (CHEMBL3626606)	Inhibition of human ERG by automated patch clamp assay
50046651	7	ChEMBL_1521798 (CHEMBL3626658)	Inhibition of aurora A kinase (unknown origin) by enzymatic assay
50046652	1	ChEMBL_1521806 (CHEMBL3626666)	Competitive inhibition of human FolD dehydrogenase activity
50046653	1	ChEMBL_1521809 (CHEMBL3626669)	Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes
50046653	2	ChEMBL_1521810 (CHEMBL3626670)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes
50046653	3	ChEMBL_1521812 (CHEMBL3626672)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding
50046653	4	ChEMBL_1521811 (CHEMBL3626671)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes
50026550	3	ChEMBL_491031 (CHEMBL982079)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus
50026550	4	ChEMBL_491034 (CHEMBL982082)	Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat brain striatum
50026550	6	ChEMBL_491035 (CHEMBL982895)	Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat brain striatum
50026550	5	ChEMBL_491036 (CHEMBL982896)	Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat brain cortex
50026550	2	ChEMBL_491041 (CHEMBL982901)	Agonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as increase in [35S]GTPgammaS binding
50026550	1	ChEMBL_491042 (CHEMBL982902)	Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTPgammaS binding
50026552	2	ChEMBL_488814 (CHEMBL985694)	Inhibition of COX2 in human whole blood assessed as effect on thrombin-induced TXB2 production
50026552	4	ChEMBL_488807 (CHEMBL985687)	Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay
50026552	3	ChEMBL_488806 (CHEMBL985686)	Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay
50026555	11	ChEMBL_489014 (CHEMBL986355)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells
50026555	9	ChEMBL_489010 (CHEMBL986351)	Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide from human ERG in HEK293 cells
50026555	4	ChEMBL_489015 (CHEMBL986356)	Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in HEK293 cells coexpressed with CRE-beta-lactamase
50026555	12	ChEMBL_489016 (CHEMBL986357)	Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in HEK293T cells
50026555	13	ChEMBL_489018 (CHEMBL986359)	Inhibition of human histamine H1 receptor
50026555	14	ChEMBL_489019 (CHEMBL986360)	Inhibition of human histamine H2 receptor
50026555	6	ChEMBL_489020 (CHEMBL986361)	Inhibition of human histamine H4 receptor
50026555	1	ChEMBL_489042 (CHEMBL986383)	Inhibition of CYP1A2
50026555	3	ChEMBL_489044 (CHEMBL986385)	Inhibition of CYP2C9
50026555	8	ChEMBL_489045 (CHEMBL986386)	Inhibition of CYP2C19
50026555	7	ChEMBL_489046 (CHEMBL986387)	Inhibition of CYP2D6
50026555	10	ChEMBL_489047 (CHEMBL986388)	Inhibition of CYP3A4
50026560	1	ChEMBL_564904 (CHEMBL955901)	Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in rat cerebral cortex by liquid scintillation method
50026562	3	ChEMBL_489066 (CHEMBL987286)	Inhibition of alpha-mannosidase in human LNZ308 cells
50026562	1	ChEMBL_489067 (CHEMBL987287)	Inhibition of alpha-mannosidase in human LN18 cells
50026562	2	ChEMBL_489068 (CHEMBL987288)	Inhibition of alpha-mannosidase in human HCEC
50026563	1	ChEMBL_488660 (CHEMBL988350)	Displacement of [125]Ang2 from AT1 receptor in rat liver membrane
50026563	2	ChEMBL_488661 (CHEMBL988351)	Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane
50026565	5	ChEMBL_488663 (CHEMBL988353)	Inhibition of human plasma DPP4
50026565	4	ChEMBL_488664 (CHEMBL988354)	Inhibition of DPP2
50026565	3	ChEMBL_488665 (CHEMBL988355)	Inhibition of DPP8
50026565	2	ChEMBL_488666 (CHEMBL988356)	Inhibition of DPP9
50026565	1	ChEMBL_488667 (CHEMBL988357)	Inhibition of PPCE
50026566	5	ChEMBL_488674 (CHEMBL988364)	Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK1 cell
50026566	2	ChEMBL_488682 (CHEMBL988372)	Antagonist activity at human cloned 5HT2C receptor expressed in CHO cell assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding
50026566	4	ChEMBL_488683 (CHEMBL988373)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor
50026566	7	ChEMBL_488684 (CHEMBL988374)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor
50026566	9	ChEMBL_488685 (CHEMBL988375)	Displacement of [3H]LSD from human cloned 5HT6 receptor
50026566	1	ChEMBL_488686 (CHEMBL988376)	Displacement of [3H]LSD from human cloned 5HT7 receptor
50026566	3	ChEMBL_488687 (CHEMBL988377)	Displacement of [3H]spiperone from human cloned dopamine D2 receptor
50026566	6	ChEMBL_488688 (CHEMBL988378)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor
50026566	8	ChEMBL_488689 (CHEMBL988379)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor
50026567	3	ChEMBL_489078 (CHEMBL987298)	Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl}methyl)amino]carbonyl}benzoic acid from human p38alpha by fluorescence polarization
50026567	5	ChEMBL_489079 (CHEMBL987299)	Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRET assay
50026567	11	ChEMBL_489080 (CHEMBL987300)	Inhibition of HSP27 phosphorylation in IL-1-alpha-stimulated HLF cells
50026567	12	ChEMBL_489081 (CHEMBL987301)	Inhibition of p38alpha phosphorylation in IL-1-alpha-stimulated HLF cells
50026567	18	ChEMBL_489224 (CHEMBL989971)	Inhibition of cRAF
50026567	2	ChEMBL_489225 (CHEMBL989972)	Inhibition of mouse LCK
50026567	1	ChEMBL_489226 (CHEMBL989973)	Inhibition of LYN
50026567	6	ChEMBL_489227 (CHEMBL989974)	Inhibition of KIT
50026567	4	ChEMBL_489228 (CHEMBL989975)	Inhibition of LCK
50026567	8	ChEMBL_489229 (CHEMBL989976)	Inhibition of LOK
50026567	14	ChEMBL_489231 (CHEMBL989978)	Inhibition of PDGFR-alpha/beta
50026567	13	ChEMBL_489230 (CHEMBL989977)	Inhibition of p38beta/gamma
50026567	19	ChEMBL_489235 (CHEMBL989982)	Inhibition of JNK1
50026567	17	ChEMBL_489233 (CHEMBL989980)	Inhibition of JNK3
50026567	10	ChEMBL_489236 (CHEMBL989983)	Inhibition of SLK
50026567	9	ChEMBL_489237 (CHEMBL989984)	Inhibition of TEK
50026567	7	ChEMBL_489238 (CHEMBL989985)	Inhibition of TNIK
50026568	1	ChEMBL_489239 (CHEMBL989986)	Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal calcium mobilization by calcium 3 assay
50026568	2	ChEMBL_489241 (CHEMBL989988)	Agonist activity at human trace amine associated receptor 1 expressed in AV12-664 cells coexpressed with rat GalphaS protein assessed as cAMP accumulation
50046654	1	ChEMBL_1521828 (CHEMBL3626729)	Binding affinity to human RXRalpha LBD after 15 mins by isothermal titration calorimetry assay
50046654	2	ChEMBL_1521819 (CHEMBL3626679)	Agonist activity at human RXRalpha LBD expressed in HEK293 cells transfected with Gal4 reporter assessed as increase of transcription by dual luciferase reporter assay
50046654	3	ChEMBL_1521822 (CHEMBL3626682)	Agonist activity at RXRalpha LBD (unknown origin) expressed in CV1 cells
50046654	4	ChEMBL_1521818 (CHEMBL3626678)	Binding affinity to human RXRalpha LBD by fluorescence quenching method
50046655	1	ChEMBL_1522029 (CHEMBL3627136)	Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay
50046655	2	ChEMBL_1522030 (CHEMBL3627137)	Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay
50046655	3	ChEMBL_1522031 (CHEMBL3627138)	Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay
50046655	4	ChEMBL_1522023 (CHEMBL3627130)	Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay
50046655	5	ChEMBL_1522021 (CHEMBL3627128)	Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay
50046655	6	ChEMBL_1522022 (CHEMBL3627129)	Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay
50026576	2	ChEMBL_489247 (CHEMBL989994)	Binding affinity to mouse Bcl-XL expressed in Escherichia coli BL21 cells
50026576	1	ChEMBL_489248 (CHEMBL989995)	Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells
50026579	6	ChEMBL_489278 (CHEMBL990834)	Inhibition of human group2V phospholipase A2 fluorimetric assay
50026579	2	ChEMBL_489270 (CHEMBL990826)	Inhibition of human group2A phospholipase A2 fluorimetric assay
50026579	3	ChEMBL_489271 (CHEMBL990827)	Inhibition of mouse group2A phospholipase A2 fluorimetric assay
50026579	13	ChEMBL_489272 (CHEMBL990828)	Inhibition of human group2D phospholipase A2 by [3H]oleic acid-labeled Escherichia coli membrane assay
50026579	14	ChEMBL_489273 (CHEMBL990829)	Inhibition of mouse group2D phospholipase A2 fluorimetric assay
50026579	11	ChEMBL_489274 (CHEMBL990830)	Inhibition of human group2E phospholipase A2 fluorimetric assay
50026579	12	ChEMBL_489275 (CHEMBL990831)	Inhibition of mouse group2E phospholipase A2 fluorimetric assay
50026579	8	ChEMBL_489276 (CHEMBL990832)	Inhibition of human group2F phospholipase A2 fluorimetric assay
50026579	9	ChEMBL_489277 (CHEMBL990833)	Inhibition of mouse group2F phospholipase A2 fluorimetric assay
50026579	7	ChEMBL_489279 (CHEMBL990835)	Inhibition of mouse group2V phospholipase A2 fluorimetric assay
50026579	4	ChEMBL_489280 (CHEMBL990836)	Inhibition of human group2X phospholipase A2 fluorimetric assay
50026579	5	ChEMBL_489281 (CHEMBL990837)	Inhibition of mouse group2X phospholipase A2 fluorimetric assay
50026579	10	ChEMBL_489268 (CHEMBL990824)	Inhibition of human group1B phospholipase A2 fluorimetric assay
50026579	1	ChEMBL_489269 (CHEMBL990825)	Inhibition of mouse group1B phospholipase A2 fluorimetric assay
50046655	7	ChEMBL_1522024 (CHEMBL3627131)	Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay
50046655	8	ChEMBL_1522025 (CHEMBL3627132)	Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay
50046655	9	ChEMBL_1522026 (CHEMBL3627133)	Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay
50046655	10	ChEMBL_1522027 (CHEMBL3627134)	Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay
50026582	1	ChEMBL_489454 (CHEMBL982936)	Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as inhibition of NMDA and glycine-induced current response by two-electrode voltage clamp assay
50026582	2	ChEMBL_489450 (CHEMBL982932)	Inhibition of human recombinant AChE by Ellman's method
50026582	3	ChEMBL_489451 (CHEMBL982933)	Inhibition of human serum BChE by Ellman's method
50046655	11	ChEMBL_1522028 (CHEMBL3627135)	Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay
50046656	1	ChEMBL_1522057 (CHEMBL3627217)	Inhibition of 15-LOX1 (unknown origin)
50046656	2	ChEMBL_1522059 (CHEMBL3627219)	Inhibition of human 15-LOX1 assessed as conversion of linoleic acid to 13(S)-HpODE after 10 mins by UV analysis
50046656	3	ChEMBL_1522060 (CHEMBL3627220)	Competitive inhibition of human 15-LOX1 using linoleic acid as substrate after 10 mins by Lineweaver-Burk plot analysis
50046657	1	ChEMBL_1518909 (CHEMBL3625833)	Inhibition of human recombinant c-RAF
50046657	2	ChEMBL_1518908 (CHEMBL3625832)	Inhibition of human recombinant CHK1
50046657	3	ChEMBL_1518907 (CHEMBL3625831)	Inhibition of human recombinant CDK7
50046657	4	ChEMBL_1518906 (CHEMBL3625830)	Inhibition of human recombinant CDK2
50046657	5	ChEMBL_1518905 (CHEMBL3625829)	Inhibition of human recombinant CaMK4
50046657	6	ChEMBL_1518904 (CHEMBL3625828)	Inhibition of human recombinant BTK
50046657	7	ChEMBL_1518903 (CHEMBL3625827)	Inhibition of human recombinant Bmx
50046657	8	ChEMBL_1518902 (CHEMBL3625826)	Inhibition of human recombinant Axl
50046657	9	ChEMBL_1518901 (CHEMBL3625825)	Inhibition of human recombinant Aurora-B
50046657	10	ChEMBL_1518900 (CHEMBL3625824)	Inhibition of human recombinant AMPKalpha1
50046657	11	ChEMBL_1518899 (CHEMBL3625823)	Inhibition of human recombinant Arg
50046657	12	ChEMBL_1518898 (CHEMBL3625822)	Inhibition of human recombinant Abl
50046657	13	ChEMBL_1518897 (CHEMBL3625821)	Inhibition of human recombinant Ret
50046657	14	ChEMBL_1518896 (CHEMBL3625820)	Inhibition of human recombinant Pim1
50046657	15	ChEMBL_1518895 (CHEMBL3625819)	Inhibition of human recombinant KDR
50046657	16	ChEMBL_1518894 (CHEMBL3625818)	Inhibition of human recombinant Flt4
50046657	17	ChEMBL_1518893 (CHEMBL3625817)	Inhibition of human recombinant Flt1
50046657	18	ChEMBL_1518892 (CHEMBL3625816)	Inhibition of human recombinant PDGFRbeta
50046657	19	ChEMBL_1518891 (CHEMBL3625815)	Inhibition of human recombinant PDGFRalpha
50046657	20	ChEMBL_1518890 (CHEMBL3625814)	Inhibition of human recombinant Fms
50046657	21	ChEMBL_1518889 (CHEMBL3625813)	Inhibition of human recombinant ckit
50046657	22	ChEMBL_1518888 (CHEMBL3625812)	Inhibition of human recombinant Flt3
50046657	23	ChEMBL_1519208 (CHEMBL3624522)	Inhibition of human recombinant Aurora-A
50046657	24	ChEMBL_1518918 (CHEMBL3625842)	Inhibition of human recombinant GSK3beta
50046657	25	ChEMBL_1518917 (CHEMBL3625841)	Inhibition of human recombinant Fyn
50046657	26	ChEMBL_1518916 (CHEMBL3625840)	Inhibition of human recombinant FGFR2
50046657	27	ChEMBL_1518915 (CHEMBL3625839)	Inhibition of human recombinant Fes
50046657	28	ChEMBL_1518914 (CHEMBL3625838)	Inhibition of human recombinant ErbB4
50046657	29	ChEMBL_1518913 (CHEMBL3625837)	Inhibition of human recombinant ErbB2
50046657	30	ChEMBL_1518912 (CHEMBL3625836)	Inhibition of human recombinant EphB2
50046657	31	ChEMBL_1518911 (CHEMBL3625835)	Inhibition of human recombinant EGFR
50046657	32	ChEMBL_1518910 (CHEMBL3625834)	Inhibition of human recombinant DMPK
50046657	33	ChEMBL_1519175 (CHEMBL3624368)	Inhibition of human recombinant TrkB
50046657	34	ChEMBL_1519174 (CHEMBL3624367)	Inhibition of human recombinant Syk
50046657	35	ChEMBL_1519173 (CHEMBL3624366)	Inhibition of human recombinant Rsk1
50046657	36	ChEMBL_1519172 (CHEMBL3624365)	Inhibition of human recombinant Plk1
50046657	37	ChEMBL_1519171 (CHEMBL3624364)	Inhibition of human recombinant PKD2
50046657	38	ChEMBL_1519170 (CHEMBL3624363)	Inhibition of human recombinant PKCmu
50046657	39	ChEMBL_1519169 (CHEMBL3624362)	Inhibition of human recombinant PAK4
50046657	40	ChEMBL_1519168 (CHEMBL3624361)	Inhibition of human recombinant PAK2
50046657	41	ChEMBL_1519167 (CHEMBL3624360)	Inhibition of human recombinant PAK1
50046657	42	ChEMBL_1519166 (CHEMBL3624359)	Inhibition of human recombinant MLK1
50046657	43	ChEMBL_1519165 (CHEMBL3624358)	Inhibition of human recombinant Met
50046657	44	ChEMBL_1519164 (CHEMBL3624357)	Inhibition of human recombinant MEK1
50046657	45	ChEMBL_1519163 (CHEMBL3624356)	Inhibition of human recombinant Lyn
50046657	46	ChEMBL_1519159 (CHEMBL3624352)	Inhibition of human recombinant Lck
50046657	47	ChEMBL_1518919 (CHEMBL3625843)	Inhibition of human recombinant JNK3
50046657	48	ChEMBL_1519162 (CHEMBL3624355)	Inhibition of human recombinant JAK3
50046657	49	ChEMBL_1519161 (CHEMBL3624354)	Inhibition of human recombinant IRE1
50046657	50	ChEMBL_1519160 (CHEMBL3624353)	Inhibition of human recombinant IGF-1R
50026587	17	ChEMBL_489688 (CHEMBL982993)	Inhibition of FYN
50026587	5	ChEMBL_489685 (CHEMBL982989)	Inhibition of PDGFRalpha
50026587	8	ChEMBL_489684 (CHEMBL982988)	Inhibition of MET
50026587	7	ChEMBL_489683 (CHEMBL982987)	Inhibition of IKK-beta
50046658	1	ChEMBL_1519474 (CHEMBL3625533)	Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectrophotometry
50026587	4	ChEMBL_489676 (CHEMBL982980)	Inhibition of ROCK1
50026587	24	ChEMBL_489690 (CHEMBL982995)	Inhibition of LCK
50026587	18	ChEMBL_489687 (CHEMBL982992)	Inhibition of SRC
50026587	14	ChEMBL_489547 (CHEMBL986470)	Inhibition of PKCbeta
50026587	12	ChEMBL_489543 (CHEMBL986466)	Inhibition of PKCtheta
50026587	16	ChEMBL_489548 (CHEMBL986471)	Inhibition of PKCepsilon
50026587	25	ChEMBL_489691 (CHEMBL982996)	Inhibition of LYN
50026587	20	ChEMBL_489689 (CHEMBL982994)	Inhibition of HCK
50026587	21	ChEMBL_489670 (CHEMBL982974)	Inhibition of PKCzeta
50026587	6	ChEMBL_489686 (CHEMBL982991)	Inhibition of ITK
50026587	1	ChEMBL_489679 (CHEMBL982983)	Inhibition of VEGFR2
50026587	22	ChEMBL_489671 (CHEMBL982975)	Inhibition of RSK1
50026587	9	ChEMBL_489681 (CHEMBL982985)	Inhibition of P38alpha
50026587	2	ChEMBL_489678 (CHEMBL982982)	Inhibition of MK2
50026587	26	ChEMBL_489673 (CHEMBL982977)	Inhibition of CDK1/cyclinB
50026587	11	ChEMBL_489680 (CHEMBL982984)	Inhibition of ERK2
50026587	3	ChEMBL_489677 (CHEMBL982981)	Inhibition of CK1gamma1
50026587	13	ChEMBL_489544 (CHEMBL986467)	Inhibition of PKCdelta
50026589	1	ChEMBL_489710 (CHEMBL986485)	Inhibition of xanthine oxidase
50026593	1	ChEMBL_489724 (CHEMBL986499)	Inhibition of c-Src by ELISA
50026593	2	ChEMBL_489725 (CHEMBL986500)	Inhibition of c-Met by ELISA
50026593	3	ChEMBL_489726 (CHEMBL986501)	Inhibition of FGFR1 by ELISA
50026593	4	ChEMBL_489727 (CHEMBL986502)	Inhibition of ErbB2 by ELISA
50026593	8	ChEMBL_489728 (CHEMBL986503)	Inhibition of KDR by ELISA
50026593	9	ChEMBL_489729 (CHEMBL986504)	Inhibition of Flt1 by ELISA
50026593	7	ChEMBL_489730 (CHEMBL986505)	Inhibition of EGFR by ELISA
50026593	6	ChEMBL_489732 (CHEMBL986509)	Inhibition of cKit by ELISA
50026593	5	ChEMBL_489733 (CHEMBL986510)	Inhibition of EphB2 by ELISA
50026599	1	ChEMBL_490133 (CHEMBL994438)	Agonist activity against human CCK1 receptor
50026599	3	ChEMBL_490136 (CHEMBL994441)	Inhibition of human CCK2 receptor
50026599	4	ChEMBL_489766 (CHEMBL989249)	Agonist activity against mouse CCK1 receptor
50026599	2	ChEMBL_490135 (CHEMBL994440)	Inhibition of human CCK1 receptor
50026601	2	ChEMBL_490152 (CHEMBL983811)	Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl}methyl)amino]carbonyl}benzoic acid from human GST-tagged p38alpha by fluorescence polarisation assay
50026601	1	ChEMBL_490153 (CHEMBL983812)	Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl}methyl)amino]carbonyl}benzoic acid from human GST-tagged p38beta by fluorescence polarisation assay
50026601	3	ChEMBL_490163 (CHEMBL983822)	Inhibition of human recombinant CYP1A2 transfected in Escherichia coli co-expressed with human NADPH reductase
50026601	6	ChEMBL_490164 (CHEMBL983823)	Inhibition of human recombinant CYP2C19 transfected in Escherichia coli co-expressed with human NADPH reductase
50026601	5	ChEMBL_490165 (CHEMBL983824)	Inhibition of human recombinant CYP2D6 transfected in Escherichia coli co-expressed with human NADPH reductase
50026601	8	ChEMBL_490166 (CHEMBL983825)	Inhibition of human recombinant CYP3A4 transfected in Escherichia coli co-expressed with human NADPH reductase
50026601	7	ChEMBL_490167 (CHEMBL983826)	Inhibition of human recombinant CYP2C9 transfected in Escherichia coli co-expressed with human NADPH reductase
50026601	4	ChEMBL_490178 (CHEMBL983837)	Inhibition of human recombinant His-tagged p38alpha-mediated ATF2 phosphorylation by TR-FRET assay
50026602	1	ChEMBL_490179 (CHEMBL983838)	Inhibition of Enterococcus faecalis MurI
50026607	1	ChEMBL_490603 (CHEMBL984724)	Inhibition of CDK2/Cyclin E
50026607	2	ChEMBL_490606 (CHEMBL984727)	Inhibition of human ERG
50026609	1	ChEMBL_564957 (CHEMBL957492)	Inhibition of Plasmodium falciparum dUTPase
50026612	1	ChEMBL_490663 (CHEMBL988266)	Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect on foam cell formation
50026612	2	ChEMBL_490669 (CHEMBL988272)	Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL after differentiation assessed as effect on foam cell formation
50026616	1	ChEMBL_489980 (CHEMBL983795)	Inhibition of Bacillus anthracis edema factor-induced cAMP secretion in mouse RAW264.7 cells after 4 hrs by ELISA
50026616	2	ChEMBL_489981 (CHEMBL983796)	Inhibition of Bacillus anthracis edema factor-induced cytotoxicity in mouse RAW264.7 cells assessed as LDH release after 4 hrs
50026618	1	ChEMBL_489983 (CHEMBL983798)	Inhibition of Abl kinase by cell free assay
50026621	1	ChEMBL_490420 (CHEMBL985553)	Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells by SPA
50026621	4	ChEMBL_490416 (CHEMBL985549)	Inhibition of CYP2D6
50026621	7	ChEMBL_490845 (CHEMBL993584)	Inhibition of CYP3A4
50026621	6	ChEMBL_490412 (CHEMBL985545)	Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells
50026621	5	ChEMBL_490413 (CHEMBL985546)	Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells
50026621	2	ChEMBL_490415 (CHEMBL985548)	Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells
50026621	8	ChEMBL_490863 (CHEMBL993602)	Inhibition of muscarinic M3 receptor
50026621	15	ChEMBL_490865 (CHEMBL993604)	Activity at 5HT2A receptor
50026621	14	ChEMBL_490866 (CHEMBL989142)	Activity at 5HT2B receptor
50026621	13	ChEMBL_490867 (CHEMBL989143)	Activity at 5HT2C receptor
50026621	3	ChEMBL_490424 (CHEMBL985557)	Inhibition of CYP1A2
50026621	9	ChEMBL_490844 (CHEMBL993583)	Inhibition of CYP2C9
50026621	11	ChEMBL_490851 (CHEMBL993590)	Displacement of [3H]dofetilide from human ERG channel
50026621	12	ChEMBL_490419 (CHEMBL985552)	Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA
50026621	10	ChEMBL_490418 (CHEMBL985551)	Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA
50026623	1	ChEMBL_490878 (CHEMBL989154)	Inhibition of BMP4-induced phosphorylation of SMAD 1/5/8 by cytoblot cellular ELISA
50046659	1	ChEMBL_1519498 (CHEMBL3625684)	Inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by glucose oxidase method
50046659	2	ChEMBL_1519497 (CHEMBL3625683)	Inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by glucose oxidase method
50046659	3	ChEMBL_1519500 (CHEMBL3625686)	Competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot analysis
50046659	4	ChEMBL_1519501 (CHEMBL3625687)	Non-competitive inhibition of rat intestinal Maltase using maltose as substrate assessed as glucose release after 10 mins by Lineweaver-Burk plot analysis
50046659	5	ChEMBL_1519502 (CHEMBL3625688)	Competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot analysis
50046659	6	ChEMBL_1519503 (CHEMBL3625689)	Non-competitive inhibition of rat intestinal Sucrase using sucrose as substrate assessed as glucose release after 40 mins by Lineweaver-Burk plot analysis
50046660	1	ChEMBL_1519998 (CHEMBL3625109)	Inhibition of APMA-activated human recombinant MMP2 incubated for 5 mins using 4-nitrophenylacetate substrate by esterase assay
50026627	4	ChEMBL_490901 (CHEMBL989177)	Inhibition of PI3Kdelta
50026627	1	ChEMBL_490902 (CHEMBL989178)	Inhibition of PI3Kgamma
50026627	6	ChEMBL_490899 (CHEMBL989175)	Inhibition of PI3Kalpha
50026627	5	ChEMBL_490900 (CHEMBL989176)	Inhibition of PI3Kbeta
50026627	2	ChEMBL_490903 (CHEMBL989179)	Inhibition of PI3K-mediated AKT Ser473 phosphorylation in PTEN negative human PC3 cells
50026627	3	ChEMBL_490905 (CHEMBL989181)	Inhibition of PI3K-mediated AKT Ser473 phosphorylation in PTEN negative human MCF7 cells
50026628	1	ChEMBL_490917 (CHEMBL989193)	Inhibition of LuxR-dependent Vibrio fischeri quorum sensing assessed as reduction in 3-oxo-hexanoyihomoserine-induced bioluminescence
50026629	1	ChEMBL_490925 (CHEMBL990018)	Inhibition of CYP3A4
50026631	3	ChEMBL_513516 (CHEMBL978138)	Antagonist activity at T type calcium channel alpha1G expressed in HEK293 cells assessed as inhibition of peak currents by whole-cell patch-clamp method
50026631	2	ChEMBL_513517 (CHEMBL978139)	Antagonist activity at T type calcium channel alpha1G expressed in HEK293 cells assessed as inhibition of peak currents at 1 uM by whole-cell patch-clamp method
50026631	1	ChEMBL_513518 (CHEMBL978140)	Inhibition of human ERG channel
50026632	5	ChEMBL_513533 (CHEMBL979029)	Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells by scintillation counting
50026632	6	ChEMBL_513538 (CHEMBL979034)	Inhibition of CYP2D6
50026632	1	ChEMBL_513541 (CHEMBL979037)	Inhibition of human ERG potassium channel
50026632	4	ChEMBL_513545 (CHEMBL979041)	Inhibition of CYP3A4
50026632	3	ChEMBL_513532 (CHEMBL979028)	Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells by scintillation counting
50026632	2	ChEMBL_513531 (CHEMBL978153)	Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting
50026634	1	ChEMBL_513557 (CHEMBL979053)	Agonist activity at PPARalpha expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assay relative to control
50026634	2	ChEMBL_513558 (CHEMBL979054)	Agonist activity at PPARgamma expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assay relative to control
50026635	3	ChEMBL_513578 (CHEMBL967074)	Inhibition of CDK2
50026635	1	ChEMBL_513579 (CHEMBL967075)	Inhibition of CDK1/cyclinB
50026635	2	ChEMBL_513585 (CHEMBL967081)	Inhibition of p38alpha MAPK
50046660	2	ChEMBL_1519999 (CHEMBL3625110)	Inhibition of APMA-activated human recombinant MMP9 incubated for 5 mins using 4-nitrophenylacetate substrate by esterase assay
50046661	1	ChEMBL_1520016 (CHEMBL3625239)	Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive radioligand binding assay
50046661	2	ChEMBL_1520017 (CHEMBL3625240)	Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing Galphaq-RlucII(121)/Gbeta1/GFP10-Ggamma1 assessed as Galpha-q stimulation incubated for 15 mins by BRET assay
50046661	3	ChEMBL_1520148 (CHEMBL3625720)	Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitment incubated for 15 mins by BRET assay
50046661	4	ChEMBL_1520149 (CHEMBL3625721)	Agonist activity at human NTS1 in Sprague-Dawley rat ileum assessed as inhibition of carbachol-induced contraction
50046661	5	ChEMBL_1520015 (CHEMBL3625238)	Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive radioligand binding assay
50046662	1	ChEMBL_1520195 (CHEMBL3625904)	Inhibition of JAK1 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	2	ChEMBL_1520196 (CHEMBL3625905)	Inhibition of JAK2 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	3	ChEMBL_1520197 (CHEMBL3625906)	Inhibition of JAK3 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	4	ChEMBL_1520198 (CHEMBL3625907)	Inhibition of Tyk2 (unknown origin) using 1 mM of ATP and Tyr3 peptide by Z'-LYTE kinase assay
50046662	5	ChEMBL_1520188 (CHEMBL3625897)	Inhibition of JAK1 (unknown origin) using 87 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	6	ChEMBL_1520183 (CHEMBL3625892)	Inhibition of Tyk2 (unknown origin)
50046662	7	ChEMBL_1520182 (CHEMBL3625891)	Inhibition of JAK3 (unknown origin)
50046662	8	ChEMBL_1520181 (CHEMBL3625890)	Inhibition of JAK2 (unknown origin)
50046662	9	ChEMBL_1520180 (CHEMBL3625889)	Inhibition of JAK1 (unknown origin)
50046662	10	ChEMBL_1520189 (CHEMBL3625898)	Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	11	ChEMBL_1520190 (CHEMBL3625899)	Inhibition of JAK3 (unknown origin) using 16 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay
50046662	12	ChEMBL_1520191 (CHEMBL3625900)	Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay
50046663	1	ChEMBL_1520354 (CHEMBL3624092)	Agonist activity at human TLR8 transfected in HEK293 cells assessed as activation of NF-kB by reporter gene assay
50046664	1	ChEMBL_1520363 (CHEMBL3624101)	Inhibition of LIMK1 in human ZR75-1 cells assessed as inhibition of cofilin phosphorylation after 5 hrs
50046664	2	ChEMBL_1520364 (CHEMBL3624102)	Inhibition of human N-terminal GST-tagged LIMK2
50046664	3	ChEMBL_1520362 (CHEMBL3624100)	Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate
50026641	1	ChEMBL_514254 (CHEMBL975501)	Inhibition of human placental 17beta-HSD2 assessed as conversion of [3H]17beta-estradiol to [3H]estrone
50026642	1	ChEMBL_514274 (CHEMBL979104)	Inhibition of human recombinant DNA ligase 1 using nicked DNA substrate by kinetic assay
50026642	2	ChEMBL_514273 (CHEMBL979103)	Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay
50026643	1	ChEMBL_514275 (CHEMBL979105)	Inhibition of PI3K by fluorescence energy transfer assay
50046665	1	ChEMBL_1520386 (CHEMBL3624249)	Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM Tris buffer by SPR analysis
50046665	2	ChEMBL_1520387 (CHEMBL3624250)	Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 50 mM NaPO4 buffer by SPR analysis
50046665	3	ChEMBL_1520388 (CHEMBL3624251)	Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 350 mM NaPO4 buffer by SPR analysis
50046665	4	ChEMBL_1520389 (CHEMBL3624252)	Binding affinity to GST-tagged Grb7-SH2 domain (415 to 532 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM Tris/1 mM NaPO4 buffer by SPR analysis
50046665	5	ChEMBL_1520494 (CHEMBL3624733)	Binding affinity to GST-tagged Grb2-SH2 domain (58 to 160 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM Tris/1 mM NaPO4 buffer by SPR analysis
50046665	6	ChEMBL_1520495 (CHEMBL3624734)	Binding affinity to GST-tagged Grb10-SH2 domain (471 to 594 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using 20 mM Tris/1 mM NaPO4 buffer by SPR analysis
50046665	7	ChEMBL_1520499 (CHEMBL3624738)	Binding affinity to Grb7-SH2 domain (unknown origin) using 100 mM phosphate buffer by SPR analysis
50046665	8	ChEMBL_1520498 (CHEMBL3624737)	Binding affinity to Grb7-SH2 domain (unknown origin) without using phosphate buffer by SPR analysis
50046666	1	ChEMBL_1520673 (CHEMBL3625454)	Inhibition of fatty acid synthase KE domain (unknown origin)
50046666	2	ChEMBL_1520676 (CHEMBL3625457)	Inhibition of fatty acid synthase (unknown origin)
50046666	3	ChEMBL_1520677 (CHEMBL3625458)	Inhibition of fatty acid synthase KR domain (unknown origin)
50046667	1	ChEMBL_1520702 (CHEMBL3625621)	Transactivation of VDR in human HaCaT cells after 24 hrs by luciferase reporter gene assay
50026649	1	ChEMBL_514583 (CHEMBL979961)	Inhibition of recombinant CYP3A4
50026649	2	ChEMBL_514589 (CHEMBL979967)	Inhibition of CYP1A2
50026649	4	ChEMBL_514590 (CHEMBL979968)	Inhibition of CYP2D6
50026649	3	ChEMBL_514591 (CHEMBL979969)	Inhibition of CYP2C9
50026649	5	ChEMBL_514592 (CHEMBL979970)	Inhibition of CYP2C19
50026650	2	ChEMBL_514601 (CHEMBL979979)	Inhibition of mouse SCD1
50026650	1	ChEMBL_514608 (CHEMBL979986)	Displacement of [3H]dofetilide from human ERG channel
50026653	1	ChEMBL_509529 (CHEMBL997843)	Antagonist activity at VDR in human HL60 cells assessed as effect on 1,25-(OH)2-D3-induced cell differentiation by NBT assay
50026658	2	ChEMBL_509554 (CHEMBL997868)	Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in thymidine kinase deficient human LM cells
50026658	1	ChEMBL_509555 (CHEMBL997869)	Antagonist activity at human recombinant neuropeptide Y5 receptor expressed in CHO cells coexpressing Gqi5 assessed as inhibition of neuropeptide Y-induced increase in intracellular calcium concentration
50026658	5	ChEMBL_509556 (CHEMBL997870)	Inhibition of human neuropeptide Y1 receptor
50026658	4	ChEMBL_509557 (CHEMBL997871)	Inhibition of human neuropeptide Y2 receptor
50026658	3	ChEMBL_509558 (CHEMBL997872)	Inhibition of human neuropeptide Y4 receptor
50046667	2	ChEMBL_1520706 (CHEMBL3625625)	Transactivation of VDR in human Caco2 cells after 24 hrs by luciferase reporter gene assay
50046668	1	ChEMBL_1520712 (CHEMBL3625631)	Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation
50046668	2	ChEMBL_1520710 (CHEMBL3625629)	Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation
50046668	3	ChEMBL_1520713 (CHEMBL3625632)	Antagonist activity against integrin alpha2bbeta3 in human platelet rich plasma
50046669	1	ChEMBL_1520858 (CHEMBL3626243)	Inhibition of COX1 (unknown origin) using arachidonic acid substrate by colorimetric assay
50046669	2	ChEMBL_1520854 (CHEMBL3626239)	Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes
50046669	3	ChEMBL_1520855 (CHEMBL3626240)	Inhibition of recombinant AKR1C3 (unknown origin) using S-tetralol as substrate
50046669	4	ChEMBL_1520856 (CHEMBL3626241)	Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate
50046669	5	ChEMBL_1520859 (CHEMBL3626244)	Inhibition of COX2 (unknown origin) using arachidonic acid substrate by colorimetric assay
50046670	1	ChEMBL_1520870 (CHEMBL3626255)	Inhibition of jack bean alpha-mannosidase using 10 mM p-nitrophenyl-alpha-D-mannopyranoside as substrate
50046670	2	ChEMBL_1520869 (CHEMBL3626254)	Inhibition of bovine liver beta-galactosidase using 10 mM p-nitrophenyl-beta-D-galactopyranoside as substrate
50046671	1	ChEMBL_1520890 (CHEMBL3626390)	Inhibition of human HDAC2 after 40 mins by fluorescence analysis
50046671	2	ChEMBL_1520891 (CHEMBL3626391)	Inhibition of HDAC1 (unknown origin)
50046671	3	ChEMBL_1520892 (CHEMBL3626392)	Inhibition of HDAC6 (unknown origin)
50046672	1	ChEMBL_1520899 (CHEMBL3626399)	Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay
50026664	2	ChEMBL_557653 (CHEMBL961603)	Inhibition of rat FAAH
50026664	1	ChEMBL_557654 (CHEMBL961604)	Inhibition of KIAA1363
50026664	3	ChEMBL_557652 (CHEMBL961602)	Inhibition of TGH
50026665	1	ChEMBL_513958 (CHEMBL974599)	Antagonist activity at vasopressin V1a receptor
50026665	3	ChEMBL_513960 (CHEMBL974601)	Antagonist activity at vasopressin V2 receptor
50046673	1	ChEMBL_1521326 (CHEMBL3627015)	Inhibition of purified full-length human SYK pre-incubated for 30 mins at room temperature before Ulight-TK peptide substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50026669	1	ChEMBL_514001 (CHEMBL976316)	Inhibition of VEGFR1
50026669	4	ChEMBL_513999 (CHEMBL976314)	Inhibition of KDR by HTRF assay
50026669	3	ChEMBL_513998 (CHEMBL976313)	Inhibition of VEGFR2
50026670	18	ChEMBL_514022 (CHEMBL976337)	Agonist activity at human CB2 receptor expressed in insect Sf9 cells assessed as effect on Eu-GTP binding
50026670	14	ChEMBL_514025 (CHEMBL976340)	Agonist activity at human CB1 receptor expressed in insect Sf9 cells assessed as effect on Eu-GTP binding
50026670	13	ChEMBL_514032 (CHEMBL976347)	Agonist activity at human CB1 receptor assessed as inhibition of forskolin-induced increase in intracellular cAMP
50026670	5	ChEMBL_514034 (CHEMBL976349)	Displacement of radiolabeled dofetilide from human ERG
50026670	7	ChEMBL_514035 (CHEMBL976350)	Inhibition of sst4 receptor
50026670	9	ChEMBL_514037 (CHEMBL976352)	Inhibition of adrenergic beta-1 receptor
50026670	8	ChEMBL_514038 (CHEMBL979061)	Inhibition of dopamine D2 receptor
50026670	10	ChEMBL_514039 (CHEMBL979062)	Inhibition of 5HT1A receptor
50026670	17	ChEMBL_514040 (CHEMBL979063)	Inhibition of 5HT2B receptor
50026670	21	ChEMBL_514046 (CHEMBL979069)	Agonist activity at sst4 receptor
50026670	15	ChEMBL_514042 (CHEMBL979065)	Inhibition of NK1 receptor
50026670	16	ChEMBL_514043 (CHEMBL979066)	Inhibition of mu opioid receptor
50026670	22	ChEMBL_514044 (CHEMBL979067)	Inhibition of histamine H1 receptor
50026670	23	ChEMBL_514045 (CHEMBL979068)	Inhibition of muscarinic M1 receptor
50026670	19	ChEMBL_514048 (CHEMBL979071)	Agonist activity at adrenergic beta-1 receptor
50026670	20	ChEMBL_514049 (CHEMBL979072)	Agonist activity at dopamine D2 receptor
50026670	11	ChEMBL_514050 (CHEMBL979073)	Agonist activity at 5HT1A receptor
50026670	6	ChEMBL_514051 (CHEMBL979074)	Agonist activity at 5HT2B receptor
50026670	1	ChEMBL_514296 (CHEMBL979126)	Agonist activity at NK1 receptor
50026670	2	ChEMBL_514297 (CHEMBL979127)	Agonist activity at mu opioid receptor
50026670	3	ChEMBL_514298 (CHEMBL979128)	Agonist activity at histamine H1 receptor
50026670	4	ChEMBL_514299 (CHEMBL979129)	Agonist activity at muscarinic M1 receptor
50026670	12	ChEMBL_514030 (CHEMBL976345)	Agonist activity at human CB2 receptor assessed as inhibition of forskolin-induced increase in intracellular cAMP
50026672	1	ChEMBL_514320 (CHEMBL979150)	Displacement of [3H]QNB from muscarinic M1 receptor Wistar rat cortex synaptosomal membrane
50026673	2	ChEMBL_514327 (CHEMBL967145)	Displacement of [3H]spiperone from NK1 receptor in human IM9 cells
50026673	1	ChEMBL_514340 (CHEMBL967954)	Binding affinity to human CYP2D6 using bufuralol as substrate
50026673	3	ChEMBL_514329 (CHEMBL967147)	Displacement of [3H]batrachotoxinin from rat sodium channel type 2A subunit expressed in CHO-CNa2A cells by whole cell patch clamp technique
50026675	1	ChEMBL_514356 (CHEMBL967970)	Inhibition of Helicobacter pylori MurI
50026677	1	ChEMBL_514373 (CHEMBL967987)	Inhibition of aromatase in human placental microsomes
50046673	2	ChEMBL_1521329 (CHEMBL3627018)	Inhibition of CYP3A4 (unknown origin)
50046673	3	ChEMBL_1521330 (CHEMBL3627019)	Inhibition of SYK-mediated TNFalpha production in human IgG-stimulated human THP1 cells incubated for 18 hrs by ELISA method
50046673	4	ChEMBL_1521346 (CHEMBL3627070)	Inhibition of human ERG by manual patch clamp assay
50046673	5	ChEMBL_1521331 (CHEMBL3627020)	Inhibition of purified full-length human ZAP70 pre-incubated for 30 mins at room temperature before UlighTM-PolyGT peptide substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046673	6	ChEMBL_1521332 (CHEMBL3627021)	Inhibition of human JAK2 pre-incubated for 30 mins at room temperature before substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046673	7	ChEMBL_1521333 (CHEMBL3627022)	Inhibition of JAK3 (unknown origin) pre-incubated for 30 mins at room temperature before substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046673	8	ChEMBL_1521334 (CHEMBL3627023)	Inhibition of Aurora B kinase (unknown origin) pre-incubated for 30 mins at room temperature before substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046673	9	ChEMBL_1521335 (CHEMBL3627024)	Inhibition of KDR (unknown origin) pre-incubated for 30 mins at room temperature before substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046673	10	ChEMBL_1521336 (CHEMBL3627025)	Inhibition of human RET pre-incubated for 30 mins at room temperature before substrate addition and measured 1 hr after substrate addition by cell free kinase assay
50046674	1	ChEMBL_1521646 (CHEMBL3626446)	Inhibition of recombinant human AChE after 10 mins by Ellman assay
50026681	1	ChEMBL_514663 (CHEMBL975557)	Inhibition of human recombinant MAOA
50026681	3	ChEMBL_514664 (CHEMBL975558)	Inhibition of human recombinant MAOB
50026681	2	ChEMBL_514666 (CHEMBL975560)	Inhibition of rat CAO
50026682	1	ChEMBL_514669 (CHEMBL976441)	Inhibition of HDAC1 after 17 hrs
50026682	6	ChEMBL_514670 (CHEMBL976442)	Inhibition of HDAC2 after 17 hrs
50026682	2	ChEMBL_514671 (CHEMBL976443)	Inhibition of HDAC3 after 17 hrs
50026682	3	ChEMBL_514672 (CHEMBL976444)	Inhibition of HDAC8 after 17 hrs
50026682	4	ChEMBL_514673 (CHEMBL976445)	Inhibition of HDAC6 after 17 hrs
50026682	5	ChEMBL_514674 (CHEMBL976446)	Inhibition of HDAC10 after 17 hrs
50026683	2	ChEMBL_514684 (CHEMBL976456)	Inhibition of human SIRT1 assessed as nicotinamide releasing by microplate filtration assay
50026683	1	ChEMBL_514685 (CHEMBL976457)	Inhibition of human SIRT2 assessed as nicotinamide releasing by microplate filtration assay
50046674	2	ChEMBL_1521647 (CHEMBL3626447)	Inhibition of recombinant human AChE after 60 mins by Ellman assay
50046674	3	ChEMBL_1521648 (CHEMBL3626448)	Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay
50026687	5	ChEMBL_509576 (CHEMBL1000462)	Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cortical membrane
50026687	3	ChEMBL_509574 (CHEMBL1000460)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane
50026687	6	ChEMBL_509577 (CHEMBL1000463)	Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain membrane
50026687	4	ChEMBL_509575 (CHEMBL1000461)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane
50026687	7	ChEMBL_509578 (CHEMBL1000464)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat brain membrane
50026687	8	ChEMBL_509579 (CHEMBL1000465)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Wistar rat hindlimb muscle
50026687	9	ChEMBL_509580 (CHEMBL1000466)	Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cerebral membrane
50026687	1	ChEMBL_514704 (CHEMBL976353)	Displacement of [3H]cystisine from alpha4beta2 nAChR
50026687	2	ChEMBL_509581 (CHEMBL1000467)	Binding affinity to alpha4beta2 nAChR
50026689	5	ChEMBL_509591 (CHEMBL1001352)	Inhibition of PI3K delta
50026689	1	ChEMBL_509592 (CHEMBL1001353)	Inhibition of PI3K gamma
50026689	2	ChEMBL_509593 (CHEMBL1001354)	Inhibition of PI3K alpha
50026689	3	ChEMBL_509594 (CHEMBL1001355)	Inhibition of PI3K beta
50026689	4	ChEMBL_509608 (CHEMBL1001369)	Inhibition of mTOR
50026690	1	ChEMBL_509609 (CHEMBL1001370)	Inhibition of human factor 10a
50026694	4	ChEMBL_509624 (CHEMBL1001385)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50026694	5	ChEMBL_509625 (CHEMBL1001386)	Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells
50026694	3	ChEMBL_509628 (CHEMBL1003956)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane
50026694	1	ChEMBL_509626 (CHEMBL1001387)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells
50026694	2	ChEMBL_509627 (CHEMBL1001388)	Displacement of [3H]WIN-35428 from human DAT expressed in HEK293 cells
50026695	1	ChEMBL_557657 (CHEMBL961607)	Inhibition of FAAH at pH 9
50026695	2	ChEMBL_557658 (CHEMBL961608)	Inhibition of FAAH at pH 7.5
50026698	1	ChEMBL_509645 (CHEMBL1003973)	Inhibition of firefly luciferase activity
50046674	4	ChEMBL_1521650 (CHEMBL3626450)	Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay
50046674	5	ChEMBL_1521850 (CHEMBL3626751)	Inhibition of electric eel AChE
50046675	1	ChEMBL_1521870 (CHEMBL3626816)	Competitive inhibition of SET7 (unknown origin) after 60 mins by AlphaLISA method in presence of SAM
50046675	2	ChEMBL_1521883 (CHEMBL3626829)	Inhibition of SET7 (unknown origin)
50046676	1	ChEMBL_1522077 (CHEMBL3627282)	Inhibition of trypsin (unknown origin)
50046676	2	ChEMBL_1522076 (CHEMBL3627281)	Inhibition of KLK7 (unknown origin) expressed in Pichia pastoris X33 using KHLY-pNA substrate by spectrophotometry method
50046676	3	ChEMBL_1522075 (CHEMBL3627280)	Inhibition of KLK4 (unknown origin) expressed in Sf9 cells using FVQRpNA substrate by spectrophotometry method
50046676	4	ChEMBL_1522074 (CHEMBL3627279)	Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris X33 using Ac-YRSR-pNA by spectrophotometry method
50046676	5	ChEMBL_1522073 (CHEMBL3627278)	Inhibition of KLK14 (unknown origin) expressed in Sf9 cells using Ac-YANR-pNA substrate by spectrophotometry method
50026703	2	ChEMBL_513702 (CHEMBL974552)	Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation
50026703	1	ChEMBL_513701 (CHEMBL974551)	Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation
50026704	2	ChEMBL_513703 (CHEMBL974553)	Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli
50026704	1	ChEMBL_513704 (CHEMBL974554)	Inhibition of DPP4
50026705	2	ChEMBL_513716 (CHEMBL974566)	Inhibition of [14C]glutamate uptake at human EAAT3 expressed in african green monkey COS1 cells
50026705	1	ChEMBL_513717 (CHEMBL974567)	Displacement of [3H]D-aspartate from human EAAT3 expressed in mouse C17.2 cells
50026706	2	ChEMBL_513728 (CHEMBL978159)	Inhibition of BchE
50026706	1	ChEMBL_513727 (CHEMBL978158)	Inhibition of AchE
50046676	6	ChEMBL_1522072 (CHEMBL3627232)	Inhibition of alpha-thrombin (unknown origin) using Ac-ATPRpNA substrate by spectrophotometry method
50026707	2	ChEMBL_513730 (CHEMBL978161)	Inhibition of COX2
50026709	4	ChEMBL_514093 (CHEMBL967929)	Agonist activity at rat wild type GABAA alpha-1-beta-2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method
50026709	2	ChEMBL_514099 (CHEMBL967935)	Agonist activity at rat wild type GABAA alpha-1-beta-2 receptor expressed in Xenopus laevis oocytes as inhibition of GABA-induced current at -60 mV by Two-Electrode voltage clamp method in presence of picrotoxinin
50026709	3	ChEMBL_514084 (CHEMBL979936)	Activity at rat wild type GABAA alpha-1-beta-2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method
50026709	8	ChEMBL_514405 (CHEMBL971723)	Agonist activity at rat recombinant GABAA alpha-1-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	10	ChEMBL_514406 (CHEMBL971724)	Agonist activity at rat recombinant GABAA alpha-2-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	9	ChEMBL_514407 (CHEMBL971725)	Agonist activity at rat recombinant GABAA alpha-3-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	6	ChEMBL_514408 (CHEMBL971726)	Agonist activity at rat recombinant GABAA alpha-4-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	5	ChEMBL_514409 (CHEMBL971727)	Agonist activity at rat recombinant GABAA alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	1	ChEMBL_514410 (CHEMBL971728)	Agonist activity at rat recombinant GABAA alpha-6-beta-3-gamma-2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by whole cell patch-clamp technique
50026709	7	ChEMBL_514066 (CHEMBL979089)	Displacement of [3H]Muscimol from GABAAalpha6 receptor in Sprague-Dawley rat brain cerebellum membrane
50026710	1	ChEMBL_514417 (CHEMBL971735)	Inhibition of CSF1R
50046676	7	ChEMBL_1522071 (CHEMBL3627231)	Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA substrate by spectrophotometry method
50046676	8	ChEMBL_1522070 (CHEMBL3627230)	Inhibition of beta-trypsin (unknown origin) using Bz-FVRpNA substrate by spectrophotometry method
50046676	9	ChEMBL_1522069 (CHEMBL3627229)	Inhibition of matriptase (unknown origin) using Ac-RQFRpNA substrate by spectrophotometry method
50046677	1	ChEMBL_1518962 (CHEMBL3626114)	Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldosterone after 16 hrs by HTRF assay
50046677	2	ChEMBL_1518969 (CHEMBL3626121)	Inhibition of mouse CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldosterone after 16 hrs by HTRF assay
50046677	3	ChEMBL_1518970 (CHEMBL3626122)	Inhibition of CYP3A4 (unknown origin)
50046677	4	ChEMBL_1519253 (CHEMBL3624681)	Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells
50046677	5	ChEMBL_1519254 (CHEMBL3624751)	Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells
50046677	6	ChEMBL_1518971 (CHEMBL3626123)	Inhibition of CYP2D6 (unknown origin)
50046677	7	ChEMBL_1518972 (CHEMBL3626124)	Inhibition of CYP2C9 (unknown origin)
50046678	1	ChEMBL_1519264 (CHEMBL3624761)	Antagonist activity at progesterone receptor in human MCF cells assessed as estradiol-induced receptor response
50046678	2	ChEMBL_1519263 (CHEMBL3624760)	Agonist activity at progesterone receptor in human MCF7 cells
50046678	3	ChEMBL_1519262 (CHEMBL3624759)	Antagonist activity at ERalpha receptor in human MCF7 cells
50046678	4	ChEMBL_1519261 (CHEMBL3624758)	Binding affinity to ERalpha receptor (unknown origin)
50046678	5	ChEMBL_1519272 (CHEMBL3624769)	Binding affinity to androgen receptor (unknown origin)
50026714	2	ChEMBL_514766 (CHEMBL977265)	Inhibition of 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]cortisol to cortisone by SPA assay
50046678	6	ChEMBL_1519273 (CHEMBL3624770)	Binding affinity to progesterone receptor (unknown origin)
50026714	5	ChEMBL_514763 (CHEMBL977262)	Inhibition of human 11beta-HSD2
50046678	7	ChEMBL_1519274 (CHEMBL3624771)	Binding affinity to glucocorticoid receptor (unknown origin)
50046678	8	ChEMBL_1519534 (CHEMBL3625856)	Antagonist activity at ERalpha receptor in human MCF7 cells in presence of 0.25 uM tamoxifen
50046678	9	ChEMBL_1519535 (CHEMBL3625857)	Agonist activity at progesterone receptor in human MCF7 cells in presence of 0.25 uM tamoxifen
50046679	1	ChEMBL_1519593 (CHEMBL3626029)	Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis
50026716	2	ChEMBL_500342 (CHEMBL973434)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH
50026716	1	ChEMBL_500343 (CHEMBL973435)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH
50026718	1	ChEMBL_509683 (CHEMBL1007321)	Inhibition of human ErbB2
50026718	3	ChEMBL_509684 (CHEMBL1007322)	Inhibition of human EGFR expressed in SF9 cells
50026718	2	ChEMBL_509685 (CHEMBL1007323)	Inhibition of human ErB2 phosphorylation in human SKBR3 cells
50026723	1	ChEMBL_509725 (CHEMBL1007363)	Binding affinity to human SSTR2A
50026732	2	ChEMBL_514122 (CHEMBL968868)	Binding affinity to beta-1 adrenergic receptor
50026742	1	ChEMBL_514503 (CHEMBL973545)	Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells
50026742	2	ChEMBL_514504 (CHEMBL973546)	Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells
50026744	2	ChEMBL_514509 (CHEMBL973551)	Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane
50026744	1	ChEMBL_514514 (CHEMBL973556)	Displacement of [3H]clonidine from Imidazoline receptor 1 rat PC-12 cells
50046680	1	ChEMBL_1519315 (CHEMBL3624906)	Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay
50046680	2	ChEMBL_1519318 (CHEMBL3624909)	Displacement of iFit-FL from FKBP51 (unknown origin) by fluorescence polarization assay
50046680	3	ChEMBL_1519317 (CHEMBL3624908)	Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay
50046680	4	ChEMBL_1519316 (CHEMBL3624907)	Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay
50046681	1	ChEMBL_1519321 (CHEMBL3624912)	Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50026746	1	ChEMBL_514811 (CHEMBL976420)	Antagonist activity at rat TRPV1 receptor assessed as inhibition of low pH-induced activation
50046681	2	ChEMBL_1519322 (CHEMBL3624913)	Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50026750	3	ChEMBL_514884 (CHEMBL972692)	Agonist activity at PPARalpha transfected in HEK293 cells by GAL4 transactivation assay
50026750	2	ChEMBL_514885 (CHEMBL972693)	Agonist activity at PPARdelta transfected in HEK293 cells by GAL4 transactivation assay
50026750	1	ChEMBL_514886 (CHEMBL972694)	Agonist activity at PPARgamma transfected in HEK293 cells by GAL4 transactivation assay
50026752	2	ChEMBL_509755 (CHEMBL997024)	Inhibition of recombinant CYP3A4
50026752	1	ChEMBL_509756 (CHEMBL997025)	Inhibition of recombinant CYP2D6
50046681	3	ChEMBL_1519320 (CHEMBL3624911)	Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50046681	4	ChEMBL_1519319 (CHEMBL3624910)	Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50046682	1	ChEMBL_1519335 (CHEMBL3625047)	Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay
50046682	2	ChEMBL_1519334 (CHEMBL3625046)	Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay
50026753	1	ChEMBL_509759 (CHEMBL997028)	Inhibition of human recombinant cathepsin S by fluorometric assay
50026753	3	ChEMBL_509761 (CHEMBL997030)	Inhibition of human recombinant cathepsin L by fluorometric assay
50026753	2	ChEMBL_509760 (CHEMBL997029)	Inhibition of human recombinant cathepsin K by fluorometric assay
50026755	1	ChEMBL_509818 (CHEMBL1000499)	Inhibition of AchE in rat cortex by Ellman's method
50026755	2	ChEMBL_509819 (CHEMBL1000500)	Inhibition of BuchE in rat serum by Ellman's method
50026756	5	ChEMBL_509823 (CHEMBL1000504)	Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells
50026756	7	ChEMBL_510084 (CHEMBL998738)	Antagonist activity at human CGRP receptor in SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50026756	9	ChEMBL_509876 (CHEMBL998721)	Inhibition of CYP2D6-mediated metabolism of dextromethorphan in human liver microsomes
50026756	12	ChEMBL_509829 (CHEMBL1000510)	Inhibition of human recombinant CYP1A2 expressed in insect microsomes
50026756	3	ChEMBL_509831 (CHEMBL1000512)	Inhibition of human recombinant CYP2C9 expressed in insect microsomes
50026756	6	ChEMBL_509830 (CHEMBL1000511)	Inhibition of human recombinant CYP2C19 expressed in insect microsomes
50026756	11	ChEMBL_509825 (CHEMBL1000506)	Inhibition of recombinant CYP3A4 expressed in insect microsomes after 20 mins in presence of BFC substrate
50026756	10	ChEMBL_509828 (CHEMBL1000509)	Displacement of [I125]CGRP from rat CGRP receptor
50026756	4	ChEMBL_509836 (CHEMBL1000517)	Displacement of [125I]calcitonin from calcitonin receptor in human T47D cells
50026758	1	ChEMBL_509887 (CHEMBL998732)	Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by luciferase reporter assay
50026759	2	ChEMBL_509903 (CHEMBL1002173)	Agonist activity against human GPR109a assessed as forskolin-induced cAMP accumulation
50026759	6	ChEMBL_509905 (CHEMBL1002175)	Agonist activity against mouse GPR109a assessed as forskolin-induced cAMP accumulation
50026759	4	ChEMBL_509908 (CHEMBL1002178)	Agonist activity against human GPR109a assessed as GTPgammaS binding
50026759	1	ChEMBL_509910 (CHEMBL1002180)	Agonist activity against mouse GPR109a assessed as GTPgammaS binding
50026759	3	ChEMBL_509912 (CHEMBL1002182)	Agonist activity against rat GPR109a assessed as GTPgammaS binding
50026759	5	ChEMBL_509907 (CHEMBL1002177)	Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells
50026762	1	ChEMBL_509964 (CHEMBL1005557)	Inhibition of human recombinant MAOA
50026762	2	ChEMBL_509965 (CHEMBL1005558)	Inhibition of human recombinant MAOB
50046682	3	ChEMBL_1519336 (CHEMBL3625048)	Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay
50046682	4	ChEMBL_1519337 (CHEMBL3625049)	Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay
50026764	1	ChEMBL_510004 (CHEMBL1005597)	Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol
50026770	3	ChEMBL_510032 (CHEMBL995175)	Inhibition of human factor 10a by Dixon-plot method
50026770	1	ChEMBL_510029 (CHEMBL995172)	Inhibition of factor 10a in human plasma
50026770	4	ChEMBL_510031 (CHEMBL995174)	Inhibition of human thrombin by Dixon-plot method
50026770	2	ChEMBL_510041 (CHEMBL995184)	Inhibition of human thrombin
50026773	2	ChEMBL_510056 (CHEMBL995199)	Inhibition of dopamine uptake at human DAT expressed in HEK cells
50026773	3	ChEMBL_510054 (CHEMBL995197)	Inhibition of norepinephrine uptake at human NET expressed in HEK cells
50026773	1	ChEMBL_510055 (CHEMBL995198)	Inhibition of serotonin uptake at human SERT expressed in HEK cells
50026774	2	ChEMBL_510058 (CHEMBL995201)	Displacement of [125I]Pro-N-Et-GnRH from human cloned GnRH receptor expressed in HEK cells
50026774	4	ChEMBL_510060 (CHEMBL995203)	Inhibition of recombinant CYP3A4 by microtiter plate-based fluorimetric assay
50026774	1	ChEMBL_510057 (CHEMBL995200)	Displacement of [125I]tyr5,D-Leu6,NMeLeu7-GnRH from human cloned GnRH receptor expressed in RBL cells
50026774	3	ChEMBL_510059 (CHEMBL995202)	Antagonist activity at human GnRH receptor expressed in RBL cells assessed as inhibition of GnRH-stimulated [3H]inositol phosphate hydrolysis by whole cell assay
50026776	4	ChEMBL_540158 (CHEMBL1026506)	Inhibition of EGFR
50026776	1	ChEMBL_540159 (CHEMBL1026507)	Inhibition of HER2
50026776	12	ChEMBL_540160 (CHEMBL1026508)	Inhibition of HER4
50026776	13	ChEMBL_540161 (CHEMBL1026509)	Inhibition of JAK3
50026776	7	ChEMBL_540162 (CHEMBL1026510)	Inhibition of Blk
50026776	8	ChEMBL_540163 (CHEMBL1026511)	Inhibition of Lkb1
50026776	9	ChEMBL_540164 (CHEMBL1026512)	Inhibition of Bmx
50026776	11	ChEMBL_540165 (CHEMBL1026513)	Inhibition of Btk
50026776	6	ChEMBL_540166 (CHEMBL1026514)	Inhibition of Itk
50026776	5	ChEMBL_540167 (CHEMBL1026515)	Inhibition of JAK3 expressed in mouse BAF3 cells assessed as cytotoxicity
50026776	3	ChEMBL_540168 (CHEMBL1026516)	Inhibition of Blk expressed in mouse BAF3 cells assessed as cytotoxicity
50026776	2	ChEMBL_540169 (CHEMBL1026517)	Inhibition of Bmx expressed in mouse BAF3 cells assessed as cytotoxicity
50026776	10	ChEMBL_540434 (CHEMBL1029051)	Inhibition of wild type Bmx expressed in mouse BAF3 cells assessed as cytotoxicity
50026777	1	ChEMBL_510080 (CHEMBL997885)	Inhibition of COX2 in human whole blood
50046683	1	ChEMBL_1519344 (CHEMBL3625056)	Inhibition of squalene synthase in rat liver microsomes assessed as reduction in conversion of [3H]farnesyl pyrophosphate to squalene incubated for 30 mins by liquid scintillation counting
50026781	3	ChEMBL_521103 (CHEMBL960364)	Inhibition of human recombinant HDAC1
50026781	4	ChEMBL_521104 (CHEMBL960365)	Inhibition of human recombinant HDAC2
50026781	5	ChEMBL_521105 (CHEMBL960366)	Inhibition of human recombinant HDAC3
50026781	6	ChEMBL_521106 (CHEMBL960367)	Inhibition of human recombinant HDAC4
50026781	8	ChEMBL_521108 (CHEMBL960369)	Inhibition of human recombinant HDAC6
50026781	9	ChEMBL_521109 (CHEMBL960370)	Inhibition of human recombinant HDAC7
50026781	2	ChEMBL_521110 (CHEMBL960371)	Inhibition of human recombinant HDAC8
50026781	1	ChEMBL_521111 (CHEMBL960372)	Inhibition of human recombinant HDAC9
50046684	1	ChEMBL_1519597 (CHEMBL3626033)	Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative to control
50046684	2	ChEMBL_1519596 (CHEMBL3626032)	Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay
50046685	1	ChEMBL_1519628 (CHEMBL3626166)	Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cultured with TM3 cells harboring luciferase reporter gene assessed as reduction in Wnt ligand-driven LEF/TCF-dependent transcriptional activity
50046685	2	ChEMBL_1519642 (CHEMBL3626180)	Inhibition of porcupine (unknown origin)
50046686	1	ChEMBL_1522740 (CHEMBL3630081)	Inhibition of human recombinant topoisomerase 2 alpha assessed as blocking of supercoiled pHOT DNA relaxation incubated for 45 mins at 37 degC by ethidium bromide staining based agarose gel electrophoresis
50046686	2	ChEMBL_1522739 (CHEMBL3630080)	Inhibition of human recombinant topoisomerase 1 assessed as blocking of supercoiled pHOT DNA relaxation incubated for 25 mins at 37 degC by ethidium bromide staining based agarose gel electrophoresis
50046687	1	ChEMBL_1522933 (CHEMBL3630965)	Inhibition of SphK1 (unknown origin)
50046687	2	ChEMBL_1522932 (CHEMBL3630964)	Inhibition of SphK2 (unknown origin)
50046688	3	ChEMBL_1522943 (CHEMBL3630975)	Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
50046688	1	ChEMBL_1522943 (CHEMBL3630975)	Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
50046688	2	ChEMBL_1522943 (CHEMBL3630975)	Displacement of [125I]-SDF-1 from CXCR4 (unknown origin)
50046689	1	ChEMBL_1522951 (CHEMBL3630983)	Inhibition of human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate
50046689	8	ChEMBL_1522951 (CHEMBL3630983)	Inhibition of human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrate
50046689	4	ChEMBL_1522950 (CHEMBL3630982)	Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate
50046689	12	ChEMBL_1522957 (CHEMBL3630989)	Inhibition of CYP3A4 (unknown origin)
50046689	9	ChEMBL_1522958 (CHEMBL3630990)	Inhibition of CYP2D6 (unknown origin)
50046689	10	ChEMBL_1522959 (CHEMBL3630991)	Inhibition of CYP2C9 (unknown origin)
50046689	14	ChEMBL_1522950 (CHEMBL3630982)	Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrate
50046689	11	ChEMBL_1522961 (CHEMBL3631137)	Inhibition of human ERG
50046689	13	ChEMBL_1522960 (CHEMBL3630992)	Inhibition of CYP2C8 (unknown origin)
50046690	1	ChEMBL_1523088 (CHEMBL3631665)	Non-competitive inhibition of recombinant human TG2 V224 mutant deamidation activity using Cbz-Gln-Gly as substrate preincubated for 30 mins followed by substrate addition by GDH-coupled assay in presence of 5 mM Ca2+
50046690	2	ChEMBL_1523085 (CHEMBL3631662)	Competitive inhibition of recombinant human TG2 V224 mutant deamidation activity using Cbz-Gln-Gly as substrate preincubated for 30 mins followed by substrate addition by Lineweaver-Burk plot analysis in presence of 5 mM Ca2+
50046691	1	ChEMBL_1523240 (CHEMBL3632375)	Inhibition of PDE10A (unknown origin)
50026787	1	ChEMBL_510106 (CHEMBL998760)	Inhibition of human prostatic acid phosphatase
50026789	1	ChEMBL_510112 (CHEMBL998766)	Inhibition of CDC7-DBF4
50026793	1	ChEMBL_510153 (CHEMBL1002226)	Inhibition of human CYP11B2 expressed in hamster V79 MZh cells
50026793	3	ChEMBL_510155 (CHEMBL1002228)	Inhibition of human CYP11B1 expressed in hamster V79 MZh cells
50026793	2	ChEMBL_510160 (CHEMBL1002233)	Inhibition of human recombinant CYP1A2 expressed in insect microsomes
50026793	9	ChEMBL_510161 (CHEMBL1002234)	Inhibition of human recombinant CYP2B6 expressed in insect microsomes
50026793	10	ChEMBL_510162 (CHEMBL1002235)	Inhibition of human recombinant CYP2C9 expressed in insect microsomes
50026793	7	ChEMBL_510163 (CHEMBL1002236)	Inhibition of human recombinant CYP2C19 expressed in insect microsomes
50026793	8	ChEMBL_510164 (CHEMBL1002237)	Inhibition of human recombinant CYP2D6 expressed in insect microsomes
50026793	6	ChEMBL_510165 (CHEMBL1002238)	Inhibition of human recombinant CYP3A4 expressed in insect microsomes
50026793	5	ChEMBL_510177 (CHEMBL1002250)	Inhibition of human placental CYP19
50026797	1	ChEMBL_510208 (CHEMBL1004824)	Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay
50026799	1	ChEMBL_510221 (CHEMBL1004837)	Inhibition of guinea pig lung leukotriene A4 hydrolase
50026799	2	ChEMBL_510222 (CHEMBL1004838)	Inhibition of ACE
50026799	3	ChEMBL_510224 (CHEMBL1005602)	Inhibition of human recombinant leukotriene A4 hydrolase
50026800	3	ChEMBL_510225 (CHEMBL1005603)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane
50026800	1	ChEMBL_510227 (CHEMBL1005605)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane
50046692	1	ChEMBL_1523259 (CHEMBL3629966)	Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by fluorescence polarisation assay
50026801	2	ChEMBL_510232 (CHEMBL1005610)	Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells
50026801	1	ChEMBL_510231 (CHEMBL1005609)	Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique
50026802	4	ChEMBL_510234 (CHEMBL1005612)	Inhibition of human factor 7a-tissue factor complex
50026802	2	ChEMBL_510235 (CHEMBL1005613)	Inhibition of human thrombin
50026802	3	ChEMBL_510236 (CHEMBL1005614)	Inhibition of human factor 10a
50026802	5	ChEMBL_510238 (CHEMBL1005616)	Inhibition of human factor 9a
50026802	1	ChEMBL_510239 (CHEMBL1005617)	Inhibition of human factor 11a
50046692	2	ChEMBL_1523258 (CHEMBL3629965)	Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by fluorescence polarisation assay
50026803	1	ChEMBL_510243 (CHEMBL1005621)	Antagonist activity at dopamine D2 receptor
50046693	1	ChEMBL_1523287 (CHEMBL3629994)	Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay
50046693	2	ChEMBL_1523285 (CHEMBL3629992)	Inhibition of CYP3A4 (unknown origin)
50046694	1	ChEMBL_1523460 (CHEMBL3630804)	Inhibition of IDO1 (unknown origin)
50046694	2	ChEMBL_1523459 (CHEMBL3630803)	Inhibition of human IDO1
50046694	3	ChEMBL_1523461 (CHEMBL3630805)	Inhibition of TDO (unknown origin)
50046694	4	ChEMBL_1523462 (CHEMBL3630806)	Inhibition of human IDO2
50046694	5	ChEMBL_1523463 (CHEMBL3630807)	Inhibition of human TDO
50046694	6	ChEMBL_1523464 (CHEMBL3630808)	Inhibition of mouse TDO
50046694	7	ChEMBL_1523465 (CHEMBL3630809)	Inhibition of mouse IDO1
50046694	8	ChEMBL_1523466 (CHEMBL3630810)	Inhibition of human KMO
50046694	9	ChEMBL_1523467 (CHEMBL3630811)	Inhibition of yeast KMO
50046694	10	ChEMBL_1523468 (CHEMBL3630812)	Inhibition of rat KAT-2
50046695	1	ChEMBL_1523603 (CHEMBL3631402)	Inhibition of Xct in human CCF-STTG1 cells assessed as glutamate release after 2 hrs by fluorometry
50026806	1	ChEMBL_510286 (CHEMBL1008199)	Inhibition of CYP17
50026806	2	ChEMBL_510500 (CHEMBL1006441)	Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase
50026808	1	ChEMBL_510288 (CHEMBL1008201)	Inhibition of human factor 10a
50026811	2	ChEMBL_510307 (CHEMBL995226)	Inhibition of recombinant Flt1 expressed in baculovirus-Sf21 system
50026811	3	ChEMBL_510308 (CHEMBL995227)	Inhibition of recombinant KDR expressed in baculovirus-Sf21 system
50026811	4	ChEMBL_510303 (CHEMBL995222)	Inhibition of human Tie2 autophosphorylation expressed in CHOK1 cells by ELISA
50026811	5	ChEMBL_510315 (CHEMBL997894)	Inhibition of human recombinant Tie2
50026811	1	ChEMBL_510306 (CHEMBL995225)	Inhibition of recombinant Tie2 expressed in baculovirus-Sf21 system
50026818	4	ChEMBL_512831 (CHEMBL971642)	Inhibition of EGFR
50026818	3	ChEMBL_512832 (CHEMBL971643)	Inhibition of HER2
50026818	5	ChEMBL_512833 (CHEMBL971644)	Inhibition of Aurora A
50026818	1	ChEMBL_512836 (CHEMBL972549)	Inhibition of CDK1
50026818	2	ChEMBL_512837 (CHEMBL972550)	Inhibition of VEGFR2
50046696	1	ChEMBL_1523605 (CHEMBL3631404)	Inhibition of PARP-10 L926G mutant (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate
50046696	2	ChEMBL_1523606 (CHEMBL3631405)	Inhibition of PARP-10 (unknown origin) mediated ADP-ribosylation of SRPK2 by fluorescence analysis using 3 uM SRPK2 as a substrate
50046696	3	ChEMBL_1523607 (CHEMBL3631406)	Inhibition of PARP1 (unknown origin) by fluorescence analysis
50046697	1	ChEMBL_1523610 (CHEMBL3631541)	Inhibition of proteasome beta-5 (unknown origin)
50046698	1	ChEMBL_1523621 (CHEMBL3631552)	Inhibition of recombinant human Aminopeptidase N using L-Ala-beta-NA as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorometry
50046698	2	ChEMBL_1523620 (CHEMBL3631551)	Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorometry
50046699	1	ChEMBL_1523799 (CHEMBL3632250)	Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50046699	2	ChEMBL_1523801 (CHEMBL3632252)	Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50046699	3	ChEMBL_1523802 (CHEMBL3632253)	Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay in presence of 200 nM folic acid
50046699	4	ChEMBL_1523803 (CHEMBL3632254)	Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50026838	2	ChEMBL_510433 (CHEMBL1003109)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50026838	3	ChEMBL_510434 (CHEMBL1003110)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum myenteric plexus longitudinal muscle assessed as inhibition of electrically-stimulated muscle contraction
50026838	4	ChEMBL_510435 (CHEMBL1003111)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50026838	1	ChEMBL_510432 (CHEMBL1003108)	Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50046699	5	ChEMBL_1523804 (CHEMBL3632255)	Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay in presence of 200 nM folic acid
50046699	6	ChEMBL_1523805 (CHEMBL3632256)	Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay
50046699	7	ChEMBL_1523832 (CHEMBL3632393)	Inhibition of GARFTase in human KB cells expressing FRalpha/PCFT/RFC assessed as incorporation of [14C(U)]-glycine into [14C]-formyl GAR preincubated for 1 hr followed by azaserine, L-glutamine, 14C(U)]-glycine addition measured after 16 hrs
50046699	8	ChEMBL_1523833 (CHEMBL3632394)	Inhibition of human recombinant His-tagged GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,80-dideazafolic acid measured every 15 secs over 20 mins by spectrophotometric analysis
50046700	1	ChEMBL_1523962 (CHEMBL3630319)	Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in ATPase activity incubated for 100 mins by inorganic phosphate detection assay
50046701	1	ChEMBL_1523976 (CHEMBL3630448)	Inhibition of human KDR incubated for 50 mins by omnia tyr peptide 8 substrate based fluorescence assay
50046701	2	ChEMBL_1524003 (CHEMBL3630475)	Inhibition of human Src kinase by kinase inhibition assay
50046701	3	ChEMBL_1523995 (CHEMBL3630467)	Inhibition of human AurA kinase by kinase inhibition assay
50046701	4	ChEMBL_1523969 (CHEMBL3630441)	Inhibition of EGFR (unknown origin) using omnia tyr peptide 7 substrate by fluorescence assay
50046701	5	ChEMBL_1524002 (CHEMBL3630474)	Inhibition of human ROCK1 by kinase inhibition assay
50046701	6	ChEMBL_1523994 (CHEMBL3630466)	Inhibition of human Akt1 by kinase inhibition assay
50046701	7	ChEMBL_1524000 (CHEMBL3630472)	Inhibition of human PDGFRbeta by kinase inhibition assay
50046701	8	ChEMBL_1523999 (CHEMBL3630471)	Inhibition of human MEK1 by kinase inhibition assay
50046701	9	ChEMBL_1523997 (CHEMBL3630469)	Inhibition of human ERK1 by kinase inhibition assay
50046701	10	ChEMBL_1523998 (CHEMBL3630470)	Inhibition of human FAK by kinase inhibition assay
50046701	11	ChEMBL_1523996 (CHEMBL3630468)	Inhibition of human CDK1 by kinase inhibition assay
50046701	12	ChEMBL_1524001 (CHEMBL3630473)	Inhibition of human RAF1 by kinase inhibition assay
50046702	1	ChEMBL_1524004 (CHEMBL3630476)	Inhibition of human F9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay
50046702	2	ChEMBL_1524005 (CHEMBL3630477)	Inhibition of human F10a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay
50046703	1	ChEMBL_1524150 (CHEMBL3631235)	Inhibition of human glyoxalase 1
50046703	2	ChEMBL_1524149 (CHEMBL3631234)	Inhibition of bovine liver glyoxalase 2
50046703	3	ChEMBL_1524147 (CHEMBL3631232)	Inhibition of 6-His tagged recombinant human glyoxalase 1 transfected in Escherichia coli BL21 (DE3) assessed as S-D-lactoylglutathione formation by spectrophotometer
50046704	1	ChEMBL_1524156 (CHEMBL3631241)	Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis
50046704	2	ChEMBL_1524155 (CHEMBL3631240)	Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis
50026846	1	ChEMBL_510556 (CHEMBL998779)	Inhibition of acetylcholinesterase
50026846	2	ChEMBL_510557 (CHEMBL998780)	Inhibition of butyrylcholinesterase
50046704	3	ChEMBL_1524165 (CHEMBL3631250)	Inhibition of recombinant mouse 17beta HSD1 expressed in HEK293 cells using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis
50046704	4	ChEMBL_1524162 (CHEMBL3631247)	Inhibition of mouse liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis
50026848	3	ChEMBL_513117 (CHEMBL973606)	Binding affinity to MC5 receptor
50026848	4	ChEMBL_513118 (CHEMBL973607)	Antagonist activity at human MC4 receptor expressed in cells assessed as inhibition of alpha-MSH-stimulated cAMP production
50046704	5	ChEMBL_1524166 (CHEMBL3631251)	Inhibition of recombinant rat 17beta HSD1 expressed in HEK293 cells using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis
50026849	1	ChEMBL_513128 (CHEMBL973617)	Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells
50026849	2	ChEMBL_513129 (CHEMBL973618)	Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation
50026849	3	ChEMBL_513130 (CHEMBL973619)	Inhibition of human ERG expressed in CHO cells by Patch clamp assay
50026850	8	ChEMBL_513139 (CHEMBL973628)	Inhibition of recombinant KDR by HTRF assay
50026850	6	ChEMBL_513148 (CHEMBL973637)	Inhibition of Tie 2
50026850	4	ChEMBL_513149 (CHEMBL973638)	Inhibition of aurora 2 kinase
50026850	2	ChEMBL_513150 (CHEMBL973639)	Inhibition of p38alpha
50026850	3	ChEMBL_513151 (CHEMBL973640)	Inhibition of PI3K
50026850	5	ChEMBL_513152 (CHEMBL973641)	Inhibition of cMET
50026850	7	ChEMBL_513153 (CHEMBL973642)	Inhibition of JAK3
50026850	9	ChEMBL_513154 (CHEMBL973643)	Inhibition of JAK2
50026855	3	ChEMBL_513421 (CHEMBL976508)	Agonist activity at mouse CCK1 receptor
50026855	2	ChEMBL_513420 (CHEMBL976507)	Inhibition of human CCK1 receptor
50026855	1	ChEMBL_513418 (CHEMBL976505)	Agonist activity at human CCK1 receptor
50026860	1	ChEMBL_511098 (CHEMBL1000390)	Inhibition of human plasma BChE after 20 mins by Ellman's method
50046704	6	ChEMBL_1524167 (CHEMBL3631252)	Inhibition of rat liver microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysis
50046705	1	ChEMBL_1524328 (CHEMBL3632020)	Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE
50046705	2	ChEMBL_1524329 (CHEMBL3632021)	Inhibition of Stat3 dimer DNA binding activity in human U373MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE
50046706	1	ChEMBL_1524687 (CHEMBL3631081)	Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay
50046706	2	ChEMBL_1524688 (CHEMBL3631082)	Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay
50026867	7	ChEMBL_511636 (CHEMBL976283)	Inhibition of PDGFRalpha
50026867	5	ChEMBL_511637 (CHEMBL976284)	Inhibition of Kit
50026867	4	ChEMBL_511638 (CHEMBL976285)	Inhibition of Flt1
50026867	1	ChEMBL_511641 (CHEMBL976288)	Inhibition of CDK2/CyclinA
50026867	2	ChEMBL_511642 (CHEMBL976289)	Inhibition of EphA1
50026867	8	ChEMBL_511627 (CHEMBL976274)	Inhibition of human Src kinase by TR-FRET assay
50026867	6	ChEMBL_511628 (CHEMBL976275)	Inhibition of Abl kinase
50026867	3	ChEMBL_511631 (CHEMBL976278)	Inhibition of Fms
50026867	13	ChEMBL_511632 (CHEMBL976279)	Inhibition of EphB1
50026867	11	ChEMBL_511633 (CHEMBL976280)	Inhibition of c-Raf
50026867	10	ChEMBL_511634 (CHEMBL976281)	Inhibition of EphB4
50026868	4	ChEMBL_510612 (CHEMBL1002259)	Transactivation activity of tyrosine amino transferase in rat H4 cells
50026868	3	ChEMBL_510611 (CHEMBL1002258)	Inhibition of human glucocorticoid receptor
50026868	2	ChEMBL_510614 (CHEMBL1002261)	Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA
50026868	1	ChEMBL_510616 (CHEMBL1002263)	Inhibition of human progesterone receptor
50026869	1	ChEMBL_511651 (CHEMBL976298)	Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements
50026873	5	ChEMBL_511688 (CHEMBL978251)	Inhibition of human FAAH preincubated for 10 mins
50026873	6	ChEMBL_511690 (CHEMBL978253)	Inhibition of human FAAH preincubated for 40 mins
50026873	3	ChEMBL_511685 (CHEMBL978248)	Inhibition of rat FAAH preincubated for 20 mins
50026873	4	ChEMBL_511686 (CHEMBL978249)	Inhibition of human FAAH preincubated for 20 mins
50026873	1	ChEMBL_511689 (CHEMBL978252)	Inhibition of human FAAH after 60 mins
50026873	2	ChEMBL_511687 (CHEMBL978250)	Inhibition of rat FAAH preincubated for 10 mins
50026882	1	ChEMBL_512118 (CHEMBL980054)	Inhibition of CSF1R
50026883	2	ChEMBL_512149 (CHEMBL980943)	Inhibition of human liver cathepsin B
50026883	1	ChEMBL_512148 (CHEMBL980942)	Inhibition of pig erythrocyte mu-calpain
50026885	3	ChEMBL_512155 (CHEMBL980949)	Antagonist activity at human CCR4 receptor by [35S]GTPgammaS binding assay
50046706	3	ChEMBL_1524689 (CHEMBL3631083)	Inhibition of human recombinant ERK2 expressed in Escherichia coli using Omnia peptide S/T17 as substrate measured every 50 seconds for 30 mins
50046707	1	ChEMBL_1524690 (CHEMBL3631084)	Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry
50026885	2	ChEMBL_512160 (CHEMBL968019)	Displacement of [121I]CCL22 from human CCR4 receptor by scintillation proximity assay
50026888	2	ChEMBL_512174 (CHEMBL968033)	Agonist activity at GPR119 expressed in HEK293 cells assessed as cAMP level by flash plate assay
50026888	1	ChEMBL_512175 (CHEMBL968034)	Inverse agonist activity at GPR119 expressed in HEK293 cells assessed as cAMP level by flash plate assay
50026888	3	ChEMBL_512176 (CHEMBL968035)	Agonist activity at CPR119 transfected in Xenopus dermal melanophore assessed as dispersion of melatonin-induced pigmentation
50026889	1	ChEMBL_512395 (CHEMBL979906)	Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting
50026889	2	ChEMBL_512396 (CHEMBL979907)	Binding affinity to RasGRP3
50026894	29	ChEMBL_512450 (CHEMBL980791)	Binding affinity to PPARdelta
50026894	9	ChEMBL_512413 (CHEMBL980754)	Inhibition of 5-Lipoxygenase
50026894	26	ChEMBL_512410 (CHEMBL979921)	Inhibition of CYP2C9
50026894	25	ChEMBL_512411 (CHEMBL980752)	Inhibition of CYP3A4
50026894	17	ChEMBL_512442 (CHEMBL980783)	Agonist activity at human PPARgamma receptor expressed in african green monkey COS cells after 48 hrs by GAL4 transactivation assay
50026894	10	ChEMBL_512416 (CHEMBL980757)	Inhibition of EGFR
50026894	2	ChEMBL_512417 (CHEMBL980758)	Inhibition of human ERG
50026894	4	ChEMBL_512418 (CHEMBL980759)	Inhibition of prostanoid DP receptor
50026894	6	ChEMBL_512419 (CHEMBL980760)	Inhibition of prostanoid EP3 receptor
50026894	12	ChEMBL_512420 (CHEMBL980761)	Inhibition of prostanoid EP4 receptor
50026894	11	ChEMBL_512421 (CHEMBL980762)	Inhibition of prostanoid FP receptor
50026894	16	ChEMBL_512422 (CHEMBL980763)	Inhibition of prostanoid IP receptor
50026894	14	ChEMBL_512423 (CHEMBL980764)	Displacement of radioligand from adrenergic alpha2A receptor
50026894	24	ChEMBL_512425 (CHEMBL980766)	Displacement of radioligand from adrenergic beta-1 receptor
50026894	21	ChEMBL_512426 (CHEMBL980767)	Displacement of radioligand from adrenergic beta3 receptor
50026894	22	ChEMBL_512427 (CHEMBL980768)	Displacement of radioligand from NET
50026894	19	ChEMBL_512428 (CHEMBL980769)	Displacement of radioligand from dopamine D1 receptor
50026894	20	ChEMBL_512429 (CHEMBL980770)	Displacement of radioligand from dopamine D2S receptor
50026894	32	ChEMBL_512430 (CHEMBL980771)	Displacement of radioligand from dopamine D3 receptor
50026894	31	ChEMBL_512431 (CHEMBL980772)	Displacement of radioligand from DAT
50026894	30	ChEMBL_512432 (CHEMBL980773)	Displacement of radioligand from muscarinic M3 receptor
50026894	28	ChEMBL_512433 (CHEMBL980774)	Displacement of radioligand from muscarinic M4 receptor
50026894	1	ChEMBL_512435 (CHEMBL980776)	Displacement of radioligand from kappa opioid receptor
50026894	3	ChEMBL_512436 (CHEMBL980777)	Displacement of radioligand from mu opioid receptor
50026894	5	ChEMBL_512437 (CHEMBL980778)	Displacement of radioligand from 5HT2B receptor
50026894	7	ChEMBL_512438 (CHEMBL980779)	Displacement of radioligand from SERT
50026894	8	ChEMBL_512439 (CHEMBL980780)	Displacement of radioligand from tachykinin NK2 receptor
50026894	15	ChEMBL_512440 (CHEMBL980781)	Displacement of radioligand from TXA2 receptor
50026894	18	ChEMBL_512448 (CHEMBL980789)	Binding affinity to human PPARalpha
50026901	6	ChEMBL_512649 (CHEMBL969699)	Inhibition of human leukocyte elastase
50026901	1	ChEMBL_512650 (CHEMBL969700)	Inhibition of human cathepsin G
50026901	2	ChEMBL_512652 (CHEMBL969702)	Inhibition of human cathepsin L
50026901	5	ChEMBL_512653 (CHEMBL969703)	Inhibition of human ACE
50026901	3	ChEMBL_512654 (CHEMBL969704)	Inhibition of acetylcholinesterase
50026901	4	ChEMBL_512655 (CHEMBL969705)	Inhibition of cholesterol esterase
50026902	1	ChEMBL_512667 (CHEMBL969717)	Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate by fluorimetric assay
50026902	2	ChEMBL_512668 (CHEMBL969718)	Inhibition of human recombinant HDAC4 using Fluor de Lys as substrate by fluorimetric assay
50026904	1	ChEMBL_512699 (CHEMBL970632)	Inhibition of Electrophorus electricus brain AChE by Ellman's method
50026905	1	ChEMBL_512701 (CHEMBL970634)	Inhibition of recombinant GST-tagged SIRT2 by Fluor de Lys fluorescence assay
50026906	1	ChEMBL_512707 (CHEMBL970640)	Antagonist activity at delta opioid receptor in ddy mouse vas deferens assessed as inhibition of DPDPE-induced electrically-stimulated contraction
50026907	1	ChEMBL_512932 (CHEMBL974489)	Inhibition of purified recombinant histidine-HA-tagged IKK-beta expressed in SF9 cells
50026912	1	ChEMBL_512953 (CHEMBL977289)	Inhibition of human Placental beta-N-acetylglucosaminidase
50026914	3	ChEMBL_512960 (CHEMBL977296)	Antagonist activity at rabbit bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay
50026914	1	ChEMBL_512957 (CHEMBL977293)	Antagonist activity at human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay
50026914	2	ChEMBL_512956 (CHEMBL977292)	Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells
50026918	2	ChEMBL_513183 (CHEMBL977313)	Binding affinity to photoactivated rhodopsin in bovine retinal rod outer-segment membranes assessed as induction of extra receptor MII state stabilization by UV/visible difference spectroscopy
50026918	1	ChEMBL_513184 (CHEMBL977314)	Inhibition of bovine retinal rod outer-segment photoactivated rhodopsin-transducer interaction by transducer release assay
50046708	1	ChEMBL_1524691 (CHEMBL3631085)	Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay
50026919	1	ChEMBL_513189 (CHEMBL977319)	Displacement of [3H]PDBu from RasGRP3 expressed in cells
50046708	2	ChEMBL_1524692 (CHEMBL3631086)	Inhibition of recombinant human IDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay
50026921	1	ChEMBL_513211 (CHEMBL977341)	Binding affinity to human cloned GluR expressed in BHK cells
50026921	3	ChEMBL_513212 (CHEMBL977342)	Binding affinity to human cloned GIPR expressed in BHK cells
50026921	5	ChEMBL_513218 (CHEMBL977348)	Binding affinity to GlucR in rat liver membrane
50026921	2	ChEMBL_513225 (CHEMBL977355)	Binding affinity to GIPR in rat liver membrane
50026922	1	ChEMBL_513229 (CHEMBL977359)	Inhibition of human recombinant cathepsin L by fluorescence assay
50026922	4	ChEMBL_513230 (CHEMBL980012)	Inhibition of human recombinant cathepsin S by fluorescence assay
50026922	2	ChEMBL_513250 (CHEMBL980886)	Inhibition of rat recombinant cathepsin K expressed in Sf21 cells by fluorescence assay
50026924	2	ChEMBL_513437 (CHEMBL977366)	Inhibition of human SGLT2 expressed in CHO cells assessed as intracellular accumulation of [14C]alpha-methyl glucopyranoside
50026924	1	ChEMBL_513440 (CHEMBL977369)	Inhibition of human SGLT2 expressed in Xenopus oocyte assessed as [14C]alpha-methyl glucopyranoside uptake
50046708	3	ChEMBL_1524697 (CHEMBL3631091)	Inhibition of human PTP1B preincubated with protein for 15 mins followed by DiFMUP addition for 1 hr measured by fluorescence analysis
50046708	4	ChEMBL_1524698 (CHEMBL3631092)	Inhibition of human EGFR incubated for 2 hrs by Kinase-Glo luminescent kinase assay
50046708	5	ChEMBL_1524699 (CHEMBL3631093)	Inhibition of recombinant mu-opioid receptor (unknown origin) expressed in CHO cells for 60 mins
50046708	6	ChEMBL_1524700 (CHEMBL3631094)	Inhibition of FLT3 (unknown origin) expressed in Sf9 insect cells for 4 hrs by Kinase-Glo assay
50046708	7	ChEMBL_1524701 (CHEMBL3631095)	Displacement of 125I-SDF-1 from human CXCR4 expressed in HEK293 cells incubated for 1.5 hrs by Topcount analysis
50026928	6	ChEMBL_557715 (CHEMBL963010)	Inhibition of PTP1B by pNPP assay
50026928	5	ChEMBL_557716 (CHEMBL963011)	Inhibition of TCPTP by pNPP assay
50026928	4	ChEMBL_557717 (CHEMBL963012)	Inhibition of human recombinant SHP1
50026928	3	ChEMBL_557718 (CHEMBL963013)	Inhibition of human recombinant LAR
50026928	2	ChEMBL_557719 (CHEMBL963014)	Inhibition of human recombinant PTPalpha
50026928	1	ChEMBL_557720 (CHEMBL963015)	Inhibition of human recombinant PTPepsilon
50026938	1	ChEMBL_510956 (CHEMBL1007290)	Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells
50026938	3	ChEMBL_510960 (CHEMBL1003147)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50026938	4	ChEMBL_510958 (CHEMBL1003145)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells
50026938	2	ChEMBL_510957 (CHEMBL1007291)	Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding
50026942	3	ChEMBL_510971 (CHEMBL1003158)	Inhibition of Cdc25A (336-523) expressed in Escherichia coli
50026942	2	ChEMBL_510972 (CHEMBL1003159)	Inhibition of Cdc25B (378-566) expressed in Escherichia coli
50026942	1	ChEMBL_510974 (CHEMBL1003161)	Binding affinity to Cdc25A (336-523) expressed in Escherichia coli by steady-state kinetic assay
50026953	1	ChEMBL_557744 (CHEMBL953253)	Inhibition of indoleamine 2,3-dioxygenase in aerobic condition
50026959	1	ChEMBL_535095 (CHEMBL981687)	Inhibition of VEGFR2
50026959	3	ChEMBL_535096 (CHEMBL981688)	Inhibition of Aurora A
50026959	2	ChEMBL_535097 (CHEMBL981689)	Inhibition of CDK1
50026960	1	ChEMBL_511264 (CHEMBL996090)	Inhibition of APN by spectrophotometric assay
50026960	2	ChEMBL_511263 (CHEMBL997006)	Inhibition of MMP2 by microtiter plate fluorimetric assay
50026967	1	ChEMBL_492574 (CHEMBL952241)	Displacement of [3H]des-arg10leu9kallidin from human bradykinin B1 receptor expressed in CHO cells by Wallac beta-plate scintillation counting
50026969	1	ChEMBL_535112 (CHEMBL983675)	Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay
50026969	2	ChEMBL_535113 (CHEMBL983676)	Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay
50026970	2	ChEMBL_492617 (CHEMBL953046)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay
50026970	1	ChEMBL_492618 (CHEMBL953047)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced 45Ca2+ influx by FLIPR assay
50046708	8	ChEMBL_1524702 (CHEMBL3631096)	Inhibition of Aurora A (unknown origin)
50046708	9	ChEMBL_1524705 (CHEMBL3631099)	Inhibition of catalase (unknown origin)
50046709	1	ChEMBL_1524711 (CHEMBL3631105)	Inhibition of STAT3 (unknown origin) expressed in Oncostatin M induced human HeLa cells incubated for 1 hr by luciferase reporter gene assay
50046710	1	ChEMBL_1522271 (CHEMBL3630540)	Inhibition of recombinant human MAOA using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition by fluorometric analysis
50046710	2	ChEMBL_1522272 (CHEMBL3630541)	Inhibition of recombinant human MAOB using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition by fluorometric analysis
50046711	1	ChEMBL_1522303 (CHEMBL3630726)	Antagonist activity at human H4R expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by TR-FRET immunoassay
50046711	2	ChEMBL_1522302 (CHEMBL3630725)	Displacement of [3H]histamine from mouse H4 receptor expressed in HEK293 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 1 hr by liquid scintillation counting assay
50046711	3	ChEMBL_1522301 (CHEMBL3630724)	Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting assay
50026972	1	ChEMBL_492634 (CHEMBL953063)	Binding affinity to wild type CCR2
50026972	3	ChEMBL_492630 (CHEMBL953059)	Displacement of radiolabeled MCP1 from CCR2 in human PBMC by millipore filter plate assay
50026972	4	ChEMBL_492631 (CHEMBL953060)	Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate assay
50026972	2	ChEMBL_492632 (CHEMBL953061)	Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis
50026978	1	ChEMBL_535176 (CHEMBL988115)	Agonist activity at GHSR
50026978	2	ChEMBL_535178 (CHEMBL988117)	Binding affinity to GHSR
50026979	1	ChEMBL_535180 (CHEMBL991725)	Inhibition of xanthine oxidase assessed as decrease of superoxide generation
50026979	2	ChEMBL_535181 (CHEMBL990777)	Inhibition of xanthine oxidase assessed as decrease of uric acid generation
50046711	4	ChEMBL_1522378 (CHEMBL3631115)	Inhibition of human recombinant CYP3A4 assessed as conversion of luciferin-PPXE to D-luciferin by luminescence Glo assay
50046712	1	ChEMBL_1522395 (CHEMBL3631132)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50026981	3	ChEMBL_557759 (CHEMBL953268)	Inhibition of PTP1B
50026981	1	ChEMBL_557760 (CHEMBL953269)	Inhibition of TC-PTP
50026981	2	ChEMBL_557762 (CHEMBL953271)	Inhibition of PTP SHP1
50026982	1	ChEMBL_535193 (CHEMBL990789)	Antagonist activity at rat TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR assay
50046712	2	ChEMBL_1522396 (CHEMBL3631133)	Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50026983	4	ChEMBL_535203 (CHEMBL990799)	Inhibition of c-kit
50026983	2	ChEMBL_535206 (CHEMBL990802)	Inhibition of KDR
50026983	3	ChEMBL_535207 (CHEMBL990803)	Inhibition of Tie2
50026983	5	ChEMBL_535208 (CHEMBL990804)	Inhibition of Src
50026983	1	ChEMBL_535209 (CHEMBL990805)	Inhibition of Lck
50026983	7	ChEMBL_535210 (CHEMBL990806)	Inhibition of cFMS
50026983	6	ChEMBL_535211 (CHEMBL990807)	Inhibition of PDGFRalpha
50026984	5	ChEMBL_496407 (CHEMBL1001157)	Binding affinity to human NPY Y5 receptor transfected in mouse LMtk cells
50026984	4	ChEMBL_496408 (CHEMBL1001158)	Binding affinity to NPY Y1 receptor
50026984	3	ChEMBL_496409 (CHEMBL1001159)	Binding affinity to NPY Y2 receptor
50026984	2	ChEMBL_496410 (CHEMBL1001160)	Binding affinity to NPY Y4 receptor
50026984	1	ChEMBL_496414 (CHEMBL1001164)	Antagonist activity at human NPY Y5 receptor transfected in mouse LMtk cells assessed as inhibition of neuropeptide Y-induced increase in intercellular Ca2+ level
50026987	2	ChEMBL_558043 (CHEMBL955751)	Displacement of [3H]CP-55940 from cannabinoid CB2 receptor in mouse spleen membrane
50026987	1	ChEMBL_557771 (CHEMBL953280)	Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain membrane in presence of phenylmethanesulfonyl fluoride
50026989	2	ChEMBL_535232 (CHEMBL991729)	Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting
50026989	1	ChEMBL_535233 (CHEMBL991730)	Inhibition of monoamine oxidase B
50026991	2	ChEMBL_557775 (CHEMBL953284)	Inhibition of human liver glycogen phosphorylase a in absence of glucose
50026991	1	ChEMBL_557776 (CHEMBL953285)	Inhibition of human liver glycogen phosphorylase a in presence of glucose
50026997	4	ChEMBL_511508 (CHEMBL978239)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50026997	1	ChEMBL_511505 (CHEMBL978236)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50026997	2	ChEMBL_511512 (CHEMBL980955)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes
50026997	3	ChEMBL_511511 (CHEMBL980954)	Binding affinity to human adenosine A1 receptor expressed in CHO cells
50046713	1	ChEMBL_1522406 (CHEMBL3631301)	Inhibition of bovine XO using xanthine as substrate after 120 mins by spectrophotometric analysis
50046714	1	ChEMBL_1522415 (CHEMBL3631310)	Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate addition measured by continuous fluorometric analysis
50046714	2	ChEMBL_1522410 (CHEMBL3631305)	Inhibition of human thrombin preincubated with protein for 15 mins followed by boc-Val-Pro-Arg-AMC substrate addition measured after 10 mins by continuous fluorometric analysis
50046714	3	ChEMBL_1522416 (CHEMBL3631311)	Inhibition of trypsin (unknown origin) preincubated with protein for 15 mins followed by boc-Val-Pro-Arg-AMC substrate addition measured by continuous fluorometric analysis
50046715	1	ChEMBL_1522498 (CHEMBL3631634)	Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectrometry
50046715	2	ChEMBL_1522499 (CHEMBL3631635)	Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectrometry
50046716	1	ChEMBL_1522511 (CHEMBL3631756)	Binding affinity to alpha4beta2 nAChR (unknown origin)
50046716	2	ChEMBL_1522501 (CHEMBL3631637)	Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in Sprague-Dawley rat hippocampal membranes pre-incubated for 5 mins followed by overnight incubation by radioligand liquid scintillation counter analysis
50046717	1	ChEMBL_1522521 (CHEMBL3631766)	Agonist activity at S1P1 receptor (unknown origin) expressed in CHO-K1 cells assessed as beta-arrestin recruitment after 60 mins by chemiluminescence assay
50046717	2	ChEMBL_1522520 (CHEMBL3631765)	Agonist activity at S1P3 receptor (unknown origin) expressed in RBL membranes assessed as GTPgammaS binding after 3 hrs
50026999	2	ChEMBL_511534 (CHEMBL980977)	Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor
50026999	3	ChEMBL_511532 (CHEMBL980975)	Inhibition of factor 10a
50026999	1	ChEMBL_511529 (CHEMBL980972)	Inhibition of thrombin
50027004	2	ChEMBL_535242 (CHEMBL981701)	Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells
50027004	1	ChEMBL_535243 (CHEMBL981702)	Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50027006	1	ChEMBL_557785 (CHEMBL953294)	Binding affinity to human prostasin
50027007	1	ChEMBL_535256 (CHEMBL981715)	Displacement of [125I]PYY from human recombinant NPYY5 receptor expressed in mouse LMtk cells
50027007	2	ChEMBL_535257 (CHEMBL981716)	Inhibition of NPYY1 receptor
50027007	3	ChEMBL_535258 (CHEMBL981717)	Inhibition of NPYY2 receptor
50027007	4	ChEMBL_535259 (CHEMBL981718)	Inhibition of NPYY4 receptor
50027007	5	ChEMBL_535260 (CHEMBL981719)	Antagonist activity at human recombinant NPYY5 receptor expressed in mouse LMtk cells assessed as inhibition of NPY-induced calcium increase
50046718	1	ChEMBL_1522809 (CHEMBL3630368)	Inhibition of MK2 (unknown origin) by scintillation proximity assay
50027010	3	ChEMBL_535277 (CHEMBL981736)	Agonist activity at dog cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation
50027010	1	ChEMBL_535274 (CHEMBL981733)	Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation
50027010	2	ChEMBL_535275 (CHEMBL981734)	Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation
50027011	1	ChEMBL_496449 (CHEMBL1004580)	Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay
50027012	7	ChEMBL_557788 (CHEMBL953297)	Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain
50027012	4	ChEMBL_557789 (CHEMBL953298)	Displacement of [3H]CP-55940 from CB1 receptor in mouse brain
50027012	6	ChEMBL_557786 (CHEMBL953295)	Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain
50027012	1	ChEMBL_557838 (CHEMBL956563)	Agonist activity at CB1 receptor in mouse brain membrane assessed as stimulation of GTPgammaS binding
50027012	8	ChEMBL_557834 (CHEMBL956559)	Displacement of [3H]CP-55940 from mouse CB1 receptor expressed in HEK293 cells
50027012	3	ChEMBL_557837 (CHEMBL956562)	Displacement of [3H]CP-55940 from mouse CB1 receptor expressed in HEK293 cells in presence of mouse brain membrane
50027012	2	ChEMBL_557787 (CHEMBL953296)	Inhibition of MAGL-mediated [14C]1-oleoylglycerol hydrolysis in mouse brain
50027012	5	ChEMBL_557836 (CHEMBL956561)	Displacement of [3H]CP-55940 from CB1 receptor in mouse brain at 100 nM
50027013	3	ChEMBL_535281 (CHEMBL982606)	Antagonist activity at rat bradykinin B1 receptor
50027013	1	ChEMBL_535289 (CHEMBL982614)	Inhibition of human bradykinin B1 receptor
50027013	2	ChEMBL_535280 (CHEMBL982605)	Antagonist activity at Cynomolgus monkey bradykinin B1 receptor expressed in CHO cells assessed as calcium transient by FLIPR assay
50027014	2	ChEMBL_557842 (CHEMBL958999)	Agonist activity at rat TAAR1 expressed in HEK293 cells assessed as intracellular cAMP level
50027014	1	ChEMBL_557844 (CHEMBL959001)	Antagonist activity at rat TAAR1 expressed in HEK293 cells assessed as intracellular cAMP level
50027016	2	ChEMBL_496461 (CHEMBL1004592)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting
50027016	1	ChEMBL_496462 (CHEMBL1004593)	Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectroscopy
50027016	4	ChEMBL_496463 (CHEMBL1004594)	Binding affinity to mouse histamine H3 receptor
50027016	3	ChEMBL_496464 (CHEMBL1004595)	Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed as reversal of N-alpha-methylhistamine-induced inhibition of forskolin-stimulated cAMP formation
50027017	5	ChEMBL_496710 (CHEMBL1002896)	Inhibition of CYP3A4
50027017	1	ChEMBL_496711 (CHEMBL1002897)	Inhibition of CYP2D6
50027017	2	ChEMBL_496712 (CHEMBL1002898)	Inhibition of CYP2C9
50027017	7	ChEMBL_496713 (CHEMBL1002899)	Inhibition of CYP2C19
50027017	8	ChEMBL_496714 (CHEMBL1002900)	Inhibition of CYP1A2
50027017	6	ChEMBL_496715 (CHEMBL1006160)	Inhibition of human ERG potassium channel by patch-clamp assay
50046719	1	ChEMBL_1522816 (CHEMBL3630375)	Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) transfected in HEK293 cells
50046719	2	ChEMBL_1522817 (CHEMBL3630376)	Displacement of [3H]-DPDPE from delta opioid receptor (unknown origin) transfected in HEK293 cells
50046719	3	ChEMBL_1522819 (CHEMBL3630378)	Agonist activity at mu opioid receptor (unknown origin) transfected in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production
50046720	1	ChEMBL_1522838 (CHEMBL3630397)	Competitive inhibition of human recombinant ST6Gal-1 using CMP-Neu5Ac and p-nitrophenyl LacNAc as donar and acceptor by Lineweaver-Burk double reciprocal plot analysis
50046721	1	ChEMBL_1522982 (CHEMBL3631158)	Inhibition of recombinant human ACC2 expressed in CHO cells by fluorescence polarization assay
50046721	2	ChEMBL_1522981 (CHEMBL3631157)	Inhibition of rat liver ACC1 preincubated for 10 mins followed by acetyl-CoA/KHCO3/[14C]-NaHCO3/ATP addition measured after 20 mins by liquid scintillation counting analysis
50046722	1	ChEMBL_1522988 (CHEMBL3631164)	Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay
50046722	2	ChEMBL_1522989 (CHEMBL3631165)	Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay
50046722	3	ChEMBL_1522987 (CHEMBL3631163)	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50027018	1	ChEMBL_511537 (CHEMBL980980)	Inhibition of COX1 in arachidonic acid-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay
50027018	2	ChEMBL_511538 (CHEMBL980981)	Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay
50027018	3	ChEMBL_511543 (CHEMBL980986)	Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay
50046723	1	ChEMBL_1523014 (CHEMBL3631346)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50046723	2	ChEMBL_1523015 (CHEMBL3631347)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50046723	3	ChEMBL_1523016 (CHEMBL3631348)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50046723	4	ChEMBL_1523017 (CHEMBL3631349)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50046723	5	ChEMBL_1522993 (CHEMBL3631169)	Positive allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM dye based fluorescence analysis
50027022	3	ChEMBL_535301 (CHEMBL982626)	Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells
50027022	4	ChEMBL_535303 (CHEMBL982628)	Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells
50027022	1	ChEMBL_535309 (CHEMBL982634)	Antagonist activity at NECA-stimulated human adenosine A3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50027022	2	ChEMBL_535299 (CHEMBL982624)	Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells
50027029	1	ChEMBL_512484 (CHEMBL966974)	Inhibition of GluR2 receptor
50027030	2	ChEMBL_512487 (CHEMBL966977)	Inhibition of Taq polymerase
50027030	1	ChEMBL_512488 (CHEMBL966978)	Inhibition of telomerase in human JR8 cells by TRAP assay
50027031	1	ChEMBL_512491 (CHEMBL966981)	Activity at rat alpha7 nAChR expressed in Xenopus laevis assessed as inhibition of acetylcholine-induced current at holding potential of -80 mV by two-electrode voltage clamp technique
50027031	2	ChEMBL_512492 (CHEMBL966982)	Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP
50027032	5	ChEMBL_512500 (CHEMBL966990)	Binding affinity to human CB2 receptor by [35S]GTPgammaS binding assay
50027032	4	ChEMBL_512499 (CHEMBL966989)	Binding affinity to human CB1 receptor by [35S]GTPgammaS binding assay
50027032	3	ChEMBL_512540 (CHEMBL967030)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor
50027032	1	ChEMBL_512526 (CHEMBL967016)	Displacement of [3H]tiotidine from human cloned histamine H2 receptor
50027032	2	ChEMBL_512527 (CHEMBL967017)	Displacement of [3H]alpha methyl histamine from human cloned histamine H3 receptor
50027033	1	ChEMBL_512553 (CHEMBL967864)	Inhibition of squalene synthase in rat liver microsome measured by conversion of [3H]FPP to squalene
50027034	1	ChEMBL_496716 (CHEMBL1005353)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D-glucopyranoside uptake by fluorescence polarization assay
50027035	2	ChEMBL_496717 (CHEMBL1005354)	Inhibition of human recombinant COT by HTRF-based assay
50027035	3	ChEMBL_496718 (CHEMBL1005355)	Inhibition of MEK1 by HTRF assay
50027036	1	ChEMBL_535338 (CHEMBL983464)	Inhibition of PHD2 by fluorescence energy transfer analysis
50046723	7	ChEMBL_1523145 (CHEMBL3631963)	Negative allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM dye based fluorescence analysis
50027040	1	ChEMBL_535370 (CHEMBL983496)	Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cells
50027040	2	ChEMBL_535373 (CHEMBL983499)	Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assay
50027042	4	ChEMBL_543887 (CHEMBL1019483)	Agonist activity at Vibrio fischeri ES114 LuxR receptor by luciferase reporter gene assay
50027042	1	ChEMBL_543882 (CHEMBL1016857)	Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter gene assay
50027042	3	ChEMBL_543884 (CHEMBL1016859)	Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase reporter gene assay
50027042	2	ChEMBL_543885 (CHEMBL1016860)	Agonist activity at Agrobacterium tumefaciens WCF47 TraR receptor by beta-galctosidase reporter gene assay
50027043	1	ChEMBL_496725 (CHEMBL1005362)	Binding affinity to human recombinant ERalpha receptor by liquid scintillation counter
50027043	2	ChEMBL_496726 (CHEMBL1005363)	Binding affinity to human recombinant ERbeta receptor by liquid scintillation counter
50027056	1	ChEMBL_535431 (CHEMBL984460)	Displacement of [3H]citalopram from rat brain SERT
50027056	2	ChEMBL_535432 (CHEMBL984461)	Displacement of [3H]WIN-35428 from rat brain DAT
50027057	1	ChEMBL_535435 (CHEMBL985261)	Inhibition of PLK1
50027060	9	ChEMBL_512775 (CHEMBL971586)	Inhibition of human adrenal corticoid CYP11B2 expressed in chinese hamster V79 MZh cells
50027060	10	ChEMBL_512776 (CHEMBL971587)	Inhibition of human adrenal corticoid CYP11B1 expressed in chinese hamster V79 MZh cells
50027060	2	ChEMBL_512768 (CHEMBL971579)	Inhibition of human placental microsome CYP19
50027060	1	ChEMBL_512784 (CHEMBL971595)	Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes
50027060	5	ChEMBL_512780 (CHEMBL971591)	Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes
50027060	6	ChEMBL_512771 (CHEMBL971582)	Inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect microsomes
50027060	7	ChEMBL_512787 (CHEMBL971598)	Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes
50027062	1	ChEMBL_513348 (CHEMBL972711)	Inhibition of p38alpha
50027068	1	ChEMBL_496750 (CHEMBL1005387)	Inhibition of Stat3 binding to DNA in human U266 whole cell lysate by ELISA
50027069	1	ChEMBL_535494 (CHEMBL986121)	Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding
50027069	5	ChEMBL_535515 (CHEMBL986141)	Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide from human ERG in HEK293 cells
50027069	2	ChEMBL_535495 (CHEMBL986122)	Inhibition of histamine H1 receptor
50027069	3	ChEMBL_535496 (CHEMBL986123)	Inhibition of histamine H2 receptor
50027069	4	ChEMBL_535497 (CHEMBL986124)	Inhibition of histamine H4 receptor
50046724	1	ChEMBL_1523326 (CHEMBL3630137)	Inhibition of M-CSF/sRANKL-induced mouse BMDM differentiation into osteoclast after 72 hrs by TRAP staining-based microscopic analysis
50046725	1	ChEMBL_1523330 (CHEMBL3630141)	Inhibition of recombinant human PDE3A assessed as reduction of [3H]-cAMP hydrolysis preincubated for 5 mins followed by [3H]-cAMP addition measured after 20 mins by scintillation proximity assay
50027076	1	ChEMBL_538605 (CHEMBL1027395)	Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) after 60 mins
50046725	2	ChEMBL_1523331 (CHEMBL3630142)	Inhibition of recombinant human PDE3B assessed as reduction of [3H]-cAMP hydrolysis preincubated for 5 mins followed by [3H]-cAMP addition measured after 20 mins by scintillation proximity assay
50027077	4	ChEMBL_538609 (CHEMBL1027399)	Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay
50046725	3	ChEMBL_1523332 (CHEMBL3630143)	Inhibition of recombinant human PDE4A assessed as reduction of [3H]-cAMP hydrolysis preincubated for 5 mins followed by [3H]-cAMP addition measured after 20 mins by scintillation proximity assay
50046725	4	ChEMBL_1523333 (CHEMBL3630144)	Inhibition of recombinant human PDE4B assessed as reduction of [3H]-cAMP hydrolysis preincubated for 5 mins followed by [3H]-cAMP addition measured after 20 mins by scintillation proximity assay
50046725	5	ChEMBL_1523329 (CHEMBL3630140)	Inhibition of recombinant human PDE10A assessed as reduction of [3H]-cAMP hydrolysis preincubated for 5 mins followed by [3H]-cAMP addition measured after 20 mins by scintillation proximity assay
50027077	5	ChEMBL_538608 (CHEMBL1027398)	Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells
50027078	1	ChEMBL_538640 (CHEMBL1032277)	Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation
50046726	1	ChEMBL_1523710 (CHEMBL3631849)	Inhibition of JNK2 (unknown origin) by FRET method
50046726	2	ChEMBL_1523711 (CHEMBL3631850)	Inhibition of JNK3 (unknown origin) by FRET method
50046726	3	ChEMBL_1523712 (CHEMBL3631851)	Inhibition of MLK1 (unknown origin) by FRET method
50046726	4	ChEMBL_1523713 (CHEMBL3631852)	Inhibition of MLK2 (unknown origin) by FRET method
50046726	5	ChEMBL_1523714 (CHEMBL3631853)	Inhibition of MLK3 (unknown origin) by FRET method
50046726	6	ChEMBL_1523700 (CHEMBL3631839)	Inhibition of CSF1R (unknown origin) by FRET method
50046726	7	ChEMBL_1523701 (CHEMBL3631840)	Inhibition of Flt3 (unknown origin) by FRET method
50046726	8	ChEMBL_1523702 (CHEMBL3631841)	Inhibition of GSK3beta (unknown origin) by FRET method
50046726	9	ChEMBL_1523703 (CHEMBL3631842)	Inhibition of Kit (unknown origin) by FRET method
50046726	10	ChEMBL_1523704 (CHEMBL3631843)	Inhibition of Src (unknown origin) by FRET method
50046726	11	ChEMBL_1523705 (CHEMBL3631844)	Inhibition of TrkA (unknown origin) by FRET method
50046726	12	ChEMBL_1523706 (CHEMBL3631845)	Inhibition of TrkB (unknown origin) by FRET method
50046726	13	ChEMBL_1523707 (CHEMBL3631846)	Inhibition of MKK4 (unknown origin) using KFMMTPpYVVTR substrate incubated for 1 hr measured by MpTPpYV probe-based fluorescence polarization assay
50046726	14	ChEMBL_1523708 (CHEMBL3631847)	Inhibition of MKK7 (unknown origin) using KFMMTPpYVVTR substrate incubated for 1 hr measured by MpTPpYV probe-based fluorescence polarization assay
50046726	15	ChEMBL_1523709 (CHEMBL3631848)	Inhibition of JNK1 (unknown origin) by FRET method
50046726	16	ChEMBL_1523511 (CHEMBL3631015)	Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incubated for 60 mins by TR-FRET assay
50046726	17	ChEMBL_1523510 (CHEMBL3631014)	Inhibition of Dox inducible human DLK transfected in HEK293 cells assessed as reduction in JNK phosphorylation incubated for 5.5 hrs measured by Hoechst 33342 staining based imaging analysis
50027085	2	ChEMBL_535520 (CHEMBL986146)	Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
50027085	1	ChEMBL_535521 (CHEMBL986147)	Agonist activity at human PPARgamma expressed in african green monkey CV-1 co-transfected with GAL4 by by dual-glo luciferase reporter gene assay
50046727	1	ChEMBL_1523722 (CHEMBL3631861)	Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay
50046727	2	ChEMBL_1523723 (CHEMBL3631862)	Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleated cells after 4 days by light microscopy
50046728	1	ChEMBL_1523850 (CHEMBL3632411)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluorescence analysis for 10 mins
50046729	1	ChEMBL_1523854 (CHEMBL3632415)	Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells by AlphaScreen cAMP assay
50046729	2	ChEMBL_1523853 (CHEMBL3632414)	Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells by AlphaScreen cAMP assay
50046729	3	ChEMBL_1523852 (CHEMBL3632413)	Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells by AlphaScreen cAMP assay
50046729	4	ChEMBL_1523851 (CHEMBL3632412)	Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells by AlphaScreen cAMP assay
50046730	1	ChEMBL_1523860 (CHEMBL3632421)	Agonist activity at mouse GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis
50046730	2	ChEMBL_1523859 (CHEMBL3632420)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis
50046731	1	ChEMBL_1523889 (CHEMBL3630034)	Inhibition of TrkA (unknown origin) by radiometric analysis in presence of [gamma-33P]-ATP
50046731	2	ChEMBL_1523888 (CHEMBL3630033)	Inhibition of PLK3 (unknown origin) by radiometric analysis in presence of [gamma-33P]-ATP
50046732	1	ChEMBL_1524228 (CHEMBL3631598)	Displacement of fluorescently-labeled-TZ14011 from CXCR4 in human Jurkat cells incubated for 30 mins by fluorescence analysis
50046733	1	ChEMBL_1524230 (CHEMBL3631600)	Inhibition of equine serum BuChE using thiocholine iodide as substrate by Ellman's method
50027092	1	ChEMBL_496798 (CHEMBL1008811)	Inhibition of Plasmodium falciparum PK7
50027095	2	ChEMBL_497044 (CHEMBL1008868)	Inhibition of PI3Kdelta
50027095	4	ChEMBL_497045 (CHEMBL1008869)	Inhibition of PI3Kgamma
50027095	3	ChEMBL_497054 (CHEMBL997690)	Inhibition of PI3Kalpha
50027095	1	ChEMBL_497055 (CHEMBL997691)	Inhibition of PI3Kbeta
50027096	1	ChEMBL_497063 (CHEMBL997699)	Displacement of [3H]ketanserin from human 5HT2A receptor
50027098	1	ChEMBL_557939 (CHEMBL963037)	Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in CHO-K1 cells
50027098	2	ChEMBL_557940 (CHEMBL963038)	Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor expressed in rat C6 cells
50027102	9	ChEMBL_538660 (CHEMBL1033058)	Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells
50027102	8	ChEMBL_538661 (CHEMBL1033059)	Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells
50027102	4	ChEMBL_538662 (CHEMBL1033060)	Displacement of [3H]8OH-DPAT from 5HT1A receptor
50027102	3	ChEMBL_538663 (CHEMBL1033061)	Displacement of [3H]ketanserin from 5HT2A receptor
50027102	2	ChEMBL_538664 (CHEMBL1033062)	Displacement of [3H]mesulergine from 5HT2C receptor
50027102	1	ChEMBL_538665 (CHEMBL1033063)	Displacement of [3H]SCH23390 from dopamine D1 receptor
50027102	7	ChEMBL_538666 (CHEMBL1033064)	Displacement of [125I]IABN from human dopamine D4 receptor
50027102	6	ChEMBL_538667 (CHEMBL1033065)	Antagonist activity at dopamine D2 receptor
50027102	5	ChEMBL_538668 (CHEMBL1033066)	Antagonist activity at dopamine D3 receptor
50046733	2	ChEMBL_1524229 (CHEMBL3631599)	Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method
50046734	1	ChEMBL_1522561 (CHEMBL3631914)	Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay
50046734	2	ChEMBL_1522562 (CHEMBL3631915)	Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mins followed by incubation with ATP for 2 hrs by ADP-Glo assay
50046735	1	ChEMBL_1522569 (CHEMBL3631922)	Inhibition of ovine COX-2 using arachidonic acid after 5 mins by colorimetric method
50046735	2	ChEMBL_1522568 (CHEMBL3631921)	Inhibition of ovine COX-1 using arachidonic acid after 5 mins by colorimetric method
50046736	1	ChEMBL_1522583 (CHEMBL3631936)	Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting
50027112	1	ChEMBL_535592 (CHEMBL987066)	Inhibition of recombinant LFA1/ICAM1-IG interaction by time-resolved fluorimetry method
50027115	2	ChEMBL_535636 (CHEMBL987964)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells
50027115	1	ChEMBL_535635 (CHEMBL987963)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells
50027115	3	ChEMBL_535638 (CHEMBL987966)	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046736	2	ChEMBL_1522585 (CHEMBL3631938)	Displacement of [125I]-Tyr0-sauvagine from CRF1 receptor (unknown origin)
50046737	1	ChEMBL_1522723 (CHEMBL3629949)	Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay
50027118	2	ChEMBL_535645 (CHEMBL987973)	Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells
50027118	3	ChEMBL_535646 (CHEMBL987974)	Inhibition of [3H]DA reuptake at human dopamine transporter expressed in HEK293 cells
50027118	1	ChEMBL_535647 (CHEMBL987975)	Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells
50027119	1	ChEMBL_535661 (CHEMBL987989)	Inhibition of mushroom tyrosinase
50027121	3	ChEMBL_557955 (CHEMBL963053)	Inhibition of human recombinant pro-MMP7 by spectrofluorimeter
50046737	2	ChEMBL_1522724 (CHEMBL3629950)	Inhibition of human liver cathepsin B using Z-RR-AMC as substrate after 5 mins by fluorescence assay
50027121	2	ChEMBL_557957 (CHEMBL963055)	Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter
50027121	5	ChEMBL_557953 (CHEMBL963051)	Inhibition of human recombinant pro-MMP2 by spectrofluorimeter
50027121	1	ChEMBL_557952 (CHEMBL963050)	Inhibition of human recombinant pro-MMP1 by spectrofluorimeter
50046738	1	ChEMBL_1522851 (CHEMBL3630569)	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as formation of L-DOPA chrome preincubated for 10 mins followed by addition of substrate measured over 10 mins by fluorescence assay
50027122	1	ChEMBL_535667 (CHEMBL987995)	Inhibition of human aromatase
50027124	2	ChEMBL_539004 (CHEMBL1035678)	Inhibition of human recombinant DPP9 expressed in intact HEK293T cells after 2 hrs
50027124	3	ChEMBL_538997 (CHEMBL1035671)	Inhibition of human placental DPP4
50027124	4	ChEMBL_538996 (CHEMBL1035670)	Inhibition of human recombinant DPP8 expressed in HEK293T cells
50027124	1	ChEMBL_538995 (CHEMBL1035669)	Inhibition of human recombinant DPP9 expressed in HEK293T cells
50027127	7	ChEMBL_539624 (CHEMBL1025629)	Displacement of [125I]HEAT from adrenergic alpha1A receptor
50027127	2	ChEMBL_539625 (CHEMBL1025630)	Displacement of [125I]HEAT from adrenergic alpha2A receptor
50027127	4	ChEMBL_539626 (CHEMBL1025631)	Displacement of [125I]HEAT from adrenergic Alpha-2C receptor
50046739	1	ChEMBL_1522861 (CHEMBL3630579)	Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as stumulation of intracellular cAMP production
50027127	9	ChEMBL_539628 (CHEMBL1025633)	Displacement of [3H]N-methylspiperone from dopamine D4 receptor
50027127	11	ChEMBL_539629 (CHEMBL1025634)	Displacement of [3H]pyrilamine from human histamine H1 receptor
50027127	1	ChEMBL_539630 (CHEMBL1025635)	Displacement of [3H]tiotidine from human histamine H2 receptor
50027127	3	ChEMBL_539631 (CHEMBL1025636)	Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor
50027127	5	ChEMBL_539632 (CHEMBL1025637)	Displacement of [3H]DAMGO from mu opioid receptor
50027127	6	ChEMBL_539633 (CHEMBL1025638)	Displacement of [3H]Pentazocine from rat sigma 1 receptor in rat PC12 cells
50027127	8	ChEMBL_539635 (CHEMBL1025640)	Displacement of [3H]citalopram from human SERT
50027129	1	ChEMBL_535682 (CHEMBL988836)	Displacement of [3H]dofetilide from human ERG in HEK293 cells
50027129	2	ChEMBL_535681 (CHEMBL988835)	Inhibition of human recombinant cathepsin L by fluorometric assay
50027129	3	ChEMBL_535680 (CHEMBL988834)	Inhibition of human recombinant cathepsin S by fluorometric assay
50027131	1	ChEMBL_497066 (CHEMBL997702)	Inhibition of recombinant LFA1/ICAM1-IG interaction by time-resolved fluorimetry method
50027132	1	ChEMBL_497069 (CHEMBL997705)	Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells by kinase activation based reporter gene assay
50027134	2	ChEMBL_535725 (CHEMBL989742)	Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli
50027134	1	ChEMBL_535726 (CHEMBL989743)	Inhibition of human recombinant transketolase expressed in Escherichia coli
50027135	3	ChEMBL_535730 (CHEMBL989747)	Displacement of [3H]SCH23390 from rat 5HT1A receptor expressed in CHO cells
50027135	1	ChEMBL_535731 (CHEMBL989748)	Displacement of [3H]Spiperone from human 5HT2A receptor expressed in HEK293 cells
50027135	2	ChEMBL_535732 (CHEMBL989749)	Displacement of [3H]8OH-DPAT from human dopamine D1 receptor expressed in HEK293 cells
50027135	4	ChEMBL_535733 (CHEMBL989750)	Displacement of [3H]ketanserin from human dopamine D2 receptor expressed in HEK293 cells
50027136	6	ChEMBL_539658 (CHEMBL1028193)	Binding affinity to ERbeta assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assay
50027136	7	ChEMBL_539657 (CHEMBL1028192)	Binding affinity to ERalpha assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 by TR-FRET assay
50027136	5	ChEMBL_539663 (CHEMBL1028198)	Antagonist activity at ERalpha in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene assay
50027136	4	ChEMBL_539664 (CHEMBL1028199)	Antagonist activity at ERbeta in human HEC1 cells assessed as inhibition of estrogen-induced transcriptional activity after 24 hrs by reporter gene assay
50027136	1	ChEMBL_539660 (CHEMBL1028195)	Binding affinity to ERalpha assessed as inhibition of steroid receptor coactivator 2 interaction by fluorescence polarization assay
50027136	3	ChEMBL_539661 (CHEMBL1028196)	Binding affinity to ERbeta assessed as inhibition of steroid receptor coactivator 2 interaction by fluorescence polarization assay
50027136	2	ChEMBL_539662 (CHEMBL1028197)	Binding affinity to ERalpha assessed as inhibition of steroid receptor coactivator interaction in african green monkey COS7 cells by mammalian 2 hybrid assay
50027137	2	ChEMBL_539668 (CHEMBL1028976)	Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum
50027137	3	ChEMBL_539669 (CHEMBL1028977)	Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen
50027137	1	ChEMBL_539670 (CHEMBL1028978)	Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum
50027140	2	ChEMBL_497074 (CHEMBL997710)	Inhibition of human recombinant AChE
50027140	1	ChEMBL_497075 (CHEMBL997711)	Inhibition of human recombinant BChE
50046739	2	ChEMBL_1522867 (CHEMBL3630585)	Antagonist activity at muscarinic M1 receptor (unknown origin)
50046739	3	ChEMBL_1522868 (CHEMBL3630586)	Antagonist activity at muscarinic M2 receptor (unknown origin)
50046739	4	ChEMBL_1522869 (CHEMBL3630587)	Antagonist activity at muscarinic M4 receptor (unknown origin)
50046739	5	ChEMBL_1522870 (CHEMBL3630588)	Antagonist activity at muscarinic M5 receptor (unknown origin)
50046739	6	ChEMBL_1522875 (CHEMBL3630593)	Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as inhibition of histamine-induced contraction
50046739	7	ChEMBL_1522863 (CHEMBL3630581)	Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 receptor by dilution method
50046740	1	ChEMBL_1522886 (CHEMBL3630759)	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay
50046740	2	ChEMBL_1522885 (CHEMBL3630758)	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of NADA-induced activation by FLIPR assay
50046740	3	ChEMBL_1522887 (CHEMBL3630760)	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of low pH-induced activation
50046740	4	ChEMBL_1522888 (CHEMBL3630761)	Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of low 45 degC heat -induced activation
50046741	1	ChEMBL_1523078 (CHEMBL3631655)	Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate preincubated for 5 mins followed by substrate addition measured every 17 secs for 20 mins by microplate reader analysis
50046741	2	ChEMBL_1523075 (CHEMBL3631652)	Reversible binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR analysis
50013465	1	ChEMBL_2099864 (CHEMBL4808260)	Activation of human STING (139 to 379 residues) expressed in THP1-Blue ISG cells incubated for 24 hrs by quanti-blue SEAP reporter gene assay
50046741	3	ChEMBL_1523080 (CHEMBL3631657)	Binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 secs by SPR analysis
50046742	1	ChEMBL_1523179 (CHEMBL3632095)	Inhibition of TAK1 (unknown origin)
50046742	2	ChEMBL_1523178 (CHEMBL3632094)	Inhibition of TAK1 (unknown origin) expressed in sf9 cells assessed as 32P level incorporation into myelin basic protein incubated for 5 mins at 30 degC by immunoprecipitation method
50046743	1	ChEMBL_1523183 (CHEMBL3632099)	Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method
50046743	2	ChEMBL_1523184 (CHEMBL3632100)	Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method
50046743	3	ChEMBL_1523185 (CHEMBL3632101)	Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method
50046744	1	ChEMBL_1523192 (CHEMBL3632223)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by FLIPR assay
50046745	1	ChEMBL_1523364 (CHEMBL3630284)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis
50046745	2	ChEMBL_1523365 (CHEMBL3630285)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis
50046745	3	ChEMBL_1523366 (CHEMBL3630286)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis
50046746	1	ChEMBL_1523367 (CHEMBL3630287)	Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation proximity assay
50046747	1	ChEMBL_1523392 (CHEMBL3630419)	Inhibition of CYP3A4 (unknown origin) co-incubated with substrate and protein
50046747	2	ChEMBL_1523393 (CHEMBL3630420)	Inhibition of CYP3A4 (unknown origin) preincubated with protein for 30 mins followed by substrate addition
50046747	3	ChEMBL_1523394 (CHEMBL3630421)	Inhibition of CYP2D6 (unknown origin) co-incubated with substrate and protein
50046747	4	ChEMBL_1523395 (CHEMBL3630422)	Inhibition of CYP2D6 (unknown origin) preincubated with protein for 30 mins followed by substrate addition
50046747	5	ChEMBL_1523396 (CHEMBL3630423)	Inhibition of CYP2C9 (unknown origin) co-incubated with substrate and protein
50046747	6	ChEMBL_1523397 (CHEMBL3630424)	Inhibition of CYP2C9 (unknown origin) preincubated with protein for 30 mins followed by substrate addition
50046747	7	ChEMBL_1523380 (CHEMBL3630407)	Inhibition of gamma-secretase in HEK293 cell membranes using SPC99-Lon as substrate assessed as formation of amyloid beta 40 after 1 hr by electrochemiluminescence-based immunoassay
50046747	8	ChEMBL_1523381 (CHEMBL3630408)	Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 40 after 5 to 6 hrs by sandwich immunoassay
50046747	9	ChEMBL_1523382 (CHEMBL3630409)	Inhibition of gamma-secretase in HEK293 cells using human APP Swedish/London double mutant as substrate assessed as formation of amyloid beta 42 after 5 to 6 hrs by sandwich immunoassay
50046748	1	ChEMBL_1523399 (CHEMBL3630426)	Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counting analysis
50027160	1	ChEMBL_497104 (CHEMBL998582)	Inhibition of human FPPS
50046748	2	ChEMBL_1523405 (CHEMBL3630432)	Inhibition of human ERG by thallium flux assay
50046748	3	ChEMBL_1523398 (CHEMBL3630425)	Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting analysis
50027162	1	ChEMBL_535788 (CHEMBL991553)	Inhibition of FLAG tagged human recombinant 11beta-HSD1 reductase activity expressed in Trichoplusia ni Hi5 cells
50027162	2	ChEMBL_536048 (CHEMBL991618)	Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot
50027162	3	ChEMBL_535791 (CHEMBL991556)	Inhibition of human 11beta-HSD1 using variable substrate cortisol concentration by Lineweaver burk plot
50027163	2	ChEMBL_497105 (CHEMBL998583)	Binding affinity to Carica papaya papain treated up to 2 hrs at 25 degC by Dixon plot
50027163	1	ChEMBL_497106 (CHEMBL998584)	Binding affinity to cathepsin B treated up to 2 hrs at 37degC by Dixon plot
50027166	2	ChEMBL_497114 (CHEMBL998592)	Activation of human alpha7 nAChR assessed as potentiation of submaximal response to nicotine induced current
50027166	3	ChEMBL_497115 (CHEMBL1001195)	Activation of rat alpha4beta2 nAChR by fluorescence assay
50027166	5	ChEMBL_497109 (CHEMBL998587)	Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current
50027166	1	ChEMBL_497108 (CHEMBL998586)	Activation of human alpha3beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current
50027166	4	ChEMBL_497110 (CHEMBL998588)	Activation of human alpha3beta4 nAChR assessed as potentiation of submaximal response to nicotine induced current
50027168	1	ChEMBL_535801 (CHEMBL991566)	Inhibition of human erythrocyte mu-calpain
50027168	2	ChEMBL_535802 (CHEMBL991567)	Inhibition of pig kidney m-calpain
50027176	4	ChEMBL_497402 (CHEMBL1002943)	Inhibition of MMP1
50027176	11	ChEMBL_492682 (CHEMBL953112)	Inhibition of pig TACE
50027176	5	ChEMBL_497403 (CHEMBL1002944)	Inhibition of MMP2
50027176	24	ChEMBL_492649 (CHEMBL953078)	Inhibition of ADAM33
50027176	22	ChEMBL_497444 (CHEMBL1005438)	Inhibition of MMP15
50027176	25	ChEMBL_497442 (CHEMBL1005436)	Inhibition of MMP16
50027176	2	ChEMBL_497407 (CHEMBL1002948)	Inhibition of MMP7
50027176	1	ChEMBL_497406 (CHEMBL1002947)	Inhibition of MMP13
50027176	7	ChEMBL_497405 (CHEMBL1002946)	Inhibition of MMP8
50027176	6	ChEMBL_497404 (CHEMBL1002945)	Inhibition of MMP3
50027176	23	ChEMBL_497443 (CHEMBL1005437)	Inhibition of MMP10
50027176	19	ChEMBL_497414 (CHEMBL1002955)	Inhibition of MMP12
50046748	4	ChEMBL_1523401 (CHEMBL3630428)	Inhibition of BACE1 in HEK293 cells expressing APP695 Swedish mutant assessed as reduction of amyloid beta (1 to 40) production after overnight incubation by ELISA
50027176	8	ChEMBL_492654 (CHEMBL953083)	Inhibition of ADAM10
50027176	14	ChEMBL_492651 (CHEMBL953080)	Inhibition of ADAMTS1
50027176	20	ChEMBL_497412 (CHEMBL1002953)	Inhibition of TACE
50027176	17	ChEMBL_497416 (CHEMBL1002957)	Inhibition of NEP
50027176	16	ChEMBL_497415 (CHEMBL1002956)	Inhibition of ACE
50027176	18	ChEMBL_497413 (CHEMBL1002954)	Inhibition of MMP11
50046749	1	ChEBML_1523541	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50027176	10	ChEMBL_492660 (CHEMBL953089)	Inhibition of ADAM8
50046749	2	ChEBML_1523540	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50027176	15	ChEMBL_492661 (CHEMBL953090)	Inhibition of BMP1
50027176	9	ChEMBL_492655 (CHEMBL953084)	Inhibition of ADAM9
50027178	2	ChEMBL_535872 (CHEMBL994992)	Inhibition of TEL fused Lck-mediated proliferation of TEL-Lck transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50046749	3	ChEBML_1523542	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50027178	6	ChEMBL_535873 (CHEMBL994993)	Inhibition of TEL fused Lyn-mediated proliferation of TEL-Lyn transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50027178	3	ChEMBL_535874 (CHEMBL994994)	Inhibition of TEL fused Src-mediated proliferation of TEL-Src transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50027178	4	ChEMBL_535875 (CHEMBL994995)	Inhibition of TEL fused KDR-mediated proliferation of TEL-KDR transformed mouse BA/F3 cells after 48 hrs by bright-glo luciferase assay
50027179	1	ChEMBL_536049 (CHEMBL991619)	Inhibition of human CYP3A4 by microtiter plate assays using PPR substrate
50027179	2	ChEMBL_535882 (CHEMBL995002)	Inhibition of human CYP3A4 by microtiter plate assays using N-N,diethyl-formamide as substrate
50027183	1	ChEMBL_535893 (CHEMBL983534)	Inhibition of rabbit muscle glycogen phosphorylase b
50046749	4	ChEBML_1523543	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50027188	5	ChEMBL_492708 (CHEMBL938508)	Displacement of [125I]IDAM from SERT in rat brain cortex membrane
50027188	6	ChEMBL_492709 (CHEMBL938509)	Displacement of [125I]IPT from SERT in rat brain cortex membrane
50027188	3	ChEMBL_492710 (CHEMBL938510)	Displacement of [3H]paroxetine from SERT in rat brain cortex membrane
50027188	2	ChEMBL_492711 (CHEMBL938511)	Displacement of [3H]GBR-12935 from human cloned DAT expressed in HEK293 cells
50027188	1	ChEMBL_492712 (CHEMBL938512)	Displacement of [3H]nisoxetine from human cloned NET expressed in HEK293 cells
50027189	1	ChEMBL_535895 (CHEMBL983536)	Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter
50027193	1	ChEMBL_539041 (CHEMBL1035715)	Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production
50046749	5	ChEBML_1523544	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50046750	1	ChEMBL_1523572 (CHEMBL3631371)	Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay
50046751	1	ChEMBL_1523758 (CHEMBL3631996)	Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde level after 10 mins by fluorescence assay
50027198	6	ChEMBL_535911 (CHEMBL984463)	Antagonist activity at human recombinant adrenergic alpha2A receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization by FLIPR
50027198	5	ChEMBL_535909 (CHEMBL983550)	Antagonist activity at human recombinant adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization by FLIPR
50027201	3	ChEMBL_535967 (CHEMBL987141)	Inhibition of CK1delta
50027201	2	ChEMBL_535968 (CHEMBL987142)	Inhibition of CK1gamma1
50027201	1	ChEMBL_535969 (CHEMBL987143)	Inhibition of CK1alpha
50027201	11	ChEMBL_535970 (CHEMBL987144)	Inhibition of HIPK2
50027201	9	ChEMBL_535971 (CHEMBL987145)	Inhibition of PIM1
50027201	10	ChEMBL_535972 (CHEMBL987146)	Inhibition of DYRK1a
50027201	8	ChEMBL_535974 (CHEMBL987148)	Inhibition of CSK
50027201	5	ChEMBL_535975 (CHEMBL987149)	Inhibition of Lyn
50027201	4	ChEMBL_535976 (CHEMBL987150)	Inhibition of Syk
50027201	7	ChEMBL_535977 (CHEMBL987151)	Inhibition of Fgr
50027202	1	ChEMBL_536054 (CHEMBL994221)	Binding affinity to Lck assessed as photolabeling efficiency by Western blot analysis
50027202	2	ChEMBL_536053 (CHEMBL994220)	Inhibition of Lck by luciferase based assay
50046752	1	ChEMBL_1523760 (CHEMBL3631998)	Inhibition of jack bean urease using urea as substrate assessed as ammonia production incubated for 15 mins by indophenol method
50046753	1	ChEMBL_1523766 (CHEMBL3632106)	Displacement of [3H]-1alpha,25-dihydroxyvitamin D3 from recombinant human VDR LBD expressed in Escherichia coli BL21 (DE3) pLysS after 16 hrs
50046754	1	ChEMBL_1523900 (CHEMBL3630045)	Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 60 mins and TCEP absent during reaction by FRET assay
50046754	2	ChEMBL_1523899 (CHEMBL3630044)	Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 30 mins and TCEP absent during reaction by FRET assay
50046754	3	ChEMBL_1523898 (CHEMBL3630043)	Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 60 mins and TCEP present during reaction by FRET assay
50046754	4	ChEMBL_1523897 (CHEMBL3630042)	Inhibition of Clostridium botulinum BoNT/A light chain 448 residue coincubated with TCEP for 30 mins and TCEP present during reaction by FRET assay
50046754	5	ChEMBL_1523896 (CHEMBL3630041)	Inhibition of Clostridium botulinum truncated-BoNT/A light chain 424 residue preincubated for 30 mins by FRET assay
50046754	6	ChEMBL_1523783 (CHEMBL3632123)	Inhibition of Clostridium botulinum BoNT/A light chain 448 residue preincubated for 30 mins by FRET assay
50046755	1	ChEMBL_1524081 (CHEMBL3630866)	Inhibition of human full-length PDE4B1 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	2	ChEMBL_1524080 (CHEMBL3630865)	Inhibition of core catalytic domains of human PDE4 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	3	ChEMBL_1524106 (CHEMBL3631047)	Inhibition of human PDE3B using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	4	ChEMBL_1524107 (CHEMBL3631048)	Inhibition of human PDE5A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	5	ChEMBL_1524108 (CHEMBL3631049)	Inhibition of human PDE6C using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	6	ChEMBL_1524109 (CHEMBL3631050)	Inhibition of human PDE7A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	7	ChEMBL_1524110 (CHEMBL3631051)	Inhibition of human PDE8A1 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	8	ChEMBL_1524111 (CHEMBL3631052)	Inhibition of human PDE9A2 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	9	ChEMBL_1524112 (CHEMBL3631053)	Inhibition of human PDE10A2 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	10	ChEMBL_1524113 (CHEMBL3631054)	Inhibition of human PDE11A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	11	ChEMBL_1524105 (CHEMBL3631046)	Inhibition of human PDE2A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	12	ChEMBL_1524104 (CHEMBL3631045)	Inhibition of human PDE1A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046755	13	ChEMBL_1524082 (CHEMBL3630867)	Inhibition of human full-length PDE4D7 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay
50046756	1	ChEMBL_1524114 (CHEMBL3631055)	Inhibition of human EGFR after 1 hr using [gamma-32P]ATP
50046756	2	ChEMBL_1524118 (CHEMBL3631059)	Inhibition of Src (unknown origin) by radiometric protein kinase assay
50046756	3	ChEMBL_1524119 (CHEMBL3631060)	Inhibition of VEGFR1 (unknown origin) by radiometric protein kinase assay
50046756	4	ChEMBL_1524120 (CHEMBL3631061)	Inhibition of VEGFR3 (unknown origin) by radiometric protein kinase assay
50046756	5	ChEMBL_1524121 (CHEMBL3631062)	Inhibition of PDGFR-beta (unknown origin) by radiometric protein kinase assay
50046756	6	ChEMBL_1524122 (CHEMBL3631063)	Inhibition of c-Kit (unknown origin) by radiometric protein kinase assay
50046756	7	ChEMBL_1524123 (CHEMBL3631064)	Inhibition of c-Kit (unknown origin)
50046756	8	ChEMBL_1524124 (CHEMBL3631065)	Inhibition of Abl (unknown origin)
50046756	9	ChEMBL_1524125 (CHEMBL3631066)	Inhibition of PDGFR (unknown origin)
50046756	10	ChEMBL_1524117 (CHEMBL3631058)	Inhibition of Raf (unknown origin) by radiometric protein kinase assay
50046756	11	ChEMBL_1524116 (CHEMBL3631057)	Inhibition of c-MET (unknown origin) by radiometric protein kinase assay
50046756	12	ChEMBL_1524115 (CHEMBL3631056)	Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP
50027211	2	ChEMBL_539728 (CHEMBL1032354)	Displacement of [N-methyl-3H]GW0438 from human biotinylated LXRalpha ligand binding domain
50027211	3	ChEMBL_539734 (CHEMBL1032360)	Inhibition of human PXR
50046757	1	ChEMBL_1524126 (CHEMBL3631067)	Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate assessed as p-nitrophenol formation after 30 mins by multiplate reader analysis
50046758	1	ChEMBL_1524132 (CHEMBL3631217)	Inhibition of human Pim-3 using RSRHSSYPAGT as substrate measured for 30 mins in presence of [gamma-33P]-ATP
50046758	2	ChEMBL_1524258 (CHEMBL3631734)	Inhibition of Pim-1 (unknown origin)
50046758	3	ChEMBL_1524259 (CHEMBL3631735)	Inhibition of Pim-3 (unknown origin)
50046758	4	ChEMBL_1524129 (CHEMBL3631070)	Inhibition of human Pim-1 using RSRHSSYPAGT as substrate measured for 30 mins in presence of [gamma-33P]-ATP
50046759	1	ChEMBL_1524261 (CHEMBL3631737)	Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over 3 mins by spectrophotometric analysis
50046759	2	ChEMBL_1524260 (CHEMBL3631736)	Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human erythrocytes using 4-nitrophenylacetate as substrate measured over 3 mins by spectrophotometric analysis
50046759	3	ChEMBL_1524262 (CHEMBL3631738)	Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins by spectrophotometric analysis
50046759	4	ChEMBL_1524263 (CHEMBL3631739)	Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins by spectrophotometric analysis
50046760	1	ChEMBL_1524266 (CHEMBL3631742)	Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins by spectrophotometer analysis
50046761	1	ChEMBL_1524294 (CHEMBL3631887)	Inhibition of ROCK2 (unknown origin) after 4 hrs using 1 uM STK2 as substrate
50046761	2	ChEMBL_1524293 (CHEMBL3631886)	Inhibition of LIMK1 (unknown origin) using 1 uM cofilin as substrate
50046762	1	ChEMBL_1524425 (CHEMBL3632433)	Inhibition of Trypanosoma cruzi Cruzain using Z-FR-AMC as substrate by fluorescence assay
50046763	1	ChEMBL_1524433 (CHEMBL3632441)	Competitive binding affinity to Mcl-1 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50046763	2	ChEMBL_1524431 (CHEMBL3632439)	Competitive binding affinity to Bcl-2 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50046763	3	ChEMBL_1524432 (CHEMBL3632440)	Competitive binding affinity to Bcl-XL (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50027213	3	ChEMBL_539774 (CHEMBL1034992)	Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells
50027213	2	ChEMBL_539775 (CHEMBL1034993)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells
50027213	1	ChEMBL_539776 (CHEMBL1034994)	Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells
50027213	4	ChEMBL_539777 (CHEMBL1034995)	Agonist activity at 5HT7 receptor assessed as relaxation of substance P-induced Dunkin-Hartley guinea pig ileum contraction
50027215	1	ChEMBL_534708 (CHEMBL982797)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50027215	3	ChEMBL_534709 (CHEMBL982798)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane
50027215	4	ChEMBL_534710 (CHEMBL982799)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50027215	5	ChEMBL_534705 (CHEMBL982794)	Antagonist activity against mu opioid receptor in guinea pig ileum assessed as effect on TAPP-induced response
50027215	2	ChEMBL_534707 (CHEMBL982796)	Antagonist activity against delta opioid receptor in mouse vas deference assessed as effect on DPDPE-induced response
50027216	3	ChEMBL_534713 (CHEMBL982802)	Inhibition of Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay
50027216	4	ChEMBL_534711 (CHEMBL982800)	Inhibition of human purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay
50027216	2	ChEMBL_534712 (CHEMBL982801)	Inhibition of human purine nucleoside phosphorylase by xanthine-oxidase coupled assay
50027216	1	ChEMBL_534715 (CHEMBL982804)	Inhibition of Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay
50027217	1	ChEMBL_534747 (CHEMBL985482)	Inhibition of cloned adrenergic Alpha-1D receptor
50027217	2	ChEMBL_534749 (CHEMBL985484)	Displacement of [3H]MK912 from human cloned adrenergic alpha-2a receptor
50027217	3	ChEMBL_534751 (CHEMBL985486)	Displacement of [125I]-APT from histamine H2 receptor in brain of guinea pig
50027217	4	ChEMBL_534753 (CHEMBL985488)	Displacement of [3H]SMT from histamine H3 receptor in forebrain of rat
50046764	1	ChEMBL_1525142 (CHEMBL3635480)	Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substrate
50046765	1	ChEMBL_1525143 (CHEMBL3635481)	Inhibition of AChE (unknown origin)
50046765	2	ChEMBL_1525144 (CHEMBL3635482)	Inhibition of human AChE
50046766	1	ChEMBL_1525150 (CHEMBL3635488)	Displacement of [3H]-5-HT from human 5HT-1D receptor expressed in CHO cells
50027228	1	ChEMBL_496540 (CHEMBL996817)	Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by transactivation assay
50027228	2	ChEMBL_496539 (CHEMBL996816)	Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by transactivation assay
50046766	2	ChEMBL_1525151 (CHEMBL3635489)	Displacement of [3H]-5-HT from human 5HT-1B receptor expressed in CHO cells
50046766	3	ChEMBL_1525154 (CHEMBL3635492)	Competitive inhibition of pig brain GABA aminotransferase by Dixon/Cornish-Bowden plot analysis in presence of GABA
50046766	4	ChEMBL_1525155 (CHEMBL3635493)	Inhibition of human Thrombin using H-D-Phe-Pip-Arg-paranitroanilide/methylsulfonyl-D-Leu-Gly-Arg-paranitroanilide as substrate by spectrophotometric analysis
50046766	5	ChEMBL_1525156 (CHEMBL3635494)	Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition measured every 10 secs for 60 secs by spectrophotometric analysis
50027231	1	ChEMBL_536099 (CHEMBL995045)	Inhibition of CYP3A4
50046766	6	ChEMBL_1525157 (CHEMBL3635495)	Inhibition of recombinant human Tissue factor/factor 7a using N-methylsulfonyl-D-phe-gly-arg-p-nitroaniline as substrate assessed as release of p-nitroaniline after 60 mins
50046766	7	ChEMBL_1525158 (CHEMBL3635496)	Inhibition of Thrombin (unknown origin)
50046766	8	ChEMBL_1525159 (CHEMBL3635497)	Inhibition of DPP-4 (unknown origin)
50046766	9	ChEMBL_1525160 (CHEMBL3635498)	Inhibition of FKBP12 (unknown origin)-mediated rotamase activity by spectrophotometric analysis
50046766	10	ChEMBL_1525147 (CHEMBL3635485)	Inhibition of human plasma DPP-4 using Gly-Pro-4-methylcoumaryl-7-amide as substrate assessed as formation of 7-amino-4-methylcoumarin after 2 hrs by fluorescence plate reader analysis
50027231	6	ChEMBL_536100 (CHEMBL995046)	Inhibition of CYP2D6
50046766	11	ChEMBL_1525146 (CHEMBL3635484)	Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-cholesteryl ester from HDL donor particles to LDL acceptor particles
50027231	4	ChEMBL_536101 (CHEMBL995047)	Inhibition of CYP2C9
50046766	12	ChEMBL_1525163 (CHEMBL3635501)	Displacement of [3H]CP55940 from mouse brain membrane CB1 receptor after 60 mins by liquid scintillation counting analysis
50046766	13	ChEMBL_1525164 (CHEMBL3635502)	Competitive inhibition of recombinant Trypanosoma cruzi Trypanothione reductase by photometric assay
50046766	14	ChEMBL_1525161 (CHEMBL3635499)	Antagonist activity at human ETA receptor expressed in CHO cells assessed as inhibition of ET-1-induced Ca2+ efflux from endoplasmic reticulum into cytosol by fluo-4 dye-based FLIPR assay
50046767	1	ChEMBL_1525308 (CHEMBL3636020)	Inhibition of HDAC (unknown origin)
50046768	1	ChEMBL_1525346 (CHEMBL3636058)	Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay
50027236	4	ChEMBL_536132 (CHEMBL983586)	Agonist activity at muscarinic M5 receptor
50027236	6	ChEMBL_536125 (CHEMBL983579)	Agonist activity at muscarinic M1 receptor
50027236	5	ChEMBL_536127 (CHEMBL983581)	Inhibition of dopamine D2 receptor
50027236	1	ChEMBL_536129 (CHEMBL983583)	Agonist activity at muscarinic M2 receptor
50027236	3	ChEMBL_536130 (CHEMBL983584)	Agonist activity at muscarinic M3 receptor
50027236	2	ChEMBL_536131 (CHEMBL983585)	Agonist activity at muscarinic M4 receptor
50027240	1	ChEMBL_538751 (CHEMBL1024870)	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay
50027245	1	ChEMBL_496803 (CHEMBL1008816)	Displacement of [3H]BRL49653 from PPARgamma ligand binding domain by scintillation proximity assay
50046769	1	ChEMBL_1525354 (CHEMBL3636171)	Inhibition of GST-tagged human KDR expressed in Sf21 cells using 4:1 polyglutamic acid/tyrosine substrate incubated for 15 mins by scintillation counting method
50046769	2	ChEMBL_1525353 (CHEMBL3636170)	Inhibition of VEGFR2 (unknown origin)
50046769	3	ChEMBL_1525352 (CHEMBL3636169)	Inhibition of His6-tagged KDR 789 to 1354 residues (unknown origin) using biotin-Ahx-AEEEYFFLA-amide substrate incubated for 60 mins by HTRF assay
50046769	4	ChEMBL_1525349 (CHEMBL3636166)	Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay
50046770	1	ChEMBL_1525355 (CHEMBL3636172)	Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 30 mins
50027247	2	ChEMBL_536375 (CHEMBL991596)	Inhibition of CYP3A4
50046771	1	ChEMBL_1525504 (CHEMBL3636857)	Inhibition of CYP1A2 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition
50046771	2	ChEMBL_1525505 (CHEMBL3636858)	Inhibition of CYP2C9 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition
50046771	3	ChEMBL_1525506 (CHEMBL3636859)	Inhibition of CYP2C19 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition
50046771	4	ChEMBL_1525507 (CHEMBL3636860)	Inhibition of CYP2D6 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition
50046771	5	ChEMBL_1525508 (CHEMBL3636861)	Inhibition of CYP3A4 (unknown origin) using luciferin tagged substrate preincubated for 10 mins before substrate addition
50046771	6	ChEMBL_1525509 (CHEMBL3636862)	Displacement of [3H]astemizole from human ERG potassium channel expressed in HEK293 cell membrane after 1 hr
50046771	7	ChEMBL_1525487 (CHEMBL3636685)	Displacement of [3H]PK11195 from TSPO receptor in Sprague-Dawley rat cerebral cortex membrane by radiometric competitive assay
50046772	1	ChEMBL_1525511 (CHEMBL3636864)	Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay
50046772	2	ChEMBL_1525512 (CHEMBL3636865)	Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay
50046772	3	ChEMBL_1525513 (CHEMBL3636866)	Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay
50027250	1	ChEMBL_496848 (CHEMBL998517)	Inhibition of human IMPDH2
50027250	2	ChEMBL_496847 (CHEMBL998516)	Inhibition of human IMPDH1
50027251	1	ChEMBL_496853 (CHEMBL998522)	Agonist-enhancing activity at TRPV1 receptor in E15 rat primary dorsal root ganglion cells assessed as capsaicin-induced 45Ca2+ influx by microplate liquid scintillation counter
50027251	2	ChEMBL_496855 (CHEMBL998524)	Binding affinity to human adenosine A3 receptor
50027254	1	ChEMBL_539146 (CHEMBL1023823)	Inhibition of rabbit cathepsin K
50027256	2	ChEMBL_539187 (CHEMBL1024691)	Binding affinity to human PSD95 domain PDZ3 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay
50027256	4	ChEMBL_539185 (CHEMBL1024689)	Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay
50027256	1	ChEMBL_539186 (CHEMBL1024690)	Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay
50027256	3	ChEMBL_539188 (CHEMBL1024692)	Binding affinity to human PSD95 domain PDZ1-2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay
50027257	4	ChEMBL_539190 (CHEMBL1024694)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50027257	3	ChEMBL_539461 (CHEMBL1028957)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cells
50027257	1	ChEMBL_539465 (CHEMBL1028961)	Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells
50027257	2	ChEMBL_539463 (CHEMBL1028959)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells
50046772	4	ChEMBL_1525514 (CHEMBL3636867)	Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay
50046772	5	ChEMBL_1525517 (CHEMBL3636870)	Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay
50046773	1	ChEMBL_1525531 (CHEMBL3637038)	Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assay
50046773	2	ChEMBL_1525535 (CHEMBL3637042)	Binding affinity to the Keap1 (unknown origin) by surface plasmon resonance assay
50046774	1	ChEBML_1525651	Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50046775	1	ChEMBL_1526987 (CHEMBL3637447)	Inhibition of IRAK4 in human PBMC
50046775	2	ChEMBL_1526986 (CHEMBL3637446)	Inhibition of IRAK4 (unknown origin)
50027260	1	ChEMBL_496860 (CHEMBL998529)	Inhibition of ribonucleolytic activity of RNase A by agarose gel based assay
50027262	1	ChEMBL_536395 (CHEMBL992466)	Activity at rat mGluR2 receptor expressed in HEK cells by FLIPR assay in presence of glutamate
50027265	5	ChEMBL_536407 (CHEMBL992478)	Inhibition of CDK2
50027265	6	ChEMBL_536589 (CHEMBL988879)	Inhibition of Cyclin E/CDK2
50027265	3	ChEMBL_536590 (CHEMBL988880)	Inhibition of Cyclin A/CDK2
50027265	4	ChEMBL_536591 (CHEMBL988881)	Inhibition of Cyclin B1/CDK1
50027265	1	ChEMBL_536592 (CHEMBL988882)	Inhibition of Cyclin T/CDK9
50027265	2	ChEMBL_536593 (CHEMBL988883)	Inhibition of Cyclin D3/CDK6
50027265	7	ChEMBL_536408 (CHEMBL992479)	Inhibition of CDK4
50027268	13	ChEMBL_536852 (CHEMBL991662)	Inhibition of PI3Kalpha in presence of 25 uM ATP
50027268	16	ChEMBL_536853 (CHEMBL991663)	Inhibition of AKT in presence of 20 uM ATP
50027268	15	ChEMBL_536854 (CHEMBL991664)	Inhibition of mTOR in presence of 100 uM ATP
50027268	8	ChEMBL_536855 (CHEMBL991665)	Inhibition of Tpl2 in presence of 50 uM ATP
50027268	7	ChEMBL_536856 (CHEMBL991666)	Inhibition of MK2 in presence of 1 uM ATP
50027268	9	ChEMBL_536861 (CHEMBL991671)	Inhibition of MEK1-mediated ERK phosphorylation in human WM266-4 cells after 2.5 hrs
50027268	6	ChEMBL_536668 (CHEMBL995059)	Inhibition of MEK1 by raf/MEK1/MAPK coupled assay
50027268	12	ChEMBL_536843 (CHEMBL991653)	Inhibition of EGFR in presence of 100 uM ATP
50027268	1	ChEMBL_536845 (CHEMBL991655)	Inhibition of Src in presence of 100 uM ATP
50027268	11	ChEMBL_536666 (CHEMBL995057)	Inhibition of Lyn in presence of 20 uM ATP
50027268	2	ChEMBL_536846 (CHEMBL991656)	Inhibition of KDR in presence of 1 uM ATP
50027268	3	ChEMBL_536847 (CHEMBL991657)	Inhibition of PDK1 in presence of 100 uM ATP
50027268	4	ChEMBL_536848 (CHEMBL991658)	Inhibition of B-raf in presence of 100 uM ATP
50027268	5	ChEMBL_536849 (CHEMBL991659)	Inhibition of IKK-beta in presence of 2 uM ATP
50027268	10	ChEMBL_536850 (CHEMBL991660)	Inhibition of P70S6 in presence of 2 uM ATP
50027268	14	ChEMBL_536851 (CHEMBL991661)	Inhibition of PKCtheta in presence of 6 uM ATP
50027271	1	ChEMBL_539504 (CHEMBL1032313)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50046776	1	ChEMBL_1527068 (CHEMBL3637759)	Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by IMAP TR-FRET analysis
50027275	2	ChEMBL_539532 (CHEMBL1032341)	Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]N-Acetylglucosamine after 90 mins
50046776	2	ChEMBL_1527069 (CHEMBL3637760)	Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by IMAP TR-FRET analysis
50027277	4	ChEMBL_539794 (CHEMBL1035787)	Inhibition of CYP3A4 in human liver microsomes
50027277	2	ChEMBL_539806 (CHEMBL1035799)	Inhibition of human recombinant GST-tagged p38beta-induced ATF2 phosphorylation
50027277	6	ChEMBL_539791 (CHEMBL1035784)	Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation
50027277	3	ChEMBL_539811 (CHEMBL1035804)	Inhibition of PDGFRbeta
50027277	5	ChEMBL_539812 (CHEMBL1024808)	Inhibition of c-KIT
50027277	7	ChEMBL_539843 (CHEMBL1024839)	Inhibition of human ERG by manual electrophysiology
50027277	1	ChEMBL_539795 (CHEMBL1035788)	Inhibition of CYP2D6
50027278	6	ChEMBL_534761 (CHEMBL986285)	Inhibition of Lyn
50027278	1	ChEMBL_539857 (CHEMBL1024853)	Inhibition of p38alpha
50027278	8	ChEMBL_539858 (CHEMBL1024854)	Inhibition of KDR
50027278	7	ChEMBL_539859 (CHEMBL1024855)	Inhibition of Lck
50027278	5	ChEMBL_539860 (CHEMBL1024856)	Inhibition of cKit
50027278	3	ChEMBL_539861 (CHEMBL1025669)	Inhibition of JNK1
50027278	4	ChEMBL_539862 (CHEMBL1025670)	Inhibition of JNK2
50027278	2	ChEMBL_539863 (CHEMBL1025671)	Inhibition of JNK3
50027279	1	ChEMBL_534768 (CHEMBL986292)	Inhibition of human plasma BuchE by Ellman's method
50027279	2	ChEMBL_534770 (CHEMBL986294)	Inhibition of electric eel AchE by Ellman's method
50027279	3	ChEMBL_534774 (CHEMBL986298)	Inhibition of human plasma BuchE after 60 mins by carbamylation assay
50027279	4	ChEMBL_534772 (CHEMBL986296)	Inhibition of human erythrocyte AchE by Ellman's method
50027280	11	ChEMBL_538846 (CHEMBL1033089)	Inhibition of human ERG
50027280	5	ChEMBL_538855 (CHEMBL1033098)	Inhibition of 5HT4 receptor
50027280	3	ChEMBL_538856 (CHEMBL1033099)	Inhibition of muscarinic M2 receptor
50027280	9	ChEMBL_538857 (CHEMBL1033100)	Inhibition of histamine H1 receptor
50027280	10	ChEMBL_538858 (CHEMBL1033101)	Inhibition of human T-type Cav3.1 expressed in HEK293 cells at -100mV holding potential by whole cell patch clamp assay
50027280	4	ChEMBL_538845 (CHEMBL1033088)	Inhibition of T-type calcium channel alpha1I by FLIPR
50027284	6	ChEMBL_496868 (CHEMBL998537)	Agonist activity at recombinant BRS-3 receptor expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay
50027284	3	ChEMBL_496870 (CHEMBL998539)	Binding affinity to gastrin releasing peptide receptor
50027284	4	ChEMBL_496871 (CHEMBL998540)	Binding affinity to neuromedin B receptor
50027284	1	ChEMBL_496872 (CHEMBL998541)	Binding affinity to BRS-3 receptor
50027284	2	ChEMBL_496873 (CHEMBL998542)	Agonist activity at recombinant gastrin releasing peptide receptor expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay
50027284	5	ChEMBL_496874 (CHEMBL998543)	Agonist activity at recombinant neuromedin B receptor expressed in baculovirus-transduced HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay
50027288	2	ChEMBL_537138 (CHEMBL989798)	Inhibition of human sPLA2 group 10
50027288	3	ChEMBL_537139 (CHEMBL989799)	Inhibition of mouse sPLA2 group 10
50027288	9	ChEMBL_537140 (CHEMBL989800)	Inhibition of rabbit sPLA2 group 2A
50027288	1	ChEMBL_537137 (CHEMBL989797)	Inhibition of human sPLA2 group 2A
50027288	7	ChEMBL_537136 (CHEMBL989796)	Inhibition of mouse sPLA2 group 2A
50027288	6	ChEMBL_537135 (CHEMBL989795)	Inhibition of rat sPLA2 group 2A
50027288	5	ChEMBL_537134 (CHEMBL989794)	Inhibition of human sPLA2 group 5
50027288	4	ChEMBL_537133 (CHEMBL989793)	Inhibition of mouse sPLA2 group 5
50027288	10	ChEMBL_537141 (CHEMBL989801)	Inhibition of sPLA2 group 2A
50027288	8	ChEMBL_537142 (CHEMBL989802)	Inhibition of sPLA2 group 10
50027289	4	ChEMBL_497142 (CHEMBL1001222)	Inhibition of GSK3-beta
50027289	2	ChEMBL_497143 (CHEMBL1001223)	Inhibition of c-Raf
50027289	10	ChEMBL_497146 (CHEMBL1001226)	Inhibition of EGFR
50027289	11	ChEMBL_497147 (CHEMBL1001227)	Inhibition of AKT3
50027289	12	ChEMBL_497148 (CHEMBL1001228)	Inhibition of CDK2/CyclinA
50027289	9	ChEMBL_497149 (CHEMBL1001229)	Inhibition of C-FMS
50027289	7	ChEMBL_497150 (CHEMBL1001230)	Inhibition of ERBB2
50027289	6	ChEMBL_497151 (CHEMBL1001231)	Inhibition of ERBB4
50027289	3	ChEMBL_497152 (CHEMBL1001232)	Inhibition of PDHK4
50027289	1	ChEMBL_497153 (CHEMBL1001233)	Inhibition of TIE2
50027289	5	ChEMBL_497154 (CHEMBL1001234)	Inhibition of VEGFR2
50027289	8	ChEMBL_496886 (CHEMBL998555)	Inhibition of GST-fused p38alpha expressed in Escherichia coli
50046776	3	ChEMBL_1527070 (CHEMBL3637761)	Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by IMAP TR-FRET analysis
50046776	4	ChEMBL_1527073 (CHEMBL3637764)	Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 45 mins by ADP-Glo kinase assay
50046776	5	ChEMBL_1527074 (CHEMBL3637765)	Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by IMAP TR-FRET analysis
50046776	6	ChEMBL_1527078 (CHEMBL3637769)	Inhibition of human Mnk2
50046777	1	ChEMBL_1527083 (CHEMBL3635223)	Transactivation of full length human PXR transfected in human HepG2 cells after 18 hrs by luciferase reporter assay relative to rifaximin
50046777	2	ChEMBL_1527084 (CHEMBL3635224)	Antagonist activity at full length human PXR transfected in human HepG2 cells assessed as reduction in rifaximin-induced receptor transactivation after 18 hrs by luciferase reporter assay
50046777	3	ChEMBL_1527093 (CHEMBL3635233)	Antagonist activity at PXR (unknown origin)
50046778	1	ChEMBL_1524850 (CHEMBL3636832)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay
50027291	1	ChEMBL_537150 (CHEMBL989810)	Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity
50027291	3	ChEMBL_537151 (CHEMBL989811)	Activation of Arabidopsis thaliana AHK3 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity
50027291	2	ChEMBL_537152 (CHEMBL989812)	Inhibition of sArabidopsis thaliana CKX2 expressed in Saccharomyces cerevisiae 23344c ura-
50046778	2	ChEMBL_1524851 (CHEMBL3636833)	Inhibition of human carbonic anhydrase 9
50046778	3	ChEMBL_1524848 (CHEMBL3636830)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay
50027294	5	ChEMBL_537168 (CHEMBL992544)	Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay
50046778	4	ChEMBL_1524849 (CHEMBL3636831)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay
50027294	2	ChEMBL_537173 (CHEMBL992549)	Inhibition of Lyn
50027294	1	ChEMBL_537174 (CHEMBL992550)	Inhibition of Tec kinase
50027294	3	ChEMBL_537175 (CHEMBL992551)	Inhibition of TXK
50027296	1	ChEMBL_537181 (CHEMBL992557)	Inhibition of Sprague-Dawley rat MGL
50027297	1	ChEMBL_497163 (CHEMBL1002063)	Inhibition of human Caco-2 cells-derived DPP4
50046778	5	ChEMBL_1524847 (CHEMBL3636829)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay
50027298	4	ChEMBL_537189 (CHEMBL992565)	Inhibition of Lyn kinase
50027298	2	ChEMBL_537199 (CHEMBL992575)	Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay
50027298	1	ChEMBL_537187 (CHEMBL992563)	Inhibition of ITK by DELFIA assay
50027299	1	ChEMBL_497169 (CHEMBL1002069)	Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry
50027299	4	ChEMBL_497170 (CHEMBL1002070)	Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry
50027299	5	ChEMBL_497171 (CHEMBL1002071)	Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot
50027299	2	ChEMBL_497172 (CHEMBL1002072)	Inhibition of human carbonic anhydrase 1 esterase activity by uncompetitive Lineweaver-Burke plot
50027299	3	ChEMBL_497173 (CHEMBL1002073)	Inhibition of human carbonic anhydrase 1 esterase activity by competitive Lineweaver-Burke plot
50027299	7	ChEMBL_497174 (CHEMBL1002074)	Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot
50027299	6	ChEMBL_497176 (CHEMBL1002076)	Inhibition of human carbonic anhydrase 2 esterase activity by competitive Lineweaver-Burke plot
50027299	8	ChEMBL_497175 (CHEMBL1002075)	Inhibition of human carbonic anhydrase 2 esterase activity by uncompetitive Lineweaver-Burke plot
50027306	2	ChEMBL_538924 (CHEMBL1033969)	Displacement of fluorescent pan PPAR agonist form GST-tagged human PPARgamma ligand binding domain by FRET assay
50027306	3	ChEMBL_538923 (CHEMBL1033968)	Displacement of fluorescent pan PPAR agonist form GST-tagged human PPARalpha ligand binding domain by FRET assay
50027306	1	ChEMBL_538925 (CHEMBL1034835)	Displacement of fluorescent pan PPAR agonist form GST-tagged human PPARdelta ligand binding domain by FRET assay
50027307	1	ChEMBL_539195 (CHEMBL1024699)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane by liquid scintillation counting
50027307	2	ChEMBL_539196 (CHEMBL1024700)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane by liquid scintillation counting
50027307	3	ChEMBL_539200 (CHEMBL1024704)	Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cells by [35S]GTPgammaS binding assay
50027307	7	ChEMBL_539202 (CHEMBL1024706)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50027307	6	ChEMBL_539203 (CHEMBL1024707)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated muscle contraction
50046779	1	ChEMBL_1525032 (CHEMBL3637630)	Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting
50046779	2	ChEMBL_1525033 (CHEMBL3637631)	Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting
50027309	1	ChEMBL_539215 (CHEMBL1024719)	Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay
50027313	5	ChEMBL_497468 (CHEMBL1006237)	Inhibition of ITK by DELPHIA assay
50027313	6	ChEMBL_497479 (CHEMBL1006248)	Inhibition of CYP1A2
50027313	4	ChEMBL_497480 (CHEMBL1006249)	Inhibition of CYP2C9
50027313	3	ChEMBL_497481 (CHEMBL1006250)	Inhibition of CYP2C19
50027313	2	ChEMBL_497482 (CHEMBL1006251)	Inhibition of CYP2D6
50027313	1	ChEMBL_497483 (CHEMBL1006252)	Inhibition of CYP3A4
50046779	3	ChEMBL_1525034 (CHEMBL3637632)	Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting
50046779	4	ChEMBL_1525041 (CHEMBL3637639)	Agonist activity at kappa opioid receptor in human HEK293 cells after 30 mins by [35S]GTPgammaS binding assay
50046779	5	ChEMBL_1525031 (CHEMBL3637629)	Binding affinity to kappa opioid receptor (unknown origin)
50046780	1	ChEMBL_1525203 (CHEMBL3635514)	Inhibition of recombinant N-terminal GST-tagged human PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 mins by scintillation proximity assay
50027318	4	ChEMBL_497517 (CHEMBL995892)	Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay
50027318	3	ChEMBL_497518 (CHEMBL995893)	Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay
50027318	1	ChEMBL_497520 (CHEMBL995895)	Inhibition of Kca2.1 channel expressed in HEK293 cells by thallium flux assay
50027318	2	ChEMBL_497521 (CHEMBL995896)	Inhibition of Kca2.2 channel expressed in HEK293 cells by thallium flux assay
50046780	2	ChEMBL_1525202 (CHEMBL3635513)	Inhibition of rat PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 mins by scintillation proximity assay
50046780	3	ChEMBL_1525206 (CHEMBL3635517)	Inhibition of mouse PDE10A using [3H]cAMP/cAMP as substrate assessed as hydrolysis of [3H]cAMP to [3H]AMP after 30 mins by scintillation proximity assay
50046780	4	ChEMBL_1525542 (CHEMBL3637049)	Binding affinity to human 5HT2b
50046780	5	ChEMBL_1525543 (CHEMBL3637050)	Binding affinity to LTD4 (unknown origin)
50046780	6	ChEMBL_1525544 (CHEMBL3637051)	Binding affinity to dopamine receptor (unknown origin)
50046780	7	ChEMBL_1525545 (CHEMBL3637052)	Antagonist activity at human 5HT2b
50046780	8	ChEMBL_1525555 (CHEMBL3637062)	Binding affinity to norepinephrine transporter (unknown origin)
50046781	1	ChEMBL_1525565 (CHEMBL3637191)	Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate
50046781	2	ChEMBL_1525566 (CHEMBL3637192)	Inhibition of human recombinant matriptase by fluorescence based assay using 20 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate
50046781	3	ChEMBL_1525567 (CHEMBL3637193)	Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate
50046781	4	ChEMBL_1525569 (CHEMBL3637195)	Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate
50046781	5	ChEMBL_1525570 (CHEMBL3637196)	Inhibition of human factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate
50046781	6	ChEMBL_1525571 (CHEMBL3637197)	Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate
50046781	7	ChEMBL_1525572 (CHEMBL3637198)	Inhibition of human plasmin by fluorescence based assay using pyroGlu-Phe-Lys-pNA.HCl as substrate
50046781	8	ChEMBL_1525574 (CHEMBL3637200)	Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate
50027330	1	ChEMBL_539615 (CHEMBL1025620)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosome membrane
50027330	2	ChEMBL_539616 (CHEMBL1025621)	Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membrane
50027334	11	ChEMBL_537429 (CHEMBL992619)	Agonist activity at human TLR7 by luciferase reporter gene assay
50027334	6	ChEMBL_537433 (CHEMBL989788)	Antagonist activity at human TLR9 expressed in HEK293 cells assessed as blockade of CpG oligonucleotide-induced immune response by NF-kappaB luciferase reporter gene assay
50027334	10	ChEMBL_537439 (CHEMBL990604)	Inhibition of human TLR4-mediated cytokine production in mouse macrophages
50027334	7	ChEMBL_537430 (CHEMBL992620)	Agonist activity at TLR7 in human PBMC cells assessed as stimulation of interferon release
50027334	1	ChEMBL_537436 (CHEMBL990601)	Antagonist activity at human TLR4 expressed in HE293 cells by ELAM1-luciferase reporter gene assay
50027334	3	ChEMBL_537434 (CHEMBL989789)	Antagonist activity at human TLR2 expressed in HE293 cells co-transfected with pELAM by luciferase reporter gene assay
50027334	4	ChEMBL_537435 (CHEMBL990600)	Inhibition of TLR2-mediated IL8 secretion in human THP1 cells
50046782	1	ChEMBL_1525590 (CHEMBL3637216)	Inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by fluorescence assay
50027334	2	ChEMBL_537437 (CHEMBL990602)	Antagonist activity at TLR4 in human PBMC cells assessed as suppression of LPS-induced cytokine upregulation
50027334	9	ChEMBL_537440 (CHEMBL990605)	Antagonist activity at TLR4 in human HL60 cells assessed as inhibition of LPS-induced cytokine production
50027337	1	ChEMBL_492760 (CHEMBL939448)	Agonist activity at muscarinic M4 receptor
50027337	2	ChEMBL_492762 (CHEMBL939450)	Agonist activity at muscarinic M5 receptor
50027337	6	ChEMBL_492754 (CHEMBL938553)	Agonist activity at muscarinic M1 receptor
50027337	5	ChEMBL_492769 (CHEMBL939457)	Antagonist activity at dopamine D2 receptor
50027337	4	ChEMBL_492756 (CHEMBL939444)	Agonist activity at muscarinic M2 receptor
50027337	3	ChEMBL_492758 (CHEMBL939446)	Agonist activity at muscarinic M3 receptor
50027343	1	ChEMBL_537471 (CHEMBL990636)	Antagonist activity at NK1 receptor
50046782	2	ChEMBL_1525707 (CHEMBL3635131)	Fixed inhibition of human carboxylesterase 2 using 4-benzoyl-N-butyl-1,8-naphthalimide as substrate by Dixon and Lineweaver-Burk plot analysis
50046783	1	ChEMBL_1525732 (CHEMBL3635156)	Partial agonist activity at human muscarinic M4 acetylcholine receptor expressed in CHO cells co-expressing Galpha16 assessed as calcium mobilization by FLIPR assay
50046783	2	ChEMBL_1525728 (CHEMBL3635152)	Agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay
50046783	3	ChEMBL_1525720 (CHEMBL3635144)	Inhibition of CYP3A4 (unknown origin)
50046783	4	ChEMBL_1525719 (CHEMBL3635143)	Inhibition of CYP2D6 (unknown origin)
50046783	5	ChEMBL_1525718 (CHEMBL3635142)	Inhibition of CYP2C19 (unknown origin)
50046783	6	ChEMBL_1525717 (CHEMBL3635141)	Inhibition of CYP2C9 (unknown origin)
50046783	7	ChEMBL_1525716 (CHEMBL3635140)	Inhibition of CYP1A2 (unknown origin)
50046784	1	ChEBML_1526060	Inhibition of PRMT6 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay
50046784	2	ChEBML_1526059	Inhibition of PRMT5 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay
50046784	3	ChEBML_1526058	Inhibition of PRMT4 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay
50046784	4	ChEMBL_1525938 (CHEMBL3635610)	Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay
50027348	2	ChEMBL_537915 (CHEMBL982702)	Inhibition of human recombinant DAGL-alpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey COS7 cell membrane by scintillation counting
50027348	4	ChEMBL_537917 (CHEMBL982704)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting
50027348	3	ChEMBL_537918 (CHEMBL982705)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting
50027348	1	ChEMBL_537919 (CHEMBL982706)	Inhibition of FAAH-mediated [14C]anandamide hydrolysis in rat brain membrane
50046785	1	ChEBML_1526078	Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric analysis
50046786	1	ChEBML_1526086	Binding affinity to NMDA receptor (unknown origin)
50046786	2	ChEBML_1526079	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method in the presence of pentazocine
50027351	1	ChEMBL_536689 (CHEMBL995080)	Inhibition of ATPase activity in human recombinant DDX3 expressed in Escherichia coli by luciferase-based luminescence assay in presence of ATP
50027352	7	ChEMBL_536698 (CHEMBL995089)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50027352	3	ChEMBL_536700 (CHEMBL995091)	Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane
50027352	5	ChEMBL_536696 (CHEMBL995087)	Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells
50027352	8	ChEMBL_536697 (CHEMBL995088)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells
50027352	6	ChEMBL_536699 (CHEMBL995090)	Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells
50027352	4	ChEMBL_536711 (CHEMBL995102)	Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells by [3H]thymidine incorporation assay
50027352	2	ChEMBL_536713 (CHEMBL995104)	Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells assessed as inhibition of forskolin-induced cAMP release
50027352	1	ChEMBL_536715 (CHEMBL981820)	Displacement of [3H]spiperone from human wild type D3 receptor expressed in human HEK293 cells
50027353	2	ChEMBL_557971 (CHEMBL965566)	Inhibition of human recombinant MAOA by fluorimetric method
50027353	1	ChEMBL_557972 (CHEMBL965567)	Inhibition of human recombinant MAOB by fluorimetric method
50046787	1	ChEBML_1526235	Agonist activity at human VDR expressed in HEK293 cells co-expressing CMX-GAL4N and TK-MH100x4-LUC assessed as induction of transcriptional activity by beta-galactosidase reporter gene assay
50046788	1	ChEBML_1526465	Agonist activity at GFP-tagged human P2Y11R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay
50046788	2	ChEBML_1526464	Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-based fluorescence assay
50046789	1	ChEBML_1526646	Inhibition of Bcr-Abl T315I mutant (unknown origin) by ADP-Glo assay
50046789	2	ChEBML_1526645	Inhibition of wild type Bcr-Abl (unknown origin) by ADP-Glo assay
50046790	1	ChEBML_1526682	Transactivation of XBP1 in rat IEC-6 cells after 48 hrs by dual luciferase reporter gene assay
50046791	1	ChEBML_1526828	Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins
50046791	2	ChEBML_1526829	Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins
50046792	2	ChEBML_1526857	Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay
50046793	1	ChEBML_1526866	Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase
50027358	1	ChEMBL_492772 (CHEMBL939460)	Inhibition of recombinant ERK2
50027359	1	ChEMBL_492775 (CHEMBL939463)	Antagonist activity at TLR4 in human PBMC assessed as inhibition of LPS-stimulated TNFalpha production pre-incubated for 30 mins before LPS challenge measured after 18 hrs by ELISA
50027360	3	ChEMBL_492788 (CHEMBL939476)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells
50027360	2	ChEMBL_492793 (CHEMBL939482)	Displacement of [3H]DPCPX form human adenosine A1 receptor expressed in HEK293 cells
50027360	1	ChEMBL_492785 (CHEMBL939473)	Activity at adenosine A2A receptor in rat PC12 cells assessed as intracellular cAMP accumulation
50027361	3	ChEMBL_536741 (CHEMBL984535)	Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells
50027361	1	ChEMBL_536739 (CHEMBL984533)	Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells
50027361	2	ChEMBL_536743 (CHEMBL984537)	Inhibition of CYP2C9
50027362	2	ChEMBL_536756 (CHEMBL984550)	Inhibition of human p38alpha
50027362	1	ChEMBL_536757 (CHEMBL984551)	Inhibition of human p38alpha phosphorylation
50027364	1	ChEMBL_492794 (CHEMBL939483)	Inhibition of GST-tagged FLT3 by ELISA
50027366	2	ChEMBL_536939 (CHEMBL993383)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells
50027366	1	ChEMBL_536941 (CHEMBL993385)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cells
50027366	3	ChEMBL_536943 (CHEMBL993387)	Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cells
50027366	4	ChEMBL_536945 (CHEMBL993389)	Displacement of [3H]ketanserin from 5HT2A receptor expressed in cells
50027368	4	ChEMBL_492826 (CHEMBL940315)	Displacement of fluorescein labeled estradiol from human recombinant ERalpha expressed in baculovirus infected insect cells by fluorescence polarization assay
50027368	1	ChEMBL_492827 (CHEMBL940316)	Displacement of fluorescein labeled estradiol from human recombinant ERbeta expressed in baculovirus infected insect cells by fluorescence polarization assay
50027368	2	ChEMBL_492828 (CHEMBL940317)	Displacement of [3H]estradiol from ERalpha in rat uteri cytosol by competitive radiometric binding assay
50027368	3	ChEMBL_492829 (CHEMBL940318)	Displacement of [3H]estradiol from ERbeta receptor in rat uteri cytosol by competitive radiometric binding assay
50027374	1	ChEMBL_499072 (CHEMBL1010499)	Inhibition of ovine COX2
50027374	2	ChEMBL_499073 (CHEMBL1010500)	Inhibition of ovine COX1
50027376	2	ChEMBL_492848 (CHEMBL941195)	Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assay
50027376	1	ChEMBL_492850 (CHEMBL942181)	Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assay
50027383	7	ChEMBL_537284 (CHEMBL985380)	Inhibition of human histamine H4 receptor
50027383	6	ChEMBL_537282 (CHEMBL985378)	Inhibition of human histamine H1 receptor
50027383	8	ChEMBL_537283 (CHEMBL985379)	Inhibition of human histamine H2 receptor
50027383	4	ChEMBL_537241 (CHEMBL981856)	Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding
50027383	5	ChEMBL_537242 (CHEMBL981857)	Antagonist activity at human ERG in HEK293 cells assessed as inhibition of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]methanesulfonamide binding
50027383	3	ChEMBL_537262 (CHEMBL981877)	Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells
50027383	1	ChEMBL_537263 (CHEMBL981878)	Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells
50027383	2	ChEMBL_537264 (CHEMBL982707)	Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor
50027384	1	ChEMBL_537287 (CHEMBL985383)	Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry
50027385	1	ChEMBL_537289 (CHEMBL985385)	Displacement of fluorescein labeled BAD peptide from Bcl-XL by fluorescence polarization assay
50046794	1	ChEBML_1527007	Inhibition of human recombinant neutral endopeptidase using Ala-AMC as substrate after 20 to 40 mins by fluorometry
50027385	2	ChEMBL_537290 (CHEMBL985386)	Displacement of fluorescein labeled Bax peptide from Bcl2 by fluorescence polarization assay
50046794	2	ChEBML_1527006	Inhibition of human recombinant aminopeptidase N using AbzdR-G-L-EDDnp as substrate after 20 to 40 mins by fluorometry
50000601	21	ChEMBL_33974 (CHEMBL645239)	Binding affinity against alpha-1 adrenergic receptor
50027393	2	ChEMBL_537544 (CHEMBL987113)	Inhibition of human cathepsin D
50000601	23	ChEMBL_33445 (CHEMBL649610)	Compound was tested for the binding affinity against Alpha-1 adrenergic receptor by using [3H]prazosin as radioligand
50046749	7	ChEMBL_1523547 (CHEMBL3631195)	Inhibition of human recombinant carbonic anhydrase 4
50046749	12	ChEMBL_1523540 (CHEMBL3631188)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay
50046795	1	ChEMBL_1523554 (CHEMBL3631202)	Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	2	ChEMBL_1523555 (CHEMBL3631203)	Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	3	ChEMBL_1523556 (CHEMBL3631204)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	4	ChEMBL_1523557 (CHEMBL3631205)	Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	5	ChEMBL_1523558 (CHEMBL3631206)	Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50027402	2	ChEMBL_537951 (CHEMBL1032407)	Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay
50027402	1	ChEMBL_537952 (CHEMBL1032408)	Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium flux by FLIPR assay
50046795	6	ChEMBL_1523559 (CHEMBL3631207)	Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	7	ChEMBL_1523560 (CHEMBL3631208)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay
50027404	1	ChEMBL_537978 (CHEMBL1032434)	Displacement of NG-([2,3-3H]propionyl)-BIBP-3226 from NPY Y1 receptor in human SK-N-MC cells
50027405	1	ChEMBL_538015 (CHEMBL1035044)	Inhibition of human recombinant PTP1B catalytic domain
50027409	1	ChEMBL_557991 (CHEMBL965586)	Inhibition of CDK9-mediated RNA pol 2 phosphorylation at ser2 in human HCT116 cells after 16 hrs by HCS assay
50027409	2	ChEMBL_557990 (CHEMBL965585)	Inhibition of CDK2/Cyclin A by fluorescence polarization assay
50027409	3	ChEMBL_557998 (CHEMBL965593)	Inhibition of CDK1/Cyclin B
50027409	4	ChEMBL_558000 (CHEMBL965595)	Inhibition of CDK7/Cyclin H
50027409	5	ChEMBL_558001 (CHEMBL965596)	Inhibition of CDK9/Cyclin T
50027410	2	ChEMBL_558003 (CHEMBL965598)	Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR
50027410	1	ChEMBL_558004 (CHEMBL965599)	Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells
50046795	8	ChEMBL_1523551 (CHEMBL3631199)	Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	9	ChEMBL_1523550 (CHEMBL3631198)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50027415	3	ChEMBL_492861 (CHEMBL942192)	Inhibition of PLK3 expressed in baculovirus infected Trichoplusia ni cells
50027415	2	ChEMBL_492873 (CHEMBL942204)	Inhibition of CDK2/cyclin A
50027415	1	ChEMBL_492860 (CHEMBL942191)	Inhibition of PLK1 expressed in baculovirus infected Trichoplusia ni cells
50027419	1	ChEMBL_558024 (CHEMBL953321)	Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase
50027421	2	ChEMBL_558035 (CHEMBL956585)	Inhibition of HDAC6 in human HCT116 cells assessed as inhibition of alpha-tubulin deacetylation
50027421	5	ChEMBL_558027 (CHEMBL953324)	Inhibition of His-tagged HDAC4 catalytic domain expressed in Escherichia coli
50027421	1	ChEMBL_558030 (CHEMBL953327)	Inhibition of HDAC6
50027421	4	ChEMBL_558029 (CHEMBL953326)	Inhibition of HDAC3
50027421	3	ChEMBL_558028 (CHEMBL953325)	Inhibition of HDAC1
50027426	2	ChEMBL_492902 (CHEMBL942233)	Inhibition of ovine COX1 by enzyme immuno assay
50027426	1	ChEMBL_492903 (CHEMBL942234)	Inhibition of ovine COX2 by enzyme immuno assay
50027431	2	ChEMBL_492909 (CHEMBL945297)	Inhibition of cSrc
50027431	1	ChEMBL_492908 (CHEMBL945296)	Inhibition of iNOS in mouse ANA1 cells
50027431	3	ChEMBL_492910 (CHEMBL945298)	Inhibition of cSrc by ELISA
50027433	1	ChEMBL_538311 (CHEMBL1036745)	Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3)
50027435	2	ChEMBL_492916 (CHEMBL945304)	Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex
50027435	1	ChEMBL_492915 (CHEMBL945303)	Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex
50027435	3	ChEMBL_492918 (CHEMBL945306)	Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum
50027437	3	ChEMBL_492925 (CHEMBL945313)	Inhibition of ZAP70
50027437	4	ChEMBL_492924 (CHEMBL945312)	Inhibition of SRC
50027437	5	ChEMBL_492922 (CHEMBL945310)	Inhibition of CDK2
50027437	2	ChEMBL_492921 (CHEMBL945309)	Inhibition of SYK
50027437	1	ChEMBL_492926 (CHEMBL945314)	Inhibition of SYK-mediated FCepsilonRI signaling activity by mast cell degranulation assay
50027439	2	ChEMBL_538313 (CHEMBL1036747)	Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells
50027439	3	ChEMBL_538314 (CHEMBL1036748)	Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells
50027439	4	ChEMBL_538317 (CHEMBL1036751)	Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells
50027439	1	ChEMBL_538318 (CHEMBL1036752)	Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in human HeLa cells
50027441	1	ChEMBL_492929 (CHEMBL946255)	Transactivation of ERalpha in human MCF7-2a cells assessed as luciferase reporter gene expression
50027443	2	ChEMBL_558062 (CHEMBL955770)	Inhibition of ovine COX1 by enzyme immuno assay
50027443	1	ChEMBL_558063 (CHEMBL955771)	Inhibition of ovine COX2 by enzyme immuno assay
50027444	2	ChEMBL_558100 (CHEMBL956590)	Displacement of [3H]SUC from succinic acid binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes
50027444	1	ChEMBL_558101 (CHEMBL956591)	Displacement of [3H]GHB from gamma-hydroxybutyrate binding site of gamma-hydroxybutyrate receptor in rat forebrain synaptic membranes
50046795	10	ChEMBL_1523549 (CHEMBL3631197)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50027445	5	ChEMBL_518962 (CHEMBL941550)	Inhibition of human procollagen C-proteinase assessed as [3H]procollagen turnover by scintillation counting
50027445	1	ChEMBL_518958 (CHEMBL941546)	Inhibition of human MMP2 by fluorescence assay
50027445	2	ChEMBL_519221 (CHEMBL946660)	Inhibition of PDE4A
50027445	3	ChEMBL_519222 (CHEMBL946661)	Inhibition of PDE4B
50027445	4	ChEMBL_519223 (CHEMBL946662)	Inhibition of PDE4C
50027445	6	ChEMBL_519224 (CHEMBL946663)	Inhibition of PDE4D
50027445	8	ChEMBL_518963 (CHEMBL941551)	Inhibition of interstitial MMP1 by fluorescence assay
50027445	9	ChEMBL_518964 (CHEMBL941552)	Inhibition of human MMP3 by fluorescence assay
50027447	1	ChEMBL_492975 (CHEMBL949441)	Agonist activity at human FFA1 expressed in human 1321N1 cells by calcium fluorescence assay
50027452	1	ChEMBL_499309 (CHEMBL1014940)	Inhibition of Raf-1
50027453	2	ChEMBL_558102 (CHEMBL956592)	Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells
50027453	4	ChEMBL_558103 (CHEMBL959032)	Antagonist activity against human cloned CGRP receptor expressed in HEK93 cells assessed as inhibition of CGRP-induced cAMP production
50027453	3	ChEMBL_558104 (CHEMBL959033)	Antagonist activity against human cloned CGRP receptor expressed in HEK93 cells assessed as inhibition of CGRP-induced cAMP production in presence of 50% human serum
50027453	1	ChEMBL_558108 (CHEMBL959037)	Antagonist activity against human cloned CGRP receptor expressed in HEK93 cells assessed as inhibition of CGRP-induced cAMP production in presence of 50% rhesus monkey serum
50027458	1	ChEMBL_558148 (CHEMBL959077)	Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC
50027462	2	ChEMBL_558174 (CHEMBL962308)	Displacement of [3H]ketanserin from 5HT2A receptor
50027462	1	ChEMBL_558175 (CHEMBL962309)	Displacement of [3H]dofetilide from human ERG channel
50027462	3	ChEMBL_558173 (CHEMBL962307)	Inhibition of serotonin reuptake at SERT
50046795	11	ChEMBL_1523552 (CHEMBL3631200)	Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay
50046795	12	ChEMBL_1523553 (CHEMBL3631201)	Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by stopped-flow CO2 hydration assay
50046774	2	ChEMBL_1525651 (CHEMBL3637515)	Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50046796	1	ChEMBL_1525673 (CHEMBL3637652)	Inhibition of CYP3A4 in human Liver microsomes after 5 mins by LC-MS/MS method
50046796	2	ChEMBL_1525674 (CHEMBL3637653)	Inhibition of CYP2C9 in human Liver microsomes after 5 mins by LC-MS/MS method
50046796	3	ChEMBL_1525675 (CHEMBL3637654)	Inhibition of CYP2D6 in human Liver microsomes after 5 mins by LC-MS/MS method
50046796	4	ChEMBL_1525676 (CHEMBL3637655)	Inhibition of CYP2C19 in human Liver microsomes after 35 mins by LC-MS/MS method
50046796	5	ChEMBL_1525677 (CHEMBL3637656)	Inhibition of CYP2C8 in human Liver microsomes after 5 mins by LC-MS/MS method
50046797	1	ChEMBL_1525702 (CHEMBL3637681)	Inhibition of Escherichia coli DNA gyrase preincubated for 5 mins at 37 degC before addition of relaxed pBR322 as substrate by supercoiling assay
50046798	1	ChEMBL_1525849 (CHEMBL3635763)	Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation preincubated for 15 mins followed by substrate addition
50046799	1	ChEMBL_1525858 (CHEMBL3635177)	Inhibition of BACE1 (unknown origin) using APP Swedish mutant harboring Lys-Met/Asn-Leu mutation in beta-secretase cleavage site as substrate by FRET assay
50027474	1	ChEMBL_558191 (CHEMBL962325)	Inhibition of canine retina PDE6 by scintillation proximity assay
50046799	2	ChEMBL_1525859 (CHEMBL3635178)	Inhibition of BACE1 in human SKNBE2 cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandwich alphalisa assay
50027478	2	ChEMBL_558213 (CHEMBL962347)	Inhibition of GST-tagged FAK assessed as inhibition of poly-Glu-Tyr phosphorylation
50027478	1	ChEMBL_558214 (CHEMBL960612)	Inhibition of GST-tagged pyk2 assessed as inhibition of poly-Glu-Tyr phosphorylation
50027478	4	ChEMBL_558217 (CHEMBL960615)	Inhibition of GST-tagged FAK assessed as inhibition of poly-Glu-Tyr phosphorylation by fluorescence polarization assay
50027478	3	ChEMBL_558212 (CHEMBL962346)	Inhibition of Pyk2 by fluorescence polarization assay
50027480	10	ChEMBL_493116 (CHEMBL940379)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50027480	1	ChEMBL_493108 (CHEMBL940371)	Inhibition of human HDAC3 expressed in mammalian cells
50027480	8	ChEMBL_493109 (CHEMBL940372)	Inhibition of HDAC4
50027480	7	ChEMBL_493111 (CHEMBL940374)	Inhibition of human HDAC6 expressed in mammalian cells
50027480	4	ChEMBL_493112 (CHEMBL940375)	Inhibition of HDAC7
50027480	5	ChEMBL_493113 (CHEMBL940376)	Inhibition of HDAC8
50027480	2	ChEMBL_493107 (CHEMBL940370)	Inhibition of human HDAC2 expressed in mammalian cells
50027480	3	ChEMBL_493106 (CHEMBL940369)	Inhibition of human HDAC1 expressed in mammalian cells
50027484	1	ChEMBL_536002 (CHEMBL988018)	Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay
50027484	2	ChEMBL_536001 (CHEMBL988017)	Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay
50027491	4	ChEMBL_493209 (CHEMBL948439)	Inhibition of HDAC1 purified from HEK293 cells by Western blot
50027491	5	ChEMBL_493217 (CHEMBL948447)	Inhibition of CYP2C9 in human liver microsomes
50027491	1	ChEMBL_493210 (CHEMBL948440)	Inhibition of HDAC3 purified from HEK293 cells by Western blot
50027491	2	ChEMBL_493212 (CHEMBL948442)	Inhibition of HDAC6 purified from HEK293 cells by Western blot
50027491	3	ChEMBL_493218 (CHEMBL948448)	Inhibition of CYP2C9 in human hepatocytes
50027491	6	ChEMBL_493219 (CHEMBL948449)	Inhibition of CYP2C9 in human hepatocytes in presence of 10% fetal bovine serum
50027495	2	ChEMBL_558277 (CHEMBL956577)	Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding
50027495	4	ChEMBL_558278 (CHEMBL956578)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50027495	5	ChEMBL_558279 (CHEMBL956579)	Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells
50027495	3	ChEMBL_558280 (CHEMBL956580)	Inhibition of human histamine H1 receptor
50027495	1	ChEMBL_558281 (CHEMBL957345)	Inhibition of human histamine H2 receptor
50027495	6	ChEMBL_558282 (CHEMBL957346)	Inhibition of human histamine H4 receptor
50027499	2	ChEMBL_558390 (CHEMBL963112)	Inhibition of aminopeptidase activity of human recombinant leukotriene A4 hydrolase expressed in Escherichia coli assessed as p-nitroanilide release by spectrophotometry
50027499	1	ChEMBL_558389 (CHEMBL963111)	Inhibition of epoxide hydrolase activity of human recombinant leukotriene A4 hydrolase expressed in Escherichia coli assessed as LTB4 production by RP-HPLC
50027502	1	ChEMBL_536036 (CHEMBL991606)	Inhibition of Plasmodium falciparum plasmepsin-2
50046799	3	ChEMBL_1525860 (CHEMBL3635179)	Inhibition of BACE1 in mouse Neuro-2a cells expressing wild type human APP695 assessed as reduction in amyloid beta-42 production after 18 hrs by sandwich alphalisa assay
50046799	4	ChEMBL_1525877 (CHEMBL3635363)	Inhibition of human recombinant CYP2D6 by fluorescence assay
50046800	1	ChEMBL_1526206 (CHEMBL3636891)	Inhibition of kynurenine monooxygenase (unknown origin) by MS rapidfire assay
50046801	1	ChEBML_1526207	Inhibition of human Nav1.7 by patch-clamp assay
50046814	1	ChEMBL_1525077 (CHEMBL3635115)	Inhibition of Lp-PLA2 (unknown origin)
50046814	2	ChEMBL_1525084 (CHEMBL3635122)	Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF substrate after 10 mins
50046815	1	ChEMBL_1525098 (CHEMBL3635260)	Inhibition of recombinant PTP1B (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins
50027508	2	ChEMBL_536305 (CHEMBL990739)	Inhibition of rat recombinant peptidylglycine alpha-amidating monooxygenase in presence of DMSO
50027508	1	ChEMBL_536304 (CHEMBL990738)	Inhibition of rat recombinant peptidylglycine alpha-amidating monooxygenase assessed as inhibition of N-dansyl-Tyr-Val-Gly amidation
50046815	2	ChEMBL_1525099 (CHEMBL3635261)	Inhibition of TCPTP (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins
50046815	3	ChEMBL_1525100 (CHEMBL3635262)	Inhibition of SHP1 (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins
50046815	4	ChEMBL_1525101 (CHEMBL3635263)	Inhibition of SHP2 (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins
50046815	5	ChEMBL_1525102 (CHEMBL3635264)	Inhibition of LAR (unknown origin) assessed as hydrolysis of pNPP to pNP after 30 mins
50046816	1	ChEMBL_1525247 (CHEMBL3635709)	Inhibition of sEH (unknown origin) assessed as 6-methoxy-2-naphthaldehyde formation by fluorometry assay using 40 uM cyano-(6-methoxy-naphthalen-2-yl)-methyl ester as substrate
50046816	2	ChEMBL_1525248 (CHEMBL3635710)	Reversible-uncompetitive inhibition of sEH (unknown origin) by Lineweaver-Burk plot
50046817	1	ChEMBL_1525274 (CHEMBL3635883)	Inhibition of supercoiling activity of Staphylococcus aureus DNA gyrase using relaxed pHOT1 plasmid DNA after 60 mins using ethidium bromide staining by SDS-electrophoresis analysis
50046818	1	ChEMBL_1525276 (CHEMBL3635885)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by proprietary radioisotopic protein kinase assay
50046818	2	ChEMBL_1525275 (CHEMBL3635884)	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 insect cells using casein as substrate by proprietary radioisotopic protein kinase assay
50046819	1	ChEMBL_1525281 (CHEMBL3635890)	Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting
50046819	2	ChEMBL_1525279 (CHEMBL3635888)	Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting
50046819	3	ChEMBL_1525282 (CHEMBL3635891)	Displacement of [3H]-5-CT from 5-HT7 receptor in rat hypothalamus homogenates after 120 mins by liquid scintillation counting
50027511	1	ChEMBL_493330 (CHEMBL952393)	Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC
50027512	1	ChEMBL_493332 (CHEMBL952395)	Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry
50027513	1	ChEMBL_493370 (CHEMBL940411)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
50027513	2	ChEMBL_493369 (CHEMBL940410)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum by liquid scintillation spectrometry
50027515	4	ChEMBL_558433 (CHEMBL963839)	Inhibition of norepinephrine uptake at human NET transfected in HEK cells
50027515	3	ChEMBL_558434 (CHEMBL963840)	Inhibition of serotonin uptake at human SERT transfected in HEK cells
50027515	2	ChEMBL_558435 (CHEMBL963841)	Inhibition of dopamine uptake at human DAT transfected in HEK cells
50027515	1	ChEMBL_558436 (CHEMBL963842)	Inhibition of CYP2D6
50027517	5	ChEMBL_493394 (CHEMBL943375)	Inhibition of CYP3A4
50027517	6	ChEMBL_493395 (CHEMBL943376)	Inhibition of CYP2D6
50027517	3	ChEMBL_493396 (CHEMBL943377)	Inhibition of CYP2C9
50027517	4	ChEMBL_493397 (CHEMBL943378)	Inhibition of CYP2C19
50027517	1	ChEMBL_493398 (CHEMBL943379)	Inhibition of CYP1A2
50027517	2	ChEMBL_493399 (CHEMBL943380)	Inhibition of human ERG by patch-clamp assay
50027519	2	ChEMBL_493415 (CHEMBL944372)	Inhibition of SERT
50027519	1	ChEMBL_493416 (CHEMBL944373)	Inhibition of NET
50027519	3	ChEMBL_493417 (CHEMBL944374)	Inhibition of DAT
50027519	4	ChEMBL_493419 (CHEMBL944376)	Inhibition of CYP2D6 by fluorescence based assay
50027519	5	ChEMBL_493421 (CHEMBL944378)	Inhibition of human ERG expressed in CHO cells
50046819	4	ChEMBL_1525280 (CHEMBL3635889)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting
50046819	5	ChEMBL_1525415 (CHEMBL3636470)	Binding affinity to dopaminergic D2 receptor (unknown origin)
50046819	6	ChEMBL_1525285 (CHEMBL3635894)	Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates after 60 mins by liquid scintillation counting
50046819	7	ChEMBL_1525286 (CHEMBL3635895)	Displacement of [3H]mesulergine from 5-HT2C receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting
50046819	8	ChEMBL_1525287 (CHEMBL3635896)	Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp method
50046819	9	ChEMBL_1525416 (CHEMBL3636471)	Binding affinity to dopaminergic D3 receptor (unknown origin)
50046820	1	ChEMBL_1525468 (CHEMBL3636666)	Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter
50027529	2	ChEMBL_519275 (CHEMBL946714)	Inhibition of MMP13 by FRET assay
50027529	4	ChEMBL_519276 (CHEMBL946715)	Inhibition of MMP12 by FRET assay
50027531	2	ChEMBL_493725 (CHEMBL949480)	Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay
50027531	1	ChEMBL_493724 (CHEMBL949479)	Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay
50027533	1	ChEMBL_522127 (CHEMBL1006579)	Inhibition of human Wee1
50027534	2	ChEMBL_558442 (CHEMBL963848)	Inhibition of bovine PDE5
50046820	2	ChEMBL_1525470 (CHEMBL3636668)	Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter
50027535	1	ChEMBL_558456 (CHEMBL963862)	Displacement of [3H]dihydrotetrabenazine from vesicular monoamine transporter-2 in rat brain synaptosome
50046820	3	ChEMBL_1525474 (CHEMBL3636672)	Agonist activity at kappa-opioid receptor (unknown origin) after 90 mins by [35S]GTPgammaS binding assay
50046821	1	ChEMBL_1525596 (CHEMBL3637222)	Inhibition of recombinant human JMJD2A using biotinylated histone H3 as substrate by AlphaScreen assay
50027540	1	ChEMBL_536771 (CHEMBL984565)	Inhibition of cataracted human eye lens aldose reductase
50027541	2	ChEMBL_536773 (CHEMBL984567)	Inhibition of estradiol-induced coactivator peptide SRC binding to recombinant estrogen receptor by fluorescence polarization assay
50027541	3	ChEMBL_536774 (CHEMBL984568)	Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transcriptional activity after 24 hrs by luciferase reporter gene assay
50027541	5	ChEMBL_536775 (CHEMBL984569)	Inhibition of estradiol-induced coactivator peptide SRC1 binding to estrogen receptor alpha expressed in human HEC1 cells after 24 hrs by luciferase based mammalian two-hybrid assay
50027541	4	ChEMBL_536779 (CHEMBL984573)	Displacement of [3H]estradiol from human estrogen receptor alpha/estrogen receptor beta
50027541	1	ChEMBL_536780 (CHEMBL984574)	Antagonist activity at estrogen receptor alpha expressed in human HEC1 cells assessed as inhibition of 100 nM estradiol-induced transcriptional activity after 24 hrs by luciferase reporter gene assay
50027542	2	ChEMBL_493815 (CHEMBL937780)	Inhibition of COX2
50027542	3	ChEMBL_493816 (CHEMBL940424)	Inhibition of 5LOX
50027544	1	ChEMBL_519285 (CHEMBL947737)	Binding affinity to human CB1 receptor
50027544	4	ChEMBL_519287 (CHEMBL947739)	Binding affinity to human CB2 receptor
50027544	3	ChEMBL_519288 (CHEMBL947740)	Binding affinity to mouse CB1 receptor
50027544	2	ChEMBL_519289 (CHEMBL947741)	Binding affinity to human CB1 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation
50027547	1	ChEMBL_558903 (CHEMBL1022582)	Inhibition of LCK
50027549	1	ChEMBL_536786 (CHEMBL988050)	Inhibition of GST fused human Hdm2 assessed as polyubiquitylation by electrochemiluminescence assay
50027552	1	ChEMBL_522272 (CHEMBL998935)	Inhibition of human recombinant furin-dependent anthrax protective antigen processing
50027556	1	ChEMBL_558908 (CHEMBL1022587)	Inhibition of MAOB in rat liver homogenates preincubated for 60 mins
50027556	2	ChEMBL_558907 (CHEMBL1022586)	Inhibition of MAOA in rat liver homogenates preincubated for 60 mins
50027557	1	ChEMBL_519301 (CHEMBL947753)	Binding affinity to adrenergic alpha1A receptor
50027557	3	ChEMBL_519306 (CHEMBL947758)	Inhibition of CYP2C19
50027557	2	ChEMBL_519307 (CHEMBL947759)	Inhibition of CYP2D6
50027557	4	ChEMBL_519297 (CHEMBL947749)	Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells by calcium mobilization-based fluorescence assay
50027562	3	ChEMBL_536825 (CHEMBL988089)	Binding affinity at GPR109a
50046822	1	ChEMBL_1525606 (CHEMBL3637359)	Inhibition of Bacillus anthracis Lethal factor after 10 mins by mobility shift protease assay using 8 uM FITC as substrate
50046822	2	ChEMBL_1525607 (CHEMBL3637360)	Inhibition of Bacillus anthracis Lethal factor after 5 mins by FRET assay
50046823	1	ChEMBL_1525781 (CHEMBL3635350)	Inhibition of His-tagged human MALT1 (catalytic domain-339-719 aa) by fluorescence based assay using 25 uM Ac-LRSR-AMC as substrate
50046823	2	ChEMBL_1525779 (CHEMBL3635348)	Inhibition of MALT1 in human Jurkat cell lysate preincubated for 2 hrs followed by addition of 25 uM Ac-LRSR-AMC substrate for 3 hrs by fluorescence based assay
50046824	1	ChEMBL_1525795 (CHEMBL3635554)	Inhibition of human recombinant GSK-3 beta using Ulight-CFFKNIVTPRTPPPSQGK-amide substrate incubated for 90 mins by LANCE method relative to control
50046824	2	ChEMBL_1525794 (CHEMBL3635553)	Inhibition of human recombinant GSK-3 alpha using Ulight-CFFKNIVTPRTPPPSQGK-amide substrate incubated for 60 mins by LANCE method relative to control
50046825	1	ChEMBL_1525818 (CHEMBL3635732)	Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method
50046825	2	ChEMBL_1525819 (CHEMBL3635733)	Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method
50027565	6	ChEMBL_558914 (CHEMBL1022593)	Inhibition of human ERG by patch clamp assay
50027565	8	ChEMBL_558912 (CHEMBL1022591)	Inhibition of CDK2
50046825	3	ChEMBL_1525820 (CHEMBL3635734)	Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method
50027565	2	ChEMBL_558916 (CHEMBL1022595)	Inhibition of CDK1
50027565	4	ChEMBL_558917 (CHEMBL1022596)	Inhibition of CDK4
50027565	9	ChEMBL_558923 (CHEMBL1009269)	Inhibition of Csk
50027565	10	ChEMBL_558924 (CHEMBL1009270)	Inhibition of EGFR
50027565	1	ChEMBL_558925 (CHEMBL1009271)	Inhibition of FGFR1
50027565	3	ChEMBL_558926 (CHEMBL1009272)	Inhibition of IGF1R
50027565	5	ChEMBL_558927 (CHEMBL1009273)	Inhibition of JAK2
50027565	7	ChEMBL_558928 (CHEMBL1009274)	Inhibition of Zap70
50046825	4	ChEMBL_1525821 (CHEMBL3635735)	Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method
50046825	5	ChEMBL_1525822 (CHEMBL3635736)	Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method
50046826	1	ChEMBL_1525953 (CHEMBL3635777)	Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins by Ellman's method
50046826	2	ChEMBL_1525947 (CHEMBL3635771)	Competitive inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins by Lineweaver-Burk plot analysis
50046826	3	ChEMBL_1525952 (CHEMBL3635776)	Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins by Ellman's method
50027578	1	ChEMBL_559137 (CHEMBL1012082)	Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA
50027579	5	ChEMBL_559145 (CHEMBL1012090)	Inhibition of human CYP3A4 using dibenzylfluorescein as substrate
50027579	7	ChEMBL_559139 (CHEMBL1012084)	Antagonist activity at human CCR2
50027579	4	ChEMBL_559140 (CHEMBL1012085)	Inhibition of human CYP1A2
50027579	3	ChEMBL_559141 (CHEMBL1012086)	Inhibition of human CYP2D6
50027579	2	ChEMBL_559142 (CHEMBL1012087)	Inhibition of human CYP2C19
50027579	1	ChEMBL_559143 (CHEMBL1012088)	Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50027579	6	ChEMBL_559144 (CHEMBL1012089)	Inhibition of human CYP3A4 using 7-benzyloxyquinoline as substrate
50027580	3	ChEMBL_559149 (CHEMBL1012094)	Displacement of [125I][Tyr14]nociceptin FQ from human cloned nociceptin receptor expressed in CHO cells
50027580	2	ChEMBL_559150 (CHEMBL1012095)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells
50027580	1	ChEMBL_559154 (CHEMBL1012099)	Agonist activity at human cloned nociceptin receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50027581	3	ChEMBL_519578 (CHEMBL943653)	Inhibition of MRCKalpha
50027581	1	ChEMBL_519579 (CHEMBL943654)	Inhibition of JNK3
50027581	2	ChEMBL_519577 (CHEMBL942700)	Inhibition of AKT1
50046827	1	ChEMBL_1525967 (CHEMBL3635791)	Inhibition of Pin-1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by proteinase-coupled based spectrophotometric analysis
50046828	1	ChEMBL_1525980 (CHEMBL3635916)	Competitive inhibition of IDH1-R132H mutant (unknown origin) using a-ketoglutarate and NADPH as substrate by steady state kinetic analysis
50046829	1	ChEMBL_1525995 (CHEMBL3635931)	Inhibition of STAT3 (unknown origin) assessed as reduction in STAT3-DNA binding
50046830	1	ChEMBL_1526312 (CHEMBL3637259)	Time-dependent inhibition of CYP3A4 in human liver microsomes
50046830	2	ChEMBL_1526125 (CHEMBL3636509)	Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin measured every 20 secs by spectrophotometric analysis
50046830	3	ChEMBL_1526127 (CHEMBL3636511)	Irreversible inhibition of MPO in LPS-stimulated human whole blood after 4 hrs by Amplex Red/H2O2-based fluorescence plate reader analysis
50046830	4	ChEMBL_1526168 (CHEMBL3636693)	Reversible inhibition of CYP1A2 phenacetin O-deethylase activity in human liver microsomes by LC-MS/MS analysis
50046830	5	ChEMBL_1526169 (CHEMBL3636694)	Reversible inhibition of CYP2B6 bupropion hydroxylase activity in human liver microsomes by LC-MS/MS analysis
50046830	6	ChEMBL_1526170 (CHEMBL3636695)	Reversible inhibition of CYP2C8 amodiaquine-N-deethylase activity in human liver microsomes by LC-MS/MS analysis
50046830	7	ChEMBL_1526171 (CHEMBL3636696)	Reversible inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50046830	8	ChEMBL_1526172 (CHEMBL3636697)	Reversible inhibition of CYP2C19 (S)-Mephenytoin 4'-hydroxylase activity in human liver microsomes by LC-MS/MS analysis
50046830	9	ChEMBL_1526173 (CHEMBL3636698)	Reversible inhibition of CYP2D6 dextromethorphan O-demethylase activity in human liver microsomes by LC-MS/MS analysis
50046830	10	ChEMBL_1526174 (CHEMBL3636699)	Reversible inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50046830	11	ChEMBL_1526175 (CHEMBL3636700)	Time-dependent inhibition of CYP1A2 in human liver microsomes
50046830	12	ChEMBL_1526176 (CHEMBL3636701)	Time-dependent inhibition of CYP2B6 in human liver microsomes
50046830	13	ChEMBL_1526308 (CHEMBL3637255)	Time-dependent inhibition of CYP2C8 in human liver microsomes
50046830	14	ChEMBL_1526309 (CHEMBL3637256)	Time-dependent inhibition of CYP2C9 in human liver microsomes
50046830	15	ChEMBL_1526310 (CHEMBL3637257)	Time-dependent inhibition of CYP2C19 in human liver microsomes
50046830	16	ChEMBL_1526311 (CHEMBL3637258)	Time-dependent inhibition of CYP2D6 in human liver microsomes
50046830	17	ChEMBL_1526118 (CHEMBL3636365)	Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocytes using Amplex Red as substrate assessed as formation of resorufin after 300 secs by spectrophotometric analysis
50046830	18	ChEMBL_1526121 (CHEMBL3636368)	Inhibition of TPO (unknown origin) using Amplex Red as substrate assessed as formation of resorufin measured every 20 secs by spectrophotometric analysis
50046831	1	ChEMBL_1526322 (CHEMBL3637269)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by Ellman's colorimetric assay
50046832	1	ChEMBL_1526324 (CHEMBL3637271)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins by Ellman's method
50046832	2	ChEMBL_1526325 (CHEMBL3637272)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins by Ellman's method
50027592	4	ChEMBL_519597 (CHEMBL943672)	Agonist activity at GPR40 expressed in CHO cells by FLIPR assay
50027592	3	ChEMBL_519599 (CHEMBL943674)	Agonist activity at GPR40
50027592	1	ChEMBL_519605 (CHEMBL946732)	Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay
50027592	2	ChEMBL_519602 (CHEMBL943677)	Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay
50046833	1	ChEMBL_1526359 (CHEMBL3637420)	Antagonist activity at mouse GPRC6A receptor expressed in HEK293 cells assessed as inhibition of L-ornithine-induced inositol monophosphate accumulation after 1 hr by FRET assay
50027596	7	ChEMBL_559411 (CHEMBL1017265)	Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) expressed in SF9 cells
50027596	1	ChEMBL_559412 (CHEMBL1017266)	Inhibition of flag-tagged ACK1 autophosphorylation expressed in human 293 cells
50027596	6	ChEMBL_559420 (CHEMBL1017274)	Inhibition of LCK
50027596	4	ChEMBL_559421 (CHEMBL1018102)	Inhibition of BTK
50027596	5	ChEMBL_559422 (CHEMBL1018103)	Inhibition of KDR
50027596	2	ChEMBL_559423 (CHEMBL1018104)	Inhibition of Tie2
50027596	3	ChEMBL_559424 (CHEMBL1018105)	Inhibition of Jak3
50027598	1	ChEMBL_559425 (CHEMBL1018106)	Inhibition of Saccharomyces cerevisiae carbonic anhydrase by oxygen-18 isotope exchange assay
50027598	2	ChEMBL_559426 (CHEMBL1018107)	Inhibition of human carbonic anhydrase 1 by CO2 hydration stopped-flow assay
50027598	4	ChEMBL_559427 (CHEMBL1018108)	Inhibition of human carbonic anhydrase 2 by CO2 hydration stopped-flow assay
50027598	3	ChEMBL_559428 (CHEMBL1018109)	Inhibition of Candida albicans carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay
50027598	5	ChEMBL_559429 (CHEMBL1018110)	Inhibition of Saccharomyces cerevisiae carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay
50027601	1	ChEMBL_522451 (CHEMBL1001584)	Displacement of [3H]citalopram from 5HTT in rat brain membranes
50027601	2	ChEMBL_522450 (CHEMBL1001583)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes
50027603	1	ChEMBL_559443 (CHEMBL1018124)	Inhibition of CDK1
50027603	2	ChEMBL_559442 (CHEMBL1018123)	Inhibition of CDK2
50027605	4	ChEMBL_559660 (CHEMBL1009214)	Inhibition of Akt1
50027605	3	ChEMBL_559663 (CHEMBL1009217)	Inhibition of JNK1
50027605	2	ChEMBL_559664 (CHEMBL1009218)	Inhibition of JNK3
50046833	2	ChEMBL_1526361 (CHEMBL3637422)	Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced inositol monophosphate accumulation after 1 hr by FRET assay
50046833	3	ChEMBL_1526362 (CHEMBL3637423)	Antagonist activity at rat CaSR expressed in HEK293 cells assessed as inhibition of Ca2+-induced inositol monophosphate accumulation after 1 hr by FRET assay
50046833	4	ChEMBL_1526363 (CHEMBL3637424)	Antagonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as inhibition of carbachol-induced inositol monophosphate accumulation after 1 hr by FRET assay
50046833	5	ChEMBL_1526364 (CHEMBL3637425)	Antagonist activity at rat mGluR5 expressed in CHO cells assessed as inhibition of L-glutamate-induced inositol monophosphate accumulation after 1 hr by FRET assay
50027606	1	ChEMBL_559677 (CHEMBL1010075)	Inhibition of Trypanosoma cruzi C-terminal truncated cruzain expressed in DH5alpha Escherichia coli by well-microplate spectrophotometry
50046834	1	ChEMBL_1526369 (CHEMBL3637430)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate by kinetic fluorescent assay
50027607	1	ChEMBL_537039 (CHEMBL986188)	Inhibition of MMP2
50046835	1	ChEMBL_1526507 (CHEMBL3635395)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50027609	1	ChEMBL_559686 (CHEMBL1010084)	Inhibition of human lysosomal beta galactosidase
50046835	2	ChEMBL_1526374 (CHEMBL3637535)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50046835	3	ChEMBL_1526373 (CHEMBL3637534)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50027613	1	ChEMBL_559710 (CHEMBL1012868)	Inhibition of mushroom tyrosinase assessed as 3,4-dihydroxy-L-phenylalanine oxidation
50027614	2	ChEMBL_515045 (CHEMBL1034787)	Inhibition of DPP4
50027614	1	ChEMBL_515039 (CHEMBL1034781)	Inhibition of DPP2
50027614	3	ChEMBL_515046 (CHEMBL1034788)	Inhibition of DPP8
50027617	3	ChEMBL_559912 (CHEMBL1011023)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting
50027617	2	ChEMBL_559914 (CHEMBL1011025)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells by scintillation counting
50027617	4	ChEMBL_559910 (CHEMBL1011021)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting
50027617	1	ChEMBL_559917 (CHEMBL1013711)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP accumulation by competition protein binding assay
50046836	1	ChEMBL_1526512 (CHEMBL3635400)	Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity by STF luciferase assay
50046836	2	ChEMBL_1526513 (CHEMBL3635401)	Inhibition of porcupine in human HEK293 cells assessed as reduction in Wnt secretion by measuring suppression of beta-catenin reporter activity after 24 hrs by STF reporter assay
50046836	3	ChEMBL_1526514 (CHEMBL3635402)	Inhibition of mouse porcupine expressed in human HT1080 cells assessed as reduction in beta catenin reporter activity using firefly luciferase substrate STF reporter assay
50046836	4	ChEMBL_1526517 (CHEMBL3635405)	Inhibition of porcupine in human HEK293 cells by STF reporter assay
50046837	1	ChEMBL_1526543 (CHEMBL3635619)	Inhibition of CYP3A4 (unknown origin)
50046837	2	ChEMBL_1526544 (CHEMBL3635620)	Inhibition of CYP2D6 (unknown origin)
50046837	3	ChEMBL_1526545 (CHEMBL3635621)	Inhibition of CYP2C9 (unknown origin)
50046837	4	ChEMBL_1526551 (CHEMBL3635627)	Binding affinity to human ERG
50046837	5	ChEMBL_1526552 (CHEMBL3635628)	Inhibition of human ERG by QPatch assay
50046837	6	ChEMBL_1526537 (CHEMBL3635613)	Displacement of [125l]orexin A from human orexin 1 receptor expressed in CHO cells after 1 hr
50046837	7	ChEMBL_1526538 (CHEMBL3635614)	Displacement of [125l]orexin A from human orexin 2 receptor expressed in CHO cells after 1 hr
50046837	8	ChEMBL_1526534 (CHEMBL3635422)	Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay
50027621	1	ChEMBL_559919 (CHEMBL1013713)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells by EP voltage clamp technique
50027623	3	ChEMBL_495151 (CHEMBL1008930)	Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor expressed in HEK293 cells by liquid scintillation counting
50027623	2	ChEMBL_495153 (CHEMBL1008932)	Inhibition of CYP3A4
50027623	1	ChEMBL_495152 (CHEMBL1008931)	Antagonist activity at human GnRH receptor expressed in RBL1 cells assessed as inhibition of GnRH-stimulated inositol phosphate production
50027623	4	ChEMBL_495155 (CHEMBL1008934)	Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from rat GnRH receptor expressed in CHO cells by liquid scintillation counting
50027623	5	ChEMBL_495156 (CHEMBL1008935)	Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from monkey GnRH receptor expressed in CHO cells by liquid scintillation counting
50027624	1	ChEMBL_495212 (CHEMBL998642)	Inhibition of POP in Sprague-Dawley rat brain homogenates
50027629	2	ChEMBL_559938 (CHEMBL1013732)	Inhibition of CYP3A4 using diethoxyfluorescein substrate
50027629	4	ChEMBL_559939 (CHEMBL1013733)	Inhibition of CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin substrate
50027629	6	ChEMBL_559943 (CHEMBL1013737)	Inhibition of CYP1A2
50027629	3	ChEMBL_559944 (CHEMBL1013738)	Inhibition of CYP2C9
50027629	5	ChEMBL_559945 (CHEMBL1013739)	Inhibition of CYP2C19
50027629	1	ChEMBL_559946 (CHEMBL1013740)	Inhibition of CYP2D6
50027631	3	ChEMBL_559970 (CHEMBL1014569)	Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in CHO cells
50027631	1	ChEMBL_559971 (CHEMBL1014570)	Antagonist activity at human cloned adenosine A2B cells expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production
50027631	2	ChEMBL_559972 (CHEMBL1014571)	Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells
50027631	4	ChEMBL_559969 (CHEMBL1014568)	Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells
50027632	2	ChEMBL_495415 (CHEMBL999468)	Agonist activity at human GPR120-G-alpha-16 fusion protein expressed in Flp-in HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay
50027632	1	ChEMBL_495416 (CHEMBL999469)	Agonist activity at human GPR40 expressed in T-REx HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay
50027634	1	ChEMBL_495622 (CHEMBL1000314)	Inhibition of recombinant perforin-mediated lysis of human Jurkat T cells by 51Cr release assay
50027635	1	ChEMBL_495837 (CHEMBL1008766)	Inhibition of human HDAC1
50027640	1	ChEMBL_559976 (CHEMBL1014575)	Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay
50046837	9	ChEMBL_1526535 (CHEMBL3635423)	Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay
50027646	2	ChEMBL_560186 (CHEMBL1014599)	Inhibition of CYP2D6
50027646	1	ChEMBL_560184 (CHEMBL1014597)	Inhibition of CYP3A4
50027646	4	ChEMBL_560188 (CHEMBL1014601)	Inhibition of CYP2C9
50027646	5	ChEMBL_560189 (CHEMBL1014602)	Inhibition of CYP1A2.
50027646	3	ChEMBL_560187 (CHEMBL1014600)	Inhibition of CYP2C19
50046838	1	ChEMBL_1526690 (CHEMBL3636125)	Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis
50046838	2	ChEMBL_1526572 (CHEMBL3635648)	Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis
50046838	3	ChEMBL_1526571 (CHEMBL3635647)	Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis
50046838	4	ChEMBL_1526692 (CHEMBL3636127)	Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting analysis
50027651	3	ChEMBL_560248 (CHEMBL1019587)	Inhibition of human ERG by calcium-flux based assay
50027651	1	ChEMBL_560250 (CHEMBL1019589)	Binding affinity to CCR3 receptor
50027651	2	ChEMBL_560252 (CHEMBL1019591)	Inhibition of CYP2D6
50027657	1	ChEMBL_515047 (CHEMBL1034789)	Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells
50027657	2	ChEMBL_515048 (CHEMBL1034790)	Inhibition of [3H]glycine uptake at rat glycine transporter 2 expressed in african green monkey COS7 cells
50027661	2	ChEMBL_560474 (CHEMBL1020494)	Inhibition of human DDAH1 by plate-reader assay
50027661	1	ChEMBL_560476 (CHEMBL1020496)	Inhibition of rat DDAH
50046838	5	ChEMBL_1526693 (CHEMBL3636128)	Agonist activity at rat delta-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting analysis
50027663	3	ChEMBL_560486 (CHEMBL1020506)	Inhibition of BACE2 expressed in human 293T cells
50046838	6	ChEMBL_1526694 (CHEMBL3636129)	Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting analysis
50027668	2	ChEMBL_543916 (CHEMBL1020351)	Inhibition of recombinant calmodulin mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spectrophotometry
50027668	1	ChEMBL_543917 (CHEMBL1020352)	Inhibition of recombinant calmodulin mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using variable calmodulin level by spectrophotometry
50027670	1	ChEMBL_560699 (CHEMBL1010834)	Antagonist activity at human ERalpha receptor expressed in HEC1 cells assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50027672	1	ChEMBL_560708 (CHEMBL1010843)	Displacement of [3H]desArg from human B1 in human WI 38 cells
50027672	2	ChEMBL_560709 (CHEMBL1010844)	Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay
50027673	7	ChEMBL_560710 (CHEMBL1010845)	Antagonist activity at CCR5 receptor by radiolabeled RANTES binding assay
50027673	1	ChEMBL_560713 (CHEMBL1010848)	Inhibition of CCR1 receptor
50027673	2	ChEMBL_560714 (CHEMBL1010849)	Inhibition of CCR2 receptor
50027673	3	ChEMBL_560715 (CHEMBL1010850)	Inhibition of CCR3 receptor
50027673	4	ChEMBL_560716 (CHEMBL1010851)	Inhibition of CCR4 receptor
50027673	5	ChEMBL_560717 (CHEMBL1010852)	Inhibition of CCR6 receptor
50027673	6	ChEMBL_560718 (CHEMBL1010853)	Inhibition of CXCR4 receptor
50027674	6	ChEMBL_560755 (CHEMBL1011723)	Inhibition of CYP1A2
50027674	4	ChEMBL_560757 (CHEMBL1011725)	Inhibition of CYP3A4 green
50027674	5	ChEMBL_560756 (CHEMBL1011724)	Inhibition of CYP3A4 red
50027674	1	ChEMBL_560760 (CHEMBL1011728)	Inhibition of CYP2D6
50027674	7	ChEMBL_560759 (CHEMBL1011727)	Inhibition of CYP2C19
50027674	3	ChEMBL_560758 (CHEMBL1011726)	Inhibition of CYP2C9
50027674	2	ChEMBL_560754 (CHEMBL1011722)	Binding affinity to human ERG
50046839	1	ChEMBL_1526706 (CHEMBL3636244)	Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate
50046839	2	ChEMBL_1526710 (CHEMBL3636248)	Competitive inhibition of mushroom tyrosinase polyphenol oxidase activity using L-DOPA as substrate by Dixon plot analysis
50032374	4	ChEBML_665227	Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS
50032374	3	ChEBML_665229	Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells
50032374	6	ChEBML_665230	Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells
50032374	5	ChEBML_665226	Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H]GGPP into H-Ras-CVLL
50027679	2	ChEMBL_560779 (CHEMBL1011746)	Inhibition of JAK2
50027679	1	ChEMBL_560780 (CHEMBL1011747)	Inhibition of JAK3
50027680	9	ChEMBL_560793 (CHEMBL1011760)	Binding affinity to SRC
50027680	10	ChEMBL_558461 (CHEMBL963867)	Binding affinity to ABL
50027680	3	ChEMBL_558462 (CHEMBL963868)	Binding affinity to LCK
50027680	4	ChEMBL_558463 (CHEMBL963869)	Binding affinity to FGFR1
50027680	1	ChEMBL_558464 (CHEMBL963870)	Binding affinity to ECK
50027680	2	ChEMBL_558465 (CHEMBL963871)	Binding affinity to Aurora A
50027680	7	ChEMBL_558466 (CHEMBL963872)	Binding affinity to VEGFR2
50027680	8	ChEMBL_558467 (CHEMBL963873)	Binding affinity to MAP3K9
50027680	5	ChEMBL_558468 (CHEMBL963874)	Binding affinity to BTK
50027680	6	ChEMBL_558469 (CHEMBL963875)	Binding affinity to CLK1
50027680	11	ChEMBL_558470 (CHEMBL963876)	Binding affinity to TRAK-A
50027680	12	ChEMBL_558471 (CHEMBL963877)	Binding affinity to PKC beta2
50027680	13	ChEMBL_558472 (CHEMBL963878)	Binding affinity to MST2
50027681	4	ChEMBL_558480 (CHEMBL963886)	Inhibition of CYP1A2
50027681	3	ChEMBL_558481 (CHEMBL963887)	Inhibition of CYP2C19
50027681	2	ChEMBL_558482 (CHEMBL963888)	Inhibition of CYP2C9
50027681	1	ChEMBL_558483 (CHEMBL963889)	Inhibition of CYP2D6
50027681	5	ChEMBL_558484 (CHEMBL963890)	Inhibition of CYP3A4
50027685	2	ChEMBL_558495 (CHEMBL963901)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane
50027685	1	ChEMBL_558496 (CHEMBL963902)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO cells
50027686	1	ChEMBL_558497 (CHEMBL963903)	Inhibition of mushroom tyrosinase
50027688	3	ChEMBL_558516 (CHEMBL963082)	Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum
50027688	2	ChEMBL_558515 (CHEMBL963081)	Displacement of [3H]PGE2 from human EP3 receptor
50027688	1	ChEMBL_558524 (CHEMBL963090)	Displacement of [3H]PGE2 from mouse EP3 receptor
50027704	1	ChEMBL_558736 (CHEMBL954138)	Inhibition of bovine milk xanthine oxidoreductase
50037053	31	ChEMBL_158682 (CHEMBL766072)	Inhibition of chimeric PDGF receptor with FLT-3 cytoplasmic domain phosphorylation in CHO cells
50037053	32	ChEMBL_158651 (CHEMBL763437)	Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma
50037053	20	ChEMBL_90267 (CHEMBL699132)	Inhibition of Insulin receptor
50037053	3	ChEMBL_158652 (CHEMBL763438)	Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma
50037053	21	ChEMBL_70491 (CHEMBL676888)	Inhibition of Fibroblast growth factor receptor
50037053	33	ChEMBL_214113 (CHEMBL820699)	Inhibition of Vascular endothelial growth factor receptor 2
50037053	28	ChEMBL_68345 (CHEMBL680866)	Inhibition of Extracellular signal-regulated kinase 2 (Erk2)
50037053	13	ChEMBL_158654 (CHEMBL763440)	Inhibition of wild type Platelet-derived growth factor receptor beta phosphorylation in CHO cells
50037053	27	ChEMBL_161917 (CHEMBL767996)	Inhibition of protein kinase A (PKA)
50037053	34	ChEMBL_202621 (CHEMBL805366)	Inhibition of Src protein tyrosine kinase
50037053	22	ChEMBL_70490 (CHEMBL676887)	Inhibition of Fibroblast growth factor receptor
50037053	24	ChEMBL_123997 (CHEMBL734025)	Inhibition of Mitogen activated protein kinase kinase 6
50037053	26	ChEMBL_226181 (CHEMBL846548)	Inhibition of Abl tyrosine kinase
50037053	23	ChEMBL_123853 (CHEMBL731428)	Inhibition of Mitogen activated protein kinase kinase 1
50037053	29	ChEMBL_162412 (CHEMBL772645)	Inhibition Protein kinase C (PKC)
50037053	25	ChEMBL_124325 (CHEMBL732633)	Inhibition of Mitogen-activated protein kinase p38
50037053	30	ChEMBL_123990 (CHEMBL732811)	Inhibition of Mitogen activated protein kinase kinase 4
50037357	5	ChEMBL_305521 (CHEMBL827658)	Inhibition of Beta-glucosidase of rat intestine; no inhibition
50037357	4	ChEMBL_305559 (CHEMBL828578)	Inhibition of Beta-galactosidase of bovine liver; no inhibition
50037430	7	ChEMBL_302447 (CHEMBL875206)	Binding affinity against cathepsin S
50037430	8	ChEMBL_303092 (CHEMBL828764)	Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)
50037430	9	ChEMBL_302567 (CHEMBL839529)	Binding affinity against human cathepsin K
50037430	10	ChEMBL_302400 (CHEMBL829645)	Binding affinity against cruzaine
50037437	5	ChEMBL_305271 (CHEMBL876992)	Inhibition of Phosphodiesterase 3
50027706	2	ChEMBL_558763 (CHEMBL1019892)	Inhibition of GST fused Bcl-2 binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay
50027706	1	ChEMBL_558764 (CHEMBL1019893)	Inhibition of GST fused Bcl-xL binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay
50027706	4	ChEMBL_558765 (CHEMBL1019894)	Inhibition of GST fused Bcl-2 binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay
50027706	3	ChEMBL_558766 (CHEMBL1019895)	Inhibition of GST fused Bcl-xL binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay
50027707	2	ChEMBL_558777 (CHEMBL1020770)	Agonist activity at alpha3beta4 nAChR expressed in HEK293 cells by FLIPR membrane potential assay
50027707	1	ChEMBL_558773 (CHEMBL1020766)	Displacement of [3H]epibatidine from alpha4beta2 nAChR expressed in HEK293 cells
50027707	5	ChEMBL_558774 (CHEMBL1020767)	Displacement of [3H]epibatidine from alpha3beta4 nAChR expressed in HEK293 cells
50027707	4	ChEMBL_558775 (CHEMBL1020768)	Displacement of [3H]epibatidine from alpha4beta4 nAChR expressed in HEK293 cells
50027707	3	ChEMBL_558776 (CHEMBL1020769)	Displacement of [3H]MLA from alpha7 nAChR/5HT3A receptor expressed in HEK293 cells
50027713	4	ChEMBL_565114 (CHEMBL965758)	Inhibition of histidine-tagged full length human Cdc25B expressed in Escherichia coli
50027713	3	ChEMBL_565115 (CHEMBL965759)	Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain expressed in Escherichia coli
50027713	2	ChEMBL_565116 (CHEMBL965760)	Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells
50027713	1	ChEMBL_565117 (CHEMBL955131)	Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)
50027717	66	ChEMBL_537081 (CHEMBL988913)	Binding affinity to human LTK
50027717	67	ChEMBL_537082 (CHEMBL988914)	Binding affinity to human ROS
50027717	68	ChEMBL_537083 (CHEMBL988915)	Binding affinity to human FAK
50027717	69	ChEMBL_537084 (CHEMBL988916)	Binding affinity to human PYK2
50027717	70	ChEMBL_537085 (CHEMBL988917)	Binding affinity to human TYK2
50027717	71	ChEMBL_537086 (CHEMBL988918)	Binding affinity to human KHS1
50037524	22	ChEMBL_302384 (CHEMBL830351)	Binding affinity for Cannabinoid receptor
50027717	73	ChEMBL_537088 (CHEMBL988920)	Binding affinity to human IRR
50027717	74	ChEMBL_537089 (CHEMBL988921)	Binding affinity to human TNK1
50027717	20	ChEMBL_537091 (CHEMBL988923)	Binding affinity to human BMX
50027717	8	ChEMBL_537092 (CHEMBL988924)	Binding affinity to human TXK
50027717	9	ChEMBL_537093 (CHEMBL988925)	Binding affinity to human BLK
50027717	6	ChEMBL_537094 (CHEMBL988926)	Binding affinity to human YES
50027717	7	ChEMBL_537095 (CHEMBL988927)	Binding affinity to human FYN
50027717	4	ChEMBL_537096 (CHEMBL988928)	Binding affinity to human FGR
50027717	5	ChEMBL_537097 (CHEMBL988929)	Binding affinity to human BRK
50027717	2	ChEMBL_537098 (CHEMBL988930)	Binding affinity to human CSK
50027717	3	ChEMBL_537099 (CHEMBL988931)	Binding affinity to human TYRO3
50027717	58	ChEMBL_537100 (CHEMBL988932)	Binding affinity to human EPHA3
50027717	57	ChEMBL_537101 (CHEMBL988933)	Binding affinity to human EPHA5
50027717	61	ChEMBL_537102 (CHEMBL988934)	Binding affinity to human EPHA4
50032374	7	ChEMBL_665226 (CHEMBL1260645)	Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H]GGPP into H-Ras-CVLL
50027717	63	ChEMBL_537104 (CHEMBL988936)	Binding affinity to human EPHB2
50027717	62	ChEMBL_537105 (CHEMBL988937)	Binding affinity to human EPHB3
50027717	65	ChEMBL_537106 (CHEMBL988938)	Binding affinity to human EPHA2
50027717	11	ChEMBL_537108 (CHEMBL988940)	Binding affinity to human ADCK4
50027717	10	ChEMBL_537109 (CHEMBL988941)	Binding affinity to human SLK
50027717	37	ChEMBL_537068 (CHEMBL986217)	Binding affinity to human MPSK1
50027717	21	ChEMBL_537110 (CHEMBL988942)	Binding affinity to human MARK1
50027717	12	ChEMBL_537111 (CHEMBL988943)	Binding affinity to human PIM2
50032374	2	ChEMBL_665230 (CHEMBL1260649)	Inhibition of Rap1A geranylgeranylation expressed in mouse NIH3T3 cells
50027717	14	ChEMBL_537113 (CHEMBL988945)	Binding affinity to human ARG
50027717	15	ChEMBL_537114 (CHEMBL988946)	Binding affinity to human CLK2
50027717	16	ChEMBL_537115 (CHEMBL988947)	Binding affinity to human CK1alpha2
50027717	17	ChEMBL_537116 (CHEMBL988948)	Binding affinity to human CK1delta
50032374	8	ChEMBL_665227 (CHEMBL1260646)	Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS
50027717	19	ChEMBL_537118 (CHEMBL988950)	Binding affinity to human MNK2
50027717	45	ChEMBL_537120 (CHEMBL988952)	Binding affinity to human NEK7
50027717	47	ChEMBL_537121 (CHEMBL988955)	Binding affinity to human GAK
50027717	34	ChEMBL_537122 (CHEMBL988956)	Binding affinity to human KIT
50027717	35	ChEMBL_537123 (CHEMBL988957)	Binding affinity to human PDGFRB
50027717	32	ChEMBL_537124 (CHEMBL988958)	Binding affinity to human FLT3
50027717	33	ChEMBL_537125 (CHEMBL988959)	Binding affinity to human LIMK2
50027717	38	ChEMBL_537126 (CHEMBL988960)	Binding affinity to human FRK
50027717	55	ChEMBL_538119 (CHEMBL1025761)	Inhibition of IKK-beta
50027717	23	ChEMBL_538120 (CHEMBL1025762)	Inhibition of JAK2 (unknown origin)
50027717	22	ChEMBL_538121 (CHEMBL1025763)	Inhibition of JNK3
50027717	30	ChEMBL_538123 (CHEMBL1025765)	Inhibition of AURA
50027717	28	ChEMBL_538125 (CHEMBL1025768)	Inhibition of AURC
50027717	29	ChEMBL_537124 (CHEMBL988958)	Binding affinity to human FLT3
50027717	25	ChEMBL_538127 (CHEMBL1025770)	Inhibition of SYK
50027717	26	ChEMBL_538128 (CHEMBL1025771)	Inhibition of GSK3-beta
50027717	24	ChEMBL_538129 (CHEMBL1025772)	Inhibition of TGFBR1
50027717	1	ChEMBL_538130 (CHEMBL1025773)	Binding affinity to human AKT3
50027717	46	ChEMBL_537061 (CHEMBL986210)	Binding affinity to human PIM1
50027717	44	ChEMBL_537062 (CHEMBL986211)	Binding affinity to human LKB1
50027717	43	ChEMBL_537063 (CHEMBL986212)	Binding affinity to human TNIK
50027717	42	ChEMBL_537064 (CHEMBL986213)	Binding affinity to human MST2
50027717	41	ChEMBL_537065 (CHEMBL986214)	Binding affinity to human NEK2
50032374	1	ChEMBL_665229 (CHEMBL1260648)	Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells
50027717	39	ChEMBL_537067 (CHEMBL986216)	Binding affinity to human AXL
50027717	50	ChEMBL_537070 (CHEMBL986219)	Binding affinity to human p38-gamma
50027717	48	ChEMBL_537072 (CHEMBL986221)	Binding affinity to human DRAK2
50027717	49	ChEMBL_537073 (CHEMBL988953)	Binding affinity to human SRPK1
50027717	54	ChEMBL_537074 (CHEMBL988954)	Binding affinity to human MSK1
50027717	56	ChEMBL_537075 (CHEMBL988907)	Binding affinity to human MSK2
50027717	52	ChEMBL_537076 (CHEMBL988908)	Binding affinity to human AMPKA1
50027717	53	ChEMBL_537077 (CHEMBL988909)	Binding affinity to human BRSK2
50027717	60	ChEMBL_537079 (CHEMBL988911)	Binding affinity to human PAK2
50027717	75	ChEMBL_537080 (CHEMBL988912)	Binding affinity to human FES
50027720	2	ChEMBL_545004 (CHEMBL1014639)	Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting
50027720	1	ChEMBL_545005 (CHEMBL1014640)	Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting
50027722	1	ChEMBL_544163 (CHEMBL1014227)	Inhibition of CYP3A4
50027722	2	ChEMBL_544162 (CHEMBL1014226)	Inhibition of CYP2D6
50027722	6	ChEMBL_544161 (CHEMBL1014225)	Inhibition of CYP2C9
50027722	7	ChEMBL_544160 (CHEMBL1014224)	Inhibition of CYP2C19
50027722	3	ChEMBL_544159 (CHEMBL1014223)	Inhibition of CYP1A2
50027722	4	ChEMBL_544238 (CHEMBL1010713)	Binding affinity to rat EP1 receptor
50027722	5	ChEMBL_544237 (CHEMBL1010712)	Binding affinity to human EP1 receptor
50027725	4	ChEMBL_559006 (CHEMBL1010203)	Inhibition of matriptase
50027725	3	ChEMBL_559005 (CHEMBL1010202)	Inhibition of plasmin
50027725	2	ChEMBL_559004 (CHEMBL1010201)	Inhibition of uPA
50027725	1	ChEMBL_559003 (CHEMBL1010200)	Inhibition of thrombin
50027725	5	ChEMBL_559007 (CHEMBL1010204)	Inhibition of factor 10a
50027730	1	ChEMBL_559237 (CHEMBL1014656)	Inhibition of TNSALP
50027730	3	ChEMBL_559238 (CHEMBL1014657)	Inhibition of PLAP
50027730	2	ChEMBL_559239 (CHEMBL1014658)	Inhibition of GAPDH
50027733	4	ChEMBL_559248 (CHEMBL1014667)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux
50027733	2	ChEMBL_559259 (CHEMBL1015447)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of low pH-induced calcium influx
50033842	8	ChEMBL_766743 (CHEMBL1827521)	Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
50033842	6	ChEMBL_766764 (CHEMBL1827704)	Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric analysis
50037558	22	ChEMBL_302337 (CHEMBL875195)	Ki value against bovine alpha-L-fucosidase
50037558	23	ChEMBL_304782 (CHEMBL829476)	Inhibitory concentration against beta-glucosidase
50037558	4	ChEMBL_304934 (CHEMBL826964)	Inhibitory concentration against human beta-glucosidase
50037558	16	ChEMBL_305460 (CHEMBL830956)	Inhibitory concentration against bovine alpha-L-fucosidase
50037558	12	ChEMBL_305123 (CHEMBL831591)	Inhibitory concentration against human alpha-L-fucosidase
50037581	5	ChEMBL_303159 (CHEMBL829132)	Inhibitory activity against binding of Fibrinogen to thrombocyte alpha IIb beta-3 integrin
50046840	1	ChEMBL_1538537 (CHEMBL3738589)	Inhibition of human recombinant HDAC1 by microplate reader assay
50046840	2	ChEMBL_1538540 (CHEMBL3738592)	Binding affinity to human recombinant HDAC8 by fluorescence assay
50046841	3	ChEMBL_1538691 (CHEMBL3739209)	Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradiography
50046841	4	ChEMBL_1538692 (CHEMBL3736682)	Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography
50027736	1	ChEMBL_559467 (CHEMBL1018148)	Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method
50027736	2	ChEMBL_559466 (CHEMBL1018147)	Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by ELISA
50046841	1	ChEBML_1538691	Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 insect cells using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 15 mins by autoradiography
50046841	2	ChEBML_1538692	Inhibition of CDK9/Cyclin-T1 (unknown origin) using UlightCFFKNIVTPRTPPPSQGK-amide substrate after 90 mins by autoradiography
50046842	1	ChEBML_1540144	Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry
50046842	2	ChEBML_1540145	Inhibition of human MAO-A expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry
50046843	1	ChEBML_1539778	Inhibition of human recombinant ERK5 by LANCE assay
50046843	2	ChEBML_1539779	Inhibition of human recombinant DYRK2 by LANCE assay
50046843	3	ChEBML_1539757	Inhibition of human recombinant GRK2 by LANCE assay
50046843	4	ChEBML_1539759	Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
50046844	1	ChEBML_1537818	Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substrate after 30 mins by plate reader analysis
50027742	1	ChEMBL_544516 (CHEMBL1013488)	Inhibition of angiotensin-converting enzyme in whole blood by HPLC
50046845	1	ChEMBL_1539848 (CHEMBL3737116)	Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flux by FLIPR assay
50046845	2	ChEMBL_1539846 (CHEMBL3737114)	Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells
50046845	3	ChEBML_1539846	Displacement of [3H]furoyl-LIGRL-NH2 from human protease-activated receptor 2 in NCTC-2544 cells
50046846	1	ChEBML_1540331	Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay
50046847	1	ChEMBL_1542247 (CHEMBL3745469)	Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assay
50046848	1	ChEBML_1542254	Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis
50046849	3	ChEMBL_1540590 (CHEMBL3744242)	Negative allosteric modulation of rat GluN1a/GluN2A receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 uM glycine glycine induced-current by voltage clamp recording method
50027743	1	ChEMBL_559513 (CHEMBL1018986)	Inhibition of human MMP13
50027744	2	ChEMBL_544523 (CHEMBL1014287)	Inhibition of voltage-gated Kv1.3 potassium channel expressed in CHO cells by 86Rb efflux experiment
50027744	1	ChEMBL_544524 (CHEMBL1014288)	Antagonist activity at voltage-gated Kv1.3 potassium channel
50046849	1	ChEBML_1540592	Negative allosteric modulation of rat GluN1a/GluN2C receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 uM glycine induced-current by voltage clamp recording method
50046849	2	ChEMBL_1540591 (CHEMBL3744243)	Negative allosteric modulation of rat GluN1a/GluN2B receptor expressed in Xenopus laevis oocytes assessed as suppression of 100 uM glutamate and 30 uM glycine induced-current by voltage clamp recording method
50046850	1	ChEBML_1542835	Inhibition of human PDE1B using [3H]cAMP as substrate after 30 mins by scintillation proximity assay
50046851	1	ChEBML_1540610	Inhibition of amyloid beta (1 to 40 residues) (unknown origin) aggregation incubated for 72 hrs by Thioflavin T assay
50046852	1	ChEMBL_1541986 (CHEMBL3743872)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay
50046852	4	ChEMBL_1541984 (CHEMBL3743870)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 2 hrs by TR-FRET assay
50046852	2	ChEMBL_1541803 (CHEMBL3742617)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 20 mins by TR-FRET assay
50046852	3	ChEBML_1541804	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay
50046853	6	ChEMBL_1545547 (CHEMBL3749462)	Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence of [gamma-32P]-ATP
50046853	1	ChEBML_1545545	Inhibition of glycogen synthase kinase-3 (unknown origin)
50046853	7	ChEMBL_1545545 (CHEMBL3749460)	Inhibition of glycogen synthase kinase-3 (unknown origin)
50046853	2	ChEBML_1545547	Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence of [gamma-32P]-ATP
50027747	1	ChEMBL_544730 (CHEMBL1010168)	Binding affinity to human coagulation factor 10a
50027748	4	ChEMBL_559524 (CHEMBL1018997)	Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate
50027748	3	ChEMBL_559525 (CHEMBL1018998)	Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burke plot based kinetic assay
50027748	1	ChEMBL_559527 (CHEMBL1019000)	Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate by Lineweaver-Burke plot based kinetic assay
50027748	2	ChEMBL_559526 (CHEMBL1018999)	Inhibition of diphenolase activity of mushroom tyrosinase using as L-DOPA substrate
50027749	1	ChEMBL_538134 (CHEMBL1025777)	Displacement of fluorescently tagged SM5F from human cIAP-1 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay
50027749	2	ChEMBL_537310 (CHEMBL985406)	Displacement of fluorescently tagged SM5F from human cIAP-2 BIR3 expressed in Escherichia coli BL21 cells by fluorescence polarization assay
50027751	5	ChEMBL_537822 (CHEMBL989823)	Inhibition of full length human PDE4D2 expressed in Escherichia coli BL21 by liquid scintillation counting
50027751	3	ChEMBL_537823 (CHEMBL989824)	Inhibition of human cloned PDE7A1 catalytic domain expressed in Escherichia coli BL21 by liquid scintillation counting
50027751	4	ChEMBL_537824 (CHEMBL989825)	Inhibition of human cloned PDE9A2 expressed in Escherichia coli BL21 by liquid scintillation counting
50027751	1	ChEMBL_537825 (CHEMBL989826)	Inhibition of human cloned PDE2A3 expressed in Escherichia coli BL21 by liquid scintillation counting
50046854	1	ChEBML_1544122	Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production incubated for 15 mins post interleukin-1beta challenge for 72 hrs by RP-HPLC analysis
50027752	9	ChEMBL_537834 (CHEMBL989835)	Inhibition of human CYP11B2 expressed in hamster V79 MZh cells
50027752	2	ChEMBL_537841 (CHEMBL989842)	Inhibition of human placental CYP19
50027752	1	ChEMBL_537842 (CHEMBL989843)	Inhibition of human recombinant CYP1A2 expressed in baculovirus-infected insect microsomes
50027752	4	ChEMBL_537843 (CHEMBL989844)	Inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect microsomes
50027752	3	ChEMBL_537844 (CHEMBL989845)	Inhibition of human recombinant CYP2C9 expressed in baculovirus-infected insect microsomes
50046855	1	ChEMBL_1543610 (CHEMBL3750871)	Inhibition of His-tagged human HER-2 cytoplasmic domain (676-1245 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry
50027752	7	ChEMBL_537845 (CHEMBL989846)	Inhibition of human recombinant CYP2C19 expressed in baculovirus-infected insect microsomes
50027752	8	ChEMBL_537846 (CHEMBL989847)	Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes
50027752	6	ChEMBL_537847 (CHEMBL989848)	Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect microsomes
50027752	10	ChEMBL_537835 (CHEMBL989836)	Inhibition of human CYP11B1 expressed in hamster V79 MZh cells
50027753	5	ChEMBL_537865 (CHEMBL990676)	Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrate
50027753	3	ChEMBL_537866 (CHEMBL990677)	Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate
50027753	2	ChEMBL_537867 (CHEMBL990679)	Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrate
50027753	1	ChEMBL_537868 (CHEMBL990680)	Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrate
50027753	4	ChEMBL_537869 (CHEMBL990681)	Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate
50027764	2	ChEMBL_560895 (CHEMBL1013530)	Inhibition of Electric eel AChE
50027764	1	ChEMBL_560896 (CHEMBL1013531)	Inhibition of BuChE from equine serum
50046855	2	ChEMBL_1543611 (CHEMBL3750872)	Inhibition of His-tagged EGFR cytoplasmic domain (645-1186 aa) (unknown origin) assessed as inhibition of autophosphorylation by TR-fluorometry
50046856	1	ChEMBL_1543634 (CHEMBL3750895)	Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA as substrate preincubated with protein followed by substrate addition measured every 2 mins for 60 mins by microplate reader analysis
50027766	1	ChEMBL_560914 (CHEMBL1013549)	Displacement of [3H]WIN-35428 from DAT
50027766	3	ChEMBL_560915 (CHEMBL1013550)	Displacement of [3H]paroxetine from 5HTT
50027766	2	ChEMBL_560916 (CHEMBL1013551)	Displacement of [3H]nisoxetine from NET
50046857	1	ChEMBL_1544135 (CHEMBL3750754)	Displacement of [125I-BDZ-1] from human CCK1R V3.36A mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	2	ChEMBL_1544136 (CHEMBL3750755)	Displacement of [125I-BDZ-1] from human CCK1R W6.48A mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	3	ChEMBL_1544137 (CHEMBL3750756)	Displacement of [125I-CCK] from human CCK1R M3.32A mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	4	ChEMBL_1544138 (CHEMBL3750757)	Displacement of [125I-CCK] from human CCK1R V3.36A mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	5	ChEMBL_1544139 (CHEMBL3750758)	Displacement of [125I-CCK] from human CCK1R W6.48A mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	6	ChEMBL_1544141 (CHEMBL3750760)	Agonist activity at human CCK1R V3.36A mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	7	ChEMBL_1544133 (CHEMBL3750752)	Agonist activity at human CCK1R W6.48A mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	8	ChEMBL_1544142 (CHEMBL3750761)	Displacement of [125I]-BDZ-1 from wild-type rat CCK1R expressed in COS cells after 60 mins by scintillation counter
50046857	9	ChEMBL_1544143 (CHEMBL3750901)	Displacement of [125I]-BDZ-1 from rat CCK1R Ala-317,321,325 non dimerizing mutant expressed in COS cells after 60 mins by scintillation counter
50046857	10	ChEMBL_1543644 (CHEMBL3751028)	Displacement of [125I-BDZ-1] from wild-type human CCK1R expressed in CHO cells after 60 mins by scintillation counter
50046857	11	ChEMBL_1543645 (CHEMBL3751029)	Displacement of [125I-BDZ-2] from wild-type human CCK2R expressed in CHO cells after 60 mins by scintillation counter
50046857	12	ChEMBL_1543640 (CHEMBL3751024)	Displacement of [125I-CCK] from wild-type human CCK1R expressed in CHO cells after 60 mins by scintillation counter
50046857	13	ChEMBL_1543641 (CHEMBL3751025)	Displacement of [125I-CCK] from wild-type human CCK2R expressed in CHO cells after 60 mins by scintillation counter
50046857	14	ChEMBL_1543642 (CHEMBL3751026)	Displacement of [125I-CCK] from wild-type human CCK1R at allosteric site expressed in CHO cells after 60 mins by scintillation counter
50046857	15	ChEMBL_1543643 (CHEMBL3751027)	Displacement of [125I-CCK] from wild-type human CCK2R at allosteric site expressed in CHO cells after 60 mins by scintillation counter
50046857	16	ChEMBL_1543639 (CHEMBL3750900)	Partial agonist activity at wild-type human CCK2R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	17	ChEMBL_1543637 (CHEMBL3750898)	Agonist activity at wild-type human CCK1R expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	18	ChEMBL_1543646 (CHEMBL3751030)	Displacement of [125I-BDZ-1] from wild-type human CCK1R at allosteric site expressed in CHO cells after 60 mins by scintillation counter
50046857	19	ChEMBL_1543647 (CHEMBL3751031)	Displacement of [125I-BDZ-2] from wild-type human CCK2R at allosteric site expressed in CHO cells after 60 mins by scintillation counter
50046857	20	ChEMBL_1543648 (CHEMBL3751032)	Agonist activity at human CCK1R N2.61T mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	21	ChEMBL_1543649 (CHEMBL3751033)	Agonist activity at human CCK1R T3.28V, T3.29S mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	22	ChEMBL_1543650 (CHEMBL3751034)	Agonist activity at human CCK1R I6.51V, F6.52Y mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	23	ChEMBL_1543652 (CHEMBL3751036)	Agonist activity at human CCK2R T2.61N mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	24	ChEMBL_1543653 (CHEMBL3751037)	Agonist activity at human CCK2R V3.28T, S3.29T mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	25	ChEMBL_1543654 (CHEMBL3751038)	Agonist activity at human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	26	ChEMBL_1543655 (CHEMBL3751039)	Agonist activity at human CCK2R H7.39L mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046857	27	ChEMBL_1543656 (CHEMBL3751040)	Displacement of [125I-BDZ-1] from human CCK1R N2.61T mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	28	ChEMBL_1543657 (CHEMBL3751041)	Displacement of [125I-BDZ-1] from human CCK1R T3.28V, T3.29S mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	29	ChEMBL_1543658 (CHEMBL3751042)	Displacement of [125I-BDZ-1] from human CCK1R I6.51V, F6.52Y mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	30	ChEMBL_1543659 (CHEMBL3751043)	Displacement of [125I-BDZ-1] from human CCK1R L7.39H mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	31	ChEMBL_1543660 (CHEMBL3751044)	Displacement of [125I-CCK] from human CCK1R N2.61T mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	32	ChEMBL_1543661 (CHEMBL3751045)	Displacement of [125I-CCK] from human CCK1R T3.28V, T3.29S mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	33	ChEMBL_1544123 (CHEMBL3750742)	Displacement of [125I-CCK] from human CCK1R I6.51V, F6.52Y mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	34	ChEMBL_1544124 (CHEMBL3750743)	Displacement of [125I-CCK] from human CCK1R L7.39H mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	35	ChEMBL_1544126 (CHEMBL3750745)	Displacement of [125I-BDZ-2] from human CCK2R V3.28T, S3.29T mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	36	ChEMBL_1544127 (CHEMBL3750746)	Displacement of [125I-BDZ-2] from human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	37	ChEMBL_1544128 (CHEMBL3750747)	Displacement of [125I-BDZ-2] from human CCK2R H7.39L mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	38	ChEMBL_1544129 (CHEMBL3750748)	Displacement of [125I-CCK] from human CCK2R T2.61N mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	39	ChEMBL_1544130 (CHEMBL3750749)	Displacement of [125I-CCK] from human CCK2R V3.28T, S3.29T mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	40	ChEMBL_1544131 (CHEMBL3750750)	Displacement of [125I-CCK] from human CCK2R V6.51I, Y6.52F mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	41	ChEMBL_1544132 (CHEMBL3750751)	Displacement of [125I-CCK] from human CCK2R H7.39L mutant expressed in CHO cells after 60 mins by scintillation counter
50046857	42	ChEMBL_1544134 (CHEMBL3750753)	Displacement of [125I-BDZ-1] from human CCK1R M3.32A mutant expressed in CHO cells after 60 mins by scintillation counter
50027770	1	ChEMBL_561228 (CHEMBL1012774)	Inhibition of reconstituted CYP2C9
50027770	2	ChEMBL_561231 (CHEMBL1012777)	Inhibition of purified CYP2C9
50027771	2	ChEMBL_561244 (CHEMBL1013599)	Inhibition of mouse 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA
50027771	3	ChEMBL_561245 (CHEMBL1013600)	Inhibition of rat 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA
50027771	1	ChEMBL_561246 (CHEMBL1013601)	Inhibition of dog 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA
50027771	7	ChEMBL_561232 (CHEMBL1012778)	Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay
50027771	8	ChEMBL_561233 (CHEMBL1013588)	Inhibition of human 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA
50027771	9	ChEMBL_561274 (CHEMBL1016222)	Inhibition of human 11beta-HSD2 expressed in CHO cells using [3H]cortisol by scintillation proximity assay
50027771	5	ChEMBL_561240 (CHEMBL1013595)	Inhibition of mouse recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay
50027771	6	ChEMBL_561241 (CHEMBL1013596)	Inhibition of rat recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay
50027771	4	ChEMBL_561242 (CHEMBL1013597)	Inhibition of dog recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay
50027774	15	ChEMBL_561596 (CHEMBL1019774)	Inhibition of JAK3
50027774	16	ChEMBL_561597 (CHEMBL1019775)	Inhibition of JAK2
50027774	17	ChEMBL_561598 (CHEMBL1019776)	Inhibition of JAK1
50027774	5	ChEMBL_561602 (CHEMBL1019780)	Binding affinity to DCamkL3
50027774	6	ChEMBL_561603 (CHEMBL1019781)	Binding affinity to MST2
50027774	1	ChEMBL_561604 (CHEMBL1019782)	Binding affinity to PKN1
50027774	3	ChEMBL_561605 (CHEMBL1019783)	Binding affinity to RPS6KA2 kinase domain.2- C-terminal
50027774	9	ChEMBL_561606 (CHEMBL1019784)	Binding affinity to RPS6KA6 kinase domain.2- C-terminal
50027774	10	ChEMBL_561607 (CHEMBL1017050)	Binding affinity to SNARK
50027774	7	ChEMBL_561608 (CHEMBL1017051)	Binding affinity to Tnk1
50027774	8	ChEMBL_561609 (CHEMBL1017052)	Binding affinity to TYK2
50027774	12	ChEMBL_561601 (CHEMBL1019779)	Binding affinity to Camk1
50027774	4	ChEMBL_561615 (CHEMBL1017873)	Binding affinity to MAP4K5
50027774	2	ChEMBL_561614 (CHEMBL1017057)	Binding affinity to MAP4K3
50027774	13	ChEMBL_561611 (CHEMBL1017054)	Binding affinity to Mst1
50027774	14	ChEMBL_561612 (CHEMBL1017055)	Binding affinity to Mst2
50027774	11	ChEMBL_561600 (CHEMBL1019778)	Inhibition of Lck
50027775	4	ChEMBL_561950 (CHEMBL1021468)	Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells
50027775	1	ChEMBL_561947 (CHEMBL1021465)	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells
50027775	3	ChEMBL_561947 (CHEMBL1021465)	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells
50027776	1	ChEMBL_561954 (CHEMBL1010017)	Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells
50027776	2	ChEMBL_561955 (CHEMBL1010018)	Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells
50046857	43	ChEMBL_1543651 (CHEMBL3751035)	Agonist activity at human CCK1R L7.39H mutant expressed in CHO cells assessed as intracellular calcium response by fluorescence analysis
50046858	1	ChEMBL_1544594 (CHEMBL3750438)	Inhibition of human recombinant DHFR expressed in Escherichia coli by spectrophotometric analysis
50046859	1	ChEMBL_1544630 (CHEMBL3750474)	Inhibition of FGR (unknown origin)
50046859	2	ChEMBL_1544631 (CHEMBL3750475)	Inhibition of MELK (unknown origin)
50046859	3	ChEMBL_1544632 (CHEMBL3750476)	Inhibition of Src (unknown origin)
50046859	4	ChEMBL_1544943 (CHEMBL3748502)	Inhibition of BTK in Balb/c mouse B cells assessed as inhibition of anti-IgM-stimulated CD86 expression by flow cytometry
50046859	5	ChEMBL_1544942 (CHEMBL3748501)	Inhibition of BTK (unknown origin) by Lanthascreen assay
50027780	5	ChEMBL_561991 (CHEMBL1010054)	Inhibition of MMP16
50027780	7	ChEMBL_561993 (CHEMBL1010056)	Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay
50027780	4	ChEMBL_561994 (CHEMBL1010057)	Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay
50027780	2	ChEMBL_561995 (CHEMBL1010058)	Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydrase assay
50027780	3	ChEMBL_561985 (CHEMBL1010048)	Inhibition of MMP1
50027780	1	ChEMBL_561986 (CHEMBL1010049)	Inhibition of human recombinant MMP2 transfected in mouse melanoma cells
50027780	11	ChEMBL_561987 (CHEMBL1010050)	Inhibition of MMP8
50027780	9	ChEMBL_561989 (CHEMBL1010052)	Inhibition of MMP13
50027780	8	ChEMBL_561992 (CHEMBL1010055)	Inhibition of TACE
50046859	6	ChEMBL_1544628 (CHEMBL3750472)	Inhibition of BMX (unknown origin)
50046859	7	ChEMBL_1544629 (CHEMBL3750473)	Inhibition of TEC (unknown origin)
50027781	2	ChEMBL_562006 (CHEMBL1010944)	Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level
50046860	1	ChEMBL_1544649 (CHEMBL3750622)	Inhibition of human recombinant PDE4B1 expressed in insect Sf9 cells by fluorescence capillary-electrophoresis assay
50027781	4	ChEMBL_561999 (CHEMBL1010062)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50027781	3	ChEMBL_562000 (CHEMBL1010063)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells
50027782	2	ChEMBL_556932 (CHEMBL957387)	Antagonist activity at rat CGRP1 receptor
50046860	2	ChEMBL_1544648 (CHEMBL3750621)	Inhibition of PDE4 in human SHSY-5Y cells assessed as suppression of cAMP hydrolysis by HTRF assay in presence of dye d2 labelled cAMP
50046860	3	ChEMBL_1544650 (CHEMBL3750623)	Inhibition of human recombinant PDE3 by fluorescence capillary-electrophoresis assay
50046861	1	ChEMBL_1544990 (CHEMBL3749855)	Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization
50027782	1	ChEMBL_556927 (CHEMBL954953)	Antagonist activity at human adrenomedullin 2 receptor expressed in CHO cells assessed as effect on cAMP accumulation
50027784	2	ChEMBL_556953 (CHEMBL958139)	Displacement of [125I]CXCL12 from CXCR4 in human CEM cells
50027784	6	ChEMBL_556954 (CHEMBL958140)	Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells
50027784	4	ChEMBL_556955 (CHEMBL958141)	Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization
50027784	9	ChEMBL_556956 (CHEMBL958142)	Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration
50027784	8	ChEMBL_556957 (CHEMBL958143)	Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration
50027784	15	ChEMBL_556960 (CHEMBL958146)	Inhibition of CYP1A2
50027784	16	ChEMBL_556961 (CHEMBL958147)	Inhibition of CYP2C9
50027784	17	ChEMBL_556962 (CHEMBL958148)	Inhibition of CYP2C19
50027784	7	ChEMBL_556963 (CHEMBL958149)	Inhibition of CYP2D6
50027784	5	ChEMBL_556964 (CHEMBL958150)	Inhibition of CYP3A4
50027784	3	ChEMBL_556965 (CHEMBL958151)	Inhibition of human recombinant ERG in CHOK1 cells
50027784	1	ChEMBL_556966 (CHEMBL958152)	Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells
50027785	1	ChEMBL_556993 (CHEMBL958179)	Inhibition of recombinant RET active protein by immunoblotting
50027790	3	ChEMBL_560999 (CHEMBL1015239)	Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter gene assay
50027790	1	ChEMBL_561007 (CHEMBL1015247)	Binding affinity to oxytocin receptor
50027790	4	ChEMBL_561008 (CHEMBL1015248)	Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay
50027790	2	ChEMBL_561010 (CHEMBL1015250)	Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter gene assay
50027791	2	ChEMBL_561011 (CHEMBL1015251)	Inhibition of human recombinant MAOB expressed in Pichia pastoris by kinetic assay
50027791	1	ChEMBL_561012 (CHEMBL1015252)	Inhibition of rat membrane MAOB
50027791	4	ChEMBL_561019 (CHEMBL1015259)	Inhibition of human recombinant MAOA expressed in Pichia pastoris by kinetic assay
50027791	3	ChEMBL_561021 (CHEMBL1015261)	Inhibition of human MAOA
50046861	2	ChEMBL_1544992 (CHEMBL3749857)	Antagonist activity at human mGlu3 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization
50046861	3	ChEMBL_1544994 (CHEMBL3749859)	Positive allosteric modulation of human mGlu1 receptor expressed in HEK293 cells assessed as calcium mobilization by fluorescence analysis
50046861	4	ChEMBL_1544995 (CHEMBL3749860)	Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells assessed as calcium mobilization by fluorescence analysis
50046861	5	ChEMBL_1544996 (CHEMBL3749861)	Positive allosteric modulation of human mGlu7 receptor expressed in HEK293 cells assessed as calcium mobilization by fluorescence analysis
50046861	6	ChEMBL_1544997 (CHEMBL3749862)	Positive allosteric modulation of human mGlu8 receptor expressed in HEK293 cells assessed as calcium mobilization by fluorescence analysis
50046861	7	ChEMBL_1544998 (CHEMBL3749863)	Positive allosteric modulation of human mGlu4 receptor expressed in HEK293 cells assessed as calcium mobilization by fluorescence analysis
50046861	8	ChEMBL_1544999 (CHEMBL3749864)	Positive allosteric modulation of human mGlu4 receptor expressed in L929sA cells assessed as calcium mobilization by fluorescence analysis
50046861	9	ChEMBL_1545000 (CHEMBL3749865)	Positive allosteric modulation of human mGlu4 receptor expressed in HEK293 cells by [35S]-GTPgammaS binding assay
50046861	10	ChEMBL_1545001 (CHEMBL3749866)	Positive allosteric modulation of human mGlu4 receptor expressed in L929sA cells by [35S]-GTPgammaS binding assay
50046861	11	ChEMBL_1545002 (CHEMBL3749956)	Positive allosteric modulation of rat mGlu6 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay
50046861	12	ChEMBL_1545013 (CHEMBL3749967)	Inhibition of human ERG
50046862	1	ChEMBL_1545048 (CHEMBL3750002)	Displacement of [3H]-Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells after 90 mins
50046862	2	ChEMBL_1545049 (CHEMBL3750003)	Antagonist activity at human recombinant histamine H3 receptor expressed in HEK293 cells assessed as inhibition of forskolin/(R)(-)-alpha-methylhistamine-induced cAMP accumulation after 1 hr by TR-FRET immunoassay
50027795	2	ChEMBL_561312 (CHEMBL1017073)	Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells
50027795	3	ChEMBL_561313 (CHEMBL1017074)	Displacement of [3H]RTI-55 from human DAT transfected in human HEK293 cells
50027795	1	ChEMBL_561314 (CHEMBL1019694)	Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells
50027797	5	ChEMBL_562271 (CHEMBL1011814)	Binding affinity to neuropeptide Y1 receptor in human SK-N-MC cells by kinetic experiment
50027797	3	ChEMBL_562273 (CHEMBL1014464)	Binding affinity to neuropeptide Y1 receptor in human MCF7 cells by kinetic experiment
50027797	1	ChEMBL_562263 (CHEMBL1011806)	Displacement of [3H]propionyl-pNPY from neuropeptide Y1 receptor in human SK-N-MC cells
50027797	6	ChEMBL_562269 (CHEMBL1011812)	Binding affinity to neuropeptide Y1 receptor in human MCF7 cells
50027797	2	ChEMBL_562264 (CHEMBL1011807)	Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells
50027797	9	ChEMBL_562265 (CHEMBL1011808)	Displacement of Dy-635-pNPY from human neuropeptide Y2 receptor expressed in CHO cells coexpressing Galphaqi5 and aequorin by flow cytometric assay
50027797	8	ChEMBL_562266 (CHEMBL1011809)	Displacement of Dy-635-pNPY from human neuropeptide Y5 receptor expressed in HEC-1B cells by flow cytometric assay
50027797	7	ChEMBL_562267 (CHEMBL1011810)	Displacement of Cy5-[K4]-hPP from human neuropeptide Y4 receptor expressed in CHO cells coexpressing Galphaqi5 and aequorin by flow cytometric assay
50027797	4	ChEMBL_562270 (CHEMBL1011813)	Binding affinity to neuropeptide Y1 receptor in human SK-N-MC cells
50027800	2	ChEMBL_557374 (CHEMBL955704)	Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by radiometric assay
50027800	1	ChEMBL_557375 (CHEMBL955705)	Inhibition of PSMA in human LNCaP cell extract using [3H]NAAG by fluorescence-based assay
50027802	2	ChEMBL_557443 (CHEMBL961559)	Inhibition of human sFRP1 expressed in human U2OS assessed as luciferase activity by TCF-luciferase reporter gene assay
50027802	1	ChEMBL_557452 (CHEMBL961568)	Binding affinity to human sFRP1 by fluorescence spectroscopy
50027803	2	ChEMBL_557682 (CHEMBL962977)	Inhibition of human CDK2/Cyc2
50027803	10	ChEMBL_557682 (CHEMBL962977)	Inhibition of human CDK2/Cyc2
50027803	6	ChEMBL_557458 (CHEMBL962236)	Inhibition of human CDK4/CycD1
50027803	19	ChEMBL_557460 (CHEMBL962238)	Inhibition of human MET
50027803	18	ChEMBL_557464 (CHEMBL962242)	Inhibition of human TIE2
50027803	7	ChEMBL_557465 (CHEMBL962243)	Inhibition of human EGFR
50027803	8	ChEMBL_557469 (CHEMBL962247)	Inhibition of human IGF1R
50027803	4	ChEMBL_557470 (CHEMBL962248)	Inhibition of human VEGFR2
50027803	16	ChEMBL_557453 (CHEMBL961569)	Inhibition of human AKT1
50027803	14	ChEMBL_557461 (CHEMBL962239)	Inhibition of human PDGFRbeta
50027803	15	ChEMBL_557462 (CHEMBL962240)	Inhibition of human PLK1
50027803	17	ChEMBL_557463 (CHEMBL962241)	Inhibition of human SRC
50027803	9	ChEMBL_557466 (CHEMBL962244)	Inhibition of human EPHB4
50027803	12	ChEMBL_557467 (CHEMBL962245)	Inhibition of human ERBB2
50027803	13	ChEMBL_557468 (CHEMBL962246)	Inhibition of human FAK
50027803	11	ChEMBL_557454 (CHEMBL961570)	Inhibition of human ARK5
50027803	1	ChEMBL_557491 (CHEMBL964767)	Inhibition of human AXL
50027804	1	ChEMBL_557506 (CHEMBL964782)	Inhibition of telomerase by TRAP-LIG assay
50027806	6	ChEMBL_494047 (CHEMBL938581)	Displacement of [3H]spiroperidol from human cloned dopaminergic D2 receptor expressed in rat C6 cells
50027806	2	ChEMBL_494046 (CHEMBL938580)	Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in human HeLa cells
50027806	1	ChEMBL_494039 (CHEMBL938573)	Inhibition of ABCB1
50027806	5	ChEMBL_494040 (CHEMBL938574)	Inhibition of ABCG2
50027806	4	ChEMBL_494043 (CHEMBL938577)	Inhibition of ABCB1-mediated [3H]vinblastine transportation in human Caco-2 cells
50027806	3	ChEMBL_494044 (CHEMBL938578)	Inhibition of ABCB1 transfected in MDCK cells assessed as increase in calcein-AM accumulation
50027808	1	ChEMBL_559529 (CHEMBL1019002)	Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine
50027811	3	ChEMBL_559534 (CHEMBL1019007)	Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis
50027811	4	ChEMBL_559535 (CHEMBL1019008)	Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis preincubated before [3H]AEA substrate addition
50027811	5	ChEMBL_559536 (CHEMBL1019009)	Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis preincubated 15 mins before [3H]AEA substrate addition
50027811	2	ChEMBL_559537 (CHEMBL1019010)	Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis preincubated 30 mins before [3H]AEA substrate addition
50027811	1	ChEMBL_559538 (CHEMBL1019011)	Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis preincubated 60 mins before [3H]AEA substrate addition
50027813	1	ChEMBL_559741 (CHEMBL1013696)	Binding affinity to integrin alpha3beta1 expressed in human MDA-MB-231 cells by flow cytometry
50027818	1	ChEMBL_544744 (CHEMBL1010181)	Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA
50027832	2	ChEMBL_540171 (CHEMBL1029012)	Activity at human RARgamma ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay
50027832	1	ChEMBL_544804 (CHEMBL1011984)	Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay
50027832	3	ChEMBL_544806 (CHEMBL1011986)	Activity at human RARbeta ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay
50027833	2	ChEMBL_559992 (CHEMBL1018742)	Inhibition of endothelial lipase
50027833	1	ChEMBL_559993 (CHEMBL1018743)	Inhibition of Lipoprotein lipase from adipose tissue of rat
50027834	2	ChEMBL_559996 (CHEMBL1018746)	Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain
50027834	1	ChEMBL_559995 (CHEMBL1018745)	Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain
50027840	1	ChEMBL_540180 (CHEMBL1029809)	Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells
50027840	2	ChEMBL_540181 (CHEMBL1029810)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells
50027843	1	ChEMBL_540197 (CHEMBL1029826)	Inhibition of human recombinant his-tagged c-Met by TR-FRET assay
50027844	1	ChEMBL_560031 (CHEMBL1021551)	Inhibition of PGHS2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay
50027846	3	ChEMBL_494095 (CHEMBL942267)	Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method
50027846	1	ChEMBL_494097 (CHEMBL942269)	Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method
50027846	2	ChEMBL_494096 (CHEMBL942268)	Inhibition of NAT1 in human ZR75 cell lysate assessed as acetylation of aryl amine using PABA as substrate
50027852	2	ChEMBL_540201 (CHEMBL1029830)	Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes
50027852	3	ChEMBL_540202 (CHEMBL1029831)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes
50027852	4	ChEMBL_540207 (CHEMBL1029836)	Agonist activity at mu opioid receptor in Hartley guinea pig assessed as inhibition of electrically evoked ileum contraction by GPI test
50027852	1	ChEMBL_540205 (CHEMBL1029834)	Agonist activity at delta opioid receptor in mouse assessed as inhibition of electrically evoked vas-deferens contraction by MVD test
50027853	2	ChEMBL_560056 (CHEMBL1022443)	Agonist activity at human CB2 receptor
50027853	4	ChEMBL_560058 (CHEMBL1022445)	Agonist activity at human CB1 receptor
50027853	3	ChEMBL_560036 (CHEMBL1021556)	Agonist activity at human CB2 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTP binding
50027853	6	ChEMBL_560040 (CHEMBL1021560)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation
50027853	5	ChEMBL_560042 (CHEMBL1022429)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as suppression of forskolin-stimulated cAMP accumulation
50027853	1	ChEMBL_560038 (CHEMBL1021558)	Agonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTP binding
50027854	1	ChEMBL_540210 (CHEMBL1029839)	Inhibition of KDR
50027854	3	ChEMBL_540214 (CHEMBL1029843)	Inhibition of Aurora A
50046863	1	ChEMBL_1543845 (CHEMBL3748424)	Inhibition of ovine COX1 by enzyme immuno assay
50027854	2	ChEMBL_540209 (CHEMBL1029838)	Inhibition of Tie2
50027858	1	ChEMBL_545230 (CHEMBL1019824)	Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of TNF-alpha-induced transcriptional activation treated 24 hrs before TNFalpha challenge measured after 20 to 24 hrs by luciferase assay
50027862	1	ChEMBL_540260 (CHEMBL1033162)	Binding affinity to MAOA imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometry
50027862	2	ChEMBL_540261 (CHEMBL1033163)	Binding affinity to MAOB imidazoline binding site in rat brain mitochondrial homogenate assessed as 4-hydroxyquinoline production by spectrophotometry
50027862	3	ChEMBL_540264 (CHEMBL1033166)	Binding affinity to human MAOB imidazoline binding site
50046863	2	ChEMBL_1543846 (CHEMBL3748425)	Inhibition of human recombinant COX2 by enzyme immuno assay
50046864	1	ChEMBL_1543851 (CHEMBL3748430)	Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay
50046864	2	ChEMBL_1543853 (CHEMBL3749743)	Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay
50046864	3	ChEMBL_1543854 (CHEMBL3749744)	Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay
50027877	2	ChEMBL_560809 (CHEMBL1011777)	Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH
50027877	1	ChEMBL_560810 (CHEMBL1011778)	Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by Lineweaver-Burke plot in presence of NADPH
50027878	1	ChEMBL_560815 (CHEMBL1012645)	Antagonist activity at human WNT3 expressed in human U2OS cells assessed as Wnt signaling after 16 to 18 hrs by luciferase reporter gene assay
50027878	2	ChEMBL_560813 (CHEMBL1011781)	Binding affinity to human purified SARP2 by fluorescent polarization assay
50027880	3	ChEMBL_558363 (CHEMBL954165)	Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry
50027880	4	ChEMBL_558362 (CHEMBL954164)	Displacement of [3H]7OH-DPAT from dopamine D3 receptor expressed in Sf9 cells by scintillation spectrometry
50027880	5	ChEMBL_558361 (CHEMBL954163)	Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry
50027880	6	ChEMBL_558360 (CHEMBL954162)	Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry
50027880	2	ChEMBL_558364 (CHEMBL954166)	Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry
50027880	10	ChEMBL_558574 (CHEMBL959903)	Antagonist activity at human dopamine D2L receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50027880	11	ChEMBL_558575 (CHEMBL959904)	Antagonist activity at human dopamine D2S receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50027880	8	ChEMBL_558576 (CHEMBL959905)	Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50027880	9	ChEMBL_558578 (CHEMBL959907)	Intrinsic activity at 5HT2A receptor in Wistar rat aorta
50027880	7	ChEMBL_558570 (CHEMBL959899)	Displacement of [3H]pyrilamine from histamine H1 receptor in guinea pig cerebellum
50027880	1	ChEMBL_558367 (CHEMBL954169)	Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method
50027884	1	ChEMBL_494286 (CHEMBL938618)	Inhibition of Bacillus thermoproteolyticus thermolysin
50027886	2	ChEMBL_540323 (CHEMBL1036681)	Inhibition of GSK3-beta by Z'-LYTE kinase assay
50046864	4	ChEMBL_1543852 (CHEMBL3748431)	Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay
50027891	2	ChEMBL_558791 (CHEMBL1020785)	Antagonist activity at human CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis
50027891	3	ChEMBL_558792 (CHEMBL1020786)	Antagonist activity at mouse CCR4 receptor expressed in mouse B300-19 cells assessed as CCL22-induced chemotaxis
50027892	2	ChEMBL_494292 (CHEMBL938624)	Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting
50027892	1	ChEMBL_494293 (CHEMBL938625)	Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor by liquid scintillation counting
50027895	4	ChEMBL_494295 (CHEMBL938627)	Displacement of [125I]iodocyanopindolol from human adrenergic beta-3 receptor
50027895	3	ChEMBL_494298 (CHEMBL938630)	Agonist activity at adrenergic beta-1 receptor
50046865	1	ChEMBL_1544298 (CHEMBL3751415)	Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay
50046865	2	ChEMBL_1544297 (CHEMBL3751414)	Inhibition of p38alpha phosphorylation in human TNFalpha-stimulated U937 cells treated 1 hr before by ELISA
50046865	3	ChEMBL_1544300 (CHEMBL3751417)	Inhibition of MKK6 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay
50046865	4	ChEMBL_1544299 (CHEMBL3751416)	Binding affinity to MKK3 (unknown origin) by surface plasmon resonance assay
50046866	1	ChEMBL_1544313 (CHEMBL3751430)	Inhibition of JNK1alpha1 (unknown origin)
50046866	2	ChEMBL_1544314 (CHEMBL3751431)	Inhibition of JNK1 (unknown origin)
50027899	3	ChEMBL_540407 (CHEMBL1026539)	Binding affinity to human integrin alphavbeta3 receptor by TRF assay
50027899	2	ChEMBL_540408 (CHEMBL1029872)	Binding affinity to human integrin alphavbeta5 receptor by TRF assay
50027899	1	ChEMBL_540409 (CHEMBL1029026)	Binding affinity to human integrin alpha2beta3 receptor by TRF assay
50027900	2	ChEMBL_540418 (CHEMBL1029035)	Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
50027900	1	ChEMBL_540419 (CHEMBL1029036)	Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor
50027900	3	ChEMBL_540420 (CHEMBL1029037)	Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor
50027900	4	ChEMBL_540421 (CHEMBL1029038)	Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor
50027900	6	ChEMBL_540423 (CHEMBL1029040)	Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
50027900	5	ChEMBL_540424 (CHEMBL1029041)	Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgammaS binding
50027901	1	ChEMBL_494303 (CHEMBL938635)	Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate
50027904	1	ChEMBL_545260 (CHEMBL1020706)	Inhibition of ovine COX2 by enzyme immunoassay
50027904	2	ChEMBL_545261 (CHEMBL1020707)	Inhibition of ovine COX1 by enzyme immunoassay
50027905	2	ChEMBL_540427 (CHEMBL1029044)	Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry
50027905	1	ChEMBL_540428 (CHEMBL1029045)	Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry
50027905	3	ChEMBL_540435 (CHEMBL1029052)	Inhibition of HDAC1 in human 293T cells after 16 hrs by fluorimetry
50027912	2	ChEMBL_558850 (CHEMBL1021636)	Inhibition of human recombinant MIF tautomerase
50027912	1	ChEMBL_558849 (CHEMBL1021635)	Inhibition of human MIF-CD74 binding
50027915	2	ChEMBL_557557 (CHEMBL955000)	Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase assessed as para-nitroanilide release by spectrophotometry
50027915	3	ChEMBL_557556 (CHEMBL954999)	Inhibition of epoxide hydrolase activity of human leukotriene A4 hydrolase assessed as LTB4 level by ELISA
50027915	1	ChEMBL_557558 (CHEMBL955001)	Inhibition of human nonpancreatic secretory phospholipase A2
50027917	1	ChEMBL_540442 (CHEMBL1029059)	Inhibition of human PTP1B
50046867	1	ChEMBL_1544732 (CHEMBL3750816)	Inhibition of human URAT1 expressed in HEK293 cells assessed as [14C]uric acid uptake after 12 mins by scintillation counter
50046868	1	ChEMBL_1545082 (CHEMBL3750142)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr
50046868	2	ChEMBL_1545083 (CHEMBL3750143)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr
50046868	3	ChEMBL_1545084 (CHEMBL3750144)	Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr
50046868	4	ChEMBL_1545081 (CHEMBL3750141)	Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr
50046869	1	ChEMBL_1543868 (CHEMBL3749758)	Time dependent inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate measured every 30 secs by Morrison and Walsh plot analysis
50046869	2	ChEMBL_1543865 (CHEMBL3749755)	Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and Dixon plot analysis
50046869	3	ChEMBL_1543864 (CHEMBL3749754)	Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 to 60 mins by Lineweaver-Burk and Dixon plot analysis
50046869	4	ChEMBL_1543862 (CHEMBL3749752)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition measured after 15 mins by spectrophotometric analysis
50027924	4	ChEMBL_540506 (CHEMBL1030610)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50046869	5	ChEMBL_1543861 (CHEMBL3749751)	Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate preincubated with substrate for 10 mins followed by protein addition measured after 15 mins by spectrophotometric analysis
50027924	5	ChEMBL_540509 (CHEMBL1030613)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50027925	3	ChEMBL_540511 (CHEMBL1030615)	Displacement of [3H]CP-55940 from human cloned CB1 receptor by scintillation spectrometry
50027925	2	ChEMBL_540512 (CHEMBL1030616)	Displacement of [3H]CP-55940 from human cloned CB2 receptor by scintillation spectrometry
50027925	1	ChEMBL_540514 (CHEMBL1031455)	Agonist activity at human cloned CB2 receptor assessed as stimulation of [35S]GTPgammaS binding
50027930	2	ChEMBL_495009 (CHEMBL997739)	Inhibition of MAO-A in rat liver homogenate after 60 mins by residual activity plot
50027930	4	ChEMBL_495007 (CHEMBL997737)	Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot
50027930	3	ChEMBL_495008 (CHEMBL997738)	Inhibition of MAO-B in rat liver homogenate after 60 mins by residual activity plot
50027930	1	ChEMBL_495010 (CHEMBL997740)	Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot
50027934	2	ChEMBL_515050 (CHEMBL1034792)	Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose
50027934	1	ChEMBL_515051 (CHEMBL1034793)	Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in absence of glucose
50027934	4	ChEMBL_515052 (CHEMBL1034794)	Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis
50027934	3	ChEMBL_515053 (CHEMBL1034795)	Inhibition of CYP2C9
50027935	3	ChEMBL_515065 (CHEMBL1034807)	Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay
50027935	2	ChEMBL_515066 (CHEMBL1034808)	Inhibition of liver glycogen phosphorylase A in human HepG2 cells assessed as inhibition of forskolin-induced glucogenolysis
50027935	1	ChEMBL_515067 (CHEMBL1034809)	Inhibition of CYP2C9
50027936	3	ChEMBL_515075 (CHEMBL1034817)	Binding affinity to human CB1 receptor
50027936	4	ChEMBL_515074 (CHEMBL1034816)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50027936	2	ChEMBL_515076 (CHEMBL1034818)	Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding
50027936	1	ChEMBL_515077 (CHEMBL1034819)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells
50027939	1	ChEMBL_515110 (CHEMBL1024632)	Antagonist activity at RXRbeta expressed in african green monkey COS1 cells assessed as inhibition of LGD-1069-induced agonist activity
50027939	2	ChEMBL_515109 (CHEMBL1024631)	Antagonist activity at RXRalpha expressed in african green monkey COS1 cells assessed as inhibition of LGD-1069-induced agonist activity
50027939	3	ChEMBL_515111 (CHEMBL1024633)	Antagonist activity at RXRgamma expressed in african green monkey COS1 cells assessed as inhibition of LGD-1069-induced agonist activity
50046870	1	ChEBML_1543891	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay
50046872	2	ChEMBL_1549391 (CHEMBL3755243)	Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30 mins by agarose gel electrophoresis
50046872	1	ChEBML_1549391	Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30 mins by agarose gel electrophoresis
50046873	1	ChEBML_1549624	Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay
50046874	1	ChEBML_1548733	Inhibition of human BACE1 (1 to 460 residues) using APP-based peptide as substrate incubated for 60 mins by FRET analysis
50046875	1	ChEBML_1549427	Inhibition of TNIK (unknown origin) in presence of ATP (Km)
50046875	2	ChEBML_1549428	Inhibition of MINK (unknown origin) in presence of ATP (Km)
50046875	3	ChEBML_1549435	Inhibition of CYP1A2 (unknown origin)
50046875	8	ChEMBL_1549420 (CHEMBL3755427)	Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA
50046875	10	ChEMBL_1549436 (CHEMBL3755587)	Inhibition of human ERG transfected in HEK293 cells
50046875	5	ChEBML_1549419	Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay
50046876	1	ChEBML_1547165	Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP
50046877	1	ChEMBL_1539211 (CHEMBL3739018)	Antagonist activity at PAR1 (unknown origin) assessed as inhibition of thrombin-induced platelet aggregation
50046877	2	ChEMBL_1539203 (CHEMBL3739010)	Inhibition of DHFR in Lactobacillus casei using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition by spectrofluorometric analysis
50046877	3	ChEMBL_1539201 (CHEMBL3739008)	Inhibition of rat DHFR extracted from liver using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition by spectrofluorometric analysis
50046877	4	ChEMBL_1539065 (CHEMBL3738281)	Antagonist activity at PAR1 in human platelet membranes assessed as inhibition of interaction of PAR1 with [Ala-Phe(p-F)-Arg-Cha-HArg-Tyr-NH2] by Chronolog aggregometry
50046877	5	ChEMBL_1539069 (CHEMBL3738285)	Inhibition of DHFR in mouse L1210 cells using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition by spectrofluorometric analysis
50046877	6	ChEMBL_1539068 (CHEMBL3738284)	Competitive inhibition of Candida albicans DHFR preincubated for 2 mins followed by substrate addition in presence of dihydrofolate
50046877	7	ChEMBL_1539066 (CHEMBL3738282)	Competitive inhibition of human recombinant DHFR preincubated for 2 mins followed by substrate addition in presence of dihydrofolate
50046878	1	ChEMBL_1539535 (CHEMBL3738311)	Displacement of biotinylated ephrin-B1-Fc from EphB3 (unknown origin) preincubated for 1 hr followed by biotinylated-ephrin-B1-Fc addition measured after 4 hrs by ELISA
50046878	2	ChEMBL_1539536 (CHEMBL3738312)	Displacement of biotinylated ephrin-B1-Fc from EphB4 (unknown origin) preincubated for 1 hr followed by biotinylated-ephrin-B1-Fc addition measured after 4 hrs by ELISA
50046842	4	ChEMBL_1540144 (CHEMBL3738353)	Inhibition of human MAO-B expressed in baculovirus infected BT1 cells microsome fraction by fluorescence spectrometry
50046843	13	ChEMBL_1539759 (CHEMBL3736787)	Inhibition of human recombinant GSK-3beta using Ulight-CFFKNIVTPRTPPPSQQGK-amide as substrate after 90 mins by LANCE assay
50027946	4	ChEMBL_518715 (CHEMBL939837)	Inhibition of SGK
50027946	2	ChEMBL_518710 (CHEMBL939832)	Inhibition of human cloned Akt2 expressed in Drosophila S2 cells by HTRF assay
50027946	6	ChEMBL_518709 (CHEMBL939831)	Inhibition of human cloned Akt1 expressed in Drosophila S2 cells by HTRF assay
50027946	5	ChEMBL_518708 (CHEMBL939830)	Inhibition of human ERG expressed in HEK cells by competitive radioligand binding assay
50027947	2	ChEMBL_518727 (CHEMBL957102)	Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter
50027947	3	ChEMBL_518725 (CHEMBL940635)	Inhibition of human CNT1
50027947	4	ChEMBL_518726 (CHEMBL940636)	Inhibition of human CNT2
50027947	1	ChEMBL_518728 (CHEMBL957103)	Binding affinity to human ENT1 assessed as [3H]uridine uptake by flow cytometry
50027949	1	ChEMBL_518734 (CHEMBL957109)	Inhibition of Sprague-Dawley rat liver fatty acid synthase
50027951	1	ChEMBL_518972 (CHEMBL941560)	Displacement of [3H]epibatidine from alpha-4-beta-2 nAchR in rat brain cortex membrane
50027951	2	ChEMBL_518973 (CHEMBL941561)	Displacement of [125I]alpha-Bungarotoxin from alpha-7 nAchR in rat brain cortex membrane
50027952	2	ChEMBL_519004 (CHEMBL942565)	Inhibition of rat acetyl-CoA carboxylase 1
50027952	1	ChEMBL_519005 (CHEMBL942566)	Inhibition of rat acetyl-CoA carboxylase 2
50046844	5	ChEMBL_1537821 (CHEMBL3737792)	Inhibition of bovine serum FAP
50046845	4	ChEMBL_1539845 (CHEMBL3737113)	Antagonist activity at protease-activated receptor 2 (unknown origin)
50046879	1	ChEMBL_1539997 (CHEMBL3737755)	Inhibition of rat liver type 1 5alpha-reductase assessed as transformation of testosterone to dihydrotestosterone
50046879	2	ChEMBL_1539998 (CHEMBL3737756)	Inhibition of human prostate type 2 5alpha-reductase assessed as transformation of testosterone to dihydrotestosterone
50046846	3	ChEMBL_1540331 (CHEMBL3742516)	Inhibition of rat UT-A1 expressed in MDCK-UT-A1-AQP1-YFP cells after 15 mins by fluorescence assay
50027955	17	ChEMBL_519332 (CHEMBL947784)	Inhibition of Src
50027955	15	ChEMBL_519314 (CHEMBL947766)	Inhibition of CYP2C9
50027955	5	ChEMBL_519322 (CHEMBL947774)	Inhibition of PTK2
50027955	4	ChEMBL_519323 (CHEMBL947775)	Inhibition of EphB4
50027955	13	ChEMBL_519324 (CHEMBL947776)	Inhibition of FGFR1
50027955	11	ChEMBL_519325 (CHEMBL947777)	Inhibition of Jak2
50027955	18	ChEMBL_519326 (CHEMBL947778)	Inhibition of Kdr
50027955	16	ChEMBL_519327 (CHEMBL947779)	Inhibition of EGFR
50027955	8	ChEMBL_519328 (CHEMBL947780)	Inhibition of IGFR1
50027955	6	ChEMBL_519329 (CHEMBL947781)	Inhibition of Pak1
50027955	9	ChEMBL_519330 (CHEMBL947782)	Inhibition of Plk
50027955	14	ChEMBL_519331 (CHEMBL947783)	Inhibition of Csk
50046846	2	ChEMBL_1540332 (CHEMBL3742517)	Inhibition of UT-B in rat whole blood after 15 mins by RBC lysis assay
50027955	12	ChEMBL_519334 (CHEMBL947786)	Inhibition of Cdk2
50027955	3	ChEMBL_519335 (CHEMBL947787)	Inhibition of Jnk1
50027955	7	ChEMBL_519319 (CHEMBL947771)	Inhibition of p38alpha
50027955	2	ChEMBL_519320 (CHEMBL947772)	Inhibition of CSF1R
50027955	1	ChEMBL_519321 (CHEMBL947773)	Inhibition of PDGFRb
50027956	1	ChEMBL_495250 (CHEMBL1003656)	Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC
50027956	2	ChEMBL_495251 (CHEMBL1003657)	Inhibition of COX2 in LPS-stimulated human blood
50027957	1	ChEMBL_495288 (CHEMBL1004505)	Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate
50027959	1	ChEMBL_519340 (CHEMBL947792)	Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate
50027962	1	ChEMBL_519359 (CHEMBL948780)	Inhibition of MurI in wild type Helicobacter pylori J99
50027962	2	ChEMBL_519364 (CHEMBL948785)	Inhibition of Enterococcus faecalis MurI
50027963	1	ChEMBL_519379 (CHEMBL948800)	Activation of human mGluR4 expressed in CHO cells coexpressing Gqi5 protein assessed as potentiation of glutamate-induced response
50027967	2	ChEMBL_495457 (CHEMBL1005299)	Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay
50027967	3	ChEMBL_495458 (CHEMBL1005300)	Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay
50027967	1	ChEMBL_495459 (CHEMBL1005301)	Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay
50046848	2	ChEMBL_1542254 (CHEMBL3745476)	Inhibition of Staphylococcus aureus Gyrase B ATPase activity by fluorescence analysis
50046850	2	ChEMBL_1542833 (CHEMBL3742723)	Inhibition of human recombinant PDE10A1 expressed in baculovirus infected insect SF21 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay
50046850	3	ChEMBL_1542842 (CHEMBL3742954)	Inhibition of human PDE9A using [3H]cAMP as substrate after 30 mins by scintillation proximity assay
50046850	8	ChEMBL_1542837 (CHEMBL3742949)	Inhibition of human PDE4A using [3H]cAMP as substrate after 30 mins by scintillation proximity assay
50027972	7	ChEMBL_519643 (CHEMBL946770)	Inhibition of EGFR
50046851	2	ChEMBL_1540612 (CHEMBL3744473)	Inhibition of N-alpha-biotinyl-amyloid beta (1 to 42 residues) (unknown origin) oligomerization incubated for 1 hr by sandwich biotin-avidin assay
50027972	5	ChEMBL_519645 (CHEMBL946772)	Inhibition of ErbB2
50027972	6	ChEMBL_519644 (CHEMBL946771)	Inhibition of ErbB4
50027972	3	ChEMBL_519648 (CHEMBL946775)	Inhibition of p38alpha
50027972	9	ChEMBL_519650 (CHEMBL946777)	Inhibition of LCK
50027972	2	ChEMBL_519649 (CHEMBL946776)	Inhibition of Aurora A
50046852	5	ChEMBL_1541985 (CHEMBL3743871)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 3 hrs by TR-FRET assay
50027973	2	ChEMBL_519674 (CHEMBL950896)	Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting
50027973	1	ChEMBL_519677 (CHEMBL950899)	Displacement of [3H]clonidine from imidazoline I1 receptor in Wistar rat kidney by liquid scintillation counting
50046852	7	ChEMBL_1541804 (CHEMBL3742618)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 40 mins by TR-FRET assay
50046852	6	ChEMBL_1541983 (CHEMBL3743869)	Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 1 hr by TR-FRET assay
50046853	3	ChEMBL_1545546 (CHEMBL3749461)	Competitive inhibition of glycogen synthase kinase-3 (unknown origin) in presence of ATP
50046853	4	ChEMBL_1545544 (CHEMBL3749459)	Competitive inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 30 mins by scintillation counting analysis in presence of [gamma-32P]-ATP
50046854	2	ChEMBL_1544122 (CHEMBL3750741)	Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production incubated for 15 mins post interleukin-1beta challenge for 72 hrs by RP-HPLC analysis
50046880	1	ChEMBL_1544480 (CHEMBL3749949)	Inhibition of BACE1 (unknown origin) by FRET assay
50046880	2	ChEMBL_1544481 (CHEMBL3749950)	Inhibition of BACE1 in human PC12 cells expressing APP Sweden mutant
50046880	3	ChEMBL_1544483 (CHEMBL3749952)	Inhibition of BACE2 (unknown origin)
50046880	4	ChEMBL_1544487 (CHEMBL3750069)	Inhibition of BACE1 (unknown origin)
50046880	5	ChEMBL_1544486 (CHEMBL3749955)	Inhibition of cathepsin D (unknown origin)
50046881	1	ChEMBL_1544506 (CHEMBL3750088)	Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis
50027977	1	ChEMBL_495687 (CHEMBL1006966)	Inhibition of VEGFR2 by HTRF method
50027978	1	ChEMBL_495706 (CHEMBL1006985)	Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane
50046881	2	ChEMBL_1544509 (CHEMBL3750091)	Inhibition of human carbonic anhydrase 2
50027978	2	ChEMBL_495707 (CHEMBL1006986)	Agonist activity at FP receptor in Swiss mouse 3T3 cells assessed as [3H]-IP accumulation by scintillation counting
50027989	1	ChEMBL_559825 (CHEMBL1020696)	Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in phosphate-buffered saline buffer
50027989	2	ChEMBL_559826 (CHEMBL1020697)	Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in presence of 100% calf serum
50027989	3	ChEMBL_559823 (CHEMBL1020694)	Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in Tris-buffered saline buffer
50027989	5	ChEMBL_559827 (CHEMBL1020698)	Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in phosphate-buffered saline buffer
50027989	6	ChEMBL_559828 (CHEMBL1021509)	Binding affinity to PSMA in human PC3 cells assessed as cell surface binding in presence of 100% calf serum
50027989	4	ChEMBL_559824 (CHEMBL1020695)	Binding affinity to PSMA in human LNCaP cells assessed as cell surface binding in Tris-buffered saline buffer
50027993	3	ChEMBL_519717 (CHEMBL938980)	Inhibition of Candida albicans Pkc1 expressed in insect Sf9 cells by scintillation proximity assay
50046881	3	ChEMBL_1544867 (CHEMBL3751468)	Inhibition of human carbonic anhydrase 1
50027993	2	ChEMBL_519718 (CHEMBL938981)	Inhibition of human PKCbeta by scintillation proximity assay
50027993	1	ChEMBL_519719 (CHEMBL938982)	Inhibition of human PKCgamma by scintillation proximity assay
50027994	1	ChEMBL_515145 (CHEMBL1024667)	Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells
50027997	1	ChEMBL_496178 (CHEMBL1001090)	Inhibition of KDR expressed in baculovirus system by ELISA
50027997	2	ChEMBL_496180 (CHEMBL1001092)	Inhibition of ABL expressed in baculovirus system by ELISA
50046881	4	ChEMBL_1544869 (CHEMBL3751470)	Inhibition of MEK1 in human HeLa-MaTu-ADR matched pair cells assessed as reduction in ERK phosphorylation
50046881	5	ChEMBL_1544870 (CHEMBL3751471)	Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation
50046882	1	ChEMBL_1544902 (CHEMBL3751598)	Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domain
50046882	2	ChEMBL_1544905 (CHEMBL3751601)	Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assay
50046882	3	ChEMBL_1544907 (CHEMBL3751603)	Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with RXRalpha assessed as RXRalpha recruitment by two-hybrid assay
50046882	4	ChEMBL_1544909 (CHEMBL3751605)	Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with SRC1 assessed as SRC1 recruitment by two-hybrid assay
50046882	5	ChEMBL_1544910 (CHEMBL3751606)	Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid assay
50046883	1	ChEMBL_1545250 (CHEMBL3751000)	Inhibition of N-terminal GST-fused recombinant JAK2 (831 to 1132 residues) (unknown origin) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate by microfluidic capillary electrophoresis method
50028001	1	ChEMBL_515176 (CHEMBL1028053)	Inhibition of human FGFR1 expressed in insect cells by HTRF method
50028001	4	ChEMBL_515177 (CHEMBL1028054)	Inhibition of VEGFR2
50028001	3	ChEMBL_515178 (CHEMBL1028055)	Inhibition of PDGFRbeta
50028001	2	ChEMBL_515179 (CHEMBL1028056)	Inhibition of EGFR
50028004	1	ChEMBL_559830 (CHEMBL1021511)	Inhibition of [131I]DCIT from PSMA in human LNCAP cells
50046883	2	ChEMBL_1545252 (CHEMBL3751002)	Inhibition of N-terminal GST-fused recombinant JAK3 (781 to 1124 residues) (unknown origin) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate by microfluidic capillary electrophoresis method
50046883	3	ChEMBL_1545254 (CHEMBL3751004)	Inhibition of JAK1 in human NCI-H1975 cells assessed as reduction in STAT3 phosphorylation after 2 hrs
50046883	4	ChEMBL_1545255 (CHEMBL3751005)	Inhibition of GST-INCENP activated N-terminal 6His-tagged human recombinant full length Aurora B (1 to 344 residues) expressed in baculovirus expression system using 5FAM-LRRASLG as substrate by microfluidic capillary electrophoresis method
50046883	5	ChEMBL_1545256 (CHEMBL3751006)	Inhibition of N-terminal 6His-tagged human recombinant full length CDK2 (1 to 304 residues)/Cyclin E1 (1 to 410 residues) expressed in insect cells using FL-Ahx-QSPKKG-CONH2 as substrate by microfluidic capillary electrophoresis method
50046883	6	ChEMBL_1545271 (CHEMBL3751021)	Inhibition of N-terminal 6His-tagged human recombinant Tyk2
50046883	7	ChEMBL_1545251 (CHEMBL3751001)	Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as substrate by microfluidic capillary electrophoresis method
50028007	4	ChEMBL_515227 (CHEMBL991250)	Inhibition of human full length PKCdelta
50028007	3	ChEMBL_515222 (CHEMBL990377)	Inhibition of Lck
50028007	1	ChEMBL_515223 (CHEMBL990378)	Inhibition of Lyn
50028007	8	ChEMBL_515225 (CHEMBL991248)	Inhibition of human full length PKCtheta
50028007	5	ChEMBL_515232 (CHEMBL991256)	Inhibition of Hck
50028007	7	ChEMBL_515233 (CHEMBL991257)	Inhibition of Fyn
50028007	2	ChEMBL_515236 (CHEMBL991260)	Inhibition of MK2
50028007	10	ChEMBL_515231 (CHEMBL991254)	Inhibition of Src
50028007	9	ChEMBL_515230 (CHEMBL991253)	Inhibition of human full length PKCepsilon
50028007	6	ChEMBL_515228 (CHEMBL991251)	Inhibition of human full length PKCbeta
50028010	3	ChEMBL_515266 (CHEMBL991290)	Inhibition of human recombinant histone deacetylase 2
50028010	2	ChEMBL_515267 (CHEMBL991291)	Inhibition of human recombinant histone deacetylase 6
50028010	1	ChEMBL_515268 (CHEMBL991292)	Inhibition of human recombinant histone deacetylase 8
50028011	1	ChEMBL_496186 (CHEMBL1001098)	Inhibition of human recombinant HAT PCAF
50028012	1	ChEMBL_515273 (CHEMBL991297)	Inhibition of His-tagged CSF1R catalytic domain expressed in baculovirus by HTRF assay
50028017	2	ChEMBL_559847 (CHEMBL1021528)	Displacement of [125I]CCK-26-33 from CCK2 receptor expressed in CHO cells
50028017	1	ChEMBL_559849 (CHEMBL1021530)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells
50028017	5	ChEMBL_559851 (CHEMBL1021532)	Displacement of [125I]CCK-26-33 from CCK2R-MOPR coexpressed in CHO cells
50028017	4	ChEMBL_559853 (CHEMBL1021534)	Displacement of [3H]DAMGO from CCK2R-MOPR coexpressed in CHO cells
50028017	3	ChEMBL_559855 (CHEMBL1021536)	Activity at CCK2R-MOPR coexpressed in CHO cells co-transfected with delta-6-Galphaqi4-myr assessed as intracellular calcium release by FLIPR
50028018	2	ChEMBL_559861 (CHEMBL1021542)	Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cells
50028018	1	ChEMBL_559860 (CHEMBL1021541)	Displacement of [125I][Tyr4]BBN form integrin alphaVbeta3 receptor in human PC3 cells
50028019	11	ChEMBL_559889 (CHEMBL1010125)	Inhibition of human recombinant FGFR1
50028019	6	ChEMBL_559890 (CHEMBL1011001)	Inhibition of human recombinant PDGFRbeta
50028019	8	ChEMBL_559888 (CHEMBL1010124)	Inhibition of human recombinant VEGFR2
50028019	2	ChEMBL_559892 (CHEMBL1011003)	Inhibition of VEGFR1
50028019	4	ChEMBL_560344 (CHEMBL1009184)	Inhibition of FGFR3
50028019	3	ChEMBL_560345 (CHEMBL1009185)	Inhibition of c-Kit
50028019	7	ChEMBL_560346 (CHEMBL1009186)	Inhibition of CSF1R
50028019	5	ChEMBL_560347 (CHEMBL1009187)	Inhibition of FLT3
50028022	1	ChEMBL_515326 (CHEMBL1035661)	Inhibition of human recombinant HDAC1
50028022	2	ChEMBL_515333 (CHEMBL1036510)	Inhibition of HDAC2
50028022	3	ChEMBL_515334 (CHEMBL1036511)	Inhibition of HDAC3
50028022	7	ChEMBL_515338 (CHEMBL1036515)	Inhibition of HDAC8
50028022	6	ChEMBL_515337 (CHEMBL1036514)	Inhibition of HDAC7
50028022	5	ChEMBL_515336 (CHEMBL1036513)	Inhibition of HDAC6
50028023	1	ChEMBL_515362 (CHEMBL1025517)	Inhibition of CSF1R
50046884	1	ChEMBL_1545385 (CHEMBL3751610)	Inhibition of mouse DKK1 assessed as inhibition of DKK1-alkaline phophatase binding to LRP5 transfected in HEK293 cells
50046885	1	ChEMBL_1545475 (CHEMBL3748719)	Inhibition of bovine brain tubulin polymerization by spectrophotometry
50046886	1	ChEMBL_1545479 (CHEMBL3748723)	Displacement of [3H]1alpha,25-(OH)2D3 from full-length recombinant rat VDR by scintillation counter
50046887	1	ChEMBL_1545606 (CHEMBL3748769)	Inhibition of FLT3 autophosphorylation at Tyr589/591 residue in human MOLM14 cells for 4 hrs by immunoblot analysis
50046887	2	ChEMBL_1545607 (CHEMBL3748770)	Inhibition of FLT3 autophosphorylation at Tyr589/591 residue in human MOLM13 cells for 4 hrs by immunoblot analysis
50046887	3	ChEMBL_1545608 (CHEMBL3748771)	Inhibition of FLT3 mediated Stat5 phosphorylation in human MV4-11 cells for 4 hrs by immunoblot analysis
50046887	4	ChEMBL_1545609 (CHEMBL3748772)	Inhibition of FLT3 mediated Stat5 phosphorylation in human MOLM14 cells for 4 hrs by immunoblot analysis
50046887	5	ChEMBL_1545610 (CHEMBL3748773)	Inhibition of FLT3 mediated Stat5 phosphorylation in human MOLM13 cells for 4 hrs by immunoblot analysis
50046887	6	ChEMBL_1545605 (CHEMBL3748768)	Inhibition of FLT3 autophosphorylation at Tyr589/591 residue in human MV4-11 cells for 4 hrs by immunoblot analysis
50046887	7	ChEMBL_1545511 (CHEMBL3749080)	Inhibition of c-KIT (unknown origin) by ADP-Glo assay
50046887	8	ChEMBL_1545510 (CHEMBL3749079)	Inhibition of BTK (unknown origin) by ADP-Glo assay
50046887	9	ChEMBL_1545509 (CHEMBL3749078)	Inhibition of wild-type FLT3 (unknown origin) by ADP-Glo assay
50046888	1	ChEMBL_1545717 (CHEMBL3748814)	Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay
50046889	1	ChEMBL_1546048 (CHEMBL3748891)	Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis
50046889	2	ChEMBL_1546047 (CHEMBL3748890)	Displacement of 2-((1E,3E,5E)-5-(1-Ethyl-3,3-dimethyl-5-sulfoindolin-2-ylidene)-penta-1,3-dien-1-yl)-1-(6-((6-((6S,7R,7aR,12bS)-9-hydroxy-7-methoxy-3-methyl-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethano-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamido)hexyl)-amino)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate,2,2,2-Trifluoroacetate Salt from human MOR expressed in HEK293 cells by Cheng-Prusoff analysis
50046889	3	ChEMBL_1546063 (CHEMBL3748906)	Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liquid scintillation counting analysis
50046890	1	ChEMBL_1546075 (CHEMBL3748918)	Inhibition of human recombinant SIRT1 deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC as substrate incubated for 45 mins by fluorescence analysis
50046891	1	ChEMBL_1546222 (CHEMBL3749687)	Inhibition of 5-LOX in Sprague-Dawley rat leukocytes assessed as A23187 stimulated LTB4 production pretreated for 30 mins followed by addition of A23187 for 30 mins by EIA
50046870	2	ChEMBL_1543892 (CHEMBL3749874)	Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay
50046870	6	ChEMBL_1543891 (CHEMBL3749873)	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux after 30 mins by FLIPR assay
50028031	1	ChEMBL_515427 (CHEMBL1028886)	Inhibition of human CYP2D6 expressed in baculovirus-infected insect cell system
50028031	2	ChEMBL_515428 (CHEMBL1028887)	Inhibition of human CYP2D6 by Lineweaver-Burke plot
50028032	2	ChEMBL_515430 (CHEMBL1028889)	Inhibition of human recombinant PARP1 by Trevigen colorimetric assay
50028032	1	ChEMBL_515431 (CHEMBL1028890)	Inhibition of calf thymus PARP1
50028035	1	ChEMBL_515468 (CHEMBL992195)	Inhibition of humanized rabbit cathepsin K
50028041	7	ChEMBL_515526 (CHEMBL1036547)	Binding affinity to human histamine H3 receptor
50028041	5	ChEMBL_515531 (CHEMBL1036552)	Inhibition of CYP1A2
50028041	4	ChEMBL_515532 (CHEMBL1036553)	Inhibition of CYP2C9
50028041	3	ChEMBL_515533 (CHEMBL1036554)	Inhibition of CYP2C19
50028041	2	ChEMBL_515534 (CHEMBL1036555)	Inhibition of CYP2D6
50028041	1	ChEMBL_515535 (CHEMBL1036556)	Inhibition of CYP3A4
50028041	6	ChEMBL_515524 (CHEMBL1036545)	Binding affinity to rat histamine H3 receptor
50028041	8	ChEMBL_515525 (CHEMBL1036546)	Binding affinity to guinea pig histamine H3 receptor
50028043	3	ChEMBL_515548 (CHEMBL1036569)	Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8
50028043	2	ChEMBL_515551 (CHEMBL1036572)	Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8
50028043	1	ChEMBL_515552 (CHEMBL1036573)	Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8
50028044	1	ChEMBL_515866 (CHEMBL993920)	Binding affinity to 5HT3 receptor
50028044	3	ChEMBL_515636 (CHEMBL1029728)	Binding affinity to 5HT4 receptor
50028044	2	ChEMBL_515574 (CHEMBL1026375)	Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea pig brain homogenates
50028046	1	ChEMBL_515649 (CHEMBL1029741)	Displacement of [3H]PK11195 from rat PBR receptor
50028047	1	ChEMBL_515682 (CHEMBL993070)	Inhibition of human carbonic anhydrase 1 measured by CO2 hydration reaction assay
50028047	2	ChEMBL_515683 (CHEMBL993071)	Inhibition of human carbonic anhydrase 2 measured by CO2 hydration reaction assay
50028047	3	ChEMBL_515684 (CHEMBL993072)	Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay
50028049	1	ChEMBL_515691 (CHEMBL993079)	Displacement of [3H]dofetilide from human ERG channel
50028054	6	ChEMBL_515713 (CHEMBL993101)	Displacement of [3H]PGE2 from human EP3 receptor
50028054	1	ChEMBL_515724 (CHEMBL1023726)	Binding affinity to human EP1 receptor by radioligand binding assay
50028054	2	ChEMBL_515726 (CHEMBL1023728)	Binding affinity to human EP2 receptor by radioligand binding assay
50028054	3	ChEMBL_515728 (CHEMBL1023730)	Binding affinity to human EP4 receptor by radioligand binding assay
50028054	4	ChEMBL_515730 (CHEMBL1023732)	Binding affinity to human FP receptor by radioligand binding assay
50028054	5	ChEMBL_515731 (CHEMBL1023733)	Antagonist activity at human EP3 receptor expressed in CHO-K1 cells assessed as reversal of inhibition of forskolin-induced cAMP production
50028055	1	ChEMBL_515733 (CHEMBL1023735)	Inhibition of pig ALR1
50028061	1	ChEMBL_540570 (CHEMBL1034022)	Inhibition of VEGFR2 assessed as blockade of pGAT-biotin phosphorylation in presence of 2 uM ATP by HTRF assay
50028061	3	ChEMBL_540571 (CHEMBL1034023)	Inhibition of VEGFR1 assessed as blockade of pGAT-biotin phosphorylation in presence of 2 uM ATP by HTRF assay
50028061	8	ChEMBL_540574 (CHEMBL1034026)	Inhibition of VEGFR2 expressed in HEK293 cells assessed as inhibition of receptor phosphorylation by ELISA
50028061	5	ChEMBL_540595 (CHEMBL1036678)	Inhibition of VEGFR2 at IC50 concentration by ATP based competition assay
50028061	4	ChEMBL_540596 (CHEMBL1023845)	Inhibition of VEGFR2 at IC90 concentration by ATP based competition assay
50028061	2	ChEMBL_540572 (CHEMBL1034024)	Inhibition of VEGFR2 assessed as blockade of pGAT-biotin phosphorylation in presence of 8 uM ATP by HTRF assay
50028061	7	ChEMBL_540573 (CHEMBL1034025)	Inhibition of VEGFR1 assessed as blockade of pGAT-biotin phosphorylation in presence of 8 uM ATP by HTRF assay
50028061	6	ChEMBL_540575 (CHEMBL1034027)	Inhibition of VEGF-induced VEGFR2 phosphorylation expressed in CHO cells in presence of 8 uM ATP by ELISA
50046870	4	ChEMBL_1543915 (CHEMBL3749897)	Inhibition of CYP2C19 (unknown origin)
50028067	1	ChEMBL_515843 (CHEMBL1030542)	Inhibition of Escherichia coli K12 MG1655 ribokinase by luminescent assay
50028068	3	ChEMBL_515844 (CHEMBL1030543)	Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay
50028068	1	ChEMBL_515845 (CHEMBL1030544)	Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay
50028068	2	ChEMBL_515846 (CHEMBL1030545)	Inhibition of human cathepsin L by fluorescence assay
50046870	5	ChEMBL_1543914 (CHEMBL3749896)	Displacement of dofetilide from human ERG channel
50046870	3	ChEMBL_1543909 (CHEMBL3749891)	Displacement of [3H]JNJ-54232334 from P2X7 receptor in rat hippocampal membranes
50046892	1	ChEMBL_1544357 (CHEMBL3748433)	Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate reader analysis
50046893	1	ChEMBL_1544367 (CHEMBL3748443)	Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 mins by plate reader analysis
50046893	2	ChEMBL_1544368 (CHEMBL3748444)	Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 mins by plate reader analysis
50046894	1	ChEMBL_1545140 (CHEMBL3750494)	Inhibition of xanthine oxidase (unknown origin) using immobilized capillary enzyme reactor by on-flow bidimensional liquid chromatography
50046894	2	ChEMBL_1545141 (CHEMBL3750495)	Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis
50046895	1	ChEMBL_1545148 (CHEMBL3750502)	Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay
50046896	1	ChEMBL_1546118 (CHEMBL3749636)	Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis
50046896	2	ChEMBL_1546120 (CHEMBL3749638)	Inhibition of recombinant human LOX5 using arachidonic acid as substrate preincubated for 5 mins prior to substrate addition measured for 4 mins by spectrophotometry analysis
50046897	1	ChEMBL_1543918 (CHEMBL3749900)	Inhibition of human ULK3 using MBP substrate
50046897	2	ChEMBL_1543919 (CHEMBL3749901)	Inhibition of human VRK1 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	3	ChEMBL_1543920 (CHEMBL3749902)	Inhibition of human VRK2 using casein as substrate
50046897	4	ChEMBL_1543921 (CHEMBL3749903)	Inhibition of human WEE1 using MBP substrate
50046897	5	ChEMBL_1543922 (CHEMBL3749904)	Inhibition of human WNK1 using MBP substrate
50046897	6	ChEMBL_1543923 (CHEMBL3749905)	Inhibition of human WNK2 using MBP substrate
50046897	7	ChEMBL_1543924 (CHEMBL3749906)	Inhibition of human WNK3 using MBP substrate
50046897	8	ChEMBL_1543925 (CHEMBL3749907)	Inhibition of human YES using poly[Glu:Tyr] (4:1) as substrate
50046897	9	ChEMBL_1543926 (CHEMBL3749908)	Inhibition of human ZAK using MBP substrate
50046897	10	ChEMBL_1543927 (CHEMBL3749909)	Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate
50046897	11	ChEMBL_1543928 (CHEMBL3749910)	Inhibition of human ZIPK using [KKLNRTLSFAEPG] as substrate
50046897	12	ChEMBL_1543929 (CHEMBL3750037)	Inhibition of human recombinant PLK2 using recombinant dephosphorylated bovine alpha- casein as substrate after 30 mins by scintillation counting analysis in presence of gamma-32P-ATP
50046897	13	ChEMBL_1543930 (CHEMBL3750038)	Inhibition of human recombinant PLK1 using recombinant dephosphorylated bovine alpha- casein/synuclein as substrate after 30 mins by scintillation counting analysis in presence of gamma-32P-ATP
50046897	14	ChEMBL_1543931 (CHEMBL3750039)	Inhibition of human recombinant PLK3 using recombinant dephosphorylated bovine alpha- casein/synuclein as substrate after 30 mins by scintillation counting analysis in presence of gamma-32P-ATP
50046897	15	ChEMBL_1543932 (CHEMBL3750040)	Inhibition of human recombinant PLK4 using recombinant dephosphorylated bovine alpha- casein/synuclein as substrate after 30 mins by scintillation counting analysis in presence of gamma-32P-ATP
50046897	16	ChEMBL_1546306 (CHEMBL3749728)	Inhibition of human ABL1 using [EAIYAAPFAKKK] as substrate
50046897	17	ChEMBL_1546307 (CHEMBL3749729)	Inhibition of human ABL2 using [EAIYAAPFAKKK] as substrate
50046897	18	ChEMBL_1546308 (CHEMBL3749730)	Inhibition of human ACK1 using [EAIYAAPFAKKK] as substrate
50046897	19	ChEMBL_1546309 (CHEMBL3749731)	Inhibition of human AKT1 using [KGSGSGRPRTSSFAEG] as substrate
50046897	20	ChEMBL_1546310 (CHEMBL3749732)	Inhibition of human AKT2 using [KGSGSGRPRTSSFAEG] as substrate
50046897	21	ChEMBL_1546311 (CHEMBL3749733)	Inhibition of human AKT3 using [KGSGSGRPRTSSFAEG] as substrate
50046897	22	ChEMBL_1546312 (CHEMBL3749734)	Inhibition of human ALK using [KGSGSGRPRTSSFAEG] as substrate
50046897	23	ChEMBL_1546313 (CHEMBL3749735)	Inhibition of human ALK1 using poly[Glu:Tyr] (4:1) as substrate
50046897	24	ChEMBL_1546429 (CHEMBL3748984)	Inhibition of human ALK3 using casein as substrate
50046897	25	ChEMBL_1546430 (CHEMBL3748985)	Inhibition of human ALK5 using casein as substrate
50046897	26	ChEMBL_1546431 (CHEMBL3748986)	Inhibition of human ARAF using MEK1 as substrate
50046897	27	ChEMBL_1546432 (CHEMBL3748623)	Inhibition of human ARK5 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	28	ChEMBL_1546433 (CHEMBL3748624)	Inhibition of human ASK1 using MBP as substrate
50046897	29	ChEMBL_1546472 (CHEMBL3748663)	Inhibition of human CDK5/p25 using histone H1 as substrate
50046897	30	ChEMBL_1546473 (CHEMBL3748664)	Inhibition of human CDK5/p35 using histone H1 as substrate
50046897	31	ChEMBL_1546474 (CHEMBL3748665)	Inhibition of human CDK6/cyclin D1 using RB-CTF as substrate
50046897	32	ChEMBL_1546475 (CHEMBL3748666)	Inhibition of human CDK6/cyclin D3 using RP protein as substrate
50046897	33	ChEMBL_1546476 (CHEMBL3748667)	Inhibition of human CDK7/cyclin H using histone H1 as substrate
50046897	34	ChEMBL_1546477 (CHEMBL3748668)	Inhibition of human CDK9/cyclin K using [KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC] as substrate
50046897	35	ChEMBL_1546479 (CHEMBL3748670)	Inhibition of human CHK1 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	36	ChEMBL_1546480 (CHEMBL3748671)	Inhibition of human CHK2 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	37	ChEMBL_1546481 (CHEMBL3748672)	Inhibition of human CK1alpha1 using [KRRRAL[pS]VASLPGL] as substrate
50046897	38	ChEMBL_1546482 (CHEMBL3748673)	Inhibition of human CK1delta using [KRRRAL[pS]VASLPGL] as substrate
50046897	39	ChEMBL_1546483 (CHEMBL3748674)	Inhibition of human CK1epsilon using [KRRRAL[pS]VASLPGL] as substrate
50046897	40	ChEMBL_1546484 (CHEMBL3748987)	Inhibition of human CK1gamma1 using [KRRRAL[pS]VASLPGL] as substrate
50046897	41	ChEMBL_1546485 (CHEMBL3748988)	Inhibition of human CK1gamma2 using [KRRRAL[pS]VASLPGL] as substrate
50046897	42	ChEMBL_1546486 (CHEMBL3748989)	Inhibition of human CK1gamma3 using [KRRRAL[pS]VASLPGL] as substrate
50046897	43	ChEMBL_1546487 (CHEMBL3748990)	Inhibition of human CK2alpha using as [RRRDDDSDDD] substrate
50046897	44	ChEMBL_1546488 (CHEMBL3748991)	Inhibition of human CK2alpha2 using as [RRRDDDSDDD] substrate
50046897	45	ChEMBL_1546489 (CHEMBL3748992)	Inhibition of human CLK1 using MBP as substrate
50028070	1	ChEMBL_515852 (CHEMBL993111)	Inhibition of human recombinant PARP1
50046897	46	ChEMBL_1546490 (CHEMBL3748993)	Inhibition of human CLK2 using MBP as substrate
50046897	47	ChEMBL_1546491 (CHEMBL3748994)	Inhibition of human CLK3 using MBP as substrate
50046897	48	ChEMBL_1546492 (CHEMBL3748995)	Inhibition of human CLK4 using MBP as substrate
50046897	49	ChEMBL_1546493 (CHEMBL3748996)	Inhibition of human COT1 using MEK1 as substrate
50046897	50	ChEMBL_1546494 (CHEMBL3748997)	Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate
50046897	51	ChEMBL_1546495 (CHEMBL3748998)	Inhibition of human CTK using poly[Glu:Tyr] (4:1) as substrate
50046897	52	ChEMBL_1546496 (CHEMBL3748999)	Inhibition of human DAPK1 using [KKLNRTLSFAEPG] as substrate
50046897	53	ChEMBL_1546497 (CHEMBL3749000)	Inhibition of human DAPK2 using [KKLNRTLSFAEPG] as substrate
50046897	54	ChEMBL_1546498 (CHEMBL3749001)	Inhibition of human DCAMKL1 using [KKLNRTLSFAEPG] as substrate
50046897	55	ChEMBL_1546499 (CHEMBL3749002)	Inhibition of human DCAMKL2 using [KKALRRQETVDAL] as substrate
50046897	56	ChEMBL_1546500 (CHEMBL3749003)	Inhibition of human DDR1 using [KKSRGDYMTMQIG] as substrate
50046897	57	ChEMBL_1546501 (CHEMBL3749004)	Inhibition of human DDR2 using [KKSRGDYMTMQIG] as substrate
50046897	58	ChEMBL_1546502 (CHEMBL3749005)	Inhibition of human DLK using MBP as substrate
50046897	59	ChEMBL_1546503 (CHEMBL3749006)	Inhibition of human DMPK using [KKSRGDYMTMQIG] as substrate
50046897	60	ChEMBL_1546504 (CHEMBL3749007)	Inhibition of human DMPK2 using [KKRPQRRYSNVF] as substrate
50046897	61	ChEMBL_1546505 (CHEMBL3749008)	Inhibition of human DRAK1 using [KKLNRTLSFAEPG] as substrate
50046897	62	ChEMBL_1546634 (CHEMBL3749428)	Inhibition of human DYRK1 using [RRRFRPASPLRGPPK] as substrate
50046897	63	ChEMBL_1546635 (CHEMBL3749429)	Inhibition of human DYRK1B using [RRRFRPASPLRGPPK] as substrate
50046897	64	ChEMBL_1546636 (CHEMBL3749430)	Inhibition of human DYRK2 using [RRRFRPASPLRGPPK] as substrate
50046897	65	ChEMBL_1546637 (CHEMBL3749431)	Inhibition of human DYRK3 using [RRRFRPASPLRGPPK] as substrate
50046897	66	ChEMBL_1546638 (CHEMBL3749432)	Inhibition of human DYRK4 using [RRRFRPASPLRGPPK] as substrate
50046897	67	ChEMBL_1546639 (CHEMBL3749433)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate
50046897	68	ChEMBL_1546640 (CHEMBL3749434)	Inhibition of human EPHA1 using poly[Glu:Tyr] (4:1) as substrate
50046897	69	ChEMBL_1546641 (CHEMBL3749435)	Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate
50046897	70	ChEMBL_1546642 (CHEMBL3749436)	Inhibition of human EPHA3 using poly[Glu:Tyr] (4:1) as substrate
50046897	71	ChEMBL_1546643 (CHEMBL3749437)	Inhibition of human EPHA4 using poly[Glu:Tyr] (4:1) as substrate
50046897	72	ChEMBL_1546644 (CHEMBL3749438)	Inhibition of human EPHA5 using poly[Glu:Tyr] (4:1) as substrate
50046897	73	ChEMBL_1546645 (CHEMBL3749439)	Inhibition of human EPHA6 using poly[Glu:Tyr] (4:1) as substrate
50046897	74	ChEMBL_1546646 (CHEMBL3749440)	Inhibition of human EPHA7 using poly[Glu:Tyr] (4:1) as substrate
50046897	75	ChEMBL_1546647 (CHEMBL3749441)	Inhibition of human EPHA8 using poly[Glu:Tyr] (4:1) as substrate
50046897	76	ChEMBL_1546648 (CHEMBL3749442)	Inhibition of human EPHB1 using poly[Glu:Tyr] (4:1) as substrate
50046897	77	ChEMBL_1546649 (CHEMBL3748174)	Inhibition of human EPHB2 using poly[Glu:Tyr] (4:1) as substrate
50046897	78	ChEMBL_1546650 (CHEMBL3748175)	Inhibition of human EPHB3 using poly[Glu:Tyr] (4:1) as substrate
50046897	79	ChEMBL_1546651 (CHEMBL3748176)	Inhibition of human EPHB4 using poly[Glu:Tyr] (4:1) as substrate
50046897	80	ChEMBL_1546652 (CHEMBL3748177)	Inhibition of human ERBB2 using poly[Glu:Tyr] (4:1) as substrate
50046897	81	ChEMBL_1546653 (CHEMBL3748178)	Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate
50046897	82	ChEMBL_1546654 (CHEMBL3748179)	Inhibition of human ERK1 using MBP as substrate
50046897	83	ChEMBL_1546655 (CHEMBL3748180)	Inhibition of human ERK2 using MBP as substrate
50046897	84	ChEMBL_1546656 (CHEMBL3748181)	Inhibition of human ERK5 using MBP as substrate
50046897	85	ChEMBL_1546657 (CHEMBL3748182)	Inhibition of human ERK7 using MBP as substrate
50046897	86	ChEMBL_1546658 (CHEMBL3748183)	Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate
50046897	87	ChEMBL_1546659 (CHEMBL3748184)	Inhibition of human FER using poly[Glu:Tyr] (4:1) as substrate
50046897	88	ChEMBL_1546660 (CHEMBL3748185)	Inhibition of human FES using poly[Glu:Tyr] (4:1) as substrate
50046897	89	ChEMBL_1546661 (CHEMBL3748186)	Inhibition of human FGFR1 using [KKKSPGEYVNIEFG] as substrate
50046897	90	ChEMBL_1546662 (CHEMBL3748187)	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate
50046897	91	ChEMBL_1546663 (CHEMBL3748188)	Inhibition of human FGFR3 using poly[Glu:Tyr] (4:1) as substrate
50046897	92	ChEMBL_1546664 (CHEMBL3748189)	Inhibition of human FGFR4 using poly[Glu:Tyr] (4:1) as substrate
50046897	93	ChEMBL_1546665 (CHEMBL3748190)	Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate
50046897	94	ChEMBL_1546666 (CHEMBL3748191)	Inhibition of human FLT1 using poly[Glu:Tyr] (4:1) as substrate
50046897	95	ChEMBL_1546667 (CHEMBL3748192)	Inhibition of human FLT3 using [EAIYAAPFAKKK] as substrate
50046897	96	ChEMBL_1546668 (CHEMBL3748193)	Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate
50046897	97	ChEMBL_1546669 (CHEMBL3748194)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate
50046897	98	ChEMBL_1546670 (CHEMBL3748195)	Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate
50046897	99	ChEMBL_1546671 (CHEMBL3748196)	Inhibition of human FYN using poly[Glu:Tyr] (4:1) as substrate
50046897	100	ChEMBL_1546672 (CHEMBL3748197)	Inhibition of human GCK using MBP as substrate
50046897	101	ChEMBL_1546673 (CHEMBL3748198)	Inhibition of human GLK using MBP as substrate
50046897	102	ChEMBL_1546674 (CHEMBL3748199)	Inhibition of human GRK1 using casein as substrate
50046897	103	ChEMBL_1546675 (CHEMBL3748200)	Inhibition of human GRK2 using casein as substrate
50046897	104	ChEMBL_1546676 (CHEMBL3748201)	Inhibition of human GRK3 using casein as substrate
50046897	105	ChEMBL_1546677 (CHEMBL3748202)	Inhibition of human GRK4 using casein as substrate
50046897	106	ChEMBL_1546678 (CHEMBL3748203)	Inhibition of human GRK5 using casein as substrate
50046897	107	ChEMBL_1546679 (CHEMBL3748204)	Inhibition of human GRK6 using casein as substrate
50046897	108	ChEMBL_1546680 (CHEMBL3748205)	Inhibition of human GRK7 using casein as substrate
50046897	109	ChEMBL_1546681 (CHEMBL3748206)	Inhibition of human GSK3alpha using [YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE] as substrate
50046897	110	ChEMBL_1546682 (CHEMBL3748207)	Inhibition of human Haspin using histone H3 as substrate
50046897	111	ChEMBL_1546683 (CHEMBL3748208)	Inhibition of human HCK using [KVEKIGEGTYGVVYK] as substrate
50046897	112	ChEMBL_1546684 (CHEMBL3748209)	Inhibition of human HGK using MBP as substrate
50046897	113	ChEMBL_1546685 (CHEMBL3748210)	Inhibition of human HIPK1 using MBP as substrate
50046897	114	ChEMBL_1546686 (CHEMBL3748211)	Inhibition of human HIPK2 using MBP as substrate
50046897	115	ChEMBL_1546687 (CHEMBL3748212)	Inhibition of human HIPK3 using MBP as substrate
50046897	116	ChEMBL_1546688 (CHEMBL3748213)	Inhibition of human HIPK4 using MBP as substrate
50046897	117	ChEMBL_1546689 (CHEMBL3748214)	Inhibition of human HPK1 using MBP as substrate
50046897	118	ChEMBL_1546690 (CHEMBL3748215)	Inhibition of human IGF1R using [KKKSPGEYVNIEFG] as substrate
50046897	119	ChEMBL_1546691 (CHEMBL3748216)	Inhibition of human IKKalpha using [KKKKERLLDDRHDSGLDSMKDEE] as substrate
50046897	120	ChEMBL_1546692 (CHEMBL3748217)	Inhibition of human IKKbeta using [KKKKERLLDDRHDSGLDSMKDEE] as substrate
50046897	121	ChEMBL_1546693 (CHEMBL3748218)	Inhibition of human IKKepsilon using casein as substrate
50046897	122	ChEMBL_1546694 (CHEMBL3748219)	Inhibition of human IR using poly[Glu:Tyr] (4:1) as substrate
50046897	123	ChEMBL_1546695 (CHEMBL3748220)	Inhibition of human IRAK1 using MBP as substrate
50046897	124	ChEMBL_1546696 (CHEMBL3748221)	Inhibition of human IRAK4 using MBP as substrate
50046897	125	ChEMBL_1546697 (CHEMBL3748222)	Inhibition of human IRR using MBP as substrate
50046897	126	ChEMBL_1546698 (CHEMBL3748223)	Inhibition of human ITK using MBP as substrate
50046897	127	ChEMBL_1546699 (CHEMBL3748224)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate
50028073	3	ChEMBL_515883 (CHEMBL993937)	Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay
50028073	2	ChEMBL_515884 (CHEMBL993938)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay
50028073	1	ChEMBL_515885 (CHEMBL993939)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay
50028074	2	ChEMBL_515893 (CHEMBL993947)	Agonist activity at full-length human estrogen receptor beta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50028074	3	ChEMBL_515894 (CHEMBL993948)	Agonist activity at full-length human estrogen receptor alpha expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50028074	1	ChEMBL_515889 (CHEMBL993943)	Displacement of [3H]estradiol from full-length human estrogen receptor beta by radiometric assay relative to estradiol
50028077	2	ChEMBL_515982 (CHEMBL981471)	Displacement of [3H]WIN-55212-2 from CB1 receptor in rat cerebellar membrane by liquid scintillation counting
50028077	1	ChEMBL_515983 (CHEMBL981472)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting
50028077	3	ChEMBL_515984 (CHEMBL981473)	Antagonist activity at CB1 receptor in rat cerebellar membrane assessed as inhibition of WIN-55212-2-induced [35S]GTPgammaS binding by liquid scintillation counting
50028079	6	ChEMBL_516017 (CHEMBL981506)	Inhibition of human factor 10a by Lineweaver-Burke plot
50028079	5	ChEMBL_516018 (CHEMBL981507)	Inhibition of rat factor 10a by Lineweaver-Burke plot
50028079	7	ChEMBL_516020 (CHEMBL981509)	Inhibition of rabbit factor 10a by Lineweaver-Burke plot
50028079	8	ChEMBL_516021 (CHEMBL981510)	Inhibition of human thrombin by Lineweaver-Burke plot
50028079	1	ChEMBL_516024 (CHEMBL981513)	Inhibition of human plasmin by Lineweaver-Burke plot
50028079	2	ChEMBL_516025 (CHEMBL981514)	Inhibition of human recombinant tissue plasminogen activator by Lineweaver-Burke plot
50028079	4	ChEMBL_516026 (CHEMBL981515)	Inhibition of human recombinant factor 7a/soluble tissue factor by Lineweaver-Burke plot
50028079	3	ChEMBL_516012 (CHEMBL981501)	Inhibition of human factor 10a
50046897	128	ChEMBL_1546700 (CHEMBL3748225)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate
50046897	129	ChEMBL_1546701 (CHEMBL3748226)	Inhibition of human JAK3 using [GEEEEYFELVKKKK] as substrate
50046897	130	ChEMBL_1546702 (CHEMBL3748227)	Inhibition of human JNK1 using ATF2 as substrate
50046897	131	ChEMBL_1546703 (CHEMBL3748228)	Inhibition of human JNK2 using ATF2 as substrate
50028085	4	ChEMBL_516084 (CHEMBL982454)	Antagonist activity at CCR2 in human monocytes assessed as inhibition of MCP1-induced calcium influx by FLIPR
50028085	1	ChEMBL_516086 (CHEMBL982456)	Inhibition of CCR3 at 10 uM
50028085	2	ChEMBL_516083 (CHEMBL982453)	Displacement of [125I]MCP1 from CCR2 in human PBMCs
50028085	3	ChEMBL_516085 (CHEMBL982455)	Antagonist activity at CCR2 in human PBMCs assessed as inhibition of MCP1-induced chemotaxis
50028086	1	ChEMBL_516105 (CHEMBL983249)	Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting
50046897	132	ChEMBL_1546704 (CHEMBL3748229)	Inhibition of human JNK3 using ATF2 as substrate
50046897	133	ChEMBL_1546705 (CHEMBL3748230)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate
50046897	134	ChEMBL_1546706 (CHEMBL3748231)	Inhibition of human KHS using MBP as substrate
50046897	135	ChEMBL_1546707 (CHEMBL3748232)	Inhibition of human LATS1 using [KKRNRRLSVA] as substrate
50046897	136	ChEMBL_1546708 (CHEMBL3748233)	Inhibition of human LATS2 using [KKRNRRLSVA] as substrate
50046897	137	ChEMBL_1546709 (CHEMBL3748234)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate
50046897	138	ChEMBL_1546710 (CHEMBL3748235)	Inhibition of human LCK2 using MBP as substrate
50028094	1	ChEMBL_516219 (CHEMBL985076)	Binding affinity to human TGFBR1
50028094	3	ChEMBL_516221 (CHEMBL985078)	Inhibition of p38alpha
50028094	2	ChEMBL_516220 (CHEMBL985077)	Inhibition of TGFBR1 transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay
50046897	139	ChEMBL_1546711 (CHEMBL3748236)	Inhibition of human LIMK1 using cofilin as substrate
50028096	2	ChEMBL_516241 (CHEMBL985098)	Inhibition of COX2 in LPS-stimulated human whole blood assessed as TXB2 production by enzyme immunoassay
50046897	140	ChEMBL_1546712 (CHEMBL3748237)	Inhibition of human LIMK2 using cofilin as substrate
50046897	141	ChEMBL_1546713 (CHEMBL3748238)	Inhibition of human LKB1 using [LSNLYHQGKFLQTFCGSPLYRRR] as substrate
50046897	142	ChEMBL_1546875 (CHEMBL3747978)	Inhibition of human LOK using [RLGRDKYKTLRQIRQ] as substrate
50046897	143	ChEMBL_1546876 (CHEMBL3747979)	Inhibition of human LRRK2 using [RLGRDKYKTLRQIRQ] as substrate
50046897	144	ChEMBL_1546877 (CHEMBL3747980)	Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate
50046897	145	ChEMBL_1546878 (CHEMBL3747981)	Inhibition of human LYN B using poly[Glu:Tyr] (4:1) as substrate
50046897	146	ChEMBL_1546879 (CHEMBL3747982)	Inhibition of human MAPKAPK2 using [KKLNRTLSVA] as substrate
50046897	147	ChEMBL_1543402 (CHEMBL3750006)	Inhibition of human PKCgamma using histone H1 as substrate
50046897	148	ChEMBL_1543403 (CHEMBL3750007)	Inhibition of human PKCiota using [ERMRPRKRQGSVRRRV] as substrate
50046897	149	ChEMBL_1543404 (CHEMBL3750008)	Inhibition of human PKCmu using [KKLNRTLSVA] as substrate
50046897	150	ChEMBL_1543405 (CHEMBL3750009)	Inhibition of human PKCnu using [KKLNRTLSVA] as substrate
50046897	151	ChEMBL_1543406 (CHEMBL3750010)	Inhibition of human PKCtheta using histone H1 as substrate
50046897	152	ChEMBL_1543407 (CHEMBL3750011)	Inhibition of human PKCzeta using [ERMRPRKRQGSVRRRV] as substrate
50046897	153	ChEMBL_1543408 (CHEMBL3750012)	Inhibition of human PKD2 using [KKLNRTLSVA] as substrate
50046897	154	ChEMBL_1543409 (CHEMBL3750013)	Inhibition of human PKG1alpha using [LRRASLG] as substrate
50046897	155	ChEMBL_1543410 (CHEMBL3750014)	Inhibition of human PKG1beta using [LRRASLG] as substrate
50046897	156	ChEMBL_1543412 (CHEMBL3750016)	Inhibition of human PKN1 using [KKLNRTLSVA] as substrate
50046897	157	ChEMBL_1543413 (CHEMBL3750017)	Inhibition of human PKN2 using [KKLNRTLSVA] as substrate
50046897	158	ChEMBL_1543414 (CHEMBL3750018)	Inhibition of human PKN3 using [KKLNRTLSVA] as substrate
50046897	159	ChEMBL_1543415 (CHEMBL3750019)	Inhibition of human PLK1 using casein as substrate
50046897	160	ChEMBL_1543416 (CHEMBL3750020)	Inhibition of human PLK2 using casein as substrate
50046897	161	ChEMBL_1543417 (CHEMBL3750021)	Inhibition of human PLK3 using casein as substrate
50046897	162	ChEMBL_1543418 (CHEMBL3750022)	Inhibition of human PLK4 using casein as substrate
50046897	163	ChEMBL_1543419 (CHEMBL3750023)	Inhibition of human PRKX using [LRRASLG] as substrate
50046897	164	ChEMBL_1543420 (CHEMBL3750024)	Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate
50046897	165	ChEMBL_1543421 (CHEMBL3750025)	Inhibition of human RAF1 using MEK1 as substrate
50046897	166	ChEMBL_1543422 (CHEMBL3750026)	Inhibition of human RET using [KKKSPGEYVNIEFG] as substrate
50046897	167	ChEMBL_1543423 (CHEMBL3750027)	Inhibition of human RIPK2 using MBP substrate
50046897	168	ChEMBL_1543424 (CHEMBL3750028)	Inhibition of human RIPK3 using MBP substrate
50046897	169	ChEMBL_1543425 (CHEMBL3750029)	Inhibition of human RIPK5 using MBP substrate
50046897	170	ChEMBL_1543426 (CHEMBL3750030)	Inhibition of human ROCK1 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	171	ChEMBL_1543427 (CHEMBL3750031)	Inhibition of human ROCK2 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50028100	1	ChEMBL_540649 (CHEMBL1023899)	Potentiation of TNF-alpha-induced NF-kappaB p65 nuclear translocation in HUVEC cells by immunostaining
50028100	2	ChEMBL_540650 (CHEMBL1023900)	Induction of NF-kappaB p65 nuclear translocation in HUVEC cells by immunostaining
50028102	3	ChEMBL_516255 (CHEMBL985925)	Inhibition of human recombinant COX2 by enzyme immuno assay
50028102	1	ChEMBL_516254 (CHEMBL985924)	Inhibition of ovine COX1 by enzyme immuno assay
50028102	2	ChEMBL_516258 (CHEMBL985928)	Inhibition of ovine COX2 by enzyme immuno assay
50028104	3	ChEMBL_516264 (CHEMBL985934)	Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50028104	2	ChEMBL_516265 (CHEMBL985935)	Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50028104	1	ChEMBL_516266 (CHEMBL985936)	Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50028105	2	ChEMBL_516273 (CHEMBL985943)	Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot
50028105	1	ChEMBL_516274 (CHEMBL985944)	Activity of GABA transaminase in rat brain
50028109	9	ChEMBL_516387 (CHEMBL988626)	Inhibition of human adenosine A2B receptor
50028109	6	ChEMBL_516388 (CHEMBL988627)	Inhibition of human adenosine A3 receptor
50028109	3	ChEMBL_516361 (CHEMBL987748)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells
50028109	8	ChEMBL_516364 (CHEMBL987751)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells
50028109	4	ChEMBL_516362 (CHEMBL987749)	Antagonist activity at human adenosine A2A receptor assessed as inhibition of CGS-21680-stimulated cAMP production
50028109	2	ChEMBL_516368 (CHEMBL987755)	Displacement of [3H]ZM241385 from rat adenosine A2A receptor expressed in CHO cells
50028109	1	ChEMBL_516369 (CHEMBL987756)	Inhibition of CYP3A4
50028109	10	ChEMBL_516370 (CHEMBL987757)	Inhibition of CYP2D6
50028109	11	ChEMBL_516371 (CHEMBL987758)	Inhibition of CYP2C9
50028109	5	ChEMBL_516372 (CHEMBL987759)	Inhibition of CYP2C19
50028109	7	ChEMBL_516373 (CHEMBL987760)	Inhibition of CYP1A2
50028112	1	ChEMBL_516599 (CHEMBL988686)	Inhibition of fructose-1,6-bisphosphatase in mouse liver homogenates by colorimetric phosphate assay
50046897	172	ChEMBL_1543428 (CHEMBL3750032)	Inhibition of human RON using [KKSRGDYMTMQIG] as substrate
50046897	173	ChEMBL_1543429 (CHEMBL3750033)	Inhibition of human ROS using [KKKSPGEYVNIEFG] as substrate
50046897	174	ChEMBL_1543430 (CHEMBL3750034)	Inhibition of human RSK1 using [KKLNRTLSVA] as substrate
50046897	175	ChEMBL_1543431 (CHEMBL3750035)	Inhibition of human RSK2 using [KKLNRTLSVA] as substrate
50046897	176	ChEMBL_1543432 (CHEMBL3750036)	Inhibition of human RSK3 using [KKLNRTLSVA] as substrate
50046897	177	ChEMBL_1543433 (CHEMBL3750152)	Inhibition of human RSK4 using [KEAKEKRQEQIAKRRRLSLRASTSKSGGSQK] as substrate
50046897	178	ChEMBL_1543434 (CHEMBL3750153)	Inhibition of human SGK1 using [KGSGSGRPRTSSFAEG] as substrate
50046897	179	ChEMBL_1543435 (CHEMBL3750154)	Inhibition of human SGK2 using [KGSGSGRPRTSSFAEG] as substrate
50046897	180	ChEMBL_1543436 (CHEMBL3750155)	Inhibition of human SGK3 using [GRPRTSSFAEG] as substrate
50046897	181	ChEMBL_1543437 (CHEMBL3750156)	Inhibition of human SIK1 using [AMARAASAAALARRR] as substrate
50046897	182	ChEMBL_1543438 (CHEMBL3750157)	Inhibition of human SIK2 using [AMARAASAAALARRR] as substrate
50046897	183	ChEMBL_1543439 (CHEMBL3750158)	Inhibition of human SIK3 using [AMARAASAAALARRR] as substrate
50046897	184	ChEMBL_1543440 (CHEMBL3750159)	Inhibition of human SLK using histone H3 as substrate
50046897	185	ChEMBL_1543441 (CHEMBL3750160)	Inhibition of human SNARK using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	186	ChEMBL_1543442 (CHEMBL3750161)	Inhibition of human SRMS using poly[Glu:Tyr] (4:1) as substrate
50046897	187	ChEMBL_1543443 (CHEMBL3750162)	Inhibition of human SRPK1 using [GRSRSRSRSR] as substrate
50046897	188	ChEMBL_1543444 (CHEMBL3750163)	Inhibition of human SRPK2 using [GRSRSRSRSR] as substrate
50046897	189	ChEMBL_1543445 (CHEMBL3750164)	Inhibition of human SSTK using MBP substrate
50046897	190	ChEMBL_1543446 (CHEMBL3750165)	Inhibition of human STK16 using MBP substrate
50046897	191	ChEMBL_1543447 (CHEMBL3750166)	Inhibition of human STK22D using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	192	ChEMBL_1543448 (CHEMBL3750167)	Inhibition of human STK25 using MBP substrate
50046897	193	ChEMBL_1543449 (CHEMBL3750168)	Inhibition of human STK32B using MBP substrate
50046897	194	ChEMBL_1543450 (CHEMBL3750169)	Inhibition of human STK32C using MBP substrate
50046897	195	ChEMBL_1543451 (CHEMBL3750170)	Inhibition of human STK33 using MBP substrate
50046897	196	ChEMBL_1543452 (CHEMBL3750171)	Inhibition of human STK38 using [KKRNRRLSVA] as substrate
50046897	197	ChEMBL_1543453 (CHEMBL3750172)	Inhibition of human STK38L using [KKRNRRLSVA] as substrate
50046897	198	ChEMBL_1543454 (CHEMBL3750173)	Inhibition of human STK39 using MBP substrate
50046897	199	ChEMBL_1543455 (CHEMBL3750174)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate
50046897	200	ChEMBL_1543456 (CHEMBL3750175)	Inhibition of human TAK1 using casein as substrate
50046897	201	ChEMBL_1543457 (CHEMBL3750176)	Inhibition of human TAOK1 using MBP substrate
50046897	202	ChEMBL_1543458 (CHEMBL3750177)	Inhibition of human TAOK2 using MBP substrate
50046897	203	ChEMBL_1543459 (CHEMBL3750178)	Inhibition of human TAOK3 using MBP substrate
50046897	204	ChEMBL_1543460 (CHEMBL3750179)	Inhibition of human TBK1 using [KRRRAL[pS]VASLPGL] as substrate
50046897	205	ChEMBL_1543461 (CHEMBL3750180)	Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate
50046897	206	ChEMBL_1543462 (CHEMBL3750181)	Inhibition of human TESK1 using cofilin as substrate
50046897	207	ChEMBL_1543463 (CHEMBL3750182)	Inhibition of human TGFBR2 using MBP substrate
50046897	208	ChEMBL_1543464 (CHEMBL3750183)	Inhibition of human TIE2 using poly[Glu:Tyr] (4:1) as substrate
50046897	209	ChEMBL_1543465 (CHEMBL3750184)	Inhibition of human TLK1 using histone H3 as substrate
50046897	210	ChEMBL_1543466 (CHEMBL3750185)	Inhibition of human TLK2 using casein as substrate
50046897	211	ChEMBL_1543467 (CHEMBL3750186)	Inhibition of human TNIK using [RLGRDKYKTLRQIRQ] as substrate
50046897	212	ChEMBL_1543468 (CHEMBL3750187)	Inhibition of human TNK1 using poly[Glu:Tyr] (4:1) as substrate
50046897	213	ChEMBL_1543469 (CHEMBL3750188)	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate
50046897	214	ChEMBL_1543470 (CHEMBL3750189)	Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate
50046897	215	ChEMBL_1543471 (CHEMBL3750190)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate
50046897	216	ChEMBL_1543472 (CHEMBL3750191)	Inhibition of human TSSK2 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	217	ChEMBL_1543473 (CHEMBL3750192)	Inhibition of human TSSK3 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	218	ChEMBL_1543474 (CHEMBL3750193)	Inhibition of human TTBK1 using MBP substrate
50046897	219	ChEMBL_1543475 (CHEMBL3750194)	Inhibition of human TTBK2 using MBP substrate
50046897	220	ChEMBL_1543476 (CHEMBL3750195)	Inhibition of human TXK using [EAIYAAPFAKKK] as substrate
50046897	221	ChEMBL_1543477 (CHEMBL3750196)	Inhibition of human TYK1 using [EAIYAAPFAKKK] as substrate
50046897	222	ChEMBL_1543478 (CHEMBL3750197)	Inhibition of human TYK2 using [KKSRGDYMTMQIG] as substrate
50046897	223	ChEMBL_1543479 (CHEMBL3750198)	Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate
50046897	224	ChEMBL_1543480 (CHEMBL3750199)	Inhibition of human ULK1 using MBP substrate
50046897	225	ChEMBL_1543481 (CHEMBL3750200)	Inhibition of human ULK2 using MBP substrate
50046897	226	ChEMBL_1546434 (CHEMBL3748625)	Inhibition of human Aurora A using [H-LRRASLG] as substrate
50046897	227	ChEMBL_1546435 (CHEMBL3748626)	Inhibition of human Aurora B using [H-LRRASLG] as substrate
50028114	1	ChEMBL_560668 (CHEMBL1009940)	Inhibition of human kynureninase
50046897	228	ChEMBL_1546436 (CHEMBL3748627)	Inhibition of human Aurora C using [H-LRRASLG] as substrate
50046897	229	ChEMBL_1546437 (CHEMBL3748628)	Inhibition of human AXL using [EAIYAAPFAKKK] as substrate
50046897	230	ChEMBL_1546438 (CHEMBL3748629)	Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate
50046897	231	ChEMBL_1546439 (CHEMBL3748630)	Inhibition of human BMPR2 using MBP as substrate
50046897	232	ChEMBL_1546440 (CHEMBL3748631)	Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate
50046897	233	ChEMBL_1546441 (CHEMBL3748632)	Inhibition of human BRAF using MEK1 as substrate
50046897	234	ChEMBL_1546442 (CHEMBL3748633)	Inhibition of human BRK using poly[Glu:Tyr] (4:1) as substrate
50046897	235	ChEMBL_1546443 (CHEMBL3748634)	Inhibition of human BRSK1 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	236	ChEMBL_1546444 (CHEMBL3748635)	Inhibition of human BRSK2 using [KKLNRTLSFAEPG] as substrate
50046897	237	ChEMBL_1546445 (CHEMBL3748636)	Inhibition of human BTK using [KVEKIGEGTYGVVYK] as substrate
50046897	238	ChEMBL_1546446 (CHEMBL3748637)	Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate
50046897	239	ChEMBL_1546447 (CHEMBL3748638)	Inhibition of human c-MER using poly[Glu:Tyr] (4:1) as substrate
50046897	240	ChEMBL_1546448 (CHEMBL3748639)	Inhibition of human c-MET using [KKKSPGEYVNIEFG] as substrate
50046897	241	ChEMBL_1546449 (CHEMBL3748640)	Inhibition of human c-Src using poly[Glu:Tyr] (4:1) as substrate
50046897	242	ChEMBL_1546450 (CHEMBL3748641)	Inhibition of human CAMK1alpha using [KKALRRQETVDAL] as substrate
50046897	243	ChEMBL_1546451 (CHEMBL3748642)	Inhibition of human CAMK1beta using [KKALRRQETVDAL] as substrate
50046897	244	ChEMBL_1546452 (CHEMBL3748643)	Inhibition of human CAMK1delta using [KKALRRQETVDAL] as substrate
50046897	245	ChEMBL_1546453 (CHEMBL3748644)	Inhibition of human CAMK1gamma using [KKALRRQETVDAL] as substrate
50046897	246	ChEMBL_1546454 (CHEMBL3748645)	Inhibition of human CAMK2alpha using [KKLNRTLSFAEPG] as substrate
50046897	247	ChEMBL_1546455 (CHEMBL3748646)	Inhibition of human CAMK2beta using [KKALRRQETVDAL] as substrate
50046897	248	ChEMBL_1546456 (CHEMBL3748647)	Inhibition of human CAMK2delta using [KKLNRTLSFAEPG] as substrate
50028122	2	ChEMBL_540736 (CHEMBL1030618)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor
50028122	1	ChEMBL_540738 (CHEMBL1030620)	Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR
50028125	3	ChEMBL_517099 (CHEMBL988704)	Binding affinity to rat MOPR expressed in CHO cells
50028125	4	ChEMBL_517100 (CHEMBL988705)	Binding affinity to mouse DOPR expressed in CHO cells
50028125	2	ChEMBL_517096 (CHEMBL988701)	Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells
50028125	1	ChEMBL_517097 (CHEMBL988702)	Agonist activity at human KOPR expressed in CHO cells assessed as enhancement of [35S]GTPgammaS binding
50028130	1	ChEMBL_540786 (CHEMBL1033189)	Inhibition of human 5LOX expressed in HEK293 cells
50028131	1	ChEMBL_540788 (CHEMBL1033191)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells
50028131	2	ChEMBL_540789 (CHEMBL1033192)	Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells assessed as blockage of 5-HT-stimulated cAMP formation after 10 mins by radioimmunoassay
50046897	249	ChEMBL_1546457 (CHEMBL3748648)	Inhibition of human CAMK2gamma using [KKLNRTLSFAEPG] as substrate
50046897	250	ChEMBL_1546458 (CHEMBL3748649)	Inhibition of human CAMK4 using [KKLNRTLSFAEPG] as substrate
50046897	251	ChEMBL_1546459 (CHEMBL3748650)	Inhibition of human CAMKK1 using MBP as substrate
50046897	252	ChEMBL_1546460 (CHEMBL3748651)	Inhibition of human CAMKK2 using MBP as substrate
50046897	253	ChEMBL_1546461 (CHEMBL3748652)	Inhibition of human CDC7/DBF4 using [KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC] as substrate
50046897	254	ChEMBL_1546463 (CHEMBL3748654)	Inhibition of human CDK1/cyclin B using histone H1 as substrate
50046897	255	ChEMBL_1546464 (CHEMBL3748655)	Inhibition of human CDK1/cyclin E using RP protein as substrate
50046897	256	ChEMBL_1546466 (CHEMBL3748657)	Inhibition of human CDK2/cyclin A using histone H1 as substrate
50046897	257	ChEMBL_1546467 (CHEMBL3748658)	Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate
50046897	258	ChEMBL_1546468 (CHEMBL3748659)	Inhibition of human CDK2/cyclin E using histone H1 as substrate
50046897	259	ChEMBL_1546469 (CHEMBL3748660)	Inhibition of human CDK3/cyclin E using histone H1 as substrate
50046897	260	ChEMBL_1546470 (CHEMBL3748661)	Inhibition of human CDK4/cyclin D1 using RB-CTF as substrate
50046897	261	ChEMBL_1546471 (CHEMBL3748662)	Inhibition of human CDK4/cyclin D3 using RB-CTF as substrate
50046897	262	ChEMBL_1546880 (CHEMBL3747983)	Inhibition of human MAPKAPK3 using [KKLNRTLSVA] as substrate
50046897	263	ChEMBL_1546881 (CHEMBL3747984)	Inhibition of human MAPKAPK5 using [KKLNRTLSVA] as substrate
50046897	264	ChEMBL_1546882 (CHEMBL3747985)	Inhibition of human MARK1 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	265	ChEMBL_1546883 (CHEMBL3747986)	Inhibition of human MARK2 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	266	ChEMBL_1546884 (CHEMBL3747987)	Inhibition of human MARK3 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	267	ChEMBL_1546885 (CHEMBL3747988)	Inhibition of human MARK4 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate
50046897	268	ChEMBL_1546886 (CHEMBL3747989)	Inhibition of human MEK1 using ERK2 as substrate
50028134	1	ChEMBL_540794 (CHEMBL1033197)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
50028134	2	ChEMBL_540793 (CHEMBL1033196)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting
50028134	6	ChEMBL_541031 (CHEMBL1024731)	Displacement of [125I]DOI from human dopamine D4 receptor by liquid scintillation counting
50028134	4	ChEMBL_540797 (CHEMBL1033200)	Displacement of [3H]8OH-DPAT from human 5HT1A receptor by liquid scintillation counting
50028134	3	ChEMBL_540798 (CHEMBL1034039)	Displacement of [125I]DOI from human 5HT2A receptor by liquid scintillation counting
50028134	5	ChEMBL_540799 (CHEMBL1034040)	Displacement of [125I]DOI from human 5HT2C receptor by liquid scintillation counting
50028136	1	ChEMBL_517118 (CHEMBL989581)	Inhibition of COX2 by enzyme immunoassay
50046897	269	ChEMBL_1546887 (CHEMBL3747990)	Inhibition of human MEK2 using ERK2 as substrate
50046897	270	ChEMBL_1546888 (CHEMBL3747991)	Inhibition of human MEK3 using p38alpha as substrate
50046897	271	ChEMBL_1546889 (CHEMBL3747992)	Inhibition of human MEKK1 using MBP as substrate
50046897	272	ChEMBL_1546890 (CHEMBL3747993)	Inhibition of human MEKK2 using MBP as substrate
50046897	273	ChEMBL_1546891 (CHEMBL3747994)	Inhibition of human MEKK3 using MBP as substrate
50046897	274	ChEMBL_1546892 (CHEMBL3747995)	Inhibition of human MELK using [KKLNRTLSFAEPG] as substrate
50046897	275	ChEMBL_1546893 (CHEMBL3747996)	Inhibition of human MINK using MBP as substrate
50046897	276	ChEMBL_1546894 (CHEMBL3747997)	Inhibition of human MKK4
50046897	277	ChEMBL_1546895 (CHEMBL3747998)	Inhibition of human MKK6 using p38alpha as substrate
50046897	278	ChEMBL_1546896 (CHEMBL3747999)	Inhibition of human MLCK using [KKLNRTLSFAEPG] as substrate
50046897	279	ChEMBL_1546897 (CHEMBL3748000)	Inhibition of human MLCK2 using [KKLNRTLSFAEPG] as substrate
50046897	280	ChEMBL_1546898 (CHEMBL3748001)	Inhibition of human MLK1 using casein as substrate
50046897	281	ChEMBL_1546899 (CHEMBL3748002)	Inhibition of human MLK2 using MBP as substrate
50046897	282	ChEMBL_1546900 (CHEMBL3748003)	Inhibition of human MLK3 using MBP as substrate
50028138	1	ChEMBL_540808 (CHEMBL1034049)	Displacement of [3H]ifenprodil from NMDA NR2B receptor in Wistar rat cerebral cortex membrane
50046897	283	ChEMBL_1546901 (CHEMBL3748004)	Inhibition of human MNK1 using MBP as substrate
50046897	284	ChEMBL_1546902 (CHEMBL3748005)	Inhibition of human MNK2 using MBP as substrate
50046897	285	ChEMBL_1546903 (CHEMBL3748006)	Inhibition of human MRCKalpha using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	286	ChEMBL_1546904 (CHEMBL3748007)	Inhibition of human MRCKbeta using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	287	ChEMBL_1546905 (CHEMBL3748008)	Inhibition of human MSK1 using [GRPRTSSFAEG] as substrate
50046897	288	ChEMBL_1546906 (CHEMBL3748009)	Inhibition of human MSK2 using [GRPRTSSFAEG] as substrate
50046897	289	ChEMBL_1546907 (CHEMBL3748010)	Inhibition of human MSSK1 using [GRSRSRSRSR] as substrate
50046897	290	ChEMBL_1546908 (CHEMBL3748011)	Inhibition of human MST1 using [KKSRGDYMTMQIG] as substrate
50046897	291	ChEMBL_1546909 (CHEMBL3748012)	Inhibition of human MST2 using MBP as substrate
50046897	292	ChEMBL_1546910 (CHEMBL3748013)	Inhibition of human MST3 using MBP as substrate
50046897	293	ChEMBL_1546911 (CHEMBL3748014)	Inhibition of human MST4 using MBP as substrate
50046897	294	ChEMBL_1546912 (CHEMBL3748015)	Inhibition of human MUSK using MBP as substrate
50046897	295	ChEMBL_1546913 (CHEMBL3748016)	Inhibition of human MYLK3 using [KKLNRTLSFAEPG] as substrate
50046897	296	ChEMBL_1546914 (CHEMBL3748017)	Inhibition of human MYO3b using MBP as substrate
50046897	297	ChEMBL_1546915 (CHEMBL3748018)	Inhibition of human NEK1 using MBP as substrate
50046897	298	ChEMBL_1546916 (CHEMBL3748019)	Inhibition of human NEK11 using MBP as substrate
50046897	299	ChEMBL_1546917 (CHEMBL3748020)	Inhibition of human NEK2 using MBP as substrate
50046897	300	ChEMBL_1546918 (CHEMBL3748021)	Inhibition of human NEK3 using MBP as substrate
50046897	301	ChEMBL_1546919 (CHEMBL3748022)	Inhibition of human NEK4 using MBP as substrate
50046897	302	ChEMBL_1546920 (CHEMBL3748023)	Inhibition of human NEK5 using MBP as substrate
50046897	303	ChEMBL_1546921 (CHEMBL3748024)	Inhibition of human NEK6 using MBP as substrate
50046897	304	ChEMBL_1546922 (CHEMBL3748025)	Inhibition of human NEK7 using MBP as substrate
50046897	305	ChEMBL_1546923 (CHEMBL3748026)	Inhibition of human NEK9 using MBP as substrate
50046897	306	ChEMBL_1546924 (CHEMBL3748027)	Inhibition of human NLK using MBP as substrate
50046897	307	ChEMBL_1546925 (CHEMBL3748028)	Inhibition of human OSR1 using [RRHYYYDTHTNTYYLRTFGHNTRR] as substrate
50046897	308	ChEMBL_1546926 (CHEMBL3748029)	Inhibition of human P38alpha using MBP as substrate
50046897	309	ChEMBL_1546927 (CHEMBL3748030)	Inhibition of human P38beta using MBP as substrate
50046897	310	ChEMBL_1546928 (CHEMBL3748031)	Inhibition of human P38delta using MBP as substrate
50046897	311	ChEMBL_1546929 (CHEMBL3748032)	Inhibition of human P38gamma using MBP as substrate
50046897	312	ChEMBL_1546930 (CHEMBL3748033)	Inhibition of human RPS6KB1 using [KKRNRTLTK] as substrate
50046897	313	ChEMBL_1546931 (CHEMBL3748034)	Inhibition of human RPS6KB2 using [KKRNRTLTK] as substrate
50046897	314	ChEMBL_1546932 (CHEMBL3748035)	Inhibition of human PAK1 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] substrate
50046897	315	ChEMBL_1546933 (CHEMBL3748036)	Inhibition of human PAK2 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] substrate
50046897	316	ChEMBL_1546934 (CHEMBL3748037)	Inhibition of human PAK3 using [KKLNRTLSFAEPG] substrate
50046897	317	ChEMBL_1546935 (CHEMBL3748038)	Inhibition of human PAK4 using MBP substrate
50046897	318	ChEMBL_1546936 (CHEMBL3748039)	Inhibition of human PAK5 using [KKLNRTLSFAEPG] substrate
50046897	319	ChEMBL_1546937 (CHEMBL3748040)	Inhibition of human PAK6 using [KKLNRTLSFAEPG] substrate
50046897	320	ChEMBL_1546938 (CHEMBL3748041)	Inhibition of human PASK using [KKLNRTLSFAEPG] substrate
50046897	321	ChEMBL_1546939 (CHEMBL3748042)	Inhibition of human PBK using MBP substrate
50028144	2	ChEMBL_540819 (CHEMBL1034060)	Agonist activity at rat recombinant TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium concentration by fluorimetric test
50028144	1	ChEMBL_540823 (CHEMBL1036705)	Agonist activity at rat recombinant TRPM8 receptor expressed in HEK293 cells assessed as increase in intracellular calcium concentration by fluorimetric test
50046897	322	ChEMBL_1546940 (CHEMBL3748043)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate
50046897	323	ChEMBL_1546941 (CHEMBL3748044)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate
50046897	324	ChEMBL_1546942 (CHEMBL3748045)	Inhibition of human PDK1 using MBP substrate
50046897	325	ChEMBL_1546943 (CHEMBL3748046)	Inhibition of human PHKg1 using [KKLNRTLSFAEPG] as substrate
50046897	326	ChEMBL_1546944 (CHEMBL3748047)	Inhibition of human PHKg2 using [KKLNRTLSFAEPG] as substrate
50046897	327	ChEMBL_1546945 (CHEMBL3748048)	Inhibition of human PIM1 using [KKRNRTLTK] as substrate
50046897	328	ChEMBL_1546946 (CHEMBL3748049)	Inhibition of human PIM2 using [RSRHSSYPAGT] as substrate
50046897	329	ChEMBL_1546947 (CHEMBL3748050)	Inhibition of human PIM3 using [RSRHSSYPAGT] as substrate
50046897	330	ChEMBL_1546949 (CHEMBL3748052)	Inhibition of human PKAcbeta using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	331	ChEMBL_1546950 (CHEMBL3748053)	Inhibition of human PKAcgamma using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate
50046897	332	ChEMBL_1546951 (CHEMBL3748054)	Inhibition of human PKCalpha using histone H1 as substrate
50046897	333	ChEMBL_1546952 (CHEMBL3748055)	Inhibition of human PKCb1 using histone H1 as substrate
50046897	334	ChEMBL_1546953 (CHEMBL3748056)	Inhibition of human PKCb2 using histone H1 as substrate
50046897	335	ChEMBL_1546954 (CHEMBL3748057)	Inhibition of human PKCdelta using histone H1 as substrate
50046897	336	ChEMBL_1546955 (CHEMBL3748058)	Inhibition of human PKCepsilon using [ERMRPRKRQGSVRRRV] as substrate
50046897	337	ChEMBL_1543401 (CHEMBL3750005)	Inhibition of human PKCeta using [ERMRPRKRQGSVRRRV] as substrate
50046871	1	ChEMBL_1549362 (CHEMBL3755214)	Inhibition of porcine brain tubulin polymerization by spectrophotometric analysis
50046898	1	ChEMBL_1549378 (CHEMBL3755230)	Binding affinity to DNA-tagged GAK (unknown origin) assessed as binding of DNA-tagged-GAK to immobilized ligand by qPCR analysis relative to control
50046873	2	ChEMBL_1549624 (CHEMBL3756684)	Inhibition of human NMT1 by 7-diethylamine-3-(4'maleimidylphenyl)-4-methylcoumarin based fluorescence assay
50028145	2	ChEMBL_540843 (CHEMBL1036725)	Inhibition of AChE in rat cortex preincubated for 20 mins by Ellman method
50046899	1	ChEMBL_1547327 (CHEMBL3756963)	Inhibition of human aromatase extracted from placental microsomes using [1beta-3H]androstenedione as substrate after 20 mins by scintillation counting analysis
50028151	1	ChEMBL_540860 (CHEMBL1023928)	Inhibition of microtubule-stimulated recombinant Eg5 assessed as inhibition ATP hydrolysis by luminescent kinase assay
50028153	3	ChEMBL_540895 (CHEMBL1026569)	Displacement of [125]Mip1beta form CCR5 receptor expressed in MIP34.10 cells
50028153	2	ChEMBL_540897 (CHEMBL1026571)	Displacement of [3H]dofetilide form human ERG expressed in HEK239 cells
50028153	1	ChEMBL_540889 (CHEMBL1026563)	Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 expressing CHO cells by cell-cell fusion assay
50046899	2	ChEMBL_1547340 (CHEMBL3757117)	Inhibition of human aromatase after 30 mins by fluorescence assay
50046899	3	ChEMBL_1547124 (CHEMBL3755859)	Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD
50028155	1	ChEMBL_540911 (CHEMBL1027336)	Inhibition of ACAT in human HepG2 cells
50028159	5	ChEMBL_540960 (CHEMBL1030680)	Displacement of [125I]U69593 from human cloned kappa opioid receptor
50046899	4	ChEMBL_1547313 (CHEMBL3756949)	Competitive inhibition of human aromatase extracted from placental microsomes by double reciprocal plot analysis in presence of 4-androstene-3,17-dione
50046899	5	ChEMBL_1547118 (CHEMBL3755853)	Inhibition of human aromatase extracted from placental microsomes using [1,2-3H]androstenedione as substrate after 30 mins
50046899	6	ChEMBL_1547119 (CHEMBL3755854)	Irreversible inhibition of human aromatase extracted from placental microsomes
50046899	7	ChEMBL_1547120 (CHEMBL3755855)	Competitive inhibition of human aromatase extracted from placental microsomes
50046899	8	ChEMBL_1547122 (CHEMBL3755857)	Inhibition of human aromatase extracted from placental microsomes using [1beta-3H]AD as substrate by radiometric assay
50028159	3	ChEMBL_540966 (CHEMBL1028123)	Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding
50046899	9	ChEMBL_1547123 (CHEMBL3755858)	Competitive inhibition of human aromatase extracted from placental microsomes by Dixon plot analysis in presence of [1beta-3H]AD
50028159	2	ChEMBL_540966 (CHEMBL1028123)	Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding
50028160	1	ChEMBL_540974 (CHEMBL1028131)	Inhibition of soluble epoxide hydrolase by fluorescence assay
50028162	1	ChEMBL_540982 (CHEMBL1028139)	Binding affinity to human full length Histidine6-tagged Hsp90alpha expressed in Escherichia coli BL21 DE3 by ITC
50028164	1	ChEMBL_541049 (CHEMBL1024749)	Inhibition of human recombinant casein kinase 2 subunit alpha expressed in Escherichia coli BL21 (DE3) assessed as [32P] incorporation by liquid scintillation counting
50028167	1	ChEMBL_541078 (CHEMBL1024778)	Displacement of phenylethanolamine from human PNMT by competitive inhibition assay
50028167	2	ChEMBL_541073 (CHEMBL1024773)	Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet
50028172	3	ChEMBL_542994 (CHEMBL1018610)	Inhibition of taurine transporter
50046899	10	ChEMBL_1547307 (CHEMBL3756943)	Inhibition of human aromatase extracted from placental microsomes using [1,2-3H]androstenedione as substrate after 20 mins by scintillation counting analysis
50046899	11	ChEMBL_1547299 (CHEMBL3756935)	Competitive inhibition of human aromatase extracted from placental microsomes after 10 mins in presence of [1beta-3H]androstenedione
50046899	12	ChEMBL_1547308 (CHEMBL3756944)	Inhibition of aromatase (unknown origin)
50046899	13	ChEMBL_1547309 (CHEMBL3756945)	Competitive inhibition of human aromatase extracted from placental microsomes in presence of [1beta-3H]androstenedione
50046899	14	ChEMBL_1547312 (CHEMBL3756948)	Competitive inhibition of human aromatase extracted from placental microsomes by Lineweaver- Burk plots analysis in presence of 4-androstene-3,17-dione
50046876	9	ChEMBL_1547358 (CHEMBL3757135)	Inhibition of recombinant human FGR by radiometric assay in presence of [gamma-33P]-ATP
50046876	21	ChEMBL_1547165 (CHEMBL3756068)	Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP
50028177	5	ChEMBL_543010 (CHEMBL1018626)	Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH
50028177	3	ChEMBL_543016 (CHEMBL1018632)	Inhibition of human ERG by patch clamp technique
50028177	4	ChEMBL_543015 (CHEMBL1018631)	Inhibition of CYP3A4
50028177	1	ChEMBL_543009 (CHEMBL1018625)	Inhibition of full length human recombinant 11beta-HSD1 expressed in baculovirus insect cell system assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH
50028177	2	ChEMBL_543017 (CHEMBL1018633)	Inhibition of human 11beta-HSD2
50028179	1	ChEMBL_543044 (CHEMBL1021285)	Inhibition of mushroom tyrosinase activity after 20 mins
50028180	1	ChEMBL_543447 (CHEMBL1015995)	Inhibition of recombinant HDAC2 by fluorimetric assay
50028180	4	ChEMBL_543448 (CHEMBL1015996)	Inhibition of recombinant HDAC3 by fluorimetric assay
50028180	3	ChEMBL_543449 (CHEMBL1015997)	Inhibition of recombinant HDAC4 by fluorimetric assay
50046876	16	ChEMBL_1547360 (CHEMBL3757137)	Inhibition of recombinant human MEK1 by radiometric assay in presence of [gamma-33P]-ATP
50028180	9	ChEMBL_543451 (CHEMBL1015999)	Inhibition of recombinant HDAC6 by fluorimetric assay
50028180	10	ChEMBL_543452 (CHEMBL1016000)	Inhibition of recombinant HDAC8 by fluorimetric assay
50028180	7	ChEMBL_543453 (CHEMBL1016001)	Inhibition of recombinant HDAC9 by fluorimetric assay
50028180	8	ChEMBL_543454 (CHEMBL1016002)	Inhibition of recombinant HDAC10 by fluorimetric assay
50028180	2	ChEMBL_543455 (CHEMBL1016003)	Inhibition of recombinant HDAC11 by fluorimetric assay
50028180	5	ChEMBL_543051 (CHEMBL1021292)	Inhibition of recombinant HDAC1 by fluorimetric assay
50046876	6	ChEMBL_1547159 (CHEMBL3756062)	Inhibition of recombinant human p70S6K by radiometric assay in presence of [gamma-33P]-ATP
50046876	19	ChEMBL_1547152 (CHEMBL3756055)	Inhibition of CYP2C19 (unknown origin)
50028181	3	ChEMBL_543463 (CHEMBL1016011)	Inhibition of taurine transporter
50046876	15	ChEMBL_1547173 (CHEMBL3756076)	Inhibition of human Ret M918T mutant by radiometric assay in presence of [gamma-33P]-ATP
50046876	10	ChEMBL_1547170 (CHEMBL3756073)	Inhibition of human Ret Y791F mutant by radiometric assay in presence of [gamma-33P]-ATP
50046876	14	ChEMBL_1547172 (CHEMBL3756075)	Inhibition of human Ret S891A mutant by radiometric assay in presence of [gamma-33P]-ATP
50046876	13	ChEMBL_1547150 (CHEMBL3756053)	Inhibition of CYP2D6 (unknown origin)
50046876	4	ChEMBL_1547156 (CHEMBL3756059)	Inhibition of CYP1A2 (unknown origin)
50046876	11	ChEMBL_1547171 (CHEMBL3756074)	Inhibition of human Ret V804L mutant by radiometric assay in presence of [gamma-33P]-ATP
50046876	3	ChEMBL_1547164 (CHEMBL3756067)	Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP
50046876	5	ChEMBL_1547169 (CHEMBL3756072)	Inhibition of human Ret G691S mutant by radiometric assay in presence of [gamma-33P]-ATP
50046876	8	ChEMBL_1547149 (CHEMBL3756052)	Inhibition of CYP3A4 (unknown origin)
50046876	2	ChEMBL_1547359 (CHEMBL3757136)	Inhibition of recombinant human VGFR2 by radiometric assay in presence of [gamma-33P]-ATP
50046876	12	ChEMBL_1547160 (CHEMBL3756063)	Inhibition of recombinant human FLT4 by radiometric assay in presence of [gamma-33P]-ATP
50028183	1	ChEMBL_543474 (CHEMBL1018640)	Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells
50028183	2	ChEMBL_543475 (CHEMBL1018641)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells
50046876	20	ChEMBL_1547361 (CHEMBL3757138)	Inhibition of recombinant human HCK by radiometric assay in presence of [gamma-33P]-ATP
50046876	7	ChEMBL_1547357 (CHEMBL3757134)	Inhibition of recombinant human MEK2 by radiometric assay in presence of [gamma-33P]-ATP
50046876	17	ChEMBL_1547162 (CHEMBL3756065)	Inhibition of recombinant human RSK1 by radiometric assay in presence of [gamma-33P]-ATP
50046876	18	ChEMBL_1547151 (CHEMBL3756054)	Inhibition of CYP2C9 (unknown origin)
50046900	1	ChEMBL_1547614 (CHEMBL3755484)	Inhibition of CviR in Chromobacterium violaceum CV026 assessed as reduction of violacein production after 15 hrs
50046901	1	ChEMBL_1547629 (CHEMBL3755499)	Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay
50028189	2	ChEMBL_545265 (CHEMBL1020711)	Inhibition of KVLQT1/minK in guinea pig ventricular myocytes assessed as blockade of slow delayed rectifier potassium current by whole cell patch-clamp technique
50028189	1	ChEMBL_545264 (CHEMBL1020710)	Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rapid delayed rectifier potassium current by whole cell patch-clamp technique
50046901	2	ChEMBL_1547632 (CHEMBL3755502)	Binding affinity to RAP1 (unknown origin) incubated for 1 to 2 hrs by fluorescence polarization assay
50028191	1	ChEMBL_541154 (CHEMBL1030715)	Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis
50028192	1	ChEMBL_543527 (CHEMBL1019476)	Agonist activity at human thrombopoietin receptor transfected in mouse BAF3 cells assessed as stimulation of beta lactamase activity incubated in dark up to 1 hr
50046902	1	ChEMBL_1548095 (CHEMBL3757927)	Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
50046902	2	ChEMBL_1548096 (CHEMBL3757928)	Agonist activity at human S1P3 receptor expressed in EDG3-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
50028198	1	ChEMBL_565878 (CHEMBL959301)	Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose
50028198	2	ChEMBL_565879 (CHEMBL959302)	Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose
50028200	7	ChEMBL_565895 (CHEMBL959318)	Displacement of [3H]PGE2 from human EP3 receptor at 20 uM in presence of 10% human serum
50028200	2	ChEMBL_565894 (CHEMBL959317)	Displacement of [3H]PGE2 from human EP3 receptor at 20 uM in presence of normal buffer
50028200	5	ChEMBL_565897 (CHEMBL960843)	Displacement of radioligand from EP1 receptor
50028200	3	ChEMBL_565898 (CHEMBL960018)	Displacement of radioligand from EP2 receptor
50028200	8	ChEMBL_565899 (CHEMBL960019)	Displacement of radioligand from EP4 receptor
50028200	6	ChEMBL_565900 (CHEMBL960020)	Displacement of radioligand from IP receptor
50028200	4	ChEMBL_565901 (CHEMBL960021)	Displacement of radioligand from FP receptor
50028200	1	ChEMBL_565909 (CHEMBL960804)	Antagonist activity at human EP3-2 receptor expressed in CHOK1 cells
50028201	4	ChEMBL_565914 (CHEMBL960809)	Inhibition of VEGFR2 by HTRF assay in presence of 2 uM ATP
50028201	7	ChEMBL_565916 (CHEMBL960811)	Inhibition of VEGFR1 by HTRF assay
50028201	1	ChEMBL_565919 (CHEMBL960814)	Binding affinity to VEGFR2 at IC50 in presence of ATP
50028201	6	ChEMBL_565920 (CHEMBL960815)	Binding affinity to VEGFR2 at IC90 in presence of ATP
50028201	3	ChEMBL_565915 (CHEMBL960810)	Inhibition of VEGFR2 by HTRF assay in presence of 8 uM ATP
50028201	5	ChEMBL_565917 (CHEMBL960812)	Inhibition of VEGFR1 by HTRF assay in presence of 8 uM ATP
50028203	1	ChEMBL_541175 (CHEMBL1031464)	Antagonist activity at CXCR4 in human Jurkat cells assessed as inhibition of SDF1-induced cell migration
50028203	2	ChEMBL_541174 (CHEMBL1031463)	Displacement of [125I]SDF1alpha from CXCR4 in human HL60 cells
50028204	1	ChEMBL_541182 (CHEMBL1031471)	Inhibition of COX2
50028206	2	ChEMBL_517310 (CHEMBL1031363)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells
50028206	1	ChEMBL_517311 (CHEMBL1031364)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells
50028209	1	ChEMBL_566200 (CHEMBL963281)	Inhibition of Eimeria tenella parasite-specific cGMP-dependent protein kinase
50028213	1	ChEMBL_566215 (CHEMBL963296)	Agonist activity at NTR1 expressed in CHOK1 cells by calcium mobilization assay
50028215	2	ChEMBL_541189 (CHEMBL1031478)	Displacement of [125I]echistatin from integrin alphaVbeta5 receptor in human placenta by microplate scintillation counter
50028215	1	ChEMBL_541190 (CHEMBL1031479)	Displacement of [125I]echistatin from integrin alphaVbeta3 receptor in human placenta by microplate scintillation counter
50028219	1	ChEMBL_566219 (CHEMBL963300)	Inhibition of Enterococcus faecium VanA by pyruvate kinase/lactate dehydrogenase coupled assay
50028220	1	ChEMBL_566225 (CHEMBL963306)	Binding affinity to CXCR1
50028220	2	ChEMBL_566224 (CHEMBL963305)	Binding affinity to CXCR2
50046902	3	ChEMBL_1548097 (CHEMBL3757929)	Agonist activity at human S1P5 receptor expressed in EDG8-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
50028223	2	ChEMBL_566227 (CHEMBL963308)	Displacement of IL8 from CXCR1 receptor
50028223	3	ChEMBL_566228 (CHEMBL963309)	Displacement of IL8 from CXCR2 receptor
50028226	1	ChEMBL_541241 (CHEMBL1030674)	Inhibition of COX2 in LPS-stimulated human whole blood assessed as inhibition of PGE2 production by radioimmunoassay
50028228	1	ChEMBL_566231 (CHEMBL963312)	Inhibition of human NHE1 expressed in PS120 cells assessed as imposed acidosis
50046903	1	ChEMBL_1548347 (CHEMBL3755949)	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometric analysis
50046903	2	ChEMBL_1548346 (CHEMBL3755948)	Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot
50046903	3	ChEMBL_1548348 (CHEMBL3755950)	Non-competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot
50046904	1	ChEMBL_1548350 (CHEMBL3756134)	Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analysis
50046904	2	ChEMBL_1548351 (CHEMBL3756135)	Inhibition of human plasma kallikrein
50046904	3	ChEMBL_1548357 (CHEMBL3756141)	Inhibition of human coagulation factor 7a
50046904	4	ChEMBL_1548358 (CHEMBL3756142)	Inhibition of human coagulation factor 9a
50046904	5	ChEMBL_1548359 (CHEMBL3756143)	Inhibition of human coagulation factor 10a
50046904	6	ChEMBL_1548360 (CHEMBL3756144)	Inhibition of human coagulation factor 12a
50046904	7	ChEMBL_1548361 (CHEMBL3756145)	Inhibition of human trypsin
50046904	8	ChEMBL_1548362 (CHEMBL3756146)	Inhibition of human thrombin
50046904	9	ChEMBL_1548526 (CHEMBL3757028)	Inhibition of human activated protein C
50046904	10	ChEMBL_1548527 (CHEMBL3757029)	Inhibition of human urokinase
50046904	11	ChEMBL_1548528 (CHEMBL3757185)	Inhibition of human tissue plasminogen activator
50046904	12	ChEMBL_1548529 (CHEMBL3757186)	Inhibition of human tissue kallikrein
50046905	1	ChEMBL_1548564 (CHEMBL3757221)	Inhibition of human TRPA1
50046905	2	ChEMBL_1548565 (CHEMBL3757222)	Inhibition of rat TRPA1
50046906	1	ChEMBL_1548581 (CHEMBL3757400)	Inhibition of human ARTD1 by fluorescence analysis
50046906	2	ChEMBL_1548572 (CHEMBL3757229)	Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay
50046906	3	ChEMBL_1548571 (CHEMBL3757228)	Inhibition of human TNKS2 by fluorescence analysis
50046906	4	ChEMBL_1548570 (CHEMBL3757227)	Inhibition of human TNKS1 by fluorescence analysis
50046906	5	ChEMBL_1548582 (CHEMBL3757401)	Inhibition of human ARTD2 by fluorescence analysis
50046906	6	ChEMBL_1548583 (CHEMBL3757402)	Inhibition of human ARTD3 by fluorescence analysis
50046906	7	ChEMBL_1548584 (CHEMBL3757403)	Inhibition of human ARTD4 by fluorescence analysis
50046906	8	ChEMBL_1548585 (CHEMBL3757404)	Inhibition of human ARTD7 by fluorescence analysis
50046906	9	ChEMBL_1548586 (CHEMBL3757405)	Inhibition of human ARTD8 by fluorescence analysis
50046906	10	ChEMBL_1548587 (CHEMBL3757406)	Inhibition of human ARTD10 by fluorescence analysis
50046906	11	ChEMBL_1548588 (CHEMBL3757407)	Inhibition of human ARTD12 by fluorescence analysis
50046907	1	ChEMBL_1548779 (CHEMBL3755180)	Inhibition of mouse GAT2 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting
50046907	2	ChEMBL_1548780 (CHEMBL3755181)	Inhibition of mouse GAT3 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting
50046907	3	ChEMBL_1548777 (CHEMBL3755178)	Inhibition of mouse GAT1 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting
50028232	1	ChEMBL_541323 (CHEMBL1027377)	Inhibition of human telomerase assessed as unincorporated [alpha32P]dGTP
50028232	2	ChEMBL_541324 (CHEMBL1027378)	Inhibition of human 35S-labeled Pot1 binding to human telomeric DNA
50028235	2	ChEMBL_566252 (CHEMBL953555)	Binding affinity to PPARalpha by fluorescence polarization assay
50028235	1	ChEMBL_566253 (CHEMBL953556)	Agonist activity at human PPARalpha ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay
50028235	4	ChEMBL_566255 (CHEMBL953558)	Binding affinity to PPARgamma by fluorescence polarization assay
50028235	3	ChEMBL_566256 (CHEMBL953559)	Agonist activity at human PPARgamma ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay
50028237	2	ChEMBL_566263 (CHEMBL953566)	Inhibition of human ERG by patch-clamp technique
50028237	4	ChEMBL_566271 (CHEMBL953574)	Inhibition of human recombinant muscarinic M1 receptor
50028237	1	ChEMBL_566272 (CHEMBL953575)	Inhibition of human recombinant muscarinic M2 receptor
50028237	3	ChEMBL_566273 (CHEMBL953576)	Inhibition of human recombinant muscarinic M3 receptor
50028237	5	ChEMBL_566544 (CHEMBL955130)	Inhibition of human recombinant muscarinic M4 receptor
50028237	6	ChEMBL_566545 (CHEMBL964188)	Inhibition of human recombinant muscarinic M5 receptor
50028238	3	ChEMBL_566574 (CHEMBL964173)	Inhibition of human CYP1A2 by microplate-based direct fluorometric assay
50028238	2	ChEMBL_566575 (CHEMBL964174)	Inhibition of human CYP3A4 by microplate-based direct fluorometric assay
50028238	1	ChEMBL_566576 (CHEMBL964175)	Inhibition of human CYP2C19 by microplate-based direct fluorometric assay
50028238	4	ChEMBL_566577 (CHEMBL964176)	Inhibition of human CYP2D6 by microplate-based direct fluorometric assay
50046907	4	ChEMBL_1548778 (CHEMBL3755179)	Inhibition of mouse BGT1 mediated [3]GABA uptake expressed in HEK293 cells after 3 mins by scintillation counting
50028244	12	ChEMBL_566606 (CHEMBL964945)	Inhibition of EGFR by virtual HTS assay
50028244	14	ChEMBL_566608 (CHEMBL964947)	Inhibition of IGF1R by virtual HTS assay
50028244	2	ChEMBL_566618 (CHEMBL960144)	Inhibition of ErbB2 by virtual HTS assay
50028244	10	ChEMBL_566616 (CHEMBL960142)	Inhibition of Aurora A by virtual HTS assay
50028244	8	ChEMBL_566614 (CHEMBL960140)	Inhibition of Src by virtual HTS assay
50028244	6	ChEMBL_566612 (CHEMBL964951)	Inhibition of EphB4 by virtual HTS assay
50028244	3	ChEMBL_566611 (CHEMBL964950)	Inhibition of TIE2 by virtual HTS assay
50028244	15	ChEMBL_566609 (CHEMBL964948)	Inhibition of VEGFR2 by virtual HTS assay
50028244	13	ChEMBL_566607 (CHEMBL964946)	Inhibition of PDGFRbeta by virtual HTS assay
50028244	5	ChEMBL_566613 (CHEMBL964952)	Inhibition of FAK by virtual HTS assay
50028244	1	ChEMBL_566619 (CHEMBL960145)	Inhibition of CDK4 by virtual HTS assay
50046908	1	ChEMBL_1548801 (CHEMBL3755202)	Activation of PPAR (unknown origin) transactivation expressed in human HepG2 cells assessed as increase in transcriptional activity after 20 hrs by PPRE-luciferase reporter gene assay
50046909	1	ChEMBL_1548830 (CHEMBL3755386)	Binding affinity to GST-tagged human PPAR-gamma receptor by FRET assay
50046910	1	ChEMBL_1548831 (CHEMBL3755387)	Inhibition of HIV1 reverse transcriptase
50046911	1	ChEMBL_1549002 (CHEMBL3756437)	Inhibition of recombinant perforin (unknown origin) mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubation with Jurkat cells at 37 degC for 4 hrs assessed as 51Cr release by gamma counting analysis
50028244	11	ChEMBL_566605 (CHEMBL964944)	Inhibition of CDK2 by virtual HTS assay
50028247	5	ChEMBL_566634 (CHEMBL960948)	Inhibition of GST-fused recombinant c-Met catalytic domain expressed in baculovirus-infected Trichoplusia ni Hi5 cells after 30 mins by DELFIA assay
50028247	2	ChEMBL_566632 (CHEMBL960946)	Inhibition of GST-fused recombinant VGFR2 catalytic domain expressed in baculovirus-infected Sf9 cells after 10 mins by DELFIA assay
50028247	3	ChEMBL_566627 (CHEMBL960941)	Inhibition of c-Met-mediated migration in HGF-stimulated human A549 cells by wound healing assay
50028247	4	ChEMBL_566626 (CHEMBL960940)	Inhibition of c-Met-mediated scattering in HGF-stimulated human DU145 cells
50028247	6	ChEMBL_566630 (CHEMBL960944)	Inhibition of TPR-fused Met phosphorylation expressed in human 293T cells by ELISA
50028247	7	ChEMBL_566631 (CHEMBL960945)	Inhibition of c-Met
50028247	1	ChEMBL_566633 (CHEMBL960947)	Inhibition of VEGFR2
50028250	1	ChEMBL_563729 (CHEMBL992693)	Inhibition of human soluble epoxide hydrolase by fluorescence assay
50046912	1	ChEMBL_1549029 (CHEMBL3756648)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50028257	2	ChEMBL_566942 (CHEMBL964125)	Inhibition of human A-FABP by fluorescence polarization assay
50028257	1	ChEMBL_566943 (CHEMBL964126)	Inhibition of human H-FABP by fluorescence polarization assay
50046912	2	ChEMBL_1549028 (CHEMBL3756647)	Displacement of [3H]DPDPE from human delta opioid receptor
50028257	4	ChEMBL_566944 (CHEMBL964127)	Inhibition of human A-FABP by scintillation proximity assay
50028257	3	ChEMBL_566945 (CHEMBL964128)	Inhibition of human H-FABP by scintillation proximity assay
50028259	1	ChEMBL_562295 (CHEMBL1014486)	Inhibition of GST fused Bcl-2 binding to biotinylated 16 mer BH3 peptide by HTRF-LANCE assay
50028260	1	ChEMBL_541511 (CHEMBL1022216)	Inhibition of recombinant CDK5/p25 expressed in Escherichia coli
50028260	2	ChEMBL_541512 (CHEMBL1022217)	Inhibition of GSK3-beta expressed in Sf9 cells
50028261	3	ChEMBL_563761 (CHEMBL993524)	Inhibition of GST-tagged human PTP1B
50028261	4	ChEMBL_563762 (CHEMBL993525)	Inhibition of GST-tagged human LMW PTP1B IF1 isoform
50028261	1	ChEMBL_563763 (CHEMBL993526)	Inhibition of GST-tagged human LMW PTP1B IF1 isoform
50028261	2	ChEMBL_563764 (CHEMBL993527)	Inhibition of Saccharomyces cerevisiae Ltp1
50028262	2	ChEMBL_563770 (CHEMBL993533)	Displacement of [3H]spiperone from human dopamine D3 receptor
50028262	1	ChEMBL_563771 (CHEMBL993534)	Displacement of [3H]ketanserin from 5HT2A receptor
50046912	3	ChEMBL_1549025 (CHEMBL3756644)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric stimulation-induced contraction
50046912	4	ChEMBL_1549023 (CHEMBL3756642)	Agonist activity at mu opioid receptor in guinea pig isolated ileum assessed as inhibition of electric stimulation-induced contraction
50046913	1	ChEMBL_1549259 (CHEMBL3757837)	Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes
50046913	2	ChEMBL_1549260 (CHEMBL3757838)	Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes
50046913	3	ChEMBL_1549261 (CHEMBL3757839)	Antagonist activity at human A2B adenosine receptor expressed in CHO cell membranes assessed as inhibition of NECA stimulated adenylyl cyclase activity
50028272	1	ChEMBL_541757 (CHEMBL1023119)	Inhibition of mouse DNA polymerase iota
50028275	1	ChEMBL_563949 (CHEMBL965857)	Inhibition of rat liver FAS by Coomassie blue staining
50028279	2	ChEMBL_542408 (CHEMBL1010645)	Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain by fluorescence anisotropy competition assay
50028279	1	ChEMBL_542407 (CHEMBL1010644)	Binding affinity to Shc Src homology 2 domain by fluorescence anisotropy
50028281	1	ChEMBL_562316 (CHEMBL1015290)	Binding affinity to human CB2 receptor transfected in HEK293 cells
50028281	2	ChEMBL_562315 (CHEMBL1015289)	Binding affinity to human CB1 receptor transfected in HEK293 cells
50028283	1	ChEMBL_563975 (CHEMBL955235)	Binding affinity to iNOS with heme domain construct assessed as spectral binding constant by spectral assay
50028284	1	ChEMBL_542426 (CHEMBL1010663)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting
50028284	3	ChEMBL_542424 (CHEMBL1010661)	Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting
50028284	2	ChEMBL_542425 (CHEMBL1010662)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting
50028286	3	ChEMBL_562361 (CHEMBL1017975)	Antagonist activity at rat P2X3 receptor expressed in CHO cells by FLIPR
50028286	2	ChEMBL_562362 (CHEMBL1017976)	Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR
50028286	1	ChEMBL_562363 (CHEMBL1017977)	Antagonist activity at P2X1 receptor up to 10 uM
50028286	5	ChEMBL_562365 (CHEMBL1017979)	Antagonist activity at P2X4 receptor up to 10 uM
50028286	6	ChEMBL_562366 (CHEMBL1017980)	Antagonist activity at P2X5 receptor up to 10 uM
50028288	1	ChEMBL_565943 (CHEMBL960838)	Inhibition of P2X1 receptor
50028288	3	ChEMBL_565945 (CHEMBL960840)	Inhibition of P2X4 receptor
50028288	4	ChEMBL_565946 (CHEMBL960841)	Inhibition of P2X5 receptor
50028291	4	ChEMBL_499502 (CHEMBL1021994)	Inhibition of cathepsin K
50028291	5	ChEMBL_499503 (CHEMBL1021995)	Inhibition of cathepsin S
50028291	3	ChEMBL_499501 (CHEMBL1021993)	Inhibition of cathepsin L
50028291	2	ChEMBL_499500 (CHEMBL1021992)	Inhibition of cathepsin B
50028291	6	ChEMBL_499505 (CHEMBL1021997)	Inhibition of human ERG
50028291	7	ChEMBL_499506 (CHEMBL1021998)	Inhibition of CYP1A2
50028291	8	ChEMBL_499507 (CHEMBL1021999)	Inhibition of CYP2C9
50028291	9	ChEMBL_499508 (CHEMBL1022000)	Inhibition of CYP2C19
50028291	10	ChEMBL_499509 (CHEMBL1022001)	Inhibition of CYP2D6
50028291	1	ChEMBL_499499 (CHEMBL1021991)	Inhibition of CYP3A4
50028292	1	ChEMBL_565970 (CHEMBL963244)	Inhibition of human ERG
50028292	3	ChEMBL_565972 (CHEMBL963246)	Agonist activity at mu opioid receptor
50046913	4	ChEMBL_1549264 (CHEMBL3757842)	Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by scintillation counter
50028293	3	ChEMBL_542429 (CHEMBL1010666)	Inhibition of Trypanosoma brucei G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burke plot
50028293	1	ChEMBL_542430 (CHEMBL1010667)	Inhibition of Trypanosoma brucei G6PDH using NADP as substrate by Lineweaver-Burke plot
50028293	2	ChEMBL_542431 (CHEMBL1011499)	Inhibition of human G6PDH using glucose-6-phosphate as substrate by Lineweaver-Burke plot
50028293	4	ChEMBL_542432 (CHEMBL1011500)	Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burke plot
50028296	3	ChEMBL_564151 (CHEMBL956071)	Inhibition of rabbit F10a
50028296	2	ChEMBL_564153 (CHEMBL956073)	Inhibition of rat F10a
50028296	1	ChEMBL_563985 (CHEMBL956028)	Inhibition of human Factor-10a
50028297	2	ChEMBL_564154 (CHEMBL956074)	Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate
50028297	1	ChEMBL_564155 (CHEMBL956075)	Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate
50046913	5	ChEMBL_1549265 (CHEMBL3757843)	Displacement of [3H]SCH58261 from human A2A receptor expressed in CHO cells by scintillation counter
50046913	6	ChEMBL_1549258 (CHEMBL3757836)	Displacement of [3H]CCPA from human A1 adenosine receptor expressed in CHO cell membranes
50028300	3	ChEMBL_565979 (CHEMBL963253)	Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane
50028300	2	ChEMBL_565980 (CHEMBL964079)	Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay
50028300	1	ChEMBL_565982 (CHEMBL964081)	Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay
50046913	7	ChEMBL_1549266 (CHEMBL3757844)	Displacement of [3H]DPCPX from human A2B receptor expressed in CHO cells by scintillation counter
50046913	8	ChEMBL_1549267 (CHEMBL3757845)	Displacement of [3H]MRE3008-F20 from human A3 receptor expressed in CHO cells by scintillation counter
50046913	9	ChEMBL_1549268 (CHEMBL3757846)	Displacement of [3H]ZM-241385 from human A2A receptor expressed in CHO cells by scintillation counter
50046913	10	ChEMBL_1549269 (CHEMBL3757847)	Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells by scintillation counter
50028307	1	ChEMBL_566297 (CHEMBL956807)	Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay
50028307	2	ChEMBL_566299 (CHEMBL956809)	Inhibition of COX2
50028308	1	ChEMBL_566300 (CHEMBL956810)	Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in thymidine kinase-deficient mouse LM cells
50028308	2	ChEMBL_566306 (CHEMBL956816)	Antagonist activity at human recombinant neuropeptide Y5 receptor expressed in thymidine kinase-deficient mouse LM cells assessed as inhibition of neuropeptide-induced increase in intracellular calcium level
50028309	1	ChEMBL_566316 (CHEMBL956826)	Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology
50028309	2	ChEMBL_566314 (CHEMBL956824)	Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay
50028310	1	ChEMBL_566336 (CHEMBL956846)	Displacement of [125I]MIP-1beta from CCR5 expressed in CHO cell membrane
50028313	1	ChEMBL_542641 (CHEMBL1015030)	Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles in presence of buffer
50028313	2	ChEMBL_542642 (CHEMBL1015031)	Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles in presence of human serum
50028313	3	ChEMBL_542643 (CHEMBL1015032)	Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL donar particles to LDL acceptor particles
50028313	4	ChEMBL_542644 (CHEMBL1015033)	Inhibition of human plasma-derived CETP activity by scintillation proximity assay
50028313	5	ChEMBL_542645 (CHEMBL1015034)	Inhibition of CETP-mediated transfer of [3H]cholesteryl ester from HDL in human plasma after 18 hrs
50028313	6	ChEMBL_542648 (CHEMBL1015037)	Inhibition of CETP-mediated transfer of cholesteryl ester to LDL/VLDL in human plasma by Roar assay
50028314	1	ChEMBL_542684 (CHEMBL1015937)	Binding affinity to human recombinant NTS1 in HEK293T cells by competitive binding assay
50028314	2	ChEMBL_542685 (CHEMBL1015938)	Agonist activity at human recombinant NTS1 receptor expressed in HEK293 cells assessed as stimulation of Ca2+ mobilization
50028315	3	ChEMBL_566670 (CHEMBL960984)	Inhibition of CCR5
50028315	2	ChEMBL_566658 (CHEMBL960972)	Displacement of [125I]hMCP1 from human CCR2 receptor expressed in CHO cells
50028315	1	ChEMBL_566656 (CHEMBL960970)	Antagonist activity at human CCR2 receptor expressed in CHO cells by chemotaxis assay
50028317	1	ChEMBL_542693 (CHEMBL1015946)	Binding affinity to wild type EGFR
50028319	1	ChEMBL_542857 (CHEMBL1022134)	Inhibition of human recombinant CYP3A4
50046913	11	ChEMBL_1549257 (CHEMBL3757835)	Displacement of [3H]ZM-241385 from human A2B receptor expressed in HEK-293 cell membranes
50028320	5	ChEMBL_542870 (CHEMBL1022147)	Binding affinity to human androgen receptor
50028320	7	ChEMBL_542869 (CHEMBL1022146)	Binding affinity to human ERbeta
50028320	1	ChEMBL_542868 (CHEMBL1022145)	Binding affinity to human ERalpha
50028320	3	ChEMBL_542867 (CHEMBL1022144)	Binding affinity to human glucocorticoid receptor
50028320	2	ChEMBL_542872 (CHEMBL1022149)	Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA
50028320	6	ChEMBL_542871 (CHEMBL1022148)	Binding affinity to human progesterone receptor
50028320	4	ChEMBL_542877 (CHEMBL1010700)	Transrepression activity at GR in human SW1353 cells assessed as suppression of NFkappaB-induced IL8 production
50028321	1	ChEMBL_566709 (CHEMBL961701)	Binding affinity to sigma 1 receptor
50028326	1	ChEMBL_567024 (CHEMBL1029921)	Displacement of [125I]PYY from human recombinant Y5 receptor expressed in mouse LMtk cells
50046914	1	ChEMBL_1549481 (CHEMBL3755807)	Displacement of [3H]histamine from human histamine 4 receptor expressed in Sf9 cell membranes by liquid scintillation counting
50046914	2	ChEMBL_1549480 (CHEMBL3755806)	Displacement of [3H]mepyramine from human histamine 1 receptor expressed in Sf9 cell membranes by liquid scintillation counting
50028328	1	ChEMBL_567040 (CHEMBL1029937)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release
50028328	2	ChEMBL_567044 (CHEMBL1029952)	Displacement of [3H]CP-55940 form human CB2 receptor transfected in HEK cells
50028328	3	ChEMBL_567045 (CHEMBL1029953)	Displacement of [3H]Win55212 form human CB2 receptor transfected in HEK cells
50046914	3	ChEMBL_1549482 (CHEMBL3755808)	Displacement of [3H]UR-DE257 from human histamine 2 receptor expressed in Sf9 cell membranes by liquid scintillation counting
50046914	4	ChEMBL_1549483 (CHEMBL3755809)	Displacement of [3H]Nalpha-methylhistamine from human histamine 3 receptor expressed in Sf9 cell membranes by liquid scintillation counting
50046914	5	ChEMBL_1549484 (CHEMBL3755810)	Antagonist activity at human histamine 4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 assessed as [35S]GTPgammaS binding by scintillation counting
50028337	1	ChEMBL_543092 (CHEMBL1010741)	Inhibition of rat liver PARP1 by scintillation counting
50046914	6	ChEMBL_1549486 (CHEMBL3755812)	Displacement of [3H]histamine from human histamine 4 receptor expressed in HEK293T cell membranes incubated for 1 hr by radioligand binding assay
50046914	7	ChEMBL_1549487 (CHEMBL3755813)	Binding affinity to histamine 4 receptor (unknown origin)
50046915	1	ChEMBL_1549500 (CHEMBL3755826)	Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation
50046915	2	ChEMBL_1549502 (CHEMBL3755828)	Inhibition of PI3Kgamma (unknown origin) after 4 hrs
50028338	2	ChEMBL_562396 (CHEMBL1018829)	Antagonist activity at human ITK expressed in BTK deficient DT40 cells assessed as inhibition of B cell receptor-stimulated calcium influx
50046916	1	ChEMBL_1549745 (CHEMBL3757301)	Displacement of europium-labeled 2f-LIGRLO-NH2 from human PAR2 expressed in CHO cells after 1 to 2 hrs
50046916	2	ChEMBL_1549740 (CHEMBL3757296)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced ca2+ release preincubated for 15 mins measured after 1 hr by FLIPR assay
50046916	3	ChEMBL_1549738 (CHEMBL3757294)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced ca2+ release preincubated for 15 mins measured after 1 hr by FLIPR assay
50046917	1	ChEMBL_1549763 (CHEMBL3757319)	Agonist activity at human EP4 receptor
50046917	2	ChEMBL_1549764 (CHEMBL3757320)	Binding affinity to human EP1 receptor
50046917	3	ChEMBL_1549761 (CHEMBL3757317)	Agonist activity at human EP2 receptor
50046917	4	ChEMBL_1549762 (CHEMBL3757318)	Agonist activity at human EP3 receptor
50028340	1	ChEMBL_562430 (CHEMBL1021502)	Inhibition of CYP1A2 in human liver microsomes
50028340	2	ChEMBL_562431 (CHEMBL1021503)	Inhibition of CYP3A4 in human liver microsomes
50028342	3	ChEMBL_562452 (CHEMBL1010955)	Inhibition of Delta-9-desaturase in human HepG2 cells
50028342	1	ChEMBL_562700 (CHEMBL1012735)	Inhibition of rat microsomal Delta-5-desaturase
50028342	2	ChEMBL_562450 (CHEMBL1010953)	Inhibition of rat microsomal Delta-6-desaturase
50028344	1	ChEMBL_564355 (CHEMBL957657)	Inhibition of Bacillus anthracis NAD synthetase
50028348	1	ChEMBL_564380 (CHEMBL962375)	Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting
50028349	1	ChEMBL_566045 (CHEMBL954310)	Inhibition of uPA
50028349	2	ChEMBL_566046 (CHEMBL954311)	Inhibition of plasmin
50028349	3	ChEMBL_566047 (CHEMBL954312)	Inhibition of matriptase
50028349	4	ChEMBL_566048 (CHEMBL954313)	Inhibition of factor 10a
50028349	5	ChEMBL_566049 (CHEMBL954314)	Inhibition of thrombin
50028350	1	ChEMBL_564385 (CHEMBL962380)	Binding affinity to CB2 receptor
50028350	2	ChEMBL_564384 (CHEMBL962379)	Binding affinity to CB1 receptor
50028355	2	ChEMBL_566056 (CHEMBL954321)	Displacement of [125I]-(D-Trp6)-GnRH from rat GnRH receptor
50028355	1	ChEMBL_566054 (CHEMBL954319)	Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor
50028355	3	ChEMBL_566078 (CHEMBL954343)	Antagonist activity at human recombinant GnRH receptor expressed in HEK293 cells assessed as reduction in (D-Trp6)-GnRH-stimulated IP production by whole cell assay
50028364	4	ChEMBL_543312 (CHEMBL1019449)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding
50028364	1	ChEMBL_543310 (CHEMBL1019447)	Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding
50028364	2	ChEMBL_543309 (CHEMBL1019446)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter
50028364	3	ChEMBL_543308 (CHEMBL1019445)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter
50028365	1	ChEMBL_543317 (CHEMBL1022155)	Inhibition of p38alpha MAPK by cell-free enzyme immunosorbent assay
50046918	1	ChEMBL_1549942 (CHEMBL3755089)	Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor
50046918	2	ChEMBL_1549945 (CHEMBL3755092)	Binding affinity to recombinant human H3 receptor
50028367	1	ChEMBL_499518 (CHEMBL1022010)	Inhibition of recombinant Syk
50028368	1	ChEMBL_566365 (CHEMBL959324)	Inhibition of human topoisomerase 1
50046918	3	ChEMBL_1549946 (CHEMBL3755093)	Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay
50046918	4	ChEMBL_1549949 (CHEMBL3755247)	Inhibition of human CYP3A4 after 2 mins by LC-MS/MS analysis
50046918	5	ChEMBL_1549950 (CHEMBL3755248)	Inhibition of human CYP2D6 after 12 mins by LC-MS/MS analysis
50046919	1	ChEBML_1549973	Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate
50028373	3	ChEMBL_543606 (CHEMBL1011631)	Inhibition of CYP1A2
50028373	2	ChEMBL_543607 (CHEMBL1011632)	Inhibition of CYP2C9
50028373	5	ChEMBL_543608 (CHEMBL1011633)	Inhibition of CYP2C19
50028373	4	ChEMBL_543609 (CHEMBL1011634)	Inhibition of CYP2D6
50028373	1	ChEMBL_543610 (CHEMBL1011635)	Inhibition of CYP3A4
50046875	11	ChEMBL_1549419 (CHEMBL3755426)	Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay
50028376	1	ChEMBL_564425 (CHEMBL964230)	Inhibition of human MMP1 catalytic domain by fluorescent substrate assay
50028376	2	ChEMBL_564426 (CHEMBL964231)	Inhibition of human MMP2 catalytic domain by fluorescent substrate assay
50028376	3	ChEMBL_564427 (CHEMBL964232)	Inhibition of human MMP3 catalytic domain by fluorescent substrate assay
50028378	2	ChEMBL_564593 (CHEMBL964033)	Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells
50028378	1	ChEMBL_564596 (CHEMBL964036)	Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex
50028379	3	ChEMBL_541591 (CHEMBL1011680)	Inhibition of human DPP8
50028379	4	ChEMBL_541592 (CHEMBL1011681)	Inhibition of human DPP2
50046875	9	ChEMBL_1549422 (CHEMBL3755429)	Inhibition of recombinant human MAP4K4 catalytic domain in presence of 1 mM ATP by FRET assay
50046920	1	ChEMBL_1549470 (CHEMBL3755621)	Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry
50046920	2	ChEMBL_1549471 (CHEMBL3755622)	Inhibition of human DHFR using 45 uM DHF as substrate by spectrophotometry
50028379	1	ChEMBL_541609 (CHEMBL1011699)	Inhibition of human DPP4 in presence of 50% human serum
50046921	1	ChEMBL_1549645 (CHEMBL3756705)	Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 100% human serum
50028379	2	ChEMBL_541590 (CHEMBL1011679)	Inhibition of human DPP4
50046921	2	ChEMBL_1549475 (CHEMBL3755626)	Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis in presence of 0.01% human serum albumin
50028381	3	ChEMBL_566455 (CHEMBL958322)	Agonist activity at LXRalpha ligand binding domain by FRET based SRC1 recruitment assay
50046921	3	ChEMBL_1549474 (CHEMBL3755625)	Partial agonist activity at human GPR40 expressed in CHO cells measured over 20 secs interval by luminometric analysis
50046921	4	ChEMBL_1549671 (CHEMBL3756897)	Agonist activity at rat GPR40 in presence of 0.01% human serum albumin
50046921	5	ChEMBL_1549675 (CHEMBL3756901)	Agonist activity at cynomolgus monkey GPR40 in presence of 0.01% human serum albumin relative to AMG 837
50046922	1	ChEMBL_1549894 (CHEMBL3758043)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced inhibition of chemotaxis
50046922	2	ChEMBL_1549893 (CHEMBL3758042)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced inhibition of calcium flux
50046922	3	ChEMBL_1549892 (CHEMBL3758041)	Displacement of [125I]MCP-1 from CCR2 in human PBMC by radioligand displacement assay
50028385	2	ChEMBL_566795 (CHEMBL957604)	Inhibition of human PLD1 in Calu1 cells
50028385	1	ChEMBL_566796 (CHEMBL957605)	Inhibition of GFP-labelled human PLD2 HEK293 cells
50028386	9	ChEMBL_564615 (CHEMBL964055)	Inhibition of HDAC2
50028386	6	ChEMBL_564613 (CHEMBL964053)	Inhibition of HDAC3
50028386	1	ChEMBL_564618 (CHEMBL964058)	Inhibition of HDAC4
50028386	5	ChEMBL_564620 (CHEMBL964060)	Inhibition of HDAC6
50028386	3	ChEMBL_564621 (CHEMBL964061)	Inhibition of HDAC7
50028386	4	ChEMBL_564622 (CHEMBL964062)	Inhibition of HDAC8
50028386	8	ChEMBL_564623 (CHEMBL964063)	Inhibition of HDAC11
50028386	7	ChEMBL_564614 (CHEMBL964054)	Inhibition of HDAC1
50028389	1	ChEMBL_564977 (CHEMBL957512)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assay
50028389	2	ChEMBL_564978 (CHEMBL957513)	Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assay
50028389	3	ChEMBL_564979 (CHEMBL957514)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as nitric oxide formation by hemoglobin capture assay
50028392	4	ChEMBL_567057 (CHEMBL1030736)	Binding affinity to human ERG
50028392	3	ChEMBL_567049 (CHEMBL1029957)	Displacement of [3H]mesulergine form human recombinant 5HT2C receptor expressed in mouse Swiss 3T3 cells by scintillation proximity assay
50028392	5	ChEMBL_567058 (CHEMBL1030737)	Agonist activity at human 5HT2A receptor expressed in mouse Swiss 3T3 cells by FLIPR assay
50028392	1	ChEMBL_566811 (CHEMBL957620)	Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as calcium mobilization by FLIPR assay
50028393	1	ChEMBL_567069 (CHEMBL1030748)	Inhibition of GST-tagged human c-Met expressed in SF9 cells
50028397	1	ChEMBL_564984 (CHEMBL957519)	Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry
50028397	2	ChEMBL_564985 (CHEMBL957520)	Displacement of [3H]WIN-55212-2 from human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
50028399	2	ChEMBL_567091 (CHEMBL1030770)	Inhibition of DPP4
50028399	1	ChEMBL_567092 (CHEMBL1030771)	Inhibition of DPP8
50028399	3	ChEMBL_567093 (CHEMBL1030772)	Inhibition of DPP2
50046923	1	ChEMBL_1549929 (CHEMBL3755076)	Competitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followed by substrate addition by potentiometric titration method
50046923	2	ChEMBL_1549931 (CHEMBL3755078)	Noncompetitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followed by substrate addition by potentiometric titration method
50046923	3	ChEMBL_1549932 (CHEMBL3755079)	Competitive inhibition of Torpedo californica AChE using ATCh as substrate preincubated for 90 mins followed by substrate addition by potentiometric titration method
50046923	4	ChEMBL_1549933 (CHEMBL3755080)	Noncompetitive inhibition of Torpedo californica AChE using ATCh as substrate preincubated for 90 mins followed by substrate addition by potentiometric titration method
50046923	5	ChEMBL_1549912 (CHEMBL3758061)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50046923	6	ChEMBL_1549913 (CHEMBL3755060)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50046923	7	ChEMBL_1549917 (CHEMBL3755064)	Mixed-type inhibition of recombinant human AChE using acetylthiocholine iodide as substrate assessed as enzyme-inhibitor complex by Lineweaver-Burk double reciprocal plot method
50046923	8	ChEMBL_1549918 (CHEMBL3755065)	Mixed-type inhibition of recombinant human AChE using acetylthiocholine iodide as substrate assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk double reciprocal plot method
50046923	9	ChEMBL_1549920 (CHEMBL3755067)	Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET assay
50046923	10	ChEMBL_1549921 (CHEMBL3755068)	Inhibition of recombinant human BACE-1 using fluorogenic substrate incubated for 30 mins by FRET assay
50046923	11	ChEMBL_1549923 (CHEMBL3755070)	Inhibition of BACE-1 (unknown origin) using Rh-EVNLDAEFK-Quencher as substrate incubated for 60 mins by FRET assay
50046923	12	ChEMBL_1549924 (CHEMBL3755071)	Inhibition of BACE-1 (unknown origin) using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET assay
50046923	13	ChEMBL_1549925 (CHEMBL3755072)	Inhibition of Amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T-based fluorometric assay
50028406	6	ChEMBL_562460 (CHEMBL1010963)	Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor
50028406	3	ChEMBL_562458 (CHEMBL1010961)	Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor
50028406	2	ChEMBL_562459 (CHEMBL1010962)	Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated [3H]IP reduction
50028406	5	ChEMBL_562461 (CHEMBL1010964)	Antagonist activity at rat recombinant GnRH receptor assessed as inhibition of [D-Trp6]-GnRH-stimulated LH release from rat pituitary cells
50028406	1	ChEMBL_562477 (CHEMBL1010980)	Inhibition of human neurokinin NK2 receptor
50028406	4	ChEMBL_562478 (CHEMBL1010981)	Inhibition of human histamine H2 receptor
50046924	1	ChEMBL_1550081 (CHEMBL3756027)	Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method
50028412	1	ChEMBL_562514 (CHEMBL1014506)	Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus
50028412	2	ChEMBL_562513 (CHEMBL1014505)	Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus
50028418	1	ChEMBL_565039 (CHEMBL959182)	Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells co-transfected with Gal4-DBD assessed as transcriptional activation by Gal4 response element-driven luciferase reporter gene assay
50028418	3	ChEMBL_565040 (CHEMBL959183)	Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells co-transfected with Gal4-DBD assessed as transcriptional activation by Gal4 response element-driven luciferase reporter gene assay
50028418	2	ChEMBL_565041 (CHEMBL959184)	Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells co-transfected with Gal4-DBD assessed as transcriptional activation by Gal4 response element-driven luciferase reporter gene assay
50028419	11	ChEMBL_499526 (CHEMBL1022018)	Inhibition of human ERG by patch-clamp technique
50028419	13	ChEMBL_499548 (CHEMBL1010596)	Inhibition of human plasma DPP4
50028419	10	ChEMBL_499525 (CHEMBL1022017)	Inhibition of human recombinant DPP2
50028419	12	ChEMBL_499523 (CHEMBL1022015)	Inhibition of human recombinant DPP8
50028419	14	ChEMBL_499548 (CHEMBL1010596)	Inhibition of human plasma DPP4
50028419	15	ChEMBL_499549 (CHEMBL1010597)	Inhibition of rat plasma DPP4
50028419	2	ChEMBL_499564 (CHEMBL1025432)	Inhibition of CYP3A4
50028419	1	ChEMBL_499563 (CHEMBL1025431)	Inhibition of CYP2D6
50028419	4	ChEMBL_499562 (CHEMBL1025430)	Inhibition of CYP2C19
50028419	7	ChEMBL_499560 (CHEMBL1010608)	Inhibition of CYP1A2
50028419	3	ChEMBL_499561 (CHEMBL1025429)	Inhibition of CYP2C9
50028419	16	ChEMBL_499554 (CHEMBL1010602)	Inhibition of POP
50028419	6	ChEMBL_499551 (CHEMBL1010599)	Inhibition of human DPP9
50028419	8	ChEMBL_499552 (CHEMBL1010600)	Inhibition of APP in human leukocytes
50028419	5	ChEMBL_499550 (CHEMBL1010598)	Inhibition of DPP3 in human erythrocytes
50046924	2	ChEMBL_1550084 (CHEMBL3756030)	Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by scintillation counting method
50046924	3	ChEMBL_1550085 (CHEMBL3756031)	Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by scintillation counting method
50046924	4	ChEMBL_1550086 (CHEMBL3756032)	Displacement of [125I]AB-MECA at rat A3 receptor expressed in HEK293 cells after 60 mins by scintillation counting method
50046924	5	ChEMBL_1550080 (CHEMBL3756026)	Displacement of [3H]ZM241385 at human A2A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method
50046924	6	ChEMBL_1550077 (CHEMBL3756023)	Displacement of [3H]DPCPX at human A1 receptor expressed in CHO cell membrane after 120 mins by scintillation counting method
50046925	1	ChEMBL_1550088 (CHEMBL3756034)	Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry
50046925	2	ChEMBL_1550087 (CHEMBL3756033)	Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry
50028427	1	ChEMBL_545452 (CHEMBL1032475)	Inhibition of cloned Kv1.3 channel expressed in mammalian cells by whole cell patch clamp assay
50028427	2	ChEMBL_545455 (CHEMBL1032478)	Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay
50028427	3	ChEMBL_545457 (CHEMBL1032480)	Inhibition of IK1
50028428	1	ChEMBL_564819 (CHEMBL954285)	Inhibition of PTP1B
50028430	5	ChEMBL_564831 (CHEMBL954297)	Displacement of [3H]granisetron from human 5HT3 receptor expressed in HEK293 cells
50028430	4	ChEMBL_564827 (CHEMBL954293)	Inhibition of radiolabeled serotonin reuptake at human SERT expressed in HEK293 cells
50028430	3	ChEMBL_564828 (CHEMBL954294)	Inhibition of radiolabeled noradrenaline reuptake at human NET expressed in HEK293 cells
50028430	1	ChEMBL_564829 (CHEMBL954295)	Inhibition of radiolabeled dopamine reuptake at human DAT expressed in HEK293 cells
50028430	2	ChEMBL_564830 (CHEMBL954296)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50028431	4	ChEMBL_499713 (CHEMBL980648)	Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
50028431	6	ChEMBL_499714 (CHEMBL980649)	Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor
50028431	5	ChEMBL_499715 (CHEMBL980650)	Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor
50028431	1	ChEMBL_499717 (CHEMBL980652)	Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
50028431	3	ChEMBL_499718 (CHEMBL968691)	Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgammaS binding
50028431	2	ChEMBL_499716 (CHEMBL980651)	Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor
50028432	1	ChEMBL_564832 (CHEMBL954298)	Inhibition of Dyrk1 autophosphorylation
50046925	3	ChEMBL_1550089 (CHEMBL3756035)	Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobenzalamide as substrate by spectrofluorometry
50046925	4	ChEMBL_1550090 (CHEMBL3756036)	Inhibition of Pseudomonas aeruginosa pseudolysin pretreated with compound for 1 hr followed by the addition of 1.73 uM bradykinin like substrate by spectrofluorometry
50046925	5	ChEMBL_1550091 (CHEMBL3756037)	Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-nitrobenzalamide as substrate by spectrofluorometry
50046925	6	ChEMBL_1550092 (CHEMBL3756038)	Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrate by spectrofluorometry assay
50046925	7	ChEMBL_1550093 (CHEMBL3756039)	Inhibition of recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry
50046926	1	ChEMBL_1550096 (CHEMBL3756042)	Inhibition of HDAC in human LoVo/DX cells using Boc-Lys(Ac)-AMC as substrate assessed as release of AMC pre-incubated for 15 mins followed by substrate addition measured after 3 hrs by indirect spectrofluorometric assay
50046927	1	ChEMBL_1550107 (CHEMBL3756249)	Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis
50046927	2	ChEMBL_1550108 (CHEMBL3756250)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs
50046927	3	ChEMBL_1550111 (CHEMBL3756253)	Inhibition of human IDO1 by Bridge-IT Tryptophan fluorescence assay
50046927	4	ChEMBL_1547128 (CHEMBL3755863)	Inhibition of recombinant human IDO1 expressed in M15(pREP4) cells using L-tryptophan as substrate assessed as conversion of N-formylkynurenine to kynurenine preincubated for 5 mins followed by substrate addition measured after 15 mins by spectrophotometric analysis
50046919	9	ChEMBL_1549973 (CHEMBL3755271)	Inhibition of trypsin (unknown origin) using H-D-Phe-Pip-Arg-pNA as substrate
50046919	3	ChEMBL_1549971 (CHEMBL3755269)	Inhibition of plasmin (unknown origin) using H-D-Val-Leu-Lys-pNA as substrate
50046919	8	ChEMBL_1549977 (CHEMBL3755275)	Inhibition of human plasmin assessed as inhibition of amidolysis in presence of fibrinogen
50046919	6	ChEMBL_1549975 (CHEMBL3755273)	Inhibition of human plasmin assessed as inhibition of fibrinolysis in presence of fibrinogen
50046919	2	ChEMBL_1549972 (CHEMBL3755270)	Inhibition of urokinase (unknown origin) using Pyr-Glu-Gly-Arg-pNA as substrate
50046919	5	ChEMBL_1549976 (CHEMBL3755274)	Inhibition of human plasmin assessed as inhibition of fibrinogenolysis in presence of fibrinogen
50046919	7	ChEMBL_1549978 (CHEMBL3755276)	Inhibition of human plasmin
50046919	4	ChEMBL_1549974 (CHEMBL3755272)	Inhibition of plasmin (unknown origin)
50046928	1	ChEMBL_1549980 (CHEMBL3755278)	Inhibition of ERK2 (unknown origin) by ELISA
50046929	1	ChEMBL_1549983 (CHEMBL3755281)	Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured after 5 mins by Ellman's method
50046929	2	ChEMBL_1549984 (CHEMBL3755282)	Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 mins by Ellman's method
50046929	3	ChEMBL_1549986 (CHEMBL3755284)	Mixed inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method
50046929	4	ChEMBL_1549987 (CHEMBL3755285)	Inhibition of human acetylcholine esterase preincubated for 10 mins followed by the addition of 550 uM of acetylcholine iodide as substrate measured after 20 mins by Ellman's method
50046929	5	ChEMBL_1549993 (CHEMBL3755444)	Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method
50046930	1	ChEBML_1549998	Inhibition of B-Raf V600E mutant (unknown origin) by lantha screen assay
50046931	1	ChEMBL_1547921 (CHEMBL3756998)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50046932	1	ChEBML_1547923	Inhibition of human Nampt using NAM as substrate after 15 mins by fluorometric method
50046933	1	ChEBML_1549108	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50046934	1	ChEBML_1550368	Inhibition of EGFR (unknown origin) by Z -LYTE assay
50046935	1	ChEMBL_1552154 (CHEMBL3760936)	Inhibition of purified human topoisomerase 2-mediated relaxation of supercoiled pBR322 DNA at 50 uM incubated for 30 mins in presence of 1 mM ATP by agarose gel electrophoresis
50046935	2	ChEMBL_1552153 (CHEMBL3760935)	Inhibition of purified human topoisomerase 2-mediated relaxation of supercoiled pBR322 DNA at 50 uM incubated for 30 mins in presence of 4 mM ATP by agarose gel electrophoresis
50046936	1	ChEBML_1552405	Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 mins followed by substrate addition by HPLC-MS analysis
50046937	1	ChEBML_1552370	Binding affinity to alpha3beta4 nACh receptor (unknown origin) expressed in Xenopus oocytes
50046937	2	ChEBML_1552371	Binding affinity to alpha4beta2 nACh receptor (unknown origin) expressed in Xenopus oocytes
50046937	3	ChEBML_1552372	Agonist activity at human alpha7 nACh receptor expressed in rat GH4C1 cells assessed as increase in current amplitudes after 2 to 3 days by patch clamp assay
50046937	4	ChEBML_1552375	Agonist activity at human alpha3beta4 nACh receptor expressed in rat GH4C1 cells assessed as increase in current amplitudes after 2 to 3 days by patch clamp assay
50046937	9	ChEBML_1552364	Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addition by beta counting analysis
50046937	5	ChEBML_1552364	Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addition by beta counting analysis
50046937	6	ChEBML_1552365	Displacement of [3H]-epibatidine from rat alpha4beta2 nACh receptor expressed in rat cortical membrane preincubated for 30 mins followed by radioligand addition by gamma counting analysis
50046938	1	ChEMBL_1551158 (CHEMBL3761484)	Displacement [125I]alpha-bungarotoxin from untagged Aplysia californica AChBP expressed in Sf9 cells by competitive binding assay
50046939	1	ChEMBL_1551159 (CHEMBL3761607)	Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)-oligo(dT) as template/primer and digoxigenin-dUTP/biotin-dUTP/dTTP nucleotides incubated for 1 hr by ELISA
50046940	1	ChEBML_1551177	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	2	ChEBML_1551178	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046941	1	ChEBML_1552279	Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis
50046942	1	ChEBML_1555230	Competitive inhibition of human LDH5 in presence of NADH
50046943	1	ChEBML_1553802	Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assay
50046943	2	ChEBML_1553805	Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis
50046944	9	ChEBML_1555766	Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50046944	6	ChEBML_1555977	Inhibition of CDK2/Cyclin E (unknown origin)
50046944	8	ChEBML_1555953	Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP
50046944	10	ChEBML_1555950	Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50047035	1	ChEMBL_1554489 (CHEMBL3767786)	Inhibition of B-Raf V600E mutant (unknown origin) preincubated for 20 mins followed by addition of 2 microM Biotin-DRGFPRARYRARTTNYNSSRSRFYSGFNSRPRGRVYRGRARATSWYSPY-NH2 as substrate for 3 hrs by flash plate assay
50047035	2	ChEMBL_1554490 (CHEMBL3767787)	Inhibition of B-Raf V600E mutant in human A375 cell line assessed as inhibition of ERK phosphorylation for 3 hrs with compound by ELISA
50047035	3	ChEMBL_1554488 (CHEMBL3767785)	Inhibition of human ERG using tracer red fluorescent probe
50028438	2	ChEMBL_566832 (CHEMBL957641)	Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose
50028438	1	ChEMBL_566834 (CHEMBL957643)	Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose
50028439	1	ChEMBL_566848 (CHEMBL957582)	Inhibition of p38alpha
50028439	2	ChEMBL_566852 (CHEMBL957586)	Inhibition of furin
50028441	9	ChEMBL_566868 (CHEMBL958368)	Displacement of [3H]nisoxetine from NET
50028441	8	ChEMBL_566867 (CHEMBL958367)	Displacement of [3H]citalopram from SERT
50028441	5	ChEMBL_566869 (CHEMBL958369)	Displacement of [3H]WIN-35428 from DAT
50028441	6	ChEMBL_566857 (CHEMBL957591)	Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50028441	1	ChEMBL_566860 (CHEMBL957594)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50028441	7	ChEMBL_566858 (CHEMBL957592)	Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50028441	2	ChEMBL_566865 (CHEMBL958365)	Displacement of [3H]LSD from human 5HT2B receptor
50028441	3	ChEMBL_566866 (CHEMBL958366)	Displacement of [3H]mesulergine from 5HT2C receptor
50028441	4	ChEMBL_566864 (CHEMBL958364)	Displacement of [3H]ketanserin from human 5HT2A receptor
50028442	1	ChEMBL_566880 (CHEMBL958380)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells
50047036	1	ChEMBL_1554499 (CHEMBL3767796)	Inhibition of human Pim1 after 40 mins using [gamma33P]ATP by scintillation counting
50047036	2	ChEMBL_1554502 (CHEMBL3767799)	Inhibition of Pim 1 (unknown origin) after 50 mins by HTRF method
50028449	6	ChEMBL_565649 (CHEMBL959245)	Inhibition of AKT2
50047038	1	ChEMBL_1555118 (CHEMBL3768040)	Inhibition of BRAF (unknown origin)
50047038	2	ChEMBL_1555119 (CHEMBL3768041)	Inhibition of CRAF (unknown origin)
50047038	3	ChEMBL_1555117 (CHEMBL3768039)	Inhibition of BRAF V599E mutant (unknown origin)
50047039	1	ChEMBL_1555122 (CHEMBL3768044)	Inhibition of gp130-IL6/IL-Ralpha interaction in human HepG2 cells assessed as inhibition of IL-6-induced STAT3 activation by luciferase reporter gene assay
50028449	9	ChEMBL_565650 (CHEMBL959246)	Inhibition of AKT3
50028449	2	ChEMBL_565655 (CHEMBL959251)	Inhibition of ROCK1
50028449	1	ChEMBL_565656 (CHEMBL959252)	Inhibition of GSK3-beta
50028449	8	ChEMBL_565657 (CHEMBL959253)	Inhibition of P38alpha
50028449	7	ChEMBL_565658 (CHEMBL959254)	Inhibition of MAPKAPK2
50028449	5	ChEMBL_565659 (CHEMBL959255)	Inhibition of PIM1
50028449	10	ChEMBL_565660 (CHEMBL959256)	Inhibition of EGFR
50028449	11	ChEMBL_565661 (CHEMBL959257)	Inhibition of SYK
50028449	4	ChEMBL_565646 (CHEMBL959242)	Inhibition of AKT1
50047040	1	ChEMBL_1555129 (CHEMBL3768051)	Binding affinity to type-2 angiotensin-2 receptor (unknown origin)
50046945	3	ChEMBL_1555981 (CHEMBL3767489)	Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method
50046945	7	ChEMBL_1555992 (CHEMBL3767656)	Displacement of [Tyrosyl-2,6-3H]-Oxytocin from recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillation counting analysis
50028450	2	ChEMBL_565678 (CHEMBL960036)	Inhibition of human HDAC6
50028450	1	ChEMBL_565679 (CHEMBL960037)	Inhibition of human HDAC7
50028450	10	ChEMBL_565680 (CHEMBL960038)	Inhibition of human HDAC8
50028450	11	ChEMBL_565681 (CHEMBL960039)	Inhibition of human HDAC9
50028450	6	ChEMBL_565682 (CHEMBL960040)	Inhibition of human HDAC10
50028450	8	ChEMBL_565683 (CHEMBL960041)	Inhibition of human HDAC11
50028450	7	ChEMBL_565673 (CHEMBL960031)	Inhibition of human HDAC1
50028450	9	ChEMBL_565674 (CHEMBL960032)	Inhibition of human HDAC2
50028450	5	ChEMBL_565675 (CHEMBL960033)	Inhibition of human HDAC3
50028450	4	ChEMBL_565676 (CHEMBL960034)	Inhibition of human HDAC4
50046945	5	ChEMBL_1555983 (CHEMBL3767491)	Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assay
50046945	2	ChEMBL_1555980 (CHEMBL3767488)	Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assay
50046945	10	ChEMBL_1555993 (CHEMBL3767657)	Agonist activity at recombinant human oxytocin receptor expressed in CHO-DUKX-A2 cells assessed as change in intracellular calcium level by FLIPR assay
50046945	11	ChEMBL_1555994 (CHEMBL3767658)	Binding affinity to vasopressin 1a receptor (unknown origin)
50046945	1	ChEMBL_1555979 (CHEMBL3767487)	Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assay
50046945	4	ChEMBL_1555982 (CHEMBL3767490)	Agonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addition of Ab-Cryptate and IP1-d2 by HTRF assay
50028454	1	ChEMBL_501195 (CHEMBL975308)	Antagonist activity at TLR7 expressed in HEK293 cells by spectrophotometry in presence of 250 ng/mL gardiquimod
50028455	2	ChEMBL_501198 (CHEMBL975311)	Inhibition of human DPP2
50028455	3	ChEMBL_501217 (CHEMBL975252)	Inhibition of human ERG by patch-clamp assay
50028455	1	ChEMBL_501197 (CHEMBL975310)	Inhibition of human DPP4
50028457	1	ChEMBL_562542 (CHEMBL1014534)	Inhibition of IKK-beta by TR-FRET assay
50028459	1	ChEMBL_501237 (CHEMBL975272)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells
50046945	6	ChEMBL_1555978 (CHEMBL3767486)	Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate reader analysis
50046945	8	ChEBML_1555980	Antagonist activity at human oxytocin receptor expressed in HEK293 cells assessed as inhibition of oxytocin induced IP1 accumulation pretreated for 30 mins measured 1 hr post Ab-Cryptate and IP1-d2 addition by HTRF assay
50046946	1	ChEBML_1556002	Inhibition of human OSC expressed in recombinant Saccharomyces cerevisiae SMY8 using [14C]-(3S)-2,3-oxidosqualene as substrate
50046947	1	ChEBML_1553155	Inhibition of human recombinant N-terminal His6-tagged TRKA cytoplasmic domain (residues 440)
50046947	2	ChEBML_1553162	Inhibition of recombinant rat GST-tagged CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autoradiography
50046947	3	ChEBML_1553163	Inhibition of recombinant human CK1epsilon using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autoradiography
50046947	4	ChEBML_1553165	Inhibition of TNIK (unknown origin) by ATP competition assay
50046947	5	ChEBML_1553166	Inhibition of HIV-1 reverse transcriptase using and rCdC as template and tritium-labeled dGTP incubated for 30 mins by liquid scintillation counting method
50046948	1	ChEBML_1553171	Inhibition of mitochondrial sodium/calcium exchanger (unknown origin)
50046949	1	ChEMBL_1553397 (CHEMBL3768161)	Inhibition of human ABCG2 expressed in HEK293 cells by mitoxantrone flow cytometric analysis
50046949	2	ChEBML_1553383	Inhibition of human MRP1 transfected in MDCK2 cells assessed as inhibition of calcein-AM efflux
50046949	3	ChEBML_1553384	Inhibition of ABCB1 in human KBV1 cells assessed as inhibition of calcein-AM efflux
50028464	2	ChEMBL_501564 (CHEMBL987693)	Inhibition of EGFR
50028464	1	ChEMBL_501565 (CHEMBL987694)	Inhibition of CDK1
50028468	3	ChEMBL_501594 (CHEMBL987723)	Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated 5 mins before glutamate challenge
50046949	4	ChEBML_1553385	Inhibition of ABCG2 in human MCF7/Topo cells by Hoechst 33342 assay
50028468	1	ChEMBL_501603 (CHEMBL987732)	Antagonist activity at mGluR5
50028470	5	ChEMBL_562549 (CHEMBL1014541)	Displacement of [125I]I-Tyr(3)NT from human NTR1
50028470	4	ChEMBL_562550 (CHEMBL1014542)	Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay
50028470	2	ChEMBL_562555 (CHEMBL1014547)	Binding affinity to human NTR1
50028470	3	ChEMBL_562556 (CHEMBL1014548)	Agonist activity at human NTR1 assessed as increase in intracellular calcium concentration
50028470	1	ChEMBL_562557 (CHEMBL1014549)	Agonist activity at NTR1 in mouse N1E-115 cells assessed as increase in intracellular calcium concentration
50028471	3	ChEMBL_501616 (CHEMBL993706)	Antagonist activity at MCH1R by [35S]GTPgammaS binding assay
50028471	1	ChEMBL_501617 (CHEMBL993707)	Antagonist activity at MCH1R
50028471	2	ChEMBL_501618 (CHEMBL993708)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells
50028472	4	ChEMBL_562560 (CHEMBL1017158)	Inhibition of GST-tagged SIRT1 expressed in Escherichia coli after 10 mins by Dixon plot
50028472	3	ChEMBL_562561 (CHEMBL1017159)	Inhibition of GST-tagged SIRT2 expressed in Escherichia coli after 60 mins by Dixon plot
50028472	1	ChEMBL_562562 (CHEMBL1017160)	Inhibition of recombinant SIRT1 preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay
50028472	2	ChEMBL_562563 (CHEMBL1017161)	Inhibition of recombinant SIRT2 preincubated for 5 mins before addition of substrate measured after 3 hrs by fluorescence-based assay
50028475	2	ChEMBL_562602 (CHEMBL1016183)	Inhibition of cathepsin B
50028475	1	ChEMBL_562603 (CHEMBL1015279)	Inhibition of cathepsin L
50028479	3	ChEMBL_541847 (CHEMBL1015215)	Inhibition of bovine COX1 by enzyme immunoassay
50028479	2	ChEMBL_541848 (CHEMBL1015216)	Inhibition of human recombinant COX2 by enzyme immunoassay
50028479	1	ChEMBL_541849 (CHEMBL1015217)	Inhibition of bovine COX2 by enzyme immunoassay
50028480	7	ChEMBL_499722 (CHEMBL968695)	Inhibition of Factor 10a
50028480	6	ChEMBL_499727 (CHEMBL968700)	Binding affinity to human ERG
50028480	4	ChEMBL_499728 (CHEMBL968701)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp method
50028480	3	ChEMBL_499729 (CHEMBL968702)	Inhibition of thrombin
50028480	5	ChEMBL_499731 (CHEMBL968704)	Inhibition of tissue plasminogen activator
50028480	1	ChEMBL_499732 (CHEMBL968705)	Inhibition of activated anticoagulant protein C
50028480	2	ChEMBL_499733 (CHEMBL968706)	Inhibition of plasmin
50046950	1	ChEMBL_1553408 (CHEMBL3768172)	Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells measured after 1 hr
50046950	2	ChEMBL_1553409 (CHEMBL3768173)	Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr
50046950	3	ChEBML_1553408	Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells measured after 1 hr
50046950	4	ChEBML_1553409	Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr
50046951	2	ChEMBL_1553434 (CHEMBL3768389)	Inhibition of human recombinant farnesyltransferase using farnesyl pyrophosphate and Dansyl-GCVLS peptide after 15 mins by fluorescence assay
50028483	2	ChEMBL_497537 (CHEMBL998594)	Inhibition of Factor 10a
50028483	4	ChEMBL_497543 (CHEMBL998600)	Inhibition of thrombin
50028483	1	ChEMBL_497545 (CHEMBL998602)	Inhibition of tissue plasminogen activator
50028483	3	ChEMBL_497547 (CHEMBL998604)	Inhibition of plasmin
50028484	1	ChEMBL_562666 (CHEMBL1011825)	Inhibition of human carbonic anhydrase2
50028484	2	ChEMBL_562668 (CHEMBL1011827)	Inhibition of Candida albicans Nce103
50028485	3	ChEMBL_562669 (CHEMBL1011828)	Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiA
50028485	2	ChEMBL_562670 (CHEMBL1011829)	Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiB
50028485	1	ChEMBL_562671 (CHEMBL1011830)	Displacement of 4-methylumbelliferydiacetyl-chitobiose from Serratia marcescens ChiC
50028486	9	ChEMBL_562673 (CHEMBL1011832)	Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1
50028486	7	ChEMBL_562672 (CHEMBL1011831)	Inhibition of PTP1B
50028486	3	ChEMBL_562674 (CHEMBL1011833)	Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1
50028486	5	ChEMBL_562675 (CHEMBL1011834)	Inhibition of human cloned PTP1B expressed in Escherichia coli TB1
50028486	2	ChEMBL_562683 (CHEMBL1011842)	Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay
50028486	4	ChEMBL_562684 (CHEMBL1011843)	Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay
50028486	6	ChEMBL_562685 (CHEMBL1011844)	Inhibition of human cloned PTP1B expressed in Escherichia coli TB1 by mixed type inhibition assay
50028486	8	ChEMBL_562686 (CHEMBL1011845)	Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by competitive inhibition assay
50028486	10	ChEMBL_562687 (CHEMBL1011846)	Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by competitive inhibition assay
50028486	1	ChEMBL_562682 (CHEMBL1011841)	Inhibition of human recombinant PTP1B
50028489	4	ChEMBL_497566 (CHEMBL998623)	Inhibition of PLD1 in human Calu1 cells
50028489	3	ChEMBL_497567 (CHEMBL998624)	Inhibition of GFP-labeled PLD2 in human HEK293 cells
50028489	1	ChEMBL_497570 (CHEMBL998627)	Inhibition of PLD1 by biochemical assay
50028489	2	ChEMBL_497571 (CHEMBL998628)	Inhibition of PLD2 by biochemical assay
50046952	6	ChEMBL_1553655 (CHEMBL3766235)	Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay
50046952	2	ChEMBL_1553658 (CHEMBL3766238)	Agonist activity at human VP16 tagged-VDR-LBD after 16 hrs by luciferase reporter gene based transcription assay
50046952	5	ChEMBL_1553654 (CHEMBL3766234)	Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay
50046952	1	ChEMBL_1553657 (CHEMBL3766237)	Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induced SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay
50046952	4	ChEMBL_1553653 (CHEMBL3766233)	Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay
50046952	3	ChEBML_1553653	Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay
50028492	2	ChEMBL_562695 (CHEMBL1012730)	Inhibition of human recombinant caspase 3
50028492	1	ChEMBL_562696 (CHEMBL1012731)	Inhibition of human recombinant caspase 7
50028493	1	ChEMBL_562697 (CHEMBL1012732)	Inhibition of p38alpha MAP kinase
50028494	2	ChEMBL_562699 (CHEMBL1012734)	Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells
50028494	3	ChEMBL_562701 (CHEMBL1012736)	Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells
50028494	5	ChEMBL_562703 (CHEMBL1012738)	Displacement of [3H]NECA from human cloned adenosine A2A receptor expressed in CHO cells
50028494	4	ChEMBL_562705 (CHEMBL1012740)	Displacement of [3H]DPCPX from bovine brain cortical membrane adenosine A1 receptor
50028494	1	ChEMBL_562710 (CHEMBL1012745)	Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain membrane
50028494	6	ChEMBL_562709 (CHEMBL1012744)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of NECA-mediated inhibition of forskolin-stimulated cAMP accumulation
50028498	2	ChEMBL_562750 (CHEMBL1022422)	Inhibition of wild-type c-Abl by liquid scintillation counting
50028498	4	ChEMBL_562747 (CHEMBL1022419)	Inhibition of human recombinant HDAC6 expressed in HEK293 cells
50028498	5	ChEMBL_562746 (CHEMBL1022418)	Inhibition of human recombinant HDAC1 expressed in HEK293 cells
50028498	1	ChEMBL_562753 (CHEMBL1022425)	Inhibition of VEGFR2 by liquid scintillation counting
50028498	3	ChEMBL_562752 (CHEMBL1022424)	Inhibition of PDGFRbeta by liquid scintillation counting
50028499	1	ChEMBL_497574 (CHEMBL999421)	Inhibition of epoxide hydrolase
50028501	1	ChEMBL_497592 (CHEMBL999439)	Inhibition of human recombinant PDE7A1 expressed in baculovirus-infected insect Sf9 cells by modified two-step method
50028501	2	ChEMBL_497579 (CHEMBL999426)	Inhibition of human recombinant PDE1A3 expressed in baculovirus-infected insect Sf9 cells by modified two-step method
50028502	2	ChEMBL_501266 (CHEMBL976168)	Inhibition of glucose-6-phosphatase
50028502	1	ChEMBL_501267 (CHEMBL976169)	Inhibition of PTP1B
50028506	1	ChEMBL_562793 (CHEMBL1018873)	Inhibition of recombinant phospholipase C gamma2 expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemical assay
50028508	2	ChEMBL_499778 (CHEMBL968751)	Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux by aequorin luminescence assay in presence of 4% human serum albumin
50028508	1	ChEMBL_499777 (CHEMBL968750)	Antagonist activity at 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux by aequorin luminescence assay
50028509	1	ChEMBL_501283 (CHEMBL971469)	Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay
50028509	9	ChEMBL_501284 (CHEMBL971470)	Binding affinity to EP1 receptor
50028509	8	ChEMBL_501285 (CHEMBL971471)	Binding affinity to EP2 receptor
50028509	12	ChEMBL_501286 (CHEMBL971472)	Binding affinity to EP3 receptor
50028509	10	ChEMBL_501287 (CHEMBL971473)	Binding affinity to EP4 receptor
50028509	6	ChEMBL_501288 (CHEMBL971474)	Binding affinity to FP receptor
50028509	4	ChEMBL_501289 (CHEMBL971475)	Binding affinity to IP receptor
50028509	7	ChEMBL_501293 (CHEMBL971479)	Antagonist activity at TP1 in human platelet-rich plasma assessed as inhibition of U44619-induced platelet aggregation
50028509	2	ChEMBL_501282 (CHEMBL971468)	Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay
50046953	1	ChEMBL_1553829 (CHEMBL3767195)	Inhibition of SK1 (unknown origin)
50046953	12	ChEMBL_1553851 (CHEMBL3767365)	Inhibition of recombinant human SK2 assessed as production of [32P] S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gamma32P]-ATP relative to control
50046953	2	ChEMBL_1553858 (CHEMBL3767372)	Inhibition of human SK2 using D-erythro sphingosine as substrate and gamma[33P]ATP by Lineweaver-Burk plot analysis
50046953	3	ChEMBL_1553855 (CHEMBL3767369)	Inhibition of recombinant SK2 (unknown origin) expressed in Sf9 cells assessed as [33P]S1P formation using D-erythro sphingosine as substrate and gamma[33P]ATP by liquid scintillation counting
50046953	4	ChEMBL_1553830 (CHEMBL3767196)	Inhibition of SK2 (unknown origin)
50046953	5	ChEMBL_1553857 (CHEMBL3767371)	Inhibition of human SK1 using D-erythro sphingosine as substrate and gamma[33P]ATP by Lineweaver-Burk plot analysis
50046953	6	ChEMBL_1553856 (CHEMBL3767370)	Inhibition of recombinant SK2 (unknown origin) using sphingosine as substrate and gamma[32P]ATP by Lineweaver-Burk plot analysis
50046953	7	ChEMBL_1553854 (CHEMBL3767368)	Inhibition of recombinant SK1 (unknown origin) expressed in Sf9 cells assessed as [33P]S1P formation using D-erythro sphingosine as substrate and gamma[33P]ATP by liquid scintillation counting
50046953	8	ChEBML_1553848	Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrate
50046953	11	ChEMBL_1553848 (CHEMBL3767362)	Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrate
50046953	9	ChEBML_1553858	Inhibition of human SK2 using D-erythro sphingosine as substrate and gamma[33P]ATP by Lineweaver-Burk plot analysis
50046953	10	ChEMBL_1553849 (CHEMBL3767363)	Inhibition of SK1 (unknown origin) using 3 uM of sphingosine as substrate
50046953	13	ChEMBL_1553850 (CHEMBL3767364)	Inhibition of recombinant His-tagged human SK1 assessed as production of [32P]-S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gamma32P]-ATP
50046954	1	ChEBML_1553978	Binding affinity to human adenosine A2B receptor
50046954	2	ChEBML_1553979	Binding affinity to human adenosine A3 receptor
50046954	3	ChEBML_1553861	Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting analysis
50028516	4	ChEMBL_501338 (CHEMBL972422)	Inhibition of CYP2C8 in human liver microsomes using montelukast substrate
50028516	3	ChEMBL_501339 (CHEMBL1009689)	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate
50028516	5	ChEMBL_501355 (CHEMBL1010538)	Agonist activity at rat GPR109A expressed by [35S]GTPgammaS binding assay
50028516	1	ChEMBL_501337 (CHEMBL971523)	Displacement of [3H]niacin from human GPR109A expressed in CHO cells
50028516	2	ChEMBL_501336 (CHEMBL971522)	Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay
50046954	4	ChEBML_1553862	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysis
50028523	1	ChEMBL_562971 (CHEMBL1015370)	Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity assay
50028523	2	ChEMBL_562972 (CHEMBL1015371)	Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity assay
50028523	4	ChEMBL_562973 (CHEMBL1015372)	Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity assay
50028524	2	ChEMBL_562994 (CHEMBL1015331)	Displacement of [3H]HEMADO from human recombinant adenosine A3 receptor expressed in CHO cells
50028524	3	ChEMBL_562991 (CHEMBL1015328)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50028524	4	ChEMBL_562992 (CHEMBL1015329)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells
50028524	1	ChEMBL_562993 (CHEMBL1015330)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50028525	14	ChEMBL_563039 (CHEMBL1011869)	Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs
50028525	10	ChEMBL_563036 (CHEMBL1011866)	Inhibition of Src
50028525	6	ChEMBL_563034 (CHEMBL1011864)	Inhibition of LYN
50028525	8	ChEMBL_563032 (CHEMBL1011862)	Inhibition of EGFR
50028525	7	ChEMBL_563031 (CHEMBL1011861)	Inhibition of STAT3
50028525	4	ChEMBL_563030 (CHEMBL1011860)	Inhibition of PKCtheta
50028525	15	ChEMBL_563029 (CHEMBL1011859)	Inhibition of mTOR
50028525	16	ChEMBL_563028 (CHEMBL1011858)	Inhibition of LCK
50028525	9	ChEMBL_563027 (CHEMBL1011857)	Inhibition of IKK2
50028525	11	ChEMBL_563026 (CHEMBL1011856)	Inhibition of Braf
50028525	12	ChEMBL_563025 (CHEMBL1011855)	Inhibition of Tpl2
50028525	13	ChEMBL_563024 (CHEMBL1011854)	Inhibition of PDK1
50028525	2	ChEMBL_563023 (CHEMBL1011853)	Inhibition of MK2
50028525	3	ChEMBL_563022 (CHEMBL1016206)	Inhibition of KDR
50028525	1	ChEMBL_563020 (CHEMBL1016204)	Inhibition of AKT
50046954	5	ChEBML_1553863	Binding affinity to rat A2A adenosine receptor
50046955	1	ChEBML_1553992	Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay
50028528	9	ChEMBL_563071 (CHEMBL1011901)	Inhibition of human ERG by MK-0499 binding assay
50028528	4	ChEMBL_563054 (CHEMBL1011884)	Displacement of [3H]CP-55940 from human recombinant CB2R expressed in CHO cells
50028528	3	ChEMBL_563053 (CHEMBL1011883)	Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level
50028528	10	ChEMBL_563061 (CHEMBL1011891)	Displacement of [3H]CP-55940 from rat recombinant CB1R expressed in CHO cells
50028528	11	ChEMBL_563062 (CHEMBL1011892)	Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells
50028528	12	ChEMBL_563063 (CHEMBL1011893)	Displacement of [3H] SR-141716 from rat recombinant CB1R expressed in CHO cells
50028528	2	ChEMBL_563064 (CHEMBL1011894)	Agonist activity at human recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level
50028528	7	ChEMBL_563085 (CHEMBL1011915)	Antagonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of methanandamide-stimulated cAMP level
50028528	5	ChEMBL_563067 (CHEMBL1011897)	Inhibition of CYP3A4
50028528	13	ChEMBL_563068 (CHEMBL1011898)	Inhibition of CYP2C9
50028528	14	ChEMBL_563069 (CHEMBL1011899)	Inhibition of CYP2D6
50028528	1	ChEMBL_563070 (CHEMBL1011900)	Inhibition of CYP2C8
50028528	6	ChEMBL_563086 (CHEMBL1012779)	Agonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level
50028528	8	ChEMBL_563052 (CHEMBL1011882)	Displacement of [3H]CP-55940 from human recombinant CB1R expressed in CHO cells
50046955	2	ChEBML_1553993	Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay
50046956	16	ChEMBL_1554024 (CHEMBL3768231)	Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay
50046956	2	ChEBML_1554002	Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis
50046956	4	ChEMBL_1554001 (CHEMBL3768208)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay
50046956	3	ChEBML_1554000	Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis
50046956	17	ChEMBL_1554003 (CHEMBL3768210)	Displacement of [3H]-dofetilide from human ERG potassium channel by scintillation proximity assay
50046956	18	ChEMBL_1554013 (CHEMBL3768220)	Inhibition of human CYP3A4 expressed in bactosome using 7BQ as substrate
50046956	19	ChEMBL_1554002 (CHEMBL3768209)	Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis
50046956	20	ChEMBL_1554000 (CHEMBL3768207)	Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis
50046956	5	ChEBML_1554004	Binding affinity to dopamine D1 receptor (unknown origin)
50046956	6	ChEBML_1554005	Binding affinity to dopamine D4 receptor (unknown origin)
50046956	7	ChEBML_1554006	Binding affinity to muscarinic M3 receptor (unknown origin)
50046956	8	ChEBML_1554007	Antagonist activity at muscarinic M1 receptor (unknown origin)
50046956	9	ChEBML_1554008	Inhibition of human CYP1A2 expressed in bactosome
50046956	10	ChEBML_1554009	Inhibition of human CYP2C9 expressed in bactosome
50046956	11	ChEBML_1554010	Inhibition of human CYP2C19 expressed in bactosome
50046956	12	ChEBML_1554011	Inhibition of human CYP2D6 expressed in bactosome
50046956	13	ChEMBL_1554012 (CHEMBL3768219)	Inhibition of human CYP3A4 expressed in bactosome using DBOMF as substrate
50046956	15	ChEBML_1554001	Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay
50047067	1	ChEMBL_1553193 (CHEMBL3767151)	Inhibition of IKKbeta in primary type-2 collagen immunized mouse splenocytes assessed as inhibition of TNFalpha production at 10 uM after 72 hrs by ELISA
50046957	1	ChEBML_1554331	Agonist activity at human MOR expressed in CHO cells assessed as induction of membrane potential change measured every 3 secs for 30 secs by fluorescent membrane potential assay
50046957	2	ChEBML_1554328	Displacement of [3H]DPDPE from rat cortical DOR after 2.5 hrs by liquid scintillation counting method
50046957	3	ChEBML_1554327	Displacement of [3H]U69,593 from guinea pig KOR after 2 hrs by liquid scintillation counting method
50046957	4	ChEBML_1554326	Displacement of [3H]DAMGO from rat cortical MOR by liquid scintillation counting method
50046958	1	ChEBML_1554333	Inhibition of recombinant human LSD2 using H3K4 peptide as substrate assessed as decrease in H3K4 demethylation after 1 hr by mass spectroscopic analysis
50046958	2	ChEBML_1554334	Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay
50046930	2	ChEMBL_1549998 (CHEMBL3755449)	Inhibition of B-Raf V600E mutant (unknown origin) by lantha screen assay
50028533	2	ChEMBL_563100 (CHEMBL1022370)	Inhibition of Src kinase
50028533	3	ChEMBL_563101 (CHEMBL1022371)	Inhibition of EGFR
50028533	1	ChEMBL_563103 (CHEMBL1022373)	Inhibition of VEGFR2
50046959	1	ChEMBL_1550151 (CHEMBL3756492)	Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay
50046959	2	ChEMBL_1550137 (CHEMBL3756279)	Binding affinity to 5-HT 2A (unknown origin) by competition binding assay
50046959	3	ChEMBL_1550157 (CHEMBL3756498)	Binding affinity to DAT (unknown origin) by competition binding assay
50046959	4	ChEMBL_1550136 (CHEMBL3756278)	Binding affinity to 5-HT 1E (unknown origin) by competition binding assay
50028537	3	ChEMBL_563170 (CHEMBL964274)	Inhibition of human recombinant nNOS using 1 mM NADH and 2 uM L-arginine after 30 mins
50028537	4	ChEMBL_563211 (CHEMBL991751)	Inhibition of human iNOS
50028537	2	ChEMBL_563212 (CHEMBL991752)	Inhibition of human eNOS
50028537	1	ChEMBL_563213 (CHEMBL991753)	Inhibition of human nNOS
50028537	6	ChEMBL_563168 (CHEMBL964272)	Inhibition of human recombinant iNOS using 1 mM NADH and 2 uM L-arginine after 30 mins
50028537	5	ChEMBL_563169 (CHEMBL964273)	Inhibition of human recombinant eNOS using 1 mM NADH and 2 uM L-arginine after 30 mins
50046959	5	ChEMBL_1550135 (CHEMBL3756277)	Binding affinity to 5-HT 1D (unknown origin) by competition binding assay
50028538	2	ChEMBL_563272 (CHEMBL981029)	Inhibition of memapsin 1
50028538	3	ChEMBL_563273 (CHEMBL981030)	Inhibition of cathepsin D
50028539	2	ChEMBL_563307 (CHEMBL981943)	Inhibition of cathepsin D
50028539	4	ChEMBL_563303 (CHEMBL981939)	Inhibition of CYP3A4 assessed as midazolam 1'- hydroxylation
50028539	1	ChEMBL_563299 (CHEMBL981056)	Inhibition of CYP1A2 assessed as phenacetin O-deethylation
50028539	7	ChEMBL_563300 (CHEMBL981057)	Inhibition of CYP2C9 assessed as Tolbutamide hydroxylation
50028539	5	ChEMBL_563301 (CHEMBL981058)	Inhibition of CYP2C19 assessed as S-mephenytion hydroxylation
50028539	6	ChEMBL_563302 (CHEMBL981938)	Inhibition of CYP2D6 assessed as dextromethorphan O-demethylation
50028539	3	ChEMBL_563306 (CHEMBL981942)	Inhibition of renin
50028545	1	ChEMBL_563397 (CHEMBL959382)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells
50028545	4	ChEMBL_563399 (CHEMBL960151)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells
50028545	2	ChEMBL_563400 (CHEMBL960152)	Agonist activity at human recombinant 5HT7 receptor expressed in CHOK1 cells assessed as increase in cAMP levels by HTRF assay
50046959	6	ChEMBL_1550134 (CHEMBL3756276)	Binding affinity to 5-HT 1B (unknown origin) by competition binding assay
50046959	7	ChEMBL_1550133 (CHEMBL3756275)	Binding affinity to 5-HT 1A (unknown origin) by competition binding assay
50028548	19	ChEMBL_501729 (CHEMBL985009)	Inhibition of to JNK2
50028548	12	ChEMBL_501730 (CHEMBL985010)	Inhibition of JNK3
50028548	10	ChEMBL_501731 (CHEMBL985011)	Inhibition of CDK2/cyclinA
50028548	14	ChEMBL_501732 (CHEMBL985012)	Inhibition of MKK7beta
50028548	18	ChEMBL_501957 (CHEMBL985880)	Inhibition of MKK4
50028548	15	ChEMBL_501958 (CHEMBL985881)	Inhibition of SPAK4
50028548	16	ChEMBL_501959 (CHEMBL985882)	Inhibition of GSK3-beta
50028548	11	ChEMBL_501960 (CHEMBL985883)	Inhibition of SAPK3
50028548	9	ChEMBL_501961 (CHEMBL985884)	Inhibition of IKKb
50028548	4	ChEMBL_501963 (CHEMBL985886)	Inhibition of MKK6
50028548	2	ChEMBL_501965 (CHEMBL985888)	Inhibition of AMPK
50028548	6	ChEMBL_501968 (CHEMBL985891)	Inhibition of MEK1
50028548	5	ChEMBL_501969 (CHEMBL985892)	Inhibition of P70s6K
50028548	21	ChEMBL_501970 (CHEMBL985893)	Inhibition of PDK1
50028548	22	ChEMBL_501971 (CHEMBL985894)	Inhibition of PKCtheta
50028548	20	ChEMBL_501972 (CHEMBL985895)	Inhibition of SAPK2a
50028548	13	ChEMBL_501722 (CHEMBL985050)	Inhibition of JNK1
50028548	17	ChEMBL_501727 (CHEMBL985007)	Binding affinity to human ERG
50028552	1	ChEMBL_502274 (CHEMBL983945)	Displacement of [3H]CP-55940 from CB1R in Sprague-Dawley rat cerebellar membrane
50028553	1	ChEMBL_563422 (CHEMBL960174)	Binding affinity to human cyclophilin A by intrinsic tryptophan fluorescence titration assay
50028553	2	ChEMBL_563423 (CHEMBL960175)	Inhibition of human cyclophilin A at 6 degC
50028554	2	ChEMBL_499986 (CHEMBL1022898)	Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity
50028554	1	ChEMBL_499987 (CHEMBL1022899)	Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity
50028555	3	ChEMBL_500188 (CHEMBL980655)	Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation
50028555	2	ChEMBL_500189 (CHEMBL980656)	Binding affinity to human cannabinoid CB2R expressed in CHO cells
50028555	1	ChEMBL_500187 (CHEMBL980654)	Inverse agonist activity at cannabinoid CB1 receptor
50028558	1	ChEMBL_500213 (CHEMBL980680)	Antagonist activity at human 5HT2A receptor expressed in EC80 serotonin-stimulated CHOK1 cells by calcium mobilization assay
50028560	2	ChEMBL_502279 (CHEMBL983950)	Agonist activity at mGluR2 expressed in HEK cells by FLIPR assay in presence of glutamate
50028560	1	ChEMBL_497613 (CHEMBL1002099)	Binding affinity to human 5HT2A receptor
50046959	8	ChEMBL_1550158 (CHEMBL3756499)	Binding affinity to NET (unknown origin) by competition binding assay
50046959	9	ChEMBL_1550138 (CHEMBL3756280)	Binding affinity to 5-HT 2B (unknown origin) by competition binding assay
50046959	10	ChEMBL_1550139 (CHEMBL3756281)	Binding affinity to 5-HT 2C (unknown origin) by competition binding assay
50046959	11	ChEMBL_1550148 (CHEMBL3756489)	Binding affinity to alpha-2C adrenergic receptor (unknown origin) by competition binding assay
50046959	12	ChEMBL_1550147 (CHEMBL3756488)	Binding affinity to alpha-2B adrenergic receptor (unknown origin) by competition binding assay
50046959	13	ChEMBL_1550150 (CHEMBL3756491)	Binding affinity to D3 dopamine receptor (unknown origin) by competition binding assay
50046959	14	ChEMBL_1550149 (CHEMBL3756490)	Binding affinity to D2 dopamine receptor (unknown origin) by competition binding assay
50046959	15	ChEMBL_1550155 (CHEMBL3756496)	Binding affinity to sigma 1 receptor (unknown origin) by competition binding assay
50028562	1	ChEMBL_500225 (CHEMBL980692)	Inhibition of MMP1
50028562	2	ChEMBL_500226 (CHEMBL980693)	Inhibition of MMP2
50028562	3	ChEMBL_500227 (CHEMBL980694)	Inhibition of MMP13
50046959	16	ChEMBL_1550154 (CHEMBL3756495)	Binding affinity to mu type opioid receptor (unknown origin) by competition binding assay
50046959	17	ChEMBL_1550153 (CHEMBL3756494)	Binding affinity to kappa type opioid receptor (unknown origin) by competition binding assay
50046959	18	ChEMBL_1550152 (CHEMBL3756493)	Binding affinity to histamine H3 receptor (unknown origin) by competition binding assay
50046959	19	ChEMBL_1550146 (CHEMBL3756288)	Binding affinity to alpha-2A adrenergic receptor (unknown origin) by competition binding assay
50046959	20	ChEMBL_1550145 (CHEMBL3756287)	Binding affinity to alpha-1D adrenergic receptor (unknown origin) by competition binding assay
50046959	21	ChEMBL_1550144 (CHEMBL3756286)	Binding affinity to alpha-1B adrenergic receptor (unknown origin) by competition binding assay
50046959	22	ChEMBL_1550143 (CHEMBL3756285)	Binding affinity to alpha-1A adrenergic receptor (unknown origin) by competition binding assay
50046959	23	ChEMBL_1550142 (CHEMBL3756284)	Binding affinity to 5-HT 7 (unknown origin) by competition binding assay
50046959	24	ChEMBL_1550141 (CHEMBL3756283)	Binding affinity to 5-HT 6 (unknown origin) by competition binding assay
50046959	25	ChEMBL_1550159 (CHEMBL3756500)	Binding affinity to SERT (unknown origin) by competition binding assay
50046959	26	ChEMBL_1550140 (CHEMBL3756282)	Binding affinity to 5-HT 5A (unknown origin) by competition binding assay
50028566	2	ChEMBL_500251 (CHEMBL969586)	Displacement of fluorescently-tagged BH3 peptide from Bcl-XL by chemiluminescent nitrogen detection method
50028566	1	ChEMBL_500250 (CHEMBL969585)	Displacement of fluorescently-tagged BH3 peptide from Bcl-2 by chemiluminescent nitrogen detection method
50028573	1	ChEMBL_563490 (CHEMBL961038)	Inhibition of human cloned 5HT3 receptor by competitive binding experiment
50028573	2	ChEMBL_563491 (CHEMBL961039)	Inhibition of human cloned 5HT5A receptor by competitive binding experiment
50028573	3	ChEMBL_563492 (CHEMBL961040)	Inhibition of human cloned 5HT6 receptor by competitive binding experiment
50028573	5	ChEMBL_563493 (CHEMBL961041)	Inhibition of human cloned 5HT7 receptor by competitive binding experiment
50028573	6	ChEMBL_563494 (CHEMBL961042)	Inhibition of human cloned dopamine D1 receptor by competitive binding experiment
50028573	7	ChEMBL_563495 (CHEMBL961043)	Inhibition of human cloned dopamine D4 receptor by competitive binding experiment
50028573	11	ChEMBL_563502 (CHEMBL961050)	Inhibition of human cloned alpha1A adrenergic receptor by competitive binding experiment
50028573	10	ChEMBL_563503 (CHEMBL961051)	Inhibition of human cloned Alpha-1B adrenergic receptor by competitive binding experiment
50028573	9	ChEMBL_563504 (CHEMBL961052)	Inhibition of human cloned alpha2A adrenergic receptor by competitive binding experiment
50028573	27	ChEMBL_563479 (CHEMBL961027)	Inhibition of human cloned Alpha-2C adrenergic receptor by competitive binding experiment
50028573	17	ChEMBL_563506 (CHEMBL961054)	Inhibition of human cloned DAT by competitive binding experiment
50028573	18	ChEMBL_563505 (CHEMBL961053)	Inhibition of human cloned SERT by competitive binding experiment
50028573	16	ChEMBL_563507 (CHEMBL961055)	Inhibition of human cloned mu opioid receptor by competitive binding experiment
50028573	21	ChEMBL_563482 (CHEMBL961030)	Binding affinity to 5-HT1A receptor by competitive binding experiment
50028573	22	ChEMBL_563483 (CHEMBL961031)	Displacement of [3H]altanserine from rat cortical membrane 5HT2A receptor
50028573	23	ChEMBL_563481 (CHEMBL961029)	Binding affinity to 5HT2C receptor by competitive binding experiment
50028573	20	ChEMBL_563485 (CHEMBL961033)	Binding affinity to dopamine D2 receptor by competitive binding experiment
50028573	19	ChEMBL_563484 (CHEMBL961032)	Displacement of [3H]MDL100907 from rat cortical membrane 5HT2A receptor
50028573	30	ChEMBL_563476 (CHEMBL961024)	Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser
50028573	4	ChEMBL_563474 (CHEMBL961022)	Inhibition of human cloned 5HT1A receptor by competitive binding experiment
50028573	29	ChEMBL_563477 (CHEMBL961025)	Inhibition of human cloned 5-HT2C receptor by competitive binding experiment
50028573	28	ChEMBL_563478 (CHEMBL961026)	Inhibition of human cloned dopamine D2 receptor by competitive binding experiment
50028573	31	ChEMBL_563475 (CHEMBL961023)	Inhibition of human cloned 5HT1B receptor by competitive binding experiment
50028573	13	ChEMBL_563487 (CHEMBL961035)	Inhibition of human cloned 5HT1D receptor by competitive binding experiment
50028573	15	ChEMBL_563488 (CHEMBL961036)	Inhibition of human cloned 5HT1E receptor by competitive binding experiment
50028573	14	ChEMBL_563489 (CHEMBL961037)	Inhibition of human cloned 5HT2B receptor by competitive binding experiment
50028573	8	ChEMBL_563496 (CHEMBL961044)	Inhibition of human cloned dopamine D5 receptor by competitive binding experiment
50028573	26	ChEMBL_563497 (CHEMBL961045)	Inhibition of human cloned beta3 adrenergic receptor by competitive binding experiment
50028573	25	ChEMBL_563498 (CHEMBL961046)	Inhibition of human cloned histamine H1 receptor by competitive binding experiment
50028573	24	ChEMBL_563499 (CHEMBL961047)	Inhibition of human cloned histamine H2 receptor by competitive binding experiment
50028573	12	ChEMBL_563500 (CHEMBL961048)	Inhibition of human cloned histamine H3 receptor by competitive binding experiment
50046960	1	ChEMBL_1550167 (CHEMBL3756508)	Competitive inhibition of Escherichia coli beta-galactosidase assessed as p-nitrophenyl-beta-D-galactopyranoside substrate hydrolysis by UV/Vis spectroscopy
50046961	1	ChEMBL_1547207 (CHEMBL3756314)	Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry
50046961	2	ChEMBL_1547206 (CHEMBL3756313)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry
50046961	3	ChEMBL_1547208 (CHEMBL3756315)	Displacement of [3H]ketanserin from 5HT2A in Wistar rat frontal cortex membranes after 1 hr by liquid scintillation spectrometry
50046961	4	ChEMBL_1547210 (CHEMBL3756317)	Binding affinity to SERT (unknown origin)
50046961	5	ChEMBL_1547211 (CHEMBL3756318)	Binding affinity to 5HT2C (unknown origin)
50046961	6	ChEMBL_1547212 (CHEMBL3756319)	Binding affinity to 5HT2A (unknown origin)
50046962	1	ChEMBL_1547422 (CHEMBL3757541)	Inhibition of S-adenosylhomocysteine hydrolase (unknown origin)
50046963	1	ChEMBL_1547440 (CHEMBL3757559)	Inhibition of ASCT2-mediated glutamine transport in human HEK293 cells using [3H]-glutamine after 15 mins by scintillation counting
50046963	2	ChEMBL_1547439 (CHEMBL3757558)	Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting
50028576	5	ChEMBL_563541 (CHEMBL961828)	Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay
50028576	6	ChEMBL_563542 (CHEMBL961829)	Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay
50028576	4	ChEMBL_563546 (CHEMBL961833)	Binding affinity to CB1 receptor in rat brain membrane
50028576	2	ChEMBL_563547 (CHEMBL961834)	Binding affinity to CB1 receptor in rat spleen membrane
50028576	3	ChEMBL_563548 (CHEMBL961835)	Binding affinity to CB2 receptor in rat brain membrane
50028576	1	ChEMBL_563549 (CHEMBL961836)	Binding affinity to CB2 receptor in rat spleen membrane
50028577	1	ChEMBL_563553 (CHEMBL961840)	Inhibition of Hsp90 by FP ATP-site binding assay
50028578	2	ChEMBL_563561 (CHEMBL961848)	Activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current
50028578	1	ChEMBL_563562 (CHEMBL961849)	Activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-evoked current
50028580	4	ChEMBL_500255 (CHEMBL969590)	Inhibition of human CYP1A2
50028580	1	ChEMBL_500256 (CHEMBL969591)	Inhibition of human CYP2C19
50028580	2	ChEMBL_500257 (CHEMBL969592)	Inhibition of human CYP2C9
50028580	7	ChEMBL_500258 (CHEMBL969593)	Inhibition of human CYP2D6
50028580	6	ChEMBL_500259 (CHEMBL969594)	Inhibition of human CYP3A4 using DEF substrate
50028580	5	ChEMBL_500493 (CHEMBL1009670)	Inhibition of human CYP3A4 using PPR substrate
50028580	3	ChEMBL_500487 (CHEMBL1009664)	Inhibition of human ERG channel
50028583	1	ChEMBL_500498 (CHEMBL1009675)	Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells
50028583	5	ChEMBL_500500 (CHEMBL1009677)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells
50046963	3	ChEMBL_1547438 (CHEMBL3757557)	Inhibition of ASCT2 (unknown origin)-mediated glutamine transport
50028583	4	ChEMBL_500502 (CHEMBL1009679)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50028585	1	ChEMBL_563598 (CHEMBL962551)	Inhibition of Stat3 by fluorescence polarization assay
50028587	11	ChEMBL_563642 (CHEMBL963377)	Inhibition of CDK1/Cyclin B
50028587	16	ChEMBL_563644 (CHEMBL963379)	Inhibition of CDK3/Cyclin E
50028587	15	ChEMBL_563645 (CHEMBL963380)	Inhibition of CDK4/Cyclin D1
50028587	8	ChEMBL_563648 (CHEMBL963383)	Inhibition of CDK6/cyclin D3
50028587	6	ChEMBL_563649 (CHEMBL963384)	Inhibition of CDK9/cyclin T1
50046964	1	ChEMBL_1547445 (CHEMBL3757564)	Inhibition of soybean lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid after 7 mins
50046965	1	ChEMBL_1547447 (CHEMBL3757724)	Binding affinity to sigma-1 receptor (unknown origin) by radioligand displacement assay
50028587	10	ChEMBL_563643 (CHEMBL963378)	Inhibition of CDK2/Cyclin A
50046966	1	ChEBML_1547635	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase of intracellular calcium level
50028587	9	ChEMBL_563639 (CHEMBL963374)	Inhibition of human GSK3-beta by scintillation counting
50028588	5	ChEMBL_500679 (CHEMBL966895)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50046966	5	ChEMBL_1547473 (CHEMBL3757750)	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level
50046966	11	ChEMBL_1547472 (CHEMBL3757749)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium level
50028588	10	ChEMBL_500691 (CHEMBL966907)	Inhibition of CYP2D6
50028588	7	ChEMBL_500692 (CHEMBL966908)	Inhibition of CYP3A4
50046966	22	ChEMBL_1547635 (CHEMBL3755505)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase of intracellular calcium level
50028588	8	ChEMBL_500693 (CHEMBL966909)	Inhibition of CYP2C9 pre-incubated before addition of substrate
50046966	26	ChEMBL_1547633 (CHEMBL3755503)	Antagonist activity at human TRPV1 expressed in HEK293 cells
50046966	27	ChEMBL_1547634 (CHEMBL3755504)	Antagonist activity at TRPV1 (unknown origin) in DRG neurons
50028590	1	ChEMBL_501358 (CHEMBL1010541)	Inhibition of human plasma derived CETP
50028591	11	ChEMBL_500709 (CHEMBL966925)	Inhibition of PDE1b
50028591	8	ChEMBL_500708 (CHEMBL966924)	Inhibition of PDE1a
50028591	3	ChEMBL_500710 (CHEMBL966926)	Inhibition of PDE1c
50028591	9	ChEMBL_500732 (CHEMBL970511)	Inhibition of PDE3a
50028591	7	ChEMBL_500733 (CHEMBL970512)	Inhibition of PDE3b
50028591	5	ChEMBL_500734 (CHEMBL970513)	Inhibition of PDE4a
50028591	10	ChEMBL_500727 (CHEMBL967762)	Inhibition of PDE4b
50028591	4	ChEMBL_500735 (CHEMBL970514)	Inhibition of PDE4c
50028591	2	ChEMBL_500736 (CHEMBL970515)	Inhibition of PDE4d
50028591	12	ChEMBL_500739 (CHEMBL970518)	Inhibition of PDE7a
50028591	13	ChEMBL_500740 (CHEMBL970519)	Inhibition of PDE7b
50028591	14	ChEMBL_500741 (CHEMBL970520)	Inhibition of PDE8a
50028591	6	ChEMBL_500742 (CHEMBL970521)	Inhibition of PDE8b
50028592	2	ChEMBL_500746 (CHEMBL970525)	Inhibition of ASIC3 assessed as inhibition of peak current by patch clamp electrophysiology
50028592	1	ChEMBL_500747 (CHEMBL970526)	Inhibition of rat ASIC3 assessed as inhibition of peak current by patch clamp electrophysiology
50046966	6	ChEBML_1547637	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level in presence of AITC
50046934	3	ChEMBL_1550368 (CHEMBL3761557)	Inhibition of EGFR (unknown origin) by Z -LYTE assay
50046966	7	ChEBML_1547471	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase of intracellular calcium level
50046932	2	ChEMBL_1547923 (CHEMBL3757140)	Inhibition of human Nampt using NAM as substrate after 15 mins by fluorometric method
50046967	1	ChEBML_1547930	Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis
50046933	3	ChEBML_1549109	Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50046933	4	ChEBML_1549108	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50046933	2	ChEBML_1549111	Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay
50046934	2	ChEBML_1550368	Inhibition of EGFR (unknown origin) by Z -LYTE assay
50046936	10	ChEBML_1552405	Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 mins followed by substrate addition by HPLC-MS analysis
50028596	1	ChEMBL_500937 (CHEMBL971452)	Inhibition of human recombinant CYP2D6
50028596	2	ChEMBL_500938 (CHEMBL971453)	Inhibition of human recombinant CYP1A2
50028596	4	ChEMBL_500936 (CHEMBL971451)	Inhibition of human Nav1.6 expressed in HEK293 cells assessed as change in membrane potential using MP-red voltage sensitive dye
50028596	3	ChEMBL_500935 (CHEMBL971450)	Inhibition of human recombinant CYP3A4
50028599	1	ChEMBL_500940 (CHEMBL972368)	Inhibition of recombinant wild-type MAOA from human liver expressed in Pichia pastoris
50028599	2	ChEMBL_500941 (CHEMBL972369)	Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastoris
50046940	4	ChEBML_1551175	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	5	ChEBML_1551177	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	6	ChEBML_1551178	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	3	ChEBML_1551176	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50028610	1	ChEMBL_501421 (CHEMBL994680)	Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay
50028612	1	ChEMBL_502029 (CHEMBL981240)	Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA
50028613	5	ChEMBL_502053 (CHEMBL981264)	Inhibition of rat liver FBPase
50046968	1	ChEMBL_1547641 (CHEMBL3755511)	Inhibition of equine serum BChE using BTC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman method
50046968	2	ChEMBL_1547640 (CHEMBL3755510)	Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman method
50046968	3	ChEMBL_1547639 (CHEMBL3755509)	Mixed-type inhibition of electric eel AChE using ATC as substrate assessed as hydrolysis of ATC preincubated with protein for 15 mins followed by substrate addition by Lineweaver-Burk plot analysis
50046969	1	ChEMBL_1547654 (CHEMBL3755705)	Agonist activity at rat brain CaSR expressed in CHO cells assessed as inositol phosphate production in presence of 3 mM extracellular Ca2+ by IP-one assay
50046970	1	ChEMBL_1547658 (CHEMBL3755709)	Inhibition of full length C-terminal GST-tagged human HDAC1 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50046970	2	ChEMBL_1547659 (CHEMBL3755710)	Inhibition of full length C-terminal His-tagged human HDAC2 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50028613	3	ChEMBL_502057 (CHEMBL981268)	Inhibition of rabbit muscle adenylate kinase
50028613	4	ChEMBL_502056 (CHEMBL981267)	Inhibition of human recombinant adenosine kinase expressed in Escherichia coli
50028613	1	ChEMBL_502059 (CHEMBL981270)	Inhibition of rabbit muscle glycogen phosphorylase
50046970	3	ChEMBL_1547660 (CHEMBL3755711)	Inhibition of full length C-terminal His-tagged human HDAC3 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50028615	4	ChEMBL_502081 (CHEMBL983206)	Agonist activity at PPARdelta by luciferase reporter transactivation assay
50028615	5	ChEMBL_502100 (CHEMBL983225)	Agonist activity at rat PPARalpha
50028615	6	ChEMBL_502101 (CHEMBL983226)	Agonist activity at mouse PPARalpha
50028615	7	ChEMBL_502069 (CHEMBL983194)	Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from GST-fused human PPARalpha expressed in Escherichia coli BL21 cells
50028615	1	ChEMBL_502070 (CHEMBL983195)	Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from GST-fused human PPARgamma expressed in Escherichia coli BL21 cells by scintillation proximity assay
50028615	2	ChEMBL_502071 (CHEMBL983196)	Agonist activity at human PPARalpha by luciferase reporter transactivation assay
50028615	3	ChEMBL_502072 (CHEMBL983197)	Agonist activity at human PPARgamma expressed in BHK21 cells assessed as SEAP activity by luciferase reporter transactivation assay
50046970	4	ChEMBL_1547661 (CHEMBL3755712)	Inhibition of N-terminal GST-tagged human HDAC4 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader analysis
50046970	5	ChEMBL_1547662 (CHEMBL3755713)	Inhibition of full length N-terminal GST-tagged human HDAC5 expressed in Sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader analysis
50046970	6	ChEMBL_1547663 (CHEMBL3755714)	Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50046970	7	ChEMBL_1547664 (CHEMBL3755715)	Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader analysis
50046970	8	ChEMBL_1547665 (CHEMBL3755716)	Inhibition of full length human HDAC8 expressed in Escherichia coli using (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by plate reader analysis
50046970	9	ChEMBL_1547666 (CHEMBL3755717)	Inhibition of C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by plate reader analysis
50028619	1	ChEMBL_545686 (CHEMBL1034368)	Inhibition of rat 4-hydroxyphenylpyruvate dioxygenase
50028622	3	ChEMBL_497993 (CHEMBL1000259)	Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin
50028622	1	ChEMBL_501452 (CHEMBL994712)	Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in presence of human serum albumin
50028622	9	ChEMBL_501453 (CHEMBL994713)	Binding affinity to human NK2 receptor
50028622	7	ChEMBL_501454 (CHEMBL994714)	Binding affinity to human NK3 receptor
50028622	10	ChEMBL_501481 (CHEMBL984120)	Inhibition of human CYP3A4
50028622	5	ChEMBL_501482 (CHEMBL984121)	Inhibition of human CYP2C8
50028622	4	ChEMBL_501483 (CHEMBL984122)	Inhibition of human CYP2C9
50028622	8	ChEMBL_501484 (CHEMBL984123)	Inhibition of human CYP2C19
50028622	6	ChEMBL_501485 (CHEMBL984124)	Inhibition of human CYP2D6
50028622	2	ChEMBL_501486 (CHEMBL984125)	Inhibition of human CYP1A2
50028623	1	ChEMBL_501487 (CHEMBL984126)	Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry
50028623	2	ChEMBL_501488 (CHEMBL984127)	Binding affinity to human PARP1 by isothermal titration colorimetry
50028623	3	ChEMBL_501491 (CHEMBL984130)	Binding affinity to human PARP1
50028623	4	ChEMBL_501492 (CHEMBL984131)	Inhibition of human PARP1
50028624	2	ChEMBL_545688 (CHEMBL1034370)	Displacement of fluorescein-labeled estradiol from human recombinant ERalpha by fluorescence polarization assay
50028624	1	ChEMBL_545689 (CHEMBL1034371)	Displacement of fluorescein-labeled estradiol from human recombinant ERbeta by fluorescence polarization assay
50028625	8	ChEMBL_501532 (CHEMBL984172)	Inhibition of Abl
50028625	10	ChEMBL_501533 (CHEMBL984173)	Inhibition of bRaf
50028625	3	ChEMBL_501534 (CHEMBL984174)	Inhibition of craf
50028625	2	ChEMBL_501536 (CHEMBL984176)	Inhibition of ECK
50028625	1	ChEMBL_501537 (CHEMBL984177)	Inhibition of EGFR
50028625	4	ChEMBL_501539 (CHEMBL984179)	Inhibition of HEK
50028625	6	ChEMBL_501540 (CHEMBL984180)	Inhibition of JNK2alpha2 by by exchange curve binding kinetic analysis
50028625	9	ChEMBL_501541 (CHEMBL984181)	Inhibition of Lyn
50028625	7	ChEMBL_501543 (CHEMBL984183)	Inhibition of PKBalpha/Akt1
50028625	11	ChEMBL_501500 (CHEMBL984139)	Binding affinity to p38alpha assessed as inhibition of ATF2 phosphorylation preincubated for 4 hrs
50028625	5	ChEMBL_501498 (CHEMBL984137)	Binding affinity to p38alpha by exchange curve binding kinetic analysis
50028628	1	ChEMBL_501549 (CHEMBL986816)	Inhibition of human Thr160-phospho CDK2/CyclinA
50046970	10	ChEMBL_1547667 (CHEMBL3755718)	Inhibition of N-terminal GST-tagged human HDAC10 expressed in Sf9 cells using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50046970	11	ChEMBL_1547668 (CHEMBL3755719)	Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression system using (Arg-His-Lys-Lys(Ac)) as substrate by plate reader analysis
50046970	12	ChEMBL_1547669 (CHEMBL3755720)	Inhibition of human recombinant MMP1 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	13	ChEMBL_1547670 (CHEMBL3755721)	Inhibition of human recombinant MMP1 expressed in yeast using (5-FAM/QXLTM) FRET peptide as substrate
50046970	14	ChEMBL_1547671 (CHEMBL3755722)	Inhibition of human recombinant MMP3 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	15	ChEMBL_1547673 (CHEMBL3755724)	Inhibition of human recombinant MMP7 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	16	ChEMBL_1547674 (CHEMBL3755725)	Inhibition of human recombinant MMP8 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	17	ChEMBL_1547675 (CHEMBL3755726)	Inhibition of human recombinant MMP9 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	18	ChEMBL_1547676 (CHEMBL3755727)	Inhibition of human recombinant MMP10 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	19	ChEMBL_1547677 (CHEMBL3755728)	Inhibition of human recombinant MMP12 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	20	ChEMBL_1547678 (CHEMBL3755729)	Inhibition of human recombinant MMP13 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	21	ChEMBL_1547679 (CHEMBL3755730)	Inhibition of human recombinant MMP14 expressed in Escherichia coli using (5-FAM/QXLTM) FRET peptide as substrate
50046970	22	ChEMBL_1547680 (CHEMBL3755731)	Inhibition of human recombinant TACE expressed in Sf21 cells using MCA-PLAQAV-Dpa-RSSSR-NH2 as substrate
50046971	1	ChEMBL_1547890 (CHEMBL3756967)	Binding affinity to integrin alpha5/beta1 heterodimer (unknown origin)
50046971	2	ChEMBL_1547889 (CHEMBL3756966)	Binding affinity to integrin alphav/beta3 heterodimer (unknown origin) assessed as inhibition of integrin-mediated cell adhesion to vitronectin
50046971	3	ChEMBL_1547888 (CHEMBL3756965)	Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitronectin after 1 hr in presence of MnCl2
50046971	4	ChEMBL_1547887 (CHEMBL3756814)	Binding affinity to integrin alpha5/beta1 heterodimer in human K562 cells assessed as inhibition of integrin-mediated human K562 cell adhesion to fibronectin incubated for 30 mins in presence of MnCl2
50046971	5	ChEMBL_1547886 (CHEMBL3756813)	Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitronectin incubated for 30 mins in presence of MnCl2
50046972	1	ChEMBL_1547892 (CHEMBL3756969)	Inhibition of KDR (unknown origin) incubated for 1 hr assessed as luminescence changes using ATP by ADP-Glo Kinase assay
50046972	2	ChEMBL_1547893 (CHEMBL3756970)	Inhibition of FGFR1 (unknown origin) incubated for 1 hr assessed as luminescence changes using ATP by ADP-Glo Kinase assay
50046972	3	ChEMBL_1547891 (CHEMBL3756968)	Inhibition of EGFR (unknown origin) incubated for 1 hr assessed as luminescence changes using ATP by ADP-Glo Kinase assay
50046973	1	ChEMBL_1547896 (CHEMBL3756973)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometric method
50028631	1	ChEMBL_498888 (CHEMBL972482)	Binding affinity to full-length human estrogen receptor alpha
50028631	2	ChEMBL_498889 (CHEMBL972483)	Binding affinity to full-length human estrogen receptor beta
50046967	3	ChEMBL_1547930 (CHEMBL3757147)	Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric acid by spectroscopic analysis
50046967	2	ChEMBL_1547933 (CHEMBL3757150)	Inhibition of xanthine oxidase (unknown origin)
50046974	1	ChEMBL_1548130 (CHEMBL3754932)	Inhibition of BCL-xL-BH3 domain (unknown origin) interaction
50046974	2	ChEMBL_1548129 (CHEMBL3754931)	Binding affinity to MDM2 (unknown origin)
50046974	3	ChEMBL_1547936 (CHEMBL3757153)	Binding affinity to ERalpha (unknown origin)
50046975	1	ChEMBL_1548142 (CHEMBL3754944)	Antagonist activity at EP4 receptor in LPS-stimulated human whole blood assessed as inhibition of PGE2-induced TNF-alpha release pretreated for 30 mins followed by addition of PGE2 measured after 20 to 24 hrs by immunoassay
50046975	2	ChEMBL_1548155 (CHEMBL3754957)	Binding affinity to human EP1 receptor
50046975	3	ChEMBL_1548156 (CHEMBL3754958)	Binding affinity to human EP2 receptor
50046975	4	ChEMBL_1548157 (CHEMBL3754959)	Binding affinity to human EP3 receptor
50046975	5	ChEMBL_1548158 (CHEMBL3754960)	Inhibition of CYP1A2 (unknown origin)
50046975	6	ChEMBL_1548159 (CHEMBL3754961)	Inhibition of CYP2B6 (unknown origin)
50046975	7	ChEMBL_1548140 (CHEMBL3754942)	Inhibition of CYP2C19 (unknown origin)
50046975	8	ChEMBL_1548136 (CHEMBL3754938)	Inhibition of CYP2C8 (unknown origin)
50028634	1	ChEMBL_498900 (CHEMBL972494)	Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50046975	9	ChEMBL_1548141 (CHEMBL3754943)	Inhibition of CYP2C9 (unknown origin)
50028634	3	ChEMBL_498896 (CHEMBL972490)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50046975	10	ChEMBL_1548138 (CHEMBL3754940)	Inhibition of CYP2D6 (unknown origin)
50028637	1	ChEMBL_498925 (CHEMBL975366)	Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis
50028637	2	ChEMBL_498923 (CHEMBL975364)	Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 assessed as residual activity
50028638	5	ChEMBL_498934 (CHEMBL976241)	Inhibition of human carbonic anhydrase 2 by Lineweaver-Burke plot
50028638	6	ChEMBL_498933 (CHEMBL976240)	Inhibition of human carbonic anhydrase 1 by Lineweaver-Burke plot
50028638	4	ChEMBL_498931 (CHEMBL975372)	Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method
50028638	3	ChEMBL_498930 (CHEMBL975371)	Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method
50028638	1	ChEMBL_498929 (CHEMBL975370)	Inhibition of CO2-hydratase activity of human carbonic anhydrase 2 by CO2 hydration method
50028638	2	ChEMBL_498928 (CHEMBL975369)	Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method
50028639	1	ChEMBL_498939 (CHEMBL976246)	Inhibition of cathepsin G
50028641	1	ChEMBL_499127 (CHEMBL1011401)	Inhibition of xanthine oxidase assessed as formation of formazan at 16 ug/ml after 2 hrs by spectrophotometry
50028645	1	ChEMBL_499143 (CHEMBL1011417)	Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophoresis
50046975	11	ChEMBL_1548139 (CHEMBL3754941)	Inhibition of CYP3A4 (unknown origin)
50046975	12	ChEMBL_1548137 (CHEMBL3754939)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 1 hr by HTRF assay
50028646	6	ChEMBL_499162 (CHEMBL1011436)	Inhibition of ROCK1
50028646	14	ChEMBL_499163 (CHEMBL1011437)	Inhibition of RSK1
50028646	11	ChEMBL_499164 (CHEMBL1011438)	Inhibition of SRC
50028646	1	ChEMBL_499147 (CHEMBL1011421)	Inhibition of CYP2D6
50028646	15	ChEMBL_499154 (CHEMBL1011428)	Inhibition of CK1-gamma1
50028646	12	ChEMBL_499155 (CHEMBL1011429)	Inhibition of ERK2
50028646	9	ChEMBL_499156 (CHEMBL1011430)	Inhibition of FYN
50028646	2	ChEMBL_499158 (CHEMBL1011432)	Inhibition of p38alpha
50028646	3	ChEMBL_499159 (CHEMBL1011433)	Inhibition of PDGFRalpha
50028646	10	ChEMBL_499146 (CHEMBL1011420)	Inhibition of human recombinant MK2
50028646	5	ChEMBL_499144 (CHEMBL1011418)	Inhibition of CYP3A4
50028646	13	ChEMBL_499145 (CHEMBL1011419)	Inhibition of CYP2C9
50028647	3	ChEMBL_497791 (CHEMBL1007087)	Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50028647	1	ChEMBL_497789 (CHEMBL1007085)	Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50046976	1	ChEMBL_1548422 (CHEMBL3756407)	Inhibition of PI3Kalpha in human A2780 cells assessed as reduction of AKT phosphorylation at Ser473 after 1 hr
50028647	4	ChEMBL_497812 (CHEMBL1007108)	Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay
50028650	1	ChEMBL_497843 (CHEMBL1003026)	Inhibition of mouse recombinant GARFTase
50046976	2	ChEMBL_1548421 (CHEMBL3756406)	Inhibition of PI3Kdelta (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay
50028650	2	ChEMBL_497844 (CHEMBL1003027)	Inhibition of GARFTase in human KB cells assessed as inhibition of incorporation of [14C]glycine into [14C]formyl GAR after 30 mins in presence of azaserine
50046976	3	ChEMBL_1548420 (CHEMBL3756405)	Inhibition of PI3Kgamma (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay
50028653	1	ChEMBL_497898 (CHEMBL1003707)	Binding affinity to urotensin-2 receptor
50028656	1	ChEMBL_498030 (CHEMBL1000233)	Inhibition of PPARalpha receptor
50028656	2	ChEMBL_498031 (CHEMBL1000234)	Agonist activity at PPARalpha receptor
50046976	4	ChEMBL_1548419 (CHEMBL3756404)	Inhibition of PI3Kbeta (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay
50046976	5	ChEMBL_1548418 (CHEMBL3756403)	Inhibition of PI3Kalpha (unknown origin) using 1 alpha-phosphatidylinositol as substrate assessed as ATP depletion after 5 mins by KinaseGlo assay
50028657	2	ChEMBL_498034 (CHEMBL1000237)	Displacement of [3H]PDBu form human PKCbeta in presence of phosphatidylserine
50028657	3	ChEMBL_498035 (CHEMBL1000238)	Displacement of [3H]PDBu form human PKCgamma in presence of phosphatidylserine
50028657	10	ChEMBL_498036 (CHEMBL1000239)	Displacement of [3H]PDBu form human PKCdelta in presence of phosphatidylserine
50028657	9	ChEMBL_498037 (CHEMBL1000240)	Displacement of [3H]PDBu form human PKCepsilon in presence of phosphatidylserine
50046976	6	ChEMBL_1548602 (CHEMBL3757421)	Inhibition of IRAK4 (unknown origin)
50046976	7	ChEMBL_1548603 (CHEMBL3757422)	Inhibition of PDGFRalpha (unknown origin)
50046977	1	ChEMBL_1548613 (CHEMBL3757432)	Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting
50028660	1	ChEMBL_499185 (CHEMBL1012375)	Inhibition of human carbonic anhydrase 2
50028662	5	ChEMBL_498144 (CHEMBL1007916)	Inhibition of human ELOVL6 expressed in african green monkey COS7 cells assessed as palmitoyl-CoA elongation
50028662	7	ChEMBL_498145 (CHEMBL1007917)	Inhibition of human ELOVL3 expressed in african green monkey COS7 cells assessed as stearoyl-CoA elongation
50028662	2	ChEMBL_498146 (CHEMBL1007918)	Inhibition of human ELOVL1 expressed in african green monkey COS7 cells
50028662	1	ChEMBL_498147 (CHEMBL1007919)	Inhibition of human ELOVL2 expressed in african green monkey COS7 cells
50028662	4	ChEMBL_498148 (CHEMBL1007920)	Inhibition of human ELOVL5 expressed in african green monkey COS7 cells
50028662	3	ChEMBL_498149 (CHEMBL1007921)	Inhibition of mouse ELOVL6 expressed in african green monkey COS7 cells
50028662	6	ChEMBL_498150 (CHEMBL1007922)	Inhibition of mouse ELOVL3 expressed in african green monkey COS7 cells
50028668	4	ChEMBL_499366 (CHEMBL1015818)	Inhibition of rat microsomal delta-(9)-desaturase
50028668	3	ChEMBL_499367 (CHEMBL1015819)	Inhibition of delta-(9)-desaturase from human HepG2 cells
50028668	1	ChEMBL_499369 (CHEMBL1015821)	Inhibition of delta-(6)-desaturase in mouse ABMC7 cells by high throughput radioassay
50028668	2	ChEMBL_499368 (CHEMBL1015820)	Inhibition of delta-(5)-desaturase in mouse ABMC7 cells by high throughput radioassay
50028669	3	ChEMBL_499389 (CHEMBL1015841)	Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50028669	2	ChEMBL_499392 (CHEMBL1015844)	Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50028669	1	ChEMBL_499394 (CHEMBL1015846)	Agonist activity at human cloned adrenergic alpha2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay
50046977	2	ChEMBL_1548619 (CHEMBL3757619)	Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membrane
50046977	3	ChEMBL_1548614 (CHEMBL3757433)	Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting
50028669	4	ChEMBL_499391 (CHEMBL1015843)	Agonist activity at human cloned adrenergic Alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50046978	1	ChEMBL_1548620 (CHEMBL3757620)	Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay
50028670	1	ChEMBL_499406 (CHEMBL1015858)	Inhibition of LCK
50028674	1	ChEMBL_499575 (CHEMBL1025443)	Inhibition of human Nav1.2 channel expressed in HEK cells by patch-clamp electrophysiology method
50028680	1	ChEMBL_499620 (CHEMBL972418)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis
50028683	3	ChEMBL_498202 (CHEMBL980734)	Inhibition of human recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109
50028683	6	ChEMBL_498205 (CHEMBL980737)	Inhibition of 20-alpha HSD
50028683	5	ChEMBL_498205 (CHEMBL980737)	Inhibition of 20-alpha HSD (unknown origin)
50046979	1	ChEMBL_1548641 (CHEMBL3757641)	Inhibition of PGES-1 in IL-1beta stimulated human A549 cell microsomes using PGH2 as substrate assessed as suppression of PGE2 formation preincubated for 15 mins followed by substrate addition by reversed phase-HPLC analysis
50046980	1	ChEMBL_1548653 (CHEMBL3757653)	Reduction of amplitude effect of PER2 in human U2OS cells harboring Per2-dLuc luciferase reporter gene assessed as effects on circadian rhythms
50028691	2	ChEMBL_498348 (CHEMBL1020203)	Inhibition of DNA topoisomerase 1 in mouse P388/S cells assessed as formation of topoisomerase 1-DNA complex by proteinase K/SDS method
50028691	1	ChEMBL_498349 (CHEMBL1020204)	Inhibition of human DNA topoisomerase 1-mediated DNA cleavage assessed as relaxation of supercoiled pBR322 plasmid DNA after 15 mins by densitometer
50028691	3	ChEMBL_498355 (CHEMBL1020210)	Inhibition of EGFR
50028692	1	ChEMBL_499826 (CHEMBL972458)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells by patch-clamp electrophysiology method
50046981	1	ChEMBL_1548834 (CHEMBL3755390)	Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lactate dehydrogenase enzyme linked assay
50046981	2	ChEMBL_1548836 (CHEMBL3755392)	Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPase activity isolated from human hepatocellular carcinoma cells by pyruvate kinase/lactate dehydrogenase enzyme linked assay
50046982	1	ChEMBL_1548867 (CHEMBL3755571)	Inhibition of recombinant human CK2alpha using RRRDDDSDDD substrate peptide by scintillation counter in presence of [32P]ATP
50028694	1	ChEMBL_499843 (CHEMBL972475)	Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake
50028697	2	ChEMBL_499866 (CHEMBL976198)	Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter
50028697	3	ChEMBL_499867 (CHEMBL976199)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HeLa cells by beta scintillation counter
50028697	4	ChEMBL_499869 (CHEMBL976201)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by beta scintillation counter
50028697	1	ChEMBL_499870 (CHEMBL976202)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HeLa cells by beta scintillation counter
50028701	1	ChEMBL_498540 (CHEMBL973516)	Inhibition of GluT1-mediated [14C]D-glucose uptake in Wistar rat brain by perfusion technique
50028702	2	ChEMBL_498571 (CHEMBL1021070)	Inhibition of human MDR1 expressed in HEK cells assessed as [3H]vinblastine transport after 2.5 mins by scintillation count
50028702	3	ChEMBL_498556 (CHEMBL974429)	Inhibition of verapamil-stimulated ATPase activity of human histidine10-tagged MDR1 expressed in BHK cells
50028702	4	ChEMBL_498569 (CHEMBL1021068)	Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured after 20 mins
50028702	1	ChEMBL_498553 (CHEMBL974426)	Inhibition of verapamil-stimulated ATPase activity of mouse cysteine-less MDR3
50046983	1	ChEMBL_1549064 (CHEMBL3756857)	Inhibition of human 5alpha-2 reductase expressed in HEK293 cells assessed as suppression of conversion of [3]androstenedione incubated for 30 mins by radioactivity-based HPLC analysis
50028706	3	ChEMBL_500271 (CHEMBL969606)	Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in thymidine kinase-deficient mouse LM cells
50028706	2	ChEMBL_500270 (CHEMBL969605)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cells
50028706	1	ChEMBL_500274 (CHEMBL969609)	Binding affinity to MCHR2
50046983	2	ChEMBL_1549079 (CHEMBL3756872)	Inhibition of human 5alpha-1 reductase expressed in HEK293 cells assessed as suppression of conversion of [3]androstenedione incubated for 30 mins by radioactivity-based HPLC analysis
50046933	5	ChEMBL_1549111 (CHEMBL3757059)	Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay
50046933	6	ChEMBL_1549109 (CHEMBL3757057)	Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50046933	7	ChEMBL_1549108 (CHEMBL3757056)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50046984	1	ChEMBL_1549296 (CHEMBL3758001)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured every 1 min for 20 mins by spectrophotometric assay
50046985	1	ChEMBL_1551243 (CHEMBL3761952)	Inhibition of human acetylcholinesterase after 30 mins by microplate reader-based Ellman's method
50046986	1	ChEMBL_1552954 (CHEMBL3760238)	Inhibition of recombinant human HDAC6 after 15 mins by fluorescence assay
50046986	2	ChEMBL_1552952 (CHEMBL3760236)	Inhibition of recombinant human HDAC2 after 15 mins by fluorescence assay
50046986	3	ChEMBL_1552953 (CHEMBL3760237)	Inhibition of recombinant human HDAC3 after 15 mins by fluorescence assay
50028712	1	ChEMBL_500315 (CHEMBL973407)	Binding affinity to OX1 receptor
50028712	2	ChEMBL_500316 (CHEMBL973408)	Binding affinity to OX2 receptor
50046986	4	ChEMBL_1551263 (CHEMBL3762114)	Inhibition of HDAC2 (unknown origin)
50046986	5	ChEMBL_1551264 (CHEMBL3762115)	Inhibition of HDAC3 (unknown origin)
50046986	6	ChEMBL_1551265 (CHEMBL3762116)	Inhibition of HDAC6 (unknown origin)
50046986	7	ChEMBL_1551259 (CHEMBL3761968)	Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis
50028718	5	ChEMBL_500762 (CHEMBL970541)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from NPC1L1 in rat enterocyte brush border membrane
50028718	2	ChEMBL_500765 (CHEMBL970544)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from NPC1L1 in dog enterocyte brush border membrane
50028718	1	ChEMBL_500766 (CHEMBL970545)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from NPC1L1 in rhesus monkey enterocyte brush border membrane
50028719	6	ChEMBL_500771 (CHEMBL970550)	Inhibition of C-terminal FLAG tagged HDAC1
50028719	1	ChEMBL_500776 (CHEMBL971455)	Inhibition of C-terminal FLAG tagged HDAC2
50028719	2	ChEMBL_500777 (CHEMBL971457)	Inhibition of C-terminal FLAG tagged HDAC3
50028719	3	ChEMBL_500778 (CHEMBL973439)	Inhibition of His-tagged HDAC4 catalytic domain expressed in Escherichia coli
50028719	4	ChEMBL_500779 (CHEMBL973440)	Inhibition of C-terminal FLAG tagged HDAC6
50028719	5	ChEMBL_500780 (CHEMBL973441)	Inhibition of His-tagged HDAC8 catalytic domain expressed in Escherichia coli
50028720	2	ChEMBL_500797 (CHEMBL974378)	Agonist activity at human FXR assessed as SRC1 peptide interaction with receptor ligand binding domain by FRET assay
50028720	3	ChEMBL_500794 (CHEMBL974375)	Agonist activity at human FXR transfected in african green monkey CV1 cells by luciferase reporter gene transient transfection assay
50028720	1	ChEMBL_500795 (CHEMBL974376)	Agonist activity at human FXR assessed as SRC1 coactivator peptide recruitment by cell free FRET assay
50028722	6	ChEMBL_545894 (CHEMBL1035210)	Inhibition of TACE by FRET assay
50028722	1	ChEMBL_545898 (CHEMBL1035214)	Inhibition of MMP2 by FLIPR assay
50028722	3	ChEMBL_545899 (CHEMBL1035215)	Inhibition of MMP13 by FLIPR assay
50028722	5	ChEMBL_545901 (CHEMBL1035217)	Inhibition of TACE in mouse Raw264.7 cells assessed as inhibition of LPS-induced TNFalpha production treated 1 hr before LPS challenge measured 4 hrs post LPS challenge
50028722	2	ChEMBL_545897 (CHEMBL1035213)	Inhibition of MMP1 by FLIPR assay
50028725	2	ChEMBL_498612 (CHEMBL966958)	Agonist activity at human recombinant PAC1 receptor expressed in CHO cells assessed as PACAP38-induced calcium mobilization by FLIPR assay
50028725	3	ChEMBL_498613 (CHEMBL966959)	Agonist activity at human recombinant PAC1 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay
50028725	1	ChEMBL_498611 (CHEMBL966957)	Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed in CHO cells by gamma- counter
50028726	1	ChEMBL_500824 (CHEMBL974405)	Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)
50028727	5	ChEMBL_500013 (CHEMBL1022925)	Inhibition of Pim1 assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotometric assay
50028727	10	ChEMBL_500035 (CHEMBL1025483)	Inhibition of SYK
50028727	12	ChEMBL_500034 (CHEMBL1025482)	Inhibition of SRC
50028727	3	ChEMBL_500032 (CHEMBL1025480)	Inhibition of PLK1
50028727	6	ChEMBL_500031 (CHEMBL1025479)	Inhibition of PKCtheta
50028727	15	ChEMBL_500029 (CHEMBL1025477)	Inhibition of p38alpha
50028727	20	ChEMBL_500028 (CHEMBL1025476)	Inhibition of MET
50028727	18	ChEMBL_500027 (CHEMBL1025475)	Inhibition of MAP3K7
50028727	11	ChEMBL_500026 (CHEMBL1025474)	Inhibition of KDR
50028727	13	ChEMBL_500025 (CHEMBL1025473)	Inhibition of JNK3
50028727	8	ChEMBL_500024 (CHEMBL1025472)	Inhibition of JAK3
50028727	9	ChEMBL_500023 (CHEMBL1025471)	Inhibition of JAK2
50028727	4	ChEMBL_500022 (CHEMBL1025470)	Inhibition of ITK
50028727	7	ChEMBL_500021 (CHEMBL970459)	Inhibition of IRAK4
50028727	2	ChEMBL_500020 (CHEMBL970458)	Inhibition of GSK3-beta
50028727	19	ChEMBL_500019 (CHEMBL1022931)	Inhibition of FLT3
50028727	17	ChEMBL_500018 (CHEMBL1022930)	Inhibition of ERK2
50028727	16	ChEMBL_500017 (CHEMBL1022929)	Inhibition of COT
50028727	14	ChEMBL_500016 (CHEMBL1022928)	Inhibition of CDK2
50028727	1	ChEMBL_500015 (CHEMBL1022927)	Inhibition of Aurora 2
50028730	4	ChEMBL_500044 (CHEMBL970447)	Agonist activity at human adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50028730	2	ChEMBL_500046 (CHEMBL970449)	Agonist activity at human adrenergic Alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50028730	3	ChEMBL_500048 (CHEMBL970451)	Agonist activity at human adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50028730	1	ChEMBL_500050 (CHEMBL970453)	Inhibition of adrenergic alpha2A receptor
50028732	1	ChEMBL_545942 (CHEMBL1024277)	Inhibition of bovine pancreatic carboxypeptidase A by microtiter plate method
50028732	2	ChEMBL_545943 (CHEMBL1024278)	Inhibition of human recombinant carboxypeptidase B expressed in Saccharomyces cerevisiae by microtiter plate method
50028733	5	ChEMBL_498649 (CHEMBL967815)	Inhibition of CYP3A4
50028733	3	ChEMBL_498650 (CHEMBL967816)	Inhibition of CYP2C9
50028733	4	ChEMBL_498651 (CHEMBL967817)	Inhibition of CYP2D6
50028733	2	ChEMBL_498652 (CHEMBL967818)	Displacement of [3H]dofetilide from human ERG channel
50028733	1	ChEMBL_498653 (CHEMBL967819)	Inhibition of human ERG channel
50028733	6	ChEMBL_498620 (CHEMBL966966)	Allosteric modulator activity at alpha7 nAChR in human IMR32 cells assessed as stimulation of agonist-induced intracellular calcium level by FLIPR assay
50028737	3	ChEMBL_498745 (CHEMBL1021937)	Inhibition of human recombinant HDAC1 by fluorimetry
50028737	1	ChEMBL_498746 (CHEMBL1021938)	Inhibition of human recombinant HDAC2 by fluorimetry
50028737	2	ChEMBL_498747 (CHEMBL1021939)	Inhibition of human recombinant HDAC8 by fluorimetry
50028737	4	ChEMBL_498748 (CHEMBL1021940)	Inhibition of human recombinant HDAC6 by fluorimetry
50046987	1	ChEMBL_1551285 (CHEMBL3762136)	Inhibition of wild type EGFR (unknown origin)
50046987	2	ChEMBL_1551286 (CHEMBL3762137)	Inhibition of EGFR L858R mutant (unknown origin)
50046987	3	ChEMBL_1551287 (CHEMBL3762138)	Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)
50046987	4	ChEMBL_1551288 (CHEMBL3762139)	Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)
50046987	5	ChEMBL_1551826 (CHEMBL3761494)	Inhibition of EGFR T790M/L858R mutant autophosphorylation in human H1975 cells
50046987	6	ChEMBL_1551276 (CHEMBL3762127)	Inhibition of EGFR T790M/L858R mutant (unknown origin)
50046988	1	ChEMBL_1551867 (CHEMBL3761659)	Inhibition of human ERG expressed in CHO cells by patch plate method
50046989	1	ChEMBL_1551982 (CHEMBL3762360)	Inhibition of MMP-3 (unknown origin)
50046989	2	ChEMBL_1551981 (CHEMBL3762359)	Inhibition of caspase-1 (unknown origin)
50046936	19	ChEMBL_1552405 (CHEMBL3760805)	Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 mins followed by substrate addition by HPLC-MS analysis
50046936	13	ChEMBL_1552410 (CHEMBL3760810)	Inhibition of recombinant human AKT for 60 mins by ELISA
50046936	18	ChEMBL_1552408 (CHEMBL3760808)	Inhibition of recombinant human MAO-B after 60 mins MAO-glo assay
50046936	14	ChEMBL_1552406 (CHEMBL3760806)	Competitive inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using 2 to 100 uM dimethylated H3K4 peptide substrate by Lineweaver-Burk plot analysis
50046936	16	ChEMBL_1552407 (CHEMBL3760807)	Inhibition of recombinant human MAO-A after 60 mins MAO-glo assay
50028740	2	ChEMBL_500524 (CHEMBL970496)	Inhibition of ovine COX1 by enzyme immunoassay
50028740	3	ChEMBL_500525 (CHEMBL970497)	Inhibition of ovine COX2 by enzyme immunoassay
50028740	1	ChEMBL_500526 (CHEMBL970498)	Inhibition of human COX2 by enzyme immunoassay
50028742	2	ChEMBL_500547 (CHEMBL971412)	Inhibition of human recombinant HDAC6
50028742	4	ChEMBL_500548 (CHEMBL971413)	Inhibition of human recombinant HDAC2
50028742	5	ChEMBL_500549 (CHEMBL971414)	Inhibition of human recombinant HDAC10
50028742	3	ChEMBL_500545 (CHEMBL971410)	Inhibition of human recombinant HDAC1
50028742	1	ChEMBL_500546 (CHEMBL971411)	Inhibition of human recombinant HDAC3
50046936	17	ChEMBL_1552419 (CHEMBL3760819)	Inhibition of rat MAO-B using benzylamine as substrate
50046936	12	ChEMBL_1552420 (CHEMBL3760820)	Inhibition of LSD1 (unknown origin)
50028743	8	ChEMBL_500558 (CHEMBL971423)	Inhibition of human PXR
50028743	5	ChEMBL_500560 (CHEMBL971425)	Inhibition of CYP3A4 expressed in human hepatocytes
50028743	6	ChEMBL_500561 (CHEMBL971426)	Inhibition of CYP2C9 expressed in human hepatocytes
50028743	1	ChEMBL_500562 (CHEMBL971427)	Inhibition of CYP2C19 expressed in human hepatocytes
50028743	2	ChEMBL_500563 (CHEMBL971428)	Inhibition of CYP2D6 expressed in human hepatocytes
50028743	3	ChEMBL_500564 (CHEMBL971429)	Inhibition of PRMT1 by methylation assay
50028744	1	ChEMBL_500569 (CHEMBL971434)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosphate production by scintillation proximity assay
50046936	15	ChEMBL_1552418 (CHEMBL3760818)	Inhibition of rat MAO-A using serotonin as substrate incubated for 1 hr
50046936	11	ChEMBL_1552412 (CHEMBL3760812)	Covalent inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 mins followed by substrate addition by HPLC-MS analysis
50046990	1	ChEMBL_1552422 (CHEMBL3761673)	Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis
50046990	2	ChEMBL_1552423 (CHEMBL3761674)	Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta by EIA method
50028748	1	ChEMBL_545971 (CHEMBL1025125)	Inhibition of COX2
50028751	8	ChEMBL_523350 (CHEMBL1006686)	Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate
50028751	3	ChEMBL_523626 (CHEMBL997997)	Displacement of [3H]zacopride from 5HT3 receptor in rat cortex
50028751	7	ChEMBL_523351 (CHEMBL1006687)	Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus
50028751	6	ChEMBL_523352 (CHEMBL1006688)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex
50028751	5	ChEMBL_523353 (CHEMBL1006689)	Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum
50028751	4	ChEMBL_523355 (CHEMBL1006691)	Displacement of [3H]RX821002 from adrenergic alpha2 receptor in rat cortex
50028751	2	ChEMBL_523356 (CHEMBL1006692)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum
50028751	1	ChEMBL_523357 (CHEMBL1007515)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum
50028756	2	ChEMBL_523646 (CHEMBL998017)	Agonist activity at androgen receptor
50028756	1	ChEMBL_523647 (CHEMBL998018)	Agonist activity at androgen receptor assessed as receptor transactivation by reporter gene assay
50046990	3	ChEMBL_1552424 (CHEMBL3761675)	Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis
50046990	4	ChEMBL_1552429 (CHEMBL3761680)	Inhibition of mPGES1 in LPS-induced dog whole blood assessed as suppression of PGE2 response pre-incubated for 30 mins followed by LPS addition and measured after 5 hrs by LC-MS/MS analysis
50046990	5	ChEMBL_1552430 (CHEMBL3761681)	Inhibition of human ERG
50046990	6	ChEMBL_1552421 (CHEMBL3761672)	Inhibition of mPGES1 (unknown origin) by enzymatic assay
50028759	1	ChEMBL_546202 (CHEMBL1036849)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane
50028759	2	ChEMBL_546203 (CHEMBL1036850)	Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membrane
50028761	2	ChEMBL_519734 (CHEMBL938997)	Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay
50028761	4	ChEMBL_519735 (CHEMBL938998)	Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay
50028761	1	ChEMBL_519732 (CHEMBL938995)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay
50028761	3	ChEMBL_519733 (CHEMBL938996)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay
50028762	6	ChEMBL_519771 (CHEMBL957801)	Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization
50028762	7	ChEMBL_519763 (CHEMBL939026)	Activation of rat muscarinic M1 receptor expressed in CHO cells co-expressing Gq protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization
50028762	3	ChEMBL_519767 (CHEMBL955373)	Activation of human muscarinic M3 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization
50028762	2	ChEMBL_519781 (CHEMBL957811)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting
50028762	5	ChEMBL_519784 (CHEMBL957814)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein by scintillation counting in presence of acetylcholine
50028762	4	ChEMBL_519765 (CHEMBL939028)	Activation of rat muscarinic M2 receptor expressed in CHO cells co-expressing chimeric Gqi5 protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization
50028762	1	ChEMBL_519769 (CHEMBL957799)	Activation of rat muscarinic M4 receptor expressed in CHO cells coexpressing chimeric Gqi5 protein assessed as potentiation of acetylcholine-induced intracellular Ca2+ mobilization
50028764	1	ChEMBL_522797 (CHEMBL999750)	Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells by liquid scintillation counting
50046991	1	ChEMBL_1552456 (CHEMBL3761707)	Inhibition of CYP1A2 (unknown origin)
50046991	2	ChEMBL_1552508 (CHEMBL3761862)	Inhibition of CYP2D6 (unknown origin)
50046991	3	ChEMBL_1552509 (CHEMBL3761863)	Inhibition of CYP3A4 (unknown origin)
50046991	4	ChEMBL_1552512 (CHEMBL3761866)	Inhibition of full length human recombinant MMP1 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50028765	1	ChEMBL_522831 (CHEMBL1002499)	Inhibition of human CYP3A4
50046991	5	ChEMBL_1552458 (CHEMBL3761709)	Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50028766	8	ChEMBL_522840 (CHEMBL1002508)	Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells
50028766	3	ChEMBL_522846 (CHEMBL1002514)	Inhibition of human C-terminal FLAG-tagged HDAC2 in HEK293 cells
50028766	1	ChEMBL_522847 (CHEMBL1002515)	Inhibition of human C-terminal FLAG-tagged HDAC3 in HEK293 cells
50028766	5	ChEMBL_522849 (CHEMBL1002517)	Inhibition of C-terminal FLAG-tagged HDAC6 expressed in mammalian cells
50028766	7	ChEMBL_522850 (CHEMBL1002518)	Inhibition of wild type His-tagged HDAC7 catalytic domain T515-L952 expressed in Escherichia coli
50028766	6	ChEMBL_522851 (CHEMBL1003281)	Inhibition of C-terminal His-tagged HDAC8 expressed in Escherichia coli
50028766	4	ChEMBL_523075 (CHEMBL1004105)	Inhibition of CYP2C9
50046991	6	ChEMBL_1552609 (CHEMBL3762414)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction of diclofenac metabolism after 8 mins
50028767	5	ChEMBL_523078 (CHEMBL1004108)	Displacement of [3H]MPEP from cloned mGluR5 expressed in HEK293T cells by scintillation counting
50046991	7	ChEMBL_1552610 (CHEMBL3762415)	Inhibition of TACE (unknown origin) using Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate
50046991	8	ChEMBL_1552611 (CHEMBL3762416)	Inhibition of full length recombinant ADAMTS4 (unknown origin) expressed in insect Sf9 cells after 6 hrs by alkaline phosphatase-based assay
50046991	9	ChEMBL_1552612 (CHEMBL3762417)	Inhibition of full length recombinant ADAMTS5 (unknown origin) expressed in insect Sf9 cells after 6 hrs by alkaline phosphatase-based assay
50046991	10	ChEMBL_1552496 (CHEMBL3761850)	Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50028768	3	ChEMBL_523092 (CHEMBL1006644)	Inhibition of human recombinant caspase 6 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins
50028768	1	ChEMBL_523093 (CHEMBL1006645)	Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins
50028768	4	ChEMBL_523090 (CHEMBL1004120)	Inhibition of human recombinant caspase 1 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins
50028768	2	ChEMBL_523091 (CHEMBL1004121)	Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 mins
50028770	10	ChEMBL_523117 (CHEMBL1007475)	Inhibition of human PKCtheta by IMAP assay
50028770	9	ChEMBL_523118 (CHEMBL1007476)	Inhibition of human PKCdelta by IMAP assay
50028770	8	ChEMBL_523120 (CHEMBL1007478)	Inhibition of human PKCbeta by IMAP assay
50028770	6	ChEMBL_523121 (CHEMBL1007479)	Inhibition of human PKCepsilon by IMAP assay
50028770	4	ChEMBL_523123 (CHEMBL1007481)	Inhibition of human PKCzeta by IMAP assay
50028770	5	ChEMBL_523124 (CHEMBL1007482)	Inhibition of Lyn
50028770	1	ChEMBL_523125 (CHEMBL1007483)	Inhibition of Lck
50028770	3	ChEMBL_523126 (CHEMBL1007484)	Inhibition of MK2
50028770	2	ChEMBL_523130 (CHEMBL1007488)	Inhibition of ROCK1
50028771	1	ChEMBL_523390 (CHEMBL996322)	Inhibition of AT2 receptor
50028771	2	ChEMBL_523408 (CHEMBL996340)	Inhibition of CYP2C8
50028772	1	ChEMBL_523410 (CHEMBL996342)	Inhibition of Electrophorus electricus acetylcholinesterase by rapid colorimetric determination
50046991	11	ChEMBL_1552513 (CHEMBL3761867)	Inhibition of full length human recombinant MMP2 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	12	ChEMBL_1552515 (CHEMBL3761869)	Inhibition of MMP7 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	13	ChEMBL_1552514 (CHEMBL3761868)	Inhibition of MMP8 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	14	ChEMBL_1552516 (CHEMBL3761870)	Inhibition of full length human recombinant MMP9 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	15	ChEMBL_1552517 (CHEMBL3761871)	Inhibition of recombinant human MMP10 catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	16	ChEMBL_1552518 (CHEMBL3761872)	Inhibition of MMP12 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	17	ChEMBL_1552519 (CHEMBL3761873)	Inhibition of MMP14 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	18	ChEMBL_1552520 (CHEMBL3761998)	Inhibition of MMP15 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	19	ChEMBL_1552521 (CHEMBL3761999)	Inhibition of MMP16 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	20	ChEMBL_1552522 (CHEMBL3762000)	Inhibition of MMP20 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	21	ChEMBL_1552523 (CHEMBL3762001)	Inhibition of MMP24 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	22	ChEMBL_1552524 (CHEMBL3762002)	Inhibition of MMP25 (unknown origin) catalytic domain using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	23	ChEMBL_1552525 (CHEMBL3762003)	Inhibition of full length human recombinant MMP26 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50046991	24	ChEMBL_1552526 (CHEMBL3762004)	Inhibition of MMP13 (unknown origin) using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition
50046991	25	ChEMBL_1552527 (CHEMBL3762005)	Inhibition of MMP13 (unknown origin) using acetyl-Pro-Leu-Gly-[2-mercapto-4-methylpentanoyl]-Leu-Gly-O-ethyl ester as substrate by microplate reader analysis
50046991	26	ChEMBL_1552528 (CHEMBL3762006)	Inhibition of human OAT3 expressed in HEK cells assessed as reduction of [3H]-estrone sulfate uptake by radioactivity counting analysis
50046992	1	ChEMBL_1552617 (CHEMBL3762422)	Displacement of [3H]SYM2081 from recombinant rat GluK1(Q)1b receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	2	ChEMBL_1552618 (CHEMBL3762423)	Displacement of [3H]AMPA from rat cloned GluA1o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	3	ChEMBL_1552619 (CHEMBL3762424)	Displacement of [3H]AMPA from full length rat cloned GluA2(R)o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	4	ChEMBL_1552620 (CHEMBL3762559)	Displacement of [3H]AMPA from rat cloned GluA3o receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	5	ChEMBL_1552621 (CHEMBL3762560)	Displacement of [3H]SYM2081 from cloned rat GluK2(V,C,R)A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	6	ChEMBL_1552622 (CHEMBL3762561)	Displacement of [3H]SYM2081 from cloned rat GluK3A receptor expressed in sf9 cells incubated for 1 to 2 hrs by liquid scintillation counting method
50046992	7	ChEMBL_1552623 (CHEMBL3762562)	Antagonist activity against recombinant rat GluA2(Q)i expressed in xenopus oocytes assessed as inhibition of L-glutamate-induced intracellular calcium levels by two electrode voltage clamp method
50046992	8	ChEMBL_1552627 (CHEMBL3762566)	Displacement of [3H]AMPA from GluA2 LBD (unknown origin) incubated for 2 hrs by liquid scintillation counting method
50028780	1	ChEMBL_523732 (CHEMBL1007539)	Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay
50028780	2	ChEMBL_523734 (CHEMBL1007541)	Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintillation
50028783	2	ChEMBL_523764 (CHEMBL1008372)	Inhibition of human MMP2
50046992	9	ChEMBL_1552628 (CHEMBL3762567)	Agonist activity at human GluA2(Q)i expressed in HEK293 cells assessed as enhancement of glutamate-evoked desensitized current by whole cell patch clamp method
50046993	1	ChEBML_1552634	Binding affinity at delta opioid receptor (unknown origin)
50046937	12	ChEMBL_1552364 (CHEMBL3761528)	Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addition by beta counting analysis
50046937	10	ChEBML_1552366	Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by radioligand addition by gamma counting analysis
50028783	5	ChEMBL_523766 (CHEMBL1008374)	Inhibition of human MMP3
50028783	3	ChEMBL_523761 (CHEMBL1008369)	Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA
50028783	4	ChEMBL_523762 (CHEMBL1008370)	Inhibition of human recombinant ADAM10
50028783	1	ChEMBL_523763 (CHEMBL1008371)	Inhibition of human MMP1
50028786	1	ChEMBL_519831 (CHEMBL961196)	Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane
50028792	1	ChEMBL_498783 (CHEMBL1022822)	Antagonist activity at human recombinant neuropeptide Y5 receptor expressed in CHO-K1 cells coexpressing Gqi5 assessed as inhibition of NPY-induced increase in intracellular Ca2+ level by FLIPR assay
50028792	3	ChEMBL_498784 (CHEMBL1022823)	Binding affinity to human neuropeptide Y1 receptor
50028792	2	ChEMBL_498785 (CHEMBL1022824)	Binding affinity to human neuropeptide Y2 receptor
50028792	4	ChEMBL_498786 (CHEMBL1022825)	Binding affinity to human neuropeptide Y4 receptor
50028792	6	ChEMBL_498773 (CHEMBL1021965)	Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells
50028792	5	ChEMBL_498774 (CHEMBL1021966)	Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]6-yl]methanesulfonamide from human ERG expressed in HEK293 cells
50028793	1	ChEMBL_523163 (CHEMBL997155)	Inhibition of dynamin 1-mediated endocytosis internalization of Tf-A594 in human U2OS cells pretreated for 30 mins
50046937	13	ChEMBL_1552365 (CHEMBL3761529)	Displacement of [3H]-epibatidine from rat alpha4beta2 nACh receptor expressed in rat cortical membrane preincubated for 30 mins followed by radioligand addition by gamma counting analysis
50046940	7	ChEMBL_1551178 (CHEMBL3761626)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046966	35	ChEMBL_1547637 (CHEMBL3755507)	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level in presence of AITC
50046966	34	ChEMBL_1547636 (CHEMBL3755506)	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of intracellular calcium level in absence of AITC
50046993	10	ChEMBL_1552648 (CHEMBL3762587)	Partial agonist activity at delta opioid receptor (unknown origin) assessed as [35S]GTPgammaS binding by cell based assay
50046993	4	ChEMBL_1552645 (CHEMBL3762584)	Binding affinity to kappa opioid receptor (unknown origin)
50046993	22	ChEMBL_1552794 (CHEMBL3760687)	Agonist activity at delta-opioid receptor in mouse vas deferens
50046993	20	ChEMBL_1552657 (CHEMBL3762756)	Displacement of [3H]DPDPE from mu opioid receptor in albino Sprague-Dawley rat after 90 mins by liquid scintillation
50046993	15	ChEMBL_1552654 (CHEMBL3762593)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gammaS binding assay
50046993	5	ChEMBL_1552646 (CHEMBL3762585)	Agonist activity at mu opioid receptor (unknown origin) assessed as [35S]GTPgammaS binding by cell based assay
50046993	31	ChEMBL_1552638 (CHEMBL3762577)	Binding affinity at mu opioid receptor (unknown origin)
50046993	30	ChEMBL_1552659 (CHEMBL3762758)	Antagonist activity at human delta opioid receptor in CD1 mouse assessed as electrically induced twitches
50046993	28	ChEMBL_1552658 (CHEMBL3762757)	Displacement of [3H]DAMGO from kappa opioid receptor in albino Sprague-Dawley rat after 90 mins by liquid scintillation
50046993	18	ChEMBL_1552798 (CHEMBL3760691)	Agonist activity at human delta-opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50046993	24	ChEMBL_1552652 (CHEMBL3762591)	Displacement of [3H]diprenorphine from rat delta opioid receptor transfected in C6 cells by liquid scintillation counting assay
50046993	3	ChEMBL_1552644 (CHEMBL3762583)	Antagonist activity at human delta opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]-GTP-gammaS binding
50046993	17	ChEMBL_1552655 (CHEMBL3762594)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane
50046993	21	ChEMBL_1552650 (CHEMBL3762589)	Displacement of [3H]diprenorphine from rat mu opioid receptor transfected in C6 cells by liquid scintillation counting assay
50046993	8	ChEMBL_1552642 (CHEMBL3762581)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane
50046993	14	ChEMBL_1552632 (CHEMBL3762571)	Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced twitches
50046993	13	ChEMBL_1552791 (CHEMBL3760684)	Partial agonist activity at mu opioid receptor (unknown origin) expressed in CHO cell membrane assessed as stimulation of [35S]GTP-gamma-S binding
50046993	33	ChEMBL_1552634 (CHEMBL3762573)	Binding affinity at delta opioid receptor (unknown origin)
50046993	19	ChEMBL_1552635 (CHEMBL3762574)	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gammaS binding assay
50046993	6	ChEMBL_1552640 (CHEMBL3762579)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50046993	29	ChEMBL_1552637 (CHEMBL3762576)	Displacement of [3H]DPN from human mu opioid receptor expressed in CHO cells by liquid scintillation counting
50046993	11	ChEMBL_1552649 (CHEMBL3762588)	Partial agonist activity at delta opioid receptor (unknown origin) assessed as inhibition of adenylyl cyclase activity
50046993	9	ChEMBL_1552664 (CHEMBL3762763)	Displacement of [3H]D-Ala2,N-Me-Phe4,Gly5-ol]-Enkephalin from human mu opioid receptor expressed in CHO cell membrane
50046993	32	ChEMBL_1552639 (CHEMBL3762578)	Agonist activity at mu-opioid receptor in guinea pig ileum
50046993	2	ChEMBL_1552643 (CHEMBL3762582)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane
50046993	12	ChEMBL_1552790 (CHEMBL3760683)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane
50046993	7	ChEMBL_1552641 (CHEMBL3762580)	Displacement of [3H]DAGO from mu opioid receptor in rat brain membrane
50046993	26	ChEMBL_1552796 (CHEMBL3760689)	Partial agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding
50046993	25	ChEMBL_1552653 (CHEMBL3762592)	Agonist activity at rat delta opioid receptor transfected in C6 cells by [35S]GTPgammaS binding assay
50046993	27	ChEMBL_1552636 (CHEMBL3762575)	Displacement of [3H]DPN from human delta opioid receptor expressed in CHO cells by liquid scintillation counting
50046993	23	ChEMBL_1552651 (CHEMBL3762590)	Agonist activity at rat mu opioid receptor transfected in C6 cells by [35S]GTPgammaS binding assay
50046993	16	ChEMBL_1552797 (CHEMBL3760690)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells
50046937	7	ChEMBL_1552366 (CHEMBL3761530)	Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by radioligand addition by gamma counting analysis
50046937	14	ChEMBL_1552367 (CHEMBL3761531)	Displacement of [125I] alpha bungarotoxin from human alpha7 nACh receptor incubated for 20 secs
50028799	1	ChEMBL_523531 (CHEMBL1000653)	Inhibition of HRV-16 protease 3C expressed in Escherichia coli BL21(DE3) by FRET assay
50028802	3	ChEMBL_523817 (CHEMBL1008329)	Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk- cells
50028802	4	ChEMBL_523824 (CHEMBL1008336)	Displacement of [125I]PYY from rat NPY Y5 receptor
50028802	6	ChEMBL_523828 (CHEMBL1008340)	Inhibition of human NPY Y4 receptor
50028802	7	ChEMBL_523829 (CHEMBL1008341)	Antagonist activity at human recombinant NPY Y5 receptor expressed in mouse LMtk- cells assessed as inhibition of NPY-induced Ca2+ increase
50028802	5	ChEMBL_523825 (CHEMBL1008337)	Displacement of [125I]PYY from mouse NPY Y5 receptor
50028802	1	ChEMBL_523826 (CHEMBL1008338)	Inhibition of human NPY Y1 receptor
50028802	2	ChEMBL_523827 (CHEMBL1008339)	Inhibition of human NPY Y2 receptor
50028805	1	ChEMBL_523854 (CHEMBL1004155)	Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production
50028808	3	ChEMBL_519907 (CHEMBL964396)	Inhibition of CYP3A4 using diethoxyfluorescein as substrate
50028808	2	ChEMBL_519906 (CHEMBL964395)	Inhibition of CYP2D6
50028808	5	ChEMBL_519905 (CHEMBL964394)	Inhibition of CYP2C19
50028808	4	ChEMBL_519904 (CHEMBL964393)	Inhibition of CYP2C9
50028808	6	ChEMBL_519908 (CHEMBL964397)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate
50028808	1	ChEMBL_519903 (CHEMBL964392)	Inhibition of CYP1A2
50028810	3	ChEMBL_519947 (CHEMBL954626)	Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor expressed in HEK293 cells
50028810	1	ChEMBL_519949 (CHEMBL954628)	Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells
50028810	2	ChEMBL_519946 (CHEMBL954625)	Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells
50028811	3	ChEMBL_522924 (CHEMBL995446)	Inhibition of EGFP-fused human SPHK1 expressed in CHO cells
50028811	2	ChEMBL_522922 (CHEMBL995444)	Inhibition of EGFP-fused human SPHK1 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plot
50028811	1	ChEMBL_522923 (CHEMBL995445)	Inhibition of human cloned SPHK2 expressed in CHO cells using D-erythro-sphingosine as substrate by Michaelis-Menten plot
50028812	2	ChEMBL_522938 (CHEMBL995460)	Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from human Smoothened receptor expressed in CHO-K1 cells by membrane filter binding assay
50046994	1	ChEMBL_1552575 (CHEMBL3762220)	Inhibition of GST-tagged recombinant human CDK2/cyclin E expressed in insect SF-9 cells after 10 mins by scintillation counting analysis in presence of [gamma-33P]-ATP
50046995	1	ChEMBL_1552581 (CHEMBL3762226)	Time dependent inhibition of recombinant Trypanosoma brucei trypanothione reductase preincubated with protein for 10 to 180 mins followed by NADPH, trypanothione disulphide addition
50046996	1	ChEMBL_1552594 (CHEMBL3762399)	Inhibition of IL-1beta-activated m-PGES-1 in microsome of human A549 cells assessed as PGE2 formation preincubated for 15 mins followed by PGH2 addition measured after 1 min by RP-HPLC analysis
50046996	2	ChEMBL_1552587 (CHEMBL3762392)	Inhibition of 5-LOX in human intact polymorphonuclear leukocytes preincubated for 15 mins with CaCl2, A23187 measured after 10 mins by HPLC analysis
50046996	3	ChEMBL_1552585 (CHEMBL3762230)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate assessed as LTB4 formation preincubated for 15 mins measured after 10 mins by HPLC analysis
50046997	1	ChEMBL_1552597 (CHEMBL3762402)	Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes
50046997	2	ChEMBL_1552598 (CHEMBL3762403)	Displacement of [3H]-prazosin from human ADRA1A receptor
50046997	3	ChEMBL_1552596 (CHEMBL3762401)	Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes
50046998	1	ChEMBL_1552665 (CHEMBL3762764)	Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay
50046998	2	ChEMBL_1552602 (CHEMBL3762407)	Inhibition of VEGFR2 (unknown origin) preincubated for 5 mins followed by addition of ATP/gastrin precursor(Tyr87) biotinylated peptide cocktail incubated for 30 mins by ELISA
50046998	3	ChEMBL_1552666 (CHEMBL3762765)	Inhibition of HDAC1 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay
50046998	4	ChEMBL_1552667 (CHEMBL3762766)	Inhibition of HDAC2 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay
50046998	5	ChEMBL_1552668 (CHEMBL3762767)	Inhibition of HDAC6 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay
50046998	6	ChEMBL_1552669 (CHEMBL3762768)	Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay
50046999	1	ChEMBL_1552682 (CHEMBL3762781)	Inhibition of human ERG by FLIPR assay
50047000	1	ChEMBL_1552714 (CHEMBL3762971)	Displacement of [3H]-GR113808 from human 5-HT4 receptor expressed in African green monkey COS7 cell membranes after 30 mins by liquid scintillation counting analysis
50047000	2	ChEMBL_1552716 (CHEMBL3762973)	Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction
50047000	3	ChEMBL_1552715 (CHEMBL3762972)	Inhibition of human ERG channel by fluorescence polarization assay
50028825	2	ChEMBL_523903 (CHEMBL1001496)	Displacement of [125I]MCP1 from CCR2 in human PBMC by millipore filter plate assay
50028825	1	ChEMBL_523904 (CHEMBL1001497)	Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate reader assay
50028825	3	ChEMBL_523905 (CHEMBL1001498)	Antagonist activity at CCR2 in human PBMC assessed as MCP1-induced chemotaxis
50028826	1	ChEMBL_523907 (CHEMBL1001500)	Displacement of [125I]motilin from MTL receptor in rabbit duodenum homogenate
50028827	2	ChEMBL_523923 (CHEMBL1001516)	Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5
50028827	5	ChEMBL_523914 (CHEMBL1001507)	Inhibition of human microsomal epoxide hydrolase
50028827	7	ChEMBL_523916 (CHEMBL1001509)	Inhibition of rat soluble epoxide hydrolase
50047001	1	ChEMBL_1552871 (CHEMBL3760914)	Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay
50047001	2	ChEMBL_1552870 (CHEMBL3760913)	Inhibition of COX-1 in mouse J774 cells assessed as reduction in PGE2 level using arachidonic acid as substrate preincubated for 15 mins followed by incubation with arachidonic acid for 30 mins by radio immunoassay
50028827	9	ChEMBL_523918 (CHEMBL1001511)	Inhibition of CYP2C9
50028827	8	ChEMBL_523919 (CHEMBL1001512)	Inhibition of CYP2D6
50028827	3	ChEMBL_523920 (CHEMBL1001513)	Inhibition of CYP3A4
50028827	4	ChEMBL_523915 (CHEMBL1001508)	Inhibition of human soluble epoxide hydrolase
50047002	1	ChEMBL_1553046 (CHEMBL3760330)	Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins
50047002	2	ChEMBL_1553047 (CHEMBL3760331)	Inhibition of human TCPTP as hydrolysis of pNPP after 2 mins
50028831	1	ChEMBL_544894 (CHEMBL1012916)	Inhibition of BuChE in Wistar rat brain homogenates by Ellman's method
50028831	2	ChEMBL_544893 (CHEMBL1012915)	Inhibition of AChE in Wistar rat brain homogenates by Ellman's method
50028832	1	ChEMBL_519984 (CHEMBL951813)	Inhibition of sphingosine-1-phosphate lyase in mouse spleen by scintillation counting
50028835	9	ChEMBL_520027 (CHEMBL952691)	Binding affinity to beta-1 adrenoceptor
50028835	7	ChEMBL_520025 (CHEMBL952689)	Binding affinity to beta3 adrenoceptor
50028835	4	ChEMBL_520035 (CHEMBL939874)	Binding affinity to serotonin transporter
50028835	3	ChEMBL_520037 (CHEMBL939876)	Binding affinity to CYP2D6
50028835	1	ChEMBL_520033 (CHEMBL939872)	Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0-7 cells by radioligand binding assay
50028835	6	ChEMBL_520034 (CHEMBL939873)	Binding affinity to dopamine transporter
50028835	5	ChEMBL_520036 (CHEMBL939875)	Binding affinity to norepinephrine transporter
50028835	2	ChEMBL_520038 (CHEMBL939877)	Binding affinity to human ERG
50028836	2	ChEMBL_520070 (CHEMBL940691)	Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay
50028836	4	ChEMBL_520071 (CHEMBL940692)	Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARalpha expressed in Escherichia coli by scintillation proximity assay
50028836	5	ChEMBL_520073 (CHEMBL940694)	Agonist activity at human recombinant PPARgamma expressed in COS1 cells co-expressing GAL4 assessed as transcriptional activity after 48 hrs by luciferase reporter gene assay
50028836	1	ChEMBL_520083 (CHEMBL943687)	Agonist activity at mouse PPARalpha
50028836	3	ChEMBL_520085 (CHEMBL943689)	Agonist activity at dog PPARalpha
50028839	1	ChEMBL_545065 (CHEMBL1017181)	Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells
50047002	3	ChEMBL_1553048 (CHEMBL3760332)	Inhibition of human SHP1 as hydrolysis of pNPP after 2 mins
50047002	4	ChEMBL_1553049 (CHEMBL3760333)	Inhibition of human SHP2 as hydrolysis of pNPP after 2 mins
50047002	5	ChEMBL_1553050 (CHEMBL3760334)	Inhibition of human LAR as hydrolysis of pNPP after 2 mins
50028841	3	ChEMBL_545295 (CHEMBL1020741)	Displacement of [3H]CP-55940 from human recombinant CB1R expressed in HEK293 cells
50028841	2	ChEMBL_545296 (CHEMBL1020742)	Displacement of [3H]CP-55940 from human recombinant CB2R expressed in HEK293 cells
50028841	1	ChEMBL_545298 (CHEMBL1020744)	Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP-55940-stimulated Eu-GTP binding
50028844	2	ChEMBL_545767 (CHEMBL1027662)	Inhibition of TSSK1-catalyzed phosphorylation of AALVRQMSVAFFFK substrate by luminescent kinase assay
50028844	3	ChEMBL_545769 (CHEMBL1027664)	Inhibition of TSSK1-catalyzed phosphorylation of AALVRQMSVAFFFK substrate by LC-MS based HTP assay in presence of Pep8-(O2)
50028844	1	ChEMBL_545771 (CHEMBL1027666)	Inhibition of TSSK1-catalyzed phosphorylation of AALVRQMSVAFFFK substrate by LC-MS based HTP assay in absence of Pep8-(O2)
50047003	1	ChEMBL_1553061 (CHEMBL3760345)	Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay
50047003	2	ChEMBL_1553062 (CHEMBL3760346)	Transactivation of N-terminal Gal4 DNA binding domain-linked human PPARalpha ligand binding domain after 24 hrs by luciferase reporter gene assay relative to vehicle-treated control
50047003	3	ChEMBL_1553063 (CHEMBL3760347)	Partial agonist activity at human GPR40 expressed in CHO cells assessed as fatty acid-induced calcium mobilization by FLIPR assay
50047003	4	ChEMBL_1553064 (CHEMBL3760348)	Modulation of FFAR1 (unknown origin)
50047004	1	ChEMBL_1550568 (CHEMBL3762263)	Inhibition of Influenza A virus neuraminidase
50047005	1	ChEMBL_1550587 (CHEMBL3762441)	Inhibition of CYP1A2 (unknown origin)
50047005	2	ChEMBL_1550588 (CHEMBL3762442)	Inhibition of CYP2C9 (unknown origin)
50047005	3	ChEMBL_1550589 (CHEMBL3762443)	Inhibition of CYP2D6 (unknown origin)
50047005	4	ChEMBL_1550590 (CHEMBL3762444)	Inhibition of CYP3A4 (unknown origin)
50028846	1	ChEMBL_520155 (CHEMBL947843)	Inhibition of human recombinant BHMT expressed in Escherichia coli using 2 mM betaine and 1 mM DL-homocysteine as substrate
50028846	3	ChEMBL_520156 (CHEMBL947844)	Binding affinity to human recombinant BHMT expressed in Escherichia coli by isothermal titration calorimetry
50028846	2	ChEMBL_520158 (CHEMBL947846)	Binding affinity to human recombinant BHMT expressed in Escherichia coli by intrinsic tryptophan fluorescence studies
50028848	3	ChEMBL_545776 (CHEMBL1027671)	Inhibition of wild type rat nNOS by hemoglobin capture assay
50028848	4	ChEMBL_545777 (CHEMBL1027672)	Inhibition of human nNOS by hemoglobin capture assay
50028848	2	ChEMBL_545781 (CHEMBL1027676)	Inhibition of wild type rat nNOS by radioactivity assay
50028848	1	ChEMBL_545782 (CHEMBL1027677)	Inhibition of human nNOS by radioactivity assay
50028851	1	ChEMBL_546002 (CHEMBL1027706)	Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced response relative to glutamate
50028851	2	ChEMBL_545990 (CHEMBL1027694)	Antagonist activity at rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced response
50028851	5	ChEMBL_545994 (CHEMBL1027698)	Antagonist activity at mGlu2 receptor
50028851	4	ChEMBL_545995 (CHEMBL1027699)	Antagonist activity at mGlu3 receptor
50028851	7	ChEMBL_545996 (CHEMBL1027700)	Antagonist activity at mGlu4 receptor
50028851	8	ChEMBL_545997 (CHEMBL1027701)	Antagonist activity at mGlu7 receptor
50028851	6	ChEMBL_545998 (CHEMBL1027702)	Antagonist activity at mGlu8 receptor
50028853	1	ChEMBL_546015 (CHEMBL1028493)	Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates
50028853	3	ChEMBL_546016 (CHEMBL1028494)	Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates
50028853	2	ChEMBL_546017 (CHEMBL1028495)	Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates
50047006	1	ChEMBL_1550875 (CHEMBL3762660)	Agonist activity at human recombinant MOR expressed in CHO cells assessed as calcium mobilization by Fluo-4 AM based fluorescence analysis
50047006	2	ChEMBL_1550876 (CHEMBL3762661)	Agonist activity at human recombinant DOR expressed in CHO cells assessed as calcium mobilization by Fluo-4 AM based fluorescence analysis
50047006	3	ChEMBL_1550877 (CHEMBL3762662)	Agonist activity at human recombinant KOR expressed in CHO cells assessed as calcium mobilization by Fluo-4 AM based fluorescence analysis
50047006	4	ChEMBL_1550861 (CHEMBL3762646)	Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates by liquid scintillation counting analysis
50047006	5	ChEMBL_1550860 (CHEMBL3762645)	Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenates by liquid scintillation counting analysis
50047006	6	ChEMBL_1550615 (CHEMBL3762597)	Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates by liquid scintillation counting analysis
50047007	1	ChEMBL_1550878 (CHEMBL3762663)	Binding affinity to full length Staphylococcus aureus GyrB by STD-NMR spectroscopic analysis
50047007	2	ChEMBL_1550880 (CHEMBL3762665)	Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay
50047008	1	ChEMBL_1550899 (CHEMBL3762854)	Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
50047008	2	ChEMBL_1550913 (CHEMBL3762868)	Displacement of [33P]-S1P from human S1P1 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
50047008	3	ChEMBL_1550914 (CHEMBL3762869)	Displacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
50047008	4	ChEMBL_1550915 (CHEMBL3762870)	Displacement of [33P]-S1P from human S1P3 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
50047008	5	ChEMBL_1550916 (CHEMBL3762871)	Displacement of [33P]-S1P from human S1P4 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
50047008	6	ChEMBL_1550897 (CHEMBL3762852)	Displacement of [33P]-S1P from human S1P5 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
50047009	1	ChEMBL_1552966 (CHEMBL3760250)	Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay
50028855	4	ChEMBL_546026 (CHEMBL1034201)	Inhibition of Cdc7-mediated phosphorylation of Mcm2
50028855	2	ChEMBL_546027 (CHEMBL1034202)	Inhibition of Cdk9/cyclinT
50047009	2	ChEMBL_1552967 (CHEMBL3760251)	Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay
50047009	3	ChEMBL_1552964 (CHEMBL3760248)	Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay
50047009	4	ChEMBL_1552965 (CHEMBL3760249)	Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay
50047010	1	ChEMBL_1553007 (CHEMBL3760291)	Inhibition of HDAC5 (unknown origin)
50047010	2	ChEMBL_1553008 (CHEMBL3760292)	Inhibition of HDAC6 (unknown origin)
50047010	3	ChEMBL_1553012 (CHEMBL3760296)	Inhibition of HDAC10 (unknown origin)
50047010	4	ChEMBL_1553013 (CHEMBL3760297)	Inhibition of HDAC11 (unknown origin)
50047010	5	ChEMBL_1553003 (CHEMBL3760287)	Inhibition of HDAC1 (unknown origin)
50047010	6	ChEMBL_1553004 (CHEMBL3760288)	Inhibition of HDAC2 (unknown origin)
50047010	7	ChEMBL_1553005 (CHEMBL3760289)	Inhibition of HDAC3 (unknown origin)
50047010	8	ChEMBL_1553006 (CHEMBL3760290)	Inhibition of HDAC4 (unknown origin)
50047010	9	ChEMBL_1553009 (CHEMBL3760293)	Inhibition of HDAC7 (unknown origin)
50047010	10	ChEMBL_1553010 (CHEMBL3760294)	Inhibition of HDAC8 (unknown origin)
50047010	11	ChEMBL_1553011 (CHEMBL3760295)	Inhibition of HDAC9 (unknown origin)
50047011	1	ChEMBL_1550512 (CHEMBL3762050)	Inhibition of recombinant human Ron using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	2	ChEMBL_1550514 (CHEMBL3762052)	Inhibition of recombinant human Axl using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	3	ChEMBL_1550515 (CHEMBL3762053)	Inhibition of recombinant human TyrO3 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	4	ChEMBL_1550516 (CHEMBL3762054)	Inhibition of recombinant human Mer using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	5	ChEMBL_1550517 (CHEMBL3762055)	Inhibition of recombinant human FGFR1 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	6	ChEMBL_1550518 (CHEMBL3762056)	Inhibition of recombinant human IGF1R using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	7	ChEMBL_1550519 (CHEMBL3762057)	Inhibition of recombinant human PDGFR-alpha using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	8	ChEMBL_1550520 (CHEMBL3762058)	Inhibition of recombinant human PDGFR-beta using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	9	ChEMBL_1550521 (CHEMBL3762059)	Inhibition of recombinant human KDR using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	10	ChEMBL_1550522 (CHEMBL3762060)	Inhibition of recombinant human EGFR using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	11	ChEMBL_1550523 (CHEMBL3762061)	Inhibition of recombinant human Flt-1 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	12	ChEMBL_1550524 (CHEMBL3762062)	Inhibition of recombinant human Flt-3 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	13	ChEMBL_1550525 (CHEMBL3762063)	Inhibition of recombinant human c-Src using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	14	ChEMBL_1550526 (CHEMBL3762064)	Inhibition of recombinant human EPH-A2 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	15	ChEMBL_1550527 (CHEMBL3762065)	Inhibition of recombinant human ErbB2 using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	16	ChEMBL_1550528 (CHEMBL3762066)	Inhibition of recombinant human ABL using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047011	17	ChEMBL_1550500 (CHEMBL3762038)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50047012	1	ChEMBL_1550536 (CHEMBL3762231)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells after 1 hr
50047012	2	ChEMBL_1550542 (CHEMBL3762237)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr
50047012	3	ChEMBL_1550541 (CHEMBL3762236)	Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells after 1 hr
50047012	4	ChEMBL_1550535 (CHEMBL3762073)	Displacement of [3H]-Raclopride from human D2L receptor expressed in HEK293 cells after 1 hr
50047012	5	ChEMBL_1550537 (CHEMBL3762232)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cells after 1 hr
50047013	1	ChEMBL_1552210 (CHEMBL3761212)	Inhibition of recombinant human HDAC6
50028860	1	ChEBML_28290	Concentration required to inhibit acetylcholinesterase isolated from human erythrocytes
50028861	1	ChEBML_58705	In vitro binding affinity to Dopamine receptor D2 in rat striatal membranes using D2 antagonist [3H]spiperone
50028861	2	ChEBML_58184	In vitro binding affinity to Dopamine receptor D1 in rat striatal membranes using D1 antagonist [3H]SCH-23390
50047013	2	ChEMBL_1552211 (CHEMBL3761213)	Inhibition of HDAC1 (unknown origin)
50028863	1	ChEBML_29225	Inhibitory activity against acetylcholinesterase (AChE) in rat brain homogenates
50047013	3	ChEMBL_1552212 (CHEMBL3761214)	Inhibition of HDAC2 (unknown origin)
50047013	4	ChEMBL_1552213 (CHEMBL3761215)	Inhibition of HDAC3 (unknown origin)
50047013	5	ChEMBL_1552214 (CHEMBL3761216)	Inhibition of HDAC4 (unknown origin)
50047013	6	ChEMBL_1552215 (CHEMBL3761217)	Inhibition of HDAC6 (unknown origin)
50047013	7	ChEMBL_1552216 (CHEMBL3761218)	Inhibition of HDAC8 (unknown origin)
50047013	8	ChEMBL_1552209 (CHEMBL3761211)	Inhibition of recombinant human HDAC1
50028869	1	ChEBML_64136	Tested for the binding affinity against human leukocyte elastase
50028870	1	ChEBML_142506	Compound was evaluated for its binding affinity towards strychnine - insensitive glycine site of NMDA receptor in presence of [3H]- Gly
50028870	3	ChEBML_140475	Compound was evaluated for its binding affinity towards strychnine - insensitive glycine site of NMDA in presence of [3H]- CPP
50028871	1	ChEBML_4044	Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-lipoxygenase in vitro (guinea pig PMN)
50028872	2	ChEBML_205783	Binding potency against SP receptor in bovine caudate using [3H]- as radioligand
50028874	1	ChEBML_80487	The inhibitory activity against purified recombinant human HMG-CoA reductase was evaluated
50028875	1	ChEBML_67067	Inhibition of Epidermal growth factor receptor
50028875	2	ChEBML_221641	Inhibition of p56 lck tyrosine kinase
50028876	1	ChEBML_207649	Tested for binding affinity against platelet TXA2 receptor in washed human platelets using [125I]BOP as radioligand
50028877	1	ChEBML_98511	Compound was tested for its antagonist activity in a LTB4 human neutrophil receptor binding assay using the natural ligand itself
50047013	9	ChEMBL_1552208 (CHEMBL3761210)	Inhibition of HDAC in human HeLa nuclear extract
50028879	1	ChEBML_210744	Inhibition of angiotensin I phosphorylation catalyzed by the protein-tyrosine kinase p56 lck partially purified from bovine thymus.
50028880	1	ChEBML_210745	Inhibitory concentration against phosphorylation of angiotensin I catalyzed by protein-tyrosine kinase p56lck
50028884	1	ChEMBL_201036 (CHEMBL803262)	Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes
50028884	2	ChEBML_201036	Inhibition of [3H]- 8-OH-DPAT binding to 5-HT1A-receptor from rat cerebral cortex membranes
50028885	1	ChEBML_35586	Inhibitory constant angiotensin converting enzyme
50028886	1	ChEBML_45616	Binding affinity against carboxypeptidase A using hippurylphenylalanine as substrate
50028887	1	ChEBML_45615	Compound was evaluated for binding affinity against carboxypeptidase A (CPA), expressed as inhibitory constant (Ki)
50028890	1	ChEBML_58452	In vitro binding affinity towards Dopamine D2 receptor using [3H]spiperone as radioligand
50028890	2	ChEBML_58294	In vitro binding affinity towards Dopamine D1 receptor using [3H]-SCH- 23390 as radioligand
50047014	1	ChEMBL_1552220 (CHEMBL3761222)	Antagonist activity at human mGluR5d by fluo-3-based FLIPR assay
50047014	2	ChEMBL_1552226 (CHEMBL3761228)	Antagonist activity at mGluR5 (unknown origin)
50047014	3	ChEMBL_1552219 (CHEMBL3761221)	Displacement of [3H]methoxy-PEPgamma from mGluR5 in rat cerebral cortex membranes after 60 mins by scintillation counting analysis
50028892	1	ChEBML_28154	In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.
50047014	4	ChEMBL_1552222 (CHEMBL3761224)	Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes
50028894	1	ChEBML_142498	Ability of compound to compete with [3H]glycine for the strychnine-insensitive NMDA receptor glycine binding sites on rat cortical and hippocampus
50028895	1	ChEBML_209597	Compound was evaluated for the receptor binding studies with Thromboxane A2 receptor using [3H]-SQ 29548 as radioligand in human platelet membranes.
50028896	1	ChEBML_212054	Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay
50047014	5	ChEMBL_1552223 (CHEMBL3761225)	Displacement of [3H]-MPEP (2-methyl-6-(phenylethynyl)pyridine) from mGlu5R in Sprague-Dawley rat cortical membranes after 60 mins by scintillation counting analysis
50047014	6	ChEMBL_1552225 (CHEMBL3761227)	Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization by Fluo-4 dye-based fluorescence assay
50047014	7	ChEMBL_1552224 (CHEMBL3761226)	Antagonist activity at human mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced effect by aequorin bioluminescence assay
50047014	8	ChEMBL_1552218 (CHEMBL3761220)	Displacement of [3H]-M-MPEP from mGluR5 StaR domain (569 to 836 residues) (unknown origin) expressed in HEK293 cell membranes
50047014	9	ChEMBL_1552221 (CHEMBL3761223)	Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5R in rat cortical membranes by liquid scintillation spectrometric analysis
50047015	1	ChEMBL_1552363 (CHEMBL3761527)	Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
50046940	8	ChEMBL_1551176 (CHEMBL3761624)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	9	ChEMBL_1551175 (CHEMBL3761623)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50046940	10	ChEMBL_1551177 (CHEMBL3761625)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50028899	7	ChEBML_30092	Competitive Inhibition constant on almonds beta Glucosidase at pH 5.0
50028901	1	ChEBML_208668	Tested for binding affinity towards Tachykinin receptor 1 by using [3H]SP binding assay in rat brain membranes
50028903	1	ChEBML_724	Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN
50028904	2	ChEMBL_3959 (CHEMBL618057)	In vitro inhibitory activity against 5-lipoxygenase was determined
50047016	1	ChEMBL_1551183 (CHEMBL3761631)	Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay
50047016	2	ChEMBL_1551184 (CHEMBL3761632)	Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay
50028904	4	ChEBML_3897	Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-lipoxygenase
50028905	2	ChEMBL_209426 (CHEMBL814284)	Inhibition of [3H]-SQ 29,548 radioligand binding to thromboxane A2 (TXA2) receptor of human platelet membranes
50028909	1	ChEBML_80655	Compound was tested for its inhibitory activity against rat liver microsomal HMG-CoA reductase
50028910	1	ChEBML_209929	Inhibition of human Thromboxane A2 synthase
50047017	1	ChEMBL_1551188 (CHEMBL3761636)	Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS analysis
50028912	1	ChEMBL_29648 (CHEMBL639755)	Affinity towards adenosine A1 receptor
50028912	2	ChEBML_29647	Affinity towards adenosine A1 receptor
50047018	1	ChEMBL_1551210 (CHEMBL3761791)	Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay
50048304	1	ChEMBL_42922 (CHEMBL654565)	Inhibition of [3H]nitrendipine binding to calcium channel of rat brain membranes.
50047018	2	ChEMBL_1551211 (CHEMBL3761792)	Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay
50047018	3	ChEMBL_1551212 (CHEMBL3761793)	Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay
50047018	4	ChEMBL_1551371 (CHEMBL3762492)	Inhibition of human recombinant HDAC6 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay
50047019	1	ChEMBL_1551377 (CHEMBL3762498)	Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis
50047020	1	ChEMBL_1551381 (CHEMBL3762502)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047020	2	ChEMBL_1551382 (CHEMBL3762503)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50028924	5	ChEMBL_358 (CHEMBL615413)	Rate constant against 3-dehydroquinate synthase
50028924	3	ChEMBL_356 (CHEMBL615411)	Inhibition constant against 3-dehydroquinate synthase
50047020	3	ChEMBL_1551383 (CHEMBL3762504)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50028914	1	ChEMBL_86911 (CHEMBL698421)	The compound was evaluated for antagonistic effect on release of [3H]histamine from rat brain cortical slices with L-[3H]histidine at 0.3 uM
50028914	2	ChEMBL_86739 (CHEMBL693464)	The compound was evaluated for agonistic effect on release of [3H]histamine from rat brain cortical slices with L-[3H]histidine at 0.3 uM
50028914	3	ChEMBL_86730 (CHEMBL693455)	Compound was evaluated for agonistic effect on release of [3H]histamine from rat brain cortical slices with L-[3H]histidine at 0.3 uM
50028914	4	ChEBML_86731	Compound was evaluated for antagonistic effect on release of [3H]histamine from rat brain cortical slices with L-[3H]histidine at 0.3 uM
50028915	1	ChEBML_63968	Compound was evaluated In vitro for inhibition of human neutrophil elastase
50028916	1	ChEBML_92	Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes
50028918	1	ChEBML_47835	Displacement of [125I]CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes
50028918	2	ChEBML_50174	Displacement of [125I]CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay
50028920	1	ChEBML_220929	Agonistic activity at kappa opioid receptor of rabbit vas deferens
50028922	1	ChEBML_146761	Evaluated for its affinity towards Opioid receptor delta 1 in rat fore brain by displacing the radioligand [3H]DPDPE.
50028922	2	ChEBML_148681	Evaluated for its affinity towards Opioid receptor mu 1 in rat forebrain by displacing the radioligand [3H]sufentanil.
50028923	1	ChEBML_4182	In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells.
50028923	2	ChEMBL_4184 (CHEMBL619986)	The compound was evaluated in vitro for inhibition of 5-lipoxygenase activity in RBL-1 cells.
50028925	8	ChEBML_211	Inhibitory activity against human platelet 12-lipoxygenase was evaluated
50028925	9	ChEBML_30	Inhibitory activity against soybean 15-lipoxygenase was evaluated
50028926	1	ChEBML_4294	Inhibitory activity against 5-lipoxygenase.
50047020	4	ChEMBL_1551380 (CHEMBL3762501)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50028928	1	ChEBML_101366	Inhibitory activity against Soybean type 1 Lipoxygenase (SBLO) was determined
50028929	1	ChEBML_49940	Inhibition constant against Chymotrypsinogen
50028930	1	ChEMBL_4312 (CHEMBL618420)	The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)
50028930	2	ChEBML_4312	The compound was tested for the inhibition of binding of [125I]- L- 691,831 binding to 5-lipoxygenase activating protein (FLAP)
50028934	1	ChEBML_49118	Compound was tested in vitro for inhibitory activity against rat choline acetyltransferase (ChAT)
50028934	2	ChEBML_49105	Compound was tested in vitro for inhibitory activity against chick choline acetyltransferase (ChAT)
50028934	4	ChEMBL_49106 (CHEMBL665957)	Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)
50028937	1	ChEBML_144290	Inhibitory concentration required for the displacement of [3H]NT from neurotensin receptor in mouse; value ranges from 4-6 uM
50028937	3	ChEBML_144301	Inhibitory concentration required for the displacement of [3H]NT from neurotensin receptor in rat
50028938	3	ChEMBL_208124 (CHEMBL818153)	Inhibitory concentration against thrombin when incubated with the compound for 3 min in batch 1
50028938	5	ChEMBL_208535 (CHEMBL813629)	Overall Inhibitory constant against thrombin was determined
50047021	1	ChEMBL_1551386 (CHEMBL3762507)	Inhibition of human carbonic anhydrase 9 for 15 mins by stopped flow CO2 hydration assay
50047021	2	ChEMBL_1551387 (CHEMBL3762508)	Inhibition of human carbonic anhydrase 12 for 15 mins by stopped flow CO2 hydration assay
50028940	1	ChEBML_210287	Inhibitory concentration against thromboxane synthase enzyme
50028941	1	ChEBML_210288	Inhibitory concentration against thromboxane synthase enzyme from human microsomal platelet preparation
50028942	1	ChEBML_142504	Inhibition of [3H]L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes
50047021	3	ChEMBL_1551385 (CHEMBL3762506)	Inhibition of human carbonic anhydrase 2 for 15 mins by stopped flow CO2 hydration assay
50028944	2	ChEBML_4175	Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophilic leukemia cells(RBL-1)
50047021	4	ChEMBL_1551384 (CHEMBL3762505)	Inhibition of human carbonic anhydrase 1 for 15 mins by stopped flow CO2 hydration assay
50047022	1	ChEMBL_1551389 (CHEMBL3762510)	Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50028947	1	ChEBML_152427	Inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)
50028948	3	ChEMBL_4306 (CHEMBL618415)	Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)
50047022	2	ChEMBL_1551388 (CHEMBL3762509)	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50028950	1	ChEBML_197371	Compound was tested for its inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase
50047022	3	ChEMBL_1551390 (CHEMBL3762511)	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50047022	4	ChEMBL_1551391 (CHEMBL3762512)	Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50047022	5	ChEMBL_1551392 (CHEMBL3762513)	Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50047022	6	ChEMBL_1551393 (CHEMBL3762514)	Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50028952	1	ChEBML_66907	Inhibition of epidermal growth factor receptor (EGFR)
50028952	2	ChEBML_221642	Inhibition of p56 lck tyrosine kinase
50028953	1	ChEBML_36160	Ability to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes
50047022	7	ChEMBL_1551394 (CHEMBL3762515)	Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50028956	1	ChEMBL_96619 (CHEMBL708177)	Compound was tested for the inhibition of human leukocyte elastase (HLE)
50047022	8	ChEMBL_1551395 (CHEMBL3762516)	Inhibition of recombinant human HDAC11 using Boc-Lys(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence-based assay
50047023	1	ChEMBL_1551499 (CHEMBL3762920)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins
50028959	2	ChEMBL_221938 (CHEMBL842477)	Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]PL-017 as ligand in rat cerebrum in vitro
50028959	3	ChEMBL_217855 (CHEMBL822178)	Compound was evaluated for its binding affinity against enkephalin delta receptor using [3H]DPDPE as ligand in rat cerebrum in vitro
50028960	1	ChEMBL_78178 (CHEMBL688752)	Inhibition of microsomal rat liver HMG-CoA reductase
50047023	2	ChEMBL_1551498 (CHEMBL3762919)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins
50047023	3	ChEMBL_1551497 (CHEMBL3762918)	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50047023	4	ChEMBL_1551496 (CHEMBL3762917)	Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50047023	5	ChEMBL_1551502 (CHEMBL3762923)	Binding affinity to 5-HT2C receptor (unknown origin)
50028963	1	ChEMBL_78182 (CHEMBL692291)	The compound was evaluated for Inhibition of rat hepatic microsomal HMG-CoA reductase.
50028964	1	ChEBML_39913	Tested for inhibition of HIV gp120-CD4 interaction in an ELISA based binding assay using recombinant CD4-gp120
50028965	2	ChEMBL_71530 (CHEMBL679996)	Compound was evaluated for displacement of radiolabeled [I-125]GRP from rat brain receptor; 1.5-3 uM
50028967	1	ChEBML_48914	Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver
50047024	1	ChEMBL_1551504 (CHEMBL3762925)	Inhibition of human notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay
50047024	2	ChEMBL_1551505 (CHEMBL3762926)	Inhibition of mouse notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay
50028967	5	ChEMBL_28184 (CHEMBL639301)	Concentration required for the inhibition of rabbit arterial Acyl coenzyme A:cholesterol acyltransferase
50028967	12	ChEMBL_48913 (CHEMBL660743)	Concentration required for the inhibition of ACAT from rat gut
50028968	1	ChEMBL_218338 (CHEMBL819752)	Binding affinity for cytochrome P450 14DM
50028968	2	ChEBML_218337	Binding affinity for cytochrome P450 14DM
50028969	1	ChEBML_63050	Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]spiperone displacement.
50028969	2	ChEBML_58794	Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH- 23390 displacement.
50028970	2	ChEMBL_40050 (CHEMBL651453)	Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]bolton hunter CCK-26-33 as radioligand; 770-2020
50028970	3	ChEMBL_40049 (CHEMBL651452)	Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]bolton hunter CCK-26-33 as radioligand; 743-1710
50028970	5	ChEMBL_40200 (CHEMBL652245)	Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]bolton hunter CCK-26-33 as radioligand; 365-1590
50028970	6	ChEBML_40050	Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]bolton hunter CCK-26-33 as radioligand; 770-2020
50028970	7	ChEMBL_40201 (CHEMBL652246)	Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]bolton hunter CCK-26-33 as radioligand; 4.2-8.9
50028970	8	ChEBML_40198	Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]bolton hunter CCK-26-33 as radioligand; 1.3-2.7
50047025	1	ChEMBL_1551515 (CHEMBL3760417)	Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift assay
50047025	2	ChEMBL_1551514 (CHEMBL3760416)	Inhibition of human VEGFR-2 preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift assay
50028981	1	ChEBML_90982	The compound was tested for inhibition of IL-1 beta converting enzyme in whole human blood.
50028982	1	ChEBML_90109	Concentration required for 50% inhibition of Inositol monophosphatase
50048313	1	ChEMBL_139950 (CHEMBL748850)	Inhibition of [3H](R)-QNB binding to muscarinic receptor in rat brain membranes
50028983	3	ChEBML_196300	Concentration required to inhibit rat plasma renin by 50% using radio-immunoassay was determined
50028983	4	ChEBML_49589	Concentration required to inhibit the enzyme chymotrypsin
50028983	5	ChEBML_47249	Concentration required to inhibit the enzyme cathepsin
50028983	6	ChEBML_154163	Concentration required to inhibit the enzyme pepsin
50028984	1	ChEBML_96633	Concentration required for inhibition of human leukocyte elastase (HLE)
50048314	1	ChEMBL_140064 (CHEMBL747442)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 2500-5600
50048314	2	ChEMBL_140054 (CHEMBL745871)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 65-110
50048314	3	ChEMBL_140056 (CHEMBL745873)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 83-128
50048314	4	ChEMBL_140070 (CHEMBL747448)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 4800-6300
50048314	5	ChEMBL_140065 (CHEMBL747443)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 2600-4400
50048314	6	ChEMBL_139942 (CHEMBL753104)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 12-62
50048314	7	ChEMBL_140067 (CHEMBL747445)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 3400-10000
50028986	2	ChEMBL_3893 (CHEMBL619408)	Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase)
50028986	4	ChEBML_3894	Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase) in intact RBL-1 cell line assay
50047026	1	ChEMBL_1551639 (CHEMBL3760885)	Inverse agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in intracellular calcium mobilization after 90 secs by Calcein-4 AM-staining based FLIPR assay
50047026	2	ChEMBL_1551637 (CHEMBL3760883)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes
50047026	3	ChEMBL_1551636 (CHEMBL3760882)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes
50047027	1	ChEMBL_1552124 (CHEMBL3760461)	Inhibition of GST-tagged human CK2alpha' (1 to 350 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay
50047027	2	ChEMBL_1552123 (CHEMBL3760460)	Inhibition of GST-tagged human CK2alpha (1 to 391 residues) using CK2tide as substrate incubated for 1 hr by off-chip mobility shift assay
50047028	1	ChEMBL_1552239 (CHEMBL3761241)	Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay
50028991	3	ChEBML_139639	Dissociation constant for human Muscarinic acetylcholine receptor M2 was determined.
50028991	4	ChEBML_139244	Potency assessed to inhibit cAMP levels in N1E-115 neuroblastoma cells, for blocking oxotremorine-M in functional assay for Muscarinic acetylcholine receptor M4
50028991	6	ChEBML_140095	Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.
50028991	7	ChEBML_139250	Potency assessed to inhibit cAMP levels in rat striatum, for blocking oxotremorine-M, in functional assay for Muscarinic acetylcholine receptor M4
50028991	8	ChEBML_138398	Dissociation constant for human Muscarinic acetylcholine receptor M1 was determined.
50028992	1	ChEBML_140043	Displacement of [3H]QNB from Muscarinic acetylcholine receptor M2 from rat heart homogenates
50028992	4	ChEBML_139204	Displacement of [3H]QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1
50047028	2	ChEMBL_1552240 (CHEMBL3761242)	Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay
50028993	1	ChEBML_139952	Displacement of [3H]-Pz (pirenzepine) from the muscarinic receptor M1 of the rat hippocampus
50046941	3	ChEMBL_1552279 (CHEMBL3761350)	Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis
50046941	2	ChEMBL_1552280 (CHEMBL3761351)	Competitive inhibition of human serum PON1 using paraoxon as substrate by Lineweaver-Burk plot analysis
50046942	3	ChEMBL_1555228 (CHEMBL3768544)	Competitive inhibition of human LDH1 meaured for 3 mins in presence of NADH by fluorescence analysis
50046942	7	ChEMBL_1555231 (CHEMBL3768757)	Competitive inhibition of human LDH1 in presence of NADH
50046942	8	ChEMBL_1555230 (CHEMBL3768756)	Competitive inhibition of human LDH5 in presence of NADH
50046942	5	ChEMBL_1555227 (CHEMBL3768543)	Competitive inhibition of human LDH5 meaured for 3 mins in presence of pyruvate by fluorescence analysis
50046942	2	ChEMBL_1555229 (CHEMBL3768755)	Competitive inhibition of human LDH1 meaured for 3 mins in presence of pyruvate by fluorescence analysis
50046942	4	ChEMBL_1555236 (CHEMBL3768762)	Competitive inhibition of human LDH5 incubated for 15 mins in presence of NADH by fluorescence analysis
50046942	6	ChEMBL_1555232 (CHEMBL3768758)	Competitive inhibition of human LDH5 meaured for 3 mins in presence of NADH by fluorescence analysis
50028995	2	ChEBML_88157	Effective concentration for MIPA (muscarinic-stimulated inositol phosphate accumulation) activity in SK-N-SH neuroblastoma cells expressing human muscarinic M3 receptor
50028995	5	ChEBML_139630	Compound was evaluated for inhibitory activity for Muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cells
50047029	1	ChEMBL_1555243 (CHEMBL3768769)	Transactivation of human PPARgamma expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay
50028995	7	ChEMBL_139630 (CHEMBL749164)	Compound was evaluated for inhibitory activity for Muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cells
50047029	2	ChEMBL_1555241 (CHEMBL3768767)	Transactivation of human PPARalpha expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay
50047029	3	ChEMBL_1555242 (CHEMBL3768768)	Transactivation of human PPARdelta expressed in African green monkey COS7 cells incubated overnight by dual-glo luciferase reporter gene assay
50047029	4	ChEMBL_1555240 (CHEMBL3768766)	Inhibition of human recombinant sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluorescence-based assay
50028997	2	ChEBML_139973	Compound was tested for its affinity for muscarinic M1 receptor
50028998	1	ChEMBL_139964 (CHEMBL749019)	Inhibitory constant by the inhibition of [3H]N-methylscopolamine (NMS) binding to m1 receptor of transfected A9L cells
50028998	2	ChEBML_138160	Inhibitory constant by the inhibition of [3H]N-methylscopolamine (NMS) binding to Muscarinic acetylcholine receptor M2 of rat heart
50028998	3	ChEBML_139964	Inhibitory constant by the inhibition of [3H]N-methylscopolamine (NMS) binding to m1 receptor of transfected A9L cells
50028999	2	ChEBML_28299	Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay
50028999	3	ChEBML_27996	Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay
50029000	1	ChEBML_29087	Inhibition of acetylcholinesterase
50029001	1	ChEBML_28922	Inhibition of Acetylcholinesterase activity in mouse brain homogenate
50029001	2	ChEBML_41578	Inhibitory concentration was determined in in vitro for Butyrylcholinesterase in rat plasma
50029001	3	ChEBML_29230	Inhibitory concentration in vitro and ex vivo for anti-AChE activity in rat brain
50029002	1	ChEBML_212347	In vitro concentration of compound required to inhibit 50% of trypsin
50029002	2	ChEBML_210583	In vitro concentration of compound required to inhibit 50% of 6 nM thrombin
50029002	3	ChEMBL_155065 (CHEMBL764383)	In vitro concentration of compound required to inhibit 50% of plasmin
50029002	4	ChEMBL_69536 (CHEMBL680625)	In vitro concentration of compound required to inhibit 50% of Factor Xa
50029002	5	ChEMBL_92232 (CHEMBL703578)	In vitro concentration of compound required to inhibit 50% of kallikrein
50029002	6	ChEBML_92231	In vitro concentration of compound required to inhibit 50% of Kallikrein
50029002	7	ChEBML_69536	In vitro concentration of compound required to inhibit 50% of Factor Xa
50029002	8	ChEBML_155065	In vitro concentration of compound required to inhibit 50% of plasmin
50029003	1	ChEBML_155877	Compound was evaluated for inhibition against Phospholipase A2 of Croatalus adamanteus
50029003	2	ChEBML_3892	Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells
50029004	1	ChEMBL_80641 (CHEMBL692519)	Compound was evaluated for inhibitory activity against HMG-CoA reductase from rat hepatocyte
50047030	1	ChEMBL_1555944 (CHEMBL3767299)	Inhibition of APN in porcine kidney microsomes preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 30 mins by plate reader analysis
50029004	3	ChEBML_80347	Compound was evaluated for inhibitory activity against HMG-CoA reductase in adrenal cell preparation
50029004	7	ChEBML_78490	In vitro inhibitory activity against isolated enzyme HMG-CoA reductase
50029004	6	ChEMBL_80646 (CHEMBL692523)	Compound was evaluated for inhibitory activity against rat hepatocyte
50029004	8	ChEBML_80646	Compound was evaluated for inhibitory activity against rat hepatocyte
50029006	1	ChEBML_96645	Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant
50047030	2	ChEMBL_1555945 (CHEMBL3767300)	Inhibition of HDAC1/HDAC2 in human HeLa cells nuclear extract preincubated for 5 mins before Boc-Lys (acetyl)-AMC substrate addition for 30 mins by microplate reader analysis
50047030	3	ChEMBL_1555946 (CHEMBL3767301)	Inhibition of APN in human ES2 cells preincubated for 5 mins before L-leu-p-nitroanilide substrate addition for 1 hr by photometry
50047031	1	ChEMBL_1556115 (CHEMBL3768359)	Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay
50029008	1	ChEBML_58710	Compound was tested against Dopamine receptor D2 by displacement of [125I]iodosulpiride radioligand from rat D2 clones
50029009	1	ChEBML_219265	Tested against glucagon receptor for its ability to displace radiolabeled ([125I]-glucagon) in male Dawley rat liver
50029010	1	ChEBML_209598	Dissociation constant was determined from radioligand binding studies in human platelet membranes using Thromboxane A2 receptor radioligand [3H]-SQ 29,548.
50029011	1	ChEBML_210276	Human microsomal Thromboxane synthase inhibition was determined by inhibiting TXB2 formation from [14C]- labelled arachidonic acid
50047031	2	ChEMBL_1556175 (CHEMBL3768629)	Inhibition of ATM in human U2OS cells assessed as inhibition of p53 phosphorylation at Ser15 residue
50047031	3	ChEMBL_1556176 (CHEMBL3768630)	Inhibition of ATM (unknown origin)
50047031	4	ChEMBL_1556177 (CHEMBL3768631)	Inhibition of flag-tagged ATM (unknown origin) using p53 as substrate by ELISA
50047031	5	ChEMBL_1556174 (CHEMBL3768628)	Inhibition of human ATM using p53 as substrate preincubated for 10 mins by ELISA
50047031	6	ChEMBL_1556161 (CHEMBL3768615)	Binding affinity to human NEK6
50047031	7	ChEMBL_1556162 (CHEMBL3768616)	Binding affinity to human TYK2 JH2 domain pseudokinase
50047032	1	ChEMBL_1553091 (CHEMBL3766609)	Inhibition of bovine tubulin assembly after 15 mins by turbidimetric analysis
50047033	1	ChEMBL_1553353 (CHEMBL3767923)	Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis
50047033	2	ChEMBL_1553354 (CHEMBL3767924)	Inhibition of human PARP2 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis
50047033	3	ChEMBL_1553356 (CHEMBL3767926)	Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay
50029025	1	ChEBML_140324	Tested for the ability to displace [3H]glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 uM
50047034	1	ChEMBL_1553783 (CHEMBL3766998)	Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis
50047034	2	ChEMBL_1553580 (CHEMBL3769112)	Inhibition of Indoleamine 2,3-dioxygenase in human HeLa cells in presence of L-tryptophan as substrate after 24 hrs in presence of L-tryptophan
50029027	2	ChEBML_140488	Tested for the NMDA antagonist activity using a functional assay, by protection of cultured hippocampus neurons from the toxic effects of extracellularly applied glutamate
50029028	1	ChEBML_140336	Tested for the ability to displace [3H]CGS-19,755 (10 nM) binding in rat forebrain membranes for NMDA receptor
50046943	4	ChEBML_1553805	Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis
50046943	5	ChEMBL_1553805 (CHEMBL3767020)	Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis
50046943	7	ChEMBL_1553801 (CHEMBL3767016)	Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assay
50047041	1	ChEMBL_1555329 (CHEMBL3769213)	Positive allosteric modulation of 5-HT2B receptor (unknown origin)
50047041	2	ChEMBL_1555330 (CHEMBL3769214)	Positive allosteric modulation of platelet-activating factor receptor (unknown origin)
50047041	3	ChEMBL_1555331 (CHEMBL3769215)	Positive allosteric modulation of mGluR6 (unknown origin)
50047041	4	ChEMBL_1555332 (CHEMBL3769216)	Positive allosteric modulation of mGluR5 (unknown origin)
50047041	5	ChEMBL_1555333 (CHEMBL3769217)	Positive allosteric modulation of mGluR4 (unknown origin)
50047041	6	ChEMBL_1555334 (CHEMBL3769218)	Positive allosteric modulation of mGluR3 (unknown origin)
50047041	7	ChEMBL_1555337 (CHEMBL3769221)	Positive allosteric modulation of rat mGluR2 by GTP-gamma-S binding assay
50047041	8	ChEMBL_1555338 (CHEMBL3769222)	Positive allosteric modulation of human mGluR2 by GTP-gamma-S binding assay
50047041	9	ChEMBL_1555347 (CHEMBL3766111)	Positive allosteric modulation of recombinant rat mGluR2 preincubated for 5 mins followed by stimulation with EC20 concentration of glutamate for 3 mins by FLIPR assay
50047041	10	ChEMBL_1555342 (CHEMBL3766106)	Positive allosteric modulation of recombinant human mGluR2 expressed in CHO cells preincubated for 5 mins followed by stimulation with EC20 concentration of glutamate for 3 mins by FLIPR assay
50047042	1	ChEMBL_1555558 (CHEMBL3768328)	Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned media after 2 hrs by fluorescence microscopic analysis
50029030	1	ChEBML_50179	In vitro test for inhibition of [125I]CCK binding to Cholecystokinin type A receptor from rat pancreatic tissues was determined
50029030	2	ChEBML_47956	In vitro test for inhibition of [125I]CCK binding to Cholecystokinin type B receptor from guinea pig cortical membranes was determined
50029031	1	ChEBML_90110	Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]inositol from racemic inositol monophosphate (1) containing [14C]-1
50047042	2	ChEMBL_1555561 (CHEMBL3768331)	Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned medium
50047043	1	ChEMBL_1555569 (CHEMBL3768549)	Inhibition of PI3K-beta (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay
50047043	2	ChEMBL_1555568 (CHEMBL3768548)	Inhibition of PI3K-delta (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay
50047043	3	ChEMBL_1555567 (CHEMBL3768547)	Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay
50047043	4	ChEMBL_1555795 (CHEMBL3766570)	Inhibition of mTOR kinase (unknown origin) assessed as suppression of ULight-4E-BP1 substrate phosphorylation incubated for 1 hr by lance ultra assay
50047043	5	ChEMBL_1555570 (CHEMBL3768550)	Inhibition of PI3K-gamma (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay
50029033	1	ChEBML_66418	The compound was evaluated for its affinity to the binding domain of immunophilin FK506 binding protein 12
50047044	1	ChEMBL_1556011 (CHEMBL3767675)	Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis
50047044	2	ChEMBL_1556012 (CHEMBL3767676)	Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of NAD+
50029036	1	ChEBML_211972	Compound was tested for inhibitory activity against recombinant Trypanothione reductase from Trypanosoma cruzi
50029040	1	ChEBML_48761	Compound was tested for its binding affinity towards Cholecystokinin type B receptor in cortical membranes (CNS)
50029040	2	ChEBML_47668	Compound was tested for its binding affinity towards Cholecystokinin type A receptor in pancreatic membranes
50029041	3	ChEMBL_35288 (CHEMBL647852)	Compound was evaluated for inhibition of Angiotensin II receptor, type 2 in rat midbrain AT2 assay
50029041	8	ChEMBL_35289 (CHEMBL647853)	Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,Ile8 angiotensin II binding assay
50047045	1	ChEMBL_1556024 (CHEMBL3767883)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis
50047045	2	ChEMBL_1556022 (CHEMBL3767686)	Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis
50029042	1	ChEBML_202262	Compound was tested for inhibition of squalene synthase in rat liver.
50029043	2	ChEBML_1806	Binding affinity against 5-hydroxytryptamine 1B receptor in rat striatal membranes using [3H]5-HT as radioligand
50047045	3	ChEMBL_1556023 (CHEMBL3767882)	Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis
50029046	1	ChEBML_86709	In vitro inhibition of LTB4 biosynthesis by human leukocytes
50029046	2	ChEMBL_3796 (CHEMBL619871)	In vitro inhibition of human recombinant 5-lipoxygenase enzyme
50029048	1	ChEBML_122780	Tested for enzyme affinity with purified bovine liver MAO A
50029048	2	ChEBML_123741	Tested for enzyme affinity with purified bovine liver MAO B
50029049	1	ChEBML_205952	Tested for inhibitory activity against substance P receptor.
50029051	2	ChEMBL_64182 (CHEMBL671689)	Tested for its inhibitory activity against Endothelin B receptor
50029051	3	ChEMBL_65809 (CHEMBL679712)	Tested for its inhibitory activity against Endothelin A receptor
50029051	4	ChEBML_64181	Tested for its ability to inhibit the binding of [125I]ET1 to the Endothelin B receptor in rat cerebellum membranes.
50029051	5	ChEBML_65809	Tested for its inhibitory activity against Endothelin A receptor
50029052	1	ChEBML_201267	The compound was evaluated for binding affinity against sigma opioid receptor using [3H]DTG radioligand in guinea pig membranes
50047045	4	ChEMBL_1556020 (CHEMBL3767684)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis
50029053	1	ChEBML_192729	The compound was evaluated for inhibitory activity against monkey plasma renin.
50047045	5	ChEMBL_1556019 (CHEMBL3767683)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum incubated for 15 mins by liquid scintillation counting analysis
50047045	6	ChEMBL_1556018 (CHEMBL3767682)	Antagonist activity at 5HT2A receptor in Sprague-Dawley rat ileum assessed as inhibition of 5-HT-induced contraction
50029056	2	ChEMBL_63805 (CHEMBL676196)	Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptide;compound was inactive
50029057	1	ChEBML_64137	Tested in vitro for its inhibitory effect against Elastase using Suc-Ala--Ala-Pro-Ala-pNA as substrate
50029058	1	ChEBML_202118	Tested in vitro for the inhibition of Squalene synthase activity, measured using juvenile male rat liver microsomes
50029061	1	ChEMBL_152479 (CHEMBL760717)	The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)
50029061	2	ChEBML_152479	The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)
50029061	3	ChEBML_63816	The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)
50029061	4	ChEMBL_194721 (CHEMBL807702)	The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)
50029061	5	ChEBML_194721	The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)
50029062	1	ChEBML_3839	The compound was tested in vitro for inhibition against 5-lipoxygenase in intact human neutrophils
50029063	1	ChEBML_201946	Compound was tested for its inhibitory activity against squalene epoxidase from rat liver microsomes
50029064	1	ChEBML_202116	Inhibition of rat liver squalene synthase(SQS)
50029064	2	ChEBML_201958	Inhibition of Candida albicans squalene synthase(SQS)
50029066	5	ChEMBL_72915 (CHEMBL684729)	Tested for the inhibition of recombinant human monofunctional Glycinamide ribonucleotide formyltransferase
50029066	3	ChEBML_72915	Tested for the inhibition of recombinant human monofunctional Glycinamide ribonucleotide formyltransferase
50029067	2	ChEBML_29639	Tested for inhibition of adenosine A1 receptor binding to rat brain
50047046	1	ChEMBL_1556249 (CHEMBL3769071)	Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry
50047046	2	ChEMBL_1556248 (CHEMBL3769070)	Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry
50047046	3	ChEMBL_1556052 (CHEMBL3767911)	Competition inhibition of recombinant human MAO-A pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Lineweaver-Burk plot method
50047046	4	ChEMBL_1556051 (CHEMBL3767910)	Competition inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Lineweaver-Burk plot method
50047046	5	ChEMBL_1556050 (CHEMBL3767909)	Inhibition of recombinant human MAO-A activity pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Michaelis-Menten method
50047046	6	ChEMBL_1556049 (CHEMBL3767908)	Inhibition of recombinant human MAO-B pretreated with compound for 15 mins followed by addition of 50 uM kynuramine as substrate by Michaelis-Menten method
50047047	1	ChEMBL_1556269 (CHEMBL3769268)	Inhibition of TPH1 (unknown origin)
50029071	2	ChEMBL_90983 (CHEMBL696530)	The compound was tested for its inhibitory activity against IL-1 beta converting enzyme
50029072	1	ChEBML_90984	The compound was tested for its inhibitory activity against IL-1 beta converting enzyme
50029074	1	ChEBML_143028	Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells
50029075	2	ChEMBL_157565 (CHEMBL763317)	Compound was evaluated for the inhibition of recombinant HIV-1 protease at 37 degrees C and pH of 6.
50047047	2	ChEMBL_1556286 (CHEMBL3769285)	Inhibition of TPH1 (unknown origin) using L-tyrosine as substrate after 20 mins
50029077	1	ChEBML_196101	The compound was tested for its inhibitory activity against human renal renin at pH 7
50029078	1	ChEBML_29235	Inhibition of acetylcholinesterase from rat striatal tissue
50029079	1	ChEBML_42767	Displacement of [3H]diltiazem from L-type calcium channel of guinea pig striated muscle
50047048	1	ChEMBL_1556292 (CHEMBL3769291)	Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leucine ligation to tRNA incubated for 5 mins by scintillation counting method in presence of ATP
50046943	6	ChEMBL_1553799 (CHEMBL3767014)	Inhibition of Plasmodium falciparum plasmepsin 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assay
50046943	8	ChEMBL_1553802 (CHEMBL3767017)	Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assay
50029084	1	ChEBML_4201	The compound was tested for the inhibition of 5-lipoxygenase in intact basophilic rat leukemia cells
50029086	1	ChEBML_159776	In vitro inhibition of HIV-1 protease at pH 6 using 164 uM peptide substrate
50029086	2	ChEBML_45163	The compound was tested for its inhibitory activity against human cathepsin D
50029086	3	ChEBML_196102	The compound was tested for its inhibitory activity against human renin
50029086	4	ChEBML_153972	The compound was tested for its inhibitory activity against human pepsin
50029086	5	ChEBML_71512	The compound was tested for its inhibitory activity against human gastricsin
50029086	6	ChEBML_45333	The compound was tested for its inhibitory activity against human cathepsin E
50029087	1	ChEBML_39914	Tested for inhibition of binding of soluble recombinant CD4-gp120 using ELISA assay
50029087	3	ChEMBL_39919 (CHEMBL655881)	Tested for rate constant of binding to inhibit soluble recombinant CD4-gp120; value ranges form 4-20 uM
50029088	1	ChEMBL_65094 (CHEMBL670571)	The compound was tested for the inhibition of Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).
50029088	2	ChEMBL_64963 (CHEMBL676329)	The compound was tested for the inhibition of Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).
50029088	3	ChEBML_65094	The compound was tested for the inhibition of Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP).
50029089	1	ChEBML_65093	Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate
50047049	1	ChEMBL_1553920 (CHEMBL3767740)	Agonist activity at estrogen receptor alpha in human MCF7:WS8 cells after 18 hrs by dual luciferase reporter assay
50029089	9	ChEMBL_65099 (CHEMBL670576)	Tested for the dissociation rate against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase
50029089	10	ChEMBL_65101 (CHEMBL670739)	Tested for the rate of association against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase
50029090	1	ChEBML_140830	Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase
50029092	1	ChEBML_196884	Tested for binding affinity of compound against S-adenosyl-L-homocysteine hydrolase
50047049	2	ChEMBL_1553924 (CHEMBL3767744)	Partial agonist activity at ERalpha in human MCF7:WS8 cells after 18 hrs by luciferase reporter gene assay
50047050	1	ChEMBL_1553957 (CHEMBL3767969)	Agonist activity at human androgen receptor expressed in mouse C2C12 cells cotransfected with GRE/ARE reporter plasmid assessed as receptor transactivation after 48 hrs by luciferase reporter gene assay
50047050	2	ChEMBL_1553956 (CHEMBL3767968)	Displacement of [3H]-methyltrienolone from progesterone receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scintillation counting method
50047050	3	ChEMBL_1553955 (CHEMBL3767967)	Displacement of [3H]-aldosterone from mineralocorticoid receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scintillation counting method
50047050	4	ChEMBL_1553954 (CHEMBL3767966)	Displacement of [3H]-dexamethasone from glucocorticoid receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scintillation counting method
50047050	5	ChEMBL_1553953 (CHEMBL3767965)	Displacement of [3H]-methyltrienolone from androgen receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta scintillation counting method
50047051	1	ChEMBL_1554117 (CHEMBL3768919)	Activation of recombinant human glucokinase assessed as NADPH formation using glucose as substrate incubated for 30 mins in presence of NADP+ and glucose 6-phosphate dehydrogenase
50029094	1	ChEBML_201272	Binding affinity for sigma receptor in guinea pig brain membrane using radiolabeled ligand [3H]-(+)-SKF- 10,047 was determined
50029094	3	ChEBML_59785	Binding affinity for dopamine receptor D2 in guinea pig striatal membrane using radiolabeled ligand [3H]spiperone
50029095	2	ChEMBL_201300 (CHEMBL805789)	Binding affinity for sigma receptor using [3H]-(+)-SKF- 10,047
50029095	3	ChEBML_201300	Binding affinity for sigma receptor using [3H]-(+)-SKF- 10,047
50029095	5	ChEBML_58315	Binding affinity towards dopamine D2 receptor using radiolabeled ligand [3H]spiperone
50029096	1	ChEBML_36002	Binding affinity against Angiotensin I converting enzyme
50029096	2	ChEBML_144639	Binding affinity against neutral endopeptidase
50029098	1	ChEMBL_159639 (CHEMBL763583)	Tested for inhibitory activity against the recombinant HIV-1 protease
50029098	2	ChEBML_79957	Tested for inhibitory activity against the recombinant HIV-1 protease
50029098	3	ChEMBL_79982 (CHEMBL690419)	Tested for inhibitory activity against the recombinant HIV-1 protease
50029098	4	ChEMBL_79957 (CHEMBL687728)	Tested for inhibitory activity against the recombinant HIV-1 protease
50047052	1	ChEMBL_1554146 (CHEMBL3769118)	Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay
50029100	1	ChEBML_201269	Binding affinity against sigma receptor in guinea pig brain preparation was estimated using [3H]3-PPP as radioligand
50029100	2	ChEBML_62242	Binding affinity against Dopamine receptor D2 in rat striatum using [3H]spiperone
50047052	2	ChEMBL_1554144 (CHEMBL3769116)	Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET assay
50029103	1	ChEBML_142728	Tested in vitro to inhibit the binding of [125I]NKA to its receptor in rat duodenum membrane
50029104	1	ChEBML_149062	Compound was tested for its ability to inhibit binding of Oxytocin to its Oxytocin receptor in rat uterine tissue
50029104	2	ChEBML_215042	Compound was tested for its ability to inhibit binding of arginine vasopressin to Vasopressin receptor (V1 subtype)
50029105	1	ChEBML_53890	Tested for ability to competitively inhibit hog kidney diamine oxidase (DAO) in a spectrometric assay
50029106	1	ChEBML_36774	Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiotensin to Angiotensin II receptor, type 1 in bovine adrenal cortex membrane.
50029107	1	ChEBML_138883	Concentration required for 50% inhibition of [3H]DAGO binding to mu opioid receptor in crude rat brain homogenates
50029109	4	ChEMBL_64037 (CHEMBL674514)	Displacement of [125I]ET1 from Endothelin B receptor of rat cerebellum
50047053	1	ChEMBL_1554155 (CHEMBL3769127)	Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay
50029110	1	ChEBML_162612	The compound was tested in vitro for its inhibitory activity against HIV-1 Proteinase activity
50029111	2	ChEMBL_68556 (CHEMBL679643)	In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes
50029112	1	ChEBML_65790	Inhibition of [125I]ET1 binding to Endothelin A receptor of murine 3T3 cells
50029112	2	ChEMBL_63199 (CHEMBL676567)	The inhibitory constant was evaluated against Endothelin A receptor in rabbit renal artery tissue
50029112	3	ChEBML_63510	The inhibitory constant was evaluated against Endothelin A receptor
50029112	4	ChEMBL_65791 (CHEMBL677972)	The compound was tested for the binding affinity against eEndothelin A receptor in murine 3T3 cells using [125I]ET1 as a radioligand
50029113	1	ChEBML_45365	The compound was tested for its potency to inhibit human Cathepsin G
50029113	2	ChEBML_144795	The compound was tested for its potency to inhibit human neutrophil elastase activity
50029113	3	ChEBML_216788	The compound was tested for its potency to inhibit alpha-Chymotrypsin
50047053	2	ChEMBL_1554161 (CHEMBL3769133)	Inhibition of human N-terminal truncated ChoKalpha1 (75 to 457 residues) using choline chloride as substrate measured over 10 to 30 mins by coupled ATP regeneration assay
50047053	3	ChEMBL_1554260 (CHEMBL3766474)	Binding affinity to carbonic anhydrase2 (unknown origin) by surface plasmon resonance assay
50029116	1	ChEBML_28507	Inhibitory activity was evaluated in rat liver microsomes using Acyl coenzyme A:cholesterol acyltransferase microsomal assay.
50029120	3	ChEMBL_216781 (CHEMBL817057)	Tested for inhibition of hydrolysis in presence of alpha-chymotrypsin and phenylboronic acid(Apparent inhibition constant)
50047053	4	ChEMBL_1554255 (CHEMBL3766469)	Inhibition of ChoKalpha in human MDA-MB-468 cells assessed as reduction in phosphocholine level after 24 hrs by NMR analysis
50047053	5	ChEMBL_1554256 (CHEMBL3766470)	Inhibition of ChoKalpha in human MDA-MB-415 cells assessed as reduction in phosphocholine level after 24 hrs by NMR analysis
50047053	6	ChEMBL_1554261 (CHEMBL3766475)	Inhibition of recombinant human ChoKalpha using choline as substrate by ultraviolet spectroscopic assay
50047054	1	ChEMBL_1554266 (CHEMBL3766654)	Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 mins by TR-FRET assay
50029123	1	ChEBML_48253	Compound was tested for the inhibition of specific binding of [125I]bolton Hunter CCK-8 to Cholecystokinin type B receptor in mouse cerebral cortex
50029123	2	ChEBML_50053	Compound was tested for the inhibition of specific binding of [125I]bolton Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas
50047054	2	ChEMBL_1554265 (CHEMBL3766653)	Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 mins by TR-FRET assay
50047054	3	ChEMBL_1554264 (CHEMBL3766652)	Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 mins by TR-FRET assay
50029126	1	ChEBML_63656	In vitro inhibitory activity against human leukocyte elastase
50029127	1	ChEBML_36007	Inhibitory activity against Angiotensin I converting enzyme
50029127	2	ChEBML_40184	Inhibitory activity against CCK-A receptor
50029127	3	ChEBML_48763	Inhibitory activity against Cholecystokinin type B receptor
50029128	1	ChEBML_196307	Inhibitory activity against renin was determined
50047054	4	ChEMBL_1554263 (CHEMBL3766477)	Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 mins by TR-FRET assay
50047054	5	ChEMBL_1554281 (CHEMBL3766669)	Inhibition of JAK2 in human PBMC assessed as reduction in GM-CSF-induced STAT5 phosphorylation preincubated for 5 mins followed by GM-CSF stimulation for 15 to 60 mins by flow cytometry analysis
50047054	6	ChEMBL_1554280 (CHEMBL3766668)	Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL-21-induced STAT3 phosphorylation preincubated for 5 mins followed by IL-21 stimulation for 15 to 60 mins by flow cytometry analysis
50047054	7	ChEMBL_1554278 (CHEMBL3766666)	Inhibition of TYK2/JAK1 in human PBMC assessed as reduction in IFNalpha-induced STAT1 phosphorylation preincubated for 5 mins followed by IFNalpha stimulation for 15 to 60 mins by flow cytometry analysis
50047054	8	ChEMBL_1554270 (CHEMBL3766658)	Inhibition of TYK2/JAK2 in human PBMC assessed as reduction in IL-23-induced STAT4 phosphorylation preincubated for 5 mins followed by IL-23 stimulation for 15 to 60 mins by flow cytometry analysis
50047054	9	ChEMBL_1554271 (CHEMBL3766659)	Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs
50029130	1	ChEBML_144313	The compound was tested for its inhibitory activity against neutral endopeptidase (EC.3.4.24.111) in rat kidney
50029131	1	ChEBML_138886	Tested for the binding affinity towards mu opioid receptor in rat brain homogenates by displacement of [3H]CTOP
50029131	2	ChEBML_146775	Tested for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates by displacement of [3H]p-Cl-DPDPE
50029132	1	ChEBML_139005	Tested in vitro for binding affinity against mu opioid receptor
50029132	2	ChEBML_145964	Tested in vitro for binding affinity against Opioid receptor kappa 1
50029133	2	ChEMBL_48092 (CHEMBL662289)	Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain
50029133	3	ChEBML_48092	Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain
50029133	6	ChEMBL_48599 (CHEMBL662478)	Tested for the inhibition of [3H]pCCK-8 binding to Merk CCK-B antagonist L365,260 receptor in rat brain membranes
50029134	3	ChEMBL_48596 (CHEMBL662476)	In vitro binding affinity against Cholecystokinin type B receptor of rat pancreatic acini
50029134	4	ChEMBL_47980 (CHEMBL657482)	In vitro binding affinity against Cholecystokinin type B receptor in guinea pig brain membranes
50047055	1	ChEMBL_1554286 (CHEMBL3766674)	Inhibition of HDAC in rat liver by fluorimetry
50047055	2	ChEMBL_1554290 (CHEMBL3766678)	Inhibition of recombinant human HDAC1 by fluorimetry
50047055	3	ChEMBL_1554285 (CHEMBL3766673)	Inhibition of recombinant human HDAC2 by fluorimetry
50029137	1	ChEBML_50202	Tested for its activity to inhibit the binding of [125I]CCK-33 to Cholecystokinin type A receptor in rat pancreas
50047055	4	ChEMBL_1554291 (CHEMBL3766679)	Inhibition of recombinant human HDAC6 by fluorimetry
50029137	5	ChEMBL_50202 (CHEMBL663495)	Tested for its activity to inhibit the binding of [125I]CCK-33 to Cholecystokinin type A receptor in rat pancreas
50047055	5	ChEMBL_1554292 (CHEMBL3766680)	Inhibition of recombinant human HDAC8 by fluorimetry
50047056	1	ChEMBL_1554313 (CHEMBL3766852)	Inhibition of rabbit muscle glycogen phosphorylase b
50047056	2	ChEMBL_1554315 (CHEMBL3766854)	Inhibition of glycogen phosphorylase in Wistar rat hepatocytes assessed as decrease in glucagon stimulated glucose release after 3 hrs by glucose oxidase method
50029138	3	ChEBML_50203	Ability to inhibit the binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas.
50047056	3	ChEMBL_1554316 (CHEMBL3766855)	Inhibition of glycogen phosphorylase in human hepatocytes assessed as decrease in glucagon stimulated glucose release after 3 hrs by glucose oxidase method
50047056	4	ChEMBL_1554425 (CHEMBL3767413)	Inhibition of glycogen phosphorylase in human hepatocytes assessed as glucagon stimulated glycogen content after 3 hrs by colorimetric GOD method
50029139	1	ChEBML_50201	The compound was tested for its activity to inhibit the binding of [3H]-L-364,718 to Cholecystokinin type A receptor in rat pancreas
50029139	4	ChEMBL_48271 (CHEMBL663176)	The compound was tested for its activity to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in mouse brain at a pH of 7.4
50029139	5	ChEBML_47973	The compound was tested for its activity to inhibit the binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig brain at a pH of 6.5
50047056	5	ChEMBL_1554435 (CHEMBL3767566)	Competitive inhibition of rabbit muscle glycogen phosphorylase b in presence of glucose 1-phosphate
50047056	6	ChEMBL_1554436 (CHEMBL3767567)	Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b
50047056	7	ChEMBL_1554437 (CHEMBL3767568)	Competitive inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burk plot analysis in presence of glucose 1-phosphate
50047056	8	ChEMBL_1554314 (CHEMBL3766853)	Inhibition of rabbit muscle glycogen phosphorylase using tritium-labeled glycogen as substrate by scintillation counter
50047058	1	ChEMBL_1554470 (CHEMBL3767767)	Inhibition of human Nav1.2 channel expressed in Xenopus oocytes by two-intracellular microelectrode voltage clamp method
50047058	2	ChEMBL_1554468 (CHEMBL3767599)	Inhibition of human SERT expressed in HEK293 cells preincubated for 30 mins followed by fluorescent substrate addition measured after 30 mins by plate reader analysis
50047058	3	ChEMBL_1554591 (CHEMBL3768478)	Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay
50047058	4	ChEMBL_1554477 (CHEMBL3767774)	Displacement of [125]I-cyanopindolol from recombinant human beta1 adrenergic receptor after 1 hr by scintillation counting method
50047058	5	ChEMBL_1554476 (CHEMBL3767773)	Displacement of [125]I-cyanopindolol from human recombinant beta2 adrenergic receptor after 1 hr by scintillation counting method
50029146	1	ChEBML_205807	Compound was evaluated for the inhibition of binding of [3H]SP in human IM-9 cells
50029147	2	ChEBML_142867	Inhibition of [125I]NKA binding to neurokinin NK2 receptor from rat duodenum membranes
50029148	3	ChEBML_144142	Compound was evaluated for its inhibitory activity against human neuropeptide Y1 receptor expressing SK-N-MC cells
50029149	1	ChEMBL_144293 (CHEMBL754794)	Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)
50047058	6	ChEMBL_1554475 (CHEMBL3767772)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation
50047058	7	ChEMBL_1554474 (CHEMBL3767771)	Inhibition of CYP2D6 in human liver microsomes assessed as dextraomethorphan O-demethylation
50029152	1	ChEBML_144305	Neurotensin receptor binding affinity by displacement of [3H]- neurotensin
50047058	8	ChEMBL_1554473 (CHEMBL3767770)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation
50047058	9	ChEMBL_1554472 (CHEMBL3767769)	Binding affinity to human ERG channel
50029154	1	ChEBML_84703	Ability to displace [3H]-pyrilamine from H1 receptor in rat brain membrane.
50047058	10	ChEMBL_1554471 (CHEMBL3767768)	Displacement of [3H]-diltiazem from human Cav1.2 channel
50029159	1	ChEBML_62571	Compound was tested for its binding affinity against Dopamine receptor D2 using [3H]raclopride radioligand
50029159	2	ChEBML_582	Compound was tested for its binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand
50029160	3	ChEMBL_98514 (CHEMBL706536)	Inhibition against LTB4 receptor in human neutrophil
50047058	11	ChEMBL_1554792 (CHEMBL3766304)	Inhibition of CYP1A2 in human liver microsomes
50047058	12	ChEMBL_1554793 (CHEMBL3766305)	Inhibition of CYP2B6 in human liver microsomes
50029161	1	ChEMBL_157862 (CHEMBL764751)	Inhibitory constant against HIV-1 protease was determined
50029161	2	ChEMBL_159632 (CHEMBL763423)	Inhibitory concentration required to inhibit HIV-1 protease was determined
50029162	1	ChEBML_148884	Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)
50029162	3	ChEMBL_148881 (CHEMBL753756)	Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)
50047058	13	ChEMBL_1554794 (CHEMBL3766306)	Inhibition of CYP2C8 in human liver microsomes
50047058	14	ChEMBL_1554795 (CHEMBL3766307)	Inhibition of CYP2C19 in human liver microsomes
50047058	15	ChEMBL_1554623 (CHEMBL3768719)	Inhibition of human dopamine transporter
50047058	16	ChEMBL_1554624 (CHEMBL3768720)	Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay
50029164	1	ChEBML_63039	Tested for Competitive binding inhibition of [3H]spiperone to Dopamine receptor D2 in rat striatal membrane.
50029165	4	ChEMBL_139843 (CHEMBL745741)	Displacement of [3H]QNB from muscarinic receptor 1 expressed in CHO-K1 cells
50047058	17	ChEMBL_1554626 (CHEMBL3768722)	Agonist activity at rhesus monkey beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay
50029166	1	ChEBML_65667	Binding affinity for Endothelin A receptor was determined in murine 3T3 cells
50029167	1	ChEBML_210564	Binding affinity was determined for Thromboxane A2 receptor in human platelet membrane in presence of [3H]-SQ-29,548 radioligand
50029168	1	ChEBML_209595	Binding affinity was determined for Thromboxane A2 receptor in human platelet membrane using [3H]SQ-29,548 radioligand
50047058	18	ChEMBL_1554628 (CHEMBL3768724)	Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presence of 40% serum
50029170	1	ChEBML_36931	Binding affinity against Angiotensin II type 1 Receptor in rabbit aortic tissue
50047058	19	ChEMBL_1554629 (CHEMBL3768725)	Agonist activity at rhesus monkey beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presence of 40% serum
50047058	20	ChEMBL_1554630 (CHEMBL3768726)	Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay in presence of 40% serum
50047058	21	ChEMBL_1554647 (CHEMBL3768743)	Activation of human PX receptor
50047058	22	ChEMBL_1554787 (CHEMBL3766299)	Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay
50047059	1	ChEMBL_1554804 (CHEMBL3766482)	Inhibition of human VEGFR-2 using poly(Glu, Tyr) as substrate by AlphaScreen assay
50047059	2	ChEMBL_1554803 (CHEMBL3766481)	Inhibition of human c-Met using poly(Glu, Tyr) as substrate by Luciferase-Coupled Chemiluminescence assay
50047059	3	ChEMBL_1554801 (CHEMBL3766479)	Inhibition of human RET using poly(Glu, Tyr) as substrate by Luciferase-Coupled Chemiluminescence assay
50047059	4	ChEMBL_1554802 (CHEMBL3766480)	Inhibition of human KIT using poly(Glu, Tyr) as substrate by AlphaScreen assay
50047059	5	ChEMBL_1554805 (CHEMBL3766483)	Inhibition of human TIE2 using poly(Glu, Tyr) as substrate by [33P]-phosphoryl transfer assay
50047059	6	ChEMBL_1554806 (CHEMBL3766484)	Inhibition of human FLT3 using poly(Glu, Tyr) as substrate by Luciferase-Coupled Chemiluminescence assay
50047059	7	ChEMBL_1554807 (CHEMBL3766485)	Inhibition of human AXL using poly(Glu, Tyr) as substrate
50047059	8	ChEMBL_1554808 (CHEMBL3766486)	Inhibition of c-Met phosphorylation in human PC3 cells incubated for 1 to 3 hrs
50047059	9	ChEMBL_1554809 (CHEMBL3766487)	Inhibition of VEGFR-2 phosphorylation in HUVEC incubated for 1 to 3 hrs
50047059	10	ChEMBL_1554810 (CHEMBL3766488)	Inhibition of FLT3 (unknown origin) phosphorylation transfected in mouse BAF3 cells incubated for 1 to 3 hrs
50047059	11	ChEMBL_1554811 (CHEMBL3766489)	Inhibition of AXL phosphorylation in human MDA-MB-231 cells incubated for 1 to 3 hrs
50047059	12	ChEMBL_1554812 (CHEMBL3766490)	Inhibition of KIT (unknown origin) phosphorylation transfected in human MDA-MB-231 cells incubated for 1 to 3 hrs
50047059	13	ChEMBL_1554813 (CHEMBL3766491)	Inhibition of Met (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by Luciferase-Coupled Chemiluminescence assay
50047059	14	ChEMBL_1554814 (CHEMBL3766492)	Inhibition of KDR (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by Luciferase-Coupled Chemiluminescence assay
50047059	15	ChEMBL_1554815 (CHEMBL3766493)	Inhibition of RON (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by Luciferase-Coupled Chemiluminescence assay
50047059	16	ChEMBL_1554816 (CHEMBL3766494)	Inhibition of Flt-1 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 1 hr by AlphaScreen assay
50047059	17	ChEMBL_1554817 (CHEMBL3766495)	Inhibition of Flt-4 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 1 hr by AlphaScreen assay
50047059	18	ChEMBL_1554824 (CHEMBL3766502)	Inhibition of recombinant N-terminal GST-tagged human Met using FLPeptide 2 as substrate after 90 mins by mobility shift assay
50047059	19	ChEMBL_1554825 (CHEMBL3766503)	Inhibition of recombinant N-terminal 6His-tagged VEGFR-2 (unknown origin) using FL-Peptide 22 as substrate after 90 mins by mobility shift assay
50047059	20	ChEMBL_1554835 (CHEMBL3766513)	Competitive inhibition of c-Met (unknown origin) in presence of ATP
50047059	21	ChEMBL_1554836 (CHEMBL3766514)	Competitive inhibition of VEGFR2 (unknown origin) in presence of ATP
50047059	22	ChEMBL_1555012 (CHEMBL3767452)	Inhibition of Axl (unknown origin)
50047059	23	ChEMBL_1555013 (CHEMBL3767453)	Inhibition of Ron (unknown origin)
50047059	24	ChEMBL_1555014 (CHEMBL3767454)	Inhibition of Flt-3 (unknown origin)
50047059	25	ChEMBL_1555015 (CHEMBL3767455)	Inhibition of c-Met (unknown origin) by tumor cell growth inhibition assay
50047059	26	ChEMBL_1555016 (CHEMBL3767456)	Inhibition of VEGFR-1 (unknown origin) by tumor cell growth inhibition assay
50047059	27	ChEMBL_1555017 (CHEMBL3767457)	Inhibition of VEGFR-2 (unknown origin) by tumor cell growth inhibition assay
50047059	28	ChEMBL_1555018 (CHEMBL3767458)	Inhibition of VEGFR-3 (unknown origin) by tumor cell growth inhibition assay
50047059	29	ChEMBL_1555019 (CHEMBL3767459)	Inhibition of c-Met (unknown origin) by AlphaScreen assay
50047059	30	ChEMBL_1555020 (CHEMBL3767460)	Inhibition of VEGFR-1 (unknown origin) by AlphaScreen assay
50047059	31	ChEMBL_1555021 (CHEMBL3767461)	Inhibition of VEGFR-2 (unknown origin) by AlphaScreen assay
50047059	32	ChEMBL_1555022 (CHEMBL3767600)	Inhibition of VEGFR-3 (unknown origin) by AlphaScreen assay
50047059	33	ChEMBL_1555023 (CHEMBL3767601)	Inhibition of HGF induced c-Met phosphorylation in human A549 cells after 10 mins by Western blot analysis
50047059	34	ChEMBL_1555024 (CHEMBL3767602)	Inhibition of VEGF induced VEGFR2 phosphorylation in HUVEC after 5 mins by Western blot analysis
50047059	35	ChEMBL_1555025 (CHEMBL3767603)	Inhibition of constitutively activated c-Met phosphorylation in human SNU5 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	36	ChEMBL_1555026 (CHEMBL3767604)	Inhibition of constitutively activated c-Met phosphorylation in HUVEC assessed as cell viability after 72 hrs by CCK8 assay
50047059	37	ChEMBL_1555028 (CHEMBL3767606)	Inhibition of constitutively activated c-Met phosphorylation in human SNU638 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	38	ChEMBL_1555029 (CHEMBL3767607)	Inhibition of constitutively activated c-Met phosphorylation in human MKN45 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	39	ChEMBL_1555030 (CHEMBL3767608)	Inhibition of constitutively activated c-Met phosphorylation in human EBC1 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	40	ChEMBL_1555031 (CHEMBL3767609)	Inhibition of constitutively activated c-Met phosphorylation in human NUGC4 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	41	ChEMBL_1555032 (CHEMBL3767610)	Inhibition of constitutively activated c-Met phosphorylation in human Hs 746T cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	42	ChEMBL_1555033 (CHEMBL3767611)	Inhibition of constitutively activated c-Met phosphorylation in human OE33 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	43	ChEMBL_1555034 (CHEMBL3767612)	Inhibition of constitutively activated c-Met phosphorylation in human KATO III cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	44	ChEMBL_1555035 (CHEMBL3767613)	Inhibition of constitutively activated c-Met phosphorylation in human SNU620 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	45	ChEMBL_1555036 (CHEMBL3767614)	Inhibition of constitutively activated c-Met phosphorylation in human SNU668 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	46	ChEMBL_1555037 (CHEMBL3767615)	Inhibition of constitutively activated c-Met phosphorylation in human U87MG cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	47	ChEMBL_1555038 (CHEMBL3767616)	Inhibition of constitutively activated c-Met phosphorylation in human SNU484 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	48	ChEMBL_1555039 (CHEMBL3767617)	Inhibition of constitutively activated c-Met phosphorylation in human AGS cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	49	ChEMBL_1555040 (CHEMBL3767618)	Inhibition of constitutively activated c-Met phosphorylation in human A549 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	50	ChEMBL_1555041 (CHEMBL3767619)	Inhibition of constitutively activated c-Met phosphorylation in human COLO205 cells assessed as cell viability after 72 hrs by CCK8 assay
50047059	51	ChEMBL_1555042 (CHEMBL3767620)	Inhibition of c-Met (unknown origin)
50029174	1	ChEBML_142736	Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells
50047059	52	ChEMBL_1554826 (CHEMBL3766504)	Inhibition of c-Met autophosphorylation in human MKN45 cells after 2 hrs by Western blot analysis
50047059	53	ChEMBL_1554827 (CHEMBL3766505)	Inhibition of VEGFR-2 autophosphorylation in HUVEC after 1 hr by Western blot analysis
50047060	1	ChEMBL_1555047 (CHEMBL3767625)	Inverse agonist activity at human CAR-LBD transfected in CV-1 cells after 24 hrs by luciferase reporter gene assay
50029177	1	ChEBML_64958	Dissociation constant was calculated for Escherichia coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase
50029177	2	ChEMBL_64960 (CHEMBL676326)	Inhibitory activity was evaluated against Escherichia coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase
50047060	2	ChEMBL_1555046 (CHEMBL3767624)	Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-SRC1 coactivator recruitment after 1 hr by TR-FRET assay
50047060	3	ChEMBL_1555045 (CHEMBL3767623)	Inverse agonist activity at GAL4 fused-human CAR-LBD transfected HEK293 cells after 24 hrs by luciferase reporter gene assay
50047060	4	ChEMBL_1555043 (CHEMBL3767621)	Binding affinity to biotinylated human CAR LBD after 1 hr by Scintillation Proximity Assay
50047060	5	ChEMBL_1555044 (CHEMBL3767622)	Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET assay
50029179	1	ChEBML_162611	Inhibitory activity against HIV-1 proteinase
50047061	1	ChEMBL_1555048 (CHEMBL3767626)	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reader method
50029185	1	ChEMBL_35271 (CHEMBL648576)	Inhibitory concentration of compound to AT2 receptor of bovine cerebellum
50029187	1	ChEMBL_159640 (CHEMBL763584)	Inhibitory activity against HIV-1 protease
50029187	3	ChEMBL_159294 (CHEMBL763334)	Compound was evaluated for its inhibitory activity in recombinant HIV-l protease
50047061	2	ChEMBL_1555051 (CHEMBL3767629)	Inhibition of catalase (unknown origin) using hydrogen peroxide as substrate
50029190	1	ChEMBL_157860 (CHEMBL764749)	Inhibitory constant against HIV-1 protease
50047061	3	ChEMBL_1555052 (CHEMBL3767630)	Inhibition of CYP3A4 (unknown origin)
50047061	4	ChEMBL_1555056 (CHEMBL3767634)	Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning at 400 uM after 24 hrs by microtiter plate reader
50047061	5	ChEMBL_1555057 (CHEMBL3767635)	Inhibition of doxycycline-induced human IDO1 expressed in Trex cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning at 400 uM after 24 hrs by microtiter plate reader
50047061	6	ChEMBL_1555060 (CHEMBL3767806)	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by Michaelis-Menton plot analysis
50047061	7	ChEMBL_1555055 (CHEMBL3767633)	Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 3-fold serial dilution beginning at 100 uM after 24 hrs by microtiter plate reader
50029193	2	ChEMBL_218223 (CHEMBL821408)	Inhibition of fibrinogen binding to purified immobilized alpha IIb beta-3 integrin isolated from membranes of human blood platelets.
50029194	1	ChEBML_210120	Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 receptor) precontracted by U-46619 (3 x 10 e-8 M)
50029194	2	ChEMBL_210119 (CHEMBL814435)	Tested for antagonistic activity on isolated rat thoracic aorta (TXA2 receptor) precontracted by U-46619 (3 x 10 e-8 M)
50029195	2	ChEBML_35408	In vitro binding affinity towards Angiotensin II receptor, type 2 determined as its ability to displace 125I-Sarl,Ile8-AII from the receptor expressed in rat midbrain membrane.
50029196	1	ChEBML_142730	Tested for binding affinity by measuring displacement of [125I]SP from human NK-1 receptor in CHO Cells
50047062	1	ChEMBL_1555070 (CHEMBL3767816)	Displacement of 5-(Dimethylamino)-2-(6-((5-(4-(4-methylpiperidin-1-yl)butyl)-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)hexyl)isoindoline-1,3-dione from sigma 1 receptor (unknown origin) expressed in MCF7 after 75 mins by flow cytometry
50047062	2	ChEMBL_1555269 (CHEMBL3768981)	Displacement of 5-(Dimethylamino)-2-(6-((5-(4-(4-methylpiperidin-1-yl)butyl)-5,6,7,8-tetrahydronaphthalen-2-yl)oxy)hexyl)isoindoline-1,3-dione from sigma 1 receptor (unknown origin) expressed in MCF7 after 45 mins by flow cytometry in presence of 2-(3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one
50047062	3	ChEMBL_1555270 (CHEMBL3768982)	Displacement of 5-(Dimethylamino)-2-{6-[(5-(4-(4-methylpiperidin-1-yl)butyl)naphthalen-2-yl)oxy]hexyl}isoindole-1,3-dione from sigma 1 receptor (unknown origin) expressed in MCF7 cells after 75 mins by flow cytometry
50047062	4	ChEMBL_1555271 (CHEMBL3768983)	Displacement of 5-(Dimethylamino)-2-{6-[(5-(4-(4-methylpiperidin-1-yl)butyl)naphthalen-2-yl)oxy]hexyl}isoindole-1,3-dione from sigma 1 receptor (unknown origin) expressed in MCF7 cells after 45 mins by flow cytometry in presence of 2-(3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one
50047062	5	ChEMBL_1555061 (CHEMBL3767807)	Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins
50047063	1	ChEMBL_1555282 (CHEMBL3768994)	Inhibition of wild-type B-Raf (unknown origin) using MEK1 K97M as substrate preincubated for 90 mins followed by substrate addition measured after 1 hr by fluorescence polarization assay
50047063	2	ChEMBL_1555283 (CHEMBL3768995)	Inhibition of B-Raf V600E mutant (unknown origin) using MEK1 K97M as substrate preincubated for 90 mins followed by substrate addition measured after 1 hr by fluorescence polarization assay
50047064	1	ChEMBL_1555503 (CHEMBL3768085)	Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by fluorescence polarization competition assay
50047064	2	ChEMBL_1555508 (CHEMBL3768090)	Binding affinity to recombinant rat calcium loaded S100-B by fluorescence spectrophotometric analysis
50047064	3	ChEMBL_1555507 (CHEMBL3768089)	Binding affinity to recombinant rat calcium loaded S100-B by isothermal titration calorimetry
50047064	4	ChEMBL_1555504 (CHEMBL3768086)	Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis
50047065	1	ChEMBL_1555515 (CHEMBL3768097)	Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by FRET assay
50047065	2	ChEMBL_1555516 (CHEMBL3768098)	Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by FRET assay
50047065	3	ChEMBL_1555519 (CHEMBL3768101)	Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis
50047065	4	ChEMBL_1555520 (CHEMBL3768102)	Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis
50029201	2	ChEBML_214154	Displacement from vitamin D receptor in chick intestine: 50% displacement
50047065	5	ChEMBL_1555511 (CHEMBL3768093)	Binding affinity to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by FRET assay
50047065	6	ChEMBL_1555512 (CHEMBL3768094)	Binding affinity to human CRBN (delta 1 to 315) by FRET assay
50047066	1	ChEMBL_1555756 (CHEMBL3766367)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay
50029203	2	ChEMBL_34824 (CHEMBL648758)	In vitro binding affinity towards Angiotensin II receptor, type 1 to displace 125I[Sar,Ile] from rat brain tissue preparation
50029203	8	ChEMBL_35409 (CHEMBL647508)	In vitro binding affinity towards Angiotensin II receptor, type 2 to displace 125I[Sar,Ile] from rat adrenal tissue preparation
50029204	1	ChEMBL_36159 (CHEMBL646971)	Inhibition of [125I]AII binding to angiotensin II receptor of bovine adrenal cortex
50047066	2	ChEMBL_1555757 (CHEMBL3766368)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay
50047066	3	ChEMBL_1555758 (CHEMBL3766369)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay
50047066	4	ChEMBL_1555759 (CHEMBL3766370)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay
50029208	1	ChEMBL_34825 (CHEMBL648759)	In vitro inhibition of specific binding of [125I]AII to Angiotensin II receptor, type 1 from rat liver membrane
50029210	1	ChEMBL_36945 (CHEMBL648848)	In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit aorta membranes
50029210	2	ChEMBL_35438 (CHEMBL643798)	In vitro binding affinity determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from AT2 receptor in rat midbrain membranes
50029211	2	ChEMBL_36163 (CHEMBL646975)	Inhibition of [125l]-All binding to bovine adrenal cortex
50029212	1	ChEMBL_36164 (CHEMBL646976)	Binding affinity for angiotensin II receptor of bovine adrenal cortex
50029213	2	ChEMBL_35560 (CHEMBL645745)	Inhibition of rat midbrain angiotensin II type 2 receptor
50029214	1	ChEMBL_34944 (CHEMBL647787)	Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane
50029215	1	ChEMBL_34945 (CHEMBL647788)	Receptor binding affinity determined from competitive binding assay using 1251 labelled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes
50046944	5	ChEMBL_1555977 (CHEMBL3767485)	Inhibition of CDK2/Cyclin E (unknown origin)
50046944	4	ChEMBL_1555953 (CHEMBL3767308)	Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP
50029217	1	ChEBML_36772	Inhibition of [125I][Ile5]-AII binding to bovine adrenal cortex membrane Angiotensin II receptor type 1
50029218	1	ChEMBL_35439 (CHEMBL643799)	In vitro binding affinity to AT2 receptor determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from AT2 receptor in rabbit midbrain membrane
50046944	11	ChEMBL_1555952 (CHEMBL3767307)	Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP
50029218	3	ChEMBL_35437 (CHEMBL643797)	In vitro binding affinity at AT2 receptor determined by its ability to displace the specific binding ligand [125I]-Sar1, Ile8-AII from rat brain membrane
50046944	1	ChEMBL_1555766 (CHEMBL3766377)	Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50029219	2	ChEMBL_35257 (CHEMBL648563)	Tested for Angiotensin II receptor, type 1 affinity in the presence of 0.25% BSA
50029219	3	ChEMBL_34831 (CHEMBL648765)	Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50
50029219	4	ChEMBL_35259 (CHEMBL648565)	Tested for binding affinity to Angiotensin II receptor, type 1
50029219	5	ChEMBL_35256 (CHEMBL648562)	Tested for Angiotensin II receptor, type 1 affinity in the absence of bovine serum albumin (BSA)
50029220	1	ChEMBL_35260 (CHEMBL648566)	Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)
50029221	1	ChEMBL_36168 (CHEMBL646980)	Concentration required to inhibit [125I]AII binding to Angiotensin II receptor from membrane fractions of bovine adrenal cortex
50029225	2	ChEMBL_35440 (CHEMBL643800)	In vitro inhibitory activity against angiotensin II (AT2) receptor to displace 125I-Sar,Ile8-AII in rat midbrain
50046944	2	ChEMBL_1555950 (CHEMBL3767305)	Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50029226	1	ChEMBL_35441 (CHEMBL643801)	In vitro displacement of 125I-[Sar1, Ile8] from AT2 receptors in rat midbrain
50029226	2	ChEMBL_34643 (CHEMBL647288)	In vitro displacement of 125I-[Sar1, Ile8] from AT1 receptors in rabbit aorta membrane
50029227	2	ChEMBL_35561 (CHEMBL645746)	In vitro for binding affinity against angiotensin II receptor type 2 in rat midbrain membrane
50047067	2	ChEMBL_1553191 (CHEMBL3767149)	Inhibition of IKKbeta (unknown origin) by TR-FRET assay
50047068	1	ChEMBL_1553874 (CHEMBL3767388)	Inhibition of human factor 12a using S-2302 as substrate assessed as para-nitroaniline release preincubated for 10 mins followed by substrate addition measured after 30 mins by HPLC-UV analysis
50047069	1	ChEMBL_1553878 (CHEMBL3767532)	Inhibition of recombinant human EGFR L858R/T790M double mutant assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay
50047069	2	ChEMBL_1553877 (CHEMBL3767531)	Inhibition of wild type recombinant human EGFR assessed as reduction in autophosphorylation of cytoplasmic domain by Z'-Lyte assay
50047070	1	ChEBML_1553894	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay
50047071	1	ChEBML_1554540	Inhibition of human recombinant COX-2 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate addition incubated for 2 mins by ELISA
50047071	2	ChEBML_1554539	Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as PGE2 production preincubated for 10 mins followed by substrate addition incubated for 2 mins by ELISA
50029233	1	ChEMBL_79795 (CHEMBL696055)	Inhibitory activity was determined against HIV-1 protease.
50029233	2	ChEMBL_79799 (CHEMBL696059)	Inhibitory activity against HIV-1 protease
50029234	1	ChEMBL_205642 (CHEMBL813250)	In vitro inhibition of human recombinant stromelysin-1.
50029234	2	ChEMBL_49512 (CHEMBL662807)	In vitro inhibition of human fibroblast collagenase.
50047070	3	ChEMBL_1553894 (CHEMBL3767548)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay
50047070	2	ChEMBL_1553891 (CHEMBL3767545)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50047073	1	ChEMBL_1554222 (CHEMBL3766261)	Inhibition of rat intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method
50029237	1	ChEMBL_144303 (CHEMBL754348)	Equilibrium dissociation constant at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM
50029238	1	ChEMBL_79794 (CHEMBL696054)	Inhibitory activity against HIV-1 protease
50047073	2	ChEMBL_1554225 (CHEMBL3766264)	Competitive inhibition of rat intestinal sucrase using sucrose as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50047074	1	ChEMBL_1554253 (CHEMBL3766467)	Agonist activity at human alpha7 receptor expressed in mouse Neuro2a cells assessed as induction of intracellular calcium level preincubated with PNU-120596 for 20 mins followed by compound addition measured every 2 sec for 3 mins by fluorescence microplate reader analysis
50047075	1	ChEMBL_1554385 (CHEMBL3767219)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay
50029240	1	ChEMBL_160755 (CHEMBL769069)	Concentration required for inhibitory activity against HIV-1 protease
50029241	1	ChEMBL_195791 (CHEMBL801712)	Inhibition of human plasma renin at pH 65.0
50047075	2	ChEMBL_1554386 (CHEMBL3767220)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay
50047075	3	ChEMBL_1554387 (CHEMBL3767221)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay
50029243	1	ChEMBL_161278 (CHEMBL772959)	Inhibition of Protein kinase C gamma (PKC)
50029243	2	ChEMBL_160451 (CHEMBL762482)	Inhibition of Protein kinase C beta
50029243	5	ChEMBL_160964 (CHEMBL769125)	Inhibition of Protein kinase C epsilon
50047075	4	ChEMBL_1554388 (CHEMBL3767222)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay
50029243	10	ChEMBL_160140 (CHEMBL768986)	Inhibition of Protein kinase C alpha
50029244	2	ChEMBL_88 (CHEMBL615208)	Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase (OSC)
50029244	3	ChEMBL_87 (CHEMBL827084)	Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase
50047076	1	ChEMBL_1554419 (CHEMBL3767407)	Activation of PXR (unknown origin)
50047072	6	ChEMBL_1554564 (CHEMBL3768257)	Binding affinity to recombinant 5-HT2A receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047072	10	ChEMBL_1554562 (CHEMBL3768255)	Binding affinity to recombinant 5-HT1D receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047072	4	ChEMBL_1554554 (CHEMBL3768247)	Displacement of [3H]LSD from 5-HT7 receptor (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method
50047072	5	ChEMBL_1554575 (CHEMBL3768462)	Binding affinity to recombinant 5-HT6 receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50029247	1	ChEMBL_70325 (CHEMBL677005)	Inhibition of Fibrinogen Receptor
50029248	1	ChEMBL_160260 (CHEMBL767021)	Inhibition of [3H]PDBU binding to Protein kinase C alpha
50029248	3	ChEMBL_160258 (CHEMBL768538)	Inhibition of [3H]PDBU binding to Protein kinase C alpha
50047072	8	ChEMBL_1554556 (CHEMBL3768249)	Binding affinity to recombinant 5-HT7 receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50029249	1	ChEMBL_79810 (CHEMBL696070)	Concentration required for in vitro inhibition of HIV-1 protease
50029249	2	ChEBML_159322	Concentration required for in vitro inhibition of HIV-1 protease
50029250	1	ChEBML_159323	Concentration required for in vitro inhibitory activity against HIV-1 protease
50029250	2	ChEMBL_159323 (CHEMBL769376)	Concentration required for in vitro inhibitory activity against HIV-1 protease
50047072	11	ChEMBL_1554580 (CHEMBL3768467)	Inhibition of human ERG expressed in CHO-K1 cells by patch clamp method
50047072	7	ChEMBL_1554567 (CHEMBL3768260)	Binding affinity to recombinant 5-HT2B receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047072	9	ChEMBL_1554572 (CHEMBL3768265)	Binding affinity to recombinant 5-HT5 receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50029253	2	ChEMBL_163481 (CHEMBL772394)	Transcriptional activation for RAR gamma receptor
50029253	3	ChEMBL_163473 (CHEMBL772308)	Transcriptional activation for RAR alpha receptor
50029253	1	ChEMBL_164856 (CHEMBL769014)	Transcriptional activation for RXR alpha receptor
50029253	4	ChEMBL_163477 (CHEMBL772312)	Transcriptional activation for RAR beta receptor
50029254	1	ChEMBL_66414 (CHEMBL677108)	Ability to displace radiolabeled FK-506 derivative from FK506 binding protein 12
50047072	1	ChEMBL_1554569 (CHEMBL3768262)	Binding affinity to recombinant 5-HT2C receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047072	2	ChEMBL_1554557 (CHEMBL3768250)	Binding affinity to recombinant 5-HT1A receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047072	3	ChEMBL_1554559 (CHEMBL3768252)	Binding affinity to recombinant 5-HT1B receptor (unknown origin) after 1.5 hrs by radioligand displacement assay
50047077	1	ChEMBL_1554725 (CHEMBL3769180)	Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis
50047080	1	ChEBML_1554922	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047079	1	ChEMBL_1553280 (CHEMBL3767512)	Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by spectrophotometric-based Ellman's method
50047079	2	ChEMBL_1553289 (CHEMBL3767521)	Inhibition of human recombinant MAO-A using p-tyramine substrate after 15 mins by fluorimetric analysis
50047079	3	ChEMBL_1553290 (CHEMBL3767522)	Inhibition of human recombinant MAO-B using p-tyramine substrate after 15 mins by fluorimetric analysis
50047079	4	ChEMBL_1553286 (CHEMBL3767518)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by spectrophotometric-based Ellman's method
50047079	5	ChEMBL_1553285 (CHEMBL3767517)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by spectrophotometric-based Ellman's method
50029257	1	ChEMBL_35261 (CHEMBL648567)	Displacement of [125I]- Ang II from type 1 Angiotensin II receptor
50029257	2	ChEMBL_35262 (CHEMBL648568)	The compound was tested for the ability to displace 50% of totally specifically bound [125I]- Ang II from Angiotensin II receptor, type 1 site
50029257	3	ChEMBL_35423 (CHEMBL643597)	The compound was tested for the ability to displace 50% of totally specifically bound [125I]- Ang II from Angiotensin II receptor, type 2
50047079	6	ChEMBL_1553281 (CHEMBL3767513)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by spectrophotometric-based Ellman's method
50047081	1	ChEMBL_1553495 (CHEMBL3768666)	Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-MS analysis
50047081	2	ChEBML_1553309	Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellular 2-AG level incubated for 20 mins by LC-MS analysis
50011235	1	ChEMBL_1998148 (CHEMBL4650005)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011235	2	ChEMBL_1998154 (CHEMBL4650011)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50011235	3	ChEMBL_1998158 (CHEMBL4650015)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-D543) by alphascreen assay
50011235	4	ChEMBL_1998160 (CHEMBL4650017)	Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay
50011235	5	ChEMBL_1998338 (CHEMBL4650195)	Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: L14-Q143
50047080	3	ChEMBL_1554922 (CHEMBL3767074)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047080	2	ChEMBL_1554921 (CHEMBL3767073)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50029261	1	ChEBML_66420	Binding affinity towards immunophilin cytosolic protein FK506 binding protein 12 was determined
50029262	1	ChEBML_202265	Inhibitory activity against squalene synthase in rat liver squalene synthase (RLSS) enzyme assay
50029265	1	ChEBML_195739	Binding affinity towards human renin was determined
50029266	2	ChEBML_36169	In vitro Angiotensin II receptor antagonism in bovine adrenal cortex tissue.
50029267	1	ChEMBL_36161 (CHEMBL646973)	Binding affinity expressed as inhibitory concentration towards bovine adrenal cortex angiotensin II receptor was measured
50047083	1	ChEMBL_1554928 (CHEMBL3767080)	Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo luminescence assay
50029267	3	ChEBML_36161	Binding affinity expressed as inhibitory concentration towards bovine adrenal cortex angiotensin II receptor was measured
50047083	2	ChEMBL_1554930 (CHEMBL3767082)	Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay
50047083	3	ChEMBL_1554927 (CHEMBL3767079)	Inhibition of PI3Kgamma (unknown origin) incubated for 60 mins by kinase-glo luminescence assay
50047083	4	ChEMBL_1554932 (CHEMBL3767084)	Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo luminescence assay
50047083	5	ChEMBL_1554934 (CHEMBL3767086)	Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay
50029269	1	ChEBML_221489	Inhibition of p56 Lck tyrosine kinase
50047084	1	ChEMBL_1555395 (CHEMBL3766329)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ formation by spectrophotmetry in presence of NADH
50029272	1	ChEBML_36166	In vitro binding affinity to angiotensin II receptor in bovine adrenal cortex
50047085	1	ChEMBL_1555888 (CHEMBL3767105)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047085	2	ChEMBL_1555887 (CHEMBL3767104)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50029276	1	ChEMBL_142699 (CHEMBL744931)	In vitro binding affinity towards human NK-1 receptor in IM-9 cells using [3H]SP of substance P antagonist
50029277	1	ChEMBL_156193 (CHEMBL767137)	In vitro inhibition tested against Phospholipase A2 (HSF-PLA2) by monitoring hydrolysis of [3H]- arachidonic acid labeled Escherichia coli at 50 uM
50029277	2	ChEMBL_156194 (CHEMBL767138)	In vitro inhibitory activity against human synovial fluid phospholipase A2 (HSF-PLA2) by monitoring hydrolysis of [3H]arachidonic acid labeled Escherichia coli
50029279	1	ChEBML_205576	Binding affinity towards human Tachykinin receptor 1 by the displacement of [125I]- Substance P in CHO Cells
50047085	3	ChEMBL_1555889 (CHEMBL3767106)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50029281	1	ChEBML_202109	In vitro inhibition of rat squalene synthase
50029282	1	ChEBML_201734	In vitro binding affinity towards sigma receptor by the displacement of [3H]PPP from guinea pig brain
50029282	2	ChEBML_201053	In vitro binding affinity towards serotonin 5-HT2A receptor by the displacement of [3H]spiperone from rat cortical membranes
50029282	3	ChEBML_201033	In vitro binding affinity towards serotonin 5-HT1A receptor by the displacement of [3H]8-OH-DPAT from rat hippocampus
50029283	1	ChEBML_91007	Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)
50029285	2	ChEBML_195760	Compound was tested for the inhibition of human plasma renin(Hu Renin)
50029285	4	ChEMBL_195760 (CHEMBL803427)	Compound was tested for the inhibition of human plasma renin(Hu Renin)
50029286	1	ChEBML_35434	Displacement of [125I]- Ang II from angiotensin II AT2 receptor in rat adrenal cortical microsomes
50047085	4	ChEMBL_1555890 (CHEMBL3767107)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50029286	3	ChEMBL_35435 (CHEMBL643795)	Compound was tested for the inhibition of angiotensin II AT2 receptor by displacement of [125I]- Ang II to rat adrenal cortical microsomes
50047086	1	ChEMBL_1556059 (CHEMBL3768120)	Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-MCA as substrate incubated for 10 mins
50047087	1	ChEMBL_1556092 (CHEMBL3768336)	Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by addition of substrate by Ellman's kinetic method
50029287	1	ChEBML_192722	In vitro inhibitory activity against monkey plasma renin
50047087	2	ChEMBL_1556093 (CHEMBL3768337)	Inhibition of BChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by addition of substrate by Ellman's kinetic method
50029290	1	ChEBML_138889	Binding affinity against mu-opioid receptor by using [3H]DAGO as radioligand in rat brain
50029290	2	ChEBML_53589	Binding affinity against delta-opioid receptor by using [3H]DADLE as radioligand in rat brain
50029291	1	ChEBML_210264	In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets
50029291	3	ChEMBL_210264 (CHEMBL872637)	In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets
50047088	1	ChEMBL_1556106 (CHEMBL3768350)	Inhibition of c-Met kinase (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50029293	1	ChEBML_98629	LTB4 receptor antagonist activity was determined by inhibition of specific binding of [3H]LTB4 in human neutrophil
50029294	1	ChEBML_209743	Activity against thromboxane A2 receptor evaluated by contraction of isolated rat thoracic aorta
50029294	2	ChEBML_209587	Activity against thromboxane A2 receptor evaluated by aggregation of human platelets
50029296	1	ChEBML_196014	Inhibition of [3H]RA to binding Retinoic acid receptor RAR gamma
50029296	2	ChEMBL_196602 (CHEMBL799680)	Inhibition of [3H]RA binding to Retinoic acid receptor RAR gamma
50029297	1	ChEMBL_49588 (CHEMBL661241)	Compound was tested for the inhibition of chymotrypsin at 69 nM
50029297	4	ChEMBL_49586 (CHEMBL661239)	Compound was tested for the inhibition of chymotrypsin at 138 nM
50047088	2	ChEMBL_1556107 (CHEMBL3768351)	Inhibition of KDR (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047088	3	ChEMBL_1556108 (CHEMBL3768352)	Inhibition of PDGFR-alpha (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047088	4	ChEMBL_1556109 (CHEMBL3768353)	Inhibition of c-kit (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047088	5	ChEMBL_1556110 (CHEMBL3768354)	Inhibition of Flt-3 (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047088	6	ChEMBL_1556105 (CHEMBL3768349)	Inhibition of EGFR (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047088	7	ChEMBL_1556111 (CHEMBL3768355)	Inhibition of Ron (unknown origin) using poly(glu,Tyr)4:1 as substrate incubated for 30 mins by homogeneous time-resolved fluorescence assay
50047089	1	ChEMBL_1556339 (CHEMBL3766398)	Competitive inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by Dixon plot analysis
50029299	1	ChEBML_202108	In vitro inhibitory activity against rat liver squalene synthase
50029299	2	ChEBML_201957	In vitro inhibitory activity against Candida albicans squalene synthase
50029300	1	ChEBML_142885	Binding affinity of compound was determined from inhibition of [125I]- substance P binding to the hNK1 receptor in CHO cells
50029301	2	ChEMBL_86531 (CHEMBL699950)	In vitro inhibitory activity against human leukocyte elastase was determined
50047089	2	ChEMBL_1556337 (CHEMBL3766396)	Inhibition of human COX-2 by UV-visible spectrophotometric analysis
50047089	3	ChEMBL_1556336 (CHEMBL3766395)	Inhibition of human 5-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis
50047089	4	ChEMBL_1556335 (CHEMBL3766394)	Inhibition of N-terminal His6-tagged human 15-LOX-2 using arachidonic acid as substrate by UV-visible spectrophotometric analysis
50047089	5	ChEMBL_1556334 (CHEMBL3766393)	Inhibition of N-terminal His6-tagged human 12-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis
50047089	6	ChEMBL_1556331 (CHEMBL3766390)	Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by UV-visible spectrophotometric analysis
50029304	1	ChEBML_79469	Inhibition of human immunodeficiency virus type 1 (HIV-1) protease
50029305	3	ChEMBL_138805 (CHEMBL751540)	In vitro binding affinity towards Muscarinic acetylcholine receptor M1 by the displacement of [3H]pirenzepine in rat cerebral cortical membranes
50047089	7	ChEMBL_1556342 (CHEMBL3766401)	Inhibition of human 12/15-LOX expressed in HEK293 cells after 30 mins by microplate reader analysis
50047090	1	ChEMBL_1556348 (CHEMBL3766407)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shift assay
50029306	1	ChEBML_79468	In vitro inhibition HIV-1 IIIB protease.
50029306	2	ChEMBL_79466 (CHEMBL694662)	In vitro inhibitory activity of compound against HIV protease from BRU (IIIB) strain of HIV- 1 virus was determined
50047090	2	ChEMBL_1556349 (CHEMBL3766408)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by addition of substrate by mobility shift assay
50029308	1	ChEBML_35129	Binding affinity for Angiotensin II receptor, type 1
50029308	2	ChEBML_35562	Binding affinity for angiotensin II AT-2 receptor
50047091	1	ChEMBL_1553266 (CHEMBL3767498)	Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine (N14Y) as substrate for 15 mins by PAGE assay
50047091	2	ChEMBL_1553267 (CHEMBL3767499)	Inhibition of recombinant human TDP2 using alpha32P-cordycepin-30-labeled 19-mer single-stranded oligonucleotide DNA containing 5'-phosphotyrosine (Y19) for 15 mins by PAGE assay
50047092	1	ChEMBL_1553268 (CHEMBL3767500)	Inhibition of HDAC1/2 in human HeLa cell nuclear extract using color de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 30 min by microtiter plate reader analysis
50047092	2	ChEMBL_1553269 (CHEMBL3767501)	Inhibition of C-terminal GST-tagged human recombinant HDAC2 expressed in Sf9 cells after 30 mins by microtiter plate reader analysis
50047092	3	ChEMBL_1553273 (CHEMBL3767505)	Inhibition of C-terminal His-tagged human recombinant HDAC8 expressed in Sf9 cells after 30 mins by microtiter plate reader analysis
50029311	1	ChEBML_79814	In vitro inhibitory activity against HIV-1 protease was evaluated
50047093	1	ChEMBL_1553276 (CHEMBL3767508)	Displacement of [3H]ifenprodil from Wistar rat cerebral cortex GluN2B receptor after 120 mins
50029312	2	ChEMBL_216783 (CHEMBL817059)	Binding affinity against alpha-chymotrypsin
50047093	2	ChEMBL_1553279 (CHEMBL3767511)	Displacement of [3H]ifenprodil from Sprague-Dawley rat cerebral cortex GluN2B receptor
50029313	2	ChEMBL_36793 (CHEMBL875934)	In vivo inhibitory concentration against Angiotensin II receptor, type 1 of human adrenal membrane
50029313	3	ChEBML_34645	In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rabbit aorta membrane
50029313	4	ChEBML_35429	In vivo inhibitory concentration against AT2 receptor of human adrenal membrane
50047081	4	ChEMBL_1553513 (CHEMBL3768880)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate incubated for 5 mins by LC-MS analysis
50047081	13	ChEMBL_1553507 (CHEMBL3768874)	Inhibition of DAGLbeta (unknown origin)
50047081	6	ChEMBL_1553515 (CHEMBL3768882)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 7 mins by LC-MS analysis
50047081	9	ChEMBL_1553500 (CHEMBL3768671)	Inhibition of ABHD6 (unknown origin)
50047081	3	ChEMBL_1553496 (CHEMBL3768667)	Inhibition of human recombinant DAGLalpha expressed in African green monkey COS cells using sn-1-stearoyl-2-[14C]-arachidonoyl-glycerol as substrate incubated for 15 mins by beta counting analysis
50029313	7	ChEBML_36794	In vivo inhibitory concentration against Angiotensin II receptor, type 1 of rat adrenal membrane
50047081	10	ChEMBL_1553499 (CHEMBL3768670)	Inhibition of DAGLalpha (unknown origin)
50047081	14	ChEMBL_1553309 (CHEMBL3767698)	Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellular 2-AG level incubated for 20 mins by LC-MS analysis
50047081	11	ChEMBL_1553517 (CHEMBL3768884)	Transactivation of human PXR expressed in human HepG2 cells after 15 mins by luciferase reporter gene assay
50047081	5	ChEMBL_1553512 (CHEMBL3768879)	Inhibition of human ERG expressed in HEK293 cells by thallium flux assay
50029314	1	ChEBML_201298	Binding affinity towards sigma receptor using [3H](+)-SKF-10047 as radioligand
50029314	3	ChEBML_61122	Binding affinity towards Dopamine receptor D2 using [3H]spiperone as radioligand
50047081	7	ChEMBL_1553514 (CHEMBL3768881)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins by LC-MS analysis
50047081	12	ChEMBL_1553516 (CHEMBL3768883)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins by LC-MS analysis
50047081	8	ChEMBL_1553497 (CHEMBL3768668)	Inhibition of DAGLalpha in mouse N18TG2 cells assessed as inhibition of ionomycin-induced formation of 2-AG incubated for 20 mins by LC-MS analysis
50029315	1	ChEBML_91005	Binding affinity towards IL-1 beta converting enzyme (ICE)
50029316	1	ChEBML_79925	Compound was tested for inactivation of purified HIV-1 protease in vitro
50029316	2	ChEMBL_79973 (CHEMBL690411)	Compound was tested for inactivation of purified HIV-1 protease in vitro
50029316	3	ChEMBL_79925 (CHEMBL691927)	Compound was tested for inactivation of purified HIV-1 protease in vitro
50029318	1	ChEBML_3816	Inhibition of 5-lipoxygenase was evaluated in human polymorphonuclear leukocytes stimulated by calcium ionophore A-23187 for formation of LTB4
50047094	1	ChEMBL_1553538 (CHEMBL3768905)	Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	2	ChEMBL_1553548 (CHEMBL3769080)	Inhibition of full length human recombinant PDE4B2 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	3	ChEMBL_1553549 (CHEMBL3769081)	Inhibition of full length human recombinant PDE4D3 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	4	ChEMBL_1553550 (CHEMBL3769082)	Inhibition of full length human recombinant PDE5A1 using [3H]-cGMP as substrate by scintillation proximity assay
50047094	5	ChEMBL_1553551 (CHEMBL3769083)	Inhibition of full length human recombinant PDE7A1 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	6	ChEMBL_1553552 (CHEMBL3769084)	Inhibition of full length human recombinant PDE8B using [3H]-cAMP as substrate by scintillation proximity assay
50047094	7	ChEMBL_1553555 (CHEMBL3769087)	Inhibition of full length human recombinant PDE9A3 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	8	ChEMBL_1553539 (CHEMBL3768906)	Inhibition of full length human recombinant PDE10A using [3H]-cAMP as substrate by scintillation proximity assay
50047094	9	ChEMBL_1553541 (CHEMBL3768908)	Inhibition of full length human recombinant PDE11A4 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	10	ChEMBL_1553554 (CHEMBL3769086)	Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay
50029322	1	ChEBML_154484	Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity
50029323	2	ChEBML_201299	Inhibition of [3H](+)-SKF-10047 binding to sigma receptor
50029323	3	ChEBML_58603	Displacement of [3H]-spiperone from dopamine D2 receptor
50029324	1	ChEBML_3954	Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells
50029325	1	ChEBML_42915	Binding of [3H]nitrendipine to calcium channel in rat heart membranes was determined
50047094	11	ChEMBL_1553547 (CHEMBL3769079)	Inhibition of full length human recombinant PDE1B1 using [3H]-cAMP as substrate by scintillation proximity assay
50047094	12	ChEMBL_1553540 (CHEMBL3768907)	Inhibition of full length human recombinant PDE2A3 using [3H]-cAMP as substrate by scintillation proximity assay
50047095	1	ChEMBL_1553558 (CHEMBL3769090)	Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenate by scintillation counting analysis
50047095	2	ChEMBL_1553559 (CHEMBL3769091)	Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenate by scintillation counting analysis
50047095	3	ChEMBL_1553560 (CHEMBL3769092)	Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenate by scintillation counting analysis
50047095	4	ChEMBL_1553735 (CHEMBL3766803)	Agonist activity at human recombinant MOR expressed in CHO cells by calcium mobilization assay
50029327	6	ChEBML_142502	Binding affinity towards glycine binding site of NMDA receptor to rat cortical membrane using [3H]glycine as radioligand
50029328	1	ChEBML_4169	Inhibitory activity against 5-lipoxygenase in rat neutrophils as inhibition of A 23,187-induced LTB4 production
50029328	2	ChEBML_4058	Inhibitory activity against 5-lipoxygenase in guinea pig leukocytes was determined
50047095	5	ChEMBL_1553736 (CHEMBL3766804)	Agonist activity at human recombinant DOR expressed in CHO cells by calcium mobilization assay
50047095	6	ChEMBL_1553737 (CHEMBL3766805)	Agonist activity at human recombinant KOR expressed in CHO cells by calcium mobilization assay
50047096	1	ChEMBL_1556710 (CHEMBL3773953)	Binding affinity to human N-myristoyltransferase by fluorescence analysis
50029330	1	ChEMBL_86686 (CHEMBL694105)	Compound was tested for inhibition of human leukocyte Elastase at 64 uM concentration from human polymorphonuclear leukocytes
50029330	2	ChEBML_86540	Compound was tested for inhibition of human leukocyte Elastase at 23 uM concentration from human polymorphonuclear leukocytes
50029331	2	ChEBML_162570	Displacement of [3H-20]-phorbol-12-13-dibutyrate from bovine brain protein kinase C alpha
50029332	1	ChEBML_49584	Compound was tested for the inhibition of chymotrypsin
50047097	16	ChEMBL_2575669	Displacement of biotinylated tetra-acetylated histone H4 (1 to 21) peptide from His6-tagged BRD4 (1 to 477 residues) (unknown origin) expressed in Escherichia coli measured after 1 hr by TR-FRET assay
50047097	26	ChEMBL_2575668	Displacement of biotinylated tetra-acetylated histone H4 (1 to 21) peptide from His6-tagged BRD3 (1 to 435 residues) (unknown origin) expressed in Escherichia coli measured after 1 hr by TR-FRET assay
50047097	15	ChEMBL_2575603	Binding affinity to recombinant His6-TEV fused human BAZ2A expressed in Escherichia coli by isothermal titration calorimetric analysis
50047097	18	ChEMBL_2575596	Binding affinity to biotinylated C-terminal Avi/His-TEV-fused BRD9 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetric analysis
50047097	24	ChEMBL_2575667	Displacement of biotinylated tetra-acetylated histone H4 (1 to 21) peptide from His6-tagged BRD2 (1 to 473 residues) (unknown origin) expressed in Escherichia coli measured after 1 hr by TR-FRET assay
50047097	20	ChEMBL_2575599	Displacement of biotinylated peptide from recombinant His6-TEV fused human BAZ2B expressed in Escherichia coli incubated for 30 mins by AlphaScreen assay
50047097	7	ChEMBL_1557664 (CHEMBL3772733)	Binding affinity to biotinylated C-terminal Avi/His-TEV-fused BRD9 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetric analysis
50047097	8	ChEMBL_1557666 (CHEMBL3772735)	Inhibition of recombinant His6-TEV fused human BAZ2A expressed in Escherichia coli incubated for 30 mins in presence of biotinylated peptide by alpha screen assay
50047097	9	ChEMBL_1557667 (CHEMBL3772736)	Inhibition of recombinant His6-TEV fused human BAZ2B expressed in Escherichia coli incubated for 30 mins in presence of biotinylated peptide by alpha screen assay
50029335	1	ChEMBL_66417 (CHEMBL677275)	Binding affinity towards FK506 binding protein 12 as measured by displacement of a radiolabeled FK506 analogue
50047097	17	ChEMBL_2575604	Binding affinity to recombinant His6-TEV fused human BAZ2B expressed in Escherichia coli by isothermal titration calorimetric analysis
50047097	10	ChEMBL_1557668 (CHEMBL3772737)	Inhibition of BRD4 bromodomain 1 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay
50029337	1	ChEMBL_29476 (CHEMBL640469)	Binding ability of adenosine A1 receptor by using [3H]CHA as radioligand in rat whole brain homogenate
50029337	2	ChEMBL_31059 (CHEMBL873043)	Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate
50029337	3	ChEMBL_31058 (CHEMBL641343)	Displacement of [3H]-CGS- from Adenosine A2a receptor of rat striatal homogenate
50047097	11	ChEMBL_1557669 (CHEMBL3772738)	Inhibition of BRD9 (unknown origin) incubated for 30 mins in presence of biotinylated peptide by alpha screen assay
50022621	1	ChEMBL_2575687	Binding affinity to human His-tagged WDR5 (24 to 334 residue) expressed in Escherichia coli BL21 assessed as dissociation constant by ITC analysis
50047097	13	ChEMBL_1557672 (CHEMBL3772741)	Binding affinity to recombinant His6-TEV fused human BAZ2B expressed in Escherichia coli by isothermal titration calorimetric analysis
50022622	1	ChEMBL_2576028	Binding affinity to TAF1L (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50047097	14	ChEMBL_1557679 (CHEMBL3772748)	Binding affinity to biotinylated C-terminal Avi/His-TEV-fused TAF1L bromodomain-2 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetric analysis
50011241	2	ChEMBL_2012564 (CHEMBL4666142)	Inhibition of rat DYRK1A kinase domain (1 to 499 residues) expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP
50011241	3	ChEMBL_2012565 (CHEMBL4666143)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate measured after 30 mins in presence of ATP by ADP-Glo kinase assay
50011241	4	ChEMBL_2012566 (CHEMBL4666144)	Inhibition of rat DYRK1A kinase domain (1 to 499 residues) expressed in bacteria using KKISGRLSPIMTEQ as substrate measured after 30 mins in presence of ATP by ADP-Glo kinase assay
50011242	1	ChEMBL_2012632 (CHEMBL4666210)	Inhibition of Escherichia coli DNA gyrase holoenzyme assessed as reduction in pBR322 DNA supercoiling using pBR322 plasmid DNA as substrate incubated for 90 mins in presence of ATP by ethidium bromide staining based agarose gel electrophoresis analysis
50011243	1	ChEMBL_2012721 (CHEMBL4666299)	Inhibition of Escherichia coli DNA gyrase (A2B2 tetramer) incubated for 60 mins in presence of ATP by malachite green reagent based spectrophotometric analysis
50011243	2	ChEMBL_2012758 (CHEMBL4666336)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-based microplate reader assay
50011243	3	ChEMBL_2012762 (CHEMBL4666340)	Inhibition of Staphylococcus aureus DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-based microplate reader assay
50047098	1	ChEMBL_1558044 (CHEMBL3771488)	Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by Alpha Screen assay
50029342	1	ChEMBL_62545 (CHEMBL674059)	Compound was evaluated for its affinity to Dopamine receptor D2 labelled with [3H]spiroperidol in rat striatal membranes
50029342	2	ChEMBL_62546 (CHEMBL872898)	Compound was evaluated for its affinity to Dopamine receptor D2 labelled with [3H]pramipexole in rat striatal membranes
50029342	3	ChEMBL_58654 (CHEMBL670428)	Compound was evaluated for its affinity to Dopamine receptor D1 labelled with [3H]-SCH- 23390 in rat striatal membranes
50029343	1	ChEMBL_36638 (CHEMBL652349)	Inhibition of [125-I]-labeled angiotensin II binding to AT1 receptor in rat uterine membranes
50029343	2	ChEMBL_34810 (CHEMBL648954)	Displacement of [125-I]-labeled angiotensin II from Angiotensin II receptor, type 1 of rat uterine membranes
50029344	1	ChEMBL_79949 (CHEMBL687721)	Inhibitory activity was evaluated against HIV-1 protease
50029344	2	ChEMBL_159624 (CHEMBL760103)	Inhibitory activity was evaluated against HIV-1 protease
50047098	2	ChEMBL_1558045 (CHEMBL3771489)	Inhibition of BRPF1B (unknown origin) by Alpha Screen assay
50047098	3	ChEMBL_1558046 (CHEMBL3771490)	Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay
50047098	4	ChEMBL_1558047 (CHEMBL3771491)	Binding affinity to N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry
50047098	5	ChEMBL_1558048 (CHEMBL3771492)	Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetry
50047098	6	ChEMBL_1558049 (CHEMBL3771493)	Binding affinity to BRPF2 BRD1 (unknown origin) by isothermal titration calorimetry
50047098	7	ChEMBL_1558050 (CHEMBL3771494)	Inhibition of BRPF3 (unknown origin) by Alpha Screen assay
50047099	1	ChEMBL_1558058 (CHEMBL3771502)	Competitive binding affinity to human His-tagged CREBBP expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromoscan assay
50047099	2	ChEMBL_1558059 (CHEMBL3771503)	Competitive binding affinity to human BRD4 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromoscan assay
50047099	3	ChEMBL_1558065 (CHEMBL3771509)	Competitive binding affinity to human BRD4 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromoscan assay
50047099	4	ChEMBL_1558066 (CHEMBL3771510)	Competitive binding affinity to human BRD2 bromodomain 1 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromoscan assay
50047099	5	ChEMBL_1558067 (CHEMBL3771511)	Competitive binding affinity to human BRD2 bromodomain 2 expressed in T7 phage-infected Escherichia coli BL21(DE3) cells incubated for 1 hr by bromoscan assay
50047099	6	ChEMBL_1558072 (CHEMBL3771647)	Binding affinity to human His-tagged CREBBP expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047099	7	ChEMBL_1558062 (CHEMBL3771506)	Inhibition of human recombinant GST-tagged CREBBP using non acetylated ligand 1 as substrate incubated for 2 hrs by TR-FRET assay
50047100	1	ChEMBL_1558154 (CHEMBL3771998)	Antagonist activity at OX1R (unknown origin)
50047100	2	ChEMBL_1558140 (CHEMBL3771845)	Antagonist activity at OX2R (unknown origin)
50029349	1	ChEBML_202277	Inhibitory concentration against mammalian Squalene synthase
50047100	3	ChEMBL_1558156 (CHEMBL3772000)	Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release
50047100	4	ChEMBL_1558157 (CHEMBL3772001)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release
50047100	5	ChEMBL_1558163 (CHEMBL3772007)	Inhibition of CYP3A4 (unknown origin)
50047100	6	ChEMBL_1558164 (CHEMBL3772008)	Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release by FLIPR assay
50047100	7	ChEMBL_1558165 (CHEMBL3772009)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium release by FLIPR assay
50047100	8	ChEMBL_1558175 (CHEMBL3772019)	Binding affinity to OX1R (unknown origin)
50047100	9	ChEMBL_1558174 (CHEMBL3772018)	Binding affinity to OX2R (unknown origin)
50047100	10	ChEMBL_1558077 (CHEMBL3771652)	Antagonist activity at human OX1R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 mins
50047100	11	ChEMBL_1558189 (CHEMBL3772033)	Antagonist activity at human OX2R expressed in CHO cell membranes assessed as inhibition of orexin-A-induced intracellular calcium release after 120 mins
50047100	12	ChEMBL_1558192 (CHEMBL3772036)	Antagonist activity at human OX1R expressed in CHO cells by FLIPR assay
50047100	13	ChEMBL_1558193 (CHEMBL3772037)	Antagonist activity at human OX2R expressed in CHO cells by FLIPR assay
50047101	1	ChEMBL_1556365 (CHEMBL3772096)	Inhibition of ROCK1 (unknown origin)
50047101	2	ChEMBL_1556366 (CHEMBL3772097)	Inhibition of ROCK2 (unknown origin)
50047101	3	ChEMBL_1556364 (CHEMBL3772095)	Inhibition of ROCK2 (unknown origin) using STK2 as substrate after 1 hr
50047101	4	ChEMBL_1556367 (CHEMBL3772098)	Agonist activity at human adenosine A1 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinosine
50047101	5	ChEMBL_1556368 (CHEMBL3772099)	Agonist activity at human adenosine A2A receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinosine
50047101	6	ChEMBL_1556369 (CHEMBL3772100)	Agonist activity at human adenosine A2B receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinosine
50047101	7	ChEMBL_1556370 (CHEMBL3772101)	Agonist activity at human adenosine A3 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinosine
50047101	8	ChEMBL_1556372 (CHEMBL3772103)	Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysis
50047101	9	ChEMBL_1556373 (CHEMBL3772104)	Agonist activity at recombinant human adenosine A2B receptor assessed as cAMP accumulation preincubated for 45 mins followed by forskolin addition measured after 15 mins by protein kinase A-based assay in presence of [3H]cyclic AMP, rolipram, adenosine deaminase
50047101	10	ChEMBL_1556374 (CHEMBL3772105)	Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis
50047101	11	ChEMBL_1556382 (CHEMBL3772113)	Displacement of [3H]-PIA from human recombinant adenosine A1 receptor after 60 mins by gamma counting analysis
50047101	12	ChEMBL_1556371 (CHEMBL3772102)	Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor
50047101	13	ChEMBL_1556375 (CHEMBL3772106)	Binding affinity to adenosine A1 receptor (unknown origin)
50047101	14	ChEMBL_1556376 (CHEMBL3772107)	Binding affinity to adenosine A3 receptor (unknown origin)
50029352	1	ChEBML_142886	Binding affinity for human NK1 receptor expressed in CHO cells
50047101	15	ChEMBL_1556383 (CHEMBL3772114)	Displacement of 2-[2-(4-amino-3-[125I]iodophenyl)ethylamino]adenosine from human recombinant adenosine A2A receptor expressed in HEK293 cells
50047101	16	ChEMBL_1556377 (CHEMBL3772108)	Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptor
50047101	17	ChEMBL_1556378 (CHEMBL3772109)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor by scintillation spectroscopy
50047101	18	ChEMBL_1556379 (CHEMBL3772110)	Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells
50047101	19	ChEMBL_1556380 (CHEMBL3772111)	Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage
50047101	20	ChEMBL_1556381 (CHEMBL3772112)	Antagonist activity at human adenosine A3 receptor
50047102	1	ChEMBL_1556548 (CHEMBL3773029)	Binding affinity to human BRD4 bromodomain 2 by isothermal titration calorimetry
50047102	2	ChEMBL_1556547 (CHEMBL3773028)	Binding affinity to human BRD4 bromodomain 1 by isothermal titration calorimetry
50047102	3	ChEMBL_1556546 (CHEMBL3773027)	Binding affinity to human BRD2 bromodomain 2 by isothermal titration calorimetry
50047102	4	ChEMBL_1556545 (CHEMBL3773026)	Binding affinity to human BRD2 bromodomain 1 by isothermal titration calorimetry
50047102	5	ChEMBL_1556544 (CHEMBL3772869)	Binding affinity to human BRD4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50047102	6	ChEMBL_1556543 (CHEMBL3772868)	Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50047102	7	ChEMBL_1556542 (CHEMBL3772867)	Binding affinity to human BRD2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50047102	8	ChEMBL_1556541 (CHEMBL3772866)	Binding affinity to human BRD2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50047102	9	ChEMBL_1556540 (CHEMBL3772865)	Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetry
50047102	10	ChEMBL_1556539 (CHEMBL3772864)	Binding affinity to recombinant poly-His-tagged BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetry
50047102	11	ChEMBL_1556538 (CHEMBL3772863)	Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 2 (unknown origin) by isothermal titration calorimetry
50047102	12	ChEMBL_1556384 (CHEMBL3772115)	Binding affinity to recombinant poly-His-tagged BRD2 bromodomain 1 (unknown origin) by isothermal titration calorimetry
50047102	13	ChEMBL_1556537 (CHEMBL3772862)	Binding affinity to N-terminal His6-tagged-BRD4 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	14	ChEMBL_1556536 (CHEMBL3772861)	Binding affinity to N-terminal His6-tagged-BRD4 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	15	ChEMBL_1556406 (CHEMBL3772280)	Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	16	ChEMBL_1556405 (CHEMBL3772279)	Binding affinity to full length N-terminal His6-tagged-BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	17	ChEMBL_1556404 (CHEMBL3772278)	Binding affinity to N-terminal His6-tagged BRD4 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	18	ChEMBL_1556403 (CHEMBL3772277)	Binding affinity to N-terminal His6-tagged BRD4 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	19	ChEMBL_1556401 (CHEMBL3772275)	Binding affinity to N-terminal His6-tagged BRD2 bromodomain 2 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047102	20	ChEMBL_1556385 (CHEMBL3772116)	Binding affinity to N-terminal His6-tagged BRD2 bromodomain 1 (unknown origin) expressed in competent Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047103	1	ChEMBL_1556904 (CHEMBL3771929)	Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate
50047103	2	ChEMBL_1556877 (CHEMBL3771759)	Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis
50029354	1	ChEBML_101759	Inhibition of the collagenase enzyme.
50029354	2	ChEBML_101923	Inhibition of the gelatinase-A enzyme.
50029354	3	ChEBML_102088	Inhibition of the stromelysin enzyme.
50029355	4	ChEMBL_102089 (CHEMBL710326)	Inhibition of the Stromelysin enzyme was determined from purified NSO cells.
50029355	5	ChEMBL_101760 (CHEMBL708141)	Inhibition of the Collagenase enzyme was determined from purified NSO cells.
50029355	6	ChEMBL_101924 (CHEMBL710554)	Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells.
50029356	1	ChEBML_208255	Ability to satbilize DNA-topoisomerase (from calf) I-compound ternary complex was determined
50029358	1	ChEBML_79815	Inhibition of Human Immunodeficiency virus-1 protease
50029359	2	ChEBML_68487	Inhibition of farnesyl transferase
50029359	5	ChEMBL_70125 (CHEMBL681810)	Inhibition of farnesyl transferase
50029360	2	ChEBML_36629	In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1 receptor from rabbit aorta
50029360	3	ChEBML_36625	In vitro inhibitory concentration against AT1 receptor from human adrenal tissues.
50029360	4	ChEBML_36626	Inhibitory concentration against cloned human AT1 receptor
50029360	11	ChEMBL_36650 (CHEMBL649910)	In vitro inhibitory concentration against AT2 receptor from human adrenal tissues.
50029360	7	ChEMBL_36765 (CHEMBL651095)	Inhibitory concentration against AT1 receptor from rat adrenal tissues.
50047103	3	ChEMBL_1556878 (CHEMBL3771760)	Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis
50029362	1	ChEBML_209545	Compound was tested for its ability to displace [3H]senktide binding to human Tachykinin receptor 3 expressed in CHO cells
50029362	2	ChEBML_101747	Inhibition of human recombinant MMP-I
50029363	1	ChEBML_209550	Inhibition of [125I][MePhe]-NKB binding to human Tachykinin receptor 3 in CHO cells
50029363	2	ChEBML_142894	Inhibition of [125I]BH-SP binding to tachykinin NK1 receptor in human IM-9 cells
50029363	3	ChEMBL_142894 (CHEMBL747304)	Inhibition of [125I]BH-SP binding to tachykinin NK1 receptor in human IM-9 cells
50029364	2	ChEMBL_101742 (CHEMBL709098)	Inhibition of human fibroblast collagenase
50029365	1	ChEBML_138254	In vitro binding affinity towards muscarinic receptor in parotid gland (M3)
50029365	2	ChEBML_139971	In vitro binding affinity towards muscarinic receptor in cerebral cortex (M1) was determined
50029365	4	ChEBML_140120	In vitro binding affinity towards muscarinic receptor in heart (M2) was determined
50047103	4	ChEMBL_1556879 (CHEMBL3771761)	Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis
50029367	1	ChEBML_79969	Binding affinity for HIV-1 protease
50047104	1	ChEMBL_1556910 (CHEMBL3771935)	Inhibition of recombinant human KDAC3 using FITC-p53 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay
50047104	2	ChEMBL_1556911 (CHEMBL3771936)	Inhibition of recombinant human KDAC1 using FAM-labelled substrate A incubated for 60 mins by microfluidic chip-based assay
50029368	3	ChEMBL_40039 (CHEMBL651443)	Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig.
50047104	3	ChEMBL_1556993 (CHEMBL3772324)	Inhibition of recombinant human KDAC8 using diacetylated p53 (379 to 382 residues) as substrate by fluorescence assay
50047104	4	ChEMBL_1556992 (CHEMBL3772323)	Inhibition of recombinant human KDAC6 using acetylated p53 (379 to 382 residues) as substrate by fluorescence assay
50047104	5	ChEMBL_1556991 (CHEMBL3772322)	Inhibition of recombinant human KDAC3/NcoR2 using acetylated p53 (379 to 382 residues) as substrate by fluorescence assay
50047104	6	ChEMBL_1556907 (CHEMBL3771932)	Inhibition of recombinant human KDAC1 using acetylated p53 (379 to 382 residues) as substrate by fluorescence assay
50047104	7	ChEMBL_1556990 (CHEMBL3772321)	Inhibition of human KDAC8 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method
50047104	8	ChEMBL_1556989 (CHEMBL3772320)	Inhibition of human KDAC6 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method
50047104	9	ChEMBL_1556988 (CHEMBL3772319)	Inhibition of human KDAC3 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method
50047104	10	ChEMBL_1556987 (CHEMBL3772318)	Inhibition of human KDAC1 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method
50047104	11	ChEMBL_1556986 (CHEMBL3772317)	Inhibition of human KDAC8 by fluorescence assay
50047104	12	ChEMBL_1556985 (CHEMBL3772316)	Inhibition of human KDAC6 by fluorescence assay
50047104	13	ChEMBL_1556984 (CHEMBL3772315)	Inhibition of human KDAC3 by fluorescence assay
50047104	14	ChEMBL_1556983 (CHEMBL3772314)	Inhibition of human KDAC1 by fluorescence assay
50047104	15	ChEMBL_1556982 (CHEMBL3772313)	Inhibition of human KDAC8
50047104	16	ChEMBL_1556981 (CHEMBL3772312)	Inhibition of human KDAC6
50047104	17	ChEMBL_1556980 (CHEMBL3772311)	Inhibition of human KDAC3
50047104	18	ChEMBL_1556979 (CHEMBL3772310)	Inhibition of human KDAC1
50047104	19	ChEMBL_1556978 (CHEMBL3772309)	Inhibition of human KDAC8 preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition measured after 30 mins by fluorescence assay
50047104	20	ChEMBL_1556977 (CHEMBL3772308)	Inhibition of human KDAC6 preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition measured after 30 mins by fluorescence assay
50047104	21	ChEMBL_1556976 (CHEMBL3772307)	Inhibition of human KDAC3 preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition measured after 30 mins by fluorescence assay
50047104	22	ChEMBL_1556920 (CHEMBL3771945)	Inhibition of human KDAC1 preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition measured after 30 mins by fluorescence assay
50047104	23	ChEMBL_1556919 (CHEMBL3771944)	Inhibition of full length human recombinant KDAC8 using fluorophore-conjugated substrate measured as fluorigenic release of 7-amino-4-methylcoumarin by microtiter plate reader analysis
50047104	24	ChEMBL_1556918 (CHEMBL3771943)	Inhibition of full length human recombinant KDAC6 using fluorophore-conjugated substrate measured as fluorigenic release of 7-amino-4-methylcoumarin by microtiter plate reader analysis
50047104	25	ChEMBL_1556917 (CHEMBL3771942)	Inhibition of full length human recombinant KDAC3 using fluorophore-conjugated substrate measured as fluorigenic release of 7-amino-4-methylcoumarin by microtiter plate reader analysis
50047104	26	ChEMBL_1556916 (CHEMBL3771941)	Inhibition of full length human recombinant KDAC1 using fluorophore-conjugated substrate measured as fluorigenic release of 7-amino-4-methylcoumarin by microtiter plate reader analysis
50047104	27	ChEMBL_1556915 (CHEMBL3771940)	Inhibition of KDAC8 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method
50047104	28	ChEMBL_1556914 (CHEMBL3771939)	Inhibition of KDAC6 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method
50047104	29	ChEMBL_1556913 (CHEMBL3771938)	Inhibition of KDAC3 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method
50047104	30	ChEMBL_1556912 (CHEMBL3771937)	Inhibition of KDAC1 in human K562 cells using [3H]acetylated histone as substrate incubated for 10 mins by liquid scintillation counting method
50047104	31	ChEMBL_1556909 (CHEMBL3771934)	Inhibition of recombinant human KDAC8 using FAM-labelled substrate B incubated for 60 mins by microfluidic chip-based assay
50047104	32	ChEMBL_1556908 (CHEMBL3771933)	Inhibition of recombinant human KDAC6 using FITC-histone 4 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay
50047105	1	ChEMBL_1557115 (CHEMBL3773067)	Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter assay
50029371	1	ChEMBL_37695 (CHEMBL648989)	Inhibitory activity against bovine Beta-1,4-galactosyltransferase at 100 uM concentration
50047105	2	ChEMBL_1557117 (CHEMBL3773069)	Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by luciferase reporter assay
50047106	1	ChEMBL_1557218 (CHEMBL3773441)	Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader method
50047106	2	ChEMBL_1557226 (CHEMBL3773601)	Inhibition of human SIRT1 using RHKK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence assay
50047106	3	ChEMBL_1557227 (CHEMBL3773602)	Inhibition of human SIRT2 using RHKK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence assay
50047106	4	ChEMBL_1557228 (CHEMBL3773603)	Inhibition of human SIRT1 by fluorometric assay
50047106	5	ChEMBL_1557229 (CHEMBL3773604)	Inhibition of human SIRT2 by fluorometric assay
50047106	6	ChEMBL_1557230 (CHEMBL3773605)	Inhibition of His-tagged recombinant human SIRT1 after 60 mins by fluorescence assay
50047106	7	ChEMBL_1557231 (CHEMBL3773606)	Inhibition of His-tagged recombinant human SIRT2 after 60 mins by fluorescence assay
50047106	8	ChEMBL_1557232 (CHEMBL3773607)	Inhibition of GST-tagged human SIRT1 (133 to 747 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader method
50047106	9	ChEMBL_1557233 (CHEMBL3773608)	Inhibition of human SIRT2
50047106	10	ChEMBL_1557234 (CHEMBL3773609)	Inhibition of human SIRT1 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic acid
50047106	11	ChEMBL_1557235 (CHEMBL3773610)	Inhibition of GST-tagged recombinant human SIRT2 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic acid
50047107	1	ChEMBL_1557240 (CHEMBL3773615)	Displacement of [3H]LSD from 5-HT5A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	2	ChEMBL_1557241 (CHEMBL3773616)	Displacement of [3H]LSD from 5-HT6 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	3	ChEMBL_1557242 (CHEMBL3773617)	Displacement of [3H]LSD from 5-HT7A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	4	ChEMBL_1557243 (CHEMBL3773618)	Inhibition of human ERG channel by patch clamp assay
50047107	5	ChEMBL_1557251 (CHEMBL3773626)	Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHO-K1 cells assessed as calcium flux after 60 mins by FLIPR assay
50047107	6	ChEMBL_1557249 (CHEMBL3773624)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	7	ChEMBL_1557250 (CHEMBL3773625)	Displacement of [3H]GR127543 from 5-HT1B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	8	ChEMBL_1557248 (CHEMBL3773623)	Displacement of [3H]GR127543 from 5-HT1D receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	9	ChEMBL_1557246 (CHEMBL3773621)	Displacement of [3H]-5-HT from 5-HT1E receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	10	ChEMBL_1557247 (CHEMBL3773622)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	11	ChEMBL_1557237 (CHEMBL3773612)	Displacement of [3H]LSD from 5-HT2B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	12	ChEMBL_1557238 (CHEMBL3773613)	Displacement of [3H]LSD from 5-HT2C receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047107	13	ChEMBL_1557239 (CHEMBL3773614)	Displacement of [3H]LY278584 from 5-HT3 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50047108	1	ChEMBL_1557255 (CHEMBL3773630)	Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay
50047108	2	ChEMBL_1557257 (CHEMBL3773632)	Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay
50047108	3	ChEMBL_1557253 (CHEMBL3773628)	Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay
50029378	3	ChEMBL_49416 (CHEMBL658776)	Binding affinity towards CCK-B receptor in mouse cerebral cortex using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 7.8-9.3 uM
50029378	4	ChEMBL_49409 (CHEMBL658770)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 3.5-4.6 uM
50029378	5	ChEMBL_49410 (CHEMBL658771)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 4.1-6.4 uM
50029378	7	ChEMBL_49407 (CHEMBL658768)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 12-20 uM
50029378	8	ChEMBL_49411 (CHEMBL658772)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 4.7-7.1 uM
50029378	10	ChEMBL_49408 (CHEMBL658769)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 3.3-5.4 uM
50029378	11	ChEMBL_49417 (CHEMBL658777)	Binding affinity towards CCK-B receptor in mouse cerebral cortex using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 9.8-25 uM
50029378	12	ChEMBL_49406 (CHEMBL658767)	Binding affinity towards CCK-A receptor in rat pancreas using [125I]Bolton-Hunter CCK-8 as radioligand; Value ranges from 11-16 uM
50029379	1	ChEMBL_144601 (CHEMBL751020)	In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranes
50029380	2	ChEMBL_160256 (CHEMBL767870)	Displacement of [3H]phorbol-12,13-dibutyrate from rat brain protein kinase C alpha
50029385	1	ChEMBL_64030 (CHEMBL671549)	Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat
50029385	2	ChEMBL_65830 (CHEMBL682963)	Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)
50029385	3	ChEMBL_63350 (CHEMBL679115)	In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle
50029385	4	ChEMBL_64032 (CHEMBL671551)	Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat
50029385	5	ChEMBL_64035 (CHEMBL882500)	Binding affinity against endothelin receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat
50047108	4	ChEMBL_1557379 (CHEMBL3774209)	Inhibition of human ERG channel
50029387	1	ChEMBL_79809 (CHEMBL696069)	Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay)
50029389	1	ChEBML_29226	Inhibitory activity against acetylcholinesterase (AChE) from rat brain was determined
50029392	1	ChEBML_202110	In vitro inhibitory concentration against squalene synthase from male rat liver microsomes
50029393	3	ChEBML_208656	Compound was evaluated for its affinity to rat Tachykinin receptor 1
50029396	1	ChEMBL_58483 (CHEMBL670414)	Binding affinity was measured from rat striatal membrane using [3H]-spiperone at D2 receptors
50029396	2	ChEMBL_58939 (CHEMBL671253)	Binding affinity was measured at cloned mammalian dopamine D4 receptor expressed in CHO-K1 cells (using [3H]- spiperone)
50029396	3	ChEMBL_58606 (CHEMBL665374)	Binding affinity was measured at cloned mammalian dopamine D2 receptor expressed in CHO-K1 cells (using [3H]U-86170)
50029396	4	ChEMBL_201047 (CHEMBL804076)	Binding affinity was measured at cloned mammalian 5-HT1A receptor expressed in CHO-K1 cells (using [3H]8-OH-DPAT )
50029396	5	ChEMBL_201045 (CHEMBL804074)	Binding affinity was measured at cloned mammalian 5-HT1A receptor expressed in CHO-K1 cells (using [3H]8-OH-DPAT )
50029396	6	ChEMBL_58786 (CHEMBL666973)	Binding affinity was measured at cloned mammalian dopamine D3 receptor expressed in CHO-K1 cells (using [3H]- spiperone)
50029396	7	ChEMBL_201035 (CHEMBL803261)	Binding affinity was measured at 5-HT1A receptor in rat striatal membranes using [3H]8-OH-DPAT
50047108	5	ChEMBL_1557326 (CHEMBL3774010)	Binding affinity to human 5HT1A receptor by radioligand binding assay
50047108	6	ChEMBL_1557327 (CHEMBL3774011)	Binding affinity to 5HT2A receptor (unknown origin) by radioligand binding assay
50047108	7	ChEMBL_1557328 (CHEMBL3774012)	Binding affinity to human 5HT2B receptor by radioligand binding assay
50047108	8	ChEMBL_1557329 (CHEMBL3774013)	Binding affinity to human 5HT2C receptor by radioligand binding assay
50047108	9	ChEMBL_1557330 (CHEMBL3774014)	Binding affinity to human 5HT6 receptor by radioligand binding assay
50047108	10	ChEMBL_1557331 (CHEMBL3774015)	Binding affinity to human 5HT7 receptor by radioligand binding assay
50047108	11	ChEMBL_1557332 (CHEMBL3774016)	Binding affinity to human SERT by radioligand binding assay
50047108	12	ChEMBL_1557334 (CHEMBL3774018)	Binding affinity to human dopamine D2 receptor by radioligand binding assay
50047108	13	ChEMBL_1557333 (CHEMBL3774017)	Binding affinity to dopamine D3 receptor (unknown origin) by radioligand binding assay
50047108	14	ChEMBL_1557335 (CHEMBL3774019)	Binding affinity to human dopamine D4 receptor by radioligand binding assay
50047108	15	ChEMBL_1557336 (CHEMBL3774020)	Binding affinity to human alpha-2A adrenergic receptor by radioligand binding assay
50047108	16	ChEMBL_1557337 (CHEMBL3774021)	Binding affinity to human alpha-2B adrenergic receptor by radioligand binding assay
50047108	17	ChEMBL_1557338 (CHEMBL3774022)	Binding affinity to human alpha-2C adrenergic receptor by radioligand binding assay
50047108	18	ChEMBL_1557339 (CHEMBL3774023)	Binding affinity to human beta-2 adrenergic receptor by radioligand binding assay
50047108	19	ChEMBL_1557340 (CHEMBL3774024)	Binding affinity to histamine H2 receptor (unknown origin) by radioligand binding assay
50047108	20	ChEMBL_1557341 (CHEMBL3774025)	Binding affinity to human muscarinic acetylcholine M5 receptor by radioligand binding assay
50029398	1	ChEMBL_211690 (CHEMBL820472)	Evaluated for the inhibitory concentration against porcine brain tubulin polymerization
50029399	1	ChEMBL_35433 (CHEMBL643793)	Binding affinity to AT2 receptor in rat midbrain binding assay
50029400	1	ChEBML_99648	Inhibitory activity against leukotriene B4 receptor
50029402	1	ChEBML_157476	Compound was evaluated for the inhibition of Prolyl endopeptidase (PEP) from pig kidney using Z-Gly-Pro-p-nitroanilide as substrate
50029404	2	ChEMBL_204581 (CHEMBL814227)	Inhibitory activity against human prostatic Steroid 5-alpha-reductase
50029405	1	ChEBML_49418	Concentration producing half-maximal inhibition of specific binding of [125I]- CCK-8 to CCK receptors mouse forebrain membranes (CCK-B)
50029405	2	ChEBML_49404	Concentration producing half-maximal inhibition of specific binding of [125I]- CCK-8 to CCK receptors on mouse pancreatic membranes (CCK-A)
50029406	2	ChEBML_46179	Inhibitory potency against Carnitine Palmitoyltransferase (CPT-II); Range = 32-235 uM
50029406	6	ChEMBL_46178 (CHEMBL660924)	Inhibitory potency against Carnitine Palmitoyltransferase (CPT-II)
50029406	5	ChEBML_46182	Inhibitory potency against carnitine octanoyltransferase (COT); Range = 1300-4000 uM
50047109	1	ChEMBL_1557446 (CHEMBL3771643)	Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-GQVGRQLAIIGDDINR-NH2 as substrate after 90 mins by fluorescence polarization anisotropy competition assay
50029408	1	ChEBML_66281	Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay
50029409	2	ChEMBL_66284 (CHEMBL678153)	Ability to bind the major cystolic receptor FKBP12 by using competitive binding assay
50047109	2	ChEMBL_1557445 (CHEMBL3771642)	Inhibition of recombinant Mcl-1 (residues 172-327) (unknown origin) using FITC-AHx-EARIAQELRRIGDEFNETYTR-NH2 as substrate after 90 mins by fluorescence polarization anisotropy competition assay
50047110	1	ChEMBL_1557471 (CHEMBL3771802)	Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50047110	2	ChEMBL_1557470 (CHEMBL3771801)	Agonist activity at rat DOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay
50047110	3	ChEMBL_1557469 (CHEMBL3771800)	Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay
50047110	4	ChEMBL_1557468 (CHEMBL3771799)	Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method
50029411	1	ChEMBL_86534 (CHEMBL699953)	Inhibitory activity against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate
50029411	3	ChEMBL_49462 (CHEMBL657106)	In vitro inhibition of porcine chymotrypsin.
50047110	5	ChEMBL_1557467 (CHEMBL3771798)	Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method
50029411	4	ChEBML_86533	Inhibitory activity against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate;No Inhibition
50029411	5	ChEMBL_86533 (CHEMBL699952)	Inhibitory activity against human leukocyte elastase using MeO-Suc-Ala-Ala-Pro-Val-pNA (416 uM) as substrate;No Inhibition
50029411	6	ChEBML_49461	Inhibitory activity against chymotrypsin using Suc-Ala-Ala-Pro-Phe-pNA (416 uM) as substrate
50047110	6	ChEMBL_1557466 (CHEMBL3771797)	Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method
50047111	1	ChEMBL_1557478 (CHEMBL3771809)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b using alpha-D-glucose-1-phosphate as substrate by Dixon plot analysis
50047111	2	ChEMBL_1557475 (CHEMBL3771806)	Inhibition of rat liver glycogen phosphorylase
50047111	3	ChEMBL_1557476 (CHEMBL3771807)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b using glucose-1-phosphate as substrate preincubated with glycogen for 15 mins followed by substrate addition measured every 1 min for 5 mins
50047111	4	ChEMBL_1557477 (CHEMBL3771808)	Inhibition of rabbit muscle glycogen phosphorylase-b
50029413	2	ChEMBL_36167 (CHEMBL646979)	Concentration required for 50% inhibition of binding against Angiotensin II receptor in the bovine adrenal cortex tissue
50047112	1	ChEMBL_1557605 (CHEMBL3772522)	Inhibition of PHD2 (unknown origin) using biotinylated HIF-1alpha (558 to 574 residues) as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50047112	2	ChEMBL_1557604 (CHEMBL3772521)	Inhibition of recombinant human PHD2 (179 to 426 residues) using HIF-1alpha (556 to 574 residues) as substrate after 20 mins by MALDI-TOF MS analysis
50047112	3	ChEMBL_1557603 (CHEMBL3772520)	Inhibition of recombinant PHD2 (unknown origin) catalytic domain (181 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells using boitinylated HIF-1alpha (556 to 574 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by AlphaScreen assay
50047112	4	ChEMBL_1557602 (CHEMBL3772519)	Displacement of FITC-HIF-1alpha (556 to 574 residues) from PHD2 (181 to 426 residues) (unknown origin) after 60 mins by fluorescence polarization assay
50029413	3	ChEBML_36172	Concentration required for 50% inhibition of binding against Angiotensin II receptor in the bovine adrenal cortex tissue
50047113	1	ChEMBL_1557609 (CHEMBL3772526)	Inhibition of PAK1 in human EBC1 cells assessed as reduction in levels of MEK phosphorylation at S298 residue after 2 hrs by HTRF assay
50047113	2	ChEMBL_1557608 (CHEMBL3772525)	Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate preincubated for 10 mins followed by ATP addition measured after 60 mins by Z-LYTE assay
50029415	1	ChEMBL_205720 (CHEMBL807966)	Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]Bolton-Hunter substance p from human IM-9 cells
50029416	1	ChEMBL_64190 (CHEMBL676551)	Concentration required to produce 50% inhibition of binding against ET B receptor obtained from rat brain membrane
50029416	2	ChEMBL_63376 (CHEMBL878288)	Concentration required to produce 50% inhibition of binding against ET A receptor obtained from rat thoracic aortic membrane
50029417	1	ChEMBL_66286 (CHEMBL678155)	Binding affinity towards recombinant FK506 binding protein 12 to determine the FKBP binding property of the compound
50029418	2	ChEMBL_36796 (CHEMBL650316)	Tested for inhibition of Angiotensin II specific binding to Angiotensin II receptor, type 1 in the recombinant human AT-1 receptor expressed in LhAT-1D6 cells
50047113	3	ChEMBL_1557611 (CHEMBL3772528)	Inhibition of human recombinant MST3
50047113	4	ChEMBL_1557612 (CHEMBL3772529)	Inhibition of human recombinant MST4
50047113	5	ChEMBL_1557613 (CHEMBL3772530)	Inhibition of human recombinant KHS1
50029419	1	ChEMBL_3967 (CHEMBL618065)	Inhibition of 5-lipoxygenase of rat basophilic leukemia (RBL) cell cytosolic enzymes
50047113	6	ChEMBL_1557614 (CHEMBL3772531)	Inhibition of human recombinant LCK
50047113	7	ChEMBL_1557615 (CHEMBL3772532)	Inhibition of human recombinant PAK2
50047113	8	ChEMBL_1557616 (CHEMBL3772533)	Inhibition of human SIK2
50047113	9	ChEMBL_1557617 (CHEMBL3772534)	Inhibition of human recombinant YSK1
50047113	10	ChEMBL_1557700 (CHEMBL3772918)	Inhibition of human ERG by patch clamp assay
50047114	1	ChEMBL_1557702 (CHEMBL3772920)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based fluorescence assay
50047114	2	ChEMBL_1557703 (CHEMBL3772921)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based fluorescence assay
50006430	1	ChEMBL_1970296 (CHEMBL4603114)	Inhibition of PAK4 (unknown origin) by HTRF assay
50047115	8	ChEBML_1557711	Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay
50047115	10	ChEMBL_1557706 (CHEMBL3772924)	Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay
50047115	11	ChEMBL_1557707 (CHEMBL3772925)	Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay
50047115	5	ChEBML_1557710	Inhibition of mTOR (unknown origin)
50047115	6	ChEBML_1557709	Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay
50047115	7	ChEBML_1557708	Inhibition of PI3K gamma (unknown origin) after 1 hr by ADP-Glo luminescent assay
50047117	1	ChEBML_1559916	Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by substrate addition
50047115	9	ChEBML_1557707	Inhibition of PI3K beta (unknown origin) after 1 hr by ADP-Glo luminescent assay
50047115	2	ChEBML_1557709	Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay
50047115	12	ChEMBL_1557714 (CHEMBL3772932)	Inhibition of human recombinant PI3K gamma by scintillation proximity radiometric assay
50047115	13	ChEMBL_1557713 (CHEMBL3772931)	Inhibition of human recombinant PI3K delta by scintillation proximity radiometric assay
50047115	14	ChEMBL_1557708 (CHEMBL3772926)	Inhibition of PI3K gamma (unknown origin) after 1 hr by ADP-Glo luminescent assay
50047118	1	ChEMBL_1557732 (CHEMBL3773091)	Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis
50029421	1	ChEMBL_139842 (CHEMBL745740)	Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]quinuclidinyl benzilate ([3H]QNB)
50029421	2	ChEMBL_140107 (CHEMBL748288)	Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]quinuclidinyl benzilate ([3H]QNB)
50029422	2	ChEMBL_160966 (CHEMBL769127)	Inhibition of Protein kinase C epsilon
50047118	2	ChEMBL_1557733 (CHEMBL3773092)	Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method
50029422	5	ChEMBL_160454 (CHEMBL761751)	Inhibition of protein kinase C beta
50047118	3	ChEMBL_1557734 (CHEMBL3773093)	Inhibition of NaDC1 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis
50047118	4	ChEMBL_1557735 (CHEMBL3773094)	Inhibition of NaDC3 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis
50029423	1	ChEMBL_79470 (CHEMBL691400)	Inhibition of HIV-1 Protease
50029424	15	ChEMBL_216635 (CHEMBL821039)	Rate constant against alpha-chymotrypsin from time dependent inhibition and reactivation data
50029425	1	ChEMBL_216031 (CHEMBL819739)	Kd for TEM-1 beta-lactamase
50029425	2	ChEBML_216031	Kd for TEM-1 beta-lactamase
50029426	1	ChEBML_158007	Prostaglandin I2 receptor binding by displacement of [3H]iloprost from human platelets
50029427	2	ChEMBL_158008 (CHEMBL768434)	Displacement of [3H]iloprost from Prostaglandin I2 receptor of human platelets
50029428	1	ChEBML_157657	Compound was tested for prostacyclin (PGI-2) binding by displacement of [3H]iloprost from human platelets using conventional ligand binding assay
50029429	1	ChEBML_158009	Compound was tested for its binding affinity against Prostaglandin I2 receptor using conventional ligand assay by the displacement of [3H]-iloprost from human platelets
50029430	1	ChEMBL_209938 (CHEMBL811918)	Inhibitory activity against Thromboxane A2 synthase in human platelet microsome
50047118	5	ChEMBL_1557738 (CHEMBL3773097)	Inhibition of NaCT in mouse hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method
50047118	6	ChEMBL_1557739 (CHEMBL3773098)	Inhibition of NaCT in rat hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method
50047119	1	ChEMBL_1557964 (CHEMBL3774040)	Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis
50047119	2	ChEMBL_1557963 (CHEMBL3774039)	Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis
50047119	3	ChEMBL_1557967 (CHEMBL3774043)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH (4 to 19 residues)-stimulated intracellular calcium mobilization after 24 hrs by fluorometric analysis
50047119	4	ChEMBL_1557973 (CHEMBL3774049)	Inhibition of human ERG by patch clamp test
50047120	1	ChEMBL_1557990 (CHEMBL3774221)	Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay
50029435	2	ChEMBL_36768 (CHEMBL650291)	Tested for its ability to displace the specific binding ligand [125I]-Sar 1,lle8-AlI from rat midbrain membrane (AT2 receptor)
50047120	2	ChEMBL_1558104 (CHEMBL3771679)	Inhibition of CYP3A4 (unknown origin)
50047120	3	ChEMBL_1558105 (CHEMBL3771680)	Inhibition of CYP2C9 (unknown origin)
50047120	4	ChEMBL_1558106 (CHEMBL3771681)	Inhibition of CYP1A2 (unknown origin)
50047120	5	ChEMBL_1558107 (CHEMBL3771682)	Inhibition of CYP2C19 (unknown origin)
50047120	6	ChEMBL_1558108 (CHEMBL3771683)	Inhibition of CYP2D6 (unknown origin)
50047121	1	ChEMBL_1558238 (CHEMBL3772235)	Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
50029436	1	ChEMBL_63700 (CHEMBL670656)	Inhibition of human endothelin B (ETB) receptor expressed in CHO cells
50029436	2	ChEMBL_65495 (CHEMBL682968)	Inhibition of human endothelin A (ETA) receptor expressed in CHO cells
50029437	1	ChEMBL_3906 (CHEMBL882929)	Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells
50047121	2	ChEMBL_1558242 (CHEMBL3772376)	Agonist activity at human S1P2 receptor expressed in Saccharomyces cerevisiae after 24 hrs by reporter gene assay
50047121	3	ChEMBL_1558245 (CHEMBL3772379)	Agonist activity at human S1P4 receptor expressed in CHO-K1 cells by aequorin calcium accumulation assay
50047121	4	ChEMBL_1558246 (CHEMBL3772380)	Agonist activity at human S1P5 receptor expressed in CHO-K1 cells by aequorin calcium accumulation assay
50047121	5	ChEMBL_1558250 (CHEMBL3772384)	Inhibition of human ERG
50047121	6	ChEMBL_1558262 (CHEMBL3772396)	Inhibition of CYP1A2 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using ethoxyresorufin as substrate after 10 mins by fluorescence assay
50047121	7	ChEMBL_1558263 (CHEMBL3772397)	Inhibition of CYP2C9 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 10 mins by fluorescence assay
50047121	8	ChEMBL_1558264 (CHEMBL3772398)	Inhibition of CYP2C19 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 3-butyryl-7-methoxycoumarin as substrate after 10 mins by fluorescence assay
50047121	9	ChEMBL_1558265 (CHEMBL3772399)	Inhibition of CYP2D6 (unknown origin) coexpressed in Escherichia coli with human NADPH reductase using 4-methylaminomethyl-7-methoyxycoumarin as substrate after 10 mins by fluorescence assay
50047121	10	ChEMBL_1558236 (CHEMBL3772233)	Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
50047121	11	ChEMBL_1558237 (CHEMBL3772234)	Agonist activity at human S1P3 receptor expressed in RBL cells by [35S]GTP-gammaS accumulation assay
50047121	12	ChEMBL_1558338 (CHEMBL3772775)	Inhibition of human CYP3A4 by VG metabolism assay
50047121	13	ChEMBL_1558339 (CHEMBL3772776)	Inhibition of human CYP3A4 by VR metabolism assay
50047122	1	ChEMBL_1558350 (CHEMBL3772787)	Displacement of [3H]CPX from human Adenosine A1 receptor expressed in CHO cells
50047122	2	ChEMBL_1558349 (CHEMBL3772786)	Displacement of [3H]CPX from human Adenosine A1 receptor expressed in DDT1MF-2 cells
50047122	3	ChEMBL_1558340 (CHEMBL3772777)	Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase reporter gene assay
50047122	4	ChEMBL_1558341 (CHEMBL3772778)	Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay
50047122	5	ChEMBL_1558342 (CHEMBL3772779)	Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay
50047122	6	ChEMBL_1558359 (CHEMBL3772951)	Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis
50047122	7	ChEMBL_1558360 (CHEMBL3772952)	Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis
50047123	1	ChEMBL_1558364 (CHEMBL3772956)	Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay
50029444	2	ChEMBL_58484 (CHEMBL670415)	Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats
50029444	3	ChEMBL_58485 (CHEMBL670416)	Compound was evaluated for its ability to displace [3H]spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats
50029444	4	ChEMBL_1158 (CHEMBL616103)	Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor
50029444	5	ChEMBL_1156 (CHEMBL616101)	Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor
50047123	2	ChEMBL_1558366 (CHEMBL3772958)	Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA
50029445	1	ChEMBL_138601 (CHEMBL880145)	Binding affinity towards human mutant NK-1 receptor in which His-197 has been replaced by alanine (H197A)
50047123	3	ChEMBL_1558371 (CHEMBL3772963)	Inhibition of methyltransferase activity of EZH2 in human lymphoma cells assessed as H3K27 methylation
50029446	1	ChEMBL_157473 (CHEMBL765792)	Compound was evaluated for the inhibition of prolyl endopeptidase (PEP) purified from human peripheral blood mononuclear cells
50029447	1	ChEMBL_216623 (CHEMBL819195)	Inhibition of Alpha-chymotrypsin was determined by competitive substrate assay method
50047124	1	ChEBML_1558374	Inhibition of KDM4D (unknown origin) by RFMS assay
50047124	2	ChEBML_1558373	Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay
50029452	1	ChEBML_36627	Binding affinity against AT1 receptor in human adrenal tissue
50047125	1	ChEMBL_1558446 (CHEMBL3773322)	Inhibition of recombinant human 5-HT transporter expressed in HEK293 cells assessed as reduction in [3H]-5-HT reuptake
50047125	2	ChEMBL_1558447 (CHEMBL3773323)	Inhibition of recombinant human norepinephrine transporter assessed as reduction in [3H]-NA reuptake
50047125	3	ChEMBL_1558448 (CHEMBL3773324)	Inhibition of recombinant human DA transporter assessed as reduction in [3H]-DA reuptake
50047125	4	ChEMBL_1558449 (CHEMBL3773325)	Inhibition of rat COMT
50047125	5	ChEMBL_1558443 (CHEMBL3773319)	Inhibition of human ERG channel tail current
50047125	6	ChEMBL_1558444 (CHEMBL3773320)	Inhibition of 5-HT in Wistar rat synaptosomes assessed as [3H]-5-HT reuptake by liquid scintillation counting
50047125	7	ChEMBL_1558445 (CHEMBL3773321)	Inhibition of DAT in Wistar rat synaptosomes assessed as [3H]-DA reuptake by liquid scintillation counting
50047126	1	ChEMBL_1558466 (CHEMBL3773501)	Pseudo-irreversible inhibition of Torpedo californica AChE using acetylthiocholine as substrate by cornish bowden plot analysis
50047126	2	ChEMBL_1558461 (CHEMBL3773337)	Inhibition of electric eel AChE by spectrophotometric-based Ellman's method
50029453	1	ChEBML_3964	Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemic cells
50029453	3	ChEMBL_3964 (CHEMBL618062)	Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemic cells
50047126	3	ChEMBL_1558460 (CHEMBL3773336)	Inhibition of equine serum BChE by spectrophotometric-based Ellman's method
50029455	4	ChEBML_61114	Inhibitory concentration against Dopamine receptor D2
50029455	6	ChEBML_84869	Inhibitory concentration against H1 receptor
50029455	7	ChEBML_149313	Inhibitory concentration against Opioid receptor mu 1
50029455	8	ChEBML_27485	Inhibitory concentration against Adenosine A1 receptor
50047127	1	ChEMBL_1558467 (CHEMBL3773502)	Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 production pretreated for 15 mins followed by addition of Amplex Red, horseradish peroxidase and substrate measured for 15 mins by fluorimetric method
50047127	2	ChEMBL_1558469 (CHEMBL3773504)	Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 production pretreated for 15 mins followed by addition of Amplex Red, horseradish peroxidase and substrate measured for 15 mins by fluorimetric method
50029456	2	ChEMBL_65795 (CHEMBL677976)	Binding affinity against ETA receptor in porcine aortic smooth muscle membrane was determined
50029457	1	ChEBML_65470	Binding affinity towards cloned human ETA receptor
50029457	2	ChEBML_63535	Binding affinity towards cloned human ETB receptor
50029458	1	ChEBML_90977	Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes
50029460	1	ChEBML_101765	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029460	2	ChEBML_102094	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3
50029460	3	ChEBML_105202	Inhibition of human Matrix metalloprotease-8
50029460	4	ChEBML_105051	Inhibition of Matrix metalloprotease-7
50029460	5	ChEBML_219181	Inhibition of human neutrophil gelatinase, matrix metalloprotease-2
50029460	6	ChEMBL_105051 (CHEMBL711565)	Inhibition of Matrix metalloprotease-7
50029460	7	ChEMBL_101762 (CHEMBL874153)	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029460	8	ChEMBL_219181 (CHEMBL881679)	Inhibition of human neutrophil gelatinase, matrix metalloprotease-2
50029460	9	ChEMBL_101925 (CHEMBL710555)	Inhibition of human neutrophil gelatinase, matrix metalloprotease-2
50029460	10	ChEMBL_101931 (CHEMBL874156)	Inhibition of human neutrophil gelatinase, matrix metalloprotease-2
50029461	1	ChEBML_47962	Inhibitory activity against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as radioligand.
50029461	2	ChEMBL_47964 (CHEMBL653978)	Inhibitory activity against Cholecystokinin type B receptor in guinea pig cerebral cortex using [125 I ]- CCK-8 as radioligand.
50029461	3	ChEMBL_50187 (CHEMBL662402)	Inhibitory activity against Cholecystokinin type A receptor in rat pancreas using [125 I ]- CCK-8 as radioligand.
50029461	4	ChEBML_50189	Inhibitory activity against Cholecystokinin type A receptor in rat pancreas using [125 I ]- CCK-8 as radioligand.
50047128	1	ChEMBL_1558481 (CHEMBL3773516)	Inhibition of recombinant HIV-1 reverse transcriptase using 234 nt long RNA template after 10 mins by liquid scintillation analysis
50047129	1	ChEMBL_1558489 (CHEMBL3773524)	Inhibition of human group 2A secreted phospholipase A2 by fluorescence assay
50047129	2	ChEMBL_1558490 (CHEMBL3773525)	Inhibition of human group 5 secreted phospholipase A2 by fluorescence assay
50047129	3	ChEMBL_1558491 (CHEMBL3773526)	Inhibition of mouse group 2A secreted phospholipase A2 by fluorescence assay
50047130	1	ChEBML_1558520	Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate
50029463	1	ChEMBL_91739 (CHEMBL873224)	Tested for inhibitory activity against kynurenine 3-hydroxylase
50029463	2	ChEBML_91739	Tested for inhibitory activity against kynurenine 3-hydroxylase
50029463	3	ChEBML_91726	Tested for inhibitory activity against kynureninase from rat liver
50047124	10	ChEMBL_1558373 (CHEMBL3772965)	Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay
50047124	9	ChEMBL_1558375 (CHEMBL3772967)	Inhibition of KDM4E (unknown origin) by RFMS assay
50047124	5	ChEMBL_1558380 (CHEMBL3772972)	Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay
50047124	7	ChEMBL_1558377 (CHEMBL3772969)	Inhibition of full-length EGLN3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by HTRF assay
50047124	4	ChEMBL_1558381 (CHEMBL3772973)	Inhibition of human KDM5C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs
50047124	3	ChEMBL_1558372 (CHEMBL3772964)	Inhibition of KDM4A (unknown origin) by RFMS assay
50047124	11	ChEMBL_1558374 (CHEMBL3772966)	Inhibition of KDM4D (unknown origin) by RFMS assay
50047124	8	ChEMBL_1558376 (CHEMBL3772968)	Inhibition of KDM6B (unknown origin) by RFMS assay
50047124	6	ChEMBL_1558378 (CHEMBL3772970)	Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs
50047131	1	ChEBML_1558383	Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Malachite Green assay
50029470	1	ChEBML_140321	Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand
50029471	1	ChEBML_54063	Inhibition measurement of orotate formation from radiolabeled dihydroorotate, using partially purified DHODase isolated from human liver.
50029472	1	ChEBML_144501	Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed by neuronal NOS from rat cerebellum.
50029472	2	ChEBML_144486	Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed by inducible NOS from mouse macrophage J774 cells
50029472	3	ChEBML_144357	Tested to inhibit the conversion of [3H]L-arginine to [3H]L-citrulline catalyzed by inducible NOS from human DLD-1 cells.
50029472	4	ChEBML_144481	Tested to inhibit the conversion of [3H]-L-arginine to [3H]L-citrulline catalyzed by endothelial NOS from human umbilical vein endothelial cells.
50029473	3	ChEMBL_28006 (CHEMBL642889)	Inhibitory activity against acyl-CoA: cholesterol acyltransferase (ACAT) in microsomes from monkey liver
50029474	1	ChEBML_141773	Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding assay on human IM9 lymphoblasts cultured cell line.
50029474	2	ChEBML_141782	Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding assay on rat brain membranes.
50029475	6	ChEMBL_146639 (CHEMBL754320)	Compound was evaluated for its binding affinity to Opioid receptor delta 1 in rat brain
50047132	1	ChEBML_1558820	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis
50047130	2	ChEBML_1558520	Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate
50047116	1	ChEMBL_1561917 (CHEMBL3778554)	Binding affinity to N-terminal His-tagged PCAF (715 to 831 residues) (unknown origin) expressed in Escherichia coli Rosetta cells by isothermal titration calorimetry
50047133	1	ChEBML_1561953	Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis
50047133	2	ChEBML_1561953	Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis
50047133	3	ChEBML_1561954	Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	4	ChEBML_1561955	Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	5	ChEBML_1561956	Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047117	2	ChEMBL_1559917 (CHEMBL3776735)	Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by substrate addition
50047117	8	ChEMBL_1559914 (CHEMBL3776499)	Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substrate addition
50047117	3	ChEBML_1559915	Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substrate addition
50029477	1	ChEMBL_205495 (CHEMBL810215)	Inhibition of human recombinant matrix metalloprotease-3 (Stromelysin) at 100 uM
50047117	4	ChEBML_1559914	Inhibition of bovine intestinal alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substrate addition
50029477	3	ChEBML_205494	Inhibition of human recombinant matrix metalloprotease-3 (Stromelysin) at 10 uM
50029477	4	ChEBML_49503	Inhibition of human recombinant interstitial collagenase MMP-1 at 100 uM
50029478	1	ChEBML_202260	Competitive inhibitory activity was evaluated against squalene synthase in rat liver.
50047131	4	ChEMBL_1556413 (CHEMBL3772287)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50047131	2	ChEMBL_1556414 (CHEMBL3772288)	Inhibition of CYP3A4 (unknown origin) using testostrone as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50047131	9	ChEMBL_1558383 (CHEMBL3772975)	Inhibition of human recombinant full length dCTPase expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by HTS-adapted Malachite Green assay
50029481	1	ChEBML_36192	Inhibition of aromatase cytochrome P450 19A1
50047131	8	ChEMBL_1558384 (CHEMBL3772976)	Inhibition of human recombinant DCTPP1 expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by PPiLight assay
50047131	5	ChEMBL_1556410 (CHEMBL3772284)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50047131	6	ChEMBL_1556411 (CHEMBL3772285)	Inhibition of CYP2C19 (unknown origin) using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50047131	3	ChEMBL_1556412 (CHEMBL3772286)	Inhibition of CYP2D6 (unknown origin) using bufuralol as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50047131	7	ChEMBL_1556409 (CHEMBL3772283)	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50029483	1	ChEBML_79465	Inhibitory activity against HIV protease
50047134	1	ChEMBL_1556442 (CHEMBL3772473)	Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50029487	1	ChEBML_47631	Kinetic parameter (Ki mM) was evaluated for the inactivation of cathepsin B
50029487	2	ChEBML_152660	Kinetic parameter (Ki mM) was evaluated for the inactivation of papain
50047134	2	ChEMBL_1556445 (CHEMBL3772476)	Inhibition of recombinant full length human PDE2A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50047134	3	ChEMBL_1556446 (CHEMBL3772477)	Inhibition of recombinant full length human PDE3B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50029490	1	ChEBML_148286	Tested for 50% of inhibition of Osteoclastic acid phosphatase (OAP) activity, determined using dose-response curve
50047134	4	ChEMBL_1556447 (CHEMBL3772478)	Inhibition of recombinant full lenght human PDE5A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay
50029493	1	ChEMBL_89181 (CHEMBL700499)	Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.
50047134	5	ChEMBL_1556449 (CHEMBL3772480)	Inhibition of recombinant full lenght human PDE7B using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50029493	3	ChEBML_89180	Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.
50047134	6	ChEMBL_1556450 (CHEMBL3772481)	Inhibition of recombinant full lenght human PDE8A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50047134	7	ChEMBL_1556451 (CHEMBL3772482)	Inhibition of recombinant full lenght human PDE9A using fluorescent labeled cGMP as substrate after 15 mins by IMAP assay
50047134	8	ChEMBL_1556441 (CHEMBL3772472)	Inhibition of recombinant full lenght human PDE10A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50029496	1	ChEBML_160953	Inhibition of Human Protein kinase C epsilon
50029496	3	ChEBML_160608	Inhibition of Human Protein kinase C beta 2
50047134	9	ChEMBL_1556452 (CHEMBL3772483)	Inhibition of recombinant full lenght human PDE11A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay
50029496	4	ChEBML_160645	Inhibition of Human Protein kinase C delta
50047135	1	ChEMBL_1556479 (CHEMBL3772656)	Inhibition of bovine MAO-A using kinuramine as substrate by fluorometric method
50047136	1	ChEMBL_1558562 (CHEMBL3773899)	Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter
50029497	1	ChEBML_79474	Compound was tested for the inhibition activity against HIV-1 protease
50029498	1	ChEBML_70917	Compound was tested for its ability to displace [125I]glucagon from the glucagon receptor
50029502	4	ChEMBL_40038 (CHEMBL651442)	Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas
50029500	1	ChEBML_36162	Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M
50029502	1	ChEBML_40187	Binding activity towards cholecystokinin-B (CCK-B) receptor in guinea pig cortex
50047137	1	ChEMBL_1558588 (CHEMBL3774077)	Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay
50029503	3	ChEBML_218200	Displacement of [3H]SKF-107260 from alpha IIb beta3 integrin
50047137	2	ChEMBL_1558582 (CHEMBL3774071)	Inhibition of bovine liver beta-galactosidase
50029504	1	ChEBML_211971	Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi
50047137	3	ChEMBL_1558581 (CHEMBL3774070)	Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 mins followed by substrate addition measured up to 10 mins
50047137	4	ChEMBL_1558579 (CHEMBL3774068)	Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substrate addition measured up to 10 mins
50047137	5	ChEMBL_1558578 (CHEMBL3774067)	Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substrate addition measured up to 10 mins
50047138	1	ChEMBL_1558598 (CHEMBL3774087)	Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production
50029508	2	ChEMBL_155169 (CHEMBL761907)	Inhibition of rolipram binding to Phosphodiesterase 4B
50047138	2	ChEMBL_1558600 (CHEMBL3774089)	Inhibition of CYP3A4 (unknown origin) by fluorescence assay
50047138	3	ChEMBL_1558617 (CHEMBL3774270)	Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) production after 19 hrs
50047139	1	ChEMBL_1558618 (CHEMBL3774271)	Inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	2	ChEMBL_1558619 (CHEMBL3774272)	Inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	3	ChEMBL_1558620 (CHEMBL3774273)	Inhibition of human tissue kallikrein-3 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	4	ChEMBL_1558621 (CHEMBL3774274)	Inhibition of human tissue kallikrein-5 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	5	ChEMBL_1558622 (CHEMBL3774275)	Inhibition of human tissue kallikrein-6 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	6	ChEMBL_1558623 (CHEMBL3774276)	Inhibition of human tissue kallikrein-7 expressed in baculovirus infected insect cells using Abz-KLYSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50047139	7	ChEMBL_1558632 (CHEMBL3774285)	Mixed-type inhibition of human tissue kallikrein-1 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
50047139	8	ChEMBL_1558641 (CHEMBL3771518)	Mixed-type inhibition of human tissue kallikrein-2 expressed in baculovirus infected insect cells using Abz-KLRSSQ-EDDnp as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
50047140	1	ChEBML_1558647	Antagonist activity at recombinant human TRPV1 channel expressed in CHO cells assessed as inhibition of capsiacin-induced Ca2+ flux by Fluo-3 dye based FLIPR assay
50047140	2	ChEBML_1558646	Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method
50047132	2	ChEBML_1558820	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis
50029510	5	ChEBML_98500	Binding affinity against Guinea pig membrane LTB4 Receptor.
50029511	1	ChEBML_48937	Inhibition of Cholesterol ester transfer protein (CETP)
50047132	3	ChEBML_1558820	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis
50047130	3	ChEMBL_1558520 (CHEMBL3773708)	Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate
50029512	12	ChEMBL_160967 (CHEMBL769128)	Inhibition of Protein kinase C epsilon
50047146	9	ChEMBL_1558879 (CHEMBL3772811)	Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addition for 50 mins by fluorescence assay
50047133	7	ChEBML_1561960	Inhibition of GST-tagged human ATAD2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50029512	13	ChEMBL_160782 (CHEMBL766471)	Inhibition of Protein kinase C delta
50047133	12	ChEBML_1561956	Inhibition of GST-tagged human BRDT bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	13	ChEBML_1561955	Inhibition of GST-tagged human BRD2 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	14	ChEBML_1561954	Inhibition of GST-tagged human BRD3 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047157	1	ChEMBL_1560322 (CHEMBL3779314)	Inhibition of Flag-tagged TRIM24-PHD/bromodomain (unknown origin) expressed in human HeLa cells for 2 hrs by AlphaLisa assay
50029512	14	ChEMBL_161284 (CHEMBL766914)	Inhibition of Protein kinase C gamma
50047157	2	ChEMBL_1560318 (CHEMBL3779310)	Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in Escherichia coli strains BL21 (DE3) cells using biotinylated H3K23ac (1 to 33 residues) peptide after 1 hr by AlphaScreen assay
50029514	1	ChEBML_96628	Compound was tested in vitro for its ability to inhibit human leukocyte elastase (HLE)
50047157	3	ChEMBL_1560326 (CHEMBL3779318)	Binding affinity to recombinant human His-tagged TRIM24-PHD/bromodomain expressed in Escherichia coli strains BL21 (DE3) cells by isothermal titration calorimetry
50047157	4	ChEMBL_1560327 (CHEMBL3779319)	Binding affinity to BRPF1 (unknown origin) expressed in Escherichia coli strains BL21 (DE3) cells by isothermal titration calorimetry
50047157	5	ChEMBL_1560328 (CHEMBL3779320)	Binding affinity to recombinant human TRIM24-PHD/bromodomain expressed in bacterial system by bromoscan assay
50047157	6	ChEMBL_1560329 (CHEMBL3779321)	Binding affinity to recombinant human BRPF1 expressed in bacterial system by bromoscan assay
50047157	7	ChEMBL_1560330 (CHEMBL3779322)	Binding affinity to recombinant human BRPF2 expressed in bacterial system by bromoscan assay
50047157	8	ChEMBL_1560331 (CHEMBL3779323)	Binding affinity to recombinant human BRPF3 expressed in bacterial system by bromoscan assay
50047157	9	ChEMBL_1560332 (CHEMBL3779324)	Binding affinity to recombinant human BAZ2B expressed in bacterial system by bromoscan assay
50047157	10	ChEMBL_1560333 (CHEMBL3779325)	Binding affinity to recombinant human TAF1 bromodomain 2 expressed in bacterial system by bromoscan assay
50047157	11	ChEMBL_1560533 (CHEMBL3776805)	Binding affinity to recombinant human BRD4 long isoform bromodomain 1 expressed in bacterial system by bromoscan assay
50047157	12	ChEMBL_1560534 (CHEMBL3776806)	Binding affinity to recombinant human BRD4 long isoform bromodomain 2 expressed in bacterial system by bromoscan assay
50047158	1	ChEMBL_1560567 (CHEMBL3777055)	Binding affinity to N-terminal GST-tagged recombinant human CREBBP expressed in Escherichia coli after 2 hrs using BET bromodomain ligand by TR-FRET assay
50047158	2	ChEMBL_1560566 (CHEMBL3777054)	Competitive binding affinity to partial length human CREBBP expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50047158	3	ChEMBL_1560570 (CHEMBL3777058)	Inhibition of CREBBP (unknown origin)
50047158	4	ChEMBL_1560571 (CHEMBL3777303)	Binding affinity to CREBBP (unknown origin) by fluorescence polarization assay
50047159	1	ChEMBL_1560590 (CHEMBL3777322)	Displacement of [3H]BK from cloned human B2 bradykinin receptor expressed in CHO cells after 2 hrs by liquid scintillation counter
50047159	2	ChEMBL_1560591 (CHEMBL3777323)	Displacement of 125I-NDP-a-MSH from human Melanocortin receptor 4 after 2 hrs by TopCount microplate scintillation and luminescence counter
50047159	3	ChEMBL_1560589 (CHEMBL3777321)	Binding affinity to Adenosine receptor A3 (unknown origin)
50047159	4	ChEMBL_1560588 (CHEMBL3777320)	Displacement of [3H] 8-OH-DPAT from rat 5-Hydroxytryptamine receptor 1A
50029518	1	ChEBML_36623	Tested for binding affinity against angiotensin II receptor in rat adrenal cortex
50029518	2	ChEBML_36640	Tested for binding affinity against angiotensin II receptor in rat adrenal cortex
50029518	3	ChEMBL_36623 (CHEMBL652863)	Tested for binding affinity against angiotensin II receptor in rat adrenal cortex
50029519	1	ChEBML_28302	Inhibition of Acetylcholinesterase (AChE) from human RBC
50029519	2	ChEMBL_28301 (CHEMBL645000)	In vitro inhibitory activity against Acetylcholinesterase from human RBC
50029520	1	ChEBML_142505	Compound was evaluated for its ability to displace [3H]-L-689,560 from rat cortical membrane
50047159	5	ChEMBL_1560587 (CHEMBL3777319)	Displacement of [3H]LSD from rat cloned 5-Hydroxytryptamine receptor 7 after 60 mins
50029521	2	ChEBML_160609	Inhibition of Protein kinase C beta 2
50029522	4	ChEBML_90324	Inhibition of platelet aggregation using human platelet rich plasma (hPRP) assay (200microL, 2-3 x 10e 8 platelets/mL, n=1)
50029522	3	ChEBML_70326	Inhibition of platelet aggregation in vitro using fibrinogen binding assay
50029524	1	ChEBML_51855	Inhibitory activity against human COX-2 expressed in baculovirus infected Sf9 cells
50047159	6	ChEMBL_1560584 (CHEMBL3777316)	Displacement of 2-[125I]Iodomelatonin from human MT2 melatonin receptor expressed in HEK cells after 120 mins
50047159	7	ChEMBL_1560583 (CHEMBL3777315)	Displacement of 2-[125I]Iodomelatonin from human MT1 melatonin receptor expressed in HEK cells after 120 mins
50047159	8	ChEMBL_1560582 (CHEMBL3777314)	Binding affinity to angiotensin II receptor (unknown origin)
50047159	9	ChEMBL_1560578 (CHEMBL3777310)	Displacement of [3H]-NR-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells by liquid scintillation counter
50047159	10	ChEMBL_1560577 (CHEMBL3777309)	Displacement of [3H]AVP from human Vasopressin V2 receptor expressed in HeLa cells after 2 hrs by liquid scintillation counter
50047159	11	ChEMBL_1560574 (CHEMBL3777306)	Displacement of [3H]N/OFQ from human nociceptin receptor
50047159	12	ChEMBL_1560573 (CHEMBL3777305)	Binding affinity to human kappa opioid receptor
50047159	13	ChEMBL_1560572 (CHEMBL3777304)	Binding affinity to human mu opioid receptor
50047160	1	ChEMBL_1560778 (CHEMBL3778475)	Inhibition of human recombinant HDAC1 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50029525	1	ChEBML_208256	Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation
50006474	1	ChEMBL_1970337 (CHEMBL4603155)	Inhibition of NAE-mediated neddylation in human MGC803 cells assessed as reduction in Nedd8-Ubcl2 adduct formation incubated for 24 hrs by Western blot analysis
50010333	1	ChEMBL_1970361 (CHEMBL4603179)	Allosteric activation of AMPK alpha2/beta1/gamma1 in human HepG2 cells by scintillation proximity assay
50047160	2	ChEMBL_1560779 (CHEMBL3778476)	Inhibition of human recombinant HDAC6 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50010334	1	ChEMBL_1970364 (CHEMBL4603182)	Inhibition of human recombinant AKR1B1 assessed as D,L-glyceraldehyde reduction incubated in sodium phosphate buffer at pH 6.2 in presence of NADPH
50010334	2	ChEMBL_1970365 (CHEMBL4603183)	Aggregation-based inhibition of human recombinant AKR1B1 assessed as D,L-glyceraldehyde reduction incubated in sodium phosphate buffer at pH 6.2 in presence of NADPH and 0.05% Triton X-100 by detergent-addition assay
50029527	2	ChEBML_160770	Inhibition of human Protein kinase C delta
50029527	3	ChEBML_161462	Inhibition of Protein kinase C zeta
50029527	4	ChEBML_161272	Inhibition of human Protein kinase C gamma
50029527	6	ChEBML_160960	Inhibition of human Protein kinase C epsilon
50029527	8	ChEBML_160616	Inhibition of human Protein kinase C beta 2
50047160	3	ChEMBL_1560780 (CHEMBL3778477)	Inhibition of human recombinant HDAC8 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50010334	3	ChEMBL_1970367 (CHEMBL4603185)	Inhibition of human recombinant AKR1B1 assessed as D,L-glyceraldehyde reduction pretreated with 0.3M DMSO followed by compound addition by DMSO-perturbation assay
50010334	4	ChEMBL_1970368 (CHEMBL4603186)	Inhibition of human recombinant AKR1B1 assessed as D,L-glyceraldehyde reduction pretreated with 0.7M DMSO followed by compound addition by DMSO-perturbation assay
50010334	5	ChEMBL_1970369 (CHEMBL4603187)	Inhibition of AKR1B10 (unknown origin) pretreated with 0.25M DMSO followed by compound treatment by DMSO-perturbation assay
50010334	6	ChEMBL_1970370 (CHEMBL4603188)	Inhibition of AKR1B10 (unknown origin) pretreated with 0.42M DMSO followed by compound treatment by DMSO-perturbation assay
50010334	7	ChEMBL_1970372 (CHEMBL4603190)	Inhibition of human recombinant AKR1B1 assessed as D,L-glyceraldehyde reduction pretreated with 1M DMSO followed by compound addition by DMSO-perturbation assay
50010335	1	ChEMBL_1970373 (CHEMBL4603191)	Inhibition of AChE (unknown origin)
50047160	4	ChEMBL_1560783 (CHEMBL3778480)	Inhibition of HDAC6 in human HeLa cells assessed as induction of tubulin acetylation incubated for 6 hrs by cytoblot assay
50047140	5	ChEMBL_1558646 (CHEMBL3771523)	Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method
50047140	7	ChEMBL_1558644 (CHEMBL3771521)	Agonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry
50047140	6	ChEMBL_1558645 (CHEMBL3771522)	Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated for 5 mins followed by capsiacin challenge by Fluo-4-AM dye based spectrofluorimetry
50047140	8	ChEMBL_1558647 (CHEMBL3771524)	Antagonist activity at recombinant human TRPV1 channel expressed in CHO cells assessed as inhibition of capsiacin-induced Ca2+ flux by Fluo-3 dye based FLIPR assay
50047143	1	ChEMBL_1558648 (CHEMBL3771525)	Inhibition of rabbit muscle glycogen phosphorylase-a assessed as formation of inorganic phosphate from glucose-1-phosphate by colorimetry
50047144	1	ChEMBL_1558659 (CHEMBL3771536)	Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the prsence of BSA
50010335	2	ChEMBL_1970374 (CHEMBL4603192)	Inhibition of BChE (unknown origin)
50047144	2	ChEMBL_1558657 (CHEMBL3771534)	Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA
50047144	3	ChEMBL_1558666 (CHEMBL3771543)	Inhibition of human recombinant NQO2 using DCPIP as substrate and NRH as cofactor in absence of BSA
50047141	3	ChEBML_1558524	Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay
50010336	221	ChEBML_1970783	Inhibition of recombinant full length human GST-tagged PRKD2 expressed in baculovirus expression system using serine/threonine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50047132	4	ChEMBL_1558820 (CHEMBL3772448)	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis
50010336	1	ChEBML_1970415	Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50010336	267	ChEBML_1970800	Inhibition of recombinant full length human N-terminal GST-tagged RPS6KA6 expressed in baculovirus expression system using ser/Thr20 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50047132	5	ChEMBL_1558822 (CHEMBL3772450)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced (45)Ca2+ uptake after 5 mins by liquid scintillation counting analysis
50010336	188	ChEMBL_1970753 (CHEMBL4603571)	Inhibition of recombinant human GST-tagged PDGFRalpha cytoplasmic domain (550 to 1089 residues) harboring T674I mutant expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50029534	1	ChEBML_79813	In vitro inhibitory activity against HIV-1 protease enzyme.
50047146	1	ChEBML_1558879	Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addition for 50 mins by fluorescence assay
50029536	2	ChEMBL_213122 (CHEMBL818201)	Blockade of synaptosomal sodium channels, inhibition of [14C]guanidinium ion flux into CHO cells expressing Type II sodium channel
50029536	3	ChEMBL_213123 (CHEMBL818202)	Blockade of synaptosomal sodium channels, inhibition of [14C]guanidinium ion flux into CHO cells expressing Type II sodium channel
50047146	8	ChEBML_1558887	Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addition for 30 mins by microplate reader analysis
50047146	5	ChEMBL_1558877 (CHEMBL3772809)	Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis
50047146	7	ChEBML_1558880	Inhibition of human acid ceramidase by UPLC/MS analysis
50047146	6	ChEMBL_1558887 (CHEMBL3772819)	Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addition for 30 mins by microplate reader analysis
50029538	1	ChEMBL_86286 (CHEMBL698901)	Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)
50029539	1	ChEMBL_214549 (CHEMBL820018)	Inhibition of binding of [3H]vasopressin to rat liver vasopressin V1a receptor
50029539	2	ChEMBL_149058 (CHEMBL761411)	Inhibition of binding of [3H]oxytocin to rat uterine oxytocin receptor
50029539	3	ChEMBL_214877 (CHEMBL820243)	Inhibition of binding of [3H]vasopressin to rat kidney vasopressin V2 receptor
50029540	1	ChEMBL_2047 (CHEMBL616844)	Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype
50029540	2	ChEMBL_201503 (CHEMBL805631)	Ability to inhibit Serotonin transporter
50029540	3	ChEMBL_874 (CHEMBL615929)	Inhibitory activity against 5-hydroxytryptamine 1A receptor subtype
50029540	4	ChEMBL_1626 (CHEMBL616512)	Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype
50029542	1	ChEBML_144606	Inhibitory activity against neutral endopeptidase at 30 mg/kg dose
50029542	2	ChEBML_144634	Inhibitory activity against neutral endopeptidase at 30 mg/kg dose
50029542	3	ChEBML_64348	Inhibitory activity against endothelin-converting enzyme
50029543	2	ChEBML_35281	Tested in vitro for Angiotensin II receptor, type 2 binding affinity using rabbit aorta binding assay
50047147	1	ChEMBL_1558897 (CHEMBL3772989)	Inhibition of Flag-tagged BRD4 (unknown origin)-biotinylated AcH4 (Lys5, 8, 12, 16) histone peptide binding expressed in CHO cells after 60 mins by TR-FRET assay
50047148	1	ChEMBL_1559063 (CHEMBL3773919)	Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA
50047148	2	ChEMBL_1559062 (CHEMBL3773918)	Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA
50047148	3	ChEMBL_1559061 (CHEMBL3773917)	Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA
50047148	4	ChEMBL_1559060 (CHEMBL3773916)	Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA
50047148	5	ChEMBL_1559056 (CHEMBL3773912)	Inhibition of human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay
50047148	6	ChEMBL_1559055 (CHEMBL3773911)	Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay
50047148	7	ChEMBL_1559054 (CHEMBL3773751)	Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay
50047148	8	ChEMBL_1559051 (CHEMBL3773748)	Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay
50047148	9	ChEMBL_1559053 (CHEMBL3773750)	Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay
50047148	10	ChEMBL_1559052 (CHEMBL3773749)	Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay
50047148	11	ChEMBL_1559064 (CHEMBL3773920)	Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA
50047148	12	ChEMBL_1559065 (CHEMBL3773921)	Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA
50047148	13	ChEMBL_1559066 (CHEMBL3773922)	Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA
50047148	14	ChEMBL_1559067 (CHEMBL3773923)	Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA
50047148	15	ChEMBL_1559068 (CHEMBL3773924)	Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA
50047148	16	ChEMBL_1559069 (CHEMBL3773925)	Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA
50047148	17	ChEMBL_1559070 (CHEMBL3773926)	Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA
50047149	1	ChEMBL_1559078 (CHEMBL3773934)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method
50047149	2	ChEMBL_1559080 (CHEMBL3773936)	Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins
50029547	2	ChEBML_28031	Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture
50047150	1	ChEMBL_1559108 (CHEMBL3774115)	Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50029548	1	ChEBML_79467	Inhibition of HIV-1 Protease
50047150	2	ChEMBL_1559109 (CHEMBL3774116)	Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50029552	1	ChEBML_37687	Tested for inhibition of Beta-1,3-glucan synthase using a crude membrane of Candida albicans (MY 1208).
50029553	1	ChEBML_200166	Inhibition constant (KI) for inactivation of semicarbazide-sensitive amine oxidase (SSAO)
50029554	1	ChEBML_28490	Compound at 5 uM concentration was tested in vitro for inhibition of Acyl-CoA: Cholesterol Acyltransferase (ACAT) in liver microsomes of cholesterol fed rats
50029554	3	ChEMBL_28490 (CHEMBL646708)	Compound at 5 uM concentration was tested in vitro for inhibition of Acyl-CoA: Cholesterol Acyltransferase (ACAT) in liver microsomes of cholesterol fed rats
50047150	3	ChEMBL_1559110 (CHEMBL3774117)	Inhibition of full length His6-tagged GST-fused recombinant human HDAC4 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50029555	1	ChEBML_51704	In vitro inhibitory activity against human recombinant cyclooxygenase-2 enzyme
50047150	4	ChEMBL_1559111 (CHEMBL3774118)	Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate after 3 hrs by fluorescence assay
50029556	1	ChEBML_1234	Tested in vitro for receptor binding affinity to 5-hydroxytryptamine 1A receptor in rat cortex using [3H]OH-DPAT radioligand
50029556	5	ChEBML_591	Compound was tested for the inhibition of forskolin-stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor in guinea pig
50047151	1	ChEMBL_1559131 (CHEMBL3771552)	Activation of human GLP1R expressed in HEK293 cells preincubated for 30 mins followed by addition of cAMP-d2 conjugate/cryptate conjugate incubated for 60 mins by fluorescence analysis
50047152	1	ChEMBL_1559175 (CHEMBL3771736)	Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA
50047153	1	ChEMBL_1559214 (CHEMBL3771917)	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells
50029558	1	ChEBML_202105	In vitro inhibitory activity against rat squalene synthase
50029559	1	ChEMBL_30902 (CHEMBL647246)	Inhibitory activity against Adenosine A2a receptor binding site
50029559	2	ChEBML_30902	Inhibitory activity against Adenosine A2a receptor binding site
50029559	3	ChEBML_29312	Binding affinity for Adenosine A1 receptor by inhibition of [3H]PIA binding to whole rat brain membranes
50029559	4	ChEMBL_28551 (CHEMBL641003)	Inhibitory activity against Adenosine A1 receptor binding site
50029560	1	ChEBML_101950	Inhibitory activity against human stromelysin-3 (MMP-3)
50029560	2	ChEBML_101914	Inhibitory activity against human gelatinase-A (MMP-2)
50029560	3	ChEBML_101752	Inhibitory activity against human collagenase (MMP-1)
50047153	2	ChEMBL_1559213 (CHEMBL3771916)	Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells
50047153	3	ChEMBL_1559219 (CHEMBL3772071)	Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins followed by 5-CT addition measured after 15 mins by HTRF assay
50047153	4	ChEMBL_1559225 (CHEMBL3772077)	Inhibition of recombinant human CYP3A4 by luminescence -based microplate reader assay
50047153	5	ChEMBL_1559212 (CHEMBL3771915)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells
50047141	2	ChEMBL_1558524 (CHEMBL3773712)	Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE dye based fluorescence assay
50047133	17	ChEMBL_1561957 (CHEMBL3778793)	Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	11	ChEMBL_1561953 (CHEMBL3778789)	Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis
50047133	16	ChEMBL_1561959 (CHEMBL3778795)	Inhibition of GST-tagged human BRD2 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	18	ChEMBL_1561958 (CHEMBL3778794)	Inhibition of human BRD3 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047133	19	ChEMBL_1561952 (CHEMBL3778788)	Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay
50047117	6	ChEBML_1559915	Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substrate addition
50047117	7	ChEMBL_1559916 (CHEMBL3776734)	Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 10.4 followed by substrate addition
50029565	1	ChEBML_36193	Inhibition of aromatase cytochrome P450 19A1
50047117	9	ChEMBL_1559915 (CHEMBL3776500)	Inhibition of human placental alkaline phosphatase using para-nitrophenylphosphate as substrate preincubated for 10 mins at pH 7.8 followed by substrate addition
50047155	1	ChEBML_1561203	Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tagged beta-arr2 in human CHOK1 cells assessed as inhibition of LPI induced beta-arrestin activity preincubated for 30 mins by PathHunter chemiluminescent complementation assay
50047160	5	ChEMBL_1560789 (CHEMBL3778486)	Inhibition of recombinant HDAC4 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	6	ChEMBL_1560787 (CHEMBL3778484)	Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	7	ChEMBL_1560788 (CHEMBL3778485)	Inhibition of recombinant HDAC3 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	8	ChEMBL_1560790 (CHEMBL3778487)	Inhibition of recombinant HDAC5 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	9	ChEMBL_1560791 (CHEMBL3778488)	Inhibition of recombinant HDAC7 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	10	ChEMBL_1560792 (CHEMBL3778489)	Inhibition of recombinant HDAC9 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047160	11	ChEMBL_1560793 (CHEMBL3778490)	Inhibition of recombinant HDAC10 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047156	1	ChEBML_1560118	Inhibition of human factor 10a using n-Acetyl-KPR-AFC as substrate preinubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047156	2	ChEBML_1560117	Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047160	12	ChEMBL_1560794 (CHEMBL3778491)	Inhibition of recombinant HDAC11 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis
50047161	1	ChEMBL_1561029 (CHEMBL3776325)	Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated histone H3 (1 to 21 residues) lysine 9 trimethylated peptide/2 uM alpha-ketoglutarate as substrate/cofactor measured after 45 mins by TR-FRET assay
50029567	1	ChEMBL_58461 (CHEMBL670392)	Binding affinity towards human cloned Dopamine D2 receptor in CHO cells by [3H]spiperone displacement.
50029567	2	ChEMBL_58777 (CHEMBL666892)	Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]spiperone displacement.
50029568	1	ChEMBL_58776 (CHEMBL666891)	Binding affinity towards cloned human Dopamine D3 receptor in CHO cells using [3H]spiperone as radioligand
50029568	2	ChEMBL_58460 (CHEMBL670391)	Binding affinity towards cloned human Dopamine D2 receptor in CHO cells using [3H]spiperone as radioligand
50029569	2	ChEMBL_99994 (CHEMBL710519)	Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes
50047161	2	ChEMBL_1561030 (CHEMBL3776326)	Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated histone H3 (1 to 21 residues) lysine 9 trimethylated peptide/50 uM alpha-ketoglutarate as substrate/cofactor measured after 45 mins by TR-FRET assay
50047161	3	ChEMBL_1561031 (CHEMBL3776327)	Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 50 uM ARK(Me3)STGGK peptide/50 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis
50047161	4	ChEMBL_1561032 (CHEMBL3776328)	Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 250 uM ARK(Me3)STGGK peptide/50 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis
50047161	5	ChEMBL_1561033 (CHEMBL3776329)	Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using 50 uM ARK(Me3)STGGK peptide/5 uM alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis
50047161	6	ChEMBL_1561034 (CHEMBL3776330)	Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARTKQTARK(Me3)STGGKA peptide/100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay
50029570	1	ChEMBL_79978 (CHEMBL874137)	Tested for inhibition of HIV protease using fluorogenic substrate
50047161	7	ChEMBL_1561035 (CHEMBL3776331)	Inhibition of N-terminal His6-tagged full-length FIH (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using SMDESGLPQLTSYDCEVNAPIQGSRNLLQGEELLRALDQVN peptide/100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay
50047161	8	ChEMBL_1561036 (CHEMBL3776332)	Inhibition of KDM5A (1 to 797 residues) (unknown origin) expressed in insect sf21 cells using ARTK(Me3)QTARKSTGGKAPRK peptide/ 100 uM alpha-ketoglutarate as substrate/cofactor incubated for 45 mins by MALDI assay
50047161	9	ChEMBL_1561037 (CHEMBL3776333)	Inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using biotinylated peptide/ 2 uM alpha-ketoglutarate as substrate/cofactor preincubated for 15 mins followed by substrate addition measured after 15 mins by alphascreen assay
50047161	10	ChEMBL_1561038 (CHEMBL3776334)	Inhibition of KDM2A (unknown origin) expressed in Escherichia coli using Biotin H3 (28 to 48 residues) Me2 KDM2A Cognate Ligande/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 15 mins followed by substrate addition measured after 30 mins by alphascreen assay
50047161	11	ChEMBL_1561039 (CHEMBL3776335)	Inhibition of KDM6B (unknown origin) expressed in Escherichia coli using H3 (21 to 44 residues) K27Me3-GGK-Biotin JMJD3 Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 5 mins by alphascreen assay
50047161	12	ChEMBL_1561040 (CHEMBL3776336)	Inhibition of KDM5B (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K4Me3-GGK-Biotin KDM5B Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay
50047161	13	ChEMBL_1561041 (CHEMBL3776337)	Inhibition of KDM3A (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me2-GGK-Biotin KDM3A Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay
50047161	14	ChEMBL_1561042 (CHEMBL3776338)	Inhibition of KDM4D (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9Me3-GGK-Biotin KDM4 Cognate Ligand/10 uM alpha-ketoglutarate as substrate/cofactor preincubated for 5 mins followed by substrate addition measured after 20 mins by alphascreen assay
50047161	15	ChEMBL_1561050 (CHEMBL3776533)	Competitive inhibition of N-terminal His6-tagged KDM4C (1 to 352 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3)pLysS using ARK(Me3)STGGK peptide/alpha-ketoglutarate as substrate/cofactor by FDH coupling-based Lineweaver-Burk plot analysis
50047162	1	ChEMBL_1561233 (CHEMBL3777864)	Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spectrometric analysis
50047162	2	ChEMBL_1561058 (CHEMBL3776541)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate incubated for 60 mins by MAO-Glo assay
50047162	3	ChEMBL_1561057 (CHEMBL3776540)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate incubated for 60 mins by MAO-Glo assay
50047162	4	ChEMBL_1561056 (CHEMBL3776539)	Inhibition of full length N-terminal His-tagged human LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide substrate by MALDI-TOF mass spectrometric analysis
50029574	1	ChEBML_35430	In vitro binding affinity at Angiotensin II Type 2 receptor in rabbit uterus membrane by [125I]AII displacement.
50047162	5	ChEMBL_1561055 (CHEMBL3776538)	Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide as substrate preincubated for 5 mins followed by substrate addition measured for 30 mins by peroxidase coupled assay
50047163	1	ChEMBL_1561263 (CHEMBL3778083)	Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus expression system using histone substrate incubated for 10 mins by radiometric gel assay
50047163	2	ChEMBL_1561262 (CHEMBL3778082)	Inhibition of full length recombinant human FLAG-tagged p300 expressed in baculovirus expression system using histone substrate incubated for 10 mins by radiometric gel assay
50047163	3	ChEMBL_1561264 (CHEMBL3778084)	Inhibition of recombinant full length p300 (unknown origin) using N-terminal H4-20 peptide substrate incubated for 7 mins by radiometric gel assay in presence of [14C]acetyl-CoA
50047163	4	ChEMBL_1561265 (CHEMBL3778085)	Inhibition of human recombinant C-terminal GST-tagged p300 (1195 to 1673 residues) expressed in competent Escherichia coli DH5alpha cells using histone substrate after 30 mins by scintillation counting method in presence of [3H]acetyl-CoA
50047163	5	ChEMBL_1561267 (CHEMBL3778087)	Inhibition of human recombinant p300 catalytic domain (1284 to 1673 residues) expressed in Escherichia coli using H4-8 peptide substrate by radiometric assay in presence of [3H]acetyl-CoA
50047163	6	ChEMBL_1561268 (CHEMBL3778088)	Inhibition of full length recombinant human His6-tagged p300 expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after 10 mins by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	7	ChEMBL_1561269 (CHEMBL3778089)	Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculovirus infected Sf21 cells using N-terminal H3 peptide substrate after 10 mins by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	8	ChEMBL_1561270 (CHEMBL3778090)	Inhibition of recombinant human PCAF catalytic domain (492 to 658 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	9	ChEMBL_1561260 (CHEMBL3778080)	Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	10	ChEMBL_1561274 (CHEMBL3778094)	Inhibition of recombinant GST-tagged p300 (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis
50047163	11	ChEMBL_1561275 (CHEMBL3778095)	Inhibition of recombinant GST-tagged CBP (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis
50047163	12	ChEMBL_1561276 (CHEMBL3778096)	Inhibition of recombinant PCAF (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis
50047163	13	ChEMBL_1561277 (CHEMBL3778097)	Inhibition of recombinant TIP60 (unknown origin) using histone H4 peptide substrate assessed as reduction in NADH formation by spectrophotometric analysis
50047163	14	ChEMBL_1561273 (CHEMBL3778093)	Inhibition of recombinant human p300 catalytic domain (1284 to 1673 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	15	ChEMBL_1561442 (CHEMBL3779178)	Inhibition of recombinant p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	16	ChEMBL_1561443 (CHEMBL3779179)	Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	17	ChEMBL_1561447 (CHEMBL3779183)	Inhibition of full length recombinant His6-tagged p300 (unknown origin) expressed in baculovirus infected sf21 cells using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	18	ChEMBL_1561448 (CHEMBL3779184)	Inhibition of full length recombinant His6-tagged p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	19	ChEMBL_1561449 (CHEMBL3779383)	Inhibition of recombinant His6-tagged p300 catalytic domain (1284 to1673 residues) (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	20	ChEMBL_1561450 (CHEMBL3779384)	Inhibition of recombinant PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	21	ChEMBL_1561452 (CHEMBL3779386)	Inhibition of full length recombinant FLAG-tagged PCAF (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	22	ChEMBL_1561456 (CHEMBL3779390)	Inhibition of recombinant human GST-tagged GCN5 expressed in bacterial system using histone H3 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by radiometric gel assay in presence of [3H]acetyl-CoA
50047163	23	ChEMBL_1561457 (CHEMBL3779391)	Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone H3 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by radiometric gel assay in presence of [3H]acetyl-CoA
50047163	24	ChEMBL_1561458 (CHEMBL3779392)	Inhibition of synthetic VMA-tagged p300 (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cells using H4-15 peptide substrate incubated for 10 mins by radiometric filter binding assay in presence of [14C]acetyl-CoA
50047163	25	ChEMBL_1561259 (CHEMBL3778079)	Inhibition of FLAG-tagged p300 (1195 to 1673 residues) (unknown origin) expressed in competent Escherichia coli BL21-CodonPlus(DE3)-RIL cells using histone H4 substrate incubated for 10 mins by scintillation counting method in presence of [14C]acetyl-CoA
50047163	26	ChEMBL_1561465 (CHEMBL3779399)	Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by orthogonal fluorescence assay in presence of [3H]acetyl-CoA
50047163	27	ChEMBL_1561466 (CHEMBL3779400)	Inhibition of GCN5 (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding based phenotypic screen in presence of [3H]acetyl-CoA
50047163	28	ChEMBL_1561467 (CHEMBL3779401)	Inhibition of PCAF (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding based phenotypic screen in presence of [3H]acetyl-CoA
50047163	29	ChEMBL_1561471 (CHEMBL3779405)	Inhibition of recombinant p300 catalytic domain (unknown origin) using N-terminal histone H3 substrate by radiometric filter binding based phenotypic screen in presence of [3H]acetyl-CoA
50047163	30	ChEMBL_1561472 (CHEMBL3779406)	Inhibition of p300 (unknown origin) using N-terminal histone H4-20 peptide substrate incubated for 10 mins by liquid scintillation counting method in presence of [14C]acetyl-CoA
50047163	31	ChEMBL_1561473 (CHEMBL3779407)	Inhibition of PCAF (unknown origin) using N-terminal histone H3-20 peptide substrate incubated for 3.5 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	32	ChEMBL_1561474 (CHEMBL3779611)	Inhibition of full length TIP60 (unknown origin) expressed in Escherichia coli using N-terminal histone H4-20 peptide substrate incubated for 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA
50047163	33	ChEMBL_1561266 (CHEMBL3778086)	Inhibition of yeast ESA1 using N-terminal histone H3 substrate by radiometric filter binding based virtual screen in presence of [3H]acetyl-CoA
50047163	34	ChEMBL_1561475 (CHEMBL3779612)	Inhibition of recombinant N-terminal His-tagged TIP60 (unknown origin) expressed in baculovirus-infected insect cell system using histone substrate incubated for 10 mins by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	35	ChEMBL_1561476 (CHEMBL3779613)	Inhibition of recombinant GST-tagged p300 (unknown origin) expressed in Escherichia coli cells using histone substrate incubated for 10 mins by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	36	ChEMBL_1561477 (CHEMBL3779614)	Inhibition of recombinant GST-tagged PCAF (unknown origin) expressed in Escherichia coli cells using histone substrate incubated for 10 mins by radiometric filter binding assay in presence of [3H]acetyl-CoA
50047163	37	ChEMBL_1561479 (CHEMBL3779616)	Inhibition of p53-CBP bromodomain interaction in human U2OS cells assessed as inhibition of p21 activation incubated overnight followed by doxorubicin addition measured after 24 hrs by luciferase reporter gene assay
50047163	38	ChEMBL_1561483 (CHEMBL3779620)	Inhibition of human His6-tagged CREBBP expressed in competent Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50047163	39	ChEMBL_1561484 (CHEMBL3779621)	Inhibition of human BRD4 by isothermal titration calorimetry
50047163	40	ChEMBL_1561485 (CHEMBL3779622)	Inhibition of human CREBBP expressed in competent escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry
50047163	41	ChEMBL_1561486 (CHEMBL3779623)	Inhibition of human p300 expressed in competent escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry
50047164	1	ChEMBL_1561677 (CHEMBL3777095)	Inhibition of human recombinant PI3K-alpha using phosphatidylinositol biphosphate as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF assay
50029576	1	ChEBML_195935	Inhibition against recombinant human renin (rHR)
50029579	1	ChEBML_140306	Inhibition of binding affinity of [3H]L-689,560 to the strychnine insensitive glycine site on rat brain membranes
50047164	2	ChEMBL_1561682 (CHEMBL3777100)	Inhibition of CYP3A4 (unknown origin)
50029581	3	ChEMBL_35407 (CHEMBL647506)	In vitro binding affinity of compound was determined against Angiotensin II receptor, type 2 in rat adrenal medulla preparation
50047164	3	ChEMBL_1561683 (CHEMBL3777101)	Inhibition of CYP2C19 (unknown origin)
50047164	4	ChEMBL_1561684 (CHEMBL3777102)	Inhibition of CYP2D6 (unknown origin)
50047165	1	ChEMBL_1561703 (CHEMBL3777121)	Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP substrate and [14C]IPP for 30 mins by liquid scintillation counter analysis
50047165	2	ChEMBL_1561702 (CHEMBL3777120)	Inhibition of recombinant GGDPS (unknown origin) assessed as radiolabeled GGPP formation preincubated for 10 mins followed by addition of 10 uM FPP substrate and [14C]IPP for 30 mins by liquid scintillation counter analysis
50047142	4	ChEBML_1562166	Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alphascreen assay
50029582	1	ChEBML_143032	In vitro inhibitory activity against human NK1 receptor was determined
50029583	1	ChEBML_69992	In vitro inhibition of farnesyl transferase
50029583	5	ChEBML_69991	In vitro inhibition of Human farnesyl transferase
50047142	5	ChEBML_1561971	Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by alphascreen assay
50029584	1	ChEBML_28506	Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)
50010336	264	ChEBML_1970817	Inhibition of recombinant full length human GST-tagged MST2 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50047155	2	ChEMBL_1561203 (CHEMBL3777631)	Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) over-expressed with N-terminal deletion beta-galactosidase mutant-tagged beta-arr2 in human CHOK1 cells assessed as inhibition of LPI induced beta-arrestin activity preincubated for 30 mins by PathHunter chemiluminescent complementation assay
50029588	1	ChEMBL_79817 (CHEMBL695236)	Inhibitory activity against purified HIV protease
50029588	2	ChEBML_79817	Inhibitory activity against purified HIV protease
50029589	1	ChEBML_197215	Agonist activity for retinoic acid receptor RXR gamma in transcriptional activation assay
50029589	2	ChEBML_195985	Agonist activity for retinoic acid receptor RAR gamma in transcriptional activation assay
50029589	3	ChEBML_197380	Agonist activity for retinoic acid receptor RAR alpha in transcriptional activation assay
50029589	4	ChEBML_197054	Agonist activity for retinoic acid receptor RXR beta in transcriptional activation assay
50029589	5	ChEBML_195473	Agonist activity for retinoic acid receptor RAR beta in transcriptional activation assay
50029589	6	ChEBML_196628	Agonist activity for retinoic acid receptor RXR alpha in transcriptional activation assay
50029590	1	ChEBML_140310	Tested for the inhibition of [3H]5,7-dichlorokynurenic acid (DCKA) binding to NMDA receptor
50047166	1	ChEBML_1561407	Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation counting analysis
50047167	1	ChEBML_1564755	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method
50029592	1	ChEBML_205575	Binding affinity to human Tachykinin receptor 1
50029593	1	ChEBML_38484	Agonistic activity against Beta-2 adrenergic receptor in rat uterus
50029593	2	ChEBML_39192	Agonistic activity against Beta-3 adrenergic receptor in rat colon
50029594	1	ChEBML_159886	Inhibitory activity against porcine kidney prolidase
50029594	3	ChEMBL_35589 (CHEMBL885304)	Inhibitory activity against angiotensin converting enzyme
50047168	1	ChEMBL_1565227 (CHEMBL3782621)	Competitive binding affinity to PPARalpha (unknown origin) by TR-FRET assay
50047168	2	ChEMBL_1565228 (CHEMBL3782622)	Competitive binding affinity to PPARbeta/delta (unknown origin) by TR-FRET assay
50047168	3	ChEMBL_1565229 (CHEMBL3782623)	Competitive binding affinity to PPARgamma (unknown origin) by TR-FRET assay
50047169	1	ChEBML_1565263	Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substrate incubated for 2 hrs by alphascreen assay
50047170	1	ChEMBL_1564503 (CHEMBL3783349)	Inhibition of human SIRT1 (133 to 747 amino acid residues) assessed as deacetylation using Z-Lys(Acetyl)-AMC as substrate measured after 4 hrs by fluorescence based microplate reader method in presence of 500 uM beta-NAD+
50047170	2	ChEMBL_1564504 (CHEMBL3783350)	Inhibition of human SIRT2 (25 to 389 amino acid residues) expressed in Escherichia coli BL21 (DE3) assessed as deacetylation using Z-Lys(Acetyl)-AMC as substrate measured after 4 hrs by fluorescence based microplate reader method in presence of 500 uM beta-NAD+
50047170	3	ChEMBL_1564505 (CHEMBL3783351)	Inhibition of human SIRT3 expressed in Escherichia coli BL21 (DE3) assessed as deacetylation using Z-Lys(Acetyl)-AMC as substrate measured after 4 hrs by fluorescence based microplate reader method in presence of 500 uM beta NAD+
50047170	4	ChEMBL_1564509 (CHEMBL3783355)	Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC analysis in presence of 0.5 mM beta-NAD+
50029596	1	ChEMBL_209043 (CHEMBL815489)	Inhibition constant for displacement of [3H]NKA from the cloned human NK2 receptor
50029596	3	ChEBML_209045	Displacement of [3H]NKA from the cloned human Tachykinin receptor 2 which has been expressed in baculovirus infected insect sf21 cells
50047170	5	ChEMBL_1564510 (CHEMBL3783356)	Inhibition of recombinant His6 tagged human SIRT2 using 0.39 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 12 mins HPLC analysis in presence of 0.5 mM beta-NAD+
50029597	1	ChEBML_79955	Inhibitory concentration required against HIV-1 protease
50047170	6	ChEMBL_1564511 (CHEMBL3783357)	Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC analysis in presence of 3.5 mM beta-NAD+
50047170	7	ChEMBL_1564502 (CHEMBL3783348)	Inhibition of SIRT3 (unknown origin)
50047170	8	ChEMBL_1564501 (CHEMBL3783347)	Inhibition of human SIRT2
50047170	9	ChEMBL_1564500 (CHEMBL3783346)	Inhibition of SIRT1 (unknown origin)
50047171	1	ChEMBL_1565118 (CHEMBL3782440)	Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 50 uM putrescine as substrate in presence of 100 uM dcSAM incubated for 1 hr by NMR analysis based constant-time batch reaction assay
50047171	2	ChEMBL_1565120 (CHEMBL3782442)	Inhibition of Trypanosoma cruzi strain CL Brener N-terminal poly-His tagged spermidine synthase expressed in Escherichia coli BL21(DE3) using 0.5 mM putrescine as substrate in presence of 1 mM dcSAM by FA-real time NMR analysis
50047171	3	ChEMBL_1565119 (CHEMBL3782441)	Inhibition of porcine spermidine synthase assessed as production of labeled 5'-methylthioadenosine using putrescine as substrate by enzymatic assay in presence of 10 uM decarboxylated AdoMet
50047172	1	ChEMBL_1565122 (CHEMBL3782444)	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA method
50047173	1	ChEMBL_1565146 (CHEMBL3782504)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting method
50047173	2	ChEMBL_1565145 (CHEMBL3782503)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting method
50029601	1	ChEBML_155162	Inhibition of platelet activating factor (PAF) by binding to PAF receptor
50029601	2	ChEMBL_155162 (CHEMBL760201)	Inhibition of platelet activating factor (PAF) by binding to PAF receptor
50047173	3	ChEMBL_1565150 (CHEMBL3782508)	Antagonist/inverse agonist activity at human CB2 receptors expressed in human Chem4 cell membrane incubated for 30 mins by [35S]GTPgammaS binding assay
50047173	4	ChEMBL_1565154 (CHEMBL3782512)	Displacement of [3H]HU-243 from CB1 receptor in Sprague-Dawley rat brain incubated for 90 mins
50047173	5	ChEMBL_1565155 (CHEMBL3782513)	Displacement of [3H]CP55940 from CB1 receptor in Wistar rat brain incubated for 60 mins by radioactive filter binding assay
50029603	1	ChEBML_159911	Inhibitory activity against human recombinant Prostaglandin G/H synthase 2
50047174	1	ChEMBL_1565685 (CHEMBL3782419)	Inhibition of MTH1 in human U2OS cells assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate after 1 hr by PPiLight assay
50047174	2	ChEMBL_1565468 (CHEMBL3782137)	Inhibition of recombinant human MTH1 assessed as hydrolysis of dGTP to dGMP and pyrophosphate after 15 mins by malachite green-based microplate reader analysis
50047174	3	ChEMBL_1565467 (CHEMBL3782136)	Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay
50029604	2	ChEMBL_71495 (CHEMBL680748)	Tested for inhibitory activity against gastric H+, K+-ATPase
50047175	1	ChEMBL_1563076 (CHEMBL3783629)	Inhibition of human ERG by QPatch assay
50047176	1	ChEMBL_1563231 (CHEMBL3784291)	Agonist activity at human LXRalpha transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047176	2	ChEMBL_1563232 (CHEMBL3784292)	Agonist activity at human LXRbeta transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047176	3	ChEMBL_1563233 (CHEMBL3784293)	Agonist activity at human FXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047176	4	ChEMBL_1563234 (CHEMBL3784294)	Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50029606	1	ChEBML_1446	Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT radioligand assay.
50047176	5	ChEMBL_1563235 (CHEMBL3784295)	Inverse agonist activity at human RORalpha transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay
50047176	6	ChEMBL_1563236 (CHEMBL3784296)	Inverse agonist activity at human RORbeta transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay
50047176	7	ChEMBL_1563237 (CHEMBL3784297)	Inverse agonist activity at human RORgamma transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay
50047176	8	ChEMBL_1563238 (CHEMBL3784298)	Partial agonist activity at human FXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047177	1	ChEMBL_1563244 (CHEMBL3784304)	Inhibition of recombinant human DNA topoisomerase 2alpha expressed in topoisomerase1 deficient Saccharomyces cerevisiae JEL1 assessed as inhibition of DNA scission activity after 30 mins by agarose gel electrophoresis
50047178	1	ChEMBL_1563413 (CHEMBL3782910)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay
50029607	1	ChEBML_145997	Compound was tested for its ability to displace bremazocine from Opioid receptor kappa 2 in hartley guinea pig brain membrane
50047178	2	ChEMBL_1563412 (CHEMBL3782909)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay
50029608	1	ChEBML_209925	Compound was tested for the ability to inhibit human platelets microsomal Thromboxane A2 synthase
50029609	1	ChEBML_47827	Displacement of [125I]-BH CCK-8S from Cholecystokinin type B receptor in guinea pig cortex
50029609	2	ChEBML_50051	Displacement of [125I]-BH CCK-8S from Cholecystokinin type A receptor in rat pancreas
50029609	4	ChEMBL_48111 (CHEMBL663098)	Compound was tested for its binding affinity by measuring the displacement of [125I]-BH CCK-8S from Cholecystokinin type B receptor in guinea pig cortex
50029610	1	ChEBML_157866	Tested for inhibitory activity against HIV protease
50029610	2	ChEMBL_157866 (CHEMBL764969)	Tested for inhibitory activity against HIV protease
50029611	1	ChEBML_101746	Inhibitory activity was tested against human collagenase (MMP-1)
50029612	1	ChEBML_101944	Inhibition of matrix metalloprotease-3 (MMP-3)
50029614	6	ChEMBL_70108 (CHEMBL681643)	Inhibitory activity against Farnesyl transferase; 8.5-27.0
50029614	5	ChEMBL_70107 (CHEMBL681642)	Inhibition of farnesyl transferase
50029616	1	ChEBML_209027	Tested for inhibition of human Neurokinin Tachykinin receptor 2.
50029616	2	ChEBML_142888	Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells
50047179	1	ChEMBL_1563595 (CHEMBL3783531)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 assessed as 5-LO product formation preincubated for 15 mins followed by addition of arachidonic acid as substrate measured after 10 mins by RP-HPLC analysis
50029616	4	ChEBML_209557	Tested for inhibition of human Tachykinin receptor 3
50047179	2	ChEMBL_1563594 (CHEMBL3783530)	Inhibition of FLAP in Ca+2 ionophore A23187 stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins by RP-HPLC analysis
50047180	1	ChEMBL_1563782 (CHEMBL3784202)	Inhibition of recombinant human VEGFR-2 expressed in Spodoptera frugiperda cells after 5 mins by using biotinylated poly-GluTyr (4:1) as substrate by Alpha Screen assay
50047180	2	ChEMBL_1563999 (CHEMBL3782953)	Inhibition of VEGFR-2 (unknown origin)
50047181	1	ChEMBL_1564734 (CHEMBL3784139)	Inhibition of JAK2 (unknown origin)
50047181	2	ChEMBL_1564733 (CHEMBL3784138)	Inhibition of JAK1 (unknown origin)
50029622	1	ChEBML_86281	In vitro inhibition of Human Leukocyte Elastase enzyme in whole blood stimulated with A-23187 (at dose 3 uM)
50047181	3	ChEMBL_1564741 (CHEMBL3784146)	Inhibition of JAK1 in human PBMC cells assessed as inhibition of IL-6-induced MCP1 secretion
50047181	4	ChEMBL_1564742 (CHEMBL3784147)	Inhibition of JAK2 in human CD34+ cells assessed as inhibition of EPO-mediated cell proliferation
50047181	5	ChEMBL_1564745 (CHEMBL3784252)	Inhibition of NUAK1 (unknown origin)
50047181	6	ChEMBL_1564746 (CHEMBL3784253)	Inhibition of BRSK1 (unknown origin)
50047181	7	ChEMBL_1564747 (CHEMBL3784254)	Inhibition of SNF1LK2 (unknown origin)
50047181	8	ChEMBL_1564748 (CHEMBL3784255)	Inhibition of FLT3 (unknown origin)
50047181	9	ChEMBL_1564847 (CHEMBL3784665)	Inhibition of AMPKa1 (unknown origin)
50047181	10	ChEMBL_1564848 (CHEMBL3784666)	Inhibition of PDGFRA (unknown origin)
50047181	11	ChEMBL_1564736 (CHEMBL3784141)	Inhibition of TYK2 (unknown origin)
50047181	12	ChEMBL_1564735 (CHEMBL3784140)	Inhibition of JAK3 (unknown origin)
50047182	1	ChEMBL_1564890 (CHEMBL3784810)	Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis
50047183	1	ChEMBL_1565051 (CHEMBL3782289)	Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047183	2	ChEMBL_1565052 (CHEMBL3782290)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047183	3	ChEMBL_1565053 (CHEMBL3782291)	Inhibition of cKIT (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047183	4	ChEMBL_1565054 (CHEMBL3782292)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047183	5	ChEMBL_1565055 (CHEMBL3782293)	Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50029627	1	ChEBML_90976	Binding affinity against IL-1 beta converting enzyme
50047183	6	ChEMBL_1565056 (CHEMBL3782294)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047184	1	ChEMBL_1565176 (CHEMBL3782568)	Inhibition of HIV1 reverse transcriptase using DIG-labeled dNTPs as substrate after 1 hr by ELISA
50047185	1	ChEMBL_1565189 (CHEMBL3782581)	Inhibition of Akt3 (unknown origin)
50029630	3	ChEMBL_86690 (CHEMBL694281)	Ratio of Koff to that of Kon was determined on human leukocyte elastase(HLE)
50047185	2	ChEMBL_1565188 (CHEMBL3782580)	Inhibition of Akt2 (unknown origin)
50047185	3	ChEMBL_1565187 (CHEMBL3782579)	Inhibition of Akt1 (unknown origin)
50047186	1	ChEMBL_1565204 (CHEMBL3782598)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay
50029630	4	ChEMBL_86698 (CHEMBL694289)	Evaluated for inhibitory activity against Human leukocyte elastase (HLE)
50047187	1	ChEMBL_1565335 (CHEMBL3782729)	Inhibition of human BuChE assessed as hydrolytic activity using butyrylthiocholine iodide as substrate measured for 15 mins by Ellmans assay
50047187	2	ChEMBL_1565223 (CHEMBL3782617)	Inhibition of human AChE assessed as hydrolytic activity using acetylthiocholine iodide as substrate measured for 15 mins by Ellmans assay
50047187	3	ChEMBL_1565221 (CHEMBL3782615)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation measured after 24 hrs by Thioflavin T-based fluorometric assay
50047188	1	ChEBML_1565336	Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone
50029631	1	ChEBML_49511	Evaluated for inhibitory activity against Human fibroblast collagenase (HFC)
50029632	1	ChEBML_101897	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029632	2	ChEBML_102098	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)
50029632	4	ChEMBL_101896 (CHEMBL710971)	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029632	5	ChEMBL_102110 (CHEMBL710487)	Inhibitory concentration of compound against human fibroblast stromelysin (HFS) was determined
50029632	6	ChEBML_102098	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3 (potent inhibitor)
50029633	1	ChEBML_101763	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029633	4	ChEBML_102092	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3
50047189	1	ChEMBL_1563456 (CHEMBL3783049)	Inhibition of VEGF2 receptor (unknown origin) by ELISA
50047189	2	ChEMBL_1563454 (CHEMBL3783047)	Agonist activity at PPAR-alpha receptor (unknown origin)
50047189	3	ChEMBL_1563455 (CHEMBL3783048)	Agonist activity at PPAR-gamma receptor (unknown origin)
50047189	4	ChEMBL_1563453 (CHEMBL3783046)	Competitive inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-alpha-methylglucoside uptake
50047190	1	ChEMBL_1563476 (CHEMBL3783161)	Inhibition of ovine COX-1 using arachidonic acid as substrate assessed as production of PGH2-alpha preincubated for 5 mins followed by addition of substrate measured after 2 mins by EIA
50047190	2	ChEMBL_1563477 (CHEMBL3783162)	Inhibition of ovine COX-2 using arachidonic acid as substrate assessed as production of PGH2-alpha preincubated for 5 mins followed by addition of substrate measured after 2 mins by EIA
50047191	1	ChEMBL_1563608 (CHEMBL3783544)	Binding affinity to dopamine D3 receptor (unknown origin) by PDSP assay
50047191	2	ChEMBL_1563482 (CHEMBL3783167)	Displacement of [3H](+)-pentazocine from human sigma1 receptor by PDSP assay
50047191	3	ChEMBL_1563481 (CHEMBL3783166)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay
50047191	4	ChEMBL_1563480 (CHEMBL3783165)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay
50047191	5	ChEMBL_1563479 (CHEMBL3783164)	Displacement of [3H]SCH2390 from human dopamine D1 receptor by PDSP assay
50029638	1	ChEBML_208671	Antagonistic activity against Tachykinin receptor 1
50029639	2	ChEBML_158156	Compound was tested for inhibitory activity against prostaglandin synthetase in mouse brain microsomes
50047192	1	ChEMBL_1563857 (CHEMBL3784463)	Inhibition of human recombinant glutaminyl cyclase expressed in Escherichia coli using H-Gln-Gln-H substrate measured for 15 mins by spectrophotometry
50029640	1	ChEBML_43649	In vitro inhibitory activity against human erythrocyte Calpain 1
50029640	2	ChEBML_47409	In vitro inhibitory activity against Cathepsin B
50029640	3	ChEBML_48361	In vitro inhibitory activity against cathepsin L
50029641	2	ChEMBL_43696 (CHEMBL653673)	Inhibition of Calpain 1 by [3H]acetyl-casein assay
50047193	1	ChEMBL_1563858 (CHEMBL3784464)	Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
50047193	2	ChEMBL_1563859 (CHEMBL3784465)	Agonist activity at S1P3 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
50047194	1	ChEBML_1563872	Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	2	ChEBML_1563871	Inhibition of human coagulation factor 7a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	3	ChEBML_1563870	Inhibition of human coagulation factor 9a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	4	ChEBML_1564072	Inhibition of human coagulation factor 10a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	5	ChEBML_1564073	Inhibition of human coagulation thrombin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	10	ChEBML_1564077	Inhibition of human plasmin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	11	ChEBML_1564076	Inhibition of human activated protein C assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	6	ChEBML_1564074	Inhibition of human coagulation trypsin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	7	ChEBML_1564075	Inhibition of human plasma kallikrein assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047142	13	ChEMBL_1561971 (CHEMBL3778807)	Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by alphascreen assay
50029644	1	ChEBML_159636	Inhibition of HIV protease cleavage of V-S-Q-N-(b-naphthylalanine)-P-I-V
50047142	12	ChEMBL_1561969 (CHEMBL3778805)	Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for 10 mins measured after 20 mins by alphascreen assay
50047142	9	ChEMBL_1561970 (CHEMBL3778806)	Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as substrate preincubated for 10 mins measured after 20 mins by alphascreen assay
50029646	2	ChEMBL_215989 (CHEMBL818492)	Inhibition of fibrinogen binding to glycoprotein alpha IIb beta-3 integrin of activated platelets
50029647	2	ChEBML_201947	The compound was tested for its inhibitory activity against rat Squalene epoxidase
50029648	1	ChEBML_208276	Evaluated for the inhibition of trehalase from porcine kidneys
50029649	2	ChEBML_195356	Inhibitory activity against HIV-1 RT with poly.rC-oligo.dG template primer
50047142	14	ChEMBL_1562166 (CHEMBL3776390)	Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alphascreen assay
50047142	11	ChEMBL_1561972 (CHEMBL3778979)	Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by alphascreen assay
50029652	1	ChEMBL_195193 (CHEMBL802229)	Transcriptional activation of retinoic acid receptor RAR alpha
50029652	3	ChEMBL_196170 (CHEMBL804943)	Transcriptional activation of retinoic acid receptor RAR gamma
50029652	4	ChEBML_196902	Transcriptional activation of retinoid X receptor RXR alpha; not active
50029652	5	ChEBML_195193	Transcriptional activation of retinoic acid receptor RAR alpha
50029652	6	ChEBML_195650	Transcriptional activation of retinoic acid receptor RAR beta
50029652	7	ChEMBL_195650 (CHEMBL796045)	Transcriptional activation of retinoic acid receptor RAR beta
50029652	8	ChEMBL_196900 (CHEMBL807184)	Transcriptional activation of retinoid X receptor RXR alpha
50029652	9	ChEBML_196170	Transcriptional activation of retinoic acid receptor RAR gamma
50029653	1	ChEBML_102085	Inhibition of human fibroblast stromelysin (MMP-3)
50029653	2	ChEBML_101756	Inhibition of human fibroblast collagenase (MMP-1)
50029653	3	ChEBML_101922	Inhibition of human gelatinase A (MMP-2)
50029654	1	ChEBML_29667	Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles
50029654	3	ChEMBL_29667 (CHEMBL636774)	Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesicles
50029656	1	ChEBML_145841	Inhibition of 9 (2 nM) binding to Opioid receptor kappa 1 of rat brain homogenate
50029656	2	ChEBML_138998	Inhibition of [3H]dihydromorphine (1 nM) binding to mu opioid receptor of rat brain homogenate
50029656	3	ChEBML_147179	Inhibition of [3H]-[D-Pen2, D-Pen5]-enkephalin (2 nM) to Opioid receptor delta 1 of male Sprague-Dawley rat brain homogenate
50029657	2	ChEBML_142895	Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cells
50029660	2	ChEMBL_65461 (CHEMBL682101)	Antagonistic activity against endothelin A (ETA) receptor using human neuroblastoma cell line.
50029660	3	ChEBML_65467	Binding affinity in LtK cells stably transfected with human endothelin A (ETA) receptor
50029660	4	ChEMBL_63523 (CHEMBL677271)	Antagonistic activity against endothelin B (ETB) receptor using human girardi heart cells.
50029660	7	ChEMBL_65467 (CHEMBL682107)	Binding affinity in LtK cells stably transfected with human endothelin A (ETA) receptor
50047142	10	ChEMBL_1562165 (CHEMBL3776389)	Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by alphascreen assay
50047142	8	ChEMBL_1562167 (CHEMBL3776391)	Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alphascreen assay
50029665	15	ChEMBL_2040 (CHEMBL616838)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 30-70
50029665	4	ChEMBL_607 (CHEMBL615476)	Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; value ranges from 85-370
50029665	5	ChEBML_84866	Compound was tested for its affinity towards histaminergic (H 1) receptor
50029665	6	ChEMBL_3369 (CHEMBL620606)	Compound was tested for its affinity towards 5-hydroxytryptamine 4 receptor
50029665	7	ChEMBL_2037 (CHEMBL616871)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 0.24-0.55
50029665	9	ChEBML_32905	Compound was tested for its affinity towards Alpha-2 adrenergic receptor
50029665	10	ChEBML_58624	Compound was tested for its affinity towards dopaminergic (D2) receptor
50029665	25	ChEMBL_198199 (CHEMBL799818)	Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1A receptor in HeLa cells; value ranges from 50-550
50029665	17	ChEMBL_201050 (CHEMBL803827)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-HT 1D-beta receptor in CHO-K1 cells
50029665	19	ChEBML_138340	Compound was tested for its affinity towards muscarinic (M) receptor
50029665	20	ChEMBL_608 (CHEMBL615477)	Compound was tested for its ability to inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1A receptor in HeLa cells; value ranges from 95-320
50029665	21	ChEBML_3460	Compound was tested for its affinity towards 5-hydroxytryptamine 3 receptor
50029665	23	ChEBML_1875	Compound was tested for its affinity towards 5-hydroxytryptamine 1C receptor
50029665	24	ChEBML_201193	Compound was tested for its affinity towards 5-hydroxy tryptamine 4 receptor
50029665	27	ChEBML_1871	Compound was tested for its affinity towards 5-hydroxytryptamine 1C receptor
50029666	1	ChEBML_64293	Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant
50029667	1	ChEBML_86700	Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant
50029668	1	ChEBML_159623	Inhibitory activity against HIV-1 protease
50029669	1	ChEBML_80082	Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assay
50029669	2	ChEMBL_80082 (CHEMBL692012)	Inhibitory activity against human immunodeficiency virus protease (HIVP) using protease inhibition assay
50029670	1	ChEBML_157737	Inhibitory activity HIV-1 protease enzyme
50029671	3	ChEMBL_35591 (CHEMBL648287)	Inhibition of angiotensin converting enzyme (ACE)
50029671	2	ChEBML_144603	Inhibition of neutral endopeptidase (NEP) 24.11
50047195	1	ChEMBL_1562415 (CHEMBL3778151)	Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-time fluorometric analysis
50029675	1	ChEBML_144115	Inhibitory activity against rat kidney Na+/K+ ATPase was determined by fiske subbarow method
50029676	1	ChEBML_90089	Binding affinity of compound was determined by its ability to displace specifically bound Inositol 1,4,5-trisphosphate receptor from purified porcine cerebellum membrane
50029677	2	ChEBML_159254	In vitro inhibitory activity against inducible form of human recombinant Prostaglandin G/H synthase 1
50029677	3	ChEMBL_51700 (CHEMBL665715)	In vitro inhibitory activity against inducible form of human recombinant cyclooxygenase (COX-2)
50029678	2	ChEMBL_99494 (CHEMBL705024)	In vitro inhibitory activity was evaluated against leukotriene B4 (LTB4) in guinea pig binding assay
50029678	3	ChEBML_99655	In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) induced Chemotaxis
50047196	1	ChEMBL_1562433 (CHEMBL3778169)	Inhibition of KDM4A (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analysis
50047196	2	ChEMBL_1562434 (CHEMBL3778170)	Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analysis
50029678	7	ChEMBL_99837 (CHEMBL706757)	In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)
50029679	1	ChEBML_221673	Inhibition of cellular oncogene pp60 c-src
50029679	2	ChEBML_221782	Inhibition of epidermal growth factor receptor (EGFR)
50047196	3	ChEMBL_1562605 (CHEMBL3779254)	Inhibition of full length human HALO-tagged KDM4C expressed in human U2OS cells assessed as level of H3K9Me3 demethylation incubated overnight by Hoechst 33342/HaloTag/ Alexa Fluor 647 staining-based image analysis
50047196	4	ChEMBL_1562429 (CHEMBL3778165)	Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analysis
50047196	5	ChEMBL_1562428 (CHEMBL3778164)	Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analysis
50029681	1	ChEBML_65333	Binding affinity against ETA receptor from dog spleen membranes using [125I]ET1 as radioligand.
50029682	1	ChEBML_59304	Kinetic constant for inhibition (KI) of Dopamine beta-Hydroxylase (DBH) from bovine adrenal medulla
50029683	1	ChEBML_195958	Inhibitory activity against renin was determined
50029684	1	ChEBML_51696	Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)
50047196	6	ChEMBL_1562427 (CHEMBL3778163)	Inhibition of human KDM6B catalytic domain using H3(20 to 36 residues)K27Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analysis
50047196	7	ChEMBL_1562430 (CHEMBL3778166)	Inhibition of full length His-MBP-att-EGLN3 (1 to 239 residues) (unknown origin) in Escherichia coli BL21(DE3)pRR692 cells assessed as hydroxylation of the cy-5 labelled C-terminal oxygen dependent domain of substrate Hif2A preincubated for 30 mins followed by substrate addition measured after 40 mins by TR-FRET assay
50047196	8	ChEMBL_1562607 (CHEMBL3779256)	Inhibition of full length human HALO-tagged KDM5C1 expressed in human U2OS cells assessed as level of H3K9Me3 demethylation incubated overnight by Hoechst 33342/HaloTag/ Alexa Fluor 647 staining-based image analysis
50047196	9	ChEMBL_1562608 (CHEMBL3779257)	Inhibition of KDM5C catalytic domain (1 to 764 residues) (unknown origin) expressed in Baculovirus-infected insect Sf9 cells using H3K4Me3 peptide as substrate assessed as demethylation of substrate preincubated for 10 mins followed by substrate addition in presence of alpha-ketoglutarate by Rapidfire mass spectrometric analysis
50047196	10	ChEMBL_1562609 (CHEMBL3779258)	Inhibition of OATP1B1 (unknown origin)
50047197	1	ChEMBL_1562613 (CHEMBL3779451)	Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substrate by enzyme immunoassay
50047197	2	ChEMBL_1562611 (CHEMBL3779260)	Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liquid scintillation counting
50029689	3	ChEBML_154779	Bimolecular rate constant (ki) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate
50029690	2	ChEBML_28491	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from rat liver
50029690	7	ChEBML_28010	Compound was evaluated for inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in microsomes from HEP G2 cells.
50029691	1	ChEBML_48442	Ability to displace [125I]CCK-8 from gastrin/Cholecystokinin type B receptor from rat brain
50029691	2	ChEBML_47664	Compound was evaluated for its ability to displace [3H]-L-364,718 from Cholecystokinin type A receptor from rat pancreas
50029691	3	ChEBML_50042	Compound was evaluated for its ability to displace [3H]L-364718 from Cholecystokinin type A receptor from rat pancreas
50029691	4	ChEMBL_47665 (CHEMBL657377)	Compound was evaluated for its ability to displace [3H]L-364718 from Cholecystokinin type A receptor from rat pancreas at dose of 0.03 umol/kg
50029692	1	ChEBML_50038	Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand
50029692	2	ChEBML_48441	Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]CCK-8 as the radioligand
50047197	3	ChEMBL_1562612 (CHEMBL3779261)	Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substrate by enzyme immunoassay
50029694	1	ChEBML_27806	Inhibition of bovine erythrocyte acetylcholinesterase (AChE)
50042156	8	ChEMBL_58976 (CHEMBL668641)	Binding affinity towards Dopamine receptor D1 by displacement of [3H]SCH-23,390
50034833	2	ChEMBL_53500 (CHEMBL664122)	In vitro test for inhibitory activity against human dipeptidyl peptidase IV.
50029696	1	ChEBML_159917	Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expressed in microsomes taken from baculovirus infected Sf9 cells
50029697	1	ChEBML_210	Inhibitory activity against human platelet 12-lipoxygenase
50029697	2	ChEBML_196592	Inhibitory activity against reticulocyte 15-lipoxygenase in rabbit was evaluated.
50029697	3	ChEBML_4167	Inhibitory activity against rat basophilic leukemia cell 5-lipoxygenase
50029697	4	ChEMBL_196592 (CHEMBL800470)	Inhibitory activity against reticulocyte 15-lipoxygenase in rabbit was evaluated.
50029699	1	ChEBML_159467	Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM
50029700	1	ChEBML_34255	Compound was tested for inhibition of alpha-galactosidase from green coffee beans.
50029700	4	ChEBML_37576	Compound was tested for inhibition of beta-glucosidase from sweet almonds.
50029700	6	ChEBML_34128	Compound was tested for inhibition of alpha-fucosidase from bovine kidney.
50029701	1	ChEBML_159443	In vitro inhibitory activity against HIV-1 protease(PR).
50029702	2	ChEBML_58186	Compound was tested for binding affinity against Dopamine receptor D1 using 1 nM [3H]SCH-23390 as the radioligand.
50029702	3	ChEBML_58711	Compound was tested for binding affinity against Dopamine receptor D2 using 10 nM [3H]N-methyl-spiperone as the radioligand.
50029702	4	ChEBML_136064	Compound was tested for binding activity against mu opioid receptor in bovine striatal membranes using 0.25 nM [3H]DAMGO as the radioligand.
50029702	5	ChEBML_145385	Compound was tested for binding activity against Opioid receptor kappa 1 in bovine striatal membranes using 1 nM [3H]U-69593 as the radioligand.
50047198	1	ChEMBL_1560862 (CHEMBL3778934)	Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay
50047198	2	ChEMBL_1560863 (CHEMBL3778935)	Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay
50029707	2	ChEBML_63607	Inhibition of tyrosine kinase Epidermal growth factor receptor
50029707	8	ChEMBL_152441 (CHEMBL761266)	Inhibition of tyrosine kinase(PDGF-R)
50029707	5	ChEBML_153149	Inhibition of serine/threonine kinase(PKC-delta)
50029707	7	ChEMBL_152946 (CHEMBL757145)	Inhibition of serine/threonine kinase(PKA)
50029707	6	ChEBML_216849	Inhibition of tyrosine kinase(c-Src)
50047198	3	ChEMBL_1560658 (CHEMBL3777826)	Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay
50047198	4	ChEMBL_1560657 (CHEMBL3777825)	Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay
50047198	5	ChEMBL_1560843 (CHEMBL3778915)	Antagonist activity at CRF-R1 in mouse AtT-20 cells assessed as inhibition of human CRF induced cAMP accumulation after 30 mins by radioimmunoassay
50047198	6	ChEMBL_1560844 (CHEMBL3778916)	Antagonist activity at CRF-R2 beta in rat A7r5 cells assessed as inhibition of rat Ucn1 induced cAMP accumulation after 30 mins by radioimmunoassay
50047199	1	ChEMBL_1561095 (CHEMBL3776819)	Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated K4 peptide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by time-resolved fluorescence assay
50047200	1	ChEMBL_1561283 (CHEMBL3778103)	Inhibition of human RARbeta
50047200	2	ChEMBL_1561282 (CHEMBL3778102)	Inhibition of human RARalpha
50047200	3	ChEMBL_1561281 (CHEMBL3778101)	Inhibition of human PR
50047200	4	ChEMBL_1561280 (CHEMBL3778100)	Inhibition of human PPARdelta
50047200	5	ChEMBL_1561279 (CHEMBL3778099)	Inhibition of human PPARgamma
50047200	6	ChEMBL_1561278 (CHEMBL3778098)	Inhibition of human PPARalpha
50029709	4	ChEMBL_70143 (CHEMBL685966)	Inhibition of farnesyl protein transferase from bovine brain
50029709	2	ChEBML_202100	Inhibition of squalene synthase from rat liver microsomes
50029709	5	ChEMBL_70142 (CHEMBL685965)	Inhibition of Farnesyltransferase from bovine brain
50047200	7	ChEMBL_1561121 (CHEMBL3776845)	Inhibition of mouse LXRalpha
50047200	8	ChEMBL_1561120 (CHEMBL3776844)	Inhibition of human FXR
50047200	9	ChEMBL_1561119 (CHEMBL3776843)	Inhibition of human VDR
50047200	10	ChEMBL_1561118 (CHEMBL3776842)	Inhibition of human RXRalpha
50047200	11	ChEMBL_1561117 (CHEMBL3776841)	Inhibition of mouse GR
50047200	12	ChEMBL_1561116 (CHEMBL3776840)	Inhibition of human RORbeta
50047200	13	ChEMBL_1561115 (CHEMBL3776839)	Inhibition of human SF-1 receptor
50047200	14	ChEMBL_1561114 (CHEMBL3776838)	Inhibition of human RORalpha
50047200	15	ChEMBL_1561113 (CHEMBL3776837)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	16	ChEMBL_1561112 (CHEMBL3776836)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	17	ChEMBL_1561111 (CHEMBL3776835)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	18	ChEMBL_1561110 (CHEMBL3776834)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	19	ChEMBL_1561109 (CHEMBL3776833)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	20	ChEMBL_1561108 (CHEMBL3776832)	Inhibition of human CYP3A4
50047200	21	ChEMBL_1561101 (CHEMBL3776825)	Inhibition of human GST-tagged RORgamma ligand binding domain (253 to 518 residues) expressed in sf9 cells using biotin-EEPSLLKKLLLAPA by FRET assay
50047200	22	ChEMBL_1561100 (CHEMBL3776824)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with substrate for 5 mins followed by NADPH addition measured after 20 mins by HPLC analysis
50047200	23	ChEMBL_1561096 (CHEMBL3776820)	Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase reporter gene assay
50047200	24	ChEMBL_1561097 (CHEMBL3776821)	Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase reporter gene assay
50047201	1	ChEMBL_1561528 (CHEMBL3776165)	Inhibition of human ERG tail current by plate-based planar patch clamp system
50029712	2	ChEMBL_208326 (CHEMBL813519)	Compound was evaluated for inhibition of human alpha-thrombin catalytic activity
50047201	2	ChEMBL_1561511 (CHEMBL3776148)	Inhibition of human recombinant mu1 opioid receptor expressed in HEK293 cells
50047201	3	ChEMBL_1561510 (CHEMBL3776147)	Inhibition of recombinant human bradykinin receptor 2 expressed in CHO cells
50047201	4	ChEMBL_1561509 (CHEMBL3776146)	Inhibition of recombinant human adenosine receptor A1 expressed in CHO cells
50047201	5	ChEMBL_1561516 (CHEMBL3776153)	Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay
50029714	2	ChEBML_60231	Binding affinity at Dopamine D2 receptors in rat striatum by [3H]spiperone displacement.
50029714	4	ChEMBL_61961 (CHEMBL670419)	Compound was evaluated for effective concentration required for stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells
50029715	5	ChEMBL_63187 (CHEMBL679790)	Compound was evaluated for the receptor binding activity in rabbit artery vascular smooth muscle cells expressing Endothelin A receptor
50048399	1	ChEMBL_199856 (CHEMBL804920)	Inhibitory activity against Selectin E
50029718	2	ChEMBL_70337 (CHEMBL678842)	Inhibition of [125I]- Fg binding to fibrinogen receptor of activated human platelets
50047201	6	ChEMBL_1561513 (CHEMBL3776150)	Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay
50029716	1	ChEBML_157557	Inhibitory activity against HIV protease enzyme.
50029717	1	ChEMBL_196712 (CHEMBL803315)	Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase. 
50029717	2	ChEMBL_196586 (CHEMBL800464)	Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase. 
50029717	3	ChEBML_196586	Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase. 
50029719	1	ChEBML_48254	Inhibitory activity against Cholecystokinin type B receptor
50029719	2	ChEBML_71517	Inhibitory activity against gastrin receptor
50029719	3	ChEBML_49903	Inhibitory activity against Cholecystokinin type A receptor
50029720	1	ChEBML_48255	Inhibitory activity against Cholecystokinin type B receptor
50029720	2	ChEBML_71518	Inhibitory activity against gastrin receptor.
50029720	3	ChEBML_50032	Inhibitory activity against Cholecystokinin type A receptor
50047202	1	ChEBML_1561530	Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry
50047156	3	ChEMBL_1560117 (CHEMBL3778013)	Inhibition of human factor 9a using CH3SO2-DCHG-Gly-Arg-AFC.AcOH as substrate preinubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047203	1	ChEMBL_1560167 (CHEMBL3778238)	Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after 20 mins by HTRF assay
50029726	1	ChEBML_38659	Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human BGT-1 transporter
50029726	2	ChEBML_70050	Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human GAT-1 transporter
50029726	3	ChEBML_70052	Compound was tested for its ability to inhibit uptake of [3H]- GABA by cloned human GAT-3 transporter
50047203	2	ChEMBL_1560166 (CHEMBL3778237)	Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addition measured after 20 mins by HTRF assay
50029727	1	ChEBML_43478	Inhibitory activity against calpain
50029728	1	ChEBML_88346	Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils
50029728	2	ChEBML_88346	Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils
50029728	4	ChEMBL_89925 (CHEMBL873225)	Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay
50029728	3	ChEBML_3901	Compound was tested for inhibition of 5-lipoxygenase activity in a broken cell supernatant rat basophilic leukemia cells
50029728	5	ChEMBL_88346 (CHEMBL700005)	Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils
50029730	2	ChEBML_136063	Compound was tested for Inhibition of [3H]DAMGO (0.25 nM) binding to mu receptor from bovine striatal membranes
50029730	3	ChEBML_145384	Compound was tested for Inhibition of [3H]-DPDPE (0.2 nM) binding to Opioid receptor kappa 1 from bovine striatal Membranes
50029731	1	ChEBML_142882	Affinity for human NK1 receptor determined by displacement of [125I]- Substance P from human NK1 receptor in CHO cells
50029732	1	ChEBML_195772	In vitro binding affinity was tested against purified human renin at pH 7.2
50029733	1	ChEBML_205490	Inhibition of human fibroblast stromelysin, matrix metalloprotease-3
50029733	2	ChEBML_101741	Inhibition of human fibroblast collagenase, matrix metalloprotease-1
50029733	3	ChEBML_102104	Inhibition of matrilysin, matrix metalloprotease-7
50029735	1	ChEBML_43658	Inhibitory activity of compound against recombinant human Calpain 1
50029736	3	ChEBML_143191	Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3 receptor from gerbil cortex
50029736	5	ChEBML_143050	Compound was tested for inhibition of [125I]NKA radioligand binding to NK2 receptor from bovine bladder
50047203	3	ChEMBL_1560169 (CHEMBL3778240)	Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based luminescence assay
50029740	1	ChEBML_154781	Inhibition of pancreatic cholesterol esterase using p-nitrophenylacetate or cholesteryl [1-14C]-oleate as substrates
50029742	1	ChEBML_209941	Inhibitory activity against human platelet microsomal TXA2 synthase
50029744	3	ChEMBL_101739 (CHEMBL709095)	Inhibition of Matrix Metallo Proteinase-1 (MMP-1)
50029745	2	ChEBML_101738	Inhibitory activity against Matrix Metallo Proteinase-1 (MMP-1)
50029746	1	ChEMBL_28510 (CHEMBL642849)	Liver Acyl coenzyme A:cholesterol acyltransferase inhibitory activity was determined in vitro using [1-14C]oleolyl-CoA and microsomes isolated from the livers of cholesterol fed rats
50029746	2	ChEBML_28510	Liver Acyl coenzyme A:cholesterol acyltransferase inhibitory activity was determined in vitro using [1-14C]oleolyl-CoA and microsomes isolated from the livers of cholesterol fed rats
50029747	4	ChEBML_153154	Inhibition of protein kinase C gamma
50047203	4	ChEMBL_1560170 (CHEMBL3778241)	Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based luminescence assay
50029747	3	ChEBML_153134	Inhibition of protein kinase C delta
50029747	6	ChEBML_153151	Inhibition of protein kinase C epsilon
50047204	1	ChEMBL_1560427 (CHEMBL3776088)	Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50047204	2	ChEMBL_1560413 (CHEMBL3776074)	Inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis
50047205	1	ChEMBL_1560434 (CHEMBL3776285)	Inhibition of EGFR-T790M/L858 mutant (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase Glo luminescent kinase assay
50047205	2	ChEMBL_1560433 (CHEMBL3776094)	Inhibition of wildtype EGFR (unknown origin) preincubated for 30 mins followed by addition of 2x ATP-substrate mixture measured after 1 hr by Kinase Glo luminescent kinase assay
50029750	1	ChEBML_144144	Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]PYY as radioligand
50029750	2	ChEMBL_144151 (CHEMBL750766)	Compound was tested for binding affinity against neuropeptide Y2 (NPY2) receptor from rat hippocampi.
50029750	3	ChEBML_144152	Compound was tested for binding affinity against neuropeptide Y2 (NPY2) receptor from rat hippocampi.
50047206	1	ChEMBL_1560695 (CHEMBL3778046)	Inhibition of full length human N-terminal GST-HIS6-tagged Aurora B expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay
50047206	2	ChEMBL_1560696 (CHEMBL3778047)	Inhibition of full length human N-terminal GST-HIS6-tagged Aurora C expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay
50047206	3	ChEMBL_1560698 (CHEMBL3778049)	Inhibition of human MAP3K7 by flashplate based radiometric 33pan-quinase assay
50047206	4	ChEMBL_1560694 (CHEMBL3778045)	Inhibition of human MKNK1 by flashplate based radiometric 33pan-quinase assay
50047206	5	ChEMBL_1560699 (CHEMBL3778050)	Inhibition of full length human N-terminal GST-HIS6-tagged PIM1 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay
50047206	6	ChEMBL_1560700 (CHEMBL3778051)	Inhibition of full length human N-terminal GST-HIS6-tagged PIM3 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay
50047206	7	ChEMBL_1560701 (CHEMBL3778052)	Inhibition of human RIPK5 by flashplate based radiometric 33pan-quinase assay
50047206	8	ChEMBL_1560702 (CHEMBL3778053)	Inhibition of human N-terminal FLAG, C-terminal HIS8-tagged TLK1 expressed in sf9 cells by flashplate based radiometric 33pan-quinase assay
50047207	1	ChEMBL_1561127 (CHEMBL3777062)	Inhibition of full-length rat N-WASP-induced Arp2/3 activation by fluorescence assay
50047208	1	ChEMBL_1561162 (CHEMBL3777355)	Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid scintillation counting analysis
50047208	2	ChEMBL_1561163 (CHEMBL3777356)	Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid scintillation counting analysis
50047209	1	ChEMBL_1560177 (CHEMBL3778248)	Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP
50047209	2	ChEMBL_1560174 (CHEMBL3778245)	Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins in presence of [gamma-32P]ATP
50047209	3	ChEMBL_1560173 (CHEMBL3778244)	Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins in presence of [gamma-32P]ATP
50047209	4	ChEMBL_1560172 (CHEMBL3778243)	Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins in presence of [gamma-32P]ATP
50029755	1	ChEBML_101740	Inhibitory activity against human fibroblast collagenase (MMP-1)
50047209	5	ChEMBL_1560178 (CHEMBL3778249)	Inhibition of PKCbeta (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP
50047209	6	ChEMBL_1560183 (CHEMBL3778422)	Inhibition of STK17A (unknown origin)
50047209	7	ChEMBL_1560186 (CHEMBL3778425)	Inhibition of PIM1 (unknown origin)
50047209	8	ChEMBL_1560189 (CHEMBL3778428)	Inhibition of Haspin (unknown origin)
50047209	9	ChEMBL_1560194 (CHEMBL3778433)	Inhibition of PI3K p110alpha (unknown origin)
50047209	10	ChEMBL_1560197 (CHEMBL3778436)	Inhibition of PI3K p110delta (unknown origin)
50047209	11	ChEMBL_1560200 (CHEMBL3778439)	Inhibition of PI3K p110gamma (unknown origin)
50047209	12	ChEMBL_1560203 (CHEMBL3778442)	Inhibition of human recombinant N-terminal GST-tagged PI3K-gamma (39 to 1102 residues) expressed n baculovirus infected TN5 cells using phosphatidylinositol as substrate by scintillation proximity assay in presence of {33P]gammaATP
50047209	13	ChEMBL_1560176 (CHEMBL3778247)	Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substrate incubated for 15 mins in presence of [gamma-32P]ATP
50047209	14	ChEMBL_1560208 (CHEMBL3778447)	Inhibition of recombinant human GST-tagged CLK3 expressed in baculovirus expression system by lantha screen kinase binding assay
50047209	15	ChEMBL_1560211 (CHEMBL3778450)	Inhibition of full length recombinant human GST-tagged CLK4 expressed in baculovirus expression system by lantha screen kinase binding assay
50047209	16	ChEMBL_1560466 (CHEMBL3776317)	Inhibition of full length recombinant human N-terminal GST-tagged MLCK expressed in baculovirus expression system by lantha screen kinase binding assay
50029759	1	ChEBML_159312	Inhibition of HIV-1 protease.
50029760	1	ChEBML_48940	Tested for inhibition of [3H]cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human Cholesteryl ester transfer protein
50029760	2	ChEMBL_48942 (CHEMBL661656)	Tested for inhibition of [3H]cholesteryl linoleate(CE) transfer from donor HDL to acceptor LDL driven by recombinant human cholesteryl ester transfer protein
50047209	17	ChEMBL_1560500 (CHEMBL3776531)	Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed as reduction in tau-Thr212 phosphorylation incubated overnight by immunofluorescence assay
50029761	2	ChEBML_141123	Compound was tested for its inhibitory activity against Candida albicans N-Myristoyltransferase (NMT)
50029762	1	ChEBML_33958	Compound was tested for the inhibitory activity against alpha-L-fucosidase from bovine epididymis
50029763	1	ChEBML_204900	Compound was tested for its inhibitory potency against rat Steroid 5-alpha-reductase type 1 expressed in transformed yeast Saccharomyces cerevisiae
50047210	1	ChEMBL_1560716 (CHEMBL3778067)	Inhibition of GST-tagged human progesterone receptor LBD domain expressed in insect cells by Gal4-based fluorescence polarization assay
50029765	1	ChEBML_144623	Inhibition of neutral endopeptidase (NEP).
50047210	2	ChEMBL_1560717 (CHEMBL3778068)	Inhibition of GST-tagged human glucocorticoid receptor LBD domain expressed in insect cells at by Gal4-based fluorescence polarization assay
50029766	2	ChEMBL_28534 (CHEMBL875874)	Inhibition of [3H]CHA binding against Adenosine A1 receptors of rat cortical membranes
50047210	3	ChEMBL_1560718 (CHEMBL3778069)	Inhibition of estrogen receptor (unknown origin) by Gal4-based luciferase assay
50029766	5	ChEBML_28535	Inhibition of [3H]-CHA binding against Adenosine A1 receptors of rat cortical membranes; Not tested
50047210	4	ChEMBL_1560507 (CHEMBL3776779)	Inhibition of CYP2C9 (unknown origin)
50029768	1	ChEBML_161583	In vitro inhibition of human recombinant Protein farnesyltransferase
50029768	2	ChEBML_161584	In vitro inhibition of human recombinant Protein farnesyltransferase with respect to FPP
50047210	5	ChEMBL_1560508 (CHEMBL3776780)	Inhibition of CYP3A4 (unknown origin)
50029770	1	ChEBML_144477	Compound was tested for inhibition of rat kidney neutral endopeptidase
50029771	1	ChEBML_33015	Binding affinity against human Alpha-1b adrenergic receptor
50029771	2	ChEBML_32889	Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]HEAT (2-beta-(4-hydroxyphenyl)-ethylaminomethyltetralone)
50029771	3	ChEBML_33015	Binding affinity against human Alpha-1b adrenergic receptor
50029771	4	ChEMBL_32890 (CHEMBL648793)	Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster alpha-1b adrenergic receptor by displacing [125I]HEAT (2-beta-(4-hydroxyphenyl)-ethylaminomethyltetralone)
50029771	5	ChEBML_32893	Binding affinity was determined against Alpha-1a adrenergic receptor
50029773	1	ChEBML_153639	inhibition of [125I]SB 236636 binding to human PPAR gamma receptor
50029774	1	ChEMBL_153640 (CHEMBL762705)	Inhibition of [125I]SB 236636 binding to human PPAR gamma receptor
50029774	2	ChEBML_153641	Inhibition of [125I]SB 236636 binding to human PPAR gamma receptor
50029776	1	ChEBML_45186	In vitro inhibition of cathepsin D.
50029776	2	ChEMBL_45185 (CHEMBL658684)	Compound was evaluated for the inhibition of cathepsin D at concentration of 4.15 microg/mL
50029776	5	ChEMBL_45186 (CHEMBL658685)	In vitro inhibition of cathepsin D.
50029777	1	ChEBML_66289	In vitro competitive binding to FK506 binding protein 12 versus tritiated FK-506.
50047210	6	ChEMBL_1560509 (CHEMBL3776781)	Inhibition of CYP2D6 (unknown origin)
50029779	1	ChEBML_160738	Compound was evaluated for the inhibition of HIV protease
50029779	2	ChEBML_160738	Compound was evaluated for the inhibition of HIV protease
50029780	1	ChEBML_208725	Inhibition of thrombin
50047211	1	ChEMBL_1560760 (CHEMBL3778288)	Inhibition of human notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay
50029782	1	ChEBML_37404	Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]iodocyanopindolol as the radioligand.
50047211	2	ChEMBL_1560761 (CHEMBL3778458)	Inhibition of mouse notum pectinacetylesterase expressed in 293F cells after 30 mins by TCF/LEF cell sensor assay
50029783	1	ChEBML_46993	Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2
50029783	2	ChEBML_46464	Evaluated for binding affinity against recombinant human central cannabinoid receptor 1
50029784	1	ChEBML_159736	Compound was tested in vitro for inhibition of human umbilical cord endothelial cells(ECV-304 cell line) Prostaglandin G/H synthase 2 at 10 uM
50029785	1	ChEBML_143222	Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]cytisine as radioligand in whole rat brain
50029786	1	ChEBML_64372	In vitro inhibition of Endothelin-converting enzyme 1 from rat lungs.
50047212	1	ChEMBL_1560772 (CHEMBL3778469)	Inhibition of ovine COX-1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by fluorescence analysis
50047212	2	ChEMBL_1560770 (CHEMBL3778467)	Inhibition of COX-2 (unknown origin)
50047212	3	ChEMBL_1560773 (CHEMBL3778470)	Inhibition of recombinant human COX-2 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by fluorescence analysis
50047213	1	ChEMBL_1561175 (CHEMBL3777368)	Binding affinity to somatostatin receptor type 5 (unknown origin)
50047213	2	ChEMBL_1561174 (CHEMBL3777367)	Binding affinity to somatostatin receptor type 4 (unknown origin)
50029788	3	ChEMBL_98509 (CHEMBL709171)	Compound was evaluated for inhibitory activity against LTB4 receptor in human neutrophil membranes using [3H]- LTB4 as radioligand
50047213	3	ChEMBL_1561173 (CHEMBL3777366)	Binding affinity to somatostatin receptor type 2 (unknown origin)
50047213	4	ChEMBL_1561012 (CHEMBL3776129)	Binding affinity to somatostatin receptor type 1 (unknown origin)
50047213	5	ChEMBL_1561005 (CHEMBL3776122)	Binding affinity to human ERG by patchXpress functional assay
50047213	6	ChEMBL_1560972 (CHEMBL3779605)	Binding affinity to human ERG
50029790	3	ChEMBL_210404 (CHEMBL814133)	Inhibitory activity against thermolysin expressed as Ki
50029791	2	ChEBML_142896	Inhibitory activity against binding of [125I]Bolton-Hunter SP to tachykinin NK-1 receptor in human lymphoma IM9 cells
50029791	3	ChEMBL_142896 (CHEMBL747306)	Inhibitory activity against binding of [125I]-Bolton-Hunter SP to tachykinin NK-1 receptor in human lymphoma IM9 cells
50047213	7	ChEMBL_1560971 (CHEMBL3779604)	Antagonist activity at human somatostatin receptor type 3 assessed as inhibition of cAMP levels
50029792	4	ChEBML_75196	Compound was evaluated for kappa opioid receptor mediated agonistic effect in electrically stimulated guinea-pig ileum
50029792	6	ChEBML_129573	Compound was evaluated for kappa opioid receptor mediated agonistic effect in mouse vas deferens(MVD) preparations
50029793	1	ChEBML_46992	Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]CP-55940) assay.
50029793	2	ChEBML_46461	Binding affinity against human cannabinoid receptor by using radioligand ([3H]CP-55940) assay.
50029793	4	ChEMBL_46462 (CHEMBL657909)	Compound was evaluated for binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay; first determination
50029794	1	ChEBML_143166	In vitro for inhibition of nucleotide exchange process of oncogenic Ras
50029794	2	ChEMBL_143166 (CHEMBL744343)	In vitro for inhibition of nucleotide exchange process of oncogenic Ras
50029795	10	ChEBML_195815	Compound was tested for binding affinity against retinoic acid receptor using 5 nM of [3H]RA as a radioligand in baculovirus expressed receptor
50047213	8	ChEMBL_1560970 (CHEMBL3779603)	Binding affinity to human somatostatin receptor type 3
50029796	3	ChEBML_215986	In vitro inhibition of biotinylated fibrinogen binding to immobilized integrin alpha IIb beta3
50047214	1	ChEMBL_1561177 (CHEMBL3777370)	Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis
50047214	2	ChEMBL_1561179 (CHEMBL3777372)	Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by Dixon plot analysis
50047214	3	ChEMBL_1561176 (CHEMBL3777369)	Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis
50029798	1	ChEBML_63526	Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation
50029798	2	ChEBML_65463	Binding affinity against human ETA receptor in TE 671(ATCC# HTB 139) cell membrane preparation
50029798	3	ChEMBL_65464 (CHEMBL682104)	Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation
50029798	4	ChEMBL_63525 (CHEMBL677273)	Binding affinity against human ETB receptor in transfected COS 7 cell membrane preparation
50047215	1	ChEMBL_1561200 (CHEMBL3777628)	Inhibition of N-terminal GST-fused His6-tagged human recombinant EphB4
50047166	2	ChEMBL_1561402 (CHEMBL3778962)	Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50047166	5	ChEMBL_1561407 (CHEMBL3778967)	Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation counting analysis
50047166	3	ChEMBL_1561403 (CHEMBL3778963)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis
50029801	1	ChEBML_30813	Inhibitory activity against adenosine deaminase in calf intestinal mucosa.
50029802	1	ChEBML_144431	Compound was evaluated for inhibition of recombinant human neprilysin(NEP).
50029802	2	ChEBML_36017	Compound was measured for the inhibition of Angiotensin I converting enzyme
50029803	1	ChEBML_158781	Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).
50047166	4	ChEMBL_1561408 (CHEMBL3778968)	Antagonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of WIN 55,212-2 mediated suppression of forksolin induced cAMP production by scintillation counting analysis
50029805	2	ChEMBL_218205 (CHEMBL824554)	In vitro binding affinity against human alpha IIb beta-3 integrin
50029806	1	ChEBML_202101	Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay
50029807	1	ChEBML_206266	Competitive inhibition of Subtilisin Carlsberg enzyme from Bacillus lentus
50029809	1	ChEBML_139833	Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes
50029811	2	ChEBML_90135	Compound was tested in vitro for binding affinity against Ionotropic glutamate receptor AMPA, using [3H]TCP as the radioligand.
50029811	13	ChEMBL_218852 (CHEMBL822310)	Compound was tested for its antagonist activity against mGluR 6 receptor in CHO cells.
50029811	14	ChEMBL_218845 (CHEMBL823393)	Compound was tested for its agonist activity against mGluR 2 receptor in CHO cells.
50029811	5	ChEBML_88655	Compound was tested in vitro for binding affinity against Ionotropic glutamate receptor kainate using [3H]kainate as the radioligand.
50029811	8	ChEBML_218849	Compound was tested for its agonist activity against mGluR 5a receptor in CHO cells.
50029811	9	ChEBML_219021	Compound was tested in vitro for binding affinity against mGluR4a metabotropic glutamate receptor, using [3H]L-AP4 as the radioligand.
50029811	10	ChEBML_218860	Compound was tested in vitro for binding affinity against mGluR1a metabotropic glutamate receptor, using [3H]glutamate as the radioligand.
50029812	1	ChEBML_202096	Inhibitory activity against rat hepatic squalene synthase
50029813	9	ChEMBL_215985 (CHEMBL818488)	Biotinylated fibrinogen binding to alpha IIb beta-3 integrin
50029813	7	ChEMBL_214626 (CHEMBL819706)	Inhibition of Vitronectin binding to GPIIb/IIIIa Vitronectin receptor
50029813	10	ChEMBL_215987 (CHEMBL818490)	Inhibition of vWF binding to alphaIIb-beta3 integrin
50029813	6	ChEMBL_70366 (CHEMBL677191)	Inhibition of vWF binding to GPIIb/IIIIa receptor
50047216	1	ChEMBL_1561413 (CHEMBL3778973)	Antagonist activity at CRTH2 receptor in human eosinophils by ESC assay
50047216	2	ChEMBL_1561410 (CHEMBL3778970)	Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter
50047217	1	ChEMBL_1561419 (CHEMBL3779155)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047217	2	ChEMBL_1561420 (CHEMBL3779156)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047217	3	ChEMBL_1561421 (CHEMBL3779157)	Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047217	4	ChEMBL_1561422 (CHEMBL3779158)	Inhibition of cKit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047217	5	ChEMBL_1561423 (CHEMBL3779159)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047217	6	ChEMBL_1561414 (CHEMBL3778974)	Inhibition of cMet (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50029816	1	ChEBML_63677	Compound was tested for binding affinity against Endothelin B receptor
50029816	2	ChEBML_65477	Compound was tested for binding affinity against Endothelin A receptor
50029817	1	ChEMBL_3401 (CHEMBL619647)	Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat brain using [3H]zacopride as the radioligand.
50029817	2	ChEMBL_3408 (CHEMBL620722)	Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]DAIZAC as the radioligand.
50029817	4	ChEBML_3407	Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.
50029818	1	ChEBML_222614	Compound was evaluated for inhibition of human platelet phospholipase A2 (HP-PLA2).
50029819	2	ChEBML_159735	Inhibition of PGE-2 production by arachidonic acid-stimulated CHO cells expressing human Prostaglandin G/H synthase 2
50047218	1	ChEMBL_1561643 (CHEMBL3776858)	Inhibition of recombinant human CYP2C19 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using 3-butyryl-7-methoxycoumarin as substrate by CYPEX assay
50047218	2	ChEMBL_1561635 (CHEMBL3776850)	Antagonist activity at recombinant human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mobilization preincubated for 10 mins followed by acetylcholine addition measured after 1 hr by fluo-4 AM dye-based FLIPR assay
50047218	3	ChEMBL_1561636 (CHEMBL3776851)	Antagonist activity at recombinant human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mobilization preincubated for 10 mins followed by acetylcholine addition measured after 1 hr by fluo-4 AM dye-based FLIPR assay
50047218	4	ChEMBL_1561641 (CHEMBL3776856)	Inhibition of recombinant human CYP1A2 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using ethoxyresorufin as substrate by CYPEX assay
50029822	2	ChEBML_158000	Inhibition of Prostaglandin G/H synthase 2 (COX-2)
50047218	5	ChEMBL_1561644 (CHEMBL3776859)	Inhibition of recombinant human CYP2D6 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using 4-methylaminomethyl-7-methoxycoumarin as substrate by CYPEX assay
50029823	2	ChEMBL_216615 (CHEMBL819187)	Compound was tested for inhibitory activity against alpha-chymotrypsin
50047218	6	ChEMBL_1561645 (CHEMBL3776860)	Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using diethoxyflourescein as substrate by CYPEX assay
50047218	7	ChEMBL_1561630 (CHEMBL3776607)	Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter method
50029827	3	ChEBML_140492	Compound was tested for binding affinity against glycine site of NMDA receptor using [3H]glycine as a radioligand.
50029828	1	ChEBML_159602	Compound was evaluated for inhibitory activity against human Prostaglandin G/H synthase 2
50047218	8	ChEMBL_1561646 (CHEMBL3776861)	Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using 7-benzyloxyquinoline as substrate by CYPEX assay
50047218	9	ChEMBL_1561632 (CHEMBL3776609)	Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay
50029829	1	ChEBML_225479	Concentration necessary to double time for clot formation induced by bovine thrombin
50029829	2	ChEBML_210658	Compound was tested in vitro for inhibition of trypsin
50029829	3	ChEBML_225390	Compound was tested in vitro for inhibition of tissue plasminogen activator
50029829	4	ChEBML_208357	In vitro for inhibition of thrombin.
50029829	5	ChEBML_155601	In vitro for inhibition of plasmin
50029829	6	ChEMBL_207967 (CHEMBL815794)	Compound was tested in vitro for inhibition of thrombin
50029830	1	ChEBML_157739	Inhibitory activity was evaluated against HIV protease
50047218	10	ChEMBL_1561642 (CHEMBL3776857)	Inhibition of recombinant human CYP2C9 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by CYPEX assay
50047218	11	ChEMBL_1561633 (CHEMBL3776848)	Antagonist activity at human dopamine D2L receptor expressed in CHO cells assessed as inhibition of dopamine-mediated Ca+2 stimulation pretreated for 10 mins followed by addition of dopamine by fluo-4 AM dye-based FLIPR assay
50047218	12	ChEMBL_1561634 (CHEMBL3776849)	Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by [35S]GTP-gamma-S binding assay in presence of 3 nM quinelorane
50047218	13	ChEMBL_1561631 (CHEMBL3776608)	Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter method
50029834	1	ChEBML_212504	Inhibition of bovine trypsin
50029834	2	ChEBML_208327	Inhibition of human thrombin
50029836	1	ChEBML_161581	Inhibitory activity against protein farnesyltransferase.
50047218	14	ChEMBL_1561662 (CHEMBL3776877)	Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 mins by CYPEX assay
50029838	5	ChEBML_63678	Compound was tested for inhibition of binding of [125I]ET1 to cloned human Endothelin B receptor expressed in CHO-K1 cells
50029839	1	ChEBML_144909	Binding affinity against NK1 receptor by displacement of [3H]SP from bovine retina membranes
50029841	1	ChEBML_42745	Inhibition of voltage sensitive calcium channel of embryonic chick dorsal root ganglion (DRG) cells
50029842	1	ChEBML_219279	Compound was tested for linear non-competitive inhibitory activity against glutathionylspermidine synthetase.
50047218	15	ChEMBL_1561663 (CHEMBL3776878)	Binding affinity to dopamine D4 receptor (unknown origin)
50047219	1	ChEMBL_1561668 (CHEMBL3776883)	Inhibition of c-Met (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50047220	1	ChEMBL_1562114 (CHEMBL3779656)	Inhibition of porcine brain tubulin polymerization after 1 hr by fluorescence assay
50047221	1	ChEBML_1562791	Inhibition of Pim1 kinase (unknown origin) using substrate S3 after 50 mins by HTRF assay
50047202	2	ChEMBL_1561530 (CHEMBL3776167)	Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry
50047222	1	ChEMBL_1561740 (CHEMBL3777412)	Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP
50048410	1	ChEBML_60537	Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3H]spiperone.
50047222	2	ChEMBL_1561737 (CHEMBL3777409)	Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP
50029848	1	ChEBML_208898	Compound was evaluated for the inhibitory activity against thrombin.
50029850	2	ChEBML_35287	Compound was evaluated for inhibition of 125I[Sar1,Ile8] aII binding to rat midbrain membrane preparation Angiotensin II receptor, type 2
50029851	1	ChEBML_158626	Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate
50029852	1	ChEBML_102081	Inhibition of stromelysin-1 (MMP-3)
50029852	2	ChEBML_101916	Inhibition of gelatinase-A (MMP-2)
50029852	3	ChEMBL_101939 (CHEMBL710568)	Inhibition of stromelysin-1 (MMP-3).
50029852	4	ChEBML_101736	Inhibition of collagenase-1 (MMP-1).
50029852	5	ChEMBL_101916 (CHEMBL710546)	Inhibition of gelatinase-A (MMP-2)
50029852	6	ChEMBL_102081 (CHEMBL715980)	Inhibition of stromelysin-1 (MMP-3)
50029853	1	ChEBML_101755	Inhibition of matrix metalloprotease -1.
50029853	2	ChEBML_101920	Inhibition of MMP-2.
50029853	3	ChEBML_102083	Inhibition of matrix metalloprotease -3
50029853	4	ChEMBL_101919 (CHEMBL710549)	Inhibition of matrix metalloprotease-2
50029853	5	ChEMBL_101754 (CHEMBL709110)	Inhibition of matrix metalloprotease -1
50029853	6	ChEMBL_102083 (CHEMBL715982)	Inhibition of matrix metalloprotease -3
50047222	3	ChEMBL_1561754 (CHEMBL3777660)	Inhibition of CDK9 (unknown origin)
50047222	4	ChEMBL_1561753 (CHEMBL3777659)	Inhibition of CDK7 (unknown origin)
50047222	5	ChEMBL_1561546 (CHEMBL3776183)	Inhibition of CDK4 (unknown origin)
50047222	6	ChEMBL_1561738 (CHEMBL3777410)	Inhibition of CDK1 (unknown origin)
50047223	1	ChEMBL_1562017 (CHEMBL3779191)	Displacement of dye-labeled ATP competitive probe from recombinant human CDK8/Cyclin C incubated for 20 mins by Alexa647 probe-based FRET assay
50047223	2	ChEMBL_1562015 (CHEMBL3779189)	Inhibition of CDK8 (unknown origin) expressed in 7dF3 clone of human HEK293 cells preincubated for 2 hrs followed by addition of beta-estradiol by luciferase assay
50047223	3	ChEMBL_1559655 (CHEMBL3779069)	Inhibition of human ERG
50047223	4	ChEMBL_1559659 (CHEMBL3779073)	Inhibition of 5HT2A (unknown origin)
50047223	5	ChEMBL_1562265 (CHEMBL3776910)	Inhibition of PASK (unknown origin)
50047223	6	ChEMBL_1562263 (CHEMBL3776908)	Inhibition of CDK8-dependent WNT signalling in human LS174T cells in absence of WNT ligand
50047223	7	ChEMBL_1559660 (CHEMBL3779074)	Inhibition of CDK8-dependent WNT signalling in human LS174T cells in presence of WNT3a ligand
50047223	8	ChEMBL_1559661 (CHEMBL3779075)	Inhibition of CDK8-mediated STAT1 phosphorylation at serine727 in human SW620 cells harboring APC mutant
50029855	1	ChEMBL_161279 (CHEMBL878782)	Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma
50029855	2	ChEBML_161130	Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta
50029855	3	ChEBML_161279	Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma
50029856	1	ChEBML_30918	Inhibition of A2a agonist [3H]-CGS- 21680 binding to rat striatal membranes
50029856	2	ChEBML_28844	Inhibition of A1 agonist (R)-[3H]N 6-(phenylisopropyl) adenosine binding to membranes from rat whole brain
50029857	1	ChEBML_101940	Inhibitory activity against Matrix metalloprotease-3
50029858	1	ChEBML_195891	Compound was evaluated for inhibitory activity against human FKBP-12 rotamase
50029859	1	ChEBML_152798	Kinetic constant for inhibition of peptidylglycine alpha hydroxylating monooxygenase (PHM) was determined
50029860	1	ChEBML_1530	Inhibition of specific [3H]OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat hippocampal membranes
50029861	2	ChEBML_159295	Compound was evaluated for the inhibition of HIV protease
50029863	1	ChEMBL_159618 (CHEMBL760099)	Inhibitory activity against HIV-1 protease in spectrofluorimetric assay
50029863	2	ChEBML_159618	Inhibitory activity against HIV-1 protease in spectrofluorimetric assay
50029864	1	ChEBML_201961	Inhibitory activity against squalene synthase (SQS) obtained from HepG2 cells
50029865	1	ChEBML_54278	Binding affinity against Recombinant human dihydrofolate reductase (DHFR)
50029865	2	ChEMBL_209648 (CHEMBL811589)	Binding affinity against Recombinant human thymidylate synthase (TS).
50029865	3	ChEBML_209647	Binding affinity against Recombinant human thymidylate synthase (TS)
50029866	1	ChEMBL_202906 (CHEMBL807657)	Inhibitory activity against type-2 human steroid 5-alpha-reductase.
50029866	2	ChEMBL_202903 (CHEMBL807655)	Inhibitory activity against type-1 human steroid 5-alpha-reductase.
50047223	9	ChEMBL_1562026 (CHEMBL3779200)	Binding affinity to CDK8/Cyclin C (unknown origin) by reporter displacement assay
50029868	1	ChEBML_148016	Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells
50029868	2	ChEBML_199691	Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells
50029868	3	ChEMBL_148016 (CHEMBL751612)	Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells
50029868	4	ChEMBL_199691 (CHEMBL802920)	Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells
50029871	8	ChEMBL_216813 (CHEMBL816392)	Compound was evaluated for inhibition of alpha-fucosidase from bovine kidney(sigma F 5884).
50047221	2	ChEMBL_1562791 (CHEMBL3776676)	Inhibition of Pim1 kinase (unknown origin) using substrate S3 after 50 mins by HTRF assay
50047224	1	ChEMBL_1559772 (CHEMBL3779725)	Displacement of [3H]AF-DX384 from human recombinant muscarinic M2 receptor expressed in CHO cells
50047224	2	ChEMBL_1559771 (CHEMBL3779724)	Displacement of [3H]pirenzepine from human recombinant muscarinic M1 receptor expressed in CHO cells
50047224	3	ChEMBL_1559770 (CHEMBL3779723)	Displacement of [125I]2-iodomelatonin from human recombinant ML1A receptor expressed in CHO cells
50047224	4	ChEMBL_1559769 (CHEMBL3779722)	Displacement of [125I]NDP-alpha-MSH from human recombinant MC4 receptor expressed in CHO cells
50047224	5	ChEMBL_1559768 (CHEMBL3779721)	Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells
50047224	6	ChEMBL_1559767 (CHEMBL3779720)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells
50047224	7	ChEMBL_1559765 (CHEMBL3779718)	Displacement of [125I]Endothelin-1 from human recombinant Endothelin-B receptor expressed in CHO cells
50047224	8	ChEMBL_1559764 (CHEMBL3779717)	Displacement of [125I]Endothelin-1 from human recombinant Endothelin-1 receptor expressed in CHO cells
50047224	9	ChEMBL_1559763 (CHEMBL3779716)	Displacement of [3H]SCH23390 from human recombinant Dopamine D5 receptor expressed in GH4 cells
50047224	10	ChEMBL_1559762 (CHEMBL3779715)	Displacement of [3H]methylspiperone from human recombinant Dopamine D4.4 receptor expressed in CHO cells
50047224	11	ChEMBL_1559761 (CHEMBL3779714)	Displacement of [3H]methylspiperone from human recombinant Dopamine D3 receptor expressed in CHO cells
50047224	12	ChEMBL_1559760 (CHEMBL3779713)	Displacement of [3H]methylspiperone from human recombinant Dopamine D2S receptor expressed in HEK293 cells
50047224	13	ChEMBL_1559759 (CHEMBL3779712)	Displacement of [3H]SCH23390 from human recombinant Dopamine D1 receptor expressed in CHO cells
50047224	14	ChEMBL_1559758 (CHEMBL3779711)	Displacement of [125I]CCK-8s from human recombinant CCK-B receptor expressed in CHO cells
50047224	15	ChEMBL_1559757 (CHEMBL3779710)	Displacement of [125I]CCK-8s from human recombinant CCK-A receptor expressed in CHO cells
50047224	16	ChEMBL_1559756 (CHEMBL3779536)	Displacement of [3H]CP 55940 from human recombinant CB1 receptor expressed in CHO cells
50047224	17	ChEMBL_1559755 (CHEMBL3779535)	Displacement of [3H]bradykinin from human recombinant B2 bradykinin receptor
50047224	18	ChEMBL_1559753 (CHEMBL3779533)	Displacement of [3H]PK 11195 from rat heart Peripheral-type benzodiazepine receptor
50047224	19	ChEMBL_1559751 (CHEMBL3779531)	Displacement of [125I]CGP42112A from human recombinant AT2 receptor expressed in HEK293 cells
50047224	20	ChEMBL_1559750 (CHEMBL3779530)	Displacement of [125I][Sar, Ile]-ATII from human recombinant AT1 receptor expressed in HEK293 cells
50047224	21	ChEMBL_1559749 (CHEMBL3779529)	Displacement of [3H](-)CGP12177 from human recombinant Beta-2 adrenergic receptor expressed in CHO cells
50047224	22	ChEMBL_1559748 (CHEMBL3779528)	Displacement of [3H](-)CGP12177 from human recombinant Beta-1 adrenergic receptor expressed in HEK293 cells
50047224	23	ChEMBL_1559745 (CHEMBL3779525)	Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in HEK293 cells
50047224	24	ChEMBL_1559744 (CHEMBL3779524)	Displacement of [3H]CGS 21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells
50047224	25	ChEMBL_1559743 (CHEMBL3779523)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells
50047224	26	ChEMBL_1559992 (CHEMBL3777270)	Displacement of [3H]imipramine from human recombinant 5-HT transporter expressed in CHO cells
50029875	1	ChEBML_160741	Inhibitory activity against P2 site in HIV protease.
50029876	1	ChEBML_157722	Inhibitory activity against HIV protease was determined
50029876	2	ChEBML_45152	Inhibitory activity against human cathepsin D was determined
50047224	27	ChEMBL_1559991 (CHEMBL3777269)	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells
50047224	28	ChEMBL_1559990 (CHEMBL3777268)	Displacement of [3H]nisoxentine from human recombinant norepinephrine transporter expressed in CHO cells
50047224	29	ChEMBL_1559987 (CHEMBL3777023)	Displacement of [125I]apamin from rat cerebral cortex small conductance calcium-activated potassium channel
50047224	30	ChEMBL_1559803 (CHEMBL3776016)	Displacement of [3H]AVP from human recombinant arginine vasopressin receptor 1a expressed in CHO cells
50047224	31	ChEMBL_1559802 (CHEMBL3776015)	Displacement of [125I]VIP from human recombinant VIP1 receptor expressed in CHO cells
50047224	32	ChEMBL_1559801 (CHEMBL3776014)	Displacement of [3H]dexamethasone from glucocorticoid receptor in human IM9 cells
50047224	33	ChEMBL_1559800 (CHEMBL3779753)	Displacement of [125I]Tyr11-somatostatin-14 from somatostatin receptor in mouse AtT20 cells
50029878	1	ChEBML_142875	Binding affinity was determined against human NK2 receptor in CHO cells using [125I]neurokinin A as radioligand
50029879	1	ChEBML_64369	Compound was evaluated for inhibition of Endothelin-converting enzyme 1 partially purified from porcine primary aortic endothelial cells
50029880	1	ChEBML_100209	Compound was tested for inhibition of monoamine oxidase-B (MAO-B).
50029880	2	ChEBML_29400	Inhibition of acetylcholinesterase.
50029880	3	ChEBML_100063	Compound was tested for inhibition of monoamine oxidase-A (MAO-A).
50047224	34	ChEMBL_1559798 (CHEMBL3779751)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells
50047224	35	ChEMBL_1559797 (CHEMBL3779750)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO cells
50029881	3	ChEMBL_209800 (CHEMBL815666)	Compound was evaluated for the inhibition of Thymidylate synthase.
50047224	36	ChEMBL_1559796 (CHEMBL3779749)	Displacement of [3H]LSD from human recombinant 5-HT5A receptor expressed in HEK293 cells
50029882	1	ChEBML_208414	Compound was tested in vitro for inhibition of topoisomerase I.
50047224	37	ChEMBL_1559795 (CHEMBL3779748)	Displacement of [3H]BRL43694 from human recombinant 5-HT3 receptor expressed in CHO cells
50029883	4	ChEBML_212693	Compound was evaluated for inhibitory activity against Trypsin.
50047224	38	ChEMBL_1559794 (CHEMBL3779747)	Displacement of [3H]mesuleregine from human recombinant 5-HT2C receptor expressed in HEK293 cells
50047224	39	ChEMBL_1559793 (CHEMBL3779746)	Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells
50047224	40	ChEMBL_1559792 (CHEMBL3779745)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEK293 cells
50047224	41	ChEMBL_1559791 (CHEMBL3779744)	Displacement of [125I]CYP from rat cerebral cortex 5-HT1B receptor in the presence of isoproternol
50047224	42	ChEMBL_1559790 (CHEMBL3779743)	Displacement of [3H]8-OHDPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells
50047224	43	ChEMBL_1559787 (CHEMBL3779740)	Displacement of [3H]iloprost from human recombinant Prostanoid IP receptor expressed in HEK293 cells
50047224	44	ChEMBL_1559786 (CHEMBL3779739)	Displacement of [3H]PGE2 from human recombinant prostanoid EP2 receptor expressed in HEK293 cells
50047224	45	ChEMBL_1559784 (CHEMBL3779737)	Displacement of [3H]rosiglitazone from human recombinant PPARgamma receptor expressed in Escherichia coli
50047224	46	ChEMBL_1559783 (CHEMBL3779736)	Displacement of [3H]nociceptin from human recombinant Nociceptin receptor expressed in HEK293 cells
50047224	47	ChEMBL_1559782 (CHEMBL3779735)	Displacement of [3H]DAMGO from human recombinant Mu-type opioid receptor expressed in CHO cells
50047224	48	ChEMBL_1559781 (CHEMBL3779734)	Displacement of [3H]U 69593 from rat recombinant kappa-type opioid receptor expressed in CHO cells
50047224	49	ChEMBL_1559779 (CHEMBL3779732)	Displacement of [125I]Tyr3-neurotensin from human recombinant NT1 receptor expressed in CHO cells
50047224	50	ChEMBL_1559778 (CHEMBL3779731)	Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells
50047224	51	ChEMBL_1559777 (CHEMBL3779730)	Displacement of [125I]NKA from human recombinant NK2 receptor expressed in CHO cells
50047224	52	ChEMBL_1559776 (CHEMBL3779729)	Displacement of [125I]BH-SP from NK1 receptor in human U373MG cells
50047224	53	ChEMBL_1559775 (CHEMBL3779728)	Displacement of [3H]4-DAMP from human recombinant muscarinic M5 receptor expressed in CHO cells
50047224	54	ChEMBL_1559774 (CHEMBL3779727)	Displacement of [3H]4-DAMP from human recombinant muscarinic M4 receptor expressed in CHO cells
50047224	55	ChEMBL_1559773 (CHEMBL3779726)	Displacement of [3H]4-DAMP from human recombinant muscarinic M3 receptor expressed in CHO cells
50047225	1	ChEMBL_1560267 (CHEMBL3778904)	Displacement of NO 711 from mouse GAT1 expressed in HEK293 cell membranes after 40 mins by LC-ESI-MS-MS-based MS binding assay
50029883	10	ChEBML_40178	Compound was evaluated for inhibitory activity against C1s serine protease. 
50029883	7	ChEMBL_40168 (CHEMBL655963)	Compound was evaluated for inhibitory activity against C1r serine protease. 
50047225	2	ChEMBL_1560269 (CHEMBL3778906)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition measured after 4 mins by liquid scintillation counting analysis
50029883	11	ChEBML_207955	Compound was evaluated for inhibitory activity against Thrombin.
50029883	12	ChEBML_155056	Compound was evaluated for inhibitory activity against plasmin.
50029883	5	ChEMBL_40169 (CHEMBL655964)	Compound was evaluated for inhibitory activity against C1r serine protease in assay 1
50029884	1	ChEBML_841	Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonin 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes
50029884	3	ChEMBL_841 (CHEMBL615840)	Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonin 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes
50029884	4	ChEBML_62406	Compound was evaluated for binding affinity against Dopamine receptor D2 using [3H]raclopride as a radioligand
50047225	3	ChEMBL_1560271 (CHEMBL3778908)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition measured after 10 mins by liquid scintillation counting analysis
50029884	5	ChEBML_2649	Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand
50047225	4	ChEMBL_1560273 (CHEMBL3778910)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition measured after 4 mins by liquid scintillation counting analysis
50047225	5	ChEMBL_1560275 (CHEMBL3778912)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition measured after 4 mins by liquid scintillation counting analysis
50047226	1	ChEBML_1560520	Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate
50047188	2	ChEMBL_1565337 (CHEMBL3782731)	Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-incubated with 30 mM fructose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone
50047188	3	ChEMBL_1565338 (CHEMBL3782732)	Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as ATP production co-incubated with 300 mM glucose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone
50029887	1	ChEBML_160737	In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM
50029888	1	ChEBML_159269	Inhibition of Prostaglandin G/H synthase 1 using whole cell assay
50029888	2	ChEBML_157856	Inhibition of Prostaglandin G/H synthase 2
50029889	1	ChEBML_157857	In vitro inhibition of Prostaglandin G/H synthase 2
50029889	2	ChEBML_159270	In vitro inhibition of Prostaglandin G/H synthase 1
50047188	4	ChEMBL_1565336 (CHEMBL3782730)	Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in presence of oxidative phosphorylation inhibitor rotenone
50029892	1	ChEBML_63514	Binding activity against Endothelin B receptor expressed from bovine cerebellum membrane preparation
50029892	2	ChEBML_65330	Binding activity against Endothelin A receptor expressed from bovine lung membrane preparation
50029894	1	ChEMBL_79473 (CHEMBL691403)	Binding affinity to HIV-protease
50029894	2	ChEBML_79473	Binding affinity to HIV-protease
50029895	1	ChEBML_102093	Inhibition of matrix metalloprotease-3 (MMP-3).
50029895	2	ChEBML_101928	Inhibition of matrix metalloprotease-2 (MMP-2)
50029895	3	ChEBML_101764	Inhibition of matrix metalloprotease-1 (MMP-1)
50029897	1	ChEBML_82429	Inhibitory activity against human sputum elastase (HSE)
50029898	1	ChEBML_210838	Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver
50029899	1	ChEBML_205196	Apparent inhibitory activity against rat prostatic Steroid 5-alpha-reductase type I
50029902	4	ChEMBL_71961 (CHEMBL686126)	Inhibitory activity against recombinant human Geranylgeranyl transferase type I
50029902	2	ChEBML_70603	Inhibition of recombinant human farnesyl protein transferase
50029902	3	ChEBML_70718	Kinetic parameter for inhibition of farnesyl protein transferase
50029903	1	ChEBML_48928	Inhibition of Cholesteryl ester transfer protein
50029904	1	ChEBML_35284	Inhibition of [125I]-Sar1-Ile8-Ang II binding to rat midbrain Angiotensin II receptor type 2
50029906	1	ChEBML_143057	Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA
50029906	5	ChEMBL_142884 (CHEMBL747158)	Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP
50029907	1	ChEBML_144622	Compound was tested for inhibition of neutral endopeptidase (NEP).
50029910	5	ChEBML_161146	Inhibition of Protein kinase C gamma
50029910	6	ChEBML_152992	Inhibition of protein kinase C delta
50029910	18	ChEMBL_152941 (CHEMBL757141)	Inhibition of cAMP-dependent protein kinase (PKA)
50029910	13	ChEMBL_160766 (CHEMBL766307)	Inhibition of Protein kinase C delta
50029910	14	ChEMBL_160956 (CHEMBL769118)	Inhibition of Protein kinase C epsilon
50029910	15	ChEBML_160956	Inhibition of Protein kinase C epsilon
50029910	17	ChEMBL_161742 (CHEMBL769032)	Inhibition of cAMP-dependent protein kinase (Protein kinase A)
50047227	1	ChEMBL_1565351 (CHEMBL3782745)	Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay
50029913	1	ChEBML_65492	Inhibitory concentration to the endothelin A receptor expressed in LtK cells
50029913	2	ChEBML_63537	Compound was evaluated for binding affinity against human Endothelin B receptor
50029913	4	ChEMBL_63537 (CHEMBL677450)	Compound was evaluated for binding affinity against human Endothelin B receptor
50029913	5	ChEMBL_63186 (CHEMBL679789)	Compound was evaluated for binding affinity against rabbit Endothelin A receptor
50029914	1	ChEBML_89344	Compound was tested in vitro for inhibitory activity against inducible nitric oxide synthase
50029914	2	ChEBML_143507	Compound was tested in vitro for inhibitory activity against nNOS (constitutive isoform found in neurons)
50047228	1	ChEMBL_1565358 (CHEMBL3782752)	Inhibition of diphenolase activity of mushroom tyrosinase preincubated for 10 mins followed by addition of L-DOPA measured for 5 mins by spectrophotometry
50047228	2	ChEMBL_1565359 (CHEMBL3782753)	Noncompetitive inhibition of diphenolase activity of mushroom tyrosinase preincubated for 10 mins followed by addition of L-DOPA measured for 5 mins by Lineweaver-Burk plot analysis
50047229	1	ChEMBL_1565565 (CHEMBL3782234)	Displacement of [125I]-SRIF14 from human sst4 receptor
50047229	2	ChEMBL_1565564 (CHEMBL3782233)	Binding affinity to human sst4 receptor
50047229	3	ChEMBL_1565563 (CHEMBL3782232)	Binding affinity to human sst2 receptor
50047229	4	ChEMBL_1565562 (CHEMBL3782231)	Binding affinity to sst4 receptor (unknown origin)
50047229	5	ChEMBL_1565561 (CHEMBL3782230)	Binding affinity to sst2 receptor (unknown origin)
50047229	6	ChEMBL_1565560 (CHEMBL3782229)	Displacement of [125I]tyr11-SRIF from human sst4 receptor after 60 mins by liquid scintillation counting method
50047229	7	ChEMBL_1565559 (CHEMBL3782228)	Displacement of [125I]tyr11-SRIF from human sst2 receptor after 60 mins by liquid scintillation counting method
50047230	1	ChEMBL_1565578 (CHEMBL3782247)	Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membrane
50047230	2	ChEMBL_1565704 (CHEMBL3782470)	Antagonist activity at CXCR4 expressed in human U373-MAGI cells assessed as inhibition of HIV1 gp120-induced cell-cell fusion between HIV1 NL4-3 envelope expressing HEK293T cells to CXCR4 expressing human U373-MAGI cells incubated for 6 hrs by luciferase reporter gene assay
50047231	1	ChEMBL_1565722 (CHEMBL3782520)	Competitive inhibition of human MAOB overexpressed in Pichia pastoris using MMTP as substrate preincubated for 5 mins followed by substrate addition by UV/vis spectrophotometric analysis
50047231	2	ChEMBL_1565721 (CHEMBL3782487)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cell microsomes using MMTP as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric analysis
50047232	1	ChEMBL_1565728 (CHEMBL3782526)	Antagonist activity at PPARalpha (unknown origin) expressed in HEK293A cells assessed as inhibition of GW7647-induced transactivation after 16 to 18 hrs by luciferase reporter assay
50029916	15	ChEMBL_38572 (CHEMBL652074)	In vitro binding affinity of compound against neuronal Beta adrenergic receptor
50029916	4	ChEBML_60499	In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1
50047233	1	ChEBML_1565736	Inhibition of human KDM6A preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047233	2	ChEBML_1565735	Inhibition of human PHF8 preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50029916	9	ChEBML_60237	In vitro binding affinity of compound against neuronal Dopamine receptor D2
50029916	10	ChEBML_84431	In vitro binding affinity of compound against histamine H1 neuronal receptor
50047233	3	ChEBML_1565734	Inhibition of human KDM2B preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047233	4	ChEBML_1565733	Inhibition of human KDM4C preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047226	2	ChEBML_1560521	Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer
50047226	3	ChEMBL_1560520 (CHEMBL3776792)	Inhibition of gelatinase A (unknown origin) after 30 mins using succinylated gelatin as substrate
50047226	4	ChEMBL_1560521 (CHEMBL3776793)	Inhibition of porcine microsomal aminopeptidase N preincubated for 30 mins using L-Leu-p-nitroanilide as substrate by UV-VIS spectrophotometer
50029918	4	ChEBML_51703	In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cells transfected with human cyclooxygenase-2
50029918	7	ChEMBL_51680 (CHEMBL884355)	In vitro inhibition of the production of PGE-2 in arachidonic acid stimulated chinese hamster ovary (CHO) cells transfected with human cyclooxygenase-1
50047234	1	ChEMBL_1560531 (CHEMBL3776803)	Inhibition of [3H]-5-HT reuptake in human SERT transfected into HEK293 cells by liquid scintillation counting method
50047234	2	ChEMBL_1560532 (CHEMBL3776804)	Inhibition of [3H]-NE reuptake in human NET transfected into HEK293 cells by liquid scintillation counting method
50029920	2	ChEBML_212514	In vitro inhibition against bovine trypsin was determined
50029921	1	ChEBML_200081	Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cultured rat sympathetic neurons
50047233	6	ChEBML_1565733	Inhibition of human KDM4C preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047167	5	ChEMBL_1564755 (CHEMBL3784262)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method
50047167	4	ChEMBL_1564757 (CHEMBL3784264)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's method
50029923	5	ChEBML_155366	Inhibition of Phosphodiesterase 5
50047235	1	ChEMBL_1564779 (CHEMBL3784286)	Inhibition of NLRP3 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP
50047235	2	ChEMBL_1564781 (CHEMBL3784288)	Reversible inhibition of NLRP3 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP
50047235	3	ChEMBL_1564782 (CHEMBL3784289)	Irreversible inhibition of GSTO 1-1 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP
50047235	4	ChEMBL_1564783 (CHEMBL3784290)	Inhibition of NLRP3 in mouse BMDM cells preincubated for 30 mins followed by ATP addition by ELISA analysis
50047235	5	ChEMBL_1564786 (CHEMBL3784389)	Inhibition of NLRP3 in LPS stimulated human THP1 cells assessed as reduction in IL1beta release after 2 hrs by ELISA analysis
50047235	6	ChEMBL_1564787 (CHEMBL3784390)	Inhibition of NLRP3 in LPS stimulated mouse BMDM cells after 15 mins followed by addition of ATP by ELISA analysis
50047235	7	ChEMBL_1564794 (CHEMBL3784397)	Inhibition of caspase-1 in LPS stimulated human PMBC cells after 2 hrs by ELISA analysis
50047235	8	ChEMBL_1564788 (CHEMBL3784391)	Inhibition of TLR4 in LPS/INFgamma stimulated mouse peritoneal macrophages assessed as inhibition of IL1-beta after 20 hrs by ELISA analysis
50047235	9	ChEMBL_1564790 (CHEMBL3784393)	Inhibition of NLRP3 in mouse J774 macrophages assessed as reduction in Bacillus anthracis lethal toxin induced cell death
50047235	10	ChEMBL_1564791 (CHEMBL3784394)	Binding affinity to pannexin 1 channel (unknown origin)
50047236	1	ChEMBL_1564915 (CHEMBL3782872)	Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release preincubated for 15 mins followed by substrate addition measured for 12 mins by fluorescence-based microplate reader analysis
50047236	2	ChEMBL_1564916 (CHEMBL3782873)	Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay
50047236	3	ChEMBL_1564917 (CHEMBL3782874)	Inhibition of human recombinant MAOB expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay
50029926	1	ChEBML_63052	Displacement of [3H]spiperone from Dopamine receptor D2 of rat corpora striata synaptic membranes
50029926	2	ChEBML_61157	Displacement of [3H]YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells
50047236	4	ChEMBL_1564918 (CHEMBL3782875)	Inhibition of KDM1B (unknown origin)
50029928	1	ChEBML_90985	Reversible inhibition of recombinant human IL-1 beta converting enzyme.
50029929	3	ChEMBL_70269 (CHEMBL681408)	Inhibition of the Farnesyltransferase catalyzed incorporation of [3H]FPP into recombinant Ha-Ras by 50% in bovine brain at a concentration of ca. 1 nM.
50029929	4	ChEMBL_71808 (CHEMBL683492)	Inhibition of Geranylgeranyl transferase type I, an enzyme that recognizes CaaX sequences containing leucine as the terminal residue.
50029930	1	ChEBML_222787	Inhibitory concentration against plasmin.
50029930	2	ChEBML_225796	Inhibitory concentration against trypsin.
50029930	3	ChEBML_225569	Inhibitory concentration against thrombin(FIIa).
50029931	1	ChEBML_79984	Inhibitory activity against HIV-1 protease
50029932	1	ChEBML_58931	Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement.
50029932	2	ChEBML_58457	Binding affinity against cloned human D2 receptor transfected in CHO-K1 cells using [3H]- spiperone as radioligand.
50029932	3	ChEBML_58774	Binding affinity against cloned human D3 receptor transfected in CHO-K1 cells using [3H]- spiperone as radioligand.
50029933	2	ChEBML_213258	Inhibition of bovine lung phosphodiesterase 5
50029933	4	ChEBML_213119	Inhibition of phosphodiesterase 2
50047237	1	ChEMBL_1564948 (CHEMBL3783009)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs
50047237	2	ChEMBL_1564949 (CHEMBL3783010)	Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis
50047237	3	ChEMBL_1564944 (CHEMBL3782901)	Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method
50047237	4	ChEMBL_1564945 (CHEMBL3783006)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50047237	5	ChEMBL_1564946 (CHEMBL3783007)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50047237	6	ChEMBL_1564947 (CHEMBL3783008)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs
50047233	8	ChEMBL_1565733 (CHEMBL3782531)	Inhibition of human KDM4C preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047233	7	ChEMBL_1565737 (CHEMBL3782535)	Inhibition of human KDM5B preincubated for 10 mins followed by substrate addition by AlphaLISA assay
50047238	1	ChEMBL_1565738 (CHEMBL3782536)	Displacement of biotin-PEG2- SGRGKacGGKacGLGKacGGAKacRHPvK-COOH from BRD4 (unknown origin) after 1.5 hrs by acetyl-histone binding based Alphascreen assay
50047238	4	ChEMBL_1565739 (CHEMBL3782537)	Binding affinity to BRD4 (unknown origin) by isothermal titration calorimetric assay
50047194	8	ChEBML_1564079	Inhibition of human urokinase assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	12	ChEMBL_1564075 (CHEMBL3783216)	Inhibition of human plasma kallikrein assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047255	8	ChEBML_1563974	Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Caliper Mobility Shift Assay
50047255	3	ChEBML_1563965	Inhibition of JAK2 (unknown origin)
50047256	6	ChEBML_1565743	Binding affinity to N-terminal His6-tagged human CBX1 (20 to 73 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047255	1	ChEBML_1563974	Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Caliper Mobility Shift Assay
50047256	10	ChEMBL_1565744 (CHEMBL3782542)	Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047256	1	ChEBML_1565748	Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay
50047256	2	ChEBML_1565745	Binding affinity to N-terminal His6-tagged human CBX4 (8 to 65 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047256	3	ChEBML_1565744	Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047257	1	ChEMBL_1569661 (CHEMBL3791134)	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 60 mins by Alphascreen assay
50047257	2	ChEBML_1569661	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 60 mins by Alphascreen assay
50047257	32	ChEBML_1569649	Binding affinity to BRPF3 (unknown origin) by isothermal titration calorimetric analysis
50047257	7	ChEBML_1569639	Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis
50047169	27	ChEMBL_1565263 (CHEMBL3782657)	Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substrate incubated for 2 hrs by alphascreen assay
50047257	5	ChEMBL_1569666 (CHEMBL3791139)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 (57 to 168 residues) incubated for 1 hr by TR-FRET assay
50047257	6	ChEMBL_1569669 (CHEMBL3791142)	Binding affinity to His-tagged BRD4 bromodomain1 (unknown origin) incubated for 1 hr in presence of Europium Cryptate-labeled streptavidin by TR-FRET assay
50047258	1	ChEBML_1568316	Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated for 60 mins by HTRF assay
50047258	5	ChEMBL_1568316 (CHEMBL3788750)	Inhibition of recombinant MET (unknown origin) using gastrin peptide as substrate preincubated for 30 mins followed by substrate addition incubated for 60 mins by HTRF assay
50047194	13	ChEMBL_1564074 (CHEMBL3783215)	Inhibition of human coagulation trypsin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	15	ChEBML_1564076	Inhibition of human activated protein C assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	16	ChEBML_1564079	Inhibition of human urokinase assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	17	ChEBML_1564077	Inhibition of human plasmin assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	14	ChEBML_1564078	Inhibition of human TPA assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50029942	1	ChEBML_201293	Binding affinity at sigma receptor by [3H](+)-SKF-10047 displacement.
50029942	2	ChEBML_58474	Binding affinity at dopamine D2 receptor in rat striatum by [3H]spiperone displacement.
50029942	3	ChEBML_58299	Binding affinity at dopamine D1 receptor in rat striatum by [3H]SCH-22390 displacement.
50029943	1	ChEBML_208130	Inhibitory concentration required to inhibit human thrombin enzyme was determined
50029943	2	ChEBML_212714	Inhibitory concentration required to inhibit human trypsin enzyme was determined
50029943	3	ChEBML_155079	Inhibitory concentration required to inhibit human plasmin enzyme was determined
50029943	4	ChEBML_69658	Inhibitory concentration required to inhibit human factor Xa enzyme was determined
50029943	5	ChEBML_208055	Inhibitory concentration required to inhibit human Tissue type plasminogen activator was determined
50029944	1	ChEBML_45612	Inhibitory concentration required to inhibit carboxypeptidase A (CPA, bovine, Type I) was evaluated
50029945	3	ChEBML_213205	Selective inhibition of thrombin in several in vitro and in vivo models of thrombosis
50029946	4	ChEBML_37403	Ability to bind to human Beta-1 adrenergic receptor using membranes of stably transfected CHO cells
50047169	31	ChEMBL_1565267 (CHEMBL3782661)	Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50029948	1	ChEBML_210656	Inhibition of trypsin
50029948	2	ChEBML_208719	Inhibition of thrombin
50029949	1	ChEBML_1434	Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus
50029949	2	ChEBML_2673	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex
50029950	1	ChEBML_31798	Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyceraldehyde as the substrate
50029951	2	ChEMBL_158619 (CHEMBL765765)	Concentration required for inhibition of 50% of the cleavage of para-nitroanilide from MeO-Suc-Arg-Pro-Tyr-pNA.HCl by Prostate specific antigen PSA
50029952	1	ChEBML_157480	Inhibitory activity against rat brain Prolyl endopeptidase (PEP)
50029953	1	ChEBML_65329	Binding activity to ET-A receptor on bovine lung membrane was determined
50029953	2	ChEBML_63513	Binding activity to ET-B receptor on bovine cerebellum membrane
50029954	2	ChEBML_158648	Inhibitory concentration for peptidolytic activity against herpes simplex type-1 (HSV-1) protease at 10 uM.
50029955	1	ChEMBL_104713 (CHEMBL709526)	Inhibition of Matrix metalloprotease-3 by MCA peptide assay
50029955	2	ChEBML_104747	Inhibition of Matrix metalloprotease-3 by MCA peptide assay
50029956	1	ChEBML_89335	Inhibitory constant for the inhibition of human Inducible nitric oxide synthase
50029956	2	ChEBML_143378	Inhibitory constant for the inhibition of human Neuronal nitric oxide synthase
50029956	3	ChEBML_65319	Inhibitory constant for the inhibition of human Endothelial nitric oxide synthase
50047169	28	ChEMBL_1565425 (CHEMBL3782819)	Inhibition of human His-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by FRET assay
50029958	1	ChEBML_66431	Inhibition of binding to FKBP12 receptor
50047169	30	ChEMBL_1565427 (CHEMBL3782821)	Inhibition of human His-tagged BRD3 bromodomain 2 using biotin-H4K5acK8acK12acK16ac as substrate incubated for 30 mins by alphascreen assay
50047169	32	ChEMBL_1565424 (CHEMBL3782818)	Inhibition of human His-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using biotin-H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by alphascreen assay
50047169	29	ChEMBL_1565426 (CHEMBL3782820)	Inhibition of human His-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by FRET assay
50047242	1	ChEMBL_1565586 (CHEMBL3782255)	Binding affinity to menin (unknown origin)
50047243	1	ChEMBL_1565592 (CHEMBL3782261)	Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by luminescence assay
50029963	1	ChEBML_105348	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of marmoset plasma renin, Expressed as IC50
50029963	2	ChEBML_44980	Inhibitory activity against cathepsin D (bovine), expressed as IC50
50047243	2	ChEMBL_1565589 (CHEMBL3782258)	Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay
50029963	6	ChEBML_196304	In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of rat plasma renin, Expressed as IC50
50029963	7	ChEBML_153982	In vitro inhibitory effect was evaluated against pepsin, Expressed as IC50
50029963	8	ChEBML_36900	Inhibitory activity against ACE human, expressed as IC50
50029964	1	ChEBML_63867	Inhibition of [125I]ET1 binding to porcine kidney inner medulla membranes
50029964	2	ChEBML_63359	Inhibition of [125I]ET1 binding to rat aorta membranes(ETA)
50029965	2	ChEBML_31459	Inhibitory activity of compound against modified enzyme form of S-glutathionyl Aldose reductase
50029969	8	ChEMBL_32407 (CHEMBL872271)	In vitro ability to displace Alpha-1 adrenergic receptor binding to rat cerebral cortex in competition experiments against [3H]prazosin at 15mg/kg, expressed as Ki.
50029969	9	ChEMBL_32408 (CHEMBL648043)	In vitro ability to displace Alpha-1 adrenergic receptor binding to rat cerebral cortex in competition experiments against [3H]-prazosin at 1 mg/kg, expressed as Ki.
50029967	1	ChEBML_37417	Compound tested for inhibitory activity against beta-glucocerebrosidase enzyme
50029967	2	ChEBML_71696	Compound tested for inhibitory activity against glucosylceramide synthase enzyme
50029968	1	ChEBML_208820	Binding affinity towards Tachykinin receptor 1, activity expressed as Kd
50047243	3	ChEMBL_1565590 (CHEMBL3782259)	Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay
50029969	1	ChEBML_58487	In vitro ability to displace Dopamine D2 receptor binding to rat striatal membranes in competition experiments against 3H-spiperone, expressed as Ki
50029969	2	ChEMBL_201040 (CHEMBL803266)	In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral cortex in competition experiments against [3H]8-(hydroxy)dipropyl aminotetralin at 15 mg/kg concentration
50029969	3	ChEMBL_201043 (CHEMBL803914)	In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral cortex in competition experiments against [3H]8-(hydroxy)dipropyl aminotetralin at 15 mg/kg concentration
50029969	4	ChEMBL_201039 (CHEMBL803265)	In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral cortex in competition experiments against [3H]8-(hydroxy)dipropyl aminotetralin at 1 mg/kg concentration
50029969	7	ChEBML_201039	In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral cortex in competition experiments against [3H]8-(hydroxy)dipropyl aminotetralin at 1 mg/kg concentration
50047244	1	ChEMBL_1563160 (CHEMBL3783898)	Agonist activity at human CB2 receptor expressed in CHO cells after 30 mins by [35S]-GTPgammaS binding assay relative to control
50047244	2	ChEMBL_1563157 (CHEMBL3783895)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer
50047244	3	ChEMBL_1563156 (CHEMBL3783894)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer
50047244	4	ChEMBL_1563025 (CHEMBL3783507)	Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI EC50 after 5 mins by xCELLigence assay (Rvb = 1.6 to 4.1 nM)
50047244	5	ChEMBL_1563022 (CHEMBL3783504)	Agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay
50047244	6	ChEMBL_1563021 (CHEMBL3783503)	Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay
50047245	1	ChEMBL_1563166 (CHEMBL3783995)	Inhibition of full length recombinant human ABL1 expressed in Baculovirus expression system
50047245	2	ChEMBL_1563167 (CHEMBL3783996)	Inhibition of GST-tagged human DDR1 (440 to 876 residues) expressed in Baculovirus expression system
50047245	3	ChEMBL_1563168 (CHEMBL3783997)	Inhibition of recombinant human GST-tagged DDR2 expressed in Baculovirus expression system
50047245	4	ChEMBL_1563169 (CHEMBL3783998)	Inhibition of His-tagged recombinant human c-Kit without catalytic domain expressed in mammalian expression system
50047245	5	ChEMBL_1563170 (CHEMBL3783999)	Inhibition of full length recombinant GST-tagged human p38-alpha expressed in Escherichia coli
50047245	6	ChEMBL_1563171 (CHEMBL3784000)	Inhibition of full length recombinant human C-terminal His-tagged SRC expressed in Baculovirus expression system
50047245	7	ChEMBL_1563357 (CHEMBL3784715)	Binding affinity to P38-alpha (unknown origin)
50047245	8	ChEMBL_1563358 (CHEMBL3784716)	Binding affinity to SRC (unknown origin)
50047246	1	ChEMBL_1563502 (CHEMBL3783187)	Inhibition of human recombinant p38 gamma assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addition measured after 1 hr by Z-LYTE assay
50047246	2	ChEMBL_1563501 (CHEMBL3783186)	Inhibition of HCK (unknown origin) preincubated for 2 hrs followed by FRET peptide addition measured after 1 hr by Z-LYTE assay
50047246	3	ChEMBL_1563504 (CHEMBL3783189)	Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addition measured after 1 hr by Z-LYTE assay
50029976	1	ChEBML_152757	Concentration required for its inhibitory activity against VHR phosphatase
50029977	1	ChEBML_166	Inhibition of 1,3-beta-glucan synthase
50029978	1	ChEBML_142893	Concentration required for 50% inhibition of neurokinin-1 receptor
50029978	2	ChEBML_49402	Concentration required for 50% inhibition of cholecystokinin A(CCK A)
50029979	1	ChEBML_65481	In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETA receptor
50029979	2	ChEBML_63682	In vitro binding affinity in a radioligand binding experiment by competition with [125I]-labeled endothelin-1 for ETB receptor
50029980	6	ChEMBL_49455 (CHEMBL656928)	Inhibitory concentration against human chymotrypsin
50029980	4	ChEMBL_63794 (CHEMBL679047)	Inhibitory concentration against human leukocyte elastase (HLE)
50047247	1	ChEMBL_1563720 (CHEMBL3783931)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counting method
50029980	5	ChEBML_96631	Inhibitory concentration against human leukocyte elastase (HLE)
50029981	1	ChEBML_161601	Inhibition of autophosphorylation of HER-2 expressed in NIH3T3 cell lines
50029982	1	ChEBML_159763	In vitro inhibitory concentration against human Prostaglandin G/H synthase 2
50047248	1	ChEMBL_1563722 (CHEMBL3783933)	Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of NADPH
50029984	1	ChEBML_79793	The compound was evaluated for its inhibition constant against HIV-1 protease (HIV PR)
50029985	2	ChEBML_3469	Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor
50029985	4	ChEBML_30084	Compound was tested for inhibitory activity against adrenergic alpha-1 receptor
50029985	16	ChEMBL_201190 (CHEMBL801209)	Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay
50029985	6	ChEBML_208674	Compound was tested for inhibitory activity against Tachykinin receptor 1
50029985	7	ChEMBL_61111 (CHEMBL672301)	Compound was selective with respect to binding at the Dopamine receptor D2
50029985	9	ChEBML_140145	Compound was tested for inhibitory activity against Muscarinic acetylcholine receptor
50029985	10	ChEBML_61111	Compound was selective with respect to binding at the Dopamine receptor D2
50029985	11	ChEBML_58311	Compound was tested for inhibitory activity against Dopamine D1 receptor
50029985	12	ChEBML_30086	Compound was tested for inhibitory activity against adrenergic alpha-2 receptor
50029986	1	ChEBML_39930	Tested for inhibitory activity against CD-45 tyrosine phosphatase of Jurkat cell membrane at 1000 uM
50029986	2	ChEBML_158625	Compound was tested for its inhibitory activity against human prostatic acid phosphatase
50029986	3	ChEMBL_39930 (CHEMBL856085)	Tested for inhibitory activity against CD-45 tyrosine phosphatase of Jurkat cell membrane at 1000 uM
50029987	1	ChEBML_105098	Binding affinity against human Melatonin receptor type 1A by displacement of [125I]iodomelatonin stably expressed in CHO cells
50029987	2	ChEBML_105262	Binding affinity against human Melatonin receptor type 1B by displacement of [125I]iodomelatonin stably expressed in CHO cells
50029988	1	ChEBML_91011	Inhibition of IL-1 beta converting enzyme
50047248	2	ChEMBL_1563723 (CHEMBL3783934)	Inhibition of CYP1A2 (unknown origin)
50047248	3	ChEMBL_1563721 (CHEMBL3783932)	Inhibition of CYP17A1 in human adrenal microsomes using [3H]-pregnenolone as substrate incubated for 90 mins by scintillation proximity assay in presence of NADPH
50047248	4	ChEMBL_1563728 (CHEMBL3784029)	Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of NADPH
50047248	5	ChEMBL_1563729 (CHEMBL3784030)	Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of NADPH
50047248	6	ChEMBL_1563733 (CHEMBL3784034)	Inhibition of CYP21A2 in human H295R cells using hydroxy progesterone as substrate incubated for 120 mins by LC-MS method
50029990	1	ChEBML_58779	Displacement of [3H]spiperone from human dopamine receptor subtype hD3 expressed in CHO cells
50029990	2	ChEBML_58934	Displacement of [3H]spiperone from human dopamine receptor subtype hD4 expressed in HEK293 cells
50029990	3	ChEBML_58462	Displacement of [3H]spiperone from human dopamine D2 receptor in CHO cells
50047248	7	ChEMBL_1563734 (CHEMBL3784035)	Inhibition of CYP11B1 in human H295R cells using deoxycorticosterone as substrate incubated for 48 hrs by LC-MS method
50047249	1	ChEMBL_1563757 (CHEMBL3784058)	Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay
50047249	2	ChEMBL_1563756 (CHEMBL3784057)	Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay
50047250	1	ChEMBL_1563764 (CHEMBL3784184)	Inhibition of PI4Kbeta (unknown origin)
50047250	2	ChEMBL_1563940 (CHEMBL3784756)	Inhibition of PI3Kdelta (unknown origin)
50047250	3	ChEMBL_1563939 (CHEMBL3784755)	Inhibition of PI3Kgamma (unknown origin)
50047250	4	ChEMBL_1563938 (CHEMBL3784754)	Inhibition of PI3Kbeta (unknown origin)
50047250	5	ChEMBL_1563767 (CHEMBL3784187)	Inhibition of PI3Kalpha (unknown origin)
50047250	6	ChEMBL_1563765 (CHEMBL3784185)	Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as substrate incubated for 10 mins by luminescence based ATP detection assay
50047250	7	ChEMBL_1563766 (CHEMBL3784186)	Inhibition of VPS34 in human U2OS cells incubated for 2 hrs by GFP-FYVE reporter gene assay
50047259	2	ChEMBL_1567859 (CHEMBL3789254)	Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells
50047259	1	ChEBML_1567859	Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells
50047254	2	ChEBML_1565898	Inhibition of MAPK1 (unknown origin) in presence of [gamma33P]ATP
50047254	61	ChEBML_1570071	Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 stimulation measured after 10 mins by quantitative Western blot analysis
50047261	1	ChEBML_1567918	Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH
50047194	9	ChEMBL_1564078 (CHEMBL3783219)	Inhibition of human TPA assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047194	18	ChEMBL_1564079 (CHEMBL3783220)	Inhibition of human urokinase assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis
50047262	1	ChEMBL_1567108 (CHEMBL3787865)	Inhibition of N-terminal 6His-tagged human recombinant c-MET expressed in baculovirus infected Sf21 cells using poly Ala-Glu-Lys-Tyr (6:2:5:1) as substrate after 3 hrs by scintillation counting in presence of [33P]-ATP
50047262	2	ChEBML_1567106	Inhibition of recombinant c-MET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50047263	1	ChEMBL_1571428 (CHEMBL3796659)	Competitive inhibition of human wild type CK2alpha by Dixon plot analysis
50047263	2	ChEMBL_1571427 (CHEMBL3796658)	Inhibition of human wild type CK2alpha
50047252	1	ChEMBL_1567595 (CHEMBL3791544)	Agonist activity at estrogen receptor in human MCF7 cells assessed as ERE-mediated transcriptional activity after 24 hrs by luciferase assay
50047263	3	ChEMBL_1571429 (CHEMBL3796660)	Inhibition of CK2alpha (unknown origin)
50047265	1	ChEBML_1572020	Agonist activity at mouse TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay
50047265	2	ChEBML_1572015	Agonist activity at FXR (unknown origin)
50047265	3	ChEBML_1572016	Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay
50047266	1	ChEBML_1570460	Inhibition of Pim1 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047267	1	ChEMBL_1572217 (CHEMBL3795663)	Inhibition of bovine tubulin polymerization after 1 hr by fluorescence spectrometry
50047268	1	ChEBML_1572538	Inhibition of human recombinant MMP9 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis
50047268	2	ChEBML_1572537	Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis
50047269	1	ChEMBL_1570604 (CHEMBL3794972)	Agonist activity at human EP2 receptor expressed in CHO cells assessed as cAMP level by HTRF assay
50029998	2	ChEBML_205639	Inhibition of human stromelysin-1, MMP-3
50029999	1	ChEBML_201429	Inhibition of [3H]pentazocine binding to Sigma opioid receptor type 1
50047269	2	ChEMBL_1570606 (CHEMBL3794974)	Agonist activity at human EP2 receptor expressed in HEK293 cells after 24 hrs beta-arrestin recruitment assay
50047269	3	ChEMBL_1570608 (CHEMBL3794976)	Agonist activity at human EP1 receptor expressed in CHO cells assessed as intracellular Ca2+ level by fluorescence analysis
50047269	4	ChEMBL_1570609 (CHEMBL3794977)	Agonist activity at human EP3 receptor expressed in CHO cells assessed as intracellular Ca2+ level by fluorescence analysis
50047269	5	ChEMBL_1570610 (CHEMBL3794978)	Agonist activity at human EP4 receptor expressed in CHO cells assessed as cAMP level by HTRF assay
50047269	6	ChEMBL_1570611 (CHEMBL3794979)	Agonist activity at human IP receptor expressed in CHO cells assessed as cAMP level by HTRF assay
50047269	7	ChEMBL_1570612 (CHEMBL3794980)	Agonist activity at human FP receptor expressed in Chem-1 cells assessed as intracellular Ca2+ level by fluorescence analysis
50047270	1	ChEMBL_1570617 (CHEMBL3794985)	Inhibition of human ERG
50047271	1	ChEMBL_1570713 (CHEMBL3795081)	Inhibition of His-tagged human HDAC11 expressed in Sf9 cells using Ac-Arg-Gly-Lys(Ac)-AMC as substrate by fluorometric assay
50047272	1	ChEMBL_1570735 (CHEMBL3795103)	Inhibition of CYP1A2 (unknown origin)
50047272	2	ChEMBL_1570736 (CHEMBL3795104)	Inhibition of CYP2B6 (unknown origin)
50047272	3	ChEMBL_1570737 (CHEMBL3795105)	Inhibition of CYP2C8 (unknown origin)
50047272	4	ChEMBL_1570738 (CHEMBL3795106)	Inhibition of CYP2C9 (unknown origin)
50047272	5	ChEMBL_1570739 (CHEMBL3795107)	Inhibition of CYP2C19 (unknown origin)
50047272	6	ChEMBL_1570740 (CHEMBL3795108)	Inhibition of CYP2D6 (unknown origin)
50047272	7	ChEMBL_1570741 (CHEMBL3795109)	Inhibition of CYP3A4 (unknown origin)
50047272	8	ChEMBL_1570718 (CHEMBL3795086)	Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
50047272	9	ChEMBL_1570717 (CHEMBL3795085)	Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
50047273	1	ChEMBL_1571067 (CHEMBL3794853)	Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50030001	10	ChEMBL_217650 (CHEMBL820185)	Binding affinity towards cRAR-beta-2 receptor by displacing 1.1 nM 3[H]-9-cis-RA
50030001	2	ChEBML_196016	Binding affinity towards human Retinoic acid receptor gamma
50030001	3	ChEMBL_197243 (CHEMBL803365)	Binding affinity towards Retinoic acid receptor RXR-gamma
50030001	4	ChEBML_195161	Binding affinity towards human Retinoic acid receptor alpha
50030001	5	ChEMBL_197244 (CHEMBL803366)	Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA
50047273	2	ChEMBL_1571068 (CHEMBL3794854)	Inhibition of recombinant human HDAC1 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay
50047273	3	ChEMBL_1571061 (CHEMBL3794847)	Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay
50030001	9	ChEBML_197244	Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA
50047273	4	ChEMBL_1571057 (CHEMBL3794843)	Inhibition of HDAC in human HeLa cells using fluor de Lys as substrate incubated for 20 mins by microplate spectrofluorometric analysis
50047273	5	ChEMBL_1571049 (CHEMBL3794810)	Inhibition of HDAC in human HeLa cells using Boc-acetyl-lysine-AMC as substrate incubated for 24 hrs by fluorometric assay
50047273	6	ChEMBL_1571085 (CHEMBL3794871)	Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate
50047273	7	ChEMBL_1571084 (CHEMBL3794870)	Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate
50047273	8	ChEMBL_1571083 (CHEMBL3794869)	Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(Ac)-AMC as substrate by fluorescence assay
50047273	9	ChEMBL_1571082 (CHEMBL3794868)	Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047273	10	ChEMBL_1571078 (CHEMBL3794864)	Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay
50047273	11	ChEMBL_1571081 (CHEMBL3794867)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate incubated for 90 mins by fluorescence assay
50047273	12	ChEMBL_1571080 (CHEMBL3794866)	Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay
50047273	13	ChEMBL_1571079 (CHEMBL3794865)	Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubated for 60 mins by fluorescence assay
50047273	14	ChEMBL_1571077 (CHEMBL3794863)	Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047273	15	ChEMBL_1571087 (CHEMBL3794900)	Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047274	1	ChEMBL_1571376 (CHEMBL3796494)	Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay
50030006	15	ChEMBL_196322 (CHEMBL806265)	Binding affinity for Retinoic acid receptor gamma
50030006	4	ChEBML_195466	Binding affinity for Retinoic acid receptor alpha
50030006	16	ChEMBL_195797 (CHEMBL802568)	Transactivation potency for Retinoic acid receptor beta
50047275	1	ChEMBL_1571406 (CHEMBL3796602)	Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay
50030006	17	ChEMBL_195321 (CHEMBL799876)	Binding affinity for Retinoic acid receptor alpha
50030006	3	ChEMBL_195835 (CHEMBL799134)	Binding affinity for Retinoic acid receptor beta
50030006	10	ChEMBL_195833 (CHEMBL799132)	Transactivation potency for Retinoic acid receptor beta
50030007	1	ChEBML_197412	Inhibition of [3H]ATRA binding to retinoic acid receptor RAR alpha
50030007	7	ChEMBL_35147 (CHEMBL648510)	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR gamma
50047276	1	ChEMBL_1571809 (CHEMBL3795991)	Inhibition of bovine tubulin polymerization preincubated for 30 mins followed by GTP addition measured after 20 mins by spectrophotometric method
50047277	1	ChEMBL_1571934 (CHEMBL3796326)	Displacement of [3H]-SCH-23390 from human recombinant dopamine D1 receptor expressed in CHO cells
50047277	2	ChEMBL_1571915 (CHEMBL3796307)	Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells
50047277	3	ChEMBL_1571935 (CHEMBL3796327)	Displacement of [3H]-Spiperone from human recombinant dopamine D2L receptor expressed in CHO cells
50047277	4	ChEMBL_1571936 (CHEMBL3796328)	Displacement of [3H]-Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells
50047277	5	ChEMBL_1571937 (CHEMBL3796395)	Displacement of [3H]-Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells
50030007	13	ChEMBL_41856 (CHEMBL650724)	Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta
50047277	6	ChEMBL_1571938 (CHEMBL3796396)	Displacement of [3H]-SCH-23390 from human recombinant dopamine D5 receptor expressed in CHO cells
50030007	14	ChEMBL_197071 (CHEMBL806660)	Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta
50030007	12	ChEBML_195495	Inhibition of [3H]ATRA binding to retinoic acid receptor RAR beta
50030008	1	ChEBML_58465	Binding affinity at cloned human D2 dopamine receptor in CHO cells using [3H]-YM 09151 as radioligand
50030008	2	ChEBML_58781	Binding affinity at cloned human D3 dopamine receptor in CHO cells using [3H]-YM 09151 as radioligand
50030008	6	ChEMBL_58793 (CHEMBL667035)	Inhibition of 333 nM dopamine stimulated GTP binding in CHO cells expressing human D4 receptor
50030010	1	ChEBML_105103	Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells
50030010	2	ChEBML_105267	Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cells
50030010	3	ChEMBL_105267 (CHEMBL713139)	Compound was tested for binding affinity against human Melatonin receptor type 1B in CHO cells
50010336	209	ChEBML_1970796	Inhibition of recombinant full length human His-tagged RPS6KA1 expressed in baculovirus expression system using tyrosine-06 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	183	ChEMBL_1970751 (CHEMBL4603569)	Inhibition of recombinant human GST-tagged PDGFRalpha cytoplasmic domain (550 to 1089 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	246	ChEBML_1970764	Inhibition of recombinant full length GST-tagged human PIM2 expressed in baculovirus expression system using Ser/Thr 07 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	276	ChEBML_1970415	Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50010336	189	ChEBML_1970759	Inhibition of recombinant full length human N-terminal GST-tagged PI4KA expressed in baculovirus expression system using PI lipid as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	268	ChEBML_1970804	Inhibition of recombinant human GST-tagged SGK3 catalytic domain (87 to 496 residues) expressed in baculovirus expression system using serine/threonine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	35	ChEMBL_1970478 (CHEMBL4603296)	Inhibition of recombinant full length human His-tagged ABL1 G250E mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	234	ChEBML_1970777	Inhibition of recombinant full length human His-tagged PRKCH expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	272	ChEBML_1970808	Inhibition of recombinant full length human SRCN1 expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	242	ChEBML_1970760	Inhibition of recombinant full length human GST-tagged PI4KB expressed in baculovirus expression system using PI lipid as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	201	ChEBML_1970746	Inhibition of recombinant full length human GST-tagged PAK2 expressed in baculovirus expression system using serine/threonine-20 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	255	ChEBML_1970823	Inhibition of recombinant human GST-tagged TXK catalytic domain (260 to 527 residues) expressed in baculovirus expression system using tyrosine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	229	ChEBML_1970774	Inhibition of recombinant full length human GST-tagged PRKCD expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	192	ChEBML_1970741	Inhibition of recombinant human His-tagged NTRK1 cytoplasmic domain expressed in baculovirus expression system using FRET-labeled tyr 07 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	186	ChEBML_1970755	Inhibition of recombinant human His-tagged PDGFRbeta cytoplasmic domain expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	206	ChEBML_1970736	Inhibition of recombinant full length human His-tagged NEK2 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	226	ChEBML_1970786	Inhibition of recombinant full length human GST-tagged PTK2 expressed in baculovirus expression system using tyr07 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	2	ChEMBL_1970419 (CHEMBL4603237)	Inhibition of PI3K delta in human whole blood assessed as inhibition of anti-IgE-stimulated CysLt release in basophils preincubated for 30 mins followed by anti-IgE stimulation and measured after 20 mins
50010336	96	ChEMBL_1970648 (CHEMBL4603466)	Inhibition of human recombinant GST-tagged EGFR L858R/T790M mutant expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	4	ChEBML_1970443	Inhibition of Cav1.2 (unknown origin)
50010336	5	ChEBML_1970440	Inhibition of Nav1.5 (unknown origin)
50010336	6	ChEBML_1970441	Inhibition of PXR (unknown origin)
50010336	7	ChEBML_1970444	Inhibition of CYP3A4 (unknown origin)
50010336	8	ChEBML_1970445	Inhibition of CYP2C9 (unknown origin)
50010336	9	ChEBML_1970446	Inhibition of CYP2D6 (unknown origin)
50010336	238	ChEBML_1970770	Inhibition of recombinant human His-tagged PRKACA catalytic domain expressed in Escherichia coli using fluorophore-labeled serine/threonine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	11	ChEBML_1970502	Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2:PS lipid as substrate in presence of ATP after 1 hr by Adapta assay
50010336	12	ChEBML_1970501	Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using PIP2:PS lipid as substrate incubated for 1 hr in presence of ATP by Adapta assay
50010336	13	ChEMBL_1970500 (CHEMBL4603318)	Inhibition of recombinant full length N-terminal GST-tagged human JNK3 expressed in baculovirus expression system using Ser/Thr-04 peptide as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	14	ChEBML_1970499	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using tyrosine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	15	ChEBML_1970498	Inhibition of recombinant full length human GST-tagged SPHK1 expressed in baculovirus expression system using sphingosine lipid as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	16	ChEBML_1970497	Inhibition of recombinant human full length AURKA expressed in baculovirus expression system using Ser/Thr-01 peptide as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	17	ChEBML_1970496	Inhibition of recombinant His-tagged human full length MAPKAPK3 expressed in baculovirus expression system using Ser/Thr-04 peptide as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	18	ChEBML_1970495	Inhibition of recombinant full length human C-terminal His-tagged FGR expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	19	ChEBML_1970494	Inhibition of recombinant human MINK1 catalytic domain expressed in baculovirus expression system using Ser/Thr 07 peptide as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	20	ChEBML_1970493	Inhibition of recombinant full length GST-tagged human GSK3alpha expressed in baculovirus expression system using Ser/Thr 09 peptide as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	21	ChEBML_1970492	Inhibition of recombinant GST-tagged human MAP4K4 catalytic domain expressed in baculovirus expression system using Ser/Thr 07 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50030012	1	ChEBML_48295	The compound was tested in vitro for inhibitory activity against Coagulation factor II
50030012	2	ChEBML_212716	The compound was tested in vitro for inhibitory activity against human trypsin
50030012	3	ChEBML_48644	The compound was tested in vitro for inhibitory activity against Coagulation factor X
50030013	1	ChEBML_201929	Inhibition of Squalene Synthase
50030013	2	ChEBML_162610	Inhibition of Farnesyl Transferase
50047278	1	ChEBML_1571954	Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric method
50047256	11	ChEMBL_1565746 (CHEMBL3782544)	Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047257	39	ChEBML_1569640	Binding affinity to CERC2 (unknown origin) by isothermal titration calorimetric analysis
50047257	16	ChEBML_1569631	Inhibition of CBP (unknown origin) by alphascreen assay
50047258	3	ChEBML_1568323	Inhibition of CYP3A4 (unknown origin) in absence of NADPH
50047256	13	ChEMBL_1565742 (CHEMBL3782540)	Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047256	12	ChEBML_1565747	Binding affinity to N-terminal His6-tagged human CBX8 (8 to 61 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe by fluorescence polarization assay
50047256	16	ChEBML_1565749	Binding affinity to N-terminal His6-tagged human CBX7 (8 to 62 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay
50047257	40	ChEBML_1569639	Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis
50047257	65	ChEBML_1569648	Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis
50047257	66	ChEBML_1569647	Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetric analysis
50047257	67	ChEMBL_1569664 (CHEMBL3791137)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 (1 to 477 residues) expressed in Escherichia coli incubated for 1 hr by TR-FRET assay
50030015	1	ChEBML_101744	Inhibition of purified human lung fibroblast collagenase
50047257	42	ChEBML_1569661	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 60 mins by Alphascreen assay
50047257	108	ChEMBL_1569655 (CHEMBL3791128)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 after 75 mins by Alphascreen assay
50030017	1	ChEBML_147997	Inhibitory activity against P-selectin was determined
50030018	1	ChEBML_154360	Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human Peroxisome proliferator activated receptor gamma (PPAR gamma) ligand binding domain
50030018	2	ChEMBL_154360 (CHEMBL756622)	Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human Peroxisome proliferator activated receptor gamma (PPAR gamma) ligand binding domain
50030019	1	ChEBML_47429	Equilibrium dissociation constant for the inhibition of human cathepsin B was determined
50030019	2	ChEBML_139009	Equilibrium dissociation constant for the inhibition of human Mu-calpain was determined
50047254	128	ChEMBL_1570071 (CHEMBL3789673)	Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 stimulation measured after 10 mins by quantitative Western blot analysis
50047254	126	ChEBML_1565881	Inhibition of FGFR2 (unknown origin) in presence of [gamma33P]ATP
50047261	2	ChEBML_1567918	Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH
50047261	4	ChEMBL_1567918 (CHEMBL3789540)	Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH
50047279	1	ChEBML_1568746	Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay
50030022	2	ChEBML_142720	Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.
50047262	3	ChEBML_1567106	Inhibition of recombinant c-MET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50047280	1	ChEBML_1571859	Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate
50047256	17	ChEMBL_1565750 (CHEMBL3782548)	Binding affinity to human CBX7 V13A mutant expressed in Escherichia coli BL21 by surface plasmon resonance assay
50047256	18	ChEMBL_1565748 (CHEMBL3782546)	Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay
50030023	12	ChEBML_155511	Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP).
50030023	7	ChEBML_218215	Inhibition of fibrinogen binding to purified human alpha IIb beta-3 integrin by 50% in an ELISA test
50030023	9	ChEBML_155510	Inhibition of ADP induced platelet aggregation in human platelet-rich plasma (PRP)
50030023	10	ChEBML_218225	Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 1% bovine serum albumin (BSA)
50030023	8	ChEBML_218226	Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 4.5% bovine serum albumin (BSA)
50030023	11	ChEBML_218224	Inhibition of fibrinogen binding to purified Human alphaIIb-beta3 integrin in ELISA with 0.1% bovine serum albumin (BSA)
50030024	1	ChEBML_70566	Inhibition of Farnesyltransferase
50047258	2	ChEMBL_1568318 (CHEMBL3788752)	Inhibition of HGF-mediated MET autophosphorylation in human PC3 cells preincubated for 1 hr followed by stimulation with human HGF measured after 10 mins by electrochemiluminescence immunoassay
50030025	1	ChEBML_159701	Binding affinity determined by ability to displace [3H]R5020 radioligand using uterine progesterone receptor obtained from estrogen-primed rabbit
50030026	1	ChEMBL_69444 (CHEMBL680969)	Inhibition of peptide EPQ (pY) EEIPI binding to Fyn protein kinase SH2 domain at 100 uM (no inhibition)
50030026	2	ChEBML_69443	Inhibition of peptide EPQ (pY) EEIPI binding to Fyn protein kinase SH2 domain
50047258	4	ChEMBL_1568323 (CHEMBL3788757)	Inhibition of CYP3A4 (unknown origin) in absence of NADPH
50047258	9	ChEBML_1568323	Inhibition of CYP3A4 (unknown origin) in absence of NADPH
50047258	10	ChEMBL_1568322 (CHEMBL3788756)	Inhibition of CYP3A4 (unknown origin) in presence of NADPH
50047254	159	ChEBML_1565911	Inhibition of PLK1 (unknown origin) in presence of [gamma33P]ATP
50047254	138	ChEBML_1565866	Inhibition of ALK (unknown origin) in presence of [gamma33P]ATP
50047254	190	ChEMBL_1565898 (CHEMBL3790002)	Inhibition of MAPK1 (unknown origin) in presence of [gamma33P]ATP
50047255	22	ChEBML_1563979	Inhibition of recombinant human EGFR T790M/L858R double mutant by mass spectrometric analysis
50047255	20	ChEBML_1563976	Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 1 hr followed by EGF stimulation for 8 mins by electrochemiluminescent immunoassay
50030028	1	ChEMBL_29079 (CHEMBL636453)	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0026-0.031
50030028	2	ChEMBL_29082 (CHEMBL636820)	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.084-0.19
50030028	3	ChEMBL_29084 (CHEMBL636822)	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 3.3-4.8
50030028	4	ChEMBL_41417 (CHEMBL654398)	In vitro inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.15-0.22
50030028	5	ChEMBL_41416 (CHEMBL654237)	In vitro inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.023-0.041
50030028	6	ChEMBL_41418 (CHEMBL654399)	In vitro inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.69-1.2
50030028	7	ChEMBL_29081 (CHEMBL636455)	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.024-0.14
50030028	8	ChEMBL_29080 (CHEMBL636454)	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.014-0.14
50030028	9	ChEMBL_41414 (CHEMBL654235)	In vitro inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.00029-0.001
50030028	10	ChEBML_41416	In vitro inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.023-0.041
50030028	11	ChEBML_29083	Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 21-88
50030029	2	ChEBML_47824	Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes
50030029	10	ChEMBL_47823 (CHEMBL662565)	Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type B receptor of guinea pig cerebral cortical membranes
50047281	1	ChEBML_1565752	Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50030029	3	ChEBML_50047	Inhibition of [125I]Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes
50047257	91	ChEMBL_1569628 (CHEMBL3790854)	Binding affinity to CERC2 (unknown origin) by alphascreen assay
50047257	114	ChEBML_1569651	Binding affinity to BPTF (unknown origin) by isothermal titration calorimetric analysis
50047260	5	ChEMBL_1567868 (CHEMBL3789263)	Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins by HPLC analysis in presence of rat P450 reductase
50047260	6	ChEMBL_1567869 (CHEMBL3789264)	Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addition measured after 1 min by HPLC analysis in presence of rat P450 reductase
50030031	1	ChEBML_66904	Inhibition of the epidermal growth factor receptor.
50030031	7	ChEBML_158502	Inhibition of the platelet-derived growth factor receptor.
50030031	4	ChEBML_160778	Inhibition of protein kinase C delta.
50030031	5	ChEBML_216987	Inhibition of c-Src-tyrosine kinase.
50030031	6	ChEBML_226180	Inhibition of v-Abl tyrosine kinase.
50030031	8	ChEBML_161903	Inhibition of protein kinase A.
50030031	9	ChEMBL_161903 (CHEMBL767982)	Inhibition of protein kinase A.
50030031	2	ChEMBL_158502 (CHEMBL765715)	Inhibition of the platelet-derived growth factor receptor.
50047260	7	ChEMBL_1567870 (CHEMBL3789265)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPH
50047282	1	ChEMBL_1568375 (CHEMBL3789028)	Inhibition of human ERG by patch clamp method
50047282	2	ChEMBL_1568144 (CHEMBL3791603)	Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay
50030032	1	ChEMBL_90640 (CHEMBL702341)	50% inhibition of human recombinant stromelysin (MMP-3, HFS)
50030032	2	ChEBML_105802	50% inhibition of human recombinant Matrilysin
50030032	3	ChEBML_71648	Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).
50030032	4	ChEBML_90641	Inhibition of human recombinant stromelysin (MMP-3, HFS)
50030032	5	ChEBML_70344	50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)
50030032	7	ChEMBL_70344 (CHEMBL677169)	50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)
50047282	3	ChEMBL_1568145 (CHEMBL3791604)	Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay
50030033	5	ChEMBL_142725 (CHEMBL745029)	Binding affinity for NK-3 receptor was determined in vitro using isolated rat portal vein.
50047283	1	ChEMBL_1568678 (CHEMBL3791346)	Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay
50047283	2	ChEMBL_1568682 (CHEMBL3791350)	Agonist activity at human C-terminal YFP-tagged FFA4 receptor expressed in HEK293 cells incubated for 5 mins by BRET based beta-arrestin 2 recruitment assay
50047284	1	ChEMBL_1568720 (CHEMBL3791885)	Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis
50047285	1	ChEMBL_1568990 (CHEMBL3789590)	Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced Ca2+ influx preincubated for 2 mins followed by AITC addition measured for 2 mins by Fluo-4 dye based FLIPR assay
50047285	2	ChEMBL_1569233 (CHEMBL3791657)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPH
50047285	3	ChEMBL_1569234 (CHEMBL3791658)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis in presence of NADPH
50047285	4	ChEMBL_1569236 (CHEMBL3791660)	Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of methylglyoxal-induced 45Ca2+ uptake preincubated for 10 mins followed by methylglyoxal addition measured after 3 mins by TopCount microplate scintillator counting method
50047285	5	ChEMBL_1569237 (CHEMBL3791661)	Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of hypo osmolarity buffer-induced 45Ca2+ uptake preincubated for 10 mins followed by hypo osmolarity buffer addition measured after 3 mins by TopCount microplate scintillator counting method
50030037	1	ChEBML_58600	Binding affinity against D2 receptor in rat striatum using [3H]raclopride
50030037	2	ChEBML_2843	Binding affinity against 5-hydroxytryptamine 2C receptor in rat choroid plexus using [3H]N-methyl-mesulergine
50030037	4	ChEBML_1461	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]8-OH-DPAT
50030037	5	ChEBML_2681	Binding affinity for 5-hydroxytryptamine 2A receptor in rat cortex using [3H]ketanserin
50030038	1	ChEBML_29088	Compound was tested in vitro for inhibitory activity against Acetylcholinesterase in rat cortex
50030038	2	ChEBML_28160	Compound was tested in vitro for inhibitory activity against Acetylcholinesterase
50030038	3	ChEBML_41585	Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase
50030040	1	ChEBML_79974	Compound was tested for its inhibitory activity against HIV-1 protease
50030040	2	ChEBML_45151	Inhibition against human cathepsin D was determined
50047285	6	ChEMBL_1568991 (CHEMBL3789591)	Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced Ca2+ influx preincubated for 2 mins followed by AITC addition measured for 2 mins by Fluo-4 dye based FLIPR assay
50030043	7	ChEMBL_40108 (CHEMBL657643)	Compound was evaluated for inhibitory activity against [3H]BK in membrane preparations from a stable cell line that expresses the human B2 receptor
50030043	3	ChEBML_39983	Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle
50030045	1	ChEBML_42603	Compound was tested in vitro for its binding affinity towards recombinant human Calcitonin gene-related peptide type receptor (membranes of HEK293 cells) using [125I]hCGRP as radioligand
50047285	7	ChEMBL_1568994 (CHEMBL3789594)	Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as increase in Ca2+ influx measured for 2 mins by Fluo-4 dye based FLIPR assay
50047285	8	ChEMBL_1568995 (CHEMBL3789595)	Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as increase in Ca2+ influx measured for 2 mins by Fluo-4 dye based FLIPR assay
50047285	9	ChEMBL_1568996 (CHEMBL3789596)	Antagonist activity at human TRPV3 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of 2-ABP-induced Ca2+ influx preincubated for 1 min followed by 2-ABP addition measured for 1 min by luminescence assay
50047285	10	ChEMBL_1568997 (CHEMBL3789597)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 2.5 mins followed by capsaicin addition measured for 1 min by luminescence assay
50047285	11	ChEMBL_1569211 (CHEMBL3791635)	Antagonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced 45Ca2+ uptake preincubated for 1 min followed by AITC addition measured after 12 mins
50047285	12	ChEMBL_1569212 (CHEMBL3791636)	Antagonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells assessed as inhibition of AITC-induced 45Ca2+ uptake preincubated for 1 min followed by AITC addition measured after 12 mins
50047285	13	ChEMBL_1569213 (CHEMBL3791637)	Agonist activity at rat TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay
50047285	14	ChEMBL_1569214 (CHEMBL3791638)	Agonist activity at human TRPA1 expressed in tetracycline-inducible T-REx expression system transfected CHO cells by 45Ca2+ uptake assay
50047286	1	ChEMBL_1569745 (CHEMBL3791689)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide substrate after 15 mins by spectrophotometric method
50047287	1	ChEMBL_1569753 (CHEMBL3791697)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by liquid scintillation counter
50030047	4	ChEMBL_223071 (CHEMBL842921)	Tested for functional activity against neuronal nicotinic acetylcholine receptor(nAChR) expressed in K177 cells using isotopic rubidium efflux assay.
50030047	5	ChEBML_223071	Tested for functional activity against neuronal nicotinic acetylcholine receptor(nAChR) expressed in K177 cells using isotopic rubidium efflux assay.
50047288	1	ChEMBL_1570043 (CHEMBL3789406)	Inhibition of Lck (unknown origin)
50047288	2	ChEMBL_1570044 (CHEMBL3789407)	Inhibition of Her1 (unknown origin)
50047288	3	ChEMBL_1570045 (CHEMBL3789408)	Inhibition of PI3K-beta (unknown origin)
50030049	1	ChEBML_66598	Tested for inhibition of Epidermal growth factor receptor from A431 vulval squamous carcinoma cells
50047288	4	ChEMBL_1570046 (CHEMBL3789409)	Inhibition of PI3K-alpha (unknown origin)
50047288	5	ChEMBL_1570047 (CHEMBL3789410)	Inhibition of human ERG by dofetilide binding assay
50047288	6	ChEMBL_1570037 (CHEMBL3789400)	Inhibition of IGF-1 receptor (unknown origin)
50047288	7	ChEMBL_1570038 (CHEMBL3789401)	Inhibition of Ins receptor (unknown origin)
50030050	1	ChEBML_195972	In vitro binding affinity for human renin at pH 7.2
50030050	2	ChEMBL_195761 (CHEMBL803428)	Compound was tested in vitro for binding affinity against human renin at pH 7.2
50030051	1	ChEBML_195330	Inhibition of [3H]ATRA binding to RAR alpha receptor
50047288	8	ChEMBL_1570039 (CHEMBL3789402)	Inhibition of EphB4 receptor (unknown origin)
50047288	9	ChEMBL_1570040 (CHEMBL3789403)	Inhibition of Ret (unknown origin)
50030051	15	ChEMBL_195820 (CHEMBL800284)	Inhibition of [3H]ATRA binding to RAR beta receptor
50030051	12	ChEMBL_196651 (CHEMBL800764)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma
50047288	10	ChEMBL_1570041 (CHEMBL3789404)	Inhibition of Jak1 (unknown origin)
50030051	16	ChEMBL_196331 (CHEMBL801568)	Inhibition of [3H]ATRA binding to RAR gamma receptor
50047288	11	ChEMBL_1570042 (CHEMBL3789405)	Inhibition of KDR (unknown origin)
50030051	17	ChEMBL_196497 (CHEMBL798311)	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha
50030052	2	ChEBML_590	Tested in vitro for the inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor, expressed in cloned CHO cells.
50030052	3	ChEBML_63051	Tested in vitro for the inhibition of [3H]raclopride binding to Dopamine receptor D2 in rat striatum
50030052	4	ChEBML_62936	Tested in vitro for the inhibition of [3H]U-86170 binding to Dopamine receptor D3, expressed in cloned CHO cells
50030052	5	ChEBML_60997	Tested in vitro for the inhibition of [3H]spiperone binding to Dopamine receptor D4, expressed in cloned CHO cells
50047255	25	ChEMBL_1563973 (CHEMBL3784892)	Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Caliper Mobility Shift Assay
50030053	5	ChEMBL_102109 (CHEMBL710486)	Inhibition of matrix metalloprotease-8, MMP-8
50030053	6	ChEMBL_101947 (CHEMBL711198)	Inhibition of matrix metalloprotease-3, MMP-3
50047255	27	ChEMBL_1563974 (CHEMBL3784893)	Inhibition of human EGFR catalytic domain (668 to 1210 residues) T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Caliper Mobility Shift Assay
50030054	3	ChEMBL_218858 (CHEMBL822315)	Compound was tested for functional response of human metabotropic glutamate receptor mGluR1-alpha expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis
50047255	24	ChEMBL_1563972 (CHEMBL3784891)	Inhibition of JAK1 (unknown origin)
50047255	26	ChEMBL_1563978 (CHEMBL3784897)	Inhibition of recombinant human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system by mass spectrometric analysis
50030056	1	ChEBML_88805	Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase
50030057	1	ChEBML_69670	Inhibition of Factor Xa
50030057	2	ChEBML_208542	The compound was evaluated for inhibitory activity against Thrombin
50030057	3	ChEBML_210666	The compound was evaluated for inhibitory activity against Trypsin
50030057	4	ChEBML_69652	The compound was evaluated for inhibitory activity against bovine Factor Xa
50047255	15	ChEMBL_1563976 (CHEMBL3784895)	Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 1 hr followed by EGF stimulation for 8 mins by electrochemiluminescent immunoassay
50047290	3	ChEMBL_1564170 (CHEMBL3784067)	Agonist activity at histidine-tagged ligand binding domain of human RXRalpha expressed in Escherichia coli BL21 (DE3) by luciferase reporter gene assay
50047290	1	ChEMBL_1564174 (CHEMBL3784071)	Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay
50047290	2	ChEBML_1564174	Agonist activity at Renilla luciferase/GFP2-tagged RXRalpha homodimer (unknown origin) expressed in HEK293T cells by BRET2 assay
50047291	1	ChEBML_1564181	Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	10	ChEMBL_1564313 (CHEMBL3784634)	Inhibition of FLAG-tagged human PRMT6 expressed in HEK293 cells assessed as reduction in H3R2 global methylation incubated for 20 hrs by Western blot method
50047291	14	ChEBML_1564207	Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	17	ChEBML_1564307	Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	15	ChEMBL_1564314 (CHEMBL3784635)	Binding affinity to Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells by ITC method
50047291	12	ChEBML_1564311	Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047281	6	ChEBML_1565754	Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50047257	35	ChEMBL_1569647 (CHEMBL3790873)	Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetric analysis
50047254	225	ChEBML_1565875	Inhibition of CSK (unknown origin) in presence of [gamma33P]ATP
50047254	242	ChEBML_1565884	Inhibition of FGFR4 (unknown origin) in presence of [gamma33P]ATP
50047254	238	ChEBML_1565921	Inhibition of TYK2 (unknown origin) in presence of [gamma33P]ATP
50047254	236	ChEBML_1565920	Inhibition of SYK (unknown origin) in presence of [gamma33P]ATP
50047254	75	ChEBML_1565866	Inhibition of ALK (unknown origin) in presence of [gamma33P]ATP
50047279	3	ChEBML_1568746	Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay
50030059	1	ChEBML_84418	Antagonistic activity against histamine H1 receptor
50047291	18	ChEBML_1564181	Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	4	ChEBML_1564311	Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	19	ChEBML_1564308	Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047281	11	ChEMBL_1565754 (CHEMBL3782552)	Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50047281	10	ChEMBL_1565753 (CHEMBL3782551)	Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50047281	9	ChEMBL_1565757 (CHEMBL3782597)	Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50030060	3	ChEBML_1238	Binding affinity towards 5-hydroxytryptamine 1A receptor using receptor binding assay
50047281	8	ChEMBL_1565756 (CHEMBL3782596)	Inhibition of human recombinant thrombin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50047281	12	ChEMBL_1565752 (CHEMBL3782550)	Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50047281	7	ChEMBL_1565755 (CHEMBL3782553)	Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis
50030062	1	ChEBML_217771	Antagonistic activity against SH2 domain of Zeta-chain (TCR) associated protein kinase, ZAP-70
50030063	1	ChEBML_165	In vitro inhibition of 1,3-beta-glucan synthase in Candida albicans membrane assay.
50030064	1	ChEBML_143347	Inhibitory activity against Neuronal nitric oxide synthase
50030064	2	ChEBML_89183	Inhibitory activity against Inducible nitric oxide synthase
50030064	3	ChEBML_65154	Inhibitory activity against Endothelial nitric oxide synthase
50030065	2	ChEBML_216991	Inhibitory activity against c-src tyrosine kinase
50030066	1	ChEBML_64439	Inhibition of epidermal growth factor receptor (EGF-R)
50030066	4	ChEBML_177425	Inhibition of PDGF-BB induced PDGF-B receptor autophosphorylation in rat mesangial cells.
50030066	6	ChEBML_100374	Inhibition of MAPKK
50030066	16	ChEMBL_154586 (CHEMBL761934)	Inhibition of platelet-derived growth factor receptor (PDGF-R) from NIH 3T3 cells
50030066	8	ChEBML_216846	Inhibition of c-SRC
50030066	18	ChEMBL_124146 (CHEMBL737108)	Inhibition of Mitogen-activated protein kinase
50030066	10	ChEBML_48698	Inhibition of Cdc2
50030066	11	ChEBML_70479	Inhibition of Fibroblast growth factor receptor in NIH 3T3 cells
50030066	15	ChEMBL_154584 (CHEMBL761932)	Inhibition of platelet-derived growth factor receptor (PDGF-R) in human aortic smooth muscle cells
50030066	14	ChEBML_158665	Inhibition of Platelet-derived growth factor receptor beta (PDGF beta-R)
50047292	1	ChEMBL_1563113 (CHEMBL3783761)	Agonist activity at mouse TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer
50047292	2	ChEMBL_1563123 (CHEMBL3783771)	Inhibition of CYP3A4 (unknown origin)
50047292	3	ChEMBL_1563124 (CHEMBL3783772)	Inhibition of CYP2D6 (unknown origin)
50047292	4	ChEMBL_1563125 (CHEMBL3783773)	Inhibition of CYP2C9 (unknown origin)
50047292	5	ChEMBL_1563108 (CHEMBL3783756)	Agonist activity at human TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer
50030069	1	ChEBML_160790	Displacement of [3H]PDBu from Protein kinase C delta
50030073	1	ChEBML_53452	The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]p-CI-DPDPE radioligand from mouse vas deferens
50030074	1	ChEBML_52078	Inhibition of Cytochrome P450 epoxygenase in rat kidney microsomes
50047292	6	ChEMBL_1563111 (CHEMBL3783759)	Agonist activity at rat TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometer
50047293	1	ChEMBL_1563129 (CHEMBL3783777)	Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Bak BH3 peptide (GQVGRQLAIIGDDINR) after 3 hrs by fluorescence polarization competition assay
50030077	1	ChEBML_71649	Inhibition of Gelatinase A, matrix metalloprotease-2
50030078	1	ChEBML_1732	Affinity for 5-hydroxytryptamine 1D receptor subtype
50030078	2	ChEBML_957	Affinity for 5-hydroxytryptamine 1A receptor subtype
50030078	5	ChEMBL_1599 (CHEMBL616625)	The compound was evaluated for intrinsic activity against human cloned 5-hydroxytryptamine 1B receptor; full agonist
50030080	11	ChEMBL_1937 (CHEMBL617245)	Inhibitory concentration against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells
50030080	1	ChEBML_62754	Binding affinity against [3H]spiperone binding to Dopamine receptor D3 expressed in CHO-K1 cells
50030080	3	ChEBML_61746	Inhibitory concentration against [3H]U-86170 binding to Dopamine receptor D2 expressed in CHO-K1 cells
50030080	5	ChEMBL_62754 (CHEMBL674594)	Binding affinity against [3H]spiperone binding to Dopamine receptor D3 expressed in CHO-K1 cells
50030080	6	ChEBML_1233	Inhibitory concentration against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells
50030080	7	ChEMBL_1233 (CHEMBL615875)	Inhibitory concentration against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells
50030080	8	ChEMBL_62261 (CHEMBL675663)	Binding affinity against [3H]U-86170 binding to Dopamine receptor D2 expressed in CHO-K1 cells
50030081	1	ChEBML_156378	Inhibitory activity against phospholipase A2 enzyme
50030082	1	ChEBML_63345	Inhibition of specific binding of [125I]ET1 (endothelin 1) to the endothelin A receptor of rat aorta membranes
50030082	2	ChEBML_63875	Inhibition of specific binding of [125I]ET1 (endothelin 1) to endothelin B receptor of porcine kidney membranes
50048419	1	ChEMBL_48247 (CHEMBL661837)	Tested for its selectivity against human Cholecystokinin type B receptor isolated from a human temporal cortex cDNA library and stably transfected into a HeLa cell line. (n=1)
50048419	2	ChEMBL_49902 (CHEMBL665890)	Tested for its selectivity against human Cholecystokinin type A receptor isolated from a human gallbladder cDNA library and stably transfected into a COSM6 cell line; (n=1)
50030083	1	ChEBML_43661	Inhibitory activity using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.
50030083	2	ChEBML_47610	Inhibitory activity using cysteine protease, Cathepsin B with Cbz-Phe-Arg-AMC as substrate.
50030084	1	ChEBML_138995	Compound was evaluated for the inhibition of binding of [3H]DAGO to rat brain mu opioid receptor
50030084	2	ChEBML_145675	Inhibition of Opioid receptor kappa 1 as reduced contraction in electrically stimulated rabbit vas deferens
50030084	3	ChEBML_145826	Compound was evaluated for the inhibition of binding of [3H]U-69593 to cloned rat Opioid receptor kappa 1 expressed in CHO cell line
50047294	1	ChEBML_1563435	Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins using KKKSPGEYVNIEFG peptide substrate by scintillation counting analysis
50030087	1	ChEBML_48447	Compound was evaluated for its 50 percent inhibitory concentration against human Coagulation factor VII
50030087	2	ChEBML_212694	Compound was evaluated for its 50% inhibitory concentration against human protease enzyme trypsin
50030087	3	ChEBML_212338	Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin
50030087	4	ChEBML_48489	Compound was evaluated for its 50% inhibitory concentration against Coagulation factor X
50030087	5	ChEBML_209236	Compound was evaluated for its 50 percent inhibitory concentration against human thrombin factor (FIIa)
50030088	1	ChEBML_207963	In vitro inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50%
50030088	3	ChEBML_212698	In vitro inhibitory concentration required to inhibit human serine protease enzyme human trypsin by 50%
50030088	4	ChEBML_48620	In vitro inhibitory concentration required to inhibit Coagulation factor X by 50%
50047291	24	ChEMBL_1564181 (CHEMBL3784078)	Inhibition of N-terminal hexa-His tagged human PRMT6 expressed in Sf9 cells using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	22	ChEMBL_1564180 (CHEMBL3784077)	Inhibition of CARM1 (unknown origin) using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50030090	2	ChEMBL_144911 (CHEMBL749477)	Tested for the inhibitory potency against Neurokinin 1 NK1 receptor
50047291	25	ChEMBL_1564311 (CHEMBL3784632)	Inhibition of human PRMT8 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50030092	1	ChEBML_70932	In vitro inhibition constant against rat small intestinal glucoamylase
50047291	23	ChEMBL_1564308 (CHEMBL3784629)	Inhibition of human PRMT4 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	11	ChEMBL_1564179 (CHEMBL3784076)	Inhibition of GST-tagged CARM1 (unknown origin) using tritiated S-adenosylmethionine as substrate at 6 nM by methylation- based filter assay
50047291	6	ChEBML_1564207	Inhibition of human PRMT1 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50047291	9	ChEBML_1564307	Inhibition of human PRMT3 using 24 residues of biotin labelled histone4 substrate and tritiated 3H-S-adenosylmethionine by scintillation proximity assay
50030093	1	ChEBML_63769	Displacement of [gamma-32P]-ATP from Epidermal growth factor receptor in A431 cell-free extracts
50047295	19	ChEMBL_1564325 (CHEMBL3784646)	Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as IP1 formation after 1 hr by ELISA
50047295	10	ChEBML_1564319	Displacement of [3H]-Me-His-TRH from mouse TRH-R1 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs
50047295	20	ChEMBL_1564320 (CHEMBL3784641)	Displacement of [3H]-Me-His-TRH from mouse TRH-R2 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs
50047295	2	ChEMBL_1564323 (CHEMBL3784644)	Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as Ca2+ release by FLIPR assay
50047254	304	ChEMBL_1565882 (CHEMBL3789986)	Inhibition of FGFR3 (unknown origin) in presence of [gamma33P]ATP
50047254	285	ChEMBL_1565918 (CHEMBL3790307)	Inhibition of ROCK2 (unknown origin) in presence of [gamma33P]ATP
50047254	281	ChEMBL_1565872 (CHEMBL3789976)	Inhibition of BTK (unknown origin) in presence of [gamma33P]ATP
50047254	255	ChEMBL_1565890 (CHEMBL3789994)	Inhibition of JAK2 (unknown origin) in presence of [gamma33P]ATP
50047254	271	ChEMBL_1565905 (CHEMBL3790009)	Inhibition of PDK1 (unknown origin) in presence of [gamma33P]ATP
50047254	263	ChEMBL_1565906 (CHEMBL3790010)	Inhibition of PI3Kalpha (unknown origin) in presence of [gamma33P]ATP
50047254	251	ChEMBL_1565894 (CHEMBL3789998)	Inhibition of LCK (unknown origin) in presence of [gamma33P]ATP
50047254	274	ChEMBL_1570092 (CHEMBL3789694)	Inhibition of insulin receptor (unknown origin) in presence of [gamma33P]ATP
50047254	165	ChEMBL_1565875 (CHEMBL3789979)	Inhibition of CSK (unknown origin) in presence of [gamma33P]ATP
50047254	295	ChEMBL_1565889 (CHEMBL3789993)	Inhibition of JAK1 (unknown origin) in presence of [gamma33P]ATP
50047254	267	ChEMBL_1565902 (CHEMBL3790006)	Inhibition of MKNK2 (unknown origin) in presence of [gamma33P]ATP
50047254	12	ChEMBL_1565866 (CHEMBL3789970)	Inhibition of ALK (unknown origin) in presence of [gamma33P]ATP
50030096	1	ChEBML_98515	Inhibitory concentration of compound against Leukotriene B4 receptor binding to human neutrophils was determined
50030098	1	ChEBML_36053	Inhibition of cytochrome P450 19A1 aromatase from human placental microsomes
50030098	2	ChEMBL_36054 (CHEMBL645586)	Inhibition of aromatase cytochrome P450 from human placental microsomes; 800-1000
50047254	266	ChEMBL_1565909 (CHEMBL3790298)	Inhibition of PI3Kdelta (unknown origin) in presence of [gamma33P]ATP
50047254	250	ChEMBL_1565899 (CHEMBL3790003)	Inhibition of MAPKAPK2 (unknown origin) in presence of [gamma33P]ATP
50047254	288	ChEMBL_1565914 (CHEMBL3790303)	Inhibition of PRKACA (unknown origin) in presence of [gamma33P]ATP
50047254	256	ChEMBL_1565891 (CHEMBL3789995)	Inhibition of JAK3 (unknown origin) in presence of [gamma33P]ATP
50047254	289	ChEMBL_1565915 (CHEMBL3790304)	Inhibition of PRKCA (unknown origin) in presence of [gamma33P]ATP
50047254	261	ChEMBL_1565901 (CHEMBL3790005)	Inhibition of cMET (unknown origin) in presence of [gamma33P]ATP
50047254	301	ChEMBL_1570072 (CHEMBL3789674)	Inhibition of full length IGF-1 receptor (unknown origin) transfected in Ba/F3 cells assessed as cell proliferation
50047254	272	ChEMBL_1570094 (CHEMBL3789696)	Inhibition of full length insulin receptor (unknown origin) transfected in Ba/F3 cells assessed as cell proliferation
50047254	302	ChEMBL_1570070 (CHEMBL3789672)	Inhibition of IGF-1 receptor (unknown origin) in presence of [gamma33P]ATP
50047254	294	ChEMBL_1565888 (CHEMBL3789992)	Inhibition of HER2 (unknown origin) in presence of [gamma33P]ATP
50047254	293	ChEMBL_1565887 (CHEMBL3789991)	Inhibition of HER1 (unknown origin) in presence of [gamma33P]ATP
50047254	269	ChEMBL_1565903 (CHEMBL3790007)	Inhibition of PDGFRalpha (unknown origin) in presence of [gamma33P]ATP
50047254	178	ChEMBL_1565921 (CHEMBL3790310)	Inhibition of TYK2 (unknown origin) in presence of [gamma33P]ATP
50047254	284	ChEMBL_1565917 (CHEMBL3790306)	Inhibition of RET (unknown origin) in presence of [gamma33P]ATP
50047254	291	ChEMBL_1565870 (CHEMBL3789974)	Inhibition of AKT1 (unknown origin) in presence of [gamma33P]ATP
50047254	290	ChEMBL_1565916 (CHEMBL3790305)	Inhibition of PRKCQ (unknown origin) in presence of [gamma33P]ATP
50047254	265	ChEMBL_1565908 (CHEMBL3790297)	Inhibition of PI3Kgamma (unknown origin) in presence of [gamma33P]ATP
50047254	182	ChEMBL_1565884 (CHEMBL3789988)	Inhibition of FGFR4 (unknown origin) in presence of [gamma33P]ATP
50047254	278	ChEMBL_1565878 (CHEMBL3789982)	Inhibition of EphB4 (unknown origin) in presence of [gamma33P]ATP
50047254	253	ChEMBL_1565896 (CHEMBL3790000)	Inhibition of MAP3K8 (unknown origin) in presence of [gamma33P]ATP
50047254	254	ChEMBL_1565897 (CHEMBL3790001)	Inhibition of MAPK14 (unknown origin) in presence of [gamma33P]ATP
50047254	280	ChEMBL_1565912 (CHEMBL3790301)	Inhibition of PKN2 (unknown origin) in presence of [gamma33P]ATP
50047254	264	ChEMBL_1565907 (CHEMBL3790011)	Inhibition of PI3Kbeta (unknown origin) in presence of [gamma33P]ATP
50047254	262	ChEMBL_1565868 (CHEMBL3789972)	Inhibition of ABL1 (unknown origin) in presence of [gamma33P]ATP
50047254	176	ChEMBL_1565920 (CHEMBL3790309)	Inhibition of SYK (unknown origin) in presence of [gamma33P]ATP
50047254	258	ChEMBL_1565893 (CHEMBL3789997)	Inhibition of cKIT (unknown origin) in presence of [gamma33P]ATP
50047254	268	ChEMBL_1565869 (CHEMBL3789973)	Inhibition of ACVR1 (unknown origin) in presence of [gamma33P]ATP
50030100	1	ChEBML_47907	Antagonism towards Colony stimulating factor 1 receptor (CSF-1R)
50030100	2	ChEBML_63790	Antagonism towards Epidermal growth factor receptor
50030100	6	ChEMBL_154585 (CHEMBL761933)	Inhibition of platelet-derived growth factor receptor (PDGF-R)
50030100	4	ChEMBL_221644 (CHEMBL823221)	Inhibition of p56 lck tyrosine kinase
50030100	5	ChEBML_221645	Inhibition of p56 lck tyrosine kinase (inactive)
50030101	1	ChEBML_89094	Inhibition of Interleukin-8 (IL-8)
50030103	1	ChEBML_92614	Time and concentration dependent inhibition of L-pipecolate oxidase was determined by the compound
50030104	1	ChEBML_157704	Inhibition of HIV-protease
50030104	2	ChEMBL_80616 (CHEMBL691048)	Compound was tested for the inhibitory activity against HIV-protease
50030105	1	ChEBML_157705	Compound was tested for the inhibitory activity against HIV-protease
50047254	299	ChEMBL_1565886 (CHEMBL3789990)	Inhibition of GSK3B (unknown origin) in presence of [gamma33P]ATP
50047254	286	ChEMBL_1565919 (CHEMBL3790308)	Inhibition of SRC (unknown origin) in presence of [gamma33P]ATP
50047254	287	ChEMBL_1565913 (CHEMBL3790302)	Inhibition of PKN1 (unknown origin) in presence of [gamma33P]ATP
50030107	2	ChEMBL_76055 (CHEMBL687661)	The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)
50047254	282	ChEMBL_1565873 (CHEMBL3789977)	Inhibition of CDK2A (unknown origin) in presence of [gamma33P]ATP
50047254	252	ChEMBL_1565895 (CHEMBL3789999)	Inhibition of LYN (unknown origin) in presence of [gamma33P]ATP
50047254	257	ChEMBL_1565892 (CHEMBL3789996)	Inhibition of KDR (unknown origin) in presence of [gamma33P]ATP
50047254	300	ChEMBL_1570074 (CHEMBL3789676)	Displacement of [3H]-dofetilide from human ERG channel expressed in HEK293 cells
50047254	270	ChEMBL_1565904 (CHEMBL3790008)	Inhibition of PDGFRalpha-V561D mutant (unknown origin) in presence of [gamma33P]ATP
50047254	276	ChEMBL_1565877 (CHEMBL3789981)	Inhibition of EphA4 (unknown origin) in presence of [gamma33P]ATP
50047254	303	ChEMBL_1565880 (CHEMBL3789984)	Inhibition of FGFR1 (unknown origin) in presence of [gamma33P]ATP
50047254	259	ChEMBL_1565900 (CHEMBL3790004)	Inhibition of MAPKAPK5 (unknown origin) in presence of [gamma33P]ATP
50030109	1	ChEBML_43860	Inhibitory activity was evaluated against recombinant human calpain I
50030109	2	ChEMBL_43860 (CHEMBL884249)	Inhibitory activity was evaluated against recombinant human calpain I
50030110	1	ChEBML_78181	Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation
50030111	1	ChEBML_209554	Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors
50047254	277	ChEMBL_1565910 (CHEMBL3790299)	Inhibition of PI4Kbeta (unknown origin) in presence of [gamma33P]ATP
50047254	275	ChEMBL_1565876 (CHEMBL3789980)	Inhibition of EGFR (unknown origin) in presence of [gamma33P]ATP
50047254	292	ChEMBL_1565871 (CHEMBL3789975)	Inhibition of AURKA (unknown origin) in presence of [gamma33P]ATP
50047254	283	ChEMBL_1565874 (CHEMBL3789978)	Inhibition of CDK4D1 (unknown origin) in presence of [gamma33P]ATP
50047254	260	ChEMBL_1565867 (CHEMBL3789971)	Inhibition of AXL (unknown origin) in presence of [gamma33P]ATP
50047254	296	ChEMBL_1565922 (CHEMBL3790311)	Inhibition of VPS34 (unknown origin) in presence of [gamma33P]ATP
50047254	273	ChEMBL_1570093 (CHEMBL3789695)	Inhibition of full length insulin receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 stimulation measured after 10 mins by quantitative Western blot analysis
50030113	1	ChEBML_199712	Tested for its ability to inhibit HL60 cell adhesion to Selectin E IgG fusion proteins
50030113	2	ChEBML_148017	Tested for its ability to inhibit HL60 cell adhesion to P-selectin-IgG fusion proteins
50030114	1	ChEBML_202267	Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)
50030114	2	ChEBML_201962	Tested for its inhibitory activity against human microsomal quinuclidine squalene synthase (SQS)
50030115	1	ChEBML_105723	Tested for the agonistic activity against Metabotropic glutamate receptor 1
50030115	2	ChEMBL_104293 (CHEMBL709909)	Tested for the agonistic activity against Metabotropic glutamate receptor 5
50030115	7	ChEMBL_106202 (CHEMBL713192)	Tested for the agonistic activity against Metabotropic glutamate receptor 2
50030115	4	ChEBML_104466	Tested for the agonistic activity against Metabotropic glutamate receptor 6
50030115	5	ChEBML_104293	Tested for the agonistic activity against Metabotropic glutamate receptor 5
50030115	6	ChEMBL_106213 (CHEMBL713201)	Tested for the agonistic activity against Metabotropic glutamate receptor 2
50030116	1	ChEBML_80094	Inhibition constant of ritonavir towards HIV protease was determined
50030117	2	ChEBML_216447	The compound was tested for the inhibition of alpha-Chymotrypsin, activity expressed as IC50
50030118	1	ChEBML_100378	The concentration of compound required to prevent 50 percent of cells from adhering to MAdCAM-1
50030120	2	ChEBML_211240	Tested for the inhibition to V2 subtype receptor using [3H]- (VS2) as radioligand at 3 nM and arginine-vasopressin at 2 uM in LLCPKI cells
50030121	3	ChEMBL_218204 (CHEMBL824553)	Inhibition of fibrinogen binding to immobilized human glycoprotein alpha IIb beta-3 integrin
50030121	4	ChEMBL_70365 (CHEMBL677190)	Inhibition of fibrinogen binding to GPllb/IIIa receptor
50030123	2	ChEBML_61131	Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]spiperone as radioligand.
50030123	3	ChEMBL_1546 (CHEMBL616368)	Binding affinity against 5-hydroxytryptamine 1A receptor
50030123	4	ChEBML_1552	Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50047254	279	ChEMBL_1565879 (CHEMBL3789983)	Inhibition of ERBB4 (unknown origin) in presence of [gamma33P]ATP
50030123	5	ChEBML_62923	Compound was measured in vivo for its binding affinity at Dopamine receptor D3 using [3H]-YM-09151-2 as radioligand.
50030123	6	ChEBML_201219	Binding affinity against serotonin receptor
50047254	298	ChEMBL_1565885 (CHEMBL3789989)	Inhibition of FLT3-D835Y mutant (unknown origin) in presence of [gamma33P]ATP
50030124	1	ChEBML_210597	Inhibitory effect against bovine thrombin
50030124	2	ChEBML_212526	Inhibitory effect of compound was measured in bovine trypsin
50030127	1	ChEBML_140121	Tested in vitro for the binding affinity against muscarinic receptor subtype 2 (M2)
50030127	2	ChEBML_139972	Tested in vitro for the binding affinity against muscarinic receptor subtype 1 (M1)
50030127	3	ChEBML_138255	Tested in vitro for the binding affinity against muscarinic receptor subtype 3 (M3)
50030128	1	ChEBML_50206	Inhibition of specific binding of [125 I] Bolton Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas
50030128	2	ChEBML_48409	Inhibition of [125 I]CCK-8 binding to Cholecystokinin type B receptor of mouse cerebral cortex
50030130	1	ChEBML_208416	Concentration required to inhibit 50% relaxation of 250 ng of SV40 DNA obtained with 0.5 I.U topoisomerase I at 37 degrees C for 30 min
50030133	1	ChEBML_105403	Compound was tested for its inhibitory activity against Matrix metalloprotease-9 in adjuvant arthritic rat model of rheumatoid arthritis
50030133	2	ChEMBL_105503 (CHEMBL712714)	Compound was tested for its inhibitory activity against Matrix metalloprotease-9 in adjuvant arthritic rat model of rheumatoid arthritis
50030133	3	ChEMBL_105206 (CHEMBL713845)	Compound was tested for its inhibitory activity against Matrix metalloprotease-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis
50030133	4	ChEMBL_104907 (CHEMBL713443)	Compound was tested for its inhibitory activity against Matrix metalloprotease-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis
50030133	5	ChEBML_104887	Compound was tested for its inhibitory activity against Matrix metalloprotease-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis
50030133	6	ChEMBL_105665 (CHEMBL718978)	Compound was tested for its inhibitory activity against Matrix metalloprotease-9 (MMP-9) in adjuvant arthritic rat model of rheumatoid arthritis
50030133	7	ChEBML_105217	Compound was tested for its inhibitory activity against Matrix metalloprotease-8 (MMP-8) in adjuvant arthritic rat model of rheumatoid arthritis
50047254	297	ChEMBL_1565923 (CHEMBL3790312)	Inhibition of ZAP70 (unknown origin) in presence of [gamma33P]ATP
50030135	1	ChEBML_63708	Inhibition of I-ET-1 binding to human Endothelin B receptor
50030135	2	ChEBML_65628	Inhibition of I-ET-1 binding to human Endothelin A receptor
50030136	1	ChEBML_65629	Tested for its activity in cloned human Endothelin A receptor by using I-ET-1 as radioligand in a competitive radioligand assay
50030136	2	ChEBML_63711	Inhibition of human Endothelin B receptor using I-ET-1 as radioligand in a competitive radioligand assay
50030136	3	ChEMBL_65631 (CHEMBL681514)	Tested for the inhibitory activity of cloned human ETA receptor by using I-ET-1 as radioligand in a competitive radioligand assay
50030136	4	ChEMBL_63710 (CHEMBL678456)	Tested for the inhibitory activity of cloned human ETB receptor by using I-ET-1 as radioligand in a competitive radioligand assay
50030136	5	ChEMBL_65629 (CHEMBL681512)	Tested for its activity in cloned human Endothelin A receptor by using I-ET-1 as radioligand in a competitive radioligand assay
50047254	64	ChEMBL_1565881 (CHEMBL3789985)	Inhibition of FGFR2 (unknown origin) in presence of [gamma33P]ATP
50030138	1	ChEBML_98513	In vitro binding affinity towards LTB4 receptor determined by measuring the displacement of [3H]LTB4 from isolated neutrophils
50030139	1	ChEBML_90859	Antiinflammatory activity measured as the concentration required to inhibit IL-1 beta converting enzyme
50030140	1	ChEMBL_51830 (CHEMBL664055)	Compound was tested for inhibition against Creatine kinase (CK)
50030140	2	ChEBML_51831	Compound was tested for inhibition against Creatine kinase(CK)
50030141	4	ChEBML_138345	Binding affinity against Muscarinic receptor M1 in rat brain using [3H]-PZ (pirenzepine) radioligand at a concentration of 1 nM
50047254	96	ChEMBL_1565911 (CHEMBL3790300)	Inhibition of PLK1 (unknown origin) in presence of [gamma33P]ATP
50030142	1	ChEBML_214951	In vitro inhibition of human T-cells voltage-gated potassium channel subunit Kv1.3
50047296	1	ChEMBL_1566137 (CHEMBL3787806)	Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047296	2	ChEMBL_1566138 (CHEMBL3787807)	Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047296	3	ChEMBL_1566139 (CHEMBL3787808)	Inhibition of recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50030145	6	ChEBML_216730	Inhibition of cyclin-dependent kinase 1 cdc2
50030146	1	ChEBML_69353	Inhibitory concentration was measured towards partially purified FPTase enzyme from rat brain using a scintillation proximity assay method in vitro
50047296	4	ChEMBL_1566136 (CHEMBL3787805)	Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50030149	3	ChEBML_140490	Ability to displace [3H]glycine from NMDA receptor
50047297	10	ChEMBL_1566152 (CHEMBL3787821)	Competitive inhibition of recombinant human PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis
50047295	17	ChEMBL_1564322 (CHEMBL3784643)	Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as Ca2+ release by FLIPR assay
50047295	15	ChEBML_1564319	Displacement of [3H]-Me-His-TRH from mouse TRH-R1 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs
50047295	12	ChEBML_1564323	Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as Ca2+ release by FLIPR assay
50047295	18	ChEMBL_1564326 (CHEMBL3784647)	Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as IP1 formation after 1 hr by ELISA
50047295	7	ChEBML_1564320	Displacement of [3H]-Me-His-TRH from mouse TRH-R2 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs
50047295	24	ChEMBL_1564319 (CHEMBL3784640)	Displacement of [3H]-Me-His-TRH from mouse TRH-R1 expressed in HEK293 cells preincubated for 15 mins measured after 4 hrs
50030150	1	ChEBML_202782	Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tyrosine kinase SH2 domain.
50030152	1	ChEBML_208904	Evaluated for inhibition against thrombin
50047298	1	ChEMBL_1564346 (CHEMBL3784773)	Inhibition of electric eel AChE preincubated for 5 mins followed by addition of acetylthiocholine iodide measured after 2 mins by Ellman's method
50047298	2	ChEMBL_1564345 (CHEMBL3784772)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50047294	2	ChEMBL_1563435 (CHEMBL3782932)	Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins using KKKSPGEYVNIEFG peptide substrate by scintillation counting analysis
50030155	5	ChEMBL_106207 (CHEMBL872681)	Antagonistic activity against Metabotropic glutamate receptor 2 was determined
50030155	2	ChEBML_105728	Antagonistic activity against Metabotropic glutamate receptor 1 was determined
50030155	3	ChEBML_104290	Antagonistic activity against Metabotropic glutamate receptor 5 was determined
50030155	4	ChEBML_104467	Antagonistic activity against Metabotropic glutamate receptor 6 was determined
50047299	1	ChEMBL_1563448 (CHEMBL3783041)	Agonist activity at human FFA1 expressed in CHO cells assessed as intracellular Ca2+ level measured for 90 secs by Fluo-4 AM-based FLIPR assay
50047257	181	ChEMBL_1569633 (CHEMBL3790859)	Binding affinity to CBP (unknown origin) by isothermal titration calorimetric analysis
50047257	34	ChEMBL_1569648 (CHEMBL3790874)	Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysis
50047257	170	ChEMBL_1569678 (CHEMBL3791151)	Inhibition of BRD4 bromodomain 1 (unknown origin)
50047257	187	ChEMBL_1569672 (CHEMBL3791145)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 after 20 mins by Alphascreen assay
50047257	184	ChEMBL_1569671 (CHEMBL3791144)	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (44 to 477 residues) (unknown origin) incubated for 35 mins by TR-FRET assay
50047257	193	ChEMBL_1569649 (CHEMBL3790875)	Binding affinity to BRPF3 (unknown origin) by isothermal titration calorimetric analysis
50047257	176	ChEMBL_1569653 (CHEMBL3791126)	Displacement of biotinylated tetra-acetylated histone H4 from His/Flag-tagged BRD4 bromodomain1 (42 to 168 residues) (unknown origin) incubated for 20 mins by Alphascreen assay
50047257	183	ChEMBL_1569632 (CHEMBL3790858)	Binding affinity to CBP bromodomain (unknown origin) by fluorescence spectroscopic analysis
50047257	173	ChEMBL_1569637 (CHEMBL3790863)	Inhibition of doxorubicin-stimulated p53 (unknown origin) expressed in human RKO cells preincubated for 24 hrs followed by addition of doxorubicin for 16 hrs by luciferase reporter assay
50047257	182	ChEMBL_1569676 (CHEMBL3791149)	Binding affinity to BRD4 bromodomain 1 (unknown origin) by isothermal titration calorimetric analysis
50047257	185	ChEMBL_1569670 (CHEMBL3791143)	Binding affinity to His-tagged BRD4 bromodomain1 (unknown origin) (57 to 168 residues) incubated for 1 hr in presence of Europium Cryptate-labeled streptavidin by TR-FRET assay
50047257	180	ChEMBL_1569677 (CHEMBL3791150)	Binding affinity to BRD4 bromodomain 2 (unknown origin) by isothermal titration calorimetric analysis
50047257	189	ChEMBL_1569642 (CHEMBL3790868)	Binding affinity to PB1 bromodomain5 (unknown origin) by isothermal titration calorimetric analysis
50047257	9	ChEMBL_1569657 (CHEMBL3791130)	Displacement of biotinylated tetra-acetylated histone H4 from His-tagged BRD4 bromodomain1 (42 to 168 residues) (unknown origin) incubated for 30 mins by Alphascreen assay
50047257	194	ChEMBL_1569631 (CHEMBL3790857)	Inhibition of CBP (unknown origin) by alphascreen assay
50047257	190	ChEMBL_1569641 (CHEMBL3790867)	Binding affinity to SMARCA4 (unknown origin) by isothermal titration calorimetric analysis
50047257	195	ChEMBL_1569639 (CHEMBL3790865)	Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetric analysis
50047257	177	ChEMBL_1569674 (CHEMBL3791147)	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (67 to 152 residues) (unknown origin) incubated for 1 hr at 22 degC followed by overnight incubation at 4degC by TR-FRET assay
50047257	191	ChEMBL_1569665 (CHEMBL3791138)	Inhibition of BRD4 bromodomain1 in human MV4-11 cells
50047257	186	ChEMBL_1569673 (CHEMBL3791146)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 (44 to 168 residues) (unknown origin) after 60 mins by Alphascreen assay
50047257	179	ChEMBL_1569652 (CHEMBL3791125)	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 1 hr at 22 degC followed by overnight incubation at 4degC by TR-FRET assay
50047257	172	ChEMBL_1569659 (CHEMBL3791132)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 europium chelate preincubated for 15 mins followed by addition of BD1-ligand/Allophycocyanin acceptor measured after 1 hr by TR-FRET assay
50047257	171	ChEMBL_1569634 (CHEMBL3790860)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged CBP by alphascreen assay
50047257	169	ChEMBL_1569635 (CHEMBL3790861)	Binding affinity to human CBP by isothermal titration calorimetric analysis
50047257	188	ChEMBL_1569629 (CHEMBL3790855)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 by alphascreen assay
50047257	174	ChEMBL_1569658 (CHEMBL3791131)	Displacement of biotinylated tetra-acetylated histone H4 from his-tagged BRD4 bromodomain1 (unknown origin) incubated for 30 mins by TR-FRET assay
50047257	175	ChEMBL_1569675 (CHEMBL3791148)	Displacement of FITC-labeled MS417 from BRD4 bromodomain 1 (unknown origin) after 1 hr by fluorescence anisotropy
50047257	192	ChEMBL_1569660 (CHEMBL3791133)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 (44 to 168 residues) after 60 mins by TR-FRET assay
50047257	178	ChEMBL_1569630 (CHEMBL3790856)	Displacement of biotinylated tetra-acetylated histone H4 from human his-tagged BRD4 bromodomain1 by FRET assay
50047300	1	ChEMBL_1566306 (CHEMBL3788933)	Inhibition of recombinant human N-terminal His-FLAG-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 substrate incubated for 30 mins by TR-FRET assay
50047300	2	ChEMBL_1566307 (CHEMBL3788934)	Inhibition of recombinant human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 substrate incubated for 30 mins by TR-FRET assay
50047300	3	ChEMBL_1566308 (CHEMBL3788935)	Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using biotin-H3K9me3 substrate incubated for 30 mins by TR-FRET assay
50047300	4	ChEMBL_1566309 (CHEMBL3788936)	Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 substrate incubated for 30 mins by alphascreen assay
50047300	5	ChEMBL_1566310 (CHEMBL3788937)	Inhibition of KDM5A in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay
50047300	6	ChEMBL_1566311 (CHEMBL3788938)	Inhibition of KDM5B in human ZR-75-1 cells assessed as reduction in H3K4me3 demethylation incubated for 72 hrs by fluorometric immunoassay
50047300	7	ChEMBL_1566318 (CHEMBL3789197)	Inhibition of recombinant N-terminal FLAG-tagged Tev-KDM4C (1 to 366 residues) (unknown origin) using K3K9me3 as substrate preincubated for 10 mins followed by substrate addition by rapid fire demethylase assay
50047300	8	ChEMBL_1566319 (CHEMBL3789198)	Inhibition of KDM5B (unknown origin)
50047300	9	ChEMBL_1566321 (CHEMBL3789200)	Inhibition of recombinant full length FLAG-tagged KDM5A (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by mass spetcrometric analysis
50047300	10	ChEMBL_1566322 (CHEMBL3789201)	Inhibition of recombinant His6-tagged KDM4C (350 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using H3K9me3 (1 to 21 residues) as substrate incubated for 10 mins measured after 45 mins by mass spectrometric analysis
50047300	11	ChEMBL_1566323 (CHEMBL3789202)	Inhibition of recombinant full length FLAG-tagged KDM5B (unknown origin) expressed in sf9 cells using biotin-H3K4me3 (1 to 21 residues as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by mass spetcrometric analysis
50047300	12	ChEMBL_1566324 (CHEMBL3789203)	Inhibition of KDM5A in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay
50047300	13	ChEMBL_1566325 (CHEMBL3789204)	Inhibition of KDM5B in human PC9 cells assessed as reduction in demethylation of H3K4me3 after 120 hrs by AlphaLisa assay
50047300	14	ChEMBL_1566326 (CHEMBL3789205)	Inhibition of KDM4C (unknown origin) using H3K9me3 as substrate preincubated for 10 mins followed by substrate addition measured after 360 mins by LC-MS/MS analysis
50047300	15	ChEMBL_1566039 (CHEMBL3791197)	Inhibition of KDM4A (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate
50047300	16	ChEMBL_1566040 (CHEMBL3791427)	Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using H3K4me3 as substrate
50047300	17	ChEMBL_1566041 (CHEMBL3791428)	Inhibition of KDM4C (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3K4me3 as substrate
50047300	18	ChEMBL_1566042 (CHEMBL3791429)	Inhibition of KDM5A (unknown origin)
50047300	19	ChEMBL_1565784 (CHEMBL3789169)	Inhibition of KDM4E (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	20	ChEMBL_1566046 (CHEMBL3791433)	Inhibition of KDM2A (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	21	ChEMBL_1566047 (CHEMBL3791434)	Inhibition of KDM3A (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	22	ChEMBL_1566048 (CHEMBL3791435)	Inhibition of KDM5C (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	23	ChEMBL_1566049 (CHEMBL3791436)	Inhibition of KDM6B (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	24	ChEMBL_1566050 (CHEMBL3791437)	Inhibition of KDM4C (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	25	ChEMBL_1566051 (CHEMBL3791438)	Inhibition of PHD2 (unknown origin) preincubated for 15 mins followed by histone substrate addition measured after 1 hr by alphascreen assay
50047300	26	ChEMBL_1566053 (CHEMBL3791440)	Inhibition of full-length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofuorescence assay
50047300	27	ChEMBL_1566054 (CHEMBL3791441)	Inhibition of KDM4A in human MCF7 cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofuorescence assay
50047300	28	ChEMBL_1566055 (CHEMBL3791442)	Inhibition of human KDM4A (1 to 359 residues) expressed in competent Escherichia coli BL21-CodonPlus-RIL cells using H3K9me3 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by FDH coupled enzyme assay
50047300	29	ChEMBL_1566056 (CHEMBL3791443)	Inhibition of human KDM4A (1 to 359 residues) expressed in competent Escherichia coli BL21-CodonPlus-RIL cells using H3K9me3 as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by TR-FRET assay
50047300	30	ChEMBL_1566057 (CHEMBL3791444)	Inhibition of full length human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using H3K4me3 (1 to 21 residues) substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by TR-FRET assay
50047300	31	ChEMBL_1566058 (CHEMBL3791445)	Inhibition of human C-terminal FLAG-tagged KDM6B (1043 residues) expressed in baculovirus infected sf9 cells using H3K27me3 (21 to 44 residues) substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by TR-FRET assay
50047300	32	ChEMBL_1566071 (CHEMBL3791458)	Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylstat as substrate preincubated for 30 mins followed by substrate addition measured after 4 hrs by fluorescence polarization assay
50047300	33	ChEMBL_1566072 (CHEMBL3791459)	Competitive inhibition of human KDM4A (1 to 359 residues) expressed in competent Escherichia coli BL21-CodonPlus-RIL cells using 2-oxoglutarate as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by TR-FRET assay
50047300	34	ChEMBL_1566073 (CHEMBL3791701)	Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylstat as substrate preincubated for 30 mins followed by substrate addition measured after 4 hrs by fluorescence polarization assay
50047300	35	ChEMBL_1566074 (CHEMBL3791702)	Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K36me2 level after 48 hrs by Hoechst 33258 staining based immunofluorescence assay
50047300	36	ChEMBL_1566075 (CHEMBL3791703)	Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K9me3 level after 48 hrs by Hoechst 33258 staining based immunofluorescence assay
50047300	37	ChEMBL_1566077 (CHEMBL3791705)	Inhibition of human N-terminal GST-tagged KDM4C (2 to 372 residues) expressed in baculovirus infected sf9 cells using H3K9me3 as substrate preincubated for 30 mins measured after 30 mins by TR-FRET assay
50047300	38	ChEMBL_1566078 (CHEMBL3791706)	Inhibition of recombinant GST-tagged KDM5A PHD3 (1601 to 1660 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate by fluorescence polarization assay
50047300	39	ChEMBL_1566079 (CHEMBL3791707)	Inhibition of recombinant GST-tagged KDM4A double tudor domain (895 to 1011 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate by fluorescence polarization assay
50047300	40	ChEMBL_1566080 (CHEMBL3791708)	Inhibition of recombinant GST-tagged ING2 PHD (201 to 281 residues) (unknown origin) using biotin-H3K4me3 ( 1 to 14 residues) peptide substrate by fluorescence polarization assay
50047300	41	ChEMBL_1566305 (CHEMBL3788932)	Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 substrate incubated for 30 mins by TR-FRET assay
50047300	42	ChEMBL_1566327 (CHEMBL3789206)	Inhibition of recombinant human C-terminal FLAG-tagged KDM2B (1 to 650 residues) expressed in baculovirus infected sf9 cells using biotin-H3K36me2 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	43	ChEMBL_1566328 (CHEMBL3789207)	Inhibition of recombinant human N-terminal FLAG-tagged KDM3A (2 to 1322 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	44	ChEMBL_1566329 (CHEMBL3789208)	Inhibition of recombinant KDM3B (842 to 1761 residues) (unknown origin) expressed in baculovirus infected sf9 cells using biotin-H3K9me as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	45	ChEMBL_1566330 (CHEMBL3789209)	Inhibition of recombinant human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using methylated biotin-H3K9 substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	46	ChEMBL_1566331 (CHEMBL3789210)	Inhibition of human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotinylated histone H3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	47	ChEMBL_1566332 (CHEMBL3789211)	Inhibition of KDM4C (1 to 349 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	48	ChEMBL_1566333 (CHEMBL3789212)	Inhibition of KDM5B (1 to 809 residues) (unknown origin) expressed in Escherichia coli using biotin-H3K4me3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	49	ChEMBL_1566334 (CHEMBL3789213)	Inhibition of recombinant human N-terminal FLAG-tagged KDM5C (2 to 1560 residues) expressed in baculovirus infected sf9 cells using biotin-H3K4me3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	50	ChEMBL_1566335 (CHEMBL3789214)	Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	51	ChEMBL_1566336 (CHEMBL3789215)	Inhibition of human C-terminal FLAG-tagged KDM6B (1043 residues) expressed in baculovirus infected sf9 cells using H3K27me3 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by AlphaLisa assay
50047300	52	ChEMBL_1566343 (CHEMBL3789447)	Inhibition of KDM5B in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluorescence assay
50047300	53	ChEMBL_1566344 (CHEMBL3789448)	Inhibition of KDM5C in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluorescence assay
50047300	54	ChEMBL_1565792 (CHEMBL3789177)	Inhibition of human recombinant KDM1A expressed in Escherichia coli using biotin-histone H3 as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by TR-FRET assay
50047300	55	ChEMBL_1565793 (CHEMBL3789178)	Inhibition of recombinant N-terminal His-tagged KDM1A (1 to 851 residues) (unknown origin) expressed in Escherichia coli using H3K4me2 as substrate incubated for 30 mins by spectrophotometry
50047300	56	ChEMBL_1565794 (CHEMBL3789179)	Inhibition of MAO-A (unknown origin) using MAO substrate incubated for 1 hr by MAO-Glo assay
50047300	57	ChEMBL_1565795 (CHEMBL3789180)	Inhibition of MAO-B (unknown origin) using MAO substrate incubated for 1 hr by MAO-Glo assay
50047300	58	ChEMBL_1565791 (CHEMBL3789176)	Inhibition of MAO-A (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins by MAO-Glo assay
50047300	59	ChEMBL_1565789 (CHEMBL3789174)	Inhibition of MAO-B (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins by MAO-Glo assay
50047300	60	ChEMBL_1565785 (CHEMBL3789170)	Inhibition of GST-tagged KDM1A (unknown origin) expressed in Escherichia coli BL21-CodonPlus-(DE3)-RIPL cells using dimethyl-Lys-4 H3-21 as substrate incubated for 20 mins by peroxidase coupled assay
50047300	61	ChEMBL_1565788 (CHEMBL3789173)	Inhibition of KDM1A (unknown origin) by peroxidase coupled assay
50047300	62	ChEMBL_1565790 (CHEMBL3789175)	Inhibition of human recombinant GST-tagged KDM1A (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS cells using biotin-H3K4me as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by TR-FRET assay
50047300	63	ChEMBL_1565802 (CHEMBL3789187)	Inhibition of human recombinant KDM1A using H3K4me2 and ADHP substrate assessed as inhibition of resorufin formation by peroxidase coupled enzyme assay
50047300	64	ChEMBL_1565796 (CHEMBL3789181)	Inhibition of human recombinant KDM1A using H3 (1 to 21 residues)-K4me2 peptide substrate by fluorescence coupling enzyme assay
50047300	65	ChEMBL_1565797 (CHEMBL3789182)	Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me peptide substrate preincubated for 15 mins followed substrate addition measured after 12 mins by peroxidase coupled enzyme assay
50047300	66	ChEMBL_1565798 (CHEMBL3789183)	Inhibition of human recombinant MAO-A expressed in Pichia pastoris preincubated for 15 mins followed by substrate addition measured after 30 mins by MAO-Glo assay
50047300	67	ChEMBL_1565799 (CHEMBL3789184)	Inhibition of human recombinant MAO-B expressed in Pichia pastoris preincubated for 15 mins followed by substrate addition measured after 30 mins by MAO-Glo assay
50047300	68	ChEMBL_1565783 (CHEMBL3789168)	Inhibition of recombinant human N-terminal GST-tagged KDM1A expressed in Escherichia coli using H3K4me2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by peroxidase coupled enzyme assay
50047300	70	ChEMBL_1565800 (CHEMBL3789185)	Inhibition of human recombinant MAO-A using 3-(2-Aminophenyl)-3-oxopropanamine as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence microplate reader analysis
50047300	71	ChEMBL_1565801 (CHEMBL3789186)	Inhibition of human recombinant MAO-B using 3-(2-Aminophenyl)-3-oxopropanamine as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence microplate reader analysis
50047300	72	ChEMBL_1565803 (CHEMBL3789188)	Inhibition of full length human KDM1A expressed in Escherichia coli using biotin-H3K4me1 as substrate incubated for 1 hr by TR-FRET assay
50047300	73	ChEMBL_1565804 (CHEMBL3789189)	Inhibition of KDM1A in human THP1 cells assessed as inhibition of CD11b expressing cells incubated for 4 days by DAPI staining based flow cytometry
50047300	74	ChEMBL_1565805 (CHEMBL3789190)	Inhibition of human N-terminal KDM1A (151 to 852 residues) using H3 (l to 21 residues)-K4me2 peptide substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by peroxidase coupled enzyme assay
50047300	75	ChEMBL_1565806 (CHEMBL3789413)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by peroxidase coupled enzyme assay
50047300	76	ChEMBL_1565807 (CHEMBL3789414)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by peroxidase coupled enzyme assay
50047300	77	ChEMBL_1566027 (CHEMBL3791185)	Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me as substrate by peroxidase coupled enzyme assay
50047300	78	ChEMBL_1566028 (CHEMBL3791186)	Inhibition of human recombinant His-tagged KDM1A (171 to 836 residues) using H3K4me2 as substrate by peroxidase coupled enzyme assay
50047300	79	ChEMBL_1566029 (CHEMBL3791187)	Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate preincubated for 15 mins measured after 30 mins by FDH coupled enzyme assay
50047300	80	ChEMBL_1566030 (CHEMBL3791188)	Inhibition of human N-terminal His6-tagged KDM4E catalytic domain (1 to 337 residues) expressed in Escherichia coli using ARK(me3)STGGK as substrate preincubated for 15 mins measured after 30 mins by MALDI-TOF mass spectrometric analysis
50047300	81	ChEMBL_1566031 (CHEMBL3791189)	Inhibition of human Flag-tagged KDM4A expressed in human HeLa cells assessed as increase in H3K9me3 level after 24 hrs by DAPI staining based immunofluorescence assay
50047300	82	ChEMBL_1566032 (CHEMBL3791190)	Inhibition of KDM4C (unknown origin) using H3K9me3 as substrate after 24 hrs by alphascreen assay
50047300	83	ChEMBL_1566033 (CHEMBL3791191)	Inhibition of KDM4E (unknown origin) after 24 hrs by alphascreen assay
50047300	84	ChEMBL_1566034 (CHEMBL3791192)	Inhibition of KDM2A (unknown origin) after 24 hrs by alphascreen assay
50047300	85	ChEMBL_1566035 (CHEMBL3791193)	Inhibition of KDM3A (unknown origin) after 24 hrs by alphascreen assay
50047300	86	ChEMBL_1566036 (CHEMBL3791194)	Inhibition of KDM5C (unknown origin) after 24 hrs by alphascreen assay
50047300	87	ChEMBL_1566037 (CHEMBL3791195)	Inhibition of KDM6B (unknown origin) after 24 hrs by alphascreen assay
50047300	88	ChEMBL_1566038 (CHEMBL3791196)	Inhibition of PHD2 catalytic domain (unknown origin) after 24 hrs by alphascreen assay
50047301	1	ChEMBL_1566350 (CHEMBL3789454)	Inhibition of Nav1.7 (unknown origin) overexpressed in HEK293 cells preincubated for 15 to 20 mins followed by depolarization with 10 to 30 uM veratridine by IX red membrane potential dye-based FLIPR assay
50047302	1	ChEMBL_1566351 (CHEMBL3789455)	Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP
50047303	1	ChEMBL_1566566 (CHEMBL3791460)	Binding affinity to partial length human BRD4 bromodomain 1 by isothermal titration calorimetry
50047303	2	ChEMBL_1566568 (CHEMBL3791462)	Binding affinity to partial length human BRD3 bromodomain 1 by isothermal titration calorimetry
50047303	3	ChEMBL_1566569 (CHEMBL3791463)	Binding affinity to partial length human BRD3 bromodomain 2 by isothermal titration calorimetry
50047303	4	ChEMBL_1566570 (CHEMBL3791464)	Binding affinity to partial length human BRPF1 by isothermal titration calorimetry
50047304	1	ChEBML_1566576	Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins by [35S]GTPgammaS binding assay
50047305	1	ChEMBL_1568623 (CHEMBL3791056)	Inhibition of human EAAT3 assessed as [3H]Asp uptake
50047305	2	ChEMBL_1568364 (CHEMBL3789017)	Agonist activity at human mGlu7 receptor expressed in HEK293 assessed as inhibition of forskolin stimulated cAMP production
50047305	3	ChEMBL_1568363 (CHEMBL3789016)	Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as inhibition of forskolin stimulated cAMP production
50047305	4	ChEMBL_1568362 (CHEMBL3789015)	Agonist activity at rat mGlu3 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay
50047305	5	ChEMBL_1568359 (CHEMBL3789012)	Agonist activity at rat mGlu1 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay
50047305	6	ChEMBL_1568360 (CHEMBL3789013)	Agonist activity at rat mGlu5 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay
50047305	7	ChEMBL_1568361 (CHEMBL3789014)	Agonist activity at rat mGlu2 receptor expressed in HEK293 cells by [35S]GTP-gamma binding assay
50047305	8	ChEMBL_1568366 (CHEMBL3789019)	Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	9	ChEMBL_1568367 (CHEMBL3789020)	Agonist activity at rat mGlu5 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	10	ChEMBL_1568368 (CHEMBL3789021)	Agonist activity at rat mGlu2 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	11	ChEMBL_1568370 (CHEMBL3789023)	Agonist activity at rat mGlu4 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	12	ChEMBL_1568371 (CHEMBL3789024)	Agonist activity at rat mGlu6 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	13	ChEMBL_1568372 (CHEMBL3789025)	Agonist activity at rat mGlu7 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	14	ChEMBL_1568373 (CHEMBL3789026)	Agonist activity at rat mGlu8 receptor expressed in HEK293 cells assessed as IP1 accumulation by IP-One functional assay
50047305	15	ChEMBL_1568614 (CHEMBL3791047)	Agonist activity at rat mGlu2 receptor by FRET based mGlu sensor assay
50047305	16	ChEMBL_1568615 (CHEMBL3791048)	Agonist activity at rat mGlu3 receptor by FRET based mGlu sensor assay
50047305	17	ChEMBL_1568619 (CHEMBL3791052)	Inhibition of human EAAT1 assessed as [3H]Asp uptake
50008737	2	ChEMBL_36115 (CHEMBL648080)	In vitro agonistic activity against human androgen receptor (hAR) expressed in CV-1 cells; not active
50047305	18	ChEMBL_1568621 (CHEMBL3791054)	Inhibition of human EAAT2 assessed as [3H]Asp uptake
50047306	1	ChEMBL_1568945 (CHEMBL3789064)	Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization by bioluminescence assay
50047306	2	ChEMBL_1568946 (CHEMBL3789065)	Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analysis
50047306	3	ChEMBL_1568947 (CHEMBL3789066)	Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting
50047306	4	ChEMBL_1568948 (CHEMBL3789067)	Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29 cells after 2 hrs by liquid scintillation counting
50047306	5	ChEMBL_1568949 (CHEMBL3789068)	Binding affinity to human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting
50047306	6	ChEMBL_1568950 (CHEMBL3789069)	Binding affinity to NTSR1 in human HT-29 cells after 2 hrs by liquid scintillation counting
50047306	7	ChEMBL_1568951 (CHEMBL3789070)	Binding affinity to NTSR1 in human HT-29 cells after 2 hrs by liquid scintillation counting in presence of NTSR2 ligand (S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)-N-(4-hydroxyphenethyl)pyrrolidine-2-carboxamido)acetamido)-3-methylpentanamido)-4-methylpentanoic acid
50047306	8	ChEMBL_1569158 (CHEMBL3791104)	Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from human NTSR1 transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting
50047306	9	ChEMBL_1569165 (CHEMBL3791111)	Binding affinity to human NTSR1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ after 2 hrs by liquid scintillation counting
50047306	10	ChEMBL_1569166 (CHEMBL3791112)	Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes
50047306	11	ChEMBL_1569167 (CHEMBL3791113)	Displacement of [3H]EYE from human NPFF2 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrophotometric counting
50047306	12	ChEMBL_1569168 (CHEMBL3791114)	Displacement of S0586[K4]hpp from human NPY4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ by flow cytometric analysis
50047306	13	ChEMBL_1569164 (CHEMBL3791110)	Binding affinity to human NPFF2 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrophotometric counting
50047306	14	ChEMBL_1569159 (CHEMBL3791105)	Displacement of [3H]-Angiotensin 2 from human AT1 receptor transfected in CHOK1 cells preincubated for 30 mins with bovine serum albumin followed by radioligand addition by liquid scintillation counting
50047306	15	ChEMBL_1569170 (CHEMBL3791116)	Displacement of [3H]-Angiotensin 2 from AT1 receptor in human PLC/PRF/5 cells after 20 mins by liquid scintillation counting
50047306	16	ChEMBL_1569171 (CHEMBL3791117)	Displacement of [3H]-Angiotensin 2 from human placental AT1 receptor expressed in African green monkey COS7 cell membranes after 90 mins by gamma counting
50047307	1	ChEBML_1569184	Displacement of [3H]ZM241385 from human Adenosine A2A receptor expressed in HeLa cells after 30 mins
50047307	2	ChEBML_1569186	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins
50047304	7	ChEMBL_1566629 (CHEMBL3791744)	Displacement of [125I]Tyr13-MCH from human MCHR1 expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis
50047304	5	ChEMBL_1566578 (CHEMBL3791472)	Inhibition of human ERG by IonWork assay
50047304	2	ChEMBL_1566604 (CHEMBL3791498)	Inhibition of histamine H3 receptor (unknown origin)
50047304	3	ChEMBL_1566577 (CHEMBL3791471)	Displacement of [125I]Tyr13-MCH from MCHR1 (unknown origin) expressed in CHO cell membranes after 60 mins by microbeta scintillation counting analysis
50047304	8	ChEMBL_1566576 (CHEMBL3791470)	Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins by [35S]GTPgammaS binding assay
50047304	6	ChEMBL_1566584 (CHEMBL3791478)	Displacement of [125I]Tyr13-MCH from mouse MCHR1 after 60 mins by microbeta scintillation counting analysis
50047304	4	ChEMBL_1566621 (CHEMBL3791736)	Antagonist activity at human MCHR2 expressed in CHO cells after 60 to 75 mins by FLIPR assay
50047308	1	ChEMBL_1566936 (CHEMBL3790960)	Inhibition of EGF-stimulated wild type EGFR autophosphorylation expressed in human A549 cells by sandwich ELISA
50047308	2	ChEMBL_1566937 (CHEMBL3790961)	Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells after 2 hrs by sandwich ELISA
50047308	3	ChEMBL_1566932 (CHEMBL3790712)	Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis
50047308	4	ChEMBL_1566945 (CHEMBL3790969)	Inhibition of EGFR deletion/T790M mutant autophosphorylation in human PC9-DRH cells after 2 hrs by sandwich ELISA
50047308	5	ChEMBL_1566946 (CHEMBL3790970)	Inhibition of EGFR L858R mutant autophosphorylation in human H3255 cells after 2 hrs by sandwich ELISA
50047308	6	ChEMBL_1566941 (CHEMBL3790965)	Inhibition of EGFR deletion mutant autophosphorylation in human PC9 cells after 2 hrs by sandwich ELISA
50047308	7	ChEMBL_1566942 (CHEMBL3790966)	Inhibition of EGFR deletion mutant autophosphorylation in human HCC827 cells after 2 hrs by sandwich ELISA
50047308	8	ChEMBL_1566927 (CHEMBL3790707)	Reversible binding affinity to human wild type EGFR expressed in baculovirus by fluorometric analysis
50047308	9	ChEMBL_1566930 (CHEMBL3790710)	Inhibition of dofetilide binding to human ERG
50047309	1	ChEMBL_1567255 (CHEMBL3788712)	Activation of GPR109A in human A431 cells assessed as suppression of forskolin-induced cAMP production after 30 mins
50047309	2	ChEMBL_1567262 (CHEMBL3788940)	Inhibition of SREBP2 in human HepG2 cells assessed as reduction of PCSK9 secretion after 16 hrs by ELISA
50047307	11	ChEMBL_1569177 (CHEMBL3791123)	Displacement of [125I]IABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs
50047307	6	ChEMBL_1569179 (CHEMBL3791362)	Displacement of 3H-ZM214385 from human Adenosine A2B receptor expressed in HEK293 cells after 90 mins
50047307	8	ChEMBL_1569175 (CHEMBL3791121)	Displacement of [3H]DPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs
50047307	4	ChEMBL_1569174 (CHEMBL3791120)	Displacement of [125I]-ABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs
50047307	12	ChEMBL_1569186 (CHEMBL3791369)	Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins
50047307	5	ChEMBL_1569180 (CHEMBL3791363)	Displacement of [3H]OSIP339391 from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins
50047307	7	ChEMBL_1569176 (CHEMBL3791122)	Displacement of [3H]ZM241385 from human recombinant Adenosine A2B receptor
50047307	9	ChEMBL_1569178 (CHEMBL3791124)	Displacement of [3H] DPCPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins
50047307	10	ChEMBL_1569188 (CHEMBL3791371)	Displacement of [3H]NECA from human Adenosine A3 receptor expressed in HeLa cells after 30 mins
50047307	3	ChEMBL_1569182 (CHEMBL3791365)	Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells after 60 mins
50047310	1	ChEMBL_1569203 (CHEMBL3791386)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol mediated current amplitude at +80 mV holding potential by whole cell patch-clamp assay
50047310	2	ChEMBL_1569201 (CHEMBL3791384)	Agonist activity at rat TRPM8 expressed in HEK293 cells assessed as increase in current amplitude at +80 mV holding potential by whole cell patch-clamp assay
50047311	1	ChEBML_1569467	Inhibition of mouse WT RIP1 transfected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA
50047311	14	ChEBML_1569452	Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay
50047311	2	ChEBML_1569467	Inhibition of mouse WT RIP1 transfected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA
50047311	32	ChEMBL_1569456 (CHEMBL3789118)	Binding affinity to mouse RIP1 (1 to 378 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay
50047311	3	ChEMBL_1569466 (CHEMBL3789354)	Inhibition of human WT RIP1 infected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA
50047311	4	ChEBML_1569467	Inhibition of mouse WT RIP1 transfected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA
50047311	5	ChEBML_1569442	Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay
50047311	12	ChEBML_1569442	Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay
50047311	7	ChEMBL_1569443 (CHEMBL3789105)	Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay
50047311	22	ChEMBL_1569444 (CHEMBL3789106)	Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence assay
50047279	5	ChEMBL_1568746 (CHEMBL3791911)	Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay
50047279	4	ChEMBL_1568745 (CHEMBL3791910)	Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay
50047312	1	ChEMBL_1569538 (CHEMBL3789894)	Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition measured after 2 hrs by FLIPR assay
50047313	7	ChEMBL_1569545 (CHEMBL3789901)	Positive allosteric modulatory activity at human mGlu1 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calcium mobilization pre-incubated for 2.5 mins before glutamate stimulation for 1 min
50047313	2	ChEBML_1569567	Positive allosteric modulatory activity at human mGlu4 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calcium mobilization pre-incubated for 2.5 mins before glutamate stimulation for 1 min
50047313	1	ChEBML_1569545	Positive allosteric modulatory activity at human mGlu1 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calcium mobilization pre-incubated for 2.5 mins before glutamate stimulation for 1 min
50047313	3	ChEBML_1569563	Inhibition of CYP34A (unknown origin)
50047313	4	ChEBML_1569564	Inhibition of CYP1A2 (unknown origin)
50047313	5	ChEBML_1569565	Inhibition of CYP2C9 (unknown origin)
50047313	6	ChEBML_1569566	Inhibition of CYP2D6 (unknown origin)
50047311	13	ChEMBL_1569451 (CHEMBL3789113)	Binding affinity to Flag-tagged human RIP1 (1 to 324 residues) at 10 uM after 30 mins by fluorescence polarization assay
50047311	31	ChEMBL_1569465 (CHEMBL3789353)	Inhibition of mouse RIP1 in mouse L929 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis by Cell titer-Glo luminescence assay
50047311	9	ChEMBL_1569442 (CHEMBL3789104)	Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay
50047311	29	ChEMBL_1569452 (CHEMBL3789114)	Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay
50047311	28	ChEMBL_1569449 (CHEMBL3789111)	Competitive inhibition of human RIP1 (1 to 375 residues) in presence of increasing ATP by ADP-Glo reagent based assay
50047314	1	ChEMBL_1569712 (CHEMBL3791417)	Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment incubated for 4 hrs by chemiluminescence-based microplate reader method
50047314	3	ChEMBL_1569705 (CHEMBL3791410)	Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay
50047314	2	ChEBML_1569710	Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment incubated for 4 hrs by chemiluminescence-based microplate reader method
50047314	4	ChEMBL_1569710 (CHEMBL3791415)	Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment incubated for 4 hrs by chemiluminescence-based microplate reader method
50047315	1	ChEMBL_1569740 (CHEMBL3791684)	Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells
50047315	2	ChEMBL_1569741 (CHEMBL3791685)	Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells
50047315	3	ChEMBL_1569742 (CHEMBL3791686)	Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells
50047315	4	ChEMBL_1569743 (CHEMBL3791687)	Displacement of [3H]AMPA from recombinant rat GluA4 receptor flop isoform expressed in sf9 insect cells
50047315	5	ChEMBL_1569974 (CHEMBL3789122)	Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells
50047315	6	ChEMBL_1569975 (CHEMBL3789123)	Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells
50047315	7	ChEMBL_1569976 (CHEMBL3789124)	Agonist activity at recombinant rat GluA1 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50047315	8	ChEMBL_1569977 (CHEMBL3789125)	Agonist activity at recombinant rat GluA1 receptor flop isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50047315	9	ChEMBL_1569978 (CHEMBL3789126)	Agonist activity at recombinant rat GluA2(Q) receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50047315	10	ChEMBL_1569979 (CHEMBL3789127)	Agonist activity at recombinant rat GluA3 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50047315	11	ChEMBL_1569980 (CHEMBL3789128)	Agonist activity at recombinant rat GluA4 receptor flip isoform expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50047316	1	ChEMBL_1569991 (CHEMBL3789139)	Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50010705	3	ChEMBL_141190 (CHEMBL750687)	Inhibition of mammalian H-Ras processing in NIH 3T3 cells
50010805	15	ChEMBL_81992 (CHEMBL691554)	Inhibition of immobilized HUVEC adhesion on vitronectin
50010805	21	ChEMBL_81989 (CHEMBL691551)	Inhibition of immobilized HUVEC adhesion on fibrinogen
50047316	2	ChEMBL_1569997 (CHEMBL3789145)	Inhibition of human ERG
50047316	3	ChEMBL_1569998 (CHEMBL3789146)	Binding affinity to dopamine receptor (unknown origin)
50047316	4	ChEMBL_1569999 (CHEMBL3789147)	Binding affinity to Cannabinoid receptor (unknown origin)
50047316	5	ChEMBL_1570012 (CHEMBL3789160)	Binding affinity to 5-HT receptor (unknown origin)
50047317	1	ChEBML_1565814	Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA based competition assay
50047317	6	ChEMBL_1565814 (CHEMBL3789421)	Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA based competition assay
50047317	5	ChEMBL_1565816 (CHEMBL3789423)	Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)-6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1H-indole-2-carbonyl)sulfamoyl)furan-2-carboxylic acid from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA assay
50047317	2	ChEMBL_1565813 (CHEMBL3789420)	Binding affinity to N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) in presence of 6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1H-indole-2-carboxylic acid by 1H/15N HSQC NMR method
50047317	4	ChEMBL_1565815 (CHEMBL3789422)	Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs in presence of 1% FBS by FPA based competition assay
50047317	3	ChEMBL_1565819 (CHEMBL3789426)	Binding affinity to Bcl-xL (unknown origin) after 1.5 hrs by FPA assay
50047318	1	ChEMBL_1565822 (CHEMBL3789429)	Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed in insect cells preincubated for 15 mins followed by addition of cold ATP/gamma32P-ATP measured after 15 mins in presence of MgCl2
50047318	2	ChEMBL_1565823 (CHEMBL3789430)	Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma32P-ATP measured after 20 mins in presence of MgCl2
50047318	3	ChEMBL_1565824 (CHEMBL3789431)	Inhibition of GST-tagged recombinant human full length VPS34 expressed in baculovirus preincubated for 15 mins followed by addition of cold ATP/gamma32P-ATP measured after 1 hr in presence of MnCl2
50047318	4	ChEMBL_1565836 (CHEMBL3789699)	Inhibition of N-terminal GST-tagged recombinant human full length PI3KC2gamma expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by addition of cold ATP/gamma32P-ATP measured after 15 mins
50047318	5	ChEMBL_1565837 (CHEMBL3789700)	Inhibition of N-terminal histidine6-tagged recombinant human full length PI3Kalpha expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by addition of cold ATP/gamma32P-ATP measured after 15 mins
50047319	1	ChEMBL_1565849 (CHEMBL3789712)	Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 2.5 mins by Ellman's spectrophotometric method
50047319	2	ChEMBL_1565850 (CHEMBL3789713)	Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 2.5 mins by Ellman's spectrophotometric method
50047319	3	ChEMBL_1565848 (CHEMBL3789711)	Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's spectrophotometric method
50047319	4	ChEMBL_1565847 (CHEMBL3789710)	Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 2.5 mins by Ellman's spectrophotometric method
50047319	5	ChEMBL_1565846 (CHEMBL3789709)	Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's spectrophotometric method
50047320	1	ChEMBL_1566102 (CHEMBL3791986)	Inhibition of FAAH in mouse brain membrane using [13C]oleamide as substrate by LC-MS analysis
50047320	2	ChEMBL_1566101 (CHEMBL3791985)	Inhibition of FAAH in rat brain membranes using using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine production incubated for 30 mins by scintillation counting method
50047320	3	ChEMBL_1566100 (CHEMBL3791984)	Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as reduction in [14C]ethanolamine production incubated for 30 mins by scintillation counting method
50047320	4	ChEMBL_1566099 (CHEMBL3791727)	Inhibition of rat MAGL
50047320	5	ChEMBL_1566098 (CHEMBL3791726)	Inhibition of human MAGL expressed in African green monkey COS cells using 2-arachidonoyl-[3H]-glycerol as substrate incubated for 20 mins by scintillation counting method
50047320	6	ChEMBL_1566097 (CHEMBL3791725)	Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate incubated for 20 mins by scintillation counting method
50047320	7	ChEMBL_1566107 (CHEMBL3791991)	Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins
50047320	8	ChEMBL_1566108 (CHEMBL3791992)	Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50047320	9	ChEMBL_1566109 (CHEMBL3791993)	Inhibition of recombinant C-terminal His6-tagged human MAGL expressed in Escherichia coli using 2-arachidonoyl-[3H]-glycerol as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by scintillation counting method
50047320	10	ChEMBL_1566110 (CHEMBL3791994)	Inhibition of MAGL in rat brain membranes preincubated for 20 mins followed by fluorophosphonate-rhodamine addition measured after 30 mins by competitive affinity based proteomic profiling assay
50047321	1	ChEMBL_1566974 (CHEMBL3791236)	Displacement of [125I]23 from PSMA in human LNCAP cells
50047322	1	ChEMBL_1567292 (CHEMBL3788970)	Inhibition of telomerase in human MGC-803 cells after 24 hrs by TRAP-PCR-ELISA assay
50047322	2	ChEMBL_1567294 (CHEMBL3788972)	Inhibition of human telomerase
50047297	8	ChEBML_1566145	Inhibition of recombinant human TC-PTP expressed in Escherichia coli TB1
50047297	7	ChEMBL_1566144 (CHEMBL3787813)	Inhibition of recombinant human PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate
50047297	9	ChEBML_1566146	Inhibition of recombinant human LMW-PTP isoform 1 expressed in Escherichia coli TB1
50047297	6	ChEMBL_1566147 (CHEMBL3787816)	Inhibition of recombinant human LMW-PTP isoform 2 expressed in Escherichia coli TB1
50047297	5	ChEMBL_1566146 (CHEMBL3787815)	Inhibition of recombinant human LMW-PTP isoform 1 expressed in Escherichia coli TB1
50047323	2	ChEMBL_1569809 (CHEMBL3792248)	Agonist activity at PPAR delta (unknown origin)
50047323	4	ChEMBL_1569581 (CHEMBL3790254)	Agonist activity at PPAR delta (unknown origin) transfected in HEK293 cells after 24 hrs by dual-luciferase reporter gene assay
50047324	9	ChEMBL_1569848 (CHEMBL3788053)	Negative allosteric modulation of rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mobilization assay
50047324	1	ChEBML_1569846	Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mobilization assay
50047324	10	ChEMBL_1569846 (CHEMBL3788051)	Negative allosteric modulation of rat mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mobilization assay
50047324	2	ChEBML_1569848	Negative allosteric modulation of rat mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate induced calcium mobilization by calcium mobilization assay
50047324	7	ChEMBL_1569844 (CHEMBL3788049)	Negative allosteric modulation activity at recombinant human mGluR1a expressed in CHO cells assessed as inhibition of L-glutamate-induced intracellular Ca2+ mobilization
50047324	3	ChEBML_1570110	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH
50047324	4	ChEBML_1570111	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH
50047324	5	ChEBML_1570112	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH
50047324	6	ChEBML_1570113	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH
50047297	4	ChEMBL_1566145 (CHEMBL3787814)	Inhibition of recombinant human TC-PTP expressed in Escherichia coli TB1
50047325	5	ChEMBL_1566421 (CHEMBL3790041)	Inhibition of human ERG
50047324	8	ChEMBL_1569845 (CHEMBL3788050)	Negative allosteric modulation activity at recombinant human mGluR5a expressed in CHO cells assessed as inhibition of L-glutamate-induced intracellular Ca2+ mobilization
50047326	1	ChEMBL_1565959 (CHEMBL3790643)	Inhibition of bovine beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by addition of p-nitrophenyl-beta-D-glucuronide by spectrophotometric analysis
50047327	1	ChEMBL_1566184 (CHEMBL3788090)	Inhibition of wild type HIV1 Reverse transcriptase assessed as reduction of biotin deoxyuridine triphosphate incorporation into the wild type HIV1 reverse transcriptase after 1 hr by ELISA
50047328	1	ChEMBL_1566186 (CHEMBL3788092)	Inhibition of human recombinant dihydrofolate reductase using dihydrofolate as substrate measured every 30 secs over 6 mins by UV/visible spectrophotometer in presence of NADPH
50047329	1	ChEBML_1566194	Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes
50047280	2	ChEMBL_1571980 (CHEMBL3796508)	Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate
50047329	3	ChEMBL_1566194 (CHEMBL3788335)	Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes
50047325	3	ChEMBL_1566418 (CHEMBL3790038)	Inhibition of human Kv1.5 channel by Rb-flux assay
50047325	2	ChEMBL_1566417 (CHEMBL3790037)	Inhibition of human Kv1.5 channel by QPatch-clamp method
50047325	4	ChEMBL_1566423 (CHEMBL3790043)	Inhibition of CYP3A4 (unknown origin)
50047330	1	ChEMBL_1566729 (CHEMBL3788101)	Inhibition of recombinant human DAAO assessed as oxidative deamination of D-serine in presence of molecular oxygen and FAD after 20 mins
50047331	1	ChEMBL_1566741 (CHEMBL3788113)	Antagonist activity against androgen receptor (unknown origin)
50047332	1	ChEMBL_1567337 (CHEMBL3789477)	Inhibition of chymotrypsin like activity of human erythrocyte-derived 20S proteasome preincubated for 10 mins using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
50047332	2	ChEMBL_1567341 (CHEMBL3789481)	Inhibition of chymotrypsin like activity of human 20S proteasome using ZGlyGlyLeuAMC/SucLeuLeuValTyrAMC as substrate measured every minute for 25 mins by fluorescence assay
50047333	1	ChEMBL_1567342 (CHEMBL3789482)	Inhibition of EGFR L858R / T790M double mutant phosphorylation in human NCI-H1975 cells after 1 hr by Western blot analysis
50047333	2	ChEMBL_1567355 (CHEMBL3789495)	Inhibition of wild type EGFR phosphorylation in human LoVo cells preincubated for 2 hrs followed by EGF stimulation measured after 30 mins by ELISA
50047333	3	ChEMBL_1567366 (CHEMBL3789506)	Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells assessed as suppression of cell proliferation
50047333	4	ChEMBL_1567367 (CHEMBL3789507)	Inhibition of EGFR L858R mutant in human H3255 cells assessed as suppression of cell proliferation
50047333	5	ChEMBL_1567368 (CHEMBL3789508)	Inhibition of EGFR Del ex19 mutant in human HCC827 cells assessed as suppression of cell proliferation
50047333	6	ChEMBL_1567369 (CHEMBL3789747)	Inhibition of EGFR Del ex19 mutant in human PC9 cells assessed as suppression of cell proliferation
50047333	7	ChEMBL_1567370 (CHEMBL3789748)	Inhibition of EGFR Del ex19/T790M double mutant in human PC9 cells assessed as suppression of cell proliferation
50047333	8	ChEMBL_1567373 (CHEMBL3789751)	Inhibition of wild type EGFR in human NCI-H1666 cells assessed as suppression of cell proliferation
50047333	9	ChEMBL_1567353 (CHEMBL3789493)	Inhibition of EGFR Del ex19 mutant phosphorylation in human PC9 cells preincubated for 2 hrs by ELISA
50047333	10	ChEMBL_1567354 (CHEMBL3789494)	Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs by ELISA
50047333	11	ChEMBL_1567345 (CHEMBL3789485)	Inhibition of EGFR Del ex19 mutant phosphorylation in human HCC827 cells after 1 hr by Western blot analysis
50047333	12	ChEMBL_1567346 (CHEMBL3789486)	Inhibition of EGFR Del ex19 mutant phosphorylation in human PC9 cells after 1 hr by Western blot analysis
50047333	13	ChEMBL_1567347 (CHEMBL3789487)	Inhibition of wild type EGFR phosphorylation in human A431 cells after 1 hr by Western blot analysis
50047333	14	ChEMBL_1567348 (CHEMBL3789488)	Inhibition of wild type EGFR phosphorylation in human H1299 cells after 1 hr by Western blot analysis
50047333	15	ChEMBL_1567349 (CHEMBL3789489)	Inhibition of wild type EGFR phosphorylation in human NCI-H358 cells after 1 hr by Western blot analysis
50047334	1	ChEBML_1567376	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047262	4	ChEMBL_1567106 (CHEMBL3792084)	Inhibition of recombinant c-MET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50047280	10	ChEMBL_1571977 (CHEMBL3796505)	Binding affinity to HDAC4 catalytic domain (unknown origin) by surface plasmon resonance assay
50047280	21	ChEMBL_1571859 (CHEMBL3796125)	Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate
50047265	5	ChEMBL_1572016 (CHEMBL3796544)	Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay
50047266	3	ChEBML_1570461	Inhibition of Pim2 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047266	4	ChEBML_1570460	Inhibition of Pim1 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047268	3	ChEMBL_1572537 (CHEMBL3796469)	Inhibition of human recombinant MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis
50047268	4	ChEMBL_1572538 (CHEMBL3796470)	Inhibition of human recombinant MMP9 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorimetric analysis
50013098	2	ChEBML_51071	Inhibition of farnesylation of H-Ras in DLD-1 cells
50047335	1	ChEMBL_1570295 (CHEMBL3795271)	Inhibition of bovine seminal vesicle COX uing [1-14C]PGH2 as substrate by TLC/liquid scintillation spectrometry method
50047336	1	ChEMBL_1570319 (CHEMBL3795295)	Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP
50014627	7	ChEMBL_70774 (CHEMBL681992)	Inhibition of human A431 cell adhesion to fibronectin
50014627	6	ChEMBL_70775 (CHEMBL681993)	Inhibition of human HT1080 cell adhesion to fibronectin
50014627	5	ChEMBL_70776 (CHEMBL681994)	Inhibition of human HeLa cell adhesion to fibronectin
50047336	2	ChEMBL_1570318 (CHEMBL3795294)	Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP
50047336	3	ChEMBL_1570323 (CHEMBL3795299)	Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 1 uM ATP
50047336	4	ChEMBL_1570324 (CHEMBL3795300)	Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 1 uM ATP
50047337	1	ChEMBL_1570328 (CHEMBL3795347)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide substrate incubated for 1 hr by TR-FRET assay
50047337	2	ChEMBL_1570329 (CHEMBL3795348)	Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate incubated for 60 mins by Kinase-Glo luminescent kinase assay
50047337	3	ChEMBL_1570330 (CHEMBL3795349)	Inhibition of c-Met kinase (unknown origin) using FAM-labelled peptide substrate incubated for 10 mins by mobility shift assay
50047278	3	ChEMBL_1571956 (CHEMBL3796414)	Inhibition of SERT in rat striatal synaptosomes assessed as reduction of [3H]5-HT uptake preincubated for 5 mins followed by [3H]5-HT addition measured after 10 mins by liquid scintillation spectrometric method
50047278	2	ChEMBL_1571955 (CHEMBL3796413)	Inhibition of DAT in rat striatal synaptosomes assessed as reduction of [3H]dopamine uptake preincubated for 5 mins followed by [3H]dopamine addition measured after 10 mins by liquid scintillation spectrometric method
50047278	4	ChEMBL_1571954 (CHEMBL3796412)	Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric method
50047338	1	ChEMBL_1571962 (CHEMBL3796420)	Inverse agonist activity at human ROR-beta transfected in HEK293T cells by Gal4 luciferase reporter gene assay
50047338	2	ChEMBL_1571961 (CHEMBL3796419)	Inverse agonist activity at human ROR-alpha transfected in HEK293T cells by Gal4 luciferase reporter gene assay
50047338	3	ChEMBL_1571960 (CHEMBL3796418)	Inverse agonist activity at human ROR-gamma transfected in HEK293T cells by Gal4 luciferase reporter gene assay
50047338	4	ChEMBL_1571959 (CHEMBL3796417)	Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator TRAP220 interaction by FRET assay
50047339	1	ChEMBL_1571975 (CHEMBL3796433)	Inhibition of ROCK-1 (unknown origin)
50047339	2	ChEMBL_1571974 (CHEMBL3796432)	Inhibition of ROCK-2 (unknown origin)
50047339	3	ChEMBL_1571972 (CHEMBL3796430)	Inhibition of human ROCK-2 using S6 peptide as substrate after 5 mins in presence of [gamma-32P]-ATP
50047334	3	ChEMBL_1567377 (CHEMBL3789755)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047334	4	ChEMBL_1567376 (CHEMBL3789754)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047340	1	ChEMBL_1567885 (CHEMBL3789280)	Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate
50047340	2	ChEMBL_1567671 (CHEMBL3792099)	Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay
50047340	3	ChEMBL_1567886 (CHEMBL3789281)	Competitive inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate
50047341	1	ChEMBL_1567889 (CHEMBL3789511)	Inhibition of BTK (unknown origin)
50047342	2	ChEMBL_1567906 (CHEMBL3789528)	Inhibition of PDE4D (unknown origin) preincubated for 5 mins followed by cAMP addition measured after 15 mins by PDE-Glo phosphodiesterase assay
50047329	4	ChEMBL_1566191 (CHEMBL3788097)	Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated for 10 mins followed by acetylcholine addition by patch clamp electrophysiological assay
50047329	5	ChEMBL_1566193 (CHEMBL3788099)	Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes in presence of alpha7 nAChR positive allosteric modulator PNU-120596
50047343	1	ChEBML_1566200	Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay
50047343	2	ChEMBL_1566201 (CHEMBL3788342)	Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay
50047343	3	ChEMBL_1566200 (CHEMBL3788341)	Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay
50047344	1	ChEMBL_1566203 (CHEMBL3788344)	Displacement of [125I]-Ang II from Angiotensin 2 type-1A receptor in rat vascular smooth muscle cells after 150 mins by gamma counting method
50047345	2	ChEMBL_1566481 (CHEMBL3790658)	Inhibition of full-length human recombinant CETP expressed in CHO cells by BODIPY-CE fluorescence assay
50047345	1	ChEMBL_1566487 (CHEMBL3790664)	Inhibition of CETP in rabbit serum assessed as exchange of [3H]-cholesteryl ester between labeled HDL to unlabeled LDL preincubated for 4 hrs followed by addition of [3H]cholesteryl ester-labeled HDL and unlabelled LDL measured after 16 hrs by liquid scintillation counting assay
50047346	1	ChEMBL_1567128 (CHEMBL3787885)	Inhibition of human recombinant GST tagged IKK2 expressed in baculovirus using Ser/Thr05 peptide as substrate after 60 mins by Z-LYTE assay
50047347	2	ChEMBL_1567130 (CHEMBL3787887)	Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in presence of [gamma33P]ATP
50047347	3	ChEMBL_1567129 (CHEMBL3787886)	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate
50047347	1	ChEBML_1567129	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate
50047348	1	ChEBML_1567392	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay
50047348	3	ChEMBL_1567393 (CHEMBL3789771)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay
50047348	5	ChEBML_1567397	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells after 60 mins by liquid scintillation counting method
50047348	7	ChEBML_1567395	Antagonist activity at human NOP receptor expressed in HEK293 cells assessed as inhibition of N/OFQ-induced [35S]GTPgammaS binding after 1.5 hrs by scintillation proximity assay
50047348	6	ChEBML_1567393	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHOK1 cells after 45 mins by scintillation proximity assay
50047348	4	ChEMBL_1567395 (CHEMBL3789773)	Antagonist activity at human NOP receptor expressed in HEK293 cells assessed as inhibition of N/OFQ-induced [35S]GTPgammaS binding after 1.5 hrs by scintillation proximity assay
50047348	2	ChEMBL_1567397 (CHEMBL3789775)	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells after 60 mins by liquid scintillation counting method
50047348	8	ChEMBL_1567392 (CHEMBL3789770)	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay
50047349	1	ChEMBL_1567404 (CHEMBL3790087)	Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
50047349	2	ChEMBL_1567405 (CHEMBL3790088)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
50047349	3	ChEMBL_1567400 (CHEMBL3789778)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis
50047349	4	ChEMBL_1567399 (CHEMBL3789777)	Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis
50047349	5	ChEMBL_1567401 (CHEMBL3789779)	Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50047349	6	ChEMBL_1567402 (CHEMBL3789780)	Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis
50047349	7	ChEMBL_1567403 (CHEMBL3789781)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis
50047350	1	ChEMBL_1567442 (CHEMBL3790125)	Inhibition of human SGLT1 expressed in CHO-K1 cells assessed as reduction in [14C]AMG uptake after 120 mins by scintillation counting method
50047350	2	ChEMBL_1567441 (CHEMBL3790124)	Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]AMG uptake after 120 mins by scintillation counting method
50047351	1	ChEMBL_1567692 (CHEMBL3787907)	Inhibition of human recombinant MAO-A using kynuramine as substrate after 30 mins by fluorescence spectrophotometry
50047351	2	ChEMBL_1567694 (CHEMBL3787909)	Inhibition of human recombinant MAO-B using kynuramine as substrate after 30 mins by fluorescence spectrophotometry
50047352	1	ChEMBL_1567706 (CHEMBL3787921)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50047352	2	ChEMBL_1567711 (CHEMBL3787926)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes
50047352	3	ChEMBL_1567712 (CHEMBL3787927)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes
50047352	4	ChEMBL_1567713 (CHEMBL3787928)	Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes
50047352	5	ChEMBL_1567716 (CHEMBL3787931)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50047352	6	ChEMBL_1567710 (CHEMBL3787925)	Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50047353	1	ChEMBL_1567721 (CHEMBL3787936)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by modified Ellman's method
50047353	2	ChEMBL_1567722 (CHEMBL3787937)	Inhibition of horse serum BChE using butrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by modified Ellman's method
50047354	1	ChEMBL_1567954 (CHEMBL3789811)	Inhibition of HIV1 reverse transcriptase using 234-nt long RNA/18-mer DNA oligonucleotide as template/primer preincubated for 15 mins followed by incubation with template/primer for 40 mins by liquid scintillation counting in presence of alpha[P33]-dCTP
50047265	6	ChEMBL_1572018 (CHEMBL3796546)	Agonist activity at TGR5 in human whole blood assessed as inhibition of LPS-induced TNF-alpha release
50047266	6	ChEMBL_1570460 (CHEMBL3794687)	Inhibition of Pim1 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047356	1	ChEBML_1572135	Inhibition of human BACE1 expressed in recombinant baculovirus-infected insect cells using rhodamine conjugated APP-based EVNLDAEFK as substrate after 60 mins by FRET analysis
50047357	1	ChEBML_1572136	Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50047355	9	ChEBML_1572334	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate incubated for 90 mins by fluorescence assay
50047355	13	ChEBML_1572338	Inhibition of human HDAC10 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	12	ChEBML_1572337	Inhibition of human HDAC9 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	5	ChEBML_1572321	Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay
50047355	14	ChEBML_1572339	Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	7	ChEBML_1572322	Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay
50047355	15	ChEBML_1572330	Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	17	ChEBML_1572331	Inhibition of human recombinant C-terminal His-tagged, N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	19	ChEBML_1572333	Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	20	ChEBML_1572335	Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	22	ChEMBL_1572338 (CHEMBL3795921)	Inhibition of human HDAC10 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	23	ChEBML_1572322	Inhibition of HDAC in human HeLa cells using BOC-Ac-Lys-AMC as substrate incubated for 4 hrs by fluorescence assay
50047355	24	ChEBML_1572320	Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay
50047355	26	ChEBML_1572336	Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	27	ChEBML_1572337	Inhibition of human HDAC9 using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	10	ChEBML_1572335	Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	28	ChEBML_1572334	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate incubated for 90 mins by fluorescence assay
50047355	29	ChEBML_1572321	Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay
50047355	4	ChEBML_1572331	Inhibition of human recombinant C-terminal His-tagged, N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	16	ChEMBL_1572320 (CHEMBL3795851)	Inhibition of HDAC in human HeLa nuclear extract using BOC-Ac-Lys-AMC as substrate incubated for 90 mins by fluorescence assay
50047355	30	ChEMBL_1572332 (CHEMBL3795915)	Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	21	ChEMBL_1572336 (CHEMBL3795919)	Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	8	ChEMBL_1572333 (CHEMBL3795916)	Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047355	31	ChEMBL_1572339 (CHEMBL3795922)	Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50047358	1	ChEMBL_1572348 (CHEMBL3795931)	Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated cAMP accumulation after 4 hrs by steady-glo luciferase reporter gene assay
50047358	2	ChEMBL_1572346 (CHEMBL3795929)	Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO cellular membrane fraction after 1.5 hrs by liquid scintillation counting method
50047359	1	ChEBML_1572461	Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay
50047359	2	ChEBML_1572462	Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded oligonucleotide DNA containing 3'-phophotyrosine (N14Y) as substrate incubated for 15 mins by PAGE assay
50047359	3	ChEMBL_1572464 (CHEMBL3796255)	Inhibition of human TDP2 expressed in DT40 cells (TDP2-knockout) using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay
50047359	5	ChEMBL_1572461 (CHEMBL3796252)	Inhibition of recombinant human TDP2 using 18-mer single stranded oligonucleotide DNA as substrate incubated for 15 mins by PAGE assay
50047359	6	ChEMBL_1572462 (CHEMBL3796253)	Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded oligonucleotide DNA containing 3'-phophotyrosine (N14Y) as substrate incubated for 15 mins by PAGE assay
50047360	1	ChEMBL_1572468 (CHEMBL3796259)	Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate
50047360	2	ChEMBL_1572469 (CHEMBL3796329)	Inhibition of recombinant human MTH1 expressed in Escherichia coli BL21 DE3 cells preincubated for 15 mins followed by 8-oxo-dGTP substrate addition measured after 15 mins by luminescence based assay
50047361	1	ChEMBL_1572480 (CHEMBL3796340)	Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis
50047362	1	ChEMBL_1570250 (CHEMBL3795161)	Inhibition of human CYP11B2 expressed in V79 MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate for 30 mins by HPTLC analysis
50047362	2	ChEMBL_1570249 (CHEMBL3795160)	Inhibition of human CYP11B1 expressed in V79 MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate for 6 hrs by HPTLC analysis
50047362	3	ChEMBL_1570248 (CHEMBL3795159)	Inhibition of human placental CYP19 using [1beta-3H]-androstenedione as substrate for 3 hrs measured as formation of [3]H2O in presence of NADPH
50047362	4	ChEMBL_1570252 (CHEMBL3795163)	Inhibition of human CYP17 expressed in Escherichia coli co-transfected with rat NADPH-P450 reductase using progesterone as substrate for 30 mins measured as formation of 17alpha-hydroxyprogesterone and 16alpha-hydroxyprogesterone in presence of NADPH
50047363	1	ChEMBL_1570254 (CHEMBL3795165)	Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis
50047364	1	ChEMBL_1570260 (CHEMBL3795202)	Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay
50047364	2	ChEMBL_1570257 (CHEMBL3795199)	Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by competitive fluorescence polarization assay
50047364	3	ChEMBL_1570258 (CHEMBL3795200)	Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by competitive fluorescence polarization assay
50030158	2	ChEMBL_63835 (CHEMBL872885)	Binding affinity against human leukocyte elastase was determined
50047365	1	ChEMBL_1570280 (CHEMBL3795222)	Inhibition of PDE9A2 catalytic domain (181 to 506 residues) (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50047365	2	ChEMBL_1570279 (CHEMBL3795221)	Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) using [3H]-cGMP as substrate after 15 mins by liquid scintillation counting method
50047365	3	ChEMBL_1570278 (CHEMBL3795220)	Inhibition of PDE2A3 catalytic domain (222 to 904 residues) (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50047365	4	ChEMBL_1570277 (CHEMBL3795219)	Inhibition of PDE1B2 catalytic domain (10 to 487 residues) (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50047365	5	ChEMBL_1570276 (CHEMBL3795218)	Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50047365	6	ChEMBL_1570282 (CHEMBL3795224)	Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin)
50047365	7	ChEMBL_1570281 (CHEMBL3795223)	Inhibition of PDE10A2 catalytic domain (448 to 789 residues) (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50047366	1	ChEMBL_1570358 (CHEMBL3795377)	Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization assay
50047366	2	ChEMBL_1570359 (CHEMBL3795378)	Binding affinity to Bcl-XL (unknown origin) by fluorescence polarization assay
50047366	3	ChEMBL_1570360 (CHEMBL3795379)	Binding affinity to Bcl-2 (unknown origin) by FRET assay
50047366	4	ChEMBL_1570361 (CHEMBL3795380)	Binding affinity to Bcl-XL (unknown origin) by FRET assay
50047266	7	ChEMBL_1570462 (CHEMBL3794689)	Inhibition of Pim3 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047266	8	ChEMBL_1570461 (CHEMBL3794688)	Inhibition of Pim2 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo reagent based luminescence assay
50047367	1	ChEMBL_1570469 (CHEMBL3794696)	Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method
50047367	2	ChEMBL_1570470 (CHEMBL3794697)	Mixed-type inhibition of equine BChE using S-butyrylthiocholine chloride as substrate assessed as free enzyme by Lineweaver-Burk reciprocal plot method
50047367	3	ChEMBL_1570471 (CHEMBL3794698)	Mixed-type inhibition of equine BChE using S-butyrylthiocholine chloride as substrate assessed as enzyme-substrate complex by Lineweaver-Burk reciprocal plot method
50047368	1	ChEMBL_1570480 (CHEMBL3794752)	Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using 5-FAM-peptide 2 as substrate after 2 hrs by electrophoretic mobility shift assay in presence of ATP
50047368	2	ChEMBL_1570571 (CHEMBL3794939)	Inhibition of human N-terminal GST-tagged TRKA cytoplasmic domain (436 to 790 residues) expressed in baculovirus expression system using fluorescence labelled CSKtide as substrate by electrophoretic mobility shift assay
50047368	3	ChEMBL_1570584 (CHEMBL3794952)	Inhibition of human N-terminal GST-tagged HGK catalytic domain (1 to 328 residues) expressed in baculovirus expression system using fluorescence labelled moesin-derived peptide substrate by electrophoretic mobility shift assay
50047368	4	ChEMBL_1570478 (CHEMBL3794750)	Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using fluorescence labelled srctide as substrate by mobility shift assay in presence of ATP
50047369	1	ChEMBL_1570587 (CHEMBL3794955)	Agonist activity at human IP receptor in platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1 min followed by addition of ADP by aggregometry
50047369	2	ChEMBL_1570650 (CHEMBL3795018)	Binding affinity to human TP receptor by competitive binding assay
50047369	3	ChEMBL_1570593 (CHEMBL3794961)	Binding affinity to human FP receptor by competitive binding assay
50047369	4	ChEMBL_1570592 (CHEMBL3794960)	Binding affinity to human EP4 receptor by competitive binding assay
50047369	5	ChEMBL_1570591 (CHEMBL3794959)	Binding affinity to human EP3 receptor by competitive binding assay
50047369	6	ChEMBL_1570590 (CHEMBL3794958)	Binding affinity to human EP2 receptor by competitive binding assay
50047369	7	ChEMBL_1570589 (CHEMBL3794957)	Binding affinity to human EP1 receptor by competitive binding assay
50047369	8	ChEMBL_1570588 (CHEMBL3794956)	Binding affinity to human IP receptor by competitive binding assay
50047370	1	ChEMBL_1570662 (CHEMBL3795030)	Inhibition of HDAC in human HeLa nuclear extract using fluor de lys as substrate after 10 to 15 mins by spectrofluorometry
50047370	2	ChEMBL_1570663 (CHEMBL3795031)	Inhibition of HDAC in human HeLa cells using Boc-Lys(AC)-AMC as substrate after 24 to 48 hrs by spectrofluorometry
50047371	2	ChEMBL_1570812 (CHEMBL3795239)	Inhibition of human gamma-secretase expressed in CHO cells assessed as suppression of amyloid beta 40 production using C100-Flag as substrate incubated for 4 hrs by ELISA relative to DMSO control
50047371	4	ChEMBL_1570815 (CHEMBL3795242)	Inhibition of human gamma-secretase expressed in CHO cells assessed as suppression of amyloid beta 42 production using C100-Flag as substrate incubated for 4 hrs by ELISA
50047372	1	ChEMBL_1570831 (CHEMBL3795258)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by Ellman's method-based spectrophotometric analysis
50047372	2	ChEMBL_1570830 (CHEMBL3795257)	Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide substrate by Ellman's method-based spectrophotometric analysis
50047373	1	ChEMBL_1571176 (CHEMBL3797007)	Inhibition of human ERG by electrophysiology analysis
50047373	2	ChEMBL_1571192 (CHEMBL3795953)	Inhibition of Kir2.3 (unknown origin)
50047373	3	ChEMBL_1571186 (CHEMBL3795947)	Inhibition of Kir2.1 (unknown origin)
50047373	4	ChEMBL_1571182 (CHEMBL3795943)	Inhibition of Nav1.2 (unknown origin)
50047373	5	ChEMBL_1571194 (CHEMBL3795955)	Inhibition of Cav2.1 (unknown origin)
50047373	6	ChEMBL_1571195 (CHEMBL3795956)	Inhibition of CYP3A4 (unknown origin)
50047373	7	ChEMBL_1571196 (CHEMBL3795957)	Inhibition of CYP2D6 (unknown origin)
50047373	8	ChEMBL_1571197 (CHEMBL3795958)	Inhibition of CYP2C9 (unknown origin)
50047373	10	ChEMBL_1571177 (CHEMBL3797008)	Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by [86Rb+] flux functional assay
50047373	11	ChEMBL_1571178 (CHEMBL3797009)	Displacement of [35S]-MK499 from human ERG expressed in HEK293 cells
50047373	12	ChEMBL_1571175 (CHEMBL3797006)	Inhibition of human ROMK expressed in CHO cells by whole-cell voltage clamp method
50002085	2	ChEBML_58526	Binding affinity against Dopamine receptor D1 at 10e-3 M concentration using cis-[3H]flupenthixol in rat striatal tissue
50047374	1	ChEMBL_1571690 (CHEMBL3795721)	Antagonist activity against EP4 in human whole blood assessed as reversal of PGE2-mediated suppression of LPS-induced TNF-alpha production preincubated for 30 mins followed by LPS stimulation measured after 20 to 24 hrs by enzyme immunoassay
50047374	2	ChEMBL_1571691 (CHEMBL3795722)	Antagonist activity against human EP4 expressed in HEK293 cells assessed as inhibition of PGE2-stimulated production of cAMP incubated for 20 mins by HTRF assay
50047374	3	ChEMBL_1571676 (CHEMBL3795707)	Inhibition of CYP3A4 (unknown origin)
50047374	4	ChEMBL_1571675 (CHEMBL3795706)	Inhibition of CYP2D6 (unknown origin)
50047374	5	ChEMBL_1571674 (CHEMBL3795705)	Inhibition of CYP2C8 (unknown origin)
50047374	6	ChEMBL_1571673 (CHEMBL3795704)	Inhibition of CYP2C9 (unknown origin)
50047374	7	ChEMBL_1571672 (CHEMBL3795703)	Inhibition of CYP2B6 (unknown origin)
50047374	8	ChEMBL_1571671 (CHEMBL3795702)	Inhibition of CYP1A2 (unknown origin)
50047374	9	ChEMBL_1571709 (CHEMBL3795740)	Inhibition of CYP2C19 (unknown origin)
50047374	10	ChEMBL_1571703 (CHEMBL3795734)	Antagonist activity against rat EP4 assessed as inhibition of PGE2-stimulated production of cAMP
50047374	11	ChEMBL_1571702 (CHEMBL3795733)	Binding affinity to human EP3
50047374	12	ChEMBL_1571701 (CHEMBL3795732)	Binding affinity to human EP2
50047374	13	ChEMBL_1571700 (CHEMBL3795731)	Binding affinity to human EP1
50047374	14	ChEMBL_1571699 (CHEMBL3795730)	Binding affinity to human EP4
50001616	2	ChEMBL_215180 (CHEMBL823112)	Binding affinity of compound towards Vasopressin receptor by binding [3H]LVP to dog renal medullary preparation.
50047375	1	ChEMBL_1571723 (CHEMBL3795790)	Inhibition of KDM5A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047375	2	ChEMBL_1571727 (CHEMBL3795794)	Inhibition of KDM6B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047375	3	ChEMBL_1571726 (CHEMBL3795793)	Inhibition of KDM3A (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047375	4	ChEMBL_1571728 (CHEMBL3795795)	Inhibition of KDM4E (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047375	5	ChEMBL_1571729 (CHEMBL3795796)	Inhibition of KDM3C (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047375	6	ChEMBL_1571730 (CHEMBL3795797)	Inhibition of KDM5B (unknown origin) using substrate peptide/ascorbate/2-OG/ Fe(2) as substrate preincubated for 15 mins followed by addition of substrate peptide/ ascorbate/2-OG/ Fe(2) measured after 1 hr by AlphaLISA method
50047357	5	ChEMBL_1572136 (CHEMBL3796860)	Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50047357	4	ChEMBL_1572137 (CHEMBL3796861)	Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50047357	2	ChEMBL_1572254 (CHEMBL3795750)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as change in MCH(4 to 19)-stimulated Ca2+ concentration by Ca2+ mobilization assay
50047357	3	ChEMBL_1572277 (CHEMBL3795773)	Inhibition of human ERG by patch clamp test
50047376	1	ChEMBL_1572290 (CHEMBL3795821)	Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50047376	2	ChEMBL_1572287 (CHEMBL3795818)	Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr liquid scintillation counting
50047376	3	ChEMBL_1572292 (CHEMBL3795823)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ mobilization measured every 2 secs by fluorometric analysis
50047376	4	ChEMBL_1572438 (CHEMBL3796229)	Time-dependent inhibition of CYP3A4 (unknown origin)
50047376	5	ChEMBL_1572439 (CHEMBL3796230)	Inhibition of human ERG
50047377	1	ChEMBL_1572440 (CHEMBL3796231)	Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by spectrofluorimetric analysis
50047378	1	ChEMBL_1576367 (CHEMBL3802584)	Inhibition of HIV1 subtype B protease
50047378	2	ChEMBL_1576368 (CHEMBL3802585)	Inhibition of HIV1 integrase using DIG/biotin-tagged annealed U5 LTR sequence oligonucleotides as substrate after 2 hrs by 3-processing strand transfer combined assay
50047378	3	ChEMBL_1576370 (CHEMBL3802587)	Inhibition of HIV1 protease using Pr SF-2-WTQ7K-Pr as substrate after 24 hrs by LC/MS-MS analysis
50047378	4	ChEMBL_1576371 (CHEMBL3802588)	Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay
50047378	5	ChEMBL_1576376 (CHEMBL3802805)	Antagonist activity against CXCR4 in in human MOLT4 cells assessed as inhibition of SDF1alpha -induced Ca2+ mobilization after 30 mins by FACS analysis
50047378	6	ChEMBL_1576381 (CHEMBL3802810)	Inhibition of human recombinant CCR5 encoding an HIV-1-longterminal-repeat-regulated beta-galactosidase reporter gene expressed in human HeLaP4 cells assessed as reduction of interaction with HIV-1 gp160 expressed in CHO cells by cell-cell fusion assay
50047378	7	ChEMBL_1576382 (CHEMBL3802811)	Inhibition of CYP2D6 (unknown origin)
50047378	8	ChEMBL_1576394 (CHEMBL3802823)	Binding affinity to wild type HIV1 protease
50047378	9	ChEMBL_1576407 (CHEMBL3802836)	Binding affinity to HIV integrase
50047379	1	ChEMBL_1576410 (CHEMBL3802839)	Inhibition of IFN gamma-induced STAT3 (unknown origin) activation in HeLa-STAT3-Luc cells after 6 hrs by luciferase reporter gene assay
50047380	1	ChEMBL_1572641 (CHEMBL3803436)	Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay
50047380	2	ChEMBL_1572664 (CHEMBL3803459)	Binding affinity to human CDK8 (1 to 464 amino acid residues)/Cyclin C (1 to 283 amino acid residues) by reporter displacement assay
50047381	1	ChEMBL_1572909 (CHEMBL3801232)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface plasmon resonance assay
50047381	2	ChEMBL_1572910 (CHEMBL3801233)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface plasmon resonance assay
50047381	3	ChEMBL_1572875 (CHEMBL3801011)	Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay
50047381	4	ChEMBL_1572869 (CHEMBL3801005)	Binding affinity to human recombinant CA7 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	5	ChEMBL_1572870 (CHEMBL3801006)	Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assay
50047381	6	ChEMBL_1572877 (CHEMBL3801013)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	7	ChEMBL_1572878 (CHEMBL3801014)	Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assay
50047381	8	ChEMBL_1572879 (CHEMBL3801015)	Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assay
50047381	9	ChEMBL_1572871 (CHEMBL3801007)	Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay
50047381	10	ChEMBL_1572861 (CHEMBL3800997)	Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	11	ChEMBL_1572862 (CHEMBL3800998)	Binding affinity to human recombinant CA1 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay
50047381	12	ChEMBL_1572881 (CHEMBL3801017)	Binding affinity to human recombinant CA13 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	13	ChEMBL_1572882 (CHEMBL3801018)	Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assay
50047381	14	ChEMBL_1572883 (CHEMBL3801019)	Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assay
50047381	15	ChEMBL_1572892 (CHEMBL3801215)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay
50047381	16	ChEMBL_1572893 (CHEMBL3801216)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface plasmon resonance assay
50047381	17	ChEMBL_1572894 (CHEMBL3801217)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface plasmon resonance assay
50047381	18	ChEMBL_1572896 (CHEMBL3801219)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assay
50047381	19	ChEMBL_1572897 (CHEMBL3801220)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface plasmon resonance assay
50047381	20	ChEMBL_1572898 (CHEMBL3801221)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface plasmon resonance assay
50001443	1	ChEBML_123739	Inhibitory activity against Monoamine oxidase B isolated from beef liver mitochondria was determined
50047381	21	ChEMBL_1572900 (CHEMBL3801223)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay
50047381	22	ChEMBL_1572901 (CHEMBL3801224)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface plasmon resonance assay
50047381	23	ChEMBL_1572902 (CHEMBL3801225)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface plasmon resonance assay
50047381	24	ChEMBL_1572904 (CHEMBL3801227)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assay
50047381	25	ChEMBL_1572905 (CHEMBL3801228)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface plasmon resonance assay
50047381	26	ChEMBL_1572906 (CHEMBL3801229)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface plasmon resonance assay
50047381	27	ChEMBL_1572908 (CHEMBL3801231)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay
50047381	28	ChEMBL_1572863 (CHEMBL3800999)	Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay
50047381	29	ChEMBL_1572865 (CHEMBL3801001)	Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	30	ChEMBL_1572873 (CHEMBL3801009)	Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assay
50047381	31	ChEMBL_1572874 (CHEMBL3801010)	Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assay
50047381	32	ChEMBL_1572866 (CHEMBL3801002)	Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay
50047381	33	ChEMBL_1572867 (CHEMBL3801003)	Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay
50047381	34	ChEMBL_1573082 (CHEMBL3802368)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assay
50047381	35	ChEMBL_1573083 (CHEMBL3802369)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface plasmon resonance assay
50047381	36	ChEMBL_1573084 (CHEMBL3802370)	Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface plasmon resonance assay
50047382	1	ChEMBL_1573098 (CHEMBL3802384)	Inhibition of p97 (unknown origin) ATPase activity after 10 mins by malachite green dye based visible spectrophotometry
50047383	1	ChEBML_1573810	Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forsolkin addition measured after 15 mins by immunoassay
50047383	10	ChEMBL_1573808 (CHEMBL3803229)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047383	5	ChEBML_1573812	Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forsolkin addition measured after 15 mins by immunoassay
50047383	3	ChEBML_1573819	Inhibition of delta opioid receptor (unknown origin) by PDSP assay
50047383	4	ChEMBL_1573810 (CHEMBL3803231)	Agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forsolkin addition measured after 15 mins by immunoassay
50047383	6	ChEBML_1573811	Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047383	8	ChEBML_1573811	Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047383	9	ChEMBL_1573812 (CHEMBL3803233)	Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forsolkin addition measured after 15 mins by immunoassay
50047383	7	ChEBML_1573812	Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forsolkin addition measured after 15 mins by immunoassay
50047383	11	ChEMBL_1573809 (CHEMBL3803230)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-Nmethyluronamide from mouse adenosine A3 receptor expressed in HEK293 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047384	48	ChEMBL_1573826 (CHEMBL3803511)	Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology method
50047384	45	ChEMBL_1573822 (CHEMBL3803507)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method
50047384	46	ChEMBL_1573825 (CHEMBL3803510)	Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell patch clamp electrophysiology method
50047384	44	ChEMBL_1573823 (CHEMBL3803508)	Inhibition of human Nav1.4 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method
50047384	43	ChEMBL_1573821 (CHEMBL3803506)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inward peak current by ion-works quattro patch clamp electrophysiology method
50047384	47	ChEMBL_1573824 (CHEMBL3803509)	Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology method
50000592	1	ChEMBL_144963 (CHEMBL755081)	In vitro ability to inhibit the binding of [125I]-alpha-bungarotoxin to nicotinic acetylcholine receptor on membranes prepared from the electric organs of Torpedo californica
50000537	4	ChEBML_146418	Binding affinity against opioid receptor mu using [3H]etorphine as a radioligand
50000537	3	ChEBML_145550	Binding affinity against Opioid receptor kappa 1 using [3H]U-69593 as a radioligand
50047385	1	ChEBML_1574106	Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye based-fluorescence analysis in presence of glutamate
50047385	4	ChEMBL_1574105 (CHEMBL3801515)	Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye based-fluorescence analysis in presence of glutamate/glycine
50047385	6	ChEMBL_1574106 (CHEMBL3801516)	Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye based-fluorescence analysis in presence of glutamate
50047385	5	ChEMBL_1574110 (CHEMBL3801520)	Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye based-fluorescence analysis in presence of glutamate
50047385	2	ChEMBL_1574112 (CHEMBL3801522)	Positive allosteric modulation of GluN1/GluN2C NMDAR (unknown origin) expressed in Dox-inducible cells by BD calcium indicator dye based-fluorescence analysis in presence of glutamate/glycine
50047385	3	ChEMBL_1574114 (CHEMBL3801524)	Positive allosteric modulation of GluN1/GluN2D NMDAR (unknown origin) expressed in Dox-inducible cells by BD calcium indicator dye based-fluorescence analysis in presence of glutamate/glycine
50047386	1	ChEMBL_1574131 (CHEMBL3801746)	Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
50047386	2	ChEMBL_1574132 (CHEMBL3801747)	Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay
50047386	3	ChEMBL_1574366 (CHEMBL3803252)	Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
50047386	4	ChEMBL_1574383 (CHEMBL3803537)	Inhibition of human ERG by patch clamp method
50047386	5	ChEMBL_1574387 (CHEMBL3803541)	Inhibition of CYP1A2 (unknown origin)
50047386	6	ChEMBL_1574388 (CHEMBL3803542)	Inhibition of CYP2B6 (unknown origin)
50047386	7	ChEMBL_1574389 (CHEMBL3803543)	Inhibition of CYP2C8 (unknown origin)
50047386	8	ChEMBL_1574390 (CHEMBL3803544)	Inhibition of CYP2C9 (unknown origin)
50047386	9	ChEMBL_1574391 (CHEMBL3803545)	Inhibition of CYP2C19 (unknown origin)
50047386	10	ChEMBL_1574392 (CHEMBL3803546)	Inhibition of CYP2D6 (unknown origin)
50047386	11	ChEMBL_1574393 (CHEMBL3803547)	Inhibition of CYP3A4 (unknown origin)
50047387	1	ChEMBL_1574683 (CHEMBL3801550)	Inhibition of recombinant human BACE1 preincubated for 30 mins followed QSY7EISEVNLDAEFC-Eu-amide substrate addition measured after 90 mins by FRET assay
50047387	2	ChEMBL_1574690 (CHEMBL3801557)	Inhibition of human histamine H2 receptor
50047387	3	ChEMBL_1574682 (CHEMBL3801549)	Inhibition of CYP3A4 in human liver microsomes using testosterone and midazolam as substrate preincubated for 30 mins followed substrate addition by LC-MS/MS analysis
50047387	4	ChEMBL_1574684 (CHEMBL3801551)	Inhibition of BACE1 in human HEK293 cells transfected with human APP Swe/Lon mutations assessed as amyloid beta 40 level after 4 hrs by electrochemiluminescence-based sandwich ELISA
50047387	5	ChEMBL_1574692 (CHEMBL3801559)	Inhibition of human motilin receptor
50047387	6	ChEMBL_1574698 (CHEMBL3801565)	Inhibition of human ERG
50047388	1	ChEMBL_1575028 (CHEMBL3803863)	Inhibition of recombinant human HDAC1 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins by fluorescence assay
50047388	2	ChEMBL_1575029 (CHEMBL3803864)	Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins by fluorescence assay
50047388	3	ChEMBL_1575026 (CHEMBL3803623)	Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins by fluorescence assay
50047388	4	ChEMBL_1575027 (CHEMBL3803862)	Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins by fluorescence assay
50047388	5	ChEMBL_1575271 (CHEMBL3801582)	Inhibition of recombinant HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by trypsin and substrate addition measured after 30 mins by fluorescence assay
50047389	1	ChEMBL_1575776 (CHEMBL3801395)	Binding affinity to Cyclophilin D (unknown origin) by isothermal titration calorimetry
50047389	5	ChEMBL_1575774 (CHEMBL3801393)	Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based spectrophotometry assay
50047389	4	ChEBML_1575777	Inhibition of Cyclophilin D (unknown origin) activity in absence of detergent
50047390	1	ChEBML_1575788	Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047390	6	ChEMBL_1575788 (CHEMBL3801620)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047390	3	ChEMBL_1575805 (CHEMBL3801637)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1A adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047390	4	ChEMBL_1575806 (CHEMBL3801638)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1B adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047390	2	ChEMBL_1575789 (CHEMBL3801621)	Displacement of [125I] HEAT from human alpha1D adrenergic receptor expressed in Chlorocebus aethiops COS1 cell membranes incubated for 60 mins by liquid scintillation counting analysis
50047390	5	ChEMBL_1575807 (CHEMBL3801639)	Inhibition of 5-HT 1A receptor (unknown origin)
50047391	1	ChEMBL_1575814 (CHEMBL3801857)	Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE assay in presence of ATP
50000291	8	ChEBML_81994	Inhibition of HUVEC attachment to human fibrinogen
50000291	6	ChEBML_81995	Inhibition of HUVEC attachment to human fibronectin
50000291	7	ChEBML_81996	Inhibition of HUVEC attachment to human vitronectin
50000291	9	ChEBML_70328	Inhibition of [125I]fibrinogen binding to fibrinogen receptor
50047391	2	ChEMBL_1575821 (CHEMBL3801864)	Inhibition of human recombinant FLT4 using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE assay in presence of ATP
50047391	3	ChEMBL_1575810 (CHEMBL3801642)	Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21(DE3)-V2R-pRARE2 cells by surface plasmon resonance analysis
50047391	4	ChEMBL_1575811 (CHEMBL3801643)	Inhibition of N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) interaction with MLL1 assessed as displacement of 5-Lys-FAM peptide substrate from WDR5 expressed in Escherichia coli Rosetta2(DE3) pLysS cells by fluorescence polarization assay
50047391	5	ChEMBL_1575812 (CHEMBL3801644)	Inhibition of SUMO-His-tagged MLL1 activity (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using histone H3 as substrate by scintillation counting method in presence of [3H]SAM
50047391	6	ChEMBL_1575813 (CHEMBL3801645)	Inhibition of SUMO-His-tagged WDR5 (unknown origin) interaction with MLL1 assessed as displacement of fluorescence labelled Ac-ARA peptide substrate from WDR5 expressed in Escherichia coli BL21(DE3) pLysS cells by fluorescence polarization assay
50047392	1	ChEMBL_1576042 (CHEMBL3803374)	Displacement of 125I-NDP-MSH from mouse MC3R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis
50047392	2	ChEMBL_1576041 (CHEMBL3803373)	Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis
50047392	3	ChEMBL_1576040 (CHEMBL3803372)	Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated for 1 hr by gamma counting analysis
50047392	4	ChEMBL_1576047 (CHEMBL3803379)	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assay
50047392	5	ChEMBL_1576048 (CHEMBL3803380)	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assay
50047392	6	ChEMBL_1576049 (CHEMBL3803381)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assay
50047392	7	ChEMBL_1576050 (CHEMBL3803653)	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation incubated for 2 hrs by alphascreen assay
50047393	1	ChEMBL_1576115 (CHEMBL3804199)	Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
50047393	2	ChEMBL_1576116 (CHEMBL3804200)	Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
50047394	1	ChEMBL_1576288 (CHEMBL3801425)	Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney P2 membranes after 45 hrs by liquid scintillation counting
50047395	1	ChEMBL_1576311 (CHEMBL3801661)	Inhibition of human recombinant His-tagged SENP2 (363 to 589 residues) expressed in Escherichia coli BL21 (DE3) using RanGAP-SUMO as substrate incubated for 10 mins prior to substrate addition followed by further 25 mins incubation by krypton dye based fluorescence imaging method
50047395	2	ChEMBL_1576310 (CHEMBL3801660)	Inhibition of human recombinant His-tagged SENP1 (419 to 644 residues) expressed in Escherichia coli BL21 (DE3) using RanGAP-SUMO as substrate incubated for 10 mins prior to substrate addition followed by further 25 mins incubation by krypton dye based fluorescence imaging method
50047395	3	ChEMBL_1576308 (CHEMBL3801658)	Inhibition of human recombinant His-tagged SENP2 (363 to 589 residues) expressed in Escherichia coli BL21 (DE3) using RanGAP-SUMO as substrate incubated for 10 mins prior to substrate addition followed by further 25 mins incubation by coomassie blue staining based SDS-PAGE/Odyssey infrared scanning assay
50047395	4	ChEMBL_1576307 (CHEMBL3801657)	Inhibition of human recombinant His-tagged SENP1 (419 to 644 residues) expressed in Escherichia coli BL21 (DE3) using RanGAP-SUMO as substrate incubated for 10 mins prior to substrate addition followed by further 25 mins incubation by coomassie blue staining based SDS-PAGE/Odyssey infrared scanning assay
50047396	1	ChEMBL_1576316 (CHEMBL3801666)	Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter
50047396	2	ChEMBL_1576315 (CHEMBL3801665)	Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter
50047396	3	ChEMBL_1576313 (CHEMBL3801663)	Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter
50047396	4	ChEMBL_1576312 (CHEMBL3801662)	Displacement of [3H]N-methylspiperone from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter
50047396	5	ChEMBL_1576318 (CHEMBL3801668)	Agonist activity at human D2 receptor transfected in HEK293T cells by BRET based G0 activation assay
50047396	6	ChEMBL_1576320 (CHEMBL3801670)	Agonist activity at human D3 receptor transfected in HEK293T cells by BRET based G0 activation assay
50047396	7	ChEMBL_1576322 (CHEMBL3801672)	Agonist activity at recombinant human D2 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]thymidine incorporation after 24 hrs by scintillation spectrometry
50047396	8	ChEMBL_1576324 (CHEMBL3801674)	Agonist activity at recombinant human D3 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]thymidine incorporation after 24 hrs by scintillation spectrometry
50047396	9	ChEMBL_1576489 (CHEMBL3803417)	Agonist activity at recombinant human D2 receptor expressing in CHO cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]thymidine incorporation by beta plate counter
50047398	1	ChEMBL_1576528 (CHEMBL3803968)	Agonist activity at NOD2 receptor (unknown origin) expressed in HEK-Blue cells assessed as NF-kappaB transcriptional activity after 18 hrs by secreted embryonic alkaline phosphatase reporter gene assay
50047399	1	ChEMBL_1576531 (CHEMBL3803971)	Displacement of N-terminal biotinylated SRC1-4 coactivator peptide from N-terminal His6-fused human RORgamma-LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) by luminescence-based Alphascreen assay
50047399	2	ChEMBL_1576530 (CHEMBL3803970)	Inhibition of Gal4-RORgamma-LBD (180 to 507 residues) (unknown origin) expressed in HEK293T cells after 24 hrs by dual-luciferase reporter assay
50005934	7	ChEMBL_220771 (CHEMBL842047)	The binding affinity was measured on leukotriene-6 receptor using [3H]- IL-6 as radioligand.
50005934	8	ChEBML_98899	The binding affinity was measured on muscarine M2 receptor using [3H]- N-Me-SCOPOL as radioligand.
50047400	1	ChEMBL_1576535 (CHEMBL3803975)	Binding affinity to bovine brain CaM by FTPFACE analysis
50047400	2	ChEMBL_1576536 (CHEMBL3803976)	Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+
50047400	3	ChEMBL_1576537 (CHEMBL3803977)	Binding affinity to CaM (unknown origin) by isothermal titration calorimetric analysis in presence of calcium2+
50047400	4	ChEMBL_1576538 (CHEMBL3803978)	Displacement of [3H]trifluoperazine from bovine brain CaM in presence of calcium
50047400	5	ChEMBL_1576539 (CHEMBL3803979)	Binding affinity to CaM (unknown origin) by equilibrium dialysis method
50047400	6	ChEMBL_1576540 (CHEMBL3803980)	Displacement of [3H] ifenprodil from bovine CaM-agarose incubated for 30 mins by liquid scintillation spectrometric analysis
50047400	7	ChEMBL_1572734 (CHEMBL3804022)	Inhibition of full length recombinant human CaMKK2 expressed in insect Sf21 cells in presence of 2 uM CaM/[gamma32P]ATP by liquid scintillation counting analysis
50047400	8	ChEMBL_1572741 (CHEMBL3804250)	Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis
50047400	9	ChEMBL_1572742 (CHEMBL3804251)	Displacement of [3H]W-7 from bovine brain CaM
50047400	10	ChEMBL_1572743 (CHEMBL3804252)	Competitive binding affinity to human recombinant CaM by Cy5 dye labeled W-7-based fluorescence polarization analysis
50047401	1	ChEMBL_1572756 (CHEMBL3804265)	Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins
50047401	2	ChEMBL_1572751 (CHEMBL3804260)	Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by luminescence assay
50047401	3	ChEMBL_1572749 (CHEMBL3804258)	Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by luminescence assay
50047401	4	ChEMBL_1572755 (CHEMBL3804264)	Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins
50047402	1	ChEMBL_1572761 (CHEMBL3804270)	Agonist activity at human GPR40 expressed in CHO cells by FLIPR calcium flux assay
50047403	1	ChEMBL_1572779 (CHEMBL3804503)	Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition measured after 20 mins by spectrophotometric method
50047404	1	ChEMBL_1572788 (CHEMBL3804512)	Displacement of [3H]ifenprodil from recombinant human GluN2B expressed in mouse L(tk-) cell membranes incubated for 120 mins by microbeta scintillation counting analysis
50047404	2	ChEMBL_1572971 (CHEMBL3801685)	Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guinea pig brain homogenate incubated for 120 mins by solid scintillation counting analysis
50005668	2	ChEMBL_158860 (CHEMBL761745)	Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light. 
50005668	3	ChEMBL_82014 (CHEMBL691880)	Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen
50005668	4	ChEMBL_214622 (CHEMBL819702)	Inhibition of human umbilical vein endothelial cell adhesion to vitronectin
50005668	5	ChEMBL_214623 (CHEMBL819703)	Inhibition of human umbilical vein endothelial cell adhesion to vitronectin
50005668	6	ChEMBL_219091 (CHEMBL821694)	Inhibition of human umbilical vein endothelial cell adhesion to fibronectin
50047404	3	ChEMBL_1572787 (CHEMBL3804511)	Binding affinity to GluN2B (unknown origin)
50047405	1	ChEMBL_1572988 (CHEMBL3801702)	Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins
50047405	2	ChEMBL_1572989 (CHEMBL3801703)	Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins
50047406	1	ChEMBL_1573213 (CHEMBL3803191)	Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay
50047406	2	ChEMBL_1573210 (CHEMBL3803188)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50047406	3	ChEMBL_1573211 (CHEMBL3803189)	Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50047407	1	ChEMBL_1573233 (CHEMBL3803473)	Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
50047407	2	ChEMBL_1573232 (CHEMBL3803472)	Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
50005546	1	ChEMBL_64660 (CHEMBL674812)	Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation
50047407	3	ChEMBL_1573253 (CHEMBL3803493)	Agonist activity at S1PR2 (unknown origin)
50047407	4	ChEMBL_1573254 (CHEMBL3803494)	Agonist activity at S1PR4 (unknown origin)
50047407	5	ChEMBL_1573255 (CHEMBL3803495)	Agonist activity at S1PR5 (unknown origin)
50047408	1	ChEMBL_1573703 (CHEMBL3802638)	Inhibition of c-Met in human MKN45 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay
50047408	2	ChEMBL_1573702 (CHEMBL3802637)	Inhibition of c-Met in human EBC-1 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay
50047408	3	ChEMBL_1573701 (CHEMBL3802636)	Inhibition of recombinant c-Mer (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047408	4	ChEMBL_1573700 (CHEMBL3802635)	Inhibition of recombinant TYRO3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047408	5	ChEMBL_1573699 (CHEMBL3802634)	Inhibition of recombinant AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047408	6	ChEMBL_1573704 (CHEMBL3802639)	Inhibition of TPR-MET in mouse BAF3 cells assessed as reduction in cell proliferation after 72 hrs by SRB or MTT assay
50047408	7	ChEMBL_1573471 (CHEMBL3801044)	Inhibition of TPR-MET in mouse NIH/3T3 cells assessed as inhibition of cell proliferation after 72 hrs by SRB or MTT assay
50047408	8	ChEMBL_1573468 (CHEMBL3801041)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047409	1	ChEMBL_1574213 (CHEMBL3802218)	Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by Tag-lite assay
50047409	2	ChEMBL_1574211 (CHEMBL3802216)	Inverse agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay
50047409	3	ChEMBL_1574210 (CHEMBL3802215)	Agonist activity at human GHS-R1a expressed in HEK293T cells after 45 mins by HTRF-based IP3 turnover assay
50047409	4	ChEMBL_1574207 (CHEMBL3802212)	Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and rolipram
50047409	5	ChEMBL_1574206 (CHEMBL3802211)	Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured over 60 secs by fluo-4AM dye-based fluorometric method
50047409	6	ChEMBL_1574205 (CHEMBL3802020)	Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method
50047410	1	ChEMBL_1574214 (CHEMBL3802219)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs
50047410	2	ChEMBL_1574215 (CHEMBL3802220)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs
50005252	1	ChEMBL_196279 (CHEMBL806633)	Component acylation rate constant by the compound against Renin was determined
50047411	1	ChEMBL_1574254 (CHEMBL3802437)	Binding affinity to human MDM2 by temperature dependent fluorescence assay
50047411	2	ChEMBL_1574253 (CHEMBL3802436)	Displacement of Ac-Phe-Arg-Dpr(fluorophore)-Ac6c-(6-Br)Trp-Glu-Glu-Leu-NH2 from human N-terminal His6-tagged MDM2 (17 to 125 residues) expressed in Escherichia coli by fluorescence polarization assay
50047411	3	ChEMBL_1574252 (CHEMBL3802435)	Inhibition of CYP2C9 (unknown origin)
50047411	4	ChEMBL_1574251 (CHEMBL3802434)	Inhibition of CYP2D6 (unknown origin)
50047411	5	ChEMBL_1574250 (CHEMBL3802433)	Inhibition of CYP3A4 (unknown origin)
50047411	6	ChEMBL_1574245 (CHEMBL3802428)	Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay
50047412	1	ChEMBL_1574255 (CHEMBL3802438)	Inhibition of PI3Kalpha in human HCT116 cells coexpressing PI3Kalpha H1047R mutant assessed as growth inhibition after 24 hrs by MTT assay
50047412	2	ChEMBL_1574498 (CHEMBL3804124)	Inhibition of EGFR in human MDA231 cells assessed as growth inhibition after 24 hrs by MTT assay
50047413	1	ChEMBL_1574503 (CHEMBL3804129)	Inhibition of B-Raf V600E mutant in human A375 cells assessed as ERK phosphorylation preincubated for 1 hr by Western blot method
50047413	2	ChEMBL_1574501 (CHEMBL3804127)	Inhibition of B-Raf V600E mutant (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay
50047413	3	ChEMBL_1574500 (CHEMBL3804126)	Inhibition of wild type B-Raf (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay
50047413	4	ChEMBL_1574502 (CHEMBL3804128)	Inhibition of wild type B-Raf in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation preincubated for 1 hr by Western blot method
50047414	1	ChEMBL_1575090 (CHEMBL3804157)	Inhibition of N-terminal GST fused human RET (658 to 1114 amino acid residue) using CSKtide as substrate expressed in baculovirus preincubated for 15 mins followed by substrate addition measured after 20 mins by FRET assay
50047414	2	ChEMBL_1575092 (CHEMBL3804159)	Inhibition of recombinant KIF5B/RET (unknown origin) expressed in IL3 deficient BAF3 cells assessed as reduction in cell viability after 48 hrs by CellTiter-Glo assay
50047414	3	ChEMBL_1575093 (CHEMBL3804160)	Inhibition of recombinant KDR (unknown origin) expressed in IL3 deficient BAF3 cells assessed as reduction in cell viability after 48 hrs by CellTiter-Glo assay
50047415	1	ChEMBL_1575145 (CHEMBL3804653)	Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay
50047415	2	ChEMBL_1575146 (CHEMBL3804654)	Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay
50047416	1	ChEMBL_1575387 (CHEMBL3802284)	Inhibition of EGFR (746 to 750) deletion mutant (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	2	ChEMBL_1575386 (CHEMBL3802283)	Inhibition of EGFR (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	3	ChEMBL_1575385 (CHEMBL3802282)	Inhibition of IRK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	4	ChEMBL_1575384 (CHEMBL3802281)	Inhibition of MELK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	5	ChEMBL_1575377 (CHEMBL3802095)	Inhibition of DRAK1 (unknown origin)
50047416	6	ChEMBL_1575376 (CHEMBL3802094)	Inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by ADP-Glo kinase assay
50047416	7	ChEMBL_1575388 (CHEMBL3802285)	Competitive inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated for 2 hrs by Lineweaver-Burk plot analysis in presence of ATP
50047416	8	ChEMBL_1575383 (CHEMBL3802280)	Inhibition of AcK1 (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	9	ChEMBL_1575382 (CHEMBL3802279)	Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	10	ChEMBL_1575381 (CHEMBL3802278)	Inhibition of c-MET (unknown origin) using peptide substrate incubated for 30 mins by europium donor dye-based plate reader analysis
50047416	11	ChEMBL_1575380 (CHEMBL3802098)	Inhibition of DAPK3 (unknown origin)
50047416	12	ChEMBL_1575379 (CHEMBL3802097)	Inhibition of DAPK2 (unknown origin)
50047416	13	ChEMBL_1575378 (CHEMBL3802096)	Inhibition of DAPK1 (unknown origin)
50047417	1	ChEMBL_1575390 (CHEMBL3802287)	Inhibition of human recombinant GST-tagged ERK1 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured after 1 hr by Z-LYTE assay
50047417	2	ChEMBL_1575391 (CHEMBL3802288)	Inhibition of human recombinant GST-tagged ERK2 expressed in Escherichia coli using ser/thr 3 Peptide as substrate preincubated for 1 hr measured after 1 hr by Z-LYTE assay
50047417	3	ChEMBL_1575392 (CHEMBL3802289)	Inhibition of c-MET (unknown origin) by Z-LYTE assay
50047417	4	ChEMBL_1575393 (CHEMBL3802290)	Inhibition of IGF1R (unknown origin) by Z-LYTE assay
50047417	5	ChEMBL_1575394 (CHEMBL3802291)	Inhibition of ALK (unknown origin) by Z-LYTE assay
50047417	6	ChEMBL_1575395 (CHEMBL3802292)	Inhibition of FLT1 (unknown origin) by Z-LYTE assay
50047417	7	ChEMBL_1575398 (CHEMBL3802295)	Inhibition of KDR (unknown origin) by Z-LYTE assay
50047417	8	ChEMBL_1575397 (CHEMBL3802294)	Inhibition of PDGFRbeta (unknown origin) by Z-LYTE assay
50047417	9	ChEMBL_1575399 (CHEMBL3802296)	Inhibition of RET (unknown origin) by Z-LYTE assay
50047417	10	ChEMBL_1575400 (CHEMBL3802297)	Inhibition of EGFR (unknown origin) by Z-LYTE assay
50047417	11	ChEMBL_1575401 (CHEMBL3802298)	Inhibition of ERBB2 (unknown origin) by Z-LYTE assay
50047417	12	ChEMBL_1575402 (CHEMBL3802299)	Inhibition of c-Src (unknown origin) by Z-LYTE assay
50047417	13	ChEMBL_1575403 (CHEMBL3802300)	Inhibition of EPHA2 (unknown origin) by Z-LYTE assay
50047417	14	ChEMBL_1575404 (CHEMBL3802301)	Inhibition of FGFR1 (unknown origin) by Z-LYTE assay
50047417	15	ChEMBL_1575396 (CHEMBL3802293)	Inhibition of ABL (unknown origin) by Z-LYTE assay
50047418	1	ChEMBL_1575414 (CHEMBL3802311)	Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in human Chem1 cell membrane by scintillation proximity assay
50047418	2	ChEMBL_1575415 (CHEMBL3802312)	Antagonist activity at human recombinant EP3 receptor expressed in CHOK1 cells assessed as inhibition of sulprostone-induced decrease in cAMP level preincubated with compound followed by sulprostone addition by HTRF assay
50047418	3	ChEMBL_1575419 (CHEMBL3802316)	Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in human Chem1 cell membrane by scintillation proximity assay
50047418	4	ChEMBL_1575420 (CHEMBL3802317)	Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in human Chem1 cell membrane by scintillation proximity assay
50047418	5	ChEMBL_1575421 (CHEMBL3802318)	Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in human Chem1 cell membrane by scintillation proximity assay
50047419	1	ChEBML_1572583	Inhibition of N-terminal FLAG-tagged PKCdelta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measured after 60 mins in presence of ATP by TR-FRET assay
50047419	2	ChEBML_1572582	Inhibition of N-terminal FLAG-tagged PKCbeta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measured after 60 mins in presence of ATP by TR-FRET assay
50047419	3	ChEBML_1572581	Inhibition of N-terminal FLAG-tagged PKCalpha (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measured after 60 mins in presence of ATP by TR-FRET assay
50047419	4	ChEBML_1572580	Inhibition of N-terminal FLAG-tagged FAK cytoplasmic domain (unknown origin) expressed in baculovirus preincubated for 5 mins measured after 20 mins in presence of ATP by AlphaScreen assay
50047419	5	ChEBML_1572579	Inhibition of full length N-terminal His-tagged recombinant human SRC preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	6	ChEBML_1572578	Inhibition of N-terminal His6-tagged recombinant human c-Met preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	7	ChEBML_1572577	Inhibition of N-terminal FLAG-tagged PKCzeta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measured after 60 mins in presence of ATP by TR-FRET assay
50047419	8	ChEBML_1572576	Inhibition of ROCK2 (unknown origin)
50047419	9	ChEBML_1572575	Inhibition of N-terminal 6His-tagged PI3Kalpha (unknown origin) co-expressed with p85alpha in baculovirus using L-alpha-phosphatidyl-D-myo-inositol 4,5-diphosphate as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	10	ChEBML_1572574	Inhibition of N-terminal FLAG-tagged PLK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using alpha-casein as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	11	ChEBML_1572573	Inhibition of full length human CDC7 co-expressed with N-terminal GST-tagged ASK in baculovirus preincubated for 5 mins using MCM2 as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	25	ChEMBL_1576560 (CHEMBL3804231)	Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measured after 60 mins in presence of ATP by TR-FRET assay
50047419	24	ChEMBL_1576576 (CHEMBL3804491)	Inhibition of N-terminal GST-tagged human ROCK1 expressed in baculovirus preincubated for 5 mins using long S6 peptide as substrate measured after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	26	ChEMBL_1576561 (CHEMBL3804232)	Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis
50047419	15	ChEMBL_1576574 (CHEMBL3804489)	Inhibition of N-terminal GST-tagged CK1delta (unknown origin) expressed in Escherichia coli preincubated for 5 mins using CK1tide as substrate measured after 20 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	14	ChEMBL_1576573 (CHEMBL3804244)	Inhibition of N-terminal FLAG-tagged ASK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	20	ChEMBL_1576577 (CHEMBL3804492)	Inhibition of N-terminal GST-tagged CHK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using CHKtide as substrate measured after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	22	ChEMBL_1576578 (CHEMBL3804493)	Inhibition of N-terminal FLAG-tagged MAPKAPK2 (unknown origin) expressed in baculovirus preincubated for 5 mins using KKLNRTLSVA-NH2 as substrate measured after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	18	ChEMBL_1576572 (CHEMBL3804243)	Inhibition of N-terminal GST-tagged MEK1 (unknown origin) expressed in freestyle293 system preincubated for 5 mins using GST-tagged ERK1 K71A as substrate measured after 20 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	16	ChEMBL_1576571 (CHEMBL3804242)	Inhibition of N-terminal GST-tagged human IRAK4 expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	13	ChEMBL_1576570 (CHEMBL3804241)	Inhibition of N-terminal GST-tagged human JAK1 expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	27	ChEMBL_1576566 (CHEMBL3804237)	Inhibition of N-terminal GST-tagged human EGFR preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	17	ChEMBL_1572570 (CHEMBL3802845)	Inhibition of N-terminal FLAG-tagged ERK1 (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	28	ChEMBL_1576567 (CHEMBL3804238)	Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (unknown origin) expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	29	ChEMBL_1572584 (CHEMBL3802859)	Inhibition of CLK (unknown origin)
50047419	30	ChEMBL_1572585 (CHEMBL3802860)	Inhibition of N-terminal GST-tagged GSK-3beta (unknown origin) expressed in baculovirus preincubated for 5 mins using GSK3 substrate peptide measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	31	ChEMBL_1572586 (CHEMBL3802861)	Inhibition of N-terminal GST-tagged human TrkA expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	33	ChEMBL_1576569 (CHEMBL3804240)	Inhibition of N-terminal GST-tagged human EphA5 catalytic domain expressed in baculovirus preincubated for 5 mins measured after 10 mins in presence of ATP by AlphaScreen assay
50047419	32	ChEMBL_1576568 (CHEMBL3804239)	Inhibition of IRK (unknown origin) preincubated for 5 mins measured after 60 mins in presence of ATP by AlphaScreen assay
50047419	19	ChEMBL_1572571 (CHEMBL3802846)	Inhibition of C-terminal 6His-tagged CDK2/N-terminal GST-tagged cyclin A (unknown origin) expressed in baculovirus preincubated for 5 mins using histone-H1 as substrate measured after 20 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	21	ChEMBL_1572572 (CHEMBL3802847)	Inhibition of N-terminal FLAG-tagged p38alpha (unknown origin) expressed in baculovirus preincubated for 5 mins using myelin basic protein as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047419	23	ChEMBL_1576575 (CHEMBL3804490)	Inhibition of N-terminal 6His-tagged Aurora-B (unknown origin) preincubated for 5 mins using Aurora substrate peptide as substrate measured after 60 mins in presence of [gamma-33P]ATP by scintillation counting method
50047420	1	ChEMBL_1572608 (CHEMBL3803141)	Inhibition of human recombinant FAAH expressed in sf21 cells using AMC-AA as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by spectrophotometric analysis
50047420	2	ChEMBL_1572612 (CHEMBL3803145)	Inhibition of FAAH in rat brain membrane using anandamide[ethanolamine-3H] as substrate assessed as reduction in [3H]-ethanolamine production incubated for 30 mins by scintillation counting method
50047421	1	ChEMBL_1572794 (CHEMBL3804518)	Inhibition of recombinant VEGFR2 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047421	2	ChEMBL_1572796 (CHEMBL3804520)	Inhibition of recombinant FGFR1 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047421	3	ChEMBL_1572797 (CHEMBL3804521)	Inhibition of recombinant FGFR3 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047421	4	ChEMBL_1572798 (CHEMBL3804522)	Inhibition of recombinant FGFR4 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047421	5	ChEMBL_1572803 (CHEMBL3804527)	Inhibition of FGFR1 in human H1581 cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay
50047421	6	ChEMBL_1572804 (CHEMBL3804528)	Inhibition of FGFR1 in human KG1 cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay
50047421	7	ChEMBL_1572805 (CHEMBL3804529)	Inhibition of FGFR2 in human KATO III cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay
50047421	8	ChEMBL_1572806 (CHEMBL3804530)	Inhibition of FGFR3 in human RT112 cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay
50047421	9	ChEMBL_1572613 (CHEMBL3803146)	Inhibition of recombinant FGFR2 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047421	10	ChEMBL_1572615 (CHEMBL3803148)	Inhibition of recombinant FGFR2 in human SNU16 cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay
50047422	1	ChEMBL_1572807 (CHEMBL3804531)	Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method
50047422	2	ChEMBL_1572808 (CHEMBL3800738)	Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method
50047422	3	ChEMBL_1572816 (CHEMBL3800746)	Inhibition of human recombinant CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence analysis in presence of NADPH
50047422	4	ChEMBL_1572817 (CHEMBL3800747)	Inhibition of human recombinant CYP2D6 using AMMC as substrate incubated for 45 mins by fluorescence analysis in presence of NADPH
50047422	5	ChEMBL_1572821 (CHEMBL3800751)	Inhibition of human ERG1 expressed in CHO cells by whole cell patch clamp electrophysiology method
50047423	1	ChEMBL_1573039 (CHEMBL3802143)	Inhibition of human PAK4 using myelin basic protein as substrate incubated for 40 mins by scintillation counting method in presence of gamma[33P]ATP
50047424	1	ChEMBL_1573063 (CHEMBL3802167)	Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate measured over 40 mins by fluorescence based assay
50047424	2	ChEMBL_1573065 (CHEMBL3802169)	Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 assessed as enzyme inactivation using D-AMC substrate incubated for 2 hrs by fluorescence based assay
50047424	3	ChEMBL_1573073 (CHEMBL3802359)	Inhibition of porcine liver esterase using 4-nitrophenyl butyrate substrate assessed as reduction in p-nitrophenol release measured over 5 mins
50047425	1	ChEMBL_1573077 (CHEMBL3802363)	Inhibition of recombinant human GST-tagged JAK2 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr by Z'-LYTE assay
50006625	4	ChEMBL_163505 (CHEMBL772416)	Inhibition of post-traslational processing of Ras protein in RAT1 cell line
50047425	2	ChEMBL_1573078 (CHEMBL3802364)	Inhibition of JAK2 in GMCSF-stimulated human TF1 cells assessed as suppression of STAT5 phosphorylation preincubated for 2 hrs followed by GMCSF stimulation for 50 mins by FACS reader analysis
50047425	3	ChEMBL_1573079 (CHEMBL3802365)	Inhibition of recombinant human GST-tagged JAK3 expressed in baculovirus expression system using Z'-LYTE Try6 peptide as substrate incubated for 1 hr by Z'-LYTE assay
50047426	1	ChEMBL_1573276 (CHEMBL3803771)	Inhibition of human recombinant GSK3beta expressed in Escherichia coli using GS-1 as substrate incubated for 20 mins by gamma[32P]ATP-based scintillation counting analysis
50047427	1	ChEMBL_1573292 (CHEMBL3804024)	Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA
50047427	2	ChEMBL_1573293 (CHEMBL3804025)	Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA
50047428	1	ChEBML_1573310	Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay
50047428	7	ChEMBL_1573310 (CHEMBL3804042)	Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay
50047428	3	ChEMBL_1573312 (CHEMBL3804044)	Positive allosteric modulator activity at rat mGlu4 receptor
50047428	4	ChEMBL_1573499 (CHEMBL3801262)	Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate
50047428	5	ChEMBL_1573502 (CHEMBL3801265)	Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate
50047428	6	ChEMBL_1573501 (CHEMBL3801264)	Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate
50047428	2	ChEMBL_1573500 (CHEMBL3801263)	Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate
50047429	1	ChEMBL_1573531 (CHEMBL3801486)	Agonist activity at human D2S receptor expressed in HEK293 cells cotransfected with Gqi5 protein assessed as [3H]IP3 accumulation after 120 mins by scintillation counting assay in presence of myo-[3H]-inositol
50047429	2	ChEMBL_1573533 (CHEMBL3801488)	Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assay
50047429	3	ChEMBL_1573518 (CHEMBL3801473)	Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells
50047429	4	ChEMBL_1573519 (CHEMBL3801474)	Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells
50047429	5	ChEMBL_1573520 (CHEMBL3801475)	Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells
50047429	6	ChEMBL_1573521 (CHEMBL3801476)	Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells
50047429	7	ChEMBL_1573522 (CHEMBL3801477)	Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells
50047429	8	ChEMBL_1573523 (CHEMBL3801478)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50047429	9	ChEMBL_1573524 (CHEMBL3801479)	Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells
50047429	10	ChEMBL_1573529 (CHEMBL3801484)	Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by scintillation counting assay in presence of myo-[3H]-inositol
50047429	11	ChEMBL_1573535 (CHEMBL3801490)	Agonist activity at ARMS2-PK-tagged D2S receptor (unknown origin) transfected in HEK293 cells after 5 hrs by beta-arrestin assay
50047430	1	ChEMBL_1573539 (CHEMBL3801494)	Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrate preincubated for 2 hrs followed by substrate addition measured after 25 mins by SAC TAMRA tracer-based fluorescence polarization assay
50047430	2	ChEMBL_1573538 (CHEMBL3801493)	Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate preincubated for 2 hrs followed by substrate addition measured after 25 mins by SAC TAMRA tracer-based fluorescence polarization assay
50047430	3	ChEMBL_1573537 (CHEMBL3801492)	Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by substrate addition measured after 25 mins by SAC TAMRA tracer-based fluorescence polarization assay
50007207	5	ChEMBL_89710 (CHEMBL696413)	Inhibition ADP-induced (fibrinogen-mediated) platelet aggregation in human platelet-rich plasma (PRP)
50047431	1	ChEMBL_1573754 (CHEMBL3802938)	Binding affinity to human TP receptor
50047431	2	ChEMBL_1573753 (CHEMBL3802937)	Binding affinity to human FP receptor
50047431	3	ChEMBL_1573752 (CHEMBL3802936)	Binding affinity to human EP4 receptor
50047431	4	ChEMBL_1573751 (CHEMBL3802935)	Binding affinity to human EP3 receptor
50047431	5	ChEMBL_1573750 (CHEMBL3802934)	Binding affinity to human EP2 receptor
50047431	6	ChEMBL_1573749 (CHEMBL3802933)	Binding affinity to human IP receptor
50047432	1	ChEMBL_1573760 (CHEMBL3802944)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method
50047433	1	ChEMBL_1573761 (CHEMBL3802945)	Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method
50047433	2	ChEMBL_1573762 (CHEMBL3802946)	Antagonist activity at P2Y12 receptor (unknown origin)
50047433	3	ChEMBL_1573763 (CHEMBL3802947)	Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor by beta-counter analysis
50047433	4	ChEMBL_1573764 (CHEMBL3802948)	Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by microplate reader analysis
50047433	5	ChEMBL_1573765 (CHEMBL3802949)	Binding affinity to P2Y12 receptor (unknown origin)
50047433	6	ChEMBL_1573766 (CHEMBL3802950)	Antagonist activity at P2Y12 receptor (unknown origin) by GTPgammaS binding assay
50047433	7	ChEMBL_1573769 (CHEMBL3802953)	Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor in platelets by scintillation counter
50047433	8	ChEMBL_1573770 (CHEMBL3802954)	Displacement of [3H]-2-Mes-ADP from human P2Y12 receptor
50047433	9	ChEMBL_1573771 (CHEMBL3802955)	Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of ADP-induced platelet aggregation measured for 5 mins by light transmission analysis
50047434	1	ChEMBL_1573782 (CHEMBL3803203)	Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha
50047434	2	ChEMBL_1573781 (CHEMBL3803202)	Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis
50047434	3	ChEMBL_1573780 (CHEMBL3803201)	Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluorescence plate reader
50047435	1	ChEMBL_1573986 (CHEMBL3804598)	Inhibition of human recombinant JAK3 assessed as reduction in Ulight-CAGAGAIETDKEYYTVKD phosphorylation pre-incubated before substrate addition and measured after 60 mins by LANCE detection method
50047435	2	ChEMBL_1573985 (CHEMBL3804597)	Inhibition of human recombinant JAK2 expressed in Sf21 cells assessed as reduction in Ulight-CAGAGAIETDKEYYTVKD phosphorylation pre-incubated before substrate addition and measured after 60 mins by LANCE detection method
50047435	3	ChEMBL_1573984 (CHEMBL3804596)	Inhibition of human recombinant JAK1 assessed as reduction in Ulight-CAGAGAIETDKEYYTVKD phosphorylation pre-incubated before substrate addition and measured after 60 mins by LANCE detection method
50047435	4	ChEMBL_1573794 (CHEMBL3803215)	Inhibition of JAK1 (unknown origin)
50047435	5	ChEMBL_1573795 (CHEMBL3803216)	Inhibition of JAK2 (unknown origin)
50047435	6	ChEMBL_1573796 (CHEMBL3803217)	Inhibition of JAK3 (unknown origin)
50047436	1	ChEMBL_1574023 (CHEMBL3800839)	Inhibition of (bt)-VEGF165 binding to purified recombinant rat NRP1/Fc chimera measured after overnight incubation by ELISA method
50047437	1	ChEMBL_1574256 (CHEMBL3802439)	Inhibition of steroid sulfatase in human JEG-3 cells assessed as [14C]-Estrone formation using [3H]E1S as substrate
50047438	1	ChEBML_1574259	Inhibition of TPH1 (unknown origin)
50047438	2	ChEMBL_1574259 (CHEMBL3802442)	Inhibition of TPH1 (unknown origin)
50047439	1	ChEMBL_1574273 (CHEMBL3802456)	Competitive inhibition of human kallikrein-5
50047439	2	ChEMBL_1574274 (CHEMBL3802457)	Competitive inhibition of human kallikrein-7
50047439	3	ChEMBL_1574277 (CHEMBL3802460)	Inhibition of aromatase (unknown origin)
50047440	1	ChEMBL_1574289 (CHEMBL3802674)	Inhibition of recombinant wild type full length human GST-tagged B-Raf expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as substrate incubated for 1 hr by FRET-based Z'-LYTE assay
50047440	2	ChEMBL_1574288 (CHEMBL3802673)	Inhibition of recombinant human N-terminal GST-tagged B-Raf V600E mutant expressed in baculovirus expression system using Z'-LYTE Ser/Thr3 peptide as substrate incubated for 1 hr by FRET-based Z'-LYTE assay
50047441	1	ChEMBL_1574297 (CHEMBL3802682)	Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured for 10 to 30 mins by fluorescence plate reader analysis
50007355	4	ChEMBL_89593 (CHEMBL698785)	Inhibition of platelet aggregation induced by 20 uM adenosine 5'-diphosphate (ADP) in human platelet rich plasma (h-PRP).
50007355	5	ChEMBL_89594 (CHEMBL696531)	Inhibition of 20 uM ADP-induced platelet aggregation in human platelet-rich plasma
50047441	2	ChEMBL_1574299 (CHEMBL3802684)	Inhibition of human CYP1A2 expressed in Escherichia coli DH5-alpha
50047441	3	ChEMBL_1574308 (CHEMBL3802693)	Inhibition of MetAP2 in HUVEC assessed as accumulation of N-Met-14-3-3gamma after 24 hrs by Western blot method
50047442	1	ChEMBL_1574551 (CHEMBL3804623)	Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus (DE3)-RIL cells using MTOB as substrate after 15 mins by NADH consumption assay
50047443	1	ChEMBL_1574572 (CHEMBL3804644)	Inhibition of MIF (unknown origin) tautomerase activity using dopachrome as substrate
50047443	2	ChEMBL_1574571 (CHEMBL3804643)	Covalent inhibition of MIF (unknown origin) tautomerase activity using 4-hydroxyphenyl pyruvic acid as substrate
50047443	3	ChEMBL_1574570 (CHEMBL3804642)	Covalent inhibition of human MIF tautomerase activity expressed in Escherichia coli BL21 (DE3) using 4-hydroxyphenyl pyruvic acid as substrate
50047443	4	ChEMBL_1574569 (CHEMBL3804641)	Inhibition of human MIF tautomerase activity expressed in Escherichia coli BL21 (DE3) using 4-hydroxyphenyl pyruvic acid as substrate
50047443	5	ChEMBL_1574566 (CHEMBL3804638)	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as borate-enol complex formation incubated for 30 mins followed substrate addition by microplate reader
50047443	6	ChEMBL_1574567 (CHEMBL3804639)	Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as borate-enol complex formation incubated for 30 mins followed substrate addition by microplate reader
50047444	1	ChEMBL_1574573 (CHEMBL3800856)	Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry
50047446	1	ChEMBL_1575199 (CHEMBL3800919)	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate assessed as formation of p-nitrophenol preincubated for 10 mins followed by substrate addition by spectrophotometric method
50047447	1	ChEMBL_1575480 (CHEMBL3802768)	Inhibition of human NAMPT using NAM as substrate assessed as NMN formation preincubated for 5 mins followed by substrate addition measured after 15 mins by fluorometric assay
50007509	7	ChEMBL_200970 (CHEMBL802058)	Compound was tested for its binding affinity towards sigma 1 receptor using [3H](+)-pentazocine from guinea pig brain
50047448	1	ChEMBL_1575695 (CHEMBL3804704)	Inhibition of chymotrypsin-like activity of 20S human proteasome assessed as Suc-LLVY-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated for 15 mins by luminescence assay
50047448	2	ChEMBL_1575696 (CHEMBL3804705)	Inhibition of caspase-like activity of 20S human proteasome assessed as Z-nLPnLD-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated for 15 mins by luminescence assay
50047448	3	ChEMBL_1575697 (CHEMBL3804706)	Inhibition of trypsin-like activity of 20S human proteasome assessed as Z-LRR-AMC hydrolysis at using Promega proteasome-Glo-3 substrate incubated for 15 mins by luminescence assay
50047449	1	ChEMBL_1575699 (CHEMBL3804708)	Inhibition of aromatase in human placental microsomes using [1beta-3H]-androstenedione as substrate assessed as tritiated H2O release after 15 mins by liquid scintillation counting method
50047450	1	ChEMBL_1575705 (CHEMBL3800925)	Inhibition of human SERT W103A mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT and compound for 10 mins by micro-scintillation counter
50047450	2	ChEMBL_1575706 (CHEMBL3800926)	Inhibition of human SERT I179C mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT and compound for 10 mins by micro-scintillation counter
50007599	2	ChEMBL_81998 (CHEMBL691792)	Inhibition of HUVEC adhesion to fibrinogen-coated plates
50007599	3	ChEMBL_89881 (CHEMBL700824)	Inhibition of radiolabeled fibrinogen binding to activated human platelets
50007599	4	ChEMBL_90344 (CHEMBL697021)	Inhibition of radiolabeled fibrinogen binding to activated human platelets.
50007599	5	ChEMBL_82000 (CHEMBL691794)	Inhibition of HUVEC adhesion to fibrinogen-coated plates
50007599	6	ChEMBL_81999 (CHEMBL691793)	Inhibition of HUVEC adhesion to fibrinogen-coated plates
50047450	3	ChEMBL_1575707 (CHEMBL3800927)	Inhibition of human SERT I172M mutant expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT and compound for 10 mins by micro-scintillation counter
50047450	4	ChEMBL_1575704 (CHEMBL3800924)	Inhibition of wild-type human SERT expressed in HEK293 MSR cells assessed as [3H]-5-HT uptake preincubated for 30 mins followed addition of [3H]-5HT and compound for 10 mins by micro-scintillation counter
50047451	1	ChEMBL_1575927 (CHEMBL3802550)	Antagonist activity at wild type human glucagon receptor expressed in HEK293T cells assessed as inhibition of glucagon-induced cAMP accumulation incubated for 30 mins by TR-FRET assay
50047451	2	ChEMBL_1575731 (CHEMBL3800951)	Displacement of [125I]-glucagon from wild type human glucagon receptor expressed in CHO-K1 cells after 3 hrs by scintillation counting method
50047452	1	ChEMBL_1575935 (CHEMBL3802558)	Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated cAMP level preincubated for 10 mins followed by NECA stimulation by scintillation counting method in presence of [3H]-cyclic AMP
50047452	2	ChEMBL_1575938 (CHEMBL3802561)	Antagonist activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as suppression of CCPA-mediated inhibition of cAMP level by scintillation counting method in presence of [3H]-cyclic AMP
50047452	3	ChEMBL_1575939 (CHEMBL3802562)	Antagonist activity at human adenosine A2A receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated cAMP level preincubated for 10 mins followed by NECA stimulation by scintillation counting method in presence of [3H]-cyclic AMP
50047452	4	ChEMBL_1575928 (CHEMBL3802551)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method
50047452	5	ChEMBL_1575929 (CHEMBL3802552)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50047452	6	ChEMBL_1575930 (CHEMBL3802553)	Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50047453	1	ChEMBL_1575941 (CHEMBL3802564)	Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured within 10 mins by fluorescence assay
50047454	1	ChEBML_1575963	Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)
50047454	5	ChEMBL_1575963 (CHEMBL3802792)	Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)
50047454	9	ChEBML_1575957	Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins
50047454	4	ChEBML_1575952	Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047454	6	ChEBML_1575953	Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047454	3	ChEBML_1575957	Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins
50047454	2	ChEMBL_1575962 (CHEMBL3802791)	Agonist activity at human KOR expressed in EE-HEK293 cells
50047454	10	ChEMBL_1575958 (CHEMBL3802787)	Agonist activity at DOR in CD1 mouse vas deferens assessed as inhibition of EFS-induced contractions incubated for 60 mins
50047454	11	ChEBML_1575959	Antagonist activity at DOR in CD1 mouse vas deferens assessed as pEC50 for DPDPE-induced inhibition of EFS-evoked contractions at 1 uM incubated for 60 mins
50047454	12	ChEBML_1575952	Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047454	13	ChEBML_1575953	Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047454	14	ChEMBL_1575952 (CHEMBL3802781)	Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047454	15	ChEMBL_1575954 (CHEMBL3802783)	Displacement of [3H]-DPN from human KOR expressed in EE-HEK293 cell membranes by liquid scintillation counting
50047455	1	ChEMBL_1576582 (CHEMBL3807377)	Inhibition of FATP2 in human HepG2 cells assessed as decrease in fatty acid transport after 5 mins by trypan blue dye based fluorescence quenching method
50047456	1	ChEMBL_1576592 (CHEMBL3807387)	Inhibition of N-terminal GST-His-tagged c-KIT (544 to 976 amino acids) D816V mutant (unknown origin) expressed in Sf9 insect cells using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and subsequent inhibition for 2 hrs by radiometric assay
50047456	2	ChEMBL_1576591 (CHEMBL3807386)	Inhibition of wild type His-tagged c-KIT (544 to 976 amino acids) (unknown origin) expressed in insect cells using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and subsequent inhibition for 2 hrs by radiometric assay
50047457	1	ChEMBL_1576594 (CHEMBL3807389)	Inhibition of mushroom tyrosinase using L-tyrosine as a substrate after 30 mins by spectrophotometric method
50047458	1	ChEMBL_1576618 (CHEMBL3807536)	Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry
50047458	2	ChEMBL_1576617 (CHEMBL3807535)	Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay
50047458	3	ChEMBL_1576620 (CHEMBL3807538)	Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins by flow cytometry
50047459	1	ChEMBL_1577312 (CHEMBL3808043)	Inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by colorimetric assay
50047459	2	ChEMBL_1577311 (CHEMBL3808042)	Inhibition of human aryl sulfatase using p-nitrocatechol sulfate as substrate incubated for 30 mins by microplate reader analysis
50047459	3	ChEMBL_1577310 (CHEMBL3808041)	Inhibition of human estrone sulfatase expressed in CHO cells using estrone sulphate as substrate
50047459	4	ChEMBL_1577309 (CHEMBL3808040)	Inhibition of estrone sulfatase in human MCF7 cells using estrone sulphate as substrate
50047459	5	ChEMBL_1577308 (CHEMBL3808039)	Inhibition of estrone sulfatase human keratinocytes using DHEAS as substrate
50047459	6	ChEMBL_1577307 (CHEMBL3808038)	Inhibition of estrone sulfatase in human skin fibroblasts using DHEAS as substrate
50047459	7	ChEMBL_1577306 (CHEMBL3808037)	Inhibition of estrone sulfatase in human sebocytes using DHEAS as substrate
50047459	8	ChEMBL_1577305 (CHEMBL3808036)	Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate incubated for 20 mins by scintillation counting method
50047459	9	ChEMBL_1577238 (CHEMBL3807729)	Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate
50047459	10	ChEMBL_1577237 (CHEMBL3807728)	Reversible inhibition of estrone sulfatase (unknown origin) using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis
50047459	11	ChEMBL_1577236 (CHEMBL3807727)	Reversible inhibition of human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay
50047459	12	ChEMBL_1577235 (CHEMBL3807726)	Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by fluorimetric assay
50047459	13	ChEMBL_1577234 (CHEMBL3807725)	Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using E1S as substrate
50047459	14	ChEMBL_1577233 (CHEMBL3807724)	Inhibition of estrone sulfatase in human MCF7 cells using [3H]E1S as substrate incubated for 24 hrs by scintillation counting method
50047459	15	ChEMBL_1577232 (CHEMBL3807723)	Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation counting method
50047459	16	ChEMBL_1577229 (CHEMBL3807720)	Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins
50047459	17	ChEMBL_1577227 (CHEMBL3807718)	Inhibition of placental microsomal estrone sulfatase (unknown origin) using [6,7-3H]E1S as substrate incubated for 1 hr by scintillation spectrometric analysis
50047459	18	ChEMBL_1577226 (CHEMBL3807717)	Inhibition of estrone sulfatase in human MCF7 cells using [3H]-estrone sulphate as substrate incubated for 30 mins by liquid scintillation counting method
50047459	19	ChEMBL_1577225 (CHEMBL3807716)	Inhibition of estrone sulfatase in human JEG-3 cells using [3H]-estrone sulphate as substrate incubated for 1 hr by liquid scintillation counting method
50047459	20	ChEMBL_1577320 (CHEMBL3808051)	Inhibition of human placental microsomal estrone sulfatase using 4-methylumbelliferyl sulfate as substrate incubated for 1 hr by fluorescence assay
50047459	21	ChEMBL_1577321 (CHEMBL3808052)	Inhibition of recombinant human estrone sulfatase expressed in CHO cells using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis
50047459	22	ChEMBL_1577322 (CHEMBL3808053)	Reversible inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by Hanes plot analysis
50047459	23	ChEMBL_1577319 (CHEMBL3808050)	Non-competitive inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50047459	24	ChEMBL_1577318 (CHEMBL3808049)	Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 20 mins by scintillation counting method
50047459	25	ChEMBL_1577317 (CHEMBL3808048)	Inhibition of estrone sulfatase in human MCF7 cells
50047459	26	ChEMBL_1577316 (CHEMBL3808047)	Inhibition of estrone sulfatase in human JEG-3 cells using [3H]-estrone sulphate as substrate incubated for 4 hrs by liquid scintillation counting method
50047459	27	ChEMBL_1577314 (CHEMBL3808045)	Inhibition of human placental estrone sulfatase expressed in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation counting method
50047461	1	ChEMBL_1577419 (CHEMBL3806630)	Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET assay
50047461	2	ChEMBL_1577421 (CHEMBL3806632)	Inhibition of PI3Kdelta in human whole blood assessed as basophil degranulation by measuring CD63 surface expression on CCR3 positive cells after 60 mins by flow cytometric analysis
50047462	1	ChEMBL_1577525 (CHEMBL3806934)	Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence analysis
50007456	5	ChEMBL_141299 (CHEMBL748914)	The Compound was tested for the inhibition potency against Candida albicans N-myristoyltransferase (NMT) and reported as apparent Ki
50047462	2	ChEMBL_1577526 (CHEMBL3806935)	Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence analysis
50008968	4	ChEMBL_51428 (CHEMBL664123)	Effect on Ras processing in Cos-1 monkey kidney cells expressing either H-Ras-Val 12-CVLS or H-Ras-Val12.
50047462	3	ChEMBL_1577527 (CHEMBL3806936)	Inhibition of recombinant human N-terminal His-tagged SIRT5 (37 to 310 residues) expressed in Escherichia coli using Ac-Lys(Succ)-AMC as substrate incubated for 2 hrs by fluorescence analysis in presence of NAD+
50047462	4	ChEMBL_1577530 (CHEMBL3806939)	Inhibition of full length human recombinant N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence analysis in presence of NAD+
50047462	5	ChEMBL_1577531 (CHEMBL3806940)	Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence analysis in presence of NAD+
50047462	6	ChEMBL_1577532 (CHEMBL3806941)	Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence analysis in presence of NAD+
50047462	7	ChEMBL_1577533 (CHEMBL3806942)	Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence analysis
50047463	1	ChEBML_1577550	Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis
50047463	2	ChEBML_1577556	Inhibition of human recombinant cathepsin K using Cbz-Leu-Arg-AMC as substrate incubated for 30 mins measured for 20 mins by spectrofluorometrical analysis
50047463	3	ChEBML_1577555	Inhibition of human liver cathepsin L using Cbz-Phe-Arg-pNA as substrate incubated for 30 mins measured for 20 mins by photometrical analysis
50047463	4	ChEBML_1577554	Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 mins measured for 20 mins by spectrofluorometrical analysis
50047463	8	ChEMBL_1577556 (CHEMBL3807032)	Inhibition of human recombinant cathepsin K using Cbz-Leu-Arg-AMC as substrate incubated for 30 mins measured for 20 mins by spectrofluorometrical analysis
50047463	5	ChEMBL_1577553 (CHEMBL3807029)	Inhibition of human liver cathepsin B using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate at pH 4.5 incubated for 30 mins measured for 10 mins by photometrical analysis
50047463	9	ChEMBL_1577550 (CHEMBL3807026)	Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis
50047463	12	ChEMBL_1577554 (CHEMBL3807030)	Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 mins measured for 20 mins by spectrofluorometrical analysis
50047463	10	ChEMBL_1577552 (CHEMBL3807028)	Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 4.5 incubated for 30 mins measured for 20 mins by photometrical analysis
50047463	11	ChEMBL_1577551 (CHEMBL3807027)	Inhibition of human cathepsin B
50047464	1	ChEMBL_1577557 (CHEMBL3807033)	Inhibition of His-tagged human HK1 (11 to 917 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo assay in presence of MgATP
50047464	2	ChEMBL_1577558 (CHEMBL3807034)	Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo assay in presence of MgATP
50047464	3	ChEMBL_1577560 (CHEMBL3807036)	Inhibition of HK2 in human UM-UC-3 cells using 2FDG as substrate assessed as suppression of G6P production preincubated for 30 mins followed by substrate treatment for 90 mins by resazurin assay
50047464	4	ChEMBL_1577563 (CHEMBL3807039)	Competitive inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) assessed as formation of G6P by continuous G6P dehydrogenase coupled assay in presence of glucose
50047464	5	ChEMBL_1577565 (CHEMBL3807041)	Inhibition of HK4 (unknown origin)
50047465	1	ChEMBL_1577623 (CHEMBL3807231)	Inhibition of MALT1 (unknown origin) expressed in human Jurkat Clone K22 29Q_H23 cells assessed as IL2 production preincubated for 30 mins followed by PMA stimulation for 5.5 hrs by luciferase reporter gene assay
50047465	2	ChEMBL_1577621 (CHEMBL3807229)	Inhibition of MALT1 C domain (329 to 824 residues) (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg-Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by fluorescence lifetime-based microtitre plate reader analysis
50047466	1	ChEMBL_1577627 (CHEMBL3807235)	Inhibition of tankyrase in human DLD1 cells assessed as increase in axin2 level after 24 hrs by fluorescence analysis
50047466	2	ChEMBL_1577626 (CHEMBL3807234)	Inhibition of GST-tagged TNKS2 (873 to 1166 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA
50047466	3	ChEMBL_1577625 (CHEMBL3807233)	Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA
50047466	4	ChEMBL_1577624 (CHEMBL3807232)	Inhibition of human recombinant His-tagged PARP1 autoparsylation expressed in sf21 cells using NAD and biotinylated NAD incubated for 150 mins by HTRF assay
50047467	1	ChEMBL_1577630 (CHEMBL3807238)	Inhibition of full length human recombinant His-tagged CDK8/Cyclin C expressed in baculovirus expression system by fluorescence polarization assay
50008567	4	ChEMBL_30529 (CHEMBL643176)	Effect on the activity of membrane alanyl aminopeptidase (MAAP) is evaluated at at a concentration of 1 mM.
50008567	5	ChEMBL_30530 (CHEMBL643177)	Effect on the activity of membrane alanyl aminopeptidase (MAAP) is evaluated at the IC50 concentration for DPPIV.
50047467	2	ChEMBL_1577635 (CHEMBL3807243)	Inhibition of full length human recombinant His-tagged CDK9/Cyclin T expressed in baculovirus expression system using Cdk7/9tide as substrate by adapta assay
50047468	1	ChEMBL_1577772 (CHEMBL3807756)	Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis
50047469	1	ChEMBL_1577852 (CHEMBL3808086)	Inhibition of human liver cathepsin B using Cbz-RR-AMC as substrate by fluorometric assay
50047469	2	ChEMBL_1577853 (CHEMBL3808087)	Inhibition of m-calpain (unknown origin) using Suc-LY-AMC as substrate by fluorometric assay
50047470	1	ChEMBL_1577866 (CHEMBL3808209)	Inhibition of CETP in 95% human serum assessed as suppression of transfer of [3H]-cholesterol oleate/[3H]-triolein from LDL to HDL after 1 hr by liquid scintillation assay
50047471	1	ChEMBL_1577900 (CHEMBL3806437)	Inhibition of recombinant Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate assessed as residual enzymatic activity preincubated for 10 mins followed by substrate addition by fluorescence assay
50047472	1	ChEMBL_1577985 (CHEMBL3806684)	Inhibition of CYP1A2 (unknown origin) expressed in baculovirus infected insect cells using CEC as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	2	ChEMBL_1577986 (CHEMBL3806685)	Inhibition of CYP2C9 (unknown origin) expressed in baculovirus infected insect cells using MFC as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	3	ChEMBL_1577987 (CHEMBL3806686)	Inhibition of CYP2C19 (unknown origin) expressed in baculovirus infected insect cells using CEC as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	4	ChEMBL_1577988 (CHEMBL3806687)	Inhibition of CYP2D6 (unknown origin) expressed in baculovirus infected insect cells using AMMC as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	5	ChEMBL_1577989 (CHEMBL3806688)	Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect cells using BFC as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	6	ChEMBL_1577990 (CHEMBL3806689)	Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect cells using benzyloxyresorufin as susbtrate incubated for 45 mins by plate reader analysis in presence of NADP+
50047472	7	ChEMBL_1577991 (CHEMBL3806690)	Inhibition of CYP2C8 (unknown origin)
50047472	8	ChEMBL_1577958 (CHEMBL3806657)	Inhibition of IgG1 Fc-fused human recombinant BACE1 (1 to 460 residues) expressed in HEK293 cells using methylcoumarin peptide harboring Swedish mutant as substrate incubated for 20 hrs by FRET assay
50047472	9	ChEMBL_1577901 (CHEMBL3806438)	Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incubated for 19 hrs by microplate reader analysis
50047472	10	ChEMBL_1577972 (CHEMBL3806671)	Inhibition of human ERG by whole-cell patch clamp assay
50047473	1	ChEMBL_1577992 (CHEMBL3806691)	Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by automated voltage clamp analysis
50047473	2	ChEMBL_1577993 (CHEMBL3806692)	Inhibition of full length human Nav1.5 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by automated voltage clamp analysis
50047473	3	ChEMBL_1577995 (CHEMBL3806744)	Inhibition of full length human Nav1.1 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -40 mV by automated voltage clamp analysis
50047473	4	ChEMBL_1577996 (CHEMBL3806745)	Inhibition of full length human Nav1.2 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by automated voltage clamp analysis
50047473	5	ChEMBL_1577997 (CHEMBL3806746)	Inhibition of full length human Nav1.4 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 by automated voltage clamp analysis
50047473	6	ChEMBL_1577998 (CHEMBL3806747)	Inhibition of full length human Nav1.6 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -35 mV by automated voltage clamp analysis
50047473	7	ChEMBL_1577999 (CHEMBL3806748)	Inhibition of full length human Nav1.8 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at holding potential -20 mV by manual voltage clamp analysis
50047473	8	ChEMBL_1578000 (CHEMBL3806749)	Inhibition of Nav1.7 channel in mouse CAD cells by whole-cell patch clamp assay
50047473	9	ChEMBL_1578001 (CHEMBL3806750)	Inhibition of rat Nav1.7 channel by automated voltage clamp analysis
50047473	10	ChEMBL_1578009 (CHEMBL3806758)	Inhibition of CYP2C9 in human liver microsomes using warfarin as substrate after 30 mins by LC/MS/MS analysis
50047473	11	ChEMBL_1578010 (CHEMBL3806759)	Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate after 30 mins by LC/MS/MS analysis
50009458	3	ChEMBL_79534 (CHEMBL691015)	HEK cell adhesion mediated by alpha v beta 3 integrin
50009459	3	ChEMBL_86494 (CHEMBL696355)	Inhibition of platelet aggregation in human platelet rich plasma (PRP)
50047473	12	ChEMBL_1578011 (CHEMBL3806760)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC/MS/MS analysis
50047473	13	ChEMBL_1578012 (CHEMBL3806761)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC/MS/MS analysis
50047473	14	ChEMBL_1578093 (CHEMBL3806982)	Inhibition of full length human Nav1.3 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -50 mV by automated voltage clamp analysis
50047473	15	ChEMBL_1578094 (CHEMBL3807049)	Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta3 at -150 mV by manual voltage clamp analysis
50047473	16	ChEMBL_1578013 (CHEMBL3806762)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 30 mins by LC/MS/MS analysis
50047474	1	ChEMBL_1578113 (CHEMBL3807068)	Agonist activity at human S1P3 receptor by GTPgammaS binding assay
50047474	2	ChEMBL_1578114 (CHEMBL3807069)	Agonist activity at human S1P4 receptor by GTPgammaS binding assay
50047474	3	ChEMBL_1578115 (CHEMBL3807070)	Agonist activity at human S1P5 receptor by GTPgammaS binding assay
50047474	4	ChEMBL_1578107 (CHEMBL3807062)	Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
50047474	5	ChEMBL_1578108 (CHEMBL3807063)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as cAMP accumulation after 30 mins by HTRF analysis
50047474	6	ChEMBL_1578109 (CHEMBL3807064)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISA
50047474	7	ChEMBL_1578110 (CHEMBL3807065)	Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
50047474	8	ChEMBL_1578111 (CHEMBL3807066)	Agonist activity at human S1P1 receptor by GTPgammaS binding assay
50047474	9	ChEMBL_1578112 (CHEMBL3807067)	Antagonist activity at human S1P3 receptor by GTPgammaS binding assay
50047475	1	ChEMBL_1578233 (CHEMBL3807497)	Positive allosteric modulation of human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as potentiation of L-glutamate-induced Ca2+ signal incubated for 60 mins by calcium 4 dye based FLIPR assay
50047475	2	ChEMBL_1578234 (CHEMBL3807498)	Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method
50047475	3	ChEMBL_1578235 (CHEMBL3807499)	Displacement of [3H]MPEP in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method
50047475	4	ChEMBL_1578238 (CHEMBL3807502)	Agonist activity at human mGlu5A receptor expressed in HEK293 cells coexpressing rat glutamate-aspartate transporter assessed as induction of Ca2+ release by calcium 4 dye based FLIPR assay
50009814	5	ChEMBL_90585 (CHEMBL701169)	Binding affinity against human GluR6
50047475	5	ChEMBL_1578239 (CHEMBL3807503)	Agonist activity at mGlu5A receptor in primary rat cortical astrocytes
50047475	6	ChEMBL_1578394 (CHEMBL3808109)	Inhibition of human ERG by patch clamp method
50047475	7	ChEMBL_1578398 (CHEMBL3808113)	Inhibition of progesterone receptor (unknown origin)
50047476	1	ChEMBL_1578414 (CHEMBL3808129)	Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per millisec for 2 mins by real time fluorescence analysis
50047476	2	ChEMBL_1578413 (CHEMBL3808128)	Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis
50047477	1	ChEMBL_1578433 (CHEMBL3808250)	Agonist activity at human FP receptor expressed in human Chem1 cells assessed as increase in intracellular calcium level by fluorescence based analysis
50047477	2	ChEMBL_1578426 (CHEMBL3808243)	Agonist activity at human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method
50047477	3	ChEMBL_1578427 (CHEMBL3808244)	Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method
50047477	4	ChEMBL_1578425 (CHEMBL3808242)	Agonist activity at human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins by HTRF method
50047477	5	ChEMBL_1578429 (CHEMBL3808246)	Agonist activity at PK2-tagged human EP2 receptor expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin recruitment incubated for 90 mins by beta-galactosidase reporter gene assay
50047477	6	ChEMBL_1578432 (CHEMBL3808249)	Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis
50047477	7	ChEMBL_1578431 (CHEMBL3808248)	Agonist activity at human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level by fluorescence based analysis
50047478	1	ChEMBL_1576632 (CHEMBL3807550)	Positive allosteric modulation of recombinant human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect preincubated for 5 mins followed by glutamate stimulation for 3 mins by Fluo-4AM staining-based FLIPR assay
50047478	2	ChEMBL_1576664 (CHEMBL3807688)	Positive allosteric modulation of rat mGlu2 receptor assessed as potentiation of glutamate-induced effect by Fluo-4AM staining-based FLIPR assay
50047478	3	ChEMBL_1576653 (CHEMBL3807677)	Time dependent inhibition of CYP3A4 in human liver microsomes
50047478	4	ChEMBL_1576633 (CHEMBL3807551)	Agonist activity at recombinant human mGlu2 receptor expressed in CHO cells assessed as potentiation of glutamate-induced effect preincubated for 5 mins followed by glutamate stimulation for 3 mins by Fluo-4AM staining-based FLIPR assay
50047478	5	ChEMBL_1576635 (CHEMBL3807553)	Positive allosteric modulation of mGlu3 receptor (unknown origin)
50047478	6	ChEMBL_1576636 (CHEMBL3807554)	Positive allosteric modulation of mGlu4 receptor (unknown origin)
50047478	7	ChEMBL_1576637 (CHEMBL3807555)	Positive allosteric modulation of mGlu5 receptor (unknown origin)
50047478	8	ChEMBL_1576638 (CHEMBL3807556)	Positive allosteric modulation of mGlu6 receptor (unknown origin)
50047479	1	ChEMBL_1576764 (CHEMBL3808001)	Inhibition of CYP3A4 (unknown origin)
50047479	2	ChEMBL_1576765 (CHEMBL3808002)	Inhibition of CYP2D6 (unknown origin)
50047479	3	ChEMBL_1576766 (CHEMBL3808003)	Inhibition of CYP2C8 (unknown origin)
50047479	4	ChEMBL_1576767 (CHEMBL3808004)	Inhibition of CYP2C9 (unknown origin)
50047479	5	ChEMBL_1576768 (CHEMBL3808005)	Inhibition of CYP1A2 (unknown origin)
50047480	1	ChEMBL_1576883 (CHEMBL3806592)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis
50047480	2	ChEMBL_1576884 (CHEMBL3806593)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis
50047480	3	ChEMBL_1576885 (CHEMBL3806594)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50047480	4	ChEMBL_1576886 (CHEMBL3806595)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50047480	5	ChEMBL_1576820 (CHEMBL3806366)	Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay
50010155	4	ChEMBL_46512 (CHEMBL659306)	Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-1.
50010155	5	ChEMBL_46509 (CHEMBL659303)	Compound was evaluated for the inhibitory activity against caspase-1
50010155	6	ChEMBL_46511 (CHEMBL659305)	Evaluated for dissociation constant for the inhibition of caspase.
50010155	7	ChEMBL_46510 (CHEMBL659304)	Evaluated for dissociation constant for the inhibition of caspase-1
50047481	1	ChEMBL_1576892 (CHEMBL3806601)	Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer
50047481	2	ChEMBL_1576891 (CHEMBL3806600)	Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer
50047482	1	ChEMBL_1576906 (CHEMBL3806615)	Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting analysis
50010320	7	ChEMBL_144043 (CHEMBL884515)	Potency was determined by measuring current activation in Xenopus oocytes expressing rat Nicotinic acetylcholine receptor alpha7
50047482	2	ChEMBL_1576909 (CHEMBL3806618)	Inhibition of human ERG expressed in HEK293 cells assessed as tail current at -50 mV holding potential by whole-cell patch clamp method
50047483	1	ChEMBL_1577003 (CHEMBL3806916)	Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP
50047483	2	ChEMBL_1577131 (CHEMBL3807302)	Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay
50047483	3	ChEMBL_1577132 (CHEMBL3807303)	Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay
50047483	4	ChEMBL_1577133 (CHEMBL3807304)	Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay
50047483	5	ChEMBL_1577134 (CHEMBL3807305)	Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by cell titer-glo assay
50047483	6	ChEMBL_1577145 (CHEMBL3807407)	Inhibition of TRKA (unknown origin) in presence of gamma33-ATP
50047483	7	ChEMBL_1577146 (CHEMBL3807408)	Inhibition of recombinant human TRKB incubated for 90 mins by selectscreen kinase assay
50047483	8	ChEMBL_1577147 (CHEMBL3807409)	Inhibition of recombinant human TRKC incubated for 90 mins by selectscreen kinase assay
50047483	9	ChEMBL_1577148 (CHEMBL3807410)	Inhibition of ROS1 (unknown origin) in presence of gamma33-ATP
50047483	10	ChEMBL_1577149 (CHEMBL3807411)	Inhibition of JAK2 (unknown origin) in presence of gamma33-ATP
50047483	11	ChEMBL_1577150 (CHEMBL3807412)	Inhibition of ACK1 (unknown origin) in presence of gamma33-ATP
50047483	12	ChEMBL_1577151 (CHEMBL3807413)	Inhibition of JAK1 (unknown origin) in presence of gamma33-ATP
50047483	13	ChEMBL_1577152 (CHEMBL3807414)	Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP
50047483	14	ChEMBL_1577153 (CHEMBL3807415)	Inhibition of FAK (unknown origin) in presence of gamma33-ATP
50047483	15	ChEMBL_1577154 (CHEMBL3807416)	Inhibition of FLT3 (unknown origin) in presence of gamma33-ATP
50047483	16	ChEMBL_1577155 (CHEMBL3807417)	Inhibition of BRK (unknown origin) in presence of gamma33-ATP
50047483	17	ChEMBL_1577156 (CHEMBL3807418)	Inhibition of IR (unknown origin) in presence of gamma33-ATP
50047483	18	ChEMBL_1577157 (CHEMBL3807419)	Inhibition of AUR2 (unknown origin) in presence of gamma33-ATP
50047483	19	ChEMBL_1577158 (CHEMBL3807420)	Inhibition of JAK3 (unknown origin) in presence of gamma33-ATP
50047483	20	ChEMBL_1577159 (CHEMBL3807421)	Inhibition of RET (unknown origin) in presence of gamma33-ATP
50047483	21	ChEMBL_1577160 (CHEMBL3807422)	Inhibition of FGFR1 (unknown origin) in presence of gamma33-ATP
50047483	22	ChEMBL_1577161 (CHEMBL3807423)	Inhibition of VEGFR2 (unknown origin) in presence of gamma33-ATP
50047483	23	ChEMBL_1577162 (CHEMBL3807424)	Inhibition of VEGFR3 (unknown origin) in presence of gamma33-ATP
50047483	24	ChEMBL_1577163 (CHEMBL3807425)	Inhibition of LCK (unknown origin) in presence of gamma33-ATP
50047483	25	ChEMBL_1577164 (CHEMBL3807426)	Inhibition of KIT (unknown origin) in presence of gamma33-ATP
50047483	26	ChEMBL_1577165 (CHEMBL3807427)	Inhibition of AUR1 (unknown origin) in presence of gamma33-ATP
50047483	27	ChEMBL_1577166 (CHEMBL3807428)	Inhibition of ABL (unknown origin) in presence of gamma33-ATP
50047483	28	ChEMBL_1577167 (CHEMBL3807429)	Inhibition of PKCbeta (unknown origin) in presence of gamma33-ATP
50047483	29	ChEMBL_1577168 (CHEMBL3807430)	Inhibition of CDK2/CycA (unknown origin) in presence of gamma33-ATP
50047483	30	ChEMBL_1577169 (CHEMBL3807431)	Inhibition of SYK (unknown origin) in presence of gamma33-ATP
50047483	31	ChEMBL_1577170 (CHEMBL3807432)	Inhibition of AKT1 (unknown origin) in presence of gamma33-ATP
50047483	32	ChEMBL_1577171 (CHEMBL3807433)	Inhibition of CDC7/DBF4 (unknown origin) in presence of gamma33-ATP
50047483	33	ChEMBL_1577172 (CHEMBL3807434)	Inhibition of CHK1 (unknown origin) in presence of gamma33-ATP
50047483	34	ChEMBL_1577174 (CHEMBL3807436)	Inhibition of EEF2K (unknown origin) in presence of gamma33-ATP
50047483	35	ChEMBL_1577175 (CHEMBL3807437)	Inhibition of EGFR1 (unknown origin) in presence of gamma33-ATP
50047483	36	ChEMBL_1577176 (CHEMBL3807438)	Inhibition of ERK2 (unknown origin) in presence of gamma33-ATP
50047483	37	ChEMBL_1577177 (CHEMBL3807439)	Inhibition of GSK3beta (unknown origin) in presence of gamma33-ATP
50047483	38	ChEMBL_1577178 (CHEMBL3807440)	Inhibition of IKK2 (unknown origin) in presence of gamma33-ATP
50047483	39	ChEMBL_1577179 (CHEMBL3807441)	Inhibition of MAPKAPK2 (unknown origin) in presence of gamma33-ATP
50047483	40	ChEMBL_1577180 (CHEMBL3807442)	Inhibition of MELK (unknown origin) in presence of gamma33-ATP
50047483	41	ChEMBL_1577181 (CHEMBL3807443)	Inhibition of MET (unknown origin) in presence of gamma33-ATP
50047483	42	ChEMBL_1577182 (CHEMBL3807444)	Inhibition of MPS1 (unknown origin) in presence of gamma33-ATP
50047483	43	ChEMBL_1577183 (CHEMBL3807445)	Inhibition of MST4 (unknown origin) in presence of gamma33-ATP
50047483	44	ChEMBL_1577184 (CHEMBL3807446)	Inhibition of NEK6 (unknown origin) in presence of gamma33-ATP
50047483	45	ChEMBL_1577242 (CHEMBL3807733)	Inhibition of NIM1 (unknown origin) in presence of gamma33-ATP
50047483	46	ChEMBL_1577243 (CHEMBL3807734)	Inhibition of P38alpha (unknown origin) in presence of gamma33-ATP
50047483	47	ChEMBL_1577244 (CHEMBL3807735)	Inhibition of PAK4 (unknown origin) in presence of gamma33-ATP
50047483	48	ChEMBL_1577245 (CHEMBL3807849)	Inhibition of PDGFRbeta (unknown origin) in presence of gamma33-ATP
50047483	49	ChEMBL_1577246 (CHEMBL3807850)	Inhibition of PDK1 (unknown origin) in presence of gamma33-ATP
50047483	50	ChEMBL_1577247 (CHEMBL3807851)	Inhibition of PERK (unknown origin) in presence of gamma33-ATP
50047483	51	ChEMBL_1577248 (CHEMBL3807852)	Inhibition of PIM1 (unknown origin) in presence of gamma33-ATP
50047483	52	ChEMBL_1577249 (CHEMBL3807853)	Inhibition of PKAalpha (unknown origin) in presence of gamma33-ATP
50047483	53	ChEMBL_1577250 (CHEMBL3807854)	Inhibition of PLK1 (unknown origin) in presence of gamma33-ATP
50047483	54	ChEMBL_1577252 (CHEMBL3807856)	Inhibition of ZAP70 (unknown origin) in presence of gamma33-ATP
50047483	55	ChEMBL_1577272 (CHEMBL3807876)	Inhibition of recombinant ALK (unknown origin)
50047484	1	ChEMBL_1577379 (CHEMBL3806420)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 incubated for 60 mins by liquid scintillation counting method
50047484	2	ChEMBL_1577383 (CHEMBL3806424)	Agonist activity at human histamine H2 receptor expressed in sf9 cell membrane co-expressing Gsalphas incubated for 90 mins by [35S]GTPgammaS binding assay
50047484	3	ChEMBL_1577388 (CHEMBL3806522)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 60 mins by liquid scintillation counting method
50047484	4	ChEMBL_1577389 (CHEMBL3806523)	Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 mins by [35S]GTPgammaS binding assay
50047484	5	ChEMBL_1577385 (CHEMBL3806426)	Displacement of [3H]tiotidine from human histamine H2 receptor expressed in sf9 cell membrane co-expressing Gsalphas incubated for 60 mins by liquid scintillation counting method
50047484	6	ChEMBL_1577386 (CHEMBL3806427)	Agonist activity at human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 mins by [35S]GTPgammaS binding assay
50047484	7	ChEMBL_1577392 (CHEMBL3806526)	Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 60 mins by liquid scintillation counting method
50047484	8	ChEMBL_1577393 (CHEMBL3806527)	Agonist activity at human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 or RGS9 assessed as increase in 32Pi level incubated for 20 mins by liquid scintillation counting in presence of [gamma32P]GTP
50047484	9	ChEMBL_1577394 (CHEMBL3806528)	Agonist activity at human SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incubated for 5 hrs by luciferase reporter gene assay
50047484	10	ChEMBL_1577396 (CHEMBL3806530)	Agonist activity at mouse SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incubated for 5 hrs by luciferase reporter gene assay
50047484	11	ChEMBL_1577407 (CHEMBL3806541)	Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-stimulated cAMP production incubated for 6 hrs by CRE/beta-galactosidase reporter gene assay
50047484	12	ChEMBL_1577458 (CHEMBL3806731)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cell membrane incubated for 60 mins by liquid scintillation counting method
50047484	13	ChEMBL_1577459 (CHEMBL3806732)	Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cell membrane incubated for 60 mins by liquid scintillation counting method
50047484	14	ChEMBL_1577461 (CHEMBL3806734)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells incubated for 40 mins
50047484	15	ChEMBL_1577462 (CHEMBL3806735)	Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cell membrane incubated for 60 mins
50047484	16	ChEMBL_1577463 (CHEMBL3806736)	Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 cells co-expressing mammalian Galphai2 and Gbeta1gamma2
50047485	1	ChEMBL_1577465 (CHEMBL3806738)	Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by mobility shift assay
50047485	2	ChEMBL_1577464 (CHEMBL3806737)	Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using FL-peptide 2 substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by mobility shift assay
50047485	3	ChEMBL_1577467 (CHEMBL3806740)	Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system using FL-peptide 2 substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by mobility shift assay
50047485	4	ChEMBL_1577466 (CHEMBL3806739)	Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by mobility shift assay
50047485	5	ChEMBL_1577478 (CHEMBL3806820)	Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	6	ChEMBL_1577479 (CHEMBL3806821)	Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	7	ChEMBL_1577480 (CHEMBL3806822)	Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	8	ChEMBL_1577477 (CHEMBL3806819)	Inhibition of human recombinant c-KIT expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	9	ChEMBL_1577481 (CHEMBL3806823)	Inhibition of human recombinant FGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	10	ChEMBL_1577482 (CHEMBL3806824)	Inhibition of human recombinant PDGFRalpha expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	11	ChEMBL_1577483 (CHEMBL3806825)	Inhibition of human recombinant PDGFRbeta expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP
50047485	12	ChEMBL_1577486 (CHEMBL3806828)	Inhibition of CYP3A4 (unknown origin)
50047485	13	ChEMBL_1577487 (CHEMBL3806829)	Inhibition of CYP2D6 (unknown origin)
50047486	1	ChEMBL_1577592 (CHEMBL3807136)	Inhibition of human recombinant DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis
50047486	2	ChEMBL_1577591 (CHEMBL3807135)	Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate production incubated for 60 mins by microplate reader analysis
50047486	3	ChEMBL_1577590 (CHEMBL3807134)	Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reader analysis
50047487	1	ChEMBL_1577690 (CHEMBL3807471)	Inhibition of Akt1 (unknown origin) expressed in Escherichia coli using peptide substrate after 1 hr by HTRF assay
50047487	2	ChEMBL_1577735 (CHEMBL3807613)	Inhibition of Akt1 (unknown origin) after 1 hr by HTRF assay
50047487	3	ChEMBL_1577736 (CHEMBL3807614)	Inhibition of Akt2 (unknown origin) by mobility shift assay
50047487	4	ChEMBL_1577737 (CHEMBL3807615)	Inhibition of Akt3 (unknown origin) by mobility shift assay
50047487	5	ChEMBL_1577786 (CHEMBL3807893)	Inhibition of RSK1 (unknown origin) by Z-LYTE kinase assay
50047487	6	ChEMBL_1577787 (CHEMBL3807894)	Inhibition of P70S6K (unknown origin) by mobility shift assay
50047487	7	ChEMBL_1577788 (CHEMBL3807895)	Inhibition of ROCK1 (unknown origin) by mobility shift assay
50047487	8	ChEMBL_1577789 (CHEMBL3807896)	Inhibition of PDK1 (unknown origin) by mobility shift assay
50047487	9	ChEMBL_1577790 (CHEMBL3807897)	Inhibition of SGK (unknown origin) by mobility shift assay
50047487	10	ChEMBL_1577791 (CHEMBL3807898)	Inhibition of MSK1 (unknown origin) by mobility shift assay
50047487	11	ChEMBL_1577792 (CHEMBL3807899)	Inhibition of PRKG1 (unknown origin) by mobility shift assay
50047487	12	ChEMBL_1577793 (CHEMBL3807900)	Inhibition of mouse TSSK1 by luminescent ADP-Glo assay kit
50047487	13	ChEMBL_1577794 (CHEMBL3807901)	Inhibition of ABL (unknown origin) by mobility shift assay
50047487	14	ChEMBL_1577795 (CHEMBL3807902)	Inhibition of JAK2 (unknown origin) by mobility shift assay
50047487	15	ChEMBL_1577796 (CHEMBL3807903)	Inhibition of BRAF (unknown origin) after 1 hr by HTRF assay
50047487	16	ChEMBL_1577797 (CHEMBL3807904)	Inhibition of ALK (unknown origin) by mobility shift assay
50047487	17	ChEMBL_1577798 (CHEMBL3807905)	Inhibition of N-terminal GST tagged recombinant full-length human CHK1 expressed in baculovirus Sf9 insect cells after 10 mins by luminescent ADP-Glo assay
50047487	18	ChEMBL_1577799 (CHEMBL3807906)	Inhibition of PI3Kalpha (unknown origin) after 10 mins by Kinase-Glo Luminescent Assay
50047487	19	ChEMBL_1577800 (CHEMBL3807907)	Inhibition of mTOR (unknown origin) by lance ultra assay
50047487	20	ChEMBL_1577801 (CHEMBL3807908)	Inhibition of JNK2 (unknown origin) by mobility shift assay
50047487	21	ChEMBL_1577802 (CHEMBL3807909)	Inhibition of CDK2/cyclin A (unknown origin) after 60 mins by Z-LYTE kinase assay
50047487	22	ChEMBL_1577803 (CHEMBL3807910)	Inhibition of GSK3beta (unknown origin) after 60 mins by Z-LYTE kinase assay
50047487	23	ChEMBL_1577804 (CHEMBL3807911)	Inhibition of Aurora A (unknown origin) after 1 hr by HTRF assay
50047488	1	ChEMBL_1577811 (CHEMBL3807918)	Displacement of [3H](+)-Pentazocine from Sigma1 receptor in guinea pig brain membrane by liquid scintillation counting analysis
50047488	2	ChEMBL_1577807 (CHEMBL3807914)	Displacement of [3H](+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting analysis
50047489	1	ChEMBL_1577821 (CHEMBL3808055)	Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in HIV1 infected human CIP4 cells after 2 days by luciferase reporter gene assay
50047489	2	ChEMBL_1577822 (CHEMBL3808056)	Inhibition of pseudotype HIV1 integrase strand transfer activity assessed as reduction in viral replication in in HIV1 infected human CIP4 cells after 2 days in presence of 40% human serum albumin by luciferase reporter gene assay
50047490	1	ChEMBL_1577950 (CHEMBL3806574)	Inhibition of porcine kidney leucine aminopeptidase M17 using Leu-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis
50047490	2	ChEMBL_1577954 (CHEMBL3806578)	Inhibition of pig kidney alanyl aminopeptidase M1 using L-leucine p-nitro-anilide as substrate by spectrophotometric analysis
50047490	3	ChEMBL_1577955 (CHEMBL3806579)	Inhibition of porcine kidney leucine aminopeptidase M17 using L-leucine p-nitro-anilide as substrate by spectrophotometric analysis
50047490	4	ChEMBL_1577952 (CHEMBL3806576)	Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis
50047490	5	ChEMBL_1577953 (CHEMBL3806577)	Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis
50047491	1	ChEMBL_1578159 (CHEMBL3807172)	Inhibition of recombinant LSD1 (157 to 852 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate
50047492	1	ChEBML_1578163	Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA
50047492	10	ChEMBL_1578163 (CHEMBL3807245)	Inhibition of HIV1 integrase using 3'-biotin-labelled and 5'-digoxigenin-labelled oligonucleotide substrate incubated for 1 hr by ELISA
50047492	3	ChEMBL_1578164 (CHEMBL3807246)	Inhibition of HIV1 integrase strand transfer activity using 5'[digoxigenin]-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCA-3' as substrate incubated for 1 hr by ELISA
50047492	5	ChEMBL_1578257 (CHEMBL3807521)	Inhibition of human recombinant CYP3A4 using BFC as substrate incubated for 30 mins by fluorimetry
50047492	7	ChEMBL_1578287 (CHEMBL3807655)	Inhibition of human ERG expressed in CHOK1 cells assessed as inhibition of tail current after 5 mins by automated whole-cell patch clamp assay
50047492	4	ChEMBL_1578175 (CHEMBL3807257)	Inhibition of human recombinant CYP1A2 using CEC as substrate incubated for 30 mins by fluorimetry
50047492	8	ChEMBL_1578177 (CHEMBL3807259)	Inhibition of human recombinant CYP2C9 using MFC as substrate incubated for 40 mins by fluorimetry
50047492	9	ChEMBL_1578259 (CHEMBL3807523)	Inhibition of human recombinant CYP2D6 using MFC as substrate incubated for 40 mins by fluorimetry
50047492	6	ChEMBL_1578255 (CHEMBL3807519)	Inhibition of human recombinant CYP2C19 using CEC as substrate incubated for 50 mins by fluorimetry
50047492	2	ChEMBL_1578161 (CHEMBL3807174)	Inhibition of HIV1 integrase 3'-processing activity using 5'-ACTGCTAGAGATTTTCCACACTGACTAAAAGGGTC-[biotin]3' as substrate incubated for 1 hr by ELISA
50047493	1	ChEMBL_1578294 (CHEMBL3807662)	Inhibition of DPP8 (unknown origin)
50047493	2	ChEMBL_1578293 (CHEMBL3807661)	Inhibition of human DPP4
50047493	3	ChEMBL_1578295 (CHEMBL3807663)	Inhibition of human FAP
50047493	4	ChEMBL_1578296 (CHEMBL3807664)	Inhibition of human ERG
50047493	5	ChEMBL_1578298 (CHEMBL3807666)	Inhibition of CYP2D6 (unknown origin)
50047493	6	ChEMBL_1578313 (CHEMBL3807776)	Inhibition of CYP3A4 (unknown origin)
50047493	7	ChEMBL_1578314 (CHEMBL3807777)	Inhibition of CYP2C9 (unknown origin)
50047494	1	ChEMBL_1576854 (CHEMBL3806498)	Inhibition of recombinant Escherichia coli thymidine phosphorylase using thymidine as substrate measured after 10 mins at 30 degC by spectrophotometric method
50047495	1	ChEMBL_1576856 (CHEMBL3806500)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate measured for 30 mins by fluorescence assay
50047495	2	ChEMBL_1576857 (CHEMBL3806501)	Inhibition of human 20S proteasome tryptic beta2-like activity using Z-ARR-AMC as substrate measured for 30 mins by fluorescence assay
50047495	3	ChEMBL_1576858 (CHEMBL3806502)	Inhibition of human 20S proteasome caspase beta1-like activity using Z-LLE-AMC as substrate measured for 30 mins by fluorescence assay
50047495	4	ChEMBL_1576874 (CHEMBL3806518)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate assessed as fluorescence quinching control by fluorescence assay
50047495	5	ChEMBL_1576875 (CHEMBL3806519)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human UTMC2 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	6	ChEMBL_1576927 (CHEMBL3806708)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KMH11 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	7	ChEMBL_1576928 (CHEMBL3806709)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KMS18 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	8	ChEMBL_1576929 (CHEMBL3806710)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human OCI-AML2 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	9	ChEMBL_1576930 (CHEMBL3806711)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human NB4 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	10	ChEMBL_1576931 (CHEMBL3806712)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human KG1A cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	11	ChEMBL_1576932 (CHEMBL3806713)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human MDAY-D2 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047495	12	ChEMBL_1576933 (CHEMBL3806714)	Inhibition of human 20S proteasome chymotryptic-like activity using Suc-LLVY-AMC as substrate expressed in human K562 cells assessed as free 7-amino-4-methylcoumarin release preincubated for 22 hrs followed by substrate addition by fluorescent spectrophotometric analysis
50047496	1	ChEMBL_1576943 (CHEMBL3806786)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as reduction in H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins Amplex red dye based fluorimetric method
50047496	2	ChEMBL_1576945 (CHEMBL3806788)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as reduction in H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins Amplex red dye based fluorimetric method
50047497	1	ChEMBL_1576948 (CHEMBL3806791)	Inhibition of human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50047497	2	ChEMBL_1576949 (CHEMBL3806792)	Inhibition of human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50047497	3	ChEMBL_1576950 (CHEMBL3806793)	Inhibition of human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50047497	4	ChEMBL_1576951 (CHEMBL3806794)	Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay
50047498	1	ChEMBL_1576956 (CHEMBL3806799)	Inhibition of recombinant human aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate measured at anoxic conditions by fluorescence analysis
50047499	1	ChEMBL_1576959 (CHEMBL3806802)	Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay
50047499	2	ChEMBL_1576958 (CHEMBL3806801)	Agonistic activity at human 5-HT1A receptor measured after 60 mins by Ultra Lance cAMP assay
50047499	3	ChEMBL_1576957 (CHEMBL3806800)	Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay
50047499	4	ChEMBL_1576971 (CHEMBL3806884)	Inhibition of human ERG after 10 mins
50047499	5	ChEMBL_1576970 (CHEMBL3806883)	Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay
50047499	6	ChEMBL_1576969 (CHEMBL3806812)	Antagonistic activity at histamine1 receptor (unknown origin) after 10 mins by FLIPR assay
50047499	7	ChEMBL_1576968 (CHEMBL3806811)	Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay
50012600	9	ChEMBL_2668 (CHEMBL617916)	In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane
50047500	1	ChEMBL_1577035 (CHEMBL3807011)	Displacement of Fluormone ES2 from human recombinant full length untagged-ERalpha by fluorescence polarization competition binding assay
50047500	2	ChEMBL_1577036 (CHEMBL3807012)	Antagonist activity at ERalpha (unknown origin) transfected in 17beta-estradiol induced-HEK293 cells assessed as inhibition of estradiol-mediated protein transcriptional activity after 8 hrs by Luciferase reporter gene assay
50047501	1	ChEMBL_1577039 (CHEMBL3807015)	Inhibition of His-tagged human recombinant caspase 3 expressed in Escherichia coli using acetyl-Asp-Glu-Val-Asp-7- amido-4-methylcoumarin (Ac-DEVD-AMC) as substrate by fluorimetric assay
50012681	2	ChEMBL_67185 (CHEMBL677953)	Agonist effect on transcriptional activation of T47D cells expressing human estrogen receptor beta
50047501	2	ChEMBL_1577038 (CHEMBL3807014)	Inhibition of His-tagged human recombinant caspase 7 expressed in Escherichia coli using acetyl-Asp-Glu-Val-Asp-7- amido-4-methylcoumarin (Ac-DEVD-AMC) as substrate by fluorimetric assay
50047502	1	ChEMBL_1577079 (CHEMBL3807184)	Inhibition of human ERG expressed in cell membranes after 4 hrs by fluorescence polarization assay
50047502	2	ChEMBL_1577058 (CHEMBL3807104)	Agonist activity at human GPR40 expressed in CHO cells by calcium influx assay
50047502	3	ChEMBL_1577061 (CHEMBL3807107)	Agonist activity at human GPR120 (unknown origin) expressed in CHO cells by calcium influx assay
50047502	4	ChEMBL_1577060 (CHEMBL3807106)	Agonist activity at human GPR43 (unknown origin) expressed in CHO cells by calcium influx assay
50047502	5	ChEMBL_1577059 (CHEMBL3807105)	Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay
50047503	1	ChEMBL_1577082 (CHEMBL3807187)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 hr by kinase-glo luminescence assay
50011707	5	ChEMBL_106133 (CHEMBL718681)	Inhibition of Matrix metalloprotease-1 (MMP-1)
50011707	1	ChEMBL_217975 (CHEMBL824094)	In vitro amphiregulin shedding inhibition
50047503	2	ChEMBL_1577081 (CHEMBL3807186)	Inhibition of wild type EGFR (unknown origin) autophosphorylation preincubated for 30 mins followed by ATP addition measured after 1 hr by kinase-glo luminescence assay
50047503	3	ChEMBL_1577080 (CHEMBL3807185)	Competitive binding affinity to EGFR (unknown origin) ATP binding site
50047504	1	ChEMBL_1577194 (CHEMBL3807568)	Inhibition of recombinant His6-tagged EGFR (unknown origin) cytoplasmic domain (645 to 1186 residues) autophosphorylation expressed in baculovirus infected Sf9 insect cells after 10 mins by DELFIA/time-resolved fluorometric analysis
50047504	2	ChEMBL_1577193 (CHEMBL3807567)	Inhibition of mouse c-Raf assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 addition and measured after 25 mins
50047504	3	ChEMBL_1577192 (CHEMBL3807566)	Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 addition and measured after 25 mins
50047505	1	ChEMBL_1580703 (CHEMBL3811149)	Inhibition of human BSEP expressed in recombinant baculovirus infected insect Sf9 cell membrane vesicles assessed as [3H]-taurocholate transport preincubated for 5 mins followed by ATP or AMP addition measured after 5 mins by scintillation counting method
50047505	2	ChEMBL_1580690 (CHEMBL3811136)	Inhibition of recombinant human N-terminal GST-tagged MK2 (46 to 400 residues) expressed in Escherichia coli in presence of radiolabelled ATP by radiometric assay
50047505	3	ChEMBL_1580289 (CHEMBL3811955)	Inhibition of MK2 in human U937 cells assessed as reduction in LPS-stimulated HSP27 phosphorylation at Ser82 preincubated for 1 hr followed by LPS addition measured after 30 mins by Western blot analysis
50047506	1	ChEMBL_1580704 (CHEMBL3811150)	Agonist activity at mouse GPR119 receptor cotransformed in Saccharomyces cerevisiae cells after 4 hrs by fluorescent Fus1p-LacZ reporter gene assay
50047506	2	ChEMBL_1580705 (CHEMBL3811151)	Agonist activity at human GPR119 receptor expressed in HEK293 cells after 30 mins by cAMP assay
50047506	3	ChEMBL_1580706 (CHEMBL3811152)	Agonist activity at human GPR119 receptor cotransformed in Saccharomyces cerevisiae cells after by fluorescent reporter gene assay
50047506	4	ChEMBL_1580707 (CHEMBL3811153)	Agonist activity at human GPR119 receptor expressed in CHOK1 cells assessed as increase in cellular cAMP levels after 30 mins by HTRF assay
50047506	5	ChEMBL_1580708 (CHEMBL3811154)	Agonist activity at human GPR119 receptor assessed as increase in cellular cAMP levels by HTRF assay
50047507	1	ChEMBL_1580723 (CHEMBL3811328)	Inhibition of AXL in human Hs578t cells by homogeneous time-resolved fluorescence assay
50047507	3	ChEMBL_1580721 (CHEMBL3811326)	Inhibition of human recombinant AXL expressed in Escherichia coli BL21 infected with T7 phage by qPCR method
50047507	5	ChEMBL_1580719 (CHEMBL3811324)	Inhibition of human full length AXL by scintillation counting method in presence of 33P-gammaATP
50047507	6	ChEMBL_1580718 (CHEMBL3811323)	Inhibition of AXL in human MDA-MB-231 cells assessed as receptor phosphorylation after 1 to 3 hrs
50047507	7	ChEMBL_1580717 (CHEMBL3811322)	Inhibition of human recombinant full length AXL using poly (Glu,Tyr) as substrate by AlphaScreen assay
50047507	8	ChEMBL_1580716 (CHEMBL3811321)	Inhibition of AXL in lapatinib-sensitive human BT474 cells
50047507	9	ChEMBL_1580715 (CHEMBL3811320)	Inhibition of AXL (unknown origin)
50047507	10	ChEMBL_1581141 (CHEMBL3810614)	Inhibition of human BMX using poly(Glu,Tyr) 4:1 as substrate after 40 mins by scintillation counting analysis in presence of [gamma-33P-ATP]
50047507	11	ChEMBL_1581140 (CHEMBL3813585)	Inhibition of human MEK1 after 40 mins in presence of MgATP
50047507	12	ChEMBL_1580746 (CHEMBL3811351)	Inhibition of human ABL using EAIYAAPFAKKK as substrate after 40 mins by scintillation counting analysis in presence of [gamma-33P-ATP]
50047507	13	ChEMBL_1580745 (CHEMBL3811350)	Inhibition of human SRC (1 to 530 residues) using GGEEEEYFELVKKKK as substrate after 40 mins by scintillation counting analysis in presence of [gamma-33P-ATP]
50047507	14	ChEMBL_1580739 (CHEMBL3811344)	Inhibition of human recombinant MET expressed in Escherichia coli BL21 infected with T7 phage by qPCR method
50047507	15	ChEMBL_1580738 (CHEMBL3811343)	Inhibition of MET (unknown origin)
50047507	16	ChEMBL_1580737 (CHEMBL3811342)	Inhibition of MET in human MDA-MB-231 cells assessed as receptor phosphorylation after 1 to 3 hrs
50047507	17	ChEMBL_1580736 (CHEMBL3811341)	Inhibition of VEGFR2 in human MDA-MB-231 cells assessed as receptor phosphorylation after 1 to 3 hrs
50047507	18	ChEMBL_1580733 (CHEMBL3811338)	Inhibition of human recombinant full length MET using poly (Glu,Tyr) as substrate by AlphaScreen assay
50047507	19	ChEMBL_1580732 (CHEMBL3811337)	Inhibition of human recombinant full length VEGFR2 using poly (Glu,Tyr) as substrate by AlphaScreen assay
50047507	20	ChEMBL_1580731 (CHEMBL3811336)	Inhibition of VEGFR2 (unknown origin)
50047507	21	ChEMBL_1581142 (CHEMBL3810615)	Inhibition of human recombinant ABL by fluorescence polarization assay
50047507	22	ChEMBL_1581143 (CHEMBL3810616)	Inhibition of human recombinant MER by fluorescence polarization assay
50047507	23	ChEMBL_1581144 (CHEMBL3810617)	Inhibition of human recombinant TYRO3 by fluorescence polarization assay
50047507	24	ChEMBL_1580730 (CHEMBL3811335)	Inhibition of human full length MET by scintillation counting method in presence of 33P-gammaATP
50047507	25	ChEMBL_1580729 (CHEMBL3811334)	Inhibition of recombinant AXL in human HeLa cells after 1 hr by ELISA
50047507	26	ChEMBL_1580728 (CHEMBL3811333)	Inhibition of human recombinant AXL by fluorescence polarization assay
50047507	27	ChEMBL_1580727 (CHEMBL3811332)	Inhibition of human AXL expressed in MEF cells by ELISA
50047507	28	ChEMBL_1580726 (CHEMBL3811331)	Inhibition of human AXL by radiometric assay
50047507	29	ChEMBL_1580725 (CHEMBL3811330)	Inhibition of AXL in human GIST cells
50047507	30	ChEMBL_1580724 (CHEMBL3811329)	Inhibition of human AXL by scintillation counting method in presence of [gamma-32P]ATP
50047508	1	ChEMBL_1581173 (CHEMBL3810646)	Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate
50047508	2	ChEMBL_1581176 (CHEMBL3810649)	Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate assessed as oxidation of L-tyrosine after 15 mins
50047508	3	ChEMBL_1581164 (CHEMBL3810637)	Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis of ATCI after 10 mins measured every 1 min for 10 times
50047509	1	ChEMBL_1581194 (CHEMBL3810816)	Inhibition of N-terminal his-tagged BRAF V600E mutant (448 to 723 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as phosphorylation of biotinylated-MEK by AlphaScreen assay
50047510	1	ChEMBL_1578525 (CHEMBL3811220)	Inhibition of human recombinant BACE1 expressed in HEK293 cells using peptide sequence EVNLAAEF as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by fluorescence assay
50047510	2	ChEMBL_1578526 (CHEMBL3811221)	Inhibition of Cathepsin D (unknown origin) by fluorescence assay
50047510	4	ChEMBL_1578519 (CHEMBL3811214)	Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis
50047511	1	ChEMBL_1579123 (CHEMBL3811651)	Competitive binding affinity to CBP (unknown origin) measured after 1 hr by BROMOscan assay
50047511	2	ChEMBL_1579124 (CHEMBL3811652)	Competitive binding affinity to BRD9 bromodomain (unknown origin) measured after 1 hr by BROMOscan assay
50047511	3	ChEMBL_1579125 (CHEMBL3811653)	Competitive binding affinity to human His-tagged BRPF1b (626 to 740 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measured after 1 hr by BROMOscan assay
50047511	4	ChEMBL_1579114 (CHEMBL3811642)	Competitive binding affinity to human His-tagged CREBBP (1081 to 1097 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measured after 1 hr by BROMOscan assay
50047511	5	ChEMBL_1579116 (CHEMBL3811644)	Competitive binding affinity to human His-tagged BRAZ2B (1858 to 1972 residues) expressed in T7 phage-infected Escherichia coli BL21(DE3) cells measured after 1 hr by BROMOscan assay
50047511	6	ChEMBL_1579118 (CHEMBL3811646)	Competitive binding affinity to His-tagged BRAZ2B (unknown origin) expressed in Escherichia coli BL21(DE3) cells by AlphaScreen assay in presence of biotinylated histone H3 peptide (1 to 21 residues) K9/14Ac
50047512	1	ChEMBL_1579149 (CHEMBL3811869)	Inhibition of 6His-tagged GLS1 (63-669 residues) (unknown origin) expressed in Escherichia coli using glutamine as substrate after 15 mins by Glutamate Oxidase/ AmplexRed coupled assay
50047512	2	ChEMBL_1579150 (CHEMBL3811870)	Inhibition of GLS1 in human PC3 cells assessed as cellular glutamate depletion levels after 6 hrs by Glutamate Oxidase/ AmplexRed coupled assay
50047513	1	ChEMBL_1579523 (CHEMBL3810721)	Binding affinity to His-tagged recombinant human CK2alpha assessed as dissociation rate
50047513	2	ChEMBL_1579515 (CHEMBL3810713)	Inhibition of Dapk3 (unknown origin) at by quantitative PCR
50047513	3	ChEMBL_1579514 (CHEMBL3810712)	Inhibition of Dapk2 (unknown origin) by quantitative PCR
50047513	4	ChEMBL_1579513 (CHEMBL3810711)	Inhibition of Dyrk4 (unknown origin) by quantitative PCR
50047513	5	ChEMBL_1579153 (CHEMBL3811873)	Inhibition of full length N-terminal 6xHis-tagged recombinant human CK2alpha expressed in fall armyworm Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 90 mins by mobility shift assay
50047513	6	ChEMBL_1579509 (CHEMBL3810707)	Inhibition of Dyrk3 (unknown origin) by quantitative PCR
50047513	7	ChEMBL_1579508 (CHEMBL3810706)	Inhibition of Dyrk2 (unknown origin) by quantitative PCR
50047513	8	ChEMBL_1579507 (CHEMBL3810705)	Inhibition of Dyrk1b (unknown origin) by quantitative PCR
50047513	9	ChEMBL_1579506 (CHEMBL3810704)	Inhibition of Dyrk1a (unknown origin) by quantitative PCR
50047513	10	ChEMBL_1579505 (CHEMBL3810703)	Inhibition of Hipk4 (unknown origin) by quantitative PCR
50047513	11	ChEMBL_1579504 (CHEMBL3810702)	Inhibition of Hipk3 (unknown origin) by quantitative PCR
50047513	12	ChEMBL_1579503 (CHEMBL3810701)	Inhibition of Hipk2 (unknown origin) by quantitative PCR
50047513	13	ChEMBL_1579502 (CHEMBL3810700)	Inhibition of Hipk1 (unknown origin) by quantitative PCR
50047513	14	ChEMBL_1579493 (CHEMBL3810691)	Binding affinity to His-tagged recombinant human CK2alpha (6 to 335 residues) after 50 to 116.7 mins by surface plasmon resonance assay
50047513	15	ChEMBL_1579492 (CHEMBL3810690)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50047514	1	ChEBML_1579541	Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay
50047514	2	ChEBML_1579540	Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay
50047514	3	ChEMBL_1579541 (CHEMBL3810887)	Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay
50047514	4	ChEMBL_1579540 (CHEMBL3810886)	Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pre-incubated for 10 mins before LTD4 addition by Fluo-4 AM dye based fluorimetric assay
50047515	1	ChEMBL_1579548 (CHEMBL3810894)	Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting method
50047515	2	ChEMBL_1579550 (CHEMBL3810896)	Agonist activity at human APJ receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment after 30 mins by BRET assay
50047515	3	ChEMBL_1579549 (CHEMBL3810895)	Agonist activity at human APJ receptor expressed in HEK-293 cells assessed as dissociation of G-alpha-i1 protein after 5 mins by BRET assay
50047515	4	ChEMBL_1579876 (CHEMBL3812951)	Induction of HA-tagged human APJ receptor internalization expressed in HEK-293 cells after 30 mins by ELISA
50047516	1	ChEMBL_1579902 (CHEMBL3813158)	Inhibition of human CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting analysis
50047516	2	ChEMBL_1579907 (CHEMBL3813163)	Inhibition of rat CNT2 expressed in African green monkey COS7 cells assessed as reduction of [14C]-inosine uptake by liquid scintillation counting analysis
50047517	1	ChEMBL_1579921 (CHEMBL3813177)	Binding affinity to human CAV (1 to 104 residues) expressed in Escherichia coli BL21-DE3 by isothermal titration calorimetric analysis
50047518	1	ChEMBL_1580304 (CHEMBL3812144)	Inhibition of His-tagged full length human recombinant wild type ABL expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	2	ChEMBL_1580793 (CHEMBL3811752)	Inhibition of full length GST-tagged human recombinant BRAF V600E mutant expressed in baculovirus using Fluorescein-MAP2K1 as substrate
50047518	3	ChEMBL_1580794 (CHEMBL3811753)	Inhibition of GST-tagged human recombinant EGFR (668 to1210 residues) expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	4	ChEMBL_1580795 (CHEMBL3811754)	Inhibition of GST-tagged full length human recombinant HCK expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	5	ChEMBL_1580796 (CHEMBL3811755)	Inhibition of GST-tagged full length human recombinant LYNA expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	6	ChEMBL_1580797 (CHEMBL3811756)	Inhibition of full length His-tagged human recombinant cSRC expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	7	ChEMBL_1580798 (CHEMBL3811757)	Inhibition of GST-tagged full length human recombinant YES expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	8	ChEMBL_1580799 (CHEMBL3811758)	Inhibition of His-tagged full length human recombinant ABL G250E mutant expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	9	ChEMBL_1580800 (CHEMBL3811759)	Inhibition of full length GST-tagged human recombinant PDGFRalpha expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	10	ChEMBL_1580801 (CHEMBL3811760)	Inhibition of His-tagged full length human recombinant ABL Y253F mutant expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	11	ChEMBL_1581195 (CHEMBL3810817)	Inhibition of GST-tagged full length human recombinant FRK expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	12	ChEMBL_1581196 (CHEMBL3810818)	Inhibition of His-tagged full length human recombinant LCK expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	13	ChEMBL_1581197 (CHEMBL3810819)	Inhibition of His-tagged full length human recombinant ABL E255K mutant expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	14	ChEMBL_1581198 (CHEMBL3810820)	Inhibition of GST-tagged human recombinant EGFR T790M mutant (668 to 1210 residues) expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	15	ChEMBL_1581199 (CHEMBL3810821)	Inhibition of His-tagged full length human recombinant FYN expressed in baculovirus using Fluorescein-Poly GT as substrate
50047518	16	ChEMBL_1581200 (CHEMBL3810822)	Inhibition of human wild type BCR-ABL expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay
50047518	17	ChEMBL_1581201 (CHEMBL3810823)	Inhibition of human BCR-ABL T315I mutant expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay
50047519	6	ChEBML_1581220	Agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay
50047519	3	ChEBML_1581224	Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay
50047519	1	ChEBML_1581224	Agonist activity at GST-tagged LXRbeta-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay
50047519	8	ChEMBL_1581221 (CHEMBL3811007)	Partial agonist activity at GST-tagged LXRalpha-LBD (unknown origin) by LanthaScreen TR-FRET liver X receptor coactivator assay
50047520	2	ChEMBL_1578569 (CHEMBL3811610)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins by LC/MS/MS analysis
50047521	1	ChEBML_1578577	Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins
50047521	2	ChEMBL_1578579 (CHEMBL3811620)	Inhibition of purified human factor 11a after 30 to 60 mins
50047521	6	ChEMBL_1578581 (CHEMBL3811622)	Inhibition of purified human trypsin after 30 to 60 mins
50047521	8	ChEMBL_1578577 (CHEMBL3811618)	Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins
50047521	5	ChEMBL_1578582 (CHEMBL3811623)	Inhibition of purified human tissue kallikrein 1 using H-D-Val-Leu-Arg-AFC as substrate
50047521	7	ChEMBL_1578580 (CHEMBL3811621)	Inhibition of purified human thrombin after 30 to 60 mins
50047521	3	ChEMBL_1578578 (CHEMBL3811619)	Inhibition of purified human factor 10a using S2765 as substrate after 30 to 60 mins
50047521	4	ChEMBL_1578583 (CHEMBL3811624)	Inhibition of human Tissue factor/factor 7a
50047522	1	ChEMBL_1578590 (CHEMBL3811631)	Inhibition of human recombinant COX2 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50047522	2	ChEMBL_1578589 (CHEMBL3811630)	Inhibition of ovine COX1 assessed as reduction in PGH2-derived PGF2alpha using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50047523	1	ChEMBL_1579180 (CHEMBL3812083)	Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization after 10 mins
50047523	2	ChEMBL_1579181 (CHEMBL3812084)	Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization after 10 mins
50047523	3	ChEMBL_1579182 (CHEMBL3812085)	Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization after 10 mins
50047524	1	ChEMBL_1579551 (CHEMBL3810897)	Binding affinity to human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells assessed as dissociation rate constant by surface plasmon resonance assay
50047524	2	ChEMBL_1579204 (CHEMBL3812107)	Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 hr by kinase-Glo luminescence assay
50047525	1	ChEMBL_1579557 (CHEMBL3810903)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counting method
50047525	2	ChEMBL_1579558 (CHEMBL3810904)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counting method
50011828	2	ChEMBL_43803 (CHEMBL656373)	Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha; values in the parentheses indicates 95% confidence interval
50011828	3	ChEMBL_43804 (CHEMBL656374)	Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha
50047525	3	ChEMBL_1579559 (CHEMBL3810905)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counting method
50047525	4	ChEMBL_1579560 (CHEMBL3810906)	Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in HEK293 cell membrane incubated for 1 hr by TopCount scintillation counting method
50047525	5	ChEMBL_1579594 (CHEMBL3811259)	Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50047525	6	ChEMBL_1579563 (CHEMBL3811073)	Agonist activity at human nociceptin receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production preincubated for 15 mins followed by forskolin addition measured for 90 mins by luciferase reporter gene assay
50047525	7	ChEMBL_1579566 (CHEMBL3811076)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-induced contraction by isometric force transducer analysis
50047525	8	ChEMBL_1579567 (CHEMBL3811077)	Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal muscle contraction
50047526	1	ChEMBL_1579955 (CHEMBL3813472)	Inhibition of Nav1.5 (unknown origin) assessed as inhibition of late sodium current by manual patch clamp method
50047526	2	ChEMBL_1579956 (CHEMBL3813473)	Inhibition of 1 Hz stimulated Nav1.5 (unknown origin) assessed as inhibition of peak sodium current by manual patch clamp method
50047526	3	ChEMBL_1579957 (CHEMBL3813474)	Inhibition of 3 Hz stimulated Nav1.5 (unknown origin) assessed as inhibition of peak sodium current by manual patch clamp method
50047526	4	ChEMBL_1579958 (CHEMBL3813475)	Inhibition of 1 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method
50047526	5	ChEMBL_1579959 (CHEMBL3813476)	Inhibition of 10 Hz stimulated Nav1.1 (unknown origin) by manual patch clamp method
50047526	6	ChEMBL_1579945 (CHEMBL3813329)	Inhibition of 0.1 Hz stimulated human Nav1.5alpha expressed in HEK293 cells assessed as inhibition of late sodium current with 3 compound additions for 7 to 8 mins at holding potential -120 mV in presence of late sodium current activator tefluthrin/ATX2 measured immediately after third compound addition by PatchXpress method
50047526	7	ChEMBL_1579960 (CHEMBL3813477)	Inhibition of human ERG
50047526	8	ChEMBL_1579961 (CHEMBL3813478)	Inhibition of 1 Hz stimulated Nav1.2 (unknown origin) by manual patch clamp method
50047526	9	ChEMBL_1579962 (CHEMBL3813479)	Inhibition of 10 Hz stimulated Nav1.2 (unknown origin) by manual patch clamp method
50047527	1	ChEBML_1581284	Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method
50047527	3	ChEMBL_1581285 (CHEMBL3811362)	Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method
50047527	2	ChEMBL_1581288 (CHEMBL3811365)	Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay
50047527	4	ChEMBL_1581284 (CHEMBL3811361)	Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method
50047528	1	ChEMBL_1581307 (CHEMBL3811384)	Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after 60 to 90 mins in presence of 1 mM ATP
50047528	10	ChEMBL_1578626 (CHEMBL3811850)	Inhibition of CYP2C9 (unknown origin)
50047528	8	ChEMBL_1578605 (CHEMBL3811829)	Inhibition of human full length recombinant His-tagged PLK1 expressed in baculovirus by Z'-LYTE assay
50047528	11	ChEMBL_1581303 (CHEMBL3811380)	Inhibition of wild type Myc-ectopic MPS1 (unknown origin) expressed in human HCT116 cells assessed as autophosphorylation at Thr33/Ser37 after 2 hrs by electrochemiluminescence assay in presence of MG132
50047528	7	ChEMBL_1578628 (CHEMBL3811852)	Inhibition of CYP2C19 (unknown origin)
50047528	3	ChEBML_1581301	Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after 60 to 90 mins
50047528	13	ChEMBL_1581302 (CHEMBL3811379)	Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins
50047528	14	ChEMBL_1581301 (CHEMBL3811378)	Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after 60 to 90 mins
50047528	5	ChEMBL_1578610 (CHEMBL3811834)	Inhibition of human full length recombinant His-tagged JNK1 expressed in baculovirus by lanthascreen assay
50047528	2	ChEBML_1581302	Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 mins
50047528	12	ChEMBL_1578630 (CHEMBL3811854)	Inhibition of CYP2D6 (unknown origin)
50047528	9	ChEMBL_1578627 (CHEMBL3811851)	Inhibition of CYP1A2 (unknown origin)
50047528	4	ChEMBL_1578611 (CHEMBL3811835)	Inhibition of human full length recombinant His-tagged JNK2 expressed in baculovirus by lanthascreen assay
50013430	3	ChEMBL_215653 (CHEMBL820263)	In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicin
50047528	6	ChEMBL_1578621 (CHEMBL3811845)	Inhibition of CYP3A4 (unknown origin)
50047529	1	ChEBML_1579212	Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins by PAGE
50047529	3	ChEBML_1579212	Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins by PAGE
50047529	2	ChEBML_1579213	Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE
50047529	4	ChEMBL_1579213 (CHEMBL3812293)	Inhibition of human recombinant TDP2 using 19-mer single stranded DNA containing 5'-phosphotyrosine as substrate after 15 mins by PAGE
50047529	5	ChEMBL_1579212 (CHEMBL3812292)	Inhibition of recombinant TDP1 (unknown origin) using single stranded 5'-[32P]-labeled DNA containing 3'-phosphotyrosine as substrate after 15 mins by PAGE
50047530	1	ChEMBL_1579231 (CHEMBL3812311)	Inhibition of N-terminal GST-tagged recombinant human PDGFRbeta (amino acids 557-end) expressed in baculovirus infected insect Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrate after 1 hr by promega ADP-glo assay
50047530	2	ChEMBL_1579229 (CHEMBL3812309)	Inhibition of His-tagged recombinant human CSF1R expressed in baculovirus expression system after 1 hr by Z-lyte assay
50047530	3	ChEMBL_1579230 (CHEMBL3812310)	Inhibition of GST-tagged human DDR1 expressed in baculovirus after 1 hr by Z-lyte assay
50047530	4	ChEMBL_1579232 (CHEMBL3812312)	Inhibition of His-tagged human recombinant cKIT expressed in baculovirus using Tyr 06 peptide as substrate after 1 hr by Z-lyte assay
50047531	1	ChEMBL_1580046 (CHEMBL3810731)	Inhibition of canine ventricular myocytes Nav 1.5 assessed as reduction in ATX-2 induced late channel current by manual single-patch clamp assay
50047531	2	ChEMBL_1579651 (CHEMBL3811490)	Inhibition of Nav 1.5 (unknown origin) assessed as reduction in late channel current
50047532	1	ChEMBL_1580421 (CHEMBL3812774)	Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as substrate by alphaLISA
50047532	2	ChEMBL_1580440 (CHEMBL3812793)	Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by Dixon plot analysis
50047533	1	ChEMBL_1580943 (CHEMBL3812611)	Inhibition of soluble epoxide hydrolase (unknown origin) using 14,15-EET as substrate incubated for 20 mins by LC-MS/MS analysis
50047534	1	ChEMBL_1580949 (CHEMBL3812617)	Inhibition of aminopeptidase B (unknown origin)
50047534	2	ChEMBL_1580948 (CHEMBL3812616)	Inhibition of sEH (unknown origin)
50047534	3	ChEMBL_1580947 (CHEMBL3812615)	Inhibition of human thrombin using pefachrom tPa as substrate after 3 mins by photometric method
50047534	4	ChEMBL_1580946 (CHEMBL3812614)	Inhibition of AchE (unknown origin)
50047535	1	ChEMBL_1580950 (CHEMBL3812618)	Positive allosteric modulation of FSHR (unknown origin) expressed in CHO cells assessed as FSH-induced cAMP accumulation incubated for 1 hr by HTRF assay
50047535	2	ChEMBL_1580951 (CHEMBL3812619)	Positive allosteric modulation of human FSHR expressed in rat granulocytes assessed as FSH-induced estradiol production after 72 hrs by radioimmunossay
50047536	1	ChEMBL_1580955 (CHEMBL3812623)	Displacement of [3H]A-804598 from rat recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells after 1 hr by radioligand binding assay
50047536	2	ChEMBL_1580954 (CHEMBL3812622)	Displacement of [3H]A-804598 from human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells after 1 hr by radioligand binding assay
50047536	3	ChEMBL_1580956 (CHEMBL3812624)	Antagonist activity against human recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ flux pre-incubated for 30 mins before BzATP addition by calcium-4 dye based FLIPR assay
50047536	4	ChEMBL_1580957 (CHEMBL3812625)	Antagonist activity against rat recombinant ATP-gated P2X7 receptor expressed in human 1321N1 cells assessed as reduction in BzATP -induced Ca2+ flux pre-incubated for 30 mins before BzATP addition by calcium-4 dye based FLIPR assay
50013657	2	ChEMBL_67037 (CHEMBL677875)	Binding affinity for human estrogen receptor alpha by displacement of [3H]estradiol
50013657	4	ChEMBL_67035 (CHEMBL677873)	Binding affinity for human estrogen receptor alpha
50013657	3	ChEMBL_67199 (CHEMBL678287)	Binding affinity for human estrogen receptor beta
50047536	5	ChEMBL_1580958 (CHEMBL3812626)	Antagonist activity against ATP-gated P2X7 receptor in LPS-stimulated human whole blood assessed as reduction in P2X7 agonist 2'(3')-O-(4-benzoylbenzoyl) adenosine 5'-triphosphate-induced IL-1beta incubated for 30 mins after 1 hr pre-treatment with LPS followed by Bz-ATP-stimulation for 1.5 hrs by ELISA
50047537	1	ChEMBL_1580959 (CHEMBL3812627)	Inhibition of KDR (unknown origin)
50047537	2	ChEMBL_1580962 (CHEMBL3812630)	Binding affinity to human ERG by radioligand binding assay
50047537	3	ChEMBL_1580960 (CHEMBL3812628)	Inhibition of Tel fused KDR (unknown origin) expressed in BaF3 cells
50047538	1	ChEBML_1580963	Inhibition of KDR (unknown origin)
50047538	3	ChEMBL_1580963 (CHEMBL3812631)	Inhibition of KDR (unknown origin)
50047538	2	ChEMBL_1580964 (CHEMBL3812632)	Inhibition of Tel-fused KDR (unknown origin) expressed in mouse Baf3 cells
50047539	1	ChEMBL_1580968 (CHEMBL3812636)	Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization assay
50047539	2	ChEMBL_1580966 (CHEMBL3812634)	Inhibition of Staphylococcus aureus DNA parE ATPase activity incubated for 30 mins by fluorescence polarization assay
50047540	1	ChEBML_1580973	Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins by Amplex red dye based L-GOx and HRP enzyme coupled assay
50047540	3	ChEBML_1581369	Inhibition of BCATc (unknown origin)
50047540	2	ChEMBL_1580974 (CHEMBL3812806)	Inhibition of BCATm in differentiated primary human adipocytes using L-Serine and L-Leucine as substrate after overnight incubation by reverse-phase HPLC method
50047540	4	ChEBML_1580973	Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins by Amplex red dye based L-GOx and HRP enzyme coupled assay
50047540	5	ChEMBL_1580973 (CHEMBL3812805)	Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins by Amplex red dye based L-GOx and HRP enzyme coupled assay
50047541	1	ChEMBL_1581405 (CHEMBL3812012)	Displacement of [3H]naloxone from human MOR expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting method
50047541	2	ChEMBL_1581402 (CHEMBL3812009)	Agonist activity at human KOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay
50047541	3	ChEMBL_1581401 (CHEMBL3812008)	Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay
50047541	4	ChEMBL_1581400 (CHEMBL3812007)	Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay
50047541	5	ChEMBL_1581398 (CHEMBL3812005)	Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins
50012950	1	ChEMBL_78735 (CHEMBL692286)	Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor
50047541	6	ChEMBL_1581396 (CHEMBL3812003)	Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins
50047541	7	ChEMBL_1581394 (CHEMBL3812001)	Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins
50047542	1	ChEMBL_1581410 (CHEMBL3812017)	Inhibition of human full-length Pim1 expressed in Escherichia coli assessed as phosphorylation of biotinylated BAD peptide at Ser-112 preincubated for 30 mins followed by substrate addition measured after 1 hr by HTRF assay
50047542	2	ChEMBL_1581411 (CHEMBL3812018)	Inhibition of human full-length Pim2 expressed in Escherichia coli assessed as phosphorylation of biotinylated BAD peptide at Ser 112 preincubated for 30 mins followed by substrate addition measured after 1 hr by HTRF assay
50047543	1	ChEMBL_1578757 (CHEMBL3812678)	Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of cefazolin preincubated for 60 min followed by addition of cefazolin by Lineweaver-Burk plot analysis
50047543	2	ChEBML_1578757	Mixed type inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells assessed as hydrolysis of cefazolin preincubated for 60 min followed by addition of cefazolin by Lineweaver-Burk plot analysis
50047543	3	ChEBML_1578752	Competitive inhibition of Bacillus cereus 569/H/9 metallo-beta-lactamase Bc2 expressed in Escherichia coli GI724 cells using nitrocefin as substrate by spectrometry method
50047543	4	ChEMBL_1578753 (CHEMBL3812674)	Inhibition of Klebsiella pneumoniae metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 min followed by addition of cefazolin as substrate by spectrometry method
50047544	1	ChEMBL_1579326 (CHEMBL3812914)	Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes after 90 mins
50047544	2	ChEMBL_1579327 (CHEMBL3812915)	Displacement of [3H]CP 55940 from human CB1 receptor after 1 hr by liquid scintillation spectrometry
50047545	1	ChEMBL_1579345 (CHEMBL3812933)	Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pBR322 plasmid after 45 mins by ethidium bromide staining based agarose gel electrophoresis
50047545	2	ChEMBL_1579330 (CHEMBL3812918)	Inhibition of Staphylococcus aureus DNA gyrase assessed as supercoiling of relaxed pNO1 plasmid after 30 mins by SybrGOLD staining based fluorescence assay
50047546	1	ChEMBL_1579349 (CHEMBL3813115)	Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by substrate addition measured after 120 mins by flow cytometry
50047546	2	ChEMBL_1579358 (CHEMBL3813124)	Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation assay
50047546	3	ChEMBL_1579718 (CHEMBL3811911)	Inhibition of ABCB1 mediated efflux in human MCF7/DX1 cells assessed as intracellular rhodamine-123 accumulation after 30 to 40 mins by flow cytometry
50047546	4	ChEMBL_1579719 (CHEMBL3811912)	Inhibition of ABCG2 (unknown origin)
50047547	1	ChEMBL_1579725 (CHEMBL3811918)	Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin after 3 mins by scintillation counting based cis-inhibition assay
50047548	1	ChEMBL_1580544 (CHEMBL3813356)	Inhibition of EGFR-TK in human A431 cell lysate assessed as reduction in EGF stimulated kinase activity after 60 mins using biotinylated peptide substrate by ELISA
50047549	1	ChEMBL_1581000 (CHEMBL3812832)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay
50047549	2	ChEMBL_1581001 (CHEMBL3813006)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay
50047549	3	ChEMBL_1580999 (CHEMBL3812831)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay
50047549	4	ChEMBL_1580998 (CHEMBL3812830)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay
50047550	1	ChEMBL_1581012 (CHEMBL3813017)	Inhibition of Staphylococcus aureus PDF using formyl-methionine-alanine-serine as substrate assessed as increase in NADH levels by microtiter ELISA
50047551	1	ChEMBL_1581027 (CHEMBL3813032)	Inhibition of recombinant human Pim1
50047552	1	ChEMBL_1579382 (CHEMBL3813148)	Inhibition of CDK4 (unknown origin)
50047552	2	ChEMBL_1579383 (CHEMBL3813279)	Inhibition of c-erbB2 (unknown origin)
50047553	1	ChEMBL_1580211 (CHEMBL3811519)	Inhibition of HDAC1 in human Jurkat cells extract after 30 mins by immunoprecipitation assay
50047553	2	ChEMBL_1580212 (CHEMBL3811520)	Inhibition of HDAC3 in human Jurkat cells extract after 30 mins by immunoprecipitation assay
50047554	1	ChEMBL_1580604 (CHEMBL3810612)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 20 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	2	ChEMBL_1580603 (CHEMBL3810611)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 10 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	3	ChEMBL_1580602 (CHEMBL3810610)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/substrate/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 5 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	4	ChEMBL_1580601 (CHEMBL3810609)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 20 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	5	ChEMBL_1580600 (CHEMBL3810608)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 10 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	6	ChEMBL_1580599 (CHEMBL3810607)	Mixed type inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 assessed as enzyme/inhibitor complex using 3-O-methylfluorescein phosphate as substrate at 5 uM incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047554	7	ChEMBL_1580591 (CHEMBL3810599)	Inhibition of human recombinant full length GST-tagged CDC25A transfected in Escherichia coli BL21-DE3 using 3-O-methylfluorescein phosphate as substrate incubated for 20 mins followed by substrate addition measured every 10 mins for 2 hrs by fluorimetric assay
50047555	1	ChEMBL_1581525 (CHEMBL3812667)	Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS
50047555	2	ChEMBL_1581522 (CHEMBL3812664)	Time-dependent inhibition of wild type Klebsiella pneumoniae 6xHis-tagged metallo-beta-lactamase NDM-1 expressed in Escherichia coli BL21 (DE3)pLysS assessed as inhibition constant for initial non-covalant complex
50047556	1	ChEMBL_1581532 (CHEMBL3812838)	Inhibition of cMET (unknown origin) using TK substrate-biotin as substrate preincubated with compound followed by substrate addition for 40 mins measured after 1 hr by HTRF assay
50047556	2	ChEMBL_1578858 (CHEMBL3813256)	Inhibition of cMET (unknown origin) using poly(Glu-Tyr) substrate incubated for 60 mins by ELISA
50047557	1	ChEMBL_1579435 (CHEMBL3813455)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis
50047558	1	ChEMBL_1579453 (CHEMBL3810522)	Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as substrate incubated for 10 mins by UV-Visible spectrophotometric analysis
50047558	2	ChEMBL_1579457 (CHEMBL3810526)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-substrate-inhibitor complex incubated for 10 mins by Lineweaver-Burk plot method
50047558	3	ChEMBL_1579456 (CHEMBL3810525)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate assessed as enzyme-inhibitor complex incubated for 10 mins by Lineweaver-Burk plot method
50047558	4	ChEMBL_1579454 (CHEMBL3810523)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins by UV-Visible spectrophotometric analysis
50047559	1	ChEMBL_1579485 (CHEMBL3810554)	Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay
50047559	2	ChEMBL_1579470 (CHEMBL3810539)	Inhibition of CYP3A4 (unknown origin)
50047559	3	ChEMBL_1579471 (CHEMBL3810540)	Inhibition of CYP1A2 (unknown origin)
50047559	4	ChEMBL_1579483 (CHEMBL3810552)	Antagonist activity at human M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay
50047559	5	ChEMBL_1579477 (CHEMBL3810546)	Positive allosteric modulation of human M3
50047559	6	ChEMBL_1579476 (CHEMBL3810545)	Positive allosteric modulation of human M2
50047559	7	ChEMBL_1579475 (CHEMBL3810544)	Positive allosteric modulation of human M5 receptor expressed in CHOK1 cells by calcium mobilization assay
50047559	8	ChEMBL_1579474 (CHEMBL3810543)	Positive allosteric modulation of human M1 receptor expressed in CHOK1 cells by calcium mobilization assay
50047559	9	ChEMBL_1579473 (CHEMBL3810542)	Inhibition of CYP2C9 (unknown origin)
50047559	10	ChEMBL_1579472 (CHEMBL3810541)	Inhibition of CYP2D6 (unknown origin)
50047559	11	ChEMBL_1579487 (CHEMBL3810685)	Positive allosteric modulation of rat M4 receptor expressed in CHO cells coexpressing Gqi5 by calcium mobilization assay
50047560	1	ChEMBL_1579821 (CHEMBL3812560)	Inhibition of CDK1/Cyclin B (unknown origin)
50014508	2	ChEMBL_96918 (CHEMBL707897)	Inhibitory concentration was evaluated for irreversible inhibition of Schistosoma mansoni Legumain
50014519	8	ChEMBL_90322 (CHEMBL699165)	Inhibition of human platelet (h-PRP) aggregation induced by 5 uM TRAP6 with PPACK
50014519	9	ChEMBL_90331 (CHEMBL872966)	Inhibition of citreated human (h-PRP) platelet aggregation induced by 5 uM TRAP6
50014519	10	ChEMBL_90327 (CHEMBL699170)	Inhibition of citreated human platelet (h-PRP) aggregation induced by 4 ug/mL collagen
50014519	11	ChEMBL_90329 (CHEMBL699172)	Inhibition of human platelet (h-PRP) aggregation induced by 4 ug/mL collagen with PPACK
50014519	12	ChEMBL_90321 (CHEMBL698535)	Inhibition of human platelet (h-PRP) aggregation induced by 20 uM ADP with PPACK
50047560	2	ChEMBL_1579822 (CHEMBL3812561)	Inhibition of CDK2/Cyclin E (unknown origin)
50047560	3	ChEMBL_1579834 (CHEMBL3812743)	Inhibition of Abl (unknown origin)
50047561	1	ChEBML_1579836	Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation analysis
50047561	2	ChEBML_1579837	Apparent inhibition of recombinant rat FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation analysis
50047561	3	ChEMBL_1579836 (CHEMBL3812745)	Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation analysis
50047561	4	ChEMBL_1579837 (CHEMBL3812746)	Apparent inhibition of recombinant rat FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation analysis
50047562	3	ChEMBL_1580242 (CHEMBL3811727)	Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinositol-4,5-bisphosphate as substrate and ATP measured after 15 mins by AlphaScreen competition assay
50047562	1	ChEBML_1580242	Inhibition of human PI3K p110alpha/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinositol-4,5-bisphosphate as substrate and ATP measured after 15 mins by AlphaScreen competition assay
50047562	2	ChEBML_1580246	Inhibition of human PI3K p110beta/p85alpha expressed in baculovirus preincubated for 20 mins followed by addition of phosphorylate phosphatidylinositol-4,5-bisphosphate as substrate and ATP measured after 15 mins by AlphaScreen competition assay
50047563	1	ChEBML_1580253	Inhibition of human Kir1.1 expressed in HEK293 cells after 30 mins by thallium flux assay
50047564	1	ChEBML_1580278	Inhibition of human HDAC3
50047564	4	ChEMBL_1580268 (CHEMBL3811934)	Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluorescent substrate measured after 1 hr by spectrophotometry
50047564	3	ChEBML_1580268	Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluorescent substrate measured after 1 hr by spectrophotometry
50047564	5	ChEMBL_1580286 (CHEMBL3811952)	Inhibition of human ERG after 4 hrs by fluorescence polarization assay
50047565	1	ChEMBL_1580630 (CHEMBL3810792)	Inhibition of 8-NBD-cAMP binding to EPAC2 (unknown origin) by microplate reader analysis
50047565	2	ChEMBL_1580633 (CHEMBL3810795)	Inhibition of recombinant C-terminal FLAG/HA-tagged EPAC1 (unknown origin) expressed in retrovirus infected human HeLaS3 cells assessed as reduction in cAMP-mediated guanine nucleotide exchange factor activity in presence of C-terminal truncated Rap1B (1 to 167 residues)-Mant-GDP by spectrofluorometric analysis
50047565	3	ChEMBL_1580632 (CHEMBL3810794)	Inhibition of recombinant C-terminal FLAG/HA-tagged EPAC2 (unknown origin) expressed in retrovirus infected human HeLaS3 cells assessed as reduction in cAMP-mediated guanine nucleotide exchange factor activity in presence of C-terminal truncated Rap1B (1 to 167 residues)-Mant-GDP by spectrofluorometric analysis
50047565	4	ChEMBL_1580631 (CHEMBL3810793)	Inhibition of EPAC2 (unknown origin) assessed as reduction in cAMP-mediated guanine nucleotide exchange factor activity in presence of C-terminal truncated Rap1B (1 to 167 residues)-BODIPY-GDP by microplate reader analysis
50047566	1	ChEMBL_1580653 (CHEMBL3810966)	Binding affinity to KOP receptor (unknown origin) at 10 uM
50047566	2	ChEMBL_1580641 (CHEMBL3810954)	Agonist activity at KOP receptor (unknown origin)
50047567	1	ChEMBL_1580685 (CHEMBL3811131)	Inhibition of human SphK1 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation counting method
50047567	2	ChEMBL_1580686 (CHEMBL3811132)	Inhibition of human SphK2 expressed in baculovirus infected in Sf9 cells using D-erythro-sphingosine as substrate and [gamma-32P]ATP by scintillation counting method
50047568	1	ChEMBL_1581084 (CHEMBL3813382)	Antagonist activity at N-terminal HA-tagged GPR4 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response element-driven transcriptional activity at pH 7.2 incubated for 6 hrs by dual luciferase reporter gene assay
50047568	2	ChEMBL_1581087 (CHEMBL3813385)	Antagonist activity at N-terminal HA-tagged TDAG8 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent cAMP response element-driven transcriptional activity at pH 7.2 incubated for 6 hrs by dual luciferase reporter gene assay
50047568	3	ChEMBL_1581088 (CHEMBL3813386)	Antagonist activity at N-terminal HA-tagged OGR1 (unknown origin) expressed in HEK293 cells assessed as inhibition of pH dependent nuclear factor of activated T-cell activity at pH 7.2 incubated for 6 hrs by dual luciferase reporter gene assay
50047569	1	ChEMBL_1581098 (CHEMBL3813396)	Inhibition of CYP3A4 (unknown origin)
50047569	2	ChEMBL_1581099 (CHEMBL3813397)	Inhibition of CYP2D6 (unknown origin)
50047569	3	ChEMBL_1581102 (CHEMBL3813400)	Inhibition of CYP2C8 (unknown origin)
50047569	4	ChEMBL_1581103 (CHEMBL3813401)	Inhibition of CYP2C9 (unknown origin)
50047570	1	ChEMBL_1581134 (CHEMBL3813579)	Inhibition of Aurora B (unknown origin)
50047570	2	ChEMBL_1581133 (CHEMBL3813578)	Inhibition of Aurora A (unknown origin)
50047570	3	ChEMBL_1581135 (CHEMBL3813580)	Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay
50047571	1	ChEMBL_1581570 (CHEMBL3813051)	Inhibition of BTK (unknown origin) assessed as reduction in phosphorylation of coumarin and fluorescein-labeled FRET peptide substrate incubated for 1 hr by Z-Lyte assay
50047571	2	ChEMBL_1581571 (CHEMBL3813052)	Irreversible inhibition of recombinant BTK (unknown origin) incubated for 1 hr by FRET assay
50047571	3	ChEMBL_1581572 (CHEMBL3813053)	Inhibition of BTK (unknown origin)
50047571	4	ChEMBL_1581574 (CHEMBL3813055)	Inhibition of recombinant BTK (unknown origin) preincubated for 1 hr followed by ATP addition by IMAP assay
50047572	1	ChEMBL_1578943 (CHEMBL3810515)	Agonist activity at alpha7 nAChR (unknown origin)
50047573	1	ChEMBL_1578946 (CHEMBL3810652)	Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting
50047573	2	ChEMBL_1578947 (CHEMBL3810653)	Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting
50015280	5	ChEMBL_310131 (CHEMBL838112)	Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells
50015281	3	ChEMBL_310472 (CHEMBL834416)	Inhibition of H-Ras transformed NIH-3T3-cell proliferation
50047574	1	ChEMBL_1578994 (CHEMBL3810850)	Inhibition of human DHODH assessed as decrease in DCIP using dihydroorotate as substrate measured every 30 seconds for 6 mins
50047575	1	ChEMBL_1578996 (CHEMBL3810852)	Positive allosteric modulation of human mGlu4 receptor assessed as increase in glutamate-induced calcium mobilization
50030159	1	ChEMBL_303639 (CHEMBL828849)	Inhibition of [3H]nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes
50030159	3	ChEMBL_303577 (CHEMBL828976)	Inhibition of [3H]-BTX binding to Nicotinic acetylcholine receptor alpha-7 of rat hippocampal membranes
50030159	4	ChEMBL_303642 (CHEMBL828852)	Inhibition of [3H]cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes
50030159	2	ChEMBL_303641 (CHEMBL828851)	Inhibition of [3H]cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes
50030159	5	ChEMBL_303679 (CHEMBL830439)	Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes
50047575	2	ChEMBL_1579015 (CHEMBL3810871)	Positive allosteric modulation of human mGlu4 receptor
50047576	1	ChEMBL_1579080 (CHEMBL3811428)	Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50047576	2	ChEMBL_1579079 (CHEMBL3811427)	Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50047576	3	ChEMBL_1579081 (CHEMBL3811429)	Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50015535	6	ChEMBL_310277 (CHEMBL833108)	Effective concentration against H-ras processing in transformed NIH3T3 cells
50015535	7	ChEMBL_304181 (CHEMBL829177)	Effective concentration against H-ras processing in NIH 3T3 cells
50047577	1	ChEMBL_1579085 (CHEMBL3811433)	Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method
50047577	2	ChEMBL_1579084 (CHEMBL3811432)	Inhibition of N-terminal His-tagged Mer kinase (588 to 855 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells measured every min by ADP Quest Assay
50047578	1	ChEMBL_1579098 (CHEMBL3811446)	Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substrate by fluorometric assay
50047578	2	ChEMBL_1579101 (CHEMBL3811449)	Inhibition of Influenza A virus H5N1 neuraminidase preincubated for 10 mins followed by addition of 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as fluorogenic substrate measured after 15 mins by fluorescence analysis
50047579	1	ChEMBL_1581631 (CHEMBL3817394)	Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli Rosetta2(2DE3) pLysS cells assesed as inhibition of protein interaction with carboxyfluorescein-labeled 26-mer Noxa peptide by fluorescence polarization assay
50047580	1	ChEMBL_1581635 (CHEMBL3817398)	Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluoromethyl)coumarin O-debenzylation pretreated 2 mins followed by NADPH addition by fluorometric method in presence of rat cytochrome P450 reductase
50047580	2	ChEMBL_1581632 (CHEMBL3817395)	Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociation constant by spectrophotometric method
50047581	1	ChEMBL_1581916 (CHEMBL3816769)	Antagonist activity at human FXR expressed in HEK293 cells assessed as inhibition of GW4064-induced transactivation after 24 hrs by luciferase reporter gene assay
50047581	2	ChEMBL_1581914 (CHEMBL3816677)	Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced receptor transactivation after 24 hrs by luciferase reporter gene assay
50047582	1	ChEBML_1581926	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate after 40 mins by scintillation counting method in presence of [gamma-33P-ATP]
50047582	2	ChEBML_1581928	Inhibition of inactivated PLK1 in human HeLa cells using casein as substrate by immunoprecipitation assay
50047582	3	ChEBML_1581927	Inhibition of HIV1 protease
50047582	4	ChEBML_1581929	Displacement of [3H]-17beta-estradiol from human recombinant ERalpha expressed in rabbit reticulocytes
50047582	5	ChEBML_1581930	Displacement of [3H]-17beta-estradiol from human recombinant ERbeta expressed in rabbit reticulocytes
50047582	10	ChEBML_1582258	Activation of human liver cathepsin L using Z-FR-AMC as substrate measured for 120 mins by fluorescence assay
50047582	11	ChEBML_1582255	Inhibition of VEGFR1 (unknown origin)
50047582	9	ChEBML_1582257	Inhibition of human recombinant MMP13 (85 to 255 residues) expressed in Escherichia coli using 5-FAM/QXLTM as substrate by fluorometric assay
50047582	12	ChEBML_1582256	Inhibition of VEGFR2 (unknown origin)
50047582	7	ChEBML_1581924	Inhibition of human recombinant CDK4/Cyclin D2 expressed in baculovirus infected insect Sf9 cells using G1 peptide as substrate after 45 mins by Top Count method in presence of [33P]-ATP
50047582	8	ChEBML_1582259	Inhibition of human recombinant PDE3B expressed in insect Sf9 cells assessed as residual cAMP level after 30 mins by HTRF assay
50047583	1	ChEBML_1582264	Inhibition of mouse Kv1.3 expressed in L929 cells at -80 mV holding potential by whole cell patch-clamp method
50047583	2	ChEBML_1582262	Inhibition of CDK4 (unknown origin)
50047583	3	ChEBML_1582261	Inhibition of CDK2 (unknown origin)
50047583	5	ChEMBL_1582260 (CHEMBL3817692)	Inhibition of CDK1 (unknown origin)
50047584	1	ChEMBL_1582295 (CHEMBL3815922)	Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by RP-HPLC method
50047584	2	ChEMBL_1582298 (CHEMBL3815925)	Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 10 mins by HPLC method
50030161	1	ChEMBL_303091 (CHEMBL828763)	Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain membrane
50030161	2	ChEMBL_303010 (CHEMBL830249)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membrane
50047585	1	ChEMBL_1582604 (CHEMBL3816945)	Inhibition of human recombinant SphK1 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-32P]ATP
50047585	2	ChEMBL_1582605 (CHEMBL3816946)	Inhibition of human recombinant SphK2 using sphingosine as substrate incubated for 20 mins by scintillation counting analysis in presence of [gamma-32P]ATP
50047585	3	ChEMBL_1582607 (CHEMBL3816948)	Inhibition of human recombinant SphK2 after 2 hrs by HPLC assay
50047585	4	ChEMBL_1582608 (CHEMBL3816949)	Inhibition of SphK2 (unknown origin)
50047585	5	ChEMBL_1582610 (CHEMBL3816951)	Inhibition of SphK1 in mouse erythrocytes using sphingosine as substrate by luminescence assay
50047585	6	ChEMBL_1582612 (CHEMBL3817020)	Inhibition of human SphK1 using sphingosine as substrate incubated for 50 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50047585	7	ChEMBL_1582613 (CHEMBL3817021)	Inhibition of human SphK2 using sphingosine as substrate incubated for 50 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50047586	1	ChEMBL_1582617 (CHEMBL3817025)	Agonist activity at human LXRalpha by Gal4 assay
50047586	2	ChEMBL_1582616 (CHEMBL3817024)	Agonist activity at human LXRbeta by Gal4 assay
50047586	3	ChEMBL_1582618 (CHEMBL3817026)	Binding affinity to human LXRalpha
50047586	4	ChEMBL_1582619 (CHEMBL3817027)	Binding to human LXRbeta
50047586	5	ChEMBL_1582620 (CHEMBL3817028)	Agonist activity at human LXRalpha coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay
50047586	6	ChEMBL_1582622 (CHEMBL3817030)	Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting
50047586	7	ChEMBL_1582621 (CHEMBL3817029)	Agonist activity at human LXRbeta coexpressed in African green monkey CV1 cells by Gal4 responsive reporter gene assay
50047586	8	ChEMBL_1582630 (CHEMBL3817038)	Agonist activity at LXR in human THP1 cells assessed as upregulation of ABCA1 gene expression after 24 hrs by RT-PCR analysis
50047586	9	ChEMBL_1582631 (CHEMBL3817039)	Agonist activity at LXR in human HepG2 cells assessed as upregulation of SREBP1C gene expression after 24 hrs by RT-PCR analysis
50047586	10	ChEMBL_1582623 (CHEMBL3817031)	Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting
50047586	11	ChEMBL_1582624 (CHEMBL3817032)	Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gene assay
50047586	12	ChEMBL_1582648 (CHEMBL3817089)	Inhibition of Mineralocorticoid receptor (unknown origin)
50047586	13	ChEMBL_1582649 (CHEMBL3817090)	Inhibition of RXR (unknown origin)
50047586	14	ChEMBL_1582650 (CHEMBL3817091)	Inhibition of RORalpha receptor (unknown origin)
50047586	15	ChEMBL_1582651 (CHEMBL3817092)	Inhibition of PXR (unknown origin)
50047586	16	ChEMBL_1582653 (CHEMBL3817094)	Inhibition of recombinant CYP2C9 (unknown origin)
50047586	17	ChEMBL_1582654 (CHEMBL3817095)	Inhibition of recombinant CYP2D6 (unknown origin)
50047586	18	ChEMBL_1582655 (CHEMBL3817096)	Inhibition of recombinant CYP3A4 (unknown origin)
50047586	19	ChEMBL_1582656 (CHEMBL3817097)	Inhibition of CYP2C9 in human liver microsomes
50047586	20	ChEMBL_1582658 (CHEMBL3817099)	Inhibition of CYP3A4 in human liver microsomes
50047586	21	ChEMBL_1581655 (CHEMBL3817515)	Binding affinity to human LXRalpha by radioligand displacement assay
50047586	22	ChEMBL_1581656 (CHEMBL3817516)	Binding to human LXRbeta by radioligand displacement assay
50047586	23	ChEMBL_1582625 (CHEMBL3817033)	Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gene assay
50047587	1	ChEMBL_1581658 (CHEMBL3817518)	Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21(DE3) using diapophytoene as substrate assessed as pigment formation after overnight incubation by spectrophotometric method
50047587	2	ChEMBL_1581932 (CHEMBL3816785)	Inhibition of human ERG expressed in CHO cells by Qpatch-clamp method
50047588	1	ChEMBL_1581971 (CHEMBL3816907)	Competitive binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 assessed as Kd of AZD7545 at 50 uM by isothermal titration calorimetric method (Rvb = 290.6 nM)
50047588	2	ChEMBL_1581969 (CHEMBL3816905)	Binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 by isothermal titration calorimetric method
50047588	3	ChEMBL_1581970 (CHEMBL3816906)	Competitive binding affinity to recombinant N-terminal 6xHis-SUMO-tagged human PDK1 (29 to 436 residues) expressed in Escherichia coli BL-21 assessed as Kd of ADP at 50 uM by isothermal titration calorimetric method (Rvb = 4.27 uM)
50047589	1	ChEMBL_1582330 (CHEMBL3816073)	Binding affinity to GST-tagged 125I-labelled 14-3-3beta (unknown origin) expressed in Escherichia coli by solid phase assay
50047589	2	ChEMBL_1582331 (CHEMBL3816074)	Binding affinity to GST-tagged 125I-labelled full length human 14-3-3tau expressed in Escherichia coli by solid phase assay
50047589	3	ChEMBL_1582332 (CHEMBL3816075)	Binding affinity to GST-tagged 125I-labelled 14-3-3eta (unknown origin) expressed in Escherichia coli by solid phase assay
50047589	4	ChEMBL_1582333 (CHEMBL3816076)	Inhibition of human Plk1 PBD (326 to 603 residues) using 5-carboxyfluorescein-GPMQSpTPLNG-OH as substrate incubated for 1 hr prior to addition of substrate by fluorescence polarization assay
50047589	5	ChEMBL_1582334 (CHEMBL3816077)	Inhibition of human Plk2 PBD (355 to 685 residues) using 5-carboxyfluorescein-GPMQTSpTPKNG-OH as substrate incubated for 1 hr prior to addition of substrate by fluorescence polarization assay
50047589	6	ChEMBL_1582335 (CHEMBL3816078)	Inhibition of human Plk3 PBD (335 to 646 residues) using 5-carboxyfluorescein-GPLATSpTPKNG-OH as substrate incubated for 1 hr prior to addition of substrate by fluorescence polarization assay
50047590	1	ChEMBL_1581699 (CHEMBL3816032)	Inhibition of human PI3Kgamma using PIP2 as substrate by HTRF assay in presence of biotin-PIP3
50047590	2	ChEMBL_1581698 (CHEMBL3817681)	Inhibition of human full length recombinant His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system after 60 mins by LanthaScreen Eu binding assay in presence of kinase tracer 314
50047591	1	ChEMBL_1581705 (CHEMBL3816038)	Inhibition of full length recombinant human GST or His-tagged c-Met using poly (Glu, Tyr) as substrate by luciferase coupled chemiluminescence assay
50047591	2	ChEMBL_1581706 (CHEMBL3816039)	Inhibition of full length recombinant human GST or His-tagged VEGFR2 using poly (Glu, Tyr) as substrate by AlphaScreen assay
50047591	3	ChEMBL_1581707 (CHEMBL3816040)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by luciferase coupled chemiluminescence assay
50047591	4	ChEMBL_1581708 (CHEMBL3816041)	Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by luciferase coupled chemiluminescence assay
50047591	5	ChEMBL_1581709 (CHEMBL3816042)	Inhibition of VEGFR2 (unknown origin)
50047591	6	ChEMBL_1581703 (CHEMBL3816036)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047591	7	ChEMBL_1581704 (CHEMBL3816037)	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50047592	1	ChEBML_1581711	Agonist activity at mouse P2Y10 receptor expressed in HEK293A cells after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay
50047592	3	ChEMBL_1581710 (CHEMBL3816043)	Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay
50047592	2	ChEBML_1581710	Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay
50047592	4	ChEMBL_1581711 (CHEMBL3816044)	Agonist activity at mouse P2Y10 receptor expressed in HEK293A cells after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay
50015701	3	ChEMBL_304932 (CHEMBL826962)	Inhibitory concentration in guinea-pig ileum assay
50047593	1	ChEMBL_1581726 (CHEMBL3816059)	Inhibition of recombinant Malt1 (unknown origin) at 1 to 100 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyphenyl)-5H-4l4,5l4-dipyrrolo[1,2-c:20,10-f][1,3,2]diazaborinin-10-yl)butyl)-1H-1,2,3-triazol-1-yl)hexanoyl)-L-valyl-L-arginyl)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)pyrrolidine-2-carboxamide addition and incubated for 1 hr by SDS-PAGE based competitive activity-based protein profiling assay
50047593	2	ChEMBL_1581725 (CHEMBL3816058)	Inhibition of recombinant Malt1 (unknown origin) at 10 to 1000 uM preincubated for 1 hr followed by (S)-1-((6-(4-(4-(5,5-Difluoro-3,7-bis(4-methoxyphenyl)-5H-4l4,5l4-dipyrrolo[1,2-c:20,10-f][1,3,2]diazaborinin-10-yl)butyl)-1H-1,2,3-triazol-1-yl)hexanoyl)-L-valyl-L-arginyl)-N-((S)-1-fluoro-6-guanidino-2-oxohexan-3-yl)pyrrolidine-2-carboxamide addition and incubated for 1 hr by SDS-PAGE based competitive activity-based protein profiling assay
50047593	3	ChEMBL_1581729 (CHEMBL3816160)	Inhibition of GST-MALT1 (325 to 760 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence analysis
50047593	4	ChEMBL_1581728 (CHEMBL3816159)	Inhibition of recombinant full length GST-MALT1 (unknown origin) expressed in Escherichia coli using Ac-LRSR-AMC as substrate by fluorescence analysis
50047594	1	ChEMBL_1581736 (CHEMBL3816167)	Inhibition of human recombinant mTOR (1360 to 2549 residues) expressed in insect cells assessed as inhibition of GFP-labeled 4-EBP1 phosphorylation at Thr-37/46 residues incubated for 30 mins by FRET assay
50047594	2	ChEMBL_1581735 (CHEMBL3816166)	Inhibition of recombinant PI3Kalpha (unknown origin) using dioctanoylglycerol-PIP2 as substrate incubated for 30 mins in presence of TAMRA-PIP3 by fluorescence polarization assay
50047595	1	ChEMBL_1583389 (CHEMBL3816121)	Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay
50047596	1	ChEMBL_1583393 (CHEMBL3816125)	Binding affinity to His-tagged Dvl-1 PDZ domain (247 to 337 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50047596	2	ChEMBL_1583394 (CHEMBL3816126)	Binding affinity to His-tagged Dvl-1 PDZ domain (247 to 337 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by fluorescence spectroscopy
50047596	3	ChEMBL_1583395 (CHEMBL3816127)	Binding affinity to TMR-linked 15N-labeled mouse Dvl-1 domain ( 247 to 341 residues) by fluorescence spectroscopy
50047596	4	ChEMBL_1583396 (CHEMBL3815406)	Binding affinity to TMR-labeled Dvl-1 PDZ domain (unknown origin) expressed in Escherichia coli by fluorescence spectroscopy
50047596	5	ChEMBL_1583392 (CHEMBL3816124)	Binding affinity to His-tagged Dvl-1 PDZ domain (247 to 337 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate by SPR analysis
50047597	1	ChEMBL_1581780 (CHEMBL3816306)	Inhibition of PHKGI (unknown origin) by kinomescan analysis
50047597	2	ChEMBL_1581781 (CHEMBL3816307)	Inhibition of CLK4 (unknown origin) by kinomescan analysis
50047597	3	ChEMBL_1581782 (CHEMBL3816308)	Inhibition of ROCK2 (unknown origin) by kinomescan analysis
50047597	4	ChEMBL_1583399 (CHEMBL3815409)	Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP
50047597	5	ChEMBL_1583400 (CHEMBL3815410)	Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo assay
50047597	6	ChEMBL_1583401 (CHEMBL3815411)	Inhibition of FLT3 ITD mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer glo assay
50047597	7	ChEMBL_1583402 (CHEMBL3815412)	Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability a after 3 days by cell titer glo assay
50047597	8	ChEMBL_1583403 (CHEMBL3815413)	Inhibition of FLT3 ITD mutant in human MOLM14 cells assessed as reduction in cell viability after 3 days by cell titer glo assay
50047597	9	ChEMBL_1583398 (CHEMBL3815408)	Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP
50047598	1	ChEMBL_1581797 (CHEMBL3816323)	Inhibition of PXR (unknown origin) assessed as induction of CYP3A4 gene expression after 48 hrs by luciferase reporter gene assay
50047598	2	ChEMBL_1581796 (CHEMBL3816322)	Displacement of [35S]MK499 from human ERG
50047598	3	ChEMBL_1581790 (CHEMBL3816316)	Inhibition of DPP9 (unknown origin) preincubated for 20 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay
50047598	4	ChEMBL_1581789 (CHEMBL3816315)	Inhibition of recombinant DPP8 (unknown origin) preincubated for 20 mins followed by Ala-Pro-AFC addition measured for 40 mins by continuous fluorescence assay
50047598	5	ChEMBL_1581788 (CHEMBL3816314)	Inhibition of QPP (unknown origin) preincubated for 30 mins followed by Nle-Pro-AMC addition measured for 50 mins by continuous fluorescence assay
50047598	6	ChEMBL_1581787 (CHEMBL3816313)	Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay
50047598	7	ChEMBL_1581786 (CHEMBL3816312)	Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay
50047599	1	ChEMBL_1582047 (CHEMBL3817085)	Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis
50047599	2	ChEMBL_1582046 (CHEMBL3817084)	Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis
50047600	1	ChEMBL_1582062 (CHEMBL3817139)	Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA
50047600	2	ChEMBL_1582061 (CHEMBL3817138)	Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA
50047600	3	ChEMBL_1582060 (CHEMBL3817137)	Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA
50047600	4	ChEMBL_1582057 (CHEMBL3817134)	Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF assay
50047601	1	ChEMBL_1582082 (CHEMBL3817159)	Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay
50047601	2	ChEMBL_1582080 (CHEMBL3817157)	Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay
50047601	3	ChEMBL_1582088 (CHEMBL3817196)	Displacement of biotinylated ligand from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay
50047601	4	ChEMBL_1582087 (CHEMBL3817164)	Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) incubated for 10 mins by TR-FRET assay
50047601	5	ChEMBL_1582086 (CHEMBL3817163)	Binding affinity to human CBP at 17 uM by isothermal titration calorimetry
50047601	6	ChEMBL_1582085 (CHEMBL3817162)	Displacement of biotinylated ligand from recombinant His-tagged EP300 (unknown origin) incubated for 10 mins by TR-FRET assay
50047601	7	ChEMBL_1582084 (CHEMBL3817161)	Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter gene based BRET assay
50047602	1	ChEMBL_1582438 (CHEMBL3816484)	Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method
50047603	1	ChEMBL_1582467 (CHEMBL3816588)	Inhibition of BACE1 (unknown origin) using peptide substrate by time-course measurement-based fluorescence analysis
50047603	2	ChEMBL_1582465 (CHEMBL3816586)	Inhibition of human recombinant cathepsin E using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 120 mins by fluorescence analysis
50047603	3	ChEMBL_1582464 (CHEMBL3816585)	Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 120 mins by fluorescence analysis
50047604	1	ChEMBL_1583664 (CHEMBL3815751)	Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins
50047604	2	ChEMBL_1583670 (CHEMBL3815757)	Inhibition of PI3K alpha (unknown origin)
50047604	3	ChEMBL_1583671 (CHEMBL3815758)	Inhibition of PI3K beta (unknown origin)
50047604	4	ChEMBL_1583672 (CHEMBL3815759)	Inhibition of PI3K gamma (unknown origin)
50047604	5	ChEMBL_1583673 (CHEMBL3815760)	Inhibition of PI3K delta (unknown origin)
50047604	6	ChEMBL_1583663 (CHEMBL3815750)	Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method
50047604	7	ChEMBL_1583677 (CHEMBL3815764)	Inhibition of human recombinant PDK1 assessed as PtdIns-3,4-P2-mediated AKT2 activation using biotin-ARRRDGGGAQPFRPRAATF as substrate after 2 hrs by scintillation proximity assay in presence of [33P] ATP
50047604	8	ChEMBL_1583678 (CHEMBL3815765)	Inhibition of human PDK1
50047605	1	ChEMBL_1581839 (CHEMBL3816458)	Agonist activity at farnesoid x receptor(unknown origin)
50047606	1	ChEMBL_1581840 (CHEMBL3816459)	Inhibition of MCT1 in rat brain endothelial 4 cells assessed as L-[14C]-Lactate Uptake after 15 mins by scintillation spectrometric analysis
50047607	1	ChEMBL_1583232 (CHEMBL3816885)	Inhibition of full-length His6-tagged BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in baculovirus system by B-Raf accelerated MEK ATPase assay
50047607	2	ChEMBL_1583234 (CHEMBL3816952)	Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSR2 cells incubated for 30 mins by time resolved fluorescence assay
50047607	3	ChEMBL_1583231 (CHEMBL3816884)	Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from full length human TNNI3K expressed in baculovirus system incubated for 60 mins by fluorescence polarization assay
50047608	1	ChEMBL_1583239 (CHEMBL3816957)	Inhibition of His-tagged full length human recombinant SPHK2 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingosine as substrate by ADP-quest assay
50047608	2	ChEMBL_1583238 (CHEMBL3816956)	Inhibition of His-tagged full length human recombinant SPHK1 expressed in baculovirus infected fall armyworm Sf9 cell expression system using sphingosine as substrate by ADP-quest assay
50047608	3	ChEMBL_1583242 (CHEMBL3816960)	Inhibition of GST-tagged full length human recombinant SPHK1 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measured after 1 hr by ADP-quest assay
50047608	4	ChEMBL_1583243 (CHEMBL3816961)	Inhibition of GST-tagged full length human recombinant SPHK2 expressed in baculovirus using sphingosine as substrate preincubated for 10 mins measured after 1 hr by ADP-quest assay
50047608	5	ChEMBL_1583241 (CHEMBL3816959)	Inhibition of SPHK2 (unknown origin)
50015678	3	ChEMBL_306179 (CHEMBL830973)	Inhibition of human recombinant p110 alpha Phosphatidylinositol 3-kinase
50047608	6	ChEMBL_1583240 (CHEMBL3816958)	Inhibition of SPHK1 (unknown origin)
50047609	1	ChEMBL_1583489 (CHEMBL3815560)	Inhibition of human full length (His)6-tagged Pim-1 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]ATP-based kinase assay
50047609	2	ChEMBL_1583490 (CHEMBL3815561)	Inhibition of human full length GST-tagged Pim-2 expressed in Escherichia coli using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]ATP-based kinase assay
50047609	3	ChEMBL_1583491 (CHEMBL3815562)	Inhibition of human full length (His)6-tagged Pim-3 expressed in insect Sf21 cells using RSRHSSYPAGT as substrate measured for 30 mins by [gamma-33P]ATP-based kinase assay
50047610	1	ChEMBL_1583724 (CHEMBL3815811)	Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation proximity assay
50047610	2	ChEMBL_1583725 (CHEMBL3815812)	Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL
50047610	3	ChEMBL_1583746 (CHEMBL3815833)	Inhibition of recombinant human ERG expressed in HEK293 cells assessed as inhibition of peak tail current by patch clamp assay
50047610	4	ChEMBL_1583749 (CHEMBL3815836)	Inhibition of recombinant human ERG flux expressed in HEK293 cells by patch clamp assay
50047611	1	ChEMBL_1583874 (CHEMBL3815306)	Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agonist addition measured for 90 sec by fluo-8 dye-based FLIPR assay
50047611	2	ChEMBL_1583886 (CHEMBL3815318)	Inhibition of CCR9-mediated chemotaxis in human MOLT4 cells preincubated for 10 mins followed by TECK addition in presence of 0.1% BSA measured after 2 hrs
50047612	1	ChEMBL_1582189 (CHEMBL3817415)	Inhibition of TYK2 (unknown origin) using tyrosine 3 peptide as substrate by z'-lyte assay
50047612	2	ChEMBL_1582188 (CHEMBL3817414)	Inhibition of JAK3 (unknown origin) using tyrosine 6 peptide as substrate by z'-lyte assay
50047612	3	ChEMBL_1582187 (CHEMBL3817413)	Inhibition of JAK2 (unknown origin) using tyrosine 6 peptide as substrate by z'-lyte assay
50047612	4	ChEMBL_1582186 (CHEMBL3817412)	Inhibition of JAK1 (unknown origin) using tyrosine 6 peptide as substrate by z'-lyte assay
50047612	5	ChEMBL_1582197 (CHEMBL3817423)	Inhibition of FLAG-tagged human TYK2 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay
50047612	6	ChEMBL_1582196 (CHEMBL3817422)	Inhibition of FLAG-tagged human JAK3 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay
50047612	7	ChEMBL_1582195 (CHEMBL3817421)	Inhibition of FLAG-tagged human JAK2 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay
50047612	8	ChEMBL_1582194 (CHEMBL3817420)	Inhibition of FLAG-tagged mouse JAK1 expressed in insect Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate by HTRF assay
50047613	1	ChEMBL_1582203 (CHEMBL3817429)	Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay
50047614	1	ChEMBL_1582550 (CHEMBL3816812)	Displacement of [3H]ketanserin from human 5-HT2A receptor measured after 90 mins by microbeta scintillation counting method
50047614	2	ChEMBL_1582551 (CHEMBL3816813)	Displacement of [3H]LSD from human 5-HT2B receptor measured after 90 mins by microbeta scintillation counting method
50047614	3	ChEMBL_1582552 (CHEMBL3816814)	Displacement of [3H]mesulergine from human 5-HT2C receptor measured after 90 mins by microbeta scintillation counting method
50047614	4	ChEMBL_1582556 (CHEMBL3816818)	Antagonist activity at human 5-HT2B receptor by PDSP assay
50047615	1	ChEMBL_1582558 (CHEMBL3816820)	Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubated for 30 mins followed by quinidine addition to apical side measured after 60 mins
50047616	1	ChEMBL_1582565 (CHEMBL3816827)	Inhibition of human recombinant TDP1 using 5'-[32P]-labeled N14Y as substrate after 15 mins by PAGE method
50047616	2	ChEMBL_1582564 (CHEMBL3816826)	Inhibition of zebra fish recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method
50047616	3	ChEMBL_1582563 (CHEMBL3816825)	Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method
50047616	4	ChEMBL_1582562 (CHEMBL3816824)	Inhibition of human recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method
50047616	5	ChEMBL_1582561 (CHEMBL3816823)	Inhibition of human TDP2
50047617	1	ChEMBL_1583529 (CHEMBL3815616)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADPH measured after 2 mins by spectrofluorometric method
50047617	2	ChEMBL_1583531 (CHEMBL3815618)	Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADPH measured after 2 mins by spectrofluorometric method
50047618	1	ChEMBL_1583562 (CHEMBL3815649)	Non-competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using p-Nph-5'-TMP as substrate after 60 mins by Dixon plot analysis
50047618	2	ChEMBL_1583535 (CHEMBL3815622)	Competitive inhibition of human NPP1 transfected in HEK293 cells using p-Nph-5'-TMP as substrate preincubated for 3 mins followed by substrate addition measured after 15 mins by Cornish-Bowden plot analysis
50047618	3	ChEMBL_1583536 (CHEMBL3815623)	Competitive inhibition of human NPP1 expressed in African green monkey COS7 cells using ATP as substrate after 20 mins by Michaelis-Menten plot analysis
50047618	4	ChEMBL_1583537 (CHEMBL3815624)	Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition and subsequent incubation for 30 mins by capillary electrophoresis
50047619	1	ChEMBL_1583766 (CHEMBL3815853)	Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method
50047619	2	ChEMBL_1583767 (CHEMBL3815854)	Agonist activity at recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane incubated for 30 mins by [35S]GTPgammaS binding assay
50047619	3	ChEMBL_1583798 (CHEMBL3815885)	Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane by gamma counting method
50047619	4	ChEMBL_1583797 (CHEMBL3815884)	Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method
50047620	1	ChEBML_1583800	Inhibition of NiCl2 stabilized Escherichia coli NCIM-2931 peptide deformylase using N-formyl-Met-Ala as substrate incubated for 30 mins by spectrophotometric method
50047620	3	ChEMBL_1583800 (CHEMBL3815887)	Inhibition of NiCl2 stabilized Escherichia coli NCIM-2931 peptide deformylase using N-formyl-Met-Ala as substrate incubated for 30 mins by spectrophotometric method
50047620	2	ChEMBL_1583803 (CHEMBL3815890)	Inhibition of Escherichia coli peptide deformylase
50047621	1	ChEMBL_1583938 (CHEMBL3815370)	Agonist activity at GAL4 fused LXRalpha (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay
50047621	2	ChEMBL_1583942 (CHEMBL3815374)	Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay
50047622	1	ChEMBL_1583973 (CHEMBL3815405)	Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay
50047622	2	ChEMBL_1583974 (CHEMBL3815440)	Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay
50047622	3	ChEMBL_1583975 (CHEMBL3815441)	Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay
50047622	4	ChEMBL_1583976 (CHEMBL3815442)	Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay
50047622	5	ChEMBL_1583979 (CHEMBL3815445)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay
50047622	6	ChEMBL_1583980 (CHEMBL3815446)	Inhibition of EGFR Del19/T790M double mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay
50047623	1	ChEMBL_1584020 (CHEMBL3815521)	Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay
50030163	1	ChEMBL_303530 (CHEMBL839644)	In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes
50047624	1	ChEMBL_1583304 (CHEMBL3816267)	Irreversible inhibition of thioredoxin reductase (unknown origin)
50047625	1	ChEBML_1583333	Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
50047625	2	ChEMBL_1583335 (CHEMBL3816398)	Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation counting method
50047625	3	ChEMBL_1583333 (CHEMBL3816396)	Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 dye based FLIPR assay
50047626	1	ChEMBL_1583336 (CHEMBL3816399)	Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method
50047627	1	ChEMBL_1583579 (CHEMBL3815666)	Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047627	2	ChEMBL_1583577 (CHEMBL3815664)	Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047627	3	ChEMBL_1583576 (CHEMBL3815663)	Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047627	4	ChEMBL_1583578 (CHEMBL3815665)	Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay
50047628	1	ChEMBL_1583590 (CHEMBL3815677)	Inhibition of human PDE11A4
50047628	2	ChEMBL_1583589 (CHEMBL3815676)	Inhibition of human PDE9A2
50047628	3	ChEMBL_1583588 (CHEMBL3815675)	Inhibition of human PDE8A1
50047628	4	ChEMBL_1583587 (CHEMBL3815674)	Inhibition of human PDE7B
50047628	5	ChEMBL_1583586 (CHEMBL3815673)	Inhibition of human PDE6AB
50047628	6	ChEMBL_1583585 (CHEMBL3815672)	Inhibition of human PDE5A1
50047628	7	ChEMBL_1583584 (CHEMBL3815671)	Inhibition of human PDE4D2
50047628	8	ChEMBL_1583583 (CHEMBL3815670)	Inhibition of human PDE3A
50047628	9	ChEMBL_1583582 (CHEMBL3815669)	Inhibition of human PDE2A3
50047628	10	ChEMBL_1583581 (CHEMBL3815668)	Inhibition of human PDE1A
50047628	11	ChEMBL_1583580 (CHEMBL3815667)	Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50047629	1	ChEMBL_1583602 (CHEMBL3815689)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate assessed as formation of p-nitrophenol incubated for 30 mins by spectrophotometric analysis
50047630	1	ChEMBL_1583614 (CHEMBL3815701)	Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay
50047630	2	ChEMBL_1583613 (CHEMBL3815700)	Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay
50047630	3	ChEMBL_1583615 (CHEMBL3815702)	Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay
50047630	4	ChEMBL_1583616 (CHEMBL3815703)	Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay
50047631	1	ChEMBL_1583833 (CHEMBL3815265)	Inhibition of human small intestine microsomal maltase using maltose as substrate incubated for 30 mins by glucose-oxidase method
50030164	2	ChEMBL_321572 (CHEMBL881787)	Inhibitory concentration against chemokine receptor US28 expressed in COS-7 cells using [125I]-CCL5
50047631	2	ChEMBL_1583831 (CHEMBL3815263)	Inhibition of rat small intestinal sucrase using sucrose as substrate incubated for 30 mins by glucose-oxidase method
50047631	3	ChEMBL_1583832 (CHEMBL3815264)	Inhibition of rat small intestinal isomaltase using isomaltose as substrate incubated for 30 mins by glucose-oxidase method
50047632	1	ChEMBL_1583841 (CHEMBL3815273)	Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellman's microplate assay
50047632	2	ChEMBL_1583842 (CHEMBL3815274)	Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by Ellman's microplate assay
50047632	3	ChEMBL_1583843 (CHEMBL3815275)	Mixed type inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Lineweaver-Burk double reciprocal plot analysis
50047632	4	ChEMBL_1583844 (CHEMBL3815276)	Mixed type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by Lineweaver-Burk double reciprocal plot analysis
50047633	1	ChEMBL_1583845 (CHEMBL3815277)	Inhibition of recombinant human HSL expressed in Sf9 insect cells using PNPB as substrate measured after 5 mins by spectrophotometric method
50047634	1	ChEMBL_1583857 (CHEMBL3815289)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA
50047634	2	ChEMBL_1583860 (CHEMBL3815292)	Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA
50047635	1	ChEMBL_1583992 (CHEMBL3815458)	Inhibition of PI3Kalpha (unknown origin) using PI substrate incubated for 60 mins by kinase-glo luminescence assay
50047635	2	ChEMBL_1583872 (CHEMBL3815304)	Inhibition of mTOR (unknown origin) using ULight4E-BP1 peptide as substrate incubated for 1 hr by TR-FRET assay
50047636	1	ChEMBL_1584864 (CHEMBL3822206)	Inhibition of MCT1 in human Raji cells assessed as inhibition of cell proliferation after 96 hrs by MTT assay
50047637	1	ChEMBL_1584230 (CHEMBL3821837)	Inhibition of mPGES-1 (unknown origin) assessed as reduction in conversion of PGH2 to PGE2 by EIA method
50047637	2	ChEMBL_1584215 (CHEMBL3821684)	Binding affinity to wild-type His6-tagged human 15-LOX expressed in Escherichia coli Rosetta DE3 by SPR assay
50047638	1	ChEMBL_1584373 (CHEMBL3819794)	Binding affinity to HIV1 protease
50047639	1	ChEMBL_1584400 (CHEMBL3819943)	Activation of TREK2 (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents
50047639	2	ChEMBL_1584396 (CHEMBL3819817)	Activation of TREK1 (unknown origin) expressed in HEK293 cells assessed as increase in current density relative to control
50047639	3	ChEMBL_1584395 (CHEMBL3819816)	Activation of TREK1 (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents
50047639	4	ChEMBL_1584393 (CHEMBL3819814)	Activation of human TREK1 expressed in CHO cells assessed as increase in channel currents at +50 mV relative to control
50047639	5	ChEMBL_1584382 (CHEMBL3819803)	Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control
50047639	6	ChEMBL_1584401 (CHEMBL3819944)	Activation of TRAAK (unknown origin) expressed in Xenopus oocytes assessed as increase in channel currents
50047639	7	ChEMBL_1584404 (CHEMBL3819947)	Inhibition of of human TREK1 expressed in HEK293 cells assessed as reversible current depression
50047639	8	ChEMBL_1584406 (CHEMBL3819949)	Inhibition of of rat TREK1 expressed in CHO cells assessed as reversible current depression
50047639	9	ChEMBL_1584408 (CHEMBL3819951)	Inhibition of of human TREK1 expressed in tsA201 cells assessed as reduction in channel currents
50047639	10	ChEMBL_1584409 (CHEMBL3819952)	Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents
50047639	11	ChEMBL_1584410 (CHEMBL3819953)	Inhibition of of TREK1 (unknown origin) expressed in whole COS7 cells assessed as reduction in channel currents in presence of 10 uM arachidonic acid
50047639	12	ChEMBL_1584411 (CHEMBL3819954)	Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents
50047639	13	ChEMBL_1584412 (CHEMBL3819955)	Activation of bovine TREK1 expressed in AZT cells assessed as reduction in channel currents
50047639	14	ChEMBL_1584413 (CHEMBL3819956)	Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currents
50047639	15	ChEMBL_1584414 (CHEMBL3819957)	Inhibition of of human TREK1 expressed in oocytes assessed as reversible current depression
50047639	16	ChEMBL_1584417 (CHEMBL3819960)	Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currents
50047639	17	ChEMBL_1584418 (CHEMBL3819961)	Inhibition of of TREK2 (unknown origin) expressed in oocytes assessed as reduction in channel currents
50047639	18	ChEMBL_1584419 (CHEMBL3819962)	Inhibition of of TREK2 (unknown origin) expressed in HEK293 cells assessed as reduction in channel currents
50047640	1	ChEMBL_1584421 (CHEMBL3819964)	Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition
50047640	2	ChEMBL_1584428 (CHEMBL3819971)	Inhibition of POP in Han/Wistar rat brain using Suc-Gly-Pro-AMC substrate incubated for 60 mins
50047640	3	ChEMBL_1584429 (CHEMBL3819972)	Inhibition of poricne POP in cell lysates incubated for 60 mins using Z-Gly-Pro-AMC as a substrate by fluorescence assay
50047640	4	ChEMBL_1584430 (CHEMBL3819973)	Inhibition of POP (unknown origin) in living cells
50047640	5	ChEMBL_1584427 (CHEMBL3819970)	Inhibition of human POP using Z-Gly-Pro-7-AMC substrate
50047640	6	ChEMBL_1584426 (CHEMBL3819969)	Inhibition of POP in bovine serum using Z-Gly-Pro-NH-Mec fluorimetric substrate
50047640	7	ChEMBL_1584425 (CHEMBL3819968)	Inhibition of poricne brain POP in expressed in Escherichia coli TOP10 competent cells pre-incubated for 2 hrs before Z-Gly-Pro-AMC substrate addition and monitored every 1 min for 30 mins
50047640	8	ChEMBL_1584420 (CHEMBL3819963)	Inhibition of human POP by tight binding based Morrison equation analysis
50047641	1	ChEMBL_1584558 (CHEMBL3820549)	Competitive inhibition of human placental microsomal aromatase using androgen as substrate
50047641	2	ChEMBL_1584557 (CHEMBL3820548)	Reversible inhibition of aromatase (unknown origin)
50047641	3	ChEMBL_1584556 (CHEMBL3820547)	Inhibition of human placental microsomal aromatase using testosterone as substrate assessed as formation of estradiol after 10 mins
50047641	4	ChEMBL_1584555 (CHEMBL3820546)	Inhibition of aromatase in human JEG3 cells using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release after 1 hr by scintillation spectrometry
50047641	5	ChEMBL_1584554 (CHEMBL3820545)	Inhibition of human aromatase using testosterone as substrate incubated for 1 hr by HTRF assay
50047641	6	ChEMBL_1584549 (CHEMBL3820540)	Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release after 5 mins by beta counting method
50047641	7	ChEMBL_1584431 (CHEMBL3819974)	Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release preincubated for 5 mins followed by protein addition measured after 20 mins by beta counting method
50047641	8	ChEMBL_1584553 (CHEMBL3820544)	Inhibition of human placental microsomal aromatase using [1beta-3H] androstenedione as substrate assessed as tritiated H2O release after 15 mins by liquid scintillation counting method
50047641	9	ChEMBL_1584552 (CHEMBL3820543)	Inhibition of aromatase (unknown origin) transfected in human MCF7 cells
50047641	10	ChEMBL_1584551 (CHEMBL3820542)	Inhibition of particulate fractions of human breast cancer derived aromatase
50047641	11	ChEMBL_1584550 (CHEMBL3820541)	Inhibition of human aromatase transfected in human MCF7 cells
50047642	1	ChEMBL_1584561 (CHEMBL3820552)	Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR method
50047642	2	ChEMBL_1584562 (CHEMBL3820553)	Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation constant by SPR method
50047642	3	ChEMBL_1584563 (CHEMBL3820554)	Binding affinity to bovine carbonic anhydrase-2 assessed as dissociation constant by SPR method
50047643	1	ChEMBL_1584566 (CHEMBL3820557)	Modulation of human androgen receptor expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50047644	1	ChEMBL_1584574 (CHEMBL3820565)	Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescent kinase assay
50047644	2	ChEMBL_1584573 (CHEMBL3820564)	Inhibition of MEK1 in mouse C26 cells assessed as inhibition of ERK1/2 phosphorylation incubated for 1 hr by Western blotting
50047645	1	ChEMBL_1584743 (CHEMBL3821694)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS analysis
50047645	2	ChEMBL_1584744 (CHEMBL3821695)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 20 mins by LC-MS analysis
50047645	3	ChEMBL_1584739 (CHEMBL3821541)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 40 mins by LC-MS analysis
50047645	4	ChEMBL_1584740 (CHEMBL3821691)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS analysis
50047645	5	ChEMBL_1584592 (CHEMBL3820761)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 4 mins by LC-MS analysis
50047645	6	ChEMBL_1584799 (CHEMBL3821882)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 5 mins by LC-MS analysis
50047646	1	ChEMBL_1584905 (CHEMBL3819825)	Inhibition of PDE3A (unknown origin)
50047646	2	ChEMBL_1584904 (CHEMBL3819824)	Inhibition of BSEP (unknown origin)
50047646	3	ChEMBL_1584903 (CHEMBL3819823)	Inhibition of OATP1B1 (unknown origin)
50047646	4	ChEMBL_1584829 (CHEMBL3822052)	Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of TXNRD1 mRNA expression incubated for 6 hrs by RT-PCR method
50047646	5	ChEMBL_1584828 (CHEMBL3822051)	Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of HO-1 mRNA expression incubated for 6 hrs by RT-PCR method
50047646	6	ChEMBL_1584827 (CHEMBL3822050)	Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of GCLM mRNA expression incubated for 6 hrs by RT-PCR method
50047646	7	ChEMBL_1584826 (CHEMBL3822049)	Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of NQO1 mRNA expression incubated for 6 hrs by RT-PCR method
50047646	8	ChEMBL_1584822 (CHEMBL3822045)	Inhibition of KEAP1/NRF2 interaction in human BEAS2B cells assessed as induction of NQO1 specific activity incubated for 48 hrs measured on day 4 post dosing by MTT reduction assay
50047646	9	ChEMBL_1584808 (CHEMBL3822031)	Binding affinity to human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells by isothermal titration calorimetry
50047646	10	ChEMBL_1584807 (CHEMBL3822030)	Displacement of 5'-TAMRA-NRF2 peptide from human recombinant N-terminal His6 and Avi-tagged KEAP1 (321 to 609 residues) expressed in baculovirus infected sf9 cells after 1 hr by fluorescence polarization assay
50047647	1	ChEMBL_1584956 (CHEMBL3819980)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli
50047648	1	ChEMBL_1584959 (CHEMBL3819983)	Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) using H3K4me2 substrate assessed as reduction in H2O2 production by fluorescence assay
50047648	2	ChEMBL_1584962 (CHEMBL3819986)	Inhibition of AChE (unknown origin)
50047648	3	ChEMBL_1584963 (CHEMBL3819987)	Inhibition of BACE1 (unknown origin)
50047648	4	ChEMBL_1584964 (CHEMBL3819988)	Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay
50047648	5	ChEMBL_1584966 (CHEMBL3819990)	Inhibition of human recombinant COX1 expressed in Sf9 cell microsomes assessed as reduction in conversion of arachidonic acid to PGE2 incubated for 5 mins by HTRF assay
50047649	1	ChEMBL_1585015 (CHEMBL3820141)	Agonist activity at TLR4 in C57BL/6J mouse macrophages assessed as stimulation of TNFalpha release after 4 hrs by ELISA
50047650	1	ChEMBL_1585034 (CHEMBL3820275)	Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno assay
50047650	2	ChEMBL_1585040 (CHEMBL3820281)	Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method
50047651	1	ChEMBL_1585069 (CHEMBL3820414)	Inhibition of human recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 mins in presence of tetrahydrobiopterin by hemoglobin capture assay
50047651	2	ChEMBL_1585067 (CHEMBL3820412)	Inhibition of human recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 mins in presence of tetrahydrobiopterin by hemoglobin capture assay
50047651	3	ChEMBL_1585062 (CHEMBL3820407)	Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 mins in presence of tetrahydrobiopterin by hemoglobin capture assay
50047651	4	ChEMBL_1585064 (CHEMBL3820409)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 mins in presence of tetrahydrobiopterin by hemoglobin capture assay
50047651	5	ChEMBL_1585063 (CHEMBL3820408)	Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 mins by hemoglobin capture assay
50047651	6	ChEMBL_1585144 (CHEMBL3820792)	Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay
50047652	1	ChEMBL_1585148 (CHEMBL3820796)	Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy
50047652	2	ChEMBL_1585153 (CHEMBL3820801)	Binding affinity to human [U-15N]CXCL12 L36C/A65C dimer mutant expressed in Escherichia coli by 2D 1H-15N SOFAST HMQC NMR spectroscopy
50047652	3	ChEMBL_1585155 (CHEMBL3820803)	Binding affinity to human [U-15N]CXCL12 L36C/A65C dimer mutant expressed in Escherichia coli assessed as induction of chemical shift perturbations at sY12 binding site by 2D 1H-15N SOFAST HMQC NMR spectroscopy
50047653	1	ChEMBL_1585157 (CHEMBL3820805)	Inhibition of recombinant rat GluN1a/GluN2B co-expressed in HEK293 cells assessed as suppression of glutamate-induced current by patch-clamp method
50047653	2	ChEMBL_1585158 (CHEMBL3820806)	Inhibition of recombinant rat GluN1a/GluN2C co-expressed in HEK293 cells assessed as suppression of glutamate-induced current by patch-clamp method
50047653	3	ChEMBL_1585156 (CHEMBL3820804)	Inhibition of recombinant rat GluN1a/GluN2A co-expressed in HEK293 cells assessed as suppression of glutamate-induced current by patch-clamp method
50047654	1	ChEMBL_1585169 (CHEMBL3820977)	Agonist activity at human C-terminal eYFP-tagged FFA1 receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment incubated for 5 mins by BRET assay
50047654	2	ChEMBL_1585168 (CHEMBL3820976)	Displacement of 3-(2-Fluoro-4-((2'-methyl-4'-(2-(2-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)ethoxy)ethoxy)-[1,1'-biphenyl]-3-yl)-methoxy)phenyl)propanoic acid from N-terminal NLUC-tagged FFA1 receptor (unknown origin) expressed in human Flp-In T-REX-293 cell membrane coexpressing mGluR5 incubated for 1 hr by equilibrium BRET assay
50047654	3	ChEMBL_1585167 (CHEMBL3820975)	Binding affinity to N-terminal NLUC-tagged FFA1 receptor (unknown origin) expressed in human Flp-In T-REX-293 cell membrane coexpressing mGluR5 preincubated for 5 mins followed by TUG-905 addition measured after 15 mins by kinetic BRET assay
50047654	4	ChEMBL_1585164 (CHEMBL3820972)	Binding affinity to N-terminal NLUC-tagged FFA1 receptor (unknown origin) expressed in human Flp-In T-REX-293 cell membrane coexpressing mGluR5 incubated for 1 hr by equilibrium BRET assay
50047654	5	ChEMBL_1585163 (CHEMBL3820971)	Agonist activity at eYFP-tagged FFA1 receptor (unknown origin) expressed in human Flp-In T-REX-293 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization assay
50047654	6	ChEMBL_1585172 (CHEMBL3820980)	Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization assay
50047655	1	ChEMBL_1585175 (CHEMBL3820983)	Inhibition of human recombinant GCP2 expressed in Schneider 2 cells preincubated for 15 mins using [3H]-NAAG/NAAG as substrate measured after 20 mins by liquid scintillation counting
50047655	2	ChEMBL_1585257 (CHEMBL3821388)	Inhibition of recombinant human GCP2 using [3H]-NAAG as substrate
50047656	1	ChEMBL_1585258 (CHEMBL3821389)	Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate assay in presence of SAM
50047657	1	ChEMBL_1585279 (CHEMBL3821542)	Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ICW assay
50047657	2	ChEMBL_1585280 (CHEMBL3821543)	Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay
50047657	9	ChEMBL_1585295 (CHEMBL3821558)	Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKKGQSTSRH-amide as substrate and varying 3HSAM level after 30 mins by scintillation proximity assay
50047657	3	ChEMBL_1585278 (CHEMBL3821409)	Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by scintillation proximity assay
50047657	4	ChEBML_1585280	Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay
50047658	1	ChEMBL_1584189 (CHEMBL3821507)	Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay
50047658	2	ChEMBL_1584188 (CHEMBL3821506)	Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay
50047658	3	ChEMBL_1584187 (CHEMBL3821505)	Inhibition of BRD4(1) (unknown origin)
50047658	4	ChEMBL_1584186 (CHEMBL3821504)	Inhibition of HDAC (unknown origin)
50047659	1	ChEMBL_1584262 (CHEMBL3822006)	Inhibition of porcine brain tubulin polymerization measured every 60 secs for 90 mins by DAPI staining-based fluorescence assay
50047660	1	ChEMBL_1584466 (CHEMBL3820113)	Displacement of [3H](+)-Pentazocine from sigma 1 receptor in human RPMI8226 cell membranes
50047660	2	ChEMBL_1584462 (CHEMBL3820109)	Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis
50047661	1	ChEMBL_1584606 (CHEMBL3820775)	Inhibition of oseltamivir-resistant Influenza A virus A/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	2	ChEMBL_1584609 (CHEMBL3820937)	Inhibition of Influenza A virus A/WSN/1933(H1N1) recombinant neuraminidase H275Y mutant transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	3	ChEMBL_1584611 (CHEMBL3820939)	Inhibition of Influenza A virus A/Brisbane/10/2007(H3N2) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	4	ChEMBL_1584612 (CHEMBL3820940)	Inhibition of Influenza A virus A/Brisbane/10/2007(H3N2) recombinant neuraminidase E119A mutant transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	5	ChEMBL_1584613 (CHEMBL3820941)	Inhibition of Influenza A virus A/Brisbane/10/2007(H3N2) recombinant neuraminidase R292K mutant transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	6	ChEMBL_1584614 (CHEMBL3820942)	Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	7	ChEMBL_1584615 (CHEMBL3820943)	Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant neuraminidase H275Y mutant transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047661	8	ChEMBL_1584616 (CHEMBL3820944)	Inhibition of Influenza A virus A/Shanghai/01/2014(H7N9) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay
50047662	1	ChEBML_1584620	Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	2	ChEBML_1584629	Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047657	8	ChEMBL_1585283 (CHEMBL3821546)	Antagonist activity at PAR1 (unknown origin)
50047657	6	ChEMBL_1585282 (CHEMBL3821545)	Inhibition of SMYD2 (unknown origin) expressed in human U2OS cells assessed as reduction in p53 methylation by Western blot analysis
50047657	10	ChEMBL_1585277 (CHEMBL3821408)	Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate after 30 mins in presence 3H-SAM of by scintillation proximity assay
50047657	5	ChEMBL_1585287 (CHEMBL3821550)	Binding affinity to SMYD2 (unknown origin) by isothermal colorimetric analysis
50047657	7	ChEMBL_1585294 (CHEMBL3821557)	Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKKGQSTSRH-amide substrate after 30 mins in presence of fixed 3H-SAM level by scintillation proximity assay
50047663	1	ChEBML_1585632	Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay
50047663	2	ChEBML_1585631	Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay
50047663	3	ChEMBL_1585632 (CHEMBL3820451)	Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay
50047663	4	ChEMBL_1585631 (CHEMBL3820450)	Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay
50017684	7	ChEMBL_341800 (CHEMBL865002)	Induction of calcium influx in HEK293 cells expressing human GLUK5 by FLIPR assay
50047664	1	ChEMBL_1585639 (CHEMBL3820617)	Inhibition of HIV-1 RT RNA-dependent DNA polymerase activity expressed in Escherichia coli JM109 using [3H]TTP/ poly(rA)-oligo(dT)16 as substrate incubated for 20 mins by liquid scintillation spectrometric analysis
50047665	1	ChEMBL_1585714 (CHEMBL3821011)	Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	2	ChEMBL_1585715 (CHEMBL3821012)	Inhibition of Influenza A virus (A/duck/Tsukuba/20/2007(H8N4)) neuraminidase N4 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	3	ChEMBL_1585716 (CHEMBL3821013)	Inhibition of Influenza A virus A/duck/Chiba/13/06(H12N5) neuraminidase N5 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	4	ChEMBL_1585717 (CHEMBL3821014)	Inhibition of Influenza A virus (A/duck/Shiga/8/2004(H4N6)) neuraminidase N6 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	5	ChEMBL_1585718 (CHEMBL3821015)	Inhibition of Influenza A virus (A/duck/Tsukuba/700/2007(H7N7)) neuraminidase N7 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	6	ChEMBL_1585719 (CHEMBL3821016)	Inhibition of Influenza A virus (A/duck/Tsukuba/28/2006(H3N8)) neuraminidase N8 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	7	ChEMBL_1585720 (CHEMBL3821017)	Inhibition of Influenza A virus A/duck/Tsukuba/441/05(H11N9) neuraminidase N9 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	8	ChEMBL_1585721 (CHEMBL3821018)	Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	9	ChEMBL_1585722 (CHEMBL3821019)	Inhibition of Influenza A virus (A/Narita/1/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	10	ChEMBL_1585723 (CHEMBL3821020)	Inhibition of Influenza A virus A/Yamaguchi/20/06(H1N1) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	11	ChEMBL_1585724 (CHEMBL3821021)	Inhibition of Influenza A virus A/Kitakyushu/10/06(H1N1) neuraminidase N1 H274Y mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	12	ChEMBL_1585725 (CHEMBL3821022)	Inhibition of Influenza A virus (A/Aichi/75/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	13	ChEMBL_1585726 (CHEMBL3821023)	Inhibition of Influenza A virus (A/Aichi/102/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	14	ChEMBL_1585708 (CHEMBL3821005)	Inhibition of human Neu1 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis
50047665	15	ChEMBL_1585707 (CHEMBL3821004)	Inhibition of human Neu2 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis
50047665	16	ChEMBL_1585706 (CHEMBL3820839)	Inhibition of human Neu3 expressed in HEK293T cells using GM3 as substrate incubated for 30 mins by HPLC analysis
50047665	17	ChEMBL_1585709 (CHEMBL3821006)	Inhibition of human Neu4 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis
50047665	18	ChEMBL_1585710 (CHEMBL3821007)	Inhibition of human Neu4 expressed in HEK293T cells using GM3 as substrate incubated for 30 mins by HPLC analysis
50047665	19	ChEMBL_1585711 (CHEMBL3821008)	Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	20	ChEMBL_1585713 (CHEMBL3821010)	Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047665	21	ChEMBL_1585712 (CHEMBL3821009)	Inhibition of Influenza A virus (A/mallard/Hokkaido/24/2009(H5N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorescence analysis
50047666	1	ChEMBL_1585817 (CHEMBL3821614)	Inhibition of CYP1A2 (unknown origin)
50047666	2	ChEMBL_1585818 (CHEMBL3821615)	Inhibition of CYP2D6 (unknown origin)
50047666	3	ChEMBL_1585799 (CHEMBL3821596)	Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after overnight incubation
50047666	4	ChEMBL_1585800 (CHEMBL3821597)	Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based plate reader method
50047666	5	ChEMBL_1585819 (CHEMBL3821616)	Inhibition of CYP2C9 (unknown origin)
50047666	6	ChEMBL_1585820 (CHEMBL3821617)	Inhibition of CYP2C19 (unknown origin)
50047666	7	ChEMBL_1585821 (CHEMBL3821618)	Inhibition of CYP3A4 (unknown origin)
50047666	8	ChEMBL_1585823 (CHEMBL3821620)	Binding affinity to human ERG
50047667	1	ChEMBL_1585904 (CHEMBL3822103)	Binding affinity to human SMARCA2 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry
50047667	2	ChEMBL_1585834 (CHEMBL3821766)	Binding affinity to human PB1 isoform 5 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry
50047667	3	ChEMBL_1585833 (CHEMBL3821765)	Binding affinity to human PB1 isoform 2 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration Calorimetry
50047667	4	ChEMBL_1585835 (CHEMBL3821767)	Binding affinity to human SMARCA4 expressed in BL21 (DE3)-R3-BirA cells by isothermal titration calorimetry
50047668	1	ChEMBL_1584152 (CHEMBL3821344)	Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation counting method
50047668	2	ChEMBL_1584153 (CHEMBL3821345)	Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor W246A 6.48 mutant expressed in HEK293 cell membrane by microbeta scintillation counting method
50047669	1	ChEMBL_1584164 (CHEMBL3821482)	Binding affinity to human recombinant FGF2 treated for 4 mins measured after 10 mins by surface plasmon resonance spectroscopic analysis
50047669	2	ChEMBL_1584167 (CHEMBL3821485)	Inhibition of human recombinant FGF2 assessed as reduction in HSPG/FGF2/FGDR interaction by measuring FGF2 mediated A475-CHO-flg-1A-luc cell to CHO-K1 cell adhesion incubated for 2 hrs by luciferase assay
50047662	3	ChEBML_1584620	Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	4	ChEBML_1584629	Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	5	ChEBML_1584620	Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	6	ChEBML_1584629	Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	7	ChEMBL_1584629 (CHEMBL3820957)	Inhibition of human recombinant PAK2 assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047662	8	ChEMBL_1584620 (CHEMBL3820948)	Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay
50047670	1	ChEMBL_1584538 (CHEMBL3820393)	Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay
50047670	2	ChEMBL_1584539 (CHEMBL3820394)	Inhibition of recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by biotinylated peptide addition and subsequent incubation for 30 mins by AlphaScreen assay
50047671	1	ChEMBL_1584540 (CHEMBL3820395)	Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay
50047671	2	ChEMBL_1584542 (CHEMBL3820397)	Inhibition of Lp-PLA2 in human whole plasma using 2-thio-PAF as substrate preincubated for 15 mins followed by substrate addition measured after 3 mins by CPM-based fluorescence assay
50047671	3	ChEMBL_1584543 (CHEMBL3820398)	Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assay
50047671	4	ChEMBL_1586600 (CHEMBL3821821)	Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluorescence assay
50047672	1	ChEMBL_1586602 (CHEMBL3821823)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	2	ChEMBL_1586603 (CHEMBL3821824)	Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	3	ChEMBL_1586604 (CHEMBL3821825)	Inhibition of human recombinant carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	4	ChEMBL_1586605 (CHEMBL3821826)	Inhibition of human recombinant carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	5	ChEMBL_1586606 (CHEMBL3821827)	Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	6	ChEMBL_1586607 (CHEMBL3821828)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	7	ChEMBL_1586608 (CHEMBL3821963)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	8	ChEMBL_1586609 (CHEMBL3821964)	Inhibition of human recombinant carbonic anhydrase 13 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	9	ChEMBL_1586610 (CHEMBL3821965)	Inhibition of human recombinant carbonic anhydrase 14 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047672	10	ChEMBL_1586601 (CHEMBL3821822)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50047673	1	ChEMBL_1586618 (CHEMBL3821973)	Non-competitive inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50047673	2	ChEMBL_1586622 (CHEMBL3821977)	Inhibition of mouse BACE-1 preincubated for 10 mins followed by fluorescent peptide substrate addition measured for 30 mins by fluorescence plate reader method
50047673	3	ChEMBL_1586613 (CHEMBL3821968)	Inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman method
50047673	4	ChEMBL_1586614 (CHEMBL3821969)	Inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Ellman method
50047673	5	ChEMBL_1586615 (CHEMBL3821970)	Mixed inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50047673	6	ChEMBL_1586616 (CHEMBL3821971)	Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50047673	7	ChEMBL_1586617 (CHEMBL3821972)	Mixed inhibition of horse serum BuChE using butyrylthiocoline iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50047674	1	ChEMBL_1586646 (CHEMBL3822136)	Inhibition of Helicobacter pylori shikimate kinase using shikimic acid substrate by measuring oxidation of NADH to NAD by pyruvate kinase and lactate dehydrogenase coupled enzyme assay based Dixon plot analysis
50047675	1	ChEMBL_1586651 (CHEMBL3822141)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's microplate assay
50047675	2	ChEMBL_1585948 (CHEMBL3822265)	Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Ellman's microplate assay
50047675	3	ChEMBL_1585951 (CHEMBL3822268)	Mixed inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50047675	4	ChEMBL_1585952 (CHEMBL3822269)	Mixed inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50047676	1	ChEBML_1585992	Inhibition of c-Met (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	2	ChEBML_1586003	Inhibition of ABL (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	3	ChEBML_1586004	Inhibition of AKT1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	4	ChEBML_1586005	Inhibition of ALK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	5	ChEBML_1586006	Inhibition of ARG (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	6	ChEBML_1586007	Inhibition of Aurora A (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	7	ChEBML_1586008	Inhibition of AXL (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	8	ChEBML_1586009	Inhibition of BRK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	9	ChEBML_1586010	Inhibition of BTK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	10	ChEBML_1586011	Inhibition of CDK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	11	ChEBML_1586012	Inhibition of c-Kit (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	12	ChEBML_1586013	Inhibition of ECK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	13	ChEBML_1586014	Inhibition of EGFR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	14	ChEBML_1586015	Inhibition of EGFR L858R mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	15	ChEBML_1586016	Inhibition of EGFR T790M mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	16	ChEBML_1586017	Inhibition of EGFR T790M/L858R mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	17	ChEBML_1586018	Inhibition of EPHA1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	18	ChEBML_1586019	Inhibition of EPHB1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	19	ChEBML_1586020	Inhibition of EPHB2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	20	ChEBML_1586021	Inhibition of ERK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	21	ChEBML_1586022	Inhibition of FER (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	22	ChEBML_1586023	Inhibition of FES (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	23	ChEBML_1586024	Inhibition of FLT1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	24	ChEBML_1586025	Inhibition of FLT3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	25	ChEBML_1586026	Inhibition of FLT4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	26	ChEBML_1586027	Inhibition of FGFR1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	27	ChEBML_1586028	Inhibition of FGFR2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	28	ChEBML_1586029	Inhibition of FGFR3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	29	ChEBML_1586030	Inhibition of FGFR4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	30	ChEBML_1586031	Inhibition of FYN (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	31	ChEBML_1586032	Inhibition of GSK3beta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	32	ChEBML_1586033	Inhibition of HER2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	33	ChEBML_1586034	Inhibition of HER4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	34	ChEBML_1586035	Inhibition of IGF-1R (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	35	ChEBML_1586036	Inhibition of INSR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	36	ChEBML_1586037	Inhibition of JAK1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50018404	1	ChEMBL_424952 (CHEMBL911358)	Inhibition of yeast glyoxalase1
50047676	37	ChEBML_1586038	Inhibition of JAK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	38	ChEBML_1586039	Inhibition of JAK3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	39	ChEBML_1586040	Inhibition of KDR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	40	ChEBML_1586041	Inhibition of LCK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	41	ChEBML_1586042	Inhibition of LTK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	42	ChEBML_1586043	Inhibition of LYNA (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	43	ChEBML_1586045	Inhibition of MUSK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	44	ChEBML_1586046	Inhibition of p38alpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	45	ChEBML_1586047	Inhibition of PDGFRalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	46	ChEBML_1586048	Inhibition of PDGFRbeta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	47	ChEBML_1586049	Inhibition of PKCalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	48	ChEBML_1586050	Inhibition of PKCzeta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	49	ChEBML_1586051	Inhibition of PKN1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50018874	3	ChEMBL_427758 (CHEMBL917590)	Inhibition of recombinant CatA using [14C]GS-7340 substrate
50047676	50	ChEBML_1586052	Inhibition of PKN2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	51	ChEBML_1586053	Inhibition of RET (unknown origin) incubated for 1 hr by spectrophotometric analysis
50019811	1	ChEMBL_429274 (CHEMBL915381)	Activity at human alpha-1-beta-GlyR expressed in HEK293 cells by FMP assay
50019811	2	ChEMBL_429275 (CHEMBL915382)	Activity at human alpha-2GlyR expressed in HEK293 cells by FMP assay
50019811	3	ChEMBL_429273 (CHEMBL915380)	Activity at human alpha-1GlyR expressed in HEK293 cells by FMP assay
50047676	52	ChEBML_1586054	Inhibition of RON (unknown origin) incubated for 1 hr by spectrophotometric analysis
50019811	4	ChEMBL_429276 (CHEMBL915383)	Activity at human alpha-1GlyR expressed in HEK293 cells assessed as inhibition of 300 uM glycine-induced current by whole-cell patch clamp experiment
50047676	53	ChEBML_1586055	Inhibition of ROS (unknown origin) incubated for 1 hr by spectrophotometric analysis
50019811	5	ChEMBL_429277 (CHEMBL915384)	Activity at human alpha-1GlyR expressed in HEK293 cells assessed as inhibition of 30 uM glycine-induced current by whole-cell patch clamp experiment
50047676	54	ChEBML_1586056	Inhibition of SRC (unknown origin) incubated for 1 hr by spectrophotometric analysis
50019811	6	ChEMBL_429278 (CHEMBL915385)	Activity at human alpha1GlyR expressed in HEK293 cells assessed as inhibition of 3000 uM glycine-induced current by whole-cell patch clamp experiment
50047676	55	ChEBML_1586057	Inhibition of SYK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	56	ChEBML_1586058	Inhibition of TIE2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	57	ChEBML_1586059	Inhibition of TRKA (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	58	ChEBML_1586060	Inhibition of TYK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	59	ChEBML_1586061	Inhibition of YES (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	60	ChEBML_1586082	Inhibition of PKACalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50015565	4	ChEMBL_430103 (CHEMBL919581)	Inhibition of Escherichia coli SHV1
50018615	2	ChEMBL_432256 (CHEMBL914034)	Displacement of [3H]WIN-35428 from DAT in rhesus monkey caudate-putamen
50047676	61	ChEMBL_1586058 (CHEMBL3820675)	Inhibition of TIE2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	62	ChEMBL_1586059 (CHEMBL3820676)	Inhibition of TRKA (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	63	ChEMBL_1586052 (CHEMBL3820669)	Inhibition of PKN2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	64	ChEMBL_1586053 (CHEMBL3820670)	Inhibition of RET (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	65	ChEMBL_1586037 (CHEMBL3820654)	Inhibition of JAK1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	66	ChEMBL_1586038 (CHEMBL3820655)	Inhibition of JAK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	67	ChEMBL_1586032 (CHEMBL3820496)	Inhibition of GSK3beta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	68	ChEMBL_1586033 (CHEMBL3820497)	Inhibition of HER2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	69	ChEMBL_1586034 (CHEMBL3820498)	Inhibition of HER4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	70	ChEMBL_1586035 (CHEMBL3820499)	Inhibition of IGF-1R (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	71	ChEMBL_1586036 (CHEMBL3820500)	Inhibition of INSR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	72	ChEMBL_1586056 (CHEMBL3820673)	Inhibition of SRC (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	73	ChEMBL_1586039 (CHEMBL3820656)	Inhibition of JAK3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	74	ChEMBL_1586055 (CHEMBL3820672)	Inhibition of ROS (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	75	ChEMBL_1586057 (CHEMBL3820674)	Inhibition of SYK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50019969	2	ChEMBL_434268 (CHEMBL918428)	Inhibition of HePTP
50019969	5	ChEMBL_434271 (CHEMBL918431)	Inhibition of CD45
50019969	4	ChEMBL_434270 (CHEMBL918430)	Inhibition of TCPTP
50019969	3	ChEMBL_434269 (CHEMBL918429)	Inhibition of PTP1B
50019969	1	ChEMBL_434272 (CHEMBL918432)	Inhibition of VHR
50047676	76	ChEMBL_1586054 (CHEMBL3820671)	Inhibition of RON (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	77	ChEMBL_1586050 (CHEMBL3820667)	Inhibition of PKCzeta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	78	ChEMBL_1586051 (CHEMBL3820668)	Inhibition of PKN1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	79	ChEMBL_1586020 (CHEMBL3820484)	Inhibition of EPHB2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	80	ChEMBL_1586031 (CHEMBL3820495)	Inhibition of FYN (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	81	ChEMBL_1586015 (CHEMBL3820479)	Inhibition of EGFR L858R mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	82	ChEMBL_1586024 (CHEMBL3820488)	Inhibition of FLT1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	83	ChEMBL_1586013 (CHEMBL3820477)	Inhibition of ECK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	84	ChEMBL_1586017 (CHEMBL3820481)	Inhibition of EGFR T790M/L858R mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	85	ChEMBL_1586022 (CHEMBL3820486)	Inhibition of FER (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	86	ChEMBL_1586019 (CHEMBL3820483)	Inhibition of EPHB1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	87	ChEMBL_1586082 (CHEMBL3820843)	Inhibition of PKACalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	88	ChEMBL_1586029 (CHEMBL3820493)	Inhibition of FGFR3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	89	ChEMBL_1586027 (CHEMBL3820491)	Inhibition of FGFR1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	90	ChEMBL_1586028 (CHEMBL3820492)	Inhibition of FGFR2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	91	ChEMBL_1586026 (CHEMBL3820490)	Inhibition of FLT4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	92	ChEMBL_1586043 (CHEMBL3820660)	Inhibition of LYNA (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	93	ChEMBL_1586060 (CHEMBL3820677)	Inhibition of TYK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	94	ChEMBL_1586061 (CHEMBL3820678)	Inhibition of YES (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	95	ChEMBL_1586040 (CHEMBL3820657)	Inhibition of KDR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	96	ChEMBL_1586047 (CHEMBL3820664)	Inhibition of PDGFRalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	97	ChEMBL_1586048 (CHEMBL3820665)	Inhibition of PDGFRbeta (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	98	ChEMBL_1586041 (CHEMBL3820658)	Inhibition of LCK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	99	ChEMBL_1586042 (CHEMBL3820659)	Inhibition of LTK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	100	ChEMBL_1586045 (CHEMBL3820662)	Inhibition of MUSK (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	101	ChEMBL_1586046 (CHEMBL3820663)	Inhibition of p38alpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	102	ChEMBL_1586049 (CHEMBL3820666)	Inhibition of PKCalpha (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	103	ChEMBL_1586030 (CHEMBL3820494)	Inhibition of FGFR4 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	104	ChEMBL_1586023 (CHEMBL3820487)	Inhibition of FES (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	105	ChEMBL_1586014 (CHEMBL3820478)	Inhibition of EGFR (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	106	ChEMBL_1586025 (CHEMBL3820489)	Inhibition of FLT3 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	107	ChEMBL_1586016 (CHEMBL3820480)	Inhibition of EGFR T790M mutant (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	108	ChEMBL_1586021 (CHEMBL3820485)	Inhibition of ERK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047676	109	ChEMBL_1586018 (CHEMBL3820482)	Inhibition of EPHA1 (unknown origin) incubated for 1 hr by spectrophotometric analysis
50047677	1	ChEMBL_1586102 (CHEMBL3820863)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50047677	2	ChEMBL_1586101 (CHEMBL3820862)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50047678	1	ChEMBL_1586115 (CHEMBL3821030)	Inhibition of recombinant human CDK4/cyclin D1 using fluoresceinyl-AhxPro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate incubated for 45 mins by fluorescence polarization assay
50047678	2	ChEMBL_1586114 (CHEMBL3821029)	Inhibition of recombinant human CDK2/cyclin A2 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate incubated for 45 mins by fluorescence polarization assay
50047679	1	ChEBML_1586511	Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	46	ChEMBL_1586513 (CHEMBL3821452)	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	12	ChEBML_1586513	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	2	ChEBML_1586512	Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	3	ChEBML_1586513	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	53	ChEMBL_1586516 (CHEMBL3821455)	Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	32	ChEBML_1586516	Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	21	ChEBML_1586512	Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	33	ChEBML_1586512	Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	20	ChEBML_1586516	Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	16	ChEBML_1586515	Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	17	ChEBML_1586517	Displacement of [3H]Citalopram from human SERT expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	15	ChEBML_1586514	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	48	ChEMBL_1586512 (CHEMBL3821451)	Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	50	ChEMBL_1586510 (CHEMBL3821449)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	9	ChEMBL_1586517 (CHEMBL3821456)	Displacement of [3H]Citalopram from human SERT expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	51	ChEMBL_1586508 (CHEMBL3821447)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	6	ChEMBL_1586514 (CHEMBL3821453)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50020713	1	ChEMBL_437263 (CHEMBL906657)	Inhibition of recombinant deoxyhypusine synthase in Plasmodium falciparum NF54
50047679	52	ChEMBL_1586509 (CHEMBL3821448)	Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50047679	54	ChEMBL_1586511 (CHEMBL3821450)	Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50018706	1	ChEMBL_440929 (CHEMBL890019)	Inhibition human liver MAOA activity
50047679	7	ChEMBL_1586515 (CHEMBL3821454)	Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting
50019321	1	ChEMBL_441951 (CHEMBL891095)	Inhibition of human NAD kinase
50047679	49	ChEMBL_1586520 (CHEMBL3821459)	Inhibition of D2 receptor (unknown origin)
50020063	1	ChEMBL_443914 (CHEMBL893079)	Inhibition of chorismate mutase in Mycobacterium tuberculosis H37Rv strain
50047680	1	ChEMBL_1586522 (CHEMBL3821461)	Inhibition of human Akt1 PH domain using AKTide-2T as substrate by ELISA
50047681	1	ChEMBL_1586596 (CHEMBL3821817)	Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount method
50047681	2	ChEMBL_1586597 (CHEMBL3821818)	Inhibition of human SERT expressed in CHO cells assessed as [3H]-5-hydroxytryptamine reuptake incubated for 20 mins measured after 30 mins by topcount method
50047681	3	ChEMBL_1586598 (CHEMBL3821819)	Inhibition of human DAT expressed in CHO cells assessed as [3H]-dopamine reuptake incubated for 60 mins measured after 30 mins by topcount method
50047682	1	ChEMBL_1586137 (CHEMBL3821052)	Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by TMPD oxidation based colorimetric assay
50047682	2	ChEMBL_1586136 (CHEMBL3821051)	Inhibition of heme catalyzed hydroperoxidase activity of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by TMPD oxidation based colorimetric assay
50047683	1	ChEMBL_1586150 (CHEMBL3821246)	Inhibition of bovine liver beta-glucuronidase assessed as p-nitrophenol formation preincubated for 30 mins followed by p-nitrophenyl-beta-D-glucuronide addition by spectrophotometric method
50047684	1	ChEMBL_1586286 (CHEMBL3820208)	Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP
50047684	2	ChEMBL_1586157 (CHEMBL3821253)	Inhibition of CYP3A4 (unknown origin)
50047684	3	ChEMBL_1586344 (CHEMBL3820514)	Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by TR-FRET assay
50047684	4	ChEMBL_1586153 (CHEMBL3821249)	Inhibition of TTK (unknown origin)
50020665	3	ChEMBL_447771 (CHEMBL896780)	Inhibition of human S1P expressed in CHOK1 cells
50020422	1	ChEMBL_447924 (CHEMBL898174)	Inhibition of human DAT expressed in COS1 cells
50020794	1	ChEMBL_448678 (CHEMBL897828)	Binding affinity to PPARgamma
50047684	5	ChEMBL_1586343 (CHEMBL3820513)	Inhibition of human PLK4 by radiometric assay
50047684	6	ChEMBL_1586342 (CHEMBL3820512)	Inhibition of recombinant human His-tagged Aurora B/full length recombinant human N-terminal GST-tagged INCENP (821-end residues) expressed in baculovirus infected Sf21 cells by radiometric assay
50047684	7	ChEMBL_1586341 (CHEMBL3820511)	Inhibition of full length recombinant human N-terminal His6-tagged Aurora A expressed in Sf21 cells by radiometric assay
50047685	1	ChEMBL_1586415 (CHEMBL3820890)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescence assay
50047685	2	ChEMBL_1586412 (CHEMBL3820887)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50047685	3	ChEMBL_1586411 (CHEMBL3820886)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50047686	1	ChEMBL_1586208 (CHEMBL3819923)	Inhibition of human recombinant PTP1B catalytic domain using p-nitrophenyl phosphate as substrate by micro plate reader method
50021713	2	ChEMBL_452329 (CHEMBL902566)	Inhibition of Mycobacterium tuberculosis MshB by fluorescence-detected HPLC assay
50047686	2	ChEMBL_1586209 (CHEMBL3819924)	Inhibition of human TCPTP using p-nitrophenyl phosphate as substrate by micro plate reader method
50047686	3	ChEMBL_1586211 (CHEMBL3819926)	Inhibition of human recombinant PTP1B expressed in Escherichia coli using p-nitrophenyl phosphate as substrate by UV spectroscopy
50047686	4	ChEMBL_1586212 (CHEMBL3819927)	Inhibition of human recombinant TCPTP (1 to 341 residues) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate by UV spectroscopy
50047686	5	ChEMBL_1586214 (CHEMBL3819929)	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate by colorimetric method
50047686	6	ChEMBL_1586215 (CHEMBL3819930)	Inhibition of TCPTP (unknown origin) using p-nitrophenyl phosphate as substrate by colorimetric method
50047686	7	ChEMBL_1586217 (CHEMBL3819932)	Inhibition of human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate by colorimetric method
50047686	8	ChEMBL_1586218 (CHEMBL3819933)	Inhibition of human recombinant PTP1B (1 to 321 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 60 mins at pH 5.5 by micro plate reader method
50047686	9	ChEMBL_1586219 (CHEMBL3819934)	Inhibition of recombinant TCPTP (unknown origin) at pH 7
50047686	10	ChEMBL_1586220 (CHEMBL3819935)	Inhibition of flag-tagged human PTP1B (1 to 298 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as substrate by microplate reader method
50047686	11	ChEMBL_1586222 (CHEMBL3819937)	Inhibition of human TCPTP (1 to 296 residues) catalytic domain expressed in Escherichia coli BL21 cells using fluorescein diphosphate as substrate by microplate reader method
50047686	12	ChEMBL_1586224 (CHEMBL3819939)	Inhibition of PTP1B catalytic domain (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using p-Nitrophenyl phosphate as substrate
50047686	13	ChEMBL_1586226 (CHEMBL3820044)	Inhibition of human recombinant PTP1B catalytic domain expressed in Escherichia coli BL21 (DE3) cells using p-Nitrophenyl phosphate as substrate by microplate reader method
50047686	14	ChEMBL_1586227 (CHEMBL3820045)	Inhibition of human GST-tagged TCPTP expressed in Escherichia coli BL21 (DE3) cells using p-Nitrophenyl phosphate as substrate by microplate reader method
50047686	15	ChEMBL_1586199 (CHEMBL3819914)	Inhibition of human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate monitered every 30 secs for 15 mins by micro plate reader method
50047686	16	ChEMBL_1586200 (CHEMBL3819915)	Inhibition of TCPTP (unknown origin)
50047686	17	ChEMBL_1586202 (CHEMBL3819917)	Inhibition of PTP1B (unknown origin)
50047686	18	ChEMBL_1586204 (CHEMBL3819919)	Inhibition of flag-tagged PTP1B (1 to 321 residues) (unknown origin) expressed in bacterial expression system by UV/Vis spectrophotometry
50047686	19	ChEMBL_1586205 (CHEMBL3819920)	Inhibition of TCPTP (unknown origin) by UV/Vis spectrophotometry
50047687	1	ChEMBL_1586231 (CHEMBL3820049)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	2	ChEMBL_1586232 (CHEMBL3820050)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	3	ChEMBL_1586230 (CHEMBL3820048)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method
50020411	1	ChEMBL_456126 (CHEMBL888135)	Inhibition of yeast glyoxalase 1
50047687	4	ChEMBL_1586229 (CHEMBL3820047)	Binding affinity to dopamine D2 receptor in human brain caudate nucleus
50047687	5	ChEMBL_1586233 (CHEMBL3820051)	Binding affinity to dopamine D3 receptor (unknown origin)
50021138	1	ChEMBL_457584 (CHEMBL922784)	Inhibition of BRCA1 assessed as BRCT-BACH1 interaction
50021254	1	ChEMBL_457977 (CHEMBL924246)	Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction
50047687	6	ChEMBL_1586234 (CHEMBL3820052)	Binding affinity to dopamine D4 receptor (unknown origin)
50047687	7	ChEMBL_1586235 (CHEMBL3820053)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	8	ChEMBL_1586236 (CHEMBL3820054)	Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	9	ChEMBL_1586237 (CHEMBL3820055)	Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	10	ChEMBL_1586238 (CHEMBL3820056)	Displacement of [3H]spiperone from human recombinant 5HT1A receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method
50047687	11	ChEMBL_1586239 (CHEMBL3820057)	Binding affinity to human 5HT2A receptor
50047687	12	ChEMBL_1586240 (CHEMBL3820058)	Displacement of [3H]5-HT from human 5HT7 receptor expressed in African green monkey COS7 cell membrane incubated for 30 mins
50047687	13	ChEMBL_1586241 (CHEMBL3820059)	Binding affinity to human dopamine D2 receptor by radioligand displacement assay
50047687	14	ChEMBL_1586242 (CHEMBL3820060)	Binding affinity to human dopamine D4 receptor by radioligand displacement assay
50047687	15	ChEMBL_1586243 (CHEMBL3820061)	Displacement of [125I]-IABN from human recombinant dopamine D3 receptor expressed in HEK293 cell membrane incubated for 60 mins filtration binding assay
50047687	16	ChEMBL_1586244 (CHEMBL3820062)	Binding affinity to 5HT2A receptor (unknown origin)
50047687	17	ChEMBL_1586245 (CHEMBL3820063)	Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	18	ChEMBL_1586246 (CHEMBL3820064)	Displacement of [3H]Mesulergine from human recombinant 5HT2C receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	19	ChEMBL_1586247 (CHEMBL3820065)	Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method
50047687	20	ChEMBL_1586248 (CHEMBL3820066)	Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method
50047687	21	ChEMBL_1586249 (CHEMBL3820067)	Displacement of [3H]-5-carboxyamidotryptamine from human 5HT7 receptor by liquid scintillation counting method
50047688	1	ChEMBL_1586256 (CHEMBL3820074)	Induction of recombinant human RNase L activity expressed in Escherichia coli using F-5'-r(C11U2C7)-3' as substrate by polyacrylamide gel electrophoresis
50047689	1	ChEMBL_1586257 (CHEMBL3820075)	Agonist activity at human APJ receptor expressed in cells c-expressing Galphaq16 assessed as calcium mobilization by FLIPR assay
50021968	1	ChEMBL_461876 (CHEMBL929012)	Inhibition of dihydrodipicolinate synthase
50047689	2	ChEMBL_1586259 (CHEMBL3820077)	Partial agonist activity at rat NTS2 receptor expressed in CHOK1 cells assessed as calcium mobilization by FLIPR assay
50047689	3	ChEMBL_1586260 (CHEMBL3820078)	Displacement of [125I]-apelin13 from human APJ receptor expressed in CHOK1 cell membranes after 2 hrs by scintillation counting
50047689	4	ChEMBL_1586261 (CHEMBL3820079)	Agonist activity at APJ receptor (unknown origin)
50047690	1	ChEMBL_1586270 (CHEMBL3820192)	Inhibition of wild type human EGFR preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay
50047690	2	ChEMBL_1586271 (CHEMBL3820193)	Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay
50047690	3	ChEMBL_1586272 (CHEMBL3820194)	Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by ATP addition for 30 mins by HTRF assay
50047691	1	ChEMBL_1586733 (CHEMBL3825050)	Non-competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes with increasing [14C]-SAM levels and fixed AFC substrate level by Lineweaver-Burk plot analysis
50022384	1	ChEMBL_462614 (CHEMBL929603)	Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer-2-mediated quorum sensing after 3 to 4 hrs
50047691	2	ChEMBL_1586734 (CHEMBL3825051)	Competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using increasing AFC substrate levels and fixed [14C]-SAM level by Lineweaver-Burk plot analysis
50047691	3	ChEMBL_1586735 (CHEMBL3825052)	Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and incubated for 30 mins by liquid scintillation counting based methyltransferase vapor diffusion assay
50047692	1	ChEMBL_1586785 (CHEMBL3825271)	Binding affinity to human BRD9 isoform 1 by BROMOScan analysis
50047692	2	ChEMBL_1586786 (CHEMBL3825272)	Binding affinity to human BRD9 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method
50047692	3	ChEMBL_1586793 (CHEMBL3826478)	Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen assay
50030167	1	ChEMBL_549058 (CHEMBL995510)	Inhibition of rat squalene synthase
50030167	2	ChEMBL_549059 (CHEMBL995511)	Inhibition of squalene synthase
50030168	1	ChEMBL_548684 (CHEMBL1027594)	Inhibition of electric eel AChE
50030170	1	ChEMBL_502637 (CHEMBL989312)	Inhibition of pig lens aldose reductase by spectrophotometry
50030171	1	ChEMBL_502680 (CHEMBL989355)	Inhibition of PLA2
50047692	4	ChEMBL_1586794 (CHEMBL3826479)	Inhibition of human N-terminal GST-tagged BRD2-BD1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen assay
50030173	1	ChEMBL_503060 (CHEMBL983185)	Displacement of [3H]phenylisopropyladenosine from adenosine A1 receptor in bovine cerebral cortex membrane
50030174	1	ChEMBL_503071 (CHEMBL984048)	Inhibition of human recombinant LTA4 hydrolase assessed as LTB4 production after 30 mins by ELISA
50030174	2	ChEMBL_503072 (CHEMBL984049)	Inhibition of human recombinant LTA4 aminopeptidase activity spectrophotometric analysis
50030174	3	ChEMBL_503075 (CHEMBL984052)	Inhibition of rabbit lung ACE
50030176	1	ChEMBL_503132 (CHEMBL987630)	Inhibition of snake venom phospholipase A2 assessed as oxygen consumption for 3 mins
50030178	1	ChEMBL_503268 (CHEMBL993916)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor by vacuum filtration
50047692	5	ChEMBL_1586795 (CHEMBL3826480)	Inhibition of human N-terminal GST-tagged BRD4-BD2 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen assay
50030179	1	ChEMBL_503314 (CHEMBL992906)	Inhibition of LFA1 binding to full length soluble ICAM1 by gamma scintillation counter
50030181	1	ChEMBL_482174 (CHEMBL960208)	Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase
50030181	2	ChEMBL_482175 (CHEMBL960209)	Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase
50023000	2	ChEMBL_551179 (CHEMBL997398)	Inhibition of rat intestinal sucrase expressed in human Caco-2 cells
50030182	1	ChEMBL_549544 (CHEMBL1013316)	Displacement of radioligand from 5HT1A receptor by liquid scintillation spectrometry
50030182	2	ChEMBL_549545 (CHEMBL1013317)	Displacement of radioligand from 5HT2 receptor by liquid scintillation spectrometry
50030182	3	ChEMBL_549546 (CHEMBL1013318)	Displacement of radioligand from 5HT3 receptor by liquid scintillation spectrometry
50030183	1	ChEMBL_550161 (CHEMBL1005068)	Displacement of [125I]-TGFalpha from human EGFR in human A431 cell membrane by SPA
50030184	1	ChEMBL_550165 (CHEMBL1005072)	Inhibition of PLA2 in fMLP and A23187 ionophore-stimulated human HL60 cells assessed as effect on [3H]arachidonic acid release
50047692	6	ChEMBL_1586796 (CHEMBL3826481)	Binding affinity to human N-terminal 6His-tagged BRD9 isoform 1 by SPR method
50047692	7	ChEMBL_1586797 (CHEMBL3826482)	Inhibition of human N-terminal GST-tagged BRD4-BD1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen assay
50030186	1	ChEMBL_550868 (CHEMBL1007667)	Inhibition of Wistar rat intestinal isomaltase by glucose B-test
50030188	1	ChEMBL_551235 (CHEMBL1000873)	Displacement of immobilized sulfatide from P-selectin transfected in african green monkey COS cells by IgG-based competitive ELISA
50030189	1	ChEMBL_551948 (CHEMBL1005932)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat forebrain membrane
50030190	1	ChEMBL_546878 (CHEMBL1029214)	Inhibition of electric eel AChE by Ellman's method
50030191	1	ChEMBL_503507 (CHEMBL991179)	Inhibition of human HMGCoA reductase
50030192	1	ChEMBL_503508 (CHEMBL991180)	Inhibition of cow milk xanthine oxidase
50030193	1	ChEMBL_485590 (CHEMBL1017343)	Displacement of [3H]LTB4 from LTB4 receptor expressed in human U937 cell membrane
50030193	2	ChEMBL_485591 (CHEMBL1017344)	Binding affinity to LTB4 receptor in human U937 cells by whole cell assay
50030193	3	ChEMBL_485593 (CHEMBL1017346)	Antagonist activity at LTB4 receptor in fura-2 loaded human U937 cells assessed as inhibition of LTB4-induced calcium mobilization
50030194	3	ChEMBL_486182 (CHEMBL1013976)	Displacement of [3H]DAGO from mu opioid receptor
50030194	6	ChEMBL_486185 (CHEMBL1016593)	Displacement of [3H]LTB4 from LTB4R
50030194	7	ChEMBL_486186 (CHEMBL1016594)	Displacement of [3H]LTD4 from LTD4 receptor
50030194	8	ChEMBL_486187 (CHEMBL1016595)	Displacement of [3H]SQ29548 from thromboxane A2 receptor
50030194	9	ChEMBL_486188 (CHEMBL1016596)	Displacement of [3H]DMI from norepinephrine transporter
50030194	10	ChEMBL_486189 (CHEMBL1016597)	Displacement of [3H]citalopram from serotonin transporter
50030194	11	ChEMBL_486190 (CHEMBL1016598)	Displacement of [3H]WIN-from cocaine site of dopamine transporter
50030194	12	ChEMBL_485909 (CHEMBL1013912)	Displacement of [3H]CPX from adenosine A1 receptor
50030194	13	ChEMBL_485912 (CHEMBL1013915)	Displacement of [3H]RX781094 from alpha2 adrenergic receptor
50030194	14	ChEMBL_485923 (CHEMBL1013926)	Displacement of [3H]SCH23390 from dopamine D1 receptor
50030194	15	ChEMBL_485924 (CHEMBL1013927)	Displacement of [3H]sulpiride from dopamine D2 receptor
50030194	16	ChEMBL_485925 (CHEMBL1013928)	Displacement of [3H]pyrilamine from histamine H1 receptor
50030195	1	ChEMBL_483453 (CHEMBL954554)	Displacement of [125]ET1 from ETA receptor in pig thoracic aorta
50030196	1	ChEMBL_484347 (CHEMBL999228)	Inhibition of rat liver squalene synthase by liqiud scintillation counting
50030197	1	ChEMBL_485351 (CHEMBL1013871)	Inhibition of substance P receptor
50030198	1	ChEMBL_485637 (CHEMBL1017390)	Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane
50030198	2	ChEMBL_485638 (CHEMBL1017391)	Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane by competitive displacement assay
50030198	3	ChEMBL_485639 (CHEMBL1017392)	Binding affinity to vasopressin V1a receptor
50030199	1	ChEMBL_486011 (CHEMBL1017447)	Inhibition of LFA1 expressed in human JY cells interaction with ICAM1-IG expressed in human HeLa cell monolayer after 45 mins by cell adhesion assay
50030200	1	ChEMBL_486310 (CHEMBL1009539)	Inhibition of soybean lipoxygenase-1
50047692	8	ChEMBL_1586817 (CHEMBL3826649)	Inhibition of ACVR1 (unknown origin)
50047692	9	ChEMBL_1586818 (CHEMBL3826650)	Inhibition of TGFBR1 (unknown origin)
50047692	10	ChEMBL_1586819 (CHEMBL3826651)	Inhibition of ACVR2B (unknown origin)
50030201	1	ChEMBL_481041 (CHEMBL996660)	Binding affinity to histamine H3 receptor in guinea pig brain membrane
50047692	11	ChEMBL_1586825 (CHEMBL3826657)	Inhibition of BRD9 in mouse RN2 cells assessed as decrease in cell proliferation by cell titer glow assay
50030202	1	ChEMBL_481050 (CHEMBL997490)	Inhibition of PKC delta
50030202	2	ChEMBL_481048 (CHEMBL997488)	Inhibition of PKC gamma
50047692	12	ChEMBL_1586832 (CHEMBL3826664)	Inhibition of CYP2C8 in human liver microsomes in presence of NADPH using amodiaquine as substrate measured within 2.5 mins by LC-MS/MS analysis
50030202	3	ChEMBL_481053 (CHEMBL997493)	Inhibition of PKC beta2
50047692	13	ChEMBL_1586833 (CHEMBL3826665)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH using diclofenac as substrate measured within 2.5 mins by LC-MS/MS analysis
50030202	4	ChEMBL_481054 (CHEMBL997494)	Inhibition of PKC epsilon
50030203	1	ChEMBL_480457 (CHEMBL941112)	Displacement of [3H]substance P from NK1 receptor in human astrocytoma cells
50030204	1	ChEMBL_546423 (CHEMBL1025822)	Inhibition of pig kidney cytosolic Leucyl aminopeptidase
50030205	1	ChEMBL_546429 (CHEMBL1025828)	Displacement of QNB from muscarinic M2 receptor
50030205	2	ChEMBL_546430 (CHEMBL1025829)	Displacement of QNB from muscarinic M4 receptor
50030205	3	ChEMBL_546428 (CHEMBL1025827)	Displacement of QNB from muscarinic M1 receptor
50030206	1	ChEMBL_546484 (CHEMBL1026653)	Displacement of [125I]thrombin from thrombin receptor in human platelet membrane
50030207	1	ChEMBL_546495 (CHEMBL1026664)	Inhibition of DNA polymerase beta
50047692	14	ChEMBL_1586834 (CHEMBL3826666)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH using mephenytoin as substrate measured within 2.5 mins by LC-MS/MS analysis
50030208	1	ChEMBL_546738 (CHEMBL1032552)	Inhibition of 15-lipoxygenase
50047692	15	ChEMBL_1586835 (CHEMBL3826667)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH using midazolam as substrate measured within 2.5 mins by LC-MS/MS analysis
50030209	1	ChEMBL_507938 (CHEMBL952559)	Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry
50030210	1	ChEMBL_507943 (CHEMBL937906)	Displacement of [125I]endothelin-1 from ETA receptor in rat A10 cells by scintillation counting
50030210	2	ChEMBL_507944 (CHEMBL937907)	Displacement of [125I]endothelin-1 from human recombinant ETA receptor expressed in CHO cells
50030210	3	ChEMBL_507945 (CHEMBL937908)	Displacement of [125I]endothelin-1 from human recombinant ETB receptor expressed in CHO cells
50030211	1	ChEMBL_506191 (CHEMBL941395)	Inhibition of bovine liver MAOB
50030212	1	ChEMBL_506526 (CHEMBL945560)	Inhibition of p60 src
50030212	3	ChEMBL_506203 (CHEMBL941407)	Inhibition of p56 lck
50030212	4	ChEMBL_506213 (CHEMBL942402)	Inhibition of Abelson murine leukemia virus p60 v-abl
50030212	5	ChEMBL_506212 (CHEMBL942401)	Inhibition of p60c-src expressed in chick embryo fibroblast
50030212	6	ChEMBL_506200 (CHEMBL941404)	Inhibition of EGFR in human A431 cells
50047692	16	ChEMBL_1586836 (CHEMBL3826668)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH using dextromethorphan as substrate measured within 2.5 mins by LC-MS/MS analysis
50047692	17	ChEMBL_1586798 (CHEMBL3826483)	Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen assay
50030212	8	ChEMBL_506204 (CHEMBL941408)	Inhibition of Fujinami sarcoma virus pp130fps
50047692	18	ChEMBL_1586799 (CHEMBL3826484)	Inhibition of human BRD9 isoform 1 co-expressed with H4 histone in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET furimazine as substrate measured within 5 mins by nanoBRET assay
50030213	1	ChEMBL_487004 (CHEMBL1015631)	Inhibition of cow milk xanthine oxidase
50047692	19	ChEMBL_1586800 (CHEMBL3826485)	Inhibition of human BRD9 isoform 1 co-expressed with H3 histone family 3A in HEK293 cells preincubated for 18 hrs followed by addition of nano-BRET furimazine as substrate measured within 5 mins by nanoBRET assay
50030214	1	ChEMBL_482481 (CHEMBL956177)	Displacement of [3H]pCl-DPDP from delta opioid receptor in rat central nervous system membrane
50047692	20	ChEMBL_1586801 (CHEMBL3826486)	Inhibition of human BRD7 by VP-ITC method
50030214	2	ChEMBL_482482 (CHEMBL956178)	Displacement of [3H]DAMGO from mu opioid receptor in rat central nervous system membrane
50047692	21	ChEMBL_1586802 (CHEMBL3826487)	Inhibition of human BRD9 isoform 1 by VP-ITC method
50030215	2	ChEMBL_482494 (CHEMBL956190)	Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 14 units of enzyme
50030215	1	ChEMBL_482493 (CHEMBL956189)	Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme
50030216	1	ChEMBL_483395 (CHEMBL964320)	Inhibition of ACE
50030216	2	ChEMBL_483399 (CHEMBL964324)	Inhibition of ACE by Lineweaver-Burke plot
50030217	1	ChEMBL_483725 (CHEMBL997480)	Displacement of [3H]SCH23390 from dopamine D1 receptor in Wistar rat striatal membrane by liquid scintillation counting
50030217	2	ChEMBL_483726 (CHEMBL997481)	Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting
50025285	1	ChEMBL_530842 (CHEMBL970163)	Inhibition of human recombinant COX2
50047692	22	ChEMBL_1586813 (CHEMBL3826498)	Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by BROMOScan analysis
50047692	23	ChEMBL_1586812 (CHEMBL3826497)	Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method
50047692	24	ChEMBL_1586811 (CHEMBL3826496)	Inhibition of human BRD4-BD1 by alpha assay
50047692	25	ChEMBL_1586810 (CHEMBL3826495)	Binding affinity to human BRD4 isoform long, bromodomain 1 by BROMOScan analysis
50047692	26	ChEMBL_1586809 (CHEMBL3826494)	Binding affinity to human BRD4-BD1 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method
50047692	27	ChEMBL_1586808 (CHEMBL3826493)	Inhibition of human BRD7 measured after mins by AlphaScreen assay
50047692	28	ChEMBL_1586807 (CHEMBL3826492)	Binding affinity to human BRD7 by BROMOScan analysis
50047692	29	ChEMBL_1586806 (CHEMBL3826491)	Binding affinity to human BRD7 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method
50047693	1	ChEBML_1586856	Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
50047693	2	ChEBML_1586857	Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
50047693	4	ChEMBL_1586856 (CHEMBL3824476)	Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
50047693	5	ChEMBL_1586857 (CHEMBL3824477)	Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
50047693	3	ChEMBL_1586866 (CHEMBL3824486)	Agonist activity at rat GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay
50024550	2	ChEMBL_524793 (CHEMBL969191)	Inhibition of sheep placental COX2 by liquid scintillation counter
50026398	18	ChEMBL_487427 (CHEMBL1020882)	Inhibition of norepinephrine uptake at rat brain norepinephrine transporter
50026423	1	ChEMBL_492080 (CHEMBL946246)	Inhibition of rat kidney aldose reductase activity assessed as NADPH oxidation
50026430	1	ChEMBL_492423 (CHEMBL949379)	Inhibition of human serum BchE by Ellman's assay
50026542	14	ChEMBL_490815 (CHEMBL992752)	Binding affinity to rat NET
50047694	1	ChEMBL_1586879 (CHEMBL3824499)	Inhibition of human N-terminal 6-histidine/Avi-tagged recombinant RAD51 expressed in Escherichia coli BL21(DE3) assessed as D-loop formation using 5'-32P-labeled 90-mer ssDNA as substrate preincubated for 10 mins followed by substrate addition with subsequent incubation with substrate for 5 mins measured after 20 mins in presence of supercoiled pRS306 dsDNA by agarose gel electrophoresis
50047694	2	ChEMBL_1586883 (CHEMBL3824503)	Inhibition of RAD51-mediated homologous recombination in human HEK293-DR-GFP cells transfected with pCBASce expressing I-Sce-I after 24 hrs following transfection by 7-aminoactinomycin D staining based flow cytometry
50047694	3	ChEMBL_1586880 (CHEMBL3824500)	Inhibition of Escherichia coli BL21(DE3) expressing human N-terminal 6-histidine/Avi-tagged RAD51 binding to 5'-Alexa488-oligo-dT45 ssDNA preincubated for 40 mins followed by substrate addition measured after 40 mins by fluorescence polarization based microplate method
50026976	1	ChEMBL_535143 (CHEMBL984593)	Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR
50026976	2	ChEMBL_535145 (CHEMBL984595)	Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcriptional activation after 16 hrs by luciferase reporter gene assay
50047695	1	ChEMBL_1586963 (CHEMBL3825097)	Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluo-4 NW dye based fluorescence imaging plate reader method
50047695	2	ChEMBL_1586976 (CHEMBL3825110)	Inhibition of human CYP1A2
50027479	1	ChEMBL_558218 (CHEMBL960616)	Inhibition of cathepsin B in oxygen free condition
50027538	1	ChEMBL_558457 (CHEMBL963863)	Displacement of [125I]Ang2 from AT1 receptor in bovine adrenal cortex
50047695	3	ChEMBL_1586959 (CHEMBL3825093)	Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluo-4 AM dye based fluorescence imaging plate reader method
50047695	4	ChEMBL_1586960 (CHEMBL3825094)	Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluo-4 AM dye based fluorescence imaging plate reader method
50047695	5	ChEMBL_1586961 (CHEMBL3825095)	Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluorescence imaging plate reader method
50047695	6	ChEMBL_1586962 (CHEMBL3825096)	Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-4 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluorescence imaging plate reader method
50047696	1	ChEMBL_1586903 (CHEMBL3824699)	Activation of VDR in human Jurkat cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay
50047696	2	ChEMBL_1586901 (CHEMBL3824697)	Activation of VDR in human HaCaT cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay
50047696	3	ChEMBL_1586902 (CHEMBL3824698)	Activation of VDR in human Caco2 cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay
50030218	1	ChEMBL_496615 (CHEMBL1003790)	Binding affinity to human muscarinic M3 receptor
50030218	2	ChEMBL_496613 (CHEMBL1003788)	Binding affinity to human muscarinic M1 receptor
50030218	3	ChEMBL_496614 (CHEMBL1003789)	Binding affinity to human muscarinic M2 receptor
50030218	4	ChEMBL_496612 (CHEMBL1003787)	Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ITAC challenge
50047697	1	ChEMBL_1586953 (CHEMBL3825087)	Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay
50030218	5	ChEMBL_496617 (CHEMBL1003792)	Displacement of [125I]ITAC from CXCR3 in PHA/IL-2 activated human PBMC pretreated 30 mins before [125I]ITAC challenge after 1 hr by liquid scintillation counter
50030219	1	ChEMBL_496902 (CHEMBL1001997)	Inhibition of ADAM10
50030219	3	ChEMBL_496900 (CHEMBL1001177)	Inhibition of MMP7
50030219	4	ChEMBL_496899 (CHEMBL1001176)	Inhibition of MMP3
50030219	5	ChEMBL_496898 (CHEMBL1001175)	Inhibition of MMP2
50030219	6	ChEMBL_496897 (CHEMBL1001174)	Inhibition of MMP1
50030219	7	ChEMBL_496896 (CHEMBL1001173)	Inhibition of human recombinant TACE
50026929	1	ChEMBL_513497 (CHEMBL975403)	Antagonist activity at human androgen receptor expressed in mouse NIH3T3 cells assessed as inhibition of DHT-induced transcriptional activation after 24 hrs by androgen response element-mediated luciferase reporter gene assay
50026932	1	ChEMBL_510925 (CHEMBL1007259)	Antagonist activity at VDR expressed in COS7 cells assessed as inhibition of 1,25-Dihydroxyvitamin D3-induced response by transient transcription assay
50026932	2	ChEMBL_510923 (CHEMBL1007257)	Agonist activity at VDR assessed as receptor transactivation by transient transcription assay
50047697	2	ChEMBL_1587010 (CHEMBL3825310)	Inhibition of CDK1 (unknown origin)
50047697	3	ChEMBL_1587011 (CHEMBL3825311)	Inhibition of CDK7 (unknown origin)
50047697	4	ChEMBL_1587012 (CHEMBL3825312)	Inhibition of CDK8 (unknown origin)
50047697	5	ChEMBL_1587013 (CHEMBL3825313)	Inhibition of CDK9 (unknown origin)
50047697	6	ChEMBL_1587034 (CHEMBL3825430)	Inhibition of CYP3A4 (unknown origin)
50047697	7	ChEMBL_1587039 (CHEMBL3825435)	Inhibition of human ERK2 (2 to 360 residues)
50047697	8	ChEMBL_1586949 (CHEMBL3825083)	Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins
50030220	1	ChEMBL_493881 (CHEMBL944252)	Inhibition of RNase A
50030220	2	ChEMBL_493882 (CHEMBL944253)	Inhibition of human EDN
50030220	3	ChEMBL_493883 (CHEMBL944254)	Inhibition of human angiogenin
50030220	4	ChEMBL_493877 (CHEMBL944248)	Inhibition of bovine pancreatic RNase A by spectrophotometric method
50030221	1	ChEMBL_493884 (CHEMBL944255)	Inhibition of human Met by electrochemiluminescent two-site immunoassay
50030221	2	ChEMBL_493885 (CHEMBL944256)	Inhibition of Met in HGF-stimulated human B5/589 cells by electrochemiluminescent two-site immunoassay
50030222	1	ChEMBL_493905 (CHEMBL944276)	Inhibition of human recombinant EGFR
50030223	1	ChEMBL_493907 (CHEMBL944278)	Inhibition of iNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline pre-incubated 1 hr before LPS challenge by whole cell assay
50030223	2	ChEMBL_493908 (CHEMBL944279)	Inhibition of eNOS in LPS treated human THP1 cell homogenate assessed as conversion of L-[2,3-3H]arginine to L-[2,3-3H]citrulline pre-incubated 1 hr before LPS challenge by whole cell assay
50047697	9	ChEMBL_1586950 (CHEMBL3825084)	Inhibition of CDK2 (unknown origin)
50047697	10	ChEMBL_1586952 (CHEMBL3825086)	Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts
50047698	1	ChEMBL_1587102 (CHEMBL3825637)	Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 mins by fluorescence polarization assay
50047698	2	ChEMBL_1587103 (CHEMBL3825638)	Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion
50047698	3	ChEMBL_1587104 (CHEMBL3825639)	Inhibition of RIP2K in Pam2CSK4-stimulated HEK-293 cells over-expressing TLR2 assessed as IL8 secretion
50047698	4	ChEMBL_1587106 (CHEMBL3825641)	Inhibition of p38alpha (unknown origin)
50047698	5	ChEMBL_1587107 (CHEMBL3825642)	Inhibition of VEGFR2(unknown origin)
50047698	6	ChEMBL_1587114 (CHEMBL3825649)	Inhibition of RIPK3 (unknown origin) preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 mins by fluorescence polarization assay
50030226	1	ChEMBL_494372 (CHEMBL941165)	Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation
50030226	2	ChEMBL_494370 (CHEMBL941163)	Inhibition of Staphylococcus aureus dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectrophotometric assay
50030227	1	ChEMBL_494375 (CHEMBL941168)	Binding affinity to human IgG Fc-domain tagged MAG N-terminal domain expressed in CHO cells by surface plasmon resonance
50030228	1	ChEMBL_494383 (CHEMBL941176)	Inhibition of human RNase H1 by real time monitoring assay
50030229	1	ChEMBL_494392 (CHEMBL941185)	Displacement of [3H]CP-55-940 from human recombinant CB1 receptor expressed in COS cells
50030229	2	ChEMBL_494393 (CHEMBL941186)	Displacement of [3H]CP-55-940 from human recombinant CB2 receptor expressed in COS cells
50030230	1	ChEMBL_494607 (CHEMBL945266)	Inhibition of human factor 10a by amydolitic assay
50030230	2	ChEMBL_494608 (CHEMBL945267)	Inhibition of bovine factor 2a by amydolitic assay
50047698	7	ChEMBL_1587116 (CHEMBL3825651)	Inhibition of rat RIPK2 preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 mins by fluorescence polarization assay
50047699	1	ChEMBL_1587937 (CHEMBL3826740)	Inhibition of human KIT using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP
50030231	2	ChEMBL_494629 (CHEMBL945288)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting
50047699	2	ChEMBL_1587938 (CHEMBL3826741)	Inhibition of human mTOR using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP
50047699	3	ChEMBL_1587939 (CHEMBL3826742)	Inhibition of human PDGFRalpha using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP
50030232	1	ChEMBL_494885 (CHEMBL949435)	Inhibition of human recombinant CYP3A4 using N-N,diethyl-formamide as substrate
50030232	2	ChEMBL_494884 (CHEMBL949434)	Inhibition of human recombinant CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin as substrate
50030232	3	ChEMBL_494883 (CHEMBL949433)	Inhibition of human recombinant CYP1A2
50030232	4	ChEMBL_494881 (CHEMBL949431)	Inhibition of human recombinant CYP2C8
50030232	5	ChEMBL_494882 (CHEMBL949432)	Inhibition of human recombinant CYP2C9
50030232	6	ChEMBL_494880 (CHEMBL949430)	Inhibition of human recombinant CYP2C19
50030232	7	ChEMBL_494879 (CHEMBL949429)	Inhibition of human recombinant CYP2D6
50030232	8	ChEMBL_494878 (CHEMBL949428)	Inhibition of human cloned ERG
50047699	4	ChEMBL_1587940 (CHEMBL3826743)	Inhibition of human RET using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP
50047699	5	ChEMBL_1587935 (CHEMBL3826738)	Inhibition of human ABL using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATP
50047699	6	ChEMBL_1587936 (CHEMBL3826739)	Inhibition of human FYN using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP
50047699	7	ChEMBL_1587941 (CHEMBL3824531)	Inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate measured after 5 to 120 mins in presence of [gamma-33P]ATP by Kinome assay
50047699	8	ChEMBL_1587942 (CHEMBL3824532)	Inhibition of human YES using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P] ATP
50047699	9	ChEMBL_1587984 (CHEMBL3824738)	Competitive inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate measured after 5 to 120 mins by Michaelis-Menten plot and by Lineweaver-Burk plot analysis analysis
50047700	1	ChEMBL_1587987 (CHEMBL3824741)	Binding affinity to His-tagged human WDR5 expressed in Escherichia coli by isothermal titration calorimetry
50030234	1	ChEMBL_495772 (CHEMBL1007891)	Binding affinity to SIRT1
50030234	2	ChEMBL_495757 (CHEMBL1007876)	Inhibition of human ERG by patch clamp method
50030234	3	ChEMBL_495763 (CHEMBL1007882)	Inhibition of adrenergic alpha2A receptor
50030234	4	ChEMBL_495764 (CHEMBL1007883)	Inhibition of muscarinic M1 receptor
50030234	5	ChEMBL_495765 (CHEMBL1007884)	Inhibition of muscarinic M2 receptor
50030234	6	ChEMBL_495766 (CHEMBL1007885)	Inhibition of norepinephrine transporter
50030235	1	ChEMBL_495778 (CHEMBL1007897)	Antagonist activity at human OX1 receptor
50030235	2	ChEMBL_495779 (CHEMBL1007898)	Antagonist activity at human OX2 receptor
50030235	3	ChEMBL_495789 (CHEMBL1007908)	Inhibition of OX1 receptor
50030235	4	ChEMBL_495790 (CHEMBL1007909)	Inhibition of OX2 receptor
50030235	5	ChEMBL_495791 (CHEMBL1007910)	Antagonist activity at OX1 receptor by FLIPR
50030235	6	ChEMBL_495792 (CHEMBL1007911)	Antagonist activity at OX2 receptor by FLIPR
50047700	2	ChEMBL_1587988 (CHEMBL3824742)	Inhibition of 10mer-Thr-FAM probe binding to His-tagged human WDR5 expressed in Escherichia coli incubated for 2 hrs by fluorescence polarization assay
50047700	3	ChEMBL_1587989 (CHEMBL3824743)	Binding affinity to His-tagged human WDR5 expressed in Escherichia coli BL21 by isothermal titration calorimetry
50030237	1	ChEMBL_496042 (CHEMBL998472)	Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells
50030237	2	ChEMBL_496043 (CHEMBL998473)	Displacement of [3H]D-Asp from human EAAT2 receptor expressed in HEK293 cells
50030237	3	ChEMBL_496044 (CHEMBL998474)	Displacement of [3H]D-Asp from human EAAT3 receptor expressed in HEK293 cells
50047701	1	ChEMBL_1588197 (CHEMBL3825723)	Inhibition of His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells after 30 mins using biotinylated ligand by Alpha screen displacement assay
50030237	4	ChEMBL_496048 (CHEMBL998478)	Activity at human EAAT1 expressed in HEK293 cells assessed as inhibition of Glu-induced fluorescent response by FLIPR membrane potential blue assay
50030237	5	ChEMBL_496051 (CHEMBL998481)	Activity at rat EAAT1 expressed in TSA201 cells assessed as inhibition of Glu-induced fluorescent response by FLIPR membrane potential blue assay
50047701	2	ChEMBL_1588199 (CHEMBL3825725)	Binding affinity to His6-tagged human recombinant PB1 bromodomain isoform 5 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorimetry
50047701	3	ChEMBL_1588201 (CHEMBL3825727)	Binding affinity to His6-tagged human recombinant SMARCA4 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorimetry
50047701	4	ChEMBL_1588202 (CHEMBL3825728)	Binding affinity to His6-tagged human recombinant SMARCA2B bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by VP-ITC microcalorimetry
50047702	1	ChEMBL_1588265 (CHEMBL3825930)	Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis
50030240	2	ChEMBL_518782 (CHEMBL960418)	Displacement of europium labeled galanin from human recombinant GalR2 receptor by time-resolved fluorescence binding assay
50030241	1	ChEMBL_518789 (CHEMBL960425)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release by TR-FRET assay
50047703	1	ChEMBL_1588271 (CHEMBL3825936)	Inhibition of recombinant human sEH expressed in insect High Five cells preincubated for 5 mins followed by addition of t-DPPO as substrate measured after 10 mins by liquid scintillation counter method
50047703	2	ChEMBL_1588272 (CHEMBL3825937)	Inhibition of recombinant human mEH expressed in baculovirus expression system assessed as formation of 6-methoxy-2-naphthaldehyde preincubated for 5 mins followed by addition of CMNGC as substrate by fluorescent-based assay
50047704	1	ChEMBL_1588282 (CHEMBL3826013)	Binding affinity to human BRD7 by ITC analysis
50047704	2	ChEMBL_1588281 (CHEMBL3826012)	Binding affinity to human BRD9 by ITC analysis
50047705	1	ChEMBL_1588283 (CHEMBL3826014)	Inhibition of recombinant PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins
50047705	2	ChEMBL_1588285 (CHEMBL3826016)	Inhibition of human TCPTP using pNPP as substrate incubated for 30 mins
50047705	3	ChEMBL_1588287 (CHEMBL3826018)	Inhibition of human SHP1 using pNPP as substrate incubated for 30 mins
50047705	4	ChEMBL_1588289 (CHEMBL3826020)	Inhibition of human SHP2 using pNPP as substrate incubated for 30 mins
50047705	5	ChEMBL_1588291 (CHEMBL3826022)	Inhibition of human LAR using pNPP as substrate incubated for 30 mins
50047706	1	ChEMBL_1588500 (CHEMBL3826783)	Inhibition of PDK1 (unknown origin)
50047706	2	ChEMBL_1588301 (CHEMBL3826032)	Inhibition of PDK1 (unknown origin) by FRET-based Z-lyte assay
50030244	1	ChEMBL_514897 (CHEMBL972705)	Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor
50030245	2	ChEMBL_514916 (CHEMBL972642)	Inhibition of luciferin binding site of Photinus pyralis luciferase by noncompetitive inhibition assay
50030245	3	ChEMBL_514920 (CHEMBL972646)	Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay
50047707	1	ChEMBL_1588974 (CHEMBL3825244)	Inhibition of GST-tagged human recombinant CDK5/p25 expressed in Escherichia coli using histone H1 as substrate incubated for 30 mins in presence of [gamma-33 ATP] by liquid scintillation counting analysis
50047707	2	ChEMBL_1588977 (CHEMBL3825018)	Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate
50047707	3	ChEMBL_1588978 (CHEMBL3825019)	Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 30 mins in presence of [gamma-33 ATP] by liquid scintillation counting analysis
50047708	1	ChEMBL_1588986 (CHEMBL3825027)	Mixed-type inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition by Dixon plot analysis
50047708	2	ChEMBL_1588983 (CHEMBL3825024)	Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50030245	7	ChEMBL_514925 (CHEMBL972651)	Inhibition of adenylate binding site of Photinus pyralis luciferase by quantitative high throughput screening
50030245	8	ChEMBL_514924 (CHEMBL972650)	Inhibition of adenylate binding site of Photuris pennsylvanica luciferase by quantitative high throughput screening
50047709	1	ChEMBL_1587232 (CHEMBL3826048)	Inhibition of ABCB1 in human KBVIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM after 72 hrs by SRB assay (Rvb = 2867.34 +/- 142.36 nM)
50047709	2	ChEMBL_1587212 (CHEMBL3825948)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 8 uM after 72 hrs by SRB assay (Rvb = 644.78 +/- 2.6 nM)
50047709	3	ChEMBL_1587213 (CHEMBL3825949)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by SRB assay (Rvb = 644.78 +/- 2.6 nM)
50047709	4	ChEMBL_1587217 (CHEMBL3825953)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 10 uM after 72 hrs by SRB assay (Rvb = 914.83 +/- 15.85 nM)
50047709	5	ChEMBL_1587216 (CHEMBL3825952)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 8 uM after 72 hrs by SRB assay (Rvb = 914.83 +/- 15.85 nM)
50047709	6	ChEMBL_1587215 (CHEMBL3825951)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM after 72 hrs by SRB assay (Rvb = 823.13 +/- 15.79 nM)
50047709	7	ChEMBL_1587214 (CHEMBL3825950)	Inhibition of full length human ABCB1 expressed in Flp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 8 uM after 72 hrs by SRB assay (Rvb = 823.13 +/- 15.79 nM)
50030246	1	ChEMBL_514930 (CHEMBL972656)	Inhibition of CYP2D6 in human liver microsomes
50030246	2	ChEMBL_514935 (CHEMBL973589)	Inhibition of CYP1A2
50030246	3	ChEMBL_514936 (CHEMBL973590)	Inhibition of CYP2C8
50030246	4	ChEMBL_514937 (CHEMBL973591)	Inhibition of CYP3A4
50030246	5	ChEMBL_514938 (CHEMBL973592)	Inhibition of CYP2C9
50030246	6	ChEMBL_514939 (CHEMBL973593)	Inhibition of CYP2C19
50030247	1	ChEMBL_519148 (CHEMBL944648)	Inhibition of mouse brain L-type Cav1.2 channel by radioligand binding assay
50047709	8	ChEMBL_1587229 (CHEMBL3825965)	Inhibition of ABCB1 in human KBVIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 8 uM after 72 hrs by SRB assay (Rvb = 1196.09 +/- 44.8 nM)
50047709	9	ChEMBL_1587230 (CHEMBL3825966)	Inhibition of ABCB1 in human KBVIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by SRB assay (Rvb = 1196.09 +/- 44.8 nM)
50047709	10	ChEMBL_1587231 (CHEMBL3826047)	Inhibition of ABCB1 in human KBVIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 8 uM after 72 hrs by SRB assay (Rvb = 2867.34 +/- 142.36 nM)
50047710	1	ChEMBL_1587240 (CHEMBL3826056)	Inhibition of ovine COX-2 assessed as reduction in PGF2-alpha formation using arachidonic acid as substrate by enzyme immunoassay
50030248	1	ChEMBL_496923 (CHEMBL1002018)	Inhibition of CDK4 by radioactive glutathione plate-binding assay
50030248	2	ChEMBL_496924 (CHEMBL1002019)	Inhibition of VEGFR2 by HTRF assay
50030248	3	ChEMBL_496925 (CHEMBL1002020)	Inhibition of GSK3-beta by scintillation proximity assay
50030248	4	ChEMBL_496926 (CHEMBL1002021)	Inhibition of human CDK2 by HTRF assay
50030249	1	ChEMBL_496943 (CHEMBL1002038)	Inhibition of interaction between GST-tagged Bcl-xl and Bak by surface plasmon resonance assay
50030249	2	ChEMBL_496944 (CHEMBL1002039)	Inhibition of interaction between Bcl-xl and Bak by surface plasmon resonance assay
50030249	3	ChEMBL_496941 (CHEMBL1002036)	Inhibition of interaction between GST-tagged Bcl-xl and Bak by fluorescence polarization assay
50030250	1	ChEMBL_496947 (CHEMBL1002042)	Inhibition of CDK9 in human HCT116 cells assessed as phosphor-ser2 level of RNA polymerase 2 after 16 hrs by high content cellular assay
50030250	2	ChEMBL_496948 (CHEMBL1002043)	Inhibition of CDK1/cyclin B by IMAP florescence polarization assay
50030250	3	ChEMBL_496950 (CHEMBL1002045)	Inhibition of CDK9/cyclinT by IMAP florescence polarization assay
50030250	4	ChEMBL_496974 (CHEMBL1004615)	Inhibition of CDK7/cyclinH by IMAP florescence polarization assay
50030250	5	ChEMBL_496946 (CHEMBL1002041)	Inhibition of CDK2/cyclin A by IMAP florescence polarization assay
50030251	1	ChEMBL_497210 (CHEMBL1003667)	Agonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as increase in intracellular calcium level by FLIPR assay
50030251	2	ChEMBL_497212 (CHEMBL1003669)	Antagonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium elevation pretreated 30 mins before with SR-48692 by FLIPR assay
50030251	3	ChEMBL_497213 (CHEMBL1003670)	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cells after 60 mins by beta plate liquid scintillation counter
50030252	1	ChEMBL_497215 (CHEMBL1003672)	Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells
50030252	2	ChEMBL_497216 (CHEMBL1003673)	Displacement of [125I]iodoproxyfan from rat recombinant histamine H3 receptor expressed in human SK-N-MC cells
50030253	1	ChEMBL_497219 (CHEMBL1006172)	Inhibition of human OX1 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay
50030253	2	ChEMBL_497220 (CHEMBL1006173)	Inhibition of human OX2 receptor expressed in CHO cells assessed as intercellular calcium mobilization by FLIPR assay
50030255	1	ChEMBL_497243 (CHEMBL1006196)	Displacement of [3H]nicotine from alpha4beta2 nAChR in rat brain membrane
50030255	2	ChEMBL_497245 (CHEMBL1006198)	Displacement of [3H]methyllycaconitine from alpha7 nAChR in rat brain membrane
50030256	1	ChEMBL_497271 (CHEMBL1007022)	Inhibition of EphB4
50030256	2	ChEMBL_497272 (CHEMBL1007023)	Inhibition of Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphorylation by ELISA
50030257	1	ChEMBL_497284 (CHEMBL995846)	Inhibition of EGFR kinase
50030257	2	ChEMBL_492486 (CHEMBL950399)	Inhibition of ErbB2 kinase
50030258	1	ChEMBL_492501 (CHEMBL951364)	Displacement of [3H]flumazenil in rat GABAA alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells
50030258	2	ChEMBL_492500 (CHEMBL950413)	Displacement of [3H]flumazenil in rat GABAA alpha-3-beta-3-gamma-2 receptor expressed in HEK293 cells
50030258	3	ChEMBL_492499 (CHEMBL950412)	Displacement of [3H]flumazenil in rat GABAA alpha-2-beta-3-gamma-2 receptor expressed in HEK293 cells
50030258	4	ChEMBL_492498 (CHEMBL950411)	Displacement of [3H]flumazenil in rat GABAA alpha-1-beta-3-gamma-2 receptor expressed in HEK293 cells
50047710	2	ChEMBL_1587239 (CHEMBL3826055)	Inhibition of ovine COX-1 assessed as reduction in PGF2-alpha formation using arachidonic acid as substrate by enzyme immunoassay
50047711	1	ChEMBL_1587389 (CHEMBL3824507)	Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay
50047711	2	ChEMBL_1587394 (CHEMBL3824512)	Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for URP -induced aortic contractions at 10'-5M relative to KCl
50047711	3	ChEMBL_1587395 (CHEMBL3824513)	Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for hU2-induced aortic contractions at 10'-5M relative to KCl
50047712	1	ChEMBL_1587497 (CHEMBL3825137)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate and [gamma-33P]ATP measured after 1 hr
50047712	2	ChEMBL_1587498 (CHEMBL3825138)	Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr
50047712	3	ChEMBL_1587418 (CHEMBL3824711)	Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hr
50028157	1	ChEMBL_540934 (CHEMBL1029884)	Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR
50028157	2	ChEMBL_540936 (CHEMBL1029886)	Activity at VDR in rat ROS 17/2.8 cells assessed as transcriptional activation of 24-hydroxylase gene promoter after 16 hrs by luciferase reporter gene assay
50047712	4	ChEMBL_1587417 (CHEMBL3824710)	Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hr
50028519	1	ChEMBL_562893 (CHEMBL1019666)	Activation of VDR in human THP1 cells assessed as increase in 25-hydroxyvitamin D-24-hydroxylase mRNA expression by RT-PCR
50028519	2	ChEMBL_562894 (CHEMBL1018831)	Activation of VDR in human THP1 cells assessed as increase in cathelicidin antimicrobial peptide mRNA expression by RT-PCR
50026350	2	ChEMBL_564483 (CHEMBL955215)	Inhibition of BChE from rat serum by Ellmans method
50028377	1	ChEMBL_564575 (CHEMBL964015)	Antagonist activity at 5HT3 receptor in hybrid NG108-15 cells assessed as inhibition of 5HT-induced current by electrophysiology
50047712	5	ChEMBL_1587416 (CHEMBL3824709)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr
50028462	1	ChEMBL_501555 (CHEMBL986822)	Inhibition of LPS-induced COX2 activity
50028462	3	ChEMBL_501262 (CHEMBL976164)	Inhibition of COX2 in mouse peritoneal macrophages
50028462	4	ChEMBL_501261 (CHEMBL976163)	Inhibition of COX1 in mouse peritoneal macrophages
50027830	1	ChEMBL_544783 (CHEMBL1011099)	Inhibition of Pseudomonas aeruginosa recombinant arylsulfatase A expressed in Escherichia coli
50028699	1	ChEMBL_499878 (CHEMBL976210)	Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR
50028790	1	ChEMBL_519880 (CHEMBL961245)	Binding affinity to TTL by surface plasmon resonance
50030259	1	ChEMBL_545142 (CHEMBL1018084)	Inhibition of DNA polymerase alpha from human KB3 cells
50030259	2	ChEMBL_545143 (CHEMBL1018085)	Inhibition of DNA polymerase beta from human KB3 cells
50030260	1	ChEMBL_545155 (CHEMBL1018097)	Inhibition of calmodulin-dependent phosphodiesterase
50047712	6	ChEMBL_1587510 (CHEMBL3825319)	Inhibition of 6x-His-tagged human Src kinase domain (T250 to L536 residues) expressed in Sf9 cells incubated for 2 hrs in presence of biotinylated cdc2 peptide substrate by homogenous TR-FRET assay
50047713	1	ChEMBL_1587515 (CHEMBL3825324)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50047713	2	ChEMBL_1587514 (CHEMBL3825323)	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50047713	3	ChEMBL_1587513 (CHEMBL3825322)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50047713	4	ChEMBL_1587512 (CHEMBL3825321)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50047713	5	ChEMBL_1587516 (CHEMBL3825325)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50030261	1	ChEMBL_570959 (CHEMBL1034478)	Inhibition of human GSK3-beta
50047713	6	ChEMBL_1587517 (CHEMBL3825326)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50030262	1	ChEMBL_571604 (CHEMBL1029458)	Inhibition of Src
50030262	2	ChEMBL_571606 (CHEMBL1029460)	Inhibition of EGFR
50030263	1	ChEMBL_571611 (CHEMBL1029465)	Inhibition of Kv1.3 potassium channel expressed in mouse L929 cells by whole cell patch clamp
50030264	1	ChEMBL_571846 (CHEMBL1034714)	Inhibition of HDAC2 in human HeLa cells
50030265	1	ChEMBL_572140 (CHEMBL1024282)	Inhibition of human tissue factor/factor 7a
50030265	2	ChEMBL_572139 (CHEMBL1023377)	Inhibition of human factor 2a by spectrophotometry
50030265	3	ChEMBL_572141 (CHEMBL1027710)	Inhibition of human factor 10a by spectrometry
50030266	1	ChEMBL_572154 (CHEMBL1028510)	Activation of ryanodine receptor 1 in mouse C2C12 cells assessed as induction of calcium mobilization
50030266	2	ChEMBL_572153 (CHEMBL1028509)	Activation of Drosophila melanogaster ryanodine receptor assessed as induction of calcium mobilization
50030266	3	ChEMBL_572155 (CHEMBL1028511)	Activation of ryanodine receptor 2 in rat PC12 cells assessed as induction of calcium mobilization
50030267	1	ChEMBL_572202 (CHEMBL1029373)	Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after 6 hrs by Dual-light chemiluminescent assay
50047714	1	ChEMBL_1587701 (CHEMBL3825881)	Inhibition of recombinant human CYP1A2 by P450-Glo luminescence assay
50047714	2	ChEMBL_1587702 (CHEMBL3825882)	Inhibition of recombinant human CYP2C9 by P450-Glo luminescence assay
50047714	3	ChEMBL_1587703 (CHEMBL3825883)	Inhibition of recombinant human CYP2D6 by P450-Glo luminescence assay
50047714	4	ChEMBL_1587668 (CHEMBL3825782)	Agonist activity at human CAR3 expressed in African green monkey COS-1 cells cotransfected with RXRalpha after 24 hrs by CYP2B6-luciferase reporter gene assay
50047714	5	ChEMBL_1587674 (CHEMBL3825788)	Agonist activity at VDR expressed in human HuH7 cells after 24 hrs by pDR3-luciferase reporter gene assay
50047714	6	ChEMBL_1587673 (CHEMBL3825787)	Agonist activity at AHR expressed in human HepG2 cells after 24 hrs by pXRE-luciferase reporter gene assay
50047714	7	ChEMBL_1587672 (CHEMBL3825786)	Agonist activity at PXR expressed in human HepG2 cells after 24 hrs by p3A4-luciferase reporter gene assay
50047714	8	ChEMBL_1587671 (CHEMBL3825785)	Agonist activity at CAR LBD (108 to 348 residues) expressed in human HepG2 cells assessed as receptor binding to PGC1alpha by lanthascreenTR-FRET coactivator assay
50047714	9	ChEMBL_1587699 (CHEMBL3825879)	Inhibition of recombinant human CYP3A4 by P450-Glo luminescence assay
50047714	10	ChEMBL_1587700 (CHEMBL3825880)	Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assay
50047715	1	ChEMBL_1587704 (CHEMBL3825884)	Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting
50047715	2	ChEMBL_1587705 (CHEMBL3825885)	Displacement of [3H]diprenorphine from rat DOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting
50047715	3	ChEMBL_1587706 (CHEMBL3825886)	Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50030269	1	ChEMBL_572850 (CHEMBL1033526)	Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21
50047715	4	ChEMBL_1587710 (CHEMBL3825890)	Agonist activity at rat MOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay
50030270	1	ChEMBL_572859 (CHEMBL1033535)	Inhibition of equine serum BuChE by Ellman's method
50030270	2	ChEMBL_572858 (CHEMBL1033534)	Inhibition of electric eel AChE by Ellman's method
50030270	3	ChEMBL_572861 (CHEMBL1034421)	Inhibition of electric eel AChE by LB plot
50030271	1	ChEMBL_570542 (CHEMBL1026914)	Binding affinity to MCH1 receptor
50030272	1	ChEMBL_570545 (CHEMBL1027714)	Agonist activity against rat EP2 receptor expressed in HEK293 cells assessed as stimulation of cAMP release
50030272	2	ChEMBL_570558 (CHEMBL1027727)	Agonist activity against rat EP4 receptor expressed in HEK293 cells assessed as stimulation of cAMP release
50030272	3	ChEMBL_570543 (CHEMBL1026915)	Inhibition of rat EP2 receptor expressed in HEK293 cells
50030272	4	ChEMBL_570544 (CHEMBL1027713)	Inhibition of rat EP4 receptor expressed in HEK293 cells
50030273	1	ChEMBL_570590 (CHEMBL1030214)	Inhibition of human ALK5 kinase expressed in Sf9 cells
50030273	2	ChEMBL_570591 (CHEMBL1030215)	Inhibition of GST-fused p38alpha
50030273	3	ChEMBL_570592 (CHEMBL1030216)	Inhibition of TGF-beta-induced ALK5 in human HepG2 cells by luciferase assay
50047715	5	ChEMBL_1587711 (CHEMBL3825891)	Agonist activity at rat DOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay
50047715	6	ChEMBL_1587712 (CHEMBL3825892)	Agonist activity at human KOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS assay
50047716	1	ChEMBL_1587866 (CHEMBL3826395)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047716	2	ChEMBL_1587867 (CHEMBL3826396)	Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047716	3	ChEMBL_1587868 (CHEMBL3826397)	Inhibition of c-kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047716	4	ChEMBL_1587869 (CHEMBL3826530)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047716	5	ChEMBL_1587870 (CHEMBL3826531)	Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047716	6	ChEMBL_1587871 (CHEMBL3826532)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50047717	1	ChEMBL_1587882 (CHEMBL3826543)	Inhibition of ATGL (unknown origin) overexpressed in Escherichia coli XL-1 cells using [9,10-3H(N)]triolein as substrate incubated for 60 mins by liquid scintillation counting method
50047718	1	ChEMBL_1587888 (CHEMBL3826549)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate assessed as inhibition of uric acid formation after 30 mins by spectrophotometric method
50047719	1	ChEMBL_1588017 (CHEMBL3824952)	Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced calcium mobilization
50047719	2	ChEMBL_1588013 (CHEMBL3824948)	Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on receptor internalization
50047719	3	ChEMBL_1588012 (CHEMBL3824947)	Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on beta-arrestin recruitment
50047719	4	ChEMBL_1588015 (CHEMBL3824950)	Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced calcium mobilization
50030275	3	ChEMBL_570979 (CHEMBL1023476)	Inhibition human ERG expressed in HEK293 cells assessed as blockade of membrane current by patch clamp method
50030276	1	ChEMBL_571029 (CHEMBL1024385)	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase by spectrophotometry-based mixed inhibition type assay
50030276	2	ChEMBL_571028 (CHEMBL1024384)	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase by spectrophotometry-based non competitive inhibition type assay
50030276	3	ChEMBL_571021 (CHEMBL1024377)	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase by spectrophotometry
50030276	4	ChEMBL_571030 (CHEMBL1024386)	Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli JM109 cells
50030276	5	ChEMBL_571031 (CHEMBL1024387)	Inhibition of Trypanosoma cruzi trypanothione reductase
50030277	1	ChEMBL_571203 (CHEMBL1031962)	Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry
50030278	1	ChEMBL_571402 (CHEMBL1029442)	Inhibition of COX2
50047720	1	ChEMBL_1588031 (CHEMBL3824966)	Binding affinity to MELK (unknown origin) expressed in Escherichia coli by SPR analysis
50047720	2	ChEMBL_1588030 (CHEMBL3824965)	Inhibition of full-length MELK (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence of 20 uM ATP measured after 20 mins by time-resolved fluorescence assay
50030278	3	ChEMBL_571404 (CHEMBL1029444)	Competitive inhibition of mouse COX2 under reduced substrate concentration by TLC
50030278	4	ChEMBL_571405 (CHEMBL1029445)	Competitive inhibition of ovine COX1 under reduced substrate concentration by TLC
50030279	1	ChEMBL_571408 (CHEMBL1029448)	Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline
50047720	3	ChEMBL_1588029 (CHEMBL3824964)	Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence of 2 mM ATP measured after 20 mins by time-resolved fluorescence assay
50030280	1	ChEMBL_571435 (CHEMBL1032746)	Displacement of [3H]WIN-35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting
50030280	2	ChEMBL_571436 (CHEMBL1032747)	Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting
50030281	1	ChEMBL_571442 (CHEMBL1032753)	Displacement of [3H]SMT from human histamine H3 receptor
50030282	1	ChEMBL_571445 (CHEMBL1032756)	Agonist activity at human mGluR5 transiently transfected in BHK cells assessed as potentiation of L-glutamate-induced calcium flux by FLIPR assay
50030282	2	ChEMBL_571451 (CHEMBL1032762)	Displacement of [3H]MPEP from human recombinant mGluR5 expressed in BHK cells at by radioligand binding assay
50030283	1	ChEMBL_571467 (CHEMBL1033558)	Inhibition of recombinant JAK2-Val617Phe kinase activity after 30 mins by luminometry
50047720	4	ChEMBL_1588028 (CHEMBL3824963)	Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence of 20 uM ATP measured after 20 mins by time-resolved fluorescence assay
50030285	1	ChEMBL_571642 (CHEMBL1031297)	Inhibition of Src
50030285	2	ChEMBL_571643 (CHEMBL1031298)	Inhibition of GSK3-beta
50030285	3	ChEMBL_571639 (CHEMBL1031294)	Inhibition of Aurora-A by coupled assay
50047720	5	ChEMBL_1588027 (CHEMBL3824962)	Inhibition of MAP4K4 (unknown origin)
50047720	6	ChEMBL_1588026 (CHEMBL3824961)	Inhibition of PDGFR-alpha (unknown origin)
50047720	7	ChEMBL_1588025 (CHEMBL3824960)	Inhibition of FLT3 (unknown origin)
50047720	8	ChEMBL_1588043 (CHEMBL3824978)	Inhibition of partial-length human FLT3 ITD mutant expressed in bacterial expression system by KINOMEscan assay
50047720	9	ChEMBL_1588044 (CHEMBL3824979)	Inhibition of partial-length human wild type HASPIN expressed in mammalian expression system by KINOMEscan assay
50047720	10	ChEMBL_1588045 (CHEMBL3824980)	Inhibition of partial-length human KIT A829P mutant expressed in mammalian expression system by KINOMEscan assay
50047720	11	ChEMBL_1588046 (CHEMBL3824981)	Inhibition of partial-length human wild type PDGFR-alpha expressed in mammalian expression system by KINOMEscan assay
50047721	1	ChEMBL_1588142 (CHEMBL3825518)	Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase domain (956 to 1390 residues) phosphorylation expressed in baculovirus expression system using Tyr peptide-6 substrate incubated for 1 hr in presence of ATP by Z-Lyte assay
50030285	5	ChEMBL_571641 (CHEMBL1031296)	Inhibition of Aurora-C
50030286	1	ChEMBL_571661 (CHEMBL1031316)	Displacement of Atto700-HA from Bordetella / Alcaligenes strain FB188 HDAH by fluorescence anisotropy
50030286	2	ChEMBL_571663 (CHEMBL1031318)	Inhibition of Bordetella / Alcaligenes strain FB188 HDAH by fluorogenic enzyme assay
50030286	3	ChEMBL_571664 (CHEMBL1031319)	Binding affinity to Bordetella / Alcaligenes strain FB188 HDAC by FRET assay
50030286	4	ChEMBL_571662 (CHEMBL1031317)	Inhibition of Bordetella / Alcaligenes strain FB188 HDAH by fluorimetric assay
50030286	5	ChEMBL_571668 (CHEMBL1032116)	Inhibition of HDAC1 by fluorogenic enzyme assay
50030286	6	ChEMBL_571669 (CHEMBL1032117)	Inhibition of HDAC1 in human NIH3T3 cells by radiometric histone deacetylation assay
50030287	1	ChEMBL_571685 (CHEMBL1032133)	Inhibition of SphK1
50030287	2	ChEMBL_571686 (CHEMBL1032134)	Inhibition of SphK2
50030288	1	ChEMBL_571867 (CHEMBL1034735)	Inactivation of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7
50030288	2	ChEMBL_571868 (CHEMBL1034736)	Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7
50030288	3	ChEMBL_571690 (CHEMBL1032138)	Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5
50030288	4	ChEMBL_571879 (CHEMBL1034749)	Competitive inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5
50030289	1	ChEMBL_571881 (CHEMBL1034751)	Activity at rat mGluR4 receptor expressed in HEK293 cells assessed as effect on thallium flux
50030289	2	ChEMBL_571886 (CHEMBL1034756)	Activity at human mGluR4 receptor expressed in CHO cells assessed as effect on calcium mobilization
50030290	1	ChEMBL_571916 (CHEMBL1035565)	Inhibition of human kinesin spindle protein by endpoint assay
50030290	2	ChEMBL_571922 (CHEMBL1035571)	Inhibition of Kif3B
50030290	3	ChEMBL_571923 (CHEMBL1035572)	Inhibition of nKHC
50030290	4	ChEMBL_571917 (CHEMBL1035566)	Inhibition of CYP3A4 coincubated with compound
50030290	5	ChEMBL_571918 (CHEMBL1035567)	Inhibition of CYP2D6 coincubated with compound
50030290	6	ChEMBL_571919 (CHEMBL1035568)	Inhibition of CYP2C9 coincubated with compound
50030290	7	ChEMBL_571925 (CHEMBL1035574)	Inhibition of CYP3A4 preincubated with compound
50030290	8	ChEMBL_571926 (CHEMBL1035575)	Inhibition of CYP2D6 preincubated with compound
50030290	9	ChEMBL_571927 (CHEMBL1035576)	Inhibition of CYP2C9 preincubated with compound
50030291	1	ChEMBL_572058 (CHEMBL1024577)	Inhibition of Nipah virus glycoprotein G/F-mediated cell-cell fusion expressed in african green monkey Vero cells after 24 hrs relative to untreated control
50030292	1	ChEMBL_572237 (CHEMBL1031015)	Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine
50047722	1	ChEBML_1588253	Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid assay
50047722	3	ChEMBL_1588253 (CHEMBL3825918)	Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid assay
50047722	4	ChEMBL_1588251 (CHEMBL3825916)	Agonist activity at GST-tagged FXR LBD (187 to 472 residues) (unknown origin) assessed as FXR interaction with b-CPSSHSSLTERHKILHRLLQEGSPS-COOH by FRET assay
50047722	2	ChEBML_1588253	Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid assay
50030295	1	ChEMBL_572371 (CHEMBL1035272)	Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay
50030295	2	ChEMBL_572369 (CHEMBL1035270)	Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay
50030296	1	ChEMBL_572380 (CHEMBL1035281)	Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA
50030297	1	ChEMBL_572392 (CHEMBL1035293)	Inhibition of human PPARalpha receptor by scintillation proximity assay
50030297	3	ChEMBL_572401 (CHEMBL1036137)	Inhibition of CYP2C19
50030297	5	ChEMBL_572402 (CHEMBL1036138)	Inhibition of CYP1A2
50030297	6	ChEMBL_572403 (CHEMBL1036139)	Inhibition of CYP2D6
50030297	7	ChEMBL_572404 (CHEMBL1036140)	Inhibition of CYP2C9
50030297	8	ChEMBL_572395 (CHEMBL1036131)	Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation assay
50030297	9	ChEMBL_572400 (CHEMBL1036136)	Agonist activity at dog PPARalpha receptor
50030297	11	ChEMBL_572391 (CHEMBL1035292)	Inhibition of human PPARgamma receptor by scintillation proximity assay
50047723	1	ChEMBL_1588366 (CHEMBL3826277)	Inhibition of PDE4B derived from human monocytes using [3H]-cAMP as substrate after 30 mins
50030298	1	ChEMBL_572590 (CHEMBL1025206)	Inhibition of CYP1A2 in human liver microsomes assessed as inhibition of acetophenacetin odeethylation
50030298	2	ChEMBL_572591 (CHEMBL1025207)	Inhibition of CYP2C8 in human liver microsomes assessed as inhibition of paclitaxel 6-alpha-hydroxylation
50030298	3	ChEMBL_572592 (CHEMBL1025208)	Inhibition of CYP2C9 in human liver microsomes assessed as inhibition of diclofenac 4'-hydroxylation
50030298	4	ChEMBL_572593 (CHEMBL1025209)	Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of dextrometorphan O-demethylation
50030298	5	ChEMBL_572594 (CHEMBL1025210)	Inhibition of CYP3A4 in human liver microsomes assessed as inhibition of testosterone 6-beta-hydroxylation
50030298	6	ChEMBL_572595 (CHEMBL1025211)	Displacement of radiolabeled MK-499 from human ERG expressed in HEK293 cells coexpressing IKr channel protein
50030298	7	ChEMBL_572569 (CHEMBL1025185)	Displacement of [125I]Tyr14-nociceptin from human cloned ORL1 receptor expressed in CHO cells
50030298	8	ChEMBL_572570 (CHEMBL1025186)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells
50030298	9	ChEMBL_572571 (CHEMBL1025187)	Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells
50030299	1	ChEMBL_572601 (CHEMBL1026025)	Inhibition of exogenously transfected human Gli1-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene assay
50030299	2	ChEMBL_572624 (CHEMBL1026048)	Inhibition of exogenously transfected human Gli2 delta-N-mediated transcriptional activity in mouse C3H10T1/2 cells after 24 hrs by luciferase reporter gene assay
50030300	1	ChEMBL_572639 (CHEMBL1026063)	Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization
50030300	2	ChEMBL_572637 (CHEMBL1026061)	Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells
50030300	3	ChEMBL_572638 (CHEMBL1026062)	Displacement of [3H]bradykinin from guinea pig B2 receptor
50030300	4	ChEMBL_572632 (CHEMBL1026056)	Displacement of [3H]bradykinin from wild-type B2 receptor
50030300	5	ChEMBL_572636 (CHEMBL1026060)	Inhibition of human CYP3A4 by microtiter plate assay
50030300	6	ChEMBL_572631 (CHEMBL1026055)	Inhibition of human CYP2C19 by microtiter plate assay
50047724	1	ChEMBL_1588370 (CHEMBL3826281)	Inhibition of PRC2 EZH2 sub unit (unknown origin) assessed as inhibition of SAM-mediated methyl transfer process preincubated for 15 mins followed by addition of H3K27me and [3H]SAM as substrate measured after 90 mins by radioactive methylation assay
50047725	1	ChEMBL_1588476 (CHEMBL3826759)	Displacement of [3H]U69,593 from kappa-type opioid receptor in guniea pig brain membranes incubated for 2 hrs
50047725	2	ChEMBL_1588475 (CHEMBL3826758)	Displacement of [3H]DSLET from delta-type opioid receptor in rat brain membranes incubated for 2 hrs
50047725	3	ChEMBL_1588474 (CHEMBL3826757)	Displacement of [3H]DAMGO from mu-type opioid receptor in rat brain membranes incubated for 2 hrs
50047725	4	ChEMBL_1588482 (CHEMBL3826765)	Agonist activity at delta opioid receptor in albino mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50047725	5	ChEMBL_1588473 (CHEMBL3826756)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50030302	1	ChEMBL_572726 (CHEMBL1030150)	Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting
50030302	2	ChEMBL_572729 (CHEMBL1030153)	Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition of CRF-stimulated cAMP production by HTRF method
50030303	1	ChEMBL_572799 (CHEMBL1031880)	Inhibition of Lck
50030303	2	ChEMBL_572800 (CHEMBL1031881)	Inhibition of human Src kinase by TR-FRET assay
50030303	3	ChEMBL_572801 (CHEMBL1031882)	Inhibition of wild type human Abl kinase by TR-FRET assay
50030304	1	ChEMBL_572880 (CHEMBL1034440)	Inhibition of human erythrocytes carbonic anhydrase 1 by CO2 hydration assay
50030304	2	ChEMBL_572881 (CHEMBL1034441)	Inhibition of human erythrocytes carbonic anhydrase 2 by CO2 hydration assay
50030304	3	ChEMBL_572882 (CHEMBL1034442)	Binding affinity to human carbonic anhydrase 2
50047726	1	ChEMBL_1588559 (CHEMBL3824787)	Inhibition of human CK2alpha (2 to 391 residues) using [33P]-ATP by scintillation counting based radioactive filter binding assay
50047727	1	ChEMBL_1588585 (CHEMBL3824993)	Displacement of [3H]-resiniferatoxin from human TRPV1 expressed in CHO cells incubated for 60 mins by scintillation counting analysis
50047727	2	ChEMBL_1588587 (CHEMBL3824995)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 5 mins by liquid scintillation counting analysis
50047727	3	ChEMBL_1588588 (CHEMBL3824996)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake preincubated for 30 mins prior to capsaicin challenge measured after 5 mins by liquid scintillation counting analysis
50047727	4	ChEMBL_1588589 (CHEMBL3824997)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake preincubated for 15 mins prior to capsaicin challenge measured after 5 mins by liquid scintillation counting analysis
50030306	1	ChEMBL_572934 (CHEMBL1036186)	Binding affinity to human ERG channel
50030306	2	ChEMBL_572925 (CHEMBL1036177)	Binding affinity to muscarinic M1 receptor
50030306	3	ChEMBL_572927 (CHEMBL1036179)	Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamine H3 receptor
50030306	4	ChEMBL_572926 (CHEMBL1036178)	Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 receptor expressed in C6 cells
50030307	1	ChEMBL_570655 (CHEMBL1033595)	Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method
50030308	1	ChEMBL_571059 (CHEMBL1027776)	Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells
50030308	2	ChEMBL_570900 (CHEMBL1031097)	Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells
50030308	3	ChEMBL_570886 (CHEMBL1031083)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells
50030308	4	ChEMBL_570885 (CHEMBL1031082)	Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells
50030308	5	ChEMBL_570891 (CHEMBL1031088)	Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells
50030308	6	ChEMBL_570887 (CHEMBL1031084)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells
50030309	2	ChEMBL_571082 (CHEMBL813182)	Inhibition of MMP2
50030309	3	ChEMBL_571083 (CHEMBL812784)	Inhibition of MMP3
50030309	4	ChEMBL_571084 (CHEMBL812785)	Inhibition of MMP8
50047728	1	ChEMBL_1589061 (CHEMBL3824459)	Inhibition of recombinant human GST-tagged PAK1 kinase domain expressed in baculovirus expression system assessed as suppression of phosphorylation of coumarin/fluorescein-labelled FRET peptide substrate at Ser/Thr19 residues preincubated with substrate for 10 mins followed by enzyme addition measured after 60 mins by Z-Lyte assay
50030309	6	ChEMBL_571091 (CHEMBL816917)	Inhibition of MMP13-mediated collagen degradation by SDS-PAGE
50047728	2	ChEMBL_1587139 (CHEMBL3825739)	Inhibition of human recombinant GST-tagged PAK4 kinase domain (295 to 591 residues) expressed in baculovirus expression system assessed as suppression of phosphorylation of coumarin/fluorescein-labelled FRET peptide substrate at Ser/Thr19 residues preincubated with substrate for 10 mins followed by enzyme addition measured after 60 mins by Z-Lyte assay
50047729	1	ChEMBL_1587151 (CHEMBL3825751)	Inhibition of human COX1 using arachidonic acid assessed as production of PGF2alpha after 5 mins by ELISA
50030309	8	ChEMBL_571088 (CHEMBL816872)	Inhibition of human recombinant MMP16
50030309	9	ChEMBL_571089 (CHEMBL816915)	Inhibition of TACE
50030309	10	ChEMBL_571090 (CHEMBL816916)	Inhibition of MMP1-mediated collagen degradation by SDS-PAGE
50047729	2	ChEMBL_1587141 (CHEMBL3825741)	Inhibition of human COX2 using arachidonic acid assessed as production of PGF2alpha after 5 mins by ELISA
50047730	1	ChEMBL_1587252 (CHEMBL3826068)	Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting
50047730	2	ChEMBL_1587255 (CHEMBL3826071)	Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting
50047731	1	ChEMBL_1587357 (CHEMBL3826522)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50030314	1	ChEMBL_571967 (CHEMBL1036470)	Binding affinity to FLAP
50030314	2	ChEMBL_571969 (CHEMBL1036472)	Inhibition of mPGES1 in IL1-beta treated human A549 cell microsomal membrane assessed as blockade of PGH2 to PGE2 conversion after 1 min
50030314	3	ChEMBL_571973 (CHEMBL1036476)	Inhibition of mPGES1 in IL1-beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level using RP-HPLC method
50030315	1	ChEMBL_577088 (CHEMBL1031978)	Inhibition of rat DHFR
50030315	2	ChEMBL_577084 (CHEMBL1031974)	Inhibition of human recombinant DHFR
50030316	1	ChEMBL_574903 (CHEMBL1023600)	Inhibition of human recombinant glutathione reductase at pH 6.9
50030316	2	ChEMBL_575050 (CHEMBL1031235)	Inhibition of human recombinant TrxR1 at pH 7.4
50030316	3	ChEMBL_575051 (CHEMBL1031236)	Inhibition of pig recombinant dihydrolipoamide dehydrogenase at pH 7.3
50030316	4	ChEMBL_575054 (CHEMBL1033744)	Inhibition of Plasmodium falciparum recombinant dihydrolipoamide dehydrogenase at pH 7.3
50030317	1	ChEMBL_573895 (CHEMBL1027003)	Binding affinity to human pancreatic recombinant 1B PLA2 expressed in Escherichia coli by resonance energy transfer assay in presence of trimethyl-ammonium-diphenylhexatriene
50047732	1	ChEMBL_1587360 (CHEMBL3826525)	Allosteric inhibition of recombinant human N-terminal His6-tagged ABL (27-end residues) T315I mutant expressed in baculovirus infected sf21 cells using Abl-tide as substrate incubated for 10 mins in presence of [gamma32P]ATP by scintillation counting method
50047733	1	ChEMBL_1587590 (CHEMBL3825575)	Agonist activity at human GPR119 expressed in Flp-In-T-Rex-HEK293 cells after 30 mins by cAMP accumulation assay
50030318	3	ChEMBL_574524 (CHEMBL1030363)	Inhibition of human cathepsin D
50030319	1	ChEMBL_574908 (CHEMBL1023605)	Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-capped 5'UTRbetaglob-LUC mRNA translation by luciferase-based luminometry
50030319	2	ChEMBL_574909 (CHEMBL1023606)	Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of m7,3'-O-GpppG-capped 5'UTRbetaglob-LUC mRNA translation treated 60 mins before mRNA addition by luciferase-based luminometry
50030319	3	ChEMBL_574910 (CHEMBL1023607)	Inhibition of eukaryotic initiation factor 4E in micrococcal nuclease-pretreated rabbit reticulocyte lysate assessed as inhibition of rabbit beta-globulin mRNA translation by [3H]leucine incorporation assay
50047734	1	ChEMBL_1587749 (CHEMBL3825990)	Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay
50047734	2	ChEMBL_1587750 (CHEMBL3825991)	Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay
50047735	1	ChEMBL_1587760 (CHEMBL3826001)	Inhibition of [3H]PDBu binding to PKCdelta C1B domain in CD-1 mouse brain cytosol incubated for 30 mins
50047736	1	ChEMBL_1587762 (CHEMBL3826003)	Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressing His-tagged TAB1 using myelin basic protein as substrate incubated for 30 mins in presence of [33P]ATP by microbeta scintillation counting method
50047736	2	ChEMBL_1587771 (CHEMBL3826089)	Inhibition of FLT3 (unknown origin)
50047736	3	ChEMBL_1587893 (CHEMBL3826554)	Inhibition of full length TAK1 (unknown origin) fused with TAB1 using biotin-MKK6 as substrate by AlphaScreen assay
50047736	4	ChEMBL_1587894 (CHEMBL3826555)	Inhibition of human recombinant TAK1 fused with TAB1 using MKK6 as substrate in presence of gamma-[33P]ATP
50047736	5	ChEMBL_1587895 (CHEMBL3826556)	Inhibition of TAK1 (unknown origin)
50047736	6	ChEMBL_1587896 (CHEMBL3826557)	Inhibition of recombinant FLAG-tagged TAK1 kinase domain (unknown origin) expressed in baculovirus expression system coexpressing TAB using biotin-labeled MKK6kd substrate incubated for 1 hr by AlphaScreen assay
50047736	7	ChEMBL_1587776 (CHEMBL3826094)	Inhibition of recombinant TAK1 (unknown origin)
50047737	1	ChEMBL_1587898 (CHEMBL3826559)	Inhibition of electric eel ACHE preincubated for 6 mins followed by addition of acetylcholine iodide as substrate by Ellman's method
50047737	2	ChEMBL_1587899 (CHEMBL3826560)	Inhibition of equine BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method
50047737	3	ChEMBL_1587903 (CHEMBL3826564)	Inhibition of human erythrocyte ACHE preincubated for 6 mins followed by addition of acetylcholine iodide as substrate by Ellman's method
50047737	4	ChEMBL_1587904 (CHEMBL3826565)	Inhibition of human serum BCHE preincubated for 6 mins followed by addition of S-butyrylcholine iodide as substrate by Ellman's method
50047738	1	ChEMBL_1589563 (CHEMBL3829238)	Displacement of [3H]ketanserin from Sprague-Dawley rat cerebral cortex 5-HT2A receptor after 30 mins by liquid scintillation counting analysis
50047738	2	ChEMBL_1589562 (CHEMBL3829237)	Inhibition of recombinant SET7/9 (unknown origin) using biotinylated histone H3-derived peptide/SAM as substrate after 60 mins by AlphaLISA assay
50047739	1	ChEMBL_1589689 (CHEMBL3829844)	Binding affinity to VX-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellman method
50047739	2	ChEMBL_1589688 (CHEMBL3829843)	Binding affinity to sarin-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellman method
50047739	3	ChEMBL_1589694 (CHEMBL3829849)	Inhibition of hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellman method
50047740	1	ChEMBL_1589708 (CHEMBL3829863)	Antagonist activity at RXRalpha (unknown origin) expressed in HEK293T cells assessed as inhibition of receptor transactivation after 12 hrs in presence of 9-cis-RA by luciferase reporter gene assay
50047740	2	ChEMBL_1589711 (CHEMBL3829866)	Binding affinity to RXRalpha-LBD (unknown origin) measured up to 300 sec by surface plasma resonance method
50047741	1	ChEMBL_1589716 (CHEMBL3829991)	Activation of PPARbeta-LBD (unknown origin) assessed as fluorescein-labeled coactivator C33 recruitment by TR-FRET assay
50047741	2	ChEMBL_1589717 (CHEMBL3829992)	Binding affinity to recombinant PPARbeta-LBD (254 to 441 residues) (unknown origin) expressed in Escherichia coli Rosetta2 cells by isothermal titration calorimetry
50047742	1	ChEMBL_1589851 (CHEMBL3830608)	Inhibition of human recombinant MMP2 by colorimetric analysis
50030321	1	ChEMBL_575206 (CHEMBL1024553)	Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells
50030321	2	ChEMBL_575205 (CHEMBL1024552)	Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells
50030321	3	ChEMBL_575207 (CHEMBL1024554)	Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells
50030321	4	ChEMBL_575209 (CHEMBL1024556)	Inhibition of human ERG channel
50030321	5	ChEMBL_575311 (CHEMBL1023618)	Inhibition of CYP2D6
50030322	1	ChEMBL_575324 (CHEMBL1024480)	Inhibition of Bacillus anthracis lethal factor assessed as cleavage of MAPKK by fluorescence peptide cleavage assay
50047742	2	ChEMBL_1589853 (CHEMBL3830610)	Inhibition of human recombinant MMP1 by colorimetric analysis
50030325	1	ChEMBL_575526 (CHEMBL1033778)	Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation
50030325	2	ChEMBL_575534 (CHEMBL1034665)	Inhibition of PDK1
50030325	3	ChEMBL_575535 (CHEMBL1034666)	Inhibition of mTOR
50030325	4	ChEMBL_575536 (CHEMBL1036424)	Inhibition of Tpl2
50030325	5	ChEMBL_575537 (CHEMBL1036425)	Inhibition of BTK
50030325	6	ChEMBL_575538 (CHEMBL1035535)	Inhibition of AKT
50030325	7	ChEMBL_575539 (CHEMBL1035536)	Inhibition of CDK4
50030325	8	ChEMBL_575540 (CHEMBL1035537)	Inhibition of LCK
50030325	9	ChEMBL_575541 (CHEMBL1035538)	Inhibition of LYN
50030325	10	ChEMBL_575542 (CHEMBL1035539)	Inhibition of KDR
50030325	11	ChEMBL_575543 (CHEMBL1035540)	Inhibition of IGFR1
50030325	12	ChEMBL_575544 (CHEMBL1035541)	Inhibition of PI3Kalpha
50030325	13	ChEMBL_575545 (CHEMBL1035542)	Inhibition of SRC
50030326	1	ChEMBL_575546 (CHEMBL1035543)	Activation of glucokinase
50030327	1	ChEMBL_575562 (CHEMBL1036405)	Inhibition of rat intestinal alpha-glucosidase
50030327	2	ChEMBL_575564 (CHEMBL1036407)	Inhibition of rat liver glycogen phosphatase
50030327	3	ChEMBL_575563 (CHEMBL1036406)	Inhibition of rat liver glucose-6-phosphatase
50030328	1	ChEMBL_575565 (CHEMBL1036408)	Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells
50030328	2	ChEMBL_575566 (CHEMBL1036409)	Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells
50030329	1	ChEMBL_575574 (CHEMBL1036417)	Binding affinity to adenosine A2B receptor
50030329	2	ChEMBL_575575 (CHEMBL1036418)	Binding affinity to adenosine A3 receptor
50030329	3	ChEMBL_575569 (CHEMBL1036412)	Displacement of [3H]CGS21680 from human adenosine A2A receptor
50030329	4	ChEMBL_575570 (CHEMBL1036413)	Displacement of [3H]CGS21680 from human adenosine A1 receptor
50030331	1	ChEMBL_575588 (CHEMBL1036433)	Inhibition of human recombinant HDAC1
50030331	2	ChEMBL_575589 (CHEMBL1036434)	Inhibition of human recombinant HDAC3
50030332	2	ChEMBL_575596 (CHEMBL1036441)	Inhibition of recombinant IGFR1
50030332	4	ChEMBL_575597 (CHEMBL1036442)	Inhibition of recombinant JAK2
50030332	5	ChEMBL_575598 (CHEMBL1036443)	Inhibition of recombinant MET
50030333	1	ChEMBL_575600 (CHEMBL1036445)	Inhibition of human recombinant DNMT3b2
50030333	2	ChEMBL_575599 (CHEMBL1036444)	Inhibition of human recombinant DNMT1
50030333	3	ChEMBL_575602 (CHEMBL1036447)	Inhibition of human recombinant DNMT3b2 at 45 uM
50030334	1	ChEMBL_575787 (CHEMBL950887)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50030334	2	ChEMBL_575789 (CHEMBL939895)	Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for 15 mins by CO2 hydration stopped-flow assay
50030334	3	ChEMBL_575786 (CHEMBL950886)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50030335	1	ChEMBL_575799 (CHEMBL1057723)	Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay
50047742	3	ChEMBL_1589857 (CHEMBL3830614)	Inhibition of human recombinant MMP8 by colorimetric analysis
50047742	4	ChEMBL_1589854 (CHEMBL3830611)	Inhibition of human recombinant MMP9 by colorimetric analysis
50047742	5	ChEMBL_1589855 (CHEMBL3830612)	Inhibition of human recombinant MMP12 by colorimetric analysis
50030337	1	ChEMBL_575806 (CHEMBL1024507)	Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting
50030337	2	ChEMBL_575807 (CHEMBL1024508)	Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting
50030337	3	ChEMBL_575808 (CHEMBL1024509)	Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting
50030337	4	ChEMBL_575814 (CHEMBL1024515)	Binding affinity to rat adenosine A3 receptor
50030338	2	ChEMBL_575817 (CHEMBL1025324)	Inhibition of IKK2-catalyzed phosphorylation of GST-tagged IkappaBalpha fusion protein by fluorescence polarization assay
50030339	1	ChEMBL_575837 (CHEMBL1025344)	Displacement of [3H]rosiglitazone from human PPARgamma receptor
50030339	2	ChEMBL_575840 (CHEMBL1025347)	Agonist activity at human PPARalpha by Gal4 transactivation assay
50030339	3	ChEMBL_575838 (CHEMBL1025345)	Agonist activity at human PPARgamma by Gal4 transactivation assay
50030340	1	ChEMBL_576007 (CHEMBL1023633)	Agonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release based reporter gene assay
50030340	2	ChEMBL_576008 (CHEMBL1023634)	Inhibition of CYP2C19
50030340	3	ChEMBL_575849 (CHEMBL1025356)	Binding affinity to progesterone receptor ligand binding domain by fluorimetric assay
50030342	1	ChEMBL_576022 (CHEMBL1023648)	Inhibition of human purine nucleoside phosphorylase
50030343	1	ChEMBL_576070 (CHEMBL1025396)	Inhibition of bovine xanthine oxidase
50030344	1	ChEMBL_576088 (CHEMBL1057729)	Binding affinity to full-length human estrogen receptor alpha
50030344	2	ChEMBL_576089 (CHEMBL1057730)	Binding affinity to full-length human estrogen receptor beta
50030345	1	ChEMBL_576091 (CHEMBL1057732)	Activity at rat NR1/NR2A receptor expressed in Xenopus oocytes assessed as inhibition of glycine-induced electrophysiological response
50047742	6	ChEMBL_1589875 (CHEMBL3830632)	Inhibition of human recombinant MMP2 using (Ac-PLG-[2-mercapto-4-85 methylpentanoyl]-LG-OC2H5) as substrate by microplate photometric analysis
50030346	1	ChEMBL_576266 (CHEMBL1027818)	Agonist activity at human LXRalpha ligand binding domain (205-448) expressed in human HuH7 cells co-transfected with Gal4-DBD by luciferase transactivation assay
50047742	7	ChEMBL_1589858 (CHEMBL3830615)	Inhibition of human recombinant MMP14 by colorimetric analysis
50047743	1	ChEMBL_1589882 (CHEMBL3830762)	Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay
50047743	2	ChEMBL_1589884 (CHEMBL3830764)	Direct binding to His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50047743	3	ChEMBL_1590015 (CHEMBL3828901)	Displacement of 1,8-ANS from His6-tagged FABP3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay
50047744	1	ChEMBL_1590190 (CHEMBL3829724)	Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047744	2	ChEMBL_1590189 (CHEMBL3829723)	Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50047745	1	ChEMBL_1590315 (CHEMBL3830354)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate measured after 5 mins by spectrofluorimetry
50047746	1	ChEMBL_1590325 (CHEMBL3830364)	Competitive inhibition of rat S1PL in presence of D(+)-erythro-sphinganine-1-phosphate measured after 15 mins by Dixon plot analysis
50047746	2	ChEMBL_1590337 (CHEMBL3830376)	Inhibition of human S1PL using RBM13 as substrate measured after 1 hr by fluorogenic assay
50047747	1	ChEMBL_1590348 (CHEMBL3830496)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity by spectrophotometric analysis
50030347	1	ChEMBL_576284 (CHEMBL1030286)	Inhibition of Serratia marcescens chitinase B
50030348	1	ChEMBL_576307 (CHEMBL1030309)	Inhibition of human recombinant 11beta-HSD2 expressed in Escherichia coli assessed as cortisol level after 60 mins by HTRF assay
50030348	2	ChEMBL_576303 (CHEMBL1030305)	Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as cortisol level after 150 mins by HTRF assay
50030348	3	ChEMBL_576302 (CHEMBL1030304)	Inhibition of human 11beta-HSD1
50030348	4	ChEMBL_576304 (CHEMBL1030306)	Inhibition of 11beta-HSD1 in mouse liver microsome
50030348	5	ChEMBL_576305 (CHEMBL1030307)	Inhibition of 11beta-HSD1 in rat liver microsome
50030349	1	ChEMBL_576549 (CHEMBL1032002)	Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay
50030351	1	ChEMBL_576759 (CHEMBL1032026)	Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293 cells
50030351	2	ChEMBL_576760 (CHEMBL1032027)	Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 cells
50030351	3	ChEMBL_576762 (CHEMBL1032029)	Activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50030351	4	ChEMBL_576764 (CHEMBL1032031)	Activity at human dopamine D3 receptor expressed in AtT cells assessed as stimulation of [35S]GTPgammaS binding
50030352	1	ChEMBL_576767 (CHEMBL1032034)	Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose
50030352	2	ChEMBL_576768 (CHEMBL1032035)	Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose
50047747	2	ChEMBL_1590349 (CHEMBL3830497)	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as diphenolase activity by spectrophotometric analysis
50030353	1	ChEMBL_576998 (CHEMBL1035435)	Inhibition of thrombin
50030353	2	ChEMBL_577000 (CHEMBL1036291)	Inhibition of factor7a
50030354	1	ChEMBL_577226 (CHEMBL1034533)	Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50030354	2	ChEMBL_577230 (CHEMBL1034537)	Inhibition of SRC2 binding to TRalpha receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50030355	1	ChEMBL_577245 (CHEMBL1035355)	Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry
50047748	1	ChEMBL_1590360 (CHEMBL3830508)	Displacement of [125I-Sar1-Ile8]Ang2 from human AT1 receptor expressed in HEK293 cell membrane incubated for 1 hr by gamma counting method
50047749	1	ChEMBL_1590361 (CHEMBL3830509)	Inhibition of jack bean urease using urea as substrate assessed as reduction in ammonia production after 30 mins by indophenol method
50047750	1	ChEBML_1590515	Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes
50047750	2	ChEBML_1590507	Displacement of [3H]NECA from recombinant rat adenosine receptor A3 expressed in CHO cell membranes
50047750	3	ChEBML_1590509	Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes
50047750	4	ChEBML_1590511	Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes
50030357	1	ChEMBL_573966 (CHEMBL1062956)	Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARgamma by scintillation proximity assay
50030357	2	ChEMBL_573967 (CHEMBL1062957)	Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARalpha by scintillation proximity assay
50030357	3	ChEMBL_573968 (CHEMBL1062958)	Activation of PPARgamma
50030357	4	ChEMBL_573965 (CHEMBL1062126)	Activation of human PPAR-gamma-dependent transcription expressed in human MCF7 cells assessed as induction of PPRE-reporter gene expression after 24 hrs by dual luciferase reporter gene assay
50030358	1	ChEMBL_574220 (CHEMBL1063866)	Inhibition of CYP2C9 in human liver microsomes
50030358	2	ChEMBL_574221 (CHEMBL1063867)	Inhibition of CYP2C8 in human liver microsomes
50030358	3	ChEMBL_574222 (CHEMBL1063868)	Inhibition of CYP2C19 in human liver microsomes
50030358	4	ChEMBL_574223 (CHEMBL1063869)	Inhibition of CYP3A4 in human liver microsomes
50030358	5	ChEMBL_574199 (CHEMBL1062993)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cells
50030358	6	ChEMBL_574198 (CHEMBL1062992)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50030358	7	ChEMBL_574197 (CHEMBL1062991)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
50030358	8	ChEMBL_574191 (CHEMBL1060392)	Antagonist activity at human 5HT transporter expressed in staurosporine treated human JAR cells
50030358	9	ChEMBL_574192 (CHEMBL1060393)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50030358	10	ChEMBL_574190 (CHEMBL1060391)	Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane
50030358	11	ChEMBL_574193 (CHEMBL1060394)	Antagonist activity at human 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50047750	5	ChEBML_1590513	Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes
50047750	12	ChEMBL_1590513 (CHEMBL3831095)	Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes
50047750	13	ChEMBL_1590515 (CHEMBL3831097)	Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes
50047750	7	ChEMBL_1590503 (CHEMBL3831085)	Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes
50047750	9	ChEMBL_1590501 (CHEMBL3830977)	Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes
50030360	1	ChEMBL_573556 (CHEMBL1063935)	Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus system assessed as appearance of 6-methoxynaphthaldehyde product by fluorescent-based assay
50030361	1	ChEMBL_572966 (CHEMBL1061354)	Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition
50030361	2	ChEMBL_572969 (CHEMBL1062128)	Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.01% Triton X-100
50030361	3	ChEMBL_572973 (CHEMBL1062132)	Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% bovine serum albumin
50030361	4	ChEMBL_572972 (CHEMBL1062131)	Inhibition of Trypanosoma cruzi cruzain preincubated for 5 mins before substrate addition in presence of 0.001% Triton X-100
50030361	5	ChEMBL_572968 (CHEMBL1062127)	Competitive inhibition of Trypanosoma cruzi cruzain by Lineweaver-Burke plot analysis
50030363	1	ChEMBL_573246 (CHEMBL1057818)	Displacement of fluorescent-tagged BH3 domain of Bak from Bcl-xL by fluorescence polarization assay
50030364	1	ChEMBL_573639 (CHEMBL1054620)	Inhibition of AChE by spectrophotometry
50030364	2	ChEMBL_573640 (CHEMBL1054621)	Inhibition of BChE by spectrophotometry
50047750	8	ChEMBL_1590505 (CHEMBL3831087)	Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes
50030366	1	ChEMBL_573789 (CHEMBL1052984)	Inhibition of human ERG channel
50030369	1	ChEMBL_577412 (CHEMBL1056264)	Inhibition of PARP1 by scintillation proximity assay
50030370	1	ChEMBL_577503 (CHEMBL1057855)	Inverse agonist activity at mouse histamine H3 receptor overexpressed in HEK293 cells by [35S]GTPgammaS binding assay
50030370	2	ChEMBL_577504 (CHEMBL1057856)	Binding affinity to human histamine H3 receptor by competitive binding assay
50030370	3	ChEMBL_577505 (CHEMBL1057857)	Binding affinity to rat histamine H3 receptor by competitive binding assay
50030370	4	ChEMBL_577506 (CHEMBL1057858)	Inhibition of histamine H1 receptor
50030370	5	ChEMBL_577507 (CHEMBL1057859)	Inhibition of histamine H2 receptor
50030370	6	ChEMBL_577508 (CHEMBL1057860)	Inhibition of histamine H4 receptor
50030370	7	ChEMBL_577509 (CHEMBL1057861)	Binding affinity to mouse histamine H3 receptor overexpressed in HEK293 cells
50030370	8	ChEMBL_577510 (CHEMBL1057862)	Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HEK293 cells
50030370	9	ChEMBL_577512 (CHEMBL1057864)	Binding affinity to histamine H3 receptor in wild type mouse brain membrane
50030371	1	ChEMBL_577514 (CHEMBL1057866)	Displacement of [125I]-(D-Tyr0)NMB from human neuromedin B receptor transfected in HEK293 cells
50030371	2	ChEMBL_577515 (CHEMBL1057867)	Inhibition gastrin-releasing peptide receptor
50030371	3	ChEMBL_577520 (CHEMBL1057872)	Antagonist activity at human neuromedin B receptor transfected in HEK293 cells assessed as inhibition of 1 nM neuromedin B-induced myo-[3H]inositol phosphate accumulation after 60 mins by scintillation proximity assay
50030372	1	ChEMBL_577702 (CHEMBL1063962)	Inhibition of CYP2D6
50030372	2	ChEMBL_577703 (CHEMBL1063963)	Inhibition of human ERG
50030373	1	ChEMBL_577728 (CHEMBL1063988)	Inhibition of ATPase activity of human topoisomerase 2 alpha
50030374	1	ChEMBL_577731 (CHEMBL1063991)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting
50030374	2	ChEMBL_577733 (CHEMBL1052368)	Agonist activity at delta opioid receptor in mouse vas deference assessed as inhibition of electrically-stimulated contraction
50030374	3	ChEMBL_577734 (CHEMBL1052369)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated contraction
50030374	4	ChEMBL_577730 (CHEMBL1063990)	Displacement of [3H]DPDE from delta opioid receptor in rat brain membrane by liquid scintillation counting
50030375	1	ChEMBL_577736 (CHEMBL1052371)	Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay
50030375	2	ChEMBL_577820 (CHEMBL1055471)	Inhibition of wild type CXCR1 transfected in mouse L1.2 cells assessed as inhibition of CXCL8-induced cell migration pretreated for 15 mins measured after 4 hrs
50030376	1	ChEMBL_578027 (CHEMBL1064059)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells
50030376	2	ChEMBL_578028 (CHEMBL1064060)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells
50030376	3	ChEMBL_578029 (CHEMBL1064061)	Displacement of [125I]nisoxetine from human NET expressed in HEK293 cells
50030377	1	ChEMBL_578058 (CHEMBL1051620)	Binding affinity to Bcl-xL by fluorescein-labeled Bak-BH3 peptide competition binding assay
50030378	1	ChEMBL_578064 (CHEMBL1051626)	Inhibition of rabbit muscle glycogen phosphorylase b by Lineweaver-Burke plot analysis
50030378	2	ChEMBL_578067 (CHEMBL1051629)	Inhibition of rabbit muscle glycogen phosphorylase b by Dixon plot analysis
50030379	2	ChEMBL_578219 (CHEMBL1063992)	Binding affinity to neuropeptide Y2 receptor
50047750	10	ChEMBL_1590529 (CHEMBL3831111)	Antagonist activity at human adenosine receptor A2a expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulation measured as NECA EC50 at 7 uM incubated for 15 mins in presence of [3H]cAMP by liquid scintillation counting (Rvb = 77 nM)
50047750	11	ChEMBL_1590519 (CHEMBL3831101)	Antagonist activity at human adenosine receptor A2b expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulation measured as NECA EC50 at 2 uM incubated for 15 mins in presence of [3H]cAMP by liquid scintillation counting (Rvb = 73 nM)
50047750	6	ChEMBL_1590524 (CHEMBL3831106)	Antagonist activity at human adenosine receptor A2a expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulation measured as NECA EC50 at 5 uM incubated for 15 mins in presence of [3H]cAMP by liquid scintillation counting (Rvb = 68 nM)
50047751	1	ChEMBL_1590545 (CHEMBL3828922)	Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellman's microplate assay
50047751	2	ChEMBL_1590646 (CHEMBL3829309)	Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by Ellman's microplate assay
50047751	3	ChEMBL_1590649 (CHEMBL3829312)	Mixed-type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by Lineweaver-Burk plot analysis
50047751	4	ChEMBL_1590650 (CHEMBL3829313)	Inhibition of BChE (unknown origin) pre-incubated for 15 mins before S-butyrylthiocholine chloride substrate addition and measured after 30 mins by colorimetric Ellman's method
50047752	1	ChEMBL_1590659 (CHEMBL3829420)	Inhibition of recombinant human NTPDase1 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method
50047752	2	ChEMBL_1590660 (CHEMBL3829421)	Inhibition of recombinant human NTPDase2 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method
50047753	1	ChEBML_1591242	Inhibition of recombinant mouse ATX using lysophosphatidylcholine as substrate by choline release assay
50047753	17	ChEMBL_1591116 (CHEMBL3829084)	Inhibition of recombinant human C-terminal V5/His6-tagged ATX expressed in HEK293 cells assessed as choline release at 0.5 uM using oleoyl-lysophosphatidylcholine as substrate incubated for 18 hrs by linear regression analysis
50047753	14	ChEMBL_1591118 (CHEMBL3829086)	Mixed-type inhibition of human recombinant ATX using FS3 as substrate assessed as enzyme-substrate-inhibitor complex incubated for 2 hrs by Michaelis-Menten equation analysis
50047753	19	ChEMBL_1591111 (CHEMBL3829079)	Inhibition of recombinant hemagglutinin-tagged ATX (unknown origin) using FS3 as substrate incubated for 2 hrs by fluorescence plate reader analysis
50047753	5	ChEMBL_1591236 (CHEMBL3829628)	Inhibition of ATX in human plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysis
50047753	6	ChEMBL_1591234 (CHEMBL3829626)	Inhibition of recombinant human ATX using FS3 as substrate measured after 3 hrs by fluorescence assay
50047753	7	ChEMBL_1591232 (CHEMBL3829624)	Inhibition of recombinant human C-terminal His-tagged ATX expressed in HEK293E cells using lysophosphatidylcholine as substrate preincubated with enzyme followed by substrate addition measured after 1 hr by AmplexRed dye based fluorescence assay
50047753	4	ChEMBL_1591239 (CHEMBL3829631)	Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay
50047753	9	ChEMBL_1591230 (CHEMBL3829622)	Inhibition of human recombinant ATX using FS3 as substrate incubated for 30 mins by fluorescence assay
50047753	10	ChEMBL_1591229 (CHEMBL3829621)	Inhibition of recombinant ATX in human Hep3B cells using lysophosphatidylcholine as substrate preincubated for 15 mins followed by substrate addition measured after 1.5 to 3 hrs by choline release assay
50047753	11	ChEMBL_1591228 (CHEMBL3829620)	Inhibition of recombinant ATX in human MDA-MB-4355 cells using lysophosphatidylcholine as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins by choline release assay
50047753	12	ChEMBL_1591109 (CHEMBL3829077)	Inhibition of human recombinant ATX expressed in HEK cells using oleoyl-lysophosphatidylcholine as substrate preincubated for 20 mins followed by substrate addition measured every 2 mins for 40 mins by AmplexRed dye based fluorescence assay
50047753	13	ChEBML_1591230	Inhibition of human recombinant ATX using FS3 as substrate incubated for 30 mins by fluorescence assay
50047753	16	ChEMBL_1591115 (CHEMBL3829083)	Inhibition of recombinant human C-terminal V5/His6-tagged ATX expressed in HEK293 cells assessed as choline release at 0.5 uM using oleoyl-lysophosphatidylcholine as substrate incubated for 18 hrs by non-linear regression analysis
50047753	15	ChEMBL_1591119 (CHEMBL3829087)	Mixed-type inhibition of human recombinant ATX using FS3 as substrate assessed as enzyme-inhibitor complex incubated for 2 hrs by Michaelis-Menten equation analysis
50047753	2	ChEMBL_1591241 (CHEMBL3829633)	Inhibition of recombinant human ATX using lysophosphatidylcholine as substrate by choline release assay
50047753	8	ChEMBL_1591231 (CHEMBL3829623)	Inhibition of ATX-mediated LPA release in human plasma after 3 hrs by mass spectrometric analysis
50047753	3	ChEMBL_1591240 (CHEMBL3829632)	Inhibition of human ATX using lysophosphatidylcholine as substrate preincubated with enzyme followed by substrate addition measured after 30 mins by luminescence assay
50047753	18	ChEMBL_1591117 (CHEMBL3829085)	Inhibition of human recombinant ATX using FS3 as substrate incubated for 2 hrs by fluorescence assay
50047754	1	ChEMBL_1591263 (CHEMBL3829796)	Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis
50047754	2	ChEMBL_1591271 (CHEMBL3829804)	Activation of human PXR
50047754	3	ChEMBL_1589082 (CHEMBL3829467)	Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced currents by patch-clamp electrophysiological assay
50047755	1	ChEMBL_1589118 (CHEMBL3829503)	Binding affinity to human Lp-PLA2 by ITC assay
50047756	1	ChEMBL_1589255 (CHEMBL3830283)	Inhibition of Trypanosoma brucei brucei inosine-adenosine-guanosine nucleoside hydrolase expressed in Escherichia coli
50047756	2	ChEMBL_1589249 (CHEMBL3830142)	Binding affinity to human adenosine A3 receptor
50047756	3	ChEMBL_1589257 (CHEMBL3830285)	Inhibition of Crithidia fasciculata inosine-uridine nucleoside hydrolase expressed in Escherichia coli using p-nitrophenyl beta-D-ribofuranoside as substrate by xanthine oxidase coupled enzyme assay
50047757	1	ChEMBL_1589259 (CHEMBL3830287)	Inhibition of PSMA (unknown origin) assessed as reduction in glutamate formation using NAAG as substrate preincubated for 30 mins followed by substrate addition by Amplex red assay
50047757	2	ChEMBL_1589258 (CHEMBL3830286)	Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50047758	1	ChEMBL_1589428 (CHEMBL3831013)	Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay
50047758	2	ChEMBL_1589278 (CHEMBL3830306)	Inhibition of N-terminal His6-tagged recombinant human ALK (1058 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	3	ChEMBL_1589279 (CHEMBL3830307)	Inhibition of N-terminal His6-tagged recombinant human c-Met (974 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	4	ChEMBL_1589280 (CHEMBL3830308)	Inhibition of recombinant LTK (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	5	ChEMBL_1589281 (CHEMBL3830309)	Inhibition of recombinant ROS1 (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	6	ChEMBL_1589282 (CHEMBL3830310)	Inhibition of N-terminal His6-tagged recombinant human IGF-1R (959 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	7	ChEMBL_1589283 (CHEMBL3830311)	Inhibition of recombinant human AXL using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	8	ChEMBL_1589284 (CHEMBL3830312)	Inhibition of N-terminal His6-tagged recombinant human TYRO3 (451 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	9	ChEMBL_1589285 (CHEMBL3830313)	Inhibition of N-terminal His6-tagged recombinant human Ron (983 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	10	ChEMBL_1589286 (CHEMBL3830416)	Inhibition of N-terminal His6-tagged recombinant human KDR (790 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	11	ChEMBL_1589287 (CHEMBL3830417)	Inhibition of N-terminal His6-tagged recombinant human PDGFRalpha (550 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	12	ChEMBL_1589289 (CHEMBL3830419)	Inhibition of N-terminal His6-tagged recombinant human PDGFRbeta (557 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	13	ChEMBL_1589290 (CHEMBL3830420)	Inhibition of N-terminal His6-tagged recombinant human ErbB4 (709 to 991 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	14	ChEMBL_1589291 (CHEMBL3830421)	Inhibition of N-terminal GST-tagged recombinant human FLT1 (783 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50030381	1	ChEMBL_578382 (CHEMBL1057938)	Inhibition of human influenza A/Memphis/1/71(H3N2) sialidase by fluorescence spectrophotometry
50030382	1	ChEMBL_578399 (CHEMBL1057955)	Inhibition of GST-fused recombinant CDK5/p25 expressed in Escherichia coli after 30 mins by scintillation counting
50030382	2	ChEMBL_578404 (CHEMBL1058744)	Inhibition of hemagglutininin-tagged Saccharomyces cerevisiae MNY629 Cdc28/Clb2
50030383	1	ChEMBL_578488 (CHEMBL1063147)	Inhibition of ovine COX1 by chemiluminescence assay
50030383	2	ChEMBL_578489 (CHEMBL1063148)	Inhibition of ovine COX2 by chemiluminescence assay
50030384	1	ChEMBL_578493 (CHEMBL1063152)	Inhibition of Mycobacterium tuberculosis NAD kinase by modified HPLC based assay
50030384	2	ChEMBL_578494 (CHEMBL1063153)	Inhibition of human NAD kinase by modified HPLC based assay
50030385	1	ChEMBL_578553 (CHEMBL1052395)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay
50030385	2	ChEMBL_578554 (CHEMBL1052396)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 25 deg C by fluorimetric assay
50030385	3	ChEMBL_578555 (CHEMBL1052397)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay
50030385	4	ChEMBL_578556 (CHEMBL1052398)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 20 deg C by fluorimetric assay
50030385	5	ChEMBL_578558 (CHEMBL1052400)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay
50030385	6	ChEMBL_578557 (CHEMBL1052399)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 15 deg C by fluorimetric assay
50030385	7	ChEMBL_578560 (CHEMBL1052402)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay
50030385	8	ChEMBL_578559 (CHEMBL1052401)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 10 deg C by fluorimetric assay
50030385	9	ChEMBL_578543 (CHEMBL1052385)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay
50030385	10	ChEMBL_578544 (CHEMBL1052386)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay
50030385	11	ChEMBL_578552 (CHEMBL1052394)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay
50030385	12	ChEMBL_578551 (CHEMBL1052393)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 30 deg C by fluorimetric assay
50030385	13	ChEMBL_578550 (CHEMBL1052392)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay
50030385	14	ChEMBL_578549 (CHEMBL1052391)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay
50030385	15	ChEMBL_578547 (CHEMBL1052389)	Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay
50030385	16	ChEMBL_578548 (CHEMBL1052390)	Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay
50030386	1	ChEMBL_578563 (CHEMBL1052405)	Inhibition of human 11betaHSD1 expressed in CHO cells
50030386	2	ChEMBL_578565 (CHEMBL1052407)	Inhibition of mouse 11betaHSD1 expressed in CHO cells in presence of 10 % (v/v) human serum
50030386	3	ChEMBL_578564 (CHEMBL1052406)	Inhibition of mouse 11betaHSD1 expressed in CHO cells
50047758	15	ChEMBL_1589292 (CHEMBL3830422)	Inhibition of N-terminal GST-tagged recombinant human FLT3 (564 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	16	ChEMBL_1589293 (CHEMBL3830423)	Inhibition of recombinant human c-Src expressed in insect Sf9 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	17	ChEMBL_1589288 (CHEMBL3830418)	Inhibition of N-terminal GST-tagged recombinant human EGFR T790M/L858R double mutant (696 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	18	ChEMBL_1589294 (CHEMBL3830424)	Inhibition of N-terminal His6-tagged recombinant mouse ABL (27 to 1123 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	19	ChEMBL_1589295 (CHEMBL3830425)	Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	20	ChEMBL_1589296 (CHEMBL3830426)	Inhibition of human ErbB2 using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	21	ChEMBL_1589297 (CHEMBL3830427)	Inhibition of N-terminal GST-tagged recombinant human c-Kit (544 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	22	ChEMBL_1589424 (CHEMBL3830907)	Inhibition of wild type N-terminal GST-tagged recombinant human RET (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	23	ChEMBL_1589425 (CHEMBL3831010)	Inhibition of N-terminal GST-tagged recombinant human RET V804M mutant (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	24	ChEMBL_1589430 (CHEMBL3831015)	Inhibition of recombinant ALK L1196M mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	25	ChEMBL_1589431 (CHEMBL3831016)	Inhibition of recombinant ALK C1156Y mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	26	ChEMBL_1589432 (CHEMBL3831017)	Inhibition of recombinant ALK F1174L mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	27	ChEMBL_1589433 (CHEMBL3831018)	Inhibition of recombinant ALK G1269A mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	28	ChEMBL_1589434 (CHEMBL3831019)	Inhibition of recombinant ALK R1275Q mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	29	ChEMBL_1589435 (CHEMBL3831020)	Inhibition of recombinant ALK T1151ins mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50047758	30	ChEMBL_1589426 (CHEMBL3831011)	Inhibition of wild type recombinant human RET using Biotin-EGPWLEEEEEAYGWMDF as substrate incubated for 60 mins by TR-FRET assay
50047759	1	ChEMBL_1589608 (CHEMBL3829377)	Inhibition of cytoplasmic GST-tagged human recombinant EGFR expressed in baculovirus system by z-lyte assay
50047759	2	ChEMBL_1589609 (CHEMBL3829378)	Inhibition of cytoplasmic GST-tagged human recombinant EGFR L858R mutant expressed in baculovirus system by z-lyte assay
50047759	3	ChEMBL_1589610 (CHEMBL3829379)	Inhibition of cytoplasmic GST-tagged human recombinant EGFR L858R/T790M double mutant (668-1210 residues) expressed in baculovirus system by z-lyte assay
50047759	4	ChEMBL_1589611 (CHEMBL3829380)	Inhibition of cytoplasmic His-tagged human ErbB2 expressed in baculovirus system by z-lyte assay
50030388	3	ChEMBL_578686 (CHEMBL1063067)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells by Topcount microplate scintillation counting
50047759	5	ChEMBL_1589612 (CHEMBL3829381)	Inhibition of cytoplasmic GST-tagged human ErbB4 expressed in baculovirus system by z-lyte assay
50030388	1	ChEMBL_578685 (CHEMBL1063066)	Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting
50030388	4	ChEMBL_578687 (CHEMBL1063068)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells by Topcount microplate scintillation counting
50047759	6	ChEMBL_1589601 (CHEMBL3829370)	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50030389	1	ChEMBL_578851 (CHEMBL1056315)	Inhibition of peptidyl-prolyl isomerase activity of Cyclophilin A
50047759	7	ChEMBL_1589600 (CHEMBL3829369)	Inhibition of ErbB2 (unknown origin)
50047760	1	ChEMBL_1589616 (CHEMBL3829511)	Inhibition of 6x-His-tagged Staphylococcus aureus diapophytoene desaturase expressed in Escherichia coli BL21 (DE3) using diapophytoene substrate after overnight incubation
50047760	2	ChEMBL_1589761 (CHEMBL3830163)	Inhibition of Staphylococcus aureus ATCC 27659 full length His-tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in staphyloxanthin pigment formation after 72 hrs by spectrophotometric analysis
50047760	3	ChEMBL_1589762 (CHEMBL3830314)	Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation
50047760	4	ChEMBL_1589615 (CHEMBL3829384)	Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation after 48 hrs by spectrophotometry
50030391	3	ChEMBL_579260 (CHEMBL1058826)	Inhibition of human TACE
50030391	6	ChEMBL_579119 (CHEMBL1062321)	Inhibition of human MMP8
50030391	7	ChEMBL_579118 (CHEMBL1062320)	Inhibition of human MMP7
50030391	8	ChEMBL_579117 (CHEMBL1062319)	Inhibition of human MMP3
50030391	9	ChEMBL_579116 (CHEMBL1062318)	Inhibition of human MMP2
50030391	10	ChEMBL_579115 (CHEMBL1062317)	Inhibition of human MMP1
50030391	11	ChEMBL_579113 (CHEMBL1062315)	Inhibition of rat MMP12
50030391	12	ChEMBL_579112 (CHEMBL1062314)	Inhibition of mouse MMP12
50030391	13	ChEMBL_579099 (CHEMBL1062301)	Inhibition of human recombinant MMP12
50030391	14	ChEMBL_579100 (CHEMBL1062302)	Inhibition of human recombinant MMP13
50030391	15	ChEMBL_579116 (CHEMBL1062318)	Inhibition of human MMP2
50030392	3	ChEMBL_580003 (CHEMBL1051691)	Agonist activity at FPRL2 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50047761	1	ChEMBL_1589885 (CHEMBL3830765)	Inhibition of aromatase in human MCF7 cells using [1beta-3H]androstenedione as substrate measured after 1 hr by liquid scintillation counting method
50047761	2	ChEMBL_1589887 (CHEMBL3830767)	Inhibition of human placental microsomal aromatase using testosterone as substrate
50047761	3	ChEMBL_1589888 (CHEMBL3830768)	Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein as substrate measured after 30 mins by fluorescence quenching assay
50030392	7	ChEMBL_580002 (CHEMBL1051690)	Agonist activity at FPRL1 expressed in human HL60 cells assessed as induction of intracellular calcium flux by FLIPR3 calcium assay
50047761	4	ChEMBL_1589890 (CHEMBL3830770)	Inhibition of sulphatase in human MCF7 cells assessed as inhibition of E1-STS activity
50047761	5	ChEMBL_1589891 (CHEMBL3830771)	Inhibition of placental sulphatase (unknown origin)
50047762	1	ChEMBL_1589935 (CHEMBL3830925)	Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay
50047762	2	ChEMBL_1589931 (CHEMBL3830921)	Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay
50047762	3	ChEMBL_1589917 (CHEMBL3830797)	Inhibition of FP-Rh probe binding to recombinant PAFAH1B2 (unknown origin) doped in human HeLa cell lysate incubated for 30 mins followed by FP-Rh probe addition measured after 10 mins by ABPP gel-based assay
50047763	1	ChEBML_1589939	Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay
50047763	4	ChEMBL_1590057 (CHEMBL3829027)	Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay
50047763	5	ChEMBL_1589939 (CHEMBL3830929)	Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay
50047763	2	ChEMBL_1589940 (CHEMBL3830930)	Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrate addition measured after 30 mins
50047763	3	ChEMBL_1589941 (CHEMBL3830931)	Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay
50047764	1	ChEMBL_1590067 (CHEMBL3829134)	Displacement of fluorescein-labeled estrogen ligand from recombinant ER-alpha (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50047764	2	ChEMBL_1590071 (CHEMBL3829138)	Inhibition of recombinant human His-tagged cytoplasmic VEGFR2 (789 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by HTRF assay
50047765	1	ChEMBL_1590558 (CHEMBL3828935)	Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	2	ChEMBL_1590559 (CHEMBL3828936)	Inhibition of full length recombinant human His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system incubated for 1 hr by kinase-glo assay
50047765	3	ChEMBL_1590563 (CHEMBL3829032)	Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	4	ChEMBL_1590564 (CHEMBL3829033)	Inhibition of full length C-terminal His-tagged human recombinant HDAC3/NCOR2 (395 to 489 residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	5	ChEMBL_1590565 (CHEMBL3829034)	Inhibition of full length C-terminal His-tagged human recombinant HDAC8 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	6	ChEMBL_1590566 (CHEMBL3829035)	Inhibition of N-terminal GST/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	7	ChEMBL_1590567 (CHEMBL3829036)	Inhibition of human recombinant HDAC5 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	8	ChEMBL_1590568 (CHEMBL3829037)	Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	9	ChEMBL_1590569 (CHEMBL3829038)	Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	10	ChEMBL_1590570 (CHEMBL3829039)	Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50030395	1	ChEMBL_579785 (CHEMBL1059686)	Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay
50030395	2	ChEMBL_579784 (CHEMBL1059685)	Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay
50030396	1	ChEMBL_579908 (CHEMBL1063294)	Inhibition of CYP3A4
50047765	11	ChEMBL_1590571 (CHEMBL3829040)	Inhibition of human recombinant HDAC10 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50030397	1	ChEMBL_579921 (CHEMBL1056354)	Inhibition of human HDAC1
50047765	12	ChEMBL_1590572 (CHEMBL3829041)	Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as release of AMC preincubated for 15 mins followed by substrate addition measured after 1 hr by fluorescence assay
50047765	13	ChEMBL_1590573 (CHEMBL3829042)	Inhibition of human recombinant HDAC1 (482 residues) by Color-de-Lys assay
50047765	14	ChEMBL_1590574 (CHEMBL3829043)	Inhibition of full length recombinant human N-terminal GST-tagged p110 alpha/untagged p85 alpha expressed in baculovirus infected insect Sf9 cells using PI:3PS as substrate incubated for 60 mins by ADP-Glo luminescence assay
50047765	15	ChEMBL_1590575 (CHEMBL3829044)	Inhibition of recombinant human p110beta expressed in baculovirus infected insect Sf9 cells incubated for 1 hr by ADP-gloreagen assay
50047765	16	ChEMBL_1590576 (CHEMBL3829045)	Inhibition of His-tagged full length recombinant human p110gamma expressed in baculovirus expression system incubated for 1 hr by ADP-gloreagen assay
50047765	17	ChEMBL_1590577 (CHEMBL3829046)	Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected insect Sf9 cells incubated for 2 hrs by kinase-glo assay
50047765	18	ChEMBL_1590578 (CHEMBL3829047)	Inhibition of HDAC in human HeLa cell nuclear extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate after 30 mins by fluorescence assay
50030400	1	ChEMBL_577597 (CHEMBL1059506)	Binding affinity to factor 10a
50030400	2	ChEMBL_577598 (CHEMBL1059507)	Binding affinity to thrombin
50030401	1	ChEMBL_577616 (CHEMBL1061362)	Inhibition of CDK1/Cyclin B
50030401	2	ChEMBL_577617 (CHEMBL1061363)	Inhibition of CDK2/Cyclin A
50030402	2	ChEMBL_577741 (CHEMBL1052376)	Inhibition of recombinant CYP11B1 expressed in expressed in V79MZh11B1 cells
50030402	1	ChEMBL_577740 (CHEMBL1052375)	Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsome
50030402	3	ChEMBL_577742 (CHEMBL1052377)	Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase
50030402	4	ChEMBL_577748 (CHEMBL1053055)	Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsome at 1 uM
50030403	1	ChEMBL_577751 (CHEMBL1053058)	Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase
50030403	2	ChEMBL_577752 (CHEMBL1053059)	Inhibition of Plasmodium falciparum enoyl-acyl carrier protein reductase expressed in Escherichia coli BL21(DE3) by spectrophotometry
50047765	19	ChEMBL_1590579 (CHEMBL3829048)	Inhibition of HDAC6 in human A2780S cells assessed as tubulin acetylation incubated for 6 hrs by cytoblot assay
50047766	1	ChEBML_1591031	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method
50047766	7	ChEBML_1591032	Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method
50047766	15	ChEMBL_1591032 (CHEMBL3831117)	Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method
50030405	1	ChEMBL_577782 (CHEMBL1054709)	Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting
50030405	2	ChEMBL_577779 (CHEMBL1053086)	Inhibition of MGL in Wistar rat cerebral membrane by HPLC
50030405	3	ChEMBL_577778 (CHEMBL1053085)	Inhibition of human recombinant MGL by liquid scintillation counting
50030405	4	ChEMBL_577794 (CHEMBL1054721)	Inhibition of FAAH-mediated anandamide hydrolysis in rat brain membrane
50030405	5	ChEMBL_577786 (CHEMBL1054713)	Inhibition of FAAH-mediated hydrolysis of [3H]anandamide in rat RBL2H3 cells
50030406	1	ChEMBL_577916 (CHEMBL1059589)	Displacement of[125I]MCH from human MCH1R expressed in CHO cells
50030406	2	ChEMBL_577921 (CHEMBL1059594)	Binding affinity to human MCH1R expressed in CHO cells by scintillation counting per mg of protein
50030406	3	ChEMBL_577819 (CHEMBL1055470)	Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopiperazine-1-sulfonic acid from human MCH1R
50030406	4	ChEMBL_577918 (CHEMBL1059591)	Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopiperazine-1-sulfonic acid from mouse MCH1R
50030406	5	ChEMBL_577919 (CHEMBL1059592)	Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopiperazine-1-sulfonic acid from human MCH2R
50030406	6	ChEMBL_577920 (CHEMBL1059593)	Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced calcium mobilization by FLIPR assay
50030407	1	ChEMBL_577958 (CHEMBL1059631)	Inhibition of rat neuronal Cav2.2 channel
50030408	1	ChEMBL_577960 (CHEMBL1059633)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting
50030408	2	ChEMBL_577959 (CHEMBL1059632)	Inhibition of histamine H1 receptor
50030409	1	ChEMBL_577995 (CHEMBL1062250)	Inhibition of human recombinant His-tagged c-Met by TR-FRET assay
50030409	2	ChEMBL_577997 (CHEMBL1062252)	Inhibition of c-Met phosphorylation in human MKN45 cells after 1 hr
50030409	3	ChEMBL_578096 (CHEMBL1053155)	Inhibition of c-Met phosphorylation in human A549 cells after 1 hr
50030411	1	ChEMBL_578167 (CHEMBL1060467)	Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challenge measured after 2 hrs by immunocytochemical staining
50047766	16	ChEMBL_1591031 (CHEMBL3831009)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method
50030412	1	ChEMBL_578286 (CHEMBL1053843)	Inhibition of MK2-mediated inhibition of biotinylated substrate phosphorylation
50030412	2	ChEMBL_578287 (CHEMBL1053844)	Inhibition of LCK-mediated inhibition of biotinylated substrate phosphorylation
50030412	3	ChEMBL_578288 (CHEMBL1053845)	Inhibition of STAT5 phosphorylation in IL2-stimulated healthy human T cells by Western blotting
50030412	4	ChEMBL_578283 (CHEMBL1053840)	Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation
50030412	5	ChEMBL_578280 (CHEMBL1053101)	Inhibition of SYK-mediated inhibition of biotinylated substrate phosphorylation
50030412	6	ChEMBL_578285 (CHEMBL1053842)	Inhibition of Zap70-mediated inhibition of biotinylated substrate phosphorylation
50047766	13	ChEMBL_1591035 (CHEMBL3831120)	Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl cyclase activity incubated for 20 mins in presence of [alpha32P]ATP
50047766	9	ChEMBL_1591033 (CHEMBL3831118)	Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method
50030414	1	ChEMBL_578455 (CHEMBL1060576)	Inhibition of human NEU3 transiently transfected in HEK293 cells by fluorimetric analysis
50030414	2	ChEMBL_578453 (CHEMBL1060574)	Inhibition of human NEU2 transiently transfected in HEK293 cells by fluorimetric analysis
50030414	3	ChEMBL_578462 (CHEMBL1062266)	Inhibition of human NEU2 transiently transfected in HEK293 cells by Line-Weaver Burk plotting
50030414	4	ChEMBL_578458 (CHEMBL1060579)	Inhibition of human NEU1 transiently transfected in HEK293T cells by fluorimetric analysis
50030414	5	ChEMBL_578459 (CHEMBL1062263)	Inhibition of human NEU2 transiently transfected in HEK293T cells by fluorimetric analysis
50030414	6	ChEMBL_578460 (CHEMBL1062264)	Inhibition of human NEU3 transiently transfected in HEK293T cells by fluorimetric high-performance liquid chromatography
50030414	7	ChEMBL_578461 (CHEMBL1062265)	Inhibition of human NEU4 transiently transfected in HEK293T cells by fluorimetric analysis
50030415	1	ChEMBL_578476 (CHEMBL1063135)	Inhibition of rabbit muscle glycogen phosphorylase b
50030416	1	ChEMBL_578569 (CHEMBL1053912)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in Ltk deficient fibroblast cells by liquid scintillation counting
50030416	2	ChEMBL_578483 (CHEMBL1063142)	Displacement of [3H]raclopride from rat dopamine D2short receptor expressed in CHO-K1 cells by liquid scintillation counting
50030416	3	ChEMBL_578484 (CHEMBL1063143)	Agonist activity at rat dopamine D2short receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation counting
50030417	1	ChEMBL_578610 (CHEMBL1054749)	Antagonist activity at human recombinant P2Y12 receptor expressed in CHO FlpIn cells assessed as reduction n 2-methylthio-ADP mediated inhibition of forskolin-induced cAMP response element-directed luciferase expression by bright-glo assay
50030418	1	ChEMBL_578754 (CHEMBL1052327)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells by gamma counting
50030418	2	ChEMBL_578756 (CHEMBL1052329)	Agonist activity at human MT1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50030418	3	ChEMBL_578753 (CHEMBL1052326)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells by gamma counting
50030419	1	ChEMBL_578766 (CHEMBL1052339)	Inhibition of rat recombinant DYRK1A expressed in Escherichia coli
50030419	2	ChEMBL_578767 (CHEMBL1052340)	Inhibition of rat recombinant Erk2
50030419	3	ChEMBL_578764 (CHEMBL1052337)	Inhibition of human recombinant CDK5/p25
50030420	1	ChEMBL_578771 (CHEMBL1052344)	Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay
50030421	1	ChEMBL_578963 (CHEMBL1064034)	Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)
50030421	2	ChEMBL_578964 (CHEMBL1064035)	Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system
50030421	3	ChEMBL_578965 (CHEMBL1064036)	Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system
50030421	4	ChEMBL_578966 (CHEMBL1064037)	Inhibition of recombinant Aurora A expressed in Escherichia coli
50030421	5	ChEMBL_578967 (CHEMBL1064038)	Inhibition of recombinant MEK1 expressed in Escherichia coli
50030421	6	ChEMBL_578968 (CHEMBL1064039)	Inhibition of recombinant ERK1 expressed in Escherichia coli
50030421	7	ChEMBL_578970 (CHEMBL1061419)	Inhibition of GST-GSK3beta
50030422	1	ChEMBL_578976 (CHEMBL1061425)	Inhibition of 5LOX-mediated LTB4 formation in stimulated human polymorphonuclear leukocytes
50030422	2	ChEMBL_578973 (CHEMBL1061422)	Inhibition of COX1 in ram seminal vesicle by enzyme immunoassay
50030422	3	ChEMBL_578974 (CHEMBL1061423)	Inhibition of COX2 in sheep placental vesicle by enzyme immunoassay
50030423	1	ChEMBL_578985 (CHEMBL1061434)	Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor expressed in CHO cells
50030423	2	ChEMBL_578982 (CHEMBL1061431)	Displacement of [3H]SCH23390 from bovine dopamine D1 receptor
50030423	3	ChEMBL_578983 (CHEMBL1061432)	Displacement of [3H]SCH23390 from human cloned dopamine D2 long receptor expressed in CHO cells
50030423	4	ChEMBL_578984 (CHEMBL1061433)	Displacement of [3H]spiroperidol from human cloned dopamine D2 short receptor expressed in CHO cells
50030424	1	ChEMBL_578989 (CHEMBL1061438)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells by scintillation counting
50030424	2	ChEMBL_578987 (CHEMBL1061436)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells by scintillation counting
50030424	3	ChEMBL_578988 (CHEMBL1061437)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells by scintillation counting
50030425	1	ChEMBL_578992 (CHEMBL1061441)	Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	2	ChEMBL_578993 (CHEMBL1061442)	Displacement of [3H]epibatidine from rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	3	ChEMBL_578994 (CHEMBL1061443)	Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	4	ChEMBL_578995 (CHEMBL1061444)	Displacement of [3H]epibatidine from rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	5	ChEMBL_578996 (CHEMBL1061445)	Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	6	ChEMBL_578998 (CHEMBL1061447)	Displacement of [3H]epibatidine from rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting
50030425	7	ChEMBL_579000 (CHEMBL1061449)	Displacement of [125I]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain
50030426	1	ChEMBL_579016 (CHEMBL1061465)	Inhibition of mushroom tyrosinase activity after 150 mins by spectrophotometry
50030426	2	ChEMBL_579015 (CHEMBL1061464)	Inhibition of mushroom tyrosinase activity after 90 mins by spectrophotometry
50030426	3	ChEMBL_579014 (CHEMBL1061463)	Inhibition of mushroom tyrosinase activity after 30 mins by spectrophotometry
50030427	2	ChEMBL_579021 (CHEMBL1061470)	Inhibition of human recombinant DPP4 by fluorescence assay
50030428	1	ChEMBL_579202 (CHEMBL1055592)	Displacement of [125I]PYY from human recombinant NPY Y1 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding by scintillation counting
50030428	2	ChEMBL_579203 (CHEMBL1055593)	Displacement of [35S]MK499 from human ERG channel in HEK293 cells
50030429	1	ChEMBL_579226 (CHEMBL1058020)	Inhibition of SGK1 by fluorescence polarization assay
50030429	2	ChEMBL_579228 (CHEMBL1058022)	Inhibition of SGK1-mediated epithelial sodium channel activity in human M-1 cells assessed as short circuit current by whole cell electrophysiological transepithelial experiment
50030430	1	ChEMBL_579349 (CHEMBL1063190)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50030430	2	ChEMBL_579352 (CHEMBL1063193)	Inhibition of human ERG activation expressed in CHO cells by rubidium efflux assay
50030430	3	ChEMBL_579348 (CHEMBL1063189)	Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells
50030430	4	ChEMBL_579351 (CHEMBL1063192)	Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation
50030430	5	ChEMBL_579354 (CHEMBL1063195)	Inhibition of NaV1.5 sodium channel expressed in CHO cells by patch clamp assay
50030430	6	ChEMBL_579355 (CHEMBL1063196)	Displacement of [125I]MCH from human MCHR2 expressed in CHO cells
50030431	1	ChEMBL_579372 (CHEMBL1063213)	Displacement of radioligand from RARalpha receptor
50030431	2	ChEMBL_579373 (CHEMBL1063214)	Displacement of radioligand from RARbeta receptor
50030431	3	ChEMBL_579374 (CHEMBL1063215)	Displacement of radioligand from RARgamma receptor
50030432	1	ChEMBL_579378 (CHEMBL1063219)	Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock challenge measured after 2 hrs without recovery time by immunocytochemical staining
50030432	2	ChEMBL_579377 (CHEMBL1063218)	Amplification of HSF1 transcriptional activity in human HeLa cells assessed as granule formation pretreated for 3 hrs by immunocytochemical staining
50047766	14	ChEMBL_1591043 (CHEMBL3831128)	Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membrane by by scintillation counting method
50030434	1	ChEMBL_579418 (CHEMBL1053173)	Displacement of [3H]LTD4 from CYSLT1 receptor in guinea pig lung membrane
50030435	1	ChEMBL_579492 (CHEMBL1058846)	Inhibition of human AChE-induced amyloid beta (1-40) aggregation by thioflavin T fluorescence-based assay
50030435	2	ChEMBL_579489 (CHEMBL1058843)	Inhibition of human recombinant BchE preincubated 20 mins before substrate addition by Ellman method
50030435	3	ChEMBL_579488 (CHEMBL1058842)	Inhibition of human recombinant AChE preincubated 20 mins before substrate addition by Ellman method
50030436	1	ChEMBL_579506 (CHEMBL1058860)	Inhibition of DPP9 by continuous fluorimetric assay
50030436	2	ChEMBL_579503 (CHEMBL1058857)	Inhibition of DPP4 by continuous fluorimetric assay
50030436	3	ChEMBL_579504 (CHEMBL1058858)	Inhibition of DPP7 by continuous fluorimetric assay
50030436	4	ChEMBL_579505 (CHEMBL1058859)	Inhibition of DPP8 by continuous fluorimetric assay
50047766	12	ChEMBL_1591046 (CHEMBL3831131)	Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as increase in cAMP production
50047766	10	ChEMBL_1591044 (CHEMBL3831129)	Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membrane by scintillation counting method
50030438	1	ChEMBL_579543 (CHEMBL1062331)	Inhibition of human histamine H1 receptor
50030438	2	ChEMBL_579544 (CHEMBL1062332)	Inhibition of human histamine H2 receptor
50030438	3	ChEMBL_579545 (CHEMBL1062333)	Inhibition of human histamine H4 receptor
50030438	4	ChEMBL_579564 (CHEMBL1062352)	Inhibition of CYP3A4
50030438	5	ChEMBL_579565 (CHEMBL1062353)	Inhibition of CYP2D6
50030438	6	ChEMBL_579566 (CHEMBL1062354)	Inhibition of CYP2C9
50030438	7	ChEMBL_579538 (CHEMBL1061547)	Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding by cell-based assay
50030438	8	ChEMBL_579539 (CHEMBL1061548)	Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting
50030439	1	ChEMBL_579572 (CHEMBL1062360)	Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay
50030440	1	ChEMBL_579651 (CHEMBL1064071)	Inhibition of PI3 kinase
50030441	1	ChEMBL_579665 (CHEMBL1064085)	Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay
50030441	3	ChEMBL_579666 (CHEMBL1064086)	Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay
50030442	2	ChEMBL_579669 (CHEMBL1064089)	Agonist activity at N-terminal HA-tagged GPR109a receptor transfected in forskolin-stimulated cells assessed as cAMP accumulation by flashplate assay
50030443	1	ChEMBL_579676 (CHEMBL1064096)	Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation
50030444	1	ChEMBL_579693 (CHEMBL1053207)	Inhibition of human dopamine transporter
50030445	1	ChEMBL_579714 (CHEMBL1053955)	Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay
50030445	2	ChEMBL_579715 (CHEMBL1053956)	Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay
50030445	3	ChEMBL_579716 (CHEMBL1053957)	Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay
50030445	4	ChEMBL_579717 (CHEMBL1053958)	Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay
50030445	5	ChEMBL_579718 (CHEMBL1053959)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50030445	6	ChEMBL_579801 (CHEMBL1059702)	Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay
50030445	7	ChEMBL_579802 (CHEMBL1059703)	Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay
50030445	8	ChEMBL_579803 (CHEMBL1059704)	Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay
50030445	9	ChEMBL_579804 (CHEMBL1059705)	Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay
50030445	10	ChEMBL_579710 (CHEMBL1053951)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50030445	11	ChEMBL_579711 (CHEMBL1053952)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50030445	12	ChEMBL_579712 (CHEMBL1053953)	Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay
50030445	13	ChEMBL_579713 (CHEMBL1053954)	Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay
50030447	1	ChEMBL_579862 (CHEMBL1063248)	Inhibition of human factor 10a-mediated cleavage of synthetic substrate S-2222
50047766	11	ChEMBL_1591045 (CHEMBL3831130)	Displacement of [125I]I-ABMECA from recombinant human adenosine A3 receptor expressed in HEK293 cell membrane by scintillation counting method
50030447	3	ChEMBL_579854 (CHEMBL1063240)	Inhibition of CYP3A4 using BZR as substrate
50030447	4	ChEMBL_579856 (CHEMBL1063242)	Inhibition of CYP1A2
50030447	5	ChEMBL_579852 (CHEMBL1063238)	Inhibition of CYP2B6
50030447	6	ChEMBL_579849 (CHEMBL1062388)	Inhibition of CYP2C8
50030447	8	ChEMBL_579865 (CHEMBL1063251)	Inhibition of thrombin
50030447	9	ChEMBL_579867 (CHEMBL1063253)	Inhibition of activated protein C
50030447	10	ChEMBL_579868 (CHEMBL1063254)	Inhibition of u-PA
50030447	11	ChEMBL_579869 (CHEMBL1063255)	Inhibition of plasmin
50030447	12	ChEMBL_579870 (CHEMBL1063256)	Inhibition of t-PA
50030447	15	ChEMBL_579846 (CHEMBL1062385)	Activity at PXR
50030447	16	ChEMBL_579878 (CHEMBL1063264)	Inhibition of human ERG
50030447	17	ChEMBL_579847 (CHEMBL1062386)	Inhibition of CYP2C19 in human TC5 cells
50030447	18	ChEMBL_579855 (CHEMBL1063241)	Inhibition of CYP2C9 in human TC5 cells
50030447	19	ChEMBL_579848 (CHEMBL1062387)	Inhibition of CYP2D6 in human TC5 cells
50030448	1	ChEMBL_577393 (CHEMBL1056245)	Inhibition of stearoyl-CoA desaturase 1 in mouse microsome assessed as conversion of [14C]stearate to [14C]oleate
50030448	2	ChEMBL_577394 (CHEMBL1056246)	Inhibition of stearoyl-CoA desaturase 1 in human microsome assessed as conversion of [14C]stearate to [14C]oleate
50047767	1	ChEMBL_1591131 (CHEMBL3829201)	Agonist activity at human TLR8 expressed in HEK293 cells incubated for 6 hrs by luciferase reporter gene assay
50047767	2	ChEMBL_1591130 (CHEMBL3829200)	Agonist activity at human TLR7 expressed in HEK293 cells incubated for 6 hrs by luciferase reporter gene assay
50047767	3	ChEMBL_1591133 (CHEMBL3829203)	Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs
50047767	4	ChEMBL_1591135 (CHEMBL3829205)	Agonist activity at TLR7 in human PBMC assessed as induction of IL-6 secretion in supernatant after 18 hrs
50047768	1	ChEMBL_1591150 (CHEMBL3829220)	Inhibition of human recombinant farnesyltransferase using farnesylpyrophosphate and dansyl-GCVLS as substrate measured for 15 mins by fluorescence assay
50047769	1	ChEMBL_1591273 (CHEMBL3829806)	Inhibition of human thrombin using Cbz-Gly-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis
50047769	2	ChEMBL_1591179 (CHEMBL3829339)	Inhibition of human matriptase using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis
50047769	3	ChEMBL_1591272 (CHEMBL3829805)	Inhibition of human matriptase-2 transfected in HEK cells using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis
50047769	4	ChEMBL_1591276 (CHEMBL3829809)	Inhibition of bovine thrombin using BANA/BPVANA as substrate after 15 to 40 mins
50047769	5	ChEMBL_1591275 (CHEMBL3829808)	Inhibition of human trypsin using Boc-Gln-Ala-Arg-AMC as substrate after 20 mins by fluorimetric analysis
50047769	6	ChEMBL_1591274 (CHEMBL3829807)	Inhibition of bovine factor 10a using Boc-Ile-Glu-Gly-Arg-AMC as substrate after 20 mins by fluorimetric analysis
50047770	1	ChEMBL_1591302 (CHEMBL3829948)	Antagonist activity at GAL4 DBD-fused androgen receptor LBD (unknown origin) transfected in UAS-bla GripTite 293 cells assessed as inhibition of R1881-induced receptor activation after 16 to 24 hrs by beta-lactamase reporter gene assay
50047771	1	ChEMBL_1589175 (CHEMBL3829830)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by substrate addition by Ellman's method
50047771	2	ChEMBL_1589180 (CHEMBL3829835)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition by Ellman's method
50047771	3	ChEMBL_1589178 (CHEMBL3829833)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50047771	4	ChEMBL_1589176 (CHEMBL3829831)	Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by scintillation counting method
50047771	5	ChEMBL_1589179 (CHEMBL3829834)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50047771	6	ChEMBL_1589177 (CHEMBL3829832)	Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method
50030451	1	ChEMBL_582103 (CHEMBL1061614)	Inhibition of maltose binding protein-fused human V-ATPase subunit B2 binding to F-actin
50030453	1	ChEMBL_580552 (CHEMBL1053998)	Inhibition of PTP1B
50030453	2	ChEMBL_580553 (CHEMBL1053999)	Inhibition of TCPTP
50030453	3	ChEMBL_580554 (CHEMBL1054000)	Inhibition of LAR
50030454	1	ChEMBL_580596 (CHEMBL1054042)	Inhibition of tyrosinase
50030456	1	ChEMBL_580787 (CHEMBL1059769)	Inhibition of bovine carboxypeptidase A1
50030456	2	ChEMBL_580786 (CHEMBL1059768)	Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system
50030456	3	ChEMBL_580862 (CHEMBL1064194)	Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system
50030457	1	ChEMBL_581189 (CHEMBL1059785)	Inhibition of human AChE by Ellman's assay
50030458	1	ChEMBL_581328 (CHEMBL1050978)	Antagonist activity at nAChR-alpha-6-beta-2 in Sprague-Dawley rat striatal slices assessed as inhibition of nicotine-evoked [3H]dopamine uptake by liquid beta-scintillation spectrometry
50030459	1	ChEMBL_581549 (CHEMBL1060748)	Inhibition of human EP3 receptor
50030459	2	ChEMBL_581550 (CHEMBL1060749)	Inhibition of human EP1 receptor
50030459	3	ChEMBL_581551 (CHEMBL1060750)	Inhibition of human EP4 receptor
50030459	4	ChEMBL_581552 (CHEMBL1060751)	Inhibition of human TP receptor
50030459	5	ChEMBL_581553 (CHEMBL1060752)	Inhibition of human FP receptor
50030459	6	ChEMBL_581554 (CHEMBL1060753)	Inhibition of human IP receptor
50030459	7	ChEMBL_581542 (CHEMBL1060741)	Inhibition of human DP receptor
50030460	1	ChEMBL_581699 (CHEMBL1058897)	Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain expressed in Escherichia coli after 20 mins by fluorescent plate reader assay
50030460	2	ChEMBL_581700 (CHEMBL1058898)	Inhibition of N-terminal 6xHis-tagged (378-566) catalytic domain of Cdc25B expressed in Escherichia coli after 20 mins by by fluorescent plate reader assay
50030462	1	ChEMBL_581719 (CHEMBL1058917)	Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C complex expressed in Escherichia coli by fluorescence polarization assay
50030463	1	ChEMBL_581832 (CHEMBL1064168)	Inhibition of rat FAAH incubated 3 hrs prior to addition of arachidonyl-amino-methyl-coumarin amide
50030463	2	ChEMBL_581833 (CHEMBL1064169)	Displacement of [3H]SR141716A from human CB1 receptor
50030463	3	ChEMBL_581834 (CHEMBL1064170)	Displacement of [3H]CP-55940 from human CB2 receptor
50030463	4	ChEMBL_581829 (CHEMBL1064165)	Inhibition of human FAAH incubated 1 hr prior to addition of arachidonyl-amino-methyl-coumarin amide
50030463	5	ChEMBL_581830 (CHEMBL1064166)	Inhibition of human FAAH incubated 3 hrs prior to addition of arachidonyl-amino-methyl-coumarin amide
50030463	6	ChEMBL_581831 (CHEMBL1064167)	Inhibition of rat FAAH incubated 1 hr prior to addition of arachidonyl-amino-methyl-coumarin amide
50030463	7	ChEMBL_581835 (CHEMBL1064171)	Inhibition of FAAH
50030464	1	ChEMBL_581929 (CHEMBL1054110)	Inhibition of human ERG
50030464	2	ChEMBL_581931 (CHEMBL1054112)	Inhibition of human endogenous DPP4 in presence of 50% human serum
50030464	3	ChEMBL_581933 (CHEMBL1054114)	Inhibition of CYP2D6
50030464	4	ChEMBL_581942 (CHEMBL1058136)	Inhibition of C57BL/6N mouse DPP4
50030464	5	ChEMBL_581950 (CHEMBL1058144)	Inhibition of human DPP4 activity by continuous fluorometric assay
50030464	6	ChEMBL_581909 (CHEMBL1054090)	Inhibition of human recombinant DPP4
50030464	7	ChEMBL_581910 (CHEMBL1054091)	Inhibition of human recombinant QPP transfected in insect SF9 cells
50030464	8	ChEMBL_581911 (CHEMBL1054092)	Inhibition of human DPP8 expressed in baculovirus by continuous fluorescent assay
50030464	9	ChEMBL_581912 (CHEMBL1054093)	Inhibition of human DPP9 expressed in baculovirus by continuous fluorescent assay
50030465	1	ChEMBL_582072 (CHEMBL1060791)	Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins
50030465	2	ChEMBL_582073 (CHEMBL1060792)	Inhibition of SCD1 in human microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins
50030465	3	ChEMBL_582084 (CHEMBL1060803)	Inhibition of human SCD1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate
50030466	1	ChEMBL_582086 (CHEMBL1060805)	Inhibition of PARP1 in human HeLa cells by microplate scintillation counting
50030466	2	ChEMBL_582087 (CHEMBL1060806)	Inhibition of human PARP2 expressed in baculovirus system
50030467	1	ChEMBL_582093 (CHEMBL1061604)	Inhibition of ASIC3 by patch-clamp electrophysiology assay
50030468	1	ChEMBL_582198 (CHEMBL1059858)	Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite green colorimetric method
50030469	1	ChEMBL_582246 (CHEMBL1060814)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells overexpressing Ikr channel protein
50047771	7	ChEMBL_1589181 (CHEMBL3829836)	Inhibition of FAAH in rat brain membrane at pH 9 using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by scintillation counting method
50047771	8	ChEMBL_1589182 (CHEMBL3829837)	Inhibition of FAAH in rat brain membrane at pH 7.4 using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by scintillation counting method
50030469	3	ChEMBL_582239 (CHEMBL1059899)	Displacement of [125I]Tyr14-NC/OFQ from ORL1 receptor
50047771	9	ChEMBL_1589187 (CHEMBL3829960)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's method
50047771	10	ChEMBL_1589188 (CHEMBL3829961)	Inhibition of human serum BuChE using acetylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's method
50047772	1	ChEMBL_1589309 (CHEMBL3830439)	Inhibition of chymotrypsin like activity of 20S proteasome (unknown origin) using suc-leu-leu-val-tyr-AMC as substrate after 40 mins in presence of 100 nM copper by fluorescence assay
50030469	4	ChEMBL_582243 (CHEMBL1060811)	Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cells
50030469	5	ChEMBL_582244 (CHEMBL1060812)	Displacement of [3H]U69593 from human cloned kappa opioid receptor expressed in CHO cells
50047773	1	ChEMBL_1589340 (CHEMBL3830584)	Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells after 30 mins by TR-FRET assay
50030470	1	ChEMBL_582336 (CHEMBL1053400)	Inhibition of fibrinogen binding to alphavbeta3 integrin
50030470	2	ChEMBL_582347 (CHEMBL1053411)	Inhibition of fibrinogen binding to alpha2beta3a integrin
50030471	1	ChEMBL_582356 (CHEMBL1063393)	Inhibition of p38delta
50030471	2	ChEMBL_582354 (CHEMBL1063391)	Inhibition of p38beta
50030471	3	ChEMBL_582355 (CHEMBL1063392)	Inhibition of p38-gamma
50030471	4	ChEMBL_582357 (CHEMBL1063394)	Inhibition of JNK1
50030471	5	ChEMBL_582358 (CHEMBL1063395)	Inhibition of JNK2
50030471	6	ChEMBL_582359 (CHEMBL1063396)	Inhibition of JNK3
50030471	7	ChEMBL_582363 (CHEMBL1063400)	Inhibition of CYP3A4
50030471	8	ChEMBL_582364 (CHEMBL1063401)	Inhibition of CYP1A2
50030471	9	ChEMBL_582365 (CHEMBL1063402)	Inhibition of CYP2C9
50030471	10	ChEMBL_582366 (CHEMBL1063403)	Inhibition of CYP2C19
50030471	11	ChEMBL_582367 (CHEMBL1063404)	Inhibition of CYP2D6
50030471	12	ChEMBL_582351 (CHEMBL1053415)	Inhibition of human recombinant p38alpha assessed as phosphorylation of ATF2 by scintillation proximity assay
50030472	1	ChEMBL_582383 (CHEMBL1063420)	Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation counting
50030472	3	ChEMBL_582387 (CHEMBL1063424)	Allosteric antagonist activity at mGluR1 in Sprague-Dawley rat cerebellar granule cells assessed as accumulation of [3H]inositol phosphate by liquid scintillation counting
50047773	2	ChEMBL_1589341 (CHEMBL3830585)	Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6HisFlag-Tev-BRPF2 (551 to 673 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells after 30 mins by TR-FRET assay
50047773	3	ChEMBL_1589342 (CHEMBL3830586)	Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6HisFlag-Tev-BRPF3 (579 to 706 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells after 30 mins by TR-FRET assay
50047773	4	ChEMBL_1589347 (CHEMBL3830591)	Inhibition of human BRPF1 by BROMOscan assay
50047773	5	ChEMBL_1589348 (CHEMBL3830592)	Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with histone H3.3-HaloTag using furimazine as substrate after 18 hrs by NanoBRET assay
50047773	6	ChEMBL_1589349 (CHEMBL3830593)	Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay
50047774	1	ChEMBL_1589660 (CHEMBL3829689)	Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene assay
50047774	2	ChEMBL_1589659 (CHEMBL3829688)	Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647 tracer by FRET assay
50047774	3	ChEMBL_1589671 (CHEMBL3829700)	Binding affinity to human CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) by reporter probe displacement assay
50030475	1	ChEMBL_582502 (CHEMBL1060835)	Inhibition of DPP4
50030475	2	ChEMBL_582509 (CHEMBL1060842)	Inhibition of CYP2D6 in human liver microsomes by mass spectrometry
50030475	3	ChEMBL_582505 (CHEMBL1060838)	Inhibition of DPP7
50030475	4	ChEMBL_582504 (CHEMBL1060837)	Inhibition of human recombinant DPP9
50030475	5	ChEMBL_582503 (CHEMBL1060836)	Inhibition of human recombinant DPP8
50030476	1	ChEMBL_582526 (CHEMBL1060859)	Displacement of [125I]PE2I from rat DAT
50030477	1	ChEMBL_582534 (CHEMBL1060867)	Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1
50030477	2	ChEMBL_582535 (CHEMBL1060868)	Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production after 30 mins by scintillation proximity assay
50030477	3	ChEMBL_582536 (CHEMBL1060869)	Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production after 30 mins by scintillation proximity assay in presence of 50% human serum
50030478	1	ChEMBL_582553 (CHEMBL1061649)	Inhibition of human sputum neutrophil elastase by fluorescence based assay
50030479	1	ChEMBL_582618 (CHEMBL1054181)	Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells by competitive binding assay
50030479	2	ChEMBL_582620 (CHEMBL1054183)	Agonist activity at rat ORL1 receptor expressed in african green monkey COS7 cells assessed as stimulation of [35S]GTPgammaS binding by radioligand receptor-binding assay
50047775	1	ChEBML_1589775	Agonist activity at GPR84 (unknown origin) expressed in HEK293 cells coexpressing Galpha16 protein by Fluo-4 AM dye based calcium mobilization assay
50047775	8	ChEBML_1589775	Agonist activity at GPR84 (unknown origin) expressed in HEK293 cells coexpressing Galpha16 protein by Fluo-4 AM dye based calcium mobilization assay
50047775	15	ChEMBL_1589775 (CHEMBL3830327)	Agonist activity at GPR84 (unknown origin) expressed in HEK293 cells coexpressing Galpha16 protein by Fluo-4 AM dye based calcium mobilization assay
50030480	4	ChEMBL_582683 (CHEMBL1051057)	Binding affinity to human prostaglandin D2 receptor
50030480	5	ChEMBL_582684 (CHEMBL1051058)	Binding affinity to human thromboxane A2 receptor
50030480	6	ChEMBL_582685 (CHEMBL1051059)	Inhibition of ovine COX1
50030480	7	ChEMBL_582686 (CHEMBL1051060)	Inhibition of human COX2
50047775	21	ChEMBL_1589783 (CHEMBL3830335)	Agonist activity at GPR119 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay
50047775	20	ChEMBL_1589785 (CHEMBL3830337)	Agonist activity at GPR120 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay
50047775	17	ChEMBL_1589779 (CHEMBL3830331)	Agonist activity at GPR40 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay
50030480	9	ChEMBL_582704 (CHEMBL1051801)	Antagonist activity against prostaglandin E2 receptor
50030480	10	ChEMBL_582683 (CHEMBL1051057)	Binding affinity to human prostaglandin D2 receptor
50030480	11	ChEMBL_582705 (CHEMBL1051802)	Antagonist activity against prostaglandin E3 receptor
50030480	12	ChEMBL_582706 (CHEMBL1051803)	Antagonist activity against prostaglandin E4 receptor
50030480	13	ChEMBL_582707 (CHEMBL1051804)	Antagonist activity against prostaglandin F receptor
50030480	14	ChEMBL_582684 (CHEMBL1051058)	Binding affinity to human thromboxane A2 receptor
50030480	15	ChEMBL_582708 (CHEMBL1054970)	Inhibition of CCKalpha receptor
50030480	17	ChEMBL_582710 (CHEMBL1054972)	Antagonist activity against mouse CRTh2 receptor expressed in K562 cells by [35S]GTPgamma binding assay
50030480	18	ChEMBL_582711 (CHEMBL1054973)	Inhibition of CYP1A2
50030480	19	ChEMBL_582712 (CHEMBL1054974)	Inhibition of CYP2C9
50030480	20	ChEMBL_582713 (CHEMBL1054975)	Inhibition of CYP2C19
50030480	21	ChEMBL_580451 (CHEMBL1052478)	Inhibition of CYP2D6
50030480	22	ChEMBL_580452 (CHEMBL1052479)	Inhibition of CYP3A4
50030481	1	ChEMBL_580463 (CHEMBL1052490)	Antagonist activity at androgen receptor in human MDA-kb2 cells assessed as inhibition of DHT-induced luciferase activity by luciferase reporter gene assay
50047775	16	ChEMBL_1589778 (CHEMBL3830330)	Agonist activity at GPR84 (unknown origin) expressed in in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forskolin addition measured after 30 mins by HTRF assay
50047775	19	ChEMBL_1589790 (CHEMBL3830342)	Agonist activity at human GPR84 fused with bovine Galphai1 protein expressed in baculovirus infected sf9 cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay
50047775	18	ChEMBL_1589781 (CHEMBL3830333)	Agonist activity at GPR41 (unknown origin) by Fluo-4 AM dye based calcium mobilization assay
50047776	1	ChEMBL_1589999 (CHEMBL3828885)	Agonist activity at full length human PPAR-alpha transfected in human HepG2 cells by luciferase reporter gene assay
50047776	2	ChEMBL_1590000 (CHEMBL3828886)	Agonist activity at full length human PPAR-gamma transfected in human HepG2 cells by luciferase reporter gene assay
50047776	3	ChEMBL_1589943 (CHEMBL3830933)	Agonist activity at mouse PPAR-alpha
50047776	4	ChEMBL_1589944 (CHEMBL3830934)	Agonist activity at rat PPAR-alpha
50047776	5	ChEMBL_1589791 (CHEMBL3830343)	Agonist activity at Gal4-tagged human PPAR-alpha expressed in HEK cells by transactivation assay
50047776	6	ChEMBL_1589945 (CHEMBL3830935)	Agonist activity at human PPAR-delta by transactivation assay
50047776	7	ChEMBL_1589946 (CHEMBL3830936)	Agonist activity at human LXR by transactivation assay
50047776	8	ChEMBL_1589947 (CHEMBL3830937)	Agonist activity at human GR by transactivation assay
50047776	9	ChEMBL_1589948 (CHEMBL3830938)	Agonist activity at human RXR by transactivation assay
50047776	10	ChEMBL_1589958 (CHEMBL3831047)	Inhibition of CYP3A4 (unknown origin)
50047776	11	ChEMBL_1589959 (CHEMBL3831048)	Inhibition of CYP1A2 (unknown origin)
50047776	12	ChEMBL_1589960 (CHEMBL3831049)	Inhibition of CYP2B6 (unknown origin)
50047776	13	ChEMBL_1589962 (CHEMBL3831051)	Inhibition of CYP2C8 (unknown origin)
50047776	14	ChEMBL_1589963 (CHEMBL3831052)	Inhibition of CYP2C9 (unknown origin)
50030483	1	ChEMBL_580516 (CHEMBL1053230)	Displacement of [3H]imipramine from human serotonin transporter expressed in CHO cell membrane by scintillation counting
50030483	2	ChEMBL_580515 (CHEMBL1053229)	Displacement of [35S]MK499 from human ERG potassium channel expressed in HEK293 cells
50030483	3	ChEMBL_580520 (CHEMBL1053234)	Antagonist activity at human neuropeptide Y4 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50030483	4	ChEMBL_580519 (CHEMBL1053233)	Antagonist activity at human neuropeptide Y2 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50030483	5	ChEMBL_580518 (CHEMBL1053232)	Antagonist activity at human neuropeptide Y1 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50030483	6	ChEMBL_580514 (CHEMBL1053228)	Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting
50030483	7	ChEMBL_580521 (CHEMBL1053235)	Antagonist activity at mouse neuropeptide Y5 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50030484	1	ChEMBL_580685 (CHEMBL1057208)	Inhibition of ROS1 by HotSpot assay relative to control
50030485	1	ChEMBL_580796 (CHEMBL1059778)	Displacement of [125I]Tyr14-nociceptin from human ORL1 receptor expressed in CHO cells
50030485	2	ChEMBL_580798 (CHEMBL1059780)	Antagonist activity at human cloned ORL1 receptor expressed in CHO cells assessed as inhibition of nociceptin/orphanin FQ-stimulated [35S]GTPgammaS binding
50030485	3	ChEMBL_580799 (CHEMBL1059781)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells overexpressing Ikr channel protein
50030486	1	ChEMBL_580807 (CHEMBL1061585)	Inhibition of AKT1 by FRET based assay
50030486	2	ChEMBL_580808 (CHEMBL1061586)	Inhibition of AKT2 by FRET based assay
50030486	3	ChEMBL_580809 (CHEMBL1061587)	Inhibition of AKT3 by FRET based assay
50030487	1	ChEMBL_580847 (CHEMBL1062413)	Displacement of [3H]methyltrienolone from androgen receptor in human MDA-MB-453 cells
50030487	2	ChEMBL_580848 (CHEMBL1064180)	Agonist activity at androgen receptor in human MDA-MB-453 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene by luciferase transactivation assay
50030487	3	ChEMBL_580850 (CHEMBL1064182)	Binding affinity to human ERG potassium channel
50030487	4	ChEMBL_580844 (CHEMBL1062410)	Inhibition of glucocorticoid receptor
50030487	5	ChEMBL_580854 (CHEMBL1064186)	Inhibition of mineralocorticoid receptor
50030487	6	ChEMBL_580855 (CHEMBL1064187)	Inhibition of progesterone receptor
50030487	7	ChEMBL_580856 (CHEMBL1064188)	Inhibition of estrogen receptor
50030488	1	ChEMBL_580930 (CHEMBL1054895)	Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry
50047776	15	ChEMBL_1589964 (CHEMBL3831053)	Inhibition of CYP2C19 (unknown origin)
50047776	16	ChEMBL_1589965 (CHEMBL3831054)	Inhibition of CYP2D6 (unknown origin)
50047776	17	ChEMBL_1589968 (CHEMBL3831057)	Inhibition of CYP2C19 in human TC5 cells
50047776	18	ChEMBL_1589969 (CHEMBL3831058)	Inhibition of CYP2C9 in human TC5 cells
50047776	19	ChEMBL_1589970 (CHEMBL3831059)	Inhibition of CYP2D6 in human TC5 cells
50047776	20	ChEMBL_1589971 (CHEMBL3831060)	Inhibition of CYP3A4 in human TC5 cells
50047776	21	ChEMBL_1589972 (CHEMBL3831061)	Inhibition of human ERG by flux-based assay
50047776	22	ChEMBL_1589795 (CHEMBL3830347)	Binding affinity to human GST-tagged PPAR-gamma LBD expressed in Escherichia coli BL21 after 30 mins in presence of fluorescein ligand FLA-A by fluorescence polarization assay
50047776	23	ChEMBL_1589794 (CHEMBL3830346)	Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FLA-A by fluorescence polarization assay
50047776	24	ChEMBL_1589792 (CHEMBL3830344)	Agonist activity at Gal4-tagged human PPAR-gamma expressed in HEK cells by transactivation assay
50030490	1	ChEMBL_580953 (CHEMBL1054918)	Inhibition of 17-alpha-hydroxylase activity of rat testicular microsomal P450-17alpha
50030490	2	ChEMBL_580952 (CHEMBL1054917)	Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha
50030490	3	ChEMBL_580955 (CHEMBL1054920)	Inhibition of aromatase
50047777	1	ChEMBL_1590133 (CHEMBL3829401)	Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells assessed as compound/protein/FITC-labeled loop C of ANRIL ternary complex formation by fluorescence anisotropy assay
50047777	2	ChEMBL_1590123 (CHEMBL3829391)	Binding affinity to 15N-labeled CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells by HSQC/NMR titration
50047777	3	ChEMBL_1590117 (CHEMBL3829385)	Binding affinity to CBX7ChD (7 to 66 residues) (unknown origin) expressed in RIPL-BL21 (DE3)-CodonPlus competent cells in presence of FITC-labeled SETDB1-K1170me3/H3K27me3/ANRIL-LoopC RNA by fluorescence anisotropy assay
50047778	1	ChEMBL_1590269 (CHEMBL3830047)	Inhibition of recombinant human VEGFR2 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50030491	3	ChEMBL_580961 (CHEMBL1054926)	Displacement of [3H]PGD2 from prostaglandin D1 receptor in human platelet membrane
50030491	4	ChEMBL_580962 (CHEMBL1054927)	Displacement of [3H]SQ-29548 from thromboxane receptor in human platelet membrane
50030491	5	ChEMBL_580963 (CHEMBL1054928)	Displacement of [3H]iloprost from human prostacyclin receptor expressed in human 293 cell membrane
50030491	6	ChEMBL_580964 (CHEMBL1054929)	Inhibition of human CYP3A4
50030491	7	ChEMBL_580965 (CHEMBL1054930)	Inhibition of human CYP2C9
50030491	8	ChEMBL_580966 (CHEMBL1054931)	Inhibition of human CYP2D6
50030492	1	ChEMBL_580972 (CHEMBL1054937)	Inhibition of ACAT in Japanese White rabbit liver microsomes
50030493	1	ChEMBL_580986 (CHEMBL1057274)	Inhibition of human recombinant GST-fusion DYRK1A expressed in Escherichia coli
50030493	2	ChEMBL_580987 (CHEMBL1057275)	Inhibition of human recombinant CDK5/P25 by scintillation counting
50030494	1	ChEMBL_580990 (CHEMBL1057278)	Displacement of [125I]MCH from human MCH1 receptor
50030494	2	ChEMBL_580989 (CHEMBL1057277)	Antagonist activity at human MCH1 receptor expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium level by FLIPR assay
50030495	1	ChEMBL_581598 (CHEMBL1062485)	Inhibition of CYP2D6
50030495	2	ChEMBL_581595 (CHEMBL1062482)	Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assay
50030495	3	ChEMBL_581593 (CHEMBL1062480)	Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay
50030495	4	ChEMBL_581592 (CHEMBL1062479)	Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assay
50030495	5	ChEMBL_581596 (CHEMBL1062483)	Displacement of [3H]dofetilide from human ERG
50030495	6	ChEMBL_581627 (CHEMBL1063376)	Binding affinity to human muscarinic M4 receptor
50030495	7	ChEMBL_581628 (CHEMBL1063377)	Binding affinity to human muscarinic M5 receptor
50030495	8	ChEMBL_581612 (CHEMBL1062499)	Inhibition of CYP1A2
50030495	9	ChEMBL_581613 (CHEMBL1062500)	Inhibition of CYP2C9
50030495	10	ChEMBL_581614 (CHEMBL1062501)	Inhibition of CYP2C19
50030495	11	ChEMBL_581615 (CHEMBL1062502)	Inhibition of CYP3A4 using felodipine as substrate
50030495	12	ChEMBL_581616 (CHEMBL1062503)	Inhibition of CYP3A4 using midazolam as substrate
50030495	13	ChEMBL_581617 (CHEMBL1062504)	Inhibition of CYP3A4 using testosterone as substrate
50030495	14	ChEMBL_581625 (CHEMBL1063374)	Blockade of Nav1.5 sodium channel
50030495	15	ChEMBL_581626 (CHEMBL1063375)	Binding affinity to rat NET expressed in HEK293 cells
50030496	1	ChEMBL_581773 (CHEMBL1061560)	Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production
50030496	2	ChEMBL_581771 (CHEMBL1061558)	Inhibition of MK2
50030496	3	ChEMBL_581772 (CHEMBL1061559)	Inhibition of CDK2
50030497	1	ChEMBL_581790 (CHEMBL1061577)	Antagonist activity against human cloned muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR
50030497	2	ChEMBL_581791 (CHEMBL1061578)	Antagonist activity against human cloned muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR
50030497	3	ChEMBL_581789 (CHEMBL1061576)	Antagonist activity against human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR
50030498	1	ChEMBL_581801 (CHEMBL1063346)	Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production
50030498	2	ChEMBL_581799 (CHEMBL1063344)	Inhibition of MK2
50030498	3	ChEMBL_581800 (CHEMBL1063345)	Inhibition of CDK2
50047778	2	ChEMBL_1590280 (CHEMBL3830172)	Inhibition of recombinant human FGFR2 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	3	ChEMBL_1590281 (CHEMBL3830173)	Inhibition of recombinant human FGFR3 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	4	ChEMBL_1590282 (CHEMBL3830174)	Inhibition of recombinant human FGFR4 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	5	ChEMBL_1590283 (CHEMBL3830175)	Inhibition of recombinant human EGFR using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	6	ChEMBL_1590284 (CHEMBL3830176)	Inhibition of recombinant human ErbB2 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	7	ChEMBL_1590285 (CHEMBL3830177)	Inhibition of recombinant human PDGFRalpha using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50030500	1	ChEMBL_581404 (CHEMBL1053311)	Inhibition of human recombinant SIRT1 by fluorimetric analysis
50030501	1	ChEMBL_581434 (CHEMBL1055678)	Displacement of [3H]U69493 from Hartley guinea pig kappa opioid receptor by liquid scintillation counter
50030501	2	ChEMBL_581432 (CHEMBL1055676)	Displacement of [3H]DAMGO from Hartley guinea pig mu opioid receptor by liquid scintillation counter
50030502	1	ChEMBL_581443 (CHEMBL1055687)	Inhibition of mouse CCR3
50030502	2	ChEMBL_581446 (CHEMBL1055690)	Inhibition of CYP2D6
50030502	3	ChEMBL_581435 (CHEMBL1055679)	Antagonist activity at human CCR3 expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium flux
50047778	8	ChEMBL_1590286 (CHEMBL3830178)	Inhibition of recombinant human PDGFRbeta using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50030503	1	ChEMBL_581463 (CHEMBL1055707)	Inhibition of human 11beta-HSD1 expressed in Sf9 cells by scintillation proximity assay
50030503	2	ChEMBL_581464 (CHEMBL1055708)	Inhibition of mouse 11beta-HSD1 by scintillation proximity assay
50030504	1	ChEMBL_581466 (CHEMBL1055710)	Inhibition of MMP13
50030504	2	ChEMBL_581467 (CHEMBL1055711)	Inhibition of MMP2
50047778	9	ChEMBL_1590287 (CHEMBL3830179)	Inhibition of recombinant human c-Met using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	10	ChEMBL_1590288 (CHEMBL3830180)	Inhibition of recombinant human Flt1 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	11	ChEMBL_1590289 (CHEMBL3830181)	Inhibition of recombinant human Flt3 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	12	ChEMBL_1590290 (CHEMBL3830182)	Inhibition of recombinant human RET using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	13	ChEMBL_1590291 (CHEMBL3830183)	Inhibition of recombinant human c-Src using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	14	ChEMBL_1590292 (CHEMBL3830184)	Inhibition of recombinant human Bcr-Abl using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	15	ChEMBL_1590293 (CHEMBL3830185)	Inhibition of recombinant human EPHA2 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50047778	16	ChEMBL_1590308 (CHEMBL3830200)	Inhibition of recombinant human FGFR4
50047778	17	ChEMBL_1590266 (CHEMBL3830044)	Inhibition of recombinant human FGFR1 using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50030506	1	ChEMBL_582859 (CHEMBL1061695)	Inhibition of caspase 3 in human SK-N-SH cells assessed as accumulation of fluorogenic 7-amino-4-methyl coumarin by fluorometric assay
50030507	1	ChEMBL_582880 (CHEMBL1051861)	Inhibition of human CDK2/ Cyclin A catalytic subunit expressed in Sf9 insect cells assessed as histone H1 phosphorylation-associated depletion in ATP level by luminescence assay
50030507	2	ChEMBL_582879 (CHEMBL1051860)	Inhibition of human CDK4/ Cyclin D1 catalytic subunit expressed in Sf9 insect cells assessed as GST-RB152 fusion protein phosphorylation-associated depletion in ATP level by luminescence assay
50030509	1	ChEMBL_582956 (CHEMBL1055012)	Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50030509	2	ChEMBL_582957 (CHEMBL1055013)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50030509	3	ChEMBL_582960 (CHEMBL1055016)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction
50030509	4	ChEMBL_582961 (CHEMBL1055017)	Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contraction
50030510	1	ChEMBL_582984 (CHEMBL1051822)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting
50030510	2	ChEMBL_582986 (CHEMBL1051824)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp technique
50030510	3	ChEMBL_582987 (CHEMBL1051825)	Inhibition of recombinant CYP2D6 in presence of NADPH generating system
50030510	4	ChEMBL_582992 (CHEMBL1051830)	Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO Flp-In cells by liquid scintillation counting
50030510	5	ChEMBL_582981 (CHEMBL1051819)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting
50030510	6	ChEMBL_582982 (CHEMBL1051820)	Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting
50047779	1	ChEMBL_1590435 (CHEMBL3830805)	Inhibition of Bcl-2 (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay
50047779	2	ChEMBL_1590437 (CHEMBL3830807)	Inhibition of Bcl-XL (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay
50047780	1	ChEMBL_1590439 (CHEMBL3830809)	Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysis
50047780	2	ChEMBL_1590440 (CHEMBL3830810)	Inhibition of protease activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by Dixon plot analysis
50047781	1	ChEMBL_1590441 (CHEMBL3830811)	Inhibition of human 17-beta-HSD14 using estradiol as substrate after 15 mins by fluorimetric assay
50047782	1	ChEMBL_1590838 (CHEMBL3830222)	Inhibition of human Cdk2/cyclin A using histone H1 substrate after 30 mins by 33P-ATP filter-binding assay
50047782	2	ChEMBL_1590839 (CHEMBL3830223)	Inhibition of human Cdk9/T1 using YSPTSPSYSPTSPSYSPTSPKKK peptide as substrate after 30 mins by 33P-ATP filter-binding assay
50047783	1	ChEMBL_1590849 (CHEMBL3830233)	Agonist activity at FXR (unknown origin)
50047784	1	ChEMBL_1590872 (CHEMBL3830393)	Inhibition of human plasma BChE assessed as butyrylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by spectrophotometric method
50047784	2	ChEMBL_1590871 (CHEMBL3830392)	Inhibition of human AChE assessed as acetylthiocholine hydrolysis preincubated for 10 mins followed by addition of substrate measured after 2 mins by spectrophotometric method
50047785	1	ChEMBL_1590964 (CHEMBL3830722)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50047786	1	ChEMBL_1591001 (CHEMBL3830979)	Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	2	ChEMBL_1591003 (CHEMBL3830981)	Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50030511	3	ChEMBL_583046 (CHEMBL1056545)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells
50030511	4	ChEMBL_583048 (CHEMBL1056547)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50030511	5	ChEMBL_583051 (CHEMBL1056550)	Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay
50030511	6	ChEMBL_583050 (CHEMBL1056549)	Inhibition of human CYP2D6 by fluorescence-based assay
50030512	1	ChEMBL_583146 (CHEMBL1062525)	Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells
50030512	2	ChEMBL_583147 (CHEMBL1062526)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells
50030512	3	ChEMBL_583148 (CHEMBL1062527)	Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells
50030512	4	ChEMBL_583151 (CHEMBL1062530)	Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillation counting
50047786	3	ChEMBL_1591058 (CHEMBL3831143)	Inhibition of N-terminal GST-tagged and C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues ) expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	4	ChEMBL_1591059 (CHEMBL3831144)	Inhibition of N-terminal GST-tagged full length human recombinant HDAC5 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	5	ChEMBL_1591060 (CHEMBL3828937)	Inhibition of human recombinant HDAC6 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	6	ChEMBL_1591061 (CHEMBL3828938)	Inhibition of N-terminal GST-tagged human recombinant HDAC7 (518 to end residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	7	ChEMBL_1591062 (CHEMBL3828939)	Inhibition of C-terminal His-tagged full length human recombinant HDAC8 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	8	ChEMBL_1591063 (CHEMBL3828940)	Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	9	ChEMBL_1590996 (CHEMBL3830868)	Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate after 60 mins by fluorescence assay
50047786	10	ChEMBL_1591084 (CHEMBL3828961)	Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate preincubated for 3 hrs measured after 60 mins by fluorescence assay
50047786	11	ChEMBL_1591085 (CHEMBL3828962)	Inhibition full length human recombinant HDAC2 expressed in baculovirus coexpressed in fall armyworm Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate preincubated for 3 hrs measured after 60 mins by fluorescence assay
50047786	12	ChEMBL_1591086 (CHEMBL3828963)	Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptide as substrate preincubated for 3 hrs measured after 60 mins by fluorescence assay
50030514	1	ChEMBL_583253 (CHEMBL1055808)	Inverse agonist activity against human histamine H3 receptor by [35S]GTPgamma binding assay
50030514	2	ChEMBL_583252 (CHEMBL1055807)	Binding affinity to human histamine H3 receptor
50030514	3	ChEMBL_583250 (CHEMBL1055805)	Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane
50030515	1	ChEMBL_583354 (CHEMBL1053347)	Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear cell membrane
50030515	2	ChEMBL_583358 (CHEMBL1053351)	Inhibition of CYP2C9
50030515	3	ChEMBL_583357 (CHEMBL1053350)	Inhibition of CYP3A4
50030515	4	ChEMBL_583359 (CHEMBL1053352)	Inhibition of CYP2D6
50030515	5	ChEMBL_583360 (CHEMBL1053353)	Inhibition of CYP1A2
50030515	6	ChEMBL_582716 (CHEMBL1054978)	Inhibition of CYP2C19
50030515	8	ChEMBL_582724 (CHEMBL1054986)	Agonist activity at human P2Y12 receptor
50030517	1	ChEMBL_582788 (CHEMBL1058192)	Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay
50030517	2	ChEMBL_582787 (CHEMBL1058191)	Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay
50030517	4	ChEMBL_582798 (CHEMBL1058202)	Inhibition of CYP2C9
50030517	5	ChEMBL_582799 (CHEMBL1058203)	Inhibition of CYP2C19
50030517	6	ChEMBL_582800 (CHEMBL1058985)	Inhibition of CYP2J2
50030517	3	ChEMBL_582789 (CHEMBL1058193)	Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid after 30 mins by ELISA
50047787	1	ChEMBL_1591092 (CHEMBL3829060)	Inhibition of IL6-induced STAT3 in human CAL33 cells
50030518	1	ChEMBL_582828 (CHEMBL1061664)	Inhibition of [3H]serotonin reuptake at serotonin transporter
50030518	2	ChEMBL_582829 (CHEMBL1061665)	Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter
50030518	3	ChEMBL_582830 (CHEMBL1061666)	Inhibition of [3H]dopamine reuptake at dopamine transporter
50030519	1	ChEMBL_585220 (CHEMBL1059198)	Inhibition of EGFR autophosphorylation in human A549 cells
50030520	1	ChEMBL_585481 (CHEMBL1059215)	Inhibition of MAOB
50030521	1	ChEMBL_585685 (CHEMBL1061807)	Inhibition of Plasmodium falciparum plasmepsin-1 in fluorescence microplate assay
50030521	2	ChEMBL_585686 (CHEMBL1061808)	Inhibition of Plasmodium falciparum plasmepsin-2 in fluorescence microplate assay
50030522	1	ChEMBL_585884 (CHEMBL1053555)	Inhibition of human HDAC1 by fluorimetry
50030522	2	ChEMBL_585885 (CHEMBL1053556)	Inhibition of human HDAC2 by fluorimetry
50030522	3	ChEMBL_585886 (CHEMBL1053557)	Inhibition of human HDAC3 by fluorimetry
50030522	4	ChEMBL_585887 (CHEMBL1053558)	Inhibition of human HDAC4 by fluorimetry
50030522	5	ChEMBL_585888 (CHEMBL1053559)	Inhibition of human HDAC5 by fluorimetry
50030522	6	ChEMBL_585889 (CHEMBL1053560)	Inhibition of human HDAC6 by fluorimetry
50030522	7	ChEMBL_585890 (CHEMBL1053561)	Inhibition of human HDAC7 by fluorimetry
50030522	8	ChEMBL_585891 (CHEMBL1053562)	Inhibition of human HDAC8 by fluorimetry
50030522	9	ChEMBL_585892 (CHEMBL1053563)	Inhibition of human HDAC9 by fluorimetry
50030522	10	ChEMBL_585893 (CHEMBL1053564)	Inhibition of human HDAC10 by fluorimetry
50030522	11	ChEMBL_585894 (CHEMBL1053565)	Inhibition of human HDAC11 by fluorimetry
50030523	1	ChEMBL_585944 (CHEMBL1056799)	Inhibition of Plasmodium falciparum plasmepsin-2
50030524	1	ChEMBL_586023 (CHEMBL1063580)	Inhibition of p38alpha by spectrophotometric coupled enzyme assay
50030524	2	ChEMBL_586025 (CHEMBL1063582)	Inhibition of JNK2
50030524	3	ChEMBL_586022 (CHEMBL1063579)	Inhibition of JNK3 by spectrophotometric coupled enzyme assay
50030524	4	ChEMBL_586026 (CHEMBL1063583)	Inhibition of JNK1
50030524	5	ChEMBL_586029 (CHEMBL1063586)	Inhibition of FLT3
50030524	6	ChEMBL_586037 (CHEMBL1063594)	Inhibition of Tie2
50030524	7	ChEMBL_586024 (CHEMBL1063581)	Inhibition of ERK2 by spectrophotometric coupled enzyme assay
50030524	8	ChEMBL_586027 (CHEMBL1063584)	Inhibition of AKT3
50030524	9	ChEMBL_586028 (CHEMBL1063585)	Inhibition of CDK2
50030524	10	ChEMBL_586030 (CHEMBL1063587)	Inhibition of GSK3-beta
50030524	11	ChEMBL_586031 (CHEMBL1063588)	Inhibition of JAK3
50030524	12	ChEMBL_586032 (CHEMBL1063589)	Inhibition of LCK
50030524	13	ChEMBL_586033 (CHEMBL1063590)	Inhibition of PDK1
50030524	14	ChEMBL_586034 (CHEMBL1063591)	Inhibition of ROCK1
50030524	15	ChEMBL_586035 (CHEMBL1063592)	Inhibition of Src
50030524	16	ChEMBL_586036 (CHEMBL1063593)	Inhibition of SYK
50030525	1	ChEMBL_586038 (CHEMBL1063595)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells by liquid scintillation counting
50030525	3	ChEMBL_586040 (CHEMBL1063597)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting
50030526	1	ChEMBL_586070 (CHEMBL1051186)	Binding affinity to histidine tagged KIX domain of CREB-binding protein by fluorescence polarization assay
50030527	1	ChEMBL_586172 (CHEMBL1052737)	Activity at human ERalpha expressed in HEC1 cells co-transfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter assay
50030527	2	ChEMBL_586173 (CHEMBL1052738)	Activity at human ERbeta expressed in HEC1 cells co-transfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter assay
50030528	1	ChEMBL_586175 (CHEMBL1052740)	Agonist activity at Vibrio harveyi BB170 LuxP assessed as inhibition of autoinducer-2-induced quorum sensing after 5 hrs by luminescence assay
50030529	1	ChEMBL_583409 (CHEMBL1056610)	Inhibition of human recombinant Abl
50030529	2	ChEMBL_583405 (CHEMBL1056606)	Inhibition of human recombinant Src
50030530	1	ChEMBL_583543 (CHEMBL1059058)	Inhibition of Mycobacterium tuberculosis InhA
50030531	1	ChEMBL_583548 (CHEMBL1059063)	Inhibition of ovine COX1 by enzyme-immuno assay
50030531	2	ChEMBL_583549 (CHEMBL1059064)	Inhibition of ovine COX2 by enzyme-immuno assay
50030533	1	ChEMBL_583686 (CHEMBL1061732)	Inhibition of Cdc25A
50030533	2	ChEMBL_583689 (CHEMBL1061735)	Inhibition of PTP1B
50030533	3	ChEMBL_583690 (CHEMBL1061736)	Inhibition of YPTP1
50030533	4	ChEMBL_583685 (CHEMBL1061731)	Inhibition of GST-fused Cdc25B
50030534	1	ChEMBL_583691 (CHEMBL1061737)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release
50030534	2	ChEMBL_583693 (CHEMBL1061739)	Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay
50030535	1	ChEMBL_583695 (CHEMBL1061741)	Inhibition of human ERG expressed in CHO cells by patch-clamp assay
50030535	2	ChEMBL_583694 (CHEMBL1061740)	Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells
50030535	3	ChEMBL_583696 (CHEMBL1061742)	Inhibition of human recombinant CYP3A4 after 45 mins
50030536	2	ChEMBL_583892 (CHEMBL1059944)	Inhibition of human COX2 expressed in baculovirus-infected SF9 cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay
50047787	2	ChEMBL_1591093 (CHEMBL3829061)	Inhibition of IFNgamma-induced STAT1 (unknown origin)
50047788	1	ChEBML_1591199	Inhibition of porcine APN
50047788	2	ChEBML_1591201	Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis
50047788	3	ChEMBL_1591202 (CHEMBL3829451)	Inhibition of recombinant human ERAP2 using R-AMC as substrate measured for 15 to 30 mins by microplate fluorescence reader method
50047788	4	ChEBML_1591204	Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method
50047788	6	ChEBML_1591204	Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method
50030537	1	ChEMBL_583916 (CHEMBL1059968)	Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme immunoassay
50047788	5	ChEBML_1591201	Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis
50030539	1	ChEMBL_584028 (CHEMBL1055908)	Inhibition of human histamine H3 expressed in CHO cells by saturation binding experiment
50030539	2	ChEMBL_584029 (CHEMBL1055909)	Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50030539	3	ChEMBL_584033 (CHEMBL1055913)	Inhibition of CYP3A4
50030539	4	ChEMBL_584034 (CHEMBL1055914)	Inhibition of CYP2D6
50030539	5	ChEMBL_584035 (CHEMBL1055915)	Inhibition of CYP1A2
50030539	6	ChEMBL_584036 (CHEMBL1055916)	Inhibition of CYP2C9
50030539	7	ChEMBL_584037 (CHEMBL1055917)	Inhibition of CYP2C19
50030540	1	ChEMBL_584048 (CHEMBL1055928)	Displacement of human [125I]IL-8 from human CXCR1
50030540	2	ChEMBL_584049 (CHEMBL1055929)	Displacement of human [125I]IL-8 from human CXCR2
50030542	1	ChEMBL_584072 (CHEMBL1058313)	Activation of flag-tagged recombinant human liver glucokinase expressed in Escherichia coli assessed as glucose-6-phosphate dehydrogenase by spectrophotometry
50047788	7	ChEBML_1591204	Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method
50030544	1	ChEMBL_584091 (CHEMBL1058332)	Inhibition of pig heart fumarase
50030544	2	ChEMBL_584092 (CHEMBL1058333)	Inhibition of Escherichia coli aspartase
50030545	1	ChEMBL_584287 (CHEMBL1060003)	Inhibition of EphB2
50030545	2	ChEMBL_584285 (CHEMBL1060001)	Inhibition of ephrin-B1-induced autophosphorylation of EphB2 expressed in human U87 cells after 1 hr by Western blot analysis
50030546	1	ChEMBL_584291 (CHEMBL1060925)	Inhibition of PARP1 by microplate scintillation counting
50030546	2	ChEMBL_584292 (CHEMBL1060926)	Inhibition of PARP1 in human C41 cells by DAPI staining-based FITC analysis
50030547	1	ChEMBL_584299 (CHEMBL1060933)	Inhibition of CYP3A4
50030547	2	ChEMBL_584296 (CHEMBL1060930)	Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay
50030547	3	ChEMBL_584295 (CHEMBL1060929)	Inhibition of CYP2D6
50030547	4	ChEMBL_584294 (CHEMBL1060928)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay
50030547	5	ChEMBL_584293 (CHEMBL1060927)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay
50030547	6	ChEMBL_584297 (CHEMBL1060931)	Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay
50030548	1	ChEMBL_584430 (CHEMBL1056701)	Agonist activity at human PPARalpha expressed in african green monkey COS7 cells by Gal4 transactivation assay
50030548	2	ChEMBL_584432 (CHEMBL1056703)	Agonist activity at human PPARgamma expressed in african green monkey COS7 cells by Gal4 transactivation assay
50030548	3	ChEMBL_584431 (CHEMBL1056702)	Agonist activity at human PPARbeta expressed in african green monkey COS7 cells by Gal4 transactivation assay
50047788	8	ChEBML_1591201	Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis
50047789	1	ChEBML_1591351	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting
50047790	1	ChEBML_1591355	Inhibition of c-MET (unknown origin) by caliper mobility shift assay
50047791	1	ChEBML_1591366	Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	2	ChEBML_1591367	Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	3	ChEBML_1591368	Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	4	ChEBML_1591367	Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	5	ChEBML_1591366	Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	6	ChEBML_1591366	Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	7	ChEBML_1591368	Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	8	ChEBML_1591367	Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	9	ChEMBL_1591366 (CHEMBL3830275)	Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	10	ChEMBL_1591367 (CHEMBL3830276)	Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay
50047791	11	ChEMBL_1591368 (CHEMBL3830277)	Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay
50030552	2	ChEMBL_584606 (CHEMBL1059107)	Inhibition of human liver cathepsin D
50030553	1	ChEMBL_584608 (CHEMBL1059109)	Induction of SRC1 coactivator peptide binding to ligand binding domain of human FXR by FRET assay
50030553	2	ChEMBL_584610 (CHEMBL1059111)	Increase in human FXR-mediated transient transcription of luciferase reporter gene transfected in african green monkey CV1 cells
50030554	1	ChEMBL_584629 (CHEMBL1059130)	Inhibition of PLK1-mediated mitosis in human HeLaS3 cells after 18 hrs
50030554	2	ChEMBL_584627 (CHEMBL1059128)	Inhibition of PLK2
50030554	3	ChEMBL_584628 (CHEMBL1059129)	Inhibition of PLK3
50030554	4	ChEMBL_584622 (CHEMBL1059123)	Inhibition of PLK1
50047793	1	ChEMBL_1589200 (CHEMBL3829973)	Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured after 30 mins by Kinase-Glo luminescent kinase assay
50030556	1	ChEMBL_585089 (CHEMBL1054355)	Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells
50030556	2	ChEMBL_585090 (CHEMBL1054356)	Inhibition of dopachrome tautomerase activity of human recombinant MIF
50030556	3	ChEMBL_585091 (CHEMBL1054357)	Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA
50030557	1	ChEMBL_585095 (CHEMBL1054361)	Binding affinity to PR by fluorescence polarization based competition binding assay
50030557	2	ChEMBL_585096 (CHEMBL1054362)	Agonist activity at PR expressed in african green monkey CV-1 cells by luciferase reporter assay
50030557	3	ChEMBL_585109 (CHEMBL1059186)	Agonist activity at PR expressed in human T47D cells
50030557	4	ChEMBL_585097 (CHEMBL1054363)	Binding affinity to AR by fluorescence polarization based competition binding assay
50030557	5	ChEMBL_585098 (CHEMBL1054364)	Binding affinity to ERbeta by fluorescence polarization based competition binding assay
50030557	6	ChEMBL_585103 (CHEMBL1059180)	Binding affinity to GR by fluorescence polarization based competition binding assay
50030557	7	ChEMBL_585101 (CHEMBL1054367)	Agonist activity at MR expressed in african green monkey CV-1 cells by luciferase reporter assay
50030557	8	ChEMBL_585102 (CHEMBL1059179)	Antagonist activity at GR expressed in human A549 cell line
50030557	9	ChEMBL_585115 (CHEMBL1060004)	Binding affinity to MR by fluorescence polarization based competition binding assay
50030558	1	ChEMBL_585127 (CHEMBL1060016)	Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry
50030558	2	ChEMBL_585126 (CHEMBL1060015)	Displacement of [3H]WIN-55212-2 from human recombinant CB2 receptor expressed in CHOK1 cells by liquid scintillation spectrometry
50047794	1	ChEMBL_1589205 (CHEMBL3829978)	Inhibition of yeast alpha-glucosidase MAL12 using 4-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by microplate reader analysis
50047795	1	ChEMBL_1589207 (CHEMBL3829980)	Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay
50030560	1	ChEMBL_585133 (CHEMBL1060022)	Binding affinity to human recombinant P2Y12 receptor expressed in CHO cells
50030560	2	ChEMBL_585134 (CHEMBL1060023)	Antagonist activity at human P2Y12 receptor assessed as inhibition of ADP-induced platelet-rich plasma aggregation by turbidimetric method
50030560	3	ChEMBL_585275 (CHEMBL1061890)	Antagonist activity at human P2Y12 receptor assessed as inhibition of ADP-induced platelet-rich plasma aggregation by chronolog PRP aggregometry assay
50030561	1	ChEMBL_585344 (CHEMBL1054383)	Inhibition of purified recombinant human renin
50030561	2	ChEMBL_585498 (CHEMBL1059232)	Inhibition of rat renin
50030561	3	ChEMBL_585345 (CHEMBL1054384)	Inhibition of human plasma renin
50030561	4	ChEMBL_585497 (CHEMBL1059231)	Inhibition of bovine cathepsin D
50030562	1	ChEMBL_585509 (CHEMBL1060056)	Binding affinity to human CA9 catalytic domain by isothermal titration calorimetry
50030562	2	ChEMBL_585510 (CHEMBL1060057)	Binding affinity to HSA by isothermal titration calorimetry
50030562	3	ChEMBL_585511 (CHEMBL1060058)	Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate by colorimetry
50030562	4	ChEMBL_585512 (CHEMBL1060059)	Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate in presence of murine serum albumin by colorimetry
50030563	1	ChEMBL_585528 (CHEMBL1062692)	Agonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50030563	2	ChEMBL_585522 (CHEMBL1062686)	Binding affinity to progesterone receptor
50030563	3	ChEMBL_585577 (CHEMBL1062741)	Inhibition of human ERG by whole cell patch clamp assay
50030563	4	ChEMBL_585523 (CHEMBL1062687)	Binding affinity to androgen receptor
50030564	1	ChEMBL_585583 (CHEMBL1062747)	Inhibition of ALK5 assessed as inhibition of immobilized Smad3 phosphorylation
50047795	2	ChEMBL_1589208 (CHEMBL3829981)	Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay
50047796	1	ChEMBL_1589213 (CHEMBL3829986)	Inhibition of recombinant ADAM8 (unknown origin) expressed in African green monkey COS7 cells co-expressing CD23 assessed as inhibition of CD23 shedding after 24 hrs by ELISA
50047796	2	ChEMBL_1589214 (CHEMBL3829987)	Inhibition of ADAM8 (unknown origin) expressed in African green monkey COS7 cells co-expressing CD23 assessed as inhibition of CD23 shedding after 6 hrs by ELISA
50047797	1	ChEMBL_1589224 (CHEMBL3830117)	Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr by fluorescence polarization assay
50047797	2	ChEMBL_1589225 (CHEMBL3830118)	Inhibition of fluorescein-labeled probe binding to Bacillus anthracis N-terminal His-tagged DHPS incubated for 1 hr in presence of sodium pyrophosphate by fluorescence polarization assay
50047798	1	ChEMBL_1589518 (CHEMBL3829092)	Inhibition of human Keap1 kelch domain (Ala321 to Thr609 residues) binding to fluorescent labeled Nrf2 peptide preincubated for 15 mins followed by Nrf2 peptide addition measured after 30 mins by fluorescence polarization assay
50047799	1	ChEMBL_1589519 (CHEMBL3829093)	Inhibition of recombinant Staphylococcus aureus DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition
50047799	2	ChEMBL_1589520 (CHEMBL3829094)	Inhibition of recombinant Escherichia coli DHFR expressed in Escherichia coli BL21(DE3) cells assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition
50047799	3	ChEMBL_1589521 (CHEMBL3829095)	Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition
50047799	4	ChEMBL_1589549 (CHEMBL3829123)	Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate by fluorescence spectrophotometric analysis
50047799	5	ChEMBL_1589550 (CHEMBL3829124)	Inhibition of Staphylococcus aureus DHFR
50047799	6	ChEMBL_1589551 (CHEMBL3829125)	Inhibition of recombinant Escherichia coli DHFR
50047800	1	ChEBML_1589555	Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by addition of Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate measured after 1 hr
50033160	1	ChEBML_739577	Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay
50044784	4	ChEMBL_1436297 (CHEMBL3388378)	Non-competitive inhibition of mushroom tyrosinase
50044784	1	ChEMBL_1436301 (CHEMBL3388382)	Inhibition of tyrosinase in human HMV-2 melanoma cells after 5 mins by spectrophotometry
50044784	3	ChEBML_1436298	Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry
50044784	2	ChEBML_1436297	Non-competitive inhibition of mushroom tyrosinase
50046212	11	ChEBML_1447789	Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate
50046212	26	ChEBML_1448601	Inhibition of human c-KiT
50046212	5	ChEBML_1448598	Inhibition of human recombinant TIE2 using poly(Glu,Tyr) substrate
50046212	23	ChEBML_1448583	Inhibition of human recombinant Aurora B using Tetra(LRRWSLG) substrate
50046212	19	ChEBML_1447790	Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate
50046212	16	ChEBML_1448587	Inhibition of human recombinant COT
50046212	25	ChEBML_1448585	Inhibition of human recombinant CDK2/cyclin A using histone H1 substrate
50046212	1	ChEBML_1448590	Inhibition of human recombinant ERBB2 using poly(Glu,Tyr) substrate
50046212	17	ChEBML_1447791	Inhibition of human recombinant VEGFR3 using poly(Glu,Tyr) substrate
50046212	3	ChEBML_1448592	Inhibition of human recombinant IGF1R using poly(Glu,Tyr) substrate
50046212	20	ChEBML_1448589	Inhibition of human recombinant EPHB4 using poly(Glu,Tyr) substrate
50046212	10	ChEBML_1448596	Inhibition of human recombinant PLK1 using Casein substrate
50046212	12	ChEBML_1448579	Inhibition of human recombinant FLT3 using poly(Ala,Glu,Lys,Tyr) substrate
50046212	8	ChEBML_1448594	Inhibition of human recombinant INSR using poly(Ala,Glu,Lys,Tyr) substrate
50046212	13	ChEBML_1448580	Inhibition of human recombinant AKT1 using GSK3/14-27 substrate
50046212	21	ChEBML_1448600	Inhibition of methicillin-resistant Staphylococcus aureus pyruvate kinase by coupled lactate dehydrogenase continuous assay
50046212	22	ChEBML_1448582	Inhibition of human recombinant Aurora A using Tetra(LRRWSLG) substrate
50046212	24	ChEBML_1448584	Inhibition of human recombinant B-RAF-VE using MEK1 KM substrate
50046212	6	ChEBML_1448599	Inhibition of human recombinant CK2A1 using Casein substrate
50046212	4	ChEBML_1448597	Inhibition of human recombinant SAK
50046212	18	ChEBML_1448588	Inhibition of human recombinant EGFR using poly(Glu,Tyr) substrate
50046212	15	ChEBML_1448586	Inhibition of human recombinant CDK4/Cyclin D1 using b-CTF substrate
50046212	2	ChEBML_1448591	Inhibition of human recombinant FAK using poly(Glu,Tyr) substrate
50046212	9	ChEBML_1448595	Inhibition of human recombinant MET using poly(Ala,Glu,Lys,Tyr) substrate
50046212	7	ChEBML_1448593	Inhibition of human recombinant SRC using poly(Glu,Tyr) substrate
50046212	14	ChEBML_1448581	Inhibition of human recombinant ARK5
50047801	1	ChEMBL_1611890 (CHEMBL3853690)	Inhibition of beta-hexosaminidase alpha in human skin fibroblast lysate using 4-MU-N-acetyl-beta-D-glucosaminide-6-sulfate sodium salt as substrate assessed as 4-MU liberation by fluorescence assay
50047801	2	ChEMBL_1611891 (CHEMBL3853691)	Inhibition of beta-hexosaminidase alpha/beta in human skin fibroblast lysate using 4-MU-(2-acetamido-2-deoxy)-beta-D-glucopyranoside as substrate assessed as 4-MU liberation by fluorescence assay
50047802	1	ChEMBL_1612266 (CHEMBL3854066)	Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis
50047803	1	ChEBML_1612310	Inhibition of electric eel AChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by DTNB-based spectrophotometric analysis
50047803	2	ChEBML_1612309	Inhibition of equine serum BuChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by DTNB-based spectrophotometric analysis
50047803	3	ChEMBL_1612309 (CHEMBL3854109)	Inhibition of equine serum BuChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by DTNB-based spectrophotometric analysis
50047803	4	ChEMBL_1612310 (CHEMBL3854110)	Inhibition of electric eel AChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by DTNB-based spectrophotometric analysis
50047804	1	ChEMBL_1612345 (CHEMBL3854145)	Inhibition of BACE1 (unknown origin) assessed as cleavage of amyloid precursor protein by beta-galactosidase enzyme complementation assay
50047805	1	ChEMBL_1612369 (CHEMBL3854169)	Inhibition of LAT3 in human LNCAP cells assessed as inhibition of [3H]L-leucine uptake after 15 mins by liquid scintillation counting method
50047806	1	ChEMBL_1612400 (CHEMBL3854200)	Displacement of GST-tagged p300-CH1 domain (323 to 423 residues) from synthetic biotinylated HIF-1alpha C-TAD domain (786 to 826 residues) (unknown origin) measured after overnight incubation by fluorescence analysis
50047807	1	ChEMBL_1612421 (CHEMBL3854221)	Inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate in presence of NADPH by spectrophotometric analysis
50047807	2	ChEMBL_1612423 (CHEMBL3854223)	Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli using DL-glyceraldehyde as substrate by double reciprocal plot analysis
50047808	1	ChEMBL_1612441 (CHEMBL3854241)	Inhibition of PTP1B (unknown origin) using pNPP as substrate after 3 mins by colorimetric analysis
50047809	1	ChEMBL_1612476 (CHEMBL3854276)	Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay
50047810	1	ChEBML_1612509	Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	3	ChEBML_1612510	Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	4	ChEBML_1612509	Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	2	ChEBML_1612510	Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	5	ChEBML_1612510	Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	6	ChEBML_1612509	Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	7	ChEBML_1612510	Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	8	ChEMBL_1612510 (CHEMBL3854310)	Inhibition of His-tagged human HER2 (676 to 1255 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047810	9	ChEMBL_1612509 (CHEMBL3854309)	Inhibition of GST-tagged wild type recombinant human EGFR (668 to 1210 residues) expressed in baculovirus after 1 hr by Z-lyte assay
50047811	1	ChEBML_1612521	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047811	3	ChEMBL_1612521 (CHEMBL3854321)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50047811	2	ChEMBL_1612526 (CHEMBL3854326)	Inhibition of c-Met (unknown origin)
50047812	1	ChEMBL_1612584 (CHEMBL3854384)	Inhibition of human thrombin pre-incubated for 10 mins before Ac-FVR-AMC substrate addition and measured after 10 mins by fluorescence based assay
50047813	1	ChEMBL_1612612 (CHEMBL3854412)	Inhibition of recombinant ovine COX1 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay
50047813	2	ChEMBL_1612613 (CHEMBL3854413)	Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production from PGH2 by enzyme immunoassay
50047814	1	ChEMBL_1612658 (CHEMBL3854458)	Inhibition of His6-tagged recombinant Mycobacterium tuberculosis InhA expressed in protease-deficient Escherichia coli (BL21) using trans-2-dodecenoyl-coenzyme A as substrate assessed as NADH oxidation
50047815	1	ChEMBL_1612744 (CHEMBL3854544)	Inhibition of human HMGR catalytic domain using 800 uM HMG-CoA as substrate measured every 20 secs for 10 mins
50047816	1	ChEMBL_1612785 (CHEMBL3854585)	Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching method
50047817	1	ChEBML_1612830	Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis
50047817	2	ChEBML_1612809	Binding affinity to human recombinant N-terminal GST-tagged PKGalpha expressed in Baculovirus infected insect Sf9 cells using RKRSRAE as substrate in presence of [gamma-32P]ATP
50047817	3	ChEBML_1612834	Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE analysis
50047817	4	ChEBML_1612836	Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments in presence of Gbetagamma subunits and [gamma-32P]-ATP after 5 to 60 mins by SDS-PAGE analysis
50047817	5	ChEBML_1612837	Inhibition of recombinant human GRK5 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments in presence of Gbetagamma subunits and [gamma-32P]-ATP after 5 to 60 mins by SDS-PAGE analysis
50047817	6	ChEBML_1612831	Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis
50047817	7	ChEBML_1612808	Binding affinity to PKAalpha (unknown origin) using Lys-Arg-Thr-Leu-Arg-Arg as substrate after 8 mins in presence of [gamma-32P]ATP by liquid scintillation spectrometry
50047817	8	ChEBML_1612811	Binding affinity to PKCbeta2 (unknown origin) using Lys-Arg-Thr-Leu-Arg-Arg as substrate after 8 mins in presence of [gamma-32P]ATP by liquid scintillation spectrometry
50047817	27	ChEMBL_1612837 (CHEMBL3854637)	Inhibition of recombinant human GRK5 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments in presence of Gbetagamma subunits and [gamma-32P]-ATP after 5 to 60 mins by SDS-PAGE analysis
50047817	18	ChEMBL_1612810 (CHEMBL3854610)	Binding affinity to PKCalpha (unknown origin) using Lys-Arg-Thr-Leu-Arg-Arg as substrate after 8 mins in presence of [gamma-32P]ATP by liquid scintillation spectrometry
50047817	24	ChEMBL_1612807 (CHEMBL3854607)	Inhibition of bovine C-terminal truncated GRK5 (561 residues) assessed as decrease in phosphorylation of urea-washed bovine rod outer segments preincubated for 30 mins followed by ATP addition and light exposure measured after 5 to 10 mins by SDS-PAGE analysis
50047817	28	ChEMBL_1612836 (CHEMBL3854636)	Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments in presence of Gbetagamma subunits and [gamma-32P]-ATP after 5 to 60 mins by SDS-PAGE analysis
50047817	29	ChEMBL_1612830 (CHEMBL3854630)	Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis
50047817	30	ChEMBL_1612831 (CHEMBL3854631)	Inhibition of bovine GRK5 assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis
50047817	25	ChEMBL_1612828 (CHEMBL3854628)	Inhibition of recombinant full-length human N-terminal GST tagged PKCalpha expressed in Baculovirus infected Sf9 insect cells using KRREILSRRPSYR as substrate incubated for 30 mins by ADP-Glo assay
50047817	31	ChEMBL_1612834 (CHEMBL3854634)	Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE analysis
50047817	23	ChEMBL_1612804 (CHEMBL3854604)	Inhibition of bovine cerebral cortex GRK2 assessed as decrease in rhodopsin phosphorylation by SDS-PAGE analysis
50047817	26	ChEMBL_1612806 (CHEMBL3854606)	Inhibition of bovine C-terminal truncated GRK1 (535 residues) assessed as decrease in phosphorylation of urea-washed bovine rod outer segments preincubated for 30 mins followed by ATP addition and light exposure measured after 5 to 10 mins by SDS-PAGE analysis
50047817	22	ChEMBL_1612820 (CHEMBL3854620)	Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins followed by ATP addition
50047817	21	ChEMBL_1612821 (CHEMBL3854621)	Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins followed by ATP addition
50047817	19	ChEMBL_1612816 (CHEMBL3854616)	Inhibition of C-terminal hexahistidine tagged bovine GRK5 (561 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer segments preincubated for 30 mins followed by ATP addition
50047817	20	ChEMBL_1612815 (CHEMBL3854615)	Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer segments preincubated for 30 mins followed by ATP addition
50047818	1	ChEMBL_1612850 (CHEMBL3854650)	Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay
50047818	2	ChEMBL_1612846 (CHEMBL3854646)	Inhibition of C-terminal His6-tagged recombinant mouse DNA polymerase iota using poly(dA)/oligo(dT)18 and [3H]dTTP as template-primer and nucleotide substrate after 60 mins
50047818	3	ChEMBL_1612841 (CHEMBL3854641)	Inhibition of human DNA polymerase kappa (19 to 526 residues)-mediated TLS past acrolein derived ring-opened reduced form of gamma-HOPdG lesions preincubated for 15 mins followed by DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay
50047818	4	ChEMBL_1612839 (CHEMBL3854639)	Inhibition of human recombinant DNA polymerase eta expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2 to 6 mins by reporter-strand displacement assay
50047818	5	ChEMBL_1612844 (CHEMBL3854644)	Inhibition of human DNA polymerase iota preincubated for 15 mins followed by replicating non-damaged DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay
50047818	6	ChEMBL_1612840 (CHEMBL3854640)	Inhibition of human DNA polymerase kappa (19 to 526 residues) preincubated for 15 mins followed by replicating non-damaged DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay
50047818	7	ChEMBL_1612849 (CHEMBL3854649)	Binding affinity to monoubiquitinated PCNA derived from human GM04312 cells assessed as inhibition of interaction with His8-tagged DNA polymerase eta (551 to 713 residues) after 3 hrs by pull down assay
50047818	8	ChEMBL_1612851 (CHEMBL3854651)	Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based HTS assay
50047818	9	ChEMBL_1612848 (CHEMBL3854648)	Binding affinity to full length human PCNA expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with N-terminal 5-carboxyfluorescein-labeled PIP-box sequence peptide after 30 mins by fluorescence polarization assay
50047818	10	ChEMBL_1612845 (CHEMBL3854645)	Inhibition of C-terminal His6-tagged human DNA polymerase eta (1 to 511 residues) expressed in Escherichia coli using poly(dA)/oligo(dT)18 and [3H]dTTP as template-primer and nucleotide substrate after 60 mins
50047818	11	ChEMBL_1612843 (CHEMBL3854643)	Inhibition of human DNA polymerase eta (1 to 437 residues) preincubated for 15 mins followed by replicating non-damaged DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay
50047818	12	ChEMBL_1612847 (CHEMBL3854647)	Inhibition of C-terminal His6-tagged human DNA polymerase kappa (1 to 560 residues) expressed in Escherichia coli using poly(dA)/oligo(dT)18 and [3H]dTTP as template-primer and nucleotide substrate after 60 mins
50047818	13	ChEMBL_1612838 (CHEMBL3854638)	Inhibition of human recombinant DNA polymerase iota expressed in Baculovirus expression system using TAMRA/BHQ-2-labeled primer/template measured at 2 to 6 mins by reporter-strand displacement assay
50047819	1	ChEMBL_1612855 (CHEMBL3854655)	Inhibition of human factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	2	ChEMBL_1612854 (CHEMBL3854654)	Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydrolysis after 15 mins
50047819	3	ChEMBL_1612873 (CHEMBL3854673)	Inhibition of human recombinant tPA using methylsulfonyl-D-cyclohexylalanylGly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	4	ChEMBL_1612859 (CHEMBL3854659)	Inhibition of human HK1 using H-D-Val-Leu-Arg-AFC as substrate assessed as release of AFC after 10 to 120 mins by spectrofluorimetric method
50047819	5	ChEMBL_1612869 (CHEMBL3854669)	Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	6	ChEMBL_1612856 (CHEMBL3854656)	Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	7	ChEMBL_1612857 (CHEMBL3854657)	Inhibition of alpha-thrombin (unknown origin) using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	8	ChEMBL_1612874 (CHEMBL3854674)	Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	9	ChEMBL_1612872 (CHEMBL3854672)	Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	10	ChEMBL_1612870 (CHEMBL3854670)	Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	11	ChEMBL_1612868 (CHEMBL3854668)	Inhibition of human factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method
50047819	12	ChEMBL_1612867 (CHEMBL3854667)	Inhibition of human factor 9a using methylsulfonyl-D-cyclohexylglycyl-Gly-Arg-AMC as substrate assessed as release of AMC after 10 to 120 mins by spectrofluorimetric method
50047820	1	ChEMBL_1612909 (CHEMBL3854709)	Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins followed by incubation with PP2a for 60 mins measured 60 mins post okadaic acid/Cy5-labelled SAMS and ATP addition by TR-FRET assay
50047820	2	ChEMBL_1612911 (CHEMBL3854711)	Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay
50047820	3	ChEMBL_1612927 (CHEMBL3854727)	Activation of recombinant rat AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins followed by incubation with PP2a for 60 mins measured 60 mins post okadaic acid/Cy5-labelled SAMS and ATP addition by TR-FRET assay
50047820	4	ChEMBL_1612931 (CHEMBL3854731)	Inhibition of PDE3A (unknown origin)
50047820	5	ChEMBL_1612903 (CHEMBL3854703)	Activation of recombinant human AMPK alpha2/beta2/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay
50047820	6	ChEMBL_1612919 (CHEMBL3854719)	Activation of recombinant human AMPK alpha1/beta1/gamma1 assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins followed by incubation with PP2a for 60 mins measured 60 mins post okadaic acid/SAMS peptide and [33P]ATP addition by liquid scintillation counting method
50047820	7	ChEMBL_1612921 (CHEMBL3854721)	Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay
50047820	8	ChEMBL_1612923 (CHEMBL3854723)	Activation of recombinant human BAP-tagged AMPK alpha1/beta1/gamma1 assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins followed by addition of PP2a for 60 mins and using okadaic acid by DELFIA protection assay
50047820	9	ChEMBL_1612902 (CHEMBL3854702)	Activation of recombinant human AMPK alpha1/beta2/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay
50047820	10	ChEMBL_1612925 (CHEMBL3854725)	Activation of recombinant human AMPK alpha2/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins followed by incubation with PP2a for 60 mins measured 60 mins post okadaic acid/Cy5-labelled SAMS and ATP addition by TR-FRET assay
50047820	11	ChEMBL_1612904 (CHEMBL3854704)	Activation of recombinant human AMPK alpha2/beta2/gamma3 by using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay
50047820	12	ChEMBL_1612930 (CHEMBL3854730)	Agonist activity at human recombinant 5-HT2b receptor expressed in CHO cells measured after 30 mins by HTRF assay
50047821	1	ChEMBL_1613001 (CHEMBL3854801)	Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubated for 20 mins followed by tracer addition and incubated in dark for 60 mins by FRET-based Lanthascreen assay
50047821	2	ChEMBL_1613002 (CHEMBL3854802)	Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene assay
50047821	3	ChEMBL_1613024 (CHEMBL3854824)	Inhibition of CDK8 in human COLO205 cells expressing APC mutant assessed as suppression of WNT pathway by luciferase reporter gene assay
50047821	4	ChEMBL_1613062 (CHEMBL3854862)	Inhibition of GSK-3alpha (unknown origin)
50047821	5	ChEMBL_1613010 (CHEMBL3854810)	Inhibition of JAK2 (unknown origin)
50047821	6	ChEMBL_1613012 (CHEMBL3854812)	Inhibition of JAK3 (unknown origin)
50047821	7	ChEMBL_1613013 (CHEMBL3854813)	Inhibition of ROCK-2 (unknown origin)
50047821	8	ChEMBL_1613022 (CHEMBL3854822)	Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727
50047821	9	ChEMBL_1613023 (CHEMBL3854823)	Inhibition of CDK8 in human LS174T cells expressing beta-catenin mutant assessed as suppression of WNT pathway by luciferase reporter gene assay
50047821	10	ChEMBL_1613025 (CHEMBL3854825)	Inhibition of CDK8 in human PA1 cells assessed as suppression of WNT3a ligand-induced WNT pathway by luciferase reporter gene assay
50047821	11	ChEMBL_1613009 (CHEMBL3854809)	Inhibition of JAK1 (unknown origin)
50047821	12	ChEMBL_1613030 (CHEMBL3854830)	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells after 120 mins by scintillation counting method
50047821	13	ChEMBL_1613014 (CHEMBL3854814)	Inhibition of TYK2 (unknown origin)
50047822	1	ChEMBL_1613074 (CHEMBL3854874)	Irreversible inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in polyglutamic acid-tyrosine phosphorylation after 30 mins by ELISA
50047822	2	ChEMBL_1613063 (CHEMBL3854863)	Irreversible inhibition of GST-tagged ERBB1 (unknown origin) (Met-668 to Ala-1211 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in Glu/Tyr copolymer phosphorylation after 6 mins by ELISA
50047822	3	ChEMBL_1613064 (CHEMBL3854864)	Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in Glu/Tyr copolymer phosphorylation after 6 mins by ELISA
50047822	4	ChEMBL_1613065 (CHEMBL3854865)	Irreversible inhibition of GST-tagged ERBB4 (unknown origin) (Gly-259 to Gly-690 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in Glu/Tyr copolymer phosphorylation after 6 mins by ELISA
50047822	5	ChEMBL_1613067 (CHEMBL3854867)	Irreversible inhibition of full length human ERBB1 autophosphorylation transfected in EGF-stimulated mouse NIH/3T3 cells incubated for 2 hrs followed by stimulation with EGF for 10 mins
50047822	6	ChEMBL_1613127 (CHEMBL3854927)	Inhibition of LCK (unknown origin)
50047822	7	ChEMBL_1613128 (CHEMBL3854928)	Inhibition of Src (unknown origin)
50047822	8	ChEMBL_1613066 (CHEMBL3854866)	Irreversible inhibition of ERBB2 (unknown origin) autophosphorylation transfected in EGF-stimulated mouse T24 NIH/3T3 cells with extracellular binding domain of ERBB1 incubated for 2 hrs followed by stimulation with EGF for 10 mins
50047823	1	ChEMBL_1613134 (CHEMBL3854934)	Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in TNFalpha release incubated for 1 hr followed by stimulation with LPS for 4 hrs by HTRF assay
50047823	2	ChEMBL_1613140 (CHEMBL3854940)	Inhibition of COT in LPS-stimulated human whole blood assessed as reduction in TNFalpha release incubated for 30 mins followed by stimulation with LPS for 3 hrs by HTRF assay
50047823	3	ChEMBL_1613130 (CHEMBL3854930)	Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by caliper microfluidic mobility shift assay
50047823	4	ChEMBL_1613133 (CHEMBL3854933)	Inhibition of COT in LPS-stimulated human PBMC assessed as reduction in ERK1/2 phosphorylation incubated for 60 mins followed by LPS stimulation for 12 mins by flow cytometric analysis
50047823	5	ChEMBL_1613137 (CHEMBL3854937)	Inhibition of MKNK2 (unknown origin) after 60 mins in presence of ATP by caliper microfluidic mobility shift assay
50047824	1	ChEMBL_1613238 (CHEMBL3855038)	Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence assay
50047824	2	ChEMBL_1613237 (CHEMBL3855037)	Inhibition of PDGFRalpha kinase domain (unknown origin) assessed as reduction in probe peptide substrate phosphorylation by capillary electrophoresis
50047824	3	ChEMBL_1613241 (CHEMBL3855041)	Inhibition of H3 receptor (unknown origin)
50047824	4	ChEMBL_1613240 (CHEMBL3855040)	Inhibition of M1 receptor (unknown origin)
50047824	5	ChEMBL_1613239 (CHEMBL3855039)	Inhibition of human ERG
50047825	1	ChEMBL_1613291 (CHEMBL3855091)	Binding affinity to CD47 receptor in human biotinylated MEC1 cell membranes by biolayer interferometry
50047825	2	ChEMBL_1613290 (CHEMBL3855090)	Binding affinity to CD47 receptor in human NT.115-labeled MEC1 cell membranes after 5 mins by MST assay
50047826	1	ChEMBL_1613474 (CHEMBL3855274)	Binding affinity to human SST2 receptor
50047827	1	ChEMBL_1613478 (CHEMBL3855278)	Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scintillation counting
50047827	2	ChEMBL_1613496 (CHEMBL3855296)	Inhibition of human CYP3A4 expressed in microsomes using 7BQ as substrate after 10 mins by P450 cypex assay
50047827	3	ChEMBL_1613479 (CHEMBL3855279)	Inhibition of human ERG transfected in HEK293 cells assessed as reduction in tail current by patch clamp assay
50047827	4	ChEMBL_1613492 (CHEMBL3855292)	Inhibition of human CYP2C9 expressed in microsomes using FCA as substrate after 10 mins by P450 cypex assay
50047827	5	ChEMBL_1613494 (CHEMBL3855294)	Inhibition of human CYP2D6 expressed in microsomes using MMC as substrate after 10 mins by P450 cypex assay
50047827	6	ChEMBL_1613491 (CHEMBL3855291)	Inhibition of human CYP1A2 expressed in microsomes using ER as substrate after 10 mins by P450 cypex assay
50047827	7	ChEMBL_1613493 (CHEMBL3855293)	Inhibition of human CYP2C19 expressed in microsomes using BMC as substrate after 10 mins by P450 cypex assay
50047827	8	ChEMBL_1613495 (CHEMBL3855295)	Inhibition of human CYP3A4 expressed in microsomes using DEF as substrate after 10 mins by P450 cypex assay
50047827	9	ChEMBL_1613475 (CHEMBL3855275)	Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding assay
50047827	10	ChEMBL_1613477 (CHEMBL3855277)	Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting
50047827	11	ChEMBL_1613480 (CHEMBL3855280)	Antagonist activity at human dopamine D2L receptor expressed in CHO cells coexpressing Galpha16 assessed as inhibition of dopamine-induced Ca2+ stimulation pre-incubated for 10 mins followed by dopamine challenge by Fluo-4AM based fluorometric analysis
50047827	12	ChEMBL_1613481 (CHEMBL3855281)	Activity at human muscarinic acetylcholine receptor M1 transfected in CHO-K1 cells assessed as intracellular calcium levels in presence of acetylcholine by FLIPR assay
50047827	13	ChEMBL_1613482 (CHEMBL3855282)	Activity at human muscarinic acetylcholine receptor M3 transfected in CHO-K1 cells assessed as intracellular calcium levels in presence of acetylcholine by FLIPR assay
50047827	14	ChEMBL_1613488 (CHEMBL3855288)	Activity at dopamine D4 receptor (unknown origin)
50047827	15	ChEMBL_1613487 (CHEMBL3855287)	Activity at dopamine D1 receptor (unknown origin)
50047828	1	ChEMBL_1613508 (CHEMBL3855308)	Inhibition of PE-conjugated-12G5 anti-CXCR4 antibody binding to CXCR4 in human CEM-CCRF cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysis
50047828	2	ChEMBL_1613513 (CHEMBL3855313)	Inhibition of 12G5 anti-CXCR4 antibody binding to CXCR4 in human HT29 cells preincubated for 30 mins followed by antibody addition by FACS Canto II cytofluorometric analysis
50047829	1	ChEBML_1613535	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	2	ChEBML_1613525	Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium influx preincubated for 3 mins prior CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50047829	12	ChEBML_1613522	Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay
50047829	16	ChEBML_1613535	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	29	ChEBML_1613525	Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium influx preincubated for 3 mins prior CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50047829	28	ChEMBL_1613535 (CHEMBL3855335)	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	39	ChEBML_1613533	Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	183	ChEMBL_1613525 (CHEMBL3855325)	Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium influx preincubated for 3 mins prior CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50047829	45	ChEBML_1613533	Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	52	ChEBML_1613543	Inhibition of CYP2C9 (unknown origin)
50047829	98	ChEBML_1613535	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	117	ChEBML_1613576	Inhibition of human ERG expressed in CHO cells assessed as potassium tail current measured at -40 mV holding potential after 3 mins by QPatch clamp assay
50047829	161	ChEBML_1613536	Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	154	ChEBML_1613541	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50047829	175	ChEBML_1613535	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	184	ChEMBL_1613524 (CHEMBL3855324)	Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium influx preincubated for 3 mins prior CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50047829	176	ChEBML_1613525	Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium influx preincubated for 3 mins prior CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50047829	182	ChEMBL_1613536 (CHEMBL3855336)	Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential measured after 150 secs by QPatch assay
50047829	187	ChEMBL_1613534 (CHEMBL3855334)	Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential measured after 150 secs by QPatch assay
50047829	190	ChEMBL_1613531 (CHEMBL3855331)	Inhibition of T-type calcium channel Cav3.1 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay
50047829	195	ChEMBL_1613532 (CHEMBL3855332)	Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential measured after 150 secs by QPatch assay
50047829	198	ChEMBL_1613544 (CHEMBL3855344)	Inhibition of CYP2D6 (unknown origin)
50047829	196	ChEMBL_1613542 (CHEMBL3855342)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50047829	197	ChEMBL_1613523 (CHEMBL3855323)	Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential measured after 150 secs by QPatch assay
50047829	109	ChEMBL_1613576 (CHEMBL3855376)	Inhibition of human ERG expressed in CHO cells assessed as potassium tail current measured at -40 mV holding potential after 3 mins by QPatch clamp assay
50047830	1	ChEMBL_1613599 (CHEMBL3855399)	Agonist activity at Drosophila melanogaster RYamide receptor expressed in wild type CHO-K1 cells assessed as increase in calcium level after 20 secs by luminescence assay
50047831	1	ChEMBL_1613613 (CHEMBL3855413)	Inhibition of CYP2C9 (unknown origin)
50047831	2	ChEMBL_1613608 (CHEMBL3855408)	Agonist activity at LXRbeta LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor transcription activity by luciferase reporter gene assay
50047831	3	ChEMBL_1613611 (CHEMBL3855411)	Inhibition of CYP3A4 (unknown origin)
50047831	4	ChEMBL_1613612 (CHEMBL3855412)	Inhibition of CYP2D6 (unknown origin)
50047831	5	ChEMBL_1613605 (CHEMBL3855405)	Displacement of radiolabeled T0901317 from LXRalpha LBD (unknown origin)
50047831	6	ChEMBL_1613606 (CHEMBL3855406)	Displacement of radiolabeled T0901317 from LXRbeta LBD (unknown origin)
50047831	7	ChEMBL_1613607 (CHEMBL3855407)	Agonist activity at LXRalpha LBD (unknown origin) fused with Gal4-DNA binding domain expressed in HEK293 cells assessed as modulation of receptor transcription activity by luciferase reporter gene assay
50047832	1	ChEMBL_1613710 (CHEMBL3855510)	Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 mins
50047832	2	ChEMBL_1613695 (CHEMBL3855495)	Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC
50047832	3	ChEMBL_1613699 (CHEMBL3855499)	Inhibition of human kallikrein1 at 37 degC by chromogenic substrate assay
50047832	4	ChEMBL_1613696 (CHEMBL3855496)	Inhibition of factor 10a (unknown origin) at 25 degC by chromogenic substrate assay
50047832	5	ChEMBL_1613700 (CHEMBL3855500)	Inhibition of activated protein C (unknown origin) at 37 degC by chromogenic substrate assay
50047832	6	ChEMBL_1613697 (CHEMBL3855497)	Inhibition of thrombin (unknown origin) at 25 degC by chromogenic substrate assay
50047833	1	ChEMBL_1613832 (CHEMBL3855632)	Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation
50047833	2	ChEMBL_1613834 (CHEMBL3855634)	Antagonist activity at rat TRPV4 assessed as inhibition of 4alpha-PDD-induced activation
50047833	3	ChEMBL_1613880 (CHEMBL3855680)	Inhibition of human ERG
50047833	4	ChEMBL_1613869 (CHEMBL3855669)	Antagonist activity at human TRPV4 expressed in CHO cells assessed as inhibition of capsaicin-induced response
50047833	5	ChEMBL_1613866 (CHEMBL3855666)	Antagonist activity at human TRPV4 assessed as inhibition of hypotonicity-induced activation
50047833	6	ChEMBL_1613868 (CHEMBL3855668)	Antagonist activity at rat TRPV4 assessed as inhibition of hypotonicity-induced activation
50047834	1	ChEMBL_1613917 (CHEMBL3855717)	Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50047834	2	ChEMBL_1613916 (CHEMBL3855716)	Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells assessed as interaction with EA labelled SRCP after 3 to 16 hrs by beta galactosidase reporter gene assay
50047835	1	ChEMBL_1613923 (CHEMBL3855723)	Inhibition of recombinant full-length N-terminal GST tagged human GSK-3 beta expressed in baculovirus infected Sf9 insect cells using GSM as substrate after 5 mins by ADP-Glo luminescence assay
50047835	2	ChEMBL_1613922 (CHEMBL3855722)	Binding affinity to GSK-3 beta (unknown origin) after 30 mins by isothermal titration calorimetry
50047836	1	ChEMBL_1613957 (CHEMBL3855757)	Inhibition of CYP2B6 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	2	ChEMBL_1613930 (CHEMBL3855730)	Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using diC8PIP2 as substrate incubated for 15 mins followed by substrate addition measured after 2 hr by ADP-Glo luminescence assay
50047836	3	ChEMBL_1613926 (CHEMBL3855726)	Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 15 mins followed by substrate addition measured after 2 hr by ADP-Glo luminescence assay
50047836	4	ChEMBL_1613958 (CHEMBL3855758)	Inhibition of CYP2C8 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	5	ChEMBL_1613949 (CHEMBL3855749)	Inhibition of human ERG
50047836	6	ChEMBL_1613932 (CHEMBL3855732)	Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110alpha/p85alpha coexpressed in baculovirus infected Sf9 insect cells using diC8PIP2 as substrate incubated for 15 mins followed by substrate addition measured after 2 hr by ADP-Glo luminescence assay
50047836	7	ChEMBL_1613936 (CHEMBL3855736)	Binding affinity to human recombinant full length N-terminal His6-tagged PI3K p110alpha/p85alpha coexpressed in baculovirus infected Sf9 insect cells by equilibrium fluorescence titration analysis
50047836	8	ChEMBL_1613939 (CHEMBL3855739)	Binding affinity to human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells by equilibrium fluorescence titration analysis
50047836	9	ChEMBL_1613935 (CHEMBL3855735)	Inhibition of PI3Kdelta in IgM-stimulated human Raji cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by stimulation with IgM for 30 mins by ELISA
50047836	10	ChEMBL_1613934 (CHEMBL3855734)	Inhibition of PI3Kgamma in C5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 incubated for 30 mins followed by stimulation with C5a for 3 mins by ELISA
50047836	11	ChEMBL_1613929 (CHEMBL3855729)	Inhibition of PI3Kalpha in human SKOV-3 cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA
50047836	12	ChEMBL_1613933 (CHEMBL3855733)	Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110beta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using diC8PIP2 as substrate incubated for 15 mins followed by substrate addition measured after 2 hr by ADP-Glo luminescence assay
50047836	13	ChEMBL_1613962 (CHEMBL3855762)	Inhibition of CYP3A4 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	14	ChEMBL_1613961 (CHEMBL3855761)	Inhibition of CYP2D6 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	15	ChEMBL_1613960 (CHEMBL3855760)	Inhibition of CYP2C19 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	16	ChEMBL_1613937 (CHEMBL3855737)	Binding affinity to human recombinant full length N-terminal His6-tagged PI3K p110beta/p85alpha coexpressed in baculovirus infected Sf9 insect cells by equilibrium fluorescence titration analysis
50047836	17	ChEMBL_1613959 (CHEMBL3855759)	Inhibition of CYP2C9 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047836	18	ChEMBL_1613938 (CHEMBL3855738)	Binding affinity to human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells by equilibrium fluorescence titration analysis
50047836	19	ChEMBL_1613928 (CHEMBL3855728)	Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in AKT phosphorylation at S473 after 30 mins by ELISA
50047836	20	ChEMBL_1613956 (CHEMBL3855756)	Inhibition of CYP1A2 in human liver microsomes after 5 mins in presence of NADPH by LC-MS/MS analysis
50047837	1	ChEMBL_1614026 (CHEMBL3855826)	Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 mins by HPLC-MS method
50047837	2	ChEMBL_1614025 (CHEMBL3855825)	Inhibition of CYP3A4 in human liver microsomes assessed as 6-beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated for 30 mins by HPLC-MS method
50047838	1	ChEBML_1614090	Inhibition of N-terminal Prolabel-tagged human Smurf-1 HECT domain expressed in HEK293 cells assessed as accumulation of Smurf-1 protein using chemiluminescent substrate after overnight incubation by beta-galactosidase complementation assay
50047839	1	ChEBML_1614096	Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay
50047839	4	ChEBML_1614094	Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	5	ChEBML_1614093	Inhibition of human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	6	ChEBML_1614095	Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	9	ChEBML_1614096	Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay
50047839	2	ChEMBL_1614095 (CHEMBL3855895)	Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	11	ChEBML_1614097	Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay
50047839	7	ChEMBL_1614097 (CHEMBL3855897)	Inhibition of human Aurora kinase B (D25 to A303 residues) expressed in mammalian expression system by Z'LYTE assay
50047839	19	ChEMBL_1614096 (CHEMBL3855896)	Inhibition of human Aurora kinase A (E122 to K401 residues) expressed in mammalian expression system by Z'LYTE assay
50047839	20	ChEMBL_1614094 (CHEMBL3855894)	Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	21	ChEMBL_1614093 (CHEMBL3855893)	Inhibition of human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	17	ChEMBL_1614092 (CHEMBL3855892)	Inhibition of human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system incubated for 60 mins by ADAPTA assay
50047839	18	ChEMBL_1614102 (CHEMBL3855902)	Inhibition of BRD4 bromodomain 1 (unknown origin) by Alphascreen assay
50047840	1	ChEMBL_1614127 (CHEMBL3855927)	Inhibition of PI3Kalpha (unknown origin) preincubated prior addition of PIP2 as substrate and ATP measured after 30 mins by HTRF assay
50047840	2	ChEMBL_1614128 (CHEMBL3855928)	Inhibition of PI3Kbeta (unknown origin) preincubated prior addition of PIP2 as substrate and ATP measured after 30 mins by HTRF assay
50047841	1	ChEMBL_1614150 (CHEMBL3855950)	Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid scintillation counting
50047841	2	ChEMBL_1614153 (CHEMBL3855953)	Agonist activity at human alpha2b-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis
50047841	3	ChEMBL_1614154 (CHEMBL3855954)	Agonist activity at human alpha2c-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis
50047841	4	ChEMBL_1614180 (CHEMBL3855980)	Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in rat PC12 cell membranes after 30 mins by gamma counting method
50047841	5	ChEMBL_1614152 (CHEMBL3855952)	Agonist activity at human alpha2a-AR expressed in CHO cells assessed as rate of acidification after 240 mins by cytosensor microphysiometric analysis
50047842	1	ChEMBL_1614280 (CHEMBL3856349)	Inhibition of recombinant human SIRT1 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys assay
50047842	2	ChEMBL_1614255 (CHEMBL3856324)	Inhibition of human SIRT1 assessed as deacetylation activity preincubated with protein followed by addition of AMC-tagged Arg-His-Lys-Lys(Ac) (379 to 382 residues) as substrate measured after 45 mins in presence of NAD+ by fluorescence assay
50047842	3	ChEMBL_1614270 (CHEMBL3856339)	Inhibition of human SIRT1 assessed as NAD+-dependent deacetylase activity using acetylated tubuline as substrate measured after overnight incubation by fluorescence analysis
50047842	4	ChEMBL_1614268 (CHEMBL3856337)	Inhibition of recombinant human GST-tagged SIRT1 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG as substrate measured after overnight incubation by liquid scintillation counting method
50047842	5	ChEMBL_1614263 (CHEMBL3856332)	Inhibition of recombinant SIRT1 (unknown origin) assessed as deacetylation activity using acetylated p53 as substrate measured after 2 hrs by Fluor de Lys assay
50047842	6	ChEMBL_1614274 (CHEMBL3856343)	Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET assay
50047842	7	ChEMBL_1614277 (CHEMBL3856346)	Inhibition of recombinant human SIRT2 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by fluorescence analysis
50047842	8	ChEMBL_1614247 (CHEMBL3856316)	Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay
50047842	9	ChEMBL_1614264 (CHEMBL3856333)	Inhibition of recombinant yeast Sir2p using acetylated HeLa histones as substrate measured after 2 hrs in presence of NAD by scintillation counting method
50047842	10	ChEMBL_1614242 (CHEMBL3856311)	Activation of recombinant human SIRT1 assessed as increase in deacetylation of Fluor de Lys-SIRT1-specific substrate after 2 hrs by HTS assay
50047842	11	ChEMBL_1614279 (CHEMBL3856348)	Competitive inhibition of human SIRT2 assessed as deacetylation activity using fluorescent peptide substrate in presence of NAD+ by Lineweaver-Burk plot analysis
50047842	12	ChEMBL_1614251 (CHEMBL3856320)	Inhibition of human N-terminal 6His-tagged SIRT2 assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys assay
50047842	13	ChEMBL_1614250 (CHEMBL3856319)	Inhibition of recombinant human His-tagged SIRT1 assessed as inhibition of deacetylase activity measured after 60 mins by Fluor de Lys assay
50047842	14	ChEMBL_1614248 (CHEMBL3856317)	Inhibition of SIRT2 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay
50047842	15	ChEMBL_1614245 (CHEMBL3856314)	Non-competitive inhibition of recombinant human SIRT1 using acetylated histone as substrate measured after 30 mins by fluorimetric analysis
50047842	16	ChEMBL_1614271 (CHEMBL3856340)	Inhibition of human SIRT1 assessed as deacetylation activity using acetylated lysine as substrate measured after 1 hr in presence of NAD+ by by Fluor de Lys assay
50047842	17	ChEMBL_1614269 (CHEMBL3856338)	Inhibition of recombinant human GST-tagged SIRT2 overexpressed in Escherichia coli DH5alpha assessed as deacetylation activity using [3H]-MPSDKTIGG as substrate measured after overnight incubation by liquid scintillation counting method
50047842	18	ChEMBL_1614267 (CHEMBL3856336)	Inhibition of full-length human N-terminal His6-tagged SIRT2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys assay
50047842	19	ChEMBL_1614253 (CHEMBL3856322)	Inhibition of full-length human N-terminal GST-tagged SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity using ZMAL as substrate measured after 4 hrs by Fluor de Lys assay
50047842	20	ChEMBL_1614266 (CHEMBL3856335)	Inhibition of human GST-tagged SIRT2 expressed in bacterial expression system assessed as deacetylation activity using [3H]acetyl-H4 peptide as substrate measured after 3 hrs by scintillation counting method
50047842	21	ChEMBL_1614275 (CHEMBL3856344)	Inhibition of human SIRT2 using biotin labeled histone H4 peptide with an acetylated lysine 4 as substrate measured after 1 hr by luminescence analysis
50047842	22	ChEMBL_1614254 (CHEMBL3856323)	Inhibition of recombinant human SIRT1 (193 to 747 residues) expressed in Escherichia coli BL21 (DE3) using AMC-labeled p53-derived acetylated lysine as substrate in presence of NAD+ by HTS assay
50047842	23	ChEMBL_1614278 (CHEMBL3856347)	Noncompetitive inhibition of human SIRT2 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by Lineweaver-Burk plot analysis
50047842	24	ChEMBL_1614265 (CHEMBL3856334)	Inhibition of human GST-tagged SIRT1 (18 to 340 residues) expressed in Escherichia coli BL21 (DE3)LysS using acetylated HeLa histones as substrate measured after 2 hrs in presence of NAD by scintillation counting method
50047842	25	ChEMBL_1614249 (CHEMBL3856318)	Inhibition of SIRT3 (unknown origin) using acetylated lysine as substrate by Fluor de Lys assay
50047842	26	ChEMBL_1614276 (CHEMBL3856345)	Inhibition of recombinant human SIRT1 assessed as deacetylation activity using fluorescent substrate in presence of NAD+ by fluorescence analysis
50047842	27	ChEMBL_1614252 (CHEMBL3856321)	Inhibition of human SIRT1 expressed in bacterial expression system assessed as reduction in conversion of [3H]acetyl-H4 to [3H]acetic acid measured after 3 hrs by scintillation counting method
50047842	28	ChEMBL_1614246 (CHEMBL3856315)	Non-competitive inhibition of recombinant yeast glutathione-S-transferase-tagged SIRT2 using acetylated histone as substrate measured after 30 mins by fluorimetric analysis
50047842	29	ChEMBL_1614272 (CHEMBL3856341)	Inhibition of human SIRT2 assessed as deacetylation activity using acetylated lysine as substrate measured after 1 hr in presence of NAD+ by by Fluor de Lys assay
50047842	30	ChEMBL_1614281 (CHEMBL3856350)	Inhibition of human FLAG-tagged SIRT1 expressed in HEK293 cells using [3H]-H3 peptide as substrate
50047843	1	ChEMBL_1614316 (CHEMBL3856385)	Inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells assessed as reduction in transformation of [3H]-E1S to E1 after 2 hrs by liquid scintillation counting
50047844	7	ChEMBL_1614338 (CHEMBL3856407)	Agonist activity at rat TRPV1 channel expressed in HEK293 cells assessed as induction of channel current at -60 mV holding potential by whole-cell patch-clamp method
50047844	2	ChEMBL_1614340 (CHEMBL3856409)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as induction of 45Ca2+ uptake measured after 5 mins by scintillation counting method
50047844	3	ChEMBL_1614344 (CHEMBL3856413)	Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 0.1 uM at -60 mV holding potential by whole-cell patch clamp method (Rvb = 0.06 uM)
50047844	1	ChEMBL_1614345 (CHEMBL3856414)	Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 0.6 uM at -60 mV holding potential by whole-cell patch clamp method (Rvb = 0.06 uM)
50047844	4	ChEMBL_1614347 (CHEMBL3856416)	Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 10 uM at -60 mV holding potential by whole-cell patch clamp method (Rvb = 0.06 uM)
50047844	9	ChEMBL_1614374 (CHEMBL3856443)	Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced inward current at -60 mV holding potential pretreated for 180 secs prior to capsaicin addition in presence of extracellular calcium by whole-cell patch-clamp method
50047845	1	ChEMBL_1614445 (CHEMBL3856514)	Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 insect cells using cdk7 substrate peptide
50047845	2	ChEMBL_1614439 (CHEMBL3856508)	Inhibition of human recombinant His-tagged FLT3 expressed in baculovirus expression system
50047845	3	ChEMBL_1614437 (CHEMBL3856506)	Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using pRB (773 to 928 residues) as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50047845	4	ChEMBL_1614467 (CHEMBL3856536)	Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins measured after 25 mins by TR-FRET assay
50047845	5	ChEMBL_1614424 (CHEMBL3856493)	Inhibition of human CDK2/cyclin E
50047845	6	ChEMBL_1614415 (CHEMBL3856484)	Inhibition of human CDK2/cyclin E expressed in baculovirus infected Sf9 insect cells using retinoblastoma (792 to 928 residues) as substrate after 30 mins by gamma32P-ATP based scintillation counting analysis
50047845	7	ChEMBL_1614407 (CHEMBL3856476)	Inhibition of human recombinant N-terminal GST/HIS6-tagged CDK1 (1 to 297 residues)/cyclin B1 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay
50047845	8	ChEMBL_1614404 (CHEMBL3856473)	Inhibition of recombinant human full length N-terminal His6-tagged CDK5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate
50047845	9	ChEMBL_1614403 (CHEMBL3856472)	Inhibition of recombinant human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin E expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate
50047845	10	ChEMBL_1614400 (CHEMBL3856469)	Inhibition of CDK9/cyclin T (unknown origin)
50047845	11	ChEMBL_1614397 (CHEMBL3856466)	Inhibition of CDK1/cyclin B (unknown origin)
50047845	12	ChEMBL_1614435 (CHEMBL3856504)	Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50047845	13	ChEMBL_1614430 (CHEMBL3856499)	Inhibition of human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin A using histone H1 as substrate after 10 mins by [gamma-32P]ATP based binding assay
50047845	14	ChEMBL_1614429 (CHEMBL3856498)	Inhibition of human His6-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using GST-CTD as substrate after 10 mins in presence of [gamma-32P]ATP by SDS-PAGE analysis
50047845	15	ChEMBL_1614484 (CHEMBL3856553)	Inhibition of human GST-tagged CDK9
50047845	16	ChEMBL_1614480 (CHEMBL3856549)	Inhibition of CDK3 (unknown origin)
50047845	17	ChEMBL_1614486 (CHEMBL3856555)	Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T1 expressed in baculovirus infected Sf21 insect cells using 5TAMRA-cdk7tide as substrate after 4.5 hrs by IMAP assay
50047845	18	ChEMBL_1614444 (CHEMBL3856513)	Inhibition of recombinant human full length C-terminal His6-tagged CDK3/N-terminal GST-tagged cyclin E expressed in baculovirus infected Sf21 insect cells using Histone H1 as substrate
50047845	19	ChEMBL_1614413 (CHEMBL3856482)	Inhibition of recombinant human N-terminal GST-tagged CDK2/cyclin A expressed in baculovirus expression system using retinoblastoma (792 to 928 residues) as substrate after 30 mins by gamma32P-ATP based scintillation counting analysis
50047845	20	ChEMBL_1614402 (CHEMBL3856471)	Inhibition of human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin A expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate
50047845	21	ChEMBL_1614395 (CHEMBL3856464)	Inhibition of CDK5/p25 (unknown origin) expressed in baculovirus infected insect cells using GST-tagged pRB (792 to 928 residues) as substrate preincubated for 2 mins followed by [gamma32P]ATP addition measured after 15 mins by beta counting method
50047845	22	ChEMBL_1614432 (CHEMBL3856501)	Inhibition of CDK9/cyclin T1 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP based microbeta scintillation counting analysis
50047845	23	ChEMBL_1614463 (CHEMBL3856532)	Inhibition of CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate
50047845	24	ChEMBL_1614477 (CHEMBL3856546)	Inhibition of recombinant CDK4/cyclin D1 (unknown origin)
50047845	25	ChEMBL_1614421 (CHEMBL3856490)	Inhibition of recombinant human N-terminal GST-tagged CDK4 (4 to 303 residues)/cyclin D1 (4 to 295 residues) expressed in sf9 cells using C-terminal retinoblastoma fragment as substrate after 90 mins by [gamma-33P]ATP based microbeta scintillation counting analysis
50047845	26	ChEMBL_1614417 (CHEMBL3856486)	Inhibition of recombinant CDK1/cyclin B (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis
50047845	27	ChEMBL_1614468 (CHEMBL3856537)	Inhibition of human recombinant GST-tagged CDK2/cyclin E expressed in Sf9 insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by substrate addition measured after 25 mins by TR-FRET assay
50047845	28	ChEMBL_1614406 (CHEMBL3856475)	Inhibition of recombinant human N-terminal GST-tagged CDK4/cyclin D1 expressed in baculovirus infected sf cells
50047845	29	ChEMBL_1614464 (CHEMBL3856533)	Inhibition of recombinant human CDK1/cyclin B expressed in baculovirus infected Sf9 insect cells after 80 mins in presence of [33P]ATP by microbeta scintillation counting analysis
50047845	30	ChEMBL_1614461 (CHEMBL3856530)	Binding affinity to full length human CDK9 (1 to 372 residues) expressed in bacterial expression system by KINOMEscan competition assay
50047845	31	ChEMBL_1614460 (CHEMBL3856529)	Binding affinity to full length human CDK7 (1 to 344 residues) expressed in mammalian expression system by KINOMEscan competition assay
50047845	32	ChEMBL_1614459 (CHEMBL3856528)	Binding affinity to full length human CDK2 (1 to 298 residues) expressed in bacterial expression system by KINOMEscan competition assay
50047845	33	ChEMBL_1614457 (CHEMBL3856526)	Inhibition of CDK7/cyclin H (unknown origin)
50047845	34	ChEMBL_1614456 (CHEMBL3856525)	Inhibition of CDK6/cyclin D3 (unknown origin)
50047845	35	ChEMBL_1614454 (CHEMBL3856523)	Inhibition of CDK3/cyclin E (unknown origin)
50047845	36	ChEMBL_1614450 (CHEMBL3856519)	Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T1 expressed in baculovirus infected Sf21 insect cells using CDK9ptide as substrate after 60 mins in presence of 33P-ATP by microbeta scintillation counting analysis
50047845	37	ChEMBL_1614448 (CHEMBL3856517)	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis
50047845	38	ChEMBL_1614447 (CHEMBL3856516)	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis
50047845	39	ChEMBL_1614440 (CHEMBL3856509)	Inhibition of CDK9 (unknown origin)
50047845	40	ChEMBL_1614438 (CHEMBL3856507)	Inhibition of human recombinant GST-tagged JAK2 expressed in baculovirus expression system
50047845	41	ChEMBL_1614436 (CHEMBL3856505)	Inhibition of human recombinant CDK5/p25 expressed in baculovirus infected Sf9 insect cells after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50047845	42	ChEMBL_1614431 (CHEMBL3856500)	Inhibition of recombinant human His6-tagged CDK2/cyclin E expressed in baculovirus infected sf9 cells using histone H1 susbtrate in presence of [gamma32P]ATP after 10 mins by scintillation counting method
50047845	43	ChEMBL_1614483 (CHEMBL3856552)	Inhibition of human GST-tagged CDK5
50047845	44	ChEMBL_1614482 (CHEMBL3856551)	Inhibition of full length human recombinant His-tagged CDK9/cyclin T expressed in baculovirus expression system using ULight MBP peptide substrate after 1 hr by TR-FRET assay
50047845	45	ChEMBL_1614481 (CHEMBL3856550)	Inhibition of CDK4 (unknown origin)
50047845	46	ChEMBL_1614478 (CHEMBL3856547)	Inhibition of CDK2 (unknown origin)
50047845	47	ChEMBL_1614408 (CHEMBL3856477)	Inhibition of recombinant human His/GST-tagged CDK2/Cyclin A expressed in baculovirus infected Sf9 cells using Histone H1 as substrate after 80 mins in presence of [33P]ATP by microbeta scintillation counting analysis
50047845	48	ChEMBL_1614466 (CHEMBL3856535)	Inhibition of recombinant human His/GST-tagged CDK5/p35 expressed in baculovirus infected Sf9 insect cells using Rb-CTF as substrate after 80 mins in presence of [33P]ATP by microbeta scintillation counting analysis
50047845	49	ChEMBL_1614465 (CHEMBL3856534)	Inhibition of recombinant human CDK3/cyclin E expressed in baculovirus infected Sf9 insect cells after 80 mins in presence of [33P]ATP by microbeta scintillation counting analysis
50047845	50	ChEMBL_1614441 (CHEMBL3856510)	Inhibition of CDK1 (unknown origin)
50047845	51	ChEMBL_1614446 (CHEMBL3856515)	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis
50047845	52	ChEMBL_1614419 (CHEMBL3856488)	Inhibition of recombinant CDK5/p25 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis
50047845	53	ChEMBL_1614409 (CHEMBL3856478)	Inhibition of full length human N-terminal His6-tagged CDK6/N-terminal GST-tagged cyclin D3 expressed in sf21 cells using histone H1 substrate
50047845	54	ChEMBL_1614422 (CHEMBL3856491)	Inhibition of CDK5/p25 (unknown origin)
50047845	55	ChEMBL_1614420 (CHEMBL3856489)	Inhibition of recombinant CDK9/cyclin T (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis
50047845	56	ChEMBL_1614418 (CHEMBL3856487)	Inhibition of recombinant CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis
50047845	57	ChEMBL_1614412 (CHEMBL3856481)	Inhibition of recombinant CDK4/cyclin D1 (unknown origin) using retinoblastoma (792 to 928 residues) as substrate by scintillation proximity assay
50047845	58	ChEMBL_1614410 (CHEMBL3856479)	Inhibition of recombinant CDK2/cyclin A (unknown origin) using retinoblastoma (792 to 928 residues) as substrate by scintillation proximity assay
50047845	59	ChEMBL_1614393 (CHEMBL3856462)	Inhibition of recombinant CDK1/cyclin B (unknown origin) using biotin-labeled histone H1 as substrate by scintillation proximity assay
50047845	60	ChEMBL_1614405 (CHEMBL3856474)	Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide as substrate
50047845	61	ChEMBL_1614401 (CHEMBL3856470)	Inhibition of human full length C-terminal His6-tagged CDK1/N-terminal GST-tagged cyclin B expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate
50047845	62	ChEMBL_1614398 (CHEMBL3856467)	Inhibition of CDK2/cyclin A (unknown origin)
50047845	63	ChEMBL_1614396 (CHEMBL3856465)	Inhibition of CDK6/cyclin D2 (unknown origin) expressed in baculovirus infected insect cells using GST-tagged pRB (792 to 928 residues) as substrate preincubated for 2 mins followed by [gamma32P]ATP addition measured after 15 mins by beta counting method
50047845	64	ChEMBL_1614392 (CHEMBL3856461)	Inhibition of CDK1/cyclin B (unknown origin) expressed in baculovirus infected insect cells using GST-tagged pRB (792 to 928 residues) as substrate preincubated for 2 mins followed by [gamma32P]ATP addition measured after 15 mins by beta counting method
50047845	65	ChEMBL_1614394 (CHEMBL3856463)	Inhibition of CDK2/cyclin A (unknown origin) expressed in baculovirus infected insect cells using GST-tagged pRB (792 to 928 residues) as substrate preincubated for 2 mins followed by [gamma32P]ATP addition measured after 15 mins by beta counting method
50047845	66	ChEMBL_1614449 (CHEMBL3856518)	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis
50047845	67	ChEMBL_1614411 (CHEMBL3856480)	Inhibition of recombinant CDK2/cyclin E (unknown origin) using retinoblastoma (792 to 928 residues) as substrate by scintillation proximity assay
50047845	68	ChEMBL_1614399 (CHEMBL3856468)	Inhibition of CDK4/cyclin E (unknown origin)
50047845	69	ChEMBL_1614433 (CHEMBL3856502)	Inhibition of CDK7 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP based microbeta scintillation counting analysis
50047845	70	ChEMBL_1614458 (CHEMBL3856527)	Inhibition of human CDK9 (unknown origin)
50047845	71	ChEMBL_1614476 (CHEMBL3856545)	Inhibition of CDK7/cyclin H/MAT1 (unknown origin)
50047845	72	ChEMBL_1614423 (CHEMBL3856492)	Inhibition of recombinant full length human N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D1 (4 to 295 residues) expressed in sf9 cells using C-terminal retinoblastoma fragment as substrate after 90 mins by [gamma-33P]ATP based microbeta scintillation counting analysis
50047845	73	ChEMBL_1614416 (CHEMBL3856485)	Inhibition of human N-terminal GST-tagged CDK4/cyclin D1 expressed in baculovirus infected Sf9 insect cells using retinoblastoma (792 to 928 residues) as substrate after 30 mins by gamma32P-ATP based scintillation counting analysis
50047845	74	ChEMBL_1614390 (CHEMBL3856459)	Inhibition of human recombinant full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin E1 (1 to 395 residues) expressed in Sf9 insect cells using histone 3 as substrate by 33P-gamma ATP based assay
50047845	75	ChEMBL_1614462 (CHEMBL3856531)	Inhibition of PI3Kalpha (unknown origin)
50047845	76	ChEMBL_1614455 (CHEMBL3856524)	Inhibition of CDK5/p35 (unknown origin)
50047845	77	ChEMBL_1614451 (CHEMBL3856520)	Inhibition of CDK8/cyclin C (unknown origin) using RBER-CHKStide as substrate after 60 mins in presence of 33P-ATP by microbeta scintillation counting analysis
50047845	78	ChEMBL_1614442 (CHEMBL3856511)	Inhibition of CDK5 (unknown origin)
50047845	79	ChEMBL_1614485 (CHEMBL3856554)	Inhibition of CDK9/cyclin T1 (unknown origin)
50047845	80	ChEMBL_1614479 (CHEMBL3856548)	Inhibition of recombinant human His-tagged CDK9/cyclin T1 expressed in baculovirus infected sf9 cells using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP based microbeta scintillation counting analysis
50047845	81	ChEMBL_1614452 (CHEMBL3856521)	Inhibition of recombinant human full length C-terminal His6-tagged CDK7/cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 insect cells using CDK7/9ptide as substrate after 60 mins in presence of 33P-ATP by microbeta scintillation counting analysis
50047845	82	ChEMBL_1614414 (CHEMBL3856483)	Inhibition of human CDK9 (1 to 372 residues)/cyclin T1 (1 to 726 residues) in presence of 33P-ATP by scintillation counting analysis
50047845	83	ChEMBL_1614391 (CHEMBL3856460)	Inhibition of CDK4/cyclin D1 (unknown origin) expressed in baculovirus infected insect cells using GST-tagged pRB (792 to 928 residues) as substrate preincubated for 2 mins followed by [gamma32P]ATP addition measured after 15 mins by beta counting method
50047845	84	ChEMBL_1614453 (CHEMBL3856522)	Inhibition of CDK2/cyclin E (unknown origin)
50047846	1	ChEMBL_1614564 (CHEMBL3856633)	Inhibition of recombinant human FLT3 expressed in insect Sf21 cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins in presence of [gamma-32P]ATP by TR-FRET assay
50047846	2	ChEMBL_1614626 (CHEMBL3856695)	Inhibition of recombinant human ABL1 expressed in insect cells preincubated for 15 mins followed by poly(Glu:Tyr) substrate addition for 30 mins in presence of [gamma-32P]ATP by TR-FRET assay
50047846	3	ChEMBL_1614627 (CHEMBL3856696)	Inhibition of human TIE2 preincubated for 15 mins followed by substrate addition measured after 30 mins in presence of [gamma-32P]ATP by TR-FRET assay
50047847	1	ChEMBL_1614838 (CHEMBL3856907)	Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in presence of NADPH
50047848	1	ChEMBL_1614945 (CHEMBL3857014)	Inhibition of equine serum BuChE preincubated for 5 mins followed by addition of butyrylthiocholine iodide as substrate measured after 2 mins by Ellman's method
50047848	2	ChEMBL_1614944 (CHEMBL3857013)	Inhibition of electric eel AChE preincubated for 5 mins followed by addition of acetylthiocholine iodide as substrate measured after 2 mins by Ellman's method
50047849	1	ChEMBL_1614965 (CHEMBL3857034)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus by Z'-LYTE assay
50047850	1	ChEMBL_1615017 (CHEMBL3857086)	Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay
50047850	2	ChEMBL_1615019 (CHEMBL3857088)	Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRalpha (unknown origin) after 1 hr by TR-FRET assay
50047850	3	ChEMBL_1615021 (CHEMBL3857090)	Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (unknown origin) after 1 hr by TR-FRET assay
50047850	4	ChEMBL_1615022 (CHEMBL3857091)	Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERalpha (unknown origin) after 1 hr by TR-FRET assay
50047850	5	ChEMBL_1615023 (CHEMBL3857092)	Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assay
50047851	1	ChEBML_1615641	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry
50047851	2	ChEBML_1615640	Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry
50047851	3	ChEBML_1615644	Displacement of [3H]-CP55,940 from human CB1 receptor transfected in CHO cell membranes
50047851	16	ChEMBL_1615641 (CHEMBL3857710)	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry
50047851	6	ChEBML_1615641	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry
50047851	8	ChEBML_1615641	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry
50047851	12	ChEBML_1615640	Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry
50047851	17	ChEMBL_1615640 (CHEMBL3857709)	Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry
50047851	9	ChEBML_1615640	Displacement of [3H]-CP55,940 from CB1 receptor in mouse whole brain membranes after 60 mins by liquid scintillation spectrometry
50047851	11	ChEBML_1615641	Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHO cell membranes after 60 mins by liquid scintillation spectrometry
50047851	14	ChEMBL_1615642 (CHEMBL3857711)	Displacement of [3H]-CP55,940 from CB1 receptor in CD1 mouse brain membranes after 60 mins by liquid scintillation counting method
50047851	15	ChEBML_1615643	Displacement of [3H]-CP55,940 from CB2 receptor in CD1 mouse spleen homogenates after 60 mins by liquid scintillation counting method
50047851	10	ChEBML_1615643	Displacement of [3H]-CP55,940 from CB2 receptor in CD1 mouse spleen homogenates after 60 mins by liquid scintillation counting method
50047852	1	ChEBML_1615800	Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50047852	3	ChEMBL_1615800 (CHEMBL3857869)	Inhibition of human BRD4 BD2 (342 to 460 residues) at 30 uM preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50047852	4	ChEMBL_1615799 (CHEMBL3857868)	Inhibition of human His-tagged BRD4 BD1 (49 to 170 residues) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50047853	1	ChEMBL_1615836 (CHEMBL3857905)	Inhibition of dopamine transporter (unknown origin) assessed as suppression of synaptosomal uptake of dopamine
50047853	2	ChEMBL_1615834 (CHEMBL3857903)	Inhibition of serotonin transporter (unknown origin) assessed as suppression of synaptosomal uptake of serotonin
50047853	3	ChEMBL_1615835 (CHEMBL3857904)	Inhibition of norepinephrine transporter (unknown origin) assessed as suppression of synaptosomal uptake of norepinephrine
50047854	1	ChEMBL_1615865 (CHEMBL3857934)	Inhibition of human Lck
50047854	2	ChEMBL_1615863 (CHEMBL3857932)	Displacement of [3H]LTD4 from LTD4 receptor in guinea pig lung membrane
50047854	3	ChEMBL_1615858 (CHEMBL3857927)	Inhibition of TrkB (unknown origin)
50047854	4	ChEMBL_1615848 (CHEMBL3857917)	Inhibition of NH2-terminal His-tagged MET kinase domain (1051 to 1348 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells preincubated for 60 mins followed by (poly(Glu, Tyr) 4:1) substrate addition for 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	5	ChEMBL_1615840 (CHEMBL3857909)	Inhibition of MET (unknown origin)
50047854	6	ChEMBL_1615837 (CHEMBL3857906)	Inhibition of VEGF induced VEGFR2 phosphorylation in HUVEC preincubated for 1 hr followed by VEGF-stimulation for 5 mins by Western blot analysis
50047854	7	ChEMBL_1615860 (CHEMBL3857929)	Inhibition of MET autophosphorylation in human MKN45 cells after 2 hrs by Western blot analysis
50047854	8	ChEMBL_1615838 (CHEMBL3857907)	Inhibition of NH2-terminal GST-tagged recombinant human Plk1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate after 45 mins in presence of [gamma32P]-ATP by radiometric assay
50047854	9	ChEMBL_1615866 (CHEMBL3857935)	Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting
50047854	10	ChEMBL_1615857 (CHEMBL3857926)	Inhibition of TrkA (unknown origin)
50047854	11	ChEMBL_1615843 (CHEMBL3857912)	Inhibition of FLT1 (unknown origin)
50047854	12	ChEMBL_1615847 (CHEMBL3857916)	Inhibition of AXL (unknown origin)
50047854	13	ChEMBL_1615846 (CHEMBL3857915)	Inhibition of TIE-2 (unknown origin)
50047854	14	ChEMBL_1615877 (CHEMBL3857946)	Inhibition of HMG-CoA reductase in rat liver microsomes assessed as reduction in [14C]-HMG-CoA conversion to [14C]-mevalonic acid after 15 mins by column filtration method
50047854	15	ChEMBL_1615859 (CHEMBL3857928)	Inhibition of TrkC (unknown origin)
50047854	16	ChEMBL_1615854 (CHEMBL3857923)	Inhibition of PDGFR-alpha (unknown origin) preincubated for 60 mins followed by poly (Glu, Tyr) 4:1 substrate addition for 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	17	ChEMBL_1615852 (CHEMBL3857921)	Inhibition of FLT4 (unknown origin) preincubated for 60 mins followed by biotinylated-poly (Glu, Tyr) 4:1 substrate addition measured after 1 hr by AlphaScreen assay
50047854	18	ChEMBL_1615849 (CHEMBL3857918)	Inhibition of RON (unknown origin) preincubated for 60 mins followed by poly (Glu, Tyr) 4:1 substrate addition for 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	19	ChEMBL_1615845 (CHEMBL3857914)	Inhibition of FLT3 (unknown origin)
50047854	20	ChEMBL_1615844 (CHEMBL3857913)	Inhibition of FLT2 (unknown origin)
50047854	21	ChEMBL_1615839 (CHEMBL3857908)	Inhibition of VEGFR2 (unknown origin)
50047854	22	ChEMBL_1615867 (CHEMBL3857936)	Displacement of [3H]U69,593 from human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting
50047854	23	ChEMBL_1615841 (CHEMBL3857910)	Inhibition of RET (unknown origin)
50047854	24	ChEMBL_1615850 (CHEMBL3857919)	Inhibition of FLT1 (unknown origin) preincubated for 60 mins followed by biotinylated-poly (Glu, Tyr) 4:1 substrate addition measured after 1 hr by AlphaScreen assay
50047854	25	ChEMBL_1615853 (CHEMBL3857922)	Inhibition of KIT (unknown origin) preincubated for 60 mins followed by biotinylated-poly (Glu, Tyr) 4:1 substrate addition measured after 1 hr by AlphaScreen assay
50047854	26	ChEMBL_1615855 (CHEMBL3857924)	Inhibition of PDGFR-beta (unknown origin) preincubated for 60 mins followed by poly (Glu, Tyr) 4:1 substrate addition for 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	27	ChEMBL_1615880 (CHEMBL3857949)	Inhibition of VEGFR2 (unknown origin) preincubated for 60 mins followed by poly (Glu, Tyr) 4:1 substrate addition measured after 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	28	ChEMBL_1615862 (CHEMBL3857931)	Inhibition of the human PDE4B catalytic domain after 30 mins in presence of [3H]cAMP/[3H]cGMP by scintillation counting
50047854	29	ChEMBL_1615856 (CHEMBL3857925)	Inhibition of TIE-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 2 hrs in presence of [33P]-gamma-ATP by microbeta scintillation counting
50047854	30	ChEMBL_1615851 (CHEMBL3857920)	Inhibition of FLT3 (unknown origin) preincubated for 60 mins followed by poly (Glu, Tyr) 4:1 substrate addition for 2 to 4 hrs by luciferase-coupled chemiluminescence assay
50047854	31	ChEMBL_1615842 (CHEMBL3857911)	Inhibition of KIT (unknown origin)
50047854	32	ChEMBL_1615868 (CHEMBL3857937)	Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting
50047855	1	ChEMBL_1615903 (CHEMBL3857972)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting analysis
50047855	2	ChEMBL_1615902 (CHEMBL3857971)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting analysis
50047855	3	ChEMBL_1615905 (CHEMBL3857974)	Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting analysis
50047855	4	ChEMBL_1615904 (CHEMBL3857973)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting analysis
50047855	5	ChEMBL_1615911 (CHEMBL3857980)	Binding affinity to dopamine D2 receptor (unknown origin)
50047855	9	ChEMBL_1615912 (CHEMBL3857981)	Displacement of [3H]-SB-26997 from human 5-HT7A receptor expressed in HEK293 cell membranes after 60 mins by microbeta counting analysis
50047856	1	ChEMBL_1615946 (CHEMBL3858015)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting method
50047857	1	ChEMBL_1615951 (CHEMBL3858020)	Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method
50047857	2	ChEMBL_1615950 (CHEMBL3858019)	Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method
50047858	1	ChEMBL_1615958 (CHEMBL3858027)	Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay
50047859	1	ChEMBL_1615960 (CHEMBL3858029)	Inhibition of cinnamaldehyde-activated full length human TRPA1 channel expressed in 293T-Rex cells monitored at 5 sec interval by manual patch clamp electrophysiological method
50047860	1	ChEMBL_1615977 (CHEMBL3858046)	Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells derived oligonucleosomes as substrate after 60 mins in presence of [3H] SAM by scintillation counting
50047860	2	ChEMBL_1615980 (CHEMBL3858049)	Binding affinity to EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex by ITC analysis
50047860	3	ChEMBL_1615982 (CHEMBL3858051)	Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27Me3 levels after 72 hrs by ELISA
50047861	1	ChEMBL_1616174 (CHEMBL3858243)	Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA
50047861	2	ChEMBL_1616175 (CHEMBL3858244)	Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay
50047861	3	ChEMBL_1616176 (CHEMBL3858245)	Inhibition of human ERG
50047861	4	ChEMBL_1616177 (CHEMBL3858246)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis
50047861	5	ChEMBL_1616179 (CHEMBL3858248)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis
50047861	6	ChEMBL_1616181 (CHEMBL3858250)	Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis
50047861	8	ChEMBL_1616170 (CHEMBL3858239)	Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 mins by TRF assay
50047861	9	ChEMBL_1616171 (CHEMBL3858240)	Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay
50047861	10	ChEMBL_1616180 (CHEMBL3858249)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis
50047861	11	ChEMBL_1616178 (CHEMBL3858247)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis
50047861	12	ChEMBL_1616192 (CHEMBL3858261)	Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis
50047861	13	ChEMBL_1616197 (CHEMBL3858266)	Binding affinity to human ALK (1088 to 1409 residues) expressed in mammalian system by KINOMEscan assay
50047861	14	ChEMBL_1616247 (CHEMBL3858316)	Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H3122 cells
50047861	15	ChEMBL_1616246 (CHEMBL3858315)	Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H2228 cells
50047862	1	ChEMBL_1616314 (CHEMBL3858383)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins by LC/MS/MS analysis
50047862	2	ChEMBL_1616375 (CHEMBL3858444)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by competitive binding assay
50047862	3	ChEMBL_1616384 (CHEMBL3858453)	Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from recombinant rat P2X7 receptor expressed in human 1321N1 cell membranes after 1 hr
50047862	4	ChEMBL_1616309 (CHEMBL3858378)	Displacement of [3H]-(S)-7-(2-chloro-3-(trifluoromethyl)benzyl)-6-methyl-3-(pyrazin-2-yl)-6,7-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8(5H)-one from recombinant human P2X7 receptor expressed in human 1321N1 cell membranes after 1 hr
50047862	5	ChEMBL_1616315 (CHEMBL3858384)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC/MS/MS analysis
50047862	6	ChEMBL_1616316 (CHEMBL3858385)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 15 mins by LC/MS/MS analysis
50047862	7	ChEMBL_1616304 (CHEMBL3858373)	Antagonist activity at recombinant rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubated for 30 mins followed by agonist addition measured after 180 sec by calcium-4 dye based FLIPR assay
50047862	8	ChEMBL_1616390 (CHEMBL3858459)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in 4-OH-midazolam formation by LC/MS/MS analysis
50047862	9	ChEMBL_1616307 (CHEMBL3858376)	Antagonist activity at recombinant human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubated for 30 mins followed by agonist addition measured after 180 sec by calcium-4 dye based FLIPR assay
50047862	10	ChEMBL_1616389 (CHEMBL3858458)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in 1-OH-midazolam formation by LC/MS/MS analysis
50047862	11	ChEMBL_1616313 (CHEMBL3858382)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC/MS/MS analysis
50047862	12	ChEMBL_1616308 (CHEMBL3858377)	Antagonist activity at recombinant mouse P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of Bz-ATP-induced Ca2+ flux preincubated for 30 mins followed by agonist addition measured after 180 sec by calcium-4 dye based FLIPR assay
50047862	13	ChEMBL_1616317 (CHEMBL3858386)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins by LC/MS/MS analysis
50047862	14	ChEMBL_1616303 (CHEMBL3858372)	Antagonist activity at P2X7 receptor in LPS-stimulated human PBMC assessed as inhibition of Bz-ATP-induced IL-1beta release incubated for 30 mins after LPS stimulation for 1 hr followed by agonist addition measured after 1.5 hrs by ELISA
50047862	15	ChEMBL_1616350 (CHEMBL3858419)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by HPLC analysis
50047862	16	ChEMBL_1616319 (CHEMBL3858388)	Antagonist activity at P2X7 receptor in LPS-stimulated mouse whole blood assessed as inhibition of Bz-ATP-induced IL-1beta release incubated for 30 mins after LPS stimulation for 1 hr followed by agonist addition measured after 1.5 hrs by ELISA
50047863	1	ChEMBL_1616392 (CHEMBL3858461)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method
50047864	1	ChEMBL_1616436 (CHEMBL3858505)	Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation for 20 to 24 hrs by LC/MS/MS analysis
50047864	2	ChEMBL_1616454 (CHEMBL3858523)	Inhibition of mPGES-1 in dog whole blood
50047864	3	ChEMBL_1616460 (CHEMBL3858529)	Inhibition of mPGES-1 (unknown origin)
50047864	4	ChEMBL_1616434 (CHEMBL3858503)	Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis
50047864	5	ChEMBL_1616453 (CHEMBL3858522)	Inhibition of dog mPGES-1
50047864	6	ChEMBL_1616435 (CHEMBL3858504)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 mins measured after 18 hrs by ELISA
50047865	1	ChEMBL_1616557 (CHEMBL3858626)	Binding affinity to MCHR1 (unknown origin)
50047865	2	ChEMBL_1616556 (CHEMBL3858625)	Binding affinity to rat MCHR1
50047866	1	ChEMBL_1616611 (CHEMBL3858680)	Displacement of [3H]pCl-DPDPE from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50047866	2	ChEMBL_1616614 (CHEMBL3858683)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS assay
50047866	3	ChEMBL_1616609 (CHEMBL3858678)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50047866	4	ChEMBL_1616610 (CHEMBL3858679)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50047867	1	ChEMBL_1616621 (CHEMBL3858690)	Inhibition of iNOS in mouse BV2 cells assessed as inhibition of LPS-induced NO production after 20 hrs by Griess reaction
50047868	1	ChEMBL_1616629 (CHEMBL3858698)	Antagonist activity at recombinant human N-terminal His-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS using biotin-labeled H3K9me3 measured after 30 mins by AlphaScreen assay
50047868	2	ChEMBL_1616630 (CHEMBL3858699)	Antagonist activity at recombinant human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS using biotin-labeled H3K9me3 measured after 30 mins by AlphaScreen assay
50047868	3	ChEMBL_1616628 (CHEMBL3858697)	Antagonist activity at recombinant human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS using biotin-labeled H3K9me3 measured after 30 mins by AlphaScreen assay
50047868	4	ChEMBL_1616626 (CHEMBL3858695)	Antagonist activity at recombinant human N-terminal His-tagged CBX5 chromodomain (18 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS using ARTKQTARK(Me3)STGGKAPRKQL-K(Biotin)-NH2 measured after 30 mins by AlphaScreen assay
50047868	5	ChEMBL_1616627 (CHEMBL3858696)	Antagonist activity at recombinant human C-terminal His-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS using biotin-labeled H3K9me3 measured after 30 mins by AlphaScreen assay
50047868	6	ChEMBL_1616653 (CHEMBL3858722)	Binding affinity to human N-terminal His-tagged CBX4 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	7	ChEMBL_1616632 (CHEMBL3858701)	Binding affinity to human N-terminal GST-tagged CDYL1b chromodomain (1 to 78 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	8	ChEMBL_1616634 (CHEMBL3858703)	Binding affinity to human N-terminal his-tagged CBX8 chromodomain (8 to 61 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	9	ChEMBL_1616637 (CHEMBL3858706)	Binding affinity to CBX5 chromodomain (unknown origin) by ITC method
50047868	10	ChEMBL_1616652 (CHEMBL3858721)	Binding affinity to human C-terminal His-tagged CBX7 chromodomain (8 to 62 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	11	ChEMBL_1616639 (CHEMBL3858708)	Binding affinity to CBX3 chromodomain (unknown origin) by ITC method
50047868	12	ChEMBL_1616631 (CHEMBL3858700)	Binding affinity to human N-terminal GST-tagged CDYL2 chromodomain (1 to 75 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	13	ChEMBL_1616635 (CHEMBL3858704)	Binding affinity to human N-terminal his-tagged CBX6 chromodomain (8 to 65 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	14	ChEMBL_1616636 (CHEMBL3858705)	Binding affinity to human N-terminal his-tagged CBX2 chromodomain (9 to 66 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047868	15	ChEMBL_1616638 (CHEMBL3858707)	Binding affinity to CBX1 chromodomain (unknown origin) by ITC method
50047868	16	ChEMBL_1616633 (CHEMBL3858702)	Binding affinity to human N-terminal GST-tagged CDY1 chromodomain (1 to 101 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC method
50047869	1	ChEMBL_1616765 (CHEMBL3858834)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50047869	2	ChEMBL_1616766 (CHEMBL3858835)	Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50047869	3	ChEMBL_1616764 (CHEMBL3858833)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using DMAPEA as substrate by HPLC analysis
50047869	4	ChEMBL_1616763 (CHEMBL3858832)	Inhibition of Wistar rat liver mitochondrial MAO-A using benzylamine hydrochloride as substrate after 1 hr by spectrophotometric analysis
50047869	5	ChEMBL_1616770 (CHEMBL3858839)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins
50047870	1	ChEMBL_1616775 (CHEMBL3858844)	Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated for 30 mins prior to [35S]GTPgamma addition measured after 30 mins by scintillation counting method
50047870	2	ChEMBL_1616809 (CHEMBL3858878)	Displacement of [3H]8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine from mGlu2 receptor (unknown origin)
50047870	3	ChEMBL_1616814 (CHEMBL3858883)	Inhibition of CYP2C19 (unknown origin)
50047870	4	ChEMBL_1616811 (CHEMBL3858880)	Inhibition of CYP2C9 (unknown origin)
50047870	5	ChEMBL_1616815 (CHEMBL3858884)	Inhibition of CYP2C8 (unknown origin)
50047870	6	ChEMBL_1616782 (CHEMBL3858851)	Positive allosteric modulation of wild-type human mGlu2 receptor expressed in CHO-K1 cells assessed as potentiation of glutamate-induced effect incubated for 30 mins prior to [35S]GTPgamma addition measured after 30 mins by scintillation counting method
50047870	7	ChEMBL_1616813 (CHEMBL3858882)	Inhibition of CYP1A2 (unknown origin)
50047870	8	ChEMBL_1616810 (CHEMBL3858879)	Inhibition of CYP3A4 (unknown origin)
50047870	9	ChEMBL_1616812 (CHEMBL3858881)	Inhibition of CYP2D6 (unknown origin)
50047871	1	ChEMBL_1616836 (CHEMBL3858905)	Inhibition of full length recombinant human His-tagged BTK expressed in baculovirus using fluoresceinated peptide incubated for 60 mins by fluorescent assay
50047871	2	ChEMBL_1616863 (CHEMBL3858932)	Inhibition of BTK in human peripheral B cells assessed as suppression of CD40/CD40L-stimulated CD69 surface expression
50047871	3	ChEMBL_1616837 (CHEMBL3858906)	Inhibition of BTK in human Ramos-B cells assessed as suppression of BCR/anti-IgG-stimulated Ca2+ flux after 1 hr incubation in dark by FLIPR1 assay
50047871	4	ChEMBL_1616838 (CHEMBL3858907)	Inhibition of BTK in human whole blood assessed as suppression of BCR/anti-IgM/IgG-stimulated CD69 surface expression after 18 hrs with agitation by FITC-staining based FACS analysis
50047871	5	ChEMBL_1616892 (CHEMBL3858961)	Inhibition of BLK (unknown origin)
50047871	6	ChEMBL_1616893 (CHEMBL3858962)	Inhibition of TXK (unknown origin)
50047871	7	ChEMBL_1616839 (CHEMBL3858908)	Inhibition of human ERG by patch clamp assay
50047871	8	ChEMBL_1616875 (CHEMBL3858944)	Inhibition of CYP1A2 (unknown origin)
50047871	9	ChEMBL_1616878 (CHEMBL3858947)	Inhibition of CYP2C8 (unknown origin)
50047871	10	ChEMBL_1616891 (CHEMBL3858960)	Inhibition of ITK (unknown origin)
50047871	11	ChEMBL_1616894 (CHEMBL3858963)	Inhibition of BMX (unknown origin)
50047871	12	ChEMBL_1616895 (CHEMBL3858964)	Inhibition of LCK (unknown origin)
50047871	13	ChEMBL_1616862 (CHEMBL3858931)	Inhibition of BTK in human peripheral B cells assessed as suppression of BCR/anti-IgM/IgG-stimulated CD86 surface expression
50047871	14	ChEMBL_1616865 (CHEMBL3858934)	Inhibition of ITK in human peripheral T cells assessed as suppression of TCR/anti-CD3-stimulated protein catalyzed PLCgamma1 phosphorylation
50047871	15	ChEMBL_1616868 (CHEMBL3858937)	Inhibition of BTK in human whole blood basophils assessed as suppression of FceRI/anti-IgE-stimulated CD63 surface expression
50047871	16	ChEMBL_1616861 (CHEMBL3858930)	Inhibition of BTK in human peripheral B cells assessed as suppression of BCR/anti-IgM/IgG-stimulated cell proliferation
50047871	17	ChEMBL_1616864 (CHEMBL3858933)	Inhibition of BTK in human PBM cells assessed as suppression of FCRgammaR/immune complex-stimulated TNFalpha production
50047871	18	ChEMBL_1616867 (CHEMBL3858936)	Inhibition of BTK in mouse whole blood assessed as suppression of BCR/anti-IgM/IgG-stimulated CD69 surface expression after 18 hrs with agitation by FITC-staining based FACS analysis
50047871	19	ChEMBL_1616881 (CHEMBL3858950)	Inhibition of CYP2C19 (unknown origin)
50047871	20	ChEMBL_1616866 (CHEMBL3858935)	Inhibition of LCK in human peripheral T cells assessed as suppression of TCR-dependant cell proliferation
50047871	21	ChEMBL_1616890 (CHEMBL3858959)	Inhibition of TEC (unknown origin)
50047871	22	ChEMBL_1616882 (CHEMBL3858951)	Inhibition of CYP3A4 (unknown origin)
50047871	23	ChEMBL_1616876 (CHEMBL3858945)	Inhibition of CYP2B6 (unknown origin)
50047871	24	ChEMBL_1616896 (CHEMBL3858965)	Inhibition of SRC (unknown origin)
50047871	25	ChEMBL_1616880 (CHEMBL3858949)	Inhibition of CYP2C9 (unknown origin)
50047871	26	ChEMBL_1616877 (CHEMBL3858946)	Inhibition of CYP2D6 (unknown origin)
50047872	1	ChEMBL_1616974 (CHEMBL3859043)	Inhibition of human full length PRMT6 (1 to 375 residues) expressed in baculovirus expression system assessed as inhibition of methylation activity preincubated with protein followed by addition of biotin labeled histone H4 (1 to 24) peptide as substrate and [3H]-SAM measured after 3 hrs by scintillation proximity assay
50047872	2	ChEMBL_1616973 (CHEMBL3859042)	Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with protein followed by addition of biotin labeled histone H3 (1 to 25) peptide as substrate and [3H]-SAM measured after 3 hrs by scintillation proximity assay
50047872	3	ChEMBL_1616967 (CHEMBL3859036)	Inhibition of human full length GST-tagged PRMT4 assessed as inhibition of histone H3 methylation measured after 60 to 90 mins using [3H]-SAM by TopCount scintillation counting method
50047872	4	ChEMBL_1617023 (CHEMBL3859092)	Binding affinity to human PRMT4 in presence of SAH by ITC method
50047872	5	ChEMBL_1616975 (CHEMBL3859044)	Inhibition of PRMT1 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity assay
50047872	6	ChEMBL_1617024 (CHEMBL3859093)	Binding affinity to human PRMT6 in presence of SAH by ITC method
50047872	7	ChEMBL_1616972 (CHEMBL3859041)	Inhibition of human PRMT8 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation proximity assay
50047872	8	ChEMBL_1616968 (CHEMBL3859037)	Inhibition of human PRMT1 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation proximity assay
50047872	9	ChEMBL_1617020 (CHEMBL3859089)	Displacement of [3H]pentazocine from guinea pig sigma1 receptor
50047872	10	ChEMBL_1616980 (CHEMBL3859049)	Inhibition of PRMT8 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity assay
50047872	11	ChEMBL_1616976 (CHEMBL3859045)	Inhibition of PRMT3 (unknown origin) assessed as inhibition of methylation activity measured after 3 hrs using [3H]-SAM by scintillation proximity assay
50047872	12	ChEMBL_1617029 (CHEMBL3859098)	Inhibition of wild-type FLAG-tagged PRMT6 (unknown origin) expressed in HEK293 cells assessed as reduction in H3R2me2a level measured after 20 hrs by western blot analysis
50047872	13	ChEMBL_1617030 (CHEMBL3859099)	Inhibition of PRMT4 in HEK293 cells assessed as reduction in Med12-Rme2a level measured after 72 hrs by western blot analysis
50047872	14	ChEMBL_1616970 (CHEMBL3859039)	Inhibition of human PRMT4 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation proximity assay
50047872	15	ChEMBL_1616969 (CHEMBL3859038)	Inhibition of human PRMT3 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation proximity assay
50047872	16	ChEMBL_1616971 (CHEMBL3859040)	Inhibition of human PRMT6 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation proximity assay
50047872	17	ChEMBL_1617021 (CHEMBL3859090)	Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor expressed HEK Flp-In cell membranes
50047873	1	ChEMBL_1617080 (CHEMBL3859149)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by spectrophotometric analysis
50047874	1	ChEMBL_1617109 (CHEMBL3859178)	Antagonist activity at P2X7 receptor in human whole blood assessed as reduction in LPS/BzATP-induced IL-1beta release preincubated with LPS-stimulated cells for 30 mins followed by BzATP addition measured after 1.5 hrs by ELISA
50047874	2	ChEMBL_1617108 (CHEMBL3859177)	Antagonist activity at mouse P2X7 receptor assessed as reduction in calcium flux by FLIPR calcium flux assay
50047874	3	ChEMBL_1617107 (CHEMBL3859176)	Antagonist activity at human P2X7 receptor assessed as reduction in calcium flux by FLIPR assay
50047874	4	ChEMBL_1617110 (CHEMBL3859179)	Antagonist activity at P2X7 receptor in C57/bl6 mouse whole blood assessed as reduction in LPS/BzATP-induced IL-1beta release preincubated with LPS-stimulated cells for 30 mins followed by BzATP addition measured after 1.5 hrs by ELISA
50047875	1	ChEMBL_1617131 (CHEMBL3859200)	Displacement of europium-labeled urotensin-2 from human recombinant urotensin-2 receptor expressed in HEK293 cell membranes after 90 mins by filtration based time resolved fluorometric assay
50047876	1	ChEMBL_1617375 (CHEMBL3859444)	Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human N-terminal myc-tagged PLK1 polo-box domain (365 to 653 residues) expressed in HEK293T cells after 1 hr by ELISA
50047876	2	ChEMBL_1617376 (CHEMBL3859445)	Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to human full length N-terminal myc-tagged PLK1 expressed in HEK293T cells after 1 hr by ELISA
50047877	1	ChEMBL_1617419 (CHEMBL3859488)	Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of hypotonic solution-induced calcium mobilization by FLIPR assay
50047877	2	ChEMBL_1617390 (CHEMBL3859459)	Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FLIPR assay
50047877	3	ChEMBL_1617395 (CHEMBL3859464)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as blockade of 100 nM capsaicin-induced calcium mobilization by FLIPR assay
50047877	4	ChEMBL_1617393 (CHEMBL3859462)	Antagonist activity at rat recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 300 nM 4alphaPDD-induced calcium mobilization by FLIPR assay
50047877	5	ChEMBL_1617404 (CHEMBL3859473)	Inhibition of human ERG
50047878	1	ChEMBL_1617467 (CHEMBL3859536)	Inhibition of human SIRT2 preincubated with enzyme followed by Fluor de Lys substrate addition by fluorescence-based assay
50047878	2	ChEMBL_1617466 (CHEMBL3859535)	Inhibition of human SIRT1 preincubated with enzyme followed by Fluor de Lys substrate addition by fluorescence-based assay
50047878	3	ChEMBL_1617464 (CHEMBL3859533)	Inhibition of human recombinant GST-fused SIRT1 expressed in Escherichia coli DH5-alpha using [3H]acetic acid labeled MPSDKTIGG as substrate after overnight incubation by liquid scintillation counting method
50047878	4	ChEMBL_1617465 (CHEMBL3859534)	Inhibition of human recombinant GST-fused SIRT2 expressed in Escherichia coli DH5-alpha using [3H]acetic acid labeled MPSDKTIGG as substrate after overnight incubation by liquid scintillation counting method
50047879	1	ChEMBL_1617510 (CHEMBL3859579)	Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by microchip-type capillary electrophoresis method
50047879	2	ChEMBL_1617512 (CHEMBL3859581)	Inhibition of renin in human plasma by radioimmunoassay
50047879	3	ChEMBL_1617525 (CHEMBL3859594)	Inhibition of recombinant human renin expressed in FreeStyle 293 expression system
50047879	4	ChEMBL_1617511 (CHEMBL3859580)	Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by ELISA
50047879	5	ChEMBL_1617514 (CHEMBL3859583)	Inhibition of cathepsin D (unknown origin)
50047880	1	ChEMBL_1617586 (CHEMBL3859655)	Inhibition of human recombinant cathepsin B
50047880	2	ChEMBL_1617566 (CHEMBL3859635)	Inhibition of human ERG
50047880	3	ChEMBL_1617590 (CHEMBL3859659)	Inhibition of human recombinant cathepsin Z
50047880	4	ChEMBL_1617560 (CHEMBL3859629)	Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50047880	5	ChEMBL_1617559 (CHEMBL3859628)	Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50047880	6	ChEMBL_1617587 (CHEMBL3859656)	Inhibition of human recombinant cathepsin K
50047880	7	ChEMBL_1617600 (CHEMBL3859669)	Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-pNA as substrate by colorimetric method
50047880	8	ChEMBL_1617582 (CHEMBL3859651)	Inhibition of dog DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50047880	9	ChEMBL_1617585 (CHEMBL3859654)	Inhibition of human recombinant cathepsin L
50047880	10	ChEMBL_1617589 (CHEMBL3859658)	Inhibition of human recombinant cathepsin E
50047880	11	ChEMBL_1617591 (CHEMBL3859660)	Inhibition of human recombinant cathepsin H
50047880	12	ChEMBL_1617597 (CHEMBL3859666)	Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells
50047880	13	ChEMBL_1617599 (CHEMBL3859668)	Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of proteinase 3 using aminobenzoyl-Val-Ala-Asp-Cys-Ala-Asp-Gln-ethylenediamine 2,4-dinitrophenyl as substrate by fluorometric method
50047880	14	ChEMBL_1617580 (CHEMBL3859649)	Inhibition of mouse DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50047880	15	ChEMBL_1617584 (CHEMBL3859653)	Inhibition of human recombinant cathepsin S
50047880	16	ChEMBL_1617588 (CHEMBL3859657)	Inhibition of human recombinant cathepsin D
50047880	17	ChEMBL_1617592 (CHEMBL3859661)	Inhibition of human recombinant cathepsin G
50047880	18	ChEMBL_1617598 (CHEMBL3859667)	Inhibition of DPP1 in human primary bone marrow-derived CD34+ neutrophil progenitor cells assessed as inactivation of neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-AMC as substrate by fluorometric method
50047880	19	ChEMBL_1617581 (CHEMBL3859650)	Inhibition of rat DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50047880	20	ChEMBL_1617595 (CHEMBL3859664)	Reversible inhibition of human recombinant DPP1 by surface plasmon resonance direct binding assay
50047881	1	ChEMBL_1617621 (CHEMBL3859690)	Antagonist activity at human full-length N-terminal SNAP-tagged alpha1B adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 10 mins followed by agonist addition by fluo-4 AM dye-based assay
50047881	2	ChEMBL_1617622 (CHEMBL3859691)	Antagonist activity at human full-length N-terminal SNAP-tagged alpha1D adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 10 mins followed by agonist addition by fluo-4 AM dye-based assay
50047881	3	ChEMBL_1617618 (CHEMBL3859687)	Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 10 mins followed by agonist addition by fluo-4 AM dye-based assay
50047881	4	ChEMBL_1617620 (CHEMBL3859689)	Displacement of [125I]-BE2254 from Wistar rat alpha1A adrenoceptor after 20 mins
50047881	5	ChEMBL_1617625 (CHEMBL3859694)	Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat urethra assessed as inhibition of norepinephrine-induced smooth muscle contraction after 20 mins
50047881	6	ChEMBL_1617626 (CHEMBL3859695)	Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat aorta assessed as inhibition of norepinephrine-induced smooth muscle contraction after 20 mins
50047881	7	ChEMBL_1617630 (CHEMBL3859699)	Inhibition of human ERG
50047882	1	ChEMBL_1617650 (CHEMBL3859719)	Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay
50047882	2	ChEMBL_1617651 (CHEMBL3859720)	Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay
50047882	3	ChEMBL_1617652 (CHEMBL3859721)	Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay
50047883	1	ChEMBL_1617704 (CHEMBL3859773)	Inhibition of human recombinant renin expressed in FreeStyle 293 expression system using FITC-epsilonAcp-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by microchip type capillary electrophoresis method
50047884	1	ChEMBL_1617724 (CHEMBL3859793)	Inhibition of His-SUMO-fused MLL1 (3762 to 3969 residues) interaction with His-SUMO-fused ASH2L/RBBP5/WDR5 (23 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 pLyss codon (+) assessed as decrease in methylation of Lys4 residue of histone H3 10-residue peptide using [3H]-S-adenosylmethionine as methyl donor preincubated for 2 to 5 mins with ASH2L/RBBP5/WDR5 followed by MLL1 addition measured after 30 mins by scintillation counting method
50047884	2	ChEMBL_1617718 (CHEMBL3859787)	Inhibition of recombinant MLL1 (unknown origin) interaction with recombinant ASH2L/RBBP5/WDR5 (unknown origin) assessed as decrease in histone methylation after 60 mins by Alpha Screen assay
50047884	3	ChEMBL_1617717 (CHEMBL3859786)	Inhibition of C-terminal 5-FAM-ARTEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay
50047884	4	ChEMBL_1617727 (CHEMBL3859796)	Inhibition of N-terminal FITC-GSARAEVHLRKS binding to WDR5 (unknown origin) by fluorescence polarization assay
50047884	5	ChEMBL_1617725 (CHEMBL3859794)	Inhibition of C-terminal 5-FAM-WIN peptide binding to N-terminal His-tagged WDR5 (24 to 334 residues) (unknown origin) expressed in Rosetta2-(DE3) pLysS cells after 5 hrs by fluorescence polarization assay
50047884	6	ChEMBL_1617726 (CHEMBL3859795)	Inhibition of His-SUMO-fused MLL1 (3762 to 3969 residues) interaction with His-SUMO-fused ASH2L/RBBP5/WDR5 (23 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 pLyss codon (+) assessed as decrease in methylation of Lys4 residue of histone H3 10-residue peptide using [3H]-S-adenosylmethionine as methyl donor after 2 hrs by scintillation counting method
50047885	1	ChEMBL_1617729 (CHEMBL3859798)	Inhibition of G9a (unknown origin) using biotinylated-histone H3 (1 to 21 residues)/S-adenosyl-methionine as substrate/methyl donor after 3 hrs by AlphaScreen assay
50047885	2	ChEMBL_1617770 (CHEMBL3859839)	Inhibition of G9a (unknown origin)
50047885	3	ChEMBL_1617768 (CHEMBL3859837)	Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues)
50047885	4	ChEMBL_1617767 (CHEMBL3859836)	Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured for 20 mins by SAHH-coupled assay
50047885	5	ChEMBL_1617769 (CHEMBL3859838)	Inhibition of N-terminal hexahistidine-tagged human G9a (913 to 1193 residues) expressed in Escherichia coli BL21 (DE3)-Gold cells using histone H3 (1 to 15 residues) as substrate preincubated for 20 mins followed by substrate addition by mass spectrometry
50047886	1	ChEMBL_1617787 (CHEMBL3859856)	Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using SAMS peptide substrate after 30 mins in presence of [33P]ATP by TopCount analysis
50047886	2	ChEMBL_1617811 (CHEMBL3859880)	Activation of human recombinant AMPK alpha1 (1 to 394 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 mins in presence of [gamma33P]ATP by scintillation counting method
50047886	3	ChEMBL_1617799 (CHEMBL3859868)	Activation of full length human recombinant N-terminal GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus infected High Five cells using NH2-HMRSAMSGLHLVKRR CONH2 substrate after 60 mins by ADP-Glo kinase assay
50047886	4	ChEMBL_1617778 (CHEMBL3859847)	Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide substrate preincubated for 15 mins followed by PP2A addition for 90 mins followed by substrate addition measured after 60 mins in presence of [33P]ATP by scintillation counting method
50047886	5	ChEMBL_1617782 (CHEMBL3859851)	Activation of recombinant human His-tagged AMPK alpha2 (2 to 552 residues)/beta1 (2 to 270 residues)/gamma2 (2 to 569 residues) expressed in baculovirus infected sf21 cells preincubated for 30 mins followed by biotinylated ACC-CREBp peptide substrate addition measured after 45 mins by HTRF assay
50047886	6	ChEMBL_1617812 (CHEMBL3859881)	Activation of human recombinant AMPK alpha2 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 mins in presence of [gamma33P]ATP by scintillation counting method
50047886	7	ChEMBL_1617794 (CHEMBL3859863)	Activation of full length human recombinant AMPK alpha2/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate after 45 mins by fluorescence assay
50047886	8	ChEMBL_1617788 (CHEMBL3859857)	Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate after 45 mins by fluorescence assay
50047886	9	ChEMBL_1617780 (CHEMBL3859849)	Activation of human recombinant AMPK beta1 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	10	ChEMBL_1617777 (CHEMBL3859846)	Activation of full length human His/GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system after 1 hr by Z'Lyte assay
50047886	11	ChEMBL_1617773 (CHEMBL3859842)	Binding affinity for full length human N-terminal His/BAP-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus by surface plasmon resonance method
50047886	12	ChEMBL_1617810 (CHEMBL3859879)	Activation of human recombinant AMPK GST-tagged alpha1/Myc-tagged beta1/HA-tagged gamma1 expressed in African green monkey COS7 cells assessed as increase in SAMS peptide phosphorylation measured after 10 mins in presence of [gamma33P]ATP by scintillation counting method relative to control
50047886	13	ChEMBL_1617806 (CHEMBL3859875)	Activation of human recombinant AMPK alpha2/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	14	ChEMBL_1617802 (CHEMBL3859871)	Activation of human recombinant AMPK alpha2/beta1/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	15	ChEMBL_1617808 (CHEMBL3859877)	Activation of human recombinant AMPK alpha2/beta2/gamma3 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	16	ChEMBL_1617813 (CHEMBL3859882)	Activation of human recombinant AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS peptide after 10 mins in presence of [gamma33P]ATP by scintillation counting
50047886	17	ChEMBL_1617781 (CHEMBL3859850)	Activation of human recombinant AMPK beta2 expressed in African green monkey COS7 cells or baculovirus infected insect cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	18	ChEMBL_1617804 (CHEMBL3859873)	Activation of human recombinant AMPK alpha1/beta2/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047886	19	ChEMBL_1617800 (CHEMBL3859869)	Activation of human recombinant AMPK alpha1/beta1/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to 120 residues) peptide phosphorylation at Ser-79 residue measured after 60 mins by Alphascreen assay
50047887	1	ChEMBL_1617830 (CHEMBL3859899)	Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured after 15 mins by fluorescence assay
50047887	2	ChEMBL_1617829 (CHEMBL3859898)	Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured after 30 mins by fluorescence assay
50047888	1	ChEMBL_1617903 (CHEMBL3859972)	Inhibition of LPA3 (unknown origin)
50047888	2	ChEMBL_1617900 (CHEMBL3859969)	Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated with compound followed by LPA addition by fluorescence assay
50047888	3	ChEMBL_1617902 (CHEMBL3859971)	Inhibition of LPA2 (unknown origin)
50047889	1	ChEMBL_1617920 (CHEMBL3859989)	Inhibition of renin in human plasma by radioimmunoassay
50047889	2	ChEMBL_1617919 (CHEMBL3859988)	Inhibition of recombinant human preprorenin expressed in human 293F cells using angiotensinogen as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by ELISA
50047889	3	ChEMBL_1617925 (CHEMBL3859994)	Inhibition of cathepsin D (unknown origin)
50047890	1	ChEMBL_1617949 (CHEMBL3860118)	Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli assessed as dissociation constant by SPR assay
50047890	2	ChEMBL_1617950 (CHEMBL3860119)	Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition
50047890	3	ChEMBL_1617948 (CHEMBL3860117)	Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli assessed as dissociation rate constant by SPR assay
50047891	1	ChEMBL_1617982 (CHEMBL3860151)	Inhibition of human recombinant MAOB using p-tyramine as substrate incubated for 15 mins by fluorimetric method
50047891	2	ChEMBL_1617981 (CHEMBL3860150)	Inhibition of human recombinant MAOA using p-tyramine as substrate incubated for 15 mins by fluorimetric method
50047891	3	ChEMBL_1617977 (CHEMBL3860146)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by Ellman's method
50047891	4	ChEMBL_1617979 (CHEMBL3860148)	Inhibition of human serum BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by Ellman's method
50047892	1	ChEMBL_1617999 (CHEMBL3860168)	Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli BL21 CodonPlus by pyruvate kinase/lactate dehydrogenase-linked assay
50047892	2	ChEMBL_1618000 (CHEMBL3860169)	Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli BL21 CodonPlus by pyruvate kinase/lactate dehydrogenase-linked assay
50047892	3	ChEMBL_1618002 (CHEMBL3860171)	Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL21 CodonPlus by pyruvate kinase/lactate dehydrogenase-linked assay
50047892	4	ChEMBL_1618032 (CHEMBL3860201)	Inhibition of microtubule-stimulated ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay
50047892	5	ChEMBL_1618019 (CHEMBL3860188)	Inhibition of basal ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay
50047892	6	ChEMBL_1618001 (CHEMBL3860170)	Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL21 CodonPlus by pyruvate kinase/lactate dehydrogenase-linked assay
50047893	1	ChEMBL_1618119 (CHEMBL3860288)	Competitive inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluorescence assay
50047893	2	ChEMBL_1618120 (CHEMBL3860289)	Competitive inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 mins by fluorescence assay
50047893	3	ChEMBL_1618121 (CHEMBL3860290)	Competitive inhibition of trypsin-like activity of human 20S proteasome using Boc-Leu-Arg-Arg-AMC as substrate measured for 10 mins by fluorescence assay
50047894	1	ChEMBL_1618140 (CHEMBL3860309)	Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as residual activity by fluorescence assay
50047894	2	ChEMBL_1618142 (CHEMBL3860311)	Binding affinity to Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using fluorescein-tagged compound after 15 mins by fluorescence polarization
50047894	3	ChEMBL_1618147 (CHEMBL3860316)	Inhibition of SrtA-mediated incorporation of Fluo-GSLPETGGS substrate to cell wall of Staphylococcus aureus Newman after 24 hrs by fluorescence assay
50047894	4	ChEMBL_1618150 (CHEMBL3860319)	Inhibition of human uPA using fluorogenic Z-Gly-Gly-Arg-AMC as substrate
50047895	1	ChEMBL_1618156 (CHEMBL3860325)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50047896	1	ChEMBL_1618171 (CHEMBL3860340)	Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
50047896	2	ChEMBL_1618160 (CHEMBL3860329)	Agonist activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay
50047896	3	ChEMBL_1618192 (CHEMBL3860361)	Agonist activity at Smo in mouse NIH/3T3 cells transfected with Gli-dependent firefly luciferase reporter assessed as stimulation of Gli transcription factor
50047897	1	ChEMBL_1618210 (CHEMBL3860379)	Inhibition of CYP3A4 (unknown origin)
50047897	2	ChEMBL_1618212 (CHEMBL3860381)	Inhibition of CYP2C9 (unknown origin)
50047897	3	ChEMBL_1618202 (CHEMBL3860371)	Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA method
50047897	4	ChEMBL_1618211 (CHEMBL3860380)	Inhibition of CYP2D6 (unknown origin)
50047897	5	ChEMBL_1618205 (CHEMBL3860374)	Inhibition of wild type human EGFR phosphorylation expressed in mouse NIH/3T3 cells incubated for 3 hrs by ELISA method
50047897	6	ChEMBL_1618196 (CHEMBL3860365)	Inhibition of N-terminal 6x-HIS-tagged wild type human recombinant EGFR (696 to 1022 residues) expressed in Sf9 cells pre-incubated for 90 mins followed by 10 uM ATP addition by HTRF assay
50047898	1	ChEMBL_1618264 (CHEMBL3860433)	Displacement of [125I]-CXCL12 from HA-tagged human recombinant CXCR4 expressed in HEK293 cells incubated for 1 hr by gamma-radiation counting analysis
50047898	2	ChEMBL_1618265 (CHEMBL3860434)	Agonist activity at HA-tagged human CXCR4 receptor expressed in HEK293 cells co-transfected with Galphai1-91-RlucII, Gbeta1, and GFP10-G-gamma1 incubated for 7 mins by Galpha1 protein activation-based BRET assay
50047899	1	ChEBML_1618320	Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH
50047899	2	ChEMBL_1618320 (CHEMBL3860489)	Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH
50047900	1	ChEMBL_1618417 (CHEMBL3860586)	Agonist activity at C-terminal YFP-tagged human FFA4 expressed in HEK293 cells in presence of coelentrazine h by BRET based beta-arrestin-2 interaction assay
50047900	2	ChEMBL_1618421 (CHEMBL3860590)	Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG424-induced response by Fura2-AM dye based calcium mobilization assay
50047900	3	ChEMBL_1618439 (CHEMBL3860608)	Agonist activity mouse FFA4 by by BRET based beta-arrestin-2 interaction assay
50047900	4	ChEMBL_1618419 (CHEMBL3860588)	Agonist activity at human FFA4 expressed in human Flp-In T-REx293 cells by Fura2-AM dye based calcium mobilization assay
50047900	5	ChEMBL_1618437 (CHEMBL3860606)	Agonist activity mouse FFA4 by Gq-dependent calcium mobilization assay
50047900	6	ChEMBL_1618423 (CHEMBL3860592)	Agonist activity at human FFA4 expressed in CHO/NFAT-BLA cells assessed as effect on intracellular calcium concentration by Fluo-4 AM dye based FLIPR assay
50047900	7	ChEMBL_1618428 (CHEMBL3860597)	Antagonist activity against human FFA1 expressed in human Flp-In T-REx293 cells assessed as as reduction in TUG770-induced response by Fura2-AM dye based calcium mobilization assay
50047901	1	ChEMBL_1618529 (CHEMBL3860698)	Inhibition of human CYP3A4
50047901	2	ChEMBL_1618526 (CHEMBL3860695)	Inhibition of human CYP1A2
50047901	3	ChEMBL_1618520 (CHEMBL3860689)	Inhibition of [3H]choline uptake at human choline transporter expressed in HEK293 cells preincubated for 15 mins followed by [3H]choline addition measured after 10 to 15 mins by scintillation proximity assay
50047901	4	ChEMBL_1618527 (CHEMBL3860696)	Inhibition of human CYP2C9
50047901	5	ChEMBL_1618528 (CHEMBL3860697)	Inhibition of human CYP2D6
50047902	1	ChEMBL_1618551 (CHEMBL3860720)	Inhibition of PI3Kbeta (unknown origin) using L-a- phosphatidylinositol/OctylGlucoside as substrate after 10 mins by KinaseGlo luminescence assay
50047902	2	ChEMBL_1618554 (CHEMBL3860723)	Inhibition of PI3Kbeta (unknown origin) expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser473 residue
50047902	3	ChEMBL_1618553 (CHEMBL3860722)	Inhibition of PI3Kalpha (unknown origin) expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser473 residue
50047902	4	ChEMBL_1618552 (CHEMBL3860721)	Inhibition of PI3Kdelta (unknown origin) using phosphatidylinositol/PIP2:PS as substrate after 15 to 60 mins by TR-FRET assay
50047902	5	ChEMBL_1618550 (CHEMBL3860719)	Inhibition of PI3Kalpha (unknown origin) using L-a- phosphatidylinositol/OctylGlucoside as substrate after 10 mins by KinaseGlo luminescence assay
50047902	6	ChEMBL_1618555 (CHEMBL3860724)	Inhibition of PI3Kdelta (unknown origin) expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser473 residue
50047903	1	ChEMBL_1618632 (CHEMBL3860801)	Agonist activity at human KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye based FLIPR assay
50047903	2	ChEMBL_1618633 (CHEMBL3860802)	Agonist activity at rat KISS1R expressed in CHO/dhfr cells assessed as increase in intracellular Ca2+ levels measured for 180 secs by Fluo 3-AM dye based FLIPR assay
50047904	1	ChEMBL_1618726 (CHEMBL3860895)	Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after 60 mins by fluorescence analysis
50047905	1	ChEMBL_1618764 (CHEMBL3860933)	Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5.9 preincubated for 5 mins followed by addition of 4-Methylumbelliferyl beta-D-glucopyranoside as substrate measured after 30 mins by fluorescence analysis
50047905	2	ChEMBL_1618766 (CHEMBL3860935)	Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 7 preincubated for 5 mins followed by addition of 4-Methylumbelliferyl beta-D-glucopyranoside as substrate measured after 30 mins by fluorescence analysis
50047905	3	ChEMBL_1618765 (CHEMBL3860934)	Inhibition of synthetic recombinant wild type GCase enzyme velaglucerase alfa (unknown origin) at pH 5 preincubated for 5 mins followed by addition of 4-Methylumbelliferyl beta-D-glucopyranoside as substrate measured after 30 mins by fluorescence analysis
50047906	1	ChEMBL_1618809 (CHEMBL3860978)	Inhibition of HDAC3 (unknown origin)
50047906	2	ChEMBL_1618816 (CHEMBL3860985)	Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis
50047906	3	ChEMBL_1618821 (CHEMBL3860990)	Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30 mins by HTRF assay
50047906	4	ChEMBL_1618822 (CHEMBL3860991)	Inhibition of full length recombinant human C-terminal His/Flag-tagged HDAC1 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
50047906	5	ChEMBL_1618823 (CHEMBL3860992)	Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
50047906	6	ChEMBL_1618825 (CHEMBL3860994)	Inhibition of full length recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
50047906	7	ChEMBL_1618815 (CHEMBL3860984)	Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis
50047906	8	ChEMBL_1618824 (CHEMBL3860993)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
50047906	9	ChEMBL_1618811 (CHEMBL3860980)	Inhibition of recombinant HDAC1 (unknown origin)
50047906	10	ChEMBL_1618813 (CHEMBL3860982)	Inhibition of recombinant HDAC3 (unknown origin)
50047906	11	ChEMBL_1618857 (CHEMBL3861026)	Inhibition of full length recombinant human N-terminal GST tagged PDE9A2 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30 mins by HTRF assay
50047906	12	ChEMBL_1618858 (CHEMBL3861027)	Inhibition of recombinant N-terminal GST tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 cells using cGMP as substrate by malachite green reagent based assay
50047906	13	ChEMBL_1618859 (CHEMBL3861028)	Inhibition of recombinant PDE3A (unknown origin) expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by TR-FRET assay
50047906	14	ChEMBL_1618806 (CHEMBL3860975)	Inhibition of recombinant human PDE5A
50047906	15	ChEMBL_1618807 (CHEMBL3860976)	Inhibition of HDAC1 (unknown origin)
50047906	16	ChEMBL_1618812 (CHEMBL3860981)	Inhibition of recombinant HDAC2 (unknown origin)
50047906	17	ChEMBL_1618814 (CHEMBL3860983)	Inhibition of recombinant HDAC6 (unknown origin)
50047906	18	ChEMBL_1618818 (CHEMBL3860987)	Inhibition of full length recombinant human HDAC6 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis
50047906	19	ChEMBL_1618817 (CHEMBL3860986)	Inhibition of full length recombinant human HDAC3/NCOR2 expressed in baculovirus infected Sf9 cells using RHKK-Ac as substrate by fluorescence analysis
50047906	20	ChEMBL_1618810 (CHEMBL3860979)	Inhibition of HDAC6 (unknown origin)
50047906	21	ChEMBL_1618808 (CHEMBL3860977)	Inhibition of HDAC2 (unknown origin)
50047907	1	ChEMBL_1618862 (CHEMBL3861031)	Inhibition of human NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	2	ChEMBL_1618875 (CHEMBL3861044)	Inhibition of rat NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	3	ChEMBL_1618864 (CHEMBL3861033)	Inhibition of CYP2D6 in pooled human hepatic microsomes using dextromethorphan substrate in presence of NADPH
50047907	4	ChEMBL_1618878 (CHEMBL3861047)	Inhibition of human NHE1 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	5	ChEMBL_1618879 (CHEMBL3861048)	Inhibition of human NHE2 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	6	ChEMBL_1618916 (CHEMBL3861085)	Inhibition of CYP2C9 in pooled human hepatic microsomes using diclofenac substrate in presence of NADPH
50047907	7	ChEMBL_1618874 (CHEMBL3861043)	Inhibition of pig NHE3 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	8	ChEMBL_1618881 (CHEMBL3861050)	Inhibition of human NHE5 expressed in LAP1 cell assessed as intracellular pH recovery measured for 2 mins by CECF-AM dye based FLIPR assay
50047907	9	ChEMBL_1618865 (CHEMBL3861034)	Inhibition of CYP3A4 in pooled human hepatic microsomes using testosterone substrate in presence of NADPH
50047908	1	ChEMBL_1618939 (CHEMBL3861108)	Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after 24 hrs by Griess assay
50047909	1	ChEMBL_1619019 (CHEMBL3861188)	Inhibition of human recombinant liver glycogen phosphorylase A expressed in baculovirus infected Sf9 insect cells assessed as release of phosphate from glucose-1- phosphate in presence of 7.5 mM glucose by malachite green based assay
50047909	2	ChEMBL_1619029 (CHEMBL3861198)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as reduction in inorganic phosphate release using glucose-1-phosphate as substrate at pH 6.8
50047909	3	ChEMBL_1619028 (CHEMBL3861197)	Inhibition of rabbit muscle glycogen phosphorylase b
50047909	4	ChEMBL_1619017 (CHEMBL3861186)	Inhibition of rabbit muscle glycogen phosphorylase b using alpha-D-glucose-1-phosphate as substrate
50047909	5	ChEMBL_1619018 (CHEMBL3861187)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release using glucose-1-phosphate as substrate by double-reciprocal plot analysis
50047909	6	ChEMBL_1619020 (CHEMBL3861189)	Inhibition of rabbit muscle glycogen phosphorylase b using 10 mM of glucose-1-phosphate as substrate preincubated for 60 mins followed by substrate addition in presence of glycogen
50047910	1	ChEMBL_1619030 (CHEMBL3861199)	Inhibition of human recombinant N-terminal GST-tagged wild type EGFR cytoplasmic domain (695 end residues) autophosphorylation expressed in baculovirus infected Sf9 insect cells by ADP-Glo luminescence assay
50047911	1	ChEMBL_1619055 (CHEMBL3861224)	Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method
50047911	2	ChEMBL_1619057 (CHEMBL3861226)	Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method
50047911	3	ChEMBL_1619056 (CHEMBL3861225)	Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method
50047912	1	ChEMBL_1619071 (CHEMBL3861240)	Activation of human TRESK channel relative to control
50047912	2	ChEBML_1619071	Activation of human TRESK channel relative to control
50047912	4	ChEMBL_1619068 (CHEMBL3861237)	Activation of human TRESK channel expressed in HEK293 cells assessed as induction of channel current by whole cell patch clamp assay
50047912	3	ChEMBL_1619070 (CHEMBL3861239)	Channel blocking activity at human TRESK channel
50047913	1	ChEMBL_1619103 (CHEMBL3861272)	Inhibition of human recombinant mTOR using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	2	ChEMBL_1619079 (CHEMBL3861248)	Inhibition of PI3KC2alpha (unknown origin)
50047913	3	ChEMBL_1619105 (CHEMBL3861274)	Inhibition of human recombinant PI3Kgamma by luciferase-luciferin-coupled chemiluminescence assay
50047913	4	ChEMBL_1619091 (CHEMBL3861260)	Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane capture assay
50047913	5	ChEMBL_1619099 (CHEMBL3861268)	Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	6	ChEMBL_1619097 (CHEMBL3861266)	Inhibition of DNA-PK (unknown origin)
50047913	7	ChEMBL_1619081 (CHEMBL3861250)	Inhibition of PI3KC2gamma (unknown origin)
50047913	8	ChEMBL_1619094 (CHEMBL3861263)	Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane capture assay
50047913	9	ChEMBL_1619075 (CHEMBL3861244)	Inhibition of recombinant PI3Kalpha (unknown origin) by KinaseGlo assay
50047913	10	ChEMBL_1619095 (CHEMBL3861264)	Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane capture assay
50047913	11	ChEMBL_1619102 (CHEMBL3861271)	Inhibition of human recombinant Vps34 using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	12	ChEMBL_1619086 (CHEMBL3861255)	Inhibition of mTOR (unknown origin)
50047913	13	ChEMBL_1619076 (CHEMBL3861245)	ATP competitive inhibition of human recombinant PI3Kbeta assessed as PIP3 production by Alpha-screen assay
50047913	14	ChEMBL_1619077 (CHEMBL3861246)	Inhibition of human Vps34 assessed as reduction in lipid kinase activity using PV5122 substrate incubated for 1 hr by Adapta kinase assay
50047913	15	ChEMBL_1619078 (CHEMBL3861247)	Inhibition of GST-tagged human recombinant PI3KC2beta expressed in Sf9 cells
50047913	16	ChEMBL_1619088 (CHEMBL3861257)	Inhibition of his-tagged human recombinant PIK3CD/PIK3R1 by Select-screen kinase inhibitor assay
50047913	17	ChEMBL_1619096 (CHEMBL3861265)	Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane capture assay
50047913	18	ChEMBL_1619092 (CHEMBL3861261)	Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane capture assay
50047913	19	ChEMBL_1619074 (CHEMBL3861243)	Inhibition of recombinant PI3Kalpha (unknown origin)
50047913	20	ChEMBL_1619098 (CHEMBL3861267)	Inhibition of human recombinant PI3KC2alpha using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	21	ChEMBL_1619101 (CHEMBL3861270)	Inhibition of his-tagged human recombinant PIK3CD/PIK3R1 using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	22	ChEMBL_1619104 (CHEMBL3861273)	Inhibition of PI3Kgamma (unknown origin)
50047913	23	ChEMBL_1619083 (CHEMBL3861252)	Inhibition of Vps34 (unknown origin)
50047913	24	ChEMBL_1619080 (CHEMBL3861249)	Inhibition of PI3KC2beta (unknown origin)
50047913	25	ChEMBL_1619106 (CHEMBL3861275)	Inhibition of N-terminal tagged full-length human VPS34 by luciferase-luciferin-coupled chemiluminescence assay
50047913	26	ChEMBL_1619107 (CHEMBL3861276)	Inhibition of human DNA-PK by by luciferase-luciferin-coupled chemiluminescence assay
50047913	27	ChEMBL_1619090 (CHEMBL3861259)	Inhibition of human recombinant DNA-PK by Select-screen kinase inhibitor assay
50047913	28	ChEMBL_1619100 (CHEMBL3861269)	Inhibition of PI3Kalpha (unknown origin) using substrate PI incubated for 1 hr by Adapta kinase assay
50047913	29	ChEMBL_1619089 (CHEMBL3861258)	Inhibition of human recombinant Vps34 by Select-screen kinase inhibitor assay
50047913	30	ChEMBL_1619085 (CHEMBL3861254)	Inhibition of PI3Kalpha (unknown origin)
50047913	31	ChEMBL_1619108 (CHEMBL3861277)	Inhibition of N-terminal 6x-his-tagged human recombinant PIK3Cdelta (431 to 600 residues) expressed in Sdf9 cells using diC8-PIP2 incubated for 1 hr by transcreener ADP Assay
50047913	32	ChEMBL_1619087 (CHEMBL3861256)	Inhibition of human recombinant PI3KC2beta by Select-screen kinase inhibitor assay
50047914	1	ChEMBL_1619111 (CHEMBL3861280)	Displacement of fluorescent ES2 from recombinant human ERalpha after 2 hrs in absence of light by fluorometric analysis
50047914	2	ChEMBL_1619109 (CHEMBL3861278)	Inhibition of recombinant human microsomal CYP19 using MFC as substrate measured after 30 mins by fluorometric analysis
50047914	3	ChEMBL_1619113 (CHEMBL3861282)	Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysis
50047914	4	ChEMBL_1619116 (CHEMBL3861285)	Inhibition of recombinant human CYP19 expressed in baculovirus infected insect cells using MFC as substrate measured after 30 mins by fluorometric analysis
50047915	1	ChEMBL_1619166 (CHEMBL3861335)	Inhibition of HDAC1/HDAC2/HDAC3 in human HeLa nuclear extracts using MAL as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis
50047915	2	ChEMBL_1619167 (CHEMBL3861336)	Inhibition of human recombinant GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using MOCPAC as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis
50047915	3	ChEMBL_1619173 (CHEMBL3861342)	Inhibition of HDAC1 in human SHSY5Y cells using MOCPAC as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis
50047915	4	ChEMBL_1619168 (CHEMBL3861337)	Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using BATCP as substrate after 4 hrs by UHPLC-ESI-MS/MS analysis
50047915	5	ChEMBL_1619174 (CHEMBL3861343)	Inhibition of HDAC6 in human SHSY5Y cells using BATCP as substrate after 8 hrs by UHPLC-ESI-MS/MS analysis
50047916	1	ChEMBL_1619182 (CHEMBL3861351)	Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 35 degC by ITC method
50047916	2	ChEMBL_1619180 (CHEMBL3861349)	Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 15 degC by ITC method
50047916	3	ChEMBL_1619176 (CHEMBL3861345)	Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluorescence assay
50047916	4	ChEMBL_1619181 (CHEMBL3861350)	Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 25 degC by ITC method
50047916	5	ChEMBL_1619177 (CHEMBL3861346)	Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-Methylcoumarine as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluorescence assay
50047916	6	ChEMBL_1619185 (CHEMBL3861354)	Non-competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-Methylcoumarine as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluorescence assay
50047917	1	ChEMBL_1619192 (CHEMBL3861361)	Inhibition of CYP3A4 (unknown origin)
50047917	2	ChEMBL_1619187 (CHEMBL3861356)	Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins by TR-FRET assay
50047917	3	ChEMBL_1619193 (CHEMBL3861362)	Inhibition of CYP2D6 (unknown origin)
50047917	4	ChEMBL_1619188 (CHEMBL3861357)	Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay
50047917	5	ChEMBL_1619186 (CHEMBL3861355)	Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay
50047917	6	ChEMBL_1619194 (CHEMBL3861363)	Inhibition of CYP2C9 (unknown origin)
50047918	1	ChEMBL_1619236 (CHEMBL3861405)	Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence analysis
50047919	1	ChEMBL_1619266 (CHEMBL3861435)	Inhibition of recombinant human full length GST-tagged HDAC8 expressed in Escherichia coli DH5alpha (DE3) assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins by fluorimetric assay
50047919	2	ChEMBL_1619268 (CHEMBL3861437)	Inhibition of HDAC2 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins by fluorimetric assay
50047919	3	ChEMBL_1619267 (CHEMBL3861436)	Inhibition of HDAC1 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins by fluorimetric assay
50047919	4	ChEMBL_1619269 (CHEMBL3861438)	Inhibition of HDAC3 in human MDA-MB-231 cells assessed as inhibition of deacetylation activity using Fluor-de-Lys as substrate measured after 15 mins by fluorimetric assay
50047920	1	ChEMBL_1619331 (CHEMBL3861500)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured every 15 secs for 5 to 10 mins by Ellman's method
50047921	1	ChEMBL_1619334 (CHEMBL3861503)	Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay
50047922	1	ChEBML_1619372	Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay
50047922	2	ChEMBL_1619372 (CHEMBL3861541)	Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells after 48 hrs by Super-top flash reporter gene assay
50047923	3	ChEMBL_1619388 (CHEMBL3861557)	Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli BL21(DE3) using 7-Methyl-6-thioguanosine as substrate preincubated for 10 mins followed by L-cysteine addition measured for 50 mins in presence of purine nucleoside phosphorylase/inorganic pyrophosphatase by spectrophotometric method
50047923	1	ChEBML_1619390	Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli BL21(DE3) after 15 mins in presence of L-cysteine by ATP-[32P]-pyrophosphate exchange assay
50047923	2	ChEMBL_1619390 (CHEMBL3861559)	Inhibition of recombinant Yersinia pestis C-terminal His6-tagged HMWP2 cysteine adenylation domain (1 to 1491 residues) expressed in Escherichia coli BL21(DE3) after 15 mins in presence of L-cysteine by ATP-[32P]-pyrophosphate exchange assay
50047924	1	ChEBML_1619395	Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by spectrofluorimetric method
50047924	2	ChEMBL_1619395 (CHEMBL3861564)	Non-covalent/mixed type inhibition of recombinant human MetAP2 using Met-AMC as substrate preincubated for 30 mins followed by substrate addition by spectrofluorimetric method
50047925	1	ChEMBL_1619407 (CHEMBL3861576)	Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting method
50047925	2	ChEMBL_1619402 (CHEMBL3861571)	Displacement of [3H]CGP-12177 from beta1 adrenergic receptor in rat brain cerebral cortex after 60 mins by microbeta scintillation counting method
50047926	1	ChEMBL_1619455 (CHEMBL3861624)	Inhibition of recombinant human His6-tagged SIRT3 using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate incubated for 10 mins in presence of beta-NAD+ by HPLC based assay
50047926	2	ChEMBL_1619456 (CHEMBL3861625)	Inhibition of recombinant human GST-tagged SIRT5 using CH3CONH-AR-[Nepsilon-succinyl-lysine]-ST-CONH2 as substrate incubated for 5 mins in presence of beta-NAD+ by HPLC based assay
50047926	3	ChEMBL_1619457 (CHEMBL3861626)	Inhibition of recombinant human His6-tagged SIRT6 using H2N-EALPK-[Nepsilon-myristoyl-lysine]-TGGPQ-CONH2 as substrate incubated for 12 mins in presence of beta-NAD+ by HPLC based assay
50047926	4	ChEMBL_1619453 (CHEMBL3861622)	Inhibition of recombinant human GST or His6-tagged SIRT1 using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate incubated for 10 mins in presence of beta-NAD+ by HPLC based assay
50047926	5	ChEMBL_1619454 (CHEMBL3861623)	Inhibition of recombinant human His6-tagged SIRT2 using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate incubated for 12 mins in presence of beta-NAD+ by HPLC based assay
50047927	1	ChEMBL_1619471 (CHEMBL3861640)	Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs
50047927	2	ChEMBL_1619472 (CHEMBL3861641)	Inhibition of ovine COX1 by enzyme immunoassay
50047927	3	ChEMBL_1619473 (CHEMBL3861642)	Inhibition of recombinant human COX2 by enzyme immunoassay
50047928	1	ChEMBL_1619491 (CHEMBL3861660)	Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl substrate
50047928	2	ChEMBL_1619492 (CHEMBL3861661)	Inhibition of human recombinant MMP13 using thiopeptide as chromogenic substrate by colorimetric assay
50047928	3	ChEMBL_1619489 (CHEMBL3861658)	Binding affinity to of human partial length RET expressed in bacterial system by active site-directed competition binding assay
50047928	4	ChEMBL_1619495 (CHEMBL3861664)	Binding affinity to of humanised RAD51 C-terminal ATPase domain (with deletion of L2 loop residues 288 to 314) from Pyrococcus furiosus expressed in Escherichia coli by ITC method
50047928	5	ChEMBL_1619490 (CHEMBL3861659)	Binding affinity to of human partial length VGFR2 expressed in mammalian system by active site-directed competition binding assay
50047929	1	ChEBML_1619514	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by LC-MS/MS analysis
50047929	2	ChEBML_1619507	Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay
50047929	7	ChEMBL_1619504 (CHEMBL3861673)	Inhibition of activated human plasma TAFI incubated for 15 mins by chromogenic assay
50047929	4	ChEMBL_1619508 (CHEMBL3861677)	Inhibition of activated TAFI in human blood by clot lysis assay
50047929	5	ChEMBL_1619507 (CHEMBL3861676)	Inhibition of activated human plasma TAFI incubated for 15 mins in presence of 1% human serum albumin by chromogenic assay
50047929	8	ChEMBL_1619514 (CHEMBL3861683)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as suppression of 1'-hydroxymidazolam formation after 10 mins by LC-MS/MS analysis
50047929	9	ChEMBL_1619519 (CHEMBL3861688)	Inhibition of recombinant human ERG expressed in CHO cells by patch clamp method
50047930	1	ChEMBL_1619557 (CHEMBL3861726)	Antagonist activity at PAR-1 in HEK293 cells incubated for 30 mins followed by Ala-parafluoroPhe-Arg-Cha-Cit-Try-NH2 substrate addition by calcium-5 dye based FLIPR assay
50047930	2	ChEMBL_1619558 (CHEMBL3861727)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by rapidfire/MS analysis
50047931	1	ChEMBL_1619578 (CHEMBL3861747)	Inhibition of N-terminal GST tagged human TrkC catalytic domain (456 to 825 amino acids) using fluorescence-labeled substrate by off-chip mobility shift assay
50047931	2	ChEMBL_1619572 (CHEMBL3861741)	Inhibition of His-tagged recombinant human TrkA using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase binding assay
50047931	3	ChEMBL_1619560 (CHEMBL3861729)	Inhibition of NGF-induced TrkA auto-phosphorylation in rat PC12 cells incubated for 15 mins by chemiluminescence based method
50047931	4	ChEMBL_1619564 (CHEMBL3861733)	Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method
50047931	5	ChEMBL_1619576 (CHEMBL3861745)	Inhibition of N-terminal GST tagged human TrkA cytoplasmic domain (436 to 790 amino acids) pre-incubated for 15 mins before peptide substrate addition for 180 mins by fluorescence based assay
50047931	6	ChEMBL_1619580 (CHEMBL3861749)	Inhibition of BDNF-stimulated TrkB phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay
50047931	7	ChEMBL_1619581 (CHEMBL3861750)	Inhibition of NT3-stimulated TrkC phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay
50047931	9	ChEMBL_1619566 (CHEMBL3861735)	Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method
50047931	10	ChEMBL_1619559 (CHEMBL3861728)	Inhibition of binding of [125I]-NGF to TrkA in rat PC12 cells incubated for 2 hrs by gamma counting method
50047931	11	ChEMBL_1619577 (CHEMBL3861746)	Inhibition of N-terminal GST tagged human TrkB cytoplasmic domain (456 to 822 amino acids) pre-incubated for 15 mins before peptide substrate addition for 180 mins by fluorescence based assay
50047931	14	ChEMBL_1619579 (CHEMBL3861748)	Inhibition of NGF-stimulated TrkA phosphorylation in human U2OS cells by beta-galactosidase reporter gene based PathHunter profiling assay
50047932	1	ChEMBL_1619629 (CHEMBL3861798)	Inhibition of CYP3A4 (unknown origin) expressed in Escherichia coli co-expressing human NADPH reductase using both 7-benzyloxyquinolone and diethoxyfluorescein substrate in presence of NADPH regenerating system incubated for 10 mins by spectrofluorometry
50047932	2	ChEMBL_1619619 (CHEMBL3861788)	Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition
50047932	3	ChEMBL_1619621 (CHEMBL3861790)	Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate
50047932	4	ChEMBL_1619620 (CHEMBL3861789)	Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assay
50047933	1	ChEMBL_1619693 (CHEMBL3861862)	Inhibition of SIRT2 (unknown origin) by fluorescence-based assay
50047934	1	ChEMBL_1619702 (CHEMBL3861871)	Inhibition of human FGFR2 by time-resolved fluorescence or time-resolved fluorescence assay
50047934	2	ChEMBL_1619701 (CHEMBL3861870)	Inhibition of human FGFR1 by time-resolved fluorescence or time-resolved fluorescence assay
50047934	3	ChEMBL_1619713 (CHEMBL3861882)	Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch clamp method
50047934	4	ChEMBL_1619706 (CHEMBL3861875)	Inhibition of human SRC by time-resolved fluorescence or time-resolved fluorescence assay
50047934	5	ChEMBL_1619705 (CHEMBL3861874)	Inhibition of human KDR by time-resolved fluorescence or time-resolved fluorescence assay
50047934	6	ChEMBL_1619704 (CHEMBL3861873)	Inhibition of human FGFR4 by time-resolved fluorescence or time-resolved fluorescence assay
50047934	7	ChEMBL_1619703 (CHEMBL3861872)	Inhibition of human FGFR3 by time-resolved fluorescence or time-resolved fluorescence assay
50047935	1	ChEMBL_1619734 (CHEMBL3861903)	Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from His6-MBP-TEV-full length human TNNI3K expressed in Baculovirus expression system after 60 mins by fluorescence polarization assay
50047936	1	ChEMBL_1619736 (CHEMBL3861905)	Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay
50047936	2	ChEMBL_1619737 (CHEMBL3861906)	Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay
50047936	3	ChEMBL_1619738 (CHEMBL3861907)	Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay
50047936	4	ChEMBL_1619739 (CHEMBL3861908)	Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay
50047937	1	ChEMBL_1619744 (CHEMBL3861913)	Inhibition of purified human placental cytosolic 17beta-HSD1 using [3H]-E1 substrate and NADH by HPLC based radioactive displacement assay
50047937	2	ChEMBL_1619749 (CHEMBL3861918)	Inhibition of N-terminal 6His-tagged human human HSD17B14 expressed in Escherichia coli BL21 (DE3) pLysS using E2 substrate and NAD+ incubated for 2 hrs using purified enzyme by fluorimetric assay
50047937	3	ChEMBL_1619745 (CHEMBL3861914)	Inhibition of purified human placental microsomal 17beta-HSD2 using [3H]-E2 substrate and NAD+ by HPLC based radioactive displacement assay
50047938	1	ChEMBL_1619996 (CHEMBL3862279)	Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 5 by fluorescence assay
50047938	2	ChEMBL_1619995 (CHEMBL3862278)	Inhibition of human beta-glucocerebrosidase using 4-methylumbelliferyl beta-D glycopyranoside as substrate at pH 7 by fluorescence assay
50047938	3	ChEMBL_1620013 (CHEMBL3862296)	Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method
50047938	4	ChEMBL_1620014 (CHEMBL3862297)	Inhibition of Escherichia coli beta-galactosidase using o-nitrophenyl beta-D-galactopyranoside after 10 to 30 mins by spectrophotometric method
50047939	1	ChEMBL_1620015 (CHEMBL3862298)	Inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Ellman's method
50047939	2	ChEMBL_1620024 (CHEMBL3862307)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	3	ChEMBL_1620053 (CHEMBL3862336)	Mixed-type inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Lineweaver-Burk plot analysis
50047939	4	ChEMBL_1620017 (CHEMBL3862300)	Inhibition of human recombinant MAOB using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	5	ChEMBL_1620016 (CHEMBL3862299)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	6	ChEMBL_1620019 (CHEMBL3862302)	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Ellman's method
50047939	7	ChEMBL_1620027 (CHEMBL3862310)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 180 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	8	ChEMBL_1620026 (CHEMBL3862309)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 120 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	9	ChEMBL_1620023 (CHEMBL3862306)	Inhibition of human recombinant MAOA using p-tyramine as substrate measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	10	ChEMBL_1620028 (CHEMBL3862311)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 240 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047939	11	ChEMBL_1620054 (CHEMBL3862337)	Mixed-type inhibition of human recombinant BuChE expressed in HEK293 cells using S-butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Lineweaver-Burk plot analysis
50047939	12	ChEMBL_1620025 (CHEMBL3862308)	Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 60 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method
50047940	1	ChEMBL_1620070 (CHEMBL3862353)	Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for second binding site of TTR by isothermal titration calorimetric method
50047940	2	ChEMBL_1620067 (CHEMBL3862350)	Stabilization of recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid beta formation by measuring turbidity preincubated for 30 mins followed by lowering pH from 7.2 to 4.4 measured after 72 hrs by microplate spectrophotometric method
50047940	3	ChEMBL_1620069 (CHEMBL3862352)	Binding affinity to recombinant human wild type TTR expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants for first binding site of TTR by isothermal titration calorimetric method
50047940	4	ChEMBL_1620071 (CHEMBL3862354)	Binding affinity to human plasma wild type TTR assessed as dissociation constants for second binding site of TTR by isothermal titration calorimetric method
50047940	5	ChEMBL_1620072 (CHEMBL3862355)	Binding affinity to human plasma wild type TTR assessed as dissociation constants for first binding site of TTR by isothermal titration calorimetric method
50047941	1	ChEBML_1620100	Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	2	ChEBML_1620101	Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	3	ChEBML_1620103	Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	4	ChEBML_1620102	Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	5	ChEMBL_1620103 (CHEMBL3862386)	Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	6	ChEMBL_1620101 (CHEMBL3862384)	Inhibition of human cathepsin K expressed in Pichia pastoris using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	7	ChEMBL_1620102 (CHEMBL3862385)	Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047941	8	ChEMBL_1620100 (CHEMBL3862383)	Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectromicrofluorimetric method
50047942	1	ChEMBL_1620106 (CHEMBL3862389)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method
50047942	2	ChEMBL_1620107 (CHEMBL3862390)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 2 mins by Ellman's method
50047942	3	ChEMBL_1620108 (CHEMBL3862391)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis
50047943	1	ChEMBL_1620302 (CHEMBL3862585)	Agonist activity at human recombinant ETB receptor expressed in CHOK1 cells assessed as induction of Ca2+ mobilization by fluorimetric method
50047943	2	ChEMBL_1620301 (CHEMBL3862584)	Agonist activity at ETA receptor in human SKNMC cells assessed as induction of Ca2+ mobilization by fluorimetric method
50047943	3	ChEMBL_1620303 (CHEMBL3862586)	Antagonist activity at ETA receptor in human SKNMC cells assessed as inhibition of endothelin-1-mediated Ca2+ mobilization by fura-2/AM dye-based spectrofluorimetric method
50047943	4	ChEMBL_1620305 (CHEMBL3862588)	Binding affinity to human ETA receptor
50047943	5	ChEMBL_1620306 (CHEMBL3862589)	Binding affinity to human ETB receptor
50047943	6	ChEMBL_1620304 (CHEMBL3862587)	Antagonist activity at ETB receptor in human BSMC assessed as inhibition of endothelin-1 or 3-mediated Ca2+ mobilization preincubated for 5 mins followed by endothelin-1 or 3 addition by fura-2/AM dye-based spectrofluorimetric method
50047944	1	ChEMBL_1620337 (CHEMBL3862620)	Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma addition measured after 6 hrs by luciferase reporter gene assay
50047944	2	ChEMBL_1620334 (CHEMBL3862617)	Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentration by Fluo-4AM dye-based spectrofluorometry
50047944	3	ChEMBL_1620338 (CHEMBL3862621)	Agonist activity at mouse YFP-tagged TRPV3 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-2-AM dye based microscopic analysis
50047944	4	ChEMBL_1620335 (CHEMBL3862618)	Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincubated for 5 mins prior to thymol-stimulation by Fluo-4AM dye-based spectrofluorometry
50047944	5	ChEMBL_1620339 (CHEMBL3862622)	Inhibition of NFkappaB p65 activation (unknown origin) expressed in human HeLa cells assessed as inhibition of TNFalpha-induced NFkappaB p65 nuclear accumulation pretreated with cells followed by TNFalpha addition by DAPI staining based microscopic analysis
50047945	1	ChEMBL_1620440 (CHEMBL3862723)	Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 substrate incubated for 30 mins by HTRF assay
50047945	2	ChEMBL_1620449 (CHEMBL3862732)	Binding affinity to human PIK3CG expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	3	ChEMBL_1620460 (CHEMBL3862743)	Inhibition of Aurora A kinase in human HeLa Kyoto cells assessed as induction of defective chromosome alignment during metaphase incubated for 20 hrs
50047945	4	ChEMBL_1620442 (CHEMBL3862725)	Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay
50047945	5	ChEMBL_1620461 (CHEMBL3862744)	Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs
50047945	6	ChEMBL_1620453 (CHEMBL3862736)	Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 substrate incubated for 30 mins in presence of 0.002 uM TPX2 by HTRF assay
50047945	7	ChEMBL_1620459 (CHEMBL3862742)	Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs
50047945	8	ChEMBL_1620446 (CHEMBL3862729)	Binding affinity to human Aurora C kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	9	ChEMBL_1620447 (CHEMBL3862730)	Binding affinity to human DAPK2 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	10	ChEMBL_1620451 (CHEMBL3862734)	Binding affinity to auto-inhibited human CSF1R expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	11	ChEMBL_1620445 (CHEMBL3862728)	Binding affinity to human Aurora B kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	12	ChEMBL_1620444 (CHEMBL3862727)	Binding affinity to human Aurora A kinase expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	13	ChEMBL_1620448 (CHEMBL3862731)	Binding affinity to human YSK4 expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047945	14	ChEMBL_1620454 (CHEMBL3862737)	Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 substrate incubated for 30 mins in presence of 2 uM TPX2 by HTRF assay
50047945	15	ChEMBL_1620450 (CHEMBL3862733)	Binding affinity to human PIP5K2C expressed in Escherichia coli BL21 cells incubated for 1 hr by active site directed binding competition assay
50047946	1	ChEMBL_1620471 (CHEMBL3862754)	Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate
50047946	2	ChEMBL_1620470 (CHEMBL3862753)	Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay
50047946	3	ChEMBL_1620475 (CHEMBL3862758)	Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay
50047947	1	ChEMBL_1620506 (CHEMBL3862789)	Inhibition of recombinant human His-tagged DNA polymerase lambda assessed as reduction in [3H]dTTP incorporation using poly(dA)/oligo(dT)18 as template/primer preincubated for 10 mins followed by template/primer addition measured after 60 mins
50047948	1	ChEMBL_1620509 (CHEMBL3862792)	Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of biotinylated oligonucleotide by sybrGOLD staining based fluorescence assay
50047948	2	ChEMBL_1620508 (CHEMBL3862791)	Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of biotinylated oligonucleotide by sybrGOLD staining based fluorescence assay
50047948	3	ChEMBL_1620512 (CHEMBL3862795)	Binding affinity to Escherichia coli DNA gyrase B ATP binding site by surface plasmon resonance assay
50047949	1	ChEMBL_1620545 (CHEMBL3862828)	Inhibition of human ERG by patch clamp assay
50047949	2	ChEMBL_1620544 (CHEMBL3862827)	Inhibition of CYP3A4 (unknown origin)
50047949	3	ChEMBL_1620588 (CHEMBL3862871)	Inhibition of human leukocyte elastase
50047950	1	ChEMBL_1620626 (CHEMBL3862909)	Displacement of biotinylated-TN14003 from CXCR4 in human MDA-MB-231 cells assessed as reduction in fluorescence preincubated for 10 mins followed by biotinylated-TN14003 addition measured after 30 mins by streptavidin-rhodamine staining based microscopic analysis
50047951	1	ChEBML_1620629	Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate after 90 mins by ATP consumption assay
50047951	2	ChEBML_1620632	Agonist activity at GAL4-tagged human PPARalpha ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047951	3	ChEBML_1620636	Agonist activity at GAL4-tagged human PPARdelta ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047951	4	ChEBML_1620635	Agonist activity at GAL4-tagged human PPARgamma ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047951	5	ChEMBL_1620636 (CHEMBL3862919)	Agonist activity at GAL4-tagged human PPARdelta ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047951	6	ChEMBL_1620629 (CHEMBL3862912)	Inhibition of full length recombinant C-terminal His-tagged human ACC2 expressed in baculovirus infected sf9 cells using acetyl-CoA as substrate after 90 mins by ATP consumption assay
50047951	7	ChEMBL_1620632 (CHEMBL3862915)	Agonist activity at GAL4-tagged human PPARalpha ligand binding domain chimeric receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50047952	1	ChEMBL_1620674 (CHEMBL3862957)	Inhibition of telomerase activity in human MCF7 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition measured after 30 mins by PCR-ELISA
50047952	2	ChEMBL_1620676 (CHEMBL3862959)	Inhibition of telomerase activity in human H125 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition measured after 30 mins by PCR-ELISA
50047952	3	ChEMBL_1620677 (CHEMBL3862960)	Inhibition of telomerase activity in human HT-29 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition measured after 30 mins by PCR-ELISA
50047952	4	ChEMBL_1620675 (CHEMBL3862958)	Inhibition of telomerase activity in human M14 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition measured after 30 mins by PCR-ELISA
50047953	1	ChEMBL_1620687 (CHEMBL3862970)	Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50047953	2	ChEMBL_1620689 (CHEMBL3862972)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50047953	3	ChEMBL_1620692 (CHEMBL3862975)	Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50047954	1	ChEBML_1620730	Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method
50047954	2	ChEBML_1620730	Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method
50047955	1	ChEBML_1620755	Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fluorescence assay
50047956	1	ChEBML_1620793	Displacement of Fluormone ES2 Green from human recombinant full length ERalpha expressed in insect cells measured up to 4 hrs by fluorescence polarization assay
50047957	1	ChEMBL_1620802 (CHEMBL3863085)	Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced calcium mobilization preincubated for 15 mins followed by agonist addition measured for 20 secs in presence of coelenterazine H by luminescence assay
50047957	3	ChEMBL_1620803 (CHEMBL3863086)	Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as calcium mobilization measured for 20 secs in presence of coelenterazine H by luminescence assay
50047958	1	ChEMBL_1620815 (CHEMBL3863098)	Inhibition of human coagulation factor 10a assessed as reduction in p-nitroaniline cleavage from pefachrome substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50047959	1	ChEMBL_1620821 (CHEMBL3863104)	Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase expression after 24 hrs by alkaline phopshatase assay
50047959	2	ChEMBL_1620822 (CHEMBL3863105)	Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PR-LBD (675 to 933 residues) expressed in baculovirus-infected insect cells measured after 24 hrs by liquid scintillation counting method
50047959	3	ChEMBL_1620824 (CHEMBL3863107)	Binding affinity to human AR
50047959	4	ChEMBL_1620823 (CHEMBL3863106)	Displacement of [3H]dexamethasone from human GR measured after 18 hrs by scintillation counting method
50047960	1	ChEMBL_1620882 (CHEMBL3863165)	Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincubated with cells followed by forskolin stimulation measured after 30 mins in presence of D2-labeled cAMP and Eu3+-TBP-NHS cryptate by HTRF assay
50047960	2	ChEMBL_1620883 (CHEMBL3863166)	Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincubated with cells followed by forskolin stimulation measured after 30 mins in presence of D2-labeled cAMP and Eu3+-TBP-NHS cryptate by HTRF assay
50047961	1	ChEMBL_1620897 (CHEMBL3863180)	Inverse agonist activity at human CB2 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30 mins followed by d2 labeled cAMP addition measured after 60 mins by HTRF assay
50047961	2	ChEMBL_1620896 (CHEMBL3863179)	Inverse agonist activity at human CB1 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30 mins followed by d2 labeled cAMP addition measured after 60 mins by HTRF assay
50047962	1	ChEMBL_1620907 (CHEMBL3863190)	Inhibition of NADH-Fumarate reductase in Ascaris suum muscle sub-mitochondrial particles using disodium fumarate as substrate in presence of NADH after 3 mins measured every 15 sec for 10 mins under anaerobic condition
50047963	1	ChEMBL_1620911 (CHEMBL3863194)	Binding affinity to human CBP/P300 expressed in Escherichia coli BL21(DE3)-R3 by isothermal titration calorimetry
50047963	2	ChEMBL_1620912 (CHEMBL3863195)	Binding affinity to human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by isothermal titration calorimetry
50047963	3	ChEMBL_1620915 (CHEMBL3863198)	Binding affinity to human N-terminal His10-tagged/C-terminal Biotin-tagged CBP (R1081 to G1198 residues)/P300 expressed in Escherichia coli BL21(DE3)-R3-BirA by isothermal titration calorimetry
50047964	1	ChEMBL_1620917 (CHEMBL3863200)	Displacement of [3H]DSLET from DOR in rat brain membrane measured after 2 hrs
50047964	2	ChEMBL_1620918 (CHEMBL3863201)	Displacement of [3H]U69,593 from KOR in guinea pig brain membrane measured after 2 hrs
50047964	3	ChEMBL_1620916 (CHEMBL3863199)	Displacement of [3H]DAMGO from MOR in rat brain membrane measured after 2 hrs
50047964	4	ChEMBL_1620923 (CHEMBL3863206)	Activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50047964	5	ChEMBL_1620929 (CHEMBL3863212)	Antagonist activity at MOR in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50047964	6	ChEMBL_1620944 (CHEMBL3863227)	Agonist activity at MOR in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractions
50047965	1	ChEMBL_1620948 (CHEMBL3863231)	Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis
50047965	2	ChEMBL_1620947 (CHEMBL3863230)	Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay
50047966	1	ChEMBL_1620950 (CHEMBL3863233)	Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay
50047966	2	ChEMBL_1620949 (CHEMBL3863232)	Binding affinity to CypA (unknown origin) by fluorescence titration method
50047967	1	ChEMBL_1621014 (CHEMBL3863297)	Binding affinity to histamine H3 receptor (unknown origin)
50047967	2	ChEMBL_1621011 (CHEMBL3863294)	Binding affinity to histamine H4 receptor (unknown origin)
50047967	3	ChEMBL_1621010 (CHEMBL3863293)	Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 cell membranes after 1 hr
50047967	4	ChEMBL_1621015 (CHEMBL3863298)	Antagonist activity at human histamine H3 receptor
50047968	1	ChEMBL_1621017 (CHEMBL3863300)	Antagonist activity at human CCR10 expressed in mouse BA/F3 cells assessed as inhibition of human CCL27-dependent chemotaxis
50047968	2	ChEMBL_1621016 (CHEMBL3863299)	Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL27-dependent calcium flux in presence of coelenterazine H by chemiluminescence assay
50047968	3	ChEMBL_1621018 (CHEMBL3863301)	Antagonist activity at mouse CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in presence of coelenterazine H by chemiluminescence assay
50047968	4	ChEMBL_1621023 (CHEMBL3863306)	Antagonist activity at human CCR10 expressed in HEK cells assessed as inhibition of human CCL27-dependent cAMP production
50047968	5	ChEMBL_1621033 (CHEMBL3863316)	Antagonist activity at human histamine H4 receptor assessed as inhibition of histamine-induced calcium flux
50047968	6	ChEMBL_1621020 (CHEMBL3863303)	Displacement of human CCL27-Fc from CCR10 expressed in HEK cell membranes by immunochemical binding analysis
50047968	7	ChEMBL_1621029 (CHEMBL3863312)	Antagonist activity at human CCR5 assessed as inhibition of RANTES-induced calcium flux
50047968	8	ChEMBL_1621019 (CHEMBL3863302)	Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of CCL27-dependent calcium flux in presence of coelenterazine H by FLIPR assay
50047968	9	ChEMBL_1621022 (CHEMBL3863305)	Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flux by chemiluminescence assay
50047968	10	ChEMBL_1621032 (CHEMBL3863315)	Antagonist activity at human CCR6 assessed as inhibition of CCL20/MIP-3alpha-induced calcium flux
50047968	11	ChEMBL_1621021 (CHEMBL3863304)	Antagonist activity at human CCR10 expressed in CHOK1 cells coexpressing aequorin/Galphaq assessed as inhibition of human CCL28-dependent calcium flux by FLIPR assay
50047968	12	ChEMBL_1621026 (CHEMBL3863309)	Antagonist activity at human CCR10 expressed in HEK cell membranes assessed as inhibition of human CCL27-dependent europium-labeled GTP binding
50047968	13	ChEMBL_1621028 (CHEMBL3863311)	Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced calcium flux
50047968	14	ChEMBL_1621030 (CHEMBL3863313)	Antagonist activity at human CXCR3 assessed as inhibition of IP10-induced calcium flux
50047968	15	ChEMBL_1621031 (CHEMBL3863314)	Antagonist activity at human CXCR2 assessed as inhibition of GROalpha-induced calcium flux
50047968	16	ChEMBL_1621070 (CHEMBL3863353)	Reversible inhibition of human CCL27-Fc binding to CCR10 expressed in HEK cell membranes by immunochemical binding assay
50047968	17	ChEMBL_1621027 (CHEMBL3863310)	Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced calcium flux
50047969	1	ChEMBL_1621074 (CHEMBL3863357)	Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method
50047969	2	ChEMBL_1621075 (CHEMBL3863358)	Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method
50047969	3	ChEMBL_1621099 (CHEMBL3863382)	Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fluorescence spectrophotometry
50047969	4	ChEMBL_1621135 (CHEMBL3863418)	Inhibition of rat brain mitochondrial MAOB using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry
50047969	5	ChEMBL_1621132 (CHEMBL3863415)	Inhibition of recombinant human MAO-A expressed in insect cell microsomes using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fluorescence spectrophotometry
50047969	6	ChEMBL_1621116 (CHEMBL3863399)	Inhibition of recombinant human MAO-A using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fluorescence spectrophotometry
50047969	7	ChEMBL_1621134 (CHEMBL3863417)	Inhibition of rat brain mitochondrial MAOA using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production by spectrophotometry
50047969	8	ChEMBL_1621133 (CHEMBL3863416)	Inhibition of recombinant human MAO-B expressed in insect cell microsomes using kynuramine as substrate assessed as decrease in 4-hydroxyquinoline production incubated for 20 mins by fluorescence spectrophotometry
50047970	1	ChEMBL_1621339 (CHEMBL3863622)	Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation
50047970	2	ChEMBL_1621343 (CHEMBL3863626)	Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay
50047970	3	ChEMBL_1621342 (CHEMBL3863625)	Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation
50047970	4	ChEMBL_1621341 (CHEMBL3863624)	Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation
50047970	5	ChEMBL_1621340 (CHEMBL3863623)	Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation
50047970	6	ChEMBL_1621367 (CHEMBL3863650)	Displacement of [18F]-FDHT from androgen receptor in human LNCAP/AR cells
50047971	1	ChEMBL_1621376 (CHEMBL3863659)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method
50047971	2	ChEMBL_1621377 (CHEMBL3863660)	Displacement of [3H]-ketanserin from human 5-HT2A receptor by liquid scintillation counting method
50047971	3	ChEMBL_1621378 (CHEMBL3863661)	Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method
50047971	4	ChEMBL_1621379 (CHEMBL3863662)	Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method
50047971	5	ChEMBL_1621380 (CHEMBL3863663)	Displacement of [3H]-mesulergine from human 5-HT2C receptor by liquid scintillation counting method
50047971	6	ChEMBL_1621373 (CHEMBL3863656)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting method
50047971	7	ChEMBL_1621375 (CHEMBL3863658)	Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method
50047971	8	ChEMBL_1621382 (CHEMBL3863665)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells
50047971	9	ChEMBL_1621374 (CHEMBL3863657)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting method
50047971	10	ChEMBL_1621381 (CHEMBL3863664)	Displacement of [3H]-pyrilamine from human histamine H1 receptor by liquid scintillation counting method
50047971	11	ChEMBL_1621385 (CHEMBL3863668)	Displacement of [3H]-5-HT from human 5-HT2B receptor expressed in HEK293 cells
50047971	12	ChEMBL_1621383 (CHEMBL3863666)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells
50047971	13	ChEMBL_1621386 (CHEMBL3863669)	Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in HEK293 cells
50047971	14	ChEMBL_1621384 (CHEMBL3863667)	Displacement of [3H]-5-CT from human 5-HT7a receptor expressed in HEK293 cells
50047972	1	ChEMBL_1621489 (CHEMBL3863772)	Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method
50047972	2	ChEMBL_1621488 (CHEMBL3863771)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method
50047973	1	ChEMBL_1621501 (CHEMBL3863784)	Inhibition of human integrin alphaVbeta8-mediated human SNB19 cell adhesion to recombinant human TGFbeta1 LAP preincubated for 15 to 30 mins followed by 60 min incubation for adhesion by crystal violet staining based cell adhesion assay
50047973	2	ChEMBL_1621500 (CHEMBL3863783)	Inhibition of human wild type integrin alphaVbeta5-mediated human SW480 cell adhesion to vitronectin preincubated for 15 to 30 mins followed by 60 min incubation for adhesion by crystal violet staining based cell adhesion assay
50047973	3	ChEMBL_1621499 (CHEMBL3863782)	Inhibition of human integrin alphaVbeta3-mediated human SW480 cell adhesion to fibrinogen preincubated for 15 to 30 mins followed by 60 min incubation for adhesion by crystal violet staining based cell adhesion assay
50047973	4	ChEMBL_1621498 (CHEMBL3863781)	Inhibition of integrin alphaVbeta1 (unknown origin)-mediated CHO cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incubation for adhesion by crystal violet staining based cell adhesion assay
50047973	5	ChEMBL_1621502 (CHEMBL3863785)	Inhibition of human integrin alpha5beta1-mediated human SW480 cell adhesion to fibronectin preincubated for 15 to 30 mins followed by 60 min incubation for adhesion by crystal violet staining based cell adhesion assay
50047974	1	ChEMBL_1621506 (CHEMBL3863789)	Inhibition of wild type human C-terminal His8-tagged IDH1 expressed in Escherichia coli Rosetta cells assessed as reduction in isocitrate to alpha-KG conversion preincubated for 15 mins followed by substrate addition in presence of NADP+ by resazurin based diaphorase-coupled fluorescence assay
50047975	1	ChEMBL_1621530 (CHEMBL3863813)	Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response preincubated for 20 mins followed by agonist addition for 20 mins by FITC-based flow cytometric analysis
50047975	2	ChEMBL_1621531 (CHEMBL3863814)	Antagonist activity at PAR4 in human platelets assessed as inhibition of gamma-thrombin-induced PAC1 binding response preincubated for 20 mins followed by agonist addition for 20 mins by FITC-based flow cytometric analysis
50047975	3	ChEMBL_1621541 (CHEMBL3863824)	Antagonist activity at PAR1 in human platelets assessed as inhibition of activating peptide-induced PAC1 binding response
50047975	4	ChEMBL_1621532 (CHEMBL3863815)	Antagonist activity at PAR4 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation
50047975	5	ChEMBL_1621533 (CHEMBL3863816)	Antagonist activity at PAR4 in human platelets assessed as inhibition of gamma-thrombin-induced P-selectin activation
50047975	6	ChEMBL_1621549 (CHEMBL3863832)	Antagonist activity at PAR4 (unknown origin) assessed as inhibition of activating peptide-induced receptor activation
50047975	7	ChEMBL_1621550 (CHEMBL3863833)	Antagonist activity at PAR4 (unknown origin) assessed as inhibition of gamma-thrombin-induced receptor activation
50047975	8	ChEMBL_1621542 (CHEMBL3863825)	Antagonist activity at PAR1 in human platelets assessed as inhibition of activating peptide-induced P-selectin activation
50047976	1	ChEMBL_1621561 (CHEMBL3863844)	Inhibition of BRAF (unknown origin) using FAM-labeled peptide as substrate after 1 hr by Lanthascreen assay
50047976	2	ChEMBL_1621560 (CHEMBL3863843)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50047977	1	ChEMBL_1621629 (CHEMBL3863912)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method
50047977	2	ChEMBL_1621579 (CHEMBL3863862)	Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method
50047977	3	ChEMBL_1621581 (CHEMBL3863864)	Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50047977	4	ChEMBL_1621587 (CHEMBL3863870)	Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 mins by gamma counting method
50047977	5	ChEMBL_1621577 (CHEMBL3863860)	Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting method
50047977	6	ChEMBL_1621594 (CHEMBL3863877)	Antagonist activity at human 5-HT2BR expressed in Flp-In HEK cells assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 5 to 10 mins followed 5-HT addition by Fluo-4 dye based FLIPR assay
50047977	7	ChEMBL_1621611 (CHEMBL3863894)	Inhibition of CYP2C19 (unknown origin)
50047977	8	ChEMBL_1621595 (CHEMBL3863878)	Antagonist activity at human 5-HT2CR expressed in Flp-In HEK cells assessed as inhibition of serotonin induced calcium mobilization preincubated for 5 to 10 mins followed 5-Ht addition by Fluo-4 dye based FLIPR assay
50047977	9	ChEMBL_1621628 (CHEMBL3863911)	Inhibition of TSPO (unknown origin)
50047977	10	ChEMBL_1621584 (CHEMBL3863867)	Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from recombinant human adenosine receptor A2A expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50047977	11	ChEMBL_1621609 (CHEMBL3863892)	Inhibition of CYP1A2 (unknown origin)
50047977	12	ChEMBL_1621583 (CHEMBL3863866)	Displacement of [3H]N6-phenylisopropyladenosine from rat A1AR after 60 mins by liquid scintillation counting method
50047977	13	ChEMBL_1621610 (CHEMBL3863893)	Inhibition of CYP2C9 (unknown origin)
50047977	14	ChEMBL_1621612 (CHEMBL3863895)	Inhibition of CYP2D6 (unknown origin)
50047977	15	ChEMBL_1621586 (CHEMBL3863869)	Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from rat adenosine receptor A2A after 60 mins by liquid scintillation counting method
50047977	16	ChEMBL_1621630 (CHEMBL3863913)	Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method
50047977	17	ChEMBL_1621627 (CHEMBL3863910)	Inhibition of human dopamine transporter expressed in HEK293 cells assessed as inhibition of dopamine uptake measured after 30 mins by fluorescence analysis
50047977	18	ChEMBL_1621625 (CHEMBL3863908)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 90 mins by microbeta scintillation counting method
50047977	19	ChEMBL_1621613 (CHEMBL3863896)	Inhibition of CYP3A4 (unknown origin)
50047978	1	ChEMBL_1621640 (CHEMBL3863923)	Binding affinity to birch major pollen allergen Bet v 1-A assessed as binding constant at 1H-6 resonance by (1)H relaxation dispersion NMR spectroscopy
50047978	2	ChEMBL_1621638 (CHEMBL3863921)	Binding affinity to BSA assessed as binding constant at 1H-2 resonance by (1)H relaxation dispersion NMR spectroscopy
50047979	1	ChEMBL_1621651 (CHEMBL3863934)	Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-based thermal shift assay
50047979	2	ChEMBL_1621657 (CHEMBL3863940)	Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay
50047979	3	ChEMBL_1621659 (CHEMBL3863942)	Binding affinity to recombinant Shigella dysenteriae type 1 Shiga toxin A subunit by SPR method
50047980	1	ChEMBL_1621695 (CHEMBL3863978)	Antagonist activity at adenosine A2b receptor (unknown origin)
50047980	2	ChEMBL_1621694 (CHEMBL3863977)	Antagonist activity at adenosine A2a receptor (unknown origin)
50047980	3	ChEMBL_1621693 (CHEMBL3863976)	Antagonist activity at adenosine A1 receptor (unknown origin)
50047980	4	ChEMBL_1621667 (CHEMBL3863950)	Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay
50047981	1	ChEMBL_1621702 (CHEMBL3863985)	Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay
50047981	2	ChEMBL_1621707 (CHEMBL3863990)	Displacement of [3H]N-methylspiperone from human D2R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay
50047981	3	ChEMBL_1621708 (CHEMBL3863991)	Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay
50047981	4	ChEMBL_1621709 (CHEMBL3863992)	Displacement of [3H]N-methylspiperone from human D4R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay
50047981	5	ChEMBL_1621714 (CHEMBL3863997)	Antagonist activity at DRD2 (unknown origin) expressed in HEK293T cells transfected with Galphai1-RLuc8 and gamma2-GFP10 assessed as inhibition of quinpirole-induced Gi1 activation pre-incubated with quinpirole for 10 mins before compound incubation for 10 mins by BRET assay
50047981	6	ChEMBL_1621717 (CHEMBL3864000)	Inhibition of DAT (unknown origin) expressed in COS7 cells assessed as reduction in [3H]DA uptake incubated for 5 mins by beta-scintillation counting method
50047981	7	ChEMBL_1621716 (CHEMBL3863999)	Displacement of [3H]WIN35,428 from wild type human DAT expressed in COS7 cell membranes incubated for >90 mins by radioligand binding assay
50047981	8	ChEMBL_1621704 (CHEMBL3863987)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membranes incubated for 60 mins by radioligand binding assay
50047981	9	ChEMBL_1621710 (CHEMBL3863993)	Displacement of [3H](+)-pentazocine from sigma1 receptor in whole-guinea pig brain minus cerebellum homogenates incubated for 120 mins by radioligand binding assay
50047981	10	ChEMBL_1621701 (CHEMBL3863984)	Binding affinity to DAT (unknown origin)
50047982	1	ChEMBL_1621727 (CHEMBL3864010)	Inhibition of human carbonic anhydrase isozyme 2 pre-incubated for 10 mins before 4-nitrophenylacetate substrate addition
50047983	1	ChEMBL_1621743 (CHEMBL3864026)	Displacement of fluormone-DHT green from His/GST-tagged rat AR ligand binding domain after 4 to 8 hrs by fluorescence polarization assay
50047983	2	ChEMBL_1621736 (CHEMBL3864019)	Antagonist activity at wild type AR in human PC3 cells assessed as suppression of DHT-induced receptor transcriptional activation after 24 hrs by PSA-luciferase reporter gene assay
50047984	1	ChEMBL_1621751 (CHEMBL3864034)	Inhibition of NLRP3 inflammasome in LPS-stimulated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome-induced IL-1beta production preincubated for 30 mins followed by NLRP3 stimulation with ATP for 1 hr by ELISA
50047984	2	ChEMBL_1621767 (CHEMBL3864050)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse BMDM assessed as reduction in NLRP3 inflammasome-induced IL-1beta production preincubated for 30 mins followed by NLRP3 stimulation with ATP by ELISA
50047985	1	ChEMBL_1621770 (CHEMBL3864053)	Inhibition of JAK3 (unknown origin)
50047985	2	ChEMBL_1621769 (CHEMBL3864052)	Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo kinase assay
50047986	1	ChEMBL_1621783 (CHEMBL3864066)	Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay
50047986	2	ChEMBL_1621779 (CHEMBL3864062)	Inhibition of PI4K2A (unknown origin) by ADP-Glo kinase assay
50047986	3	ChEMBL_1621785 (CHEMBL3864068)	Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay
50047986	4	ChEMBL_1621782 (CHEMBL3864065)	Inhibition of full length PI4KB (unknown origin) expressed in Sf21 cells using soluble lipid PI-diC8 by fluorescence polarization assay
50047986	5	ChEMBL_1621796 (CHEMBL3864079)	Inhibition of PI3Kgamma (unknown origin) by ADP-Glo kinase assay
50047986	6	ChEMBL_1621781 (CHEMBL3864064)	Inhibition of N-terminal GST-tagged PI4KA (875 to 2044 residues) (unknown origin) expressed in Sf21 cells using soluble lipid PI-diC8 by fluorescence polarization assay
50047986	7	ChEMBL_1621795 (CHEMBL3864078)	Inhibition of PI3Kdelta (unknown origin) by ADP-Glo kinase assay
50047986	8	ChEMBL_1621794 (CHEMBL3864077)	Inhibition of PI3Kbeta (unknown origin) by ADP-Glo kinase assay
50047986	9	ChEMBL_1621793 (CHEMBL3864076)	Inhibition of PI3Kalpha (unknown origin) by ADP-Glo kinase assay
50047987	1	ChEMBL_1621800 (CHEMBL3864083)	Binding affinity to 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star by fluorescence anisotropy based method
50047987	2	ChEMBL_1621797 (CHEMBL3864080)	Inhibition of 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star
50047988	1	ChEMBL_1621814 (CHEMBL3864097)	Inhibition of OGT (unknown origin) assessed as reduction in GlcNAc transfer to CKII peptide incubated for 60 mins by HPLC method
50047988	2	ChEMBL_1621820 (CHEMBL3864103)	Inhibition of ppGalNAcT2 (unknown origin) in presence of OGT, EA2 and UDP-GlcNAc incubated for 25 mins at 37 degC
50047988	3	ChEMBL_1621818 (CHEMBL3864101)	Noncompetitive inhibition of OGT (unknown origin) using variable UDP-GlcNAc levels and fixed CKII peptide level by UDP-Glo glycosyltransferase assay
50047988	4	ChEMBL_1621819 (CHEMBL3864102)	Noncompetitive inhibition of OGT (unknown origin) using fixed UDP-GlcNAc levels and variable CKII peptide level by UDP-Glo glycosyltransferase assay
50047989	1	ChEMBL_1621918 (CHEMBL3864270)	Inhibition of wild-type Pseudomonas aeruginosa PAO1 LpxC assessed as deacetylation preincubated for 30 mins followed by addition of UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate measured after 60 mins by mass spectrometry
50047990	1	ChEMBL_1621946 (CHEMBL3864298)	Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition by UV-spectrophotometric analysis
50047990	2	ChEMBL_1621947 (CHEMBL3864299)	Inhibition of horse serum BChE using BTC as substrate preincubated for 15 mins followed by substrate addition by UV-spectrophotometric analysis
50047991	1	ChEMBL_1621959 (CHEMBL3864311)	Inhibition of SENP1 catalytic domain (419 to 644 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in deSUMOylation preincubated for 10 mins followed by addition of RanGAP-SUMO as substrate measured after 25 mins by coomassie staining-based SDS-PAGE analysis
50047992	1	ChEMBL_1622004 (CHEMBL3864356)	Inhibition of Mip PPIase activity in Legionella pneumophila
50047993	1	ChEMBL_1622018 (CHEMBL3864370)	Agonist activity at human FFA4 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay
50047993	2	ChEMBL_1622016 (CHEMBL3864368)	Agonist activity at human FFA3 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay
50047993	3	ChEMBL_1622014 (CHEMBL3864366)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay
50047993	4	ChEMBL_1622017 (CHEMBL3864369)	Agonist activity at human FFA2 receptor expressed in CHO cells assessed as induction of Ca2+ flux by fluo-8 dye based FLIPR assay
50047993	5	ChEMBL_1622031 (CHEMBL3864383)	Agonist activity at FFA1 receptor (unknown origin)
50047994	1	ChEBML_1622040	Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) expressed in HEK293 cells measured after overnight incubation by luciferase reporter gene based BRET assay
50047994	2	ChEBML_1622038	Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	3	ChEMBL_1622032 (CHEMBL3864384)	Displacement of biotinylated ligand from CBP (unknown origin) by TR-FRET assay
50047994	23	ChEMBL_1622037 (CHEMBL3864389)	Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	4	ChEBML_1622032	Displacement of biotinylated ligand from CBP (unknown origin) by TR-FRET assay
50047994	5	ChEBML_1622057	Displacement of biotinylated ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	6	ChEBML_1622060	Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	7	ChEBML_1622064	Displacement of biotinylated ligand from recombinant His-tagged TAF1 bromodomain 2 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	24	ChEMBL_1622040 (CHEMBL3864392)	Inhibition of Halo-tagged histone H3.3 binding to CBP/EP300 (unknown origin) expressed in HEK293 cells measured after overnight incubation by luciferase reporter gene based BRET assay
50047994	14	ChEMBL_1622059 (CHEMBL3864411)	Displacement of biotinylated ligand from recombinant His-tagged BRPF1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	25	ChEMBL_1622057 (CHEMBL3864409)	Displacement of biotinylated ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	19	ChEMBL_1622055 (CHEMBL3864407)	Displacement of biotinylated ligand from recombinant His-tagged BPTF (unknown origin) measured after 10 mins by TR-FRET assay
50047994	10	ChEMBL_1622033 (CHEMBL3864385)	Displacement of biotinylated ligand from BRD4 bromodomain-1 (unknown origin) by TR-FRET assay
50047994	11	ChEMBL_1622056 (CHEMBL3864408)	Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-2 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	8	ChEBML_1622037	Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	12	ChEBML_1622062	Displacement of biotinylated ligand from recombinant His-tagged PCAF (unknown origin) measured after 10 mins by TR-FRET assay
50047994	27	ChEMBL_1622062 (CHEMBL3864414)	Displacement of biotinylated ligand from recombinant His-tagged PCAF (unknown origin) measured after 10 mins by TR-FRET assay
50047994	13	ChEBML_1622061	Displacement of biotinylated ligand from recombinant His-tagged GCN5 long isoform (unknown origin) measured after 10 mins by TR-FRET assay
50047994	28	ChEMBL_1622038 (CHEMBL3864390)	Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	16	ChEMBL_1622046 (CHEMBL3864398)	Inhibition of CBP/EP300 in human MV4-11 cells assessed as inhibition of MYC expression measured after 4 hrs by luminescence analysis
50047994	17	ChEMBL_1622034 (CHEMBL3864386)	Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated CBP (unknown origin) expressed in HEK293 cells after overnight incubation by BRET assay
50047994	29	ChEMBL_1622061 (CHEMBL3864413)	Displacement of biotinylated ligand from recombinant His-tagged GCN5 long isoform (unknown origin) measured after 10 mins by TR-FRET assay
50047994	15	ChEMBL_1622058 (CHEMBL3864410)	Displacement of biotinylated ligand from recombinant His-tagged BRD9 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	22	ChEMBL_1622085 (CHEMBL3864437)	Inhibition of CBP/EP300 in human MOLM16 cells assessed as decrease in MYC expression measured after 4 hrs by RT-PCR analysis
50047994	18	ChEMBL_1622045 (CHEMBL3864397)	Displacement of biotinylated ligand from recombinant His-tagged EP300 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	21	ChEMBL_1622063 (CHEMBL3864415)	Displacement of biotinylated ligand from recombinant His-tagged TAF1 bromodomain 1 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	30	ChEMBL_1622064 (CHEMBL3864416)	Displacement of biotinylated ligand from recombinant His-tagged TAF1 bromodomain 2 (unknown origin) measured after 10 mins by TR-FRET assay
50047994	20	ChEMBL_1622054 (CHEMBL3864406)	Displacement of biotinylated ligand from recombinant His-tagged BAZ2B (unknown origin) measured after 10 mins by TR-FRET assay
50047994	31	ChEMBL_1622060 (CHEMBL3864412)	Displacement of biotinylated ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay
50047995	1	ChEMBL_1622120 (CHEMBL3864472)	Inhibition of recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS/Nrf2-ETGE peptide interaction assessed as displacement of fluorescently-labeled LQLDEETGEFLPIQGK from Kelch domain after 1 hr by FP assay
50047995	2	ChEMBL_1622116 (CHEMBL3864468)	Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-based FP assay
50047995	3	ChEMBL_1622122 (CHEMBL3864474)	Inhibition of recombinant human N-terminal His6-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli interaction with Nrf2 assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 30 mins by FP assay
50047995	4	ChEMBL_1622123 (CHEMBL3864475)	Inhibition of Keap1 Kelch domain (unknown origin) interaction with Nrf2 assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain by FP assay
50047995	5	ChEMBL_1622118 (CHEMBL3864470)	Binding affinity to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS by SPR-based solution competition assay
50047995	6	ChEMBL_1622121 (CHEMBL3864473)	Binding affinity to mouse Keap1 Kelch domain expressed in Escherichia coli BL21 by VP-ITC assay
50047995	7	ChEMBL_1622117 (CHEMBL3864469)	Binding affinity to Keap1 (unknown origin) Kelch domain by ITC assay
50047995	8	ChEMBL_1622119 (CHEMBL3864471)	Binding affinity to His-tagged Keap1 (unknown origin) Kelch domain expressed in Escherichia coli BL21(DE3) pLysS by ITC assay
50047995	9	ChEMBL_1622115 (CHEMBL3864467)	Inhibition of recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS interaction with Nrf2 assessed as displacement of FITC-LDEETGEFL-NH2 from Keap1 Kelch domain after 30 mins by FP assay
50047995	10	ChEMBL_1622114 (CHEMBL3864466)	Binding affinity to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3)pLysS by fluorescence polarization assay
50047996	1	ChEMBL_1622137 (CHEMBL3864489)	Displacement of [3H]kianic acid from recombinant GluK1 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr
50047996	2	ChEMBL_1622138 (CHEMBL3864490)	Displacement of [3H]kianic acid from recombinant GluK2 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr
50047997	1	ChEMBL_1622141 (CHEMBL3864493)	Inhibition of Smo-mediated Hh signalling pathway in mouse Shh Light2 cells by Gli-luciferase reporter gene assay
50047997	2	ChEMBL_1622144 (CHEMBL3864496)	Inhibition of human ERG
50047997	3	ChEMBL_1622157 (CHEMBL3864509)	Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 50 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
50047997	4	ChEMBL_1622158 (CHEMBL3864510)	Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 100 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
50047997	5	ChEMBL_1622159 (CHEMBL3864511)	Inhibition of Smo in mouse Shh Light2 cells assessed as inhibition of SAG-induced Hh pathway activity by measuring SAG-EC50 at 500 nM measured after 36 hrs by Gli-luciferase reporter gene assay (Rvb = 2.93 nM)
50047998	1	ChEMBL_1622193 (CHEMBL3864545)	Inhibition of human recombinant full length GST-tagged MAPK14 phosphorylation expressed in Escherichia coli in presence of 500 uM of ATP by direct Z-LITE assay
50047998	2	ChEMBL_1622194 (CHEMBL3864546)	Inhibition of human recombinant full length GST-tagged MAPK14 phosphorylation expressed in Escherichia coli in presence of 100 uM of ATP by direct Z-LITE assay
50048000	1	ChEMBL_1622290 (CHEMBL3864642)	Inhibition of chymotrypsin-like activity of 20S proteasome (unknown origin) using succinyl-leu-leu-val-tyr-7-amino-4-methyl coumarin as substrate after 15 mins by fluorescent spectroscopic method
50048000	2	ChEMBL_1622284 (CHEMBL3864636)	Inhibition of chymotrypsin-like activity of human 20S proteasome preincubated for 15 mins followed by addition of Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence analysis
50048001	1	ChEMBL_1622434 (CHEMBL3864786)	Inhibition of p110delta (unknown origin) assessed as decrease in ATP consumption after 60 mins by Kinase-Glo assay
50048001	2	ChEMBL_1622431 (CHEMBL3864783)	Inhibition of p110alpha (unknown origin) assessed as decrease in ATP consumption after 60 mins by Kinase-Glo assay
50048001	3	ChEMBL_1622433 (CHEMBL3864785)	Inhibition of p110gamma (unknown origin) assessed as decrease in ATP consumption after 60 mins by Kinase-Glo assay
50048001	4	ChEMBL_1622432 (CHEMBL3864784)	Inhibition of p110beta (unknown origin) assessed as decrease in ATP consumption after 60 mins by Kinase-Glo assay
50048002	1	ChEMBL_1622438 (CHEMBL3864790)	Displacement of [3H]-NF608 from rat recombinant GluK1 receptor expressed in baculovirus infected insect Sf9 cell membranes after 60 mins
50048002	2	ChEMBL_1622439 (CHEMBL3864791)	Displacement of [3H]-kainate from rat recombinant GluK3 receptor expressed in baculovirus infected insect Sf9 cell membranes after 60 mins
50048002	3	ChEMBL_1622444 (CHEMBL3864796)	Antagonist activity at recombinant GluK3 receptor (unknown origin) expressed in Xenopus oocyte assessed as inhibition of glutamate-induced current amplitude by voltage-clamp method
50048002	4	ChEMBL_1622442 (CHEMBL3864794)	Displacement of [3H]-kainate from human recombinant GluK2 receptor expressed in HEK293 cell membranes after 60 mins
50048002	5	ChEMBL_1622443 (CHEMBL3864795)	Displacement of [3H]-kainate from human recombinant GluK5 receptor expressed in HEK293 cell membranes after 60 mins
50048003	1	ChEMBL_1622464 (CHEMBL3864816)	Inhibition of radiolabeled dofetilide binding to human ERG expressed in HEK293 cells
50048003	2	ChEMBL_1622454 (CHEMBL3864806)	Inhibition of recombinant Pim2 (unknown origin) by electrochemiluminescence assay
50048003	3	ChEMBL_1622453 (CHEMBL3864805)	Inhibition of recombinant Pim1 (unknown origin) by electrochemiluminescence assay
50048003	4	ChEMBL_1622455 (CHEMBL3864807)	Inhibition of Pim1/2 in human KMS-12 cells assessed as decrease in BAD phosphorylation at Ser112 by Western blot method
50048003	5	ChEMBL_1622517 (CHEMBL3864869)	Inhibition of Pim3 (unknown origin)
50048004	1	ChEMBL_1622551 (CHEMBL3864903)	Inhibition of recombinant KDR (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	2	ChEMBL_1622558 (CHEMBL3864910)	Inhibition of recombinant ABL (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	3	ChEMBL_1622537 (CHEMBL3864889)	Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	4	ChEMBL_1622561 (CHEMBL3864913)	Inhibition of recombinant c-Kit (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	5	ChEMBL_1622549 (CHEMBL3864901)	Inhibition of human ERG
50048004	6	ChEMBL_1622552 (CHEMBL3864904)	Inhibition of recombinant PDGFR-alpha (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	7	ChEMBL_1622554 (CHEMBL3864906)	Inhibition of recombinant IGF1R (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	8	ChEMBL_1622556 (CHEMBL3864908)	Inhibition of recombinant ErbB2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	9	ChEMBL_1622560 (CHEMBL3864912)	Inhibition of recombinant c-Src (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	10	ChEMBL_1622559 (CHEMBL3864911)	Inhibition of recombinant EPHA2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	11	ChEMBL_1622553 (CHEMBL3864905)	Inhibition of recombinant PDGFR-beta (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	12	ChEMBL_1622557 (CHEMBL3864909)	Inhibition of recombinant ErbB4 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048004	13	ChEMBL_1622555 (CHEMBL3864907)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50048005	1	ChEMBL_1622575 (CHEMBL3864927)	Inhibition of recombinant human N-terminus IDO1 expressed in Escherichia coli assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 180 mins by UV absorbance based assay
50048006	1	ChEMBL_1622607 (CHEMBL3864959)	Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma
50048007	1	ChEMBL_1622626 (CHEMBL3864978)	Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50048007	2	ChEMBL_1622627 (CHEMBL3864979)	Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50048007	3	ChEMBL_1622633 (CHEMBL3864985)	Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 45 mins followed by substrate addition by fluorescence assay
50048007	4	ChEMBL_1622625 (CHEMBL3864977)	Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50048007	5	ChEMBL_1622647 (CHEMBL3864999)	Inhibition of human recombinant DTT-activated caspase-1 expressed in Escherichia coli using WEHD-AMC as substrate after 30 mins by fluorescence assay
50048007	6	ChEMBL_1622632 (CHEMBL3864984)	Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50048008	1	ChEMBL_1622707 (CHEMBL3865059)	Inhibition of recombinant Plasmodium falciparum PKG assessed as decrease in depletion of ATP by Kinase glo luciferase assay
50048008	2	ChEMBL_1622708 (CHEMBL3865060)	Inhibition of human ERG
50048008	3	ChEMBL_1622696 (CHEMBL3865048)	Inhibition of recombinant Toxoplasma gondii CDPK1 using Syntide 2 as substrate assessed as decrease in depletion of ATP after 90 mins by Kinase glo luciferase assay
50048008	4	ChEMBL_1622697 (CHEMBL3865049)	Inhibition of human SRC using Ac-EIYGEFKKK as substrate after 90 mins by Kinase glo luciferase assay
50048009	1	ChEBML_1622710	Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase substrate by horseradish peroxidase/choline oxidase-coupled assay
50048009	10	ChEMBL_1622710 (CHEMBL3865062)	Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase substrate by horseradish peroxidase/choline oxidase-coupled assay
50048009	9	ChEMBL_1622711 (CHEMBL3865063)	Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horseradish peroxidase/choline oxidase-coupled assay
50048009	8	ChEMBL_1622747 (CHEMBL3865099)	Inhibition of ATX in human plasma assessed as decrease in LPA C18:1 levels after 24 hrs by horseradish peroxidase/choline oxidase-coupled assay
50048009	7	ChEMBL_1622748 (CHEMBL3865100)	Inhibition of human recombinant ATX/LPC 18:1-mediated mouse 4T1 cell migration after overnight incubation by Transwell assay
50048010	1	ChEMBL_1622750 (CHEMBL3865102)	Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method
50048010	2	ChEMBL_1622762 (CHEMBL3865114)	Antagonist activity at human Galphai4qi4-coupled CXCR3A expressed in engineered CHO cells assessed as inhibition of IP-10-induced calcium mobilization by FLIPR assay
50048011	1	ChEMBL_1622765 (CHEMBL3865117)	Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method
50048011	2	ChEMBL_1622770 (CHEMBL3865122)	Inhibition of human ERG
50048012	1	ChEMBL_1622780 (CHEMBL3865132)	Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spectrophotometric method
50048012	2	ChEMBL_1622793 (CHEMBL3865145)	Mixed-type inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Lineweaver-Burk plot analysis
50048013	1	ChEMBL_1622834 (CHEMBL3865186)	Binding affinity to STAT3 (unknown origin) expressed in Escherichia coli expression system by SPR assay
50048014	1	ChEMBL_1622851 (CHEMBL3865203)	Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins followed by CaCl2 addition by fluo-4 dye-based FLIPR assay
50048014	2	ChEMBL_1622852 (CHEMBL3865204)	Channel blocking activity at recombinant human CaV 3.2 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins followed by CaCl2 addition by fluo-4 dye-based FLIPR assay
50048014	3	ChEMBL_1622853 (CHEMBL3865205)	Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins followed by CaCl2 addition by fluo-4 dye-based FLIPR assay
50048014	4	ChEMBL_1622840 (CHEMBL3865192)	Inhibition of human CaV 3.1 by manual patch clamp assay
50048014	5	ChEMBL_1622842 (CHEMBL3865194)	Inhibition of human CaV 3.3 by manual patch clamp assay
50048014	6	ChEMBL_1622838 (CHEMBL3865190)	Inhibition of CaV 3.2 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay
50048014	7	ChEMBL_1622841 (CHEMBL3865193)	Inhibition of human CaV 3.2 by manual patch clamp assay
50048014	8	ChEMBL_1622839 (CHEMBL3865191)	Inhibition of CaV 3.3 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay
50048014	9	ChEMBL_1622860 (CHEMBL3865212)	Inhibition of CYP3A4 (unknown origin)
50048014	10	ChEMBL_1622837 (CHEMBL3865189)	Inhibition of CaV 3.1 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay
50048015	1	ChEMBL_1622880 (CHEMBL3865232)	Binding affinity to human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay
50048015	2	ChEMBL_1622882 (CHEMBL3865234)	Binding affinity to human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay
50048015	3	ChEMBL_1622883 (CHEMBL3865235)	Binding affinity to human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay
50048015	4	ChEMBL_1622884 (CHEMBL3865236)	Binding affinity to human MTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay
50048015	5	ChEMBL_1622885 (CHEMBL3865237)	Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Ser473 after 60 mins by ELISA
50048015	6	ChEMBL_1622886 (CHEMBL3865238)	Inhibition of PI3Kbeta in human PC3 cells assessed as suppression of AKT phosphorylation at Thr308 after 60 mins by ELISA
50048015	7	ChEMBL_1622881 (CHEMBL3865233)	Binding affinity to human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay
50048016	1	ChEMBL_1622887 (CHEMBL3865239)	Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 1 hr by TopCount scintillation counting method
50048017	1	ChEMBL_1622889 (CHEMBL3865241)	Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs
50048017	2	ChEMBL_1622888 (CHEMBL3865240)	Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs
50048017	3	ChEMBL_1622890 (CHEMBL3865242)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting
50048018	1	ChEMBL_1622892 (CHEMBL3865244)	Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated MEK1 ATP binding site K97R mutant as substrate preincubated for 60 mins followed by ATP addition measured after 1 hr by alpha screen assay
50048019	1	ChEMBL_1622896 (CHEMBL3865248)	Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by fluorescence-based assay
50048020	1	ChEMBL_1622927 (CHEMBL3865279)	Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-stimulated MerTK phosphorylation preincubated for 30 mins followed by EGF stimulation for 15 mins by ELISA
50048020	2	ChEMBL_1622926 (CHEMBL3865278)	Inhibition of Flt3 (unknown origin) by microfluidic capillary electrophoresis assay
50048020	3	ChEMBL_1622922 (CHEMBL3865274)	Inhibition of Tyro3 (unknown origin) by microfluidic capillary electrophoresis assay
50048020	4	ChEMBL_1622920 (CHEMBL3865272)	Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay
50048020	5	ChEMBL_1622921 (CHEMBL3865273)	Inhibition of Axl (unknown origin) by microfluidic capillary electrophoresis assay
50048021	1	ChEMBL_1622980 (CHEMBL3865332)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 mins by whole cell voltage clamp method
50048021	2	ChEMBL_1623004 (CHEMBL3865356)	Inhibition of 20% inactivated human Nav1.6 expressed in HEK293 cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	3	ChEMBL_1622981 (CHEMBL3865333)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -125 mV measured for 3 to 5 mins by whole cell voltage clamp method
50048021	4	ChEMBL_1622995 (CHEMBL3865347)	Inhibition of 20% inactivated rat Nav1.7 expressed in HEK293T cells assessed as inhibition of sodium current measured for 3 to 5 mins by whole cell voltage clamp method
50048021	5	ChEMBL_1622993 (CHEMBL3865345)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -60 mV measured for 3 to 5 mins by whole cell voltage clamp method
50048021	6	ChEMBL_1622994 (CHEMBL3865346)	Inhibition of 20% inactivated mouse Nav1.7 expressed in HEK293 cells assessed as inhibition of sodium current measured for 3 to 5 mins by whole cell voltage clamp method
50048021	7	ChEMBL_1622999 (CHEMBL3865351)	Inhibition of 20% inactivated human Nav1.1 expressed in HEK293 cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	8	ChEMBL_1623001 (CHEMBL3865353)	Inhibition of 20% inactivated human Nav1.3 expressed in CHO cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	9	ChEMBL_1623003 (CHEMBL3865355)	Inhibition of 20% inactivated human Nav1.5 expressed in HEK293 cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	10	ChEMBL_1623006 (CHEMBL3865358)	Inhibition of 20% inactivated human Nav1.8 expressed in CHO cells assessed as inhibition of TTX-resistant current by whole cell patch clamp method
50048021	11	ChEMBL_1623007 (CHEMBL3865359)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes measured after 90 mins by TopCount scintillation counting method
50048021	12	ChEMBL_1622998 (CHEMBL3865350)	Inhibition of 20% inactivated Nav1.7 in C57BL/6 mouse DRG neurons assessed as inhibition of sodium currents in presence of TTX by whole cell patch clamp assay
50048021	13	ChEMBL_1622992 (CHEMBL3865344)	Inhibition of human Nav1.7 in closed state expressed in HEK293 cells assessed as inhibition of sodium current at holding potential of -140 mV measured for 3 to 5 mins by whole cell voltage clamp method
50048021	14	ChEMBL_1623000 (CHEMBL3865352)	Inhibition of 20% inactivated human Nav1.2 expressed in CHO cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	15	ChEMBL_1623005 (CHEMBL3865357)	Inhibition of 20% inactivated human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048021	16	ChEMBL_1623002 (CHEMBL3865354)	Inhibition of 20% inactivated human Nav1.4 expressed in HEK293 cells assessed as inhibition of peak inward current by whole cell patch clamp method
50048022	1	ChEMBL_1623040 (CHEMBL3865392)	Inhibition of human biotin protein ligase assessed as reduction in 3H-biotin incorporation into pyruvate carboxylase biotin domain after 10 mins by liquid scintillation counting analysis
50048023	1	ChEMBL_1623048 (CHEMBL3865400)	Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluorescence spectrophotometric analysis
50048023	2	ChEMBL_1623049 (CHEMBL3865401)	Inhibition of Trypanosoma cruzi cruzain
50048023	3	ChEMBL_1623050 (CHEMBL3865402)	Inhibition of human cathepsin B
50048023	4	ChEMBL_1623051 (CHEMBL3865403)	Inhibition of human cathepsin L
50048024	1	ChEMBL_1623085 (CHEMBL3865437)	Inhibition of human urokinase
50048024	2	ChEMBL_1623064 (CHEMBL3865416)	Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins
50048024	3	ChEMBL_1623067 (CHEMBL3865419)	Inhibition of human tissue kallikrein using H-D-Val-Leu-Arg-AFC as substrate
50048024	4	ChEMBL_1623081 (CHEMBL3865433)	Inhibition of human coagulation factor-11a
50048024	5	ChEMBL_1623082 (CHEMBL3865434)	Inhibition of human thrombin
50048024	6	ChEMBL_1623080 (CHEMBL3865432)	Inhibition of human coagulation factor-10a
50048024	7	ChEMBL_1623079 (CHEMBL3865431)	Inhibition of human coagulation factor-9a
50048024	8	ChEMBL_1623083 (CHEMBL3865435)	Inhibition of human plasma kallikrein
50048024	9	ChEMBL_1623084 (CHEMBL3865436)	Inhibition of human TPA
50048024	10	ChEMBL_1623086 (CHEMBL3865438)	Inhibition of human activated protein C
50048024	11	ChEMBL_1623070 (CHEMBL3865422)	Binding affinity to human plasmin
50048025	2	ChEMBL_1623102 (CHEMBL3865454)	Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis
50048025	3	ChEMBL_1623100 (CHEMBL3865452)	Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analysis
50048026	1	ChEMBL_1623114 (CHEMBL3865466)	Inhibition of recombinant human C-terminal 6His-tagged complement factor D (26 to 253 residues) expressed in Sf9 insect cells preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 50 mins at 1 min interval
50048026	2	ChEMBL_1623111 (CHEMBL3865463)	Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by biolayer interferometry method
50048026	3	ChEMBL_1623110 (CHEMBL3865462)	Competitive inhibition of human complement factor D preincubated for 1 hr followed by addition of Z-Lys-thiobenzyl ester as substrate measured over 50 mins at 1 min interval
50048026	4	ChEMBL_1623109 (CHEMBL3865461)	Binding affinity to complement factor D (unknown origin)
50048026	5	ChEMBL_1623115 (CHEMBL3865467)	Inhibition of human serum factor D-mediated complement activation in rabbit erythrocytes assessed as reduction in rabbit erythrocyte hemolysis preincubated with human serum for 15 mins followed by addition of rabbit erythrocytes and Mg-EGTA measured after 30 mins
50048027	1	ChEMBL_1623119 (CHEMBL3865471)	Inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-SAM by scintillation proximity assay
50048027	2	ChEMBL_1623122 (CHEMBL3865474)	Competitive inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of varying levels of [3H]SAM by Lineweaver-Burk plot analysis
50048027	3	ChEMBL_1623123 (CHEMBL3865475)	Competitive inhibition of human SETD8 (186 to 352 residues) using biotin-labeled H4K20 (1 to 24 residues) as substrate after 1 hr in presence of 3H-SAM by scintillation proximity assay
50048027	4	ChEMBL_1623121 (CHEMBL3865473)	Inhibition of SETD8 (unknown origin) using biotin-labeled H4 (1 to 24 residues) as substrate after 1 hr in presence of [3H]SAM by scintillation proximity assay
50048028	1	ChEMBL_1623127 (CHEMBL3865479)	Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay
50048028	2	ChEMBL_1623126 (CHEMBL3865478)	Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay
50048028	3	ChEMBL_1623125 (CHEMBL3865477)	Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay
50048028	4	ChEMBL_1623142 (CHEMBL3865494)	Inhibition of Cav1.2 (unknown origin)
50048028	5	ChEMBL_1623141 (CHEMBL3865493)	Inhibition of human ERG
50048028	6	ChEMBL_1623128 (CHEMBL3865480)	Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay
50048028	7	ChEMBL_1623138 (CHEMBL3865490)	Inhibition of CYP2D6 (unknown origin)
50048028	8	ChEMBL_1623139 (CHEMBL3865491)	Inhibition of CYP3A4 (unknown origin)
50048028	9	ChEMBL_1623140 (CHEMBL3865492)	Inhibition of Nav1.5 (unknown origin)
50048029	1	ChEMBL_1623169 (CHEMBL3865521)	Inhibition of human recombinant DHODH
50048029	2	ChEMBL_1623173 (CHEMBL3865525)	Inhibition of human recombinant DHODH expressed in baculovirus infected insect cells using dihydroorotate as substrate in presence of quinone by dichlorophenol-indophenol dye based assay
50048030	1	ChEMBL_1623177 (CHEMBL3865529)	Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay
50048030	2	ChEMBL_1623199 (CHEMBL3865551)	Inhibition of N-Terminal His6-tagged full length recombinant human FYN expressed in baculovirus expression system
50048030	3	ChEMBL_1623178 (CHEMBL3865530)	Inhibition of PAK1 phosphorylation in human MCF10A cells
50048030	4	ChEMBL_1623196 (CHEMBL3865548)	Inhibition of N-terminal 6His-tagged recombinant human PAK2 (3-end residues) expressed in Escherichia coli
50048030	5	ChEMBL_1623201 (CHEMBL3865553)	Inhibition of N-terminal 6His-tagged full length recombinant human LCK expressed in baculovirus expression system
50048030	6	ChEMBL_1623198 (CHEMBL3865550)	Inhibition of C-terminal 6His-tagged recombinant full length human PKCtheta expressed in fall armyworm Sf21 cells
50048030	7	ChEMBL_1623194 (CHEMBL3865546)	Inhibition of N-terminal FLAG-tagged recombinant human PAK1 (150-end residues) expressed in baculovirus expression system
50048030	8	ChEMBL_1623216 (CHEMBL3865568)	Binding affinity to human PAK1 (S149 to H545 residues) expressed in bacterial expression system by KINOMEscan assay
50048030	9	ChEMBL_1623197 (CHEMBL3865549)	Inhibition of N-terminal his6-tagged recombinant full-length human LYN expressed in baculovirus infected Sf21 cells
50048030	10	ChEMBL_1623179 (CHEMBL3865531)	Inhibition of PAK1 phosphorylation in human OVCAR3 cells
50048030	11	ChEMBL_1623217 (CHEMBL3865569)	Binding affinity to human PAK2 (P151 to R525 residues) expressed in bacterial expression system by KINOMEscan assay
50048030	12	ChEMBL_1623200 (CHEMBL3865552)	Inhibition of N-terminal His6-tagged recombinant human Src (1 to 530 residues) expressed in baculovirus infected sf21 cells
50048030	13	ChEMBL_1623195 (CHEMBL3865547)	Inhibition of N-terminal 6His-tagged full length recombinant human YES expressed in baculovirus expression system
50048031	1	ChEMBL_1623243 (CHEMBL3865595)	Agonist activity at human GPR40 expressed in HEK293 cells measured after 18 to 20 hrs by beta-gal based luciferase reporter gene assay
50048031	2	ChEMBL_1623251 (CHEMBL3865603)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of IP1 formation after 1 hr by ELISA
50048031	3	ChEMBL_1623252 (CHEMBL3865604)	Agonist activity at GPR40 in rat RINm cells assessed as increase glucose-stimulated insulin secretion after 1 hr by ELISA
50048031	4	ChEMBL_1623250 (CHEMBL3865602)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of intracellular Ca2+ flux preincubated for 40 mins measured for 180 secs by fluo-4 NW dye-based assay
50048032	1	ChEMBL_1623314 (CHEMBL3865666)	Inhibition of GST-tagged full length human SYK (1 to 635 end residues) expressed in baculovirus expression system preincubated for 10 mins followed by Blk/Lyntide substrate and ATP addition measured after 45 mins TR-FRET assay
50048032	2	ChEMBL_1623328 (CHEMBL3865680)	Inhibition of His-tagged recombinant full length human CHK2 expressed in baculovirus
50048032	3	ChEMBL_1623327 (CHEMBL3865679)	Inhibition of GST-tagged recombinant human LRRK2 (970 to 2527 residues) expressed in baculovirus
50048032	4	ChEMBL_1623329 (CHEMBL3865681)	Inhibition of TSSK3 (unknown origin)
50048032	5	ChEMBL_1623330 (CHEMBL3865682)	Inhibition of human ERG
50048032	6	ChEMBL_1623317 (CHEMBL3865669)	Inhibition of LCK activated GST-fused ZAP70 (unknown origin) expressed in fall armyworm sf9 cells preincubated for 10 mins followed by biotin-EQEDEPEGDYFEWLE-CONH2 peptide substrate/ATP addition measured after 45 mins TR-FRET assay
50048033	1	ChEMBL_1623333 (CHEMBL3865685)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate after 20 mins by [gamma-33P]ATP based assay
50048033	2	ChEMBL_1623334 (CHEMBL3865686)	Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate in presence of streptavidin-APC by FRET assay
50048033	3	ChEMBL_1623367 (CHEMBL3865719)	Inhibition of BTK (unknown origin) by FRET assay
50048033	4	ChEMBL_1623366 (CHEMBL3865718)	Inhibition of PI3Kdelta (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay
50048033	5	ChEMBL_1623365 (CHEMBL3865717)	Inhibition of PI3Kgamma (unknown origin) in presence of [gamma-32P]ATP by phosphorimaging assay
50048034	1	ChEMBL_1623373 (CHEMBL3865725)	Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay
50048034	2	ChEMBL_1623372 (CHEMBL3865724)	Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay
50048035	1	ChEMBL_1623397 (CHEMBL3865749)	Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured every 30 sec for 10 mins
50048036	1	ChEMBL_1623427 (CHEMBL3865779)	Inhibition of VEGFR2 (unknown origin) by mobility shift/LanthaScreen assay
50048037	1	ChEMBL_1623495 (CHEMBL3865907)	Inhibition of Staphylococcus aureus ATCC 29213 N-terminal His6-tagged FtsZ GTPase activity expressed in Escherichia coli BL21(DE3) assessed as reduction in inorganic phosphate release preincubated for 10 mins followed by GTP addition after 30 mins
50048037	2	ChEMBL_1623466 (CHEMBL3865878)	Inhibition of Staphylococcus aureus FtsZ GTPase activity
50048037	3	ChEMBL_1623447 (CHEMBL3865859)	Inhibition of Staphylococcus aureus N-terminal His6-tagged FtsZ GTPase activity expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by GTP addition after 30 mins by cytophos phosphate assay
50048037	4	ChEMBL_1623458 (CHEMBL3865870)	Inhibition of recombinant Escherichia coli K12 FtsZ assembly by light-scattering assay
50048037	5	ChEMBL_1623459 (CHEMBL3865871)	Inhibition of recombinant Escherichia coli K12 FtsZ GTPase activity by malachite green sodium molybdate assay
50048038	2	ChEMBL_1623558 (CHEMBL3865970)	Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days in presence of NQO1 inhibitor dicoumarol by Hoechst 33258 staining based assay
50048038	1	ChEBML_1623557	Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining based assay
50048038	3	ChEMBL_1623557 (CHEMBL3865969)	Activation of NQO1 in human A549 cells assessed as decrease in cell survival incubated for 2 hrs measured after 7 days by Hoechst 33258 staining based assay
50048039	1	ChEBML_1623646	Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay
50048039	2	ChEBML_1623659	Inhibition of His-tagged full length recombinant human HDAC8 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay
50048039	3	ChEBML_1623658	Inhibition of full length recombinant human HDAC6 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay
50048039	4	ChEBML_1623657	Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system assessed as release of 7-amino-4-methylcoumarin by fluorogenic assay
50048040	1	ChEBML_1623809	Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as inorganic phosphate release after 120 mins in presence of ATP by malachite green dye based assay
50048041	1	ChEBML_1623937	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by flow cytometric analysis
50048042	1	ChEBML_1623997	Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence assay
50048042	2	ChEBML_1623998	Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence assay
50048042	3	ChEMBL_1624010 (CHEMBL3866422)	Inhibition of PI3Kbeta in human platelet-rich plasma assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP stimulation after 10 mins by light transmission aggregometric analysis
50048042	4	ChEMBL_1624003 (CHEMBL3866415)	Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP stimulation after 10 mins by light transmission aggregometric analysis
50048042	5	ChEMBL_1623997 (CHEMBL3866409)	Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence assay
50048043	9	ChEMBL_1624046 (CHEMBL3866458)	Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 as substrate measured after 20 to 30 mins in presence of [gamma-32P]ATP by scintillation counting method
50048043	2	ChEBML_1624075	Inhibition of CDK2 (unknown origin)
50048043	3	ChEMBL_1624058 (CHEMBL3866470)	Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic acid-tyrosine (4:1)) as substrate and ATP by ELISA
50048043	10	ChEMBL_1624047 (CHEMBL3866459)	Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 as substrate measured after 30 to 60 mins in presence of [gamma-32P]ATP by scintillation counting method
50048043	5	ChEBML_1624058	Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic acid-tyrosine (4:1)) as substrate and ATP by ELISA
50048043	6	ChEBML_1624060	Inhibition of GSK-3beta (unknown origin) assessed as inhibition of phosphorylation using Ser/Thr 9 peptide as substrate by FRET-based Z-LYTE assay
50048043	7	ChEMBL_1624048 (CHEMBL3866460)	Inhibition of human GST-tagged Shp2 (205 to 593 residues) expressed Escherichia coli DH5alpha assessed as inhibition of PTP activity using DiFMUP as substrate measured after 30 mins by fluorescence analysis
50048043	4	ChEBML_1624047	Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 as substrate measured after 30 to 60 mins in presence of [gamma-32P]ATP by scintillation counting method
50048043	1	ChEBML_1624046	Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 as substrate measured after 20 to 30 mins in presence of [gamma-32P]ATP by scintillation counting method
50048043	8	ChEBML_1624076	Inhibition of GST-tagged Shp2 PTP domain (unknown origin) using DiFMUP as substrate measured after 5 to 10 mins by fluorescence analysis
50048044	1	ChEMBL_1624147 (CHEMBL3866559)	Inhibition of His-sumo-tagged BALB/c mouse thymus histone methyltransferase G9a (969 to 1263 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) by SPR assay
50048044	2	ChEBML_1624147	Inhibition of His-sumo-tagged BALB/c mouse thymus histone methyltransferase G9a (969 to 1263 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) by SPR assay
50048045	1	ChEBML_1624157	Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1 inhibitor GF120918 and ABCC1 inhibitor MK-571 by flow cytometry
50048045	2	ChEMBL_1624164 (CHEMBL3866576)	Inhibition of ABCC2 (unknown origin)
50048046	1	ChEMBL_1624212 (CHEMBL3866624)	Antagonist activity at human EGFP-fused CCR3 expressed in mouse L1.2 cells assessed as inhibition of CCL11-induced chemotaxis measured after 1.5 hrs by PicoGreen dsDNA reagent-based assay
50048047	1	ChEMBL_1624267 (CHEMBL3866679)	Inhibition of FLAP in human neutrophils assessed as suppression of A23187-stimulated 5-LO product formation using arachidonic acid as substrate preincubated for 15 mins followed by A23187/arachidonic acid addition after 10 mins RP-HPLC/UV analysis
50048047	2	ChEMBL_1624269 (CHEMBL3866681)	Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation preincubated for 15 mins followed by A23187 after 10 mins RP-HPLC/UV analysis
50048047	3	ChEMBL_1624271 (CHEMBL3866683)	Inhibition of FLAP in human monocytes assessed as suppression of fMLP/LPS-stimulated cys-LT formation preincubated for 15 mins measured after 10 mins by ELISA
50048047	4	ChEMBL_1624270 (CHEMBL3866682)	Inhibition of FLAP in human monocytes assessed as suppression of A23187-stimulated 5-LO product formation using 10 uM arachidonic acid as substrate preincubated for 15 mins followed by A23187/arachidonic acid addition after 10 mins by RP-HPLC/UV analysis
50048048	1	ChEMBL_1624369 (CHEMBL3866781)	Inhibition of GTPgammaS-induced activation of GIRK1/4 (unknown origin) expressed in HEK293 cells assessed as decrease in channel current after 2 mins at -40 mV holding potential by automated patch-clamp electrophysiology assay
50048049	1	ChEMBL_1624421 (CHEMBL3866833)	Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma32P]ATP
50048049	2	ChEMBL_1624420 (CHEMBL3866832)	Inhibition of CDK4 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma32P]ATP
50048050	1	ChEMBL_1624443 (CHEMBL3866855)	Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method
50048050	2	ChEMBL_1624444 (CHEMBL3866856)	Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method
50048050	3	ChEMBL_1624439 (CHEMBL3866851)	Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method
50048051	1	ChEMBL_1624520 (CHEMBL3866932)	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay
50048051	2	ChEMBL_1624519 (CHEMBL3866931)	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay
50048051	3	ChEMBL_1624522 (CHEMBL3866934)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as reduction in NKH-477-induced intracellular cAMP levels after 30 mins in presence of NKH-477 by luminescence assay
50048052	1	ChEMBL_1624621 (CHEMBL3867033)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay
50048052	2	ChEMBL_1624623 (CHEMBL3867035)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay
50048052	3	ChEMBL_1624624 (CHEMBL3867036)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by ADP-glo based luminescence assay
50048052	4	ChEMBL_1624622 (CHEMBL3867034)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr in presence of ATP by lance ultra assay
50048052	5	ChEMBL_1624625 (CHEMBL3867037)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate after 1 hr in presence of ATP by kinase-glo luminescence assay
50048053	1	ChEMBL_1624744 (CHEMBL3867156)	Inhibition of hog pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by dinitrosalicylic acid color reagent-based UV-Vis spectrophotometric analysis
50048054	1	ChEMBL_1624779 (CHEMBL3867191)	Reversible inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis
50048054	2	ChEMBL_1624780 (CHEMBL3867192)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50048054	3	ChEMBL_1624781 (CHEMBL3867193)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50048054	4	ChEMBL_1624783 (CHEMBL3867195)	Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate in presence of NADPH by LC-MS/MS analysis
50048054	5	ChEMBL_1624784 (CHEMBL3867196)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis
50048054	6	ChEMBL_1624777 (CHEMBL3867189)	Inhibition of human full length C-terminal His6-tagged NAMPT expressed in Escherichia coli Rosetta (DE3) cells using nicotinamide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins in presence of PRPP
50048054	7	ChEMBL_1624824 (CHEMBL3867236)	Reversible inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis
50048054	8	ChEMBL_1624778 (CHEMBL3867190)	Inhibition of NAMPT in human A2780 cells assessed as decrease in cell viability after 72 hrs by SRB assay
50048054	9	ChEMBL_1624792 (CHEMBL3867204)	Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50048054	10	ChEMBL_1624782 (CHEMBL3867194)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis
50048054	11	ChEMBL_1624791 (CHEMBL3867203)	Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability after 96 hrs by CyQuant-Direct reagent based assay
50048054	12	ChEMBL_1624794 (CHEMBL3867206)	Reversible inhibition of CYP2D6 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis
50048054	13	ChEMBL_1624795 (CHEMBL3867207)	Reversible inhibition of CYP1A2 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis
50048054	14	ChEMBL_1624796 (CHEMBL3867208)	Reversible inhibition of CYP2C19 in human liver microsomes using (S)-warfarin as substrate in presence of NADPH by LC-MS/MS analysis
50048054	15	ChEMBL_1624820 (CHEMBL3867232)	Inhibition of NAMPT in human HT1080 cells assessed as decrease in cell viability by measuring plasma protein binding corrected IC50 after 96 hrs by CyQuant-Direct reagent based assay
50048054	16	ChEMBL_1624793 (CHEMBL3867205)	Reversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50048055	1	ChEMBL_1624854 (CHEMBL3867266)	Displacement of [3H]mepyramine from human wild type N-terminal hemagglutinin-tagged histamine H1 receptor expressed in HEK293T cells after 4 hrs by microbeta liquid scintillation counting analysis
50048056	1	ChEMBL_1624945 (CHEMBL3867357)	Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis
50048057	1	ChEMBL_1624949 (CHEMBL3867361)	Inhibition of human activated ERK2 assessed as reduction in phosphorylation activity preincubated for 15 mins followed by addition of IMAP peptide as substrate and ATP measured after 60 mins by fluorescence polarization method
50048058	1	ChEMBL_1624958 (CHEMBL3867370)	Antagonist activity at human Gal4-tagged estrogen receptor-beta LBD expressed in HEK293 cells measured after 24 hrs by luciferase reporter gene assay
50048058	2	ChEMBL_1624950 (CHEMBL3867362)	Antagonist activity at progesterone receptor in human T47D cells incubated for 24 hrs in presence of P4 by alkaline phosphatase assay
50048058	3	ChEMBL_1624952 (CHEMBL3867364)	Displacement of [1,2,6,7-3H]-PG from recombinant human GST-tagged PR-LBD (657 to 933 residues) expressed in baculovirus infected insect cells measured after 24 hrs by liquid scintillation counting method
50048058	4	ChEMBL_1624955 (CHEMBL3867367)	Antagonist activity at human AR expressed in HEK293 cells measured after 24 hrs by luciferase reporter gene assay
50048058	5	ChEMBL_1624957 (CHEMBL3867369)	Antagonist activity at human Gal4-tagged estrogen receptor-alpha LBD expressed in HEK293 cells measured after 24 hrs by luciferase reporter gene assay
50048058	6	ChEMBL_1624956 (CHEMBL3867368)	Antagonist activity at human glucocorticoid receptor-alpha expressed in HEK293 cells measured after 24 hrs by luciferase reporter gene assay
50048059	1	ChEMBL_1624961 (CHEMBL3867373)	Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measured after 60 mins by resazurin/diaphorase coupled assay
50048059	2	ChEMBL_1624960 (CHEMBL3867372)	Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADPH measured after 60 mins by resazurin/diaphorase coupled assay
50048060	1	ChEMBL_1624965 (CHEMBL3867377)	Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured after 15 mins in presence of bovine liver and methylene blue by spectrophotometric analysis
50048060	2	ChEMBL_1624966 (CHEMBL3867378)	Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured after 15 mins in presence of bovine liver and methylene blue by HPLC analysis
50048060	3	ChEMBL_1624969 (CHEMBL3867381)	Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for 5 hrs by spectrophotometric method
50048060	4	ChEMBL_1624973 (CHEMBL3867385)	Inhibition of N-terminal 6xHis-tagged human TDO expressed in Escherichia cli Rosetta (DE3) pLysS using L-tryptophan as substrate preincubated for 1 hr measured after 15 mins in presence of bovine liver and methylene blue by spectrophotometric analysis
50048061	1	ChEMBL_1624990 (CHEMBL3867402)	Agonist activity at human PAR2 expressed in CHO cells assessed as induction of ERK1/2 phosphorylation incubated for 10 mins measured after 2 hrs
50048061	2	ChEMBL_1624991 (CHEMBL3867403)	Agonist activity at human PAR2 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 20 mins followed by forskolin addition for 10 mins measured after 1 hr by LANCE assay
50048061	3	ChEMBL_1624983 (CHEMBL3867395)	Antagonist activity at PAR2 in human PC3 cells assessed as inhibition of 2f-LIGRLO-NH2-stimulated intracellular calcium release preincubated for 30 mins followed by stimulation measured for 60 secs by Fluo-3 AM dye based FLIPR assay
50048061	4	ChEMBL_1624982 (CHEMBL3867394)	Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release incubated for 30 mins measured for 60 secs by Fluo-3 AM dye based FLIPR assay relative to 2f-LIGRLO-NH2
50048061	5	ChEMBL_1624981 (CHEMBL3867393)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-stimulated intracellular calcium release preincubated for 30 mins followed by 2f-LIGRLO-NH2 stimulation measured for 60 sec by Fluo-3 AM dye based FLIPR assay
50048061	6	ChEMBL_1624984 (CHEMBL3867396)	Antagonist activity at PAR2 in human PC3 cells assessed as inhibition of endogenous trypsin-stimulated intracellular calcium release by Fluo-3 AM dye based FLIPR assay
50048061	7	ChEMBL_1624986 (CHEMBL3867398)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of endogenous trypsin-stimulated intracellular calcium release by Fluo-3 AM dye based FLIPR assay
50048062	1	ChEMBL_1625180 (CHEMBL3867649)	Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins
50048062	2	ChEMBL_1625178 (CHEMBL3867647)	Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins
50048062	3	ChEMBL_1625179 (CHEMBL3867648)	Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins
50048063	1	ChEMBL_1625295 (CHEMBL3867764)	Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis
50048063	2	ChEMBL_1625296 (CHEMBL3867765)	Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Handerson plot analysis
50048064	1	ChEMBL_1625309 (CHEMBL3867778)	Inhibition of human ABCB1 transfected in HEK293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 100 nM after 72 hrs by CCK8 assay (Rvb = 504.65 +/- 44.94 nM)
50048064	2	ChEMBL_1625317 (CHEMBL3867786)	Inhibition of human ABCC1 transfected in HEK293 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 at 500 nM after 72 hrs by CCK8 assay (Rvb = 38.54 +/- 5.62 nM)
50048064	3	ChEMBL_1625353 (CHEMBL3867822)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 487.57 +/- 30.54 nM)
50048064	4	ChEMBL_1625385 (CHEMBL3867854)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 5.54 +/- 0.60 uM)
50048064	5	ChEMBL_1625398 (CHEMBL3867867)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 1607.50 +/- 497.42 nM)
50048064	6	ChEMBL_1625372 (CHEMBL3867841)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 277.68 +/- 56.61 nM)
50048064	7	ChEMBL_1625411 (CHEMBL3867880)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 3714.80 +/- 383.58 nM)
50048064	8	ChEMBL_1625400 (CHEMBL3867869)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 1607.50 +/- 497.42 nM)
50048064	9	ChEMBL_1625446 (CHEMBL3867915)	Binding affinity to Vanadate-sensitive ABCB1 (unknown origin)
50048064	10	ChEMBL_1625349 (CHEMBL3867818)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 487.57 +/- 30.54 nM)
50048064	11	ChEMBL_1625383 (CHEMBL3867852)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 5.54 +/- 0.60 uM)
50048064	12	ChEMBL_1625412 (CHEMBL3867881)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 3714.80 +/- 383.58 nM)
50048064	13	ChEMBL_1625312 (CHEMBL3867781)	Inhibition of human ABCB1 transfected in HEK293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 1000 nM after 72 hrs by CCK8 assay (Rvb = 504.65 +/- 44.94 nM)
50048064	14	ChEMBL_1625415 (CHEMBL3867884)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 3714.80 +/- 383.58 nM)
50048064	15	ChEMBL_1625397 (CHEMBL3867866)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 1607.50 +/- 497.42 nM)
50048064	16	ChEMBL_1625308 (CHEMBL3867777)	Inhibition of human ABCB1 transfected in HEK293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 50 nM after 72 hrs by CCK8 assay (Rvb = 504.65 +/- 44.94 nM)
50048064	17	ChEMBL_1625311 (CHEMBL3867780)	Inhibition of human ABCB1 transfected in HEK293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 500 nM after 72 hrs by CCK8 assay (Rvb = 504.65 +/- 44.94 nM)
50048064	18	ChEMBL_1625339 (CHEMBL3867808)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 5.07 +/- 0.19 uM)
50048064	19	ChEMBL_1625341 (CHEMBL3867810)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 5.07 +/- 0.19 uM)
50048064	20	ChEMBL_1625342 (CHEMBL3867811)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 5.07 +/- 0.19 uM)
50048064	21	ChEMBL_1625352 (CHEMBL3867821)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 487.57 +/- 30.54 nM)
50048064	22	ChEMBL_1625369 (CHEMBL3867838)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 277.68 +/- 56.61 nM)
50048064	23	ChEMBL_1625370 (CHEMBL3867839)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 277.68 +/- 56.61 nM)
50048064	24	ChEMBL_1625384 (CHEMBL3867853)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 5.54 +/- 0.60 uM)
50048064	25	ChEMBL_1625399 (CHEMBL3867868)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 1607.50 +/- 497.42 nM)
50048064	26	ChEMBL_1625401 (CHEMBL3867870)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 1607.50 +/- 497.42 nM)
50048064	27	ChEMBL_1625414 (CHEMBL3867883)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 3714.80 +/- 383.58 nM)
50048064	28	ChEMBL_1625351 (CHEMBL3867820)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 487.57 +/- 30.54 nM)
50048064	29	ChEMBL_1625299 (CHEMBL3867768)	Inhibition of human ABCB1-mediated efflux transfected in HEK293 cells assessed as accumulation of fluorescent dye by calcein-AM dye based FACS analysis
50048064	30	ChEMBL_1625340 (CHEMBL3867809)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 5.07 +/- 0.19 uM)
50048064	31	ChEMBL_1625310 (CHEMBL3867779)	Inhibition of human ABCB1 transfected in HEK293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 200 nM after 72 hrs by CCK8 assay (Rvb = 504.65 +/- 44.94 nM)
50048064	32	ChEMBL_1625318 (CHEMBL3867787)	Inhibition of human ABCC1 transfected in HEK293 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 at 25000 nM after 72 hrs by CCK8 assay (Rvb = 38.54 +/- 5.62 nM)
50048064	33	ChEMBL_1625333 (CHEMBL3867802)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 5.07 +/- 0.19 uM)
50048064	34	ChEMBL_1625350 (CHEMBL3867819)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of colchicine-induced cytotoxicity by measuring colchicine IC50 at 100 nM after 72 hrs by MTT assay (Rvb = 487.57 +/- 30.54 nM)
50048064	35	ChEMBL_1625368 (CHEMBL3867837)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 277.68 +/- 56.61 nM)
50048064	36	ChEMBL_1625371 (CHEMBL3867840)	Inhibition of human ABCB1 expressed in KBV1 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 500 nM after 72 hrs by MTT assay (Rvb = 277.68 +/- 56.61 nM)
50048064	37	ChEMBL_1625382 (CHEMBL3867851)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 50 nM after 72 hrs by MTT assay (Rvb = 5.54 +/- 0.60 uM)
50048064	38	ChEMBL_1625386 (CHEMBL3867855)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 1000 nM after 72 hrs by MTT assay (Rvb = 5.54 +/- 0.60 uM)
50048064	39	ChEMBL_1625413 (CHEMBL3867882)	Inhibition of human ABCB1 expressed in NCI-ADR-RES cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 200 nM after 72 hrs by MTT assay (Rvb = 3714.80 +/- 383.58 nM)
50048065	1	ChEMBL_1625486 (CHEMBL3867955)	Inhibition of human recombinant GST-tagged CDC25B assessed as reduction in dephosphorylation of florigenic phosphatase substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay
50048065	2	ChEMBL_1625487 (CHEMBL3867956)	Inhibition of PTP1B (unknown origin)
50048065	3	ChEMBL_1625484 (CHEMBL3867953)	Inhibition of human recombinant GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21-Conden plus (DE3) using pNPP as substrate
50048066	1	ChEMBL_1625594 (CHEMBL3868063)	Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by substrate addition after 30 mins by HTRF assay
50048066	2	ChEMBL_1625595 (CHEMBL3868064)	Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by substrate addition after 30 mins by HTRF assay
50048066	3	ChEMBL_1625597 (CHEMBL3868066)	Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth
50048066	4	ChEMBL_1625601 (CHEMBL3868070)	Inhibition of SYK (unknown origin)
50048066	5	ChEMBL_1625599 (CHEMBL3868068)	Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth
50048067	1	ChEMBL_1625603 (CHEMBL3868072)	Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubated for 60 mins followed by substrate addition measured after 4 hrs by Topcount method
50048067	2	ChEMBL_1625604 (CHEMBL3868073)	Inhibition of recombinant CYP11B1 (unknown origin) overexpressed in human AD293 cells assessed as reduction in cortisol formation preincubated for 60 mins followed by addition of 11-deoxycortisol as substrate measured after 12 hrs by LC-MS/MS analysis
50048067	3	ChEMBL_1625605 (CHEMBL3868074)	Inhibition of recombinant CYP21 (unknown origin) overexpressed in human AD293 cells assessed as reduction in 11-deoxycortisol formation preincubated for 60 mins followed by addition of 17-alpha-hydroxyprogesterone as substrate measured after 45 mins by LC-MS/MS analysis
50048067	4	ChEMBL_1625606 (CHEMBL3868075)	Inhibition of Cyp19 (unknown origin)
50048067	5	ChEMBL_1625607 (CHEMBL3868076)	Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis
50048068	1	ChEMBL_1625688 (CHEMBL3868157)	Inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50048068	2	ChEMBL_1625690 (CHEMBL3868159)	Non-competitive inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by Lineweaver-Burk plot analysis
50048069	1	ChEMBL_1625692 (CHEMBL3868161)	Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduction in PMA-stimulated TRE-LacZ activity after 24 hrs in presence of MUG by fluorometric assay
50048069	2	ChEBML_1625700	Binding affinity to PR (unknown origin) by FP assay
50048069	3	ChEBML_1625701	Binding affinity to AR (unknown origin) by FP assay
50048069	4	ChEBML_1625702	Displacement of 3H-aldosterone from MR (unknown origin) ligand binding domain by SPA assay
50048069	5	ChEBML_1625703	Binding affinity to ERalpha (unknown origin) by FP assay
50048069	6	ChEBML_1625704	Binding affinity to ERbeta (unknown origin) by FP assay
50048069	7	ChEBML_1625692	Agonist activity at glucocorticoid receptor in human ChaGoK1 cells assessed as inhibition of AP1-mediated transcriptional activity by measuring reduction in PMA-stimulated TRE-LacZ activity after 24 hrs in presence of MUG by fluorometric assay
50048069	8	ChEMBL_1625691 (CHEMBL3868160)	Binding affinity to GR (unknown origin) by FP assay
50048069	9	ChEMBL_1625703 (CHEMBL3868172)	Binding affinity to ERalpha (unknown origin) by FP assay
50048069	10	ChEMBL_1625704 (CHEMBL3868173)	Binding affinity to ERbeta (unknown origin) by FP assay
50048069	11	ChEMBL_1625701 (CHEMBL3868170)	Binding affinity to AR (unknown origin) by FP assay
50048069	12	ChEMBL_1625702 (CHEMBL3868171)	Displacement of 3H-aldosterone from MR (unknown origin) ligand binding domain by SPA assay
50048069	13	ChEMBL_1625700 (CHEMBL3868169)	Binding affinity to PR (unknown origin) by FP assay
50048070	1	ChEMBL_1625725 (CHEMBL3868194)	Inhibition of RET (unknown origin) using poly[Glu:Tyr] (4:1) as substrate after 60 mins by ELISA
50048070	2	ChEMBL_1625726 (CHEMBL3868195)	Inhibition of CCDC6/RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation after 72 hrs by MTT assay
50048071	1	ChEMBL_1625735 (CHEMBL3868204)	Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assay
50048071	2	ChEMBL_1625741 (CHEMBL3868210)	Activity at GAL4 DBD-fused LXRbeta LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assay
50048071	3	ChEMBL_1625734 (CHEMBL3868203)	Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay
50048071	4	ChEMBL_1625743 (CHEMBL3868212)	Activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay
50048071	5	ChEMBL_1625737 (CHEMBL3868206)	Inverse agonist activity at GAL4 DBD-fused RORalpha LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay
50048071	6	ChEMBL_1625739 (CHEMBL3868208)	Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL-17A release after 4 days by HTRF assay
50048071	7	ChEMBL_1625742 (CHEMBL3868211)	Activity at 24 hydroxylase-fused VDR in human HG5LN cells after 18 hrs by luciferase reporter gene assay
50048072	1	ChEMBL_1625785 (CHEMBL3868254)	Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate in presence of gamma-33P-ATP
50048073	1	ChEMBL_1625789 (CHEMBL3868258)	Agonist activity at human GPR120 expressed in CHOK1 cells measured after 60 mins by IP1-HTRF assay
50048073	2	ChEMBL_1625791 (CHEMBL3868260)	Agonist activity at mouse GPR120 expressed in CHOK1 cells measured after 60 mins by IP1-HTRF assay
50048073	3	ChEMBL_1625793 (CHEMBL3868262)	Agonist activity at human GPR40 measured after 60 mins by IP1-HTRF assay
50048073	4	ChEMBL_1625796 (CHEMBL3868265)	Inhibition of Nav1.5 (unknown origin)
50048073	5	ChEMBL_1625799 (CHEMBL3868268)	Inhibition of CYP2D6 (unknown origin)
50048073	6	ChEMBL_1625797 (CHEMBL3868266)	Inhibition of human ERG
50048073	7	ChEMBL_1625798 (CHEMBL3868267)	Inhibition of CYP3A4 (unknown origin)
50048073	8	ChEMBL_1625795 (CHEMBL3868264)	Inhibition of Cav1.2 (unknown origin)
50048073	9	ChEMBL_1625800 (CHEMBL3868269)	Inhibition of CYP2C9 (unknown origin)
50048074	1	ChEMBL_1625825 (CHEMBL3868294)	Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay
50048074	2	ChEMBL_1625826 (CHEMBL3868295)	Inhibition of PI3K-beta (unknown origin) by KinaseGlo assay
50048074	3	ChEMBL_1625830 (CHEMBL3868299)	Inhibition of myristoylated PI3K-beta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation
50048074	4	ChEMBL_1625829 (CHEMBL3868298)	Inhibition of myristoylated PI3K-alpha (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation
50048074	5	ChEMBL_1625827 (CHEMBL3868296)	Inhibition of PI3K-gamma (unknown origin) by KinaseGlo assay
50048074	6	ChEMBL_1625832 (CHEMBL3868301)	Inhibition of PI3K-delta in mouse splenocytes assessed as inhibition anti-IgM induced CD86 expression
50048074	7	ChEMBL_1625831 (CHEMBL3868300)	Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation
50048074	8	ChEMBL_1625828 (CHEMBL3868297)	Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay
50048075	1	ChEMBL_1625840 (CHEMBL3868309)	Inhibition of BACE1 (unknown origin)
50048075	2	ChEMBL_1625839 (CHEMBL3868308)	Inhibition of human recombinant BACE1 by FRET assay
50048075	3	ChEMBL_1625848 (CHEMBL3868317)	Inhibition of human recombinant BACE1 using MBP-C125Swe as substrate
50048076	1	ChEMBL_1625849 (CHEMBL3868318)	Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation with [3H]-epibatine
50048076	2	ChEMBL_1625853 (CHEMBL3868322)	Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain
50048076	3	ChEMBL_1625850 (CHEMBL3868319)	Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubation with [3H]-epibatine by liquid scintillation counting analysis
50048076	4	ChEMBL_1625852 (CHEMBL3868321)	Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain membranes incubated for 60 mins
50048077	1	ChEMBL_1625870 (CHEMBL3868339)	Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 receptor expressed on CHO cell membrane measured after 3 hrs by TopCount method
50048077	2	ChEMBL_1625903 (CHEMBL3868372)	Displacement of N6,10-rhodamine green-tagged orexin-A from human OX1 receptor expressed in CHO cells measured after 30 mins by syto62 staining based laser scanning cytometry
50048077	3	ChEMBL_1625868 (CHEMBL3868337)	Antagonist activity at rat OX1 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,12 orexin-A addition measured at 1 sec intervals for 1 min by Fluo-4AM dye-based FLIPR assay
50048077	4	ChEMBL_1625855 (CHEMBL3868324)	Antagonist activity at rat OX2 receptor assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,12 orexin-A addition measured at 1 sec intervals for 1 min by Fluo-4AM dye-based FLIPR assay
50048077	5	ChEMBL_1625905 (CHEMBL3868374)	Binding affinity to human OX2 receptor expressed in CHO cells by fluorescence assay
50048077	6	ChEMBL_1625873 (CHEMBL3868342)	Antagonist activity at human OX2 receptor expressed on CHO cell membrane assessed as inhibition of Ala-6,12 orexin-A-induced calcium increase preincubated for 5 mins prior to Ala-6,12 orexin-A addition measured at 1 sec intervals for 1 min by Fluo-4AM dye-based FLIPR assay
50048077	7	ChEMBL_1625892 (CHEMBL3868361)	Binding affinity to OX1 receptor (unknown origin)
50048078	1	ChEMBL_1625935 (CHEMBL3868404)	Inhibition of recombinant human AMPA-activated MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	2	ChEMBL_1625938 (CHEMBL3868407)	Inhibition of recombinant human TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	3	ChEMBL_1625937 (CHEMBL3868406)	Inhibition of recombinant human GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	4	ChEMBL_1625929 (CHEMBL3868398)	Inhibition of recombinant human AMPA-activated MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	5	ChEMBL_1625934 (CHEMBL3868403)	Inhibition of recombinant human AMPA-activated MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	6	ChEMBL_1625930 (CHEMBL3868399)	Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	7	ChEMBL_1625933 (CHEMBL3868402)	Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	8	ChEMBL_1625928 (CHEMBL3868397)	Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	9	ChEMBL_1625931 (CHEMBL3868400)	Inhibition of recombinant human AMPA-activated MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	10	ChEMBL_1625936 (CHEMBL3868405)	Inhibition of recombinant human AMPA-activated MMP12 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50048078	11	ChEMBL_1625932 (CHEMBL3868401)	Inhibition of recombinant human AMPA-activated MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method
50030568	1	ChEMBL_587475 (CHEMBL1043909)	Inhibition of human recombinant aromatase
50030569	1	ChEMBL_587357 (CHEMBL1042219)	Inhibition of mushroom tyrosinase after 30 mins
50030569	2	ChEMBL_587358 (CHEMBL1042220)	Inhibition of mushroom tyrosinase after 90 mins
50030570	1	ChEMBL_587528 (CHEMBL1044866)	Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay
50030570	2	ChEMBL_587527 (CHEMBL1043961)	Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay
50030570	3	ChEMBL_587531 (CHEMBL1044869)	Binding affinity to human full length ERbeta receptor
50030570	4	ChEMBL_587530 (CHEMBL1044868)	Binding affinity to human full length ERalpha receptor
50030571	1	ChEMBL_588425 (CHEMBL1039465)	Inhibition of Saccharomyces cerevisiae protein farnesyltransferase assessed as farnesylation of N-dansyl-GCVIA
50030572	2	ChEMBL_588448 (CHEMBL1040346)	Inhibition of MMP2
50030573	1	ChEMBL_588454 (CHEMBL1040352)	Inhibition of decatenation activity of human topoisomerase 2alpha
50030574	1	ChEMBL_588465 (CHEMBL1040363)	Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester after 24 hrs
50030575	1	ChEMBL_588489 (CHEMBL1040387)	Displacement of [3H]Mesulergine from human recombinant serotonin 5-HT2C expressed in CHO-K1 cells
50030575	2	ChEMBL_588490 (CHEMBL1040388)	Binding affinity to 5-HT2C receptor
50030576	1	ChEMBL_588495 (CHEMBL1041235)	Inhibition of human telomerase in A549 cells by TRAP assay
50048079	1	ChEMBL_1625978 (CHEMBL3868447)	Agonist activity at human GPR40 expressed in CHO cells coexpressing NFAT BLA assessed as increase in intracellular Ca2+ flux by fluo-4-AM dye based FLIPR assay
50048079	2	ChEMBL_1625958 (CHEMBL3868427)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by calcium-4 dye based FLIPR assay
50048079	3	ChEMBL_1625981 (CHEMBL3868450)	Agonist activity at GPR40 (unknown origin) by calcium flux assay
50048079	4	ChEBML_1625981	Agonist activity at GPR40 (unknown origin) by calcium flux assay
50048079	8	ChEMBL_1625977 (CHEMBL3868446)	Agonist activity at flag-tagged human GPR40 expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by FLIPR assay
50048079	7	ChEBML_1625963	Agonist activity at rat GPR40 expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4-AM dye based FLIPR assay
50048079	5	ChEMBL_1625957 (CHEMBL3868426)	Agonist activity at full length recombinant human GPR40 expressed in CHOK1 cells assessed as intracellular IP3 accumulation by fluorescence assay
50030578	1	ChEMBL_587670 (CHEMBL1049240)	Inhibition of renin by fluorimetric assay
50030579	1	ChEMBL_587672 (CHEMBL1049242)	Inhibition of Wistar rat brain homogenate AChE by Ellman's assay
50030579	2	ChEMBL_587673 (CHEMBL1049243)	Inhibition of human serum AChE by Ellman's assay
50030579	3	ChEMBL_587674 (CHEMBL1049244)	Inhibition of electric eel AChE by Ellman's method
50030580	1	ChEMBL_587680 (CHEMBL1049250)	Inhibition of Akt
50030581	1	ChEMBL_587689 (CHEMBL1037703)	Inhibition of PDE4B
50030582	1	ChEMBL_587693 (CHEMBL1037707)	Inhibition of human placental aromatase assessed as conversion of [1-beta-3H]androstenedione to [1beta-3H]estrone after 20 mins by liquid scintillation counting
50030582	2	ChEMBL_587696 (CHEMBL1037710)	Competitive inhibition of human placental aromatase by Lineweaver-Burke plot analysis
50030583	1	ChEMBL_587704 (CHEMBL1037718)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells
50030583	2	ChEMBL_587703 (CHEMBL1037717)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50030583	3	ChEMBL_587702 (CHEMBL1037716)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50030583	4	ChEMBL_587705 (CHEMBL1037719)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity
50030584	1	ChEMBL_587736 (CHEMBL1038572)	Inhibition of beta-galactosidase
50048079	6	ChEBML_1625961	Agonist activity at human GPR40 expressed in CHOK cells assessed as increase in intracellular Ca2+ flux by Fluo-4 based assay
50048080	1	ChEBML_1625988	Inhibition of CYP2C9 in human liver microsomes after 30 secs by LC/MS/MS analysis
50048080	3	ChEMBL_1625989 (CHEMBL3868458)	Inhibition of CYP2D6 in human liver microsomes after 30 secs by LC/MS/MS analysis
50048080	5	ChEMBL_1625988 (CHEMBL3868457)	Inhibition of CYP2C9 in human liver microsomes after 30 secs by LC/MS/MS analysis
50048080	2	ChEMBL_1625987 (CHEMBL3868456)	Inhibition of CYP3A4 in human liver microsomes after 30 secs by LC/MS/MS analysis
50048080	4	ChEMBL_1625990 (CHEMBL3868459)	Inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins after 30 secs by LC/MS/MS analysis
50048081	1	ChEMBL_1626008 (CHEMBL3868477)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig cerebral cortex membranes after 120 mins by scintillation counting analysis
50048082	1	ChEBML_1626011	Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr in presence of NADPH by fluorescence assay
50048082	2	ChEMBL_1626011 (CHEMBL3868480)	Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr in presence of NADPH by fluorescence assay
50030586	1	ChEMBL_587744 (CHEMBL1040395)	Inhibition of BChE in human serum assessed as hydrolysis of butyrylthiocholine by Ellman's method
50030587	1	ChEMBL_587760 (CHEMBL1040411)	Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells
50030589	1	ChEMBL_587815 (CHEMBL1043093)	Binding affinity to human neuropeptide Y5 receptor
50030590	1	ChEMBL_587912 (CHEMBL1046585)	Inhibition of FAAH in Wistar rat brain assessed as by liquid scintillation counting
50030591	1	ChEMBL_587932 (CHEMBL1046605)	Antagonist activity at human LXRalpha expressed in HEK293 cells assessed as inhibition of beta-galactosidase activity by luciferase reporter gene assay
50030592	1	ChEMBL_587973 (CHEMBL1038616)	Displacement of [3H]raclopride from dopamine D2 receptor in Wistar rat striatal membrane by liquid scintillation counting
50030593	2	ChEMBL_588011 (CHEMBL1048346)	Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluorometric assay
50030593	6	ChEMBL_588015 (CHEMBL1048350)	Binding affinity at rat P2X7 receptor
50030593	7	ChEMBL_588016 (CHEMBL1048351)	Binding affinity at mouse P2X7 receptor
50030594	1	ChEMBL_588021 (CHEMBL1048356)	Inhibition of bovine pancreatic RNase A by spectrophotometric assay
50030595	1	ChEMBL_588029 (CHEMBL1048364)	Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay
50030596	1	ChEMBL_588038 (CHEMBL1041290)	Inhibition of mushroom tyrosinase
50048083	1	ChEMBL_1626044 (CHEMBL3868513)	Agonist activity at human LXR-beta expressed in African green monkey CV1 cells measured after 18 to 20 hrs by luciferase reporter gene assay
50048083	2	ChEMBL_1626051 (CHEMBL3868520)	Agonist activity at LXR-beta in human whole blood assessed as ABCA1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based Q-PCR analysis
50048083	3	ChEMBL_1626049 (CHEMBL3868518)	Agonist activity at human LXR-alpha expressed in African green monkey CV1 cells measured after 18 to 20 hrs by luciferase reporter gene assay
50048083	4	ChEMBL_1626045 (CHEMBL3868514)	Displacement of [3H]-24,25-epoxycholesterol from human LXRbeta/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analysis
50048083	5	ChEMBL_1626048 (CHEMBL3868517)	Agonist activity at LXR-beta in human HeLa cells assessed as induction of ABCA1 by beta-galactosidase/luciferase reporter gene assay
50048083	6	ChEMBL_1626046 (CHEMBL3868515)	Displacement of [3H]-24,25-epoxycholesterol from human LXRalpha/RXRalpha expressed in baculovirus infected Sf9 cells by scintillation proximity analysis
50030598	1	ChEMBL_588095 (CHEMBL1044821)	Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as substrate
50030598	2	ChEMBL_588096 (CHEMBL1044822)	Inhibition of human DHFR assessed as rate of NADPH consumption using dihydrofolate as substrate
50030599	1	ChEMBL_588102 (CHEMBL1044828)	Displacement of [3H]DSLET from delta opioid receptor in rat brain by liquid scintillation counting
50030599	2	ChEMBL_588100 (CHEMBL1044826)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain by liquid scintillation counting
50030599	3	ChEMBL_588101 (CHEMBL1044827)	Displacement of [3H]U69593 from guinea pig kappa opioid receptor by liquid scintillation counting
50030600	1	ChEMBL_588105 (CHEMBL1044831)	Inhibition of stearoyl-CoA delta9 desaturase in rat microsome
50030600	2	ChEMBL_588106 (CHEMBL1044832)	Inhibition of stearoyl-CoA delta9 desaturase in human HepG2 cells
50030600	3	ChEMBL_588118 (CHEMBL1044844)	Inhibition of stearoyl-CoA delta5 desaturase in rat microsome
50030600	4	ChEMBL_588119 (CHEMBL1044845)	Inhibition of stearoyl-CoA delta6 desaturase in rat microsome
50030601	1	ChEMBL_588133 (CHEMBL1044859)	Binding affinity to pig dopamine D1 receptor
50030601	2	ChEMBL_588134 (CHEMBL1044860)	Binding affinity to human cloned dopamine D2-long expressed in CHO cells
50030601	3	ChEMBL_588135 (CHEMBL1044861)	Binding affinity to human cloned dopamine D2-short expressed in CHO cells
50030601	4	ChEMBL_588136 (CHEMBL1044862)	Binding affinity to human cloned dopamine D3 expressed in CHO cells
50048083	7	ChEMBL_1626059 (CHEMBL3868528)	Agonist activity at human PXR expressed in human HepG2 cells assessed as induction of CYP3A4 measured after 24 hrs by AlamarBlue dye-based luciferase reporter gene assay
50048083	8	ChEMBL_1626062 (CHEMBL3868531)	Antagonist activity at human LXR-alpha expressed in African green monkey CV1 cells measured after 18 to 20 hrs in presence of LXR pan agonist 1-(2,4-difluorobenzyl)-2-oxo-6-(4-phenoxyphenyl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile by luciferase reporter gene assay
50048083	9	ChEMBL_1626090 (CHEMBL3868559)	Agonist activity at LXR-beta in human whole blood assessed as ABCG1 gene induction by measuring ABCA1 mRNA level after 4 hrs by SYBR-Green dye-based Q-PCR analysis
50048084	1	ChEMBL_1626126 (CHEMBL3868647)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins followed by substrate addition by Ellman's method
50048084	2	ChEMBL_1626123 (CHEMBL3868644)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins followed by substrate addition by Ellman's method
50048084	3	ChEMBL_1626142 (CHEMBL3868663)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis
50048085	1	ChEMBL_1626251 (CHEMBL3868772)	Inhibition of PI3Kalpha (unknown origin) using diC8 PIP2 as substrate after 80 mins by ADP-glo assay
50048085	2	ChEMBL_1626248 (CHEMBL3868769)	Inhibition of PI3Kbeta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method
50048085	3	ChEMBL_1626238 (CHEMBL3868759)	Inhibition of mTOR (unknown origin) expressed in baculovirus after 60 mins by kinase-glo assay
50048085	4	ChEMBL_1626253 (CHEMBL3868774)	Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate after 120 mins by ADP-glo assay
50048085	5	ChEMBL_1626254 (CHEMBL3868775)	Inhibition of PI3Kgamma (unknown origin) using diC8 PIP2 as substrate after 75 mins by ADP-glo assay
50048085	6	ChEMBL_1626252 (CHEMBL3868773)	Inhibition of PI3Kbeta (unknown origin) using diC8 PIP2 as substrate after 60 mins by ADP-glo assay
50048085	7	ChEMBL_1626234 (CHEMBL3868755)	Inhibition of PI3Kalpha/p85 iSH2 domain (unknown origin) expressed in baculovirus using l-alpha-phosphatidylinositol as substrate after 60 mins by kinase-glo assay
50048085	8	ChEMBL_1626237 (CHEMBL3868758)	Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by kinase-glo assay
50030603	1	ChEMBL_588198 (CHEMBL1050089)	Induction of poison effect at DNA topoisomerase 2 by G-quadruplex interaction polymerase stop assay
50030604	1	ChEMBL_588224 (CHEMBL1043978)	Inhibition of C-terminal V5-epitope-tagged human ELOVL6 expressed in african green monkey COS7 cells
50030604	2	ChEMBL_588227 (CHEMBL1043981)	Inhibition of C-terminal V5-epitope-tagged human ELOVL1 expressed in african green monkey COS7 cells
50030604	3	ChEMBL_588228 (CHEMBL1043982)	Inhibition of C-terminal V5-epitope-tagged human ELOVL2 expressed in african green monkey COS7 cells
50030604	4	ChEMBL_588229 (CHEMBL1043983)	Inhibition of C-terminal V5-epitope-tagged human ELOVL3 expressed in african green monkey COS7 cells
50030604	5	ChEMBL_588230 (CHEMBL1043984)	Inhibition of C-terminal V5-epitope-tagged human ELOVL5 expressed in african green monkey COS7 cells
50030604	6	ChEMBL_588231 (CHEMBL1043985)	Inhibition of C-terminal V5-epitope-tagged mouse ELOVL6 expressed in african green monkey COS7 cells
50030604	7	ChEMBL_588232 (CHEMBL1043986)	Inhibition of C-terminal V5-epitope-tagged mouse ELOVL3 expressed in african green monkey COS7 cells
50030605	1	ChEMBL_588255 (CHEMBL1050912)	Inhibition of Plasmodium falciparum plasmepsin-2 expressed in Escherichia coli BL21 (DE3) by fluorometric assay
50030605	2	ChEMBL_588259 (CHEMBL1050916)	Inhibition of Plasmodium vivax plasmepsin-4 expressed in Escherichia coli BL21 (DE3) by fluorometric assay
50030605	3	ChEMBL_588260 (CHEMBL1050917)	Inhibition of human liver cathepsin D
50030605	4	ChEMBL_588270 (CHEMBL1050927)	Inhibition of Plasmodium falciparum plasmepsin-2
50030605	5	ChEMBL_588271 (CHEMBL1050928)	Inhibition of Plasmodium falciparum plasmepsin-1
50030605	6	ChEMBL_588273 (CHEMBL1050930)	Inhibition of Plasmodium falciparum histo-aspartyl protease
50030606	1	ChEMBL_591572 (CHEMBL1042325)	Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells
50030606	2	ChEMBL_591576 (CHEMBL1042329)	Displacement of [3H]N-alpha-methylhistamine from mouse brain histamine H3 receptor
50030607	1	ChEMBL_591601 (CHEMBL1042354)	Inhibition of trypsin activated human pro-MMP3 after 4 hrs by fluorimetry
50030607	2	ChEMBL_591604 (CHEMBL1042357)	Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP13 after 4 hrs by fluorimetry
50030607	3	ChEMBL_591598 (CHEMBL1042351)	Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry
50030607	4	ChEMBL_591606 (CHEMBL1042359)	Inhibition of human recombinant pro-MMP16 catalytic domain after 4 hrs by fluorimetry
50030607	6	ChEMBL_591602 (CHEMBL1042355)	Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP2 catalytic domain after 4 hrs by fluorimetry
50030607	7	ChEMBL_591600 (CHEMBL1042353)	Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP8 after 4 hrs by fluorimetry
50048085	9	ChEMBL_1626249 (CHEMBL3868770)	Inhibition of PI3Kgamma (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method
50048085	10	ChEMBL_1626246 (CHEMBL3868767)	Inhibition of human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by aplhascreen assay
50048085	11	ChEMBL_1626243 (CHEMBL3868764)	Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by aplhascreen assay
50048085	12	ChEMBL_1626239 (CHEMBL3868760)	Inhibition of PI3Kalpha (unknown origin)
50048085	13	ChEMBL_1626236 (CHEMBL3868757)	Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 120 mins by kinase-glo assay
50048085	14	ChEMBL_1626235 (CHEMBL3868756)	Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus co-expressing p85 using l-alpha-phosphatidylinositol as substrate after 60 mins by kinase-glo assay
50048085	15	ChEMBL_1626250 (CHEMBL3868771)	Inhibition of PI3Kdelta (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method
50048085	16	ChEMBL_1626245 (CHEMBL3868766)	Inhibition of human recombinant PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by aplhascreen assay
50048085	17	ChEMBL_1626242 (CHEMBL3868763)	Inhibition of PI3Kdelta (unknown origin)
50048085	18	ChEMBL_1626244 (CHEMBL3868765)	Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by aplhascreen assay
50030607	9	ChEMBL_591603 (CHEMBL1042356)	Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP1 after 4 hrs by fluorimetry
50048085	19	ChEMBL_1626247 (CHEMBL3868768)	Inhibition of PI3Kalpha (unknown origin) using PI:PS as substrate after 2 hrs in presence of [33P]ATP by liquid scintillation counting method
50048085	20	ChEMBL_1626240 (CHEMBL3868761)	Inhibition of PI3Kbeta (unknown origin)
50048085	21	ChEMBL_1626241 (CHEMBL3868762)	Inhibition of PI3Kgamma (unknown origin)
50048086	1	ChEMBL_1626383 (CHEMBL3868904)	Inhibition of NF-kappa-B p65 in human THP1 cells assessed as suppression of LPS-induced TNFalpha release preincubated for 3 hrs followed by LPS stimulation by ELISA
50030607	10	ChEMBL_591609 (CHEMBL1042362)	Inhibition of autoactivated human pro-MMP12 after 30 mins preincubation by fluorimetry
50048087	1	ChEMBL_1626873 (CHEMBL3869394)	Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 10 mins followed by substrate addition measured after 20 mins by UV-Vis spectrophotometric analysis
50048087	2	ChEMBL_1626872 (CHEMBL3869393)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition measured after 20 mins by UV-Vis spectrophotometric analysis
50030608	1	ChEMBL_591611 (CHEMBL1042364)	Inhibition of human recombinant GSK3-beta
50030608	2	ChEMBL_591785 (CHEMBL1038774)	Inhibition of C-terminal 6xHis-tagged CDK1 by [gamma-33-P]ATP based assay
50030608	3	ChEMBL_591786 (CHEMBL1038775)	Inhibition of C-terminal 6xHis-tagged CDK2 by [gamma-33-P]ATP based assay
50030608	4	ChEMBL_591787 (CHEMBL1038776)	Inhibition of CDK5 by [gamma-33-P]ATP based assay
50030608	6	ChEMBL_591789 (CHEMBL1038778)	Inhibition of N-terminal FLAG-tagged p38alpha by [gamma-33-P]ATP based assay
50030608	7	ChEMBL_591790 (CHEMBL1041530)	Inhibition of N-terminal FLAG-tagged JNK1 by [gamma-33-P]ATP based assay
50030608	8	ChEMBL_591791 (CHEMBL1041531)	Inhibition of C-terminal FLAG-tagged MEKK1 by [gamma-33-P]ATP based assay
50030608	9	ChEMBL_591803 (CHEMBL1041543)	Inhibition of Src by [gamma-33-P]ATP based assay
50030608	11	ChEMBL_591805 (CHEMBL1041545)	Inhibition of Lck by [gamma-33-P]ATP based assay
50030608	12	ChEMBL_591806 (CHEMBL1041546)	Inhibition of N-terminal FLAG-tagged VEGFR2 by [gamma-33-P]ATP based assay
50030608	13	ChEMBL_591792 (CHEMBL1041532)	Inhibition of C-terminal FLAG-tagged IKK-beta by [gamma-33-P]ATP based assay
50030608	14	ChEMBL_591793 (CHEMBL1041533)	Inhibition of N-terminal FLAG-tagged PKCtheta by [gamma-33-P]ATP based assay
50030608	15	ChEMBL_591794 (CHEMBL1041534)	Inhibition of N-terminal FLAG-tagged CK1delta by [gamma-33-P]ATP based assay
50030608	16	ChEMBL_591795 (CHEMBL1041535)	Inhibition of N-terminal peptide-tagged EGFR cytoplasmic domain by [gamma-33-P]ATP based assay
50030608	17	ChEMBL_591796 (CHEMBL1041536)	Inhibition of N-terminal peptide-tagged ERBB2 cytoplasmic domain by [gamma-33-P]ATP based assay
50030608	18	ChEMBL_591797 (CHEMBL1041537)	Inhibition of FGFR3 by [gamma-33-P]ATP based assay
50030608	19	ChEMBL_591798 (CHEMBL1041538)	Inhibition of PDGFRalpha by [gamma-33-P]ATP based assay
50030608	20	ChEMBL_591799 (CHEMBL1041539)	Inhibition of PDGFRbeta by [gamma-33-P]ATP based assay
50030608	21	ChEMBL_591800 (CHEMBL1041540)	Inhibition of TIE2 by [gamma-33-P]ATP based assay
50030608	22	ChEMBL_591801 (CHEMBL1041541)	Inhibition of c-Met by [gamma-33-P]ATP based assay
50030608	23	ChEMBL_591802 (CHEMBL1041542)	Inhibition of c-Kit by [gamma-33-P]ATP based assay
50048088	1	ChEMBL_1626901 (CHEMBL3869422)	Inhibition of bovine liver beta-galactosidase using p-nitrophenyl-glycoside as substrate by spectrophotometric method
50030611	1	ChEMBL_591852 (CHEMBL1045056)	Inhibition of human PHD2 catalytic domain (181-426) by FRET assay
50048089	1	ChEMBL_1626934 (CHEMBL3869455)	Inhibition of microtubule-stimulated kinesin spindle protein motor domain (unknown origin) ATPase activity preincubated for 20 mins followed by ATP addition measured after 15 mins by kinase-glo based luciferase reporter gene assay
50048090	1	ChEMBL_1626987 (CHEMBL3869508)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as stimulation of cAMP level measured after 60 mins by HTRF assay
50030613	1	ChEMBL_592083 (CHEMBL1038652)	Inhibition of PTP1B
50030613	2	ChEMBL_592084 (CHEMBL1038653)	Inhibition of TC-PTP
50030613	3	ChEMBL_592085 (CHEMBL1038654)	Inhibition of SHP1 catalytic domain expressed in Escherichia coli
50030613	4	ChEMBL_592086 (CHEMBL1038655)	Inhibition of membrane proximal catalytic domain of LAR
50030614	1	ChEMBL_592339 (CHEMBL1048465)	Inhibition of adrenergic beta-1 receptor
50030614	2	ChEMBL_592338 (CHEMBL1048464)	Inhibition of adrenergic Alpha-2C receptor
50030614	3	ChEMBL_592337 (CHEMBL1048463)	Inhibition of adrenergic alpha2A receptor
50030614	4	ChEMBL_592334 (CHEMBL1046709)	Inhibition of dopamine D3 receptor
50030614	5	ChEMBL_592333 (CHEMBL1046708)	Inhibition of dopamine D2 receptor
50030614	6	ChEMBL_592332 (CHEMBL1046707)	Inhibition of dopamine D1 receptor
50030614	7	ChEMBL_592331 (CHEMBL1046706)	Inhibition of 5HT7 receptor
50030614	8	ChEMBL_592330 (CHEMBL1046705)	Inhibition of 5HT6 receptor
50030614	9	ChEMBL_592329 (CHEMBL1046704)	Inhibition of 5HT2C receptor
50030614	10	ChEMBL_592328 (CHEMBL1046703)	Inhibition of 5HT2B receptor
50030614	11	ChEMBL_592327 (CHEMBL1046702)	Inhibition of 5HT2A receptor
50030614	12	ChEMBL_592326 (CHEMBL1046701)	Inhibition of 5HT1A receptor
50030614	13	ChEMBL_592317 (CHEMBL1046692)	Inhibition of human ERG
50030614	14	ChEMBL_592316 (CHEMBL1046691)	Inhibition of CYP3A4
50030614	15	ChEMBL_592315 (CHEMBL1046690)	Inhibition of CYP2D6
50030614	16	ChEMBL_592314 (CHEMBL1046689)	Inhibition of CYP2C19
50030614	17	ChEMBL_592312 (CHEMBL1046687)	Inhibition of CYP1A2
50030614	18	ChEMBL_592313 (CHEMBL1046688)	Inhibition of CYP2C9
50030614	19	ChEMBL_592311 (CHEMBL1046686)	Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced cell migration by flow cytometry
50030614	20	ChEMBL_592309 (CHEMBL1046684)	Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay
50030614	21	ChEMBL_592310 (CHEMBL1046685)	Antagonist activity at mouse CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay
50030614	22	ChEMBL_592308 (CHEMBL1046683)	Displacement of [125I]I-TAC from mouse CXCR3 expressed in CHO cells by scintillation proximity assay
50030614	23	ChEMBL_592307 (CHEMBL1046682)	Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay
50030615	1	ChEMBL_592355 (CHEMBL1048481)	Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay
50030615	2	ChEMBL_592356 (CHEMBL1048482)	Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by Western blotting
50030616	1	ChEMBL_592535 (CHEMBL1046742)	Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins
50030616	2	ChEMBL_592536 (CHEMBL1046743)	Displacement of [3H]prazosin from adrenergic Alpha-1B receptor in Wistar rat liver membrane after 60 mins
50030616	3	ChEMBL_592538 (CHEMBL1046745)	Displacement of [3H]MK9112 from human recombinant adrenergic alpha2A receptor expressed in insect Sf9 cells after 60 mins
50030616	4	ChEMBL_592543 (CHEMBL1046750)	Displacement of radioligand from human adrenergic Alpha-2C receptor after 60 mins
50030617	1	ChEMBL_592546 (CHEMBL1046753)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50030617	2	ChEMBL_592545 (CHEMBL1046752)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting
50030617	3	ChEMBL_592544 (CHEMBL1046751)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells after 1 hr by liquid scintillation counting
50030617	4	ChEMBL_592550 (CHEMBL1046757)	Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50030617	5	ChEMBL_592554 (CHEMBL1046761)	Binding affinity to rat delta opioid receptor expressed in rat C6 cells
50030617	6	ChEMBL_592556 (CHEMBL1046763)	Agonist activity at rat delta opioid receptor expressed in rat C6 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by radioimmunoassay
50030617	7	ChEMBL_592551 (CHEMBL1046758)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50030618	2	ChEMBL_592564 (CHEMBL1046771)	Inhibition of EphA2 by [gamma33-P]ATP based assay
50030618	3	ChEMBL_592565 (CHEMBL1046772)	Inhibition of EphA3 by [gamma33-P]ATP based assay
50030618	4	ChEMBL_592566 (CHEMBL1046773)	Inhibition of EphA4 by [gamma33-P]ATP based assay
50030618	5	ChEMBL_592567 (CHEMBL1046774)	Inhibition of EphA5 by [gamma33-P]ATP based assay
50030618	6	ChEMBL_592568 (CHEMBL1046775)	Inhibition of EphA7 by [gamma33-P]ATP based assay
50030618	7	ChEMBL_592569 (CHEMBL1046776)	Inhibition of EphA8 by [gamma33-P]ATP based assay
50030618	8	ChEMBL_592570 (CHEMBL1046777)	Inhibition of EphB1 by [gamma33-P]ATP based assay
50030618	9	ChEMBL_592571 (CHEMBL1046778)	Inhibition of EphB2 by [gamma33-P]ATP based assay
50030618	10	ChEMBL_592572 (CHEMBL1046779)	Inhibition of EphB3 by [gamma33-P]ATP based assay
50030618	12	ChEMBL_592560 (CHEMBL1046767)	Inhibition of EphB4 assessed as blockade of synthetic substrate phosphorylation by FRET assay
50048091	1	ChEMBL_1626999 (CHEMBL3869520)	Displacement of [3H]DPCPX from adenosine receptor A1 in Sprague-Dawley rat whole brain membranes after 60 mins in presence of GTP by liquid scintillation counting method
50048091	2	ChEMBL_1626998 (CHEMBL3869519)	Displacement of [3H]NECA from adenosine receptor A2A in Sprague-Dawley rat striatal membranes after 60 mins by liquid scintillation counting
50048091	3	ChEMBL_1626997 (CHEMBL3869518)	Displacement of [3H]DPCPX from adenosine receptor A1 in Sprague-Dawley rat whole brain cell membranes after 60 mins by liquid scintillation counting
50048091	4	ChEMBL_1626995 (CHEMBL3869516)	Displacement of [3H]cyclohexyladenosine from adenosine receptor A1 in rat cerebral cortical membranes
50048091	5	ChEMBL_1627003 (CHEMBL3869524)	Displacement of [3H]R-PIA from adenosine receptor A1 in rat brain cerebral cortical membranes
50030620	1	ChEMBL_589580 (CHEMBL1051396)	Inhibition of Pim-3
50030620	2	ChEMBL_589578 (CHEMBL1051394)	Inhibition of Pim-1
50030620	3	ChEMBL_589579 (CHEMBL1051395)	Inhibition of Pim-2
50030621	1	ChEMBL_589587 (CHEMBL1052140)	Agonist activity at human PPARalpha expressed in HEK293 cells assessed as receptor transactivation at by luciferase reporter gene assay
50030622	1	ChEMBL_589589 (CHEMBL1052142)	Inhibition of recombinant CHK2 by [gamma-33P]ATP based assay
50030622	2	ChEMBL_589590 (CHEMBL1052143)	Inhibition of recombinant MET by [gamma-33P]ATP based assay
50030623	1	ChEMBL_589774 (CHEMBL1061278)	Displacement of [3H]9-cis-retinoic acid form human RXRalpha expressed in human Caco-2 cells after 16 hrs
50030623	2	ChEMBL_589773 (CHEMBL1061277)	Agonist activity at human recombinant Gal4-tagged RXRalpha expressed in human Caco-2 cells assessed as receptor homodimerization after 24 hrs by mammalian two hybrid assay
50030624	1	ChEMBL_589796 (CHEMBL1051419)	Binding affinity to kappa opioid receptor
50048091	6	ChEMBL_1627002 (CHEMBL3869523)	Displacement of [3H]NECA from adenosine receptor A2A in rat striatal membranes
50030624	3	ChEMBL_589794 (CHEMBL1051417)	Binding affinity to mu opioid receptor
50030624	4	ChEMBL_589788 (CHEMBL1051411)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 180 mins by scintillation counting
50030625	1	ChEMBL_590237 (CHEMBL1059274)	Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique
50030626	1	ChEMBL_590261 (CHEMBL1052796)	Inhibition of human sphingosine kinase 1 by off chip mobility shift assay
50048091	7	ChEMBL_1626996 (CHEMBL3869517)	Antagonist activity at adenosine receptor A2A in [3H]-adenine-labeled guinea pig cerebral cortical slices assessed as inhibition of 2-chloroadenosine-mediated [3H]cAMP accumulation
50048092	1	ChEMBL_1627005 (CHEMBL3869526)	Antagonist activity at androgen receptor in human MDA-MB-453 cells assessed as inhibition of testosterone-induced transactivation
50048092	2	ChEMBL_1627004 (CHEMBL3869525)	Displacement of [3H]DHT from androgen receptor in human MDA-MB-453 cells
50048093	1	ChEMBL_1627030 (CHEMBL3869551)	Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhibited forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50048093	2	ChEMBL_1627029 (CHEMBL3869550)	Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhibited forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50048093	3	ChEMBL_1627028 (CHEMBL3869549)	Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid scintillation counting method
50048093	4	ChEMBL_1627035 (CHEMBL3869556)	Agonist activity at recombinant human mGlu1 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as increase in Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	5	ChEMBL_1627043 (CHEMBL3869564)	Agonist activity at recombinant human mGlu7 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as increase in Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	6	ChEMBL_1627039 (CHEMBL3869560)	Agonist activity at recombinant human mGlu5 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as increase in Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	7	ChEMBL_1627038 (CHEMBL3869559)	Antagonist activity at recombinant human mGlu5 receptor expressed in hamster AV12 cells coexpressing human EAAT1/Galpha1s assessed as inhibition of Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	8	ChEMBL_1627067 (CHEMBL3869588)	Displacement of [3H]-Astemizole from human ERG by membrane binding assay
50048093	9	ChEMBL_1627045 (CHEMBL3869566)	Agonist activity at recombinant human mGlu8 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as induction of forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50048093	10	ChEMBL_1627093 (CHEMBL3869614)	Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid scintillation counting method
50048093	11	ChEMBL_1627033 (CHEMBL3869554)	Agonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as increase in forskolin-stimulated cAMP formation up to 25 uM after 20 mins by HTRF assay
50048093	12	ChEMBL_1627034 (CHEMBL3869555)	Agonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as increase in forskolin-stimulated cAMP formation up to 25 uM after 20 mins by HTRF assay
50048093	13	ChEMBL_1627037 (CHEMBL3869558)	Agonist activity at recombinant human mGlu4 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as increase in Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	14	ChEMBL_1627040 (CHEMBL3869561)	Antagonist activity at recombinant human mGlu6 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as inhibition of L-AP4-inhibited forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50048093	15	ChEMBL_1627044 (CHEMBL3869565)	Antagonist activity at recombinant human mGlu8 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as inhibition of Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	16	ChEMBL_1627025 (CHEMBL3869546)	Antagonist activity at recombinant human mGlu1 receptor expressed in hamster AV12 cells coexpressing human EAAT1/Galpha1s assessed as inhibition of Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50030628	1	ChEMBL_590312 (CHEMBL1054435)	Inhibition of ROCK1 by IMAP assay
50030628	2	ChEMBL_590313 (CHEMBL1054436)	Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration
50030629	1	ChEMBL_590498 (CHEMBL1058545)	Inhibition of xanthine oxidase
50030630	1	ChEMBL_590501 (CHEMBL1058548)	Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor
50030630	2	ChEMBL_590500 (CHEMBL1058547)	Displacement of [125I]FK33824 from human cloned mu opioid receptor
50048093	17	ChEMBL_1627036 (CHEMBL3869557)	Antagonist activity at recombinant human mGlu4 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as inhibition of Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	18	ChEMBL_1627042 (CHEMBL3869563)	Antagonist activity at recombinant human mGlu7 receptor expressed in hamster AV12 cells co-expressing human EAAT1/Galpha1s assessed as inhibition of Ca2+ flux by Fluo-3-AM dye based FLIPR assay
50048093	19	ChEMBL_1627041 (CHEMBL3869562)	Agonist activity at recombinant human mGlu6 receptor expressed in hamster AV12 cells co-expressing EAAT1 assessed as induction of forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50048094	1	ChEBML_1627126	Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method
50048094	13	ChEMBL_1627129 (CHEMBL3869650)	Inhibition of human ERG by electrophysiology method
50048094	14	ChEMBL_1627126 (CHEMBL3869647)	Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method
50048094	2	ChEMBL_1627127 (CHEMBL3869648)	Displacement of 35S-MK499 from human ERG expressed in HEK293 cell membranes
50030631	1	ChEMBL_590532 (CHEMBL1059347)	Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells
50030631	2	ChEMBL_590531 (CHEMBL1059346)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells
50030631	3	ChEMBL_590530 (CHEMBL1058577)	Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells
50048094	4	ChEBML_1627133	Inhibition of Kir4.1 (unknown origin)
50048094	5	ChEBML_1627135	Inhibition of Cav1.2 (unknown origin)
50030632	1	ChEMBL_590537 (CHEMBL1059352)	Displacement of [3H]SCH23390 from dopamine D1 receptor in pig striatal membranes
50030632	2	ChEMBL_590538 (CHEMBL1059353)	Displacement of [3H]spiperone from human cloned dopamine D2long receptor expressed in CHO cells
50030632	3	ChEMBL_590539 (CHEMBL1059354)	Displacement of [3H]spiperone from human cloned dopamine D2short receptor expressed in CHO cells
50030632	4	ChEMBL_590540 (CHEMBL1059355)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells
50030632	5	ChEMBL_590543 (CHEMBL1059358)	Displacement of [3H]ketanserin from 5HT2 receptor in pig striatal membranes
50030633	1	ChEMBL_590548 (CHEMBL1059363)	Agonist activity at human PPARalpha assessed as luciferase activity by transactivation assay
50030633	2	ChEMBL_590547 (CHEMBL1059362)	Agonist activity at human PPARgamma assessed as luciferase activity by transactivation assay
50030634	1	ChEMBL_590725 (CHEMBL1049125)	Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay
50030634	2	ChEMBL_590557 (CHEMBL1062055)	Inhibition of MAO-A from Wistar rat brain by radioenzymatic assay
50030634	3	ChEMBL_590737 (CHEMBL1049137)	Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay in presence of human platelet rich plasma
50030634	4	ChEMBL_590745 (CHEMBL1049145)	Inhibition of human recombinant CYP1A2
50030634	5	ChEMBL_590746 (CHEMBL1049146)	Inhibition of human recombinant CYP2C9
50030634	6	ChEMBL_590747 (CHEMBL1049147)	Inhibition of human recombinant CYP2C19
50030634	7	ChEMBL_590748 (CHEMBL1049148)	Inhibition of human recombinant CYP2D6
50030634	8	ChEMBL_590749 (CHEMBL1049149)	Inhibition of human recombinant CYP2E1
50030634	9	ChEMBL_590750 (CHEMBL1050892)	Inhibition of human recombinant CYP3A4
50030635	1	ChEMBL_590753 (CHEMBL1050895)	Inhibition of PTPN1
50030635	2	ChEMBL_590754 (CHEMBL1050896)	Inhibition of PTPN2
50048094	6	ChEBML_1627137	Inhibition of Somatostatin receptor type 2 (unknown origin) by radioligand binding assay
50048094	7	ChEBML_1627139	Inhibition of CYP3A4 (unknown origin)
50048094	8	ChEBML_1627140	Inhibition of CYP2D6 (unknown origin)
50030635	4	ChEMBL_590757 (CHEMBL1050899)	Inhibition of PTPN6
50048094	9	ChEMBL_1627131 (CHEMBL3869652)	Inhibition of Kir7.1 (unknown origin)
50030635	5	ChEMBL_590756 (CHEMBL1050898)	Inhibition of PTPRF
50030635	6	ChEMBL_590760 (CHEMBL1037598)	Inhibition of PTPRA
50030635	7	ChEMBL_590759 (CHEMBL1050901)	Inhibition of PTPRE
50030635	8	ChEMBL_590755 (CHEMBL1050897)	Inhibition of PTPRC
50030636	1	ChEMBL_590773 (CHEMBL1037611)	Inhibition of human recombinant BChE by Ellman's method
50030636	2	ChEMBL_590772 (CHEMBL1037610)	Inhibition of human recombinant AChE by Ellman's method
50030638	1	ChEMBL_590792 (CHEMBL1037630)	Binding affinity to human NK3 receptor
50030638	2	ChEMBL_590793 (CHEMBL1037631)	Binding affinity to human NK2 receptor
50030638	3	ChEMBL_590794 (CHEMBL1037632)	Agonist activity at human NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
50030638	4	ChEMBL_591043 (CHEMBL1058407)	Equilibrium binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
50030638	5	ChEMBL_591042 (CHEMBL1058406)	Apparent binding affinity to guinea pig NK3 receptor expressed in HEK293 cells
50030638	6	ChEMBL_590795 (CHEMBL1037633)	Agonist activity at guinea pig NK3 receptor expressed in cells assessed as accumulation of [3H]inositol phosphate
50030638	7	ChEMBL_590799 (CHEMBL1037637)	Displacement of [3H]substance P from human recombinant NK1 receptor expressed in HEK293 cells
50030638	8	ChEMBL_590800 (CHEMBL1037638)	Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in HEK293 cells
50030638	9	ChEMBL_590801 (CHEMBL1037639)	Displacement of [3H]osanetant from human recombinant NK3 receptor expressed in HEK293 cells
50030638	10	ChEMBL_590802 (CHEMBL1037640)	Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor expressed in HEK293 cells
50030638	11	ChEMBL_590803 (CHEMBL1037641)	Displacement of [3H]osanetant from guinea pig recombinant NK3 receptor A1142.58T expressed in HEK293 cells
50030638	12	ChEMBL_590806 (CHEMBL1039426)	Apparent binding affinity to human NK3 receptor expressed in HEK293 cells
50030638	13	ChEMBL_590807 (CHEMBL1039427)	Equilibrium binding affinity to human NK3 receptor expressed in HEK293 cells
50048094	10	ChEMBL_1627132 (CHEMBL3869653)	Inhibition of Kir2.1 (unknown origin)
50048094	11	ChEMBL_1627134 (CHEMBL3869655)	Inhibition of Nav1.5 (unknown origin)
50048094	12	ChEMBL_1627117 (CHEMBL3869638)	Inhibition of CYP2C9 (unknown origin)
50048095	1	ChEMBL_1627193 (CHEMBL3869714)	Inhibition of human C-terminal 6His-tagged SYK (356 to 635 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 as substrate after 1 hr in presence of ATP by electrophoretic mobility shift assay
50048095	2	ChEMBL_1627194 (CHEMBL3869715)	Inhibition of SYK in TgM-stimulated human Ramos cells expressing RA1/GFP-tagged BLNK assessed as reduction in RA1/GFP-tagged BLNK phosphorylation preincubated for 1 hr followed by IgM stimulation for 20 mins by TR-FRET assay
50048095	3	ChEMBL_1627207 (CHEMBL3869728)	Inhibition of human recombinant GST-tagged EPHA1 cytoplasmic domain (568 to 976 residues) expressed in baculovirus expression system by Z'-LYTE assay
50048095	4	ChEMBL_1627202 (CHEMBL3869723)	Inhibition of human N-terminal 6His-tagged VEGFR2 (807 to 1171 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 as substrate after 1 hr in presence of ATP by electrophoretic mobility shift assay
50048095	5	ChEMBL_1627206 (CHEMBL3869727)	Inhibition of human recombinant full length His-tagged CHK1 expressed in baculovirus expression system by Z'-LYTE assay
50048095	6	ChEMBL_1627208 (CHEMBL3869729)	Inhibition of human recombinant FER cytoplasmic domain (541 to 822 residues) expressed in baculovirus expression system by Z'-LYTE assay
50048095	7	ChEMBL_1627213 (CHEMBL3869734)	Inhibition of human recombinant full length N-terminal GST-tagged PHKG2 expressed in baculovirus expression system by Z'-LYTE assay
50048095	8	ChEMBL_1627201 (CHEMBL3869722)	Inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus expression system using 5-carboxyfluorescein(FAM)-EEPLYWSFPAKKK-NH2 as substrate after 1 hr in presence of ATP by electrophoretic mobility shift assay
50048095	9	ChEMBL_1627210 (CHEMBL3869731)	Inhibition of human recombinant GST-tagged RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system by Z'-LYTE assay
50048095	10	ChEMBL_1627216 (CHEMBL3869737)	Inhibition of human recombinant His-tagged VEGFR2 cytoplasmic domain (789 to1356 residues) expressed in baculovirus expression system by Z'-LYTE assay
50048095	11	ChEMBL_1627203 (CHEMBL3869724)	Inhibition of human full length N-terminal GST-tagged ZAP-70 (1 to 619 residues) expressed in baculovirus expression system using ULight peptide as substrate after 1 hr in presence of ATP by TR-FRET assay
50048095	12	ChEMBL_1627199 (CHEMBL3869720)	Inhibition of human N-terminal 6His-tagged FLT3 (564 to 993 residues) expressed in Sf9 insect cells using 5-carboxyfluorescein(FAM)-KKKKEEIYFFFG-NH2 as substrate after 1 hr in presence of ATP by electrophoretic mobility shift assay
50048095	13	ChEMBL_1627211 (CHEMBL3869732)	Inhibition of human recombinant GST-tagged PAK4 catalytic domain (295 to 591 residues) expressed in baculovirus expression system by Z'-LYTE assay
50048095	14	ChEMBL_1627205 (CHEMBL3869726)	Inhibition of human recombinant full length N-terminal GST-tagged SYK cytoplasmic domain expressed in baculovirus expression system by Z'-LYTE assay
50048096	1	ChEMBL_1627276 (CHEMBL3869797)	Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50048096	2	ChEMBL_1627275 (CHEMBL3869796)	Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method
50048096	3	ChEMBL_1627277 (CHEMBL3869798)	Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method
50048096	4	ChEMBL_1627274 (CHEMBL3869795)	Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	5	ChEMBL_1627282 (CHEMBL3869803)	Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	6	ChEMBL_1627285 (CHEMBL3869806)	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	7	ChEMBL_1627289 (CHEMBL3869810)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	8	ChEMBL_1627292 (CHEMBL3869813)	Displacement of [3H]Prazosin from human Alpha1B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	9	ChEMBL_1627295 (CHEMBL3869816)	Displacement of [3H]Rauwolscine from human Alpha2B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	10	ChEMBL_1627280 (CHEMBL3869801)	Displacement of [3H]Way100635 from human 5-HT1A receptor expressed in CHO cells measured after 90 mins by microbeta scintillation counting method
50048096	11	ChEMBL_1627299 (CHEMBL3869820)	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in fibroblast cells measured after 90 mins by microbeta scintillation counting method
50048096	12	ChEMBL_1627302 (CHEMBL3869823)	Displacement of [3H]SCH23390 from human D5 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	13	ChEMBL_1627306 (CHEMBL3869827)	Binding affinity to H2 receptor (unknown origin) expressed in HEKT cells measured after 90 mins by radioligand binding assay
50048096	14	ChEMBL_1627310 (CHEMBL3869831)	Binding affinity to human M2 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay
50048096	15	ChEMBL_1627312 (CHEMBL3869833)	Binding affinity to human M4 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay
50048096	16	ChEMBL_1627314 (CHEMBL3869835)	Displacement of [3H]Nisoxetine from human NET expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50030642	1	ChEMBL_591437 (CHEMBL1054557)	Inhibition of TNAP transfected in african green monkey COS1 cells by colorimetric assay
50030642	2	ChEMBL_591442 (CHEMBL1054562)	Inhibition of PLAP by luminescent assay
50030642	3	ChEMBL_591443 (CHEMBL1054563)	Inhibition of IAP by luminescent assay
50030642	4	ChEMBL_591447 (CHEMBL1054567)	Inhibition of TNAP right after mixing with enzyme (EI 0:0) by colorimetric assay
50030642	5	ChEMBL_591448 (CHEMBL1054568)	Inhibition of TNAP after 1 hr pre-incubation with enzyme (EI 1:1) by colorimetric assay
50030642	6	ChEMBL_591449 (CHEMBL1054569)	Inhibition of TNAP after 1 hr incubation with enzyme post-dilution (EI 1:0) by colorimetric assay
50030642	7	ChEMBL_591450 (CHEMBL1054570)	Inhibition of TNAP using CDP-star as substrate by non-competitive Lineweaver-Burke plot
50030642	8	ChEMBL_591451 (CHEMBL1054571)	Inhibition of TNAP using DEA as substrate by non-competitive Lineweaver-Burke plot
50048096	17	ChEMBL_1627303 (CHEMBL3869824)	Displacement of [3H]WIN35428 from human DAT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	18	ChEMBL_1627313 (CHEMBL3869834)	Binding affinity to human M5 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay
50048096	19	ChEMBL_1627287 (CHEMBL3869808)	Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	20	ChEMBL_1627288 (CHEMBL3869809)	Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells measured after 90 mins by microbeta scintillation counting method
50048096	21	ChEMBL_1627298 (CHEMBL3869819)	Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	22	ChEMBL_1627283 (CHEMBL3869804)	Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	23	ChEMBL_1627294 (CHEMBL3869815)	Displacement of [3H]Rauwolscine from human Alpha2A receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method
50048096	24	ChEMBL_1627290 (CHEMBL3869811)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	25	ChEMBL_1627315 (CHEMBL3869836)	Displacement of [3H]Citalopram from human SERT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	26	ChEMBL_1627308 (CHEMBL3869829)	Displacement of [3H]Histamine from H4 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50048096	27	ChEMBL_1627281 (CHEMBL3869802)	Displacement of [3H]5-CT from human 5-HT1B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	28	ChEMBL_1627284 (CHEMBL3869805)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50048096	29	ChEMBL_1627286 (CHEMBL3869807)	Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	30	ChEMBL_1627291 (CHEMBL3869812)	Displacement of [3H]Prazosin from human Alpha1A receptor measured after 90 mins by microbeta scintillation counting method
50048096	31	ChEMBL_1627293 (CHEMBL3869814)	Displacement of [3H]Prazosin from human Alpha1D receptor measured after 90 mins by microbeta scintillation counting method
50030645	1	ChEMBL_591861 (CHEMBL1045065)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50030645	2	ChEMBL_591862 (CHEMBL1045066)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50030645	3	ChEMBL_591863 (CHEMBL1045067)	Displacement of [3H]U69-593 from kappa opioid receptor in guinea pig brain membrane
50030645	4	ChEMBL_591866 (CHEMBL1045070)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as effect on muscle contraction
50030645	5	ChEMBL_591868 (CHEMBL1045938)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as effect on muscle contraction
50030646	1	ChEMBL_591887 (CHEMBL1045957)	Inhibition of human recombinant PDE4D2 expressed in baculovirus system by radiometric assay
50030646	2	ChEMBL_591888 (CHEMBL1045958)	Inhibition of human recombinant PDE4D3 expressed in baculovirus system by radiometric assay
50030646	3	ChEMBL_591873 (CHEMBL1045943)	Inhibition of human recombinant PDE4D expressed in Sf9 cells
50030646	4	ChEMBL_591880 (CHEMBL1045950)	Inhibition of human recombinant PDE4D3 expressed in baculovirus system by IMAP assay
50030646	5	ChEMBL_591886 (CHEMBL1045956)	Inhibition of human recombinant PDE4D1 expressed in baculovirus system by radiometric assay
50048096	32	ChEMBL_1627296 (CHEMBL3869817)	Displacement of [3H]Rauwolscine from human Alpha2C receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method
50048096	33	ChEMBL_1627297 (CHEMBL3869818)	Displacement of [3H]CGP12177 from human beta2 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation counting method
50048096	34	ChEMBL_1627300 (CHEMBL3869821)	Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method
50048096	35	ChEMBL_1627301 (CHEMBL3869822)	Displacement of [3H]N-methylspiperone from human D4 receptor measured after 90 mins by microbeta scintillation counting method
50048096	36	ChEMBL_1627305 (CHEMBL3869826)	Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50048096	37	ChEMBL_1627309 (CHEMBL3869830)	Binding affinity to human M1 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay
50048096	38	ChEMBL_1627311 (CHEMBL3869832)	Binding affinity to human M3 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay
50030648	1	ChEMBL_592394 (CHEMBL1036967)	Inhibition of LIMK1
50030648	2	ChEMBL_592395 (CHEMBL1036968)	Inhibition of human ROCK1 expressed in baculovirus system
50030648	4	ChEMBL_592392 (CHEMBL1036965)	Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by scintillation counting
50030649	2	ChEMBL_592405 (CHEMBL1036978)	Inhibition of human placental 17betaHSD2 by radiodetection assay
50048096	39	ChEMBL_1627307 (CHEMBL3869828)	Displacement of [3H]alpha-methylhistamine from human H3 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation counting method
50048097	1	ChEMBL_1627350 (CHEMBL3869871)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis
50030649	3	ChEMBL_592413 (CHEMBL1037799)	Inhibition of human hepatic CYP2C19
50030649	4	ChEMBL_592412 (CHEMBL1037798)	Inhibition of human hepatic CYP2D6
50030649	5	ChEMBL_592411 (CHEMBL1037797)	Inhibition of human hepatic CYP3A4
50048097	2	ChEMBL_1627348 (CHEMBL3869869)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD by spectrophotometric analysis relative to control
50048097	3	ChEMBL_1627355 (CHEMBL3869876)	Inhibition of COX-1 (unknown origin)
50048097	4	ChEMBL_1627356 (CHEMBL3869877)	Inhibition of COX-2 (unknown origin)
50030651	1	ChEMBL_592454 (CHEMBL1039645)	Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay
50030652	1	ChEMBL_588643 (CHEMBL1056053)	Inhibition of Escherichia coli FabH
50030653	1	ChEMBL_588648 (CHEMBL1056058)	Inhibition of human recombinant PDE3A by fluorescence polarization assay using cAMP as substrate
50030653	3	ChEMBL_588650 (CHEMBL1056060)	Inhibition of PIM1
50030653	4	ChEMBL_588651 (CHEMBL1056061)	Inhibition of survivin
50030654	1	ChEMBL_588661 (CHEMBL1056071)	Binding affinity to adenosine receptor A1
50030654	2	ChEMBL_588662 (CHEMBL1056072)	Binding affinity to adenosine receptor A2A
50030654	3	ChEMBL_588663 (CHEMBL1056073)	Binding affinity to mu opioid receptor
50030655	1	ChEMBL_588680 (CHEMBL1056090)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells
50030655	2	ChEMBL_588683 (CHEMBL1056093)	Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as nonradiaoactive DELFIA Eu-GTP binding treated for 15 mins before addition of Eu-GTP measured after 45 mins by time-resolved fluorometric method
50030655	3	ChEMBL_588678 (CHEMBL1056088)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50030655	4	ChEMBL_588679 (CHEMBL1056089)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells
50030656	1	ChEMBL_588688 (CHEMBL1056839)	Inhibition of MET kinase
50030656	2	ChEMBL_588689 (CHEMBL1056840)	Inhibition of MET kinase by Dixon plot analysis
50048097	5	ChEMBL_1627354 (CHEMBL3869875)	Inhibition of mouse COX-2 expressed in baculovirus infected Sf21 insect cells assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins
50048097	6	ChEMBL_1627353 (CHEMBL3869874)	Inhibition of sheep seminal vesicle COX-1 assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins
50048098	1	ChEMBL_1627457 (CHEMBL3869978)	Inhibition of hypoxia-induced HIF1 transcriptional activity in human HeLa cells measured after 12 hrs by luciferase reporter gene assay
50048099	1	ChEMBL_1627458 (CHEMBL3869979)	Positive allosteric modulation activity at human mGluR5A expressed in HEK293(ZF) cells co-expressing rat glutamate-aspartate transporter assessed as increase in L-glutamate-induced Ca2+ flux preincubated for 60 mins followed by L-glutamate addition measured for 100 sec by calcium-4 dye based FLIPR assay
50048099	2	ChEMBL_1627459 (CHEMBL3869980)	Displacement of [3H]MPEPy from human mGluR5 expressed in cell membranes after 60 mins by liquid scintillation counting method
50030658	1	ChEMBL_588896 (CHEMBL1061220)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting
50030658	4	ChEMBL_588902 (CHEMBL1061226)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50048100	1	ChEMBL_1627472 (CHEMBL3869993)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50048100	2	ChEMBL_1627474 (CHEMBL3869995)	Inhibition of human serum BChE using S-Butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50048100	3	ChEMBL_1627476 (CHEMBL3869997)	Non-competitive inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Lineweaver-Burk plot analysis
50048100	4	ChEMBL_1627477 (CHEMBL3869998)	Non-competitive inhibition of human serum BChE using S-Butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Lineweaver-Burk plot analysis
50048101	1	ChEMBL_1627484 (CHEMBL3870005)	Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincubated for 15 mins followed by CPA addition by PBX-based FLIPR assay
50048101	2	ChEMBL_1627486 (CHEMBL3870007)	Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOCE activity preincubated for 15 mins followed by BAPTA addition in presence of extracellular Ca2+ by PBX-based FLIPR assay
50048101	3	ChEMBL_1627493 (CHEMBL3870014)	Inhibition of Orai1 (unknown origin) by patch clamp assay
50048102	1	ChEBML_1627618	Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid measured after 6 hrs
50048102	2	ChEBML_1627619	Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid measured after 6 hrs
50048102	3	ChEMBL_1627619 (CHEMBL3870140)	Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid measured after 6 hrs
50048102	4	ChEMBL_1627618 (CHEMBL3870139)	Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid measured after 6 hrs
50030660	1	ChEMBL_588940 (CHEMBL1063855)	Inhibition of GST-tagged human TCPTP
50030660	2	ChEMBL_588938 (CHEMBL1063853)	Inhibition of GST-tagged human SHP1
50030660	3	ChEMBL_588936 (CHEMBL1063851)	Inhibition of GST-tagged human LAR
50030660	4	ChEMBL_588937 (CHEMBL1063852)	Inhibition of GST-tagged human SHP2
50030660	5	ChEMBL_588941 (CHEMBL1063856)	Inhibition of GST-tagged human PTP 1B
50030661	1	ChEMBL_589172 (CHEMBL1040323)	Inhibition of human GBA2
50048103	1	ChEMBL_1627626 (CHEMBL3870147)	Inhibition of human carbonic anhydrase 2 after 3 mins by spectrophotometric analysis
50048103	2	ChEMBL_1627625 (CHEMBL3870146)	Inhibition of human carbonic anhydrase 1 after 3 mins by spectrophotometric analysis
50048103	3	ChEMBL_1627629 (CHEMBL3870150)	Inhibition of human full length carbonic anhydrase 2
50048103	4	ChEMBL_1627628 (CHEMBL3870149)	Inhibition of human full length carbonic anhydrase 1
50048104	1	ChEMBL_1627692 (CHEMBL3870213)	Inhibition of rhesus monkey PDE2A3 expressed in AD293 cells using FAM-labeled cAMP as substrate after 60 mins in presence of cGMP by florescence polarization assay
50048105	1	ChEMBL_1627702 (CHEMBL3870223)	Inhibition of GST-tagged recombinant human PAD4 (1 to 663 residues) expressed in Escherichia coli using N-a-benzoyl-L-arginine ethyl ester as substrate preincubated for 30 mins followed by substrate addition after 100 mins by DTT-based fluorescence assay
50048105	2	ChEMBL_1627703 (CHEMBL3870224)	Inhibition of N-terminal 6His/FLAG-tagged recombinant human PAD2 (1 to 665 residues) expressed in baculovirus infected sf9 cells using N-a-benzoyl-L-arginine ethyl ester as substrate preincubated for 30 mins followed by substrate addition after 90 mins by DTT-based fluorescence assay
50048106	1	ChEMBL_1627749 (CHEMBL3870270)	Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation preincubated for 5 mins followed by addition of xanthine substrate measured every minute up to 8 mins
50030663	1	ChEMBL_589382 (CHEMBL1047377)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50030663	2	ChEMBL_589384 (CHEMBL1047379)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells
50030663	3	ChEMBL_589389 (CHEMBL1047384)	Inhibition of dopamine uptake at human DAT expressed in HEK293 cells
50030663	4	ChEMBL_589383 (CHEMBL1047378)	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells
50030663	5	ChEMBL_589385 (CHEMBL1047380)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells
50030663	6	ChEMBL_589386 (CHEMBL1047381)	Partial agonist activity at human 5HT1A expressed in HEK293 cells by FLIPR assay
50030663	7	ChEMBL_589390 (CHEMBL1047385)	Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells
50030663	8	ChEMBL_589388 (CHEMBL1047383)	Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells
50048107	1	ChEBML_1627785	Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence assay
50048107	2	ChEMBL_1627784 (CHEMBL3870369)	Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluorescence assay
50048107	3	ChEMBL_1627785 (CHEMBL3870370)	Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence assay
50030665	2	ChEMBL_589608 (CHEMBL1052161)	Inhibition of ligase activity of human MDM2
50030665	3	ChEMBL_589609 (CHEMBL1052162)	Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase reporter assay
50030666	1	ChEMBL_589618 (CHEMBL1052171)	Inhibition of human Lyn
50030666	2	ChEMBL_589619 (CHEMBL1052172)	Inhibition of Fyn
50030666	3	ChEMBL_589620 (CHEMBL1052173)	Inhibition of Lck
50030667	1	ChEMBL_589681 (CHEMBL1057686)	Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay
50030668	1	ChEMBL_590066 (CHEMBL1043895)	Inhibition of human CDK5
50030669	1	ChEMBL_590068 (CHEMBL1043897)	Agonist activity at progesterone receptor in human T47D cells assessed as alkaline phosphatase activity
50030669	2	ChEMBL_590069 (CHEMBL1043898)	Inhibition of progesterone receptor in human T47D cells assessed as progesteron-induced alkaline phosphatase activity
50048108	1	ChEBML_1627829	Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50048108	2	ChEBML_1627831	Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50048108	3	ChEBML_1627832	Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50048108	4	ChEBML_1627833	Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50030670	2	ChEMBL_590084 (CHEMBL1044763)	Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation
50048108	5	ChEMBL_1627831 (CHEMBL3870416)	Inhibition of ROS1 (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50048108	6	ChEMBL_1627829 (CHEMBL3870414)	Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50048108	7	ChEMBL_1627832 (CHEMBL3870417)	Inhibition of c-Met (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50030671	1	ChEMBL_594445 (CHEMBL1041494)	Inhibition of CK1delta
50030671	2	ChEMBL_594446 (CHEMBL1041495)	Inhibition of FGFR1
50030671	3	ChEMBL_594449 (CHEMBL1041498)	Inhibition of DYRK1R
50030671	4	ChEMBL_594450 (CHEMBL1041499)	Inhibition of KDR
50030671	5	ChEMBL_594452 (CHEMBL1041501)	Inhibition of Erk2
50030671	6	ChEMBL_594453 (CHEMBL1041502)	Inhibition of SGK1
50030672	1	ChEMBL_592820 (CHEMBL1049173)	Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay
50030672	2	ChEMBL_592821 (CHEMBL1049174)	Inhibition of human recombinant MGL using 2-oleoylglycerol by competitive hydrolysis assay
50030673	1	ChEMBL_592844 (CHEMBL1045787)	Inhibition of human ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay
50030673	2	ChEMBL_592845 (CHEMBL1045788)	Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay
50030673	3	ChEMBL_592846 (CHEMBL1045789)	Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index
50030673	4	ChEMBL_592858 (CHEMBL1045801)	Inhibition of human ELOVL1
50030673	5	ChEMBL_592859 (CHEMBL1045802)	Inhibition of human ELOVL2
50030673	6	ChEMBL_592861 (CHEMBL1045804)	Inhibition of human ELOVL5
50030673	7	ChEMBL_592860 (CHEMBL1045803)	Inhibition of human ELOVL3
50030673	8	ChEMBL_592862 (CHEMBL1045805)	Inhibition of mouse ELOVL3
50030674	1	ChEMBL_593050 (CHEMBL1039566)	Inhibition of human recombinant HDAC8 using fluorescent acetylated substrate
50030675	1	ChEMBL_593051 (CHEMBL1039567)	Inhibition of human Kv1.5 expressed in CHO cells by patch-clamp technique
50030675	2	ChEMBL_593052 (CHEMBL1039568)	Inhibition of human ERG by patch-clamp technique
50030675	3	ChEMBL_593057 (CHEMBL1039573)	Inhibition of Nav1.5 expressed in CHO cells by patch-clamp technique
50030675	4	ChEMBL_593058 (CHEMBL1039574)	Inhibition of Cav1.3 expressed in CHO cells by patch-clamp technique
50030675	6	ChEMBL_593060 (CHEMBL1039576)	Inhibition of Kv1.1 expressed in CHO cells by patch-clamp technique
50030675	7	ChEMBL_593061 (CHEMBL1039577)	Inhibition of Kv1.3 expressed in CHO cells by patch-clamp technique
50030675	8	ChEMBL_593062 (CHEMBL1039578)	Inhibition of Kv4.3 expressed in CHO cells by patch-clamp technique
50030675	9	ChEMBL_593071 (CHEMBL1039587)	Inhibition of CYP3A4 in human liver microsomes
50030675	10	ChEMBL_593072 (CHEMBL1039588)	Inhibition of CYP2D6 in human liver microsomes
50030675	11	ChEMBL_593073 (CHEMBL1039589)	Inhibition of CYP2C9 in human liver microsomes
50030676	1	ChEMBL_593109 (CHEMBL1042267)	Inhibition of HDAC6
50030676	2	ChEMBL_593106 (CHEMBL1042264)	Inhibition of HDAC1
50030676	3	ChEMBL_593115 (CHEMBL1042273)	Inhibition of HDAC6 in human HCT116 cells assessed as alpha-tubulin hyperacetylation after 24 hrs
50030676	4	ChEMBL_593116 (CHEMBL1042274)	Inhibition of HDAC1 in human HCT116 cells assessed as inhibition of histone-H3 deacetylation after 24 hrs
50030677	2	ChEMBL_593118 (CHEMBL1042276)	Inhibition of PARP1 by scintillation counting
50030678	1	ChEMBL_593141 (CHEMBL1044055)	Inhibition of Her1 by fluorescence polarization assay
50030678	2	ChEMBL_593142 (CHEMBL1044056)	Inhibition of Her2 by fluorescence polarization assay
50030678	3	ChEMBL_593160 (CHEMBL1044074)	Inhibition of Lck
50030678	4	ChEMBL_593161 (CHEMBL1044075)	Inhibition of Abl1
50030678	5	ChEMBL_593148 (CHEMBL1044062)	Inhibition of KDR
50030678	6	ChEMBL_593157 (CHEMBL1044071)	Inhibition of Ret
50030678	7	ChEMBL_593162 (CHEMBL1044076)	Inhibition of Src
50030678	8	ChEMBL_593156 (CHEMBL1044070)	Inhibition of FGFR2
50048108	8	ChEMBL_1627833 (CHEMBL3870418)	Inhibition of EGFR (unknown origin) using peptide as substrate after 60 mins by HTRF assay
50030678	10	ChEMBL_593167 (CHEMBL1044922)	Inhibition of Raf1
50030678	11	ChEMBL_593147 (CHEMBL1044061)	Inhibition of Flt1
50030678	12	ChEMBL_593150 (CHEMBL1044064)	Inhibition of Flt3
50030678	13	ChEMBL_593151 (CHEMBL1044065)	Inhibition of PDGFRalpha
50030678	14	ChEMBL_593152 (CHEMBL1044066)	Inhibition of PDGFRbeta
50030678	15	ChEMBL_593153 (CHEMBL1044067)	Inhibition of IGF1R
50030678	16	ChEMBL_593154 (CHEMBL1044068)	Inhibition of Kit
50030678	17	ChEMBL_593155 (CHEMBL1044069)	Inhibition of FGFR1
50030678	18	ChEMBL_593159 (CHEMBL1044073)	Inhibition of Met
50030678	19	ChEMBL_593163 (CHEMBL1044077)	Inhibition of Akt1
50030678	21	ChEMBL_593165 (CHEMBL1044079)	Inhibition of CDK2
50030678	22	ChEMBL_593166 (CHEMBL1044921)	Inhibition of MAPK1
50030679	2	ChEMBL_593233 (CHEMBL1046740)	Inhibition of G9a by Alpha screen assay
50030679	4	ChEMBL_593235 (CHEMBL1047551)	Binding affinity to G9a by isothermal titration calorimetry
50030680	1	ChEMBL_593416 (CHEMBL1040544)	Inhibition of Grb2 by ELISA
50030680	2	ChEMBL_593415 (CHEMBL1040543)	Displacement of biotin-Ahx-PSpYVNVQN peptide from GST fused Grb2 SH2 domain by ELISA
50048109	5	ChEMBL_1627842 (CHEMBL3870427)	Inhibition of CLK1 (unknown origin)
50048109	1	ChEBML_1627840	Inhibition of GSK-3 alpha/beta (unknown origin)
50048109	6	ChEMBL_1627839 (CHEMBL3870424)	Inhibition of CK1 delta/epsilon (unknown origin)
50048109	7	ChEMBL_1627841 (CHEMBL3870426)	Inhibition of DYRK1A (unknown origin)
50048109	2	ChEBML_1627839	Inhibition of CK1 delta/epsilon (unknown origin)
50048109	3	ChEBML_1627842	Inhibition of CLK1 (unknown origin)
50048109	4	ChEBML_1627841	Inhibition of DYRK1A (unknown origin)
50048109	8	ChEMBL_1627840 (CHEMBL3870425)	Inhibition of GSK-3 alpha/beta (unknown origin)
50030682	1	ChEMBL_593489 (CHEMBL1047613)	Inhibition of FLAG-tagged human mTOR by DELFIA method
50030682	2	ChEMBL_593490 (CHEMBL1047614)	Inhibition of PI3Kalpha
50030682	3	ChEMBL_593493 (CHEMBL1047617)	Inhibition of PI3Kdelta
50030682	4	ChEMBL_593494 (CHEMBL1047618)	Inhibition of PI3Kbeta
50048110	1	ChEMBL_1627863 (CHEMBL3870448)	Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-inhibitor complex by Lineweaver-Burk plot method
50048110	2	ChEMBL_1627862 (CHEMBL3870447)	Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk plot method
50048110	3	ChEMBL_1627860 (CHEMBL3870445)	Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-substrate-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method
50048110	4	ChEMBL_1627853 (CHEMBL3870438)	Inhibition of jack bean alpha-mannosidase using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method
50030683	4	ChEMBL_593500 (CHEMBL1047624)	Inhibition of PDE3A
50030683	5	ChEMBL_593501 (CHEMBL1047625)	Inhibition of PDE4C
50030683	6	ChEMBL_593504 (CHEMBL1047628)	Inhibition of PDE7B
50030683	7	ChEMBL_593505 (CHEMBL1047629)	Inhibition of PDE8B
50030683	8	ChEMBL_593506 (CHEMBL1047630)	Inhibition of PDE10
50048110	5	ChEMBL_1627859 (CHEMBL3870444)	Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method
50030684	1	ChEMBL_593610 (CHEMBL1039715)	Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay
50030684	2	ChEMBL_593617 (CHEMBL1040560)	Binding affinity to his-tagged human recombinant MDM2 by fluorescence polarization assay
50048110	6	ChEMBL_1627881 (CHEMBL3870466)	Inhibition of jack bean alpha-mannosidase using p-nitrophenyl-mannopyranoside as substrate measured every 2 mins
50048111	1	ChEMBL_1627882 (CHEMBL3870467)	Displacement of [3H]D-lysergic acid diethylamide from 5HT7R (unknown origin) expressed in HEK293 cell membranes incubated for 1.5 hrs in absence of light by liquid scintillation counting
50030686	1	ChEMBL_593692 (CHEMBL1044145)	Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation
50048111	2	ChEMBL_1627885 (CHEMBL3870470)	Agonist activity at human 5-HT7R expressed in HEK293 cells assessed as induction of cAMP levels treated for 10 mins measured after 30 mins by D2-dye based fluorescence assay
50048111	3	ChEMBL_1627888 (CHEMBL3870473)	Displacement of [3H]D-lysergic acid diethylamide from 5HT7R (unknown origin) expressed in CHO-K1 cell membranes incubated for 1.5 hrs in absence of light by liquid scintillation counting
50030688	1	ChEMBL_593894 (CHEMBL1037787)	Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenate by binding titration assay
50030688	2	ChEMBL_594001 (CHEMBL1044962)	Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition of CRF-stimulated cAMP production after 30 mins by HTRF analysis
50030689	1	ChEMBL_594164 (CHEMBL1038743)	Inhibition of AChE from rat cortex by Ellman assay
50030690	1	ChEMBL_594165 (CHEMBL1038744)	Displacement of [3H]8OH-DPAT from 5HT1A in Sprague-Dawley rat brain cortex by liquid scintillation counting
50030690	2	ChEMBL_594166 (CHEMBL1038745)	Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat brain cortex by liquid scintillation counting
50030690	3	ChEMBL_594168 (CHEMBL1039598)	Displacement of [3H]SCH23390 from dopamine D1 in rat striatum by liquid scintillation counting
50030690	4	ChEMBL_594167 (CHEMBL1039597)	Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting
50030691	1	ChEMBL_594173 (CHEMBL1039603)	Inhibition of CDK1
50030691	2	ChEMBL_594174 (CHEMBL1039604)	Inhibition of CDK2
50048111	4	ChEMBL_1627886 (CHEMBL3870471)	Antagonist activity at human 5-HT7R expressed in HEK293 cells assessed as inhibition of serotonin stimulated-cAMP levels preincubated for 10 mins followed by serotonin stimulation after 30 mins by D2-dye based fluorescence assay
50030693	1	ChEMBL_594470 (CHEMBL1041519)	Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay
50030694	1	ChEMBL_592717 (CHEMBL1042388)	Inhibition of human DNA polymerase alpha
50030694	2	ChEMBL_592718 (CHEMBL1042389)	Inhibition of human DNA polymerase beta
50030695	2	ChEMBL_592725 (CHEMBL1042396)	Inhibition of cKit
50030695	3	ChEMBL_592724 (CHEMBL1042395)	Inhibition of ALK
50030695	4	ChEMBL_592721 (CHEMBL1042392)	Inhibition of recombinant JAK3
50030695	5	ChEMBL_592720 (CHEMBL1042391)	Inhibition of recombinant JAK2
50030695	6	ChEMBL_592723 (CHEMBL1042394)	Inhibition of JAK3 in human HT2 cells assessed as inhibition of IL2-induced STAT5 phosphorylation by flow cytometry
50030695	7	ChEMBL_592722 (CHEMBL1042393)	Inhibition of JAK2 in human TF1 cells assessed as inhibition of GMCSF-induced STAT5 phosphorylation by flow cytometry
50048112	1	ChEMBL_1627921 (CHEMBL3870506)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50048112	2	ChEMBL_1627920 (CHEMBL3870505)	Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50048113	1	ChEMBL_1627941 (CHEMBL3870526)	Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 mins by Ellman's method
50048113	2	ChEMBL_1627946 (CHEMBL3870531)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 mins by Ellman's method
50048113	3	ChEMBL_1627947 (CHEMBL3870532)	Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 mins by Ellman's method
50048113	4	ChEMBL_1627944 (CHEMBL3870529)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 mins by Ellman's method
50030700	4	ChEMBL_592917 (CHEMBL1048420)	Inhibition of human cathepsin D preincubated for 30 mins
50048114	1	ChEMBL_1627989 (CHEMBL3870574)	Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50048114	2	ChEMBL_1627988 (CHEMBL3870573)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50030703	1	ChEMBL_590633 (CHEMBL1052237)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030703	2	ChEMBL_590638 (CHEMBL1052922)	Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030703	3	ChEMBL_590632 (CHEMBL1052236)	Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030703	4	ChEMBL_590636 (CHEMBL1052240)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50030703	5	ChEMBL_590641 (CHEMBL1053707)	Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production treated 45 mins before forskolin challenge measured after 15 mins by radioimmunoassay relative to NECA
50030703	6	ChEMBL_590642 (CHEMBL1053708)	Binding affinity to rat adenosine A3 receptor expressed in CHO cells
50048114	3	ChEMBL_1627992 (CHEMBL3870577)	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by Lineweaver-Burk plot analysis
50030705	1	ChEMBL_590922 (CHEMBL1045640)	Displacement of [3H]2-OG from human MGL by liquid scintillation counting
50030705	2	ChEMBL_590923 (CHEMBL1045641)	Displacement of [3H]ethanolamine from human recombinant FAAH by liquid scintillation counting
50030705	3	ChEMBL_590919 (CHEMBL1045637)	Inhibition of human MGL
50030705	4	ChEMBL_590920 (CHEMBL1045638)	Inhibition of human FAAH
50030706	1	ChEMBL_590952 (CHEMBL1047434)	Inhibition of Trypanosoma cruzi trypanothione reductase
50030706	2	ChEMBL_590953 (CHEMBL1047435)	Inhibition of Trypanosoma cruzi cruzipain
50030707	1	ChEMBL_591212 (CHEMBL1058518)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting
50030707	3	ChEMBL_591224 (CHEMBL1059302)	Inhibition of radiolabeled [D-Ala2,MePhe4,Gly-ol5]enkephalin binding to delta opioid receptor in rat brain membrane
50030707	4	ChEMBL_591225 (CHEMBL1059303)	Displacement of beta-[3H]FNA from mu opioid receptor in guinea pig brain membrane
50030707	5	ChEMBL_591210 (CHEMBL1058516)	Inhibition of [3H]naloxone binding to mu opioid receptor in rat brain membrane
50030707	6	ChEMBL_591210 (CHEMBL1058516)	Inhibition of [3H]naloxone binding to mu opioid receptor in rat brain membrane
50030708	1	ChEMBL_591227 (CHEMBL1056132)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells
50030708	2	ChEMBL_591229 (CHEMBL1056134)	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells
50048115	1	ChEBML_1628010	Inhibition of recombinant CETP (unknown origin) assessed as inhibition of BODIPY-labeled cholesteryl transfer to fluorescent substrate by fluorimetric assay
50030709	1	ChEMBL_591235 (CHEMBL1056140)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50030709	3	ChEMBL_591244 (CHEMBL1056149)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50048115	2	ChEMBL_1628010 (CHEMBL3870595)	Inhibition of recombinant CETP (unknown origin) assessed as inhibition of BODIPY-labeled cholesteryl transfer to fluorescent substrate by fluorimetric assay
50048116	1	ChEMBL_1628021 (CHEMBL3870606)	Inhibition of c-Kit (unknown origin) using biotinylated-poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 1 hr by alphascreen assay
50048116	2	ChEMBL_1628029 (CHEMBL3870614)	Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay
50048116	3	ChEMBL_1628032 (CHEMBL3870617)	Inhibition of PDGFRalpha (unknown origin) after 30 mins by HTRF assay
50048116	4	ChEMBL_1628024 (CHEMBL3870609)	Inhibition of PDGFRbeta (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50030710	1	ChEMBL_591751 (CHEMBL1037893)	Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells
50048116	5	ChEMBL_1628018 (CHEMBL3870603)	Inhibition of c-Met (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50048116	6	ChEMBL_1628023 (CHEMBL3870608)	Inhibition of PDGFRalpha (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50048116	7	ChEMBL_1628031 (CHEMBL3870616)	Inhibition of FLT3 (unknown origin) after 30 mins by HTRF assay
50048116	8	ChEMBL_1628033 (CHEMBL3870618)	Inhibition of Ron (unknown origin) after 30 mins by HTRF assay
50048116	9	ChEMBL_1628020 (CHEMBL3870605)	Inhibition of Ron (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50048116	10	ChEMBL_1628022 (CHEMBL3870607)	Inhibition of FLT3 (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50048116	11	ChEMBL_1628034 (CHEMBL3870619)	Inhibition of VEGFR2 (unknown origin) after 30 mins by HTRF assay
50048116	12	ChEMBL_1628019 (CHEMBL3870604)	Inhibition of VEGFR2 (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4 hrs by coupled luciferase reporter gene assay
50048116	13	ChEMBL_1628030 (CHEMBL3870615)	Inhibition of c-Kit (unknown origin) after 30 mins by HTRF assay
50048116	14	ChEMBL_1628035 (CHEMBL3870620)	Inhibition of EGFR (unknown origin) after 30 mins by HTRF assay
50048117	1	ChEMBL_1628065 (CHEMBL3870650)	Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escherichia coli BL21 DE3 using N-terminal His6-tagged LC3B-PLA2 as substrate after 60 mins by NBD-C6-HPC dye-based fluorescence assay
50048117	2	ChEMBL_1628066 (CHEMBL3870651)	Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay
50048117	3	ChEMBL_1628067 (CHEMBL3870652)	Inhibition of Atg4B (unknown origin) using LC3B-GST as substrate preincubated for 24 hrs followed by substrate addition measured for 3 mins by SDS-PAGE assay
50048117	4	ChEMBL_1628064 (CHEMBL3870649)	Inhibition of human recombinant GST-tagged Atg4B expressed in Escherichia coli using LC3B-GST as substrate after 6 mins by SDS-PAGE assay
50030712	1	ChEMBL_591957 (CHEMBL1047520)	Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay
50048118	1	ChEMBL_1628094 (CHEMBL3870679)	Inhibition of recombinant human CYP3A4 expressed in baculovirus infected insect cells using fluorescent substrate
50048118	2	ChEMBL_1628093 (CHEMBL3870678)	Inhibition of recombinant human CYP3A4 expressed in baculovirus infected insect cells preincubated for 30 mins using fluorescent substrate
50048119	1	ChEMBL_1628103 (CHEMBL3870688)	Transactivation at Gal4 fused PPARgamma LBD (unknown origin) expressed in African green monkey COS7 cells after 42 hrs by luciferase assay
50030714	1	ChEMBL_591963 (CHEMBL1047526)	Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50030714	2	ChEMBL_591964 (CHEMBL1047527)	Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50030715	1	ChEMBL_592001 (CHEMBL1050116)	Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis
50048120	1	ChEMBL_1628134 (CHEMBL3870719)	Inhibition of recombinant human GST-fused EGFR (668 to 1211 residues) assessed as phosphotyrosine formation using poly(Glu:Tyr, 4:1) as substrate and ATP measured after 6 mins
50030715	3	ChEMBL_591997 (CHEMBL1048394)	Inhibition of recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus after 10 mins by fluorimetric analysis
50048120	2	ChEMBL_1628127 (CHEMBL3870712)	Inhibition of HER2 (unknown origin) expressed in baculovirus infected insect cells after 20 mins in presence of ATP by ELISA
50048120	3	ChEBML_1628122	Inhibition of HDAC6 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50048120	4	ChEBML_1628121	Inhibition of HDAC1 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50048120	5	ChEBML_1628119	Inhibition of wild-type EGFR (unknown origin) assessed as remaining ATP level measured after 15 mins by luminescence analysis
50048120	6	ChEMBL_1628120 (CHEMBL3870705)	Inhibition of HER2 (unknown origin) assessed as remaining ATP level measured after 15 mins by luminescence analysis
50048120	14	ChEMBL_1628118 (CHEMBL3870703)	Inhibition of recombinant human amino-terminal GST-His6-fused EGFR expressed in baculovirus expression system assessed as phosphorylation using Biotin-PTP1B as substrate by HTScan assay
50030715	4	ChEMBL_591999 (CHEMBL1050114)	Inhibition of human recombinant N-terminal FLAG-tagged HDAC4 (612-1034) expressed in baculovirus after 10 mins by fluorimetric analysis
50030715	5	ChEMBL_591998 (CHEMBL1048395)	Inhibition of recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus after 10 mins by fluorimetric analysis
50030715	6	ChEMBL_592002 (CHEMBL1050117)	Inhibition of recombinant N-terminal FLAG-tagged HDAC6 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis
50030715	7	ChEMBL_592003 (CHEMBL1050118)	Inhibition of recombinant HDAC8 expressed in baculovirus after 10 mins by fluorimetric analysis
50030716	1	ChEMBL_592009 (CHEMBL1050124)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50030716	2	ChEMBL_592011 (CHEMBL1050126)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50030717	1	ChEMBL_592221 (CHEMBL1043163)	Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA
50030718	1	ChEMBL_592225 (CHEMBL1043167)	Inhibition of ROS1 by HotSpot assay
50030719	1	ChEMBL_592226 (CHEMBL1043168)	Inhibition of human SGLT2 expressed in HEK293.ETN cells assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake by scintillation counting
50030719	2	ChEMBL_592228 (CHEMBL1043170)	Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as methyl-alpha-D-[U-14C]glucopyranoside uptake by scintillation counting
50030720	1	ChEMBL_592233 (CHEMBL1044013)	Inhibition of baker's yeast alpha-glucosidase by 4-nitrophenolate-based assay
50030721	1	ChEMBL_592250 (CHEMBL1044030)	Inhibition of human recombinant SIRT1 after 60 mins by fluorimetric analysis
50030721	2	ChEMBL_592251 (CHEMBL1044031)	Inhibition of human recombinant SIRT2 after 60 mins by fluorimetric analysis
50030721	3	ChEMBL_592252 (CHEMBL1044032)	Inhibition of human recombinant SIRT3 after 60 mins by fluorimetric analysis
50030722	1	ChEMBL_592276 (CHEMBL1045850)	Inhibition of human recombinant MMP1
50048120	7	ChEMBL_1628135 (CHEMBL3870720)	Inhibition of recombinant human GST-fused HER2 (675 to 1255 residues) assessed as phosphotyrosine formation using poly(Glu:Tyr, 4:1) as substrate and ATP measured after 6 mins
50030722	2	ChEMBL_592277 (CHEMBL1045851)	Inhibition of human recombinant MMP2
50030722	3	ChEMBL_592275 (CHEMBL1045849)	Inhibition of human recombinant MMP3
50048120	8	ChEBML_1628127	Inhibition of HER2 (unknown origin) expressed in baculovirus infected insect cells after 20 mins in presence of ATP by ELISA
50030722	4	ChEMBL_592274 (CHEMBL1045848)	Inhibition of human recombinant MMP7
50030722	6	ChEMBL_592283 (CHEMBL1045857)	Inhibition of human recombinant MMP12
50048120	11	ChEMBL_1628133 (CHEMBL3870718)	Inhibition of HER2 (unknown origin)
50030722	7	ChEMBL_592285 (CHEMBL1045859)	Inhibition of human recombinant MMP13
50048120	12	ChEMBL_1628136 (CHEMBL3870721)	Inhibition of recombinant human amino-terminal GST-fused HER2 (Lys676-Val1255) expressed in baculovirus expression system using Biotin-FLT3 (Tyr589) peptide as substrate and ATP by HTScan assay
50048120	17	ChEMBL_1628122 (CHEMBL3870707)	Inhibition of HDAC6 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50048120	18	ChEMBL_1628121 (CHEMBL3870706)	Inhibition of HDAC1 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50048120	19	ChEMBL_1628119 (CHEMBL3870704)	Inhibition of wild-type EGFR (unknown origin) assessed as remaining ATP level measured after 15 mins by luminescence analysis
50030722	9	ChEMBL_592287 (CHEMBL1045861)	Inhibition of human recombinant TACE
50048120	9	ChEMBL_1628130 (CHEMBL3870715)	Inhibition of EGFR (unknown origin) expressed in baculovirus expression system using Biotin-(amino hexonoic acid)-EEEEYFELVAKKKCONH2 as substrate and [gamma32]-ATP measured after 10 mins by Topcount scintillation counting method
50030722	10	ChEMBL_592288 (CHEMBL1045862)	Inhibition of human recombinant ACE
50048120	13	ChEMBL_1628126 (CHEMBL3870711)	Inhibition of EGFR in human A431 cell membranes preincubated for 30 mins prior to addition of peptide substrate and [gamma32]-ATP measured after 10 mins by scintillation counting method
50048120	16	ChEMBL_1628128 (CHEMBL3870713)	Inhibition of human EGFR expressed in baculovirus/Sf21 system in presence of ATP by ELISA
50030724	1	ChEMBL_592497 (CHEMBL1043213)	Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product
50030725	1	ChEMBL_592525 (CHEMBL1044081)	Inhibition of human SERT expressed in JAR cells
50030725	2	ChEMBL_592526 (CHEMBL1044082)	Inhibition of human NET expressed in MDCK-Net6 cells
50030726	1	ChEMBL_588720 (CHEMBL1059329)	Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline to 7-hydroxyquinoline measured every 15 mins by fluorescence intensity analysis
50048120	10	ChEMBL_1628132 (CHEMBL3870717)	Inhibition of EGFR (unknown origin)
50048120	15	ChEMBL_1628129 (CHEMBL3870714)	Inhibition of human HER2 expressed in baculovirus/Sf21 system in presence of ATP by ELISA
50030727	2	ChEMBL_588743 (CHEMBL1053690)	Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay
50030728	1	ChEMBL_588764 (CHEMBL1054450)	Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex membrane after 2 hrs by liquid scintillation counting
50030729	1	ChEMBL_588776 (CHEMBL1054462)	Agonist activity at human LXRalpha assessed as association of SRC1 to LXRalpha ligand binding domain by FRET based cell-free ligand sensing assay
50048121	1	ChEMBL_1628173 (CHEMBL3870758)	Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured after 1 hr by scintillation spectrometric analysis
50030729	3	ChEMBL_588964 (CHEMBL1056159)	Binding affinity to PXR by scintillation proximity binding assay
50030730	1	ChEMBL_588965 (CHEMBL1056160)	Inhibition of pig liver carboxylesterase by Lineweaver-Burke analysis
50030731	1	ChEMBL_588968 (CHEMBL1056163)	Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose
50030731	2	ChEMBL_588966 (CHEMBL1056161)	Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose
50030732	1	ChEMBL_588983 (CHEMBL1056178)	Inhibition of Stat3 SH2 domain by fluorescence polarization assay
50030733	1	ChEMBL_588998 (CHEMBL1056193)	Inhibition of Actinomadura sp. R39 penicillin-binding protein preincubated for 60 mins before addition of substrate mixture of (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid and 5,5'-dithiobis(2-nitrobenzoic acid)
50030733	2	ChEMBL_589009 (CHEMBL1055314)	Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate mixture of (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid and 5,5'-dithiobis(2-nitrobenzoic acid)
50030734	1	ChEMBL_589212 (CHEMBL1041206)	Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50030734	2	ChEMBL_589216 (CHEMBL1041210)	Antagonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as inhibition of 5-HT-stimulated cAMP production after 30 mins by HTRF assay
50030734	3	ChEMBL_589219 (CHEMBL1041213)	Inhibition of human 5HT1A receptor
50030734	4	ChEMBL_589220 (CHEMBL1041214)	Inhibition of human 5HT2C receptor
50030734	5	ChEMBL_589221 (CHEMBL1041215)	Inhibition of human SERT
50030734	6	ChEMBL_589226 (CHEMBL1041220)	Binding affinity to 5HT6 receptor
50030734	7	ChEMBL_589223 (CHEMBL1041217)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells
50030734	8	ChEMBL_589225 (CHEMBL1041219)	Agonist activity at human 5HT6 receptor expressed in HeLa cells assessed as induction of cAMP production after 10 mins by radioimmunoassay
50030735	1	ChEMBL_589466 (CHEMBL1059252)	Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting
50030735	2	ChEMBL_589467 (CHEMBL1059253)	Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting
50030735	3	ChEMBL_589470 (CHEMBL1059256)	Displacement of [125I]Z241385 from human cloned adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting
50030735	4	ChEMBL_589472 (CHEMBL1053620)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated [3H]cAMP production by scintillation counting
50030735	5	ChEMBL_589473 (CHEMBL1053621)	Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-inhibited [3H]cAMP production by scintillation counting
50048121	2	ChEMBL_1628174 (CHEMBL3870759)	Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured after 1 hr by scintillation spectrometric analysis
50030737	1	ChEMBL_589520 (CHEMBL1056849)	Binding affinity to FLT3 catalytic domain expressed in HEK293 cells by competitive binding assay
50030737	2	ChEMBL_589686 (CHEMBL1057691)	Binding affinity to Kit
50030737	3	ChEMBL_589688 (CHEMBL1057693)	Binding affinity to PDGFRalpha
50030737	5	ChEMBL_589692 (CHEMBL1057697)	Binding affinity to FLT1
50030737	6	ChEMBL_589694 (CHEMBL1057699)	Binding affinity to DDR1
50030737	7	ChEMBL_589695 (CHEMBL1057700)	Binding affinity to VEGFR2
50030737	8	ChEMBL_589689 (CHEMBL1057694)	Binding affinity to PDGFRbeta
50030737	9	ChEMBL_589690 (CHEMBL1057695)	Binding affinity to RET
50030737	10	ChEMBL_589691 (CHEMBL1057696)	Binding affinity to CSF1R
50030739	2	ChEMBL_589762 (CHEMBL1061266)	Inhibition of human cathepsin D by FRET
50030739	3	ChEMBL_589761 (CHEMBL1061265)	Inhibition of human BACE2 by FRET
50048121	3	ChEMBL_1628187 (CHEMBL3870772)	Inhibition of human recombinant VAP-1 using benzylamine as substrate incubated for 30 mins followed by substrate addition measured every 2.5 mins for 30 mins by fluorometric assay
50048122	1	ChEMBL_1628197 (CHEMBL3870782)	Binding affinity to Cyp18 (unknown origin) by fluorescence assay
50048123	1	ChEMBL_1628344 (CHEMBL3870929)	Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unknown origin) interaction measured after 30 mins by fluorescence polarization assay
50030739	5	ChEMBL_589765 (CHEMBL1061269)	Inhibition of human recombinant renin by FRET
50048124	1	ChEMBL_1628354 (CHEMBL3870939)	Inhibition of TrkA (unknown origin)
50048124	2	ChEMBL_1628353 (CHEMBL3870938)	Inhibition of human N- terminal GST-tagged TrkA cytoplasmic domain (436 to 790 residues) expressed in baculovirus infected sf21 cells using biotinylated peptide substrate incubated for 15 mins followed by addition of ATP measured after 30 mins by TR-FRET assay
50048124	3	ChEMBL_1628355 (CHEMBL3870940)	Inhibition of TrkA (unknown origin) by ELISA
50048124	4	ChEMBL_1628346 (CHEMBL3870931)	Inhibition of human TrkA expressed in human U2OS cells assessed as inhibition of NGF-induced response measured after 1 hr by beta-galactosidase assay
50048125	1	ChEMBL_1628380 (CHEMBL3870965)	Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux preincubated for 30 mins followed by phenylephrine addition by Fluo-4-AM-dye based FLIPR assay
50048125	2	ChEMBL_1628382 (CHEMBL3870967)	Displacement of [3H]-dofetilide from human ERG expressed in CHOK1 cell membranes incubated for 4 hrs in dark by luminescent assay
50048125	3	ChEMBL_1628378 (CHEMBL3870963)	Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding after 2 to 6 hrs by scintillation proximity assay
50048125	4	ChEMBL_1628379 (CHEMBL3870964)	Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux preincubated for 30 mins followed by phenylephrine addition by Fluo-4-AM-dye based FLIPR assay
50030740	1	ChEMBL_589927 (CHEMBL1048278)	Inhibition of Schistosoma mansoni TGR
50030740	3	ChEMBL_589949 (CHEMBL1050857)	Inhibition of human recombinant GR after 15 mins in presence of NADPH
50030741	1	ChEMBL_589971 (CHEMBL1050879)	Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting
50030741	2	ChEMBL_589972 (CHEMBL1050880)	Displacement of [3H]WIN-55212-2 from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting
50030742	1	ChEMBL_591545 (CHEMBL1062951)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50030742	2	ChEMBL_591546 (CHEMBL1062952)	Inhibition of human liver cathepsin L
50030742	3	ChEMBL_591547 (CHEMBL1062953)	Inhibition of human liver cathepsin B
50030743	1	ChEMBL_598262 (CHEMBL1037223)	Binding affinity to human sex hormone binding globulin after 30 mins by size-exclusion HPLC analysis
50048125	5	ChEMBL_1628377 (CHEMBL3870962)	Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 30 mins followed by histamine addition by Fluo-4-AM dye based FLIPR assay
50030745	1	ChEMBL_598737 (CHEMBL1039307)	Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as calcium flux by FLIPR assay
50030745	2	ChEMBL_598740 (CHEMBL1039310)	Activity at rat alpha7 nAChR expressed in rat GH4C1 cells by patch clamp technique
50030745	3	ChEMBL_598739 (CHEMBL1039309)	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells
50030746	1	ChEMBL_598758 (CHEMBL1040173)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells
50030746	2	ChEMBL_598759 (CHEMBL1040174)	Agonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as induction of adenylyl cyclase activity by RIA
50030746	3	ChEMBL_598766 (CHEMBL1042006)	Displacement of [125I]DOI from human cloned 5HT2A receptor expressed in CHO cells
50030746	4	ChEMBL_598947 (CHEMBL1049083)	Displacement of [3H]5-HT from human cloned 5HT2C receptor expressed in CHO cells
50030746	5	ChEMBL_598948 (CHEMBL1049084)	Displacement of [3H]LSD from human cloned 5HT7 receptor expressed in CHO cells
50030746	6	ChEMBL_598951 (CHEMBL1049087)	Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO-K1 cells
50030746	7	ChEMBL_598761 (CHEMBL1040176)	Antagonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as inhibition of adenylyl cyclase activity by RIA
50030746	8	ChEMBL_598950 (CHEMBL1049086)	Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO-K1 cells
50030747	1	ChEMBL_598993 (CHEMBL1041917)	Inhibition of GST-fused human NF-kappaB p50 subunit DNA binding activity assessed as shortened diffusion time by fluorescence correlation spectroscopy
50030748	1	ChEMBL_599014 (CHEMBL1041938)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction at 1 uM
50030748	2	ChEMBL_599016 (CHEMBL1041940)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated muscle contraction at 1 uM
50030748	4	ChEMBL_599195 (CHEMBL1049838)	Inhibition of COX2-mediated PGH2 production by enzyme immunoassay
50030749	1	ChEMBL_599200 (CHEMBL1049843)	Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG
50030750	1	ChEMBL_599256 (CHEMBL1038347)	Inhibition of ovine COX2 by chemiluminescent enzyme assay
50030750	2	ChEMBL_599255 (CHEMBL1038346)	Inhibition of ovine COX1 by chemiluminescent enzyme assay
50030751	1	ChEMBL_599661 (CHEMBL1042905)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins
50030751	2	ChEMBL_599660 (CHEMBL1042904)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins
50030751	3	ChEMBL_599659 (CHEMBL1042903)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins
50030751	4	ChEMBL_599658 (CHEMBL1042902)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins
50030752	1	ChEMBL_599699 (CHEMBL1045565)	Inhibition of GLUT2-mediated [14C]D-glucose uptake in human MCF7 cells by liquid scintillation counting
50030752	2	ChEMBL_599700 (CHEMBL1045566)	Inhibition of GLUT2-mediated [14C]D-glucose uptake in human MDA-MB-231 cells by liquid scintillation counting
50030752	3	ChEMBL_599701 (CHEMBL1045567)	Inhibition of GLUT5-mediated [14C]D-fructose uptake in human MCF7 cells by liquid scintillation counting
50030752	4	ChEMBL_599702 (CHEMBL1045568)	Inhibition of GLUT5-mediated [14C]D-fructose uptake in human MDA-MB-231 cells by liquid scintillation counting
50030753	1	ChEMBL_599883 (CHEMBL1045448)	Inhibition of p38alpha by Cherenkov counting
50030753	2	ChEMBL_599884 (CHEMBL1045449)	Inhibition of CK1delta by Cherenkov counting in presence of 20 uM ATP
50030753	3	ChEMBL_599888 (CHEMBL1045453)	Inhibition of JNK2 by Cherenkov counting in presence of 20 uM ATP
50030753	4	ChEMBL_599889 (CHEMBL1045454)	Inhibition of JNK3 by Cherenkov counting in presence of 20 uM ATP
50030753	5	ChEMBL_599895 (CHEMBL1045460)	Inhibition of human CK1delta
50030753	6	ChEMBL_599897 (CHEMBL1045462)	Inhibition of GST-fused rat CK1delta expressed in Escherichia coli using phosphorylated peptide TFRPRTSpSNASTIS as substrate
50030753	7	ChEMBL_599898 (CHEMBL1045463)	Inhibition of GST-fused human p38alpha expressed in Escherichia coli
50030753	8	ChEMBL_599890 (CHEMBL1045455)	Inhibition of recombinant CK1delta kinase domain by Cherenkov counting
50030753	9	ChEMBL_599899 (CHEMBL1045464)	Inhibition of GST-fused rat CK1delta by Cherenkov counting in presence of 20 uM ATP
50030753	10	ChEMBL_599902 (CHEMBL1045467)	Inhibition of recombinant CK1epsilon by Cherenkov counting in presence of 20 uM ATP
50030754	1	ChEMBL_600842 (CHEMBL1041988)	Inhibition of human recombinant MAOA expressed in BTI cells
50030754	2	ChEMBL_600843 (CHEMBL1041989)	Inhibition of human recombinant MAOB expressed in BTI cells
50030755	2	ChEMBL_600853 (CHEMBL1042811)	Inhibition of human recombinant PDE3A assessed as cGMP hydrolysis after 60 mins by fluorescence polarization assay using tetramethylrhodamine-tagged cGMP as substrate
50030756	1	ChEMBL_600877 (CHEMBL1042835)	Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC
50030756	2	ChEMBL_600878 (CHEMBL1042836)	Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma
50030756	3	ChEMBL_600879 (CHEMBL1042837)	Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma
50030756	4	ChEMBL_597923 (CHEMBL1042708)	Displacement of ITAC from CXCR3 receptor in human whole blood assay
50030756	5	ChEMBL_597924 (CHEMBL1042709)	Displacement of ITAC from CXCR3 receptor in mouse whole blood assay
50030757	1	ChEMBL_597942 (CHEMBL1042727)	Inhibition of recombinant Taspase 1 assessed as accumulation of emitted fluorescence by FRET assay
50030758	1	ChEMBL_597945 (CHEMBL1042730)	Inhibition of human recombinant TPH1 by continuous fluorescence assay
50030759	2	ChEMBL_597960 (CHEMBL1042745)	Inhibition of PDE6
50030759	4	ChEMBL_597976 (CHEMBL1045407)	Inhibition of PDE1A
50030759	5	ChEMBL_597977 (CHEMBL1045408)	Inhibition of PDE1B
50030759	6	ChEMBL_597978 (CHEMBL1045409)	Inhibition of PDE1C
50030759	7	ChEMBL_597979 (CHEMBL1045410)	Inhibition of PDE2
50030759	8	ChEMBL_597980 (CHEMBL1045411)	Inhibition of PDE3A
50030759	9	ChEMBL_597981 (CHEMBL1045412)	Inhibition of PDE3B
50030759	10	ChEMBL_597982 (CHEMBL1045413)	Inhibition of PDE4A
50030759	11	ChEMBL_597983 (CHEMBL1045414)	Inhibition of PDE4B
50030759	12	ChEMBL_597984 (CHEMBL1045415)	Inhibition of PDE4C
50030759	13	ChEMBL_597985 (CHEMBL1045416)	Inhibition of PDE7A
50030759	14	ChEMBL_597986 (CHEMBL1045417)	Inhibition of PDE7B
50030759	15	ChEMBL_597987 (CHEMBL1045418)	Inhibition of PDE8A
50030759	16	ChEMBL_597988 (CHEMBL1045419)	Inhibition of PDE8B
50030759	17	ChEMBL_597989 (CHEMBL1045420)	Inhibition of PDE9
50030759	18	ChEMBL_598001 (CHEMBL1046270)	Inhibition of PDE4D
50048126	1	ChEMBL_1628389 (CHEMBL3870974)	Inhibition of porcupine-mediated Wnt signaling in mouse L-cells after 24 hrs by springerImage-Topflash reporter assay
50030761	1	ChEMBL_598114 (CHEMBL1038296)	Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells
50030761	2	ChEMBL_598115 (CHEMBL1038297)	Inhibition of serotonin uptake at human SERT expressed in JAR cells
50030761	3	ChEMBL_598118 (CHEMBL1038300)	Displacement of [3H]Nisoxetine from human recombinant NET expressed in MDCK cells
50030762	1	ChEMBL_598136 (CHEMBL1039166)	Inhibition of Src
50030762	2	ChEMBL_598137 (CHEMBL1039167)	Inhibition of human Src expressed in rat fibroblasts assessed as anchorage independent growth after 3 days
50030763	1	ChEMBL_598158 (CHEMBL1044342)	Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates
50030763	2	ChEMBL_598157 (CHEMBL1044341)	Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates
50030763	3	ChEMBL_598160 (CHEMBL1044344)	Binding affinity to VMAT2
50030764	1	ChEMBL_598161 (CHEMBL1044345)	Displacement of [3H]CP-55940 from recombinant human CB1 receptor expressed in CHO cells
50030764	2	ChEMBL_598165 (CHEMBL1044349)	Displacement of [3H]CP-55940 from recombinant human CB2 receptor expressed in CHO cell
50030764	3	ChEMBL_598162 (CHEMBL1044346)	Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assay
50030764	4	ChEMBL_598164 (CHEMBL1044348)	Inhibition of CYP3A4
50030766	1	ChEMBL_598345 (CHEMBL1050577)	Inhibition of SCD1 in human HepG2 cells by whole cell assay
50030766	2	ChEMBL_598346 (CHEMBL1050578)	Binding affinity to delta-5 saturase in human HepG2 cells by whole cell assay
50030766	3	ChEMBL_598347 (CHEMBL1050579)	Binding affinity to delta-6 saturase in human HepG2 cells by whole cell assay
50030766	4	ChEMBL_598344 (CHEMBL1041718)	Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA
50030767	1	ChEMBL_598360 (CHEMBL1037264)	Displacement of SAENTA-fluorescein from human ENT1 in HL60 cells by flow cytometry
50030767	2	ChEMBL_598362 (CHEMBL1037266)	Binding affinity to human ENT1 in HL60 cells by flow cytometry
50030767	3	ChEMBL_598363 (CHEMBL1037267)	Binding affinity to human ENT1 in Capan1 cells by flow cytometry
50030767	4	ChEMBL_598364 (CHEMBL1037268)	Binding affinity to human ENT1 in panc1 cells by flow cytometry
50030767	5	ChEMBL_598365 (CHEMBL1037269)	Binding affinity to human ENT1 in MIA-PaCa2 cells by flow cytometry
50030767	6	ChEMBL_598366 (CHEMBL1037270)	Binding affinity to human ENT1 in BX-PC3 cells by flow cytometry
50030767	7	ChEMBL_598367 (CHEMBL1037271)	Binding affinity to human ENT1 in SK-PC1 cells by flow cytometry
50048127	1	ChEMBL_1628395 (CHEMBL3870980)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50048127	2	ChEMBL_1628397 (CHEMBL3870982)	Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50048127	3	ChEMBL_1628396 (CHEMBL3870981)	Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50030768	2	ChEMBL_598371 (CHEMBL1037275)	Inhibition of PRMT1
50048127	4	ChEMBL_1628394 (CHEMBL3870979)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50030769	2	ChEMBL_598541 (CHEMBL1043533)	Antagonistic activity against MCH1R expressed on CHOK1 cells assessed as intracellular calcium mobilization by FLIPR
50030769	3	ChEMBL_598542 (CHEMBL1043534)	Inhibition of human ERG potassium channel 1
50030769	4	ChEMBL_598544 (CHEMBL1043536)	Inhibition of mu-type opioid receptor
50030769	5	ChEMBL_598545 (CHEMBL1043537)	Inhibition of kappa-type opioid receptor
50030769	7	ChEMBL_598547 (CHEMBL1043539)	Inhibition of histamine H1 receptor
50030769	8	ChEMBL_598548 (CHEMBL1043540)	Inhibition of histamine H2 receptor
50030769	9	ChEMBL_598549 (CHEMBL1043541)	Inhibition of histamine H3 receptor
50030769	10	ChEMBL_598550 (CHEMBL1043542)	Inhibition of histamine H4 receptor
50030769	11	ChEMBL_598551 (CHEMBL1043543)	Inhibition of adenosine receptor A2A
50030769	12	ChEMBL_598552 (CHEMBL1043544)	Inhibition of muscarinic M1 receptor
50048128	1	ChEMBL_1628442 (CHEMBL3871027)	Inhibition of human recombinant PDE4B2 using cAMP as substrate after 2 hrs by TR-FRET assay
50048129	1	ChEMBL_1628501 (CHEMBL3871086)	Inhibition of recombinant human KLK7 expressed in baculovirus/insect cell expression system using Abz-KLYSSKQ-EDDnp peptide as substrate preincubated for 5 mins followed by substrate addition by FRET assay
50048129	2	ChEMBL_1628503 (CHEMBL3871088)	Competitive inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate by Dixon plot analysis
50048129	3	ChEMBL_1628500 (CHEMBL3871085)	Inhibition of recombinant human KLK1 expressed in baculovirus/insect cell expression system using Abz-KLRSSKQ-EDDnp peptide as substrate preincubated for 5 mins followed by substrate addition by FRET assay
50048130	1	ChEMBL_1628509 (CHEMBL3871094)	Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis
50048130	2	ChEMBL_1628507 (CHEMBL3871092)	Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis
50048131	1	ChEMBL_1628516 (CHEMBL3871101)	Inhibition of BuChE (unknown origin) by spectrophotometric analysis based Ellman's assay
50048132	1	ChEMBL_1628530 (CHEMBL3871115)	Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay
50048132	2	ChEMBL_1628531 (CHEMBL3871116)	Inhibition of human ROMK1 channel expressed in CHO-DHFR cells after 35 mins by 86Rb+ efflux assay
50048133	1	ChEMBL_1628532 (CHEMBL3871117)	Inhibition of TDO2 in human A172 cells assessed as kynurenine formation after overnight incubation
50048134	1	ChEMBL_1628545 (CHEMBL3871130)	Inhibition of human recombinant LpPLA2
50048134	2	ChEMBL_1628544 (CHEMBL3871129)	Inhibition of LpPLA2 (unknown origin)
50048135	1	ChEMBL_1628556 (CHEMBL3871141)	Inhibition of tyrosinase in human MNT1 cells assessed as suppression of melanin biosynthesis measured after 96 hrs
50048135	2	ChEMBL_1628555 (CHEMBL3871140)	Inhibition of tyrosinase in human MNT1 cell lysate pretreated prior to addition of L-DOPA as substrate measured after 3 hrs
50048135	3	ChEMBL_1628554 (CHEMBL3871139)	Inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells assessed as diphenolase activity using L-DOPA as substrate by UV-vis spectrophotometry
50048136	1	ChEMBL_1628565 (CHEMBL3871150)	Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC
50048136	2	ChEMBL_1628566 (CHEMBL3871151)	Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC
50048136	3	ChEMBL_1628573 (CHEMBL3871158)	Inhibition of activated protein C (unknown origin)
50048136	4	ChEMBL_1628568 (CHEMBL3871153)	Inhibition of tissue Kallikrein-1 (unknown origin)
50048137	6	ChEMBL_1628575 (CHEMBL3871160)	Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	2	ChEMBL_1628577 (CHEMBL3871162)	Positive allosteric modulation of human GluA2 receptor flip isoform assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	7	ChEMBL_1628579 (CHEMBL3871164)	Positive allosteric modulation of human GluA2 receptor flop isoform assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	1	ChEBML_1628579	Positive allosteric modulation of human GluA2 receptor flop isoform assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	3	ChEBML_1628575	Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	4	ChEBML_1628587	Positive allosteric modulation of GluN1/GluN2D receptor (unknown origin) assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50048137	5	ChEBML_1628582	Positive allosteric modulation of GluN1/GluN2C receptor (unknown origin) assessed as increase in glutamate-induced calcium flux measured at time interval of 5 mins in presence of saturating glycine by calcium dye-based fluorescence assay
50030772	1	ChEMBL_598612 (CHEMBL1048115)	Inhibition of TGFR1
50030773	1	ChEMBL_598774 (CHEMBL1042014)	Displacement of [125I]-PYY from human NPYY2 receptor
50030773	2	ChEMBL_598775 (CHEMBL1042015)	Displacement of [125I]-PYY from human NPYY4 receptor
50030773	3	ChEMBL_598776 (CHEMBL1042016)	Displacement of [125I]-PYY from human NPYY5 receptor
50030773	4	ChEMBL_598772 (CHEMBL1042012)	Displacement of [125I]-PYY from human NPYY1 receptor overexpressed in CHO cell membrane after 120 mins by scintillation counting
50030774	1	ChEMBL_598777 (CHEMBL1042017)	Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis
50030774	2	ChEMBL_598778 (CHEMBL1042018)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis
50030774	3	ChEMBL_598779 (CHEMBL1042019)	Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain after 2 hrs by liquid scintillation analysis
50048138	1	ChEMBL_1628613 (CHEMBL3871198)	Agonist activity at human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence assay
50048138	2	ChEMBL_1628612 (CHEMBL3871197)	Agonist activity at human prostaglandin FP receptor expressed in CHO cells assessed as increase in intracellular calcium level by Fura 2-AM dye based fluorescence assay
50030776	1	ChEMBL_598847 (CHEMBL1044679)	Allosteric modulator activity at human mGlu4 receptor expressed in CHO cells coexpressing Gqi5 assessed as effect on calcium flux
50048138	3	ChEMBL_1628614 (CHEMBL3871199)	Agonist activity at human IP receptor expressed in CHO cells assessed as increase in intracellular cAMP level by HTRF method
50030778	1	ChEMBL_599079 (CHEMBL1044605)	Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level
50048138	4	ChEMBL_1628616 (CHEMBL3871201)	Agonist activity at EP4 receptor (unknown origin)
50030779	1	ChEMBL_599093 (CHEMBL1047148)	Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell
50030780	1	ChEMBL_599273 (CHEMBL1041001)	Inhibition of Carboxypeptidase A assessed as amount of Cl-CPL consumed by UV spectrometer
50030781	1	ChEMBL_599277 (CHEMBL1041005)	Agonist activity at human recombinant 5HT2B receptor assessed as induction of calcium mobilization by FLIPR assay
50030781	2	ChEMBL_599283 (CHEMBL1041011)	Displacement of dofrtilide from human ERG channel
50030781	3	ChEMBL_599284 (CHEMBL1041012)	Inhibition of 5HT3 receptor
50030781	5	ChEMBL_599286 (CHEMBL1041014)	Inhibition of muscarinic receptor 3
50030781	6	ChEMBL_599282 (CHEMBL1041010)	Agonist activity at 5-HT2A receptor in dog bladder strip
50030781	7	ChEMBL_599275 (CHEMBL1041003)	Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as induction of calcium mobilization by FLIPR assay
50030782	1	ChEMBL_599309 (CHEMBL1041037)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50030782	2	ChEMBL_599307 (CHEMBL1041035)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50030782	3	ChEMBL_599308 (CHEMBL1041036)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50030783	1	ChEMBL_599488 (CHEMBL1049024)	Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting
50048138	5	ChEMBL_1628615 (CHEMBL3871200)	Agonist activity at EP2 receptor (unknown origin)
50048139	1	ChEMBL_1628619 (CHEMBL3871204)	Inhibition of human recombinant myostatin expressed in HEK293 cells after 4 hrs by SBE4 based luciferase reporter gene assay
50048140	1	ChEMBL_1628621 (CHEMBL3871206)	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxyphenyl pyruvic acid as substrate preincubated for 20 mins followed by substrate addition measured for 175 sec by fluorescence based analysis
50048140	2	ChEMBL_1628623 (CHEMBL3871208)	Binding affinity to human MIF by fluorescence polarization assay
50030785	1	ChEMBL_599715 (CHEMBL1047321)	Antagonistic activity against NR2B receptor expressed in mouse Ltk cells assessed as inhibition of calcium influx by FLIPR assay
50030785	2	ChEMBL_599714 (CHEMBL1047320)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50030786	1	ChEMBL_599726 (CHEMBL1048170)	Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay
50048141	1	ChEMBL_1628625 (CHEMBL3871210)	Inhibition of human CYP11B2-CLE9 expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50048141	2	ChEMBL_1628626 (CHEMBL3871211)	Inhibition of human CYP11B1-8C7 expressed in chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50048142	1	ChEMBL_1628642 (CHEMBL3871227)	Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR assay
50048142	2	ChEMBL_1628644 (CHEMBL3871229)	Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR assay
50048142	3	ChEMBL_1628654 (CHEMBL3871239)	Inhibition of human ERG by patch clamp assay
50030788	1	ChEMBL_599955 (CHEMBL1048093)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by Betaplate scintillation counting
50030788	2	ChEMBL_599954 (CHEMBL1048092)	Inhibition of human ERG in L929 cells at 10 uM by whole cell patch-clamp assay
50030788	3	ChEMBL_599953 (CHEMBL1048091)	Inhibition of human ERG in L929 cells by whole cell patch-clamp assay
50030789	1	ChEMBL_600205 (CHEMBL1046363)	Inhibition of human MMP12 catalytic domain
50030790	1	ChEMBL_600206 (CHEMBL1046364)	Inhibition of EGFR-mediated poly(L-glutamic acid L-tyrosine) phosphorylation
50030791	1	ChEMBL_600324 (CHEMBL1038400)	Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting
50030791	2	ChEMBL_600323 (CHEMBL1038399)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus
50030792	1	ChEMBL_600332 (CHEMBL1039276)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells
50030793	1	ChEMBL_600346 (CHEMBL1041064)	Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells
50030793	2	ChEMBL_600347 (CHEMBL1041065)	Binding affinity to 5HT2C receptor expressed in HEK cells
50030793	3	ChEMBL_600348 (CHEMBL1041066)	Agonist activity at 5HT2A receptor expressed in HEK cells assessed as inhibition of serotonin-induced inositol phosphate accumulation
50030794	1	ChEMBL_600494 (CHEMBL1046441)	Inhibition of human mGluR2 receptor
50030794	2	ChEMBL_600495 (CHEMBL1046442)	Inhibition of human mGluR8 receptor
50048143	1	ChEMBL_1628658 (CHEMBL3871243)	Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50030794	5	ChEMBL_600491 (CHEMBL1046438)	Antagonist activity at human mGluR5 receptor expressed in CHO cells by FLIPR assay
50048144	1	ChEMBL_1628686 (CHEMBL3871312)	Inhibition of wild type recombinant human Abl using abtide as substrate by [gamma-32P]ATP based assay
50048144	2	ChEMBL_1628685 (CHEMBL3871311)	Inhibition of recombinant human Src using KVEKIGEGTYGVVYK as substrate by [gamma-32P]ATP based assay
50030796	1	ChEMBL_600518 (CHEMBL1049043)	Inhibition of human thrombin
50030797	1	ChEMBL_600521 (CHEMBL1049046)	Inhibition of Lck
50030798	1	ChEMBL_600621 (CHEMBL1043669)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum membrane after 30 mins by liquid scintillation counting
50030798	2	ChEMBL_600624 (CHEMBL1043672)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting
50030798	3	ChEMBL_600623 (CHEMBL1043671)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 20 mins by liquid scintillation counting
50030799	1	ChEMBL_600730 (CHEMBL1037442)	Displacement of [125I]PYY from human recombinant NPY Y5 receptor expressed in mouse LMtk cells
50030799	2	ChEMBL_600739 (CHEMBL1037451)	Inhibition of human NPY Y1 receptor
50030799	3	ChEMBL_600740 (CHEMBL1037452)	Inhibition of human NPY Y2 receptor
50030799	4	ChEMBL_600741 (CHEMBL1037453)	Inhibition of human NPY Y4 receptor
50030800	1	ChEMBL_600760 (CHEMBL1037472)	Binding affinity to human mu opioid receptor
50030801	1	ChEMBL_600767 (CHEMBL1037479)	Inhibition of human CYP3A4
50030802	1	ChEMBL_600772 (CHEMBL1037484)	Inhibition of human PKCtheta by IMAP kinase assay
50030802	2	ChEMBL_600775 (CHEMBL1037487)	Inhibition of human PKCdelta by IMAP kinase assay
50030802	3	ChEMBL_600773 (CHEMBL1037485)	Inhibition of PKCepsilon by IMAP kinase assay
50048144	3	ChEMBL_1628689 (CHEMBL3871315)	Inhibition of wild type Abl (unknown origin)
50030802	5	ChEMBL_600777 (CHEMBL1037489)	Inhibition of PKCbeta by IMAP kinase assay
50030802	6	ChEMBL_600778 (CHEMBL1037490)	Inhibition of PKCzeta by IMAP kinase assay
50030802	7	ChEMBL_600779 (CHEMBL1037491)	Inhibition of Lck
50030802	8	ChEMBL_600780 (CHEMBL1037492)	Inhibition of Lyn
50030802	9	ChEMBL_600782 (CHEMBL1037494)	Inhibition of MK2
50030802	10	ChEMBL_600784 (CHEMBL1037496)	Inhibition of ROCK1
50048145	1	ChEMBL_1628730 (CHEMBL3871356)	Inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linoleic acid addition by UV-absorbance analysis
50048145	2	ChEMBL_1628732 (CHEMBL3871358)	Competitive inhibition of human 15-LOX-1 assessed as reduction in conversion of linoleic acid to 13(S)-HpODE incubated for 10 mins followed by linoleic acid addition by Lineweaver-Burk plot analysis
50048146	1	ChEMBL_1628764 (CHEMBL3871390)	Agonist activity at PGI2 in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation
50048147	1	ChEMBL_1628824 (CHEMBL3871450)	Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by spectrofluorometric method
50048147	2	ChEMBL_1628825 (CHEMBL3871451)	Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by spectrofluorometric method
50048148	1	ChEMBL_1628935 (CHEMBL3871561)	Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method
50048148	2	ChEMBL_1628938 (CHEMBL3871564)	Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3]5-HT uptake
50030805	1	ChEMBL_597913 (CHEMBL1042698)	Displacement of [3H]SR141716A from rat brain CB1 receptor
50030805	2	ChEMBL_597914 (CHEMBL1042699)	Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay
50030805	3	ChEMBL_598027 (CHEMBL1046296)	Inhibition of CYP2C9
50030805	4	ChEMBL_598028 (CHEMBL1046297)	Inhibition of CYP2C19
50030805	5	ChEMBL_598029 (CHEMBL1046298)	Inhibition of CYP2D6
50030805	6	ChEMBL_598026 (CHEMBL1046295)	Inhibition of CYP1A2
50030805	7	ChEMBL_598025 (CHEMBL1046294)	Inhibition of CYP3A4
50030806	1	ChEMBL_598064 (CHEMBL1049754)	Agonist activity at gal4-tagged human FXR-ligand binding domain expressed in human HEK293 cells by luciferase reporter gene assay
50030807	1	ChEMBL_598089 (CHEMBL1049779)	Agonist activity at human recombinant 5HT2A receptor transfected in CHO K1 cells assessed as calcium mobilisation by FLIPR assay
50030807	2	ChEMBL_598090 (CHEMBL1049780)	Agonist activity at human recombinant 5HT2B receptor transfected in CHO K1 cells assessed as calcium mobilisation by FLIPR assay
50030807	3	ChEMBL_598091 (CHEMBL1049781)	Binding affinity to human ERG
50030807	4	ChEMBL_598082 (CHEMBL1049772)	Agonist activity at human recombinant 5HT2C receptor expressed in CHO K1 cells assessed as calcium mobilisation by FLIPR assay
50030808	1	ChEMBL_598188 (CHEMBL1045182)	Antagonist activity at rat mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50030808	2	ChEMBL_598186 (CHEMBL1045180)	Antagonist activity at human mGluR2 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50030808	3	ChEMBL_598187 (CHEMBL1045181)	Antagonist activity at human mGluR8 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50048149	1	ChEMBL_1628944 (CHEMBL3871570)	Inhibition of wild type TTR (unknown origin) assessed as inhibition of acid-mediated amyloidogenesis by measuring fibril formation preincubated with enzyme followed by amyloidogenesis stimulation by adjusting pH to 4.4 measured after 72 hrs relative to control
50048150	1	ChEMBL_1628970 (CHEMBL3871596)	Inhibition of recombinant N-terminal His6-tagged Aurora B (62 to 344 residues) (unknown origin) expressed in baculovirus expression system
50048150	2	ChEMBL_1628976 (CHEMBL3871602)	Inhibition of VEGFR2 (unknown origin)
50048150	3	ChEMBL_1628978 (CHEMBL3871604)	Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measured for 90 mins by Kinase-Glo luminescence assay
50030808	6	ChEMBL_598102 (CHEMBL1038284)	Antagonist activity at human mGluR5 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR
50030809	1	ChEMBL_598206 (CHEMBL1045200)	Inhibition of human CYP1A2
50030809	2	ChEMBL_598207 (CHEMBL1045201)	Inhibition of human CYP2C9
50030809	3	ChEMBL_598208 (CHEMBL1047870)	Inhibition of human CYP2C19
50030809	4	ChEMBL_598209 (CHEMBL1047871)	Inhibition of human CYP2D6
50030809	5	ChEMBL_598210 (CHEMBL1047872)	Inhibition of human CYP3A4
50030810	1	ChEMBL_598450 (CHEMBL1044409)	Inhibition of human sEH
50030810	2	ChEMBL_598451 (CHEMBL1044410)	Inhibition of rat sEH
50030810	3	ChEMBL_598457 (CHEMBL1044416)	Inhibition of human sEH assessed as DHET production in presence of 10% human serum
50030811	1	ChEMBL_598467 (CHEMBL1039991)	Inhibition of HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product
50048150	4	ChEMBL_1628980 (CHEMBL3871606)	Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system
50048150	5	ChEMBL_1628974 (CHEMBL3871600)	Inhibition of human recombinant full-length N-terminal GST-tagged Aurora C (1 to 275 end residues) expressed in baculovirus expression system using GLRRASLG-NH2 as substrate after 20 mins in presence of [gamma-33P]-ATP by liquid scintillation counting
50048150	6	ChEMBL_1628971 (CHEMBL3871597)	Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system
50048150	7	ChEMBL_1628973 (CHEMBL3871599)	Inhibition of human recombinant full-length N-terminal GST-tagged Aurora B (1 to 344 end residues) expressed in baculovirus expression system coexpressing His-tagged INCENP (803 to 918 end residues) using GLRRASLG-NH2 as substrate after 20 mins in presence of [gamma-33P]-ATP by liquid scintillation counting
50048150	8	ChEMBL_1628977 (CHEMBL3871603)	Inhibition of VEGFR3 (unknown origin)
50048150	9	ChEMBL_1628969 (CHEMBL3871595)	Inhibition of recombinant N-terminal His6-tagged Aurora A (1 to 403 residues) (unknown origin) expressed in baculovirus expression system
50048150	10	ChEMBL_1628975 (CHEMBL3871601)	Inhibition of VEGFR1 (unknown origin)
50048150	11	ChEMBL_1628972 (CHEMBL3871598)	Inhibition of human recombinant His-tagged Aurora A expressed in Escherichia coli using RRR(GLRRASLG)4R-NH2 as substrate after 40 mins in presence of [gamma-33P]-ATP by liquid scintillation counting
50048151	1	ChEMBL_1629009 (CHEMBL3871635)	Inhibition of 5-FAM-DPPLHSpTAI-OH binding to PLK1 polo-box domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) after 1 hr by fluorescence polarization assay
50048151	2	ChEMBL_1629008 (CHEMBL3871634)	Binding affinity to NT-647 labeled PLK1 polo-box domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) by microscale thermophoresis based fluorescence assay
50048151	3	ChEMBL_1629013 (CHEMBL3871639)	Inhibition of full-length PLK1 (unknown origin) expressed in Escherichia coli Rosetta (DE3) using ALMDASFADQ as substrate after 40 mins by fluorimetric kinase assay
50048152	1	ChEMBL_1629022 (CHEMBL3871648)	Inhibition of Entamoeba histolytica thioredoxin reductase
50048153	1	ChEMBL_1629116 (CHEMBL3871742)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes
50030814	1	ChEMBL_598692 (CHEMBL1050773)	Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells
50030814	2	ChEMBL_598693 (CHEMBL1050774)	Displacement of [125I]adrenomedullin from human cloned AM2 receptor expressed in B6 cells
50030814	3	ChEMBL_598696 (CHEMBL1050777)	Antagonist activity at human cloned CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-induced cAMP production
50030815	1	ChEMBL_599101 (CHEMBL1047156)	Inhibition of plasmin
50030815	2	ChEMBL_599100 (CHEMBL1047155)	Inhibition of tPA
50030815	3	ChEMBL_599341 (CHEMBL1042862)	Inhibition of uPA
50030816	1	ChEMBL_599107 (CHEMBL1047162)	Inhibition of WNV NS2B-NS3 protease by fluorescence assay
50030817	1	ChEMBL_599110 (CHEMBL1047165)	Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assay
50048154	1	ChEMBL_1629122 (CHEMBL3871748)	Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay
50048154	2	ChEMBL_1629125 (CHEMBL3871751)	Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay
50048154	3	ChEMBL_1629124 (CHEMBL3871750)	Inhibition of 5-FAM-DMRPEIWIAQELRRIGDEFNAYYARR binding to Bcl-XL (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition measured after 20 mins by fluorescence polarization assay
50048155	1	ChEBML_1629193	Inhibition of human KMO
50048155	2	ChEMBL_1629193 (CHEMBL3871819)	Inhibition of human KMO
50048156	1	ChEBML_1629221	Displacement of [leucine-3H]NT (8 to 13 residues) from human NTS2 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting
50048156	2	ChEBML_1629220	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by scintillation counting
50048156	3	ChEMBL_1629221 (CHEMBL3871847)	Displacement of [leucine-3H]NT (8 to 13 residues) from human NTS2 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting
50048156	4	ChEMBL_1629220 (CHEMBL3871846)	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by scintillation counting
50048157	1	ChEBML_1629227	Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting
50048157	7	ChEMBL_1629225 (CHEMBL3871851)	Agonist activity at 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintillation counting
50048157	3	ChEMBL_1629229 (CHEMBL3871855)	Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintillation counting
50048157	4	ChEBML_1629228	Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting
50048157	2	ChEMBL_1629228 (CHEMBL3871854)	Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting
50048157	5	ChEMBL_1629227 (CHEMBL3871853)	Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting
50048157	6	ChEBML_1629229	Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintillation counting
50048157	8	ChEMBL_1629223 (CHEMBL3871849)	Agonist activity at unedited 5-HT2C receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintillation counting
50048157	9	ChEMBL_1629231 (CHEMBL3871857)	Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting
50030821	1	ChEMBL_599856 (CHEMBL1043639)	Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting
50030821	2	ChEMBL_599857 (CHEMBL1043640)	Displacement of [125I]IL-8 from human CXCR1 expressed in mouse BaF3 cells by liquid scintillation counting
50030821	3	ChEMBL_599859 (CHEMBL1043642)	Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis
50030823	1	ChEMBL_598862 (CHEMBL1044694)	Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay
50030823	2	ChEMBL_598868 (CHEMBL1044700)	Inhibition of CYP2C9
50030824	1	ChEMBL_598879 (CHEMBL1046455)	Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay
50030824	2	ChEMBL_598880 (CHEMBL1047256)	Agonist activity at human recombinant 5HT2B receptor expressed in Swiss mouse 3T3 cells assessed as induction of calcium mobilization by FLIPR assay
50030824	3	ChEMBL_598887 (CHEMBL1047263)	Inhibition of human ERG
50030824	4	ChEMBL_598874 (CHEMBL1044706)	Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of calcium mobilization by FLIPR assay
50030824	5	ChEMBL_598878 (CHEMBL1046454)	Displacement of [3H]meselurgine from human recombinant 5HT2C receptor expressed in Swiss mouse 3T3 cells by SPA
50048158	1	ChEMBL_1629237 (CHEMBL3871863)	Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serotonin addition measured after 20 mins by liquid scintillation counting method
50048158	2	ChEMBL_1629238 (CHEMBL3871864)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis
50048158	3	ChEMBL_1629240 (CHEMBL3871866)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in formation of 1'-hydroxy-bufuralol from bufuralol preincubated with enzyme followed by substrate and beta-NADPH addition measured after 10 mins by LC-MS/MS analysis
50048158	4	ChEMBL_1629249 (CHEMBL3871875)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method
50048159	1	ChEMBL_1629275 (CHEMBL3871901)	Inhibition of rabbit thrombin-induced platelet aggregation in rabbit platelet-rich plasma preincubated with rabbit liver microsomes for 4 hrs followed by addition to platelet
50048159	2	ChEMBL_1629274 (CHEMBL3871900)	Inhibition of human thrombin assessed as reduction in release of free nitroaniline using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometer
50048159	3	ChEMBL_1629273 (CHEMBL3871899)	Inhibition of thrombin (unknown origin)
50048160	1	ChEBML_1629294	Inhibition of LYN (unknown origin)
50048160	2	ChEBML_1629279	Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATP
50048160	3	ChEBML_1629312	Inhibition of CYP3A4 (unknown origin)
50048160	4	ChEBML_1629311	Inhibition of CYP2C9 (unknown origin)
50048160	5	ChEBML_1629310	Inhibition of CYP2C19 (unknown origin)
50048160	6	ChEBML_1629314	Inhibition of CYP1A2 (unknown origin)
50048160	7	ChEBML_1629313	Inhibition of CYP2D6 (unknown origin)
50048160	8	ChEBML_1629293	Inhibition of KDR (unknown origin)
50048160	15	ChEMBL_1629314 (CHEMBL3871940)	Inhibition of CYP1A2 (unknown origin)
50048160	13	ChEMBL_1629288 (CHEMBL3871914)	Inhibition of Aurora 2 kinase (unknown origin)
50048160	16	ChEMBL_1629279 (CHEMBL3871905)	Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATP
50048160	17	ChEMBL_1629312 (CHEMBL3871938)	Inhibition of CYP3A4 (unknown origin)
50048160	18	ChEMBL_1629310 (CHEMBL3871936)	Inhibition of CYP2C19 (unknown origin)
50048160	19	ChEMBL_1629313 (CHEMBL3871939)	Inhibition of CYP2D6 (unknown origin)
50048160	11	ChEMBL_1629290 (CHEMBL3871916)	Inhibition of cSRC (unknown origin)
50048160	10	ChEMBL_1629292 (CHEMBL3871918)	Inhibition of FYN (unknown origin)
50048160	9	ChEMBL_1629291 (CHEMBL3871917)	Inhibition of FGFR1 (unknown origin)
50048160	14	ChEMBL_1629289 (CHEMBL3871915)	Inhibition of Aurora 1 kinase (unknown origin)
50048160	12	ChEMBL_1629295 (CHEMBL3871921)	Inhibition of YES (unknown origin)
50048160	20	ChEMBL_1629311 (CHEMBL3871937)	Inhibition of CYP2C9 (unknown origin)
50048161	1	ChEMBL_1629337 (CHEMBL3871963)	Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate measured after 10 to 80 mins by spectrophotometric method
50048162	1	ChEMBL_1629346 (CHEMBL3871972)	Inhibition of N-terminal His6-tagged DNMT3A (623 to 908 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) coexpressing DNMT3L (160 to 386 C-terminal residues) (unknown origin) assessed as reduction in oligonucleosome methylation preincubated for 15 mins followed by addition of [3H]-SAM measured after 4 hrs by liquid scintillation counting method
50048163	1	ChEMBL_1629362 (CHEMBL3871988)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by amplex red assay
50048163	2	ChEMBL_1629363 (CHEMBL3871989)	Inhibition of human recombinant BuChe using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50048163	3	ChEMBL_1629361 (CHEMBL3871987)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by amplex red assay
50048163	4	ChEMBL_1629364 (CHEMBL3871990)	Inhibition of mouse AChe using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50030827	1	ChEMBL_596665 (CHEMBL1048827)	Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50030827	2	ChEMBL_596666 (CHEMBL1048828)	Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay
50030827	3	ChEMBL_596667 (CHEMBL1048829)	Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50030827	4	ChEMBL_596664 (CHEMBL1046191)	Displacement of [125I]urotensin 2 from rat urotensin 2 receptor expressed in CHOK1 cells by scintillation proximity assay
50030828	1	ChEMBL_596682 (CHEMBL1049652)	Inhibition of ATM
50030828	2	ChEMBL_596681 (CHEMBL1049651)	Inhibition of PI3Kalpha kinase
50030828	3	ChEMBL_596680 (CHEMBL1049650)	Inhibition of mTOR kinase in human HeLa cells by ELISA
50030829	1	ChEMBL_596700 (CHEMBL1049670)	Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy
50030829	2	ChEMBL_596703 (CHEMBL1049673)	Agonist activity at CB2 receptor in rat cerebellar membrane assessed as WIN-55212-2-stimulated [35S]GTPgammaS binding after 6 hrs by scintillation spectrometry
50030829	3	ChEMBL_596698 (CHEMBL1049668)	Displacement of [3H]CP55960 from human cloned CB1 receptor after 120 mins by scintillation spectroscopy
50030830	1	ChEMBL_596923 (CHEMBL1048864)	Activation of human TAAR1 expressed in CHOK1 cells coexpressing Galpha16 assessed as calcium accumulation
50030831	1	ChEMBL_596934 (CHEMBL1048875)	Inhibition of serotonin reuptake at human serotonin transporter expressed in HEK293 cells after 5 mins by scintillation counting
50030831	2	ChEMBL_596935 (CHEMBL1048876)	Inhibition of noradrenaline reuptake at human noradrenaline transporter expressed in HEK293 cells after 15 mins by scintillation counting
50030831	3	ChEMBL_596936 (CHEMBL1048877)	Inhibition of dopamine reuptake at human dopamine transporter expressed in HEK293 cells after 5 mins by scintillation counting
50030831	4	ChEMBL_596933 (CHEMBL1048874)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50030832	1	ChEMBL_596937 (CHEMBL1048878)	Inhibition of human recombinant ACC 1 expressed in baculovirus expression system by FAS-coupled assay
50030832	2	ChEMBL_596938 (CHEMBL1048879)	Inhibition of human recombinant ACC 2 expressed in baculovirus expression system by FAS-coupled assay
50030833	1	ChEMBL_597142 (CHEMBL1048897)	Inhibition of CYP1A2
50030833	2	ChEMBL_597143 (CHEMBL1048898)	Inhibition of CYP2C9
50030833	3	ChEMBL_597144 (CHEMBL1048899)	Inhibition of CYP2C19
50030833	4	ChEMBL_597145 (CHEMBL1048900)	Inhibition of CYP2D6
50030833	5	ChEMBL_597146 (CHEMBL1048901)	Inhibition of CYP3A4
50030833	6	ChEMBL_597154 (CHEMBL1048909)	Agonist activity at human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells assessed as forskolin-induced cAMP production by luciferase assay
50030833	7	ChEMBL_597135 (CHEMBL1048890)	Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluorescein after 24 hrs by spectrofluorimetry
50030833	8	ChEMBL_597137 (CHEMBL1048892)	Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluorescein after 24 hrs by spectrofluorimetry
50030835	1	ChEMBL_597413 (CHEMBL1039899)	Inhibition of recombinant PI3Kdelta expressed in baculovirus-infected Sf21 cells
50030835	3	ChEMBL_597411 (CHEMBL1039897)	Inhibition of human recombinant PI3Kbeta expressed in baculovirus-infected Sf21 cells
50030836	1	ChEMBL_597420 (CHEMBL1039906)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50030837	1	ChEMBL_597591 (CHEMBL1050554)	Inhibition of mPGES1 in IL-1-beta-stimulated human A549 cells assessed as blockade of PGH2 to PGE2 conversion in presence of 50% fetal bovine serum
50030837	2	ChEMBL_597598 (CHEMBL1050561)	Inhibition of human PGES2
50030837	3	ChEMBL_597599 (CHEMBL1050562)	Inhibition of TX synthase
50030837	4	ChEMBL_597590 (CHEMBL1050553)	Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells
50030838	1	ChEMBL_597609 (CHEMBL1050572)	Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane
50030838	2	ChEMBL_597610 (CHEMBL1050573)	Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP
50030839	1	ChEMBL_597613 (CHEMBL1050576)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030839	2	ChEMBL_597614 (CHEMBL1039066)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030839	3	ChEMBL_597615 (CHEMBL1039067)	Inhibition of human recombinant carbonic anhydrase 9 catalytic domain expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030839	4	ChEMBL_597616 (CHEMBL1039068)	Inhibition of full length human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030839	5	ChEMBL_597617 (CHEMBL1039069)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030839	6	ChEMBL_597618 (CHEMBL1039070)	Inhibition of human recombinant carbonic anhydrase 14 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50030840	1	ChEMBL_597622 (CHEMBL1039074)	Inhibition of rat sEH
50030840	2	ChEMBL_597621 (CHEMBL1039073)	Inhibition of human soluble EH
50030840	3	ChEMBL_597619 (CHEMBL1039071)	Inhibition of soluble EH in human HepG2 cells by cellular assay
50048163	5	ChEMBL_1629378 (CHEMBL3872004)	Inhibition of human BuChe
50030842	1	ChEMBL_597644 (CHEMBL1039943)	Inhibition of MK2
50030842	2	ChEMBL_597647 (CHEMBL1039946)	Inhibition of ROCK1
50030842	3	ChEMBL_597635 (CHEMBL1039087)	Inhibition of human PKCtheta by IMAP kinase assay
50030842	4	ChEMBL_597636 (CHEMBL1039088)	Inhibition of PKCdelta by IMAP kinase assay
50030842	6	ChEMBL_597639 (CHEMBL1039938)	Inhibition of PKCepsilon by IMAP kinase assay
50030842	7	ChEMBL_597640 (CHEMBL1039939)	Inhibition of PKCbeta by IMAP kinase assay
50030842	8	ChEMBL_597641 (CHEMBL1039940)	Inhibition of PKCzeta by IMAP kinase assay
50030842	9	ChEMBL_597642 (CHEMBL1039941)	Inhibition of Lyn
50030842	10	ChEMBL_597643 (CHEMBL1039942)	Inhibition of Lck
50030843	1	ChEMBL_597655 (CHEMBL1039954)	Displacement of [3H]prazosin from rat salivary gland alpha1A adrenoceptor
50030843	2	ChEMBL_597656 (CHEMBL1039955)	Antagonist activity at rat alpha1A adrenoceptor assessed as inhibition of phenylephrine-induced contraction of caudal artery
50030844	1	ChEMBL_597669 (CHEMBL1039968)	Inhibition of recombinant CYP1A2
50030844	2	ChEMBL_597668 (CHEMBL1039967)	Inhibition of recombinant CYP2C19
50030844	3	ChEMBL_597666 (CHEMBL1039965)	Inhibition of recombinant CYP2C9
50030844	4	ChEMBL_597667 (CHEMBL1039966)	Inhibition of recombinant CYP2D6
50030844	5	ChEMBL_597665 (CHEMBL1039964)	Inhibition of recombinant CYP3A4 using benzyloxy-4-(trifluoromethyl)coumarin as substrate
50030844	6	ChEMBL_597664 (CHEMBL1039963)	Inhibition of recombinant CYP3A4 using 7-benzyloxyresorufin as substrate
50030844	7	ChEMBL_597671 (CHEMBL1039970)	Inhibition of human ERG by channel flux assay
50030845	1	ChEMBL_594562 (CHEMBL1037057)	Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracellular calcium level by FLIPR assay
50030845	2	ChEMBL_594563 (CHEMBL1037058)	Displacement of [3H]rauwolsine from human 5HT2B receptor
50030845	3	ChEMBL_594565 (CHEMBL1037060)	Displacement of [3H]MK-912 from human adrenergic alpha2A receptor
50030845	4	ChEMBL_594566 (CHEMBL1037061)	Displacement of [3H]prazosin from human adrenergic alpha1A receptor
50030845	5	ChEMBL_594567 (CHEMBL1037062)	Displacement of [3H]pyrilamine from human histamine H1 receptor
50030845	6	ChEMBL_594564 (CHEMBL1037059)	Displacement of [125I]LSD from human 5HT2B receptor
50030845	7	ChEMBL_594568 (CHEMBL1037063)	Inhibition of human 5HT1A
50030846	1	ChEMBL_594612 (CHEMBL1037909)	Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP production
50048164	1	ChEMBL_1629466 (CHEMBL3872092)	Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N HSQC NMR spectroscopy
50048165	1	ChEMBL_1629468 (CHEMBL3872094)	Inhibition of acetylcholinesterase (unknown origin) assessed as reduction in formation of 5-thio-2-nitrobenzoate from acetylthiocholine iodide preincubated for 15 mins followed by substrate addition measured after 30 mins by Ellman's method
50048166	1	ChEBML_1629477	Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene assay
50030848	1	ChEMBL_595037 (CHEMBL1042522)	Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission aggregometry
50030848	2	ChEMBL_595036 (CHEMBL1042521)	Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay
50030849	1	ChEMBL_595251 (CHEMBL1043603)	Inhibition of mushroom tyrosinase
50030850	1	ChEMBL_595268 (CHEMBL1043620)	Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor
50030850	2	ChEMBL_595267 (CHEMBL1043619)	Displacement of [125I]FK33824 from human cloned mu opioid receptor
50048166	2	ChEMBL_1629476 (CHEMBL3872102)	Agonist activity at GR in human HepG2 cells assessed as protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene assay
50048166	3	ChEMBL_1629477 (CHEMBL3872103)	Antagonist activity at GR in human HepG2 cells assessed as inhibition of protein mediated-transcriptional activity by MMTV-promoter driven luciferase reporter gene assay
50048167	1	ChEBML_1629493	Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by HTRF assay
50048167	2	ChEBML_1629494	Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by HTRF assay
50048167	3	ChEBML_1629491	Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by substrate addition after 3 hrs by HTRF assay
50048167	4	ChEBML_1629490	Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme addition measured after 30 mins by high throughput assay
50048167	13	ChEMBL_1629494 (CHEMBL3872120)	Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by HTRF assay
50048167	14	ChEMBL_1629493 (CHEMBL3872119)	Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by HTRF assay
50048167	15	ChEMBL_1629490 (CHEMBL3872116)	Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme addition measured after 30 mins by high throughput assay
50048167	11	ChEMBL_1629495 (CHEMBL3872121)	Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by substrate addition after 3 hrs by HTRF assay
50048167	10	ChEMBL_1629498 (CHEMBL3872124)	Inhibition of hepatic CYP2C9 (unknown origin)
50048167	12	ChEMBL_1629496 (CHEMBL3872122)	Inhibition of hepatic CYP3A4 (unknown origin)
50048167	16	ChEMBL_1629491 (CHEMBL3872117)	Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by substrate addition after 3 hrs by HTRF assay
50030852	1	ChEMBL_595288 (CHEMBL1047082)	Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR
50030852	2	ChEMBL_595290 (CHEMBL1047084)	Displacement of [3H]MLA from rat alpha7 nAChR
50048167	9	ChEMBL_1629497 (CHEMBL3872123)	Inhibition of hepatic CYP2D6 (unknown origin)
50048168	1	ChEMBL_1629512 (CHEMBL3872138)	Displacement of [3H]-LSD from human 5-HT6R expressed in CHO cell membranes by radioligand binding assay
50048168	2	ChEMBL_1629510 (CHEMBL3872136)	Displacement of [3H]-methyl-spiperone from human dopamine D2L receptor expressed in HEK293 cell membranes after 1 hr by radioligand binding assay
50048168	3	ChEMBL_1629511 (CHEMBL3872137)	Displacement of [3H]-methyl-spiperone from human dopamine D3 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting
50048169	1	ChEMBL_1629516 (CHEMBL3872142)	Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed as beta-arrestin recruitment after 90 mins by luminescence assay
50048169	2	ChEMBL_1629515 (CHEMBL3872141)	Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay
50048169	3	ChEMBL_1629518 (CHEMBL3872144)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay
50048169	4	ChEMBL_1629536 (CHEMBL3872162)	Agonist activity at mouse GPR120 expressed in human U2OS cells assessed as beta-arrestin recruitment after 90 mins by luminescence assay
50048169	5	ChEMBL_1629541 (CHEMBL3872167)	Inhibition of human CYP3A4
50048169	6	ChEMBL_1629535 (CHEMBL3872161)	Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as increase in IP1 accumulation after 60 mins by HTRF assay
50048169	7	ChEMBL_1629543 (CHEMBL3872169)	Inhibition of human CYP2C9
50030855	1	ChEMBL_595486 (CHEMBL1046105)	Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production after 5 mins by scintillation proximity assay
50030855	2	ChEMBL_595487 (CHEMBL1046106)	Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production after 5 mins in presence of 50% human serum by scintillation proximity assay
50030855	3	ChEMBL_595485 (CHEMBL1046104)	Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting
50030856	1	ChEMBL_595521 (CHEMBL1048756)	Inhibition of XIAP BIR3 domain by competitive fluorescence polarization binding assay
50030857	1	ChEMBL_595635 (CHEMBL1038130)	Inhibition of c-Met by HTRF assay
50030857	2	ChEMBL_595637 (CHEMBL1038132)	Inhibition of human CYP3A4
50030857	3	ChEMBL_595638 (CHEMBL1038133)	Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH
50030857	4	ChEMBL_595636 (CHEMBL1038131)	Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay
50030857	5	ChEMBL_595654 (CHEMBL1038976)	Inhibition of human ERG
50030858	1	ChEMBL_595663 (CHEMBL1041726)	Inhibition of human SFRP1 transfected in human U20S cells by TCF-luciferase reporter gene assay
50030858	2	ChEMBL_595668 (CHEMBL1041731)	Binding affinity to human SFRP1 by fluorescence spectroscopy
50048169	8	ChEMBL_1629537 (CHEMBL3872163)	Agonist activity at mouse GPR40 assessed as increase in IP1 accumulation after 60 mins by HTRF assay
50048169	9	ChEMBL_1629539 (CHEMBL3872165)	Inhibition of Nav1.5 (unknown origin)
50048169	10	ChEMBL_1629540 (CHEMBL3872166)	Inhibition of Cav1.2 (unknown origin)
50048169	11	ChEMBL_1629542 (CHEMBL3872168)	Inhibition of human CYP2D6
50048170	1	ChEMBL_1629933 (CHEMBL3872639)	Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate after 6 hrs by spectrophotometry
50048170	2	ChEMBL_1629931 (CHEMBL3872637)	Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate after 30 mins in presence of catalase by methylene blue dye based assay
50048170	3	ChEMBL_1629928 (CHEMBL3872634)	Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of varying concentration of L-tryptophan substrate after 30 mins
50048170	4	ChEMBL_1629938 (CHEMBL3872644)	Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate after 30 mins in presence of catalase
50048170	5	ChEMBL_1629929 (CHEMBL3872635)	Non-competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of varying concentration of L-tryptophan substrate after 30 mins
50048170	6	ChEMBL_1629927 (CHEMBL3872633)	Competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of varying concentration of L-tryptophan substrate after 30 mins
50048170	7	ChEMBL_1629930 (CHEMBL3872636)	Mixed competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of varying concentration of L-tryptophan substrate after 30 mins
50048171	1	ChEBML_1630051	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50048171	2	ChEBML_1630050	Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50048171	3	ChEBML_1630049	Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50048171	4	ChEBML_1630052	Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50048171	41	ChEMBL_1630051 (CHEMBL3872757)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50048171	42	ChEMBL_1630050 (CHEMBL3872756)	Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50048171	43	ChEMBL_1630052 (CHEMBL3872758)	Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50048171	44	ChEMBL_1630049 (CHEMBL3872755)	Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50048171	40	ChEMBL_1630070 (CHEMBL3872776)	Agonist activity at D3 receptor (unknown origin) expressed in cell membranes after 40 mins by [35S]GTPgammaS binding assay
50048171	33	ChEMBL_1630068 (CHEMBL3872774)	Antagonistic activity at D2 receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of dopamine-induced calcium flux by fluo-4 dye based FLIPR assay
50048171	38	ChEMBL_1630072 (CHEMBL3872778)	Agonist activity at 5-HT2A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by Fluo-4 dye based FLIPR assay
50048171	39	ChEMBL_1630063 (CHEMBL3872769)	Agonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by fluo-4 dye based FLIPR assay
50048171	37	ChEMBL_1630077 (CHEMBL3872783)	Antagonistic activity at 5-HT1A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induced calcium flux by Fluo-4 based FLIPR assay
50048171	36	ChEMBL_1630076 (CHEMBL3872782)	Antagonistic activity at 5-HT2A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induced calcium flux by Fluo-4 based FLIPR assay
50048171	32	ChEMBL_1630057 (CHEMBL3872763)	Inhibition of recombinant human ERG expressed in CHOK1 cells at -80 mV holding potential after 2 mins by patch clamp assay
50030860	1	ChEMBL_596154 (CHEMBL1044493)	Inhibition of p38alpha by FRET assay
50030860	2	ChEMBL_596155 (CHEMBL1044494)	Inhibition of p38beta by FRET assay
50030860	3	ChEMBL_596158 (CHEMBL1044497)	Inhibition of human MAP4K4 by FRET assay
50030861	1	ChEMBL_596305 (CHEMBL1037400)	Inhibition of human recombinant his tagged HDAC4 expressed in baculovirus
50030861	2	ChEMBL_596304 (CHEMBL1037399)	Inhibition of human recombinant HDAC1 expressed in baculovirus
50030862	1	ChEMBL_596521 (CHEMBL1039009)	Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay
50030862	2	ChEMBL_596524 (CHEMBL1039012)	Inhibition of DPP7
50030862	3	ChEMBL_596526 (CHEMBL1039014)	Inhibition of human DPP9 expressed in baculovirus system after 30 mins by continuous fluorescent assay
50030862	4	ChEMBL_596527 (CHEMBL1039015)	Inhibition of human POP expressed in Escherichia coli after 30 mins by continuous fluorescent assay
50030862	5	ChEMBL_596525 (CHEMBL1039013)	Inhibition of human DPP8 expressed in baculovirus system after 15 mins by continuous fluorescent assay
50030863	1	ChEMBL_596744 (CHEMBL1039032)	Inhibition of Clk4
50030863	2	ChEMBL_596745 (CHEMBL1039033)	Binding affinity to Clk1 assessed as dissociation constant
50030863	3	ChEMBL_596746 (CHEMBL1039034)	Binding affinity to Clk2 assessed as dissociation constant
50030863	4	ChEMBL_596747 (CHEMBL1039035)	Binding affinity to Clk3 assessed as dissociation constant
50030863	5	ChEMBL_596748 (CHEMBL1039036)	Binding affinity to Clk4 assessed as dissociation constant
50030863	6	ChEMBL_596749 (CHEMBL1039037)	Binding affinity to CSNK1D assessed as dissociation constant
50030863	7	ChEMBL_596750 (CHEMBL1039038)	Binding affinity to CSNK1E assessed as dissociation constant
50030863	8	ChEMBL_596751 (CHEMBL1039039)	Binding affinity to CSNK1G2 assessed as dissociation constant
50030863	9	ChEMBL_596752 (CHEMBL1039040)	Binding affinity to CSNK1G3 assessed as dissociation constant
50030863	10	ChEMBL_596753 (CHEMBL1039041)	Binding affinity to Dyrk1A assessed as dissociation constant
50030863	11	ChEMBL_596754 (CHEMBL1039042)	Binding affinity to Dyrk1B assessed as dissociation constant
50030863	12	ChEMBL_596755 (CHEMBL1039043)	Binding affinity to PIM1 assessed as dissociation constant
50030863	13	ChEMBL_596756 (CHEMBL1039044)	Binding affinity to PIM3 assessed as dissociation constant
50030863	14	ChEMBL_596757 (CHEMBL1039045)	Binding affinity to Ysk4 assessed as dissociation constant
50030863	15	ChEMBL_596758 (CHEMBL1039046)	Binding affinity to EGFR assessed as dissociation constant
50030865	1	ChEMBL_596964 (CHEMBL1038201)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane
50030865	2	ChEMBL_596971 (CHEMBL1038208)	Binding affinity to human CB2 receptor expressed in CHO cells by luciferase reporter gene assay
50030865	3	ChEMBL_596965 (CHEMBL1038202)	Displacement of [3H]WIN-552122 from human CB2 receptor expressed in CHOK1 cells
50030867	1	ChEMBL_597250 (CHEMBL1043427)	Inhibition of Dkk1-mediated Wnt/beta-casein signaling in osteosarcoma cells assessed as potentiation of TCF-luciferase response
50030867	2	ChEMBL_597251 (CHEMBL1043428)	Inhibition of GSK3-beta
50030868	1	ChEMBL_597270 (CHEMBL1043447)	Inhibition of erythropoietin-stimulated STAT5 expressed in human U2OS cells
50030868	2	ChEMBL_597271 (CHEMBL1043448)	Inhibition of CDK2
50048171	34	ChEMBL_1630069 (CHEMBL3872775)	Antagonistic activity at D3 receptor (unknown origin) expressed in cell membranes assessed as inhibition of quinpirole-induced response after 40 mins by [35S]GTPgammaS binding assay
50030868	4	ChEMBL_597273 (CHEMBL1043450)	Inhibition of TRKA
50030868	6	ChEMBL_597274 (CHEMBL1043451)	Inhibition of JAK2 using 2 mM ATP as a substrate
50048171	35	ChEMBL_1630065 (CHEMBL3872771)	Agonist activity at 5-HT1A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 by Fluo-4 dye based FLIPR assay
50030868	7	ChEMBL_597276 (CHEMBL1043453)	Inhibition of JAK3 using 5 mM ATP as a substrate
50048172	1	ChEMBL_1630234 (CHEMBL3872940)	Inhibition of IKKbeta (unknown origin)
50048173	1	ChEMBL_1630250 (CHEMBL3872956)	Inhibition of CYP2C9 in human liver microsomes using (S)-warfarin as substrate at after 30 mins by LC-MS/MS analysis
50048174	1	ChEMBL_1630267 (CHEMBL3872973)	Inhibition of Leishmania major recombinant N-terminal hexa-His tagged PTR1 catalytic activity expressed in Escherichia coli BL21(DE3) using biopterin as substrate measured for 60 sec in presence of NADPH by UV-visible spectrophotometric method relative to control
50048175	1	ChEMBL_1630275 (CHEMBL3872981)	Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method
50048175	2	ChEMBL_1630274 (CHEMBL3872980)	Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method
50048175	3	ChEMBL_1630280 (CHEMBL3872986)	Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method
50048176	1	ChEMBL_1630555 (CHEMBL3873261)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b in presence of varying levels of glucose-1-phosphate and constant concentration of glycogen and AMP by double reciprocal plot method
50048176	2	ChEMBL_1630548 (CHEMBL3873254)	Competitive inhibition of His6-tagged human liver glycogen phosphorylase-a expressed in Escherichia coli BL21 Gold (DE3) assessed as release of inorganic phosphate using varying levels of glucose-1-phosphate and constant concentration of AMP and glycogen measured after 1 min by Dixon plot method
50048176	3	ChEMBL_1630557 (CHEMBL3873263)	Inhibition of rabbit muscle glycogen phosphorylase-b
50048176	4	ChEMBL_1630547 (CHEMBL3873253)	Competitive inhibition of rabbit muscle glycogen phosphorylase-a in presence of varying levels of glucose-1-phosphate and constant concentration of glycogen by Hill plot analysis
50048176	5	ChEMBL_1630552 (CHEMBL3873258)	Inhibition of rabbit muscle glycogen phosphorylase-b after 1 min in presence of varying levels of glucose-1-phosphate and constant concentration of glycogen and AMP by double reciprocal plot method
50048176	6	ChEMBL_1630550 (CHEMBL3873256)	Competitive inhibition of rabbit muscle glycogen phosphorylase-a assessed as release of inorganic phosphate using varying levels of glucose-1-phosphate and constant concentration of AMP and glycogen measured after 1 min by Dixon plot method
50048176	7	ChEMBL_1630554 (CHEMBL3873260)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b assessed as release of inorganic phosphate using varying levels of glucose-1-phosphate and constant concentration of AMP and glycogen measured at 1 min time interval for 1 to 5 mins by Hill plot method
50048176	8	ChEMBL_1630551 (CHEMBL3873257)	Inhibition of rabbit muscle glycogen phosphorylase-b assessed as release of inorganic phosphate from glucose-1-phosphate in presence of AMP and glycogen
50048176	9	ChEMBL_1630545 (CHEMBL3873251)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b in presence of varying glucose-1-phosphate levels and NADP
50048177	1	ChEMBL_1630568 (CHEMBL3873274)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs
50048177	2	ChEMBL_1630565 (CHEMBL3873271)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs
50048177	3	ChEMBL_1630576 (CHEMBL3873282)	Agonist activity at CB2 receptor (unknown origin)
50030870	1	ChEMBL_597720 (CHEMBL1043507)	Inhibition of B-Raf
50048177	4	ChEMBL_1630575 (CHEMBL3873281)	Agonist activity at CB1 receptor (unknown origin)
50048177	5	ChEMBL_1630577 (CHEMBL3873283)	Inverse agonist activity at CB2 receptor (unknown origin)
50030872	1	ChEMBL_594887 (CHEMBL1038938)	Inhibition of CYP3A4
50030872	2	ChEMBL_594888 (CHEMBL1038939)	Inhibition of CYP2C9
50030872	3	ChEMBL_594889 (CHEMBL1038940)	Inhibition of CYP2D6
50030873	1	ChEMBL_594896 (CHEMBL1038947)	Displacement of [3H]LSD from human HT6 receptor expressed in human HeLa cells
50030873	2	ChEMBL_594898 (CHEMBL1038949)	Agonist activity at human HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP level by radioimmunoassay
50030873	3	ChEMBL_594897 (CHEMBL1038948)	Antagonistic activity at human HT6 receptor expressed in HeLa cells assessed as intracellular cAMP level by radioimmunoassay
50030875	1	ChEMBL_595106 (CHEMBL1047966)	Inhibition of recombinant vaccina H1-related phosphatase
50030875	2	ChEMBL_595104 (CHEMBL1047964)	Inhibition of recombinant CD45
50030875	3	ChEMBL_595105 (CHEMBL1047965)	Inhibition of recombinant PTP1B
50030875	4	ChEMBL_595101 (CHEMBL1047961)	Inhibition of recombinant MKP1
50030875	5	ChEMBL_595103 (CHEMBL1047963)	Inhibition of recombinant HePTP
50030875	6	ChEMBL_595099 (CHEMBL1047959)	Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menten kinetic studies
50030875	7	ChEMBL_595102 (CHEMBL1047962)	Inhibition of recombinant Cdc25a
50030877	1	ChEMBL_595125 (CHEMBL1050612)	Inhibition of human recombinant Src
50030877	2	ChEMBL_595122 (CHEMBL1050609)	Inhibition of human recombinant P38alpha
50030877	3	ChEMBL_595121 (CHEMBL1050608)	Inhibition of human recombinant Abl
50030877	4	ChEMBL_595126 (CHEMBL1050613)	Inhibition of human recombinant C-Kit
50030878	1	ChEMBL_595350 (CHEMBL1050643)	Inhibition of human SGLT2 transfected in HEK293.ETN cells assessed as AMG uptake after 1.5 hrs by scintillation counting
50030878	2	ChEMBL_595351 (CHEMBL1050644)	Inhibition of human SGLT1 transfected in COS-7 cells assessed as AMG uptake after 2 hrs by scintillation counting
50030879	1	ChEMBL_595361 (CHEMBL1050654)	Inhibition of GST-fused recombinant VEGFR2 expressed in baculovirus infected Sf9 cells after 10 mins by DELFIA assay
50030879	2	ChEMBL_595362 (CHEMBL1050655)	Inhibition of GST-fused recombinant C-met expressed in baculovirus infected high five cells after 30 mins by DELFIA assay
50030879	3	ChEMBL_595363 (CHEMBL1050656)	Inhibition of TPR-met autophosphorylation expressed in HEK293T cells after 150 mins by ELISA
50030879	4	ChEMBL_595373 (CHEMBL1050666)	Inhibition of VEGFR2 assessed as inhibition of ERK phosphorylation
50030880	1	ChEMBL_595396 (CHEMBL1039195)	Inhibition of human FLAG-tagged mTOR expressed in HEK293 cells after 2 hrs by DELFIA
50030880	2	ChEMBL_595397 (CHEMBL1039196)	Binding affinity to PI3Kalpha by fluorescence polarization assay
50030880	3	ChEMBL_595401 (CHEMBL1039200)	Inhibition of PI3Kbeta
50030880	4	ChEMBL_595402 (CHEMBL1039201)	Inhibition of PI3Kgamma
50030880	5	ChEMBL_595403 (CHEMBL1039202)	Inhibition of PI3Kdelta
50048178	1	ChEMBL_1630578 (CHEMBL3873284)	Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay
50048178	2	ChEMBL_1630581 (CHEMBL3873287)	Displacement of Fluoromone from GST-tagged recombinant human PPARgamma ligand binding domain by LanthaScreen TR-FRET assay
50048179	1	ChEBML_1630588	Agonist activity at CREB-LBD and GAL4-DBD fused human GPR119 expressed in HEK293 cells by luciferase reporter gene assay
50048179	2	ChEBML_1630586	Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr
50048179	3	ChEMBL_1630586 (CHEMBL3873292)	Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr
50030882	1	ChEMBL_595724 (CHEMBL1045247)	Inhibition of human somatic ACE C-terminal domain
50030882	2	ChEMBL_595725 (CHEMBL1045248)	Inhibition of human somatic NEP
50030882	3	ChEMBL_595726 (CHEMBL1045249)	Inhibition of human somatic ECE1
50030882	4	ChEMBL_595733 (CHEMBL1045256)	Inhibition of human somatic ACE in presence of buffer
50030882	5	ChEMBL_595729 (CHEMBL1045252)	Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma
50030882	6	ChEMBL_595728 (CHEMBL1045251)	Inhibition of human somatic ACE in presence of 1:50 diluted SHR rat plasma
50030882	7	ChEMBL_595730 (CHEMBL1045253)	Inhibition of human somatic ACE in presence of 1:100 diluted SHR rat plasma complemented with 5 uM serum albumin
50030882	8	ChEMBL_595727 (CHEMBL1045250)	Inhibition of human MMP13
50030882	9	ChEMBL_595734 (CHEMBL1045257)	Inhibition of human somatic ACE N-terminal domain
50048179	4	ChEMBL_1630588 (CHEMBL3873294)	Agonist activity at CREB-LBD and GAL4-DBD fused human GPR119 expressed in HEK293 cells by luciferase reporter gene assay
50048180	1	ChEMBL_1630606 (CHEMBL3873312)	Inhibition of heat induced hen egg white lysozyme amyloid fibril formation at pH 2.5 after 48 hrs by Thioflavin T fluorescence based spectrophotometry
50048181	1	ChEMBL_1630617 (CHEMBL3873323)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed by arachidonic acid substrate addition by UV-vis spectrophotometry
50048181	2	ChEMBL_1630629 (CHEMBL3873335)	Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addition for 24 hrs by ELISA
50048181	3	ChEMBL_1630645 (CHEMBL3873351)	Inhibition of mPGES1 in human A549 cells assessed as reduction in PGE2 production
50048181	4	ChEMBL_1630646 (CHEMBL3873352)	Inhibition of COX-1 (unknown origin)
50048182	1	ChEMBL_1630656 (CHEMBL3873362)	Positive allosteric modulation of human recombinant GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells assessed as potentiation of of GABA induced chloride currents treated every 60 secs measured for 7 secs by electrophysiological method
50048183	1	ChEMBL_1630871 (CHEMBL3873577)	Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by substrate addition measured after 1 min in presence of GSH
50048183	2	ChEMBL_1630872 (CHEMBL3873578)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1beta stimulation for 16 to 20 hrs in presence of 2% fetal bovine serum by HTRF assay
50048183	3	ChEMBL_1630873 (CHEMBL3873579)	Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated followed by LPS stimulation for 20 to 24 hrs
50048183	4	ChEMBL_1630870 (CHEMBL3873576)	Inhibition of human recombinant membrane bound mPGES-1 assessed as reduction in conversion of PGH2 to PGE2 by measuring MDA and 12-HHT formation by fluorescence assay
50048183	5	ChEMBL_1630919 (CHEMBL3873625)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta-induced PGF2alpha production incubated for 24 hrs by enzyme immunoassay
50030884	1	ChEMBL_595760 (CHEMBL1045283)	Inhibition of human leukocyte elastase after 20 mins
50030885	1	ChEMBL_595793 (CHEMBL1048800)	Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorimetry
50030885	2	ChEMBL_595792 (CHEMBL1048799)	Inhibition of Trypanosoma cruzi cruzain by quantitative high throughput screening
50030886	1	ChEMBL_595796 (CHEMBL1048803)	Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burke plot analysis
50030886	2	ChEMBL_595795 (CHEMBL1048802)	Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis
50030886	3	ChEMBL_595794 (CHEMBL1048801)	Inhibition of Trypanosoma cruzi cruzain after 15 mins
50030887	1	ChEMBL_595938 (CHEMBL1041787)	Inhibition of Helicobacter pylori DHQ2 by UV spectroscopy
50048183	6	ChEMBL_1630885 (CHEMBL3873591)	Inhibition of CYP2D6 in human liver microsomes after 20 mins in presence of NADPH by LC/MS/MS analysis
50048183	7	ChEMBL_1630929 (CHEMBL3873635)	Inhibition of human mPGES-1 expressed in Sf9 insect cells assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins followed by substrate addition measured after 1 min by HTRF assay
50048183	8	ChEMBL_1630922 (CHEMBL3873628)	Inhibition of mouse mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by substrate addition measured after 1 min
50048183	9	ChEMBL_1630928 (CHEMBL3873634)	Inhibition of recombinant human mPGES-1 expressed in Escherichia coli Rosetta microsomes assessed as reduction in conversion of PGH2 to PGE2 incubated for 25 mins followed by substrate addition measured after 60 sec by HTRF assay
50048184	1	ChEMBL_1630970 (CHEMBL3873676)	Inhibition of full length recombinant human N-terminal His6-tagged PYK2 expressed in baculovirus infected sf21 cells
50048184	2	ChEMBL_1630971 (CHEMBL3873677)	Inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(Glu/Tyr) as substrate in presence of ATP
50048184	3	ChEMBL_1630977 (CHEMBL3873683)	Reversible/competitive inhibition of NH2-terminal His6-tagged FAK kinase domain (410 to 689 residues) (unknown origin) expressed in baculovirus infected sf9 cells using p(Glu/Tyr) as substrate in presence of ATP
50048185	1	ChEMBL_1631038 (CHEMBL3873744)	Inhibition of Stat1 (unknown origin) expressed in LPS/INF-gamma-stimulated human MONO-MAC-6 cells assessed as reduction in GAS dependent transcription activity measured after 4 hrs by luciferase reporter gene assay
50048186	4	ChEMBL_1631102 (CHEMBL3873808)	Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by spectrophotometer
50048186	2	ChEBML_1631102	Inhibition of porcine pancreatic lipase assessed as reduction in 4-nitrophenol formation from 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by spectrophotometer
50048186	3	ChEBML_1631109	Inhibition of pancreatic lipase (unknown origin)
50048186	1	ChEMBL_1631106 (CHEMBL3873812)	Competitive inhibition of porcine pancreatic lipase 4-nitrophenyl butyrate substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by Dixon plot method
50048187	1	ChEMBL_1631168 (CHEMBL3873874)	Positive allosteric modulation of recombinant human mGlu2 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as potentiation of glutamate-induced intracellular calcium level measured after 24 to 48 hrs by FLIPR assay
50048187	2	ChEMBL_1631170 (CHEMBL3873876)	Antagonist activity at human CysLT1 receptor expressed in Syrian hamster AV12-664 cells assessed as decrease in LTD4-induced intracellular calcium level pretreated followed by LTD4 addition by fluo-3 dye based FLIPR assay
50048187	3	ChEMBL_1631189 (CHEMBL3873895)	Antagonist activity at recombinant human mGlu1 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as inhibition of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	4	ChEMBL_1631196 (CHEMBL3873902)	Agonist activity at recombinant human mGlu5 expressed in hamster AV12 cells expressing EAAT1 assessed as increase in intracellular calcium level measured after 24 hrs by FLIPR assay
50048187	5	ChEMBL_1631220 (CHEMBL3873926)	Activity at human 5HT1A receptor
50048187	6	ChEMBL_1631225 (CHEMBL3873931)	Activity at human 5HT2A receptor
50048187	7	ChEMBL_1631197 (CHEMBL3873903)	Positive allosteric modulation of recombinant human mGlu5 expressed in hamster AV12 cells expressing EAAT1 assessed as potentiation of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	8	ChEMBL_1631231 (CHEMBL3873937)	Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells after 120 mins by scintillation counting method
50048187	9	ChEMBL_1631230 (CHEMBL3873936)	Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO cells after 120 mins by scintillation counting method
50048187	10	ChEMBL_1631187 (CHEMBL3873893)	Agonist activity at recombinant human mGlu1 expressed in hamster AV12 cells expressing EAAT1 assessed as increase in intracellular calcium level measured after 24 hrs by FLIPR assay
50048187	11	ChEMBL_1631190 (CHEMBL3873896)	Agonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as increase in intracellular calcium level measured after 24 to 48 hrs by FLIPR assay
50048187	12	ChEMBL_1631193 (CHEMBL3873899)	Positive allosteric modulation of recombinant human mGlu3 expressed in hamster AV12 cells expressing EAAT1 assessed as potentiation of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	13	ChEMBL_1631194 (CHEMBL3873900)	Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as inhibition of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	14	ChEMBL_1631221 (CHEMBL3873927)	Activity at human 5HT1B receptor
50048187	15	ChEMBL_1631224 (CHEMBL3873930)	Activity at human 5HT1F receptor
50048187	16	ChEMBL_1631227 (CHEMBL3873933)	Activity at human 5T2C receptor
50048187	17	ChEMBL_1631229 (CHEMBL3873935)	Displacement of human 5HT5A receptor expressed in HEK293 cells after 120 mins by scintillation counting method
50048187	18	ChEMBL_1631228 (CHEMBL3873934)	Displacement of human recombinant 5HT4E receptor expressed in CHO cells after 60 mins by scintillation counting method
50048187	19	ChEMBL_1631192 (CHEMBL3873898)	Agonist activity at recombinant human mGlu3 expressed in hamster AV12 cells expressing EAAT1 assessed as increase in intracellular calcium level measured after 24 hrs by FLIPR assay
50048187	20	ChEMBL_1631167 (CHEMBL3873873)	Antagonist activity at recombinant human mGlu5 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as inhibition of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	21	ChEMBL_1631188 (CHEMBL3873894)	Positive allosteric modulation of recombinant human mGlu1 expressed in hamster AV12 cells expressing EAAT1 assessed as potentiation of glutamate-induced intracellular Ca2+ level measured after 24 hrs by FLIPR assay
50048187	22	ChEMBL_1631222 (CHEMBL3873928)	Activity at human 5HT1D receptor
50048187	23	ChEMBL_1631226 (CHEMBL3873932)	Activity at human 5T2B receptor
50048187	24	ChEMBL_1631191 (CHEMBL3873897)	Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells expressing EAAT1 assessed as inhibition of glutamate-induced increase in intracellular Ca2+ level measured after 24 to 48 hrs by FLIPR assay
50048187	25	ChEMBL_1631223 (CHEMBL3873929)	Activity at human 5HT1E receptor
50048188	1	ChEMBL_1631535 (CHEMBL3874241)	Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay
50048189	1	ChEBML_1631942	Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate and TMPD addition measured after 5 mins by colorimetric assay
50048189	2	ChEBML_1631941	Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate and TMPD addition measured after 5 mins by colorimetric assay
50048189	3	ChEMBL_1631941 (CHEMBL3874647)	Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate and TMPD addition measured after 5 mins by colorimetric assay
50048189	4	ChEMBL_1631942 (CHEMBL3874648)	Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate and TMPD addition measured after 5 mins by colorimetric assay
50048190	1	ChEMBL_1631970 (CHEMBL3874676)	Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay
50048190	2	ChEMBL_1631961 (CHEMBL3874667)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50048190	3	ChEMBL_1631968 (CHEMBL3874674)	Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay
50048190	4	ChEMBL_1631980 (CHEMBL3874686)	Inhibition of rat serum BuChE measured after 15 mins by Ellman's method
50048191	1	ChEMBL_1631985 (CHEMBL3874691)	Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay
50048191	2	ChEMBL_1631997 (CHEMBL3874703)	Inhibition of CYP2C9 (unknown origin)
50048191	3	ChEMBL_1631999 (CHEMBL3874705)	Inhibition of CYP3A4 (unknown origin)
50048191	4	ChEMBL_1632009 (CHEMBL3874715)	Displacement of [3H]-N-Methylscopolamine from human M1 receptor expressed in CHOK1 cells
50048191	5	ChEMBL_1632012 (CHEMBL3874718)	Binding affinity to human M5 receptor by radio-ligand binding assay
50048191	6	ChEMBL_1632014 (CHEMBL3874720)	Binding affinity to rat M2 receptor by radio-ligand binding assay
50048191	7	ChEMBL_1632016 (CHEMBL3874722)	Binding affinity to rat M5 receptor by radio-ligand binding assay
50048191	8	ChEMBL_1632021 (CHEMBL3874727)	Inhibition of ghrelin receptor (unknown origin) by radioligand binding assay
50048191	9	ChEMBL_1632011 (CHEMBL3874717)	Displacement of [3H]-N-Methylscopolamine from human M3 receptor expressed in CHOK1 cells
50048191	10	ChEMBL_1631989 (CHEMBL3874695)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay
50048191	11	ChEMBL_1632010 (CHEMBL3874716)	Displacement of [3H]-N-Methylscopolamine from human M2 receptor expressed in CHOK1 cells
50048191	12	ChEMBL_1632018 (CHEMBL3874724)	Displacement of [125I]-RTI-55 from recombinant human DAT expressed in CHO-S cells
50048191	13	ChEMBL_1632017 (CHEMBL3874723)	Binding affinity to human Cav1.2 by radio-ligand binding assay
50048191	14	ChEMBL_1631981 (CHEMBL3874687)	Positive allosteric modulation of human M4 receptor
50048191	15	ChEMBL_1632019 (CHEMBL3874725)	Displacement of [3H]-Paroxetine from recombinant human SERT expressed in HEK293 cells
50048191	16	ChEMBL_1631996 (CHEMBL3874702)	Inhibition of CYP1A2 (unknown origin)
50048191	17	ChEMBL_1631998 (CHEMBL3874704)	Inhibition of CYP2D6 (unknown origin)
50048191	18	ChEMBL_1632013 (CHEMBL3874719)	Binding affinity to rat M1 receptor by radio-ligand binding assay
50048191	19	ChEMBL_1632015 (CHEMBL3874721)	Binding affinity to rat M3 receptor by radio-ligand binding assay
50048191	20	ChEMBL_1632020 (CHEMBL3874726)	Displacement of [3H] GR-65630 from recombinant human 5-HT3 receptor expressed in HEK293 cells
50048192	1	ChEMBL_1632051 (CHEMBL3874757)	Antagonist activity at wild-type human CXCR4 expressed in COS7 cells co-expressing chimeric galphai assessed as inhibition of CXCL12-induced [3H]inositol-phosphate accumulation measured after 90 mins in presence of Myo-[2-3H]-inositol by scintillation proximity assay
50048193	1	ChEMBL_1632055 (CHEMBL3874761)	Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay
50048193	2	ChEMBL_1632054 (CHEMBL3874760)	Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay
50048193	3	ChEMBL_1632053 (CHEMBL3874759)	Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay
50048193	4	ChEMBL_1632052 (CHEMBL3874758)	Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay
50030891	1	ChEMBL_596087 (CHEMBL1040875)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells
50030891	2	ChEMBL_596088 (CHEMBL1040876)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells
50030891	3	ChEMBL_596090 (CHEMBL1040878)	Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay
50030891	4	ChEMBL_596092 (CHEMBL1040880)	Agonist activity at human recombinant CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production
50030891	5	ChEMBL_596094 (CHEMBL1040882)	Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production
50030892	1	ChEMBL_596241 (CHEMBL1048017)	Inhibition of rat recombinant FAAH expressed in Escherichia coli
50030892	2	ChEMBL_596242 (CHEMBL1048018)	Inhibition of FAAH
50030893	1	ChEMBL_596264 (CHEMBL1050680)	Binding affinity to p38alpha
50030893	2	ChEMBL_596265 (CHEMBL1050681)	Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)phenylamino)acetamide) from inactive form of p38alpha expressed in Escherichia coli BL21(DE3) cells by enzyme fragment complementation assay
50030893	3	ChEMBL_596266 (CHEMBL1050682)	Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay
50030893	4	ChEMBL_596267 (CHEMBL1050683)	Displacement of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)phenylamino)acetamide) from inactive form of JNK2 by enzyme fragment complementation assay
50030893	5	ChEMBL_596268 (CHEMBL1050684)	Inhibition of JNK2 active form by HTRF assay
50048194	1	ChEMBL_1632086 (CHEMBL3874792)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method
50048194	2	ChEMBL_1632085 (CHEMBL3874791)	Inhibition of CYP2C9 in human liver using microsomes diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method
50048194	3	ChEMBL_1632087 (CHEMBL3874793)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method
50048194	4	ChEMBL_1632088 (CHEMBL3874794)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method
50048194	5	ChEMBL_1632084 (CHEMBL3874790)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS method
50048194	6	ChEMBL_1632089 (CHEMBL3874795)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in nifedipine oxidation incubated for 10 mins
50030894	2	ChEMBL_596273 (CHEMBL1050689)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50030894	3	ChEMBL_596274 (CHEMBL1050690)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells
50048195	1	ChEMBL_1632098 (CHEMBL3874804)	Inhibition of rat small intestinal brush border membrane isomaltase assessed as reduction in production of D-glucose using disaccharides as substrate incubated for 10 to 30 mins
50048195	2	ChEMBL_1632099 (CHEMBL3874805)	Inhibition of rat small intestinal brush border membrane sucrase assessed as reduction in production of D-glucose using disaccharides as substrate incubated for 10 to 30 mins
50048196	1	ChEMBL_1632102 (CHEMBL3874808)	Inhibition of human recombinant full-length N-terminal His-tagged BTK expressed in baculovirus infected Sf9 insect cells measured after 60 mins by ADP-Glo kinase assay
50048197	1	ChEMBL_1632145 (CHEMBL3874851)	Antagonist activity at human recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium increase by Fluo-4 AM based assay
50048197	2	ChEMBL_1632170 (CHEMBL3874876)	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium increase by Fluo-4 AM based assay
50030896	1	ChEMBL_596627 (CHEMBL1046154)	Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS
50030896	2	ChEMBL_596628 (CHEMBL1046155)	Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA
50030896	3	ChEMBL_596630 (CHEMBL1046157)	Binding affinity to human recombinant LTA4H by isothermal calorimetry
50030897	1	ChEMBL_596837 (CHEMBL1042648)	Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting
50030897	2	ChEMBL_596851 (CHEMBL1045310)	Displacement of [3H]PGE2 from mouse EP3 receptor after 1 hr by liquid scintillation counting
50030897	3	ChEMBL_596850 (CHEMBL1045309)	Displacement of [3H]iloprost from human IP receptor after 1 hr by liquid scintillation counting
50030897	4	ChEMBL_596849 (CHEMBL1045308)	Displacement of [3H]PGE2 from human EP4 receptor after 1 hr by liquid scintillation counting
50030897	5	ChEMBL_596848 (CHEMBL1045307)	Displacement of [3H]PGE2 from human EP2 receptor after 1 hr by liquid scintillation counting
50030897	6	ChEMBL_596847 (CHEMBL1042658)	Displacement of [3H]PGE2 from human EP1 receptor after 1 hr by liquid scintillation counting
50030897	7	ChEMBL_596846 (CHEMBL1042657)	Displacement of [3H]PGE2 from human EP3 receptor after 60 mins repeated washing by liquid scintillation counting
50030897	8	ChEMBL_596834 (CHEMBL1042645)	Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum
50030897	9	ChEMBL_596865 (CHEMBL1045324)	Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50030897	10	ChEMBL_596864 (CHEMBL1045323)	Inhibition of human CYP3A4 using dibenzylfluorescein as substrate
50030897	11	ChEMBL_596863 (CHEMBL1045322)	Inhibition of human CYP2D6
50030897	12	ChEMBL_596862 (CHEMBL1045321)	Inhibition of human CYP2C9
50030897	13	ChEMBL_596861 (CHEMBL1045320)	Inhibition of human CYP2C19
50030897	14	ChEMBL_596860 (CHEMBL1045319)	Inhibition of human CYP1A2
50030897	15	ChEMBL_596835 (CHEMBL1042646)	Antagonist activity at human EP3 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP level after 10 mins by EIA
50030898	2	ChEMBL_597055 (CHEMBL1044550)	Inhibition of human BACE2 by FRET based peptide cleavage assay
50030898	3	ChEMBL_597056 (CHEMBL1044551)	Inhibition of human cathepsin D by FRET based peptide cleavage assay
50048197	3	ChEMBL_1632169 (CHEMBL3874875)	Antagonist activity at human recombinant TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced calcium increase by Fluo-4 AM based assay
50048197	4	ChEMBL_1632174 (CHEMBL3874880)	Antagonist activity at human recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium increase by Fluo-4 AM based assay
50048197	5	ChEMBL_1632168 (CHEMBL3874874)	Antagonist activity at rat recombinant TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium increase by Fluo-4 AM based assay
50048197	6	ChEMBL_1632173 (CHEMBL3874879)	Antagonist activity at human recombinant full length TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium increase preincubated for 10 mins followed by icilin addition by Fluo-4 AM dye based FLIPR assay
50048197	7	ChEMBL_1632172 (CHEMBL3874878)	Agonist activity at human recombinant TRPA1 expressed in HEK293 cells assessed as increase in calcium flux by Fluo-4-AM based assay
50048197	8	ChEMBL_1632171 (CHEMBL3874877)	Antagonist activity at human recombinant TRPV4 expressed in HEK293 cells assessed as inhibition of RN-1747-induced calcium increase by Fura-2 AM based assay
50048198	1	ChEMBL_1632220 (CHEMBL3874926)	Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based reversed phase HPLC analysis
50048198	2	ChEMBL_1632224 (CHEMBL3874930)	Inhibition of recombinant human MAGL using 1,3-dihydroxypropan-2-yl 4-pyren-1-yl-butanoate as substrate after 45 mins by fluorescence-based reversed phase HPLC analysis
50048199	1	ChEMBL_1632235 (CHEMBL3874941)	Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay
50048199	2	ChEMBL_1632238 (CHEMBL3874944)	Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay
50048199	3	ChEMBL_1632227 (CHEMBL3874933)	Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay
50048199	4	ChEMBL_1632233 (CHEMBL3874939)	Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 1% DMSO by SPR assay
50048199	5	ChEMBL_1632232 (CHEMBL3874938)	Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 0.5% DMSO by SPR assay
50048199	6	ChEMBL_1632228 (CHEMBL3874934)	Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay
50048199	7	ChEMBL_1632234 (CHEMBL3874940)	Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 3% DMSO by SPR assay
50048199	8	ChEMBL_1632229 (CHEMBL3874935)	Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay
50048199	9	ChEMBL_1632230 (CHEMBL3874936)	Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay
50048199	10	ChEMBL_1632231 (CHEMBL3874937)	Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay
50048199	11	ChEMBL_1632236 (CHEMBL3874942)	Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay
50048199	12	ChEMBL_1632237 (CHEMBL3874943)	Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay
50048200	1	ChEMBL_1632247 (CHEMBL3874953)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50048200	2	ChEMBL_1632252 (CHEMBL3874958)	Inhibition of EGFR (unknown origin)
50048200	3	ChEMBL_1632250 (CHEMBL3874956)	Inhibition of FLT3 (unknown origin)
50048200	4	ChEMBL_1632249 (CHEMBL3874955)	Inhibition of VEGFR-2 (unknown origin)
50048200	5	ChEMBL_1632253 (CHEMBL3874959)	Inhibition of c-KIT (unknown origin)
50048200	6	ChEMBL_1632251 (CHEMBL3874957)	Inhibition of ALK (unknown origin)
50030898	5	ChEMBL_597059 (CHEMBL1044554)	Inhibition of human recombinant renin by FRET based peptide cleavage assay
50048201	1	ChEMBL_1632258 (CHEMBL3874964)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50030899	1	ChEMBL_597105 (CHEMBL1045391)	Inhibition of human DPP4 from human Caco-2 cells
50048201	2	ChEMBL_1632259 (CHEMBL3874965)	Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50048201	3	ChEMBL_1632257 (CHEMBL3874963)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50030901	1	ChEMBL_597530 (CHEMBL1047005)	Binding affinity to human PHD2 by nondenaturing ESI-MS
50030901	2	ChEMBL_597531 (CHEMBL1047006)	Inhibition of human PHD2 at 293K temperature by solvent relaxation technique
50030901	3	ChEMBL_597532 (CHEMBL1047007)	Binding affinity to human PHD2-Mn(II) using 100% H2O MQC spectrometer operated at 23 MHz at 313K temperature
50030901	4	ChEMBL_597533 (CHEMBL1047008)	Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 313K temperature
50030901	5	ChEMBL_597534 (CHEMBL1047009)	Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature
50030901	6	ChEMBL_597535 (CHEMBL1047010)	Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature in presence of HIF1alpha (556-574) CODD fragment
50048201	4	ChEMBL_1632260 (CHEMBL3874966)	Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50030903	1	ChEMBL_597564 (CHEMBL1049701)	Inhibition of human PACE4 expressed in Drosophila schneider 2 cells by fluorescence assay
50030903	2	ChEMBL_597567 (CHEMBL1049704)	Inhibition of human PC1/3 expressed in Drosophila schneider 2 cells by fluorescence assay
50030903	3	ChEMBL_597565 (CHEMBL1049702)	Inhibition of human PC5/6 expressed in Drosophila schneider 2 cells by fluorescence assay
50030903	4	ChEMBL_597568 (CHEMBL1049705)	Inhibition of human PC2 expressed in Drosophila schneider 2 cells by fluorescence assay
50030903	5	ChEMBL_597566 (CHEMBL1049703)	Inhibition of human PC7 expressed in Drosophila schneider 2 cells by fluorescence assay
50030903	6	ChEMBL_597571 (CHEMBL1049708)	Inhibition of plasmin
50030903	7	ChEMBL_597569 (CHEMBL1049706)	Inhibition of thrombin
50030903	8	ChEMBL_597570 (CHEMBL1049707)	Inhibition of factor 10a
50030903	9	ChEMBL_597562 (CHEMBL1049699)	Inhibition of human furin by fluorescence assay
50030904	1	ChEMBL_597576 (CHEMBL1050539)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK293 cells
50030904	2	ChEMBL_597578 (CHEMBL1050541)	Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgamma binding
50030904	3	ChEMBL_597580 (CHEMBL1050543)	Agonist activity at human dopamine D3 receptor expressed in mouse AtT-20 cells assessed as stimulation of [35S]GTPgamma binding
50030904	4	ChEMBL_597575 (CHEMBL1050538)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cells
50030906	1	ChEMBL_594736 (CHEMBL1038026)	Binding affinity to GPR30
50030907	1	ChEMBL_594757 (CHEMBL1039867)	Inhibition of heat aggregated human IgG binding to human Fc-gamma-R1
50030907	2	ChEMBL_594758 (CHEMBL1039868)	Inhibition of heat aggregated human IgG binding to human Fc-gamma-R2a
50030907	3	ChEMBL_594759 (CHEMBL1039869)	Inhibition of heat aggregated human IgG binding to human Fc-gamma-R3b
50048202	1	ChEMBL_1632265 (CHEMBL3874971)	Inhibition of 5-lipoxygenase in pig leukocytes using arachidonic acid as substrate
50048203	1	ChEMBL_1632267 (CHEMBL3874973)	Inhibition of human erythrocyte carbonic anhydrase 1 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration assay
50048203	2	ChEMBL_1632268 (CHEMBL3874974)	Inhibition of human erythrocyte carbonic anhydrase 2 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration assay
50048204	1	ChEBML_1632273	Agonist activity at mouse GPR120 assessed as induction of IP1 accumulation
50048204	11	ChEMBL_1632274 (CHEMBL3874980)	Agonist activity at human GPR40 assessed as induction of IP1 accumulation
50048204	3	ChEMBL_1632273 (CHEMBL3874979)	Agonist activity at mouse GPR120 assessed as induction of IP1 accumulation
50048204	4	ChEMBL_1632275 (CHEMBL3874981)	Agonist activity at ARMS2-PK2 -tagged human GPR120 short isoform expressed in CHOK1 cells assessed as induction of beta-arrestin2 recruitment after 90 mins by luminescence assay
50048204	8	ChEMBL_1632279 (CHEMBL3874985)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of IP1 accumulation after 60 mins by HTRF assay
50048204	5	ChEMBL_1632276 (CHEMBL3874982)	Agonist activity at mouse GPR120 expressed in U2OS cells assessed as induction of beta-arrestin2 recruitment after 90 mins by luminescence assay
50048204	6	ChEMBL_1632277 (CHEMBL3874983)	Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed as induction of IP1 accumulation after 60 mins by HTRF assay
50048204	7	ChEMBL_1632278 (CHEMBL3874984)	Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as induction of IP1 accumulation after 60 mins by HTRF assay
50048204	9	ChEBML_1632279	Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of IP1 accumulation after 60 mins by HTRF assay
50048204	10	ChEMBL_1632270 (CHEMBL3874976)	Agonist activity at human GPR120 assessed as induction of beta-arrestin recruitment
50048204	2	ChEBML_1632270	Agonist activity at human GPR120 assessed as induction of beta-arrestin recruitment
50048204	12	ChEMBL_1632272 (CHEMBL3874978)	Agonist activity at human GPR120 assessed as induction of IP1 accumulation
50048204	13	ChEMBL_1632271 (CHEMBL3874977)	Agonist activity at mouse GPR120 assessed as induction of beta-arrestin recruitment
50030909	1	ChEMBL_594921 (CHEMBL1041654)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50030909	2	ChEMBL_594926 (CHEMBL1041659)	Binding affinity to mu opioid receptor
50030909	3	ChEMBL_594927 (CHEMBL1041660)	Binding affinity to CB1 receptor
50030909	4	ChEMBL_594777 (CHEMBL1040738)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50030910	2	ChEMBL_594974 (CHEMBL1038965)	Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells
50048205	5	ChEMBL_1632339 (CHEMBL3875045)	Displacement of [3H]DAMGO from MOR in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50048205	6	ChEMBL_1632353 (CHEMBL3875059)	Displacement of [3H]DELT2 from DOR in Sprague-Dawley rat brain homogenate measured after 180 mins by scintillation counting analysis
50048205	1	ChEMBL_1632340 (CHEMBL3875046)	Displacement of [3H]DELT2 from DOR in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50030910	1	ChEMBL_594992 (CHEMBL1039850)	Binding affinity to human mu opioid receptor expressed in CHO cells
50048206	24	ChEMBL_1632373 (CHEMBL3875079)	Inhibition of PI3Kbeta in HUVEC assessed as reduction in sphingosine-1-phosphate stimulated akt phosphorylation at Ser473 residue preincubated for 15 mins followed by sphingosine-1-phosphate stimulation for 5 mins by HTRF assay
50048205	7	ChEMBL_1632352 (CHEMBL3875058)	Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain homogenate measured after 180 mins by scintillation counting analysis
50048205	8	ChEMBL_1632341 (CHEMBL3875047)	Displacement of [Leu-3,4,5-3H(N)]-Substance P from NK1 receptor in rat brain homogenate measured after 60 mins by microbeta scintillation counting analysis
50048206	14	ChEMBL_1632369 (CHEMBL3875075)	Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50048206	15	ChEBML_1632368	Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed by MCSF stimulation for 3 mins by ELISA
50048206	25	ChEMBL_1632368 (CHEMBL3875074)	Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed by MCSF stimulation for 3 mins by ELISA
50030910	4	ChEMBL_594980 (CHEMBL1039838)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate
50048206	23	ChEMBL_1632390 (CHEMBL3875096)	Inhibition of CYP1A2 in human liver microsomes assessed as reduction in Ethoxyresorufin O-deethylation at 1 to 25 uM by UPLC-MS/MS analysis
50048206	18	ChEMBL_1632371 (CHEMBL3875077)	Inhibition of full length recombinant human N-terminal Hi6s-tagged PI3K p110beta/full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50030910	5	ChEMBL_594992 (CHEMBL1039850)	Binding affinity to human mu opioid receptor expressed in CHO cells
50048206	22	ChEMBL_1632391 (CHEMBL3875097)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in diclofenac 4-hydroxylation at 1 to 25 uM by UPLC-MS/MS analysis
50048206	19	ChEMBL_1632393 (CHEMBL3875099)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextromethorphan O-demethylation at 1 to 25 uM by UPLC-MS/MS analysis
50048206	21	ChEMBL_1632362 (CHEMBL3875068)	Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110alpha/human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50048206	16	ChEMBL_1632359 (CHEMBL3875065)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgD-mediated B-cell activation by measuring decrease in CD19+ cells expressing CD69 preincubated for 30 mins followed by IgD activation for 2 hrs by lysis reagent-based FACS analysis
50030911	1	ChEMBL_595161 (CHEMBL1037326)	Inhibition of adenosine kinase AMP binding site
50030911	2	ChEMBL_595163 (CHEMBL1037328)	Inhibition of AMP deaminase AMP binding site
50030911	3	ChEMBL_595165 (CHEMBL1037330)	Inhibition of phosphofructokinase AMP binding site
50048206	20	ChEMBL_1632392 (CHEMBL3875098)	Inhibition of CYP2C19 in human liver microsomes assessed as reduction in S-mephenytoin-4-hydroxylation at 1 to 25 uM by UPLC-MS/MS analysis
50048207	1	ChEMBL_1632463 (CHEMBL3875255)	Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis
50030911	5	ChEMBL_595158 (CHEMBL1037323)	Inhibition of rat liver FBPase 1
50048208	1	ChEMBL_1632481 (CHEMBL3875273)	Inhibition of equine serum BuChE preincubated for 5 mins followed by butyrylthiocholine iodide substrate addition measured after 5 mins by Ellman's method
50048208	2	ChEMBL_1632485 (CHEMBL3875277)	Inhibition of human recombinant AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman's method
50048208	3	ChEMBL_1632480 (CHEMBL3875272)	Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter
50048208	4	ChEMBL_1632479 (CHEMBL3875271)	Inhibition of electric eel AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman's method
50048208	5	ChEMBL_1632482 (CHEMBL3875274)	Inhibition of human recombinant BuChE preincubated for 5 mins followed by butyrylthiocholine iodide substrate addition measured after 5 mins by Ellman's method
50048209	1	ChEMBL_1632525 (CHEMBL3875317)	Inhibition of Mycobacterium smegmatis DNA gyrase B expressed in BL21(DE3)pLysS cells assessed as inhibition of DNA supercoiling activity in presence of ATP measured after 30 mins by malachite green dye based assay
50048209	2	ChEMBL_1632519 (CHEMBL3875311)	Binding affinity to Escherichia coli H560 DNA gyrase B
50048209	3	ChEMBL_1632527 (CHEMBL3875319)	Inhibition of Escherichia coli H560 DNA gyrase B ATPase activity after 30 mins by ammonium molybdate/malachite green-based phosphate detection assay
50048210	1	ChEMBL_1632560 (CHEMBL3875352)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate by Ellman's method
50030914	1	ChEMBL_595225 (CHEMBL1043577)	Inhibition of Ape1/ref-1 redox activity in presence of 0.02 mM DTT and human Hey-C2 cells nuclear extracts by EMSA
50048210	2	ChEMBL_1632561 (CHEMBL3875353)	Inhibition of horse serum butyrylcholinesterase by Ellman's method
50048211	1	ChEBML_1632642	Inhibition of human PDE3B using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	2	ChEBML_1632645	Inhibition of full length human PDE4B1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	3	ChEBML_1632646	Inhibition of full length human PDE4C1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	12	ChEMBL_1632641 (CHEMBL3875433)	Inhibition of human PDE2A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	4	ChEMBL_1632647 (CHEMBL3875439)	Inhibition of full length human PDE4D7 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	10	ChEMBL_1632650 (CHEMBL3875442)	Inhibition of human PDE7A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	15	ChEMBL_1632646 (CHEMBL3875438)	Inhibition of full length human PDE4C1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	5	ChEMBL_1632649 (CHEMBL3875441)	Inhibition of human PDE6C using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	11	ChEMBL_1632652 (CHEMBL3875444)	Inhibition of human PDE9A2 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	6	ChEMBL_1632648 (CHEMBL3875440)	Inhibition of human PDE5A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	7	ChEMBL_1632654 (CHEMBL3875446)	Inhibition of human PDE11A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	16	ChEMBL_1632645 (CHEMBL3875437)	Inhibition of full length human PDE4B1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	8	ChEMBL_1632653 (CHEMBL3875445)	Inhibition of human PDE10A2 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	13	ChEMBL_1632651 (CHEMBL3875443)	Inhibition of human PDE8A1 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50030917	1	ChEMBL_595431 (CHEMBL1040072)	Inhibition of p38alpha-mediated ATF2 phosphorylation in presence of ATP
50030917	2	ChEMBL_595432 (CHEMBL1040073)	Inhibition of JNK3 by nonradioactive JNK3 assay
50030918	2	ChEMBL_601358 (CHEMBL1045995)	Agonist activity at human P2Y14 receptor expressed in human COS7 cells
50030919	1	ChEMBL_601509 (CHEMBL1044204)	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green monkey COS1 cells by liquid scintillation counting
50030919	2	ChEMBL_601510 (CHEMBL1044205)	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african green monkey COS1 cells by liquid scintillation counting
50030919	3	ChEMBL_601511 (CHEMBL1044206)	Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green monkey COS1 cells by liquid scintillation counting
50030920	1	ChEMBL_601541 (CHEMBL1044238)	Inhibition of mushroom tyrosinase
50030921	1	ChEMBL_601578 (CHEMBL1047758)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain
50030921	2	ChEMBL_601579 (CHEMBL1047759)	Displacement of [3H]dynorphin from human kappa opioid receptor expressed in C6 giloma cells
50030922	1	ChEMBL_601692 (CHEMBL1050427)	Inhibition of 5HT1E receptor
50030922	2	ChEMBL_601691 (CHEMBL1050426)	Inhibition of 5HT1D receptor
50030922	3	ChEMBL_601690 (CHEMBL1050425)	Inhibition of 5HT1B receptor
50030922	4	ChEMBL_601689 (CHEMBL1050424)	Inhibition of 5HT1A receptor
50030922	5	ChEMBL_601679 (CHEMBL1049577)	Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	6	ChEMBL_601678 (CHEMBL1049576)	Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	7	ChEMBL_601678 (CHEMBL1049576)	Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	8	ChEMBL_601679 (CHEMBL1049577)	Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	9	ChEMBL_601677 (CHEMBL1049575)	Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	10	ChEMBL_601677 (CHEMBL1049575)	Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting
50030922	11	ChEMBL_601693 (CHEMBL1050428)	Inhibition of 5HT2A receptor
50030922	12	ChEMBL_601694 (CHEMBL1050429)	Inhibition of 5HT2B receptor
50030922	13	ChEMBL_601695 (CHEMBL1050430)	Inhibition of 5HT2C receptor
50030922	14	ChEMBL_601696 (CHEMBL1050431)	Inhibition of 5HT3 receptor
50030922	15	ChEMBL_601697 (CHEMBL1050432)	Inhibition of 5HT5A receptor
50030922	16	ChEMBL_601698 (CHEMBL1050433)	Inhibition of 5HT6 receptor
50030922	17	ChEMBL_601699 (CHEMBL1050434)	Inhibition of 5HT7 receptor
50030922	18	ChEMBL_601700 (CHEMBL1050435)	Inhibition of alpha1A adrenergic receptor
50030922	19	ChEMBL_601701 (CHEMBL1050436)	Inhibition of Alpha-1B adrenergic receptor
50030922	20	ChEMBL_601702 (CHEMBL1050437)	Inhibition of alpha2A adrenergic receptor
50030922	22	ChEMBL_601704 (CHEMBL1050439)	Inhibition of Alpha-2C adrenergic receptor
50030922	23	ChEMBL_601705 (CHEMBL1050440)	Inhibition of beta-1 adrenergic receptor
50048211	9	ChEMBL_1632644 (CHEMBL3875436)	Inhibition of full length human PDE4A4 using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50030922	25	ChEMBL_601707 (CHEMBL1050442)	Inhibition of beta3 adrenergic receptor
50030922	26	ChEMBL_601708 (CHEMBL1050443)	Inhibition of dopamine D1 receptor
50030922	27	ChEMBL_601709 (CHEMBL1050444)	Inhibition of dopamine D2 receptor
50030922	28	ChEMBL_601710 (CHEMBL1050445)	Inhibition of dopamine D5 receptor
50030922	29	ChEMBL_601711 (CHEMBL1050446)	Inhibition of histamine H1 receptor
50030922	30	ChEMBL_601712 (CHEMBL1050447)	Inhibition of histamine H2 receptor
50030922	31	ChEMBL_601713 (CHEMBL1050448)	Inhibition of histamine H4 receptor
50030922	32	ChEMBL_601714 (CHEMBL1050449)	Inhibition of muscarinic M1 receptor
50030922	33	ChEMBL_601715 (CHEMBL1050450)	Inhibition of muscarinic M2 receptor
50030922	34	ChEMBL_601716 (CHEMBL1050451)	Inhibition of muscarinic M3 receptor
50030922	35	ChEMBL_601717 (CHEMBL1050452)	Inhibition of muscarinic M4 receptor
50030922	36	ChEMBL_601718 (CHEMBL1050453)	Inhibition of muscarinic M5 receptor
50030922	37	ChEMBL_601719 (CHEMBL1050454)	Inhibition of DAT
50030922	38	ChEMBL_601720 (CHEMBL1050455)	Inhibition of NET
50030922	39	ChEMBL_601721 (CHEMBL1050456)	Inhibition of SERT
50030923	1	ChEMBL_601749 (CHEMBL1047804)	Displacement of [3H]ifenprodil form NR2B receptor in Wistar rat cerebral cortex membrane
50030923	2	ChEMBL_601840 (CHEMBL1045136)	Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells
50030924	1	ChEMBL_602013 (CHEMBL1064560)	Displacement of [3H]SYM2081 from rat recombinant iGluR5-1b expressed in baculovirus-infected insect Sf9 cells
50030924	2	ChEMBL_602018 (CHEMBL1064565)	Displacement of [3H]AMPA from wild type rat GluR2 S1S2 ligand binding core
50030924	3	ChEMBL_602019 (CHEMBL1064566)	Displacement of [3H]S-glutamate from rat GluR5 S1S2 ligand binding core expressed in Escherichia coli (DE3)
50030925	1	ChEMBL_602179 (CHEMBL1044716)	Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting
50030926	1	ChEMBL_602199 (CHEMBL1044736)	Inhibition of porcine pancreatic PLA2 after 1 hr by radiometric method
50030927	1	ChEMBL_602349 (CHEMBL1041579)	Inhibition of human recombinant HGPRT expressed in Escherichia coli by spectrophotometric assay
50030928	1	ChEMBL_600962 (CHEMBL1046067)	Inhibition of NOS1
50030928	2	ChEMBL_600964 (CHEMBL1046069)	Inhibition of recombinant NOS1 assessed as citrulline formation
50030928	3	ChEMBL_600963 (CHEMBL1046068)	Inhibition of NOS2
50030929	1	ChEMBL_601025 (CHEMBL1069162)	Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically
50030929	2	ChEMBL_601026 (CHEMBL1069163)	Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically
50030930	1	ChEMBL_601071 (CHEMBL1071830)	Inhibition of Bacillus subtilis LuxS
50030930	2	ChEMBL_601072 (CHEMBL1071831)	Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant
50048211	14	ChEMBL_1632640 (CHEMBL3875432)	Inhibition of human PDE1A using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048211	17	ChEMBL_1632642 (CHEMBL3875434)	Inhibition of human PDE3B using FAM-3',5'-cAMP as substrate after 1 hr by fluorescence polarization assay
50048212	1	ChEMBL_1632706 (CHEMBL3875498)	Inhibition of acetylcholinesterase (unknown origin)
50048213	1	ChEMBL_1632709 (CHEMBL3875501)	Inhibition of recombinant SUMO-fused MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) expressed in Escherichia coli BL21 (DE3) using 10-mer histone H3 peptide as substrate and [3H]-S-adenosyl methionine as cofactor after 2 hrs by scintillation counting method
50048213	2	ChEMBL_1632711 (CHEMBL3875503)	Binding affinity to human WDR5 by isothermal titration calorimetry
50048213	3	ChEMBL_1632710 (CHEMBL3875502)	Inhibition of 10mer-Thr-FAM probe binding to human WDR5 after 2 hrs by fluorescence polarization assay
50048213	4	ChEMBL_1632713 (CHEMBL3875505)	Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay
50048213	5	ChEMBL_1632743 (CHEMBL3875535)	Inhibition of fluorescence-labeled Ac-ARA peptide binding to WDR5 (unknown origin) by fluorescence polarization assay
50048214	1	ChEBML_1632851	Inhibition of recombinant GGT1 (unknown origin) using GGPP as substrate preincubated for 5 mins followed by protein addition measured over 20 mins by fluorescence assay
50048214	2	ChEMBL_1632851 (CHEMBL3875643)	Inhibition of recombinant GGT1 (unknown origin) using GGPP as substrate preincubated for 5 mins followed by protein addition measured over 20 mins by fluorescence assay
50048215	1	ChEMBL_1632884 (CHEMBL3875676)	Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum incubated for 30 mins by liquid scintillation counting analysis
50048215	2	ChEMBL_1632885 (CHEMBL3875677)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat cerebral cortex incubated for 30 mins by liquid scintillation counting analysis
50048215	3	ChEMBL_1632886 (CHEMBL3875678)	Displacement of [3H] ketanserin from 5-HT2A receptor in Sprague-Dawley rat cerebral cortex incubated for 30 mins by liquid scintillation counting analysis
50030932	1	ChEMBL_601129 (CHEMBL1074544)	Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting
50048215	4	ChEMBL_1632883 (CHEMBL3875675)	Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat cerebral cortex incubated for 15 mins in presence of spiperone by liquid scintillation counting analysis
50048215	5	ChEMBL_1632882 (CHEMBL3875674)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5-HT6 receptor expressed in CHO cell membranes for 30 mins by liquid scintillation counting analysis
50048215	6	ChEMBL_1632887 (CHEMBL3875679)	Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum incubated for 60 mins by liquid scintillation counting analysis
50030934	5	ChEMBL_605386 (CHEMBL1073380)	Inhibition of TIE2 by microplate scintillation counting
50030934	6	ChEMBL_605382 (CHEMBL1073376)	Inhibition of Aurora-A by microplate scintillation counting
50030934	7	ChEMBL_605385 (CHEMBL1073379)	Inhibition of VEGFR2 by microplate scintillation counting
50030934	10	ChEMBL_605384 (CHEMBL1073378)	Inhibition of wild type EGF-R by microplate scintillation counting
50030934	11	ChEMBL_605387 (CHEMBL1073381)	Inhibition of ERBB2 by microplate scintillation counting
50030934	12	ChEMBL_605388 (CHEMBL1073382)	Inhibition of PDGFRbeta by microplate scintillation counting
50030935	1	ChEMBL_605400 (CHEMBL1073394)	Inhibition of AChE in rat cortex after 15 mins by modified Ellman's method
50030935	2	ChEMBL_605401 (CHEMBL1073395)	Inhibition of BChE in rat serum after 15 mins by modified Ellman's method
50030937	1	ChEMBL_605767 (CHEMBL1073263)	Inhibition of GAT1 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting
50030937	2	ChEMBL_605768 (CHEMBL1073264)	Inhibition of GAT3 in mouse D8 cells assessed as [3H]GABA transport by liquid scintillation counting
50030938	1	ChEMBL_605772 (CHEMBL1074590)	Inhibition of rabbit muscle glycogen phosphorylase b
50030938	2	ChEMBL_605773 (CHEMBL1074591)	Inhibition of rabbit muscle glycogen phosphorylase b by cheng-prusoff equation
50048216	1	ChEMBL_1632897 (CHEMBL3875689)	Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins
50048216	2	ChEMBL_1632896 (CHEMBL3875688)	Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins
50030940	1	ChEMBL_606135 (CHEMBL1073967)	Inhibition of RNase A using dixon plot by spectrophotometric method
50030941	1	ChEMBL_606136 (CHEMBL1073968)	Competitive inhibition of soybean LO1
50030941	2	ChEMBL_606137 (CHEMBL1074603)	Mixed-type inhibition of soybean LO1
50030941	3	ChEMBL_606138 (CHEMBL1074604)	Allosteric inhibition of soybean LO1
50030941	4	ChEMBL_606153 (CHEMBL1074619)	Binding affinity to allosteric site of soybean LO1
50030941	5	ChEMBL_606150 (CHEMBL1074616)	Binding affinity to soybean LO1
50030942	1	ChEMBL_606463 (CHEMBL1074028)	Inhibition of rat Y5 receptor
50030942	2	ChEMBL_606453 (CHEMBL1074018)	Displacement of [125I]PYY from human recombinant Y5 receptor
50030943	1	ChEMBL_606473 (CHEMBL1065424)	Inhibition of Torpedo california AChE by Ellman's method
50030943	2	ChEMBL_606474 (CHEMBL1065425)	Inhibition of human AChE by Ellman's method
50030944	1	ChEMBL_606511 (CHEMBL1065462)	Displacement of [3H]granisectron from 5HT3 receptor in Wistar rat forebrain
50030945	1	ChEMBL_606516 (CHEMBL1065467)	Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells co-transfected with LexADBD assessed as increase in transcriptional activity after 16 hrs by beta-galactosidase one hybrid assay
50048217	1	ChEMBL_1633036 (CHEMBL3875828)	Inhibition of recombinant human full length His-tagged CDK1/Cyclin B expressed in baculovirus expression system using peptide substrate after 30 mins by fluorimetric assay
50048218	1	ChEMBL_1633046 (CHEMBL3875838)	Inhibition of human JAK2 using poly (Glu:Tyr) as substrate
50048218	2	ChEMBL_1633047 (CHEMBL3875839)	Inhibition of human JAK3 using poly (Glu:Tyr) as substrate
50048218	3	ChEMBL_1633048 (CHEMBL3875840)	Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay
50048218	4	ChEMBL_1633049 (CHEMBL3875841)	Inhibition of human JAK2
50048218	5	ChEMBL_1633041 (CHEMBL3875833)	Inhibition of human AURKA
50048219	1	ChEMBL_1633053 (CHEMBL3875845)	Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechst 33342 addition measured immediately at 60 sec time interval for 120 mins by fluorescence assay
50048219	2	ChEMBL_1633055 (CHEMBL3875847)	Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in pheophorbide A efflux preincubated for 30 mins followed by pheophorbide A addition measured after 2 hrs by flow cytometry
50048219	3	ChEMBL_1633058 (CHEMBL3875850)	Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcien-AM efflux preincubated for 30 mins followed by calcien-AM addition measured immediately at 60 sec time interval for 60 mins by fluorescence assay
50030948	1	ChEMBL_606814 (CHEMBL1068578)	Inhibition of pleckstrin homology domain of AKT by surface plasmon resonance spectroscopy
50030948	2	ChEMBL_606815 (CHEMBL1068579)	Inhibition of Akt phosphorylation in human BxPC3 cells by Western blotting
50030949	1	ChEMBL_602872 (CHEMBL1065927)	Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continuous spectrophotometric assay
50030949	2	ChEMBL_602874 (CHEMBL1038417)	Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continuous spectrophotometric assay
50048220	1	ChEMBL_1633066 (CHEMBL3875858)	Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	2	ChEMBL_1633067 (CHEMBL3875859)	Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	3	ChEMBL_1633068 (CHEMBL3875860)	Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	4	ChEMBL_1633069 (CHEMBL3875861)	Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	5	ChEMBL_1633062 (CHEMBL3875854)	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	6	ChEMBL_1633064 (CHEMBL3875856)	Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50048220	7	ChEMBL_1633065 (CHEMBL3875857)	Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50030952	1	ChEMBL_603142 (CHEMBL1041602)	Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis
50030953	1	ChEMBL_603163 (CHEMBL1042440)	Inhibition of STAT6 in IL4-stimulated human FW4 reporter cells by luciferase assay
50030954	1	ChEMBL_603169 (CHEMBL1042446)	Inhibition of GSK3-beta by liquid scintillation counting
50030955	1	ChEMBL_603603 (CHEMBL1071155)	Allosteric modulatory activity at human adenosine A1 receptor expressed in CHOk1 cells assessed as drug level causing half maximal allosteric effect on [125I]-ABA dissociation from receptor-G protein ternary complex by dissociation kinetic binding assay
50030957	1	ChEMBL_603837 (CHEMBL1045632)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membranes
50030957	2	ChEMBL_603836 (CHEMBL1045631)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membranes
50030957	5	ChEMBL_603842 (CHEMBL1046459)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated contraction
50030957	6	ChEMBL_603843 (CHEMBL1046460)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated contraction
50030957	7	ChEMBL_603840 (CHEMBL1046457)	Agonist activity at rat mu opioid receptor expressed in HN9.10 cells assessed as stimulation of [35S]GTPgammaS binding
50030958	1	ChEMBL_603857 (CHEMBL1046474)	Displacement of [125I]ET1 from endothelin A receptor in DBA mouse microsomes
50030959	1	ChEMBL_603902 (CHEMBL1048581)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2
50030960	1	ChEMBL_604104 (CHEMBL1041612)	Inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay
50030960	2	ChEMBL_604110 (CHEMBL1041618)	Mixed type inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay
50030960	3	ChEMBL_604115 (CHEMBL1041623)	Competitive inhibition of human placenta beta-N-acetylglucosaminidase by pNP-GlcNAc substrate hydrolysis assay
50030961	1	ChEMBL_604354 (CHEMBL1068637)	Inhibition of human tissue non-specific alkaline phosphatase at pH 9.8
50030962	1	ChEMBL_604357 (CHEMBL1068640)	Inhibition of MMP2
50048220	8	ChEMBL_1633071 (CHEMBL3875863)	Inhibition of recombinant human DYRK1A (1 to 499 residues) expressed in Escherichia coli using woodtide as substrate incubated for 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting analysis
50030963	1	ChEMBL_605114 (CHEMBL1073928)	Inhibition of PARP1
50030964	1	ChEMBL_605119 (CHEMBL1073933)	Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response
50030964	2	ChEMBL_605121 (CHEMBL1073935)	Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response
50030964	3	ChEMBL_605123 (CHEMBL1064666)	Antagonist activity at LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response
50030964	4	ChEMBL_605126 (CHEMBL1064669)	Binding affinity to LPA1
50030964	5	ChEMBL_605127 (CHEMBL1064670)	Binding affinity to LPA3
50030964	6	ChEMBL_605128 (CHEMBL1064671)	Binding affinity to LPA5
50030964	7	ChEMBL_605120 (CHEMBL1073934)	Antagonist activity at LPA2 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response
50030966	1	ChEMBL_606218 (CHEMBL1067951)	Displacement of radiolabeled 1-alpha,25-(OH)2D3 from rat recombinant full length VDR
50030966	2	ChEMBL_606222 (CHEMBL1067955)	Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay
50030967	1	ChEMBL_606543 (CHEMBL1067844)	Inhibition of ABCB1 overexpressed in human CCRF-CEM/VCR1000 cell assessed as inhibition of daunomycin efflux after 30 mins by FACS analysis
50030968	1	ChEMBL_606820 (CHEMBL1068584)	Inhibition of human recombinant NPP1 assessed as release of p-nitrophenol by microtitre plate spectrophotometry
50030968	2	ChEMBL_606821 (CHEMBL1068585)	Noncompetitive inhibition of human recombinant NPP1 by Dixon plot analysis
50030969	1	ChEMBL_606822 (CHEMBL1068586)	Inhibition of human recombinant FIH1
50030970	1	ChEMBL_606824 (CHEMBL1068588)	Inhibition of FLK1
50030971	1	ChEMBL_603939 (CHEMBL1043292)	Displacement of [3H]prazosin from human adrenergic Alpha-1B receptor expressed in CHO cell membrane
50030973	1	ChEMBL_604167 (CHEMBL1039761)	Inhibition of bovine kidney alpha-L-fucosidase by para-nitrophenolate release assay
50030974	1	ChEMBL_604437 (CHEMBL1070693)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50030974	2	ChEMBL_604433 (CHEMBL1070689)	Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells
50030974	3	ChEMBL_604435 (CHEMBL1070691)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells
50030974	4	ChEMBL_604432 (CHEMBL1070688)	Binding affinity to human adenosine A3 receptor
50030974	5	ChEMBL_604440 (CHEMBL1070698)	Binding affinity to rat adenosine A3 receptor
50030977	1	ChEMBL_604689 (CHEMBL1069856)	Inhibition of mPGES1 in IL1-beta induced human A549 cells assessed as PGE2 production preincubated for 10 mins
50030977	2	ChEMBL_604678 (CHEMBL1068501)	Inhibition of mPGES1 in IL1-beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2
50030978	1	ChEMBL_605539 (CHEMBL1067293)	Inhibition of mTOR
50030978	2	ChEMBL_605540 (CHEMBL1067294)	Inhibition of PI3Kalpha
50030979	1	ChEMBL_605546 (CHEMBL1067300)	Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins
50030980	1	ChEMBL_605564 (CHEMBL1067318)	Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay
50030980	2	ChEMBL_605563 (CHEMBL1067317)	Inhibition of human cloned glutamate carboxypeptidase 2
50030981	1	ChEMBL_605565 (CHEMBL1067319)	Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake
50030982	1	ChEMBL_605571 (CHEMBL1068514)	Binding affinity to thyroid receptor beta
50030982	2	ChEMBL_605572 (CHEMBL1068515)	Binding affinity to thyroid receptor alpha
50030983	1	ChEMBL_605910 (CHEMBL1068527)	Inhibition of human HDAC1
50030983	2	ChEMBL_605911 (CHEMBL1068528)	Inhibition of human HDAC2
50030983	3	ChEMBL_605912 (CHEMBL1068529)	Inhibition of human HDAC3
50030983	4	ChEMBL_605913 (CHEMBL1068530)	Inhibition of human HDAC8
50030983	5	ChEMBL_605914 (CHEMBL1068531)	Inhibition of human HDAC4
50030983	7	ChEMBL_605916 (CHEMBL1068533)	Inhibition of human HDAC7
50030983	8	ChEMBL_605917 (CHEMBL1068534)	Inhibition of human HDAC9
50030983	9	ChEMBL_605918 (CHEMBL1068535)	Inhibition of human HDAC6
50030983	10	ChEMBL_605919 (CHEMBL1068536)	Inhibition of human HDAC10
50030983	11	ChEMBL_605920 (CHEMBL1068537)	Inhibition of human HDAC11
50030984	1	ChEMBL_605926 (CHEMBL1068543)	Inhibition of bovine platelet PDE5
50030984	2	ChEMBL_605924 (CHEMBL1068541)	Inhibition of bovine retina PDE6
50030985	1	ChEMBL_606254 (CHEMBL1069944)	Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry
50030986	1	ChEMBL_606260 (CHEMBL1069950)	Agonist activity against human 5HT2A receptor by FLIPR assay
50030986	2	ChEMBL_606262 (CHEMBL1069952)	Agonist activity against human 5HT2B receptor by FLIPR assay
50030986	3	ChEMBL_606274 (CHEMBL1069964)	Inhibition of human ERG channel
50030986	6	ChEMBL_606256 (CHEMBL1069946)	Antagonist activity against human 5HT2C receptor by FLIPR assay
50030986	7	ChEMBL_606258 (CHEMBL1069948)	Displacement of [3H]5HT from human 5HT2C receptor expressed in mouse 3T3 cells by scintillation counting
50030986	8	ChEMBL_606264 (CHEMBL1069954)	Displacement of [125I]DOI from rat 5HT2A receptor expressed in mouse 3T3 cells
50048221	1	ChEMBL_1633182 (CHEMBL3875974)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 5 mins by Ellmans method
50030987	1	ChEMBL_606311 (CHEMBL1070001)	Inhibition of human ERG channel
50030987	2	ChEMBL_606308 (CHEMBL1069998)	Inhibition of human CYP3A4
50030987	3	ChEMBL_606305 (CHEMBL1069995)	Inhibition of human CYP2C9
50030987	4	ChEMBL_606306 (CHEMBL1069996)	Inhibition of human CYP2C19
50030987	5	ChEMBL_606304 (CHEMBL1069994)	Inhibition of human CYP1A2
50030987	6	ChEMBL_606307 (CHEMBL1069997)	Inhibition of human CYP2D6
50030988	1	ChEMBL_606316 (CHEMBL1070008)	Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting
50030988	2	ChEMBL_606317 (CHEMBL1070009)	Inhibition of TGFR-1 in human HepG2 cells expressing PAI-luciferase by luciferase reporter gene assay
50030989	1	ChEMBL_606325 (CHEMBL1070647)	Binding affinity to FLAP in human PMN derived membrane
50030989	2	ChEMBL_606328 (CHEMBL1070650)	Inhibition of CYP3A4
50030989	3	ChEMBL_606329 (CHEMBL1070651)	Inhibition of CYP2C9
50030990	1	ChEMBL_606599 (CHEMBL1069850)	Inhibition of Clostridium botulinum BoNT/A
50030990	2	ChEMBL_606604 (CHEMBL1071240)	Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as decrease in SNAP25 cleavage up to 600 uM
50030990	3	ChEMBL_606605 (CHEMBL1071241)	Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as cleavage of target protein SNAP25 at 62.5 uM
50030990	4	ChEMBL_606606 (CHEMBL1071242)	Inhibition of Clostridium botulinum BoNT/A expressed in rat spinal cord neuron assessed as cleavage of target protein SNAP25 at 125 uM
50030991	1	ChEMBL_606615 (CHEMBL1071251)	Inhibition of Bacillus anthracis edema factor catalytic domain by radiometric assay
50030992	1	ChEMBL_606627 (CHEMBL1071854)	Displacement of [3H]CP-55940 from human CB1 receptor
50030992	2	ChEMBL_606628 (CHEMBL1071855)	Displacement of [3H]CP-55940 from human CB2 receptor
50030992	3	ChEMBL_606629 (CHEMBL1071856)	Agonist activity at rat brain CB2 receptor by GTPgammaS binding assay
50048222	1	ChEMBL_1633189 (CHEMBL3875981)	Inhibition of human NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phosphate dehydrogenase coupled enzyme based spectrophotometric method
50048222	2	ChEMBL_1633194 (CHEMBL3875986)	Inhibition of Staphylococcus aureus COL NADK expressed in Escherichia coli BL21(DE3) assessed as reduction in NADP production using NAD as substrate by glucose-6-phosphate dehydrogenase coupled enzyme based spectrophotometric method
50030994	1	ChEMBL_606657 (CHEMBL1071884)	Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins
50030994	2	ChEMBL_606659 (CHEMBL1071886)	Inhibition of Scd1 in human HEK293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins
50030994	3	ChEMBL_606658 (CHEMBL1071885)	Inhibition of human Scd1 expressed in HEK293A cells assessed as conversion of [14C]stearate to [14C]oleate pretreated for 30 mins measured after 4 hrs
50030995	1	ChEMBL_606887 (CHEMBL1071273)	Inhibition of PR
50030995	2	ChEMBL_606889 (CHEMBL1071275)	Agonist activity at PR in human T47D cells
50030995	3	ChEMBL_606908 (CHEMBL1072651)	Inhibition of human ERG by patch clamp technique
50030995	4	ChEMBL_606891 (CHEMBL1072634)	Inhibition of CYP2D6
50030995	5	ChEMBL_606892 (CHEMBL1072635)	Inhibition of CYP2C9
50030996	1	ChEMBL_606910 (CHEMBL1072653)	Inhibition of MK2
50030996	3	ChEMBL_606912 (CHEMBL1072655)	Inhibition of CHK2
50030996	4	ChEMBL_606913 (CHEMBL1072656)	Inhibition of pdk1
50030996	6	ChEMBL_606917 (CHEMBL1072660)	Inhibition of CDK2
50030996	7	ChEMBL_606918 (CHEMBL1072661)	Inhibition of GSK3alpha
50030996	10	ChEMBL_606922 (CHEMBL1072665)	Inhibition of PLK4
50030996	11	ChEMBL_606923 (CHEMBL1072666)	Inhibition of ROCK1
50030996	12	ChEMBL_606925 (CHEMBL1072668)	Inhibition of DYRK1A
50030996	14	ChEMBL_606927 (CHEMBL1072670)	Inhibition of PAK1
50030996	15	ChEMBL_606929 (CHEMBL1072672)	Inhibition of Ck1delta
50030996	16	ChEMBL_606930 (CHEMBL1072673)	Inhibition of MST2
50030996	17	ChEMBL_606931 (CHEMBL1072674)	Inhibition of SGK
50030996	18	ChEMBL_606932 (CHEMBL1072675)	Inhibition of PKCdelta
50030996	19	ChEMBL_606933 (CHEMBL1072676)	Inhibition of EGFR
50030996	21	ChEMBL_606935 (CHEMBL1072678)	Inhibition of AKT1
50030996	22	ChEMBL_606936 (CHEMBL1072679)	Inhibition of AKT3
50030996	23	ChEMBL_606937 (CHEMBL1072680)	Inhibition of PKCgamma
50030996	24	ChEMBL_606938 (CHEMBL1072681)	Inhibition of Aurora A
50030996	25	ChEMBL_606939 (CHEMBL1072682)	Inhibition of GSK3Beta
50030996	26	ChEMBL_606940 (CHEMBL1072683)	Inhibition of PIM1
50030996	27	ChEMBL_606941 (CHEMBL1072684)	Inhibition of PAK4 kinase domain
50030996	29	ChEMBL_606943 (CHEMBL1072686)	Inhibition of CDC4
50030996	30	ChEMBL_606944 (CHEMBL1072687)	Inhibition of MK3
50030996	31	ChEMBL_606945 (CHEMBL1072688)	Inhibition of p38-gamma
50030996	32	ChEMBL_606946 (CHEMBL1072689)	Inhibition of RSK2
50030996	33	ChEMBL_606947 (CHEMBL1072690)	Inhibition of JNK2
50030996	34	ChEMBL_606948 (CHEMBL1072691)	Inhibition of AKT2
50030996	35	ChEMBL_606949 (CHEMBL1072692)	Inhibition of ZIPK
50030996	37	ChEMBL_606951 (CHEMBL1073278)	Inhibition of LCK
50030996	38	ChEMBL_606952 (CHEMBL1073279)	Inhibition of LIMK1
50030996	39	ChEMBL_606953 (CHEMBL1073280)	Inhibition of JAK3
50030996	41	ChEMBL_606955 (CHEMBL1073282)	Inhibition of FLT3
50030996	42	ChEMBL_606956 (CHEMBL1073283)	Inhibition of SRC
50030996	43	ChEMBL_606957 (CHEMBL1073284)	Inhibition of p38delta
50030996	44	ChEMBL_606958 (CHEMBL1073285)	Inhibition of BLK
50030996	45	ChEMBL_606959 (CHEMBL1073286)	Inhibition of FLT1
50030996	46	ChEMBL_606960 (CHEMBL1073287)	Inhibition of CSF1R
50030996	47	ChEMBL_606961 (CHEMBL1073288)	Inhibition of TYK2
50030996	48	ChEMBL_606962 (CHEMBL1073289)	Inhibition of ABL
50030996	49	ChEMBL_606963 (CHEMBL1073290)	Inhibition of CAMK4
50030996	50	ChEMBL_606965 (CHEMBL1073292)	Inhibition of c-kit
50030996	51	ChEMBL_606966 (CHEMBL1073293)	Inhibition of cMET
50030996	52	ChEMBL_606967 (CHEMBL1073294)	Inhibition of EPHA2
50030996	53	ChEMBL_606968 (CHEMBL1073295)	Inhibition of ERBB2
50030996	54	ChEMBL_606969 (CHEMBL1073296)	Inhibition of ERBB4
50030996	55	ChEMBL_606970 (CHEMBL1073297)	Inhibition of ERK2
50030996	56	ChEMBL_606971 (CHEMBL1073298)	Inhibition of FGFR1
50030996	57	ChEMBL_606972 (CHEMBL1073299)	Inhibition of FGFR3
50030996	58	ChEMBL_606973 (CHEMBL1073300)	Inhibition of FYN
50030996	59	ChEMBL_606974 (CHEMBL1073301)	Inhibition of IGFR1R
50030996	60	ChEMBL_606975 (CHEMBL1073302)	Inhibition of INSR
50030996	61	ChEMBL_606976 (CHEMBL1073303)	Inhibition of IRAK4
50030996	62	ChEMBL_606977 (CHEMBL1073304)	Inhibition of ITK
50030996	63	ChEMBL_606978 (CHEMBL1073305)	Inhibition of JAK2
50030996	64	ChEMBL_606979 (CHEMBL1073306)	Inhibition of KDR
50030996	65	ChEMBL_606980 (CHEMBL1073307)	Inhibition of LYN
50030996	66	ChEMBL_606981 (CHEMBL1073308)	Inhibition of NEK2
50030996	67	ChEMBL_606982 (CHEMBL1073309)	Inhibition of P70S6K
50030996	68	ChEMBL_606983 (CHEMBL1073310)	Inhibition of PIM2
50030996	69	ChEMBL_606984 (CHEMBL1073311)	Inhibition of PLK1
50030996	70	ChEMBL_606985 (CHEMBL1073312)	Inhibition of PLK3
50030996	71	ChEMBL_606986 (CHEMBL1073313)	Inhibition of TRKA
50030996	72	ChEMBL_606987 (CHEMBL1073314)	Inhibition of TRKB
50030996	73	ChEMBL_606988 (CHEMBL1073315)	Inhibition of COT
50030996	74	ChEMBL_606989 (CHEMBL1073316)	Inhibition of SYK
50030997	4	ChEMBL_603011 (CHEMBL1045614)	Inhibition of human mGluR2
50030997	5	ChEMBL_603012 (CHEMBL1045615)	Inhibition of human mGluR7
50030997	6	ChEMBL_603017 (CHEMBL1045620)	Displacement of [3H]ABP688 from mGluR5 in rat brain cortex
50048223	1	ChEMBL_1633217 (CHEMBL3876009)	Inhibition of Escherichia coli K12 thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate addition measured up to 20 mins by Uv-vis spectrophotometric method
50048223	2	ChEMBL_1633221 (CHEMBL3876013)	Inhibition of human thymidine phosphorylase using thymidine as substrate preincubated for 30 mins followed substrate addition measured up to 30 mins
50048223	3	ChEMBL_1633220 (CHEMBL3876012)	Inhibition of thymidine phosphorylase (unknown origin)
50048223	4	ChEMBL_1633216 (CHEMBL3876008)	Inhibition of Escherichia coli K12 thymidine phosphorylase expressed in Escherichia coli preincubated for 10 mins followed by substrate addition measured up to 30 mins by spectrophotometric method
50048223	5	ChEMBL_1633215 (CHEMBL3876007)	Inhibition of human placenta thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting method
50048224	1	ChEMBL_1633304 (CHEMBL3876096)	Inhibition of human recombinant GST-tagged ALK4 catalytic domain (150 to 505 residues) expressed in baculovirus expression system
50048224	2	ChEMBL_1633309 (CHEMBL3876101)	Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system
50048224	3	ChEMBL_1633279 (CHEMBL3876071)	Inhibition of human recombinant full length GST-tagged IKKepsilon expressed in baculovirus expression system
50048224	4	ChEMBL_1633316 (CHEMBL3876108)	Inhibition of human recombinant full length His-tagged MAP2K6 expressed in baculovirus expression system
50048224	5	ChEMBL_1633325 (CHEMBL3876117)	Inhibition of human recombinant GST-tagged PASK catalytic domain (879 to 1323 residues) expressed in baculovirus expression system
50048224	6	ChEMBL_1633332 (CHEMBL3876124)	Inhibition of human recombinant full length His-tagged PRKCQ expressed in baculovirus expression system
50030998	2	ChEMBL_603036 (CHEMBL1047697)	Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD
50048224	7	ChEMBL_1633336 (CHEMBL3876128)	Inhibition of human recombinant N-terminal GST-tagged ROCK2 cytoplasmic domain (1 to 552 residues) expressed in baculovirus expression system
50048224	8	ChEMBL_1633342 (CHEMBL3876134)	Inhibition of human recombinant full length His-tagged ZAP70 cytoplasmic domain expressed in baculovirus expression system
50048224	9	ChEMBL_1633231 (CHEMBL3876023)	Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay
50030999	2	ChEMBL_603046 (CHEMBL1047707)	Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay
50048224	10	ChEMBL_1633232 (CHEMBL3876024)	Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by AlphaLisa assay
50048224	11	ChEMBL_1633233 (CHEMBL3876025)	Inhibition of BRSK2 (unknown origin)
50048224	12	ChEMBL_1633252 (CHEMBL3876044)	Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system
50048224	13	ChEMBL_1633256 (CHEMBL3876048)	Inhibition of human recombinant His-tagged FGFR2 cytoplasmic domain (403 to 822 residues) expressed in baculovirus expression system
50048224	14	ChEMBL_1633321 (CHEMBL3876113)	Inhibition of human recombinant full length His-tagged MAPKAPK5 expressed in baculovirus expression system
50048224	15	ChEMBL_1633282 (CHEMBL3876074)	Inhibition of human recombinant full length His-tagged CSNK2A1 expressed in baculovirus expression system
50048224	16	ChEMBL_1633271 (CHEMBL3876063)	Inhibition of human recombinant His-tagged KDR cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system
50048224	17	ChEMBL_1633264 (CHEMBL3876056)	Inhibition of human recombinant GST-tagged TEK cytoplasmic domain (817 to 1101 residues) expressed in baculovirus expression system
50048224	18	ChEMBL_1633294 (CHEMBL3876086)	Inhibition of human recombinant full length GST-tagged MST4 expressed in baculovirus expression system
50048224	19	ChEMBL_1633278 (CHEMBL3876070)	Inhibition of human recombinant full length GST-tagged IKKbeta expressed in baculovirus expression system
50048224	20	ChEMBL_1633341 (CHEMBL3876133)	Inhibition of human recombinant N-terminal GST-tagged TYK2 cytoplasmic domain (833 to 1187 residues) expressed in baculovirus expression system
50048224	21	ChEMBL_1633340 (CHEMBL3876132)	Inhibition of human recombinant full length GST-tagged TBK1 expressed in insect expression system
50048224	22	ChEMBL_1633250 (CHEMBL3876042)	Inhibition of human recombinant His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system
50048224	23	ChEMBL_1633281 (CHEMBL3876073)	Inhibition of human recombinant full length His-tagged IRAK4 expressed in baculovirus expression system
50048224	24	ChEMBL_1633263 (CHEMBL3876055)	Inhibition of human recombinant GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system
50031000	1	ChEMBL_603079 (CHEMBL1048562)	Agonist activity at rat mu opioid receptor assessed as stimulation of [35]SGTPgammaS binding
50031000	2	ChEMBL_603076 (CHEMBL1048559)	Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting
50031000	3	ChEMBL_603077 (CHEMBL1048560)	Displacement of [3H]diprenorphine from rat mu receptor expressed in CHO cells by scintillation counting
50031000	4	ChEMBL_603078 (CHEMBL1048561)	Displacement of [3H]diprenorphine from rat delta receptor expressed in CHO cells by scintillation counting
50031001	1	ChEMBL_603081 (CHEMBL1048564)	Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells
50031001	2	ChEMBL_603082 (CHEMBL1048565)	Displacement of labeled paroxetine from 5-HT transporter
50031001	3	ChEMBL_603083 (CHEMBL1038805)	Agonist activity at human 5HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-induced adenylate cyclase activity
50048224	25	ChEMBL_1633265 (CHEMBL3876057)	Inhibition of human recombinant full length His-tagged ABL1 cytoplasmic domain expressed in baculovirus expression system
50048224	26	ChEMBL_1633266 (CHEMBL3876058)	Inhibition of human recombinant GST-tagged JAK2 cytoplasmic domain (809 to 1153 +9 residues) expressed in baculovirus expression system
50048224	27	ChEMBL_1633267 (CHEMBL3876059)	Inhibition of human recombinant GST-tagged INSR cytoplasmic domain (1011 to 1382 residues) expressed in baculovirus expression system
50048224	28	ChEMBL_1633269 (CHEMBL3876061)	Inhibition of human recombinant GST-tagged MAP3K8 catalytic domain (30 to 397 residues) expressed in baculovirus expression system
50048224	29	ChEMBL_1633270 (CHEMBL3876062)	Inhibition of human recombinant full length His-tagged BMX cytoplasmic domain expressed in baculovirus expression system
50048224	30	ChEMBL_1633272 (CHEMBL3876064)	Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in baculovirus expression system
50048224	31	ChEMBL_1633289 (CHEMBL3876081)	Inhibition of human recombinant full length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system
50048224	32	ChEMBL_1633290 (CHEMBL3876082)	Inhibition of human recombinant full length GST-tagged BRAF expressed in baculovirus expression system
50031003	1	ChEMBL_603253 (CHEMBL1049477)	Inhibition of GST-tagged human LCK by scintillation counting
50031003	2	ChEMBL_603254 (CHEMBL1049478)	Inhibition of SRC
50031003	3	ChEMBL_603255 (CHEMBL1049479)	Inhibition of Csk
50031003	4	ChEMBL_603256 (CHEMBL1049480)	Inhibition of Zap70
50031003	5	ChEMBL_603257 (CHEMBL1049481)	Inhibition of MEK1
50031003	6	ChEMBL_603259 (CHEMBL1049483)	Inhibition of PKBalpha
50048224	33	ChEMBL_1633291 (CHEMBL3876083)	Inhibition of human recombinant C-terminal His-tagged IGF1R cytoplasmic domain (960 to 1397 residues) expressed in baculovirus expression system
50031003	8	ChEMBL_603261 (CHEMBL1049485)	Inhibition of CDK1
50031003	9	ChEMBL_603262 (CHEMBL1049486)	Inhibition of CamK4
50031003	10	ChEMBL_603263 (CHEMBL1049487)	Inhibition of MAPK1
50031004	1	ChEMBL_603267 (CHEMBL1049491)	Inhibition of Src
50031004	2	ChEMBL_603268 (CHEMBL1049492)	Inhibition of Csk
50031004	3	ChEMBL_603269 (CHEMBL1049493)	Inhibition of ZAP70
50031004	4	ChEMBL_603270 (CHEMBL1049494)	Inhibition of MEK1
50031004	5	ChEMBL_603272 (CHEMBL1049496)	Inhibition of PKB
50031004	6	ChEMBL_603274 (CHEMBL1049498)	Inhibition of Abl
50031004	7	ChEMBL_603276 (CHEMBL1049500)	Inhibition of CDK1
50031005	1	ChEMBL_603288 (CHEMBL1049512)	Inhibition of human liver CYP1A2
50031005	2	ChEMBL_603289 (CHEMBL1049513)	Inhibition of human liver CYP2C9
50031005	3	ChEMBL_603290 (CHEMBL1049514)	Inhibition of human liver CYP2C19
50031005	4	ChEMBL_603291 (CHEMBL1049515)	Inhibition of human liver CYP2D6
50031005	5	ChEMBL_603292 (CHEMBL1049516)	Inhibition of human liver CYP3A4
50031006	1	ChEMBL_603294 (CHEMBL1049518)	Inhibition of JAK2 in granulocyte macrophage colony stimulating factor-stimulated human TF1 cells assessed as phosphorylation of STAT5
50031006	2	ChEMBL_603293 (CHEMBL1049517)	Inhibition of JAK2 by radiometric assay
50048224	34	ChEMBL_1633293 (CHEMBL3876085)	Inhibition of human recombinant full length His-tagged CHEK2 expressed in baculovirus expression system
50048224	35	ChEMBL_1633295 (CHEMBL3876087)	Inhibition of human recombinant full length His-tagged GSK3B expressed in baculovirus expression system
50048224	36	ChEMBL_1633296 (CHEMBL3876088)	Inhibition of human recombinant full length His-tagged STK22D expressed in baculovirus expression system
50048224	37	ChEMBL_1633297 (CHEMBL3876089)	Inhibition of human recombinant GST-tagged JAK3 cytoplasmic domain (781 to 1124 residues) expressed in baculovirus expression system
50048224	38	ChEMBL_1633302 (CHEMBL3876094)	Inhibition of human recombinant full length His-tagged AKT2beta expressed in baculovirus expression system
50048224	39	ChEMBL_1633305 (CHEMBL3876097)	Inhibition of human recombinant full length GST-tagged CAMK4 expressed in Escherichia coli
50048224	40	ChEMBL_1633306 (CHEMBL3876098)	Inhibition of human recombinant full length His-tagged CHEK1 expressed in baculovirus expression system
50048224	41	ChEMBL_1633308 (CHEMBL3876100)	Inhibition of human recombinant N-terminal GST-tagged DAPK1 catalytic domain (1 to 363 residues) expressed in baculovirus expression system
50048224	42	ChEMBL_1633276 (CHEMBL3876068)	Inhibition of human recombinant His-tagged ERBB2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system
50048224	43	ChEMBL_1633311 (CHEMBL3876103)	Inhibition of human recombinant full length GST-tagged GRK4 expressed in baculovirus expression system
50048224	44	ChEMBL_1633312 (CHEMBL3876104)	Inhibition of human recombinant full length GST-tagged GRK6 expressed in baculovirus expression system
50048224	45	ChEMBL_1633314 (CHEMBL3876106)	Inhibition of human recombinant GST-tagged JAK1 cytoplasmic domain (866 to 1154 residues) expressed in baculovirus expression system
50031008	1	ChEMBL_603300 (CHEMBL1049524)	Inhibition of MAO-B in rat liver homogenate by spectrophotometry-based Holt method
50031008	2	ChEMBL_603299 (CHEMBL1049523)	Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method
50031009	1	ChEMBL_603302 (CHEMBL1037992)	Inhibition of EG5 after 2 hrs
50031010	1	ChEMBL_603319 (CHEMBL1038009)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced increase in intracellular cAMP level by cAMP-LANCE method
50031010	2	ChEMBL_603321 (CHEMBL1038011)	Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as reduction of histamine-induced intracellular calcium spike at phase 2 treated 20 to 30 seconds after histamine challenge
50031010	3	ChEMBL_603320 (CHEMBL1038010)	Antagonist activity at histamine H1 receptor in human SK-N-SH cells assessed as histamine-induced maximum intracellular calcium spike at phase 1 treated 10 to 15 seconds before histamine challenge
50031011	1	ChEMBL_603499 (CHEMBL1046057)	Inhibition of MMP2
50048224	46	ChEMBL_1633315 (CHEMBL3876107)	Inhibition of human recombinant full length His-tagged MAP2K1 expressed in baculovirus expression system
50048224	47	ChEMBL_1633319 (CHEMBL3876111)	Inhibition of human recombinant full length His-tagged MAPK9 expressed in baculovirus expression system
50048224	48	ChEMBL_1633320 (CHEMBL3876112)	Inhibition of human recombinant full length His-tagged MAPKAPK2 expressed in Escherichia coli
50048224	49	ChEMBL_1633277 (CHEMBL3876069)	Inhibition of human recombinant GST-tagged MINK1 catalytic domain (1 to 320 residues) expressed in baculovirus expression system
50048224	50	ChEMBL_1633327 (CHEMBL3876119)	Inhibition of human recombinant full length GST-tagged PKN1 expressed in baculovirus expression system
50048224	51	ChEMBL_1633329 (CHEMBL3876121)	Inhibition of human recombinant full length His-tagged PLK1 expressed in baculovirus expression system
50048224	52	ChEMBL_1633333 (CHEMBL3876125)	Inhibition of human recombinant full length PRKCZ expressed in baculovirus expression system
50048224	53	ChEMBL_1633334 (CHEMBL3876126)	Inhibition of human recombinant full length His-tagged PTK6 cytoplasmic domain expressed in baculovirus expression system
50048224	54	ChEMBL_1633338 (CHEMBL3876130)	Inhibition of human recombinant GST-tagged SGK cytoplasmic domain (60 to 431 residues) expressed in baculovirus expression system
50048224	55	ChEMBL_1633283 (CHEMBL3876075)	Inhibition of human recombinant full length N-terminal GST-tagged SYK cytoplasmic domain expressed in baculovirus expression system
50031013	2	ChEMBL_603509 (CHEMBL1068428)	Inhibition of PI3Kgamma
50031013	3	ChEMBL_603510 (CHEMBL1068429)	Inhibition of mTOR
50048224	56	ChEMBL_1633339 (CHEMBL3876131)	Inhibition of human recombinant GST-tagged TAOK2 cytoplasmic domain (1 to 314 residues) expressed in baculovirus expression system
50031013	4	ChEMBL_603514 (CHEMBL1068433)	Inhibition of PI3Kalpha in human MDA-MB-361 cells assessed as reduction of phosphorylated Akt (T308) level after 4 hrs by Western blotting
50031014	1	ChEMBL_603517 (CHEMBL1068436)	Inhibition of human 17beta-HSD3 expressed in HeLa cells
50031014	2	ChEMBL_603516 (CHEMBL1068435)	Antagonist activity at AR by reporter gene assay
50031014	3	ChEMBL_603520 (CHEMBL1068439)	Agonist activity at ER by reporter gene assay
50031015	1	ChEMBL_603531 (CHEMBL1068450)	Binding affinity to 5HT1A receptor
50048224	57	ChEMBL_1633273 (CHEMBL3876065)	Inhibition of human recombinant full length His-tagged PIK3 P110D/P85A expressed in baculovirus expression system
50031015	3	ChEMBL_603527 (CHEMBL1068446)	Binding affinity to DAT
50031015	4	ChEMBL_603525 (CHEMBL1068444)	Binding affinity to sigma 1 receptor
50031015	5	ChEMBL_603566 (CHEMBL1069121)	Binding affinity to NET
50031015	6	ChEMBL_603549 (CHEMBL1068468)	Binding affinity to Alpha2C adrenoceptor receptor
50048224	58	ChEMBL_1633274 (CHEMBL3876066)	Inhibition of human recombinant full length GST-tagged SPHK1 expressed in baculovirus expression system
50031016	2	ChEMBL_603569 (CHEMBL1069124)	Inhibition of human pancreatic carboxypeptidase B
50048224	59	ChEMBL_1633328 (CHEMBL3876120)	Inhibition of human recombinant full length His-tagged PIM1 expressed in baculovirus expression system
50048224	60	ChEMBL_1633298 (CHEMBL3876090)	Inhibition of human full length N-terminal GST-tagged GSK3A expressed in baculovirus expression system
50048224	61	ChEMBL_1633284 (CHEMBL3876076)	Inhibition of human recombinant full length His-tagged SRPK1 expressed in baculovirus expression system
50048224	62	ChEMBL_1633246 (CHEMBL3876038)	Inhibition of human recombinant His-tagged FLT3 cytoplasmic domain (564 to 958 residues) expressed in baculovirus expression system
50048224	63	ChEMBL_1633251 (CHEMBL3876043)	Inhibition of human recombinant His-tagged KIT cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system
50048224	64	ChEMBL_1633249 (CHEMBL3876041)	Inhibition of human recombinant His-tagged NTRK3 cytoplasmic domain (510 to 825 residues) expressed in baculovirus expression system
50048224	65	ChEMBL_1633247 (CHEMBL3876039)	Inhibition of human recombinant full length His-tagged AURKB expressed in baculovirus expression system
50048224	66	ChEMBL_1633255 (CHEMBL3876047)	Inhibition of human recombinant His-tagged NTRK1 cytoplasmic domain (441 to 796 residues) expressed in baculovirus expression system
50048224	67	ChEMBL_1633337 (CHEMBL3876129)	Inhibition of human recombinant GST-tagged RPS6KB1 cytoplasmic domain (1 to 421 residues) expressed in baculovirus expression system
50048224	68	ChEMBL_1633262 (CHEMBL3876054)	Inhibition of human recombinant full length C-terminal His-tagged LCK cytoplasmic domain expressed in baculovirus expression system
50048224	69	ChEMBL_1633288 (CHEMBL3876080)	Inhibition of human full length N-terminal GST-tagged HCK cytoplasmic domain expressed in baculovirus expression system
50048224	70	ChEMBL_1633300 (CHEMBL3876092)	Inhibition of human recombinant full length His-tagged ADRBK1 expressed in baculovirus expression system
50048224	71	ChEMBL_1633280 (CHEMBL3876072)	Inhibition of human recombinant GST-tagged IRAK1 catalytic domain (194 to 712 residues) expressed in baculovirus expression system
50048224	72	ChEMBL_1633245 (CHEMBL3876037)	Inhibition of human recombinant full length His-tagged NUAK1 expressed in baculovirus expression system
50031018	1	ChEMBL_603589 (CHEMBL1071141)	Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50031018	2	ChEMBL_603591 (CHEMBL1071143)	Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay
50031018	3	ChEMBL_603593 (CHEMBL1071145)	Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay
50031018	4	ChEMBL_603727 (CHEMBL1039350)	Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay
50031019	1	ChEMBL_603744 (CHEMBL1039369)	Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding
50031019	2	ChEMBL_603745 (CHEMBL1039370)	Inverse agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as stimulation of GTPgammaS binding
50031020	1	ChEMBL_603747 (CHEMBL1039372)	Inhibition of trypsin-activated human recombinant renin
50031020	2	ChEMBL_603748 (CHEMBL1039373)	Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasma
50031021	1	ChEMBL_603779 (CHEMBL1042917)	Inhibition of human cathepsin D by FRET assay
50048224	73	ChEMBL_1633330 (CHEMBL3876122)	Inhibition of human recombinant His-tagged PRKACA catalytic domain (1 to 351 residues) expressed in Escherichia coli
50048224	74	ChEMBL_1633344 (CHEMBL3876136)	Inhibition of human recombinant full length His-tagged MAPK8 expressed in baculovirus expression system
50048224	75	ChEMBL_1633323 (CHEMBL3876115)	Inhibition of human recombinant full length GST-tagged NEK6 expressed in insect expression system
50048224	76	ChEMBL_1633275 (CHEMBL3876067)	Inhibition of human recombinant GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system
50048224	77	ChEMBL_1633301 (CHEMBL3876093)	Inhibition of human recombinant full length His-tagged AKT1alpha expressed in baculovirus expression system
50031021	3	ChEMBL_603777 (CHEMBL1042915)	Inhibition of human BACE2 by FRET assay
50048224	78	ChEMBL_1633253 (CHEMBL3876045)	Inhibition of human recombinant full length His-tagged PDK1 expressed in baculovirus expression system
50031021	4	ChEMBL_603778 (CHEMBL1042916)	Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA
50048224	79	ChEMBL_1633248 (CHEMBL3876040)	Inhibition of human full length wild type DYKDDDDK-tagged LRRK2 expressed in baculovirus expression system
50048224	80	ChEMBL_1633258 (CHEMBL3876050)	Inhibition of human recombinant full length GST/His-tagged CDK5/P25 expressed in baculovirus expression system
50048224	81	ChEMBL_1633261 (CHEMBL3876053)	Inhibition of human recombinant full length His-tagged CDK7/cyclin H/MNAT1 expressed in baculovirus expression system
50048224	82	ChEMBL_1633268 (CHEMBL3876060)	Inhibition of human recombinant N-terminal His-tagged MET cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system
50048224	83	ChEMBL_1633287 (CHEMBL3876079)	Inhibition of human recombinant full length GST-tagged MAPK1 expressed in Escherichia coli
50048224	84	ChEMBL_1633286 (CHEMBL3876078)	Inhibition of human recombinant His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system
50048224	85	ChEMBL_1633303 (CHEMBL3876095)	Inhibition of human recombinant full length His-tagged AKT3gamma expressed in baculovirus expression system
50048224	86	ChEMBL_1633307 (CHEMBL3876099)	Inhibition of human recombinant full length GST-tagged CSNK1A1 expressed in baculovirus expression system
50048224	87	ChEMBL_1633310 (CHEMBL3876102)	Inhibition of human recombinant GST-tagged EPHA8 cytoplasmic domain (565 to 1005 residues) expressed in baculovirus expression system
50048224	88	ChEMBL_1633313 (CHEMBL3876105)	Inhibition of human recombinant full length GST-tagged ITK cytoplasmic domain expressed in baculovirus expression system
50048224	89	ChEMBL_1633317 (CHEMBL3876109)	Inhibition of human recombinant full length His-tagged MAPK13 expressed in baculovirus expression system
50048224	90	ChEMBL_1633322 (CHEMBL3876114)	Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system
50048224	91	ChEMBL_1633331 (CHEMBL3876123)	Inhibition of human recombinant full length His-tagged PRKCI expressed in baculovirus expression system
50048224	92	ChEMBL_1633335 (CHEMBL3876127)	Inhibition of human recombinant GST-tagged ROCK1 cytoplasmic domain (1 to 535 residues) expressed in baculovirus expression system
50048224	93	ChEMBL_1633343 (CHEMBL3876135)	Inhibition of human recombinant full length GST-tagged NEK4 expressed in baculovirus expression system
50048224	94	ChEMBL_1633318 (CHEMBL3876110)	Inhibition of human recombinant full length GST-tagged MAPK14alpha expressed in Escherichia coli
50048224	95	ChEMBL_1633260 (CHEMBL3876052)	Inhibition of human recombinant full length His-tagged RPS6KA3 expressed in baculovirus expression system
50048224	96	ChEMBL_1633292 (CHEMBL3876084)	Inhibition of human recombinant GST-tagged EPHB2 cytoplasmic domain (616 to 884 residues) expressed in baculovirus expression system
50048224	97	ChEMBL_1633324 (CHEMBL3876116)	Inhibition of human recombinant full length GST-tagged PAK1 expressed in baculovirus expression system
50048224	98	ChEMBL_1633254 (CHEMBL3876046)	Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha2/beta1/gamma1 expressed in baculovirus expression system
50048224	99	ChEMBL_1633259 (CHEMBL3876051)	Inhibition of human recombinant full length C-terminal His-tagged SRC cytoplasmic domain expressed in baculovirus expression system
50048224	100	ChEMBL_1633257 (CHEMBL3876049)	Inhibition of CDK2 (unknown origin)
50048224	101	ChEMBL_1633285 (CHEMBL3876077)	Inhibition of human recombinant His-tagged CDC42BPA catalytic domain (1 to 473 residues) expressed in baculovirus expression system
50048225	1	ChEMBL_1633352 (CHEMBL3876144)	Inhibition of wild type eXact-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in microtubule-stimulated ATPase activity preincubated for 15 mins followed by microtubule addition in the presence of ATP after 6 mins by malachite green method
50048226	1	ChEMBL_1633575 (CHEMBL3876367)	Displacement of [3H]pirenzepine from human recombinant M1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	2	ChEMBL_1633582 (CHEMBL3876374)	Displacement of [3H]SR142801 from human recombinant NK3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	3	ChEMBL_1633589 (CHEMBL3876381)	Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	4	ChEMBL_1633600 (CHEMBL3876392)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	5	ChEMBL_1633544 (CHEMBL3876336)	Displacement of [3H]DPCPX from human recombinant adenosine receptor A1 expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	6	ChEMBL_1633554 (CHEMBL3876346)	Displacement of [3H]PK 11195 from rat heart peripheral-type benzodiazepine receptor measured after 15 mins by scintillation counting method
50048226	7	ChEMBL_1633560 (CHEMBL3876352)	Displacement of [125I]CCK-8s from human recombinant CCK2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	8	ChEMBL_1633567 (CHEMBL3876359)	Displacement of [125I]endothelin-1 from human recombinant ETB receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	9	ChEMBL_1633577 (CHEMBL3876369)	Displacement of [3H]4-DAMP from human recombinant M3 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50031024	3	ChEMBL_604018 (CHEMBL1049546)	Displacement of [3H]TO901317 from human recombinant LXRalpha expressed in Escherichia coli by flashplate method
50048226	10	ChEMBL_1633565 (CHEMBL3876357)	Displacement of [3H]SCH 23390 from human recombinant D5 receptor expressed in GH4 cells measured after 60 mins by scintillation counting method
50048226	11	ChEMBL_1633557 (CHEMBL3876349)	Displacement of [125I]hCGRPa from human recombinant CGRP receptor expressed in CHO cells measured after 90 mins by scintillation counting method
50048226	12	ChEMBL_1633562 (CHEMBL3876354)	Displacement of [3H]methyl-spiperone from human recombinant dopamine D2S receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	13	ChEMBL_1633563 (CHEMBL3876355)	Displacement of [3H]methyl-spiperone from human recombinant dopamine D3 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50031025	1	ChEMBL_604207 (CHEMBL1050352)	Inhibition of CYP3A4
50031025	2	ChEMBL_604208 (CHEMBL1050353)	Inhibition of CYP2C9
50031025	3	ChEMBL_604209 (CHEMBL1050354)	Inhibition of CYP2C19
50031026	4	ChEMBL_604237 (CHEMBL1050382)	Binding affinity to NK1 receptor
50031026	5	ChEMBL_604238 (CHEMBL1050383)	Binding affinity to kappa opioid receptor
50031026	6	ChEMBL_604239 (CHEMBL1050384)	Binding affinity to ghrelin receptor
50048226	14	ChEMBL_1633573 (CHEMBL3876365)	Displacement of [125I]NDP-a-MSH from human recombinant MC4 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	15	ChEMBL_1633574 (CHEMBL3876366)	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	16	ChEMBL_1633578 (CHEMBL3876370)	Displacement of [3H]4-DAMP from human recombinant M4 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	17	ChEMBL_1633580 (CHEMBL3876372)	Displacement of [125I]BH-SP from NK1 receptor in human U373MG cells measured after 30 mins by scintillation counting method
50048226	18	ChEMBL_1633583 (CHEMBL3876375)	Displacement of [125I]peptide YY from Y1 receptor in human SK-N-MC cells measured after 120 mins by scintillation counting method
50048226	19	ChEMBL_1633585 (CHEMBL3876377)	Displacement of [125I]Tyr3-neurotensin from human recombinant NTS1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	20	ChEMBL_1633587 (CHEMBL3876379)	Displacement of [3H]U 69593 from human recombinant kappa-opioid receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	21	ChEMBL_1633588 (CHEMBL3876380)	Displacement of [3H]DAMGO from human recombinant mu-opioid receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	22	ChEMBL_1633594 (CHEMBL3876386)	Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	23	ChEMBL_1633595 (CHEMBL3876387)	Displacement of [3H]iloprost from human recombinant IP receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	24	ChEMBL_1633599 (CHEMBL3876391)	Displacement of [125I]CYP from rat cerebral cortex 5HT1B receptor measured after 120 mins by scintillation counting method
50048226	25	ChEMBL_1633603 (CHEMBL3876395)	Displacement of [3H]BRL 43694 from human recombinant 5HT3 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	26	ChEMBL_1633604 (CHEMBL3876396)	Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	27	ChEMBL_1633606 (CHEMBL3876398)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	28	ChEMBL_1633608 (CHEMBL3876400)	Displacement of [3H]dexamethasone from GR receptor in human IM9 cells
50048226	29	ChEMBL_1633617 (CHEMBL3876409)	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	30	ChEMBL_1633559 (CHEMBL3876351)	Displacement of [125I]CCK-8s from human recombinant CCK1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	31	ChEMBL_1633579 (CHEMBL3876371)	Displacement of [3H]4-DAMP from human recombinant M5 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	32	ChEMBL_1633602 (CHEMBL3876394)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	33	ChEMBL_1633618 (CHEMBL3876410)	Displacement of [3H]imipramine from human recombinant 5HT transporter expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	34	ChEMBL_1633581 (CHEMBL3876373)	Displacement of [125I]NKA from human recombinant NK2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	35	ChEMBL_1633572 (CHEMBL3876364)	Displacement of [125I]APT from human recombinant H2 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50031027	3	ChEMBL_604245 (CHEMBL1050390)	Inhibition of cathepsin D
50031027	4	ChEMBL_604246 (CHEMBL1050391)	Inhibition of cathepsin E
50048226	36	ChEMBL_1633558 (CHEMBL3876350)	Displacement of [3H]CP 55940 from human recombinant CB1 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	37	ChEMBL_1633584 (CHEMBL3876376)	Displacement of [125I]peptide YY from Y2 receptor in human KAN-TS cells measured after 60 mins by scintillation counting method
50048226	38	ChEMBL_1633598 (CHEMBL3876390)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	39	ChEMBL_1633611 (CHEMBL3876403)	Displacement of [3H]AVP from human recombinant V1a receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	40	ChEMBL_1633546 (CHEMBL3876338)	Displacement of [125I]AB-MECA from human recombinant adenosine receptor A3 expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	41	ChEMBL_1633590 (CHEMBL3876382)	Displacement of [125I]PACAP1-27 from human recombinant PAC1 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	42	ChEMBL_1633549 (CHEMBL3876341)	Displacement of [3H]CGP 12177 from human recombinant beta1 adrenergic receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	43	ChEMBL_1633569 (CHEMBL3876361)	Displacement of [125I]galanin from human recombinant GAL1 receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	44	ChEMBL_1633545 (CHEMBL3876337)	Displacement of [3H]CGS 21680 from human recombinant adenosine receptor A2A expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	45	ChEMBL_1633552 (CHEMBL3876344)	Displacement of [125I]CGP 42112A from human recombinant AT2 receptor expressed in HEK293 cells measured after 4 hrs by scintillation counting method
50048226	46	ChEMBL_1633556 (CHEMBL3876348)	Displacement of [3H]bradykinin from human recombinant bradykinin B2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	47	ChEMBL_1633561 (CHEMBL3876353)	Displacement of [3H]SCH 23390 from human recombinant dopamine D1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	48	ChEMBL_1633566 (CHEMBL3876358)	Displacement of [125I]endothelin-1 from human recombinant ETA receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	49	ChEMBL_1633571 (CHEMBL3876363)	Displacement of [3H]pyrilamine from human recombinant H1 receptor expressed in HEK293 cells measured after 60 mins by scintillation counting method
50048226	50	ChEMBL_1633576 (CHEMBL3876368)	Displacement of [3H]AF-DX 384 from human recombinant M2 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	51	ChEMBL_1633586 (CHEMBL3876378)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	52	ChEMBL_1633591 (CHEMBL3876383)	Displacement of [3H]rosiglitazone from human recombinant PPAR-gamma receptor expressed in Escherichia coli measured after 120 mins by scintillation counting method
50048226	53	ChEMBL_1633601 (CHEMBL3876393)	Displacement of [125I]DOI from human recombinant 5HT2B receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	54	ChEMBL_1633605 (CHEMBL3876397)	Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	55	ChEMBL_1633610 (CHEMBL3876402)	Displacement of [125I]VIP from human recombinant VPAC1 receptor expressed in CHO cells measured after 60 mins by scintillation counting method
50048226	56	ChEMBL_1633616 (CHEMBL3876408)	Displacement of [3H]nisoxetine from human recombinant norepinephrine transporter expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	57	ChEMBL_1633550 (CHEMBL3876342)	Displacement of [3H]CGP 12177 from human recombinant beta2 adrenergic receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	58	ChEMBL_1633570 (CHEMBL3876362)	Displacement of [125I]galanin from human recombinant GAL2 receptor expressed in CHO cells measured after 120 mins by scintillation counting method
50048226	59	ChEMBL_1633593 (CHEMBL3876385)	Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048226	60	ChEMBL_1633551 (CHEMBL3876343)	Displacement of [125I][Sar1,Ile8]-AT2 from human recombinant AT1 receptor expressed in HEK293 cells measured after 120 mins by scintillation counting method
50048227	1	ChEMBL_1633629 (CHEMBL3876421)	Inhibition of biotin labelled VEGF165 binding to rat recombinant NRP-1/Fc chimeric protein incubated for overnight by competitive ELISA method
50048228	1	ChEBML_1633657	Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	2	ChEBML_1633656	Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50031029	1	ChEMBL_604509 (CHEMBL1074679)	Inhibition of mTOR in HEK293 cells by DELFIA assay
50031029	2	ChEMBL_604510 (CHEMBL1074680)	Inhibition of PI3Kalpha by fluorescence polarization assay
50031030	1	ChEMBL_604516 (CHEMBL1074686)	Inhibition of FBPase in mouse liver
50048228	3	ChEBML_1633659	Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	4	ChEBML_1633660	Agonist activity at recombinant human S1PR2 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	9	ChEMBL_1633656 (CHEMBL3876448)	Agonist activity at recombinant human S1PR5 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	10	ChEMBL_1633657 (CHEMBL3876449)	Agonist activity at recombinant human S1PR4 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	7	ChEMBL_1633661 (CHEMBL3876453)	Agonist activity at recombinant human S1PR3 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	11	ChEMBL_1633659 (CHEMBL3876451)	Agonist activity at recombinant human S1PR1 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50048228	12	ChEMBL_1633660 (CHEMBL3876452)	Agonist activity at recombinant human S1PR2 expressed in CHO cell membranes assessed as [35S]GTP-gammaS binding measured after 1.5 hrs by TopCount scintillation counting method
50031031	1	ChEMBL_604538 (CHEMBL1074708)	Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay
50031031	2	ChEMBL_604539 (CHEMBL1074709)	Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid after 30 mins by ELISA
50031031	3	ChEMBL_604540 (CHEMBL1074710)	Inhibition of CYP2J2
50031031	4	ChEMBL_604541 (CHEMBL1074711)	Inhibition of CYP2C9
50031031	5	ChEMBL_604542 (CHEMBL1074712)	Inhibition of CYP2C19
50031031	6	ChEMBL_604547 (CHEMBL1074717)	Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assay
50031032	1	ChEMBL_604552 (CHEMBL1074724)	Inhibition of human MAOA
50031032	2	ChEMBL_604553 (CHEMBL1074725)	Inhibition of MAOA in rat brain mitochondria
50031032	3	ChEMBL_604554 (CHEMBL1074726)	Inhibition of MAOB in rat brain mitochondria
50031032	4	ChEMBL_604555 (CHEMBL1074727)	Inhibition of mouse brain MAOA
50031033	1	ChEMBL_604559 (CHEMBL1074731)	Inhibition of human TOR in HEK293 cells by DELFIA
50031033	2	ChEMBL_604557 (CHEMBL1074729)	Inhibition of GST-GRP1-fused PI3Kalpha by microtiter plate based fluorescence polarization assay
50031033	3	ChEMBL_604558 (CHEMBL1074730)	Inhibition of GST-GRP1-fused PI3Kgamma by microtiter plate based fluorescence polarization assay
50031034	1	ChEMBL_604567 (CHEMBL1065476)	Inhibition of 8His-tagged Pin1 PPIase domain (45-163)
50031034	2	ChEMBL_604568 (CHEMBL1065477)	Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy
50031035	1	ChEMBL_604742 (CHEMBL1071901)	Inhibition of human PAI1
50031036	1	ChEMBL_604746 (CHEMBL1071905)	Inhibition of p38 alpha
50048228	8	ChEMBL_1633674 (CHEMBL3876466)	Activation of human S1PR4 expressed in CHO cells assessed as suppression of forskolin-induced intracellular cAMP level measured after 15 mins by ELISA
50031037	5	ChEMBL_604754 (CHEMBL1072548)	Antagonist activity at C5a receptor in rat RAW264.7 cells assessed as inhibition of anaphylatoxin C5a-induced intracellular calcium accumulation after 10 mins by FLIPR assay
50031037	6	ChEMBL_604755 (CHEMBL1072549)	Inhibition of CXCR3 in human T cells
50031037	7	ChEMBL_604756 (CHEMBL1072550)	Inhibition of CXCR4 in human T cells
50031038	1	ChEMBL_604760 (CHEMBL1072554)	Inhibition of SCD1 in rat liver microsomes
50031038	2	ChEMBL_604766 (CHEMBL1072560)	Inhibition of CYP3A4
50031038	3	ChEMBL_604767 (CHEMBL1072561)	Inhibition of CYP2D6
50031039	1	ChEMBL_604791 (CHEMBL1072585)	Antagonist activity at human CCR5
50031039	2	ChEMBL_604792 (CHEMBL1072586)	Antagonist activity at human recombinant CCR5 by cell-cell fusion assay
50031040	1	ChEMBL_604989 (CHEMBL1069867)	Inhibition of COX2 assessed as PGF2alpha level by EIA
50031041	1	ChEMBL_605043 (CHEMBL1071303)	Inhibition of human neutrophil elastase
50031042	1	ChEMBL_605048 (CHEMBL1071910)	Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization
50031042	2	ChEMBL_605044 (CHEMBL1071304)	Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization
50031042	3	ChEMBL_605045 (CHEMBL1071305)	Agonist activity at rat muscarinic M2 expressed in CHO cells assessed as stimulation of calcium mobilization
50031042	4	ChEMBL_605046 (CHEMBL1071908)	Agonist activity at human muscarinic M3 expressed in CHO cells assessed as stimulation of calcium mobilization
50031042	5	ChEMBL_605047 (CHEMBL1071909)	Agonist activity at rat muscarinic M4 expressed in CHO cells assessed as stimulation of calcium mobilization
50031043	1	ChEMBL_605223 (CHEMBL1069934)	Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs
50031043	3	ChEMBL_605225 (CHEMBL1069305)	Inhibition of MMP1
50031043	4	ChEMBL_605226 (CHEMBL1069306)	Inhibition of MMP2
50031043	5	ChEMBL_605227 (CHEMBL1069307)	Inhibition of MMP3
50031043	6	ChEMBL_605228 (CHEMBL1069308)	Inhibition of MMP7
50031043	9	ChEMBL_605239 (CHEMBL1069319)	Inhibition of TACE
50031043	12	ChEMBL_605232 (CHEMBL1069312)	Inhibition of MMP8
50031043	13	ChEMBL_605233 (CHEMBL1069313)	Inhibition of MMP12
50031043	14	ChEMBL_605234 (CHEMBL1069314)	Inhibition of MMP15
50031043	15	ChEMBL_605235 (CHEMBL1069315)	Inhibition of MMP16
50031043	16	ChEMBL_605236 (CHEMBL1069316)	Inhibition of MMP24
50031043	17	ChEMBL_605238 (CHEMBL1069318)	Inhibition of MMP26
50031043	2	ChEMBL_605223 (CHEMBL1069934)	Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs
50031044	1	ChEMBL_605281 (CHEMBL1069931)	Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition of LAP-induced intracellular calcium mobilization by FLIPR
50031045	1	ChEMBL_605289 (CHEMBL1069941)	Inhibition of AKT1
50031045	2	ChEMBL_605290 (CHEMBL1069942)	Inhibition of AKT2
50031045	3	ChEMBL_605291 (CHEMBL1069943)	Inhibition of AKT3
50031045	4	ChEMBL_605292 (CHEMBL1071317)	Inhibition of GSK3-beta phosphorylation in human BT474 cells
50031045	5	ChEMBL_605296 (CHEMBL1071321)	Inhibition of ROCK1
50031045	6	ChEMBL_605297 (CHEMBL1071322)	Inhibition of P70S6K
50031045	7	ChEMBL_605298 (CHEMBL1071323)	Inhibition of PAK1
50031045	8	ChEMBL_605299 (CHEMBL1071324)	Inhibition of PDK1
50031045	9	ChEMBL_605302 (CHEMBL1071327)	Inhibition of CYP1A2
50031045	10	ChEMBL_605303 (CHEMBL1071328)	Inhibition of CYP2C9
50031045	11	ChEMBL_605304 (CHEMBL1071329)	Inhibition of CYP2C19
50031045	12	ChEMBL_605305 (CHEMBL1071330)	Inhibition of CYP2D6
50031045	13	ChEMBL_605306 (CHEMBL1071331)	Inhibition of CYP3A4
50031046	1	ChEMBL_605315 (CHEMBL1071340)	Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins
50031047	1	ChEMBL_605612 (CHEMBL1069216)	Agonist activity at human FFA2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production
50031048	1	ChEMBL_605658 (CHEMBL1071186)	Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding
50031049	1	ChEMBL_605685 (CHEMBL1071215)	Inhibition of CYP2C9
50031049	2	ChEMBL_605682 (CHEMBL1071212)	Binding affinity to human CB2 receptor
50031049	3	ChEMBL_605683 (CHEMBL1071213)	Binding affinity to human CB1 receptor
50048229	1	ChEMBL_1633686 (CHEMBL3876478)	Inhibition of MARK3 (unknown origin)
50048230	1	ChEMBL_1633721 (CHEMBL3876513)	Inhibition of MMP-12 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048230	2	ChEMBL_1633720 (CHEMBL3876512)	Inhibition of MMP-13 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048230	3	ChEMBL_1633724 (CHEMBL3876516)	Inhibition of MMP-7 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins by fluorimetric assay
50048230	4	ChEMBL_1633722 (CHEMBL3876514)	Inhibition of MMP-9 catalytic domain (unknown origin)
50048230	5	ChEMBL_1633726 (CHEMBL3876518)	Inhibition of MMP-12 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins by fluorimetric assay
50048230	6	ChEMBL_1633725 (CHEMBL3876517)	Inhibition of MMP-13 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins by fluorimetric assay
50048230	7	ChEMBL_1633719 (CHEMBL3876511)	Inhibition of human recombinant MMP-9 catalytic domain (112 to 445 residues) expressed in Escherichia coli assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048230	8	ChEMBL_1633718 (CHEMBL3876510)	Inhibition of MMP-7 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048230	9	ChEMBL_1633716 (CHEMBL3876508)	Inhibition of MMP-1 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048230	10	ChEMBL_1633723 (CHEMBL3876515)	Inhibition of MMP-1 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured for 3 mins by fluorimetric assay
50048230	11	ChEMBL_1633717 (CHEMBL3876509)	Inhibition of MMP-2 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay
50048231	1	ChEMBL_1633737 (CHEMBL3876529)	Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of forskolin-stimulated cAMP production measured after 30 mins in presence of orthosteric antagonist LY341495 by FLIPR assay
50048231	2	ChEMBL_1633746 (CHEMBL3876538)	Agonist activity at humanized monkey mGlu2 receptor expressed in HEK293 cells co-expressing Gqi5 measured for 3 mins by Fluo-4 dye based FLIPR assay
50048231	3	ChEMBL_1633743 (CHEMBL3876535)	Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after 30 mins in presence of orthosteric antagonist LY341495 by liquid scintillation counting method
50048231	4	ChEMBL_1633794 (CHEMBL3876586)	Inhibition of human ERG by patch clamp method
50048231	5	ChEMBL_1633795 (CHEMBL3876587)	Inhibition of recombinant CYP2C19 (unknown origin)
50048231	6	ChEMBL_1633736 (CHEMBL3876528)	Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production by high throughput screening assay
50048231	7	ChEMBL_1633742 (CHEMBL3876534)	Positive allosteric modulation of human mGlu3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production measured after 30 mins in presence of orthosteric antagonist LY341495 by FLIPR assay
50048232	1	ChEMBL_1633801 (CHEMBL3876593)	Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot method
50048232	2	ChEMBL_1633802 (CHEMBL3876594)	Inhibition of Methanosarcina thermophila recombinant carbonic anhydrase gamma assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot method
50031051	1	ChEMBL_605716 (CHEMBL1072596)	Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP-1-alpha-induced calcium mobilization
50031052	1	ChEMBL_605982 (CHEMBL1069926)	Displacement of [3H]T0901317 from human recombinant LXRalpha LBD
50048233	1	ChEBML_1633808	Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50048233	2	ChEBML_1633807	Inhibition of human recombinant carbonic anhydrase-1 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50048233	3	ChEBML_1633809	Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50048233	4	ChEBML_1633810	Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50031053	1	ChEMBL_606053 (CHEMBL1071952)	Inhibition of full length AKT1
50031053	2	ChEMBL_606057 (CHEMBL1071956)	Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3
50031053	3	ChEMBL_606055 (CHEMBL1071954)	Inhibition of ROCK1
50031053	4	ChEMBL_606054 (CHEMBL1071953)	Inhibition of truncated AKT1
50031054	1	ChEMBL_606058 (CHEMBL1071957)	Inhibition of SCD1 in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate after 60 mins in presence of S9 microsomal fraction
50031054	2	ChEMBL_606059 (CHEMBL1071958)	Inhibition of SCD1 in mouse microsomal liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins
50031054	3	ChEMBL_606060 (CHEMBL1071959)	Inhibition of human SCD1 expressed in human 293A cells assessed as conversion of [14C]stearate to [14C]oleate
50031054	4	ChEMBL_606061 (CHEMBL1071960)	Inhibition of SCD1 in human liver S9 microsomal fraction assessed as conversion of [14C]stearate to [14C]oleate after 60 mins at 0.4 uM
50031055	1	ChEMBL_606078 (CHEMBL1071977)	Inhibition of human factor 10a by fluorescence assay
50031056	1	ChEMBL_606082 (CHEMBL1072610)	Inhibition of human AKT1
50031056	2	ChEMBL_606083 (CHEMBL1072611)	Inhibition of human AKT2
50031056	3	ChEMBL_606335 (CHEMBL1071989)	Inhibition of GSK2beta phosphorylation in human BT474 cells
50031056	4	ChEMBL_606336 (CHEMBL1071990)	Inhibition of CYP3A4
50031056	5	ChEMBL_606084 (CHEMBL1072612)	Inhibition of human AKT3
50031056	6	ChEMBL_606354 (CHEMBL1072008)	Inhibition of human ERG
50031057	1	ChEMBL_606737 (CHEMBL1065327)	Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assay
50031059	1	ChEMBL_606749 (CHEMBL1065339)	Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay
50031059	2	ChEMBL_606748 (CHEMBL1065338)	Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced GTPgammaS binding
50031059	3	ChEMBL_607001 (CHEMBL1074629)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO-K1 cells
50031059	4	ChEMBL_607000 (CHEMBL1074628)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS7 cells
50048233	5	ChEMBL_1633810 (CHEMBL3876602)	Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50031060	2	ChEMBL_607026 (CHEMBL1074654)	Inhibition of PARP2
50031060	3	ChEMBL_607019 (CHEMBL1074647)	Inhibition of human PARP1 by scintillation proximity assay
50048233	6	ChEMBL_1633809 (CHEMBL3876601)	Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50031060	4	ChEMBL_607027 (CHEMBL1074655)	Inhibition of PARP3
50031060	5	ChEMBL_607028 (CHEMBL1074656)	Inhibition of VPARP
50031060	6	ChEMBL_607029 (CHEMBL1074657)	Inhibition of Tankyrase 1
50048233	7	ChEMBL_1633808 (CHEMBL3876600)	Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50048233	8	ChEMBL_1633807 (CHEMBL3876599)	Inhibition of human recombinant carbonic anhydrase-1 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay
50031061	1	ChEMBL_607038 (CHEMBL1074666)	Displacement of [125I]diprenorphine from human mu opioid receptor expressed in CHO cells by liquid scintillation counting
50031061	2	ChEMBL_607039 (CHEMBL1074667)	Displacement of [125I]diprenorphine from human kappa opioid receptor expressed in CHO cells by liquid scintillation counting
50048234	1	ChEMBL_1633812 (CHEMBL3876604)	Inhibition of recombinant human p110beta/N-terminal His-tagged human p85alpha expressed in baculovirus infected sf cells using L-alpha-phosphatidylinositol as substrate after 1 hr in presence of [gamma33]-ATP by thin layer chromatographic analysis
50048234	2	ChEMBL_1633813 (CHEMBL3876605)	Inhibition of p110delta (unknown origin) using L-alpha phosphatidylinositol as substrate after 1 hr in presence of [gamma33]-ATP by thin layer chromatographic analysis
50031062	1	ChEMBL_609281 (CHEMBL1070042)	Inhibition of humanized rabbit cathepsin K
50031063	1	ChEMBL_609554 (CHEMBL1073807)	Binding affinity to dopamine D1 receptor
50031063	2	ChEMBL_609555 (CHEMBL1073808)	Binding affinity to dopamine D5 receptor
50031063	3	ChEMBL_609556 (CHEMBL1073809)	Binding affinity to dopamine D2 receptor
50031063	4	ChEMBL_609557 (CHEMBL1073810)	Binding affinity to dopamine D4 receptor
50031064	1	ChEMBL_609569 (CHEMBL1073822)	Inhibition of horse serum BChE by Ellman's method
50031064	2	ChEMBL_609576 (CHEMBL1073829)	Inhibition of electric eel AChE by Lineweaver-Burke plot
50031064	3	ChEMBL_609577 (CHEMBL1073830)	Inhibition of horse serum BChE by Lineweaver-Burke plot
50031064	4	ChEMBL_609566 (CHEMBL1073819)	Inhibition of electric eel AChE by Ellman's method
50031065	1	ChEMBL_609605 (CHEMBL1065220)	Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay
50031065	2	ChEMBL_609606 (CHEMBL1065221)	Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay
50031066	1	ChEMBL_609846 (CHEMBL1072787)	Agonist activity at human GPR40 by FLIPR assay in presence of 1% BSA
50031067	1	ChEMBL_609881 (CHEMBL1073437)	Inhibition of human recombinant 11beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol by SPA
50031067	2	ChEMBL_609882 (CHEMBL1073438)	Inhibition of 11beta-HSD1 in human adipocytes assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by SPA
50031067	3	ChEMBL_609883 (CHEMBL1073439)	Inhibition of 11beta-HSD2
50031067	4	ChEMBL_609902 (CHEMBL1074764)	Inhibition of CYP3A4
50031067	5	ChEMBL_609903 (CHEMBL1074765)	Inhibition of CYP2C9
50031067	6	ChEMBL_609904 (CHEMBL1074766)	Inhibition of CYP2D6
50031068	1	ChEMBL_609907 (CHEMBL1074769)	Displacement of [3H]SCh23390 from dopamine D1 receptor expressed in mouse LTK cells by scintillation counting
50031068	2	ChEMBL_609908 (CHEMBL1074770)	Displacement of radioligand from dopamine D5 receptor expressed in mouse LTK cells by scintillation counting
50031068	3	ChEMBL_609909 (CHEMBL1074771)	Displacement of [3H]methylspiperon from dopamine D2 receptor expressed in mouse LTK cells by scintillation counting
50031068	4	ChEMBL_609910 (CHEMBL1074772)	Displacement of radioligand from dopamine D4 receptor expressed in mouse LTK cells by scintillation counting
50031069	1	ChEMBL_609921 (CHEMBL1074783)	Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes
50031069	2	ChEMBL_609919 (CHEMBL1074781)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50031070	1	ChEMBL_609925 (CHEMBL1074787)	Displacement of [3H]nitrendipine from dihydropyridine receptor in rat cardiac membrane
50031070	2	ChEMBL_609926 (CHEMBL1074788)	Displacement of [3H]nitrendipine from dihydropyridine receptor in rat cerebral cortex membrane
50031071	1	ChEMBL_610220 (CHEMBL1067804)	Inhibition of p38alpha
50031071	2	ChEMBL_610221 (CHEMBL1067805)	Inhibition of p38beta
50031072	1	ChEMBL_610267 (CHEMBL1067992)	Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9 cells by DELFIA
50031072	2	ChEMBL_610268 (CHEMBL1067993)	Inhibition of recombinant GST-fused c-Met expressed in baculovirus infected high five cells by DELFIA
50031072	3	ChEMBL_610551 (CHEMBL1067046)	Inhibition of TPR-fused Met autophosphorylation expressed in HEK293T cells after 150 mins by ELISA
50031072	4	ChEMBL_610553 (CHEMBL1067048)	Inhibition of c-MET in human A549 cells by wound healing assay
50031072	5	ChEMBL_610554 (CHEMBL1067049)	Inhibition of c-MET in human DU145 cells by scattering assay
50031073	1	ChEMBL_610589 (CHEMBL1068981)	Displacement of radiolabeled ((5-{4-[Methyl-pyridin-2yl-amino)-ethoxy]-benzyl}-thiazolidine-2,4-dione) from human PPARgamma ligand binding domain expressed in Escherichia coli
50031073	2	ChEMBL_610596 (CHEMBL1069610)	Agonist activity at mouse PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031073	3	ChEMBL_610591 (CHEMBL1069605)	Displacement of radiolabeled GW-2433 from human PPARdelta ligand binding domain expressed in Escherichia coli
50031073	4	ChEMBL_610590 (CHEMBL1068982)	Displacement of radiolabeled GW-2433 from human PPARalpha ligand binding domain expressed in Escherichia coli
50031073	5	ChEMBL_610588 (CHEMBL1068980)	Agonist activity at human PPARdelta expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031073	6	ChEMBL_610586 (CHEMBL1068978)	Agonist activity at human PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031073	7	ChEMBL_610594 (CHEMBL1069608)	Agonist activity at mouse PPARalpha expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031073	8	ChEMBL_610592 (CHEMBL1069606)	Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031073	9	ChEMBL_610610 (CHEMBL1069624)	Inhibition of AT1 receptor
50031073	10	ChEMBL_610584 (CHEMBL1068976)	Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assay
50031074	1	ChEMBL_610882 (CHEMBL1065037)	Displacement of [3H]CP-55940 from CB2 receptor
50031074	2	ChEMBL_610611 (CHEMBL1069625)	Displacement of [3H]CP-55940 from CB1 receptor
50031075	1	ChEMBL_610888 (CHEMBL1065043)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Dixon plot
50031075	2	ChEMBL_610891 (CHEMBL1065046)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b
50031075	3	ChEMBL_610889 (CHEMBL1065044)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Lineweaver-Burke plot analysis
50031076	1	ChEMBL_610892 (CHEMBL1065047)	Inhibition of hypoxia-induced HIF1alpha activation in human HeLa cells after 12 hrs by HRE-luciferase reporter gene assay
50031079	1	ChEMBL_611200 (CHEMBL1065722)	Inhibition of human ERG
50031079	2	ChEMBL_610954 (CHEMBL1070285)	Binding affinity to 5HT1B receptor expressed in CHO cells
50031080	1	ChEMBL_611209 (CHEMBL1065731)	Inhibition of Trypanosoma cruzi cruzain
50031081	1	ChEMBL_611218 (CHEMBL1068247)	Inhibition of human cholesteryl ester transfer protein by scintillation proximity assay
50031081	2	ChEMBL_611222 (CHEMBL1068251)	Inhibition of cholesteryl ester transfer protein in human plasma by [3H]CE HDL assay
50031081	3	ChEMBL_611223 (CHEMBL1068252)	Inhibition of CYP1A2 in human liver microsomes
50031081	4	ChEMBL_611224 (CHEMBL1068253)	Inhibition of CYP2C9 in human liver microsomes
50031081	5	ChEMBL_611225 (CHEMBL1068254)	Inhibition of CYP2C19 in human liver microsomes
50031081	6	ChEMBL_611221 (CHEMBL1068250)	Inhibition of CYP2D6 in human liver microsomes
50031081	7	ChEMBL_611226 (CHEMBL1068255)	Inhibition of CYP3A4 muscle isoform in human liver microsomes
50031081	8	ChEMBL_611227 (CHEMBL1068256)	Inhibition of CYP3A4 tissue isoform in human liver microsomes
50031082	1	ChEMBL_611243 (CHEMBL1068272)	Inhibition of mTOR
50031082	2	ChEMBL_611244 (CHEMBL1068273)	Inhibition of PI3Kalpha
50031083	1	ChEMBL_611257 (CHEMBL1068286)	Inhibition of human liver cathepsin L
50031083	2	ChEMBL_611258 (CHEMBL1068287)	Inhibition of human liver cathepsin B
50031084	2	ChEMBL_611550 (CHEMBL1066394)	Inhibition of recombinant KDR by TR-FRET assay
50031084	3	ChEMBL_611549 (CHEMBL1066393)	Inhibition of recombinant c-Met by TR-FRET assay
50031084	4	ChEMBL_611551 (CHEMBL1066395)	Inhibition of recombinant Src by TR-FRET assay
50031084	5	ChEMBL_611567 (CHEMBL1066411)	Inhibition of recombinant Abl by TR-FRET assay
50031084	6	ChEMBL_611568 (CHEMBL1066412)	Inhibition of recombinant Aurora A by IMAP assay
50031084	7	ChEMBL_611570 (CHEMBL1066414)	Inhibition of recombinant AKT1 by IMAP assay
50031084	8	ChEMBL_611571 (CHEMBL1066415)	Inhibition of recombinant CDK1 by IMAP assay
50031084	10	ChEMBL_611595 (CHEMBL1068932)	Inhibition of recombinant CDK2 by IMAP assay
50031084	11	ChEMBL_611566 (CHEMBL1066410)	Inhibition of recombinant BRK by TR-FRET assay
50031084	12	ChEMBL_611565 (CHEMBL1066409)	Inhibition of recombinant YES by TR-FRET assay
50031084	14	ChEMBL_611562 (CHEMBL1066406)	Inhibition of recombinant EGFR by TR-FRET assay
50031084	15	ChEMBL_611561 (CHEMBL1066405)	Inhibition of recombinant Kit by TR-FRET assay
50031084	16	ChEMBL_611560 (CHEMBL1066404)	Inhibition of recombinant LCK by TR-FRET assay
50031084	17	ChEMBL_611559 (CHEMBL1066403)	Inhibition of recombinant IGF1R by TR-FRET assay
50031084	18	ChEMBL_611558 (CHEMBL1066402)	Inhibition of recombinant Fyn by TR-FRET assay
50031084	19	ChEMBL_611557 (CHEMBL1066401)	Inhibition of recombinant Flt3 by TR-FRET assay
50031084	20	ChEMBL_611556 (CHEMBL1066400)	Inhibition of recombinant FGFR2 by TR-FRET assay
50031084	21	ChEMBL_611555 (CHEMBL1066399)	Inhibition of recombinant LTK by TR-FRET assay
50031084	22	ChEMBL_611548 (CHEMBL1066392)	Inhibition of recombinant EphA2 by TR-FRET assay
50031084	23	ChEMBL_611547 (CHEMBL1066391)	Inhibition of recombinant AXL by TR-FRET assay
50031085	1	ChEMBL_611613 (CHEMBL1068950)	Inhibition of human plasma BuChE preincubated for 30 mins before substrate addition by Ellman's assay
50031085	2	ChEMBL_611615 (CHEMBL1068952)	Inhibition of electric eel AChE preincubated for 30 mins before substrate addition by Ellman's assay
50031086	1	ChEMBL_611621 (CHEMBL1068958)	Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorimetry
50031086	2	ChEMBL_611622 (CHEMBL1068959)	Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorimetry
50048235	1	ChEMBL_1633821 (CHEMBL3876613)	Agonist activity at PPLS-HA-tagged-GPR88 (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production measured after 30 mins by TR-FRET assay
50031088	1	ChEMBL_611887 (CHEMBL1070842)	Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay
50031088	2	ChEMBL_611889 (CHEMBL1070844)	Agonist activity at mouse FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay
50031088	3	ChEMBL_611894 (CHEMBL1070849)	Inhibition of human ERG
50031089	1	ChEMBL_611932 (CHEMBL1071493)	Inhibition of human adenosine 2A receptor
50048235	2	ChEMBL_1633824 (CHEMBL3876616)	Agonist activity at human PPLS-HA-tagged-GPR88 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production measured after 30 mins by TR-FRET based LANCE assay
50031090	2	ChEMBL_611945 (CHEMBL1071506)	Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cAMP accumulation
50048235	3	ChEMBL_1633823 (CHEMBL3876615)	Agonist activity at GPR88 in mouse striatal membranes assessed as increase in [35S]-GTP-gammaS binding
50031091	1	ChEMBL_608657 (CHEMBL1067143)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells
50031091	2	ChEMBL_608658 (CHEMBL1067144)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells
50031091	3	ChEMBL_608659 (CHEMBL1067145)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells
50048236	1	ChEMBL_1633840 (CHEMBL3876632)	Inhibition of recombinant human His6/GST-tagged SIRT1 expressed in Escherichia coli assessed as reduction in H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH deacetylation measured after 10 mins in presence of beta-NAD+ by RP-HPLC assay
50048236	2	ChEMBL_1633847 (CHEMBL3876639)	Inhibition of recombinant human His6-tagged SIRT3 (101 to 399 residues) expressed in Escherichia coli assessed as inhibition of H2N-HK-[epsilonN-acetyl-lysine]-LM-COOH deacetylation measured after 10 mins in presence of beta-NAD+ by reversed-phase C18 HPLC analysis
50048236	3	ChEMBL_1633846 (CHEMBL3876638)	Inhibition of recombinant human His6-tagged SIRT2 (2 to 389 residues) expressed in Escherichia coli assessed as inhibition of H2N-HK-[epsilonN-acetyl-lysine]-LM-COOH deacetylation measured after 12 mins in presence of beta-NAD+ by RP-HPLC analysis
50048237	1	ChEMBL_1633896 (CHEMBL3876688)	Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay
50048237	2	ChEMBL_1633897 (CHEMBL3876689)	Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay
50048237	3	ChEMBL_1633898 (CHEMBL3876690)	Inhibition of full length recombinant human GST-tagged ERK2 expressed in Escherichia coli using Ser/Thr 03 as substrate after 1 hr by Z'-Lyte assay
50048237	4	ChEMBL_1633899 (CHEMBL3876691)	Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay
50031093	1	ChEMBL_608671 (CHEMBL1067155)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells
50031094	1	ChEMBL_608986 (CHEMBL1073128)	Inhibition of ovine COX1 by enzyme immunoassay
50031094	2	ChEMBL_608987 (CHEMBL1073129)	Inhibition of human recombinant COX2 by enzyme immunoassay
50031095	1	ChEMBL_609002 (CHEMBL1073144)	Inhibition of CDK2
50031095	2	ChEMBL_609003 (CHEMBL1073145)	Inhibition of CDC2
50031095	3	ChEMBL_609004 (CHEMBL1073146)	Inhibition of CDK4
50031096	1	ChEMBL_609021 (CHEMBL1064488)	Inhibition of MMP2
50031097	1	ChEMBL_609027 (CHEMBL1064494)	Inhibition of tyrosinase
50031098	1	ChEMBL_609316 (CHEMBL1070724)	Inhibition of human P2Y12 receptor expressed in CHO cells in presence of 0.4% human serum albumin
50031098	2	ChEMBL_609304 (CHEMBL1070712)	Inhibition of human ERG
50031098	3	ChEMBL_609034 (CHEMBL1064501)	Inhibition of human P2Y12 receptor expressed in CHO cells
50031099	1	ChEMBL_609336 (CHEMBL1072091)	Inhibition of ABCG2 expressed in human NCI-H460/MX20 cells assessed as accumulation of ABCG2 substrate pheophorbide-A
50031100	1	ChEMBL_609338 (CHEMBL1072093)	Displacement of FITC-CKLF1-C27 from human CCR4 receptor expressed in human HEK293 cells
50031101	1	ChEMBL_609360 (CHEMBL1072746)	Inhibition of ABHD6 in mouse brain membrane
50031101	2	ChEMBL_609358 (CHEMBL1072744)	Inhibition of FAAH in mouse brain membrane
50031101	3	ChEMBL_609359 (CHEMBL1072745)	Inhibition of MAGL in mouse brain membrane
50031102	1	ChEMBL_609369 (CHEMBL1072755)	Inhibition of human factor 10a
50031102	2	ChEMBL_609370 (CHEMBL1072756)	Inhibition of human factor 2a
50031104	1	ChEMBL_609376 (CHEMBL1072762)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as reduction of cortisone to cortisol conversion by scintillation counting
50048238	1	ChEMBL_1633954 (CHEMBL3876746)	Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay
50048238	2	ChEMBL_1633911 (CHEMBL3876703)	Inhibition of full length human GST-tagged MEK1 using ERK1/ERK2 peptide substrate in presence of ATP by ADP-Glo chemiluminescence assay
50048239	1	ChEMBL_1633969 (CHEMBL3876761)	Inhibition of recombinant human MAO-B expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by spectrofluorometric method
50048239	2	ChEMBL_1633955 (CHEMBL3876747)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50048239	3	ChEMBL_1633968 (CHEMBL3876760)	Inhibition of recombinant human MAO-A expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by spectrofluorometric method
50048240	1	ChEMBL_1634097 (CHEMBL3876889)	Inhibition of BACE1 (unknown origin) using beta-secretase substrate 4 after 30 mins by fluorescence spectrophotometric method
50048241	1	ChEBML_1634157	Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis
50048241	2	ChEBML_1634158	Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis
50048241	3	ChEBML_1634160	Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis
50048241	4	ChEBML_1634161	Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis
50048241	5	ChEBML_1634162	Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis
50048241	8	ChEMBL_1634162 (CHEMBL3876954)	Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis
50048241	6	ChEMBL_1634156 (CHEMBL3876948)	Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman based fluorescence assay
50048241	9	ChEMBL_1634157 (CHEMBL3876949)	Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis
50048241	10	ChEMBL_1634158 (CHEMBL3876950)	Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis
50048241	11	ChEMBL_1634160 (CHEMBL3876952)	Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis
50048241	7	ChEMBL_1634165 (CHEMBL3876957)	Inhibition of sheep COX1 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman based fluorescence assay
50048241	12	ChEMBL_1634161 (CHEMBL3876953)	Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis
50031107	1	ChEMBL_610312 (CHEMBL1071424)	Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay
50031107	2	ChEMBL_610314 (CHEMBL1071426)	Inhibition of Toxoplasma gondii DHFR using dihydrofolic acid substrate and NADPH cofactor by spectrophotometric assay
50031107	3	ChEMBL_610315 (CHEMBL1071427)	Inhibition of rat liver DHFR using dihydrofolic acid substrate and NADPH cofactor by spectrophotometric assay
50031107	4	ChEMBL_610313 (CHEMBL1071425)	Inhibition of rat liver DHFR by spectrophotometric assay
50031108	1	ChEMBL_610339 (CHEMBL1072071)	Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry
50031108	2	ChEMBL_610338 (CHEMBL1072070)	Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry
50031109	1	ChEMBL_610341 (CHEMBL1072073)	Inhibition of human CYP11B1 expressed in chinese hamster V79 cells
50031109	2	ChEMBL_610340 (CHEMBL1072072)	Inhibition of human CYP11B2 expressed in chinese hamster V79 cells
50048242	1	ChEMBL_1634211 (CHEMBL3877003)	Inhibition of recombinant human NAAA using PAMCA as substrate preincubated for 30 mins followed by substrate addition measured every 3 mins for 2.5 hrs by fluorescence HTS method
50048243	1	ChEMBL_1634227 (CHEMBL3877019)	Displacement of [3H]-8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHOK1 cell membranes after 1 hr by liquid scintillation counting method
50048243	2	ChEMBL_1634226 (CHEMBL3877018)	Displacement of [3H]-5-HT from recombinant human 5-HT7A receptor expressed in CHOK1 cell membranes after 40 mins by liquid scintillation counting method
50031111	1	ChEMBL_610615 (CHEMBL1069629)	Inhibition of FGFR1
50031111	2	ChEMBL_610616 (CHEMBL1069630)	Inhibition of EGFR
50031111	3	ChEMBL_610617 (CHEMBL1069631)	Inhibition of SRC
50031112	1	ChEMBL_610619 (CHEMBL1069633)	Inhibition of factor 10a by amidolytic assay
50031112	2	ChEMBL_610622 (CHEMBL1069636)	Inhibition of uPA
50031112	3	ChEMBL_610620 (CHEMBL1069634)	Inhibition of human recombinant factor 9a by amidolytic assay
50048244	1	ChEMBL_1634232 (CHEMBL3877024)	Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50048244	2	ChEMBL_1634233 (CHEMBL3877025)	Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50048244	3	ChEMBL_1634230 (CHEMBL3877022)	Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50048244	4	ChEMBL_1634231 (CHEMBL3877023)	Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50031114	2	ChEMBL_610638 (CHEMBL1069652)	Inhibition of human cathepsin D
50048245	1	ChEMBL_1634252 (CHEMBL3877044)	Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of TCEP by peroxidase coupled enzyme assay
50048245	2	ChEMBL_1634250 (CHEMBL3877042)	Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of DTT by peroxidase coupled enzyme assay
50048245	3	ChEMBL_1634251 (CHEMBL3877043)	Inhibition of human LSD1 assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in absence of DTT by peroxidase coupled enzyme assay
50048245	4	ChEMBL_1634253 (CHEMBL3877045)	Inhibition of recombinant human His-tagged LSD1 (171 to 836 residues)/GST-tagged CoREST (308 to 440 residues) complex using H3K4 peptide substrate by spectrophotometric method
50048246	3	ChEMBL_1634260 (CHEMBL3877052)	Inhibition of recombinant C-terminal His-tagged human LTA4H aminopeptidase activity expressed in Escherichia coli using L-alanine-4-nitro-anilide hydrochloride as substrate preincubated for 20 mins followed by substrate addition
50048246	1	ChEBML_1634261	Inhibition of recombinant C-terminal His-tagged human LTA4H epoxide hydrolase activity expressed in Escherichia coli assessed as reduction in LTB4 production using LTA4 as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by enzyme immunoassay
50048246	2	ChEMBL_1634261 (CHEMBL3877053)	Inhibition of recombinant C-terminal His-tagged human LTA4H epoxide hydrolase activity expressed in Escherichia coli assessed as reduction in LTB4 production using LTA4 as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by enzyme immunoassay
50031116	1	ChEMBL_610681 (CHEMBL1072342)	Inhibition of human liver cathepsin D
50048247	1	ChEMBL_1634279 (CHEMBL3877071)	Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia coli measured after 2 hrs by fluorescence polarization assay
50048248	1	ChEMBL_1634289 (CHEMBL3877081)	Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FRET assay
50048248	2	ChEMBL_1634292 (CHEMBL3877084)	Downregulation of ERalpha in human MCF7 cells after 4 hrs by Western blot analysis
50048249	1	ChEMBL_1634331 (CHEMBL3877123)	Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition
50048249	2	ChEMBL_1634324 (CHEMBL3877116)	Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition
50048249	3	ChEMBL_1634333 (CHEMBL3877125)	Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition
50048249	4	ChEMBL_1634334 (CHEMBL3877126)	Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition
50048249	5	ChEMBL_1634335 (CHEMBL3877127)	Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition
50048249	6	ChEMBL_1634330 (CHEMBL3877122)	Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition
50048249	7	ChEMBL_1634336 (CHEMBL3877128)	Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition
50031118	1	ChEMBL_610984 (CHEMBL1070315)	Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cell membrane
50031118	2	ChEMBL_610985 (CHEMBL1070316)	Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cell membrane
50031118	3	ChEMBL_610986 (CHEMBL1070317)	Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cell membrane
50031118	4	ChEMBL_610979 (CHEMBL1070310)	Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane
50031118	5	ChEMBL_610980 (CHEMBL1070311)	Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase intracellular calcium level in presence of 1% BSA by fluorimetry
50031119	1	ChEMBL_611000 (CHEMBL1072376)	Inhibition of human purine nucleoside phosphorylase
50031120	1	ChEMBL_611008 (CHEMBL1072384)	Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells
50031120	2	ChEMBL_611011 (CHEMBL1072387)	Displacement of [3H]WIN-35428 from human DAT expressed in CHO cells
50031120	3	ChEMBL_611007 (CHEMBL1072383)	Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells
50031120	4	ChEMBL_611006 (CHEMBL1072382)	Inhibition of serotonin uptake at human SERT expressed in human JAR cells
50031121	1	ChEMBL_611026 (CHEMBL1073015)	Inhibition of 26S proteasome beta 1 using nLPnLD as substrate
50031121	2	ChEMBL_611027 (CHEMBL1073016)	Inhibition of 26S proteasome beta 2 using RLR as substrate
50031121	3	ChEMBL_611028 (CHEMBL1073017)	Inhibition of 26S proteasome beta 5 using LLVY as substrate
50031122	1	ChEMBL_611967 (CHEMBL1072174)	Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells
50031122	2	ChEMBL_611968 (CHEMBL1072175)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus
50031123	1	ChEMBL_612010 (CHEMBL1072217)	Inhibition of PAK4
50031123	2	ChEMBL_612012 (CHEMBL1072219)	Inhibition of PDK1
50031123	3	ChEMBL_612013 (CHEMBL1072220)	Inhibition of PERK
50031123	4	ChEMBL_612014 (CHEMBL1072221)	Inhibition of PIM1
50031123	5	ChEMBL_612015 (CHEMBL1072222)	Inhibition of PIM2
50031123	6	ChEMBL_612018 (CHEMBL1072225)	Inhibition of PLK1
50031123	7	ChEMBL_612019 (CHEMBL1072226)	Inhibition of RET
50031123	8	ChEMBL_612020 (CHEMBL1072227)	Inhibition of SYK
50031123	9	ChEMBL_612023 (CHEMBL1072230)	Inhibition of TRKA
50031123	10	ChEMBL_612024 (CHEMBL1072231)	Inhibition of VEGFR2
50031123	12	ChEMBL_612026 (CHEMBL1072233)	Inhibition of ZAP70
50031123	13	ChEMBL_611978 (CHEMBL1072185)	Inhibition of GSK3-beta
50031123	14	ChEMBL_611979 (CHEMBL1072186)	Inhibition of ERK2
50031123	15	ChEMBL_611980 (CHEMBL1072187)	Inhibition of cABL
50031123	16	ChEMBL_611981 (CHEMBL1072188)	Inhibition of ACK1
50031123	18	ChEMBL_611983 (CHEMBL1072190)	Inhibition of AKT1
50048250	1	ChEMBL_1634340 (CHEMBL3877132)	Inhibition of human MPO
50031123	20	ChEMBL_611985 (CHEMBL1072192)	Inhibition of BRK
50031123	22	ChEMBL_611990 (CHEMBL1072197)	Inhibition of EEF2K
50031123	23	ChEMBL_611991 (CHEMBL1072198)	Inhibition of EGFR
50031123	24	ChEMBL_611992 (CHEMBL1072199)	Inhibition of FAK
50031123	25	ChEMBL_611993 (CHEMBL1072200)	Inhibition of FGFR1
50031123	26	ChEMBL_611994 (CHEMBL1072201)	Inhibition of FLT3
50031123	27	ChEMBL_611995 (CHEMBL1072202)	Inhibition of IGF1R
50031123	29	ChEMBL_611997 (CHEMBL1072204)	Inhibition of IKK2
50031123	31	ChEMBL_611999 (CHEMBL1072206)	Inhibition of JAK1
50031123	32	ChEMBL_612000 (CHEMBL1072207)	Inhibition of JAK3
50031123	33	ChEMBL_612001 (CHEMBL1072208)	Inhibition of cKIT
50031123	34	ChEMBL_612002 (CHEMBL1072209)	Inhibition of LCK
50031123	35	ChEMBL_612003 (CHEMBL1072210)	Inhibition of LYN
50031123	36	ChEMBL_612004 (CHEMBL1072211)	Inhibition of MAPKAPK2
50031123	37	ChEMBL_612005 (CHEMBL1072212)	Inhibition of MET
50031123	38	ChEMBL_612006 (CHEMBL1072213)	Inhibition of MNK2
50031123	39	ChEMBL_612007 (CHEMBL1072214)	Inhibition of MST4
50031123	40	ChEMBL_612008 (CHEMBL1072215)	Inhibition of NEK6
50031123	41	ChEMBL_611972 (CHEMBL1072179)	Inhibition of Aurora A
50048250	2	ChEMBL_1634341 (CHEMBL3877133)	Irreversible inhibition of MPO (unknown origin)
50031124	1	ChEMBL_612285 (CHEMBL1064897)	Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells
50031125	1	ChEMBL_612328 (CHEMBL1065580)	Inhibition of human HDAC1 expressed in Escherichia coli
50031125	2	ChEMBL_612329 (CHEMBL1065581)	Inhibition of human HDAC2 expressed in Escherichia coli
50031125	3	ChEMBL_612330 (CHEMBL1065582)	Inhibition of human HDAC3 expressed in Escherichia coli
50031125	4	ChEMBL_612331 (CHEMBL1065583)	Inhibition of human HDAC8 expressed in Escherichia coli
50031125	5	ChEMBL_612332 (CHEMBL1065584)	Inhibition of human HDAC4 expressed in Escherichia coli
50048251	1	ChEMBL_1634352 (CHEMBL3877144)	Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay
50031125	7	ChEMBL_612334 (CHEMBL1065586)	Inhibition of human HDAC6 expressed in Escherichia coli
50031125	8	ChEMBL_612335 (CHEMBL1065587)	Inhibition of human HDAC7 expressed in Escherichia coli
50031125	9	ChEMBL_612336 (CHEMBL1065588)	Inhibition of human HDAC9 expressed in Escherichia coli
50031125	10	ChEMBL_612337 (CHEMBL1065589)	Inhibition of human HDAC10 expressed in Escherichia coli
50031125	11	ChEMBL_612341 (CHEMBL1065593)	Inhibition of KDR
50031125	12	ChEMBL_612342 (CHEMBL1065594)	Inhibition of Src
50031125	13	ChEMBL_612343 (CHEMBL1065595)	Inhibition of Lyn
50031125	14	ChEMBL_612344 (CHEMBL1065596)	Inhibition of Lck
50031125	15	ChEMBL_612345 (CHEMBL1065597)	Inhibition of Abl1
50031125	16	ChEMBL_612346 (CHEMBL1065598)	Inhibition of FGFR2
50031125	17	ChEMBL_612347 (CHEMBL1065599)	Inhibition of Flt3
50031125	18	ChEMBL_612348 (CHEMBL1065600)	Inhibition of Ret
50031125	19	ChEMBL_612309 (CHEMBL1064921)	Inhibition of EGFR
50031125	20	ChEMBL_612310 (CHEMBL1064922)	Inhibition of HER2
50031126	1	ChEMBL_612372 (CHEMBL1065624)	Inhibition of human recombinant MGL
50031126	2	ChEMBL_612367 (CHEMBL1065619)	Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by time-dependent studies
50031126	3	ChEMBL_612366 (CHEMBL1065618)	Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate at pH 7.4 by liquid scintillation spectroscopy
50031126	4	ChEMBL_612364 (CHEMBL1065616)	Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate at pH 9.0 by liquid scintillation spectroscopy
50031126	5	ChEMBL_612361 (CHEMBL1065613)	Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid scintillation spectroscopy
50031127	1	ChEMBL_612567 (CHEMBL1074221)	Activity at human 5HT2A receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation counting
50048251	3	ChEMBL_1634354 (CHEMBL3877146)	Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins in presence of 100% human serum by HTRF assay
50048251	2	ChEBML_1634352	Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as IP1 accumulation measured after 60 mins by HTRF assay
50031129	1	ChEMBL_612618 (CHEMBL1065655)	Displacement of [3H]spiperone from cloned dopamine D3 receptor expressed in HEK cells
50031129	2	ChEMBL_612620 (CHEMBL1065657)	Agonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50031129	3	ChEMBL_612621 (CHEMBL1065658)	Agonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50031131	1	ChEMBL_612839 (CHEMBL1067528)	Binding affinity to human thrombin by standard kinetic photometric assay
50031132	1	ChEMBL_612853 (CHEMBL1067542)	Inhibition of FGFR1
50031132	2	ChEMBL_612854 (CHEMBL1067543)	Inhibition of FLT1
50031132	3	ChEMBL_612855 (CHEMBL1067544)	Inhibition of KDR
50031132	4	ChEMBL_612856 (CHEMBL1067545)	Inhibition of KIT
50031132	5	ChEMBL_612857 (CHEMBL1067546)	Inhibition of LCK
50031132	6	ChEMBL_612858 (CHEMBL1067547)	Inhibition of COT
50031132	7	ChEMBL_612859 (CHEMBL1067548)	Inhibition of p38-gamma MAPK
50031132	8	ChEMBL_612860 (CHEMBL1067549)	Inhibition of p38alpha MAPK
50031132	9	ChEMBL_612861 (CHEMBL1067550)	Inhibition of MET
50031132	10	ChEMBL_612862 (CHEMBL1067551)	Inhibition of PDGFRalpha
50031132	11	ChEMBL_612863 (CHEMBL1067552)	Inhibition of PDGFRbeta
50031132	12	ChEMBL_612864 (CHEMBL1067553)	Inhibition of cRAF
50031132	13	ChEMBL_612865 (CHEMBL1067554)	Inhibition of RET
50031132	14	ChEMBL_612852 (CHEMBL1067541)	Inhibition of wild type BRAF
50048252	1	ChEMBL_1634380 (CHEMBL3877172)	Inhibition of human CK1epsilon using casein as substrate in presence of [gamma-32P]-ATP
50048252	2	ChEMBL_1634389 (CHEMBL3877181)	Inhibition of N-terminal 6His-tagged human BRD4 bromodomain 1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H4 peptide (1 to 21 residues) containing KAc (K5/8/12/16Ac) as substrate by Alpha screen assay
50048252	3	ChEMBL_1634390 (CHEMBL3877182)	Inhibition of N-terminal 6His-tagged human BRDT bromodomain 1 (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H4 peptide (1 to 21 residues) containing KAc (K5/8/12/16Ac) as substrate by Alpha screen assay
50048252	4	ChEMBL_1634394 (CHEMBL3877186)	Inhibition of CDK9 (unknown origin)
50048252	5	ChEMBL_1634395 (CHEMBL3877187)	Binding affinity to recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria by isothermal titration calorimetric method
50048252	6	ChEMBL_1634399 (CHEMBL3877191)	Inhibition of RET (unknown origin)
50048252	7	ChEMBL_1634405 (CHEMBL3877197)	Inhibition of p38alpha (unknown origin)
50048252	8	ChEMBL_1634379 (CHEMBL3877171)	Inhibition of immobilized N-LY294002 bead binding to C-terminal Flag-tagged BRD4 (unknown origin) expressed in HEK293T cell nuclear extract incubated for 1 hr by LC-MS/MS analysis
50048252	9	ChEMBL_1634418 (CHEMBL3877210)	Inhibition of kinobead binding to NQO2 in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method
50048252	10	ChEMBL_1634422 (CHEMBL3877214)	Inhibition of PF-06658607 binding to recombinant C-terminal FLAG-tagged FAM213A (unknown origin) expressed in HEK293T cells after 1 hr by gel-based ABPP assay
50048252	11	ChEMBL_1634429 (CHEMBL3877221)	Inhibition of human full length polyhistidine-tagged CK1epsilon expressed in Escherichia coli BL21-Codon-Plus (DE3)-RIL using PLSRTLpSVASLPGL as substrate after 2 hrs by kinase-glo assay
50048252	12	ChEMBL_1634435 (CHEMBL3877227)	Inhibition of His-tagged human MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate preincubated with protein followed by substrate addition measured over 15 mins by luminescence-based assay
50048252	13	ChEMBL_1634402 (CHEMBL3877194)	Inhibition of DNA-PK (unknown origin)
50048252	14	ChEMBL_1634383 (CHEMBL3877175)	Inhibition of mouse N-terminal 5His-tagged p38alpha assessed as decrease in 6His-tagged MK2a (51 to 400 residues) phosphorylation in presence of [gamma-33P]-ATP by scintillation counting method
50048252	15	ChEMBL_1634388 (CHEMBL3877180)	Binding affinity to ALK (unknown origin)
50048252	16	ChEMBL_1634433 (CHEMBL3877225)	Inhibition of human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) in presence of dGTP and inorganic pyrophosphatase incubated for 15 mins with shaking by malachite green assay
50048252	17	ChEMBL_1634421 (CHEMBL3877213)	Inhibition of PF-06422899 binding to EGFR in human A431 cells after 1 hr by gel-based ABPP assay
50048252	18	ChEMBL_1634415 (CHEMBL3877207)	Inhibition of kinobead binding to ABL in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method
50048252	19	ChEMBL_1634434 (CHEMBL3877226)	Inhibition of DsRed-fused MTH1 (unknown origin) expressed in HEK293T cells using 8-oxo-dGTP as substrate
50048252	20	ChEMBL_1634396 (CHEMBL3877188)	Inhibition of N-terminal GST-tagged recombinant human PLK1 (1 to 603 residues) expressed in baculovirus expression system using bovine milk casein as substrate after 45 mins in presence of [gamma-33P]-ATP by radiometric assay
50048252	21	ChEMBL_1634436 (CHEMBL3877228)	Inhibition of His-tagged human MTH1 expressed in Escherichia coli BL21 (DE3) using 2-OH-dATP as substrate preincubated with protein followed by substrate addition measured over 15 mins by luminescence-based assay
50048252	22	ChEMBL_1634387 (CHEMBL3877179)	Binding affinity to MET (unknown origin)
50048252	23	ChEMBL_1634393 (CHEMBL3877185)	Inhibition of CDK5 (unknown origin)
50048252	24	ChEMBL_1634397 (CHEMBL3877189)	Inhibition of JAK2 (unknown origin)
50048252	25	ChEMBL_1634398 (CHEMBL3877190)	Inhibition of FLT3 (unknown origin)
50048252	26	ChEMBL_1634401 (CHEMBL3877193)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human recombinant PYK2 catalytic domain (416 to 692 residues) expressed in baculovirus expression system
50048252	27	ChEMBL_1634404 (CHEMBL3877196)	Inhibition of recombinant human His6-TEV protease-tagged BRDT bromodomain 1 expressed in bacteria using H-YSGRGKacGGKacGLGKacGGAKacRHRK-(Biotin)-OH as substrate incubated for 30 mins by AlphaScreen assay
50048252	28	ChEMBL_1634406 (CHEMBL3877198)	Inhibition of p38beta (unknown origin)
50048252	29	ChEMBL_1634410 (CHEMBL3877202)	Inhibition of immobilized N-LY294002 bead binding to BRD2 (unknown origin) expressed in HEK293T cell nuclear extract incubated for 1 hr by LC-MS/MS analysis
50048252	30	ChEMBL_1634411 (CHEMBL3877203)	Inhibition of immobilized N-LY294002 bead binding to BRD3 (unknown origin) expressed in HEK293T cell nuclear extract incubated for 1 hr by LC-MS/MS analysis
50048252	31	ChEMBL_1634413 (CHEMBL3877205)	Inhibition of immobilized N-LY294002 bead binding to PI3Kbeta (unknown origin) expressed in HEK293T cells incubated for 1 hr by LC-MS/MS analysis
50048252	32	ChEMBL_1634381 (CHEMBL3877173)	Inhibition of recombinant human c-Met (974 to 1390 residues) using poly-Glu-Tyr as substrate preincubated for 20 mins followed by substrate and [gamma-33P]-ATP addition measured after 5 to 60 mins by liquid scintillation counting method
50048252	33	ChEMBL_1634416 (CHEMBL3877208)	Inhibition of kinobead binding to ARG in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method
50048252	34	ChEMBL_1634417 (CHEMBL3877209)	Inhibition of kinobead binding to DDR1 in human K562 cells incubated for 30 mins by iTRAQ reagent-based mass spectrometric method
50048252	35	ChEMBL_1634420 (CHEMBL3877212)	Inhibition of PF-06658607 binding to BTK in human Ramos cells after 1 hr by gel-based ABPP assay
50048252	36	ChEMBL_1634424 (CHEMBL3877216)	Inhibition of recombinant human GST-fused RIPK1 (1 to 497 residues) expressed in baculovirus infected insect Sf9 cells in presence of 32P-gamma-ATP after 30 mins by autoradiogram-based Western blot method
50048252	37	ChEMBL_1634425 (CHEMBL3877217)	Inhibition of recombinant human IDO using L-tryptophan as substrate after 60 mins
50031134	1	ChEMBL_612907 (CHEMBL1069506)	Inhibition of human MAOA expressed in Pichia pastoris
50048252	38	ChEMBL_1634428 (CHEMBL3877220)	Inhibition of human full length CK1delta1 (2 to 415 residues) using PLSRTLpSVASLPGL as substrate after 2 hrs by kinase-glo assay
50048252	39	ChEMBL_1634409 (CHEMBL3877201)	Inhibition of mTOR (unknown origin)
50031136	1	ChEMBL_608062 (CHEMBL1072132)	Inhibition of electric eel AChE by modified Ellman's method
50031136	2	ChEMBL_608063 (CHEMBL1072133)	Inhibition of horse serum BuChE by modified Ellman's method
50031137	1	ChEMBL_608076 (CHEMBL1072146)	Inhibition of EGFR
50031138	1	ChEMBL_608091 (CHEMBL1072161)	Inhibition of EGFR autophosphorylation in human A431 cells after 8 hrs by Western blot
50031138	2	ChEMBL_608087 (CHEMBL1072157)	Inhibition of human recombinant EGFR expressed in insect cells by time-resolved fluorimetry
50048252	40	ChEMBL_1634427 (CHEMBL3877219)	Stabilization of FECH in human K562 cells after 1 hr by thermal shift assay
50048252	41	ChEMBL_1634382 (CHEMBL3877174)	Inhibition of human CK1delta using casein as substrate in presence of [gamma-32P]-ATP
50048252	42	ChEMBL_1634392 (CHEMBL3877184)	Inhibition of CDK2 (unknown origin)
50031138	3	ChEMBL_608090 (CHEMBL1072160)	Inhibition of EGFR autophosphorylation in human A431 cells after 1 hr by Western blot
50048252	43	ChEMBL_1634403 (CHEMBL3877195)	Inhibition of recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria using H-YSGRGKacGGKacGLGKacGGAKacRHRK-(Biotin)-OH as substrate incubated for 30 mins by AlphaScreen assay
50048252	44	ChEMBL_1634414 (CHEMBL3877206)	Inhibition of immobilized N-LY294002 bead binding to PI3Kdelta (unknown origin) expressed in HEK293T cells incubated for 1 hr by LC-MS/MS analysis
50031139	1	ChEMBL_608355 (CHEMBL1074389)	Inhibition of CYP1A2 in human microsomal preparation
50031139	2	ChEMBL_608356 (CHEMBL1074390)	Inhibition of CYP2D6 in human microsomal preparation
50031139	3	ChEMBL_608357 (CHEMBL1074391)	Inhibition of CYP3A4 in human microsomal preparation
50031139	4	ChEMBL_608358 (CHEMBL1074392)	Inhibition of CYP2C9 in human microsomal preparation
50031139	5	ChEMBL_608359 (CHEMBL1074393)	Inhibition of CYP2C19 in human microsomal preparation
50031139	6	ChEMBL_608104 (CHEMBL1072809)	Inhibition of PKBbeta by radiometric filter binding assay
50031139	7	ChEMBL_608354 (CHEMBL1074388)	Inhibition of PKB in human U87MG cells assessed as GSK3-beta phosphorylation by ELISA
50031139	8	ChEMBL_608352 (CHEMBL1074386)	Inhibition of PKB in human PC3M cells assessed as GSK3-beta phosphorylation by ELISA
50031140	1	ChEMBL_608384 (CHEMBL1074418)	Binding affinity to HSA after 30 mins assessed as quenching of intrinsic HSA fluorescence emission by spectrofluorimetric assay
50048252	45	ChEMBL_1634412 (CHEMBL3877204)	Inhibition of immobilized N-LY294002 bead binding to PI3Kalpha (unknown origin) expressed in HEK293T cells incubated for 1 hr by LC-MS/MS analysis
50048252	46	ChEMBL_1634385 (CHEMBL3877177)	Inhibition of CDK4-cyclin D1 (unknown origin) using RB-152 fusion protein as substrate
50048252	47	ChEMBL_1634391 (CHEMBL3877183)	Inhibition of CDK1 (unknown origin)
50048252	48	ChEMBL_1634419 (CHEMBL3877211)	Inhibition of recombinant human NQO2 using menadione/CMCDP as substrate/cofactor
50048252	49	ChEMBL_1634423 (CHEMBL3877215)	Inhibition of PF-06422899 binding to recombinant C-terminal FLAG-tagged DUS2L (unknown origin) expressed in HEK293T cells after 1 hr by gel-based ABPP assay
50048252	50	ChEMBL_1634426 (CHEMBL3877218)	Stabilization of BRAF in human K562 cells after 1 hr by thermal shift assay
50048252	51	ChEMBL_1634430 (CHEMBL3877222)	Inhibition of recombinant MK2 (45 to 400 residues) (unknown origin) using fluorescein isothiocyanate-KKKALSRQLSVAA as substrate
50048253	1	ChEBML_1634511	Inhibition of human JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system by KINOMEScan assay
50048254	1	ChEMBL_1635124 (CHEMBL3878022)	Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins
50048254	4	ChEMBL_1635127 (CHEMBL3878025)	Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins
50048253	19	ChEMBL_1634447 (CHEMBL3877345)	Inhibition of JAK2 (unknown origin)
50048253	18	ChEMBL_1634446 (CHEMBL3877344)	Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay
50048253	23	ChEMBL_1634443 (CHEMBL3877341)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048253	15	ChEMBL_1634470 (CHEMBL3877368)	Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay relative to control
50048253	17	ChEMBL_1634448 (CHEMBL3877346)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate by fluorescence assay
50048253	25	ChEMBL_1634463 (CHEMBL3877361)	Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048253	22	ChEMBL_1634442 (CHEMBL3877340)	Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048253	20	ChEMBL_1634469 (CHEMBL3877367)	Inhibition of HDAC10 (unknown origin) preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048253	21	ChEMBL_1634467 (CHEMBL3877365)	Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells preincubated with enzyme followed by fluorogenic Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048253	14	ChEMBL_1634510 (CHEMBL3877408)	Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by KINOMEScan assay
50048253	16	ChEMBL_1634509 (CHEMBL3877407)	Inhibition of human TYK2 (V877 to C1187 residues) expressed in mammalian expression system by KINOMEScan assay
50048253	24	ChEMBL_1634462 (CHEMBL3877360)	Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells preincubated with enzyme followed by fluorogenic Arg-His-Lys-Lys(Ac)-AMC substrate addition measured after 2 hrs by fluorescence assay
50048255	1	ChEMBL_1634596 (CHEMBL3877494)	Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 120 mins by scintillation counting analysis
50048255	2	ChEMBL_1634637 (CHEMBL3877535)	Binding affinity to sigma 1 receptor (unknown origin)
50048255	3	ChEMBL_1634635 (CHEMBL3877533)	Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain cortical membrane after 90 mins by scintillation counting analysis
50048255	4	ChEMBL_1634633 (CHEMBL3877531)	Displacement of [3H](+)pentazocine from sigma 1 receptor in rat brain homogenates without cerebellum
50048256	1	ChEMBL_1634666 (CHEMBL3877564)	Agonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells after 9.5 mins by 86Rb+ efflux assay
50048256	2	ChEMBL_1634647 (CHEMBL3877545)	Displacement of [3H]epibatidine from rat alpha2beta4 nAChR by liquid scintillation counting
50048256	3	ChEMBL_1634648 (CHEMBL3877546)	Displacement of [3H]epibatidine from rat alpha3beta2 nAChR by liquid scintillation counting
50048256	4	ChEMBL_1634649 (CHEMBL3877547)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR by liquid scintillation counting
50048256	5	ChEMBL_1634650 (CHEMBL3877548)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting
50048256	6	ChEMBL_1634652 (CHEMBL3877550)	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR by liquid scintillation counting
50048256	7	ChEMBL_1634654 (CHEMBL3877552)	Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells after 9.5 mins by 86Rb+ efflux assay
50048256	8	ChEMBL_1634667 (CHEMBL3877565)	Antagonist activity at alpha1beta1gammadelta nAChR in human TE671/RD cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated for 10 mins followed by carbamylcholine addition measured after 5 mins by Cherenkov counting
50048256	9	ChEMBL_1634655 (CHEMBL3877553)	Antagonist activity at human alpha4beta2 expressed in human SH-EP1 cells assessed as reduction in carbamylcholine induced 86Rb+ efflux preincubated for 10 mins followed by carbamylcholine addition measured after 5 mins by Cherenkov counting
50048256	10	ChEMBL_1634646 (CHEMBL3877544)	Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting
50031144	1	ChEMBL_609086 (CHEMBL1066534)	Inhibition of CYP3A4-mediated hydroxylation of testosterone in human liver microsomes in NADPH co-factor system by RP-HPLC
50048257	1	ChEBML_1634707	Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL21(DE3) using PEP as substrate measured after 5 mins by LDH-coupled assay
50048257	2	ChEMBL_1634707 (CHEMBL3877605)	Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL21(DE3) using PEP as substrate measured after 5 mins by LDH-coupled assay
50048258	1	ChEMBL_1634812 (CHEMBL3877710)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 10 mins by liquid scintillation counter method
50048258	2	ChEMBL_1634814 (CHEMBL3877712)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counter method
50048258	3	ChEMBL_1634811 (CHEMBL3877709)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counter method
50048258	4	ChEMBL_1634813 (CHEMBL3877711)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counter method
50048258	5	ChEMBL_1634815 (CHEMBL3877713)	Inhibition of human GAT-1 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counter method
50048258	6	ChEMBL_1634816 (CHEMBL3877714)	Inhibition of human BGT-1 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counter method
50048258	7	ChEMBL_1634818 (CHEMBL3877716)	Inhibition of human GAT-3 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counter method
50031148	1	ChEMBL_610755 (CHEMBL1064390)	Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by FLIPR assay
50031149	1	ChEMBL_610767 (CHEMBL1064402)	Binding affinity to human Bcl-XL by isothermal titration calorimetry
50031149	2	ChEMBL_610766 (CHEMBL1064401)	Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay
50031149	3	ChEMBL_610765 (CHEMBL1064400)	Displacement of fluorescein-labeled Bak-BH3 peptide from human Bcl-XL by fluorescence polarization assay
50031149	4	ChEMBL_610768 (CHEMBL1064403)	Binding affinity to human Mcl1 by isothermal titration calorimetry
50031150	1	ChEMBL_610771 (CHEMBL1064406)	Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells
50031150	2	ChEMBL_610769 (CHEMBL1064404)	Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells
50031150	3	ChEMBL_610770 (CHEMBL1064405)	Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells
50031151	1	ChEMBL_610073 (CHEMBL1073834)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293-EBNA cells by scintillation counting in presence of 10% human serum
50031151	2	ChEMBL_610064 (CHEMBL1072473)	Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	3	ChEMBL_610065 (CHEMBL1072474)	Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	4	ChEMBL_610066 (CHEMBL1072475)	Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	5	ChEMBL_610067 (CHEMBL1072476)	Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293-EBNA cells by scintillation counting
50048258	8	ChEMBL_1634817 (CHEMBL3877715)	Inhibition of rat GAT-2 expressed in thymidine kinase deficient mouse LM cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counter method
50031151	7	ChEMBL_610069 (CHEMBL1072478)	Displacement of [3H]iloprost from human IP receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	8	ChEMBL_610070 (CHEMBL1072479)	Displacement of [3H]SQ29548 from human TP receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	9	ChEMBL_610071 (CHEMBL1072480)	Displacement of [3H]PGF2alpha from human FP receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	12	ChEMBL_610074 (CHEMBL1074439)	Displacement of [3H]PGE2 from rat EP4 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	13	ChEMBL_610075 (CHEMBL1074440)	Displacement of [3H]PGE2 from rat EP1 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	14	ChEMBL_610076 (CHEMBL1074441)	Displacement of [3H]PGE2 from rat EP2 receptor expressed in HEK293-EBNA cells by scintillation counting
50031151	15	ChEMBL_610077 (CHEMBL1074442)	Displacement of [3H]PGE2 from rat EP3 receptor expressed in HEK293-EBNA cells by scintillation counting
50048259	1	ChEMBL_1634950 (CHEMBL3877848)	Inhibition of human PDE3A using fluorescein-labelled cAMP as substrate measured after 60 mins by IMAP TR-FRET assay
50048260	1	ChEMBL_1634956 (CHEMBL3877854)	Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1 min followed by ADP addition by aggregometric method
50048260	2	ChEMBL_1634960 (CHEMBL3877858)	Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISA
50048260	3	ChEMBL_1634957 (CHEMBL3877855)	Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 1 min followed by ADP addition by aggregometric method
50048260	4	ChEMBL_1634959 (CHEMBL3877857)	Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of U46619-induced platelet aggregation preincubated for 1 min followed by ADP addition by aggregometric method
50048260	5	ChEMBL_1634958 (CHEMBL3877856)	Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of thrombin-induced platelet aggregation preincubated for 1 min followed by ADP addition by aggregometric method
50048261	1	ChEMBL_1634976 (CHEMBL3877874)	Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45 mins in presence of NADPH by fluorescence assay
50048262	1	ChEMBL_1634978 (CHEMBL3877876)	Inhibition of N-terminal GST-tagged human VEGFR-2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labelled peptide substrate addition by caliper mobility shift assay
50048262	2	ChEMBL_1634977 (CHEMBL3877875)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labelled peptide substrate addition by caliper mobility shift assay
50031153	1	ChEMBL_610372 (CHEMBL1070011)	Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	2	ChEMBL_610374 (CHEMBL1070013)	Inhibition of SHP1 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	3	ChEMBL_610375 (CHEMBL1070014)	Inhibition of PTP1B expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	4	ChEMBL_610376 (CHEMBL1070015)	Inhibition of HePTP expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	5	ChEMBL_610377 (CHEMBL1070016)	Inhibition of Lyp expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	6	ChEMBL_610378 (CHEMBL1070017)	Inhibition of FAP1 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	7	ChEMBL_610379 (CHEMBL1070018)	Inhibition of CD45 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	8	ChEMBL_610380 (CHEMBL1070019)	Inhibition of LAR expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	9	ChEMBL_610381 (CHEMBL1070020)	Inhibition of PTPalpha expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	10	ChEMBL_610382 (CHEMBL1070021)	Inhibition of VHR expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	11	ChEMBL_610384 (CHEMBL1070023)	Inhibition of LMWPTP expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031153	12	ChEMBL_610373 (CHEMBL1070012)	Inhibition of SHP2 Src homology-2 domain expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate hydrolysis by Lineweaver-Burke plot analysis
50031154	1	ChEMBL_610400 (CHEMBL1073456)	Displacement of [3H]5HT from human 5HT2B receptor expressed in CHO cells by scintillation counting
50031154	2	ChEMBL_610401 (CHEMBL1073457)	Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP formation by RIA
50031154	3	ChEMBL_610399 (CHEMBL1073455)	Displacement of [3H]LSD from human 5HT6 receptor by scintillation counting
50031154	4	ChEMBL_610403 (CHEMBL1073459)	Binding affinity to 5HT1D receptor
50031154	5	ChEMBL_610404 (CHEMBL1073460)	Binding affinity to 5HT1B receptor
50031154	6	ChEMBL_610405 (CHEMBL1073461)	Binding affinity to 5HT1A receptor
50031154	7	ChEMBL_610406 (CHEMBL1073462)	Binding affinity to alpha2A adrenergic receptor
50031154	8	ChEMBL_610407 (CHEMBL1073463)	Binding affinity to dopamine D2 receptor
50048263	1	ChEMBL_1634986 (CHEMBL3877884)	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method
50048263	2	ChEMBL_1634985 (CHEMBL3877883)	Displacement of [3H]SCH23390 from human D1 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method
50048263	3	ChEMBL_1634987 (CHEMBL3877885)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEKT cell membranes after 90 mins by microbeta scintillation counting method
50048264	1	ChEBML_1634996	Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048264	2	ChEBML_1634994	Inhibition of electric eel AChE pretreated for 20 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048254	3	ChEMBL_1635126 (CHEMBL3878024)	Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins
50048254	5	ChEMBL_1635125 (CHEMBL3878023)	Non-competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins
50048265	1	ChEMBL_1635129 (CHEMBL3878027)	Displacement of [3H]prazosin from recombinant human alpha1b adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scintillation counting method
50048265	2	ChEMBL_1635130 (CHEMBL3878028)	Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scintillation counting method
50048265	3	ChEMBL_1635128 (CHEMBL3878026)	Displacement of [3H]prazosin from recombinant human alpha1a adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scintillation counting method
50048265	4	ChEMBL_1635131 (CHEMBL3878029)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HeLa cell membranes after 30 mins by TopCount liquid scintillation counting method
50031156	1	ChEMBL_613719 (CHEMBL1070962)	Inhibition of human recombinant caspase 1
50031156	2	ChEMBL_613721 (CHEMBL1070964)	Inhibition of caspase 8
50031157	1	ChEMBL_613752 (CHEMBL1068899)	Inhibition of human CYP3A4 by fluorescence assay
50031157	2	ChEMBL_613751 (CHEMBL1068898)	Inhibition of human CYP2CD6 by fluorescence assay
50031157	3	ChEMBL_613750 (CHEMBL1068897)	Inhibition of human CYP2C19 by fluorescence assay
50031157	4	ChEMBL_613749 (CHEMBL1068896)	Inhibition of human CYP2C9 by fluorescence assay
50031157	5	ChEMBL_613748 (CHEMBL1068895)	Inhibition of human CYP1A2 by fluorescence assay
50031157	6	ChEMBL_613772 (CHEMBL1068919)	Inhibition of human ERG assessed as blockade of channel current by electrophysiology assay
50031159	1	ChEMBL_613841 (CHEMBL1067131)	Inhibition of human BuChE preincubated for 20 mins before substrate addition by Ellman's method
50031159	2	ChEMBL_613840 (CHEMBL1067130)	Inhibition of human recombinant AChE preincubated for 20 mins before substrate addition by Ellman's method
50031159	3	ChEMBL_613843 (CHEMBL1067133)	Inhibition of human recombinant AChE-mediated hydrolysis of acetylcholine by Lineweaver-Burke plot analysis
50031160	1	ChEMBL_613847 (CHEMBL1067670)	Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay
50048266	1	ChEMBL_1635279 (CHEMBL3878177)	Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting method
50048266	2	ChEMBL_1635281 (CHEMBL3878179)	Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation counting method
50031162	2	ChEMBL_613869 (CHEMBL1067692)	Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assay
50031162	1	ChEMBL_613870 (CHEMBL1067693)	Agonist activity at P2Y1 receptor expressed in human HEK293 cells
50048266	3	ChEMBL_1635287 (CHEMBL3878185)	Displacement of [3H]PSB603 from recombinant human adenosine A2B receptor expressed in HEK293 cell membranes after 1 hr by beta scintillation counting method
50048266	4	ChEMBL_1635286 (CHEMBL3878184)	Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 90 mins by beta scintillation counting method
50031164	2	ChEMBL_613940 (CHEMBL1068351)	Inhibition of IGF1R by ELISA
50048267	1	ChEMBL_1635367 (CHEMBL3878265)	Inhibition of recombinant human BACE1 expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate after 60 mins by spectrofluorometric method
50048267	2	ChEMBL_1635364 (CHEMBL3878262)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50048267	3	ChEMBL_1635362 (CHEMBL3878260)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50048267	4	ChEMBL_1635358 (CHEMBL3878256)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by Ellman's method
50048267	5	ChEMBL_1635359 (CHEMBL3878257)	Inhibition of recombinant human BACE1 by spectrofluorometric method
50048267	6	ChEMBL_1635360 (CHEMBL3878258)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50031165	1	ChEMBL_613946 (CHEMBL1068986)	Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane
50031166	1	ChEMBL_613957 (CHEMBL1068997)	Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method
50031166	2	ChEMBL_613958 (CHEMBL1068998)	Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method
50048268	1	ChEBML_1635380	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50048268	2	ChEBML_1635381	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50048264	3	ChEMBL_1635004 (CHEMBL3877902)	Inhibition of human BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048264	6	ChEMBL_1634996 (CHEMBL3877894)	Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048264	4	ChEMBL_1635002 (CHEMBL3877900)	Inhibition of human AChE pretreated for 20 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048264	7	ChEMBL_1634994 (CHEMBL3877892)	Inhibition of electric eel AChE pretreated for 20 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's method
50048264	5	ChEMBL_1634999 (CHEMBL3877897)	Competitive inhibition of horse serum BChE in presence of varying levels of butyrylthiocholine iodide substrate by Lineweaver-burk plot method
50048269	1	ChEMBL_1635026 (CHEMBL3877924)	Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method
50048268	3	ChEMBL_1635381 (CHEMBL3878279)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50048268	4	ChEMBL_1635380 (CHEMBL3878278)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50048270	1	ChEMBL_1635517 (CHEMBL3878415)	Binding affinity to HER2 domain-4 (unknown origin) by SPR assay
50048270	2	ChEMBL_1635518 (CHEMBL3878416)	Binding affinity to HER2 extracellular domain (unknown origin) by SPR assay
50048271	1	ChEMBL_1635519 (CHEMBL3878417)	Inhibition of recombinant human ALR2 assessed as reduction in NADPH oxidation measured for 5 mins in presence of D,L-glyceraldehyde by spectrophotometric method
50048272	1	ChEMBL_1635524 (CHEMBL3878422)	Inhibition of aromatase activity in human T47D cells after 24 hrs
50048273	1	ChEMBL_1635598 (CHEMBL3878496)	Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in Escherichia coli BL21 (DE3) after 14 hrs by fluorescence polarization assay
50048273	2	ChEMBL_1635606 (CHEMBL3878504)	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC/MS/MS analysis
50048273	3	ChEMBL_1635603 (CHEMBL3878501)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation by LC/MS/MS analysis
50048273	4	ChEMBL_1635605 (CHEMBL3878503)	Inhibition of CYP2C19 in human liver microsomes assessed as omepraozle hydroxylation by LC/MS/MS analysis
50048273	5	ChEMBL_1635604 (CHEMBL3878502)	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide 4-methylhydroxylation by LC/MS/MS analysis
50048274	1	ChEMBL_1635860 (CHEMBL3878758)	Inhibition of TSPO (unknown origin)
50048274	2	ChEMBL_1635871 (CHEMBL3878769)	Inhibition of human ERG expressed in CHOK1 cells by automated patch clamp method
50048274	3	ChEMBL_1635890 (CHEMBL3878788)	Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method
50048274	4	ChEMBL_1635891 (CHEMBL3878789)	Binding affinity to recombinant human TSPO by SPR assay
50048275	1	ChEBML_1635894	Inhibition of recombinant human HGK using Ulight-FLGFTYVAP as substrate after 90 mins by LANCE assay
50048275	2	ChEMBL_1635894 (CHEMBL3878792)	Inhibition of recombinant human HGK using Ulight-FLGFTYVAP as substrate after 90 mins by LANCE assay
50048276	1	ChEMBL_1635957 (CHEMBL3878855)	Inhibition of recombinant human DHFR using DHF as substrate measured every 5 sec over 6 mins in presence of NADPH by UV-Visible spectrophotometric method relative to control
50048277	1	ChEMBL_1636003 (CHEMBL3878901)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method
50048277	2	ChEMBL_1636004 (CHEMBL3878902)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method
50048277	3	ChEMBL_1636005 (CHEMBL3878903)	Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method
50048277	4	ChEMBL_1636006 (CHEMBL3878904)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting method
50048277	5	ChEMBL_1636007 (CHEMBL3878905)	Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50048277	6	ChEMBL_1636010 (CHEMBL3878908)	Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50048277	7	ChEMBL_1636012 (CHEMBL3878910)	Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50048278	1	ChEMBL_1636027 (CHEMBL3878925)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay
50048278	2	ChEMBL_1636028 (CHEMBL3878926)	Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins followed by addition of acetylcholine measured for 2 mins by Fluo-4AM dye based FLIPR assay
50048278	3	ChEMBL_1636022 (CHEMBL3878920)	Partial agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 at holding potential of -90 mV by whole-cell voltage clamp technique
50048278	4	ChEMBL_1636036 (CHEMBL3878934)	Displacement of [125I]Tyr54-alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes co-expressing human RIC3 measured after 2 hrs by gamma counting method
50048278	5	ChEMBL_1636053 (CHEMBL3878951)	Inhibition of human CYP2C9
50048278	6	ChEMBL_1636021 (CHEMBL3878919)	Displacement of [125I]alpha-bungarotoxin from rat hippocampal alpha7 nAChR measured after 2 hrs by TopCount scintillation counting method
50048278	7	ChEMBL_1636051 (CHEMBL3878949)	Inhibition of human CYP2B6
50048278	8	ChEMBL_1636050 (CHEMBL3878948)	Inhibition of human CYP1A2
50048278	9	ChEMBL_1636052 (CHEMBL3878950)	Inhibition of human CYP2C8
50048278	10	ChEMBL_1636039 (CHEMBL3878937)	Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells for 2 mins by FLIPR assay
50048278	11	ChEMBL_1636037 (CHEMBL3878935)	Agonist activity at rat alpha1beta1deltaepsilon nAChR expressed in HEK293 cells for 2 mins by FLIPR assay
50048278	12	ChEMBL_1636038 (CHEMBL3878936)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells for 2 mins by FLIPR assay
50048278	13	ChEMBL_1636046 (CHEMBL3878944)	Inhibition of human ERG by patch clamp assay
50048278	14	ChEMBL_1636048 (CHEMBL3878946)	Inhibition of human CYP3A4 using BFC as substrate
50048278	15	ChEMBL_1636049 (CHEMBL3878947)	Inhibition of human CYP3A4 using BZR as substrate
50048278	16	ChEMBL_1636054 (CHEMBL3878952)	Inhibition of human CYP2C19
50048278	17	ChEMBL_1636055 (CHEMBL3878953)	Inhibition of human CYP2D6
50048279	1	ChEMBL_1636085 (CHEMBL3878983)	Inhibition of full length recombinant His-tagged human BLK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50048279	2	ChEMBL_1636080 (CHEMBL3878978)	Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate measured after 1hr by FRET based Z'Lyte assay
50048279	3	ChEMBL_1636079 (CHEMBL3878977)	Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by FRET based Z'Lyte assay
50048279	4	ChEMBL_1636092 (CHEMBL3878990)	Inhibition of recombinant C-terminal His-tagged human LCK cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50031171	1	ChEMBL_613407 (CHEMBL1068162)	Inhibition of mushroom tyrosinase
50031171	2	ChEMBL_613424 (CHEMBL1069535)	Inhibition of mushroom tyrosinase assessed as inhibition of melanin production from dopachrome by autoxidation
50031172	1	ChEMBL_613426 (CHEMBL1069537)	Inhibition of human AChE by modified Ellman's spectrophotometric method
50031172	2	ChEMBL_613427 (CHEMBL1069538)	Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method
50031172	3	ChEMBL_613428 (CHEMBL1069539)	Inhibition of AChE by modified Ellman's spectrophotometric method
50031173	1	ChEMBL_613431 (CHEMBL1069542)	Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic phosphate
50031173	2	ChEMBL_613432 (CHEMBL1069543)	Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic phosphate
50031174	1	ChEMBL_613465 (CHEMBL1070173)	Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT1 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation counting
50031174	2	ChEMBL_613466 (CHEMBL1070174)	Inhibition of alpha-D-[U-14C]glucopyranoside uptake at human SGLT2 expressed in african green monkey COS1 cells after 30 mins by liquid scintillation counting
50031175	1	ChEMBL_613495 (CHEMBL1072261)	Displacement of [3H]CP-55940 from CB1 receptor
50031175	2	ChEMBL_613496 (CHEMBL1072262)	Displacement of [3H]CP-55940 from CB2 receptor
50031176	1	ChEMBL_613498 (CHEMBL1072264)	Inhibition of aldose reductase in Fischer-344 rat lens homogenate by spectrometric analysis
50031176	2	ChEMBL_613500 (CHEMBL1072266)	Inhibition of aldose reductase
50031176	3	ChEMBL_613501 (CHEMBL1072267)	Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis
50031177	1	ChEMBL_613509 (CHEMBL1072275)	Displacement of FAM-Bid peptide from human recombinant Bcl-xL by fluorescence polarization assay
50031177	2	ChEMBL_613510 (CHEMBL1072276)	Binding affinity to 6xHis-tagged human Bcl-xL
50031178	1	ChEMBL_613519 (CHEMBL1073630)	Activation of human P2Y1 receptor expressed in human 1321N1 cells assessed as induction of calcium flux by FLIPR assay
50031178	2	ChEMBL_613523 (CHEMBL1073634)	Agonist activity at human P2Y1 receptor expressed in human 1321N1 cells by PLC assay
50048279	5	ChEMBL_1636096 (CHEMBL3878994)	Inhibition of recombinant His-tagged human PDGFR-beta cytoplasmic domain (558 to 1106 residues) expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50048279	6	ChEMBL_1636091 (CHEMBL3878989)	Inhibition of recombinant His-tagged human DDR2 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50048279	7	ChEMBL_1636087 (CHEMBL3878985)	Inhibition of recombinant His-tagged human CSF1R cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50048279	8	ChEMBL_1636089 (CHEMBL3878987)	Inhibition of human GST-tagged DDR1 cytoplasmic domain expressed in baculovirus expression system measured after 1 hr by FRET based Z'Lyte assay
50048279	9	ChEMBL_1636131 (CHEMBL3879029)	Inhibition of BCR/ABL p210 fusion protein autophosphorylation at Y245 in human K562 cells measured after 2 hrs by immunoblotting
50031179	2	ChEMBL_613567 (CHEMBL1074195)	Inhibition of PDE8B
50031179	3	ChEMBL_613566 (CHEMBL1074192)	Inhibition of PDE8A
50031179	4	ChEMBL_613565 (CHEMBL1074191)	Inhibition of PDE7B
50031179	5	ChEMBL_613563 (CHEMBL1074189)	Inhibition of PDE4D
50031179	6	ChEMBL_613562 (CHEMBL1074188)	Inhibition of PDE4C
50031179	7	ChEMBL_613561 (CHEMBL1074187)	Inhibition of PDE4B
50031179	8	ChEMBL_613560 (CHEMBL1074186)	Inhibition of PDE4A
50031179	9	ChEMBL_613559 (CHEMBL1074185)	Inhibition of PDE3B
50031179	10	ChEMBL_613558 (CHEMBL1074184)	Inhibition of PDE3A
50031179	11	ChEMBL_613556 (CHEMBL1074182)	Inhibition of PDE1C
50031179	12	ChEMBL_613555 (CHEMBL1073666)	Inhibition of PDE1B
50031179	13	ChEMBL_613554 (CHEMBL1073665)	Inhibition of PDE1A
50048280	1	ChEMBL_1636257 (CHEMBL3879155)	Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method
50031179	14	ChEMBL_613538 (CHEMBL1073649)	Inhibition of human ERG by patch-clamp method
50031180	1	ChEMBL_613655 (CHEMBL1066998)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cell membrane
50031180	2	ChEMBL_613656 (CHEMBL1066999)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in in human HeLa cell membrane
50031180	3	ChEMBL_613657 (CHEMBL1067000)	Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane
50031180	4	ChEMBL_613658 (CHEMBL1067001)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cell membrane
50031180	5	ChEMBL_613654 (CHEMBL1066997)	Inhibition of adenosine A2B receptor
50031181	1	ChEMBL_607884 (CHEMBL1066212)	Inhibition of human recombinant IKK2-mediated transfer of [gamma33P]ATP to biotinylated IkappaBalpha after 30 mins by scintillation counting
50031182	1	ChEMBL_607148 (CHEMBL1064820)	Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA
50031182	2	ChEMBL_607149 (CHEMBL1064821)	Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA
50031183	1	ChEMBL_607151 (CHEMBL1064823)	Inhibition of 11beta-HSD1 in rat liver assessed as cortisone level
50031183	2	ChEMBL_607152 (CHEMBL1064824)	Inhibition of rat renal 11beta-HSD2 in rat liver assessed as inhibition of cortisone production
50031184	1	ChEMBL_607157 (CHEMBL1064829)	Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA
50031184	2	ChEMBL_607158 (CHEMBL1064830)	Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA
50031185	1	ChEMBL_607219 (CHEMBL1068051)	Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells
50031185	2	ChEMBL_607220 (CHEMBL1068052)	Displacement of [3H]nisoxetine from human cloned NET expressed in HEK293 cells
50031185	3	ChEMBL_607221 (CHEMBL1070061)	Displacement of [3H]WIN-35428 from human cloned DAT expressed in HEK293 cells
50031186	1	ChEMBL_607223 (CHEMBL1070063)	Displacement of 4-methylumbelliferyl from human GBA by fluorimetry
50031186	2	ChEMBL_607224 (CHEMBL1070064)	Displacement of 4-methylumbelliferyl from non-lysosomal GBA2 by fluorimetry
50031187	1	ChEMBL_607255 (CHEMBL1070095)	Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting
50031187	2	ChEMBL_607256 (CHEMBL1070096)	Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillation counting
50031188	1	ChEMBL_607293 (CHEMBL1072835)	Inhibition of human recombinant SFRP1 expressed in human U2OS cells assessed as increase in Wnt signaling after 16 to 18 hrs by luciferase reporter gene assay
50031188	2	ChEMBL_607291 (CHEMBL1072833)	Displacement of fluorescence probe compound from human SFRP1 after 30 mins by fluorescence polarization assay
50048281	1	ChEBML_1636269	Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay
50048281	2	ChEBML_1636270	Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-sn-glycerol by fluorescence based assay
50031190	1	ChEMBL_607332 (CHEMBL1064848)	Inhibition of integrin alphaV receptor-mediated adhesion of human PC3 cells to vitronectin after 1 hr by toluidine blue staining
50031191	1	ChEMBL_607501 (CHEMBL1068722)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first ligand binding event by equilibrium dialysis
50031191	2	ChEMBL_607502 (CHEMBL1070778)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second ligand binding event by equilibrium dialysis
50031191	3	ChEMBL_607503 (CHEMBL1070779)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by equilibrium dialysis
50031191	4	ChEMBL_607504 (CHEMBL1070780)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by direct fluorescence titration method
50031191	5	ChEMBL_607505 (CHEMBL1070781)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first ligand binding event by isothermal direct titrimetric assay
50031191	6	ChEMBL_607506 (CHEMBL1070782)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second ligand binding event by isothermal direct titrimetric assay
50031191	7	ChEMBL_607507 (CHEMBL1070783)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by isothermal direct titrimetric assay
50031191	8	ChEMBL_607515 (CHEMBL1070791)	Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by FRET analysis
50031192	1	ChEMBL_607533 (CHEMBL1070809)	Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA
50048281	8	ChEMBL_1636263 (CHEMBL3879161)	Inhibition of HT-01 probe binding to recombinant human DAGLalpha expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-01 probe addition measured after 30 mins by gel-based competitive activity based protein profiling assay
50048281	5	ChEMBL_1636270 (CHEMBL3879168)	Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-sn-glycerol by fluorescence based assay
50048281	4	ChEBML_1636271	Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after 20 mins by gel-based competitive activity based protein profiling assay
50031192	4	ChEMBL_607539 (CHEMBL1071442)	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA
50048281	9	ChEMBL_1636264 (CHEMBL3879162)	Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay
50031192	5	ChEMBL_607534 (CHEMBL1071437)	Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA
50048281	3	ChEBML_1636262	Inhibition of HT-01 probe binding to recombinant mouse DAGLbeta expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-01 probe addition measured after 30 mins by gel-based competitive activity based protein profiling assay
50048281	6	ChEBML_1636272	Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after 20 mins by gel-based competitive activity based protein profiling assay
50031193	1	ChEMBL_607731 (CHEMBL1066196)	Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cells
50031194	1	ChEMBL_607770 (CHEMBL1068741)	Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)
50031194	2	ChEMBL_607771 (CHEMBL1068742)	Displacement of daunorubicin from human recombinant CBR expressed in Escherichia coli BL21 (DE3)
50031194	3	ChEMBL_607766 (CHEMBL1068737)	Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol
50031195	2	ChEMBL_607569 (CHEMBL1073513)	Inhibition of p38alpha
50031196	1	ChEMBL_607466 (CHEMBL1068071)	Inhibition of human PI3Kalpha by fluorescence polarization format assay
50031196	2	ChEMBL_607467 (CHEMBL1068072)	Inhibition of human PI3Kgamma by fluorescence polarization format assay
50031196	3	ChEMBL_607468 (CHEMBL1068073)	Inhibition of mTOR by DELFIA
50031196	4	ChEMBL_607471 (CHEMBL1068076)	Inhibition of PI3Kbeta
50031196	5	ChEMBL_607472 (CHEMBL1068077)	Inhibition of PI3Kdelta
50048281	7	ChEMBL_1636262 (CHEMBL3879160)	Inhibition of HT-01 probe binding to recombinant mouse DAGLbeta expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-01 probe addition measured after 30 mins by gel-based competitive activity based protein profiling assay
50031197	2	ChEMBL_607645 (CHEMBL1071044)	Inhibition of MMP2 by spectrophotometry
50031198	1	ChEMBL_607646 (CHEMBL1071045)	Inhibition of recombinant EGFR by ELISA
50031199	3	ChEMBL_607677 (CHEMBL1071697)	Inhibition of TCPTP
50031199	1	ChEMBL_607676 (CHEMBL1071696)	Inhibition of PTP1B
50048281	10	ChEMBL_1636272 (CHEMBL3879170)	Inhibition of MB064 probe binding to ABHD6 in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured after 20 mins by gel-based competitive activity based protein profiling assay
50048281	11	ChEMBL_1636265 (CHEMBL3879163)	Inhibition of recombinant mouse DAGLbeta expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay
50048282	1	ChEMBL_1636309 (CHEMBL3879207)	Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CVX-induced platelet aggregation preincubated for 5 mins followed by CVX addition measured after 5 mins by turbidimetric method
50048282	2	ChEMBL_1636318 (CHEMBL3879216)	Binding affinity to GP6 receptor (unknown origin) by NMR method
50048282	3	ChEMBL_1636308 (CHEMBL3879206)	Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-XL-induced platelet aggregation preincubated for 5 mins followed by CRP-XL addition measured after 5 mins by turbidimetric method
50048282	4	ChEMBL_1636302 (CHEMBL3879200)	Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition measured after 5 mins by turbidimetric method
50048282	5	ChEMBL_1636281 (CHEMBL3879179)	Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of CRP-induced platelet aggregation preincubated for 60 sec followed by CRP addition by light transmission aggregometric method
50048282	6	ChEMBL_1636282 (CHEMBL3879180)	Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 60 sec followed by collagen addition by light transmission aggregometric method
50048283	1	ChEMBL_1636403 (CHEMBL3879301)	Inhibition of recombinant full length human His-tagged methionine aminopeptidase 1 expressed in Escherichia coli BL21(DE3) using methionylprolyl-p-nitroanilide as substrate preincubated for 20 mins followed by substrate addition measured for 20 mins in presence of CoCl2 by proline aminopeptidase coupled enzyme assay
50048283	2	ChEMBL_1636404 (CHEMBL3879302)	Inhibition of recombinant full length human N-terminal GST/His6-tagged methionine aminopeptidase 2 expressed in baculovirus infected sf9 cells using methionylprolyl-p-nitroanilide as substrate preincubated for 20 mins followed by substrate addition measured for 20 mins in presence of MnCl2 by proline aminopeptidase coupled enzyme assay
50048284	1	ChEMBL_1636436 (CHEMBL3879334)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50048284	2	ChEMBL_1636437 (CHEMBL3879335)	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50048285	1	ChEMBL_1636458 (CHEMBL3879356)	Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by bromophenol blue dye based agarose gel electrophoresis method
50048286	1	ChEMBL_1636647 (CHEMBL3879545)	Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay
50048286	2	ChEMBL_1636648 (CHEMBL3879546)	Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay
50048286	3	ChEMBL_1636649 (CHEMBL3879547)	Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay
50048286	4	ChEMBL_1636650 (CHEMBL3879548)	Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay
50031201	1	ChEMBL_611724 (CHEMBL1074318)	Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells by liquid scintillation counting
50031201	2	ChEMBL_611725 (CHEMBL1074319)	Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells by liquid scintillation counting
50031201	3	ChEMBL_611726 (CHEMBL1074320)	Displacement of [3H]PGE3alpha from mouse EP3alpha receptor expressed in CHO cells by liquid scintillation counting
50031201	4	ChEMBL_611727 (CHEMBL1074321)	Displacement of [3H]PGE3 from mouse EP4 receptor expressed in CHO cells by liquid scintillation counting
50031201	5	ChEMBL_611729 (CHEMBL1074323)	Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level by fluorescence assay in presence of 1% BSA
50031201	6	ChEMBL_611728 (CHEMBL1074322)	Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level by fluorescence assay in presence of 0.1% BSA
50031201	7	ChEMBL_611730 (CHEMBL1074324)	Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level by fluorescence assay in presence of 2% BSA
50031202	1	ChEMBL_611744 (CHEMBL1074338)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells
50031202	2	ChEMBL_611746 (CHEMBL1065783)	Displacement of [3H]U69593 from kappa opioid receptor expressed in CHO cells
50031203	1	ChEMBL_611747 (CHEMBL1065784)	Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA
50031203	2	ChEMBL_611748 (CHEMBL1065785)	Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA
50048287	1	ChEBML_1636654	Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay
50048287	2	ChEMBL_1636654 (CHEMBL3879552)	Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay
50031206	1	ChEMBL_611785 (CHEMBL1066442)	Inhibition of cPLA2 from human platelets by RP-HPLC
50031206	2	ChEMBL_611783 (CHEMBL1066440)	Inhibition of FAAH from rat brain microsomes by RP-HPLC
50031207	1	ChEMBL_611790 (CHEMBL1066447)	Inhibition of nSMase in rat brain microsomal homogenate by fluorescence assay
50031208	1	ChEMBL_612061 (CHEMBL1072866)	Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting
50031208	2	ChEMBL_612062 (CHEMBL1072867)	Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting
50048288	1	ChEMBL_1636657 (CHEMBL3879555)	Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mins by spectrophotometric method
50031211	1	ChEMBL_612385 (CHEMBL1066271)	Antagonist activity at bradykinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization
50031212	1	ChEMBL_612393 (CHEMBL1066279)	Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1-beta assessed as inhibition of DAKD-induced calcium mobilization
50031214	1	ChEMBL_608118 (CHEMBL1074807)	Agonist activity at human full length PPARgamma expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by firefly luciferase assay
50031214	2	ChEMBL_608117 (CHEMBL1074806)	Agonist activity at human full length PPARalpha expressed in human HepG2 cells co-transfected with PPRE3-TK-luc assessed as induction of beta-galactosidase activity by firefly luciferase assay
50031216	1	ChEMBL_608133 (CHEMBL1074822)	Inhibition of human recombinant ROCK1
50048289	1	ChEMBL_1636686 (CHEMBL3879584)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50048289	2	ChEMBL_1636687 (CHEMBL3879585)	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50031217	1	ChEMBL_608142 (CHEMBL1074831)	Inhibition of tyrosinase in mouse Melan-a cells by ELISA
50031218	1	ChEMBL_608469 (CHEMBL1065130)	Inhibition of human RNaseL ANK domain expressed in Escherichia coli assessed as 5' flurescein-r(C11U2C7)-3' RNA cleavage
50031219	1	ChEMBL_608472 (CHEMBL1065133)	Inhibition of TACE
50031219	2	ChEMBL_608473 (CHEMBL1065134)	Inhibition of ADAM10
50031219	3	ChEMBL_608474 (CHEMBL1065135)	Inhibition of MMP1
50031219	4	ChEMBL_608475 (CHEMBL1065136)	Inhibition of MMP2
50031219	5	ChEMBL_608476 (CHEMBL1065137)	Inhibition of MMP3
50031219	6	ChEMBL_608477 (CHEMBL1065138)	Inhibition of MMP7
50031219	7	ChEMBL_608478 (CHEMBL1065139)	Inhibition of MMP12
50031219	8	ChEMBL_608479 (CHEMBL1065140)	Inhibition of MMP13
50031220	1	ChEMBL_608505 (CHEMBL1065164)	Inhibition of [3H]dopamine reuptake at rat brain frontal cortex dopamine transporter
50031220	2	ChEMBL_608767 (CHEMBL1068359)	Inhibition of [3H]norepinephrine reuptake at rat brain frontal cortex norepinephrine transporter
50031220	3	ChEMBL_608768 (CHEMBL1068360)	Inhibition of [3H]5HT reuptake at rat brain frontal cortex serotonin transporter
50031221	1	ChEMBL_608785 (CHEMBL1068377)	Inhibition of NAAA
50031221	2	ChEMBL_608772 (CHEMBL1068364)	Inhibition of human recombinant NAAA expressed in human HEK293 cells assessed as conversion of [1,2-14C]palmitoylethanolamine to [1,2-14C]ethanolamine by liquid scintillation counting
50031221	3	ChEMBL_608777 (CHEMBL1068369)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins
50031221	4	ChEMBL_608778 (CHEMBL1068370)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50048289	3	ChEMBL_1636689 (CHEMBL3879587)	Uncompetitive inhibition of electric eel AChE using varying levels of acetylthiocholine iodide substrate preincubated for 20 mins followed by substrate addition by Lineweaver-Burk plot analysis
50048290	1	ChEMBL_1636712 (CHEMBL3879610)	Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay
50031223	1	ChEMBL_608843 (CHEMBL1069062)	Inhibition of human ERG
50031223	2	ChEMBL_608838 (CHEMBL1069057)	Inhibition of PARP1
50031224	1	ChEMBL_608856 (CHEMBL1069075)	Inhibition of 5HT1A receptor
50048291	1	ChEMBL_1636717 (CHEMBL3879615)	Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation using PIP2 as substrate after 45 mins by fluorescence polarization assay
50048292	1	ChEMBL_1636779 (CHEMBL3879677)	Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay
50048292	2	ChEMBL_1636766 (CHEMBL3879664)	Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrate addition by resorufin dye based acetate hydrolysis assay
50048292	3	ChEMBL_1636780 (CHEMBL3879678)	Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay
50048292	4	ChEMBL_1636786 (CHEMBL3879684)	Inhibition of full length human His6/GST-tagged NQO2 expressed in Escherichia coli Tuner(DE3)pLysS using menadione as substrate and CCHP as co-substrate preincubated with enzyme followed by substrate addition by MTT dye based continuous spectrophotometric assay
50048293	1	ChEMBL_1636811 (CHEMBL3879709)	Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 mins by patchXpress electrophysiology assay
50048294	1	ChEBML_1636814	Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	2	ChEBML_1636815	Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	3	ChEBML_1636818	Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	4	ChEBML_1636817	Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	5	ChEBML_1636816	Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	6	ChEMBL_1636817 (CHEMBL3879715)	Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	7	ChEMBL_1636815 (CHEMBL3879713)	Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	8	ChEMBL_1636816 (CHEMBL3879714)	Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	9	ChEMBL_1636818 (CHEMBL3879716)	Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048294	10	ChEMBL_1636814 (CHEMBL3879712)	Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA
50048295	1	ChEMBL_1636836 (CHEMBL3879734)	Inhibition of p-aminophenylmercuric acetate activated recombinant human MMP-2 expressed in CHO cells pretreated for 4 hrs followed by Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 fluorogenic substrate addition measured every 15 secs for 20 mins by fluorimetric assay
50048295	2	ChEMBL_1636837 (CHEMBL3879735)	Inhibition of p-aminophenylmercuric acetate activated recombinant human MMP-9 expressed in CHO cells pretreated for 4 hrs followed by Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 fluorogenic substrate addition measured every 15 secs for 20 mins by fluorimetric assay
50048295	3	ChEMBL_1636838 (CHEMBL3879736)	Inhibition of recombinant human MMP-14 catalytic domain pretreated for 4 hrs followed by Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 fluorogenic substrate addition measured every 15 secs for 20 mins by fluorimetric assay
50048295	4	ChEMBL_1636835 (CHEMBL3879733)	Inhibition of p-aminophenylmercuric acetate activated human rheumatoid synovial fibroblast MMP-1 pretreated for 4 hrs followed by Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 fluorogenic substrate addition measured every 15 secs for 20 mins by fluorimetric assay
50031225	4	ChEMBL_609141 (CHEMBL1066787)	Inhibition of DP1 receptor
50048296	1	ChEMBL_1636849 (CHEMBL3879747)	Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2O2 addition measured after 30 mins by ELISA
50048296	2	ChEMBL_1636848 (CHEMBL3879746)	Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using STK3 as substrate after 60 mins by HTRF assay
50048297	1	ChEMBL_1636857 (CHEMBL3879755)	Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus infected insect cells using L-arginine-7-amido-4-methylcoumarine as substrate by spectrofluorimetric assay
50014075	9	ChEMBL_214262 (CHEMBL820469)	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet
50014075	8	ChEMBL_214265 (CHEMBL821106)	Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver
50014075	10	ChEMBL_214714 (CHEMBL815212)	Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells
50014075	11	ChEMBL_215011 (CHEMBL818809)	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla
50031226	1	ChEMBL_609152 (CHEMBL1067826)	Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay
50031226	2	ChEMBL_609156 (CHEMBL1066139)	Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay
50031226	3	ChEMBL_609159 (CHEMBL1066770)	Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay
50031226	4	ChEMBL_609155 (CHEMBL1066138)	Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells
50031226	5	ChEMBL_609151 (CHEMBL1067825)	Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells
50031226	6	ChEMBL_609158 (CHEMBL1066141)	Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells
50031226	7	ChEMBL_609191 (CHEMBL1066804)	Inhibition of CYP3A4
50031226	8	ChEMBL_609189 (CHEMBL1066802)	Inhibition of CYP2C19
50031226	9	ChEMBL_609190 (CHEMBL1066803)	Inhibition of CYP2D6
50031226	10	ChEMBL_609150 (CHEMBL1067824)	Inhibition of CYP2C9
50031226	11	ChEMBL_609149 (CHEMBL1067823)	Inhibition of CYP1A2
50031226	12	ChEMBL_609160 (CHEMBL1066771)	Agonist activity at 5HT2C receptor in rat fundus
50031227	1	ChEMBL_609454 (CHEMBL1069748)	Inhibition of PARP1 by topcount microplate scintillation counter
50031227	2	ChEMBL_609460 (CHEMBL1069754)	Inhibition of human ERG
50031228	1	ChEMBL_609463 (CHEMBL1069757)	Binding affinity to granulocyte colony stimulating factor receptor by SPR biosensor technique
50034691	12	ChEMBL_62880 (CHEMBL673590)	In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand
50034691	11	ChEMBL_34506 (CHEMBL649634)	In vitro binding affinity towards alpha-2 adrenergic receptor in rat frontal cortex homogenate using of [3H]clonidine as radioligand
50034691	10	ChEMBL_32418 (CHEMBL644957)	In vitro binding affinity towards alpha-1 adrenergic receptor in rat frontal cortex homogenate using of [3H]prazosin as radioligand
50014090	9	ChEMBL_210689 (CHEMBL817287)	Inhibition of human tryptase.
50048298	1	ChEMBL_92522 (CHEMBL859322)	In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B
50048298	2	ChEMBL_92523 (CHEMBL700931)	In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B
50048299	1	ChEMBL_219642 (CHEMBL818573)	Compound was tested for its inhibitory activity against human leukocyte Elastase (HLE)
50028865	6	ChEMBL_157467 (CHEMBL765786)	Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)
50028865	5	ChEMBL_157468 (CHEMBL765787)	Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)
50028865	3	ChEMBL_157466 (CHEMBL765785)	Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).
50040982	4	ChEMBL_213088 (CHEMBL815016)	In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood
50034697	6	ChEMBL_90251 (CHEMBL697190)	Compound was evaluated for its ability to inhibit Inositol phosphorylation
50034697	5	ChEMBL_90103 (CHEMBL699700)	Compound was evaluated for its effective dose to inhibit the calcium release as a measure of affinity for Inositol 1,4,5-trisphosphate receptor
50048300	1	ChEMBL_201051 (CHEMBL803828)	Tested for the binding affinity towards 5-HT2 receptor measured by [3H]ketanserin binding to frontal cerebral cortex membranes of rat
50028873	4	ChEMBL_222905 (CHEMBL844532)	Compound was evaluated for its ability to displace muscarinic agonist [3H]quinuclidinyl benzilate in rat cortical tissue (RCMD binding assay), at 0.1 uM concentration
50028873	5	ChEMBL_222906 (CHEMBL844533)	Compound was evaluated for its ability to displace muscarinic antagonist [3H]cis-methyldioxolane in rat cortical tissue (RQNB binding assay), at 1.0 uM concentration
50034698	10	ChEMBL_58537 (CHEMBL667473)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]spiperone as ligand; Value ranges from (124-550)
50034698	11	ChEMBL_58170 (CHEMBL669678)	Affinity of the Compound for Dopamine D1 receptor in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]SCH-23390 as ligand.
50034698	1	ChEMBL_58541 (CHEMBL667477)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine agonist [3H]N-propylnorapomorphine as ligand; Value ranges from (1.4-1.9)
50048301	1	ChEMBL_211315 (CHEMBL818975)	In vitro inhibition of purified bovine brain tubulin polymerisation in the absence of microtubule-associated proteins.
50031230	1	ChEMBL_609468 (CHEMBL1070385)	Inhibition of human DPP4
50031231	1	ChEMBL_609496 (CHEMBL1071768)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2
50031231	2	ChEMBL_609497 (CHEMBL1071769)	Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemiluminescence assay
50031231	3	ChEMBL_609498 (CHEMBL1071770)	Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assay
50031231	4	ChEMBL_609500 (CHEMBL1071772)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assay
50031231	5	ChEMBL_609499 (CHEMBL1071771)	Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assay
50031232	1	ChEMBL_609519 (CHEMBL1071791)	Inhibition of DPP4
50031233	1	ChEMBL_609532 (CHEMBL1072439)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by filtration techniques
50031233	2	ChEMBL_609533 (CHEMBL1073786)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay
50031233	3	ChEMBL_609534 (CHEMBL1073787)	Displacement of [3H]WIN-35428 from human DAT expressed in HEK293 cells by scintillation proximity assay
50031233	4	ChEMBL_609535 (CHEMBL1073788)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay
50031233	5	ChEMBL_609536 (CHEMBL1073789)	Agonist activity at 5HT1A receptor by GTPgammaS assay
50031233	6	ChEMBL_609753 (CHEMBL1069371)	Agonist activity at NET
50031233	7	ChEMBL_609754 (CHEMBL1069372)	Agonist activity at DAT
50031233	8	ChEMBL_609755 (CHEMBL1069373)	Agonist activity at SERT
50031234	1	ChEMBL_609762 (CHEMBL1069380)	Inhibition of human p38alpha after 60 mins
50048302	1	ChEMBL_47172 (CHEMBL883496)	In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte
50034702	3	ChEMBL_30560 (CHEMBL649872)	Affinity for Adenosine A2 receptor determined by [3H]NECA binding to rat striatal membranes
50034703	3	ChEMBL_33961 (CHEMBL649586)	Inhibition constant against Alpha-Fucosidase
50028904	6	ChEMBL_51497 (CHEMBL665832)	Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-Cyclooxygenase
50048303	1	ChEMBL_42936 (CHEMBL654578)	Displacement of [3H]nitrendipine from calcium channel receptor
50048303	2	ChEMBL_42938 (CHEMBL654580)	Displacement of [3H]nitrendipine from calcium channel receptor
50031236	2	ChEMBL_609787 (CHEMBL1070754)	Inhibition of VEGFR2 after 80 mins by radiometric protein kinase assay
50031236	3	ChEMBL_609786 (CHEMBL1070753)	Inhibition of VEGFR1 after 80 mins by radiometric protein kinase assay
50031236	4	ChEMBL_609785 (CHEMBL1070752)	Inhibition of TIE2 after 80 mins by radiometric protein kinase assay
50031236	5	ChEMBL_609784 (CHEMBL1070751)	Inhibition of PDGFRbeta after 80 mins by radiometric protein kinase assay
50031236	6	ChEMBL_609783 (CHEMBL1070750)	Inhibition of PDGFRalpha after 80 mins by radiometric protein kinase assay
50031236	7	ChEMBL_609782 (CHEMBL1070749)	Inhibition of KIT after 80 mins by radiometric protein kinase assay
50031236	8	ChEMBL_609781 (CHEMBL1070748)	Inhibition of IGF1R after 80 mins by radiometric protein kinase assay
50031236	9	ChEMBL_609780 (CHEMBL1070747)	Inhibition of ERBB2 after 80 mins by radiometric protein kinase assay
50031236	10	ChEMBL_609779 (CHEMBL1070746)	Inhibition of EGFR after 80 mins by radiometric protein kinase assay
50031237	1	ChEMBL_610114 (CHEMBL1074479)	Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning spectrophotometry
50031237	2	ChEMBL_610117 (CHEMBL1074482)	Displacement of [3H]estradiol from human recombinant ERalpha by liquid scintillation counting
50031237	3	ChEMBL_610119 (CHEMBL1074484)	Activation of ERalpha-mediated ERE activity in human T47D/neo cells after 18 hrs by luciferase reporter gene assay
50031237	4	ChEMBL_610118 (CHEMBL1074483)	Activation of ERalpha-mediated ERE activity in human T47D/PKC cells coexpressing PKCalpha after 18 hrs by luciferase reporter gene assay
50031238	1	ChEMBL_610126 (CHEMBL1074491)	Inhibition of GCAP by analogous luminescence assay
50031238	2	ChEMBL_610122 (CHEMBL1074487)	Inhibition of PLAP by analogous luminescence assay
50031238	3	ChEMBL_610123 (CHEMBL1074488)	Inhibition of TNAP by analogous luminescence assay
50031238	4	ChEMBL_610124 (CHEMBL1074489)	Inhibition of IAP by analogous luminescence assay
50031239	1	ChEMBL_610433 (CHEMBL1074040)	Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells
50031239	2	ChEMBL_610434 (CHEMBL1074041)	Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cells
50031239	3	ChEMBL_610435 (CHEMBL1074042)	Displacement of [125I]nisoxetine from human NET transfected in human HEK293 cells
50031240	1	ChEMBL_610510 (CHEMBL1064364)	Inhibition of mushroom tyrosinase
50031241	1	ChEMBL_610511 (CHEMBL1064982)	Antagonist activity at bradykinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization
50031242	1	ChEMBL_610790 (CHEMBL1068107)	Inhibition of CETP assessed as cholesteryl ester transfer activity
50028912	3	ChEMBL_30871 (CHEMBL646367)	Affinity towards adenosine A2 receptor
50028912	4	ChEMBL_30872 (CHEMBL643959)	Affinity towards adenosine A2 receptor
50048305	1	ChEMBL_209060 (CHEMBL815652)	Rate constant of deacylation for thrombin
50048305	2	ChEMBL_213230 (CHEMBL821441)	Rate constant of deacylation for trypsin
50048305	3	ChEMBL_210749 (CHEMBL818325)	Rate constant of deacylation for Urokinase-type plasminogen activator
50048305	4	ChEMBL_213231 (CHEMBL821442)	Rate constant of deacylation for trypsin; Fast and could not be measured
50034707	6	ChEMBL_64957 (CHEMBL675700)	Dissociation constant of the at EPSP synthase was determined
50034707	4	ChEMBL_64956 (CHEMBL675699)	Dissociation constant against EPSP synthase
50043990	2	ChEMBL_33765 (CHEMBL650238)	Affinity at Alpha-2 adrenergic receptor in rat brain
50028937	4	ChEMBL_144284 (CHEMBL754786)	Compound was evaluated for its ability to displace [3H]NT from the neurotensin receptor of bovine brain
50048306	1	ChEMBL_80144 (CHEMBL692755)	Inhibitory concentration against HIV-1 RT was determined
50028944	3	ChEMBL_51504 (CHEMBL666022)	Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)
50028946	3	ChEMBL_88360 (CHEMBL702582)	Inhibition of LTB4-induced CD11b/CD18 integrin up-regulation in human neutrophils
50028948	4	ChEMBL_3915 (CHEMBL619919)	Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.
50048307	5	ChEMBL_200339 (CHEMBL806571)	Compound was tested for its binding affinity against somatostatin receptors on AtT-20 cells
50048307	2	ChEBML_200353	Compound was tested for free energy of binding against somatostatin receptor
50048307	3	ChEBML_200351	Inhibitory activity against Somatostatin receptor in rat cortex membrane using 125 I-Tyrs-octreotide as radioligand
50048307	4	ChEBML_200349	Radioligand binding studies on rat cortex membranes using 125 I-Tyrs-octreotide as ligand was determined
50048308	1	ChEBML_28873	Inhibitor of avian myeloblastosis virus AMV reverse transcriptase
50048308	2	ChEBML_80130	The compound was evaluated as inhibitor of recombinant HIV-l reverse transcriptase
50048309	1	ChEBML_156479	Inhibition of guinea pig heart Phosphodiesterase 3
50034717	7	ChEMBL_162022 (CHEMBL770303)	Inhibitory concentration against calf spleen purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate
50048310	1	ChEMBL_161896 (CHEMBL772605)	Inhibition of protein kinase A
50048310	2	ChEMBL_162541 (CHEMBL767445)	Inhibition of protein kinase C
50031244	1	ChEMBL_610820 (CHEMBL1068137)	Inhibition of human FAAH expressed in human H4 cells
50031244	2	ChEMBL_610824 (CHEMBL1068141)	Competitive inhibition of human FAAH expressed in human H4 cells
50048311	1	ChEMBL_162396 (CHEMBL769343)	Binding to PKC in 3[H]-PBDU assay
50048314	8	ChEMBL_140055 (CHEMBL745872)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 66-83
50031245	2	ChEMBL_610871 (CHEMBL1065026)	Inhibition of human recombinant NQO1 by spectrophotometry
50048314	9	ChEMBL_140071 (CHEMBL747449)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 6200-9000
50048314	10	ChEMBL_139947 (CHEMBL748847)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 44-48
50048314	11	ChEMBL_139948 (CHEMBL748848)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 440-600
50048314	12	ChEMBL_139946 (CHEMBL748846)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 44-170
50031246	1	ChEMBL_611122 (CHEMBL1068772)	Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting
50031246	2	ChEMBL_610881 (CHEMBL1065036)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells by liquid scintillation counting
50048314	13	ChEMBL_140069 (CHEMBL747447)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 36000-40000
50048314	14	ChEMBL_139949 (CHEMBL748849)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 50-65
50048314	15	ChEMBL_139941 (CHEMBL748173)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 10-30
50048314	16	ChEMBL_140060 (CHEMBL872430)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 1400-2700
50048314	17	ChEMBL_140059 (CHEMBL745876)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 12500-16500
50048314	18	ChEMBL_139940 (CHEMBL748172)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex
50048314	19	ChEMBL_139943 (CHEMBL748843)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 155-265
50048314	20	ChEMBL_140062 (CHEMBL745878)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 16000-36000
50048314	21	ChEMBL_140058 (CHEMBL745875)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex
50048314	22	ChEMBL_140057 (CHEMBL745874)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 90-155
50048314	23	ChEMBL_140063 (CHEMBL747441)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 2000-4800
50048314	24	ChEMBL_140068 (CHEMBL747446)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 3400-8000
50048314	25	ChEMBL_139944 (CHEMBL748844)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 205-310
50048314	26	ChEMBL_140061 (CHEMBL745877)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 1400-2900
50048314	27	ChEMBL_139945 (CHEMBL748845)	Displacement of [3H]- oxotremorine-M (OXO-M) binding from muscarinic receptors of rat cerebral cortex; 230-335
50048314	28	ChEMBL_140066 (CHEMBL747444)	Displacement of [3H]quinuclidinyl benzilate(QNB) binding from muscarinic receptors of rat cerebral cortex; 2700-3000
50048315	1	ChEMBL_138201 (CHEMBL748430)	In vitro inhibition of [3H]quinuclidinyl benzilate (QNB) binding to muscarinic receptors of rat cerebral cortex
50048315	2	ChEMBL_138202 (CHEMBL748431)	In vitro inhibition of oxotremorine-M (OXO-M) binding to muscarinic receptors of rat cerebral cortex
50028992	5	ChEMBL_138203 (CHEMBL748432)	Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor
50028992	6	ChEMBL_138333 (CHEMBL748213)	Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex muscarinic receptor
50028993	2	ChEMBL_140072 (CHEMBL747450)	Displacement of [3H]-OXO-M (oxotremorine-M) from the central muscarinic receptor sites of the rat brain membranes
50031248	1	ChEMBL_611473 (CHEMBL1069455)	Inhibition of human recombinant SIRT1 by Flour de Lys assay
50031248	2	ChEMBL_611474 (CHEMBL1069456)	Inhibition of human recombinant SIRT2 by Flour de Lys assay
50031249	1	ChEMBL_611516 (CHEMBL1065733)	Binding affinity to rat histamine H3 receptor
50031249	2	ChEMBL_611486 (CHEMBL1069468)	Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry
50031250	1	ChEMBL_611536 (CHEMBL1066380)	Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins
50031250	2	ChEMBL_611537 (CHEMBL1066381)	Displacement of [125I]PYY from human neuropeptide Y2 receptor expressed in human SK-N-BE2 cells after 40 mins
50031250	3	ChEMBL_611538 (CHEMBL1066382)	Displacement of [125I]Pancreatic polypeptide from human neuropeptide Y4 receptor in human HEK293 cells after 40 mins
50031251	1	ChEMBL_611816 (CHEMBL1070108)	Inhibition of muscarinic M1 receptor
50031251	2	ChEMBL_611817 (CHEMBL1070109)	Inhibition of muscarinic M3 receptor
50031251	3	ChEMBL_611818 (CHEMBL1070110)	Inhibition of muscarinic M4 receptor
50031251	4	ChEMBL_611819 (CHEMBL1070111)	Inhibition of muscarinic M5 receptor
50031251	5	ChEMBL_611799 (CHEMBL1066456)	Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells
50031251	6	ChEMBL_611542 (CHEMBL1066386)	Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells
50031251	7	ChEMBL_611804 (CHEMBL1069499)	Displacement of [125I]BTX from human alpha7 nicotinic acetylcholine receptor expressed in IMR32 cells
50031251	8	ChEMBL_611801 (CHEMBL1069496)	Agonist activity at human 5HT3 receptor expressed in human skin epithelial cells assessed as stimulation of calcium flux by FLIPR assay
50031251	9	ChEMBL_611802 (CHEMBL1069497)	Inhibition of human ERG
50031252	1	ChEMBL_611830 (CHEMBL1070122)	Inhibition of Pseudomonas aeruginosa beta lactamase AmpC by spectrophotometry
50031254	1	ChEMBL_611868 (CHEMBL1070823)	Inhibition of PARP1 by microplate scintillation counting
50031254	2	ChEMBL_612148 (CHEMBL1073570)	Inhibition of PARP1 in human C41 cells
50031255	1	ChEMBL_612149 (CHEMBL1073571)	Inhibition of HDAC1
50031255	2	ChEMBL_612150 (CHEMBL1073572)	Inhibition of HDAC4
50031255	3	ChEMBL_612151 (CHEMBL1073573)	Inhibition of HDAC6
50031256	1	ChEMBL_612160 (CHEMBL1073582)	Inhibition of human ERG
50031256	2	ChEMBL_612155 (CHEMBL1073577)	Inhibition of 11beta-HSD1 in human microsomes by HTRF cortisol assay
50031256	3	ChEMBL_612156 (CHEMBL1073578)	Inhibition of 11beta-HSD1 in mouse C2C12 cells by HTRF cortisol assay
50031257	1	ChEMBL_612170 (CHEMBL1074165)	Inhibition of human recombinant COX2 by enzyme immuno assay
50031257	2	ChEMBL_612169 (CHEMBL1074164)	Inhibition of ovine COX1 by enzyme immuno assay
50031257	3	ChEMBL_612171 (CHEMBL1073591)	Inhibition of ovine COX2 by enzyme immuno assay
50031258	1	ChEMBL_612187 (CHEMBL1074125)	Inhibition of CYP2D6
50031258	3	ChEMBL_612185 (CHEMBL1074123)	Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells
50028995	9	ChEMBL_138273 (CHEMBL744230)	Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholine receptor M1
50048316	1	ChEMBL_139472 (CHEMBL748180)	In vitro ability to displace 3H-cis-methyltrimethylammoniummethyl-1,3-dioxolane [3H]CD) from rat cortical Muscarinic acetylcholine receptor in competition assay
50048316	2	ChEMBL_139473 (CHEMBL748181)	In vitro ability to displace [3H]quinuclidinyl benzilate [3H]QNB) from rat cortical Muscarinic acetylcholine receptor in competition assay
50031258	6	ChEMBL_612188 (CHEMBL1074126)	Inhibition of CYP3A4
50031259	1	ChEMBL_612189 (CHEMBL1074127)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellar membrane
50031259	2	ChEMBL_612190 (CHEMBL1074128)	Displacement of [3H]WIN-55212-2 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane
50031259	3	ChEMBL_612192 (CHEMBL1074130)	Inverse agonist activity at human recombinant CB1 receptor expressed in CHO cells by luciferase reporter gene assay
50031260	1	ChEMBL_612206 (CHEMBL1074144)	Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in rat liver homogenate
50031260	2	ChEMBL_612211 (CHEMBL1074149)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate
50031260	3	ChEMBL_612210 (CHEMBL1074148)	Displacement of [3H]-U-69593 from kappa-type opioid receptor in guinea pig brain homogenate
50031260	4	ChEMBL_612209 (CHEMBL1074147)	Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain homogenate
50048317	1	ChEMBL_41455 (CHEMBL652976)	Inhibitory activity for C5a anaphylatoxin chemotactic receptor binding using radiolabeled C5a receptor on neutrophil membranes (~2.0 uM)
50048317	2	ChEMBL_41604 (CHEMBL650557)	Inhibitory activity against purified binding C5a anaphylatoxin chemotactic receptor
50048317	3	ChEMBL_41456 (CHEMBL652977)	Inhibitory activity against radiolabeled C5a receptor on neutrophil membranes expressing C5a anaphylatoxin chemotactic receptor
50048318	1	ChEMBL_159633 (CHEMBL763424)	Inhibitory concentration against HIV-1 Protease at pH 5.6 and at 37 degrees C
50029003	3	ChEMBL_51488 (CHEMBL665677)	Compound was evaluated for inhibition against cyclooxygenase of bovine seminal vesicles
50031262	1	ChEMBL_612231 (CHEMBL1074171)	Displacement of [3H]Ketanserin from human cloned 5HT2A receptor
50031262	2	ChEMBL_612232 (CHEMBL1074172)	Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor
50048319	1	ChEMBL_36330 (CHEMBL650157)	Binding against Angiotensin II receptor in a radioligand binding assay using [125I]-Sar1-Ile8 angiotensin-II as radioligand in rat adrenal cortical membranes
50029027	3	ChEMBL_34135 (CHEMBL644129)	Tested for the Alpha-1 adrenergic receptor affinity in a standard radioligand binding assay with [3H]- prazosin
50029028	2	ChEMBL_140336 (CHEMBL749580)	Tested for the ability to displace [3H]CGS-19,755 (10 nM) binding in rat forebrain membranes for NMDA receptor
50029029	5	ChEMBL_138336 (CHEMBL747766)	Tested for its binding affinity against muscarinic receptor; showed no appreciable affinity at concentration specified
50029029	7	ChEMBL_33416 (CHEMBL648812)	Tested for its binding affinity against Alpha-1 adrenergic receptor; showed no appreciable affinity at concentration specified
50029029	6	ChEMBL_193825 (CHEMBL803380)	Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes
50031265	1	ChEMBL_612736 (CHEMBL1070200)	Inhibition of JNK1 by TR-FRET assay
50031265	2	ChEMBL_612738 (CHEMBL1070202)	Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay
50031265	3	ChEMBL_612740 (CHEMBL1070204)	Inhibition of p38alpha MAPK
50031265	4	ChEMBL_612741 (CHEMBL1070205)	Inhibition of AKT
50031265	5	ChEMBL_612742 (CHEMBL1070206)	Inhibition of FURIN
50031265	6	ChEMBL_612743 (CHEMBL1070207)	Inhibition of Bacillus anthracis anthrax lethal factor
50031265	7	ChEMBL_612750 (CHEMBL1071576)	Inhibition of wild-type JNK2 by isothermal calorimetry
50048320	1	ChEMBL_1540 (CHEMBL616363)	The compound was evaluated for its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in cellular brain membranes
50048320	2	ChEMBL_1826 (CHEMBL616798)	The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes
50031267	1	ChEMBL_612765 (CHEMBL1071591)	Binding affinity to histamine H3 receptor
50031267	2	ChEMBL_612767 (CHEMBL1071593)	Displacement of [3H]histamine from human histamine H4 receptor
50031267	3	ChEMBL_612766 (CHEMBL1071592)	Displacement of [3H]Nalpha-methylahistamine from human histamine H3 receptor
50031268	1	ChEMBL_612769 (CHEMBL1071595)	Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay
50031268	2	ChEMBL_612770 (CHEMBL1071596)	Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay
50031268	3	ChEMBL_612779 (CHEMBL1071605)	Inhibition of human MAOA
50031268	4	ChEMBL_612780 (CHEMBL1071606)	Inhibition of human MAOB
50048320	3	ChEMBL_2219 (CHEMBL617165)	The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranes
50031270	3	ChEMBL_607913 (CHEMBL1066241)	Inhibition of human PDE4D
50029035	4	ChEMBL_162388 (CHEMBL767476)	In vitro for inhibitory activity against protein kinase C from rat brain
50031271	1	ChEMBL_607930 (CHEMBL1066258)	Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader
50031272	1	ChEMBL_607962 (CHEMBL1071732)	Inhibition of EGFR expressed in Sf9 cells assessed as inhibition of receptor autophosphorylation by DELFIA time resolved fluorimetry
50031273	1	ChEMBL_607963 (CHEMBL1071733)	Inhibition of electric eel AChE by modified Ellman method
50031273	2	ChEMBL_607964 (CHEMBL1071734)	Inhibition of horse serum BChE by Ellman's method
50031273	3	ChEMBL_607966 (CHEMBL1071736)	Inhibition of electric eel AChE by enzyme kinetics assay
50031273	4	ChEMBL_607967 (CHEMBL1071737)	Inhibition of horse serum BChE by enzyme kinetics assay
50031274	1	ChEMBL_607972 (CHEMBL1071742)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain
50031274	2	ChEMBL_607974 (CHEMBL1072390)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum
50031275	1	ChEMBL_607975 (CHEMBL1072391)	Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins
50031275	2	ChEMBL_607976 (CHEMBL1072392)	Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity
50031276	1	ChEMBL_608233 (CHEMBL1072422)	Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase reporter gene assay
50031276	3	ChEMBL_608235 (CHEMBL1072424)	Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase reporter gene assay
50029043	6	ChEMBL_1455 (CHEMBL616578)	The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 3*10e-5 M GTP gamma S
50034734	4	ChEBML_158154	Tested for its inhibitory activity against PGS (prostaglandin synthetase).
50048321	1	ChEMBL_98507 (CHEMBL709169)	Inhibition of specific binding of [3H]-LTB4 to LTB4 receptor in guinea pig lung membranes
50048321	2	ChEMBL_98516 (CHEMBL873016)	Inhibition of specific binding of [3H]LTB4 to LTB4 receptor in human neutrophils
50034734	5	ChEMBL_158154 (CHEMBL766946)	Tested for its inhibitory activity against PGS (prostaglandin synthetase).
50029051	6	ChEMBL_92945 (CHEMBL706156)	Inhibition of [3H]PN-200-110 binding to L-type calcium channels in rat cortex membranes.
50048322	1	ChEMBL_40896 (CHEMBL653649)	Inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme
50048322	2	ChEMBL_41054 (CHEMBL648218)	Inhibitory activity against Staphylococcus aureus CJ8 beta-lactamase enzyme
50048322	3	ChEMBL_40707 (CHEMBL654919)	Inhibitory activity against Escherichia coli HA208 Class-III SHV-1 type beta-lactamase enzyme
50048322	4	ChEMBL_40416 (CHEMBL652631)	Inhibitory activity against Enterobacter cloacae HC8 Class-I beta-lactamase enzyme type P99
50048322	5	ChEMBL_40225 (CHEMBL653998)	Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme
50048322	6	ChEMBL_40871 (CHEMBL653625)	Inhibitory activity against Klebsiella oxytoca HC7 Class-IV K1 type beta-lactamase enzyme
50048322	7	ChEMBL_40708 (CHEMBL654920)	Inhibitory activity against Escherichia coli HA209 Class-V OXA-1 type beta-lactamase enzyme
50048322	8	ChEMBL_40257 (CHEMBL656487)	Inhibitory activity against Citrobacter freundii 87470 Class-I beta-lactamase enzyme
50048322	9	ChEMBL_40251 (CHEMBL855016)	Inhibitory activity against Bacteroides fragilis 88854 Class-I beta-lactamase enzyme
50048322	10	ChEMBL_40709 (CHEMBL655783)	Inhibitory activity against Escherichia coli HA58R Class-III TEM-1 type beta-lactamase enzyme
50048322	11	ChEMBL_41190 (CHEMBL655127)	Tested for the inhibitory activity against Proteus vulgaris HJ33C Class-I beta-lactamase enzyme
50031278	1	ChEMBL_608574 (CHEMBL1065839)	Agonist activity at LPA1 expressed in human chem1 cells assessed as intracellular calcium mobilization by FLIPR assay
50031278	2	ChEMBL_608575 (CHEMBL1065840)	Agonist activity at LPA3 expressed in human chem1 cells assessed as intracellular calcium mobilization by FLIPR assay
50031278	3	ChEMBL_608576 (CHEMBL1065841)	Agonist activity at LPA5 expressed in human chem1 cells assessed as intracellular calcium mobilization by FLIPR assay
50031278	4	ChEMBL_608577 (CHEMBL1065842)	Antagonist activity at LPA1 expressed in human chem1 cells assessed as effect on intracellular calcium mobilization by FLIPR assay
50031279	1	ChEMBL_608587 (CHEMBL1065852)	Inhibition of human recombinant COX2 expressed in insect Sf9 cells by enzyme immunoassay
50031279	3	ChEMBL_608591 (CHEMBL1065856)	Inhibition of COX1 in mouse RAW264.7 cells by enzyme immunoassay
50031279	4	ChEMBL_608592 (CHEMBL1065857)	Inhibition of COX2 in mouse RAW264.7 cells by enzyme immunoassay
50031279	5	ChEMBL_608594 (CHEMBL1065859)	Inhibition of LOX5 in human PMBL by enzyme immunoassay
50031280	1	ChEMBL_608924 (CHEMBL1071091)	Inhibition of human MK2 by FRET assay
50031280	2	ChEMBL_608930 (CHEMBL1071097)	Inhibition of CDK2
50031280	3	ChEMBL_608931 (CHEMBL1071098)	Inhibition of JNK1
50031280	4	ChEMBL_608932 (CHEMBL1071099)	Inhibition of JNK2
50031280	5	ChEMBL_608933 (CHEMBL1071100)	Inhibition of p38alpha
50031281	1	ChEMBL_609238 (CHEMBL1068662)	Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assay
50031282	1	ChEMBL_622099 (CHEMBL1114098)	Binding affinity to recombinant PDE4D by surface plasmon resonance assay
50031283	1	ChEMBL_622100 (CHEMBL1114099)	Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay
50031283	2	ChEMBL_622101 (CHEMBL1114100)	Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting
50031283	3	ChEMBL_622103 (CHEMBL1114102)	Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17-beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine incorporation assay
50031283	4	ChEMBL_622102 (CHEMBL1114101)	Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17-beta-estradiol-induced alkaline phosphatase activity after 3 days by chemiluminescence assay
50031285	1	ChEMBL_622799 (CHEMBL1108538)	Inhibition of Electrophorus electricus AChE
50031286	1	ChEMBL_618113 (CHEMBL1101617)	Inhibition of XOD
50031286	2	ChEMBL_618114 (CHEMBL1101618)	Inhibition of human recombinant PTP1B after 10 mins
50031287	1	ChEMBL_618465 (CHEMBL1100451)	Inhibition of CYP2C9
50031288	1	ChEMBL_618469 (CHEMBL1100455)	Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry
50031289	1	ChEMBL_619398 (CHEMBL1104156)	Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of
50031289	2	ChEMBL_619399 (CHEMBL1104157)	Inhibition of PKAalpha assessed as decrease in NADH absorbance at 340 nm in the presence of
50031289	3	ChEMBL_619400 (CHEMBL1104158)	Inhibition of GSK3-beta assessed as decrease in NADH absorbance at 340 nm in the presence of
50031289	4	ChEMBL_619401 (CHEMBL1104159)	Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of
50031290	1	ChEMBL_619413 (CHEMBL1104171)	Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in plasma
50031290	2	ChEMBL_619410 (CHEMBL1104168)	Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	3	ChEMBL_619411 (CHEMBL1104169)	Displacement of [125I]-1P10 from human CXCR3 expressed in human PBMC after 2 hrs by scintillation counting in plasma
50031290	4	ChEMBL_619414 (CHEMBL1104172)	Displacement of [125I]-ITAC from human CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	5	ChEMBL_619412 (CHEMBL1104170)	Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to ITAC in RPMI buffer
50031290	6	ChEMBL_619415 (CHEMBL1104173)	Displacement of [125I]-IP10 from rat CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	7	ChEMBL_619416 (CHEMBL1104174)	Displacement of [125I]-IP10 from mouse CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	8	ChEMBL_619417 (CHEMBL1104175)	Displacement of [125I]-IP10 from dog CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	9	ChEMBL_619418 (CHEMBL1104176)	Displacement of [125I]-IP10 from rhesus monkey CXCR3 expressed in human PBMC after 2 hrs in RPMI buffer by scintillation counting
50031290	10	ChEMBL_619419 (CHEMBL1104177)	Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to IP10 in buffer
50031290	11	ChEMBL_619420 (CHEMBL1104178)	Antagonist activity against human CXCR3 expressed in human PBMC assessed as inhibition of cell migration in response to MIG in buffer
50031291	1	ChEMBL_620083 (CHEMBL1108551)	Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 mins
50031292	1	ChEMBL_620093 (CHEMBL1109348)	Inhibition of bovine seminal ribonuclease assessed as enzyme activity by spectrophotometric method at pH 6
50031292	2	ChEMBL_620094 (CHEMBL1109349)	Inhibition of bovine pancreatic ribonuclease A assessed as enzyme activity by spectrophotometric method pH 6
50031293	1	ChEMBL_620095 (CHEMBL1109350)	Inhibition of pig kidney DPP4 by spectrophotometric method
50031293	2	ChEMBL_620096 (CHEMBL1109351)	Inhibition of PEP
50031293	3	ChEMBL_620098 (CHEMBL1109353)	Inhibition of elastase
50031293	4	ChEMBL_620099 (CHEMBL1109354)	Inhibition of DPP2
50031293	5	ChEMBL_620100 (CHEMBL1109355)	Inhibition of DPP8
50031293	6	ChEMBL_620101 (CHEMBL1109356)	Inhibition of DPP9
50031294	1	ChEMBL_620108 (CHEMBL1109363)	Inhibition of Electrophorus electricus AChE by Ellman's method
50031295	2	ChEMBL_620385 (CHEMBL1112280)	Inhibition of Aurora A after 60 mins
50031296	1	ChEMBL_620391 (CHEMBL1112286)	Binding affinity to VEGFR2
50031296	2	ChEMBL_620389 (CHEMBL1112284)	Binding affinity to FLT3
50031296	3	ChEMBL_620392 (CHEMBL1112287)	Binding affinity to KIT
50031296	4	ChEMBL_620393 (CHEMBL1112288)	Binding affinity to CSF1R
50031296	5	ChEMBL_620394 (CHEMBL1112289)	Binding affinity to RET
50031296	6	ChEMBL_620395 (CHEMBL1112290)	Binding affinity to PDGFRalpha
50031296	7	ChEMBL_620396 (CHEMBL1112291)	Binding affinity to PDGFRbeta
50031297	1	ChEMBL_620410 (CHEMBL1112305)	Inhibition of human ERG
50031297	2	ChEMBL_620420 (CHEMBL1112315)	Inhibition of CYP2D6
50031297	3	ChEMBL_620421 (CHEMBL1112316)	Inhibition of CYP1A2
50031297	4	ChEMBL_620422 (CHEMBL1112317)	Inhibition of CYP2C9
50031297	5	ChEMBL_620423 (CHEMBL1112318)	Inhibition of CYP2C19
50031297	6	ChEMBL_620424 (CHEMBL1112319)	Inhibition of CYP3A4 using felodipine as a substrate
50031297	7	ChEMBL_620425 (CHEMBL1112320)	Inhibition of CYP3A4 using midazolam as a substrate
50031297	8	ChEMBL_620426 (CHEMBL1112321)	Inhibition of CYP3A4 using testosterone as a substrate
50031297	9	ChEMBL_620416 (CHEMBL1112311)	Binding affinity to kappa opioid receptor
50031297	10	ChEMBL_620406 (CHEMBL1112301)	Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting
50031297	11	ChEMBL_620407 (CHEMBL1112302)	Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting
50031297	12	ChEMBL_620408 (CHEMBL1112303)	Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting
50031298	1	ChEMBL_620769 (CHEMBL1107655)	Inhibition of TREK-1 K(+) channel in bovine AZF cells
50031299	1	ChEMBL_621086 (CHEMBL1113170)	Inhibition of human recombinant cathepsin C
50031299	2	ChEMBL_621092 (CHEMBL1113176)	Inhibition of human cathepsin B
50031299	3	ChEMBL_621093 (CHEMBL1113177)	Inhibition of human cathepsin L
50031299	4	ChEMBL_621094 (CHEMBL1113178)	Inhibition of human cathepsin S
50031299	5	ChEMBL_621095 (CHEMBL1113179)	Inhibition of human cathepsin H
50031299	6	ChEMBL_621096 (CHEMBL1113180)	Inhibition of human cathepsin G
50031299	7	ChEMBL_621097 (CHEMBL1113181)	Inhibition of human Neutrophil elastase
50031299	8	ChEMBL_621098 (CHEMBL1113182)	Inhibition of human Proteinase-3
50031301	1	ChEMBL_621115 (CHEMBL1113199)	Displacement of [125I]RANTES from human CCR5 receptor co-transfected with Galphai6 in CHO cells
50031301	2	ChEMBL_621149 (CHEMBL1114080)	Binding affinity to human CCR1 receptor
50031301	3	ChEMBL_621150 (CHEMBL1114081)	Binding affinity to human CCR2b receptor
50031301	4	ChEMBL_621151 (CHEMBL1114082)	Binding affinity to human CCR3 receptor
50031301	5	ChEMBL_621152 (CHEMBL1114083)	Binding affinity to human CCR4 receptor
50031301	6	ChEMBL_621153 (CHEMBL1114084)	Binding affinity to human CCR6 receptor
50031301	7	ChEMBL_621154 (CHEMBL1114085)	Binding affinity to human CXCR4
50031301	8	ChEMBL_621155 (CHEMBL1114086)	Inhibition of human ERG
50031302	1	ChEMBL_621465 (CHEMBL1100026)	Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline
50031303	1	ChEMBL_621469 (CHEMBL1100030)	Inhibition of GST-tagged MAPKAPK2 assessed as [33P] incorporation after 40 mins by scintillation proximity assay
50031304	1	ChEMBL_621472 (CHEMBL1100033)	Inhibition of human soluble epoxide hydrolase
50031304	2	ChEMBL_621473 (CHEMBL1100034)	Inhibition of rat soluble epoxide hydrolase
50031304	3	ChEMBL_621475 (CHEMBL1100146)	Inhibition of human microsomal epoxide hydrolase
50031304	4	ChEMBL_621476 (CHEMBL1100147)	Inhibition of CYP2C9
50031304	5	ChEMBL_621477 (CHEMBL1100148)	Inhibition of CYP2D6
50031304	6	ChEMBL_621481 (CHEMBL1100152)	Inhibition of Nav1.5 channel
50031304	7	ChEMBL_621478 (CHEMBL1100149)	Inhibition of CYP3A4
50031304	8	ChEMBL_621474 (CHEMBL1100145)	Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET production
50031304	9	ChEMBL_621493 (CHEMBL1100164)	Inhibition of CYP2C8
50031305	1	ChEMBL_621523 (CHEMBL1108441)	Inhibition of CYP3A4 after 30 mins by fluorescence microplate reader assay
50031306	1	ChEMBL_622187 (CHEMBL1106811)	Inhibition of GST-tagged human PTP1B
50031307	1	ChEMBL_622191 (CHEMBL1106815)	Displacement of fluorescent estrogen ES2 from human recombinant ERalpha by fluorescence polarization assay
50031307	2	ChEMBL_622192 (CHEMBL1106816)	Displacement of fluorescent estrogen ES2 from human recombinant ERbeta by fluorescence polarization assay
50031308	1	ChEMBL_622215 (CHEMBL1106839)	Inhibition of gelatinolytic activity of MMP2 in rat lung homogenate after 40 mins by SDS-PAGE preincubated for 30 mins
50031309	1	ChEMBL_622493 (CHEMBL1113943)	Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation counting
50031309	2	ChEMBL_622529 (CHEMBL1116587)	Inhibition of [3H]5-HT uptake at SERT
50031309	3	ChEMBL_622528 (CHEMBL1116586)	Inhibition of [3H]5-HT uptake at SERT in rat brain synaptosome
50031309	4	ChEMBL_622530 (CHEMBL1116588)	Inhibition of human noradrenaline transporter
50031309	5	ChEMBL_622531 (CHEMBL1116589)	Inhibition of human dopamine transporter
50031309	6	ChEMBL_622532 (CHEMBL1116590)	Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells after 10 mins by scintillation counting
50031309	7	ChEMBL_622498 (CHEMBL1113948)	Induction of human SERT-dependent cytotoxicity in SERT expressing HEK293 cells after 48 hrs by neutral red assay
50031310	1	ChEMBL_622825 (CHEMBL1105835)	Inhibition of telomerase in human A2780 cells by TRAP assay
50031311	1	ChEMBL_622829 (CHEMBL1105839)	Antagonist activity at human adenosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay
50031311	2	ChEMBL_622830 (CHEMBL1105840)	Antagonist activity at human adenosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay
50031312	1	ChEMBL_623169 (CHEMBL1111449)	Displacement of [3H]flumazenil from GABAA alpha-1-beta-3-gamma-2 receptor
50031312	2	ChEMBL_623171 (CHEMBL1111451)	Displacement of [3H]flumazenil from GABAA alpha-3-beta-3-gamma-2 receptor
50031312	3	ChEMBL_623170 (CHEMBL1111450)	Displacement of [3H]flumazenil from GABAA alpha-2-beta-3-gamma-2 receptor
50031312	4	ChEMBL_623168 (CHEMBL1111448)	Displacement of [3H]flumazenil from GABAA alpha-5-beta-3-gamma-2 receptor
50029054	3	ChEMBL_64000 (CHEMBL673109)	Inhibitory activity against human leukocyte elastase (HLE) was determined
50048323	1	ChEMBL_63970 (CHEMBL677438)	Compound was evaluated for the inhibitory activity against Human leukocyte elastase; time-dependent inhibition was not observed
50029067	3	ChEMBL_30870 (CHEMBL646366)	Tested for inhibition of adenosine A2 receptor binding to rat brain
50048324	1	ChEMBL_36477 (CHEMBL651546)	Tested for binding affinity by measuring displacement of [125I]-Sar1 Ile8 angiotensin II from rat adrenal cortical membranes
50034739	6	ChEMBL_196572 (CHEMBL800450)	Compound was evaluated to inactivate the bacterial AdoMet-DC; value ranges from 3.8 to 39.6 uM
50034739	2	ChEMBL_196571 (CHEMBL800449)	Compound was evaluated to inactivate the bacterial AdoMet-DC
50029084	2	ChEMBL_158287 (CHEMBL765102)	The compound was tested for the inhibition of Prostaglandin G/H synthase in intact basophilic rat leukemia cells
50048325	1	ChEMBL_138219 (CHEMBL748607)	The compound was tested in vitro for its binding affinity to muscarinic receptor on rat brain membrane by competitive binding assay using [3H]-QNB
50029089	11	ChEMBL_64950 (CHEMBL675695)	Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase
50029089	4	ChEMBL_65093 (CHEMBL673150)	Tested for the inhibition against Escherichia coli 5-enolpyruvyl-shikimate-3-phosphate synthase versus phosphoenolpyruvate
50034740	2	ChEMBL_197377 (CHEMBL800630)	Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli
50048326	2	ChEMBL_75871 (CHEMBL687258)	In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)
50048326	1	ChEBML_75871	In vitro antibacterial activity was determined as inhibitory concentration causing 50% DNA-gyrase supercoiling inhibition (SCI)
50034741	6	ChEMBL_68002 (CHEMBL678511)	Binding affinity against estrone sulfatase in breast tumor preparations
50048327	1	ChEMBL_158238 (CHEMBL762259)	Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase) at a compound dose of 0.2 g
50048327	2	ChEBML_158239	Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase) at the compound dose of 0.2 g
50031314	1	ChEMBL_619181 (CHEMBL1102419)	Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from AFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometry
50031314	2	ChEMBL_619182 (CHEMBL1102420)	Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from EFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometry
50031314	3	ChEMBL_619183 (CHEMBL1102421)	Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from HFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometry
50031314	4	ChEMBL_619184 (CHEMBL1102422)	Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from IFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometry
50031314	5	ChEMBL_619185 (CHEMBL1102423)	Displacement of radiolabeled 1-anilinonaphthalene 8-sulfonic acid from LFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometry
50031315	2	ChEMBL_619236 (CHEMBL1100403)	Inhibition PI3K-alpha-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay
50031315	3	ChEMBL_619469 (CHEMBL1107745)	Inhibition PI3K-beta-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay
50031315	4	ChEMBL_619470 (CHEMBL1107746)	Inhibition PI3K-gamma-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay
50031315	5	ChEMBL_619471 (CHEMBL1107747)	Inhibition PI3K-delta-mediated PIP2 phosphorylation after 20 mins by alphascreen competition assay
50031315	6	ChEMBL_619472 (CHEMBL1107748)	Inhibition of ATR
50048327	7	ChEMBL_158243 (CHEMBL762425)	Tested for hydrolysis with 1.0 ug/mL of PPL (porcine pancreatic lipase)at the compound dose of 0.2 g
50048327	6	ChEMBL_158242 (CHEMBL762424)	Tested for hydrolysis with 1.0 ug/mL of PPL (porcine pancreatic lipase), 2.2 ug/mL of colipase and 4 mM of sodium taurodeoxycholatet (NaTDC) at the compound dose of 0.2 g
50031316	1	ChEMBL_619477 (CHEMBL1107753)	Inhibition of GST-tagged JAK2 kinase
50031316	2	ChEMBL_619479 (CHEMBL1107755)	Inhibition of GST-tagged JAK3 kinase
50031316	3	ChEMBL_619489 (CHEMBL1108560)	Inhibition of GST-tagged JAK1
50031317	1	ChEMBL_619498 (CHEMBL1111355)	Displacement of [3H]Flumazenil from cloned human GABA alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells
50031317	2	ChEMBL_619508 (CHEMBL1111365)	Displacement of [3H]Flumazenil from cloned human GABA alpha-1-beta-3-gamma-2 receptor expressed in HEK293 cells
50031317	3	ChEMBL_619509 (CHEMBL1111366)	Displacement of [3H]Flumazenil from cloned human GABA alpha-2-beta-3-gamma-2 receptor expressed in HEK293 cells
50031317	4	ChEMBL_619510 (CHEMBL1111367)	Displacement of [3H]Flumazenil from cloned human GABA alpha-3-beta-3-gamma-2 receptor expressed in HEK293 cells
50031317	5	ChEMBL_619504 (CHEMBL1111361)	Displacement of [3H]Flumazenil from human GABA alpha-5-beta-3-gamma-2 receptor expressed in insect SF9 cells
50031318	1	ChEMBL_619544 (CHEMBL1111401)	Displacement of [3H]8OH-DPAT from 5HT1A receptor at 10 uM by scintillation counting
50031318	2	ChEMBL_619545 (CHEMBL1111402)	Displacement of [125I]Iodoclonidine from alpha-2C adrenergic receptor at 10 uM by scintillation counting
50031318	3	ChEMBL_619546 (CHEMBL1111403)	Displacement of [3H]U69593 from kappa opioid receptor at 10 uM by scintillation counting
50031318	4	ChEMBL_619547 (CHEMBL1111404)	Displacement of [3H]DAMGO from mu opioid at 10 uM by scintillation counting
50048327	5	ChEMBL_158241 (CHEMBL762262)	Tested for hydrolysis with 0.5 ug/mL of PPL (porcine pancreatic lipase), 1.5 ug/mL of colipase and 4 mM of sodium taurodeoxycholatet (NaTDC) at the compound dose of 0.2 g
50031318	6	ChEMBL_619541 (CHEMBL1111398)	Displacement of [3H]CP-55940 from CB1 receptor by scintillation counting
50031318	7	ChEMBL_619542 (CHEMBL1111399)	Displacement of [3H]CP-55940 from CB2 receptor by scintillation counting
50048327	4	ChEMBL_158240 (CHEMBL762261)	Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase), 1.5 ug/mL of colipase and 4 mM sodium taurodeoxycholatet (NaTDC) at a compound concentration of 0.2 g
50048328	1	ChEMBL_213126 (CHEMBL818205)	Concentration of compound required for 50% inhibition of type III cAMP phosphodiesterase from dog ventricles, activity expressed as pIC50
50029112	5	ChEMBL_63510 (CHEMBL677260)	The inhibitory constant was evaluated against Endothelin A receptor
50048329	1	ChEMBL_33568 (CHEMBL648584)	Alpha-1 adrenergic receptor binding affinity was evaluated by its ability to displace [3H]prazosin in rat brain synaptosomes
50040988	3	ChEMBL_3321 (CHEMBL619021)	Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae
50031319	2	ChEMBL_619830 (CHEMBL1106707)	Inhibition of MMP-1
50031319	3	ChEMBL_619831 (CHEMBL1106708)	Inhibition of TACE
50031320	1	ChEMBL_619835 (CHEMBL1106712)	Displacement of [35S]MK0677 from human GHS-R1a
50031320	2	ChEMBL_619834 (CHEMBL1106711)	Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-stimulated intracellular calcium mobilization
50031320	3	ChEMBL_619838 (CHEMBL1106715)	Inhibition of human GHS-R1a
50031320	4	ChEMBL_619836 (CHEMBL1106713)	Inhibition of human adrenergic beta3 receptor
50031320	5	ChEMBL_619837 (CHEMBL1106714)	Agonist activity at human adrenergic beta3 receptor
50031321	1	ChEMBL_619845 (CHEMBL1106722)	Inhibition of yeast mitochondrial F0F1-ATPase
50031322	1	ChEMBL_619853 (CHEMBL1106730)	Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol after 7 hrs
50031324	1	ChEMBL_619859 (CHEMBL1107602)	Inhibition of Pseudomonas aeruginosa LasB by fluorimetric assay in buffer of pH 7.2
50031325	1	ChEMBL_619860 (CHEMBL1109341)	Inhibition of Trypanosoma cruzi cruzain after 5 mins
50031325	2	ChEMBL_619861 (CHEMBL1109342)	Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins
50031325	3	ChEMBL_619863 (CHEMBL1109344)	Inhibition of Trypanosoma brucei Cathepsin B-like protease after 5 mins
50031326	1	ChEMBL_620187 (CHEMBL1115822)	Inhibition of PTP1B mediated pNPP hydrolysis
50031326	2	ChEMBL_620188 (CHEMBL1115823)	Inhibition of TCPTP
50031326	3	ChEMBL_620189 (CHEMBL1115824)	Inhibition of SHP-2
50031326	4	ChEMBL_620190 (CHEMBL1115825)	Inhibition of LAR
50031326	5	ChEMBL_620191 (CHEMBL1115826)	Inhibition of CD45
50031326	6	ChEMBL_620469 (CHEMBL1099982)	Competitive inhibition of PTP1B mediated pNPP hydrolysis by Lineweaver-Burke plot analysis
50034747	7	ChEMBL_158071 (CHEMBL764900)	Compound was tested for its ability to inhibit porcine pancreas phospholipase-A2
50031328	1	ChEMBL_620496 (CHEMBL1107564)	Inhibition of bovine milk XOR-mediated uric acid formation after 15 mins by spectrophotometer
50031329	1	ChEMBL_620507 (CHEMBL1107575)	Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counting
50031330	1	ChEMBL_621603 (CHEMBL1113035)	Displacement of SST14 from human recombinant SST2 receptor
50031330	2	ChEMBL_621604 (CHEMBL1113036)	Displacement of SST14 from human recombinant SST3 receptor
50031330	3	ChEMBL_621605 (CHEMBL1113037)	Displacement of SST14 from human recombinant SST4 receptor
50031330	4	ChEMBL_621600 (CHEMBL1113032)	Binding affinity to human histamine H1 receptor
50031330	5	ChEMBL_621606 (CHEMBL1113038)	Binding affinity to human 5HT2B receptor
50031330	6	ChEMBL_621602 (CHEMBL1113034)	Displacement of SST14 from human recombinant SST1 receptor
50031330	7	ChEMBL_621608 (CHEMBL1113040)	Inhibition of human ERG expressed in CHO cells by patch clamp technique
50031330	8	ChEMBL_621613 (CHEMBL1115684)	Antagonist activity at human SST5 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release by TR-FRET assay
50031330	9	ChEMBL_621599 (CHEMBL1113031)	Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay
50034747	8	ChEMBL_3909 (CHEMBL619913)	Inhibition of rat basophilic leukemia cell 5-lipoxygenase
50034747	9	ChEMBL_156506 (CHEMBL765138)	Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat
50048330	1	ChEMBL_36470 (CHEMBL653123)	Competitive inhibition of Angiotensin II receptor binding of radiolabeled AII to rat adrenal glomerulosa tissue by 50%
50034748	8	ChEMBL_45335 (CHEMBL661023)	Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E
50034748	5	ChEMBL_160728 (CHEMBL873426)	Tested for the inhibition of HIV-2 protease
50034748	9	ChEMBL_153973 (CHEMBL762325)	Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin
50034748	10	ChEMBL_157566 (CHEMBL873418)	Evaluated for inhibitory activity against HIV-1 protease
50034748	11	ChEMBL_45171 (CHEMBL662656)	Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D
50034748	12	ChEMBL_196257 (CHEMBL803234)	Compound was evaluated for aspartyl protease inhibition selectivity relative to renin
50034751	3	ChEMBL_50062 (CHEMBL662431)	Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A receptor of rat pancreas
50034751	4	ChEMBL_48258 (CHEMBL661470)	Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B receptor of mouse cerebral cortex
50048331	1	ChEMBL_36469 (CHEMBL653122)	Angiotensin II receptor antagonist activity was determined by 50% inhibition of specific binding of [3H]angiotensin II (2 nM) to rat adrenal cortical microsomes
50048332	1	ChEMBL_36176 (CHEMBL876744)	Displacement of monoiodinated angiotensin II from guinea-pig adrenal gland angiotensin II receptor
50034753	3	ChEMBL_161422 (CHEMBL766690)	Tested for inhibition against purified catalytic subunit of protein phosphatase-1 from rabbit skeletal muscle
50048333	1	ChEMBL_36342 (CHEMBL651149)	Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membrane
50029156	2	ChEMBL_162560 (CHEMBL768502)	Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C
50048334	1	ChEMBL_36328 (CHEMBL650155)	Compound was tested for inhibition of Angiotensin II receptor in rabbit aorta binding assay
50034755	8	ChEMBL_62949 (CHEMBL675533)	Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship
50034755	3	ChEMBL_62805 (CHEMBL674118)	Ability to displace [3H]-Mazindol from dopamine receptor
50048335	1	ChEMBL_3391 (CHEMBL619421)	Binding affinity to 5-hydroxytryptamine 3 receptor was determined in rat cerebro cortical membranes using [3H]quipazine.
50048335	2	ChEMBL_3351 (CHEMBL857886)	5-hydroxytryptamine 4 receptor agonist activity in the rat esophageal muscularis mucosae
50031332	2	ChEMBL_622265 (CHEMBL1110410)	Inhibition of PKACalpha in presence of 1000 uM ATP
50031332	3	ChEMBL_622266 (CHEMBL1110411)	Inhibition of PKBgamma in presence of 100 uM ATP
50031333	1	ChEMBL_622574 (CHEMBL1109286)	Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate
50031333	2	ChEMBL_622575 (CHEMBL1109287)	Inhibition of human recombinant CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin as substrate
50031333	3	ChEMBL_622573 (CHEMBL1109285)	Inhibition of human recombinant CYP2D6
50031333	4	ChEMBL_622572 (CHEMBL1109284)	Inhibition of human recombinant CYP2C19
50031333	5	ChEMBL_622571 (CHEMBL1109283)	Inhibition of human recombinant CYP2C9
50031333	6	ChEMBL_622570 (CHEMBL1109282)	Inhibition of human recombinant CYP1A2
50031334	1	ChEMBL_622615 (CHEMBL1109327)	Inhibition of PTP1B
50034759	2	ChEMBL_155135 (CHEMBL764097)	Inhibition of [3H]PAF receptor binding to washed human platelet membranes determined in vitro
50048336	1	ChEMBL_214393 (CHEMBL819414)	Compound was evaluated for antagonistic activity against vasopressin V1 receptor
50048337	1	ChEMBL_208608 (CHEMBL812285)	Tested for inhibitory activity against Topoisomerase II isolated from HeLa cells by using SDS-K+ precipitation method
50048338	1	ChEMBL_155704 (CHEMBL760583)	Inhibition of guinea pig cardiac ventricle PDE 4
50048338	2	ChEMBL_193660 (CHEMBL800375)	Inhibition of [3H]rolipram binding to rat cortex
50031336	1	ChEMBL_622911 (CHEMBL1116650)	Inhibition of HER2 in human SKBR3 cells by HTRF assay
50031336	2	ChEMBL_622912 (CHEMBL1116651)	Inhibition of HER2 by HTRF assay
50031336	3	ChEMBL_622913 (CHEMBL1116652)	Inhibition of EGFR in human A431 cells by HTRF assay
50031336	4	ChEMBL_622914 (CHEMBL1116653)	Inhibition of EGFR by HTRF assay
50031337	2	ChEMBL_622958 (CHEMBL1112210)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells
50031337	3	ChEMBL_622957 (CHEMBL1112209)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells
50029201	4	ChEMBL_214155 (CHEMBL818834)	Displacement from vitamin D receptor in chick intestine: 50% displacement
50048339	1	ChEMBL_36471 (CHEMBL653124)	Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II receptor
50048341	1	ChEMBL_139929 (CHEMBL872436)	Ability to inhibit [3H]oxotremorine-M (OXO-M) binding in rat cerebral cortex
50048341	2	ChEMBL_139930 (CHEMBL748597)	Ability to inhibit [3H]quinuclidinyl benzilate(QNB) binding in rat cerebral cortex, activity expressed as IC50.
50048342	1	ChEMBL_104753 (CHEMBL712436)	Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radioligand in chick brain membranes
50031337	4	ChEMBL_622963 (CHEMBL1112215)	Displacement of [3H]U69593 from KOP receptor in guinea pig cortical tissue
50031337	6	ChEMBL_622966 (CHEMBL1112218)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50031338	1	ChEMBL_617885 (CHEMBL1101550)	Binding affinity to recombinant Shh N-terminal peptide by surface plasma resonance
50031338	2	ChEMBL_617880 (CHEMBL1101545)	Inhibition of SHH in mouse Shh Light2 cells after 30 hrs by GLI-responsive bright glo luciferase reporter gene assay
50048343	1	ChEMBL_104756 (CHEMBL712439)	Binding affinity towards melatonin receptor was determined using 2-[125I]iodomelatonin as radioligand in chick brain membranes
50031340	1	ChEMBL_617896 (CHEMBL1102299)	Inhibition of aromatase
50031341	1	ChEMBL_618304 (CHEMBL1101168)	Inhibition of rat intestinal maltase
50031341	2	ChEMBL_618305 (CHEMBL1101169)	Inhibition of rat intestinal sucrase
50031342	1	ChEMBL_618319 (CHEMBL1101183)	Inhibition of human dCK
50031342	2	ChEMBL_618320 (CHEMBL1101184)	Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosphorylation
50031344	1	ChEMBL_618630 (CHEMBL1101518)	Inhibition of human deoxycytidine kinase by lysate filter binding assay
50031344	2	ChEMBL_618631 (CHEMBL1101519)	Inhibition of deoxycytidine kinase-mediated arabinoside C-induced cytotoxicity
50031344	3	ChEMBL_618643 (CHEMBL1101692)	Inhibition of deoxycytidine kinase in anti CD3 and anti CD28 -stimulated mouse T cells assessed as reduction in [3H]deoxycitidine incorporation
50031344	4	ChEMBL_618644 (CHEMBL1101693)	Inhibition of deoxycytidine kinase in anti CD3 and anti CD28 -stimulated human T cells assessed as reduction in [3H]deoxycitidine incorporation
50031345	1	ChEMBL_618650 (CHEMBL1101699)	Displacement of [3H]PGE2 from human EP3 receptor
50031345	2	ChEMBL_618676 (CHEMBL1102454)	Binding affinity to human IP receptor by radioligand displacement assay
50031345	3	ChEMBL_618675 (CHEMBL1102453)	Binding affinity to human FP receptor by radioligand displacement assay
50031345	4	ChEMBL_618674 (CHEMBL1101723)	Binding affinity to human EP4 receptor by radioligand displacement assay
50031345	5	ChEMBL_618673 (CHEMBL1101722)	Binding affinity to human EP2 receptor by radioligand displacement assay
50031345	6	ChEMBL_618672 (CHEMBL1101721)	Binding affinity to human EP1 receptor by radioligand displacement assay
50031346	1	ChEMBL_618677 (CHEMBL1102455)	Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay
50031346	2	ChEMBL_618678 (CHEMBL1102456)	Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay
50048344	1	ChEMBL_34965 (CHEMBL647887)	Inhibition of binding of [125I]- Sar,Ileu-angiotensin to Angiotensin II receptor, type 1 in the radioligand binding assay using rat liver membrane preparations
50029266	3	ChEMBL_36345 (CHEMBL651152)	In vitro Angiotensin II receptor antagonist activity in rat adrenal cortex tissue.
50029267	4	ChEMBL_36340 (CHEMBL650167)	Binding affinity expressed as inhibitory concentration against angiotensin II receptor of rat adrenal cortex
50048345	1	ChEMBL_138212 (CHEMBL748441)	Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates
50031348	1	ChEMBL_618689 (CHEMBL1102467)	Inhibition of N-terminal His-tagged mouse recombinant CARM1 expressed in Sf9 cells by microbeta counting
50031348	2	ChEMBL_618696 (CHEMBL1102474)	Inhibition of N-terminal GST-tagged human recombinant PRMT1 expressed in Escherichia coli by microbeta counting
50031348	3	ChEMBL_618697 (CHEMBL1102475)	Inhibition of N-terminal His-tagged human recombinant SET7/9 expressed in Escherichia coli by microbeta counting
50048346	1	ChEMBL_157067 (CHEMBL764849)	Inhibition of cAMP-specific Phosphodiesterase 4 (PDE IV)
50048347	1	ChEMBL_39355 (CHEMBL654961)	Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min
50048347	2	ChEMBL_39352 (CHEMBL654959)	Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min
50048347	3	ChEMBL_39354 (CHEMBL654960)	Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)
50048347	4	ChEMBL_39353 (CHEMBL856082)	Beta-adrenergic agonistic activity in rat proximal colon
50031349	3	ChEMBL_618949 (CHEMBL1099847)	Inhibition of ROCK1
50031349	4	ChEMBL_618950 (CHEMBL1099848)	Inhibition of MRCKalpha
50031349	5	ChEMBL_618951 (CHEMBL1099849)	Inhibition of JNK3
50048348	1	ChEMBL_209380 (CHEMBL857872)	Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin receptor 2 from homogenized rat colon
50048348	2	ChEMBL_209540 (CHEMBL857871)	Tested for inhibition of binding of [3H]senktide to Tachykinin receptor 3 in guinea pig cerebral cortex membranes
50048348	3	ChEMBL_209206 (CHEMBL817333)	Binding affinity against Tachykinin receptor 2 of human expressed in chinese hamster ovary cells
50048349	1	ChEMBL_211326 (CHEMBL818985)	In vitro inhibitory activity against bovine brain tubulin assembly at a concentration of 3-3.5 mg/ml
50031350	1	ChEMBL_618971 (CHEMBL1100041)	Inhibition of p50 after 1 hr by ELISA
50031350	2	ChEMBL_618973 (CHEMBL1100043)	Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA
50031351	1	ChEMBL_619265 (CHEMBL1100432)	Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate
50031351	2	ChEMBL_619264 (CHEMBL1100431)	Inhibition of CYP3A4 using diethoxyfluorescein substrate
50031351	3	ChEMBL_619263 (CHEMBL1100430)	Inhibition of CYP2D6
50031351	4	ChEMBL_619262 (CHEMBL1100429)	Inhibition of CYP2C19
50031351	5	ChEMBL_619261 (CHEMBL1100428)	Inhibition of CYP2C9
50031351	6	ChEMBL_619260 (CHEMBL1100427)	Inhibition of CYP1A2
50031352	1	ChEMBL_619277 (CHEMBL1100657)	Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex
50031352	2	ChEMBL_619278 (CHEMBL1100658)	Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells
50031352	3	ChEMBL_619280 (CHEMBL1100660)	Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2
50031352	4	ChEMBL_619281 (CHEMBL1100661)	Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells
50031352	5	ChEMBL_619282 (CHEMBL1100662)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells
50031353	1	ChEMBL_619307 (CHEMBL1099471)	Inhibition of human FAAH
50031353	2	ChEMBL_619310 (CHEMBL1099474)	Inhibition of human FAAH-mediated hydrolysis of [3H]AEA
50031353	3	ChEMBL_619308 (CHEMBL1099472)	Inhibition of rat FAAH
50031354	1	ChEMBL_619888 (CHEMBL1110278)	Agonist activity at PPARalpha receptor expressed in HEK293 cells co-transfected with GAL4 by transactivation assay
50031354	2	ChEMBL_619891 (CHEMBL1110281)	Agonist activity at PPARdelta receptor expressed in HEK293 cells co-transfected with GAL4 by transactivation assay
50031354	3	ChEMBL_619896 (CHEMBL1110286)	Antagonist activity at PPARdelta co-transfected with GAL4-PPAR fusion protein assessed as inhibition of GW-501516-induced response by luciferase reporter gene assay
50031354	4	ChEMBL_619904 (CHEMBL1110294)	Antagonist activity at PPARalpha co-transfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporter gene assay
50031354	5	ChEMBL_619905 (CHEMBL1110295)	Antagonist activity at PPARgamma co-transfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporter gene assay
50031354	6	ChEMBL_619894 (CHEMBL1110284)	Agonist activity at PPARgamma receptor expressed in HEK293 cells co-transfected with GAL4 by transactivation assay
50031355	1	ChEMBL_619907 (CHEMBL1110297)	Inhibition of human rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay
50031355	2	ChEMBL_619906 (CHEMBL1110296)	Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay
50031355	3	ChEMBL_619910 (CHEMBL1110300)	Inhibition of CYP3A4
50031356	2	ChEMBL_619914 (CHEMBL1110304)	Inhibition of human recombinant ACC1
50031356	3	ChEMBL_619915 (CHEMBL1110305)	Inhibition of human recombinant ACC2
50029286	4	ChEMBL_34956 (CHEMBL647799)	Displacement of [125I]- Ang II from angiotensin II AT1 receptor in rat adrenal cortical microsomes
50034774	2	ChEMBL_44 (CHEMBL615156)	Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)
50029291	5	ChEMBL_225591 (CHEMBL844149)	In vitro thromboxane receptor antagonist activity was determined by inhibition of U-46619 induced aggregation of washed human platelets
50029292	5	ChEMBL_210265 (CHEMBL809289)	In vitro thromboxane receptor antagonist against U-46619 induced aggregation of washed human platelets
50031356	4	ChEMBL_619921 (CHEMBL1113132)	Inhibition of rat ACC1
50031356	5	ChEMBL_619922 (CHEMBL1113133)	Inhibition of rat ACC2
50029295	2	ChEMBL_68475 (CHEMBL682064)	Inhibition of ras Farnesyltransferase
50048350	1	ChEMBL_33881 (CHEMBL643753)	Binding affinity towards human Alpha-1A adrenergic receptor by the displacement of [3H]prazosin
50048350	2	ChEMBL_32313 (CHEMBL646167)	Binding affinity towards human Alpha-1C adrenergic receptor by the displacement of [3H]prazosin
50031358	1	ChEMBL_619927 (CHEMBL1113138)	Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay
50031358	2	ChEMBL_619929 (CHEMBL1113140)	Positive allosteric modulator activity at rat mGluR5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced response
50031358	3	ChEMBL_619932 (CHEMBL1113143)	Inhibition of EGFR autophosphorylation in human A431 cells
50031358	4	ChEMBL_619930 (CHEMBL1113141)	Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5
50031358	5	ChEMBL_619931 (CHEMBL1113142)	Antagonist activity at rat mGluR1 expressed in BHK cells by calcium mobilization assay
50048350	3	ChEMBL_33088 (CHEMBL643580)	Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate
50031359	1	ChEMBL_619937 (CHEMBL1113979)	Inhibition of Tel-fused LYN expressed in mouse BAF3 cells
50031359	2	ChEMBL_619934 (CHEMBL1113976)	Inhibition of HCK
50031359	3	ChEMBL_619935 (CHEMBL1113977)	Inhibition of SRC
50048350	4	ChEMBL_33665 (CHEMBL649246)	Binding affinity towards human Alpha-2C adrenergic receptor by the displacement of [3H]rauwolscine
50048350	5	ChEMBL_33361 (CHEMBL644765)	Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate
50048350	6	ChEMBL_33204 (CHEMBL643229)	Binding affinity towards human Alpha-2A adrenergic receptor by the displacement of [3H]rauwolscine
50048350	7	ChEMBL_33370 (CHEMBL645108)	Binding affinity towards human Alpha-2B adrenergic receptor by the displacement of [3H]rauwolscine
50048350	8	ChEMBL_34607 (CHEMBL645566)	Binding affinity towards human Alpha-1B adrenergic receptor by the displacement of [3H]prazosin
50031359	4	ChEMBL_619936 (CHEMBL1113978)	Inhibition of Tel-fused LCK expressed in mouse BAF3 cells
50048350	9	ChEMBL_33655 (CHEMBL649236)	Agonistic activity towards human Alpha-2C adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine monophosphate
50029314	4	ChEMBL_201052 (CHEMBL803829)	Binding affinity towards 5-HT2 receptor using [3H]ketanserin as radioligand
50031359	7	ChEMBL_619939 (CHEMBL1113981)	Inhibition of Tel-fused KDR expressed in mouse BAF3 cells
50034776	2	ChEMBL_62470 (CHEMBL679107)	Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes
50029323	4	ChEMBL_2222 (CHEMBL872912)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor
50029325	4	ChEMBL_42915 (CHEMBL654396)	Binding of [3H]nitrendipine to calcium channel in rat heart membranes was determined
50048351	1	ChEMBL_3392 (CHEMBL619422)	Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortex
50048352	1	ChEMBL_162401 (CHEMBL769348)	Inhibition of protein kinase C
50048353	1	ChEMBL_201188 (CHEMBL857027)	Agonist activity against 5-HT4 receptor in rat esophageal muscularis mucosae
50031360	1	ChEMBL_619965 (CHEMBL1114007)	Inhibition of PKCtheta
50031360	2	ChEMBL_619964 (CHEMBL1114006)	Inhibition of PKCdelta
50031360	3	ChEMBL_619962 (CHEMBL1114004)	Inhibition of PKCepsilon
50031360	5	ChEMBL_619960 (CHEMBL1114002)	Inhibition of PKCbeta
50031360	6	ChEMBL_619959 (CHEMBL1114001)	Inhibition of PKCzeta
50031360	7	ChEMBL_619957 (CHEMBL1113999)	Inhibition of HCK
50031360	8	ChEMBL_619956 (CHEMBL1113998)	Inhibition of LYN A
50031360	9	ChEMBL_619955 (CHEMBL1113997)	Inhibition of SRC
50031360	10	ChEMBL_619954 (CHEMBL1113996)	Inhibition of FYN
50031360	11	ChEMBL_619953 (CHEMBL1113995)	Inhibition of GCK
50031360	15	ChEMBL_619948 (CHEMBL1113990)	Inhibition of ROCK1
50031360	17	ChEMBL_619946 (CHEMBL1113988)	Inhibition of MK2
50031360	18	ChEMBL_619945 (CHEMBL1113987)	Inhibition of P38alpha
50031360	19	ChEMBL_619944 (CHEMBL1113986)	Inhibition of ERK2
50031360	21	ChEMBL_619967 (CHEMBL1114009)	Inhibition of RSk1
50031360	22	ChEMBL_619968 (CHEMBL1114010)	Inhibition of PDGFRalpha
50031361	2	ChEMBL_620201 (CHEMBL1115836)	Inhibition of Tie-2
50031361	3	ChEMBL_620199 (CHEMBL1115834)	Inhibition of KDR
50031361	4	ChEMBL_620200 (CHEMBL1115835)	Inhibition of FLt
50031362	1	ChEMBL_620206 (CHEMBL1115841)	Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation
50031362	2	ChEMBL_620210 (CHEMBL1115845)	Inhibition of ABL1
50031362	5	ChEMBL_620213 (CHEMBL1115848)	Inhibition of CDK2
50031362	7	ChEMBL_620215 (CHEMBL1115850)	Inhibition of CK1gamma1
50031362	8	ChEMBL_620216 (CHEMBL1115851)	Inhibition of ERK2
50031362	9	ChEMBL_620217 (CHEMBL1115852)	Inhibition of FYN
50031362	10	ChEMBL_620218 (CHEMBL1115853)	Inhibition of GCK
50031362	11	ChEMBL_620219 (CHEMBL1115854)	Inhibition of HCK
50031362	13	ChEMBL_620221 (CHEMBL1115856)	Inhibition of IKK-beta
50031362	14	ChEMBL_620222 (CHEMBL1115857)	Inhibition of LYN
50031362	15	ChEMBL_620223 (CHEMBL1115858)	Inhibition of Met
50031362	16	ChEMBL_620224 (CHEMBL1115859)	Inhibition of MK2
50031362	17	ChEMBL_620225 (CHEMBL1115860)	Inhibition of PDGFRalpha
50031362	19	ChEMBL_620228 (CHEMBL1115863)	Inhibition of PKCbeta
50031362	20	ChEMBL_620229 (CHEMBL1115864)	Inhibition of ROCK1
50031362	21	ChEMBL_620230 (CHEMBL1115865)	Inhibition of RSk1
50031362	22	ChEMBL_620231 (CHEMBL1115866)	Inhibition of SRC
50031362	23	ChEMBL_620233 (CHEMBL1116671)	Inhibition of p38alpha
50031363	1	ChEMBL_620260 (CHEMBL1105045)	Inhibition of human AChE in erythrocyte
50031363	2	ChEMBL_620258 (CHEMBL1116696)	Inhibition of AChE in bovine erythrocyte by Ellman method
50031363	3	ChEMBL_620259 (CHEMBL1105044)	Inhibition of BuChE in horse serum by Ellman method
50031363	4	ChEMBL_620261 (CHEMBL1105046)	Inhibition of human BuChE in serum
50034780	5	ChEMBL_35587 (CHEMBL648285)	In vitro inhibition against angiotensin converting enzyme (ACE)
50034781	3	ChEMBL_35588 (CHEMBL876577)	In vitro inhibitory concentration against angiotensin-converting enzyme
50031366	1	ChEMBL_620603 (CHEMBL1112064)	Displacement of [125I]pig PPY from human NPY1 receptor expressed in CHOK1 cells by scintillation counting
50031366	2	ChEMBL_620604 (CHEMBL1112065)	Displacement of [125I]pig PPY from human NPY2 receptor expressed in CHOK1 cells by scintillation counting
50031366	3	ChEMBL_620605 (CHEMBL1114813)	Displacement of [125I]human PP from human NPY4 receptor expressed in CHOK1 cells by scintillation counting
50031366	4	ChEMBL_620606 (CHEMBL1114814)	Displacement of [125I]pig PPY from human NPY5 receptor expressed in CHOK1 cells by scintillation counting
50031367	1	ChEMBL_620609 (CHEMBL1114817)	Inhibition of human recombinant B-Raf expressed in Sf9 cells
50031367	2	ChEMBL_620627 (CHEMBL1114835)	Inhibition of cRAF
50031367	3	ChEMBL_620612 (CHEMBL1114820)	Inhibition of p38alpha
50031367	4	ChEMBL_620614 (CHEMBL1114822)	Inhibition of CDK2
50031367	5	ChEMBL_620615 (CHEMBL1114823)	Inhibition of CDK4
50031367	7	ChEMBL_620617 (CHEMBL1114825)	Inhibition of IKK-beta
50031367	8	ChEMBL_620618 (CHEMBL1114826)	Inhibition of JNK1
50031367	9	ChEMBL_620619 (CHEMBL1114827)	Inhibition of MK2
50031367	10	ChEMBL_620621 (CHEMBL1114829)	Inhibition of SRC
50031367	11	ChEMBL_620622 (CHEMBL1114830)	Inhibition of MKK6
50031367	12	ChEMBL_620623 (CHEMBL1114831)	Inhibition of PLK1
50031367	13	ChEMBL_620624 (CHEMBL1114832)	Inhibition of p70S6K
50031367	14	ChEMBL_620625 (CHEMBL1114833)	Inhibition of PI3Kalpha
50031367	15	ChEMBL_620626 (CHEMBL1114834)	Inhibition of PDK1
50031368	3	ChEMBL_620931 (CHEMBL1117576)	Inhibition of FAAH-mediated hydrolysis of [3H]AEA in rat brain membrane
50029357	2	ChEMBL_159463 (CHEMBL769250)	Inhibitory activity against HIV-1 Protease was determined
50029360	9	ChEMBL_36764 (CHEMBL651094)	Inhibitory concentration against AT1 receptor from rat adrenal tissues
50029365	5	ChEMBL_139922 (CHEMBL748590)	In vitro binding affinity towards muscarinic receptor in urinary bladder was determined
50048354	1	ChEMBL_221025 (CHEMBL822642)	Inhibition of protein kinase C (PKC) using histone III S protein
50048354	3	ChEMBL_221023 (CHEMBL822640)	Inhibition of c-AMP dependent kinase (PKA) using histone II A protein
50048355	1	ChEBML_33324	Binding affinity towards Alpha-2 adrenergic receptor of HT-29 cells
50048355	2	ChEBML_33322	Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells
50048355	3	ChEBML_33243	Binding affinity towards Alpha-1 adrenergic receptor in human brain
50048355	4	ChEBML_33244	Binding affinity towards Alpha-1 adrenergic receptor of human brain
50031369	1	ChEMBL_620938 (CHEMBL1117583)	Antagonist activity at rat mGluR5 expressed in human HEK293A cells assessed as inhibition of glutamate-induced calcium flux
50031369	2	ChEMBL_620941 (CHEMBL1117586)	Antagonist activity at mGluR5
50031369	3	ChEMBL_620940 (CHEMBL1117585)	Displacement of [3H]3-methoxy-5-(2-pyridinylethynyl) pyridine from mGluR5
50031371	6	ChEMBL_621352 (CHEMBL1109445)	Inhibition of ZAp70 after 1 hr
50031371	9	ChEMBL_621349 (CHEMBL1109442)	Inhibition of VEGFR1 after 1 hr
50031371	11	ChEMBL_621347 (CHEMBL1109440)	Inhibition of Src after 1 hr
50031371	12	ChEMBL_621346 (CHEMBL1109439)	Inhibition of Syk after 1 hr
50031371	13	ChEMBL_621345 (CHEMBL1109438)	Inhibition of PKCtheta after 1 hr
50031371	14	ChEMBL_621344 (CHEMBL1109437)	Inhibition of PKCbeta2 after 1 hr
50031371	16	ChEMBL_621341 (CHEMBL1109434)	Inhibition of PDGFRbeta after 1 hr
50031371	17	ChEMBL_621340 (CHEMBL1109433)	Inhibition of Lyn after 1 hr
50031371	18	ChEMBL_621339 (CHEMBL1109432)	Inhibition of LCK after 1 hr
50031371	19	ChEMBL_621337 (CHEMBL1109430)	Inhibition of GSK3-beta after 1 hr
50031371	20	ChEMBL_621336 (CHEMBL1109429)	Inhibition of Fyn after 1 hr
50031371	21	ChEMBL_621335 (CHEMBL1109428)	Inhibition of Flt3 after 1 hr
50031371	22	ChEMBL_621334 (CHEMBL1109427)	Inhibition of FGFR4 after 1 hr
50031371	23	ChEMBL_621333 (CHEMBL1109426)	Inhibition of EPHA2 after 1 hr
50031371	24	ChEMBL_621332 (CHEMBL1109425)	Inhibition of EGFR after 1 hr
50031371	25	ChEMBL_621331 (CHEMBL1109424)	Inhibition of CDK5 after 1 hr
50031371	26	ChEMBL_621330 (CHEMBL1109423)	Inhibition of Btk after 1 hr
50031371	27	ChEMBL_621329 (CHEMBL1109422)	Inhibition of Blk after 1 hr
50031371	28	ChEMBL_621328 (CHEMBL1109421)	Inhibition of Akt after 1 hr
50031371	29	ChEMBL_621327 (CHEMBL1109420)	Inhibition of Abl1 after 1 hr
50029368	4	ChEMBL_40188 (CHEMBL652235)	Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig.
50048357	1	ChEMBL_98628 (CHEMBL711829)	Inhibition of leukotriene B4 (LTB4) binding to its receptor on intact human neutrophils
50029391	2	ChEMBL_79954 (CHEMBL687725)	Inhibitory concentration against HIV-1 protease
50042154	2	ChEMBL_201063 (CHEMBL805839)	Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane
50034787	6	ChEMBL_92409 (CHEMBL701403)	Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.
50048358	1	ChEMBL_34961 (CHEMBL647803)	In vitro binding affinity to angiotensin II receptor, type 1 in rat adrenal cortex preparation
50031372	2	ChEMBL_621651 (CHEMBL1115722)	Inhibition of human CDK5/p25
50048359	1	ChEMBL_99497 (CHEMBL705027)	Negative logarithm of affinity for leukotriene B4 (LTB4) receptor on guinea pig lung membranes
50029400	2	ChEMBL_99648 (CHEMBL709306)	Inhibitory activity against leukotriene B4 receptor
50031373	1	ChEMBL_621700 (CHEMBL1104942)	Inhibition of prolyl oligopeptidase in human LN229 cell extracts assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50031373	2	ChEMBL_621702 (CHEMBL1104944)	Inhibition of prolyl oligopeptidase in human LNZ308 cell extracts assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50031373	3	ChEMBL_621704 (CHEMBL1104946)	Inhibition of prolyl oligopeptidase in human HCEC cell extracts assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50031373	4	ChEMBL_621703 (CHEMBL1104945)	Inhibition of prolyl oligopeptidase in intact human HCEC cells assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50031373	5	ChEMBL_621699 (CHEMBL1104941)	Inhibition of prolyl oligopeptidase in intact human LN229 cells assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50031373	6	ChEMBL_621701 (CHEMBL1104943)	Inhibition of prolyl oligopeptidase in intact human LNZ308 cells assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay
50029411	7	ChEMBL_158224 (CHEMBL764241)	Inhibitory activity against porcine pancreatic elastase using Suc-Ala-Ala-Ala-pNA (416 uM) as substrate
50029413	4	ChEMBL_36343 (CHEMBL651150)	Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue
50031374	1	ChEMBL_621991 (CHEMBL1106782)	Inhibition of Mycobacterium tuberculosis PtpA
50031374	2	ChEMBL_621992 (CHEMBL1106783)	Inhibition of human PtpB
50031374	3	ChEMBL_621993 (CHEMBL1106784)	Inhibition of human PTP1B
50031374	4	ChEMBL_621994 (CHEMBL1106785)	Inhibition of human TCPTP
50031374	5	ChEMBL_621995 (CHEMBL1106786)	Inhibition of human VHR
50031374	6	ChEMBL_621996 (CHEMBL1106787)	Inhibition of human CD45
50031374	7	ChEMBL_621997 (CHEMBL1106788)	Inhibition of human LAR
50031374	8	ChEMBL_621998 (CHEMBL1106789)	Inhibition of human HCPTPA
50031375	1	ChEMBL_622013 (CHEMBL1107674)	Inhibition of human CYP1A2
50031375	2	ChEMBL_622014 (CHEMBL1107675)	Inhibition of human CYP2C9
50031375	3	ChEMBL_622015 (CHEMBL1107676)	Inhibition of human CYP2C19
50031375	4	ChEMBL_622016 (CHEMBL1107677)	Inhibition of human CYP2D6
50031375	5	ChEMBL_622017 (CHEMBL1107678)	Inhibition of human CYP3A4
50031375	6	ChEMBL_622012 (CHEMBL1107673)	Inhibition of human ERG by patch clamp electrophysiology assay
50031376	1	ChEMBL_622359 (CHEMBL1114167)	Inhibition of c-Kit by HTRF method
50048360	1	ChEMBL_36344 (CHEMBL651151)	Concentration required for 50% inhibition of binding against Angiotensin II receptor in the rat adrenal cortex tissue
50029424	9	ChEMBL_216636 (CHEMBL821040)	Rate constant against Alpha-chymotrypsin from time dependent inhibition and reactivation data
50029424	11	ChEMBL_216634 (CHEMBL821038)	Rate constant against alpha-chymotrypsin
50029424	13	ChEMBL_216622 (CHEMBL819194)	Inhibition constant against alpha-chymotrypsin
50029452	3	ChEMBL_36644 (CHEMBL652354)	Binding affinity against AT1 receptor in rat adrenal tissue
50029455	16	ChEMBL_2212 (CHEMBL617037)	Inhibitory concentration against 5-hydroxytryptamine 2 receptor
50029455	17	ChEMBL_39019 (CHEMBL652672)	Inhibitory concentration against Beta adrenergic receptor
50029455	19	ChEMBL_138341 (CHEMBL747771)	Inhibitory concentration against muscarinic receptor
50029455	18	ChEMBL_33417 (CHEMBL648813)	Inhibitory concentration against Alpha-1 adrenergic receptor
50029455	15	ChEMBL_32906 (CHEMBL872334)	Inhibitory concentration against Alpha-2 adrenergic receptor
50031377	3	ChEMBL_622649 (CHEMBL1104960)	Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA
50031378	1	ChEMBL_619036 (CHEMBL1102078)	Binding affinity to ubiquitin E2 variant domain of human Tsg101 by fluorescent anisotropy
50029476	2	ChEBML_98639	Inhibition of [3H]LTD4 binding on guinea-pig lung membranes
50031380	1	ChEMBL_619726 (CHEMBL1111190)	Inhibition of human recombinant MAOA
50031380	2	ChEMBL_619728 (CHEMBL1111192)	Inhibition of human recombinant MAOB
50031381	1	ChEMBL_620646 (CHEMBL1114854)	Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells co-transfected with Gal4-DBD by luciferase transactivation assay
50031381	2	ChEMBL_620647 (CHEMBL1114855)	Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells co-transfected with Gal4-DBD by luciferase transactivation assay
50031381	3	ChEMBL_620648 (CHEMBL1114856)	Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells co-transfected with Gal4-DBD by luciferase transactivation assay
50031381	4	ChEMBL_620660 (CHEMBL1115681)	Agonist activity at mouse PPARdelta by FRET assay
50031381	5	ChEMBL_620652 (CHEMBL1115673)	Agonist activity at human PPARdelta ligand binding domain by FRET assay
50031382	1	ChEMBL_619339 (CHEMBL1099503)	Inhibition of Albino rat eye lens ALR2 assessed as NADPH oxidation by spectrophotometry
50031383	1	ChEMBL_619387 (CHEMBL1104145)	Inhibition of rat recombinant nNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay
50031383	2	ChEMBL_620297 (CHEMBL1105082)	Inhibition of nNOS in HEK293T cells assessed as nitrite formation
50031383	3	ChEMBL_619388 (CHEMBL1104146)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay
50031383	4	ChEMBL_619389 (CHEMBL1104147)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay
50031384	1	ChEMBL_620339 (CHEMBL1108594)	Inhibition of "N-terminal GST-tagged human B-Raf assessed as luminescence activity after 2 hrs
50031384	2	ChEMBL_620338 (CHEMBL1108593)	Inhibition of recombinant MBP tagged CDC25B assessed as substrate 3-O-methylfluorescein fluorescent emission after 4 hrs
50031384	3	ChEMBL_620346 (CHEMBL1108601)	Inhibition of Akt1
50031385	2	ChEMBL_620349 (CHEMBL1108604)	Inhibition of CDK5
50029477	5	ChEMBL_205494 (CHEMBL810214)	Inhibition of human recombinant matrix metalloprotease-3 (Stromelysin) at 10 uM
50029482	5	ChEMBL_146693 (CHEMBL753770)	Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO expressed as Kd
50018115	12	ChEMBL_2264670	Inhibition of human CDK2/Cyclin A in presence of gamma32P-ATP by scintillation counter analysis
50031386	3	ChEMBL_617532 (CHEMBL1099882)	Inhibition of lactase by HPLC
50031386	4	ChEMBL_617534 (CHEMBL1099884)	Inhibition of GBA2 by HPLC
50031386	5	ChEMBL_617535 (CHEMBL1099885)	Inhibition of lysosomal alpha-glucosidase by HPLC
50031386	6	ChEMBL_617536 (CHEMBL1099886)	Inhibition of glycogen glycogen de-branching enzyme by HPLC
50048362	5	ChEMBL_33250 (CHEMBL643530)	Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane
50018115	13	ChEMBL_2264671	Inhibition of human CDK4/Cyclin D1 assessed as substrate phosphorylation at ser780 using GST tagged retinoblastoma as substrate in presence of gamma32P-ATP by scintillation counter analysis
50031386	7	ChEMBL_617531 (CHEMBL1099881)	Inhibition of maltase by HPLC
50031387	1	ChEMBL_614314 (CHEMBL1107881)	Inhibition of pig pancreatic elastase preincubated for 15 mins by spectrophotometry
50031387	2	ChEMBL_614315 (CHEMBL1107882)	Inhibition of bovine pancreas alpha-chymotrypsin preincubated for 10 mins by spectrophotometry
50031388	1	ChEMBL_614595 (CHEMBL1112412)	Inhibition of thrombin after 20 mins
50031389	1	ChEMBL_615076 (CHEMBL1105192)	Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry
50031390	1	ChEMBL_615079 (CHEMBL1105195)	Inhibition of human carbonic anhydrase 2 assessed as conversion of 4-nitrophenyl acetate to 4-nitrophnolate after 5 mins
50018115	14	ChEMBL_2264672	Inhibition of human CDK6/Cyclin D3 in presence of gamma32P-ATP by scintillation counter analysis
50031391	2	ChEMBL_615091 (CHEMBL1106032)	Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assay
50048362	1	ChEBML_33311	Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation
50018115	15	ChEMBL_2264673	Inhibition of CDK8 (unknown origin)
50048362	6	ChEMBL_33311 (CHEMBL645607)	Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation
50031392	1	ChEMBL_615093 (CHEMBL1106034)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting
50031392	2	ChEMBL_615094 (CHEMBL1106035)	Displacement of [3H]iodo-MLA from alpha7 nAChR in rat cerebral cortex after 2 hrs by scintillation counting
50048362	3	ChEBML_33250	Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane
50048361	1	ChEMBL_153662 (CHEMBL757854)	Binding affinity towards Penicillin-binding protein 2a from homogeneous MRSA COL strain using [3H]-radioligand
50031393	2	ChEMBL_615344 (CHEMBL1103281)	Inhibition of EGFR
50031394	1	ChEMBL_615551 (CHEMBL1107820)	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting
50031394	2	ChEMBL_615552 (CHEMBL1107821)	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting
50031394	3	ChEMBL_615553 (CHEMBL1107822)	Antagonist activity at human cannabinoid CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP-55940-induced Ca2+ release after 10 mins by micro plate reader
50031394	4	ChEMBL_615554 (CHEMBL1108616)	Inverse agonist activity at human cannabinoid CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 60 mins
50031395	1	ChEMBL_615602 (CHEMBL1103327)	Inhibition of SYK
50031395	2	ChEMBL_615601 (CHEMBL1103326)	Inhibition of MLK1
50031395	3	ChEMBL_615600 (CHEMBL1103325)	Inhibition of Aurora A kinase
50031395	4	ChEMBL_615566 (CHEMBL1108628)	Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay
50031395	5	ChEMBL_615565 (CHEMBL1108627)	Inhibition of recombinant PI3Kdelta assessed as PIP3 product formation by fluorescence polarization assay
50031395	6	ChEMBL_615564 (CHEMBL1108626)	Inhibition of recombinant PI3Kbeta assessed as PIP3 product formation by fluorescence polarization assay
50031395	7	ChEMBL_615563 (CHEMBL1108625)	Inhibition of recombinant PI3Kalpha assessed as PIP3 product formation by fluorescence polarization assay
50031395	8	ChEMBL_615597 (CHEMBL1103322)	Inhibition of human recombinant mTOR by FRET
50031396	1	ChEMBL_616017 (CHEMBL1101061)	Inhibition of HDAC6 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50031396	2	ChEMBL_616012 (CHEMBL1101056)	Inhibition of HDAC1 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50031396	3	ChEMBL_616014 (CHEMBL1101058)	Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50031396	4	ChEMBL_616016 (CHEMBL1101060)	Inhibition of HDAC10 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50031396	5	ChEMBL_616013 (CHEMBL1101057)	Inhibition of HDAC2 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50031396	6	ChEMBL_616015 (CHEMBL1101059)	Inhibition of HDAC8 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs
50034797	5	ChEMBL_47605 (CHEMBL659816)	Compound was tested for its inhibitory activity against cathepsin B
50018115	16	ChEMBL_2264674	Inhibition of CDK9/cyclin T1 (unknown origin)
50029487	4	ChEMBL_47630 (CHEMBL659839)	Kinetic parameter (Ki 1/min) was evaluated for the inactivation of cathepsin B
50029487	3	ChEMBL_152659 (CHEMBL761585)	Kinetic parameter (Ki 1/min) was evaluated for the inactivation of papain
50029496	6	ChEMBL_160645 (CHEMBL769333)	Inhibition of Human Protein kinase C delta
50029497	2	ChEMBL_79474 (CHEMBL691404)	Compound was tested for the inhibition activity against HIV-1 protease
50048364	6	ChEMBL_157050 (CHEMBL765693)	Inhibition of Phosphodiesterase 4
50048364	5	ChEMBL_157202 (CHEMBL767096)	Inhibition of [3H]rolipram binding to Phosphodiesterase 4 (PDE IV)
50048364	3	ChEBML_156488	Inhibition of Phosphodiesterase 3 (PDE III) at 100 uM
50048364	1	ChEBML_157050	Inhibition of Phosphodiesterase 4
50048364	4	ChEBML_157049	Inhibition of Phosphodiesterase 4
50048365	3	ChEMBL_157201 (CHEMBL871977)	Displacement of [3H]-Rolipram from mouse brain homogenates
50031399	1	ChEMBL_617801 (CHEMBL1100507)	Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay
50031400	1	ChEMBL_617819 (CHEMBL1100525)	Inhibition of tissue-type plasminogen activator
50031400	2	ChEMBL_617820 (CHEMBL1100526)	Inhibition of human factor 10a
50031400	3	ChEMBL_617822 (CHEMBL1100528)	Inhibition of factor 7a
50031400	4	ChEMBL_617823 (CHEMBL1100529)	Inhibition of urokinase
50031400	5	ChEMBL_617825 (CHEMBL1100531)	Inhibition of cathepsin G
50031400	6	ChEMBL_617826 (CHEMBL1100532)	Inhibition of human leukocyte elastase
50031400	7	ChEMBL_617828 (CHEMBL1100534)	Inhibition of chymase
50031400	8	ChEMBL_617829 (CHEMBL1100535)	Inhibition of plasmin
50031400	9	ChEMBL_617811 (CHEMBL1100517)	Inhibition of human alpha-thrombin
50031401	1	ChEMBL_614707 (CHEMBL1113392)	Inhibition of human PTP4A1 by enzyme assay
50031401	2	ChEMBL_614708 (CHEMBL1113393)	Inhibition of human PTP4A2 by enzyme assay
50031401	3	ChEMBL_614709 (CHEMBL1113394)	Inhibition of human PTP4A3 by enzyme assay
50031401	4	ChEMBL_614880 (CHEMBL1115043)	Inhibition of human cathepsin S by enzyme assay
50031401	5	ChEMBL_614705 (CHEMBL1113390)	Inhibition of human CYP2D6 by enzyme assay
50031401	6	ChEMBL_614704 (CHEMBL1113389)	Inhibition of human cathepsin E by enzyme assay
50031401	7	ChEMBL_614703 (CHEMBL1113388)	Inhibition of human cathepsin D by enzyme assay
50031402	1	ChEMBL_615118 (CHEMBL1116885)	Inhibition of human PDE9A expressed in Escherichia coli BL21 by liquid scintillation counting
50031403	1	ChEMBL_615170 (CHEMBL1106955)	Inhibition of GRK1-mediated bovine tubulin phosphorylation by scintillation counting
50031403	2	ChEMBL_615171 (CHEMBL1106956)	Inhibition of GRK2-mediated bovine tubulin phosphorylation by scintillation counting
50031403	3	ChEMBL_615172 (CHEMBL1106957)	Inhibition of GRK3-mediated bovine tubulin phosphorylation by scintillation counting
50031403	4	ChEMBL_615173 (CHEMBL1106958)	Inhibition of GRK4-mediated bovine tubulin phosphorylation by scintillation counting
50031403	5	ChEMBL_615174 (CHEMBL1106959)	Inhibition of GRK5-mediated bovine tubulin phosphorylation by scintillation counting
50031403	6	ChEMBL_615175 (CHEMBL1106960)	Inhibition of GRK6-mediated bovine tubulin phosphorylation by scintillation counting
50031403	7	ChEMBL_615176 (CHEMBL1106961)	Inhibition of GRK7-mediated bovine tubulin phosphorylation by scintillation counting
50031404	1	ChEMBL_615362 (CHEMBL1103299)	Inhibition of ovine COX1
50031404	2	ChEMBL_615363 (CHEMBL1103300)	Inhibition of mouse COX2
50031405	1	ChEMBL_615424 (CHEMBL1105109)	Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA addition measured after 60 mins by HPLC based scintillation assay
50031405	2	ChEMBL_615425 (CHEMBL1106892)	Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addition measured after 4 hrs by HPLC based scintillation assay
50031405	3	ChEMBL_615426 (CHEMBL1106893)	Inhibition of delta5 desaturase in human HepG2 cells assessed as [14C]eicosatrienoic acid to [14C]arachidonic acid conversion pretreated 15 mins before [14C]eicosatrienoic acid addition measured after 4 hrs by HPLC based scintillation assay
50031405	4	ChEMBL_615427 (CHEMBL1106894)	Inhibition of delta6 desaturase in human HepG2 cells assessed as [14C]linolenic acid to [14C]eicosatetraenoic acid conversion pretreated 15 mins before [14C]linolenic acid addition measured after 4 hrs by HPLC based scintillation assay
50031406	1	ChEMBL_615620 (CHEMBL1104194)	Inhibition of CETP assessed as cholesterol ester transfer after 4 hrs by microemulsion based fluorescence assay
50031406	2	ChEMBL_615621 (CHEMBL1104195)	Inhibition of human plasma CETP assessed as cholesterol ester transfer after 24 hrs by fluorescence assay
50031406	3	ChEMBL_615619 (CHEMBL1104193)	Inhibition of human plasma CETP assessed as [3H]cholesterol ester transfer after 18 hrs by scintillation proximity assay
50031407	1	ChEMBL_615642 (CHEMBL1104216)	Inhibition of human CSF1R autophosphorylation expressed in HEK293 cells after 1 hr by ELISA
50031408	1	ChEMBL_615646 (CHEMBL1104220)	Inhibition of CDK2
50031408	2	ChEMBL_615644 (CHEMBL1104218)	Inhibition of AKT1 after 10 mins by [gamma33]ATP assay
50031408	3	ChEMBL_615649 (CHEMBL1104223)	Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA
50031408	4	ChEMBL_615650 (CHEMBL1104224)	Inhibition of human AKT1 in human MDA-MB-468 cells assessed as phosphorylation-mediated nuclear translocation of GFP-tagged FKHRL1 by fluorescence microscopy
50031408	5	ChEMBL_615665 (CHEMBL1106010)	Inhibition of SGK1
50031409	1	ChEMBL_615846 (CHEMBL1101956)	Inhibition of muscarinic M3 receptor
50031409	2	ChEMBL_615847 (CHEMBL1101957)	Inhibition of NET
50031409	3	ChEMBL_615848 (CHEMBL1101958)	Inhibition of histamine H2 receptor
50031409	4	ChEMBL_615667 (CHEMBL1106012)	Antagonist activity at human GHSR expressed in CHOK1 cells assessed as inhibition of ghrelin-induced intracellular calcium flux by aequorin flash luminescence assay
50031409	5	ChEMBL_615841 (CHEMBL1101951)	Inhibition of dopamine D2 receptor
50031409	6	ChEMBL_615842 (CHEMBL1101952)	Inhibition of dopamine D3 receptor
50031409	7	ChEMBL_615835 (CHEMBL1101945)	Inhibition of human ERG
50031409	8	ChEMBL_615674 (CHEMBL1106019)	Inhibition of rat GHSR expressed in CHOK1 cells assessed as inhibition of ghrelin-induced intracellular calcium flux by aequorin flash luminescence assay
50031409	9	ChEMBL_615837 (CHEMBL1101947)	Inhibition of 5HT2A (receptor)
50031409	10	ChEMBL_615838 (CHEMBL1101948)	Inhibition of 5HT2C (receptor)
50031409	11	ChEMBL_615839 (CHEMBL1101949)	Inhibition of SERT
50031409	12	ChEMBL_615840 (CHEMBL1101950)	Inhibition of alpha2A adrenergic receptor
50031409	13	ChEMBL_615843 (CHEMBL1101953)	Inhibition of DAT
50031409	14	ChEMBL_615844 (CHEMBL1101954)	Inhibition of mu opioid receptor
50031409	15	ChEMBL_615845 (CHEMBL1101955)	Inhibition of kappa opioid receptor
50031410	1	ChEMBL_615849 (CHEMBL1101959)	Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method
50048365	4	ChEMBL_157033 (CHEMBL765676)	Inhibition of Phosphodiesterase 4 (PDE IV) from lung tissue
50048365	2	ChEBML_157033	Inhibition of Phosphodiesterase 4 (PDE IV) from lung tissue
50029512	15	ChEMBL_161467 (CHEMBL770270)	Inhibition of Protein kinase C zeta
50029521	3	ChEMBL_161410 (CHEMBL768402)	Inhibition of rat brain PKC
50048366	1	ChEBML_33511	Compound was evaluated for binding affinity against Alpha-2B adrenergic receptor using radioligand binding assay
50048366	2	ChEBML_139976	Compound was evaluated for binding affinity against Muscarinic M1 receptor using radioligand binding assay
50048366	3	ChEBML_3296	Compound was evaluated for binding affinity against 5-hydroxytryptamine 4 receptor using radioligand binding assay using [3H]GR as radioligand
50048366	4	ChEBML_32314	Compound was evaluated for binding affinity against Alpha-1C adrenergic receptor using radioligand binding assay
50048366	5	ChEBML_35270	Compound was evaluated for binding affinity against Angiotensin II receptor, type 1 using radioligand binding assay
50048366	6	ChEBML_32302	Compound was evaluated for binding affinity against Alpha-1B adrenergic receptor using radioligand binding assay
50048366	7	ChEBML_3061	Compound was evaluated for binding affinity against 5-hydroxytryptamine 2C receptor using radioligand binding assay
50048366	8	ChEBML_138258	Compound was evaluated for binding affinity against Muscarinic M3 receptor using radioligand binding assay
50048366	9	ChEBML_58631	Compound was evaluated for binding affinity against Dopamine D2 receptor using radioligand binding assay
50048366	10	ChEBML_140123	Compound was evaluated for binding affinity against Muscarinic M2 receptor using radioligand binding assay
50048366	11	ChEBML_1580	Compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor using radioligand binding assay
50048366	12	ChEBML_2476	Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using radioligand binding assay
50048366	13	ChEBML_35425	Compound was evaluated for binding affinity against Angiotensin II receptor, type 2 using radioligand binding assay
50048366	14	ChEBML_58314	Compound was evaluated for binding affinity against Dopamine D1 receptor using radioligand binding assay
50048366	15	ChEBML_33229	Compound was evaluated for binding affinity against Alpha-2A adrenergic receptor using radioligand binding assay
50010336	22	ChEBML_1970491	Inhibition of recombinant full length human His-tagged GSK3beta expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	23	ChEBML_1970490	Inhibition of recombinant full length human His-tagged RSK2 expressed in baculovirus expression system using serine/threonine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	24	ChEBML_1970489	Inhibition of recombinant full length human GST-tagged KHS1 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50048363	16	ChEMBL_138257 (CHEMBL743974)	Binding affinity against Muscarinic M3 receptor
50048363	10	ChEMBL_58630 (CHEMBL857790)	Binding affinity against Dopamine D2 receptor
50048363	3	ChEMBL_37674 (CHEMBL651266)	Binding affinity against Beta-1 adrenergic receptor
50048363	6	ChEMBL_1579 (CHEMBL616990)	Binding affinity against 5-hydroxytryptamine 1A receptor
50048363	11	ChEMBL_3389 (CHEMBL619419)	Binding affinity against 5-Hydroxytryptamine 3 receptor
50048363	19	ChEMBL_32306 (CHEMBL646252)	Binding affinity against Adrenogenic Alpha-1B receptor
50048363	9	ChEMBL_58312 (CHEMBL672706)	Binding affinity against Dopamine D1 receptor
50048363	21	ChEMBL_1989 (CHEMBL617592)	Binding affinity against 5-Hydroxytryptamine 1D receptor
50048363	14	ChEMBL_2475 (CHEMBL617362)	Binding affinity against 5-Hydroxytryptamine 2A receptor
50048363	4	ChEMBL_34183 (CHEMBL649043)	Binding affinity against Alpha-1A adrenergic receptor
50048363	12	ChEMBL_33231 (CHEMBL645791)	Binding affinity against Alpha-2A adrenergic receptor
50048363	5	ChEMBL_33513 (CHEMBL648606)	Binding affinity against Alpha-2B adrenergic receptor
50048363	8	ChEMBL_140122 (CHEMBL748365)	Binding affinity against Muscarinic M2 receptor
50048363	18	ChEMBL_38624 (CHEMBL650890)	Binding affinity against Beta-2 adrenergic receptor
50048363	15	ChEMBL_58313 (CHEMBL672707)	Binding affinity against Dopamine D1 receptor
50048363	20	ChEMBL_139263 (CHEMBL745071)	Binding affinity against Muscarinic acetylcholine receptor M4
50048363	7	ChEMBL_3559 (CHEMBL620694)	Binding affinity against 5-hydroxytryptamine 4 receptor
50048363	1	ChEMBL_3060 (CHEMBL621383)	Binding affinity against 5-hydroxytryptamine 2C receptor
50031412	1	ChEMBL_615859 (CHEMBL1101969)	Binding affinity to human CB2 receptor
50031412	2	ChEMBL_615860 (CHEMBL1101970)	Binding affinity to rat brain CB2 receptor
50031412	3	ChEMBL_615861 (CHEMBL1101971)	Binding affinity to CB1 receptor
50048363	13	ChEMBL_3378 (CHEMBL620615)	Binding affinity against 5-Hydroxytryptamine 4 receptor
50048363	17	ChEMBL_139974 (CHEMBL749029)	Binding affinity against Muscarinic M1 receptor
50048363	2	ChEMBL_139975 (CHEMBL749030)	Binding affinity against Muscarinic M1 receptor
50031414	1	ChEMBL_615875 (CHEMBL1102709)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50031414	2	ChEMBL_615876 (CHEMBL1102710)	Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain membranes
50031414	3	ChEMBL_615881 (CHEMBL1102715)	Antagonist activity at delta opioid receptor in mouse vas deferens
50031414	4	ChEMBL_615882 (CHEMBL1102716)	Antagonist activity at mu opioid receptor in guinea pig ileum
50031415	1	ChEMBL_615887 (CHEMBL1102721)	Inhibition of VCP assessed as conversion of ATP to ADP by enzyme coupled glucokinase assay
50031415	2	ChEMBL_615892 (CHEMBL1102726)	Inhibition of VCP in human HeLa cells assessed as stabilization of ubiquitin-tagged luciferase after 24 hrs by reporter gene assay
50031416	1	ChEMBL_615894 (CHEMBL1102908)	Inhibition of mouse brain AChE after 1 hr by modified Ellman's colorimetric method
50010336	25	ChEBML_1970488	Inhibition of recombinant human GST-tagged EPHA1 cytoplasmic domain (568 to 976 residues) expressed in baculovirus expression system using Tyr 02 as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	26	ChEBML_1970487	Inhibition of recombinant full length human GST-tagged GRK4 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	27	ChEBML_1970486	Inhibition of full length recombinant GST-tagged human YES1 expressed in baculovirus expression system using tyr 02 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	28	ChEBML_1970485	Inhibition of recombinant human His-tagged KDR (789 to 1356 residues) expressed in baculovirus expression system using Tyr1 as substrate incubated for 1 hr in presence of ATP by Z'-LYTE assay
50010336	29	ChEBML_1970484	Inhibition of recombinant full length N-terminal GST-tagged human HCK expressed in baculovirus expression system using Tyr 02 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	30	ChEBML_1970483	Inhibition of recombinant human GST-tagged EPHB1 catalytic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	31	ChEBML_1970482	Inhibition of recombinant full length human His-tagged BTK expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	32	ChEBML_1970481	Inhibition of recombinant GST-tagged human PIK3C2B catalytic domain expressed in baculovirus expression system using PI as substrate after 1 hr in presence of ATP by Adapta assay
50010336	260	ChEBML_1970813	Inhibition of recombinant full length human His-tagged TSSK1 expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	34	ChEMBL_1970479 (CHEMBL4603297)	Inhibition of recombinant full length human His-tagged ABL1 E255K mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	247	ChEBML_1970769	Inhibition of recombinant human GST-tagged PLK3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	213	ChEBML_1970799	Inhibition of recombinant full length human GST-tagged RPS6KA5 expressed in baculovirus expression system using ser/Thr01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	38	ChEBML_1970475	Inhibition of recombinant full length human C-terminal His-tagged ABL2F cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50031417	1	ChEMBL_615899 (CHEMBL1102913)	Inhibition of rat CRTH2 receptor
50031417	2	ChEMBL_615900 (CHEMBL1102914)	Inhibition of mouse CRTH2 receptor
50031417	3	ChEMBL_615901 (CHEMBL1102915)	Inhibition of guinea pig CRTH2 receptor
50031417	4	ChEMBL_615902 (CHEMBL1102916)	Inhibition of human DP receptor
50031417	5	ChEMBL_615903 (CHEMBL1102917)	Inhibition of mouse DP receptor
50031417	6	ChEMBL_615905 (CHEMBL1102919)	Inhibition of thromboxane A2 receptor
50010336	39	ChEBML_1970474	Inhibition of recombinant full length human His-tagged GRK2 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	40	ChEBML_1970473	Inhibition of recombinant full length human GST-tagged GRK3 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	41	ChEBML_1970472	Inhibition of recombinant full length human His-tagged AKT1 expressed in baculovirus expression system using serine/threonine-06 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	42	ChEBML_1970471	Inhibition of recombinant full length human His-tagged AKT2 expressed in baculovirus expression system using Ser/Thr-06 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50048367	1	ChEMBL_34490 (CHEMBL647202)	Binding affinity for human Alpha-1B adrenergic receptor from cultured LM(tk-) cells using [3H]prazosin 
50048367	2	ChEMBL_33656 (CHEMBL649237)	Alpha-2C adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis
50048367	3	ChEMBL_33664 (CHEMBL649245)	Binding affinity for human Alpha-2C adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin
50048367	4	ChEMBL_33194 (CHEMBL642221)	Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate
50048367	5	ChEMBL_32594 (CHEMBL857995)	Binding affinity for human Alpha-1D adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin
50048367	6	ChEMBL_33203 (CHEMBL643228)	Binding affinity for human Alpha-2A adrenergic receptor from cultured LM(tk-) cells using [3H]rauwolscine
50048367	7	ChEMBL_33362 (CHEMBL644766)	Alpha-2B adrenergic receptor agonistic potency as inhibition of forskolin-stimulated cyclic adenosine monophosphate synthesis
50048367	8	ChEMBL_33879 (CHEMBL643751)	Binding affinity for human Alpha-1A adrenergic receptor from cultured LM(tk-) cells using [3H]-prazosin
50048367	9	ChEMBL_33368 (CHEMBL645106)	Binding affinity for human Alpha-2B adrenergic receptor from cultured Y-1 cells using [3H]rauwolscine
50031418	1	ChEMBL_615910 (CHEMBL1102924)	Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA
50031418	2	ChEMBL_615909 (CHEMBL1102923)	Inhibition of CDK2
50031418	4	ChEMBL_616043 (CHEMBL1102006)	Inhibition of KDR
50031418	5	ChEMBL_616044 (CHEMBL1102007)	Inhibition of cKIT
50031419	1	ChEMBL_616071 (CHEMBL1102034)	Inhibition of CYP2D6
50031420	1	ChEMBL_616079 (CHEMBL1102042)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay
50031420	2	ChEMBL_616078 (CHEMBL1102041)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay
50031420	3	ChEMBL_616080 (CHEMBL1102043)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay
50031420	4	ChEMBL_616081 (CHEMBL1102044)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay
50031421	1	ChEMBL_616101 (CHEMBL1102770)	Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay
50031421	2	ChEMBL_616102 (CHEMBL1102771)	Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay
50031421	3	ChEMBL_616103 (CHEMBL1102772)	Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay
50031421	4	ChEMBL_616104 (CHEMBL1102773)	Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay
50048367	10	ChEMBL_33367 (CHEMBL645105)	Binding affinity for human Alpha-2B adrenergic receptor from cultured LM(tk-) cells using [3H]- prazosin
50041010	7	ChEMBL_138252 (CHEMBL857566)	Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland
50041010	8	ChEMBL_139264 (CHEMBL745072)	Compound was tested for binding affinity against Muscarinic acetylcholine receptor M4 in NG 108-15 cell homogenates
50041010	5	ChEMBL_140117 (CHEMBL748360)	Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart
50048368	1	ChEMBL_58821 (CHEMBL668244)	Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390
50048368	2	ChEMBL_60955 (CHEMBL670974)	Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperone
50048368	3	ChEMBL_32937 (CHEMBL646079)	Compound was tested for its binding affinity against Alpha-2 adrenergic receptor
50048368	4	ChEMBL_33434 (CHEMBL859456)	Compound was tested for its binding affinity against Alpha-1 adrenergic receptor
50048369	1	ChEMBL_221481 (CHEMBL842068)	Inhibitory activity against p56 Lck tyrosine kinase
50048369	2	ChEMBL_221637 (CHEMBL823027)	Inhibitory activity against p56 Lyn tyrosine kinase
50048369	3	ChEMBL_221785 (CHEMBL843060)	Inhibitory activity against p60 c-Src tyrosine kinase
50048369	4	ChEMBL_221303 (CHEMBL841998)	Inhibitory activity against p55 Fyn tyrosine kinase
50048370	1	ChEMBL_162383 (CHEMBL767471)	Inhibitory concentration required against Protein kinase C (isolated from rat brain) in PKC assay performed with 4 ug phosphatidyl serine:diacylglycerol (2:1)
50048370	2	ChEMBL_162385 (CHEMBL767473)	Inhibition of Protein kinase C of rat brain using phosphatidyl serine: di-acyl glycerol (2:1)
50048371	1	ChEMBL_162379 (CHEMBL767467)	Inhibition of Protein kinase C isolated from rat brain
50031424	1	ChEMBL_616401 (CHEMBL1100687)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay
50031424	2	ChEMBL_616400 (CHEMBL1100686)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay
50031424	3	ChEMBL_616403 (CHEMBL1100689)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay
50031424	4	ChEMBL_616402 (CHEMBL1100688)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay
50031425	1	ChEMBL_616422 (CHEMBL1100708)	Inhibition of human erythrocyte AChE after 5 mins by Ellman's method
50031425	2	ChEMBL_616423 (CHEMBL1100709)	Inhibition of human plasma BChE after 5 mins by Ellman's method
50031425	3	ChEMBL_616424 (CHEMBL1100710)	Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-Burke plot analysis for enzyme-inhibitor complex
50031425	4	ChEMBL_616425 (CHEMBL1100711)	Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-Burke plot analysis
50031426	1	ChEMBL_616439 (CHEMBL1100898)	Inhibition of human thymidine phosphorylase
50031427	1	ChEMBL_616545 (CHEMBL1102672)	Inhibition of human recombinant p38alpha assessed as phosphorylated ATF2 after 1 hr by HTRF assay
50031427	2	ChEMBL_616563 (CHEMBL1099700)	Inhibition of p38alpha
50031427	3	ChEMBL_616564 (CHEMBL1099701)	Inhibition of p38beta
50031427	4	ChEMBL_616554 (CHEMBL1099516)	Inhibition of CYP3A4
50031427	5	ChEMBL_616555 (CHEMBL1099517)	Inhibition of CYP2D6
50031427	6	ChEMBL_616556 (CHEMBL1099693)	Inhibition of CYP2C9
50031427	7	ChEMBL_616557 (CHEMBL1099694)	Inhibition of CYP2C19
50031427	8	ChEMBL_616558 (CHEMBL1099695)	Inhibition of CYP1A2
50031429	1	ChEMBL_616579 (CHEMBL1099716)	Antagonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5HT-induced intracellular cAMP level after 10 mins by radioimmunoassay
50031429	2	ChEMBL_616576 (CHEMBL1099713)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs
50031429	3	ChEMBL_616577 (CHEMBL1099714)	Agonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as effect on 5HT-induced intracellular cAMP level after 10 mins by radioimmunoassay
50031430	1	ChEMBL_616600 (CHEMBL1100140)	Inhibition of ER
50031430	2	ChEMBL_616797 (CHEMBL1103121)	Inhibition of AR
50031430	3	ChEMBL_616601 (CHEMBL1100141)	Displacement of 1,25-dihydroxyvitamin D3 from GST-tagged VDR ligand binding domain assessed as inhibition of interaction with coactivator proteins by TR-FRET assay
50031430	4	ChEMBL_616604 (CHEMBL1100144)	Antagonist activity at human recombinant VDR LBD expressed in HEK293 cells assessed as inhibition of 3 nM 1,25-(OH)2D3-induced transcriptional activation after 16 to 18 hrs by GAL4-dependent luciferase reporter gene assay
50031430	5	ChEMBL_616795 (CHEMBL1103119)	Antagonist activity at human recombinant ERbeta LBD expressed in HEK293 cells assessed as inhibition of 0.3 nM estradiol-induced transcriptional activation after 16 to 18 hrs by GAL4-dependent luciferase reporter gene assay
50031430	6	ChEMBL_616607 (CHEMBL1100722)	Antagonist activity at human recombinant VDR LBD expressed in HEK293 cells assessed as inhibition of 300 nM 1,25-(OH)2D3-induced transcriptional activation after 16 to 18 hrs by GAL4-dependent luciferase reporter gene assay
50031430	7	ChEMBL_616793 (CHEMBL1103117)	Antagonist activity at human recombinant ERalpha LBD expressed in HEK293 cells assessed as inhibition of 0.3 nM estradiol-induced transcriptional activation after 16 to 18 hrs by GAL4-dependent luciferase reporter gene assay
50031431	1	ChEMBL_616799 (CHEMBL1103123)	Inhibition of recombinant JAK2 kinase in presence of 5 mM ATP
50031431	2	ChEMBL_616809 (CHEMBL1103133)	Inhibition of human ERG
50031431	3	ChEMBL_616798 (CHEMBL1103122)	Inhibition of recombinant JAK2 kinase in presence of ATP
50031432	1	ChEMBL_616813 (CHEMBL1103137)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells
50031432	3	ChEMBL_616815 (CHEMBL1099399)	Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells
50031433	1	ChEMBL_616816 (CHEMBL1099400)	Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay
50031433	2	ChEMBL_616817 (CHEMBL1099401)	Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay
50031434	1	ChEMBL_616822 (CHEMBL1100206)	Inhibition of rat brain AChE by Ellman's method
50031434	2	ChEMBL_616823 (CHEMBL1100207)	Inhibition of rat plasma BChE by Ellman's method
50034811	9	ChEMBL_40217 (CHEMBL653063)	Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined
50034811	3	ChEMBL_40192 (CHEMBL652239)	Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined
50029572	2	ChEMBL_101737 (CHEMBL709093)	Inhibition of semi-purified human lung fibroblast collagenase
50048372	1	ChEMBL_36646 (CHEMBL652356)	In vitro displacement of [125I]angiotensin II from rat liver (Angiotensin 1 receptor) membrane preparation
50048372	2	ChEMBL_36651 (CHEMBL649911)	In vitro displacement of [125I]angiotensin II from angiotensin 2 receptor on rabbit uterus membrane preparation
50031435	5	ChEMBL_616833 (CHEMBL1100217)	Inhibition of human mPGES1
50031435	6	ChEMBL_616834 (CHEMBL1100218)	Inhibition of FLAP
50031435	7	ChEMBL_616835 (CHEMBL1100219)	Inhibition of mPGES1
50031435	10	ChEMBL_616845 (CHEMBL1100229)	Inhibition of human prostacyclin synthase in IL-1-beta-stimulated human RASF cells assessed as PGF1alpha levels after 50 mins by ELISA
50031435	12	ChEMBL_616847 (CHEMBL1100231)	Inhibition of human thromboxane A synthase in IL-1-beta-stimulated human RASF cells assessed as TXB2 levels after 50 mins by ELISA
50031436	1	ChEMBL_616849 (CHEMBL1100233)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting
50031436	2	ChEMBL_616850 (CHEMBL1100234)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting
50031437	1	ChEMBL_617060 (CHEMBL1100566)	Displacement of [125I][Sar1,Ile8]Ang2 from wild-type human AT1 receptor expressed in CHO cells by gamma counting
50031438	1	ChEMBL_617093 (CHEMBL1101351)	Inhibition of CYP1A2
50031438	2	ChEMBL_617094 (CHEMBL1101352)	Inhibition of CYP2D6
50031438	3	ChEMBL_617095 (CHEMBL1101353)	Inhibition of CYP3A4
50031438	4	ChEMBL_617096 (CHEMBL1101354)	Inhibition of CYP2C9
50031438	5	ChEMBL_617080 (CHEMBL1100586)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells after 60 mins
50031438	6	ChEMBL_617081 (CHEMBL1100587)	Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells after 60 mins by rapid filtration assay
50031438	7	ChEMBL_617082 (CHEMBL1100588)	Displacement of [3H]imipramine from human SERT expressed in HEK293 cells after 30 mins by rapid filtration assay
50031438	8	ChEMBL_617120 (CHEMBL1101378)	Inhibition of 5-HT2A receptor
50031438	9	ChEMBL_617121 (CHEMBL1101379)	Inhibition of SERT
50031438	10	ChEMBL_617087 (CHEMBL1101345)	Inhibition of 5HT1A receptor
50031438	11	ChEMBL_617088 (CHEMBL1101346)	Inhibition of 5HT6 receptor
50031438	12	ChEMBL_617089 (CHEMBL1101347)	Inhibition of 5HT7 receptor
50031438	13	ChEMBL_617090 (CHEMBL1101348)	Inhibition of dopamine D2 receptor
50031438	14	ChEMBL_617091 (CHEMBL1101349)	Inhibition of dopamine D3 receptor
50031438	15	ChEMBL_617092 (CHEMBL1101350)	Inhibition of dopamine D4 receptor
50031439	1	ChEMBL_617122 (CHEMBL1101380)	Displacement of [3H]cortisone from human 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay
50031439	2	ChEMBL_617123 (CHEMBL1101381)	Displacement of [3H]cortisone from mouse 11beta-HSD1 expressed in baculovirus-infected Sf9 cells after 1 hr by scintillation proximity assay
50031440	1	ChEMBL_617135 (CHEMBL1101573)	Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay
50031440	2	ChEMBL_617125 (CHEMBL1101383)	Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
50031440	3	ChEMBL_617126 (CHEMBL1101384)	Agonist activity at S1P3 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
50031440	4	ChEMBL_617127 (CHEMBL1101385)	Agonist activity at S1P5 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
50031441	1	ChEMBL_617327 (CHEMBL1101142)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs
50031441	2	ChEMBL_617326 (CHEMBL1100948)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent methyl-alpha-D-[U-14C]glucopyranoside uptake after 2 hrs
50029592	4	ChEMBL_205575 (CHEMBL880944)	Binding affinity to human Tachykinin receptor 1
50029574	3	ChEMBL_34959 (CHEMBL647801)	In vitro binding affinity at Angiotensin II Type 1 receptor in rat liver membrane by [125I]AII displacement.
50048373	1	ChEMBL_36647 (CHEMBL652357)	Concentration required for 50% inhibition of [125I]- AII binding to rat liver membrane preparation (AT1)
50031443	1	ChEMBL_617371 (CHEMBL1101882)	Inhibition of human NMT expressed in Escherichia coli DH5alpha cells
50031444	1	ChEMBL_617377 (CHEMBL1101888)	Inhibition of human recombinant cathepsin K by fluorescence assay
50031444	2	ChEMBL_617378 (CHEMBL1101889)	Inhibition of human recombinant cathepsin S by fluorescence assay
50031444	3	ChEMBL_617379 (CHEMBL1101890)	Inhibition of human recombinant cathepsin L by fluorescence assay
50031444	4	ChEMBL_617380 (CHEMBL1101891)	Inhibition of human recombinant cathepsin B by fluorescence assay
50031444	5	ChEMBL_617393 (CHEMBL1101904)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50031445	1	ChEMBL_617636 (CHEMBL1101245)	Displacement of [125I]VEGF-A from human NRP1 expressed in pig aortic endothelial cells
50031445	2	ChEMBL_617637 (CHEMBL1101246)	Displacement of biotinylated-VEGF-A125 from NRP1 b1 domain by cell-free assay
50031445	3	ChEMBL_617640 (CHEMBL1101249)	Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in HUVEC
50031445	4	ChEMBL_617638 (CHEMBL1101247)	Displacement of [125I]VEGF-A from human NRP1 expressed in human A549 cells
50031445	5	ChEMBL_617639 (CHEMBL1101248)	Displacement of biotinylated-VEGF-A125 from human NRP1 expressed in human DU145 cells
50031446	1	ChEMBL_617669 (CHEMBL1101465)	Agonist activity at human S1P5 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
50031446	2	ChEMBL_617670 (CHEMBL1101466)	Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
50031446	3	ChEMBL_617665 (CHEMBL1101461)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
50031446	4	ChEMBL_617666 (CHEMBL1101462)	Agonist activity at human S1P2 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
50031446	5	ChEMBL_617667 (CHEMBL1101463)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
50031446	6	ChEMBL_617668 (CHEMBL1101464)	Agonist activity at human S1P4 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
50031447	1	ChEMBL_617674 (CHEMBL1101470)	Inhibition of human recombinant cathepsin K by fluorescence assay
50031447	2	ChEMBL_617675 (CHEMBL1101471)	Inhibition of cathepsin B
50031447	3	ChEMBL_617676 (CHEMBL1101472)	Inhibition of cathepsin L
50031447	4	ChEMBL_617677 (CHEMBL1101473)	Inhibition of cathepsin S
50029581	4	ChEMBL_36648 (CHEMBL652358)	In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation
50029582	2	ChEMBL_143036 (CHEMBL751908)	Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranes
50029592	5	ChEMBL_92940 (CHEMBL706151)	Inhibition of binding to L-type [Ca2+] channel
50048374	1	ChEMBL_162407 (CHEMBL769354)	In vitro inhibition of Protein Kinase C
50048374	2	ChEMBL_161914 (CHEMBL767993)	In vitro inhibition of Protein Kinase A
50031449	1	ChEMBL_617696 (CHEMBL1102236)	Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus system assessed as [33gamma]ATP phosphorylation of poly(Glu/Tyr) substrate after 45 mins by scintillation counting
50031449	2	ChEMBL_617698 (CHEMBL1102238)	Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay
50031451	1	ChEMBL_614205 (CHEMBL1105155)	Inhibition of PKCepsilon
50029606	3	ChEMBL_2401 (CHEMBL617679)	Binding affinity to 5-hydroxytryptamine 2 receptor using [3H]ketanserin radioligand assay.
50031451	3	ChEMBL_614207 (CHEMBL1105157)	Inhibition of PKCbeta
50031451	4	ChEMBL_614208 (CHEMBL1105158)	Inhibition of PKCzeta
50031451	5	ChEMBL_614209 (CHEMBL1105159)	Inhibition of LCK
50031451	6	ChEMBL_614210 (CHEMBL1105160)	Inhibition of Lyn
50031451	7	ChEMBL_614211 (CHEMBL1105161)	Inhibition of Src
50031451	8	ChEMBL_614192 (CHEMBL1105142)	Inhibition of PKCtheta
50031451	9	ChEMBL_614193 (CHEMBL1105143)	Inhibition of PKCdelta
50031452	1	ChEMBL_614225 (CHEMBL1106928)	Inhibition of recombinant human DHODH by using blue indicator dye DCIP
50029606	2	ChEMBL_2402 (CHEMBL617680)	Tested for its binding affinity to Tested for its binding affinity to 5-hydroxytryptamine 2 receptor using [3H]-ketanserin radioligand assay using [3H]-ketanserin radioligand assay
50031454	1	ChEMBL_614254 (CHEMBL1106917)	Inhibition of human recombinant CYP2D6 by spectrofluorimetry
50031455	1	ChEMBL_614440 (CHEMBL1110510)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in the presence of 50 percent human serum
50031455	2	ChEMBL_614439 (CHEMBL1110509)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells
50031456	1	ChEMBL_614474 (CHEMBL1110542)	Potentiation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50031457	1	ChEMBL_614491 (CHEMBL1110559)	Inhibition of Src
50031457	2	ChEMBL_614487 (CHEMBL1110555)	Inhibition of KIT
50031457	3	ChEMBL_614722 (CHEMBL1114225)	Inhibition of DYRK1A
50048375	1	ChEMBL_40193 (CHEMBL857782)	Binding affinity was measured by its ability to displace [3H]CCK-8S from CCK-B receptor in guinea pig brain
50031457	5	ChEMBL_614501 (CHEMBL1111474)	Inhibition of EGFR
50048375	2	ChEMBL_40063 (CHEMBL857783)	Binding affinity was measured by its ability to displace [3H]CCK-8S from CCK-A receptor in rat pancreas
50031457	6	ChEMBL_614488 (CHEMBL1110556)	Inhibition of wild type Abl
50031457	7	ChEMBL_614504 (CHEMBL1111477)	Inhibition of Akt1
50031457	8	ChEMBL_614496 (CHEMBL1110564)	Inhibition of VEGFR2
50031457	9	ChEMBL_614497 (CHEMBL1110565)	Inhibition of PDGFRbeta
50031457	10	ChEMBL_614492 (CHEMBL1110560)	Inhibition of Lck
50031457	11	ChEMBL_614500 (CHEMBL1111473)	Inhibition of Raf1
50031457	12	ChEMBL_614512 (CHEMBL1111485)	Inhibition of ROCK1
50031457	13	ChEMBL_614507 (CHEMBL1111480)	Inhibition of Akt3
50031457	14	ChEMBL_614502 (CHEMBL1111475)	Inhibition of erbB2
50031457	15	ChEMBL_614505 (CHEMBL1111478)	Inhibition of Akt2
50031457	16	ChEMBL_614520 (CHEMBL1111495)	Inhibition of DHFR
50031457	17	ChEMBL_614526 (CHEMBL1111501)	Inhibition of CDK5
50031457	18	ChEMBL_614509 (CHEMBL1111482)	Inhibition of VEGFR1
50031457	19	ChEMBL_614720 (CHEMBL1114223)	Inhibition of CK1
50031457	20	ChEMBL_614499 (CHEMBL1111472)	Inhibition of Flt3
50031457	21	ChEMBL_614511 (CHEMBL1111484)	Inhibition of MSK1
50031457	22	ChEMBL_614524 (CHEMBL1111499)	Inhibition of JNK3
50031457	23	ChEMBL_614498 (CHEMBL1110566)	Inhibition of CSF1R
50031457	24	ChEMBL_614518 (CHEMBL1111491)	Inhibition of PI3K p110-alpha
50031457	26	ChEMBL_614503 (CHEMBL1111476)	Inhibition of IGF1R
50031457	28	ChEMBL_614510 (CHEMBL1111483)	Inhibition of Tie2
50031457	29	ChEMBL_614522 (CHEMBL1111497)	Inhibition of iNOS
50031457	30	ChEMBL_614516 (CHEMBL1111489)	Inhibition of LKB1
50031457	31	ChEMBL_614721 (CHEMBL1114224)	Inhibition of GSK3-beta
50031457	32	ChEMBL_614506 (CHEMBL1111479)	Inhibition of ERG
50031457	33	ChEMBL_614519 (CHEMBL1111492)	Inhibition of mTOR
50031458	1	ChEMBL_614756 (CHEMBL1113275)	Inhibition of human recombinant GSK3-beta using gamma[33P]-ATP after 30 mins by scintillation proximity assay
50031458	3	ChEMBL_614780 (CHEMBL1113299)	Inhibition of Tau phosphorylation in rat cerebral cortex after 120 mins by chemiluminescence assay
50031458	5	ChEMBL_614783 (CHEMBL1113302)	Inhibition of Cdk2
50031459	1	ChEMBL_614786 (CHEMBL1113305)	Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]bombesin from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting
50031459	2	ChEMBL_614787 (CHEMBL1113306)	Agonistic activity at human BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay
50031459	3	ChEMBL_614789 (CHEMBL1113308)	Agonistic activity at rat BRS3 expressed in HEK293AEO at 10 uM by aequorin bioluminescence assay
50031459	4	ChEMBL_614790 (CHEMBL1113309)	Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay
50031459	5	ChEMBL_614942 (CHEMBL1115979)	Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]bombesin from human bombesin BB1 receptor expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting
50031459	6	ChEMBL_614943 (CHEMBL1115980)	Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]bombesin from human bombesin BB2 receptor expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting
50031460	1	ChEMBL_614944 (CHEMBL1115981)	Inhibition of ACE in rabbit lung assessed as decrease in dansylglycine concentration after 5 mins by HPLC analysis
50031461	1	ChEMBL_614949 (CHEMBL1116826)	Inhibition of Trypanosoma brucei MAC2
50031462	1	ChEMBL_614964 (CHEMBL1116841)	Inhibition of human recombinant DNA polymerase alpha expressed in baculovirus infected SF9 cells after 12 mins by scintillation proximity assay
50031463	1	ChEMBL_615023 (CHEMBL1104262)	Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coated wells
50031463	2	ChEMBL_615024 (CHEMBL1104263)	Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coated wells
50031464	1	ChEMBL_615204 (CHEMBL1107839)	Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay
50018115	17	ChEMBL_2264676	Inhibition of CDK1/Cyclin B (unknown origin)
50018115	18	ChEMBL_2264677	Inhibition of CDK4/Cyclin D1 (unknown origin)
50018115	19	ChEMBL_2264678	Binding affinity to CDK9 (unknown origin) by KINOMEscan method
50031465	2	ChEMBL_615206 (CHEMBL1107841)	Inhibition of Cathepsin D
50018115	20	ChEMBL_2264679	Binding affinity to CDK7 (unknown origin) by KINOMEscan method
50018115	21	ChEMBL_2264680	Inhibition of CDK9/Cyclin K (unknown origin) by LanthaScreen binding assay
50048377	1	ChEMBL_58469 (CHEMBL670400)	Binding affinity towards mouse LtK- cells transfected with human D2 receptor using [3H]spiperone
50048377	2	ChEMBL_58784 (CHEMBL666971)	Binding affinity towards Chinese hamster ovary cells transfected with human D3 receptor using [3H]spiperone
50031465	3	ChEMBL_615210 (CHEMBL1107845)	Inhibition of BACE2
50048377	3	ChEMBL_1515 (CHEMBL616347)	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus
50031466	1	ChEMBL_615215 (CHEMBL1107850)	Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay
50031467	1	ChEMBL_615224 (CHEMBL1115874)	Antagonist activity at human oxytocin receptor expressed in CHO cells by beta lactamase assay
50031467	2	ChEMBL_615225 (CHEMBL1115875)	Antagonist activity at human vasopressin V1A receptor
50031468	1	ChEMBL_615262 (CHEMBL1115912)	Inhibition of TACE by FRET assay
50031468	2	ChEMBL_615263 (CHEMBL1115913)	Inhibition of MMP1
50031468	3	ChEMBL_615264 (CHEMBL1115914)	Inhibition of MMP2
50031468	4	ChEMBL_615265 (CHEMBL1115915)	Inhibition of MMP3
50031468	5	ChEMBL_615266 (CHEMBL1115916)	Inhibition of MMP7
50048377	4	ChEMBL_33140 (CHEMBL642095)	Binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart
50031468	7	ChEMBL_615268 (CHEMBL1115918)	Inhibition of MMP13
50048377	5	ChEMBL_33143 (CHEMBL642098)	Compound was evaluated for binding affinity towards Alpha-1 adrenergic receptor using [3H]prazosin in rat heart
50031468	9	ChEMBL_615270 (CHEMBL1115920)	Inhibition of ADAM9
50031468	10	ChEMBL_615271 (CHEMBL1115921)	Inhibition of ADAM10
50031469	1	ChEMBL_615438 (CHEMBL1106905)	Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting
50031470	1	ChEMBL_615454 (CHEMBL1107772)	Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells
50048377	6	ChEMBL_58303 (CHEMBL857793)	Binding affinity towards D1 receptor using [3H]-SCH- 23390 in rat striatal tissue
50048377	7	ChEMBL_58938 (CHEMBL857794)	Binding affinity towards Chinese hamster ovary cells transfected with human D4 receptor using [3H]spiperone
50048377	8	ChEMBL_58945 (CHEMBL671259)	Binding affinity towards Dopamine D4 receptor
50048378	1	ChEMBL_219524 (CHEMBL824501)	Compound was tested for ability to stimulate metabotropic glutamate receptor (mGluR) mediated phosphoinositide hydrolysis in rat hippocampus
50048378	2	ChEMBL_219523 (CHEMBL824500)	Compound was tested for ability to stimulate metabotropic glutamate receptor (mGluR) mediated phosphoinositide hydrolysis in rat hippocampus
50048379	1	ChEMBL_36497 (CHEMBL652611)	Inhibitory activity against Angiotensin II receptor
50048379	2	ChEMBL_36498 (CHEMBL652612)	Inhibitory activity against Angiotensin II receptor was determined
50029625	2	ChEMBL_28484 (CHEMBL646055)	Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholesterol-fed rats was determined
50029629	2	ChEMBL_86707 (CHEMBL693299)	Observed binding affinity against Human leukocyte elastase (HLE)
50029629	3	ChEMBL_86691 (CHEMBL694282)	Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)
50031472	1	ChEMBL_615462 (CHEMBL1107780)	Antagonistic activity at TGFBR1
50031473	1	ChEMBL_615498 (CHEMBL1105128)	Displacement of [3H]radioligand from human recombinant dopamine D5 receptor expressed in HEK293 cells by microplate scintillation counting
50031473	2	ChEMBL_615495 (CHEMBL1105125)	Displacement of [3H]spiperone from human recombinant dopamine D2L receptor expressed in HEK293 cells by microplate scintillation counting
50031473	3	ChEMBL_615496 (CHEMBL1105126)	Displacement of [3H]radioligand from human recombinant dopamine D3 receptor expressed in HEK293 cells by microplate scintillation counting
50031473	4	ChEMBL_615494 (CHEMBL1105124)	Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor expressed in HEK293 cells by microplate scintillation counting
50034817	3	ChEMBL_222912 (CHEMBL844538)	Binding affinity towards rat muscarinic receptor
50029639	3	ChEMBL_46141 (CHEMBL660014)	Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes
50048380	1	ChEMBL_225786 (CHEMBL847692)	Inhibitory activity in a cell-free assay of DNA cleavage mediated by purified HeLa cell topoisomerase II.
50034821	3	ChEMBL_208605 (CHEMBL812282)	Compound was tested for topoisomerase II inhibition in purified HeLa cells by SDS/K+ precipitation method
50048381	1	ChEMBL_48305 (CHEMBL658194)	Anticoagulant activity when interacted with Coagulation factor II
50048381	2	ChEMBL_48965 (CHEMBL661676)	Anticoagulant activity when interacted with Coagulation factor X
50048382	1	ChEMBL_161280 (CHEMBL766910)	Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to rat brain protein kinase C gamma regulatory domain
50048383	1	ChEMBL_58827 (CHEMBL671912)	Inhibition constant for in vitro inhibition of [3H]-SCH- 23390 binding to striatal membranes Dopamine receptor D1
50048383	2	ChEMBL_60965 (CHEMBL671585)	Inhibition constant for in vitro inhibition of [3H]spiperone binding to striatal membranes Dopamine receptor D2
50048383	3	ChEMBL_2430 (CHEMBL617266)	Inhibition constant for in vitro inhibition of [3H]ketanserin binding to rat frontal cortex membranes 5-hydroxytryptamine 2A receptor
50034825	4	ChEMBL_44153 (CHEMBL653304)	Compound was tested for CETP inhibition by a precipitation method to separate lipoproteins after incubation of radiolabeled HDL with LDL and CETP.
50029660	8	ChEMBL_63524 (CHEMBL677272)	Binding affinity in Chinese hamster ovary (CHO) cells stably transfected with human endothelin B (ETB) receptor
50034826	3	ChEMBL_159888 (CHEMBL769533)	Inhibitory constant for inhibition of prolidase in the first phase of biphasic inhibition
50048384	1	ChEMBL_222904 (CHEMBL844531)	Binding affinity towards muscarinic receptor using [3H]quinuclidinyl benzilate (QNB) to label antagonist sites in membrane preparations from rat neocortex
50048384	2	ChEMBL_222903 (CHEMBL845361)	Binding affinity towards muscarinic receptor using [3H]cis-methyldioxolane (CMD) to label agonist sites in membrane preparations from rat neocortex
50048385	1	ChEMBL_139936 (CHEMBL748168)	Binding affinity against muscarinic receptor using radioligand [3H]quinuclidinyl benzilate (QNB) binding assay in membrane preparations of rat neocortex.
50048385	2	ChEMBL_139934 (CHEMBL748601)	Binding affinity against muscarinic receptor using radioligand [3H]cis-methyldioxolane (CMD) binding assay in membrane preparations of rat neocortex.
50031475	1	ChEMBL_615727 (CHEMBL1100502)	Inhibition of CYP2C8
50031475	2	ChEMBL_615728 (CHEMBL1100503)	Inhibition of CYP2D6
50031475	3	ChEMBL_615729 (CHEMBL1100504)	Inhibition of CYP3A4
50031475	4	ChEMBL_615730 (CHEMBL1100505)	Inhibition of CYP2C9
50031475	5	ChEMBL_615509 (CHEMBL1105987)	Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry
50031475	6	ChEMBL_615510 (CHEMBL1105988)	Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albumin
50031475	7	ChEMBL_615513 (CHEMBL1105991)	Agonist activity at cloned human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50031475	8	ChEMBL_615705 (CHEMBL1106878)	Agonist activity at mouse GPR109A receptor by [35S]GTPgammaS binding assay
50031475	9	ChEMBL_615706 (CHEMBL1106879)	Agonist activity at rat GPR109A receptor by [35S]GTPgammaS binding assay
50031476	1	ChEMBL_615731 (CHEMBL1100506)	Inhibition of Trypanosoma cruzi X10/1 recombinant trypanothione reductase assessed as increase in absorbance at 410 nm due to the formation of TNB
50031477	1	ChEMBL_615752 (CHEMBL1100106)	Inhibition of MIF
50031478	1	ChEMBL_615761 (CHEMBL1100115)	Inhibition of CYP1A2
50031478	2	ChEMBL_615762 (CHEMBL1100116)	Inhibition of CYP2C9
50031478	3	ChEMBL_615763 (CHEMBL1100117)	Inhibition of CYP2C19
50031478	4	ChEMBL_615764 (CHEMBL1100118)	Inhibition of CYP2D6
50031478	5	ChEMBL_615765 (CHEMBL1100119)	Inhibition of CYP3A4
50031479	1	ChEMBL_615933 (CHEMBL1099779)	Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells
50031480	1	ChEMBL_626416 (CHEMBL1116196)	Inhibition of CYP3A4
50031481	1	ChEMBL_626642 (CHEMBL1113624)	Inhibition of human C3 convertase assessed as inhibition of C3a and C3b fragment production at pH 7.4 after 30 mins by SDS-PAGE
50031481	2	ChEMBL_626639 (CHEMBL1112746)	Inhibition of human complement factor B treated for 5 mins before addition of substrate Ac-SHLGLAR-pNA at pH 9.5 by chromogenic assay
50031481	3	ChEMBL_626636 (CHEMBL1112743)	Inhibition of human complement factor B at pH 9.5 by chromogenic assay
50031481	4	ChEMBL_626449 (CHEMBL1117148)	Inhibition of human C3/C5 convertase assessed as inhibition of C3 cleavage
50031482	1	ChEMBL_626670 (CHEMBL1108872)	Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting
50031483	1	ChEMBL_626925 (CHEMBL1114520)	Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in human Jurkat cells by scintillation counting
50031483	2	ChEMBL_626923 (CHEMBL1114518)	Displacement of [3H](+)-pentazocine from guinea-pig cerebral cortex sigma 1 receptor after 150 mins
50031485	1	ChEMBL_626936 (CHEMBL1109824)	Inhibition of human Tdp1 expressed in Escherichia coli assessed as blockade of enzyme-mediated hydrolysis of phosphodiester linkage between tyrosine and 3^-end of single stranded N14Y DNA substrate by SDS-PAGE electrophoresis
50031486	1	ChEMBL_626942 (CHEMBL1109830)	Inhibition of b-Raf
50031486	3	ChEMBL_626950 (CHEMBL1109838)	Inhibition of CDK2
50031486	4	ChEMBL_626951 (CHEMBL1109839)	Inhibition of PKBalpha
50031486	6	ChEMBL_626953 (CHEMBL1109841)	Inhibition of PKCbeta
50031486	7	ChEMBL_626954 (CHEMBL1109842)	Inhibition of IKK-beta
50031486	8	ChEMBL_626955 (CHEMBL1109843)	Inhibition of JNK1
50031486	9	ChEMBL_626956 (CHEMBL1109844)	Inhibition of ERK2
50031486	10	ChEMBL_626957 (CHEMBL1109845)	Inhibition of P38alpha
50031486	11	ChEMBL_626958 (CHEMBL1109846)	Inhibition of MK2
50031486	12	ChEMBL_627130 (CHEMBL1110867)	Inhibition of ROCK1
50031486	13	ChEMBL_627132 (CHEMBL1110869)	Inhibition of Src
50031486	14	ChEMBL_627133 (CHEMBL1110870)	Inhibition of Fyn
50031486	15	ChEMBL_627134 (CHEMBL1110871)	Inhibition of Abl1
50031486	16	ChEMBL_627135 (CHEMBL1110872)	Inhibition of GCK
50031486	18	ChEMBL_627138 (CHEMBL1110875)	Inhibition of PLK1
50031486	19	ChEMBL_627139 (CHEMBL1110876)	Inhibition of IGFR1
50031486	20	ChEMBL_627140 (CHEMBL1110877)	Inhibition of LCK
50031486	21	ChEMBL_627142 (CHEMBL1110879)	Inhibition of PI3Kalpha
50031486	22	ChEMBL_627143 (CHEMBL1110880)	Inhibition of mTOR
50031486	23	ChEMBL_627144 (CHEMBL1111786)	Inhibition of PDK1
50031486	24	ChEMBL_627145 (CHEMBL1111787)	Inhibition of TPL2
50031487	4	ChEMBL_627165 (CHEMBL1111807)	Binding affinity to JNK2
50031487	5	ChEMBL_627166 (CHEMBL1111808)	Binding affinity to JNK3
50031487	6	ChEMBL_627168 (CHEMBL1111810)	Binding affinity to NLK
50031487	7	ChEMBL_627170 (CHEMBL1111812)	Binding affinity to JNK1
50031487	8	ChEMBL_627171 (CHEMBL1111813)	Binding affinity to CSNK1epsilon
50031487	9	ChEMBL_627167 (CHEMBL1111809)	Binding affinity to ACVR2beta
50031487	10	ChEMBL_627169 (CHEMBL1111811)	Binding affinity to PIK4Cbeta
50048385	3	ChEMBL_139928 (CHEMBL748596)	60 Binding affinity against muscarinic receptor was evaluated using radioligand [3H]quinuclidinyl benzilate (QNB) binding assay in membrane preparations of rat neocortex
50031490	1	ChEMBL_627629 (CHEMBL1114459)	Inhibition of IgG binding to soluble human FcRn after 5 hrs by competition ELISA
50031490	2	ChEMBL_627630 (CHEMBL1114460)	Binding affinity to soluble human FcRn at pH 6 by surface plasmon resonance assay
50031490	3	ChEMBL_627631 (CHEMBL1114461)	Binding affinity to soluble human FcRn at pH 7.4 by surface plasmon resonance assay
50029665	11	ChEMBL_2039 (CHEMBL616873)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 2.8-6.5
50029665	16	ChEMBL_2038 (CHEMBL616872)	Compound was tested for its ability inhibit forskolin-stimulated activity of adenylate cyclase coupled to human 5-hydroxytryptamine 1D receptor beta in CHO-K1 cells; value ranges from 0.6-2.0
50031491	1	ChEMBL_627653 (CHEMBL1114483)	Inhibition of CYP3A4
50031491	2	ChEMBL_627652 (CHEMBL1114482)	Inhibition of CYP2C9
50031491	3	ChEMBL_627651 (CHEMBL1114481)	Inhibition of CYP2D6
50031491	4	ChEMBL_627650 (CHEMBL1114480)	Inhibition of CYP2C19
50031491	5	ChEMBL_627649 (CHEMBL1114479)	Inhibition of CYP1A2
50031491	6	ChEMBL_627647 (CHEMBL1114477)	Inhibition of human ERG potassium channel
50031491	7	ChEMBL_627675 (CHEMBL1115255)	Inhibition of human CB1 receptor
50031491	8	ChEMBL_627676 (CHEMBL1115256)	Inhibition of human CB2 receptor
50031492	1	ChEMBL_623882 (CHEMBL1105405)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by standard fluorescence assay in presence of DTT
50031492	2	ChEMBL_623886 (CHEMBL1105409)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain using low concentration of enzyme by standard fluorescence assay in presence of detergent
50031492	3	ChEMBL_623885 (CHEMBL1105408)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain using low concentration of enzyme by standard fluorescence assay
50031492	4	ChEMBL_623884 (CHEMBL1105407)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain using high concentration of enzyme by standard fluorescence assay in presence of detergent
50031492	5	ChEMBL_623883 (CHEMBL1105406)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain using high concentration of enzyme by standard fluorescence assay
50031492	6	ChEMBL_623874 (CHEMBL1105397)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain by standard fluorescence assay
50031493	1	ChEMBL_623892 (CHEMBL1105415)	Ex vivo inhibition of human HDAC1 in human Caco-2 cells by fluorometric cellular activity assay
50031493	2	ChEMBL_623893 (CHEMBL1105416)	Ex vivo inhibition of human HDAC3 in human Caco-2 cells by fluorometric cellular activity assay
50031494	1	ChEMBL_624066 (CHEMBL1103397)	Inhibition of p38alpha
50031494	2	ChEMBL_624058 (CHEMBL1116944)	Inhibition of JNK1
50031494	3	ChEMBL_624059 (CHEMBL1116945)	Inhibition of JNK2
50031494	4	ChEMBL_624060 (CHEMBL1116946)	Inhibition of JNK3
50031494	5	ChEMBL_624062 (CHEMBL1116948)	Inhibition of recombinant GST-JNK2 after 120 mins
50031494	6	ChEMBL_624063 (CHEMBL1103394)	Inhibition of recombinant GST-JNK3 after 120 mins
50031494	7	ChEMBL_624070 (CHEMBL1103401)	Binding affinity to JNK1
50031495	1	ChEMBL_624072 (CHEMBL1103403)	Inhibition of human cathepsin S
50031495	2	ChEMBL_624073 (CHEMBL1103404)	Inhibition of cathepsin S in human JY cells assessed as inhibition of invariant chain degradation
50031496	1	ChEMBL_624074 (CHEMBL1103405)	Inhibition of human cathepsin S by ADAM-28 substrate-based fluorescence assay
50031496	2	ChEMBL_624075 (CHEMBL1103406)	Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10 fragment after 24 hrs by Western blot analysis
50031497	1	ChEMBL_624093 (CHEMBL1103424)	Inhibition of MMP2 by fluorometric assay
50048386	3	ChEBML_138253	Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M3) in rat submaxillary gland homogenates
50048386	4	ChEBML_139969	Inhibition of binding of [3H]pirenzepine to muscarinic receptor (M1) in rat cortex homogenates
50031497	5	ChEMBL_624092 (CHEMBL1103423)	Inhibition of MMP1 by fluorometric assay
50031497	6	ChEMBL_624097 (CHEMBL1103428)	Inhibition of human recombinant ADAM10 by fluorometric assay
50031497	12	ChEMBL_624108 (CHEMBL1103439)	Inhibition of ADAM17 in human MDA-MB-468 cells assessed as inhibition of constitutive sALCAM release by ELISA
50034827	3	ChEMBL_2977 (CHEMBL620624)	Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]BRL-43694 as radioligand in rat posterior cortex
50034827	6	ChEMBL_62253 (CHEMBL675480)	Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand in rat striatum
50029679	3	ChEBML_161913	Inhibition of cAMP-dependent kinase (Protein kinase A)
50048387	1	ChEBML_208606	Inhibitory activity against HeLa cell Topoisomerase II
50031498	1	ChEMBL_624117 (CHEMBL1103448)	Inhibition of human recombinant cathepsin S expressed in baculovirus expression sytem after 15 mins by FRET assay
50031498	2	ChEMBL_624118 (CHEMBL1103449)	Inhibition of cathepsin S in human JY cells assessed as accumulation of invariant chain p10li after 24 hrs by Western blot analysis
50048388	1	ChEBML_142702	Compound was evaluated for binding affinity towards neurokinin NK1 receptor.
50048391	1	ChEMBL_48757 (CHEMBL857788)	Compound was tested for binding affinity against Cholecystokinin type B receptor in rat cortical membranes using L-365260 as the radioligand.
50048389	1	ChEBML_46140	Compound was evaluated for the inhibition of [3H]WIN-55212-2 binding in rat cerebellum membranes
50029668	2	ChEMBL_159623 (CHEMBL881019)	Inhibitory activity against HIV-1 protease
50048392	1	ChEBML_61648	Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand
50048392	2	ChEBML_61327	Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand
50048393	1	ChEBML_200348	Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex
50048393	2	ChEMBL_200348 (CHEMBL883526)	Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex
50034845	2	ChEBML_68565	Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes
50029747	12	ChEBML_153154	Inhibition of protein kinase C gamma
50029747	9	ChEBML_153134	Inhibition of protein kinase C delta
50048394	1	ChEBML_85064	Histamine H2 receptor antagonistic activity
50029751	6	ChEMBL_155206 (CHEMBL762823)	Inhibition of Phosphodiesterase 5 from human corpus cavernosum
50029751	7	ChEMBL_155364 (CHEMBL762509)	Inhibition of Phosphodiesterase 5 from rabbit platelets
50048395	1	ChEMBL_1955 (CHEMBL617562)	Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes
50048395	2	ChEBML_1955	Compound was tested for its ability to displace [3H]-5-HT binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes
50048395	3	ChEBML_2788	Compound was tested for its ability to displace [3H]mesulergine from 5-hydroxytryptamine 2C receptor in pig cortex
50048395	4	ChEBML_2582	Compound was tested for its ability to displace [3H]DOB from 5-hydroxytryptamine 2A receptor in rat cortex homogenates
50048395	5	ChEBML_1074	Compound was tested for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in pig cortex
50048395	7	ChEMBL_3165 (CHEMBL617810)	Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates
50048395	8	ChEMBL_1954 (CHEMBL617561)	Compound was tested for its ability to displace [125I]GTI binding to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes
50031500	1	ChEMBL_624362 (CHEMBL1107892)	Inhibition of human ERG by ion works assay
50031500	2	ChEMBL_624357 (CHEMBL1107887)	Antagonist activity at human recombinant histamine 3 receptor
50031501	1	ChEMBL_624363 (CHEMBL1107893)	Inhibition of mTOR
50031501	2	ChEMBL_624364 (CHEMBL1107894)	Inhibition of PI3Kalpha
50031502	2	ChEMBL_624367 (CHEMBL1107897)	Inhibition of mTOR
50031502	3	ChEMBL_624369 (CHEMBL1107899)	Inhibition of PI3Kalpha
50031502	4	ChEMBL_624374 (CHEMBL1107904)	Inhibition of P38alpha
50031502	5	ChEMBL_624375 (CHEMBL1107905)	Inhibition of LYN A
50031502	6	ChEMBL_624376 (CHEMBL1107906)	Inhibition of GSK3-beta
50031502	7	ChEMBL_624377 (CHEMBL1107907)	Inhibition of FGFR1
50031502	8	ChEMBL_624378 (CHEMBL1107908)	Inhibition of CDK2
50031502	9	ChEMBL_624379 (CHEMBL1107909)	Inhibition of ABL1
50031502	10	ChEMBL_624380 (CHEMBL1107910)	Inhibition of VEGFR2
50031502	11	ChEMBL_624381 (CHEMBL1107911)	Inhibition of RSK1
50031502	12	ChEMBL_624383 (CHEMBL1107913)	Inhibition of MK2
50031502	14	ChEMBL_624385 (CHEMBL1107915)	Inhibition of GSK3alpha
50031502	15	ChEMBL_624535 (CHEMBL1110584)	Inhibition of ERK2
50031502	17	ChEMBL_624537 (CHEMBL1110586)	Inhibition of SRC
50031502	18	ChEMBL_624538 (CHEMBL1110587)	Inhibition of ROCK1
50031502	19	ChEMBL_624539 (CHEMBL1110588)	Inhibition of PDGFRalpha
50031502	20	ChEMBL_624540 (CHEMBL1110589)	Inhibition of cMet
50031502	21	ChEMBL_624541 (CHEMBL1110590)	Inhibition of HCK
50031502	22	ChEMBL_624542 (CHEMBL1110591)	Inhibition of GCK
50048395	6	ChEBML_3165	Compound was tested for its ability to displace [3H]-Q-ICS 205-930 from 5-hydroxytryptamine 3 receptor in rat cortex homogenates
50048396	1	ChEBML_89096	Inhibitory activity against interleukin-8 receptor using [125I]IL8
50048392	3	ChEMBL_61648 (CHEMBL670172)	Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand
50048392	4	ChEMBL_61327 (CHEMBL670102)	Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand
50048397	1	ChEMBL_60539 (CHEMBL674347)	Binding affinity towards human Dopamine receptor D2 expressed in CHO cells by [125I]iodosulpiride displacement.
50048397	2	ChEMBL_62594 (CHEMBL673122)	Binding affinity towards human Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.
50034835	5	ChEMBL_64338 (CHEMBL675914)	Inhibition of Endothelin-converting enzyme of guinea pig lung membrane
50034837	4	ChEMBL_144316 (CHEMBL754361)	Inhibition of neutral endopeptidase in human umbilical vein endothelial cells
50031504	1	ChEMBL_624580 (CHEMBL1110629)	Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
50031504	2	ChEMBL_624581 (CHEMBL1110630)	Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
50031504	3	ChEMBL_624582 (CHEMBL1110631)	Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
50031504	4	ChEMBL_624583 (CHEMBL1110632)	Agonist activity at human S1P2 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
50031504	5	ChEMBL_624584 (CHEMBL1111544)	Agonist activity at human S1P3 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
50031504	6	ChEMBL_624585 (CHEMBL1111545)	Agonist activity at human S1P4 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
50031504	7	ChEMBL_624586 (CHEMBL1111546)	Agonist activity at human S1P5 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
50031505	1	ChEMBL_624587 (CHEMBL1111547)	Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric method
50031506	1	ChEMBL_624590 (CHEMBL1111550)	Antagonist activity at XIAP BIR3 domain by fluorescence polarization assay
50031506	2	ChEMBL_624591 (CHEMBL1111551)	Antagonist activity at ML-IAP MLXBIR3SG domain by fluorescence polarization assay
50031507	1	ChEMBL_624592 (CHEMBL1111552)	Inhibition of PARP1
50031508	1	ChEMBL_624608 (CHEMBL1111568)	Inhibition of human recombinant CYP3A4 assessed as biotransformation of 7-hydroxyquinoline to 7-benzyloxyquinoline measured every minute for 15 mins by fluorescence intensity assay
50031510	1	ChEMBL_624622 (CHEMBL1111582)	Inhibition of human recombinant CYP1A2
50031510	2	ChEMBL_624623 (CHEMBL1111583)	Inhibition of human recombinant CYP3A4
50031510	3	ChEMBL_624624 (CHEMBL1111584)	Inhibition of human recombinant CYP2D6
50031510	4	ChEMBL_624625 (CHEMBL1111585)	Inhibition of human recombinant CYP2C9
50031510	5	ChEMBL_624626 (CHEMBL1111586)	Inhibition of human recombinant CYP2C19
50031510	6	ChEMBL_624634 (CHEMBL1111594)	Inhibition of human recombinant GSK3-beta by kinetic assay
50031510	7	ChEMBL_624632 (CHEMBL1111592)	Inhibition of human ERG
50031510	8	ChEMBL_624633 (CHEMBL1111593)	Inhibition of GSK3-beta assessed as tau phosphorylation
50048398	1	ChEMBL_208603 (CHEMBL812056)	Inhibition of topoisomerase II purified from HeLa cells
50034839	4	ChEMBL_70160 (CHEMBL683380)	Inhibition of human platelet adhesion to fibrinogen
50048400	1	ChEMBL_162398 (CHEMBL769345)	Inhibition of protein kinase C(PKC)
50048401	1	ChEBML_223445	Inhibition of human pp60c-src SH3-SH2 domain binding to autophosphorylated EGFR.
50029766	7	ChEBML_27949	Inhibition of [3H]NECA specific binding against Adenosine A2 receptors of rat striatal membranes
50029766	8	ChEBML_27640	Compound was evaluated for inhibition of adenosine induced relaxation against guinea-pig aorta (Adenosine A2 receptor).
50034850	5	ChEBML_68572	Inhibition of mammalian Gamma-aminobutyric acid type B receptor (potent agonist)
50034850	4	ChEBML_68431	Inhibition of rat hippocampal Gamma-aminobutyric acid type B receptor (weak agonist)
50034851	4	ChEBML_105296	Compound was evaluated for its inhibitory activity against MevPP decarboxylase
50034852	3	ChEMBL_90102 (CHEMBL699699)	Compound was tested for inhibition of specific [3H]Ins(1,4,5)P3 binding to Inositol 1,4,5-trisphosphate receptor in rat cerebellar membranes.
50048402	1	ChEBML_32779	Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptor
50048402	10	ChEMBL_32779 (CHEMBL644363)	Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptor
50048402	11	ChEMBL_32783 (CHEMBL644529)	Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor
50048402	4	ChEBML_32778	Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Alpha-2 adrenergic receptor
50048402	5	ChEBML_32780	Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid where the polymer is anti-yohimbin MIPs for Alpha-2 adrenergic receptor
50048402	2	ChEBML_32781	Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor
50048402	6	ChEBML_32776	Alpha-2 adrenergic receptor binding activity was determined by displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-corynanthine MIPs
50048402	12	ChEMBL_32781 (CHEMBL644527)	Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor
50048402	8	ChEBML_32782	Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor
50048402	7	ChEBML_32783	Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor
50048402	9	ChEBML_32777	Alpha-2 adrenergic receptor binding activity was determined displacement of [3H]-yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-corynanthine MIPs
50048402	13	ChEMBL_32784 (CHEMBL644530)	Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor
50048402	3	ChEBML_32784	Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor
50048402	14	ChEMBL_32778 (CHEMBL644362)	Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Alpha-2 adrenergic receptor
50048402	15	ChEMBL_32782 (CHEMBL644528)	Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor
50048402	16	ChEMBL_32780 (CHEMBL644364)	Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid where the polymer is anti-yohimbin MIPs for Alpha-2 adrenergic receptor
50048403	1	ChEBML_143037	Binding affinity was carried out with NK 1 receptors from U-373MG human astrocytoma cell line
50048396	4	ChEMBL_89096 (CHEMBL696550)	Inhibitory activity against interleukin-8 receptor using [125I]IL8
50048396	3	ChEMBL_89095 (CHEMBL696549)	Compound was tested for inhibitory activity against Interleukin-8 receptor
50048404	1	ChEMBL_152909 (CHEMBL758631)	Inhibition of phosphatidylinositol 4-kinase
50034857	4	ChEMBL_143206 (CHEMBL752222)	Binding affinity against human NMB receptor was determined
50048405	1	ChEBML_2856	Compound was evaluated for displacement of [3H]mesulergine from cloned rat 5-hydroxytryptamine 2C receptor in transfected CHO-K1 cells.
50048405	2	ChEBML_2764	Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells
50048405	3	ChEBML_2889	Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells
50048405	4	ChEMBL_2536 (CHEMBL616886)	Compound was evaluated for displacement of [3H]ketanserin from human cloned 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells
50048405	5	ChEBML_2536	Compound was evaluated for displacement of [3H]ketanserin from human cloned 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells
50048405	7	ChEMBL_2537 (CHEMBL616887)	Displacement of [3H]-ketanserin from human cloned 5-hydroxytryptamine 2A receptor expressed in CHO-K1 cells.
50048405	6	ChEMBL_2554 (CHEMBL857979)	Compound was evaluated for displacement of [3H]ketanserin from cloned rat 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells.
50048405	8	ChEMBL_2764 (CHEMBL617761)	Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells
50048405	9	ChEMBL_2889 (CHEMBL617791)	Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells
50048405	10	ChEMBL_2856 (CHEMBL617497)	Compound was evaluated for displacement of [3H]mesulergine from cloned rat 5-hydroxytryptamine 2C receptor in transfected CHO-K1 cells.
50031512	1	ChEMBL_625100 (CHEMBL1112549)	Inhibition of PDE4B3 expressed in CHO cells assessed as isoproterenol-induced [125I]cAMP accumulation after 15 mins by scintillation counting
50031512	2	ChEMBL_625101 (CHEMBL1112550)	Inhibition of PDE4D4 expressed in CHO cells assessed as isoproterenol-induced [125I]cAMP accumulation after 15 mins by scintillation counting
50031512	3	ChEMBL_625097 (CHEMBL1112546)	Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting
50031512	4	ChEMBL_625098 (CHEMBL1112547)	Displacement of [methyl-3H]rolipram from PDE4D4 expressed in CHO cells after 1 hr by scintillation counting
50031513	1	ChEMBL_625110 (CHEMBL1114348)	Inhibition of ovine COX1 by enzyme immuno assay
50031513	2	ChEMBL_625111 (CHEMBL1114349)	Inhibition of human recombinant COX2 by enzyme immuno assay
50031514	1	ChEMBL_625139 (CHEMBL1115160)	Antagonist activity at rat muscarinic M1 receptor
50031514	2	ChEMBL_625134 (CHEMBL1115155)	Antagonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization
50031514	3	ChEMBL_625133 (CHEMBL1115154)	Antagonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Gqi5 chimeric G-protein assessed as inhibition of acetylcholine-induced calcium mobilization
50031514	4	ChEMBL_625132 (CHEMBL1114370)	Antagonist activity at human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization
50031514	5	ChEMBL_625131 (CHEMBL1114369)	Antagonist activity at human muscarinic M4 receptor expressed in CHO-K1 cells coexpressing Gqi5 chimeric G-protein assessed as inhibition of acetylcholine-induced calcium mobilization
50031514	6	ChEMBL_625130 (CHEMBL1114368)	Antagonist activity at human muscarinic M5 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization
50031515	1	ChEMBL_625149 (CHEMBL1115170)	Inhibition of cathepsin D by FRET assay
50031515	3	ChEMBL_625147 (CHEMBL1115168)	Inhibition of BACE2 by FRET assay
50031516	1	ChEMBL_625154 (CHEMBL1115175)	Agonist activity at 5HT2C receptor
50031516	2	ChEMBL_625298 (CHEMBL1109736)	Binding affinity to 5HT2A receptor
50031516	3	ChEMBL_625299 (CHEMBL1109737)	Agonist activity at 5HT2B receptor
50031516	4	ChEMBL_625301 (CHEMBL1109739)	Agonist activity at 5HT2A receptor
50031516	5	ChEMBL_625151 (CHEMBL1115172)	Binding affinity to 5HT2C receptor
50031516	6	ChEMBL_625152 (CHEMBL1115173)	Binding affinity to 5HT2B receptor
50031517	1	ChEMBL_625337 (CHEMBL1111711)	Inhibition of human ERG expressed in CHO cells by automated patch clamp electrophysiology assay
50031517	2	ChEMBL_625339 (CHEMBL1111713)	Inhibition of HDAC2 expressed in baculovirus system by fluorescent assay
50031517	3	ChEMBL_625340 (CHEMBL1111714)	Inhibition of FLAG-tagged HDAC3 expressed in HEK293 cells by fluorescent assay
50031517	4	ChEMBL_625341 (CHEMBL1111715)	Inhibition of HDAC4 expressed in baculovirus system by fluorescent assay
50031517	5	ChEMBL_625342 (CHEMBL1111716)	Inhibition of FLAG-tagged HDAC6 expressed in HEK293 cells by fluorescent assay
50031517	6	ChEMBL_625343 (CHEMBL1111717)	Inhibition of HDAC8 expressed in baculovirus system by fluorescent assay
50031517	7	ChEMBL_625334 (CHEMBL1111708)	Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay
50031518	1	ChEMBL_625597 (CHEMBL1110678)	Inhibition of human recombinant renin in human citreated-plasma
50031518	2	ChEMBL_625610 (CHEMBL1112561)	Inhibition of CYP3A4 after 30 mins
50031518	3	ChEMBL_625596 (CHEMBL1110677)	Inhibition of human recombinant renin in PBS buffer at pH 7.4
50031519	1	ChEMBL_625624 (CHEMBL1112575)	Inhibition of human recombinant DAPK3
50031520	1	ChEMBL_625829 (CHEMBL1109765)	Binding affinity to OX1 receptor by radioligand displacement assay
50031520	2	ChEMBL_625830 (CHEMBL1109766)	Binding affinity to OX2 receptor by radioligand displacement assay
50031520	3	ChEMBL_625831 (CHEMBL1109767)	Antagonist activity at OX1 receptor assessed as inhibition of calcium flux by FLIPR assay
50031520	4	ChEMBL_625832 (CHEMBL1109768)	Antagonist activity at OX2 receptor assessed as inhibition of calcium flux by FLIPR assay
50031521	1	ChEMBL_625852 (CHEMBL1109788)	Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay
50031521	2	ChEMBL_625853 (CHEMBL1109789)	Inhibition of human Pin1 by whole cell assay
50031522	1	ChEMBL_625877 (CHEMBL1110717)	Antagonist activity at CCR5 receptor expressed in CHO cells assessed as inhibition of RANTES-induced [32S]GTPgammaS binding
50031523	1	ChEMBL_625879 (CHEMBL1114312)	Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay
50031523	2	ChEMBL_625884 (CHEMBL1115110)	Displacement of fluorophosphate-rhodamine from recombinant RBBP9 transfected in mouse brain membrane proteomes after 30 mins by SDS-PAGE gel fluorescence assay
50031524	1	ChEMBL_626140 (CHEMBL1116103)	Inhibition of human DGAT1 expressed in baculovirus infected Sf9 cells using [14C]oleoyl-CoA after 15 mins by TLC analysis
50031524	2	ChEMBL_626141 (CHEMBL1116104)	Inhibition of DGAT1 in mouse C2C12 cells assessed as suppression of [14C]triglyceride accumulation pretreated for 20 mins before [14C]oleic acid challenge measured after 20 mins by TLC analysis
50031525	1	ChEMBL_626161 (CHEMBL1117018)	Inhibition of human CXCR4
50031526	1	ChEMBL_626172 (CHEMBL1117029)	Displacement of [3H]LSD from 5HT6 receptor in humanHeLa cells after 120 mins
50031526	2	ChEMBL_626173 (CHEMBL1117030)	Antagonist activity at human 5HT6 receptor in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation pretreated for 15 mins before serotonin challenge measured after 30 mins
50031526	3	ChEMBL_626175 (CHEMBL1117032)	Antagonist activity at human 5HT2B receptor in HEK293 cells assessed as inhibition of alpha-ME-5-HT-induced cAMP accumulation pretreated for 15 secs before alphaME-5-HT addition by Fura-2AM dye based spectrofluorimetry
50031526	4	ChEMBL_626176 (CHEMBL1117033)	Inhibition of human recombinant ERG by patch clamp assay
50031527	2	ChEMBL_626181 (CHEMBL1117038)	Agonist activity at human MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	4	ChEMBL_626182 (CHEMBL1117039)	Agonist activity at human MC1R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031527	6	ChEMBL_626187 (CHEMBL1107121)	Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells
50031527	9	ChEMBL_626192 (CHEMBL1107126)	Agonist activity at rat MC4R expressed in CHO cells assessed as stimulation of intracellular cAMP accumulation
50031528	1	ChEMBL_626764 (CHEMBL1106333)	Inhibition of human recombinant carbonic anhydrase1 after 15 mins by stopped flow carbon dioxide hydrase assay method
50031528	2	ChEMBL_626765 (CHEMBL1106334)	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydrase assay method
50031529	1	ChEMBL_627012 (CHEMBL1103668)	Binding affinity to p38alpha by scintillation proximity assay
50031529	2	ChEMBL_627030 (CHEMBL1104512)	Binding affinity to p38beta
50031529	3	ChEMBL_627031 (CHEMBL1104513)	Binding affinity to PDGFRalpha
50031529	4	ChEMBL_627032 (CHEMBL1104514)	Binding affinity to RAF1
50031529	5	ChEMBL_627033 (CHEMBL1104515)	Inhibition of p38-gamma
50031529	6	ChEMBL_627034 (CHEMBL1104516)	Inhibition of p38delta
50031529	7	ChEMBL_627035 (CHEMBL1104517)	Inhibition of p38beta
50031529	8	ChEMBL_627036 (CHEMBL1104518)	Inhibition of human ERG by electrophysiology assay
50031529	9	ChEMBL_627039 (CHEMBL1104521)	Inhibition of CYP1A2 in human liver microsomes
50031529	10	ChEMBL_627040 (CHEMBL1104522)	Inhibition of CYP2C9 in human liver microsomes
50031529	11	ChEMBL_627041 (CHEMBL1104523)	Inhibition of CYP2C19 in human liver microsomes
50031529	12	ChEMBL_627042 (CHEMBL1104524)	Inhibition of CYP2D6 in human liver microsomes
50031529	13	ChEMBL_627006 (CHEMBL1103662)	Inhibition of CYP3A4 in human liver microsomes
50031529	14	ChEMBL_627007 (CHEMBL1103663)	Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay
50031529	15	ChEMBL_627013 (CHEMBL1103669)	Binding affinity to Kdr by scintillation proximity assay
50031529	16	ChEMBL_627014 (CHEMBL1103670)	Binding affinity to Lck by scintillation proximity assay
50031529	17	ChEMBL_627015 (CHEMBL1103671)	Binding affinity to c-Kit by scintillation proximity assay
50031529	18	ChEMBL_627010 (CHEMBL1103666)	Inhibition of CYP3A4
50031529	19	ChEMBL_627021 (CHEMBL1104503)	Inhibition of LPS-induced MK2 phosphorylation in human whole blood treated 30 mins before LPS challenge measured after 45 mins by FACS analysis
50029820	2	ChEMBL_53349 (CHEMBL664933)	Inhibition of human Dipeptidyl peptidase IV
50048406	1	ChEMBL_140328 (CHEMBL858425)	In vitro binding affinity for glycine site on the NMDA receptor.
50029830	2	ChEMBL_157739 (CHEMBL765177)	Inhibitory activity was evaluated against HIV protease
50029833	3	ChEMBL_158078 (CHEMBL764907)	Apparent binding constant Ki=Kon/Koff
50029833	7	ChEMBL_63831 (CHEMBL878397)	Apparent binding constant Ki=Kon/Koff
50029833	2	ChEMBL_64656 (CHEMBL674808)	Inhibition of human leukocyte elastase
50029833	4	ChEMBL_158223 (CHEMBL764240)	Inhibitory activity against porcine pancreatic elastase
50048407	1	ChEMBL_48107 (CHEMBL663094)	Evaluated in vitro for Cholecystokinin type B receptor affinity by measuring its ability to displace tritiated CCK-8S bound on guinea pig brain Cholecystokinin type B receptor
50048407	2	ChEMBL_47660 (CHEMBL657372)	Evaluated in vitro for Cholecystokinin type A receptor affinity by measuring its ability to displace tritiated CCK-8S bound on rat pancreas Cholecystokinin type A receptor
50031531	1	ChEMBL_627237 (CHEMBL1110806)	Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031531	2	ChEMBL_627243 (CHEMBL1110812)	Inhibition of human ERG by electrophysiology assay
50031531	3	ChEMBL_627233 (CHEMBL1110802)	Agonist activity at human PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay
50031531	4	ChEMBL_627238 (CHEMBL1110807)	Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031531	5	ChEMBL_627242 (CHEMBL1110811)	Inhibition of CYP2C9
50031531	6	ChEMBL_627234 (CHEMBL1110803)	Agonist activity at human PPARgamma LBD (176-477) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay
50031531	7	ChEMBL_627244 (CHEMBL1111742)	Agonist activity at full length human PPARalpha expressed in HepG2 cells co-transfected with pBL-tk-luciferase by luciferase reporter gene assay
50031531	8	ChEMBL_627245 (CHEMBL1111743)	Agonist activity at full length human PPARgamma expressed in HepG2 cells co-transfected with pBL-tk-luciferase by luciferase reporter gene assay
50031531	9	ChEMBL_627247 (CHEMBL1111745)	Agonist activity at mouse PPARalpha LBD (167-469) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay
50031531	10	ChEMBL_627248 (CHEMBL1111746)	Agonist activity at syrian golden hamster PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay
50031531	11	ChEMBL_627249 (CHEMBL1111747)	Agonist activity at human PPARdelta by transactivation assay
50031531	12	ChEMBL_627454 (CHEMBL1116214)	Inhibition of human CYP1A2
50031531	13	ChEMBL_627455 (CHEMBL1116215)	Inhibition of human CYP2C8
50031531	14	ChEMBL_627456 (CHEMBL1116216)	Inhibition of human CYP2C9
50031531	15	ChEMBL_627457 (CHEMBL1116217)	Inhibition of human CYP2C19
50031531	16	ChEMBL_627458 (CHEMBL1116218)	Inhibition of human CYP2D6
50031531	17	ChEMBL_627459 (CHEMBL1116219)	Inhibition of human CYP3A4
50031532	1	ChEMBL_627482 (CHEMBL1111768)	Inhibition of human recombinant mitochondrial thymidine kinase 2 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting
50031532	2	ChEMBL_627479 (CHEMBL1111765)	Inhibition of HSV1 thymidine kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting
50031532	3	ChEMBL_627484 (CHEMBL1111770)	Inhibition of Drosophila melanogaster multifunctional deoxynucleoside kinase assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting
50031532	4	ChEMBL_627487 (CHEMBL1111773)	Uncompetitive inhibition of human recombinant mitochondrial thymidine kinase 2 using thymidine as substrate by Lineweaver-Burke plotting
50031532	5	ChEMBL_627481 (CHEMBL1111767)	Inhibition of human recombinant cytosolic thymidine kinase 1 assessed as inhibition of [methyl-3H]dThd phosphorylation after 30 mins by scintillation counting
50034863	4	ChEMBL_50193 (CHEMBL663486)	Tested for displacement of [3H]-L-364,718 from Cholecystokinin type A receptor in rat pancreas.
50034864	2	ChEMBL_199693 (CHEMBL802922)	Compound was tested for its ability to inhibit the binding to recombinant human Selectin E immobilized on SPA beads of radiolabeled HL60 cell membrane containing sLex.
50048408	1	ChEMBL_98650 (CHEMBL708874)	Compound was tested for its inhibitory activity against specific binding of [3H]LTD4 to guinea pig lung membrane.
50034865	7	ChEMBL_27824 (CHEMBL636714)	Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..
50048409	1	ChEMBL_200350 (CHEMBL807418)	Compound was tested for its inhibitory effect against somatostatin receptor in rat cortex membrane using [125I]Tyr3-octreotide as the radioligand
50048409	2	ChEMBL_200347 (CHEMBL807416)	Compound was tested for its inhibitory effect against somatostatin receptor in rat cortex membrane using [125I]Tyr3-octreotide as the radioligand
50048410	2	ChEBML_62592	Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cells using [3H]spiperone.
50031535	1	ChEMBL_627704 (CHEMBL1115284)	Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader
50031535	2	ChEMBL_627703 (CHEMBL1115283)	Inhibition of rat liver ACC1 after 7 mins by liquid scintillation counter
50048410	3	ChEMBL_60537 (CHEMBL674345)	Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3H]spiperone.
50048411	1	ChEMBL_3476 (CHEMBL619054)	Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes
50048411	2	ChEBML_3475	Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes
50048411	5	ChEMBL_3293 (CHEMBL619093)	Binding affinity for 5-hydroxytryptamine 4 receptor by displacement of [3H]GR-113808 from guinea pig brain striatum.
50048411	3	ChEBML_3293	Binding affinity for 5-hydroxytryptamine 4 receptor by displacement of [3H]GR-113808 from guinea pig brain striatum.
50048411	4	ChEBML_3390	Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of racemic [3H]zacopride from rat cortex
50048410	4	ChEMBL_62592 (CHEMBL673120)	Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cells using [3H]spiperone.
50031538	1	ChEMBL_627760 (CHEMBL1116182)	Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting
50031538	2	ChEMBL_627761 (CHEMBL1116183)	Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay
50031538	3	ChEMBL_627762 (CHEMBL1116184)	Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay relative to D-Tyr6-betaAla11-Phe13-Nle14-bombesin
50031538	4	ChEMBL_627763 (CHEMBL1116185)	Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay
50031538	5	ChEMBL_627764 (CHEMBL1116186)	Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay relative to D-Tyr6-betaAla11-Phe13-Nle14-bombesin
50031538	6	ChEMBL_627765 (CHEMBL1116187)	Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human NMB-R expressed in NFAT-CHO cells after 2 hrs by scintillation counting
50031538	7	ChEMBL_627766 (CHEMBL1116188)	Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human GRP-R expressed in NFAT-CHO cells after 2 hrs by scintillation counting
50031538	8	ChEMBL_627767 (CHEMBL1116189)	Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from rat BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting
50031538	9	ChEMBL_627768 (CHEMBL1116190)	Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from mouse BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting
50031540	1	ChEMBL_624184 (CHEMBL1105216)	Inhibition of wild type EGFR by HTRF assay
50031541	1	ChEMBL_624431 (CHEMBL1108759)	Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA
50031541	2	ChEMBL_624430 (CHEMBL1108758)	Inhibition of cathepsin D by FRET assay
50031541	3	ChEMBL_624428 (CHEMBL1108756)	Inhibition of BACE2 by FRET assay
50048411	6	ChEMBL_3475 (CHEMBL618891)	Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes
50029866	6	ChEMBL_202913 (CHEMBL807663)	Inhibition of type-2 human steroid 5-alpha-reductase.
50029872	5	ChEMBL_45056 (CHEMBL875546)	Dissociation constant was determined against human carbonic anhydrase II at 37 degree Centigrade in experiment 2
50048412	1	ChEMBL_152661 (CHEMBL881012)	Pseudo-first order rate constant for inhibition of thiol-dependent papain enzyme
50031542	1	ChEMBL_624452 (CHEMBL1108780)	Inhibition of dopamine D3 (receptor)
50031542	2	ChEMBL_624453 (CHEMBL1108781)	Inhibition of dopamine D4 (receptor)
50031542	3	ChEMBL_624449 (CHEMBL1108777)	Inhibition of 5HT6 (receptor)
50031542	5	ChEMBL_624440 (CHEMBL1108768)	Displacement of [3H]astemizole from human ERG
50031542	6	ChEMBL_624441 (CHEMBL1108769)	Inhibition of human recombinant CYP1A2 by P450-Glo method
50031542	7	ChEMBL_624442 (CHEMBL1108770)	Inhibition of human recombinant CYP2C9 by P450-Glo method
50031542	8	ChEMBL_624443 (CHEMBL1108771)	Inhibition of human recombinant CYP2C19 by P450-Glo method
50031542	9	ChEMBL_624444 (CHEMBL1108772)	Inhibition of human recombinant CYP2D6 by P450-Glo method
50031542	10	ChEMBL_624445 (CHEMBL1108773)	Inhibition of human recombinant CYP3A4 by P450-Glo method
50031542	11	ChEMBL_624446 (CHEMBL1108774)	Inhibition of 5HT1A (receptor)
50031542	12	ChEMBL_624447 (CHEMBL1108775)	Inhibition of 5HT2A (receptor)
50029884	7	ChEMBL_1157 (CHEMBL616102)	Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes by [3H]8-OH-DPAT displacement.
50048413	1	ChEMBL_86928 (CHEMBL697537)	Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand
50031542	15	ChEMBL_624448 (CHEMBL1108776)	Inhibition of 5HT2C (receptor)
50031542	16	ChEMBL_624450 (CHEMBL1108778)	Inhibition of 5HT7 (receptor)
50031542	17	ChEMBL_624451 (CHEMBL1108779)	Inhibition of dopamine D2 (receptor)
50031543	1	ChEMBL_624459 (CHEMBL1108787)	Inhibition of mTOR
50031543	2	ChEMBL_624465 (CHEMBL1108793)	Inhibition of PI3Kgamma
50031543	3	ChEMBL_624680 (CHEMBL1112472)	Inhibition of human ERG
50031543	4	ChEMBL_624681 (CHEMBL1112473)	Inhibition of CYP1A2
50031543	6	ChEMBL_624683 (CHEMBL1112475)	Inhibition of CYP2B6
50031543	7	ChEMBL_624684 (CHEMBL1112476)	Inhibition of CYP2C8
50031543	8	ChEMBL_624685 (CHEMBL1112477)	Inhibition of CYP2C9
50031543	9	ChEMBL_624686 (CHEMBL1112478)	Inhibition of CYP2C19
50031543	10	ChEMBL_624687 (CHEMBL1112479)	Inhibition of CYP2D6
50031543	11	ChEMBL_624688 (CHEMBL1112480)	Inhibition of CYP3A4
50031543	12	ChEMBL_624460 (CHEMBL1108788)	Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay
50031544	1	ChEMBL_624711 (CHEMBL1112503)	Inhibition of rat brain mTOR assessed as p70S6k-GST protein phosphorylation after 30 mins by ELISA
50031544	2	ChEMBL_624710 (CHEMBL1112502)	Inhibition of PI3Kalpha assessed as PIP3 accumulation after 24 mins by HTRF assay
50031545	1	ChEMBL_624727 (CHEMBL1113403)	Antagonist activity at AR in human MDA-kb2 cells co-transfected with MMTV-luc assessed as decrease in DHT-induced luciferase activity by reporter gene assay
50031546	1	ChEMBL_624923 (CHEMBL1107046)	Inhibition of p38alpha assessed as gamma-[33P]ATP incorporation by scintillation counting
50031546	2	ChEMBL_624924 (CHEMBL1107047)	Inhibition of p38beta assessed as gamma-[33P]ATP incorporation by scintillation counting
50031546	3	ChEMBL_624932 (CHEMBL1107055)	Inhibition of human ERG by patch clamp technique
50031547	1	ChEMBL_624944 (CHEMBL1107067)	Agonist activity at human GPR119 receptor by cAMP mobilization assay
50031547	2	ChEMBL_624942 (CHEMBL1107065)	Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-transfected with 6CRE-Luc after 5 hrs by luciferase reporter gene assay
50031548	1	ChEMBL_624959 (CHEMBL1107082)	Displacement of [3H]melatonin from human melatonin MT1 receptor expressed in CHO cells after 60 mins by scintillation counting
50031548	2	ChEMBL_624960 (CHEMBL1107083)	Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting
50031549	1	ChEMBL_625162 (CHEMBL1115183)	Binding affinity at histamine H1 receptor
50031549	2	ChEMBL_625163 (CHEMBL1115184)	Binding affinity at M1 receptor
50031549	3	ChEMBL_625164 (CHEMBL1115185)	Inhibition of CYP2D6
50031549	4	ChEMBL_625165 (CHEMBL1115186)	Inhibition of human ERG by patch clamp assay
50031549	5	ChEMBL_625166 (CHEMBL1115187)	Displacement of dofetilide from human ERG
50031549	6	ChEMBL_625167 (CHEMBL1115188)	Inhibition of CYP3A4
50031550	1	ChEMBL_625172 (CHEMBL1117042)	Inhibition of rat brain mTOR assessed as p70S6K-GST protein phosphorylation after 30 mins by ELISA
50031551	1	ChEMBL_625415 (CHEMBL1116964)	Inhibition of human recombinant COMT by microplate screening assay
50031552	1	ChEMBL_625447 (CHEMBL1116996)	Inhibition of ABL
50031552	2	ChEMBL_625437 (CHEMBL1116986)	Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate
50031552	3	ChEMBL_625434 (CHEMBL1116983)	Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate
50031552	4	ChEMBL_625435 (CHEMBL1116984)	Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate
50031552	5	ChEMBL_625436 (CHEMBL1116985)	Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate
50031553	1	ChEMBL_625475 (CHEMBL1105278)	Inhibition of human recombinant beta-glucocerebrosidase assessed as p-nitrophenolate accumulation preincubated for 10 mins before p-nitrophenyl-beta-d-glucopyranoside addition measured after 10 mins by fluorescence spectrophotometry
50031553	2	ChEMBL_625476 (CHEMBL1105279)	Inhibition of human recombinant beta-glucocerebrosidase preincubated for 10 mins before 4-methylumbelliferyl-betaD-glucopyranoside addition measured after 10 mins by spectrophotometry
50031554	1	ChEMBL_625709 (CHEMBL1103539)	Agonist activity at TLR8
50031554	2	ChEMBL_625707 (CHEMBL1103537)	Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay
50031555	1	ChEMBL_625917 (CHEMBL1115143)	Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scintillation counting
50031555	2	ChEMBL_625918 (CHEMBL1115144)	Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintillation counting
50031555	3	ChEMBL_625920 (CHEMBL1115146)	Antagonist activity at human recombinant GNRH receptor assessed as inhibition of D-Trp6-GNRH-induced IP accumulation after 1 hr by rapid filtration assay
50031555	4	ChEMBL_625913 (CHEMBL1115139)	Antagonist activity at GNRH receptor in rat pituitary cells assessed as inhibition of D-Trp6-GnRH-induced LH accumulation after 3 hrs by RIA
50031556	1	ChEMBL_625944 (CHEMBL1103463)	Inhibition of CYP3A4 preincubated for 30 mins
50031557	1	ChEMBL_625952 (CHEMBL1103471)	Inhibition of 5-LOX-mediated LTB4 production in stimulated human neutrophile granulocytes after 10 mins by EIA
50031557	2	ChEMBL_625949 (CHEMBL1103468)	Inhibition of ram seminal vesicle COX1 assessed as PGE2 level by EIA
50031557	3	ChEMBL_625948 (CHEMBL1103467)	Inhibition of sheep placental cotyledens COX2 assessed as PGE2 level by EIA
50031558	1	ChEMBL_626234 (CHEMBL1108001)	Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
50031558	2	ChEMBL_626229 (CHEMBL1107996)	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux
50031558	3	ChEMBL_626233 (CHEMBL1108000)	Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry
50031558	4	ChEMBL_626228 (CHEMBL1107995)	Displacement of radiolabeled MIP1alpha from CCR1 receptor
50031558	5	ChEMBL_626227 (CHEMBL1107994)	Displacement of radiolabeled MCP1 from CCR2b receptor
50031558	6	ChEMBL_626226 (CHEMBL1107993)	Displacement of radiolabeled TARC from CCR4 receptor
50031558	7	ChEMBL_626224 (CHEMBL1107991)	Displacement of radiolabeled MIP1beta from CCR5 receptor
50031558	8	ChEMBL_626225 (CHEMBL1107992)	Displacement of radiolabeled IL8 from CXCR1 receptor
50031558	9	ChEMBL_626222 (CHEMBL1107989)	Displacement of radiolabeled IL8 from CXCR2 receptor
50048414	1	ChEMBL_143039 (CHEMBL750288)	Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chinese hamster ovary cells
50048415	1	ChEMBL_66549 (CHEMBL677816)	Binding affinity for rat estrogen receptor
50029916	14	ChEMBL_2117 (CHEMBL617201)	In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor
50029916	11	ChEMBL_216137 (CHEMBL874089)	In vitro binding affinity of compound against neuronal alpha-2 adrenergic receptor
50029916	12	ChEMBL_33249 (CHEMBL643529)	In vitro binding affinity of compound against Alpha-1 adrenergic receptor
50029916	13	ChEMBL_139924 (CHEMBL748592)	In vitro binding affinity of compound against muscarinic neuronal receptor
50029923	7	ChEMBL_155568 (CHEMBL762680)	In vitro inhibition of phosphodiesterase (PDE III).
50029923	6	ChEMBL_155545 (CHEMBL759913)	In vitro inhibition of phosphodiesterase (PDE I).
50031561	1	ChEMBL_625987 (CHEMBL1103506)	Antagonist activity of rat KCC2 transporter expressed in human SK-Hep cells assessed as inhibition of N-ethylmaleimide-mediated Rb+ influx after 10 mins by atomic absorption spectroscopy
50031562	1	ChEMBL_626017 (CHEMBL1106145)	Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1
50031562	2	ChEMBL_626018 (CHEMBL1106146)	Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production
50031562	3	ChEMBL_626019 (CHEMBL1106147)	Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in the presence of 50% human serum
50031563	1	ChEMBL_626038 (CHEMBL1106166)	inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay
50031564	1	ChEMBL_626043 (CHEMBL1106171)	Inhibition of Klebsiella pneumoniae beta-lactamase SHV5
50031564	2	ChEMBL_626044 (CHEMBL1106172)	Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC
50031564	3	ChEMBL_626045 (CHEMBL1106173)	Inhibition of Enterobacter colacae P99 Beta-lactamase
50031564	4	ChEMBL_626046 (CHEMBL1106174)	Inhibition of Acinetobacter baumannii beta-lactamase OXA40
50031565	1	ChEMBL_626309 (CHEMBL1104444)	Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting
50031566	1	ChEMBL_626546 (CHEMBL1108919)	Inhibition of human TLR2 expressed in HEK-Blue-4 cells assessed as induction of NF-kappaB by SEAP assay
50031567	1	ChEMBL_626548 (CHEMBL1108921)	Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of glucose uptake
50031567	2	ChEMBL_626547 (CHEMBL1108920)	Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake
50031568	1	ChEMBL_626591 (CHEMBL1109869)	Inhibition of mTOR
50031568	2	ChEMBL_626590 (CHEMBL1109868)	Inhibition of PI3Kgamma
50031568	3	ChEMBL_626589 (CHEMBL1109867)	Inhibition of PI3Kalpha
50031569	1	ChEMBL_626785 (CHEMBL1107232)	Inhibition of amino acid transport system xc-
50031570	1	ChEMBL_626795 (CHEMBL1107242)	Binding affinity to human EP2 receptor by radioligand displacement assay
50031570	2	ChEMBL_626796 (CHEMBL1107243)	Binding affinity to human EP4 receptor by radioligand displacement assay
50031570	3	ChEMBL_626797 (CHEMBL1107244)	Binding affinity to human FP receptor by radioligand displacement assay
50031570	4	ChEMBL_626798 (CHEMBL1107245)	Binding affinity to human IP receptor by radioligand displacement assay
50031570	5	ChEMBL_626787 (CHEMBL1107234)	Displacement of [3H]PGE2 from human EP3 receptor in buffer
50031570	6	ChEMBL_626788 (CHEMBL1107235)	Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum
50031571	1	ChEMBL_626837 (CHEMBL1109908)	Inhibition of farnesyl protein transferase
50031571	2	ChEMBL_626858 (CHEMBL1110815)	Inhibition of Mycobacterium tuberculosis mycothiol-S-conjugate amidase
50031571	3	ChEMBL_626860 (CHEMBL1110817)	Inhibition of Saccharomyces cerevisiae acetolactate synthase
50031571	4	ChEMBL_626863 (CHEMBL1110820)	Inhibition of thioredoxin reductase 1
50031573	1	ChEMBL_627320 (CHEMBL1108112)	Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
50031573	2	ChEMBL_627321 (CHEMBL1108113)	Displacement of [33P]sphingosine-1-phosphate from human S1P3 receptor expressed in HEK293T cells after 60 mins by scintillation counting
50031573	3	ChEMBL_627322 (CHEMBL1108114)	Displacement of [33P]sphingosine-1-phosphate from human S1P4 receptor expressed in HEK293T cells after 60 mins by scintillation counting
50031573	4	ChEMBL_627323 (CHEMBL1108115)	Displacement of [33P]sphingosine-1-phosphate from human S1P5 receptor expressed in HEK293T cells after 60 mins by scintillation counting
50031573	5	ChEMBL_627326 (CHEMBL1108118)	Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
50029923	8	ChEMBL_156163 (CHEMBL760932)	Inhibition of phosphodiesterase 1 (PDE I)
50031573	6	ChEMBL_627327 (CHEMBL1108119)	Antagonist activity at human S1P3 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
50031574	1	ChEMBL_627337 (CHEMBL1108889)	Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay
50031574	2	ChEMBL_627338 (CHEMBL1108890)	Inhibition of human ERG
50031575	1	ChEMBL_627568 (CHEMBL1113574)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50031575	2	ChEMBL_627569 (CHEMBL1113575)	Displacement of [125I]-I-AB-MECA from human adenosine A3 receptor expressed in CHO cells
50031575	3	ChEMBL_627566 (CHEMBL1113572)	Displacement of [3H]R-PIA from adenosine A1 receptor in rat cerebral cortex membrane
50031575	4	ChEMBL_627567 (CHEMBL1113573)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane
50031576	1	ChEMBL_627600 (CHEMBL1113606)	Inhibition of Mycobacterium tuberculosis MshB expressed in Escherichia coli BL21 after 10 mins by HPLC analysis
50029924	5	ChEMBL_216165 (CHEMBL815336)	Tested for beta-1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right atrium of guinea pigs
50029926	3	ChEMBL_32554 (CHEMBL645689)	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cerebral cortex
50029930	4	ChEMBL_222787 (CHEMBL847115)	Inhibitory concentration against plasmin.
50029933	6	ChEMBL_213255 (CHEMBL821463)	Inhibition of phosphodiesterase 4
50029933	7	ChEMBL_213116 (CHEMBL818195)	Inhibition of bovine aorta phosphodiesterase 1
50048416	1	ChEMBL_211313 (CHEMBL818973)	Compound was evaluated for inhibition of tubulin polymerization using purified bovine brain tubulin, activity expressed as IC50
50031578	1	ChEMBL_623793 (CHEMBL1117076)	Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells
50031578	2	ChEMBL_623791 (CHEMBL1117074)	Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells
50031578	3	ChEMBL_623792 (CHEMBL1117075)	Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells
50031578	4	ChEMBL_623794 (CHEMBL1117077)	Antagonist activity at human cloned adenosine A2b receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation
50031579	1	ChEMBL_623798 (CHEMBL1117081)	Inhibition of B-Raf
50031579	2	ChEMBL_623805 (CHEMBL1117088)	Inhibition of IKK2
50031579	3	ChEMBL_623806 (CHEMBL1117089)	Inhibition of AKT
50031579	4	ChEMBL_623807 (CHEMBL1117090)	Inhibition of mTOR
50031579	5	ChEMBL_623808 (CHEMBL1117091)	Inhibition of ITK
50031579	6	ChEMBL_623809 (CHEMBL1117092)	Inhibition of PKCtheta
50031579	7	ChEMBL_623810 (CHEMBL1117093)	Inhibition of BTK
50031579	8	ChEMBL_623811 (CHEMBL1117094)	Inhibition of SRC
50031579	9	ChEMBL_623812 (CHEMBL1117095)	Inhibition of LYN
50031579	10	ChEMBL_623813 (CHEMBL1117096)	Inhibition of PDK1
50031579	11	ChEMBL_623814 (CHEMBL1117097)	Inhibition of LCK
50031579	12	ChEMBL_623815 (CHEMBL1117098)	Inhibition of PI3Kalpha
50031579	13	ChEMBL_623804 (CHEMBL1117087)	Inhibition of CDK4
50031580	1	ChEMBL_623965 (CHEMBL1116011)	Transactivation of human PPARgamma LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Luciferase reporter gene assay
50031580	2	ChEMBL_623970 (CHEMBL1116016)	Transactivation of human PPARalpha LBD expressed in african green monkey Cos7 cells co-transfected with fused GAL4-DBD after 14 hrs by Dual-Glo Luciferase reporter gene assay
50029970	2	ChEMBL_195201 (CHEMBL877837)	Inhibition of HIV-1 recombinant reverse transcriptase
50029978	3	ChEMBL_143040 (CHEMBL750289)	Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi
50029981	2	ChEMBL_48729 (CHEMBL661783)	Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells
50034891	4	ChEMBL_70115 (CHEMBL681650)	Inhibition of yeast Farnesyl transferase
50034891	5	ChEMBL_70112 (CHEMBL681647)	Inhibition of yeast Farnesyl transferase
50034891	6	ChEMBL_70114 (CHEMBL681649)	Inhibition of yeast Farnesyl transferase
50029985	15	ChEMBL_39018 (CHEMBL652671)	Compound was tested for inhibitory activity against Beta adrenergic receptor
50029985	13	ChEMBL_2216 (CHEMBL617162)	Compound was tested for inhibitory activity against 5-hydroxytryptamine 2 receptor
50048417	1	ChEBML_99483	Inhibition of leukotriene B4 (LTB4) binding to guinea pig spleen
50034901	4	ChEBML_225001	Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes
50034901	5	ChEBML_144902	Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells
50034901	7	ChEBML_225001	Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes
50034901	6	ChEBML_225002	Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes
50031582	1	ChEMBL_624246 (CHEMBL1106090)	Inhibition of human PI3Kalpha by fluorescence polarization format assay
50031582	2	ChEMBL_624247 (CHEMBL1106091)	Inhibition of mTOR by DELFIA
50030032	8	ChEMBL_71648 (CHEMBL687538)	Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).
50034904	4	ChEMBL_201641 (CHEMBL806542)	Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand
50034904	5	ChEMBL_61990 (CHEMBL670595)	Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligand
50034904	6	ChEMBL_142964 (CHEMBL750816)	Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using [3H]norepinephrine as radioligand
50030037	6	ChEMBL_32561 (CHEMBL645695)	Binding affinity against Alpha-1 adrenergic receptor in rat cortex using [3H]prazosin
50031585	1	ChEMBL_625244 (CHEMBL1106187)	Inhibition of AP-1 expressed in HEK293 cells assessed as PMA-stimulated transcriptional activation treated 24 hrs before PMA challenge measured after 20 to 24 hrs by luciferase reporter gene assay
50031586	1	ChEMBL_626085 (CHEMBL1110690)	Inhibition of PARP2 by top count scintillation counting
50031586	2	ChEMBL_625252 (CHEMBL1106195)	Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining
50031586	3	ChEMBL_625251 (CHEMBL1106194)	Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting
50031587	1	ChEMBL_626103 (CHEMBL1111629)	Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
50031587	2	ChEMBL_626104 (CHEMBL1111630)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium mobilization
50031589	1	ChEMBL_624738 (CHEMBL1113414)	Displacement of [3H](+)-pentazocine from rat brain membrane sigma 1receptor after 120 mins
50031590	2	ChEMBL_624739 (CHEMBL1113415)	Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminescence
50031591	1	ChEMBL_625530 (CHEMBL1107962)	Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting
50031591	2	ChEMBL_625531 (CHEMBL1107963)	Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells by scintillation counting in presence of 10 uM allosteric modulator PD-81723
50031591	3	ChEMBL_625534 (CHEMBL1107966)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting
50031591	4	ChEMBL_625535 (CHEMBL1107967)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting in presence of 10 uM allosteric modulator PD-81723
50031591	5	ChEMBL_625539 (CHEMBL1107971)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation
50031591	6	ChEMBL_625540 (CHEMBL1107972)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as stimulation of ERK1/2 phosphorylation in presence of 10 uM allosteric modulator PD-81723
50031591	7	ChEMBL_625544 (CHEMBL1109724)	Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at high affinity site by scintillation counting
50031591	8	ChEMBL_625545 (CHEMBL1109725)	Displacement of [3H]DPCX from human adenosine A1 receptor expressed in CHO cells at low affinity site by scintillation counting
50031591	9	ChEMBL_625528 (CHEMBL1107960)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting
50031592	1	ChEMBL_624964 (CHEMBL1107087)	Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter
50031593	1	ChEMBL_624970 (CHEMBL1108826)	Inhibition of 17beta-HSD3 in Sprague-Dawley rat testis microsomes
50031593	2	ChEMBL_624968 (CHEMBL1108824)	Inhibition of 17beta-HSD3 in Sprague-Dawley rat laydig cells
50031593	3	ChEMBL_624972 (CHEMBL1108828)	Inhibition of 17beta-HSD3 in human testis microsomes
50031593	4	ChEMBL_624973 (CHEMBL1108829)	Inhibition of 17beta-HSD3
50031594	2	ChEMBL_624976 (CHEMBL1108832)	Inhibition of human recombinant IGF1R expressed in Sf21 cells by time resolved fluorescence assay
50031594	3	ChEMBL_624979 (CHEMBL1108835)	Inhibition of EGFR intracellular phosphorylation in human A431 cells by ELISA
50031594	1	ChEMBL_624977 (CHEMBL1108833)	Inhibition of ErbB2 by time resolved fluorescence assay
50031594	4	ChEMBL_624982 (CHEMBL1108838)	Inhibition of AKT2
50031594	5	ChEMBL_624983 (CHEMBL1108839)	Inhibition of AKT3
50031594	6	ChEMBL_624984 (CHEMBL1109652)	Inhibition of Aurora1
50031594	8	ChEMBL_624986 (CHEMBL1109654)	Inhibition of Blk
50031594	10	ChEMBL_624988 (CHEMBL1109656)	Inhibition of CDC42BPA
50031594	11	ChEMBL_624989 (CHEMBL1109657)	Inhibition of CDK5
50031594	13	ChEMBL_624991 (CHEMBL1109659)	Inhibition of CHK2
50031594	14	ChEMBL_624992 (CHEMBL1109660)	Inhibition of CK1delta
50031594	15	ChEMBL_624994 (CHEMBL1109662)	Inhibition of cKit
50031594	16	ChEMBL_624995 (CHEMBL1109663)	Inhibition of CSF1R
50031594	17	ChEMBL_624996 (CHEMBL1109664)	Inhibition of DyrK1A
50031594	18	ChEMBL_624997 (CHEMBL1109665)	Inhibition of EphA2
50031594	19	ChEMBL_624998 (CHEMBL1109666)	Inhibition of ErRB4
50031594	20	ChEMBL_624999 (CHEMBL1109667)	Inhibition of ERK2
50031594	22	ChEMBL_625029 (CHEMBL1109697)	Inhibition of Fyn
50031594	23	ChEMBL_625028 (CHEMBL1109696)	Inhibition of GSK3alpha
50031594	24	ChEMBL_625027 (CHEMBL1109695)	Inhibition of GSK3-beta
50031594	26	ChEMBL_625025 (CHEMBL1109693)	Inhibition of ITK
50031594	27	ChEMBL_625024 (CHEMBL1109692)	Inhibition of JAK2
50031594	28	ChEMBL_625023 (CHEMBL1109691)	Inhibition of JAK3
50031594	29	ChEMBL_625022 (CHEMBL1109690)	Inhibition of KDR
50031594	30	ChEMBL_625021 (CHEMBL1109689)	Inhibition of LCK
50031594	31	ChEMBL_625020 (CHEMBL1109688)	Inhibition of Lyn
50031594	32	ChEMBL_625037 (CHEMBL1109705)	Inhibition of MK3
50031594	33	ChEMBL_625032 (CHEMBL1109700)	Inhibition of MST2
50031594	34	ChEMBL_625019 (CHEMBL1109687)	Inhibition of NeK2
50031594	35	ChEMBL_625018 (CHEMBL1109686)	Inhibition of p38delta
50031594	36	ChEMBL_625017 (CHEMBL1109685)	Inhibition of p38-gamma
50031594	37	ChEMBL_625015 (CHEMBL1109683)	Inhibition of PAK1
50031594	38	ChEMBL_625014 (CHEMBL1109682)	Inhibition of PAK4
50031594	39	ChEMBL_625013 (CHEMBL1109681)	Inhibition of PIM1
50031594	40	ChEMBL_625012 (CHEMBL1109680)	Inhibition of PIM2
50031594	41	ChEMBL_625010 (CHEMBL1109678)	Inhibition of PKCdelta
50031594	42	ChEMBL_625009 (CHEMBL1109677)	Inhibition of PKCgamma
50031594	44	ChEMBL_624977 (CHEMBL1108833)	Inhibition of ErbB2 by time resolved fluorescence assay
50031594	47	ChEMBL_625006 (CHEMBL1109674)	Inhibition of PLK1
50031594	48	ChEMBL_625005 (CHEMBL1109673)	Inhibition of PLK3
50031594	49	ChEMBL_625004 (CHEMBL1109672)	Inhibition of ROCK1
50031594	51	ChEMBL_625002 (CHEMBL1109670)	Inhibition of SGK
50031594	52	ChEMBL_625001 (CHEMBL1109669)	Inhibition of Src
50031594	53	ChEMBL_625000 (CHEMBL1109668)	Inhibition of Tyk2
50031594	54	ChEMBL_625033 (CHEMBL1109701)	Inhibition of TrkA
50031594	55	ChEMBL_625034 (CHEMBL1109702)	Inhibition of TrkB
50031594	56	ChEMBL_625035 (CHEMBL1109703)	Inhibition of ZipK
50031595	1	ChEMBL_625059 (CHEMBL1111662)	Inhibition of PI3Kbeta
50031595	2	ChEMBL_625060 (CHEMBL1111663)	Inhibition of PI3Kdelta
50031595	3	ChEMBL_625061 (CHEMBL1111664)	Inhibition of PI3Kgamma
50031595	4	ChEMBL_625038 (CHEMBL1109706)	Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay
50031595	5	ChEMBL_625039 (CHEMBL1109707)	Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay
50031596	1	ChEMBL_625728 (CHEMBL1103558)	Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting
50031597	1	ChEMBL_625738 (CHEMBL1104415)	Binding affinity at 5HT1A receptor
50031597	2	ChEMBL_625740 (CHEMBL1104417)	Displacement of [3H]5CT from 5HT7 receptor
50031598	1	ChEMBL_625741 (CHEMBL1104418)	Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter
50031598	2	ChEMBL_625742 (CHEMBL1104419)	Antagonist activity at mouse EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level after 1 hr by FDSS in presence of 1% bovine serum albumin
50031598	3	ChEMBL_625743 (CHEMBL1104420)	Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counter
50031598	4	ChEMBL_625744 (CHEMBL1104421)	Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation counter
50031598	5	ChEMBL_625745 (CHEMBL1104422)	Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counter
50031599	1	ChEMBL_625751 (CHEMBL1104428)	Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins
50031599	2	ChEMBL_625756 (CHEMBL1104433)	Inhibition of human ERG by FLIPR assay
50031599	3	ChEMBL_625752 (CHEMBL1104429)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin
50031599	4	ChEMBL_625750 (CHEMBL1104427)	Displacement of [125I]-MCP1 from CCR2 in human PBMC after 30 mins
50031599	5	ChEMBL_625753 (CHEMBL1104430)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.5 M bovine serum albumin
50031600	2	ChEMBL_625778 (CHEMBL1106228)	Antagonist activity at human mGluR5
50031600	3	ChEMBL_625779 (CHEMBL1106229)	Antagonist activity at rat mGluR1
50031601	1	ChEMBL_625805 (CHEMBL1107103)	Agonist activity at human recombinant alpha 1 GlyR expressed in HEK293 cells assessed as potentiation of glycine current by whole cell patch clamp assay
50031601	2	ChEMBL_625812 (CHEMBL1107110)	Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch clamp assay
50031602	1	ChEMBL_623291 (CHEMBL1113529)	Inhibition of PKB by radioactive kinase assay
50030052	6	ChEMBL_2247 (CHEMBL617192)	Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells.
50030052	7	ChEMBL_2246 (CHEMBL617191)	Tested in vitro for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor, expressed in cloned CHO cells
50030054	4	ChEMBL_219031 (CHEMBL819436)	Compound was tested for functional response of human metabotropic glutamate receptor mGluR5a expressed in AV-12 cells by measuring inhibitory concentration towards quisqualate induced PI hydrolysis
50048418	1	ChEMBL_46294 (CHEMBL661063)	The affinity of compound for the cannabinoid brain receptor was determined by measuring its ability to displace [3H]CP-55940 from its binding site in a membrane preparation
50030060	4	ChEMBL_34138 (CHEMBL644132)	Binding affinity towards Alpha-1 adrenergic receptor
50030060	5	ChEMBL_34069 (CHEMBL643926)	Binding affinity towards Alpha-2 adrenergic receptor
50031603	2	ChEMBL_623303 (CHEMBL1115226)	Inhibition of leucine aminopeptidase
50031603	3	ChEMBL_623304 (CHEMBL1115227)	Inhibition of aminopeptidase N
50030065	3	ChEMBL_70488 (CHEMBL676885)	Inhibitory activity against fibroblast growth factor receptor (FGFr)
50030066	17	ChEMBL_162400 (CHEMBL769347)	Inhibition of Protein kinase C
50030066	19	ChEMBL_161907 (CHEMBL767986)	Inhibition of Protein kinase A
50030066	12	ChEMBL_63613 (CHEMBL676157)	Inhibition of epidermal growth factor receptor (EGF-R) in A431 cells.
50034910	6	ChEMBL_53570 (CHEMBL663590)	inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogenates
50034912	3	ChEMBL_202119 (CHEMBL873256)	The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 0.025 mM NADPH
50030080	9	ChEMBL_2338 (CHEMBL617545)	Binding affinity against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells
50030080	12	ChEMBL_61746 (CHEMBL676053)	Inhibitory concentration against [3H]U-86170 binding to Dopamine receptor D2 expressed in CHO-K1 cells
50030080	10	ChEMBL_2337 (CHEMBL617544)	Binding affinity against [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor expressed in CHO-K1 cells
50030080	13	ChEMBL_62619 (CHEMBL678242)	Inhibitory concentration against [3H]spiperone binding to Dopamine receptor D3 expressed in CHO-K1 cells
50030080	14	ChEMBL_1135 (CHEMBL616080)	Binding affinity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells
50048419	3	ChEMBL_49901 (CHEMBL665889)	Tested for its selectivity against human Cholecystokinin type A receptor isolated from a human gallbladder cDNA library and stably transfected into a COSM6 cell line (n=1)
50048420	1	ChEMBL_62599 (CHEMBL674276)	Binding affinity, displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
50031605	2	ChEMBL_623471 (CHEMBL1113542)	Displacement of [3H]T0901317 from human LXRalpha ligand binding domain
50048420	2	ChEMBL_60545 (CHEMBL674353)	Binding affinity, displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50031605	4	ChEMBL_623471 (CHEMBL1113542)	Displacement of [3H]T0901317 from human LXRalpha ligand binding domain
50048421	1	ChEMBL_141178 (CHEMBL750675)	Inhibition of Candida albicans N-myristoyltransferase (NMT) with peptide GNAASARR-NH2 and [3H]myristoyl-CoA at 1 uM
50048421	2	ChEMBL_141307 (CHEMBL744115)	Tested for Inhibitory concentration against human N-myristoyltransferase (NMT) in radiochemical HPLC end point assay with peptide GNAASARR-NH2 and [3H]myristoyl-CoA radioligand at 1 uM
50048422	1	ChEMBL_36487 (CHEMBL856951)	Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 receptor) in rat liver membranes
50048423	1	ChEMBL_60538 (CHEMBL674346)	Ability to displace [125I]sulpiride from human Dopamine receptor D2, expressed in CHO cells
50048423	2	ChEMBL_62593 (CHEMBL673121)	Ability to displace [125I]-sulpiride from human Dopamine receptor D3, expressed in CHO cells
50031608	1	ChEMBL_623543 (CHEMBL1117065)	Inhibition of rat macrophages ACAT
50031609	1	ChEMBL_623279 (CHEMBL1112641)	Inhibition of recombinant human maltase glucoamylase N-terminal catalytic domain
50031610	1	ChEMBL_628224 (CHEMBL1109953)	Inhibition of AKT2
50031610	2	ChEMBL_628225 (CHEMBL1109954)	Inhibition of AKT3
50031610	3	ChEMBL_628226 (CHEMBL1109955)	Inhibition of GSK3-beta phosphorylation in human BT474 cells
50031610	4	ChEMBL_628223 (CHEMBL1109952)	Inhibition of AKT
50031611	1	ChEMBL_628240 (CHEMBL1110930)	Agonist activity at adenosine A2A receptor in fMLP-stimulated human neutrophils assessed as inhibition of superoxide production by colorimetric analysis
50031612	1	ChEMBL_628258 (CHEMBL1111846)	Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting
50031613	1	ChEMBL_628341 (CHEMBL1114610)	Inhibition of S-adenosyl-L-homocysteine hydrolase
50031613	2	ChEMBL_628342 (CHEMBL1114611)	Inhibition of S-adenosyl-L-homocysteine hydrolase in intact rat hepatocytes
50031613	3	ChEMBL_628338 (CHEMBL1114607)	Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting
50031614	2	ChEMBL_628397 (CHEMBL1116320)	Inhibition of human TANK1 C-terminal domain by trichloroacetic acid precipitation assay
50031614	4	ChEMBL_628374 (CHEMBL1115412)	Inhibition of human PARP3 by trichloroacetic acid precipitation assay
50031614	5	ChEMBL_628375 (CHEMBL1115413)	Inhibition of human PARP2 by trichloroacetic acid precipitation assay
50031615	2	ChEMBL_628511 (CHEMBL1104633)	Inhibition of ABL1
50031615	4	ChEMBL_628514 (CHEMBL1104636)	Inhibition of CDK2
50031615	6	ChEMBL_628516 (CHEMBL1104638)	Inhibition of CK1gamma1
50031615	7	ChEMBL_628517 (CHEMBL1104639)	Inhibition of ERK2
50031615	8	ChEMBL_628518 (CHEMBL1104640)	Inhibition of FYN
50031615	9	ChEMBL_628519 (CHEMBL1104641)	Inhibition of GCK
50031615	10	ChEMBL_628520 (CHEMBL1104642)	Inhibition of HCK
50031615	11	ChEMBL_628521 (CHEMBL1104643)	Inhibition of LYN A
50031615	12	ChEMBL_628522 (CHEMBL1104644)	Inhibition of MET
50031615	13	ChEMBL_628523 (CHEMBL1104645)	Inhibition of VEGFR2
50031615	14	ChEMBL_628524 (CHEMBL1104646)	Inhibition of MK2
50031615	15	ChEMBL_628525 (CHEMBL1104647)	Inhibition of p38alpha
50031615	16	ChEMBL_628526 (CHEMBL1104648)	Inhibition of PDGFRalpha
50031615	17	ChEMBL_628528 (CHEMBL1104650)	Inhibition of ROCK1
50031615	18	ChEMBL_628529 (CHEMBL1104651)	Inhibition of RSK1
50031615	19	ChEMBL_628530 (CHEMBL1104652)	Inhibition of SRC
50031615	21	ChEMBL_628491 (CHEMBL1104613)	Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells
50031615	22	ChEMBL_628563 (CHEMBL1104685)	Inhibition of PI3Kbeta
50031615	23	ChEMBL_628564 (CHEMBL1104686)	Inhibition of PI3Kdelta
50031615	24	ChEMBL_628492 (CHEMBL1104614)	Inhibition of PI3Kalpha by DELFIA assay
50031615	25	ChEMBL_628495 (CHEMBL1104617)	Inhibition of PI3Kgamma by DELFIA assay
50031615	26	ChEMBL_628496 (CHEMBL1104618)	Inhibition of ATR by DELFIA assay
50031616	1	ChEMBL_628577 (CHEMBL1105536)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production by LANCE assay
50031616	2	ChEMBL_627788 (CHEMBL1116250)	Binding affinity to 5HT1A receptor by radioligand displacement assay
50031616	3	ChEMBL_627789 (CHEMBL1116251)	Binding affinity to 5HT2C receptor by radioligand displacement assay
50031616	4	ChEMBL_627790 (CHEMBL1116252)	Binding affinity to human recombinant 5HT6 receptor by radioligand displacement assay
50031616	5	ChEMBL_627791 (CHEMBL1116253)	Binding affinity to 5HT7 receptor by radioligand displacement assay
50031616	6	ChEMBL_628575 (CHEMBL1105534)	Binding affinity to human recombinant 5HT6 receptor
50031616	7	ChEMBL_628576 (CHEMBL1105535)	Binding affinity to rat recombinant 5HT6 receptor
50031617	1	ChEMBL_627826 (CHEMBL1117203)	Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in presence of KKRYDREFLLGFQFIFA
50031617	2	ChEMBL_627828 (CHEMBL1117205)	Binding affinity to mouse eIF4E expressed in Escherichia coli by fluorescence time-synchronized titration method in absence of KKRYDREFLLGFQFIFA
50031618	1	ChEMBL_627831 (CHEMBL1117208)	Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex
50031618	2	ChEMBL_627832 (CHEMBL1117209)	Displacement of [3H]spiperone from dopamine D2 receptor in rat brain cerebral cortex
50031618	3	ChEMBL_627830 (CHEMBL1117207)	Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex
50031619	1	ChEMBL_627877 (CHEMBL1103693)	Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Wistar rat brain synaptosomal membrane after 120 mins by scintillation counting
50031620	1	ChEMBL_627900 (CHEMBL1103716)	Inhibition of aldose reductase
50031621	1	ChEMBL_627903 (CHEMBL1103719)	Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells
50031621	2	ChEMBL_627905 (CHEMBL1103721)	Inhibition of AKT
50031621	3	ChEMBL_627906 (CHEMBL1103722)	Inhibition of p70S6K
50031622	1	ChEMBL_627927 (CHEMBL1104578)	inhibition of electric eel AChE by Ellman's method
50031622	2	ChEMBL_627928 (CHEMBL1104579)	inhibition of equine serum BuChE by Ellman's method
50031623	1	ChEMBL_628125 (CHEMBL1108136)	Activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on glutamate/trichloromethiazide-induced current
50031623	2	ChEMBL_628126 (CHEMBL1108137)	Activity at recombinant GluA2 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on glutamate/trichloromethiazide-induced current
50031623	3	ChEMBL_628127 (CHEMBL1108138)	Inhibition of recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch clamp electrophysiological assay
50031623	4	ChEMBL_628128 (CHEMBL1108139)	Inhibition of recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current by patch clamp electrophysiological assay
50031623	5	ChEMBL_628136 (CHEMBL1108147)	Inhibition of recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	6	ChEMBL_628137 (CHEMBL1108148)	Inhibition of recombinant GluA3 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	8	ChEMBL_628134 (CHEMBL1108145)	Activity at recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as effect of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	10	ChEMBL_628148 (CHEMBL1108953)	Inhibition of rat recombinant GluA1 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current
50031623	11	ChEMBL_628149 (CHEMBL1108954)	Inhibition of rat recombinant GluA3 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current
50031623	12	ChEMBL_628150 (CHEMBL1108955)	Inhibition of rat recombinant GluA4 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current
50031623	13	ChEMBL_628143 (CHEMBL1108154)	Inhibition of rat recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current
50031623	15	ChEMBL_628146 (CHEMBL1108951)	Inhibition of recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes assessed as inhibition of 100 uM glutamate-induced current
50031623	17	ChEMBL_628111 (CHEMBL1108122)	Activity at human recombinant GluA2 flip isoform expressed in HEK203 cells assessed as blocked of receptor desensitization
50031623	18	ChEMBL_628112 (CHEMBL1108123)	Activity at human recombinant GluA2 flop isoform expressed in HEK203 cells assessed as blocked of receptor desensitization
50031623	19	ChEMBL_628140 (CHEMBL1108151)	Inhibition of GluA1 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	20	ChEMBL_628141 (CHEMBL1108152)	Inhibition of GluA3 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	21	ChEMBL_628142 (CHEMBL1108153)	Inhibition of GluA4 receptor expressed in Xenopus oocytes assessed as inhibition of 100 uM kainate-induced current by patch clamp electrophysiological assay
50031623	22	ChEMBL_628001 (CHEMBL1105522)	Agonist activity at rat recombinant GluA1 receptor flip isoform expressed in HEK293 cells assessed as effect on cyclothiazide-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	23	ChEMBL_628002 (CHEMBL1105523)	Agonist activity at rat recombinant GluA2 receptor flip isoform expressed in HEK293 cells assessed as effect on cyclothiazide-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	24	ChEMBL_628003 (CHEMBL1105524)	Agonist activity at rat recombinant GluA3 receptor flip isoform expressed in HEK293 cells assessed as effect on cyclothiazide-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	25	ChEMBL_628004 (CHEMBL1105525)	Agonist activity at rat recombinant GluA4 receptor flip isoform expressed in HEK293 cells assessed as effect on cyclothiazide-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	27	ChEMBL_628420 (CHEMBL1117247)	Agonist activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP
50031623	28	ChEMBL_628421 (CHEMBL1117248)	Agonist activity at recombinant GluA2 receptor flop isoform expressed in Xenopus oocytes co-expressing gamma2-TARP
50031623	29	ChEMBL_628422 (CHEMBL1117249)	Agonist activity at recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes co-expressing gamma2-TARP
50031623	30	ChEMBL_627980 (CHEMBL1105501)	Agonist activity at rat recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes
50031623	31	ChEMBL_627981 (CHEMBL1105502)	Agonist activity at rat recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes
50031623	32	ChEMBL_627998 (CHEMBL1105519)	Agonist activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes
50031623	33	ChEMBL_627982 (CHEMBL1105503)	Agonist activity at recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes
50031623	34	ChEMBL_627984 (CHEMBL1105505)	Agonist activity at recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes
50031623	35	ChEMBL_627983 (CHEMBL1105504)	Agonist activity at recombinant GluA2 receptor flop isoform expressed in Xenopus oocytes
50031623	38	ChEMBL_627999 (CHEMBL1105520)	Agonist activity at recombinant GluA3 receptor flip isoform expressed in Xenopus oocytes
50031623	39	ChEMBL_628005 (CHEMBL1105526)	Agonist activity at recombinant GluA2 receptor flip isoform expressed in Xenopus oocytes
50031623	42	ChEMBL_628408 (CHEMBL1117235)	Activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-induced current by voltage-clamp electrophysiological assay
50031623	43	ChEMBL_628409 (CHEMBL1117236)	Activity at recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-induced current by voltage-clamp electrophysiological assay
50031623	44	ChEMBL_628114 (CHEMBL1108125)	Activity at human recombinant GluA1 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	45	ChEMBL_628115 (CHEMBL1108126)	Activity at human recombinant GluA2 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	46	ChEMBL_628116 (CHEMBL1108127)	Activity at human recombinant GluA2 receptor flop isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	47	ChEMBL_628117 (CHEMBL1108128)	Activity at human recombinant GluA3 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay
50031623	48	ChEMBL_627976 (CHEMBL1105497)	Agonist activity at rat recombinant GluA3 receptor expressed in Xenopus oocytes
50031623	49	ChEMBL_627975 (CHEMBL1105496)	Agonist activity at rat recombinant GluA1 receptor expressed in Xenopus oocytes
50031623	50	ChEMBL_627978 (CHEMBL1105499)	Agonist activity at recombinant GluA1 receptor expressed in Xenopus oocytes
50031623	51	ChEMBL_627979 (CHEMBL1105500)	Agonist activity at recombinant GluA3 receptor expressed in Xenopus oocytes
50031623	54	ChEMBL_627990 (CHEMBL1105511)	Agonist activity at GluA1 receptor
50031623	55	ChEMBL_627991 (CHEMBL1105512)	Agonist activity at GluA2 receptor
50031623	56	ChEMBL_627992 (CHEMBL1105513)	Agonist activity at GluA3 receptor
50034916	3	ChEMBL_70858 (CHEMBL680358)	Concentration of compound that induced 50% of the maximal contraction in guinea pig gallbladder tissue when tested in vitro
50031624	1	ChEMBL_628629 (CHEMBL1106395)	Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphoglucose isomerase/glucose-6-phosphate dehydrogenase coupled assay
50030120	3	ChEMBL_211080 (CHEMBL812861)	Tested for the TYR(Me)2 arginine-vasopressin as radioligand at 0.3 nM in A7r5 cells
50031625	1	ChEMBL_628651 (CHEMBL1106417)	Inhibition of aminopeptidase N
50031626	1	ChEMBL_628071 (CHEMBL1107299)	Inhibition of human HDAC1 assessed as [3H]acetate release after 90 mins by scintillation counting
50031626	2	ChEMBL_628072 (CHEMBL1107300)	Inhibition of MCL1 binding to Bak by FRET assay
50031627	1	ChEMBL_628088 (CHEMBL1107316)	Inhibition of thymidylate synthase
50031628	1	ChEMBL_628263 (CHEMBL1111851)	Inhibition of PAC3 homodimerization by protein fragment complementation assay
50048424	1	ChEMBL_155706 (CHEMBL760584)	Tested for its ability to inhibit the hydrolysis of cAMP by human monocyte cytosol phosphodiesterase
50031629	1	ChEMBL_628271 (CHEMBL1111859)	Inhibition of hyaluronidase
50031630	1	ChEMBL_628706 (CHEMBL1107362)	Inhibition of SGLT1 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation counting
50031630	2	ChEMBL_628707 (CHEMBL1107363)	Inhibition of SGLT2 transfected in african green monkey COS1 cells assessed as alpha-D-[U-14C]glucopyranoside uptake after 30 mins by scintillation counting
50030123	7	ChEMBL_33428 (CHEMBL648824)	Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.
50034922	7	ChEMBL_50195 (CHEMBL663488)	Inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane Cholecystokinin type A receptor
50034922	8	ChEMBL_48595 (CHEMBL662475)	Inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane Cholecystokinin type B receptor
50048425	1	ChEMBL_152902 (CHEMBL758625)	Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells
50031632	1	ChEMBL_628912 (CHEMBL1116281)	Binding affinity to human topoisomerase 2 alpha ATPase domain
50031634	1	ChEMBL_630280 (CHEMBL1108228)	Inhibition of human recombinant group 2A phospholipase A2 by fluorimetric assay
50031634	2	ChEMBL_630281 (CHEMBL1108229)	Inhibition of porcine group 1B phospholipase A2 by fluorimetric assay
50048426	1	ChEMBL_60531 (CHEMBL674942)	Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D2 expressed in CHO cell membranes
50048426	2	ChEMBL_62587 (CHEMBL673115)	Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D3 expressed in CHO cell membranes
50048427	2	ChEMBL_99778 (CHEMBL715966)	Antagonist effect in breast tissue was assayed by inhibition of estrogen stimulated MCF-7 cell proliferation
50048427	1	ChEBML_99778	Antagonist effect in breast tissue was assayed by inhibition of estrogen stimulated MCF-7 cell proliferation
50048428	3	ChEMBL_217013 (CHEMBL821548)	Activation of cAMP dependent protein kinase (PKA)
50048428	4	ChEMBL_17044 (CHEMBL630618)	Activation of cAMP dependent protein kinase (PKA)
50034924	2	ChEBML_215984	Inhibition of 125I-fibrinogen binding to alpha IIb beta-3 integrin as inhibition of activated platelets
50048429	1	ChEMBL_2436 (CHEMBL617325)	Tested in vitro for its ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat frontal cortex membranes
50048429	2	ChEMBL_60967 (CHEMBL671740)	Tested in vitro for its ability to inhibit [3H]spiperone binding to Dopamine receptor D2 in rat striatal membrane
50030145	12	ChEMBL_42226 (CHEMBL655519)	Inhibition of [Ca(2+)]/Calmodulin dependent kinase II
50030145	11	ChEMBL_161475 (CHEMBL770278)	Inhibition of casein kinase I
50030145	10	ChEMBL_162546 (CHEMBL768533)	Inhibition of protein kinase C
50048431	2	ChEMBL_50467 (CHEMBL658170)	Inhibition of DNA gyrase supercoiling in Escherichia coli.
50048431	1	ChEBML_50467	Inhibition of DNA gyrase supercoiling in Escherichia coli.
50048430	1	ChEMBL_199713 (CHEMBL802069)	Tested in vitro to inhibit cell adhesion of HL-60 cells to recombinant human soluble Selectin E
50041022	4	ChEBML_32631	Antagonistic affinity against native rat cortex Alpha-2 adrenergic receptor
50008073	2	ChEBML_27994	Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE)
50008082	2	ChEBML_68750	Compound was tested for inhibitory potency against gamma-Glutamyl Hydrolase.
50031636	1	ChEMBL_631008 (CHEMBL1110979)	Inhibition of CYP3A4
50031636	2	ChEMBL_631009 (CHEMBL1110980)	Inhibition of CYP2C8
50031636	3	ChEMBL_631010 (CHEMBL1110981)	Inhibition of CYP2C9
50031636	4	ChEMBL_631011 (CHEMBL1110982)	Inhibition of CYP2D6
50031636	5	ChEMBL_631012 (CHEMBL1110983)	Activation of human PXR
50031636	6	ChEMBL_630794 (CHEMBL1105736)	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells
50031636	7	ChEMBL_630795 (CHEMBL1105737)	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
50048432	2	ChEMBL_215990 (CHEMBL818493)	Inhibition of fibrinogen binding to platelet glycoprotein alpha IIb beta-3 integrin in ELISA
50031636	8	ChEMBL_630798 (CHEMBL1105740)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50031636	9	ChEMBL_630799 (CHEMBL1105741)	Inhibition of cannabinoid CB1 receptor
50031636	10	ChEMBL_630800 (CHEMBL1105742)	Inhibition of cannabinoid CB2 receptor
50031636	11	ChEMBL_630804 (CHEMBL1106559)	Inhibition of rat cannabinoid CB1 receptor
50031636	12	ChEMBL_630805 (CHEMBL1106560)	Inhibition of rat cannabinoid CB2 receptor
50031636	13	ChEMBL_630796 (CHEMBL1105738)	Inverse agonist activity at human recombinant cannabinoid CB1 receptor expressed in CHO cellssassessed as inhibition of forskolin-stimulated increase in intracellular cAMP level
50031637	1	ChEMBL_631206 (CHEMBL1110055)	Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay
50031637	2	ChEMBL_631207 (CHEMBL1110056)	Inhibition of dynamin 2-mediated receptor-induced endocytosis in human U2OS cells assessed as uptake of Tf-TxR dye after 30 mins by automated acquisition and analysis system
50031637	3	ChEMBL_631208 (CHEMBL1113788)	Inhibition of dynamin 1-mediated synaptic vesicle endocytosis in Sprague-Dawley rat synaptosomes assessed as uptake of FM 4-64 dye after 30 mins by automated acquisition and analysis system
50031638	1	ChEMBL_631229 (CHEMBL1113809)	Inhibition of human ERG by single cell patch-clamp assay
50048432	1	ChEBML_215990	Inhibition of fibrinogen binding to platelet glycoprotein alpha IIb beta-3 integrin in ELISA
50031639	2	ChEMBL_631253 (CHEMBL1114660)	Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cell membrane
50034931	4	ChEMBL_3822 (CHEMBL618008)	Inhibitory concentration required against 5-lipoxygenase activity in cytosolic fractions of human neutrophils
50042160	2	ChEMBL_200499 (CHEMBL803844)	Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand
50042160	3	ChEMBL_200498 (CHEMBL803843)	Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using Y-labelled SMT487 radioligand
50034936	3	ChEMBL_142731 (CHEMBL745035)	Neurokinin (NK1) receptor antagonistic activity was evaluated.
50034938	2	ChEBML_29078	In vitro inhibitory activity against Acetylcholinesterase (AChE) using rat brain hippocampal crude homogenates.
50048433	1	ChEBML_140329	In vitro affinity of compound for the glycinergic site associated with NMDA receptor was assessed by inhibition of the binding of [3H]glycine
50034939	7	ChEMBL_143632 (CHEMBL752793)	Inhibitory activity against NS3-4A pep protease
50034939	5	ChEBML_143633	The apparent Ki value against NS3-4Apep protease
50048434	6	ChEMBL_88345 (CHEMBL700004)	Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood
50048434	7	ChEMBL_88183 (CHEMBL700863)	Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.
50048434	8	ChEMBL_98510 (CHEMBL709172)	Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.
50048434	9	ChEMBL_88182 (CHEMBL700862)	Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils
50048434	10	ChEMBL_98503 (CHEMBL709165)	Compound was evaluated for its ability to inhibit [3H]LTB4 binding to LTB4 receptors on guinea pig spleen membranes
50048434	2	ChEBML_88345	Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood
50031642	1	ChEMBL_631473 (CHEMBL1114707)	Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate-inhibitor complex state after 30 mins by fluorescence assay
50031642	2	ChEMBL_631472 (CHEMBL1114706)	Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-inhibitor complex state after 30 mins by fluorescence assay
50031642	3	ChEMBL_631469 (CHEMBL1113888)	Inhibition of Mycobacterium tuberculosis recombinant lumazine synthase at enzyme-substrate complex state after 30 mins by fluorescence assay
50031644	1	ChEMBL_631484 (CHEMBL1114718)	Noncompetitive inhibition of human carbonic anhydrase 1 esterase activity by Lineweaver-Burke plot analysis
50031644	2	ChEMBL_631485 (CHEMBL1114719)	Noncompetitive inhibition of human carbonic anhydrase 2 esterase activity by Lineweaver-Burke plot analysis
50031644	3	ChEMBL_631486 (CHEMBL1114720)	Competitive inhibition of human carbonic anhydrase 1 esterase activity by Lineweaver-Burke plot analysis
50031644	4	ChEMBL_631487 (CHEMBL1114721)	Uncompetitive inhibition of human carbonic anhydrase 1 esterase activity by Lineweaver-Burke plot analysis
50031644	5	ChEMBL_631488 (CHEMBL1114722)	Competitive inhibition of human carbonic anhydrase 2 esterase activity by Lineweaver-Burke plot analysis
50031644	6	ChEMBL_631489 (CHEMBL1114723)	Uncompetitive inhibition of human carbonic anhydrase 2 esterase activity by Lineweaver-Burke plot analysis
50031645	1	ChEMBL_631752 (CHEMBL1114773)	Inhibition of Plasmodium falciparum recombinant plasmepsin-2 expressed in Escherichia coli BL21 (DE3)
50031645	2	ChEMBL_631755 (CHEMBL1114776)	Inhibition of Plasmodium falciparum plasmepsin-2
50031645	3	ChEMBL_631740 (CHEMBL1113940)	Competitive inhibition of Plasmodium falciparum plasmepsin-2 expressed in Escherichia coli BL21 (DE3) after 30 min by FRET assay
50031645	4	ChEMBL_631741 (CHEMBL1114762)	Inhibition of Plasmodium falciparum plasmepsin-2 expressed in Escherichia coli BL21 (DE3) after 40 min by Kitz-Wilson plot analysis
50031645	5	ChEMBL_631746 (CHEMBL1114767)	Inhibition of human cathepsin D after 30 mins by FRET assay
50031646	1	ChEMBL_631758 (CHEMBL1114779)	Displacement of [3H]Ro5-4864 from TSPO in rat kidney mitochondrial membrane
50031646	2	ChEMBL_631761 (CHEMBL1114782)	Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane
50031647	1	ChEMBL_631953 (CHEMBL1104709)	Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay
50031647	2	ChEMBL_631783 (CHEMBL1108176)	Inhibition of human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay
50031647	3	ChEMBL_631956 (CHEMBL1104712)	Inhibition rat recombinant nNOS
50031647	4	ChEMBL_631957 (CHEMBL1104713)	Inhibition of mouse recombinant iNOS
50048434	1	ChEBML_98510	Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.
50048434	4	ChEBML_88183	Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.
50048434	5	ChEBML_98503	Compound was evaluated for its ability to inhibit [3H]LTB4 binding to LTB4 receptors on guinea pig spleen membranes
50048434	3	ChEBML_88182	Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils
50048435	2	ChEMBL_98640 (CHEMBL708865)	Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes
50031649	1	ChEMBL_632001 (CHEMBL1108212)	Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031649	2	ChEMBL_632000 (CHEMBL1108211)	Displacement of FITC-conjugated BH3-Bak peptide from 1 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031649	3	ChEMBL_631991 (CHEMBL1107439)	Displacement of FITC-conjugated BH3-Bak peptide from human recombinant Bcl-XL expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031649	4	ChEMBL_631987 (CHEMBL1107435)	Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031649	5	ChEMBL_631990 (CHEMBL1107438)	Displacement of FITC-conjugated BH3-Bim peptide from human recombinant Bcl-2 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50031650	1	ChEMBL_632017 (CHEMBL1110059)	Binding affinity to human CXCR4 expressed in HEK293 cells
50048435	1	ChEBML_98640	Ability to antagonize LTD4 receptors isolated from guinea pig lung membranes
50031651	4	ChEMBL_632184 (CHEMBL1106517)	Binding affinity to cIAP1 BIR3 domain by fluorescence polarization assay
50031651	5	ChEMBL_632185 (CHEMBL1106518)	Binding affinity to cIAP2 BIR3 domain by fluorescence polarization assay
50008133	6	ChEMBL_138741 (CHEMBL747763)	Binding affinity against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs
50008133	7	ChEMBL_146389 (CHEMBL753185)	Binding affinity against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs
50048436	4	ChEMBL_151526 (CHEMBL762239)	In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 2)
50048436	1	ChEMBL_151525 (CHEMBL760336)	In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005 (experiment 1)
50048436	2	ChEMBL_151527 (CHEMBL762240)	In vitro inhibition of cytochrome P450 lanosterol C14 demethylase in Candida albicans CY1005
50048437	4	ChEMBL_155717 (CHEMBL760595)	Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay
50048437	2	ChEBML_155715	Inhibitory activity against Phosphodiesterase type IV (PDE4) obtained from guinea-pig macrophage was evaluated
50048437	5	ChEMBL_155715 (CHEMBL760593)	Inhibitory activity against Phosphodiesterase type IV (PDE4) obtained from guinea-pig macrophage was evaluated
50048437	3	ChEBML_155716	Inhibition of Phosphodiesterase type 4 (PDE4) from guinea-pig macrophage
50048437	1	ChEBML_155717	Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay
50008041	3	ChEMBL_159291 (CHEMBL766056)	Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease
50048438	1	ChEMBL_87376 (CHEMBL694305)	Inhibition of histidine protein kinase (KinA) phosphorylation in the presence of response regulator (Spo0F)
50048439	1	ChEMBL_92720 (CHEMBL872510)	Ability to inhibit autophosphorylation of KinA/Sp0F assay
50048440	1	ChEMBL_204723 (CHEMBL807637)	Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method.
50048440	2	ChEMBL_204724 (CHEMBL807638)	Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT]
50034943	11	ChEMBL_106374 (CHEMBL718348)	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.
50034944	15	ChEMBL_138344 (CHEMBL747774)	Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell
50048441	1	ChEMBL_211686 (CHEMBL819857)	In vitro tubulin polymerization-inhibitory activity.
50048441	2	ChEMBL_211687 (CHEMBL819858)	In vitro tubulin polymerization-inhibitory activity; 4-6
50011243	4	ChEMBL_2012763 (CHEMBL4666341)	Inhibition of Escherichia coli DNA gyrase assessed as conversion of NADH to NAD+ by ATPase assay
50011243	5	ChEMBL_2012765 (CHEMBL4666343)	Inhibition of Escherichia coli DNA gyrase using biotinylated oligonucleotide as substrate incubated for 30 mins in presence of ATP by fluorescence-based microplate reader assay
50034950	5	ChEMBL_154921 (CHEMBL764695)	In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.
50008213	5	ChEMBL_210831 (CHEMBL811860)	Compound was evaluated for its binding affinity to the tryptase
50031656	2	ChEMBL_632512 (CHEMBL1111160)	Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
50031656	10	ChEMBL_632510 (CHEMBL1111158)	Agonist activity at human recombinant S1P4 receptor expressed in CHO cells by GTPgammaS binding assay
50031656	11	ChEMBL_632511 (CHEMBL1111159)	Agonist activity at human recombinant S1P5 receptor expressed in CHO cells by GTPgammaS binding assay
50031657	1	ChEMBL_632804 (CHEMBL1105615)	Inhibition of EGFR after 30 mins by chemiluminescence ELISA
50031657	2	ChEMBL_632812 (CHEMBL1111026)	Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP
50031657	3	ChEMBL_632814 (CHEMBL1111028)	Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP
50041024	8	ChEMBL_1005 (CHEMBL616048)	Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells
50041024	9	ChEMBL_1004 (CHEMBL616047)	Compound was tested for its potency against 5-hydroxytryptamine 1A receptor expressed in CHO cells (experiment 2)
50041024	10	ChEMBL_1519 (CHEMBL616153)	Compound was tested for inhibition constant against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes.
50008231	4	ChEMBL_161406 (CHEMBL768315)	Inhibition of Protein Kinase A (PKA)
50031657	13	ChEMBL_632810 (CHEMBL1111024)	Noncompetitive inhibition of EGFR after 30 mins by chemiluminescence ELISA in presence of 250 uM ATP
50034953	3	ChEMBL_39622 (CHEMBL649929)	Antagonistic activity against labelled Bombesin receptor bb1 binding sites in rat olfactory bulb by using [125I]- [Tyr] bombesin in presence of [D-Phe-6] bombesin(6-13)ethyl ester; 0.31-1.3
50034953	4	ChEMBL_39762 (CHEMBL883283)	Antagonistic activity against labelled Bombesin receptor bb2 binding sites in rat cerebral cortex by using [125I]- [Tyr] bombesin in presence of NMB; 6.5-31
50048442	1	ChEMBL_155738 (CHEMBL759843)	Dissociation constant for binding with Phosphoglycerate kinase (PGK) enzyme is evaluated
50031658	1	ChEMBL_629062 (CHEMBL1121020)	Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method
50031659	1	ChEMBL_629095 (CHEMBL1121053)	Inhibition of Mcl1 protein by Mcl1/Bak fluorescence resonance assay
50048443	5	ChEMBL_157392 (CHEMBL763657)	Inhibition of phosphodiesterase 4
50048443	1	ChEBML_157392	Inhibition of phosphodiesterase 4
50048443	2	ChEBML_157387	Inhibition of Rolipram binding to PDE4 at 1 uM
50048444	1	ChEBML_156890	Inhibition of PDE4 from guinea pig macrophages
50048444	5	ChEBML_156890	Inhibition of PDE4 from guinea pig macrophages
50048444	2	ChEBML_156888	Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages
50048445	1	ChEMBL_155720 (CHEMBL760598)	Inhibition of PDE4 enzyme from U937 cells
50048445	2	ChEMBL_155721 (CHEMBL760599)	Inhibition of phosphodiesterase 4 from U937 cells
50048444	3	ChEBML_156889	Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages
50048443	6	ChEMBL_157387 (CHEMBL763652)	Inhibition of Rolipram binding to PDE4 at 1 uM
50048443	4	ChEMBL_157386 (CHEMBL763651)	Inhibition of Rolipram binding to PDE4
50048443	3	ChEMBL_157393 (CHEMBL763658)	Inhibition of phosphodiesterase 4
50008249	12	ChEMBL_157391 (CHEMBL763656)	In vitro binding activity towards catalytic site of phosphodiesterase 4
50008249	9	ChEMBL_157389 (CHEMBL763654)	Binding activity towards Rolipram binding site of phosphodiesterase 4
50008249	11	ChEMBL_157394 (CHEMBL763659)	Inhibition of phosphodiesterase 4
50008249	7	ChEMBL_156167 (CHEMBL760936)	Inhibition of phosphodiesterase 1 at 20 uM
50008249	10	ChEMBL_157390 (CHEMBL763655)	Inhibition of Rolipram binding to phosphodiesterase 4 at 20 uM
50031661	1	ChEMBL_632846 (CHEMBL1112852)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting
50008249	8	ChEMBL_157388 (CHEMBL763653)	Relative inhibition of phosphodiesterase 4 activity and Rolipram binding to PDE4
50031661	2	ChEMBL_632847 (CHEMBL1112853)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting
50031662	1	ChEMBL_629402 (CHEMBL1105755)	Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by spectrophotometric analysis
50031662	2	ChEMBL_629403 (CHEMBL1105756)	Competitive inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine substrate by Lineweaver-Burke plot analysis
50031664	1	ChEMBL_629845 (CHEMBL1116482)	Antagonistic activity at adenosine A2A receptor
50031664	2	ChEMBL_629846 (CHEMBL1116483)	Antagonistic activity at adenosine A1 receptor
50031665	1	ChEMBL_630082 (CHEMBL1110002)	Agonist activity at human BRS3
50031665	2	ChEMBL_630084 (CHEMBL1110004)	Agonist activity at mouse BRS3
50031665	3	ChEMBL_630081 (CHEMBL1110001)	Binding affinity to human BRS3
50031666	1	ChEMBL_630096 (CHEMBL1110016)	Inhibition of CYP3A4
50031666	2	ChEMBL_630097 (CHEMBL1110017)	Inhibition of human ERG channel by electrophysiology assay
50031666	3	ChEMBL_630095 (CHEMBL1110015)	Inhibition of CYP2D6
50031666	4	ChEMBL_630094 (CHEMBL1110014)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting
50031666	5	ChEMBL_630093 (CHEMBL1110013)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting
50031666	6	ChEMBL_630101 (CHEMBL1110021)	Inhibition of human ERG channel by patch clamp assay
50031666	7	ChEMBL_630100 (CHEMBL1110020)	Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting
50031667	1	ChEMBL_630104 (CHEMBL1110024)	Displacement of [3H]citalopram form human SRET by liquid scintillation counting
50031667	2	ChEMBL_630105 (CHEMBL1110025)	Displacement of [3H]spiperone form human dopamine D2 receptor by liquid scintillation counting
50031668	1	ChEMBL_630117 (CHEMBL1113708)	Displacement of [3H]ketanserin hydrochloride from 5-HT2A receptor in Sprague-Dawley rat brain cortex after 15 mins
50031668	2	ChEMBL_630116 (CHEMBL1113707)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat brain cortex after 30 mins liquid scintillation spectrometer
50031668	3	ChEMBL_630118 (CHEMBL1113709)	Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat brain cortex after 15 mins
50031668	4	ChEMBL_630119 (CHEMBL1113710)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum after 15 mins by liquid scintillation counting
50031668	5	ChEMBL_630120 (CHEMBL1113711)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting
50031669	1	ChEMBL_630123 (CHEMBL1113714)	Inhibition of electric eel AChE by Ellman's method
50031670	1	ChEMBL_630130 (CHEMBL1113721)	Antagonist activity at adenosine A2A receptor
50031670	2	ChEMBL_630131 (CHEMBL1113722)	Antagonist activity at adenosine A1 receptor
50034957	3	ChEMBL_223422 (CHEMBL844033)	Agonistic activity tested in vitro in guinea pig ileum opioid
50034958	8	ChEMBL_147018 (CHEMBL756220)	Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes
50008263	10	ChEMBL_34594 (CHEMBL645553)	Compound was evaluated for binding affinity against Alpha-1 adrenergic receptor from rat
50008263	9	ChEMBL_2355 (CHEMBL617429)	Compound was evaluated for binding affinity against 5-hydroxytryptamine 2 receptor from rat
50048444	7	ChEMBL_156890 (CHEMBL767080)	Inhibition of PDE4 from guinea pig macrophages
50048444	6	ChEMBL_155017 (CHEMBL764554)	Inhibition of Rolipram binding to Phosphodiesterase 4
50048444	8	ChEMBL_156888 (CHEMBL767078)	Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages
50048446	1	ChEMBL_156910 (CHEMBL763944)	Displacement of [3H]rolipram binding to guinea pig brain membrane
50048446	2	ChEMBL_156891 (CHEMBL767081)	Inhibition of guinea pig macrophage Phosphodiesterase 4
50048446	3	ChEMBL_156909 (CHEMBL763943)	Inhibition of rolipram binding to Phosphodiesterase 4
50034961	17	ChEMBL_28878 (CHEMBL645948)	AP-1 suppression activity using one month old DMSO stock
50034961	16	ChEMBL_28877 (CHEMBL645947)	AP-1 suppression activity using freshly prepared DMSO stock
50034961	7	ChEMBL_100237 (CHEMBL711120)	Inhibition of the dual specificity kinase MEK-1
50034961	13	ChEMBL_28880 (CHEMBL645950)	AP-1 suppression activity using six months old DMSO stock
50034961	11	ChEMBL_100238 (CHEMBL711121)	Inhibition of the dual specificity kinase MEK-1
50031671	3	ChEMBL_630325 (CHEMBL1109072)	Inhibition oh BACE2
50031671	4	ChEMBL_630326 (CHEMBL1109073)	Inhibition oh cathepsin D
50031671	5	ChEMBL_630327 (CHEMBL1109074)	Inhibition oh cathepsin E
50034961	18	ChEMBL_28879 (CHEMBL645949)	AP-1 suppression activity using one week old DMSO stock
50034961	14	ChEMBL_28881 (CHEMBL645951)	AP-1 suppression activity using two months old DMSO stock
50031672	1	ChEMBL_630344 (CHEMBL1112866)	Agonist activity at human PPARgamma by Gal4 transactivation assay
50031673	1	ChEMBL_630353 (CHEMBL1112875)	Inhibition of Yersinia pestis YopH after 15 mins by pNPP hydrolysis assay
50031674	1	ChEMBL_630370 (CHEMBL1112892)	Inhibition of human CK1delta expressed in simian genome expressing mouse 3T3 cells
50031675	1	ChEMBL_630611 (CHEMBL1108325)	Inhibition of electric eel AChE
50031675	2	ChEMBL_630612 (CHEMBL1108326)	Inhibition of Equus caballus BuChE
50031675	3	ChEMBL_630613 (CHEMBL1108327)	Inhibition of human AChE
50034962	3	ChEMBL_225982 (CHEMBL844179)	Compound was tested in vitro for inhibition of tubulin polymerization.
50048447	1	ChEMBL_62588 (CHEMBL673116)	Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.
50048447	2	ChEMBL_60532 (CHEMBL674943)	Binding affinity at Dopamine receptor D2 expressed in CHO cells by [125I]iodosulpiride displacement.
50048447	3	ChEMBL_60552 (CHEMBL670662)	Displacement of [125I]iodosulpiride from Dopamine receptor D2 expressed in CHO cells
50031677	1	ChEMBL_630625 (CHEMBL1111059)	Inhibition of human factor 10a assessed as p-nitroanilide release using S2765 as substrate by chromogenic assay
50031677	2	ChEMBL_630635 (CHEMBL1111069)	Inhibition of human thrombin after 10 mins by chromogenic assay
50031677	3	ChEMBL_630636 (CHEMBL1111070)	Inhibition of human factor 9a after 10 mins by chromogenic assay
50031677	4	ChEMBL_630638 (CHEMBL1111072)	Inhibition of human tissue plasminogen activator after 5 mins by chromogenic assay
50031677	5	ChEMBL_630641 (CHEMBL1111075)	Inhibition of human plasmin after 5 mins by chromogenic assay
50031677	6	ChEMBL_630642 (CHEMBL1111076)	Inhibition of human factor 10a using S2222 as substrate after 10 mins by chromogenic assay
50031678	1	ChEMBL_630655 (CHEMBL1111089)	Agonist activity against human Gal4-fussed PPARgamma in HEK293 cells by luciferase reporter gene assay
50031678	2	ChEMBL_630653 (CHEMBL1111087)	Agonist activity against human Gal4-fussed PPARalpha in HEK293 cells by luciferase reporter gene assay
50008293	8	ChEMBL_156486 (CHEMBL761731)	Evaluated for its ability to inhibit PDE3.
50008293	9	ChEMBL_157366 (CHEMBL762042)	Inhibition of [3H]-rolipram binding to membrane-bound PDE4
50008293	10	ChEMBL_157218 (CHEMBL769542)	Evaluated for the inhibition of [3H]rolipram binding to membrane-bound PDE4.
50031680	1	ChEMBL_630845 (CHEMBL1109215)	Inhibition of human SSTR4
50031681	1	ChEMBL_630880 (CHEMBL1113009)	Inhibition of Escherichia coli K12 IS expressed in Escherichia coli BL21(DE3) by spectrophotometry
50031681	2	ChEMBL_630881 (CHEMBL1113010)	Inhibition of Salmonella Typhimurium anthranilate synthase trpE:trpD expressed in Escherichia coli BL21(DE3) coexpressing stop codon in trpD gene for encoding aminotransferase activity by spectrophotometry for enzyme-inhibitor complex
50031681	3	ChEMBL_630882 (CHEMBL1113011)	Inhibition of Salmonella Typhimurium anthranilate synthase trpE:trpD expressed in Escherichia coli BL21(DE3) coexpressing stop codon in trpD gene for encoding aminotransferase activity by spectrophotometry for enzyme-substrate-inhibitor complex
50031681	4	ChEMBL_630879 (CHEMBL1113008)	Inhibition of Escherichia coli K12 ADCS by spectrophotometry
50031682	1	ChEMBL_630896 (CHEMBL1113025)	Inhibition of CYP3A4
50031683	2	ChEMBL_631118 (CHEMBL1106490)	Inhibition of recombinant auroraA preincubated for 15 mins by HTRF assay
50031683	3	ChEMBL_631119 (CHEMBL1106491)	Inhibition of recombinant IKK-beta preincubated for 15 mins by HTRF assay
50031683	4	ChEMBL_631120 (CHEMBL1106492)	Inhibition of recombinant TrKa preincubated for 15 mins by HTRF assay
50034964	4	ChEBML_222902	Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand
50034964	6	ChEMBL_222902 (CHEMBL845360)	Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand
50034964	7	ChEMBL_139656 (CHEMBL745634)	Stimulation of cAMP in CHO cells expressing human m2 receptor
50031684	1	ChEMBL_631318 (CHEMBL1105655)	Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins
50031684	2	ChEMBL_631316 (CHEMBL1105653)	Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assessed as LDH release after 30 mins
50031684	3	ChEMBL_631312 (CHEMBL1105649)	Inhibition of equine serum BChE by modified Ellman's method
50031684	4	ChEMBL_631311 (CHEMBL1103849)	Inhibition of electric eel AChE by modified Ellman's method
50031684	5	ChEMBL_631325 (CHEMBL1105662)	Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in mouse L13-E6 cells
50031685	1	ChEMBL_631347 (CHEMBL1105684)	Inhibition of human 11-beta-HSD1 expressed in HEK293 cells co-transfected with GRE-luciferase after 6 hrs by luciferase reporter gene assay
50031685	2	ChEMBL_631348 (CHEMBL1105685)	Inhibition of 11-beta-HSD2
50031686	1	ChEMBL_631356 (CHEMBL1105693)	Inhibition of human recombinant Src after 70 mins by FRET assay
50031686	2	ChEMBL_631357 (CHEMBL1105694)	Inhibition of Src-mediated cell proliferation in rat Rat-2 fibroblasts after 4 days by MTS assay
50031686	3	ChEMBL_631518 (CHEMBL1114752)	Inhibition of Abl
50031686	4	ChEMBL_631519 (CHEMBL1117422)	Inhibition of EGFR
50031686	5	ChEMBL_631521 (CHEMBL1117424)	Inhibition of AKT
50031686	6	ChEMBL_631522 (CHEMBL1117425)	Inhibition of TPL2
50031686	7	ChEMBL_631523 (CHEMBL1117426)	Inhibition of PDK1
50031686	8	ChEMBL_631525 (CHEMBL1117428)	Inhibition of mTOR
50031687	1	ChEMBL_631536 (CHEMBL1103901)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane
50031687	2	ChEMBL_631537 (CHEMBL1103902)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane
50031687	3	ChEMBL_631538 (CHEMBL1103903)	Inhibition of [3H]ketanserin binding to 5HT2A receptor in rat cortex membrane at 30 uM
50034965	2	ChEMBL_216336 (CHEMBL818750)	Compound was evaluated for inhibition of rat brain KYN 3-OHase
50048448	4	ChEMBL_157399 (CHEMBL763349)	Inhibition of rolipram binding
50031689	1	ChEMBL_631548 (CHEMBL1103913)	Inhibition of soluble epoxide hydrolase by fluorescence assay
50048448	5	ChEMBL_157398 (CHEMBL763348)	Inhibition of PDE4
50048448	3	ChEBML_157401	Inhibition of rolipram binding to PDE4
50048448	2	ChEBML_157398	Inhibition of PDE4
50031690	3	ChEMBL_631551 (CHEMBL1103916)	Inhibition of VEGFR2
50031690	4	ChEMBL_631552 (CHEMBL1103917)	Inhibition of c-Met phosphorylation in human MKN45 cells
50048448	1	ChEBML_157399	Inhibition of rolipram binding
50048449	1	ChEBML_49251	Compound was evaluated for inhibitory activity against Trichoderma Chitinase
50034966	3	ChEMBL_82665 (CHEMBL694130)	Inhibition of Ha-ras polymerase-chain reaction product
50048450	3	ChEMBL_222612 (CHEMBL846288)	Inhibition of phosphodiesterase type IV (PDE4) activity
50048450	1	ChEBML_222612	Inhibition of phosphodiesterase type IV (PDE4) activity
50048450	4	ChEMBL_222613 (CHEMBL846289)	Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)
50048450	2	ChEBML_222613	Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)
50031691	1	ChEMBL_631598 (CHEMBL1106592)	Inhibition of PIM1
50031691	6	ChEMBL_631604 (CHEMBL1106598)	Inhibition of CK1
50031691	7	ChEMBL_631605 (CHEMBL1106599)	Inhibition of mouse DYRK1A expressed in Escherichia coli after 20 mins
50031691	8	ChEMBL_631606 (CHEMBL1106600)	Inhibition of DYRK2
50031691	9	ChEMBL_631607 (CHEMBL1106601)	Inhibition of CLK1
50031692	1	ChEMBL_631609 (CHEMBL1106603)	Inhibition of PTP1B
50031692	2	ChEMBL_631610 (CHEMBL1106604)	Inhibition of TCPTP
50031692	3	ChEMBL_631608 (CHEMBL1106602)	Inhibition of CDC25B
50031692	4	ChEMBL_631611 (CHEMBL1106605)	Inhibition of SHP1
50031692	5	ChEMBL_631612 (CHEMBL1106606)	Inhibition of SHP2
50048451	1	ChEMBL_158624 (CHEMBL765769)	Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat
50048452	1	ChEMBL_221155 (CHEMBL842190)	Compound was tested for inhibition of p38 MAP kinase
50031694	1	ChEMBL_631800 (CHEMBL1108193)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting
50031695	1	ChEMBL_631810 (CHEMBL1109003)	Inhibition of Vibrio cholerae neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 30 mins by spectrofluorimetry
50031695	2	ChEMBL_631812 (CHEMBL1111005)	Noncompetitive inhibition of Clostridium perfringens neuraminidase
50031695	3	ChEMBL_631813 (CHEMBL1111006)	Competitive inhibition of Clostridium perfringens neuraminidase
50031695	4	ChEMBL_631808 (CHEMBL1108201)	Inhibition of Clostridium perfringens neuraminidase assessed as inhibition of 4-MU-NANA hydrolysis after 10 mins by spectrofluorimetry
50031696	1	ChEMBL_631829 (CHEMBL1111900)	Displacement of biotinylated VEGF165 from recombinant NRP1 after 2 hrs by competitive binding assay
50031696	2	ChEMBL_631828 (CHEMBL1111899)	Inhibition of VEGF binding to NRP1 expressed in CHO cells
50048453	1	ChEMBL_211480 (CHEMBL819683)	Tubulin polymerization inhibitory activity using bovine brain tubulin
50034969	4	ChEMBL_30718 (CHEMBL873061)	Binding affinity for adenosine A2 receptor of rat striatal membrane using [3H]CGS-21680
50043995	4	ChEMBL_156757 (CHEMBL761479)	Inhibition of phosphodiesterase (PDE) 3
50034971	4	ChEMBL_165976 (CHEMBL774954)	Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.
50034971	3	ChEMBL_165977 (CHEMBL882347)	Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM
50048454	1	ChEMBL_219954 (CHEMBL842730)	Inhibition of TNF-alpha production by lipopolysaccharide-stimulated human peripheral blood mononuclear cells
50031698	1	ChEMBL_631853 (CHEMBL1111924)	Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS
50031698	2	ChEMBL_631854 (CHEMBL1111925)	Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA
50008369	4	ChEMBL_225420 (CHEMBL847455)	In vitro inhibitory activity against thrombin(FIIa)
50041027	2	ChEMBL_60952 (CHEMBL670971)	Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2
50041027	3	ChEMBL_226359 (CHEMBL858013)	Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)
50034976	9	ChEMBL_39937 (CHEMBL655778)	Compound was evaluated for inhibitory constant against CD45
50048455	1	ChEBML_155714	In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.
50008441	3	ChEMBL_79970 (CHEMBL690408)	Binding affinity to HIV-1 protease was determined
50034974	6	ChEMBL_62153 (CHEMBL675909)	Inhibitory activity against radioligand [3H]WIN-35428 binding at the dopamine transporter
50048455	4	ChEMBL_155714 (CHEMBL760592)	In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.
50048455	3	ChEMBL_155718 (CHEMBL760596)	Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement.
50034978	2	ChEMBL_204596 (CHEMBL813181)	Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat
50007935	2	ChEMBL_99858 (CHEMBL706928)	In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).
50007935	3	ChEMBL_99857 (CHEMBL706927)	In vitro inhibition of [3H]LTD4 binding to LTD4 receptor of guinea pig lung membrane with human serum albumin (HSA).
50031700	1	ChEMBL_632327 (CHEMBL1112955)	Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as intracellular calcium stimulation
50031700	2	ChEMBL_632324 (CHEMBL1112952)	Antagonist activity at rat TRMP8 receptor expressed in HEK293 cells assessed as menthol-induced calcium elevation
50031701	1	ChEMBL_632331 (CHEMBL1112959)	Inhibition of mouse p38alpha after 3 hrs by SPA method
50031701	2	ChEMBL_632336 (CHEMBL1112964)	Displacement of labeled MK-499 from human ERG in HEK293 cells
50031701	3	ChEMBL_632337 (CHEMBL1112965)	Activation of PXR
50031702	1	ChEMBL_632362 (CHEMBL1115567)	Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranes
50031702	2	ChEMBL_632360 (CHEMBL1115565)	Inhibition of human NET transfected in MDCK-Net6 cells
50031702	3	ChEMBL_632361 (CHEMBL1115566)	Inhibition of human SERT expressed in human JAR cells
50031703	1	ChEMBL_632605 (CHEMBL1109006)	Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr
50031704	1	ChEMBL_632888 (CHEMBL1107470)	Inhibition of human TK1 by liquid scintillation counting
50031704	2	ChEMBL_632671 (CHEMBL1112809)	Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting
50031705	1	ChEMBL_632892 (CHEMBL1107474)	Antagonist activity at FLAG-tagged human BLT2 receptor expressed in HEK293 cells assessed as inhibition of LTB4-stimulated calcium mobilization preincubated for 10 mins before LTB4 challenge
50031705	2	ChEMBL_632891 (CHEMBL1107473)	Antagonist activity at FLAG-tagged human BLT1 receptor expressed in HEK293 cells assessed as inhibition of LTB4-stimulated calcium mobilization preincubated for 10 mins before LTB4 challenge
50031705	3	ChEMBL_632904 (CHEMBL1107486)	Inhibition of CYP2C9 fluorescence method
50031705	4	ChEMBL_632905 (CHEMBL1107487)	Inhibition of CYP2C9 by LC/MS method
50031705	5	ChEMBL_632898 (CHEMBL1107480)	Inhibition of human ERG expressed in CHO cells assessed as reduction of current amplitude
50031705	6	ChEMBL_632900 (CHEMBL1107482)	Inhibition of CYP1A2 by fluorescence method
50031705	7	ChEMBL_632901 (CHEMBL1107483)	Inhibition of CYP2D6 fluorescence method
50031705	8	ChEMBL_632902 (CHEMBL1107484)	Inhibition of CYP2C19 fluorescence method
50031705	9	ChEMBL_632903 (CHEMBL1107485)	Inhibition of CYP3A4 fluorescence method
50031705	10	ChEMBL_632889 (CHEMBL1107471)	Antagonist activity at BLT1 receptor expressed in human HL60 cells assessed as inhibition of LTB4-stimulated calcium flux after 30 mins
50031706	1	ChEMBL_632950 (CHEMBL1115551)	Inhibition of KDR after 2 hrs incubation
50031707	1	ChEMBL_629196 (CHEMBL1121310)	Inhibition of full length HDAC1 expressed in HEK293 cells after 15 mins by fluorescence assay
50031707	2	ChEMBL_629198 (CHEMBL1121312)	Inhibition of full length HDAC2 expressed in HEK293 cells after 15 mins by fluorescence assay
50031707	3	ChEMBL_629201 (CHEMBL1121315)	Inhibition of full length HDAC3 expressed in HEK293 cells after 15 mins by fluorescence assay
50031707	4	ChEMBL_629204 (CHEMBL1121318)	Inhibition of full length HDAC6 expressed in HEK293 cells after 15 mins by fluorescence assay
50031707	5	ChEMBL_629213 (CHEMBL1121327)	Inhibition of human full length HDAC8 expressed in Escherichia coli after 15 mins by fluorescence assay
50031707	6	ChEMBL_629205 (CHEMBL1121319)	Inhibition of human HDAC4 catalytic domain expressed in Escherichia coli BL21 after 15 mins by fluorescence assay
50048456	1	ChEMBL_156896 (CHEMBL767086)	Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue.
50048456	2	ChEMBL_156474 (CHEMBL761551)	Inhibitory effect in cGMP-inhibited Phosphodiesterase 3 (PDE 3) isolated from guinea pig ventricular tissue.
50048456	3	ChEMBL_156473 (CHEMBL761550)	Inhibition of guinea pig ventricular Phosphodiesterase 3 (PDE 3)
50048457	1	ChEMBL_371 (CHEMBL825022)	Inhibitory activity against 3-phosphoglycerate kinase.
50031710	1	ChEMBL_629407 (CHEMBL1105760)	Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method
50031710	2	ChEMBL_629410 (CHEMBL1105763)	Inhibition of human recombinant MAO-B assessed as inhibition of production of hydrogen peroxide after 15 mins by the Amplex Red fluorimetric method
50031711	1	ChEMBL_629414 (CHEMBL1105767)	Binding affinity to human histamine H3 receptor
50031711	2	ChEMBL_629438 (CHEMBL1105791)	Binding affinity to rat histamine H3 receptor
50031711	3	ChEMBL_629417 (CHEMBL1105770)	Inhibition of human ERG by patch clamp assay
50031711	4	ChEMBL_629418 (CHEMBL1105771)	Displacement of labeled dofetilide human ERG
50048457	2	ChEMBL_372 (CHEMBL615425)	Binding affinity was evaluated towards 3-phosphoglycerate kinase at 37 degrees Celsius in 0.1 m NaCl pH 7.1
50031712	2	ChEMBL_629444 (CHEMBL1105797)	Displacement of [3H]T0901317 from LXRalpha ligand binding domain
50031713	1	ChEMBL_629463 (CHEMBL1120752)	Inhibition of GST-tagged human recombinant c-met N terminal domain expressed in Hi5 insect cells after 60 mins by liquid scintillation counting
50031713	2	ChEMBL_629469 (CHEMBL1120758)	Inhibition of FLT3
50031713	3	ChEMBL_629471 (CHEMBL1120760)	Inhibition of TrkA
50031713	4	ChEMBL_629473 (CHEMBL1120762)	Inhibition of LcK
50031713	6	ChEMBL_629475 (CHEMBL1120764)	Inhibition of MK2
50031713	8	ChEMBL_629478 (CHEMBL1120767)	Inhibition of IGFR1
50031714	1	ChEMBL_629698 (CHEMBL1121058)	Inhibition of T-type calcium channel alpha1G expressed in human HEK293 cells assessed as inhibition of peak currents by whole-cell patch-clamp method
50031714	2	ChEMBL_629699 (CHEMBL1121059)	Inhibition of human ERG
50031714	3	ChEMBL_629700 (CHEMBL1121060)	Inhibition of N-type calcium channel Alpha-1B
50031715	1	ChEMBL_629725 (CHEMBL1121085)	Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay
50031715	2	ChEMBL_629724 (CHEMBL1121084)	Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay
50031716	1	ChEMBL_629919 (CHEMBL1108383)	Displacement of [3HMPEP from rat cloned mGluR5 expressed in HEK293T cells by by scintillation counting
50031716	2	ChEMBL_629920 (CHEMBL1108384)	Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay
50007911	3	ChEMBL_225417 (CHEMBL847453)	In vitro inhibitory activity against rat testosterone 5 alpha reductase was determined
50007915	4	ChEMBL_32410 (CHEMBL648045)	In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand
50031718	1	ChEMBL_629947 (CHEMBL1109191)	Inhibition of xanthine oxidase
50031719	1	ChEMBL_629960 (CHEMBL1112037)	Agonist activity at human recombinant histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50031719	3	ChEMBL_629975 (CHEMBL1112052)	Inhibition of histamine H1 receptor
50031719	4	ChEMBL_629976 (CHEMBL1112053)	Inhibition of histamine H2 receptor
50031719	5	ChEMBL_629977 (CHEMBL1112054)	Inhibition of human recombinant histamine H4 receptor expressed in CHO cells
50031719	6	ChEMBL_630136 (CHEMBL1113727)	Inhibition of beta-1 adrenergic receptor
50031719	8	ChEMBL_630138 (CHEMBL1113729)	Inhibition of muscarinic M1 receptor
50031719	9	ChEMBL_630139 (CHEMBL1113730)	Inhibition of muscarinic M3 receptor
50031719	10	ChEMBL_630140 (CHEMBL1113731)	Inhibition of 5HT1A receptor
50031719	11	ChEMBL_630141 (CHEMBL1113732)	Inhibition of 5HT2A receptor
50031719	12	ChEMBL_630142 (CHEMBL1113733)	Inhibition of 5HT3 receptor
50031719	13	ChEMBL_630143 (CHEMBL1113734)	Inhibition of dopamine D1 receptor
50031719	14	ChEMBL_630144 (CHEMBL1113735)	Inhibition of dopamine D2 receptor
50031719	15	ChEMBL_630145 (CHEMBL1113736)	Inhibition of dopamine D3 receptor
50031719	16	ChEMBL_630146 (CHEMBL1113737)	Inhibition of human CYP1A2 expressed in insect cell microsome after 15 mins by fluorescence assay
50031719	17	ChEMBL_630147 (CHEMBL1113738)	Inhibition of human CYP2C19 expressed in insect cell microsome after 30 mins by fluorescence assay
50031719	18	ChEMBL_630148 (CHEMBL1113739)	Inhibition of human CYP2D6 expressed in insect cell microsome after 30 mins by fluorescence assay
50031719	19	ChEMBL_630149 (CHEMBL1113740)	Inhibition of human CYP3A4 expressed in insect cell microsome after 30 mins by fluorescence assay
50031720	1	ChEMBL_630182 (CHEMBL1117285)	Binding affinity to adenosine A3 receptor
50031720	2	ChEMBL_630177 (CHEMBL1117280)	Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique
50031720	3	ChEMBL_630178 (CHEMBL1117281)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor by rapid filtration technique
50031720	4	ChEMBL_630180 (CHEMBL1117283)	Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique
50031721	1	ChEMBL_630198 (CHEMBL1117301)	Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50031721	2	ChEMBL_630199 (CHEMBL1117302)	Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50031721	3	ChEMBL_630200 (CHEMBL1117303)	Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50031721	4	ChEMBL_630201 (CHEMBL1117304)	Antagonist activity at mouse EP3alpha receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium level after 1 hr by fluorescence assay in presence of 1% bovine serum albumin
50031721	5	ChEMBL_630197 (CHEMBL1117300)	Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50031722	1	ChEMBL_630411 (CHEMBL1113782)	Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method
50031722	2	ChEMBL_630412 (CHEMBL1113783)	Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method
50048458	1	ChEMBL_154235 (CHEMBL763477)	Inhibition of calmodulin dependent phosphodiesterase
50007906	4	ChEMBL_105373 (CHEMBL712452)	Binding affinity was evaluated against matrix metalloprotease-9
50007883	3	ChEMBL_99997 (CHEMBL710522)	In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum
50048459	1	ChEMBL_152476 (CHEMBL856675)	Compound was tested for inhibition of porcine pancreatic lipase
50007887	7	ChEMBL_2347 (CHEMBL617421)	Affinity for 5-hydroxytryptamine 2 receptor
50007887	9	ChEMBL_34581 (CHEMBL645391)	Binding affinity towards Alpha-1 adrenergic receptor was evaluated
50007887	8	ChEMBL_34585 (CHEMBL645395)	Affinity for alpha-1 adrenergic receptor
50008026	7	ChEMBL_33857 (CHEMBL646435)	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat frontal cortex
50008026	8	ChEMBL_1900 (CHEMBL616496)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat pre frontal cortex
50008026	6	ChEMBL_33925 (CHEMBL884021)	Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex
50031724	1	ChEMBL_630931 (CHEMBL1116530)	Inhibition of human recombinant HDAC2 preincubated for 24 hrs followed by 1 hr reaction with substrate by protease coupled end-point assay
50031724	2	ChEMBL_630930 (CHEMBL1116529)	Inhibition of human recombinant HDAC2 preincubated for 1 hr with substrate by protease coupled end-point assay
50008475	7	ChEMBL_156746 (CHEMBL761468)	Optimum inhibitory concentration required to inhibit cGMP specific phosphodiesterase 3 (PDE3)
50008475	6	ChEMBL_156754 (CHEMBL761476)	Inhibition of cGMP-inhibited phosphodiesterase 3 (PDE3)
50031726	1	ChEMBL_631133 (CHEMBL1107397)	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by rapid filtration assay
50031726	2	ChEMBL_631134 (CHEMBL1107398)	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins by rapid filtration assay
50031726	3	ChEMBL_631130 (CHEMBL1107394)	Antagonist activity at P2Y12 receptor by [35S]GTPgammaS binding assay
50031726	4	ChEMBL_631131 (CHEMBL1107395)	Antagonist activity at P2Y1 receptor by [35S]GTPgammaS binding assay
50031729	1	ChEMBL_631195 (CHEMBL1110044)	Inhibition of JNK2
50031729	2	ChEMBL_631194 (CHEMBL1110043)	Inhibition of p38alpha
50031730	1	ChEMBL_631366 (CHEMBL1109118)	Inhibition of aldose reductase from calf lense by AR assay
50031731	2	ChEMBL_631390 (CHEMBL1109142)	Inhibition of Plk2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	3	ChEMBL_631391 (CHEMBL1109143)	Inhibition of Plk3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	4	ChEMBL_631389 (CHEMBL1109141)	Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50034989	7	ChEMBL_50322 (CHEMBL660791)	Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined
50031731	5	ChEMBL_631394 (CHEMBL1109146)	Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50034989	8	ChEMBL_63595 (CHEMBL675242)	Inhibit of epidermal growth factor receptor (EGFR)
50034989	9	ChEMBL_160262 (CHEMBL767023)	Inhibition of Protein kinase C alpha
50008831	6	ChEMBL_34502 (CHEMBL649630)	In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002
50034991	4	ChEMBL_99190 (CHEMBL711968)	Inhibitor constant was measured against Liver phosphorylase b in rat
50031731	6	ChEMBL_631423 (CHEMBL1111960)	Inhibition of MET assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	7	ChEMBL_631424 (CHEMBL1111961)	Inhibition of NEK6 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	8	ChEMBL_631426 (CHEMBL1111963)	Inhibition of PAK4 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	9	ChEMBL_631427 (CHEMBL1111964)	Inhibition of PDK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	10	ChEMBL_631428 (CHEMBL1111965)	Inhibition of PKA-alpha assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	11	ChEMBL_631429 (CHEMBL1111966)	Inhibition of PKC-beta assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	12	ChEMBL_631430 (CHEMBL1111967)	Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	13	ChEMBL_631431 (CHEMBL1111968)	Inhibition of RET assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	14	ChEMBL_631432 (CHEMBL1111969)	Inhibition of STK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	15	ChEMBL_631434 (CHEMBL1111971)	Inhibition of TrkA assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	16	ChEMBL_631617 (CHEMBL1106611)	Inhibition of VEGFR2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50034993	7	ChEMBL_64177 (CHEMBL671684)	Kinetic constant for human neutrophil elastase
50034993	2	ChEMBL_64001 (CHEMBL673110)	Inhibitory constant for human neutrophil elastase
50034995	3	ChEMBL_159646 (CHEMBL763590)	Tested for the inhibitory activity against HIV protease (Second pure eluting diastereomer )
50034995	8	ChEMBL_154160 (CHEMBL762201)	Tested for the inhibitory activity against pepsin (Second pure eluting diastereomer )
50048460	1	ChEMBL_204601 (CHEMBL813363)	Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate
50031731	21	ChEMBL_631405 (CHEMBL1109157)	Inhibition of KIT assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	22	ChEMBL_631406 (CHEMBL1109158)	Inhibition of c-ABL assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	23	ChEMBL_631407 (CHEMBL1109159)	Inhibition of AKT1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	26	ChEMBL_631410 (CHEMBL1109162)	Inhibition of CDC7 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	27	ChEMBL_631411 (CHEMBL1109163)	Inhibition of CDK7 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	30	ChEMBL_631414 (CHEMBL1111951)	Inhibition of EGFR isoform 1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	31	ChEMBL_631415 (CHEMBL1111952)	Inhibition of ERK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	32	ChEMBL_631416 (CHEMBL1111953)	Inhibition of FGFR1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	33	ChEMBL_631417 (CHEMBL1111954)	Inhibition of IGF1R assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	34	ChEMBL_631418 (CHEMBL1111955)	Inhibition of GSK3-beta assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	35	ChEMBL_631419 (CHEMBL1111956)	Inhibition of IKK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	37	ChEMBL_631421 (CHEMBL1111958)	Inhibition of LCK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031731	38	ChEMBL_631422 (CHEMBL1111959)	Inhibition of MAPKAPK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50031732	1	ChEMBL_631946 (CHEMBL1104702)	Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells
50031733	1	ChEMBL_632105 (CHEMBL1115501)	Inhibition of CYP3A4 assessed as dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin
50031733	2	ChEMBL_632118 (CHEMBL1103852)	Inhibition of rat IGF1R
50031733	3	ChEMBL_632103 (CHEMBL1115499)	Inhibition of IGF1R
50008921	4	ChEBML_33269	Binding affinity towards Alpha-1 adrenergic receptor
50008927	7	ChEMBL_159767 (CHEMBL763092)	Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay
50008927	6	ChEBML_158751	In vitro inhibitory concentration required against Cyclooxygenase-1 (COX-1) determined in human whole blood (HWB) assay
50035000	3	ChEBML_218871	Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor
50048461	1	ChEBML_143972	Binding of [3H]saxitoxin (STX) to rat brain sodium channel
50048461	3	ChEMBL_143971 (CHEMBL752562)	Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel
50048461	4	ChEMBL_143972 (CHEMBL749951)	Binding of [3H]saxitoxin (STX) to rat brain sodium channel
50048461	2	ChEBML_143971	Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel
50048462	1	ChEMBL_83628 (CHEMBL858407)	Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates
50048462	2	ChEBML_83627	Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates
50048462	3	ChEMBL_83627 (CHEMBL695758)	Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates
50031736	2	ChEMBL_632382 (CHEMBL1115587)	Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response after 30 mins
50031737	1	ChEMBL_632393 (CHEMBL1115598)	Inhibition of EGFR
50031737	2	ChEMBL_632394 (CHEMBL1115599)	Inhibition of VEGFR1
50031737	3	ChEMBL_632395 (CHEMBL1115600)	Inhibition of VEGFR2
50031737	4	ChEMBL_632396 (CHEMBL1115601)	Inhibition of PDGFRbeta
50031738	1	ChEMBL_632672 (CHEMBL1112810)	Inhibition of human DNA polymerase alpha
50031739	1	ChEMBL_632678 (CHEMBL1112816)	Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA
50031739	2	ChEMBL_632680 (CHEMBL1112818)	Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA
50031739	3	ChEMBL_632679 (CHEMBL1112817)	Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA
50031739	4	ChEMBL_632681 (CHEMBL1112819)	Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA
50031739	5	ChEMBL_632690 (CHEMBL1112828)	Inhibition of PDGF-stimulated PDGFRbeta phosphorylation expressed in mouse NIH/3T3 cells by chemiluminescence assay
50031739	6	ChEMBL_632689 (CHEMBL1112827)	Inhibition of VEGFR2 phosphorylation in HUVEC by chemiluminescence assay
50031740	1	ChEMBL_628976 (CHEMBL1120826)	Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay
50031740	2	ChEMBL_628975 (CHEMBL1120825)	Displacement of FITC-labeled BH3 peptide from GST-tagged mouse Mcl1 after 1 hr by fluorescence polarization assay
50031740	3	ChEMBL_628974 (CHEMBL1120824)	Displacement of FITC-labeled BH3 peptide from human Bcl-XL after 1 hr by fluorescence polarization assay
50031740	4	ChEMBL_628973 (CHEMBL1120823)	Inhibition of human Bcl-XL
50031740	5	ChEMBL_628977 (CHEMBL1120827)	Binding affinity to human Bcl-XL by surface plasma resonance based biosensor system
50035003	4	ChEMBL_139838 (CHEMBL745736)	In vitro functional agonism against M1 muscarinic receptor (PI)
50035003	13	ChEMBL_140091 (CHEMBL752968)	Binding affinity towards human muscarinic M2 receptor
50009032	2	ChEBML_27494	Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method
50031741	2	ChEMBL_629046 (CHEMBL1120950)	Inhibition of LFA1-mediated IL2 mRNA level in SEB-stimulated human whole blood measured after 6 hrs post stimulation by RT-PCR analysis
50048463	2	ChEMBL_79050 (CHEMBL687026)	In vitro antiviral activity against hepatitis C virus (HCV) NS3 protease using scintillation proximity assay
50031741	3	ChEMBL_629043 (CHEMBL1120947)	Inhibition of LFA1-mediated adhesion of C57BL/6 mouse T cells to ICAM1-expressing TNF-alpha-activated mouse b.END3 cells by calcein-AM staining-based fluorescence assay
50031741	5	ChEMBL_629054 (CHEMBL1121012)	Inhibition of CYP1A2
50031741	6	ChEMBL_629250 (CHEMBL1117461)	Inhibition of CYP2C9
50031741	7	ChEMBL_629251 (CHEMBL1117462)	Inhibition of CYP2D6
50031741	8	ChEMBL_629252 (CHEMBL1117463)	Inhibition of CYP2C19
50031741	9	ChEMBL_629253 (CHEMBL1117464)	Inhibition of CYP3A4
50031742	1	ChEMBL_629286 (CHEMBL1117497)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting
50031742	2	ChEMBL_629288 (CHEMBL1117499)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by scintillation counting
50031743	1	ChEMBL_629295 (CHEMBL1103975)	Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate 
50048464	1	ChEMBL_58783 (CHEMBL666970)	Ability to displace [125I]iodosulpiride from human dopamine D3 (hD3) receptor transfected into CHO cells.
50048464	2	ChEMBL_58467 (CHEMBL670398)	Ability to displace [125I]iodosulpiride from human dopamine D2 (hD2) receptor transfected into CHO cells.
50035008	4	ChEMBL_70721 (CHEMBL680514)	Inhibitory concentration against Farnesyltransferase for Farnesylation of H-ras protein InNIH 3T3 cells transformed with activated H-ras
50048465	1	ChEMBL_160230 (CHEMBL764813)	In vitro inhibitory activity against pyruvate dehydrogenase kinase was determined
50035010	5	ChEMBL_46312 (CHEMBL663456)	Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes in absence of agonist 5''-guanylyimidodiphosphate
50009104	2	ChEMBL_157695 (CHEMBL763872)	Binding affinity for HIV protease
50048466	1	ChEMBL_162387 (CHEMBL767475)	Inhibition of protein kinase C
50031746	1	ChEMBL_629526 (CHEMBL1120815)	Transactivation of human ERbeta expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50031746	2	ChEMBL_629525 (CHEMBL1120814)	Transactivation of human ERalpha expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50048467	1	ChEMBL_144863 (CHEMBL750727)	Displacement of [3H]-orphanin FQ from human OrphaninFQ (hOFQ) receptor
50048467	2	ChEMBL_145631 (CHEMBL753544)	Displacement of [3H]-naloxone from Opioid receptor delta 1
50048467	3	ChEMBL_138861 (CHEMBL747707)	Displacement of [3H]naloxone from human mu opioid receptor
50048468	1	ChEMBL_67019 (CHEMBL677493)	Displacement of [3H]estradiol from estrogen receptor-ligand binding domain
50048469	1	ChEBML_144288	Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.
50048469	2	ChEMBL_144288 (CHEMBL754789)	Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.
50048470	1	ChEBML_62601	Tested for the ability to displace [125I]iodosulpiride from human cloned Dopamine receptor D3, expressed in CHO cells
50031748	1	ChEMBL_629567 (CHEMBL1120985)	Antagonist activity at Gal4-fused mineralocorticoid receptor expressed in human HuH7 cells assessed as inhibition of aldosterone-induced receptor activation by luciferase reporter gene assay
50031748	2	ChEMBL_629570 (CHEMBL1120988)	Inhibition of androgen receptor
50031748	3	ChEMBL_629569 (CHEMBL1120987)	Inhibition of glucocorticoid receptor
50031748	4	ChEMBL_629571 (CHEMBL1120989)	Inhibition of progesterone receptor
50031748	5	ChEMBL_629572 (CHEMBL1120990)	Inhibition of estrogen receptor
50031749	1	ChEMBL_629753 (CHEMBL1121265)	Allosteric modulation of human mGluR2 expressed in CHO dhfr cells co-expressing G-protein Galpha16 assessed as potentiation of glutamate-induced calcium flux by FLIPR assay
50031749	2	ChEMBL_629772 (CHEMBL1121284)	Agonist activity at human mGluR2 expressed in CHO dhfr cells co-expressing G-protein Galpha16 assessed as potentiation of glutamate-induced calcium flux by LIPR assay
50031750	1	ChEMBL_630003 (CHEMBL1113002)	Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting
50031750	2	ChEMBL_630002 (CHEMBL1113001)	Binding affinity to mGluR5 ligand binding site 1 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting
50031750	3	ChEMBL_630004 (CHEMBL1113003)	Binding affinity to mGluR5 ligand binding site 2 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting
50031751	1	ChEMBL_630021 (CHEMBL1115661)	Displacement of [111In]DOTA0,Tyr3]octreotide from SSTR2 receptor in rat AR42J cells
50048470	2	ChEBML_60547	Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50048470	3	ChEMBL_60547 (CHEMBL670657)	Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50009267	2	ChEMBL_149051 (CHEMBL761406)	In vivo antagonistic activity against cloned human oxytocin receptor over-expressed in a stable HEK293 cell line
50035020	4	ChEMBL_208880 (CHEMBL814938)	In vitro thrombin inhibition
50035021	6	ChEMBL_33348 (CHEMBL646116)	Binding affinity against human Alpha-2B adrenergic receptor
50009136	4	ChEMBL_92942 (CHEMBL706153)	Inhibition of L-type calcium channels in GH-3 rat pituitary cells
50035015	3	ChEMBL_202555 (CHEMBL804528)	Inhibition of [3H]batrachotoxin binding to rat brain sodium channel
50035015	2	ChEMBL_202556 (CHEMBL804529)	Inhibition of [3H]saxitoxin binding to rat brain sodium channel
50031753	1	ChEMBL_630233 (CHEMBL1105635)	Displacement of [3H]DAMGO from mu opioid receptor from Wistar rat brain by liquid scintillation counting
50031753	2	ChEMBL_630236 (CHEMBL1105638)	Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction
50031753	3	ChEMBL_630234 (CHEMBL1105636)	Displacement of [3H]deltorphin-2 from delta opioid receptor from Wistar rat brain by liquid scintillation counting
50031754	2	ChEMBL_630247 (CHEMBL1106456)	Displacement of [3H]estradiol from human placental 17beta-HSD2
50035021	17	ChEMBL_33795 (CHEMBL648120)	Binding affinity against human Alpha-2b adrenergic receptor
50048471	1	ChEMBL_60391 (CHEMBL672227)	Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50048471	2	ChEMBL_62457 (CHEMBL679229)	Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
50048472	1	ChEMBL_1978 (CHEMBL617583)	Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.
50035024	4	ChEMBL_177421 (CHEMBL784400)	Inhibition of veratridine-induced depolarization in rat cerebrocortical synaptosomes using the voltage sensitive fluorescent dye Rhodamine 6G
50035024	5	ChEMBL_58552 (CHEMBL667487)	Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes
50035026	2	ChEMBL_68564 (CHEMBL679651)	Displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor in rat brain membranes
50048473	1	ChEMBL_83499 (CHEMBL694068)	Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes
50009317	5	ChEMBL_105816 (CHEMBL717816)	Inhibitory activity against matrix metalloprotease (MMP-1)
50009318	7	ChEMBL_34411 (CHEMBL649415)	Inhibitory activity against alpha-glucosidase from rat intestinal maltase at concentration 1 mM
50009344	3	ChEMBL_51683 (CHEMBL664785)	In vitro inhibitory potency against U-937 microsomal COX-1; 1-3
50009348	7	ChEMBL_143135 (CHEMBL744179)	Norepinephrine transporter activity was determined by inhibition of monoamine [3H]-NE reuptake
50048474	1	ChEBML_153093	Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.
50048474	2	ChEMBL_153093 (CHEMBL761056)	Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.
50035028	4	ChEMBL_618 (CHEMBL615168)	Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells
50009429	2	ChEMBL_210823 (CHEMBL811852)	Inhibition of tryptase activity
50009432	4	ChEMBL_162548 (CHEMBL768535)	In vitro inhibition of PKC mediated DNA cleavage.
50035029	5	ChEMBL_202130 (CHEMBL808119)	Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter
50009435	4	ChEMBL_154518 (CHEMBL764404)	Transcriptional activation of peroxisome proliferator activated receptor gamma
50009435	5	ChEMBL_154211 (CHEMBL759456)	Inhibitory concentration of the PPAR gamma)
50009439	6	ChEMBL_162549 (CHEMBL768536)	Inhibition of protein kinase C (PKC)
50009440	3	ChEMBL_138477 (CHEMBL857565)	Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assay
50009440	4	ChEMBL_138478 (CHEMBL747467)	Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assay
50048475	2	ChEMBL_47607 (CHEMBL659818)	Inhibitory activity against Cathepsin B was determined
50048476	1	ChEMBL_225817 (CHEMBL844433)	Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C
50048476	2	ChEMBL_225815 (CHEMBL844431)	Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C
50048476	3	ChEMBL_225816 (CHEMBL844432)	Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C
50048477	1	ChEMBL_153318 (CHEMBL760054)	Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)
50048477	2	ChEMBL_32524 (CHEMBL641405)	Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor
50048478	1	ChEBML_99792	In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation
50048478	2	ChEMBL_99792 (CHEMBL709825)	In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation
50035036	3	ChEBML_37574	Inhibitory activity against beta-glucosidase of sweet almond
50035036	4	ChEBML_33934	Inhibitory activity against alpha-glucosidase of yeast
50035037	6	ChEMBL_214383 (CHEMBL821114)	Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor
50035037	4	ChEBML_149040	Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor
50035037	7	ChEMBL_149040 (CHEMBL762233)	Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor
50048480	1	ChEBML_153664	Compound was tested for its binding affinity towards Penicillin-binding protein 2a (PBP2a) using [13H]-benzylpenicillin
50035039	11	ChEMBL_220925 (CHEMBL881609)	Binding affinity towards human kappa opioid receptor in CHO cells using [3H]- U-69,593 as radioligand
50008679	3	ChEMBL_207975 (CHEMBL815802)	Inhibition of human Thrombin
50008679	4	ChEMBL_212705 (CHEMBL821309)	In vitro inhibitory activity against human trypsin
50048481	1	ChEBML_142706	Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum
50048481	2	ChEBML_144914	Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung
50035035	3	ChEMBL_53373 (CHEMBL666618)	Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line
50035035	4	ChEMBL_35494 (CHEMBL646404)	Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line
50035037	8	ChEMBL_215014 (CHEMBL818812)	Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor
50031772	1	ChEMBL_633761 (CHEMBL1119325)	Inhibition of Trypanosoma brucei rhodesiense recombinant rhodesain
50031772	2	ChEMBL_633764 (CHEMBL1119328)	Inhibition of human liver cathepsin B
50031772	3	ChEMBL_633765 (CHEMBL1119329)	Inhibition of bovine spleen cathepsin L
50031773	1	ChEMBL_633769 (CHEMBL1119333)	Inhibition of AChE
50031774	1	ChEMBL_633641 (CHEMBL1117899)	Inhibition of FAK
50031774	2	ChEMBL_633640 (CHEMBL1117898)	Inhibition of PYK2
50031774	3	ChEMBL_633633 (CHEMBL1117891)	Inhibition of ABL1
50031774	4	ChEMBL_633635 (CHEMBL1117893)	Inhibition of CSK
50031774	5	ChEMBL_633634 (CHEMBL1117892)	Inhibition of KIT
50031774	6	ChEMBL_633632 (CHEMBL1117890)	Inhibition of YES
50031774	7	ChEMBL_633624 (CHEMBL1117767)	Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in CHO cells
50031774	8	ChEMBL_633623 (CHEMBL1117766)	Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells
50031774	9	ChEMBL_633620 (CHEMBL1117763)	Antagonist activity at cannabinoid CB2 receptor
50031774	10	ChEMBL_633616 (CHEMBL1117759)	Agonist activity at mouse EP4 receptor expressed in CHO cells assessed as cAMP production
50031774	11	ChEMBL_633615 (CHEMBL1117758)	Binding affinity to mouse EP3 receptor by competitive binding assay
50031774	12	ChEMBL_633534 (CHEMBL1119848)	Agonist activity at rat EP4 receptor expressed in HEK293 cells assessed as cAMP activation
50031774	13	ChEMBL_633367 (CHEMBL1120689)	Inhibition of GSK3-beta
50031774	14	ChEMBL_633630 (CHEMBL1117888)	Inhibition of SRC
50031774	15	ChEMBL_633627 (CHEMBL1117885)	Binding affinity to GPR55
50031774	16	ChEMBL_633626 (CHEMBL1117884)	Binding affinity to cannabinoid CB2 receptor
50031774	17	ChEMBL_633625 (CHEMBL1117768)	Binding affinity to cannabinoid CB1 receptor
50031774	18	ChEMBL_633614 (CHEMBL1117757)	Binding affinity to mouse EP4 receptor by competitive binding assay
50031774	19	ChEMBL_633613 (CHEMBL1117756)	Binding affinity to mouse EP2 receptor by competitive binding assay
50031774	20	ChEMBL_633383 (CHEMBL1120705)	Binding affinity to rat EP4 receptor
50031774	21	ChEMBL_633382 (CHEMBL1120704)	Binding affinity to rat EP2 receptor
50031774	22	ChEMBL_633381 (CHEMBL1120703)	Binding affinity to EP4 receptor
50031774	23	ChEMBL_633380 (CHEMBL1120702)	Binding affinity to EP3 receptor
50031774	24	ChEMBL_633379 (CHEMBL1120701)	Binding affinity to EP2 receptor
50031774	25	ChEMBL_633378 (CHEMBL1120700)	Binding affinity to EP1 receptor
50031774	26	ChEMBL_633356 (CHEMBL1120576)	Inhibition of CaSR
50031774	27	ChEMBL_633352 (CHEMBL1120572)	Inhibition of integrin alpha-V-beta-3-mediated adhesion of human cells M21 cells
50031774	28	ChEMBL_633353 (CHEMBL1120573)	Inhibition of integrin alphaVbeta3
50031774	29	ChEMBL_633772 (CHEMBL1119722)	Inhibition of cathepsin K at enzyme-substrate complex state
50031774	30	ChEMBL_633771 (CHEMBL1119721)	Inhibition of humanized rabbit cathepsin K
50031774	31	ChEMBL_633770 (CHEMBL1119720)	Inhibition of cathepsin K
50031774	32	ChEMBL_633303 (CHEMBL1120142)	Agonist activity at PTH1R overexpressed in HEK293 cells assessed as intracellular cAMP production
50031774	33	ChEMBL_633354 (CHEMBL1120574)	Agonist activity at PTH1R overexpressed in HEK293 cells assessed as intracellular cAMP mobilization
50031774	34	ChEMBL_633357 (CHEMBL1120577)	Inhibition of CaSR in bovine parathyroid cells assessed as increase in PTH level
50031774	35	ChEMBL_633355 (CHEMBL1120575)	Inhibition of human CaSR expressed in HEK293 cells
50031774	36	ChEMBL_633351 (CHEMBL1120571)	Displacement of [125I]echistatin from integrin alphaVbeta3 in human NCI-H1975 cells after 3 hrs by gamma counting
50031774	37	ChEMBL_633322 (CHEMBL1120161)	Inhibition of rat cathepsin K
50031774	38	ChEMBL_633321 (CHEMBL1120160)	Inhibition of human cathepsin K
50031775	1	ChEMBL_633683 (CHEMBL1118308)	Agonist activity at GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production by HTRF assay
50048481	4	ChEMBL_142706 (CHEMBL744937)	Inhibitory activity against Neurokinin 2 (NK2) receptor from guinea pig ileum
50048481	5	ChEMBL_144914 (CHEMBL749479)	Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung
50048481	3	ChEMBL_144913 (CHEMBL749478)	Inhibitory activity against Neurokinin 1 (NK1) receptor from guinea pig lung
50031777	1	ChEMBL_635273 (CHEMBL1118377)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells
50031777	2	ChEMBL_635274 (CHEMBL1118378)	Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK293-EBNA cells
50031778	2	ChEMBL_635293 (CHEMBL1119491)	Inhibition of androgen receptor
50031778	3	ChEMBL_635294 (CHEMBL1119492)	Inhibition of estrogen receptor
50031778	4	ChEMBL_635295 (CHEMBL1119493)	Inhibition of glucocorticoid receptor
50031778	5	ChEMBL_635296 (CHEMBL1119494)	Inhibition of mineralocorticoid receptor
50031778	6	ChEMBL_635297 (CHEMBL1119495)	Antagonist activity at progesterone receptor in human T47D cells by alkaline phosphatase release
50031779	3	ChEMBL_635331 (CHEMBL1119644)	Inhibition of EGFR
50031779	5	ChEMBL_635339 (CHEMBL1119652)	Inhibition of VEGFR1 at 3 uM
50031779	7	ChEMBL_635311 (CHEMBL1119624)	Inhibition of human recombinant TIE-2 by time resolved fluorescence measurements
50031780	1	ChEMBL_635472 (CHEMBL1120622)	Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay
50031780	3	ChEMBL_635476 (CHEMBL1117710)	Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay
50031780	4	ChEMBL_635470 (CHEMBL1120620)	Agonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF assay
50008734	12	ChEMBL_51499 (CHEMBL665834)	Inhibitory activity against Cyclooxygenase (COX) using broken rat barophilic leukemia cells (RBL-1)
50008734	14	ChEMBL_51501 (CHEMBL665836)	Inhibitory activity against cyclooxygenase (COX) in intact rat barophilic leukemia cells (RBL-1)
50031780	7	ChEMBL_635472 (CHEMBL1120622)	Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay
50031781	1	ChEMBL_635486 (CHEMBL1117720)	Inhibition of ROCK1 assessed as ATP cunsumption
50031781	2	ChEMBL_635489 (CHEMBL1117723)	Inhibition of ROCK1 in human GTM3 cells by impedance assay
50031782	1	ChEMBL_635509 (CHEMBL1117743)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50031783	1	ChEMBL_635526 (CHEMBL1118109)	Inhibition of Pseudomonas aeruginosa PAO1 ExsA DNA binding activity
50031783	2	ChEMBL_635525 (CHEMBL1118108)	Inhibition of Pseudomonas aeruginosa 388 ExsA DNA binding activity
50031784	1	ChEMBL_635632 (CHEMBL1119082)	Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells
50031784	2	ChEMBL_635633 (CHEMBL1119525)	Agonist activity at human niacin receptor expressed in CHO-KI cells by [35S]GTPgammaS binding assay
50031785	1	ChEMBL_635659 (CHEMBL1119551)	Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation proximity assay
50031785	2	ChEMBL_635652 (CHEMBL1119544)	Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation proximity assay
50031785	4	ChEMBL_635657 (CHEMBL1119549)	Agonist activity at human recombinant P2Y14 receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation proximity assay
50048482	1	ChEMBL_217822 (CHEMBL821729)	Inhibitory activity of compound against CaMKII
50031786	1	ChEMBL_635680 (CHEMBL1119709)	Inhibition of human recombinant PDE10A expressed in baculovirus-SF21 cell system assessed as hydrolysis of [3H]cAMP after 1 hr by liquid scintillation counting
50031786	2	ChEMBL_635690 (CHEMBL1119719)	Inhibition of PDE7B
50031786	3	ChEMBL_635691 (CHEMBL1120089)	Inhibition of PDE8A
50031786	4	ChEMBL_635692 (CHEMBL1120090)	Inhibition of PDE9A
50031786	5	ChEMBL_635685 (CHEMBL1119714)	Inhibition of PDE2A
50031786	7	ChEMBL_635687 (CHEMBL1119716)	Inhibition of PDE4A
50031786	8	ChEMBL_635684 (CHEMBL1119713)	Inhibition of PDE1B
50031786	9	ChEMBL_635686 (CHEMBL1119715)	Inhibition of PDE3A
50048483	1	ChEMBL_101112 (CHEMBL710208)	Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation
50008765	4	ChEMBL_221965 (CHEMBL842783)	In vitro activity against topoisomerase-2 mediated cleavage of supercoiled pBR322 plasmid DNA
50031787	2	ChEMBL_633816 (CHEMBL1119894)	Inhibition of HDAC8
50031787	3	ChEMBL_633817 (CHEMBL1119895)	Inhibition of HDAC2
50031787	4	ChEMBL_633818 (CHEMBL1119896)	Inhibition of HDAC3
50031787	5	ChEMBL_633819 (CHEMBL1119897)	Inhibition of HDAC4
50031787	7	ChEMBL_633821 (CHEMBL1119899)	Inhibition of HDAC6
50031787	9	ChEMBL_633823 (CHEMBL1119901)	Inhibition of HDAC9
50031787	10	ChEMBL_633824 (CHEMBL1119902)	Inhibition of HDAC10
50031787	11	ChEMBL_633825 (CHEMBL1119903)	Inhibition of HDAC11
50048484	1	ChEMBL_100612 (CHEMBL715092)	Inhibition of steady-state expression of Raf-1 in MCF-7 breast cancer cells
50031787	12	ChEMBL_633815 (CHEMBL1119893)	Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation
50035044	4	ChEMBL_102117 (CHEMBL710594)	Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B)
50035044	5	ChEMBL_101758 (CHEMBL709114)	Inhibition of MMP-1 (human fibroblast collagenase)
50008777	2	ChEMBL_64663 (CHEMBL674814)	pKi against human leukocyte elastase (HLE)
50008783	6	ChEMBL_145335 (CHEMBL750570)	Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1
50031788	1	ChEMBL_633973 (CHEMBL1117823)	Inhibition of CYP2C9 in human liver microsomes
50031788	2	ChEMBL_633972 (CHEMBL1117822)	Inhibition of CYP2C8 in human liver microsomes
50031788	3	ChEMBL_633970 (CHEMBL1117820)	Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum
50031788	4	ChEMBL_633873 (CHEMBL1120319)	Displacement of [3H]niacin from GRP109A receptor
50031789	1	ChEMBL_633998 (CHEMBL1117971)	Agonist activity at Gal4-fused human PPARdelta
50031789	2	ChEMBL_633999 (CHEMBL1117972)	Agonist activity at Gal4-fused mouse PPARalpha
50031789	3	ChEMBL_634000 (CHEMBL1117973)	Agonist activity at Gal4-fused mouse PPARgamma
50031789	4	ChEMBL_634001 (CHEMBL1117974)	Agonist activity at Gal4-fused mouse PPARdelta
50031789	5	ChEMBL_633996 (CHEMBL1117969)	Agonist activity at Gal4-fused human PPARalpha
50031789	6	ChEMBL_633997 (CHEMBL1117970)	Agonist activity at Gal4-fused human PPARgamma
50031790	1	ChEMBL_634016 (CHEMBL1117989)	Displacement of [3H]histamine from human recombinant histamine H4 receptor
50031790	2	ChEMBL_634017 (CHEMBL1117990)	Agonist activity at human histamine H4 receptor in SK-N-MC cells assessed as forskolin-stimulated cAMP release preincubated for 10 mins before forskolin challenge
50031790	3	ChEMBL_634018 (CHEMBL1117991)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in human SK-N-MC cells
50031790	4	ChEMBL_634019 (CHEMBL1117992)	Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells
50031790	5	ChEMBL_634020 (CHEMBL1117993)	Displacement of [125H]iodoproxyphan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells
50031790	6	ChEMBL_634021 (CHEMBL1117994)	Displacement of [3H]histamine from mouse recombinant histamine H4 receptor
50031790	7	ChEMBL_634024 (CHEMBL1117997)	Intrinsic activity at mouse histamine H4 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-induced cAMP responsive element-beta-galactosidase activity after 6 hrs by colorimetric cAMP assay
50031791	1	ChEMBL_634029 (CHEMBL1118158)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells by scintillation proximity assay
50031792	1	ChEMBL_634039 (CHEMBL1118311)	Displacement of [3H]neurotensin from NTR1 in human HT29 cells after 30 mins by liquid scintillation spectrometry
50031793	1	ChEMBL_634040 (CHEMBL1118312)	Inhibition of electric eel AChE after 15 mins by Ellman's method
50031793	2	ChEMBL_634041 (CHEMBL1118313)	Inhibition of horse serum BChE after 15 mins by Ellman's method
50031794	1	ChEMBL_634056 (CHEMBL1118328)	Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting
50031794	2	ChEMBL_634057 (CHEMBL1118329)	Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting
50031794	3	ChEMBL_634158 (CHEMBL1119165)	Inhibition of human ERG by patch clamp assay
50031794	4	ChEMBL_634177 (CHEMBL1119616)	Displacement of [125I]DOI from human recombinant 5HT2B receptor expressed in HEK293 cells by scintillation counting
50031794	5	ChEMBL_634153 (CHEMBL1119160)	Inverse agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of inositol phosphate accumulation
50031795	1	ChEMBL_634191 (CHEMBL1119773)	Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay
50031796	2	ChEMBL_634221 (CHEMBL1119803)	Antagonist activity at rat TRPV1 assessed as inhibition of capsaicin-induced effect
50018115	22	ChEMBL_2264681	Inhibition of CDK8/Cyclin C (unknown origin) by LanthaScreen binding assay
50009474	6	ChEMBL_199525 (CHEMBL802499)	The compound was evaluated for its binding affinity against mutant H85N scytalone dehydratase
50009474	3	ChEMBL_199526 (CHEMBL803137)	The compound was evaluated for its binding affinity against mutant N131A scytalone dehydratase
50018115	23	ChEMBL_2264682	Inhibition of CDK19/Cyclin C (unknown origin) by LanthaScreen binding assay
50018115	24	ChEMBL_2264683	Inhibition of CDK9/cyclin T1 (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50018115	25	ChEMBL_2264684	Inhibition of CDK1/cyclin B1 (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50048485	1	ChEMBL_156460 (CHEMBL764838)	Inhibition of Phosphodiesterase 3 extracted from dog aorta smooth muscle cells by using radioligands [3H]cAMP or [3H]-cGMP.
50048485	2	ChEMBL_178809 (CHEMBL784398)	Binding affinity against high affinity rolipram binding site (HARBS) was determined by displacing radioactive [3H]rolipram from brain membrane suspensions of Wistar rats
50048485	3	ChEMBL_156178 (CHEMBL760947)	Inhibitory activity against phosphodiesterase 1/5 (PDE1/5) extracted from guinea pig trachea smooth muscle cells by using radioligands [3H]-cAMP or [3H]cGMP
50048485	4	ChEMBL_157054 (CHEMBL769677)	Inhibition of phosphodiesterase 4 extracted from human U937 cells by using radioligands [3H]-cAMP or [3H]cGMP.
50048485	5	ChEMBL_222830 (CHEMBL844366)	Displacement of [3H]rolipram from rat brain membrane suspensions
50031797	2	ChEMBL_634234 (CHEMBL1120181)	Binding affinity to human thromboxane A2 receptor by radioligand displacement assay
50031798	1	ChEMBL_634291 (CHEMBL1120372)	Inhibition of FMS
50031798	2	ChEMBL_634292 (CHEMBL1120373)	Inhibition of KDR
50031799	1	ChEMBL_634304 (CHEMBL1120717)	Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor
50031799	2	ChEMBL_634305 (CHEMBL1120718)	Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor
50031799	3	ChEMBL_634306 (CHEMBL1120719)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50031800	2	ChEMBL_634309 (CHEMBL1120722)	Inhibition of Aurora A
50031800	3	ChEMBL_634310 (CHEMBL1120723)	Inhibition of KDR
50031800	4	ChEMBL_634311 (CHEMBL1120724)	Inhibition of LCK
50031800	5	ChEMBL_634312 (CHEMBL1120725)	Inhibition of Tie2
50031801	1	ChEMBL_634326 (CHEMBL1120739)	Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells
50031801	2	ChEMBL_634327 (CHEMBL1120740)	Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells
50031801	3	ChEMBL_634333 (CHEMBL1120746)	Inhibition of human ERG
50031801	4	ChEMBL_634323 (CHEMBL1120736)	Inhibition of SERT-mediated serotonin uptake in human JAR cells
50031801	5	ChEMBL_634325 (CHEMBL1120738)	Displacement of [3H]WIN-35428 from human recombinant DAT expressed in CHO cells
50031802	1	ChEMBL_634375 (CHEMBL1118038)	Inhibition of biotinylated VEGF165 binding to human recombinant VEGFR1 domain 1 to 3 by competitive binding assay
50031802	2	ChEMBL_634373 (CHEMBL1118036)	Inhibition of biotinylated VEGF165 binding to human recombinant VEGFR1 extracellular domain by competitive binding assay
50031803	1	ChEMBL_634407 (CHEMBL1118184)	Binding affinity to glucocorticoid receptor
50031803	2	ChEMBL_634402 (CHEMBL1118179)	Binding affinity to estrogen receptor
50031803	3	ChEMBL_634401 (CHEMBL1118178)	Binding affinity to progesterone receptor by PRB assay
50031803	4	ChEMBL_634400 (CHEMBL1118177)	Antagonist activity at androgen receptor in human MDA-MB-453 cells coexpressing MMTV-ARE reporter gene assessed as inhibition of DHT-induced response
50031803	5	ChEMBL_634399 (CHEMBL1118176)	Displacement of [3H]DHT from human AR expressed in baculovirus Sf9 cells system by scintillation counting
50031804	1	ChEMBL_634455 (CHEMBL1119481)	Inhibition of CDK2
50042161	2	ChEMBL_66425 (CHEMBL682171)	The inhibitory activity by using FK506 binding protein 12 SPA binding assay.
50031804	4	ChEMBL_634451 (CHEMBL1119477)	Inhibition of human recombinant Aurora A after 30 mins
50031804	5	ChEMBL_634496 (CHEMBL1120011)	Inhibition of VEGFR2
50031804	6	ChEMBL_634495 (CHEMBL1120010)	Inhibition of LCK
50031804	7	ChEMBL_634494 (CHEMBL1120009)	Inhibition of SRC
50031804	8	ChEMBL_634493 (CHEMBL1120008)	Inhibition of p70S6K
50031804	9	ChEMBL_634492 (CHEMBL1120007)	Inhibition of PLK1
50031804	10	ChEMBL_634491 (CHEMBL1120006)	Inhibition of SAPK2A
50031804	11	ChEMBL_634488 (CHEMBL1120003)	Inhibition of GSK3-beta
50031804	12	ChEMBL_634487 (CHEMBL1120002)	Inhibition of GSK3alpha
50031804	13	ChEMBL_634486 (CHEMBL1120001)	Inhibition of FLT3
50031804	14	ChEMBL_634485 (CHEMBL1120000)	Inhibition of ERK2
50031804	15	ChEMBL_634482 (CHEMBL1119890)	Inhibition of AKT
50031804	16	ChEMBL_634481 (CHEMBL1119889)	Inhibition of ABL
50031804	21	ChEMBL_634458 (CHEMBL1119484)	Inhibition of CDK9
50031804	22	ChEMBL_634457 (CHEMBL1119483)	Inhibition of CDK7
50031804	23	ChEMBL_634456 (CHEMBL1119482)	Inhibition of CDK4
50009865	3	ChEMBL_34597 (CHEMBL645556)	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cortex membranes
50031806	2	ChEMBL_634588 (CHEMBL1117929)	Inhibition of ROCK1
50031806	3	ChEMBL_634589 (CHEMBL1117930)	Inhibition of Prkce
50009904	2	ChEMBL_214670 (CHEMBL820788)	Inhibitory concentration against VLA-4 receptor using human VCAM-VLA-4 binding assay
50031806	5	ChEMBL_634591 (CHEMBL1117932)	Inhibition of CDc42
50031806	6	ChEMBL_634592 (CHEMBL1117933)	Inhibition of Prkcl2
50035053	3	ChEMBL_48249 (CHEMBL884337)	Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane
50035053	4	ChEMBL_50044 (CHEMBL662413)	Compound was evaluated for the binding affinity towards rat pancreatic Cholecystokinin type A receptor
50009988	3	ChEMBL_195096 (CHEMBL878861)	Binding affinity of compound to human recombinant Ribonuclease L was evaluated
50035056	7	ChEMBL_62495 (CHEMBL677552)	Compound was tested for its ability to inhibit high affinity uptake of [3H]DA into rat striatal membrane
50035056	8	ChEMBL_201988 (CHEMBL809433)	Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in rat
50048486	1	ChEMBL_28927 (CHEMBL637747)	Inhibitory constant against wild type Acetylcholinesterase
50010046	6	ChEMBL_34344 (CHEMBL649157)	Inhibition of binding of [125I]HEAT to cloned human alpha-1B adrenergic receptor.
50010049	9	ChEMBL_156902 (CHEMBL767092)	Phosphodiesterase 4 inhibitory activity measured against guinea pig macrophage homogenate
50031807	1	ChEMBL_634656 (CHEMBL1118096)	Displacement of [3H]-cortisone human 17beta-HSD1 expressed in Escherichia coli after 30 mins by scintillation proximity assay
50031807	2	ChEMBL_634657 (CHEMBL1118530)	Displacement of [3H]-cortisone human 17beta-HSD1 expressed in HEK293 cells after 30 mins by scintillation proximity assay
50031807	3	ChEMBL_634658 (CHEMBL1118531)	Inhibition of 11beta-HSD2
50031807	4	ChEMBL_634659 (CHEMBL1118532)	Inhibition of 11beta-HSD1
50031807	5	ChEMBL_634660 (CHEMBL1118533)	Inhibition of glucocorticoid receptor
50031807	6	ChEMBL_634677 (CHEMBL1118550)	Inhibition of CYP3A4
50031807	7	ChEMBL_634678 (CHEMBL1118551)	Inhibition of CYP2D6
50031807	8	ChEMBL_634679 (CHEMBL1118552)	Inhibition of CYP1A2
50031807	9	ChEMBL_634680 (CHEMBL1118553)	Inhibition of CYP2C9
50031807	10	ChEMBL_634681 (CHEMBL1118554)	Inhibition of CYP2C19
50031808	1	ChEMBL_634707 (CHEMBL1118792)	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells
50031808	5	ChEMBL_634711 (CHEMBL1118796)	Binding affinity to 5HT4 receptor
50031808	6	ChEMBL_634712 (CHEMBL1118797)	Binding affinity to adrenergic alpha2A receptor
50031808	8	ChEMBL_634714 (CHEMBL1118799)	Binding affinity to human ERG expressed in CHO cells
50031808	9	ChEMBL_634700 (CHEMBL1118785)	Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay
50031809	1	ChEMBL_634727 (CHEMBL1119343)	Inhibition of human cRAF using [33P-ATP] as a substrate by scintillation counting
50031810	1	ChEMBL_634759 (CHEMBL1119375)	Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting
50031810	2	ChEMBL_634760 (CHEMBL1119376)	Binding affinity to LAT1 in rat brain
50031811	1	ChEMBL_634822 (CHEMBL1120072)	Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins
50031811	2	ChEMBL_634823 (CHEMBL1120073)	Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid
50031811	3	ChEMBL_634825 (CHEMBL1120075)	Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid
50035064	2	ChEBML_68485	Inhibitory activity against recombinant mammalian protein Farnesyltransferase expressed in baculovirus
50031813	1	ChEMBL_634849 (CHEMBL1120481)	Inhibition of FLAG-tagged IKK-beta after 30 mins
50031813	2	ChEMBL_634855 (CHEMBL1120487)	Inhibition of IKK-beta expressed in human HeLa cells transfected with pNFkappaB-luciferase assessed inhibition of TNF-alpha-induced NF-kappaB expression by luciferase reporter gene assay
50031814	1	ChEMBL_634857 (CHEMBL1120489)	Displacement [3H]Arg human recombinant Vasopressin V2 receptor
50031814	2	ChEMBL_634856 (CHEMBL1120488)	Displacement [3H]Arg human recombinant Vasopressin V1a receptor
50031814	3	ChEMBL_634859 (CHEMBL1120491)	Antagonist activity at human Vasopressin V1a receptor assessed as inhibition of intracellular calcium mobilization by FLIPR assay
50031814	4	ChEMBL_634860 (CHEMBL1120492)	Antagonist activity at human Vasopressin 2 receptor assessed as inhibition of intracellular cAMP accumulation
50035065	14	ChEMBL_90437 (CHEMBL697426)	Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cells
50048487	1	ChEBML_2884	Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]5-HT
50048487	2	ChEBML_2760	Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine
50048487	3	ChEBML_2529	Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]ketanserin
50048487	4	ChEMBL_2884 (CHEMBL617786)	Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displacement of [3H]5-HT
50048487	5	ChEMBL_2760 (CHEMBL617757)	Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine
50048487	6	ChEMBL_2529 (CHEMBL616879)	Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by displacement of [3H]ketanserin
50048488	1	ChEMBL_2761 (CHEMBL617758)	In vitro binding affinity at human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by [3H]mesulergine displacement.
50048488	2	ChEMBL_2885 (CHEMBL617787)	In vitro binding affinity at human cloned 5-hydroxytryptamine 2B receptor of HEK293 cells by [3H]5-HT displacement.
50031816	1	ChEMBL_634906 (CHEMBL1120633)	Displacement of [3H]PGD2 from human Prostanoid DP1 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	3	ChEMBL_634916 (CHEMBL1117770)	Antagonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay in presence of 10% human serum
50031816	5	ChEMBL_634916 (CHEMBL1117770)	Antagonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay in presence of 10% human serum
50031816	7	ChEMBL_634909 (CHEMBL1120636)	Displacement of [3H]PGE2 from human prostanoid EP3 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50048488	3	ChEMBL_2530 (CHEMBL616880)	In vitro binding affinity at human cloned 5-hydroxytryptamine 2A receptor of HEK293 cells by [3H]ketanserin displacement.
50031816	9	ChEMBL_634911 (CHEMBL1117651)	Displacement of [3H]iloprost from human prostanoid IP receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	10	ChEMBL_634912 (CHEMBL1117652)	Displacement of [3H]SQ-29548 from human prostanoid TP receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	11	ChEMBL_634913 (CHEMBL1117653)	Displacement of [3H]PGF2alpha from human prostanoid FP receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	12	ChEMBL_634907 (CHEMBL1120634)	Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031816	13	ChEMBL_634908 (CHEMBL1120635)	Displacement of [3H]PGE2 from human prostanoid EP2 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50031817	1	ChEMBL_635026 (CHEMBL1118577)	Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins
50035071	8	ChEMBL_60691 (CHEMBL675857)	In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D4 expressed in CHO cells
50035071	9	ChEMBL_62278 (CHEMBL674413)	In vitro displacement of [3H]spiperone from the cloned human dopamine receptor D3 stably expressed in CHO cells
50035074	13	ChEMBL_161135 (CHEMBL767403)	Binding affinity for Protein kinase C eta C1a domain
50035074	27	ChEMBL_161446 (CHEMBL772580)	Binding affinity for Protein kinase C theta C1a domain
50048489	1	ChEMBL_157035 (CHEMBL765678)	Inhibition of Phosphodiesterase 4 from human U937 cells
50048489	2	ChEMBL_157036 (CHEMBL765679)	Inhibition of Phosphodiesterase 4 from human U937 cells
50048489	3	ChEMBL_195884 (CHEMBL799006)	Inhibition of rolipram binding in rat brain tissue
50048489	4	ChEMBL_195887 (CHEMBL799009)	Inhibition of rolipram binding to rat brain tissue
50048489	5	ChEMBL_195885 (CHEMBL799007)	Inhibition of rolipram binding to rat brain tissue at 20 uM
50031820	1	ChEMBL_635042 (CHEMBL1118593)	Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate
50031820	2	ChEMBL_635043 (CHEMBL1118594)	Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate
50031820	3	ChEMBL_635044 (CHEMBL1118595)	Agonist activity at human alpha7 nACHR expressed in Xenopus oocyte assessed as activation of current by voltage clamp method
50031820	4	ChEMBL_635046 (CHEMBL1118597)	Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp
50031821	1	ChEMBL_635048 (CHEMBL1118599)	Inhibition of electric eel AChE
50031821	2	ChEMBL_635049 (CHEMBL1118600)	Inhibition of equine serum BuChE
50031822	1	ChEMBL_635051 (CHEMBL1118602)	Inhibition of human soluble epoxide hydrolase assessed as [2-3H]trans-1,3-diphenyl propylene oxide hydrolysis by cellular assay
50031822	2	ChEMBL_635052 (CHEMBL1118603)	Inhibition of human soluble epoxide hydrolase
50031822	3	ChEMBL_635053 (CHEMBL1119167)	Inhibition of rat soluble epoxide hydrolase
50031822	4	ChEMBL_635054 (CHEMBL1119168)	Inhibition of CYP2J2
50031822	5	ChEMBL_635055 (CHEMBL1119169)	Inhibition of CYP2C9
50031823	1	ChEMBL_635061 (CHEMBL1119175)	Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay
50031823	2	ChEMBL_635067 (CHEMBL1119181)	Inhibition of CYP2D6
50031824	2	ChEMBL_635072 (CHEMBL1119186)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50031824	3	ChEMBL_635072 (CHEMBL1119186)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50031824	4	ChEMBL_635069 (CHEMBL1119183)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction
50031824	5	ChEMBL_635068 (CHEMBL1119182)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50031825	1	ChEMBL_635075 (CHEMBL1119385)	Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutininin by phage ELISA
50048489	6	ChEMBL_195886 (CHEMBL799008)	Inhibition of rolipram binding to rat brain tissue at 20 uM
50010231	15	ChEMBL_223440 (CHEMBL843947)	Inhibition of p56 Lck tyrosine kinase at 5 uM ATP
50031827	1	ChEMBL_635108 (CHEMBL1119418)	Inhibition of human recombinant cathepsin S expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence assay
50031827	2	ChEMBL_635107 (CHEMBL1119417)	Inhibition of cathepsin S in human B cells
50031828	1	ChEMBL_635186 (CHEMBL1120541)	Agonist activity at human TLR7 expressed in NF-kappaB-stimulated HEK293 cells assessed as induction of secreted alkaline phosphatase expression by reporter gene assay
50031829	1	ChEMBL_635249 (CHEMBL1118189)	Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig forebrain by liquid scintillation counting
50031829	2	ChEMBL_635250 (CHEMBL1118190)	Displacement of [3H]U69493 from kappa opioid receptor in Hartley guinea pig cerebellum by liquid scintillation counter
50031830	1	ChEMBL_635344 (CHEMBL1119657)	Inhibition of PI3Kalpha
50031830	2	ChEMBL_635345 (CHEMBL1119658)	Inhibition of mTOR
50031830	3	ChEMBL_635348 (CHEMBL1119661)	Inhibition of PI3Kbeta
50031830	4	ChEMBL_635349 (CHEMBL1119662)	Inhibition of PI3gamma
50031830	5	ChEMBL_635350 (CHEMBL1119663)	Inhibition of PI3delta
50031831	1	ChEMBL_635365 (CHEMBL1119678)	Inhibition of DPP8
50048490	1	ChEMBL_156913 (CHEMBL763947)	Inhibition of Phosphodiesterase 4 from human neutrophils
50048490	2	ChEMBL_154558 (CHEMBL757893)	Inhibition of rolipram binding to PDE4 from human neutrophils
50031831	4	ChEMBL_635367 (CHEMBL1119680)	Inhibition of DPP2
50031831	5	ChEMBL_635366 (CHEMBL1119679)	Inhibition of DPP9
50031831	7	ChEMBL_635373 (CHEMBL1119686)	Inhibition of DPP4 in presence of 50% human serum
50031832	1	ChEMBL_635391 (CHEMBL1120062)	Displacement of labeled ITAC from CXCR3
50031832	2	ChEMBL_635393 (CHEMBL1120064)	Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs
50031832	3	ChEMBL_635407 (CHEMBL1120207)	Displacement of labeled IP10 from CXCR3
50031833	1	ChEMBL_635412 (CHEMBL1120212)	Binding affinity to human CB1 receptor
50031833	2	ChEMBL_635413 (CHEMBL1120213)	Binding affinity to human CB2 receptor
50035077	2	ChEMBL_105879 (CHEMBL717930)	Effect of compound on Metabotropic glutamate receptor 1 expressed in HEK 293 cells was determined by measuring IP production relative to glutamate
50035079	2	ChEMBL_147985 (CHEMBL753513)	Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein
50009554	6	ChEMBL_32441 (CHEMBL646102)	Displacement of [3H]- prazosin from human recombinant Alpha-1D adrenergic receptor
50031833	3	ChEMBL_635425 (CHEMBL1120225)	Inhibition of human ERG
50031834	1	ChEMBL_635447 (CHEMBL1120247)	Inhibition of cMet
50031834	2	ChEMBL_635448 (CHEMBL1120248)	Inhibition of PDGFRalpha
50031834	3	ChEMBL_635449 (CHEMBL1120249)	Inhibition of PDK1
50031834	4	ChEMBL_635451 (CHEMBL1120251)	Inhibition of PKBalpha
50031834	5	ChEMBL_635452 (CHEMBL1120252)	Inhibition of Ret
50031834	6	ChEMBL_635453 (CHEMBL1120253)	Inhibition of Syk
50031834	7	ChEMBL_635454 (CHEMBL1120254)	Inhibition of ZAP70
50031834	9	ChEMBL_635439 (CHEMBL1120239)	Inhibition of Her1
50031834	10	ChEMBL_635440 (CHEMBL1120240)	Inhibition of Her2
50031834	11	ChEMBL_635441 (CHEMBL1120241)	Inhibition of IGF1R
50031834	13	ChEMBL_635443 (CHEMBL1120243)	Inhibition of JAK1
50031834	14	ChEMBL_635444 (CHEMBL1120244)	Inhibition of JAK2
50031834	15	ChEMBL_635445 (CHEMBL1120245)	Inhibition of JAK3
50031834	16	ChEMBL_635446 (CHEMBL1120246)	Inhibition of cKIt
50031834	17	ChEMBL_635431 (CHEMBL1120231)	Inhibition of LCK in human Jurkat cells assessed as ZAP70 phosphorylation by FACS assay
50031834	18	ChEMBL_635431 (CHEMBL1120231)	Inhibition of LCK in human Jurkat cells assessed as ZAP70 phosphorylation by FACS assay
50031834	19	ChEMBL_635428 (CHEMBL1120228)	Inhibition of SRC
50031834	20	ChEMBL_635429 (CHEMBL1120229)	Inhibition of HCK
50031834	21	ChEMBL_635430 (CHEMBL1120230)	Inhibition of KDR
50031834	22	ChEMBL_635434 (CHEMBL1120234)	Inhibition of tie2
50031834	23	ChEMBL_635435 (CHEMBL1120235)	Inhibition of ABL
50031834	25	ChEMBL_635438 (CHEMBL1120238)	Inhibition of FGFR3K
50035081	4	ChEMBL_146512 (CHEMBL754621)	Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand
50031835	1	ChEMBL_635601 (CHEMBL1118836)	Displacement of [125I]Tyr-ovine CRF from rat CRF1 receptor
50031836	1	ChEMBL_635711 (CHEMBL1120109)	Inhibition of DPP4
50031836	2	ChEMBL_635712 (CHEMBL1120110)	Inhibition of DPP8
50031836	3	ChEMBL_635713 (CHEMBL1120111)	Inhibition of DPP9
50031837	1	ChEMBL_635726 (CHEMBL1120124)	Inhibition of DPP8 by chemical luminescent assay
50031837	2	ChEMBL_635727 (CHEMBL1120125)	Inhibition of DPP9 by chemical luminescent assay
50031837	3	ChEMBL_635725 (CHEMBL1120123)	Inhibition of DPP4 by chemical luminescent assay
50031838	1	ChEMBL_635744 (CHEMBL1120283)	Displacement of [3H]17-beta-estradiol from human recombinant full length ERalpha
50031838	2	ChEMBL_635745 (CHEMBL1120284)	Displacement of [3H]17-beta-estradiol from human recombinant full length ERbeta
50031838	3	ChEMBL_635743 (CHEMBL1120282)	Transactivation of human recombinant ERalpha expressed in african green monkey CV1 cells co-expressing ERE-Luc after 24 hrs by luciferase reporter gene assay
50031838	4	ChEMBL_635740 (CHEMBL1120279)	Transactivation of human recombinant ERbeta expressed in african green monkey CV1 cells co-expressing ERE-Luc after 24 hrs by luciferase reporter gene assay
50031839	1	ChEMBL_635755 (CHEMBL1120643)	Inhibition of mushroom tyrosinase preincubated for 5 mins before addition of L-DOPA measured after 10 mins
50031840	1	ChEMBL_635773 (CHEMBL1120661)	Inhibition of human recombinant liver glycogen phosphorylase by multienzyme-coupled reaction
50031840	2	ChEMBL_635776 (CHEMBL1120664)	Inhibition of human ERG
50031841	1	ChEMBL_635789 (CHEMBL1120677)	Inhibition of CRM1-mediated hemagglutininin-tagged HIV1 Rev protein nuclear export in human HeLa cells assessed as nucleus localization after 12 hrs by indirect fluorescent antibody technique
50031842	1	ChEMBL_633891 (CHEMBL1120457)	Inhibition of human SMO expressed in HEPM cells
50035081	5	ChEMBL_147147 (CHEMBL754179)	Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand
50031843	1	ChEMBL_633902 (CHEMBL1120468)	Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells
50031843	2	ChEMBL_633924 (CHEMBL1117605)	Inhibition of CYP2C9
50031843	3	ChEMBL_633900 (CHEMBL1120466)	Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells
50031843	4	ChEMBL_633901 (CHEMBL1120467)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed CHO cells
50031844	1	ChEMBL_633949 (CHEMBL1117630)	Displacement of [3H]DTBZ from VMAT2 in rat synaptic vesicle membranes after 30 mins by liquid scintillation counting
50031844	2	ChEMBL_633950 (CHEMBL1117631)	Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes
50031845	1	ChEMBL_634094 (CHEMBL1118878)	Competitive reversible inhibition of Trypanosoma brucei PFK expressed in Escherichia coli using fructose-6-phosphate by spectrophotometry analysis
50031845	2	ChEMBL_634076 (CHEMBL1118348)	Inhibition of rabbit muscle GAPDH
50031845	3	ChEMBL_634086 (CHEMBL1118358)	Inhibition of Trypanosoma brucei PFK expressed in Escherichia coli
50031845	4	ChEMBL_634088 (CHEMBL1118360)	Inhibition of rabbit muscle aldolase
50031846	1	ChEMBL_634107 (CHEMBL1118891)	Inhibition of MMP13
50035081	6	ChEMBL_145278 (CHEMBL751214)	Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand
50048491	1	ChEMBL_63921 (CHEMBL677328)	Compound was evaluated for inhibition of peptidoglycan synthesis in Enterococcus faecalis using [14C]lysine radioligand
50031846	3	ChEMBL_634105 (CHEMBL1118889)	Inhibition of MMP2
50010293	3	ChEMBL_138412 (CHEMBL744774)	Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1
50010293	4	ChEMBL_139763 (CHEMBL748899)	Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2
50031846	5	ChEMBL_634110 (CHEMBL1119117)	Inhibition of MMP1
50031846	6	ChEMBL_634111 (CHEMBL1119118)	Inhibition of MMP3
50031846	7	ChEMBL_634112 (CHEMBL1119119)	Inhibition of MMP7
50031846	8	ChEMBL_634113 (CHEMBL1119120)	Inhibition of MMP8
50035083	11	ChEMBL_145262 (CHEMBL751200)	Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S]GTP-gamma-S, assay
50035083	4	ChEMBL_148236 (CHEMBL753396)	Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor mu 1 by displacing [3H]-DAMGO
50035084	3	ChEMBL_143624 (CHEMBL751832)	Compound was evaluated for its binding affinity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep)
50010312	6	ChEMBL_210830 (CHEMBL811859)	Evaluated for its inhibitory potency against tryptase
50031847	1	ChEMBL_634117 (CHEMBL1119124)	Inhibition of MMP2
50031847	2	ChEMBL_634118 (CHEMBL1119125)	Inhibition of MMP13
50031847	4	ChEMBL_634119 (CHEMBL1119126)	Inhibition of MMP1
50031847	5	ChEMBL_634121 (CHEMBL1119128)	Inhibition of MMP3
50031847	6	ChEMBL_634122 (CHEMBL1119129)	Inhibition of MMP8
50031848	1	ChEMBL_634134 (CHEMBL1119141)	Displacement of [3H]rauwolscine from adrenergic alpha2A receptor
50031848	2	ChEMBL_634135 (CHEMBL1119142)	Displacement of [3H]rauwolscine from adrenergic Alpha-2C receptor
50031848	3	ChEMBL_634136 (CHEMBL1119143)	Displacement of [3H]paroxetine from 5HTT receptor
50031850	1	ChEMBL_636746 (CHEMBL1167035)	Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50031850	2	ChEMBL_636751 (CHEMBL1167040)	Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells
50031850	3	ChEMBL_636754 (CHEMBL1167043)	Agonist activity at human urotensin 2 expressed in CHO cells by FLIPR
50031850	4	ChEMBL_636753 (CHEMBL1167042)	Binding affinity to human urotensin 2 receptor
50031850	5	ChEMBL_636747 (CHEMBL1167036)	Antagonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization at 10000 nM by FLIPR
50031850	6	ChEMBL_636756 (CHEMBL1167045)	Binding affinity to monkey urotensin 2 receptor
50031850	7	ChEMBL_636757 (CHEMBL1167046)	Binding affinity to mouse urotensin 2 receptor
50031850	8	ChEMBL_636758 (CHEMBL1167047)	Binding affinity to cat urotensin 2 receptor
50031850	9	ChEMBL_636744 (CHEMBL1167033)	Antagonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50031850	10	ChEMBL_636760 (CHEMBL1167049)	Binding affinity to rat urotensin 2 receptor
50031850	11	ChEMBL_636748 (CHEMBL1167037)	Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization at 1000 nM by FLIPR
50031851	1	ChEMBL_636763 (CHEMBL1167052)	Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters transfer assay
50031852	1	ChEMBL_637699 (CHEMBL1166891)	Inhibition of bovine xanthine oxidase by spectrophotometry
50031853	1	ChEMBL_637718 (CHEMBL1167309)	Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50031853	2	ChEMBL_637717 (CHEMBL1167308)	Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50031853	3	ChEMBL_637716 (CHEMBL1167307)	Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50031853	4	ChEMBL_637715 (CHEMBL1167306)	Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50031853	5	ChEMBL_637719 (CHEMBL1167310)	Inhibition of human full length carbonic anhydrase 14 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50031854	1	ChEMBL_638000 (CHEMBL1166721)	Binding affinity to GAT3
50031854	2	ChEMBL_638001 (CHEMBL1166722)	Binding affinity to GAT2
50031854	3	ChEMBL_638002 (CHEMBL1166723)	Binding affinity to GAT1
50031854	4	ChEMBL_638004 (CHEMBL1166725)	Binding affinity to BGT-1
50031855	1	ChEMBL_638011 (CHEMBL1166732)	Inhibition of recombinant HDAC8
50031855	2	ChEMBL_638014 (CHEMBL1166735)	Inhibition of HDAC10
50031855	3	ChEMBL_638009 (CHEMBL1166730)	Inhibition of recombinant HDAC3
50031855	4	ChEMBL_638007 (CHEMBL1166728)	Inhibition of recombinant HDAC1
50031855	5	ChEMBL_638008 (CHEMBL1166729)	Inhibition of recombinant HDAC2
50031855	6	ChEMBL_638010 (CHEMBL1166731)	Inhibition of recombinant HDAC6
50048492	1	ChEMBL_66406 (CHEMBL677100)	Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue
50035090	2	ChEMBL_72303 (CHEMBL688461)	The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase for Escherichia coli with respect to ATP.
50035093	7	ChEMBL_2406 (CHEMBL617684)	Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.
50035093	4	ChEMBL_33430 (CHEMBL648826)	Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor
50035093	3	ChEMBL_1456 (CHEMBL616579)	Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.
50035093	6	ChEMBL_33418 (CHEMBL648814)	The compound was evaluated for the ability to displace [3H]prazosin binding to Alpha-1 adrenergic receptor
50035093	5	ChEMBL_1939 (CHEMBL617546)	The compound was evaluated for the ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor ( striata of male wistar rats)
50035094	2	ChEMBL_27827 (CHEMBL636716)	Binding affinity towards Acetylcholinesterase from fetal bovine serum
50048493	1	ChEMBL_60529 (CHEMBL674940)	Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells
50048493	2	ChEMBL_62585 (CHEMBL673113)	Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells
50048494	5	ChEMBL_156480 (CHEMBL761557)	Inhibitory potency against guinea pig ventricular phosphodiesterase 3
50048494	6	ChEMBL_156904 (CHEMBL767094)	Inhibitory potency against guinea pig ventricular phosphodiesterase 4
50048494	1	ChEBML_156904	Inhibitory potency against guinea pig ventricular phosphodiesterase 4
50048494	4	ChEMBL_192993 (CHEMBL803575)	Displacement of [3H]rolipram from high affinity binding site (HARBS) in rat brain membrane.
50048494	2	ChEBML_156480	Inhibitory potency against guinea pig ventricular phosphodiesterase 3
50031859	1	ChEMBL_638728 (CHEMBL1169089)	Binding affinity to human SIGLEC2 by saturation transfer difference-titration assay
50031860	1	ChEMBL_638841 (CHEMBL1166965)	Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using ATP as substrate
50031860	2	ChEMBL_638842 (CHEMBL1166966)	Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using KVEKIGEGTYGVVYK as substrate
50031860	3	ChEMBL_638845 (CHEMBL1166969)	Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using ATP as substrate
50031860	4	ChEMBL_638847 (CHEMBL1166971)	Mixed-type inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using ATP as substrate
50031860	5	ChEMBL_638846 (CHEMBL1166970)	Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using abtide peptide as substrate
50031860	6	ChEMBL_638848 (CHEMBL1166972)	Mixed-type inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid scintillation counting using abtide peptide as substrate
50031861	1	ChEMBL_638890 (CHEMBL1167598)	Displacement of [3H](+)-pentazocine from sigma1 opioid receptor from guinea pig brain cortex after 150 mins by scintillation counting
50010458	3	ChEMBL_34463 (CHEMBL651995)	Tested for binding affinity of the compound against recombinant human Alpha-1B adrenergic receptor using [125I]-HEAT in competition binding assay
50010458	2	ChEMBL_33745 (CHEMBL647663)	Tested for binding affinity of the compound against recombinant human Alpha-1A adrenergic receptor using [125I]-HEAT in competition binding assay
50010458	1	ChEMBL_32456 (CHEMBL643572)	Tested for binding affinity of the compound against recombinant human Alpha-1D adrenergic receptor using [125I]-HEAT in competition binding assay
50041035	10	ChEMBL_146342 (CHEMBL753791)	Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay
50031863	1	ChEMBL_639017 (CHEMBL1166155)	Inhibition of mashroom tyrosinase
50041035	9	ChEMBL_146343 (CHEMBL753792)	Inhibitory concentration against Opioid receptor delta 1 in mouse vas deferens using competition binding assay
50041035	4	ChEMBL_145456 (CHEMBL751089)	Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum
50041035	5	ChEMBL_145455 (CHEMBL859329)	Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum
50041035	7	ChEMBL_145305 (CHEMBL752840)	Inhibition of guinea pig ileum Opioid receptor mu 1
50041035	8	ChEMBL_146482 (CHEMBL758001)	Negative logarithm of the molar concentration of delta receptor was determined in mouse vas deferens
50041035	6	ChEMBL_145449 (CHEMBL752038)	Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum
50035100	4	ChEMBL_143213 (CHEMBL752229)	Time dependent inhibition against neuronal Nitric Oxide Synthase(nNOS)
50010480	2	ChEMBL_100226 (CHEMBL710955)	Inhibition of ERK-phosphorylation by Raf-MEK-ERK in coupled ELISA
50010480	3	ChEMBL_100227 (CHEMBL710956)	Inhibition of ERK phosphorylation in coupled Raf-MEK-ERK ELISA (Weakly active)
50031865	1	ChEMBL_639141 (CHEMBL1167402)	Inhibition of HDAC1
50048495	1	ChEMBL_208609 (CHEMBL812286)	The compound was tested for its inhibitory activity against topoisomerase II
50009591	4	ChEMBL_34917 (CHEMBL648453)	Inhibition of Angiotensin I converting enzyme
50035106	4	ChEMBL_210688 (CHEMBL817286)	The compound was tested for inhibition of [3H]-5-hydroxy tryptamine uptake in HEK cells by expressing cDNA for human tryptamine transporter
50035106	5	ChEMBL_61514 (CHEMBL671434)	Inhibition of [3H]dopamine uptake in HEK cells expressing human Dopamine transporter
50035106	6	ChEMBL_142803 (CHEMBL751376)	The compound was tested for inhibition of [3H]norepinephrine uptake in HEK cells by expressing cDNA for human norepinephrine transporter
50009608	2	ChEMBL_92772 (CHEMBL700072)	Inhibition of L-type [Ca2+] channel (VSCC) in rat A7r5 vascular smooth muscle cells
50048496	1	ChEMBL_66407 (CHEMBL677101)	Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue
50048496	2	ChEMBL_125044 (CHEMBL731554)	Uterotrophic activity in immature mouse
50031868	1	ChEMBL_639165 (CHEMBL1167426)	Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay
50031868	2	ChEMBL_639166 (CHEMBL1167427)	Inhibition of human DHFR by spectrophotometric assay
50031868	3	ChEMBL_639169 (CHEMBL1167430)	Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burke plot
50031869	1	ChEMBL_639178 (CHEMBL1167874)	Displacement of [125I]metastin(40-54) from human GPR54 receptor expressed in CHO cells after 60 mins by scintillation counting
50031869	2	ChEMBL_639179 (CHEMBL1167875)	Antagonist activity at human GPR54 receptor expressed in CHO cells assessed as inhibition of metastin(40-54)-induced intracellular calcium mobilization by FLIPR assay
50031870	1	ChEMBL_639185 (CHEMBL1168038)	Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis
50031870	2	ChEMBL_639187 (CHEMBL1168040)	Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis
50031870	3	ChEMBL_639182 (CHEMBL1168035)	Inhibition of rice alpha-glucosidase assessed as D-glucose release at pH 5 after 10 to 30 mins
50031870	4	ChEMBL_639188 (CHEMBL1168041)	Inhibition of human lysosome alpha-galactosidase assessed as p-nitrophenol release by spectrometric analysis
50031870	5	ChEMBL_639190 (CHEMBL1168043)	Inhibition of rat intestinal lactase assessed as p-nitrophenol release by spectrometric analysis
50031870	6	ChEMBL_639193 (CHEMBL1168046)	Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol release at pH 5.5 by spectrometric analysis
50031870	7	ChEMBL_639207 (CHEMBL1168060)	Competitive inhibition of human lysosome alpha-galactosidase by Lineweaver-Burke plot analysis
50009684	4	ChEMBL_162547 (CHEMBL768534)	Inhibitory effect on protein kinase C using histone II-As as substrate
50009684	3	ChEMBL_208619 (CHEMBL814722)	Tested for inhibitory effect on topoisomerase-2 mediated DNA cleavage using super coiled pBR322 plasmid DNA
50031872	1	ChEMBL_639475 (CHEMBL1169102)	Binding affinity to human SERT
50031872	2	ChEMBL_639476 (CHEMBL1169103)	Binding affinity to human NET
50031872	3	ChEMBL_639477 (CHEMBL1169104)	Binding affinity to human DAT
50031873	1	ChEMBL_639501 (CHEMBL1169264)	Inhibition of HER2
50031874	1	ChEMBL_636318 (CHEMBL1169041)	Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay
50031875	1	ChEMBL_636328 (CHEMBL1169051)	Inhibition of PTP1B assessed as p-nitrophenolate ion production pretreated for 10 mins measured after 30 mins
50031876	1	ChEMBL_636347 (CHEMBL1169070)	Displacement of [3H]rosiglitazone from human PPARgamma ligand binding domain expressed in Escherichia coli BL21 after 12 hrs by liquid scintillation counting
50031877	1	ChEMBL_637777 (CHEMBL1167959)	Inhibition of electric eel AChE by Ellman's assay
50031877	2	ChEMBL_637778 (CHEMBL1167960)	Inhibition of equine serum BuChE by Ellman's method
50031879	1	ChEMBL_638039 (CHEMBL1166942)	Inhibition of PTP1B
50031879	2	ChEMBL_638040 (CHEMBL1166943)	Inhibition of PTP1B by pNPP hydrolase assay
50031879	3	ChEMBL_638041 (CHEMBL1166944)	Inhibition of TCPTP by pNPP hydrolase assay
50031880	1	ChEMBL_639049 (CHEMBL1166187)	Inhibition of FLT3 by HotSpot assay
50009692	11	ChEMBL_34599 (CHEMBL645558)	Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain
50009692	13	ChEMBL_34378 (CHEMBL648470)	Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex
50009692	10	ChEMBL_34600 (CHEMBL645559)	Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-prazosin binding in rat brain; Not Active means Ki >1000 nM
50031882	1	ChEMBL_639063 (CHEMBL1166316)	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells
50031882	2	ChEMBL_639070 (CHEMBL1166746)	Inhibition of p38alpha
50031882	3	ChEMBL_639071 (CHEMBL1166747)	Inhibition of PKCmu
50031882	4	ChEMBL_639072 (CHEMBL1166748)	Inhibition of VEGFR1
50031882	5	ChEMBL_639073 (CHEMBL1166749)	Inhibition of VEGFR2
50031882	7	ChEMBL_639075 (CHEMBL1166751)	Inhibition of PDGFRalpha
50031883	2	ChEMBL_639392 (CHEMBL1167772)	Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay
50031883	3	ChEMBL_639388 (CHEMBL1167768)	Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay
50009692	12	ChEMBL_34379 (CHEMBL648471)	Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex; Not Active means Ki >1000 nM
50031884	1	ChEMBL_639395 (CHEMBL1167927)	Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH by spectrometry
50031884	2	ChEMBL_639399 (CHEMBL1167931)	Induction of glucokinase-mediated 2-deoxy-D-[3H]glucose uptake in Sprague-Dawley rat hepatocytes after 4 hrs by liquid scintillation countingl
50035115	5	ChEMBL_146695 (CHEMBL753772)	Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand
50035115	6	ChEMBL_145386 (CHEMBL750076)	Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand
50009702	8	ChEMBL_1932 (CHEMBL616986)	Inhibitory concentration against 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]-ketanserin
50009702	9	ChEMBL_2334 (CHEMBL617541)	Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]ketanserin
50009702	10	ChEMBL_1933 (CHEMBL616987)	Inhibitory concentration against binding of 5-hydroxytryptamine 2 receptor from striata of male Wistar rats by displacement of [3H]-ketanserin
50031887	1	ChEMBL_639438 (CHEMBL1168411)	Displacement of fluorescently-tagged BH3 peptide from Bcl-XL by fluorimetric assay
50042162	6	ChEMBL_91954 (CHEMBL704117)	In vitro inhibition of Janus kinase 3.
50042162	4	ChEMBL_221497 (CHEMBL841384)	Inhibition of p56 Lck tyrosine kinase
50042162	5	ChEMBL_51159 (CHEMBL666107)	Inhibition of Cyclin-dependent kinase 4
50009680	3	ChEMBL_34492 (CHEMBL647204)	Inhibition of 1 nM [3H]RX-821002 binding to rat whole brain membrane Alpha-2 adrenergic receptors
50048497	10	ChEMBL_156918 (CHEMBL763952)	Percent inhibition of human Phosphodiesterase 4 at 10e-7 M
50048497	6	ChEMBL_156919 (CHEMBL763953)	Percent inhibition of human neutrophil phosphodiesterase 4 at 10e-7 M
50031889	1	ChEMBL_636952 (CHEMBL1168340)	Inhibition of IKK-beta by TR-FRET assay
50031890	1	ChEMBL_636956 (CHEMBL1168344)	Inhibition of GSK3-beta assessed as inhibition of [33Pi] incorporation after 80 mins by microplate scintillation counting
50048499	3	ChEMBL_211689 (CHEMBL819860)	Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.
50048499	4	ChEMBL_211688 (CHEMBL819859)	Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.
50048500	1	ChEMBL_149053 (CHEMBL857864)	Inhibition of binding of [3H]oxytocin with human oxytocin receptor
50031892	1	ChEMBL_637405 (CHEMBL1166338)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig liver microsomes
50031892	2	ChEMBL_637406 (CHEMBL1166339)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain microsomes
50031892	3	ChEMBL_637407 (CHEMBL1166340)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor expressed in Saccharomyces cerevisiae WA0
50031892	4	ChEMBL_637393 (CHEMBL1166326)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig liver homogenates after 1 hr by liquid scintillation counting
50031893	1	ChEMBL_637422 (CHEMBL1166355)	Inhibition of HMG-CoA reductase by spectrophotometry
50031893	2	ChEMBL_637423 (CHEMBL1166356)	Competitive inhibition of HMG-CoA reductase by Dixon plot analysis
50031894	1	ChEMBL_637433 (CHEMBL1166366)	Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.1 M substrate FaGLa
50031894	2	ChEMBL_637434 (CHEMBL1166367)	Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa
50031896	1	ChEMBL_637913 (CHEMBL1169304)	Inhibition of human 11beta-HSD1 by competitive binding assay
50048501	1	ChEMBL_61147 (CHEMBL670684)	In vitro binding affinity for Dopamine receptor D2
50048501	2	ChEMBL_60989 (CHEMBL671607)	In vitro binding affinity for Dopamine receptor D4
50048501	3	ChEMBL_2225 (CHEMBL617170)	In vitro binding affinity for 5-hydroxytryptamine 2 receptor
50048501	4	ChEMBL_2228 (CHEMBL617173)	In vitro binding affinity for 5-hydroxytryptamine 2 receptor
50010903	16	ChEMBL_39274 (CHEMBL650536)	Inhibition of erbB2 overexpressing BT 474 cell proliferation
50035127	2	ChEMBL_39502 (CHEMBL656496)	Ability to displace [125 I]-MIP-1alpha from C-C chemokine receptor type 5 expressed on CHO cell membranes
50048502	1	ChEMBL_75869 (CHEMBL687256)	Inhibitory activity against Escherichia coli DNA gyrase
50048503	1	ChEMBL_92581 (CHEMBL700426)	Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.
50048503	2	ChEMBL_92719 (CHEMBL704955)	Inhibition of KinA/Sp0F system two component system (TCS) from Bacillus subtilis
50048503	3	ChEMBL_92580 (CHEMBL700425)	Inhibition of KinA/Sp0F two component system (TCS) from Bacillus subtilis
50035129	7	ChEMBL_106059 (CHEMBL718224)	Agonist activity in rat at mGlu2 receptor expressed in HEK293 cells
50035129	8	ChEMBL_104622 (CHEMBL715570)	Agonist activity in rat at Metabotropic glutamate receptor 8 expressed in HEK293 cells
50035129	9	ChEMBL_105714 (CHEMBL719081)	Agonist activity in rat at Metabotropic glutamate receptor 1 expressed in HEK293 cells
50035129	4	ChEMBL_106058 (CHEMBL884509)	Agonist activity in rat at Metabotropic glutamate receptor 2 expressed in HEK293 cells
50035130	4	ChEMBL_152560 (CHEMBL759583)	Inhibitory constant against bovine phenylethanolamine N-methyl-transferase
50048505	3	ChEMBL_141169 (CHEMBL750519)	Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)
50035139	6	ChEMBL_67520 (CHEMBL682303)	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha
50011078	6	ChEMBL_34572 (CHEMBL649336)	Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.
50011078	5	ChEMBL_34441 (CHEMBL647021)	Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.
50048506	1	ChEMBL_2765 (CHEMBL617762)	Binding affinity against 5-hydroxytryptamine 2C receptor
50048506	2	ChEMBL_2890 (CHEMBL617608)	Binding affinity against 5-hydroxytryptamine 2B receptor
50035143	10	ChEMBL_106209 (CHEMBL713198)	Inhibitory concentration required for antagonistic activity at Metabotropic glutamate receptor 2
50035143	8	ChEMBL_106200 (CHEMBL713190)	Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 2; Partial agonist
50035143	5	ChEMBL_106197 (CHEMBL714614)	Effective concentration required for agonistic activity at Metabotropic glutamate receptor 2
50035143	9	ChEMBL_106210 (CHEMBL713199)	Inhibitory concentration required for antagonistic activity at Metabotropic glutamate receptor 2; Maximum inhibition reached only 50%
50031898	1	ChEMBL_638385 (CHEMBL1167212)	Inhibition of human Eg5 expressed in Escherichia coli assessed as microtubule-activated ATPase activity by spectrophotometry
50031899	1	ChEMBL_638608 (CHEMBL1167726)	Inhibition of Bacillus subtilis transferase MraY after 30 mins
50031900	1	ChEMBL_638634 (CHEMBL1168165)	Inhibition of esterase activity of human carbonic anhydrase 1 by Lineweaver-Burke plot analysis
50031900	2	ChEMBL_638633 (CHEMBL1167751)	Inhibition of esterase activity of human carbonic anhydrase 2 by Lineweaver-Burke plot analysis
50048507	1	ChEMBL_162542 (CHEMBL767446)	Inhibition of protein kinase C
50041037	9	ChEMBL_2420 (CHEMBL617697)	Binding affinity of compound towards serotonin 5-hydroxytryptamine 2A receptor was determined
50041037	6	ChEMBL_33675 (CHEMBL646816)	Binding affinity of compound towards Alpha-2C adrenergic receptor was determined
50041037	2	ChEMBL_37673 (CHEMBL856949)	Binding affinity of compound towards Beta-1 adrenergic receptor was determined
50041037	5	ChEMBL_32303 (CHEMBL859453)	The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor
50041037	10	ChEMBL_38623 (CHEMBL650889)	Binding affinity of compound towards Beta-2 adrenergic receptor was determined
50041037	8	ChEMBL_60983 (CHEMBL671601)	Binding affinity of compound towards Dopamine receptor D4 was determined
50041037	12	ChEMBL_3766 (CHEMBL620765)	Binding affinity of compound towards serotonin 5-hydroxytryptamine 7 receptor was determined
50041037	3	ChEMBL_61942 (CHEMBL858397)	Binding affinity of compound towards Dopamine receptor D2S was determined
50041037	7	ChEMBL_2853 (CHEMBL617494)	Binding affinity of compound towards serotonin 5-hydroxytryptamine 2C receptor was determined
50041037	4	ChEMBL_34182 (CHEMBL648421)	Binding affinity of compound towards Binding affinity towards Alpha-1A adrenergic receptor was determined
50041037	11	ChEMBL_1509 (CHEMBL616341)	Binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined
50041037	13	ChEMBL_3658 (CHEMBL620794)	Binding affinity of compound towards serotonin 5-hydroxytryptamine 6 receptor was determined
50035147	16	ChEMBL_62501 (CHEMBL677558)	Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.
50035147	11	ChEMBL_142963 (CHEMBL750815)	Inhibitory concentration binding to Norepinephrine transporter using 0.2 nM paroxetine
50031902	1	ChEMBL_638417 (CHEMBL1167863)	Inhibition of mushroom tyrosinase
50031903	1	ChEMBL_638420 (CHEMBL1167866)	Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methyl-D-glucopyranoside uptake after 1.5 hrs by liquid scintillation counting
50031903	2	ChEMBL_638423 (CHEMBL1167869)	Inhibition of human SGLT1 expressed in african green monkey COS7 cells assessed as inhibition of [14C]alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50048508	1	ChEMBL_153519 (CHEMBL764472)	Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus
50048508	2	ChEMBL_153204 (CHEMBL763706)	Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus
50048508	3	ChEMBL_153656 (CHEMBL762721)	Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus
50011168	6	ChEMBL_33429 (CHEMBL648825)	In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand
50011169	18	ChEMBL_2925 (CHEMBL617640)	Binding affinity for 5-hydroxytryptamine 2B receptor was determined
50011169	12	ChEMBL_41911 (CHEMBL655702)	Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells
50011169	8	ChEMBL_2099 (CHEMBL617135)	Binding affinity for 5-hydroxytryptamine 1F receptor was determined
50011169	16	ChEMBL_3784 (CHEMBL619860)	Binding affinity relative to indolopiperidine (compound 1) for 5-hydroxytryptamine 7 receptor was determined
50011169	13	ChEMBL_62926 (CHEMBL673832)	Binding affinity for Dopamine receptor D3 was determined
50011169	11	ChEMBL_3051 (CHEMBL620669)	Binding affinity for 5-hydroxytryptamine 2C receptor was determined
50011169	7	ChEMBL_2463 (CHEMBL617351)	Binding affinity for 5-hydroxytryptamine 2A receptor was determined
50011169	15	ChEMBL_62927 (CHEMBL858399)	Binding affinity relative to indolopiperidine (compound 1) for Dopamine receptor D3 was determined
50011169	4	ChEMBL_2070 (CHEMBL616714)	Binding affinity for 5-hydroxytryptamine 1E receptor was determined
50011169	5	ChEMBL_3670 (CHEMBL620805)	Binding affinity for 5-hydroxytryptamine 6 receptor was determined
50011169	6	ChEMBL_3783 (CHEMBL619859)	Binding affinity for 5-hydroxytryptamine 7 receptor was determined
50011169	14	ChEMBL_1557 (CHEMBL616378)	Binding affinity for 5-hydroxytryptamine 1A receptor was determined
50011169	19	ChEMBL_1834 (CHEMBL616805)	Binding affinity for 5-hydroxytryptamine 1B receptor was determined
50011169	9	ChEMBL_61314 (CHEMBL670089)	Binding affinity relative to indolopiperidine (compound 1) for Dopamine receptor D2 was determined
50011169	20	ChEMBL_41908 (CHEMBL655699)	Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells
50011169	17	ChEMBL_61142 (CHEMBL670679)	Binding affinity for Dopamine receptor D2 was determined
50011207	3	ChEMBL_28836 (CHEMBL649102)	Displacement of [3H]R-PIA binding to Adenosine A1 receptor in rat brain membrane
50035150	5	ChEMBL_142946 (CHEMBL750798)	Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissue
50035150	6	ChEMBL_61842 (CHEMBL670181)	Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue
50035151	2	ChEMBL_205216 (CHEMBL816490)	Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line)
50035153	29	ChEMBL_39373 (CHEMBL653248)	Inhibitory activity towards Beta-galactosidase from Aspergillus niger
50035153	24	ChEMBL_34392 (CHEMBL649262)	Inhibitory activity towards Alpha-glucosidase from Rhizopus mold (amyloglucosidase)
50035153	11	ChEMBL_37300 (CHEMBL655212)	Inhibitory activity towards Beta-galactosidase from Jack bean
50035153	22	ChEMBL_34265 (CHEMBL647609)	Inhibitory activity towards Alpha-glucosidase from Aspergillus niger (amyloglucosidase)
50035153	25	ChEMBL_37431 (CHEMBL650047)	Inhibitory activity towards Beta-Glucosidase from Almond
50011261	7	ChEMBL_216042 (CHEMBL819749)	Compound was tested for inhibition of Sunflower beta-trypsin
50035155	6	ChEMBL_58450 (CHEMBL671647)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells; high binding affinity
50035155	17	ChEMBL_61629 (CHEMBL673085)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D2L expressed in CHO cells
50035155	14	ChEMBL_62425 (CHEMBL674829)	In vitro for its ability to displace [3H]- spiperoneI from cloned human Dopamine receptor D3 expressed in CHO cells; Low binding affinity
50035155	9	ChEMBL_58449 (CHEMBL671646)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long receptor expressed in CHO cells; Low binding affinity
50035155	10	ChEMBL_61940 (CHEMBL675128)	In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells
50035155	11	ChEMBL_61004 (CHEMBL675195)	Agonist effect on the Dopamine D4.2 receptor was determined by evaluating effective concentration causing stimulation of mitogenesis
50011267	5	ChEMBL_72872 (CHEMBL684123)	Binding affinity towards human glucagon receptor in absence of Mg2+ expressed as IC50
50048509	1	ChEMBL_210563 (CHEMBL816515)	Inhibition of thioredoxin-1/thioredoxin reductase system
50048509	2	ChEMBL_210422 (CHEMBL811694)	Inhibition of thioredoxin reductase
50035159	3	ChEMBL_218970 (CHEMBL821898)	Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of human HeLa cells
50035159	2	ChEMBL_218971 (CHEMBL821899)	Inhibitory activity against histone deacetylase (HDAC) derived from partially purified extracts of mammalian HeLa cells
50035160	3	ChEMBL_79064 (CHEMBL857631)	Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligand
50035160	4	ChEMBL_79057 (CHEMBL692692)	Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioligand
50048510	1	ChEMBL_159266 (CHEMBL764252)	Ability to inhibit Prostaglandin G/H synthase 1 by using freshly harvested mouse peritoneal macrophages
50048510	2	ChEMBL_157855 (CHEMBL764744)	Ability to inhibit Prostaglandin G/H synthase 2 by using freshly harvested mouse peritoneal macrophages
50035170	9	ChEMBL_69915 (CHEMBL682265)	Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50011332	3	ChEMBL_106603 (CHEMBL717440)	Inhibition of Matrix metalloprotease-13
50035171	6	ChEMBL_106599 (CHEMBL717436)	Inhibitory activity against human Matrix metalloprotease-13
50035176	3	ChEMBL_124175 (CHEMBL732091)	Inhibition of Escherichia coli derived Mitogen-activated protein kinase p38
50035176	2	ChEMBL_124335 (CHEMBL732891)	Inhibition of Mitogen-activated protein kinase p38
50035177	2	ChEMBL_197273 (CHEMBL804260)	Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 7 in the article)
50035177	1	ChEMBL_197266 (CHEMBL804182)	Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 12 in the article)
50035177	12	ChEMBL_197271 (CHEMBL804186)	Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 12 in the article)
50035177	5	ChEMBL_197267 (CHEMBL804183)	Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 6 in the article)
50048511	1	ChEMBL_62458 (CHEMBL679230)	Binding affinity to human cloned Dopamine receptor D3 in CHO cells using [125I]- iodosulpride as radioligand
50048511	2	ChEMBL_1748 (CHEMBL616855)	Binding affinity to human cloned 5-hydroxytryptamine 1D receptor in CHO cells using [3H]5-HT as radioligand
50048511	3	ChEMBL_1024 (CHEMBL616226)	Binding affinity to human cloned 5-hydroxytryptamine 1A receptor in HEK 293 cells using [3H]-8-OH- DPAT as radioligand
50048511	4	ChEMBL_1374 (CHEMBL616447)	Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-HT as radioligand
50048511	5	ChEMBL_2748 (CHEMBL617509)	Binding affinity to human cloned 5-hydroxytryptamine 2C receptor in HEK 293 cells using [3H]- mesulergine as radioligand
50048511	6	ChEMBL_3633 (CHEMBL619951)	Binding affinity against human 5-hydroxytryptamine 6 receptor
50048511	7	ChEMBL_60392 (CHEMBL672228)	Binding affinity to human cloned Dopamine receptor D2 in CHO cells using [125I]- iodosulpride as radioligand
50048511	8	ChEMBL_2520 (CHEMBL617253)	Binding affinity to human cloned 5-hydroxytryptamine 2A receptor in HEK 293 cells using [3H]- ketanserin as radioligand
50048511	9	ChEMBL_3634 (CHEMBL619952)	Binding affinity to human cloned 5-HT6 receptor in HeLa cells using [3H]- LSD as radioligand
50048511	10	ChEMBL_2880 (CHEMBL617783)	Binding affinity to human cloned 5-HT2B receptor in HEK 293 cells using [3H]- -5-HT as radioligand
50048511	11	ChEMBL_3708 (CHEMBL618160)	Binding affinity to human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]-5-CT as radioligand
50048511	12	ChEMBL_3635 (CHEMBL619953)	Binding affinity to human cloned 5-hydroxytryptamine 6 receptor in HeLa cells using [3H]- LSD as radioligand
50042168	5	ChEMBL_30096 (CHEMBL640032)	Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.
50042168	6	ChEMBL_30099 (CHEMBL858092)	Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.
50042168	4	ChEMBL_30101 (CHEMBL642028)	Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.
50011363	2	ChEMBL_154686 (CHEMBL763358)	Inhibition of Plasmodium falciparum cyclin dependent protein kinase (Pfmrk)
50035181	11	ChEMBL_106308 (CHEMBL714563)	In vitro inhibition of Matrix metalloprotease-1.
50035181	12	ChEMBL_106763 (CHEMBL717134)	In vitro inhibition of Matrix metalloprotease-13.
50035185	2	ChEMBL_62015 (CHEMBL671636)	Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat striatal synaptic membranes
50011482	5	ChEMBL_38269 (CHEMBL646912)	In vitro agonistic activity against cAMP accumulation level in CHO cells expressing human beta-AR receptor
50048512	1	ChEMBL_192810 (CHEMBL798530)	Binding affinity to rolipram binding site in isolated rat brain by rolipram binding assay
50048512	2	ChEMBL_157223 (CHEMBL769547)	Concentration for inhibitory activity against phosphodiesterase 4 from rat liver
50048512	3	ChEMBL_157224 (CHEMBL769548)	Inhibition of phosphodiesterase 4 from rat liver at 0.3 uM (not determined)
50035196	3	ChEMBL_200639 (CHEMBL802973)	Inhibitory activity against influenza A sialidase (Aichi)
50035196	4	ChEMBL_200653 (CHEMBL802985)	Inhibitory activity against influenza B sialidase (Victoria)
50041041	2	ChEMBL_141738 (CHEMBL749250)	Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart
50048513	1	ChEMBL_3053 (CHEMBL620671)	Evaluated for the binding affinity to 5-hydroxytryptamine 2C receptor
50048513	2	ChEMBL_62455 (CHEMBL679227)	Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
50048513	3	ChEMBL_32311 (CHEMBL646257)	Evaluated for the binding affinity to alpha 1B receptor
50048513	4	ChEMBL_60389 (CHEMBL672225)	Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells
50048513	5	ChEMBL_1985 (CHEMBL857980)	Evaluated for the binding affinity against 5-hydroxytryptamine 1D receptor
50048513	6	ChEMBL_2465 (CHEMBL617353)	Evaluated for the binding affinity towards 5-hydroxytryptamine 2A receptor
50048513	7	ChEMBL_1558 (CHEMBL616379)	Evaluated for the binding affinity to 5-hydroxytryptamine 1A receptor
50048513	8	ChEMBL_1835 (CHEMBL616806)	Evaluated for the binding affinity to 5-hydroxytryptamine 1B receptor
50048513	9	ChEMBL_2926 (CHEMBL617641)	Evaluated for the binding affinity to 5-HT 2B receptor
50048513	10	ChEMBL_3785 (CHEMBL619861)	Evaluated for the binding affinity to 5-hydroxytryptamine 7 receptor
50048513	11	ChEMBL_3671 (CHEMBL620806)	Evaluated for the binding affinity towards 5-hydroxytryptamine 6 receptor
50048514	1	ChEMBL_221159 (CHEMBL842194)	Inhibitory activity against p38 kinase (40 ng/well) was determined in mouse
50048514	2	ChEMBL_124321 (CHEMBL732629)	Inhibition of murine Mitogen-activated protein kinase p38
50035197	4	ChEMBL_205410 (CHEMBL812233)	In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay
50035197	6	ChEMBL_208657 (CHEMBL813317)	In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay
50035197	7	ChEMBL_40436 (CHEMBL883337)	In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay
50035197	8	ChEMBL_208638 (CHEMBL816608)	In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay
50010700	6	ChEMBL_49166 (CHEMBL663265)	Binding affinity against human coagulation factor Xa
50048515	1	ChEMBL_147795 (CHEMBL757345)	Binding affinity to Orexin receptor type 1 was determined using laser scanning cytometry
50035198	13	ChEMBL_200519 (CHEMBL801202)	Inhibitory constant on human somatostatin receptor 4
50035198	14	ChEMBL_200667 (CHEMBL806159)	Inhibitory constant on human Somatostatin receptor type 1
50035198	15	ChEMBL_200531 (CHEMBL806601)	Inhibitory constant on human somatostatin receptor 5
50035198	16	ChEMBL_200369 (CHEMBL805717)	Inhibitory constant on human Somatostatin receptor type 2
50035198	12	ChEMBL_200523 (CHEMBL801206)	Effective concentration on human somatostatin receptor 5
50035198	17	ChEMBL_200508 (CHEMBL803852)	Inhibitory constant on human somatostatin receptor type 3
50035200	3	ChEMBL_61824 (CHEMBL672588)	Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen
50035202	23	ChEMBL_70425 (CHEMBL681282)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase
50035202	35	ChEMBL_70427 (CHEMBL681284)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase
50035202	30	ChEMBL_154438 (CHEMBL756495)	Inhibition of K-Ras farnesylation in PSN-1 cells without GGT1
50031929	1	ChEMBL_640011 (CHEMBL1174225)	Inhibition of human EGFR autophosphorylation expressed in Sf9 cells DELFIA assay
50035202	27	ChEMBL_154436 (CHEMBL756493)	Inhibition of HDJ-2 farnesylation in PSN-1 cells at without GGT1
50031930	3	ChEMBL_640040 (CHEMBL1174254)	Inhibition of N-terminal 6His-tagged human aldose reductase expressed in Escherichia coli BL21(DE3) mediated NADPH linked pyridine-3-aldehyde reduction
50031930	4	ChEMBL_640041 (CHEMBL1174255)	Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction
50035202	33	ChEMBL_71826 (CHEMBL683657)	Inhibitory activity against human Geranylgeranyl transferase type I
50035202	20	ChEMBL_70423 (CHEMBL682258)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase
50035202	32	ChEMBL_219152 (CHEMBL824152)	Inhibitory activity against human Geranylgeranyl transferase type I
50035202	28	ChEMBL_70421 (CHEMBL682256)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase
50031931	1	ChEMBL_640076 (CHEMBL1174346)	Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay
50031932	1	ChEMBL_640841 (CHEMBL1173909)	Inhibition of factor 11a
50031932	2	ChEMBL_640843 (CHEMBL1173911)	Inhibition of plasmin
50031932	3	ChEMBL_640845 (CHEMBL1173913)	Inhibition of human tissue plasminogen activator
50031932	4	ChEMBL_640846 (CHEMBL1173914)	Inhibition of thrombin
50031932	5	ChEMBL_640847 (CHEMBL1173915)	Inhibition of human LMW urokinase
50031933	1	ChEMBL_640856 (CHEMBL1173924)	Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA
50031933	2	ChEMBL_640857 (CHEMBL1173925)	Inhibition of human recombinant histidine-tagged ABL (230-517) expressed in Sf9 cells by ELISA
50031934	1	ChEMBL_641055 (CHEMBL1174296)	Inhibition of human neutrophil elastase after 30 mins by ELISA
50031934	2	ChEMBL_641056 (CHEMBL1174297)	Inhibition of human leukocyte elastase after 2 mins by ELISA
50031935	1	ChEMBL_641177 (CHEMBL1174684)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50035202	21	ChEMBL_70426 (CHEMBL681283)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase 5 nM ATP
50035202	25	ChEMBL_154435 (CHEMBL756492)	Inhibition of HDJ-2 farnesylation in PSN-1 cells
50035202	29	ChEMBL_154437 (CHEMBL756494)	Inhibition of HDJ-2 farnesylation in PSN-1 cells with 100 nM GGT1
50035202	31	ChEMBL_154439 (CHEMBL756496)	Inhibition of K-Ras farnesylation in PSN-1 cells with 100 nM GGT1
50031936	1	ChEMBL_641372 (CHEMBL1175064)	Inhibition of Plasmodium falciparum falcipain-2 after 10 to 15 min
50031936	2	ChEMBL_641374 (CHEMBL1175066)	Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 to 15 mins
50035202	26	ChEMBL_70422 (CHEMBL682257)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP
50035202	34	ChEMBL_70428 (CHEMBL681285)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP
50035202	24	ChEMBL_70420 (CHEMBL682255)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP
50035202	19	ChEMBL_70424 (CHEMBL681281)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP
50035202	36	ChEMBL_70419 (CHEMBL682254)	Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase
50010728	4	ChEMBL_34055 (CHEMBL643912)	Inhibition of binding of [3H]rauwolscine to Alpha-2 adrenergic receptor in rat cortical membranes
50010728	3	ChEMBL_34005 (CHEMBL643634)	Inhibition of binding of [3H]prazosin to Alpha-1 adrenergic receptor in rat cortical membranes
50048516	1	ChEMBL_154565 (CHEMBL761913)	Inhibition of human Phosphodiesterase 7 of HUT-78 cells
50048516	2	ChEMBL_154566 (CHEMBL761914)	Inhibition of human Phosphodiesterase 7 of HUT-78 cells
50035211	3	ChEMBL_199849 (CHEMBL873135)	Concentration required to inhibit the interaction of Selectin E and HL-60 cells
50035211	4	ChEMBL_200025 (CHEMBL810714)	Concentration required to inhibit the interaction of Selectin P and HL-60 cells
50035212	10	ChEMBL_202129 (CHEMBL808118)	Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain
50035212	2	ChEMBL_62632 (CHEMBL676678)	Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.
50048517	2	ChEMBL_139512 (CHEMBL748269)	Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.
50048517	3	ChEMBL_138539 (CHEMBL746257)	Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.
50048517	4	ChEMBL_139885 (CHEMBL857563)	Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.
50048517	5	ChEMBL_139240 (CHEMBL746455)	Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.
50048518	1	ChEMBL_66404 (CHEMBL677098)	Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue
50048518	2	ChEMBL_66405 (CHEMBL677099)	Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue
50035219	3	ChEMBL_160973 (CHEMBL766364)	Competitive kinetic for human alpha thrombin inhibition Ki was determined
50048519	1	ChEMBL_157043 (CHEMBL765686)	Inhibition of human neutrophil phosphodiesterase type IV (PDE4)
50048519	2	ChEMBL_157066 (CHEMBL764848)	Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4)
50048519	3	ChEMBL_157065 (CHEMBL764847)	Inhibition of rolipram binding to Phosphodiesterase 4
50048519	4	ChEMBL_157042 (CHEMBL765685)	Inhibition of human Phosphodiesterase 4
50011525	4	ChEMBL_65800 (CHEMBL679704)	In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.
50035223	2	ChEMBL_68014 (CHEMBL678521)	Compound was evaluated for its inhibitory activity against estrone sulfatase enzyme
50048520	1	ChEMBL_1387 (CHEMBL616459)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand
50048520	2	ChEMBL_2068 (CHEMBL616712)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1E receptor in CHO cells, using [3H]5-HT as radioligand
50048520	3	ChEMBL_3309 (CHEMBL619010)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 4 receptor in HeLa cells, using [3H]LSD as radioligand
50048520	4	ChEMBL_2097 (CHEMBL617133)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand
50048520	5	ChEMBL_1042 (CHEMBL616243)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioligand
50048520	6	ChEMBL_3652 (CHEMBL620788)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n=3
50048520	7	ChEMBL_60550 (CHEMBL670660)	The compound was tested for the binding affinity towards human cloned Dopamine receptor D2 in CHO cells, using [125I]iodosulpride as radioligand
50048520	8	ChEMBL_2543 (CHEMBL616893)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radioligand
50048520	9	ChEMBL_1762 (CHEMBL616548)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand
50048520	10	ChEMBL_2773 (CHEMBL617769)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2C receptor in HEK293 cells, using [3H]5-mesulergine as radioligand
50048520	11	ChEMBL_2894 (CHEMBL617612)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand
50048520	12	ChEMBL_34623 (CHEMBL643904)	The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor
50048520	13	ChEMBL_3732 (CHEMBL620733)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 7 receptor in HEK293 cells, using [3H]5-CT as radioligand
50048520	14	ChEMBL_3653 (CHEMBL620789)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n=9
50048520	15	ChEMBL_2096 (CHEMBL617132)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand
50048520	16	ChEMBL_62604 (CHEMBL679082)	The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand
50048520	17	ChEMBL_62605 (CHEMBL858401)	The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand
50048520	18	ChEMBL_3654 (CHEMBL620790)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]LSD as radioligand; n=3
50048520	19	ChEMBL_2895 (CHEMBL617613)	The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand
50048521	1	ChEMBL_149055 (CHEMBL761409)	Ability to displace [3H]oxytocin from human OT receptor (hOT)
50048521	2	ChEMBL_149056 (CHEMBL761410)	Compound was tested for its ability to displace [3H]oxytocin from human Oxytocin receptor
50011990	4	ChEMBL_214546 (CHEMBL819383)	Compound was tested for its ability to displace vasopressin from human Vasopressin V1a receptor
50011990	3	ChEMBL_149054 (CHEMBL761408)	Displacement of 3[H]oxytocin from human oxytocin receptor
50035226	3	ChEMBL_68467 (CHEMBL682056)	Inhibitory activity against mammalian protein-farnesyltransferase
50035226	4	ChEMBL_68465 (CHEMBL682054)	Inhibitory activity against mammalian protein-Farnesyltransferase
50012029	3	ChEMBL_88519 (CHEMBL699616)	Inhibition against GRO-alpha driven human neutrophil chemotaxis
50012067	5	ChEMBL_30285 (CHEMBL642080)	AE maximal score at Adenosine A2A receptor
50048522	1	ChEMBL_157037 (CHEMBL765680)	Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells
50048522	2	ChEMBL_157216 (CHEMBL769540)	Inhibition of rolipram binding in rat brain
50048523	1	ChEMBL_157039 (CHEMBL765682)	Inhibition of Phosphodiesterase 4 from human U937 cells
50048523	2	ChEMBL_157221 (CHEMBL769545)	Inhibition of rolipram binding to PDE4 in rat brain
50048524	1	ChEMBL_157057 (CHEMBL769679)	Inhibition of Phosphodiesterase 4 from human U937 cells
50048524	2	ChEMBL_157365 (CHEMBL762041)	Inhibition of rolipram binding to PDE4 of rat brain
50048524	3	ChEMBL_157056 (CHEMBL873634)	Inhibition of Phosphodiesterase 4
50012092	20	ChEMBL_158351 (CHEMBL768495)	Inhibition of Platelet-derived growth factor receptor (Inactive at 1 mM ATP)
50035234	2	ChEMBL_79805 (CHEMBL696065)	Compound was tested for inhibitory activity against HIV-1 protease
50048525	1	ChEMBL_139830 (CHEMBL746305)	Binding affinity against human muscarine receptor (hM4) cloned in CHO cells
50048525	2	ChEMBL_139829 (CHEMBL746304)	Binding affinity against human muscarine receptor (hM3) cloned in CHO cells
50048525	3	ChEMBL_139827 (CHEMBL746302)	Binding affinity against human muscarine receptor (hM1) cloned in CHO cells
50048525	4	ChEMBL_139828 (CHEMBL746303)	Binding affinity against human muscarine receptor (hM2) cloned in CHO cells
50048526	1	ChEMBL_200646 (CHEMBL802980)	Inhibition of sialidase activity
50048526	2	ChEMBL_200648 (CHEMBL802981)	Inhibition of sialidase activity
50048527	1	ChEMBL_200640 (CHEMBL802974)	Inhibition of influenza A sialidase in vitro.
50048527	2	ChEMBL_200642 (CHEMBL802976)	Inhibitory concentration by Sialidase inhibitory assay; range-5.4-10.2
50048527	3	ChEMBL_200641 (CHEMBL802975)	Inhibitory concentration by Sialidase inhibitory assay; range-5.1-10.2
50048528	1	ChEBML_85661	Binding affinity for the human Histamine H2 receptor
50048528	2	ChEBML_84556	Binding affinity for the human Histamine H1 Receptor
50048528	3	ChEBML_87054	Binding affinity for the rat cortical Histamine H3 receptor
50048528	4	ChEMBL_87054 (CHEMBL697327)	Binding affinity for the rat cortical Histamine H3 receptor
50048528	5	ChEMBL_84556 (CHEMBL692991)	Binding affinity for the human Histamine H1 Receptor
50048528	6	ChEMBL_85661 (CHEMBL702652)	Binding affinity for the human Histamine H2 receptor
50041046	3	ChEMBL_86931 (CHEMBL697540)	Binding affinity towards Histamine H3 receptor of rat cortical membranes.
50041046	2	ChEMBL_85658 (CHEMBL702650)	Binding affinity towards Histamine H2 receptor from human membranes
50041046	4	ChEMBL_84552 (CHEMBL692987)	Binding affinity towards Histamine H1 receptor of human membranes.
50012218	4	ChEMBL_71602 (CHEMBL689134)	Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the cloned human Gonadotropin-releasing hormone receptor was evaluated
50012218	5	ChEMBL_71757 (CHEMBL858404)	Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the rat Gonadotropin-releasing hormone receptor was evaluated
50035240	3	ChEMBL_201822 (CHEMBL805330)	Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes
50035240	4	ChEMBL_62467 (CHEMBL678932)	Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes
50035243	6	ChEMBL_155367 (CHEMBL762512)	Inhibition of Phosphodiesterase 5 from rat diaphragm
50012264	28	ChEMBL_37270 (CHEMBL656020)	Inhibition constant against Beta-galactosidase from Jack beans; Mixed (Non competitive and competitive)
50012264	20	ChEMBL_39384 (CHEMBL659242)	Inhibition constant (Non competitive) of compound against Beta-galactosidase from Aspergillus niger
50012264	22	ChEMBL_34089 (CHEMBL647981)	Inhibition constant (Competitive)of the compound against alpha-L-Fucosidase from Human placenta
50012264	29	ChEMBL_37292 (CHEMBL655204)	Inhibition constant (Competitive) against Beta-galactosidase from Bovine liver
50012264	17	ChEMBL_33959 (CHEMBL649584)	Inhibition constant (Competitive) against alpha-L-Fucosidase from Bovine epididymis
50012264	30	ChEMBL_37128 (CHEMBL651772)	Inhibitor concentration against Beta-galactosidase from was Escherichia coli
50035244	2	ChEMBL_62622 (CHEMBL678245)	Displacement of [3H]WIN-35428 from dopamine transporter of rat caudate putamen tissue
50012290	4	ChEMBL_3681 (CHEMBL620816)	Compound was tested for its binding affinity towards human 5-hydroxytryptamine 7 receptor from HEK293 cells using radioligand [3H]LSD
50035247	3	ChEMBL_99589 (CHEMBL708316)	Inhibitory concentration for MAGI-3 PDZ2 domain
50048529	1	ChEMBL_205898 (CHEMBL814482)	Affinity for human Tachykinin receptor 1 expressed in CHO cells
50031961	1	ChEMBL_642955 (CHEMBL1176193)	Inhibition of PARP1
50031961	2	ChEMBL_642971 (CHEMBL1176209)	Inhibition of PARP2
50031962	1	ChEMBL_642991 (CHEMBL1176383)	Inhibition of CYP3A4
50031963	1	ChEMBL_643029 (CHEMBL1176543)	Agonist activity at rat NTR1 expressed in LTK cells assessed as calcium mobilization
50031963	3	ChEMBL_643027 (CHEMBL1176541)	Binding affinity to human NTR1 by gamma counting
50031963	4	ChEMBL_643026 (CHEMBL1176540)	Displacement of [125I]NT from rat NTR2 by gamma counting
50031964	1	ChEMBL_643049 (CHEMBL1176240)	Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry
50031964	2	ChEMBL_643048 (CHEMBL1176239)	Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat CRL:CD(SD)BR-COBS hippocampus by scintillation spectrometry
50031964	3	ChEMBL_643047 (CHEMBL1176238)	Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry
50031964	4	ChEMBL_643045 (CHEMBL1176236)	Binding affinity to human ERG expressed in HEK293 cells
50031964	5	ChEMBL_643050 (CHEMBL1176241)	Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry
50031965	1	ChEMBL_643086 (CHEMBL1176552)	Inhibition of AKT1 after 90 mins by IMAP assay
50031965	4	ChEMBL_643117 (CHEMBL1176583)	Inhibition of AKT3 after 90 mins by IMAP assay
50031965	5	ChEMBL_643116 (CHEMBL1176582)	Inhibition of AKT2 after 90 mins by IMAP assay
50031965	6	ChEMBL_643089 (CHEMBL1176555)	Inhibition of AKT1-mediated GSK3alpha phosphorylation in human U87 cells after 1 hr by ELISA
50031966	1	ChEMBL_643206 (CHEMBL1177017)	Inhibition of p38alpha
50031967	1	ChEMBL_643211 (CHEMBL1177022)	Inhibition of human recombinant HDAC4 after 15 mins by fluorimetric assay
50031967	2	ChEMBL_643210 (CHEMBL1177021)	Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assay
50012334	2	ChEMBL_72747 (CHEMBL681934)	Inhibitory constant against amidase free Glutathionylspermidine Synthetase mutant (C79A)
50012334	5	ChEMBL_72738 (CHEMBL681925)	Concentration required for the inhibition of enzyme Glutathionylspermidine Synthetase wild-type enzyme
50035248	4	ChEMBL_70883 (CHEMBL684541)	In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.
50035248	3	ChEMBL_28166 (CHEMBL644120)	In vitro inhibition of human recombinant AChE.
50012341	3	ChEMBL_156602 (CHEMBL759684)	Inhibition of human platelet Phosphodiesterase 3
50012341	4	ChEMBL_155385 (CHEMBL760838)	Inhibitory concentration against bovine retina phosphodiesterase 6 activity
50012341	5	ChEMBL_156000 (CHEMBL765412)	Inhibition of bovine heart Phosphodiesterase 1 (PDE1)
50012341	6	ChEMBL_155212 (CHEMBL762829)	Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)
50011584	7	ChEMBL_146921 (CHEMBL757313)	Binding affinity for delta opioid receptor by displacing [3H]DADL was determined
50011584	9	ChEMBL_148860 (CHEMBL756656)	Binding affinity for mu opioid receptor by displacing [3H]-DAMGO was determined
50031969	1	ChEMBL_643260 (CHEMBL1177071)	Inhibition of human IMPDH1
50031969	2	ChEMBL_643259 (CHEMBL1177070)	Inhibition of human IMPDH2
50031970	1	ChEMBL_643265 (CHEMBL1177197)	Inhibition of human recombinant COX2 after 5 mins
50031970	2	ChEMBL_643266 (CHEMBL1177198)	Inhibition of ovine COX1 after 5 mins
50031970	3	ChEMBL_643269 (CHEMBL1177258)	Agonist activity at human PPARgamma-LBD expressed in COS7 cells co-transfected with Gal4 by luciferase based transactivation assay
50031971	1	ChEMBL_643281 (CHEMBL1177270)	Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting
50011586	5	ChEMBL_155227 (CHEMBL764717)	Ability to inhibit human plasmin using Chromozym-PL as substrate
50035251	16	ChEMBL_3278 (CHEMBL619079)	Binding affinity towards 5-hydroxytryptamine 4 receptor in striatum membranes of guinea-pig brain was evaluated
50035254	9	ChEMBL_156604 (CHEMBL759686)	Inhibition of human Phosphodiesterase 3 from peripheral blood mononuclear cells
50035254	8	ChEMBL_157058 (CHEMBL769680)	Inhibition of [3H]rolipram binding in human peripheral blood mononuclear cells
50035254	10	ChEMBL_156151 (CHEMBL760920)	Inhibition of human Phosphodiesterase 1 from peripheral blood mononuclear cells
50035255	11	ChEMBL_71816 (CHEMBL683647)	In vitro inhibition of geranylgeranyl-protein transferase type-I
50035256	4	ChEMBL_33957 (CHEMBL649582)	Binding affinity against alpha-L-fucosidase in bovine kidney was determined
50035257	7	ChEMBL_53193 (CHEMBL666572)	In vitro inhibition of porcine Dipeptidylpeptidase II.
50035257	3	ChEMBL_54693 (CHEMBL669548)	Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)
50012448	4	ChEMBL_162532 (CHEMBL767436)	Inhibition of protein kinase C (PKC)
50012451	2	ChEMBL_159288 (CHEMBL764271)	Ability to prevent cleavage of acompound by the HIV protease wild-type enzyme
50035259	5	ChEMBL_208729 (CHEMBL809419)	Compound was tested for inhibitory activity against Thrombin
50048530	1	ChEMBL_87385 (CHEMBL694933)	Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells
50048530	2	ChEMBL_87386 (CHEMBL694934)	Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells
50048531	1	ChEMBL_209399 (CHEMBL811331)	In vitro inhibitory activity against human Thrombin (FIIa) cleavage of the chromogenic substrate
50048532	1	ChEMBL_205899 (CHEMBL814483)	Affinity for human Tachykinin receptor 1 expressed in CHO cells
50048533	1	ChEMBL_85805 (CHEMBL697083)	Binding affinity at human cortical Histamine 2 receptor
50048533	2	ChEMBL_86929 (CHEMBL697538)	Binding affinity at rat cortical Histamine H3 receptor
50048533	3	ChEMBL_84551 (CHEMBL692986)	Binding affinity of human cortical histamine H1 receptor
50048533	4	ChEMBL_85806 (CHEMBL697084)	Binding affinity at human cloned Histamine 3 receptor
50048533	5	ChEMBL_85804 (CHEMBL697082)	Binding affinity at human cortical Histamine 1 receptor
50048533	6	ChEMBL_85657 (CHEMBL702649)	Binding affinity to the human cortical histamine H2 receptor
50048533	7	ChEMBL_83794 (CHEMBL692571)	Binding affinity at human cloned Histamine H3 receptor
50048533	8	ChEMBL_85807 (CHEMBL697085)	Binding affinity at rat cortical Histamine 3 receptor
50031973	1	ChEMBL_641693 (CHEMBL1176860)	Inhibition of wild type human ABL after 1 hr by TR-FRET assay
50031973	2	ChEMBL_641699 (CHEMBL1176866)	Inhibition of ABL autophosphorylation
50031974	1	ChEMBL_641759 (CHEMBL1177082)	Inhibition of human C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 30 mins by luciferase-derived luminescence assay
50031975	1	ChEMBL_641771 (CHEMBL1177094)	Inhibition of Aeromonas hydrophila cphA
50031975	2	ChEMBL_641774 (CHEMBL1177097)	Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator
50031975	3	ChEMBL_641775 (CHEMBL1177098)	Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator
50031975	4	ChEMBL_641776 (CHEMBL1177099)	Inhibition of bovine intestinal alkaline phosphatase
50031976	1	ChEMBL_642020 (CHEMBL1176359)	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 30 mins before LPS challenge measured after 20 hrs by Griess reaction method relative to control
50031976	2	ChEMBL_642022 (CHEMBL1176361)	Inhibition of human recombinant COX2 assessed as PGE2 production after 10 mins by ELISA
50031976	3	ChEMBL_642024 (CHEMBL1176363)	Inhibition of sheep seminal vesicles COX1 assessed as PGE2 production after 10 mins by ELISA
50031977	2	ChEMBL_642035 (CHEMBL1176067)	Displacement of [125I-C5a] from C5a receptor in human PBMC by scintillation counting
50031977	3	ChEMBL_642037 (CHEMBL1176069)	Antagonist activity at human C3a receptor in human U937 cells assessed as inhibition of intracellular calcium mobilization
50031978	1	ChEMBL_642050 (CHEMBL1176082)	Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli
50012519	12	ChEMBL_61300 (CHEMBL673093)	Dopamine receptor D2 functional activity was assessed via inhibition of forskolin stimulated cAMP production from Whole cells
50012519	13	ChEMBL_62965 (CHEMBL677456)	Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand
50031982	1	ChEMBL_642348 (CHEMBL1177374)	Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage
50031982	2	ChEMBL_642347 (CHEMBL1177373)	Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competitive binding assay
50031983	1	ChEMBL_642349 (CHEMBL1177375)	Inhibition of COX2 by microplate reader
50031984	1	ChEMBL_642381 (CHEMBL1177574)	Inhibition of human erythrocyte AChE by Ellman's reaction
50031984	2	ChEMBL_642380 (CHEMBL1177573)	Inhibition of human serum BChE by Ellman's reaction
50031984	3	ChEMBL_642383 (CHEMBL1177576)	Inhibition of bovine erythrocyte AChE by Ellman's reaction
50031984	4	ChEMBL_642382 (CHEMBL1177575)	Inhibition of horse serum BChE by Ellman's reaction
50012520	9	ChEMBL_34580 (CHEMBL645477)	Binding affinity towards Alpha-1 adrenergic receptor was determined by competitive displacement assays using rat brain homogenate with [3H]prazosin as the competitive ligand
50035262	8	ChEMBL_145246 (CHEMBL755696)	Binding affinity at human opioid receptor kappa 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.31 nM
50035262	9	ChEMBL_148100 (CHEMBL751582)	Binding affinity at human opioid receptor mu 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.12 nM
50035262	10	ChEMBL_145476 (CHEMBL751263)	Binding affinity at human opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.8 nM
50048534	1	ChEMBL_157932 (CHEMBL765900)	Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of incubation
50048535	1	ChEMBL_88854 (CHEMBL697873)	In vitro inhibition of human tryptase.
50031986	1	ChEMBL_642509 (CHEMBL1175882)	Inhibition of Aurora A
50031986	2	ChEMBL_642516 (CHEMBL1176122)	Inhibition of GST-tagged EGFR expressed in Escherichia coli
50031987	1	ChEMBL_644429 (CHEMBL1211213)	Inhibition of human GSK3-beta
50031987	2	ChEMBL_644440 (CHEMBL1211278)	Inhibition of CK1alpha1
50031987	3	ChEMBL_644441 (CHEMBL1211279)	Inhibition of CK2alpha
50031987	4	ChEMBL_644442 (CHEMBL1211280)	Inhibition of EGFR
50031987	5	ChEMBL_644444 (CHEMBL1211282)	Inhibition of IGF1R
50031987	6	ChEMBL_644445 (CHEMBL1211283)	Inhibition of JNK1
50031987	7	ChEMBL_644446 (CHEMBL1211284)	Inhibition of MAPKAPK2
50031987	8	ChEMBL_644447 (CHEMBL1211285)	Inhibition of TYRO3/SKY
50031987	9	ChEMBL_644448 (CHEMBL1211286)	Inhibition of ERK1
50031988	1	ChEMBL_644490 (CHEMBL1211328)	Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR assay
50031989	1	ChEMBL_644535 (CHEMBL1211412)	Antagonist activity against human adenosine A2B receptor
50031989	2	ChEMBL_644536 (CHEMBL1211413)	Antagonist activity against human adenosine A2A receptor
50031989	3	ChEMBL_644538 (CHEMBL1211415)	Antagonist activity against human adenosine A3 receptor
50031989	4	ChEMBL_644537 (CHEMBL1211414)	Antagonist activity against human adenosine A1 receptor
50031989	5	ChEMBL_644540 (CHEMBL1211417)	Antagonist activity against rat adenosine A2A receptor
50031989	6	ChEMBL_644539 (CHEMBL1211416)	Antagonist activity against rat adenosine A1 receptor
50031990	1	ChEMBL_644588 (CHEMBL1211525)	Binding affinity to FLAP in human PMN by radioligand displacement assay
50031990	2	ChEMBL_644596 (CHEMBL1211533)	Inhibition of CYP3A4
50031990	3	ChEMBL_644597 (CHEMBL1211534)	Inhibition of CYP2D6
50031990	4	ChEMBL_644598 (CHEMBL1211535)	Inhibition of CYP2C9
50031990	6	ChEMBL_644600 (CHEMBL1211537)	Inhibition of COX2
50031991	1	ChEMBL_644639 (CHEMBL1211618)	Inhibition of CYP1A2
50048536	1	ChEMBL_210701 (CHEMBL817298)	Inhibitory concentration against human tryptase
50031991	2	ChEMBL_644640 (CHEMBL1211619)	Inhibition of CYP2C9
50031991	3	ChEMBL_644641 (CHEMBL1211620)	Inhibition of CYP2C19
50031991	4	ChEMBL_644642 (CHEMBL1211621)	Inhibition of CYP2D6
50031991	5	ChEMBL_644643 (CHEMBL1211622)	Inhibition of CYP3A4 using diethoxyfluorescein as substrate
50031991	6	ChEMBL_644644 (CHEMBL1211623)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate
50031992	1	ChEMBL_644657 (CHEMBL1211636)	Antagonist activity at human bradykinin B1 receptor assessed as inhibition of Lys-desArg9-BK-induced calcium flux
50031992	2	ChEMBL_644658 (CHEMBL1211637)	Displacement of [3H]Lys-desArg9-BK from human bradykinin B1 receptor
50031994	1	ChEMBL_644674 (CHEMBL1211653)	Inhibition of sheep COX1 by enzyme immunoassay
50031994	2	ChEMBL_644675 (CHEMBL1211654)	Inhibition of human COX2 by enzyme immunoassay
50035264	2	ChEMBL_50492 (CHEMBL658193)	Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B
50048537	2	ChEMBL_3727 (CHEMBL619899)	Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand
50048537	3	ChEMBL_3308 (CHEMBL619009)	Compound was tested for its binding affinity for 5-hydroxytryptamine 4 receptor
50048537	4	ChEMBL_2094 (CHEMBL617130)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 1F receptor in CHO using [3H]5-HT as a radioligand
50048537	5	ChEMBL_1038 (CHEMBL616239)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 1A receptor in HEK 293 using [3H]5-CT as a radioligand
50048537	6	ChEMBL_2540 (CHEMBL616890)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 2A receptor in HEK 293 using [3H]ketanserin as a radioligand
50048537	7	ChEMBL_3649 (CHEMBL857992)	Compound was tested for its binding affinity in 5-hydroxytryptamine 6 receptor (using human cloned receptors in HeLa and [3H]LSD as a radioligand )
50048537	8	ChEMBL_2064 (CHEMBL616708)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 1E receptor in CHO using [3H]5-HT as a radioligand
50048537	9	ChEMBL_34321 (CHEMBL648104)	Compound was tested for its binding affinity for Alpha 1B adrenergic receptor
50048537	10	ChEMBL_2768 (CHEMBL617764)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 2C receptor in HEK 293 using [3H]mesulergine as a radioligand
50048537	11	ChEMBL_1760 (CHEMBL616546)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 1D receptor in CHO using [3H]5-HT as a radioligand
50048537	12	ChEMBL_3728 (CHEMBL619900)	Compound was tested for its binding affinity in 5-hydroxytryptamine 7 receptor (using human cloned receptors in HEK 293 and [3H]5-CT as a radioligand )
50048537	13	ChEMBL_1385 (CHEMBL616457)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 1B receptor in CHO using [3H]5-HT as a radioligand
50048537	14	ChEMBL_2892 (CHEMBL617610)	Compound was tested for its binding affinity for human cloned 5-hydroxytryptamine 2B receptor in HEK 293 using [3H]ketanserin as a radioligand
50048537	15	ChEMBL_3589 (CHEMBL618075)	Compound was tested for its binding affinity in 5-hydroxytryptamine 5A receptor (using human cloned receptors in HEK 293 and [3H]5-CTas a radioligand )
50048538	1	ChEMBL_88825 (CHEMBL698880)	Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity
50048539	1	ChEMBL_87537 (CHEMBL695135)	Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells.
50042175	4	ChEMBL_32501 (CHEMBL641378)	Inhibition of binding of [3H]-prazosin at alpha1 adrenoceptors isolated from rat brain
50042175	6	ChEMBL_32519 (CHEMBL641400)	Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts
50042175	5	ChEMBL_32510 (CHEMBL641225)	Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts
50042175	7	ChEMBL_32513 (CHEMBL641228)	Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts
50042175	8	ChEMBL_32520 (CHEMBL641401)	In vitro binding affinity against cloned human alpha-1D-adrenoceptor receptors expressed in rat-1 fibroblasts
50042175	9	ChEMBL_32514 (CHEMBL641229)	In vitro binding affinity against cloned human alpha-1B-adrenoceptor receptors expressed in rat-1 fibroblasts
50042175	10	ChEMBL_32511 (CHEMBL641226)	In vitro binding affinity against cloned human alpha-1A-adrenoceptor receptors expressed in rat-1 fibroblasts
50031996	1	ChEMBL_643443 (CHEMBL1212307)	Inhibition of human cathepsin S by fluorescence assay
50031996	2	ChEMBL_643444 (CHEMBL1212308)	Inhibition of human cathepsin K by fluorescence assay
50031996	3	ChEMBL_643447 (CHEMBL1212311)	Inhibition of cathepsin S in human JY cells assessed as induction of accumulation of lip10
50031997	1	ChEMBL_643451 (CHEMBL1212315)	Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay
50031997	2	ChEMBL_643468 (CHEMBL1212332)	Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by whole cell path clamp method
50031998	1	ChEMBL_643471 (CHEMBL1212335)	Displacement of radio labeled 11 Tyr SST14 from human SST5 receptor expressed in CHO cells
50031998	2	ChEMBL_643481 (CHEMBL1212345)	Antagonist activity at human SST5 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by FRET assay
50031999	1	ChEMBL_643485 (CHEMBL1212349)	Inhibition of human recombinant GST-fused NIK expressed in Sf9 cells after 60 mins by radiometric protein kinase assay
50032000	1	ChEMBL_643523 (CHEMBL1212387)	Binding affinity to CB1 receptor in rat brain synaptosomal membranes
50032000	2	ChEMBL_643537 (CHEMBL1212401)	Inhibition of human recombinant CB1 receptor expressed in CHO cells
50032000	3	ChEMBL_643538 (CHEMBL1212402)	Antagonist activity at CB1 receptor in forskolin-stimulated human U373-MG cells assessed as inhibition of CP-55940-induced cAMP accumulation
50035265	3	ChEMBL_162109 (CHEMBL767800)	Inhibitory concentration against Protein-tyrosine phosphatase 1B (PTP1B)
50042177	15	ChEMBL_1047 (CHEMBL616248)	Binding affinity against 5-hydroxytryptamine 1A receptor
50042177	17	ChEMBL_61647 (CHEMBL672502)	Binding affinity against Dopamine receptor D2L
50042177	18	ChEMBL_33813 (CHEMBL647197)	Binding affinity against Alpha-3A adrenergic receptor
50042177	19	ChEMBL_33199 (CHEMBL640500)	Binding affinity against Alpha-2A adrenergic receptor
50042177	20	ChEMBL_84544 (CHEMBL697646)	Binding affinity against Histamine H1 receptor
50042177	21	ChEMBL_2941 (CHEMBL857073)	Binding affinity against 5-HT1A receptor
50042177	22	ChEMBL_62452 (CHEMBL679224)	Binding affinity against Dopamine receptor D3
50042177	23	ChEMBL_33870 (CHEMBL643743)	Binding affinity against Alpha-1A adrenergic receptor
50042177	24	ChEMBL_1046 (CHEMBL616247)	Binding affinity against 5-HT1D receptor
50042177	16	ChEMBL_1669 (CHEMBL616660)	Binding affinity against 5-hydroxytryptamine 1D receptor
50042177	14	ChEMBL_2511 (CHEMBL617398)	Binding affinity against 5-HT2A receptor
50042177	25	ChEMBL_60843 (CHEMBL675985)	Binding affinity against Dopamine receptor D4
50048540	1	ChEMBL_217368 (CHEMBL822880)	Binding affinity at corticotropin releasing hormone receptor in rat frontal cortex homogenates by [125I]Tyr-o-CRF displacement.
50011663	3	ChEMBL_143684 (CHEMBL756251)	Inhibition of I-PYY binding to Nueopeptide Y1 receptor expressed in human neuroblastoma SK-N-MC cells
50048541	1	ChEMBL_34223 (CHEMBL648717)	Binding affinity by its ability to displace [3H]rauwolscine radioligand from Alpha-2 adrenergic receptor on rat cerebral cortex
50048541	2	ChEMBL_34452 (CHEMBL651984)	Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex
50048541	3	ChEMBL_33841 (CHEMBL647615)	Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex
50048542	1	ChEMBL_157046 (CHEMBL765689)	Inhibition of human phosphodiesterase 4 from U937 cells
50048542	2	ChEMBL_157225 (CHEMBL769549)	Inhibition of rolipram binding to rat brain
50048542	3	ChEMBL_157047 (CHEMBL765690)	Inhibition of human phosphodiesterase 4 from U937 cells
50032002	1	ChEMBL_643635 (CHEMBL1212499)	Displacement of [3H]BRL 43694 from human recombinant 5HT3 receptor expressed in CHO cells
50032002	2	ChEMBL_643634 (CHEMBL1212498)	Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in HEK293 cells
50032002	3	ChEMBL_643633 (CHEMBL1212497)	Displacement of [125I]CYP from 5HT1B receptor expressed in rat cerebral cortex
50032002	4	ChEMBL_643632 (CHEMBL1212496)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells
50032002	5	ChEMBL_643631 (CHEMBL1212495)	Displacement of [3H]SQ 29548 from human recombinant TXA2 receptor expressed in HEK293 cells
50032002	6	ChEMBL_643630 (CHEMBL1212494)	Displacement of [3H]nociceptin from human recombinant ORL1 receptor expressed in H recombinant HEK293 cells
50032002	7	ChEMBL_643629 (CHEMBL1212493)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cells
50032002	8	ChEMBL_643628 (CHEMBL1212492)	Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells
50032002	9	ChEMBL_643626 (CHEMBL1212490)	Displacement of [125I]Tyr3-neurotensin from human recombinant NT1 receptor expressed in H recombinant CHO cells
50032002	10	ChEMBL_643625 (CHEMBL1212489)	Displacement of [125I]peptide YY from human recombinant Y2 receptor expressed in KAN-TS cells
50032002	11	ChEMBL_643624 (CHEMBL1212488)	Displacement of [125I]peptide YY from human recombinant Y1 receptor expressed in SK-NM- cell
50032002	12	ChEMBL_643623 (CHEMBL1212487)	Displacement of [3H]SR 142801 from human recombinant NK3 receptor expressed in CHO cells
50032002	13	ChEMBL_643622 (CHEMBL1212486)	Displacement of [125I]NKA from human recombinant NK2 receptor expressed in CHO cells
50032002	14	ChEMBL_643621 (CHEMBL1212485)	Displacement of [3H]4-DAMP from human recombinant muscarinic M3 receptor expressed in CHO cells
50032002	15	ChEMBL_643620 (CHEMBL1212484)	Displacement of [3H]AF-DX 384 from human recombinant muscarinic M2 receptor expressed in CHO cells
50032002	16	ChEMBL_643619 (CHEMBL1212483)	Displacement of [3H]pirenzepine from human recombinant muscarinic M1 receptor expressed in CHO cells
50032002	17	ChEMBL_643618 (CHEMBL1212482)	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in CHO cells
50032002	18	ChEMBL_643617 (CHEMBL1212481)	Displacement of [125I]NDP-a-MSH from human recombinant MC4 receptor expressed in CHO cells
50032002	19	ChEMBL_643616 (CHEMBL1212480)	Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells
50032002	20	ChEMBL_643615 (CHEMBL1212479)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells
50032002	21	ChEMBL_643614 (CHEMBL1212478)	Displacement of [125I]MIP-1a from human recombinant CCR1 receptor expressed in HEK293 cells
50032002	22	ChEMBL_643613 (CHEMBL1212477)	Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells
50032002	23	ChEMBL_643612 (CHEMBL1212476)	Displacement of [125I]Galanin from human recombinant GAL2 receptor expressed in CHO cells
50032002	24	ChEMBL_643610 (CHEMBL1212474)	Displacement of [125I]endothelin-1 from human recombinant ETA receptor expressed in CHO cells
50032002	25	ChEMBL_643609 (CHEMBL1212473)	Displacement of [3H]spiperone from human recombinant dopamine D2S receptor expressed in HEK293 cells
50032002	26	ChEMBL_643608 (CHEMBL1212472)	Displacement of [3H]SCH 23390 from human recombinant dopamine D1 receptor expressed in CHO cells
50032002	27	ChEMBL_643607 (CHEMBL1212471)	Displacement of [125I]CCK-8 from human recombinant CCKA receptor expressed in CHO cells
50032002	28	ChEMBL_643606 (CHEMBL1212470)	Displacement of [3H]bradykinin from human recombinant bradykinin B2 receptor expressed in CHO cells
50032002	29	ChEMBL_643604 (CHEMBL1212468)	Displacement of [125I][Sar1,Ile8]-AT II from human recombinant AT1 receptor expressed in HEK293 cells
50032002	31	ChEMBL_643602 (CHEMBL1212466)	Displacement of [3H](-)CGP 12177 from human recombinant beta-1 receptor expressed in HEK293 cells
50032002	32	ChEMBL_643599 (CHEMBL1212463)	Displacement of [3H]AB-MECA from human recombinant A3 receptor expressed in HEK293 cells
50032002	33	ChEMBL_643598 (CHEMBL1212462)	Displacement of [3H]CGS21680 from human recombinant A2A receptor expressed in HEK293 cells
50032002	34	ChEMBL_643597 (CHEMBL1212461)	Displacement of [3H]DPCPX from human recombinant A1 receptor expressed in CHO cells
50032002	35	ChEMBL_643596 (CHEMBL1212460)	Inhibition of mouse brain MAGL
50032002	36	ChEMBL_643592 (CHEMBL1212456)	Inhibition of mouse brain CB2 receptor
50032002	37	ChEMBL_643591 (CHEMBL1212455)	Inhibition of mouse brain CB1 receptor
50032002	38	ChEMBL_643589 (CHEMBL1212453)	Inhibition of mouse brain FAAH assessed as conversion of [3H-ethanolamine]AEA to [3H]ethanolamine by scintillation counting
50032002	39	ChEMBL_643648 (CHEMBL1212512)	Displacement of [3H]imipramine from human recombinant 5HT transporter expressed in CHO cells
50032002	40	ChEMBL_643647 (CHEMBL1212511)	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells
50032002	41	ChEMBL_643644 (CHEMBL1212508)	Displacement of [125I]apamin from SK+Ca channel in rat cerebral cortex
50032002	42	ChEMBL_643641 (CHEMBL1212505)	Displacement of [3H]AVP from human recombinant V1a receptor expressed in H recombinant CHO cells
50032002	43	ChEMBL_643638 (CHEMBL1212502)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells
50032002	44	ChEMBL_643637 (CHEMBL1212501)	Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in CHO cells
50032002	45	ChEMBL_643636 (CHEMBL1212500)	Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in CHO cells
50032003	1	ChEMBL_643686 (CHEMBL1212550)	Inhibition of human CY2D6
50032003	2	ChEMBL_643687 (CHEMBL1212551)	Inhibition of human CY3A4
50032004	1	ChEMBL_643699 (CHEMBL1212563)	Inhibition of Escherichia coli FabH
50032005	1	ChEMBL_643703 (CHEMBL1212567)	Inhibition of human recombinant cathepsin B
50032005	2	ChEMBL_643704 (CHEMBL1212568)	Inhibition of human recombinant cathepsin L
50032005	3	ChEMBL_643705 (CHEMBL1212569)	inhibition of cathepsin S in human JY cells assessed as Lip10 accumulation by Western blotting
50032005	4	ChEMBL_643701 (CHEMBL1212565)	Inhibition of human recombinant cathepsin S
50032005	5	ChEMBL_643702 (CHEMBL1212566)	Inhibition of human recombinant cathepsin K
50032006	1	ChEMBL_643711 (CHEMBL1212575)	Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by fluorescence plate reader
50032006	2	ChEMBL_643712 (CHEMBL1212576)	Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate by fluorescence plate reader
50032006	3	ChEMBL_643713 (CHEMBL1212577)	Inhibition of human recombinant CYP3A4 using 7-benzyloxyquinoline as substrate by fluorescence plate reader
50032006	4	ChEMBL_643714 (CHEMBL1212578)	Inhibition of human recombinant CYP2C9 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin as substrate by fluorescence plate reader
50032006	5	ChEMBL_643715 (CHEMBL1212579)	Inhibition of human recombinant CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin as substrate by fluorescence plate reader
50032006	6	ChEMBL_643706 (CHEMBL1212570)	Inhibition of PLK1 by SPA assay
50032006	7	ChEMBL_643707 (CHEMBL1212571)	Inhibition of full lungth PLK3 by SPA assay
50032007	1	ChEMBL_643731 (CHEMBL1212595)	Antagonist activity at human Smo receptor in HEPM cells assessed as inhibition of Gli expression after 24 hrs by quantigene assay
50032008	2	ChEMBL_643823 (CHEMBL1212687)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50042179	6	ChEMBL_33758 (CHEMBL650231)	In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as functional assay
50042179	4	ChEMBL_32582 (CHEMBL643420)	In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as functional assay
50042179	5	ChEMBL_34480 (CHEMBL875931)	In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as functional assay
50032008	7	ChEMBL_643826 (CHEMBL1212690)	Agonist activity at human MC1 receptor expressed in CHO cells assessed as increase of alpha-MSH-induced cAMP accumulation
50032008	3	ChEMBL_643831 (CHEMBL1211730)	Displacement of [125I]NDP-alpha-MSH from human MC5 receptor expressed in CHO cells
50032009	1	ChEMBL_643843 (CHEMBL1211742)	Inhibition of human DPP8
50032009	2	ChEMBL_643844 (CHEMBL1211743)	Inhibition of human DPP89
50032009	3	ChEMBL_643848 (CHEMBL1211747)	inhibition of CYP3A4
50032009	4	ChEMBL_643849 (CHEMBL1211748)	inhibition of CYP2C9
50032009	5	ChEMBL_643850 (CHEMBL1211749)	inhibition of CYP2C19
50032009	6	ChEMBL_643851 (CHEMBL1211750)	inhibition of CYP1A2
50032009	7	ChEMBL_643842 (CHEMBL1211741)	Inhibition of human DPP4
50032011	1	ChEMBL_643861 (CHEMBL1211760)	Inhibition of sphingosine kinase 1
50032011	2	ChEMBL_643867 (CHEMBL1211766)	Inhibition of CYP1A2
50032011	3	ChEMBL_643868 (CHEMBL1211767)	Inhibition of CYP2C9
50032011	4	ChEMBL_643869 (CHEMBL1211768)	Inhibition of CYP2C19
50032011	5	ChEMBL_643870 (CHEMBL1211769)	Inhibition of CYP2D6
50032011	6	ChEMBL_643871 (CHEMBL1211770)	Inhibition of CYP3A4
50032012	1	ChEMBL_643890 (CHEMBL1211789)	Inhibition of human cathepsin K by fluorescence assay
50032012	3	ChEMBL_643889 (CHEMBL1211788)	Inhibition of human cathepsin S by fluorescence assay
50032013	1	ChEMBL_643901 (CHEMBL1211800)	Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization
50032013	2	ChEMBL_643903 (CHEMBL1211802)	Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting
50048543	1	ChEMBL_141131 (CHEMBL747286)	Inhibitory activity against human N-Myristoyltransferase (HsNmt) assessed as inhibitory concentration using substrate peptide and myristotyl-CoA at 0.5 uM
50048543	2	ChEMBL_141128 (CHEMBL872433)	Inhibitory activity against Candida albicans N-Myristoyltransferase (CaNmt) assessed as inhibitory concentration using substrate peptide and myristotyl-CoA at 0.5 uM
50048543	3	ChEMBL_141126 (CHEMBL882639)	Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM)
50048543	4	ChEMBL_141125 (CHEMBL872737)	Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration
50048543	5	ChEMBL_141127 (CHEMBL746618)	Inhibitory activity against Candida albicans (Nmt) assessed as inhibitory concentration (nM); 3.7-9.4 nM
50048543	6	ChEMBL_141130 (CHEMBL747285)	Inhibitory activity against Candida albicans N-Myristoyltransferase (Nmt)
50035271	10	ChEMBL_61008 (CHEMBL675199)	Tested for the effective concentration against human D4.2 receptor in CHO 10001 cells established in mitogenesis assay
50035271	12	ChEMBL_61612 (CHEMBL672909)	Binding affinity of compound was tested in vitro for its ability to compete with [3H]spiperone radioligand at cloned human Dopamine receptor D2L stably expressed in CHO cells
50035272	3	ChEMBL_157380 (CHEMBL763645)	Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane
50035272	2	ChEMBL_157379 (CHEMBL763644)	Displacement of [3H]rolipram from rat forebrain membrane
50035272	4	ChEMBL_222610 (CHEMBL846286)	Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes
50035273	5	ChEMBL_124338 (CHEMBL732894)	Inhibition of Mitogen-activated protein kinase p38
50035273	7	ChEMBL_213618 (CHEMBL814991)	Inhibition of p38-related TNF-alpha release in human whole blood
50035273	8	ChEMBL_91766 (CHEMBL701015)	Inhibition of JNK2-alpha-2 kinase
50035274	4	ChEMBL_212872 (CHEMBL817822)	Inhibitory constant against trypsin determined in Vitro
50011897	4	ChEMBL_157385 (CHEMBL763650)	Inhibition of Phosphodiesterase 4
50011897	3	ChEMBL_156745 (CHEMBL761467)	Inhibition of Phosphodiesterase 3
50032016	3	ChEMBL_643970 (CHEMBL1211869)	Inhibition of human CYP3A4-mediated testosterone oxidation
50032016	4	ChEMBL_643969 (CHEMBL1211868)	Inhibition of human CYP3A4-mediated midazolam oxidation
50032017	1	ChEMBL_643973 (CHEMBL1211872)	Inhibition of rat liver ornithine decarboxylase
50032018	1	ChEMBL_643985 (CHEMBL1211884)	Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry
50011897	2	ChEMBL_155998 (CHEMBL764743)	Inhibition of Phosphodiesterase 1
50000846	5	ChEMBL_1696306 (CHEMBL4047196)	Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 1 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assay (Rvb = 6.161 +/- 0.172 microM)
50011831	2	ChEMBL_143616 (CHEMBL751676)	Compound was evaluated for its binding affinity against NS3 protease
50011837	8	ChEMBL_106659 (CHEMBL714012)	Tested for its binding affinity towards human recombinant Melanocortin 5 receptor by using radioligand binding assay
50035281	8	ChEMBL_106020 (CHEMBL718192)	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 3 receptor
50011839	3	ChEMBL_159404 (CHEMBL763457)	Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin
50011839	4	ChEMBL_157994 (CHEMBL766667)	Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin
50032020	1	ChEMBL_644014 (CHEMBL1211913)	Displacement of [3H]nicotinic acid from mouse GPR10a receptor
50032020	2	ChEMBL_644015 (CHEMBL1211914)	Displacement of [3H]nicotinic acid from human GPR10a receptor
50032021	1	ChEMBL_644022 (CHEMBL1211921)	Inhibition of mushroom tyrosinase
50032021	2	ChEMBL_644027 (CHEMBL1211926)	Inhibition of mushroom tyrosinase assessed as inhibition of oxidation L-DOPA
50032022	1	ChEMBL_644060 (CHEMBL1211959)	Binding affinity to 5HT1A receptor
50032022	2	ChEMBL_644066 (CHEMBL1211965)	Binding affinity to 5HT2A receptor
50032022	4	ChEMBL_644070 (CHEMBL1211969)	Binding affinity to adrenergic alpha-1b receptor
50032022	5	ChEMBL_644071 (CHEMBL1211970)	Binding affinity to human ERG
50032022	6	ChEMBL_644064 (CHEMBL1211963)	Binding affinity to dopamine D1 receptor
50035283	4	ChEMBL_144987 (CHEMBL754231)	Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex
50035283	5	ChEMBL_201979 (CHEMBL809261)	Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain
50035283	6	ChEMBL_62491 (CHEMBL677548)	Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum
50011890	27	ChEMBL_60727 (CHEMBL671987)	Inhibition of mitogen-activated protein kinase ERK
50011890	29	ChEMBL_158490 (CHEMBL764769)	Inhibition of Platelet-derived growth factor receptor
50011890	30	ChEMBL_221499 (CHEMBL841386)	Inhibition of p56 Lck tyrosine kinase
50011890	25	ChEMBL_70493 (CHEMBL676890)	Inhibition of Fibroblast growth factor receptor
50032022	9	ChEMBL_644062 (CHEMBL1211961)	Binding affinity to 5HT2B receptor
50032022	10	ChEMBL_644061 (CHEMBL1211960)	Binding affinity to 5HT7 receptor
50032022	11	ChEMBL_644063 (CHEMBL1211962)	Binding affinity to beta-1 adrenergic receptor
50032022	13	ChEMBL_644065 (CHEMBL1211964)	Binding affinity to dopamine D2 receptor
50032022	14	ChEMBL_644068 (CHEMBL1211967)	Binding affinity to adrenergic Alpha-1A receptor
50032022	3	ChEMBL_644069 (CHEMBL1211968)	Binding affinity to dopamine D4 receptor
50032023	1	ChEMBL_644072 (CHEMBL1211971)	Inhibition of unactive p38alpha
50032023	2	ChEMBL_644073 (CHEMBL1211972)	Inhibition of active p38alpha
50032024	1	ChEMBL_644101 (CHEMBL1212000)	Inhibition of human melatonin receptor type 1B
50048544	1	ChEMBL_50969 (CHEMBL666050)	In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates
50032024	5	ChEMBL_644105 (CHEMBL1212004)	Inhibition of human melanocortin 5 receptor
50032024	6	ChEMBL_644107 (CHEMBL1212006)	Agonist activity at rat melanocortin 4 receptor expressed in CHO cells assessed as cAMP release
50048544	2	ChEMBL_50968 (CHEMBL666049)	In vitro binding affinity to the CRF receptor in rat cortical homogenates
50032024	9	ChEMBL_644083 (CHEMBL1211982)	Agonist activity at human melanocortin 4 receptor expressed in CHO cells assessed as cAMP release
50032025	1	ChEMBL_644134 (CHEMBL1212033)	Inhibition of GTPase activity of Dynamin 1
50032026	1	ChEMBL_644143 (CHEMBL1212042)	Inhibition of CYP1A2
50032026	2	ChEMBL_644144 (CHEMBL1212043)	Inhibition of CYP2C9
50032026	3	ChEMBL_644145 (CHEMBL1212044)	Inhibition of CYP2C19
50032026	4	ChEMBL_644146 (CHEMBL1212045)	Inhibition of CYP3A4
50032027	1	ChEMBL_644190 (CHEMBL1212089)	Inhibition of Plasmodium falciparum plasmepsin-2
50048545	1	ChEMBL_50970 (CHEMBL666051)	In vitro binding affinity against Corticotropin releasing factor receptor in rat cortical homogenates
50048545	2	ChEMBL_50966 (CHEMBL872483)	In vitro binding affinity against CRF receptor in rat cortical homogenates
50035289	5	ChEMBL_106679 (CHEMBL714660)	Agonist activity against human melanocortin receptor hMC31R measured as percent cAMP accumulation at the concentration of 50 uM
50035289	4	ChEMBL_106809 (CHEMBL717497)	Binding affinity towards human melanocortin receptor hMC4R by using radioligand NDP-MSH; not determined
50012715	6	ChEMBL_48668 (CHEMBL658339)	Inhibition of recombinant human cathepsin S
50048546	1	ChEMBL_1045 (CHEMBL616246)	Binding affinity towards 5-HT1B receptor by the displacement of [3H]-5-CT] in human recombinant receptors in mammalian cell
50048546	2	ChEMBL_2188 (CHEMBL617014)	Binding affinity towards 5-hydroxytryptamine 2 receptor by the displacement of [3H]ketanserin in rat cerebral cortex membrane
50048546	3	ChEMBL_3707 (CHEMBL875101)	Ability to displace the radioligand [3H]5-carboximidotryptamine ([3H]-5-CT) from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells
50048546	4	ChEMBL_1824 (CHEMBL616796)	Binding affinity towards 5-HT2 receptor by the displacement of [3H]-ketanserin] in rat cerebral cortex
50032029	1	ChEMBL_644788 (CHEMBL1211031)	Binding affinity to rat choline transporter 1
50032030	1	ChEMBL_644878 (CHEMBL1211155)	Inhibition of p38beta
50032030	2	ChEMBL_644879 (CHEMBL1211156)	Inhibition of p38-gamma
50032030	3	ChEMBL_644880 (CHEMBL1211157)	Inhibition of p38delta
50032030	4	ChEMBL_644877 (CHEMBL1211154)	Inhibition of p38alpha
50048546	5	ChEMBL_3303 (CHEMBL619004)	Binding affinity towards 5-HT2C receptor by the displacement of [3H]mesulergine] in human recombinant receptors in mammalian cell
50048546	6	ChEMBL_2940 (CHEMBL617881)	Binding affinity towards 5-HT4 receptor by the displacement of [3H]GR-113808 in guinea-pig striatum
50048546	7	ChEMBL_3095 (CHEMBL617834)	Binding affinity towards 5-HT1A receptor by the displacement of [3H]-8-OH-DPAT] in human recombinant receptors in mammalian cell
50048546	8	ChEMBL_3679 (CHEMBL620814)	Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-CT]
50048546	9	ChEMBL_2118 (CHEMBL617202)	Binding affinity towards 5-HT7 receptor by the displacement of [3H]-5-CT] in human recombinant receptors in mammalian cell
50048547	1	ChEMBL_141171 (CHEMBL750521)	In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50048547	2	ChEMBL_141303 (CHEMBL748917)	In vitro inhibitory activity against human Nmt (HsNmt) using 0.5 uM peptide GNAASAR-R-NH2 and 0.5 uM myristoyl-CoA
50048547	3	ChEMBL_141166 (CHEMBL749827)	In vitro inhibitory activity against Aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50048547	4	ChEMBL_141176 (CHEMBL750673)	Inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50048547	5	ChEMBL_141165 (CHEMBL749826)	Inhibitory activity against Candida albicans Nmt (CaNmt)
50048547	6	ChEMBL_141173 (CHEMBL750523)	In vitro inhibitory activity against candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50048547	7	ChEMBL_141168 (CHEMBL872440)	In vitro inhibitory activity against aspergillus fumigatus Nmt (AfNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50032031	3	ChEMBL_644901 (CHEMBL1211231)	Agonist activity at human GST-fused FXR LBD expressed in HEK293 cells coexpressing GAL4-DNA bindig domain and pFRluc by mammalian one-hybrid assay
50048547	8	ChEMBL_141164 (CHEMBL749825)	In vitro inhibitory activity against Candida albicans Nmt (CaNmt) using substrate peptide GLTISKLFR-R-NH2 (0.5 uM) and myristoyl-CoA (0.5 uM)
50048548	1	ChEMBL_88591 (CHEMBL699983)	Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase
50032031	4	ChEMBL_644974 (CHEMBL1211360)	Agonist activity at TRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	5	ChEMBL_644952 (CHEMBL1211338)	Agonist activity at RARbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	6	ChEMBL_644939 (CHEMBL1211269)	Agonist activity at ERalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	7	ChEMBL_644940 (CHEMBL1211270)	Agonist activity at ERbeta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	8	ChEMBL_644941 (CHEMBL1211271)	Agonist activity at GR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	9	ChEMBL_644942 (CHEMBL1211272)	Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	10	ChEMBL_644943 (CHEMBL1211273)	Agonist activity at androgen receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	11	ChEMBL_644944 (CHEMBL1211330)	Agonist activity at progesterone receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	12	ChEMBL_644945 (CHEMBL1211331)	Agonist activity at PPARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	13	ChEMBL_644946 (CHEMBL1211332)	Agonist activity at PPAR-beta/delta-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	14	ChEMBL_644947 (CHEMBL1211333)	Agonist activity at PPARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	15	ChEMBL_644948 (CHEMBL1211334)	Agonist activity at RXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	16	ChEMBL_644949 (CHEMBL1211335)	Agonist activity at LXRalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	18	ChEMBL_644951 (CHEMBL1211337)	Agonist activity at RARalpha-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	19	ChEMBL_644953 (CHEMBL1211339)	Agonist activity at RARgamma-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	20	ChEMBL_644954 (CHEMBL1211340)	Agonist activity at CAR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	21	ChEMBL_644955 (CHEMBL1211341)	Agonist activity at VDR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032031	22	ChEMBL_644956 (CHEMBL1211342)	Agonist activity at PXR-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay
50032032	1	ChEMBL_644979 (CHEMBL1211365)	Positive allosteric modulation of human mGluR4 expressed in CHO-K1 cells assessed as decrease in forskolin-induced intracellular cAMP accumulation after 1 hr by fluorescence assay
50032032	2	ChEMBL_644981 (CHEMBL1211367)	Agonist activity at human mGluR4 expressed in CHO-K1 cells
50032032	3	ChEMBL_644982 (CHEMBL1211368)	Negative allosteric modulation of human mGluR5 expressed in CHO-K1 cells
50032032	4	ChEMBL_644983 (CHEMBL1211432)	Positive allosteric modulation of human mGluR5 expressed in CHO-K1 cells
50032032	5	ChEMBL_644984 (CHEMBL1211433)	Agonist activity at human mGluR5 expressed in CHO-K1 cells in absence of glutamate
50032032	6	ChEMBL_644985 (CHEMBL1211434)	Positive allosteric modulation of rat mGluR4 expressed in CHO-K1 cells
50032032	7	ChEMBL_644986 (CHEMBL1211435)	Negative allosteric modulation of rat mGluR5 expressed in CHO-K1 cells
50032033	1	ChEMBL_645015 (CHEMBL1211464)	Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain membrane
50048548	2	ChEMBL_89793 (CHEMBL698511)	Inhibitory activity against Inosine-5'-monophosphate dehydrogenase
50013220	6	ChEMBL_34574 (CHEMBL872367)	Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]prazosin
50013220	5	ChEMBL_216961 (CHEMBL822779)	Binding affinity towards alpha receptor in rat brain using [3H]prazosin as radioligand
50032035	1	ChEMBL_645041 (CHEMBL1211490)	Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cells
50032036	1	ChEMBL_645042 (CHEMBL1211491)	Inhibition of MK2 assessed as inhibition of [33P]ATP incorporation in to substrate after 30 mins by scintillation counting
50032036	2	ChEMBL_645050 (CHEMBL1211556)	Competitive inhibition of MK2 ATP-binding site
50032036	3	ChEMBL_645051 (CHEMBL1211557)	Uncompetitive inhibition of MK2 ATP-binding site
50032036	4	ChEMBL_645055 (CHEMBL1211561)	Noncompetitive inhibition of MK2 ATP-binding site
50032036	5	ChEMBL_645056 (CHEMBL1211562)	Mixed inhibition of MK2 ATP-binding site
50013258	18	ChEMBL_160611 (CHEMBL764582)	Inhibition of Protein kinase C beta 2
50048549	1	ChEMBL_87711 (CHEMBL697495)	Inhibitory activity against histone deacetylase (HDAC)
50048550	1	ChEMBL_33887 (CHEMBL643759)	Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor
50048550	2	ChEMBL_34616 (CHEMBL645574)	Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor
50048550	3	ChEMBL_32602 (CHEMBL642129)	Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor
50048551	1	ChEMBL_87404 (CHEMBL693168)	Inhibitory activity was tested against histone deacetylase (HDAC).
50032039	5	ChEMBL_648982 (CHEMBL1218680)	Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 10 uM acetylcholine-induced calcium mobilization after 1 hr by fluorescence assay
50032039	7	ChEMBL_648978 (CHEMBL1218676)	Allosteric activation of rat recombinant muscarinic M4 receptor expressed in CHO cells assessed as potentiation of 15 nM acetylcholine-induced calcium mobilization after 1 hr by fluorescence assay
50032040	1	ChEMBL_648278 (CHEMBL1218573)	Inhibition of human O-GlcNAcase
50032041	1	ChEMBL_648306 (CHEMBL1218601)	Inhibition of FAAH
50032042	1	ChEMBL_648529 (CHEMBL1220906)	Binding affinity to N-terminal Shh by surface plasmon resonance assay
50032043	1	ChEMBL_648755 (CHEMBL666782)	Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imaging
50032044	1	ChEMBL_648799 (CHEMBL1220638)	Binding affinity to ERbeta receptor in mouse COS7 cells by competitive binding assay
50032044	2	ChEMBL_648798 (CHEMBL1220637)	Binding affinity to ERalpha receptor in mouse COS7 cells by competitive binding assay
50032044	3	ChEMBL_648800 (CHEMBL1220639)	Antagonist activity at GPR30 in human SKBr3 cells assessed as inhibition of calcium mobilization
50032045	1	ChEMBL_649076 (CHEMBL1218774)	Inhibition of LOX5 in human whole blood assessed as inhibition of conversion of arachidonic acid to leukotriene
50032045	2	ChEMBL_649073 (CHEMBL1218771)	Binding affinity to human ERalpha ligand binding domain expressed in Escherichia coli BL21(DE3) cells assessed as recruitment of fluorescently labeled nuclear coactivator Scr1 after 1 hr by fluorescence polarization assay
50032045	3	ChEMBL_649075 (CHEMBL1218773)	Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)
50032045	4	ChEMBL_649074 (CHEMBL1218772)	Binding affinity to human ERbeta ligand binding domain expressed in Escherichia coli BL21(DE3) cells assessed as recruitment of fluorescently labeled nuclear coactivator Scr1 after 1 hr by fluorescence polarization assay
50032046	1	ChEMBL_645149 (CHEMBL1218365)	Binding affinity to human PNP
50032047	1	ChEMBL_645182 (CHEMBL1218398)	Agonist activity at rat recombinant IP3R1 expressed in chicken DT40 cells assessed as calcium release from intracellular stores
50032047	2	ChEMBL_645183 (CHEMBL1218399)	Displacement of [3H]IP3 from full-length rat recombinant IP3R1 expressed in chicken DT40 cells by equilibrium competitive binding assay
50032047	3	ChEMBL_645185 (CHEMBL1218401)	Displacement of [3H]IP3 from rat recombinant N-terminal IP3R1 (1-604) expressed in chicken DT40 cells by equilibrium competitive binding assay
50032047	4	ChEMBL_645186 (CHEMBL1218402)	Displacement of [3H]IP3 from rat recombinant IP3R1 binding core residue (224-604) expressed in chicken DT40 cells by equilibrium competitive binding assay
50032048	1	ChEMBL_645216 (CHEMBL1216020)	Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay
50032048	2	ChEMBL_647727 (CHEMBL1220324)	Binding affinity to human cyclophilin 18 assessed as reduction in calcineurin activity
50032048	3	ChEMBL_647726 (CHEMBL1220323)	Binding affinity to human cyclophilin 18
50032048	4	ChEMBL_645220 (CHEMBL1216024)	Binding affinity to cyclophilin 18 assessed as reduction in [33P]phosphatase activity of calcineurin by protease coupled assay
50032048	5	ChEMBL_645217 (CHEMBL1216021)	Binding affinity to cyclophilin 18 assessed as reduction in calcineurin activity by protease coupled assay
50032048	6	ChEMBL_647721 (CHEMBL1220318)	Binding affinity to streptavidin-coupled biotin-labeled cyclophilin 18 assessed as reduction in [33P] phosphatase activity of calcineurin by protease coupled assay
50032048	7	ChEMBL_647717 (CHEMBL1220314)	Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay
50032048	8	ChEMBL_647718 (CHEMBL1220315)	Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporter gene assay
50032048	9	ChEMBL_647729 (CHEMBL1220326)	Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells by luciferase reporter gene assay
50032048	10	ChEMBL_647730 (CHEMBL1220327)	Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporter gene assay
50032049	1	ChEMBL_649131 (CHEMBL1218829)	Inhibition of bovine coagulation factor 10a by spectrophotometry
50032050	1	ChEMBL_645841 (CHEMBL1218087)	Inhibition of carbapenem-resistant Klebsiella pneumoniae carbepenem-hydrolyzing beta-lactamase KPC-1
50032051	1	ChEMBL_646079 (CHEMBL1216220)	Inhibition of human recombinant CYP3A4 after 30 mins
50032051	2	ChEMBL_646080 (CHEMBL1216221)	Inhibition of human recombinant CYP2C19 after 30 mins
50032051	3	ChEMBL_646081 (CHEMBL1216222)	Inhibition of human recombinant CYP2C9 after 30 mins
50032051	4	ChEMBL_646082 (CHEMBL1216223)	Inhibition of human recombinant CYP1A2 after 30 mins
50032051	5	ChEMBL_646083 (CHEMBL1216224)	Inhibition of human recombinant CYP2D6 after 30 mins
50032051	6	ChEMBL_646200 (CHEMBL1216341)	Inhibition of calcineurin phosphatase activity of CyPA
50032052	1	ChEMBL_646760 (CHEMBL1216901)	Inhibition of wild type TTR amyloidogenesis assessed as inhibition of fibril formation after 72 hrs at pH 4.4 by spectrophotometry relative to untreated control
50032053	1	ChEMBL_646799 (CHEMBL1216940)	Inhibition of p110alpha
50032053	2	ChEMBL_646800 (CHEMBL1216941)	Inhibition of p110beta
50032053	3	ChEMBL_646801 (CHEMBL1216942)	Inhibition of p110gamma
50032053	4	ChEMBL_646802 (CHEMBL1216943)	Inhibition of p110delta
50032054	1	ChEMBL_646893 (CHEMBL1217034)	Binding affinity to GluR1
50032054	2	ChEMBL_646894 (CHEMBL1217035)	Binding affinity to GluR2
50032054	3	ChEMBL_646895 (CHEMBL1217036)	Binding affinity to GluR3
50032054	4	ChEMBL_646896 (CHEMBL1217037)	Binding affinity to GluR4
50032054	5	ChEMBL_646897 (CHEMBL1217038)	Binding affinity to GluR5
50032054	6	ChEMBL_646898 (CHEMBL1217039)	Binding affinity to GluR6
50032054	7	ChEMBL_646899 (CHEMBL1217040)	Binding affinity to GluR7
50013268	3	ChEMBL_99795 (CHEMBL874174)	Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation
50032055	2	ChEMBL_646921 (CHEMBL1217062)	Inhibition of AChE
50032056	1	ChEMBL_646946 (CHEMBL1217087)	Inhibition of Plasmodium falciparum plasmepsin-2
50032057	1	ChEMBL_646963 (CHEMBL1217104)	Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method
50032057	2	ChEMBL_646964 (CHEMBL1217105)	Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method
50032057	3	ChEMBL_646965 (CHEMBL1217106)	Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method
50032057	4	ChEMBL_646953 (CHEMBL1217094)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method
50032057	5	ChEMBL_646954 (CHEMBL1217095)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method
50032057	6	ChEMBL_646955 (CHEMBL1217096)	Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method
50032057	7	ChEMBL_646956 (CHEMBL1217097)	Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method
50032057	8	ChEMBL_646957 (CHEMBL1217098)	Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method
50032057	9	ChEMBL_646958 (CHEMBL1217099)	Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method
50032057	10	ChEMBL_646959 (CHEMBL1217100)	Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method
50032057	11	ChEMBL_646960 (CHEMBL1217101)	Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method
50032057	12	ChEMBL_646961 (CHEMBL1217102)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method
50032057	13	ChEMBL_646962 (CHEMBL1217103)	Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method
50032058	1	ChEMBL_646966 (CHEMBL1217107)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain
50032058	2	ChEMBL_646967 (CHEMBL1217108)	Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in HEK293 cell membranes
50032058	3	ChEMBL_646968 (CHEMBL1217109)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cell membranes
50032059	1	ChEMBL_646991 (CHEMBL1217132)	Inhibition of human kinesin Eg5
50013271	3	ChEMBL_99630 (CHEMBL707544)	Percent agonistic activity for estrogen-induced pS2 expression in MCF-7 cells
50013309	4	ChEMBL_48366 (CHEMBL661682)	Inhibitory activity against recombinant human cathepsin L activity
50013309	5	ChEMBL_45551 (CHEMBL656681)	Inhibitory activity against recombinant human cathepsin K activity using fluorescence assay
50032061	1	ChEMBL_647042 (CHEMBL1217183)	Inhibition of c-Abl
50032062	1	ChEMBL_647264 (CHEMBL1217470)	Displacement of biotin-labeled geldanamycin from N-terminal His-tagged human recombinant HSP90alpha expressed in Escherichia coli
50013317	6	ChEMBL_212917 (CHEMBL819943)	In vitro inhibition of TNF-alpha converting enzyme.
50035303	17	ChEMBL_66056 (CHEMBL679024)	Inhibition of antagonist activity towards estrogen(hER) receptor
50013333	5	ChEMBL_83801 (CHEMBL692577)	Binding affinity towards cloned human H3L receptor
50013333	6	ChEMBL_87057 (CHEMBL697959)	Binding affinity towards rat cortical Histamine H3 receptor
50013333	7	ChEMBL_83650 (CHEMBL693110)	Compound was tested for its binding affinity towards human H3L receptor
50013333	4	ChEMBL_83802 (CHEMBL692578)	Compound was tested for its binding affinity towards rat cortical Histamine H3L receptor
50032064	3	ChEMBL_647518 (CHEMBL1217458)	Binding affinity to G9a by isothermal titration colorimetry
50032064	7	ChEMBL_647520 (CHEMBL1217460)	Activity at methyl transferase activity SET7/9 by enzyme coupled S-adenocylehomocystein detection assay
50035306	5	ChEMBL_70937 (CHEMBL683918)	Inhibition of Dexamethasone stimulated transcriptional activity in CHO cells expressing glucocorticoid receptor
50013387	4	ChEMBL_208869 (CHEMBL808335)	Inhibitory activity against Thrombin
50035308	5	ChEMBL_106195 (CHEMBL714613)	Intracellular levels of cAMP in HEK 293 cells expressing human melanocortin 4 receptor (hMC4R)
50035308	6	ChEMBL_105860 (CHEMBL872797)	Binding affinity towards mouse Melanocortin 1 receptor (mMC1R) using [125I]NDP-alpha-MSH as radioligand
50035308	7	ChEMBL_106007 (CHEMBL716363)	Binding affinity towards human melanocortin 3 receptor (hMC3R) using [125I]NDP-alpha-MSH as radioligand
50035309	6	ChEMBL_156019 (CHEMBL764111)	Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung
50035309	8	ChEMBL_155383 (CHEMBL760836)	Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina
50035309	9	ChEMBL_156781 (CHEMBL756945)	Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung
50035309	7	ChEMBL_156459 (CHEMBL764837)	Inhibitory activity against phosphodiesterase-3 (PDE3) isolated from canine heart
50032065	4	ChEMBL_647319 (CHEMBL1217644)	Inhibition of MAOA
50032065	5	ChEMBL_647525 (CHEMBL1217572)	Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation
50032065	6	ChEMBL_647318 (CHEMBL1217643)	Inhibition of human hERG
50032066	1	ChEMBL_647382 (CHEMBL1217543)	Inhibition of human MAOA by fluorimetry
50032066	2	ChEMBL_647383 (CHEMBL1217544)	Inhibition of human MAOB by fluorimetry
50032067	2	ChEMBL_647568 (CHEMBL1217615)	Displacement of [3H]substance P frome rat NK2 receptor
50032067	3	ChEMBL_647569 (CHEMBL1217616)	Displacement of [3H]substance P frome human NK1 receptor
50032067	7	ChEMBL_647576 (CHEMBL1217623)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50032067	8	ChEMBL_647577 (CHEMBL1217624)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50032067	6	ChEMBL_647570 (CHEMBL1217617)	Displacement of [3H]DPDPE from rat mu opioid receptor
50032068	1	ChEMBL_647603 (CHEMBL1219954)	Inhibition of human matriptase by FRET assay
50048552	1	ChEMBL_155016 (CHEMBL764553)	Inhibition of rolipram binding to phosphodiesterase 4
50048552	2	ChEMBL_155002 (CHEMBL764539)	Inhibition of phosphodiesterase 4
50048553	1	ChEMBL_157378 (CHEMBL763643)	Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate
50048553	2	ChEMBL_157228 (CHEMBL769552)	Inhibitory activity against purified rat liver phosphodiesterase 4
50048554	1	ChEMBL_75718 (CHEMBL687373)	Inhibitory activity against quinolone resistant gyrase in Escherichia coli
50048554	2	ChEMBL_75719 (CHEMBL687374)	Inhibitory activity against wild type gyrase in Escherichia coli
50048554	3	ChEMBL_54376 (CHEMBL666726)	Inhibitory activity against mammalian DNA topoisomerase II
50013405	8	ChEMBL_162533 (CHEMBL767437)	Inhibitory activity against protein kinase C.
50013405	7	ChEMBL_161889 (CHEMBL772598)	Inhibitory activity against protein kinase A.
50032071	1	ChEMBL_647638 (CHEMBL1219989)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain cortex membranes
50032071	2	ChEMBL_647639 (CHEMBL1219990)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrometry analysis
50032072	1	ChEMBL_647642 (CHEMBL1219993)	Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting
50032073	1	ChEMBL_647651 (CHEMBL1220002)	Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay
50032073	2	ChEMBL_647650 (CHEMBL1220001)	Inhibition of human recombinant full-length GST-tagged B-Raf by radiometric kinase assay
50032073	3	ChEMBL_647147 (CHEMBL1217288)	Inhibition of human recombinant full-length N-terminal GST-tagged p38alpha expressed in Escherichia coli by radiometric kinase assay
50032074	1	ChEMBL_647167 (CHEMBL1217308)	Inhibition of wild type human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) after 15 mins by CO2 hydration method
50032074	2	ChEMBL_647169 (CHEMBL1217310)	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method
50032075	1	ChEMBL_647203 (CHEMBL1217344)	Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting
50032076	1	ChEMBL_647214 (CHEMBL1217355)	Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis
50032077	2	ChEMBL_647223 (CHEMBL1217364)	Inhibition of MMP2 after 30 mins
50032078	1	ChEMBL_647226 (CHEMBL1217367)	Displacement of [3H]ketanserin from human recombinant 5HT2A expressed in CHOK1 cells
50032078	2	ChEMBL_647227 (CHEMBL1217368)	Displacement of [3H]mesulergine from human recombinant 5HT2C expressed in CHOK1 cells
50032078	3	ChEMBL_647228 (CHEMBL1217369)	Displacement of [3H]imipramine from human SERT expressed in HEK293 cells
50032078	4	ChEMBL_647229 (CHEMBL1217370)	Displacement of [3H] astemizole from human recombinant ERG channel expressed in HEK293 cells
50032079	1	ChEMBL_647232 (CHEMBL1217373)	Inhibition of human SGLT2
50032080	1	ChEMBL_647233 (CHEMBL1217374)	Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50032080	2	ChEMBL_647234 (CHEMBL1217375)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50032080	3	ChEMBL_647236 (CHEMBL1217377)	Agonist activity at delta opioid receptor in mouse vas deference
50032080	4	ChEMBL_647387 (CHEMBL1217548)	Agonist activity at mu opioid receptor in Hartley guinea pig small intestine
50032081	1	ChEMBL_647410 (CHEMBL1217571)	Inhibition of mashroom tyrosinase
50032081	2	ChEMBL_647411 (CHEMBL1217685)	Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA
50032082	1	ChEMBL_649478 (CHEMBL1219176)	Inhibition of human recombinant histone deacetylase PCAF by ELISA
50032083	1	ChEMBL_649482 (CHEMBL1219180)	Activation of Gal4-tagged human PPARgamma expressed in CHO cells by luciferase reporter gene assay
50032084	1	ChEMBL_649485 (CHEMBL1219183)	Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method
50032084	2	ChEMBL_649486 (CHEMBL1219184)	Inhibition of equine serum BuChE after 10 mins by Ellman's method
50032084	3	ChEMBL_649487 (CHEMBL1219185)	Non competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burke plot analysis
50032084	4	ChEMBL_649489 (CHEMBL1219187)	Binding affinity to Electrophorus electricus AChE peripheral anionic site
50032084	5	ChEMBL_649488 (CHEMBL1219186)	Competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burke plot analysis
50032085	1	ChEMBL_649503 (CHEMBL1219201)	Inhibition of dopamine D2 receptor
50032085	2	ChEMBL_649504 (CHEMBL1219202)	Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method
50032085	3	ChEMBL_649499 (CHEMBL1219197)	Inhibition of T-type Cav3.1 channel
50032085	4	ChEMBL_649500 (CHEMBL1219198)	Inhibition of T-type Cav3.2 channel
50032085	5	ChEMBL_649501 (CHEMBL1219199)	Inhibition of T-type Cav3.3 channel
50032086	1	ChEMBL_649647 (CHEMBL1219345)	Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate
50032086	2	ChEMBL_649646 (CHEMBL1219344)	Binding affinity to dopamine D2
50032086	3	ChEMBL_649644 (CHEMBL1219342)	Binding affinity to 5HT1A
50032086	4	ChEMBL_649643 (CHEMBL1219341)	Binding affinity to 5HT2B
50032087	1	ChEMBL_649680 (CHEMBL1219378)	Inhibition of sheep 6PGDH
50032088	1	ChEMBL_649691 (CHEMBL1219389)	Inhibition of 5-lipoxygenase
50032089	1	ChEMBL_649695 (CHEMBL1219393)	Inhibition of Serratia marcescens chitinase B
50032090	1	ChEMBL_649854 (CHEMBL1219552)	Inhibition of Plasmodium falciparum HDAC1
50032090	2	ChEMBL_649840 (CHEMBL1219538)	Inhibition of HDAC8
50032090	3	ChEMBL_649842 (CHEMBL1219540)	Inhibition of HDAC6
50032091	1	ChEMBL_649862 (CHEMBL1219560)	Displacement of fluorescent labeled ES2 from recombinant ERalpha
50048555	1	ChEMBL_157196 (CHEMBL768609)	Inhibitory concentration against phosphodiesterase 4.
50048555	2	ChEMBL_157045 (CHEMBL765688)	In vitro inhibitory concentration against phosphodiesterase 4.
50048556	1	ChEMBL_212282 (CHEMBL819149)	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase
50048556	2	ChEMBL_212271 (CHEMBL816295)	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase
50048556	3	ChEMBL_212278 (CHEMBL816141)	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase
50048556	4	ChEMBL_212272 (CHEMBL816135)	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase
50013487	2	ChEMBL_44674 (CHEMBL656547)	Inhibition of binding of [125I]IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes
50013511	2	ChEMBL_143492 (CHEMBL755948)	Inhibitory concentration against hepatitis C virus (HCV) NS3 protease
50013868	2	ChEMBL_208264 (CHEMBL813224)	Inhibitory activity against translocase I
50032094	1	ChEMBL_649987 (CHEMBL1219685)	Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting
50032094	2	ChEMBL_649989 (CHEMBL1219687)	Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting
50032094	3	ChEMBL_649988 (CHEMBL1219686)	Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting
50032095	1	ChEMBL_650022 (CHEMBL1219720)	Inhibition of recombinant aurora A
50032095	3	ChEMBL_650085 (CHEMBL1219783)	Inhibition of c-Kit by radiometric method
50032095	4	ChEMBL_650087 (CHEMBL1219785)	Inhibition of PDGFRbeta by radiometric method
50032095	5	ChEMBL_650088 (CHEMBL1219786)	Inhibition of CSF1R by radiometric method
50048557	1	ChEMBL_208267 (CHEMBL813227)	Inhibitory concentration against translocase-I
50048557	2	ChEMBL_208265 (CHEMBL813225)	Inhibitory concentration required against Translocase I
50032096	3	ChEMBL_650154 (CHEMBL1219852)	Inhibition of beta-1 adrenoceptor ( assessed as residual activity at 1 uM )
50032096	4	ChEMBL_650125 (CHEMBL1219823)	Inhibition of PKCdelta by TR-FRET assay
50013871	3	ChEMBL_104382 (CHEMBL715843)	Inhibition of human matrix metalloprotease-2
50013871	4	ChEMBL_104721 (CHEMBL710131)	Inhibition of human matrix metalloprotease-3
50013885	11	ChEMBL_33241 (CHEMBL643521)	Binding affinity towards cloned human Alpha-1 adrenergic receptor was determined
50013885	10	ChEMBL_33321 (CHEMBL645616)	Binding affinity towards cloned human Alpha-2 adrenergic receptor was determined
50013885	12	ChEMBL_60679 (CHEMBL674050)	Binding affinity to recombinant human dopamine receptor D4
50013581	11	ChEMBL_161894 (CHEMBL772603)	Inhibition of Protein kinase A
50013590	5	ChEMBL_99373 (CHEMBL709033)	Inhibition of MEK1 phosphorylation in LoVo cells
50013590	9	ChEMBL_124004 (CHEMBL734032)	Inhibitory concentration against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay
50035325	3	ChEMBL_208218 (CHEMBL816154)	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis
50032097	3	ChEMBL_650175 (CHEMBL1219873)	Inhibition of PKD2 by TR-FRET assay
50048558	1	ChEMBL_27394 (CHEMBL644937)	Inhibitory activity against Acid sphingomyelinase
50048558	2	ChEMBL_144779 (CHEMBL751444)	Inhibitory activity against NSMase (neutral sphingomyelinase)
50032097	4	ChEMBL_650195 (CHEMBL1219893)	Inhibition of beta-1 adrenoceptor
50013611	6	ChEMBL_34218 (CHEMBL648428)	Binding affinity towards Alpha-2 adrenergic receptor was measured through displacement of [3H]-RX-821002
50013611	5	ChEMBL_34446 (CHEMBL651978)	Binding affinity towards Alpha-1 adrenergic receptor was measured through displacement of [3H]prazosin
50013611	7	ChEMBL_141033 (CHEMBL749387)	Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2A in rat
50048559	1	ChEBML_87403	Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemia cells.
50048559	2	ChEMBL_87403 (CHEMBL693167)	Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemia cells.
50035327	7	ChEMBL_153546 (CHEMBL766087)	Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)
50032098	3	ChEMBL_650207 (CHEMBL1219905)	Inhibition of MDR1 expressed in MDCK cells assessed as calcein AM accumulation by fluorescence assay
50012741	6	ChEMBL_34577 (CHEMBL882498)	Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin
50035329	3	ChEMBL_64988 (CHEMBL675573)	Inhibitory concentration tested against bovine endothelial nitric oxide synthase (eNOS)
50035329	4	ChEMBL_143215 (CHEMBL752383)	Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum
50048560	1	ChEMBL_32751 (CHEMBL645210)	Affinity for Alpha-2 adrenergic receptor of rat cortical membranes
50048560	2	ChEMBL_3765 (CHEMBL857990)	Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes
50048560	3	ChEMBL_33138 (CHEMBL642093)	Affinity for Alpha-1 adrenergic receptor of rat cortical membranes
50032099	2	ChEMBL_650211 (CHEMBL1219909)	Antagonist activity at rat recombinant NR1-NR2A receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp electrophysiology
50032099	3	ChEMBL_650213 (CHEMBL1219911)	Antagonist activity at rat recombinant NR1-NR2B receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp electrophysiology
50032099	4	ChEMBL_650214 (CHEMBL1219912)	Antagonist activity at rat recombinant NR1-NR2C receptor expressed in Xenopus oocytes at holding potential of -40mV by two-electrode voltage-clamp electrophysiology
50048561	1	ChEMBL_124320 (CHEMBL732628)	Inhibitory activity against mouse Mitogen-activated protein kinase p38
50048561	2	ChEMBL_90050 (CHEMBL701921)	Inhibition of LPS-induced release of TNF-alpha from human whole blood
50048561	3	ChEMBL_206496 (CHEMBL807827)	Anti human TNF-alpha activity determined through TNF-alpha release was measured in the supernatants by ELISA
50032099	5	ChEMBL_650216 (CHEMBL1219914)	Antagonist activity at rat recombinant GLuR1 expressed in Xenopus oocytes assessed as inhibition of glutamate-induced current by two-electrode voltage-clamp electrophysiology
50032100	1	ChEMBL_650244 (CHEMBL1219942)	Displacement of FITC-labeled Bak-BH3 peptide from Bcl-XL after 1 hr by fluorescence polarization assay
50032101	1	ChEMBL_649222 (CHEMBL1218920)	Inhibition of human recombinant matriptase catalytic domain expressed in HEK293 cells after 20 mins
50032101	2	ChEMBL_649223 (CHEMBL1218921)	Inhibition of human thrombin
50032102	1	ChEMBL_649226 (CHEMBL1218924)	Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay
50032103	1	ChEMBL_649271 (CHEMBL1218969)	Inhibition of human Beta-1,4-galactosyltransferase 1
50032103	2	ChEMBL_649270 (CHEMBL1218968)	Inhibition of rat recombinant alpha 2,3-(N)-sialyltransferase 3
50032104	1	ChEMBL_649272 (CHEMBL1218970)	Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage
50032104	2	ChEMBL_649273 (CHEMBL1218971)	Inhibition of human DPP8
50032104	3	ChEMBL_649274 (CHEMBL1218972)	Inhibition of human DPP9
50032105	2	ChEMBL_649376 (CHEMBL1219074)	Inhibition of recombinant His-tagged JMJD2C expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by formaldehyde dehydrogenase-coupled assay
50032105	3	ChEMBL_649378 (CHEMBL1219076)	Inhibition of human recombinant PHD1 expressed in Sf9 cells by time-resolved fluorescence assay
50032105	4	ChEMBL_649379 (CHEMBL1219077)	Inhibition of human recombinant PHD2 expressed in Sf9 cells by time-resolved fluorescence assay
50032106	1	ChEMBL_649390 (CHEMBL1219088)	Inhibition of rat brain KAT2
50032106	2	ChEMBL_649392 (CHEMBL1219090)	Inhibition of KAT1 in human prefrontal cortex homogenates
50032106	3	ChEMBL_649393 (CHEMBL1219091)	Inhibition of human recombinant MBP-KAT1 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr
50032107	1	ChEMBL_649396 (CHEMBL1219094)	Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting
50032107	2	ChEMBL_649427 (CHEMBL1219125)	Binding affinity to dog 5HT2A receptor
50032107	3	ChEMBL_649428 (CHEMBL1219126)	Binding affinity to rat 5HT2A receptor
50032107	4	ChEMBL_649397 (CHEMBL1219095)	Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting
50032107	5	ChEMBL_649407 (CHEMBL1219105)	Inhibition of human ERG by patch clamp electrophysiology assay
50032108	3	ChEMBL_649557 (CHEMBL1219255)	Inhibition of ROCK1
50032108	4	ChEMBL_649558 (CHEMBL1219256)	Inhibition of MRCKalpha
50012759	13	ChEMBL_34134 (CHEMBL644128)	Inhibitory concentration required against alpha-1 adrenergic receptor in rat cortex using [3H]-WB- 4101
50012759	14	ChEMBL_34063 (CHEMBL643920)	Inhibitory concentration required against Alpha-2 adrenergic receptor in rat cortex [3H]clonidine
50012759	15	ChEMBL_1936 (CHEMBL617244)	Inhibitory concentration required against 5-hydroxytryptamine 2 receptor in rat cortex using [3H]spiperone
50012759	12	ChEMBL_216002 (CHEMBL820505)	Inhibitory concentration required against alpha-1 adrenergic receptor in rat cortex using [3H]-WB- 4101
50048562	1	ChEMBL_50962 (CHEMBL666044)	Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.
50041062	2	ChEMBL_385 (CHEMBL615438)	Antiviral activity against human rhinovirus-14 (HRV-14) 3C protease using enzyme assay
50035333	4	ChEMBL_201989 (CHEMBL809434)	Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian
50035333	5	ChEMBL_142643 (CHEMBL747094)	Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region
50035333	6	ChEMBL_62496 (CHEMBL677553)	Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatum
50035334	2	ChEMBL_41923 (CHEMBL650505)	Compound was tested for its ability to inhibit C-C chemokine receptor type 3 receptor
50035335	2	ChEMBL_51918 (CHEMBL666748)	Inhibition of Cytochrome P450 3A4 with midazolam (4-OH)
50035336	2	ChEMBL_208390 (CHEMBL815499)	Inhibitory activity against human thymidine phosphorylase
50013765	3	ChEMBL_211685 (CHEMBL819856)	Ability to inhibit the binding of [3H]colchicine to porcine tubulin
50013769	5	ChEMBL_60534 (CHEMBL674342)	Cataleptogenic effect against cloned human Dopamine receptor D2 in male Sprague-Dawley rats in a bar test
50013769	7	ChEMBL_60847 (CHEMBL675989)	Cataleptogenic effect against cloned human dopamine receptor D4 in male Sprague-Dawley rats in a bar test
50013769	4	ChEMBL_62590 (CHEMBL673118)	Cataleptogenic effect against cloned human Dopamine receptor D3 in male Sprague-Dawley rats in a bar test
50032108	5	ChEMBL_649559 (CHEMBL1219257)	Inhibition of JNK3
50032109	1	ChEMBL_649579 (CHEMBL1219277)	Inhibition of human CYP17 expressed in Escherichia coli
50013769	6	ChEMBL_60848 (CHEMBL675990)	Cataleptogenic effect against cloned human dopamine receptor D4 in male Sprague-Dawley rats in a bar test
50032109	2	ChEMBL_649578 (CHEMBL1219276)	Inhibition of human CYP11B1 expressed in hamster fibroblast
50032109	3	ChEMBL_649575 (CHEMBL1219273)	Inhibition of human CYP11B2 expressed in hamster fibroblast
50032109	4	ChEMBL_649577 (CHEMBL1219275)	Inhibition of human placental CYP19
50032109	5	ChEMBL_649576 (CHEMBL1219274)	Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect microsome
50032110	1	ChEMBL_649602 (CHEMBL1219300)	Displacement of [3H](+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting
50032111	1	ChEMBL_649615 (CHEMBL1219313)	Agonist activity at RXRalpha in HEK293 cells assessed as transcriptional activation after 48 hrs by luciferase reporter gene assay
50013769	8	ChEMBL_60234 (CHEMBL671416)	In vitro ability to inhibit the binding of [3H]spiperone to cloned human Dopamine receptor D2 using apomorphine induced climbing test in male Swiss mice
50013769	9	ChEMBL_60694 (CHEMBL676504)	In vitro ability to inhibit the binding of [3H]spiperone to cloned human dopamine receptor D4 using apomorphine induced climbing test in male Swiss mice
50013774	9	ChEMBL_59722 (CHEMBL672964)	Ability to inhibit the binding of human DP receptor to PGD-2
50048563	1	ChEMBL_87402 (CHEMBL693166)	Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells
50048564	1	ChEMBL_87399 (CHEMBL694957)	In vitro inhibition of Histone deacetylase in K 562 erythroleukemia cells.
50048564	2	ChEMBL_87400 (CHEMBL872949)	Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells (Radioactivity based HDAC assay)
50048564	3	ChEMBL_87401 (CHEMBL694958)	Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells
50032113	1	ChEMBL_649756 (CHEMBL1219454)	Inhibition of recombinant PSGL-1 by surface plasmon resonance assay
50032113	2	ChEMBL_649918 (CHEMBL1219616)	Inhibition of P-selectin in human HL-60 cells
50032115	1	ChEMBL_653651 (CHEMBL1226857)	Displacement of [3H]PDBu from human recombinant PKCdelta by competitive binding assay
50032116	1	ChEMBL_653873 (CHEMBL1228588)	Inhibition of adenylation activity of Mycobacterium tuberculosis MbtA after 30 mins by ATP-[32P]pyrophosphate exchange assay
50032117	1	ChEMBL_652924 (CHEMBL1226127)	Activation of Shh in mouse Shh Light2 cells after 30 hrs by luciferase reporter gene assay
50032117	2	ChEMBL_652931 (CHEMBL1226134)	Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy
50032119	1	ChEMBL_653105 (CHEMBL1226308)	Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS
50032119	2	ChEMBL_653106 (CHEMBL1226309)	Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS
50032119	3	ChEMBL_653107 (CHEMBL1226310)	Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS
50032119	4	ChEMBL_653116 (CHEMBL1226319)	Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry
50032120	1	ChEMBL_653323 (CHEMBL1226526)	Inhibition of VEGFR2
50032120	2	ChEMBL_653324 (CHEMBL1226527)	Inhibition of PDGFRbeta
50032121	1	ChEMBL_653383 (CHEMBL1226586)	Inhibition of ataxia telangiectasia-mutated
50032121	2	ChEMBL_653502 (CHEMBL1226705)	Inhibition of Rad3-related (ATR) protein-mediated p53 phosphorylation
50032122	1	ChEMBL_653532 (CHEMBL1226735)	Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
50032122	2	ChEMBL_653533 (CHEMBL1226736)	Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
50032123	1	ChEMBL_650320 (CHEMBL1224978)	Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry
50032124	1	ChEMBL_650324 (CHEMBL1224982)	Inhibition of rabbit GAPDH glycolytic activity
50032124	2	ChEMBL_650326 (CHEMBL1224984)	Inhibition of GAPDH
50032125	1	ChEMBL_650350 (CHEMBL1225066)	Inhibition of GCase assessed as 4-methylumbelliferone release assay after 30 mins by fluorimetry
50032126	1	ChEMBL_650368 (CHEMBL1225084)	Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins
50032126	2	ChEMBL_650369 (CHEMBL1225085)	Inhibition of PMA-stimulated RSK2 phosphorylation in HEK293 cells after 1 hr by Western blotting analysis
50032127	1	ChEMBL_652997 (CHEMBL1226200)	Inhibition of c-src in by radioactive phosphotransfer assay
50032127	2	ChEMBL_653001 (CHEMBL1226204)	Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay
50032127	3	ChEMBL_653005 (CHEMBL1226208)	Inhibition of human recombinant EGFR expressed in baculovirus-infected Sf9 cells by radioactive phosphotransfer assay
50032129	1	ChEMBL_653422 (CHEMBL1226625)	Displacement of radioligand from CB1 receptor in mouse brain membrane
50032129	2	ChEMBL_653421 (CHEMBL1226624)	Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins
50032129	3	ChEMBL_653616 (CHEMBL1226988)	Displacement of [3H]anandamide from FAAH in Swiss Webster mouse brain after 5 mins
50032129	4	ChEMBL_653619 (CHEMBL1226991)	Displacement of acetylcholine from AChE in Swiss Webster mouse brain after 5 mins
50013844	21	ChEMBL_221333 (CHEMBL842025)	Inhibitory activity human Lck(hLck) kinase
50013844	19	ChEMBL_70486 (CHEMBL676883)	Inhibition of FGF receptor
50013863	5	ChEMBL_70990 (CHEMBL877817)	Inhibitory activity against rat liver glycogen phosphorylase
50013863	6	ChEMBL_70986 (CHEMBL680564)	Inhibitory activity against mouse liver glycogen phosphorylase
50035340	5	ChEMBL_142800 (CHEMBL751373)	Inhibition of [3H]norepinephrine uptake in HEK cells expressing human NET
50048565	1	ChEMBL_64049 (CHEMBL677409)	Inhibitory activity of compound against VanA Enterococcus faecalis MGH-01
50013949	5	ChEMBL_212585 (CHEMBL811887)	In vitro binding affinity against porcine TACE
50035341	9	ChEMBL_203059 (CHEMBL811563)	Inhibitory constant against human steroid sulfatase in CHO cells
50048566	1	ChEMBL_87532 (CHEMBL694903)	In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract
50032131	1	ChEMBL_650626 (CHEMBL1225185)	Inhibition of human recombinant indoleamine-2,3-dioxygenase
50032132	1	ChEMBL_650712 (CHEMBL1227292)	Activation of human SirT2 protein fluorescence polarization assay
50032132	2	ChEMBL_650713 (CHEMBL1227293)	Inhibition of SirT2
50032132	4	ChEMBL_650716 (CHEMBL1227296)	Inhibition of recombinant G9a
50032132	5	ChEMBL_650718 (CHEMBL1227298)	Inhibition of Histone H3 lysine 9 of GLP methyltransferase
50032134	1	ChEMBL_650756 (CHEMBL1227516)	Inhibition of MAGL in C57B1/6J mouse brain membrane after 30 mins by using 2-AG as a substrate by LC-MS method
50032134	2	ChEMBL_650757 (CHEMBL1227517)	Inhibition of FAAH in C57B1/6J mouse brain membrane after 20 mins by using oleamide as a substrate by LC-MS method
50032134	3	ChEMBL_650749 (CHEMBL1227509)	Inhibition of MAGL in Wistar rat brain
50032134	4	ChEMBL_650758 (CHEMBL1227518)	Inhibition of recombinant MAGL expressed in Cos7 cells after 30 mins by using 2-AG as a substrate by LC-MS method
50032134	5	ChEMBL_650759 (CHEMBL1227519)	Inhibition of recombinant FAAH expressed in Cos7 cells after 30 mins by using anandamide as a substrate by LC-MS method
50013963	5	ChEMBL_71986 (CHEMBL683538)	Inhibition of Geranylgeranylprotein transferase-I catalyzed incorporation of [3H]GGPP into biotinYRASNRSCAIL peptide at 10 uM
50048567	1	ChEMBL_177578 (CHEMBL783653)	Inhibition of [Ca2+] uptake in dorsal root ganglion (DRG) neurons from neonatal Sprague-Dawley rat
50013974	40	ChEMBL_220573 (CHEMBL841854)	Binding affinity towards Imidazoline I1 receptor
50048568	1	ChEMBL_40551 (CHEMBL652181)	Inhibitor activity against Beta-lactamase, derived from the Gram negative bacteria Enterobacter cloacae at pH 7
50012814	2	ChEMBL_152712 (CHEMBL756826)	Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells
50048569	1	ChEMBL_157825 (CHEMBL769429)	In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages
50032136	1	ChEMBL_651184 (CHEMBL1227949)	Inhibition of CFTR
50032138	1	ChEMBL_651377 (CHEMBL1227350)	Inhibition of human ERG
50032138	2	ChEMBL_651388 (CHEMBL1227361)	Inhibition of factor 9a
50032138	3	ChEMBL_651390 (CHEMBL1227363)	Inhibition of factor 11a
50032138	4	ChEMBL_651370 (CHEMBL1227190)	Inhibition of thrombin
50032138	5	ChEMBL_651359 (CHEMBL1227179)	Binding affinity to factor 10a
50032138	6	ChEMBL_651365 (CHEMBL1227185)	Binding affinity to rabbit factor 10a
50032138	7	ChEMBL_651366 (CHEMBL1227186)	Binding affinity to rat factor 10a
50032138	8	ChEMBL_651369 (CHEMBL1227189)	Inhibition of tissue factor/factor 7a
50032138	10	ChEMBL_651371 (CHEMBL1227191)	Inhibition of activated protein C
50032138	11	ChEMBL_651372 (CHEMBL1227345)	Inhibition of plasmin
50032139	1	ChEMBL_651592 (CHEMBL1227975)	Inhibition of recombinant TrkA after 1 hr
50032139	2	ChEMBL_651414 (CHEMBL1227387)	Inhibition of recombinant YES after 1 hr
50032139	3	ChEMBL_651411 (CHEMBL1227384)	Inhibition of recombinant KDR after 1 hr
50032139	4	ChEMBL_651410 (CHEMBL1227383)	Inhibition of recombinant c-Abl after 1 hr
50032139	5	ChEMBL_651409 (CHEMBL1227382)	Inhibition of recombinant Pim1 after 1 hr
50032139	6	ChEMBL_651408 (CHEMBL1227381)	Inhibition of recombinant aurora A after 1 hr
50032139	7	ChEMBL_651407 (CHEMBL1227380)	Inhibition of recombinant HIPK1 after 1 hr
50032139	8	ChEMBL_651399 (CHEMBL1227372)	Inhibition of recombinant JAK2 after 1 hr
50032139	9	ChEMBL_651398 (CHEMBL1227371)	Inhibition of recombinant JAK3 after 1 hr
50032140	1	ChEMBL_651415 (CHEMBL1227388)	Inhibition of p38alpha
50032140	2	ChEMBL_651416 (CHEMBL1227389)	Binding affinity to JNK2
50032140	3	ChEMBL_651417 (CHEMBL1227390)	Binding affinity to JNK3
50032141	1	ChEMBL_651418 (CHEMBL1227391)	Inhibition of ovine COX1 by EIA
50032141	2	ChEMBL_651419 (CHEMBL1227392)	Inhibition of human recombinant COX2 by EIA
50032142	1	ChEMBL_651428 (CHEMBL1227401)	Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay
50032142	2	ChEMBL_651448 (CHEMBL1227565)	Binding affinity to LFA1
50032142	3	ChEMBL_651449 (CHEMBL1227566)	Inhibition of LFA1 by ELISA
50032142	4	ChEMBL_651442 (CHEMBL1227415)	Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell activation in presence of 10% fetal bovine serum
50032143	1	ChEMBL_651476 (CHEMBL1227593)	Displacement of [3H]CGP12177 from human beta-1 adrenoceptor
50048570	1	ChEMBL_45247 (CHEMBL658950)	Inhibition of human carbonic anhydrase II (CAII)
50048570	2	ChEMBL_45434 (CHEMBL657034)	Inhibition of bovine carbonic anhydrase IV (CAIV)
50048570	3	ChEMBL_44860 (CHEMBL858760)	Inhibition of human carbonic anhydrase I (CAI)
50032144	1	ChEMBL_651480 (CHEMBL1227597)	Inhibition of AChE by Ellman's assay
50032145	1	ChEMBL_651485 (CHEMBL1227602)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50032145	2	ChEMBL_651484 (CHEMBL1227601)	Displacement of [3H]mesulergine from human 5HT2C expressed in CHOKI cells
50032145	3	ChEMBL_651487 (CHEMBL1227604)	Displacement of [3H]ketanserin from human 5HT2A expressed in CHOKI cells
50032145	4	ChEMBL_651486 (CHEMBL1227603)	Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in CHOKI cells
50032145	5	ChEMBL_651490 (CHEMBL1227607)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHOKI cells
50032145	6	ChEMBL_651488 (CHEMBL1227605)	Displacement of [3H]LSD from human 5HT7 expressed in CHOKI cells
50032145	7	ChEMBL_651491 (CHEMBL1227608)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHOKI cells
50032145	8	ChEMBL_651489 (CHEMBL1227606)	Displacement of [3H]spiperone from human dopamine D2 expressed in CHOKI cells
50032146	1	ChEMBL_651508 (CHEMBL1227760)	Displacement of [3H]8OH-DPAT from human 5HT1A receptor after 60 mins
50032146	2	ChEMBL_651509 (CHEMBL1227761)	Displacement of [3H]MK912 from human alpha2A receptor after 60 mins
50032146	3	ChEMBL_651511 (CHEMBL1227763)	Displacement of [3H]spiperone from rat dopamine D3 receptor after 60 mins
50032146	4	ChEMBL_651512 (CHEMBL1227764)	Displacement of [3H]spiperone from human D2L receptor after 60 mins
50032147	1	ChEMBL_651516 (CHEMBL1227768)	Agonist activity at RXRalpha by luciferase reporter gene assay
50032148	3	ChEMBL_651537 (CHEMBL1227789)	Inhibition of human ERG
50032148	4	ChEMBL_651540 (CHEMBL1227792)	Inhibition of cathepsin D
50032148	5	ChEMBL_651541 (CHEMBL1227793)	Inhibition of human BACE2
50032149	1	ChEMBL_651545 (CHEMBL1227797)	Inhibition of human ICE
50032149	2	ChEMBL_651546 (CHEMBL1227798)	Inhibition of mouse ICE
50032150	1	ChEMBL_651557 (CHEMBL1227809)	Inhibition of human MAOA expressed in BTI insect cells
50032150	2	ChEMBL_651558 (CHEMBL1227810)	Inhibition of human MAOB expressed in BTI insect cells
50032151	1	ChEMBL_651565 (CHEMBL1227817)	Antagonist activity at human wild type ERalpha expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivation by luciferase reporter gene assay
50032151	2	ChEMBL_651562 (CHEMBL1227814)	Antagonist activity at human wild type ERbeta expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivation by luciferase reporter gene assay
50032151	3	ChEMBL_651579 (CHEMBL1227962)	Antagonist activity at human wild type ERbeta expressed in human HeLa cells co-expressing AP-1 assessed as inhibition of raloxifene-induced transactivation activity by luciferase reporter gene assay
50032151	4	ChEMBL_651577 (CHEMBL1227960)	Antagonist activity at human wild type ERbeta expressed in human HeLa cells co-expressing AP-1 assessed as inhibition of transactivation activity by luciferase reporter gene assay
50032152	1	ChEMBL_651582 (CHEMBL1227965)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting
50032152	2	ChEMBL_651580 (CHEMBL1227963)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting
50032153	1	ChEMBL_651587 (CHEMBL1227970)	Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage
50032155	1	ChEMBL_651609 (CHEMBL1227992)	Inhibition of human CB1 receptor expressed in CHOK1 cells by luciferase reporter gene assay
50032156	1	ChEMBL_651616 (CHEMBL1227999)	Agonist activity at human RXRalpha expressed in human COS7 cells by luciferase reporter gene assay
50032157	1	ChEMBL_651627 (CHEMBL1228010)	Antagonist activity at human histamine H3 receptor
50032157	2	ChEMBL_651628 (CHEMBL1228011)	Antagonist activity at rat histamine H3 receptor
50032157	3	ChEMBL_651629 (CHEMBL1228012)	Antagonist activity at human histamine H1 receptor
50032157	4	ChEMBL_651630 (CHEMBL1228013)	Antagonist activity at human histamine H2 receptor
50032157	5	ChEMBL_651631 (CHEMBL1228014)	Antagonist activity at human histamine H4 receptor
50032157	6	ChEMBL_651639 (CHEMBL1228177)	Inhibition of CYP2D6
50032157	7	ChEMBL_651640 (CHEMBL1228178)	Inhibition of CYP3A4
50032158	1	ChEMBL_651654 (CHEMBL1228192)	Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells assessed as potentiation of glutamate-induced calcium mobilization
50032159	1	ChEMBL_651690 (CHEMBL1228380)	Inhibition of CETP
50032159	2	ChEMBL_651691 (CHEMBL1228381)	Inhibition of PLTP
50048571	1	ChEMBL_124324 (CHEMBL732632)	Inhibition of p38 MAP kinase
50048571	2	ChEMBL_124323 (CHEMBL732631)	Inhibition of p38 kinase related TNF-alpha release
50032160	3	ChEMBL_651708 (CHEMBL1228398)	Inhibition of CHK2
50041067	3	ChEMBL_212329 (CHEMBL857532)	Inhibition constant against bovine trypsin
50032161	1	ChEMBL_651749 (CHEMBL1228439)	Inhibition of human recombinant renin in presence of pH 7.4 buffer
50032161	2	ChEMBL_651750 (CHEMBL1228440)	Inhibition of human recombinant renin in presence of plasma by immunoassay
50032161	3	ChEMBL_651755 (CHEMBL1228445)	Inhibition of CYP3A4 in human liver microsome
50032161	4	ChEMBL_651747 (CHEMBL1228437)	Inhibition of CYP3A4 in human liver microsome preincubated for 30 mins
50032162	1	ChEMBL_651797 (CHEMBL1225413)	Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay
50032162	2	ChEMBL_651798 (CHEMBL1225414)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay
50032162	3	ChEMBL_651799 (CHEMBL1225415)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay
50032163	1	ChEMBL_651802 (CHEMBL1225418)	Inhibition of electric eel AChE by Ellman's method
50032164	1	ChEMBL_651863 (CHEMBL1227228)	Inhibition of CYP1A2 in human liver microsomes after 30 mins
50032164	2	ChEMBL_651864 (CHEMBL1227229)	Inhibition of CYP2C9 in human liver microsomes after 30 mins
50032164	3	ChEMBL_652036 (CHEMBL1227846)	Inhibition of CYP2D6 in human liver microsomes after 30 mins
50032164	4	ChEMBL_651866 (CHEMBL1227231)	Inhibition of CYP3A4 in human liver microsomes after 30 mins
50032164	5	ChEMBL_651867 (CHEMBL1227232)	Inhibition of human ERG at holding potential of -80 mV to +40 mV
50032164	6	ChEMBL_651838 (CHEMBL1227203)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum after 1 hr by liquid scintillation counting
50032164	7	ChEMBL_651839 (CHEMBL1227204)	Displacement of [3H]WIN-55212-2 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting
50032165	1	ChEMBL_651931 (CHEMBL1227461)	Inhibition of ICE
50035349	9	ChEMBL_202162 (CHEMBL808865)	Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter
50035349	6	ChEMBL_62941 (CHEMBL674892)	Affinity to inhibit [3H]DA uptake
50012853	2	ChEMBL_89930 (CHEMBL699556)	Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II
50048572	1	ChEMBL_215627 (CHEMBL818740)	Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal sensory neurons using [Ca2+] -influx assay
50048572	2	ChEMBL_215489 (CHEMBL820408)	Agonistic activity towards vanilloid receptor, [Ca2+] influx in neonatal rat spinal sensory neuronal culture
50048572	3	ChEMBL_215639 (CHEMBL820957)	Agonistic activity towards vanilloid receptor, [Ca2+] influx in neonatal rat spinal sensory neuronal culture
50048572	4	ChEMBL_215487 (CHEMBL820406)	Agonistic activity towards vanilloid receptor, [Ca2+] influx in neonatal rat spinal sensory neuronal culture
50048573	1	ChEMBL_89673 (CHEMBL697166)	Inhibition of IMPDH (Inosine 5''-monophosphate dehydrogenase)from Escherichia coli B3 cells
50012970	3	ChEMBL_105151 (CHEMBL878223)	Compound tested for inhibition of Staphylococcus aureus MRS(methionyl tRNA synthetase) in aminoacylation assay
50048574	1	ChEMBL_200796 (CHEMBL808320)	Inhibitory concentration against influenza A virus sialidase A/PR/8/34
50012977	7	ChEMBL_60200 (CHEMBL672162)	Displacement of [3H]-YM 09151 from D2 receptor
50012977	2	ChEMBL_60995 (CHEMBL879551)	D4 receptor functional activity was measured inhibition of quinpirole stimulated [35S]GTP-gamma-S binding from cell membranes.
50035354	2	ChEMBL_39654 (CHEMBL650119)	Inhibition of [125I]RANTES binding to CCR5 receptor.
50032168	1	ChEMBL_651986 (CHEMBL1227659)	Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding
50032169	1	ChEMBL_652120 (CHEMBL1228229)	Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha
50032169	2	ChEMBL_652121 (CHEMBL1228230)	Inhibition of 17-alpha-hydroxylase activity of rat testicular microsomal P450-17alpha
50032170	1	ChEMBL_652122 (CHEMBL1228231)	Inhibition of MMP13
50032171	1	ChEMBL_652133 (CHEMBL1228242)	Inhibition of purified His-tagged IKK-beta after 15 mins
50032171	3	ChEMBL_652136 (CHEMBL1228245)	Inhibition of recombinant CDK2 after 15 mins
50032171	4	ChEMBL_652137 (CHEMBL1228246)	Inhibition of recombinant PDK1 after 15 mins
50032171	5	ChEMBL_652138 (CHEMBL1228247)	Inhibition of recombinant GSK3-beta after 15 mins
50032171	6	ChEMBL_652139 (CHEMBL1228248)	Inhibition of recombinant JNK3 after 15 mins
50032171	7	ChEMBL_652140 (CHEMBL1228249)	Inhibition of recombinant p38alpha after 15 mins
50012991	3	ChEMBL_155352 (CHEMBL762497)	Inhibitory activity against PDE5 from human corpus cavernosum
50032172	1	ChEMBL_652150 (CHEMBL1228259)	Agonist activity at human recombinant TPO receptor expressed in mouse BaF3 cells after 24 hrs
50032173	1	ChEMBL_652151 (CHEMBL1228260)	Inhibition of IGF1R
50032173	2	ChEMBL_652152 (CHEMBL1228261)	Inhibition of IGF1R in IGF1R-SAL cells
50048575	1	ChEMBL_88743 (CHEMBL700687)	Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors
50035356	8	ChEMBL_30018 (CHEMBL641309)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane
50012909	4	ChEMBL_33424 (CHEMBL648820)	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor
50032175	1	ChEMBL_652210 (CHEMBL1228483)	Inhibition of CYP2C9 in human liver microsomes
50032175	2	ChEMBL_652205 (CHEMBL1228478)	Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain
50032175	3	ChEMBL_652209 (CHEMBL1228482)	Inhibition of CYP2D6 in human liver microsomes
50032175	4	ChEMBL_652208 (CHEMBL1228481)	Inhibition of CYP3A4 in human liver microsomes
50032176	1	ChEMBL_652215 (CHEMBL1228488)	Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization
50032177	1	ChEMBL_652217 (CHEMBL1228490)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50032177	2	ChEMBL_652218 (CHEMBL1228491)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain
50035359	4	ChEMBL_60367 (CHEMBL672102)	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D2 long in CHO cells
50035359	9	ChEMBL_61163 (CHEMBL672290)	Effective concentration for [3H]thymidine uptake in growing CHO cells stably expressing the dopamine D4.2 receptor
50013004	12	ChEMBL_2521 (CHEMBL617254)	Binding affinity at human cloned 5-hydroxytryptamine 2A receptor.
50013004	9	ChEMBL_1030 (CHEMBL616232)	Binding affinity towards 5-hydroxytryptamine 1A receptor in human using [3H]8-OH-DPAT as radioligand
50013004	13	ChEMBL_3709 (CHEMBL618161)	Binding affinity at human cloned 5-hydroxytryptamine 7 receptor.
50013004	14	ChEMBL_1751 (CHEMBL616858)	Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor
50013004	15	ChEMBL_1375 (CHEMBL616448)	Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor was determined
50013004	19	ChEMBL_60393 (CHEMBL672229)	Binding affinity towards cloned human dopamine D2 receptor was determined
50013004	8	ChEMBL_2056 (CHEMBL616700)	Binding affinity towards cloned human 5-hydroxytryptamine 1E receptor was determined
50013004	18	ChEMBL_3644 (CHEMBL620630)	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50013004	16	ChEMBL_3586 (CHEMBL857987)	Binding affinity towards cloned human 5-HT5A receptor was determined
50013004	10	ChEMBL_62459 (CHEMBL679231)	Binding affinity towards cloned human dopamine D3 receptor was determined
50013004	6	ChEMBL_2089 (CHEMBL857977)	Binding affinity towards cloned human 5-hydroxytryptamine 1F receptor was determined
50013004	11	ChEMBL_60845 (CHEMBL675987)	Binding affinity towards cloned human dopamine D4 receptor was determined
50013004	7	ChEMBL_2881 (CHEMBL617784)	Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor was determined
50013004	17	ChEMBL_2750 (CHEMBL617511)	Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor was determined
50035366	3	ChEMBL_105279 (CHEMBL718947)	Inhibitory activity against Escherichia coli Methionyl-tRNA synthetase was determined
50035366	4	ChEMBL_88806 (CHEMBL696843)	Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined
50013011	2	ChEMBL_35111 (CHEMBL649313)	Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II
50032179	1	ChEMBL_652252 (CHEMBL1225455)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells
50032179	2	ChEMBL_652250 (CHEMBL1225453)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells
50032180	1	ChEMBL_652269 (CHEMBL1225472)	Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells
50032181	1	ChEMBL_652285 (CHEMBL1225488)	Inhibition of CYP2D6
50032181	2	ChEMBL_652287 (CHEMBL1225490)	Inhibition of human ERG
50032182	1	ChEMBL_652314 (CHEMBL1225517)	Inhibition of sheep COX1 by enzyme immunoassay
50032182	2	ChEMBL_652313 (CHEMBL1225516)	Inhibition of sheep COX2 by enzyme immunoassay
50032183	1	ChEMBL_652316 (CHEMBL1225519)	Inhibition of cathepsin B
50032183	2	ChEMBL_652318 (CHEMBL1225521)	Inhibition of cathepsin L
50032183	3	ChEMBL_652322 (CHEMBL1225525)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50032185	1	ChEMBL_652346 (CHEMBL1225549)	Displacement of [3H]Ketanserin from human 5HT2A receptor
50032185	2	ChEMBL_652347 (CHEMBL1225550)	Displacement of [3H]LSD from human 5HT2B receptor
50032185	3	ChEMBL_652348 (CHEMBL1225551)	Displacement of [3H]Mesulergine from human 5HT2C receptor
50032185	4	ChEMBL_652473 (CHEMBL1225676)	Displacement of [3H]WIN-3542 from human DAT
50032185	5	ChEMBL_652474 (CHEMBL1225677)	Displacement of [3H]Nisoxetine from human NET
50032185	6	ChEMBL_652475 (CHEMBL1225678)	Displacement of [3H]Citalopram from human SERT
50032185	7	ChEMBL_652479 (CHEMBL1225682)	Agonist activity at human 5HT2B receptor assessed as 10633-induced calcium mobilization by FLIPR assay
50032185	8	ChEMBL_652481 (CHEMBL1225684)	Agonist activity at human 5HT2C receptor assessed as 10633-induced calcium mobilization by FLIPR assay
50032186	1	ChEMBL_652514 (CHEMBL1225717)	Inhibition of human CYP1A1 by EROD assay
50032186	2	ChEMBL_652513 (CHEMBL1225716)	Inhibition of human CYP1A2 by EROD assay
50032186	3	ChEMBL_652515 (CHEMBL1225718)	Inhibition of human CYP1B1 by EROD assay
50032187	1	ChEMBL_652518 (CHEMBL1225721)	Inhibition of Clostridium perfringens neuraminidase by fluorimetry
50032187	2	ChEMBL_652516 (CHEMBL1225719)	Competitive inhibition of Clostridium perfringens neuraminidase by fluorimetry
50032188	1	ChEMBL_652812 (CHEMBL1226015)	Displacement of VCAM1 from VLA4 receptor in human U937 cells
50032189	1	ChEMBL_652569 (CHEMBL1225772)	Displacement of [125I]-MIP1-alpha from human recombinant CCR1 expressed in HEK293 cells after 4 hrs by SPA
50032189	2	ChEMBL_652570 (CHEMBL1225773)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3-induced chemotaxis after 3 hrs
50032190	1	ChEMBL_652596 (CHEMBL1225799)	Positive allosteric modulation of calcium sensing receptor by FLIPR assay in absence of extracellular calcium
50032190	2	ChEMBL_652584 (CHEMBL1225787)	Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium
50032191	1	ChEMBL_652619 (CHEMBL1225822)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50032191	2	ChEMBL_652613 (CHEMBL1225816)	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells
50032191	3	ChEMBL_652614 (CHEMBL1225817)	Displacement of [3H]prazosin from human adrenergic alpha1A receptor
50032192	1	ChEMBL_652628 (CHEMBL1225831)	Inhibition of CYP3A4
50032192	2	ChEMBL_652629 (CHEMBL1225832)	Inhibition of CYP2C9
50032192	3	ChEMBL_652630 (CHEMBL1225833)	Inhibition of CYP2D6
50032192	4	ChEMBL_652631 (CHEMBL1225834)	Induction of human PXR by induction assay
50042186	6	ChEMBL_34478 (CHEMBL651233)	Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells
50032193	2	ChEMBL_652841 (CHEMBL1226044)	Inhibition of human PDE4B
50032193	3	ChEMBL_652842 (CHEMBL1226045)	Inhibition of human PDE4C
50032193	4	ChEMBL_652843 (CHEMBL1226046)	Inhibition of human PDE4D
50032193	5	ChEMBL_652840 (CHEMBL1226043)	Inhibition of human PDE4A
50042186	8	ChEMBL_32581 (CHEMBL643419)	Effective concentration showing agonistic activity towards Human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells was determined
50032194	3	ChEMBL_652889 (CHEMBL1226092)	Inhibition of CYP2C9
50032194	4	ChEMBL_652888 (CHEMBL1226091)	Inhibition of CYP3A4
50032194	5	ChEMBL_652890 (CHEMBL1226093)	Inhibition of CYP2D6
50032195	2	ChEMBL_652920 (CHEMBL1226123)	Binding affinity to 5HT3 receptor
50032195	3	ChEMBL_652379 (CHEMBL1225582)	Binding affinity to 5HT7 receptor
50032195	4	ChEMBL_652380 (CHEMBL1225583)	Binding affinity to adrenergic alpha1A receptor
50032195	5	ChEMBL_652381 (CHEMBL1225584)	Binding affinity to adrenergic alpha2A receptor
50032195	7	ChEMBL_652383 (CHEMBL1225586)	Binding affinity to adrenergic Alpha-2C receptor
50032195	8	ChEMBL_652384 (CHEMBL1225587)	Binding affinity to adrenergic kappa opioid receptor
50032195	9	ChEMBL_652385 (CHEMBL1225588)	Binding affinity to dopamine D1 receptor
50032195	10	ChEMBL_652386 (CHEMBL1225589)	Binding affinity to dopamine D2 receptor
50032195	11	ChEMBL_652387 (CHEMBL1225590)	Binding affinity to dopamine D3 receptor
50032195	12	ChEMBL_652388 (CHEMBL1225591)	Binding affinity to dopamine D4 receptor
50032195	13	ChEMBL_652389 (CHEMBL1225592)	Binding affinity to dopamine D5 receptor
50032196	1	ChEMBL_652430 (CHEMBL1225633)	Inhibition of GDA by colorimetric assay
50032197	1	ChEMBL_652647 (CHEMBL1225850)	Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells
50032197	2	ChEMBL_652648 (CHEMBL1225851)	Displacement of [3H]AVP from rat vasopressin V3 receptor
50032197	3	ChEMBL_652650 (CHEMBL1225853)	Displacement of [3H]AVP from human vasopressin V2 receptor
50032197	4	ChEMBL_652651 (CHEMBL1225854)	Displacement of [3H]oxytocin from human oxytocin receptor
50032198	1	ChEMBL_652658 (CHEMBL1225861)	Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding
50032198	2	ChEMBL_652659 (CHEMBL1225862)	Antagonist activity at human mu opioid receptor expressed in HEK cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding
50032198	3	ChEMBL_652661 (CHEMBL1225864)	Inhibition of human ERG by electrophysiology assay
50042186	10	ChEMBL_33757 (CHEMBL650230)	Effective concentration showing agonistic activity towards Human alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells was determined
50032199	1	ChEMBL_652678 (CHEMBL1225881)	Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay
50032200	3	ChEMBL_652724 (CHEMBL1225927)	Agonist activity at human GPR109A receptor assessed as GTPgammaS binding
50032200	4	ChEMBL_652725 (CHEMBL1225928)	Displacement of radioligand from rat GPR109A
50048576	1	ChEMBL_161792 (CHEMBL768166)	Inhibitory activity against protein phosphatase (PP2A) using fluorescein diphosphate as substrate
50013068	5	ChEMBL_71792 (CHEMBL686003)	Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated peptide of C-terminal of human K-Ras
50013068	6	ChEMBL_69994 (CHEMBL682940)	Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ras CVIM
50035370	4	ChEMBL_71415 (CHEMBL685133)	Inhibitory activity against GR (glucocorticoid receptor)
50013073	1	ChEMBL_71261 (CHEMBL685255)	Inhibitory activity against glucocorticoid receptor in human lung A549 cells
50013073	7	ChEMBL_159383 (CHEMBL768816)	Inhibition of 3 nM [3H]R5020 binding to progesterone receptor in human T47D cells
50013073	12	ChEMBL_36297 (CHEMBL648257)	Effective concentration against Androgen receptor in mouse fibroblast L929 cells
50041071	13	ChEMBL_84553 (CHEMBL692988)	Binding affinity towards human histamine (H1) receptor
50041071	9	ChEMBL_86932 (CHEMBL697541)	Binding affinity towards rat cortical H3 receptor
50041071	10	ChEMBL_83795 (CHEMBL692572)	Binding affinity for human recombinant H3 receptor
50041071	16	ChEMBL_142618 (CHEMBL751156)	Binding affinity towards human UPTK-NE transporter
50032203	1	ChEMBL_654168 (CHEMBL1228974)	Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHOK1 cells by scintillation proximity assay
50032203	2	ChEMBL_654167 (CHEMBL1228973)	Antagonist activity at human recombinant MCHR1 expressed in CHOK1 cells assessed as reduction in [3H]inositol phosphate levels by scintillation proximity assay
50032204	1	ChEMBL_654318 (CHEMBL1228666)	Inhibition of human recombinant PTP1B
50032204	2	ChEMBL_654320 (CHEMBL1228668)	Inhibition of TCPTP
50041071	5	ChEMBL_138829 (CHEMBL752411)	Binding affinity towards human muscarinic M3 receptor
50032206	1	ChEMBL_660314 (CHEMBL1249810)	Inhibition of His-tagged human SAPK2b/p38b2 expressed in Escherichia coli
50032206	3	ChEMBL_660310 (CHEMBL1249806)	Inhibition of His-tagged human MAPKAPK2 expressed in Escherichia coli at 10 uM
50032206	5	ChEMBL_660308 (CHEMBL1249804)	Inhibition of His-tagged human PRK2 expressed in HEK293 cells
50041071	7	ChEMBL_201495 (CHEMBL857869)	Binding affinity towards human UPTK-Serotonin transporter
50032206	9	ChEMBL_660320 (CHEMBL1249816)	Inhibition of His-tagged human PDK1 expressed in Sf21 cells
50032206	11	ChEMBL_660318 (CHEMBL1249814)	Inhibition of His-tagged human GSK3b expressed in Sf21 cells
50032206	12	ChEMBL_660302 (CHEMBL1249798)	Inhibition of His-tagged human S6K1 expressed in Escherichia coli
50032206	13	ChEMBL_660316 (CHEMBL1249812)	Inhibition of His-tagged bovine PI3K expressed in Sf9 cells
50032206	14	ChEMBL_660315 (CHEMBL1249811)	Inhibition of chicken SmMLCK expressed in Escherichia coli
50041071	11	ChEMBL_84554 (CHEMBL692989)	Binding affinity towards human histaminergic (H1) receptor
50041071	4	ChEMBL_139887 (CHEMBL744474)	Binding affinity towards human muscarinic M2 receptor
50041071	15	ChEMBL_85660 (CHEMBL877714)	Binding affinity towards human histaminergic (H2) receptor
50041071	14	ChEMBL_138540 (CHEMBL746258)	Binding affinity towards human muscarinic M1 receptor
50041071	12	ChEMBL_87226 (CHEMBL858410)	Binding affinity towards human histaminergic (H4) receptor
50032208	1	ChEMBL_660394 (CHEMBL1249984)	Inhibition of CDK2/cyclin E
50032208	2	ChEMBL_660395 (CHEMBL1249985)	Inhibition of CDK7/cyclin H
50041071	8	ChEMBL_85659 (CHEMBL702651)	Binding affinity towards human histamine (H2) receptor
50032210	1	ChEMBL_660437 (CHEMBL1250027)	Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method
50041071	17	ChEMBL_61160 (CHEMBL672287)	Binding affinity towards human D4.2 receptor
50041071	3	ChEMBL_61682 (CHEMBL670058)	Binding affinity towards human UPTK-DA transporter
50041071	6	ChEMBL_33666 (CHEMBL649247)	Binding affinity towards human Alpha-2C adrenergic receptor
50032212	1	ChEMBL_660473 (CHEMBL1250103)	Inhibition of wild type c-Fyn
50032212	2	ChEMBL_660474 (CHEMBL1250104)	Inhibition of wild type c-Abl
50032212	3	ChEMBL_660476 (CHEMBL1250106)	Inhibition of wild type CDK2
50032213	1	ChEMBL_660503 (CHEMBL1250174)	Inhibition of human recombinant SPT1 activity in LCB1 transfected human HEK293 cells
50032213	2	ChEMBL_660504 (CHEMBL1250175)	Inhibition of human recombinant SPT2 activity in LCB2 transfected human HEK293 cells
50032216	1	ChEMBL_660971 (CHEMBL1249638)	Inhibition of unphosphorylated Abl
50048577	1	ChEMBL_156901 (CHEMBL767091)	Inhibitory activity against (PDE IV) phosphodiesterase IV in guinea pig articular tissue
50032216	3	ChEMBL_660973 (CHEMBL1249640)	Inhibition of Syk kinase
50032216	5	ChEMBL_660980 (CHEMBL1249647)	Inhibition of c-Kit
50032216	6	ChEMBL_660978 (CHEMBL1249645)	Inhibition of PDGFRbeta kinase
50032216	7	ChEMBL_660982 (CHEMBL1249649)	Inhibition of JNK2alpha2 kinase
50032216	8	ChEMBL_660985 (CHEMBL1249717)	Inhibition of Fyn kinase
50032216	9	ChEMBL_660990 (CHEMBL1249722)	Inhibition of FGFR-1 kinase
50032216	10	ChEMBL_660977 (CHEMBL1249644)	Inhibition of p38alpha kinase
50032216	11	ChEMBL_660983 (CHEMBL1249650)	Inhibition of c-Raf kinase
50032216	12	ChEMBL_660992 (CHEMBL1249724)	Inhibition of VEGFR-2 kinase
50032216	14	ChEMBL_660992 (CHEMBL1249724)	Inhibition of VEGFR-2 kinase
50032216	15	ChEMBL_660987 (CHEMBL1249719)	Inhibition of Tie2 kinase
50032216	16	ChEMBL_660988 (CHEMBL1249720)	Inhibition of PDGFRalpha kinase
50032216	17	ChEMBL_660976 (CHEMBL1249643)	Inhibition of EGFR kinase
50032216	18	ChEMBL_660994 (CHEMBL1249726)	Inhibition of Flt3 kinase
50032216	19	ChEMBL_660984 (CHEMBL1249651)	Inhibition of Lck kinase
50032216	21	ChEMBL_660991 (CHEMBL1249723)	Inhibition of VEGFR-1 kinase
50032216	22	ChEMBL_660989 (CHEMBL1249721)	Inhibition of B-Raf kinase
50032217	1	ChEMBL_661156 (CHEMBL1250067)	Inhibition of recombinant polo-like kinase 1 activity by SDS-PAGE
50032218	1	ChEMBL_661191 (CHEMBL1250154)	Inhibition of CRAF
50032220	1	ChEMBL_654585 (CHEMBL1243629)	Inhibition of human IGF1R-mediated Poly Glu4Tyr phosphorylation by ELISA
50032220	3	ChEMBL_654587 (CHEMBL1243631)	Inhibition of human GST-fused Src-mediated Poly Glu4Tyr phosphorylation by ELISA
50032221	1	ChEMBL_654851 (CHEMBL1243895)	Inhibition of recombinant HuR RRM1/RRM2 domain assessed as protein dimerization with TMR-labeled A/U-rich element of TNFalpha by confocal fluctuation spectroscopy
50032221	5	ChEMBL_654840 (CHEMBL1243884)	Inhibition of recombinant full length HuR assessed as protein interaction with TMR-labeled A/U-rich element of COX2 by confocal fluctuation spectroscopy
50032221	11	ChEMBL_654857 (CHEMBL1243901)	Binding affinity to recombinant full length HuR assessed as protein dimerization with TMR-labeled A/U-rich element of IL-2 by confocal fluctuation spectroscopy
50032222	1	ChEMBL_654655 (CHEMBL1243699)	Inhibition of UCHL1 in human H1299 cells
50032222	2	ChEMBL_654656 (CHEMBL1243700)	Inhibition of UCHL3 in human H1299 cells
50032222	3	ChEMBL_654657 (CHEMBL1243701)	Inhibition of UCHL1
50032223	1	ChEMBL_654663 (CHEMBL1243707)	Binding affinity to wild-type c-Jun homodimer at by circular dichroism spectroscopy
50032224	1	ChEMBL_654990 (CHEMBL1244034)	Inhibition of Saccharomyces cerevisiae Pho81-MD-MD dependent Pho80-Pho85 activity after 120 mins
50032224	2	ChEMBL_654989 (CHEMBL1244033)	Inhibition of Saccharomyces cerevisiae Pho81-MD-MD dependent Pho80-Pho85 activity after 60 mins
50032224	3	ChEMBL_654988 (CHEMBL1244032)	Inhibition of Saccharomyces cerevisiae Pho81-MD-dependent Pho80-Pho85 activity after 30 mins
50032224	4	ChEMBL_654961 (CHEMBL1244005)	Inhibition of Saccharomyces cerevisiae Pho81-MD-dependent Pho80-Pho85 activity after 10 mins
50032224	5	ChEMBL_654965 (CHEMBL1244009)	Competitive inhibition of Saccharomyces cerevisiae Pho80-Pho85-Pho81-MD catalyzed phosphorylation of Pho4 assessed as increase in substrate concentration by line-weaverberk plot assay
50032224	6	ChEMBL_654967 (CHEMBL1244011)	Inhibition of Saccharomyces cerevisiae Pho80-Pho85-Pho81-MD catalyzed phosphorylation of Pho4-site 6 peptide
50032226	1	ChEMBL_655034 (CHEMBL1244078)	Inhibition of human VEGFR1
50032226	2	ChEMBL_655036 (CHEMBL1244080)	Inhibition of human GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting
50032226	3	ChEMBL_655035 (CHEMBL1244079)	Inhibition of mouse GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting
50032226	5	ChEMBL_655038 (CHEMBL1244082)	Inhibition of human FGFR1
50032226	6	ChEMBL_655039 (CHEMBL1244083)	Inhibition of human FGFR2
50032226	7	ChEMBL_655040 (CHEMBL1244084)	Inhibition of human FGFR3
50032226	8	ChEMBL_655041 (CHEMBL1244085)	Inhibition of human FGFR4
50032226	9	ChEMBL_655042 (CHEMBL1244086)	Inhibition of human PDGFRalpha
50032226	10	ChEMBL_655043 (CHEMBL1244087)	Inhibition of human PDGFRbeta
50032226	12	ChEMBL_655045 (CHEMBL1244089)	Inhibition of human IGF1R
50032226	13	ChEMBL_655046 (CHEMBL1244090)	Inhibition of human EGFR
50032226	14	ChEMBL_655047 (CHEMBL1244091)	Inhibition of human HER2
50032226	16	ChEMBL_655049 (CHEMBL1244093)	Inhibition of human CDK2
50032226	17	ChEMBL_655050 (CHEMBL1244094)	Inhibition of human CDK4
50032226	18	ChEMBL_655051 (CHEMBL1244095)	Inhibition of human Flt3
50032226	19	ChEMBL_655052 (CHEMBL1244096)	Inhibition of human Lck
50032226	20	ChEMBL_655053 (CHEMBL1244097)	Inhibition of human Lyn
50032226	21	ChEMBL_655054 (CHEMBL1244098)	Inhibition of human Src
50032227	1	ChEMBL_655278 (CHEMBL1244322)	Inhibition of ABL1
50032227	2	ChEMBL_655277 (CHEMBL1244321)	Inhibition of YES1
50032227	3	ChEMBL_655276 (CHEMBL1244320)	Inhibition of MAP4K5
50032227	4	ChEMBL_655282 (CHEMBL1244326)	Inhibition of FGR
50032227	5	ChEMBL_655281 (CHEMBL1244325)	Inhibition of SRC
50032227	6	ChEMBL_655280 (CHEMBL1244324)	Inhibition of ABL2
50032227	7	ChEMBL_655283 (CHEMBL1244327)	Inhibition of LCK
50032227	8	ChEMBL_655284 (CHEMBL1244328)	Inhibition of FYN
50032227	9	ChEMBL_655285 (CHEMBL1244329)	Inhibition of FRK
50032227	10	ChEMBL_655286 (CHEMBL1244330)	Inhibition of BTK
50032227	11	ChEMBL_655287 (CHEMBL1244331)	Inhibition of TNK2
50032227	12	ChEMBL_655288 (CHEMBL1244332)	Inhibition of HCK
50032227	13	ChEMBL_655289 (CHEMBL1244333)	Inhibition of STK24
50032227	14	ChEMBL_655290 (CHEMBL1244334)	Inhibition of EPHB4
50032227	15	ChEMBL_655291 (CHEMBL1244335)	Inhibition of BMX
50032227	16	ChEMBL_655292 (CHEMBL1244336)	Inhibition of LYNA
50032227	18	ChEMBL_655294 (CHEMBL1244338)	Inhibition of MAP4K2
50032227	20	ChEMBL_655296 (CHEMBL1244340)	Inhibition of STK10
50032227	21	ChEMBL_655297 (CHEMBL1244341)	Inhibition of SYK
50032227	22	ChEMBL_655298 (CHEMBL1244342)	Inhibition of CSK
50032227	23	ChEMBL_655299 (CHEMBL1244343)	Inhibition of CAMK1D
50032227	24	ChEMBL_655300 (CHEMBL1244344)	Inhibition of PTK2B
50032227	25	ChEMBL_655301 (CHEMBL1244345)	Inhibition of CAMK2G
50032227	26	ChEMBL_655302 (CHEMBL1244346)	Inhibition of STK4
50032227	27	ChEMBL_655303 (CHEMBL1244347)	Inhibition of TEC
50032227	28	ChEMBL_655304 (CHEMBL1244348)	Inhibition of TBK1
50032227	29	ChEMBL_655305 (CHEMBL1244349)	Inhibition of FER
50032227	30	ChEMBL_655306 (CHEMBL1244350)	Inhibition of PTK2
50032227	31	ChEMBL_655530 (CHEMBL1244574)	Inhibition of AXL
50032227	32	ChEMBL_655531 (CHEMBL1244575)	Inhibition of mouse BLK
50032227	33	ChEMBL_655532 (CHEMBL1244576)	Inhibition of cKIT
50032227	34	ChEMBL_655540 (CHEMBL1244584)	Inhibition of EPHB2
50032227	35	ChEMBL_655541 (CHEMBL1244585)	Inhibition of FES
50032227	36	ChEMBL_655542 (CHEMBL1244586)	Inhibition of IRAK4
50032227	37	ChEMBL_655546 (CHEMBL1244590)	Inhibition of TIE2
50032227	38	ChEMBL_655547 (CHEMBL1244591)	Inhibition of TRKA
50032227	39	ChEMBL_655548 (CHEMBL1244592)	Inhibition of TRKB
50032227	40	ChEMBL_655549 (CHEMBL1244593)	Inhibition of TXK
50032227	41	ChEMBL_655537 (CHEMBL1244581)	Inhibition of cRAF
50032227	42	ChEMBL_655538 (CHEMBL1244582)	Inhibition of EGFR
50032227	43	ChEMBL_655543 (CHEMBL1244587)	Inhibition of LIMK1
50032227	44	ChEMBL_655544 (CHEMBL1244588)	Inhibition of PDGFRa
50032227	45	ChEMBL_655545 (CHEMBL1244589)	Inhibition of RIPK2
50032228	1	ChEMBL_655590 (CHEMBL1244634)	Inhibition of human plasma kallikrein using Z-Phe-Arg-AMC substrate after 30 mins by spectrophotometric assay
50032228	2	ChEMBL_655591 (CHEMBL1244635)	Inhibition of human cathepsin G using N-Suc-Ala-Ala-Phe-Pro-pNA substrate by calorimetric assay
50013090	4	ChEMBL_155387 (CHEMBL760746)	Inhibitory activity against phosphodiesterase 6 (PDE6) obtained from canine or bovine retina
50013090	5	ChEMBL_156293 (CHEMBL759930)	Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression
50032228	3	ChEMBL_655599 (CHEMBL1244643)	Binding affinity to urokinase-type plasminogen activator
50032228	4	ChEMBL_655601 (CHEMBL1244645)	Binding affinity to tissue factor/factor 7a
50032228	5	ChEMBL_655602 (CHEMBL1244646)	Binding affinity to angiotensin converting enzyme 2
50032228	6	ChEMBL_655603 (CHEMBL1244647)	Binding affinity to ErbB-2
50032228	7	ChEMBL_655605 (CHEMBL1244649)	Binding affinity to pancreatic lipase
50032228	8	ChEMBL_655607 (CHEMBL1244651)	Binding affinity to Dnase 2
50032228	9	ChEMBL_655598 (CHEMBL1244642)	Binding affinity to human kallikrein 2
50032228	10	ChEMBL_655597 (CHEMBL1244641)	Binding affinity to prostrate specific antigen
50032229	1	ChEMBL_655625 (CHEMBL1244669)	Inhibition of Myc-tagged human Dusp1 expressed in TPA-induced human HeLa cells assessed as decrease in dephosphorylation of pERK measured by immunostaining
50032229	2	ChEMBL_655624 (CHEMBL1244668)	Inhibition of Myc-tagged human Dusp6 expressed in TPA-induced human HeLa cells assessed as decrease in dephosphorylation of pERK measured by immunostaining
50032230	1	ChEMBL_655702 (CHEMBL1244746)	Binding affinity to CAMK1D
50032230	5	ChEMBL_655706 (CHEMBL1244750)	Binding affinity to CAMK2D
50032230	6	ChEMBL_655703 (CHEMBL1244747)	Binding affinity to CAMK1G
50032230	7	ChEMBL_655708 (CHEMBL1244752)	Binding affinity to CAMK4
50032230	8	ChEMBL_655709 (CHEMBL1244753)	Binding affinity to CAMKK1
50032230	10	ChEMBL_655711 (CHEMBL1244755)	Binding affinity to CDC2L1
50032230	12	ChEMBL_655714 (CHEMBL1244758)	Binding affinity to CDK2
50032230	13	ChEMBL_655715 (CHEMBL1244759)	Binding affinity to CDK3
50032230	14	ChEMBL_655716 (CHEMBL1244760)	Binding affinity to CDK5
50032230	15	ChEMBL_655440 (CHEMBL1244484)	Binding affinity to LOK
50032230	16	ChEMBL_655452 (CHEMBL1244496)	Binding affinity to MAP4K4
50032230	17	ChEMBL_655453 (CHEMBL1244497)	Binding affinity to MAP4K5
50032230	18	ChEMBL_655473 (CHEMBL1244517)	Binding affinity to MKNK2
50032230	20	ChEMBL_655485 (CHEMBL1244529)	Binding affinity to MUSK
50032230	21	ChEMBL_655514 (CHEMBL1244558)	Binding affinity to PDGFRA
50032230	22	ChEMBL_655515 (CHEMBL1244559)	Binding affinity to PDGFRB
50032230	23	ChEMBL_655907 (CHEMBL1244951)	Binding affinity to RET
50032230	24	ChEMBL_655949 (CHEMBL1244993)	Binding affinity to TAK1
50032230	25	ChEMBL_655958 (CHEMBL1245002)	Binding affinity to TIE1
50032230	26	ChEMBL_655966 (CHEMBL1245010)	Binding affinity to TRKA
50032230	27	ChEMBL_655967 (CHEMBL1245011)	Binding affinity to TRKB
50032230	28	ChEMBL_655968 (CHEMBL1245012)	Binding affinity to TRKC
50032230	29	ChEMBL_655978 (CHEMBL1245022)	Binding affinity to VEGFR2
50032230	30	ChEMBL_655985 (CHEMBL1245029)	Binding affinity to YSK4
50013090	6	ChEMBL_155207 (CHEMBL762824)	Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue
50013091	9	ChEMBL_34444 (CHEMBL647024)	Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand
50032230	42	ChEMBL_655475 (CHEMBL1244519)	Binding affinity to MLK1
50032230	43	ChEMBL_655476 (CHEMBL1244520)	Binding affinity to MLK2
50032230	44	ChEMBL_655477 (CHEMBL1244521)	Binding affinity to MLK3
50032230	45	ChEMBL_655478 (CHEMBL1244522)	Binding affinity to MRCKA
50032230	46	ChEMBL_655479 (CHEMBL1244523)	Binding affinity to MRCKB
50032230	47	ChEMBL_655480 (CHEMBL1244524)	Binding affinity to MST1
50032230	49	ChEMBL_655482 (CHEMBL1244526)	Binding affinity to MST2
50032230	50	ChEMBL_655483 (CHEMBL1244527)	Binding affinity to MST3
50032230	51	ChEMBL_655484 (CHEMBL1244528)	Binding affinity to MST4
50032230	53	ChEMBL_655487 (CHEMBL1244531)	Binding affinity to MYLK2
50032230	54	ChEMBL_655488 (CHEMBL1244532)	Binding affinity to MYO3A
50035371	3	ChEMBL_69848 (CHEMBL680438)	Inhibit of purified bovine Farnesyl protein transferase.
50032230	56	ChEMBL_655490 (CHEMBL1244534)	Binding affinity to NDR1
50032230	57	ChEMBL_655491 (CHEMBL1244535)	Binding affinity to NDR2
50032230	58	ChEMBL_655492 (CHEMBL1244536)	Binding affinity to NEK1
50032230	59	ChEMBL_655493 (CHEMBL1244537)	Binding affinity to NEK2
50032230	60	ChEMBL_655494 (CHEMBL1244538)	Binding affinity to NEK5
50032230	61	ChEMBL_655495 (CHEMBL1244539)	Binding affinity to NEK6
50032230	62	ChEMBL_655496 (CHEMBL1244540)	Binding affinity to NEK7
50032230	63	ChEMBL_655497 (CHEMBL1244541)	Binding affinity to NEK9
50032230	64	ChEMBL_655498 (CHEMBL1244542)	Binding affinity to NIM1
50032230	65	ChEMBL_655499 (CHEMBL1244543)	Binding affinity to NLK
50032230	66	ChEMBL_655500 (CHEMBL1244544)	Binding affinity to OSR1
50032230	67	ChEMBL_655501 (CHEMBL1244545)	Binding affinity to p38-alpha
50032230	68	ChEMBL_655502 (CHEMBL1244546)	Binding affinity to p38-beta
50032230	69	ChEMBL_655503 (CHEMBL1244547)	Binding affinity to p38-delta
50032230	70	ChEMBL_655504 (CHEMBL1244548)	Binding affinity to p38-gamma
50032230	71	ChEMBL_655505 (CHEMBL1244549)	Binding affinity to PAK1
50032230	72	ChEMBL_655506 (CHEMBL1244550)	Binding affinity to PAK2
50032230	73	ChEMBL_655507 (CHEMBL1244551)	Binding affinity to PAK3
50032230	74	ChEMBL_655508 (CHEMBL1244552)	Binding affinity to PAK4
50032230	75	ChEMBL_655509 (CHEMBL1244553)	Binding affinity to PAK6
50032230	76	ChEMBL_655510 (CHEMBL1244554)	Binding affinity to PAK7
50032230	77	ChEMBL_655511 (CHEMBL1244555)	Binding affinity to PCTK1
50032230	78	ChEMBL_655512 (CHEMBL1244556)	Binding affinity to PCTK2
50032230	79	ChEMBL_655513 (CHEMBL1244557)	Binding affinity to PCTK3
50032230	80	ChEMBL_655516 (CHEMBL1244560)	Binding affinity to PDPK1
50032230	82	ChEMBL_655518 (CHEMBL1244562)	Binding affinity to PFTK1
50032230	83	ChEMBL_655519 (CHEMBL1244563)	Binding affinity to PHKG1
50032230	84	ChEMBL_655520 (CHEMBL1244564)	Binding affinity to PHKG2
50032230	85	ChEMBL_655521 (CHEMBL1244565)	Binding affinity to PIK3C2B
50032230	86	ChEMBL_655522 (CHEMBL1244566)	Binding affinity to PIK3C2G
50032230	87	ChEMBL_655523 (CHEMBL1244567)	Binding affinity to PIK3CA
50032230	88	ChEMBL_655874 (CHEMBL1244918)	Binding affinity to PIK3CB
50032230	89	ChEMBL_655875 (CHEMBL1244919)	Binding affinity to PIK3CD
50032230	90	ChEMBL_655876 (CHEMBL1244920)	Binding affinity to PIK3CG
50032230	91	ChEMBL_655877 (CHEMBL1244921)	Binding affinity to PIK4CB
50032230	92	ChEMBL_655878 (CHEMBL1244922)	Binding affinity to PIM1
50032230	93	ChEMBL_655879 (CHEMBL1244923)	Binding affinity to PIM2
50032230	94	ChEMBL_655880 (CHEMBL1244924)	Binding affinity to PIM3
50032230	95	ChEMBL_655881 (CHEMBL1244925)	Binding affinity to PIP5K1A
50032230	96	ChEMBL_655882 (CHEMBL1244926)	Binding affinity to PIP5K2B
50032230	98	ChEMBL_655884 (CHEMBL1244928)	Binding affinity to PKAC-beta
50032230	99	ChEMBL_655885 (CHEMBL1244929)	Binding affinity to PKMYT1
50032230	100	ChEMBL_655886 (CHEMBL1244930)	Binding affinity to PKN1
50032230	101	ChEMBL_655887 (CHEMBL1244931)	Binding affinity to PKN2
50032230	102	ChEMBL_655888 (CHEMBL1244932)	Binding affinity to PLK1
50032230	103	ChEMBL_655889 (CHEMBL1244933)	Binding affinity to PLK2
50032230	104	ChEMBL_655890 (CHEMBL1244934)	Binding affinity to PLK3
50032230	105	ChEMBL_655891 (CHEMBL1244935)	Binding affinity to PLK4
50032230	106	ChEMBL_655892 (CHEMBL1244936)	Binding affinity to PRKCD
50032230	107	ChEMBL_655893 (CHEMBL1244937)	Binding affinity to PRKCE
50032230	109	ChEMBL_655895 (CHEMBL1244939)	Binding affinity to PRKCQ
50032230	110	ChEMBL_655896 (CHEMBL1244940)	Binding affinity to PRKD1
50032230	112	ChEMBL_655898 (CHEMBL1244942)	Binding affinity to PRKD3
50032230	114	ChEMBL_655900 (CHEMBL1244944)	Binding affinity to PRKG2
50032230	115	ChEMBL_655901 (CHEMBL1244945)	Binding affinity to PRKR
50048578	1	ChEMBL_178644 (CHEMBL785066)	Ability to inhibit [Ca2+] influx neonatal rat cultured spinal sensory neurons.
50048578	2	ChEMBL_172591 (CHEMBL884090)	Ability to cause [Ca2+] influx in neonatal rat cultured spinal sensory neurons.
50013167	6	ChEMBL_149319 (CHEMBL756354)	Binding affinity for mu opioid receptor
50035372	5	ChEMBL_201657 (CHEMBL803031)	Inhibition of binding of [3H]citalopram to (SERT) serotonin transporter in rat striatum
50035372	6	ChEMBL_142631 (CHEMBL746899)	Inhibition of binding of [3H]nisoxetine to (NET) norepinephrine transporter in rat striatum
50035375	1	ChEMBL_203056 (CHEMBL811560)	Inhibitory activity against steroid sulfatase (STS)
50035376	8	ChEMBL_147232 (CHEMBL754920)	Concentration required to stimulate [35S]GTP-gamma-S, binding to human opioid receptor kappa 1 in cell membrane
50035376	6	ChEMBL_144650 (CHEMBL752664)	Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane
50035376	7	ChEMBL_145580 (CHEMBL749656)	Concentration required to stimulate [35S]GTP-gamma-S, binding to human opioid receptor mu 1 in cell membrane
50032230	32	ChEMBL_655668 (CHEMBL1244712)	Binding affinity to ACVR1
50032230	185	ChEMBL_655687 (CHEMBL1244731)	Binding affinity to AURKC
50032230	186	ChEMBL_655720 (CHEMBL1244764)	Binding affinity to CDKL2
50032230	187	ChEMBL_655726 (CHEMBL1244770)	Binding affinity to CLK1
50032230	188	ChEMBL_655729 (CHEMBL1244773)	Binding affinity to CLK4
50032230	189	ChEMBL_655730 (CHEMBL1244774)	Binding affinity to CSF1R
50032230	190	ChEMBL_655747 (CHEMBL1244791)	Binding affinity to DDR1
50032230	191	ChEMBL_655757 (CHEMBL1244801)	Binding affinity to EGFR
50048579	1	ChEMBL_157053 (CHEMBL769676)	Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells
50014067	2	ChEMBL_90220 (CHEMBL697065)	Effect on induced hyperacetylation of histones in whole cells
50032230	228	ChEMBL_655902 (CHEMBL1244946)	Binding affinity to PRKX
50032230	229	ChEMBL_655903 (CHEMBL1244947)	Binding affinity to PRP4
50032230	230	ChEMBL_655904 (CHEMBL1244948)	Binding affinity to PYK2
50032230	231	ChEMBL_655905 (CHEMBL1244949)	Binding affinity to QSK
50032230	232	ChEMBL_655906 (CHEMBL1244950)	Binding affinity to RAF1
50032230	233	ChEMBL_655911 (CHEMBL1244955)	Binding affinity to RIOK1
50032230	234	ChEMBL_655912 (CHEMBL1244956)	Binding affinity to RIOK2
50032230	235	ChEMBL_655913 (CHEMBL1244957)	Binding affinity to RIOK3
50032230	236	ChEMBL_655914 (CHEMBL1244958)	Binding affinity to RIPK1
50032230	237	ChEMBL_655915 (CHEMBL1244959)	Binding affinity to RIPK2
50032230	238	ChEMBL_655916 (CHEMBL1244960)	Binding affinity to RIPK4
50032230	239	ChEMBL_655917 (CHEMBL1244961)	Binding affinity to ROCK1
50032230	241	ChEMBL_655919 (CHEMBL1244963)	Binding affinity to ROS1
50032230	243	ChEMBL_655921 (CHEMBL1244965)	Binding affinity to RPS6KA1(Kin.Dom.2-C-terminal)
50032230	245	ChEMBL_655923 (CHEMBL1244967)	Binding affinity to RPS6KA2(Kin.Dom.2-C-terminal)
50032230	247	ChEMBL_655925 (CHEMBL1244969)	Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)
50032230	248	ChEMBL_655926 (CHEMBL1244970)	Binding affinity to RPS6KA4(Kin.Dom.2-C-terminal)
50032230	250	ChEMBL_655927 (CHEMBL1244971)	Binding affinity to RPS6KA5(Kin.Dom.1-N-terminal)
50032230	253	ChEMBL_655931 (CHEMBL1244975)	Binding affinity to SBK1
50032230	254	ChEMBL_655932 (CHEMBL1244976)	Binding affinity to SgK085
50032230	255	ChEMBL_655933 (CHEMBL1244977)	Binding affinity to SgK110
50032230	256	ChEMBL_655934 (CHEMBL1244978)	Binding affinity to SIK
50032230	144	ChEMBL_655935 (CHEMBL1244979)	Binding affinity to SIK2
50032230	145	ChEMBL_655936 (CHEMBL1244980)	Binding affinity to SLK
50032230	146	ChEMBL_655937 (CHEMBL1244981)	Binding affinity to SNARK
50032230	147	ChEMBL_655938 (CHEMBL1244982)	Binding affinity to SRC
50032230	148	ChEMBL_655939 (CHEMBL1244983)	Binding affinity to SRMS
50032230	149	ChEMBL_655940 (CHEMBL1244984)	Binding affinity to SRPK1
50032230	152	ChEMBL_655943 (CHEMBL1244987)	Binding affinity to STK16
50032230	153	ChEMBL_655944 (CHEMBL1244988)	Binding affinity to STK33
50032230	155	ChEMBL_655946 (CHEMBL1244990)	Binding affinity to STK36
50032230	257	ChEMBL_655947 (CHEMBL1244991)	Binding affinity to STK39
50032230	156	ChEMBL_655948 (CHEMBL1244992)	Binding affinity to SYK
50048580	1	ChEMBL_157197 (CHEMBL768610)	Inhibition of phosphodiesterase 4 (PDE4) from U937 cells
50032230	159	ChEMBL_655952 (CHEMBL1244996)	Binding affinity to TAOK3
50032230	160	ChEMBL_655953 (CHEMBL1244997)	Binding affinity to TBK1
50032230	161	ChEMBL_655954 (CHEMBL1244998)	Binding affinity to TEC
50032230	162	ChEMBL_655955 (CHEMBL1244999)	Binding affinity to TESK1
50032230	163	ChEMBL_655956 (CHEMBL1245000)	Binding affinity to TGFBR1
50032230	164	ChEMBL_655957 (CHEMBL1245001)	Binding affinity to TGFBR2
50032230	165	ChEMBL_655959 (CHEMBL1245003)	Binding affinity to TIE2
50032230	166	ChEMBL_655960 (CHEMBL1245004)	Binding affinity to TLK1
50032230	167	ChEMBL_655961 (CHEMBL1245005)	Binding affinity to TLK2
50032230	168	ChEMBL_655962 (CHEMBL1245006)	Binding affinity to TNIK
50032230	169	ChEMBL_655963 (CHEMBL1245007)	Binding affinity to TNK1
50032230	170	ChEMBL_655964 (CHEMBL1245008)	Binding affinity to TNK2
50032230	172	ChEMBL_655969 (CHEMBL1245013)	Binding affinity to TSSK1B
50032230	173	ChEMBL_655970 (CHEMBL1245014)	Binding affinity to TTK
50032230	174	ChEMBL_655971 (CHEMBL1245015)	Binding affinity to TXK
50032230	177	ChEMBL_655974 (CHEMBL1245018)	Binding affinity to TYRO3
50032230	180	ChEMBL_655977 (CHEMBL1245021)	Binding affinity to ULK3
50032230	181	ChEMBL_655979 (CHEMBL1245023)	Binding affinity to WEE1
50032230	258	ChEMBL_655980 (CHEMBL1245024)	Binding affinity to WEE2
50032230	182	ChEMBL_655981 (CHEMBL1245025)	Binding affinity to YANK2
50032230	259	ChEMBL_655982 (CHEMBL1245026)	Binding affinity to YANK3
50032230	260	ChEMBL_655983 (CHEMBL1245027)	Binding affinity to YES
50032230	183	ChEMBL_655984 (CHEMBL1245028)	Binding affinity to YSK1
50032230	184	ChEMBL_655987 (CHEMBL1245031)	Binding affinity to ZAP70
50014026	2	ChEMBL_154314 (CHEMBL762799)	Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme
50035385	5	ChEMBL_34451 (CHEMBL651983)	Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand
50032230	119	ChEMBL_655682 (CHEMBL1244726)	Binding affinity to ARK5
50032230	120	ChEMBL_655683 (CHEMBL1244727)	Binding affinity to ASK1
50032230	121	ChEMBL_655684 (CHEMBL1244728)	Binding affinity to ASK2
50032230	122	ChEMBL_655685 (CHEMBL1244729)	Binding affinity to AURKA
50032230	274	ChEMBL_655688 (CHEMBL1244732)	Binding affinity to AXL
50032230	275	ChEMBL_655689 (CHEMBL1244733)	Binding affinity to BIKE
50032230	276	ChEMBL_655690 (CHEMBL1244734)	Binding affinity to BLK
50032230	277	ChEMBL_655691 (CHEMBL1244735)	Binding affinity to BMPR1A
50032230	278	ChEMBL_655692 (CHEMBL1244736)	Binding affinity to BMPR1B
50032230	279	ChEMBL_655693 (CHEMBL1244737)	Binding affinity to BMPR2
50032230	280	ChEMBL_655694 (CHEMBL1244738)	Binding affinity to BMX
50032230	266	ChEMBL_655695 (CHEMBL1244739)	Binding affinity to BRAF
50032230	281	ChEMBL_655697 (CHEMBL1244741)	Binding affinity to BRK
50032230	283	ChEMBL_655699 (CHEMBL1244743)	Binding affinity to BRSK2
50032230	284	ChEMBL_655700 (CHEMBL1244744)	Binding affinity to BTK
50032230	285	ChEMBL_655701 (CHEMBL1244745)	Binding affinity to CAMK1
50018115	26	ChEMBL_2264685	Inhibition of CDK2/cyclin A (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50032230	286	ChEMBL_655456 (CHEMBL1244500)	Binding affinity to MARK1
50032230	287	ChEMBL_655457 (CHEMBL1244501)	Binding affinity to MARK2
50032230	289	ChEMBL_655459 (CHEMBL1244503)	Binding affinity to MARK4
50032230	139	ChEMBL_655460 (CHEMBL1244504)	Binding affinity to MAST1
50032230	140	ChEMBL_655461 (CHEMBL1244505)	Binding affinity to MEK1
50032230	141	ChEMBL_655462 (CHEMBL1244506)	Binding affinity to MEK2
50032230	290	ChEMBL_655463 (CHEMBL1244507)	Binding affinity to MEK3
50032230	291	ChEMBL_655464 (CHEMBL1244508)	Binding affinity to MEK4
50032230	142	ChEMBL_655465 (CHEMBL1244509)	Binding affinity to MEK6
50032230	292	ChEMBL_655466 (CHEMBL1244510)	Binding affinity to MELK
50032230	293	ChEMBL_655467 (CHEMBL1244511)	Binding affinity to MERTK
50032230	294	ChEMBL_655468 (CHEMBL1244512)	Binding affinity to MET
50032230	143	ChEMBL_655472 (CHEMBL1244516)	Binding affinity to MKNK1
50032230	137	ChEMBL_655454 (CHEMBL1244498)	Binding affinity to MAPKAPK2
50032230	138	ChEMBL_655455 (CHEMBL1244499)	Binding affinity to MAPKAPK5
50032230	224	ChEMBL_655434 (CHEMBL1244478)	Binding affinity to LATS1
50032230	225	ChEMBL_655435 (CHEMBL1244479)	Binding affinity to LATS2
50032230	226	ChEMBL_655436 (CHEMBL1244480)	Binding affinity to LCK
50032230	227	ChEMBL_655439 (CHEMBL1244483)	Binding affinity to LKB1
50032230	297	ChEMBL_655442 (CHEMBL1244486)	Binding affinity to LYN
50032230	298	ChEMBL_655443 (CHEMBL1244487)	Binding affinity to LZK
50032230	299	ChEMBL_655447 (CHEMBL1244491)	Binding affinity to MAP3K2
50032230	300	ChEMBL_655448 (CHEMBL1244492)	Binding affinity to MAP3K3
50032230	301	ChEMBL_655451 (CHEMBL1244495)	Binding affinity to MAP4K3
50048581	1	ChEMBL_87718 (CHEMBL697246)	Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract
50014634	4	ChEMBL_79387 (CHEMBL687920)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 127/3316
50014634	7	ChEMBL_79390 (CHEMBL687923)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 22/252
50014634	11	ChEMBL_79394 (CHEMBL692815)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 76/322
50014634	12	ChEMBL_79386 (CHEMBL687919)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells
50014634	5	ChEMBL_79389 (CHEMBL687922)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 21/840
50014634	9	ChEMBL_79392 (CHEMBL687925)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 67/1213
50014634	8	ChEMBL_79393 (CHEMBL687926)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 73/1044
50014634	6	ChEMBL_79391 (CHEMBL687924)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 4/60
50014634	10	ChEMBL_79395 (CHEMBL692816)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; ERbeta value=ND=Not determined
50014634	3	ChEMBL_79388 (CHEMBL687921)	In vivo inhibition of human ERalpha/ERbeta co-expressed in HEK 293 cells; 137/1375
50035386	7	ChEMBL_157829 (CHEMBL856206)	Inhibitory activity against murine Prostaglandin G/H synthase 2.
50048582	1	ChEMBL_87396 (CHEMBL691511)	Inhibitory activity against histone deacetylase (HDAC)
50032230	33	ChEMBL_655669 (CHEMBL1244713)	Binding affinity to ACVR1B
50032230	34	ChEMBL_655670 (CHEMBL1244714)	Binding affinity to ACVR2A
50032230	35	ChEMBL_655671 (CHEMBL1244715)	Binding affinity to ACVR2B
50032230	36	ChEMBL_655672 (CHEMBL1244716)	Binding affinity to ACVRL1
50032230	264	ChEMBL_655673 (CHEMBL1244717)	Binding affinity to ADCK3
50032230	265	ChEMBL_655674 (CHEMBL1244718)	Binding affinity to ADCK4
50032230	37	ChEMBL_655675 (CHEMBL1244719)	Binding affinity to AKT1
50032230	38	ChEMBL_655676 (CHEMBL1244720)	Binding affinity to AKT2
50032230	39	ChEMBL_655677 (CHEMBL1244721)	Binding affinity to AKT3
50032230	116	ChEMBL_655679 (CHEMBL1244723)	Binding affinity to AMPK-alpha1
50032230	117	ChEMBL_655680 (CHEMBL1244724)	Binding affinity to AMPK-alpha2
50032230	118	ChEMBL_655681 (CHEMBL1244725)	Binding affinity to ANKK1
50032230	267	ChEMBL_655713 (CHEMBL1244757)	Binding affinity to CDK11
50032230	305	ChEMBL_655717 (CHEMBL1244761)	Binding affinity to CDK7
50032230	268	ChEMBL_655718 (CHEMBL1244762)	Binding affinity to CDK8
50032230	306	ChEMBL_655719 (CHEMBL1244763)	Binding affinity to CDK9
50032230	307	ChEMBL_655721 (CHEMBL1244765)	Binding affinity to CDKL3
50032230	308	ChEMBL_655722 (CHEMBL1244766)	Binding affinity to CDKL5
50032230	310	ChEMBL_655724 (CHEMBL1244768)	Binding affinity to CHEK2
50032230	311	ChEMBL_655725 (CHEMBL1244769)	Binding affinity to CIT
50032230	312	ChEMBL_655727 (CHEMBL1244771)	Binding affinity to CLK2
50032230	269	ChEMBL_655728 (CHEMBL1244772)	Binding affinity to CLK3
50032230	313	ChEMBL_655731 (CHEMBL1244775)	Binding affinity to CSK
50032230	270	ChEMBL_655732 (CHEMBL1244776)	Binding affinity to CSNK1A1L
50032230	271	ChEMBL_655733 (CHEMBL1244777)	Binding affinity to CSNK1D
50032230	272	ChEMBL_655734 (CHEMBL1244778)	Binding affinity to CSNK1E
50032230	302	ChEMBL_655735 (CHEMBL1244779)	Binding affinity to CSNK1G1
50032230	303	ChEMBL_655736 (CHEMBL1244780)	Binding affinity to CSNK1G2
50032230	304	ChEMBL_655737 (CHEMBL1244781)	Binding affinity to CSNK1G3
50032230	314	ChEMBL_655738 (CHEMBL1244782)	Binding affinity to CSNK2A1
50032230	315	ChEMBL_655739 (CHEMBL1244783)	Binding affinity to CSNK2A2
50032230	316	ChEMBL_655740 (CHEMBL1244784)	Binding affinity to CTK
50032230	318	ChEMBL_655742 (CHEMBL1244786)	Binding affinity to DAPK2
50032230	319	ChEMBL_655743 (CHEMBL1244787)	Binding affinity to DAPK3
50032230	320	ChEMBL_655744 (CHEMBL1244788)	Binding affinity to DCAMKL1
50035387	5	ChEMBL_214543 (CHEMBL819380)	Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor
50032230	322	ChEMBL_655746 (CHEMBL1244790)	Binding affinity to DCAMKL3
50032230	323	ChEMBL_655749 (CHEMBL1244793)	Binding affinity to DLK
50032230	327	ChEMBL_655753 (CHEMBL1244797)	Binding affinity to DRAK2
50032230	328	ChEMBL_655754 (CHEMBL1244798)	Binding affinity to DYRK1A
50032230	329	ChEMBL_655755 (CHEMBL1244799)	Binding affinity to DYRK1B
50032230	330	ChEMBL_655756 (CHEMBL1244800)	Binding affinity to DYRK2
50048583	1	ChEMBL_50464 (CHEMBL657334)	Inhibitory activity against Escherichia coli DNA gyrase
50032230	332	ChEMBL_655769 (CHEMBL1244813)	Binding affinity to EPHA2
50032230	333	ChEMBL_655770 (CHEMBL1244814)	Binding affinity to EPHA3
50032230	334	ChEMBL_655771 (CHEMBL1244815)	Binding affinity to EPHA4
50032230	335	ChEMBL_655772 (CHEMBL1244816)	Binding affinity to EPHA5
50032230	337	ChEMBL_655774 (CHEMBL1244818)	Binding affinity to EPHA7
50032230	338	ChEMBL_655775 (CHEMBL1244819)	Binding affinity to EPHA8
50032230	339	ChEMBL_655776 (CHEMBL1244820)	Binding affinity to EPHB1
50032230	340	ChEMBL_655777 (CHEMBL1244821)	Binding affinity to EPHB2
50032230	341	ChEMBL_655778 (CHEMBL1244822)	Binding affinity to EPHB3
50032230	342	ChEMBL_655779 (CHEMBL1244823)	Binding affinity to EPHB4
50032230	343	ChEMBL_655781 (CHEMBL1244825)	Binding affinity to ERBB2
50032230	344	ChEMBL_655782 (CHEMBL1244826)	Binding affinity to ERBB3
50032230	345	ChEMBL_655783 (CHEMBL1244827)	Binding affinity to ERBB4
50032230	346	ChEMBL_655784 (CHEMBL1244828)	Binding affinity to ERK1
50032230	347	ChEMBL_655785 (CHEMBL1244829)	Binding affinity to ERK2
50032230	348	ChEMBL_655786 (CHEMBL1244830)	Binding affinity to ERK3
50032230	349	ChEMBL_655787 (CHEMBL1244831)	Binding affinity to ERK4
50032230	350	ChEMBL_655788 (CHEMBL1244832)	Binding affinity to ERK5
50032230	351	ChEMBL_655790 (CHEMBL1244834)	Binding affinity to ERN1
50032230	352	ChEMBL_655791 (CHEMBL1244835)	Binding affinity to FAK
50032230	41	ChEMBL_655792 (CHEMBL1244836)	Binding affinity to FER
50032230	192	ChEMBL_655793 (CHEMBL1244837)	Binding affinity to FES
50032230	193	ChEMBL_655794 (CHEMBL1244838)	Binding affinity to FGFR1
50032230	194	ChEMBL_655795 (CHEMBL1244839)	Binding affinity to FGFR2
50032230	195	ChEMBL_655796 (CHEMBL1244840)	Binding affinity to FGFR3
50032230	196	ChEMBL_655798 (CHEMBL1244842)	Binding affinity to FGFR4
50032230	197	ChEMBL_655799 (CHEMBL1244843)	Binding affinity to FGR
50032230	202	ChEMBL_655809 (CHEMBL1244853)	Binding affinity to FYN
50032230	203	ChEMBL_655810 (CHEMBL1244854)	Binding affinity to GAK
50032230	204	ChEMBL_655812 (CHEMBL1244856)	Binding affinity to GRK1
50032230	205	ChEMBL_655813 (CHEMBL1244857)	Binding affinity to GRK4
50032230	206	ChEMBL_655814 (CHEMBL1244858)	Binding affinity to GRK7
50032230	207	ChEMBL_655815 (CHEMBL1244859)	Binding affinity to GSK3A
50032230	353	ChEMBL_655816 (CHEMBL1244860)	Binding affinity to GSK3B
50032230	354	ChEMBL_655817 (CHEMBL1244861)	Binding affinity to HCK
50032230	208	ChEMBL_655818 (CHEMBL1244862)	Binding affinity to HIPK1
50032230	209	ChEMBL_655819 (CHEMBL1244863)	Binding affinity to HIPK2
50032230	210	ChEMBL_655820 (CHEMBL1244864)	Binding affinity to HIPK3
50032230	212	ChEMBL_655822 (CHEMBL1244866)	Binding affinity to HPK1
50048583	2	ChEMBL_54342 (CHEMBL663891)	Inhibitory activity against human DNA topoisomerase II
50032230	214	ChEMBL_655824 (CHEMBL1244868)	Binding affinity to ICK
50032230	123	ChEMBL_655825 (CHEMBL1244869)	Binding affinity to IGF1R
50032230	124	ChEMBL_655414 (CHEMBL1244458)	Binding affinity to IKK-beta
50032230	216	ChEMBL_655415 (CHEMBL1244459)	Binding affinity to IKK-epsilon
50032230	126	ChEMBL_655417 (CHEMBL1244461)	Binding affinity to INSRR
50032230	127	ChEMBL_655418 (CHEMBL1244462)	Binding affinity to IRAK1
50032230	128	ChEMBL_655420 (CHEMBL1244464)	Binding affinity to ITK
50032230	219	ChEMBL_655423 (CHEMBL1244467)	Binding affinity to JH1 catalytic domain JAK2
50032230	220	ChEMBL_655424 (CHEMBL1244468)	Binding affinity to JH1 catalytic domain of JAK3
50032230	221	ChEMBL_655425 (CHEMBL1244469)	Binding affinity to JNK1
50032230	130	ChEMBL_655426 (CHEMBL1244470)	Binding affinity to JNK2
50032230	222	ChEMBL_655427 (CHEMBL1244471)	Binding affinity to JNK3
50032230	131	ChEMBL_655437 (CHEMBL1244481)	Binding affinity to LIMK1
50032230	132	ChEMBL_655438 (CHEMBL1244482)	Binding affinity to LIMK2
50032230	355	ChEMBL_655441 (CHEMBL1244485)	Binding affinity to LTK
50032230	134	ChEMBL_655445 (CHEMBL1244489)	Binding affinity to MAP3K1
50032230	135	ChEMBL_655446 (CHEMBL1244490)	Binding affinity to MAP3K15
50048583	3	ChEMBL_54341 (CHEMBL663890)	Human DNA topoisomerase II relaxation activity was determined
50032230	356	ChEMBL_655450 (CHEMBL1244494)	Binding affinity to MAP4K2
50035388	10	ChEMBL_70407 (CHEMBL680434)	Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2
50035388	6	ChEMBL_70090 (CHEMBL677036)	Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2
50035388	8	ChEMBL_70553 (CHEMBL680672)	Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits
50035388	9	ChEMBL_70252 (CHEMBL682711)	Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2
50035388	7	ChEMBL_70552 (CHEMBL680671)	Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-5-beta-3-gamma-2
50035389	1	ChEMBL_154915 (CHEMBL764690)	In vitro binding affinity towards Plasmodium falciparum plasmepsin-2
50048584	1	ChEMBL_161724 (CHEMBL766371)	Inhibition of protein kinase A expressed in Escherichia coli
50014722	6	ChEMBL_157362 (CHEMBL762038)	Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney
50014722	4	ChEMBL_156014 (CHEMBL764106)	Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin
50014722	5	ChEMBL_156601 (CHEMBL759683)	Inhibitory concentration against phosphodiesterase 3 from human platelet
50014761	15	ChEMBL_3327 (CHEMBL619027)	Compound was tested for agonist activity at the 5-hydroxytryptamine 4 receptor in the rat tunica muscularis mucosae (TMM) assay
50014761	11	ChEMBL_39025 (CHEMBL650067)	Compound was evaluated for Beta adrenergic receptor binding
50014761	12	ChEMBL_2223 (CHEMBL617168)	Compound was evaluated for 5-hydroxytryptamine 2 receptor binding
50014761	13	ChEMBL_32898 (CHEMBL648801)	Compound was evaluated for alpha-2 adrenergic receptor binding
50032230	211	ChEMBL_655821 (CHEMBL1244865)	Binding affinity to HIPK4
50035394	6	ChEMBL_214697 (CHEMBL817832)	Binding affinity measured by inhibition of 3[H] AVP binding to cloned human V2 receptor (Compound 7o)
50032230	223	ChEMBL_655428 (CHEMBL1244472)	Binding affinity to KIT
50035394	11	ChEMBL_214405 (CHEMBL819424)	Evaluated for intracellular calcium mobilization in HEK- 293 cells transfected to express human vasopressin V1a receptor (Compound 7o)
50032230	158	ChEMBL_655950 (CHEMBL1244994)	Binding affinity to TAO1
50035398	6	ChEMBL_62484 (CHEMBL677376)	Displacement of [3H]WIN-35428 from dopamine transporter of rat brain membrane
50035398	7	ChEMBL_201972 (CHEMBL804974)	Displacement of [3H]-citalopram from serotonin transporter of rat brain membrane
50032230	252	ChEMBL_655930 (CHEMBL1244974)	Binding affinity to RPS6KA6(Kin.Dom.2-C-terminal)
50035398	8	ChEMBL_138954 (CHEMBL742766)	Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat brain membrane
50035398	9	ChEMBL_143115 (CHEMBL747997)	Displacement of [3H]-nisoxatine from norepinephrine transporter of rat brain membrane
50014801	5	ChEMBL_157051 (CHEMBL769674)	Inhibition of phosphodiesterase 4
50014801	6	ChEMBL_155197 (CHEMBL763670)	Inhibition of Phosphodiesterase 5
50014801	3	ChEMBL_156146 (CHEMBL760752)	Inhibition of Phosphodiesterase 1
50014801	4	ChEMBL_156467 (CHEMBL761544)	Inhibition of phosphodiesterase 3
50032230	361	ChEMBL_656002 (CHEMBL1245046)	Inhibition of FLT3 autophosphorylation in human AML cells isolated from relapsed acute myeloid leukemia patient by Western blotting
50032230	357	ChEMBL_655748 (CHEMBL1244792)	Binding affinity to DDR2
50032230	358	ChEMBL_655780 (CHEMBL1244824)	Binding affinity to EPHB6
50032230	359	ChEMBL_655789 (CHEMBL1244833)	Binding affinity to ERK8
50032230	198	ChEMBL_655800 (CHEMBL1244844)	Binding affinity to FLT1
50032230	201	ChEMBL_655808 (CHEMBL1244852)	Binding affinity to FRK
50048585	1	ChEMBL_87542 (CHEMBL695140)	In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract
50035405	38	ChEMBL_143876 (CHEMBL751860)	Affinity for nicotinic acetylcholine receptor alpha4-beta2
50035405	35	ChEMBL_27781 (CHEMBL645917)	Affinity towards human adenosine A2 receptor
50035405	36	ChEMBL_32785 (CHEMBL644531)	Affinity towards alpha-2 adrenergic receptor
50035405	37	ChEMBL_33422 (CHEMBL648818)	Affinity towards alpha-1 adrenergic receptor
50014918	5	ChEMBL_31415 (CHEMBL875928)	Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor expressed in HEK293 cells
50014918	6	ChEMBL_30296 (CHEMBL639465)	Displacement of specific [3H]DPCPX binding at human adenosine A2B receptor expressed in HEK293 cells.
50032230	262	ChEMBL_655658 (CHEMBL1244702)	Binding affinity to ABL1
50032230	263	ChEMBL_655667 (CHEMBL1244711)	Binding affinity to ABL2
50014923	5	ChEMBL_104771 (CHEMBL714916)	Agonist activity for its ability to inhibit forskolin-stimulated cAMP accumulation against MT1 receptor
50014096	7	ChEMBL_51522 (CHEMBL660382)	Inhibition of cytochrome P450 2C19
50014096	8	ChEMBL_51364 (CHEMBL663695)	Inhibition of cytochrome P450 1A2
50032230	133	ChEMBL_655444 (CHEMBL1244488)	Binding affinity to MAK
50014110	2	ChEMBL_90391 (CHEMBL698194)	Inhibitory activity against IKK1
50048586	1	ChEMBL_202553 (CHEMBL804526)	Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain
50018115	27	ChEMBL_2264686	Inhibition of CDK4/cyclin D1 (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50018115	28	ChEMBL_2264687	Inhibition of CDK6 (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50018115	29	ChEMBL_2264688	Inhibition of CDK7 (unknown origin) assessed as substrate phosphorylation using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50018115	30	ChEMBL_2264689	Inhibition of recombinant human full length CDK9/cyclin T1 expressed in sf9 cells preincubated for 15 mins followed by substrate addition and measured after 25 mins using biotin-Ttds-YISPLKSPYKISEG as substrate in presence of ATP by TR-FRET assay
50018115	31	ChEMBL_2264690	Inhibition of recombinant human CDK2/cyclin E expressed in sf9 cells preincubated for 15 mins followed by substrate addition and measured after 25 mins using biotin-Ttds-YISPLKSPYKISEG as substrate in presence of ATP by TR-FRET assay
50018115	32	ChEMBL_2264691	Inhibition of human CDK9 in human MV4-11 cells assessed as decrease in RNAP2 phosphorylation at Ser2 by western blot analysis
50018115	33	ChEMBL_2264692	Inhibition of CDK9 (unknown origin) by Kinomescan method
50018115	34	ChEMBL_2264693	Inhibition of CDK1 (unknown origin) by Kinomescan method
50018115	35	ChEMBL_2264694	Inhibition of CDK2 (unknown origin) by Kinomescan method
50018115	36	ChEMBL_2264695	Inhibition of CDK5 (unknown origin) by Kinomescan method
50018115	37	ChEMBL_2264696	Inhibition of CDK7 (unknown origin) by Kinomescan method
50018115	38	ChEMBL_2264697	Inhibition of CDK8 (unknown origin) by Kinomescan method
50018115	39	ChEMBL_2264698	Inhibition of CDK14 (unknown origin) by Kinomescan method
50018115	40	ChEMBL_2264699	Inhibition of CDK16 (unknown origin) by Kinomescan method
50018115	41	ChEMBL_2264700	Inhibition of CDK17 (unknown origin) by Kinomescan method
50018115	42	ChEMBL_2264701	Inhibition of CDK18 (unknown origin) by Kinomescan method
50018115	43	ChEMBL_2264702	Inhibition of DYRK1B (unknown origin) by Kinomescan method
50018115	44	ChEMBL_2264704	Inhibition of CDK9 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	45	ChEMBL_2264705	Inhibition of CDK2 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	46	ChEMBL_2264706	Inhibition of CDK3 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	47	ChEMBL_2264707	Inhibition of CDK4 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50048587	2	ChEMBL_68895 (CHEMBL678617)	Inhibition of human gamma-secretase activity
50014116	6	ChEMBL_87530 (CHEMBL694901)	Inhibition of Histone deacetylase (HDAC)of HeLa nuclear extracts
50014122	4	ChEMBL_220590 (CHEMBL841869)	Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain
50014126	9	ChEMBL_201485 (CHEMBL805242)	Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter
50014126	10	ChEMBL_907 (CHEMBL615756)	Displacement of [3H]8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells
50014128	5	ChEMBL_34230 (CHEMBL648724)	Binding affinity for rat alpha-2 adrenergic receptor from crude P2 membranes
50048588	1	ChEBML_2464	Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor
50048588	4	ChEMBL_61144 (CHEMBL670681)	Binding affinity towards dopamine receptor D2
50048588	2	ChEBML_3052	Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor
50048588	3	ChEBML_61144	Binding affinity towards dopamine receptor D2
50048588	5	ChEMBL_3052 (CHEMBL620670)	Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor
50048588	6	ChEMBL_2464 (CHEMBL617352)	Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor
50032230	199	ChEMBL_655654 (CHEMBL1244698)	Inhibition of FLT3 autophosphorylation in human RS4-11 cells after 2 hrs by electrochemiluminescence assay
50014197	7	ChEMBL_83647 (CHEMBL693107)	Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells
50014197	6	ChEMBL_83797 (CHEMBL692573)	Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells
50014197	5	ChEMBL_87053 (CHEMBL697326)	Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes
50014197	8	ChEMBL_86756 (CHEMBL693566)	Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes
50048589	1	ChEMBL_215629 (CHEMBL818742)	In vitro antagonist activity at vanilloid receptor in rat dorsal root ganglia (partial at 30 uM)
50048589	2	ChEMBL_215493 (CHEMBL820410)	In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia (partial at 30 uM)
50048589	3	ChEMBL_215631 (CHEMBL820165)	In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.
50048589	4	ChEMBL_215491 (CHEMBL820409)	In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia
50014218	2	ChEMBL_79055 (CHEMBL692690)	In vitro inhibition of Hepatitis C polymerase.
50014400	4	ChEMBL_34220 (CHEMBL648714)	Displacement of [3H]RX-821002 from alpha-2 adrenergic receptor
50035415	3	ChEMBL_43660 (CHEMBL654086)	Inhibitory activity tested against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)
50048590	1	ChEMBL_157784 (CHEMBL857865)	Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligand
50035416	5	ChEMBL_50653 (CHEMBL660703)	Inhibition of Cyclin-dependent kinase 2 cyclin A
50014399	6	ChEMBL_34219 (CHEMBL648713)	Binding affinity at alpha-2 adrenergic receptors of rat.
50048591	1	ChEMBL_54343 (CHEMBL884429)	Inhibitory activity against human DNA topoisomerase II
50014288	4	ChEMBL_90719 (CHEMBL701112)	Inhibition of integrase catalyzed strand transfer (ST) as measured in an in vitro assay
50048592	1	ChEMBL_157048 (CHEMBL765691)	Inhibition of PDE4 from U937 monocytic cells
50014355	2	ChEMBL_144950 (CHEMBL755896)	Inhibitory activity towards Ni-peptide deformylase of Staphylococcus aureus
50048593	1	ChEMBL_100015 (CHEMBL709253)	Binding affinity against human luteinizing releasing hormone receptor cloned in CHO cells
50014422	6	ChEMBL_54377 (CHEMBL666727)	Inhibitory concentration against relaxation activity of DNA topoisomerase II by detecting the conversion of supercoiled pBR322 DNA to its relaxed form
50014422	5	ChEMBL_54378 (CHEMBL666728)	Inhibition of relaxation activities of DNA topoisomerase II with respect to pBR322 DNA
50048594	1	ChEMBL_177039 (CHEMBL779560)	In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat DRG neurons
50014370	6	ChEMBL_156753 (CHEMBL761475)	Inhibitory activity of compound against phosphodiesterase 3 was tested
50014370	7	ChEMBL_155528 (CHEMBL759733)	Inhibition of phosphodiesterase 6
50014370	8	ChEMBL_156175 (CHEMBL760944)	Inhibition of phosphodiesterase 1 of bovine heart
50014437	2	ChEMBL_90868 (CHEMBL699301)	Inhibitory activity against HIV-1 integrase.
50032231	1	ChEMBL_656021 (CHEMBL1245065)	Inhibition of human Cathepsin K
50032231	2	ChEMBL_656005 (CHEMBL1245049)	Inhibition of human Cathepsin S
50032231	3	ChEMBL_656007 (CHEMBL1245051)	Inhibition of human Cathepsin V
50032231	4	ChEMBL_656008 (CHEMBL1245052)	Inhibition of human Chymase
50032231	5	ChEMBL_656009 (CHEMBL1245053)	Inhibition of human Pancreatic elastase 1
50032231	6	ChEMBL_656010 (CHEMBL1245054)	Inhibition of human Neutrophil elastase 2
50032231	7	ChEMBL_656024 (CHEMBL1245068)	Inhibition of human Trypsin activity
50032231	8	ChEMBL_656022 (CHEMBL1245066)	Inhibition of human Cathepsin F
50032231	9	ChEMBL_656023 (CHEMBL1245067)	Inhibition of human Cathepsin B
50032231	10	ChEMBL_656006 (CHEMBL1245050)	Inhibition of human Cathepsin L
50032232	1	ChEMBL_656701 (CHEMBL1245745)	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 45 mg/ml human serum albumin
50032232	2	ChEMBL_656703 (CHEMBL1245747)	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of 1 mg/ml alpha-acid glycoprotein
50032232	3	ChEMBL_656705 (CHEMBL1245749)	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay in presence of alpha-acid glycoprotein and human serum albumin
50032232	4	ChEMBL_656715 (CHEMBL1245759)	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced increase in intracellular calcium level treated 15 mins before agonist challenge measured after 1 hr by FLIPR assay
50032232	5	ChEMBL_656718 (CHEMBL1245762)	Inhibition of CXCR4-mediated chemotaxis in SDF1-stimulated human U937 cells treated 15 mins before SDF1 challenge measured after 2 hrs by luminescence assay
50032232	6	ChEMBL_656725 (CHEMBL1245769)	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 5 mins by FLIPR assay
50032232	7	ChEMBL_656724 (CHEMBL1245768)	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated before agonist challenge measured after 15 mins by FLIPR assay
50032232	8	ChEMBL_656727 (CHEMBL1245771)	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge measured after 45 mins post compound washout by FLIPR assay
50032232	9	ChEMBL_656726 (CHEMBL1245770)	Antagonist activity at human CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1-induced response treated 30 mins before agonist challenge by FLIPR assay
50032232	10	ChEMBL_656728 (CHEMBL1245772)	Antagonist activity at human CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
50032232	11	ChEMBL_656729 (CHEMBL1245773)	Antagonist activity at mouse CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
50032232	12	ChEMBL_656730 (CHEMBL1245774)	Antagonist activity at rat CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
50032232	13	ChEMBL_656731 (CHEMBL1245775)	Antagonist activity at monkey CXCR4 expressed in human U2OS cells assessed as inhibition of SDF1-induced increase in intracellular calcium level by FLIPR assay
50032232	14	ChEMBL_656982 (CHEMBL1246026)	Inhibition of ACE
50032232	15	ChEMBL_656697 (CHEMBL1245741)	Inhibition of HIV1 HXB2 gp120-mediated viral infusion into HEK293 cells after 24 hrs by luciferase reporter gene assay
50032233	1	ChEMBL_659142 (CHEMBL1247087)	Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase
50032234	1	ChEMBL_659569 (CHEMBL1248864)	Inhibition of mature Caspase3
50048595	1	ChEMBL_159259 (CHEMBL764086)	Inhibitory concentration against prostaglandin G/H synthase 1 in mouse peritoneal macrophages
50048595	2	ChEMBL_157846 (CHEMBL878788)	Inhibitory concentration against prostaglandin G/H synthase 2 in mouse peritoneal macrophages
50014444	3	ChEMBL_71739 (CHEMBL680262)	Inhibitory concentration against binding of rat Gonadotropin-releasing hormone receptor using [125I]buserelin
50014445	8	ChEMBL_60018 (CHEMBL675843)	Inhibitory activity against dopamine receptor in rat striatal membranes
50014482	7	ChEMBL_143886 (CHEMBL751869)	Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in CA1 stratum radiatum interneurons
50032235	3	ChEMBL_659672 (CHEMBL1246094)	Inhibition of GST-tagged recombinant LynB after 20 mins by autoradiography
50032235	4	ChEMBL_659673 (CHEMBL1246095)	Inhibition of GST-tagged recombinant Src after 20 mins by autoradiography
50032235	5	ChEMBL_659674 (CHEMBL1246096)	Inhibition of ErbB2 by immunoprecipitation assay
50032235	6	ChEMBL_659675 (CHEMBL1246097)	Inhibition of EGFR by immunoprecipitation assay
50032235	7	ChEMBL_659676 (CHEMBL1246098)	Inhibition of GST-tagged recombinant PLK1 after 20 mins by autoradiography
50048596	1	ChEMBL_68893 (CHEMBL678615)	Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production
50032236	1	ChEMBL_659716 (CHEMBL1246138)	Inhibition of human recombinant caspase 7 assessed as fluorescent 7-amido-4-methylcoumarin release
50032236	2	ChEMBL_659717 (CHEMBL1246139)	Inhibition of human recombinant caspase 3 assessed as fluorescent 7-amido-4-methylcoumarin release
50032237	1	ChEMBL_659853 (CHEMBL1246743)	Inhibition of human cloned catalytic domain of CA12 after 15 mins by stopped-flow CO2 hydration assay
50032237	2	ChEMBL_659852 (CHEMBL1246742)	Inhibition of human cloned catalytic domain of CA9 after 15 mins by stopped-flow CO2 hydration assay
50032237	3	ChEMBL_659851 (CHEMBL1246741)	Inhibition of human cloned CA2 after 15 mins by stopped-flow CO2 hydration assay
50032237	4	ChEMBL_659850 (CHEMBL1246740)	Inhibition of human cloned CA1 after 15 mins by stopped-flow CO2 hydration assay
50032238	1	ChEMBL_657293 (CHEMBL1249120)	Inhibition of AP1 expressed in HEK293 cells assessed as inhibition of PMA-induced transcriptional activation treated 24 hrs before PMA challenge by luciferase reporter gene assay
50032240	1	ChEMBL_657596 (CHEMBL1247197)	Inhibition of 2,3 dioxygenase
50032241	1	ChEMBL_657984 (CHEMBL1248765)	Inhibition of CYP3A4 in human liver microsomes measured immediately
50032241	2	ChEMBL_657965 (CHEMBL1248644)	Inhibition of human recombinant CYP2C9 preincubated for 10 mins
50032241	3	ChEMBL_657985 (CHEMBL1248766)	Inhibition of CYP3A4 in human liver microsomes measured after incubation
50032241	4	ChEMBL_657964 (CHEMBL1248643)	Inhibition of human recombinant CYP2C19 preincubated for 10 mins
50032241	5	ChEMBL_657817 (CHEMBL1248094)	Inhibition of human recombinant CYP1A2 preincubated for 10 mins
50032241	6	ChEMBL_657980 (CHEMBL1248761)	Inhibition of CYP3A4 in human liver microsomes using diethoxyfluorescein/7-benzyloxyquinoline as substrate
50032241	7	ChEMBL_657962 (CHEMBL1248641)	Inhibition of CYP3A4 in human liver microsomes using diethoxyfluorescein as substrate
50032241	8	ChEMBL_657961 (CHEMBL1248640)	Inhibition of human recombinant CYPD6 preincubated for 10 mins
50032242	1	ChEMBL_658449 (CHEMBL1247483)	Inhibition of Bacillus subtilis FtsZ polymerization
50032243	1	ChEMBL_658721 (CHEMBL1248462)	Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry
50032243	2	ChEMBL_658720 (CHEMBL1248461)	Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry
50032243	3	ChEMBL_658719 (CHEMBL1248460)	Inhibition of human recombinant LAR after 30 mins by spectrophotometry
50032244	1	ChEMBL_658912 (CHEMBL1246051)	Inhibition of HDAC1
50032244	2	ChEMBL_658913 (CHEMBL1246052)	Inhibition of HDAC2
50032244	3	ChEMBL_658914 (CHEMBL1246053)	Inhibition of HDAC3
50032244	4	ChEMBL_658915 (CHEMBL1246054)	Inhibition of HDAC6
50032244	5	ChEMBL_658916 (CHEMBL1246055)	Inhibition of HDAC10
50048596	2	ChEMBL_68894 (CHEMBL678616)	Inhibition of gamma-secretase activity in H4 human neuroglioma cells by measuring amyloid beta production; Inactive
50032246	1	ChEMBL_658927 (CHEMBL1246066)	Reversible competitive inhibition of human neutrophil elastase by Dixon plot analysis
50014494	3	ChEMBL_159282 (CHEMBL764266)	In vitro inhibitory activity against prostaglandin G/H synthase 1 from ovine
50014532	8	ChEMBL_31425 (CHEMBL645299)	In vitro inhibitory activity against glucagon induced human adenylate cyclase
50014532	7	ChEMBL_31292 (CHEMBL643973)	In vitro inhibitory activity against glucagon induced monkey adenylate cyclase
50014532	6	ChEMBL_31423 (CHEMBL645297)	In vitro inhibitory activity against glucagon induced human adenylate cyclase
50032249	1	ChEMBL_659313 (CHEMBL1247777)	Binding affinity to adrenergic alpha1A receptor
50032249	2	ChEMBL_659314 (CHEMBL1247778)	Binding affinity to adrenergic Alpha-1B receptor
50032249	3	ChEMBL_659315 (CHEMBL1247779)	Binding affinity to adrenergic Alpha-1D receptor
50032249	4	ChEMBL_659316 (CHEMBL1247780)	Binding affinity to 5HT1E receptor
50032249	5	ChEMBL_659317 (CHEMBL1247781)	Binding affinity to nicotinic alpha3beta2 receptor receptor
50032249	6	ChEMBL_659318 (CHEMBL1247782)	Binding affinity to kappa opioid receptor
50032249	7	ChEMBL_659319 (CHEMBL1247783)	Binding affinity to mu opioid receptor
50035435	43	ChEMBL_71245 (CHEMBL683341)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 9-12 nM
50035435	9	ChEMBL_71110 (CHEMBL686058)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 159-161 nM
50035435	11	ChEMBL_71111 (CHEMBL686059)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 17-21 nM
50035435	18	ChEMBL_71254 (CHEMBL685248)	Effect on functional cellular GR-antagonism (GRAF) in human Glucocorticoid receptor (GR) expressing cells
50035435	34	ChEMBL_71243 (CHEMBL683339)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 70-92 nM
50035435	13	ChEMBL_71118 (CHEMBL686299)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-3 nM
50035435	24	ChEMBL_71228 (CHEMBL682527)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 3-4 nM
50035435	31	ChEMBL_71234 (CHEMBL680301)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 44-53 nM
50035435	14	ChEMBL_71104 (CHEMBL679616)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 1273-2947 nM
50014541	6	ChEMBL_156628 (CHEMBL759873)	Inhibition of phosphodiesterase 3 from rabbit platelets
50014541	4	ChEMBL_155997 (CHEMBL764742)	Inhibition of phosphodiesterase 1 from bovine heart
50014541	7	ChEMBL_155382 (CHEMBL760835)	Inhibition of phosphodiesterase 6 from bovine retina
50014541	5	ChEMBL_156629 (CHEMBL759874)	Inhibition of phosphodiesterase 3 from rabbit platelets
50032250	3	ChEMBL_659329 (CHEMBL1247956)	Inhibition of LCK by HTRF assay
50032250	4	ChEMBL_659330 (CHEMBL1247957)	Inhibition of Abl by HTRF assay
50032250	5	ChEMBL_659331 (CHEMBL1247958)	Inhibition of Tie-2 by HTRF assay
50032250	6	ChEMBL_659332 (CHEMBL1247959)	Inhibition of c-Kit by HTRF assay
50032250	7	ChEMBL_659333 (CHEMBL1247960)	Inhibition of c-Fms by HTRF assay
50032250	8	ChEMBL_659334 (CHEMBL1247961)	Inhibition of KDR by HTRF assay
50032250	9	ChEMBL_659335 (CHEMBL1247962)	Inhibition of Src by HTRF assay
50032250	10	ChEMBL_659336 (CHEMBL1247963)	Inhibition of P38alpha by HTRF assay
50032250	11	ChEMBL_659337 (CHEMBL1247964)	Inhibition of EGFR by HTRF assay
50032250	12	ChEMBL_659338 (CHEMBL1247965)	Inhibition of EphB4 by HTRF assay
50032250	13	ChEMBL_659339 (CHEMBL1247966)	Inhibition of IGFR1 by HTRF assay
50032250	14	ChEMBL_659340 (CHEMBL1247967)	Inhibition of Zap70 by HTRF assay
50032250	15	ChEMBL_659341 (CHEMBL1247968)	Inhibition of Jak2 by HTRF assay
50032250	16	ChEMBL_659342 (CHEMBL1247969)	Inhibition of Jak3 by HTRF assay
50032250	17	ChEMBL_659343 (CHEMBL1247970)	Inhibition of BTK by HTRF assay
50032250	18	ChEMBL_659344 (CHEMBL1247971)	Inhibition of JNK2 by HTRF assay
50032250	19	ChEMBL_659345 (CHEMBL1247972)	Inhibition of p70s6k by HTRF assay
50032250	20	ChEMBL_659346 (CHEMBL1247973)	Inhibition of PLK1 by HTRF assay
50032250	21	ChEMBL_659347 (CHEMBL1247974)	Inhibition of Erk1 by HTRF assay
50032250	22	ChEMBL_659348 (CHEMBL1247975)	Inhibition of PKBalpha by HTRF assay
50032250	23	ChEMBL_659349 (CHEMBL1247976)	Inhibition of CDK5 by HTRF assay
50048597	1	ChEMBL_96878 (CHEMBL709400)	Inhibition of glycogen synthesis in rat skeletal muscle L6 cells
50048597	2	ChEMBL_71123 (CHEMBL686304)	Inhibition of glycogen synthase kinase-3 (GSK3-beta)
50032250	25	ChEMBL_659352 (CHEMBL1247979)	Inhibition of c-Met by HTRF assay
50032250	27	ChEMBL_659355 (CHEMBL1247982)	Inhibition of CDK2 by HTRF assay
50032250	28	ChEMBL_659363 (CHEMBL1247990)	Inhibition of PKBbeta by HTRF assay
50032250	29	ChEMBL_659364 (CHEMBL1247991)	Inhibition of MSK1 by HTRF assay
50032251	1	ChEMBL_659436 (CHEMBL1248346)	Displacement of fluorescent SM5F peptide from His-tagged human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50032251	2	ChEMBL_659380 (CHEMBL1248007)	Displacement of fluorescent SM5F peptide from His-tagged human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50032251	3	ChEMBL_659379 (CHEMBL1248006)	Displacement of fluorescent SM5F peptide from His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50014551	4	ChEMBL_41758 (CHEMBL652583)	Compound was tested for inhibition of CCL3 binding to chemokine receptor-1; inactive at a concentration of 32 uM
50048598	1	ChEMBL_157822 (CHEMBL769426)	Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages
50014557	3	ChEMBL_72895 (CHEMBL684062)	Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50
50014563	8	ChEMBL_210690 (CHEMBL817288)	Inhibitory activity of compound against human tryptase was determined
50035437	9	ChEMBL_210691 (CHEMBL817289)	Inhibitory activity against human tryptase
50032253	1	ChEMBL_659615 (CHEMBL1249049)	Inhibition of human AChE by Ellmans test
50032255	1	ChEMBL_659926 (CHEMBL1247184)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scintillation counting
50032255	2	ChEMBL_659927 (CHEMBL1247185)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scintillation counting
50032255	3	ChEMBL_659928 (CHEMBL1247186)	Inhibition of GLUT1-mediated [3H]2-deoxy-glucose uptake in rat L6 cells after 15 mins by liquid scintillation counting
50032256	1	ChEMBL_659951 (CHEMBL1247352)	Binding affinity to human histamine H4 receptor
50032256	2	ChEMBL_659950 (CHEMBL1247351)	Binding affinity to human histamine H2 receptor
50032256	3	ChEMBL_659946 (CHEMBL1247347)	Displacement of [3H](R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting
50032256	4	ChEMBL_659947 (CHEMBL1247348)	Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50032256	5	ChEMBL_659949 (CHEMBL1247350)	Binding affinity to human histamine H1 receptor
50032256	6	ChEMBL_659954 (CHEMBL1247355)	Inhibition of CYP1A2
50032256	7	ChEMBL_659955 (CHEMBL1247356)	Inhibition of CYP2C19
50032256	8	ChEMBL_659956 (CHEMBL1247357)	Inhibition of CYP2D6
50032256	9	ChEMBL_659957 (CHEMBL1247358)	Inhibition of CYP3A4
50032257	1	ChEMBL_659958 (CHEMBL1247359)	Inhibition of porcine erythrocyte calpain 1
50032257	2	ChEMBL_659959 (CHEMBL1247360)	Inhibition of porcine kidney calpain 2
50032257	3	ChEMBL_659960 (CHEMBL1247361)	Inhibition of human liver cathepsin B
50032258	1	ChEMBL_659986 (CHEMBL1247387)	Inhibition of ovine COX1 by chemiluminescence assay
50032258	2	ChEMBL_659985 (CHEMBL1247386)	Inhibition of ovine COX2 by chemiluminescence assay
50032259	1	ChEMBL_657369 (CHEMBL1246345)	Inhibition of Toxoplasma gondii enoyl reductase
50032260	1	ChEMBL_657398 (CHEMBL1246374)	Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine by amplex red assay
50032260	2	ChEMBL_657399 (CHEMBL1246375)	Inhibition of human recombinant MAOB expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine by amplex red assay
50014569	4	ChEMBL_3955 (CHEMBL618053)	In vitro inhibitory activity against 5-lipoxygenase in an RBL-2H3 cell lysate
50035439	4	ChEMBL_67671 (CHEMBL673864)	Ability to activate estrogen receptor 2-mediated transcription.
50035439	5	ChEMBL_67682 (CHEMBL682169)	Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.
50035439	6	ChEMBL_67365 (CHEMBL676819)	Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.
50035439	2	ChEMBL_67350 (CHEMBL676806)	Ability to activate estrogen receptor 1-mediated transcription.
50035443	7	ChEMBL_87707 (CHEMBL877727)	Inhibitory activity against histone deacetylases (HDAC) prepared from mouse melanoma B16/BL6 cells
50014616	4	ChEMBL_31412 (CHEMBL644555)	Binding affinity for human adenosine A3 receptor expressed in HEK293 cells
50014705	2	ChEMBL_156600 (CHEMBL759682)	Inhibition of human platelet phosphodiesterase 3
50048599	1	ChEMBL_63920 (CHEMBL677327)	Antibacterial activity against gram positive bacteria Enterococcus faecalis was determined by twofold Micro-broth dilution assay
50035445	13	ChEMBL_146985 (CHEMBL757523)	Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum
50035445	7	ChEMBL_146986 (CHEMBL757524)	Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum
50035445	2	ChEMBL_147054 (CHEMBL753281)	Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.
50035445	14	ChEMBL_145776 (CHEMBL753432)	Compound was tested for opioid receptor delta 1 agonism or antagonism in mouse vas deferens
50048600	1	ChEMBL_158147 (CHEMBL767952)	Tested for Prostaglandin synthetase inhibition in Bovine seminal vesicle microsomes using Beckman liquid scintillation counter at 10 e-5 M
50018115	48	ChEMBL_2264708	Inhibition of CDK5 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	49	ChEMBL_2264709	Inhibition of CDK6 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	50	ChEMBL_2264710	Inhibition of CDK7 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	51	ChEMBL_2264711	Inhibition of CDK8 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	52	ChEMBL_2264712	Inhibition of CDK12 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	53	ChEMBL_2264713	Inhibition of CDK13 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	54	ChEMBL_2264714	Inhibition of CDK14 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	55	ChEMBL_2264715	Inhibition of CDK16 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	56	ChEMBL_2264716	Inhibition of CDK17 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	57	ChEMBL_2264717	Inhibition of CDK18 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50048602	1	ChEMBL_155708 (CHEMBL760586)	Inhibition of rat lung cAMP-phosphodiesterase
50003564	4	ChEMBL_196794 (CHEMBL799737)	Ability to inhibit simian virus reverse transcriptase, expressed as log Ki.
50048603	1	ChEMBL_211665 (CHEMBL821417)	Binding affinity against tubulin using [3H]colchicine as radioligand
50048603	2	ChEMBL_211669 (CHEMBL821421)	Binding affinity against tubulin usingf [3H]-colchicine as radioligand
50032262	1	ChEMBL_657428 (CHEMBL1246404)	Inhibition of His-tagged human MTAP
50032263	1	ChEMBL_657431 (CHEMBL1246407)	Inhibition of MNK1
50032263	2	ChEMBL_657433 (CHEMBL1246545)	Inhibition of MNK2
50032263	3	ChEMBL_657459 (CHEMBL1246571)	Inhibition of SGK1
50032263	4	ChEMBL_657458 (CHEMBL1246570)	Inhibition of FLT3
50048604	1	ChEMBL_60030 (CHEMBL672126)	Displacement of [3H]spiroperidol from dopamine receptor of rat corpus striatum homogenate
50032266	1	ChEMBL_657899 (CHEMBL1248423)	Inhibition of human GST fused Pim3 expressed in Escherichia coli after 30 mins
50032266	2	ChEMBL_657900 (CHEMBL1248424)	Inhibition of human GST fused Pim2 expressed in Escherichia coli after 30 mins
50032266	3	ChEMBL_658036 (CHEMBL1248948)	Inhibition of human GST fused Pim1 expressed in Escherichia coli after 30 mins
50032267	1	ChEMBL_658044 (CHEMBL1248956)	Inhibition of mushroom tyrosinase after 30 mins
50032267	2	ChEMBL_658045 (CHEMBL1248957)	Competitive inhibition of mushroom tyrosinase after 30 mins by Lineweaver-Burke double reciprocal plot analysis
50032268	1	ChEMBL_658093 (CHEMBL1249158)	Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay
50032269	1	ChEMBL_658096 (CHEMBL1249161)	Inhibition of Yersinia pestis YOpH
50032269	2	ChEMBL_658097 (CHEMBL1249162)	Inhibition of PTP1B
50032269	3	ChEMBL_658098 (CHEMBL1249163)	Inhibition of TCPTP
50032269	4	ChEMBL_658099 (CHEMBL1249164)	Inhibition of HePTP
50032270	1	ChEMBL_658253 (CHEMBL1246645)	Inhibition of EGFR autophosphorylation in human A431 cells
50032270	2	ChEMBL_658103 (CHEMBL1249168)	Inhibition of EGFR
50032271	1	ChEMBL_658294 (CHEMBL1246851)	Inhibition of sheep COX2 by spectrophotometry
50032271	2	ChEMBL_658293 (CHEMBL1246850)	Inhibition of sheep COX1 by spectrophotometry
50048605	1	ChEMBL_30267 (CHEMBL642920)	Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes
50048605	2	ChEMBL_38885 (CHEMBL652716)	Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes
50048605	3	ChEMBL_60164 (CHEMBL675711)	Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes
50032272	2	ChEMBL_658326 (CHEMBL1247037)	Inhibition of human ERG by patch clamp technique
50032273	2	ChEMBL_658520 (CHEMBL1247722)	Inhibition of human ERG by patch clamp method
50032273	3	ChEMBL_658521 (CHEMBL1247723)	Binding affinity to human recombinant adenosine 2a receptor
50032273	4	ChEMBL_658522 (CHEMBL1247724)	Binding affinity to human recombinant adenosine 3 receptor
50032273	5	ChEMBL_658524 (CHEMBL1247726)	Binding affinity to human recombinant adrenergic beta-1 receptor
50032273	7	ChEMBL_658526 (CHEMBL1247728)	Binding affinity to human recombinant adrenergic beta3 receptor
50032273	8	ChEMBL_658527 (CHEMBL1247729)	Binding affinity to human recombinant alpha 1a receptor
50032273	9	ChEMBL_658528 (CHEMBL1247730)	Binding affinity to human recombinant alpha-2a receptor
50032273	11	ChEMBL_658530 (CHEMBL1247732)	Binding affinity to human recombinant alpha2c receptor
50032273	12	ChEMBL_658531 (CHEMBL1247733)	Binding affinity to human recombinant androgen receptor
50032273	13	ChEMBL_658532 (CHEMBL1247734)	Binding affinity to human recombinant angiotensin2 AT1 receptor
50032273	14	ChEMBL_658534 (CHEMBL1247736)	Binding affinity to human recombinant bradykinin B1 receptor
50032273	15	ChEMBL_658535 (CHEMBL1247737)	Binding affinity to human recombinant bradykinin B2 receptor
50032273	16	ChEMBL_658538 (CHEMBL1247740)	Binding affinity to human recombinant cannabinoid 1 receptor
50032273	17	ChEMBL_658539 (CHEMBL1247741)	Binding affinity to human recombinant cholecystokinin A receptor
50032273	18	ChEMBL_658540 (CHEMBL1247742)	Binding affinity to human recombinant cholecystokinin B receptor
50032273	20	ChEMBL_658542 (CHEMBL1247744)	Binding affinity to human recombinant COX2
50032273	21	ChEMBL_658543 (CHEMBL1247745)	Binding affinity to human recombinant CRF1 receptor
50032273	22	ChEMBL_658544 (CHEMBL1247746)	Binding affinity to human recombinant CRF2alpha receptor
50032273	23	ChEMBL_658545 (CHEMBL1247747)	Binding affinity to human recombinant dopamine D1 receptor
50032273	24	ChEMBL_658546 (CHEMBL1247748)	Binding affinity to human recombinant dopamine D2 receptor
50032273	25	ChEMBL_658547 (CHEMBL1247880)	Binding affinity to human recombinant dopamine D3 receptor
50032273	26	ChEMBL_658549 (CHEMBL1247882)	Binding affinity to human recombinant dopamine transporter
50032273	27	ChEMBL_658550 (CHEMBL1247883)	Binding affinity to human recombinant endothelin A receptor
50032273	28	ChEMBL_658551 (CHEMBL1247884)	Binding affinity to human recombinant endothelin B receptor
50032273	29	ChEMBL_658552 (CHEMBL1247885)	Binding affinity to human recombinant ERalpha
50032273	30	ChEMBL_658553 (CHEMBL1247886)	Binding affinity to human recombinant ERbeta
50032273	31	ChEMBL_658555 (CHEMBL1247888)	Binding affinity to rat Gip receptor
50032273	32	ChEMBL_658556 (CHEMBL1247889)	Binding affinity to human recombinant glucagon receptor
50032273	33	ChEMBL_658557 (CHEMBL1247890)	Binding affinity to human recombinant glucocorticoid receptor
50032273	34	ChEMBL_658558 (CHEMBL1247891)	Binding affinity to human recombinant Ghrelin receptor
50032273	35	ChEMBL_658559 (CHEMBL1247892)	Binding affinity to human recombinant histamine H1 receptor
50032273	36	ChEMBL_658560 (CHEMBL1247893)	Binding affinity to human recombinant histamine H2 receptor
50032273	37	ChEMBL_658561 (CHEMBL1247894)	Binding affinity to human recombinant histamine H3 receptor
50032273	39	ChEMBL_658563 (CHEMBL1247896)	Binding affinity to human recombinant melanocortin MC4 receptor
50032273	40	ChEMBL_658564 (CHEMBL1247897)	Binding affinity to human recombinant MAOM
50032273	41	ChEMBL_658565 (CHEMBL1247898)	Binding affinity to human recombinant motilin receptor
50032273	42	ChEMBL_658566 (CHEMBL1247899)	Binding affinity to human recombinant muscarinic M1 receptor
50032273	43	ChEMBL_658567 (CHEMBL1247900)	Binding affinity to human recombinant muscarinic M2 receptor
50032273	44	ChEMBL_658568 (CHEMBL1247901)	Binding affinity to human recombinant muscarinic M3 receptor
50032273	45	ChEMBL_658569 (CHEMBL1247902)	Binding affinity to human recombinant neurokinin NK1 receptor
50032273	46	ChEMBL_658570 (CHEMBL1247903)	Binding affinity to human recombinant neuropeptide Y1 receptor
50032273	47	ChEMBL_658571 (CHEMBL1247904)	Binding affinity to human recombinant neuropeptide Y2 receptor
50032273	48	ChEMBL_658572 (CHEMBL1247905)	Binding affinity to human recombinant neurotensin NT1 receptor
50032273	49	ChEMBL_658573 (CHEMBL1247906)	Binding affinity to human recombinant niacin receptor
50032273	50	ChEMBL_658576 (CHEMBL1247909)	Binding affinity to human recombinant norepinephrine transporter
50032273	52	ChEMBL_658578 (CHEMBL1247911)	Binding affinity to human recombinant opiate kappa receptor
50032273	53	ChEMBL_658579 (CHEMBL1247912)	Binding affinity to human recombinant opiate mu receptor
50032273	54	ChEMBL_658581 (CHEMBL1247914)	Binding affinity to human recombinant PDE4D
50032273	55	ChEMBL_658582 (CHEMBL1247915)	Binding affinity to human recombinant serotonin 5-HT1A receptor
50032273	56	ChEMBL_658583 (CHEMBL1247916)	Binding affinity to human recombinant serotonin 5-HT2A receptor
50032273	57	ChEMBL_658584 (CHEMBL1247917)	Binding affinity to human recombinant serotonin 5-HT2B receptor
50032273	58	ChEMBL_658585 (CHEMBL1247918)	Binding affinity to human recombinant serotonin 5HT2C receptor
50032273	59	ChEMBL_658586 (CHEMBL1247919)	Binding affinity to human recombinant serotonin 5HT3 receptor
50032273	60	ChEMBL_658587 (CHEMBL1247920)	Binding affinity to human recombinant serotonin transporter
50032273	61	ChEMBL_658588 (CHEMBL1247921)	Binding affinity to human recombinant thromboxane A2 receptor
50032273	62	ChEMBL_658589 (CHEMBL1247922)	Binding affinity to human recombinant vasopressin V1a receptor
50032273	63	ChEMBL_658590 (CHEMBL1247923)	Binding affinity to human recombinant vasopressin V2 receptor
50048606	1	ChEMBL_147654 (CHEMBL756569)	Tested for Opioid receptors affinity determined by the capacity to displace bound, radiolabeled dihydromorphine from rat brain homogenates.
50048607	1	ChEMBL_147642 (CHEMBL757326)	Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogenates
50048608	1	ChEMBL_158164 (CHEMBL766127)	Compound was tested for inhibition of prostaglandin synthetase when administered perorally
50048609	1	ChEMBL_33981 (CHEMBL645246)	Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain
50048609	2	ChEMBL_60007 (CHEMBL879561)	Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain
50048609	3	ChEMBL_138784 (CHEMBL747412)	Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain
50048610	1	ChEMBL_59578 (CHEMBL672929)	Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from calf caudate.
50048610	2	ChEMBL_59877 (CHEMBL673003)	Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from rat corpus striatum.
50048611	1	ChEMBL_60014 (CHEMBL675839)	Inhibition of [3H]spiroperidol binding to rat striatal membrane using 0.5 nM ligand.
50048612	1	ChEMBL_31571 (CHEMBL644534)	Inhibitory concentration against Dopamine sensitive adenylate cyclase in rats
50048612	2	ChEMBL_31583 (CHEMBL646377)	Inhibitory activity against Dopamine sensitive adenylate cyclase in rats
50048613	1	ChEMBL_59592 (CHEMBL672941)	Inhibition of [3H]dopamine binding to Dopamine receptor in calf caudate nuclei.
50048613	2	ChEMBL_59593 (CHEMBL672942)	Inhibition of [3H]haloperidol binding to Dopamine receptor in calf caudate nuclei.
50048614	1	ChEMBL_147481 (CHEMBL755153)	Inhibition of Opioid receptors with [3H]naloxone binding in the absence of NaCl
50048614	2	ChEMBL_147482 (CHEMBL755154)	Inhibition of Opioid receptors binding by inhibiting specific [3H]naloxone binding by 50% in the presence of 100 mM NaCl
50035456	2	ChEMBL_36887 (CHEMBL648347)	Concentration required for 50% inhibition of Angiotensin I converting enzyme
50035457	3	ChEMBL_152417 (CHEMBL763764)	The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase
50041090	2	ChEMBL_89668 (CHEMBL697162)	Inhibition of inosine monophosphate dehydrogenase in Escherichia coli
50048615	1	ChEMBL_38754 (CHEMBL651861)	Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)
50018115	58	ChEMBL_2264718	Inhibition of CDK19 (unknown origin) incubated for 120 mins in presence of ATP by HotSpot kinase assay
50018115	59	ChEMBL_2264720	Inhibition of CDK2/cyclin A (unknown origin) using GST-CTD and gamma-32P-ATP as substrate incubated for 5 min by Differential scanning fluorimetry
50018115	60	ChEMBL_2264721	Inhibition of CDK1/cyclin B1 (unknown origin)
50018115	61	ChEMBL_2264722	Inhibition of CDK2/cyclin E (unknown origin)
50018115	62	ChEMBL_2264723	Inhibition of CDK5/p35 (unknown origin)
50018115	63	ChEMBL_2264724	Inhibition of GST tagged human CDK2/Cyclin E expressed in baculovirus expression system assessed as substrate phosphorylation incubated for 45 mins using GST tagged retinoblastoma and ATP as substrate by liquid scintillation counter analysis
50018115	64	ChEMBL_2264725	Inhibition of CDK2/Cyclin A (unknown origin)
50018115	65	ChEMBL_2264730	Inhibition of CDK9 (unknown origin) by LANCE ULight TR-FRET assay
50018115	66	ChEMBL_2264731	Inhibition of CDK1 (unknown origin) by LANCE ULight TR-FRET assay
50018115	67	ChEMBL_2264732	Inhibition of CDK2 (unknown origin) by LANCE ULight TR-FRET assay
50018115	68	ChEMBL_2264733	Inhibition of CDK4 (unknown origin) by LANCE ULight TR-FRET assay
50018115	69	ChEMBL_2264734	Inhibition of CDK6 (unknown origin) by LANCE ULight TR-FRET assay
50018115	70	ChEMBL_2264735	Inhibition of CDK7 (unknown origin) by LANCE ULight TR-FRET assay
50018115	71	ChEMBL_2264736	Inhibition of CDK8 (unknown origin) by LANCE ULight TR-FRET assay
50018115	72	ChEMBL_2264737	Inhibition of CDK9 (unknown origin) using TMB as substrate by ELISA
50018115	73	ChEMBL_2264739	Inhibition of CDK9 in human HCT-116 cells assessed as decrease in substrate phosphorylation using RB as substrate measured after 6 hrs by western blot analysis
50018115	74	ChEMBL_2264740	Inhibition of CDK9 in human HCT-116 cells assessed as decrease in substrate phosphorylation using FAK as substrate measured after 6 hrs by western blot analysis
50018115	75	ChEMBL_2264741	Inhibition of CDK9 in human HCT-116 cells assessed as decrease in substrate phosphorylation using RPB1 as substrate measured after 6 hrs by western blot analysis
50018116	1	ChEMBL_2264748	Inhibition of TRKA (unknown origin)
50018116	2	ChEMBL_2264749	Inhibition of FLT3 (unknown origin)
50018116	3	ChEMBL_2264750	Inhibition of JAK2 (unknown origin)
50048616	1	ChEMBL_30258 (CHEMBL642911)	Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate
50048616	2	ChEMBL_38735 (CHEMBL647418)	Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate
50048617	1	ChEMBL_34598 (CHEMBL645557)	Compound was evaluated for inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat forebrain homogenate.
50048618	1	ChEMBL_147510 (CHEMBL754406)	Compound was tested for its ability to displace [3H]- naloxone] from Opioid receptors in presence of NaCl (100 mM)
50048618	2	ChEMBL_147512 (CHEMBL754408)	Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in presence of NaCl (100 mM)
50048618	3	ChEMBL_147511 (CHEMBL754407)	Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in absence of NaCl
50048618	4	ChEMBL_147509 (CHEMBL754405)	Compound was tested for its ability to displace [3H]- naloxone] from Opioid receptors in absence of NaCl
50035467	2	ChEMBL_30975 (CHEMBL873052)	Compound was evaluated for the inhibition of adenosine deaminase
50048619	1	ChEMBL_54925 (CHEMBL857514)	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)
50048620	1	ChEMBL_43125 (CHEMBL654452)	Inhibition of [3H]spiroperidol binding to calf caudate membrane preparation (p4)
50048620	2	ChEMBL_43124 (CHEMBL884268)	Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)
50048621	1	ChEMBL_177015 (CHEMBL779304)	In vitro inhibition of prostaglandin synthesis was tested in rat
50048622	1	ChEMBL_54733 (CHEMBL668773)	Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli
50048622	2	ChEMBL_53943 (CHEMBL668662)	Inhibition of dihydrofolate reductase from bovine liver
50035471	3	ChEMBL_52523 (CHEMBL872484)	Binding affinity against cytidine deaminase of human liver
50035471	4	ChEMBL_52526 (CHEMBL665298)	Binding affinity against cytidine deaminase of mouse kidney
50048623	1	ChEMBL_147508 (CHEMBL754404)	Binding affinity to opioid receptors by the displacement of [3H]fentanyl in rat brain homogenates
50048624	1	ChEMBL_147649 (CHEMBL758068)	Compound was evaluated for the inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the presence of Na
50048624	2	ChEMBL_147648 (CHEMBL757860)	Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na
50048624	3	ChEMBL_147646 (CHEMBL757858)	Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the absence of Na
50048624	4	ChEMBL_147647 (CHEMBL757859)	Compound was evaluated for the inhibition of [3H]- naloxone Opioid receptors binding using rat brain membrane in the presence of 100 mM Na
50048624	5	ChEMBL_147650 (CHEMBL758069)	Compound was evaluated for the inhibition of [3H]- naloxone opiate receptor binding using rat brain membrane in the absence of Na
50048625	1	ChEMBL_138785 (CHEMBL747413)	Concentration required (in vitro) to displace 50% specific binding of [3H]clozapine to Muscarinic acetylcholine receptor in rat brain
50048625	2	ChEMBL_60023 (CHEMBL675848)	Relative affinity for dopamine receptor by displacement of [3H]spiroperidol (2.2 nM) from (in vitro) dopamine binding sites in rat caudate nuclei
50004123	2	ChEMBL_54894 (CHEMBL664703)	Concentration required to inhibit Lactobacillus casei derived Dihydrofolate reductase activity by 50%
50048626	1	ChEMBL_59579 (CHEMBL672930)	Compound was tested for its ability to displace [3H]spiroperidol from dopamine receptor
50048626	2	ChEMBL_59601 (CHEMBL672158)	compound was tested for its ability to displace [3H]- spiroperidol from dopamine receptor.
50048627	1	ChEMBL_32400 (CHEMBL648036)	Compound was tested for the inhibition of [3H]prazosin binding Alpha-1 adrenergic receptor of crude rat brain membrane.
50048627	2	ChEMBL_34493 (CHEMBL647205)	Compound was tested for the inhibition of [3H]clonidine binding Alpha-2 adrenergic receptor of crude rat brain membrane
50032285	1	ChEMBL_661423 (CHEMBL1252883)	Inhibition of yeast Guf1
50032286	1	ChEMBL_661466 (CHEMBL1252964)	Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA
50032286	2	ChEMBL_661478 (CHEMBL1253009)	Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells at acidic pH by ELISA
50032287	1	ChEMBL_662543 (CHEMBL1253058)	Inhibition of S6K1
50032287	2	ChEMBL_662179 (CHEMBL1252170)	Inhibition of AKT1
50032287	3	ChEMBL_662180 (CHEMBL1252171)	Inhibition of myristoylated wild type AKT1 expressed in HEK293T cells by in vitro immunoprecipitation kinase assay
50032287	4	ChEMBL_662182 (CHEMBL1252173)	Inhibition of myristoylated wild type AKT2 expressed in HEK293T cells by in vitro immunoprecipitation kinase assay
50032287	5	ChEMBL_662184 (CHEMBL1252175)	Inhibition of myristoylated wild type AKT3 expressed in HEK293T cells by in vitro immunoprecipitation kinase assay
50032288	1	ChEMBL_662792 (CHEMBL1252531)	Displacement of [3H]Lys0-des-Arg9-BK at human bradykinin B1 receptor expressed in HEK293 cells
50032288	2	ChEMBL_662793 (CHEMBL1252532)	Inhibition of rabbit bradykinin B1 receptor
50032288	3	ChEMBL_662795 (CHEMBL1252534)	Antagonist activity at human bradykinin B1 receptor in human MR5 cells assessed as [3H]inositol phosphate accumulation
50032288	4	ChEMBL_662797 (CHEMBL1252536)	Antagonist activity at dog bradykinin B1 receptor
50032288	5	ChEMBL_662794 (CHEMBL1252533)	Inhibition of rat bradykinin B1 receptor
50032288	6	ChEMBL_662796 (CHEMBL1252535)	Binding affinity to human bradykinin B1 receptor
50032288	7	ChEMBL_662799 (CHEMBL1252538)	Binding affinity to mouse bradykinin B1 receptor
50032288	8	ChEMBL_662800 (CHEMBL1252539)	Binding affinity to monkey bradykinin B1 receptor
50032288	9	ChEMBL_662798 (CHEMBL1252537)	Binding affinity to rat bradykinin B1 receptor
50032289	1	ChEMBL_661528 (CHEMBL1253092)	Inhibition of thymine synthase
50032289	2	ChEMBL_661529 (CHEMBL1253093)	Inhibition of DHFR
50032289	3	ChEMBL_661531 (CHEMBL1253095)	Inhibition of GARFT
50032289	4	ChEMBL_661530 (CHEMBL1253094)	Inhibition of human Thymidylate synthase by uncompetitive binding
50032289	5	ChEMBL_661532 (CHEMBL1253096)	Inhibition of human Thymidylate synthase by noncompetitive binding
50032289	6	ChEMBL_661533 (CHEMBL1253097)	Inhibition of ERalpha expressed in human tumor cells
50032290	1	ChEMBL_661536 (CHEMBL1253100)	Displacement of [3H]-oxytocin from oxytocin receptor in human uterus tissue
50032290	2	ChEMBL_661556 (CHEMBL1253120)	Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in CHO cells
50032290	3	ChEMBL_661553 (CHEMBL1253117)	Displacement of [3H]vasopressin from human vasopressin V1a receptor expressed in CHO cells
50032290	4	ChEMBL_661557 (CHEMBL1253121)	Displacement of [3H]vasopressin from rat vasopressin V1a receptor expressed in CHO cells
50032290	5	ChEMBL_661559 (CHEMBL1253123)	Displacement of [3H]vasopressin from human vasopressin V2 receptor expressed in CHO cells
50032290	6	ChEMBL_661558 (CHEMBL1253122)	Displacement of [3H]vasopressin from rat vasopressin V2 receptor expressed in CHO cells
50032290	7	ChEMBL_661541 (CHEMBL1253105)	Displacement of [3H]vasopressin from vasopressin V2 receptor in rat kidney tissue
50032290	8	ChEMBL_661572 (CHEMBL1253136)	Displacement of [3H]vasopressin from rat vasopressin V1b receptor expressed in CHO cells
50032290	9	ChEMBL_661552 (CHEMBL1253116)	Displacement of [3H]-oxytocin from human oxytocin receptor expressed in CHO cells
50032290	10	ChEMBL_661540 (CHEMBL1253104)	Displacement of [3H]vasopressin from vasopressin V2 receptor in human kidney tissue
50032290	11	ChEMBL_661538 (CHEMBL1253102)	Displacement of [3H]vasopressin from vasopressin V1a receptor in human liver tissue
50032290	12	ChEMBL_661577 (CHEMBL1253141)	Displacement of [3H]-oxytocin from human oxytocin receptor expressed in HEK293-EBNA cells
50032290	13	ChEMBL_661537 (CHEMBL1253101)	Displacement of [3H]-oxytocin from oxytocin receptor in rat uterus tissue
50032290	14	ChEMBL_661539 (CHEMBL1253103)	Displacement of [3H]vasopressin from vasopressin V1a receptor in rat liver tissue
50032290	15	ChEMBL_661576 (CHEMBL1253140)	Displacement of [3H]vasopressin from human vasopressin V1b receptor expressed in CHO cells
50032290	16	ChEMBL_661578 (CHEMBL1253142)	Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in HEK293-EBNA cells
50032290	17	ChEMBL_661560 (CHEMBL1253124)	Displacement of [3H]vasopressin from human vasopressin V1a receptor expressed in CHO cells at 10 uM
50032291	1	ChEMBL_661592 (CHEMBL1251526)	Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells
50032291	2	ChEMBL_661593 (CHEMBL1251527)	Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells
50032291	3	ChEMBL_661596 (CHEMBL1251530)	Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50032291	4	ChEMBL_661595 (CHEMBL1251529)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50032292	1	ChEMBL_661606 (CHEMBL1251540)	Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay
50032293	1	ChEMBL_661762 (CHEMBL1251995)	Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay
50032294	1	ChEMBL_661768 (CHEMBL1252001)	Inhibition of GST-SIRT1 after 1 hr by Fluor de Lys fluorescence assay
50032294	2	ChEMBL_661769 (CHEMBL1252002)	Inhibition of GST-SIRT2 after 1 hr by Fluor de Lys fluorescence assay
50032295	1	ChEMBL_661797 (CHEMBL1252113)	Antagonist activity at mGlu2 receptor expressed in CHO cells assessed as increase of cAMP level
50048627	3	ChEMBL_33766 (CHEMBL651974)	Compound was tested for the inhibition of [3H]prazosin binding Alpha-1 adrenergic receptor of crude rat brain membrane.
50048627	4	ChEMBL_33767 (CHEMBL651975)	Compound was tested for the inhibition of [3H]prazosin binding Alpha-2 adrenergic receptor of crude rat brain membrane.
50032295	3	ChEMBL_661796 (CHEMBL1252112)	Agonist activity at mGlu2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level
50032295	4	ChEMBL_661798 (CHEMBL1252114)	Agonist activity at mGlu4 receptor expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP level
50032296	1	ChEMBL_662813 (CHEMBL1252213)	Inhibition of recombinant IGF1R by ELISA
50032297	1	ChEMBL_662814 (CHEMBL1252214)	Inhibition of sheep COX1
50032297	2	ChEMBL_662815 (CHEMBL1252215)	Inhibition of sheep COX2
50032298	1	ChEMBL_662819 (CHEMBL1252219)	Inhibition of CYP27A1 expressed in CHO cells
50032298	2	ChEMBL_662817 (CHEMBL1252217)	Inhibition of CYP24A1 in rat kidney mitochondria
50032298	3	ChEMBL_662818 (CHEMBL1252218)	Inhibition of CYP24A1 expressed in CHO cells
50032299	1	ChEMBL_662857 (CHEMBL1252257)	Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells after 20 mins by spectrofluorimetric analysis
50032299	2	ChEMBL_662858 (CHEMBL1252258)	Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells after 20 mins by spectrofluorimetric analysis
50032300	1	ChEMBL_662926 (CHEMBL1252087)	Displacement of [125I]iodotyrosyl from human SST5 receptor expressed in CHO cells
50032300	2	ChEMBL_662927 (CHEMBL1252088)	Displacement of [I125I]MCH from human MCH1 receptor expressed in CHO cells by scintillation counting
50032300	3	ChEMBL_662923 (CHEMBL1252084)	Displacement of [125I]iodotyrosyl from human SST2 receptor expressed in CHO cells
50032300	4	ChEMBL_662922 (CHEMBL1252083)	Displacement of [125I]iodotyrosyl from human SST1 receptor expressed in CHO cells
50032300	5	ChEMBL_662924 (CHEMBL1252085)	Displacement of [125I]iodotyrosyl from human SST3 receptor expressed in CHO cells
50032300	6	ChEMBL_662925 (CHEMBL1252086)	Displacement of [125I]iodotyrosyl from human SST4 receptor expressed in CHO cells
50032301	1	ChEMBL_662964 (CHEMBL1250823)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50032301	2	ChEMBL_662962 (CHEMBL1250821)	Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting
50032301	3	ChEMBL_662961 (CHEMBL1250820)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting
50032301	4	ChEMBL_662965 (CHEMBL1250824)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50032302	1	ChEMBL_663024 (CHEMBL1250927)	Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amplex red assay
50032302	2	ChEMBL_663025 (CHEMBL1250928)	Inhibition of human recombinant MAOB expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amplex red assay
50032303	1	ChEMBL_663199 (CHEMBL1251306)	Inhibition of GSK3-beta after 30 mins by luminescence assay
50048627	5	ChEMBL_32401 (CHEMBL648037)	Compound was tested for the inhibition of [3H]prazosin binding alpha-1-adrenergic receptor of crude rat brain membrane.
50032305	1	ChEMBL_663241 (CHEMBL1251348)	Inhibition of p38alpha MAP kinase
50032306	1	ChEMBL_663342 (CHEMBL1250590)	Inhibition of human MDR1 expressed in mouse NIH3T3 cells assessed as inhibition of drug efflux by flow cytometry
50048628	1	ChEMBL_147480 (CHEMBL755152)	Ability to displace [3H]etorphine from Opioid receptors in guinea pig brain
50048629	1	ChEMBL_60031 (CHEMBL672127)	Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane
50048629	2	ChEMBL_138918 (CHEMBL746568)	Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane
50048629	3	ChEMBL_139743 (CHEMBL743996)	The ability to displace [3H]QNB from Muscarinic acetylcholine receptor in rat brain membrane was determined
50048630	1	ChEMBL_177939 (CHEMBL785010)	Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane
50035476	2	ChEMBL_29907 (CHEMBL641978)	Inhibitory activity against rat Adenylate kinase M isoenzyme was determined in the presence of ATP, Competitive inhibition
50035476	16	ChEMBL_32055 (CHEMBL874426)	Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition
50035477	14	ChEMBL_160255 (CHEMBL767869)	Inhibition of rat muscle pyruvate kinase (PK-M)
50035477	12	ChEMBL_160381 (CHEMBL765727)	Inhibition of rat muscle pyruvate kinase (PK-M) at 6.7 mM
50035477	11	ChEMBL_160243 (CHEMBL767857)	Inhibition of rat kidney pyruvate kinase (PK-K) at 6.7 mM
50048631	1	ChEMBL_147491 (CHEMBL754238)	Concentration required to inhibit [3H]naltrexone binding to Opioid receptors
50048632	1	ChEMBL_147492 (CHEMBL754239)	Concentration required to inhibit the stereospecific [3H]diprenorphine binding Opioid receptors in the absence of sodium(Na+) was determined in mouse isolated vas deferens
50048632	2	ChEMBL_147493 (CHEMBL754240)	Concentration required to inhibit the stereospecific [3H]diprenorphine binding Opioid receptors in the presence of sodium(Na+) was determined in mouse isolated vas deferens
50048633	1	ChEMBL_32315 (CHEMBL646332)	The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membrane
50048633	2	ChEMBL_32316 (CHEMBL646333)	Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes
50035482	2	ChEMBL_76213 (CHEMBL687941)	Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum
50035483	17	ChEMBL_148372 (CHEMBL757367)	Inhibition of [3H]naloxone binding to Opioid receptor mu 1 in rat brain homogenate
50035483	18	ChEMBL_147316 (CHEMBL755709)	Inhibition of [3H]naloxone binding to Opioid receptor mu 1 in rat brain homogenate
50048634	1	ChEMBL_59597 (CHEMBL672154)	Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain.
50048634	2	ChEMBL_59594 (CHEMBL672151)	Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain
50048634	3	ChEMBL_59595 (CHEMBL672152)	Inhibitory binding activity against dopamine receptor using [3H]ADTN as the radioligand in striatal tissue of calf brain.
50048634	4	ChEMBL_59596 (CHEMBL672153)	Inhibitory binding activity against dopamine receptor using [3H]spiperone as the radioligand in striatal tissue of calf brain
50048635	1	ChEMBL_60167 (CHEMBL675868)	In vitro ability to displace [3H]spiroperidol from rat dopamine receptor
50032308	1	ChEMBL_663402 (CHEMBL1250950)	Inhibition of PLD1 in human calu1 cells
50032308	2	ChEMBL_663403 (CHEMBL1250951)	Inhibition of human GST-tagged PLD2A in human HEK293 cells
50032309	1	ChEMBL_663438 (CHEMBL1250986)	Blockade of mouse HCN2 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay
50032309	2	ChEMBL_663436 (CHEMBL1250984)	Blockade of mouse HCN1 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay
50032309	3	ChEMBL_663439 (CHEMBL1250987)	Blockade of human HCN4 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay
50048636	1	ChEMBL_147641 (CHEMBL757325)	Inhibition of stereospecific [3H]diprenorphine binding to opioid receptors of rat brain homogenates by 50% in the presence of Na
50048636	2	ChEMBL_147640 (CHEMBL757324)	Inhibition of stereospecific [3H]diprenorphine binding to opioid receptors of rat brain homogenates by 50% in the absence of Na
50035486	15	ChEMBL_192816 (CHEMBL798536)	Antagonist binding of 2-chloro-[3H]-adenosine to rat brain
50032311	1	ChEMBL_663474 (CHEMBL1251073)	Inhibition of human recombinant glyoxalase 1 assessed as S-D-lactoylglutathione after 15 mins by spectrophotometric analysis
50032312	1	ChEMBL_663513 (CHEMBL1251166)	Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins
50032312	2	ChEMBL_663504 (CHEMBL1251103)	Inhibition of CYP1A2
50032312	3	ChEMBL_663501 (CHEMBL1251100)	Inhibition of CYP2C9
50032312	4	ChEMBL_663502 (CHEMBL1251101)	Inhibition of CYP2C19
50032312	5	ChEMBL_663500 (CHEMBL1251099)	Inhibition of CYP2D6
50032312	6	ChEMBL_663498 (CHEMBL1251097)	Inhibition of CYP3A4
50032313	1	ChEMBL_663643 (CHEMBL1251396)	Inhibition of Candida albicans 1,3 beta-D-glucan synthase
50032314	1	ChEMBL_663686 (CHEMBL1251496)	Inhibition of BCR-ABL1 autophosphorylation in human K562 cells
50032314	2	ChEMBL_663685 (CHEMBL1251495)	Inhibition of autophosphorylation of BCR-ABL1 expressed in Ba/F cells
50032314	3	ChEMBL_663683 (CHEMBL1251493)	Inhibition of human PDGFRalpha autophosphorylation in human A31 cells by ELISA
50032314	4	ChEMBL_663682 (CHEMBL1251492)	Inhibition of PDGFRbeta autophosphorylation in human A31 cells by ELISA
50032314	5	ChEMBL_663684 (CHEMBL1251494)	Inhibition of human KIT autophosphorylation in human GIST882 cells by ELISA
50032314	6	ChEMBL_663681 (CHEMBL1251491)	Inhibition of autophosphorylation of DDR1 expressed in HEK293 cells by ELISA
50032314	7	ChEMBL_663680 (CHEMBL1251490)	Inhibition of autophosphorylation of DDR2 expressed in HEK293 cells by ELISA
50032314	8	ChEMBL_663687 (CHEMBL1251497)	Inhibition of autophosphorylation of CSF1R expressed in HEK293 cells by ELISA
50032315	1	ChEMBL_663696 (CHEMBL1251506)	Inhibition of human O-GlcNAcase after 5 mins by Lineweaver-Burke plot analysis
50032316	1	ChEMBL_663707 (CHEMBL1250607)	Displacement of [3H]R-PIA from human adenosine A1 receptor expressed CHO cells after 60 mins by gamma counting
50032316	2	ChEMBL_663709 (CHEMBL1250609)	Displacement of [3H]CGS 21680 from human adenosine A2A receptor expressed HEK293 cells after 60 mins by gamma counting
50032316	3	ChEMBL_663711 (CHEMBL1250611)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma counting
50032317	1	ChEMBL_663713 (CHEMBL1250613)	Antagonist activity at human androgen receptor expressed in human CV1 cells assessed as inhibition of receptor-mediated transactivation by MMTV-luciferase reporter gene assay
50032318	1	ChEMBL_663732 (CHEMBL1250632)	Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria by liquid scintillation counting
50032319	1	ChEMBL_663744 (CHEMBL1250644)	Inhibition of VEGFR1
50032319	2	ChEMBL_663745 (CHEMBL1250645)	Inhibition of PDGFRalpha
50032319	3	ChEMBL_663746 (CHEMBL1250646)	Inhibition of PDGFRbeta
50032319	4	ChEMBL_663747 (CHEMBL1250647)	Inhibition of FGFR1
50032319	5	ChEMBL_663748 (CHEMBL1250648)	Inhibition of Tie2
50032319	6	ChEMBL_663749 (CHEMBL1250649)	Inhibition of HER2
50032319	7	ChEMBL_663750 (CHEMBL1250650)	Inhibition of EGFR
50035486	13	ChEMBL_192820 (CHEMBL798540)	Antagonist binding of N6-cyclohexyl-[3H]-adenosine in rat brain
50032319	9	ChEMBL_663752 (CHEMBL1250652)	Inhibition of IGF1R
50032319	10	ChEMBL_663753 (CHEMBL1250653)	Inhibition of c-Kit
50032319	11	ChEMBL_663754 (CHEMBL1250654)	Inhibition of SRC
50032319	12	ChEMBL_663755 (CHEMBL1250655)	Inhibition of FAK
50032319	13	ChEMBL_663756 (CHEMBL1250656)	Inhibition of B-Raf
50032319	14	ChEMBL_663757 (CHEMBL1250657)	Inhibition of ERK1
50032319	15	ChEMBL_663758 (CHEMBL1250658)	Inhibition of PKCtheta
50032319	16	ChEMBL_663759 (CHEMBL1250659)	Inhibition of GSK3-beta
50032319	17	ChEMBL_663760 (CHEMBL1250660)	Inhibition of aurora A
50032319	18	ChEMBL_663741 (CHEMBL1250641)	Inhibition of human VEGFR2
50032320	1	ChEMBL_663784 (CHEMBL1250684)	Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells
50032320	2	ChEMBL_663785 (CHEMBL1250685)	Inhibition of His-tagged human FGFR1 expressed in Sf9 cells
50032320	3	ChEMBL_663792 (CHEMBL1250692)	Inhibition of FGFR1
50032321	1	ChEMBL_663794 (CHEMBL1250694)	Binding affinity to mouse MAGd1-3Fc domain expressed in CHO-Lec1 cells by surface plasmon resonance
50032322	1	ChEMBL_663795 (CHEMBL1250695)	Partial agonist activity at human recombinant PPARdelta LBD expressed in HEK293 cells co-transfected with Gal4 assessed as beta-galactosidase activity by luciferase based transactivation assay
50032322	2	ChEMBL_663798 (CHEMBL1250698)	Partial agonist activity at human recombinant PPARalpha LBD expressed in HEK293 cells co-transfected with Gal4 assessed as beta-galactosidase activity by luciferase based transactivation assay
50032323	1	ChEMBL_663804 (CHEMBL1250704)	Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hrs by liquid scintillation counting
50032324	1	ChEMBL_666369 (CHEMBL1260723)	Inhibition of Escherichia coli ATCC 25922 AmpC
50032324	2	ChEMBL_666370 (CHEMBL1260724)	Inhibition of Citrobacter freundii AmpC
50032325	1	ChEMBL_666431 (CHEMBL1260235)	Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay
50032326	1	ChEMBL_664208 (CHEMBL1261649)	Binding affinity to Trypanosoma cruzi sterol 14-alpha-demethylase by UV-Spectrophotometry
50032327	1	ChEMBL_664215 (CHEMBL1261656)	Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay
50032327	2	ChEMBL_664216 (CHEMBL1261723)	Binding affinity to full-length GST-tagged p38alpha by surface plasmon resonance assay
50032328	1	ChEMBL_664227 (CHEMBL1261734)	Binding affinity to Hdm2
50032328	2	ChEMBL_664222 (CHEMBL1261729)	Inhibition of GST-tagged p53 binding to MDMX by ELISA
50032328	3	ChEMBL_664225 (CHEMBL1261732)	Binding affinity to MDMX
50032328	4	ChEMBL_664220 (CHEMBL1261727)	Inhibition of GST-tagged p53 binding to Hdm2 by ELISA
50035486	16	ChEMBL_194012 (CHEMBL802048)	Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat fat
50035486	12	ChEMBL_194205 (CHEMBL800353)	Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes
50035486	17	ChEMBL_192817 (CHEMBL798537)	Antagonist binding of L-N6-phenyl-isopropyl)-[3H]adenosine to rat brain
50035486	19	ChEMBL_192819 (CHEMBL798539)	Antagonist binding of rN6-cyclohexyl-[3H]adenosine to rat brain
50035486	18	ChEMBL_192818 (CHEMBL798538)	Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat brain
50032330	1	ChEMBL_664249 (CHEMBL1261756)	Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells
50032330	2	ChEMBL_664250 (CHEMBL1261757)	Displacement of [3H]Methylhistamine from human histamine H3 receptor expressed in HEK293 cells
50035486	14	ChEMBL_192815 (CHEMBL798535)	Antagonist binding of 2-chloro-[3H]-adenosine in rat brain
50032332	1	ChEMBL_664315 (CHEMBL1259350)	Inhibition of ovine COX1 by enzyme immunoassay
50032332	2	ChEMBL_664316 (CHEMBL1259351)	Inhibition of human recombinant COX2 by enzyme immunoassay
50032332	3	ChEMBL_664317 (CHEMBL1259352)	Inhibition of ovine COX2 by enzyme immunoassay
50032333	1	ChEMBL_664322 (CHEMBL1259357)	Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50032333	2	ChEMBL_664321 (CHEMBL1259356)	Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding
50048637	1	ChEMBL_193703 (CHEMBL796737)	Inhibitory concentration half-maximal displacement of 1.0 nM [3H]NPA specific binding from rat striatal membranes using 10e-5 (+/-)ADTN
50048637	2	ChEMBL_193702 (CHEMBL796736)	Inhibitory concentration for half-maximal displacement of 1.0 nM [3H]ADTN specific binding from rat striatal membranes using 10E-5 sulpiride
50032333	4	ChEMBL_664324 (CHEMBL1259359)	Inhibition of human ERG
50048638	2	ChEMBL_53931 (CHEMBL669353)	Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.
50048638	3	ChEMBL_53930 (CHEMBL669352)	Inhibitory activity against bovine liver Dihydrofolate reductase at pH 7.2.
50048638	4	ChEMBL_53617 (CHEMBL665572)	Inhibitory activity against chicken Dihydrofolate reductase at pH 7.2.
50032336	1	ChEMBL_664362 (CHEMBL1259511)	Inhibition of OSC
50032337	1	ChEMBL_664372 (CHEMBL1259521)	Displacement of [125I]iodoproxyfan human histamine H3 receptor
50032338	1	ChEMBL_664374 (CHEMBL1259523)	Antagonist activity at adenosine A2A receptor by cAMP assay
50032338	2	ChEMBL_664373 (CHEMBL1259522)	Antagonist activity at adenosine A1 receptor by cAMP assay
50032338	3	ChEMBL_664375 (CHEMBL1259524)	Antagonist activity at adenosine A2B receptor by cAMP assay
50032338	4	ChEMBL_664376 (CHEMBL1259525)	Antagonist activity at adenosine A3 receptor by cAMP assay
50032339	1	ChEMBL_664389 (CHEMBL1259538)	Inhibition of human recombinant MIF tautomerase
50032341	1	ChEMBL_664411 (CHEMBL1259677)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells
50032341	2	ChEMBL_664412 (CHEMBL1259678)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum
50032341	3	ChEMBL_664422 (CHEMBL1259688)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% dog serum
50032341	4	ChEMBL_664423 (CHEMBL1259689)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% rhesus monkey serum
50032341	5	ChEMBL_664424 (CHEMBL1259690)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% rat serum
50032341	6	ChEMBL_664425 (CHEMBL1259691)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% mongolian gerbil serum
50032341	7	ChEMBL_664438 (CHEMBL1259704)	Inhibition of CYP2D6
50032341	8	ChEMBL_664437 (CHEMBL1259703)	Inhibition of CYP3A4
50032341	9	ChEMBL_664441 (CHEMBL1259707)	Inhibition of CYP2C9
50032341	10	ChEMBL_664414 (CHEMBL1259680)	Inhibition of human PXR induction
50032342	1	ChEMBL_664471 (CHEMBL1259853)	Inhibition of LIMK1
50032342	2	ChEMBL_664472 (CHEMBL1259854)	Inhibition of LIMK2
50032342	3	ChEMBL_664469 (CHEMBL1259851)	Inhibition of bacterially expressed activated p38alpha pre-incubated 10 mins measured after 45 mins by scintillation counting
50032343	1	ChEMBL_664526 (CHEMBL1260067)	Inhibition of PI3K-beta
50032343	2	ChEMBL_664527 (CHEMBL1260068)	Inhibition of PI3K-delta
50032343	3	ChEMBL_664542 (CHEMBL1260083)	Inhibition of CYP1A2
50032343	5	ChEMBL_664541 (CHEMBL1260082)	Inhibition of CYP2B6
50032343	6	ChEMBL_664538 (CHEMBL1260079)	Inhibition of CYP2C8
50032343	7	ChEMBL_664539 (CHEMBL1260080)	Inhibition of CYP2C19
50032343	8	ChEMBL_664537 (CHEMBL1260078)	Inhibition of CYP2D6
50032343	9	ChEMBL_664536 (CHEMBL1260077)	Inhibition of CYP3A4
50032343	10	ChEMBL_664521 (CHEMBL1259903)	Inhibition of PI3K-alpha
50032343	11	ChEMBL_664522 (CHEMBL1259904)	Inhibition of PI3K-gamma
50032343	12	ChEMBL_664523 (CHEMBL1259905)	Inhibition of mTOR
50032344	1	ChEMBL_664555 (CHEMBL1260096)	Inhibition of c-Raf
50032345	1	ChEMBL_664563 (CHEMBL1260104)	Inhibition of Taq polymerase
50032345	2	ChEMBL_664564 (CHEMBL1260105)	Inhibition of telomerase in human SGC7901 cells by TRAP assay
50032346	1	ChEMBL_664575 (CHEMBL1260116)	Inhibition of human recombinant GST-tagged CDC25A expressed in bacterial expression system after 2 hrs
50032346	2	ChEMBL_664576 (CHEMBL1260117)	Inhibition of human recombinant GST-tagged CDC25C expressed in bacterial expression system after 2 hrs
50032347	1	ChEMBL_664584 (CHEMBL1260125)	Inhibition of human TPOR expressed in human BaF3 cells
50032348	1	ChEMBL_664610 (CHEMBL1260324)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM
50032348	2	ChEMBL_664612 (CHEMBL1260326)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells
50032349	1	ChEMBL_664621 (CHEMBL1260335)	Inhibition of CYP2D6
50032349	2	ChEMBL_664622 (CHEMBL1260336)	Inhibition of CYP2C9
50032349	3	ChEMBL_664625 (CHEMBL1260339)	Binding affinity to rat histamine H3 receptor
50032349	4	ChEMBL_664627 (CHEMBL1260341)	Inverse agonist activity at rat histamine H3 receptor
50032349	5	ChEMBL_664613 (CHEMBL1260327)	Displacement of [3H]-RAMH from human histamine H3 receptor
50032349	6	ChEMBL_664614 (CHEMBL1260328)	Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding
50032349	7	ChEMBL_664620 (CHEMBL1260334)	Inhibition of CYP3A4
50032350	1	ChEMBL_664632 (CHEMBL1260346)	Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli
50032351	1	ChEMBL_664635 (CHEMBL1260349)	Inhibition of human recombinant N-terminal domain of maltase-glucoamylase after 60 mins by glucose oxidase assay
50032352	1	ChEMBL_664644 (CHEMBL1260358)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50032352	2	ChEMBL_664643 (CHEMBL1260357)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding
50032353	1	ChEMBL_664649 (CHEMBL1260363)	Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level
50032353	2	ChEMBL_664648 (CHEMBL1260362)	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level
50032355	1	ChEMBL_664672 (CHEMBL1260558)	Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells
50032355	2	ChEMBL_664675 (CHEMBL1260561)	Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay
50032355	3	ChEMBL_664673 (CHEMBL1260559)	Binding affinity to human 5HT2A receptor
50032355	4	ChEMBL_664674 (CHEMBL1260560)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells
50032355	5	ChEMBL_664682 (CHEMBL1260568)	Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells by scintillation proximity assay
50032355	6	ChEMBL_664681 (CHEMBL1260567)	Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells
50032355	7	ChEMBL_664671 (CHEMBL1260557)	Displacement of [3H]dofetilide from human ERG
50032356	1	ChEMBL_664981 (CHEMBL1259938)	Positive allosteric modulation of muscarinic M5 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50032356	2	ChEMBL_664699 (CHEMBL1260585)	Positive allosteric modulation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50032356	3	ChEMBL_664707 (CHEMBL1260774)	Positive allosteric modulation of muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50032356	4	ChEMBL_664708 (CHEMBL1260775)	Positive allosteric modulation of muscarinic M3 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50032356	5	ChEMBL_664709 (CHEMBL1260776)	Positive allosteric modulation of muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 hr by FLIPR assay
50032357	1	ChEMBL_664730 (CHEMBL1260797)	Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis
50032357	2	ChEMBL_664732 (CHEMBL1260799)	Inhibition sorbitol dehydrogenase by spectrophotometric analysis
50032359	1	ChEMBL_664790 (CHEMBL1259400)	Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response
50032359	2	ChEMBL_664789 (CHEMBL1259399)	Displacement of [3H]-MPEP from mGluR5 in rat cortical membranes
50032360	1	ChEMBL_664824 (CHEMBL1259548)	Inhibition of recombinant ICMT expressed in Sf9 cells using [3H] AdoMet after 20 mins by scintillation counting
50032361	1	ChEMBL_664843 (CHEMBL1259567)	Displacement of [125I]echistatin from human integrin alphaVbeta3
50032361	2	ChEMBL_664844 (CHEMBL1259568)	Displacement of [125I]echistatin from human integrin alphaVbeta5
50032362	1	ChEMBL_664850 (CHEMBL1259574)	Inhibition of AKT1 by IMAP assay
50032362	2	ChEMBL_664851 (CHEMBL1259575)	Inhibition of AKT2 by IMAP assay
50032362	3	ChEMBL_664852 (CHEMBL1259576)	Inhibition of AKT3 by IMAP assay
50032362	4	ChEMBL_664853 (CHEMBL1259577)	Inhibition of PRAS40 phosphorylation at Thr246 in human LNCaP cells after 1.5 hrs
50032363	1	ChEMBL_664904 (CHEMBL1259736)	Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay
50032363	2	ChEMBL_664906 (CHEMBL1259738)	Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay
50032364	1	ChEMBL_664907 (CHEMBL1259739)	Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes
50032364	2	ChEMBL_664908 (CHEMBL1259740)	Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells
50032364	3	ChEMBL_664938 (CHEMBL1259770)	Binding affinity to human adrenergic Alpha-1D receptor
50032364	4	ChEMBL_664939 (CHEMBL1259771)	Binding affinity to human adrenergic alpha2A receptor
50032364	5	ChEMBL_664941 (CHEMBL1259773)	Binding affinity to human adrenergic Alpha-2C receptor
50032364	7	ChEMBL_664942 (CHEMBL1259774)	Binding affinity to rat adrenergic beta-1 receptor
50032364	8	ChEMBL_664943 (CHEMBL1259775)	Binding affinity to rat adrenergic beta2 receptor
50032364	9	ChEMBL_664945 (CHEMBL1259777)	Binding affinity to rat sigma 1 receptor
50032364	10	ChEMBL_664944 (CHEMBL1259776)	Binding affinity to rat adrenergic beta3 receptor
50032364	11	ChEMBL_664948 (CHEMBL1259780)	Binding affinity to human DAT
50032364	13	ChEMBL_664950 (CHEMBL1259907)	Binding affinity to rat dopamine D1 receptor
50032364	14	ChEMBL_664951 (CHEMBL1259908)	Binding affinity to rat dopamine D2 receptor
50032364	15	ChEMBL_664952 (CHEMBL1259909)	Binding affinity to rat dopamine D3 receptor
50032364	16	ChEMBL_664953 (CHEMBL1259910)	Binding affinity to rat dopamine D4 receptor
50032364	17	ChEMBL_664954 (CHEMBL1259911)	Binding affinity to human dopamine D5 receptor
50032364	18	ChEMBL_664956 (CHEMBL1259913)	Binding affinity to guinea pig histamine H1 receptor
50032364	19	ChEMBL_664957 (CHEMBL1259914)	Binding affinity to guinea pig histamine H2 receptor
50032364	20	ChEMBL_664958 (CHEMBL1259915)	Binding affinity to guinea pig histamine H3 receptor
50032364	21	ChEMBL_664959 (CHEMBL1259916)	Binding affinity to guinea pig histamine H4 receptor
50032364	22	ChEMBL_664960 (CHEMBL1259917)	Binding affinity to human kappa opioid receptor
50032364	23	ChEMBL_664961 (CHEMBL1259918)	Binding affinity to human mu opioid receptor
50032364	24	ChEMBL_664962 (CHEMBL1259919)	Binding affinity to human muscarinic M1 receptor
50032364	25	ChEMBL_664963 (CHEMBL1259920)	Binding affinity to human muscarinic M2 receptor
50032364	26	ChEMBL_664964 (CHEMBL1259921)	Binding affinity to human muscarinic M3 receptor
50032364	27	ChEMBL_664965 (CHEMBL1259922)	Binding affinity to human muscarinic M4 receptor
50032364	28	ChEMBL_664966 (CHEMBL1259923)	Binding affinity to human muscarinic M5 receptor
50032364	29	ChEMBL_664967 (CHEMBL1259924)	Binding affinity to human NET
50032364	30	ChEMBL_664924 (CHEMBL1259756)	Binding affinity to human 5-HT1A receptor
50032364	31	ChEMBL_664925 (CHEMBL1259757)	Binding affinity to human 5-HT1B receptor
50032364	32	ChEMBL_664926 (CHEMBL1259758)	Binding affinity to human 5-HT1D receptor
50032364	33	ChEMBL_664927 (CHEMBL1259759)	Binding affinity to human 5-HT1E receptor
50032364	34	ChEMBL_664928 (CHEMBL1259760)	Binding affinity to human 5-HT2A receptor
50032364	35	ChEMBL_664929 (CHEMBL1259761)	Binding affinity to human 5-HT2B receptor
50032364	36	ChEMBL_664930 (CHEMBL1259762)	Binding affinity to human 5-HT2C receptor
50032364	37	ChEMBL_664931 (CHEMBL1259763)	Binding affinity to human 5-HT3 receptor
50032364	38	ChEMBL_664932 (CHEMBL1259764)	Binding affinity to human 5-HT5A receptor
50032364	39	ChEMBL_664933 (CHEMBL1259765)	Binding affinity to human 5-HT6 receptor
50032364	40	ChEMBL_664934 (CHEMBL1259766)	Binding affinity to human 5-HT7 receptor
50032364	41	ChEMBL_664935 (CHEMBL1259767)	Binding affinity to human SERT
50032364	42	ChEMBL_664936 (CHEMBL1259768)	Binding affinity to human adrenergic alpha1A receptor
50032364	43	ChEMBL_664937 (CHEMBL1259769)	Binding affinity to human adrenergic Alpha-1B receptor
50032365	1	ChEMBL_664973 (CHEMBL1259930)	Inhibition of human GLT1 expressed in Xenopus laevis Oocytes assessed as reduction of [3H]-glutamate uptake after 10 mins by scintillation counting
50032365	2	ChEMBL_664972 (CHEMBL1259929)	Inhibition of human EAAC1 expressed in Xenopus laevis Oocytes assessed as reduction of [3H]-glutamate uptake after 10 mins by scintillation counting
50032366	1	ChEMBL_664975 (CHEMBL1259932)	Displacement of [125I]-secretin-27 from secretin receptor expressed in CHO cells by gamma-spectrometer analysis
50032366	2	ChEMBL_664976 (CHEMBL1259933)	Agonist activity at secretin receptor expressed in CHO cells assessed as increase of cAMP level
50032368	1	ChEMBL_665023 (CHEMBL1260133)	Inhibition of mTOR
50032368	2	ChEMBL_665024 (CHEMBL1260134)	Inhibition of AKT in human BT20 cells assessed as inhibition of S473 phosphorylation
50032370	1	ChEMBL_665055 (CHEMBL1260165)	Inhibition of RET
50032370	2	ChEMBL_665051 (CHEMBL1260161)	Inhibition of KIT
50032370	4	ChEMBL_665049 (CHEMBL1260159)	Inhibition of FGFR1
50032370	5	ChEMBL_665048 (CHEMBL1260158)	Inhibition of aurora C
50032370	6	ChEMBL_665036 (CHEMBL1260146)	Inhibition of AurA
50032370	8	ChEMBL_665071 (CHEMBL1260181)	Inhibition of BRK
50032370	9	ChEMBL_665070 (CHEMBL1260180)	Inhibition of ABL
50032370	10	ChEMBL_665069 (CHEMBL1260179)	Inhibition of AKT1
50032370	12	ChEMBL_665067 (CHEMBL1260177)	Inhibition of JAK3
50032370	13	ChEMBL_665066 (CHEMBL1260176)	Inhibition of CDC7
50032370	14	ChEMBL_665065 (CHEMBL1260175)	Inhibition of JAK2
50032370	16	ChEMBL_665063 (CHEMBL1260173)	Inhibition of PKCbeta
50032370	17	ChEMBL_665062 (CHEMBL1260172)	Inhibition of PDK1
50032370	18	ChEMBL_665061 (CHEMBL1260171)	Inhibition of PAK4
50032370	19	ChEMBL_665060 (CHEMBL1260170)	Inhibition of MST4
50032370	20	ChEMBL_665058 (CHEMBL1260168)	Inhibition of PKAalpha
50032370	21	ChEMBL_665057 (CHEMBL1260167)	Inhibition of TRKA
50032370	22	ChEMBL_665056 (CHEMBL1260166)	Inhibition of VEGFR2
50032370	23	ChEMBL_665074 (CHEMBL1260184)	Inhibition of IGFR1
50032370	24	ChEMBL_665075 (CHEMBL1260185)	Inhibition of IKK2
50032370	25	ChEMBL_665076 (CHEMBL1260186)	Inhibition of IKKi
50032370	26	ChEMBL_665077 (CHEMBL1260187)	Inhibition of LCK
50032370	27	ChEMBL_665078 (CHEMBL1260188)	Inhibition of LYN
50032370	28	ChEMBL_665079 (CHEMBL1260189)	Inhibition of MAPKAPK2
50032370	29	ChEMBL_665080 (CHEMBL1260190)	Inhibition of MET
50032370	30	ChEMBL_665081 (CHEMBL1260191)	Inhibition of NIM1
50032370	31	ChEMBL_665082 (CHEMBL1260192)	Inhibition of p38alpha
50032370	32	ChEMBL_665083 (CHEMBL1260193)	Inhibition of PLK1
50032370	33	ChEMBL_665085 (CHEMBL1260195)	Inhibition of ZAP70
50032370	34	ChEMBL_665086 (CHEMBL1260196)	Inhibition of EGFR1
50032370	35	ChEMBL_665368 (CHEMBL1261045)	Inhibition of ERK2
50032370	36	ChEMBL_665088 (CHEMBL1260198)	Inhibition of GSK3-beta
50032371	1	ChEMBL_665090 (CHEMBL1260200)	Inhibition of human recombinant AChE after 5 mins
50032371	2	ChEMBL_665091 (CHEMBL1260201)	Inhibition of human plasmatic BChE after 5 mins
50032372	1	ChEMBL_665135 (CHEMBL1260398)	Inhibition of [3H]PDBu binding to PKCepsilon C1B peptide
50032372	4	ChEMBL_665132 (CHEMBL1260395)	Inhibition of [3H]PDBu binding to PKC gamma C1A peptide
50032372	5	ChEMBL_665131 (CHEMBL1260394)	Inhibition of [3H]PDBu binding to PKC beta C1A peptide
50032372	7	ChEMBL_665137 (CHEMBL1260400)	Inhibition of [3H]PDBu binding to PKCtheta C1B peptide
50032372	3	ChEMBL_665133 (CHEMBL1260396)	Inhibition of [3H]PDBu binding to PKC delta C1A peptide
50032373	1	ChEMBL_665191 (CHEMBL1260610)	Inhibition of EGFR phosphorylation in human MIAPaCa cells by ELISA
50032373	2	ChEMBL_665190 (CHEMBL1260609)	Inhibition of IGF1R phosphorylation in human MIAPaCa cells by ELISA
50032373	3	ChEMBL_665369 (CHEMBL1261098)	Inhibition of ErbB2
50032373	4	ChEMBL_665187 (CHEMBL1260606)	Inhibition of IGF1R
50032373	5	ChEMBL_665192 (CHEMBL1260611)	Inhibition of ERBb2 phosphorylation in human MIAPaCa cells by ELISA
50048639	1	ChEMBL_158142 (CHEMBL760774)	Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 100 mg/kg (p.o.)
50048639	2	ChEMBL_158145 (CHEMBL767950)	Evaluated for the inhibition of prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 4.0 mg/kg (p.o.)
50048639	3	ChEMBL_158143 (CHEMBL760775)	Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 20 mg/kg (p.o.)
50048639	4	ChEMBL_158144 (CHEMBL760776)	Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 4 mg/kg p.o.
50035490	3	ChEMBL_197052 (CHEMBL806291)	In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine
50048640	1	ChEMBL_30261 (CHEMBL642914)	Inhibitory concentration required for displacement of Alpha adrenergic receptor specific ligand, 2-[ [ [(2,6-dimethoxyphenoxy) ethyl]amino]methyl]benzodioxan ([3H]WB-4101) from rat brain cerebral cortical membranes
50048640	2	ChEMBL_38292 (CHEMBL647096)	Evaluated for Beta adrenergic receptor agonistic property in isolated guinea pig atria
50048640	3	ChEMBL_38740 (CHEMBL651098)	Inhibitory concentration required for displacement of Beta adrenergic receptor specific ligand [3H]dihydroalprenolol from rat brain cerebral cortical membranes
50048640	4	ChEMBL_38739 (CHEMBL647422)	Inhibitory concentration required for displacement of Beta adrenergic receptor specific ligand [3H]dihydroalprenolol from rat brain cerebral cortical membranes
50048641	1	ChEMBL_60025 (CHEMBL675850)	Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue.
50048641	2	ChEMBL_31569 (CHEMBL645175)	Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caudate homogenate
50048642	1	ChEMBL_55072 (CHEMBL858271)	Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)
50048642	2	ChEMBL_54732 (CHEMBL668772)	Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)
50035496	8	ChEMBL_202760 (CHEMBL807845)	Evaluated for the mixed objective Non-competitive inhibition constant Ki against ATP varied cytoplasmic soluble thymidine kinase
50035496	2	ChEMBL_200332 (CHEMBL804825)	Evaluated for the Non-competitive inhibition constant Ki against TdR varied rat cytoplasmic soluble thymidine kinase
50048643	1	ChEMBL_59582 (CHEMBL672933)	Evaluated for the inhibition of binding of [3H]DA (dopamine) to dopamine receptor in calf striatal homogenate
50048643	2	ChEMBL_60008 (CHEMBL675833)	Evaluated for the inhibition of binding of [3H]DA (dopamine) to dopamine receptor in rat brain homogenate
50048644	1	ChEMBL_60029 (CHEMBL672125)	Displacement of 3[H]spiroperidol from Dopamine receptor in rat brain
50048644	2	ChEMBL_138917 (CHEMBL746567)	Tested in vitro for its ability to displace 3[H] clozapine from Muscarinic acetylcholine receptor in rat brain
50048645	1	ChEMBL_3493 (CHEMBL619778)	Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor site using 1 uM LSD as masking ligand
50048645	2	ChEMBL_3492 (CHEMBL619777)	Ability to displace [3H]5-HT binding from 5-hydroxytryptamine receptor site using 1 uM LSD as masking ligand
50048645	3	ChEMBL_3495 (CHEMBL619780)	Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor site using 1 uM LSD as masking ligand, activity is expressed as Kd.
50048645	4	ChEMBL_3496 (CHEMBL619166)	Ability to displace [3H]5-HT binding to 5-hydroxytryptamine receptor using 1 uM LSD as masking ligand, activity is expressed as Kd.
50048646	1	ChEMBL_147644 (CHEMBL757328)	Displacement [3H]naloxone from rat-brain Opioid receptors
50048646	2	ChEMBL_147643 (CHEMBL757327)	Displacement of [3H]nalotrexone from rat-brain Opioid receptors
50048647	1	ChEMBL_59599 (CHEMBL672156)	Tested for binding to dopamine receptor using [3H]apomorphine as radioligand in calf caudate nucleus homogenates.
50048647	2	ChEMBL_59600 (CHEMBL672157)	Tested for binding to dopamine receptor using [3H]spiroperidol as radioligand in calf caudate nucleus homogenates.
50048647	3	ChEMBL_59598 (CHEMBL672155)	Tested for binding to dopamine receptor using [3H]- ADTN as radioligand in calf caudate nucleus homogenates.
50048648	1	ChEMBL_223413 (CHEMBL844025)	Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl.
50048648	2	ChEMBL_223414 (CHEMBL844026)	Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl
50032376	1	ChEMBL_665252 (CHEMBL1260833)	Inhibition of PHD1 by HTRF assay
50018116	4	ChEMBL_2264752	Inhibition of human FLT3
50018116	5	ChEMBL_2264754	Inhibition of AXL (unknown origin)
50018116	6	ChEMBL_2264765	Inhibition of JAK3 (unknown origin)
50018116	7	ChEMBL_2264766	Inhibition of human JAK2
50018116	8	ChEMBL_2264767	Inhibition of FLT3 mutant (unknown origin)
50018116	9	ChEMBL_2264768	Inhibition of FLT3 D835Y mutant (unknown origin)
50018116	10	ChEMBL_2264769	Inhibition of IRAK-1 (unknown origin)
50018116	11	ChEMBL_2264770	Inhibition of FMS (unknown origin)
50018117	1	ChEMBL_2264838	Inhibition of STK25 (unknown origin)
50018117	2	ChEMBL_2264839	Inhibition of STK25 (unknown origin) by FRET assay
50018117	3	ChEMBL_2264840	Inhibition of STK25 (unknown origin) by cellular target engagement assay
50018119	1	ChEMBL_2264848	Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of AR transcription activity by dual-luciferase reporter assays
50048650	1	ChEMBL_145871 (CHEMBL754076)	Evaluated the ability to protect against the irreversible antagonism of morphines effects by beta-FNA in guinea pig ileal longitudinal muscle.
50032377	2	ChEMBL_665268 (CHEMBL1260849)	Inhibition of cathepsin D
50032378	1	ChEMBL_665287 (CHEMBL1260868)	Inhibition of PI3Kalpha
50032378	2	ChEMBL_665309 (CHEMBL1260890)	Inhibition of PI3Kbeta
50032378	3	ChEMBL_665310 (CHEMBL1260891)	Inhibition of PI3Kdelta
50032378	4	ChEMBL_665311 (CHEMBL1260892)	Inhibition of PI3Kgamma
50032379	1	ChEMBL_665321 (CHEMBL1260998)	Transactivation of mouse PPARalpha expressed in CV1 cells
50032379	2	ChEMBL_665322 (CHEMBL1260999)	Transactivation of mouse PPARdelta expressed in CV1 cells
50032380	1	ChEMBL_665326 (CHEMBL1261003)	Inhibition of PDE4D3 expressed in yeast
50032380	2	ChEMBL_665324 (CHEMBL1261001)	Inhibition of PDE4B1 expressed in yeast
50032380	3	ChEMBL_665325 (CHEMBL1261002)	Inhibition of PDE4A4 expressed in yeast
50032381	1	ChEMBL_665342 (CHEMBL1261019)	Inhibition of Bcr-Abl in mouse BA/F3 cells
50032382	1	ChEMBL_665394 (CHEMBL1261123)	Inhibition of human CYP2D6
50032382	2	ChEMBL_665393 (CHEMBL1261122)	Inhibition of human CYP2C9
50032382	3	ChEMBL_665392 (CHEMBL1261121)	Inhibition of human CYP1A2
50032382	4	ChEMBL_665395 (CHEMBL1261124)	Inhibition of human CYP3A4
50032383	1	ChEMBL_665404 (CHEMBL1261133)	Inhibition of human MCD
50032383	2	ChEMBL_665405 (CHEMBL1261134)	Inhibition of MCD in mouse hepatocytes by whole cell assay
50032384	1	ChEMBL_665430 (CHEMBL1261159)	Inhibition of EGFR
50032384	2	ChEMBL_665422 (CHEMBL1261151)	Inhibition of CDK2-cyclin E
50048651	1	ChEMBL_31136 (CHEMBL876558)	Displacement of [3H]CHA from rat brain adenosine receptor
50003738	5	ChEMBL_145710 (CHEMBL753917)	Ability to displace 50% of (+/-) ethylketocyclazocine (2.8) in rat brain homogenate
50032384	7	ChEMBL_665425 (CHEMBL1261154)	Inhibition of FAK
50032384	8	ChEMBL_665426 (CHEMBL1261155)	Inhibition of Src
50032384	9	ChEMBL_665427 (CHEMBL1261156)	Inhibition of KDR
50032385	1	ChEMBL_665493 (CHEMBL1261324)	Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells
50032385	2	ChEMBL_665487 (CHEMBL1261318)	Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay
50035509	6	ChEMBL_33786 (CHEMBL647358)	Agonistic activity against alpha-2 adrenergic receptor in isolated, field -simulated vas deferens from rats
50035509	8	ChEMBL_33033 (CHEMBL643958)	Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand
50048652	1	ChEMBL_143179 (CHEMBL749842)	Binding affinity against opiate receptor from rat neural membranes, using [3H]dihydromorphine as radioligand
50048653	1	ChEMBL_33998 (CHEMBL643627)	Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes
50048653	2	ChEMBL_60015 (CHEMBL675840)	Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes
50048654	1	ChEMBL_60009 (CHEMBL675834)	In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes
50048654	2	ChEMBL_30242 (CHEMBL644381)	In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex
50032385	5	ChEMBL_665490 (CHEMBL1261321)	Antagonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as inhibition of isoproterenol-induced cyclic AMP formation by HTRF assay
50048655	1	ChEMBL_59453 (CHEMBL670111)	Binding affinity against dopamine receptor from P4 fractions of caudate nucleus (calf brain), using [3H]ADTN as the radioligand at a concentration of 0.5 nM
50048655	2	ChEMBL_59456 (CHEMBL671709)	Binding affinity against dopamine receptor from P4 fractions of caudate nucleus (calf brain), using [3H]SPR as the radioligand at a concentration of 0.15 nM.
50048655	3	ChEMBL_59455 (CHEMBL671708)	Binding affinity against dopamine receptor from P4 fractions of caudate nucleus (calf brain), using [3H]APO as the radioligand at a concentration of 0.5 nM.
50048655	4	ChEMBL_59454 (CHEMBL670112)	Binding affinity against dopamine receptor from P4 fractions of caudate nucleus (calf brain), using [3H]APO as the radioligand at a concentration of 0.5 nM
50048656	1	ChEMBL_60012 (CHEMBL675837)	In vitro binding affinity towards dopamine receptor was determined in rat striatal membrane using [3H]spiroperidol as the radioligand
50048656	2	ChEMBL_59583 (CHEMBL672934)	In vitro binding affinity towards dopamine receptor was determined in bovine anterior pituitary membrane using [3H]dihydroergocriptine as the radioligand
50032387	2	ChEMBL_665523 (CHEMBL1261354)	Inhibition of FLT3 autophosphorylation in human RS4-11 cells by Western blot analysis
50032387	3	ChEMBL_665524 (CHEMBL679436)	Inhibition of c-Kit autophosphorylation in human Kasumi-1 cells by Western blot analysis
50032387	4	ChEMBL_665522 (CHEMBL1261353)	Inhibition of KDR autophosphorylation in HUVEC by Western blot analysis
50032388	1	ChEMBL_665540 (CHEMBL1261371)	Inhibition of human aurora A
50032388	2	ChEMBL_665542 (CHEMBL1261373)	Inhibition of human aurora C
50032389	1	ChEMBL_665567 (CHEMBL1261451)	Inhibition of human CYP1A2
50032389	2	ChEMBL_665568 (CHEMBL1261452)	Inhibition of human CYP2C9
50032389	3	ChEMBL_665569 (CHEMBL1261453)	Inhibition of human CYP2C19
50032389	4	ChEMBL_665570 (CHEMBL1261454)	Inhibition of human CYP2D6
50032389	5	ChEMBL_665571 (CHEMBL1261455)	Inhibition of human CYP3A4
50032390	1	ChEMBL_665574 (CHEMBL1261458)	Displacement of [3H]SCH23390 from dopamine D1 receptor in pig striatal membranes
50032390	2	ChEMBL_665575 (CHEMBL1261459)	Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells
50032390	3	ChEMBL_665580 (CHEMBL1261464)	Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes
50032390	4	ChEMBL_665576 (CHEMBL1261460)	Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells
50032390	5	ChEMBL_665577 (CHEMBL1261461)	Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells
50032391	1	ChEMBL_665589 (CHEMBL1261473)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50032392	1	ChEMBL_665656 (CHEMBL1261587)	Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in BHK cells
50032392	2	ChEMBL_665666 (CHEMBL1261597)	Displacement of [3H]prozosin from alpha-1b receptor in rat cerebral cortex
50032392	3	ChEMBL_665657 (CHEMBL1261588)	Displacement of [3H]prozosin from hamster cloned alpha-1b receptor
50032392	4	ChEMBL_665658 (CHEMBL1261589)	Displacement of [3H]prozosin from rat cloned alpha1d receptor
50032392	5	ChEMBL_665660 (CHEMBL1261591)	Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells
50032392	6	ChEMBL_665665 (CHEMBL1261596)	Displacement of [3H]spiperone from human cloned dopamine D2 receptor expressed in HEK293 cells
50032392	7	ChEMBL_665659 (CHEMBL1261590)	Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells
50032392	8	ChEMBL_665661 (CHEMBL1261592)	Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells
50032393	1	ChEMBL_665667 (CHEMBL1261598)	Inhibition of human EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay
50032394	1	ChEMBL_665682 (CHEMBL1261613)	Inhibition of mouse PrCP by FRET in presence of 1% mouse serum albumin
50032394	2	ChEMBL_665678 (CHEMBL1261609)	Inhibition of human PrCP by FRET
50032394	3	ChEMBL_665680 (CHEMBL1261611)	Inhibition of human PrCP by FRET in presence of 1% mouse serum albumin
50032394	4	ChEMBL_665681 (CHEMBL1261612)	Inhibition of mouse PrCP by FRET
50032395	1	ChEMBL_665727 (CHEMBL1261696)	Inhibition of PI4Kbeta
50032395	2	ChEMBL_665728 (CHEMBL1261697)	Inhibition of PI3K-C2 alpha
50032395	3	ChEMBL_665729 (CHEMBL1261698)	Inhibition of PI3K-C2 beta
50032395	4	ChEMBL_665730 (CHEMBL1261699)	Inhibition of human hVPS34
50032395	7	ChEMBL_665734 (CHEMBL1261703)	Inhibition of P110gamma
50048657	1	ChEMBL_60026 (CHEMBL672122)	Tested for displacement of rat caudate dopamine receptors by using [3H]apomorphine as radioligand
50048657	2	ChEMBL_60028 (CHEMBL672124)	Tested for displacement of rat striatal dopamine receptors by using [3H]apomorphine as radioligand
50032395	10	ChEMBL_665720 (CHEMBL1261689)	Binding affinity to mTOR
50032395	11	ChEMBL_665716 (CHEMBL1261685)	Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting
50032395	12	ChEMBL_665718 (CHEMBL1261687)	Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting
50032395	13	ChEMBL_665720 (CHEMBL1261689)	Binding affinity to mTOR
50032395	14	ChEMBL_665718 (CHEMBL1261687)	Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting
50032395	15	ChEMBL_665725 (CHEMBL1261694)	Binding affinity to MRCKA
50032395	16	ChEMBL_665726 (CHEMBL1261695)	Inhibition of PI4Kalpha
50032396	1	ChEMBL_665764 (CHEMBL1259255)	Intrinsic activity at human 5-HT1A receptor expressed in CHO cells assessed as increase of serotonin-induced [35S]GTPgammaS binding
50032396	2	ChEMBL_665768 (CHEMBL1259259)	Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes
50032396	3	ChEMBL_665769 (CHEMBL1259260)	Displacement of [3H]SCH23390 from dopamine D1 receptor in pig cortex membranes
50032396	4	ChEMBL_665770 (CHEMBL1259261)	Displacement of [3H]Spiperone from human dopamine D2 long receptor
50032396	5	ChEMBL_665771 (CHEMBL1259262)	Displacement of [3H]Spiperone from human dopamine D2 short receptor
50032396	6	ChEMBL_665772 (CHEMBL1259263)	Displacement of [3H]Spiperone from human dopamine D3 receptor
50032397	1	ChEMBL_665777 (CHEMBL1259268)	Displacement of [3H]CP55940 from rat brain CB1 receptor
50032397	2	ChEMBL_665778 (CHEMBL1259269)	Displacement of [3H]CP55940 from mouse spleen CB2 receptor
50032397	3	ChEMBL_665780 (CHEMBL1259271)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells
50032398	1	ChEMBL_667505 (CHEMBL1262145)	Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin
50048657	3	ChEMBL_60027 (CHEMBL672123)	Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand
50032399	1	ChEMBL_667958 (CHEMBL1263962)	Inhibition of reconstituted Escherichia coli DNA gyrase subunit AB assessed as reduction of DNA supercoiling activity using pBR322 DNA substrate
50032400	1	ChEMBL_668182 (CHEMBL1262357)	Inhibition of human CYP2B6 in human liver microsomes
50032401	1	ChEMBL_667618 (CHEMBL1262648)	Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1
50032401	2	ChEMBL_667619 (CHEMBL1262649)	Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72
50032402	1	ChEMBL_667852 (CHEMBL1263490)	Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1
50032402	2	ChEMBL_667853 (CHEMBL1263491)	Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55
50032403	1	ChEMBL_672988 (CHEMBL1268244)	Inhibition of Bacillus anthracis lethal factor
50032404	1	ChEMBL_672871 (CHEMBL1267846)	Inhibition of HDAC1 by in vitro deacetylation assay
50032404	2	ChEMBL_672869 (CHEMBL1267844)	Inhibition of HDAC2 by in vitro deacetylation assay
50032404	3	ChEMBL_672870 (CHEMBL1267845)	Inhibition of HDAC3 by in vitro deacetylation assay
50032404	4	ChEMBL_672868 (CHEMBL1267843)	Inhibition of HDAC4 by in vitro deacetylation assay
50032404	6	ChEMBL_672867 (CHEMBL1267842)	Inhibition of HDAC6 by in vitro deacetylation assay
50032404	7	ChEMBL_672865 (CHEMBL1267840)	Inhibition of HDAC7 by in vitro deacetylation assay
50032404	8	ChEMBL_672864 (CHEMBL1267839)	Inhibition of HDAC8 by in vitro deacetylation assay
50032404	9	ChEMBL_672862 (CHEMBL1267837)	Inhibition of HDAC9 by in vitro deacetylation assay
50032404	10	ChEMBL_672863 (CHEMBL1267838)	Inhibition of HDAC10 by in vitro deacetylation assay
50032405	1	ChEMBL_673137 (CHEMBL1268642)	Displacement of 0.1 uM UTP from NS5B in Hepatitis C virus
50032405	2	ChEMBL_673138 (CHEMBL1268643)	Displacement of 1 uM UTP from NS5B in Hepatitis C virus
50032405	3	ChEMBL_673139 (CHEMBL1268644)	Displacement of 5 uM UTP from NS5B in Hepatitis C virus
50032405	4	ChEMBL_673140 (CHEMBL1268645)	Displacement of 50 uM PPi from NS5B in Hepatitis C virus
50032405	5	ChEMBL_673141 (CHEMBL1268646)	Displacement of 100 uM PPi from NS5B in Hepatitis C virus
50032405	6	ChEMBL_673142 (CHEMBL1268647)	Displacement of 500 uM PPi from NS5B in Hepatitis C virus
50032405	7	ChEMBL_673129 (CHEMBL1268634)	Inhibition of NS5B-mediated RNA synthesis in Hepatitis C virus assessed as decrease in formation of full-length product after 45 mins
50048658	1	ChEMBL_33774 (CHEMBL859313)	Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined by ligand binding using [3H]yohimbine.
50048658	2	ChEMBL_33772 (CHEMBL648888)	Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined by ligand binding using [3H]yohimbine
50048658	3	ChEMBL_33691 (CHEMBL647162)	Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin.
50048658	4	ChEMBL_33301 (CHEMBL646154)	Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin
50035516	5	ChEMBL_68600 (CHEMBL681134)	In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.
50035516	4	ChEMBL_68599 (CHEMBL681133)	In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain
50048659	2	ChEMBL_30849 (CHEMBL643567)	In vitro inhibition against horse liver alcohol dehydrogenase
50048660	1	ChEMBL_122635 (CHEMBL731860)	In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.
50048660	2	ChEMBL_122637 (CHEMBL731861)	In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.
50048660	3	ChEMBL_122636 (CHEMBL873949)	In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT (serotonin)
50048660	4	ChEMBL_122638 (CHEMBL731862)	In vitro Inhibitory activity of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA (phenethylamine)
50048661	1	ChEMBL_59727 (CHEMBL672969)	Tested in vitro for dopamine agonist activity in rabbit ear artery after at a dose of 3 ug/kg
50048661	2	ChEMBL_59725 (CHEMBL672967)	Tested in vitro for dopamine agonist activity in rabbit ear artery after at a dose of 0.3 mg/kg
50048661	3	ChEMBL_59726 (CHEMBL672968)	Tested in vitro for dopamine agonist activity in rabbit ear artery after at a dose of 3 mg/kg
50035520	11	ChEMBL_144838 (CHEMBL752884)	Effect on synaptosomal uptake inhibition of Noradrenaline (NA)
50035520	10	ChEMBL_60177 (CHEMBL675877)	Effect of compound on synaptosomal uptake inhibition of Dopamine (DA)
50035520	14	ChEMBL_755 (CHEMBL615857)	Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)
50035521	8	ChEMBL_138352 (CHEMBL749896)	Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1
50035521	7	ChEMBL_60162 (CHEMBL675709)	Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate
50035521	6	ChEMBL_201211 (CHEMBL804007)	Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex
50032408	1	ChEMBL_675337 (CHEMBL1273374)	Binding affinity to Hsp90 nucleotide binding domain
50032408	2	ChEMBL_675338 (CHEMBL1273375)	Binding affinity to Hsp90 nucleotide binding domain in human BT474 cells
50032408	3	ChEMBL_675339 (CHEMBL1273376)	Binding affinity to Hsp70 nucleotide binding domain in human BT474 cells
50032408	4	ChEMBL_675327 (CHEMBL1273364)	Binding affinity to bovine Hsc70 by filter binding assay
50032408	5	ChEMBL_675336 (CHEMBL1273373)	Binding affinity to human Hsc70 by isothermal calorimetry assay
50035521	9	ChEMBL_60161 (CHEMBL675708)	Displacement of [3H]- apomorphine radioligand binding at the dopamine binding site of rat caudate
50032409	3	ChEMBL_675527 (CHEMBL1273740)	Inhibition of His6x-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-11) and [14C]-SAM by scintillation counting
50032409	4	ChEMBL_675529 (CHEMBL1273742)	Inhibition of HAT p300-mediated arginine methylation using H4(1-20) and [14C]-acetyl CoA by scintillation counting
50032409	9	ChEMBL_675522 (CHEMBL1273735)	Inhibition of mouse GST-tagged CARM1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H3(1-31) and [14C]-SAM by scintillation counting
50032409	10	ChEMBL_675523 (CHEMBL1273736)	Inhibition of His6x-tagged PRMT6-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H3(1-31) peptide and [14C]-SAM by scintillation counting
50032410	1	ChEMBL_673601 (CHEMBL1274714)	Inhibition of CRAF
50032410	2	ChEMBL_673594 (CHEMBL1274707)	Inhibition of p38alpha by fluoroprobe binding assay
50032410	3	ChEMBL_673595 (CHEMBL1274708)	Binding affinity to unphosphorylated p38alpha by fluoroprobe binding assay
50032410	4	ChEMBL_673596 (CHEMBL1274709)	Binding affinity to phosphorylated p38alpha by fluoroprobe binding assay
50032410	5	ChEMBL_673600 (CHEMBL1274713)	Inhibition of BRAF
50032410	6	ChEMBL_673602 (CHEMBL1274779)	Inhibition of EPHB2
50032410	7	ChEMBL_673599 (CHEMBL1274712)	Inhibition of p38alpha autophosphorylation
50032411	1	ChEMBL_673603 (CHEMBL1274780)	Inhibition of cathepsin S
50032412	2	ChEMBL_673657 (CHEMBL1274834)	Inhibition of cathepsin-D
50032412	5	ChEMBL_673771 (CHEMBL1274948)	Inhibition of CYP3A4 in presence of NADPH
50032413	1	ChEMBL_673774 (CHEMBL1274951)	Inhibition of DPP8 after 15 mins by para-nitroaniline release assay
50032413	2	ChEMBL_673773 (CHEMBL1274950)	Inhibition of DPP9 after 15 mins by para-nitroaniline release assay
50032413	3	ChEMBL_673775 (CHEMBL1274952)	Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay
50032414	1	ChEMBL_673776 (CHEMBL1274953)	Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced increase in intracellular calcium level by FLIPR assay
50032414	2	ChEMBL_673777 (CHEMBL1274954)	Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced increase in intracellular calcium level by FLIPR assay
50032415	1	ChEMBL_673782 (CHEMBL1274959)	Inhibition of rat nNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assay
50032415	2	ChEMBL_673781 (CHEMBL1274958)	Inhibition of bovine eNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assay
50032415	3	ChEMBL_673783 (CHEMBL1274960)	Inhibition of mouse iNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assay
50032415	4	ChEMBL_673784 (CHEMBL1274961)	Inhibition of human nNOS expressed in Escherichia coli assessed as inhibition of nitric oxide formation by hemoglobin capture assay
50032416	1	ChEMBL_673811 (CHEMBL1274988)	Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method
50032416	2	ChEMBL_673814 (CHEMBL1274991)	Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method
50032416	3	ChEMBL_673817 (CHEMBL1274994)	Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method
50032417	1	ChEMBL_673824 (CHEMBL1275001)	Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli
50048662	1	ChEMBL_216111 (CHEMBL873372)	Inhibition of [3H]-spiperone binding to dopamine receptor of rat corpus striatum
50048662	2	ChEMBL_216109 (CHEMBL816032)	Inhibition of [3H]dopamine binding to dopamine receptor of rat corpus striatum
50048662	3	ChEMBL_216110 (CHEMBL816033)	Inhibition of [3H]dopamine binding to dopamine receptor of rat corpus striatum
50048662	4	ChEMBL_216112 (CHEMBL816034)	Inhibition of [3H]spiperone binding to dopamine receptor of rat corpus striatum
50048662	5	ChEMBL_216107 (CHEMBL816030)	Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum
50048662	6	ChEMBL_216108 (CHEMBL816031)	Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum
50048662	7	ChEMBL_177222 (CHEMBL783697)	Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum
50003590	6	ChEMBL_216309 (CHEMBL821071)	In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site A using [3H]clonidine
50003590	5	ChEMBL_216308 (CHEMBL821070)	In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity [3H]5-HT from calf caudate nucleus
50003590	4	ChEMBL_216440 (CHEMBL820155)	In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine
50003590	2	ChEMBL_216443 (CHEMBL820158)	In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin
50003590	7	ChEMBL_216307 (CHEMBL821069)	In vitro binding affinity of alpha-adrenoceptor by interacting with high affinity, [3H]serotonin from calf caudate nucleus
50003590	3	ChEMBL_216442 (CHEMBL820157)	In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H]prazosin
50048664	1	ChEMBL_157966 (CHEMBL767496)	Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles.
50032419	3	ChEMBL_673955 (CHEMBL1275132)	Inhibition of human recombinant cathepsin S
50032419	4	ChEMBL_673954 (CHEMBL1275131)	Inhibition of human recombinant cathepsin B
50032419	5	ChEMBL_673958 (CHEMBL1275135)	Inhibition of human recombinant cathepsin L
50032419	6	ChEMBL_673965 (CHEMBL1275142)	Inhibition of CYP1A2
50032419	7	ChEMBL_673966 (CHEMBL1275143)	Inhibition of CYP2C9
50032419	8	ChEMBL_673967 (CHEMBL1275144)	Inhibition of CYP2C19
50032419	9	ChEMBL_673968 (CHEMBL1275145)	Inhibition of CYP3A4
50032419	10	ChEMBL_673977 (CHEMBL1275154)	Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay
50032420	1	ChEMBL_673984 (CHEMBL1275161)	Inhibition of MAOA by spectrofluorimetry
50032420	2	ChEMBL_673985 (CHEMBL1275162)	Inhibition of MAOB by spectrofluorimetry
50032421	1	ChEMBL_673988 (CHEMBL1275165)	Inhibition of renin in buffer
50032421	2	ChEMBL_673989 (CHEMBL1275166)	Inhibition of renin in plasma
50032422	1	ChEMBL_673999 (CHEMBL1275176)	Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation counting
50032423	1	ChEMBL_674013 (CHEMBL1275190)	Antagonist activity at human brain CB1 receptor assessed as inhibition for [35S]GTPgammaS binding
50032423	2	ChEMBL_674011 (CHEMBL1275188)	Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding
50032423	3	ChEMBL_674009 (CHEMBL1275186)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells
50032423	4	ChEMBL_674008 (CHEMBL1275185)	Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells
50032423	5	ChEMBL_674007 (CHEMBL1275184)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells
50032424	1	ChEMBL_674023 (CHEMBL1275200)	Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells
50032426	1	ChEMBL_674153 (CHEMBL1274250)	Inhibition of human recombinant renin using fluorogenic substrate by microplate spectrofluorimeter
50032427	1	ChEMBL_674154 (CHEMBL1274251)	Inhibition of EphB4 by acoustic dispensing assay
50032427	2	ChEMBL_674155 (CHEMBL1274252)	Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells
50032427	3	ChEMBL_674156 (CHEMBL1274253)	Inhibition of CYP3A4 in human liver microsomes by fluorometric assay
50032427	4	ChEMBL_674162 (CHEMBL1274259)	Inhibition of KDR phosphorylation in HUVEC
50032427	5	ChEMBL_674163 (CHEMBL1274260)	Inhibition of PDGFRbeta phosphorylation in human MG63 cells
50032427	6	ChEMBL_674170 (CHEMBL1274267)	Inhibition of CYP2C9 in human liver microsomes by fluorometric assay
50032427	7	ChEMBL_674171 (CHEMBL1274268)	Inhibition of CYP2D6 in human liver microsomes by fluorometric assay
50032427	8	ChEMBL_674172 (CHEMBL1274269)	Inhibition of CYP2C19 in human liver microsomes by fluorometric assay
50032428	1	ChEMBL_674193 (CHEMBL1274290)	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis
50032428	2	ChEMBL_674194 (CHEMBL1274291)	Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)
50032428	3	ChEMBL_674195 (CHEMBL1274292)	Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate complex formation
50032429	1	ChEMBL_674207 (CHEMBL1274304)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes
50032429	2	ChEMBL_674208 (CHEMBL1274305)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes
50032429	3	ChEMBL_674209 (CHEMBL1274306)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes
50048665	1	ChEMBL_146284 (CHEMBL756529)	Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the presence of NaCl
50048665	2	ChEMBL_146283 (CHEMBL756528)	Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl
50032432	1	ChEMBL_674397 (CHEMBL1274726)	Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor
50032433	1	ChEMBL_674420 (CHEMBL1274749)	Displacement of [3H]substance P from human neurokinin NK1 receptor expressed in CHO cell
50032433	2	ChEMBL_674421 (CHEMBL1274750)	Displacement of [3H]SR142801 from human neurokinin NK3 receptor expressed in HEK293-EBNA cells
50032434	1	ChEMBL_674428 (CHEMBL1274757)	Binding affinity to human recombinant CGRP receptor
50032434	2	ChEMBL_674593 (CHEMBL1273692)	Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells
50032435	1	ChEMBL_674620 (CHEMBL1273767)	Displacement of [125I]CCK8 from human CCK1 receptor expressed in CHO cells
50032435	2	ChEMBL_674621 (CHEMBL1273768)	Agonist activity at human CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay
50032435	3	ChEMBL_674625 (CHEMBL1273772)	Displacement of [125I]CCK8 from rat CCK1 receptor expressed in CHO cells
50032435	4	ChEMBL_674626 (CHEMBL1273773)	Agonist activity at rat CCK1 receptor expressed in CHO cells assessed as induction of calcium release by FLIPR assay
50032436	1	ChEMBL_674863 (CHEMBL1272436)	Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-3H]-cortisol to cortisone by scintillation counting
50032436	2	ChEMBL_674864 (CHEMBL1272437)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-3H]-cortisone to cortisol by scintillation counting
50032437	2	ChEMBL_674871 (CHEMBL1272500)	Inhibition of IRK4
50032437	3	ChEMBL_674872 (CHEMBL1272501)	Inhibition of VEGFR2
50032437	5	ChEMBL_674877 (CHEMBL1272506)	Inhibition of LCK
50032437	6	ChEMBL_674879 (CHEMBL1272508)	Inhibition of RSK2
50032437	7	ChEMBL_674880 (CHEMBL1272509)	Inhibition of AKT1
50032437	8	ChEMBL_674881 (CHEMBL1272510)	Inhibition of Camk4
50032437	9	ChEMBL_674882 (CHEMBL1272511)	Inhibition of CDK2
50032437	10	ChEMBL_674883 (CHEMBL1272512)	Inhibition of CSNK1d
50032437	11	ChEMBL_674884 (CHEMBL1272513)	Inhibition of EGFR
50032437	12	ChEMBL_674885 (CHEMBL1272514)	Inhibition of ERK2
50032437	13	ChEMBL_674886 (CHEMBL1272515)	Inhibition of IKK-beta
50032437	14	ChEMBL_674887 (CHEMBL1272516)	Inhibition of JAK2
50032437	15	ChEMBL_674888 (CHEMBL1272517)	Inhibition of cMET
50032437	17	ChEMBL_674890 (CHEMBL1272519)	Inhibition of PLK3
50032437	19	ChEMBL_674892 (CHEMBL1272521)	Inhibition of TSSK2
50032437	20	ChEMBL_674874 (CHEMBL1272503)	Inhibition of Aurora A
50032438	1	ChEMBL_675101 (CHEMBL1272892)	Inhibition of human ERG by Isotopic flux assay
50032438	2	ChEMBL_675100 (CHEMBL1272891)	Inhibition of human NaV1.5 by electrophysiology
50032438	3	ChEMBL_675099 (CHEMBL1272890)	Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiology
50032438	6	ChEMBL_675121 (CHEMBL1272912)	Inhibition of CaV2.2
50032438	8	ChEMBL_675098 (CHEMBL1272889)	Inhibition of human NaV1.2 by electrophysiology
50032438	9	ChEMBL_675097 (CHEMBL1272888)	Inhibition of human NaV1.8 by electrophysiology
50032438	10	ChEMBL_675096 (CHEMBL1272887)	Inhibition of mouse NaV1.8 by electrophysiology
50032439	1	ChEMBL_675131 (CHEMBL1272988)	Inhibition of human ERG
50032439	2	ChEMBL_675123 (CHEMBL1272914)	Inhibition of RANTES
50032439	3	ChEMBL_675124 (CHEMBL1272915)	Inhibition of CCR5 by cell-cell fusion inhibition assay
50032440	1	ChEMBL_675152 (CHEMBL1273009)	Non-competitive inhibition of Plasmodium falciparum FabI using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis
50032440	2	ChEMBL_675153 (CHEMBL1273010)	Non-competitive inhibition of Plasmodium falciparum FabI using NADH as cofactor by Michaelis-Menten steady state analysis
50032440	3	ChEMBL_675154 (CHEMBL1273011)	Competitive inhibition of Plasmodium falciparum FabZ using crotonyl-CoA as substrate by Michaelis-Menten steady state analysis
50032440	4	ChEMBL_675155 (CHEMBL1273012)	Competitive inhibition of Plasmodium falciparum FabG using acetoacetyl-CoA as substrate by Michaelis-Menten steady state analysis
50032440	5	ChEMBL_675156 (CHEMBL1273013)	Non-competitive inhibition of Plasmodium falciparum FabG using NADH as cofactor by Michaelis-Menten steady state analysis
50032440	6	ChEMBL_675161 (CHEMBL1273018)	Inhibition of Mycobacterium tuberculosis inhA
50032441	1	ChEMBL_675361 (CHEMBL1273398)	Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate by FRET assay
50032442	1	ChEMBL_675392 (CHEMBL1273472)	Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader
50032442	2	ChEMBL_675393 (CHEMBL1273473)	Inhibition of 11betaHSD1 in human platelet assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader
50032442	3	ChEMBL_675408 (CHEMBL1273488)	Inhibition of CYP2C9
50032442	4	ChEMBL_675409 (CHEMBL1273489)	Inhibition of CYP2D6
50032442	5	ChEMBL_675395 (CHEMBL1273475)	Inhibition of 3betaHSD2
50032442	6	ChEMBL_675396 (CHEMBL1273476)	Inhibition of 17betaHSD2
50032442	7	ChEMBL_675399 (CHEMBL1273479)	Inhibition of 11betaHSD2
50032442	8	ChEMBL_675406 (CHEMBL1273486)	Inhibition of recombinant 11betaHSD1 expressed in CHO cells assessed as [3H]-cortisone to [3H]-cortisol by microscintillation plate reader in presence of plasma
50032442	9	ChEMBL_675397 (CHEMBL1273477)	Activity against FXR
50032442	10	ChEMBL_675398 (CHEMBL1273478)	Activity against GR
50032442	11	ChEMBL_675407 (CHEMBL1273487)	Inhibition of CYP3A4
50032443	2	ChEMBL_675414 (CHEMBL1273494)	Inhibition of human N-terminal His6-tagged platelet 12-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis
50032443	3	ChEMBL_675415 (CHEMBL1273495)	Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis
50032443	4	ChEMBL_675422 (CHEMBL1273502)	Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 catalytic site assessed as 15-HPETE formation by Michaelis-Menten equation analysis
50032444	1	ChEMBL_675428 (CHEMBL1273565)	Displacement of [3H]SCH58261 from human recombinant A2A receptor expressed in HEK293 cells
50032444	2	ChEMBL_675431 (CHEMBL1273568)	Antagonist activity at rat A2A receptor by cAMP functional assay
50032446	1	ChEMBL_675630 (CHEMBL1273938)	Binding affinity to Bcl-2 by NMR titration assay
50032446	2	ChEMBL_675632 (CHEMBL1273940)	Binding affinity to Bcl-XL by NMR titration assay
50032446	3	ChEMBL_675631 (CHEMBL1273939)	Binding affinity to Bcl-2 by NMR titration assay in presence of 500 uM 1,1-bis(4-chlorophenyl)-3-(dimethylamino)propan-1-ol
50032446	4	ChEMBL_675633 (CHEMBL1273941)	Inhibition of Bcl-2 by fluorescence polarization assay
50048666	1	ChEMBL_59876 (CHEMBL673002)	Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from specific binding sites on rat striatal membranes
50048666	2	ChEMBL_33926 (CHEMBL647559)	Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes
50032448	1	ChEMBL_675650 (CHEMBL1274011)	Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting
50003845	3	ChEMBL_54923 (CHEMBL666409)	Inhibition constant of compound against Lactobacillus casei Dihydrofolate reductase
50048667	1	ChEMBL_158153 (CHEMBL767958)	Inhibitory concentration against prostaglandin synthetase in rat
50048668	1	ChEMBL_146018 (CHEMBL752709)	In vitro binding affinity against opioid receptor using 1 nM of [3H]- Naltrexone in the absence of NaCl
50048668	2	ChEMBL_146017 (CHEMBL752708)	In vitro binding affinity against opioid receptor using 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.
50048669	1	ChEMBL_143170 (CHEMBL744347)	Concentration required to inhibit the specific binding of tritiated ligand [3H]DADL to opiate receptor by 50%
50048669	2	ChEMBL_143171 (CHEMBL744348)	Concentration required to inhibit the specific binding of tritiated ligand [3H]naloxone to opiate receptor by 50%
50048669	3	ChEMBL_143175 (CHEMBL749838)	Concentration required to inhibit the specific binding of tritiated ligand [3H]-naloxone to opiate receptor by 50%
50048670	1	ChEMBL_54084 (CHEMBL669981)	Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)
50048671	1	ChEMBL_60004 (CHEMBL673316)	Concentration inhibiting the specific binding of [3H]naloxone by 50% in the absence of NaCl
50048671	2	ChEMBL_60006 (CHEMBL673465)	Concentration inhibiting the specific binding of [3H]spiroperidol by 50%
50048671	3	ChEMBL_60005 (CHEMBL673317)	Concentration inhibiting the specific binding of [3H]naloxone by 50% in the presence of NaCl
50032451	1	ChEMBL_674258 (CHEMBL1274355)	Agonist activity at human PAR2 receptor in HEK293 cells assessed as induction of intracellular calcium release
50032451	2	ChEMBL_674260 (CHEMBL1274357)	Antagonist activity at PAR2 receptor in human HT-29 cells assessed as inhibition of intracellular calcium release
50032451	3	ChEMBL_674259 (CHEMBL1274356)	Agonist activity at PAR2 receptor in human HT-29 cells assessed as induction of intracellular calcium release
50032452	1	ChEMBL_674287 (CHEMBL1274487)	Inhibition of CAMK4
50032452	3	ChEMBL_674289 (CHEMBL1274489)	Inhibition of p38alpha
50032452	4	ChEMBL_674290 (CHEMBL1274490)	Inhibition of AKT1
50032453	1	ChEMBL_674454 (CHEMBL1274598)	Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes
50032453	2	ChEMBL_674453 (CHEMBL1274597)	Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR1a/NR2b receptor expressed in mouse Ltk cells
50032454	1	ChEMBL_674713 (CHEMBL1273966)	Inhibition of equine BChE after 15 mins by Ellman's method using acetylcholine as substrate
50032454	2	ChEMBL_674712 (CHEMBL1273965)	Inhibition of electric eel AChE after 15 mins by Ellman's method using acetylcholine as substrate
50032454	3	ChEMBL_674714 (CHEMBL1273967)	Inhibition of equine BChE after 15 mins by Ellman's method using butyrylcholine as substrate
50032455	1	ChEMBL_674724 (CHEMBL1273977)	Inhibition of cathepsin D by FRET assay
50032455	3	ChEMBL_674723 (CHEMBL1273976)	Inhibition of BACE2 by FRET assay
50035535	2	ChEMBL_30786 (CHEMBL645063)	Binding affinity against calf intestine adenosine deaminase enzyme
50041118	2	ChEMBL_89671 (CHEMBL697164)	Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli
50035538	29	ChEMBL_34052 (CHEMBL643909)	Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes Alpha-2 adrenergic receptor
50035538	25	ChEMBL_33918 (CHEMBL647552)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-9
50035538	6	ChEMBL_164468 (CHEMBL770734)	Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha2 adrenoceptor
50035538	10	ChEMBL_164470 (CHEMBL769917)	Inhibition of specific [3H]-clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenoceptor; 2.8*10e-7
50035538	31	ChEMBL_33848 (CHEMBL649285)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 4.1*10e-7
50035538	13	ChEMBL_33851 (CHEMBL649288)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 5.8*10e-7
50035538	9	ChEMBL_164464 (CHEMBL770730)	Inhibition of specific [3H]-clonidine binding (0.4 nM) to rat brain membranes alpha2 adrenoceptor
50035538	17	ChEMBL_34001 (CHEMBL643630)	Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor
50035538	5	ChEMBL_164467 (CHEMBL770733)	Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor; 2.1*10e-6
50035538	15	ChEMBL_33850 (CHEMBL649287)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]-prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 5*10e-4
50035538	14	ChEMBL_33852 (CHEMBL649289)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 6.1*10e-5
50035538	30	ChEMBL_33920 (CHEMBL647554)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 3.6*10e-9
50035538	23	ChEMBL_33913 (CHEMBL645522)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]-clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 1*10e-6
50035538	20	ChEMBL_33914 (CHEMBL647548)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 1.4*10e-7
50035538	33	ChEMBL_33923 (CHEMBL647557)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 9.1*10e-9
50035538	12	ChEMBL_33854 (CHEMBL649291)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 6.6*10e-7
50032455	6	ChEMBL_674732 (CHEMBL1273985)	Inhibition of CYP3A4
50035538	38	ChEMBL_33921 (CHEMBL647555)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 4.8*10e-9
50035538	21	ChEMBL_33915 (CHEMBL647549)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 1.6*10e-8
50035538	16	ChEMBL_34002 (CHEMBL643631)	Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor.
50035538	34	ChEMBL_33846 (CHEMBL649283)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 1.6*10e-6
50035538	4	ChEMBL_164469 (CHEMBL770735)	Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha2 adrenoceptor
50035538	26	ChEMBL_33919 (CHEMBL647553)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 3.0*10e-8
50035538	32	ChEMBL_33849 (CHEMBL649286)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]-prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 4.85*10e-6
50035538	24	ChEMBL_33855 (CHEMBL649292)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 8.9*10e-7
50035538	11	ChEMBL_33853 (CHEMBL649290)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 6.5*10e-5
50035538	18	ChEMBL_33916 (CHEMBL647550)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.3*10e-8
50035538	39	ChEMBL_33922 (CHEMBL647556)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]-clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 5.9*10e-8
50035538	7	ChEMBL_164465 (CHEMBL770731)	Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor
50035538	19	ChEMBL_33917 (CHEMBL647551)	Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-8
50035538	36	ChEMBL_33847 (CHEMBL649284)	Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 2.4*10e-6
50035538	27	ChEMBL_164995 (CHEMBL770198)	Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor.
50041120	2	ChEMBL_59720 (CHEMBL874062)	The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each performed in triplicate.
50041120	3	ChEMBL_59719 (CHEMBL672962)	Compound was evaluated for the competitive binding with [3H]spiperone binding to Canine striatal membranes.
50035540	1	ChEMBL_35058 (CHEMBL648932)	Ability to inhibit Angiotensin I converting enzyme was determined
50048672	1	ChEMBL_33319 (CHEMBL645614)	Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 inhibitor concentrations
50048672	2	ChEMBL_33320 (CHEMBL645615)	Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in preparations in human platelet membranes from three separate experiments using 10 inhibitor concentrations
50048672	3	ChEMBL_33318 (CHEMBL873056)	Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from four to five separate experiments using 12 inhibitor concentrations
50003857	4	ChEMBL_155544 (CHEMBL759912)	Inhibition of fraction I of guinea pig phosphodiesterase
50003857	5	ChEMBL_155561 (CHEMBL762673)	Inhibition of fraction III of guinea pig phosphodiesterase
50032455	7	ChEMBL_674731 (CHEMBL1273984)	Inhibition of renin by FRET assay
50032456	1	ChEMBL_674955 (CHEMBL1272632)	Displacement of [3H]cytisine from rat alpha4beta2 nAChR in rat brain cell membrane
50032456	2	ChEMBL_674956 (CHEMBL1272633)	Displacement of [125I]alpha-Bungarotoxin from alpha7 nAchR in rat brain cell membrane
50032457	1	ChEMBL_674959 (CHEMBL1272636)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50032457	2	ChEMBL_674957 (CHEMBL1272634)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50032457	3	ChEMBL_674958 (CHEMBL1272635)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50032458	1	ChEMBL_674962 (CHEMBL1272639)	Inhibition of wild type Bacillus anthracis recombinant DHFR
50032459	1	ChEMBL_674971 (CHEMBL1272648)	Binding affinity to VDR-LBD by fluorescence polarization competition assay
50032459	2	ChEMBL_674981 (CHEMBL1272658)	Inhibition of human recombinant HDAC6 by fluorescence assay
50032460	1	ChEMBL_675211 (CHEMBL1273132)	Inhibition of CYP2D6 at 50 uM
50032460	2	ChEMBL_675212 (CHEMBL1273133)	Inhibition of human ERG channel
50032461	1	ChEMBL_675462 (CHEMBL1273599)	Displacement of high affinity TRAP form human platelet PAR1
50032461	2	ChEMBL_675467 (CHEMBL1273604)	Inhibition of PAR1-mediated aggregation of TRAP-stimulated human platelet
50032461	3	ChEMBL_675468 (CHEMBL1273605)	Inhibition of CYP3A4
50032461	4	ChEMBL_675469 (CHEMBL1273606)	Inhibition of CYP2D6
50032461	5	ChEMBL_675470 (CHEMBL1273607)	Inhibition of CYP2C9
50032461	6	ChEMBL_675471 (CHEMBL1273608)	Inhibition of CYP2C19
50032462	1	ChEMBL_675481 (CHEMBL1273618)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-4-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	2	ChEMBL_675482 (CHEMBL1273619)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-5-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	3	ChEMBL_675483 (CHEMBL1273620)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-6-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	4	ChEMBL_675478 (CHEMBL1273615)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-1-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	5	ChEMBL_675479 (CHEMBL1273616)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-2-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	6	ChEMBL_675480 (CHEMBL1273617)	Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-3-beta-3-gamma-2 receptor expressed in HEK cells by liquid scintillation counting
50032462	7	ChEMBL_675473 (CHEMBL1273610)	Agonist activity at human recombinant GABAA alpha-1-beta-3-gamma-2 receptor expressed in Xenopus oocytes at 1 to 10 uM by patch clamp technique
50032462	8	ChEMBL_675474 (CHEMBL1273611)	Agonist activity at human recombinant GABAA alpha-2-beta-3-gamma-2 receptor expressed in Xenopus oocytes at 1 to 10 uM by patch clamp technique
50032462	9	ChEMBL_675475 (CHEMBL1273612)	Agonist activity at human recombinant GABAA alpha-3-beta-3-gamma-2 receptor expressed in Xenopus oocytes at 1 to 10 uM by patch clamp technique
50032462	10	ChEMBL_675476 (CHEMBL1273613)	Agonist activity at human recombinant GABAA alpha-4-beta-3-gamma-2 receptor expressed in Xenopus oocytes at 1 to 10 uM by patch clamp technique
50032463	1	ChEMBL_675491 (CHEMBL1273704)	Inhibition of squalene synthase in rat liver microsomes assessed as [3H] FPP to squalene conversion level after 10 mins by scintillation counting
50032464	1	ChEMBL_675499 (CHEMBL1273712)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells
50048673	1	ChEMBL_66552 (CHEMBL677819)	Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol
50032466	1	ChEMBL_675509 (CHEMBL1273722)	Inhibition of Candida albicans ATCC 10231 isocitrate lyase
50048675	1	ChEMBL_155692 (CHEMBL766269)	Inhibition of bovine heart cAMP-phosphodiesterase
50048675	2	ChEMBL_155691 (CHEMBL766268)	Inhibition of bovine heart cAMP-phosphodiesterase
50035545	3	ChEMBL_34799 (CHEMBL644415)	In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3
50035547	2	ChEMBL_30719 (CHEMBL646485)	Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane
50048676	1	ChEMBL_32559 (CHEMBL645694)	Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin as radioligand
50048676	2	ChEMBL_32321 (CHEMBL643679)	Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand
50032468	1	ChEMBL_674336 (CHEMBL1274536)	Inhibition of human ERG expressed in HEK cells by patch clamp technique
50032468	2	ChEMBL_674338 (CHEMBL1274538)	Inhibition of human CYP2C19
50032468	3	ChEMBL_674333 (CHEMBL1274533)	Binding affinity to human HT3A receptor
50032468	4	ChEMBL_674334 (CHEMBL1274534)	Inhibition of human CYP3A4
50032469	1	ChEMBL_674740 (CHEMBL1273993)	Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay
50032469	2	ChEMBL_674741 (CHEMBL1273994)	Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay
50032469	3	ChEMBL_674742 (CHEMBL1273995)	Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay
50032469	4	ChEMBL_674743 (CHEMBL1273996)	Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay
50032469	5	ChEMBL_674744 (CHEMBL1273997)	Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay
50032469	6	ChEMBL_674745 (CHEMBL1273998)	Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay
50032469	7	ChEMBL_674746 (CHEMBL1273999)	Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay
50032469	8	ChEMBL_674747 (CHEMBL1274000)	Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay
50032470	1	ChEMBL_674755 (CHEMBL1274063)	Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cells after 60 mins
50032470	2	ChEMBL_674756 (CHEMBL1274064)	Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat cortical membranes after 120 mins
50032471	1	ChEMBL_674760 (CHEMBL1274068)	Inhibition of yeast alpha-glucosidase after 10 to 30 mins
50032471	2	ChEMBL_674763 (CHEMBL1274071)	Inhibition of bovine liver beta-glucosidase after 10 to 30 mins
50032472	1	ChEMBL_674818 (CHEMBL1274126)	Inhibition of TGFbeta2 receptor
50032472	3	ChEMBL_674821 (CHEMBL1272394)	Inhibition of TGFbeta receptor in human HaCaT cells assessed as Smad phosphorylation by ELISA
50032472	4	ChEMBL_674816 (CHEMBL1274124)	Inhibition of BMPR2
50032472	6	ChEMBL_674819 (CHEMBL1274127)	Inhibition of PDGFRalpha
50032473	1	ChEMBL_674545 (CHEMBL1274456)	Binding affinity to FLT3
50032473	2	ChEMBL_674546 (CHEMBL1274457)	Binding affinity to cKIT
50032473	3	ChEMBL_674547 (CHEMBL1274458)	Binding affinity to PDGFRalpha
50032473	4	ChEMBL_674548 (CHEMBL1274459)	Binding affinity to PDGFRbeta
50032473	5	ChEMBL_674549 (CHEMBL1274460)	Binding affinity to RET
50032473	6	ChEMBL_674550 (CHEMBL1274461)	Binding affinity to CSF1R
50032473	7	ChEMBL_674536 (CHEMBL1274447)	Inhibition of cathepsin G in human MOLT4 cells
50032473	8	ChEMBL_674537 (CHEMBL1274448)	Inhibition of cathepsin G
50032473	9	ChEMBL_674525 (CHEMBL1274436)	Inhibition of CDK4
50032473	10	ChEMBL_674544 (CHEMBL1274455)	Inhibition of CDK6
50032473	11	ChEMBL_674528 (CHEMBL1274439)	Agonist activity at RARalpha
50032473	12	ChEMBL_674529 (CHEMBL1274440)	Agonist activity at RARbeta
50032473	13	ChEMBL_674530 (CHEMBL1274441)	Agonist activity at RARgamma
50032473	14	ChEMBL_674527 (CHEMBL1274438)	Binding affinity to BCl2
50032473	15	ChEMBL_674526 (CHEMBL1274437)	Binding affinity to Bcl-xl
50032473	16	ChEMBL_674531 (CHEMBL1274442)	Binding affinity to MCL1
50032474	1	ChEMBL_675695 (CHEMBL1274056)	Inhibition of CYP1A2
50032474	2	ChEMBL_675696 (CHEMBL1274057)	Inhibition of CYP2C19
50032474	3	ChEMBL_675697 (CHEMBL1272331)	Inhibition of CYP2C9
50032474	4	ChEMBL_675698 (CHEMBL1272332)	Inhibition of CYP2D6
50032474	5	ChEMBL_675699 (CHEMBL1272333)	Inhibition of CYP3A4
50032475	1	ChEMBL_675712 (CHEMBL1272346)	Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay
50032475	2	ChEMBL_675713 (CHEMBL1272347)	Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay
50032475	3	ChEMBL_675714 (CHEMBL1272348)	Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay
50032475	4	ChEMBL_675715 (CHEMBL1272349)	Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay
50032475	5	ChEMBL_675716 (CHEMBL1272350)	Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay
50032475	6	ChEMBL_675717 (CHEMBL1272351)	Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay
50032475	7	ChEMBL_675718 (CHEMBL1272352)	Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay
50032475	8	ChEMBL_675719 (CHEMBL1272353)	Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay
50032476	1	ChEMBL_675728 (CHEMBL1272362)	Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer
50032476	2	ChEMBL_675729 (CHEMBL1272363)	Displacement of [125I]ET1 from human ETB receptor expressed in membranes
50032477	1	ChEMBL_675737 (CHEMBL1272371)	Binding affinity to Pin1 by isothermal calorimetry
50032477	2	ChEMBL_675741 (CHEMBL1272375)	Inhibition of Pin1-mediated cyclin D1 expression in serum starved human PC3 cells
50032477	3	ChEMBL_675743 (CHEMBL1272377)	Inhibition of Pin1 in serum starved human PC3 cells assessed as reduction in insulin-induced p7)S6 kinase phosphorylation
50032477	4	ChEMBL_675735 (CHEMBL1272369)	Inhibition of Pin1 by PIn1 PPIase assay
50032478	1	ChEMBL_675750 (CHEMBL1272384)	Inhibition of LCK by Hot Spot filtration binding assay
50032478	2	ChEMBL_675751 (CHEMBL1272385)	Inhibition of MNK1 by Hot Spot filtration binding assay
50032478	3	ChEMBL_675752 (CHEMBL1272386)	Inhibition of RSK1 by Hot Spot filtration binding assay
50032478	5	ChEMBL_675745 (CHEMBL1272379)	Inhibition of c-SRC by Hot Spot filtration binding assay
50032478	6	ChEMBL_675746 (CHEMBL1272380)	Inhibition of EphA2 by Hot Spot filtration binding assay
50032478	7	ChEMBL_675747 (CHEMBL1272381)	Inhibition of FLT1 by Hot Spot filtration binding assay
50032478	8	ChEMBL_675749 (CHEMBL1272383)	Inhibition of KDR by Hot Spot filtration binding assay
50032478	9	ChEMBL_675748 (CHEMBL1272382)	Inhibition of FLT3 by Hot Spot filtration binding assay
50032479	1	ChEMBL_675858 (CHEMBL1272616)	Inhibition of HIF1alpha in human U251 cells under hypoxic condition by luciferase reporter gene assay
50032479	2	ChEMBL_675859 (CHEMBL1272617)	Inhibition of HIF1alpha in human U251 cells under normoxic condition by luciferase reporter gene assay
50003180	6	ChEMBL_158443 (CHEMBL763247)	Inhibition of ram seminal vesicle Cyclooxygenase
50035548	2	ChEMBL_34781 (CHEMBL646063)	Inhibition of Angiotensin I converting enzyme
50048678	1	ChEMBL_59724 (CHEMBL672966)	Inhibitory activity against constrictor response to electrical stimulation in the isolated perfused rabbit ear artery(REA) expressing dopamine receptor
50048679	1	ChEMBL_30093 (CHEMBL642872)	In vitro inhibitory activity was evaluated against,[3H]WB 4101 whole rat brain alpha 1-adrenoceptor
50048679	2	ChEMBL_59586 (CHEMBL672937)	In vitro inhibitory activity was evaluated against [3H]dopamine (DA) calf caudate dopamine receptor
50048679	3	ChEMBL_34050 (CHEMBL643907)	In vitro inhibitory activity was evaluated against,[3H]clonidine (Clon) rat brain minus cerebellum Alpha-2 adrenergic receptor
50048679	4	ChEMBL_59588 (CHEMBL672939)	In vitro inhibitory activity was evaluated against,[3H]dopamine (DA),calf caudate dopamine receptor
50048679	5	ChEMBL_201217 (CHEMBL804011)	In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole rat brain serotonin receptor
50048679	6	ChEMBL_59587 (CHEMBL672938)	In vitro inhibitory activity was evaluated against [3H]spiperone calf caudate (SPC) dopamine receptor
50048679	7	ChEMBL_201218 (CHEMBL804012)	In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cortex (SPFC) serotonin receptor
50048679	8	ChEMBL_59589 (CHEMBL672940)	In vitro inhibitory activity was evaluated against,[3H]spiperone calf caudate (SPC) dopamine receptor
50002268	6	ChEMBL_177035 (CHEMBL779556)	In vitro inhibition of GABA uptake in rat brain synaptic membranes
50002268	5	ChEMBL_177051 (CHEMBL779572)	In vivo inhibition of GABA uptake in rat brain synaptic membranes
50048680	1	ChEMBL_30259 (CHEMBL642912)	Inhibitory activity against alpha adrenergic receptor
50048680	2	ChEMBL_30260 (CHEMBL642913)	Inhibitory activity against alpha adrenergic receptor in rat
50048681	1	ChEMBL_143183 (CHEMBL749846)	Inhibitory activity against opiate receptor in rat using [3H]naloxone as radioligand
50048682	1	ChEMBL_38762 (CHEMBL653136)	Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat lung tissue
50048682	2	ChEMBL_38761 (CHEMBL653135)	Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat heart tissue
50048682	3	ChEMBL_38759 (CHEMBL653133)	Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-6 concentration
50048682	4	ChEMBL_38758 (CHEMBL651865)	Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-5 concentration
50048682	5	ChEMBL_38757 (CHEMBL651864)	Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration
50048682	6	ChEMBL_38755 (CHEMBL651862)	Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat heart tissue at 1*10e-5 concentration
50048682	7	ChEMBL_38760 (CHEMBL653134)	Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration
50048682	8	ChEMBL_38756 (CHEMBL651863)	Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat heart tissue at 1*10e-6 concentration
50048682	9	ChEMBL_38763 (CHEMBL653137)	Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat lung tissue
50048684	2	ChEMBL_60175 (CHEMBL675875)	Ability to inhibit [3H]haloperidol binding to dopamine receptor in rat striatal homogenate
50048684	3	ChEMBL_138919 (CHEMBL746569)	The compound was tested for inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor
50032481	1	ChEMBL_675953 (CHEMBL1272819)	Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells
50032481	2	ChEMBL_675954 (CHEMBL1272820)	Displacement of [125I]Iodoproxyfan from histamine H3 receptor
50032482	1	ChEMBL_675987 (CHEMBL1272925)	Inhibition of human ERG channel
50032482	2	ChEMBL_675991 (CHEMBL1272929)	Inhibition of CYP3A4
50032482	3	ChEMBL_675990 (CHEMBL1272928)	Inhibition of CYP2C9
50032482	4	ChEMBL_675989 (CHEMBL1272927)	Inhibition of CYP2D6
50032482	5	ChEMBL_675988 (CHEMBL1272926)	Inhibition of CYP1A2
50032482	6	ChEMBL_675983 (CHEMBL1272921)	Displacement of [3H]imipramine from human recombinant SERT receptor expressed in HEK293 cells
50032482	7	ChEMBL_675982 (CHEMBL1272920)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells
50032482	8	ChEMBL_675981 (CHEMBL1272919)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO-K1 cells
50032483	1	ChEMBL_675992 (CHEMBL1272930)	Inhibition of human MC4 receptor
50032483	2	ChEMBL_675993 (CHEMBL1272931)	Agonist activity at human MC4 receptor
50032484	1	ChEMBL_676021 (CHEMBL1272959)	Inhibition of human SCD1
50032484	2	ChEMBL_676022 (CHEMBL1272960)	Inhibition of human SCD5
50032484	3	ChEMBL_676020 (CHEMBL1272958)	Inhibition of rat SCD1
50032484	5	ChEMBL_676024 (CHEMBL1272962)	Inhibition of Delta(5) fatty acid desaturase in human HepG2 cells
50032484	6	ChEMBL_676025 (CHEMBL1272963)	Inhibition of Delta(5) fatty acid desaturase in freshly isolated rat hepatocytes
50032485	1	ChEMBL_676056 (CHEMBL1273050)	Inhibition of CYP1A2 by CYPEX bactosome P450 inhibition assay
50032485	2	ChEMBL_676057 (CHEMBL1273051)	Inhibition of CYP2C9 by CYPEX bactosome P450 inhibition assay
50032485	3	ChEMBL_676058 (CHEMBL1273052)	Inhibition of CYP2C19 by CYPEX bactosome P450 inhibition assay
50032485	4	ChEMBL_676059 (CHEMBL1273053)	Inhibition of CYP2D6 by CYPEX bactosome P450 inhibition assay
50032485	5	ChEMBL_676060 (CHEMBL1273054)	Inhibition of CYP3A4 by CYPEX bactosome P450 inhibition assay
50032485	6	ChEMBL_676061 (CHEMBL1273055)	Inhibition of CYP3A4 using DEF substrate by CYPEX bactosome P450 inhibition assay
50032486	1	ChEMBL_676065 (CHEMBL1273059)	Inhibition of CYP3A4 after 30 mins
50032487	1	ChEMBL_676069 (CHEMBL1273063)	Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis
50032487	2	ChEMBL_676070 (CHEMBL1273064)	Inhibition of human liver cathepsin B after 5 mins by microplate reader analysis
50032488	1	ChEMBL_676073 (CHEMBL1273067)	Inhibition of bovine eNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin
50032488	2	ChEMBL_676072 (CHEMBL1273066)	Inhibition of rat brain nNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin
50032488	3	ChEMBL_676071 (CHEMBL1273065)	Inhibition of mouse macrophage iNOS assessed as nitric oxide mediated oxidation of oxyhemoglobin to methemoglobin
50032489	1	ChEMBL_676077 (CHEMBL1273071)	Agonist activity at human TLR7 expressed in HEK-Blue-7 cells assessed as increase in NF-kappaB activation by sAP assay
50032490	1	ChEMBL_676082 (CHEMBL1273076)	Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assay
50032490	2	ChEMBL_676083 (CHEMBL1273077)	Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assay
50032491	1	ChEMBL_676113 (CHEMBL1273164)	Inhibition of human ERG
50032493	1	ChEMBL_676148 (CHEMBL1273199)	Inhibition of human Ephx2 after 30 mins by fluorescence polarization assay
50032493	3	ChEMBL_676150 (CHEMBL1273201)	Inhibition of CYP3A4
50032494	1	ChEMBL_676155 (CHEMBL1273206)	Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis
50032495	1	ChEMBL_676158 (CHEMBL1273209)	Inhibition of p38alpha by immunosorbent based assay
50032497	2	ChEMBL_676201 (CHEMBL1273321)	Inhibition of human recombinant Cathepsin D by FRET assay
50032499	1	ChEMBL_676208 (CHEMBL1273328)	Inhibition of VEGFR2
50032500	1	ChEMBL_676221 (CHEMBL1273341)	Inhibition of EGFR
50032500	2	ChEMBL_676222 (CHEMBL1273342)	Inhibition of EGFR at 20 uM
50032501	1	ChEMBL_676279 (CHEMBL1273520)	Binding affinity Bcl-xL by isothermal titration calorimetry assay
50032501	2	ChEMBL_676275 (CHEMBL1273516)	Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay
50032501	3	ChEMBL_676276 (CHEMBL1273517)	Displacement of F-BakBH3 from Bcl-2 after 30 mins by fluorescence polarization assay
50032501	4	ChEMBL_676277 (CHEMBL1273518)	Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay
50032501	5	ChEMBL_676278 (CHEMBL1273519)	Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay
50032502	1	ChEMBL_676301 (CHEMBL1273542)	Inhibition of human recombinant CYP1A2
50032502	2	ChEMBL_676302 (CHEMBL1273543)	Inhibition of human recombinant CYP3A4
50032502	3	ChEMBL_676303 (CHEMBL1273544)	Inhibition of human recombinant CYP2C9
50032502	4	ChEMBL_676304 (CHEMBL1273545)	Inhibition of human recombinant CYP2C19
50032502	5	ChEMBL_676305 (CHEMBL1273546)	Inhibition of human recombinant CYP2D6
50032502	6	ChEMBL_676320 (CHEMBL1273561)	Inhibition of human ERG
50048685	1	ChEMBL_54572 (CHEMBL664886)	Inhibition of Escherichia coli dihydrofolate reductase.
50032503	4	ChEMBL_676334 (CHEMBL1273635)	Inhibition of CDK4 in human Jeko1 cells assessed as phosphorylated pRb at Ser780 level after 2 hrs by ELISA
50032503	6	ChEMBL_676342 (CHEMBL1273643)	Inhibition of ERK2
50032503	7	ChEMBL_676343 (CHEMBL1273644)	Inhibition of FGFR4
50032503	8	ChEMBL_676344 (CHEMBL1273645)	Inhibition of GSK3-beta
50032503	9	ChEMBL_676345 (CHEMBL1273646)	Inhibition of JAK1
50032503	10	ChEMBL_676346 (CHEMBL1273647)	Inhibition of MAPK2
50032503	11	ChEMBL_676347 (CHEMBL1273648)	Inhibition of MAPK5
50032503	12	ChEMBL_676348 (CHEMBL1273649)	Inhibition of PDGFRalpha
50032503	13	ChEMBL_676349 (CHEMBL1273650)	Inhibition of PDK1
50032503	14	ChEMBL_676351 (CHEMBL1273652)	Inhibition of PKBalpha
50032503	15	ChEMBL_676352 (CHEMBL1273653)	Inhibition of SYK
50048686	1	ChEMBL_122768 (CHEMBL730877)	Evaluated for (Ki value) in competition with oxidation of benzylamine.
50048686	2	ChEMBL_122769 (CHEMBL730878)	Evaluated for (Ki value) inactivation of Monoamine oxidase at saturation.
50035558	5	ChEMBL_157981 (CHEMBL767508)	In vitro inhibitory activity against Prostaglandin G/H synthase
50048687	1	ChEMBL_124579 (CHEMBL734659)	Inhibitory activity against rat brain mitochondrial Monoamine oxidase
50003142	4	ChEMBL_152334 (CHEMBL758716)	Ki value was evaluated for the inhibition of porcine pancreatic elastase
50032503	17	ChEMBL_676329 (CHEMBL1273630)	Inhibition of human CDK1/cyclin B after 2 hrs by IMAP-FP assay
50032503	18	ChEMBL_676353 (CHEMBL1273654)	Inhibition of c-MET
50035560	2	ChEMBL_33174 (CHEMBL641383)	Effective concentration (EC50) against alpha-2-adrenoceptor in the guinea pig atrium
50032504	1	ChEMBL_677264 (CHEMBL1279102)	Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay
50032504	2	ChEMBL_677263 (CHEMBL1279101)	Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay
50032507	1	ChEMBL_678224 (CHEMBL1280219)	Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins
50032507	2	ChEMBL_678225 (CHEMBL1280220)	Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins
50032508	1	ChEMBL_679490 (CHEMBL1282135)	Inhibition of Escherichia coli JM109 beta-lactamase SHV-11
50048689	2	ChEMBL_202547 (CHEMBL806152)	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
50048689	1	ChEBML_202547	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex
50032511	1	ChEMBL_681653 (CHEMBL1282584)	Inhibition of Human cytomegalovirus pUL97 assessed as inhibition of phosphorylation of 100 to 1000 uM cyclopropavir
50032512	1	ChEMBL_681659 (CHEMBL1282590)	Binding affinity to human recombinant GABA alpha-1-beta-3-gamma-2 receptor
50032512	2	ChEMBL_681660 (CHEMBL1282591)	Binding affinity to human recombinant GABA alpha-2-beta-3-gamma-2 receptor
50032512	3	ChEMBL_681661 (CHEMBL1282592)	Binding affinity to human recombinant GABA alpha-3-beta-3-gamma-2 receptor
50032512	4	ChEMBL_681662 (CHEMBL1282593)	Binding affinity to human recombinant GABA alpha-4-beta-3-gamma-2 receptor
50032512	5	ChEMBL_681663 (CHEMBL1282594)	Binding affinity to human recombinant GABA alpha-5-beta-3-gamma-2 receptor
50032512	6	ChEMBL_681664 (CHEMBL1282595)	Binding affinity to human recombinant GABA alpha-1-beta-2-gamma-2 receptor
50032512	7	ChEMBL_681665 (CHEMBL1282596)	Binding affinity to human recombinant GABA alpha-2-beta-2-gamma-2 receptor
50032512	8	ChEMBL_681666 (CHEMBL1282597)	Binding affinity to human recombinant GABA alpha-3-beta-2-gamma-2 receptor
50032513	1	ChEMBL_685534 (CHEMBL1285701)	Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry
50032513	2	ChEMBL_685535 (CHEMBL1285702)	Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry
50032513	3	ChEMBL_685536 (CHEMBL1285703)	Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry
50032513	4	ChEMBL_685537 (CHEMBL1285704)	Inhibition of human carbonic anhydrase 1 by Lineweaver-Burke plot analysis
50032513	5	ChEMBL_685538 (CHEMBL1285705)	Inhibition of human carbonic anhydrase 2 by Lineweaver-Burke plot analysis
50032513	6	ChEMBL_685539 (CHEMBL1285706)	Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry
50032514	1	ChEMBL_685577 (CHEMBL1285355)	Inhibition of human recombinant renin in buffer
50032514	2	ChEMBL_685576 (CHEMBL1285354)	Inhibition of renin in plasma
50032514	3	ChEMBL_685578 (CHEMBL1285356)	Inhibition of renin in human plasma
50032514	4	ChEMBL_685579 (CHEMBL1285357)	Inhibition of renin in monkey plasma
50032514	5	ChEMBL_685580 (CHEMBL1285358)	Inhibition of renin in pH 7.4 buffer
50032514	6	ChEMBL_685590 (CHEMBL1285368)	Binding affinity to human recombinant renin by isothermal titration calorimetry
50032514	7	ChEMBL_685592 (CHEMBL1285370)	Inhibition of cathepsin D
50032514	8	ChEMBL_685593 (CHEMBL1285371)	Inhibition of cathepsin E
50032514	9	ChEMBL_685601 (CHEMBL1285379)	Inhibition of CYP3A4
50032514	10	ChEMBL_685605 (CHEMBL1285383)	Inhibition of human ERG
50032514	11	ChEMBL_685607 (CHEMBL1285385)	Inhibition of rat renin
50032514	12	ChEMBL_685608 (CHEMBL1285386)	Inhibition of mouse renin
50032514	13	ChEMBL_685609 (CHEMBL1285387)	Inhibition of rabbit renin
50032515	1	ChEMBL_683800 (CHEMBL1285191)	Inhibition of human seminal fluid DPP4
50032516	1	ChEMBL_683819 (CHEMBL1285210)	Inhibition of human AChE by Ellman method
50032516	2	ChEMBL_683822 (CHEMBL1285213)	Inhibition of human BChE by Ellman method
50032517	1	ChEMBL_683826 (CHEMBL1285217)	Inhibition of SCD1 in HEK293A cell microsomes assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins
50032517	2	ChEMBL_683828 (CHEMBL1285219)	Inhibition of human SCD1 expressed in HEK293A cells assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins
50032517	3	ChEMBL_683834 (CHEMBL1285225)	Inhibition of CYP1A2
50032517	4	ChEMBL_683835 (CHEMBL1285226)	Inhibition of CYP2C9
50032517	5	ChEMBL_683836 (CHEMBL1285227)	Inhibition of CYP2C19
50032517	6	ChEMBL_683837 (CHEMBL1285228)	Inhibition of CYP2D6
50032517	7	ChEMBL_683838 (CHEMBL1285229)	Inhibition of CYP3A4
50032517	8	ChEMBL_683825 (CHEMBL1285216)	Inhibition of human SCD1
50032517	9	ChEMBL_683827 (CHEMBL1285218)	Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins
50032518	1	ChEMBL_684298 (CHEMBL1286936)	Binding affinity to rat CYP2B1
50032518	2	ChEMBL_684297 (CHEMBL1286935)	Binding affinity to human CYP1A1
50032519	1	ChEMBL_684503 (CHEMBL1287512)	Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry
50032519	2	ChEMBL_684502 (CHEMBL1287511)	Inhibition of human PNP
50032519	3	ChEMBL_684504 (CHEMBL1287513)	Inhibition of human uridine phosphorylase
50032520	1	ChEMBL_684536 (CHEMBL1285239)	Inhibition of jack bean urease assessed as ammonia production after 15 mins by indophenol method
50032521	3	ChEMBL_684653 (CHEMBL1285620)	Inhibition of GluR4 expressed in HEK293 cells
50032521	4	ChEMBL_684654 (CHEMBL1285621)	Inhibition of GluR1 expressed in HEK cells
50032521	5	ChEMBL_684656 (CHEMBL1285623)	Inhibition of GluR2 flop expressed in HEK cells
50032521	6	ChEMBL_684657 (CHEMBL1285624)	Inhibition of rat recombinant GluR4 in cells
50032521	7	ChEMBL_684660 (CHEMBL1285627)	Inhibition of human recombinant GluR2
50032521	8	ChEMBL_684663 (CHEMBL1285630)	Agonist activity at GluR2 receptor
50032521	9	ChEMBL_684662 (CHEMBL1285629)	Inhibition of GluR3 expressed in HEK cells
50032522	1	ChEMBL_684684 (CHEMBL1285651)	Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay
50032522	2	ChEMBL_684688 (CHEMBL1285655)	Inhibition of human AKR1C1-mediated progesterone metabolism expressed in bovine aortic endothelial cells assessed as formation of 20alpha-hydroxyprogesterone pretreated for 2 hrs before progesterone challenge measured after 6 hrs by LC/MS analysis
50032522	3	ChEMBL_684679 (CHEMBL1285646)	Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assay
50032523	1	ChEMBL_684839 (CHEMBL1286069)	Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli
50032523	2	ChEMBL_684840 (CHEMBL1286070)	Inhibition of Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109
50032523	3	ChEMBL_684841 (CHEMBL1286071)	Inhibition of Candida albicans zinc dependent class 2 Fba
50032523	4	ChEMBL_684842 (CHEMBL1286072)	Inhibition of Mycobacterium tuberculosis zinc dependent class 2 Fba
50032523	5	ChEMBL_684843 (CHEMBL1286073)	Inhibition of Yersinia pestis zinc dependent class 2 Fba expressed in Escherichia coli BL21(DE3)
50035567	3	ChEMBL_59782 (CHEMBL671063)	Agonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]-Spiperone
50035569	3	ChEMBL_87234 (CHEMBL696454)	Inhibition constant was evaluated against Histamine N-methyl-transferase
50035569	4	ChEMBL_152425 (CHEMBL763772)	Inhibition constant was evaluated against PNMT
50035571	31	ChEMBL_155560 (CHEMBL871970)	Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricle
50035571	18	ChEMBL_156156 (CHEMBL760925)	Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain
50035571	30	ChEMBL_156155 (CHEMBL760924)	Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain
50035571	25	ChEMBL_155559 (CHEMBL760957)	Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricle
50035571	32	ChEMBL_156143 (CHEMBL760662)	Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle
50035571	20	ChEMBL_155564 (CHEMBL762676)	Inhibition of low Km cAMP phosphodiesterase PDE III of human platelets
50035571	28	ChEMBL_156166 (CHEMBL760935)	Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of sheep lung
50035571	21	ChEMBL_155566 (CHEMBL762678)	Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets
50035571	27	ChEMBL_156150 (CHEMBL760919)	Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lung
50035571	29	ChEMBL_156144 (CHEMBL760663)	Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle
50035571	19	ChEMBL_155565 (CHEMBL762677)	Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets
50035571	17	ChEMBL_156145 (CHEMBL760664)	Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle
50035571	23	ChEMBL_156149 (CHEMBL760755)	Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain
50035571	22	ChEMBL_155555 (CHEMBL759853)	Inhibition of low Km cyclic AMP phosphodiesterase PDE III of canine ventricle
50035571	24	ChEMBL_155703 (CHEMBL766280)	Binding affinity for low Km cAMP phosphodiesterase PDE II of sheep lung
50035571	26	ChEMBL_155702 (CHEMBL766279)	Binding affinity for low Km cAMP phosphodiesterase PDE III of sheep lung
50048690	1	ChEMBL_59869 (CHEMBL670610)	Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.
50048691	1	ChEMBL_38574 (CHEMBL652076)	Effective concentration against 125I]iodocyanopindolol(ICYP) binding to beta adrenergic receptor was determined
50048691	2	ChEMBL_38575 (CHEMBL652077)	KD constant value was evaluated for the displacement of ICYP (iodocyanopindolol) binding
50048691	3	ChEMBL_38576 (CHEMBL652078)	KD constant value was evaluated for the displacement of ICYP (iodocyanopindolol) binding in SF-49 lymphoma cell
50048691	4	ChEMBL_38573 (CHEMBL652075)	Effective concentration against 125I]iodocyanopindolol(ICYP) binding to beta adrenergic receptor was determined
50048691	5	ChEMBL_38577 (CHEMBL652079)	Effective concentration against 125I]iodocyanopindolol(ICYP) binding to beta adrenergic receptor was determined
50048692	1	ChEMBL_60016 (CHEMBL675841)	Inhibitory activity against [3H]NPA binding (0.45) to dopamine receptor in striata of female wistar rats
50048692	2	ChEMBL_60017 (CHEMBL675842)	Inhibitory activity against [3H]NPA binding (0.45) to dopamine receptors in striata of female wistar rats
50048693	1	ChEMBL_59870 (CHEMBL670611)	Ability to inhibit the binding of [3H]spiroperidol in rat striatal tissue
50048694	1	ChEMBL_32404 (CHEMBL648040)	Ability to displace [3H]prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro.
50032526	1	ChEMBL_684953 (CHEMBL1286368)	Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells by cyclase assay
50032526	2	ChEMBL_684952 (CHEMBL1286367)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells
50032526	3	ChEMBL_684955 (CHEMBL1286370)	Displacement of [3H]LSD from human cloned 5HT1A receptor expressed in human HeLa cells
50032526	4	ChEMBL_684956 (CHEMBL1286371)	Displacement of [3H]LSD from human cloned 5HT1B receptor expressed in human HeLa cells
50032526	5	ChEMBL_684957 (CHEMBL1286372)	Displacement of [3H]LSD from human cloned 5HT1D receptor expressed in human HeLa cells
50032526	6	ChEMBL_684958 (CHEMBL1286373)	Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in human HeLa cells
50032526	7	ChEMBL_684959 (CHEMBL1286374)	Displacement of [3H]LSD from human cloned 5HT2C receptor expressed in human HeLa cells
50032526	8	ChEMBL_684960 (CHEMBL1286375)	Displacement of [3H]LSD from human cloned 5HT7 receptor expressed in human HeLa cells
50032526	9	ChEMBL_684961 (CHEMBL1286376)	Displacement of [3H]LSD from human cloned alpha2A adrenergic receptor expressed in human HeLa cells
50032526	10	ChEMBL_684962 (CHEMBL1286377)	Displacement of [3H]LSD from human cloned dopamine D2 receptor expressed in human HeLa cells
50032527	1	ChEMBL_685005 (CHEMBL1286523)	Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins
50032527	2	ChEMBL_685006 (CHEMBL1286524)	Inhibition of human purified recombinant aurora-A kinase
50032529	2	ChEMBL_685030 (CHEMBL1286646)	Inhibition of NEK2 assessed as inhibition of substrate phosphorylation
50032529	4	ChEMBL_685027 (CHEMBL1286643)	Inhibition of NEK1 after 1 hr at room temperature by caliper method
50032529	5	ChEMBL_685026 (CHEMBL1286642)	Inhibition of PLK1 after 75 mins at room temperature by caliper method
50032530	1	ChEMBL_685035 (CHEMBL1286651)	Inhibition of Fischer-344 rat kidney AK1A1
50032530	2	ChEMBL_685039 (CHEMBL1286655)	Inhibition of AK1A1
50032530	3	ChEMBL_685038 (CHEMBL1286654)	Inhibition of Fischer-344 rat lens ALR2 by least-square analysis
50032530	4	ChEMBL_685034 (CHEMBL1286650)	Inhibition of rat lens ALR2
50032531	1	ChEMBL_685066 (CHEMBL1286682)	Binding affinity to human adenosine A1 receptor
50032531	2	ChEMBL_685070 (CHEMBL1286686)	Binding affinity to human adenosine A3 receptor
50032531	3	ChEMBL_685065 (CHEMBL1286681)	Binding affinity to bovine adenosine A3 receptor
50032531	4	ChEMBL_685068 (CHEMBL1286684)	Binding affinity to human adenosine A2b receptor
50032531	5	ChEMBL_685066 (CHEMBL1286682)	Binding affinity to human adenosine A1 receptor
50032531	6	ChEMBL_685067 (CHEMBL1286683)	Binding affinity to human adenosine A2a receptor
50032531	7	ChEMBL_685063 (CHEMBL1286679)	Binding affinity to bovine adenosine A1 receptor
50032531	9	ChEMBL_685067 (CHEMBL1286683)	Binding affinity to human adenosine A2a receptor
50032531	10	ChEMBL_685059 (CHEMBL1286675)	Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins
50032531	11	ChEMBL_685061 (CHEMBL1286677)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 180 mins
50032532	1	ChEMBL_685077 (CHEMBL1286693)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50032532	2	ChEMBL_685078 (CHEMBL1286694)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as increase of capsaicin-induced calcium uptake
50032532	3	ChEMBL_685080 (CHEMBL1286696)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium uptake
50032533	1	ChEMBL_685143 (CHEMBL1286959)	Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH
50032533	2	ChEMBL_685144 (CHEMBL1286960)	Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH
50032533	3	ChEMBL_685145 (CHEMBL1286961)	Inhibition of xanthine oxidase by in vitro enzymatic assay in presence of xanthine
50032533	4	ChEMBL_685165 (CHEMBL1286981)	Inhibition of human CYP2C9
50032533	5	ChEMBL_685162 (CHEMBL1286978)	Inhibition of human CYP2C19
50032533	6	ChEMBL_685163 (CHEMBL1286979)	Inhibition of human CYP3A4
50032533	7	ChEMBL_685161 (CHEMBL1286977)	Inhibition of human CYP2C8
50032533	8	ChEMBL_685172 (CHEMBL1286988)	Inhibition of human NOX1 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH
50032533	9	ChEMBL_685200 (CHEMBL1287088)	Inhibition of human CYP2D6
50032533	10	ChEMBL_685201 (CHEMBL1287089)	Inhibition of human CYP1A2
50032534	1	ChEMBL_685215 (CHEMBL1287103)	Inhibition of human CYP1A2 transfected in bactosome expression system by spectrofluorimetry
50032534	2	ChEMBL_685219 (CHEMBL1287107)	Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorimetry
50032534	3	ChEMBL_685218 (CHEMBL1287106)	Inhibition of human CYP2D6 transfected in bactosome expression system by spectrofluorimetry
50032534	4	ChEMBL_685217 (CHEMBL1287105)	Inhibition of human CYP2C19 transfected in bactosome expression system by spectrofluorimetry
50032534	5	ChEMBL_685216 (CHEMBL1287104)	Inhibition of human CYP2C9 transfected in bactosome expression system by spectrofluorimetry
50032535	1	ChEMBL_685265 (CHEMBL1287277)	Inhibition of Electrophorus electricus AChE after 120 secs by Ellman spectroscopic method
50032536	1	ChEMBL_685288 (CHEMBL1287300)	Inhibition of human NaV1.2 expressed in HEK cells at -60 mV holding potential by patch clamp recording technique
50032537	2	ChEMBL_685334 (CHEMBL1287449)	Binding affinity to human adenosine A2A receptor
50032537	3	ChEMBL_685333 (CHEMBL1287448)	Binding affinity to human adenosine A1 receptor
50048695	1	ChEMBL_146285 (CHEMBL756530)	In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the absence of NaCl.
50048695	2	ChEMBL_146286 (CHEMBL756531)	In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.
50032540	1	ChEMBL_685422 (CHEMBL1285321)	Inhibition of bovine alpha-chymotrypsin
50032540	2	ChEMBL_685423 (CHEMBL1285322)	Inhibition of Trypanosoma cruzi cruzaine
50032541	1	ChEMBL_685424 (CHEMBL1285323)	Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex
50032541	2	ChEMBL_685425 (CHEMBL1285324)	Displacement of [3H]N-R-methylhistamine from rat H3 receptor
50032541	3	ChEMBL_685426 (CHEMBL1285325)	Displacement of [3H]N-R-methylhistamine from human H3 receptor isolated from C6 cells
50032541	4	ChEMBL_685452 (CHEMBL1285351)	Inhibition of SERT
50032541	5	ChEMBL_685427 (CHEMBL1285326)	Inhibition of human NET
50032542	1	ChEMBL_685471 (CHEMBL1285502)	Inhibition of mushroom tyrosinase after 15 mins
50032542	2	ChEMBL_685472 (CHEMBL1285503)	Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Burke plot analysis
50032543	1	ChEMBL_685480 (CHEMBL1285511)	Inhibition of glycogen phosphorylase b
50032543	2	ChEMBL_685479 (CHEMBL1285510)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b
50032544	1	ChEMBL_685482 (CHEMBL1285513)	Inhibition of telomerase in human SGC7901 cells by TRAP assay
50032545	1	ChEMBL_685491 (CHEMBL1285522)	Binding affinity to 5HT4 receptor
50032545	2	ChEMBL_685492 (CHEMBL1285523)	Binding affinity to 5HT5A receptor
50032545	3	ChEMBL_685493 (CHEMBL1285524)	Binding affinity to 5HT6 receptor
50032545	4	ChEMBL_685494 (CHEMBL1285525)	Binding affinity to 5HT7 receptor
50032545	5	ChEMBL_685495 (CHEMBL1285526)	Binding affinity to dopamine D1
50032545	6	ChEMBL_685496 (CHEMBL1285527)	Binding affinity to dopamine D2
50032545	7	ChEMBL_685483 (CHEMBL1285514)	Binding affinity to human SERT
50032545	8	ChEMBL_685484 (CHEMBL1285515)	Binding affinity to human NET
50032545	9	ChEMBL_685485 (CHEMBL1285516)	Binding affinity to human DAT
50032545	10	ChEMBL_685486 (CHEMBL1285517)	Binding affinity to 5HT1A receptor
50032545	11	ChEMBL_685487 (CHEMBL1285518)	Binding affinity to 5HT1B receptor
50032545	12	ChEMBL_685488 (CHEMBL1285519)	Binding affinity to 5HT2A receptor
50032545	13	ChEMBL_685489 (CHEMBL1285520)	Binding affinity to 5HT2B receptor
50032545	14	ChEMBL_685490 (CHEMBL1285521)	Binding affinity to 5HT2C receptor
50032546	1	ChEMBL_685622 (CHEMBL1285400)	Inhibition of human thymidylate synthase expressed in Escherichia coli BL21
50032547	1	ChEMBL_685632 (CHEMBL1285410)	Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA
50003316	2	ChEMBL_54600 (CHEMBL667323)	In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice
50032548	1	ChEMBL_685644 (CHEMBL1285546)	Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting
50032549	1	ChEMBL_685658 (CHEMBL1285560)	Inhibition of rat recombinant nNOS
50032549	2	ChEMBL_685657 (CHEMBL1285559)	Inhibition of bovine recombinant eNOS
50032549	3	ChEMBL_685656 (CHEMBL1285558)	Inhibition of mouse recombinant iNOS
50032550	1	ChEMBL_685663 (CHEMBL1285565)	Inhibition of BRAF
50032550	2	ChEMBL_683880 (CHEMBL1285878)	Inhibition of C-raf
50032550	3	ChEMBL_683875 (CHEMBL1285873)	Inhibition of ABL1
50032550	4	ChEMBL_683883 (CHEMBL1285881)	Inhibition of YES1
50032550	5	ChEMBL_683876 (CHEMBL1285874)	Inhibition of EGFR
50032550	6	ChEMBL_683881 (CHEMBL1285879)	Inhibition of RET
50032550	7	ChEMBL_683879 (CHEMBL1285877)	Inhibition of MAPK14
50032550	9	ChEMBL_683878 (CHEMBL1285876)	Inhibition of LCK
50032550	10	ChEMBL_683882 (CHEMBL1285880)	Inhibition of TEK
50032551	1	ChEMBL_683902 (CHEMBL1285900)	Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins
50032552	1	ChEMBL_683924 (CHEMBL1286020)	Binding affinity to sigma1 receptor
50032553	1	ChEMBL_684074 (CHEMBL1286451)	Inhibition of mouse NaV1.8 expressed in HEK293 cells by isotopic efflux assay
50032553	2	ChEMBL_684073 (CHEMBL1286450)	Inhibition of tetrodotoxin-resistant NaV1.8 in rat dorsal root ganglion neurons at holding potential -100 mV by whole-cell patch clamp electrophysiology assay
50032553	3	ChEMBL_684076 (CHEMBL1286453)	Inhibition of human recombinant NaV1.2 by electrophysiology
50032553	4	ChEMBL_684075 (CHEMBL1286452)	Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional voltage clamp electrophysiology assay
50032555	1	ChEMBL_684105 (CHEMBL1286482)	Agonist activity at rat DAT expressed in CHO cells
50032556	1	ChEMBL_684106 (CHEMBL1286483)	Antagonist activity at adenosine A2A receptor
50032556	2	ChEMBL_684107 (CHEMBL1286484)	Antagonist activity at adenosine A1 receptor
50032557	2	ChEMBL_684637 (CHEMBL1285470)	Inhibition of human placenta 17beta-HSD2 using [2,4,6,7-3H]-17beta-estradiol as substrate after 10 mins
50032558	1	ChEMBL_684743 (CHEMBL1285770)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs
50032558	2	ChEMBL_684744 (CHEMBL1285771)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK292 cells after 3 hrs
50032558	3	ChEMBL_684745 (CHEMBL1285772)	Displacement of [3H]epibatidine from alpha7 nAChR in rat brain membranes after 2 hrs
50032558	4	ChEMBL_684748 (CHEMBL1285775)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay
50032558	5	ChEMBL_684749 (CHEMBL1285776)	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as inhibition of epibatidine-induced calcium influx by FLIPR assay
50032558	6	ChEMBL_684750 (CHEMBL1285777)	Partial agonist activity at rat alpha3beta4 nAChR expressed in HEK292 cells assessed as increase of calcium influx by FLIPR assay
50032559	1	ChEMBL_684759 (CHEMBL1285786)	Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl cyclase activity after 4.5 hrs by luciferase assay
50032560	1	ChEMBL_684761 (CHEMBL1285788)	Inhibition of human VEGFR2 after 30 mins by ELISA
50032560	2	ChEMBL_684762 (CHEMBL1285789)	Inhibition of human PDGFRbeta after 30 mins by ELISA
50032560	3	ChEMBL_684760 (CHEMBL1285787)	Inhibition of c-Kit after 30 mins by ELISA
50032560	4	ChEMBL_684763 (CHEMBL1285790)	Inhibition of VEGFR2-induced cell proliferation in HUVEC after 72 hrs by sulforhodamine B method
50032561	1	ChEMBL_684807 (CHEMBL1285944)	Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting
50032561	2	ChEMBL_684879 (CHEMBL1286203)	Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of MePhe7-NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
50032561	3	ChEMBL_684877 (CHEMBL1286201)	Antagonist activity against human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced increase of intracellular calcium level at 50 uM after 10 mins by fluorescent plate-reader analysis relative to control
50032561	4	ChEMBL_684880 (CHEMBL1286204)	Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of increase of intracellular calcium level by fluorescent plate-reader analysis
50032561	5	ChEMBL_684878 (CHEMBL1286202)	Antagonist activity against human NK3 receptor expressed in HEK293 cells assessed as inhibition of NKB-induced increase of intracellular calcium level by fluorescent plate-reader analysis
50032562	2	ChEMBL_684892 (CHEMBL1286216)	Inhibition of catalytic activity of human recombinant aminopeptidase N expressed in HEK293 cells
50035583	2	ChEMBL_61442 (CHEMBL670668)	In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spiperone from rat striatal membrane
50042190	2	ChEMBL_37818 (CHEMBL651193)	Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
50042190	3	ChEMBL_37826 (CHEMBL653458)	Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)
50002254	4	ChEMBL_27751 (CHEMBL641987)	Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.
50032563	2	ChEMBL_687847 (CHEMBL1291411)	Inhibition of human COX-2
50002254	5	ChEMBL_27757 (CHEMBL641993)	Binding affinity against A2 adenosine receptor in [3H]adenine-labeled guinea pig cerebral cortical slices
50035586	2	ChEMBL_29631 (CHEMBL636648)	Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.
50035587	4	ChEMBL_164138 (CHEMBL857426)	Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in human Daudi lymphoblastoid cells
50032564	1	ChEMBL_686224 (CHEMBL1292980)	Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay
50032565	1	ChEMBL_686239 (CHEMBL1292995)	Inhibition of human IMPDH1 expressed in Escherichia coli strain BL21(DE3) after 60 mins
50032565	2	ChEMBL_686240 (CHEMBL1292996)	Inhibition of human IMPDH2 expressed in Escherichia coli strain BL21(DE3) after 60 mins
50032566	1	ChEMBL_686273 (CHEMBL1293029)	Inhibition of PSMA in human LNCaP cells
50032567	1	ChEMBL_686294 (CHEMBL1293050)	Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis
50032567	2	ChEMBL_686295 (CHEMBL1293051)	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis
50032567	3	ChEMBL_686301 (CHEMBL1293057)	Inhibition of recombinant human HDAC1 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis
50032567	4	ChEMBL_686302 (CHEMBL1293058)	Inhibition of recombinant human HDAC6 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis
50002410	3	ChEMBL_30521 (CHEMBL643169)	Binding affinity against alanine racemase
50048698	1	ChEMBL_59874 (CHEMBL673000)	Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.
50048698	2	ChEMBL_59875 (CHEMBL673001)	Compound was tested for anti-dopamine activity in vitro by its ability to displace [3H]spiperone from rat brain striatal preparations,
50048699	1	ChEMBL_59878 (CHEMBL673004)	Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat striatal membrane.
50032568	3	ChEMBL_686305 (CHEMBL1293061)	Binding affinity to rat TRPV1
50048699	2	ChEMBL_60033 (CHEMBL672129)	compound was tested for inhibition of 0.5 nM [3H]spiroperidol binding to dopamine receptor from rat striatal membrane.
50032569	1	ChEMBL_686350 (CHEMBL1293106)	Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells
50032569	2	ChEMBL_686351 (CHEMBL1293107)	Inhibition of CYP2C19
50032569	3	ChEMBL_686352 (CHEMBL1293108)	Inhibition of CYP3A4
50032569	4	ChEMBL_686353 (CHEMBL1293109)	Inhibition of CYP1A2
50032569	5	ChEMBL_686354 (CHEMBL1293110)	Inhibition of CYP2B6
50032569	6	ChEMBL_686355 (CHEMBL1293111)	Inhibition of CYP2C9
50032569	7	ChEMBL_686356 (CHEMBL1293112)	Inhibition of CYP2D6
50032570	1	ChEMBL_686384 (CHEMBL1293140)	Inhibition of Plasmodium falciparum 3D7 HDAC1 in infected-human erythrocytes assessed as histone H4 hyperacetylation after 1.5 hrs by SDS-PAGE analysis
50032571	1	ChEMBL_686488 (CHEMBL1292275)	Inhibition of CYP2D6
50032571	2	ChEMBL_686487 (CHEMBL1292274)	Inhibition of CYP2C19
50032571	3	ChEMBL_686486 (CHEMBL1292273)	Inhibition of CYP2B6
50032571	4	ChEMBL_686485 (CHEMBL1292272)	Inhibition of CYP1A2
50032571	5	ChEMBL_686483 (CHEMBL1292270)	Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells
50032571	6	ChEMBL_686504 (CHEMBL1292291)	Antagonist activity at MCH-1 receptor
50032571	7	ChEMBL_686498 (CHEMBL1292285)	Binding affinity to MCH-1 receptor
50032571	8	ChEMBL_686484 (CHEMBL1292271)	Inhibition of CYP3A4
50032571	9	ChEMBL_686503 (CHEMBL1292290)	Inhibition of CYP2C9
50032573	1	ChEMBL_686508 (CHEMBL1292295)	Displacement of [3H]4-(benzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one from MCH-1 receptor expressed in CHO-K1 cells
50032573	2	ChEMBL_686515 (CHEMBL1292302)	Inhibition of CYP2D6
50032573	3	ChEMBL_686513 (CHEMBL1292300)	Inhibition of CYP2C9
50032573	4	ChEMBL_686521 (CHEMBL1292308)	Antagonistic activity at MCH-1 receptor expressed in CHO-K1 cell assessed as inhibition of MCH-induced calcium release
50032573	5	ChEMBL_686514 (CHEMBL1292301)	Inhibition of CYP2C19
50032573	6	ChEMBL_686511 (CHEMBL1292298)	Inhibition of CYP1A2
50032573	7	ChEMBL_686512 (CHEMBL1292299)	Inhibition of CYP2B6
50032573	8	ChEMBL_686509 (CHEMBL1292296)	Inhibition of human ERG expressed in HEK cells by mini-patch clamp assay
50032573	9	ChEMBL_686510 (CHEMBL1292297)	Inhibition of CYP3A4
50032574	1	ChEMBL_686535 (CHEMBL1292322)	Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay
50032574	2	ChEMBL_686537 (CHEMBL1292324)	Inhibition of CDK2
50032574	3	ChEMBL_686539 (CHEMBL1292326)	Inhibition of ABL1
50032574	4	ChEMBL_686540 (CHEMBL1292327)	Inhibition of Aurora A
50032574	6	ChEMBL_686542 (CHEMBL1292329)	Inhibition of B-raf
50032574	7	ChEMBL_686543 (CHEMBL1292330)	Inhibition of CDC42 BpB
50032574	14	ChEMBL_686609 (CHEMBL1292404)	Inhibition of CK2-alpha1
50032574	16	ChEMBL_686611 (CHEMBL1292406)	Inhibition of FAK
50032574	17	ChEMBL_686612 (CHEMBL1292407)	Inhibition of FLT3
50032574	18	ChEMBL_686613 (CHEMBL1292408)	Inhibition of IKK-beta
50032574	19	ChEMBL_686614 (CHEMBL1292409)	Inhibition of MEK-1
50032574	20	ChEMBL_686615 (CHEMBL1292410)	Inhibition of NEK-2
50032574	21	ChEMBL_686616 (CHEMBL1292411)	Inhibition of p38-alpha
50032574	22	ChEMBL_686617 (CHEMBL1292412)	Inhibition of PAK2
50032574	23	ChEMBL_686618 (CHEMBL1292413)	Inhibition of PBK
50032574	24	ChEMBL_686619 (CHEMBL1292414)	Inhibition of PDGFR-beta
50032574	25	ChEMBL_686620 (CHEMBL1292415)	Inhibition of PKC-beta1
50032574	26	ChEMBL_686621 (CHEMBL1292416)	Inhibition of PKC-theta
50032574	27	ChEMBL_686622 (CHEMBL1292417)	Inhibition of PLK1
50032574	28	ChEMBL_686624 (CHEMBL1292419)	Inhibition of SAK
50032574	29	ChEMBL_686625 (CHEMBL1292420)	Inhibition of SRC
50032574	30	ChEMBL_686626 (CHEMBL1292421)	Inhibition of TTK
50032574	31	ChEMBL_686627 (CHEMBL1292422)	Inhibition of VEGFR2
50032574	32	ChEMBL_686628 (CHEMBL1292423)	Inhibition of WEE1
50032575	1	ChEMBL_686632 (CHEMBL1292427)	Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 mins before menthol challenge measured after 5 mins
50032575	2	ChEMBL_686633 (CHEMBL1292428)	Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mins before icilin challenge measured after 5 mins
50032576	1	ChEMBL_686810 (CHEMBL1291109)	Displacement of [3H]-Quisqulic acid from mGlu5 receptor at 1 to 3 uM
50032576	2	ChEMBL_686639 (CHEMBL1292492)	Antagonist activity at human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells assessed as inhibition of (S)-glutamate/glycine-stimulated excitotoxicity treated 30 mins before (S)-glutamate/glycine challenge measured after 4 hrs by LDH release assay
50032576	3	ChEMBL_686645 (CHEMBL1292498)	Displacement of [3H](+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting
50032576	4	ChEMBL_686641 (CHEMBL1292494)	Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting
50032577	1	ChEMBL_686949 (CHEMBL1291360)	Inhibition of COX-2 mediated PGE2 production in LPS-induced mouse RAW264.7 cells
50032578	1	ChEMBL_687130 (CHEMBL1291707)	Inhibition of human 11beta-HSD1 by scintillation proximity assay
50032578	2	ChEMBL_687131 (CHEMBL1291708)	Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay
50032579	1	ChEMBL_687157 (CHEMBL1291782)	Positive modulation of human GluA2 flip receptor by FLIPR assay
50032579	2	ChEMBL_687158 (CHEMBL1291783)	Displacement of [3H]-dofetilide from human hERG
50032580	2	ChEMBL_687171 (CHEMBL1291796)	Inhibition of human MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate
50032581	1	ChEMBL_687185 (CHEMBL1291810)	Inhibition of human voltage-gated potassium channel Kv1.3 expressed in CGE22 cells by patch clamp assay
50032581	2	ChEMBL_687186 (CHEMBL1291811)	Inhibition of human voltage-gated potassium channel Kv1.3 expressed in L929 cells by whole-cell patch clamp assay
50032582	1	ChEMBL_687187 (CHEMBL1291812)	Inhibition of human Kv1.3 ion channel expressed in CGE22 cells
50032582	2	ChEMBL_687189 (CHEMBL1291814)	Inhibition of human Kv1.5 ion channel expressed in CHO K1 cells
50032583	1	ChEMBL_687290 (CHEMBL1291966)	Binding affinity at mu-opioid receptor
50032583	2	ChEMBL_687284 (CHEMBL1291960)	Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting
50032583	3	ChEMBL_687285 (CHEMBL1291961)	Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting
50032583	4	ChEMBL_687286 (CHEMBL1291962)	Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting
50032584	1	ChEMBL_687291 (CHEMBL1291967)	Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA
50032585	1	ChEMBL_687315 (CHEMBL1291991)	Displacement of [3H]SCH 23990 from dopamine D1 receptor in porcine cerebral cortex membranes
50032585	2	ChEMBL_687314 (CHEMBL1291990)	Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells
50032585	3	ChEMBL_687313 (CHEMBL1291989)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells
50032585	4	ChEMBL_687312 (CHEMBL1291988)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50032585	5	ChEMBL_687309 (CHEMBL1291985)	Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes
50032585	6	ChEMBL_687303 (CHEMBL1291979)	Agonist activity at human dopamine D3 receptor expressed in CHO dhfr-negative cells assessed as stimulation of [3H]-thymidine incorporation
50032585	7	ChEMBL_687301 (CHEMBL1291977)	Agonist activity at human dopamine receptor D2long expressed in CHO10001 cells assessed as stimulation of incorporation [3H]-thymidine incorporation
50032585	8	ChEMBL_687305 (CHEMBL1291981)	Binding affinity to human dopamine D3 receptor expressed in CHO cells
50032585	9	ChEMBL_687304 (CHEMBL1291980)	Binding affinity to human dopamine D2 receptor expressed in CHO cells
50032586	1	ChEMBL_687417 (CHEMBL1292093)	Inhibition of human cathepsin K by fluorescence assay
50032586	2	ChEMBL_687418 (CHEMBL1292094)	Inhibition of human cathepsin B by fluorescence assay
50032586	3	ChEMBL_687419 (CHEMBL1292095)	Inhibition of human cathepsin L by fluorescence assay
50032586	4	ChEMBL_687420 (CHEMBL1292096)	Inhibition of human cathepsin V by fluorescence assay
50032586	5	ChEMBL_687421 (CHEMBL1292097)	Inhibition of cathepsin S in human JY cells assessed as Lip10 accumulation by Western blotting
50032586	6	ChEMBL_687416 (CHEMBL1292092)	Inhibition of human cathepsin S by fluorescence assay
50032587	1	ChEMBL_687425 (CHEMBL1292101)	Inhibition of STAT3 in human HeLa cells by luciferase reporter assay
50032588	1	ChEMBL_687431 (CHEMBL1292107)	Inhibition of PI3Kalpha
50032588	2	ChEMBL_687432 (CHEMBL1292108)	Inhibition of PI3Kbeta
50032588	3	ChEMBL_687433 (CHEMBL1292109)	Inhibition of PI3Kdelta
50032588	4	ChEMBL_687434 (CHEMBL1292110)	Inhibition of PI3Kgamma
50032588	5	ChEMBL_687438 (CHEMBL1292114)	Inhibition of PDK1
50032589	1	ChEMBL_687441 (CHEMBL1292117)	Inhibition of Staphylococcus aureus Sortase A
50032589	2	ChEMBL_687440 (CHEMBL1292116)	Inhibition of Candida albicans isocitrate lyase
50032590	1	ChEMBL_687478 (CHEMBL1292154)	Inhibition of human PLK1
50032590	2	ChEMBL_687477 (CHEMBL1292153)	Inhibition of human Nek3
50032590	3	ChEMBL_687475 (CHEMBL1292151)	Inhibition of human VRK1
50032590	4	ChEMBL_687476 (CHEMBL1292152)	Inhibition of human WEE1
50032590	5	ChEMBL_687474 (CHEMBL1292150)	Inhibition of human CK1-alpha1
50032590	7	ChEMBL_687472 (CHEMBL1292148)	Inhibition of human p38-alpha
50032590	8	ChEMBL_687470 (CHEMBL1292146)	Inhibition of human PKC-iota
50032590	9	ChEMBL_687471 (CHEMBL1292147)	Inhibition of human ERK1
50032590	10	ChEMBL_687469 (CHEMBL1292145)	Inhibition of human PKC-gamma
50032590	11	ChEMBL_687467 (CHEMBL1292143)	Inhibition of human Aurora A
50032590	12	ChEMBL_687468 (CHEMBL1292144)	Inhibition of human Aurora C
50032590	13	ChEMBL_687466 (CHEMBL1292142)	Inhibition of human HIPK1
50032590	14	ChEMBL_687465 (CHEMBL1292141)	Inhibition of human DYRK1A
50032590	16	ChEMBL_687464 (CHEMBL1292140)	Inhibition of human CLK1
50032590	19	ChEMBL_687460 (CHEMBL1292136)	Inhibition of human LIMK1
50032590	20	ChEMBL_687459 (CHEMBL1292135)	Inhibition of human IRAK1
50032590	21	ChEMBL_687458 (CHEMBL1292134)	Inhibition of human TIE2
50032590	22	ChEMBL_687456 (CHEMBL1292132)	Inhibition of human InsRR
50032590	23	ChEMBL_687457 (CHEMBL1292133)	Inhibition of human PDGFR-beta
50032590	25	ChEMBL_687454 (CHEMBL1292130)	Inhibition of human FAK
50032590	26	ChEMBL_687452 (CHEMBL1292128)	Inhibition of human ABL1
50032590	27	ChEMBL_687453 (CHEMBL1292129)	Inhibition of human ABL2
50032590	28	ChEMBL_687451 (CHEMBL1292127)	Inhibition of VEGFR2
50032590	30	ChEMBL_687449 (CHEMBL1292125)	Inhibition of EGFR
50032590	31	ChEMBL_687448 (CHEMBL1292124)	Inhibition of IGF1R
50032591	1	ChEMBL_687483 (CHEMBL1292159)	Inhibition of human recombinant p38alpha
50032591	2	ChEMBL_687485 (CHEMBL1292161)	Inhibition of KDR
50032591	3	ChEMBL_687486 (CHEMBL1292162)	Inhibition of Btk
50032591	4	ChEMBL_687488 (CHEMBL1292164)	Inhibition of MK2
50032591	5	ChEMBL_687489 (CHEMBL1292165)	Inhibition of Itk
50032591	6	ChEMBL_687490 (CHEMBL1292166)	Inhibition of STAT3
50032591	7	ChEMBL_687491 (CHEMBL1292167)	Inhibition of FGFR1
50032591	8	ChEMBL_687493 (CHEMBL1292169)	Inhibition of Syk
50032591	9	ChEMBL_687494 (CHEMBL1292170)	Inhibition of IGF-1R
50032591	10	ChEMBL_687495 (CHEMBL1292171)	Inhibition of Jak3
50032591	11	ChEMBL_687496 (CHEMBL1292172)	Inhibition of Lck
50032591	12	ChEMBL_687499 (CHEMBL1292175)	Inhibition of Tyk2
50032591	13	ChEMBL_687500 (CHEMBL1292176)	Inhibition of PLK1
50032591	14	ChEMBL_687501 (CHEMBL1292177)	Inhibition of DGAT
50032591	15	ChEMBL_687502 (CHEMBL1292178)	Inhibition of PKAbeta
50032591	17	ChEMBL_687504 (CHEMBL1292180)	Inhibition of PKCdelta
50032591	18	ChEMBL_687506 (CHEMBL1292182)	Inhibition of PKCzeta
50032591	19	ChEMBL_687510 (CHEMBL1292186)	Inhibition of CYP1A2
50032591	20	ChEMBL_687514 (CHEMBL1292190)	Inhibition of human ERG by flux assay
50032591	21	ChEMBL_687517 (CHEMBL1292193)	Inhibition of CYP3A4
50032591	22	ChEMBL_687516 (CHEMBL1292192)	Inhibition of CYP2D6
50032591	23	ChEMBL_687519 (CHEMBL1292195)	Inhibition of CYP2C9
50032591	24	ChEMBL_687518 (CHEMBL1292194)	Inhibition of CYP2C19
50032592	1	ChEMBL_687622 (CHEMBL1290946)	Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection
50032592	2	ChEMBL_687623 (CHEMBL1290947)	Antagonist activity at CCR5 in human peripheral blood lymphocytes cells assessed as inhibition of HIV-1 Ba-L infection
50032593	1	ChEMBL_687653 (CHEMBL1290977)	Inhibition of activated protein C
50032593	2	ChEMBL_687650 (CHEMBL1290974)	Inhibition of factor 2a
50032593	3	ChEMBL_687648 (CHEMBL1290972)	Inhibition of factor 11a
50035590	1	ChEMBL_70654 (CHEMBL678644)	Compound was tested for inhibitory constant of Gamma-amino-N-butyrate transaminase in pig brain at pH of 8.5 and 25 degree C
50048700	1	ChEMBL_145727 (CHEMBL755014)	Compound was tested for irreversible antagonistic activity against opioid receptor in electrically stimulated longitudinal muscle of guinea pig ileum
50048700	2	ChEMBL_146139 (CHEMBL754145)	Compound was tested for antagonistic activity against opioid receptor in mouse vas deferens
50048700	3	ChEMBL_145724 (CHEMBL755011)	Compound was tested for agonist activity against opioid receptor in electrically stimulated longitudinal muscle of guinea pig ileum
50048700	4	ChEMBL_145726 (CHEMBL755013)	Compound was tested for antagonistic activity against opioid receptor in electrically stimulated longitudinal muscle of guinea pig ileum
50048701	1	ChEMBL_146289 (CHEMBL873626)	The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand
50048701	2	ChEMBL_146016 (CHEMBL752707)	Compound was tested for agonist activity against opioid receptor in mouse vas deferens preparation
50048702	1	ChEMBL_49564 (CHEMBL663480)	Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor
50048702	2	ChEMBL_49423 (CHEMBL659444)	Compound was tested for inhibition of [125I]-CCK binding to Cholecystokinin receptor in guinea pig cortical membranes
50035595	2	ChEMBL_36890 (CHEMBL648350)	Inhibition of guinea pig angiotensin I converting enzyme
50048703	1	ChEMBL_33184 (CHEMBL642058)	Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes.
50048703	2	ChEMBL_33185 (CHEMBL642212)	Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes.
50048704	1	ChEMBL_33561 (CHEMBL648423)	Displacement of [3H]prazosin from alpha-1 adrenergic receptor from rat brain cerebral cortex
50048704	2	ChEMBL_33764 (CHEMBL650237)	Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.
50032596	1	ChEMBL_687685 (CHEMBL1291069)	Inhibition of CYP1A2
50032596	2	ChEMBL_687686 (CHEMBL1291070)	Inhibition of CYP2C8
50032596	3	ChEMBL_687687 (CHEMBL1291071)	Inhibition of CYP2D6
50032596	4	ChEMBL_687688 (CHEMBL1291072)	Inhibition of CYP3A4
50032596	5	ChEMBL_687689 (CHEMBL1291073)	Inhibition of CYP2C9
50032596	6	ChEMBL_687690 (CHEMBL1291074)	Inhibition of CYP2C19
50032596	7	ChEMBL_687691 (CHEMBL1291075)	Inhibition of human ERG
50032597	3	ChEMBL_687877 (CHEMBL1291441)	Antagonist activity at human CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins
50032597	4	ChEMBL_687876 (CHEMBL1291440)	Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter
50032597	5	ChEMBL_687881 (CHEMBL1291445)	Inhibition of human ERG
50032597	6	ChEMBL_687882 (CHEMBL1291446)	Inhibition of rat CCR2
50032597	7	ChEMBL_687883 (CHEMBL1291447)	Inhibition of cynomolgus CCR2
50032597	8	ChEMBL_687884 (CHEMBL1291448)	Inhibition of mouse CCR1
50032598	1	ChEMBL_687945 (CHEMBL1291617)	Antagonist activity at prostanoid DP1 receptor
50032598	2	ChEMBL_686544 (CHEMBL1292331)	Antagonist activity at prostanoid TP receptor
50032598	3	ChEMBL_686546 (CHEMBL1292333)	Binding affinity to prostanoid receptor EP1 receptor
50032598	4	ChEMBL_686547 (CHEMBL1292334)	Binding affinity to prostanoid receptor EP2 receptor
50032598	5	ChEMBL_686548 (CHEMBL1292335)	Binding affinity to prostanoid receptor EP3 receptor
50032598	6	ChEMBL_686549 (CHEMBL1292336)	Binding affinity to prostanoid receptor EP4 receptor
50032598	7	ChEMBL_686550 (CHEMBL1292337)	Binding affinity to prostanoid receptor FP receptor
50032598	8	ChEMBL_686551 (CHEMBL1292338)	Binding affinity to prostanoid receptor IP receptor
50032598	9	ChEMBL_686553 (CHEMBL1292340)	Antagonist activity at prostanoid DP1 receptor in human platelet assessed as inhibition of PGD2 induced accumulation of cAMP
50032598	10	ChEMBL_686554 (CHEMBL1292341)	Antagonist activity at TP receptor in human platelet assessed as thromboxane A2- induced platelet aggregation
50032599	1	ChEMBL_686569 (CHEMBL1292356)	Binding affinity at mGluR2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins
50032599	2	ChEMBL_686570 (CHEMBL1292357)	Binding affinity at mGluR4 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 10 mins
50032600	1	ChEMBL_686691 (CHEMBL1290871)	Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis
50032601	1	ChEMBL_686701 (CHEMBL1290881)	Inhibition of human Cat K expressed in Ramos cells
50032601	2	ChEMBL_686702 (CHEMBL1290882)	Inhibition of human Cat V
50032601	3	ChEMBL_686698 (CHEMBL1290878)	Inhibition of human Cat F expressed in rabbit HIG82 cells
50032601	4	ChEMBL_686699 (CHEMBL1290879)	Inhibition of human Cat L
50032601	5	ChEMBL_686700 (CHEMBL1290880)	Inhibition of human Cat S expressed in Ramos cells
50032601	6	ChEMBL_686696 (CHEMBL1290876)	Inhibition of Trypanosoma cruzi Cruzipain
50032601	7	ChEMBL_686697 (CHEMBL1290877)	Inhibition of human Cat B in HepG2 cells
50032602	1	ChEMBL_686723 (CHEMBL1290903)	Inhibition of mushroom tyrosinase
50032603	1	ChEMBL_686759 (CHEMBL1290998)	Competitive inhibition of bovine pancreatic RNase A ribonucleolytic activity of by Dixon plot analysis
50032604	1	ChEMBL_686861 (CHEMBL1291160)	Displacement of labeled MK-499 from human ERG
50032604	2	ChEMBL_686762 (CHEMBL1291001)	Inhibition of 12-lipoxygenase
50032604	3	ChEMBL_686763 (CHEMBL1291002)	Inhibition of 15-lipoxygenase
50032604	4	ChEMBL_686764 (CHEMBL1291003)	Inhibition of 5-lipoxygenase activating protein
50032604	5	ChEMBL_686760 (CHEMBL1290999)	Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation
50032604	6	ChEMBL_686761 (CHEMBL1291000)	Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production
50032605	1	ChEMBL_686871 (CHEMBL1291240)	Binding affinity to human ERG expressed in HEK cells by radioligand displacement assay
50032605	2	ChEMBL_686866 (CHEMBL1291235)	Inhibition of JAK2 in cell-free system
50032605	3	ChEMBL_686867 (CHEMBL1291236)	Inhibition of JAK2 expressed in human Du-145 cells
50032606	1	ChEMBL_686888 (CHEMBL1291257)	Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins
50032606	2	ChEMBL_686887 (CHEMBL1291256)	Inhibition of Saccharomyces cerevisiae CTS1
50032606	3	ChEMBL_686889 (CHEMBL1291258)	Inhibition of human chitinase
50032607	1	ChEMBL_686925 (CHEMBL1291294)	Competitive inhibition of recombinant sphingosine kinase 1 using D-erythro-sphingosine as substrate by Lineweaver-Burke plot analysis
50032608	1	ChEMBL_686928 (CHEMBL1291339)	Inhibition of mushroom tyrosinase after 20 mins by spectrophotometric analysis
50032609	1	ChEMBL_686940 (CHEMBL1291351)	Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burke plot analysis
50035599	2	ChEMBL_162176 (CHEMBL766696)	Compound was tested for inhibition of purine nucleoside phosphorylase using human erythro lysate
50035600	8	ChEMBL_153979 (CHEMBL857561)	Compound was tested for inhibition of porcine pepsin
50035601	4	ChEMBL_195744 (CHEMBL801596)	Inhibition of human plasma renin
50048705	1	ChEMBL_59883 (CHEMBL673009)	Affinity for Dopamine receptors in the rat striatum using [3H]spiroperidol displacement.
50032611	2	ChEMBL_687106 (CHEMBL1291683)	Inhibition of human COX-2
50048706	1	ChEMBL_59886 (CHEMBL673012)	Compound was tested in vitro for its ability to displace [3H]spiroperidol from labeled dopamine receptors of corpus striatum
50048706	2	ChEMBL_59884 (CHEMBL673010)	Ability to displace [3H]spiroperidol from labeled Dopamine receptor of corpus striatum
50048706	3	ChEMBL_60003 (CHEMBL673315)	Compound was tested in vitro for its ability to displace [3H]spiroperidol from labeled dopamine receptors of corpus striatum
50032612	1	ChEMBL_687201 (CHEMBL1291826)	Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of calcium ionophore A23187
50032612	2	ChEMBL_687200 (CHEMBL1291825)	Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of calcium ionophore A23188 and lipopolysaccharide
50032613	1	ChEMBL_687324 (CHEMBL1292000)	Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting
50032613	2	ChEMBL_687325 (CHEMBL1292001)	Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins before NECA challenge measured after 1 hr
50032613	3	ChEMBL_687326 (CHEMBL1292002)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs
50032613	4	ChEMBL_687329 (CHEMBL1292005)	Antagonist activity at adenosien A2B receptor in human HMC-1 cells assessed as inhibition of NECA-induced IL-8 release after 6 hr by ELISA
50032613	5	ChEMBL_687323 (CHEMBL1291999)	Displacement of [3H]SCH58261 from human adenosine A2A receptor transfected in HEK293 cells
50032614	1	ChEMBL_687332 (CHEMBL1292008)	Displacement of [3H]-dofetilide from human ERG
50032615	1	ChEMBL_687365 (CHEMBL1292041)	Inhibition of CYP1A2
50032615	2	ChEMBL_687366 (CHEMBL1292042)	Inhibition of CYP2C9
50032615	3	ChEMBL_687367 (CHEMBL1292043)	Inhibition of CYP2C19
50032615	4	ChEMBL_687368 (CHEMBL1292044)	Inhibition of CYP2D6
50032615	5	ChEMBL_687369 (CHEMBL1292045)	Inhibition of CYP3A4
50032616	1	ChEMBL_687384 (CHEMBL1292060)	Inhibition of human CD45-cytoplasmic domain at 150 uM after 10 mins by Kitz-Wilson analysis
50032616	2	ChEMBL_687385 (CHEMBL1292061)	Inhibition of human CD45-cytoplasmic domain at 35 uM after 10 mins by Kitz-Wilson analysis
50032617	1	ChEMBL_687401 (CHEMBL1292077)	Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting
50032618	1	ChEMBL_687528 (CHEMBL1292204)	Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as Ca2+ influx by FLIPR assay
50032618	2	ChEMBL_687415 (CHEMBL1292091)	Displacement of [3H]-MPEP from human mGluR5
50048706	4	ChEMBL_59885 (CHEMBL673011)	Compound was tested in vitro for its ability to displace [3H]spiroperidol from labeled Dopamine receptor of corpus striatum
50048707	1	ChEMBL_143180 (CHEMBL749843)	Concentration required to inhibit opiate receptor using radioligand [3H]- Etorphine
50032620	1	ChEMBL_687566 (CHEMBL1290838)	Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method
50032620	2	ChEMBL_687565 (CHEMBL1290837)	Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method
50032620	3	ChEMBL_687568 (CHEMBL1290840)	Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method
50032620	4	ChEMBL_687567 (CHEMBL1290839)	Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method
50032621	1	ChEMBL_687739 (CHEMBL1291185)	Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay
50032621	2	ChEMBL_687740 (CHEMBL1291186)	Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay
50032621	3	ChEMBL_687741 (CHEMBL1291187)	Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay
50048708	1	ChEMBL_146277 (CHEMBL756522)	Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane
50048709	1	ChEMBL_154393 (CHEMBL759155)	Inhibition of cardiac PDE 3 (phosphodiesterase III)
50048709	2	ChEMBL_154394 (CHEMBL759156)	Inhibition of cardiac PDE 3 (phosphodiesterase III)
50048710	1	ChEMBL_206368 (CHEMBL813258)	Concentration (IC50) to inhibit the growth of Streptococcus faecalis.
50032621	40	ChEMBL_687745 (CHEMBL1291191)	Inhibition of recombinant Erk2 after 60 mins by TR-FRET assay
50032621	41	ChEMBL_687746 (CHEMBL1291192)	Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay
50032622	1	ChEMBL_687786 (CHEMBL1291232)	Inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C after 100 seconds
50032622	2	ChEMBL_687788 (CHEMBL1291296)	Uncompetitive inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis
50032622	3	ChEMBL_687789 (CHEMBL1291297)	Mixed-type inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis
50032622	4	ChEMBL_687790 (CHEMBL1291298)	Non-competitive inhibition of Bacillus cereus phosphatidylcholine preferred phospholipase C by Dixon plot analysis
50035604	5	ChEMBL_204597 (CHEMBL813359)	Inhibition of Steroid 5-alpha-reductase from rat prostate
50035604	7	ChEMBL_204733 (CHEMBL805426)	Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined
50035604	8	ChEMBL_204732 (CHEMBL805425)	Apparent inhibitory constant value for rat prostatic steroid 5alpha reductase was determined
50035604	9	ChEMBL_36310 (CHEMBL652259)	In vitro antagonist activity against rat prostatic androgen receptor (AR)
50035604	3	ChEMBL_204731 (CHEMBL856602)	Apparent inhibitory constant value for rat prostatic 5-alpha reductase was determined
50032624	1	ChEMBL_687952 (CHEMBL1291624)	Inhibition of human recombinant NQO1
50035604	6	ChEMBL_204734 (CHEMBL805427)	In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase
50032625	1	ChEMBL_687982 (CHEMBL1291654)	Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G
50032626	1	ChEMBL_688018 (CHEMBL1291742)	Inhibition of DPP9
50032626	2	ChEMBL_688019 (CHEMBL1291743)	Inhibition of CYP1A2 in human liver microsomes after 10 mins
50032626	3	ChEMBL_688020 (CHEMBL1291744)	Inhibition of CYP2D6 in human liver microsomes after 10 mins
50032626	4	ChEMBL_688021 (CHEMBL1291745)	Inhibition of CYP3A4 in human liver microsomes after 10 mins
50032626	5	ChEMBL_688015 (CHEMBL1291739)	Inhibition of human plasma DPP4
50032626	6	ChEMBL_688017 (CHEMBL1291741)	Inhibition of DPP8
50032627	1	ChEMBL_685791 (CHEMBL1292547)	Inhibition of human CYP3A4
50032627	2	ChEMBL_685792 (CHEMBL1292548)	Inhibition of human CYP2C19
50032627	3	ChEMBL_685793 (CHEMBL1292549)	Inhibition of human CYP2C9
50032627	4	ChEMBL_685794 (CHEMBL1292550)	Inhibition of human CYP2D6
50032628	1	ChEMBL_685959 (CHEMBL1292715)	Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50032628	2	ChEMBL_685961 (CHEMBL1292717)	Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells
50032629	1	ChEMBL_686062 (CHEMBL1292818)	Inhibition of TACE
50032629	2	ChEMBL_686064 (CHEMBL1292820)	Inhibition of MMP1
50032629	3	ChEMBL_686065 (CHEMBL1292821)	Inhibition of MMP2
50032629	4	ChEMBL_686066 (CHEMBL1292822)	Inhibition of MMP3
50032629	5	ChEMBL_686067 (CHEMBL1292823)	Inhibition of MMP7
50032629	7	ChEMBL_686069 (CHEMBL1292825)	Inhibition of MMP13
50032629	8	ChEMBL_686070 (CHEMBL1292826)	Inhibition of ADAM10
50048711	1	ChEMBL_2368 (CHEMBL872918)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates
50048712	1	ChEMBL_38291 (CHEMBL648320)	Compound was tested for its intrinsic activity against beta adrenergic receptor of isolated guinea pig atrial pairs
50048713	1	ChEMBL_1885 (CHEMBL616482)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain cortical membranes
50048713	2	ChEMBL_767 (CHEMBL615869)	Binding affinity towards 5-hydroxytryptamine 1 receptor in brain cortical membranes of rat
50048713	3	ChEMBL_774 (CHEMBL615480)	Tested for its binding affinity towards 5-hydroxytryptamine 1 receptor in rat
50032631	1	ChEMBL_697759 (CHEMBL1632819)	Inhibition of Akt1
50032631	2	ChEMBL_697761 (CHEMBL1632821)	Inhibition of Akt in human LNCaP cell assessed as inhibition of PRAS40 phosphorylation
50032632	1	ChEMBL_694780 (CHEMBL1639617)	Inhibition of human recombinant COX2 expressed in baculovirus infected SF21 cell
50048714	1	ChEMBL_42923 (CHEMBL654566)	Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate
50003199	2	ChEMBL_80649 (CHEMBL691935)	Inhibition of solubilized, partially purified rat liver HMG-CoA reductase
50003201	4	ChEMBL_58707 (CHEMBL672051)	Compound was for its ability to displace [3H]haloperidol binding to rat striatal Dopamine receptor D2
50048715	1	ChEMBL_2400 (CHEMBL617678)	Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 receptor
50032633	3	ChEMBL_694810 (CHEMBL1639757)	Inhibition of CYP2C9
50032633	4	ChEMBL_694809 (CHEMBL1639756)	Inhibition of CYP2D6
50032633	5	ChEMBL_694808 (CHEMBL1639755)	Inhibition of CYP3A4
50048715	2	ChEMBL_797 (CHEMBL615401)	Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex
50032634	1	ChEMBL_696703 (CHEMBL1638615)	Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes
50032634	2	ChEMBL_696702 (CHEMBL1638614)	Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes
50032634	3	ChEMBL_696701 (CHEMBL1638613)	Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes
50032634	4	ChEMBL_696704 (CHEMBL1638616)	Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes
50032634	5	ChEMBL_696706 (CHEMBL1638618)	Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting
50032634	6	ChEMBL_696705 (CHEMBL1638617)	Displacement of [3H]flunitrazepam from human alpha5beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting
50048716	1	ChEMBL_202581 (CHEMBL806331)	In vitro inhibition of rat neuronal (synaptosomal) GABA uptake.
50048717	1	ChEMBL_155558 (CHEMBL760956)	Inhibition of guinea pig phosphodiesterase type III
50048717	2	ChEMBL_158557 (CHEMBL768700)	Inhibition of guinea pig phosphodiesterase type III
50048717	3	ChEMBL_155557 (CHEMBL760955)	Inhibition of guinea pig phosphodiesterase type III
50035611	8	ChEMBL_104961 (CHEMBL878217)	Inhibitory constant against rat Methionine adenosyltransferase was reported
50035611	9	ChEMBL_104809 (CHEMBL709694)	Competitive inhibition of rat methionine adenosyltransferase, activity expressed as Ki
50035611	10	ChEMBL_104963 (CHEMBL715644)	Inhibitory constant against rat methionine adenosyltransferase was reported
50002413	5	ChEMBL_158423 (CHEMBL763064)	Inhibition of Prostaglandin G/H synthase from ram seminal vesicle microsomes
50035612	2	ChEMBL_30711 (CHEMBL646478)	Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand
50035613	18	ChEMBL_1887 (CHEMBL616483)	Binding affinity towards 5-hydroxytryptamine 2 receptor measured using radioligand ([3H]spiperone) binding assay
50035613	22	ChEMBL_33977 (CHEMBL645242)	In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101
50035613	17	ChEMBL_770 (CHEMBL615872)	Binding affinity towards 5-hydroxytryptamine 1 receptor was measured using radioligand ([3H]5-HT) binding assay
50035613	20	ChEMBL_1949 (CHEMBL617556)	Compound was tested for its effect on 5-hydroxytryptamine 2 receptor saturation analysis
50035613	19	ChEMBL_60038 (CHEMBL672134)	Compound was tested for its effect on dopamine saturation analysis
50035613	21	ChEMBL_138662 (CHEMBL748805)	Binding affinity against Muscarinic acetylcholine receptor was measured using radioligand ([3H]QNB) binding assay
50032636	1	ChEMBL_696726 (CHEMBL1638638)	Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay
50032636	2	ChEMBL_696727 (CHEMBL1638639)	Partial agonist activity at human PPARgamma-LBD expressed in HEK293T cells assessed as induction of receptor transactivation after 24 hrs by luciferase reporter gene assay
50032637	1	ChEMBL_695368 (CHEMBL1638905)	Inhibition of HCV NS5B polymerase
50035613	2	ChEMBL_58473 (CHEMBL670404)	Compound was tested in vitro for its affinity towards rat striatal Dopamine receptor D2 labeled with [3H]- spiperone
50032639	1	ChEMBL_696425 (CHEMBL1640278)	Agonist activity at human PPAR-alpha expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay
50032639	2	ChEMBL_696426 (CHEMBL1640279)	Agonist activity at human PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay
50032639	3	ChEMBL_696427 (CHEMBL1640280)	Agonist activity at human PPAR-gamma expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay
50032639	4	ChEMBL_696429 (CHEMBL1640282)	Agonist activity at mouse PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay
50032640	1	ChEMBL_697248 (CHEMBL1640792)	Inhibition of human TACE by fluorescent spectroscopy
50035613	16	ChEMBL_1891 (CHEMBL616487)	Binding affinity towards 5-hydroxytryptamine 2 receptor was measured using radioligand ([3H]spiperone) binding assay
50035613	15	ChEMBL_33908 (CHEMBL645517)	Binding affinity against alpha-2 adrenergic receptor was measured using radioligand ([3H]clonidine) binding assay
50048718	1	ChEMBL_32319 (CHEMBL643512)	The compound was evaluated for the binding affinity towards alpha-2 adrenergic receptor from rat cortex
50048718	2	ChEMBL_32558 (CHEMBL645693)	The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver
50032640	3	ChEMBL_697251 (CHEMBL1640795)	Inhibition of human MMP1 in cell-free system by fluorescent spectroscopy
50032640	4	ChEMBL_697252 (CHEMBL1640796)	Inhibition of human MMP3 in cell-free system by fluorescent spectroscopy
50048718	3	ChEMBL_34140 (CHEMBL644779)	The compound was evaluated for the inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat liver
50032641	1	ChEMBL_695075 (CHEMBL1640692)	Inhibition of Flag tagged human recombinant HDAC3 expressed in Sf21 cells coexpressing SMRT DAD domain
50032641	2	ChEMBL_695073 (CHEMBL1640690)	Inhibition of human recombinant HDAC1 expressed in HEK293 cells
50032641	3	ChEMBL_695074 (CHEMBL1640691)	Inhibition of human recombinant HDAC6 expressed in HEK293 cells
50032641	4	ChEMBL_695076 (CHEMBL1640693)	Inhibition of Flag tagged human recombinant HDAC8 expressed in Sf21 cells
50032641	5	ChEMBL_695084 (CHEMBL1640701)	Inhibition of PLK1 by flash plate based radioactive enzyme assay
50032641	6	ChEMBL_695077 (CHEMBL1640694)	Inhibition of EGFR by flash plate based radioactive enzyme assay
50032641	7	ChEMBL_695078 (CHEMBL1640695)	Inhibition of HER2 by flash plate based radioactive enzyme assay
50032641	8	ChEMBL_695079 (CHEMBL1640696)	Inhibition of PDGFRbeta by flash plate based radioactive enzyme assay
50048718	4	ChEMBL_34070 (CHEMBL643927)	The compound was evaluated for the inhibition of [3H]rauwolscine binding to alpha-2-adrenergic receptor from rat cortex
50032641	10	ChEMBL_695081 (CHEMBL1640698)	Inhibition of ABL1 by flash plate based radioactive enzyme assay
50032641	11	ChEMBL_695082 (CHEMBL1640699)	Inhibition of CDK2 by flash plate based radioactive enzyme assay
50032642	1	ChEMBL_695103 (CHEMBL1640851)	Inhibition of recombinant GSK3-beta Z'-LYTE kinase assay kit method
50032643	1	ChEMBL_695124 (CHEMBL1640872)	Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay
50032643	2	ChEMBL_695122 (CHEMBL1640870)	Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay
50032643	3	ChEMBL_695121 (CHEMBL1640869)	Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay
50032644	1	ChEMBL_695894 (CHEMBL1640946)	Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system
50032644	2	ChEMBL_695893 (CHEMBL1640945)	Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method
50032645	1	ChEMBL_695928 (CHEMBL1641115)	Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA
50032645	2	ChEMBL_695929 (CHEMBL1641116)	Inhibition of GST-tagged human JAK1 catalytic domain expressed in Sf9 cells by ELISA
50032645	3	ChEMBL_695930 (CHEMBL1641117)	Inhibition of GST-tagged human JAK2 catalytic domain expressed in Sf9 cells by ELISA
50032645	4	ChEMBL_695934 (CHEMBL1641121)	Inhibition of JAK3 by solution phase kinase assay
50032645	5	ChEMBL_695936 (CHEMBL1641123)	Inhibition of JAK1 by solution phase kinase assay
50032645	6	ChEMBL_697884 (CHEMBL1632944)	Inhibition of Tyk2 by solution phase kinase assay
50032645	7	ChEMBL_695960 (CHEMBL1641296)	Inhibition of CYP1A2 in human liver microsomes
50032645	8	ChEMBL_695961 (CHEMBL1641297)	Inhibition of CYP2C19 in human liver microsomes
50032645	9	ChEMBL_695962 (CHEMBL1641298)	Inhibition of CYP2D6 in human liver microsomes
50032645	10	ChEMBL_695963 (CHEMBL1641299)	Inhibition of CYP3A4 in human liver microsomes
50032645	11	ChEMBL_695935 (CHEMBL1641122)	Inhibition of JAK2 by solution phase kinase assay
50032646	1	ChEMBL_697887 (CHEMBL1632947)	Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay
50032646	2	ChEMBL_697888 (CHEMBL1632948)	Negative allosteric modulator activity at human mGluR2 expressed in HEK cells in presence of glutamate EC80 concentration by Ca2+ functional assay
50032646	3	ChEMBL_697891 (CHEMBL1632951)	Positive allosteric modulator activity at human mGluR3 expressed in HEK cells in presence of glutamate EC10 concentration by Ca2+ functional assay
50032647	1	ChEMBL_697899 (CHEMBL1632959)	Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometry
50032647	2	ChEMBL_697897 (CHEMBL1632957)	Inhibition of human intestinal CE1 using O-nitrophenyl acetate as substrate by spectrophotometry
50032647	3	ChEMBL_697898 (CHEMBL1632958)	Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometry
50032648	1	ChEMBL_697950 (CHEMBL1633010)	Inhibition of CYP2C9
50032648	2	ChEMBL_697949 (CHEMBL1633009)	Inhibition of CYP2D6
50032648	3	ChEMBL_697948 (CHEMBL1633008)	Induction of PXR
50032648	4	ChEMBL_697955 (CHEMBL1633015)	Inhibition of human Nav1.8 by VIPR assay
50035616	8	ChEMBL_148714 (CHEMBL755977)	Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND
50032648	6	ChEMBL_697952 (CHEMBL1633012)	Inhibition of Nav1.5 by VIPR assay
50032648	7	ChEMBL_697951 (CHEMBL1633011)	Inhibition of CYP3A4
50032649	1	ChEMBL_697968 (CHEMBL1633028)	Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs
50032650	1	ChEMBL_697994 (CHEMBL1633054)	Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells
50032650	2	ChEMBL_697993 (CHEMBL1633053)	Activity at oxytocin receptor expressed in COS1 cells assessed as IP-one generation by HTRF assay
50032651	1	ChEMBL_697996 (CHEMBL1633056)	Inhibition of human PI3Kalpha expressed in Sf9 cells by fluorescent polarization assay
50032651	2	ChEMBL_697997 (CHEMBL1633057)	Inhibition of human PI3Kgamma expressed in Sf9 cells by fluorescent polarization assay
50035616	14	ChEMBL_148710 (CHEMBL750209)	Evaluated for Opioid receptor mu 1 affinity against the receptor site model site 1(mu1)
50035616	23	ChEMBL_145704 (CHEMBL753912)	Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND
50035616	22	ChEMBL_146300 (CHEMBL758848)	Opioid receptor affinity against the receptor site model site 5 by using the curve-fitting program LIGAND
50032652	2	ChEMBL_696332 (CHEMBL1639903)	Inhibition of human COX2
50035616	24	ChEMBL_148713 (CHEMBL857613)	Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND
50032653	1	ChEMBL_696366 (CHEMBL1640079)	Inhibition of rat aldehyde oxidase
50032653	2	ChEMBL_696368 (CHEMBL1640081)	Inhibition of rabbit aldehyde oxidase
50032653	3	ChEMBL_696369 (CHEMBL1640082)	Inhibition of monkey aldehyde oxidase
50032653	4	ChEMBL_696364 (CHEMBL1640077)	Inhibition of human aldehyde oxidase
50032653	5	ChEMBL_696365 (CHEMBL1640078)	Inhibition of mouse aldehyde oxidase
50032655	1	ChEMBL_696628 (CHEMBL1641179)	Inhibition of soybean lipoxygenase at by UV spectrophotometry
50032656	1	ChEMBL_696637 (CHEMBL1641188)	Inhibition of Trypanosoma cruzi triosephosphate isomerase after 2 hrs
50032657	1	ChEMBL_696869 (CHEMBL1639226)	Inhibition of bovine erythrocyte AChE by Ellman's method
50032657	2	ChEMBL_696870 (CHEMBL1639227)	Inhibition of equine serum BuChE by Ellman's method
50032658	1	ChEMBL_696883 (CHEMBL1639399)	Inhibition of human placental aromatase
50032659	1	ChEMBL_696893 (CHEMBL1639409)	Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membranes by gamma counting
50032659	2	ChEMBL_696892 (CHEMBL1639408)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta counting
50048719	1	ChEMBL_30984 (CHEMBL645176)	Inhibitory activity against horse liver alcohol dehydrogenase (ADH)
50032660	2	ChEMBL_696914 (CHEMBL1639430)	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay
50032660	4	ChEMBL_696902 (CHEMBL1639418)	Inhibition of rat TRPV1 expressed in HEK cells
50032661	1	ChEMBL_694005 (CHEMBL1636581)	Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells
50032661	2	ChEMBL_694006 (CHEMBL1636582)	Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells
50032662	1	ChEMBL_694274 (CHEMBL1637636)	Inhibition of human alphaVbeta3 receptor expressed in african green monkey Vero E6 cells assessed as inhibition of SNV infection in cells by immunofluorescent assay
50048720	1	ChEMBL_2369 (CHEMBL617442)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortex
50048721	1	ChEMBL_217353 (CHEMBL822708)	Cardiotonic effect by inhibition of cAMP phosphodiesterase (PDE III)
50048722	1	ChEMBL_146279 (CHEMBL756524)	Binding affinity towards opioid receptor
50032664	1	ChEMBL_694285 (CHEMBL1637647)	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry
50032665	1	ChEMBL_694505 (CHEMBL1635795)	Inhibition of sheep COX1-mediated PGE2 production after 2 mins by liquid scintillation counting
50032665	2	ChEMBL_694506 (CHEMBL1635796)	Inhibition of sheep COX2-mediated PGE2 production after 2 mins by liquid scintillation counting
50032666	1	ChEMBL_694519 (CHEMBL1635809)	Inhibition of recombinant PTP1B expressed in Escherichia coli BL21 after 30 mins by spectrophotometry
50032667	1	ChEMBL_694544 (CHEMBL1635953)	Inhibition of MMP1 by fluorimetric assay
50032667	2	ChEMBL_694545 (CHEMBL1635954)	Inhibition of MMP7 by fluorimetric assay
50032667	3	ChEMBL_694546 (CHEMBL1635955)	Inhibition of MMP8 by fluorimetric assay
50032667	4	ChEMBL_694547 (CHEMBL1635956)	Inhibition of MMP12 by fluorimetric assay
50032667	5	ChEMBL_694548 (CHEMBL1635957)	Inhibition of MMP13 by fluorimetric assay
50032668	1	ChEMBL_696154 (CHEMBL1639153)	Inhibition of human recombinant COX2 after 45 mins
50032669	2	ChEMBL_696205 (CHEMBL1639358)	Inhibition of human leukocyte elastase
50032669	3	ChEMBL_696212 (CHEMBL1639365)	Inhibition of MMP2
50032669	4	ChEMBL_696202 (CHEMBL1639355)	Inhibition of human Chymase
50032670	1	ChEMBL_696215 (CHEMBL1639368)	Partial displacement of [3H]LY354740 from recombinant rat mGluR2
50032670	2	ChEMBL_696216 (CHEMBL1639369)	Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP production
50032670	3	ChEMBL_696230 (CHEMBL1639383)	Antagonist activity at rat mGluR3 receptor expressed in CHO cells assessed as inhibition of GIRK current
50032670	4	ChEMBL_696926 (CHEMBL1639554)	Antagonist activity at human mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current
50032670	5	ChEMBL_696229 (CHEMBL1639382)	Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current
50032670	6	ChEMBL_696217 (CHEMBL1639370)	Inhibition of CYP3A4
50032670	7	ChEMBL_696213 (CHEMBL1639366)	Displacement of [3H]LY354740 from recombinant rat mGluR2 expressed in CHO cells
50032671	1	ChEMBL_689743 (CHEMBL1635471)	Inhibition of CYP3A4 in human liver microsomes using midazolam as probe
50032671	2	ChEMBL_689742 (CHEMBL1635470)	Inhibition of human recombinant CYP3A4
50032671	3	ChEMBL_689741 (CHEMBL1635469)	Inhibition of human recombinant CYP2D6
50032671	4	ChEMBL_689740 (CHEMBL1635468)	Inhibition of human recombinant CYP219
50032671	5	ChEMBL_689739 (CHEMBL1635467)	Inhibition of human recombinant CYP2C9
50032671	6	ChEMBL_689738 (CHEMBL1635466)	Inhibition of human recombinant CYP1A2
50032671	7	ChEMBL_689765 (CHEMBL1635605)	Inhibition of CYP3A4 in human liver microsomes using atorvastatin as probe
50032671	8	ChEMBL_689766 (CHEMBL1635606)	Inhibition of CYP3A4 in human liver microsomes using nifedipine as probe
50032672	1	ChEMBL_689887 (CHEMBL1633336)	Inhibition of mTORC1 expressed in HEK293 cells assessed as PRAS40 Ser183 phosphorylation level by LanthaScreen cellular assay
50035620	5	ChEMBL_105118 (CHEMBL713236)	Inhibition constant was evaluated with kidney Methionine adenosyltransferase II form of rat methionine adenosyltransferase, when ATP was the variable substrate (60 uM)
50035620	4	ChEMBL_104958 (CHEMBL715640)	Inhibition constant was evaluated on novikoff hepatoma (MAT-T) form of rat methionine adenosyltransferase, when ATP was the variable substrate (60 uM)
50035620	3	ChEMBL_104960 (CHEMBL715642)	Inhibition constant was evaluated with kidney (MAT-2) form of rat methionine adenosyltransferase, when methionine was the variable substrate (2 mM)
50032672	3	ChEMBL_689885 (CHEMBL1633334)	Inhibition of PDK1 by Z'-LYTE kinase activity assay
50032672	4	ChEMBL_689884 (CHEMBL1633333)	Inhibition of mTOR by LanthaScreen Eu kinase binding assay
50032672	5	ChEMBL_689883 (CHEMBL1633332)	Inhibition of PI3Kalpha by LanthaScreen Eu kinase binding assay
50032672	6	ChEMBL_689893 (CHEMBL1633342)	Inhibition of PI3Kdelta
50032672	7	ChEMBL_689892 (CHEMBL1633341)	Inhibition of PI3Kgamma
50032673	1	ChEMBL_690153 (CHEMBL1634173)	Inhibition of Wistar rat kidney ALR1 by spectrophotometry
50032674	1	ChEMBL_690164 (CHEMBL1634184)	Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus expression system by fluorimetric assay
50032675	1	ChEMBL_690176 (CHEMBL1634306)	Inhibition of human HDAC7 by fluorimetric assay
50032675	2	ChEMBL_690170 (CHEMBL1634190)	Inhibition of human HDAC1 by fluorimetric assay
50032675	3	ChEMBL_690171 (CHEMBL1634301)	Inhibition of human HDAC2 by fluorimetric assay
50032675	5	ChEMBL_690172 (CHEMBL1634302)	Inhibition of human HDAC3 by fluorimetric assay
50032675	6	ChEMBL_690173 (CHEMBL1634303)	Inhibition of human HDAC8 by fluorimetric assay
50032675	7	ChEMBL_690174 (CHEMBL1634304)	Inhibition of human HDAC4 by fluorimetric assay
50035621	3	ChEMBL_206286 (CHEMBL808823)	Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against porcine sucrase
50035621	4	ChEMBL_101862 (CHEMBL710105)	Inhibitory activity against porcine maltase
50002951	5	ChEMBL_53612 (CHEMBL661842)	Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver
50002951	6	ChEMBL_54594 (CHEMBL667317)	Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells
50032675	8	ChEMBL_690177 (CHEMBL1634307)	Inhibition of human HDAC9 by fluorimetric assay
50032675	9	ChEMBL_690178 (CHEMBL1634308)	Inhibition of human HDAC6 by fluorimetric assay
50032675	10	ChEMBL_690179 (CHEMBL1634309)	Inhibition of human HDAC10 by fluorimetric assay
50032675	11	ChEMBL_690180 (CHEMBL1634310)	Inhibition of human HDAC11 by fluorimetric assay
50032676	1	ChEMBL_690183 (CHEMBL1634313)	Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phosphorylation after 30 mins post dose by Alphascreen Surefire assay
50032676	2	ChEMBL_690185 (CHEMBL1634315)	Antagonist activity at NOR in mouse Neuro-2a cells assessed as inhibition of nociceptin-induced ERK phosphorylation administered for 15 mins before nociceptin challenge by Alphascreen Surefire assay
50035622	7	ChEMBL_54888 (CHEMBL666942)	Compound was evaluated for inhibitory effect on the dihydrofolate reductase (DHFR) of Lactobacillus casei
50032676	3	ChEMBL_690189 (CHEMBL1634319)	Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phosphorylation after 30 mins post dose in presence of compound 14 by Alphascreen Surefire assay
50035622	4	ChEMBL_209101 (CHEMBL811703)	Compound was evaluated for inhibitory effect on the thymidylate synthase (TS) of Lactobacillus casei
50032677	1	ChEMBL_690224 (CHEMBL1634493)	Displacement of [3H]AMPA from GluA2-S1S2 receptor
50032677	2	ChEMBL_690213 (CHEMBL1634343)	Displacement of [3H[AMPA from rat recombinant GluA1o expressed in sS9 cells
50032677	3	ChEMBL_690214 (CHEMBL1634344)	Displacement of [3H[AMPA from rat recombinant GluA2(R)o expressed in sS9 cells
50032677	4	ChEMBL_690215 (CHEMBL1634345)	Displacement of [3H[AMPA from rat recombinant GluA3o expressed in sS9 cells
50032677	5	ChEMBL_690216 (CHEMBL1634346)	Displacement of [3H[AMPA from rat recombinant GluA4o expressed in sS9 cells
50032677	6	ChEMBL_690217 (CHEMBL1634347)	Displacement of [3H[SYM2081 from rat recombinant GluK1(Q)1b expressed in sS9 cells
50032677	7	ChEMBL_690218 (CHEMBL1634348)	Displacement of [3H[SYM2081 from rat recombinant GluK2(VCR)a expressed in sS9 cells
50032677	8	ChEMBL_690219 (CHEMBL1634349)	Displacement of [3H[SYM2081 from rat recombinant GluK3a expressed in sS9 cells
50035622	3	ChEMBL_210164 (CHEMBL813846)	Compound was evaluated for inhibitory effect on the thymidylate synthase (TS) of Lactobacillus casei
50035622	5	ChEMBL_54890 (CHEMBL884440)	Compound was evaluated for inhibitory effect on the dihydrofolate reductase (DHFR) of Lactobacillus casei.
50035622	2	ChEMBL_210165 (CHEMBL813847)	Compound was evaluated for inhibitory effect on the thymidylate synthase (TS) of Lactobacillus casei
50035622	6	ChEMBL_54889 (CHEMBL666943)	Compound was evaluated for inhibitory effect on the dihydrofolate reductase (DHFR) of Lactobacillus casei
50048723	1	ChEMBL_146294 (CHEMBL758842)	In vivo binding affinity to opioid receptor preparations from rat brain
50032677	9	ChEMBL_690220 (CHEMBL1634350)	Agonist activity at rat recombinant GluA1i expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50032677	10	ChEMBL_690221 (CHEMBL1634490)	Agonist activity at rat recombinant GluA2(Q)i expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50032677	11	ChEMBL_690222 (CHEMBL1634491)	Agonist activity at rat recombinant GluA3i expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50032677	12	ChEMBL_690223 (CHEMBL1634492)	Agonist activity at rat recombinant GluA4i expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50032678	1	ChEMBL_692926 (CHEMBL1637566)	Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5 hrs by SDS-PAGE
50032679	1	ChEMBL_691098 (CHEMBL1635195)	Binding affinity to mouse recombinant PrP (121-231) after 10 mins by surface plasmon resonance assay
50032680	1	ChEMBL_693526 (CHEMBL1637421)	Inhibition of Haemophilus influenzae MetRS
50032681	1	ChEMBL_690425 (CHEMBL1635162)	Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins
50032681	2	ChEMBL_690426 (CHEMBL1635163)	Inhibition of CYP2C9 in human liver microsomes assessed as Tolbutamide 4'-hydroxylation after 60 mins
50032681	3	ChEMBL_690427 (CHEMBL1635164)	Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins
50032681	4	ChEMBL_690429 (CHEMBL1635166)	Inhibition of CYP2C9 using Tolbutamide as probe
50032681	5	ChEMBL_690430 (CHEMBL1635167)	Inhibition of CYP2C19 using S-mephenytoin as probe
50032681	6	ChEMBL_690366 (CHEMBL1634983)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 10 mins
50032681	7	ChEMBL_690367 (CHEMBL1634984)	Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 mins
50032681	8	ChEMBL_690368 (CHEMBL1634985)	Inhibition of CYP2B6 in human liver microsomes using efavirenz as probe after 10 mins
50032681	9	ChEMBL_690369 (CHEMBL1634986)	Inhibition of CYP2B6 in human liver microsomes using bupropion as probe after 10 mins
50032681	10	ChEMBL_690370 (CHEMBL1634987)	Inhibition of CYP2B6 in human liver microsomes using 8-hydroxyefavirenz as probe after 10 mins
50032681	11	ChEMBL_690374 (CHEMBL1634991)	Inhibition of human CYP2B6 expressed in baculovirus assessed as voriconazole N-oxide formation
50032681	12	ChEMBL_690375 (CHEMBL1634992)	Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysis
50032681	13	ChEMBL_690376 (CHEMBL1634993)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysis
50032681	14	ChEMBL_690377 (CHEMBL1634994)	Inhibition of CYP2C9 in human liver microsomes assessed as Tolbutamide 4-methylhydroxylation after 60 mins by Dixon plot analysis
50032681	15	ChEMBL_690378 (CHEMBL1634995)	Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 60 mins by Dixon plot analysis
50048724	1	ChEMBL_158140 (CHEMBL760772)	In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils
50048725	1	ChEMBL_145728 (CHEMBL755015)	In vitro opioid inhibitory activity against in guinea pig ileum
50048725	2	ChEMBL_146012 (CHEMBL752105)	In vitro inhibitory activity against opioid activity in guinea pig ileum
50032683	4	ChEMBL_690939 (CHEMBL1634547)	Reversible inhibition of Candida albicans inositol phosphorylceramide synthase
50032683	5	ChEMBL_690940 (CHEMBL1634548)	Reversible inhibition of Saccharomyces cerevisiae inositol phosphorylceramide synthase
50032683	1	ChEMBL_690936 (CHEMBL1634544)	Inhibition of Candida albicans inositol phosphorylceramide synthase
50032683	6	ChEMBL_690931 (CHEMBL1634539)	Inhibition of Candida albicans ATCC 38247 inositol phosphorylceramide synthase preincubated for 30 mins
50032683	7	ChEMBL_690932 (CHEMBL1634540)	Inhibition of Saccharomyces cerevisiae SJ21R inositol phosphorylceramide synthase preincubated for 30 mins
50032684	1	ChEMBL_693079 (CHEMBL1638239)	Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production
50032684	2	ChEMBL_693081 (CHEMBL1638241)	Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production at 100 nM
50032685	1	ChEMBL_689552 (CHEMBL1634790)	Inhibition of Burkholderia cenocepacia 07-34 beta-lactamase PenB1
50032686	1	ChEMBL_693672 (CHEMBL1637940)	Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin
50032686	2	ChEMBL_693673 (CHEMBL1637941)	Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin
50032687	1	ChEMBL_696792 (CHEMBL1639005)	Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay
50032688	1	ChEMBL_696802 (CHEMBL1639015)	Binding affinity to purified elF4E
50032689	1	ChEMBL_695611 (CHEMBL1639859)	Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding assay
50032689	2	ChEMBL_695609 (CHEMBL1639857)	Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding assay
50032689	3	ChEMBL_695610 (CHEMBL1639858)	Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding assay
50032689	4	ChEMBL_695614 (CHEMBL1639862)	Inhibition of human RNA polymerase 2
50032690	1	ChEMBL_701309 (CHEMBL1648929)	Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50032690	2	ChEMBL_701310 (CHEMBL1648930)	Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50032690	3	ChEMBL_701311 (CHEMBL1648931)	Inhibition of Methanothermobacter thermautotrophicus carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
50032691	1	ChEMBL_701315 (CHEMBL1648935)	Inhibition of bovine milk xanthine oxidase by spectrophotometry
50032691	2	ChEMBL_701314 (CHEMBL1648934)	Inhibition of rat liver xanthine oxidase by spectrophotometry
50032692	1	ChEMBL_701317 (CHEMBL1648937)	Inhibition of Electrophorus electricus AChE by Ellman's method
50032692	2	ChEMBL_701318 (CHEMBL1648938)	Inhibition of bovine erythrocytes AChE by Ellman's method
50032692	3	ChEMBL_701319 (CHEMBL1648939)	Inhibition of horse serum BuChE by Ellman's method
50032693	1	ChEMBL_701329 (CHEMBL1648949)	Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay
50032693	2	ChEMBL_701328 (CHEMBL1648948)	Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay
50032693	3	ChEMBL_701327 (CHEMBL1648947)	Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay
50032693	4	ChEMBL_701331 (CHEMBL1648951)	Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration assay
50032694	1	ChEMBL_698095 (CHEMBL1646015)	Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry
50032694	2	ChEMBL_698096 (CHEMBL1646016)	Inhibition of rat kidney DDP2 after 60 mins by spectrophotometry
50032694	3	ChEMBL_698097 (CHEMBL1646017)	Inhibition of human DDP8 expressed in HEK293-F cells after 90 mins by spectrophotometry
50032694	4	ChEMBL_698098 (CHEMBL1646018)	Inhibition of human DDP9 expressed in HEK293-F cells after 90 mins by spectrophotometry
50032695	1	ChEMBL_698121 (CHEMBL1646041)	Inhibition of human recombinant DNase gamma expressed in Rosetta DE3 cells assessed as increase in acid soluble DNA after 30 mins
50032695	2	ChEMBL_698124 (CHEMBL1646044)	Inhibition of DNase gamma-mediated HMGB1 release expressed in human staurosporine-induced HeLaS3 cells treated 1 hr before staurosporine challenge measured after 24 hrs by Western blotting
50032696	1	ChEMBL_698125 (CHEMBL1646238)	Inhibition of Mycobacterium tuberculosis GIFT2 at pH7.6 by spectrophotometric assay
50032697	1	ChEMBL_698129 (CHEMBL1646242)	Inhibition of human recombinant furin by fluorescence plate reader analysis
50032697	2	ChEMBL_698130 (CHEMBL1646243)	Inhibition of thrombin
50032697	3	ChEMBL_698131 (CHEMBL1646244)	Inhibition of factor 10a
50032697	4	ChEMBL_698133 (CHEMBL1646246)	Inhibition of plasmin
50032698	1	ChEMBL_698255 (CHEMBL1646725)	Inhibition of human p110alpha PI3K fragment by AlphaScreen assay
50032698	2	ChEMBL_698256 (CHEMBL1646726)	Inhibition of human PI3K p110beta catalytic subunit by AlphaScreen competition assay
50032698	3	ChEMBL_698257 (CHEMBL1646727)	Inhibition of human PI3K p110gamma catalytic subunit by AlphaScreen assay
50032698	4	ChEMBL_698259 (CHEMBL1646729)	Inhibition of human PI3K p110delta catalytic subunit by AlphaScreen assay
50032699	1	ChEMBL_698261 (CHEMBL1646731)	Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs
50032699	2	ChEMBL_698262 (CHEMBL1646732)	Binding affinity to HIV1 YU2 gp120 by isothermal titration calorimetry assay
50032700	2	ChEMBL_698434 (CHEMBL1647366)	Binding affinity to mouse mGluR1
50035626	5	ChEMBL_154904 (CHEMBL878421)	In vitro inhibitory activity against rat plasma renin
50032701	1	ChEMBL_698627 (CHEMBL1647900)	Inhibition of LCK
50032701	2	ChEMBL_698628 (CHEMBL1647901)	Inhibition of KDR
50032701	3	ChEMBL_698459 (CHEMBL1647391)	Inhibition of EGFR
50032701	4	ChEMBL_698460 (CHEMBL1647392)	Inhibition of HER2
50035626	20	ChEMBL_157423 (CHEMBL768879)	In vitro inhibitory activity against monkey (Callithrix jacchus) plasma renin
50035626	2	ChEMBL_154892 (CHEMBL763034)	In vitro inhibitory activity against hog plasma renin
50035626	7	ChEMBL_154897 (CHEMBL764016)	In vitro inhibitory activity against man plasma renin
50035626	23	ChEMBL_222765 (CHEMBL847097)	In vitro inhibitory activity against hog plasma renin
50048726	1	ChEMBL_217146 (CHEMBL822822)	Compound was tested for its ability to inhibit specific binding of [3H]clonidine to alpha-2-adrenoceptor in rat brain
50048726	2	ChEMBL_217147 (CHEMBL822823)	Compound was tested for its ability to inhibit specific binding of [3H]-clonidine to alpha-2-adrenoceptor.
50048726	3	ChEMBL_34046 (CHEMBL644677)	Compound was tested for its ability to inhibit specific binding of [3H]clonidine to alpha-2 adrenergic receptor in rat brain
50032703	1	ChEMBL_698696 (CHEMBL1648260)	Inhibition of human recombinant MAO-A expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescent assay
50032703	2	ChEMBL_698697 (CHEMBL1648261)	Inhibition of human recombinant MAO-B expressed in baculovirus-infected Bacillus thuringiensis israelensis cells after 1 hr by two-step bioluminescent assay
50032704	1	ChEMBL_698907 (CHEMBL1645847)	Displacement of [3H]citalopram from human SERT by scintillation proximity assay
50032704	2	ChEMBL_698905 (CHEMBL1645845)	Displacement of [3H]nisoxetine from human NET by scintillation proximity assay
50032704	3	ChEMBL_698906 (CHEMBL1645846)	Displacement of [3H]WIN-35,428 from human DAT by scintillation proximity assay
50032704	4	ChEMBL_698908 (CHEMBL1645848)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry
50032704	5	ChEMBL_698918 (CHEMBL1645858)	Agonist activity at 5HT1A receptor by GTPgammaS binding assay
50032704	6	ChEMBL_698920 (CHEMBL1645860)	Agonist activity at human cloned NET expressed in HEK293 cells by FLIPR assay
50032705	1	ChEMBL_698921 (CHEMBL1645861)	Inhibition of Wistar rat small intestine maltase after 30 mins
50032705	2	ChEMBL_698923 (CHEMBL1645863)	Inhibition of Wistar rat small intestine isomaltase after 30 mins
50032705	3	ChEMBL_698925 (CHEMBL1645865)	Inhibition of Wistar rat small intestine sucrase after 30 mins
50032706	1	ChEMBL_698951 (CHEMBL1646055)	Inhibition of S6K1 in ribosomal protein S6 by whole cell assay
50032706	2	ChEMBL_698950 (CHEMBL1646054)	Inhibition of S6K1
50032707	2	ChEMBL_699227 (CHEMBL1646949)	Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay
50032707	3	ChEMBL_699228 (CHEMBL1646950)	Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay
50032707	4	ChEMBL_699229 (CHEMBL1646951)	Inhibition of CYP2C9
50032707	5	ChEMBL_699230 (CHEMBL1646952)	Inhibition of CYP3A4
50035631	4	ChEMBL_209956 (CHEMBL820612)	Inhibitory activity against thymidylate synthase in the intact L1210 cells
50035632	3	ChEMBL_31101 (CHEMBL640457)	Compound was tested for the inhibitory constant for adenosine deaminase (ADA)
50035632	4	ChEMBL_52531 (CHEMBL665303)	Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase
50048727	1	ChEMBL_34512 (CHEMBL649640)	Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes
50048727	2	ChEMBL_34511 (CHEMBL649639)	In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes
50048727	3	ChEMBL_60163 (CHEMBL675710)	In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.
50048727	4	ChEMBL_32541 (CHEMBL646575)	In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes
50048727	5	ChEMBL_34513 (CHEMBL649641)	In vitro binding affinity was measured as the inhibition of [3H]idazoxan to alpha-2 adrenergic receptors of rat cortical membranes
50032708	1	ChEMBL_699500 (CHEMBL1647755)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation counting
50032709	1	ChEMBL_699508 (CHEMBL1647763)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50032709	2	ChEMBL_699509 (CHEMBL1647764)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in cells
50032709	3	ChEMBL_699510 (CHEMBL1647765)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in cells
50032709	4	ChEMBL_699511 (CHEMBL1647766)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells
50032709	5	ChEMBL_699512 (CHEMBL1647767)	Displacement of [3H]LSD from human 5HT7 receptor expressed in cells
50032709	6	ChEMBL_699513 (CHEMBL1647768)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in cells
50032709	7	ChEMBL_699514 (CHEMBL1647769)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in cells
50032709	8	ChEMBL_699673 (CHEMBL1648316)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in cells
50032709	9	ChEMBL_699674 (CHEMBL1648317)	Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-stimulated cAMP accumulation
50032710	1	ChEMBL_699676 (CHEMBL1648319)	Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay
50032711	1	ChEMBL_699709 (CHEMBL1648352)	Displacement of radiolabeled MK-499 from human ERG expressed in HEK293 cells
50032712	1	ChEMBL_699748 (CHEMBL1648561)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cells by competition binding assay
50032712	2	ChEMBL_699749 (CHEMBL1648562)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced intracellular calcium release by FLIPR assay
50032712	3	ChEMBL_699750 (CHEMBL1648563)	Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanesulfonamide from human ERG expressed in HEK293 cells
50032713	1	ChEMBL_699945 (CHEMBL1646352)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50032714	1	ChEMBL_699960 (CHEMBL1646367)	Inhibition of recombinant SHP2
50032714	2	ChEMBL_699961 (CHEMBL1646368)	Inhibition of recombinant SHP1
50032714	3	ChEMBL_699962 (CHEMBL1646369)	Inhibition of recombinant PTP1B
50032714	4	ChEMBL_699963 (CHEMBL1646370)	Inhibition of recombinant HePTP
50032714	5	ChEMBL_699964 (CHEMBL1646371)	Binding affinity to recombinant SHP2 by surface plasmon response
50032715	1	ChEMBL_700165 (CHEMBL1647158)	Binding affinity to human SSTR4
50032715	2	ChEMBL_700167 (CHEMBL1647160)	Binding affinity to human SSTR5
50032716	1	ChEMBL_700193 (CHEMBL1647186)	Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay
50032716	2	ChEMBL_700194 (CHEMBL1647187)	Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 15 mins by fluorimetric assay
50032717	1	ChEMBL_700207 (CHEMBL1647308)	Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells
50032718	1	ChEMBL_700222 (CHEMBL1647323)	Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells
50032718	2	ChEMBL_700223 (CHEMBL1647324)	Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting
50032720	1	ChEMBL_700426 (CHEMBL1647965)	Inhibition of [3H]methylthymidine binding to human recombinant thymidine phosphorylase expressed in chinese hamster V79 cells after 20 mins by scintillation counting
50032720	2	ChEMBL_700427 (CHEMBL1647966)	Inhibition of [3H]methylthymidine binding to human placenta thymidine phosphorylase after 20 mins by scintillation counting
50032721	1	ChEMBL_700443 (CHEMBL1647982)	Activity at PXR by induction assay
50032721	2	ChEMBL_700439 (CHEMBL1647978)	Blockade of Cav2.2 channel by fluorescent calcium-influx assay
50032721	3	ChEMBL_700452 (CHEMBL1647991)	Inhibition of CYP3A4
50032721	4	ChEMBL_700453 (CHEMBL1647992)	Inhibition of CYP2D6
50032721	5	ChEMBL_700454 (CHEMBL1647993)	Inhibition of CYP2C9
50032722	1	ChEMBL_700658 (CHEMBL1645697)	Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay
50032722	2	ChEMBL_700659 (CHEMBL1645698)	Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50032722	3	ChEMBL_700655 (CHEMBL1645694)	Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay
50032722	4	ChEMBL_700656 (CHEMBL1645695)	Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay
50032722	5	ChEMBL_700657 (CHEMBL1645696)	Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay
50002967	8	ChEMBL_194694 (CHEMBL802688)	Compound was tested in vitro for inhibition of MAO by using [14C]phenylethylamine as substrate in rat brain mitochondrial preparation
50002967	6	ChEMBL_124577 (CHEMBL734573)	Compound was tested in vitro for inhibition of Monoamino oxidase by using [14C]phenylethylamine as substrate in rat brain mitochondrial preparation
50002967	9	ChEMBL_194695 (CHEMBL802689)	Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation
50002967	7	ChEMBL_124578 (CHEMBL734658)	Compound was tested in vitro for inhibition of Monoamino oxidase by using [14C]5-HT as substrate in rat brain mitochondrial preparation
50002424	2	ChEMBL_158132 (CHEMBL760764)	In vitro inhibition of rat polymorphonuclear leukocyte (PMN) Prostaglandin G/H synthase
50048728	1	ChEMBL_158422 (CHEMBL763063)	Inhibition of Prostaglandin G/H synthase of ram seminal vesicle microsomes
50048729	1	ChEMBL_52210 (CHEMBL876700)	Compound is evaluated for its ability to inhibit [3H]LTD4 binding to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50032723	4	ChEMBL_700675 (CHEMBL1645714)	Binding affinity to EP1 receptor
50032723	5	ChEMBL_700676 (CHEMBL1645715)	Binding affinity to EP2 receptor
50032723	7	ChEMBL_700680 (CHEMBL1645719)	Binding affinity to FP receptor
50032723	8	ChEMBL_700681 (CHEMBL1645720)	Binding affinity to IP receptor
50032723	9	ChEMBL_700682 (CHEMBL1645721)	Binding affinity to TP receptor
50032723	11	ChEMBL_700677 (CHEMBL1645716)	Binding affinity to EP3 receptor
50048730	1	ChEMBL_158072 (CHEMBL764901)	Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase
50035633	3	ChEMBL_1919 (CHEMBL616973)	Evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor using radioligand [3H]-spiperone
50035633	2	ChEMBL_771 (CHEMBL833492)	Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT
50035633	4	ChEMBL_3518 (CHEMBL619188)	Binding affinity at serotonin 5-HT1-type site receptor in rat cortex by displacing [3H]5-HT
50048731	1	ChEMBL_47317 (CHEMBL661388)	Compound was evaluated for the inhibition of Carbonic anhydrase
50048731	2	ChEMBL_47319 (CHEMBL662690)	Compound was evaluated for the inhibition of Carbonic anhydrase (Non competitive)
50048731	3	ChEMBL_47318 (CHEMBL873198)	Compound was evaluated for the inhibition of Carbonic anhydrase (Competitive)
50032725	2	ChEMBL_700705 (CHEMBL1645744)	Inhibition of [3H]E2 binding to human placental 17beta-HSD2 after 20 mins
50002325	3	ChEMBL_29149 (CHEMBL639429)	Binding affinity against A1 adenosine receptors of the central nervous system
50032726	1	ChEMBL_700711 (CHEMBL1645750)	Inhibition of equine BChE by Ellman's method
50032726	2	ChEMBL_700710 (CHEMBL1645749)	Inhibition of electric eel AChE by Ellman's method
50032727	1	ChEMBL_700721 (CHEMBL1645936)	Agonist activity at human PPARalpha expressed in HepG2 cells co-transfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 hrs by luciferase based transactivation assay
50032727	2	ChEMBL_700724 (CHEMBL1645939)	Agonist activity at human PPARgamma expressed in HepG2 cells co-transfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 hrs by luciferase based transactivation assay
50032727	3	ChEMBL_700929 (CHEMBL1648428)	Agonist activity at human PPARdelta expressed in HepG2 cells co-transfected with PPRE3-TK-luc assessed as beta-galactosidase activity after 20 to 22 hrs by luciferase based transactivation assay
50032729	1	ChEMBL_700973 (CHEMBL1648028)	Inhibition of human group 2A sPLA2 by fluorescence assay
50032729	2	ChEMBL_700975 (CHEMBL1648030)	Inhibition of human group 5 sPLA2 by fluorescence assay
50032729	3	ChEMBL_700977 (CHEMBL1648032)	Inhibition of human group 10 sPLA2 by fluorescence assay
50032729	4	ChEMBL_700979 (CHEMBL1648639)	Inhibition of mouse group 2A sPLA2 by fluorescence assay
50032729	5	ChEMBL_700980 (CHEMBL1648640)	Inhibition of mouse group 5 sPLA2 by fluorescence assay
50032730	1	ChEMBL_700982 (CHEMBL1648642)	Inhibition of human recombinant PI3K p110alpha after 1 hr by radiometric scintillation proximity assay
50032730	2	ChEMBL_700984 (CHEMBL1648644)	Inhibition of human recombinant PI3K p110beta after 1 hr by radiometric scintillation proximity assay
50032730	3	ChEMBL_700985 (CHEMBL1648645)	Inhibition of human recombinant PI3K p110gamma after 1 hr by radiometric scintillation proximity assay
50002007	49	ChEMBL_60172 (CHEMBL675872)	Binding affinity for dopamine receptor in rat striatal membrane using [3H]haloperidol as radioligand
50002007	38	ChEMBL_33907 (CHEMBL645516)	Binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- clonidine
50002007	48	ChEMBL_60173 (CHEMBL675873)	Binding affinity against dopamine receptor using [3H]- haloperidol in rat brain
50002007	37	ChEMBL_33909 (CHEMBL645518)	Binding affinity against the alpha-2 adrenergic receptor using [3H]- clonidine
50002007	39	ChEMBL_33153 (CHEMBL642781)	Binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]- WB-4101
50002007	50	ChEMBL_138661 (CHEMBL748804)	Binding affinity against Muscarinic acetylcholine receptor in rat striatal membrane using [3H]haloperidol
50002007	55	ChEMBL_202313 (CHEMBL807669)	Binding affinity against serotonin-1 receptor in rat brain using [3H]5-HT
50002007	60	ChEMBL_1905 (CHEMBL616501)	Binding affinity against serotonin-2 receptor in rat brain using [3H]spiroperidol
50002007	40	ChEMBL_202311 (CHEMBL810772)	Binding affinity against serotonin-1 receptor in rat brain using [3H]5-HT
50002007	57	ChEMBL_1886 (CHEMBL884713)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat brain using [3H]spiroperidol
50002007	53	ChEMBL_59872 (CHEMBL672998)	Binding affinity against dopamine receptor in rat striatal membrane using [3H]haloperidol
50002007	47	ChEMBL_138660 (CHEMBL748803)	Binding affinity against Muscarinic acetylcholine receptor in rat brain using [3H]- QNB
50002007	45	ChEMBL_138762 (CHEMBL747848)	Binding affinity against the Muscarinic acetylcholine receptor using [3H]- QNB
50002007	42	ChEMBL_33155 (CHEMBL642940)	Binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]- WB-4101
50002007	58	ChEMBL_33927 (CHEMBL647560)	Binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- clonidine
50002007	56	ChEMBL_1888 (CHEMBL616484)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]- spiroperidol
50002007	44	ChEMBL_138663 (CHEMBL748806)	Binding affinity against muscarinic receptor in rat brain using [3H]- QNB
50002007	51	ChEMBL_60171 (CHEMBL675871)	Binding affinity against dopamine receptor in rat striatal membrane using [3H]haloperidol
50032731	4	ChEMBL_699807 (CHEMBL1645653)	Inhibition of CYP2D6
50002007	43	ChEMBL_31572 (CHEMBL644535)	The compound was tested for adenylate cyclase activity in rat corpus striatum
50002007	54	ChEMBL_202312 (CHEMBL810773)	Binding affinity against the serotonin-1 receptor using [3H]- 5-HT
50002007	46	ChEMBL_60174 (CHEMBL675874)	Binding affinity against dopamine receptor in rat striatal membrane using [3H]haloperidol
50002007	59	ChEMBL_138775 (CHEMBL747403)	Binding affinity against Muscarinic acetylcholine receptor in rat brain using [3H]- QNB
50032731	5	ChEMBL_699802 (CHEMBL1645648)	Binding affinity to prostanoid DP1 receptor
50002007	41	ChEMBL_33154 (CHEMBL642782)	Binding affinity against lpha-1 adrenergic receptor using [3H]- WB-4101
50032731	6	ChEMBL_699803 (CHEMBL1645649)	Binding affinity to thromboxane receptor
50002007	52	ChEMBL_2164 (CHEMBL617153)	Binding affinity against serotonin-2 receptor in rat brain using [3H]spiroperidol
50002426	6	ChEMBL_158266 (CHEMBL762446)	Inhibition of cyclooxygenase from RBL-1 cells.
50002987	15	ChEMBL_2137 (CHEMBL873482)	Evaluated for binding activity against [3H]ketanserin as radioligand for 5-hydroxytryptamine 2 receptor
50002987	13	ChEMBL_34593 (CHEMBL645552)	Compound was evaluated for binding activity against [3H]-WB- 4101 as radioligand for alpha-1 adrenergic receptor
50002987	11	ChEMBL_2367 (CHEMBL617441)	Evaluated for binding activity against [3H]ketanserin as radioligand for 5-hydroxytryptamine 2 receptor
50002987	10	ChEMBL_33773 (CHEMBL647347)	Compound was evaluated for binding activity against [3H]clonidine as radioligand for alpha-2 adrenergic receptor
50002987	12	ChEMBL_145709 (CHEMBL858333)	Compound was evaluated for binding activity against [3H]sufentanil opiate receptor
50002987	19	ChEMBL_138351 (CHEMBL858331)	Compound was evaluated for binding activity against [3H]dexetimide as radioligand for muscarinic-acetylcholine receptor
50002987	5	ChEMBL_84708 (CHEMBL694447)	Compound was evaluated for binding activity against [3H]pyrilamine as radioligand for Histamine H1 receptor
50002987	8	ChEMBL_58225 (CHEMBL858328)	Compound was evaluated for binding activity against [3H]haloperidol as radioligand for Dopamine receptor D2
50002987	16	ChEMBL_201195 (CHEMBL802159)	Compound was evaluated for binding activity against [3H]-5-HT as radioligand for serotonin S1 receptor
50002987	18	ChEMBL_1948 (CHEMBL617555)	Binding affinity for membrane-bound 5-hydroxytryptamine 2 receptor
50002987	17	ChEMBL_38579 (CHEMBL651204)	Compound was evaluated for binding activity against [3H]dihydroalprenolol as radioligand for beta adrenergic receptor
50035634	9	ChEMBL_27945 (CHEMBL649126)	Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation
50035634	8	ChEMBL_27761 (CHEMBL643366)	Potency against human platelet A2 adenosine receptor by adenylate cyclase activation
50035634	7	ChEMBL_27760 (CHEMBL643365)	Potency against human platelet A2 adenosine receptor
50032731	7	ChEMBL_699808 (CHEMBL1645654)	Inhibition of CYP2C9
50032731	8	ChEMBL_699809 (CHEMBL1645655)	Inhibition of CYP3A4
50032731	9	ChEMBL_699811 (CHEMBL1645657)	Induction of pregnane X receptor
50032731	10	ChEMBL_699813 (CHEMBL1645659)	Inhibition of human ERG
50032732	1	ChEMBL_700048 (CHEMBL1646825)	Inhibition of rat liver cytosolic TrxR1 by spectrophotometry
50032732	2	ChEMBL_700049 (CHEMBL1646826)	Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry
50032732	4	ChEMBL_700051 (CHEMBL1646828)	Mixed-type inhibition of rat liver cytosolic TrxR1 at protein-substrate complex by Lineweaver-Burk plot analysis
50032732	5	ChEMBL_700053 (CHEMBL1646830)	Inhibition of yeast glutathione reductase by spectrophotometry
50032733	1	ChEMBL_700061 (CHEMBL1646838)	Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling
50032733	2	ChEMBL_700064 (CHEMBL1646841)	Displacement of [125I]SDF-1 from CXCR4 in human CEM-CCRF cells expressing CD4 by liquid scintillation counting
50032734	1	ChEMBL_700233 (CHEMBL1647334)	Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells
50032734	2	ChEMBL_700234 (CHEMBL1647335)	Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum
50032734	3	ChEMBL_700235 (CHEMBL1647336)	Inhibition of LFA1/ICAM1 interaction by ELISA
50032735	1	ChEMBL_700250 (CHEMBL1647351)	Inhibition of Electrophorus electricus AChE by Ellman's method
50032737	1	ChEMBL_700258 (CHEMBL1647476)	Inhibition of MMP-12 catalytic domain
50032738	2	ChEMBL_700285 (CHEMBL1647503)	Inhibition of cathepsin D
50032738	4	ChEMBL_700283 (CHEMBL1647501)	Inhibition of renin
50032739	1	ChEMBL_700294 (CHEMBL1647512)	Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting
50032739	2	ChEMBL_700297 (CHEMBL1647515)	Inhibition of human ERG by dofetilide binding assay
50032739	3	ChEMBL_700295 (CHEMBL1647513)	Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting
50032739	4	ChEMBL_700296 (CHEMBL1647514)	Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting
50032740	1	ChEMBL_700493 (CHEMBL1648152)	Transactivation of Gal4-fused human PPARalpha DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032740	2	ChEMBL_700497 (CHEMBL1648156)	Transactivation of full length human PPARgamma expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032740	3	ChEMBL_700496 (CHEMBL1648155)	Transactivation of full length human PPARalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032740	4	ChEMBL_700494 (CHEMBL1648153)	Transactivation of Gal4-fused human PPARgamma DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032740	5	ChEMBL_700495 (CHEMBL1648154)	Transactivation of Gal4-fused human PPARdelta DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032740	6	ChEMBL_700498 (CHEMBL1648157)	Transactivation of full length human PPARdelta expressed in african green monkey CV1 cells by luciferase reporter gene assay
50032741	1	ChEMBL_701206 (CHEMBL1648826)	Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay
50032741	2	ChEMBL_700502 (CHEMBL1648161)	Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay
50032741	3	ChEMBL_701207 (CHEMBL1648827)	Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay
50032741	4	ChEMBL_701208 (CHEMBL1648828)	Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay
50032741	5	ChEMBL_701209 (CHEMBL1648829)	Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay
50032742	1	ChEMBL_701231 (CHEMBL1648851)	Displacement of [3H]-CP55940 from human cloned CB1 receptor expressed in CHO cells
50032742	2	ChEMBL_701232 (CHEMBL1648852)	Displacement of [3H]-CP55940 from human cloned CB2 receptor expressed in CHO cells
50032742	3	ChEMBL_701233 (CHEMBL1648853)	Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50032742	4	ChEMBL_701235 (CHEMBL1648855)	Agonist activity at human cloned CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50032743	1	ChEMBL_701245 (CHEMBL1648865)	Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expressed in baculovirus
50032743	2	ChEMBL_701246 (CHEMBL1648866)	Binding affinity to progesterone receptor
50032743	3	ChEMBL_701248 (CHEMBL1648868)	Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as transactivation activity by luciferase reporter gene assay
50032743	4	ChEMBL_701334 (CHEMBL1648954)	Transrepression activity at glucocorticoid receptor in TNFalpha/IL1beta-stimulated human HepG2 cells assessed as inhibition of NFkappaB-dependent E-selectin transcription by luciferase reporter gene assay
50032743	5	ChEMBL_701336 (CHEMBL1648956)	Transrepression activity at glucocorticoid receptor in IL-1beta-stimulated human HepG2 cells assessed as inhibition of AP1 response element-induced IL-6 production by ELISA
50032743	6	ChEMBL_701337 (CHEMBL1648957)	Binding affinity to mineralocorticoid receptor
50032743	7	ChEMBL_701338 (CHEMBL1648958)	Binding affinity to androgen receptor
50032744	1	ChEMBL_701346 (CHEMBL1648966)	Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells
50041144	2	ChEMBL_89794 (CHEMBL698512)	Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive
50003004	3	ChEMBL_104810 (CHEMBL709695)	Competitive inhibitory activity against methionine adenosyltransferase
50032744	4	ChEMBL_701348 (CHEMBL1648968)	Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells
50035640	11	ChEMBL_2339 (CHEMBL617413)	Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- DOB as a radioligand
50035640	14	ChEMBL_788 (CHEMBL615392)	Binding affinity towards 5-hydroxytryptamine 1 receptor was determined
50035640	9	ChEMBL_2340 (CHEMBL617414)	Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- DOB as a radioligand.
50035640	7	ChEMBL_1890 (CHEMBL616486)	Binding affinity towards 5-hydroxytryptamine 2 receptor was determined
50032747	1	ChEMBL_698031 (CHEMBL1645782)	Inhibition of rabbit muscle glycogen phosphorylase a
50032748	1	ChEMBL_698078 (CHEMBL1645998)	Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells
50032748	2	ChEMBL_698079 (CHEMBL1645999)	Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay
50032749	1	ChEMBL_698180 (CHEMBL1646485)	Agonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as potentiation of PGE2-induced cAMP accumulation by scintillation proximity assay
50032749	2	ChEMBL_698178 (CHEMBL1646483)	Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting
50032749	3	ChEMBL_698179 (CHEMBL1646484)	Antagonist activity at human prostanoid EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by scintillation proximity assay
50032750	1	ChEMBL_698198 (CHEMBL1646503)	Binding affinity to T-type alpha1G calcium channel
50032750	2	ChEMBL_698199 (CHEMBL1646504)	Binding affinity to T-type alpha1I calcium channel
50032750	3	ChEMBL_698200 (CHEMBL1646505)	Inhibition of T-type alpha1G calcium channel
50032750	4	ChEMBL_698201 (CHEMBL1646506)	Inhibition of T-type alpha1G calcium channel expressed in HEK293 cells assessed as Kcl-induced depolarization
50032750	5	ChEMBL_698202 (CHEMBL1646507)	Inhibition of human hERG
50032751	1	ChEMBL_698206 (CHEMBL1646511)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by scintillation counting
50032751	2	ChEMBL_698209 (CHEMBL1646514)	Displacement of radioligand from mu opioid receptor
50032751	3	ChEMBL_698210 (CHEMBL1646515)	Displacement of radioligand from kappa opioid receptor
50032752	1	ChEMBL_698226 (CHEMBL1646531)	Inhibition of aldose reductase
50032752	2	ChEMBL_698222 (CHEMBL1646527)	Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis
50032753	1	ChEMBL_698243 (CHEMBL1646713)	Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate
50032753	2	ChEMBL_698242 (CHEMBL1646712)	Inhibition of human aldosterone synthase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate
50032753	3	ChEMBL_698315 (CHEMBL1646911)	Inhibition of human placental CYP19 using androstenedione as substrate
50035640	13	ChEMBL_2346 (CHEMBL617420)	Binding affinity towards 5-hydroxytryptamine 2 receptor was determined
50032754	1	ChEMBL_698317 (CHEMBL1646913)	Oxidative inactivation of lymphoid tyrosine phosphatase by DiFMUP assay
50032755	1	ChEMBL_698552 (CHEMBL1647727)	Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis
50032755	2	ChEMBL_698556 (CHEMBL1647731)	Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE1 complex formation
50032755	3	ChEMBL_698557 (CHEMBL1647732)	Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE4 complex formation
50032756	1	ChEMBL_698563 (CHEMBL1647738)	Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 mins by scintillation counting
50032756	2	ChEMBL_698560 (CHEMBL1647735)	Displacement of [3H]2BFI from imidazoline I1 receptor in Sprague-Dawley rat brain membrane after 45 mins by liquid scintillation counting
50032756	3	ChEMBL_698561 (CHEMBL1647736)	Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting
50032757	1	ChEMBL_698572 (CHEMBL1647747)	Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells
50032757	2	ChEMBL_698571 (CHEMBL1647746)	Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig
50032758	1	ChEMBL_698589 (CHEMBL1647862)	Agonist activity at mouse PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 by luciferase reporter gene assay
50032758	2	ChEMBL_698586 (CHEMBL1647859)	Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells co-transfected with Gal4 by luciferase reporter gene assay
50032758	3	ChEMBL_698583 (CHEMBL1647856)	Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 by luciferase reporter gene assay
50032759	1	ChEMBL_699068 (CHEMBL1646349)	Inhibition of EGFR by HTRF assay
50035640	15	ChEMBL_1197 (CHEMBL615963)	Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand.
50032760	1	ChEMBL_699400 (CHEMBL1647427)	Displacement of radioligand from human FXR by scintillation proximity assay
50032760	2	ChEMBL_699401 (CHEMBL1647428)	Agonist activity at human FXR expressed in cells assessed as transactivation by luciferase transcriptional reporter gene assay
50032761	1	ChEMBL_699419 (CHEMBL1647446)	Inhibition of CYP1A2
50032761	2	ChEMBL_699420 (CHEMBL1647447)	Inhibition of CYP2C9
50032761	3	ChEMBL_699421 (CHEMBL1647448)	Inhibition of CYP2C19
50032761	4	ChEMBL_699422 (CHEMBL1647449)	Inhibition of CYP3A4
50032762	1	ChEMBL_699426 (CHEMBL1647453)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay
50032762	2	ChEMBL_699427 (CHEMBL1647454)	Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation by luminometry
50032762	3	ChEMBL_699594 (CHEMBL1647952)	Inhibition of human CYP2D6
50032762	4	ChEMBL_699595 (CHEMBL1647953)	Inhibition of human CYP3A4
50032763	1	ChEMBL_699648 (CHEMBL1648128)	Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay
50032764	1	ChEMBL_699651 (CHEMBL1648131)	Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay
50032764	2	ChEMBL_699650 (CHEMBL1648130)	Inhibition of human recombinant MAOA expressed in insect cells by fluorescence assay
50032765	1	ChEMBL_699661 (CHEMBL1648304)	Binding affinity to human GRB7 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50035640	16	ChEMBL_1800 (CHEMBL616773)	Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand.
50035640	17	ChEMBL_1848 (CHEMBL616819)	Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.
50048732	1	ChEMBL_75478 (CHEMBL687343)	In vitro inhibition of SRS-A-induced contractions in guinea pig ileum
50048733	1	ChEMBL_33404 (CHEMBL647012)	Binding affinity towards alpha 1 adrenergic receptor
50048733	2	ChEMBL_33166 (CHEMBL641044)	Binding affinity towards alpha 2 adrenergic receptor
50032767	1	ChEMBL_699916 (CHEMBL1646135)	Inhibition of ovine COX1 after 5 mins by microplate reader assay
50032767	2	ChEMBL_699917 (CHEMBL1646136)	Inhibition of ovine COX2 after 5 mins by microplate reader assay
50032768	1	ChEMBL_700097 (CHEMBL1646979)	Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation counting
50032768	2	ChEMBL_700095 (CHEMBL1646872)	Inhibition of CDK5
50032768	3	ChEMBL_700096 (CHEMBL1646978)	Inhibition of CDK2/Cyclin A
50032769	1	ChEMBL_700107 (CHEMBL1646989)	Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50032769	2	ChEMBL_700108 (CHEMBL1646990)	Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50032769	3	ChEMBL_700105 (CHEMBL1646987)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50032770	1	ChEMBL_700123 (CHEMBL1647005)	Inhibition of HDAC1
50032770	2	ChEMBL_700124 (CHEMBL1647006)	Inhibition of HDAC2
50032770	3	ChEMBL_700125 (CHEMBL1647007)	Inhibition of HDAC3
50032771	1	ChEMBL_700136 (CHEMBL1647018)	Displacement of [125I]DMIC from Amyloid beta (1 to 42) after 3 hrs by gamma counting
50032772	1	ChEMBL_700608 (CHEMBL1648597)	Displacement of [3H]WIN35428 from human DAT transfected cell membrane
50032772	2	ChEMBL_700609 (CHEMBL1648598)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membrane
50032773	1	ChEMBL_700610 (CHEMBL1648599)	Agonist activity at human recombinant 5HT2C receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay
50032773	2	ChEMBL_700612 (CHEMBL1648601)	Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay
50032773	3	ChEMBL_700614 (CHEMBL1648603)	Agonist activity at human recombinant 5HT2B receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay
50032774	1	ChEMBL_700629 (CHEMBL1648618)	Inhibition of Pseudomonas aeruginosa peptide deformylase after 10 mins by fluorescence assay
50032775	1	ChEMBL_700639 (CHEMBL1648628)	Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as decrease in 10 uM 5-chloroindole-induced increase in intracellular calcium release
50032775	2	ChEMBL_700827 (CHEMBL1646221)	Inhibition of human CYP3A4
50032775	3	ChEMBL_700634 (CHEMBL1648623)	Binding affinity to human 5HT3A receptor
50032775	4	ChEMBL_700635 (CHEMBL1648624)	Partial agonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as effect on serotonin-induced response
50032776	1	ChEMBL_700844 (CHEMBL1646403)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat PC12 cells
50032776	2	ChEMBL_700846 (CHEMBL1646405)	Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes
50032776	3	ChEMBL_700893 (CHEMBL1646452)	Inhibition of muscarinic M3 receptor
50032776	4	ChEMBL_700896 (CHEMBL1646455)	Inhibition of muscarinic M5 receptor
50032776	5	ChEMBL_700857 (CHEMBL1646416)	Inhibition of Alpha-2C adrenergic receptor
50032776	6	ChEMBL_700873 (CHEMBL1646432)	Inhibition of H2 receptor
50032776	7	ChEMBL_700891 (CHEMBL1646450)	Inhibition of muscarinic M2 receptor
50032776	8	ChEMBL_700871 (CHEMBL1646430)	Inhibition of H1 receptor
50032776	9	ChEMBL_700847 (CHEMBL1646406)	Displacement of [3H]nisoxetine from human NET expressed in HEK cells
50032776	10	ChEMBL_700864 (CHEMBL1646423)	Inhibition of dopamine D3 receptor
50032776	11	ChEMBL_700881 (CHEMBL1646440)	Inhibition of 5HT2A receptor
50032776	12	ChEMBL_700883 (CHEMBL1646442)	Inhibition of 5HT2B receptor
50032776	13	ChEMBL_700854 (CHEMBL1646413)	Inhibition of alpha2A adrenergic receptor
50032776	14	ChEMBL_700848 (CHEMBL1646407)	Displacement of [3H]citalopram from human SERT expressed in HEK cells
50032776	15	ChEMBL_700868 (CHEMBL1646427)	Inhibition of dopamine D5 receptor
50032776	16	ChEMBL_700839 (CHEMBL1646233)	Inhibition of NET
50032776	17	ChEMBL_700843 (CHEMBL1646237)	Inhibition of muscarinic M1 receptor
50032776	18	ChEMBL_700840 (CHEMBL1646234)	Inhibition of SERT
50032776	19	ChEMBL_700838 (CHEMBL1646232)	Inhibition of DAT
50032776	20	ChEMBL_700900 (CHEMBL1646459)	Inhibition of 5HT6 receptor
50032776	21	ChEMBL_700901 (CHEMBL1646460)	Inhibition of muscarinic M4 receptor
50032777	1	ChEMBL_701134 (CHEMBL1648232)	Antagonist activity at alpha6 nAChR in rat striatum assessed as inhibition of nicotine-induced [3H]dopamine release
50032778	1	ChEMBL_701136 (CHEMBL1648234)	Displacement of [125I]glucagon from human GCGR expressed in CHO cells
50032778	2	ChEMBL_701138 (CHEMBL1648236)	Antagonist activity at human GIPR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50032778	3	ChEMBL_701273 (CHEMBL1648893)	Antagonist activity at mouse GCGR assessed as inhibition of glucagon-induced cAMP accumulation
50032778	4	ChEMBL_701274 (CHEMBL1648894)	Antagonist activity at rat GCGR assessed as inhibition of glucagon-induced cAMP accumulation
50032778	8	ChEMBL_701151 (CHEMBL1648771)	Antagonist activity at human PACAPR1 expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation
50032778	9	ChEMBL_701152 (CHEMBL1648772)	Inhibition of human ERG
50032778	10	ChEMBL_701157 (CHEMBL1648777)	Inhibition of CYP2D6
50032778	11	ChEMBL_701158 (CHEMBL1648778)	Inhibition of CYP3A4
50032778	12	ChEMBL_701159 (CHEMBL1648779)	Inhibition of CYP2C8
50032778	13	ChEMBL_701160 (CHEMBL1648780)	Inhibition of CYP2C9
50032778	14	ChEMBL_701161 (CHEMBL1648781)	Activity at human PXR
50032779	1	ChEMBL_701286 (CHEMBL1648906)	Binding affinity to 5HT7 receptor
50032779	2	ChEMBL_701285 (CHEMBL1648905)	Displacement of [3H]5-CT from rat recombinant 5HT7 receptor expressed in HEK293 cells after 60 mins
50032780	1	ChEMBL_701300 (CHEMBL1648920)	Inhibition of Sprague-Dawley rat imidazoline I1 receptor
50032780	2	ChEMBL_701303 (CHEMBL1648923)	Inhibition of Wistar rat imidazoline I1 receptor
50032781	1	ChEMBL_698537 (CHEMBL1647712)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding
50032781	2	ChEMBL_698534 (CHEMBL1647709)	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr
50032781	3	ChEMBL_698535 (CHEMBL1647710)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr
50032782	1	ChEMBL_698981 (CHEMBL1646085)	Inhibition of CYP1A2
50032782	2	ChEMBL_698982 (CHEMBL1646086)	Inhibition of CYP2D6
50032782	3	ChEMBL_698983 (CHEMBL1646087)	Inhibition of CYP2C9
50032782	4	ChEMBL_698984 (CHEMBL1646088)	Inhibition of CYP2C19
50032782	5	ChEMBL_698985 (CHEMBL1646089)	Inhibition of CYP3A4
50048734	1	ChEMBL_32395 (CHEMBL648031)	Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration
50048734	2	ChEMBL_34381 (CHEMBL648473)	Compound was tested for its binding affinity for alpha-2 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration
50048734	3	ChEMBL_32397 (CHEMBL648033)	Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration
50048734	4	ChEMBL_32398 (CHEMBL648034)	Compound was tested for its binding affinity for alpha-1 adrenoceptor site by displacement of [3H]-clonidine at 10e-6 M concentration
50048734	5	ChEMBL_32396 (CHEMBL648032)	Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentration
50003106	2	ChEMBL_28997 (CHEMBL643472)	Binding affinity against adenosine A1 receptor in rat brain membrane using N6-[3H]cyclohexyladenosine
50035644	3	ChEMBL_30696 (CHEMBL644771)	Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA (1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide) displacement.
50032782	9	ChEMBL_698980 (CHEMBL1646084)	Inhibition of human ERG by patch clamp assay
50032783	1	ChEMBL_698986 (CHEMBL1646090)	Inhibition of c-Src after 60 mins
50032783	2	ChEMBL_698987 (CHEMBL1646091)	Inhibition of human Cck
50032783	3	ChEMBL_698988 (CHEMBL1646092)	Inhibition of human EGFR
50032783	4	ChEMBL_698989 (CHEMBL1646093)	Inhibition of human activated Lck
50032784	1	ChEMBL_699031 (CHEMBL1646312)	Inhibition of IKK2
50048735	1	ChEMBL_217354 (CHEMBL822709)	Inhibition of Guinea Pig cAMP specific phosphodiesterase (PDE III)
50032785	1	ChEMBL_699035 (CHEMBL1646316)	Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay
50032785	2	ChEMBL_699036 (CHEMBL1646317)	Inhibition of PDE1B
50032785	3	ChEMBL_699038 (CHEMBL1646319)	Inhibition of PDE3A
50032785	4	ChEMBL_699039 (CHEMBL1646320)	Inhibition of PDE4D6
50048735	2	ChEMBL_217478 (CHEMBL823554)	Inhibition of Guinea Pig cAMP specific phosphodiesterase (PDE III)
50048735	3	ChEMBL_217479 (CHEMBL823555)	Inhibition of Guinea Pig cAMP specific phosphodiesterase (PDE III); range 4 to 10
50032785	6	ChEMBL_699041 (CHEMBL1646322)	Inhibition of PDE7B
50032786	1	ChEMBL_699051 (CHEMBL1646332)	Displacement of fluorescent SM5F peptide from XIAP linker BIR3 domain after 3 hrs by fluorescence polarization assay
50048736	1	ChEMBL_218069 (CHEMBL821941)	Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.
50048736	2	ChEMBL_218082 (CHEMBL822529)	Binding affinity against alpha-2-adrenoceptor was determined by displacement of [3H]-clonidine in rat brain homogenates
50048736	3	ChEMBL_218068 (CHEMBL821940)	Binding affinity against alpha-1-adrenoceptor was determined by displacement of [3H]-prazosin in rat brain homogenates.
50035646	46	ChEMBL_2382 (CHEMBL617661)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue.; value may range from 76 to 299
50035646	43	ChEMBL_2385 (CHEMBL617663)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 197 to 341
50035646	51	ChEMBL_2378 (CHEMBL617451)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 165 to 263
50035646	40	ChEMBL_2388 (CHEMBL617666)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 6 to 75
50035646	50	ChEMBL_2379 (CHEMBL617452)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 2.4 to 5.3
50035646	41	ChEMBL_2387 (CHEMBL617665)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 29 to 132
50035646	39	ChEMBL_62712 (CHEMBL675805)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 0.7 to 3.5
50035646	47	ChEMBL_2381 (CHEMBL617660)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue.; value may range from 140 to 980
50035646	49	ChEMBL_1921 (CHEMBL616975)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue.
50035646	45	ChEMBL_2383 (CHEMBL617662)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]-Spiperone as the radioligand in rat cortical tissue; value may range from 12 to 66
50035646	44	ChEMBL_2384 (CHEMBL872919)	In vitro 5-hydroxytryptamine 2 receptor affinity by using [3H]spiperone as the radioligand in rat cortical tissue; value may range from 136 to 220
50035646	4	ChEMBL_62713 (CHEMBL671456)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 113 to 362
50035648	4	ChEMBL_143178 (CHEMBL749841)	Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%
50035648	6	ChEMBL_58534 (CHEMBL669081)	Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%
50035648	7	ChEMBL_31715 (CHEMBL645375)	Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity
50032787	5	ChEMBL_699064 (CHEMBL1646345)	Inhibition of rat 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50001896	17	ChEMBL_154246 (CHEMBL765544)	Inhibitory concentration against cGMP PDE I enzyme in guinea pig
50001896	13	ChEMBL_154255 (CHEMBL765553)	Inhibitory concentration against cAMP PDE I enzyme in guinea pig
50001896	19	ChEMBL_154390 (CHEMBL759152)	Inhibitory concentration against cGMP PDE II enzyme in guinea pig
50032789	2	ChEMBL_699281 (CHEMBL1647101)	Binding affinity to 5-HT1A receptor
50032789	3	ChEMBL_699282 (CHEMBL1647102)	Binding affinity to 5-HT1B receptor
50032789	4	ChEMBL_699283 (CHEMBL1647103)	Binding affinity to 5-HT1D receptor
50032789	5	ChEMBL_699284 (CHEMBL1647104)	Binding affinity to 5-HT2B receptor
50032789	6	ChEMBL_699285 (CHEMBL1647105)	Binding affinity to 5-HT2C receptor
50032789	7	ChEMBL_699286 (CHEMBL1647106)	Binding affinity to 5-HT7 receptor
50032789	8	ChEMBL_699287 (CHEMBL1647107)	Binding affinity to adrenergic alpha2A receptor
50032789	9	ChEMBL_699288 (CHEMBL1647108)	Binding affinity to dopamine D2 receptor
50032790	4	ChEMBL_699307 (CHEMBL1647127)	Inhibition of [3H]serotonin reuptake at SERT in rat corpus striatum by scintillation counting
50032790	5	ChEMBL_699308 (CHEMBL1647128)	Inhibition of [3H]dopamine reuptake at DAT in rat hypothalamus by scintillation counting
50032790	6	ChEMBL_699309 (CHEMBL1647129)	Inhibition of [3H]norepinephrine reuptake at NET in rat brain synaptosome by scintillation counting
50032790	7	ChEMBL_699313 (CHEMBL1647133)	Inhibition of CYP2C9
50032790	8	ChEMBL_699315 (CHEMBL1647135)	Inhibition of CYP2D6
50032790	9	ChEMBL_699316 (CHEMBL1647136)	Inhibition of CYP3A4
50032790	10	ChEMBL_699317 (CHEMBL1647137)	Inhibition of human ERG
50032790	11	ChEMBL_699314 (CHEMBL1647134)	Inhibition of CYP2C19
50032791	1	ChEMBL_699332 (CHEMBL1647250)	Inhibition of human prostate 5alpha-reductase type 2 assessed as formation dihydrotestosterone from [4-14C] testosterone
50032792	2	ChEMBL_699335 (CHEMBL1647253)	Inhibition of CETP-mediated cholesteryl ester transfer in human serum after 1 hr
50035649	8	ChEMBL_154244 (CHEMBL765382)	Inhibition cGMP PDE I enzyme
50035649	10	ChEMBL_154258 (CHEMBL765556)	Inhibition of cAMP PDE II enzyme
50032793	1	ChEMBL_699547 (CHEMBL1647802)	Agonist activity at Gal4-fused human PPARdelta DNA binding domain expressed in HEK293 cells by luciferase reporter gene assay
50032793	2	ChEMBL_699545 (CHEMBL1647800)	Agonist activity at Gal4-fused human PPARalpha DNA binding domain expressed in HEK293 cells by luciferase reporter gene assay
50032793	3	ChEMBL_699546 (CHEMBL1647801)	Agonist activity at Gal4-fused human PPARgamma DNA binding domain expressed in HEK293 cells by luciferase reporter gene assay
50032793	4	ChEMBL_699551 (CHEMBL1647909)	Induction of PPARdelta-mediated PDK4 mRNA upregulation in human myoblast after 24 hrs
50035651	3	ChEMBL_72016 (CHEMBL685198)	Compound was evaluated for binding affinity by the inhibition of Glutamine synthetase (Escherichia coli) activity using biosynthetic assay [mixed Non-competitive inhibition]
50002908	2	ChEMBL_157976 (CHEMBL856202)	Ability to inhibit Prostaglandin G/H synthase in guinea pig
50035652	2	ChEMBL_34300 (CHEMBL652744)	Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat
50035652	3	ChEMBL_2319 (CHEMBL617526)	Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat
50035653	2	ChEMBL_195767 (CHEMBL803432)	Evaluated in vitro for inhibitory potency against renin.
50048741	2	ChEMBL_217191 (CHEMBL822382)	Inhibition of human platelet cAMP phosphodiesterase, 20% inhibition at E-4M
50048741	3	ChEMBL_217190 (CHEMBL821514)	Inhibition of human platelet cAMP phosphodiesterase
50003118	6	ChEMBL_217523 (CHEMBL820846)	Ability to inhibit the rat PMN (polymorphonuclear leukocyte) CO (cyclo-oxygenase) in vitro was determined
50048742	1	ChEMBL_60019 (CHEMBL675844)	Inhibitory concentration against [3H]- spiperone binding to Dopamine receptor at 10 mg/kg
50032796	1	ChEMBL_699573 (CHEMBL1647931)	Inhibition of human recombinant 5HT transporter
50032796	2	ChEMBL_699574 (CHEMBL1647932)	Inhibition of human recombinant norepinephrine transporter
50032796	3	ChEMBL_699575 (CHEMBL1647933)	Inhibition of human recombinant dopamine transporter
50032796	4	ChEMBL_699579 (CHEMBL1647937)	Inhibition of CYP2C9
50032796	5	ChEMBL_699580 (CHEMBL1647938)	Inhibition of CYP2C19
50032796	6	ChEMBL_699581 (CHEMBL1647939)	Inhibition of CYP2D6
50032796	7	ChEMBL_699582 (CHEMBL1647940)	Inhibition of CYP3A4
50032796	8	ChEMBL_699583 (CHEMBL1647941)	Inhibition of human ERG
50035663	6	ChEMBL_3910 (CHEMBL619914)	In vitro inhibitory activity against RBL-1 5-LO
50048743	8	ChEMBL_38747 (CHEMBL651855)	Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic receptor of rat heart reticulocytes
50048745	1	ChEMBL_157980 (CHEMBL767507)	In vitro inhibitory activity against cyclooxygenase of human platelets was determined
50048746	1	ChEMBL_49552 (CHEMBL664277)	Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex
50035669	2	ChEMBL_68566 (CHEMBL679653)	Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes
50048747	1	ChEMBL_216037 (CHEMBL819744)	Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol
50048747	2	ChEMBL_216038 (CHEMBL819745)	Evaluated for beta-receptor affinity, determined in rat brain membrane fraction with [3H]- dihydroalprenolol
50048748	1	ChEMBL_138637 (CHEMBL749268)	Inhibit the binding of [N-mnethyl-3H]-scopolamine [3H]-NMS) to Muscarinic acetylcholine receptor of human IRM-30 neuroblastoma cells
50048750	1	ChEMBL_104820 (CHEMBL872556)	Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when ATP was used as variable substrate;Competitive type of inhibition
50048750	2	ChEMBL_104817 (CHEMBL709853)	Inhibition constant of compound with Novikoff ascitic hepatoma (M-T) form of rat methionine adenosyltransferase when ATP was used as variable substrate;Competitive type of inhibition
50048750	3	ChEMBL_104819 (CHEMBL709855)	Inhibition constant of compound with Novikoff ascitic hepatoma (M-T) form of rat methionine adenosyltransferase when methionine was used as variable substrate;Simple non-competitive type of inhibition
50048750	4	ChEMBL_104956 (CHEMBL715638)	Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when methionine was used as variable substrate;Simple non-competitive type of inhibition
50048750	5	ChEMBL_104821 (CHEMBL712418)	Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when methionine was used as variable substrate;Competitive type of inhibition
50048750	6	ChEMBL_104957 (CHEMBL715639)	Inhibition constant of compound with kidney (M-2) form of rat methionine adenosyltransferase when methionine was used as variable substrate competitive type of inhibition
50048750	7	ChEMBL_104818 (CHEMBL709854)	Inhibition constant of compound with Novikoff ascitic hepatoma (M-T) form of rat methionine adenosyltransferase when ATP was used as variable substrate competitive type of inhibition
50048751	1	ChEMBL_2321 (CHEMBL617528)	Affinity towards [3H]- DOB -labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates
50048751	2	ChEMBL_2322 (CHEMBL617529)	Affinity towards [3H]- ketanserin-labeled 5-hydroxytryptamine 2 receptor sites in rat cortical homogenates
50035677	4	ChEMBL_27948 (CHEMBL649129)	Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane
50048752	1	ChEMBL_34213 (CHEMBL649229)	Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.
50048752	2	ChEMBL_34433 (CHEMBL649436)	Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.
50048752	3	ChEMBL_34212 (CHEMBL873173)	Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.
50002816	15	ChEMBL_154252 (CHEMBL765550)	Inhibition of cAMP-phosphodiesterase PDE 1 from guinea pig, range 34-43
50002816	5	ChEMBL_154261 (CHEMBL765559)	Inhibition of cGMP phosphodiesterase PDE 2 from guinea pig, range 27-41
50002816	11	ChEMBL_154254 (CHEMBL765552)	Inhibition of cGMP phosphodiesterase PDE 1 from guinea pig, range 170-510
50002816	13	ChEMBL_154403 (CHEMBL759165)	Inhibition of cAMP-phosphodiesterase PDE 3 from guinea pig, range 1.9-3.1
50002816	14	ChEMBL_154251 (CHEMBL765549)	Inhibition of cAMP-phosphodiesterase PDE 1 from guinea pig, range 190-430
50002816	6	ChEMBL_154260 (CHEMBL765558)	Inhibition of cGMP phosphodiesterase PDE 2 from guinea pig, range 120-290
50001547	2	ChEMBL_49551 (CHEMBL664276)	Binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in mouse brain membranes at a KD concentration of 0.19 nM
50048753	1	ChEMBL_34520 (CHEMBL648161)	In vitro binding affinity determined for alpha-2 adrenergic receptor by the percentage displacement of [3H]- clonidine at 10e-6 M
50048753	2	ChEMBL_32548 (CHEMBL645683)	In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.
50035685	6	ChEMBL_49555 (CHEMBL663471)	Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor
50035685	7	ChEMBL_75464 (CHEMBL687331)	Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands
50035685	8	ChEMBL_49420 (CHEMBL658780)	Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor
50048754	1	ChEMBL_33317 (CHEMBL645613)	Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor of purified human platelet plasma membranes
50048755	1	ChEMBL_217178 (CHEMBL821502)	Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE)
50048756	1	ChEMBL_49561 (CHEMBL663477)	Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini
50048756	2	ChEMBL_49421 (CHEMBL658781)	Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes
50048757	1	ChEMBL_139459 (CHEMBL752167)	Binding affinity against Muscarinic acetylcholine receptor was determined in homogenized rat cortex tissue using [3H]N-methylscopolamine as radioligand
50048758	1	ChEMBL_154396 (CHEMBL759158)	Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 1.875 mg/kg intravenous dose
50048758	2	ChEMBL_154397 (CHEMBL759159)	Inhibitory activity against canine cardiac fraction III cyclic AMP phosphodiesterase (PDE III) at 8.75 mg/kg intravenous dose
50048758	3	ChEMBL_154395 (CHEMBL759157)	Inhibition of canine cardiac fraction III cAMP phosphodiesterase (PDE 3) at 0.875 mg/kg intravenous dose
50035690	23	ChEMBL_193337 (CHEMBL872597)	Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes
50035690	14	ChEMBL_2342 (CHEMBL617416)	Binding affinity towards 5-hydroxytryptamine 2 receptor
50035690	18	ChEMBL_201197 (CHEMBL802161)	Binding affinity towards serotonin S1 receptor
50035690	19	ChEMBL_2343 (CHEMBL617417)	Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration
50035690	24	ChEMBL_193336 (CHEMBL802855)	Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes
50035690	21	ChEMBL_216007 (CHEMBL820509)	Binding affinity towards alpha-1 adrenergic receptor at 1.0 uM concentration
50048759	1	ChEMBL_216139 (CHEMBL816957)	Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro
50048759	2	ChEMBL_34299 (CHEMBL652743)	Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro
50048759	3	ChEMBL_34076 (CHEMBL644573)	Ability to displace [3H]-clonidine from alpha-1 adrenergic receptor in rat brain homogenates in vitro
50048759	4	ChEMBL_34077 (CHEMBL644574)	Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro
50048760	1	ChEMBL_146287 (CHEMBL756532)	Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor
50035693	4	ChEMBL_198108 (CHEMBL802840)	Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices
50035693	3	ChEMBL_31138 (CHEMBL644805)	Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes
50048761	1	ChEMBL_34208 (CHEMBL649225)	Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes
50048761	2	ChEMBL_34427 (CHEMBL649430)	Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value ranges from 4.6-30.6
50048761	3	ChEMBL_34426 (CHEMBL873184)	Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value ranges from 221-499
50048761	4	ChEMBL_34065 (CHEMBL643922)	The compound was evaluated for the alpha-2 adrenergic receptor antagonistic activity in rat vas deferens vs clonidine
50048761	5	ChEMBL_34066 (CHEMBL643923)	Alpha-2 adrenergic receptor antagonistic activity in rat vas deferens.
50048761	6	ChEMBL_34209 (CHEMBL649226)	Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes
50048761	7	ChEMBL_34428 (CHEMBL649431)	Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value ranges from 6.06-7.06
50048761	8	ChEMBL_34068 (CHEMBL643925)	The compound was evaluated for the alpha-2 adrenergic receptor antagonistic activity in rat vas deferens; the effect was not yohimbine reversible.
50048761	9	ChEMBL_218547 (CHEMBL823770)	Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes
50048761	10	ChEMBL_34064 (CHEMBL643921)	The compound was evaluated for the alpha-2 adrenergic receptor activity in rat vas deferens.
50048761	11	ChEMBL_34429 (CHEMBL649432)	Binding affinity against alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes; value ranges from 7.8-34.6
50048762	1	ChEMBL_38741 (CHEMBL651099)	The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.
50048762	2	ChEMBL_39016 (CHEMBL652669)	The compound was evaluated for the inhibition of [125I]cyanopindolol binding to beta adrenergic receptor in rat reticulocyte membrane.
50048763	1	ChEMBL_31264 (CHEMBL641416)	Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using ATP as the variable substrate; Inhibition is competitive type
50048763	2	ChEMBL_31261 (CHEMBL641413)	Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using ATP as the variable substrate; Inhibition is competitive type
50048763	3	ChEMBL_31265 (CHEMBL641417)	Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using Methionine as the variable substrate; Inhibition is non competitive inhibition
50048763	4	ChEMBL_31263 (CHEMBL641415)	Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using Methionine as the variable substrate; Inhibition is non competitive type
50048763	5	ChEMBL_31266 (CHEMBL641418)	Inhibition constants of MT Forms of rat Novikoff Ascitic Hepatomae using Methionine as the variable substrate; Inhibition is non competitive type
50048763	6	ChEMBL_31262 (CHEMBL641414)	Inhibition constants of M-2 Forms of rat methionine adenosyltransferase using Methionine as the variable substrate; Inhibition is competitive type
50002564	3	ChEMBL_196095 (CHEMBL804779)	Inhibition of human renal renin at the pH optimum 6.0.
50035697	2	ChEMBL_210584 (CHEMBL817394)	Inhibition of plasma fibrin clot formation by thrombin in vitro.
50048764	1	ChEMBL_138763 (CHEMBL747849)	Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex
50048764	2	ChEMBL_138384 (CHEMBL878658)	Dissociation constant of the drug-receptor complex was measured in guinea pig urinary bladder
50048764	3	ChEMBL_138634 (CHEMBL749265)	In vitro muscarinic activity was measured on isolated guinea pig urinary bladder
50048764	4	ChEMBL_70846 (CHEMBL680346)	In vitro muscarinic activity was measured on isolated guinea pig ileum
50048765	1	ChEMBL_49422 (CHEMBL658782)	Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue
50048765	2	ChEMBL_49563 (CHEMBL663479)	Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue
50048765	3	ChEMBL_49562 (CHEMBL663478)	Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue
50035702	2	ChEMBL_30717 (CHEMBL646484)	Binding affinity towards adenosine A2 receptor on rat striatal membrane using [3H]NECA as radioligand
50035702	3	ChEMBL_29324 (CHEMBL642988)	Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine
50048766	1	ChEMBL_75477 (CHEMBL687342)	Inhibition of LTC4 induced smooth muscle contraction of guinea pig ileum
50002088	5	ChEMBL_2395 (CHEMBL617673)	Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum
50002088	4	ChEMBL_32550 (CHEMBL645685)	Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum
50002089	7	ChEMBL_34438 (CHEMBL646868)	Binding affinity against alpha-1 adrenergic receptor of rat was determined using 0.5 nM of [3H]WB-4101 in binding assay
50002089	10	ChEMBL_62243 (CHEMBL671575)	Binding affinity against Dopamine receptor D2 of rat was determined using 2 nM of [3H]sulpiride in binding assay
50035705	10	ChEMBL_33183 (CHEMBL642057)	Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine
50035705	13	ChEMBL_30107 (CHEMBL642034)	Binding affinity against alpha-2 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine
50035705	11	ChEMBL_33481 (CHEMBL649812)	Agonistic potency at alpha 2-Adrenergic receptor for inhibition of 10 uM forskolin-elicited stimulation of adenylate cyclase in human platelet membranes
50002512	7	ChEMBL_27756 (CHEMBL641992)	Inhibition of 2-CADO-stimulated adenylate cyclase at Adenosine A2 receptor in guinea pig cerebral cortical slices
50002512	5	ChEMBL_27918 (CHEMBL642326)	In vitro binding affinity to Adenosine A2 receptor of human platelets by inhibition of NECA-stimulated adenylate cyclase
50048767	1	ChEMBL_217319 (CHEMBL821993)	Inhibition of platelet cAMP phosphodiesterase
50048768	1	ChEMBL_217188 (CHEMBL821512)	In vitro inhibitory activity against platelet phosphodiesterase (PDE)
50002093	4	ChEMBL_200345 (CHEMBL807247)	Binding affinity in competition with [125I]- CGP-23996 in somatostatin receptor binding to rat brain membrane
50035711	3	ChEMBL_59613 (CHEMBL670949)	Potency to displace the specific in vitro binding of [3H]-N-0437 to calf striatal membrane
50035712	6	ChEMBL_35352 (CHEMBL647934)	Inhibitory activity against aminopeptidase B
50048769	1	ChEMBL_202554 (CHEMBL804527)	In vitro inhibition of [3H]-BTX-B binding to sodium channels in rat brain synapto-neurosomes
50035714	3	ChEMBL_42776 (CHEMBL660040)	Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.
50035715	7	ChEMBL_49425 (CHEMBL659628)	Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue
50035715	8	ChEMBL_49424 (CHEMBL659627)	Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor from guinea pig brain tissue
50032819	1	ChEMBL_701593 (CHEMBL1656352)	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate
50032819	2	ChEMBL_701594 (CHEMBL1656353)	Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate
50032820	2	ChEMBL_701615 (CHEMBL1656374)	Inhibition of cKIT by TR-FRET based LanthaScreen assay
50032820	3	ChEMBL_701616 (CHEMBL1656375)	Inhibition of LCK by TR-FRET based LanthaScreen assay
50032820	11	ChEMBL_701619 (CHEMBL1656378)	Inhibition of MNK2 by TR-FRET based LanthaScreen assay
50032820	7	ChEMBL_701622 (CHEMBL1656381)	Inhibition of TYK2 by TR-FRET based LanthaScreen assay
50032820	8	ChEMBL_701623 (CHEMBL1656382)	Inhibition of VEGFR2 by TR-FRET based LanthaScreen assay
50032820	10	ChEMBL_701613 (CHEMBL1656372)	Inhibition of ERK2 by Caliper mobility shift assay
50032820	1	ChEMBL_701614 (CHEMBL1656373)	Inhibition of EPHB4 by TR-FRET based LanthaScreen assay
50032820	6	ChEMBL_701621 (CHEMBL1656380)	Inhibition of RET by TR-FRET based LanthaScreen assay
50032820	4	ChEMBL_701617 (CHEMBL1656376)	Inhibition of MEK2 by TR-FRET based LanthaScreen assay
50032820	5	ChEMBL_701618 (CHEMBL1656377)	Inhibition of MK5 by TR-FRET based LanthaScreen assay
50032820	13	ChEMBL_701624 (CHEMBL1656383)	Inhibition of Aurora A kinase by Caliper mobility shift assay
50032820	14	ChEMBL_701625 (CHEMBL1656384)	Inhibition of Axl by TR-FRET based LanthaScreen assay
50032820	15	ChEMBL_701626 (CHEMBL1656385)	Inhibition of BTK by TR-FRET based LanthaScreen assay
50032820	16	ChEMBL_701628 (CHEMBL1656387)	Inhibition of CDK2A by Caliper mobility shift assay
50032820	17	ChEMBL_701630 (CHEMBL1656389)	Inhibition of ZAP70 by TR-FRET based LanthaScreen assay
50032820	18	ChEMBL_701632 (CHEMBL1656391)	Inhibition of EPHA4 by TR-FRET based LanthaScreen assay
50032820	19	ChEMBL_701633 (CHEMBL1656525)	Inhibition of FGFR3 by TR-FRET based LanthaScreen assay
50032820	20	ChEMBL_701634 (CHEMBL1656526)	Inhibition of GSK3-beta by TR-FRET based LanthaScreen assay
50032820	21	ChEMBL_701635 (CHEMBL1656527)	Inhibition of HER2 by TR-FRET based LanthaScreen assay
50032820	22	ChEMBL_701636 (CHEMBL1656528)	Inhibition of HGFR by TR-FRET based LanthaScreen assay
50032820	23	ChEMBL_701637 (CHEMBL1656529)	Inhibition of IGF1R by TR-FRET based LanthaScreen assay
50032820	25	ChEMBL_701639 (CHEMBL1656531)	Inhibition of JAK1 by TR-FRET based LanthaScreen assay
50032820	26	ChEMBL_701640 (CHEMBL1656532)	Inhibition of JAK2 by TR-FRET based LanthaScreen assay
50032820	27	ChEMBL_701641 (CHEMBL1656533)	Inhibition of JAK3 by Caliper mobility shift assay
50032820	28	ChEMBL_701642 (CHEMBL1656534)	Inhibition of PDK1 by Caliper mobility shift assay
50032820	29	ChEMBL_701643 (CHEMBL1656535)	Inhibition of PKAalpha by Caliper mobility shift assay
50032820	30	ChEMBL_701645 (CHEMBL1656537)	Inhibition of PKN1 by Caliper mobility shift assay
50032820	31	ChEMBL_701646 (CHEMBL1656538)	Inhibition of PKN2 by Caliper mobility shift assay
50032820	33	ChEMBL_701649 (CHEMBL1656541)	Inhibition of p38alpha by Caliper mobility shift assay
50032822	1	ChEMBL_701785 (CHEMBL1656922)	Inhibition of maltase in mouse intestinal input by glucose release assay
50032822	2	ChEMBL_701784 (CHEMBL1656921)	Inhibition of lactase in mouse intestinal input by glucose release assay
50032822	3	ChEMBL_701783 (CHEMBL1656920)	Inhibition of sucrase in mouse intestinal input by glucose release assay
50032822	4	ChEMBL_701782 (CHEMBL1656919)	Inhibition of recombinant GBA2 preincubated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay
50032822	5	ChEMBL_701781 (CHEMBL1656918)	Inhibition of recombinant GBA1 preincubated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay
50032822	6	ChEMBL_701780 (CHEMBL1656917)	Inhibition of glucosylceramide synthase in mouse RAW cells preincubated with compound for 15 mins by in-situ enzyme inhibition assay
50035716	14	ChEMBL_33999 (CHEMBL643628)	Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes
50035716	13	ChEMBL_1927 (CHEMBL616981)	Inhibition of [3H]spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes
50035716	15	ChEMBL_62005 (CHEMBL670188)	In vitro inhibition of [3H]dopamine uptake in rat brain synaptosomes
50035716	16	ChEMBL_61596 (CHEMBL675920)	Inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat striatal membranes
50035716	17	ChEMBL_201649 (CHEMBL806550)	In vitro inhibition of [3H]5-HT transporter uptake in rat brain synaptosomes
50035716	12	ChEMBL_142952 (CHEMBL750804)	In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes
50048770	1	ChEMBL_42755 (CHEMBL653726)	Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscle
50032824	1	ChEMBL_701953 (CHEMBL1657525)	Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
50032824	2	ChEMBL_701954 (CHEMBL1657526)	Displacement of [33P]S1P from human S1P3R expressed in CHO cell membranes
50032824	3	ChEMBL_701955 (CHEMBL1657527)	Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50032824	4	ChEMBL_701956 (CHEMBL1657528)	Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay
50032824	5	ChEMBL_701957 (CHEMBL1657529)	Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
50032824	6	ChEMBL_701983 (CHEMBL1657555)	Inhibition of human ERG by patch-clamp method
50032825	1	ChEMBL_702109 (CHEMBL1655339)	Agonist activity at human LH receptor expressed in CHO-K1 cells assessed as stimulation of luciferase activity by CRE-driven luciferase reporter gene assay
50032825	2	ChEMBL_702111 (CHEMBL1655341)	Agonist activity at human FSHR receptor expressed in CHO-K1 cells assessed as stimulation of luciferase activity by CRE-driven luciferase reporter gene assay
50032825	3	ChEMBL_702111 (CHEMBL1655341)	Agonist activity at human FSHR receptor expressed in CHO-K1 cells assessed as stimulation of luciferase activity by CRE-driven luciferase reporter gene assay
50035719	2	ChEMBL_153332 (CHEMBL760484)	Inhibitory activity against purine nucleoside phosphorylase (PNPase )
50048771	1	ChEBML_54731	Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase
50032827	1	ChEMBL_702131 (CHEMBL1655468)	Inhibition of human recombinant MMP1 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry
50032827	2	ChEMBL_702132 (CHEMBL1655469)	Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry
50032827	3	ChEMBL_702133 (CHEMBL1655470)	Inhibition of human recombinant MMP3 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry
50032827	4	ChEMBL_702134 (CHEMBL1655471)	Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry
50032828	1	ChEMBL_702153 (CHEMBL1655490)	Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay
50032828	2	ChEMBL_702151 (CHEMBL1655488)	Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
50032828	3	ChEMBL_702156 (CHEMBL1655493)	Agonist activity at human S1P5R expressed in CHO cells by Ca(2+) mobilization assay
50032829	1	ChEMBL_703757 (CHEMBL1657725)	Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14
50032829	2	ChEMBL_703758 (CHEMBL1657726)	Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16
50032829	3	ChEMBL_703759 (CHEMBL1657727)	Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18
50032831	1	ChEMBL_703732 (CHEMBL1657700)	Inhibition of Pseudomonas aeruginosa PAO1 nagZ gene after 1.5 hrs by fluorescence spectrophotometry
50032832	1	ChEMBL_704867 (CHEMBL1660781)	Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53
50032834	1	ChEMBL_710535 (CHEMBL1653942)	Inhibition of human cytochrome P450 3A4
50032834	2	ChEMBL_710536 (CHEMBL1653943)	Inhibition of human cytochrome P450 2D6
50032834	3	ChEMBL_710537 (CHEMBL1653944)	Inhibition of human cytochrome P450 2C9
50032834	4	ChEMBL_710538 (CHEMBL1653945)	Inhibition of human cytochrome P450 2C19
50032834	5	ChEMBL_710539 (CHEMBL1653946)	Inhibition of human cytochrome P450 1A2
50048771	2	ChEMBL_54731 (CHEMBL668771)	Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase
50032835	1	ChEMBL_709399 (CHEMBL1667298)	Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by fluorometric assay
50032835	2	ChEMBL_709400 (CHEMBL1667299)	Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by fluorometric assay
50032835	3	ChEMBL_709401 (CHEMBL1667300)	Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by fluorometric assay
50032835	4	ChEMBL_709403 (CHEMBL1667302)	Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by fluorometric assay
50032835	5	ChEMBL_709404 (CHEMBL1667303)	Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis-Menten equation analysis
50032835	6	ChEMBL_709405 (CHEMBL1665839)	Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis
50032835	7	ChEMBL_709406 (CHEMBL1665840)	Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis-Menten equation analysis
50032835	8	ChEMBL_709408 (CHEMBL1665842)	Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis
50032835	9	ChEMBL_709669 (CHEMBL1652974)	Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase isolated from virus-infected BALB/c mouse by fluorometric assay
50032835	10	ChEMBL_709671 (CHEMBL1652976)	Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase isolated from virus-infected BALB/c mouse by fluorometric assay
50032835	11	ChEMBL_709673 (CHEMBL1652978)	Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase isolated from virus-infected BALB/c mouse by fluorometric assay
50048772	1	ChEMBL_104816 (CHEMBL709852)	Inhibition constant of Met varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells
50048772	2	ChEMBL_104812 (CHEMBL709696)	Inhibition constant of ATP varied compound was measured on M-2 variate methionine adenosyltransferase in rat kidney
50032837	1	ChEMBL_710642 (CHEMBL1654419)	Inhibition of Trypanosoma cruzi trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis
50032837	2	ChEMBL_710644 (CHEMBL1654421)	Inhibition of Trypanosoma cruzi X10/1 trypanothione reductase assessed as inhibition of thionitrobenzoate formation by microplate reader analysis
50032837	3	ChEMBL_706929 (CHEMBL1665375)	Inhibition of human glucocorticoid receptor
50032838	1	ChEMBL_708956 (CHEMBL1665163)	Inhibition of human DNA polymerase alpha by microplate reader analysis
50032838	2	ChEMBL_708957 (CHEMBL1665164)	Inhibition of human DNA polymerase beta by microplate reader analysis
50032838	3	ChEMBL_708958 (CHEMBL1665165)	Inhibition of human DNA polymerase gamma by microplate reader analysis
50032839	1	ChEMBL_708504 (CHEMBL1666318)	Inhibition of Mab 12G5 binding to wild type CXCR4 expressed in HEK293 cells
50032840	1	ChEMBL_708755 (CHEMBL1667225)	Displacement of [125I]IAAP from GFP-tagged Candida albicans CDR1 expressed in Saccharomyces cerevisiae
50032840	2	ChEMBL_708756 (CHEMBL1667226)	Inhibition of GFP-tagged Candida albicans CDR1 expressed in Saccharomyces cerevisiae assessed as inhibition of R6G efflux
50032841	1	ChEMBL_713937 (CHEMBL1660353)	Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay
50032842	1	ChEMBL_715807 (CHEMBL1663882)	Activity of Acinetobacter baumannii ADC-33 beta-lactamase
50032842	2	ChEMBL_715808 (CHEMBL1663883)	Activity of Acinetobacter baumannii ADC-11 beta-lactamase
50032842	3	ChEMBL_715812 (CHEMBL1663887)	Binding affinity to Acinetobacter baumannii ADC-33 beta-lactamase
50032842	4	ChEMBL_715813 (CHEMBL1663888)	Binding affinity to Acinetobacter baumannii ADC-11 beta-lactamase
50048772	3	ChEMBL_104811 (CHEMBL880199)	Inhibition constant of ATP varied compound was measured on M-2 variate Methionine adenosyltransferase in rat kidney
50048772	4	ChEMBL_104814 (CHEMBL709850)	Inhibition constant of Met varied compound was measured on M-2 variant Methionine adenosyltransferase in rat kidney
50048772	5	ChEMBL_104815 (CHEMBL709851)	Inhibition constant of Met varied compound was measured on M-2 variant methionine adenosyltransferase in rat kidney
50048772	6	ChEMBL_104813 (CHEMBL709849)	Inhibition constant of ATP varied compound was measured on MT variant methionine adenosyltransferase in rat ascitic hepatoma cells
50002069	19	ChEMBL_138657 (CHEMBL872439)	Displacement of [3H]quinuclidinyl benzilate(QNB) from Muscarinic acetylcholine receptor in rat brain
50002069	21	ChEMBL_138656 (CHEMBL748800)	Displacement of [3H]quinuclidinyl benzilate (QNB) from Muscarinic acetylcholine receptor in rat brain
50002069	22	ChEMBL_202310 (CHEMBL810771)	Displacement of [3H]-5-HT from serotonin-1 neurotransmitter receptor in rat brain
50002069	26	ChEMBL_33719 (CHEMBL647542)	Displacement of [3H]WB-4101 from alpha-1 adrenergic receptor in rat brain
50002069	25	ChEMBL_33792 (CHEMBL648118)	Displacement of [3H]clonidine from alpha-2 adrenergic receptor in rat brain
50002069	20	ChEMBL_198196 (CHEMBL799124)	Displacement of [3H]5-HT from serotonin-1 neurotransmitter receptor in rat brain
50002069	24	ChEMBL_2158 (CHEMBL617239)	Displacement of [3H]spiroperidol from 5-hydroxytryptamine 2 receptor in rat brain
50002069	23	ChEMBL_1884 (CHEMBL616481)	Binding affinity towards 5-hydroxytryptamine 2 receptor as antagonism of serotonin-induced contractions in rat jugular vein
50002069	18	ChEMBL_92784 (CHEMBL704171)	Displacement of [3H]nitrendipine from L-type [Ca2+] channel of rat brain
50002618	2	ChEMBL_157979 (CHEMBL767506)	In vitro inhibition of Prostaglandin G/H synthase from human polymorphs
50048774	1	ChEMBL_75867 (CHEMBL686626)	50% inhibitory concentration against DNA-gyrase
50048775	1	ChEMBL_34432 (CHEMBL649435)	Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation
50048775	2	ChEMBL_34211 (CHEMBL649228)	Binding affinity for alpha-2 adrenergic receptor by displacement of [3H]clonidine at 10e-6 M from rat brain homogenate preparation
50035725	3	ChEMBL_146515 (CHEMBL754624)	Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand
50035725	4	ChEMBL_148991 (CHEMBL754207)	Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand
50048776	1	ChEMBL_74812 (CHEMBL686995)	Equilibrium dissociation constant muscarinic receptor complex, measured in guinea pig ileum
50048777	1	ChEMBL_89563 (CHEMBL697366)	Inhibition of 5'-(N-ethylcarbamoyl)adenosine-elicited stimulation of adenylate cyclase in human platelet membranes
50032844	1	ChEMBL_714888 (CHEMBL1663834)	Inhibition of NF-kappaB p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chemiluminescence assay
50032845	1	ChEMBL_714889 (CHEMBL1663835)	Inhibition of AChE by Ellman's method
50032846	1	ChEMBL_714912 (CHEMBL1663858)	Inhibition of horse serum BChE after 2 mins by Ellman's reaction
50032847	1	ChEMBL_714921 (CHEMBL1663916)	Binding affinity to human 5HT2B receptor by radioligand displacement assay
50032848	1	ChEMBL_714960 (CHEMBL1663955)	Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting
50032848	2	ChEMBL_714961 (CHEMBL1663956)	Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting
50032848	3	ChEMBL_714958 (CHEMBL1663953)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting
50032849	1	ChEMBL_715139 (CHEMBL1664298)	Inhibition of p38alpha after 1 hr by ELISA
50032850	1	ChEMBL_715420 (CHEMBL1664805)	Inhibition of Aurora A
50032851	1	ChEMBL_715435 (CHEMBL1664820)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus
50032851	2	ChEMBL_715436 (CHEMBL1664821)	Displacement of [3H]citalopram from SERT in rat cerebral cortex by liquid scintillation counting
50002072	2	ChEMBL_33722 (CHEMBL647544)	Ability to inhibit [3H]WB-4101 binding to rat cortical alpha-1-adrenergic receptor
50032854	1	ChEMBL_715587 (CHEMBL1663403)	Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay
50032855	1	ChEMBL_715593 (CHEMBL1663476)	Inhibition of horse serum BChE after 15 mins by Ellman's method
50032855	2	ChEMBL_715592 (CHEMBL1663475)	Inhibition of electric eel AChE after 15 mins by Ellman's method
50032856	1	ChEMBL_714648 (CHEMBL1663326)	Inhibition of human recombinant CK2alpha by radiometric assay
50032856	2	ChEMBL_714649 (CHEMBL1663327)	Inhibition of human recombinant CK2alpha at enzyme-substrate complex by radiometric assay
50032856	3	ChEMBL_714650 (CHEMBL1663328)	Inhibition of human recombinant DAPK3 by radiometric assay
50032856	4	ChEMBL_714651 (CHEMBL1663329)	Inhibition of human recombinant FLT3 by radiometric assay
50032856	5	ChEMBL_714652 (CHEMBL1663330)	Inhibition of human recombinant TBK1 by radiometric assay
50032856	6	ChEMBL_714653 (CHEMBL1663331)	Inhibition of human recombinant CLK3 by radiometric assay
50032856	7	ChEMBL_714654 (CHEMBL1663332)	Inhibition of human recombinant HIPK3 by radiometric assay
50032856	8	ChEMBL_714655 (CHEMBL1663333)	Inhibition of human recombinant PIM1 by radiometric assay
50032856	9	ChEMBL_714656 (CHEMBL1663334)	Inhibition of human recombinant CDK1/Cyclin B by radiometric assay
50032856	10	ChEMBL_714647 (CHEMBL1663325)	Inhibition of PARP1 at 1 uM by chemiluminescence assay
50032856	11	ChEMBL_714646 (CHEMBL1663324)	Inhibition of PARP1 by chemiluminescence assay
50032857	1	ChEMBL_714871 (CHEMBL1663817)	Inhibition of CHK2 by DELFIA assay
50002468	15	ChEMBL_154013 (CHEMBL759134)	Inhibition of porcine pepsin at pH 4.0 (time-dependent inhibition, T1/2>30 s)
50002468	17	ChEMBL_195936 (CHEMBL801662)	Inhibition of human renin at pH 6.0
50002468	18	ChEMBL_153984 (CHEMBL762335)	Inhibition of porcine pepsin at pH 2.0
50048778	1	ChEMBL_60011 (CHEMBL675836)	In vitro affinity to dopamine receptor using [3H]NPAD as radioligand in rat striatal membranes
50048778	2	ChEMBL_60010 (CHEMBL675835)	In vitro affinity to dopamine receptor using [3H]HPD as radioligand in rat striatal membranes
50032858	1	ChEMBL_715069 (CHEMBL1664119)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting
50032858	2	ChEMBL_715068 (CHEMBL1664118)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells by liquid scintillation counting
50032858	3	ChEMBL_715074 (CHEMBL1664180)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting
50032858	4	ChEMBL_715071 (CHEMBL1664177)	Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting
50032859	1	ChEMBL_715155 (CHEMBL1664314)	Inhibition of human DPP4
50032859	2	ChEMBL_715156 (CHEMBL1664315)	Inhibition of human DPP8
50032860	1	ChEMBL_715236 (CHEMBL1664437)	Inhibition of human recombinant MMP2 after 30 mins
50032860	2	ChEMBL_715239 (CHEMBL1664440)	Inhibition of mushroom tyrosinase after 10 mins
50032860	3	ChEMBL_715238 (CHEMBL1664439)	Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay
50032860	4	ChEMBL_715237 (CHEMBL1664438)	Inhibition of recombinant anthrax lethal factor after 30 mins by fluorescence assay
50035726	10	ChEMBL_28527 (CHEMBL640696)	Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding
50032861	3	ChEMBL_715249 (CHEMBL1664450)	Displacement of [3H]E2 from human placental 17beta-HSD2 after 10 mins by fluid scintillation counting
50032861	4	ChEMBL_715315 (CHEMBL1664602)	Inhibition of human CYP1A2
50032861	5	ChEMBL_715318 (CHEMBL1664605)	Inhibition of human CYP2C19
50032861	6	ChEMBL_715319 (CHEMBL1664606)	Inhibition of human CYP2D6
50032861	7	ChEMBL_715320 (CHEMBL1664607)	Inhibition of human CYP3A4
50035727	3	ChEMBL_28548 (CHEMBL640327)	Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor
50032861	8	ChEMBL_715316 (CHEMBL1664603)	Inhibition of human CYP2B6
50032861	9	ChEMBL_715317 (CHEMBL1664604)	Inhibition of human CYP2C9
50048779	1	ChEMBL_139465 (CHEMBL752173)	Binding affinity was measured for Muscarinic acetylcholine receptor
50002658	3	ChEMBL_30568 (CHEMBL649880)	Binding affinity against Adenosine-2 receptor with [3H]-NECA in rat striatal membranes.
50002659	2	ChEMBL_30536 (CHEMBL643183)	Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum
50032862	5	ChEMBL_715333 (CHEMBL1664620)	Inhibition of human recombinant PDE4B-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay
50048780	1	ChEMBL_34582 (CHEMBL645392)	Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosin
50048780	2	ChEMBL_34231 (CHEMBL648725)	Binding affinity towards alpha-2 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]clonidine
50048781	1	ChEMBL_34573 (CHEMBL649337)	Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosin
50032863	1	ChEMBL_715337 (CHEMBL1664624)	Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP
50032863	2	ChEMBL_715350 (CHEMBL1664679)	Inhibition of PTP1B
50032863	3	ChEMBL_715351 (CHEMBL1664680)	Inhibition of Shp1
50032863	4	ChEMBL_715352 (CHEMBL1664681)	Inhibition of CD45
50032863	5	ChEMBL_715353 (CHEMBL1664682)	Inhibition of HePTP
50032863	6	ChEMBL_715354 (CHEMBL1664683)	Inhibition of LAR
50048781	2	ChEMBL_34225 (CHEMBL648719)	Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]clonidine
50035734	5	ChEMBL_60556 (CHEMBL670666)	Affinity constant of compound was evaluated in human brain
50048782	1	ChEMBL_32542 (CHEMBL646576)	Inhibition of saturable binding of [3H]prazosin to alpha-1 adrenergic receptor in rat cerebral cortical membranes.
50048782	2	ChEMBL_218083 (CHEMBL822530)	Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.
50048782	3	ChEMBL_218071 (CHEMBL822104)	Inhibition of saturable binding of [3H]prazosin to alpha1-site in rat cerebral cortical membranes.
50048782	4	ChEMBL_32543 (CHEMBL646577)	Inhibition of saturable binding of [3H]prazosin to alpha-1 adrenergic receptor site in rat cerebral cortical membranes.
50048782	5	ChEMBL_221952 (CHEMBL843517)	Inhibition of saturable binding of [3H]prazosin to alpha-1 adrenergic receptor site in rat cerebral cortical membranes.
50048783	1	ChEMBL_49393 (CHEMBL873201)	Potency in displacing [3H]propionyl-Cholecystokinin from mouse brain membranes.
50042194	1	ChEMBL_1501 (CHEMBL616333)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [3H]8-OH-DPAT as a radioligand
50042194	12	ChEMBL_32770 (CHEMBL643715)	Binding affinity against alpha-2 adrenergic receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	8	ChEMBL_2176 (CHEMBL617250)	Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex
50035737	2	ChEMBL_851 (CHEMBL615907)	In vitro Inhibitory activity tested at 5-hydroxytryptamine 1A receptor binding site in rat
50035738	4	ChEMBL_209978 (CHEMBL820633)	Inhibitory effect on murine leukemia (L1210) thymidylate synthase
50035738	5	ChEMBL_209138 (CHEMBL879100)	Inhibitory effect on Lactobacillus casei thymidylate synthase
50035738	6	ChEMBL_209777 (CHEMBL815567)	Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase
50032870	1	ChEMBL_717437 (CHEMBL1670336)	Binding affinity to angiotensin AT1 receptor
50032870	2	ChEMBL_717452 (CHEMBL1670351)	Antagonist activity at angiotensin AT1 receptor in rabbit adrenal cortex assessed as inhibition of angiotensin 2-induced contractile response
50032870	3	ChEMBL_717329 (CHEMBL1669998)	Antagonist activity at angiotensin AT1 receptor
50032870	4	ChEMBL_717449 (CHEMBL1670348)	Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin AT1 receptor in rabbit aortic membranes
50032870	5	ChEMBL_717328 (CHEMBL1669997)	Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes
50032870	6	ChEMBL_717461 (CHEMBL1670666)	Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in bovine adrenal cortical membranes
50032870	7	ChEMBL_717451 (CHEMBL1670350)	Antagonist activity at angiotensin AT1 receptor in rabbit aortic strip assessed as inhibition of angiotensin 2-induced contractile response
50032870	8	ChEMBL_717424 (CHEMBL1670323)	Displacement of radiolabeled angiotensin 2 from angiotensin AT1 receptor in bovine adrenal cortex membranes
50032870	9	ChEMBL_717466 (CHEMBL1670671)	Binding affinity to angiotensin AT2 receptor
50032870	10	ChEMBL_717439 (CHEMBL1670338)	Binding affinity to angiotensin AT1 receptor in rabbit aortic rings
50032870	11	ChEMBL_717323 (CHEMBL1669992)	Antagonist activity at angiotensin AT1 receptor in rabbit aorta
50032870	12	ChEMBL_717480 (CHEMBL1670685)	Binding affinity to angiotensin AT1 receptor in guinea pig adrenal cortex membranes
50032870	13	ChEMBL_717412 (CHEMBL1670311)	Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as reduction of angiotensin 2-induced contractile response
50032870	14	ChEMBL_717445 (CHEMBL1670344)	Antagonist activity at angiotensin AT1 receptor in human PLC-PRF5 cells
50032870	15	ChEMBL_717444 (CHEMBL1670343)	Displacement of [3H]-angiotensin 2 from angiotensin AT1 receptor in human PLC-PRF5 cells
50032871	1	ChEMBL_717853 (CHEMBL1670561)	Displacement of [3H]CP 55940 from human CB2 receptor in cell free system
50032871	2	ChEMBL_717852 (CHEMBL1670560)	Displacement of [3H]CP 55940 from human CB1 receptor in cell free system
50002680	2	ChEMBL_217876 (CHEMBL821982)	Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells
50035741	2	ChEMBL_30714 (CHEMBL646481)	Binding affinity at adenosine A2 receptor from rat striatal membranes by [3H]NECA displacement.
50035741	3	ChEMBL_30569 (CHEMBL649881)	Binding affinity at adenosine A2 receptor from rat striatal membranes by [3H]NECA displacement.
50032872	4	ChEMBL_716949 (CHEMBL1670977)	Inhibition of human CYP3A4
50032872	5	ChEMBL_716950 (CHEMBL1670978)	Inhibition of human CYP2C9
50032872	6	ChEMBL_716951 (CHEMBL1670979)	Inhibition of human CYP2C19
50032872	7	ChEMBL_716952 (CHEMBL1670980)	Inhibition of human CYP2D6
50032872	8	ChEMBL_716953 (CHEMBL1670981)	Inhibition of human CYP1A2
50032872	11	ChEMBL_716956 (CHEMBL1670984)	Inhibition of COX-2
50032872	13	ChEMBL_716958 (CHEMBL1670986)	Inhibition of PPAR beta
50032872	15	ChEMBL_716960 (CHEMBL1670988)	Displacement of [3H]PGD2 from DP1 in human platelet membrane
50032872	16	ChEMBL_716961 (CHEMBL1670989)	Displacement of [3H]SQ-29548 from TP receptor in human platelet membrane
50032872	17	ChEMBL_716962 (CHEMBL1670990)	Displacement of [3H]iloprost from IP receptor in human 293 cell membrane
50032873	1	ChEMBL_716988 (CHEMBL1671060)	Inhibition of CYP3A4
50032873	2	ChEMBL_716989 (CHEMBL1671061)	Inhibition of CYP2C19
50032873	3	ChEMBL_716990 (CHEMBL1671062)	Inhibition of CYP1A2
50032874	1	ChEMBL_716996 (CHEMBL1671068)	Inhibition of human soluble epoxide hydrolase
50032874	2	ChEMBL_716997 (CHEMBL1671069)	Inhibition of mouse soluble epoxide hydrolase
50032874	3	ChEMBL_716998 (CHEMBL1671070)	Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET
50032875	1	ChEMBL_717061 (CHEMBL1671179)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells by scintillation counting
50032875	2	ChEMBL_717062 (CHEMBL1671180)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells by scintillation counting in presence of 10% human serum
50032875	3	ChEMBL_717059 (CHEMBL1671177)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay
50032875	4	ChEMBL_717060 (CHEMBL1671178)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as PGE2-induced cAMP accumulation by scintillation proximity assay in presence of 10% human serum
50032875	5	ChEMBL_717063 (CHEMBL1671181)	Antagonist activity at EP4 receptor in human whole blood assessed as blockade of inhibition of TNF-alpha-induced IP10 release
50032876	1	ChEMBL_717095 (CHEMBL1671271)	Inhibition of human COX2
50035741	4	ChEMBL_28995 (CHEMBL643470)	Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.
50032876	3	ChEMBL_717089 (CHEMBL1671265)	Inhibition of COX2
50032877	1	ChEMBL_717230 (CHEMBL1669853)	Binding affinity to alpha7 nAChR
50032877	2	ChEMBL_717231 (CHEMBL1669854)	Binding affinity to beta2 nAChR
50048784	1	ChEMBL_155552 (CHEMBL759850)	Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs
50048784	2	ChEMBL_155556 (CHEMBL760020)	Inhibition of phosphodiesterase fraction III in anesthetized open chest dogs
50035747	2	ChEMBL_195941 (CHEMBL801667)	Inhibitory activity against human plasma renin
50002697	3	ChEMBL_60159 (CHEMBL675706)	Binding affinity against dopamine agonist sites from rat brain corpus striatal preparations using [3H]ADTN
50048785	1	ChEMBL_71295 (CHEMBL684310)	Inhibition constant of compound against binding of Yeast Glyoxalase I
50048785	2	ChEMBL_54735 (CHEMBL667186)	Inhibition constant against binding of Escherichia coli dihydrofolate reductase
50032879	2	ChEMBL_717397 (CHEMBL1670119)	Inhibition of PI3Kalpha after 80 mins
50032880	1	ChEMBL_717678 (CHEMBL1670809)	Inhibition of mouse cathepsin S
50032880	3	ChEMBL_717668 (CHEMBL1670799)	Inhibition of human cathepsin B
50032880	4	ChEMBL_717669 (CHEMBL1670800)	Inhibition of human cathepsin V
50032880	5	ChEMBL_717670 (CHEMBL1670801)	Inhibition of human cathepsin L
50032880	6	ChEMBL_717666 (CHEMBL1670797)	Inhibition of human cathepsin S
50032880	7	ChEMBL_717667 (CHEMBL1670798)	Inhibition of human cathepsin K
50032881	1	ChEMBL_717955 (CHEMBL1671201)	Inhibition of purified His-tagged IKK-beta after 15 mins
50032882	1	ChEMBL_718096 (CHEMBL1671549)	Binding affinity to histamine H1 receptor
50032882	2	ChEMBL_718097 (CHEMBL1671550)	Inhibition of CYP2D6
50032882	3	ChEMBL_718098 (CHEMBL1671551)	Inhibition of CYP3A4
50032883	1	ChEMBL_718115 (CHEMBL1671568)	Inhibition of humanized rabbit cathepsin K
50032884	1	ChEMBL_718121 (CHEMBL1671574)	Inhibition of electric eel AChE by Ellman's method
50032884	2	ChEMBL_718122 (CHEMBL1671575)	Inhibition of equine serum BChE by Ellman's method
50032885	1	ChEMBL_718132 (CHEMBL1671585)	Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis
50032885	2	ChEMBL_718128 (CHEMBL1671581)	Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis
50032885	3	ChEMBL_718129 (CHEMBL1671582)	Inhibition of human plasmatic BChE by Lineweaver-Burk plot analysis
50032885	4	ChEMBL_718131 (CHEMBL1671584)	Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis
50032887	1	ChEMBL_716440 (CHEMBL1670064)	Inhibition of human recombinant IKK2 in human PBMC
50032888	2	ChEMBL_716449 (CHEMBL1670073)	Binding affinity to human galectin-3 by surface plasmon resonance method
50032888	5	ChEMBL_716454 (CHEMBL1670078)	Binding affinity to human galectin-4 component 2 by surface plasmon resonance method
50032889	1	ChEMBL_716463 (CHEMBL1670130)	Antagonist activity at rat TAAR1 assessed as reversal of endogenous beta-PEA effect
50032889	2	ChEMBL_716462 (CHEMBL1670129)	Antagonist activity at mouse TAAR1 assessed as reversal of endogenous beta-PEA effect
50032889	3	ChEMBL_716461 (CHEMBL1670128)	Antagonist activity at human TAAR1 assessed as reversal of endogenous beta-PEA effect
50032889	4	ChEMBL_716460 (CHEMBL1670084)	Inhibition of rat TAAR1
50032889	5	ChEMBL_716459 (CHEMBL1670083)	Inhibition of mouse TAAR1
50032889	6	ChEMBL_716458 (CHEMBL1670082)	Inhibition of human TAAR1
50032890	1	ChEMBL_716548 (CHEMBL1670272)	Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis
50032890	2	ChEMBL_716549 (CHEMBL1670273)	Inhibition of glyoxalase 1
50032891	1	ChEMBL_716555 (CHEMBL1670279)	Inhibition of ERalpha ligand binding domain expressed in HEK293T cells
50032891	2	ChEMBL_716553 (CHEMBL1670277)	Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid assay
50032891	3	ChEMBL_716556 (CHEMBL1670280)	Inhibition of progesterone receptor ligand binding domain expressed in HEK293T cells
50032892	1	ChEMBL_716567 (CHEMBL1670291)	Inhibition of Mycobacterium smegmatis NAT using isoniazed substrate by acetyl-coA hydrolysis assay
50032892	2	ChEMBL_716568 (CHEMBL1670292)	Inhibition of Mycobacterium smegmatis NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay
50032892	3	ChEMBL_716569 (CHEMBL1670293)	Inhibition of Pseudomonas aeruginosa NAT using isoniazed substrate by acetyl-coA hydrolysis assay
50032892	4	ChEMBL_716570 (CHEMBL1670294)	Inhibition of Pseudomonas aeruginosa NAT using 5-aminosalicylate substrate by acetyl-coA hydrolysis assay
50032893	1	ChEMBL_716579 (CHEMBL1670303)	Inhibition of pERK
50032894	1	ChEMBL_716712 (CHEMBL1670537)	Inhibition of CYP3A4
50032894	2	ChEMBL_716613 (CHEMBL1670392)	Inhibition of CYP1A2
50032894	3	ChEMBL_716614 (CHEMBL1670393)	Inhibition of CYP2C9
50032894	4	ChEMBL_716615 (CHEMBL1670394)	Inhibition of CYP2C19
50032894	5	ChEMBL_716616 (CHEMBL1670395)	Inhibition of CYP2D6
50032894	6	ChEMBL_716595 (CHEMBL1670374)	Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay
50032895	1	ChEMBL_716627 (CHEMBL1670406)	Inhibition of human SHP2 by pNPP hydrolysis assay
50032895	2	ChEMBL_716628 (CHEMBL1670407)	Inhibition of human LAR by pNPP hydrolysis assay
50032895	3	ChEMBL_716623 (CHEMBL1670402)	Inhibition of human recombinant PTP1B by pNPP hydrolysis assay
50032895	4	ChEMBL_716624 (CHEMBL1670403)	Inhibition of human CDC25B by pNPP hydrolysis assay
50032895	5	ChEMBL_716625 (CHEMBL1670404)	Inhibition of human TCPTP by pNPP hydrolysis assay
50032895	6	ChEMBL_716626 (CHEMBL1670405)	Inhibition of human SHP1 by pNPP hydrolysis assay
50032896	1	ChEMBL_716690 (CHEMBL1670515)	Inhibition of HDAC1 by fluorescence assay
50032896	2	ChEMBL_716691 (CHEMBL1670516)	Inhibition of HDAC2 by fluorescence assay
50032896	3	ChEMBL_716692 (CHEMBL1670517)	Inhibition of HDAC3 by fluorescence assay
50032896	4	ChEMBL_716693 (CHEMBL1670518)	Inhibition of HDAC4 by fluorescence assay
50032896	5	ChEMBL_716694 (CHEMBL1670519)	Inhibition of HDAC6 by fluorescence assay
50032896	6	ChEMBL_716695 (CHEMBL1670520)	Inhibition of HDAC8 by fluorescence assay
50032897	1	ChEMBL_716715 (CHEMBL1670540)	Inhibition of CYP2C9
50032897	2	ChEMBL_716716 (CHEMBL1670541)	Inhibition of CYP2D6
50032897	3	ChEMBL_716717 (CHEMBL1670542)	Inhibition of CYP3A4
50032897	4	ChEMBL_716713 (CHEMBL1670538)	Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay
50032898	1	ChEMBL_716743 (CHEMBL1670625)	Inhibition of bee venom phospholipase A2 after 5 mins by spectrophotometric analysis
50032899	1	ChEMBL_716749 (CHEMBL1670631)	Inhibition of aldose reductase by spectrophotometric analysis
50032900	1	ChEMBL_716754 (CHEMBL1670636)	Competitive inhibition of mushroom tyrosinase by Lineweaver-Burk plot analysis
50032900	2	ChEMBL_716753 (CHEMBL1670635)	Inhibition of mushroom tyrosinase preincubated for 20 mins
50032901	1	ChEMBL_716784 (CHEMBL1670706)	Displacement of radioligand from human FXR by scintillation proximity assay
50032901	2	ChEMBL_716794 (CHEMBL1670716)	Inhibition of human ERG expressed in CHO cells
50032901	3	ChEMBL_716785 (CHEMBL1670707)	Agonist activity at Gal4-fused human FXR by luciferase reporter gene transactivation assay
50032901	4	ChEMBL_716789 (CHEMBL1670711)	Inhibition of CYP3A4
50032901	5	ChEMBL_716790 (CHEMBL1670712)	Inhibition of CYP2D6
50032901	6	ChEMBL_716791 (CHEMBL1670713)	Inhibition of CYP2C9
50032902	1	ChEMBL_716818 (CHEMBL1670740)	Inhibition of PI3Kalpha-phosphorylation at S473 residue in human BT20 cells
50032902	2	ChEMBL_716816 (CHEMBL1670738)	Inhibition of PI3Kalpha by fluorescene polarization assay
50032902	3	ChEMBL_716817 (CHEMBL1670739)	Inhibition of mTOR
50032903	1	ChEMBL_716824 (CHEMBL1670746)	Inhibition of human Ero1-Lalpha
50032904	1	ChEMBL_716826 (CHEMBL1670748)	Inhibition of human IDO activity by spectrophotometry
50032904	2	ChEMBL_716830 (CHEMBL1670752)	Inhibition of IDO
50032905	1	ChEMBL_716850 (CHEMBL1670772)	Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 mins
50032905	2	ChEMBL_716849 (CHEMBL1670771)	Inhibition of human recombinant VEGFR1 expressed in Sf9 cells after 10 mins
50032905	3	ChEMBL_716846 (CHEMBL1670768)	Inhibition of human recombinant ERK1 expressed in E.coli after 30 mins
50032905	4	ChEMBL_716844 (CHEMBL1670766)	Inhibition of human recombinant PDGFRbeta expressed in insect cells after 30 mins
50032905	5	ChEMBL_716845 (CHEMBL1670767)	Inhibition of human recombinant c-kit kinase in cell free system after 30 mins
50032905	6	ChEMBL_716847 (CHEMBL1670769)	Inhibition of human recombinant ERK5 in cell free system after 90 mins
50032905	7	ChEMBL_716848 (CHEMBL1670770)	Inhibition of human recombinant ERK2 expressed in E.coli after 15 mins
50032905	8	ChEMBL_716843 (CHEMBL1670765)	Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins
50032905	10	ChEMBL_716852 (CHEMBL1670831)	Inhibition of human recombinant GSK3alpha in cell free system after 60 mins
50032905	11	ChEMBL_716853 (CHEMBL1670832)	Inhibition of human recombinant GSK3-beta in cell free system after 90 mins
50032905	12	ChEMBL_716854 (CHEMBL1670833)	Inhibition of human recombinant VEGFR2 expressed in Sf9 cells after 60 mins
50032905	13	ChEMBL_716855 (CHEMBL1670834)	Inhibition of human recombinant MEK1 expressed in insect cells after 20 mins
50032906	1	ChEMBL_716885 (CHEMBL1670864)	Inhibition of human OGT
50032907	1	ChEMBL_716890 (CHEMBL1670869)	Inhibition of electric eel AChE by Ellman's method
50032908	1	ChEMBL_716900 (CHEMBL1670879)	Inhibition of human recombinant cathepsin V expressed in Pichia pastoris
50032908	2	ChEMBL_716901 (CHEMBL1670880)	Inhibition of human recombinant cathepsin V expressed in Pichia pastoris by Lineweaver-Burk double-reciprocal plots
50032909	1	ChEMBL_716902 (CHEMBL1670881)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50032909	2	ChEMBL_716903 (CHEMBL1670882)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50032909	3	ChEMBL_716904 (CHEMBL1670883)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50032909	4	ChEMBL_716905 (CHEMBL1670884)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50032910	1	ChEMBL_716908 (CHEMBL1670936)	Inhibition of human aminopeptidase N by Dixon plot analysis
50032910	2	ChEMBL_716909 (CHEMBL1670937)	Inhibition of bovine lens cytosolic leucine aminopeptidase by Dixon plot analysis
50032910	3	ChEMBL_716910 (CHEMBL1670938)	Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase by Dixon plot analysis
50032911	1	ChEMBL_720700 (CHEMBL1681167)	Binding affinity to purified detergent-solubilized Escherichia coli K-12 multidrug efflux protein YdhE by equilibrium dialysis method
50032911	2	ChEMBL_720702 (CHEMBL1681169)	Binding affinity to Escherichia coli K-12 multidrug efflux protein AcrB at pH 8.4 by equilibrium dialysis method
50032911	3	ChEMBL_720698 (CHEMBL1681165)	Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by fluorescence polarization assay
50032912	1	ChEMBL_720286 (CHEMBL1679152)	Inhibition of peripheral benzodiazepine BZD receptor by radioligand binding assay
50032912	2	ChEMBL_720296 (CHEMBL1679162)	Inhibition of human DNA polymerase alpha
50032912	3	ChEMBL_720297 (CHEMBL1679163)	Inhibition of human DNA polymerase beta
50032912	4	ChEMBL_720298 (CHEMBL1679164)	Inhibition of human DNA polymerase gamma
50032913	1	ChEMBL_721239 (CHEMBL1675116)	Binding affinity to Mycobacterium tuberculosis CYP51
50032913	2	ChEMBL_721240 (CHEMBL1675117)	Binding affinity to Mycobacterium tuberculosis CYP130
50032913	3	ChEMBL_721243 (CHEMBL1675120)	Binding affinity to Mycobacterium tuberculosis CYP121
50032913	4	ChEMBL_721244 (CHEMBL1675121)	Binding affinity to human CYP51
50032914	1	ChEMBL_721461 (CHEMBL1675933)	Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay
50032915	1	ChEMBL_724225 (CHEMBL1677412)	Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate
50032916	1	ChEMBL_724759 (CHEMBL1676999)	Inhibition of human GGPPS
50032917	1	ChEMBL_725038 (CHEMBL1678143)	Inhibition of RNase H activity of HIV-2 reverse transcriptase
50032918	1	ChEMBL_725476 (CHEMBL1677337)	Inhibition of Mycobacterium tuberculosis dihydrofolate reductase
50032919	1	ChEMBL_723554 (CHEMBL1676794)	Inhibition of Pseudomonas aeruginosa beta-lactamase VIM-2 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis
50032919	2	ChEMBL_723551 (CHEMBL1676791)	Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis
50032920	1	ChEMBL_723694 (CHEMBL1677364)	Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay
50032920	2	ChEMBL_723697 (CHEMBL1677367)	Inhibition of human DHFR
50032921	1	ChEMBL_723718 (CHEMBL1677388)	Inhibition of Trypanosoma cruzi Y PDEC after 30 mins
50032922	1	ChEMBL_724287 (CHEMBL1677680)	Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli
50032922	3	ChEMBL_724295 (CHEMBL1677688)	Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant
50032923	1	ChEMBL_723352 (CHEMBL1673549)	Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal
50032923	2	ChEMBL_723353 (CHEMBL1673550)	Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal
50032923	3	ChEMBL_723354 (CHEMBL1673551)	Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal
50032924	1	ChEMBL_724420 (CHEMBL1678071)	Inhibition of mouse recombinant cathepsin E by fluorimetry
50032924	2	ChEMBL_724421 (CHEMBL1678072)	Inhibition of rat hapatic, acyl coA cholesterol acetyltransferase
50032924	3	ChEMBL_724422 (CHEMBL1678073)	Inhibition of human PP2B
50032924	4	ChEMBL_724199 (CHEMBL1677263)	Inhibition of human CatB after 60 mins fluorescence assay
50032924	5	ChEMBL_724198 (CHEMBL1677262)	Inhibition of human leukocyte elastase after 60 mins fluorescence assay
50032925	1	ChEMBL_725150 (CHEMBL1676101)	Inhibition of APT1
50032926	1	ChEMBL_725342 (CHEMBL1676754)	Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109
50032927	1	ChEMBL_725353 (CHEMBL1676765)	Inhibition of [3H]-serotonin reuptake at human SERT expressed in HEK293 cells after 15 to 20 mins by fluorescence neurotransmitter transporter assay
50032928	1	ChEMBL_725379 (CHEMBL1676902)	Inhibition of human Cu-Zn superoxide dismutase assessed as inhibition of NADPH reduction
50032930	1	ChEMBL_725556 (CHEMBL1677638)	Binding affinity to sigma 1 receptor
50032931	1	ChEMBL_725602 (CHEMBL1677785)	Displacement of FAM-Bid from human Mcl-1 after 30 mins by fluorescence polarization assay
50032931	2	ChEMBL_725615 (CHEMBL1677798)	Binding affinity to Bcl-2
50032931	3	ChEMBL_725616 (CHEMBL1677799)	Binding affinity to Mcl-1
50032931	4	ChEMBL_725603 (CHEMBL1677786)	Displacement of FAM-Bid from human Mcl-1 after 30 mins by ELISA
50032931	5	ChEMBL_725604 (CHEMBL1677787)	Displacement of FAM-Bid from human recombinant Bcl-2 after 30 mins by ELISA
50032931	6	ChEMBL_725612 (CHEMBL1677795)	Displacement of FAM-Bid from human Bcl-2 after 30 mins by fluorescence polarization assay
50032932	1	ChEMBL_725617 (CHEMBL1677800)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting
50032932	2	ChEMBL_725618 (CHEMBL1677801)	Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting
50032932	4	ChEMBL_725805 (CHEMBL1678401)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins
50032932	5	ChEMBL_725806 (CHEMBL1678402)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins
50032933	1	ChEMBL_725832 (CHEMBL1678428)	Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells
50032933	2	ChEMBL_725830 (CHEMBL1678426)	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells
50032933	4	ChEMBL_725830 (CHEMBL1678426)	Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells
50048786	1	ChEMBL_1818 (CHEMBL616790)	Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate
50048786	2	ChEMBL_2186 (CHEMBL617012)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat frontal cortex homogenate
50048786	3	ChEMBL_2318 (CHEMBL617525)	Ability to displace 0.75 nM [3H]ketanserin in 5-hydroxytryptamine 2 receptor from rat frontal cortex homogenate
50035751	2	ChEMBL_157968 (CHEMBL767498)	Inhibition of bovine Prostaglandin G/H synthase after oral administration
50032935	1	ChEMBL_726066 (CHEMBL1678662)	Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5
50032935	2	ChEMBL_726067 (CHEMBL1678663)	Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5
50032935	3	ChEMBL_726068 (CHEMBL1678664)	Inhibition of human carbonic anhydrase VA by spectrophotometry at pH 7.5
50032935	4	ChEMBL_726069 (CHEMBL1678665)	Inhibition of human carbonic anhydrase XII by spectrophotometry at pH 7.5
50032936	1	ChEMBL_726091 (CHEMBL1678687)	Agonist activity at human FXR LBD assessed as SRC1 peptide recruitment by FRET assay
50032936	2	ChEMBL_726093 (CHEMBL1678689)	Agonist activity at human FXR LBD iexpressed in monkey CV-1 cells assessed as transactivation of luciferase reporter gene expression
50032936	3	ChEMBL_726119 (CHEMBL1678715)	Inhibition of CYP3A4 in human liver microsome
50032936	4	ChEMBL_726115 (CHEMBL1678711)	Inhibition of CYP1A2 in human liver microsome
50032936	5	ChEMBL_726116 (CHEMBL1678712)	Inhibition of CYP2C9 in human liver microsome
50032936	6	ChEMBL_726117 (CHEMBL1678713)	Inhibition of CYP2C19 in human liver microsome
50032936	7	ChEMBL_726118 (CHEMBL1678714)	Inhibition of CYP2D6 in human liver microsome
50032937	1	ChEMBL_722916 (CHEMBL1674427)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50032937	2	ChEMBL_722917 (CHEMBL1674428)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain
50032938	1	ChEMBL_722948 (CHEMBL1674459)	Displacement of biotin-Ahx-PSpYVNVQN from Grb2-SH2 by competition binding assay
50032939	1	ChEMBL_723169 (CHEMBL1675391)	Displacement of [125I]ET1 from ETA receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting
50032939	2	ChEMBL_723170 (CHEMBL1675392)	Displacement of [125I]ET1 from ETB receptor in CD1 Nu/Nu mouse myocardial ventricles membranes after 2 hrs by gamma counting
50032940	1	ChEMBL_723392 (CHEMBL1676194)	Displacement of [3H]-raclopride from human dopamine D3 receptor low binding affinity site expressed in CHO cells
50032940	2	ChEMBL_723391 (CHEMBL1676193)	Displacement of [3H]-raclopride from human dopamine D3 receptor high binding affinity site expressed in CHO cells
50032941	1	ChEMBL_723415 (CHEMBL1676314)	Inhibition of rat lens ALR2
50048787	1	ChEMBL_66542 (CHEMBL677809)	In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol
50048787	2	ChEMBL_66541 (CHEMBL677808)	In vitro displacement of 3 nM [3H]4-hydroxytamoxifen from estrogen receptor of rat uterine cystol
50048788	1	ChEMBL_42753 (CHEMBL653724)	Inhibition of [3H]nitrendipine binding to L-type calcium channel of guinea pig ileal longitudinal smooth muscle
50048789	1	ChEMBL_775 (CHEMBL615481)	Tested for its binding affinity towards 5-hydroxytryptamine 1 receptor in rat cortical membrane homogenates using radioligand ([3H]5-HT) binding assay.
50048789	2	ChEMBL_1889 (CHEMBL616485)	Binding affinity at 5-hydroxytryptamine 2 receptor from rat frontal cortex homogenates by [3H]-spiperone displacement.
50048789	3	ChEMBL_769 (CHEMBL615871)	Binding affinity towards 5-hydroxytryptamine 1 receptor using [3H]5-HT as a radioligand from rat frontal cortex homogenates
50048789	4	ChEMBL_768 (CHEMBL615870)	Binding affinity towards 5-hydroxytryptamine 1 receptor in rat frontal cortex homogenates using [3H]5-HT as a radioligand
50048790	1	ChEMBL_60013 (CHEMBL675838)	In vitro inhibition of [3H]haloperidol (HPD) binding to dopamine (DA) receptor of rat striatal membranes
50035758	3	ChEMBL_88882 (CHEMBL694785)	Tested for inhibitory activity against IgA1 proteinase assayed in 40% TFE
50048791	1	ChEMBL_53180 (CHEMBL664575)	Inhibition of [3H]nitrendipine binding to calcium channels in the rat brain.
50048792	1	ChEMBL_75870 (CHEMBL687257)	Gyrase inhibitory activity against Escherichia coli
50048793	1	ChEMBL_2161 (CHEMBL875907)	Ability to inhibit binding of titreated spiperone to the 5-hydroxytryptamine 2 receptor in rat brain frontal cortex membranes
50048793	2	ChEMBL_2160 (CHEMBL617241)	Ability to inhibit binding of titreated spiperone to 5-hydroxytryptamine 2 receptor in rat brain frontal cortex membranes
50048793	3	ChEMBL_766 (CHEMBL615868)	Ability to inhibit binding of titreated serotonin to the 5-hydroxytryptamine 1 receptor in rat brain frontal cortex membranes
50035765	3	ChEMBL_164920 (CHEMBL770631)	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine
50035765	4	ChEMBL_164918 (CHEMBL872006)	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5' -monophosphate (dcAMP)
50035767	4	ChEMBL_144760 (CHEMBL752824)	Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP)
50002476	7	ChEMBL_192721 (CHEMBL801749)	In vitro inhibition of marmoset plasma renin
50048794	1	ChEMBL_33904 (CHEMBL645513)	Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion of rat vas deferens
50048795	1	ChEMBL_158106 (CHEMBL762415)	Inhibitory concentration required for inhibition of Prostaglandin G/H synthase
50048796	1	ChEMBL_88803 (CHEMBL699460)	Inhibitory activity against Isoleucyl-tRNA synthetase
50048797	1	ChEMBL_38884 (CHEMBL652715)	Inhibition constant from beta adrenergic receptor binding assay
50048797	2	ChEMBL_39013 (CHEMBL652667)	Inhibition constant obtained from beta adrenergic receptor binding assay
50002107	3	ChEMBL_65914 (CHEMBL677160)	Displacement of [3H]-estradiol from estrogen receptor (ER)
50035770	2	ChEMBL_210133 (CHEMBL812502)	Inhibition of compound against thymidylate synthetase
50035770	5	ChEMBL_72641 (CHEMBL684345)	Inhibition of compound against Guanine-7-methyl transferase
50035774	2	ChEMBL_30724 (CHEMBL648803)	Binding affinity against Adenosine A2 receptor using [3H]NECA with 50 nM CPA in rat striatal brain membranes
50048798	1	ChEMBL_33575 (CHEMBL647126)	Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 10 nM concentration
50048798	2	ChEMBL_33572 (CHEMBL873485)	Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes by [3H]prazosin displacement.
50048798	3	ChEMBL_34290 (CHEMBL647040)	Compound is evaluated for receptor binding affinity using 100 nM concentration on rat cerebral cortical membranes
50048798	4	ChEMBL_33574 (CHEMBL647125)	Displacement of [3H]prazosin binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration
50048798	5	ChEMBL_33573 (CHEMBL648588)	Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 1000 nM concentration
50048798	6	ChEMBL_33689 (CHEMBL873484)	Compound is evaluated for its ability to compete with [3H]prazosin for binding to Alpha-1 adrenergic receptor sites on rat cerebral cortical membranes at 100 nM concentration
50048799	1	ChEMBL_59873 (CHEMBL672999)	Binding affinity against rat striatal membranes using [3H]spiroperidol as the radioligand, after 15 min of incubation in vitro at 37 degree C
50001872	2	ChEMBL_30564 (CHEMBL649876)	Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.
50001713	9	ChEMBL_138658 (CHEMBL748801)	Binding activity against muscarinic acetylcholine receptor in rat brain using [3H]QNB as the radioligand
50001713	8	ChEMBL_138659 (CHEMBL748802)	Binding activity against muscarinic receptor in rat brain using [3H]QNB as the radioligand
50048800	1	ChEMBL_28019 (CHEMBL641218)	In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys
50048800	2	ChEMBL_28503 (CHEMBL645932)	In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals
50048800	3	ChEMBL_28500 (CHEMBL884116)	In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals
50048800	4	ChEMBL_28021 (CHEMBL641220)	In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys
50048800	5	ChEMBL_28499 (CHEMBL645929)	In vitro inhibitory concentration against ACAT derived from rat adrenals
50048800	6	ChEMBL_28501 (CHEMBL645930)	In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys
50048800	7	ChEMBL_28018 (CHEMBL641217)	In vitro inhibitory concentration against ACAT derived from smooth muscle cells from thoracic aorta of monkeys
50048800	8	ChEMBL_28502 (CHEMBL645931)	In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from rat adrenals
50048800	9	ChEMBL_28020 (CHEMBL641219)	In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from smooth muscle cells from thoracic aorta of monkeys
50048801	1	ChEMBL_49419 (CHEMBL658779)	Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes
50048801	2	ChEMBL_49554 (CHEMBL663470)	Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini
50041164	7	ChEMBL_100147 (CHEMBL712504)	In vitro binding affinity towards luteinizing hormone receptor from rat pituitary cells is expressed as negative logarithm of the equilibrium dissociation constant
50041164	6	ChEMBL_100135 (CHEMBL712414)	In vitro binding affinity towards Luteinizing hormone receptor from rat pituitary cells is expressed as negative logarithm of the equilibrium dissociation constant
50035779	5	ChEMBL_138910 (CHEMBL744142)	Inhibitory activity against muscarinic cholinergic receptors in male olac rat brain, using [3H]QNB as the radioligand
50035779	6	ChEMBL_138908 (CHEMBL744140)	Inhibitory activity against Muscarinic acetylcholine receptor in male olac rat brain, using [3H]-QNB as the radioligand
50048802	1	ChEMBL_177580 (CHEMBL783655)	Inhibition of [3H]nitrendipine binding to L-type calcium channels of rat cerebral cortex
50048802	2	ChEMBL_214797 (CHEMBL815533)	Inhibition of [3H]- Nitrendipine binding to L-type calcium channels of rat cerebral cortex
50048803	1	ChEMBL_53640 (CHEMBL666668)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and rabbit IgG (NRG) in experiment 2
50048803	2	ChEMBL_53773 (CHEMBL662031)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG)and IgG1 in experiment 2
50048803	3	ChEMBL_53784 (CHEMBL662041)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 1
50048803	4	ChEMBL_53781 (CHEMBL662039)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and Dal K-20 in experiment 2
50048803	5	ChEMBL_53785 (CHEMBL662042)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 2
50048803	6	ChEMBL_53635 (CHEMBL666664)	Concentration required for inhibition of beef liver dihydrofolate reductase
50048803	7	ChEMBL_53639 (CHEMBL666667)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and rabbit IgG (NRG) in experiment 1
50048803	8	ChEMBL_53644 (CHEMBL666449)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG)and Dal K-20 in experiment 2
50048803	9	ChEMBL_53780 (CHEMBL662038)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and Dal K-20 in experiment 1
50048803	10	ChEMBL_53771 (CHEMBL662029)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 2
50048803	11	ChEMBL_53787 (CHEMBL662044)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG) and rabbit IgG (NRG) in experiment 2
50048803	12	ChEMBL_53776 (CHEMBL662034)	Inhibition of beef liver dihydrofolate reductase by free MTX in experiment 1
50048803	13	ChEMBL_53770 (CHEMBL662028)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG) and rabbit IgG (NRG) in experiment 1
50048803	14	ChEMBL_53641 (CHEMBL666669)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and rabbit IgG (NRG) in experiment 1
50048803	15	ChEMBL_53638 (CHEMBL875755)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and IgG1 in experiment 2
50048803	16	ChEMBL_53774 (CHEMBL662032)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 1
50032951	1	ChEMBL_718429 (CHEMBL1680093)	Antagonist activity at human recombinant GABAA alpha1beta2gamma2L receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode voltage clamp technique
50032951	2	ChEMBL_718425 (CHEMBL1679957)	Antagonist activity at human recombinant GABAb 1b/2 receptor expressed in Xenopus laevis oocytes co-expressing GIRK1/4 assessed as inhibition of GABA-induced current by two electrode voltage clamp technique
50032951	3	ChEMBL_718277 (CHEMBL1679581)	Antagonist activity at human recombinant GABAc rho-2 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode voltage clamp technique
50032951	4	ChEMBL_718201 (CHEMBL1679247)	Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode voltage clamp technique
50048803	17	ChEMBL_53788 (CHEMBL662045)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 1
50048803	18	ChEMBL_53782 (CHEMBL662040)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG) and rabbit IgG (NRG) in experiment 2
50048803	19	ChEMBL_53769 (CHEMBL662027)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (4 M/M of IgG) and rabbit IgG (NRG) in experiment 2
50048803	20	ChEMBL_53643 (CHEMBL666671)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (7 M/M of IgG)and Dal K-20 in experiment 1
50048803	21	ChEMBL_53789 (CHEMBL662046)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 2
50048803	22	ChEMBL_53783 (CHEMBL884335)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (7 M/mL of IgG) and rabbit IgG (NRG) in experiment 1
50048803	23	ChEMBL_53645 (CHEMBL666450)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (4 M/M of IgG) and rabbit IgG (NRG) in experiment 1
50048803	24	ChEMBL_53637 (CHEMBL666666)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (4 M/M of IgG)and IgG1 in experiment 1
50048803	25	ChEMBL_53777 (CHEMBL662035)	Inhibition of beef liver dihydrofolate reductase by free MTX in experiment 2
50048803	26	ChEMBL_53642 (CHEMBL666670)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate (regiospecific coupling) of MTX (6 M/M of IgG)and rabbit IgG (NRG) in experiment 2
50048803	27	ChEMBL_53772 (CHEMBL662030)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (6 M/M of IgG)and IgG1 in experiment 1
50048803	28	ChEMBL_53778 (CHEMBL662036)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (5M/M of IgG) and rabbit IgG (NRG) in experiment 1
50048803	29	ChEMBL_53775 (CHEMBL662033)	Inhibition of beef liver dihydrofolate reductase by amide-linked conjugate of MTX (7 M/M of IgG)and Dal K-20 in experiment 2
50048803	30	ChEMBL_53786 (CHEMBL662043)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate of MTX (7 M/M of IgG) and rabbit IgG (NRG) in experiment 1
50048803	31	ChEMBL_53779 (CHEMBL662037)	Inhibition of beef liver dihydrofolate reductase by hydrazone-linked conjugate (regiospecific coupling) of MTX (5M/M of IgG) and rabbit IgG (NRG) in experiment 2
50035784	2	ChEMBL_34768 (CHEMBL644734)	Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate
50035785	14	ChEMBL_145374 (CHEMBL753142)	The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE
50035785	10	ChEMBL_146600 (CHEMBL752704)	The compound was tested for the ability to displace receptor specific radioligand [3H]DPDPE
50048804	1	ChEMBL_156599 (CHEMBL759681)	Inhibition of Phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 to 1E-3 M
50048804	2	ChEMBL_155831 (CHEMBL768650)	Inhibition of phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 to 1E-3 M
50048804	3	ChEMBL_155832 (CHEMBL768651)	Inhibition of phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 to 1E-3 M
50048804	4	ChEMBL_156598 (CHEMBL759680)	Inhibition of phosphodiesterase 3 from human platelets at 1*10e-7-1*10e-4 M
50048805	1	ChEMBL_155554 (CHEMBL759852)	Inhibition of canine Phosphodiesterase III (PDE 3)
50048805	2	ChEMBL_156016 (CHEMBL764108)	Inhibition of canine Phosphodiesterase 1(PDE 1)
50048805	3	ChEMBL_155553 (CHEMBL759851)	Inhibition of canine Phosphodiesterase III (PDE 3)
50048805	4	ChEMBL_156017 (CHEMBL764109)	Inhibition of canine PDE1
50048806	1	ChEMBL_146288 (CHEMBL881960)	Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl
50048806	2	ChEMBL_147639 (CHEMBL757323)	Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl
50001641	16	ChEMBL_59581 (CHEMBL672932)	Concentration necessary to achieve half maximal inhibition of [3H]spiperone binding dopamine receptor at 1 uM
50001641	13	ChEMBL_1917 (CHEMBL616971)	Concentration necessary to achieve half maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor at 1 uM
50001641	15	ChEMBL_59580 (CHEMBL672931)	Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine receptor at 1 uM
50032953	1	ChEMBL_718452 (CHEMBL1680116)	Inhibition of PI3Kbeta after 15 mins
50032953	2	ChEMBL_718453 (CHEMBL1680117)	Inhibition of PI3Kgamma after 15 mins
50032953	3	ChEMBL_718454 (CHEMBL1680118)	Inhibition of PI3Kdelta after 15 mins
50032953	4	ChEMBL_718455 (CHEMBL1680119)	Inhibition of PI4Kbeta after 15 mins
50032953	5	ChEMBL_718456 (CHEMBL1680120)	Inhibition of mTOR after 15 mins
50032953	6	ChEMBL_718457 (CHEMBL1680121)	Inhibition of VPS34 after 15 mins
50032953	7	ChEMBL_718444 (CHEMBL1680108)	Inhibition of PI3Kalpha after 15 mins
50032953	8	ChEMBL_718445 (CHEMBL1680109)	Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr
50001641	12	ChEMBL_1918 (CHEMBL616972)	Concentration necessary to achieve half maximal inhibition of [3H]ketanserin, binds to 5-hydroxytryptamine 2 receptor at 1 uM
50001641	14	ChEMBL_1916 (CHEMBL616970)	Concentration necessary to achieve half maximal inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2 receptor
50001612	4	ChEMBL_35095 (CHEMBL648487)	Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat
50001759	6	ChEMBL_210160 (CHEMBL813843)	Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 uM
50035792	7	ChEMBL_38886 (CHEMBL652717)	Inhibitory activity against beta adrenergic receptor of rat frontal cortex homogenate using (1.0 nM) [3H]- dihydroalprenolol
50048807	1	ChEMBL_139468 (CHEMBL748176)	Compound was tested for the concentration that inhibited the specific binding of (-)-[3H]-NMS to muscarinic acetylcholine receptor in the rat cerebral cortex.
50048807	2	ChEMBL_139470 (CHEMBL748178)	Compound was tested for the concentration that inhibited the specific binding of (-)-[3H]-NMS to muscarinic receptor in the rat cerebral cortex.
50048807	3	ChEMBL_139469 (CHEMBL748177)	Compound was tested for the concentration that inhibited the specific binding of (-)-[3H]-NMS to muscarinic receptor in the rat cerebral cortex
50048808	1	ChEMBL_72643 (CHEMBL686062)	Inhibitory activity against guanylate cyclase coupled receptor binding site in rabbit lung by using [125I]-ANP-(103-126)
50048809	1	ChEMBL_104794 (CHEMBL713568)	Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when ATP was the variable substrate
50048809	2	ChEMBL_104796 (CHEMBL709683)	Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when ATP was the variable substrate
50048809	3	ChEMBL_104797 (CHEMBL709684)	Compound was tested for inhibition constant with kidney form of M-T variants of Rat methionine adenosyltransferase when Methionine was the variable substrate
50048809	4	ChEMBL_104795 (CHEMBL709682)	Compound was tested for inhibition constant with kidney form of M-2 variants of Rat methionine adenosyltransferase when Methionine was the variable substrate
50048810	1	ChEMBL_36478 (CHEMBL651547)	Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain
50048810	2	ChEMBL_36479 (CHEMBL651548)	Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat uterus
50032955	1	ChEMBL_718490 (CHEMBL1680285)	Inhibition of human ERG
50032955	2	ChEMBL_718487 (CHEMBL1680282)	Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence assay
50032955	3	ChEMBL_718492 (CHEMBL1680287)	Activation of human PXR
50032955	5	ChEMBL_718494 (CHEMBL1680289)	Binding affinity to human ERG
50032955	10	ChEMBL_718885 (CHEMBL1681379)	Inhibition of human NMBR
50032955	11	ChEMBL_718886 (CHEMBL1681380)	Inhibition of human GRPR
50035796	13	ChEMBL_28977 (CHEMBL640779)	Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.
50035796	10	ChEMBL_30864 (CHEMBL646361)	Inhibitory affinity for Adenosine A2 receptor using [3H]N-ethyladenosine-5'-uronamide
50035796	12	ChEMBL_30865 (CHEMBL646362)	Inhibition of [3H]N-ethyladenosine-5'-uronamide binding to Adenosine A2 receptor of rat striatal membrane
50035796	11	ChEMBL_30866 (CHEMBL646363)	Inhibitory affinity for adenosine A2 receptor using [3H]N-ethyladenosine-5'-uronamide
50001700	26	ChEMBL_34454 (CHEMBL651986)	Binding affinity against rat Alpha-1 adrenergic receptor.
50001700	21	ChEMBL_781 (CHEMBL615486)	Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor
50001700	28	ChEMBL_2329 (CHEMBL617536)	Binding affinity at rat 5-hydroxytryptamine 2 receptor by [3H]ketanserin displacement.
50001700	22	ChEMBL_783 (CHEMBL615488)	Binding affinity determined in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor
50001700	20	ChEMBL_2331 (CHEMBL617538)	Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor
50032959	3	ChEMBL_718566 (CHEMBL1680472)	Antagonist activity at mGlu2 receptor
50032959	4	ChEMBL_718567 (CHEMBL1680473)	Antagonist activity at mGlu7 receptor
50032959	5	ChEMBL_718563 (CHEMBL1680469)	Displacement of [3H]ABP688 from human recombinant mGlu5 receptor
50032959	6	ChEMBL_718564 (CHEMBL1680470)	Displacement of [3H]ABP688 from mGlu5 receptor in rat brain tissue
50032960	1	ChEMBL_718598 (CHEMBL1680624)	Antagonist activity at human mineralocorticoid receptor expressed in HEK293 cells assessed as inhibition of R5050-induced transcriptional activity by GRE-driven luciferase reporter gene assay
50032960	2	ChEMBL_718596 (CHEMBL1680622)	Antagonist activity at human progesterone receptor expressed in HEK293 cells assessed as inhibition of R5050-induced transcriptional activity by GRE-driven luciferase reporter gene assay
50032960	3	ChEMBL_718595 (CHEMBL1680621)	Displacement of [3H]methyltrienolone from human glucocorticoid receptor expressed in HEK293 cells
50032960	4	ChEMBL_718594 (CHEMBL1680620)	Displacement of [3H]methyltrienolone from human androgen receptor expressed in HEK293 cells
50032960	5	ChEMBL_718593 (CHEMBL1680619)	Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells
50032960	6	ChEMBL_718592 (CHEMBL1680618)	Displacement of [3H]methyltrienolone from human progesterone receptor expressed in HEK293 cells
50032961	1	ChEMBL_718611 (CHEMBL1680637)	Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay
50032961	2	ChEMBL_718609 (CHEMBL1680635)	Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
50032961	3	ChEMBL_718956 (CHEMBL1681578)	Inhibition of human ERG by electrophysiology assay
50001700	24	ChEMBL_785 (CHEMBL615389)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor
50001700	25	ChEMBL_2335 (CHEMBL617542)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 2 receptor
50001700	23	ChEMBL_784 (CHEMBL615489)	Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor
50001700	27	ChEMBL_34453 (CHEMBL651985)	Binding affinity in radioreceptor binding against Alpha-1 adrenergic receptor
50048811	1	ChEMBL_139726 (CHEMBL744382)	Displacement of [3H]N-methylscopolamine from rat brain homogenate
50048811	2	ChEMBL_138640 (CHEMBL749271)	Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice
50048811	3	ChEMBL_147500 (CHEMBL754396)	Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to opioid receptor mice
50048811	4	ChEMBL_59723 (CHEMBL672965)	Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to Dopamine receptor of mice
50048812	1	ChEMBL_215184 (CHEMBL823116)	Apparent binding constant against multiple binding sites
50048813	1	ChEMBL_158420 (CHEMBL764041)	Inhibitory activity against Prostaglandin G/H synthase in an in vitro rat neutrophil assay
50032964	1	ChEMBL_719024 (CHEMBL1679086)	Inhibition of CYP1A2 in human liver microsomes
50032964	2	ChEMBL_719025 (CHEMBL1679087)	Inhibition of CYP2C9 in human liver microsomes
50032964	3	ChEMBL_719027 (CHEMBL1679089)	Inhibition of CYP2D6 in human liver microsomes
50032964	4	ChEMBL_719028 (CHEMBL1679090)	Inhibition of CYP3A4 in human liver microsomes
50032964	5	ChEMBL_719026 (CHEMBL1679088)	Inhibition of CYP2C19 in human liver microsomes
50032964	8	ChEMBL_719009 (CHEMBL1679071)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay
50032964	9	ChEMBL_719010 (CHEMBL1679072)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay
50032964	10	ChEMBL_719012 (CHEMBL1679074)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay
50032964	11	ChEMBL_719013 (CHEMBL1679075)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay
50032965	1	ChEMBL_718326 (CHEMBL1679746)	Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay
50032965	2	ChEMBL_718327 (CHEMBL1679747)	Binding affinity to progesterone receptor
50032965	3	ChEMBL_718320 (CHEMBL1679740)	Agonist activity at androgen receptor expressed in mouse C2C12 cells assessed as osteoblast differentiation after 5 days
50048814	2	ChEBML_146301	In vitro affinity to displace [3H]naloxone from opioid receptor in freshly prepared rat brain homogenates
50032966	2	ChEMBL_718725 (CHEMBL1680944)	Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50032966	3	ChEMBL_718741 (CHEMBL1680960)	Inhibition of human CYP3A4
50032966	4	ChEMBL_718740 (CHEMBL1680959)	Inhibition of human CYP2D6
50032966	5	ChEMBL_718739 (CHEMBL1680958)	Inhibition of human CYP2C9
50032966	6	ChEMBL_718738 (CHEMBL1680957)	Inhibition of human CYP1A2
50032966	7	ChEMBL_718716 (CHEMBL1680935)	Agonist activity at rat GPR109a
50032966	8	ChEMBL_718717 (CHEMBL1680936)	Agonist activity at mouse GPR109a
50032967	1	ChEMBL_718745 (CHEMBL1680964)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50032968	1	ChEMBL_718756 (CHEMBL1681054)	Inhibition of Actinomadura R39 PBP after 60 mins
50032969	1	ChEMBL_718763 (CHEMBL1681061)	Inhibition of CYP2D6
50032969	2	ChEMBL_718762 (CHEMBL1681060)	Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay
50032970	1	ChEMBL_718780 (CHEMBL1681078)	Inhibition of aromatase in human JEG-3 cells using [1beta-3H]androstenedione after 1 hr by scintillation spectrometry
50032970	2	ChEMBL_718781 (CHEMBL1681079)	Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometry
50048814	1	ChEBML_147659	In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates
50035804	2	ChEMBL_195953 (CHEMBL806848)	Inhibitory activity against purified human renal renin at pH 6.0
50035805	17	ChEMBL_98523 (CHEMBL706543)	Competitive inhibition of leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	11	ChEMBL_35484 (CHEMBL644595)	Inhibition of aminopeptidase M or membrane leucine aminopeptidase
50035805	22	ChEMBL_152341 (CHEMBL758722)	Inhibition of porcine pancreatic elastase
50048815	1	ChEMBL_33902 (CHEMBL645511)	Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation
50048815	2	ChEMBL_33835 (CHEMBL646864)	Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation
50048815	3	ChEMBL_33178 (CHEMBL642052)	In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens
50048815	4	ChEMBL_33906 (CHEMBL645515)	Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation
50032973	1	ChEMBL_726319 (CHEMBL1687307)	Inhibition of CETP
50032974	1	ChEMBL_726330 (CHEMBL1687318)	Inhibition of mouse recombinant SH2 domain of His-tagged full-length STAT3 by surface plasmon resonance assay
50032974	2	ChEMBL_726327 (CHEMBL1687315)	Inhibition of STAT3 dimerization in mouse NIH3T3 cells expressing v-Src assessed as disruption of STAT3-STAT3: DNA complexation in nucleus after 30 mins by electrophoretic mobility shift assay
50032974	3	ChEMBL_726325 (CHEMBL1687313)	Displacement of 5-carboxyfluorescein-GpYDKPHVL-NH2 from mouse recombinant His-tagged STAT1-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50032974	4	ChEMBL_726326 (CHEMBL1687314)	Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50032975	1	ChEMBL_726362 (CHEMBL1687494)	Antagonist activity at human CXCR3
50032975	2	ChEMBL_726359 (CHEMBL1687491)	Antagonist activity at mouse CXCR3
50032975	3	ChEMBL_726360 (CHEMBL1687492)	Antagonist activity at rat CXCR3
50032975	4	ChEMBL_726356 (CHEMBL1687488)	Inhibition of CYP2D6
50032975	5	ChEMBL_726357 (CHEMBL1687489)	Inhibition of CYP3A4
50032975	6	ChEMBL_726358 (CHEMBL1687490)	Inhibition of CYP2C19
50032975	7	ChEMBL_726361 (CHEMBL1687493)	Inhibition of human CXCR3 by chemotaxis assay
50032976	1	ChEMBL_726366 (CHEMBL1687498)	Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells
50032976	2	ChEMBL_726365 (CHEMBL1687497)	Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells
50048815	5	ChEMBL_33836 (CHEMBL647467)	Alpha-1-adrenolytic activity was assessed in vitro from the ability to inhibit clonidine binding to rat aorta preparation
50048815	6	ChEMBL_33903 (CHEMBL645512)	Alpha-2 adrenergic receptor activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation
50032977	2	ChEMBL_726381 (CHEMBL1687513)	Inhibition of AKR1C2 by fluorimetric method
50032978	1	ChEMBL_726383 (CHEMBL1687515)	Displacement of [125I]NDP-alpha-MSH from human MC1 receptor expressed in BHK cells
50032978	3	ChEMBL_726385 (CHEMBL1687623)	Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in BHK cells
50032978	8	ChEMBL_726392 (CHEMBL1687630)	Agonist activity at human MC5 receptor expressed in BHK cells assessed as stimulation of agonist-induced cAMP accumulation
50032979	1	ChEMBL_726483 (CHEMBL1685250)	Agonist activity at beta1 adrenoceptor in rat left atria assessed as induction of ionotropic effect
50032979	2	ChEMBL_726482 (CHEMBL1685249)	Agonist activity at beta2 adrenoceptor in guinea pig tracheal rings assessed as vasorelaxation
50048815	7	ChEMBL_33177 (CHEMBL642051)	Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens
50001664	18	ChEMBL_216502 (CHEMBL819312)	Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE.
50001664	13	ChEMBL_216500 (CHEMBL819310)	Inhibitory activity against cAMP phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP in the presence of calcium (10 uM) and calmodulin (15 nM); Compound is insignificant.
50001664	14	ChEMBL_216501 (CHEMBL819311)	Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cAMP for cAMP-PDE.
50001664	15	ChEMBL_43469 (CHEMBL659371)	Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP in the presence of calcium (10 uM) and calmodulin (15 nM)
50032980	2	ChEMBL_726507 (CHEMBL1685402)	Inhibition of EGFR after 1 hr
50001664	16	ChEMBL_43470 (CHEMBL659372)	Inhibition of phosphodiesterase from bovine aorta with 1 uM cGMP calcium (10 uM) and calmodulin (15 nM) (insignificant)
50032980	4	ChEMBL_726511 (CHEMBL1685406)	Inhibition of Pak4 after 1 hr using biotinylated L15 peptide as substrate
50032980	5	ChEMBL_726512 (CHEMBL1685407)	Inhibition of Pim1 after 1 hr using biotinylated AL1peptide as substrate
50001664	19	ChEMBL_216503 (CHEMBL819313)	Inhibition of cAMP-PDE phosphodiesterase from bovine aorta using 1 uM cAMP (insignificant)
50032980	6	ChEMBL_726509 (CHEMBL1685404)	Inhibition of JAK2 after 1 hr using biotinylated PDKtide as substrate
50032980	7	ChEMBL_726510 (CHEMBL1685405)	Inhibition of KDR after 1 hr
50032980	8	ChEMBL_726508 (CHEMBL1685403)	Inhibition of GSK3-beta after 1 hr
50032981	1	ChEMBL_726515 (CHEMBL1685410)	Inhibition of JAK3 after 60 mins
50032981	2	ChEMBL_726514 (CHEMBL1685409)	Inhibition of JAK2 after 60 mins
50032982	1	ChEMBL_726519 (CHEMBL1685414)	Inhibition of pig pancreatic lipase assessed as p-NPB hydrolysis by ELISA
50032983	2	ChEMBL_726535 (CHEMBL1685430)	Inhibition of EGFR
50032983	3	ChEMBL_726536 (CHEMBL1685431)	Inhibition of GSK3-beta
50032983	4	ChEMBL_726537 (CHEMBL1685432)	Inhibition of JAK2
50032983	5	ChEMBL_726538 (CHEMBL1685433)	Inhibition of KDR
50032983	6	ChEMBL_726539 (CHEMBL1685434)	Inhibition of Pak4
50032983	7	ChEMBL_726540 (CHEMBL1685435)	Inhibition of Pim1
50001664	17	ChEMBL_43471 (CHEMBL659373)	Inhibition of phosphodiesterase from bovine aorta with 1 uM cGMP calcium (10 uM) and calmodulin (15 nM) (insignificant)
50048816	1	ChEMBL_156766 (CHEMBL762140)	Inhibition of sarcoplasmic reticulum Phosphodiesterase 4
50048816	2	ChEMBL_156771 (CHEMBL762145)	Displacement [3H]LY-186,126 from phosphodiesterase 4 of myocardial vesicles
50048816	3	ChEMBL_156769 (CHEMBL762143)	Binding affinity for sarcoplasmic reticulum phosphodiesterase 4 of canine ventricle
50048816	4	ChEMBL_156770 (CHEMBL762144)	Binding affinity for Phosphodiesterase 4 of canine myocardial vesicles
50001807	4	ChEMBL_144458 (CHEMBL755105)	Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-Ala2-Leu-enkephalin as substrate
50001807	5	ChEMBL_35496 (CHEMBL646406)	Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkephalin as substrate
50032984	1	ChEMBL_728263 (CHEMBL1687420)	Inhibition of partially purified human placental beta-glucocerebrosidase after 15 to 60 mins
50032985	1	ChEMBL_728369 (CHEMBL1685145)	Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells
50032985	2	ChEMBL_728370 (CHEMBL1685146)	Displacement of [125I]SP from human cloned NK1 receptor
50032985	3	ChEMBL_728371 (CHEMBL1685147)	Displacement of [125I]NKA from human cloned NK2 receptor
50032986	1	ChEMBL_728384 (CHEMBL1685160)	Inhibition of thrombin
50032987	1	ChEMBL_728395 (CHEMBL1685171)	Inhibition of thrombin
50032988	1	ChEMBL_728398 (CHEMBL1685174)	Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay
50032989	1	ChEMBL_728411 (CHEMBL1685187)	Inhibition of human GSK3-beta expressed in CHO AA8 cells co-expressing human tau protein after 2 hrs
50032989	2	ChEMBL_728405 (CHEMBL1685181)	Inhibition of human recombinant GSK3-beta expressed in baculovirus infected SF9 cells after 60 mins
50032989	3	ChEMBL_728406 (CHEMBL1685182)	Inhibition of CLK1
50032990	1	ChEMBL_728419 (CHEMBL1685195)	Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling
50032990	2	ChEMBL_728420 (CHEMBL1685196)	Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting
50032991	1	ChEMBL_728438 (CHEMBL1685315)	Inhibition of CYP3A4
50032991	2	ChEMBL_728439 (CHEMBL1685316)	Inhibition of CYP3A4 in human liver microsome measured after 30 mins preincubation in presence of NADPH
50032992	1	ChEMBL_728640 (CHEMBL1685770)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels
50032992	2	ChEMBL_728639 (CHEMBL1685769)	Agonist activity at human S1P2 receptor expressed in CHO cells assessed as intracellular calcium levels
50032992	3	ChEMBL_728638 (CHEMBL1685768)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
50032992	4	ChEMBL_728641 (CHEMBL1685771)	Agonist activity at human S1P5 receptor expressed in CHO cells assessed as intracellular calcium levels
50035801	15	ChEMBL_33718 (CHEMBL647541)	Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101
50035801	17	ChEMBL_33717 (CHEMBL647540)	Ability to bind at Alpha-1 adrenergic receptor by displacing [3H]WB-4101
50032993	4	ChEMBL_728647 (CHEMBL1685777)	Displacement of [125I]MCP1 from human CCR2 after 30 mins by gamma counting
50032993	5	ChEMBL_728649 (CHEMBL1685779)	Displacement of labeled MIP-1beta from human CCR5 receptor
50032993	6	ChEMBL_728652 (CHEMBL1685782)	Binding affinity to mouse CCR2
50032993	7	ChEMBL_728653 (CHEMBL1685783)	Binding affinity to rat CCR2
50032993	8	ChEMBL_728656 (CHEMBL1685786)	Binding affinity to mouse CCR5
50032993	9	ChEMBL_728658 (CHEMBL1685788)	Inhibition of human CYP3A4
50032993	10	ChEMBL_728659 (CHEMBL1685789)	Inhibition of human CYP2D6
50032993	11	ChEMBL_728660 (CHEMBL1685790)	Inhibition of human ERG by patch clamp assay
50035801	16	ChEMBL_33791 (CHEMBL648117)	Ability to bind at alpha-2 adrenergic receptor by displacing [3H]clonidine
50035801	14	ChEMBL_2156 (CHEMBL617237)	Ability to bind at 5-hydroxytryptamine 2 receptor of rat hippocampus by displacing [3H]spiperone
50035801	13	ChEMBL_765 (CHEMBL615867)	Ability to bind at serotonin 5-hydroxytryptamine 1 receptor of rat hippocampus by displacing [3H]5-HT
50048817	1	ChEMBL_139866 (CHEMBL745084)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of central amygdaloid nucleus region of forebrain
50048817	2	ChEMBL_139869 (CHEMBL744311)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of cerebellum, lobe 1 region of hindbrain
50048817	3	ChEMBL_140016 (CHEMBL748649)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of reuniens thalamic nucleus region of midbrain
50048817	4	ChEMBL_139996 (CHEMBL747176)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of lateral amygdaloid nucleus region of forebrain
50048817	5	ChEMBL_139860 (CHEMBL746357)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of ventral subiculum region of forebrain
50048817	6	ChEMBL_140008 (CHEMBL748726)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of pontine nuclei region of hindbrain
50048817	7	ChEMBL_140009 (CHEMBL748727)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of posterior cingulate cortex region of forebrain
50048817	8	ChEMBL_139870 (CHEMBL744312)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of cerebellum, lobe 2 region of hindbrain
50032994	4	ChEMBL_728757 (CHEMBL1686170)	Inhibition of mPGES1
50032994	5	ChEMBL_728755 (CHEMBL1686168)	Inhibition of TX synthase in LPS-stimulated human whole blood assessed as inhibition of TXB2 production
50032995	1	ChEMBL_728799 (CHEMBL1686334)	Binding affinity to Bcl-xL after 2 hrs by fluorescein-labeled Bak-BH3 peptide competition binding assay
50032996	1	ChEMBL_728800 (CHEMBL1686335)	Inhibition of GST-fussed c-SRC after 30 mins
50032997	1	ChEMBL_728824 (CHEMBL1686359)	Inhibition of human CaMK2delta
50032997	2	ChEMBL_728827 (CHEMBL1686362)	Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export
50032997	3	ChEMBL_728808 (CHEMBL1686343)	Inhibition of human PKD1 by TR-FRET assay
50048817	9	ChEMBL_139872 (CHEMBL744314)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of cerebellum, lobe 4 region of hindbrain
50032997	5	ChEMBL_728812 (CHEMBL1686347)	Inhibition of human PKD3
50048817	10	ChEMBL_139877 (CHEMBL744318)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of cuneiform nucleus region of hindbrain
50048817	11	ChEMBL_140013 (CHEMBL748646)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of reticular thalamic nucleus region of midbrain
50048817	12	ChEMBL_140019 (CHEMBL748652)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of substantia nigra region of midbrain
50048817	13	ChEMBL_139875 (CHEMBL873435)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of cerebral cortex layers VI of forebrain
50048817	14	ChEMBL_140007 (CHEMBL872731)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of periaqueductal region of midbrain
50048817	15	ChEMBL_139881 (CHEMBL744469)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of dorsal raphe nucleus region of hindbrain
50032998	2	ChEMBL_728836 (CHEMBL1686371)	Inhibition of recombinant human MMP13 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50032998	4	ChEMBL_726745 (CHEMBL1686219)	Inhibition of human ERG
50048817	16	ChEMBL_139882 (CHEMBL744470)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of dorsal tegmentum region of hindbrain
50032998	5	ChEMBL_726752 (CHEMBL1686226)	Inhibition of TACE assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50048817	17	ChEMBL_139880 (CHEMBL744468)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of dorsal parabrachial nucleus region of hindbrain
50032998	6	ChEMBL_726751 (CHEMBL1686225)	Inhibition of recombinant human MMP2 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50048817	18	ChEMBL_140126 (CHEMBL748369)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of ventral lateral geniculate region of midbrain
50048817	19	ChEMBL_139878 (CHEMBL744466)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of dentate gyrus region of forebrain
50048817	20	ChEMBL_139861 (CHEMBL746358)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of Primary olfactory cortex region of forebrain
50032998	7	ChEMBL_728835 (CHEMBL1686370)	Inhibition of recombinant human MMP1 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs
50048817	21	ChEMBL_139868 (CHEMBL744310)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of central medial thalamic nucleus region of midbrain
50048817	22	ChEMBL_140011 (CHEMBL748729)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of posterior thalamic nucleus region of midbrain
50048817	23	ChEMBL_140005 (CHEMBL748724)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of neostriatum region of forebrain
50048817	24	ChEMBL_140004 (CHEMBL748723)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of medial raphe nucleus region of hindbrain
50048817	25	ChEMBL_139995 (CHEMBL747175)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of inferior coliculus region of hindbrain
50048817	26	ChEMBL_139991 (CHEMBL747171)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of hippocampus CA4 region of forebrain
50048817	27	ChEMBL_139876 (CHEMBL744317)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of cudate nucleus region of forebrain
50048817	28	ChEMBL_139874 (CHEMBL744316)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of cerebral cortex layers IV and V of forebrain
50048817	29	ChEMBL_139864 (CHEMBL745082)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of basolateral amygdaloid nucleus region of forebrain
50032998	8	ChEMBL_726744 (CHEMBL1686218)	Inhibition of CYP3A4
50048817	30	ChEMBL_140020 (CHEMBL748653)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of superior coliculus region of midbrain
50048817	31	ChEMBL_139867 (CHEMBL745085)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of central gray, pons region of hindbrain
50048817	32	ChEMBL_139865 (CHEMBL745083)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of bed nucleus stria terminalis region of midbrain
50048817	33	ChEMBL_139871 (CHEMBL744313)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of cerebellum, lobe 3 region of hindbrain
50048817	34	ChEMBL_140021 (CHEMBL872734)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of superior coliculus, infragranular region of midbrain
50048817	35	ChEMBL_139862 (CHEMBL745080)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of anterior cingulate cortex region of forebrain
50048817	36	ChEMBL_140125 (CHEMBL748368)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of ventral dentate gyrus region of forebrain
50048817	37	ChEMBL_140012 (CHEMBL748645)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of raphe pontis region of hindbrain
50048817	38	ChEMBL_140127 (CHEMBL748370)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of ventral parabrachial nucleus region of hindbrain
50048817	39	ChEMBL_140131 (CHEMBL748374)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of zona inserta region of midbrain
50048817	40	ChEMBL_140017 (CHEMBL748650)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of rhomboid thalamic nucleus region of midbrain
50048817	41	ChEMBL_140130 (CHEMBL748373)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of ventromedial hypothalamus region of midbrain
50032999	1	ChEMBL_726761 (CHEMBL1686235)	Inhibition of human recombinant CA1 cytosolic isoform by stopped-flow CO2 hydration assay
50032999	2	ChEMBL_726762 (CHEMBL1686236)	Inhibition of human recombinant CA2 cytosolic isoform by stopped-flow CO2 hydration assay
50032999	3	ChEMBL_726763 (CHEMBL1686237)	Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assay
50032999	4	ChEMBL_726764 (CHEMBL1686238)	Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay
50033000	1	ChEMBL_726769 (CHEMBL1686243)	Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader
50033000	2	ChEMBL_726770 (CHEMBL1686244)	Inhibition of rat DPP2 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader
50033000	3	ChEMBL_726771 (CHEMBL1686245)	Inhibition of human DPP8 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader
50033000	4	ChEMBL_726772 (CHEMBL1686246)	Inhibition of human DPP9 expressed in african green monkey COS7 cells after 60 mins by fluorescence plate reader
50033000	5	ChEMBL_726773 (CHEMBL1686247)	Inhibition of APN
50033000	6	ChEMBL_726774 (CHEMBL1686248)	Inhibition of POP in rat brain cortex
50033000	7	ChEMBL_726792 (CHEMBL1686392)	Binding affinity to human ERG
50033001	1	ChEMBL_726802 (CHEMBL1686402)	Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption
50033001	2	ChEMBL_726803 (CHEMBL1686403)	Inhibition of human recombinant His-tagged VEGFR2 assessed as infrared absorption by ELISA assay in presence of 20 uM ATP
50033002	1	ChEMBL_726920 (CHEMBL1686709)	Inhibition of mPGES-1 expressed in LPS-stimulated human A549 cells mitochondrial fraction assessed as conversion of PGH2 to PGE2
50033002	2	ChEMBL_726922 (CHEMBL1686711)	Inhibition of 5-lipoxygenase in human PMNL
50033002	3	ChEMBL_726924 (CHEMBL1686713)	Inhibition of human recombinant 5-lipoxygenase
50033003	1	ChEMBL_726927 (CHEMBL1686716)	Inhibition of human recombinant Norepinephrine transporter
50033003	2	ChEMBL_726926 (CHEMBL1686715)	Inhibition of human recombinant serotonin transporter
50033003	3	ChEMBL_726928 (CHEMBL1686717)	Inhibition of human recombinant dopamine transporter
50033004	2	ChEMBL_726948 (CHEMBL1686737)	Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrs
50033004	3	ChEMBL_726949 (CHEMBL1686738)	Agonist activity at human beta2-adrenoceptor expressed in HEK cells assessed as increase of cAMP level after 10 mins by radioimmunoassay
50033005	1	ChEMBL_726950 (CHEMBL1686739)	Agonist activity against human GPR119 receptor expressed in HEK293 cells assessed as beta-lactamase production by cAMP response element assay
50048817	42	ChEMBL_139879 (CHEMBL744467)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of dorsal lateral geniculate region of midbrain
50048817	43	ChEMBL_140002 (CHEMBL748721)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of medial dorsal thalamic nucleus region of midbrain
50033006	1	ChEMBL_726959 (CHEMBL1686748)	Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting
50033006	2	ChEMBL_726960 (CHEMBL1686749)	Inhibition of [3H]norepinephrine reuptake at human recombinant NET expressed in HEK293 cells by scintillation counting
50033006	3	ChEMBL_726961 (CHEMBL1686821)	Inhibition of [3H]dopamine reuptake at human recombinant DAT expressed in COS-7 cells by scintillation counting
50033006	4	ChEMBL_726964 (CHEMBL1686824)	Inhibition of human ERG
50033006	5	ChEMBL_726956 (CHEMBL1686745)	Inhibition of CYP2C19
50033006	6	ChEMBL_726958 (CHEMBL1686747)	Inhibition of CYP2C9
50033006	7	ChEMBL_726955 (CHEMBL1686744)	Inhibition of CYP3A4
50033006	8	ChEMBL_726954 (CHEMBL1686743)	Inhibition of CYP2D6
50033007	1	ChEMBL_726976 (CHEMBL1686836)	Inhibition of MEK1 by IMAP assay
50033008	1	ChEMBL_727146 (CHEMBL1687117)	Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization
50033008	2	ChEMBL_727149 (CHEMBL1687120)	Antagonist activity against mGlu5 receptor assessed as inhibition of calcium mobilization
50048817	44	ChEMBL_139992 (CHEMBL747172)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of hippocampus CA1 region of forebrain
50048817	45	ChEMBL_139998 (CHEMBL747178)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of lateral posterior thalamic nucleus region of mid brain
50048817	46	ChEMBL_140003 (CHEMBL748722)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of medial geniculate region of midbrain
50048817	47	ChEMBL_140001 (CHEMBL748720)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of medial amygdaloid nucleus region of forebrain
50048817	48	ChEMBL_140000 (CHEMBL747180)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of lateral hypothalamus region of midbrain
50048817	49	ChEMBL_139994 (CHEMBL747174)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of hippocampus CA3 region of forebrain
50048817	50	ChEMBL_140128 (CHEMBL748371)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of ventral posterior thalamic nucleus region of brain
50048817	51	ChEMBL_139993 (CHEMBL747173)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of hippocampus CA2 region of forebrain
50048817	52	ChEMBL_139883 (CHEMBL744471)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of dorsomedial hypothalamus region of midbrain
50048817	53	ChEMBL_139863 (CHEMBL745081)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of anterior hypothalamus region of midbrain
50048817	54	ChEMBL_140006 (CHEMBL748725)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of paraventricular thalamic nucleus region of midbrain
50048817	55	ChEMBL_139884 (CHEMBL744472)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of entorhinal cortex region of forebrain
50048817	56	ChEMBL_139873 (CHEMBL744315)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of cerebral cortex layers I-III of forebrain
50048817	57	ChEMBL_139999 (CHEMBL747179)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of lateral septal nucleus of midbrain
50033010	1	ChEMBL_727164 (CHEMBL1687189)	Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage
50033010	2	ChEMBL_727163 (CHEMBL1687134)	Inhibition of mouse PrCP
50033010	3	ChEMBL_727162 (CHEMBL1687133)	Inhibition of human PrCP
50033011	1	ChEMBL_727493 (CHEMBL1685481)	Inhibition of CYP3A4
50033011	2	ChEMBL_727517 (CHEMBL1685627)	Binding affinity to MEK1 by surface plasmon resonance in absence of ATP
50033011	3	ChEMBL_727518 (CHEMBL1685628)	Binding affinity to MEK1 by surface plasmon resonance in presence of ATP
50033012	1	ChEMBL_727521 (CHEMBL1685631)	Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay
50033013	1	ChEMBL_727742 (CHEMBL1686101)	Displacement of [125I]MCP1 from human CCR2 preincubated 1 hrs by human whole cell binding assay
50033013	2	ChEMBL_727746 (CHEMBL1686105)	Displacement of [125I]MCP1 from human CCR2 by human whole cell binding assay
50033013	3	ChEMBL_727753 (CHEMBL1686112)	Displacement of dofetilide from human ERG
50033013	4	ChEMBL_727741 (CHEMBL1686100)	Displacement of [125I]MCP1 from human CCR2 preincubated 30 mins by human whole cell binding assay
50048817	58	ChEMBL_139997 (CHEMBL747177)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of lateral dorsal thalamic nucleus region of midbrain
50048817	59	ChEMBL_140010 (CHEMBL748728)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of posterior hypothalamus region of midbrain
50048817	60	ChEMBL_139990 (CHEMBL747170)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of hippocampus CA3 region of forebrain
50048817	61	ChEMBL_139989 (CHEMBL747169)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of hippocampus CA1 region of forebrain
50048817	62	ChEMBL_140129 (CHEMBL748372)	Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of ventral subiculum region of forebrain
50033014	2	ChEMBL_727755 (CHEMBL1686114)	Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes
50048817	63	ChEMBL_140018 (CHEMBL748651)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of subiculum region of forebrain
50048817	64	ChEMBL_140015 (CHEMBL748648)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of retrosplenial cortex region of forebrain
50033015	1	ChEMBL_727782 (CHEMBL1686265)	Inhibition of human ERG
50033015	3	ChEMBL_727787 (CHEMBL1686270)	Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay
50033015	4	ChEMBL_727805 (CHEMBL1686288)	Inhibition of Cav3.1 alpha1G at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033015	5	ChEMBL_727806 (CHEMBL1686289)	Inhibition of Cav3.2 alpha1H at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033015	7	ChEMBL_727808 (CHEMBL1686291)	Inhibition of P/Q-type Cav2.1 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033015	8	ChEMBL_727809 (CHEMBL1686292)	Inhibition of N-type Cav2.2 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033015	9	ChEMBL_727810 (CHEMBL1686293)	Inhibition of R-type Cav2.3 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay
50033015	10	ChEMBL_727787 (CHEMBL1686270)	Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay
50048817	65	ChEMBL_140014 (CHEMBL748647)	Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of retrospinal cortex region of forebrain
50001588	3	ChEMBL_158272 (CHEMBL762452)	Inhibitory concentration to inhibit Prostaglandin G/H synthase in the rat
50001784	2	ChEMBL_27660 (CHEMBL636849)	Inhibition of active transport of [3H]acetylcholine using purified Torpedo californica synaptic vesicles
50033017	1	ChEMBL_727831 (CHEMBL1686314)	Inhibition of PI3Kalpha
50033017	2	ChEMBL_727840 (CHEMBL1686445)	Inhibition of PI3Kbeta
50033017	3	ChEMBL_727841 (CHEMBL1686446)	Inhibition of PI3Kdelta
50033017	4	ChEMBL_727842 (CHEMBL1686447)	Inhibition of PI3Kgamma
50033017	5	ChEMBL_727843 (CHEMBL1686448)	Inhibition of PI3KC2alpha
50033017	6	ChEMBL_727844 (CHEMBL1686449)	Inhibition of PI3KC2beta
50033017	7	ChEMBL_727845 (CHEMBL1686450)	Inhibition of Vps34
50033017	8	ChEMBL_727846 (CHEMBL1686451)	Inhibition of mTOR
50033018	1	ChEMBL_727922 (CHEMBL1686634)	Inhibition of CSF1R
50033018	2	ChEMBL_727921 (CHEMBL1686633)	Inhibition of VEGFR2
50033018	3	ChEMBL_727923 (CHEMBL1686635)	Inhibition of FLT1
50033018	4	ChEMBL_727924 (CHEMBL1686636)	Inhibition of FLT3
50033018	6	ChEMBL_727926 (CHEMBL1686638)	Inhibition of KIT
50033018	7	ChEMBL_727927 (CHEMBL1686639)	Inhibition of PDGFRalpha
50033018	8	ChEMBL_727928 (CHEMBL1686640)	Inhibition of RET
50033019	2	ChEMBL_727956 (CHEMBL1686754)	Inhibition of human IKK-beta by substrate phosphorylation assay
50033020	1	ChEMBL_727960 (CHEMBL1686758)	Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay
50033020	2	ChEMBL_727961 (CHEMBL1686759)	Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay
50033020	3	ChEMBL_727962 (CHEMBL1686760)	Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay
50033020	4	ChEMBL_727963 (CHEMBL1686761)	Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay
50033020	5	ChEMBL_727964 (CHEMBL1686762)	Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay
50033021	1	ChEMBL_728013 (CHEMBL1686811)	Inhibition of ovine COX-1 by fluorescence assay
50033021	2	ChEMBL_728014 (CHEMBL1686812)	Inhibition of human recombinant COX-2 by fluorescence assay
50033022	1	ChEMBL_728026 (CHEMBL1686897)	Agonist activity at 5-oxo-ETE receptor in human neutrophils assessed as stimulation of ca2+ mobilization
50033023	1	ChEMBL_728028 (CHEMBL1686899)	Inhibition of Staphylococcus aureus enoyl-ACP reductase assessed as increase of NADPH level
50033024	1	ChEMBL_728113 (CHEMBL1687055)	Agonist activity at human GR expressed in NHDF cells assessed as inhibition of IL-6 production by ELISA relative to Dexamethasone
50033024	2	ChEMBL_728111 (CHEMBL1687053)	Agonist activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin transcription by luciferase reporter gene assay relative to Dexamethasone
50033024	3	ChEMBL_728109 (CHEMBL1687051)	Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of luciferase transactivation activity relative to Dexamethasone
50033024	4	ChEMBL_728108 (CHEMBL1687050)	Displacement of radiolabeled Dexamethasone from GR
50033024	5	ChEMBL_728117 (CHEMBL1687059)	Binding affinity to PR
50033024	6	ChEMBL_728118 (CHEMBL1687060)	Binding affinity to MR
50033024	7	ChEMBL_728119 (CHEMBL1687061)	Binding affinity to AR
50033025	1	ChEMBL_728148 (CHEMBL1687149)	Inhibition of factor 10a by S2222 chromogenic substrate assay by chromogenic assay
50048818	1	ChEMBL_215116 (CHEMBL820382)	Displacement of [3H]batrachotoxin A 20alpha-benzoate (BTX-B) from rat cerebral cortex voltage-gated sodium channel
50048819	1	ChEMBL_34057 (CHEMBL643914)	Inhibitory activity against Alpha-2 adrenergic receptor in rat vas deferens
50048820	1	ChEMBL_66410 (CHEMBL677104)	Displacement of [3H]estradiol from estrogen receptor in immature rat
50048820	2	ChEMBL_66403 (CHEMBL677097)	Displacement of [3H]estradiol from estrogen receptor in immature rabbit
50048820	3	ChEMBL_66540 (CHEMBL677807)	Displacement of [3H]-estradiol from estrogen receptor in mature rat
50048820	4	ChEMBL_66378 (CHEMBL673767)	Displacement of [3H]estradiol from estrogen receptor in squirrel monkey
50048820	5	ChEMBL_68148 (CHEMBL680724)	Displacement of [3H]estradiol from estrogen receptor in squirrel monkey
50048820	6	ChEMBL_66539 (CHEMBL677806)	Displacement of [3H]-estradiol from estrogen receptor in immature rat
50048820	7	ChEMBL_66409 (CHEMBL677103)	Displacement of [3H]estradiol from estrogen receptor in immature rabbit
50048820	8	ChEMBL_172928 (CHEMBL779965)	Displacement of [3H]estradiol from estrogen receptor in immature rat
50048820	9	ChEMBL_66411 (CHEMBL677105)	Displacement of [3H]estradiol from estrogen receptor in mature rat
50048820	10	ChEMBL_66852 (CHEMBL680737)	Displacement of [3H]estradiol from estrogen receptor in mature rat
50048821	1	ChEMBL_40036 (CHEMBL653017)	Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue
50048821	2	ChEMBL_49565 (CHEMBL663481)	Half-maximal inhibition of binding of [125I]CCK-8 to Cholecystokinin receptor in rat pancreatic tissue
50033027	1	ChEMBL_728272 (CHEMBL1687429)	Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay
50001827	6	ChEMBL_138843 (CHEMBL753031)	Binding affinity for glandular muscarinic acetylcholine receptor M3 in rat assayed using 0.3 nM [3H]N-methylscopolamine as radioligand
50001596	23	ChEMBL_158275 (CHEMBL881015)	In vitro inhibitory activity against polymorphonuclear leukocyte cyclooxygenase
50001596	26	ChEMBL_4172 (CHEMBL619239)	In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase
50001596	21	ChEMBL_158277 (CHEMBL762455)	In vitro inhibitory activity against rat polymorphonuclear leukocyte Prostaglandin G/H synthase at 100 uM
50001596	22	ChEMBL_158278 (CHEMBL884930)	In vitro inhibitory activity against rat polymorphonuclear leukocyte cyclooxygenase
50001596	2	ChEMBL_224 (CHEMBL615257)	In vitro inhibitory activity against rat platelet 12-lipoxygenase
50001675	8	ChEMBL_70838 (CHEMBL857380)	In vitro activity to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane
50001675	9	ChEMBL_52049 (CHEMBL666435)	Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung
50033028	2	ChEMBL_728291 (CHEMBL1687448)	Inhibition of DPP8
50033028	3	ChEMBL_728289 (CHEMBL1687446)	Inhibition of DPP9
50033028	4	ChEMBL_728290 (CHEMBL1687447)	Inhibition of QPP
50035815	8	ChEMBL_30857 (CHEMBL643729)	Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes
50035815	9	ChEMBL_30859 (CHEMBL643731)	Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to adenosine A2 receptor in rat striatal membranes
50033028	5	ChEMBL_728292 (CHEMBL1687449)	Inhibition of DPP4
50033029	1	ChEMBL_728308 (CHEMBL1687568)	Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presence of [3H]methylated calf thymus DNA
50033031	1	ChEMBL_728315 (CHEMBL1687575)	Inhibition of Escherichia coli K-12 recombinant NAD-dependent malic enzyme by Dixon plot
50033032	1	ChEMBL_728317 (CHEMBL1687577)	Inhibition of KDR assessed as phosphorylation level of substrate by ELISA
50033033	2	ChEMBL_728460 (CHEMBL1685337)	Inhibition of DPP8
50033033	3	ChEMBL_728457 (CHEMBL1685334)	Inhibition of human DPP4
50033033	4	ChEMBL_728473 (CHEMBL1685350)	Inhibition of DPP4 in rat plasma
50033033	5	ChEMBL_728474 (CHEMBL1685351)	Inhibition of DPP2
50033033	6	ChEMBL_728475 (CHEMBL1685352)	Inhibition of DPP3
50033033	7	ChEMBL_728476 (CHEMBL1685353)	Inhibition of DPP9
50033033	9	ChEMBL_728478 (CHEMBL1685355)	Inhibition of POP
50033033	10	ChEMBL_728479 (CHEMBL1685356)	Inhibition of CYP1A2
50033033	11	ChEMBL_728480 (CHEMBL1685357)	Inhibition of CYP2C9
50033033	12	ChEMBL_728481 (CHEMBL1685358)	Inhibition of CYP2D6
50033033	13	ChEMBL_728482 (CHEMBL1685359)	Inhibition of CYP3A4
50033034	1	ChEMBL_728487 (CHEMBL1685364)	Inhibition of rat liver SCD1 using [3H]-stearoylCoA
50033034	2	ChEMBL_728488 (CHEMBL1685365)	Inhibition of human SCD1
50033034	3	ChEMBL_728485 (CHEMBL1685362)	Inhibition of rat liver SCD1 assessed as formation of deuterated oleoylCoA by HTMS assay
50033034	4	ChEMBL_728486 (CHEMBL1685363)	Inhibition of CYP1A2
50033034	5	ChEMBL_728501 (CHEMBL1685378)	Inhibition of CYP2C9
50033034	6	ChEMBL_728502 (CHEMBL1685379)	Inhibition of CYP2D6
50033034	7	ChEMBL_728503 (CHEMBL1685380)	Inhibition of CYP3A4
50033034	8	ChEMBL_728504 (CHEMBL1685381)	Inhibition of CYP2C19
50033034	9	ChEMBL_728505 (CHEMBL1685382)	Inhibition of human ERG by patch clamp assay
50033035	1	ChEMBL_728668 (CHEMBL1685945)	Inhibition of human IMPDH1 by Spectrophotometry
50033035	2	ChEMBL_728666 (CHEMBL1685943)	Inhibition of human IMPDH2 by Spectrophotometer
50001310	1	ChEMBL_54606 (CHEMBL667328)	Inhibitory activity towards Dihydrofolate reductase derived from human manca leukemia cells
50001092	10	ChEMBL_158133 (CHEMBL760765)	Concentration for 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase
50001092	8	ChEMBL_158136 (CHEMBL760768)	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by Prostaglandin G/H synthase
50001092	9	ChEMBL_158135 (CHEMBL760767)	Concentration that produces 50% inhibition of A-23187-stimulated radiolabeled 5-HETE and TXB2 synthesis by PMN (Prostaglandin G/H synthase).
50048826	1	ChEMBL_147513 (CHEMBL754409)	Concentration that produces 50% inhibition of stereospecific [3H]naloxone binding to opioid receptors in rat brain in absence of sodium.
50048826	2	ChEMBL_147635 (CHEMBL753563)	Concentration that produces 50% inhibition of stereospecific [3H]naloxone binding to opioid receptors in rat brain in presence of sodium.
50035828	9	ChEMBL_53732 (CHEMBL663658)	Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase.
50035829	6	ChEMBL_49509 (CHEMBL662804)	Inhibition of human skin fibroblast Collagenase at pH 7.5
50048827	1	ChEMBL_138261 (CHEMBL743978)	Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor
50035831	2	ChEMBL_61592 (CHEMBL675764)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (25% inhibition at 10 e-6 M)
50033037	1	ChEMBL_728707 (CHEMBL1685984)	Inhibition of human recombinant PDE3B
50033037	2	ChEMBL_728708 (CHEMBL1685985)	Inhibition of human recombinant PDE3A
50033038	1	ChEMBL_728729 (CHEMBL1686142)	Inhibition of HER2 by homogeneous time-resolved fluorescence assay
50033038	2	ChEMBL_728730 (CHEMBL1686143)	Inhibition of EGFR by homogeneous time-resolved fluorescence assay
50033039	1	ChEMBL_728735 (CHEMBL1686148)	Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC
50033040	1	ChEMBL_728875 (CHEMBL1686531)	Displacement of [3H]spiperone from dopamine D2 receptor expressed in human HEK293 cells by liquid scintillation counter
50033040	2	ChEMBL_728876 (CHEMBL1686532)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in human HEK293 cells by liquid scintillation counter
50033040	3	ChEMBL_728874 (CHEMBL1686530)	Displacement of [3H]spiperone from dopamine D3 receptor expressed in human HEK293 cells by liquid scintillation counter
50033040	4	ChEMBL_728872 (CHEMBL1686528)	Displacement of [3H]Ketanserin from 5-HT2A receptor expressed in CHO cells by liquid scintillation counter
50033040	5	ChEMBL_728873 (CHEMBL1686529)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells by liquid scintillation counter
50048828	1	ChEMBL_156778 (CHEMBL756942)	Inhibition of canine heart Phosphodiesterase 4
50048828	2	ChEMBL_156768 (CHEMBL762142)	Inhibition of canine kidney Phosphodiesterase 4 at 0.5 uM
50033041	2	ChEMBL_728883 (CHEMBL1686539)	Inhibition of COX2
50048828	3	ChEMBL_156779 (CHEMBL756943)	Inhibition of canine kidney Phosphodiesterase 4
50048828	4	ChEMBL_156767 (CHEMBL762141)	Inhibition of canine heart Phosphodiesterase 4
50035832	2	ChEMBL_157965 (CHEMBL767495)	In vitro inhibition of Prostaglandin G/H synthase in BSV cell line.
50001510	2	ChEMBL_195779 (CHEMBL801702)	In vitro inhibitory activity against human renal renin using radioimmunoassay for angiotensin I production
50048829	1	ChEMBL_156462 (CHEMBL764840)	Inhibition of cardiac phosphodiesterase-3 isolated from canine heart.
50033043	1	ChEMBL_726871 (CHEMBL1686577)	Inhibition of factor 10a activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate
50033044	1	ChEMBL_726893 (CHEMBL1686599)	Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting
50033044	2	ChEMBL_726895 (CHEMBL1686601)	Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting
50033044	3	ChEMBL_726896 (CHEMBL1686602)	Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting
50033044	4	ChEMBL_726892 (CHEMBL1686598)	Displacement of [3H]testosterone from Sprague-Dawley rat AR by liquid scintillation counting
50001117	6	ChEMBL_1062 (CHEMBL616387)	Inhibitory activity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in mouse hippocampus
50033046	1	ChEMBL_727021 (CHEMBL1686881)	Transrepression activity at GR expressed in NHDF cells assessed as IL-1beta-mediated IL-6 transcription by ELISA
50033046	2	ChEMBL_726916 (CHEMBL1686705)	Agonist activity at GR expressed in rat H4IIEC3 cells assessed as induction of PEPCK transactivation by luciferase reporter gene assay
50033046	3	ChEMBL_727023 (CHEMBL1686883)	Binding affinity to progesterone receptor
50033046	4	ChEMBL_727024 (CHEMBL1686884)	Binding affinity to mineralocorticoid receptor
50033046	5	ChEMBL_726913 (CHEMBL1686702)	Displacement of radiolabeled Dexamethasone from GR
50033046	6	ChEMBL_726914 (CHEMBL1686703)	Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of luciferase transactivation activity
50033046	7	ChEMBL_726917 (CHEMBL1686706)	Transrepression activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin transcription by luciferase reporter gene assay
50033047	1	ChEMBL_727025 (CHEMBL1686885)	Antagonist activity at mouse CD22 after 1 hr by competitive ELISA
50033047	2	ChEMBL_727026 (CHEMBL1686886)	Antagonist activity at human CD22 after 1 hr by competitive ELISA
50033047	3	ChEMBL_727029 (CHEMBL1686889)	Inhibition of human MAG after 1 hr by competitive ELISA
50033048	1	ChEMBL_727034 (CHEMBL1686958)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1 domain 1 to 3 after 3 hrs by chemiluminescent competition assay
50033048	2	ChEMBL_727033 (CHEMBL1686893)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1 domain 1 to 7 after 3 hrs by chemiluminescent competition assay
50033049	1	ChEMBL_727035 (CHEMBL1686959)	Inhibition of ovine COX1 assessed as PGF2alpha level by EIA
50033049	2	ChEMBL_727036 (CHEMBL1686960)	Inhibition of ovine COX2 assessed as PGF2alpha level by EIA
50033050	1	ChEMBL_727045 (CHEMBL1686969)	Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM
50033050	2	ChEMBL_727046 (CHEMBL1686970)	Displacement of [3H]AVP from human vasopressin V2 receptor
50033050	3	ChEMBL_727047 (CHEMBL1686971)	Displacement of [3H]oxytocin from human oxytocin receptor
50033050	4	ChEMBL_727043 (CHEMBL1686967)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay
50033050	5	ChEMBL_727044 (CHEMBL1686968)	Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay
50033050	6	ChEMBL_727040 (CHEMBL1686964)	Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay
50033051	1	ChEMBL_727078 (CHEMBL1687002)	Agonist activity at human beta3 adrenergic receptor
50033051	2	ChEMBL_727080 (CHEMBL1687004)	Agonist activity at human beta1 adrenergic receptor
50035833	4	ChEMBL_60179 (CHEMBL675879)	Agonist activity was tested in vitro against Dopamine receptor from rat brain membranes with [3H]ADT-6,7-dihydroxy-2-aminotetralin]
50033051	4	ChEMBL_727089 (CHEMBL1687013)	Inhibition of human ERG
50033052	1	ChEMBL_727225 (CHEMBL1687250)	Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry
50001321	9	ChEMBL_63628 (CHEMBL675339)	Binding affinity against human Elastase for more active diasteriomer
50001321	12	ChEMBL_64823 (CHEMBL678404)	Binding affinity against porcine pancreatic Elastase
50001321	14	ChEMBL_63834 (CHEMBL676222)	Binding affinity against human leukocyte Elastase
50033054	1	ChEMBL_727292 (CHEMBL1687386)	Inhibition of squalene synthase
50033055	1	ChEMBL_727296 (CHEMBL1687390)	Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay
50001148	5	ChEMBL_50034 (CHEMBL666754)	Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas
50001148	4	ChEMBL_147638 (CHEMBL757322)	Evaluated for its concentration required for displacement of [3H]-Naloxone from opioid receptors in rat brain tissues
50001148	6	ChEMBL_47836 (CHEMBL661927)	Inhibition of binding of [125I]CCK-8 to Cholecystokinin type B receptor in guinea pig brain tissues
50033056	3	ChEMBL_727300 (CHEMBL1687394)	Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining
50035835	2	ChEMBL_68558 (CHEMBL679645)	In vitro binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptic membranes at pH 7.4
50048830	1	ChEMBL_28190 (CHEMBL639306)	In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase
50035836	9	ChEMBL_153990 (CHEMBL762341)	Tested for inhibition of pepsin from porcine
50035836	10	ChEMBL_44986 (CHEMBL660147)	Tested for inhibition of Cathepsin D from bovine
50033056	4	ChEMBL_727302 (CHEMBL1687396)	Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow cytometry
50033057	1	ChEMBL_727395 (CHEMBL1685123)	Displacement of [3H]-(+)-pentazocine from Sigma1-receptor in guinea pig brain membrane
50033058	1	ChEMBL_729310 (CHEMBL1695665)	Inhibition of STAT3 transcriptional activity in human HeLa cells by luciferase reporter gene assay
50035836	11	ChEMBL_35065 (CHEMBL648144)	Tested for inhibition of Angiotensin I converting enzyme from rabbit.
50033060	1	ChEMBL_729485 (CHEMBL1696282)	Competitive antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current by voltage clamp method
50033060	2	ChEMBL_729486 (CHEMBL1696283)	Non competitive antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current by voltage clamp method
50033060	3	ChEMBL_729487 (CHEMBL1696284)	Antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current by voltage clamp method
50033060	4	ChEMBL_729488 (CHEMBL1696285)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as evoked ACh-induced current by voltage clamp method
50033060	5	ChEMBL_729484 (CHEMBL1696281)	Binding affinity to human alpha7 nAChR
50033060	6	ChEMBL_729489 (CHEMBL1696286)	Agonist activity at human recombinant alpha7 nAChR expressed in Xenopus oocyte
50033060	7	ChEMBL_729490 (CHEMBL1696287)	Agonist activity at human recombinant alpha7 nAChR expressed in Xenopus oocyte in presence of 6 uM (S)-ethyl 1-(2-cyanoethyl)pyrrolidine-2-carboxylate
50033061	1	ChEMBL_729495 (CHEMBL1696292)	Inhibition of fluorescein labeled cyclosporin binding to Cyp18 by fluorescence polarization competition assay
50033061	2	ChEMBL_729496 (CHEMBL1696293)	Inhibition of fluorescein labeled cyclosporin binding to Cyp40 by fluorescence polarization competition assay
50033061	3	ChEMBL_729492 (CHEMBL1696289)	Inhibition of Cyclophilin 18 PPIase activity
50033061	4	ChEMBL_729491 (CHEMBL1696288)	Inhibition of Cyclophilin 40 PPIase activity
50033061	5	ChEMBL_729493 (CHEMBL1696290)	Inhibition of cyclosporin binding to Cyp40 by fluorescence polarization competition assay
50033061	6	ChEMBL_729494 (CHEMBL1696291)	Inhibition of cyclosporin binding to Cyp18 by fluorescence polarization competition assay
50033062	1	ChEMBL_729510 (CHEMBL1696436)	Inhibition of p70S6K
50033062	2	ChEMBL_729499 (CHEMBL1696296)	Inhibition of AKT1
50033062	4	ChEMBL_729505 (CHEMBL1696302)	Inhibition of IGF1R
50033062	6	ChEMBL_729509 (CHEMBL1696435)	Inhibition of JNK1
50033062	7	ChEMBL_729511 (CHEMBL1696437)	Inhibition of PI3Kalpha
50033062	8	ChEMBL_729512 (CHEMBL1696438)	Inhibition of SGK1
50033062	9	ChEMBL_729497 (CHEMBL1696294)	Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximity assay
50033062	10	ChEMBL_729497 (CHEMBL1696294)	Inhibition of His-tagged-truncated human PDK1 preincubated with substrate biotinylated-AKT3 for 30 mins measured after 3 hrs by Scintillation proximity assay
50033062	12	ChEMBL_729503 (CHEMBL1696300)	Inhibition of CDK2
50033062	13	ChEMBL_729501 (CHEMBL1696298)	Inhibition of Aurora A
50033062	14	ChEMBL_729514 (CHEMBL1696440)	Inhibition of VEGFR2
50033062	15	ChEMBL_729508 (CHEMBL1696434)	Inhibition of JAK3
50033062	17	ChEMBL_729513 (CHEMBL1696439)	Inhibition of SYK
50033062	18	ChEMBL_729500 (CHEMBL1696297)	Inhibition of ASK1
50033063	1	ChEMBL_729716 (CHEMBL1697117)	Inhibition of Flt3 after 60 mins by radiometric assay
50033063	2	ChEMBL_729717 (CHEMBL1697118)	Inhibition of JAK2 after 60 mins by radiometric assay
50033063	3	ChEMBL_729718 (CHEMBL1697119)	Inhibition of JNK1 after 60 mins by radiometric assay
50033063	4	ChEMBL_729722 (CHEMBL1697123)	Inhibition of PDGFR-beta after 60 mins by radiometric assay
50033063	7	ChEMBL_729651 (CHEMBL1696939)	Inhibition of STAT3 in human HeLa cells after 24 hrs by luciferase reporter gene assay
50033063	9	ChEMBL_729712 (CHEMBL1697113)	Inhibition of EGFR after 60 mins by radiometric assay
50033063	10	ChEMBL_729672 (CHEMBL1696960)	Inhibition of Src kinase
50033063	11	ChEMBL_729714 (CHEMBL1697115)	Inhibition of FGFR-1 after 60 mins by radiometric assay
50033063	12	ChEMBL_729855 (CHEMBL1697609)	Inhibition of VEGFR2 after 60 mins by radiometric assay
50033063	13	ChEMBL_729720 (CHEMBL1697121)	Inhibition of LYN after 60 mins by radiometric assay
50033063	14	ChEMBL_729719 (CHEMBL1697120)	Inhibition of KIT after 60 mins by radiometric assay
50033063	15	ChEMBL_729709 (CHEMBL1697110)	Inhibition of Aurora-A after 60 mins by radiometric assay
50033063	16	ChEMBL_729708 (CHEMBL1697109)	Inhibition of Akt1 after 60 mins by radiometric assay
50033063	17	ChEMBL_729724 (CHEMBL1697125)	Inhibition of TIE2 after 60 mins by radiometric assay
50033063	18	ChEMBL_729715 (CHEMBL1697116)	Inhibition of GSK3-beta after 60 mins by radiometric assay
50033063	19	ChEMBL_729723 (CHEMBL1697124)	Inhibition of PDK1 after 60 mins by radiometric assay
50033063	20	ChEMBL_729707 (CHEMBL1697108)	Inhibition of Abl1 after 60 mins by radiometric assay
50033063	21	ChEMBL_729710 (CHEMBL1697111)	Inhibition of B-Raf after 60 mins by radiometric assay
50033063	22	ChEMBL_729713 (CHEMBL1697114)	Inhibition of Erk2 after 60 mins by radiometric assay
50033064	1	ChEMBL_729858 (CHEMBL1697612)	Displacement of [125I]MIP-1beta from CCR5 in IL-10-stimulated human monocytes
50033064	2	ChEMBL_729859 (CHEMBL1697613)	Antagonist activity at CCR5 in IL-10 stimulated human PBMC cells assessed as MIP-1beta induced chemotaxis
50033064	3	ChEMBL_729862 (CHEMBL1695216)	Activation of CCR5 in human PBMC cells
50033064	4	ChEMBL_729863 (CHEMBL1695217)	Antagonist activity at CCR5 assessed as inhibition of intracellular calcium mobilization
50033064	5	ChEMBL_729864 (CHEMBL1695218)	Antagonist activity at CCR5 assessed as inhibition of ERK phosphorylation
50033064	6	ChEMBL_729865 (CHEMBL1695219)	Antagonist activity at CCR5 assessed as inhibition of receptor internalization
50033064	7	ChEMBL_729875 (CHEMBL1695229)	Inhibition of human hERG
50033064	8	ChEMBL_729877 (CHEMBL1695231)	Inhibition of CYP3A4
50033064	9	ChEMBL_729878 (CHEMBL1695232)	Inhibition of CYP2D6
50033064	10	ChEMBL_729879 (CHEMBL1695233)	Inhibition of CYP1A2
50033064	11	ChEMBL_729880 (CHEMBL1695234)	Inhibition of CYP2C9
50033064	12	ChEMBL_729881 (CHEMBL1695235)	Inhibition of CYP2C19
50033065	1	ChEMBL_729920 (CHEMBL1695274)	Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin peptide preincubated for 5 to 10 mins before addition of substrate measured after 2 hrs by HTRF assay
50033065	2	ChEMBL_729919 (CHEMBL1695273)	Inhibition of VEGFR2 expressed HEK293 cells
50033066	2	ChEMBL_729923 (CHEMBL1695277)	Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cells after 2 hrs by luminometry
50033066	4	ChEMBL_730102 (CHEMBL1695868)	Inhibition of CYP3A4
50033066	5	ChEMBL_730103 (CHEMBL1695869)	Inhibition of CYP1A2
50033066	6	ChEMBL_730104 (CHEMBL1695870)	Inhibition of CYP2D6
50033067	1	ChEMBL_730110 (CHEMBL1695876)	Positive allosteric modulation at rat mGluR5 receptor expressed in HEK293 cells assessed as glutamate-induced calcium fluorescence by Fluo-4/AM dye-based fluorescence assay
50033067	2	ChEMBL_730111 (CHEMBL1695877)	Negative allosteric modulation at rat mGluR5 receptor
50033069	1	ChEMBL_730141 (CHEMBL1696021)	Agonist activity at RXRalpha transfected in human COS1 cells after 18 hrs by luciferase reporter gene transactivation assay
50033070	1	ChEMBL_730295 (CHEMBL1696535)	Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogenic substrate cleavage for 16 mins preincubated with compound for 10 mins before addition of chromogenic substrate
50033070	2	ChEMBL_730296 (CHEMBL1696536)	Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogenic substrate cleavage for 16 mins preincubated with compound for 10 mins before addition of chromogenic substrate
50033070	3	ChEMBL_730297 (CHEMBL1696537)	Competitive inhibition of human recombinant DPP4 by Lineweaver-Burk plot analysis
50033071	1	ChEMBL_730318 (CHEMBL1696682)	Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity
50033072	1	ChEMBL_730500 (CHEMBL1697470)	Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay
50033072	2	ChEMBL_730499 (CHEMBL1697469)	Inhibition of Cysteine protease falcipain-2 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay
50033072	3	ChEMBL_730505 (CHEMBL1697475)	Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3 infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay
50033072	4	ChEMBL_730506 (CHEMBL1697476)	Inhibition of Cysteine protease falcipain-3 in Plasmodium falciparum HB3-leuR1 mutant infected erythrocytes by Z-Phe-Arg-AMC substrate hydrolysis assay
50033073	1	ChEMBL_729210 (CHEMBL1694674)	Inhibition of human glutathione S-transferase P
50033073	2	ChEMBL_729209 (CHEMBL1694673)	Inhibition of Plasmodium falciparum glutathione S-transferase
50033073	3	ChEMBL_729212 (CHEMBL1694676)	Inhibition of human glutathione reductase by spectrophotometer
50001254	5	ChEMBL_1314 (CHEMBL616691)	Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand
50033075	1	ChEMBL_730992 (CHEMBL1697028)	Binding affinity to Clostridium botulinum BoNT/A
50033075	2	ChEMBL_731004 (CHEMBL1697040)	Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assay
50033075	3	ChEMBL_731005 (CHEMBL1697041)	Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assay
50033077	1	ChEMBL_733385 (CHEMBL1691763)	Inhibition of Aeromonas allosaccharophila AL-1 beta-lactamase PER6
50033078	1	ChEMBL_733517 (CHEMBL1689855)	Inhibition of Enterobacter cloacae beta-lactamase P99 assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation
50033078	2	ChEMBL_733518 (CHEMBL1689856)	Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation
50033078	3	ChEMBL_733528 (CHEMBL1689979)	Inhibition of Enterobacter cloacae beta-lactamase P99 after 5 seconds incubation with nitrocefin substrate by spectrophotometry
50033079	1	ChEMBL_735417 (CHEMBL1692695)	Inhibition of MDR1 expressed in MDCK2 cells assessed as inhibition of cell proliferation by calcein and pheophorbide A efflux assays
50033079	2	ChEMBL_735420 (CHEMBL1692698)	Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
50033079	4	ChEMBL_735418 (CHEMBL1692696)	Inhibition of BCRP expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
50033079	5	ChEMBL_735421 (CHEMBL1692699)	Inhibition of MRP3 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays
50033080	1	ChEMBL_735745 (CHEMBL1693753)	Inhibition of mushroom tyrosinase preincubated for 10 mins before addition of 1.7 mM L-tyrosine measured after 20 mins by spectrophotometric method
50033081	1	ChEMBL_735765 (CHEMBL1693773)	Inhibition of aromatase preincubated with 2.6 mM NADP+ for 10 mins before substrate addition measured after 30 mins by fluorescence assay
50033082	1	ChEMBL_735838 (CHEMBL1694230)	Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C
50033083	1	ChEMBL_735873 (CHEMBL1694377)	Antagonist activity at N-cadherin
50033084	1	ChEMBL_735889 (CHEMBL1694393)	Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interaction by ELISA assay
50033084	2	ChEMBL_735890 (CHEMBL1694394)	Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interaction by ELISA assay
50001258	3	ChEMBL_30563 (CHEMBL649875)	Binding affinity for Adenosine A2 receptor from rat striatum using [3H]NECA as radioligand
50001258	4	ChEMBL_31026 (CHEMBL638315)	Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranes
50033086	1	ChEMBL_736096 (CHEMBL1692770)	Inhibition of human Telomerase activity in cell free system by TRAP assay
50033087	1	ChEMBL_736105 (CHEMBL1692888)	Inhibition of human PlGF-1-VEGFR-1 interaction by ELISA
50033087	2	ChEMBL_736117 (CHEMBL1692900)	Binding affinity to human PlGF-1
50033087	3	ChEMBL_736109 (CHEMBL1692892)	Inhibition of mouse PlGF-VEGFR-1 interaction by ELISA
50033087	4	ChEMBL_736104 (CHEMBL1692887)	Binding affinity to human PlGF-2
50033087	5	ChEMBL_736103 (CHEMBL1692886)	Binding affinity to mouse PlGF
50033087	6	ChEMBL_736106 (CHEMBL1692889)	Inhibition of human PlGF-2-VEGFR-1 interaction by ELISA
50033088	1	ChEMBL_736202 (CHEMBL1693238)	Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane homogenate by liquid scintillation counting
50033088	2	ChEMBL_736201 (CHEMBL1693237)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane homogenate by liquid scintillation counting
50033088	3	ChEMBL_736204 (CHEMBL1693240)	Agonist activity at mu opioid receptor in rat brain membrane by [35S]GTPgammaS binding assay
50033089	1	ChEMBL_736221 (CHEMBL1693365)	Agonist activity at PAR2 in human 16HBE14o cells assessed as increase in intracellular calcium levels measured every 15 second for 2 hrs by xCelligence real time cell analyzer
50033089	2	ChEMBL_736225 (CHEMBL1693369)	Agonist activity at PAR2 in human 16HBE14o cells assessed as increase in intracellular calcium levels by in vitro physiological response assay
50033090	1	ChEMBL_736241 (CHEMBL1693385)	Inhibition of Plasmodium falciparum falcipain 2 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence spectrophotometry
50033090	2	ChEMBL_736242 (CHEMBL1693386)	Inhibition of Plasmodium falciparum falcipain 3 incubated with compound for 10 mins before addition of 25 uM Z-Leu-Arg-AMC substrate by fluorescence spectrophotometry
50033092	1	ChEMBL_736251 (CHEMBL1693395)	Activation of KCNQ2/Q3 expressed in CHO cells by atomic absorption Rb'+ efflux assay
50033092	2	ChEMBL_736252 (CHEMBL1693396)	Activation of KCNQ1 expressed in HEK293 cells by atomic absorption Rb'+ efflux assay
50033093	1	ChEMBL_736315 (CHEMBL1693669)	Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NF-kappaB induction by spectrophotometric analysis
50033094	1	ChEMBL_736451 (CHEMBL1694279)	Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay
50033095	2	ChEMBL_736468 (CHEMBL1694296)	Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50033095	4	ChEMBL_736470 (CHEMBL1694298)	Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells after 48 hrs by cAMP based beta-galactosidase reporter gene assay
50033096	1	ChEMBL_736488 (CHEMBL1694433)	Inhibition of Mdm2 -p53 protein interaction by ELISA
50033097	1	ChEMBL_736561 (CHEMBL1692290)	Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay
50033097	2	ChEMBL_736560 (CHEMBL1692289)	Inhibition of human carbonic anhydrase 2 by CO2 hydration assay
50033097	3	ChEMBL_736559 (CHEMBL1692288)	Inhibition of human carbonic anhydrase 1 by CO2 hydration assay
50033097	4	ChEMBL_736562 (CHEMBL1692291)	Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay
50033098	1	ChEMBL_736594 (CHEMBL1692323)	Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BSA
50033099	1	ChEMBL_736608 (CHEMBL1694989)	Inhibition of human adenosine kinase
50001259	2	ChEMBL_30693 (CHEMBL646321)	Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]NECA as radioligand
50001225	3	ChEMBL_52221 (CHEMBL663971)	In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea pig lung membrane
50033101	1	ChEMBL_736719 (CHEMBL1695100)	Inhibition of 5-lipoxygenase in human neutrophils
50033101	2	ChEMBL_736717 (CHEMBL1695098)	Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli MV1190 by cell free assay
50033101	3	ChEMBL_736715 (CHEMBL1695096)	Inhibition of Prostaglandin E2 synthase-1 in IL1-beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC
50033102	1	ChEMBL_736726 (CHEMBL1695107)	Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50033102	2	ChEMBL_736727 (CHEMBL1695108)	Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50033102	3	ChEMBL_736722 (CHEMBL1695103)	Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
50033102	4	ChEMBL_736724 (CHEMBL1695105)	Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
50033102	5	ChEMBL_736725 (CHEMBL1695106)	Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
50033102	6	ChEMBL_736723 (CHEMBL1695104)	Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay
50033103	1	ChEMBL_734826 (CHEMBL1692976)	Inhibition of human LDH-A using pyruvate as substrate and NADH as cofactor at 125 uM after 5 mins by calorimetric assay relative to control
50033103	2	ChEMBL_734829 (CHEMBL1692979)	Competitive inhibition of human LDH-A using NADH as substrate after 5 mins by calorimetric assay relative to control
50033103	3	ChEMBL_734830 (CHEMBL1692980)	Competitive inhibition of human LDH-A using pyruvate as substrate after 5 mins by calorimetric assay relative to control
50033104	1	ChEMBL_734986 (CHEMBL1693593)	Inhibition of LCK
50033104	2	ChEMBL_734988 (CHEMBL1693595)	Inhibition of p38alpha
50033104	3	ChEMBL_734990 (CHEMBL1693597)	Inhibition of RET
50033104	4	ChEMBL_734960 (CHEMBL1693567)	Inhibition of C-Raf
50033104	5	ChEMBL_734980 (CHEMBL1693587)	Inhibition of wild-type B-Raf
50033104	6	ChEMBL_734981 (CHEMBL1693588)	Inhibition of Abl1
50033104	7	ChEMBL_734982 (CHEMBL1693589)	Inhibition of DDR2
50033104	8	ChEMBL_734983 (CHEMBL1693590)	Inhibition of EGFR
50033104	9	ChEMBL_734984 (CHEMBL1693591)	Inhibition of EPHA2
50033104	10	ChEMBL_734985 (CHEMBL1693592)	Inhibition of KDR
50033104	11	ChEMBL_734963 (CHEMBL1693570)	Inhibition of raf kinase in human A375 cells assessed as decrease in MEK-mediated ERK phosphorylation after 3 hrs using 3,3',5,5'-tetramethylbenzidine liquid substrate system
50033104	12	ChEMBL_734962 (CHEMBL1693569)	Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay
50033105	1	ChEMBL_735000 (CHEMBL1693607)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis
50033105	2	ChEMBL_735004 (CHEMBL1693611)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay
50033105	3	ChEMBL_735005 (CHEMBL1693612)	Antagonist activity at CCR2 in human PBMC cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay
50033105	4	ChEMBL_735050 (CHEMBL1693891)	Antagonist activity at CCR1 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay
50033105	5	ChEMBL_735051 (CHEMBL1693892)	Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL3-induced chemotaxis after 2 hrs trans-well migration assay
50033105	6	ChEMBL_735052 (CHEMBL1693893)	Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL4-induced chemotaxis after 2 hrs trans-well migration assay
50033105	7	ChEMBL_735053 (CHEMBL1693894)	Antagonist activity at CCR1 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay
50033105	8	ChEMBL_735054 (CHEMBL1693895)	Antagonist activity at CCR3 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay
50033105	9	ChEMBL_735055 (CHEMBL1693896)	Antagonist activity at CCR5 in human PBMC cells assessed as inhibition of CCL5-induced chemotaxis after 2 hrs trans-well migration assay
50033105	10	ChEMBL_735056 (CHEMBL1693897)	Antagonist activity at CCR1 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay
50033105	11	ChEMBL_735057 (CHEMBL1693898)	Antagonist activity at CCR3 in eosinophil cells assessed as inhibition of CCL11-induced chemotaxis after 2 hrs trans-well migration assay
50033105	12	ChEMBL_735058 (CHEMBL1693899)	Antagonist activity at CCR4 in transfected in THP-1 cells assessed as inhibition of CCL17-induced chemotaxis after 2 hrs trans-well migration assay
50033105	13	ChEMBL_735059 (CHEMBL1693900)	Antagonist activity at CXCR1 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay
50033105	14	ChEMBL_735060 (CHEMBL1693901)	Antagonist activity at CXCR2 in human PMN cells assessed as inhibition of CXCL8-induced chemotaxis after 2 hrs trans-well migration assay
50033105	15	ChEMBL_735069 (CHEMBL1693910)	Antagonist activity at CCR2 in mouse spleen cells assessed as inhibition of CCL2-induced chemotaxis
50033105	16	ChEMBL_735070 (CHEMBL1693911)	Antagonist activity at CCR2 in rat spleen cells assessed as inhibition of CCL2-induced chemotaxis
50033106	1	ChEMBL_735118 (CHEMBL1694074)	Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate
50033106	2	ChEMBL_735121 (CHEMBL1694077)	Inhibition of human CYP11B1 expressed in Chinese hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone/11-deoxycorticosterone
50033106	3	ChEMBL_735122 (CHEMBL1694078)	Inhibition of human CYP11B2 expressed in Chinese hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone/11-deoxycorticosterone
50033107	1	ChEMBL_735125 (CHEMBL1694081)	Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity
50033108	1	ChEMBL_735249 (CHEMBL1694511)	Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting
50033108	2	ChEMBL_735248 (CHEMBL1694510)	Displacement of [3H]-pentazocine from guinea pig sigma1 receptor by liquid scintillation counting
50033108	3	ChEMBL_735245 (CHEMBL1694507)	Binding affinity to human D4 receptor transfected in human HEK293 cells by gamma-counting
50033108	4	ChEMBL_735244 (CHEMBL1694506)	Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting
50033108	5	ChEMBL_735243 (CHEMBL1694505)	Displacement of [125I]-IABN from human D2 receptor transfected in human HEK 293 cells by gamma-counting
50033109	1	ChEMBL_735257 (CHEMBL1694519)	Inhibition of factor 10a using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate
50033110	1	ChEMBL_735492 (CHEMBL1692876)	Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting
50035840	7	ChEMBL_38285 (CHEMBL647668)	Tested for Beta adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs
50035840	8	ChEMBL_56502 (CHEMBL667337)	Tested for beta-receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs
50035840	9	ChEMBL_38268 (CHEMBL646911)	Tested for Beta Adrenergic receptor binding inhibition from canine ventricular tissue, using [3H]dihydroalprenolol as the radioligand in anesthetized dogs
50035841	5	ChEMBL_88911 (CHEMBL699813)	Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain
50035841	6	ChEMBL_177402 (CHEMBL840560)	Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes
50042196	6	ChEMBL_59781 (CHEMBL671062)	Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites
50042196	2	ChEMBL_59773 (CHEMBL857159)	Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites
50035842	5	ChEMBL_50709 (CHEMBL661703)	Inhibition of Cytochrome P450 19A1 activity 6 hr after oral administration
50035842	6	ChEMBL_50885 (CHEMBL661762)	Binding affinity was measured on Cytochrome P450 19A1
50033112	1	ChEMBL_735540 (CHEMBL1693045)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay
50033112	2	ChEMBL_735541 (CHEMBL1693046)	Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay
50033112	3	ChEMBL_735542 (CHEMBL1693047)	Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay
50033112	4	ChEMBL_735539 (CHEMBL1693044)	Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay
50033113	2	ChEMBL_735636 (CHEMBL1693338)	Displacement of wild type mBimBH3 from Mcl-1 by solution competition assay
50033113	3	ChEMBL_735550 (CHEMBL1693055)	Displacement of wild type mBimBH3 from human Bcl-2 by solution competition assay
50035845	7	ChEMBL_155247 (CHEMBL764736)	Inhibition against human plasmin was determined at 0.5 mM
50033114	1	ChEMBL_735637 (CHEMBL1693339)	Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorogenic substrate L-Leucyl-7-amido-40-methylcoumarin by fluorescence spectrophotometry
50035845	8	ChEMBL_213160 (CHEMBL816645)	Inhibition against Urokinase-type plasminogen activator
50033116	1	ChEMBL_735653 (CHEMBL1693468)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [1,2-[3H]cortisone to cortisol after 10 mins by scintillation counting
50033116	2	ChEMBL_735656 (CHEMBL1693471)	Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [1,2,6,7-[3H]cortisol to cortisone after 10 mins by scintillation counting
50033116	3	ChEMBL_735658 (CHEMBL1693473)	Inhibition of rat hepatic 11beta-HSD1
50033116	4	ChEMBL_735659 (CHEMBL1693474)	Inhibition of rat renal 11beta-HSD2
50033117	3	ChEMBL_735664 (CHEMBL1693479)	Inhibition of human carbonic anhydrase 1 after 15 mins by Lineweaver-Burk plot
50033117	4	ChEMBL_735665 (CHEMBL1693480)	Inhibition of human carbonic anhydrase 2 after 15 mins by Lineweaver-Burk plot
50033117	5	ChEMBL_735666 (CHEMBL1693481)	Inhibition of human carbonic anhydrase 3 after 15 mins by Lineweaver-Burk plot
50033117	6	ChEMBL_735667 (CHEMBL1693482)	Inhibition of human carbonic anhydrase 4 after 15 mins by Lineweaver-Burk plot
50035845	9	ChEMBL_212532 (CHEMBL815752)	Inhibition against Trypsin
50033118	1	ChEMBL_740602 (CHEMBL1764865)	Inhibition of AKT1 by IMAP assay
50033118	2	ChEMBL_740603 (CHEMBL1764866)	Inhibition of AKT1 in human LNCaP cells assessed as PRAS40 phosphorylation at Thr246 after 1.5 hrs
50033119	1	ChEMBL_740684 (CHEMBL1763746)	Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis
50033120	1	ChEMBL_740704 (CHEMBL1763766)	Inhibition of human FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin
50033120	2	ChEMBL_740703 (CHEMBL1763765)	Inhibition of rat FAAH assessed as hydrolysis of anandamido-amino-methyl-cumarin
50033120	3	ChEMBL_740702 (CHEMBL1763764)	Inhibition of FAAH in rat RBL cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting
50033120	4	ChEMBL_740688 (CHEMBL1763750)	Inhibition of FAAH in human T84 cell assessed as conversion of [3H]AEA to [3H]ethanolamine by scintillation counting
50033121	1	ChEMBL_740790 (CHEMBL1763891)	Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLC
50033121	2	ChEMBL_740791 (CHEMBL1763892)	Binding affinity to Mycobacterium tuberculosis recombinant MBP-tagged MshC by isothermal titration calorimetry assay
50033122	1	ChEMBL_740875 (CHEMBL1763976)	Inhibition of squalene synthase assessed as conversion of [3H]farnesyl phosphate to [3H]squalene after 10 mins by scintillation counting
50033123	1	ChEMBL_740884 (CHEMBL1763985)	Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation
50033123	2	ChEMBL_740886 (CHEMBL1763987)	Competitive inhibition of rat alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation
50033124	1	ChEMBL_740890 (CHEMBL1763991)	Antagonist activity at alpha9/alpha10 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiology assay
50033124	2	ChEMBL_739456 (CHEMBL1763282)	Antagonist activity at alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-gated current by voltage clamp electrophysiology assay
50033124	3	ChEMBL_739457 (CHEMBL1763283)	Inhibition of alpha4beta2 nAChR
50033124	4	ChEMBL_739458 (CHEMBL1763284)	Inhibition of alpha3beta4 nAChR
50033125	1	ChEMBL_739660 (CHEMBL1763486)	Inhibition of mushroom tyrosinase using L-tyrosine as a substrate
50033125	2	ChEMBL_739668 (CHEMBL1763494)	Inhibition of mushroom tyrosinase at 1.25 uM by Lineweaver-Burk plot analysis
50033125	3	ChEMBL_739669 (CHEMBL1763495)	Inhibition of mushroom tyrosinase at 20 uM by Lineweaver-Burk plot analysis
50033126	1	ChEMBL_739676 (CHEMBL1763502)	Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex
50033126	2	ChEMBL_739677 (CHEMBL1763503)	Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex
50033126	3	ChEMBL_739672 (CHEMBL1763498)	Inhibition of human erythrocyte recombinant AChE by modified Ellman's method
50033126	4	ChEMBL_739674 (CHEMBL1763500)	Inhibition of human plasmatic BChE by modified Ellman's method
50033127	1	ChEMBL_739992 (CHEMBL1763052)	Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells
50033128	1	ChEMBL_740009 (CHEMBL1763069)	Inhibition of human recombinant iNOS
50035845	6	ChEMBL_212556 (CHEMBL815775)	log1/Ki value was calculated against Trypsin
50033128	2	ChEMBL_740010 (CHEMBL1763070)	Inhibition of NET
50033128	3	ChEMBL_740011 (CHEMBL1763071)	Inhibition of serotonin transporter
50033128	4	ChEMBL_740012 (CHEMBL1763072)	Inhibition of CYP2D6
50033128	5	ChEMBL_740013 (CHEMBL1763073)	Inhibition of human ERG
50033128	6	ChEMBL_740112 (CHEMBL1763172)	Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide production
50033129	1	ChEMBL_740119 (CHEMBL1763179)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	2	ChEMBL_740118 (CHEMBL1763178)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	3	ChEMBL_740127 (CHEMBL1763187)	Inhibition of SGLT6 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	4	ChEMBL_740128 (CHEMBL1763188)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting in presence of 100% plasma
50033129	5	ChEMBL_740116 (CHEMBL1763176)	Inhibition of SGLT2
50033129	6	ChEMBL_740117 (CHEMBL1763177)	Inhibition of SGLT1
50033129	7	ChEMBL_740120 (CHEMBL1763180)	Inhibition of rat SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	8	ChEMBL_740121 (CHEMBL1763181)	Inhibition of rat SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	9	ChEMBL_740122 (CHEMBL1763182)	Inhibition of mouse SGLT2 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	10	ChEMBL_740123 (CHEMBL1763183)	Inhibition of mouse SGLT1 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting
50033129	11	ChEMBL_739866 (CHEMBL1762926)	Displacement of [3H]dapagliflozin from human SGLT2 expressed in CHO cells after 60 mins by scintillation counting
50033130	1	ChEMBL_739869 (CHEMBL1762929)	Antagonist activity against human adenosine A2A receptor
50033131	1	ChEMBL_739878 (CHEMBL1762938)	Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay
50033131	2	ChEMBL_739879 (CHEMBL1762939)	Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay
50033132	1	ChEMBL_739884 (CHEMBL1762944)	Inhibition of diphenolase activity of mushroom tyrosinase preincubated with compound for 10 mins before addition of L-DOPA as substrate by spectrophotometric analysis
50033133	1	ChEMBL_741097 (CHEMBL1764368)	Inhibition of CYP1A1
50033133	2	ChEMBL_741098 (CHEMBL1764369)	Inhibition of CYP1A2
50033133	3	ChEMBL_741099 (CHEMBL1764370)	Inhibition of CYP2C8
50033133	4	ChEMBL_741100 (CHEMBL1764371)	Inhibition of CYP2C9
50033133	5	ChEMBL_741101 (CHEMBL1764372)	Inhibition of CYP2C19
50033133	6	ChEMBL_741102 (CHEMBL1764373)	Inhibition of CYP2D6
50033133	7	ChEMBL_741103 (CHEMBL1764374)	Inhibition of CYP2E1
50033133	8	ChEMBL_741104 (CHEMBL1764375)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as a substrate
50033133	9	ChEMBL_741105 (CHEMBL1764376)	Inhibition of CYP3A4 using dibenzylfluorescein as a substrate
50033134	1	ChEMBL_741114 (CHEMBL1764385)	Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique
50033135	1	ChEMBL_741145 (CHEMBL1764416)	Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 mins by spectrophotometric analysis
50033135	2	ChEMBL_741146 (CHEMBL1764417)	Inhibition of horse serum butyrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectrophotometric analysis
50033135	3	ChEMBL_741147 (CHEMBL1764418)	Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method
50033136	1	ChEMBL_741201 (CHEMBL1764523)	Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr
50035845	5	ChEMBL_213296 (CHEMBL814351)	log1/Ki value was calculated against Urokinase-type plasminogen activator
50033136	5	ChEMBL_741310 (CHEMBL1764779)	Inhibition of Aurora A
50033136	6	ChEMBL_741311 (CHEMBL1764780)	Inhibition of CDK2
50033136	7	ChEMBL_741312 (CHEMBL1764781)	Inhibition of cMet
50033136	8	ChEMBL_741313 (CHEMBL1764782)	Inhibition of EGFR
50033136	9	ChEMBL_741315 (CHEMBL1764784)	Inhibition of KDR
50033136	10	ChEMBL_741316 (CHEMBL1764785)	Inhibition of Tie2
50033137	1	ChEMBL_741329 (CHEMBL1764798)	Antagonist activity at MCHR1 by aequorin bioluminescence assay
50033137	2	ChEMBL_741328 (CHEMBL1764797)	Displacement of [3H]-dofetilide from human ERG expressed in human HEK293 cells after 90 mins by scintillation counting
50033137	3	ChEMBL_741327 (CHEMBL1764796)	Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting
50033138	1	ChEMBL_741366 (CHEMBL1764892)	Antagonistic activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated cAMP accumulation
50033138	2	ChEMBL_741365 (CHEMBL1764891)	Displacement of ovine [125I]CRF from human CRF1 receptor expressed in CHO cells
50033139	1	ChEMBL_741445 (CHEMBL1763704)	Agonist activity at Toll-like receptor 7
50033139	2	ChEMBL_741451 (CHEMBL1763710)	Inhibition of Adenosine receptor A1
50033140	1	ChEMBL_741463 (CHEMBL1763722)	Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay
50033141	1	ChEMBL_741467 (CHEMBL1763782)	Inhibition of human cRAF using [gamma-33P-ATP] as a substrate by scintillation counting
50033142	1	ChEMBL_741473 (CHEMBL1763788)	Inhibition of Akt1
50033142	2	ChEMBL_741476 (CHEMBL1763791)	Inhibition of AKT1-mediated PRAS40 phosphorylation in human LNCaP cells
50033143	1	ChEMBL_741484 (CHEMBL1763799)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level
50033143	2	ChEMBL_741486 (CHEMBL1763801)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level
50033143	3	ChEMBL_741503 (CHEMBL1763818)	Binding affinity to human CB1 receptor
50033143	4	ChEMBL_741483 (CHEMBL1763798)	Binding affinity to human CB2 receptor
50033143	5	ChEMBL_741489 (CHEMBL1763804)	Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level
50033143	6	ChEMBL_741491 (CHEMBL1763806)	Agonist activity at rat CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level
50033144	1	ChEMBL_741504 (CHEMBL1763819)	Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in HEK293 cells
50033144	2	ChEMBL_740913 (CHEMBL1764014)	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50033144	3	ChEMBL_741505 (CHEMBL1763820)	Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in HEK293 cells
50033144	4	ChEMBL_740914 (CHEMBL1764015)	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50033145	1	ChEMBL_740916 (CHEMBL1764017)	Inhibition of human carbonic anhydrase 1 after 6 hrs by Lineweaver-Burk plot analysis
50033145	2	ChEMBL_740917 (CHEMBL1764018)	Inhibition of human carbonic anhydrase 2 after 6 hrs by Lineweaver-Burk plot analysis
50033146	1	ChEMBL_740919 (CHEMBL1764020)	Displacement of Eu-labeled MCH from human MCH-R1 expressed in CHO by time-resolved fluorometric assay
50033146	2	ChEMBL_740926 (CHEMBL1764027)	Inhibition hERG by patch clamp method
50033147	1	ChEMBL_740930 (CHEMBL1764031)	Inhibition of recombinant TNAP
50033148	1	ChEMBL_740939 (CHEMBL1764083)	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay
50033148	2	ChEMBL_740937 (CHEMBL1764081)	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay
50033148	3	ChEMBL_740940 (CHEMBL1764084)	Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay
50033148	4	ChEMBL_740938 (CHEMBL1764082)	Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay
50033149	1	ChEMBL_741005 (CHEMBL1764191)	Inhibition of Clostridium BoNT/A protease light chain
50033150	1	ChEMBL_741046 (CHEMBL1764274)	Inhibition of human recombinant renin in PBS buffer using tetradecapeptide at pH 7.4
50033150	2	ChEMBL_741040 (CHEMBL1764268)	Inhibition of human recombinant renin in human citreated-plasma
50033150	3	ChEMBL_741041 (CHEMBL1764269)	Binding affinity to human ERG
50033150	4	ChEMBL_741042 (CHEMBL1764270)	Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high throughput mass spectrometry in absence of NADPH
50033150	5	ChEMBL_741043 (CHEMBL1764271)	Inhibition of human CYP3A4 in human liver microsomes assessed as formation of 6beta-hydroxy-testosterone using testosterone as substrate by high throughput mass spectrometry preincubated for 30 mins in presence of NADPH
50033151	1	ChEMBL_741068 (CHEMBL1764296)	Inhibition of human DPP-4 assessed as cleavage of substrate using H-Gly-Pro-AMC chromogenic substrate after 10 mins by double beam spectrophotometer
50033152	1	ChEMBL_741129 (CHEMBL1764400)	Inhibition of mouse recombinant 11beta-HSD1 assessed as conversion of radiolabeled-cortisone to cortisol by scintillation proximity assay
50033152	2	ChEMBL_741128 (CHEMBL1764399)	Inhibition of human recombinant 11beta-HSD1 assessed as conversion of radiolabeled-cortisone to cortisol by scintillation proximity assay
50033152	3	ChEMBL_741136 (CHEMBL1764407)	Inhibition of human recombinant 11beta-HSD2
50033152	4	ChEMBL_741130 (CHEMBL1764401)	Inhibition of CYP3A4
50033153	5	ChEMBL_741139 (CHEMBL1764410)	Displacement of [125I]NDP-alpha-MSH from human MC1 receptor expressed in CHO cells
50033153	7	ChEMBL_741172 (CHEMBL1764494)	Agonist activity at human MC4 receptor expressed in CHO cells assessed as cAMP accumulation
50033153	4	ChEMBL_741173 (CHEMBL1764495)	Agonist activity at human MC5 receptor expressed in CHO cells assessed as cAMP accumulation
50035847	2	ChEMBL_80669 (CHEMBL691798)	In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation
50033154	1	ChEMBL_741233 (CHEMBL1764602)	Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase
50048831	1	ChEMBL_3109 (CHEMBL620587)	The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)
50035849	7	ChEMBL_146234 (CHEMBL873068)	Affinity of compound towards Opioid receptor kappa 1 labeled with [3H]bremazocine.
50035850	3	ChEMBL_30720 (CHEMBL646486)	Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand
50035851	2	ChEMBL_1429 (CHEMBL616303)	Inhibitory activity against 5-hydroxytryptamine 1A receptor in rat cortical membranes using [3H]8-OH-DPAT as a radioligand
50035851	15	ChEMBL_2391 (CHEMBL617669)	Inhibitory activity against 5-hydroxytryptamine 2 receptor in rat cortical membranes using [3H]ketanserin as a radioligand
50035851	6	ChEMBL_1803 (CHEMBL616776)	Inhibitory activity against 5-hydroxytryptamine 1B receptor in rat cortical membranes using [3H]5-HT as a radioligand
50048832	1	ChEMBL_138381 (CHEMBL749216)	Dissociation constant towards Muscarinic acetylcholine receptor in guinea pig ileum
50048832	2	ChEMBL_138264 (CHEMBL743981)	Compound was tested for its potency against Muscarinic acetylcholine receptor in guinea pig ileum
50048832	3	ChEMBL_138635 (CHEMBL749266)	Dissociation constant towards Muscarinic acetylcholine receptor in guinea pig ileum
50048833	1	ChEMBL_139456 (CHEMBL751553)	Binding activity to muscarinic acetylcholine receptor in rat heart, assayed using [3H]-QNB as a radioligand.
50048833	2	ChEMBL_139453 (CHEMBL751550)	Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed using [3H]PZ as a radioligand.
50048833	3	ChEMBL_139455 (CHEMBL751552)	Binding activity to muscarinic acetylcholine receptor in rat heart, assayed using [3H]QNB as a radioligand in the presence of Gpp(NH)p.
50048833	4	ChEMBL_139452 (CHEMBL751549)	Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed using [3H]CD as a radioligand.
50033156	1	ChEMBL_741339 (CHEMBL1764808)	Inhibition of caspase 1 by fluorometric assay
50033156	2	ChEMBL_741338 (CHEMBL1764807)	Inhibition of human caspase 3 by fluorometric assay
50033156	3	ChEMBL_741340 (CHEMBL1764809)	Inhibition of caspase 6 by fluorometric assay
50033156	4	ChEMBL_741337 (CHEMBL1764806)	Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by microplate fluorescence assay
50033156	5	ChEMBL_741341 (CHEMBL1764810)	Inhibition of caspase 7 by fluorometric assay
50033156	6	ChEMBL_741342 (CHEMBL1764811)	Inhibition of caspase 8 by fluorometric assay
50033157	1	ChEMBL_741350 (CHEMBL1764819)	Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells
50033157	2	ChEMBL_741349 (CHEMBL1764818)	Inhibition of VEGFR2
50033157	3	ChEMBL_741347 (CHEMBL1764816)	Inhibition of human EPHB4
50033157	4	ChEMBL_741419 (CHEMBL1763678)	Inhibition of CSK
50033157	5	ChEMBL_741348 (CHEMBL1764817)	Inhibition FGFR1
50048833	5	ChEMBL_139454 (CHEMBL751551)	Binding activity against Muscarinic acetylcholine receptor in rat cortex, using [3H]QNB as a radioligand.
50033159	1	ChEMBL_739505 (CHEMBL1763331)	Inhibition of JNK3 by HRTF
50033159	2	ChEMBL_739506 (CHEMBL1763332)	Inhibition of JNK1 by HRTF
50033159	3	ChEMBL_739507 (CHEMBL1763333)	Inhibition of c-Jun
50048833	6	ChEMBL_139858 (CHEMBL746355)	Binding activity against Muscarinic acetylcholine receptor in rat cortex, using [3H]QNB as a radioligand.
50033161	1	ChEMBL_739585 (CHEMBL1763411)	Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric method
50033161	2	ChEMBL_739586 (CHEMBL1763412)	Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric method
50033162	1	ChEMBL_739811 (CHEMBL1762871)	Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as GRE activation by luciferase reporter gene assay
50033162	2	ChEMBL_739810 (CHEMBL1762870)	Binding affinity to androgen receptor
50033162	3	ChEMBL_739809 (CHEMBL1762869)	Binding affinity to mineralocorticoid receptor
50033162	4	ChEMBL_739808 (CHEMBL1762868)	Binding affinity to progesterone receptor
50033162	5	ChEMBL_739806 (CHEMBL1762866)	Transrepression activity at glucocorticoid receptor in human NHDF cells assessed as inhibition of IL-1beta-stimulated AP1 dependent IL-6 repression by ELISA
50033162	6	ChEMBL_739804 (CHEMBL1762864)	Transrepression activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of TNFalpha/IL1beta-stimulated NFkappaB-dependent E-selectin repression by luciferase reporter gene assay
50033162	7	ChEMBL_739803 (CHEMBL1762863)	Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expressed in baculovirus
50033162	8	ChEMBL_739896 (CHEMBL1762956)	Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with PEPCK assessed as GRE activation by luciferase reporter gene assay
50033163	1	ChEMBL_740131 (CHEMBL1763191)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 mins by liquid scintillation counting
50033163	2	ChEMBL_740132 (CHEMBL1763192)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 hrs by liquid scintillation counting
50033163	3	ChEMBL_740133 (CHEMBL1763193)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting
50033163	4	ChEMBL_740134 (CHEMBL1763194)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15 mins by liquid scintillation counting
50033163	5	ChEMBL_740135 (CHEMBL1763195)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 hrs by liquid scintillation counting
50033163	6	ChEMBL_740136 (CHEMBL1763196)	Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24 hrs by liquid scintillation counting
50033164	1	ChEMBL_740149 (CHEMBL1763209)	Inhibition of human NAmPRTase by spectrophotometric analysis
50033165	1	ChEMBL_740151 (CHEMBL1763211)	Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting
50033165	2	ChEMBL_740153 (CHEMBL1763213)	Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting
50033165	3	ChEMBL_740229 (CHEMBL1764074)	Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting
50033166	1	ChEMBL_740243 (CHEMBL1764143)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor
50033166	2	ChEMBL_740241 (CHEMBL1764141)	Antagonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as inhibition of alpha-Me-serotonin-induced intracellular calcium mobilization
50033166	3	ChEMBL_740240 (CHEMBL1764140)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT2B receptor
50033166	4	ChEMBL_740246 (CHEMBL1764146)	Antagonist activity at human ERG by patch clamp method
50033166	5	ChEMBL_740242 (CHEMBL1764142)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production after 2 hrs
50033167	1	ChEMBL_740644 (CHEMBL1763646)	Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay
50033168	1	ChEMBL_739419 (CHEMBL1762846)	Inhibition of nNOS in LPS-stimulated Wistar rat striata assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by liquid scintillation counting
50033169	1	ChEMBL_740261 (CHEMBL1764161)	Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate after 4 hrs by FRET assay
50033170	1	ChEMBL_740266 (CHEMBL1764166)	Inhibition of Tyrosinase
50033172	1	ChEMBL_740553 (CHEMBL1764754)	Agonist activity at PXR
50033172	2	ChEMBL_740555 (CHEMBL1764756)	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting
50033172	3	ChEMBL_740556 (CHEMBL1764757)	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting
50033172	4	ChEMBL_740565 (CHEMBL1764828)	Inhibition of human 11beta-HSD2
50033172	5	ChEMBL_740566 (CHEMBL1764829)	Inhibition of mouse 11beta-HSD2
50033172	6	ChEMBL_740562 (CHEMBL1764825)	Inhibition of CYP3A4
50033172	7	ChEMBL_740563 (CHEMBL1764826)	Inhibition of CYP2C9
50033172	8	ChEMBL_740564 (CHEMBL1764827)	Inhibition of CYP2D6
50033172	9	ChEMBL_740428 (CHEMBL1764542)	Inhibition of human 11beta-HSD1 by SPA-based assay
50033172	10	ChEMBL_740576 (CHEMBL1764839)	Inhibition of mouse 11beta-HSD1 by SPA-based assay
50033173	1	ChEMBL_740853 (CHEMBL1763954)	Inhibition of xanthine oxidase activity assessed as uric acid formation pretreated for 15 mins before substrate addition measured after 5 mins
50033174	1	ChEMBL_739627 (CHEMBL1763453)	Inhibition of human factor 10a using S2222 chromogenic substrate by spectrophotometric analysis
50033176	1	ChEMBL_739725 (CHEMBL1763551)	Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into peptide PKTPKKAKKL substrate after 45 mins by scintillation counter
50033176	2	ChEMBL_739719 (CHEMBL1763545)	Inhibition of CDK5/P25 using full length tau as substrate by colorimetric ELISA
50033176	3	ChEMBL_739720 (CHEMBL1763546)	Inhibition of CDK2 in presence of 60 uM ATP
50033176	4	ChEMBL_739721 (CHEMBL1763547)	Inhibition of GSK3-beta in presence of 60 uM ATP
50033176	5	ChEMBL_739722 (CHEMBL1763548)	Inhibition of tau protein phosphorylation at Ser396 in rat brain cells at 0.5 to 50 uM after 4 hrs
50033177	1	ChEMBL_739728 (CHEMBL1763554)	Inhibition of human EGFR-mediated poly(Glu4Tyr) phosphorylation after 1 hr
50033177	2	ChEMBL_739729 (CHEMBL1763555)	Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation after 1 hr
50033177	3	ChEMBL_739726 (CHEMBL1763552)	Inhibition of VEGFR-2
50033177	4	ChEMBL_739727 (CHEMBL1763553)	Inhibition of EGFR
50033177	5	ChEMBL_739815 (CHEMBL1762875)	Inhibition of KDR
50033178	1	ChEMBL_739816 (CHEMBL1762876)	Inhibition of HIF-2alpha activity in human 786-O cells by luciferase assay
50033179	1	ChEMBL_739841 (CHEMBL1762901)	Inhibition of Src
50033179	2	ChEMBL_739832 (CHEMBL1762892)	Inhibition of IGF-1R by ELISA
50033179	3	ChEMBL_739944 (CHEMBL1763004)	Inhibition of MEK1
50033179	4	ChEMBL_739832 (CHEMBL1762892)	Inhibition of IGF-1R by ELISA
50033179	5	ChEMBL_739834 (CHEMBL1762894)	Inhibition of Abl
50033179	6	ChEMBL_739835 (CHEMBL1762895)	Inhibition of EGFR
50033179	7	ChEMBL_739836 (CHEMBL1762896)	Inhibition of cRaf
50033179	9	ChEMBL_739838 (CHEMBL1762898)	Inhibition of KDR
50033179	10	ChEMBL_739839 (CHEMBL1762899)	Inhibition of PDK1
50033179	11	ChEMBL_739840 (CHEMBL1762900)	Inhibition of PI3Kgamma
50033180	1	ChEMBL_740044 (CHEMBL1763104)	Inhibition of Aurora A
50033180	2	ChEMBL_740046 (CHEMBL1763106)	Inhibition of DYRK1a
50033181	1	ChEMBL_740055 (CHEMBL1763115)	Inhibition of PI3Kalpha
50033182	1	ChEMBL_740069 (CHEMBL1763129)	Agonist activity at human BRS3 by functional assay
50033182	2	ChEMBL_740056 (CHEMBL1763116)	Displacement of [125I]-[D-Tyr6, b-Ala11, Phe13, Nle14]-Bombesin (6-14) from human BRS3 by competitive binding assay
50033182	3	ChEMBL_740071 (CHEMBL1763131)	Agonist activity at human BRS3 expressed in HEK293AEQ cells using 10 uM dy-peptide by bioluminescence assay
50033182	4	ChEMBL_740070 (CHEMBL1763130)	Binding affinity to human BRS3
50033182	5	ChEMBL_740068 (CHEMBL1763128)	Agonist activity at mouse BRS3 by functional assay
50033183	1	ChEMBL_740157 (CHEMBL1763217)	Inhibition of CYP2C9 using fluorescent probe 7-methoxy-4-trifluoromethylcoumarin
50033183	2	ChEMBL_740158 (CHEMBL1763218)	Inhibition of CYP2D6 fluorescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin
50033183	3	ChEMBL_740159 (CHEMBL1763219)	Inhibition of CYP3A4 using fluorescent probe 7-benzyloxyquinoline and 7-benzyloxy-4-(trifluoromethyl)-coumarin)
50033183	4	ChEMBL_740154 (CHEMBL1763214)	Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production
50033183	5	ChEMBL_740155 (CHEMBL1763215)	Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production
50033184	1	ChEMBL_739736 (CHEMBL1763562)	Inhibition of PI3Kalpha
50033184	2	ChEMBL_739737 (CHEMBL1763563)	Inhibition of PI3Kbeta
50033184	3	ChEMBL_739738 (CHEMBL1763564)	Inhibition of PI3Kdelta
50033184	4	ChEMBL_739739 (CHEMBL1763565)	Inhibition of PI3Kgamma
50033184	5	ChEMBL_739655 (CHEMBL1763481)	Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46
50033184	6	ChEMBL_739735 (CHEMBL1763561)	Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473
50033184	7	ChEMBL_739654 (CHEMBL1763480)	Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay
50033184	8	ChEMBL_739741 (CHEMBL1763567)	Inhibition of c-Raf at 1 uM relative to control
50033184	9	ChEMBL_739742 (CHEMBL1763568)	Inhibition of KDR at 1 uM relative to control
50033184	10	ChEMBL_739743 (CHEMBL1763569)	Inhibition of CK1delta at 1 uM relative to control
50033184	11	ChEMBL_739744 (CHEMBL1763570)	Inhibition of DCAMKL3 at 1 uM relative to control
50033184	12	ChEMBL_739745 (CHEMBL1763571)	Inhibition of TGFR2 at 1 uM relative to control
50033185	1	ChEMBL_740084 (CHEMBL1763144)	Antagonist activity at human recombinant NK3 receptor expressed in CHO cells assessed as inhibition of NKB-induced increase of intracellular calcium level by aequorin bioluminescence assay
50033185	2	ChEMBL_740085 (CHEMBL1763145)	Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells
50033185	3	ChEMBL_740094 (CHEMBL1763154)	Binding affinity to rat NK3 receptor by radioligand binding assay
50033185	4	ChEMBL_740095 (CHEMBL1763155)	Binding affinity to human NK3 receptor by radioligand binding assay
50033185	5	ChEMBL_740096 (CHEMBL1763156)	Binding affinity to human NK2 receptor by radioligand binding assay
50033185	6	ChEMBL_740097 (CHEMBL1763157)	Binding affinity to human NK1 receptor by radioligand binding assay
50033185	7	ChEMBL_739982 (CHEMBL1763042)	Binding affinity to rat NK3 receptor
50033185	8	ChEMBL_740074 (CHEMBL1763134)	Binding affinity to human NK2 receptor
50033185	9	ChEMBL_740075 (CHEMBL1763135)	Inhibition of CYP3A4
50033185	10	ChEMBL_740076 (CHEMBL1763136)	Inhibition of CYP2D6
50033185	11	ChEMBL_740077 (CHEMBL1763137)	Inhibition of CYP1A2
50033185	12	ChEMBL_740078 (CHEMBL1763138)	Inhibition of CYP2C9
50033185	13	ChEMBL_740079 (CHEMBL1763139)	Inhibition of CYP2C19
50033185	14	ChEMBL_740080 (CHEMBL1763140)	Binding affinity to human NK1 receptor
50033186	1	ChEMBL_740179 (CHEMBL1763239)	Inhibition of Bcr/Abl by FRET-based Z-lyte assay
50033187	1	ChEMBL_740279 (CHEMBL1764225)	Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequorin as a reporter for G-protein-coupled receptor-mediated calcium signaling by bioluminescence assay
50033188	1	ChEMBL_740370 (CHEMBL1764428)	Desensitization of 5-oxo-ETE receptor in indo-1-labeled human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization
50033189	1	ChEMBL_740346 (CHEMBL1764347)	Inhibition of mushroom tyrosinase after 25 mins by spectrophotometry
50033190	1	ChEMBL_740347 (CHEMBL1764348)	Partial agonist activity at human PPARgamma expressed in CHO cells co-transfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by transactivation assay
50033190	2	ChEMBL_740349 (CHEMBL1764350)	Partial agonist activity at mouse PPARalpha expressed in CHO cells co-transfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by transactivation assay
50033190	3	ChEMBL_740363 (CHEMBL1764421)	Partial agonist activity at human PPARalpha expressed in CHO cells co-transfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by transactivation assay
50033191	1	ChEMBL_740451 (CHEMBL1764565)	Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry
50033191	2	ChEMBL_740466 (CHEMBL1764621)	Competitive inhibition of human recombinant MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry
50033191	3	ChEMBL_740467 (CHEMBL1764622)	Competitive inhibition of rat liver MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry
50033191	4	ChEMBL_740468 (CHEMBL1764623)	Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry
50033192	2	ChEMBL_740481 (CHEMBL1764636)	Inhibition of human cathepsin D
50033193	1	ChEMBL_740494 (CHEMBL1764649)	Agonist activity at human adenosine A3 receptor expressed in CHO cells
50033193	2	ChEMBL_740495 (CHEMBL1764650)	Agonist activity at human adenosine A1 receptor expressed in CHO cells
50033193	3	ChEMBL_740579 (CHEMBL1764842)	Agonist activity at human adenosine A2A receptor expressed in CHO cells
50033193	4	ChEMBL_740587 (CHEMBL1764850)	Displacement of [3H]-DPCPX from human adenosine A1 receptor after 1 hr
50033193	5	ChEMBL_740588 (CHEMBL1764851)	Displacement of [3H]ZM241385 from human adenosine A2A receptor after 1 hr
50033193	6	ChEMBL_740589 (CHEMBL1764852)	Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr
50033193	7	ChEMBL_740586 (CHEMBL1764849)	Inhibition of human adenosine A2B receptor expressed in CHO cells assessed as decrease in cellular cAMP level after 20 to 25 mins
50033193	8	ChEMBL_740580 (CHEMBL1764843)	Agonist activity at human adenosine A2B receptor expressed in CHO cells
50033193	9	ChEMBL_740581 (CHEMBL1764844)	Inhibition of CYP2C9
50033193	10	ChEMBL_740582 (CHEMBL1764845)	Inhibition of CYP2C19
50033193	11	ChEMBL_740583 (CHEMBL1764846)	Inhibition of CYP2D6
50033193	12	ChEMBL_740584 (CHEMBL1764847)	Inhibition of CYP3A4
50033193	13	ChEMBL_740585 (CHEMBL1764848)	Inhibition of human ERG
50033194	1	ChEMBL_742391 (CHEMBL1768949)	Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectroscopy
50033196	1	ChEMBL_741839 (CHEMBL1769984)	Inhibition of human DAT in HEK293 cells assessed as inhibition of [3H]dopamine uptake
50033196	2	ChEMBL_741840 (CHEMBL1769985)	Inhibition of human NET in HEK293 cells assessed as inhibition of [3H]norepinephrine uptake
50033196	3	ChEMBL_741841 (CHEMBL1768262)	Inhibition of human SERT in HEK293 cells assessed as inhibition of [3H]serotonin uptake
50033196	4	ChEMBL_741838 (CHEMBL1769983)	Antagonist activity at human alpha3beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux
50033196	5	ChEMBL_741842 (CHEMBL1768263)	Antagonist activity at human alpha4beta2 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux
50033196	6	ChEMBL_741894 (CHEMBL1768455)	Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux
50033197	1	ChEMBL_741994 (CHEMBL1768754)	Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting
50033197	4	ChEMBL_741999 (CHEMBL1768759)	Inhibition of P110gamma
50033197	5	ChEMBL_741996 (CHEMBL1768756)	Inhibition of hVPS34
50033197	7	ChEMBL_741907 (CHEMBL1768559)	Inhibition of PI4K beta
50033197	8	ChEMBL_741905 (CHEMBL1768557)	Inhibition of PI3K-C2beta
50033197	9	ChEMBL_741906 (CHEMBL1768558)	Inhibition of PI3K-C2alpha
50033197	10	ChEMBL_741993 (CHEMBL1768753)	Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting
50033197	11	ChEMBL_741908 (CHEMBL1768560)	Inhibition of PI4K alpha
50033198	1	ChEMBL_742005 (CHEMBL1768765)	Inhibition of human wild type ABL1 assessed as [gamma33P]ATP incorporation into poly-Ala-Glu-Lys-Tyr after 60 mins by microplate scintillation counting
50033198	2	ChEMBL_742006 (CHEMBL1768766)	Inhibition of human wild type KIT assessed as [gamma33P]ATP incorporation into polyGluTyr after 60 mins by microplate scintillation counting
50033198	3	ChEMBL_742007 (CHEMBL1768767)	Inhibition of human wild type PDGFRalpha assessed as [gamma33P]ATP incorporation into poly-Ala-Glu-Lys-Tyr after 60 mins by microplate scintillation counting
50033199	4	ChEMBL_742431 (CHEMBL1769079)	Inhibition of AKT1
50033199	5	ChEMBL_742432 (CHEMBL1769080)	Inhibition of ASK1
50033199	6	ChEMBL_742433 (CHEMBL1769081)	Inhibition of EGFR
50033199	7	ChEMBL_742434 (CHEMBL1769082)	Inhibition of GSK3B
50033199	9	ChEMBL_742436 (CHEMBL1769084)	Inhibition of PI3Kgamma
50033199	10	ChEMBL_742437 (CHEMBL1769085)	Inhibition of SYK
50033199	11	ChEMBL_742438 (CHEMBL1769086)	Inhibition of VEGFR2
50033199	13	ChEMBL_742330 (CHEMBL1768779)	Inhibition of aurora A
50033199	15	ChEMBL_742332 (CHEMBL1768781)	Inhibition of ALK5
50033199	16	ChEMBL_742333 (CHEMBL1768782)	Inhibition of ROCK1
50048833	7	ChEMBL_139744 (CHEMBL743997)	Binding activity against Muscarinic acetylcholine receptor in rat cortex, using [3H]QNB as a radioligand.
50001512	6	ChEMBL_60354 (CHEMBL672089)	Ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 of canine striatal membranes
50035854	6	ChEMBL_75907 (CHEMBL686427)	Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase
50035854	5	ChEMBL_75906 (CHEMBL689041)	Inhibitory activity of gastric proton-pump enzyme H+/K+ ATPase was determined at 50 uM
50001334	7	ChEMBL_28423 (CHEMBL642466)	Hexaglutamyl homologue inhibition activity against the AICAR formyltransferase was determined against L cell
50048834	1	ChEMBL_138395 (CHEMBL744151)	In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined
50048834	2	ChEMBL_138383 (CHEMBL749218)	Dissociation constant of the drug-Muscarinic acetylcholine receptor complex.
50048834	3	ChEMBL_139579 (CHEMBL741870)	In vitro inhibition of binding of (-)-[3H]-NMS to Muscarinic acetylcholine receptor of rat cerebral cortex was determined
50048835	6	ChEMBL_33142 (CHEMBL642097)	Binding affinity determined to alpha-1 adrenergic receptor of rat cerebral cortex using [3H]prazosin as radioligand
50048835	7	ChEMBL_32755 (CHEMBL641152)	Binding affinity to alpha-2 adrenergic receptor of rat cerebral cortex assayed using [3H]yohimbine as radioligand
50048835	8	ChEBML_32754	Binding affinity to the alpha-2 adrenergic receptor of rat cerebral cortex assayed using [3H]idazoxan as radioligand
50048835	2	ChEBML_32754	Binding affinity to the alpha-2 adrenergic receptor of rat cerebral cortex assayed using [3H]idazoxan as radioligand
50048835	5	ChEBML_32756	Binding affinity was determined against alpha-2 adrenergic receptor of rat cerebral cortex using [3H]idazoxan as radioligand
50048835	4	ChEBML_32757	Binding affinity was determined against alpha-2 adrenergic receptor of rat cerebral cortex using [3H]yohimbine as radioligand
50048835	9	ChEBML_32757	Binding affinity was determined against alpha-2 adrenergic receptor of rat cerebral cortex using [3H]yohimbine as radioligand
50048835	3	ChEBML_33142	Binding affinity determined to alpha-1 adrenergic receptor of rat cerebral cortex using [3H]prazosin as radioligand
50048835	10	ChEMBL_32754 (CHEMBL641151)	Binding affinity to the alpha-2 adrenergic receptor of rat cerebral cortex assayed using [3H]idazoxan as radioligand
50048835	1	ChEBML_32755	Binding affinity to alpha-2 adrenergic receptor of rat cerebral cortex assayed using [3H]yohimbine as radioligand
50048835	11	ChEMBL_32756 (CHEMBL641153)	Binding affinity was determined against alpha-2 adrenergic receptor of rat cerebral cortex using [3H]idazoxan as radioligand
50048836	1	ChEMBL_32634 (CHEMBL640540)	Binding affinity against alpha-2 adrenergic receptor in rat cerebral cortical membrane using [3H]yohimbine as radioligand.
50048836	2	ChEMBL_1505 (CHEMBL616337)	Binding affinity against 5-hydroxytryptamine 1A receptor in rat cerebral cortical membrane using [3H]-8-OH-DPAT as radioligand.
50033202	1	ChEMBL_742603 (CHEMBL1769446)	Agonist activity at rat GPR119 expressed in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay
50033202	2	ChEMBL_742672 (CHEMBL1769550)	Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate from rat GPR119 expressed in human HEK293 cells by liquid scintillation counting
50033202	3	ChEMBL_742602 (CHEMBL1769445)	Agonist activity at GPR119 in human HEK293 cells assessed as increase in cAMP level after 16 hrs by beta-lactamase reporter gene assay
50033202	4	ChEMBL_742671 (CHEMBL1769549)	Displacement of [3H]isopropyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate/tert-butyl 4-(1-(4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate from GPR119 in human HEK293 cells by liquid scintillation counting
50033203	2	ChEMBL_742675 (CHEMBL1769553)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50033203	3	ChEMBL_742677 (CHEMBL1769555)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells
50033203	4	ChEMBL_742678 (CHEMBL1769556)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cells
50033203	5	ChEMBL_742680 (CHEMBL1769558)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50033203	6	ChEMBL_742681 (CHEMBL1769559)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50033204	1	ChEMBL_742388 (CHEMBL1768946)	Inhibition of recombinant glucocerebrosidase in McIlvaine buffer at pH 5.2 after 10 mins by fluorometric analysis
50033204	2	ChEMBL_742389 (CHEMBL1768947)	Inhibition of recombinant glucocerebrosidase in McIlvaine buffer at pH 7.4 after 10 mins by fluorometric analysis
50033204	3	ChEMBL_742444 (CHEMBL1769092)	Competitive inhibition of recombinant glucocerebrosidase
50033204	4	ChEMBL_742452 (CHEMBL1769100)	Inhibition of yeast alpha-glucosidase
50033204	5	ChEMBL_742386 (CHEMBL1768944)	Inhibition of rice alpha-glucosidase
50033204	6	ChEMBL_742387 (CHEMBL1768945)	Inhibition of alpha-galactosidase from coffee beans
50033204	7	ChEMBL_742453 (CHEMBL1769101)	Inhibition of bovine liver beta-galactosidase
50033205	1	ChEMBL_742470 (CHEMBL1769118)	Inhibition of P38beta
50033205	2	ChEMBL_742471 (CHEMBL1769119)	Inhibition of ADCK3
50033205	3	ChEMBL_742472 (CHEMBL1769120)	Inhibition of CSNK1epsilon
50033205	4	ChEMBL_742473 (CHEMBL1769121)	Inhibition of DDR1
50033205	5	ChEMBL_742474 (CHEMBL1769122)	Inhibition of GAK
50033205	6	ChEMBL_742475 (CHEMBL1769123)	Inhibition of JNK1
50033205	7	ChEMBL_742476 (CHEMBL1769124)	Inhibition of JNK2
50033205	8	ChEMBL_742477 (CHEMBL1769125)	Inhibition of JNK3
50033205	9	ChEMBL_742525 (CHEMBL1769284)	Inhibition of NLK
50033205	10	ChEMBL_742526 (CHEMBL1769285)	Inhibition of RSK2
50033205	11	ChEMBL_742527 (CHEMBL1769286)	Inhibition of RSK4
50033205	12	ChEMBL_742528 (CHEMBL1769287)	Inhibition of STK36
50033205	13	ChEMBL_742454 (CHEMBL1769102)	Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillation counting
50033205	14	ChEMBL_742635 (CHEMBL1769478)	Inhibition of human CYP1A2
50033205	15	ChEMBL_742636 (CHEMBL1769479)	Inhibition of human CYP2C9
50033205	16	ChEMBL_742637 (CHEMBL1769480)	Inhibition of human CYP2C19
50033205	17	ChEMBL_742638 (CHEMBL1769481)	Inhibition of human CYP2D6
50033205	18	ChEMBL_742639 (CHEMBL1769482)	Inhibition of human CYP3A4
50033205	19	ChEMBL_742455 (CHEMBL1769103)	Inhibition of LCK
50033205	20	ChEMBL_742456 (CHEMBL1769104)	Inhibition of p38alpha
50035858	3	ChEMBL_35003 (CHEMBL649026)	Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes (Atrionatriuretic peptide receptor B)
50035858	4	ChEMBL_35004 (CHEMBL649027)	Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on mouse fibroblasts (NIH 3T3) cells (Atrionatriuretic peptide receptor C).
50035860	2	ChEMBL_149655 (CHEMBL756018)	In vitro binding affinity against Opioid receptors from bovine caudate nucleus determined in presence of [3H]- bremazocine (0.5 nM)
50033207	1	ChEMBL_741550 (CHEMBL1769385)	Inhibition of CYP1A2 in human liver microsomes
50033207	2	ChEMBL_741523 (CHEMBL1769306)	Inhibition of CYP2C9 in human liver microsomes
50033207	3	ChEMBL_741524 (CHEMBL1769307)	Inhibition of CYP2C19 in human liver microsomes
50033207	4	ChEMBL_741525 (CHEMBL1769308)	Inhibition of CYP2D6 in human liver microsomes
50033207	5	ChEMBL_741526 (CHEMBL1769309)	Inhibition of CYP3A4 in human liver microsomes
50033208	1	ChEMBL_741547 (CHEMBL1769382)	Transcriptional activation of human ERalpha receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response element-luciferase reporter gene assay
50033208	2	ChEMBL_741548 (CHEMBL1769383)	Transcriptional activation of human ERbeta receptor transfected in human U2OS cells assessed as increase of luciferase activity by estrogen response element-luciferase reporter gene assay
50033208	3	ChEMBL_741543 (CHEMBL1769326)	Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide recruitment after 1 hr by fluorescence polarization assay
50033208	4	ChEMBL_741542 (CHEMBL1769325)	Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide recruitment after 1 hr by fluorescence polarization assay
50033209	1	ChEMBL_741579 (CHEMBL1769414)	Inhibition of iNOS in LPS-stimulated mouse RAW 264.7 cells after 2 hrs by fluorescence plate reader analysis
50033209	2	ChEMBL_741580 (CHEMBL1769415)	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells treated 2 hrs before LPS challenge measured after 18 hrs by Griess reaction method
50033209	3	ChEMBL_741581 (CHEMBL1769416)	Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW 264.7 cells after 24 hrs by ELISA
50033210	1	ChEMBL_741723 (CHEMBL1769769)	Inhibition of CYP3A4
50033210	2	ChEMBL_741721 (CHEMBL1769767)	Inhibition of CYP2C9
50033210	3	ChEMBL_741722 (CHEMBL1769768)	Inhibition of CYP2C19
50033210	4	ChEMBL_741720 (CHEMBL1769766)	Inhibition of CYP1A2
50033210	5	ChEMBL_741719 (CHEMBL1769765)	Inhibition of CYP2D6
50033210	6	ChEMBL_741662 (CHEMBL1769654)	Binding affinity to histamine H1 receptor
50033211	1	ChEMBL_741750 (CHEMBL1769849)	Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay
50033212	1	ChEMBL_742192 (CHEMBL1768362)	Inhibition of human CYP11B2 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay
50033212	3	ChEMBL_742286 (CHEMBL1768619)	Inhibition of human CYP1A2 expressed in baculovirus-infected insect microsomes
50033212	4	ChEMBL_742209 (CHEMBL1768379)	Inhibition of human CYP2C19 expressed in baculovirus-infected insect microsomes
50033212	5	ChEMBL_742215 (CHEMBL1768385)	Inhibition of human CYP2B6 expressed in baculovirus-infected insect microsomes
50033212	6	ChEMBL_742212 (CHEMBL1768382)	Inhibition of human CYP2C9 expressed in baculovirus-infected insect microsomes
50033212	8	ChEMBL_742290 (CHEMBL1768623)	Inhibition of human placental CYP19 using [1beta-3H]androstenedione substrate
50033212	10	ChEMBL_742198 (CHEMBL1768368)	Inhibition of CYP1A2
50033212	11	ChEMBL_742194 (CHEMBL1768364)	Inhibition of human CYP11B1 expressed in hamster V79 MZh cells assessed as conversion of [4-14C]-11-deoxycorticosterone substrate by HPTLC assay
50033213	1	ChEMBL_742294 (CHEMBL1768627)	Inhibition of DDP4 at pH 7.4 preincubated with alpha-chymotrypsin up to 8 hrs
50033213	2	ChEMBL_742292 (CHEMBL1768625)	Inhibition of DDP4 at pH 2 preincubated for 10 mins
50033213	3	ChEMBL_742293 (CHEMBL1768626)	Inhibition of DDP4 at pH 7.4 preincubated for 10 mins
50033214	1	ChEMBL_741953 (CHEMBL1768605)	Inhibition of PI3Kalpha after 180 mins by luminescent assay
50033214	2	ChEMBL_741955 (CHEMBL1768607)	Binding affinity to CDK11 by high-throughput binding assay
50033214	3	ChEMBL_741959 (CHEMBL1768719)	Binding affinity to mTOR by high-throughput binding assay
50033214	4	ChEMBL_741962 (CHEMBL1768722)	Binding affinity to PIK3CA by high-throughput binding assay
50033214	5	ChEMBL_741964 (CHEMBL1768724)	Binding affinity to PIK3CB by high-throughput binding assay
50033215	1	ChEMBL_742120 (CHEMBL1769075)	Agonist activity at human dopamine D2long receptor expressed in HEK293 cells co-expressing Galphao1 assessed as incorporation of [35S]GTPgammaS into Galphao1 after 30 mins by scintillation counting
50033215	2	ChEMBL_742121 (CHEMBL1769076)	Agonist activity at human dopamine D2long receptor expressed in HEK293 cells co-expressing Galphai2 assessed as incorporation of [35S]GTPgammaS into Galphai2 after 30 mins by scintillation counting
50033215	3	ChEMBL_742111 (CHEMBL1769066)	Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine cerebral cortex after 60 mins
50033215	4	ChEMBL_742112 (CHEMBL1769067)	Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins
50033215	5	ChEMBL_742113 (CHEMBL1769068)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins
50033215	6	ChEMBL_742114 (CHEMBL1769069)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins
50033215	7	ChEMBL_742122 (CHEMBL1769182)	Agonist activity at human dopamine D3 receptor expressed in HEK293 cells co-expressing Galphao1 assessed as incorporation of [35S]GTPgammaS into Galphao1 after 30 mins by scintillation counting
50033215	8	ChEMBL_742124 (CHEMBL1769184)	Partial agonist activity at human dopamine D2long receptor expressed in CHO cells assessed as induction of [3H]thymidine incorporation after 2 hrs
50033215	9	ChEMBL_742125 (CHEMBL1769185)	Agonist activity at human dopamine D2long receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP accumulation by bioluminescence assay
50033215	10	ChEMBL_742218 (CHEMBL1768388)	Agonist activity at human dopamine D2long receptor expressed in CHO cells assessed as induction of [3H]thymidine incorporation after 2 hrs
50033215	11	ChEMBL_742220 (CHEMBL1768390)	Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as induction of [3H]thymidine incorporation after 2 hrs
50033215	12	ChEMBL_742224 (CHEMBL1768394)	Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins
50033215	13	ChEMBL_742117 (CHEMBL1769072)	Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins
50033215	14	ChEMBL_742118 (CHEMBL1769073)	Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins
50033216	1	ChEMBL_742240 (CHEMBL1768465)	Inhibition of [125I]Ghrelin binding to human Ghrelin receptor expressed in CHO-K1 cells after 60 mins by liquid scintillation spectrometry
50033217	1	ChEMBL_742139 (CHEMBL1769199)	Inhibition of MKK6
50033217	2	ChEMBL_742140 (CHEMBL1769200)	Inhibition of MSK1
50033217	3	ChEMBL_742141 (CHEMBL1769201)	Inhibition of MST2
50033217	4	ChEMBL_742142 (CHEMBL1769202)	Inhibition of NEK1
50033217	5	ChEMBL_742143 (CHEMBL1769203)	Inhibition of P38alpha
50033217	6	ChEMBL_742144 (CHEMBL1769204)	Inhibition of P38beta
50033217	7	ChEMBL_742145 (CHEMBL1769205)	Inhibition of P70S6K1
50033217	8	ChEMBL_742146 (CHEMBL1769206)	Inhibition of PDGFRalpha
50033217	9	ChEMBL_742148 (CHEMBL1769208)	Inhibition of PIM1
50033217	10	ChEMBL_742149 (CHEMBL1769209)	Inhibition of PKCbeta
50033217	11	ChEMBL_742150 (CHEMBL1769210)	Inhibition of PLK3
50033217	12	ChEMBL_742151 (CHEMBL1769211)	Inhibition of PRAK
50033217	13	ChEMBL_742152 (CHEMBL1769212)	Inhibition of PRK2
50033217	14	ChEMBL_742153 (CHEMBL1769213)	Inhibition of RET
50033217	17	ChEMBL_742156 (CHEMBL1769216)	Inhibition of ROS
50033217	18	ChEMBL_742157 (CHEMBL1769217)	Inhibition of RSK1
50033217	19	ChEMBL_742158 (CHEMBL1769218)	Inhibition of SGK1
50035861	2	ChEMBL_138638 (CHEMBL749269)	Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells
50033217	21	ChEMBL_742160 (CHEMBL1769220)	Inhibition of TAK1
50033217	22	ChEMBL_742161 (CHEMBL1769221)	Inhibition of TBK1
50033217	23	ChEMBL_742162 (CHEMBL1769222)	Inhibition of TIE2
50033217	24	ChEMBL_742163 (CHEMBL1769223)	Inhibition of YES
50033217	25	ChEMBL_742164 (CHEMBL1769224)	Inhibition of ZIPK
50033217	26	ChEMBL_742014 (CHEMBL1768877)	Inhibition of Lck
50033217	27	ChEMBL_742040 (CHEMBL1768903)	Inhibition of ERBB4
50033217	28	ChEMBL_742041 (CHEMBL1768904)	Inhibition of FAK
50033217	29	ChEMBL_742042 (CHEMBL1768905)	Inhibition of FER
50033217	30	ChEMBL_742043 (CHEMBL1768906)	Inhibition of FES
50033217	31	ChEMBL_742044 (CHEMBL1768907)	Inhibition of FGFR4
50033217	34	ChEMBL_742047 (CHEMBL1768910)	Inhibition of GSK3-beta
50033217	35	ChEMBL_742126 (CHEMBL1769186)	Inhibition of HCK
50033217	36	ChEMBL_742127 (CHEMBL1769187)	Inhibition of IDO1
50033217	37	ChEMBL_742128 (CHEMBL1769188)	Inhibition of IGF1R
50033217	40	ChEMBL_742131 (CHEMBL1769191)	Inhibition of IRAK4
50033217	41	ChEMBL_742132 (CHEMBL1769192)	Inhibition of JAK2
50033217	42	ChEMBL_742133 (CHEMBL1769193)	Inhibition of JAK3
50033217	43	ChEMBL_742134 (CHEMBL1769194)	Inhibition of JNK1
50033217	44	ChEMBL_742135 (CHEMBL1769195)	Inhibition of KDR
50033217	46	ChEMBL_742137 (CHEMBL1769197)	Inhibition of LYNA
50033217	47	ChEMBL_742138 (CHEMBL1769198)	Inhibition of MEK1
50033217	48	ChEMBL_742136 (CHEMBL1769196)	Inhibition of KIT
50033217	49	ChEMBL_742046 (CHEMBL1768909)	Inhibition of FMS
50033217	50	ChEMBL_742159 (CHEMBL1769219)	Inhibition of SRC
50033217	51	ChEMBL_742015 (CHEMBL1768878)	Inhibition of ERK1
50033217	52	ChEMBL_742016 (CHEMBL1768879)	Inhibition of ERK2
50033217	53	ChEMBL_742017 (CHEMBL1768880)	Inhibition of FYN
50033217	54	ChEMBL_742019 (CHEMBL1768882)	Inhibition of C-RAF
50033217	55	ChEMBL_742020 (CHEMBL1768883)	Inhibition of ZAP70
50033217	56	ChEMBL_742021 (CHEMBL1768884)	Inhibition of PKCtheta
50033217	57	ChEMBL_742022 (CHEMBL1768885)	Inhibition of ABL
50033217	58	ChEMBL_742023 (CHEMBL1768886)	Inhibition of AKT1
50033217	59	ChEMBL_742025 (CHEMBL1768888)	Inhibition of AURORA A
50033217	60	ChEMBL_742026 (CHEMBL1768889)	Inhibition of BMX
50033217	61	ChEMBL_742027 (CHEMBL1768890)	Inhibition of BTK
50033217	62	ChEMBL_742028 (CHEMBL1768891)	Inhibition of CAMK1D
50033217	63	ChEMBL_742029 (CHEMBL1768892)	Inhibition of CAMK4
50001351	7	ChEMBL_2349 (CHEMBL617423)	Binding affinity was determined against 5-hydroxytryptamine 2 receptor from male Sprague-Dawley rat brain.
50033217	66	ChEMBL_742032 (CHEMBL1768895)	Inhibition of CERK
50033217	68	ChEMBL_742035 (CHEMBL1768898)	Inhibition of COT
50033217	69	ChEMBL_742036 (CHEMBL1768899)	Inhibition of CSK
50033217	70	ChEMBL_742037 (CHEMBL1768900)	Inhibition of DYRK1A
50033217	71	ChEMBL_742038 (CHEMBL1768901)	Inhibition of EGFR
50033217	72	ChEMBL_742039 (CHEMBL1768902)	Inhibition of EPHB2
50033217	73	ChEMBL_741887 (CHEMBL1768448)	Inhibition of Itk after 40 mins by radiometric phosphate incorporation assay
50033218	1	ChEMBL_741863 (CHEMBL1768284)	Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pHOT DNA after 30 mins by agarose gel electrophoresis
50033219	1	ChEMBL_743674 (CHEMBL1767443)	Inverse agonist activity at SF-1
50033220	1	ChEMBL_743882 (CHEMBL1767825)	Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting
50033220	2	ChEMBL_743875 (CHEMBL1767818)	Antagonist activity at GnRH receptor by GnRH
50033220	3	ChEMBL_743881 (CHEMBL1767824)	Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP release after 40 mins by luminescence assay
50033221	1	ChEMBL_743885 (CHEMBL1767828)	Inhibition of human recombinant CAH7
50033222	1	ChEMBL_743889 (CHEMBL1767832)	Inhibition of electric eel Acetylcholinesterase
50033222	2	ChEMBL_743890 (CHEMBL1767833)	Inhibition of equine serum Butyrylcholinesterase
50033223	1	ChEMBL_744113 (CHEMBL1767474)	Inhibition of human PEPT1 expressed in Xenopus laevis oocytes assessed as inhibition of glycylsarcosine-induced transport-associated current at -60 mV membrane potential by two-electrode voltage clamp method
50033224	1	ChEMBL_742836 (CHEMBL1769839)	Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells
50033224	2	ChEMBL_742838 (CHEMBL1769841)	Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation after 15 mins
50033224	3	ChEMBL_742840 (CHEMBL1769843)	Displacement of [3H]CHA from adenosine A1 receptor in bovine brain membranes
50033225	1	ChEMBL_742890 (CHEMBL1769940)	Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method
50000852	4	ChEMBL_138764 (CHEMBL747850)	Binding affinity was determined against Muscarinic acetylcholine receptor using [3H]QNB as radioligand in rat brain.
50033226	1	ChEMBL_743092 (CHEMBL1768668)	Inhibition of purified recombinant c-Met after 60 mins by ELISA
50033226	3	ChEMBL_743111 (CHEMBL1768687)	Inhibition of Flt-1
50033226	4	ChEMBL_743112 (CHEMBL1768688)	Inhibition of KDR
50033226	5	ChEMBL_743113 (CHEMBL1768689)	Inhibition of c-Kit
50033226	6	ChEMBL_743114 (CHEMBL1768690)	Inhibition of PDGFRalpha
50033226	7	ChEMBL_743115 (CHEMBL1768691)	Inhibition of RET
50033226	8	ChEMBL_743116 (CHEMBL1768692)	Inhibition of EGFR
50033226	9	ChEMBL_743117 (CHEMBL1768693)	Inhibition of ErbB2
50033226	10	ChEMBL_743118 (CHEMBL1768694)	Inhibition of c-Src
50033226	11	ChEMBL_743119 (CHEMBL1768695)	Inhibition of Abl
50033226	12	ChEMBL_743120 (CHEMBL1768696)	Inhibition of EPH-A2
50033226	13	ChEMBL_743170 (CHEMBL1769163)	Inhibition of EPH-B2
50033226	14	ChEMBL_743171 (CHEMBL1769164)	Inhibition of IGF1R
50033226	15	ChEMBL_743172 (CHEMBL1769165)	Inhibition of FGFR1
50033227	1	ChEMBL_743261 (CHEMBL1769015)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorimetric method
50033227	2	ChEMBL_743262 (CHEMBL1769016)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorimetric method
50033228	1	ChEMBL_743328 (CHEMBL1767575)	Inhibition of mouse macrophage recombinant iNOS expressed in Escherichia coli by UV-vis spectrometric analysis
50033228	2	ChEMBL_743327 (CHEMBL1767574)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli by UV-vis spectrometric analysis
50033228	3	ChEMBL_743326 (CHEMBL1767573)	Inhibition of rat recombinant nNOS expressed in Escherichia coli by UV-vis spectrometric analysis
50033228	4	ChEMBL_743325 (CHEMBL1767572)	Inhibition of iNOS
50033228	5	ChEMBL_743324 (CHEMBL1767571)	Inhibition of eNOS
50033228	6	ChEMBL_743323 (CHEMBL1767570)	Inhibition of nNOS
50033228	7	ChEMBL_743332 (CHEMBL1767579)	Inhibition of nNOS expressed in human 293T cells assessed as nitrite formation after 8 hrs by Griess reaction
50048837	1	ChEMBL_2327 (CHEMBL617534)	Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand
50033230	2	ChEMBL_743383 (CHEMBL1767682)	Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay
50033230	4	ChEMBL_743385 (CHEMBL1767684)	Inhibition of mTOR by radiometric phosphate incorporation assay
50033230	6	ChEMBL_743387 (CHEMBL1767686)	Inhibition of CYP3A4
50048837	2	ChEMBL_2324 (CHEMBL617531)	Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand
50041180	3	ChEMBL_204725 (CHEMBL804865)	Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue
50041180	2	ChEMBL_204726 (CHEMBL804866)	In vitro inhibition against Steroid 5-alpha-reductase of whole rat ventral prostate tissue expressed as apparent inhibition constant
50001372	9	ChEMBL_204728 (CHEMBL805029)	In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates.
50001372	8	ChEMBL_204729 (CHEMBL805030)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in rat ventral prostates expressed as apparent inhibition constant; Range is 20-30
50001372	10	ChEMBL_204727 (CHEMBL804867)	In vitro inhibitory activity against 5-alpha reductase was determined in rat ventral prostates expressed as apparent inhibition constant
50001372	7	ChEMBL_204730 (CHEMBL805424)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in rat ventral prostates expressed as apparent inhibition constant; Range is 35-50
50033231	1	ChEMBL_743545 (CHEMBL1767986)	Inhibition of human DGAT1 expressed in CHO-K1 cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay
50033231	2	ChEMBL_743546 (CHEMBL1767987)	Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay
50033231	3	ChEMBL_743557 (CHEMBL1768057)	Inhibition of human DGAT1 expressed in CHO-K1 cells after 1 hr using [14C]palmitic acid by TLC analysis
50033231	4	ChEMBL_743558 (CHEMBL1768058)	Inhibition of human DGAT1 using [14C]palmitic acid by TLC analysis
50033231	5	ChEMBL_743559 (CHEMBL1768059)	Inhibition of human DGAT1 expressed in baculovirus infected Sf9 cells using [14C]oleoyl-CoA after 15 mins by TLC analysis
50033231	6	ChEMBL_743564 (CHEMBL1768064)	Inhibition of human DGAT1
50033231	7	ChEMBL_743592 (CHEMBL1768092)	Inhibition of human ACAT2 expressed in human HepG2 cells after incubated with compound for 15 mins measured after 1 hr using palmitoyl-1-14C-coenzyme A by TLC assay
50033231	8	ChEMBL_743476 (CHEMBL1767876)	Inhibition of CYP3A4
50033231	9	ChEMBL_743477 (CHEMBL1767877)	Inhibition of CYP2D6
50033231	10	ChEMBL_743478 (CHEMBL1767878)	Inhibition of CYP2C19
50033231	11	ChEMBL_743479 (CHEMBL1767879)	Inhibition of CYP2C9
50033231	12	ChEMBL_743539 (CHEMBL1767980)	Inhibition of human ACAT1 expressed in human HepG2 cells after incubated with compound for 15 mins measured after 1 hr using palmitoyl-1-14C-coenzyme A by TLC assay
50033231	13	ChEMBL_743541 (CHEMBL1767982)	Inhibition of human DGAT2 expressed in baculovirus infected Sf9 cells using palmitoyl-1-14C-coenzyme A by TLC assay
50035866	8	ChEMBL_30987 (CHEMBL645179)	In vitro inhibitory activity against horse liver Alcohol dehydrogenase
50035866	9	ChEMBL_30986 (CHEMBL645178)	Dissociation constant from Alcohol dehydrogenase
50035866	7	ChEMBL_30988 (CHEMBL645180)	In vitro inhibitory activity against horse liver Alcohol dehydrogenase (ADH)
50048838	1	ChEMBL_198192 (CHEMBL799120)	Inhibition of ADP by the compound in response of SEC
50048838	2	ChEMBL_198191 (CHEMBL799119)	Inhibition of AA+phentolamine by the compound in response of SEC
50048838	3	ChEMBL_198190 (CHEMBL799118)	Stimulatory activity against serotonin secretion (SEC).
50048838	4	ChEMBL_198193 (CHEMBL799121)	Inhibition of Arachidonic acid by the compound in response of SEC
50048838	5	ChEMBL_198194 (CHEMBL799122)	Inhibition of U-46,619 by the compound in response of SEC
50048838	6	ChEMBL_198195 (CHEMBL799123)	Inhibition of U-46,619 + phentolamine by the compound in response of SEC
50033232	2	ChEMBL_743596 (CHEMBL1768096)	Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader
50033232	3	ChEMBL_743595 (CHEMBL1768095)	Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader
50001178	6	ChEMBL_52212 (CHEMBL666681)	Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]LTD4 (0.2 nM)
50048839	2	ChEMBL_35596 (CHEMBL645260)	Inhibitory concentration that gave 50 percent displacement of specific binding of [3H]AII (2 nM) to Angiotensin ll receptor
50033232	6	ChEMBL_743611 (CHEMBL1768154)	Inhibition of human recombinant MMP3 after 60 mins by fluorescence plate reader
50033232	8	ChEMBL_743613 (CHEMBL1768156)	Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader
50033233	1	ChEMBL_743614 (CHEMBL1768157)	Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay
50033233	2	ChEMBL_743619 (CHEMBL1768162)	Binding affinity to human L3MBTL1 by chemiluminescent assay
50033233	3	ChEMBL_743696 (CHEMBL1767465)	Displacement of FAM-AHA-ARTKQTARK(Me)STGGKA-CO2H from human L3MBTL1 assessed as apparent dissociation constant after 20 mins by FP-displacement Assay
50033233	4	ChEMBL_743620 (CHEMBL1768163)	Binding affinity to L3MBTL3 by chemiluminescent assay
50033233	5	ChEMBL_743694 (CHEMBL1767463)	Binding affinity to PHF13 by chemiluminescent assay
50033233	6	ChEMBL_743691 (CHEMBL1767460)	Binding affinity to L3MBTL4 by chemiluminescent assay
50033234	1	ChEMBL_743699 (CHEMBL1767468)	Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	2	ChEMBL_743707 (CHEMBL1767521)	Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	3	ChEMBL_743698 (CHEMBL1767467)	Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	4	ChEMBL_743697 (CHEMBL1767466)	Inhibition of human HDAC2 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	5	ChEMBL_743700 (CHEMBL1767469)	Inhibition of human HDAC4 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	7	ChEMBL_743702 (CHEMBL1767471)	Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	8	ChEMBL_743703 (CHEMBL1767472)	Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	9	ChEMBL_743704 (CHEMBL1767518)	Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	10	ChEMBL_743705 (CHEMBL1767519)	Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033234	11	ChEMBL_743706 (CHEMBL1767520)	Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay
50033235	1	ChEMBL_743708 (CHEMBL1767522)	Binding affinity to human active site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration calorimetric assay
50033235	2	ChEMBL_743709 (CHEMBL1767523)	Binding affinity to human remote site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration calorimetric assay
50033236	1	ChEMBL_743712 (CHEMBL1767526)	Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay
50033236	2	ChEMBL_743711 (CHEMBL1767525)	Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay
50033237	1	ChEMBL_743896 (CHEMBL1767839)	Inhibition of human recombinant CDK2/cyclin E
50033237	2	ChEMBL_743897 (CHEMBL1767840)	Inhibition of human recombinant CDK5/p35
50033237	3	ChEMBL_743898 (CHEMBL1767841)	Inhibition of human recombinant CDK7/cyclin H/MAT1
50033237	4	ChEMBL_743899 (CHEMBL1767842)	Inhibition of human recombinant CDK9/cyclin T1
50033238	1	ChEMBL_743286 (CHEMBL1767485)	Agonist activity at P2Y4 receptor
50033238	2	ChEMBL_743287 (CHEMBL1767486)	Agonist activity at P2Y6 receptor
50033238	4	ChEMBL_743276 (CHEMBL1767475)	Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by scintillation proximity assay
50048840	1	ChEMBL_36468 (CHEMBL653121)	Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation
50033238	5	ChEMBL_743277 (CHEMBL1767476)	Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by scintillation proximity assay
50035873	2	ChEMBL_42758 (CHEMBL653728)	Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes
50033240	1	ChEMBL_743413 (CHEMBL1767767)	Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting
50033240	2	ChEMBL_743414 (CHEMBL1767768)	Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting
50033240	3	ChEMBL_743415 (CHEMBL1767769)	Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting
50033241	1	ChEMBL_743422 (CHEMBL1767776)	Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay
50033241	2	ChEMBL_743423 (CHEMBL1767777)	Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay
50033241	3	ChEMBL_743428 (CHEMBL1767782)	Agonist activity at rat CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay
50033241	4	ChEMBL_743486 (CHEMBL1767886)	Agonist activity at rat CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before forskolin challenge measured after 1 hr by HTRF assay
50033242	1	ChEMBL_743504 (CHEMBL1767945)	Inhibition of rat small intestinal isomaltase after 30 mins
50033242	2	ChEMBL_743500 (CHEMBL1767941)	Inhibition of rat small intestinal sucrase after 30 mins
50033242	3	ChEMBL_743502 (CHEMBL1767943)	Inhibition of rat small intestinal maltase after 30 mins
50033243	1	ChEMBL_743569 (CHEMBL1768069)	Inhibition of Mycobacterium tuberculosis ptpA
50033243	2	ChEMBL_743505 (CHEMBL1767946)	Inhibition of PTP1B
50033243	3	ChEMBL_743570 (CHEMBL1768070)	Inhibition of Mycobacterium tuberculosis ptpB
50033243	4	ChEMBL_743506 (CHEMBL1767947)	Inhibition of human Cdc25A
50033243	5	ChEMBL_743507 (CHEMBL1767948)	Inhibition of human Cdc25B
50033243	6	ChEMBL_743508 (CHEMBL1767949)	Inhibition of human Cdc25C
50033243	7	ChEMBL_743510 (CHEMBL1767951)	Inhibition of SHP-2
50033243	8	ChEMBL_743565 (CHEMBL1768065)	Inhibition of PRL-3
50033243	9	ChEMBL_743568 (CHEMBL1768068)	Inhibition of VHR
50033244	1	ChEMBL_743583 (CHEMBL1768083)	Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Dixon plot analysis
50033244	2	ChEMBL_743584 (CHEMBL1768084)	Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as a substrate by Lineweaver-Burk analysis
50033244	3	ChEMBL_743585 (CHEMBL1768085)	Inhibition of bovine pancreatic RNase A at pH 5.9 by spectrophotometric method
50035875	8	ChEMBL_36893 (CHEMBL648683)	In vitro inhibition of Angiotensin I converting enzyme in Hog plasma
50001236	6	ChEMBL_206137 (CHEMBL814094)	Inhibitory activity against subtilisin
50001236	5	ChEMBL_216465 (CHEMBL881103)	Inhibitory activity against alpha-chymotrypsin
50001236	7	ChEMBL_34110 (CHEMBL649739)	Inhibitory activity against alpha-chymotrypsin
50001436	5	ChEMBL_52226 (CHEMBL666490)	Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes.
50033246	1	ChEMBL_743719 (CHEMBL1767533)	Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins
50033246	2	ChEMBL_743720 (CHEMBL1767534)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins
50033246	3	ChEMBL_743721 (CHEMBL1767535)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins
50033246	4	ChEMBL_743722 (CHEMBL1767536)	Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins
50033246	5	ChEMBL_743726 (CHEMBL1767540)	Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
50033246	7	ChEMBL_743730 (CHEMBL1767544)	Binding affinity to human vasopressin V1b receptor expressed CHO cells after 1 hr by spectrofluorimetry analysis
50000861	4	ChEMBL_59611 (CHEMBL670947)	Agonistic activity against calf striatal Dopamine receptor using [3H]- ADTN radioligand
50000861	5	ChEMBL_58644 (CHEMBL666358)	Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radioligand
50048841	1	ChEMBL_162216 (CHEMBL767224)	Inhibition of Protein Kinase C (PKC) isolated from HL-60 human promyelocytic leukemia cells
50048842	1	ChEBML_2163	Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.
50048842	3	ChEMBL_2323 (CHEMBL617530)	Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.
50048842	2	ChEBML_2323	Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery.
50048842	4	ChEMBL_2163 (CHEMBL617152)	Antagonistic activity against 5-hydroxytryptamine 2 receptor on rat frontal cortex membrane.
50033248	1	ChEMBL_743931 (CHEMBL1767925)	Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion
50033248	2	ChEMBL_743932 (CHEMBL1767926)	Inhibition of rat recombinant FAAH expressed in Escherichia coli assessed as [14C]-labeled oleamide to oleic acid conversion
50033249	1	ChEMBL_744044 (CHEMBL1768149)	Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting
50033249	2	ChEMBL_742779 (CHEMBL1769738)	Inhibition of CYP1A2 in human liver microsomes
50033249	3	ChEMBL_742780 (CHEMBL1769739)	Inhibition of CYP3A4 in human liver microsomes
50033249	4	ChEMBL_742781 (CHEMBL1769740)	Inhibition of CYP2C9 in human liver microsomes
50033249	5	ChEMBL_742782 (CHEMBL1769741)	Inhibition of CYP2C19 in human liver microsomes
50033249	6	ChEMBL_742783 (CHEMBL1769742)	Inhibition of CYP2D6 in human liver microsomes
50033250	1	ChEMBL_742791 (CHEMBL1769750)	Inhibition of human AChE incubated with compounf for 5 mins before addition of substrate acetylthiocholine iodide by Ellman's method
50033250	2	ChEMBL_742792 (CHEMBL1769751)	Inhibition of equine BChE incubated with compounf for 5 mins before addition of substrate S-butyrylthiocholine iodide by Ellman's method
50033251	1	ChEMBL_742802 (CHEMBL1769805)	Inhibition of tyrosinase activity in alpha-MSH-stimulated mouse B16 cells using L-tyrosine as substrate
50033252	1	ChEMBL_742803 (CHEMBL1769806)	Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes
50033252	2	ChEMBL_742804 (CHEMBL1769807)	Inhibition of human 17,20 lyase activity
50033252	3	ChEMBL_742805 (CHEMBL1769808)	Inhibition of human CYP3A4 after 30 mins
50033253	1	ChEMBL_742953 (CHEMBL1768320)	Inhibition of human recombinant COX-2 after 2 mins by fluorescence assay
50033253	2	ChEMBL_742954 (CHEMBL1768321)	Inhibition of human recombinant soluble epoxide hydrolase after 10 mins by fluorescent-based assay
50001197	5	ChEMBL_215028 (CHEMBL820879)	Inhibition of [3H]arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor
50033255	1	ChEMBL_743052 (CHEMBL1768523)	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells
50033255	2	ChEMBL_743053 (CHEMBL1768524)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay
50033256	1	ChEMBL_743527 (CHEMBL1767968)	Inhibition of Yersinia pestis outer protein H expressed in Escherichia coli after 15 to 20 mins
50033256	2	ChEMBL_743530 (CHEMBL1767971)	Inhibition of human PTP1B
50033256	3	ChEMBL_743531 (CHEMBL1767972)	Inhibition of human leukocyte antigen related phosphatase
50033256	4	ChEMBL_743532 (CHEMBL1767973)	Inhibition of human DUSP14
50033256	5	ChEMBL_743533 (CHEMBL1767974)	Inhibition of human DUSP22
50033257	1	ChEMBL_743646 (CHEMBL1768189)	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells
50033257	2	ChEMBL_743647 (CHEMBL1768190)	Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells
50000863	7	ChEMBL_147494 (CHEMBL754241)	Opioid receptors antagonist activity in smooth-muscle tissue mouse vas deferens (MVD)
50000863	6	ChEMBL_149658 (CHEMBL756021)	Opioid receptors antagonist activity in smooth-muscle tissue of guinea pig ileum (GPI)
50033258	1	ChEMBL_743854 (CHEMBL1767754)	Competitive inhibition of human ASK1 by Lineweaver-Burk plot analysis
50033258	2	ChEMBL_743863 (CHEMBL1767806)	Competitive inhibition of human ASK1
50033259	1	ChEMBL_743865 (CHEMBL1767808)	Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting
50033259	2	ChEMBL_743866 (CHEMBL1767809)	Inhibition of human URAT1 expressed in human MDCK cells
50033261	1	ChEMBL_742811 (CHEMBL1769814)	Binding affinity to JNK1 in presence of ATP
50033261	2	ChEMBL_744057 (CHEMBL1768207)	Inhibition of JNK1 by TR-FRET assay
50033261	3	ChEMBL_742812 (CHEMBL1769815)	Binding affinity to JNK1 in presence of peptide JIP1
50033261	4	ChEMBL_744058 (CHEMBL1768208)	Displacement of biotin-labeled JIP1 peptide from JNK1 by DELFIA assay
50033261	5	ChEMBL_742816 (CHEMBL1769819)	Inhibition of TNF-alpha-induced c-Jun phosphorylation in human HeLa cells by TR-FRET assay
50033261	6	ChEMBL_742810 (CHEMBL1769813)	Binding affinity to JNK2
50033263	1	ChEMBL_742989 (CHEMBL1768404)	Inhibition of c-SRC
50033263	2	ChEMBL_743061 (CHEMBL1768532)	Inhibition of c-SRC assessed as residual activity using KVEKIGEGYYGVVYK as peptide substrate after 20 mins by scintillation counting
50033264	1	ChEMBL_743064 (CHEMBL1768535)	Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay
50033264	2	ChEMBL_743068 (CHEMBL1768539)	Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay
50001097	3	ChEMBL_158103 (CHEMBL762412)	Inhibition of human platelet Prostaglandin G/H synthase
50033266	1	ChEMBL_744532 (CHEMBL1772553)	Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting
50033267	1	ChEMBL_744536 (CHEMBL1772557)	Partial antagonist activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay
50033267	2	ChEMBL_744534 (CHEMBL1772555)	Ago-Positive allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as effect on glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay
50033267	4	ChEMBL_744538 (CHEMBL1772559)	Positive allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as effect on glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay
50033267	3	ChEMBL_744540 (CHEMBL1772561)	Negative allosteric modulator activity at mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux preincubated for 140 secs before glutamate challenge by calcium fluorescence assay
50033267	5	ChEMBL_744541 (CHEMBL1772562)	Positive allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as increase in glutamate induced response
50033267	6	ChEMBL_744543 (CHEMBL1772564)	Negative allosteric modulator activity at rat mGluR5 receptor expressed in HEK293A cells
50033267	7	ChEMBL_744544 (CHEMBL1772565)	Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting
50033268	1	ChEMBL_744647 (CHEMBL1772668)	Inhibition of JNK3 assessed as formation of phospho-Thr71-ATF-2 from biotinylated-ATF2 by HTRF assay
50033269	1	ChEMBL_744655 (CHEMBL1772676)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033269	2	ChEMBL_744656 (CHEMBL1772677)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50033269	3	ChEMBL_744657 (CHEMBL1772678)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma scintillation counting
50033270	1	ChEMBL_744662 (CHEMBL1772683)	Agonist activity at human recombinant GPR109A receptor expressed in CHO-K1 cells after 60 mins by [35S]GTPgammaS binding assay
50033270	2	ChEMBL_744661 (CHEMBL1772682)	Displacement of [3H]nicotinic acid from human GPR109A receptor
50033271	1	ChEMBL_744889 (CHEMBL1772910)	Antagonist activity at human muscarinic M4 receptor
50033271	2	ChEMBL_744890 (CHEMBL1772911)	Inhibition of human ERG by patch-clamp method
50033271	3	ChEMBL_744742 (CHEMBL1772763)	Agonist activity at human 5HT2C receptor highly expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR assay
50033271	4	ChEMBL_744737 (CHEMBL1772758)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells by inositol phosphate accumulation assay
50033271	5	ChEMBL_744893 (CHEMBL1772914)	Agonist activity at dog 5HT2C receptor
50033271	6	ChEMBL_744736 (CHEMBL1772757)	Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting
50033271	7	ChEMBL_744733 (CHEMBL1772754)	Agonist activity at human 5HT2B receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay
50033271	8	ChEMBL_744880 (CHEMBL1772901)	Binding affinity to muscarinic M1 receptor
50033271	9	ChEMBL_744881 (CHEMBL1772902)	Binding affinity to muscarinic M3 receptor
50033271	10	ChEMBL_744882 (CHEMBL1772903)	Binding affinity to muscarinic M4 receptor
50033271	11	ChEMBL_744883 (CHEMBL1772904)	Binding affinity to muscarinic M5 receptor
50033271	12	ChEMBL_744884 (CHEMBL1772905)	Binding affinity to 5-HT3 receptor
50033271	13	ChEMBL_744885 (CHEMBL1772906)	Binding affinity to 5-HT6 receptor
50033271	14	ChEMBL_744746 (CHEMBL1772767)	Agonist activity at human recombinant 5HT2A receptor expressed in Swiss mouse 3T3 cells increase of fluorescence based calcium mobilization by FLIPR assay
50033271	15	ChEMBL_744732 (CHEMBL1772753)	Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay
50033271	16	ChEMBL_744729 (CHEMBL1772750)	Agonist activity at human 5HT2C receptor expressed in CHO-K1 cells assessed as increase of fluorescence based calcium mobilization by FLIPR assay
50033271	17	ChEMBL_744743 (CHEMBL1772764)	Agonist activity at human 5HT2C receptor expressed in Swiss mouse 3T3 cells with low expression increase of fluorescence based calcium mobilization by FLIPR assay
50033271	18	ChEMBL_744739 (CHEMBL1772760)	Agonist activity at human 5HT2B receptor expressed in HEK293 cells by inositol phosphate accumulation assay
50033271	19	ChEMBL_744901 (CHEMBL1772922)	Agonist activity at 5HT2A receptor in dog femoral artery
50033271	20	ChEMBL_744806 (CHEMBL1772827)	Binding affinity to human ERG
50033271	21	ChEMBL_744798 (CHEMBL1772819)	Inhibition of CYP1A2
50033271	22	ChEMBL_744799 (CHEMBL1772820)	Inhibition of CYP2C9
50033271	23	ChEMBL_744800 (CHEMBL1772821)	Inhibition of CYP2C19
50033271	24	ChEMBL_744801 (CHEMBL1772822)	Inhibition of CYP2D6
50033271	25	ChEMBL_744802 (CHEMBL1772823)	Inhibition of CYP3A4
50033272	1	ChEMBL_744969 (CHEMBL1771984)	Inhibition of human transglutaminase 2 using ZGBC as a substrate after 30 to 60 mins by fluorometric assay
50033272	2	ChEMBL_744966 (CHEMBL1771981)	Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay
50033273	1	ChEMBL_744971 (CHEMBL1771986)	Inhibition of AChE-induced amyloid beta aggregation
50033273	2	ChEMBL_744972 (CHEMBL1771987)	Inhibition of BChE
50033274	1	ChEMBL_744973 (CHEMBL1771988)	Inhibition of human serum AChE
50033274	2	ChEMBL_744974 (CHEMBL1771989)	Inhibition of human serum BuChE
50033275	1	ChEMBL_744985 (CHEMBL1772000)	Inhibition of Triosephosphate isomerase
50033275	2	ChEMBL_744992 (CHEMBL1772007)	Inhibition of rabbit cytosolic phosphoglucose isomerase
50033275	3	ChEMBL_744988 (CHEMBL1772003)	Inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase
50033275	5	ChEMBL_744987 (CHEMBL1772002)	Inhibition of Francisella tularensis N-terminal hexahistidine-tagged arabinose phosphate isomerase expressed in Escherichia coli BL21(DE3) after 3 hrs
50033275	4	ChEMBL_744989 (CHEMBL1772004)	Inhibition of Mycobacterium tuberculosis rpiB
50033275	6	ChEMBL_744984 (CHEMBL1771999)	Inhibition of sheep 6-phosphogluconate dehydrogenase
50033276	1	ChEMBL_745045 (CHEMBL1772121)	Displacement of [125I]-CGRP from human recombinant CGRP receptor
50033276	4	ChEMBL_745049 (CHEMBL1772125)	Inhibition of human ERG
50033277	1	ChEMBL_745055 (CHEMBL1772131)	Inhibition of human ASIC3 expressed in HEK293 cells assessed as inhibition of acid-evoked current by manual patch-clamp electrophysiology assay
50033277	3	ChEMBL_745057 (CHEMBL1772133)	Binding affinity to human ERG
50033278	1	ChEMBL_745193 (CHEMBL1772424)	Agonist activity at human GPR119 expressed in CHO cells co-expressing Galpha15 assessed as increase of intracellular cAMP accumulation after 60 mins by HTRF assay
50033278	2	ChEMBL_745194 (CHEMBL1772425)	Agonist activity at mouse GPR119 expressed in CHO cells co-expressing Galpha15 assessed as increase of intracellular cAMP accumulation after 60 mins by HTRF assay
50033278	3	ChEMBL_744146 (CHEMBL1771845)	Inhibition of human ERG
50033278	4	ChEMBL_744151 (CHEMBL1771850)	Inhibition of human ERG by patch clamp technique
50033279	1	ChEMBL_744157 (CHEMBL1771856)	Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells
50033279	2	ChEMBL_744158 (CHEMBL1771857)	Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells
50033279	3	ChEMBL_744161 (CHEMBL1771860)	Displacement of [3H]Ketanserin from pig 5-HT2 receptor
50033279	4	ChEMBL_744155 (CHEMBL1771854)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in pig striatal membranes
50033279	5	ChEMBL_744156 (CHEMBL1771855)	Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells
50033279	6	ChEMBL_744169 (CHEMBL1771926)	Agonist activity at human dopamine D3 receptor expressed in dhfr-deficient CHO cells assessed as [3H]thymidine incorporation
50033279	7	ChEMBL_744202 (CHEMBL1771959)	Binding affinity to dopamine D3 receptor
50033280	1	ChEMBL_744206 (CHEMBL1771963)	Antagonist activity at NPY Y1 receptor in human SK-N-MC cells assessed as inhibition of NPY-induced calcium mobilization by FLIPR assay
50033280	2	ChEMBL_744205 (CHEMBL1771962)	Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells
50033280	3	ChEMBL_744204 (CHEMBL1771961)	Displacement of [125]sauvagin from rat recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells
50033280	4	ChEMBL_744223 (CHEMBL1772030)	Binding affinity to human NPY Y2 receptor
50033280	5	ChEMBL_744224 (CHEMBL1772031)	Binding affinity to human NPY Y5 receptor
50033280	6	ChEMBL_744265 (CHEMBL1772072)	Binding affinity to CRHR
50033282	1	ChEMBL_744272 (CHEMBL1772079)	Inhibition of human ICMT incubated with N-Acetyl-S-farnesyl-L-cysteine substrate for 5 mins followed by addition of [14C]-SAM measured after 30 mins by liquid scintillation counting
50033283	1	ChEMBL_744275 (CHEMBL1772082)	Inhibition of full length HDAC2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay
50033283	2	ChEMBL_744274 (CHEMBL1772081)	Inhibition of full length HDAC3/NCoR2 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay
50033283	3	ChEMBL_744276 (CHEMBL1772083)	Inhibition of full length HDAC8 assessed as 7-amino-4-methylcoumarin release from fluorophore conjugated substrate after 5 mins by fluorescence assay
50033284	1	ChEMBL_744405 (CHEMBL1772359)	Inhibition of electric eel AChE by Ellman's method
50033284	2	ChEMBL_744406 (CHEMBL1772360)	Inhibition of equine serum BChE by Ellman's method
50033285	1	ChEMBL_744407 (CHEMBL1772361)	Binding affinity to human MT1 receptor
50033285	2	ChEMBL_744408 (CHEMBL1772362)	Binding affinity to human MT2 receptor
50033285	3	ChEMBL_744409 (CHEMBL1772363)	Binding affinity to human MT3 receptor
50033285	4	ChEMBL_744409 (CHEMBL1772363)	Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2
50033286	1	ChEMBL_744414 (CHEMBL1772368)	Inhibition of human leukotriene A4 hydrolase
50033287	1	ChEMBL_744419 (CHEMBL1772373)	Inhibition of Staphylococcus aureus MraY after 30 mins
50033288	1	ChEMBL_744565 (CHEMBL1772586)	Inhibition of ovine COX1 after 5 mins by enzyme immunoassay
50033288	2	ChEMBL_744566 (CHEMBL1772587)	Inhibition of ovine COX2 after 5 mins by enzyme immunoassay
50033289	1	ChEMBL_744599 (CHEMBL1772620)	Displacement of [125I]dynorphin from kappa opioid receptor in BALB/c mouse brain membrane by liquid scintillation counting
50033290	1	ChEMBL_744748 (CHEMBL1772769)	Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation counting
50033292	1	ChEMBL_745084 (CHEMBL1772210)	Inhibition of CETP
50033292	2	ChEMBL_745085 (CHEMBL1772211)	Displacement of [35S]MK499 from human ERG expressed in HEK cells
50033293	1	ChEMBL_745140 (CHEMBL1772319)	Inhibition of human recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay
50033293	2	ChEMBL_745141 (CHEMBL1772320)	Inhibition of human BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay
50033293	3	ChEMBL_745143 (CHEMBL1772322)	Inhibition of ChoK in HT29 cells using [methyl-14C]choline chloride as substrate after 14 hrs by radiography
50033293	4	ChEMBL_745145 (CHEMBL1772324)	Inhibition of bovine AChE at 30 nM using S-acetylthiocholine as as substrate by Lineweaver-Burk plot analysis
50033293	5	ChEMBL_745136 (CHEMBL1772315)	Inhibition of equine BChE at 10 uM after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay
50033293	6	ChEMBL_745138 (CHEMBL1772317)	Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay
50033293	7	ChEMBL_745139 (CHEMBL1772318)	Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay
50033294	1	ChEMBL_745218 (CHEMBL1772494)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr
50033294	2	ChEMBL_745217 (CHEMBL1772493)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr
50033294	3	ChEMBL_744186 (CHEMBL1771943)	Inhibition of rat SGLT2
50033295	1	ChEMBL_744228 (CHEMBL1772035)	Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	2	ChEMBL_744230 (CHEMBL1772037)	Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	3	ChEMBL_744227 (CHEMBL1772034)	Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	4	ChEMBL_744200 (CHEMBL1771957)	Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	5	ChEMBL_744201 (CHEMBL1771958)	Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	6	ChEMBL_744229 (CHEMBL1772036)	Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabeled kinase assay
50033295	7	ChEMBL_744237 (CHEMBL1772044)	Binding affinity to human PIP5K2C 
50033295	8	ChEMBL_744235 (CHEMBL1772042)	Binding affinity to human Dyrk1B 
50033295	9	ChEMBL_744232 (CHEMBL1772039)	Binding affinity to human Clk2 
50033295	10	ChEMBL_744238 (CHEMBL1772045)	Binding affinity to human PIK3C2B
50033295	11	ChEMBL_744240 (CHEMBL1772047)	Binding affinity to human PIK3CG 
50033295	12	ChEMBL_744242 (CHEMBL1772049)	Binding affinity to human Erk8 
50033295	13	ChEMBL_744241 (CHEMBL1772048)	Binding affinity to human PIK4CB 
50033295	14	ChEMBL_744236 (CHEMBL1772043)	Binding affinity to human Dyrk2 
50033295	15	ChEMBL_744233 (CHEMBL1772040)	Binding affinity to human Clk4 
50033295	16	ChEMBL_744199 (CHEMBL1771956)	Inhibition of Dyrk1A kinase
50033295	17	ChEMBL_744234 (CHEMBL1772041)	Binding affinity to human Dyrk1A 
50033295	18	ChEMBL_744231 (CHEMBL1772038)	Binding affinity to human Clk1 
50033295	19	ChEMBL_744239 (CHEMBL1772046)	Binding affinity to human PIK3C2G
50033295	20	ChEMBL_744243 (CHEMBL1772050)	Binding affinity to human Mek5 
50033295	21	ChEMBL_744244 (CHEMBL1772051)	Binding affinity to human Ysk4 
50033296	1	ChEMBL_744250 (CHEMBL1772057)	Inhibition of rat small intestinal maltase after 30 mins by glucose-oxidase method
50033296	2	ChEMBL_744251 (CHEMBL1772058)	Inhibition of rat small intestinal sucrase after 30 mins by glucose-oxidase method
50033296	3	ChEMBL_744252 (CHEMBL1772059)	Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase method
50033297	2	ChEMBL_744259 (CHEMBL1772066)	Inhibition of MMP1
50033297	3	ChEMBL_744260 (CHEMBL1772067)	Inhibition of MMP2
50033297	4	ChEMBL_744261 (CHEMBL1772068)	Inhibition of MMP3
50033297	5	ChEMBL_744262 (CHEMBL1772069)	Inhibition of MMP7
50033297	7	ChEMBL_744288 (CHEMBL1772145)	Inhibition of MMP13
50033297	9	ChEMBL_744290 (CHEMBL1772147)	Inhibition of ADAM10
50033297	10	ChEMBL_744255 (CHEMBL1772062)	Inhibition of TACE
50033298	1	ChEMBL_744294 (CHEMBL1772151)	Displacement of [3H]histamine from human histamine H4 receptor
50033298	2	ChEMBL_744295 (CHEMBL1772152)	Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as effect on forskolin-induced cAMP accumulation after 6 hrs
50033299	1	ChEMBL_744350 (CHEMBL1772256)	Competitive inhibition of red kidney bean PAP using para-nitrophenol as substrate at pH 4.9 preincubated for 10 mins by UV-visible spectrophotometry
50033301	1	ChEMBL_744641 (CHEMBL1772662)	Inhibition of DPP8 assessed as p-nitrophenol release after 1 hr
50033301	2	ChEMBL_744643 (CHEMBL1772664)	Inhibition of DPP4 assessed as p-nitrophenol release after 1 hr
50033302	1	ChEMBL_744786 (CHEMBL1772807)	Inhibition of Thermus aquaticus taq polymerase
50033302	2	ChEMBL_744787 (CHEMBL1772808)	Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER green dye based TRAP
50033303	1	ChEMBL_744865 (CHEMBL1772886)	Inhibition of Escherichia coli recombinant ribonuclease H after 30 mins by FRET quenching assay
50033304	1	ChEMBL_744869 (CHEMBL1772890)	Inhibition of human MMP2
50033304	2	ChEMBL_744870 (CHEMBL1772891)	Inhibition of human MMP8
50033304	4	ChEMBL_744872 (CHEMBL1772893)	Inhibition of human MMP13
50033304	5	ChEMBL_744873 (CHEMBL1772894)	Inhibition of human MMP1
50033305	1	ChEMBL_744941 (CHEMBL1771900)	Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetry
50033306	1	ChEMBL_744949 (CHEMBL1771908)	Inhibition of human MMP-1
50033306	2	ChEMBL_744950 (CHEMBL1771909)	Inhibition of human MMP-2
50033306	3	ChEMBL_744951 (CHEMBL1771910)	Inhibition of human MMP-3
50033306	5	ChEMBL_744952 (CHEMBL1771911)	Inhibition of human MMP-7
50033306	6	ChEMBL_744953 (CHEMBL1771912)	Inhibition of human MMP-8
50035881	2	ChEMBL_30721 (CHEMBL646487)	Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680
50033306	8	ChEMBL_744955 (CHEMBL1771914)	Inhibition of human MMP-13
50033307	1	ChEMBL_745158 (CHEMBL1772337)	Antagonist activity at mouse P2Y14 expressed in human HEK cells coexpressing Galphai5 assessed as inhibition of UDP-glucose stimulated calcium release by FLIPR assay
50033307	2	ChEMBL_745160 (CHEMBL1772391)	Displacement of [35S]MK-0499 from human ERG
50033308	1	ChEMBL_744131 (CHEMBL1771830)	Antagonist activity at human adenosine A3 receptor
50001452	3	ChEMBL_36488 (CHEMBL651556)	Concentration required to 50% inhibition in specific binding of [125- I]A-II to Angiotensin II receptor from rat uterine membrane
50033310	1	ChEMBL_745322 (CHEMBL1775397)	Activation of FFA1 in mouse islets assessed as glucose-dependent insulin secretion
50048843	1	ChEMBL_122444 (CHEMBL729495)	In vitro inhibitory activity against Monoamine oxidase in baboon brain was determined
50035884	2	ChEMBL_158139 (CHEMBL760771)	In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leukemia (RBL-1) cells
50033312	2	ChEMBL_745281 (CHEMBL1775313)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay
50033312	3	ChEMBL_745285 (CHEMBL1775317)	Agonist activity at muscarinic M3 receptor in guinea pig trachea assessed as bronchorelaxation activity in presence of propranolol
50033312	4	ChEMBL_745287 (CHEMBL1775319)	Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as bronchorelaxation activity against histamine-induced contraction
50033313	1	ChEMBL_745344 (CHEMBL1775464)	Allosteric modulation at rat M1 receptor expressed in CHO cells by calcium mobilization assay
50033313	2	ChEMBL_745347 (CHEMBL1775467)	Agonist activity at M2 receptor
50033313	3	ChEMBL_745348 (CHEMBL1775468)	Agonist activity at M3 receptor
50033313	4	ChEMBL_745349 (CHEMBL1775469)	Agonist activity at M4 receptor
50033313	5	ChEMBL_745350 (CHEMBL1775470)	Agonist activity at M5 receptor
50033314	1	ChEMBL_745407 (CHEMBL1775563)	Inhibition of clostridium botulinum Botulinum neurotoxin type A light chain at 20 uM
50033315	1	ChEMBL_745420 (CHEMBL1775576)	Inhibition of HSP90 dependent refolding of heat denatured firefly luciferase in rabbit reticulocyte lysate after 30 mins
50033316	1	ChEMBL_745521 (CHEMBL1775764)	Inhibition of human recombinant COX-2 assessed as PGE2 production from arachidonic acid after 20 mins enzyme immunoassay
50033316	2	ChEMBL_745544 (CHEMBL1775861)	Inhibition of ram seminal vesicle COX-1 assessed as PGE2 production from arachidonic acid after 20 mins enzyme immunoassay
50033316	3	ChEMBL_745527 (CHEMBL1775770)	Inhibition of 5-LOX
50033316	4	ChEMBL_745528 (CHEMBL1775771)	Inhibition of 12-LOX
50033317	1	ChEMBL_745561 (CHEMBL1775878)	Inhibition of AKT phosphorylation at S473 in human U-87MG cells at 5 mM after 2 hrs
50033317	2	ChEMBL_745550 (CHEMBL1775867)	Inhibition of human PI3Kbeta expressed in Sf9 cells
50033317	3	ChEMBL_745551 (CHEMBL1775868)	Inhibition of human PI3Kgamma expressed in Sf9 cells
50033317	4	ChEMBL_745552 (CHEMBL1775869)	Inhibition of human PI3Kdelta expressed in Sf9 cells
50033317	5	ChEMBL_745554 (CHEMBL1775871)	Inhibition of human VPS34 after 30 mins by fluorescence-based immunoassay
50033317	9	ChEMBL_745548 (CHEMBL1775865)	Inhibition of human PI3Kalpha expressed in Sf9 cells
50033318	1	ChEMBL_745576 (CHEMBL1775893)	Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding
50033318	2	ChEMBL_745571 (CHEMBL1775888)	Displacement of [3H]U69593 from kappa opioid receptor
50033318	3	ChEMBL_745576 (CHEMBL1775893)	Agonist activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding
50035885	2	ChEMBL_49342 (CHEMBL660857)	Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine striatal tissue
50001101	2	ChEMBL_158264 (CHEMBL762444)	Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line
50033319	1	ChEMBL_745615 (CHEMBL1775985)	Inhibition of human recombinant ribonucleotide reductase M2/M1 expressed in Escherichia coli BL21 (DE3) after 30 mins by [3H]CDP reduction method
50033319	2	ChEMBL_745616 (CHEMBL1775986)	Inhibition of human recombinant ribonucleotide reductase p53R2/M1 expressed in Escherichia coli BL21 (DE3) after 30 mins by [3H]CDP reduction method
50033320	1	ChEMBL_745624 (CHEMBL1775994)	Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells
50033320	2	ChEMBL_745625 (CHEMBL1775995)	Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells
50033320	4	ChEMBL_745635 (CHEMBL1776005)	Inhibition of human GAT1-mediated GABA uptake
50033320	5	ChEMBL_745637 (CHEMBL1776007)	Inhibition of rat GAT2-mediated GABA uptake
50033320	6	ChEMBL_745638 (CHEMBL1776008)	Inhibition of human GAT3-mediated GABA uptake
50033321	1	ChEMBL_745646 (CHEMBL1776016)	Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells
50033321	2	ChEMBL_745648 (CHEMBL1776018)	Binding affinity to human 5HT2A receptor
50033321	3	ChEMBL_745649 (CHEMBL1776019)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells
50033322	1	ChEMBL_745673 (CHEMBL1776043)	Inhibition of human liver microsome SCD1
50033322	2	ChEMBL_745672 (CHEMBL1776042)	Inhibition of mouse liver microsome SCD1
50033322	3	ChEMBL_745674 (CHEMBL1776044)	Inhibition of human SCD1 transfected in human 293A cells after 30 mins by whole cell assay
50033323	1	ChEMBL_745700 (CHEMBL1776070)	Antagonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced effect
50033323	2	ChEMBL_745697 (CHEMBL1776067)	Positive allosteric modulation of rat mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced intracellular calcium release by FLIPR assay
50033323	3	ChEMBL_745694 (CHEMBL1776064)	Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting
50033323	4	ChEMBL_745691 (CHEMBL1776061)	Positive allosteric modulation of human mGluR2 expressed in HEK293 cells co-expressing Galpha15 G protein assessed as increase in glutamate-induced intracellular calcium release by FLIPR assay
50033325	1	ChEMBL_745440 (CHEMBL1775596)	Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's assay
50033325	2	ChEMBL_745441 (CHEMBL1775597)	Inhibition of human BChE using butyrylthiocholine iodide as substrate by Ellman's method
50033326	1	ChEMBL_745892 (CHEMBL1776262)	Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay
50033327	1	ChEMBL_746842 (CHEMBL1777125)	Binding affinity to high-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assay
50033327	2	ChEMBL_746838 (CHEMBL1777121)	Binding affinity to rat serum albumin at 37 degC by surface plasmon resonance assay
50033327	3	ChEMBL_746849 (CHEMBL1777132)	Binding affinity to high-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay
50033327	4	ChEMBL_746759 (CHEMBL1776928)	Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay in presence of 0.5 mg/mL human alpha-1-acid glycoprotein
50033327	5	ChEMBL_746847 (CHEMBL1777130)	Binding affinity to low-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assay
50033327	6	ChEMBL_746850 (CHEMBL1777133)	Binding affinity to low-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay
50033327	7	ChEMBL_746855 (CHEMBL1777138)	Binding affinity to human serum albumin at 20 degC by isothermal titration calorimetry analysis
50033327	8	ChEMBL_746836 (CHEMBL1777119)	Binding affinity to human serum albumin at 37 degC by surface plasmon resonance assay
50033327	9	ChEMBL_746758 (CHEMBL1776927)	Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay
50048844	1	ChEMBL_152904 (CHEMBL758627)	Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site
50048844	2	ChEMBL_152907 (CHEMBL758630)	Binding affinity (Ki) against human phosphatidylinositol 4-kinase
50033329	1	ChEMBL_747132 (CHEMBL1777498)	Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A20 protein assessed as inhibition of E9 DNA polymerase-mediated DIG-dUTP incorporation into DNA strand by rapid plate assay
50033330	1	ChEMBL_747139 (CHEMBL1777505)	Inhibition of FKBP12-independent human recombinant mTOR expressed in HEK293 cells using His6-S6K1 as a substrate by DELFIA assay
50033331	1	ChEMBL_745919 (CHEMBL1776289)	Inhibition of human recombinant c-Src by filter-binding assay
50033331	2	ChEMBL_745920 (CHEMBL1776290)	Inhibition of human recombinant c-Abl by filter-binding assay
50033332	1	ChEMBL_746174 (CHEMBL1775788)	Agonist activity at human GPR119 by melanophore assay
50033332	2	ChEMBL_746177 (CHEMBL1775791)	Agonist activity at rat GPR119 by melanophore assay
50033332	3	ChEMBL_746187 (CHEMBL1775801)	Inhibition of CYP2C9
50033332	4	ChEMBL_746192 (CHEMBL1775806)	Inhibition of human ERG by patch clamp assay
50033332	5	ChEMBL_746178 (CHEMBL1775792)	Agonist activity at human GPR119 expressed in human HEK293 cells assessed as increase in adenylate cyclase activation
50033333	1	ChEMBL_746271 (CHEMBL1775933)	Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation
50033333	2	ChEMBL_746274 (CHEMBL1775936)	Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation
50033334	1	ChEMBL_746462 (CHEMBL1776378)	Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay
50033334	2	ChEMBL_746464 (CHEMBL1776380)	Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS-induced TNF-alpha release by immunosorbent non-radioactive enzyme assay
50033335	1	ChEMBL_746781 (CHEMBL1776950)	Competitive inhibition of His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization assay
50033335	2	ChEMBL_746783 (CHEMBL1776952)	Competitive inhibition of human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50033335	3	ChEMBL_746782 (CHEMBL1776951)	Binding affinity to His-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) after 2 to 3 hrs by fluorescence polarization-based assay
50033335	4	ChEMBL_746784 (CHEMBL1776953)	Binding affinity to human XIAP linker BIR2-BIR3 domain expressed in Escherichia coli BL21(DE3) cells by fluorescence polarization-based assay
50033335	5	ChEMBL_746787 (CHEMBL1777017)	Competitive inhibition of human cIAP1BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization assay
50033335	6	ChEMBL_746857 (CHEMBL1777140)	Binding affinity to human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay
50033335	7	ChEMBL_746788 (CHEMBL1777018)	Binding affinity to human cIAP1 BIR2-BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay
50033335	8	ChEMBL_746785 (CHEMBL1777015)	Competitive inhibition of human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay
50033335	9	ChEMBL_746856 (CHEMBL1777139)	Competitive inhibition of human cIAP2 BIR3 domain after 2 to 3 hrs by fluorescence polarization assay
50033335	10	ChEMBL_746786 (CHEMBL1777016)	Binding affinity to human cIAP1 BIR3 domain after 2 to 3 hrs by fluorescence polarization-based assay
50033336	1	ChEMBL_747067 (CHEMBL1777433)	Inhibition of human recombinant 5-LO in cell-free system assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay
50033336	2	ChEMBL_747069 (CHEMBL1777435)	Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production after 10 mins by RP-HPLC assay
50033336	3	ChEMBL_746975 (CHEMBL1777341)	Inhibition of human microsomal PGES1 in cell-free system assessed as inhibition of conversion of PGH2 to PGE2 by HPLC assay
50033337	1	ChEMBL_747076 (CHEMBL1777442)	Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assay
50033339	1	ChEMBL_747147 (CHEMBL1777513)	Inhibition of PLK3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	2	ChEMBL_747145 (CHEMBL1777511)	Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	3	ChEMBL_747146 (CHEMBL1777512)	Inhibition of PLK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	4	ChEMBL_747248 (CHEMBL1776507)	Inhibition of FLT3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	5	ChEMBL_747249 (CHEMBL1776508)	Inhibition of MELK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	6	ChEMBL_747251 (CHEMBL1776510)	Inhibition of ABL assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	7	ChEMBL_747252 (CHEMBL1776511)	Inhibition of ACK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	8	ChEMBL_747253 (CHEMBL1776512)	Inhibition of AKT1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	10	ChEMBL_747255 (CHEMBL1776514)	Inhibition of Aur-A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	12	ChEMBL_747257 (CHEMBL1776516)	Inhibition of BRK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	13	ChEMBL_747258 (CHEMBL1776517)	Inhibition of BUB1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	21	ChEMBL_747266 (CHEMBL1776525)	Inhibition of EEF2K assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	22	ChEMBL_745837 (CHEMBL1776207)	Inhibition of EphA2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	23	ChEMBL_745838 (CHEMBL1776208)	Inhibition of ERK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	24	ChEMBL_745839 (CHEMBL1776209)	Inhibition of FAK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	25	ChEMBL_745840 (CHEMBL1776210)	Inhibition of FGFR1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	26	ChEMBL_745841 (CHEMBL1776211)	Inhibition of GSK3-beta assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	27	ChEMBL_745842 (CHEMBL1776212)	Inhibition of Haspin assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	28	ChEMBL_745843 (CHEMBL1776213)	Inhibition of IGFR1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	29	ChEMBL_745844 (CHEMBL1776214)	Inhibition of IKK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	31	ChEMBL_745846 (CHEMBL1776216)	Inhibition of JAK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	32	ChEMBL_745847 (CHEMBL1776217)	Inhibition of JAK3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	33	ChEMBL_745848 (CHEMBL1776218)	Inhibition of KIT assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	34	ChEMBL_745849 (CHEMBL1776219)	Inhibition of LCK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	35	ChEMBL_745850 (CHEMBL1776220)	Inhibition of LYN assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	36	ChEMBL_745851 (CHEMBL1776221)	Inhibition of MAPKAPK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	37	ChEMBL_745852 (CHEMBL1776222)	Inhibition of MET assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	38	ChEMBL_745853 (CHEMBL1776223)	Inhibition of MNK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	39	ChEMBL_745854 (CHEMBL1776224)	Inhibition of MPS1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	40	ChEMBL_745855 (CHEMBL1776225)	Inhibition of MST4 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	41	ChEMBL_745831 (CHEMBL1776201)	Inhibition of NEK6 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	42	ChEMBL_745832 (CHEMBL1776202)	Inhibition of NIM1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	43	ChEMBL_745833 (CHEMBL1776203)	Inhibition of P38alpha assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	44	ChEMBL_745834 (CHEMBL1776204)	Inhibition of PAK4 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	45	ChEMBL_745836 (CHEMBL1776206)	Inhibition of PDK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	46	ChEMBL_745933 (CHEMBL1776303)	Inhibition of PERK assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	47	ChEMBL_745934 (CHEMBL1776304)	Inhibition of PIM1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	48	ChEMBL_745935 (CHEMBL1776305)	Inhibition of PIM2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	49	ChEMBL_745936 (CHEMBL1776306)	Inhibition of PKAalpha assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	50	ChEMBL_745937 (CHEMBL1776307)	Inhibition of PKCbeta assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	51	ChEMBL_745938 (CHEMBL1776308)	Inhibition of RET assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	52	ChEMBL_745939 (CHEMBL1776309)	Inhibition of ROS1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	53	ChEMBL_745941 (CHEMBL1775240)	Inhibition of Syk assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	54	ChEMBL_745942 (CHEMBL1775241)	Inhibition of TLK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	55	ChEMBL_745943 (CHEMBL1775242)	Inhibition of TRKA assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	56	ChEMBL_745944 (CHEMBL1775243)	Inhibition of TYK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	57	ChEMBL_745945 (CHEMBL1775244)	Inhibition of VEGFR2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033339	59	ChEMBL_745947 (CHEMBL1775246)	Inhibition of ZAP70 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50033340	1	ChEMBL_745951 (CHEMBL1775250)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50033341	1	ChEMBL_746047 (CHEMBL1775434)	Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting
50033341	2	ChEMBL_746050 (CHEMBL1775437)	Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting
50033342	1	ChEMBL_746058 (CHEMBL1775445)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins
50033343	2	ChEMBL_746382 (CHEMBL1776341)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat brain membranes by competitive binding assay
50033344	4	ChEMBL_746790 (CHEMBL1777020)	Agonist activity at human kappa-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033344	6	ChEMBL_746791 (CHEMBL1777021)	Antagonist activity at human kappa-opioid receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50033344	7	ChEMBL_746793 (CHEMBL1777023)	Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by scintillation counting
50033345	1	ChEMBL_746882 (CHEMBL1777216)	Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay
50033346	1	ChEMBL_747173 (CHEMBL1777636)	Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50001466	16	ChEMBL_1775 (CHEMBL616749)	Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]5-HT
50033346	3	ChEMBL_747178 (CHEMBL1777641)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting
50001466	1	ChEMBL_1767 (CHEMBL616552)	Inhibition of Forskolin-stimulated adenylate cyclase activity against 5-hydroxytryptamine 1B receptor of rat substantia nigra
50033346	6	ChEMBL_747173 (CHEMBL1777636)	Agonist activity at human MC5R expressed in HEK293 cells assessed as intracellular cAMP accumulation
50033346	7	ChEMBL_747180 (CHEMBL1777643)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by Wallac 1470 gamma counting
50033347	1	ChEMBL_747182 (CHEMBL1777645)	Inhibition of RSK2 after 60 mins
50033348	1	ChEMBL_745959 (CHEMBL1775258)	Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay
50033348	2	ChEMBL_745963 (CHEMBL1775262)	Inhibition of JNK1
50033348	3	ChEMBL_745964 (CHEMBL1775263)	Inhibition of JNK2
50033348	4	ChEMBL_745965 (CHEMBL1775264)	Inhibition of JNK3
50033348	6	ChEMBL_745961 (CHEMBL1775260)	Inhibition of p38alpha
50033348	7	ChEMBL_745962 (CHEMBL1775261)	Inhibition of p38beta
50033349	1	ChEMBL_745979 (CHEMBL1775278)	Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay
50033349	2	ChEMBL_745978 (CHEMBL1775277)	Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assay
50033350	1	ChEMBL_746073 (CHEMBL1775460)	Displacement of [I125]-CCK8 from human CCK1 receptor expressed in CHO Flip cells after 2 hrs by scintillation counting
50033350	2	ChEMBL_746065 (CHEMBL1775452)	Agonist activity at human CCK1 receptor expressed in CHO Flip cells assessed as increase of radio labeled inositol phosphate accumulation by Wallac microbeta analysis
50033350	3	ChEMBL_746077 (CHEMBL1775512)	Agonist activity at mouse CCK1 receptor expressed in CHO Flip cells assessed as increase in radio labeled inositol phosphate accumulation by Wallac microbeta analysis
50033350	4	ChEMBL_746069 (CHEMBL1775456)	Inhibition of COX1
50033350	5	ChEMBL_746070 (CHEMBL1775457)	Agonist activity at CB2 receptor
50033350	6	ChEMBL_746071 (CHEMBL1775458)	Inhibition of CCK2 receptor
50033350	7	ChEMBL_746072 (CHEMBL1775459)	Inhibition of IKr
50033351	1	ChEMBL_746713 (CHEMBL1776838)	Inhibition of JAK2 after 60 min
50033351	3	ChEMBL_746718 (CHEMBL1776843)	Inhibition of human TRKA
50033351	4	ChEMBL_746719 (CHEMBL1776844)	Inhibition of human JAK3
50033351	5	ChEMBL_746720 (CHEMBL1776845)	Inhibition of human RET
50033351	6	ChEMBL_746722 (CHEMBL1776847)	Inhibition of human FGFR3
50033351	7	ChEMBL_746723 (CHEMBL1776848)	Inhibition of human Pyk2
50033351	9	ChEMBL_746725 (CHEMBL1776850)	Inhibition of human Lck
50033351	10	ChEMBL_746726 (CHEMBL1776851)	Inhibition of human MuSk
50033351	11	ChEMBL_746727 (CHEMBL1776852)	Inhibition of human EGFR
50033351	12	ChEMBL_746728 (CHEMBL1776853)	Inhibition of human EphB2
50033352	1	ChEMBL_746399 (CHEMBL1776358)	Agonist activity at PPARgamma in mouse 3T3L1 cells
50033353	1	ChEMBL_747568 (CHEMBL1777149)	Displacement of Dy-635-pNPY from human Y2R expressed in CHO cells by flow cytometry
50033353	2	ChEMBL_747566 (CHEMBL1777100)	Displacement of Dy-635-pNPY from human Y5R expressed in CHO cells by flow cytometry
50033353	3	ChEMBL_747567 (CHEMBL1777101)	Displacement of Cy5-[K4]-hpp from human Y4R expressed in CHO cells by flow cytometry
50033353	4	ChEMBL_747560 (CHEMBL1777094)	Displacement of radiolabeled NPY from human Y1R expressed in human SK-N-MC cells
50033353	5	ChEMBL_747562 (CHEMBL1777096)	Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells
50033353	6	ChEMBL_747565 (CHEMBL1777099)	Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells by flow cytometry
50033353	7	ChEMBL_747574 (CHEMBL1777155)	Binding affinity at Y1R in human MCF-7 cells by flow cytometry
50033354	1	ChEMBL_747582 (CHEMBL1777163)	Inhibition of mTOR in human NCI-PC3 cells assessed as inhibition of p70S6k phosphorylation by electrochemiluminescence assay
50033354	2	ChEMBL_747578 (CHEMBL1777159)	Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay
50033354	3	ChEMBL_747584 (CHEMBL1777165)	Inhibition of mTor in human NCI-PC3 cells assessed as inhibition of Akt phosphorylation at serine473 by electrochemiluminescence assay
50033355	1	ChEMBL_747609 (CHEMBL1777190)	Displacement of [125I]DOI from 5HT2A receptor
50033355	2	ChEMBL_747602 (CHEMBL1777183)	Displacement of [125I]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting
50033355	3	ChEMBL_747598 (CHEMBL1777179)	Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting
50033355	4	ChEMBL_747601 (CHEMBL1777182)	Displacement of [125I]-IABN from human dopamine D4 receptor expressed in HEK293 cells after 60 mins by gamma counting
50033355	5	ChEMBL_747597 (CHEMBL1777178)	Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinpirole-induced mitogenesis
50033355	6	ChEMBL_747603 (CHEMBL1777184)	Antagonist activity at human dopamine D2 receptor expressed in CHOp cells assessed as inhibition of quinpirole-induced mitogenesis
50033355	7	ChEMBL_747604 (CHEMBL1777185)	Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells assessed as inhibition of dopamine-induced recruitment of beta-arrestin-2 after 90 mins by beta-galactosidase assay
50033355	8	ChEMBL_747606 (CHEMBL1777187)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor
50033355	9	ChEMBL_747607 (CHEMBL1777188)	Agonist activity at 5HT1A receptor assessed as stimulation of [35S]GTPgammaS binding
50033355	10	ChEMBL_747611 (CHEMBL1777192)	Binding affinity to wild type human dopamine D2 receptor expressed in HEK293 cells
50033355	11	ChEMBL_747620 (CHEMBL1777238)	Binding affinity to wild type human dopamine D3 receptor expressed in HEK293 cells
50033355	12	ChEMBL_747621 (CHEMBL1777239)	Displacement of [125I]-IABN from wild type human dopamine D2 receptor expressed in HEK293 cells
50033355	13	ChEMBL_747630 (CHEMBL1777248)	Displacement of [125I]-IABN from wild type human dopamine D3 receptor expressed in HEK293 cells
50033356	1	ChEMBL_747643 (CHEMBL1777261)	Inhibition of SPHK1
50033356	2	ChEMBL_747644 (CHEMBL1777262)	Inhibition of SPHK2
50033356	3	ChEMBL_747639 (CHEMBL1777257)	Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells
50033356	4	ChEMBL_747638 (CHEMBL1777256)	Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells
50033357	1	ChEMBL_747323 (CHEMBL1776626)	Displacement of [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins
50033357	2	ChEMBL_747322 (CHEMBL1776625)	Displacement of [3H]histamine from human full-length histamine H4 receptor expressed in HEK293 cells after 60 mins
50033357	3	ChEMBL_747648 (CHEMBL1777266)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting
50033357	4	ChEMBL_747649 (CHEMBL1777267)	Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presence of (R)-alpha-methyl-histamine
50033357	5	ChEMBL_747647 (CHEMBL1777265)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins by liquid scintillation counting
50033358	1	ChEMBL_747359 (CHEMBL1776704)	Inhibition of human Pin1 using Suc-Ala-Glu-Pro-Phe-pNA as substrate by spectrophotometry
50033359	1	ChEMBL_747401 (CHEMBL1776795)	Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay
50033360	1	ChEMBL_747433 (CHEMBL1776882)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 EBNA cells after 1 hr by liquid scintillation counting
50033360	2	ChEMBL_747461 (CHEMBL1776961)	Inhibition of dopamine D4 receptor
50033360	3	ChEMBL_747460 (CHEMBL1776960)	Inhibition of adrenergic Alpha-1D receptor
50033360	4	ChEMBL_747462 (CHEMBL1776962)	Inhibition of adrenergic Alpha-1B receptor
50033360	5	ChEMBL_747464 (CHEMBL1776964)	Inhibition of adrenergic alpha1A receptor
50033360	6	ChEMBL_747463 (CHEMBL1776963)	Inhibition of 5HT7 receptor
50033360	7	ChEMBL_747466 (CHEMBL1776966)	Inhibition of 5HT1B receptor
50033360	8	ChEMBL_747465 (CHEMBL1776965)	Inhibition of 5HT1A receptor
50033361	1	ChEMBL_747512 (CHEMBL1777012)	Inhibition of human recombinant GST-tagged SIRT1 after 4 hrs by homogeneous fluorescent deacetylase assay
50033361	2	ChEMBL_747513 (CHEMBL1777013)	Inhibition of human recombinant N-terminally His6-tagged SIRT2 after 4 hrs by homogeneous fluorescent deacetylase assay
50033362	1	ChEMBL_747525 (CHEMBL1777059)	Inhibition of human purified phosphomannose isomerase
50033362	2	ChEMBL_747526 (CHEMBL1777060)	Inhibition of human purified PMM2
50035891	18	ChEMBL_176825 (CHEMBL780518)	Evaluated for Ca++ dependent phosphodiesterase activity. 
50035891	12	ChEMBL_29489 (CHEMBL641722)	Binding affinity for Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]-CHA
50035891	20	ChEMBL_30856 (CHEMBL643728)	Binding affinity for adenosine A2 receptor in corpora striata of rats using [3H]NECA
50033363	1	ChEMBL_747536 (CHEMBL1777070)	Inhibition of purified COX2 assessed as formation of oxidized TMPD during reduction og PGG2 to PGH2 preincubated for 15 mins by chromogenic assay
50033363	5	ChEMBL_747537 (CHEMBL1777071)	Inhibition of human LTA4 hydrolase activity assessed as LTB4 production after 15 mins by ELISA
50035891	21	ChEMBL_30855 (CHEMBL882479)	Binding affinity for Adenosine A2 receptor in corpora striata of rats using [3H]NECA
50035891	15	ChEMBL_29333 (CHEMBL643147)	Binding affinity for Adenosine A1 receptor in corpora striata of rats using [3H]NECA
50033364	1	ChEMBL_748572 (CHEMBL1780425)	Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins
50033365	1	ChEMBL_748255 (CHEMBL1781265)	Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophotometry analysis
50033366	1	ChEMBL_748278 (CHEMBL1781288)	Inhibition of aurora A
50033366	3	ChEMBL_748277 (CHEMBL1781287)	Inhibition of aurora C
50033366	5	ChEMBL_748279 (CHEMBL1781289)	Inhibition of Flt3
50033366	6	ChEMBL_748335 (CHEMBL1781459)	Inhibition of Yes
50033366	7	ChEMBL_748306 (CHEMBL1781316)	Inhibition of c-SRC
50033366	8	ChEMBL_748307 (CHEMBL1781317)	Inhibition of Fyn
50033367	1	ChEMBL_748324 (CHEMBL1781448)	Inhibition of C-Raf
50033367	2	ChEMBL_748323 (CHEMBL1781447)	Inhibition of B-Raf
50033368	1	ChEMBL_748329 (CHEMBL1781453)	Inhibition of TACE
50033368	2	ChEMBL_748386 (CHEMBL1781550)	Inhibition of ADAM10
50033368	3	ChEMBL_748387 (CHEMBL1781551)	Inhibition of MMP1
50033368	4	ChEMBL_748388 (CHEMBL1781552)	Inhibition of MMP2
50033368	5	ChEMBL_748389 (CHEMBL1781553)	Inhibition of MMP3
50033368	6	ChEMBL_748390 (CHEMBL1781554)	Inhibition of MMP7
50033368	8	ChEMBL_748392 (CHEMBL1781556)	Inhibition of MMP13
50033369	1	ChEMBL_748402 (CHEMBL1781566)	Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis
50033370	1	ChEMBL_748407 (CHEMBL1781571)	Agonist activity at human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50033370	2	ChEMBL_748410 (CHEMBL1781574)	Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay
50033370	3	ChEMBL_748404 (CHEMBL1781568)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells
50033370	4	ChEMBL_748405 (CHEMBL1781569)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells
50033371	1	ChEMBL_748468 (CHEMBL1780321)	Inhibition of wild type CFTR expressed in CHO cells by [125I]iodide efflux assay
50033372	1	ChEMBL_748479 (CHEMBL1780332)	Inhibition of PDE8B
50033372	2	ChEMBL_748480 (CHEMBL1780333)	Inhibition of PDE8A
50033373	1	ChEMBL_748492 (CHEMBL1780345)	Inhibition of CYP1A1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin
50033373	2	ChEMBL_748493 (CHEMBL1780346)	Inhibition of CYP1B1 EROD activity assessed as inhibition of deethylation of 7-ethoxyresorufin to resorufin
50033374	1	ChEMBL_748535 (CHEMBL1780388)	Inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate measured for 5 mins by spectrophotometric analysis
50033374	2	ChEMBL_748536 (CHEMBL1780389)	Non-competitive inhibition of mushroom tyrosinase using L-3,4- dihydroxyphenylalanine as substrate by Lineweaver-Burk double reciprocal plot analysis
50033374	3	ChEMBL_748537 (CHEMBL1780390)	Inhibition of tyrosinase
50033375	2	ChEMBL_748590 (CHEMBL1780443)	Agonist activity at mouse GPR40 expressed in CHO cells assessed as intracellular calcium mobilization by FLIPR assay
50035891	3	ChEMBL_28532 (CHEMBL640700)	Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.
50033375	6	ChEMBL_748602 (CHEMBL1780455)	Inhibition of CYP2C9
50033375	7	ChEMBL_748605 (CHEMBL1780458)	Inhibition of human ERG
50033375	9	ChEMBL_748603 (CHEMBL1780456)	Inhibition of CYP2D6
50033375	10	ChEMBL_748604 (CHEMBL1780457)	Inhibition of CYP3A4
50033376	1	ChEMBL_748611 (CHEMBL1780464)	Antagonist activity at human bradykinin B1 receptor
50033376	2	ChEMBL_748609 (CHEMBL1780462)	Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based assay
50033376	3	ChEMBL_748610 (CHEMBL1780463)	Inhibition of CYP3A4 preincubated for 30 mins
50033376	4	ChEMBL_748607 (CHEMBL1780460)	Inhibition of CYP3A4
50033377	1	ChEMBL_747798 (CHEMBL1780997)	Inhibition of rat 5-alpha-reductase type 2 by Lineweaver-Burk plot
50033378	1	ChEMBL_747896 (CHEMBL1781215)	Inhibition of JNK1
50033378	2	ChEMBL_747897 (CHEMBL1781216)	Inhibition of JNK2
50033378	3	ChEMBL_747898 (CHEMBL1781217)	Inhibition of JNK3
50033378	4	ChEMBL_747874 (CHEMBL1781129)	Inhibition of p38alpha
50033378	5	ChEMBL_747813 (CHEMBL1781012)	Inhibition of p38beta
50033379	1	ChEMBL_747985 (CHEMBL1781362)	Inhibition of human ERG by patch clamp method
50033380	1	ChEMBL_748047 (CHEMBL1781588)	Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically
50033381	1	ChEMBL_748201 (CHEMBL1780282)	Inhibition of CYP3A4
50033381	2	ChEMBL_748202 (CHEMBL1780283)	Inhibition of CYP2C9
50001127	7	ChEMBL_42765 (CHEMBL659157)	Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane.
50001127	5	ChEMBL_42763 (CHEMBL653733)	Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane.
50001104	2	ChEMBL_158567 (CHEMBL769240)	Inhibitory activity against Prostaglandin G/H synthase
50048845	1	ChEMBL_157972 (CHEMBL858257)	In vitro inhibition of bovine prostaglandin G/H synthase, using bovine seminal vesicle microsomal preparations; IC50 in umol/L
50033381	5	ChEMBL_748141 (CHEMBL1781820)	Binding affinity to human prostanoid DP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay
50033381	6	ChEMBL_748142 (CHEMBL1781821)	Binding affinity to human prostanoid TP receptor expressed in HEK293-EBNA cells by radioligand competition binding assay
50033382	1	ChEMBL_748203 (CHEMBL1780284)	Inhibition of neutral endopeptidase
50033382	2	ChEMBL_748204 (CHEMBL1780285)	Inhibition of atrial natriuretic peptide
50048845	2	ChEMBL_157973 (CHEMBL767501)	Ability to inhibit Prostaglandin G/H synthase was evaluated in vitro using bovine seminal vesicle preparations.
50033384	1	ChEMBL_747911 (CHEMBL1781230)	Agonist activity at human PPARalpha-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay
50033384	2	ChEMBL_747912 (CHEMBL1781231)	Agonist activity at human PPARgamma-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay
50033384	3	ChEMBL_747913 (CHEMBL1781232)	Agonist activity at human PPARdelta-LBD expressed in CV1 cells co-transfected with Gal4 after 40 hrs by luciferase based transactivation assay
50033385	1	ChEMBL_748229 (CHEMBL1781192)	Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane
50033385	2	ChEMBL_748231 (CHEMBL1781194)	Antagonist activity at human NR2B expressed in HEK293 cells assessed as glutamate-induced changes in intracellular calcium concentration
50033385	3	ChEMBL_748234 (CHEMBL1781197)	Iinhibition of CYP2D6
50033385	4	ChEMBL_748235 (CHEMBL1781198)	Iinhibition of CYP3A4
50033385	5	ChEMBL_748237 (CHEMBL1781200)	Antagonist activity at NR2A transfected in oocytes
50033385	6	ChEMBL_748230 (CHEMBL1781193)	Inhibition of human ERG expressed in CHOK1 cells electrophysiology study
50033386	1	ChEMBL_748302 (CHEMBL1781312)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting
50033386	2	ChEMBL_748300 (CHEMBL1781310)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting
50033386	3	ChEMBL_748301 (CHEMBL1781311)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting
50033387	1	ChEMBL_748347 (CHEMBL1781471)	Inhibition of ram seminal vesicle COX1 assessed as conversion of [14C]-arachidonic acid to [14C]-prostaglandins preincubated for 20 mins by thin-layer chromatography analysis
50033387	2	ChEMBL_748348 (CHEMBL1781472)	Inhibition of human COX2 expressed in SF-9 insect cells assessed as conversion of [14C]-arachidonic acid to [14C]-prostaglandins preincubated for 20 mins by thin-layer chromatography analysis
50033387	3	ChEMBL_748345 (CHEMBL1781469)	Inhibition of ovine COX1 assessed as conversion of [14C]-arachidonic acid to [14C]-prostaglandins preincubated for 17 mins by thin-layer chromatography analysis
50033387	4	ChEMBL_748346 (CHEMBL1781470)	Inhibition of mouse COX2 assessed as conversion of [14C]-arachidonic acid to [14C]-prostaglandins preincubated for 17 mins by thin-layer chromatography analysis
50033388	1	ChEMBL_748499 (CHEMBL1780352)	Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate
50033388	3	ChEMBL_748498 (CHEMBL1780351)	Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate
50001488	2	ChEMBL_59151 (CHEMBL671032)	In vitro inhibition of [3H]-Spiperone binding to Dopamine receptor D2 in Macaca nemestrina striatal membranes (using L-tartrate salt of authentic raclopride)
50001488	3	ChEMBL_59150 (CHEMBL671031)	In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 in Macaca nemestrina striatal membranes
50033389	1	ChEMBL_748547 (CHEMBL1780400)	Agonist activity at Gal4-fussed PPARalpha expressed in human HEK293 cells by reporter gene assay
50033389	2	ChEMBL_748548 (CHEMBL1780401)	Agonist activity at Gal4-fussed PPARdelta expressed in human HEK293 cells by reporter gene assay
50033389	3	ChEMBL_748549 (CHEMBL1780402)	Agonist activity at Gal4-fussed PPARgamma expressed in human HEK293 cells by reporter gene assay
50033390	1	ChEMBL_748631 (CHEMBL1780484)	Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-induced calcium flux
50001490	11	ChEMBL_204571 (CHEMBL812534)	Inhibition of Steroid 17-alpha-hydroxylase/17,20 lyase from rat testes microsomal preparation
50001490	9	ChEMBL_210244 (CHEMBL809272)	Inhibition of Testosterone-5 alpha-reductase activity at pH 7.4 from rat
50035896	6	ChEMBL_147645 (CHEMBL757329)	Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)
50001494	8	ChEMBL_152339 (CHEMBL874640)	Inhibitory concentration which is required to cause 50% inhibition of Porcine pancreatic elastase (PPE) enzyme
50001494	9	ChEMBL_152340 (CHEMBL758721)	Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE)
50033391	1	ChEMBL_748641 (CHEMBL1780494)	Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay
50033391	2	ChEMBL_748643 (CHEMBL1780496)	Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as increase of L-glutamate-induced calcium mobilization by FLIPR assay
50033391	3	ChEMBL_748645 (CHEMBL1780498)	Displacement of [3H]-MPEP from human mGluR5 expressed in HEK293 cells after 2 hrs
50033392	1	ChEMBL_748646 (CHEMBL1780499)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer
50033393	1	ChEMBL_747720 (CHEMBL1780875)	Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting
50033393	2	ChEMBL_747696 (CHEMBL1780851)	Displacement of [18F](+)-FP-DTBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting
50033394	1	ChEMBL_747699 (CHEMBL1780854)	Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay
50033395	1	ChEMBL_747719 (CHEMBL1780874)	Inhibition of B-Raf
50033396	3	ChEMBL_747855 (CHEMBL1781110)	Inhibition of CYP3A4
50033396	4	ChEMBL_747856 (CHEMBL1781111)	Inhibition of CYP2D6
50033396	5	ChEMBL_747857 (CHEMBL1781112)	Inhibition of CYP2C9
50033397	1	ChEMBL_747956 (CHEMBL1781333)	Inhibition of c-Raf assessed as phosphorylation of MEK1/2 by ELISA
50033398	1	ChEMBL_748099 (CHEMBL1781729)	Agonist activity at human TLR7 transfected in HEK reporter cells assessed as NF-kappaB induction by specific secreted alkaline phosphatase gene assay
50033399	1	ChEMBL_748113 (CHEMBL1781743)	Inhibition of human CA1 by CO2 hydration assay
50033399	2	ChEMBL_748114 (CHEMBL1781744)	Inhibition of human CA2 by CO2 hydration assay
50033399	3	ChEMBL_748115 (CHEMBL1781745)	Inhibition of human CA4 by CO2 hydration assay
50033399	4	ChEMBL_748165 (CHEMBL1781844)	Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay
50033399	5	ChEMBL_748166 (CHEMBL1781845)	Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay
50033400	1	ChEMBL_748172 (CHEMBL1781851)	Inhibition of human liver fructose-1,6-bisphosphatase
50033400	2	ChEMBL_748173 (CHEMBL1781852)	Inhibition of mouse liver fructose-1,6-bisphosphatase
50033401	1	ChEMBL_748853 (CHEMBL1780835)	Inhibition of CYP2C9
50033401	2	ChEMBL_748854 (CHEMBL1780836)	Inhibition of CYP2C19
50033401	3	ChEMBL_748855 (CHEMBL1780837)	Inhibition of CYP2D6
50033401	4	ChEMBL_748856 (CHEMBL1780838)	Inhibition of CYP3A4
50033401	5	ChEMBL_748858 (CHEMBL1780840)	Inhibition of CYP1A2
50033402	1	ChEMBL_748961 (CHEMBL1781409)	Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins
50033403	1	ChEMBL_748962 (CHEMBL1781410)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate
50033403	2	ChEMBL_748964 (CHEMBL1781412)	Displacement of [3H]SCH233930 from human D1 receptor expressed in HEK cells
50033403	3	ChEMBL_748965 (CHEMBL1781413)	Displacement of [3H]SCH233930 from human D5 receptor expressed in HEK cells
50033403	4	ChEMBL_748966 (CHEMBL1781414)	Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEK cells
50033403	5	ChEMBL_748967 (CHEMBL1781415)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK cells
50033403	6	ChEMBL_748968 (CHEMBL1781416)	Displacement of [3H]N-methylspiperone from human D4 receptor expressed in HEK cells
50033403	7	ChEMBL_748973 (CHEMBL1781421)	Antagonist activity at histamine H1 receptor
50033404	1	ChEMBL_748983 (CHEMBL1781431)	Inhibition of purified c-Met using poly(glu,tyr) as substrate after 60 mins by ELISA
50033405	1	ChEMBL_748986 (CHEMBL1781771)	Inhibition of c-Met assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	2	ChEMBL_748985 (CHEMBL1781770)	Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	3	ChEMBL_748984 (CHEMBL1781432)	Competitive inhibition of ALK phosphorylation by Lineweaver-Burk plot analysis
50033405	4	ChEMBL_748924 (CHEMBL1781088)	Inhibition of KDR assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	5	ChEMBL_748925 (CHEMBL1781373)	Inhibition of Src assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	6	ChEMBL_748926 (CHEMBL1781374)	Inhibition of INSR assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	7	ChEMBL_748927 (CHEMBL1781375)	Inhibition of FGFR2 assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	8	ChEMBL_748928 (CHEMBL1781376)	Inhibition of Abl assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	9	ChEMBL_748929 (CHEMBL1781377)	Inhibition of IGF1R assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	10	ChEMBL_748990 (CHEMBL1781775)	Inhibition of EGFR assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay
50033405	11	ChEMBL_748991 (CHEMBL1781776)	Inhibition of HER2 assessed as biotin-HEQEDEPEGDYFEWLEPE peptide phosphorylation by TR-FRET assay
50033405	12	ChEMBL_748992 (CHEMBL1781777)	Inhibition of Kit assessed as biotin-HEQEDEPEGDYFEWLEPE peptide phosphorylation by TR-FRET assay
50033405	13	ChEMBL_748993 (CHEMBL1781778)	Inhibition of AKT1 assessed as FI-H1-peptide phosphorylation by fluorescence polarization assay
50033405	14	ChEMBL_748994 (CHEMBL1781779)	Inhibition of aurora A assessed as FLC-LRRASLG peptide phosphorylation by fluorescence polarization assay
50033405	15	ChEMBL_748995 (CHEMBL1781780)	Inhibition of PKCalpha assessed as FLC-SIYRRGSRRWRKL peptide phosphorylation by fluorescence polarization assay
50033405	16	ChEMBL_748996 (CHEMBL1781781)	Inhibition of PKCbeta1 assessed as FLC-SIYRRGSRRWRKL peptide phosphorylation by fluorescence polarization assay
50033405	17	ChEMBL_748997 (CHEMBL1781782)	Inhibition of PKCbeta2 assessed as FLC-SIYRRGSRRWRKL peptide phosphorylation by fluorescence polarization assay
50033405	18	ChEMBL_748998 (CHEMBL1781783)	Inhibition of Raf1 assessed as MEK1/2 phosphorylation by fluorescence polarization assay
50033406	1	ChEMBL_749005 (CHEMBL1781790)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]-Glucose uptake using [14C]-methyl glucopyranoside after 60 mins by microbeta plate counting
50033406	2	ChEMBL_749012 (CHEMBL1781797)	Inhibition of rat SGLT2
50033406	3	ChEMBL_749011 (CHEMBL1781796)	Inhibition of human SGLT1
50033407	1	ChEMBL_749050 (CHEMBL1780647)	Inhibition of MK2 in LPS-stimulated human THP1 cells assessed as inhibition of Hsp27 phosphorylation pretreated 60 mins before LPS challenge measured after 10 mins
50033407	2	ChEMBL_749048 (CHEMBL1780645)	Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay
50048846	1	ChEMBL_42911 (CHEMBL653772)	In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta
50048846	2	ChEMBL_214795 (CHEMBL873903)	In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta
50033408	4	ChEMBL_749121 (CHEMBL1780718)	Inhibition of human CYP1A2
50033408	5	ChEMBL_749122 (CHEMBL1780719)	Inhibition of human CYP2C19
50033408	6	ChEMBL_749123 (CHEMBL1780720)	Inhibition of human CYP2C9
50033408	7	ChEMBL_749124 (CHEMBL1780721)	Inhibition of human CYP2D6
50033408	8	ChEMBL_749125 (CHEMBL1780722)	Inhibition of human CYP3A4
50033409	1	ChEMBL_749131 (CHEMBL1780728)	Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay
50033409	2	ChEMBL_749168 (CHEMBL1780896)	Inhibition of MK2 in human THP1 cells assessed as Hsp27 phosphorylation
50033410	1	ChEMBL_749178 (CHEMBL1780906)	Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay
50033410	2	ChEMBL_749177 (CHEMBL1780905)	Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assay
50033411	1	ChEMBL_749181 (CHEMBL1780909)	Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay
50033411	2	ChEMBL_749189 (CHEMBL1780917)	Inhibition of CYP3A4
50033411	3	ChEMBL_749224 (CHEMBL1781167)	Inhibition of human ERG by patch clamp method
50033412	1	ChEMBL_749238 (CHEMBL1781181)	Antagonist activity at S1P4 receptor in human U2OS cells expressing EDG6-linked GAL4-VP16 transcription factor via TEV protease site/beta-arrestin/TEV protease fusion protein and beta-lactamase reporter gene assessed as beta-lactamase expression by FRET assay
50033412	2	ChEMBL_749240 (CHEMBL1781183)	Inhibition of S1P1 receptor
50033412	3	ChEMBL_749242 (CHEMBL1781185)	Inhibition of S1P2 receptor
50033412	4	ChEMBL_749244 (CHEMBL1781187)	Inhibition of S1P3 receptor
50033412	5	ChEMBL_749246 (CHEMBL1781189)	Inhibition of S1P5 receptor
50000881	2	ChEMBL_195750 (CHEMBL801601)	Inhibition of human renin
50035902	8	ChEMBL_146264 (CHEMBL757488)	Compound was evaluated for the opioid receptor mu affinity determined with [3H][D-Ala2-MePhe4-Gly-ol5]-enkephalin (DAGOL) in the presence of excess unlabeled DAGOL to suppress mu binding.
50035905	6	ChEMBL_58960 (CHEMBL669517)	Compound was evaluated for its ability to inhibit Striatal Dopamine Receptor in rat brain through radioreceptor assay carried out with agonist ligand.
50035905	7	ChEMBL_60160 (CHEMBL675707)	Compound was evaluated for its ability to inhibit Striatal Dopamine receptor in rat brain through radioreceptor assay carried out with agonist ligand.
50035906	6	ChEMBL_59880 (CHEMBL673006)	Compound was tested for inhibitory binding activity against Dopamine receptor in rat striatal membranes using [3H]HAL as the radioligand.
50035906	7	ChEMBL_1906 (CHEMBL616502)	Compound was tested for its inhibitory effect on the binding profile in 5-hydroxytryptamine 2 receptor using [3H]spiroperidol in rat brain.
50035906	8	ChEMBL_60176 (CHEMBL675876)	Compound was tested for its inhibitory effect on the binding profile in Dopamine receptor using [3H]N-propylnorapomorphine in rat brain.
50035906	9	ChEMBL_59882 (CHEMBL673008)	Compound was tested for inhibitory binding activity against dopamine receptor in rat striatal membranes using [3H]HAL as the radioligand.
50035906	5	ChEMBL_34047 (CHEMBL645290)	Compound was tested for its inhibitory effect on the binding profile in Alpha-2 adrenergic receptor using [3H]p-aminoclonidine in rat brain.
50035906	4	ChEMBL_33864 (CHEMBL643737)	Compound was tested for its inhibitory effect on the binding profile in Alpha-1 adrenergic receptor using [3H]prazosin in rat brain.
50048847	1	ChEMBL_2358 (CHEMBL617432)	Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.
50048848	1	ChEMBL_40449 (CHEMBL652387)	Inhibition of [3H]- rolipram binding to rat cerebral cortex membranes
50048848	2	ChEMBL_157219 (CHEMBL769543)	Inhibition of calcium-independent Phosphodiesterase 4
50048848	3	ChEMBL_157220 (CHEMBL769544)	Inhibition of [3H]- rolipram binding to phosphodiesterase 4 of rat cerebral cortex membranes.
50048848	4	ChEMBL_42947 (CHEMBL656312)	Inhibition of cAMP-specific calcium-independent phosphodiesterase (IPDE).
50048848	5	ChEMBL_42946 (CHEMBL884266)	Inhibition of cAMP-specific calcium-independent phosphodiesterase (IPDE)
50033414	1	ChEMBL_748672 (CHEMBL1780525)	Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay
50033414	2	ChEMBL_748671 (CHEMBL1780524)	Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay
50033415	1	ChEMBL_748820 (CHEMBL1781668)	Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins
50033415	2	ChEMBL_748824 (CHEMBL1780806)	Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using arachidonic acid as substrate after 10 mins by RP-HPLC analysis
50033415	3	ChEMBL_748822 (CHEMBL1781670)	Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presence of exogenous arachidonic acid
50033416	1	ChEMBL_748877 (CHEMBL1781041)	Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3
50033416	2	ChEMBL_748879 (CHEMBL1781043)	Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3
50033416	3	ChEMBL_748876 (CHEMBL1781040)	Inhibition of recombinant Mycobacterium tuberculosis Rv1284 carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay at pH 7.5
50033416	4	ChEMBL_748878 (CHEMBL1781042)	Inhibition of recombinant Mycobacterium tuberculosis Rv3273 carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay at pH 7.5
50033417	1	ChEMBL_748932 (CHEMBL1781380)	Antagonist activity at rat P2X7 receptor by calcium flux assay
50000709	10	ChEMBL_146440 (CHEMBL757337)	Compound was evaluated for its binding affinity against opioid receptor delta subtype in guinea pig brain (minus cerebellum) using [3H]-DADLE as radioligand.
50041184	5	ChEMBL_54726 (CHEMBL668339)	Inhibitory activity against Escherichia coli dihydrofolate reductase
50033417	3	ChEMBL_748939 (CHEMBL1781387)	Inhibition of human ERG by voltage-clamp electrophysiology
50041184	4	ChEMBL_53615 (CHEMBL858229)	Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase
50041184	3	ChEMBL_53630 (CHEMBL666659)	Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase
50033418	1	ChEMBL_748951 (CHEMBL1781399)	Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction
50033418	2	ChEMBL_748955 (CHEMBL1781403)	Inhibition of human ERG
50033418	3	ChEMBL_748957 (CHEMBL1781405)	Agonist activity at motilin receptor
50033420	1	ChEMBL_749032 (CHEMBL1781817)	Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liquid scintillation counting
50000917	9	ChEMBL_30694 (CHEMBL644769)	Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to Adenosine A2 receptor in rat striatal membranes in the presence of 50 nM cyclopentyladenosine
50000917	8	ChEMBL_31035 (CHEMBL638323)	Binding affinity carried out with [3H]5'-(N-ethylcarbamoyl)-adenosine in the presence of 50 nM cyclopentyladenosine in rat striatal membranes against adenosine A2 receptor.
50000917	7	ChEMBL_30695 (CHEMBL644770)	Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to adenosine A2 receptor in rat striatal membranes with 50 nM cyclopentyladenosine
50048849	1	ChEMBL_161403 (CHEMBL768312)	Inhibition of cAMP-dependent protein kinase (PKA).
50048849	2	ChEMBL_161411 (CHEMBL768403)	Inhibition of protein kinase C (PKC)
50033421	2	ChEMBL_749147 (CHEMBL1780744)	Binding affinity to guinea pig CRTh2 receptor
50033421	3	ChEMBL_749146 (CHEMBL1780743)	Binding affinity to rat CRTh2 receptor
50033421	4	ChEMBL_749145 (CHEMBL1780742)	Binding affinity to mouse CRTh2 receptor
50033421	5	ChEMBL_749144 (CHEMBL1780741)	Inhibition of CYP2D6
50033421	6	ChEMBL_749143 (CHEMBL1780740)	Inhibition of CYP2C19
50033421	7	ChEMBL_749142 (CHEMBL1780739)	Inhibition of CYP2C9
50033421	8	ChEMBL_749141 (CHEMBL1780738)	Inhibition of CYP3A4
50033421	9	ChEMBL_749140 (CHEMBL1780737)	Inhibition of CYP1A2
50048849	3	ChEMBL_161413 (CHEMBL768405)	Displacement of ATP from protein kinase C (PKC)
50048849	4	ChEMBL_161405 (CHEMBL768314)	Displacement of ATP from protein kinase A (PKA)
50033422	1	ChEMBL_749157 (CHEMBL1780754)	Inhibition of human SGLT2 expressed in CHO cells using methyl-alpha-D-glucopyranoside by liquid scintillation counting
50033424	1	ChEMBL_749194 (CHEMBL1780922)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole cell binding assay
50033425	1	ChEMBL_748689 (CHEMBL1780542)	Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells
50033425	2	ChEMBL_748690 (CHEMBL1780543)	Displacement of [3H]-AVP from human vasopressin V1A receptor expressed in CHO cell membranes
50033425	3	ChEMBL_748691 (CHEMBL1780544)	Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cell membranes
50033425	4	ChEMBL_748692 (CHEMBL1780545)	Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells
50033425	5	ChEMBL_748694 (CHEMBL1780547)	Antagonist activity at human vasopressin V1B receptor expressed in CHO cells assessed as inhibition of AVP-induced calcium mobilisation by luciferase reporter gene assay
50033426	1	ChEMBL_748715 (CHEMBL1780568)	Inhibition of PDE10A
50033426	2	ChEMBL_748720 (CHEMBL1780573)	Inhibition of PDE4d6
50033427	1	ChEMBL_748738 (CHEMBL1780591)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting
50033427	2	ChEMBL_748739 (CHEMBL1780592)	Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells by scintillation counting
50033427	3	ChEMBL_748740 (CHEMBL1780593)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells by scintillation counting
50033427	4	ChEMBL_748741 (CHEMBL1780594)	Displacement of radiolabeled oxytocin from human oxytocin receptor expressed in CHO cells by scintillation counting
50033428	1	ChEMBL_748762 (CHEMBL1780615)	Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay
50033428	2	ChEMBL_748773 (CHEMBL1780626)	Inhibition of human ERG by HT patch clamp assay
50033428	3	ChEMBL_748774 (CHEMBL1780627)	Inhibition of FYN
50033428	4	ChEMBL_748775 (CHEMBL1780628)	Inhibition of SRC-related membrane-associated tyrosine kinase
50033429	1	ChEMBL_748814 (CHEMBL1781662)	Inhibition of c-Src using AEEEIYGEFEAKKKK substrate by fluorescence intensity assay
50033430	1	ChEMBL_751246 (CHEMBL1787614)	Inhibition of aromatase in human placental microsomes assessed as inhibition of aromatization of [1,2,6,7-3H] androstenedione by flow scintillation analysis
50033431	1	ChEMBL_751249 (CHEMBL1787617)	Inhibition of human renin
50033432	1	ChEMBL_751250 (CHEMBL1787618)	Inhibition of electric eel AChE assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addition measured by spectrophotometry
50033432	2	ChEMBL_751251 (CHEMBL1787619)	Inhibition of equine serum BuChE assessed as inhibition of butyrylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addition measured by spectrophotometry
50033433	1	ChEMBL_751964 (CHEMBL1785906)	Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay
50033433	2	ChEMBL_751965 (CHEMBL1785907)	Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay
50033433	3	ChEMBL_751966 (CHEMBL1785908)	Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay
50033433	4	ChEMBL_751967 (CHEMBL1785909)	Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay
50033434	1	ChEMBL_752063 (CHEMBL1786227)	Binding affinity to wild type androgen receptor by competitive binding assay
50033434	2	ChEMBL_752066 (CHEMBL1786230)	Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by luciferase reporter gene assay
50033435	1	ChEMBL_752073 (CHEMBL1786237)	Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by off-chip mobility shift method
50033435	2	ChEMBL_752074 (CHEMBL1786238)	Inhibition of human Pim2 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 90 mins by off-chip mobility shift method
50033435	3	ChEMBL_752085 (CHEMBL1786249)	Inhibition of CYP1A2 in human liver microsomes
50033435	4	ChEMBL_752086 (CHEMBL1786250)	Inhibition of CYP2C9 in human liver microsomes
50033435	5	ChEMBL_752087 (CHEMBL1786251)	Inhibition of CYP2C19 in human liver microsomes
50033435	6	ChEMBL_752088 (CHEMBL1786252)	Inhibition of CYP2D6 in human liver microsomes
50033435	7	ChEMBL_752181 (CHEMBL1786557)	Inhibition of CYP3A4 in human liver microsomes
50033436	1	ChEMBL_752182 (CHEMBL1786558)	Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting
50033436	2	ChEMBL_752183 (CHEMBL1786559)	Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay
50033437	1	ChEMBL_752205 (CHEMBL1786581)	Inhibition of fluorescence-labeled 17beta-estradiol binding to ERalpha receptor after 2 hrs by fluorometric analysis
50033438	1	ChEMBL_751703 (CHEMBL1788054)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counter
50033439	1	ChEMBL_751786 (CHEMBL1785541)	Inhibition of His6-tagged recombinant Plasmodium falciparum dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 to 15 mins by DCIP dye-based assay
50033439	2	ChEMBL_751788 (CHEMBL1785543)	Inhibition of His6-tagged recombinant human dihydroorotate dehydrogenase expressed in Escherichia coli using L-dihydroorotate as substrate after 10 to 15 mins by DCIP dye-based assay
50033440	1	ChEMBL_751986 (CHEMBL1785928)	Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	2	ChEMBL_751987 (CHEMBL1785929)	Inhibition of FGFR2 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	3	ChEMBL_751988 (CHEMBL1785930)	Inhibition of FGFR3 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	4	ChEMBL_751989 (CHEMBL1786060)	Inhibition of FGFR4 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	5	ChEMBL_751990 (CHEMBL1786061)	Inhibition of VEGFR1 using poly(Glu-Tyr)4:1 as substrate measured after 60 mins by ELISA
50033440	6	ChEMBL_751991 (CHEMBL1786062)	Inhibition of VEGFR2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	7	ChEMBL_751992 (CHEMBL1786063)	Inhibition of PDGFRalpha using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	8	ChEMBL_751993 (CHEMBL1786064)	Inhibition of PDGFRbeta using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	9	ChEMBL_751994 (CHEMBL1786065)	Inhibition of c-kit expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	10	ChEMBL_751995 (CHEMBL1786066)	Inhibition of RET expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	11	ChEMBL_751996 (CHEMBL1786067)	Inhibition of EGFR2 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	12	ChEMBL_752089 (CHEMBL1786253)	Inhibition of c-Src expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	13	ChEMBL_752090 (CHEMBL1786254)	Inhibition of Abl using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	14	ChEMBL_752091 (CHEMBL1786255)	Inhibition of EphA2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	15	ChEMBL_752092 (CHEMBL1786256)	Inhibition of EphB2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	16	ChEMBL_752093 (CHEMBL1786257)	Inhibition of c-Met expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033440	18	ChEMBL_752095 (CHEMBL1786259)	Inhibition of IGF1R expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA
50033441	2	ChEMBL_750820 (CHEMBL1786054)	Antagonist activity at TRPV1 channel in C57B1 mouse dorsal root ganglion cells assessed as inhibition of capsaicin-induced calcium flux by fluorometric analysis
50048850	1	ChEMBL_42939 (CHEMBL654581)	Inhibition of [3H]cAMP (NEN NET-275) binding to Calcium-Independent Phosphodiesterase from rat brain.
50048850	2	ChEMBL_176821 (CHEMBL780514)	Inhibition of [3H]rolipram binding to rat brain membranes.
50035911	10	ChEMBL_33476 (CHEMBL649807)	Compound was tested in vitro for binding affinity for alpha-2 adrenergic receptor
50035911	9	ChEMBL_33248 (CHEMBL643528)	Compound was tested in vitro for binding affinity for alpha-1 adrenergic receptor
50035911	11	ChEMBL_2366 (CHEMBL617440)	Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 2 receptor
50048851	1	ChEMBL_156774 (CHEMBL756938)	Inhibition of canine heart phosphodiesterase 4
50035915	3	ChEMBL_61489 (CHEMBL672391)	Compound was tested for binding affinity to dopamine reuptake sites in the tissue homogenates prepared from primate rat striatum using [3H]CFT as radioligand
50035915	4	ChEMBL_201637 (CHEMBL806538)	Compound was tested for binding affinity to Serotonin transporter sites in homogenates prepared from rat cortical membranes using [3H]paroxetine as radioligand
50033443	4	ChEMBL_751027 (CHEMBL1786812)	Agonist activity at human P2Y4
50033443	5	ChEMBL_751015 (CHEMBL1786670)	Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by scintillation proximity assay
50033444	1	ChEMBL_751030 (CHEMBL1786815)	Non-competitive inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis
50033445	1	ChEMBL_751031 (CHEMBL1786816)	Inhibition of chicken myosin 5a assessed as ATP hydrolysis
50033445	2	ChEMBL_751034 (CHEMBL1786819)	Inhibition of Dictyostelium discoideum myosin 5b ATPase activity by spectrophotometric analysis
50033446	1	ChEMBL_751104 (CHEMBL1787041)	Inhibition of recombinant human MMP-1 assessed as substrate cleavage after 20 hrs by fluorescence assay
50033446	3	ChEMBL_751105 (CHEMBL1787042)	Inhibition of CYP3A4
50033446	4	ChEMBL_751107 (CHEMBL1787044)	Inhibition of recombinant human MMP-2 assessed as substrate cleavage after 20 hrs by fluorescence assay
50035917	17	ChEMBL_138934 (CHEMBL746583)	Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand
50035917	8	ChEMBL_139319 (CHEMBL752312)	Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat heart.
50035917	11	ChEMBL_70873 (CHEMBL684531)	Inhibition of methacholine induced phasic contraction of guinea pig ileum
50035917	14	ChEMBL_139320 (CHEMBL752313)	Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes
50033446	6	ChEMBL_751102 (CHEMBL1787039)	Inhibition of recombinant human MMP-13 assessed as substrate cleavage after 20 hrs by fluorescence assay
50033446	8	ChEMBL_751126 (CHEMBL1787063)	Inhibition of human ERG
50035917	12	ChEMBL_139322 (CHEMBL749927)	Inhibition of [3H]pirenzepine binding against muscarinic acetylcholine receptor in rat brain.
50035917	13	ChEMBL_138385 (CHEMBL749219)	Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guinea pig ileum
50035917	9	ChEMBL_139317 (CHEMBL752310)	The compound was tested for inhibition of [3H]NMS binding against muscarinic acetylcholine receptor in rat brain
50035917	15	ChEMBL_139321 (CHEMBL749926)	The compound was tested for inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes
50035917	5	ChEMBL_138980 (CHEMBL747472)	The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.
50035917	4	ChEMBL_139202 (CHEMBL743913)	The compound was tested for binding activity against muscarinic acetylcholine receptor M1, using [3H]QNB as the radioligand.
50048852	1	ChEMBL_36337 (CHEMBL650164)	Binding affinity against Angiotensin II receptor, from rat adrenal gland
50048852	2	ChEMBL_36338 (CHEMBL650165)	Binding affinity for rat brain Angiotensin II receptor
50033447	1	ChEMBL_751484 (CHEMBL1787264)	Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required for 50% recovery of Pdcd4-luciferase signal incubated for 8 hrs by luciferase reporter gene assay
50033448	1	ChEMBL_751559 (CHEMBL1787485)	Inhibition of human GST-tagged-Pin1 PPIase activity using Suc-AEPF-pNA as substrate by Michaelis-Menten equation
50033448	2	ChEMBL_751560 (CHEMBL1787486)	Competitive inhibition of human GST-tagged-Pin1 PPIase activity using WFYpSPR-pNA as substrate by Michaelis-Menten equation
50033449	1	ChEMBL_751566 (CHEMBL1787492)	Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization
50033449	2	ChEMBL_751567 (CHEMBL1787493)	Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting
50033450	1	ChEMBL_751575 (CHEMBL1787636)	Inhibition of recombinant PTP1B catalytic domain using pNPP as substrate assessed as pNP release
50033450	2	ChEMBL_751577 (CHEMBL1787638)	Binding affinity at PKCgamma after 1 hr by luminescent kinase assay
50033451	1	ChEMBL_751812 (CHEMBL1785567)	Inhibition of human BRAF using MEK1 (K97R), ATP substrate by Hotspot assay
50033451	2	ChEMBL_751814 (CHEMBL1785569)	Inhibition of human Aurora A using H-LRRASLG peptide substrate by Hotspot assay
50033451	4	ChEMBL_751816 (CHEMBL1785571)	Inhibition of human c-Kit using poly[Glu:Tyr] by Hotspot assay
50033451	5	ChEMBL_751817 (CHEMBL1785572)	Inhibition of human c-Met using KKKSPGEYVNIEFG peptide substrate by Hotspot assay
50033451	6	ChEMBL_751818 (CHEMBL1785573)	Inhibition of human EGFR using poly[Glu:Tyr] by Hotspot assay
50033451	7	ChEMBL_751822 (CHEMBL1785577)	Inhibition of human EPHA2 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	8	ChEMBL_751823 (CHEMBL1785578)	Inhibition of human EPHA3 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	9	ChEMBL_751824 (CHEMBL1785579)	Inhibition of human EPHA7 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	10	ChEMBL_751825 (CHEMBL1785580)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG peptide substrate by Hotspot assay
50033451	11	ChEMBL_751826 (CHEMBL1785581)	Inhibition of human FGFR2 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	12	ChEMBL_751827 (CHEMBL1785582)	Inhibition of human FGFR3 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	13	ChEMBL_751828 (CHEMBL1785583)	Inhibition of human FGFR4 using poly[Glu:Tyr] peptide substrate by Hotspot assay
50033451	14	ChEMBL_751829 (CHEMBL1785584)	Inhibition of human VEGFR1 using poly[Glu:Tyr] by Hotspot assay
50033451	15	ChEMBL_751830 (CHEMBL1785585)	Inhibition of human VEGFR2 using poly[Glu:Tyr] by Hotspot assay
50033451	17	ChEMBL_751832 (CHEMBL1785587)	Inhibition of human FMS using poly[Glu:Tyr] by Hotspot assay
50033451	19	ChEMBL_751368 (CHEMBL1785329)	Inhibition of human JAK1 using poly[Glu:Tyr] by Hotspot assay
50033451	20	ChEMBL_751369 (CHEMBL1785330)	Inhibition of human JAK2 using poly[Glu:Tyr] by Hotspot assay
50033451	21	ChEMBL_751370 (CHEMBL1785331)	Inhibition of human JAK3 using GEEEEYFELVKKKK peptide substrate by Hotspot assay
50033451	23	ChEMBL_751373 (CHEMBL1785334)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] by Hotspot assay
50033451	24	ChEMBL_751374 (CHEMBL1785335)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] by Hotspot assay
50033451	25	ChEMBL_751375 (CHEMBL1785336)	Inhibition of human RET using KKKSPGEYVNIEFG by Hotspot assay
50033451	26	ChEMBL_751376 (CHEMBL1785337)	Inhibition of human Tie2/TEK using poly[Glu:Tyr] by Hotspot assay
50033451	27	ChEMBL_751377 (CHEMBL1785338)	Inhibition of human Src using poly[Glu:Tyr] by Hotspot assay
50033451	29	ChEMBL_751378 (CHEMBL1785339)	Inhibition of wild type human ABL using [EAIYAAPFAKKK] peptide substrate by Hotspot assay
50033452	1	ChEMBL_751382 (CHEMBL1785343)	Inhibition of JNK1 by TR-FRET assay
50033452	2	ChEMBL_751380 (CHEMBL1785341)	Inhibition of JNK3 by TR-FRET assay
50033452	3	ChEMBL_751381 (CHEMBL1785342)	Inhibition of JNK2 by TR-FRET assay
50033453	1	ChEMBL_752252 (CHEMBL1785941)	Inhibition of BRCA1 by fluorescence polarization assay
50033453	2	ChEMBL_752253 (CHEMBL1785942)	Binding affinity to BRCA1 by isothermal titration calorimetric assay
50033454	1	ChEMBL_752254 (CHEMBL1785943)	Inhibition of human recombinant aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate by fluorimetric analysis
50033456	1	ChEMBL_750527 (CHEMBL1786288)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins
50033456	2	ChEMBL_750528 (CHEMBL1786289)	Binding affinity to human 5HT1A receptor expressed in CHO cells after 10 mins by confocal microscopy
50048852	3	ChEMBL_36329 (CHEMBL650156)	Binding affinity against Angiotensin II receptor, from rat brain
50033458	1	ChEMBL_750637 (CHEMBL1785483)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50033458	2	ChEMBL_750730 (CHEMBL1785849)	Inhibition of human muscarinic M1 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay
50033458	3	ChEMBL_750729 (CHEMBL1785848)	Inhibition of human 5HT7 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay
50033458	4	ChEMBL_750728 (CHEMBL1785847)	Inhibition of human 5HT4 receptor expressed in CHO cells after 5 hrs by luciferase reporter assay
50033459	1	ChEMBL_749304 (CHEMBL1785239)	Inhibition of p38alpha
50033460	1	ChEMBL_749305 (CHEMBL1785240)	Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate
50033460	2	ChEMBL_749307 (CHEMBL1785088)	Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for binary enzyme-inhibitor complex using NAD+ substrate by Lineweaver-Burk plot method
50033460	3	ChEMBL_749308 (CHEMBL1785089)	Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for ternary enzyme-substrate-inhibitor complex using NAD+ substrate by Lineweaver-Burk plot method
50033460	4	ChEMBL_749309 (CHEMBL1785090)	Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for binary enzyme-inhibitor complex using D-glyceraldehyde-3-phosphate substrate by Lineweaver-Burk plot method
50033460	5	ChEMBL_749310 (CHEMBL1785091)	Non-competitive inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli assessed as dissociation constant for ternary enzyme-substrate-inhibitor complex using D-glyceraldehyde-3-phosphate substrate by Lineweaver-Burk plot method
50033462	1	ChEMBL_749400 (CHEMBL1785190)	Inhibition of purified human plasma BuChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method
50033462	2	ChEMBL_749399 (CHEMBL1785189)	Inhibition of human recombinant AChE preincubated for 30 mins before DTNB substrate addition by spectrophotometric assay based Ellman's method
50033463	1	ChEMBL_749421 (CHEMBL1786602)	Inhibition of MK2 using biotin-LCAYSRALSRQLSSGVSEIRH substrate
50033464	1	ChEMBL_749508 (CHEMBL1786966)	Inhibition of human recombinant MAOA expressed in BTI insect cells using p-tyramine substrate by fluorometric method
50033464	2	ChEMBL_749510 (CHEMBL1786968)	Inhibition of human recombinant MAOB expressed in BTI insect cells using p-tyramine substrate by fluorometric method
50033465	1	ChEMBL_749784 (CHEMBL1787944)	Inhibition of PYK2 assessed as reduction in peptide substrate phosphorylation by fluorimetric method
50000626	3	ChEMBL_196934 (CHEMBL803951)	Inhibition of HIV-1 reverse transcriptase from peripheral blood mononuclear cells
50048853	1	ChEMBL_46146 (CHEMBL660019)	The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand
50033465	2	ChEMBL_749785 (CHEMBL1787945)	Inhibition of PYK2 by PYK2-LI-COR cellular assay
50048853	2	ChEMBL_46147 (CHEMBL660020)	The compound was tested in vitro for binding activity against THC cannabinoid receptor site, using 3H-CP-55940 as the radioligand.
50000603	9	ChEMBL_216001 (CHEMBL820504)	Binding affinity against alpha-1 adrenergic receptor in rat cerebral cortex tissue using [3H]WB-4101 as radioligand
50000603	10	ChEMBL_33837 (CHEMBL647468)	Binding affinity against Alpha-1 adrenergic receptor of rat cerebral cortex with [3H]WB-4101
50033465	3	ChEMBL_749786 (CHEMBL1787946)	Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization assay
50033466	1	ChEMBL_749801 (CHEMBL1787961)	Inhibition of NHE1-mediated rat platelet swelling
50033467	1	ChEMBL_749915 (CHEMBL1786745)	Antagonist activity at human mGluR5
50033467	2	ChEMBL_749914 (CHEMBL1786744)	Antagonist activity at rat mGluR1
50035922	4	ChEMBL_160734 (CHEMBL767112)	The compound was tested for binding activity against HIV-1 Protease
50035922	6	ChEMBL_160735 (CHEMBL767113)	The compound was tested for binding activity against HIV-1 protease
50035923	10	ChEMBL_58216 (CHEMBL669946)	The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.
50035923	9	ChEMBL_58214 (CHEMBL669944)	The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state.
50035923	11	ChEMBL_60356 (CHEMBL672091)	The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1
50035924	7	ChEMBL_31030 (CHEMBL638319)	Inhibition of [3H]- NECA binding to adenosine receptor A2
50000712	2	ChEMBL_158267 (CHEMBL762447)	Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells using prostaglandin G/H synthase assay
50033468	1	ChEMBL_750092 (CHEMBL1787509)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells
50033468	2	ChEMBL_750093 (CHEMBL1787510)	Antagonist activity at human 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation
50033469	1	ChEMBL_750098 (CHEMBL1787515)	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in HEK293 cells incubated for 16 hrs by hypoxia response element-driven luciferase reporter gene assay
50033470	1	ChEMBL_750233 (CHEMBL1788074)	Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method
50033470	2	ChEMBL_750105 (CHEMBL1787522)	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method
50033470	3	ChEMBL_750104 (CHEMBL1787521)	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method
50033471	1	ChEMBL_750244 (CHEMBL1788085)	Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry
50033472	1	ChEMBL_750427 (CHEMBL1785979)	Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells
50033472	2	ChEMBL_750426 (CHEMBL1785978)	Negative allosteric modulator activity at rat calcium sensing receptor expressed in HEK cells
50033473	1	ChEMBL_750451 (CHEMBL1786003)	Antagonist activity at human histamine H1 receptor in SK-N-SH cells assessed as inhibition of histamine-induced calcium level increase during phase-1 compound incubated before histamine addition by Fura-2 based fluorometric assay
50033473	2	ChEMBL_750452 (CHEMBL1786004)	Antagonist activity at human recombinant 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced intracellular cAMP accumulation by LANCE technique
50033473	3	ChEMBL_750450 (CHEMBL1786002)	Inhibition of BuChE
50033473	4	ChEMBL_750445 (CHEMBL1785997)	Antagonist activity at human histamine H1 receptor in SK-N-SH cells assessed as inhibition of histamine-induced calcium flow during phase-II compound dosed after histamine addition by Fura-2 based fluorometric assay
50033473	5	ChEMBL_750449 (CHEMBL1786001)	Inhibition of AChE
50033474	1	ChEMBL_750533 (CHEMBL1786294)	Positive allosteric modulation of mGluR5
50033474	2	ChEMBL_750540 (CHEMBL1786301)	Inhibition of mGluR8
50035930	2	ChEMBL_34007 (CHEMBL643636)	Inhibitory activity against Alpha-1 adrenergic receptor by 3H ligand binding experiments.
50033474	4	ChEMBL_750533 (CHEMBL1786294)	Positive allosteric modulation of mGluR5
50033474	6	ChEMBL_750536 (CHEMBL1786297)	Inhibition of mGluR2
50033474	7	ChEMBL_750537 (CHEMBL1786298)	Inhibition of mGluR3
50033474	8	ChEMBL_750538 (CHEMBL1786299)	Inhibition of mGluR4
50033474	9	ChEMBL_750539 (CHEMBL1786300)	Inhibition of mGluR7
50033475	1	ChEMBL_750541 (CHEMBL1786302)	Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates
50033475	2	ChEMBL_750542 (CHEMBL1786303)	Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates
50033475	3	ChEMBL_750549 (CHEMBL1786310)	Inhibition of CYP1A2
50033475	4	ChEMBL_750550 (CHEMBL1786311)	Inhibition of CYP3A4
50033475	5	ChEMBL_750551 (CHEMBL1786312)	Inhibition of CYP2C9
50033475	6	ChEMBL_750552 (CHEMBL1786313)	Inhibition of CYP2D6
50048854	1	ChEMBL_42948 (CHEMBL656313)	Inhibition of phosphodiesterase 4 from rat brain cortex
50048854	2	ChEMBL_157210 (CHEMBL768861)	Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain
50048854	3	ChEMBL_42949 (CHEMBL656314)	Inhibition of phosphodiesterase 4 in rat brain cortex
50033477	1	ChEMBL_750656 (CHEMBL1785502)	Inhibition of ovine COX1 by chemiluminescent assay
50033477	2	ChEMBL_750657 (CHEMBL1785503)	Inhibition of ovine COX2 by chemiluminescent assay
50033478	1	ChEMBL_750666 (CHEMBL1785512)	Inhibition of COX2-mediated PGE2 production in LPS-induced mouse MC3T3-E1 cells
50033478	2	ChEMBL_750667 (CHEMBL1785513)	Inhibition of COX2 catalytic activity
50033479	1	ChEMBL_750676 (CHEMBL1785658)	Antagonist activity at yeast GAL4 fused mouse RARalpha ligand binding domain expressed in HeLa cells assessed as inhibition of TTNPB-induced receptor transactivation by luciferase reporter gene assay
50033479	2	ChEMBL_749249 (CHEMBL1785132)	Antagonist activity at yeast GAL4 fused mouse RARbeta ligand binding domain expressed in HeLa cells assessed as inhibition of TTNPB-induced receptor transactivation by luciferase reporter gene assay
50033479	3	ChEMBL_749250 (CHEMBL1785133)	Antagonist activity at yeast GAL4 fused mouse RARgamma ligand binding domain expressed in HeLa cells assessed as inhibition of TTNPB-induced receptor transactivation by luciferase reporter gene assay
50033480	1	ChEMBL_750564 (CHEMBL1786428)	Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in presence of 0.01% Triton X-100 by modified Goldstein method
50033480	2	ChEMBL_750565 (CHEMBL1786429)	Inhibition of protein tyrosine phosphatase-1B at 10 uM incubated for 10 mins using pNPP substrate in absence of Triton X-100 by modified Goldstein method
50035931	3	ChEMBL_196882 (CHEMBL807534)	Competitive inhibitory activity against rat liver S-adenosyl-L-homocysteine hydrolase
50048855	1	ChEMBL_138788 (CHEMBL872434)	In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.
50048855	2	ChEMBL_138787 (CHEMBL747415)	In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.
50048855	3	ChEMBL_73104 (CHEMBL684492)	Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.
50033481	2	ChEMBL_750693 (CHEMBL1785675)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in C57BL/6J mouse hippocampal membrane
50048855	4	ChEMBL_73105 (CHEMBL684493)	Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.
50033482	1	ChEMBL_749354 (CHEMBL1785144)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50033482	2	ChEMBL_749355 (CHEMBL1785145)	Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat cortical hemispheres
50033483	1	ChEMBL_749581 (CHEMBL1787190)	Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells
50033483	2	ChEMBL_749577 (CHEMBL1787186)	Antagonist activity at human recombinant NPYY5 receptor expressed in mouse LMtk- cells co-expressing Gqi5 assessed as inhibition of NPY-induced calcium increase
50033483	3	ChEMBL_749576 (CHEMBL1787185)	Displacement of [35S]N-[(4R)-10-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,40-piperidin]-6-yl]methanesulfonamide from human ERG expressed in HEK293 cells
50033483	4	ChEMBL_749575 (CHEMBL1787184)	Binding affinity to human NPYY1
50033483	5	ChEMBL_749573 (CHEMBL1787182)	Binding affinity to human NPYY2
50033483	6	ChEMBL_749574 (CHEMBL1787183)	Binding affinity to human NPYY4
50033483	7	ChEMBL_749582 (CHEMBL1787191)	Binding affinity to human NPYY5 receptor
50033484	1	ChEMBL_749957 (CHEMBL1786934)	Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counting
50033484	2	ChEMBL_749960 (CHEMBL1786937)	Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counting
50033484	3	ChEMBL_749956 (CHEMBL1786933)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) substrate after 30 mins by scintillation counting
50033484	4	ChEMBL_749961 (CHEMBL1786938)	Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting
50033484	5	ChEMBL_749962 (CHEMBL1786939)	Inhibition of CLK1
50033484	6	ChEMBL_749963 (CHEMBL1786940)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin basic protein after 30 mins by scintillation counting
50033484	7	ChEMBL_749959 (CHEMBL1786936)	Inhibition of Plasmodium falciparum GSK3
50033484	8	ChEMBL_749965 (CHEMBL1786942)	Inhibition of CDK1/cyclin B
50033485	1	ChEMBL_749975 (CHEMBL1786952)	Inhibition of KIT2
50033485	2	ChEMBL_749974 (CHEMBL1786951)	Inhibition of KDR
50033485	3	ChEMBL_749973 (CHEMBL1786950)	Inhibition of FGFR1
50033485	4	ChEMBL_749972 (CHEMBL1786949)	Inhibition of AKT2
50033485	5	ChEMBL_749971 (CHEMBL1786948)	Inhibition of CSF1R
50033485	6	ChEMBL_749970 (CHEMBL1786947)	Inhibition of FLT3
50033485	8	ChEMBL_750029 (CHEMBL1787306)	Inhibition of CDK2
50033485	10	ChEMBL_750031 (CHEMBL1787308)	Inhibition of Chk2
50033485	11	ChEMBL_749968 (CHEMBL1786945)	Inhibition of LCK2
50033486	1	ChEMBL_750034 (CHEMBL1787311)	Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells
50033486	2	ChEMBL_750035 (CHEMBL1787312)	Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells
50033487	1	ChEMBL_750036 (CHEMBL1787313)	Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as reduction in [14C]-alpha-methylglucopyranoside uptake after 2 hrs by liquid scintillation counting
50033488	1	ChEMBL_750037 (CHEMBL1787314)	Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrate addition measured after 0.75 hrs by beta scintillation counting
50033489	1	ChEMBL_750495 (CHEMBL1786159)	Antagonist activity at human CCR2 by whole blood assay
50033489	2	ChEMBL_750496 (CHEMBL1786160)	Displacement of labeled dofetilide from human ERG
50033489	4	ChEMBL_750494 (CHEMBL1786158)	Displacement of [125I]MCP1 from human CCR2 preincubated for 30 mins by human whole cell binding assay
50033490	1	ChEMBL_750608 (CHEMBL1785454)	Agonist activity at PPARalpha
50033490	2	ChEMBL_750607 (CHEMBL1786471)	Partial agonist activity at PPARdelta
50033490	3	ChEMBL_750604 (CHEMBL1786468)	Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activity
50033490	4	ChEMBL_750602 (CHEMBL1786466)	Antagonist activity at alphavbeta3 integrin receptor human VSMC assessed as inhibition of vitronectin-induced cell adhesion
50033490	5	ChEMBL_750601 (CHEMBL1786465)	Antagonist activity at alpha2bbeta3 integrin receptor
50033490	6	ChEMBL_750600 (CHEMBL1786464)	Antagonist activity at alphavbeta3 integrin receptor
50033490	7	ChEMBL_750611 (CHEMBL1785457)	Inhibition of MMP12
50033491	1	ChEMBL_749283 (CHEMBL1785218)	Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50033491	2	ChEMBL_749284 (CHEMBL1785219)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs
50033491	3	ChEMBL_749286 (CHEMBL1785221)	Displacement of [3H]U69593 from KOR in guinea pig brain membranes after 2 hrs
50033491	4	ChEMBL_749285 (CHEMBL1785220)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs
50033491	5	ChEMBL_749287 (CHEMBL1785222)	Antagonist activity at NK1 receptor
50033491	6	ChEMBL_749288 (CHEMBL1785223)	Binding affinity to NK1 receptor
50033491	7	ChEMBL_749289 (CHEMBL1785224)	Agonist activity at mu opioid receptor in guinea pig ileum
50033491	8	ChEMBL_749290 (CHEMBL1785225)	Agonist activity at delta opioid receptor in mouse vas deference
50033492	1	ChEMBL_749381 (CHEMBL1785171)	Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELISA
50035933	2	ChEMBL_49348 (CHEMBL885075)	In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue
50048856	1	ChEMBL_33139 (CHEMBL642094)	Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane
50048856	2	ChEMBL_32753 (CHEMBL641150)	Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane
50033494	1	ChEMBL_750271 (CHEMBL1785400)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method
50033494	2	ChEMBL_750270 (CHEMBL1785399)	Inhibition of recombinant human serum BChE using butyrylthiocholine iodide as substrate by spectroscopic Ellmans method
50033494	3	ChEMBL_750354 (CHEMBL1785640)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by spectroscopic Ellmans method
50033495	1	ChEMBL_749585 (CHEMBL1787194)	Inhibition of human recombinant caspase-3 expressed in Saccharomyces cerevisiae CG379 assessed as growth stimulation after 2 days
50033496	1	ChEMBL_749999 (CHEMBL1787137)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting
50033496	2	ChEMBL_750209 (CHEMBL1787902)	Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins
50033496	3	ChEMBL_750210 (CHEMBL1787903)	Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins
50033496	4	ChEMBL_749997 (CHEMBL1787135)	Displacement of [3H]SCH 23390 from dopamine D1 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting
50033496	5	ChEMBL_749998 (CHEMBL1787136)	Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting
50033496	6	ChEMBL_750218 (CHEMBL1787911)	Binding affinity to 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins
50033496	7	ChEMBL_749761 (CHEMBL1787921)	Binding affinity to 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins
50033497	1	ChEMBL_750421 (CHEMBL1785973)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor PCP binding site in guinea pig brain by liquid scintillation counting
50033498	1	ChEMBL_751135 (CHEMBL1787217)	Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay
50033498	2	ChEMBL_751133 (CHEMBL1787070)	Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay
50033498	3	ChEMBL_751129 (CHEMBL1787066)	Inhibition of human erythrocytes AChE
50033498	4	ChEMBL_751130 (CHEMBL1787067)	Inhibition of human plasma AChE
50033498	5	ChEMBL_751131 (CHEMBL1787068)	Inhibition of human erythrocytes BChE
50033498	6	ChEMBL_751132 (CHEMBL1787069)	Inhibition of human plasma BChE
50033499	1	ChEMBL_751314 (CHEMBL1787992)	Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting
50033500	1	ChEMBL_751649 (CHEMBL1787847)	Inhibition of catalytic activity of recombinant human AP-N transfected in human HEK-293 cells assessed as cleavage of substrate L-leucine-p-nitroanilide to L-leucine and p-nitroaniline measured every 5 mins for 10 to 50 mins by spectrophotometric analysis
50033500	2	ChEMBL_751648 (CHEMBL1787846)	Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as cleavage of substrate L-leucine-p-nitroanilide to L-leucine and p-nitroaniline measured every 5 mins for 10 to 50 mins by spectrophotometric analysis
50033501	1	ChEMBL_751834 (CHEMBL1785589)	Displacement of [3H]estradiol from human full-length ERbeta receptor by competitive radiometric binding assay
50033501	2	ChEMBL_751835 (CHEMBL1785590)	Agonist activity at human full-length ERalpha receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50033501	3	ChEMBL_751837 (CHEMBL1785592)	Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50033501	4	ChEMBL_751841 (CHEMBL1785596)	Binding affinity to human full-length ERalpha receptor
50033501	5	ChEMBL_751842 (CHEMBL1785597)	Binding affinity to human full-length ERbeta receptor
50033502	1	ChEMBL_751845 (CHEMBL1785600)	Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human a-FABP by fluorescence spectrophotometry
50033502	2	ChEMBL_751846 (CHEMBL1785601)	Displacement of fluorescent 1-anilinonapthalene 8-sulfonic acid from human h-FABP by fluorescence spectrophotometry
50033503	1	ChEMBL_751947 (CHEMBL1785789)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes
50033503	2	ChEMBL_751948 (CHEMBL1785790)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes
50033503	3	ChEMBL_751949 (CHEMBL1785791)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes
50033503	4	ChEMBL_751945 (CHEMBL1785787)	Displacement of [3H]U69593 from kappa opioid receptor
50033503	5	ChEMBL_751946 (CHEMBL1785788)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membranes after 150 mins by scintillation counting
50033504	1	ChEMBL_750879 (CHEMBL1786324)	Displacement of radio-labeled full agonist from PPARgamma receptor
50033504	2	ChEMBL_750880 (CHEMBL1786325)	Agonist activity at PPARgamma receptor expressed in human HepG2 cells by PPRE-luciferase reporter gene assay
50033506	1	ChEMBL_754037 (CHEMBL1798469)	Inhibition of partially purified LSD1 using histone H3K4Me2 peptide substrate by peroxidase-coupled assay
50033507	1	ChEMBL_752653 (CHEMBL1799832)	Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay
50033507	2	ChEMBL_752652 (CHEMBL1799831)	Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay
50033508	1	ChEMBL_752660 (CHEMBL1799839)	Inhibition of human recombinant GST-tagged SIRT2 using acetylated HeLa histones substrate
50033508	2	ChEMBL_752661 (CHEMBL1799840)	Inhibition of human recombinant GST-tagged SIRT1 expressed in 293T cells by Fluor de Lys fluorescence assay
50033508	3	ChEMBL_752662 (CHEMBL1799841)	Inhibition of human recombinant GST-tagged SIRT2 by Fluor de Lys fluorescence assay
50033508	4	ChEMBL_752663 (CHEMBL1799842)	Inhibition of SIRT2
50033508	5	ChEMBL_752659 (CHEMBL1799838)	Inhibition of human recombinant GST-tagged SIRT1 using acetylated HeLa histones substrate
50033509	1	ChEMBL_752665 (CHEMBL1799844)	Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay
50033509	2	ChEMBL_752664 (CHEMBL1799843)	Inhibition of SIRT1
50033509	3	ChEMBL_752667 (CHEMBL1799846)	Inhibition of human N-terminally His6-tagged Sirt2 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay
50033509	4	ChEMBL_752812 (CHEMBL1798497)	Inhibition of human C-terminally His6-tagged Sirt3 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay
50033509	5	ChEMBL_752814 (CHEMBL1798499)	Inhibition of SIRT2
50033510	1	ChEMBL_752816 (CHEMBL1798501)	Inhibition of Sirt2
50033510	2	ChEMBL_752819 (CHEMBL1798504)	Inhibition of human Sirt2
50033510	3	ChEMBL_752820 (CHEMBL1798505)	Competitive inhibition of p300 HAT
50033510	4	ChEMBL_752821 (CHEMBL1798506)	Inhibition of lysine methyltransferase G9a
50033511	1	ChEMBL_752826 (CHEMBL1798511)	Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histone H4 (2-24) substrate by In-vitro time-resolved fluorescence immunosorbent acetyltransferase assay
50033511	2	ChEMBL_752825 (CHEMBL1798510)	Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histone H3 (1-21) substrate by In-vitro time-resolved fluorescence immunosorbent acetyltransferase assay
50033512	1	ChEMBL_753129 (CHEMBL1799129)	Inhibition of human LSD1
50033512	2	ChEMBL_753131 (CHEMBL1799131)	Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated for 20 mins with substrate measured after 30 mins by AmplexRed based fluorescence quenching assay
50033512	3	ChEMBL_753132 (CHEMBL1799132)	Inhibition of human truncated LSD1 lacking N-terminal 184 amino acids
50033513	1	ChEMBL_753234 (CHEMBL1799389)	Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader based method
50033514	1	ChEMBL_753235 (CHEMBL1799390)	Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA
50033514	2	ChEMBL_753240 (CHEMBL1799395)	Inhibition of methyl transferase activity of SET7/9 using biotinylated histone H3(1-21) substrate by In-vitro time resolved fluorescence immunosorbent methyltransferase assay
50033515	1	ChEMBL_753460 (CHEMBL1799890)	Inhibition of human recombinant catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033515	2	ChEMBL_753461 (CHEMBL1799891)	Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033515	3	ChEMBL_753459 (CHEMBL1799889)	Inhibition of human full length cytosolic isoform of carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033515	4	ChEMBL_753458 (CHEMBL1799888)	Inhibition of human full length cytosolic isoform of carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50033516	1	ChEMBL_753466 (CHEMBL1799896)	Inhibition of HDAC8 after 30 mins by fluorescence microplate reader
50033516	2	ChEMBL_753553 (CHEMBL1799171)	Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader
50033517	1	ChEMBL_753564 (CHEMBL1799182)	Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay
50033518	1	ChEMBL_753766 (CHEMBL1799647)	Inhibition of human MMP1 by fluorometric assay
50033518	2	ChEMBL_753767 (CHEMBL1799648)	Inhibition of human MMP2 by fluorometric assay
50033518	3	ChEMBL_753768 (CHEMBL1799649)	Inhibition of human MMP3 by fluorometric assay
50033518	4	ChEMBL_753769 (CHEMBL1799650)	Inhibition of human MMP8 by fluorometric assay
50033518	7	ChEMBL_753772 (CHEMBL1799653)	Inhibition of human MMP25 by fluorometric assay
50033519	1	ChEMBL_753876 (CHEMBL1798138)	Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min
50033520	1	ChEMBL_753990 (CHEMBL1798373)	Inhibition of IGF-1R assessed as incorporation of p33 using [gammaP33]-ATP by microplate scintillation counting
50033520	2	ChEMBL_753989 (CHEMBL1798372)	Inhibition of c-MET assessed as incorporation of p33 using [gammaP33]-ATP by microplate scintillation counting
50033520	3	ChEMBL_753991 (CHEMBL1798374)	Inhibition of SRC assessed as incorporation of p33 using [gammaP33]-ATP by microplate scintillation counting
50033521	1	ChEMBL_753266 (CHEMBL1799477)	Inhibition of bovine lens ALR2
50033522	1	ChEMBL_753797 (CHEMBL1799772)	Inhibition of electric eel AChE by colorimetric Ellman's assay
50033522	2	ChEMBL_753890 (CHEMBL1798234)	Inhibition of equine serum BChE by colorimetric Ellman's assay
50033523	1	ChEMBL_754085 (CHEMBL1798563)	Inhibition of LSD1
50033523	3	ChEMBL_754096 (CHEMBL1798574)	Inhibition of recombinant GST-tagged LSD1 expressed in baculovirus transfected Sf9 cells
50033523	4	ChEMBL_754097 (CHEMBL1798575)	Irreversible inhibition of LSD1
50033523	5	ChEMBL_754095 (CHEMBL1798573)	Reversible inhibition of LSD1
50033523	6	ChEMBL_754094 (CHEMBL1798572)	Inhibition of human PHD2
50033523	7	ChEMBL_754093 (CHEMBL1798571)	Inhibition of asparaginyl hydroxylase factor-inhibiting-HIF
50033523	10	ChEMBL_754090 (CHEMBL1798568)	Binding affinity to JMJD2E
50033523	11	ChEMBL_754089 (CHEMBL1798567)	Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate
50048856	3	ChEMBL_33477 (CHEMBL649808)	Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement in human platelet membranes
50033524	1	ChEMBL_754100 (CHEMBL1798578)	Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 3.0 and at 59 degC by differential scanning calorimetry
50033524	2	ChEMBL_754101 (CHEMBL1798579)	Binding affinity to Humicola insolens NCE5 assessed as dissociation constant at pH 4
50033525	1	ChEMBL_752620 (CHEMBL1799685)	Inhibition of human recombinant FAAH expressed in Escherichia coli using [3H]AEA substrate incubated at 37 degC for 10 mins by liquid scintillation counting method
50033526	1	ChEMBL_752772 (CHEMBL1798408)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by scintillation counting
50033526	2	ChEMBL_752770 (CHEMBL1798406)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cell membranes by scintillation counting
50033526	3	ChEMBL_752768 (CHEMBL1798404)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cell membranes by scintillation counting
50033527	1	ChEMBL_752777 (CHEMBL1798413)	Inhibition of bovine Xanthine oxidase assessed as reduction in uric acid level by spectrophotometry
50033528	1	ChEMBL_752881 (CHEMBL1798615)	Inhibition of JNK1
50033528	2	ChEMBL_752882 (CHEMBL1798616)	Inhibition of JNK3
50033528	3	ChEMBL_752883 (CHEMBL1798617)	Inhibition of ERK2
50033528	4	ChEMBL_752884 (CHEMBL1798618)	Inhibition of MK2
50033528	7	ChEMBL_752892 (CHEMBL1798626)	Inhibition of p38beta kinase
50033528	8	ChEMBL_752893 (CHEMBL1798627)	Inhibition of JNK2
50033528	9	ChEMBL_752865 (CHEMBL1798599)	Inhibition of p38alpha kinase-dependent HSP-27 phosphorylation in human U937 cells
50033528	10	ChEMBL_752885 (CHEMBL1798619)	Inhibition of MKK6
50033528	11	ChEMBL_752886 (CHEMBL1798620)	Inhibition of CDK2
50033528	13	ChEMBL_752888 (CHEMBL1798622)	Inhibition of IKK beta
50033528	14	ChEMBL_752889 (CHEMBL1798623)	Inhibition of AURKA
50033528	16	ChEMBL_752891 (CHEMBL1798625)	Inhibition of TBK1
50033528	17	ChEMBL_752895 (CHEMBL1798629)	Inhibition of BTK
50033528	18	ChEMBL_752896 (CHEMBL1798630)	Inhibition of CK1
50033528	19	ChEMBL_752897 (CHEMBL1798631)	Inhibition of CHK2
50033528	20	ChEMBL_752898 (CHEMBL1798632)	Inhibition of EGFR
50033528	21	ChEMBL_752899 (CHEMBL1798633)	Inhibition of FLT3
50033528	22	ChEMBL_753057 (CHEMBL1798985)	Inhibition of LYN
50033528	23	ChEMBL_753058 (CHEMBL1798986)	Inhibition of MEK1
50033528	24	ChEMBL_753059 (CHEMBL1798987)	Inhibition of MK3
50033528	25	ChEMBL_753060 (CHEMBL1798988)	Inhibition of ERK1
50033528	26	ChEMBL_753061 (CHEMBL1798989)	Inhibition of MKK4
50033528	27	ChEMBL_753062 (CHEMBL1798990)	Inhibition of MST2
50033528	29	ChEMBL_753064 (CHEMBL1798992)	Inhibition of SYK
50033528	30	ChEMBL_753065 (CHEMBL1798993)	Inhibition of Tie2
50033528	31	ChEMBL_753066 (CHEMBL1798994)	Inhibition of MKK7
50033528	32	ChEMBL_753067 (CHEMBL1798995)	Inhibition of ZAP70
50033528	33	ChEMBL_753068 (CHEMBL1798996)	Inhibition of MYT1
50033528	34	ChEMBL_753069 (CHEMBL1798997)	Inhibition of PLK3
50033529	1	ChEMBL_753077 (CHEMBL1799005)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033529	2	ChEMBL_753078 (CHEMBL1799006)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033529	3	ChEMBL_753079 (CHEMBL1799007)	Inhibition of human recombinant cytosolic carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033529	4	ChEMBL_753080 (CHEMBL1799008)	Inhibition of human recombinant cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033529	5	ChEMBL_753081 (CHEMBL1799009)	Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay
50033530	1	ChEMBL_753084 (CHEMBL1799012)	Antagonist activity at TLR8 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of CL075-induced NF-kappaB activation by reporter gene assay
50033530	2	ChEMBL_753082 (CHEMBL1799010)	Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 250 ug/ml of gardiquimod-induced NF-kappaB activation by reporter gene assay
50033530	3	ChEMBL_753083 (CHEMBL1799011)	Antagonist activity at TLR7 expressed in HEK293 cells co-transfected with NF-kappaB/sAP gene assessed as inhibition of 1 ug/ml of gardiquimod-induced NF-kappaB activation by reporter gene assay
50033533	1	ChEMBL_753273 (CHEMBL1799484)	Inhibition of mTOR-dependent S6K phosphorylation at T389 residue in MEF cells
50033533	2	ChEMBL_753291 (CHEMBL1799502)	Inhibition of PI4K alpha
50033533	3	ChEMBL_753292 (CHEMBL1799503)	Inhibition of PI4K beta
50033533	4	ChEMBL_753293 (CHEMBL1799504)	Inhibition of PI3K C2alpha
50033533	5	ChEMBL_753294 (CHEMBL1799505)	Inhibition of PI3K C2beta
50033533	6	ChEMBL_753295 (CHEMBL1799506)	Inhibition of human VPS34
50033533	9	ChEMBL_753298 (CHEMBL1799509)	Inhibition of P110gamma
50033533	10	ChEMBL_753194 (CHEMBL1799287)	Inhibition of mTOR
50033534	1	ChEMBL_753299 (CHEMBL1799510)	Inhibition of electric eel AChE by modified Ellman method
50033535	3	ChEMBL_753404 (CHEMBL1799739)	Inhibition of human ERG
50033535	1	ChEMBL_753403 (CHEMBL1799738)	Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr
50035934	2	ChEMBL_50695 (CHEMBL663240)	Inhibition of human placental microsome cytochrome P450 19A1
50035934	11	ChEMBL_177197 (CHEMBL782597)	Inhibition of ACTH-stimulated aldosterone production in rat adrenal tissue
50048857	1	ChEMBL_158165 (CHEMBL766128)	Inhibition of prostaglandin synthetase in rat renal medulla
50048857	2	ChEMBL_223479 (CHEMBL846248)	Inhibition of prostaglandin synthetase in sheep seminal vesicle
50048857	3	ChEMBL_223478 (CHEMBL846247)	Inhibition of prostaglandin synthetase in rat renal medulla
50048857	4	ChEMBL_223480 (CHEMBL846249)	Inhibition of prostaglandin synthetase in sheep seminal vesicle
50033535	4	ChEMBL_753596 (CHEMBL1799313)	Reversible inhibition of CYP3A4 assessed as conversion of testosterone to 6-beta-hydroxytestosterone
50041189	4	ChEMBL_177028 (CHEMBL781696)	In vitro inhibition of PGE-2 production was measured in rat blood
50033535	7	ChEMBL_753488 (CHEMBL1798196)	Inhibition of human Cav1.2
50033535	8	ChEMBL_753490 (CHEMBL1798198)	Inhibition of human Nav1.5
50033536	1	ChEMBL_753600 (CHEMBL1799317)	Inhibition of Escherichia coli nickel containing peptide deformylase
50041189	5	ChEMBL_98489 (CHEMBL879813)	Ex vivo inhibition of LTB4 production was measured in dog blood
50041189	3	ChEMBL_177029 (CHEMBL872009)	In vitro inhibition of PGE-2 (PG) production in rat blood; 3-30
50033538	1	ChEMBL_754112 (CHEMBL1798655)	Inhibition of PI3Kbeta
50033538	2	ChEMBL_754113 (CHEMBL1798656)	Inhibition of PI3Kdelta
50033538	3	ChEMBL_754114 (CHEMBL1798657)	Inhibition of PI3Kgamma
50033538	4	ChEMBL_754115 (CHEMBL1798658)	Inhibition of mTOR
50033538	6	ChEMBL_754108 (CHEMBL1798651)	Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay
50033539	1	ChEMBL_752994 (CHEMBL1798818)	Inhibition of p38alpha assessed as phosphorylation of fluorescently-labelled MK2 using Hsp27 peptide as substrate after 60 mins by fluorescence assay
50033540	1	ChEMBL_753198 (CHEMBL1799291)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method
50033541	1	ChEMBL_753217 (CHEMBL1799372)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase by high throughput screening method
50033541	2	ChEMBL_753306 (CHEMBL1799517)	Competitive inhibition of Mycobacterium tuberculosis pantothenate synthetase using ATP by Dixon plot analysis
50033541	3	ChEMBL_753307 (CHEMBL1799518)	Competitive inhibition of Mycobacterium tuberculosis pantothenate synthetase using beta-alanine by Dixon plot analysis
50033542	1	ChEMBL_753328 (CHEMBL1799589)	Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method
50033543	1	ChEMBL_753427 (CHEMBL1799857)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
50033543	2	ChEMBL_753428 (CHEMBL1799858)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as intracellular calcium levels
50033544	1	ChEMBL_753439 (CHEMBL1799869)	Inhibition of human recombinant COX2 by enzyme immuno assay
50033544	2	ChEMBL_753438 (CHEMBL1799868)	Inhibition of ovine COX1 by enzyme immuno assay
50033545	1	ChEMBL_753521 (CHEMBL1798229)	Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig forebrain homogenates
50041189	6	ChEMBL_177026 (CHEMBL781694)	In vitro inhibition of LTB4 production was measured in rat blood
50033545	2	ChEMBL_753523 (CHEMBL1798231)	Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig cerebellum homogenates
50033546	1	ChEMBL_753529 (CHEMBL1799052)	Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay
50033546	2	ChEMBL_753530 (CHEMBL1799053)	Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay
50033546	3	ChEMBL_753531 (CHEMBL1799054)	Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay
50033546	4	ChEMBL_753537 (CHEMBL1799060)	Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by linear fitting analysis
50033548	1	ChEMBL_754353 (CHEMBL1799219)	Inhibition of Klebsiella pneumoniae beta lactamase SHV-5
50033548	2	ChEMBL_754354 (CHEMBL1799220)	Inhibition of Pseudomonas aeruginosa beta lactamase AmpC
50033548	3	ChEMBL_754355 (CHEMBL1799221)	Inhibition of Enterobacter cloacae beta lactamase P99
50033548	4	ChEMBL_754356 (CHEMBL1799222)	Inhibition of Acinetobacter baumannii beta lactamase OXA-40
50035936	3	ChEMBL_29172 (CHEMBL637903)	Binding affinity towards adenosine A1 receptor
50033550	1	ChEMBL_754405 (CHEMBL1799368)	Inhibition of recombinant perforin mediated lysis of human Jurkat cells pre-incubated for 30 mins with perforin followed by incubation with Jurkat cells at 37 degC for 4 hrs in presence of 0.1% BSA by [51Cr] release assay
50033551	1	ChEMBL_754200 (CHEMBL1798844)	Inhibition of human recombinant PTB1B catalytic domain using pNPP substrate
50033551	2	ChEMBL_754198 (CHEMBL1798842)	Inhibition of human Cdc25B
50033551	3	ChEMBL_754199 (CHEMBL1798843)	Inhibition of TCPTP
50033551	4	ChEMBL_754197 (CHEMBL1798841)	Inhibition of human CDC25A
50033551	5	ChEMBL_754195 (CHEMBL1798839)	Inhibition of SHP1
50033551	6	ChEMBL_754196 (CHEMBL1798840)	Inhibition of SHP2
50033551	7	ChEMBL_754193 (CHEMBL1798837)	Inhibition of human LAR
50033551	8	ChEMBL_754190 (CHEMBL1798782)	Competitive inhibition of human recombinant PTB1B catalytic domain using pNPP substrate at 30 degC and pH 6.5 by Eadie-Hofstee plot
50033552	1	ChEMBL_754210 (CHEMBL1798854)	Inhibition of Mycobacterium tuberculosis recombinant MshC assessed as production of Cys-GlcN-Ins from cysteine by HPLC based fluorescence assay
50033553	1	ChEMBL_754219 (CHEMBL1798863)	Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visible spectrophotometer analysis
50033554	1	ChEMBL_754274 (CHEMBL1798961)	Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins
50033554	2	ChEMBL_754275 (CHEMBL1798962)	Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins
50033555	1	ChEMBL_754291 (CHEMBL1798978)	Inhibition of human recombinant MAO-B using p-tyramine substrate by fluorometric method
50033555	2	ChEMBL_754289 (CHEMBL1798976)	Inhibition of human recombinant MAO-A using p-tyramine substrate by fluorometric method
50033556	1	ChEMBL_754309 (CHEMBL1799085)	Inhibition of human glyoxalase 1
50033557	1	ChEMBL_754315 (CHEMBL1799091)	Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay
50033557	2	ChEMBL_754314 (CHEMBL1799090)	Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay
50033557	4	ChEMBL_754325 (CHEMBL1799101)	Inhibition of 5-LO
50033558	1	ChEMBL_754327 (CHEMBL1799103)	Inhibition of human recombinant PTP1B assessed as inhibition of para-nitrophenyl phosphate to para-nitrophenol conversion by spectrophotometry
50033559	1	ChEMBL_755117 (CHEMBL1805697)	Inhibition of PDE4A
50033559	2	ChEMBL_755118 (CHEMBL1805698)	Inhibition of PDE4B
50033559	3	ChEMBL_755119 (CHEMBL1805699)	Inhibition of PDE4D
50033559	4	ChEMBL_755122 (CHEMBL1805702)	Competitive inhibition of CYP2C9
50033559	5	ChEMBL_755220 (CHEMBL1806199)	Inhibition of human CYP2C9
50033559	6	ChEMBL_755222 (CHEMBL1806201)	Inhibition of human CYP2D6
50033559	7	ChEMBL_755223 (CHEMBL1806202)	Inhibition of human CYP1A2
50033560	1	ChEMBL_755296 (CHEMBL1804296)	Displacement of radioligand from human CB1 receptor expressed in CHO cells
50033560	2	ChEMBL_755297 (CHEMBL1804297)	Displacement of radioligand from human CB2 receptor expressed in CHO cells
50033561	1	ChEMBL_755403 (CHEMBL1804719)	Inhibition of human recombinant HDAC1 using fluor de Lys as substrate by fluorometric analysis
50033561	2	ChEMBL_755387 (CHEMBL1804703)	Inhibition of CYP3A4
50033561	3	ChEMBL_755386 (CHEMBL1804702)	Inhibition of CYP2D6
50033561	4	ChEMBL_755385 (CHEMBL1804701)	Inhibition of CYP2C19
50033561	5	ChEMBL_755407 (CHEMBL1804723)	Inhibition of human recombinant HDAC6 using fluor de Lys as substrate by fluorometric analysis
50033561	7	ChEMBL_755405 (CHEMBL1804721)	Inhibition of human recombinant HDAC3 using fluor de Lys as substrate by fluorometric analysis
50033561	8	ChEMBL_755404 (CHEMBL1804720)	Inhibition of human recombinant HDAC2 using fluor de Lys as substrate by fluorometric analysis
50033562	5	ChEMBL_754643 (CHEMBL1806346)	Inhibition of ERK8
50033562	6	ChEMBL_754586 (CHEMBL1806289)	Inhibition of IRR
50033562	7	ChEMBL_754583 (CHEMBL1806286)	Inhibition of DYRK1A
50033562	9	ChEMBL_754585 (CHEMBL1806288)	Inhibition of ERK2
50033562	10	ChEMBL_754584 (CHEMBL1806287)	Inhibition of ERK1
50033562	11	ChEMBL_754582 (CHEMBL1806285)	Inhibition of CK1
50033563	1	ChEMBL_754942 (CHEMBL1806064)	Inhibition of thymidylate synthase
50033563	2	ChEMBL_754944 (CHEMBL1805766)	Inhibition of nicotinamide phosphoribosyltransferase-catalyzed conversion of nicotinamide to nicotinamide mononucleotide
50033563	3	ChEMBL_754945 (CHEMBL1805767)	Inhibition of nicotinamide phosphoribosyltransferase-mediated decrease in cellular NAD level
50033564	1	ChEMBL_755236 (CHEMBL1806215)	Inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate after 15 mins by malachite green reagent method
50033564	2	ChEMBL_755237 (CHEMBL1806216)	Inhibition of human NPP1 expressed in COS7 cells assessed as enzyme-substrate-inhibitor dissociation constant using pnp-TMP as the substrate after 15 mins by malachite green reagent method
50033564	3	ChEMBL_755240 (CHEMBL1806219)	Agonist activity at GFP tagged-human P2Y1 receptor expressed in human 1321N1 cells assessed as elevation in calcium level after 30 mins by fluorescence spectrophotometric analysis
50033564	4	ChEMBL_755242 (CHEMBL1806221)	Agonist activity at GFP tagged-human P2Y11 receptor expressed in human 1321N1 cells assessed as elevation in calcium level after 30 mins by fluorescence spectrophotometric analysis
50033565	1	ChEMBL_755504 (CHEMBL1805065)	Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by calorimetric assay
50033565	2	ChEMBL_755506 (CHEMBL1805067)	Antagonist activity at Escherichia coli UT189 FimH in guinea pig red blood cells assessed as disaggregation of bacteria after 600 secs by aggregometry assay
50035937	10	ChEMBL_1904 (CHEMBL616500)	Compound was measured for affinity at 5-hydroxytryptamine 2 receptor in rat cortical by [3H]spiroperidol displacement.
50033567	1	ChEMBL_754437 (CHEMBL1806025)	Antagonist activity at human CXCR4 expressed in human U87 cells expressing CD4 assessed as inhibition of CXCL12-induced cAMP production pretreated for 15 mins before forskolin challenge by TR-FRET analysis
50033568	1	ChEMBL_754454 (CHEMBL1806079)	Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assay
50033568	2	ChEMBL_754456 (CHEMBL1806081)	Inhibition of Hsp90alpha in human H1299 cells assessed as HIF-1alpha degradation by luciferase reporter assay
50033568	3	ChEMBL_754513 (CHEMBL1806177)	Inhibition of Hsp90alpha in human SKBR3 cells assessed as up-regulation of HSP70 protein by Western blot analysis
50033568	4	ChEMBL_754512 (CHEMBL1806176)	Inhibition of Hsp90alpha in human SKBR3 cells assessed as ErbB2 degradation by Western blot analysis
50033568	5	ChEMBL_754453 (CHEMBL1806078)	Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assay
50033569	1	ChEMBL_754733 (CHEMBL1805588)	Competitive inhibition of histidine-tagged human recombinant IDO expressed in bacterial strain BL21 AI using L-Trptophan as substrate measured at 490 nm wavelength after 6 min by colorimetric assay
50033569	2	ChEMBL_754732 (CHEMBL1805587)	Uncompetitive inhibition of histidine-tagged human recombinant IDO expressed in bacterial strain BL21 AI using L-Trptophan as substrate measured at 490 nm wavelength after 6 min by colorimetric assay
50033570	1	ChEMBL_755831 (CHEMBL1803565)	Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay
50033570	2	ChEMBL_755832 (CHEMBL1803566)	Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide substrate after 30 mins by Glow-type luminescence assay in presence of 1 uM ATP
50033572	1	ChEMBL_756042 (CHEMBL1804152)	Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA
50033573	1	ChEMBL_756521 (CHEMBL1804594)	Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 mins by fluorometric analysis
50033574	1	ChEMBL_756832 (CHEMBL1803156)	Displacement of [3H]raclopride from rat D2 dopamine receptor expressed in CHOK1 cells after 90 mins by liquid scintillation counter scintillation counter
50033574	2	ChEMBL_756833 (CHEMBL1803157)	Agonist activity at rat D2 dopamine receptor expressed in CHOK1 cells assessed as [35S]GTPgammaS binding after 90 mins by liquid scintillation counter
50033574	3	ChEMBL_756891 (CHEMBL1803357)	Displacement of [3H]SCH23390 from human D1 dopamine receptor expressed in Ltk fibroblast cells after 60 mins by liquid scintillation counter
50033575	1	ChEMBL_757048 (CHEMBL1803889)	Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting
50033575	2	ChEMBL_757051 (CHEMBL1803892)	Binding affinity to human Angiotensin receptor 1
50033575	3	ChEMBL_757049 (CHEMBL1803890)	Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay
50033575	4	ChEMBL_757052 (CHEMBL1803893)	Binding affinity to human Angiotensin receptor 2
50033576	1	ChEMBL_755773 (CHEMBL1803440)	Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preincubated for 10 mins
50033576	2	ChEMBL_755850 (CHEMBL1803584)	Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and Mn2+ as cofactor preincubated for 10 mins
50033577	1	ChEMBL_755988 (CHEMBL1803964)	Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel plate reader
50033577	2	ChEMBL_755971 (CHEMBL1803861)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells
50033577	3	ChEMBL_755972 (CHEMBL1803862)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells
50033577	4	ChEMBL_755989 (CHEMBL1803965)	Agonist activity at human MT2 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel plate reader
50033578	1	ChEMBL_756077 (CHEMBL1804187)	Antagonist activity at His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as disruption of ROH-sRBP-TTR protein interaction after 2 hr by TR-FRET assay
50033579	1	ChEMBL_756357 (CHEMBL1805383)	Inhibition of SHH pathway in mouse Shh Light2 cells after 40 hrs by Gli-dependent luciferase reporter gene assay
50033579	2	ChEMBL_756358 (CHEMBL1805384)	Inhibition of N-terminal SHH activated pathway in mouse C3H10T1/2 cells assessed as SAG-induced cell differentiation by alkaline phosphatase assay
50033580	1	ChEMBL_756745 (CHEMBL1805291)	Binding affinity to eEF1A1 expressed in human MDA-MB-231 cells using 1 uM biotinylated compound immobilized on streptavidin sensor chip by surface plasmon resonance method
50033580	2	ChEMBL_756735 (CHEMBL1805281)	Binding affinity to eEF1A2 expressed in human MDA-MB-231 cells using 1 uM biotinylated compound immobilized on streptavidin sensor chip by surface plasmon resonance method
50033581	1	ChEMBL_756746 (CHEMBL1805292)	Inhibition of C-terminally His6-tagged microtubule-activated KSP motor domain ATPase activity after 15 mins by luciferase-derived luminescence assay
50033582	1	ChEMBL_756760 (CHEMBL1805306)	Transactivation of human PXR expressed in HepG2 cells after 18 hrs by luciferase reporter gene assay
50033583	1	ChEMBL_755709 (CHEMBL1803211)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells
50033583	2	ChEMBL_755710 (CHEMBL1803212)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50033583	3	ChEMBL_755712 (CHEMBL1803214)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells in presence of 100 mM sodium chloride
50033583	4	ChEMBL_755707 (CHEMBL1803209)	Displacement of [3H]SCH23390 from D1 receptor from porcine cerebral cortex homogenates
50033583	5	ChEMBL_755708 (CHEMBL1803210)	Displacement of [3H]SCH23390 from human D2long receptor expressed in CHO cells
50035941	6	ChEMBL_30709 (CHEMBL645452)	Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane
50035941	5	ChEMBL_27929 (CHEMBL875263)	Binding affinity for adenosine A2 receptor using [3H]NECA in rat striatal membrane
50035943	9	ChEMBL_153854 (CHEMBL756513)	Inhibitory concentration against Pepsin
50035943	10	ChEMBL_71510 (CHEMBL680906)	Inhibitory concentration against Gastricsin
50035943	11	ChEMBL_45157 (CHEMBL657351)	Inhibitory concentration against cathepsin D
50035946	2	ChEMBL_68555 (CHEMBL679479)	Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor
50041190	3	ChEMBL_27634 (CHEMBL639510)	Concentration required for coronary arteries vasodilation at the Adenosine A2 receptor in langendorff guinea pig heart preparation
50041190	4	ChEMBL_27633 (CHEMBL639509)	Concentration required for coronary arteries vasodilation at the A2 adenosine receptor in langendorff guinea pig heart preparation
50001011	5	ChEMBL_30570 (CHEMBL649882)	Binding affinity against adenosine A2 receptor in rat striatum by the displacement of [3H]N-ethyladenosine-5''-uronamide(NECA).
50001011	4	ChEMBL_30565 (CHEMBL649877)	Binding affinity against Adenosine A2 receptor in rat striatum by displacement of [3H]N-ethyladenosine-5''-uronamide(NECA)
50035951	2	ChEMBL_100183 (CHEMBL853639)	In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine
50000589	13	ChEMBL_58973 (CHEMBL668639)	The compound was tested for binding affinity against Dopamine receptor D1 using SCH-23390 as radioligand
50000589	16	ChEMBL_58968 (CHEMBL668634)	Binding affinity determined in radioreceptor binding assay by using [3H]SCH-23390 radioligand against dopamine receptor D1
50000589	17	ChEMBL_201907 (CHEMBL808198)	The compound was tested for binding affinity against sigma receptor using DTG as radioligand
50035957	8	ChEMBL_146263 (CHEMBL757487)	Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pig brain membrane
50035957	4	ChEMBL_146411 (CHEMBL756563)	Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pig brain membrane
50035957	7	ChEMBL_145369 (CHEMBL753137)	Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]EK as radioligand in guinea pig brain membrane
50035957	5	ChEMBL_146443 (CHEMBL756425)	Compound was evaluated for the binding affinity to opioid receptor delta using [3H]DADLE as radioligand in guinea pig brain membrane
50035957	9	ChEMBL_145229 (CHEMBL755680)	Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pig brain membrane
50035957	6	ChEMBL_146449 (CHEMBL754984)	Compound was evaluated for the binding affinity to opioid receptor delta using [3H]DADLE as radioligand in guinea pig brain membrane
50048858	1	ChEMBL_28353 (CHEMBL644997)	In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.
50035967	3	ChEMBL_195752 (CHEMBL801603)	In vitro inhibition of human renin by radio-immuno assay of angiotensin I (ANG I)
50048859	1	ChEMBL_53177 (CHEMBL664572)	Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine
50033585	1	ChEMBL_756194 (CHEMBL1804593)	Inhibition of CARM1-mediated methylation of PABP1 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
50033585	2	ChEMBL_756195 (CHEMBL1804745)	Inhibition of PRMT1-mediated methylation of NPL3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
50033585	3	ChEMBL_756196 (CHEMBL1804746)	Inhibition of SET7-mediated methylation of histone H3 after 90 mins by scintillation counting in presence of S-adenosyl-l-[methyl-3H]methionine
50033587	1	ChEMBL_756282 (CHEMBL1805095)	Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminescence assay
50033587	2	ChEMBL_756284 (CHEMBL1805097)	Binding affinity to rhoA by SPR assay
50033588	1	ChEMBL_756286 (CHEMBL1805099)	Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting
50033588	2	ChEMBL_756287 (CHEMBL1805100)	Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting
50033588	3	ChEMBL_756288 (CHEMBL1805101)	Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate
50033588	4	ChEMBL_756289 (CHEMBL1805102)	Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate
50033588	5	ChEMBL_756293 (CHEMBL1805106)	Inhibition of human recombinant Pim1
50033589	3	ChEMBL_756375 (CHEMBL1805401)	Agonist activity at human adrenergic beta3 receptor by radioligand binding assay
50033589	4	ChEMBL_756376 (CHEMBL1805402)	Displacement of radioligand from human adenosine A2A receptor
50033589	6	ChEMBL_756380 (CHEMBL1805406)	Antagonist activity at human bradykinin B1 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay
50033589	7	ChEMBL_756379 (CHEMBL1805405)	Agonist activity at GPR109a
50033590	1	ChEMBL_756466 (CHEMBL1804241)	Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrate and [gamma32]-ATP after 30 mins by scintillation counting
50033590	2	ChEMBL_756465 (CHEMBL1804240)	Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate
50033591	1	ChEMBL_756483 (CHEMBL1804405)	Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 cells co-expressing G-protein alpha16 assessed as stimulation of calcium mobilization after 2 mins by fluorometric analysis
50033592	1	ChEMBL_756564 (CHEMBL1804637)	Inhibition of human Nek2 in using [gamma-32P] ATP
50033592	2	ChEMBL_756568 (CHEMBL1804641)	Binding affinity to human Cdk2
50033592	3	ChEMBL_756573 (CHEMBL1804786)	Inhibition of human Plk1 using dephosphorylated alpha-casein as a substrate and [gamma-32P]ATP
50033592	4	ChEMBL_756575 (CHEMBL1804788)	Inhibition of hemagglutinin epitope-tagged human Nek2 transfected tetracycline-induced in human HEK293 cells pre-incubated for 45 mins by immunoprecipitation assay
50033593	1	ChEMBL_756679 (CHEMBL1805144)	Competitive inhibition of human recombinant PKR
50033593	2	ChEMBL_756675 (CHEMBL1805140)	Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay
50033595	1	ChEMBL_755804 (CHEMBL1803471)	Inhibition of human ERG expressed in CHO cells by Q-patch assay
50033595	2	ChEMBL_755921 (CHEMBL1803730)	Inhibition of CYP 3A4
50033595	3	ChEMBL_755920 (CHEMBL1803729)	Inhibition of CYP 2D6
50033595	4	ChEMBL_755919 (CHEMBL1803728)	Inhibition of CYP 2C9
50033595	5	ChEMBL_755918 (CHEMBL1803727)	Inhibition of CYP 2C19
50033595	6	ChEMBL_755917 (CHEMBL1803726)	Inhibition of CYP 1A2
50033596	1	ChEMBL_755938 (CHEMBL1803828)	Inhibition of human 15-PGDH expressed in Escherichia coli using PGE2 as substrate and NAD+ as coenzyme assessed as formation of NADH by spectrophotometric analysis
50033597	1	ChEMBL_756112 (CHEMBL1804368)	Inhibition of Akt using RPRTSSF peptide and [gamma32]ATP by cell-free radioactive assay
50033598	1	ChEMBL_756126 (CHEMBL1804382)	Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting in presence of 40% fetal bovine serum
50033598	2	ChEMBL_756129 (CHEMBL1804385)	Displacement of [125I]leuprorelin from rat GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum
50033598	3	ChEMBL_757154 (CHEMBL1803294)	Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting in presence of 40% human serum
50033598	4	ChEMBL_757169 (CHEMBL1803309)	Displacement of [125I]leuprorelin from rat GnRH receptor expressed in CHO cells after 60 mins by X-ray counter
50033598	5	ChEMBL_756124 (CHEMBL1804380)	Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter in presence of 40% fetal bovine serum
50033598	6	ChEMBL_756122 (CHEMBL1804378)	Antagonist activity at human GnRH receptor expressed in CHO cells assessed as inhibition of GnRH-induced arachidonic acid release using [5,6,8,9,11,12,14,15-3H]arachidonic acid preincubated for 15 mins measured after 45 mins by scintillation counting
50033598	7	ChEMBL_756120 (CHEMBL1804376)	Displacement of [125I]leuprorelin from recombinant human GnRH receptor expressed in CHO cells after 60 mins by X-ray counter
50033599	2	ChEMBL_757245 (CHEMBL1803544)	Inhibition of recombinant ICMT expressed in Sf9 cells using [3H]-AdoMet after 20 mins by scintillation counter
50033599	3	ChEMBL_757248 (CHEMBL1803547)	Uncompetitive inhibition of human recombinant C-terminal His6-tagged ICMT using 1 time Km of S-adenosylmethionine as substrate
50033599	4	ChEMBL_757249 (CHEMBL1803548)	Uncompetitive inhibition of human recombinant C-terminal His6-tagged ICMT using 10 times Km of S-adenosylmethionine as substrate
50033599	5	ChEMBL_757250 (CHEMBL1803626)	Inhibition of human recombinant C-terminal His6-tagged ICMT assessed as methylation of N-acetyl-S-geranylgeranylcysteine using SAM as methyl donor substrate after 1 hr by fluorometric assay
50033600	1	ChEMBL_757459 (CHEMBL1804279)	Inhibition of GST-tagged PHD2 assessed as inhibition of hydroxylation of fluorescein-labeled HIF1alpha CODD peptide after 1 hr by fluorescent polarization assay in presence of 2-oxoglutarate
50033601	1	ChEMBL_757505 (CHEMBL1804477)	Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay
50033601	2	ChEMBL_757506 (CHEMBL1804478)	Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay
50033601	3	ChEMBL_757507 (CHEMBL1804479)	Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay
50033601	4	ChEMBL_757508 (CHEMBL1804480)	Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay
50033602	1	ChEMBL_757515 (CHEMBL1804487)	Inhibition of SHP1
50033602	2	ChEMBL_757516 (CHEMBL1804488)	Inhibition of PTP1B
50033602	3	ChEMBL_757517 (CHEMBL1804489)	Inhibition of SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion after 5 mins by spectrophotometry
50033602	4	ChEMBL_757519 (CHEMBL1804491)	Competitive inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry
50033602	5	ChEMBL_757520 (CHEMBL1804492)	Reversible inhibition at SHP2 catalytic domain assessed as inhibition of pNPP to p-nitrophenol conversion by spectrophotometry
50033602	6	ChEMBL_757527 (CHEMBL1804499)	Inhibition of TC-PTP
50033602	7	ChEMBL_757528 (CHEMBL1804500)	Inhibition of CD45
50033602	8	ChEMBL_757554 (CHEMBL1804669)	Inhibition of LAR
50033602	9	ChEMBL_757555 (CHEMBL1804670)	Inhibition of VHX
50033602	10	ChEMBL_757556 (CHEMBL1804671)	Inhibition of LMW-PTP
50033603	1	ChEMBL_757561 (CHEMBL1804676)	Inhibition of ASIC3 assessed as inhibition of peak current by electrophysiology method
50033603	2	ChEMBL_757562 (CHEMBL1804677)	Inhibition of ASIC1a
50033604	1	ChEMBL_757135 (CHEMBL1803275)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition forskolin-induced cAMP release
50033604	2	ChEMBL_757136 (CHEMBL1803276)	Binding affinity at human CB1 receptor
50033604	3	ChEMBL_757144 (CHEMBL1803284)	Inhibition of human ERG
50033604	4	ChEMBL_757134 (CHEMBL1803274)	Agonist activity at human CB1 receptor by functional assay
50033605	1	ChEMBL_757147 (CHEMBL1803287)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting
50033605	2	ChEMBL_757148 (CHEMBL1803288)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting
50033605	3	ChEMBL_757149 (CHEMBL1803289)	Binding affinity to CB1 receptor
50033606	1	ChEMBL_757184 (CHEMBL1803408)	Antagonist activity human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated [3H]cAMP accumulation after 150 mins by scintillation counter
50033606	2	ChEMBL_757185 (CHEMBL1803409)	Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry
50033606	3	ChEMBL_757182 (CHEMBL1803406)	Antagonist activity human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimulated [3H]cAMP accumulation after 150 mins by scintillation counter
50033606	4	ChEMBL_757153 (CHEMBL1803293)	Binding affinity to human recombinant A3 adenosine receptor by radioligand binding assay
50033606	5	ChEMBL_757179 (CHEMBL1803403)	Binding affinity to human recombinant A3 adenosine receptor expressed in CHO cells
50033606	6	ChEMBL_757190 (CHEMBL1803414)	Inverse agonist activity at human recombinant A3 adenosine receptor expressed CHO cells by [35S]GTPgammaS binding assay
50033606	7	ChEMBL_757189 (CHEMBL1803413)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation spectrometry
50033606	8	ChEMBL_757187 (CHEMBL1803411)	Displacement of [3H]ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation spectrometry
50033607	1	ChEMBL_757191 (CHEMBL1803415)	Inhibition of Pseudomonas aeruginosa CL5701 AmpC by spectrophotometric assay
50033608	1	ChEMBL_757198 (CHEMBL1803422)	Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay
50033608	2	ChEMBL_757199 (CHEMBL1803423)	Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay
50033609	1	ChEMBL_757224 (CHEMBL1803523)	Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay
50033610	1	ChEMBL_757289 (CHEMBL1803665)	Inhibition of human ERG
50033611	2	ChEMBL_757436 (CHEMBL1804256)	Inhibition of CDK2 in presence of 100 uM ATP
50033612	1	ChEMBL_757478 (CHEMBL1804450)	Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production
50033613	1	ChEMBL_757486 (CHEMBL1804458)	Inhibition of human 11beta-HSD-1 expressed in HEK293 cells assessed as [3H]cortisol level by scintillation proximity assay
50033613	2	ChEMBL_757487 (CHEMBL1804459)	Inhibition of mouse 11beta-HSD-1
50033613	3	ChEMBL_757490 (CHEMBL1804462)	Transactivation of PXR
50033613	4	ChEMBL_757492 (CHEMBL1804464)	Inhibition of human 11beta-HSD-2
50033616	1	ChEMBL_757636 (CHEMBL1804893)	Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50048861	3	ChEMBL_139462 (CHEMBL752170)	Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)
50048861	4	ChEMBL_139463 (CHEMBL752171)	Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)
50033616	3	ChEMBL_757638 (CHEMBL1804895)	Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	4	ChEMBL_757639 (CHEMBL1804896)	Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	5	ChEMBL_757640 (CHEMBL1804897)	Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	6	ChEMBL_757641 (CHEMBL1805036)	Inhibition of recombinant HDAC9 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	7	ChEMBL_757633 (CHEMBL1804890)	Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	8	ChEMBL_757634 (CHEMBL1804891)	Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50033616	9	ChEMBL_757635 (CHEMBL1804892)	Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay
50048861	1	ChEBML_139463	Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]QNB radioligand (in vitro)
50048861	2	ChEBML_139462	Binding affinity to muscarinic acetylcholine receptor was determined in presence of [3H]OXO-M radioligand (in vitro)
50035966	5	ChEMBL_192887 (CHEMBL795926)	Inhibition of monkey plasma renin
50000596	6	ChEMBL_33723 (CHEMBL876749)	Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain
50000596	5	ChEMBL_2159 (CHEMBL617240)	Ability to inhibit binding of [3H]KET to 5-hydroxytryptamine 2 receptor in rat cortex
50035970	4	ChEMBL_226189 (CHEMBL846555)	Inhibition of recombinant v-Abl tyrosine kinase.
50033618	1	ChEMBL_755265 (CHEMBL1804119)	Inhibition of CYP1A2
50035970	5	ChEMBL_66717 (CHEMBL674640)	Inhibition of the epidermal growth factor receptor expressed in A431 cell line
50033620	2	ChEMBL_755354 (CHEMBL1804510)	Displacement of [3H]CGP-12177 from beta1-adrenergic receptor in Sprague-Dawley rat cortical membrane after 2 hrs
50033620	4	ChEMBL_755357 (CHEMBL1804513)	Agonist activity beta2-adrenergic receptor in rat ventricular myocytes assessed as cell contraction following electrical stimulation by optical edge tracking method using photodiode array
50033620	6	ChEMBL_755361 (CHEMBL1804517)	Displacement of [125I]-CYP from human beta1-adrenergic receptor expressed in COS-7 cells by gamma counting
50048862	1	ChEBML_28432	Inhibitory activity as antagonist of AII on guinea pig ileum
50048862	4	ChEMBL_28432 (CHEMBL643135)	Inhibitory activity as antagonist of AII on guinea pig ileum
50048862	3	ChEMBL_30091 (CHEMBL642870)	The compound was tested for its inhibitory activity as antagonist of AII on guinea pig ileum
50048862	2	ChEBML_36180	The compound was tested for its ability to displace [3H]Angiotensin II (300 ng/mL) from rabbit adrenal cortex
50035973	15	ChEMBL_34149 (CHEMBL644948)	The concentration required to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)
50033622	1	ChEMBL_755448 (CHEMBL1804917)	Inhibition of mTOR assessed as inhibition of gamma32ATP incorporation to histone H1 by phosphor imaging
50033622	2	ChEMBL_755446 (CHEMBL1804915)	Inhibition of mTOR
50033622	3	ChEMBL_755447 (CHEMBL1804916)	Inhibition of p100alpha
50033622	4	ChEMBL_755449 (CHEMBL1804918)	Inhibition of recombinant mTOR assessed as inhibition of S6K T389 phosphorylation by DELFIA assay
50033623	1	ChEMBL_755452 (CHEMBL1804921)	Inhibition of human hERG
50033623	2	ChEMBL_754894 (CHEMBL1805878)	Binding affinity at voltage-gated calcium channel subunit alpha2delta1
50033623	3	ChEMBL_754900 (CHEMBL1805884)	Binding affinity at voltage-gated calcium channel subunit alpha2delta2
50033624	1	ChEMBL_754903 (CHEMBL1805887)	Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis
50033624	2	ChEMBL_754901 (CHEMBL1805885)	Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis
50033625	1	ChEMBL_755002 (CHEMBL1805904)	Inhibition of JNK2
50033625	2	ChEMBL_754999 (CHEMBL1805901)	Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay
50033625	3	ChEMBL_755001 (CHEMBL1805903)	Inhibition of MK2 in human THP-1 cells assessed as inhibition of anisomycin stimulated ser78-hsp27 phosphorylation after 10 mins by FACS analysis
50035973	14	ChEMBL_2352 (CHEMBL617426)	Binding constant against 5-hydroxytryptamine 2 receptor (in vitro)
50035973	19	ChEMBL_34587 (CHEMBL645397)	Binding constant against Alpha-1 adrenergic receptor (in vitro)
50033626	2	ChEMBL_755089 (CHEMBL1805669)	Agonist activity at human MC4R expressed in CHO cells assessed as increase of alpha-MSH-stimulated cAMP release pretreated for 10 mins before alpha-MSH challenge measured after 40 mins
50035973	13	ChEMBL_2353 (CHEMBL617427)	Binding constant against 5-hydroxytryptamine 2 receptor (in vivo)
50035973	12	ChEMBL_62403 (CHEMBL675728)	Binding constant against dopamine receptor D2 (in vivo)
50035973	7	ChEMBL_62402 (CHEMBL675727)	Binding constant against dopamine receptor D2 (in vitro)
50035973	17	ChEMBL_34588 (CHEMBL645398)	Binding constant against Alpha-1 adrenergic receptor (in vivo)
50033626	3	ChEMBL_755106 (CHEMBL1805686)	Agonist activity at mouse MC4 receptor
50033626	4	ChEMBL_755107 (CHEMBL1805687)	Agonist activity at mouse MC3 receptor
50033627	1	ChEMBL_755375 (CHEMBL1804531)	Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR assay
50033627	2	ChEMBL_755468 (CHEMBL1804937)	Inhibition of thromboxane A2 receptor
50033627	3	ChEMBL_755472 (CHEMBL1804941)	Inhibition of CB1 receptor
50033628	1	ChEMBL_755485 (CHEMBL1805046)	Inhibition of CYP2D6
50033628	2	ChEMBL_755484 (CHEMBL1805045)	Inhibition of CYP2C19
50033628	3	ChEMBL_755483 (CHEMBL1805044)	Inhibition of CYP2C9
50033628	4	ChEMBL_755482 (CHEMBL1805043)	Inhibition of CYP1A2
50033628	5	ChEMBL_755481 (CHEMBL1805042)	Inhibition of CYP3A4 using diethoxyflourescein as a substrate
50033629	1	ChEMBL_755603 (CHEMBL1805343)	Inhibition of Akt1
50033629	2	ChEMBL_755602 (CHEMBL1805342)	Inhibition of Camk4
50033629	3	ChEMBL_755601 (CHEMBL1805341)	Inhibition of Cdk2
50033629	5	ChEMBL_755599 (CHEMBL1805339)	Inhibition of CSNK1d
50033629	6	ChEMBL_755598 (CHEMBL1805338)	Inhibition of EGFR
50033629	7	ChEMBL_755596 (CHEMBL1805336)	Inhibition of ERK2
50033629	8	ChEMBL_755617 (CHEMBL1805357)	Inhibition of IKKb
50033629	9	ChEMBL_755597 (CHEMBL1805337)	Inhibition of IRAK4
50033629	10	ChEMBL_755618 (CHEMBL1805358)	Inhibition of Jak2
50033629	11	ChEMBL_755619 (CHEMBL1805359)	Inhibition of LCK
50033629	12	ChEMBL_755620 (CHEMBL1805360)	Inhibition of cMet
50033629	13	ChEMBL_755621 (CHEMBL1805361)	Inhibition of MST2
50033629	15	ChEMBL_755623 (CHEMBL1805363)	Inhibition of PLK3
50033629	17	ChEMBL_755625 (CHEMBL1805365)	Inhibition of RSK2
50033629	18	ChEMBL_755626 (CHEMBL1805366)	Inhibition of TSSK2
50033629	19	ChEMBL_755627 (CHEMBL1805367)	Inhibition of VEGFR2
50033629	20	ChEMBL_755594 (CHEMBL1805334)	Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay
50035973	18	ChEMBL_34148 (CHEMBL644947)	The concentration required to inhibit 3[H]prazosin binding to Alpha-1 adrenergic receptor in rat brain membranes was measured (in vitro)
50048863	1	ChEMBL_36483 (CHEMBL651552)	Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor of rat adrenal cortical membrane
50033630	2	ChEMBL_754462 (CHEMBL1806087)	Inhibition of human MMP8 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	3	ChEMBL_754461 (CHEMBL1806086)	Inhibition of human MMP7 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	4	ChEMBL_754460 (CHEMBL1806085)	Inhibition of human MMP3 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	5	ChEMBL_754459 (CHEMBL1806084)	Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	6	ChEMBL_754458 (CHEMBL1806083)	Inhibition of human MMP1 expressed in human HT-1080 cells assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033630	8	ChEMBL_754464 (CHEMBL1806089)	Inhibition of human MMP13 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay
50033631	1	ChEMBL_754637 (CHEMBL1806340)	Inhibition of PTP1B expressed in Escherichia coli assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins
50033631	2	ChEMBL_754638 (CHEMBL1806341)	Inhibition of TC-PTP assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins
50033631	3	ChEMBL_754640 (CHEMBL1806343)	Inhibition of membrane proximal catalytic domain of LAR-D1 assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins
50033631	4	ChEMBL_754669 (CHEMBL1805524)	Inhibition of yeast PTP1 expressed in Escherichia coli assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins
50033631	5	ChEMBL_754671 (CHEMBL1805526)	Agonist activity at PPARgamma expressed in HepG2 cells co-expressing PPRE assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay
50033631	6	ChEMBL_754639 (CHEMBL1806342)	Inhibition of catalytic domain of SHP-1 expressed in Escherichia coli assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins
50033632	1	ChEMBL_755026 (CHEMBL1805928)	Inhibition of human CYP1A2
50033632	2	ChEMBL_755028 (CHEMBL1805930)	Inhibition of human CYP3A4
50033632	3	ChEMBL_755033 (CHEMBL1805935)	Inhibition of human CYP2C19
50033632	4	ChEMBL_755038 (CHEMBL1805940)	Inhibition of human CYP2C9
50033632	5	ChEMBL_754921 (CHEMBL1806043)	Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured after 18 hrs of ionomycin challenge using 2,3-diaminonaphthalene by fluorescence assay
50033632	6	ChEMBL_754922 (CHEMBL1806044)	Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187 induced nitric oxide production incubated for 24 hrs measured after 18 hrs of ionomycin challenge using 2,3-diaminonaphthalene by fluorescence assay
50033632	7	ChEMBL_755031 (CHEMBL1805933)	Inhibition of human CYP2D6
50033632	8	ChEMBL_755036 (CHEMBL1805938)	Inhibition of human ERG by patch clamp assay
50033632	9	ChEMBL_754917 (CHEMBL1806039)	Inhibition of human iNOS
50033632	10	ChEMBL_754920 (CHEMBL1806042)	Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by fluorescence assay
50033632	11	ChEMBL_754928 (CHEMBL1806050)	Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by fluorescence assay
50033633	1	ChEMBL_757944 (CHEMBL1809361)	Displacement of [125I]CCK from CCK1 receptor isolated from human tumor tissues
50033633	2	ChEMBL_757943 (CHEMBL1809360)	Agonist activity at gastrin receptor in rat AR4-2J cells assessed as intracellular calcium mobilization by fluorescence assay
50033633	3	ChEMBL_757942 (CHEMBL1809359)	Displacement of [125I]CCK from gastrin receptor isolated from human tumor tissues
50033634	1	ChEMBL_758563 (CHEMBL1811744)	Agonist activity at dopamine D2 receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 30 mins
50033634	2	ChEMBL_758564 (CHEMBL1811745)	Agonist activity at 5-HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 30 mins
50033634	3	ChEMBL_758566 (CHEMBL1811747)	Antagonist activity at adrenergic Alpha-1B receptor expressed in CHO cells assessed as inhibition of adrenaline-induced intracellular calcium after 3 to 5 mins by Fluo-4/AM assay
50033634	5	ChEMBL_758556 (CHEMBL1811737)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells after 50 mins by beta liquid scintillation counter
50033634	6	ChEMBL_758563 (CHEMBL1811744)	Agonist activity at dopamine D2 receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 30 mins
50033634	7	ChEMBL_758560 (CHEMBL1811741)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 50 mins by beta liquid scintillation counter
50033634	8	ChEMBL_758561 (CHEMBL1811742)	Displacement of [3H]ketanserin from 5-HT2A receptor expressed in CHO cells after 50 mins by beta liquid scintillation counter
50033634	9	ChEMBL_758567 (CHEMBL1811748)	Antagonist activity at adrenergic Alpha-1D receptor expressed in HEK293 cells co-transfected with Galpha16 assessed as inhibition of adrenaline-induced intracellular calcium after 3 to 5 mins by Fluo-4/AM assay
50033634	10	ChEMBL_758565 (CHEMBL1811746)	Antagonist activity at adrenergic alpha1A receptor expressed in CHO cells assessed as inhibition of adrenaline-induced intracellular calcium level after 3 to 5 mins by Fluo-4/AM assay
50033636	1	ChEMBL_759196 (CHEMBL1811342)	Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting
50033636	2	ChEMBL_759194 (CHEMBL1811340)	Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting
50033636	3	ChEMBL_759193 (CHEMBL1811339)	Antagonist activity at human CRF-1 receptor
50033636	4	ChEMBL_758166 (CHEMBL1809497)	Displacement of [125I]-sauvagine from rat CRF-1 receptor expressed in rat cortical membrane after 2 hrs by scintillation counting
50033636	5	ChEMBL_759200 (CHEMBL1811346)	Inhibition of human CRF-1 receptor expressed in human IMR-32 cells assessed as effect on cAMP production by ELISA in presence of 3 nM CRF
50033637	1	ChEMBL_758392 (CHEMBL1811144)	Inhibition of HsEg5
50033638	1	ChEMBL_758470 (CHEMBL1811449)	Binding affinity to 5HT7 receptor
50033639	1	ChEMBL_758771 (CHEMBL1810270)	Inhibition of recombinant human MAOA expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50033639	2	ChEMBL_758772 (CHEMBL1810271)	Inhibition of recombinant human MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50033639	3	ChEMBL_758777 (CHEMBL1810276)	Competitive inhibition of human recombinant MAOA expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as 4-hydroxyquinoline formation per min per mg protein by Lineweaver-Burk plot analysis
50033639	4	ChEMBL_758778 (CHEMBL1810277)	Competitive inhibition of human recombinant MAOB expressed in baculovirus infected insect cell microsomes using kynuramine as substrate assessed as 4-hydroxyquinoline formation per min per mg protein by Lineweaver-Burk plot analysis
50033640	1	ChEMBL_758786 (CHEMBL1810334)	Inhibition of rabbit lung ACE preincubated for 5 mins by spectrophotometric assay
50033641	1	ChEMBL_757805 (CHEMBL1809749)	Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillation counting
50033641	3	ChEMBL_757807 (CHEMBL1809751)	Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintillation counting
50033642	1	ChEMBL_757933 (CHEMBL1809350)	Inhibition of Feline herpesvirus thymidine kinase assessed as phosphorylation of 1 uM [methyl-3H]dThd after 30 mins by scintillation counting
50033642	2	ChEMBL_757931 (CHEMBL1809348)	Inhibition of Herpes simplex virus-1 thymidine kinase-mediated phosphorylation of [methyl-3H]dThd at 1 uM after 30 mins by scintillation counting
50033643	2	ChEMBL_758028 (CHEMBL1809445)	Inhibition of [3H]PDBu binding to PKCbeta-C1A domain peptide
50033643	3	ChEMBL_758029 (CHEMBL1809446)	Inhibition of [3H]PDBu binding to PKCgamma-C1A domain peptide
50033643	4	ChEMBL_758030 (CHEMBL1809447)	Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide
50033643	5	ChEMBL_758031 (CHEMBL1809448)	Inhibition of [3H]PDBu binding to PKCepsilon-C1B domain peptide
50033643	8	ChEMBL_758034 (CHEMBL1809451)	Binding affinity to PKCbeta-C1A domain peptide using [3H]-labeled compound
50033643	9	ChEMBL_758035 (CHEMBL1809452)	Binding affinity to PKCgamma-C1A domain peptide using [3H]-labeled compound
50033643	10	ChEMBL_758030 (CHEMBL1809447)	Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide
50033643	12	ChEMBL_758031 (CHEMBL1809448)	Inhibition of [3H]PDBu binding to PKCepsilon-C1B domain peptide
50033644	1	ChEMBL_758411 (CHEMBL1811277)	Inhibition of human cloned GST-fused p38alpha expressed in Escherichia coli using myelin basic protein as substrate after 45 mins
50033644	2	ChEMBL_758413 (CHEMBL1811279)	Inhibition of CYP2C9
50033644	3	ChEMBL_758414 (CHEMBL1811280)	Inhibition of CYP3A4
50033644	4	ChEMBL_758514 (CHEMBL1811592)	Inhibition of IKK2
50033644	5	ChEMBL_758492 (CHEMBL1811570)	Inhibition of p38delta
50033644	6	ChEMBL_758493 (CHEMBL1811571)	Inhibition of p38-gamma
50033644	7	ChEMBL_758494 (CHEMBL1811572)	Inhibition of Akt
50033644	8	ChEMBL_758495 (CHEMBL1811573)	Inhibition of CDK2
50033644	9	ChEMBL_758496 (CHEMBL1811574)	Inhibition of EMT
50033644	10	ChEMBL_758497 (CHEMBL1811575)	Inhibition of FGFR1
50033644	11	ChEMBL_758498 (CHEMBL1811576)	Inhibition of HER1
50033644	12	ChEMBL_758499 (CHEMBL1811577)	Inhibition of HER2
50033644	13	ChEMBL_758500 (CHEMBL1811578)	Inhibition of IGF1R
50033644	14	ChEMBL_758501 (CHEMBL1811579)	Inhibition of JAK3
50033644	15	ChEMBL_758502 (CHEMBL1811580)	Inhibition of JNK1
50033644	16	ChEMBL_758503 (CHEMBL1811581)	Inhibition of LCK
50033644	17	ChEMBL_758505 (CHEMBL1811583)	Inhibition of MET
50033644	18	ChEMBL_758506 (CHEMBL1811584)	Inhibition of MK2
50033644	20	ChEMBL_758509 (CHEMBL1811587)	Inhibition of PKCdelta
50033644	21	ChEMBL_758510 (CHEMBL1811588)	Inhibition of PKCtheta
50033644	22	ChEMBL_758511 (CHEMBL1811589)	Inhibition of PKCzeta
50033644	23	ChEMBL_758512 (CHEMBL1811590)	Inhibition of SYK
50033644	24	ChEMBL_758513 (CHEMBL1811591)	Inhibition of VEGFR2
50033644	25	ChEMBL_758423 (CHEMBL1811289)	Inhibition of p38beta
50033645	1	ChEMBL_758526 (CHEMBL1811604)	Inhibition of his-tagged IKK-beta after 2 hrs
50035976	2	ChEMBL_30534 (CHEMBL643181)	Concentration required for 50% inhibition of [3H]NECA binding on rat brain adenosine A2 receptor
50035976	3	ChEMBL_28539 (CHEMBL636729)	Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor
50048864	1	ChEMBL_39798 (CHEMBL876771)	Ability to inhibit Tubulin polymerization in Bovine brain
50000553	5	ChEMBL_146256 (CHEMBL753447)	Affinity for opioid receptor mu sites
50000553	6	ChEMBL_145222 (CHEMBL755519)	Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig
50000554	12	ChEMBL_2336 (CHEMBL617543)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]DOB as
50000554	11	ChEMBL_34447 (CHEMBL651979)	Binding affinity towards alpha-1 adrenergic receptor of rat frontal cortex using [3H]- WB- 4101 as a radioligand
50033646	3	ChEMBL_758705 (CHEMBL1810157)	Inhibition of recombinant MET using biotinylated-poly(GT) peptide as substrate after 60 mins
50033647	1	ChEMBL_758706 (CHEMBL1810158)	Inhibition of renin measured every 30 secs for 15 mins by fluorimetric analysis
50033648	1	ChEMBL_758710 (CHEMBL1810162)	Inhibition of recombinant GST-tagged VEGFR1 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay
50033648	2	ChEMBL_758709 (CHEMBL1810161)	Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay
50033648	3	ChEMBL_758708 (CHEMBL1810160)	Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay
50033648	4	ChEMBL_758713 (CHEMBL1810165)	Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay
50033649	1	ChEMBL_759042 (CHEMBL1810895)	Inhibition of human ERG
50033649	2	ChEMBL_758910 (CHEMBL1810576)	Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay
50033650	1	ChEMBL_759047 (CHEMBL1810900)	Inhibition of human DNA Ligase I by FRET-based assay
50033651	1	ChEMBL_759145 (CHEMBL1811202)	Inhibition of human recombinant MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate
50033652	1	ChEMBL_759151 (CHEMBL1811208)	Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay
50033652	2	ChEMBL_759152 (CHEMBL1811209)	Inhibition of Escherichia coli peptide deformylase after 1 hr by fluorescence polarization based competition assay
50033652	3	ChEMBL_759155 (CHEMBL1811212)	Inhibition of Escherichia coli peptide deformylase using fMAHA as substrate after 1 hr by FLUO assay
50033653	1	ChEMBL_757720 (CHEMBL1809664)	Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting
50033653	2	ChEMBL_757717 (CHEMBL1809661)	Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting
50033653	3	ChEMBL_757718 (CHEMBL1809662)	Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting
50033653	4	ChEMBL_757719 (CHEMBL1809663)	Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting
50033654	1	ChEMBL_757844 (CHEMBL1809788)	Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins
50033654	2	ChEMBL_757845 (CHEMBL1809789)	Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins
50033654	3	ChEMBL_757846 (CHEMBL1809790)	Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins
50033654	4	ChEMBL_757847 (CHEMBL1809791)	Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins
50033655	1	ChEMBL_759558 (CHEMBL1811084)	Binding affinity to 5HT6 receptor
50033655	2	ChEMBL_759486 (CHEMBL1810927)	Inhibition of CYP2D6
50033655	3	ChEMBL_759487 (CHEMBL1810928)	Inhibition of CYP3A4
50033656	1	ChEMBL_759559 (CHEMBL1811085)	Inhibition of RET kinase
50000554	13	ChEMBL_218242 (CHEMBL823895)	Binding affinity towards beta adrenergic receptor using [3H]DHA as radioligand
50033658	1	ChEMBL_759674 (CHEMBL1811418)	Inhibition of human chymase after 1 hr by fluorometric assay
50033658	2	ChEMBL_759675 (CHEMBL1811508)	Inhibition of human cathepsin G after 1 hr by fluorometric assay
50033659	1	ChEMBL_759677 (CHEMBL1811510)	Inhibition of TPA-induced AP-1 activity expressed in human HEK293T cells treated 1 hr before TPA challenge measured after 18 hrs by FRET based beta-lactamase reporter assay
50033660	1	ChEMBL_759683 (CHEMBL1811516)	Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay
50033660	2	ChEMBL_759684 (CHEMBL1811517)	Inhibition of human recombinant cathepsin K using z-LR-AFC as substrate by fluorescence assay
50033660	3	ChEMBL_759685 (CHEMBL1811518)	Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay
50033660	4	ChEMBL_759688 (CHEMBL1811521)	Inhibition of cathepsin S in human Raji cells assessed as decrease in cell surface expression of MHC class 2/CLIP by flow cytometric analysis
50033661	1	ChEMBL_759692 (CHEMBL1811525)	Inhibition of ErbB4
50033661	2	ChEMBL_759694 (CHEMBL1811527)	Inhibition of Btk
50033661	3	ChEMBL_759693 (CHEMBL1811526)	Inhibition of ALK5
50033661	4	ChEMBL_759695 (CHEMBL1811528)	Inhibition of ACTR-2B
50033661	5	ChEMBL_759691 (CHEMBL1811524)	Inhibition of Lck
50033661	6	ChEMBL_759689 (CHEMBL1811522)	Inhibition of Lyn
50033661	7	ChEMBL_759690 (CHEMBL1811523)	Inhibition of Src1
50033662	1	ChEMBL_759734 (CHEMBL1811683)	Inhibition of HDAC8 using fluorogenic Boc-Lys (acetyl)-AMC as substrate after 30 mins by fluorescence assay
50033663	1	ChEMBL_759739 (CHEMBL1811688)	Displacement of [3H]DAMGO from human mu opioid receptor
50033664	1	ChEMBL_759750 (CHEMBL1811699)	Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintillation counting in presence of 25 % human plasma
50033664	2	ChEMBL_759749 (CHEMBL1811698)	Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 2 hrs by scintillation counting in presence of 25 % human plasma
50033665	1	ChEMBL_759897 (CHEMBL1810043)	Displacement of [125I]-PA cyclopamine from smoothened expressed in african green monkey COS-1 cells after 10 mins by autoradiography
50033665	2	ChEMBL_759896 (CHEMBL1810042)	Antagonist activity at smoothened expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh pathway
50033666	1	ChEMBL_759947 (CHEMBL1810141)	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hrs by beta counting
50033666	2	ChEMBL_759948 (CHEMBL1810142)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hrs by beta counting
50033666	3	ChEMBL_759949 (CHEMBL1810143)	Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as effect on [35S]-GTPgammaS binding after 1 hrs by beta counting
50033667	1	ChEMBL_760083 (CHEMBL1810406)	Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scintillation counting
50033668	1	ChEMBL_760105 (CHEMBL1810428)	Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader analysis
50033668	2	ChEMBL_760106 (CHEMBL1810429)	Inhibition of thrombin
50033668	3	ChEMBL_760107 (CHEMBL1810430)	Inhibition of factor 10a
50033668	4	ChEMBL_760108 (CHEMBL1810431)	Inhibition of plasmin
50033668	5	ChEMBL_760109 (CHEMBL1810432)	Inhibition of plasma kallikrein
50033668	6	ChEMBL_760110 (CHEMBL1810433)	Inhibition of matriptase
50033668	7	ChEMBL_760111 (CHEMBL1810434)	Inhibition of matriptase 2
50033668	8	ChEMBL_760112 (CHEMBL1810435)	Inhibition of recombinant catalytic domain of TMPRSS2 expressed in Escherichia coli using Dcyclohexylalanine- Pro-Arg-AMC as substrate by fluorescence plate reader analysis
50033669	1	ChEMBL_760118 (CHEMBL1810495)	Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis
50033669	2	ChEMBL_760119 (CHEMBL1810496)	Inhibition of rat kidney Dipeptidyl peptidase-2 using H-Lys-Ala-pNA.2HCl as substrate after 60 mins by microplate reader analysis
50033669	3	ChEMBL_760120 (CHEMBL1810497)	Inhibition of FLAG-tagged human Dipeptidyl peptidase-8 expressed in 293-F cells using Gly-Pro-pNA.Tos as substrate after 90 mins by microplate reader analysis
50033669	4	ChEMBL_760121 (CHEMBL1810498)	Inhibition of FLAG-tagged human Dipeptidyl peptidase-9 expressed in 293-F cells using Gly-Pro-pNA.Tos as substrate after 90 mins by microplate reader analysis
50033670	1	ChEMBL_759351 (CHEMBL1809814)	Inhibition of human plasma thrombin benzoyl-Phe-Val-Arg-7-amino-4-methylcoumarin as substrate by spectrophotometric analysis
50033670	2	ChEMBL_759352 (CHEMBL1809815)	Inhibition of human urine urokinase using benzyloxycarbonyl-Gly-Gly-Arg-7-amino-4-methylcoumarin as substrate by spectrophotometric analysis
50033670	3	ChEMBL_759348 (CHEMBL1809811)	Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methyl-coumarin as substrate measured every 30 secs for 10 mins by fluorescence microplate reader
50033671	1	ChEMBL_759360 (CHEMBL1809823)	Agonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co-expressing GAL4 after 18 hrs by dual-luciferase activity based transactivation assay
50033671	2	ChEMBL_759362 (CHEMBL1809825)	Antagonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co-expressing GAL4 assessed as inhibition of GW7647-induced transactivation activity after 18 hrs by dual-luciferase assay
50033672	1	ChEMBL_759415 (CHEMBL1810741)	Inhibition of TPL2 using GST-MEK as substrate by LANCE assay
50033673	1	ChEMBL_759500 (CHEMBL1810941)	Inhibition of purified recombinant HDAC1
50033673	2	ChEMBL_759502 (CHEMBL1810943)	Binding affinity to human ERG by radioligand binding assay
50033673	3	ChEMBL_759504 (CHEMBL1810945)	Inhibition of human ERG by automated patch clamp assay
50033673	4	ChEMBL_759505 (CHEMBL1810946)	Inhibition of CYP3A4
50033674	1	ChEMBL_759514 (CHEMBL1810955)	Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation
50033675	1	ChEMBL_759516 (CHEMBL1810957)	Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by fluorescence assay
50033675	2	ChEMBL_759517 (CHEMBL1810958)	Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate by fluorescence assay
50033675	3	ChEMBL_759518 (CHEMBL1810959)	Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate by fluorescence assay
50033676	1	ChEMBL_759657 (CHEMBL1811401)	Inhibition of chicken FAS by spectrophotometric analysis
50033677	1	ChEMBL_759809 (CHEMBL1809870)	Antiglycation activity in bovine serum albumin assessed as inhibition of fructosamines formation in presence of glucose
50003767	2	ChEMBL_2306706	Binding affinity to Influenza A virus recombinant 6 his tagged N-terminal domain of PA endonuclease assessed as dissociation constant by surface plasma resonance analysis
50003767	3	ChEMBL_2306707	Inhibition of influenza A virus H1N1/A/WSN N-terminal domain of PA endonuclease mutant transfected in HEK293T cells assessed as reduction of luciferase reporter-generated polymerase complex activity measured after 24 hrs post infection by mini-replicon assay
50003767	4	ChEMBL_2306708	Inhibition of influenza A virus H1N1/A/WSN wild type N-terminal domain of PA endonuclease transfected in HEK293T cells assessed as reduction of luciferase reporter-generated polymerase complex activity measured after 24 hrs post infection by mini-replicon assay
50019160	1	ChEMBL_2306754	Inhibition of MCT4 in human SK-BR-3 cells assessed as inhibition of lactate efflux incubated for 4 hrs by automated microplate reader analysis
50033679	1	ChEMBL_759909 (CHEMBL1810055)	Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins
50033679	2	ChEMBL_759908 (CHEMBL1810054)	Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization after 1 hr by FLIPR assay
50033680	1	ChEMBL_759925 (CHEMBL1810119)	Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-Thr-Lys-Arg-AMC as the substrate after 30 mins
50033681	1	ChEMBL_759927 (CHEMBL1810121)	Inhibition of thrombin using S-2238 as substrate after 15 mins by spectrophotometric analysis
50033682	1	ChEMBL_759993 (CHEMBL1810228)	Inhibition of human PI3Kalpha expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay
50033682	2	ChEMBL_760020 (CHEMBL1810296)	Inhibition of human PI3Kgamma expressed in SF9 insect cells after 2 hrs by fluorescence polarization assay
50033682	3	ChEMBL_760021 (CHEMBL1810297)	Inhibition of mTOR
50033683	1	ChEMBL_760043 (CHEMBL1810319)	Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay
50033683	2	ChEMBL_760044 (CHEMBL1810320)	Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay
50033683	3	ChEMBL_760045 (CHEMBL1810321)	Antagonist activity at mouse CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay
50033683	4	ChEMBL_760046 (CHEMBL1810322)	Antagonist activity at CXCR3 in rat leukocytes assessed as inhibition of ITAC-induced cell migration by flow cytometry
50033683	5	ChEMBL_760041 (CHEMBL1810317)	Ex vivo receptor occupancy of CXCR3 in rat blood assessed as inhibition of ITAC binding after 1 hr by flow cytometry
50033683	6	ChEMBL_760042 (CHEMBL1810318)	Ex vivo receptor occupancy of CXCR3 in human blood assessed as inhibition of ITAC binding after 1 hr by flow cytometry
50033683	7	ChEMBL_760040 (CHEMBL1810316)	Inhibition of human ERG by automated patch clamp assay
50033684	1	ChEMBL_760063 (CHEMBL1810386)	Inhibition of auto-phosphorylation of IGFR1
50033684	3	ChEMBL_760065 (CHEMBL1810388)	Inhibition of human ERG by electrophysiology assay
50033685	1	ChEMBL_759463 (CHEMBL1810789)	Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysis
50033686	1	ChEMBL_759531 (CHEMBL1811057)	Inhibition of IGF1-induced autophosphorylation of human recombinant IGF1R expressed in mouse fibroblasts by high throughput assay
50033686	2	ChEMBL_759530 (CHEMBL1811056)	Inhibition of CDK2
50048865	1	ChEMBL_36467 (CHEMBL653120)	Ability to displace [125I]-labeled angiotensin II from its receptor of a rat uterus membrane
50000547	2	ChEMBL_145729 (CHEMBL755016)	Displacement of 0.5 nM [3H]bremazocine from opioid receptor sites in guinea pig membranes
50033686	5	ChEMBL_759537 (CHEMBL1811063)	Inhibition of human ERG by electrophysiological assay
50048866	1	ChEMBL_139063 (CHEMBL743857)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 16000-36000
50048866	2	ChEMBL_139044 (CHEMBL746371)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 25-31
50048866	3	ChEMBL_139059 (CHEMBL746386)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1300-2300
50048866	4	ChEMBL_138924 (CHEMBL746573)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 100-150
50048866	5	ChEMBL_139175 (CHEMBL747380)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 60000-65000
50048866	6	ChEMBL_138925 (CHEMBL746574)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 1000-1900
50048866	7	ChEMBL_138921 (CHEMBL873443)	The compound was tested in vitro for central Muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 12-18
50048866	8	ChEMBL_139055 (CHEMBL746382)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 93-280
50048866	9	ChEMBL_139049 (CHEMBL746376)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 6-29
50048866	10	ChEMBL_139177 (CHEMBL747382)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 8000-11000
50048866	11	ChEMBL_139179 (CHEMBL747384)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 930-1100
50048866	12	ChEMBL_139056 (CHEMBL746383)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 950-1000
50048866	13	ChEMBL_139176 (CHEMBL747381)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 6200-6700
50033687	1	ChEMBL_759617 (CHEMBL1811256)	Binding affinity to human polo-box domain of PLK1 after 1 hr by fluorescence polarization-based assay
50048866	14	ChEMBL_139180 (CHEMBL747385)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 78-200
50048866	15	ChEMBL_139173 (CHEMBL747378)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 44000-60000
50048866	16	ChEMBL_139046 (CHEMBL746373)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 36-85
50048866	17	ChEMBL_139171 (CHEMBL749900)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 29000-33000
50048866	18	ChEMBL_139058 (CHEMBL746385)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 12000-50000
50048866	19	ChEMBL_139050 (CHEMBL746377)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 650-1900
50048866	20	ChEMBL_139174 (CHEMBL747379)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 48000-100000
50048866	21	ChEMBL_139169 (CHEMBL749898)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 2300-2600
50048866	22	ChEMBL_139047 (CHEMBL746374)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 41-48
50048866	23	ChEMBL_139057 (CHEMBL746384)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 11000-14000
50048866	24	ChEMBL_138920 (CHEMBL746570)	The compound was tested for muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 250-280
50048866	25	ChEMBL_139172 (CHEMBL749901)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 3900-5800
50048866	26	ChEMBL_138923 (CHEMBL746572)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 1.6-3.9
50048866	27	ChEMBL_139045 (CHEMBL746372)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 34-52
50048866	28	ChEMBL_139064 (CHEMBL743858)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1700-2000
50048866	29	ChEMBL_139043 (CHEMBL746370)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 200-340
50048866	30	ChEMBL_139178 (CHEMBL747383)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 8000-17000
50048866	31	ChEMBL_139053 (CHEMBL746380)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 75-80
50048866	32	ChEMBL_139060 (CHEMBL746387)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 14000-38000
50048866	33	ChEMBL_139170 (CHEMBL749899)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 23000-38000
50048866	34	ChEMBL_139181 (CHEMBL747386)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 2800-6300
50048866	35	ChEMBL_139065 (CHEMBL745660)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1800-3000
50048866	36	ChEMBL_139061 (CHEMBL746388)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 15000-25000
50048866	37	ChEMBL_139052 (CHEMBL746379)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 73-120
50048866	38	ChEMBL_139054 (CHEMBL746381)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 93-190
50048866	39	ChEMBL_139062 (CHEMBL743856)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 15000-45000
50048866	40	ChEMBL_139048 (CHEMBL746375)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 440-600
50048866	41	ChEMBL_138922 (CHEMBL746571)	The compound was tested in vitro for central Muscarinic acetylcholine receptor affinity to displace [3H]quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 1700-3100
50048866	42	ChEMBL_139041 (CHEMBL746368)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 14-27
50048866	43	ChEMBL_139042 (CHEMBL746369)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 190-280
50048866	44	ChEMBL_139051 (CHEMBL746378)	The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]oxotremorine-M from rat cerebral cortex; Value ranges from 7-20
50035980	3	ChEMBL_58188 (CHEMBL669843)	Compound was tested in vitro for binding affinity against dopamine receptor D1 in rat striatal membrane by using DA antagonist [3H]NPA
50000559	3	ChEMBL_31139 (CHEMBL644806)	Binding affinity towards adenosine receptor
50035982	5	ChEMBL_30726 (CHEMBL648805)	Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand
50035982	4	ChEMBL_153751 (CHEMBL761206)	Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand
50035982	6	ChEMBL_30854 (CHEMBL643571)	Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand
50033689	1	ChEMBL_760859 (CHEMBL1815844)	Inhibition of CYP2D6
50033689	2	ChEMBL_760135 (CHEMBL1815391)	Inhibition of CYP3A4
50033689	3	ChEMBL_760134 (CHEMBL1815390)	Inhibition of histamine H1 receptor
50033689	4	ChEMBL_760150 (CHEMBL1815406)	Inhibition of H2 receptor
50033691	1	ChEMBL_760322 (CHEMBL1815137)	Transactivation of human PPARgamma expressed in human HepG2 cells co-transfected with PPRE3-TK-Luc by luciferase reporter gene assay
50033691	2	ChEMBL_760320 (CHEMBL1815135)	Transactivation of human PPARalpha expressed in human HepG2 cells co-transfected with PPRE3-TK-Luc by luciferase reporter gene assay
50033692	1	ChEMBL_760491 (CHEMBL1815476)	Inhibition of mushroom tyrosinase using L-DOPA after 10 mins by ELISA reader
50033693	1	ChEMBL_760496 (CHEMBL1815481)	Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay
50033694	1	ChEMBL_760506 (CHEMBL1815491)	Agonist activity at PPARgamma expressed in HEK293 after 8 hrs by luciferase reporter gene assay
50033694	2	ChEMBL_760504 (CHEMBL1815489)	Agonist activity at PPARdelta expressed in HEK293 after 8 hrs by luciferase reporter gene assay
50033694	3	ChEMBL_760502 (CHEMBL1815487)	Agonist activity at human PPARalpha expressed in HEK293 after 8 hrs by luciferase reporter gene assay
50033695	1	ChEMBL_760546 (CHEMBL1815531)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method
50033695	2	ChEMBL_760550 (CHEMBL1815535)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method
50033695	3	ChEMBL_760551 (CHEMBL1815536)	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration method
50033695	4	ChEMBL_760552 (CHEMBL1815537)	Inhibition of human recombinant carbonic anhydrase 5a preincubated for 15 mins by CO2 hydration method
50033695	5	ChEMBL_760553 (CHEMBL1815538)	Inhibition of human recombinant carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration method
50033695	6	ChEMBL_760554 (CHEMBL1815539)	Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration method
50033695	7	ChEMBL_760555 (CHEMBL1815540)	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration method
50033695	8	ChEMBL_760556 (CHEMBL1815541)	Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration method
50033695	9	ChEMBL_760547 (CHEMBL1815532)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method
50033695	10	ChEMBL_760548 (CHEMBL1815533)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method
50033695	11	ChEMBL_760549 (CHEMBL1815534)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method
50033697	1	ChEMBL_760694 (CHEMBL1815679)	Displacement of [3H](+)-pentazocine from guinea pig brain sigma-1 receptor after 90 mins by liquid scintillation counter
50033697	2	ChEMBL_760689 (CHEMBL1815674)	Displacement of [125I]ABN from human recombinant D2L receptor expressed in HEK cells after 60 mins by gamma counter
50033697	3	ChEMBL_760690 (CHEMBL1815675)	Displacement of [125I]ABN from human recombinant D3 receptor expressed in HEK cells after 60 mins by gamma counter
50033697	4	ChEMBL_760691 (CHEMBL1815676)	Displacement of [125I]ABN from human recombinant D4 receptor expressed in HEK cells after 60 mins by gamma counter
50033698	1	ChEMBL_760756 (CHEMBL1815741)	Inhibition of MAPKAPK2 by microfluidic mobility shift assay
50033698	2	ChEMBL_760757 (CHEMBL1815742)	Inhibition of AurA by microfluidic mobility shift assay
50033698	3	ChEMBL_760758 (CHEMBL1815743)	Inhibition of CK1delta by microfluidic mobility shift assay
50033698	5	ChEMBL_760760 (CHEMBL1815745)	Inhibition of ABL by microfluidic mobility shift assay
50033698	6	ChEMBL_760761 (CHEMBL1815746)	Inhibition of FYN by microfluidic mobility shift assay
50033698	7	ChEMBL_760762 (CHEMBL1815747)	Inhibition of LYN by microfluidic mobility shift assay
50033698	8	ChEMBL_760763 (CHEMBL1815748)	Inhibition of CHK2 by microfluidic mobility shift assay
50033698	9	ChEMBL_760764 (CHEMBL1815749)	Inhibition of LCK by microfluidic mobility shift assay
50033698	10	ChEMBL_760765 (CHEMBL1815750)	Inhibition of SRC by microfluidic mobility shift assay
50033698	11	ChEMBL_760767 (CHEMBL1815752)	Inhibition of p38alpha by microfluidic mobility shift assay
50033699	1	ChEMBL_761580 (CHEMBL1815898)	Inhibition of human non-pancreatic sPLA2 using 1,2-dimyristoyl-sn-glycero-3-phosphocholine substrate after 5 mins by continuous fluorescence assay
50033700	1	ChEMBL_762060 (CHEMBL1816052)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50033700	3	ChEMBL_762062 (CHEMBL1816054)	Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50033701	2	ChEMBL_762069 (CHEMBL1816061)	Inhibition of human whole blood COX-2 assessed as production of PGE2 after 24 hrs by EIA
50000778	3	ChEMBL_30537 (CHEMBL643184)	Inhibitory concentration against R[3H]-N6-PIA binding to adenosine A2 receptors in rat striatal membrane
50033702	1	ChEMBL_762161 (CHEMBL1816232)	Inhibition of AChE by Ellman's method
50033702	2	ChEMBL_762162 (CHEMBL1816233)	Inhibition of BChE by Ellman's method
50033703	1	ChEMBL_762179 (CHEMBL1816250)	Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins
50033704	1	ChEMBL_762275 (CHEMBL1816346)	Inhibition of RAF
50033704	2	ChEMBL_762274 (CHEMBL1816345)	Inhibition of VEGFR2
50033705	1	ChEMBL_761136 (CHEMBL1815165)	Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis
50033706	1	ChEMBL_761423 (CHEMBL1817053)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane by radioligand binding assay
50033706	2	ChEMBL_761424 (CHEMBL1817054)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells by radioligand binding assay
50033707	1	ChEMBL_761713 (CHEMBL1816807)	Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry
50033708	1	ChEMBL_761799 (CHEMBL1817066)	Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells
50033708	2	ChEMBL_761798 (CHEMBL1817065)	Displacement of [3H]SYM2081 from rat GluK2 expressed in Sf9 cells
50033708	3	ChEMBL_761797 (CHEMBL1817064)	Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells
50033708	4	ChEMBL_761796 (CHEMBL1817063)	Displacement of [3H]AMPA from rat GluA2 expressed in Sf9 cells
50000560	5	ChEMBL_216514 (CHEMBL819324)	Inhibition of hydrolysis of c-AMP phosphodiesterase in human platelets
50033709	5	ChEMBL_762093 (CHEMBL1816132)	Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay
50033709	6	ChEMBL_760888 (CHEMBL1815873)	Inhibition of rat P2X7 by fluorescent-based live-cell assay
50033709	7	ChEMBL_760887 (CHEMBL1815872)	Inhibition of human TRPM8 by fluorescent-based live-cell assay
50033709	8	ChEMBL_762208 (CHEMBL1816279)	Inhibition of human TRPV4 by fluorescent-based live-cell assay
50033709	9	ChEMBL_762207 (CHEMBL1816278)	Inhibition of human TRPV3 by fluorescent-based live-cell assay
50033709	11	ChEMBL_762205 (CHEMBL1816276)	Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.4 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	12	ChEMBL_762202 (CHEMBL1816273)	Inhibition of Kv1.5
50033709	15	ChEMBL_762199 (CHEMBL1816270)	Inhibition of fully inactivated TTX-resistant human sodium channel Nav1.3 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	17	ChEMBL_762195 (CHEMBL1816266)	Inhibition of 20% inactivated TTX-resistant rat sodium channel Nav1.8 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	18	ChEMBL_762194 (CHEMBL1816265)	Inhibition of 20% inactivated TTX-resistant human sodium channel Nav1.5 expressed in human HEK293 cells at 1 uM by patch-clamp electrophysiological assay
50033709	20	ChEMBL_762092 (CHEMBL1816131)	Inhibition of human cardiac sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50048867	2	ChEMBL_36327 (CHEMBL650154)	Binding affinity towards Angiotensin receptor from rabbit aorta
50048867	1	ChEBML_36327	Binding affinity towards Angiotensin receptor from rabbit aorta
50035997	2	ChEMBL_61999 (CHEMBL670109)	Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.
50035998	3	ChEMBL_196194 (CHEMBL803639)	The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).
50035998	2	ChEMBL_195520 (CHEMBL800588)	Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).
50048869	1	ChEMBL_162220 (CHEMBL770284)	Displacement of [3H]PDBu from Protein kinase C of CEM cells
50048869	2	ChEMBL_162221 (CHEMBL770285)	Displacement of [3H]PDBu binding to Protein kinase C of CEM cells with 10% fetal calf serum
50036003	6	ChEMBL_70330 (CHEMBL678835)	Inhibition of Fibrinogen receptor
50036003	8	ChEMBL_70329 (CHEMBL674948)	Inhibition of Fibrinogen binding to Fibrinogen receptor
50033711	1	ChEMBL_761999 (CHEMBL1815951)	Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressing human HEK293 cells to human CD4/CCR5 receptor expressing HOS cells after 24 hrs by luciferase reporter gene assay
50033711	2	ChEMBL_761998 (CHEMBL1815950)	Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization
50033711	3	ChEMBL_762016 (CHEMBL1815968)	Displacement of MIP-1alpha from human CCR5 expressed in CHO cells
50033711	4	ChEMBL_762017 (CHEMBL1815969)	Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxis
50033711	5	ChEMBL_762018 (CHEMBL1815970)	Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilization
50033711	6	ChEMBL_762019 (CHEMBL1815971)	Antagonist activity at human CCR5 assessed as inhibition of RANTES-induced calcium mobilization
50033711	7	ChEMBL_762023 (CHEMBL1816015)	Antagonist activity at rabbit CCR5 assessed as inhibition of RANTES-induced calcium mobilization
50033711	8	ChEMBL_762002 (CHEMBL1815954)	Inhibition of CYP3A4
50033711	9	ChEMBL_762022 (CHEMBL1816014)	Antagonist activity at rat CCR5 assessed as inhibition of RANTES-induced calcium mobilization
50033712	1	ChEMBL_762122 (CHEMBL1816161)	Inhibition of c-Met after 60 mins by ELISA
50033712	2	ChEMBL_762129 (CHEMBL1816200)	Inhibition of c-Kit
50033712	3	ChEMBL_762131 (CHEMBL1816202)	Inhibition of PDGFRbeta
50033712	4	ChEMBL_762132 (CHEMBL1816203)	Inhibition of RET
50033712	5	ChEMBL_762133 (CHEMBL1816204)	Inhibition of EGFR
50033712	6	ChEMBL_762134 (CHEMBL1816205)	Inhibition of ERBB2
50033712	7	ChEMBL_762209 (CHEMBL1816280)	Inhibition of ERBB4
50033712	8	ChEMBL_762210 (CHEMBL1816281)	Inhibition of c-SRC
50033712	9	ChEMBL_762211 (CHEMBL1816282)	Inhibition of Abl
50033712	10	ChEMBL_762212 (CHEMBL1816283)	Inhibition of EPHA2
50033712	11	ChEMBL_762213 (CHEMBL1816284)	Inhibition of EPHB2
50033712	12	ChEMBL_762215 (CHEMBL1816286)	Inhibition of FGFR1
50033712	13	ChEMBL_762216 (CHEMBL1816287)	Inhibition of FLT1
50033712	14	ChEMBL_762225 (CHEMBL1816296)	Inhibition of c-Met phosphorylation
50033712	15	ChEMBL_762214 (CHEMBL1816285)	Inhibition of IGF1R
50033712	17	ChEMBL_762130 (CHEMBL1816201)	Inhibition of PDGFRalpha
50033713	1	ChEMBL_760918 (CHEMBL1814856)	Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting
50033713	2	ChEMBL_760919 (CHEMBL1814857)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting
50033713	4	ChEMBL_760921 (CHEMBL1814859)	Displacement of [3H]nor-Binaltorphimine from human kappa opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50033713	5	ChEMBL_760922 (CHEMBL1814860)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50033714	1	ChEMBL_760969 (CHEMBL1814966)	Inhibition of PARG using [alpha-32P]ADP-ribose polymers after 5 mins by TRAP assay
50033714	2	ChEMBL_760968 (CHEMBL1814965)	Inhibition of PARP-1 using [32P]-NAD+ after 15 mins
50033715	1	ChEMBL_760981 (CHEMBL1815009)	Inhibition of human MAO-B assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method
50033715	2	ChEMBL_760980 (CHEMBL1815008)	Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method
50033716	1	ChEMBL_760998 (CHEMBL1815026)	Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay
50033716	2	ChEMBL_760992 (CHEMBL1815020)	Inhibition of human thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay
50033716	3	ChEMBL_760996 (CHEMBL1815024)	Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay
50033718	1	ChEMBL_761450 (CHEMBL1817171)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells
50033718	2	ChEMBL_761451 (CHEMBL1817172)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells
50033719	1	ChEMBL_761368 (CHEMBL1816906)	Inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50033719	2	ChEMBL_761367 (CHEMBL1816905)	Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50033719	3	ChEMBL_761366 (CHEMBL1816904)	Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50033719	4	ChEMBL_761370 (CHEMBL1816908)	Competitive inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition
50033719	5	ChEMBL_761374 (CHEMBL1816912)	Inhibition of DPP8
50033719	6	ChEMBL_761375 (CHEMBL1816913)	Inhibition of DPP9
50033719	7	ChEMBL_761376 (CHEMBL1816914)	Inhibition of DPP4
50033719	8	ChEMBL_761377 (CHEMBL1816915)	Inhibition of DPP2
50033720	1	ChEMBL_761462 (CHEMBL1817183)	Inhibition of human ADK using [3H]-adenosine by scintillation counting
50033721	1	ChEMBL_761571 (CHEMBL1815889)	Inhibition of human alpha-thrombin assessed as spectrozyme TH hydrolysis after 10 mins by spectrophotometric analysis
50033722	1	ChEMBL_761694 (CHEMBL1816686)	Inhibition of human HDAC1 using rhodamine as substrate after 1 hrs by fluorescence assay
50033722	2	ChEMBL_761695 (CHEMBL1816687)	Inhibition of human HDAC2 using rhodamine as substrate after 1 hrs by fluorescence assay
50033722	3	ChEMBL_761696 (CHEMBL1816688)	Inhibition of human HDAC6 using rhodamine as substrate after 1 hrs by fluorescence assay
50033722	4	ChEMBL_761697 (CHEMBL1816689)	Inhibition of N terminal hexahistidine-tagged human HDAC8 expressed in Sf9 cells after 1 hr by fluorescence assay
50033723	1	ChEMBL_761853 (CHEMBL1817212)	Inhibition of EGFR after 1 hrs by luminescence assay
50000379	3	ChEMBL_2320 (CHEMBL617527)	Affinity on 5-hydroxytryptamine 2 receptor labeled by [125I]DOI
50048870	1	ChEMBL_46287 (CHEMBL657995)	Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol to cannabinoid receptor from synaptosomal membranes of rat whole brain
50000494	2	ChEMBL_31769 (CHEMBL643096)	Inhibitory activity against aldose reductase isolated from human placenta
50036007	4	ChEMBL_218058 (CHEMBL821470)	ARI(aldose reductase inhibitor) enantiospecificity against human placental aldose reductase.
50033725	1	ChEMBL_762137 (CHEMBL1816208)	Binding affinity to human arginase 1 using L-arginine as substrate by surface plasmon resonance assay
50033725	2	ChEMBL_762138 (CHEMBL1816209)	Inhibition of Plasmodium falciparum arginase using L-arginine as substrate by colorimetric assay
50033725	3	ChEMBL_762135 (CHEMBL1816206)	Binding affinity to human arginase 2
50033725	4	ChEMBL_762051 (CHEMBL1816043)	Binding affinity to human arginase 1
50033725	5	ChEMBL_762136 (CHEMBL1816207)	Binding affinity to Plasmodium falciparum arginase
50033726	1	ChEMBL_762141 (CHEMBL1816212)	Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry
50033726	2	ChEMBL_762142 (CHEMBL1816213)	Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry
50033726	3	ChEMBL_762143 (CHEMBL1816214)	Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry
50033726	4	ChEMBL_762145 (CHEMBL1816216)	Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry
50033726	5	ChEMBL_762146 (CHEMBL1816217)	Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry
50033726	6	ChEMBL_762148 (CHEMBL1816219)	Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 after 5 mins by HPLC
50033727	1	ChEMBL_762247 (CHEMBL1816318)	Antagonist activity at smoothened expressed in mouse Shh Light2 cells assessed as inhibition of purmorphamine- induced Gli-dependent luciferase gene expression
50033727	2	ChEMBL_762248 (CHEMBL1816319)	Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 2% fetal calf serum
50033727	3	ChEMBL_762249 (CHEMBL1816320)	Displacement of BODIPY-cyclopamine from human Smo expressed in HEK293 cells in presence of 20% normal human serum
50033727	4	ChEMBL_761089 (CHEMBL1815298)	Inhibition of CYP2C9
50033727	5	ChEMBL_761090 (CHEMBL1815299)	Inhibition of CYP3A4
50033727	6	ChEMBL_761091 (CHEMBL1815300)	Inhibition of CYP2D6
50033728	1	ChEMBL_761104 (CHEMBL1815358)	Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50033728	2	ChEMBL_761105 (CHEMBL1815359)	Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033728	3	ChEMBL_761106 (CHEMBL1815360)	Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033728	4	ChEMBL_761107 (CHEMBL1815361)	Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033728	5	ChEMBL_761111 (CHEMBL1815365)	Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50033728	6	ChEMBL_761109 (CHEMBL1815363)	Displacement of [3H]-SQ29548 from human TP receptor expressed in CHO cells after 30 mins by liquid scintillation counting
50033728	7	ChEMBL_761110 (CHEMBL1815364)	Displacement of [3H]-Iloprost from human IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting
50033728	8	ChEMBL_761112 (CHEMBL1815366)	Antagonist activity at mouse DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced cAMP accumulation after 10 mins by enzyme immunoassay in the presence of 0.1% BSA
50033728	9	ChEMBL_761108 (CHEMBL1815362)	Displacement of [3H]-PGF2-alpha from mouse FP receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033729	1	ChEMBL_761209 (CHEMBL1816479)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50033729	2	ChEMBL_761210 (CHEMBL1816480)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50033729	3	ChEMBL_761291 (CHEMBL1816745)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50033729	4	ChEMBL_761292 (CHEMBL1816746)	Inhibition of human ERG expressed in CHO cells by high throughput single cell planar patch clamp method
50033729	5	ChEMBL_761208 (CHEMBL1816478)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50000497	12	ChEMBL_139316 (CHEMBL752309)	Inhibition of [3H]QNB binding to muscarinic receptor of rat heart membrane preparation.
50000497	13	ChEMBL_139313 (CHEMBL752306)	Inhibition of [3H]- Oxo-M binding to muscarinic receptor of rat brain membrane preparations
50000497	11	ChEMBL_139315 (CHEMBL752308)	Inhibition of [3H]QNB binding to muscarinic receptor of rat brain membrane preparation.
50033730	2	ChEMBL_761391 (CHEMBL1817021)	Inhibition of human 15-lipoxygenase
50033730	3	ChEMBL_761392 (CHEMBL1817022)	Inhibition of human platelet-type 12-lipoxygenase
50033730	4	ChEMBL_761394 (CHEMBL1817024)	Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	5	ChEMBL_761395 (CHEMBL1817025)	Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	6	ChEMBL_761396 (CHEMBL1817026)	Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-2 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	7	ChEMBL_761403 (CHEMBL1817033)	Inhibition of mouse N-terminally His6-tagged 12-lipoxygenase expressed in SF9 insect cells assessed as 12-HPETE formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	8	ChEMBL_761404 (CHEMBL1817034)	Inhibition of mouse N-terminally His6-tagged 15-lipoxygenase expressed in SF9 insect cells assessed as 15-HPETE formation using arachidonic acid by UV-vis spectrophotometer analysis
50033730	9	ChEMBL_761406 (CHEMBL1817036)	Inhibition of ovine COX-1 using arachidonic acid as substrate after 20 mins
50033730	10	ChEMBL_761405 (CHEMBL1817035)	Inhibition of human COX-2 using arachidonic acid as substrate after 20 mins
50033730	11	ChEMBL_762451 (CHEMBL1816721)	Inhibition of 12-lipoxygenase in human platelets assessed as reduction of PAR1-AP-induced 12 HETE production by LC-MS/MS analysis
50033731	1	ChEMBL_762463 (CHEMBL1816733)	Inhibition of 17Beta-HSD3 expressed in intact HEK293 cells assessed as transformation of [14C]-4-androstene-3,17-dione into [14C]-testosterone in presence of NADPH after 1 hr incubation
50033732	1	ChEMBL_762492 (CHEMBL1816862)	Inhibition of recombinant AKT1 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	3	ChEMBL_762494 (CHEMBL1816864)	Inhibition of recombinant ARK5 assessed as 33Pi incorporation after 60 mins by scintillation counting
50000497	14	ChEMBL_139314 (CHEMBL752307)	Inhibition of [3H]QNB binding to muscarinic acetylcholine receptor of rat heart membrane preparation.
50033732	5	ChEMBL_762496 (CHEMBL1816866)	Inhibition of recombinant AXL assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	6	ChEMBL_762497 (CHEMBL1816867)	Inhibition of recombinant FAK assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	7	ChEMBL_762498 (CHEMBL1816868)	Inhibition of recombinant IGF1-R assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	8	ChEMBL_762499 (CHEMBL1816869)	Inhibition of wild type MEK1 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	9	ChEMBL_762500 (CHEMBL1816870)	Inhibition of wild type MET assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	10	ChEMBL_762501 (CHEMBL1816871)	Inhibition of recombinant NEK2 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	11	ChEMBL_762502 (CHEMBL1816872)	Inhibition of recombinant NEK6 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	12	ChEMBL_762503 (CHEMBL1816873)	Inhibition of recombinant PIM1 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	13	ChEMBL_762504 (CHEMBL1816874)	Inhibition of recombinant PLK1 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	14	ChEMBL_762505 (CHEMBL1816875)	Inhibition of recombinant PRK1 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	15	ChEMBL_762506 (CHEMBL1816876)	Inhibition of recombinant SRC assessed as 33Pi incorporation after 60 mins by scintillation counting
50033732	16	ChEMBL_762507 (CHEMBL1816877)	Inhibition of recombinant VEGF-R2 assessed as 33Pi incorporation after 60 mins by scintillation counting
50033733	1	ChEMBL_762512 (CHEMBL1816969)	Displacement of [3H]SR141716A from rat brain CB1 receptor at pH 7.4 after 1 hr by liquid scintillation counting
50033733	2	ChEMBL_762534 (CHEMBL1816991)	Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO cells at pH 7.4 after 1 hr by liquid scintillation counting
50033733	3	ChEMBL_762537 (CHEMBL1816994)	Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of potassium channel current after 5 mins by patch clamp assay
50000497	15	ChEMBL_139311 (CHEMBL752305)	Inhibition of [3H]- Oxo-M binding to muscarinic acetylcholine receptor of rat brain membrane preparations
50000497	16	ChEMBL_139312 (CHEMBL857625)	Inhibition of [3H]- Oxo-M binding to muscarinic acetylcholine receptor of rat heart membrane preparation.
50000498	4	ChEMBL_53758 (CHEMBL662006)	Inhibition of bovine adrenal desmolase
50041198	6	ChEMBL_85512 (CHEMBL696493)	Inhibition of [125I]APT binding to histamine H2 receptor in guinea pig cerebral membranes.
50036010	2	ChEMBL_30554 (CHEMBL649866)	Inhibition of [3H]NECA binding to adenosine A2 receptor from rat striatal membranes
50000508	10	ChEMBL_29622 (CHEMBL636640)	Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes
50036012	30	ChEMBL_27759 (CHEMBL643364)	Binding affinity against Adenosine A2 receptor from rat striatal membranes with 50 nM CPA using [3H]-NECA
50036012	38	ChEMBL_28545 (CHEMBL640324)	Inhibition of adenylate cyclase via Adenosine A1 receptor in rat fat cell membranes
50033736	1	ChEMBL_762633 (CHEMBL1817278)	Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay
50033737	1	ChEMBL_762652 (CHEMBL1817376)	Inhibition of human ERG expressed in HEK293 cells assessed as inhibition of tail current at holding potential of -70 mV after 10 mins by whole-cell patch clamp method
50033737	2	ChEMBL_762645 (CHEMBL1817369)	Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as PGE2 production using arachidonic acid as substrate preincubated for 15 mins measured after 5 mins by EIA
50036012	23	ChEMBL_28544 (CHEMBL640323)	Inhibition of adenylate cyclase via A1 receptors in rat fat cell membranes
50033738	1	ChEMBL_762656 (CHEMBL1817380)	Inhibition of human full length SIRT2 using H2N-MPSD-AcK-TIGG-COOH as substrate assessed as enzymatic deacetylation product formation after 60 mins by HPLC analysis
50033738	2	ChEMBL_762657 (CHEMBL1817381)	Inhibition of human SIRT3 (102-399) using H2N-KRLPKTRSG-AcK-VMRRLLRKII-COOH as substrate assessed as enzymatic deacetylation product formation after 5 mins by HPLC analysis
50033738	3	ChEMBL_762655 (CHEMBL1817379)	Inhibition of human GST-tagged SIRT1 using H2NHK-AcK-LM-COOH as substrate assessed as enzymatic deacetylation product formation after 5 mins by HPLC analysis
50033739	1	ChEMBL_762663 (CHEMBL1817387)	Inhibition of Fragile histidine triad protein hydrolytic activity
50033740	1	ChEMBL_762737 (CHEMBL1815988)	Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay
50033740	2	ChEMBL_762738 (CHEMBL1815989)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 at pH 8.3 by stopped flow CO2 hydration assay
50033740	3	ChEMBL_762739 (CHEMBL1815990)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 at pH 8.3 by stopped flow CO2 hydration assay
50033740	4	ChEMBL_762736 (CHEMBL1815987)	Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay
50033741	1	ChEMBL_762782 (CHEMBL1816084)	Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorimetry assay
50033742	1	ChEMBL_762795 (CHEMBL1816097)	Inhibition of rat FAAH assessed as conversion [14]C-oleamide to oleic acid
50033742	2	ChEMBL_762794 (CHEMBL1816096)	Inhibition of FAAH
50033742	3	ChEMBL_762793 (CHEMBL1816095)	Inhibition of FAAH assessed as conversion [14]C-oleamide to oleic acid by Scintillation counting at pH 9
50033742	4	ChEMBL_762791 (CHEMBL1816093)	Reversible inhibition of human FAAH
50033742	5	ChEMBL_762792 (CHEMBL1816094)	Reversible inhibition of rat FAAH
50033742	6	ChEMBL_762790 (CHEMBL1816092)	Inhibition of mouse FAAH
50033742	7	ChEMBL_762787 (CHEMBL1816089)	Inhibition of mouse MAGL
50033742	8	ChEMBL_762788 (CHEMBL1816090)	Inhibition of rat FAAH
50036012	31	ChEMBL_27614 (CHEMBL643987)	Binding affinity against Adenosine A2 receptor from rat striatal membrane with 50 nM CPA using [3H]NECA
50036012	32	ChEMBL_28671 (CHEMBL644726)	Maximal NECA stimulation of adenylate cyclase via Adenosine A2 receptor in human platelet membranes
50036013	5	ChEMBL_145870 (CHEMBL754075)	Inhibition of 0.5 nM [3H]bremazocine binding to guinea pig brain membrane opioid receptors
50048871	1	ChEMBL_138767 (CHEMBL748834)	In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic acetylcholine receptor
50048871	2	ChEMBL_138771 (CHEMBL747399)	In vitro displacement of [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic receptor.
50048871	3	ChEMBL_138768 (CHEMBL748835)	In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex muscarinic receptor.
50033744	1	ChEMBL_762827 (CHEMBL1816184)	Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 by fluorogenic assay
50048871	4	ChEMBL_138766 (CHEMBL748833)	In vitro ability to displace [3H]oxotremorine-M (OXO-M) from rat cerebral cortex Muscarinic acetylcholine receptor
50048871	5	ChEMBL_138769 (CHEMBL748836)	In vitro ability to displace [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex Muscarinic acetylcholine receptor
50048871	6	ChEMBL_138770 (CHEMBL748837)	In vitro ability to displace [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortex muscarinic acetylcholine receptor
50033745	1	ChEMBL_762360 (CHEMBL1816431)	Inhibition of human recombinant COX2 incubated for 10 mins by enzyme immunoassay
50033746	2	ChEMBL_762394 (CHEMBL1816567)	Inhibition of human MAOA
50033746	3	ChEMBL_762395 (CHEMBL1816568)	Inhibition of human MAOB
50048871	7	ChEMBL_138772 (CHEMBL747400)	In vitro ability to displace [3H]quinuclidinyl benzilate (QNB) from rat cerebral cortexMuscarinic acetylcholine receptor
50033747	1	ChEMBL_762416 (CHEMBL1816589)	Antagonist activity at Vibrio fischeri LuxR assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence
50033748	1	ChEMBL_762422 (CHEMBL1816595)	Inhibition of rabbit lung ACE assessed as reduction in hippuryl-histidyl-leucine substrate by colorimetric assay
50033749	1	ChEMBL_762426 (CHEMBL1816696)	Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting
50033750	1	ChEMBL_762685 (CHEMBL1817503)	Inhibition of human liver glycogen phosphorylase 1a assessed as release of phosphate from glucose-1- phosphate after 20 mins
50033750	2	ChEMBL_762684 (CHEMBL1817502)	Inhibition of rabbit muscle glycogen phosphorylase 1a assessed as release of phosphate from glucose-1- phosphate after 20 mins
50033751	1	ChEMBL_762730 (CHEMBL1815981)	Binding affinity to thrombin at 37 degC by isothermal titration calorimetry
50033753	1	ChEMBL_762854 (CHEMBL1820671)	Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 mins measured after 5 and 25 mins by fluorometric analysis
50033754	1	ChEMBL_762858 (CHEMBL1820675)	Inhibition of recombinant Escherichia coli DAH7P synthase
50033754	2	ChEMBL_762857 (CHEMBL1820674)	Competitive inhibition of recombinant Escherichia coli DAH7P synthase using PEP as substrate by Michaelis-Menten equation analysis using UV-visible spectrophotometry
50033755	1	ChEMBL_762992 (CHEMBL1820809)	Inhibition of CYP2C9
50033755	2	ChEMBL_762993 (CHEMBL1820810)	Inhibition of CYP3A4
50033755	3	ChEMBL_762994 (CHEMBL1820811)	Inhibition of CYP1A2
50033755	4	ChEMBL_762997 (CHEMBL1820814)	Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins measured after 1.5 hrs by Malachite green reagent method
50033755	5	ChEMBL_762998 (CHEMBL1820815)	Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins measured after 1.5 hrs by Malachite green reagent method
50033755	6	ChEMBL_763011 (CHEMBL1820828)	Inhibition of human ERG
50033755	7	ChEMBL_763012 (CHEMBL1820829)	Inhibition of ACC2 in obese Zucker rat assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachite green reagent method
50033755	8	ChEMBL_763013 (CHEMBL1820830)	Inhibition of obese Zucker rat ACC1 assessed as reduction in hepatic malonyl-coA level preincubated for 15 mins measured after 1.5 hrs using Malachite green reagent method
50033756	1	ChEMBL_763058 (CHEMBL1820875)	Inhibition of rat intestinal isomaltase assessed as production of p-nitrophenol at by spectrophotometry
50033756	2	ChEMBL_763059 (CHEMBL1820876)	Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at by spectrophotometry
50033756	3	ChEMBL_763065 (CHEMBL1820882)	Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometry
50033756	4	ChEMBL_763052 (CHEMBL1820869)	Inhibition of rat intestinal lactase assessed as production of p-nitrophenol by spectrophotometry
50033756	5	ChEMBL_763062 (CHEMBL1820879)	Inhibition of bovine liver beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrate by spectrophotometry
50033756	6	ChEMBL_763063 (CHEMBL1820880)	Inhibition of human lysosome beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrate by spectrophotometry
50033756	7	ChEMBL_763068 (CHEMBL1820885)	Inhibition of bovine epididymis alpha-L-fucosidase assessed as production of p-nitrophenol by spectrophotometry
50033757	1	ChEMBL_763090 (CHEMBL1819645)	Inhibition of human CYP1A2 incubated for 10 mins before substrate addition by fluorescence assay
50033757	2	ChEMBL_763091 (CHEMBL1819646)	Inhibition of human CYP2C9 incubated for 10 mins before substrate addition by fluorescence assay
50033757	3	ChEMBL_763092 (CHEMBL1819647)	Inhibition of human CYP2C19 incubated for 10 mins before substrate addition by fluorescence assay
50033757	4	ChEMBL_763093 (CHEMBL1819648)	Inhibition of human CYP2D6 incubated for 10 mins before substrate addition by fluorescence assay
50033757	5	ChEMBL_763094 (CHEMBL1819649)	Inhibition of human CYP3A4 incubated for 10 mins before substrate addition by fluorescence assay
50033758	1	ChEMBL_763104 (CHEMBL1819659)	Inhibition of human TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry
50033758	2	ChEMBL_763105 (CHEMBL1819660)	Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry
50033758	3	ChEMBL_763106 (CHEMBL1819661)	Inhibition of Toxoplasma gondii TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry
50033758	4	ChEMBL_763107 (CHEMBL1819662)	Inhibition of human DHFR by spectrophotometry
50033758	5	ChEMBL_763109 (CHEMBL1819664)	Inhibition of Toxoplasma gondii DHFR by spectrophotometry
50033758	6	ChEMBL_763110 (CHEMBL1819665)	Inhibition of TS by spectrophotometry
50033759	1	ChEMBL_763220 (CHEMBL1820233)	Binding affinity to human ERG by radioligand displacement assay
50033760	1	ChEMBL_763235 (CHEMBL1820248)	Inhibition of wild-type human ERG channel expressed in HEK293 cells assessed as blockade of potassium tail current by whole-cell patch clamp technique
50033760	2	ChEMBL_763238 (CHEMBL1820251)	Inhibition of wild-type human ERG channel expressed in CHO cells by whole-cell patch clamp technique
50033761	1	ChEMBL_763299 (CHEMBL1820393)	Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay
50033761	2	ChEMBL_763289 (CHEMBL1820383)	Inhibition of PDE3A
50036015	6	ChEMBL_201636 (CHEMBL806537)	Inhibition of [3H]paroxetine binding to Serotonin transporter
50036015	7	ChEMBL_61851 (CHEMBL670038)	Inhibition of [3H]WIN-35428l binding to Dopamine transporter
50036016	30	ChEMBL_158123 (CHEMBL762599)	The compound was tested for inhibitory activity against Prostaglandin G/H synthase in mouse macrophage
50036016	27	ChEMBL_158107 (CHEMBL762416)	The compound was tested for inhibitory activity against Prostaglandin G/H synthase in human polymorphonuclear leukocytes[PMNS]
50036016	32	ChEMBL_158286 (CHEMBL764936)	The compound was tested for inhibitory activity against cyclooxygenase in rat polymorphonuclear leukocytes[PMNS]
50036016	15	ChEMBL_4192 (CHEMBL619994)	The compound was tested for inhibitory activity against 5-lipoxygenase translocation inhibitor in RBL-2H3 cells
50036016	29	ChEMBL_158285 (CHEMBL764935)	The compound was tested for inhibitory activity against Prostaglandin G/H synthase using rat polymorphonuclear leukocytes[PMNS]
50036016	28	ChEMBL_158284 (CHEMBL764934)	The compound was tested for inhibitory activity against Prostaglandin G/H synthase in rat polymorphonuclear leukocytes[PMNS]
50036017	4	ChEMBL_192715 (CHEMBL801743)	Compound was evaluated for inhibition of plasma renin activity in monkey
50036019	3	ChEMBL_3807 (CHEMBL619882)	In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-lipoxygenase
50033763	1	ChEMBL_763491 (CHEMBL1819840)	Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay
50033763	2	ChEMBL_763496 (CHEMBL1819845)	Agonist activity at recombinant rat vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay
50033763	3	ChEMBL_763490 (CHEMBL1819839)	Agonist activity at recombinant human vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay
50033763	4	ChEMBL_763493 (CHEMBL1819842)	Agonist activity at human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay
50033763	5	ChEMBL_763492 (CHEMBL1819841)	Agonist activity at recombinant human vasopressin V2 receptor expressed in HEK293 cells by luciferase reporter gene assay
50033764	1	ChEMBL_763152 (CHEMBL1819975)	Inhibition of AurA expressed in Escherichia coli or baculovirus-infected insect cells by IMAP assay
50033764	2	ChEMBL_763153 (CHEMBL1819976)	Inhibition of GSK3-beta expressed in Escherichia coli or baculovirus-infected insect cells using ATP as substrate by fluorescence polarization assay
50033764	3	ChEMBL_763186 (CHEMBL1820097)	Inhibition of JNK1 expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay
50033764	4	ChEMBL_763187 (CHEMBL1820098)	Inhibition of IKK-beta expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay
50033764	5	ChEMBL_763188 (CHEMBL1820099)	Inhibition of p38alpha expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay
50033764	6	ChEMBL_763185 (CHEMBL1820096)	Inhibition of AKT1 expressed in Escherichia coli or baculovirus-infected insect cells by scintillation proximity assay
50033764	7	ChEMBL_763189 (CHEMBL1820100)	Inhibition of SGK1 expressed in Escherichia coli or baculovirus-infected insect cells by IMAP assay
50033764	8	ChEMBL_763190 (CHEMBL1820101)	Inhibition of SYK expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay
50033764	9	ChEMBL_763157 (CHEMBL1819980)	Inhibition of CDK2
50033765	1	ChEMBL_763210 (CHEMBL1820121)	Inhibition of EGFR-induced AP1 activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay
50033765	2	ChEMBL_763211 (CHEMBL1820122)	Inhibition of EGFR-induced HIF1alpha activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay
50033765	3	ChEMBL_763212 (CHEMBL1820123)	Inhibition of EGFR-induced Beta-casein activation in human HeLa cells preincubated for 1 hr prior to EGF stimulation by luciferase reporter gene assay
50033767	1	ChEMBL_763606 (CHEMBL1820132)	Inhibition of recombinant human renin using of DABCYL-c-Abu-IleHis-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 60 to 360 mins by fluorescence method
50033768	1	ChEMBL_763634 (CHEMBL1820160)	Inhibition of human ERG expressed in human HEK293 cells by patch-clamp electrophysiology
50033768	3	ChEMBL_763630 (CHEMBL1820156)	Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence analysis
50033769	1	ChEMBL_763652 (CHEMBL1820178)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50033769	2	ChEMBL_763653 (CHEMBL1820179)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50033769	4	ChEMBL_763682 (CHEMBL1820307)	Agonist activity at human mu opioid receptor by GTPgamma S binding assay
50033770	1	ChEMBL_763835 (CHEMBL1820599)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins by spectroscopic method
50033771	1	ChEMBL_763958 (CHEMBL1820359)	Mixed-type inhibition of human AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis
50033771	2	ChEMBL_763956 (CHEMBL1820357)	Inhibition of human serum recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method
50000072	9	ChEMBL_153645 (CHEMBL762710)	Inhibition of human platelet PDE cAMP hydrolysis
50048872	1	ChEMBL_216496 (CHEMBL819306)	Inhibition of human platelet c-AMP phosphodiesterase PDE 3
50033772	2	ChEMBL_763989 (CHEMBL1820072)	Inhibition of human MMP-2 after 30 mins by spectrophotometry
50033772	3	ChEMBL_763991 (CHEMBL1820074)	Inhibition of APN in human HL60 cells assessed as hydrolysis of L-Leu-p-nitroanilide by spectrophotometry
50048872	2	ChEMBL_216497 (CHEMBL819307)	Inhibition of human platelet cAMP Phosphodiesterase PDE 3
50033773	1	ChEMBL_763995 (CHEMBL1820078)	Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry
50033774	1	ChEMBL_763997 (CHEMBL1820080)	Inhibition of squalene synthase in Wistar Charles River rat assessed as formation of squalene using [3H]FPP as substrate after 20 mins by scintillation counting
50033775	1	ChEMBL_764033 (CHEMBL1820497)	Inhibition of Streptococcus pneumoniae hyaluronidase after 1 hr by microplate reader assay
50033777	1	ChEMBL_764105 (CHEMBL1821316)	Displacement of [125I]BH-SP from human tachykinin NK1 receptor expressed in IM9 cells after 30 mins by scintillation counting
50033778	1	ChEMBL_764120 (CHEMBL1821331)	Inhibition of human cloned full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay
50033778	2	ChEMBL_764119 (CHEMBL1821330)	Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50033778	3	ChEMBL_764118 (CHEMBL1821329)	Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50033778	4	ChEMBL_764117 (CHEMBL1821328)	Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50033778	5	ChEMBL_764116 (CHEMBL1821327)	Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50033779	3	ChEMBL_764123 (CHEMBL1821334)	Inhibition of CCL5 binding to CCR5 expressed in CHO cells
50033781	1	ChEMBL_764159 (CHEMBL1821370)	Inhibition of recombinant Staphylococcus aureus ATCC 6538p sortase lacking the N-terminal membrane anchor domain expressed in Escherichia coli cells TOP10 using Dabcyl-QALPETGEE-Edans substrate measured after 1 hr by fluorescence S13 spectrophotometry
50033781	2	ChEMBL_764160 (CHEMBL1821371)	Inhibition of Candida albicans isocitrate lyase
50033782	1	ChEMBL_764181 (CHEMBL1821392)	Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry
50033782	2	ChEMBL_764179 (CHEMBL1821390)	Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry
50033783	1	ChEMBL_764208 (CHEMBL1821419)	Binding affinity to estrogen receptor-alpha after 2 hrs by TR-FRET assay
50033784	1	ChEMBL_763888 (CHEMBL1820652)	Inhibition of Mycobacterium tuberculosis isocitrate lyase
50033785	1	ChEMBL_763907 (CHEMBL1819932)	Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control
50033785	2	ChEMBL_763896 (CHEMBL1819921)	Inhibition of Mycobacterium tuberculosis recombinant EphE expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control
50033785	3	ChEMBL_763895 (CHEMBL1819920)	Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay
50033786	1	ChEMBL_764352 (CHEMBL1820904)	Inhibition of Pseudomonas aeruginosa LasR
50033787	1	ChEMBL_764353 (CHEMBL1820905)	Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay
50033787	2	ChEMBL_764354 (CHEMBL1820906)	Inhibition of KSP in human HeLa cells assessed as bipolar spindle formation
50033788	1	ChEMBL_764478 (CHEMBL1821030)	Competitive inhibition of Bacillus subtilis LuxS preincubated for 15 mins by UV-vis spectrophotometric analysis
50033789	1	ChEMBL_764481 (CHEMBL1821033)	Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis
50033790	1	ChEMBL_764331 (CHEMBL1821542)	Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting
50033790	2	ChEMBL_764332 (CHEMBL1821543)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation counting
50033790	3	ChEMBL_764333 (CHEMBL1821544)	Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting
50033790	4	ChEMBL_764334 (CHEMBL1821545)	Antagonist activity at rat MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation counting
50033791	1	ChEMBL_764381 (CHEMBL1820933)	Inhibition of bovine milk xanthine oxidase assessed as decrease of uric acid formation preincubated for 5 mins by UV-visible spectrophotometric analysis
50033792	1	ChEMBL_764455 (CHEMBL1821007)	Displacement of [125I]CRF from human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells after 2 hrs by gamma counting
50033792	2	ChEMBL_764454 (CHEMBL1821006)	Antagonist activity at human corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP production after 15 mins by enzyme immunoassay
50033792	3	ChEMBL_764453 (CHEMBL1821005)	Displacement of [125I]CRF from corticotropin-releasing factor receptor 1 in rat brain membranes after 2 hrs by gamma counting
50033792	4	ChEMBL_764451 (CHEMBL1821003)	Antagonist activity at rat corticotropin-releasing factor receptor 1 expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP production after 15 mins by enzyme immunoassay
50033793	1	ChEMBL_764466 (CHEMBL1821018)	Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence assay
50033793	2	ChEMBL_764492 (CHEMBL1821044)	Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis
50033793	3	ChEMBL_764494 (CHEMBL1821046)	Inhibition of DPP2
50033793	4	ChEMBL_764495 (CHEMBL1821047)	Inhibition of DPP8
50033793	5	ChEMBL_764496 (CHEMBL1821048)	Inhibition of DPP9
50033793	6	ChEMBL_764497 (CHEMBL1821049)	Inhibition of prolyl oligopeptidase
50033793	8	ChEMBL_764499 (CHEMBL1821051)	Inhibition of aminopeptidase P
50033793	9	ChEMBL_764500 (CHEMBL1821052)	Binding affinity to muscarinic receptor 1
50033793	10	ChEMBL_764501 (CHEMBL1821053)	Binding affinity to muscarinic receptor 2
50033793	11	ChEMBL_764502 (CHEMBL1821054)	Binding affinity to muscarinic receptor 4
50033793	12	ChEMBL_764468 (CHEMBL1821020)	Inhibition of human ERG
50033793	13	ChEMBL_764503 (CHEMBL1821055)	Inhibition of CYP1A2
50033793	15	ChEMBL_764505 (CHEMBL1821057)	Inhibition of CYP2C8
50033793	16	ChEMBL_764506 (CHEMBL1821058)	Inhibition of CYP2C9
50033793	17	ChEMBL_764507 (CHEMBL1821059)	Inhibition of CYP2C19
50033793	18	ChEMBL_764492 (CHEMBL1821044)	Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis
50033793	19	ChEMBL_764509 (CHEMBL1821061)	Inhibition of CYP2D6
50033794	1	ChEMBL_764539 (CHEMBL1821091)	Inhibition of human SGLT2 expressed in CHO cells assessed as reduction of [14C]-labeled AMG after 2 hrs by liquid scintillation counting
50033795	1	ChEMBL_764605 (CHEMBL1821157)	Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation activity by luciferase assay
50033795	2	ChEMBL_764612 (CHEMBL1821164)	Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis
50033795	3	ChEMBL_764613 (CHEMBL1821165)	Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysis
50033796	1	ChEMBL_764617 (CHEMBL1821169)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins
50033796	2	ChEMBL_764618 (CHEMBL1821170)	Inhibition of human SGLT1 expressed in CHO cells assessed as [14C]AMG uptake after 45 mins
50033797	1	ChEMBL_764625 (CHEMBL1821177)	Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay
50033799	1	ChEMBL_764651 (CHEMBL1821203)	Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysis
50033799	2	ChEMBL_764652 (CHEMBL1821204)	Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis
50033799	3	ChEMBL_764653 (CHEMBL1821205)	Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 in presence of ATP measured without preincubation by AlphaScreen analysis
50033799	4	ChEMBL_764654 (CHEMBL1821206)	Inhibition of human N-terminal His-tagged phosphorylated VEGFR2 preincubated for 120 mins in presence of ATP by AlphaScreen analysis
50033799	5	ChEMBL_764655 (CHEMBL1821207)	Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 10 mins by Global fit analysis
50033799	6	ChEMBL_764659 (CHEMBL1821211)	Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay
50033799	7	ChEMBL_764660 (CHEMBL1821212)	Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by ligand displacement based enzyme-inhibitor dilution assay
50033799	8	ChEMBL_764667 (CHEMBL1821219)	Binding affinity to human N-terminal His-tagged non-phosphorylated VEGFR2 by surface plasmon resonance analysis
50033800	1	ChEMBL_764670 (CHEMBL1821222)	Displacement of [3H]PGE2 from mouse prostaglandin EP1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	2	ChEMBL_764673 (CHEMBL1821225)	Displacement of [3H]PGE2 from mouse prostaglandin EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	3	ChEMBL_764674 (CHEMBL1821226)	Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	4	ChEMBL_764671 (CHEMBL1821223)	Displacement of [3H]PGE2 from mouse prostaglandin EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	5	ChEMBL_764672 (CHEMBL1821224)	Displacement of [3H]PGE2 from mouse prostaglandin EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	6	ChEMBL_764677 (CHEMBL1821229)	Displacement of [3H]PGF2alpha from mouse prostanoid FP receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	7	ChEMBL_764678 (CHEMBL1821230)	Displacement of [3H]-SQ29548 from human prostanoid TP receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	8	ChEMBL_764675 (CHEMBL1821227)	Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50033800	9	ChEMBL_764676 (CHEMBL1821228)	Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production
50033801	1	ChEMBL_765226 (CHEMBL1827779)	Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi
50033801	2	ChEMBL_765230 (CHEMBL1827783)	Antagonist activity at Pseudomonas aeruginosa LasR receptor assessed as inhibition of bioluminescence by reporter gene assay
50033801	3	ChEMBL_765232 (CHEMBL1827785)	Antagonist activity at Vibrio fischeri luxR receptor in presence of 5 uM 3-oxo-C6-HSL
50033801	4	ChEMBL_765233 (CHEMBL1827786)	Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 100 nM 3-oxo-C8-HSL
50033801	5	ChEMBL_765282 (CHEMBL1827921)	Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in absence of natural autoinducer
50033801	6	ChEMBL_765283 (CHEMBL1827922)	Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichia coli in presence of 7.5 nM natural auto-inducer 3-oxo-C12-HSL
50033801	7	ChEMBL_765284 (CHEMBL1827923)	Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expression by LacZ reporter gene assay
50033801	8	ChEMBL_765231 (CHEMBL1827784)	Agonist activity at Vibrio fischeri luxR receptor in absence of natural autoinducer
50033801	9	ChEMBL_765227 (CHEMBL1827780)	Inhibition of Chromobacterium violaceum CviR-dependent GFP fluorescence in Escherichia coli
50033802	1	ChEMBL_765688 (CHEMBL1827133)	Inhibition of SREBP2 activation expressed in CHO-K1 cells co-transfected with pSRE-Luc plasmid assessed as inhibition of luciferase expression after 20 hrs by luciferase reporter gene assay
50033802	2	ChEMBL_765690 (CHEMBL1827135)	Inhibition of SREBP2 activation expressed in CHO-K1 cells by densitometric analysis
50033803	1	ChEMBL_765884 (CHEMBL1827810)	Inhibition of LPS-induced TLR4 activation in mouse RAW264.7 cells assessed as reduction in NO production after 18 to 24 hrs
50033803	2	ChEMBL_765952 (CHEMBL1827968)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as probe
50033803	3	ChEMBL_765953 (CHEMBL1827969)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as probe
50033803	4	ChEMBL_765951 (CHEMBL1827967)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as probe
50033803	5	ChEMBL_765950 (CHEMBL1827966)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as probe
50033803	6	ChEMBL_765885 (CHEMBL1827811)	Inhibition of LPS-induced TLR4 activation in human whole blood assessed as inhibition of IL-8 release preincubated for 5 to 10 mins
50033803	7	ChEMBL_765886 (CHEMBL1827812)	Inhibition of LPS-induced TLR4 activation in human whole blood assessed as inhibition of TNFalpha release preincubated for 5 to 10 mins
50033803	8	ChEMBL_765887 (CHEMBL1827813)	Inhibition of LPS-induced TLR4 activation in human whole blood assessed as inhibition of IL-6 release preincubated for 5 to 10 mins
50033804	1	ChEMBL_764841 (CHEMBL1826784)	Inhibition of castor seed ricin A chain translation degradation activity in rabbit reticulocyte lysate after 90 mins by luciferase-based luminometer analysis
50033805	1	ChEMBL_764847 (CHEMBL1826790)	Inhibition of human c-MET
50033805	2	ChEMBL_764846 (CHEMBL1826789)	Inhibition of human c-MET assessed as [33P]gamma-ATP incorporation into KKKSPGEYVNIEFC substrate after 40 mins by scintillation counting
50033806	1	ChEMBL_764951 (CHEMBL1827108)	Inhibition of Mycobacterium tuberculosis ThyX-mediated dTMP synthesis using [5-3H]dUMP as substrate after 10 mins by liquid scintillation counting
50033806	2	ChEMBL_764952 (CHEMBL1827109)	Inhibition of Mycobacterium tuberculosis His-tagged ThyA-mediated dTMP synthesis expressed in BL21 (DE3) Escherichia coli RbCl cells after 30 mins by photometric assay
50033807	1	ChEMBL_765066 (CHEMBL1827423)	Inhibition of Mycobacterium tuberculosis Thymidylate kinase
50033808	1	ChEMBL_765399 (CHEMBL1828247)	Inhibition of human recombinant CDC25B
50033808	2	ChEMBL_765400 (CHEMBL1828248)	Inhibition of human recombinant SHP1 in Tris buffer at pH 8 using OMPF as substrate
50033808	3	ChEMBL_765397 (CHEMBL1828245)	Inhibition of PTP1B using p-nitrophenyl phosphate as substrate
50033808	4	ChEMBL_765398 (CHEMBL1828246)	Inhibition of TCPTP
50033809	1	ChEMBL_765494 (CHEMBL1826049)	Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting
50033810	1	ChEMBL_765261 (CHEMBL1827900)	Displacement of FAM-Bid peptide from human recombinant Bcl2 after 30 mins by by competitive fluorescence polarization assay
50033810	2	ChEMBL_765262 (CHEMBL1827901)	Displacement of FAM-Bid peptide from human Mcl-1 after 30 mins by competitive fluorescence polarization assay
50033811	1	ChEMBL_765278 (CHEMBL1827917)	Inhibition of human recombinant GST-fused ALK5 expressed in insect Sf9 cells using casein as substrate by radiometric kinase assay
50033811	2	ChEMBL_765279 (CHEMBL1827918)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as substrate by radiometric kinase assay
50033812	1	ChEMBL_765426 (CHEMBL1828368)	Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis
50033813	1	ChEMBL_765732 (CHEMBL1827311)	Inhibition of PDE3B assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assay
50033813	2	ChEMBL_765731 (CHEMBL1827310)	Inhibition of PDE3A assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assay
50033813	3	ChEMBL_765735 (CHEMBL1827314)	Inhibition of rat PDE10A
50033813	4	ChEMBL_765730 (CHEMBL1827309)	Inhibition of human recombinant PDE10A assessed as reduction in hydrolysis of [3H]cAMP by scintillation proximity assay
50048872	3	ChEMBL_216498 (CHEMBL819308)	Inhibition of human platelet cAMP phosphodiesterase PDE 3
50048873	1	ChEMBL_47330 (CHEMBL659668)	Inhibition of Carbonic anhydrase enzyme in rabbits
50000151	8	ChEMBL_2356 (CHEMBL617430)	Compound was evaluated for in vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radioligand
50000151	7	ChEMBL_2357 (CHEMBL617431)	Compound was evaluated for in vitro binding affinity towards serotonin 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- spiperone as radioligand
50000320	3	ChEMBL_40035 (CHEMBL653016)	In vitro smooth muscle contraction activity in guinea pig ileum consists of two or three CCK receptor subtypes
50036024	4	ChEMBL_147215 (CHEMBL873067)	In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.
50033815	1	ChEMBL_766013 (CHEMBL1828142)	Inhibition of HDAC1 using KI-177 as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by fluorescence assay
50033815	2	ChEMBL_766014 (CHEMBL1828143)	Inhibition of human HDAC8 using Boc-Lys(TFA)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by fluorescence assay
50033815	3	ChEMBL_766015 (CHEMBL1828253)	Inhibition of HDAC4 using Boc-Lys(TFA)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by fluorescence assay
50033815	4	ChEMBL_766016 (CHEMBL1828254)	Inhibition of HDAC6 using Boc-Lys(Ac)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by fluorescence assay
50033816	1	ChEMBL_766021 (CHEMBL1828259)	Inhibition of human PI3Kalpha using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP
50033816	2	ChEMBL_766022 (CHEMBL1828260)	Inhibition of recombinant N-terminal GST-tagged mTOR-mediated 4E-BP1 phosphorylation after 60 mins by TR-FRET assay
50033816	3	ChEMBL_766023 (CHEMBL1828261)	Inhibition of PI3K-mediated Akt phosphorylation at Ser 473 in human U87MG cells after 2 hrs by alphascreen assay
50033816	4	ChEMBL_766098 (CHEMBL1828450)	Inhibition of human N-terminal His-tagged PI3Kbeta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 20 uM ATP
50033816	5	ChEMBL_766099 (CHEMBL1826066)	Inhibition of human N-terminal His-tagged PI3Kgamma expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 8 uM ATP
50033816	6	ChEMBL_766100 (CHEMBL1826067)	Inhibition of human N-terminal His-tagged PI3Kdelta expressed in insect Sf9 cells using PI(4,5)P2 as substrate after 20 mins by alphascreen assay in presence of 8 uM ATP
50048874	1	ChEMBL_34519 (CHEMBL648160)	Inhibitory constant was measured on alpha-2 adrenergic receptor /uptake using [3H]- clonidine as radioligand in rat brain cortex.
50048874	2	ChEMBL_34518 (CHEMBL648159)	Inhibitory constant was measured on alpha-2 adrenergic receptor /uptake using [3H] clonidine as radioligand in rat brain cortex
50036026	3	ChEMBL_30703 (CHEMBL644778)	Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as radioligand.
50036026	4	ChEMBL_29154 (CHEMBL639434)	Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.
50033817	2	ChEMBL_765942 (CHEMBL1827958)	Displacement of [125I]IABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting
50033817	3	ChEMBL_765945 (CHEMBL1827961)	Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting
50033817	4	ChEMBL_765946 (CHEMBL1827962)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by liquid scintillation counting
50033817	5	ChEMBL_765939 (CHEMBL1827955)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting
50033818	1	ChEMBL_766140 (CHEMBL1826107)	Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane
50033819	1	ChEMBL_766201 (CHEMBL1826221)	Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader
50033819	2	ChEMBL_766202 (CHEMBL1826222)	Inhibition of human TCPTP by high-throughput screening
50033819	3	ChEMBL_766203 (CHEMBL1826223)	Inhibition of human SHP1 by high-throughput screening
50033819	4	ChEMBL_766204 (CHEMBL1826224)	Inhibition of human SHP2 by high-throughput screening
50033819	5	ChEMBL_766205 (CHEMBL1826326)	Inhibition of human LAR catalytic domain 1 by high-throughput screening
50033820	1	ChEMBL_766803 (CHEMBL1827743)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assay
50033820	2	ChEMBL_766804 (CHEMBL1827744)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in human HEK293 cells by radioligand binding assay
50033821	1	ChEMBL_767297 (CHEMBL1825409)	Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 insect cells using p-tyramine substrate by Amplex Red MAO assay
50033822	1	ChEMBL_767530 (CHEMBL1825642)	Inhibition of CDK9 by [33P]gamma-ATP incorporation assay
50033823	1	ChEMBL_766424 (CHEMBL1826564)	Competitive inhibition of Helicobacter pylori DHQ2
50033823	2	ChEMBL_766423 (CHEMBL1826563)	Competitive inhibition of Mycobacterium tuberculosis DHQ2
50033824	1	ChEMBL_766432 (CHEMBL1826572)	Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assay
50048875	1	ChEMBL_208028 (CHEMBL814155)	Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells
50048875	2	ChEMBL_208025 (CHEMBL814153)	Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells
50033826	1	ChEMBL_766531 (CHEMBL1826877)	Inhibition of human ERG by electrophysiological assay
50033827	1	ChEMBL_766618 (CHEMBL1827184)	Inhibition of CYP2C9
50033827	2	ChEMBL_766551 (CHEMBL1827032)	Displacement of [125I]Iodoproxyfan from mouse brain cortex histamine H3 receptor after 60 mins
50033827	3	ChEMBL_766550 (CHEMBL1827031)	Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins
50033827	4	ChEMBL_766631 (CHEMBL1827197)	Inverse agonist activity at human histamine H3 receptor expressed in SK-N-MC cells
50033827	5	ChEMBL_766616 (CHEMBL1827182)	Inhibition of CYP2D6
50033827	6	ChEMBL_766553 (CHEMBL1827034)	Inhibition of CYP3A4
50033828	1	ChEMBL_766636 (CHEMBL1827202)	Antagonist activity at human S1P4 receptor expressed in EDG6-bla U2OS cells coexpressing human endothelial differentiation gene 6 linked to GAL4-VP16 assessed as beta-lactamase expression by FRET assay
50033828	2	ChEMBL_766639 (CHEMBL1827205)	Antagonist activity at S1P2 receptor
50033828	3	ChEMBL_766634 (CHEMBL1827200)	Antagonist activity at S1P1 receptor
50033828	4	ChEMBL_766635 (CHEMBL1827201)	Antagonist activity at S1P3 receptor
50033828	5	ChEMBL_766637 (CHEMBL1827203)	Antagonist activity at S1P5 receptor
50033829	1	ChEMBL_766718 (CHEMBL1827496)	Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting
50033829	3	ChEMBL_766720 (CHEMBL1827498)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting
50033829	4	ChEMBL_766717 (CHEMBL1827495)	Displacement of [3H]-CGP12177 from beta1-adrenergic receptor in rat heart membranes
50033830	2	ChEMBL_767030 (CHEMBL1828461)	Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr
50033830	4	ChEMBL_767031 (CHEMBL1828462)	Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr
50033831	1	ChEMBL_767113 (CHEMBL1826162)	Inhibition of human DHFR assessed as NADPH consumption for conversion of dihydrofolic acid to tetrahydrofolic acid after 6 mins every 5 sec by UV-Visible Spectrophotometer method
50033832	1	ChEMBL_767116 (CHEMBL1826165)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting
50033832	2	ChEMBL_767221 (CHEMBL1826467)	Inhibition of alpha-1A adrenergic receptor by NIMH PDSP
50033832	3	ChEMBL_767222 (CHEMBL1826468)	Inhibition of alpha-2A adrenergic receptor by NIMH PDSP
50033832	5	ChEMBL_767224 (CHEMBL1826470)	Inhibition of D1 dopamine receptor by NIMH PDSP
50033832	6	ChEMBL_767225 (CHEMBL1826471)	Inhibition of M2 muscarinic receptor by NIMH PDSP
50033832	7	ChEMBL_767226 (CHEMBL1826472)	Inhibition of M4 muscarinic receptor by NIMH PDSP
50033832	8	ChEMBL_767227 (CHEMBL1826473)	Inhibition of M5 muscarinic receptor by NIMH PDSP
50033832	9	ChEMBL_767228 (CHEMBL1826474)	Inhibition of NET transporter by NIMH PDSP
50033832	10	ChEMBL_767229 (CHEMBL1826475)	Inhibition of kappa opioid receptor by NIMH PDSP
50033834	1	ChEMBL_767332 (CHEMBL1825444)	Displacement of FITC labeled Bak BH3 peptide from Bcl-xL after 10 mins by Fluorescence Polarization assay
50033834	2	ChEMBL_767331 (CHEMBL1825443)	Displacement of FITC labeled Bak BH3 peptide from Mcl-1 after 2 mins by Fluorescence Polarization assay
50033834	3	ChEMBL_767333 (CHEMBL1825445)	Binding affinity to Bcl-xL by 2D- NOESY analysis
50033835	1	ChEMBL_767346 (CHEMBL1825458)	Inhibition of Aurora kinase A assessed as phosphorylation of Lats2 substrate at 0.017 to 30 nM by FRET assay
50033835	2	ChEMBL_767445 (CHEMBL1825557)	Inhibition of CYP3A4 using a fluorescent probe 7-benzyloxy-4(trifluoromethyl)-coumarin
50033835	3	ChEMBL_767446 (CHEMBL1825558)	Inhibition of CYP3A4 using a fluorescent probe 7-benzyloxyquinoline
50033835	4	ChEMBL_767447 (CHEMBL1825559)	Inhibition of CYP2C19
50033835	5	ChEMBL_767448 (CHEMBL1825560)	Inhibition of CYP2C9 using a fluorescent probe 7-methoxy-4-trifluoromethylcoumarin
50033835	6	ChEMBL_767449 (CHEMBL1825561)	Inhibition of CYP2D6 using a fluorescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4methylcoumarin
50033835	7	ChEMBL_767450 (CHEMBL1825562)	Inhibition of CYP1A2
50033836	1	ChEMBL_767544 (CHEMBL1825656)	Inhibition of CYP1A2
50033836	2	ChEMBL_767546 (CHEMBL1825658)	Inhibition of CYP2C9
50033836	3	ChEMBL_767549 (CHEMBL1825661)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate
50033836	4	ChEMBL_767548 (CHEMBL1825660)	Inhibition of CYP3A4 using DEF substrate
50033836	5	ChEMBL_767547 (CHEMBL1825659)	Inhibition of CYP2D6
50033836	6	ChEMBL_767545 (CHEMBL1825657)	Inhibition of CYP2C19
50033837	1	ChEMBL_766557 (CHEMBL1827038)	Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELFIA based time-resolved fluorimetry assay
50033838	1	ChEMBL_766645 (CHEMBL1827211)	Inhibition of human ERG
50033838	2	ChEMBL_766580 (CHEMBL1827061)	Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 2% fetal calf serum
50033838	3	ChEMBL_766581 (CHEMBL1827062)	Displacement of BODIPY-cyclopamine from Smo expressed in COS-1 cells after 4 to 6 hrs by Flow Cytometry analysis in presence of 20% normal human serum
50033839	1	ChEMBL_766654 (CHEMBL1827220)	Binding affinity to Aurora C kinase catalytic domain by competitive binding assay
50033839	3	ChEMBL_766652 (CHEMBL1827218)	Binding affinity to Aurora A kinase catalytic domain by competitive binding assay
50000085	13	ChEMBL_32392 (CHEMBL648028)	Compound was evaluated for the binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin as radioligand
50036031	10	ChEMBL_29421 (CHEMBL645212)	Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand
50036031	11	ChEMBL_29322 (CHEMBL642986)	Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine
50036031	7	ChEMBL_29321 (CHEMBL642309)	Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand
50036031	4	ChEMBL_27476 (CHEMBL642675)	Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine
50033840	1	ChEMBL_766669 (CHEMBL1827363)	Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay
50000154	10	ChEMBL_37533 (CHEMBL647376)	Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol
50033840	2	ChEMBL_766668 (CHEMBL1827362)	Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay
50033841	1	ChEMBL_766671 (CHEMBL1827365)	Displacement of [125I]PYY from human NPY Y2 receptor expressed endogenously in KAN-Ts cells by scintillation counting
50033842	1	ChEBML_766743	Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis
50048876	1	ChEMBL_222724 (CHEMBL845209)	Dissociation constant at guinea pig heart(atria force).
50048876	2	ChEMBL_139225 (CHEMBL745700)	Dissociation constant at muscarinic acetylcholine receptor M2 of guinea pig heart(atria rate).
50048876	3	ChEMBL_139224 (CHEMBL745699)	Dissociation constant at muscarinic acetylcholine receptor M2 guinea pig heart(atria force).
50048876	4	ChEMBL_138190 (CHEMBL747834)	Dissociation constant at muscarinic M3 receptors of guinea pig ileum.
50048876	5	ChEMBL_222729 (CHEMBL845214)	Dissociation constant at muscarinic M3 receptors of guinea pig bladder.
50048876	6	ChEMBL_138191 (CHEMBL747835)	Dissociation constant at muscarinic acetylcholine receptor M3 guinea pig bladder.
50048876	7	ChEMBL_138192 (CHEMBL747836)	Dissociation constant at muscarinic acetylcholine receptor M3 of guinea pig ileum.
50048876	8	ChEMBL_139223 (CHEMBL745698)	Dissociation constant at guinea pig heart(atria rate).
50036032	5	ChEMBL_154989 (CHEMBL765341)	Displacement of [3H]desmethoxy-verapamil from L-type calcium channel of bovine frontal cortex membranes
50000347	3	ChEMBL_157969 (CHEMBL767499)	Inhibitory activity against Prostaglandin G/H synthase (bovine seminal vesicles)
50000353	5	ChEMBL_29462 (CHEMBL642191)	Inhibition of [3H]CHA binding to Adenosine A1 receptor in whole rat brain membranes
50000353	4	ChEMBL_30725 (CHEMBL648804)	Inhibition of [3H]NECA binding to Adenosine A2 receptor in rat brain striatum
50033842	2	ChEBML_766757	Inhibition of CYP2D6
50033842	3	ChEBML_766758	Inhibition of CYP2C9
50033842	4	ChEBML_766759	Inhibition of CYP3A4
50033842	5	ChEBML_766760	Inhibition of human ERG
50048877	1	ChEMBL_155690 (CHEMBL766267)	Inhibition of bovine heart phosphodiesterase
50048877	2	ChEMBL_155689 (CHEMBL764359)	Inhibition of bovine heart phosphodiesterase
50036038	2	ChEMBL_195198 (CHEMBL798388)	Concentration required to inhibit HIV reverse transcriptase
50036040	4	ChEMBL_76062 (CHEMBL687668)	Concentration required to inhibit the activity of gastric H+/K+ ATPase
50033843	1	ChEMBL_766825 (CHEMBL1827858)	Inhibition of AP1 expressed in HEK293T cells coexpressing beta-lactamase pre-incubated 1 hr before TPA addition measured 18 hrs post TPA challenge by fluorimetric assay
50033844	1	ChEMBL_766830 (CHEMBL1827863)	Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after 2 hrs by autoradiography
50033844	2	ChEMBL_766831 (CHEMBL1827864)	Displacement of 125I-[LTT]-SRIF-28 from human sst4 receptor in CCL39 cells after 2 hrs by autoradiography
50033844	3	ChEMBL_766832 (CHEMBL1827865)	Displacement of 125I-[LTT]-SRIF-28 from human sst5 receptor in HEK293 cells after 2 hrs by autoradiography
50033844	4	ChEMBL_766834 (CHEMBL1827867)	Agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by luciferase reporter gene assay
50033844	5	ChEMBL_766836 (CHEMBL1827869)	Partial agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by luciferase reporter gene assay
50033844	6	ChEMBL_766828 (CHEMBL1827861)	Displacement of 125I-[LTT]-SRIF-28 from human sst1 receptor in CHO cells after 2 hrs by autoradiography
50033844	7	ChEMBL_766829 (CHEMBL1827862)	Displacement of 125I-[LTT]-SRIF-28 from human sst2 receptor in CCL39 cells after 2 hrs by autoradiography
50033845	1	ChEMBL_767041 (CHEMBL1828472)	Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay
50033845	2	ChEMBL_767042 (CHEMBL1828473)	Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay
50033845	3	ChEMBL_767044 (CHEMBL1828475)	Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay
50033845	4	ChEMBL_767045 (CHEMBL1828476)	Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay
50033846	1	ChEMBL_767052 (CHEMBL1828483)	Inhibition of human thrombin using chromogenic Sar-Pro-Arg p-nitroanilide dihydrochloride as substrate pre-incubated for 10 mins by spectrophotometry
50033847	1	ChEMBL_767157 (CHEMBL1826308)	Inhibition of Trypanosoma cruzi TryR using trypanothione as substrate preincubated for 10 mins
50033848	1	ChEMBL_767162 (CHEMBL1826313)	Inhibition of rat nNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay
50033848	2	ChEMBL_767161 (CHEMBL1826312)	Inhibition of bovine eNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay
50033848	3	ChEMBL_767159 (CHEMBL1826310)	Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction in formation of nitric oxide by hemoglobin capture assay
50000208	5	ChEBML_27631	Binding affinity for adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes
50000208	4	ChEBML_27630	Binding affinity towards Adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide in guinea pig forebrain membranes
50036044	5	ChEBML_30704	Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand
50036044	4	ChEBML_27478	Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA
50033849	2	ChEMBL_767240 (CHEMBL1825352)	Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay
50033849	4	ChEMBL_767247 (CHEMBL1825359)	Inhibition of RON in mouse 3T3 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	5	ChEMBL_767249 (CHEMBL1825361)	Inhibition of AXL in human HEK293 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	6	ChEMBL_767252 (CHEMBL1825364)	Inhibition of TIE2 in mouse 3T3-E cells assessed growth factor-induced autophosphorylation by sandwich ELISA method
50033849	7	ChEMBL_767254 (CHEMBL1825366)	Inhibition of TIE2
50033849	8	ChEMBL_767348 (CHEMBL1825460)	Inhibition of TRKB
50033849	9	ChEMBL_767349 (CHEMBL1825461)	Inhibition of ABL in mouse BaF3-BCL cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	10	ChEMBL_767351 (CHEMBL1825463)	Inhibition of ABL
50033849	13	ChEMBL_767355 (CHEMBL1825467)	Inhibition of LCK in human Jurkat cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method
50033849	14	ChEMBL_767238 (CHEMBL1825350)	Inhibition of human recombinant c-MET kinase in A549 cells assessed as inhibition of HGF-induced cell growth
50033849	15	ChEMBL_767237 (CHEMBL1826483)	Inhibition of human recombinant c-MET kinase in GTL-16 cells assessed as inhibition of HGF-induced proliferation by sandwich ELISA method
50033849	16	ChEMBL_767361 (CHEMBL1825473)	Inhibition of PDGFRbeta by cellular potency assay
50033849	17	ChEMBL_767360 (CHEMBL1825472)	Inhibition of VEGFR2 by cellular potency assay
50033850	1	ChEMBL_767362 (CHEMBL1825474)	Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay
50033850	2	ChEMBL_767363 (CHEMBL1825475)	Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA
50033850	3	ChEMBL_767469 (CHEMBL1825581)	Inhibition of human c-RAF
50033851	1	ChEMBL_767473 (CHEMBL1825585)	Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method
50033851	2	ChEMBL_767474 (CHEMBL1825586)	Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method
50033851	3	ChEMBL_767475 (CHEMBL1825587)	Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline by radiometric method
50033852	1	ChEMBL_767484 (CHEMBL1825596)	Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay
50033852	2	ChEMBL_767486 (CHEMBL1825598)	Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay
50033852	3	ChEMBL_767487 (CHEMBL1825599)	Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay
50033852	4	ChEMBL_767570 (CHEMBL1825682)	Inhibition of recombinant p38alpha Thr69/71 of ATF-2 as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay
50033852	5	ChEMBL_767571 (CHEMBL1825683)	Inhibition of recombinant ERK2 using Ser383 of Elk-1 as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay
50033853	1	ChEMBL_767683 (CHEMBL1825795)	Displacement of biotin-RPKRPTTLNLF from GST tagged JNK1 using ATF2 substrate by dissociation enhanced lanthanide fluoro-immuno assay
50033853	2	ChEMBL_767684 (CHEMBL1825796)	Inhibition of JNK1 using ATF2 substrate by TR-FRET assay
50033853	3	ChEMBL_766265 (CHEMBL1826507)	Competitive inhibition of JNK1 using ATF2 substrate by Lineweaver-Burk analysis
50033853	4	ChEMBL_766266 (CHEMBL1826508)	Competitive inhibition of JNK1 using ATP by Lineweaver-Burk analysis
50033853	5	ChEMBL_767686 (CHEMBL1825798)	Inhibition of TNF-alpha-induced c-JUN phosphorylation in mouse B16-F10 cells by TR-FRET assay
50033853	6	ChEMBL_767687 (CHEMBL1825799)	Inhibition of anisomycin-induced c-JUN phosphorylation in human HEK293T cells by TR-FRET assay
50033854	1	ChEMBL_766351 (CHEMBL1826377)	Inhibition of fire fly luciferase
50033855	1	ChEMBL_766478 (CHEMBL1826743)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	2	ChEMBL_766479 (CHEMBL1826744)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	3	ChEMBL_766480 (CHEMBL1826745)	Inhibition of human carbonic anhydrase 3 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	4	ChEMBL_766481 (CHEMBL1826746)	Inhibition of human carbonic anhydrase 4 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	5	ChEMBL_766482 (CHEMBL1826747)	Inhibition of human carbonic anhydrase 5A preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	6	ChEMBL_766483 (CHEMBL1826748)	Inhibition of human carbonic anhydrase 5B preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	7	ChEMBL_766484 (CHEMBL1826749)	Inhibition of human carbonic anhydrase 6 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	8	ChEMBL_766485 (CHEMBL1826750)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	9	ChEMBL_766486 (CHEMBL1826751)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	10	ChEMBL_766487 (CHEMBL1826752)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	11	ChEMBL_766490 (CHEMBL1826755)	Inhibition of Candida albicans carbonic anhydrase preincubated for 15 mins at pH 8.3 by stopped flow CO2 hydration method
50033855	12	ChEMBL_766491 (CHEMBL1826756)	Inhibition of human carbonic anhydrase 13 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033855	13	ChEMBL_766492 (CHEMBL1826757)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins at pH 7.5 by stopped flow CO2 hydration method
50033856	1	ChEMBL_766795 (CHEMBL1827735)	Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells
50033856	2	ChEMBL_766793 (CHEMBL1827733)	Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells
50033856	3	ChEMBL_766794 (CHEMBL1827734)	Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells
50033856	4	ChEMBL_766854 (CHEMBL1827983)	Inhibition of human recombinant CYP2D6 by luceferin-based assay
50033856	5	ChEMBL_766855 (CHEMBL1827984)	Inhibition of human recombinant CYP3A4 by luceferin-based assay
50033856	6	ChEMBL_766845 (CHEMBL1827878)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells
50033856	7	ChEMBL_766852 (CHEMBL1827885)	Inhibition of human recombinant CYP1A2 by luceferin-based assay
50033856	8	ChEMBL_766853 (CHEMBL1827886)	Inhibition of human recombinant CYP2C9 by luceferin-based assay
50033856	9	ChEMBL_766791 (CHEMBL1827731)	Binding affinity to SERT
50033856	10	ChEMBL_766792 (CHEMBL1827732)	Binding affinity to 5-HT2A
50033856	11	ChEMBL_766796 (CHEMBL1827736)	Inhibition of 5HT1A receptor by competition binding assay
50033856	12	ChEMBL_766797 (CHEMBL1827737)	Inhibition of 5HT6 receptor by competition binding assay
50033856	13	ChEMBL_766798 (CHEMBL1827738)	Inhibition of 5HT7 receptor by competition binding assay
50033856	14	ChEMBL_766799 (CHEMBL1827739)	Inhibition of dopamine D2 receptor by competition binding assay
50033856	15	ChEMBL_766800 (CHEMBL1827740)	Inhibition of dopamine D3 receptor by competition binding assay
50033856	16	ChEMBL_766801 (CHEMBL1827741)	inhibition of dopamine D4 receptor by competition binding assay
50033857	1	ChEMBL_766955 (CHEMBL1828180)	Inhibition of Raf-1 activity assessed as MEK1/2 phosphorylation
50033857	3	ChEMBL_766956 (CHEMBL1828181)	Inhibition of PKCb2 activity by fluorescence polarization assay
50033857	5	ChEMBL_766959 (CHEMBL1828184)	Inhibition of Aurora-A activity by fluorescence polarization assay
50033857	6	ChEMBL_766960 (CHEMBL1828185)	Inhibition of AKT1 activity by fluorescence polarization assay
50033857	7	ChEMBL_766961 (CHEMBL1828186)	Inhibition of HER2 activity by TR-FRET assay
50033857	8	ChEMBL_766962 (CHEMBL1828187)	Inhibition of EGFR activity by TR-FRET assay
50033857	9	ChEMBL_766963 (CHEMBL1828188)	Inhibition of IGF1R activity by TR-FRET assay
50033857	10	ChEMBL_766964 (CHEMBL1828189)	Inhibition of ABL activity by TR-FRET assay
50033857	11	ChEMBL_766965 (CHEMBL1828190)	Inhibition of FGFR2 activity by TR-FRET assay
50033857	12	ChEMBL_766966 (CHEMBL1828293)	Inhibition of SRC activity by TR-FRET assay
50033857	14	ChEMBL_766968 (CHEMBL1828295)	Inhibition of MET activity by TR-FRET assay
50033857	15	ChEMBL_766969 (CHEMBL1828296)	Inhibition of KIT activity by TR-FRET assay
50033857	16	ChEMBL_766971 (CHEMBL1828298)	Inhibition of KDR activity by TR-FRET assay
50033858	1	ChEMBL_766975 (CHEMBL1828302)	Inhibition of recombinant human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50033858	2	ChEMBL_766976 (CHEMBL1828303)	Inhibition of recombinant human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50033858	3	ChEMBL_766977 (CHEMBL1828304)	Inhibition of recombinant human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50033859	1	ChEMBL_767063 (CHEMBL1828494)	Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells
50033859	2	ChEMBL_767064 (CHEMBL1828495)	Binding affinity to alpha1 nAchR expressed in human TE671 cells
50033860	1	ChEMBL_767067 (CHEMBL1826116)	Inhibition of Mycobacterium tuberculosis DXR assessed as reduction of 1-deoxy-D-xylulose 5-phosphate into 2-C-methyl-D-erythritol-4-phosphate measured for every 5 secs upto 500 secs by spectrophotometry analysis
50048878	1	ChEBML_41451	Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.
50048878	2	ChEMBL_223053 (CHEMBL841524)	Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release
50048878	3	ChEBML_223053	Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release
50033862	1	ChEMBL_767175 (CHEMBL1826421)	Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate solution substrate by ELISA
50033862	2	ChEMBL_767176 (CHEMBL1826422)	Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate solution substrate by double reciprocal Lineweaver-Burk plot and dixon plot analysis
50033863	1	ChEMBL_767266 (CHEMBL1825378)	Inhibition of AKT1
50033863	2	ChEMBL_767265 (CHEMBL1825377)	Inhibition of CDK2
50033863	3	ChEMBL_767264 (CHEMBL1825376)	Inhibition of AKT1-mediated PRAS40 phosphorylation in human U87MG cells after 1 hr in presence of 5% FBS by ELISA assay
50033864	1	ChEMBL_767495 (CHEMBL1825607)	Inhibition of cathepsin D by FRET assay
50033864	3	ChEMBL_767494 (CHEMBL1825606)	Inhibition of BACE2 by FRET assay
50035984	7	ChEBML_152964	Inhibition of PMA and [Ca2+] induced 32P incorporation into histones by partially purified rat brain Protein kinase C
50035984	9	ChEBML_162245	Inhibition of PMA and [Ca2+] induced 32P incorporation into histones by partially purified rat brain Protein kinase C
50035984	12	ChEMBL_162363 (CHEMBL769170)	Effect of Phosphatidylserine on inhibition of Protein kinase C alpha
50048879	2	ChEMBL_46144 (CHEMBL660017)	Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes
50048879	1	ChEBML_46144	Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes
50035987	2	ChEBML_62000	Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to Dopamine transporter in rat striatal membranes.
50035988	2	ChEBML_61994	Inhibition of [3H]3-beta-(p-fluorophenyl)tropane-2beta-carboxylic acid methyl ester [3H]7a binding to Dopamine transporter of rat striatal membranes
50035989	11	ChEMBL_211096 (CHEMBL815439)	Inhibition of the 3 nM VP stimulation of phospholipase-C in cultured WRK cells was used as a V1-mediated assay
50048880	2	ChEMBL_156464 (CHEMBL764842)	Inhibition of canine cardiac Phosphodiesterase 3
50033865	1	ChEMBL_767618 (CHEMBL1825730)	Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorometry
50033865	2	ChEMBL_767691 (CHEMBL1825803)	Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins followed by 30 mins incubation in mouse C57BL/6 plasma by spectrofluorometry
50033865	3	ChEMBL_767619 (CHEMBL1825731)	Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins followed by 30 mins incubation in human plasma by spectrofluorometry
50033866	1	ChEMBL_767695 (CHEMBL1825807)	Antagonist activity at human SMO expressed in HEPM cells assessed as reduction of GLI expression after 24 hrs by Quantigene assay
50033866	2	ChEMBL_767699 (CHEMBL1825811)	Antagonist activity at mouse SMO expressed in NIH/3T3 cells transfected with Gli-dependent luciferase-reporter after 15 hrs by luciferase reporter gene assay using luminometer
50033867	1	ChEMBL_767700 (CHEMBL1825812)	Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins after measured after 30 mins by fluorescence assay
50033867	2	ChEMBL_767701 (CHEMBL1825813)	Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins after measured after 30 mins by fluorescence assay in presence of human plasma
50033867	3	ChEMBL_767702 (CHEMBL1825814)	Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins after measured after 30 mins by fluorescence assay in presence of C57BL/6 mouse plasma
50033868	1	ChEMBL_767755 (CHEMBL1825867)	Inhibition of human recombinant histidine-tagged BCATc expressed in Escherichia coli BL21 (DE3) after 50 mins using [13C]-L-leucine as substrate by NMR spectroscopy analysis
50033869	2	ChEMBL_766294 (CHEMBL1826226)	Inhibition of bovine kidney cytosolic leucine aminopeptidase using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis
50033869	3	ChEMBL_766295 (CHEMBL1826227)	Inhibition of Aeromonas proteolytica aminopeptidase using L-leucine-p-nitroanilide as substrate after 30 mins by Dixon plot analysis
50048880	1	ChEBML_156464	Inhibition of canine cardiac Phosphodiesterase 3
50048881	2	ChEMBL_145872 (CHEMBL754077)	In vitro inhibitory activity against opioid receptor in Guinea pig ileum
50033870	1	ChEMBL_766298 (CHEMBL1826230)	Inhibition of iNOS in mouse RAW264.7 cells assessed as anti-inflammatory activity by measuring maximum inhibition of LPS-induced nitric oxide production after 24 hrs
50033871	1	ChEMBL_766306 (CHEMBL1826238)	Displacement of SRC2-3 peptide from human AR ligand binding site expressed in Escherichia coli BL21 by AF2 FP assay
50033871	2	ChEMBL_766307 (CHEMBL1826239)	Inhibition of human AR AF2 site expressed in human LNCap cells coexpressing eGFP -ARR2PB assessed as inhibition of transcriptional activity
50048881	1	ChEBML_145872	In vitro inhibitory activity against opioid receptor in Guinea pig ileum
50033873	1	ChEMBL_767871 (CHEMBL1825983)	Inhibition of CYP1A2
50033873	2	ChEMBL_767872 (CHEMBL1825984)	Inhibition of CYP2C9
50033873	3	ChEMBL_767873 (CHEMBL1825985)	Inhibition of CYP2C19
50033873	4	ChEMBL_767874 (CHEMBL1825986)	Inhibition of CYP2D6
50033873	5	ChEMBL_767875 (CHEMBL1825987)	Inhibition of CYP3A4
50035993	3	ChEMBL_161419 (CHEMBL766687)	Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction
50048882	1	ChEBML_75879	The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.
50036041	8	ChEMBL_79800 (CHEMBL696060)	Inhibitory concentration against HIV-1 protease in the absence of DMSO
50036041	19	ChEMBL_159124 (CHEMBL769501)	Inhibition of HIV-2 protease in 5%DMSO
50036041	14	ChEMBL_160743 (CHEMBL769057)	Inhibitory concentration against HIV-1 protease
50036041	20	ChEMBL_159977 (CHEMBL768124)	Binding affinity against HIV-1 protease
50033873	6	ChEMBL_767865 (CHEMBL1825977)	Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method
50048883	3	ChEMBL_138382 (CHEMBL749217)	Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.
50048883	4	ChEMBL_139466 (CHEMBL748174)	Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.
50033873	9	ChEMBL_767896 (CHEMBL1826008)	Inhibition of human ERG channel by patch clamp assay
50033874	2	ChEMBL_767962 (CHEMBL1825291)	Uncompetitive inhibition of human beta-glucosidase by Michaelis-Menten kinetics analysis
50033874	3	ChEMBL_767961 (CHEMBL1825290)	Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins
50033875	1	ChEMBL_767967 (CHEMBL1825296)	Agonist activity at human dopamine D1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 15 mins
50033876	1	ChEMBL_767976 (CHEMBL1825305)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in human U87 cells after 1 hr by scintillation counting
50033876	2	ChEMBL_767977 (CHEMBL1825306)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in human U87 cells after 1 hr by scintillation counting
50033876	3	ChEMBL_767974 (CHEMBL1825303)	Binding affinity to CB1 receptor
50033876	4	ChEMBL_767975 (CHEMBL1825304)	Binding affinity to CB2 receptor
50048883	2	ChEBML_139466	Inhibition of [3H]N-methylscopolamine binding to muscarinic acetylcholine receptor of rat cerebral cortex.
50048883	1	ChEBML_138382	Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.
50033877	1	ChEMBL_768005 (CHEMBL1825334)	Displacement of [3H]-CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cells membrane incubated for 90 mins
50033877	2	ChEMBL_768006 (CHEMBL1825335)	Displacement of [3H]-CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cells membrane incubated for 90 mins
50033877	6	ChEMBL_768011 (CHEMBL1825340)	Agonist activity at rat recombinant TRPV2 receptor expressed in HEK293 cells assessed as stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	8	ChEMBL_768014 (CHEMBL1825343)	Agonist activity at rat recombinant TRPA1 receptor expressed in HEK293 cells assessed as stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50033877	9	ChEMBL_768016 (CHEMBL1825345)	Antagonist activity at rat recombinant TRPM8 receptor expressed in HEK293 cells assessed as inhibition of 0.25 uM icilin-induced stimulation of intracellular calcium level using Fluo4-AM dye based fluorimetric assay
50000659	2	ChEBML_196872	Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.
50033878	1	ChEMBL_768436 (CHEMBL1832155)	Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced platelet swelling by spectrophotometric analysis
50000213	9	ChEBML_1898	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [125I]DOI as radioligand
50000213	8	ChEBML_1899	Compound was evaluated for binding affinity towards 5-hydroxytryptamine 2 receptor in rat anterior cortex using [3H]ketanserin as radioligand
50036048	4	ChEBML_158130	Evaluated in vitro for its inhibitory activity against Prostaglandin G/H synthase
50033879	9	ChEMBL_768495 (CHEMBL1832318)	Inhibition of PRMT3 assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033879	10	ChEMBL_768576 (CHEMBL1832595)	Inhibition of SETD7 assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033879	11	ChEMBL_768578 (CHEMBL1832597)	Inhibition of SUV39H2 assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033879	12	ChEMBL_768577 (CHEMBL1832596)	Inhibition of SETD8 assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay
50033881	1	ChEMBL_768586 (CHEMBL1832605)	Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting
50036049	5	ChEBML_122633	Compound was evaluated for the inhibition of deamination of dopamine (DA) by Monoamine oxidase at 5 x 10e-4 M
50036049	6	ChEBML_122631	Compound was evaluated for the inhibition of deamination of dopamine (DA) by MAO at 5 x 10e-4 M
50048884	1	ChEMBL_100017 (CHEMBL709254)	Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay
50048884	2	ChEBML_100017	Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay
50000099	8	ChEBML_211248	Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney
50000099	6	ChEBML_211078	Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 in rat liver
50033883	1	ChEMBL_768735 (CHEMBL1831608)	Inhibition of human ICMT by vapor diffusion assay
50033884	1	ChEMBL_768740 (CHEMBL1831613)	Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with luciferase and FAST-2 gene expression vector A3-LUX after 16 hrs by luciferase reporter gene assay
50033885	1	ChEMBL_768744 (CHEMBL1831617)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells after 1 hr
50033885	2	ChEMBL_768743 (CHEMBL1831616)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of MCP1-induced chemotaxis after 3 hrs
50033885	3	ChEMBL_768742 (CHEMBL1831615)	Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 2 hrs by microplate scintillation and luminescence counting
50033886	1	ChEMBL_769060 (CHEMBL1832523)	Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay
50000099	7	ChEBML_214264	Compound was evaluated for half-maximal inhibition of binding of [3H]vasopressin toVasopressin V1 receptor in rat liver
50033886	3	ChEMBL_769062 (CHEMBL1832525)	Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay
50033886	4	ChEMBL_769063 (CHEMBL1832526)	Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay
50033886	5	ChEMBL_769064 (CHEMBL1832527)	Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay
50033886	6	ChEMBL_769065 (CHEMBL1832528)	Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay
50033886	7	ChEMBL_769066 (CHEMBL1832529)	Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay
50033886	8	ChEMBL_769067 (CHEMBL1832530)	Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay
50033886	9	ChEMBL_769052 (CHEMBL1832515)	Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay
50033886	13	ChEMBL_769159 (CHEMBL1832818)	Inhibition of CYP2C9 in human liver microsomes by fluorescence assay
50033886	14	ChEMBL_769160 (CHEMBL1832819)	Inhibition of CYP2C19 in human liver microsomes by fluorescence assay
50033886	15	ChEMBL_769157 (CHEMBL1832816)	Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay
50033886	16	ChEMBL_769156 (CHEMBL1832815)	Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay
50033886	17	ChEMBL_769058 (CHEMBL1832521)	Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay
50033886	18	ChEMBL_769059 (CHEMBL1832522)	Competitive inhibition of HDAC3 using KI-104 as substrate by fluorescence assay
50033889	1	ChEMBL_768783 (CHEMBL1831765)	Positive allosteric modulation of mGlu2 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	7	ChEMBL_768784 (CHEMBL1831766)	Positive allosteric modulation of mGlu3 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033889	8	ChEMBL_768790 (CHEMBL1831772)	Negative allosteric modulation of mGlu5 receptor
50033889	9	ChEMBL_768791 (CHEMBL1831773)	Negative allosteric modulation of mGlu7 receptor
50033889	10	ChEMBL_768794 (CHEMBL1831776)	Inhibition of human ERG
50033889	11	ChEMBL_768726 (CHEMBL1831599)	Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay
50033889	12	ChEMBL_768782 (CHEMBL1831764)	Positive allosteric modulation of mGlu1 receptor assessed as potentiation of glutamate-induced calcium mobilization
50033890	1	ChEMBL_769077 (CHEMBL1832634)	Inhibition of CFTR
50033890	2	ChEMBL_769084 (CHEMBL1832641)	Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 45 mins by fluorescence plate-reader analysis
50033890	3	ChEMBL_769085 (CHEMBL1832642)	Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrophysiology assay
50033891	1	ChEMBL_769089 (CHEMBL1832646)	Inhibition of human IKK-beta using TMB as substrate after 30 mins by spectrophotometry
50033892	1	ChEMBL_769200 (CHEMBL1832940)	Inhibition of HDAC6 using Boc-Lys (acetyl)-AMC as substrate after 30 mins by fluorescence assay
50033892	2	ChEMBL_769201 (CHEMBL1832941)	Inhibition of HDAC8 using Boc-Lys (acetyl)-AMC as substrate after 30 mins by fluorescence assay
50033893	1	ChEMBL_768828 (CHEMBL1831904)	Binding affinity to MR
50033893	2	ChEMBL_768826 (CHEMBL1831808)	Binding affinity to FXR
50033893	3	ChEMBL_768825 (CHEMBL1831807)	Inhibition of human ERG
50033893	4	ChEMBL_768824 (CHEMBL1831806)	Inhibition of CYP2C9
50033893	5	ChEMBL_768823 (CHEMBL1831805)	Inhibition of CYP2D6
50033893	6	ChEMBL_768821 (CHEMBL1831803)	Inhibition of 3 beta-HSD2
50033893	7	ChEMBL_768819 (CHEMBL1831801)	Inhibition of human 11 beta-HSD2 expressed in CHO cells assessed as conversion of [3H]cortisol to [3H]cortisone after 1 hr by HPLC
50033893	8	ChEMBL_768817 (CHEMBL1831799)	Inhibition of human CYP3A4 assessed as rate of [14C]-formaldehyde/formic acid production by liquid scintillation counting
50033893	9	ChEMBL_768816 (CHEMBL1831798)	Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]-cortisone to [3H]-cortisol after 1 hr by scintillation proximity assay in presence of human plasma
50033893	11	ChEMBL_768814 (CHEMBL1831796)	Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity assay
50033893	12	ChEMBL_769042 (CHEMBL1832505)	Inhibition of mouse 11 beta-HSD1
50033893	14	ChEMBL_768827 (CHEMBL1831809)	Binding affinity to GR
50033894	1	ChEMBL_769099 (CHEMBL1832656)	Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay
50033894	2	ChEMBL_769098 (CHEMBL1832655)	Inhibition of STAT3 in mouse NIH3T3/vSrc nuclear extract assessed as disruption of the Stat3-DNA complex pre-incubated for 30 mins by EMSA analysis
50033894	3	ChEMBL_769115 (CHEMBL1832672)	Inhibition of mouse STAT3 SH2 domain using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 mins by fluorescence polarisation assay
50033894	4	ChEMBL_769117 (CHEMBL1832674)	Inhibition of mouse STAT1 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 mins by fluorescence polarisation assay
50033895	1	ChEMBL_768149 (CHEMBL1833187)	Inhibition of human ERG
50033895	2	ChEMBL_768152 (CHEMBL1833190)	Displacement of [125I]-S36057 from rat MCH1 receptor
50033896	1	ChEMBL_768754 (CHEMBL1831627)	Inhibition of His-tagged EGFR expressed in insect Sf9 cells after 1 hr by time-resolved fluorimetric analysis
50033897	1	ChEMBL_768900 (CHEMBL1832067)	Inhibition of human ILK activity assessed myelin basic protein phosphorylation by radiometric kinase assay in the presence of [gamma 32P]ATP
50000101	17	ChEMBL_147173 (CHEMBL754472)	Inhibition of [3H]- ]DSLET binding to delta receptor from rat brain membrane
50000101	18	ChEMBL_149135 (CHEMBL759226)	Inhibition of [3H]- ]DAMGO binding to mu receptor from rat brain membrane
50000103	6	ChEBML_217185	Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle
50000103	7	ChEBML_216507	Inhibitory activity against c-AMP phosphodiesterase in guinea pig tracheal muscle.
50000103	5	ChEBML_29285	Affinity against adenosine A2 receptor in brain membranes by displacement of [3H]CPX
50033899	2	ChEMBL_768070 (CHEMBL1833026)	Binding affinity to human androgen receptor
50033900	1	ChEMBL_769532 (CHEMBL1833279)	Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting
50033900	2	ChEMBL_769540 (CHEMBL1833287)	Inhibition of CYP1A2 in human liver microsomes
50033900	3	ChEMBL_769541 (CHEMBL1833288)	Inhibition of CYP3A4 in human liver microsomes
50033900	4	ChEMBL_769542 (CHEMBL1833289)	Inhibition of CYP2C9 in human liver microsomes
50033900	5	ChEMBL_769611 (CHEMBL1833544)	Inhibition of CYP2C19 in human liver microsomes
50033900	6	ChEMBL_769612 (CHEMBL1833545)	Inhibition of CYP2D6 in human liver microsomes
50033900	7	ChEMBL_769613 (CHEMBL1833546)	Inhibition of CYP26 in human liver microsomes
50033901	1	ChEMBL_770208 (CHEMBL1832998)	Inhibition of BAZ2B
50033901	2	ChEMBL_770209 (CHEMBL1832999)	Inhibition of CREBBP
50033901	3	ChEMBL_770210 (CHEMBL1833000)	Inhibition of first bromodomain of BRD2
50033901	4	ChEMBL_770211 (CHEMBL1833001)	Inhibition of first bromodomain of BRD4
50033901	5	ChEMBL_770205 (CHEMBL1832995)	Displacement of H4Ac4 peptide from first bromodomain of human BRD2 by peptide displacement assay
50033901	6	ChEMBL_770203 (CHEMBL1832993)	Displacement of H3K56Ac from human CREBBP by peptide displacement assay
50033901	7	ChEMBL_770206 (CHEMBL1832996)	Displacement of H4Ac4 peptide from first bromodomain of human BRD4 by peptide displacement assay
50033902	1	ChEMBL_769544 (CHEMBL1833291)	Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry
50036062	14	ChEBML_30558	Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680
50036062	15	ChEBML_30557	Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680
50036062	12	ChEBML_31037	Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680
50048885	1	ChEBML_212371	Decylation rate constant against trypsin
50048885	2	ChEBML_213149	Decylation rate constant against Urokinase-type plasminogen activator
50048886	1	ChEBML_177422	Inhibition of veratridine-stimulated [14C]- guanidine influx into rat cortical slice
50000265	11	ChEMBL_213302 (CHEMBL814357)	Compound was tested for the rate constant of deacylation against the enzyme Urokinase-type plasminogen activator
50000265	7	ChEMBL_208714 (CHEMBL808495)	Compound was tested for the rate constant of deacylation against thrombin
50000265	9	ChEMBL_155403 (CHEMBL766105)	Compound was tested for the rate constant of deacylation against Urokinase-type plasminogen activator
50000265	13	ChEMBL_213304 (CHEMBL814359)	Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator
50000265	12	ChEMBL_212511 (CHEMBL817576)	Compound was tested for its binding affinity against the enzyme trypsin
50036066	7	ChEBML_129728	Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference.
50036066	6	ChEBML_129727	Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference
50036067	8	ChEBML_2125	The compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2 receptor
50036067	7	ChEBML_2126	In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors
50033904	1	ChEMBL_769810 (CHEMBL1831674)	Antagonist activity at mouse prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol monophosphate after 1 hr by time-resolved fluorescence assay
50033904	2	ChEMBL_769811 (CHEMBL1831675)	Displacement of [3H]SQ-29548 from human prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay
50033904	3	ChEMBL_769881 (CHEMBL1831974)	Displacement of [3H]SQ-29548 from mouse prostanoid TP receptor expressed in QBI-HEK 293A cells after 2 hrs by scintillation proximity assay
50033904	4	ChEMBL_769809 (CHEMBL1831673)	Antagonist activity at human prostanoid TP receptor expressed in QBI-HEK 293A cells assessed as inhibition of 1-BOP-induced increase in inositol monophosphate after 1 hr by time-resolved fluorescence method
50033905	1	ChEMBL_769902 (CHEMBL1831995)	Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNF-alpha-induced NF-kB activation by luciferase reporter gene assay
50033905	2	ChEMBL_769969 (CHEMBL1832243)	Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate
50033906	1	ChEMBL_770074 (CHEMBL1832554)	Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting
50033907	2	ChEMBL_770288 (CHEMBL1833597)	Inhibition of recombinant human 5-Lipoxygenase expressed in Escherichia coli lysate after 10 mins by HPLC analysis
50033907	4	ChEMBL_770334 (CHEMBL1833643)	Inhibition of COX2-mediated 6-keto PGF1alpha production in IL1-beta stimulated human A549 cells after 10 mins by EIA
50033907	5	ChEMBL_770339 (CHEMBL1833648)	Inhibition of 12-Lipoxygenase-mediated 12-HETE in human neutrophil after 15 mins by HPLC analysis
50033907	6	ChEMBL_770340 (CHEMBL1833649)	Inhibition of 15-Lipoxygenase-mediated 15-HETE in human neutrophil after 15 mins by HPLC analysis
50033908	1	ChEMBL_770412 (CHEMBL1833721)	Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50033908	2	ChEMBL_770411 (CHEMBL1833720)	Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50033909	1	ChEMBL_769283 (CHEMBL1833210)	Inhibition of human PDE4B1 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay
50033909	2	ChEMBL_769284 (CHEMBL1833211)	Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay
50033909	3	ChEMBL_769285 (CHEMBL1833212)	Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay
50033910	1	ChEMBL_769477 (CHEMBL1831417)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine after 15 mins by microplate fluorescence assay
50033910	2	ChEMBL_769479 (CHEMBL1833115)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine after 15 mins by microplate fluorescence assay
50033911	1	ChEMBL_769585 (CHEMBL1833422)	Inhibition of HMG-CoA reductase using HMG-CoA as substrate by spectrophotometry in presence of NADPH
50033912	1	ChEMBL_769822 (CHEMBL1831816)	Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhibition of [3H]chloroquine uptake after 1 to 2 hrs
50033913	1	ChEMBL_769921 (CHEMBL1832105)	Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescence assay
50033913	2	ChEMBL_769922 (CHEMBL1832106)	Inhibition of human DAAO
50033913	3	ChEMBL_769923 (CHEMBL1832107)	Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysis
50033913	4	ChEMBL_769924 (CHEMBL1832108)	Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assay
50033913	5	ChEMBL_769925 (CHEMBL1832109)	Binding affinity to human recombinant DAAO by steady state study scintillation proximity assay
50033914	1	ChEMBL_770225 (CHEMBL1833015)	Activation of CB1 receptor in Wistar rat prelimbic prefrontal cortex assessed as reduction of field excitatory postsynaptic potential amplitude after 20 mins
50033915	1	ChEMBL_770239 (CHEMBL1831689)	Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay
50033916	1	ChEMBL_770426 (CHEMBL1833735)	Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay
50033916	2	ChEMBL_770430 (CHEMBL1833739)	Inhibition of human recombinant CYP1A2
50033916	3	ChEMBL_770431 (CHEMBL1833740)	Inhibition of human recombinant CYP2C9
50033916	4	ChEMBL_770432 (CHEMBL1833741)	Inhibition of human recombinant CYP2D6
50033916	5	ChEMBL_770433 (CHEMBL1833742)	Inhibition of human recombinant CYP3A4
50033916	6	ChEMBL_770434 (CHEMBL1833743)	Inhibition of human recombinant GST-MKLP1 after 20 mins by malachite green assay
50033916	7	ChEMBL_770435 (CHEMBL1833744)	Inhibition of human GST-conventional kinesin ATPase activity after 20 mins by malachite green assay
50033916	8	ChEMBL_769413 (CHEMBL1833510)	Inhibition of human recombinant CYP2C19
50033917	1	ChEMBL_769425 (CHEMBL1833522)	Inhibition of human recombinant MAO-A assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins
50033917	2	ChEMBL_769426 (CHEMBL1833523)	Inhibition of human recombinant MAO-B assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins
50033918	1	ChEMBL_769360 (CHEMBL1833366)	Displacement of (-)-[3H]pentazocine from sigma 1 receptor in rat brain membrane after 120 mins
50033918	2	ChEMBL_769363 (CHEMBL1833369)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells
50033918	3	ChEMBL_769364 (CHEMBL1833370)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells
50033918	4	ChEMBL_769365 (CHEMBL1833371)	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells
50033918	6	ChEMBL_769367 (CHEMBL1833373)	Displacement of [3H]YM-09151-2 from human D2 receptor expressed in CHO cells
50033918	7	ChEMBL_769368 (CHEMBL1833374)	Displacement of [3H]YM-09151-2 from human D3 receptor expressed in CHO cells
50033918	8	ChEMBL_769369 (CHEMBL1833375)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK cells
50033918	9	ChEMBL_769432 (CHEMBL1833529)	Binding affinity to sigma 1 receptor
50033918	10	ChEMBL_769370 (CHEMBL1833376)	Displacement of [3H]8-OH-DPAT from human 5HT2A receptor expressed in HEK cells
50033919	1	ChEMBL_769453 (CHEMBL1831393)	Displacement of radiolabeled 1alpha, 25-(OH)2D3 from recombinant rat VDR
50033920	1	ChEMBL_769664 (CHEMBL1831435)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50033921	1	ChEMBL_769673 (CHEMBL1831444)	Antagonist activity at thromboxane receptor in human blood assessed as inhibition of U-46619-induced effect
50033922	1	ChEMBL_769754 (CHEMBL1831560)	Displacement of [3H]5-carboximidotryptamine from 5-HT1D receptor after 1.5 hrs by scintillation counting
50033922	2	ChEMBL_769755 (CHEMBL1831561)	Displacement of [3H]mesulergine from 5-HT2C receptor after 1.5 hrs by scintillation counting
50033922	3	ChEMBL_769758 (CHEMBL1831564)	Displacement of [3H]LSD from 5-HT5A receptor after 1.5 hrs by scintillation counting
50033922	4	ChEMBL_769759 (CHEMBL1831565)	Displacement of [3H]LSD from 5-HT7 receptor after 1.5 hrs by scintillation counting
50033922	6	ChEMBL_769760 (CHEMBL1831566)	Displacement of [3H]WIN35428 from DAT after 1.5 hrs by scintillation counting
50033922	8	ChEMBL_769756 (CHEMBL1831562)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor after 1.5 hrs by scintillation counting
50033922	9	ChEMBL_769757 (CHEMBL1831563)	Displacement of [3H]LSD from 5-HT2B receptor after 1.5 hrs by scintillation counting
50033922	5	ChEMBL_769762 (CHEMBL1831568)	Displacement of [3H]SCH233930 from dopamine D5 receptor after 1.5 hrs by scintillation counting
50033922	7	ChEMBL_769761 (CHEMBL1831567)	Displacement of [3H]QNB from muscarinic acetylcholine M5 receptor after 1.5 hrs by scintillation counting
50033922	11	ChEMBL_769744 (CHEMBL1831550)	Inhibition of CDK5
50033922	12	ChEMBL_769747 (CHEMBL1831553)	Inhibition of GSK3-beta
50033923	2	ChEMBL_769837 (CHEMBL1831831)	Inhibition of MMP2 after 30 mins
50033923	3	ChEMBL_769838 (CHEMBL1831832)	Inhibition of aminopeptidase N in human ES2 cells assessed as L-Leu-p-nitroanilide hydrolysis
50033924	1	ChEMBL_769844 (CHEMBL1831838)	Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells
50033924	2	ChEMBL_769843 (CHEMBL1831837)	Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake
50033924	3	ChEMBL_769842 (CHEMBL1831836)	Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells
50033924	4	ChEMBL_769841 (CHEMBL1831835)	Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake
50033925	1	ChEMBL_770049 (CHEMBL1832424)	Antagonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assay
50033926	1	ChEMBL_770127 (CHEMBL1832706)	Inhibition of microsomal PGES
50033926	2	ChEMBL_770129 (CHEMBL1832708)	Inhibition of human recombinant microsomal PGES-1 expressed in freestyle 293-f cells assessed as conversion of PGH2 to PGE2 after 15 mins by enzyme immunoassay
50033927	1	ChEMBL_770130 (CHEMBL1832709)	Displacement of FITC-labeled geldanamycin from human recombinant HSP90alpha after 24 hrs by fluorescence displacement assay
50033927	2	ChEMBL_770133 (CHEMBL1832712)	Binding affinity to HSP90
50033928	1	ChEMBL_770250 (CHEMBL1831700)	Inhibition of human recombinant (His)6-tagged EGFR autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorimetry
50033928	2	ChEMBL_770251 (CHEMBL1831701)	Inhibition of human recombinant (His)6-tagged HER-2 autophosphorylation pre-incubated for 10 mins by DELFIA/Time-resolved fluorimetry
50033928	3	ChEMBL_770252 (CHEMBL1831702)	Inhibition of EGFR
50033928	4	ChEMBL_770253 (CHEMBL1831703)	Inhibition of HER-2
50033929	1	ChEMBL_770260 (CHEMBL1831710)	Inhibition of MetAP2 after 4 hrs
50033930	1	ChEMBL_770316 (CHEMBL1833625)	Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting
50033930	2	ChEMBL_770317 (CHEMBL1833626)	Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP enzyme immunoassay
50033930	3	ChEMBL_770318 (CHEMBL1833627)	Antagonist activity at rat CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP enzyme immunoassay
50033931	1	ChEMBL_770450 (CHEMBL1833759)	Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by fluorimetric assay
50033932	1	ChEMBL_770761 (CHEMBL1837431)	Binding affinity to MAG
50033932	2	ChEMBL_770762 (CHEMBL1837432)	Inhibition of MAG
50033932	3	ChEMBL_770763 (CHEMBL1837433)	Inhibition of MAG -Fc chimera expressed in CHO cells using NeuAc alpha2-3Galbeta1-4GlcNAc-R coupled biotinylated polyacrylamide after 30 mins by ELISA
50033932	4	ChEMBL_770764 (CHEMBL1837434)	Binding affinity to wild type MAG at 400 uM by Isothermal titration calorimetry
50033933	1	ChEMBL_770872 (CHEMBL1837820)	Antagonist activity at human NPY5 receptor assessed as calcium mobilization by FLIPR assay
50033933	2	ChEMBL_770870 (CHEMBL1837818)	Inhibition of serotonin transporter
50033933	3	ChEMBL_770869 (CHEMBL1837817)	Binding affinity to NPY5 receptor
50033933	4	ChEMBL_770868 (CHEMBL1837816)	Binding affinity to NPY1 receptor
50033933	5	ChEMBL_770932 (CHEMBL1838030)	Antagonist activity at rat NPY5 receptor
50033933	6	ChEMBL_770873 (CHEMBL1837821)	Antagonist activity at human NPY1 receptor assessed as calcium mobilization by FLIPR assay
50033933	7	ChEMBL_770874 (CHEMBL1837822)	Antagonist activity at human NPY2 receptor assessed as calcium mobilization by FLIPR assay
50033933	8	ChEMBL_770875 (CHEMBL1837823)	Antagonist activity at human NPY4 receptor assessed as calcium mobilization by FLIPR assay
50033933	9	ChEMBL_770889 (CHEMBL1837837)	Inhibition of CYP2D6
50033933	10	ChEMBL_770888 (CHEMBL1837836)	Inhibition of CYP2C19
50033933	11	ChEMBL_770887 (CHEMBL1837835)	Inhibition of CYP2C9
50033933	12	ChEMBL_770886 (CHEMBL1837834)	Inhibition of CYP1A2
50033933	13	ChEMBL_770885 (CHEMBL1837833)	Inhibition of CYP3A4
50033933	14	ChEMBL_770882 (CHEMBL1837830)	Inhibition of human ERG by patch-clamp assay
50033933	15	ChEMBL_770881 (CHEMBL1837829)	Binding affinity to human 5HT1A receptor
50033933	16	ChEMBL_770880 (CHEMBL1837828)	Binding affinity to human 5HT2B receptor
50033934	1	ChEMBL_770952 (CHEMBL1838191)	Inhibition of recombinant human HDAC6 using Boc-L-Lys(epsilon-acetyl)-AMC as substrate by two-step fluorogenic assay
50033934	2	ChEMBL_770953 (CHEMBL1838192)	Inhibition of recombinant human HDAC7 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
50033934	3	ChEMBL_770954 (CHEMBL1838193)	Inhibition of recombinant human HDAC8 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
50033934	4	ChEMBL_770955 (CHEMBL1838194)	Inhibition of recombinant human HDAC9 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
50033934	5	ChEMBL_770956 (CHEMBL1838195)	Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 0.2 mM H2O2 (Rvb = 0.018 uM)
50033934	6	ChEMBL_770957 (CHEMBL1838196)	Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 0.4 mM H2O2 (Rvb = 0.018 uM)
50033934	7	ChEMBL_770958 (CHEMBL1838197)	Inhibition of recombinant human HDAC3/N-CoR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay in presence of 1 mM H2O2 (Rvb = 0.018 uM)
50033934	10	ChEMBL_770950 (CHEMBL1838189)	Inhibition of recombinant human HDAC3/NCOR2 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
50033934	11	ChEMBL_770951 (CHEMBL1838190)	Inhibition of recombinant human HDAC4 using Boc-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate by two-step fluorogenic assay
50048887	2	ChEMBL_178933 (CHEMBL782876)	Calcium channel binding activity against dihydropyridine receptor in rat brain cortical membranes
50000282	14	ChEMBL_600 (CHEMBL615470)	Binding affinity against 5-hydroxytryptamine 1A receptor
50036073	14	ChEBML_33993	Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro
50036073	17	ChEBML_38738	Inhibitory concentration against radioligand [3H]dihydroalprenolol binding to Beta adrenergic receptor in rat cortex
50036073	13	ChEBML_33995	In vitro inhibitory concentration against radioligand [3H]WB-4101 binding to rat cortical alpha-1 adrenergic receptor
50036073	10	ChEBML_219116	Inhibition of [3H]muscimol binding to GABA-A of rat cerebellum
50036073	12	ChEBML_34062	Inhibitory concentration against radioligand [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex
50036073	16	ChEBML_1935	Inhibitory concentration against radioligand [3H]spiperone binding to 5-hydroxytryptamine 2 receptor in rat cortex
50036073	19	ChEMBL_201133 (CHEMBL872418)	Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain
50036073	11	ChEBML_58341	Inhibitory concentration against radioligand [3H]-SCH- 23390 binding to Dopamine receptor D1 receptors in rat striatum
50036073	18	ChEMBL_201135 (CHEMBL803876)	Inhibitory concentration against radioligand [3H]DTG binding to haloperidol-sensitive sigma binding site in whole guinea pig brain
50000284	3	ChEBML_27637	In vitro effect on coronary vasodilation in guinea pig heart.
50000284	4	ChEBML_29278	In vitro prolonging of the stimulus-QRS interval in guinea pig heart.
50033936	1	ChEMBL_770820 (CHEMBL1837625)	Inhibition of hypoxia-induced HIF1alpha activation in human ME180 cells by HRE3-Bla-luciferase reporter gene assay
50033937	1	ChEMBL_770824 (CHEMBL1837629)	Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in human HEK293 cells after 90 mins by radioligand assay
50033937	2	ChEMBL_770827 (CHEMBL1837632)	Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay
50033938	1	ChEMBL_770536 (CHEMBL1839344)	Inhibition of CYP2D6
50033938	2	ChEMBL_770535 (CHEMBL1839343)	Inhibition of CYP2C19
50033938	3	ChEMBL_770537 (CHEMBL1839345)	Inhibition of CYP3A4 using vivid red as substrate
50033938	4	ChEMBL_770534 (CHEMBL1839237)	Inhibition of CYP2C9
50033938	5	ChEMBL_770526 (CHEMBL1839229)	Inhibition of CYP3A4 using vivid green as substrate
50033939	1	ChEMBL_770586 (CHEMBL1839497)	Inhibition of ovine COX1 using TMPD as substrate preincubated for 15 mins
50033940	1	ChEMBL_770589 (CHEMBL1839500)	Inhibition of influenza A virus A/PR/8/34(H1N1) neuraminidase assessed as fluorescent product using MUNANA as substrate after 60 mins by fluorescence analysis
50033941	1	ChEMBL_770593 (CHEMBL1839504)	Inhibition of human ERG by patch clamp assay
50033941	2	ChEMBL_770596 (CHEMBL1839507)	Inhibition of T-type calcium channel alpha1G expressed in human HEK293 cells assessed as KCl-induced depolarization after 60 mins by FDSS6000 assay
50033942	1	ChEMBL_770621 (CHEMBL1839631)	Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells
50033942	2	ChEMBL_770623 (CHEMBL1839633)	Inhibition of human ERG
50033943	1	ChEMBL_770721 (CHEMBL1837245)	Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate by Michaelis-Menten method
50033943	2	ChEMBL_770720 (CHEMBL1837244)	Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate by Michaelis-Menten method
50033943	3	ChEMBL_770726 (CHEMBL1837250)	Mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate by Michaelis-Menten method
50033944	1	ChEMBL_770788 (CHEMBL1837593)	Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay
50033944	2	ChEMBL_770789 (CHEMBL1837594)	Inhibition of trypanothione reductase from Trypanosoma cruzi by DTNB-coupled spectrophotometric assay
50033944	3	ChEMBL_770790 (CHEMBL1837595)	Mixed type inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method
50033944	4	ChEMBL_770791 (CHEMBL1837596)	Inhibition of human glutathione reductase
50033944	5	ChEMBL_770794 (CHEMBL1837599)	Competitive inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by Lineweaver burk method
50033945	1	ChEMBL_770796 (CHEMBL1837601)	Inhibition of human recombinant CA2 by CO2 hydration based stopped flow assay
50033945	2	ChEMBL_770798 (CHEMBL1837603)	Inhibition of human recombinant CA12 by CO2 hydration based stopped flow assay
50033945	3	ChEMBL_770795 (CHEMBL1837600)	Inhibition of human recombinant CA1 by CO2 hydration based stopped flow assay
50033945	4	ChEMBL_770797 (CHEMBL1837602)	Inhibition of human recombinant CA9 by CO2 hydration based stopped flow assay
50033946	1	ChEMBL_770669 (CHEMBL1839794)	Antagonist activity at integrin alpha2beta3-mediated aggregation in ADP-stimulated human platelets
50033946	2	ChEMBL_770670 (CHEMBL1839795)	Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets
50033947	1	ChEMBL_770673 (CHEMBL1839798)	Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by TR-FRET assay
50033947	2	ChEMBL_770672 (CHEMBL1839797)	Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo assay
50033948	1	ChEMBL_770696 (CHEMBL1839821)	Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration activity by stopped flow assay
50033948	2	ChEMBL_770697 (CHEMBL1839822)	Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration activity by stopped flow assay
50033948	3	ChEMBL_770698 (CHEMBL1839823)	Inhibition of human carbonic anhydrase 9-catalyzed CO2 hydration activity by stopped flow assay
50033948	4	ChEMBL_770699 (CHEMBL1839824)	Inhibition of human carbonic anhydrase 12-catalyzed CO2 hydration activity by stopped flow assay
50033949	1	ChEMBL_770705 (CHEMBL1837229)	Agonist activity at human recombinant PPARalpha expressed in HepG2 cells co-transfected with pGL3-PPRE3-TK-luc reporter assessed as beta-galactosidase activity after 24 hrs by luciferase based transactivation assay
50033949	2	ChEMBL_770708 (CHEMBL1837232)	Binding affinity to histidine-tagged human PPARalpha-LBD assessed as recruitment of co-activator peptide fluorescein-labeled PGC1alpha after 2 hrs by TR-FRET assay
50033950	1	ChEMBL_771346 (CHEMBL1839618)	Inhibition of phosphorylation of SAM68 in 293 WT-PTK6 cells after 3 hrs
50033950	3	ChEMBL_771345 (CHEMBL1839617)	Inhibition of BRK pretreated for 30 mins by microplate reader
50033950	4	ChEMBL_771348 (CHEMBL1839620)	Inhibition of LCK
50036075	6	ChEBML_146240	Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane
50036075	7	ChEBML_146877	Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane
50036075	8	ChEBML_145206	Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane
50036076	6	ChEBML_145347	Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor kappa in guinea pig cerebellum membranes
50036076	7	ChEBML_146266	Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in guinea pig cerebellum membranes
50033951	1	ChEMBL_771422 (CHEMBL1837182)	Antagonist activity at cannabinoid CB2 receptor
50033951	2	ChEMBL_771421 (CHEMBL1837181)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in CHO-K1 cells
50033952	1	ChEMBL_771433 (CHEMBL1837193)	Inhibition of CYP2C19
50033953	1	ChEMBL_771562 (CHEMBL1837741)	Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP
50033953	2	ChEMBL_771564 (CHEMBL1837743)	Inhibition human recombinant Abl using Abtide peptide substrate in presence of [gamma-32P]-ATP
50033953	3	ChEMBL_771567 (CHEMBL1837746)	Inhibition human recombinant HcK using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP
50033953	4	ChEMBL_771568 (CHEMBL1837747)	Inhibition human recombinant Pim1 using KKRNRLTLTV peptide substrate in presence of [gamma-32P]-ATP
50033954	1	ChEMBL_771582 (CHEMBL1837761)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting
50033954	2	ChEMBL_771583 (CHEMBL1837762)	Binding affinity to 5-HT2A receptor by radioligand binding assay
50033954	3	ChEMBL_771581 (CHEMBL1837760)	Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry
50036079	2	ChEMBL_59437 (CHEMBL671450)	Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes
50048888	1	ChEMBL_47171 (CHEMBL877290)	Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.
50000128	7	ChEMBL_1907 (CHEMBL884529)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor from rat cortical membranes.
50000128	8	ChEMBL_33272 (CHEMBL643610)	Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of whole rat brain membranes
50033956	1	ChEMBL_771668 (CHEMBL1838148)	Inhibition of TPL2
50033957	2	ChEMBL_771731 (CHEMBL1838349)	Agonist activity at beta-1 adrenergic receptor
50033957	3	ChEMBL_771725 (CHEMBL1838343)	Displacement of [3H]N-methylscopolamine from human M3 receptor
50033957	4	ChEMBL_771726 (CHEMBL1838344)	Displacement of [3H]nisoxetine from human NET receptor
50033958	1	ChEMBL_771898 (CHEMBL1838909)	Displacement of [3H]DAMGO from human MOP receptor expressed in CHO cells after 60 mins by scintillation counting
50000128	6	ChEMBL_1910 (CHEMBL616965)	Compound was tested for the displacement of [3H]ketanserin from serotonin 5-hydroxytryptamine 2 receptor from rat cortical membranes.
50033958	4	ChEMBL_771035 (CHEMBL1838557)	Partial agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting
50033959	1	ChEMBL_771219 (CHEMBL1839301)	Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting
50033959	2	ChEMBL_771223 (CHEMBL1839305)	Inhibition of human 5-HT1A receptor
50033959	3	ChEMBL_771224 (CHEMBL1839306)	Inhibition of human 5-HT1D receptor
50033959	4	ChEMBL_771221 (CHEMBL1839303)	Inhibition of human 5-HT2A receptor
50033959	5	ChEMBL_771222 (CHEMBL1839304)	Inhibition of human 5-HT2C receptor
50033959	6	ChEMBL_771225 (CHEMBL1839307)	Inhibition of human 5-HT7 receptor
50033959	7	ChEMBL_771226 (CHEMBL1839308)	Inhibition of human dopamine D2 receptor
50033960	2	ChEMBL_771288 (CHEMBL1839476)	Inhibition of human recombinant MMP2 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	3	ChEMBL_771372 (CHEMBL1839753)	Inhibition of human recombinant MMP3 catalytic domain assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	4	ChEMBL_771367 (CHEMBL1839748)	Inhibition of human recombinant MMP7 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	5	ChEMBL_771366 (CHEMBL1839747)	Inhibition of human recombinant MMP3 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50033960	6	ChEMBL_771365 (CHEMBL1839746)	Inhibition of human recombinant MMP1 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp)AR-NH2 by fluorescence spectrofluorometry 
50000129	8	ChEMBL_1908 (CHEMBL616503)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes
50033961	1	ChEMBL_771071 (CHEMBL1838732)	Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting
50033961	2	ChEMBL_771096 (CHEMBL1838757)	Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scintillation counter
50033962	2	ChEMBL_771172 (CHEMBL1837089)	Displacement of [3H]Ile-deltorphin-2 from rat brain delta-type opioid receptor by liquid scintillation counting
50033962	3	ChEMBL_771174 (CHEMBL1837091)	Agonist activity at rat brain mu-opioid receptor assessed as [35S]GTPgammaS binding by liquid scintillation counting
50033962	4	ChEMBL_771175 (CHEMBL1837092)	Agonist activity at Mu-type opioid receptor
50033962	6	ChEMBL_771177 (CHEMBL1837094)	Agonist activity at guinea pig ileum Mu-type opioid receptor
50033963	1	ChEMBL_771231 (CHEMBL1839313)	Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting
50033963	2	ChEMBL_771230 (CHEMBL1839312)	Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting
50033963	3	ChEMBL_771233 (CHEMBL1839315)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate after 2.5 hrs by liquid scintillation counting
50033964	1	ChEMBL_771247 (CHEMBL1839329)	Inhibition of SCD1 in rat Hep cells
50033964	2	ChEMBL_771238 (CHEMBL1839320)	Inhibition of SCD1 in human HepG2 cells
50033964	3	ChEMBL_771237 (CHEMBL1839319)	Inhibition of rat SCD1 in rat liver microsome
50033965	1	ChEMBL_771322 (CHEMBL1839594)	Inhibition of BRAF
50033966	1	ChEMBL_771323 (CHEMBL1839595)	Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assay
50033966	2	ChEMBL_771324 (CHEMBL1839596)	Inhibition of FAS in mouse N42 cells assessed as [14C]-acetate incorporation after 4 hrs by scintillation counting
50033966	3	ChEMBL_771403 (CHEMBL1839784)	Inhibition of human CYP1A2
50033966	4	ChEMBL_771404 (CHEMBL1839785)	Inhibition of human CYP2C9
50033966	5	ChEMBL_771405 (CHEMBL1839786)	Inhibition of human CYP2C19
50033966	6	ChEMBL_771406 (CHEMBL1839787)	Inhibition of human CYP2D6
50033966	7	ChEMBL_771407 (CHEMBL1839788)	Inhibition of human CYP3A4
50033967	1	ChEMBL_771453 (CHEMBL1837213)	Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting
50033968	1	ChEMBL_771460 (CHEMBL1837220)	Inhibition of equine BuChE by Ellman's method
50033968	2	ChEMBL_771459 (CHEMBL1837219)	Inhibition of human AChE by Ellman's assay
50033969	1	ChEMBL_771464 (CHEMBL1837224)	Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins by scintillation proximity assay
50033969	2	ChEMBL_771490 (CHEMBL1837389)	Inhibition of human 11beta HSD2
50033970	1	ChEMBL_771509 (CHEMBL1837408)	Inhibition of human recombinant full length GSK3-beta after 1 hrs by luminescence assay
50033971	1	ChEMBL_771748 (CHEMBL1838366)	Inhibition of HDAC1 by fluorescent activity assay
50033972	1	ChEMBL_771754 (CHEMBL1838496)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry
50033972	2	ChEMBL_771755 (CHEMBL1838497)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry
50033972	3	ChEMBL_771756 (CHEMBL1838498)	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting
50033973	1	ChEMBL_771869 (CHEMBL1838880)	Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopy
50033973	2	ChEMBL_771870 (CHEMBL1838881)	Inhibition of human N-terminal GST-tagged HSP90alpha expressed in Escherichia coli after 1 hr using 10 mM of ATP and malachite green by microplate reader
50033973	3	ChEMBL_771868 (CHEMBL1838879)	Binding affinity to biotinylated N-terminal human HSP90alpha using of streptavidin coated surface by SPR binding assay
50033974	1	ChEMBL_771088 (CHEMBL1838749)	Inhibition of HDAC8
50033974	2	ChEMBL_771089 (CHEMBL1838750)	Inhibition of human HDAC4 catalytic domain (residues Thr648-Thr1057) expressed in Escherichia coli BL21using fluorogenic substrate by fluorescence assay
50000129	7	ChEMBL_1909 (CHEMBL616964)	Compound was tested for the displacement of [3H]ketanserin from serotonin 5-hydroxytryptamine 2 receptor
50033974	4	ChEMBL_771084 (CHEMBL1838745)	Inhibition of HDAC8 assessed as substrate deacetylation using N-acetyl-L-Arg-LHis-L-Lys(epsilon-acetyl)-L-Lys(epsilon-acetyl)-coumarin as substrate preincubated for 15 mins measured after 20 mins by fluorescence assay
50033974	5	ChEMBL_771085 (CHEMBL1838746)	Inhibition of Mycoplana ramosa acetylpolyamine amidohydrolase assessed as substrate deacetylation using L-Lys(epsilon-acetyl)-coumarin as substrate preincubated for 15 mins measured after 30 mins by fluorescence assay
50033974	6	ChEMBL_771086 (CHEMBL1838747)	Displacement of [14C-guanidino]-L-arginine from human recombinant full length arginase 1 expressed in Escherichia coli BL21(DE3) by fixed point assay
50033975	1	ChEMBL_771182 (CHEMBL1837099)	Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 5.5 by dixon plot analysis
50033975	2	ChEMBL_771183 (CHEMBL1837100)	Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 6.8 by dixon plot analysis
50033976	1	ChEMBL_771275 (CHEMBL1839463)	Inhibition of human Plasminogen activator inhibitor 1 using HRP substrate after 30 mins by chromogenic assay
50033977	1	ChEMBL_772341 (CHEMBL1838786)	Binding affinity to recombinant human CB1 receptor
50033977	2	ChEMBL_772340 (CHEMBL1838785)	Displacement of [3H]BAY-38-7271 from CB1 receptor in Wistar rat brain membranes after 90 mins by scintillation counting
50033977	3	ChEMBL_772344 (CHEMBL1838789)	Displacement of [3H]BAY-38-7271 from CB1 receptor in human brain cortex membranes after 90 mins by scintillation counting
50033977	4	ChEMBL_772339 (CHEMBL1838784)	Displacement of [3H]BAY-38-7271 from recombinant human CB2 receptor expressed in CHO cells after 90 mins by scintillation counting
50033977	5	ChEMBL_772345 (CHEMBL1838790)	Displacement of [3H]CP55940 from rat cannabinoid CB1 receptor
50033977	6	ChEMBL_772346 (CHEMBL1838791)	Displacement of [3H]CP55940 from mouse cannabinoid CB2 receptor
50033977	7	ChEMBL_772347 (CHEMBL1838792)	Displacement of [3H]CP55940 from human cannabinoid CB2 receptor
50033978	1	ChEMBL_772356 (CHEMBL1838801)	Agonist activity at GR in human SW1353 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity
50033979	1	ChEMBL_772454 (CHEMBL1839245)	Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry
50033980	1	ChEMBL_772742 (CHEMBL1837354)	Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds by FLIPR assay
50033980	2	ChEMBL_772750 (CHEMBL1837362)	Inhibition of CYP1A2
50033980	3	ChEMBL_772751 (CHEMBL1837363)	Inhibition of CYP2C9
50033980	4	ChEMBL_772752 (CHEMBL1837364)	Inhibition of CYP2C19
50033980	5	ChEMBL_772753 (CHEMBL1837365)	Inhibition of CYP2D6
50033980	6	ChEMBL_772754 (CHEMBL1837366)	Inhibition of CYP3A4
50033980	7	ChEMBL_772747 (CHEMBL1837359)	Agonist activity at human V2 receptor
50033980	8	ChEMBL_772748 (CHEMBL1837360)	Antagonist activity at human V2 receptor
50033980	9	ChEMBL_772749 (CHEMBL1837361)	Displacement of [3H]dofetilide from human ERG transfected in HEK293 cells by fluorescence polarization binding assay
50033981	1	ChEMBL_772828 (CHEMBL1837700)	Agonist activity at TLR7
50033981	2	ChEMBL_772827 (CHEMBL1837699)	Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production
50033982	1	ChEMBL_772846 (CHEMBL1837718)	Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay
50033982	2	ChEMBL_772848 (CHEMBL1837720)	Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay
50033983	1	ChEMBL_772056 (CHEMBL1837665)	Antagonist activity at recombinant human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formation
50033983	2	ChEMBL_772103 (CHEMBL1837869)	Binding affinity to recombinant human CRF1 receptor expressed in CHO cells
50033984	1	ChEMBL_772109 (CHEMBL1837875)	Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activation measured 24 hrs post infection by luciferase reporter gene assay
50033985	1	ChEMBL_772110 (CHEMBL1837876)	Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum
50033985	2	ChEMBL_772111 (CHEMBL1837877)	Displacement of [3H]DPDPE from mouse delta opioid receptor in whole brain without cerebellum
50033985	3	ChEMBL_772112 (CHEMBL1837878)	Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum
50033986	1	ChEMBL_772170 (CHEMBL1838227)	Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid scintillation counting
50033987	1	ChEMBL_772266 (CHEMBL1838588)	Inhibition of HDAC1 after 30 mins by Fluor de Lys fluorescence assay
50033987	2	ChEMBL_772267 (CHEMBL1838589)	Inhibition of HDAC3 after 30 mins by Fluor de Lys fluorescence assay
50033987	3	ChEMBL_772268 (CHEMBL1838590)	Inhibition of HDAC6 after 30 mins by Fluor de Lys fluorescence assay
50033988	1	ChEMBL_772464 (CHEMBL1839255)	Agonist activity at human amino-terminal polyhistidine-tagged FXR alpha LBD (amino acids 237 to 472) assessed as cofactor peptide SRC-1 interaction with receptor ligand binding domain after 2 hrs by FRET assay
50033988	2	ChEMBL_772465 (CHEMBL1839256)	Agonist activity at human FXR LBD transfected in african green monkey CV1 cells after overnight incubation by luciferase reporter gene assay
50033989	1	ChEMBL_772485 (CHEMBL1839276)	Inhibition of ovine COX1 by enzyme immuno assay
50033989	2	ChEMBL_772567 (CHEMBL1839542)	Inhibition of ovine COX2 by enzyme immuno assay
50033990	1	ChEMBL_772576 (CHEMBL1839551)	Inhibition of recombinant GST-tagged SIRT1 after 1 hr by Fluor de Lys-based fluorescence assay
50033990	2	ChEMBL_772578 (CHEMBL1839553)	Inhibition of recombinant GST-tagged SIRT2 after 1 hr by Fluor de Lys-based fluorescence assay
50033990	3	ChEMBL_772579 (CHEMBL1839554)	Inhibition of recombinant GST-tagged SIRT2 at 200 uM after 1 hr by Fluor de Lys-based fluorescence assay
50033991	1	ChEMBL_772681 (CHEMBL1837149)	Inhibition of CYP3A4
50033992	1	ChEMBL_772684 (CHEMBL1837152)	Antagonist activity at human B1 receptor
50033992	2	ChEMBL_772771 (CHEMBL1837510)	Inhibition of rabbit B1 receptor by cellular calcium flux assay
50033992	3	ChEMBL_772686 (CHEMBL1837154)	Antagonist activity at human B1 receptor expressed in CHO cells by aequorin-based calcium flux assay
50033993	3	ChEMBL_772792 (CHEMBL1837531)	Inhibition of human kallikrein 7 using Abz-KLYSSKQ-EDDnp as substrate by spectrofluorimetric assay
50033994	1	ChEMBL_773169 (CHEMBL1838645)	Inhibition of human Myc-DDK tagged caspase-2 expressed in HEK293 T17 cells using Ac-VDVAD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measured up to 5 hrs by fluorometric analysis
50033994	2	ChEMBL_773170 (CHEMBL1838646)	Inhibition of C-terminal FLAG-tagged human caspase-3 expressed in HEK293 T17 cells using Ac-DEVD-AMC coumarin-120 as substrate pre-incubated for 2 hrs measured after 48 hrs by fluorometric analysis
50033994	3	ChEMBL_773167 (CHEMBL1838643)	Inhibition of C-terminal histidine-tagged caspase-3 using Ac-DEVD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis
50033994	4	ChEMBL_773166 (CHEMBL1838642)	Inhibition of caspase-2 (amino acids 170 to 452) using Ac-VDVAD-AMC coumarin-120 as substrate after 20 mins by fluorometric analysis
50033995	1	ChEMBL_772123 (CHEMBL1838042)	Inhibition of His6-tagged Yersinia pestis KIM6 CDP-ME kinase assessed as ADP production after 30 mins by Kinase Glo luminescence-based assay or standard pyruvate kinase/lactate dehydrogenase-coupled absorbance-based assay
50033996	1	ChEMBL_772292 (CHEMBL1838614)	Binding affinity to kappa opioid receptor by radioligand displacement assay
50048889	1	ChEMBL_156465 (CHEMBL761542)	Inhibition of cAMP PDE 3
50048889	2	ChEMBL_217159 (CHEMBL824588)	In vitro inhibitory activity against cAMP PDE III.
50048889	3	ChEMBL_217160 (CHEMBL824589)	Inhibition of cAMP Phosphodiesterase 3
50048889	4	ChEMBL_156466 (CHEMBL761543)	Inhibition of cAMP PDE 3
50048890	1	ChEMBL_156776 (CHEMBL756940)	Inhibition of Canine Tracheal Smooth Muscle PDE 4
50048890	2	ChEMBL_156775 (CHEMBL756939)	Inhibition of Canine Tracheal Smooth Muscle PDE 4
50036082	2	ChEMBL_29531 (CHEMBL643518)	Reversible binding Ki was measured by the inhibition of the carbon-carbon bond cleavage activity against rat ATP-Citrate Lyase
50036084	3	ChEMBL_2991 (CHEMBL619782)	Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15. 
50036085	7	ChEMBL_2326 (CHEMBL617533)	Binding affinity against 5-hydroxytryptamine 2 receptor in rat using [3H]ketanserin as radioligand
50036085	6	ChEMBL_1931 (CHEMBL616985)	Inhibitory activity against 5-hydroxytryptamine 2 receptor
50036085	8	ChEMBL_2361 (CHEMBL617435)	Binding affinity against 5-Hydroxy tryptamine 2 (5-hydroxytryptamine 2)receptor
50036085	9	ChEMBL_2393 (CHEMBL617671)	Inhibitory constant against 5-hydroxytryptamine 2 receptor
50033998	1	ChEMBL_772695 (CHEMBL1837163)	Inhibition of human DGAT1
50033998	2	ChEMBL_772696 (CHEMBL1837164)	Inhibition of human DGAT-1-mediated triglyceride synthesis in the HT-29 cells by whole cell assay
50033999	1	ChEMBL_772801 (CHEMBL1837540)	Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50033999	2	ChEMBL_772802 (CHEMBL1837541)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs
50033999	3	ChEMBL_772799 (CHEMBL1837538)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs
50033999	4	ChEMBL_772800 (CHEMBL1837539)	Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs
50036086	4	ChEMBL_70338 (CHEMBL676999)	Inhibition of Fibrinogen receptor binding
50036086	5	ChEMBL_158206 (CHEMBL763555)	Inhibition of platelet aggregation (PRP)
50036086	6	ChEMBL_70339 (CHEMBL677000)	Inhibition of 125 I-Fibrinogen binding to Fibrinogen receptor
50036087	11	ChEMBL_30713 (CHEMBL646480)	Binding affinity for adenosine A2 receptor using [3H]- NECA
50036087	12	ChEMBL_29306 (CHEMBL640367)	Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand
50036087	10	ChEMBL_27784 (CHEMBL645920)	Binding affinity for adenosine A2 receptor using [3H]- NECA antagonism of adenylate cyclase activation in human platelets
50000369	3	ChEMBL_2409 (CHEMBL617687)	The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand
50000017	2	ChEMBL_76079 (CHEMBL686814)	In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis
50000670	2	ChEMBL_31764 (CHEMBL641358)	In vitro inhibitory activity against aldose reductase isolated from human placenta
50042200	5	ChEMBL_37099 (CHEMBL858098)	Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria
50042200	6	ChEMBL_37100 (CHEMBL650940)	Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound
50042200	4	ChEMBL_38152 (CHEMBL651043)	Binding affinity against beta-2 adrenergic receptor in guinea pig lung membranes
50042200	3	ChEMBL_38151 (CHEMBL651042)	Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes
50042200	7	ChEMBL_38149 (CHEMBL651040)	Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea
50042200	8	ChEMBL_37105 (CHEMBL650945)	Binding affinity against Beta-1 adrenergic receptor in guinea pig left ventricle
50042200	10	ChEMBL_38150 (CHEMBL651041)	Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound
50042200	9	ChEMBL_37106 (CHEMBL650946)	Binding affinity against beta-1 adrenergic receptor in guinea pig left ventricle
50034001	1	ChEMBL_772883 (CHEMBL1838286)	Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by Lineweaver-Burk plot analysis
50034001	2	ChEMBL_772884 (CHEMBL1838287)	Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate by fluorimetry
50034002	1	ChEMBL_772897 (CHEMBL1838300)	Antagonist activity at human progesterone receptor in T47D cells after 24 hrs by alkaline phosphatase assay
50034002	2	ChEMBL_772898 (CHEMBL1838301)	Displacement of [1,2,6,7-3H]PG from human PR-LBD after 24 hrs by liquid scintillation counting
50034002	3	ChEMBL_772899 (CHEMBL1838302)	Displacement of [3H]DHT from human recombinant androgen receptor-LBD expressed in Escherichia coli after 18 hrs by liquid scintillation counting
50034002	4	ChEMBL_772901 (CHEMBL1838304)	Displacement of [3H]-dexamethasone from human recombinant glucocorticoid receptor after 18 hrs by liquid scintillation counting
50034003	1	ChEMBL_772988 (CHEMBL1837907)	Displacement of [125I]-MCP1 from human CCR2 receptor in THP1 cells after 2 hrs by scintillation counting
50034003	2	ChEMBL_773087 (CHEMBL1839023)	Inhibition of CYP3A4
50034003	3	ChEMBL_773088 (CHEMBL1839024)	Inhibition of CYP2C9
50034003	4	ChEMBL_773089 (CHEMBL1839025)	Inhibition of CYP2C19
50034003	5	ChEMBL_773090 (CHEMBL1839026)	Inhibition of CYP2D6
50034003	6	ChEMBL_773091 (CHEMBL1839027)	Inhibition of CYP1A2
50034003	7	ChEMBL_772989 (CHEMBL1837908)	Antagonist activity at human CCR2 receptor in THP1 cells assessed as inhibition of MCP1-induced chemotaxis after 3 hrs
50034003	8	ChEMBL_772990 (CHEMBL1837909)	Displacement of [3H]-astemizole from human ERG in HEK293 cells after 1 hrs by scintillation counting
50034004	1	ChEMBL_772627 (CHEMBL1839713)	Inhibition of human leukocyte elastase using MeOSuc-Ala-Ala-Pro-Val-para-nitroanilide chromogenic substrate after 10 mins spectrophotometrically
50034004	2	ChEMBL_772638 (CHEMBL1839724)	Inhibition of human thrombin
50034004	3	ChEMBL_772639 (CHEMBL1839725)	Inhibition of Carica papaya papain
50034004	4	ChEMBL_772641 (CHEMBL1839727)	Inhibition of electric eel AChE
50036088	2	ChEMBL_31721 (CHEMBL646260)	Compound was tested for the adenylate cyclase stimulation
50036090	15	ChEMBL_32564 (CHEMBL645698)	The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex
50036090	19	ChEMBL_801 (CHEMBL615781)	The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex
50036090	12	ChEMBL_2330 (CHEMBL617537)	Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor
50036090	20	ChEMBL_2408 (CHEMBL617686)	The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cortex
50036090	14	ChEMBL_32556 (CHEMBL645691)	The binding affinity was measured on adrenergic alpha-1 receptor in rat brain tissue
50034006	1	ChEMBL_772924 (CHEMBL1838812)	Inhibition of human recombinant MAO-A expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 mins by amplex red-based fluorometric assay
50034006	2	ChEMBL_772926 (CHEMBL1838814)	Inhibition of human recombinant MAO-B expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 mins by amplex red-based fluorometric assay
50034007	1	ChEMBL_773027 (CHEMBL1838453)	Antagonist activity at recombinant rat GluA3 flip isoform receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced current at -90 mV holding potential by two-electrode voltage clamp electrophysiology
50034007	2	ChEMBL_772929 (CHEMBL1838817)	Displacement of [3H]AMPA from recombinant rat GluA1 flop isoform receptor expressed in Sf9 insect cell membrane
50034007	3	ChEMBL_773017 (CHEMBL1837936)	Displacement of [3H]AMPA from recombinant rat GluA3 flop isoform receptor expressed in Sf9 insect cell membrane
50034007	4	ChEMBL_773018 (CHEMBL1837937)	Displacement of [3H]AMPA from recombinant rat GluA4 flop isoform receptor expressed in Sf9 insect cell membrane
50034007	5	ChEMBL_773020 (CHEMBL1837939)	Displacement of [3H]AMPA from recombinant GluA2 S1S2J soluble ligand binding domain
50034008	1	ChEMBL_773032 (CHEMBL1838458)	Inhibition of human HDAC8 expressed in Escherichia coli using Boc-Lys (acetyl)-AMC as substrate treated for 5 mins before substrate addition measured after 30 mins by fluorescence assay
50034008	2	ChEMBL_773031 (CHEMBL1838457)	Inhibition of human HDAC1 expressed in Escherichia coli using fluorogenic substrate treated for 5 mins before substrate addition measured after 30 mins by fluorescence assay
50034009	1	ChEMBL_773115 (CHEMBL1839051)	Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 5 mins by Kitz-Wilson plot analysis
50034009	2	ChEMBL_773120 (CHEMBL1838090)	Non-Competitive inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis
50034009	3	ChEMBL_773121 (CHEMBL1838091)	Mixed type inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis
50034009	4	ChEMBL_773124 (CHEMBL1838094)	Reversible inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate by Lineweaver-Burk plot analysis
50034009	5	ChEMBL_773113 (CHEMBL1839049)	Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay
50034009	6	ChEMBL_773110 (CHEMBL1839046)	Inhibition of human purified steroid sulfatase
50034009	7	ChEMBL_773111 (CHEMBL1839047)	Inhibition of steroid sulfatase in human intact MCF7 cells
50034010	1	ChEMBL_773192 (CHEMBL1838668)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of PL-017-induced GPI contraction height
50034010	2	ChEMBL_773196 (CHEMBL1839146)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of MVD contraction height
50034010	3	ChEMBL_773130 (CHEMBL1838100)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells by liquid scintillation counting
50034010	4	ChEMBL_773128 (CHEMBL1838098)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50034011	1	ChEMBL_772015 (CHEMBL1837479)	Displacement of Eu-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 2 hrs by time resolved fluorescence assay
50034012	1	ChEMBL_772032 (CHEMBL1837641)	Inhibition of CYP3A4 using BFC as substrate
50034012	2	ChEMBL_773608 (CHEMBL1839974)	Inhibition of FGFR1
50034012	5	ChEMBL_773559 (CHEMBL1839925)	Inhibition of recombinant SRC
50034012	6	ChEMBL_773560 (CHEMBL1839926)	Inhibition of recombinant SYK
50034012	7	ChEMBL_773561 (CHEMBL1839927)	Inhibition of recombinant TYK2
50034012	8	ChEMBL_773562 (CHEMBL1839928)	Inhibition of recombinant VPS34 by luminescent kinase assay
50034012	9	ChEMBL_773563 (CHEMBL1839929)	Inhibition of recombinant WNK1
50034012	10	ChEMBL_773564 (CHEMBL1839930)	Inhibition of recombinant ZAP70
50034012	11	ChEMBL_773565 (CHEMBL1839931)	Inhibition of FLT3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	12	ChEMBL_773566 (CHEMBL1839932)	Inhibition of TIE2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	13	ChEMBL_773567 (CHEMBL1839933)	Inhibition of EPHB1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	14	ChEMBL_773568 (CHEMBL1839934)	Inhibition of PDGFRalpha-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	15	ChEMBL_773570 (CHEMBL1839936)	Inhibition of MET-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	19	ChEMBL_773599 (CHEMBL1839965)	Inhibition of JAK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50036090	13	ChEMBL_2404 (CHEMBL617682)	The binding affinity was measured on 5-hydroxytryptamine 2 receptor in rat brain tissue
50034012	21	ChEMBL_773602 (CHEMBL1839968)	Inhibition of ROS-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	22	ChEMBL_773603 (CHEMBL1839969)	Inhibition of TRKB juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	24	ChEMBL_773605 (CHEMBL1839971)	Inhibition of BMX-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	26	ChEMBL_772027 (CHEMBL1837491)	Inhibition of CYP2C19 using CEC as substrate
50034012	27	ChEMBL_773612 (CHEMBL1839978)	Inhibition of JNK2
50034012	28	ChEMBL_773611 (CHEMBL1839977)	Inhibition of PI4Kbeta by luminescent kinase assay
50034012	29	ChEMBL_773555 (CHEMBL1839921)	Inhibition of recombinant PLK1
50034012	30	ChEMBL_773554 (CHEMBL1839920)	Inhibition of recombinant PKN2
50034012	31	ChEMBL_773553 (CHEMBL1839919)	Inhibition of recombinant PKN1
50034012	32	ChEMBL_773552 (CHEMBL1839918)	Inhibition of recombinant PKCtheta
50034012	34	ChEMBL_773550 (CHEMBL1839916)	Inhibition of recombinant PKBalpha
50034012	35	ChEMBL_773548 (CHEMBL1839914)	Inhibition of recombinant PIM2
50034012	36	ChEMBL_773547 (CHEMBL1839913)	Inhibition of recombinant PI3Kbeta by luminescent kinase assay
50034012	37	ChEMBL_773546 (CHEMBL1839912)	Inhibition of recombinant PI3Kdelta by luminescent kinase assay
50034012	38	ChEMBL_773545 (CHEMBL1839911)	Inhibition of recombinant PI3Kalpha
50034012	40	ChEMBL_773542 (CHEMBL1839908)	Inhibition of recombinant JAK1
50034012	41	ChEMBL_773541 (CHEMBL1839907)	Inhibition of recombinant IRAK4
50034012	43	ChEMBL_773513 (CHEMBL1839879)	Inhibition of recombinant IGF1R
50034012	44	ChEMBL_773512 (CHEMBL1839878)	Inhibition of recombinant HCK
50034012	45	ChEMBL_773511 (CHEMBL1839877)	Inhibition of recombinant GSK3-beta
50034012	46	ChEMBL_773509 (CHEMBL1839875)	Inhibition of recombinant FAK
50034012	47	ChEMBL_773508 (CHEMBL1839874)	Inhibition of recombinant EPHB4
50034012	48	ChEMBL_773507 (CHEMBL1839873)	Inhibition of recombinant EPHA4
50034012	49	ChEMBL_773506 (CHEMBL1839872)	Inhibition of recombinant ERK2
50034012	50	ChEMBL_773505 (CHEMBL1839871)	Inhibition of recombinant ERBB4
50034012	51	ChEMBL_773504 (CHEMBL1839870)	Inhibition of recombinant ERBB2
50034012	52	ChEMBL_773503 (CHEMBL1839869)	Inhibition of recombinant EGFR
50034012	54	ChEMBL_773501 (CHEMBL1839867)	Inhibition of recombinant CSK
50034012	55	ChEMBL_773499 (CHEMBL1839865)	Inhibition of recombinant CK1-gamma3
50034012	56	ChEMBL_773498 (CHEMBL1839864)	Inhibition of recombinant CDK4
50034012	57	ChEMBL_773497 (CHEMBL1839863)	Inhibition of recombinant CDK2
50034012	59	ChEMBL_773495 (CHEMBL1839861)	Inhibition of recombinant BTK
50034012	61	ChEMBL_773493 (CHEMBL1839859)	Inhibition of recombinant p38-gamma
50034012	62	ChEMBL_773492 (CHEMBL1839858)	Inhibition of recombinant p38alpha
50034012	63	ChEMBL_773491 (CHEMBL1839857)	Inhibition of recombinant PAK2
50034012	64	ChEMBL_773490 (CHEMBL1839856)	Inhibition of recombinant mTOR by luminescent kinase assay
50034012	66	ChEMBL_773488 (CHEMBL1839854)	Inhibition of recombinant MNK2
50034012	67	ChEMBL_773487 (CHEMBL1839853)	Inhibition of recombinant MNK1
50034012	68	ChEMBL_773486 (CHEMBL1839852)	Inhibition of recombinant MK5
50034012	69	ChEMBL_773485 (CHEMBL1839851)	Inhibition of recombinant MK2
50034012	71	ChEMBL_773483 (CHEMBL1839849)	Inhibition of recombinant MER
50034012	72	ChEMBL_773481 (CHEMBL1839847)	Inhibition of recombinant JAK3
50034012	73	ChEMBL_773480 (CHEMBL1839846)	Inhibition of recombinant AXL
50034012	74	ChEMBL_773451 (CHEMBL1840403)	Inhibition of recombinant Aurora A
50034012	75	ChEMBL_773450 (CHEMBL1840402)	Inhibition of recombinant ALK
50034012	80	ChEMBL_772148 (CHEMBL1838067)	Inhibition of wild type FGFR2 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assay
50034012	81	ChEMBL_772147 (CHEMBL1838066)	Inhibition of wild type FGFR1 expressed in HEK293 cells assessed as inhibition of autophosphorylation of tyrosine residue after 40 mins by ELISA assay
50036090	17	ChEMBL_32563 (CHEMBL645697)	The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex
50034012	85	ChEMBL_772092 (CHEMBL1837858)	Inhibition of VEGFR1 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct
50034012	89	ChEMBL_772088 (CHEMBL1837854)	Inhibition of recombinant YES kinase
50034012	90	ChEMBL_772087 (CHEMBL1837853)	Inhibition of recombinant LYN kinase
50034012	91	ChEMBL_772086 (CHEMBL1837852)	Inhibition of recombinant LCK kinase
50034012	92	ChEMBL_772085 (CHEMBL1837851)	Inhibition of recombinant KIT kinase
50034012	93	ChEMBL_772084 (CHEMBL1837850)	Inhibition of recombinant FYN kinase
50034012	94	ChEMBL_772083 (CHEMBL1837849)	Inhibition of recombinant ABL kinase
50034012	95	ChEMBL_772081 (CHEMBL1837847)	Inhibition of recombinant FGFR4
50034012	97	ChEMBL_772077 (CHEMBL1837843)	Inhibition of recombinant FGFR3
50034012	98	ChEMBL_772076 (CHEMBL1837842)	Inhibition of CYP1A2 using CEC as substrate
50034012	99	ChEMBL_772075 (CHEMBL1837841)	Inhibition of CYP2D6 using AMMC as substrate
50034012	100	ChEMBL_772034 (CHEMBL1837643)	Inhibition of CYP2C9 using MFC as substrate
50034012	102	ChEMBL_773556 (CHEMBL1839922)	Inhibition of recombinant RET
50034012	103	ChEMBL_773544 (CHEMBL1839910)	Inhibition of recombinant PDK1
50034012	104	ChEMBL_773500 (CHEMBL1839866)	Inhibition of recombinant COT
50034012	105	ChEMBL_773482 (CHEMBL1839848)	Inhibition of recombinant JNK3
50034012	107	ChEMBL_772082 (CHEMBL1837848)	Inhibition of recombinant VEGFR2
50034012	101	ChEMBL_772033 (CHEMBL1837642)	Inhibition of CYP3A4 using DBF as substrate
50034013	1	ChEMBL_773728 (CHEMBL1840094)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric method
50034013	2	ChEMBL_773729 (CHEMBL1840095)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric method
50034014	1	ChEMBL_773750 (CHEMBL1840116)	Inhibition of JAK3
50034014	2	ChEMBL_773749 (CHEMBL1840115)	Inhibition of JAK2
50034014	3	ChEMBL_773748 (CHEMBL1840114)	Inhibition of TYK2
50034014	4	ChEMBL_773747 (CHEMBL1840113)	Inhibition of JAK1
50034014	5	ChEMBL_773311 (CHEMBL1840263)	Inhibition of JAK3 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate
50034014	6	ChEMBL_773310 (CHEMBL1840262)	Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate
50034014	7	ChEMBL_773773 (CHEMBL1840139)	Inhibition of CYP2D6
50034014	8	ChEMBL_773772 (CHEMBL1840138)	Inhibition of CYP2C9
50034014	9	ChEMBL_773771 (CHEMBL1840137)	Inhibition of CYP3A4
50034014	10	ChEMBL_773770 (CHEMBL1840136)	Inhibition of NaV1.5
50034014	11	ChEMBL_773769 (CHEMBL1840135)	Inhibition of rat CaV1.2
50034014	12	ChEMBL_773768 (CHEMBL1840134)	Inhibition of Iks channel
50034014	13	ChEMBL_773764 (CHEMBL1840130)	Inhibition of JAK2-mediated STAT5 phosphorylation in human HEL 92.1.7 irf1-bla cells
50034014	14	ChEMBL_773759 (CHEMBL1840125)	Inhibition of human hERG
50034014	15	ChEMBL_773753 (CHEMBL1840119)	Competitive inhibition of JAK2 in the presence of 2 mM ATP
50034014	16	ChEMBL_773752 (CHEMBL1840118)	Competitive inhibition of JAK2 in the presence of 15 uM ATP
50034015	1	ChEMBL_773321 (CHEMBL1840273)	Inhibition of human recombinant PI3Kalpha assessed as production of 3,4,5-inositoltriphosphate after 3 hrs by fluorescence polarization assay
50034016	1	ChEMBL_773375 (CHEMBL1840327)	Inhibition of TACE in human whole blood assessed as reduction of of LPS-induced TNFalpha production pretreated 15 mins before LPS challenge measured 5 hrs post LPS challenge
50034017	1	ChEMBL_773460 (CHEMBL1840412)	Inhibition of IRAK4 by spectrophotometry
50034017	2	ChEMBL_773459 (CHEMBL1840411)	Inhibition of JAK2 by spectrophotometry
50034017	3	ChEMBL_773458 (CHEMBL1840410)	Inhibition of Aurora A by spectrophotometry
50034017	4	ChEMBL_773457 (CHEMBL1840409)	Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting
50034017	5	ChEMBL_773456 (CHEMBL1840408)	Displacement of [33P]ATP from human recombinant FLT3 domain after 20 mins by scintillation counting
50034018	1	ChEMBL_774124 (CHEMBL1908129)	Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A9
50034018	2	ChEMBL_774123 (CHEMBL1908128)	Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7
50034018	3	ChEMBL_774126 (CHEMBL1908131)	Inhibition of AZT glucuronidation by human recombinant UGT1A6
50034018	4	ChEMBL_774122 (CHEMBL1908127)	Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6
50034018	5	ChEMBL_774121 (CHEMBL1908126)	Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A10
50034018	6	ChEMBL_774120 (CHEMBL1908125)	Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A1
50034018	7	ChEMBL_774127 (CHEMBL1908132)	Inhibition of AZT glucuronidation by human recombinant UGT2B7
50034019	1	ChEMBL_774232 (CHEMBL1908449)	Binding constant for SNRK kinase domain
50034019	2	ChEMBL_774605 (CHEMBL1908822)	Binding constant for CLK4 kinase domain
50034019	3	ChEMBL_774623 (CHEMBL1908840)	Binding constant for CAMKK1 kinase domain
50034019	4	ChEMBL_774432 (CHEMBL1908649)	Binding constant for EPHA4 kinase domain
50034019	5	ChEMBL_774433 (CHEMBL1908650)	Binding constant for EPHA7 kinase domain
50034019	6	ChEMBL_774434 (CHEMBL1908651)	Binding constant for EPHB1 kinase domain
50034019	7	ChEMBL_774435 (CHEMBL1908652)	Binding constant for EPHB3 kinase domain
50034019	8	ChEMBL_774436 (CHEMBL1908653)	Binding constant for EPHB4 kinase domain
50034019	9	ChEMBL_774437 (CHEMBL1908654)	Binding constant for EPHB6 kinase domain
50034019	10	ChEMBL_774438 (CHEMBL1908655)	Binding constant for PIK3C2G kinase domain
50034019	11	ChEMBL_774422 (CHEMBL1908639)	Binding constant for DRAK2 kinase domain
50034019	12	ChEMBL_774423 (CHEMBL1908640)	Binding constant for ACVR1B kinase domain
50034019	13	ChEMBL_774424 (CHEMBL1908641)	Binding constant for ALK kinase domain
50034019	14	ChEMBL_774425 (CHEMBL1908642)	Binding constant for BMPR1A kinase domain
50034019	17	ChEMBL_774428 (CHEMBL1908645)	Binding constant for CSK kinase domain
50034019	18	ChEMBL_774429 (CHEMBL1908646)	Binding constant for CSNK1G3 kinase domain
50034019	20	ChEMBL_774431 (CHEMBL1908648)	Binding constant for EPHA2 kinase domain
50034019	21	ChEMBL_774530 (CHEMBL1908747)	Binding constant for PKN2 kinase domain
50034019	22	ChEMBL_774531 (CHEMBL1908748)	Binding constant for PRKCQ kinase domain
50034019	24	ChEMBL_774533 (CHEMBL1908750)	Binding constant for PRKG2 kinase domain
50034019	25	ChEMBL_774534 (CHEMBL1908751)	Binding constant for MST2 kinase domain
50034019	26	ChEMBL_774535 (CHEMBL1908752)	Binding constant for MST1 kinase domain
50034019	27	ChEMBL_774536 (CHEMBL1908753)	Binding constant for TESK1 kinase domain
50034019	28	ChEMBL_774537 (CHEMBL1908754)	Binding constant for TYRO3 kinase domain
50034019	29	ChEMBL_774538 (CHEMBL1908755)	Binding constant for VRK2 kinase domain
50034019	30	ChEMBL_774242 (CHEMBL1908459)	Binding constant for DLK kinase domain
50034019	31	ChEMBL_774539 (CHEMBL1908756)	Binding constant for YSK1 kinase domain
50034019	33	ChEMBL_774541 (CHEMBL1908758)	Binding constant for MAP4K5 kinase domain
50034019	34	ChEMBL_774542 (CHEMBL1908759)	Binding constant for MAP3K2 kinase domain
50034019	35	ChEMBL_774543 (CHEMBL1908760)	Binding constant for PLK2 kinase domain
50034019	36	ChEMBL_774544 (CHEMBL1908761)	Binding constant for PIM2 kinase domain
50034019	37	ChEMBL_774545 (CHEMBL1908762)	Binding constant for CIT kinase domain
50034019	39	ChEMBL_774547 (CHEMBL1908764)	Binding constant for NDR1 kinase domain
50034019	40	ChEMBL_774548 (CHEMBL1908765)	Binding constant for NEK1 kinase domain
50034019	41	ChEMBL_774549 (CHEMBL1908766)	Binding constant for TLK1 kinase domain
50034019	42	ChEMBL_774550 (CHEMBL1908767)	Binding constant for PFTK1 kinase domain
50034019	43	ChEMBL_774231 (CHEMBL1908448)	Binding constant for PIP5K1C kinase domain
50034019	44	ChEMBL_774551 (CHEMBL1908768)	Binding constant for STK39 kinase domain
50034019	45	ChEMBL_774552 (CHEMBL1908769)	Binding constant for TBK1 kinase domain
50034019	46	ChEMBL_774553 (CHEMBL1908770)	Binding constant for SGK3 kinase domain
50034019	47	ChEMBL_774554 (CHEMBL1908771)	Binding constant for IKK-epsilon kinase domain
50034019	48	ChEMBL_774555 (CHEMBL1908772)	Binding constant for INSRR kinase domain
50034019	49	ChEMBL_774556 (CHEMBL1908773)	Binding constant for PLK4 kinase domain
50034019	50	ChEMBL_774557 (CHEMBL1908774)	Binding constant for DAPK2 kinase domain
50034019	51	ChEMBL_774558 (CHEMBL1908775)	Binding constant for SRPK3 kinase domain
50034019	52	ChEMBL_774559 (CHEMBL1908776)	Binding constant for NEK6 kinase domain
50034019	53	ChEMBL_774560 (CHEMBL1908777)	Binding constant for EIF2AK1 kinase domain
50034019	55	ChEMBL_774562 (CHEMBL1908779)	Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain
50034019	56	ChEMBL_774563 (CHEMBL1908780)	Binding constant for LATS2 kinase domain
50034019	57	ChEMBL_774564 (CHEMBL1908781)	Binding constant for HUNK kinase domain
50034019	58	ChEMBL_774565 (CHEMBL1908782)	Binding constant for ULK2 kinase domain
50034019	59	ChEMBL_774566 (CHEMBL1908783)	Binding constant for SLK kinase domain
50034019	60	ChEMBL_774567 (CHEMBL1908784)	Binding constant for MELK kinase domain
50034019	61	ChEMBL_774568 (CHEMBL1908785)	Binding constant for ARK5 kinase domain
50034019	63	ChEMBL_774570 (CHEMBL1908787)	Binding constant for ICK kinase domain
50034019	64	ChEMBL_774571 (CHEMBL1908788)	Binding constant for MAST1 kinase domain
50034019	65	ChEMBL_774572 (CHEMBL1908789)	Binding constant for NDR2 kinase domain
50034019	66	ChEMBL_774573 (CHEMBL1908790)	Binding constant for TNIK kinase domain
50034019	67	ChEMBL_774574 (CHEMBL1908791)	Binding constant for CDK11 kinase domain
50034019	68	ChEMBL_774575 (CHEMBL1908792)	Binding constant for SIK2 kinase domain
50034019	69	ChEMBL_774576 (CHEMBL1908793)	Binding constant for STK36 kinase domain
50036090	16	ChEMBL_32565 (CHEMBL645699)	The compound was tested for its binding affinity towards alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortexc
50034019	71	ChEMBL_774578 (CHEMBL1908795)	Binding constant for IRAK4 kinase domain
50034019	72	ChEMBL_774579 (CHEMBL1908796)	Binding constant for TAOK2 kinase domain
50034019	73	ChEMBL_774580 (CHEMBL1908797)	Binding constant for NLK kinase domain
50034019	74	ChEMBL_774581 (CHEMBL1908798)	Binding constant for TAOK3 kinase domain
50034019	76	ChEMBL_774583 (CHEMBL1908800)	Binding constant for MST4 kinase domain
50034019	77	ChEMBL_774584 (CHEMBL1908801)	Binding constant for MYO3A kinase domain
50034019	78	ChEMBL_774585 (CHEMBL1908802)	Binding constant for EPHB2 kinase domain
50034019	79	ChEMBL_774586 (CHEMBL1908803)	Binding constant for MARK2 kinase domain
50034019	80	ChEMBL_774335 (CHEMBL1908552)	Binding constant for FRK kinase domain
50034019	81	ChEMBL_774336 (CHEMBL1908553)	Binding constant for GSK3B kinase domain
50034019	82	ChEMBL_774337 (CHEMBL1908554)	Binding constant for HCK kinase domain
50034019	85	ChEMBL_774340 (CHEMBL1908557)	Binding constant for VEGFR2 kinase domain
50034019	86	ChEMBL_774341 (CHEMBL1908558)	Binding constant for LIMK1 kinase domain
50034019	87	ChEMBL_774342 (CHEMBL1908559)	Binding constant for LYN kinase domain
50036090	18	ChEMBL_800 (CHEMBL615404)	The binding affinity was measured on serotonin 5-hydroxytryptamine 1 receptor in rat brain tissue
50034019	89	ChEMBL_774344 (CHEMBL1908561)	Binding constant for CTK kinase domain
50034019	90	ChEMBL_774345 (CHEMBL1908562)	Binding constant for MAP3K3 kinase domain
50034019	91	ChEMBL_774346 (CHEMBL1908563)	Binding constant for MLK3 kinase domain
50034019	92	ChEMBL_774347 (CHEMBL1908564)	Binding constant for MLK2 kinase domain
50034019	94	ChEMBL_774349 (CHEMBL1908566)	Binding constant for NEK2 kinase domain
50034019	95	ChEMBL_774350 (CHEMBL1908567)	Binding constant for NEK3 kinase domain
50034019	96	ChEMBL_774351 (CHEMBL1908568)	Binding constant for PAK1 kinase domain
50034019	97	ChEMBL_774352 (CHEMBL1908569)	Binding constant for PAK2 kinase domain
50034019	98	ChEMBL_774353 (CHEMBL1908570)	Binding constant for PAK3 kinase domain
50034019	99	ChEMBL_774354 (CHEMBL1908571)	Binding constant for PCTK3 kinase domain
50034019	100	ChEMBL_774355 (CHEMBL1908572)	Binding constant for PDGFRB kinase domain
50034019	101	ChEMBL_774356 (CHEMBL1908573)	Binding constant for PDPK1 kinase domain
50034019	102	ChEMBL_774357 (CHEMBL1908574)	Binding constant for PIK3C2B kinase domain
50034019	103	ChEMBL_774358 (CHEMBL1908575)	Binding constant for PIM1 kinase domain
50034019	104	ChEMBL_774359 (CHEMBL1908576)	Binding constant for PIK3CG kinase domain
50034019	105	ChEMBL_774360 (CHEMBL1908577)	Binding constant for PIK4CB kinase domain
50034019	106	ChEMBL_774361 (CHEMBL1908578)	Binding constant for PKAC-alpha kinase domain
50034019	107	ChEMBL_774362 (CHEMBL1908579)	Binding constant for PKAC-beta kinase domain
50034019	108	ChEMBL_774363 (CHEMBL1908580)	Binding constant for PRKCI kinase domain
50034019	109	ChEMBL_774364 (CHEMBL1908581)	Binding constant for PRKD1 kinase domain
50034019	110	ChEMBL_774365 (CHEMBL1908582)	Binding constant for ERK1 kinase domain
50034019	111	ChEMBL_774366 (CHEMBL1908583)	Binding constant for ERK4 kinase domain
50034019	112	ChEMBL_774367 (CHEMBL1908584)	Binding constant for ERK3 kinase domain
50034019	113	ChEMBL_774368 (CHEMBL1908585)	Binding constant for ERK5 kinase domain
50034019	114	ChEMBL_774369 (CHEMBL1908586)	Binding constant for JNK1 kinase domain
50034019	115	ChEMBL_774370 (CHEMBL1908587)	Binding constant for p38-beta kinase domain
50034019	116	ChEMBL_774371 (CHEMBL1908588)	Binding constant for JNK3 kinase domain
50034019	117	ChEMBL_774372 (CHEMBL1908589)	Binding constant for p38-delta kinase domain
50034019	118	ChEMBL_774373 (CHEMBL1908590)	Binding constant for MEK1 kinase domain
50034019	119	ChEMBL_774374 (CHEMBL1908591)	Binding constant for MEK3 kinase domain
50034019	120	ChEMBL_774375 (CHEMBL1908592)	Binding constant for MEK6 kinase domain
50034019	121	ChEMBL_774376 (CHEMBL1908593)	Binding constant for PRKR kinase domain
50034019	122	ChEMBL_774377 (CHEMBL1908594)	Binding constant for RAF1 kinase domain
50034019	123	ChEMBL_774378 (CHEMBL1908595)	Binding constant for GRK1 kinase domain
50034019	124	ChEMBL_774379 (CHEMBL1908596)	Binding constant for ROS1 kinase domain
50034019	125	ChEMBL_774380 (CHEMBL1908597)	Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain
50034019	127	ChEMBL_774382 (CHEMBL1908599)	Binding constant for MEK4 kinase domain
50034019	128	ChEMBL_774383 (CHEMBL1908600)	Binding constant for SRPK1 kinase domain
50034019	129	ChEMBL_774384 (CHEMBL1908601)	Binding constant for NEK4 kinase domain
50034019	130	ChEMBL_774385 (CHEMBL1908602)	Binding constant for CDKL5 kinase domain
50034019	131	ChEMBL_774386 (CHEMBL1908603)	Binding constant for S6K1 kinase domain
50034019	132	ChEMBL_774387 (CHEMBL1908604)	Binding constant for SYK kinase domain
50034019	133	ChEMBL_774388 (CHEMBL1908605)	Binding constant for TEC kinase domain
50034019	134	ChEMBL_774389 (CHEMBL1908606)	Binding constant for TGFBR2 kinase domain
50034019	135	ChEMBL_774390 (CHEMBL1908607)	Binding constant for TTK kinase domain
50034019	136	ChEMBL_774391 (CHEMBL1908608)	Binding constant for TXK kinase domain
50034019	138	ChEMBL_774393 (CHEMBL1908610)	Binding constant for TYK2(JH2domain-pseudokinase) kinase domain
50034019	139	ChEMBL_774394 (CHEMBL1908611)	Binding constant for WEE1 kinase domain
50034019	140	ChEMBL_774395 (CHEMBL1908612)	Binding constant for PIP5K2B kinase domain
50034019	141	ChEMBL_774396 (CHEMBL1908613)	Binding constant for ULK1 kinase domain
50034019	142	ChEMBL_774397 (CHEMBL1908614)	Binding constant for MST3 kinase domain
50034019	143	ChEMBL_774398 (CHEMBL1908615)	Binding constant for DYRK2 kinase domain
50034019	144	ChEMBL_774399 (CHEMBL1908616)	Binding constant for AURKA kinase domain
50034019	145	ChEMBL_774400 (CHEMBL1908617)	Binding constant for MRCKA kinase domain
50034019	146	ChEMBL_774401 (CHEMBL1908618)	Binding constant for MAP4K3 kinase domain
50034019	147	ChEMBL_774402 (CHEMBL1908619)	Binding constant for CAMK1 kinase domain
50034019	148	ChEMBL_774403 (CHEMBL1908620)	Binding constant for MAPKAPK5 kinase domain
50034019	149	ChEMBL_774229 (CHEMBL1908446)	Binding constant for CASK kinase domain
50034019	150	ChEMBL_774241 (CHEMBL1908458)	Binding constant for CDC2L5 kinase domain
50034019	151	ChEMBL_774404 (CHEMBL1908621)	Binding constant for RIPK1 kinase domain
50034019	152	ChEMBL_774405 (CHEMBL1908622)	Binding constant for RIPK2 kinase domain
50034019	153	ChEMBL_774406 (CHEMBL1908623)	Binding constant for RIOK3 kinase domain
50034019	154	ChEMBL_774230 (CHEMBL1908447)	Binding constant for PRP4 kinase domain
50034019	156	ChEMBL_774409 (CHEMBL1908626)	Binding constant for BRSK2 kinase domain
50034019	158	ChEMBL_774588 (CHEMBL1908805)	Binding constant for MKNK2 kinase domain
50034019	159	ChEMBL_774589 (CHEMBL1908806)	Binding constant for BIKE kinase domain
50034019	160	ChEMBL_774590 (CHEMBL1908807)	Binding constant for TRPM6 kinase domain
50034019	161	ChEMBL_774591 (CHEMBL1908808)	Binding constant for RIOK2 kinase domain
50034019	162	ChEMBL_774592 (CHEMBL1908809)	Binding constant for YANK2 kinase domain
50034019	163	ChEMBL_774593 (CHEMBL1908810)	Binding constant for MARK1 kinase domain
50034019	164	ChEMBL_774594 (CHEMBL1908811)	Binding constant for GSK3A kinase domain
50034019	165	ChEMBL_774595 (CHEMBL1908812)	Binding constant for PAK6 kinase domain
50034019	166	ChEMBL_774596 (CHEMBL1908813)	Binding constant for ADCK3 kinase domain
50034019	167	ChEMBL_774597 (CHEMBL1908814)	Binding constant for PAK7 kinase domain
50034019	168	ChEMBL_774598 (CHEMBL1908815)	Binding constant for CAMK1D kinase domain
50034019	169	ChEMBL_774599 (CHEMBL1908816)	Binding constant for CAMK1G kinase domain
50034019	170	ChEMBL_774600 (CHEMBL1908817)	Binding constant for EPHA8 kinase domain
50034019	174	ChEMBL_774603 (CHEMBL1908820)	Binding constant for RET(V804L) kinase domain
50034019	175	ChEMBL_774243 (CHEMBL1908460)	Binding constant for RIPK4 kinase domain
50034019	176	ChEMBL_774606 (CHEMBL1908823)	Binding constant for TAOK1 kinase domain
50034019	178	ChEMBL_774608 (CHEMBL1908825)	Binding constant for CSNK1G1 kinase domain
50034019	179	ChEMBL_774609 (CHEMBL1908826)	Binding constant for HIPK2 kinase domain
50034019	180	ChEMBL_774610 (CHEMBL1908827)	Binding constant for FGFR4 kinase domain
50034019	181	ChEMBL_774611 (CHEMBL1908828)	Binding constant for FGFR2 kinase domain
50034019	182	ChEMBL_774612 (CHEMBL1908829)	Binding constant for FGFR1 kinase domain
50034019	184	ChEMBL_774614 (CHEMBL1908831)	Binding constant for PIP5K2C kinase domain
50034019	185	ChEMBL_774615 (CHEMBL1908832)	Binding constant for ADCK4 kinase domain
50034019	186	ChEMBL_774616 (CHEMBL1908833)	Binding constant for YSK4 kinase domain
50034019	187	ChEMBL_774617 (CHEMBL1908834)	Binding constant for MEK2 kinase domain
50034019	188	ChEMBL_774618 (CHEMBL1908835)	Binding constant for STK33 kinase domain
50034019	189	ChEMBL_774619 (CHEMBL1908836)	Binding constant for SNARK kinase domain
50034019	190	ChEMBL_774620 (CHEMBL1908837)	Binding constant for MARK4 kinase domain
50034019	191	ChEMBL_774621 (CHEMBL1908838)	Binding constant for RIOK1 kinase domain
50034019	192	ChEMBL_774622 (CHEMBL1908839)	Binding constant for TSSK1B kinase domain
50034019	194	ChEMBL_774183 (CHEMBL1908400)	Binding constant for MAPKAPK2 kinase domain
50034019	195	ChEMBL_774184 (CHEMBL1908401)	Binding constant for NEK9 kinase domain
50034019	196	ChEMBL_774186 (CHEMBL1908403)	Binding constant for MLK1 kinase domain
50034019	197	ChEMBL_774187 (CHEMBL1908404)	Binding constant for DCAMKL3 kinase domain
50034019	198	ChEMBL_774233 (CHEMBL1908450)	Binding constant for PKNB(M.tuberculosis) kinase domain
50034019	199	ChEMBL_774188 (CHEMBL1908405)	Binding constant for CDC2L1 kinase domain
50034019	201	ChEMBL_774190 (CHEMBL1908407)	Binding constant for SRMS kinase domain
50034019	202	ChEMBL_774191 (CHEMBL1908408)	Binding constant for STK35 kinase domain
50034019	203	ChEMBL_774192 (CHEMBL1908409)	Binding constant for DYRK1A kinase domain
50034019	204	ChEMBL_774234 (CHEMBL1908451)	Binding constant for NEK7 kinase domain
50034019	205	ChEMBL_774235 (CHEMBL1908452)	Binding constant for ZAK kinase domain
50034019	206	ChEMBL_774193 (CHEMBL1908410)	Binding constant for ERK2 kinase domain
50034019	212	ChEMBL_774265 (CHEMBL1908482)	Binding constant for JAK3(JH1domain-catalytic) kinase domain
50000021	9	ChEMBL_216510 (CHEMBL819320)	Inhibition of human blood platelet c-AMP phosphodiesterase
50034019	224	ChEMBL_774277 (CHEMBL1908494)	Binding constant for PHKG2 kinase domain
50034019	225	ChEMBL_774278 (CHEMBL1908495)	Binding constant for LKB1 kinase domain
50034019	226	ChEMBL_774279 (CHEMBL1908496)	Binding constant for TIE2 kinase domain
50034019	227	ChEMBL_774280 (CHEMBL1908497)	Binding constant for IGF1R kinase domain
50034019	228	ChEMBL_774281 (CHEMBL1908498)	Binding constant for MAP3K15 kinase domain
50034019	229	ChEMBL_774282 (CHEMBL1908499)	Binding constant for PIM3 kinase domain
50034019	230	ChEMBL_774283 (CHEMBL1908500)	Binding constant for CHEK2 kinase domain
50034019	231	ChEMBL_774284 (CHEMBL1908501)	Binding constant for ERBB2 kinase domain
50034019	232	ChEMBL_774607 (CHEMBL1908824)	Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain
50034019	234	ChEMBL_774287 (CHEMBL1908504)	Binding constant for TNK2 kinase domain
50034019	235	ChEMBL_774288 (CHEMBL1908505)	Binding constant for TRKA kinase domain
50034019	236	ChEMBL_774289 (CHEMBL1908506)	Binding constant for MYLK4 kinase domain
50000021	11	ChEMBL_216509 (CHEMBL819319)	Inhibition of human blood platelet c-AMP phosphodiesterase
50034019	238	ChEMBL_774291 (CHEMBL1908508)	Binding constant for PAK4 kinase domain
50034019	239	ChEMBL_774292 (CHEMBL1908509)	Binding constant for SBK1 kinase domain
50034019	241	ChEMBL_774294 (CHEMBL1908511)	Binding constant for DCAMKL2 kinase domain
50034019	242	ChEMBL_774207 (CHEMBL1908424)	Binding constant for FYN kinase domain
50034019	243	ChEMBL_774504 (CHEMBL1908721)	Binding constant for PRKD3 kinase domain
50034019	244	ChEMBL_774505 (CHEMBL1908722)	Binding constant for MAK kinase domain
50034019	245	ChEMBL_774506 (CHEMBL1908723)	Binding constant for MAP3K1 kinase domain
50000021	8	ChEMBL_216511 (CHEMBL819321)	Inhibition of human blood platelet c-AMP phosphodiesterase
50034019	247	ChEMBL_774508 (CHEMBL1908725)	Binding constant for ASK1 kinase domain
50034019	248	ChEMBL_774509 (CHEMBL1908726)	Binding constant for BRK kinase domain
50034019	249	ChEMBL_774510 (CHEMBL1908727)	Binding constant for LOK kinase domain
50034019	250	ChEMBL_774511 (CHEMBL1908728)	Binding constant for MRCKB kinase domain
50034019	251	ChEMBL_774512 (CHEMBL1908729)	Binding constant for TRKB kinase domain
50034019	252	ChEMBL_774513 (CHEMBL1908730)	Binding constant for PCTK1 kinase domain
50034019	253	ChEMBL_774514 (CHEMBL1908731)	Binding constant for PDGFRA kinase domain
50034019	254	ChEMBL_774515 (CHEMBL1908732)	Binding constant for PHKG1 kinase domain
50000021	10	ChEMBL_216508 (CHEMBL819318)	Inhibition of human blood platelet c-AMP phosphodiesterase
50036093	10	ChEMBL_2364 (CHEMBL617438)	Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as radioligand
50034019	264	ChEMBL_774475 (CHEMBL1908692)	Binding constant for CSF1R kinase domain
50036093	8	ChEMBL_2102 (CHEMBL617138)	Compound was tested for binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as radioligand
50034019	278	ChEMBL_774489 (CHEMBL1908706)	Binding constant for EPHA3 kinase domain
50034019	279	ChEMBL_774490 (CHEMBL1908707)	Binding constant for FER kinase domain
50034019	280	ChEMBL_774491 (CHEMBL1908708)	Binding constant for FGR kinase domain
50034019	281	ChEMBL_774492 (CHEMBL1908709)	Binding constant for GAK kinase domain
50034019	282	ChEMBL_774493 (CHEMBL1908710)	Binding constant for LCK kinase domain
50034019	283	ChEMBL_774494 (CHEMBL1908711)	Binding constant for PRKCE kinase domain
50034019	284	ChEMBL_774495 (CHEMBL1908712)	Binding constant for ROCK1 kinase domain
50034019	285	ChEMBL_774496 (CHEMBL1908713)	Binding constant for SRC kinase domain
50034019	286	ChEMBL_774497 (CHEMBL1908714)	Binding constant for TIE1 kinase domain
50034019	287	ChEMBL_774498 (CHEMBL1908715)	Binding constant for YES kinase domain
50034019	288	ChEMBL_774499 (CHEMBL1908716)	Binding constant for AKT3 kinase domain
50034019	289	ChEMBL_774500 (CHEMBL1908717)	Binding constant for ITK kinase domain
50034019	290	ChEMBL_774501 (CHEMBL1908718)	Binding constant for LIMK2 kinase domain
50034019	291	ChEMBL_774502 (CHEMBL1908719)	Binding constant for MUSK kinase domain
50034019	292	ChEMBL_774503 (CHEMBL1908720)	Binding constant for HIPK3 kinase domain
50036093	9	ChEMBL_2101 (CHEMBL617137)	Compound was tested for binding affinity towards 5-hydroxytryptamine 2 (5-hydroxytryptamine-2) receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]-ketanserin as radioligand
50034019	294	ChEMBL_774526 (CHEMBL1908743)	Binding constant for PIK3CB kinase domain
50034019	295	ChEMBL_774527 (CHEMBL1908744)	Binding constant for AMPK-alpha2 kinase domain
50034019	296	ChEMBL_774528 (CHEMBL1908745)	Binding constant for PRKCD kinase domain
50019160	2	ChEMBL_2306758	Inhibition of human ERG
50034019	208	ChEMBL_774260 (CHEMBL1908477)	Binding constant for CDK4-cyclinD1 kinase domain
50034019	210	ChEMBL_774262 (CHEMBL1908479)	Binding constant for FGFR3 kinase domain
50019160	3	ChEMBL_2306763	Inhibition of MCT4 in human NCI-H358 cells assessed as inhibition of lactate efflux incubated for 1 hr by FLIPR method
50019160	4	ChEMBL_2306764	Inhibition of MCT1 in human K562 cells assessed as inhibition of lactate efflux incubated for 1 hr by FLIPR method
50019160	5	ChEMBL_2306780	Binding affinity to MCT4 in human NCI-H358 cells assessed as target engagement at 68 degree C incubated for 30 mins by cellular thermal shift assay
50034019	220	ChEMBL_774266 (CHEMBL1908483)	Binding constant for KIT kinase domain
50019161	1	ChEMBL_2306819	Displacement of [3H]-Epibatidine from alpha3beta4 nAChR (unknown origin) expressed in SH-EP1 cell membrane assessed as inhibition constant by beta counter method
50034019	298	ChEMBL_774410 (CHEMBL1908627)	Binding constant for TNK1 kinase domain
50034019	299	ChEMBL_774411 (CHEMBL1908628)	Binding constant for CLK3 kinase domain
50034019	300	ChEMBL_774412 (CHEMBL1908629)	Binding constant for CLK2 kinase domain
50034019	301	ChEMBL_774413 (CHEMBL1908630)	Binding constant for PLK3 kinase domain
50048892	1	ChEMBL_36174 (CHEMBL646986)	Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.
50034019	309	ChEMBL_774421 (CHEMBL1908638)	Binding constant for CDKL1 kinase domain
50048892	2	ChEMBL_36175 (CHEMBL646987)	Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membrane preparations of guinea pig adrenal glands
50034019	310	ChEMBL_774295 (CHEMBL1908512)	Binding constant for ERBB4 kinase domain
50034019	311	ChEMBL_774296 (CHEMBL1908513)	Binding constant for HPK1 kinase domain
50034019	314	ChEMBL_774298 (CHEMBL1908515)	Binding constant for ULK3 kinase domain
50034019	315	ChEMBL_774299 (CHEMBL1908516)	Binding constant for ACVR1 kinase domain
50034019	316	ChEMBL_774300 (CHEMBL1908517)	Binding constant for ACVR2B kinase domain
50034019	317	ChEMBL_774301 (CHEMBL1908518)	Binding constant for YANK1 kinase domain
50034019	318	ChEMBL_774302 (CHEMBL1908519)	Binding constant for CDKL3 kinase domain
50034019	319	ChEMBL_774303 (CHEMBL1908520)	Binding constant for MKNK1 kinase domain
50034019	320	ChEMBL_774304 (CHEMBL1908521)	Binding constant for PIP5K1A kinase domain
50034019	321	ChEMBL_774305 (CHEMBL1908522)	Binding constant for BMPR1B kinase domain
50034019	322	ChEMBL_774306 (CHEMBL1908523)	Binding constant for BMPR2 kinase domain
50034019	324	ChEMBL_774308 (CHEMBL1908525)	Binding constant for CDK3 kinase domain
50034019	325	ChEMBL_774309 (CHEMBL1908526)	Binding constant for CDK8 kinase domain
50034019	326	ChEMBL_774310 (CHEMBL1908527)	Binding constant for CDK9 kinase domain
50034019	329	ChEMBL_774313 (CHEMBL1908530)	Binding constant for CSNK1G2 kinase domain
50034019	330	ChEMBL_774314 (CHEMBL1908531)	Binding constant for DAPK3 kinase domain
50034019	331	ChEMBL_774315 (CHEMBL1908532)	Binding constant for ERN1 kinase domain
50034019	332	ChEMBL_774316 (CHEMBL1908533)	Binding constant for IKK-beta kinase domain
50034019	333	ChEMBL_774317 (CHEMBL1908534)	Binding constant for IRAK1 kinase domain
50034019	334	ChEMBL_774318 (CHEMBL1908535)	Binding constant for ACVR2A kinase domain
50034019	335	ChEMBL_774319 (CHEMBL1908536)	Binding constant for AKT2 kinase domain
50034019	336	ChEMBL_774320 (CHEMBL1908537)	Binding constant for AXL kinase domain
50034019	337	ChEMBL_774321 (CHEMBL1908538)	Binding constant for BLK kinase domain
50034019	338	ChEMBL_774322 (CHEMBL1908539)	Binding constant for BMX kinase domain
50034019	339	ChEMBL_774323 (CHEMBL1908540)	Binding constant for CAMK4 kinase domain
50034019	340	ChEMBL_774324 (CHEMBL1908541)	Binding constant for CDK2 kinase domain
50034019	341	ChEMBL_774325 (CHEMBL1908542)	Binding constant for CDK7 kinase domain
50034019	342	ChEMBL_774326 (CHEMBL1908543)	Binding constant for CSNK1A1 kinase domain
50034019	343	ChEMBL_774327 (CHEMBL1908544)	Binding constant for CSNK1E kinase domain
50034019	344	ChEMBL_774328 (CHEMBL1908545)	Binding constant for CSNK2A1 kinase domain
50034019	345	ChEMBL_774329 (CHEMBL1908546)	Binding constant for CSNK2A2 kinase domain
50034019	346	ChEMBL_774330 (CHEMBL1908547)	Binding constant for DDR1 kinase domain
50034019	347	ChEMBL_774331 (CHEMBL1908548)	Binding constant for ERBB3 kinase domain
50034019	348	ChEMBL_774332 (CHEMBL1908549)	Binding constant for FES kinase domain
50034019	349	ChEMBL_774333 (CHEMBL1908550)	Binding constant for FLT1 kinase domain
50034019	84	ChEMBL_774339 (CHEMBL1908556)	Binding constant for JAK1(JH1domain-catalytic) kinase domain
50034019	352	ChEMBL_774253 (CHEMBL1908470)	Binding constant for AMPK-alpha1 kinase domain
50034019	353	ChEMBL_774254 (CHEMBL1908471)	Binding constant for QSK kinase domain
50034019	354	ChEMBL_774255 (CHEMBL1908472)	Binding constant for STK16 kinase domain
50034019	355	ChEMBL_774256 (CHEMBL1908473)	Binding constant for PCTK2 kinase domain
50034019	356	ChEMBL_774257 (CHEMBL1908474)	Binding constant for DDR2 kinase domain
50034019	357	ChEMBL_774258 (CHEMBL1908475)	Binding constant for ACVRL1 kinase domain
50034019	358	ChEMBL_774259 (CHEMBL1908476)	Binding constant for BTK kinase domain
50034019	233	ChEMBL_774407 (CHEMBL1908624)	Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain
50034019	359	ChEMBL_774185 (CHEMBL1908402)	Binding constant for MYLK2 kinase domain
50018121	1	ChEMBL_2264876	Inhibition of human CYP17A1
50036102	23	ChEMBL_30566 (CHEMBL649878)	Binding affinity against Adenosine A2 receptor using N-[3H]-ethyl adenosine-5-uronamide in rat striatal membranes
50036102	20	ChEMBL_30691 (CHEMBL646319)	Binding affinity against adenosine A2 receptor using N-[3H]-ethyl adenosine-5-uronamide in rat striatal membranes
50034019	360	ChEMBL_774236 (CHEMBL1908453)	Binding constant for MAP4K4 kinase domain
50034019	361	ChEMBL_774205 (CHEMBL1908422)	Binding constant for NEK11 kinase domain
50034019	362	ChEMBL_774206 (CHEMBL1908423)	Binding constant for HIPK1 kinase domain
50034019	363	ChEMBL_774208 (CHEMBL1908425)	Binding constant for NIM1 kinase domain
50034019	364	ChEMBL_774209 (CHEMBL1908426)	Binding constant for FAK kinase domain
50034019	366	ChEMBL_774211 (CHEMBL1908428)	Binding constant for CAMK2G kinase domain
50034019	367	ChEMBL_774212 (CHEMBL1908429)	Binding constant for PYK2 kinase domain
50034019	368	ChEMBL_774213 (CHEMBL1908430)	Binding constant for SIK kinase domain
50034019	369	ChEMBL_774214 (CHEMBL1908431)	Binding constant for YANK3 kinase domain
50034019	370	ChEMBL_774215 (CHEMBL1908432)	Binding constant for ANKK1 kinase domain
50034019	372	ChEMBL_774217 (CHEMBL1908434)	Binding constant for EPHA5 kinase domain
50034019	373	ChEMBL_774218 (CHEMBL1908435)	Binding constant for MLCK kinase domain
50034019	374	ChEMBL_774237 (CHEMBL1908454)	Binding constant for PKMYT1 kinase domain
50034019	375	ChEMBL_774219 (CHEMBL1908436)	Binding constant for GRK4 kinase domain
50034019	377	ChEMBL_774220 (CHEMBL1908437)	Binding constant for LRRK2 kinase domain
50034019	378	ChEMBL_774222 (CHEMBL1908439)	Binding constant for NEK5 kinase domain
50034019	379	ChEMBL_774223 (CHEMBL1908440)	Binding constant for LTK kinase domain
50034019	380	ChEMBL_774224 (CHEMBL1908441)	Binding constant for ZAP70 kinase domain
50034019	381	ChEMBL_774225 (CHEMBL1908442)	Binding constant for PKN1 kinase domain
50034019	382	ChEMBL_774226 (CHEMBL1908443)	Binding constant for WEE2 kinase domain
50034019	383	ChEMBL_774227 (CHEMBL1908444)	Binding constant for SgK110 kinase domain
50034019	384	ChEMBL_774238 (CHEMBL1908455)	Binding constant for RIPK5 kinase domain
50034019	385	ChEMBL_774239 (CHEMBL1908456)	Binding constant for PFCDPK1(P.falciparum) kinase domain
50034019	386	ChEMBL_774240 (CHEMBL1908457)	Binding constant for PFPK5(P.falciparum) kinase domain
50034019	387	ChEMBL_774244 (CHEMBL1908461)	Binding constant for CLK1 kinase domain
50034019	388	ChEMBL_774245 (CHEMBL1908462)	Binding constant for TRKC kinase domain
50034019	389	ChEMBL_774246 (CHEMBL1908463)	Binding constant for p38-gamma kinase domain
50034019	390	ChEMBL_774247 (CHEMBL1908464)	Binding constant for MERTK kinase domain
50034019	392	ChEMBL_774249 (CHEMBL1908466)	Binding constant for AURKC kinase domain
50034019	393	ChEMBL_774250 (CHEMBL1908467)	Binding constant for CAMK2D kinase domain
50036102	19	ChEMBL_30562 (CHEMBL649874)	Binding affinity against Adenosine A2 receptor N-[3H]-ethyladenosin-5''-uronamide in rat striatal membranes
50036102	24	ChEMBL_29292 (CHEMBL640353)	Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes
50048894	1	ChEMBL_65915 (CHEMBL677161)	Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells
50034019	394	ChEMBL_774251 (CHEMBL1908468)	Binding constant for TLK2 kinase domain
50036103	11	ChEMBL_34591 (CHEMBL645550)	Binding affinity towards Alpha-1 adrenergic receptor of rat brain
50036103	8	ChEMBL_34236 (CHEMBL873183)	Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain
50036103	7	ChEMBL_34228 (CHEMBL648722)	Binding affinity towards Alpha-2 adrenergic receptor of rat brain
50034019	395	ChEMBL_774439 (CHEMBL1908656)	Binding constant for MAP4K2 kinase domain
50034019	396	ChEMBL_774440 (CHEMBL1908657)	Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain
50034019	397	ChEMBL_774441 (CHEMBL1908658)	Binding constant for TGFBR1 kinase domain
50034019	398	ChEMBL_774442 (CHEMBL1908659)	Binding constant for ASK2 kinase domain
50034019	399	ChEMBL_774443 (CHEMBL1908660)	Binding constant for LATS1 kinase domain
50034019	400	ChEMBL_774444 (CHEMBL1908661)	Binding constant for DYRK1B kinase domain
50034019	401	ChEMBL_774445 (CHEMBL1908662)	Binding constant for LZK kinase domain
50034019	402	ChEMBL_774446 (CHEMBL1908663)	Binding constant for DCAMKL1 kinase domain
50034019	403	ChEMBL_774447 (CHEMBL1908664)	Binding constant for RPS6KA5(Kin.Dom.2-C-terminal) kinase domain
50036103	9	ChEMBL_34233 (CHEMBL648727)	Binding affinity towards alpha-2 adrenergic receptor of rat brain
50034019	404	ChEMBL_774408 (CHEMBL1908625)	Binding constant for CDKL2 kinase domain
50036103	10	ChEMBL_34592 (CHEMBL645551)	Compound was evaluated for alpha adrenergic binding affinity towards alpha-1 receptor of rat brain
50048895	1	ChEMBL_76088 (CHEMBL858329)	In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.
50048896	1	ChEMBL_211321 (CHEMBL818980)	Concentration required to inhibit the extent of glutamate-dependent tubulin polymerization by 50% at 37 degrees C(1.0 mM MgCl2)
50048896	2	ChEMBL_211320 (CHEMBL818979)	Inhibition of glutamate-dependent tubulin polymerization at 30 degrees C(0.25 mM MgCl2)
50034019	16	ChEMBL_774427 (CHEMBL1908644)	Binding constant for BRAF(V600E) kinase domain
50034019	407	ChEMBL_774450 (CHEMBL1908667)	Binding constant for CDK5 kinase domain
50034019	409	ChEMBL_774452 (CHEMBL1908669)	Binding constant for MTOR kinase domain
50034019	410	ChEMBL_774453 (CHEMBL1908670)	Binding constant for JAK2(JH1domain-catalytic) kinase domain
50034019	411	ChEMBL_774454 (CHEMBL1908671)	Binding constant for PIK3CD kinase domain
50034019	412	ChEMBL_774455 (CHEMBL1908672)	Binding constant for PLK1 kinase domain
50034019	413	ChEMBL_774456 (CHEMBL1908673)	Binding constant for PRKX kinase domain
50034019	414	ChEMBL_774457 (CHEMBL1908674)	Binding constant for OSR1 kinase domain
50034019	256	ChEMBL_774517 (CHEMBL1908734)	Binding constant for PIK3CA(C420R) kinase domain
50000141	4	ChEMBL_1911 (CHEMBL616966)	Inhibition of [3H]ketanserin binding to rat 5-hydroxytryptamine 2 receptors.
50000141	3	ChEMBL_1913 (CHEMBL616968)	Inhibition of [3H]ketanserin binding to dopamine 5-hydroxytryptamine 2 receptor
50034019	430	ChEMBL_774473 (CHEMBL1908690)	Binding constant for ABL2 kinase domain
50034019	431	ChEMBL_774474 (CHEMBL1908691)	Binding constant for AKT1 kinase domain
50034019	417	ChEMBL_774459 (CHEMBL1908676)	Binding constant for ABL1(F317I)-non phosphorylated kinase domain
50036108	21	ChEMBL_62164 (CHEMBL675007)	Inhibition of [3H]BTCP binding to the dopamine transporter.
50034019	432	ChEMBL_774194 (CHEMBL1908411)	Binding constant for p38-alpha kinase domain
50034019	433	ChEMBL_774195 (CHEMBL1908412)	Binding constant for ERK8 kinase domain
50034019	434	ChEMBL_774196 (CHEMBL1908413)	Binding constant for CSNK1D kinase domain
50034019	435	ChEMBL_774197 (CHEMBL1908414)	Binding constant for JNK2 kinase domain
50034019	436	ChEMBL_774198 (CHEMBL1908415)	Binding constant for PFTAIRE2 kinase domain
50034019	437	ChEMBL_774199 (CHEMBL1908416)	Binding constant for GRK7 kinase domain
50034019	438	ChEMBL_774200 (CHEMBL1908417)	Binding constant for HIPK4 kinase domain
50034019	439	ChEMBL_774202 (CHEMBL1908419)	Binding constant for MKK7 kinase domain
50034019	440	ChEMBL_774203 (CHEMBL1908420)	Binding constant for CSNK1A1L kinase domain
50034019	441	ChEMBL_774204 (CHEMBL1908421)	Binding constant for TAK1 kinase domain
50048897	1	ChEMBL_138780 (CHEMBL747408)	In vitro inhibition of [3H]OXO-M binding to Muscarinic receptor from rat cortical homogenates
50048897	2	ChEMBL_138783 (CHEMBL747411)	Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]QNB as radioligand
50048897	3	ChEMBL_138782 (CHEMBL747410)	Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]OXO-M as radioligand
50048897	4	ChEMBL_138781 (CHEMBL747409)	In vitro inhibition of [3H]QNB binding to Muscarinic receptor from rat cortical homogenates
50034019	442	ChEMBL_774201 (CHEMBL1908418)	Binding constant for MEK5 kinase domain
50036111	10	ChEMBL_159479 (CHEMBL769439)	Inhibitory activity of the Compound was tested against HIV protease enzyme (by Dixon analysis)
50036112	3	ChEMBL_28305 (CHEMBL875789)	In vitro inhibitory activity against human AchE (Acetylcholinesterase)
50036115	16	ChEMBL_799 (CHEMBL615403)	The ability to inhibit [3H]5-HT binding to 5-hydroxytryptamine 1 receptor in rat cortex
50036115	17	ChEMBL_58795 (CHEMBL667037)	The ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striata
50036115	13	ChEMBL_38890 (CHEMBL651237)	The ability to inhibit [3H]dihydroalprenolol prenolol binding to Beta adrenergic receptor in rat whole brain
50036115	14	ChEMBL_3005 (CHEMBL619795)	The ability to inhibit [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortices
50036115	18	ChEMBL_63053 (CHEMBL673620)	The ability to inhibit [3H]domperidone binding to dopamine receptor D2 in rat striata
50034019	306	ChEMBL_774416 (CHEMBL1908633)	Binding constant for FLT3(D835Y) kinase domain
50036115	19	ChEMBL_33282 (CHEMBL644242)	The ability to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat whole brain
50036116	10	ChEMBL_64189 (CHEMBL676550)	Compound was evaluated for the binding affinity to Endothelin B receptor in the rat hippocampus
50048899	1	ChEMBL_48424 (CHEMBL660352)	Cholecystokinin type B receptor binding assay performed on homogenized cerebral cortex from male mouse
50036125	5	ChEMBL_48768 (CHEMBL665963)	Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane
50036125	6	ChEMBL_48094 (CHEMBL663081)	Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane
50048901	1	ChEMBL_152965 (CHEMBL760358)	Inhibition of protein kinase C (PKC) purified from rat brain
50036129	5	ChEMBL_581 (CHEMBL615451)	Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand
50036129	6	ChEMBL_62562 (CHEMBL671493)	Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand
50036130	1	ChEMBL_198268 (CHEMBL802440)	Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles
50006295	7	ChEMBL_30722 (CHEMBL643771)	Binding affinity at A2 adenosine receptor in rat brain
50034019	223	ChEMBL_774275 (CHEMBL1908492)	Binding constant for MET(M1250T) kinase domain
50006295	8	ChEMBL_29456 (CHEMBL641041)	Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand
50006299	8	ChEMBL_27753 (CHEMBL641989)	Binding affinity against adenosine A2 receptor of striatal membrane using [3H]CGS-21680 as a radioligand
50006299	7	ChEMBL_217394 (CHEMBL824111)	Inhibition of cyclic AMP-phosphodiesterase ( PDE) in the supernatant of tracheal muscle homogenate
50006299	6	ChEMBL_27752 (CHEMBL641988)	Binding affinity against Adenosine A2 receptor of striatal membrane using [3H]CGS-21680
50006299	9	ChEMBL_217393 (CHEMBL824110)	Inhibition of cAMP-phosphodiesterase (PDE) from trachealis muscle homogenate supernatant
50036131	4	ChEMBL_154406 (CHEMBL759168)	Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle
50036131	3	ChEMBL_154410 (CHEMBL759172)	In vitro inhibition of PDE-IV isolated from guinea pig ventricle.
50006310	2	ChEMBL_2136 (CHEMBL617219)	Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.
50006313	13	ChEMBL_33987 (CHEMBL643444)	In vitro binding affinity towards the anor-adrenergic alpha-1 receptor at 10 e-6 M
50006313	14	ChEMBL_33988 (CHEMBL643445)	In vitro binding affinity towards the noradrenergic alpha-1 receptor at 10 e-6 M
50006313	12	ChEMBL_1924 (CHEMBL616978)	In vitro binding affinity towards the 5-hydroxytryptamine 2 receptor at 10 e-6 M
50006313	9	ChEMBL_33986 (CHEMBL645251)	In vitro binding affinity towards the alpha-1 receptor at 10 e-6 M
50006313	11	ChEMBL_223256 (CHEMBL874053)	In vitro binding affinity towards the noradrenergic alpha-2 receptor at 10 e-6 M
50006313	10	ChEMBL_223258 (CHEMBL845074)	In vitro binding affinity towards the noradrenergic beta receptor at 10 e-6 M
50006344	3	ChEMBL_158265 (CHEMBL762445)	Inhibition of Prostaglandin G/H synthase mediated PGF2-alpha formation in rat basophilic leukemia (RBL-1) cells
50036138	5	ChEMBL_30840 (CHEMBL645403)	Inhibition of horse liver alcohol dehydrogenase enzyme by non-competitive inhibition
50036138	6	ChEMBL_30841 (CHEMBL645404)	Inhibition of horse liver alcohol dehydrogenase enzyme by Non-competitive inhibition
50048905	1	ChEMBL_34827 (CHEMBL648761)	Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries
50006351	4	ChEMBL_35279 (CHEMBL647843)	In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus.
50048906	1	ChEMBL_2182 (CHEMBL617009)	Binding affinity for 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- ketanserin
50048906	2	ChEMBL_2227 (CHEMBL617172)	Binding affinity for 5-hydroxytryptamine 2 receptor was determined
50048906	3	ChEMBL_1984 (CHEMBL617588)	Binding affinity for 5-hydroxytryptamine 1D receptor was determined
50048906	4	ChEMBL_1081 (CHEMBL616404)	Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT
50048906	5	ChEMBL_1851 (CHEMBL616822)	Binding affinity for 5-hydroxytryptamine 1C receptor in piglet choroid plexus using [3H]5-HT
50048906	6	ChEMBL_1966 (CHEMBL617571)	Binding affinity for 5-hydroxytryptamine 1D receptor in piglet caudate using [3H]5-HT
50048906	7	ChEMBL_1879 (CHEMBL616476)	Binding affinity for 5-hydroxytryptamine 1C receptor was determined
50048906	8	ChEMBL_1556 (CHEMBL616377)	Binding affinity for 5-hydroxytryptamine 1A receptor was determined
50048907	1	ChEMBL_50468 (CHEMBL658171)	Inhibition of the gyrase mediated cleavage of supercoiled DNA
50005725	5	ChEMBL_2224 (CHEMBL617169)	In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.
50005725	6	ChEMBL_138211 (CHEMBL748440)	In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain.
50036143	2	ChEMBL_159976 (CHEMBL768123)	Binding affinity against HIV-1 aspartic proteinase was determined
50048908	1	ChEMBL_34207 (CHEMBL649224)	Binding affinity against alpha-2 adrenergic receptor by measuring displacement of [3H]clonidine from rat brain cortex membranes (in vitro).
50048908	2	ChEMBL_34425 (CHEMBL649429)	Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).
50048909	1	ChEBML_34973	Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor
50002367	1	ChEMBL_1760466 (CHEMBL4195474)	Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of R848-induced NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay
50048909	4	ChEMBL_34973 (CHEMBL649502)	Inhibitory concentration against binding of [125I]angiotensin II to rat liver expressing Angiotensin II receptor
50048909	2	ChEMBL_162637 (CHEMBL772135)	Inhibitory concentration against [125I]angiotensin II(AII) induced contraction in rabbit aorta by 50%
50048909	3	ChEMBL_35099 (CHEMBL884033)	Tested for inhibitory concentration against AT1 receptor binding affinity in rat liver
50048910	8	ChEMBL_35107 (CHEMBL649310)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1
50048910	9	ChEMBL_35110 (CHEMBL649312)	Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II
50048910	2	ChEBML_35109	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1
50048910	3	ChEBML_35107	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1
50048910	1	ChEBML_35110	Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II
50006085	10	ChEBML_138215	Tested for in vitro inhibition of the displacement of [3H]quinuclidinyl benzilate muscarinic receptor
50006085	11	ChEBML_138216	Tested for in vitro inhibition of the displacement of [3H]QNB from CNS receptor
50036149	9	ChEBML_27917	Binding affinity towards Adenosine A2 receptor of human platelets with [125I]-N6-aminobenzyladenosine
50036149	14	ChEBML_27615	Binding affinity against Adenosine A2 receptor from rhesus moneky striatum with N-[3H] ethyladenosin-5''-uronamide (NECA) and 30 nM (R)-PIA
50036149	13	ChEBML_27758	Binding affinity against Adenosine A2 receptor from human platelets with [125I]-N6-aminobenzyladenosine
50036149	11	ChEBML_30868	Binding affinity against Adenosine A2 receptor from rat striatal membranes with N-[3H] ethyladenosin-5'-uronamide
50036149	10	ChEBML_28962	Binding affinity against Adenosine A1 receptor from rat forebrain membranes with N6-[3H]- cyclohexyladenosine
50006087	6	ChEBML_2396	Tested for binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortical regions using [3H]ketanserin as radioligand
50036150	7	ChEBML_201715	Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand
50036150	2	ChEBML_58175	Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23,390 as radioligand
50036153	2	ChEBML_138210	Binding affinity against rat muscarinic receptor
50036154	6	ChEBML_64206	Binding affinity against Endothelin receptor from rat heart ventricle
50036154	10	ChEMBL_64206 (CHEMBL675445)	Binding affinity against Endothelin receptor from rat heart ventricle
50036154	11	ChEMBL_65829 (CHEMBL682962)	Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells
50048910	4	ChEMBL_35108 (CHEMBL876743)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat Angiotensin II receptor, type 1
50048910	10	ChEMBL_35109 (CHEMBL649311)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1
50048910	6	ChEMBL_35105 (CHEMBL649308)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1
50048910	5	ChEMBL_35106 (CHEMBL649309)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat Angiotensin II receptor, type 1
50048910	7	ChEMBL_35104 (CHEMBL649307)	Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat Angiotensin II receptor, type 1
50048911	1	ChEMBL_172937 (CHEMBL779974)	Effective concentration for [Ca2+] uptake into dorsal root ganglia neurones in rat cultured spinal sensory neurones
50048912	1	ChEMBL_173115 (CHEMBL779054)	In vitro effective concentration for Ca++ uptake into dorsal root ganglia neurones in culture
50048912	2	ChEMBL_173117 (CHEMBL779056)	In vitro effective concentration for [Ca2+] uptake into dorsal root ganglia neurones in culture
50036157	4	ChEMBL_284 (CHEMBL615722)	Displacement of binding of [3H]-5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex
50036157	2	ChEMBL_794 (CHEMBL615398)	Displacement of binding of [3H]5-HT to 5-hydroxytryptamine 1 receptor in rat cerebral cortex
50006173	4	ChEMBL_143174 (CHEMBL748050)	Tested for displacement of radioligand [3H]-Naloxone from opiate receptor; value ranges from 7-10 uM
50036158	3	ChEMBL_1938 (CHEMBL617246)	Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes
50048913	1	ChEMBL_208607 (CHEMBL812284)	Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay
50006183	18	ChEMBL_216106 (CHEMBL816029)	Tested for affinity against dopamine autoreceptor using [3H]apomorphine in rat brain
50006183	20	ChEMBL_220942 (CHEMBL824008)	Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in guinea pig cortical tissue
50006183	16	ChEMBL_217143 (CHEMBL822819)	Tested for affinity against alpha-2-adrenergic using [3H]clonidine in rat brain
50006183	15	ChEMBL_216303 (CHEMBL821065)	Tested for affinity against alpha-adrenergic using [3H]WB-4101 in rat brain
50036161	5	ChEMBL_143133 (CHEMBL744177)	Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brain
50036161	6	ChEMBL_201515 (CHEMBL806974)	Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain
50048914	8	ChEMBL_104761 (CHEMBL710993)	Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes
50048914	7	ChEMBL_162632 (CHEMBL878682)	Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.
50006190	27	ChEMBL_223416 (CHEMBL844028)	Inhibition of [3H]naxolone binding to opiate receptors in rat brain
50006190	29	ChEMBL_223415 (CHEMBL844027)	Tested for inhibitory activity by measuring its ability to displace [3H]3-PPP from opiate receptor in rat brain
50006190	33	ChEMBL_216305 (CHEMBL821067)	Inhibitory activity by measuring its ability to displace [3H]clonidine from alpha-adrenergic receptor in rat brain
50006190	31	ChEMBL_216306 (CHEMBL821068)	Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain
50006190	32	ChEMBL_216304 (CHEMBL821066)	Inhibitory activity by measuring its ability to displace [3H]WB-4101 from alpha-adrenergic receptor in rat brain
50006190	30	ChEMBL_226362 (CHEMBL847530)	Inhibitory activity by measuring its ability to displace [3H]ketanserin from serotonin receptor in rat brain
50006190	26	ChEMBL_215873 (CHEMBL821283)	Inhibitory activity by measuring its ability to displace [125I]pindolol from beta-adrenergic receptor in rat brain
50006190	28	ChEMBL_223736 (CHEMBL843740)	Displacement of [3H]naxolone from opiate receptor of rat brain
50048915	1	ChEMBL_46139 (CHEMBL876970)	Ability to displace [3H]HU-243 binding to cannabinoid receptor in synaptosomal membrane
50036166	7	ChEMBL_33577 (CHEMBL647128)	Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand
50036166	6	ChEMBL_33049 (CHEMBL648063)	Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand
50036166	8	ChEMBL_33461 (CHEMBL873483)	-log IC50 value against alpha-1 receptor in rat vas deferens
50036168	3	ChEMBL_147186 (CHEMBL754485)	Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations
50036168	4	ChEMBL_221945 (CHEMBL844218)	Tested for binding affinity against mu opioid receptor fby displacing [3H]- DAMGO radioligand from rat brain membrane preparations
50048916	1	ChEBML_155833	Inhibition of human platelet aggregation cAMP PDE in vitro
50005897	4	ChEMBL_27936 (CHEMBL649117)	Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand
50005911	3	ChEMBL_209653 (CHEMBL811593)	Inhibition of purified human thymidylate synthase (TS) isolated from an Escherichia coli harboring a plasmid with thy A gene cloned from SV40 transformed human fibroblast cells
50036176	2	ChEMBL_50813 (CHEMBL658013)	Effective concentration against DNA polymerase alpha
50036177	6	ChEMBL_829 (CHEMBL615829)	Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus
50048916	3	ChEMBL_155833 (CHEMBL768652)	Inhibition of human platelet aggregation cAMP PDE in vitro
50048916	2	ChEMBL_217014 (CHEMBL821549)	Inhibition of human blood platelet c-AMP phosphodiesterase
50048917	1	ChEMBL_155705 (CHEMBL857568)	Inhibition of partially-purified PDE 4 from human monocytes
50005934	43	ChEMBL_44706 (CHEMBL656595)	Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of rat brain
50005934	69	ChEMBL_218510 (CHEMBL824133)	The binding affinity was measured on leukotriene-6 receptor using [3H]- IL-6 as radioligand.
50005934	70	ChEMBL_48613 (CHEMBL659594)	The binding affinity was measured on cholecystokinin type B receptor using [3H]- CCK-8 as radioligand.
50005934	71	ChEMBL_63056 (CHEMBL673623)	The binding affinity was measured on dopamine receptor D2 using [3H]- spiperone as radioligand.
50005934	72	ChEMBL_101221 (CHEMBL711327)	The binding affinity was measured on muscarine M1 receptor using [3H]- pirenzepine as radioligand.
50005934	73	ChEMBL_222580 (CHEMBL846204)	The binding affinity was measured on muscarine M3 receptor using [3H]- N-Me-SCOPOL as radioligand.
50005934	74	ChEMBL_62899 (CHEMBL676138)	The binding affinity was measured on dopamine receptor D3 using [3H]- dopamine as radioligand.
50005934	75	ChEMBL_207481 (CHEMBL808364)	The binding affinity was measured on TRH receptor using [3H]- MeTRH as radioligand.
50036183	5	ChEMBL_216149 (CHEMBL817032)	In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex
50036183	6	ChEMBL_2389 (CHEMBL617667)	In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells
50036184	9	ChEMBL_31029 (CHEMBL638318)	Binding affinity for Adenosine A2 receptor using N-[3H]-ethyladenosine-5`-uronamide in presence of cyclopentyladenosine rat striatal membranes under usual light
50036184	10	ChEMBL_31028 (CHEMBL638317)	Binding affinity against Adenosine A2 receptor of striatal membrane using [3H]CGS-21680
50036184	5	ChEMBL_29140 (CHEMBL637561)	Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes under usual light
50036184	11	ChEMBL_29015 (CHEMBL643488)	Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes
50036185	2	ChEMBL_92774 (CHEMBL700074)	Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes
50036186	16	ChEMBL_217514 (CHEMBL822069)	Inhibition of [Ca(2+)]-calmodulin-dependent cGMP-phosphodiesterase 1 from porcine coronary arteries
50036186	17	ChEMBL_217515 (CHEMBL822070)	Inhibition of [Ca(2+)]-calmodulin-dependent cGMP-phosphodiesterase 1 from porcine coronary arteries
50036187	3	ChEMBL_162040 (CHEMBL766680)	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4 determined by measuring 3H release from [3H]-inosine
50005947	5	ChEMBL_217263 (CHEMBL824200)	Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells
50036188	2	ChEMBL_144597 (CHEMBL747372)	Inhibition of NEP 24.11 from rat kidney
50005957	3	ChEMBL_158426 (CHEMBL763067)	Inhibition of Prostaglandin G/H synthase activity in sheep seminal vesicle was determined 100 uM
50036190	6	ChEMBL_30085 (CHEMBL875242)	Displacement of [3H]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes
50036190	7	ChEMBL_30083 (CHEMBL642863)	Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes
50036190	5	ChEMBL_41763 (CHEMBL650213)	Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor
50048918	1	ChEMBL_74972 (CHEMBL684131)	Inhibition of [3H]LTB4 receptor binding in guinea pig lung membrane
50048918	2	ChEMBL_88179 (CHEMBL700859)	Inhibition of [3H]LTB4 receptor binding in human neutrophils
50048918	3	ChEMBL_74970 (CHEMBL684129)	In vitro inhibition of [3H]LTB4 receptor binding in guinea pig lung membrane
50048918	4	ChEMBL_88178 (CHEMBL700858)	Inhibition of LTB4-induced human neutrophil CD11b/CD18 integrin up-regulation
50005966	5	ChEMBL_35286 (CHEMBL647850)	Binding affinity towards Angiotensin II receptor, type 2 in rat isolated adrenal medullary microsomes
50005967	8	ChEBML_211254	Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue
50005967	10	ChEMBL_211079 (CHEMBL812860)	Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue
50034019	276	ChEMBL_774476 (CHEMBL1908693)	Binding constant for EGFR kinase domain
50005967	11	ChEMBL_211254 (CHEMBL817099)	Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue
50048919	1	ChEBML_1513	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.
50048919	3	ChEMBL_1513 (CHEMBL616345)	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.
50048919	4	ChEMBL_2187 (CHEMBL617013)	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.
50048919	2	ChEBML_2187	Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.
50048920	1	ChEMBL_1643866 (CHEMBL3992795)	Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048920	2	ChEBML_1643867	Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048920	3	ChEBML_1643868	Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048920	4	ChEMBL_1643864 (CHEMBL3992793)	Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1 measured every 1.52 secs for 90 secs by FLIPR assay
50048920	5	ChEBML_1643866	Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048920	6	ChEMBL_1643868 (CHEMBL3992797)	Agonist activity at human KOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048920	7	ChEMBL_1643865 (CHEMBL3992794)	Displacement of [3H]naloxone from recombinant human MOR expressed in HEK cell membranes incubated for 60 mins
50048920	8	ChEMBL_1643867 (CHEMBL3992796)	Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced adenylyl cyclase-mediated cAMP accumulation after 30 mins by HTRF assay
50048921	1	ChEMBL_1643898 (CHEMBL3992827)	Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay
50048921	2	ChEMBL_1643900 (CHEMBL3992829)	Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay
50048921	3	ChEMBL_1643899 (CHEMBL3992828)	Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay
50048921	4	ChEMBL_1643897 (CHEMBL3992826)	Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay
50048922	1	ChEMBL_1643937 (CHEMBL3992866)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every minute for fifteen minutes by Ellman's method
50048923	1	ChEMBL_1643986 (CHEMBL3992915)	Inhibition of full length recombinant human N-terminal HA-tagged/C-terminal FLAG-tagged TAAR1 expressed in CHOK1 cells assessed as increase in cAMP accumulation by AlphaScreen assay
50048923	2	ChEMBL_1643990 (CHEMBL3992919)	Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50048923	3	ChEMBL_1643991 (CHEMBL3992920)	Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50048923	4	ChEMBL_1643988 (CHEMBL3992917)	Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50048924	1	ChEMBL_1643995 (CHEMBL3992924)	Inhibition of FGFR1 (unknown origin) using FAM-P22 as substrate preincubated for 10 mins followed by substrate/ATP addition measured after 1 hr by mobility shift assay
50048925	1	ChEMBL_1644049 (CHEMBL3992978)	Inhibition of N-terminal His-tagged full length human recombinant BTK expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay
50048926	1	ChEMBL_1644085 (CHEMBL3993014)	Inhibition of wild-type ALK (unknown origin) using peptide as substrate measured after 30 mins by fluorescence assay
50048927	1	ChEMBL_1644146 (CHEMBL3993075)	Binding affinity to recombinant human ER-alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarization assay
50048928	1	ChEBML_1644186	Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell viability assay
50048928	2	ChEBML_1644191	Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 6 hrs by Cell Titer-Glo luminescent cell viability assay
50048928	3	ChEMBL_1644184 (CHEMBL3993113)	Inhibition of recombinant GST-tagged RIP1 (unknown origin) after 4 hrs by ADP-Glo kinase assay
50048928	4	ChEBML_1644221	Inhibition of CYP1A2 (unknown origin)
50048928	5	ChEBML_1644222	Inhibition of CYP2C19 (unknown origin)
50048928	6	ChEBML_1644223	Inhibition of CYP2C9 (unknown origin)
50048928	7	ChEBML_1644225	Inhibition of CYP3A4 (unknown origin)
50048928	10	ChEMBL_1644186 (CHEMBL3993115)	Inhibition of RIP1 in human HT-29 cells assessed as reduction in TNFalpha/z-VAD-FMK-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell viability assay
50048928	8	ChEMBL_1644224 (CHEMBL3993153)	Inhibition of CYP2D6 (unknown origin)
50048928	9	ChEMBL_1644185 (CHEMBL3993114)	Inhibition of RIP1 (unknown origin) using MBP as substrate preincubated for 15 mins followed by MBP/ATP mixture addition measured after 90 mins by ADP-Glo kinase assay
50048929	1	ChEMBL_1644277 (CHEMBL3993206)	Antagonist activity at human vasopressin 1a receptor
50048929	2	ChEMBL_1644276 (CHEMBL3993205)	Inhibition of PIM1 (unknown origin)
50048929	3	ChEMBL_1644275 (CHEMBL3993204)	Inhibition of tankyrase-2 (unknown origin)
50048930	1	ChEBML_1644301	Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in chloride ion flux after 4 mins by membrane potential blue dye based FLIPR assay
50048930	3	ChEMBL_1644301 (CHEMBL3993230)	Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as potentiation of glycine-induced increase in chloride ion flux after 4 mins by membrane potential blue dye based FLIPR assay
50048930	4	ChEMBL_1644302 (CHEMBL3993231)	Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay
50048930	2	ChEBML_1644302	Binding affinity to human glycine alpha3 receptor expressed in HEK293T cells by SPR assay
50048931	1	ChEBML_1644311	Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50048931	2	ChEBML_1644309	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50048932	1	ChEBML_1644378	Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measured every min for 30 mins
50048932	2	ChEBML_1644400	Inhibition of human plasma kallikrein using fluorogenic substrate Z-Phe-Arg-AMC
50048932	3	ChEMBL_1644378 (CHEMBL3993307)	Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measured every min for 30 mins
50048933	1	ChEBML_1644406	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	2	ChEBML_1644402	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	3	ChEBML_1644405	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	4	ChEBML_1644403	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15 mins followed by orexin A addition by Fura-2-AM dye based fluorescence assay
50048933	5	ChEBML_1644404	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15 mins followed by orexin A addition by Fura-2-AM dye based fluorescence assay
50048933	6	ChEMBL_1644403 (CHEMBL3993332)	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15 mins followed by orexin A addition by Fura-2-AM dye based fluorescence assay
50048933	7	ChEMBL_1644405 (CHEMBL3993334)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	8	ChEMBL_1644406 (CHEMBL3993335)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	9	ChEMBL_1644402 (CHEMBL3993331)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting method
50048933	10	ChEMBL_1644404 (CHEMBL3993333)	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15 mins followed by orexin A addition by Fura-2-AM dye based fluorescence assay
50048934	1	ChEBML_1644612	Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay
50048934	3	ChEMBL_1644611 (CHEMBL3993540)	Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay
50048934	4	ChEMBL_1644612 (CHEMBL3993541)	Inhibition of EphB4 (unknown origin) after 60 mins by ADP-Glo assay
50048934	2	ChEMBL_1644610 (CHEMBL3993539)	Inhibition of VEGFR2 (unknown origin) after 60 mins by ADP-Glo assay
50048935	1	ChEMBL_1644663 (CHEMBL3993592)	Inhibition of MDP-induced human NOD2 signaling expressed in HEK-Blue cells preincubated for 3 hrs followed by MDP-stimulation for 20 hrs by spectrophotometry based SEAP reporter gene assay
50048936	1	ChEMBL_1644695 (CHEMBL3993624)	Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50048936	2	ChEMBL_1644696 (CHEMBL3993625)	Inhibition of recombinant human CA2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50048936	3	ChEMBL_1644697 (CHEMBL3993626)	Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay
50048936	4	ChEMBL_1644698 (CHEMBL3993627)	Inhibition of recombinant human CA7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50048936	5	ChEMBL_1644699 (CHEMBL3993628)	Inhibition of recombinant human CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay
50048936	6	ChEMBL_1644700 (CHEMBL3993629)	Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50048937	1	ChEMBL_1644715 (CHEMBL3993644)	Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Suc-Ala-Ala-Pro-Phe-para-nitroanilide as substrate after 5 mins by spectrophotometric method
50048937	2	ChEMBL_1644714 (CHEMBL3993643)	Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) after 2 hrs by TR-FRET assay
50048938	1	ChEMBL_1644754 (CHEMBL3993683)	Agonist activity at human GPR120 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay
50048938	2	ChEMBL_1644750 (CHEMBL3993679)	Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay
50048938	3	ChEMBL_1644752 (CHEMBL3993681)	Agonist activity at human FFA3 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay
50048938	4	ChEMBL_1644753 (CHEMBL3993682)	Agonist activity at human FFA2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo-8 dye based FLIPR assay
50048939	1	ChEMBL_1644759 (CHEMBL3993688)	Inhibition of human recombinant full length N-terminal His6-tagged Src expressed in Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50048939	2	ChEMBL_1644760 (CHEMBL3993689)	Inhibition of human recombinant full length N-terminal His6-tagged Fyn expressed in baculovirus infected Sf21 cells using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50048939	3	ChEMBL_1644763 (CHEMBL3993692)	Inhibition of Abl (unknown origin)
50048939	4	ChEMBL_1644764 (CHEMBL3993693)	Inhibition of Flt3 (unknown origin) using KVEKIGEGTYGVVYK as substrate after 10 mins in presence of [gamma-33P]ATP by scintillation counting method
50048940	1	ChEBML_1644771	Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method
50048940	2	ChEBML_1644772	Inhibition of human coagulation factor 9a using methylsulfonyl-D-cyclohexylglycyl-Gly-Arg-AMC as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	3	ChEBML_1644773	Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	4	ChEBML_1644774	Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method
50048940	5	ChEBML_1644767	Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	6	ChEMBL_1644768 (CHEMBL3993697)	Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method
50048940	7	ChEBML_1644781	Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	8	ChEBML_1644775	Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	9	ChEBML_1644777	Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	10	ChEBML_1644778	Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	11	ChEBML_1644779	Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	12	ChEBML_1644780	Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	13	ChEMBL_1644781 (CHEMBL3993710)	Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	14	ChEMBL_1644767 (CHEMBL3993696)	Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	15	ChEMBL_1644778 (CHEMBL3993707)	Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	16	ChEMBL_1644771 (CHEMBL3993700)	Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric method
50048940	17	ChEMBL_1644773 (CHEMBL3993702)	Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	18	ChEMBL_1644775 (CHEMBL3993704)	Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	19	ChEMBL_1644772 (CHEMBL3993701)	Inhibition of human coagulation factor 9a using methylsulfonyl-D-cyclohexylglycyl-Gly-Arg-AMC as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	20	ChEMBL_1644780 (CHEMBL3993709)	Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048940	21	ChEMBL_1644777 (CHEMBL3993706)	Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method
50048941	1	ChEMBL_1644827 (CHEMBL3993756)	Inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation using 3-phosphoglycerate as substrate in presence of NAD+ by resorufin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50048941	6	ChEMBL_1644832 (CHEMBL3993761)	Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay
50048941	5	ChEMBL_1644829 (CHEMBL3993758)	Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine repleted medium after 5 days by presto blue assay
50048941	10	ChEMBL_1644823 (CHEMBL3993752)	Non-competitive inhibition of His6-tagged full length PHGDH (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in NADH formation using 3-phosphoglycerate as substrate preincubated for 30 mins followed by substrate addition in presence of NAD+ by fluorescence assay
50048941	2	ChEMBL_1644830 (CHEMBL3993759)	Inhibition of PHGDH in human SiHa cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay
50048941	8	ChEMBL_1644836 (CHEMBL3993765)	Non-competitive inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation preincubated for 30 mins followed by varying levels of 3-phosphoglycerate substrate addition in presence of constant NAD+ concentration by resorufin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50048941	3	ChEMBL_1644825 (CHEMBL3993754)	Non-competitive inhibition of PHGDH (unknown origin) assessed as reduction in NADH formation using 3-phosphoglycerate as substrate after 20 mins in presence of NAD+ by resorufin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50048941	4	ChEMBL_1644824 (CHEMBL3993753)	Binding affinity to PHGDH (unknown origin) by SPR assay
50048941	9	ChEMBL_1644837 (CHEMBL3993766)	Non-competitive inhibition of recombinant human C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli assessed as reduction in NADH formation preincubated for 30 mins followed by constant concentration of 3-phosphoglycerate substrate addition in presence of varying levels of NAD+ by resorufin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50048941	11	ChEMBL_1644833 (CHEMBL3993762)	Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay
50048941	7	ChEBML_1644833	Inhibition of PHGDH in human HL60 cells assessed as reduction in cell viability in serine depleted medium after 5 days by presto blue assay
50048942	1	ChEBML_1644840	Inverse agonist at mouse brain CB1R expressed in CHOK1 cell membranes assessed as inhibition of CP55940-stimulated [35S]GTP-gammaS binding measured after 60 mins by scintillation spectrometry
50048942	2	ChEBML_1644841	Displacement of [3H]CP55940 from mouse CB2R expressed in CHOK1 cell membranes
50048942	3	ChEMBL_1644839 (CHEMBL3993768)	Displacement of [3H]CP55940 from mouse brain CB1R expressed in CHOK1 cell membranes
50048942	4	ChEMBL_1644841 (CHEMBL3993770)	Displacement of [3H]CP55940 from mouse CB2R expressed in CHOK1 cell membranes
50048942	5	ChEMBL_1644840 (CHEMBL3993769)	Inverse agonist at mouse brain CB1R expressed in CHOK1 cell membranes assessed as inhibition of CP55940-stimulated [35S]GTP-gammaS binding measured after 60 mins by scintillation spectrometry
50048943	1	ChEBML_1644874	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu, Tyr) as substrate after 40 mins in presence of ATP by luminescence assay
50048943	3	ChEMBL_1644875 (CHEMBL3993804)	Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system using Poly (Glu, Tyr) as substrate after 40 mins in presence of ATP by luminescence assay
50048943	4	ChEMBL_1644874 (CHEMBL3993803)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly (Glu, Tyr) as substrate after 40 mins in presence of ATP by luminescence assay
50048944	1	ChEMBL_1644915 (CHEMBL3993844)	Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of exendin-4-induced cAMP accumulation after 90 mins by GloSensor cAMP assay
50048944	2	ChEMBL_1644922 (CHEMBL3993851)	Antagonist activity at glucagon receptor (unknown origin)
50048944	3	ChEMBL_1644914 (CHEMBL3993843)	Antagonist activity at human GLP-1R expressed in TREx293 cells co-expressing cAMP sensitive luciferase assessed as inhibition of GLP1 (7 to 36 residues) amide-induced cAMP accumulation after 90 mins by GloSensor cAMP assay
50048944	4	ChEMBL_1644925 (CHEMBL3993854)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50048944	5	ChEMBL_1644926 (CHEMBL3993855)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50048944	6	ChEMBL_1644927 (CHEMBL3993856)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50048944	7	ChEMBL_1644928 (CHEMBL3993857)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50048944	8	ChEMBL_1644938 (CHEMBL3993867)	Antagonist activity at GLP-1R (unknown origin)
50048945	1	ChEMBL_1644940 (CHEMBL3993869)	Binding affinity to human IgG1-fused Siglec-7-Fc assessed as inhibition of Siglec-7-Fc binding to RBC preincubated for 10 mins followed by RBC addition measured after 20 mins by FACS analysis
50048945	2	ChEMBL_1644943 (CHEMBL3993872)	Binding affinity to human IgG1-fused Siglec-7-Fc measured after 2.5 hrs by ELISA
50048945	3	ChEMBL_1644950 (CHEMBL3993879)	Binding affinity to human IgG1-fused Siglec-7-Fc
50048946	3	ChEMBL_1644978 (CHEMBL3993907)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362-end residues) using ULight-4E-BP1 peptide substrate after 1 hr in presence of ATP by Lance Ultra assay
50048946	2	ChEMBL_1644972 (CHEMBL3993901)	Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay
50048946	5	ChEMBL_1644976 (CHEMBL3993905)	Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate after 1 hr by ADP-Glo kinase assay
50048946	4	ChEMBL_1644975 (CHEMBL3993904)	Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2 as substrate after 1 hr by ADP-Glo kinase assay
50048946	1	ChEMBL_1644971 (CHEMBL3993900)	Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110beta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate after 1 hr by ADP-Glo kinase assay
50048947	1	ChEBML_1644986	Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048947	2	ChEBML_1644985	Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048947	5	ChEMBL_1644986 (CHEMBL3993915)	Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048947	3	ChEMBL_1644988 (CHEMBL3993917)	Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048947	6	ChEMBL_1644985 (CHEMBL3993914)	Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048947	4	ChEMBL_1644987 (CHEMBL3993916)	Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50048948	1	ChEMBL_1645058 (CHEMBL3993987)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins
50048948	2	ChEMBL_1645059 (CHEMBL3993988)	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50048948	3	ChEMBL_1645060 (CHEMBL3993989)	Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50048948	4	ChEMBL_1645057 (CHEMBL3993986)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins
50048949	1	ChEBML_1645063	Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	7	ChEMBL_1645063 (CHEMBL3993992)	Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	3	ChEMBL_1645064 (CHEMBL3993993)	Inhibition of human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	6	ChEMBL_1645070 (CHEMBL3993999)	Inhibition of recombinant human GST-tagged VEGFR3 cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	2	ChEMBL_1645069 (CHEMBL3993998)	Inhibition of recombinant human GST-tagged VEGFR1 cytoplasmic domain (781 to 1338 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	5	ChEMBL_1645072 (CHEMBL3994001)	Inhibition of recombinant human GST-tagged FGFR1 cytoplasmic domain (398 to 822 residues) expressed in baculovirus expression system preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048949	4	ChEMBL_1645071 (CHEMBL3994000)	Inhibition of PDGFRalpha (unknown origin) preincubated for 10 mins followed by FAM-labeled peptide substrate addition measured after 1 hr by mobility shift assay
50048950	1	ChEMBL_1645075 (CHEMBL3994004)	Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay
50048950	2	ChEMBL_1645074 (CHEMBL3994003)	Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay
50048951	1	ChEMBL_1645080 (CHEMBL3994009)	Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay
50048952	1	ChEMBL_1645124 (CHEMBL3994053)	Inhibition of human U937 cells-derived PDE4B using [3H]cAMP as substrate after 30 mins
50048952	2	ChEMBL_1645125 (CHEMBL3994054)	Inhibition of human U937 cells-derived PDE4D using [3H]cAMP as substrate after 30 mins
50048953	1	ChEMBL_1645148 (CHEMBL3994077)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins
50048953	2	ChEMBL_1645147 (CHEMBL3994076)	Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins
50048953	3	ChEMBL_1645149 (CHEMBL3994078)	Inhibition of TCPTP (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins
50048954	1	ChEMBL_1645152 (CHEMBL3994081)	Inhibition of HIF-1alpha (unknown origin) transcriptional activity expressed in human MCF7 cells after 24 hrs under hypoxic condition by HRE luciferase reporter gene assay
50048954	2	ChEMBL_1645160 (CHEMBL3994089)	Inhibition of HIF-1alpha transcriptional activity in human MCF7 cells assessed as reduction in VEGF secretion after 24 hrs under hypoxic condition by ELISA
50048955	1	ChEMBL_1645329 (CHEMBL3994258)	Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to MCL1 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50048955	2	ChEMBL_1645328 (CHEMBL3994257)	Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl-XL (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50048955	3	ChEMBL_1645327 (CHEMBL3994256)	Inhibition of N-terminal FAM-labeled Bid-BH3 peptide binding to Bcl2 (unknown origin) preincubated for 30 mins followed by N-terminal FAM-labeled Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay
50048956	1	ChEMBL_1645342 (CHEMBL3994271)	Inhibition of GFP-fused Cav3.2-alpha1 (unknown origin) expressed in human tsA-201 cells at holding potential of -110 mV by whole cell patch clamp method
50048957	1	ChEMBL_1645378 (CHEMBL3994307)	Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated for 15 mins followed substrate addition measured after 10 to 100 sec by phenol red dye based stopped flow assay
50048957	2	ChEMBL_1645379 (CHEMBL3994308)	Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated for 15 mins followed substrate addition measured after 10 to 100 sec by phenol red dye based stopped flow assay
50048957	3	ChEMBL_1645380 (CHEMBL3994309)	Inhibition of recombinant human carbonic anhydrase-4 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated for 15 mins followed substrate addition measured after 10 to 100 sec by phenol red dye based stopped flow assay
50048957	4	ChEMBL_1645381 (CHEMBL3994310)	Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in enzyme-catalyzed hydration activity using CO2 as substrate preincubated for 15 mins followed substrate addition measured after 10 to 100 sec by phenol red dye based stopped flow assay
50048958	1	ChEMBL_1645405 (CHEMBL3994334)	Displacement of [3H]Ro15-1788 from GABA-Aalpha1beta2gamma2 receptor (unknown origin) expressed in cell membranes after 1 hr
50048959	1	ChEMBL_1645423 (CHEMBL3994352)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorimetric method
50048959	2	ChEMBL_1645420 (CHEMBL3994349)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50048959	3	ChEMBL_1645422 (CHEMBL3994351)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorimetric method
50048960	1	ChEMBL_1645467 (CHEMBL3994396)	Antagonist activity at human adenosine A1 receptor expressed in HEK293 cells assessed as reduction in CPA-mediated inhibition of forskolin-stimulated cAMP level preincubated for 15 mins followed by CPA treatment for 15 mins and subsequent addition of forskolin measured after 30 mins by HTRF assay
50048960	2	ChEMBL_1645469 (CHEMBL3994398)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes after 90 mins
50048960	3	ChEMBL_1645470 (CHEMBL3994399)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as reduction in NECA-induced increase in cAMP level preincubated for 15 mins followed by NECA addition measured after 15 mins by HTRF assay
50048960	4	ChEMBL_1645466 (CHEMBL3994395)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in HEK293 cell membranes after 90 mins
50048960	5	ChEMBL_1645459 (CHEMBL3994388)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins
50048960	6	ChEMBL_1645461 (CHEMBL3994390)	Displacement of [3H]MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins
50048961	1	ChEMBL_1645517 (CHEMBL3994446)	Inhibition of full length recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 as substrate by fluorescence assay
50048962	1	ChEMBL_1645572 (CHEMBL3994501)	Inhibition of SDHB in human U2OS cells over-expressing Bim assessed as inhibition of apoptosis preincubated for 1 hr followed by doxycyclin addition to induce Bim protein expression measured after 24 hrs by Cell Titer-Glo assay
50048962	2	ChEMBL_1645575 (CHEMBL3994504)	Inhibition of SDHB in human U2OS cells over-expressing tBid assessed as reduction in apoptosis preincubated for 1 hr followed by doxycyclin addition to induce tBid protein expression measured after 24 hrs by Cell Titer-Glo assay
50048963	1	ChEMBL_1645590 (CHEMBL3994519)	Inhibition of recombinant human DHODH
50048964	1	ChEMBL_1645607 (CHEMBL3994536)	Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method
50048964	2	ChEMBL_1645608 (CHEMBL3994537)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method
50048965	1	ChEMBL_1645615 (CHEMBL3994544)	Inhibition of pyrrolidine inhibitor-based oregon-green probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay
50048965	2	ChEMBL_1645614 (CHEMBL3994543)	Inhibition of pyrrolidine inhibitor-based oregon-green probe binding to GST-tagged EED (unknown origin) after 1 hr by assay explorer integrated LanthaScreen TR-FRET assay
50048966	2	ChEMBL_1645789 (CHEMBL3994845)	Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay
50048966	1	ChEBML_1645789	Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE assay
50048966	5	ChEMBL_1645788 (CHEMBL3994844)	Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintillation proximity assay
50048966	3	ChEMBL_1645790 (CHEMBL3994846)	Agonist activity at human GLP1R expressed in CHOK1 cells assessed as induction of beta-galactosidase-tagged beta-arrestin2 recruitment incubated for 90 mins by PathHunter enzyme complementation assay
50048966	6	ChEMBL_1645791 (CHEMBL3994847)	Agonist activity at GLP1R in rat INS-1 cells assessed as increase in glucose-stimulated insulin secretion after 1 hr by HTRF assay
50048966	4	ChEBML_1645791	Agonist activity at GLP1R in rat INS-1 cells assessed as increase in glucose-stimulated insulin secretion after 1 hr by HTRF assay
50048967	1	ChEBML_1645792	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50048967	2	ChEMBL_1645792 (CHEMBL3994848)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50048969	1	ChEMBL_1645815 (CHEMBL3994871)	Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of A23187-induced product formation using arachidonic acid as substrate preincubated for 15 mins followed by substrate and A23187 addition measured after 10 mins by RP-HPLC method
50048969	2	ChEMBL_1645814 (CHEMBL3994870)	Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by RP-HPLC method
50048970	1	ChEMBL_1645845 (CHEMBL3994901)	Inhibition of HMG-CoA reductase in pig liver microsomes using HMG-CoA as substrate preincubated for 5 mins followed by NADPH addition measured after 15 mins by colorimetric method
50048970	2	ChEMBL_1645848 (CHEMBL3994904)	Inhibition of sucrase in rat small intestinal mucosa assessed as reduction in glucose production using sucrose as substrate measured after 40 mins by glucose oxidase assay
50048968	3	ChEMBL_1645899 (CHEMBL3994955)	Inhibition of full length recombinant human N-terminal GST-tagged ERK1 expressed in Escherichia coli in presence of [gamma33P]ATP by HTRF assay
50048968	2	ChEMBL_1645898 (CHEMBL3994954)	Inhibition of recombinant human N-terminal GST-tagged RAF1 (306-end residues) expressed in baculovirus infected Sf21 cells in presence of [gamma33P]ATP by HTRF assay
50048971	1	ChEBML_1646025	Displacement of [3H]DPCPX from human adenosine receptor A1 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50048971	2	ChEBML_1646026	Displacement of [3H]-ZM-241385 from human adenosine receptor A2a expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50048971	8	ChEMBL_1646018 (CHEMBL3995074)	Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50048971	9	ChEMBL_1646026 (CHEMBL3995082)	Displacement of [3H]-ZM-241385 from human adenosine receptor A2a expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50048971	7	ChEMBL_1646029 (CHEMBL3995085)	Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 mins followed by NECA stimulation for 15 mins by HTRF assay
50048971	10	ChEMBL_1646025 (CHEMBL3995081)	Displacement of [3H]DPCPX from human adenosine receptor A1 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50048971	6	ChEMBL_1646016 (CHEMBL3995072)	Displacement of [125I]ABOPX from human adenosine receptor A2b expressed in HEK293 cell membranes after 3 hrs by fluorescence assay
50048971	5	ChEMBL_1646017 (CHEMBL3995073)	Displacement of [3H]DPCPX from human adenosine receptor A2b expressed in HEK293 cell membranes
50048972	1	ChEMBL_1646042 (CHEMBL3995098)	Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot method
50048972	2	ChEMBL_1646039 (CHEMBL3995095)	Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method
50048972	3	ChEMBL_1646043 (CHEMBL3995099)	Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by double reciprocal plot method
50048973	2	ChEMBL_1646099 (CHEMBL3995155)	Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method
50048973	3	ChEMBL_1646098 (CHEMBL3995154)	Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence of NADH by RP-HPLC method
50048974	1	ChEBML_1646193	Inhibition of human U-937 cell derived COX1 assessed as reduction in PGE2 level using arachidonic acid as substrate pretreated for 15 mins followed by substrate addition measured after 10 mins by enzyme immunoassay
50048974	2	ChEBML_1646194	Inhibition of human 143.98.2 cell derived COX2 assessed as reduction in PGE2 level using arachidonic acid as substrate pretreated for 15 mins followed by substrate addition measured after 10 mins by enzyme immunoassay
50048974	3	ChEBML_1646196	Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor
50048974	4	ChEBML_1646133	Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate by ECMA
50048974	7	ChEMBL_1646127 (CHEMBL3995183)	Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate
50048974	13	ChEMBL_1646133 (CHEMBL3995189)	Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 cells using poly-Glu/Tyr (4:1) peptide as substrate by ECMA
50048974	6	ChEMBL_1646146 (CHEMBL3995202)	Displacement of [3H]RO15-1788 from recombinant rat GABAalpha3 receptor expressed in HEK293 cells after 1 hr
50048974	11	ChEMBL_1646137 (CHEMBL3995193)	Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting
50048974	9	ChEMBL_1646144 (CHEMBL3995200)	Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr
50048974	8	ChEMBL_1646145 (CHEMBL3995201)	Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr
50048974	10	ChEMBL_1646138 (CHEMBL3995194)	Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting
50048974	5	ChEMBL_1646147 (CHEMBL3995203)	Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr
50048974	12	ChEMBL_1646195 (CHEMBL3995251)	Displacement of [125I]o-CRF from recombinant human CRF1 receptor expressed in CHO cells
50048975	1	ChEBML_1646206	Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay
50048975	2	ChEMBL_1646206 (CHEMBL3995262)	Transactivation of Gal4 fused human PPARgamma LBD expressed in African green monkey COS7 cells after 42 hrs by dual luciferase reporter gene assay
50048976	1	ChEMBL_1646248 (CHEMBL3995304)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method
50048976	2	ChEMBL_1646249 (CHEMBL3995305)	Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method
50048976	3	ChEMBL_1646255 (CHEMBL3995311)	Competitive inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Michaelis-Menten plot analysis
50048976	4	ChEMBL_1646256 (CHEMBL3995312)	Noncompetitive inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Michaelis-Menten plot analysis
50048977	1	ChEMBL_1646279 (CHEMBL3995335)	Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA method
50048977	2	ChEMBL_1646280 (CHEMBL3995336)	Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method
50048978	1	ChEMBL_1646309 (CHEMBL3995365)	Inhibition of recombinant human TNKS1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	2	ChEBML_1646308	Inhibition of recombinant human TNKS1 ADP-ribosyltransferase/sterile alpha motif domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	3	ChEBML_1646307	Inhibition of recombinant human His6-tagged PARP4 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	4	ChEBML_1646321	Inhibition of recombinant human His6-tagged PARP1 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS method
50048978	5	ChEMBL_1646302 (CHEMBL3995358)	Inhibition of recombinant human His6-tagged PARP1 C-3-zinc finger domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	22	ChEMBL_1646307 (CHEMBL3995363)	Inhibition of recombinant human His6-tagged PARP4 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	23	ChEMBL_1646306 (CHEMBL3995362)	Inhibition of full length recombinant human His6-tagged PARP3 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	24	ChEMBL_1646305 (CHEMBL3995361)	Inhibition of recombinant human His6-tagged PARP2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	9	ChEBML_1646306	Inhibition of full length recombinant human His6-tagged PARP3 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	10	ChEBML_1646313	Inhibition of recombinant human His6-tagged PARP12 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	25	ChEMBL_1646308 (CHEMBL3995364)	Inhibition of recombinant human TNKS1 ADP-ribosyltransferase/sterile alpha motif domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	8	ChEMBL_1646311 (CHEMBL3995367)	Inhibition of full length recombinant human His6-tagged PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	26	ChEMBL_1646315 (CHEMBL3995371)	Inhibition of recombinant human His6-tagged PARP15 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	11	ChEMBL_1646304 (CHEMBL3995360)	Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	12	ChEBML_1646314	Inhibition of recombinant human His6-tagged PARP14 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	13	ChEBML_1646315	Inhibition of recombinant human His6-tagged PARP15 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	27	ChEMBL_1646301 (CHEMBL3995357)	Inhibition of full length recombinant human His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	14	ChEBML_1646304	Inhibition of full length recombinant human His6-tagged PARP2 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	6	ChEMBL_1646303 (CHEMBL3995359)	Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	28	ChEMBL_1646313 (CHEMBL3995369)	Inhibition of recombinant human His6-tagged PARP12 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	17	ChEMBL_1646321 (CHEMBL3995377)	Inhibition of recombinant human His6-tagged PARP1 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS method
50048978	29	ChEMBL_1646314 (CHEMBL3995370)	Inhibition of recombinant human His6-tagged PARP14 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	7	ChEBML_1646311	Inhibition of full length recombinant human His6-tagged PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	15	ChEBML_1646310	Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	16	ChEBML_1646316	Inhibition of full length recombinant human His6-tagged PARP16 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	18	ChEMBL_1646322 (CHEMBL3995378)	Inhibition of recombinant human His6-tagged PARP2 autophosphorylation at ADP-ribosyltransferase domain by LC-MS/MS method
50048978	30	ChEMBL_1646310 (CHEMBL3995366)	Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	20	ChEMBL_1646325 (CHEMBL3995381)	Inhibition of full length recombinant human His6-tagged PARP1
50048978	31	ChEMBL_1646312 (CHEMBL3995368)	Inhibition of recombinant human His6-tagged PARP10 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048978	32	ChEMBL_1646316 (CHEMBL3995372)	Inhibition of full length recombinant human His6-tagged PARP16 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50048979	1	ChEMBL_1646376 (CHEMBL3995432)	Inhibition of human pancreatic lipase using 4-methylumbelliferyl oleate as substrate after 30 mins by fluorometric method
50048980	1	ChEMBL_1646423 (CHEMBL3995479)	Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 expressed in Sf9 cells using FTS as substrate preincubated for 10 mins followed by substrate addition measured over 30 mins
50048980	2	ChEMBL_1646424 (CHEMBL3995480)	Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in Sf9 cells using FTS as substrate preincubated for 10 mins followed by substrate addition measured over 30 mins
50048980	3	ChEMBL_1646425 (CHEMBL3995481)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in Sf9 cells using FTS as substrate preincubated for 10 mins followed by substrate addition measured over 30 mins
50048980	4	ChEMBL_1646418 (CHEMBL3995474)	Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 expressed in Sf21 cells using RHKK(Ac) as substrate after 60 mins by fluorimetric method
50048980	5	ChEMBL_1646419 (CHEMBL3995475)	Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 expressed in insect cells using RHKK(Ac) as substrate after 60 mins by fluorimetric method
50048980	6	ChEMBL_1646420 (CHEMBL3995476)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in Sf9 cells using RHKK(Ac) as substrate after 90 mins by fluorimetric method
50048981	1	ChEMBL_1646461 (CHEMBL3995517)	Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after 75 mins by scintillation proximity assay
50048981	2	ChEMBL_1646463 (CHEMBL3995519)	Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of 10 uM Zn2+ measured after 75 mins by scintillation proximity assay
50048981	3	ChEMBL_1646464 (CHEMBL3995520)	Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation measured after 75 mins by scintillation proximity assay
50048981	4	ChEMBL_1646465 (CHEMBL3995521)	Agonist activity at mouse GPR39 expressed in HEK293 cells co-expressing Galphaq assessed as myo-[2-3H]inositol phosphate accumulation in presence of 10 uM Zn2+ measured after 75 mins by scintillation proximity assay
50048981	5	ChEMBL_1646467 (CHEMBL3995523)	Agonist activity at GPR39 (unknown origin) expressed in COS7 cells co-expressing Galphas assessed as increase in intracellular cAMP level in presence of 3 uM Zn2+ measured after 30 mins by chemiluminescence assay
50048982	1	ChEMBL_1646492 (CHEMBL3995548)	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed by biotinylated cAMP addition and subsequent incubation for 2 hrs by AlphaScreen assay
50048982	2	ChEMBL_1646493 (CHEMBL3995549)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed by biotinylated cAMP addition and subsequent incubation for 2 hrs by AlphaScreen assay
50048982	3	ChEMBL_1646494 (CHEMBL3995550)	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed by biotinylated cAMP addition and subsequent incubation for 2 hrs by AlphaScreen assay
50048982	4	ChEMBL_1646507 (CHEMBL3995563)	Agonist activity at human MC3R expressed in CHO cells assessed as increase in IBMX-induced cAMP accumulation after 40 mins
50048982	5	ChEMBL_1646508 (CHEMBL3995564)	Agonist activity at human MC4R expressed in CHO cells assessed as increase in IBMX-induced cAMP accumulation after 40 mins
50048982	6	ChEMBL_1646491 (CHEMBL3995547)	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in forskolin-induced cAMP accumulation preincubated for 2 hrs followed by biotinylated cAMP addition and subsequent incubation for 2 hrs by AlphaScreen assay
50048982	7	ChEMBL_1646506 (CHEMBL3995562)	Agonist activity at human MC4R expressed in CHO cells assessed as increase in IBMX-induced cAMP accumulation after 45 mins by [125I]cAMP flash plate assay
50048982	8	ChEMBL_1646509 (CHEMBL3995565)	Agonist activity at human MC5R expressed in CHO cells assessed as increase in IBMX-induced cAMP accumulation after 40 mins
50048983	1	ChEMBL_1646796 (CHEMBL3995852)	Inhibition of human c-RAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay
50048983	2	ChEMBL_1646800 (CHEMBL3995856)	Inhibition of human BRAF using MEK1 as substrate in presence of [33P]ATP by Hotspot assay
50048984	1	ChEMBL_1647768 (CHEMBL3996824)	Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyline by continuous fluorescence-based method
50048984	2	ChEMBL_1647766 (CHEMBL3996822)	Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegiline by continuous fluorescence-based method
50048984	3	ChEMBL_1647765 (CHEMBL3996821)	Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegiline by continuous fluorescence-based method
50048984	4	ChEMBL_1647767 (CHEMBL3996823)	Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyline by continuous fluorescence-based method
50048985	1	ChEMBL_1647802 (CHEMBL3996858)	Inhibition of PI3Kdelta in mouse spleen assessed suppression of CD86
50048985	2	ChEMBL_1647788 (CHEMBL3996844)	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay
50048985	3	ChEMBL_1647793 (CHEMBL3996849)	Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis
50048985	4	ChEMBL_1647794 (CHEMBL3996850)	Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression incubated for 60 mins
50048985	5	ChEMBL_1647796 (CHEMBL3996852)	Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay
50048985	6	ChEMBL_1647797 (CHEMBL3996853)	Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay
50048985	7	ChEMBL_1647798 (CHEMBL3996854)	Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate incubated for 30 mins by ADP-Glo assay
50048986	1	ChEMBL_1647822 (CHEMBL3996878)	Negative allosteric modulation of rat N-terminal HA-tagged mGlu5 receptor expressed in HEK293 cells co-expressing N-terminal HA-tagged EAAC1 assessed as inhibition of quisqualate-induced inositol phosphate accumulation after 30 mins by HTRF assay
50048986	2	ChEMBL_1647826 (CHEMBL3996882)	Negative allosteric modulation of human mGlu5a receptor expressed in HEK293 cells co-expressing EAAC1 assessed as inhibition of quisqualate-induced intracellular calcium accumulation preincubated for 5 mins followed by quisqualate addition by Flou-4-AM dye based FLIPR assay
50048986	4	ChEMBL_1647828 (CHEMBL3996884)	Negative allosteric modulation of mGlu5 receptor (unknown origin)
50048987	1	ChEMBL_1647854 (CHEMBL3996910)	Inhibition of human liver cathepsin-L using Z-FR-AMC as substrate preincubated for 5 mins followed by substrate addition measured at 15 sec interval for 5 mins by fluorometric method
50048987	2	ChEMBL_1647855 (CHEMBL3996911)	Covalent/reversible inhibition of human liver cathepsin-L using Z-FR-AMC as substrate preincubated for 5 mins followed by substrate addition measured at 15 sec interval for 5 mins by Morrison's equation analysis
50048987	3	ChEMBL_1647864 (CHEMBL3996920)	Inhibition of human liver cathepsin-B using Z-RR-AMC as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by fluorometric method
50048988	9	ChEMBL_1647919 (CHEMBL3996975)	Agonist activity at human FFA4 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLIPR assay
50048988	1	ChEBML_1647920	Agonist activity at human FFA1 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLIPR assay
50048988	10	ChEMBL_1647920 (CHEMBL3996976)	Agonist activity at human FFA1 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLIPR assay
50048988	2	ChEBML_1647919	Agonist activity at human FFA4 receptor expressed in human U2OS cells co-expressing Galpha16 assessed as calcium mobilization by Fluo-4 dye based FLIPR assay
50048988	8	ChEBML_1647942	Agonist activity at rat FFA1 receptor
50048988	3	ChEBML_1647937	Agonist activity at mouse FFA4 receptor
50048988	4	ChEBML_1647938	Agonist activity at rat FFA4 receptor
50048988	5	ChEBML_1647940	Agonist activity at mouse FFA1 receptor
50048988	6	ChEBML_1647943	Agonist activity at human FFA2 receptor by FLIPR assay
50048988	7	ChEBML_1647944	Agonist activity at human FFA3 receptor by FLIPR assay
50048989	1	ChEMBL_1647978 (CHEMBL3997034)	Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus infected Hi5 cells using TK substrate after 60 mins by HTRF assay
50048989	2	ChEMBL_1647979 (CHEMBL3997035)	Inhibition of juxtamembrane region deficient recombinant human N-terminal His6-tagged/GST-tagged TrkA (498 to 796 residues) expressed in baculovirus infected Hi5 cells using TK substrate after 60 mins by HTRF assay
50048989	6	ChEMBL_1647981 (CHEMBL3997037)	Inhibition of recombinant human TrkA expressed in DHFR deficient CHO cells assessed as inhibition of human beta-nerve growth factor-induced calcium influx by Fluo-4 AM dye based assay
50048989	4	ChEBML_1647982	Inhibition of recombinant human TrkB expressed in DHFR deficient CHO cells assessed as inhibition of human brain-derived neurotrophic factor-induced calcium influx by Fluo-4 AM dye based assay
50048989	5	ChEBML_1647983	Inhibition of recombinant human TrkC expressed in DHFR deficient CHO cells assessed as inhibition of human neurotrophin-3-induced calcium influx by Fluo-4 AM dye based assay
50048989	3	ChEBML_1647978	Inhibition of juxtamembrane region containing recombinant human N-terminal His6-tagged/GST-tagged TrkA (473 to 796 residues) expressed in baculovirus infected Hi5 cells using TK substrate after 60 mins by HTRF assay
50048990	1	ChEBML_1648059	Antagonist activity at human EP1 receptor
50048990	2	ChEBML_1648060	Antagonist activity at human EP2 receptor
50048990	3	ChEBML_1648051	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay
50048990	4	ChEBML_1648050	Antagonist activity at human platelet TP receptor
50048990	5	ChEBML_1648048	Antagonist activity at rat recombinant EP4 receptor
50048990	6	ChEBML_1648046	Antagonist activity at dog recombinant EP4 receptor
50048990	11	ChEMBL_1648061 (CHEMBL3997117)	Antagonist activity at human EP3 receptor
50048990	12	ChEMBL_1648054 (CHEMBL3997110)	Displacement of [3H]PGE from human EP4 receptor expressed in HEK293 cell membranes
50048990	13	ChEMBL_1648060 (CHEMBL3997116)	Antagonist activity at human EP2 receptor
50048990	7	ChEBML_1648061	Antagonist activity at human EP3 receptor
50048990	8	ChEMBL_1648051 (CHEMBL3997107)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP level by HTS assay
50048990	9	ChEBML_1648064	Antagonist activity at human FP receptor
50048990	10	ChEBML_1648049	Antagonist activity at human IP receptor
50048990	14	ChEMBL_1648059 (CHEMBL3997115)	Antagonist activity at human EP1 receptor
50048991	1	ChEBML_1648127	Inhibition of human FLAG-tagged PLK1 expressed in baculovirus infected sf21 cells using Biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay
50048991	2	ChEBML_1648133	Inhibition of CYP3A4 (unknown origin)
50048991	3	ChEBML_1648134	Inhibition of CYP2C8 (unknown origin)
50048992	1	ChEBML_1648184	Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay
50048992	2	ChEBML_1648183	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50048992	12	ChEMBL_1648187 (CHEMBL3997243)	Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50048992	8	ChEBML_1648194	Inhibition of human ERG by patch clamp electrophysiology assay
50048992	9	ChEMBL_1648188 (CHEMBL3997244)	Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50048992	11	ChEMBL_1648186 (CHEMBL3997242)	Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50048992	13	ChEMBL_1648194 (CHEMBL3997250)	Inhibition of human ERG by patch clamp electrophysiology assay
50048992	4	ChEBML_1648188	Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50048993	1	ChEMBL_1648196 (CHEMBL3997252)	Inhibition of human N-terminal His6-tagged GLO1 expressed in baculovirus infected sf21 cells assessed as reduction in S-D-lactoylglutathione formation measured for 5 mins in presence of glutathione by spectrophotometric method
50048994	1	ChEMBL_1648245 (CHEMBL3997301)	Inhibition of recombinant KGA (unknown origin) using glutamine as substrate
50048994	2	ChEMBL_1648255 (CHEMBL3997311)	Binding affinity to NT-647-NHS-labelled KGA (unknown origin) after 10 mins by microscale thermophoresis method
50048995	1	ChEMBL_1648271 (CHEMBL3997327)	Inverse agonist activity at GAL4-fused human ERRalpha expressed in HEK293 cells assessed as inhibition of transcriptional activity after 20 hrs by luciferase reporter gene assay
50048996	1	ChEMBL_1648274 (CHEMBL3997330)	Agonist activity at mouse GPR119 expressed in CHO cells co-expressing Galpha15 assessed as increase in intracellular cAMP level after 60 mins by HTRF assay
50048996	2	ChEMBL_1648277 (CHEMBL3997333)	Inhibition of human ERG
50048996	3	ChEMBL_1648279 (CHEMBL3997335)	Inhibition of human ERG by PatchXpress method
50048996	4	ChEMBL_1648272 (CHEMBL3997328)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 60 mins by HTRF assay
50048996	5	ChEMBL_1648280 (CHEMBL3997336)	Inhibition of CYP3A4 (unknown origin)
50048996	6	ChEMBL_1648281 (CHEMBL3997337)	Activity at human PXR
50048997	1	ChEMBL_1648335 (CHEMBL3997391)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50048997	2	ChEMBL_1648336 (CHEMBL3997392)	Inhibition of full length recombinant N-terminal GST-tagged human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50048997	3	ChEMBL_1648337 (CHEMBL3997393)	Inhibition of human CD45 cytoplasmic domain (584 to 1281 residues) expressed in yeast using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50048997	4	ChEMBL_1648338 (CHEMBL3997394)	Inhibition of human VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50048998	1	ChEBML_1648345	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by spectrophotometry based Ellman method
50048998	4	ChEMBL_1648345 (CHEMBL3997401)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by spectrophotometry based Ellman method
50048998	2	ChEMBL_1648346 (CHEMBL3997402)	Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by spectrophotometry based Ellman method
50048998	3	ChEMBL_1648347 (CHEMBL3997403)	Mixed/noncompetitive inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by Lineweaver-Burk plot analysis
50048999	1	ChEMBL_1648444 (CHEMBL3997500)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow CO2 hydration method
50048999	2	ChEMBL_1648447 (CHEMBL3997503)	Inhibition of recombinant human carbonic anhydrase 1 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow CO2 hydration method
50049000	1	ChEMBL_1648448 (CHEMBL3997504)	Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)
50049000	2	ChEMBL_1648449 (CHEMBL3997505)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)
50049000	3	ChEMBL_1648452 (CHEMBL3997508)	Displacement of [3H]-Raclopride from D2L receptor (unknown origin)
50049000	4	ChEMBL_1648451 (CHEMBL3997507)	Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)
50049000	5	ChEMBL_1648450 (CHEMBL3997506)	Binding affinity to 5HT2A receptor (unknown origin)
50049001	1	ChEMBL_1648459 (CHEMBL3997515)	Inhibition of proteasome beta2 in human MOLT4 cell lysate after 1 hr by ELISA
50049001	2	ChEMBL_1648458 (CHEMBL3997514)	Inhibition of MECL1 in human MOLT4 cell lysate after 1 hr by ELISA
50049001	3	ChEMBL_1648457 (CHEMBL3997513)	Inhibition of proteasome beta5 in human MOLT4 cell lysate after 1 hr by ELISA
50049001	4	ChEMBL_1648456 (CHEMBL3997512)	Inhibition of LMP7 in human MOLT4 cell lysate after 1 hr by ELISA
50049001	5	ChEMBL_1648455 (CHEMBL3997511)	Inhibition of proteasome beta1 in human MOLT4 cell lysate after 1 hr by ELISA
50049001	6	ChEMBL_1648454 (CHEMBL3997510)	Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA
50049002	1	ChEMBL_1648485 (CHEMBL3997541)	Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes by Amplex red dye based fluorescence assay
50049002	2	ChEMBL_1648484 (CHEMBL3997540)	Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 15 mins followed by substrate addition measured every 2 minutes for 50 minutes by Amplex red dye based fluorescence assay
50049002	3	ChEMBL_1648499 (CHEMBL3997555)	Inhibition of CYP2C9 (unknown origin)
50049002	4	ChEMBL_1648498 (CHEMBL3997554)	Inhibition of CYP3A4 (unknown origin)
50049002	5	ChEMBL_1648494 (CHEMBL3997550)	Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes in presence of BSA by Amplex red dye based fluorescence assay
50049002	6	ChEMBL_1648493 (CHEMBL3997549)	Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes in presence of BSA by Amplex red dye based fluorescence assay
50049002	7	ChEMBL_1648492 (CHEMBL3997548)	Inhibition of recombinant human C-terminal His10-tagged LOXL3 (1 to 753 residues) assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes by Amplex red dye based fluorescence assay
50049002	8	ChEMBL_1648491 (CHEMBL3997547)	Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes in presence of BSA by Amplex red dye based fluorescence assay
50049002	9	ChEMBL_1648490 (CHEMBL3997546)	Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 hrs followed by substrate addition measured every 2 minutes for 50 minutes in presence of BSA by Amplex red dye based fluorescence assay
50049002	10	ChEMBL_1648489 (CHEMBL3997545)	Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using DAP as substrate preincubated for 2 followed by substrate addition measured every 90 secs for 45 mins by Amplex red dye based fluorescence assay
50049002	11	ChEMBL_1648500 (CHEMBL3997556)	Inhibition of CYP2D6 (unknown origin)
50049003	1	ChEBML_1648505	Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay
50049003	3	ChEMBL_1648505 (CHEMBL3997561)	Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells in presence of (+)-pentazocine by PDSP assay
50049003	2	ChEMBL_1648504 (CHEMBL3997560)	Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by PDSP assay
50049004	1	ChEMBL_1648531 (CHEMBL3997587)	Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method
50049004	2	ChEMBL_1648530 (CHEMBL3997586)	Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method
50049004	3	ChEMBL_1648532 (CHEMBL3997588)	Displacement of [3H]DHA from beta2-AR (unknown origin) expressed in baculovirus infected sf9 cell membranes after 1 hr by scintillation counting method
50049004	4	ChEMBL_1648545 (CHEMBL3997601)	Partial agonist activity at human beta2-AR expressed in CHOK1 cells assessed as inhibition of cimaterol-induced CRE-SPAP production after 5 hrs
50049005	1	ChEMBL_1648553 (CHEMBL3997609)	Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 2 hrs by Hotspot assay
50049005	2	ChEMBL_1648549 (CHEMBL3997605)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 2 hrs by Hotspot assay
50049005	3	ChEMBL_1648552 (CHEMBL3997608)	Inhibition of human TrkC using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 2 hrs by Hotspot assay
50049006	1	ChEMBL_1648576 (CHEMBL3997632)	Inhibition of full length recombinant human N-terminal GST-tagged PIM2 (1 to 311 residues) expressed in baculovirus infected sf21 cells using S6K2 peptide as substrate by electrophoretic mobility shift assay
50049006	2	ChEMBL_1648575 (CHEMBL3997631)	Inhibition of full length recombinant human N-terminal GST-tagged PIM3 (1 to 326 end residues) expressed in baculovirus infected sf21 cells using S6K2 peptide as substrate by electrophoretic mobility shift assay
50049006	3	ChEMBL_1648574 (CHEMBL3997630)	Inhibition of full length recombinant human N-terminal His-tagged PIM1 (1 to 313 end residues) expressed in baculovirus infected sf21 cells using S6K2 peptide as substrate by electrophoretic mobility shift assay
50049006	4	ChEMBL_1648567 (CHEMBL3997623)	Inhibition of PIM1 (unknown origin) using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay
50049007	1	ChEMBL_1648651 (CHEMBL3997707)	Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins followed by GSK634775A addition by Fura-4 dye based FLIPR assay
50049007	2	ChEMBL_1648650 (CHEMBL3997706)	Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins followed by GSK634775A addition by Fura-4 dye based FLIPR assay
50049007	3	ChEMBL_1648693 (CHEMBL3997749)	Inhibition of TRPV1 (unknown origin)
50049007	4	ChEMBL_1648680 (CHEMBL3997736)	Activation of PXR (unknown origin)
50049007	5	ChEMBL_1648660 (CHEMBL3997716)	Inhibition of Cav1.2 (unknown origin) by patchXpress electrophysiology assay
50049007	6	ChEMBL_1648659 (CHEMBL3997715)	Inhibition of human ERG by patchXpress electrophysiology assay
50049007	7	ChEMBL_1648653 (CHEMBL3997709)	Inhibition of NK3 receptor (unknown origin) by FLIPR assay
50049007	8	ChEMBL_1648652 (CHEMBL3997708)	Inhibition of NK2 receptor (unknown origin) by FLIPR assay
50049007	9	ChEMBL_1648694 (CHEMBL3997750)	Inhibition of TRPA1 (unknown origin)
50049007	10	ChEMBL_1648696 (CHEMBL3997752)	Inhibition of TRPC6 (unknown origin)
50049007	11	ChEMBL_1648697 (CHEMBL3997753)	Inhibition of TRPM8 (unknown origin)
50049007	12	ChEMBL_1648698 (CHEMBL3997754)	Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by Whole cell patch-clamp method
50049007	13	ChEMBL_1648700 (CHEMBL3997756)	Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by Whole cell patch-clamp method
50049007	14	ChEMBL_1648701 (CHEMBL3997757)	Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in presence of 45Ca2+ by microbeta liquid scintillation counting method
50049007	15	ChEMBL_1648702 (CHEMBL3997758)	Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in presence of 45Ca2+ by microbeta liquid scintillation counting method
50049007	16	ChEMBL_1648661 (CHEMBL3997717)	Inhibition of Nav1.5 (unknown origin) by ionworks quattro electrophysiology assay
50049007	17	ChEMBL_1648695 (CHEMBL3997751)	Inhibition of TRPC3 (unknown origin)
50049007	18	ChEMBL_1648699 (CHEMBL3997755)	Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by Whole cell patch-clamp method
50049007	19	ChEMBL_1648703 (CHEMBL3997759)	Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced intracellular calcium after 10 mins in presence of 45Ca2+ by microbeta liquid scintillation counting method
50049008	1	ChEMBL_1649096 (CHEMBL3998230)	Inhibition of 15-LOX (unknown origin)
50049009	1	ChEMBL_1649109 (CHEMBL3998243)	Inhibition of VEGFR-2 in human U251 cells assessed as reduction in VEGF induced phosphorylation preincubated for 60 mins followed by VEGF addition measured after 10 mins by ELISA method
50049009	2	ChEMBL_1649110 (CHEMBL3998244)	Inhibition of EGFR in human A431 cells assessed as reduction in EGF induced phosphorylation preincubated for 60 mins followed by EGF addition measured after 10 mins by ELISA method
50049009	3	ChEMBL_1649111 (CHEMBL3998245)	Inhibition of PDGFR-beta in human SF539 cells assessed as reduction in PDGF-BB induced phosphorylation preincubated for 60 mins followed by PDGF-BB addition measured after 10 mins by ELISA method
50049010	1	ChEMBL_1649207 (CHEMBL3998341)	Inhibition of recombinant FGFR3 (unknown origin) using biotinylated peptide substrate GGGGQDGKDYIVLPI in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	2	ChEMBL_1649208 (CHEMBL3998342)	Inhibition of recombinant VEGFR1 (unknown origin) expressed in baculovirus infected insect cells using biotinylated peptide substrate GGGGQDGKDYIVLPI in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	3	ChEMBL_1649209 (CHEMBL3998343)	Inhibition of recombinant VEGFR2 (unknown origin) expressed in baculovirus infected insect cells using biotinylated peptide substrate GGGGQDGKDYIVLPI in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	4	ChEMBL_1649211 (CHEMBL3998345)	Inhibition of recombinant PDGFRbeta (unknown origin) expressed in baculovirus infected insect cells using biotinylated peptide substrate GGLFDDPSYVNVQNL in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	5	ChEMBL_1649212 (CHEMBL3998346)	Inhibition of recombinant human N-terminal GST/His6-tagged c-KIT (544 to 976 residues) expressed in baculovirus infected sf9 cells using biotinylated peptide substrate GGLFDDPSYVNVQNL in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	6	ChEMBL_1649214 (CHEMBL3998348)	Inhibition of recombinant human ABL using peptide substrate EAIYAAPFAKKK in presence of [33-P]ATP by kinase hotspot assay
50049010	7	ChEMBL_1649215 (CHEMBL3998349)	Inhibition of recombinant human Lyn using peptide substrate poly[Glu:Tyr] (4:1) in presence of [33-P]ATP by kinase hotspot assay
50049010	8	ChEMBL_1649216 (CHEMBL3998350)	Inhibition of recombinant human VEGFR2 using substrate poly[Glu:Tyr] (4:1) in presence of [33-P]ATP by kinase hotspot assay
50049010	9	ChEMBL_1649218 (CHEMBL3998352)	Inhibition of FGFR3 (unknown origin)
50049010	10	ChEMBL_1649219 (CHEMBL3998353)	Inhibition of FGFR4 (unknown origin)
50049010	11	ChEMBL_1649222 (CHEMBL3998356)	Inhibition of CSF-1R (unknown origin)
50049010	12	ChEMBL_1649224 (CHEMBL3998358)	Inhibition of recombinant His6-tagged FGFR2 (unknown origin) expressed in Escherichia coli BL21(DE3)-RILP using peptidic substrate by ELISA
50049010	13	ChEMBL_1649225 (CHEMBL3998359)	Inhibition of FGFR1 (unknown origin)
50049010	14	ChEMBL_1649226 (CHEMBL3998360)	Inhibition of human N-terminal GST-tagged FGFR4 cytoplasmic domain (460 to 802 end residues) expressed in baculovirus expression system using CSKtide as substrate after 90 mins
50049010	15	ChEMBL_1649227 (CHEMBL3998361)	Inhibition of human N-terminal GST-tagged FGFR1 cytoplasmic domain (398 to 822 residues) expressed in baculovirus expression system using CSKtide as substrate after 90 mins
50049010	16	ChEMBL_1649228 (CHEMBL3998362)	Inhibition of human N-terminal GST-tagged FGFR2 cytoplasmic domain (399 to 821 end residues) expressed in baculovirus expression system using CSKtide as substrate after 90 mins
50049010	17	ChEMBL_1649229 (CHEMBL3998363)	Inhibition of human N-terminal GST-tagged FGFR3 cytoplasmic domain (436 to 806 end residues) expressed in baculovirus expression system using CSKtide as substrate after 90 mins
50049010	18	ChEMBL_1649200 (CHEMBL3998334)	Inhibition of recombinant human FGFR1 in presence of ATP
50049010	19	ChEMBL_1649195 (CHEMBL3998329)	Inhibition of recombinant GST fused FGFR3 (unknown origin) using poly(EY) 4:1 as substrate in presence of [gamma-32P]ATP after 10 mins by scintillation counting method
50049010	20	ChEMBL_1649194 (CHEMBL3998328)	Inhibition of recombinant FGFR2 (unknown origin) using peptidic substrates in presence of ATP by Kinase-Glo luminescent kinase assay
50049010	21	ChEMBL_1649192 (CHEMBL3998326)	Inhibition of FGFR2 (unknown origin)
50049010	22	ChEMBL_1649191 (CHEMBL3998325)	Inhibition of recombinant full length human FGFR1 expressed in baculovirus infected insect cells in presence of [gamma-32P]ATP after 10 mins by scintillation counting based radioactive filter binding assay
50049010	23	ChEMBL_1649190 (CHEMBL3998324)	Inhibition of FGF induced FGFR1 autophosphorylation in mouse NIH 3T3 cells preincubated for 5 mins followed by FGF-stimulation for 5 mins in presence of [gamma-32P]ATP by SDS-PAGE based autoradiography
50049010	24	ChEMBL_1649189 (CHEMBL3998323)	Inhibition of FGFR1 kinase domain (unknown origin)
50049010	25	ChEMBL_1649197 (CHEMBL3998331)	Inhibition of VEGFR1 (unknown origin)
50049010	26	ChEMBL_1649198 (CHEMBL3998332)	Inhibition of VEGFR2 (unknown origin)
50049010	27	ChEMBL_1649199 (CHEMBL3998333)	Inhibition of VEGFR3 (unknown origin)
50049010	28	ChEMBL_1649203 (CHEMBL3998337)	Inhibition of recombinant human FGFR4 in presence of ATP
50049010	29	ChEMBL_1649202 (CHEMBL3998336)	Inhibition of recombinant human FGFR3 in presence of ATP
50049010	30	ChEMBL_1649204 (CHEMBL3998338)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50049010	31	ChEMBL_1649206 (CHEMBL3998340)	Inhibition of recombinant FGFR1 (unknown origin) expressed in baculovirus infected insect cells using biotinylated peptide substrate GGGGQDGKDYIVLPI in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	32	ChEMBL_1649210 (CHEMBL3998344)	Inhibition of recombinant VEGFR3 (unknown origin) expressed in baculovirus infected insect cells using biotinylated peptide substrate GGGGQDGKDYIVLPI in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	33	ChEMBL_1649213 (CHEMBL3998347)	Inhibition of recombinant human N-terminal GST/His6-tagged FLT3 (571 to 993 residues) expressed in baculovirus infected sf9 cells using biotinylated peptide substrate GGLFDDPSYVNVQNL in presence of ATP incubated for 1 to 4 hrs by time resolved fluorescence assay
50049010	34	ChEMBL_1649217 (CHEMBL3998351)	Inhibition of recombinant human FGFR1 using substrate KKKSPGEYVNIEFG in presence of [33-P]ATP by kinase hotspot assay
50049010	35	ChEMBL_1649223 (CHEMBL3998357)	Inhibition of recombinant His6-tagged FGFR1 (unknown origin) expressed in Escherichia coli BL21(DE3)-RILP using peptidic substrate by ELISA
50049010	36	ChEMBL_1649201 (CHEMBL3998335)	Inhibition of recombinant human FGFR2 in presence of ATP
50049010	37	ChEMBL_1649193 (CHEMBL3998327)	Inhibition of recombinant FGFR1 (unknown origin) using peptidic substrates in presence of ATP by Kinase-Glo luminescent kinase assay
50049010	38	ChEMBL_1649196 (CHEMBL3998330)	Inhibition of recombinant FGFR4 (unknown origin) using peptidic substrates in presence of ATP by Kinase-Glo luminescent kinase assay
50049011	1	ChEMBL_1649249 (CHEMBL3998383)	Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured at 1 min interval by fluorimetric method
50049011	2	ChEMBL_1649250 (CHEMBL3998384)	Inhibition of recombinant TDP1 (unknown origin) assessed as reduction in BHQ1 excision from 3'-end of [32P]-labeled oligonucleotide substrate after 20 mins by polyacrilamide gel electrophoresis
50049012	1	ChEMBL_1649348 (CHEMBL3998482)	Inhibition of full length PHGDH (unknown origin) using 3-phosphoglycerate as substrate incubated for 60 mins in presence of PSAT1, PSPH by resazurin based diaphorase coupled assay
50049012	2	ChEMBL_1649342 (CHEMBL3998476)	Binding affinity to PHGDH (unknown origin) by surface plasma resonance method
50049012	3	ChEMBL_1649344 (CHEMBL3998478)	Inhibition of PHGDH (unknown origin) by FLINT method
50049012	4	ChEMBL_1649343 (CHEMBL3998477)	Inhibition of human liver N-terminal His6-tagged PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3 -phosphoglycerate as substarte measured at 20 mins by resazurin based diaphorase coupled assay
50049012	5	ChEMBL_1649350 (CHEMBL3998484)	Binding affinity to human N-terminal His6-tagged truncated PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by ITC assay
50049012	6	ChEMBL_1649351 (CHEMBL3998485)	Inhibition of PHGDH (unknown origin) expressed in Escherichia coli BL21 using 3 -phosphoglycerate as substrate preincubated for 30 mins followed by substrate addition in presence of PSAT1 by NADH fluorescence assay
50049012	7	ChEMBL_1649347 (CHEMBL3998481)	Inhibition of PHGDH (unknown origin) expressed in Escherichia coli BL21 using 3-phosphoglycerate as substrate preincubated for 4 hrs followed by substrate addition in presence of PSAT1 by NADH fluorescence assay
50049013	3	ChEMBL_1649358 (CHEMBL3998492)	Displacement of [3H]strychnine from recombinant human glycine receptor alpha 1 expressed in HEK293 cell membranes after 30 mins by liquid scintillation counting method
50049013	2	ChEBML_1649353	Antagonist activity at recombinant human glycine receptor alpha 1 expressed in human tsA201 cells assessed as inhibition of glycine-induced receptor activation after 30 mins by FLIPR membrane potential blue assay
50049013	7	ChEMBL_1649353 (CHEMBL3998487)	Antagonist activity at recombinant human glycine receptor alpha 1 expressed in human tsA201 cells assessed as inhibition of glycine-induced receptor activation after 30 mins by FLIPR membrane potential blue assay
50049013	1	ChEBML_1649354	Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced receptor activation after 30 mins by FLIPR membrane potential blue assay
50049013	6	ChEMBL_1649355 (CHEMBL3998489)	Antagonist activity at recombinant human glycine receptor alpha 1 expressed in HEK293 cells assessed as inhibition of glycine-induced current at -50 mV holding potential by whole cell patch-clamp method
50049013	8	ChEMBL_1649354 (CHEMBL3998488)	Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced receptor activation after 30 mins by FLIPR membrane potential blue assay
50049013	4	ChEMBL_1649356 (CHEMBL3998490)	Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at -50mV holding potential by whole cell patch-clamp method
50049013	5	ChEMBL_1649357 (CHEMBL3998491)	Displacement of [3H]strychnine from glycine receptor alpha 1 in rat brain synaptic membranes
50049014	1	ChEMBL_1649450 (CHEMBL3998584)	Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay
50049014	2	ChEMBL_1649452 (CHEMBL3998586)	Inhibition of human CYP1A2 expressed in baculovirus-infected insect cells using Luciferin-1A2 as substrate in presence of NADPH by P450-Glo luminescence assay
50049014	3	ChEMBL_1649454 (CHEMBL3998588)	Inhibition of human CYP2C9 expressed in baculovirus-infected insect cells using Luciferin-H as substrate in presence of NADPH by P450-Glo luminescence assay
50049014	4	ChEMBL_1649456 (CHEMBL3998590)	Inhibition of human CYP2C19 expressed in baculovirus-infected insect cells using Luciferin-H EGE as substrate in presence of NADPH by P450-Glo luminescence assay
50049014	5	ChEMBL_1649458 (CHEMBL3998592)	Inhibition of human CYP2D6 expressed in baculovirus-infected insect cells using Luciferin-ME EGE as substrate in presence of NADPH by P450-Glo luminescence assay
50049014	6	ChEMBL_1649460 (CHEMBL3998594)	Inhibition of human CYP3A4 expressed in baculovirus-infected insect cells using Luciferin-PFBE as substrate in presence of NADPH by P450-Glo luminescence assay
50049015	1	ChEMBL_1649508 (CHEMBL3998642)	Inhibition of rat muscle glycogen phosphorylase A assessed as release of inorganic phosphate from glucose-1- phosphate in presence of glycogen after 30 mins by malachite green based assay
50049016	1	ChEMBL_1649543 (CHEMBL3998677)	Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 using [32P]-gamma-ATP assessed as decrease in incorporation of radioactivity into E1 protein incubated for 2 mins
50049016	2	ChEMBL_1649544 (CHEMBL3998678)	Inhibition of recombinant human PDK1 in presence of E1 protein incubated for 10 mins by titration assay
50049016	3	ChEMBL_1649545 (CHEMBL3998679)	Inhibition of recombinant human PDK3 in presence of E1 protein incubated for 10 mins by titration assay
50049016	4	ChEMBL_1649547 (CHEMBL3998681)	Inhibition of recombinant human PDK1 in presence of E1 protein and PDC core E2/E3BP incubated for 10 mins by titration assay
50049016	5	ChEMBL_1649548 (CHEMBL3998682)	Inhibition of N-terminal His6-SUMO tagged recombinant human PDK2 in presence of E1 protein and PDC core E2/E3BP incubated for 10 mins by titration assay
50049016	6	ChEMBL_1649549 (CHEMBL3998683)	Inhibition of recombinant human PDK3 in presence of E1 protein and PDC core E2/E3BP incubated for 10 mins by titration assay
50049016	7	ChEMBL_1649551 (CHEMBL3998685)	Binding affinity to N-terminal His6-SUMO tagged recombinant human PDK2 by isothermal titration calorimetry
50049016	8	ChEMBL_1649546 (CHEMBL3998680)	Inhibition of recombinant human PDK4 in presence of E1 protein incubated for 10 mins by titration assay
50049016	9	ChEMBL_1649550 (CHEMBL3998684)	Inhibition of recombinant human PDK4 in presence of E1 protein and PDC core E2/E3BP incubated for 10 mins by titration assay
50049017	1	ChEBML_1649599	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence counting method
50049017	3	ChEMBL_1649598 (CHEMBL3998732)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence counting method
50049017	4	ChEMBL_1649599 (CHEMBL3998733)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence counting method
50049017	2	ChEMBL_1649601 (CHEMBL3998735)	Inverse agonist activity at human CB2 receptor expressed in HEK293 EBNA cell membranes after 30 mins by [35S]-GTPgammaS binding assay
50049018	1	ChEMBL_1649602 (CHEMBL3998736)	Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method
50049019	1	ChEMBL_1649650 (CHEMBL3998784)	Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins for 2 to 12 sec by fluorescence assay
50049019	2	ChEMBL_1649652 (CHEMBL3998786)	Activation of human CFTR expressed in forskolin-stimulated basolateral membrane permeabilized FRT cells co-expressing YFP assessed as increase in short-circuit current by voltage clamp method
50049020	1	ChEMBL_1649712 (CHEMBL3998846)	Inhibition of human ALK1 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	2	ChEMBL_1649713 (CHEMBL3998847)	Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	3	ChEMBL_1649680 (CHEMBL3998814)	Inhibition of human ALK3 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	4	ChEMBL_1649714 (CHEMBL3998848)	Inhibition of human ALK4 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	5	ChEMBL_1649715 (CHEMBL3998849)	Inhibition of human ALK5 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	6	ChEMBL_1649716 (CHEMBL3998850)	Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay
50049020	7	ChEMBL_1649717 (CHEMBL3998851)	Inhibition of human ALK1 using casein as substrate in presence of 200 uM ATP by radiometric kinase assay
50049020	8	ChEMBL_1649693 (CHEMBL3998827)	Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	9	ChEMBL_1649692 (CHEMBL3998826)	Inhibition of human FLT3 using EAIYAAPFAKKK peptide as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	10	ChEMBL_1649678 (CHEMBL3998812)	Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	11	ChEMBL_1649679 (CHEMBL3998813)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	12	ChEMBL_1649691 (CHEMBL3998825)	Inhibition of human MEK2 using ERK2 as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	13	ChEMBL_1649690 (CHEMBL3998824)	Inhibition of human MKK6 using p38a as substrate in presence of [gamma-33P]-ATP by scintillation counting method
50049020	14	ChEMBL_1649718 (CHEMBL3998852)	Inhibition of human ALK2 using casein as substrate in presence of 200 uM ATP by radiometric kinase assay
50049021	1	ChEBML_1649739	Inhibition of human KDAC8 after 60 mins by fluorescence assay
50049021	2	ChEBML_1649742	Inhibition of human KDAC1 using substrate A after 60 mins by fluorescence assay
50049021	3	ChEBML_1649741	Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay
50049021	4	ChEBML_1649740	Inhibition of human KDAC6 using FITC-labeled histone H4 acetylated peptide as substrate after 60 mins by fluorescence assay
50049021	5	ChEBML_1649742	Inhibition of human KDAC1 using substrate A after 60 mins by fluorescence assay
50049021	6	ChEBML_1649739	Inhibition of human KDAC8 after 60 mins by fluorescence assay
50049021	7	ChEBML_1649741	Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay
50049021	8	ChEMBL_1649740 (CHEMBL3998874)	Inhibition of human KDAC6 using FITC-labeled histone H4 acetylated peptide as substrate after 60 mins by fluorescence assay
50049021	9	ChEMBL_1649739 (CHEMBL3998873)	Inhibition of human KDAC8 after 60 mins by fluorescence assay
50049021	10	ChEMBL_1649741 (CHEMBL3998875)	Inhibition of human KDAC3 using FITC-labeled p53 acetylated peptide as substrate after 60 mins by fluorescence assay
50049021	11	ChEMBL_1649742 (CHEMBL3998876)	Inhibition of human KDAC1 using substrate A after 60 mins by fluorescence assay
50049022	1	ChEMBL_1649803 (CHEMBL3998937)	Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye based matrigel-mediated Boyden chamber assay
50049022	2	ChEBML_1649803	Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye based matrigel-mediated Boyden chamber assay
50049022	10	ChEMBL_1649787 (CHEMBL3998921)	Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based FS-3 substrate measured every 2 mins for 1 hr by fluorescence assay
50049022	8	ChEMBL_1649813 (CHEMBL3998947)	Inhibition of ATX (unknown origin)
50049022	5	ChEMBL_1649817 (CHEMBL3998951)	Agonist activity at FLAG-tagged LPA5 receptor (unknown origin) expressed in rat B103 cells assessed as increase in intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049022	7	ChEMBL_1649816 (CHEMBL3998950)	Agonist activity at LPA4 receptor (unknown origin) expressed in CHO cells assessed as increase in intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049022	3	ChEMBL_1649796 (CHEMBL3998930)	Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049022	4	ChEMBL_1649786 (CHEMBL3998920)	Agonist activity at LPA2 receptor (unknown origin) expressed in MEF cells assessed as increase in intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049022	6	ChEMBL_1649815 (CHEMBL3998949)	Agonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as increase in intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049022	9	ChEMBL_1649814 (CHEMBL3998948)	Agonist activity at LPA3 receptor (unknown origin) expressed in rat RH7777 cells assessed as increase in intracellular calcium level measured every 3.42 secs for 70 secs by Fura-2-AM dye based fluorescence assay
50049023	4	ChEMBL_1649819 (CHEMBL3998953)	Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interval for 5 mins
50049023	1	ChEMBL_1649827 (CHEMBL3998961)	Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate
50049023	2	ChEBML_1649827	Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate
50049023	5	ChEMBL_1649818 (CHEMBL3998952)	Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interval for 5 mins
50049023	3	ChEBML_1649819	Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interval for 5 mins
50049024	2	ChEMBL_1649840 (CHEMBL3998974)	Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by luciferase reporter gene assay
50049024	3	ChEMBL_1649843 (CHEMBL3998977)	Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay
50049024	1	ChEMBL_1649839 (CHEMBL3998973)	Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay
50049025	1	ChEMBL_1649906 (CHEMBL3999040)	Inhibition of Bodipy-cyclopamine binding to mouse FLAG-tagged Smo expressed in HEK293 cells after 3 hrs by Hoechst staining based fluorescence assay
50049026	1	ChEMBL_1649938 (CHEMBL3999072)	Binding affinity to NT647-labeled His-tagged NM23-H2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by microscale thermophoresis method
50049027	1	ChEMBL_1650093 (CHEMBL3999227)	Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced sustained current by whole cell patch clamp method relative to control
50049027	2	ChEMBL_1650112 (CHEMBL3999246)	Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhibition of VTD-induced tail current by whole cell patch clamp method relative to control
50049028	1	ChEMBL_1650169 (CHEMBL3999303)	Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis by measuring cellular ATP level at 21 hrs post-stimulation by CellTiter-Glo luminescent cell viability assay
50049028	2	ChEMBL_1650170 (CHEMBL3999304)	Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis at 21 hrs post-stimulation by LDH release assay
50049028	3	ChEMBL_1650171 (CHEMBL3999305)	Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-MIP-1beta production at 21 hrs post-stimulation by sandwich ELISA
50049028	4	ChEMBL_1650176 (CHEMBL3999310)	Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell viability assay
50049028	5	ChEMBL_1650179 (CHEMBL3999313)	Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino-[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate from mouse RIP1 (1 to 378 residues) expressed in baculovirus infected insect cells measured for 50 mins by fluorescence polarization assay
50049028	6	ChEMBL_1650133 (CHEMBL3999267)	Inhibition of recombinant human CYP2C9
50049028	7	ChEMBL_1650134 (CHEMBL3999268)	Inhibition of human ERG expressed in HEK293 cells
50049028	8	ChEMBL_1650126 (CHEMBL3999260)	Activation of human PXR
50049028	9	ChEMBL_1650162 (CHEMBL3999296)	Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured after 5 hrs by ADP-Glo luminescence assay
50049028	10	ChEMBL_1650161 (CHEMBL3999295)	Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino-[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate from human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells measured for 50 mins by fluorescence polarization assay
50049028	11	ChEMBL_1650163 (CHEMBL3999297)	Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell viability assay
50049028	12	ChEMBL_1650172 (CHEMBL3999306)	Inhibition of RIP1 in human whole blood assessed as reduction in TNFalpha/QCD-OPh/zVAD FMK/SMAC mimetic RMT 5265-MIP-1beta production after 6 hrs by sandwich ELISA
50049029	1	ChEMBL_1650236 (CHEMBL3999370)	Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) using T(S)2 as substrate incubated for 30 mins in presence of NADPH measured for 30 mins
50049030	1	ChEMBL_1650363 (CHEMBL3999497)	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins
50049030	2	ChEMBL_1650364 (CHEMBL3999498)	Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins
50049030	3	ChEMBL_1650374 (CHEMBL3999508)	Competitive inhibition of recombinant human MAO-A using 0.01 to 0.5 mM kynuramine substrate by Lineweaver-Burk plot analysis
50049030	4	ChEMBL_1650375 (CHEMBL3999509)	Inhibition of recombinant human liver MAO-A expressed in yeast using kynuramine as substrate preincubated for 3 mins followed by substrate addition by double reciprocal plot analysis
50049030	5	ChEMBL_1650368 (CHEMBL3999502)	Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 30 mins followed by substrate addition
50049030	6	ChEMBL_1650377 (CHEMBL3999511)	Competitive inhibition of recombinant human MAO-A using varying levels of kynuramine substrate after 5 mins by Lineweaver-Burk plot analysis
50049031	1	ChEMBL_1650379 (CHEMBL3999513)	Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as decrease in receptor transcriptional activity after 45 hrs by luciferase reporter gene assay
50049031	2	ChEMBL_1650380 (CHEMBL3999514)	Inverse agonist activity at GAL4-DNA binding domain-fused mouse ERRgamma ligand binding domain expressed in African green monkey CV1 cells assessed as decrease in receptor transcriptional activity after 45 hrs by luciferase reporter gene assay
50049032	1	ChEMBL_1650402 (CHEMBL3999536)	Inhibition of human mPGES1 expressed in HEK293 microsomes assessed as reduction in PGE2 production using PGH2 as substrate after 2.5 mins by LC-MS analysis
50049032	2	ChEMBL_1650403 (CHEMBL3999537)	Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS addition measured after 20 to 24 hrs by LC-MS analysis
50049032	3	ChEMBL_1650406 (CHEMBL3999540)	Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by IL-1beta addition measured after 18 hrs by enzyme immunoassay
50049033	1	ChEMBL_1650507 (CHEMBL3999641)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor after 1 hr
50049033	2	ChEMBL_1650506 (CHEMBL3999640)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor after 1 hr
50049033	3	ChEMBL_1650505 (CHEMBL3999639)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor after 1 hr
50049033	4	ChEMBL_1650504 (CHEMBL3999638)	Displacement of [3H]SCH23390 from human dopamine D1 receptor after 1 hr
50049033	5	ChEMBL_1650508 (CHEMBL3999642)	Displacement of [3H]SCH23390 from human dopamine D5 receptor after 1 hr
50049033	6	ChEMBL_1650509 (CHEMBL3999643)	Displacement of [3H]SCH23390 from human 3HA-tagged dopamine D1 receptor expressed in HEK293 cells after 1 hr
50049033	7	ChEMBL_1650510 (CHEMBL3999644)	Displacement of [3H]SCH23390 from human FLAG-tagged dopamine D2 receptor expressed in HEK293 cells after 1 hr
50049033	8	ChEMBL_1650511 (CHEMBL3999645)	Displacement of [3H]SCH23390 from human FLAG-tagged dopamine D3 receptor expressed in HEK293 cells after 1 hr
50049033	9	ChEMBL_1650512 (CHEMBL3999646)	Displacement of [3H]SCH23390 from human dopamine D4 receptor expressed in HEK293 cells after 1 hr
50049033	10	ChEMBL_1650513 (CHEMBL3999647)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293 cells after 1 hr
50049034	1	ChEMBL_1650523 (CHEMBL3999657)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-amidomethylcoumarin as substrate by fluorometric method
50049034	2	ChEMBL_1650525 (CHEMBL3999659)	Competitive inhibition of recombinant Trypanosoma cruzi cruzain in presence of varying levels of Z-phe-Arg-amidomethylcoumarin substrate by Lineweaver-Burk plot analysis
50049035	5	ChEMBL_1650586 (CHEMBL3999720)	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A addition by FLIPR assays
50049035	1	ChEMBL_1650583 (CHEMBL3999717)	Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHOK1 cell membranes
50049035	2	ChEBML_1650584	Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in CHOK1 cell membranes
50049035	3	ChEBML_1650586	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A addition by FLIPR assays
50049035	4	ChEMBL_1650587 (CHEMBL3999721)	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as reduction in orexin A-induced calcium flux preincubated followed by orexin A addition by FLIPR assays
50049035	6	ChEMBL_1650584 (CHEMBL3999718)	Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in CHOK1 cell membranes
50049036	1	ChEBML_1650595	Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay
50049036	4	ChEMBL_1650596 (CHEMBL3999730)	Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay
50049036	3	ChEBML_1650596	Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay
50049036	5	ChEMBL_1650595 (CHEMBL3999729)	Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins by FLIPR assay
50049036	6	ChEMBL_1650621 (CHEMBL3999755)	Inhibition of human ERG
50049037	1	ChEMBL_1650625 (CHEMBL3999759)	Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation by measuring increase in NBT positive cells by Wright staining based microscopic method
50049037	2	ChEMBL_1650623 (CHEMBL3999757)	Inhibition of Fluormone VDR Red binding to human VDR LBD expressed in insect cells assessed as binding ability by fluorescence polarization assay
50049038	1	ChEMBL_1650686 (CHEMBL3999820)	Competitive inhibition of recombinant human cathepsin K expressed in Pichia pastoris using Z-FR-MCA as substrate by Dixon plot method
50049039	1	ChEMBL_1650711 (CHEMBL3999845)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system by Z'-Lyte assay
50049040	1	ChEMBL_1650739 (CHEMBL3999873)	Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
50049040	2	ChEMBL_1650738 (CHEMBL3999872)	Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
50049041	1	ChEMBL_1650752 (CHEMBL3999886)	Negative allosteric modulation of rat M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization preincubated for 150 secs followed by acetyl choline addition by Fluo-4-AM dye based fluorescence assay
50049041	2	ChEMBL_1650749 (CHEMBL3999883)	Negative allosteric modulation of human M5 receptor expressed in CHO cells assessed as inhibition of acetyl choline-induced calcium mobilization preincubated for 150 secs followed by acetyl choline addition by Fluo-4-AM dye based fluorescence assay
50049042	1	ChEMBL_1650773 (CHEMBL3999907)	Inhibition of Cav1.2 (unknown origin)
50049042	2	ChEMBL_1650767 (CHEMBL3999901)	Inhibition of BTK in human PBMC
50049042	3	ChEMBL_1650766 (CHEMBL3999900)	Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-NH2 as substrate preincubated for 60 mins followed by substrate addition measured after 120 mins by LANCE TR-FRET assay
50049042	4	ChEMBL_1650772 (CHEMBL3999906)	Inhibition of human ERG
50049042	5	ChEMBL_1650774 (CHEMBL3999908)	Inhibition of Nav1.5 (unknown origin)
50049043	1	ChEMBL_1650803 (CHEMBL3999937)	Inhibition of recombinant human HSL expressed in baculovirus infected sf9 cells using PNPB as substrate after 5 mins by spectrophotometric method
50049044	1	ChEMBL_1650833 (CHEMBL3999967)	Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50049044	2	ChEMBL_1650831 (CHEMBL3999965)	Displacement of [3H]DPN from zebrafish mu opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50049044	3	ChEMBL_1650832 (CHEMBL3999966)	Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50049045	1	ChEMBL_1650842 (CHEMBL3999976)	Inhibition of His-tagged XIAP BIR3 (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by HTRF assay
50049046	1	ChEMBL_1650851 (CHEMBL3999985)	Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs
50049046	2	ChEMBL_1650850 (CHEMBL3999984)	Inhibition of human N-terminal His-tagged IDO1 expressed in Escherichia coli using D-Trp as substrate
50049046	3	ChEMBL_1650863 (CHEMBL3999997)	Inhibition of IDO1 in IFN-gamma/LPS-stimulated human whole blood assessed as decrease in kynurenine levels preincubated for 15 mins followed by IFN-gamma/LPS stimulation for overnight by LC/MS/MS analysis
50049046	4	ChEMBL_1650844 (CHEMBL3999978)	Competitive inhibition of IDO1 (unknown origin)
50049047	1	ChEMBL_1650892 (CHEMBL4000026)	Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay
50049047	2	ChEMBL_1650893 (CHEMBL4000027)	Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay
50049048	1	ChEMBL_1650912 (CHEMBL4000046)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50049049	1	ChEMBL_1650932 (CHEMBL4000066)	Inhibition of His-tagged cytoplasmic recombinant human FGFR1 (308 to 731 residues) expressed in baculovirus expression system using Tyr 4 peptide as substrate incubated for 1 hr by FRET-based Z'-Lyte assay
50049049	2	ChEMBL_1650935 (CHEMBL4000069)	Inhibition of His-tagged cytoplasmic recombinant human FGFR4 (781 to 1338 residues) expressed in baculovirus expression system using Tyr 4 peptide as substrate incubated for 1 hr by FRET-based Z'-Lyte assay
50049049	3	ChEMBL_1650943 (CHEMBL4000077)	Binding affinity to ATP binding site of human FGFR4 after 1 hr by qPCR method
50049049	4	ChEMBL_1650933 (CHEMBL4000067)	Inhibition of His-tagged cytoplasmic recombinant human FGFR2 (403 to 822 residues) expressed in baculovirus expression system using Tyr 4 peptide as substrate incubated for 1 hr by FRET-based Z'-Lyte assay
50049049	5	ChEMBL_1650934 (CHEMBL4000068)	Inhibition of His-tagged cytoplasmic recombinant human FGFR3 (399 to 806 residues) expressed in baculovirus expression system using Tyr 4 peptide as substrate incubated for 1 hr by FRET-based Z'-Lyte assay
50049050	1	ChEMBL_1650953 (CHEMBL4000087)	Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP accumulation after 40 mins by HTRF assay
50049050	2	ChEMBL_1650952 (CHEMBL4000086)	Agonist activity at TGR5 in mouse STC1 cells assessed as increase in cAMP accumulation after 40 mins by mass spectrometric method
50049051	1	ChEBML_1650996	Inhibition of human CYP2D6
50049051	2	ChEMBL_1650976 (CHEMBL4000110)	Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-5 production after 6 to 8 hrs
50049051	3	ChEMBL_1650965 (CHEMBL4000099)	Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50049051	4	ChEBML_1650983	Antagonist activity at DP1 receptor (unknown origin)
50049051	5	ChEMBL_1650967 (CHEMBL4000101)	Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followed by DK-PGD2 addition measured after 5 mins by flow cytometry
50049051	14	ChEMBL_1650982 (CHEMBL4000116)	Displacement of [3H]NVP-QAW039 from human DP2 receptor expressed in CHO cell membranes by TopCount scintillation assay
50049051	20	ChEMBL_1650997 (CHEMBL4000131)	Inhibition of human CYP3A4
50049051	6	ChEBML_1650967	Antagonist activity at DP2 receptor in human whole assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 5 mins followed by DK-PGD2 addition measured after 5 mins by flow cytometry
50049051	21	ChEMBL_1650966 (CHEMBL4000100)	Antagonist activity at DP2 receptor in human isolated eosinophils assessed as inhibition of DK-PGD2-induced shape change preincubated for 5 mins followed by DK-PGD2 addition measured after 5 mins by flow cytometry
50049051	17	ChEMBL_1650995 (CHEMBL4000129)	Inhibition of human CYP2C9
50049051	13	ChEMBL_1650991 (CHEMBL4000125)	Antagonist activity at IP receptor (unknown origin)
50049051	8	ChEMBL_1650977 (CHEMBL4000111)	Antagonist activity at DP2 receptor in CD4-positive human TH2 cells assessed as inhibition of DK-PGD2-induced IL-13 production after 6 to 8 hrs
50049051	9	ChEMBL_1650988 (CHEMBL4000122)	Agonist activity at EP3 receptor (unknown origin)
50049051	19	ChEMBL_1650986 (CHEMBL4000120)	Antagonist activity at FP receptor (unknown origin)
50049051	16	ChEMBL_1650984 (CHEMBL4000118)	Antagonist activity at EP2 receptor (unknown origin)
50049051	15	ChEMBL_1650994 (CHEMBL4000128)	Inhibition of human CYP1A2
50049051	10	ChEMBL_1650989 (CHEMBL4000123)	Antagonist activity at EP3 receptor (unknown origin)
50049051	7	ChEMBL_1650987 (CHEMBL4000121)	Antagonist activity at TP receptor (unknown origin)
50049051	12	ChEMBL_1650990 (CHEMBL4000124)	Agonist activity at IP receptor (unknown origin)
50049051	18	ChEMBL_1650985 (CHEMBL4000119)	Antagonist activity at EP4 receptor (unknown origin)
50049052	1	ChEBML_1651002	Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method
50049052	2	ChEBML_1651003	Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method
50049052	3	ChEMBL_1651004 (CHEMBL4000259)	Inhibition of human CA9 by stopped-flow CO2 hydration method
50049052	4	ChEMBL_1651005 (CHEMBL4000260)	Inhibition of human CA12 by stopped-flow CO2 hydration method
50049052	5	ChEMBL_1651002 (CHEMBL4000257)	Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method
50049052	6	ChEMBL_1651003 (CHEMBL4000258)	Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method
50049053	1	ChEMBL_1651006 (CHEMBL4000261)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method
50049053	2	ChEMBL_1651010 (CHEMBL4000265)	Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30 mins
50049053	3	ChEMBL_1651008 (CHEMBL4000263)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method
50034020	1	ChEMBL_776557 (CHEMBL1913654)	Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay
50034020	2	ChEMBL_776436 (CHEMBL1913533)	Inhibition of human recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by fluorescence assay
50034020	3	ChEMBL_776445 (CHEMBL1913542)	Binding affinity to human ERG
50034020	4	ChEMBL_776446 (CHEMBL1913543)	Inhibition of CYP3A4
50034021	1	ChEMBL_776454 (CHEMBL1913551)	Inhibition of recombinant human His-tagged glyoxalase 1 expressed in Escherichia coli BL21 assessed as formation of S-D-lactoylglutathione after 5 mins by spectrophotometric method
50034022	1	ChEMBL_776578 (CHEMBL1913675)	Antagonist activity at FP receptor in mouse myometrial strip assessed as inhibition of PGF-2alpha-induced contractions
50034022	2	ChEMBL_776579 (CHEMBL1913676)	Antagonist activity at FP receptor in bovine myometrial strip assessed as inhibition of PGF-2alpha-induced contractions
50034022	3	ChEMBL_776622 (CHEMBL1913719)	Antagonist activity at FP receptor in sheep myometrial strip assessed as inhibition of PGF-2alpha-induced contractions
50049053	4	ChEMBL_1651011 (CHEMBL4000266)	Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 8 data points after 30 mins
50049053	5	ChEMBL_1651007 (CHEMBL4000262)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method
50034024	1	ChEMBL_776474 (CHEMBL1913571)	Stabilization of Pdcd4 expressed in human HEK293 cells assessed as inhibition of TPA-induced degradation by luciferase reporter assay
50034025	1	ChEMBL_776522 (CHEMBL1913619)	Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay
50034025	2	ChEMBL_776521 (CHEMBL1913618)	Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay
50034025	3	ChEMBL_776520 (CHEMBL1913617)	Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents after 4 hrs by fluorimetry
50034025	4	ChEMBL_776524 (CHEMBL1913621)	Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay
50034025	5	ChEMBL_776531 (CHEMBL1913628)	Antagonist activity at M3 receptor in Dunkin-Hartley guinea pig tracheal strips assessed as inhibition of electrically field-stimulated contractile response after 8 hrs
50034025	6	ChEMBL_776583 (CHEMBL1913680)	Displacement of [3H]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay
50034025	7	ChEMBL_776585 (CHEMBL1913682)	Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay
50034025	8	ChEMBL_776587 (CHEMBL1913684)	Displacement of [3H]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay
50034025	9	ChEMBL_776589 (CHEMBL1913686)	Displacement of [3H]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay
50034026	1	ChEMBL_776871 (CHEMBL1914005)	Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay
50034026	2	ChEMBL_776872 (CHEMBL1914006)	Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay
50034026	3	ChEMBL_776873 (CHEMBL1914007)	Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by FRET assay
50034026	4	ChEMBL_776870 (CHEMBL1914004)	Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 40 mins by FRET assay
50034026	5	ChEMBL_776876 (CHEMBL1914010)	Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated for 20 mins by Lineweaver-Burk plot
50034026	6	ChEMBL_776869 (CHEMBL1914003)	Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide by FRET assay
50034027	1	ChEMBL_776877 (CHEMBL1914011)	Irreversible inhibition of PAD4 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluorometric analysis
50034027	2	ChEMBL_776880 (CHEMBL1914014)	Irreversible inhibition of PAD3 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluorometric analysis
50034027	3	ChEMBL_776878 (CHEMBL1914012)	Irreversible inhibition of PAD1 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluorometric analysis
50034027	4	ChEMBL_776879 (CHEMBL1914013)	Irreversible inhibition of PAD2 assessed as hydrolysis of benzoyl-L-arginine ethyl ester preincubated for 15 mins measured after 15 mins by fluorometric analysis
50034028	3	ChEMBL_776283 (CHEMBL1914128)	Inhibition of human recombinant PI3K p110beta expressed in Sf21 insect cells using phosphatidylinositol as substrate after 1 hr by phosphoimaging
50034028	4	ChEMBL_776277 (CHEMBL1914122)	Inhibition of human His-tagged PI3K p110delta after 2 hrs by HTRF assay
50034028	5	ChEMBL_776276 (CHEMBL1914121)	Inhibition of human His-tagged PI3K p110gamma after 2 hrs by HTRF assay
50034028	2	ChEMBL_776272 (CHEMBL1914069)	Inhibition of PIK3CA-mediated cell signaling in PTEN-deficient human U87MG cells assessed as inhibition of insulin-induced pAkt/PKB phosphorylation at Ser473 treated for 15 mins before insulin challenge measured after 5 mins by immunoblotting
50049054	1	ChEMBL_1651022 (CHEMBL4000277)	Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis
50049054	2	ChEMBL_1651035 (CHEMBL4000290)	Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as induction of ERK1/2 phosphorylation incubated for 5 mins by AlphaScreen assay
50049054	3	ChEMBL_1651024 (CHEMBL4000279)	Displacement of [3H]NMS from human mAChR1 receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis
50049054	4	ChEMBL_1651025 (CHEMBL4000280)	Partial agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization
50049054	5	ChEMBL_1651027 (CHEMBL4000282)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method
50049054	6	ChEMBL_1651031 (CHEMBL4000286)	Agonist activity at human mAChR1 receptor expressed in F1pIn CHO cells assessed as induction of intracellular calcium mobilization
50049054	7	ChEMBL_1651029 (CHEMBL4000284)	Agonist activity at human dopamine D2L receptor expressed in F1pIn CHO cells assessed as increase in forskolin-mediated cAMP accumulation incubated for 30 mins by AlphaScreen assay
50049055	1	ChEMBL_1651041 (CHEMBL4000296)	Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-catenin-mediated transcriptional activity after 24 hrs by Steady-Glo luciferase assay
50034029	1	ChEMBL_776310 (CHEMBL1914161)	Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 response element by luciferase reporter gene assay
50034029	2	ChEMBL_776314 (CHEMBL1914165)	Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay
50034029	3	ChEMBL_776312 (CHEMBL1914163)	Transrepression activity at glucocorticoid receptor alpha in IL-1beta-stimulated human A549 cells assessed as inhibition of NFkappaB-dependent E-selectin transcription by luciferase reporter gene assay
50034029	4	ChEMBL_776309 (CHEMBL1914160)	Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay
50034029	5	ChEMBL_776308 (CHEMBL1914153)	Displacement of fluorescently labeled ligand from ERalpha receptor by fluorescence polarization assay
50034029	6	ChEMBL_776307 (CHEMBL1914152)	Displacement of fluorescently labeled ligand from androgen receptor by fluorescence polarization assay
50034029	7	ChEMBL_776306 (CHEMBL1914151)	Displacement of fluorescently labeled ligand from progesterone receptor by fluorescence polarization assay
50034029	8	ChEMBL_776305 (CHEMBL1914150)	Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay
50034029	9	ChEMBL_776316 (CHEMBL1914167)	Transactivation activity at glucocorticoid receptor alpha human 13D3/Huh7 cells assessed as induction of TAT activity after 4 hrs by spectrophotometry
50034029	10	ChEMBL_776318 (CHEMBL1914169)	Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay
50034030	1	ChEMBL_776375 (CHEMBL1914226)	Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay
50034030	2	ChEMBL_776383 (CHEMBL1914234)	Activation of human PXR in DPX2 cells after 24 hrs by microplate reader relative to control
50034031	1	ChEMBL_776493 (CHEMBL1913590)	Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry
50034032	1	ChEMBL_776544 (CHEMBL1913641)	Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA
50034033	1	ChEMBL_776884 (CHEMBL1914018)	Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay
50034033	2	ChEMBL_776885 (CHEMBL1914019)	Antagonist activity at OX1R intracellular calcium mobilization by FLIPR assay
50034034	1	ChEMBL_776200 (CHEMBL1912624)	Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay
50034034	2	ChEMBL_776199 (CHEMBL1912623)	Inhibition of human recombinant MAO-A expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay
50034035	1	ChEMBL_774944 (CHEMBL1913449)	Antagonist activity at OX2R expressed in dihydrofolate reductase deficient CHO cells assessed as inhibition of orexin A-induced intracellular calcium mobilization by FLIPR assay
50034035	2	ChEMBL_774945 (CHEMBL1913450)	Antagonist activity at OX1R expressed in dihydrofolate reductase deficient CHO cells assessed as inhibition of orexin A-induced intracellular calcium mobilization by FLIPR assay
50034036	1	ChEMBL_775052 (CHEMBL1912247)	Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay
50034036	2	ChEMBL_775053 (CHEMBL1912248)	Inhibition of human serum recombinant BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay
50034037	1	ChEMBL_775144 (CHEMBL1912449)	Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay
50034037	2	ChEMBL_775153 (CHEMBL1912458)	Inhibition of CYP1A2
50034037	3	ChEMBL_775154 (CHEMBL1912459)	Inhibition of CYP2C9
50034037	4	ChEMBL_775155 (CHEMBL1912460)	Inhibition of CYP2C19
50034037	5	ChEMBL_775156 (CHEMBL1912461)	Inhibition of CYP3A4
50034037	6	ChEMBL_775157 (CHEMBL1912462)	Inhibition of CYP2D6
50034037	7	ChEMBL_775165 (CHEMBL1912470)	Antagonist activity at rat NPY Y5 receptor
50034038	1	ChEMBL_775166 (CHEMBL1912471)	Inhibition of human N-terminal maltase-glucoamylase
50049055	2	ChEMBL_1651046 (CHEMBL4000301)	Inhibition of CYP3A4 (unknown origin)
50034038	2	ChEMBL_775166 (CHEMBL1912471)	Inhibition of human N-terminal maltase-glucoamylase
50034038	3	ChEMBL_775224 (CHEMBL1912578)	Inhibition of human recombinant C-terminal Sucrase-isomaltase by Lineweaver-Burk plot analysis
50034039	1	ChEMBL_775230 (CHEMBL1912584)	Competitive inhibition of indoleamine-2,3-dioxygenase
50034039	2	ChEMBL_775231 (CHEMBL1912585)	Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by microplate reader analysis
50034039	3	ChEMBL_775233 (CHEMBL1912626)	Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon plot analysis
50034039	4	ChEMBL_775234 (CHEMBL1912627)	Inhibition of indoleamine-2,3-dioxygenase in human HEK293 cells assessed as N-formylkynurenine level after 5 hrs by spectrophotometric analysis
50034040	1	ChEMBL_775621 (CHEMBL1913305)	Inhibition of histidine-tagged human SENP1 catalytic domain preincubated for 10 mins by SUMO-CHOP-PLA2 reporter fluorescence assay
50034041	1	ChEMBL_775626 (CHEMBL1913310)	Antagonist activity at human EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation by bead-based proximity assay
50034041	2	ChEMBL_775624 (CHEMBL1913308)	Displacement of [3H]-PGE2 from human EP4 receptor expressed in HEK293 cells
50034041	3	ChEMBL_775625 (CHEMBL1913309)	Displacement of [3H]-PGE2 from human EP2 receptor expressed in HEK293 cells
50034042	1	ChEMBL_775690 (CHEMBL1913432)	Inhibition of LPS-induced TLR4 activation in thioglycollate-elicited mouse peritoneal macrophages assessed as inhibition of IL-6 production after 18 hrs by ELISA
50049055	3	ChEMBL_1651047 (CHEMBL4000302)	Inhibition of CYP2D6 (unknown origin)
50034043	2	ChEMBL_775756 (CHEMBL1912190)	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting
50034043	3	ChEMBL_775755 (CHEMBL1912189)	Antagonist activity at human CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ release after 10 mins by micro plate reader assay
50034044	1	ChEMBL_775843 (CHEMBL1912384)	Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR1 expressed in CHO-K1 cells by scintillation proximity assay
50034044	2	ChEMBL_775844 (CHEMBL1912385)	Displacement of [125I]-MIP-1alpha 125I]-MCP1 from CCR2 expressed in CHO ducX#98 cells by scintillation proximity assay
50034044	3	ChEMBL_775845 (CHEMBL1912386)	Displacement of [125I]-eotaxin from CCR3 expressed in RBL-2H3 cells by scintillation proximity assay
50034044	4	ChEMBL_775893 (CHEMBL1912866)	Displacement of [125I]-MIP-1- alpha from CCR5 expressed in CHO K1 cells by scintillation proximity assay
50034045	1	ChEMBL_775908 (CHEMBL1912881)	Inhibition of porcine brain GSK3-beta assessed as incorporation of [gamma-33P]-ATP into YRRAAVPPSPSLSRHSSPHQSpEDEEE substrate after 30 mins by scintillation counting
50034045	2	ChEMBL_775906 (CHEMBL1912879)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation counting
50034046	1	ChEMBL_775974 (CHEMBL1912972)	Inhibition of human ACC1
50034046	2	ChEMBL_775975 (CHEMBL1912973)	Inhibition of human ACC2
50034047	1	ChEMBL_775982 (CHEMBL1912980)	Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver after 2 hrs by liquid scintillation counting
50034047	2	ChEMBL_775983 (CHEMBL1912981)	Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting
50034047	3	ChEMBL_775988 (CHEMBL1912986)	Displacement of [3H]testosterone from androgen receptor in Sprague-Dawley rat prostate gland after 2 hrs by liquid scintillation counting
50034047	4	ChEMBL_775976 (CHEMBL1912974)	Competitive binding affinity to rat androgen receptor
50034047	5	ChEMBL_775977 (CHEMBL1912975)	Agonist activity at rat androgen receptor
50034047	6	ChEMBL_775978 (CHEMBL1912976)	Antagonist activity at rat androgen receptor
50034047	7	ChEMBL_775980 (CHEMBL1912978)	Displacement of [3H]progesterone from progesterone receptor in JW rabbit uterus after 2 hrs by liquid scintillation counting
50034048	1	ChEMBL_775989 (CHEMBL1912987)	Inhibition of plasmin
50034048	2	ChEMBL_776037 (CHEMBL1912507)	Inhibition of plasma kallikrein
50034049	1	ChEMBL_776055 (CHEMBL1912525)	Inhibition of PIM1 using BAD peptide as substrate preincubated for 15 mins measured after 60 to 100 mins by luminescence assay
50034049	2	ChEMBL_776056 (CHEMBL1912526)	Inhibition of PIM2 using BAD peptide as substrate preincubated for 15 mins measured after 60 to 100 mins by luminescence assay
50034049	3	ChEMBL_776057 (CHEMBL1912527)	Inhibition of PIM3 using BAD peptide as substrate preincubated for 15 mins measured after 60 to 100 mins by luminescence assay
50034049	4	ChEMBL_776058 (CHEMBL1912528)	Inhibition of FLT3
50034049	5	ChEMBL_776059 (CHEMBL1912529)	Inhibition of cKIT
50034049	6	ChEMBL_776061 (CHEMBL1912531)	Inhibition of KDR
50034050	1	ChEMBL_774897 (CHEMBL1913342)	Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay
50034050	2	ChEMBL_774978 (CHEMBL1913483)	Inhibition of 5-HT1B
50034050	3	ChEMBL_774979 (CHEMBL1913484)	Inhibition of cRaf
50034050	4	ChEMBL_774980 (CHEMBL1913485)	Inhibition of human TrkA
50034050	5	ChEMBL_774981 (CHEMBL1913486)	Inhibition of human CYP1A2
50034050	6	ChEMBL_774982 (CHEMBL1912137)	Inhibition of human CYP3A4
50034050	7	ChEMBL_774983 (CHEMBL1912138)	Inhibition of human CYP2C9
50034050	8	ChEMBL_774984 (CHEMBL1912139)	Inhibition of human CYP2C19
50034050	9	ChEMBL_774985 (CHEMBL1912140)	Inhibition of human CYP2D6
50034051	1	ChEMBL_775058 (CHEMBL1912253)	Noncompetitive inhibition of GFAT in presence of fructose-6-phosphate
50034051	2	ChEMBL_775059 (CHEMBL1912254)	Competitive inhibition of GFAT in presence of glutamine
50034051	3	ChEMBL_775061 (CHEMBL1912256)	Irreversible inhibition of GFAT
50034051	4	ChEMBL_775079 (CHEMBL1912274)	Inhibition of GFAT using N-acetylglucosamine 6-phosphate as substrate
50034052	1	ChEMBL_775085 (CHEMBL1912344)	Displacement of [3H]BMS-725519 from rat brain CB1 receptor after 90 mins by scintillation counting
50034052	2	ChEMBL_775084 (CHEMBL1912343)	Displacement of [3H]BMS-725519 from human CB1 receptor expressed in CHO cells after 90 mins by scintillation counting
50034052	3	ChEMBL_775082 (CHEMBL1912277)	Binding affinity to human CB1 receptor expressed in CHO cells after 90 mins by scintillation counting
50034052	4	ChEMBL_775080 (CHEMBL1912275)	Binding affinity to rat brain CB1 receptor after 90 mins by scintillation counting
50034052	5	ChEMBL_775350 (CHEMBL1912835)	Displacement of [3H]-SR-141716 from rat CB1 receptor
50034052	6	ChEMBL_775349 (CHEMBL1912834)	Displacement of [3H]-SR-141716 from human CB1 receptor
50034052	7	ChEMBL_775351 (CHEMBL1912836)	Displacement of [3H]-CP55940 from human CB2 receptor
50034053	1	ChEMBL_775356 (CHEMBL1912841)	Binding affinity to histidine-tagged human recombinant 14-3-3sigma by transferred NOESY analysis
50034054	1	ChEMBL_775450 (CHEMBL1913025)	Binding affinity to human recombinant cyclophilin-A by isothermal titration calorimetry assay
50034054	2	ChEMBL_775452 (CHEMBL1913027)	Inhibition of PPIase activity of human recombinant cyclophilin-A using succinyl-Ala-Ala-Pro-Phe-4-nitroanilide as substrate by protease coupled assay
50034055	1	ChEMBL_775629 (CHEMBL1913313)	Inhibition of CYP2D6
50034056	1	ChEMBL_775646 (CHEMBL1913330)	Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect cells by fluorescence polarization assay
50034056	2	ChEMBL_775647 (CHEMBL1913331)	Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fluorescence polarization assay
50034056	3	ChEMBL_775648 (CHEMBL1913332)	Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect cells by fluorescence polarization assay
50034056	4	ChEMBL_775652 (CHEMBL1913336)	Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs
50034056	5	ChEMBL_775706 (CHEMBL1912091)	Transactivation activity of glucocorticoid receptor in HFF assessed as induction of aromatase activity by measuring beta-estradiol activity after 18 to 24 hrs by ELISA
50034056	6	ChEMBL_775708 (CHEMBL1912093)	Agonist activity at glucocorticoid receptor in human HeLa cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity
50034057	1	ChEMBL_775861 (CHEMBL1912402)	Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction
50034057	2	ChEMBL_775863 (CHEMBL1912404)	Inhibition of CYP3A4 in human liver microsomes assessed as inhibition of oxidative metabolism of testosterone after 45 mins by MS analysis in the presence of 1 mmol NADPH
50034057	3	ChEMBL_775862 (CHEMBL1912403)	Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy
50034058	1	ChEMBL_775920 (CHEMBL1912893)	Inhibition of Escherichia coli beta-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry
50034058	2	ChEMBL_775921 (CHEMBL1912894)	Inhibition of green coffee bean alpha-galactosidase assessed as inhibition of nitrophenolate release by spectrophotometry
50034058	3	ChEMBL_775922 (CHEMBL1912895)	Inhibition of human lysosomal beta-galactosidase assessed as inhibition of hydrolyzed 4-methylumbelliferone production after 30 mins by luminescence spectrophotometry
50034059	1	ChEMBL_775933 (CHEMBL1912676)	Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 containing Photorhabdus luminescens LuxCDABE assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing activation mediated bioluminescence after 4 to 5 hrs by bioluminescence assay
50034060	2	ChEMBL_775994 (CHEMBL1912992)	Inhibition of urokinase-type plasminogen activator
50034061	1	ChEMBL_776011 (CHEMBL1913009)	Displacement of [125I]-apamin from cloned SK2 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting
50034061	2	ChEMBL_776012 (CHEMBL1913010)	Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting
50034061	3	ChEMBL_776014 (CHEMBL1913012)	Inhibition of cloned rat SK2 channel expressed in human HEK293 cells by patch clamp assay in the presence of 1 uM intracellular Ca2+
50034061	4	ChEMBL_776015 (CHEMBL1913013)	Inhibition of cloned human SK3 channel expressed in human HEK293 cells by patch clamp assay in the presence of 1 uM intracellular Ca2+
50034062	1	ChEMBL_776076 (CHEMBL1912772)	Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate by spectrometric analysis
50034063	1	ChEMBL_774847 (CHEMBL1913189)	Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method
50034064	2	ChEMBL_774908 (CHEMBL1913353)	Inhibition of MMP13
50049056	1	ChEMBL_1651105 (CHEMBL4000360)	Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by anti human IgM induction for 8 mins by FLIPR assay
50049056	2	ChEMBL_1651104 (CHEMBL4000359)	Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/TR-FRET assay
50034065	1	ChEMBL_774916 (CHEMBL1913361)	Agonist activity at S1P4 receptor in human U2OS cells expressing VP16-GAL4 transcriptional factor and beta-arrestin/TEV protease fusion protein assessed as migration of VP16-GAL4 into nucleus by FRET based beta lactamase reporter gene assay
50034065	2	ChEMBL_774918 (CHEMBL1913363)	Agonist activity at S1P1 receptor
50034065	3	ChEMBL_774919 (CHEMBL1913364)	Agonist activity at S1P2 receptor
50034065	4	ChEMBL_774921 (CHEMBL1913366)	Agonist activity at S1P5 receptor
50034066	1	ChEMBL_774993 (CHEMBL1912148)	Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting
50034066	2	ChEMBL_774992 (CHEMBL1912147)	Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation counting
50034067	1	ChEMBL_775100 (CHEMBL1912359)	Inhibition of rat CGRP
50049057	1	ChEMBL_1651129 (CHEMBL4000384)	Inhibition of P110delta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay
50049057	2	ChEMBL_1651126 (CHEMBL4000381)	Inhibition of P110alpha/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay
50049057	3	ChEMBL_1651127 (CHEMBL4000382)	Inhibition of P110beta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay
50049057	4	ChEMBL_1651128 (CHEMBL4000383)	Inhibition of P110gamma/PIK3R5 (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay
50049057	5	ChEMBL_1651130 (CHEMBL4000385)	Inhibition of mTOR (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay
50034067	6	ChEMBL_775006 (CHEMBL1912161)	Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay
50049058	1	ChEMBL_1651136 (CHEMBL4000391)	Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-based fluorescence assay
50034068	1	ChEMBL_775293 (CHEMBL1912726)	Inhibition of acrosin activity in human spermatozoa using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCI as a substrate after 3 hrs by spectrophotometric analysis
50034069	1	ChEMBL_775381 (CHEMBL1912910)	Transactivation of PXR
50034069	2	ChEMBL_775374 (CHEMBL1912903)	Inhibition of mouse 11beta-HSD-1
50034069	3	ChEMBL_775369 (CHEMBL1912854)	Inhibition of human 11beta-HSD-1
50034070	1	ChEMBL_775394 (CHEMBL1912923)	Inhibition of human recombinant PDE4A4 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay
50034070	2	ChEMBL_775395 (CHEMBL1912924)	Inhibition of human recombinant PDE1B
50034070	3	ChEMBL_775396 (CHEMBL1912925)	Inhibition of human recombinant PDE2A
50034070	4	ChEMBL_775545 (CHEMBL1913180)	Inhibition of human recombinant PDE3A
50034070	6	ChEMBL_775547 (CHEMBL1913182)	Inhibition of human recombinant PDE8A
50034070	7	ChEMBL_775548 (CHEMBL1913183)	Inhibition of human recombinant PDE9A
50034070	8	ChEMBL_775549 (CHEMBL1913184)	Inhibition of human recombinant PDE10A
50034070	10	ChEMBL_775393 (CHEMBL1912922)	Inhibition of human recombinant PDE7A1 expressed in baculovirus infected insect Sf21 cells after 30 mins by scintillation proximity assay
50034071	1	ChEMBL_775554 (CHEMBL1913238)	Inhibition of mouse 11beta-HSD1
50034071	2	ChEMBL_775553 (CHEMBL1913237)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation plate reader
50034071	3	ChEMBL_775570 (CHEMBL1913254)	Inhibition of 11beta-HSD2
50034071	4	ChEMBL_775569 (CHEMBL1913253)	Inhibition of 11beta-HSD1 in mouse 3T3L1 cells
50034071	5	ChEMBL_775568 (CHEMBL1913252)	Inhibition of 11beta-HSD1 in human HEK cells
50034072	1	ChEMBL_775741 (CHEMBL1912098)	Inhibition of adenosine deaminase assessed as conversion of adenosine to inosine
50034073	1	ChEMBL_775753 (CHEMBL1912187)	Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation counting
50034073	2	ChEMBL_775797 (CHEMBL1912300)	Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting
50034073	3	ChEMBL_775805 (CHEMBL1912308)	Agonist activity at rat recombinant alpha7 nAChR expressed in GH4C1 cells by patch clamp technique
50034074	2	ChEMBL_775873 (CHEMBL1912414)	Inhibition of CDK2
50034075	1	ChEMBL_775891 (CHEMBL1912864)	Inhibition of human iNOS expressed in human HEK293 cells assessed as nitrite accumulation after 18 hrs by 2,3-diaminonapthalene assay
50034075	2	ChEMBL_775890 (CHEMBL1912863)	Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of ionomycin challenge by 2,3-diaminonaphthalene assay
50034075	3	ChEMBL_775892 (CHEMBL1912865)	Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187-induced nitric oxide production incubated for 24 hrs measured after 18 hrs of A23187 challenge by 2,3-diaminonaphthalene assay
50034075	4	ChEMBL_775950 (CHEMBL1912693)	Inhibition of human iNOS
50034077	1	ChEMBL_776030 (CHEMBL1912500)	Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells
50034077	2	ChEMBL_776031 (CHEMBL1912501)	Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells
50034078	1	ChEMBL_776093 (CHEMBL1912789)	Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography
50034079	1	ChEMBL_776094 (CHEMBL1912790)	Inhibition of DPP4
50034080	1	ChEMBL_776121 (CHEMBL1913071)	Non-competitive inhibition of DPP4
50034080	2	ChEMBL_776118 (CHEMBL1913068)	Inhibition of human ERG by flux assay
50034080	3	ChEMBL_776116 (CHEMBL1912812)	Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy resorufin
50034080	4	ChEMBL_776115 (CHEMBL1912811)	Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin
50034080	5	ChEMBL_774852 (CHEMBL1913194)	Inhibition of human ERG
50034080	6	ChEMBL_774850 (CHEMBL1913192)	Inhibition of CYP3A4 up to 40 uM
50034080	7	ChEMBL_776111 (CHEMBL1912807)	Inhibition of DPP4
50034080	8	ChEMBL_776114 (CHEMBL1912810)	Inhibition of CYP2C19
50034080	9	ChEMBL_776113 (CHEMBL1912809)	Inhibition of DPP9
50034080	10	ChEMBL_776112 (CHEMBL1912808)	Inhibition of DPP8
50034081	1	ChEMBL_774876 (CHEMBL1913218)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	2	ChEMBL_774875 (CHEMBL1913217)	Displacement of [3H]LSD from 5HT2B receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	3	ChEMBL_774874 (CHEMBL1913216)	Displacement of [3H]LSD from 5HT7 receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	4	ChEMBL_774873 (CHEMBL1913215)	Displacement of [3H]GR127543 from 5HT1D receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	5	ChEMBL_774872 (CHEMBL1913214)	Displacement of [3H]prazosin from alpha1A receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	6	ChEMBL_774871 (CHEMBL1913213)	Displacement of [3H]prazosin from Alpha-1B receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	7	ChEMBL_774870 (CHEMBL1913212)	Displacement of [3H]prazosin from Alpha-1D receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	8	ChEMBL_774869 (CHEMBL1913211)	Displacement of [3H]N-methylspiperone from dopamine D4 receptor expressed in HEK293 EBNA cells by radioligand binding assay
50034081	9	ChEMBL_775010 (CHEMBL1912165)	Binding affinity to alpha1A receptor
50034081	10	ChEMBL_775009 (CHEMBL1912164)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting
50034082	1	ChEMBL_775024 (CHEMBL1912179)	Inhibition of CDK2/cyclin A expressed in baculovirus infected insect Sf21 cells using [gamma-P32]ATP and histone H1 as substrate after 10 mins by radiometric assay
50034082	2	ChEMBL_775025 (CHEMBL1912180)	Inhibition of human EGFR
50049059	1	ChEMBL_1651246 (CHEMBL4000501)	Inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 3 mins followed by substrate addition measured every 15 secs for 7 mins by spectrophotometry
50034084	2	ChEMBL_785881 (CHEMBL1921150)	Inhibition of human recombinant HDAC6 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	3	ChEMBL_785880 (CHEMBL1921149)	Inhibition of human recombinant HDAC7 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	4	ChEMBL_785879 (CHEMBL1921148)	Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	5	ChEMBL_785878 (CHEMBL1921147)	Inhibition of human recombinant HDAC10 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	6	ChEMBL_785877 (CHEMBL1921146)	Inhibition of human recombinant HDAC11 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	7	ChEMBL_785748 (CHEMBL1920768)	Inhibition of MMP1
50034084	8	ChEMBL_785747 (CHEMBL1920767)	Inhibition of MMP3
50034084	11	ChEMBL_785888 (CHEMBL1921157)	Inhibition of human recombinant HDAC3/NCoR2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC
50034084	12	ChEMBL_785887 (CHEMBL1921156)	Inhibition of human recombinant HDAC8 using Fluor de Lys as substrate
50034084	13	ChEMBL_785885 (CHEMBL1921154)	Inhibition of human recombinant HDAC1 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	14	ChEMBL_785884 (CHEMBL1921153)	Inhibition of human recombinant HDAC2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50034084	15	ChEMBL_785883 (CHEMBL1921152)	Inhibition of human recombinant HDAC4 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins
50049059	2	ChEMBL_1651249 (CHEMBL4000504)	Mixed-type competitive inhibition of Xanthine oxidase (unknown origin) assessed as enzyme-inhibitor complex preincubated for 3 mins followed by xanthine addition by Lineweaver-Burk plot method
50049060	1	ChEMBL_1651274 (CHEMBL4000529)	Inhibition of human telomerase activity isolated from HEK293 cells assessed as reduction in dNTP incorporation using 5'-biotinylated AATCCGTCGAGCAGAGTT primer by flash plate assay
50049060	2	ChEMBL_1651254 (CHEMBL4000509)	Inhibition of telomerase activity in human U2OS cell lysate measured after 24 hrs by TRAP assay
50049060	3	ChEMBL_1651252 (CHEMBL4000507)	Inhibition of telomerase activity (unknown origin) in cell free system using sulforhodamine labeled primer measured after 30 mins by telomerase repeat amplification protocol assay
50049060	4	ChEMBL_1651253 (CHEMBL4000508)	Inhibition of telomerase activity in human MDA-MB-435 cell lysate measured after 24 hrs by TRAP assay
50049061	1	ChEMBL_1651391 (CHEMBL4000646)	Displacement of [3H]-Ethylketazocine from kappa opioid receptor in guinea pig brain membranes after 40 mins
50049061	2	ChEBML_1651393	Binding affinity to kappa opioid receptor (unknown origin)
50049061	3	ChEBML_1651394	Binding affinity to delta opioid receptor (unknown origin)
50049061	14	ChEMBL_1651361 (CHEMBL4000616)	Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of DPH solvent by liquid scintillation counting method
50049061	4	ChEMBL_1651363 (CHEMBL4000618)	Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting method
50049061	5	ChEMBL_1651362 (CHEMBL4000617)	Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 250 uM DPH by liquid scintillation counting method
50049061	9	ChEMBL_1651386 (CHEMBL4000641)	Displacement of [3H]-(+)-pentazocin from sigma1 receptor in guinea pig brain P2 membranes after 120 mins
50049061	6	ChEBML_1651363	Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting method
50049061	7	ChEBML_1651359	Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain membranes by liquid scintillation counter method
50049061	10	ChEBML_1651387	Displacement of [3H] DAMGO from mu opioid receptor in Sprague-Dawley rat whole brain membranes after 2.5 hrs by liquid scintillation method
50049061	11	ChEBML_1651389	Displacement of [3H]-[D-Ala2,MePhe4Gly-ol5]enkephalin from mu opioid receptor in guinea pig brain membranes after 40 mins
50049061	8	ChEMBL_1651358 (CHEMBL4000613)	Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method
50049061	12	ChEBML_1651360	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes by liquid scintillation counter method
50049061	13	ChEMBL_1651388 (CHEMBL4000643)	Displacement of [3H]-(+)-pentazocin from sigma1 receptor in mouse brain P2 membranes after 240 mins by liquid scintillation counting method
50049062	1	ChEBML_1651523	Inhibition of human platelet cytosolic phospholipase alpha-2 using 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine/1,2-dioleoyl-sn-glycerol as substrate after 60 mins by UV-HPLC method
50049062	2	ChEMBL_1651523 (CHEMBL4000778)	Inhibition of human platelet cytosolic phospholipase alpha-2 using 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine/1,2-dioleoyl-sn-glycerol as substrate after 60 mins by UV-HPLC method
50049063	1	ChEMBL_1651530 (CHEMBL4000785)	Inhibition of human RET using KKKSPGEYVNIEFG as peptide substrate in presence of [gamma33P]ATP by radiometric assay
50049064	1	ChEMBL_1651553 (CHEMBL4000808)	Displacement of [3H]Oxytocin from human OXTR expressed in CHO cell membranes after 90 mins by liquid scintillation counting method
50049065	1	ChEBML_1651662	Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addition by spectrophotometric method
50049065	2	ChEMBL_1651662 (CHEMBL4000917)	Inhibition of bovine liver beta glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addition by spectrophotometric method
50049066	1	ChEMBL_1651677 (CHEMBL4000932)	Inhibition of APMA-activated recombinant human MMP-7 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	2	ChEMBL_1651680 (CHEMBL4000935)	Inhibition of TACE (unknown origin) using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	3	ChEMBL_1651669 (CHEMBL4000924)	Inhibition of APMA-activated recombinant human MMP-13 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	4	ChEMBL_1651670 (CHEMBL4000925)	Inhibition of APMA-activated recombinant human MMP-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50034086	2	ChEMBL_785712 (CHEMBL1920640)	Displacement of [3H]PGD2 from mouse CRTH2 expressed in human HEK cells by liquid scintillation counting
50049066	5	ChEMBL_1651671 (CHEMBL4000926)	Inhibition of APMA-activated recombinant human MMP-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	6	ChEMBL_1651672 (CHEMBL4000927)	Inhibition of APMA-activated recombinant human MMP-10 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	7	ChEMBL_1651675 (CHEMBL4000930)	Inhibition of APMA-activated recombinant human MMP-1 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	8	ChEMBL_1651676 (CHEMBL4000931)	Inhibition of APMA-activated recombinant human MMP-3 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	9	ChEMBL_1651678 (CHEMBL4000933)	Inhibition of APMA-activated recombinant human MMP-9 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50049066	10	ChEMBL_1651679 (CHEMBL4000934)	Inhibition of APMA-activated recombinant human GST-tagged MMP-14 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric method
50034086	9	ChEMBL_785719 (CHEMBL1920739)	Inhibition of human recombinant CYP2C9 expressed in baculovirus infected insect cells preincubated for 15 mins measured after 30 mins by luminescence analysis
50034086	10	ChEMBL_785830 (CHEMBL1921046)	Binding affinity to DP1
50034086	12	ChEMBL_785832 (CHEMBL1921048)	Antagonist activity at AR
50034087	1	ChEMBL_785863 (CHEMBL1921132)	Inhibition of human recombinant AChE after 5 mins using spectrophotometer by Ellman's method
50034087	2	ChEMBL_785864 (CHEMBL1921133)	Inhibition of human plasmatic BChE after 5 mins using spectrophotometer by Ellman's method
50034088	1	ChEMBL_786095 (CHEMBL1919838)	Displacement of [3H]histamine from recombinant human histamine H4 receptor
50034088	2	ChEMBL_786100 (CHEMBL1919843)	Inhibition of human ERG by binding assay
50034089	1	ChEMBL_786204 (CHEMBL1920125)	Inhibition of bovine aortic PDE5 using cGMP as substrate in presence of EGTA
50034090	1	ChEMBL_784941 (CHEMBL1920333)	Inhibition of c-Kit
50034090	2	ChEMBL_784940 (CHEMBL1920332)	Inhibition of KDR
50034091	1	ChEMBL_785118 (CHEMBL1920856)	Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamase reporter gene assay
50034091	2	ChEMBL_785241 (CHEMBL1921322)	Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced shape change by GAFS assay
50034091	3	ChEMBL_785242 (CHEMBL1921323)	Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced CD11b upregulation
50034091	4	ChEMBL_785243 (CHEMBL1921324)	Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced actin polymerisation
50034091	5	ChEMBL_785244 (CHEMBL1921325)	Antagonist activity at H4R in human eosinophils assessed as inhibition of imetit-induced shape change by GAFS assay
50034091	6	ChEMBL_785117 (CHEMBL1920855)	Displacement of [3H]-histamine from full length human H4R expressed in HEK293 cells
50034092	1	ChEMBL_785447 (CHEMBL1919826)	Inhibition of rat SCD by rat microsomal assay
50034092	2	ChEMBL_785454 (CHEMBL1919933)	Inhibition of SCD in rat hepatocytes assessed as conversion of [14C]-stearic acid to [14C]-oleic acid preincubated for 15 mins measured after 1 hrs by scintillation counting
50034092	3	ChEMBL_785455 (CHEMBL1919934)	Inhibition of SCD in human HepG2 cells assessed as conversion of [1-(14)C]-stearic acid to (14)C-oleic acid
50034093	1	ChEMBL_785340 (CHEMBL1921608)	Inhibition of IMPDH2
50034093	2	ChEMBL_785354 (CHEMBL1921622)	Inhibition of CYP3A4
50034094	1	ChEMBL_787787 (CHEMBL1918466)	Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay
50034094	2	ChEMBL_787788 (CHEMBL1918467)	Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay
50034095	1	ChEMBL_787886 (CHEMBL1918726)	Inhibition of PI3Kalpha by HTRF assay
50034095	2	ChEMBL_787968 (CHEMBL1918902)	Inhibition of PI3Kgamma in human neutrophils assessed as inhibition of fMLP-stimulated superoxide production
50034095	3	ChEMBL_787882 (CHEMBL1918722)	Inhibition of recombinant human PI3Kgamma assessed as depletion of ATP by kinase-glo luciferase assay
50034095	4	ChEMBL_787969 (CHEMBL1918903)	Inhibition of recombinant human PI3Kgamma by HTRF assay
50034096	1	ChEMBL_787970 (CHEMBL1918904)	Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated for 1 hrs before substrate addition measured after 15 mins by fluorimetry
50049067	1	ChEMBL_1651749 (CHEMBL4001004)	Antagonist activity against bradykinin B1 receptor in human HeLa cells assessed as inhibition of Des-Arg9-BK-induced increase in intracellular Ca2+ level by Fluro-4 direct calcium dye based fluorescence assay
50049067	2	ChEMBL_1651758 (CHEMBL4001013)	Inhibition of bovine beta-trypsin using BAPNA as substrate preincubated for 15 mins followed by substrate addition measured over 60 mins by Dixon plot analysis
50049067	3	ChEMBL_1651759 (CHEMBL4001014)	Inhibition of bovine beta-trypsin type-3 using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured over 60 mins
50049067	4	ChEMBL_1651760 (CHEMBL4001015)	Inhibition of bovine beta-trypsin using N-t-Boc Gln-Ala-Arg-AMC as substrate preincubated with enzyme followed by substrate addition by Dixon plot analysis
50049067	5	ChEMBL_1651761 (CHEMBL4001016)	Inhibition of bovine beta-trypsin
50049068	1	ChEMBL_1651766 (CHEMBL4001021)	Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins
50049068	2	ChEBML_1651766	Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins
50049068	7	ChEMBL_1651767 (CHEMBL4001022)	Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay
50049068	3	ChEMBL_1651774 (CHEMBL4001029)	Inhibition of recombinant HA-tagged ATX (unknown origin) using FS-3 as substrate measured after 2 hrs by fluorescence assay
50034096	3	ChEMBL_787972 (CHEMBL1918906)	Inhibition of human MMP1 catalytic domain (amino acids 100 to 262) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated for 1 hrs before substrate addition measured after 15 mins by fluorimetry
50034096	4	ChEMBL_787973 (CHEMBL1918907)	Inhibition of human MMP3 catalytic domain (amino acids 100 to 265) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated for 1 hrs before substrate addition measured after 15 mins by fluorimetry
50034096	5	ChEMBL_787974 (CHEMBL1918908)	Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated for 1 hrs before substrate addition measured after 15 mins by fluorimetry
50034097	1	ChEMBL_788043 (CHEMBL1919022)	Antagonist activity at dopamine D2 receptor
50034097	2	ChEMBL_788045 (CHEMBL1919024)	Agonist activity at rat muscarinic M1 receptor expressed in CHO cells
50034097	3	ChEMBL_788047 (CHEMBL1919026)	Agonist activity at rat muscarinic M2 receptor expressed in CHO cells
50034097	4	ChEMBL_788048 (CHEMBL1919027)	Agonist activity at rat muscarinic M3 receptor expressed in CHO cells
50034097	5	ChEMBL_788049 (CHEMBL1919028)	Agonist activity at rat muscarinic M4 receptor expressed in CHO cells
50034097	6	ChEMBL_788050 (CHEMBL1919029)	Agonist activity at rat muscarinic M5 receptor expressed in CHO cells
50034097	7	ChEMBL_788057 (CHEMBL1919036)	Inhibition of CYP3A4
50034097	8	ChEMBL_788058 (CHEMBL1919037)	Inhibition of CYP2C9
50034097	9	ChEMBL_788059 (CHEMBL1919038)	Inhibition of CYP1A2
50034097	10	ChEMBL_788060 (CHEMBL1919039)	Inhibition of CYP2D6
50034098	1	ChEMBL_788156 (CHEMBL1919237)	Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay
50034099	1	ChEMBL_788320 (CHEMBL1918001)	Inhibition of aromatase
50034099	2	ChEMBL_788322 (CHEMBL1918003)	Inhibition of rabbit reticulocytes arachidonate 15-lipoxygenase
50034099	3	ChEMBL_788338 (CHEMBL1918019)	Displacement of [3H]SP from human NK1 receptor expressed in CHO cells
50034099	4	ChEMBL_788340 (CHEMBL1918021)	Displacement of [125I]NKA from human NK2 receptor expressed in CHO cells
50034099	5	ChEMBL_788421 (CHEMBL1918186)	Agonist activity at estrogen receptor
50034099	6	ChEMBL_788422 (CHEMBL1918187)	Antagonist activity at human histamine H3 receptor
50034100	1	ChEMBL_788432 (CHEMBL1918197)	Inhibition of MMP2
50034100	2	ChEMBL_788431 (CHEMBL1918196)	Inhibition of MMP13
50034101	1	ChEMBL_788610 (CHEMBL1918645)	Displacement of Eu-DTAP-NDP-alpha-MSH-NH2 from MC4 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method
50034101	2	ChEMBL_788611 (CHEMBL1918646)	Displacement of Eu-DTAP-CCK8-NH2 from CCK2 receptor expressed in human HEK293 cells after 1 hr by time resolved fluorescence method
50034102	1	ChEMBL_787260 (CHEMBL1918982)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting
50049068	5	ChEMBL_1651775 (CHEMBL4001030)	Inhibition of ATX in human MDA-MB-435S cells using lysophosphatidyl choline as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins
50034103	1	ChEMBL_787358 (CHEMBL1919185)	Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine amino transferase
50034103	2	ChEMBL_787360 (CHEMBL1919187)	Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase
50034103	3	ChEMBL_787363 (CHEMBL1919190)	Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis
50034103	4	ChEMBL_787368 (CHEMBL1919247)	Transactivation activity at glucocorticoid receptor in human HepG2 cells expressing luciferase-taggged GRE gene by luciferase reporter gene assay
50034103	5	ChEMBL_787361 (CHEMBL1919188)	Inhibition of human glucocorticoid receptor
50034104	2	ChEMBL_787469 (CHEMBL1919388)	Inhibition of CYP2C9
50034104	3	ChEMBL_787470 (CHEMBL1919389)	Inhibition of CYP1A2
50034104	4	ChEMBL_787471 (CHEMBL1919390)	Inhibition of CYP2D6
50034104	5	ChEMBL_787472 (CHEMBL1919391)	Inhibition of CYP3A4
50049068	4	ChEMBL_1651776 (CHEMBL4001031)	Inhibition of ATX (unknown origin) using lysophosphatidyl choline as substrate
50049068	6	ChEMBL_1651777 (CHEMBL4001032)	Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins
50049069	1	ChEMBL_1651788 (CHEMBL4001043)	Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition of zaprinast induced effect
50049069	2	ChEMBL_1651789 (CHEMBL4001044)	Antagonist activity at GPR35 (unknown origin)
50034104	8	ChEMBL_787464 (CHEMBL1919383)	Inhibition of rat aldose reductase
50034104	9	ChEMBL_787466 (CHEMBL1919385)	Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis
50034105	1	ChEMBL_787545 (CHEMBL1919506)	Displacement of [3H]NAMH from human H3R expressed in CHO cells
50034105	2	ChEMBL_787546 (CHEMBL1919507)	Displacement of [3H]NAMH from rat H3R expressed in CHO cells
50034105	3	ChEMBL_787554 (CHEMBL1917947)	Inhibition of CYP1A2
50034105	4	ChEMBL_787555 (CHEMBL1917948)	Inhibition of CYP2C9
50034105	5	ChEMBL_787556 (CHEMBL1917949)	Inhibition of CYP2C19
50034105	6	ChEMBL_787557 (CHEMBL1917950)	Inhibition of CYP2D6
50034105	7	ChEMBL_787558 (CHEMBL1917951)	Inhibition of CYP3A4
50034105	8	ChEMBL_787548 (CHEMBL1917941)	Inverse agonist activity at human H3R expressed in CHO cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding
50034106	1	ChEMBL_787726 (CHEMBL1918309)	Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting
50034107	1	ChEMBL_787834 (CHEMBL1918600)	Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR35-GA14-VP16 transcription factor fusion protein assessed as transcriptional activation after 5 hrs by tango beta-arrestin translocation reporter assay
50034107	2	ChEMBL_787830 (CHEMBL1918596)	Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution assay
50034107	3	ChEMBL_787887 (CHEMBL1918727)	Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay
50034107	4	ChEMBL_787888 (CHEMBL1918728)	Antagonist activity at GPR35 in human HT-29 cells assessed as inhibition of zaprinast-induced DMR by dynamic mass redistribution assay
50034108	1	ChEMBL_787991 (CHEMBL1918925)	Inhibition of human cloned ERG channel expressed in chinese hamster CHO cells after 5 mins by patch clamp assay
50034108	2	ChEMBL_787992 (CHEMBL1918926)	Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assay
50034108	3	ChEMBL_787993 (CHEMBL1918927)	Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as phasic inhibition after 5 mins by patch clamp assay
50034108	4	ChEMBL_787994 (CHEMBL1918928)	Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assay
50034109	1	ChEMBL_788189 (CHEMBL1919336)	Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting
50034110	1	ChEMBL_788347 (CHEMBL1918028)	Inhibition of acetylcholinesterase
50034110	2	ChEMBL_788346 (CHEMBL1918027)	Inhibition of adenosine A1 receptor
50034110	3	ChEMBL_788343 (CHEMBL1918024)	Inhibition of PDE8B
50034110	4	ChEMBL_788342 (CHEMBL1918023)	Inhibition of PDE8A
50034110	5	ChEMBL_788341 (CHEMBL1918022)	Inhibition of PDE7B
50034110	6	ChEMBL_788292 (CHEMBL1919555)	Inhibition of PDE7A
50034110	7	ChEMBL_788291 (CHEMBL1919554)	Inhibition of PDE4C
50034110	8	ChEMBL_788290 (CHEMBL1919553)	Inhibition of PDE4B
50034110	9	ChEMBL_788289 (CHEMBL1919552)	Inhibition of PDE4A
50034110	10	ChEMBL_788288 (CHEMBL1919551)	Inhibition of PDE3B
50034110	11	ChEMBL_788287 (CHEMBL1919550)	Inhibition of PDE3A
50034110	12	ChEMBL_788285 (CHEMBL1919548)	Inhibition of PDE1C
50034110	13	ChEMBL_788284 (CHEMBL1919547)	Inhibition of PDE1B
50034110	14	ChEMBL_788283 (CHEMBL1919546)	Inhibition of PDE1A
50049069	3	ChEMBL_1651790 (CHEMBL4001045)	Antagonist activity at human N-terminal HA-tagged GPR35a expressed in human U2OS cells co-expressing GFP-fused beta arrestin-2 assessed as inhibition of agonist induced redistribution of GFP-fused beta arrestin-2 preincubated for 15 mins followed by agonist addition by fluorescence assay
50049070	1	ChEMBL_1651852 (CHEMBL4001107)	Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhesion assay
50049070	2	ChEMBL_1651851 (CHEMBL4001106)	Displacement of biotinylated fibronectin from recombinant human integrin alpha5beta1 dark incubated for 3 hrs by solid-phase receptor binding assay
50049070	3	ChEMBL_1651850 (CHEMBL4001105)	Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay
50049070	4	ChEMBL_1651849 (CHEMBL4001104)	Inhibition of alpha5beta1 (unknown origin)
50049070	5	ChEMBL_1651847 (CHEMBL4001102)	Inhibition of VEGFR2 (unknown origin) phosphorylation
50049070	6	ChEMBL_1651846 (CHEMBL4001101)	Displacement of biotinylated vitronectin from human integrin alphaVbeta5 measured after 3 hrs by solid-phase receptor binding assay
50049070	7	ChEMBL_1651845 (CHEMBL4001100)	Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay
50049070	8	ChEMBL_1651859 (CHEMBL4001114)	Inhibition of recombinant human PDGFRbeta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate measured after 30 mins by LANCE method
50049070	9	ChEMBL_1651860 (CHEMBL4001115)	Inhibition of recombinant human VEGFR2 expressed in Sf9 cells using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE method
50049070	10	ChEMBL_1651848 (CHEMBL4001103)	Inhibition of PDGFRbeta (unknown origin) phosphorylation
50049071	1	ChEBML_1651925	Displacement of [3H]LSD from human recombinant 5-HT5a receptor in HEK293 cells after 120 mins by scintillation counting
50049071	14	ChEMBL_1651873 (CHEMBL4001128)	Inhibition of dynamin 2 in human U2OS cells assessed as reduction in clathrin-mediated endocytosis by measuring transferrin-A594 uptake preincubated for 30 mins followed by Tfn-A594 addition for 8 mins by DAPI staining based HTS assay
50049071	3	ChEMBL_1651923 (CHEMBL4001178)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor in HEK293 cells after 60 mins by scintillation counting
50049071	13	ChEMBL_1651871 (CHEMBL4001126)	Inhibition of phosphatidyl serine liposome-stimulated dynamin 2 GTPase activity (unknown origin) assessed as reduction orthophosphate release using GTP as substrate after 30 mins by malachite green reagent based colorimetric assay
50049071	16	ChEMBL_1651920 (CHEMBL4001175)	Displacement of [3H]4-DAMP from human recombinant Muscarinic acetylcholine receptor M3 expressed in CHO cells after 60 mins by scintillation counting
50034111	1	ChEMBL_788365 (CHEMBL1918046)	Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique
50034111	2	ChEMBL_788359 (CHEMBL1918040)	Antagonist activity at human histamine H4 receptor by functional assay
50034111	3	ChEMBL_788361 (CHEMBL1918042)	Antagonist activity at histamine H3 receptor
50034111	4	ChEMBL_788362 (CHEMBL1918043)	Antagonist activity at histamine H1 receptor
50034111	5	ChEMBL_788363 (CHEMBL1918044)	Antagonist activity at histamine H2 receptor
50034111	6	ChEMBL_788369 (CHEMBL1918050)	Antagonist activity at human histamine H3 receptor
50034112	1	ChEMBL_788458 (CHEMBL1918223)	Inhibition of human recombinant DNMT1 expressed in Sf9 cells assessed as incorporation of [3H]S-adenosyl methionine into hemimethylated oligonucleotide substrate after 3 hrs by scintillation counting
50034113	1	ChEMBL_788547 (CHEMBL1918386)	Inhibition of human ERG by patch clamp assay
50049071	8	ChEMBL_1651926 (CHEMBL4001181)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO cells after 120 mins by scintillation counting
50049071	2	ChEMBL_1651901 (CHEMBL4001156)	Displacement of [3H]methyl-spiperone from human recombinant D2S receptor in HEK293 cells after 60 mins by scintillation counting
50034113	4	ChEMBL_788537 (CHEMBL1918376)	Displacement of [3H]-iloprost from human prostanoid IP receptor expressed in human 293T cells membranes
50034113	5	ChEMBL_788538 (CHEMBL1918377)	Inhibition of human CYP3A4
50034113	6	ChEMBL_788539 (CHEMBL1918378)	Inhibition of human CYP2C9
50034113	7	ChEMBL_788540 (CHEMBL1918379)	Inhibition of human CYP2D6
50049071	10	ChEMBL_1651929 (CHEMBL4001184)	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells after 120 mins by scintillation counting
50049071	5	ChEMBL_1651924 (CHEMBL4001179)	Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells after 60 mins by scintillation counting
50049071	15	ChEMBL_1651921 (CHEMBL4001176)	Displacement of [125I]NKA from human recombinant tachykinin NK2 receptor expressed in CHO cells after 60 mins by scintillation counting
50049071	6	ChEMBL_1651916 (CHEMBL4001171)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor in HEK293 cells after 60 mins by scintillation counting
50049071	17	ChEMBL_1651919 (CHEMBL4001174)	Displacement of [3H]pirenzepine from human recombinant Muscarinic acetylcholine receptor M1 expressed in CHO cells after 60 mins by scintillation counting
50049071	12	ChEMBL_1651928 (CHEMBL4001183)	Displacement of [3H]nisoxetine from human recombinant norepinephrine transporter expressed in CHO cells after 120 mins by scintillation counting
50049071	4	ChEMBL_1651922 (CHEMBL4001177)	Displacement of [3H]U 69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50049071	7	ChEMBL_1651927 (CHEMBL4001182)	Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells after 120 mins by scintillation counting
50049071	11	ChEMBL_1651917 (CHEMBL4001172)	Displacement of [125I]APT from human recombinant histamine H2 receptor expressed in CHO cells after 120 mins by scintillation counting
50049071	18	ChEMBL_1651925 (CHEMBL4001180)	Displacement of [3H]LSD from human recombinant 5-HT5a receptor in HEK293 cells after 120 mins by scintillation counting
50049071	9	ChEMBL_1651918 (CHEMBL4001173)	Inhibition of human recombinant melanocortin 4 receptor expressed in CHO cells
50049072	1	ChEMBL_1651957 (CHEMBL4001212)	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition measured for 90 secs by protease-enzyme coupled assay
50049073	1	ChEMBL_1651959 (CHEMBL4001214)	Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay
50049073	2	ChEMBL_1651960 (CHEMBL4001215)	Inhibition of Wistar rat liver ATP citrate lyase using tripotassium citrate as substrate by malate dehydrogenase-based oxaloacetate reduction assay
50049074	1	ChEMBL_1651976 (CHEMBL4001231)	Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrate addition measured after 45 mins by L-amino acid oxidase enzyme coupled assay
50034113	9	ChEMBL_788535 (CHEMBL1918374)	Displacement of [3H]-PGD2 from human DP1 receptor expressed in human platelet membranes
50034113	10	ChEMBL_788536 (CHEMBL1918375)	Displacement of [3H]-SQ-29,548 from human TP receptor expressed in human platelet membranes
50034114	1	ChEMBL_788548 (CHEMBL1918488)	Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay
50034114	2	ChEMBL_788549 (CHEMBL1918489)	Inhibition of LYN-A expressed in Sf9 cells after 60 mins by TR-FRET Assay
50034114	3	ChEMBL_788551 (CHEMBL1918491)	Agonist activity at Ah receptor in genetically engineered mouse cells expressing firefly luciferase gene by CALUX transactivational assay
50034114	4	ChEMBL_788552 (CHEMBL1918492)	Inhibition of C-terminal His6-tagged human full-length LCK expressed in Sf9 cells after 60 mins by TR-FRET Assay
50034114	5	ChEMBL_787267 (CHEMBL1919045)	Inhibition cSRC expressed in Sf9 cells after 60 mins by TR-FRET Assay
50034114	6	ChEMBL_787268 (CHEMBL1919046)	Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate preincubated for 60 mins measured after 60 mins by TR-FRET Assay
50034114	7	ChEMBL_787269 (CHEMBL1919047)	Inhibition of LYN-A expressed in Sf9 cells preincubated for 60 mins measured after 60 mins by TR-FRET Assay
50034114	8	ChEMBL_787270 (CHEMBL1919048)	Inhibition of C-terminal His6-tagged human full-length LCK expressed in Sf9 cells preincubated for 60 mins measured after 60 mins by TR-FRET Assay
50034114	9	ChEMBL_787271 (CHEMBL1919049)	Inhibition cSRC expressed in Sf9 cells preincubated for 60 mins measured after 60 mins by TR-FRET Assay
50034114	10	ChEMBL_787272 (CHEMBL1919050)	Inhibition of EGFR preincubated for 60 mins measured after 60 mins by TR-FRET Assay
50034114	11	ChEMBL_787273 (CHEMBL1919051)	Inhibition of EGFR after 60 mins by TR-FRET Assay
50034114	12	ChEMBL_787275 (CHEMBL1919053)	Inhibition of BTK autophosphorylation at PY223 in human Ramos B cells after 20 mins by Western blot analysis
50034114	13	ChEMBL_787389 (CHEMBL1919268)	Inhibition of FYN relative to control
50034114	14	ChEMBL_787516 (CHEMBL1919477)	Inhibition of EGFR relative to control
50034114	15	ChEMBL_787575 (CHEMBL1917968)	Inhibition of ERBB4 relative to control
50034114	16	ChEMBL_787283 (CHEMBL1919061)	Inhibition of EPHB3 relative to control
50034114	17	ChEMBL_787292 (CHEMBL1919070)	Inhibition of Abl1 relative to control
50034114	18	ChEMBL_787370 (CHEMBL1919249)	Inhibition of BLK relative to control
50034114	19	ChEMBL_787371 (CHEMBL1919250)	Inhibition of BMX relative to control
50034114	20	ChEMBL_787373 (CHEMBL1919252)	Inhibition of BTK relative to control
50034114	21	ChEMBL_787377 (CHEMBL1919256)	Inhibition of ErbB1 relative to control
50034114	22	ChEMBL_787379 (CHEMBL1919258)	Inhibition of EPHA8 relative to control
50034114	23	ChEMBL_787388 (CHEMBL1919267)	Inhibition of FRK relative to control
50034115	1	ChEMBL_787579 (CHEMBL1917972)	Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as conversion of arachidonic acid to PGE2 preincubated for 15 mins measured after 5 mins by enzyme immunoassay
50034115	2	ChEMBL_787580 (CHEMBL1917973)	Inhibition of recombinant human 5-LOX in human PBML assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins measured after 15 mins by enzyme immunoassay
50034116	1	ChEMBL_787590 (CHEMBL1917983)	Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production preincubated for 15 mins before stimulation measured after 15 mins by enzyme immunoassay
50034116	2	ChEMBL_787591 (CHEMBL1917984)	Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins before stimulation measured after 2 hrs by ELISA
50034116	4	ChEMBL_787668 (CHEMBL1918165)	Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for 15 mins before substrate addition measured after 5 mins by enzyme immunoassay
50034117	1	ChEMBL_787744 (CHEMBL1918327)	Inhibition of rat Nav1.1 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	2	ChEMBL_787745 (CHEMBL1918328)	Inhibition of rat Nav1.2 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	3	ChEMBL_787746 (CHEMBL1918329)	Inhibition of rat Nav1.3 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	4	ChEMBL_787747 (CHEMBL1918330)	Inhibition of rat Nav1.4 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	5	ChEMBL_787748 (CHEMBL1918331)	Inhibition of rat Nav1.5 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	6	ChEMBL_787749 (CHEMBL1918332)	Inhibition of mouse Nav1.6 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034117	7	ChEMBL_787750 (CHEMBL1918333)	Inhibition of rat Nav1.7 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two-electrode voltage-clamp electrophysiology
50034118	1	ChEMBL_787845 (CHEMBL1918611)	Inhibition of telomerase in human SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay
50034119	1	ChEMBL_787847 (CHEMBL1918613)	Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins
50034119	2	ChEMBL_787850 (CHEMBL1918616)	Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins
50034120	1	ChEMBL_787858 (CHEMBL1918698)	Binding affinity to sigma 1 receptor
50034120	2	ChEMBL_787913 (CHEMBL1918795)	Binding affinity to sigma 1 receptor in guinea pig brain membrane
50034120	3	ChEMBL_787915 (CHEMBL1918797)	Binding affinity to sigma 1 receptor by radioligand displacement assay
50034121	1	ChEMBL_788106 (CHEMBL1919133)	Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia coli HM125 assessed as inhibition of streptavidin-horseradish peroxidase conjugated TM-PAA polymer binding after 3 hrs by spectrophotometry
50034122	2	ChEMBL_788296 (CHEMBL1919559)	Inhibition of human ERG expressed in Chinese hamster CHL cells by perforated patch clamp assay
50034122	3	ChEMBL_788302 (CHEMBL1919565)	Inhibition of CYP1A2-mediated phencetin o-de-ethylation in human liver microsomes by LCMS analysis
50034122	4	ChEMBL_788301 (CHEMBL1919564)	Inhibition of CYP2C9-mediated Tolbutamide methlyhydroxylation in human liver microsomes by LCMS analysis
50034122	5	ChEMBL_788300 (CHEMBL1919563)	Inhibition of CYP2C19-mediated (S)-mephenytoin 4'-hydroxylation in human liver microsomes by LCMS analysis
50034122	6	ChEMBL_788299 (CHEMBL1919562)	Inhibition of CYP2D6-mediated dextromethorphan O-demethylation in human liver microsomes by LCMS analysis
50034123	1	ChEMBL_788480 (CHEMBL1918283)	Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting
50034123	2	ChEMBL_788481 (CHEMBL1918284)	Displacement of [3H]-U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting
50034123	3	ChEMBL_788478 (CHEMBL1918281)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting
50034124	1	ChEMBL_787204 (CHEMBL1918874)	Binding affinity to human Hsp90beta after overnight incubation by fluorescence polarization assay
50034124	2	ChEMBL_787208 (CHEMBL1918878)	Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2 expression levels after 24 hrs by FACS analysis
50034124	3	ChEMBL_787205 (CHEMBL1918875)	Inhibition of human Hsp90beta after overnight incubation by fluorescence polarization assay
50049075	1	ChEMBL_1651999 (CHEMBL4001254)	Inhibition of IDO1 (unknown origin) using tryptophan as substrate preincubated for 15 mins followed by substrate addition by high-throughput screening assay
50049075	2	ChEMBL_1652000 (CHEMBL4001255)	Inhibition of CYP2C9 (unknown origin)
50034125	2	ChEMBL_787297 (CHEMBL1919075)	Inhibition of human placental microsomal 17beta-HSD2 using [3H]E2 as substrate by HPLC analysis
50049075	3	ChEMBL_1652001 (CHEMBL4001256)	Inhibition of CYP1A2 (unknown origin)
50049075	4	ChEMBL_1652002 (CHEMBL4001257)	Inhibition of CYP2C19 (unknown origin)
50049075	5	ChEMBL_1652003 (CHEMBL4001258)	Inhibition of CYP2D6 (unknown origin)
50049075	6	ChEMBL_1652004 (CHEMBL4001259)	Inhibition of CYP3A4 (unknown origin) using BFC as substrate
50049075	7	ChEMBL_1652005 (CHEMBL4001260)	Inhibition of CYP3A4 (unknown origin) using BZR as substrate
50049075	8	ChEMBL_1652006 (CHEMBL4001261)	Inhibition of CYP2C8 (unknown origin)
50049075	9	ChEMBL_1652007 (CHEMBL4001262)	Inhibition of CYP2B6 (unknown origin)
50049075	10	ChEMBL_1652013 (CHEMBL4001268)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production preincubated with cells followed by IFN-gamma addition measured after 20 hrs
50034127	1	ChEMBL_787525 (CHEMBL1919486)	Binding affinity to PKCdelta C1B subdomain after 1 hr by fluorescence quenching analysis
50034127	2	ChEMBL_787526 (CHEMBL1919487)	Binding affinity to PKCepsilon C1B subdomain after 1 hr by fluorescence quenching analysis
50034127	3	ChEMBL_787527 (CHEMBL1919488)	Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis
50034128	1	ChEMBL_787535 (CHEMBL1919496)	Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells
50034128	2	ChEMBL_787536 (CHEMBL1919497)	Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cells
50034128	3	ChEMBL_787537 (CHEMBL1919498)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated arachidonic acid release
50034129	1	ChEMBL_787603 (CHEMBL1918056)	Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human 293T cells by immunoblotting
50034130	1	ChEMBL_787696 (CHEMBL1918238)	Inhibition of aromatase after 10 mins preincubation by plate reader relative to control
50034130	2	ChEMBL_787699 (CHEMBL1918241)	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW 264.7 cells pretreated 15 mins before LPS challenge measured after 20 hrs relative to control
50034131	1	ChEMBL_787763 (CHEMBL1918442)	Inhibition of mouse recombinant MAGL expressed in african green monkey COS7 cells assessed as inhibition of 2-AG hydrolysis after 30 mins by LC-MS analysis
50034132	1	ChEMBL_788036 (CHEMBL1919015)	Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 30 uM [ATP]
50034132	2	ChEMBL_788035 (CHEMBL1919014)	Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]
50034132	3	ChEMBL_788221 (CHEMBL1919423)	Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]
50034132	4	ChEMBL_788222 (CHEMBL1919424)	Inhibition of PIM2 by millipore assay in the presence of 15 uM [ATP]
50034132	5	ChEMBL_788223 (CHEMBL1919425)	Inhibition of PIM3 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 155 uM [ATP]
50034132	6	ChEMBL_788224 (CHEMBL1919426)	Inhibition of FLT3 using EAIYAAPFAKKK as substrate by radiometric assay in the presence of 200 uM [ATP]
50034132	7	ChEMBL_788226 (CHEMBL1919428)	Inhibition of BAD phosphorylation at Ser112 in human MV-4-11 cells assessed as phospho-BAD level after 4 hrs by ELISA
50034132	8	ChEMBL_788227 (CHEMBL1919429)	Inhibition of FLT3 phosphorylation at Tyr591 in human MV-4-11 cells assessed as phospho-FLT3 level after 4 hrs by ELISA
50034133	1	ChEMBL_788409 (CHEMBL1918137)	Antagonist activity at prostanoid DP receptor in human platelet rich plasma assessed as inhibition of PGD2-induced intracellular cAMP production after 10 mins by enzyme immunoassay
50034133	2	ChEMBL_788407 (CHEMBL1918135)	Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting
50034133	3	ChEMBL_788406 (CHEMBL1918134)	Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50034133	4	ChEMBL_788408 (CHEMBL1918136)	Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after 10 mins by enzyme immunoassay
50034134	1	ChEMBL_786050 (CHEMBL1921660)	Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells
50049076	1	ChEMBL_1652055 (CHEMBL4001310)	Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addition measured after 18 hrs by ELISA
50049076	2	ChEMBL_1652017 (CHEMBL4001272)	Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addition measured after 18 hrs by ELISA
50049076	3	ChEMBL_1652021 (CHEMBL4001276)	Inhibition of KIT (unknown origin) using Tyr 06 as substrate after 1 hr by Z'-Lyte assay
50049076	4	ChEMBL_1652020 (CHEMBL4001275)	Inhibition of human recombinant His tagged PDGFRB cytoplasmic domain (556 to 1108 residues) expressed in baculovirus expression system using Tyr 04 as substrate after 1 hr by Z'-Lyte assay
50049076	5	ChEMBL_1652016 (CHEMBL4001271)	Inhibition of human recombinant GST tagged PDGFRA cytoplasmic domain expressed in baculovirus expression system using Tyr 04 as substrate after 1 hr by Z'-Lyte assay
50049076	6	ChEMBL_1652024 (CHEMBL4001279)	Binding affinity to recombinant human pirin by surface plasma resonance method
50034134	3	ChEMBL_786051 (CHEMBL1919682)	Inhibition of N-terminus polyHis-tagged human recombinant PI3Kbeta expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis
50034134	4	ChEMBL_786052 (CHEMBL1919683)	Inhibition of N-terminus polyHis-tagged human recombinant PI3Kgamma expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis
50034134	5	ChEMBL_786053 (CHEMBL1919684)	Inhibition of N-terminus polyHis-tagged human recombinant PI3Kdelta expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis
50034134	6	ChEMBL_786054 (CHEMBL1919685)	Inhibition of mTOR using GFP-tagged 4E-BP1 after 1 hr by spectrophotometric analysis
50034134	7	ChEMBL_786125 (CHEMBL1919868)	Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassay
50049076	7	ChEMBL_1652027 (CHEMBL4001282)	Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG addition measured after 6 hrs by Western blot method
50034135	1	ChEMBL_786225 (CHEMBL1920146)	Inhibition of firefly luciferase by ATPlite assay in absence of AMPK
50034136	1	ChEMBL_786342 (CHEMBL1920538)	Inhibition of human topoisomerase 2 alpha-mediated decatenation of kDNA by agarose gel electrophoresis
50034136	2	ChEMBL_786340 (CHEMBL1920536)	Competitive inhibition of human topoisomerase-2 alpha-ATPase activity by Lineweaver-Burk assay in presence of 200 to 520 uM ATP
50034137	1	ChEMBL_785761 (CHEMBL1920781)	Inhibition of human recombinant nNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50034137	2	ChEMBL_785763 (CHEMBL1920783)	Inhibition of human recombinant eNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50034137	3	ChEMBL_785764 (CHEMBL1920784)	Inhibition of human recombinant iNOS expressed in baculovirus infected Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50034137	4	ChEMBL_785768 (CHEMBL1920788)	Inhibition of human CYP1A2
50034137	5	ChEMBL_785769 (CHEMBL1920789)	Inhibition of human CYP2C9
50034137	6	ChEMBL_785770 (CHEMBL1920790)	Inhibition of human CYP3A4
50034137	7	ChEMBL_785771 (CHEMBL1920791)	Inhibition of human CYP2D6
50034137	8	ChEMBL_785772 (CHEMBL1920792)	Inhibition of human CYP2C19
50034137	9	ChEMBL_785762 (CHEMBL1920782)	Inhibition of rat nNOS
50034138	1	ChEMBL_785902 (CHEMBL1921212)	Inhibition of rat microsomal squalene synthase activity assessed as conversion of [3H]FPP to squalene
50034139	1	ChEMBL_786154 (CHEMBL1919988)	Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 100 uM epinephrine as substrate preincubated for 30 mins before substrate addition
50034139	2	ChEMBL_786156 (CHEMBL1919990)	Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 200 uM dopamine as substrate preincubated for 30 mins before substrate addition
50034139	3	ChEMBL_786157 (CHEMBL1919991)	Inhibition of Trametes versicolor laccase assessed as production of dopachrome using 300 uM L-dopa as substrate preincubated for 30 mins before substrate addition
50034140	1	ChEMBL_785488 (CHEMBL1919967)	Inhibition of human DAT
50049076	8	ChEMBL_1652047 (CHEMBL4001302)	Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay
50049076	9	ChEMBL_1652054 (CHEMBL4001309)	Inhibition of full length human recombinant GST-tagged BRAF (S429 to E741 residues) expressed in baculovirus expression system using Ser/Thr 03 mixture as substrate by Z'-Lyte assay
50049077	1	ChEBML_1652079	Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK3 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50049077	2	ChEBML_1652071	Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake after 15 mins by TopCount scintillation counting method
50049077	3	ChEBML_1652077	Displacement of [3H]NF608 from eGFP-fused recombinant rat full length GluK1 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50049077	9	ChEMBL_1652073 (CHEMBL4001328)	Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake after 15 mins by TopCount scintillation counting method
50049077	13	ChEMBL_1652077 (CHEMBL4001332)	Displacement of [3H]NF608 from eGFP-fused recombinant rat full length GluK1 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50049077	14	ChEMBL_1652071 (CHEMBL4001326)	Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake after 15 mins by TopCount scintillation counting method
50049077	10	ChEMBL_1652078 (CHEMBL4001333)	Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK2 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50049077	7	ChEMBL_1652085 (CHEMBL4001340)	Inhibition of GluK3 (unknown origin)
50049077	15	ChEMBL_1652079 (CHEMBL4001334)	Displacement of [3H]kainic acid from eGFP-fused recombinant rat full length GluK3 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50049077	4	ChEMBL_1652083 (CHEMBL4001338)	Displacement of (RS)-[3H]AMPA from eGFP-fused recombinant rat full length GluA2 receptor expressed in HEK293T/17 cells by liquid scintillation counting method
50034142	1	ChEMBL_785940 (CHEMBL1921340)	Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 40 uM after 3 hrs by fluorescence polarization competition assay
50034142	3	ChEMBL_785939 (CHEMBL1921249)	Displacement of BODIPY-Bak conjugated peptide from GST-tagged mouse wild type MCL1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay
50034142	4	ChEMBL_785843 (CHEMBL1921059)	Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay
50034142	5	ChEMBL_785799 (CHEMBL1920922)	Binding affinity for GST-tagged human wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 35 nM Bodipy-labelled compound after 3 hrs by fluorescence polarization assay
50034142	6	ChEMBL_785797 (CHEMBL1920920)	Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells
50034142	7	ChEMBL_785798 (CHEMBL1920921)	Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cells
50034143	1	ChEMBL_786179 (CHEMBL1920013)	Displacement of AE417-FAM peptide from human uPAR expressed in drosophila S2 cells by fluorescence polarization assay
50034144	1	ChEMBL_786285 (CHEMBL1920390)	Agonist activity at human S1P1 receptor
50034144	2	ChEMBL_786287 (CHEMBL1920392)	Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
50034144	3	ChEMBL_786289 (CHEMBL1920394)	Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
50034144	4	ChEMBL_786290 (CHEMBL1920395)	Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
50034144	5	ChEMBL_786293 (CHEMBL1920398)	Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
50034144	6	ChEMBL_786294 (CHEMBL1920399)	Agonist activity at recombinant human S1P2 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
50034144	7	ChEMBL_786295 (CHEMBL1920400)	Agonist activity at recombinant human S1P3 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
50034144	8	ChEMBL_786296 (CHEMBL1920401)	Agonist activity at recombinant human S1P4 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
50034144	9	ChEMBL_786297 (CHEMBL1920402)	Agonist activity at recombinant human S1P5 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
50034144	10	ChEMBL_784915 (CHEMBL1920307)	Inhibition of CYP1A2
50034144	11	ChEMBL_784916 (CHEMBL1920308)	Inhibition of CYP2D6
50034144	12	ChEMBL_784917 (CHEMBL1920309)	Inhibition of CYP2C9
50034144	13	ChEMBL_784918 (CHEMBL1920310)	Inhibition of CYP2C19
50034144	14	ChEMBL_784919 (CHEMBL1920311)	Inhibition of CYP3A4
50034144	15	ChEMBL_784920 (CHEMBL1920312)	Displacement of [3H]astemizole from human ERG
50034145	1	ChEMBL_787443 (CHEMBL1919362)	Inhibition of adenosine A1 receptor
50034145	2	ChEMBL_787444 (CHEMBL1919363)	Inhibition of adenosine A2A receptor
50034145	3	ChEMBL_787236 (CHEMBL1918958)	Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay
50049077	12	ChEMBL_1652080 (CHEMBL4001335)	Antagonist activity at recombinant rat full length GluK1 receptor expressed in HEK293T cells assessed as inhibition of glutamate induced increase in peak current at -100mV holding potential by patch-clamp method
50049077	6	ChEMBL_1652082 (CHEMBL4001337)	Displacement of [3H]-(2S,4R)-4-Methylglutamic acid from rat eGFP-fused GluK1 receptor LBD expressed in HEK293T/17 cells by liquid scintillation counting method
50034145	5	ChEMBL_787239 (CHEMBL1918961)	Inhibition of recombinant human PDE3A using [3H]cAMP after 1 hr by scintillation proximity assay
50034145	6	ChEMBL_787240 (CHEMBL1918962)	Inhibition of recombinant human PDE4A using [3H]cAMP after 1 hr by scintillation proximity assay
50049077	5	ChEMBL_1652072 (CHEMBL4001327)	Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake after 15 mins by TopCount scintillation counting method
50034145	8	ChEMBL_787242 (CHEMBL1918964)	Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay
50034145	9	ChEMBL_787243 (CHEMBL1918965)	Inhibition of recombinant human PDE7A using [3H]cAMP after 1 hr by scintillation proximity assay
50034145	10	ChEMBL_787237 (CHEMBL1918959)	Inhibition of recombinant human PDE1B using [3H]cAMP after 1 hr by scintillation proximity assay
50034145	11	ChEMBL_787238 (CHEMBL1918960)	Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation proximity assay
50034145	12	ChEMBL_787244 (CHEMBL1918966)	Inhibition of recombinant human PDE8A using [3H]cAMP after 1 hr by scintillation proximity assay
50034145	13	ChEMBL_787316 (CHEMBL1919143)	Inhibition of recombinant human PDE9A using [3H]cGMP after 1 hr by scintillation proximity assay
50034147	1	ChEMBL_787633 (CHEMBL1918086)	Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) after 10 mins by pull-down assay
50034147	2	ChEMBL_787634 (CHEMBL1918087)	Binding affinity to PLCdelta1 PH domain
50034147	3	ChEMBL_787632 (CHEMBL1918085)	Binding affinity to recombinant rat brain Grp1 PH domain (amino acids 1 to 120) by SPR analysis
50034147	4	ChEMBL_787631 (CHEMBL1918084)	Binding affinity to recombinant rat brain PLCdelta1 PH domain (amino acids 11 to 140) by SPR analysis
50034148	1	ChEMBL_786750 (CHEMBL1919591)	Inhibition of human cKit
50034148	2	ChEMBL_786751 (CHEMBL1919592)	Inhibition of human c-RAF
50034148	3	ChEMBL_786752 (CHEMBL1919593)	Inhibition of human cSRC
50034148	4	ChEMBL_786753 (CHEMBL1919594)	Inhibition of human DYRK2
50034148	5	ChEMBL_786754 (CHEMBL1919595)	Inhibition of human EGFR
50034148	6	ChEMBL_786755 (CHEMBL1919596)	Inhibition of human EphA2
50034148	7	ChEMBL_786756 (CHEMBL1919597)	Inhibition of human EphB1
50034148	8	ChEMBL_786757 (CHEMBL1919598)	Inhibition of human FGFR1
50034148	9	ChEMBL_786758 (CHEMBL1919599)	Inhibition of human Flt1
50034148	10	ChEMBL_786759 (CHEMBL1919600)	Inhibition of human GSK3-beta
50034148	11	ChEMBL_786760 (CHEMBL1919601)	Inhibition of human HIPK1
50034148	12	ChEMBL_786761 (CHEMBL1919602)	Inhibition of human IKK-beta
50034148	13	ChEMBL_786762 (CHEMBL1919603)	Inhibition of human IRAK1
50034148	14	ChEMBL_786763 (CHEMBL1919604)	Inhibition of human JAK3
50034148	15	ChEMBL_786764 (CHEMBL1919605)	Inhibition of human JNK1alpha1
50034148	16	ChEMBL_786765 (CHEMBL1919606)	Inhibition of human JNK2alpha2
50034148	17	ChEMBL_786766 (CHEMBL1919607)	Inhibition of human JNK3
50034148	18	ChEMBL_786767 (CHEMBL1919608)	Inhibition of human Lck
50034148	19	ChEMBL_786768 (CHEMBL1919609)	Inhibition of human MAPK1
50034148	21	ChEMBL_786770 (CHEMBL1919611)	Inhibition of human MAPKAP-K2
50034148	22	ChEMBL_786771 (CHEMBL1919612)	Inhibition of human MLCK
50034148	23	ChEMBL_786772 (CHEMBL1919613)	Inhibition of human MLK1
50034148	24	ChEMBL_786773 (CHEMBL1919614)	Inhibition of human Mnk2
50034148	25	ChEMBL_786774 (CHEMBL1919615)	Inhibition of human MSK1
50034148	26	ChEMBL_786639 (CHEMBL1921399)	Inhibition of human Abl
50034148	27	ChEMBL_786640 (CHEMBL1921400)	Inhibition of human ALK
50034148	28	ChEMBL_786641 (CHEMBL1921401)	Inhibition of human ASK1
50034148	29	ChEMBL_786642 (CHEMBL1921402)	Inhibition of human Aurora-A
50034148	30	ChEMBL_786643 (CHEMBL1921403)	Inhibition of human BTK
50034148	31	ChEMBL_786644 (CHEMBL1921404)	Inhibition of human CaMK4
50034148	32	ChEMBL_786645 (CHEMBL1921405)	Inhibition of human CDK6
50034148	34	ChEMBL_786748 (CHEMBL1919589)	Inhibition of human CK1gamma1
50034148	35	ChEMBL_786749 (CHEMBL1919590)	Inhibition of human CK1delta
50034148	36	ChEMBL_787635 (CHEMBL1918088)	Inhibition of p38alpha MAP kinase
50034148	37	ChEMBL_787640 (CHEMBL1918093)	Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis
50034148	38	ChEMBL_786775 (CHEMBL1919616)	Inhibition of human NEK2
50034148	39	ChEMBL_786776 (CHEMBL1919617)	Inhibition of human PDGFRbeta
50034148	40	ChEMBL_786777 (CHEMBL1919618)	Inhibition of human Pim-1
50034148	41	ChEMBL_786779 (CHEMBL1919620)	Inhibition of human PKBalpha
50049077	8	ChEMBL_1652084 (CHEMBL4001339)	Displacement of [3H]kainate from human GluK1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50034148	44	ChEMBL_786782 (CHEMBL1919623)	Inhibition of human PRAK
50034148	45	ChEMBL_786783 (CHEMBL1919624)	Inhibition of human PRK2
50034148	46	ChEMBL_786784 (CHEMBL1919625)	Inhibition of human RIPK2
50034148	48	ChEMBL_786786 (CHEMBL1919627)	Inhibition of human Rsk1
50034148	50	ChEMBL_786812 (CHEMBL1919730)	Inhibition of human SAPK2b
50034148	51	ChEMBL_786813 (CHEMBL1919731)	Inhibition of human SAPK3
50034148	52	ChEMBL_786814 (CHEMBL1919732)	Inhibition of human SAPK4
50034148	53	ChEMBL_786815 (CHEMBL1919733)	Inhibition of human SRPK1
50034148	54	ChEMBL_786816 (CHEMBL1919734)	Inhibition of human Syk
50034148	55	ChEMBL_786817 (CHEMBL1919735)	Inhibition of human TAK1
50034148	56	ChEMBL_786818 (CHEMBL1919736)	Inhibition of human TrkB
50034149	1	ChEMBL_786825 (CHEMBL1919743)	Inhibition of human ERG by ionworks HT assay
50034150	1	ChEMBL_786909 (CHEMBL1920023)	Displacement of [3H]spiperone from human DRD2 Long receptor expressed in chinese hamster CHO cells by radioligand binding assay
50034150	2	ChEMBL_786908 (CHEMBL1920022)	Displacement of [3H]SCH 23390 from pig dopamine D1 receptor in striatal membrane
50034150	3	ChEMBL_786940 (CHEMBL1920054)	Partial agonist activity at DRD2 Long receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation by bioluminescence assay
50034150	4	ChEMBL_786937 (CHEMBL1920051)	Agonist activity at DRD2 Long receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation by bioluminescence assay
50034150	5	ChEMBL_786911 (CHEMBL1920025)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in chinese hamster CHO cells by radioligand binding assay
50034150	6	ChEMBL_786910 (CHEMBL1920024)	Displacement of [3H]spiperone from human DRD2 short receptor expressed in chinese hamster CHO cells by radioligand binding assay
50034151	1	ChEMBL_787082 (CHEMBL1918572)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method
50034151	2	ChEMBL_787084 (CHEMBL1918574)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in presence of bovine serum albumin
50034151	3	ChEMBL_787083 (CHEMBL1918573)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method
50034151	4	ChEMBL_787085 (CHEMBL1918652)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman's method in presence of bovine serum albumin
50034151	5	ChEMBL_787087 (CHEMBL1918654)	Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay
50034151	6	ChEMBL_787089 (CHEMBL1918656)	Inhibition of human recombinant AChE using acetylthiocholine as substrate by Ellman's assay in presence of bovine serum albumin
50034151	7	ChEMBL_787088 (CHEMBL1918655)	Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay
50034151	8	ChEMBL_787090 (CHEMBL1918657)	Inhibition of human serum BuChE using butyrylthiocholine as substrate by Ellman's assay in presence of bovine serum albumin
50034151	9	ChEMBL_787092 (CHEMBL1918659)	Mixed-type inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis
50049077	11	ChEMBL_1652081 (CHEMBL4001336)	Antagonist activity at recombinant rat full length GluK2 receptor expressed in HEK293T cells assessed as inhibition of glutamate induced increase in peak current at -100mV holding potential by patch-clamp method
50049078	1	ChEMBL_1652111 (CHEMBL4001366)	Inhibition of PI3Kalpha catalytic domain (unknown origin) using PIP2 liposomes as substrate in presence of biotin-labeled PIP3 and GST-GRP1-PH by streptavidin-HRP based assays
50034152	2	ChEMBL_787160 (CHEMBL1918778)	Inhibition of COX2 by chemiluminescent enzyme assay
50049079	1	ChEMBL_1652196 (CHEMBL4001451)	Inhibition of mushroom tyrosinase diphenolase activity assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 20 mins followed by substrate addition measured for 1 min
50034153	1	ChEMBL_787169 (CHEMBL1918839)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid scintillation counting
50034153	2	ChEMBL_786344 (CHEMBL1920540)	Displacement of [3H]-ketanserin from 5-HT2A receptor in rat cortex by liquid scintillation counting
50034153	3	ChEMBL_786345 (CHEMBL1920541)	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50034153	4	ChEMBL_786347 (CHEMBL1920543)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50034154	1	ChEMBL_786455 (CHEMBL1920950)	Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine after 15 mins by amplex red assay
50034154	2	ChEMBL_786456 (CHEMBL1920951)	Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine after 15 mins by amplex red assay
50034155	1	ChEMBL_786495 (CHEMBL1921076)	Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat cortical membranes by gamma counting
50034155	2	ChEMBL_786498 (CHEMBL1921079)	Agonist activity at human alpha7 nAChR expressed in rat GH4C1 cells assessed as maximal electric current amplitude at 1 mM by whole-cell patch clamp electrophysiology assay relative to acetylcholine
50049080	1	ChEMBL_1652227 (CHEMBL4001482)	Displacement of [3H]U69593 from KOR in guinea pig brain membranes measured after 60 mins by scintillation counting method
50049080	2	ChEMBL_1652225 (CHEMBL4001480)	Displacement of [3H]DAMGO from MOR in guinea pig brain membranes measured after 60 mins by scintillation counting method
50049080	3	ChEMBL_1652221 (CHEMBL4001476)	Agonist activity at MOR (unknown origin) by [35S]GTPgamma binding assay
50049080	4	ChEMBL_1652218 (CHEMBL4001473)	Displacement of [3H]U69593 from human KOR expressed in CHO cells
50034156	2	ChEMBL_786503 (CHEMBL1921084)	Agonist activity at FXR
50049080	5	ChEMBL_1652217 (CHEMBL4001472)	Displacement of [3H]DPDPE from human DOR expressed in CHO cells
50049080	6	ChEMBL_1652216 (CHEMBL4001471)	Displacement of [3H]DAMGO from human MOR expressed in CHO cells
50049081	1	ChEMBL_1652332 (CHEMBL4001587)	Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent addition of substrate for 60 secs measured after 4 mins
50049082	1	ChEMBL_1652341 (CHEMBL4001596)	Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50034157	22	ChEMBL_786847 (CHEMBL1919765)	Inhibition of MTOR
50034157	23	ChEMBL_786848 (CHEMBL1919766)	Inhibition of p38alpha
50034157	24	ChEMBL_786849 (CHEMBL1919767)	Inhibition of PI3Kalpha
50049082	2	ChEMBL_1652343 (CHEMBL4001598)	Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50034157	26	ChEMBL_786851 (CHEMBL1919769)	Inhibition of human CRAF using [gamma-33P]ATP after 40 mins by scintillation counting
50049082	3	ChEMBL_1652344 (CHEMBL4001599)	Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50034158	1	ChEMBL_786917 (CHEMBL1920031)	Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells by Lineweaver-Burk plot analysis
50034158	2	ChEMBL_786918 (CHEMBL1920032)	Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis
50034159	1	ChEMBL_786919 (CHEMBL1920033)	Inhibition of EGFR by Z-LYTE assay
50034160	1	ChEMBL_786964 (CHEMBL1920170)	Inhibition of human VEGFR2 preincubated for 10 mins before ATP addition measured after 45 mins
50034161	1	ChEMBL_787039 (CHEMBL1918529)	Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method
50034161	2	ChEMBL_787037 (CHEMBL1918527)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50034162	1	ChEMBL_787183 (CHEMBL1918853)	Inhibition of GST-tagged PKB/Akt1 incubated for 5 mins before eNOS substrate and ATP addition measured after 30 mins by kinase assay
50034163	1	ChEMBL_786678 (CHEMBL1921531)	Inhibition of human placental 17beta-HSD2 assessed as formation of [2,4,6,7-3H]-estrone using [2,4,6,7-3H]-estradiol as substrate after 20 mins by radio flow detector-based HPLC analysis in presence of NAD+ as cofactor
50049082	4	ChEMBL_1652342 (CHEMBL4001597)	Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50034164	1	ChEMBL_789114 (CHEMBL1925438)	Inhibition of human recombinant full-length HDAC1 using fluorophore conjugated substrate by fluorescence assay
50034164	2	ChEMBL_789115 (CHEMBL1925439)	Inhibition of human recombinant full-length HDAC2 using fluorophore conjugated substrate by fluorescence assay
50034164	3	ChEMBL_789116 (CHEMBL1925440)	Inhibition of human recombinant full-length HDAC3 using fluorophore conjugated substrate by fluorescence assay
50034164	4	ChEMBL_789117 (CHEMBL1925441)	Inhibition of human recombinant full-length HDAC6 using fluorophore conjugated substrate by fluorescence assay
50034165	1	ChEMBL_788734 (CHEMBL1924665)	Inhibition of rat CAPN1 using BODIPY-labeled casein substrate by fluorometric analysis
50034165	2	ChEMBL_788735 (CHEMBL1924666)	Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis
50034166	1	ChEMBL_788807 (CHEMBL1924792)	Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation counting
50034166	2	ChEMBL_788808 (CHEMBL1924793)	Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation counting
50034167	1	ChEMBL_788856 (CHEMBL1924926)	Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay
50034167	2	ChEMBL_788858 (CHEMBL1924928)	Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay
50034167	3	ChEMBL_788860 (CHEMBL1924930)	Inhibition of CYP1A2 in human liver microsomes using acetaminophen as substrate
50034167	4	ChEMBL_788861 (CHEMBL1924931)	Inhibition of CYP2C9 in human liver microsomes using 4-hydroxydiclofenac as substrate
50034167	5	ChEMBL_788862 (CHEMBL1924932)	Inhibition of CYP2D6 in human liver microsomes using dextrophan tartarate as substrate
50034167	6	ChEMBL_789823 (CHEMBL1925084)	Inhibition of CYP3A4 in human liver microsomes using 1-hydroxymidazolam as substrate
50034167	7	ChEMBL_789831 (CHEMBL1925092)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
50034167	8	ChEMBL_789867 (CHEMBL1925174)	Positive allosteric modulator activity at rat mGlu5 receptor expressed in human HEK293 at 10 uM by calcium mobilization assay
50034167	9	ChEMBL_789869 (CHEMBL1925176)	Positive allosteric modulator activity at human mGlu6 receptor at 10 uM by thallium flux assay
50034167	10	ChEMBL_789871 (CHEMBL1925178)	Positive allosteric modulator activity at rat mGlu7 receptor at 10 uM by thallium flux assay
50034169	1	ChEMBL_790048 (CHEMBL1926380)	Inhibition of 17,20-lyase activity of human CYP17A1
50034169	2	ChEMBL_790049 (CHEMBL1926381)	Inhibition of CYP3A4
50034169	3	ChEMBL_790050 (CHEMBL1926382)	Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 mins by TLC analysis
50034169	4	ChEMBL_790048 (CHEMBL1926380)	Inhibition of 17,20-lyase activity of human CYP17A1
50034169	6	ChEMBL_790064 (CHEMBL1925454)	Inhibition of human B-lymphoblastoid cell microsomal CYP1A2 assessed as 7-ethoxyresorufin O-deethylation preincubated for 5 mins with substrate
50034169	8	ChEMBL_790066 (CHEMBL1925456)	Inhibition of human B-lymphoblastoid cell microsomal CYP2B6 assessed as ethoxycoumarin O-deethylation preincubated for 5 mins with substrate
50034169	9	ChEMBL_790067 (CHEMBL1925457)	Inhibition of human B-lymphoblastoid cell microsomal CYP2C8 assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrate
50034169	12	ChEMBL_790070 (CHEMBL1925460)	Inhibition of human B-lymphoblastoid cell microsomal CYP2C19 assessed as (S)-mephenytoin 4'-hydroxylation preincubated for 5 mins with substrate
50034169	13	ChEMBL_790071 (CHEMBL1925461)	Inhibition of human B-lymphoblastoid cell microsomal CYP2D6 assessed as (+)-bufuralol 1'-hydroxylation preincubated for 5 mins with substrate
50034169	14	ChEMBL_790072 (CHEMBL1925462)	Inhibition of human B-lymphoblastoid cell microsomal CYP2E1 assessed as 4-nitrophenol hydroxylation preincubated for 5 mins with substrate
50034169	15	ChEMBL_790049 (CHEMBL1926381)	Inhibition of CYP3A4
50034170	1	ChEMBL_790079 (CHEMBL1925469)	Inhibition of PI3K subunit p110beta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polarization assay
50034170	2	ChEMBL_790080 (CHEMBL1925470)	Inhibition of PI3K subunit p110delta assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polarization assay
50034170	3	ChEMBL_790088 (CHEMBL1925478)	Inhibition of PIK3 gamma-mediated Akt phosphorylation at Ser473 in human PC3 cells by ELISA
50034170	5	ChEMBL_790094 (CHEMBL1925484)	Inhibition of Fgr
50034170	6	ChEMBL_790095 (CHEMBL1925485)	Inhibition of Mlk1
50034170	7	ChEMBL_790096 (CHEMBL1925486)	Inhibition of Syk
50034170	8	ChEMBL_790097 (CHEMBL1925487)	Inhibition of PIKKC2alpha
50034170	9	ChEMBL_790077 (CHEMBL1925467)	Inhibition of PI3K subunit p110alpha assessed as formation of phosphatidylinositide-3-phosphate product formation after 30 mins by fluorescence polarization assay
50034170	10	ChEMBL_790098 (CHEMBL1925488)	Inhibition of PIKKC2beta by scintillation proximity assay
50034170	11	ChEMBL_790099 (CHEMBL1925489)	Inhibition of VPS34 by scintillation proximity assay
50034170	12	ChEMBL_790100 (CHEMBL1925490)	Inhibition of PI4Kalpha
50034170	13	ChEMBL_790101 (CHEMBL1925491)	Inhibition of PI4Kbeta
50034171	1	ChEMBL_790682 (CHEMBL1926135)	Inhibition of CDK9/cyclin T1
50034171	2	ChEMBL_790695 (CHEMBL1926148)	Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expression
50034171	3	ChEMBL_790696 (CHEMBL1926149)	Inhibition of CDK9 in human HT29 cells assessed as reduction in RNA polymerase 2 expression
50034171	4	ChEMBL_790668 (CHEMBL1926121)	Inhibition of CDK7/cyclin H
50034171	5	ChEMBL_790670 (CHEMBL1926123)	Inhibition of ERK2
50034172	1	ChEMBL_790766 (CHEMBL1926219)	Inhibition of recombinant human AKT1 using GSK3 (amino acids 14 to 27) as substrate
50034172	2	ChEMBL_790767 (CHEMBL1926220)	Inhibition of recombinant human ALK
50034172	3	ChEMBL_790768 (CHEMBL1926221)	Inhibition of recombinant human ARK5
50034172	5	ChEMBL_790770 (CHEMBL1926223)	Inhibition of recombinant human AXL
50034172	6	ChEMBL_790771 (CHEMBL1926224)	Inhibition of recombinant human FAK using poly(Glu,Tyr)4:1 as substrate
50034172	7	ChEMBL_790772 (CHEMBL1926225)	Inhibition of recombinant human IGF1-R using poly(Glu,Tyr)4:1 as substrate
50034172	8	ChEMBL_790773 (CHEMBL1926226)	Inhibition of wild type human MEK1
50034172	9	ChEMBL_790774 (CHEMBL1926227)	Inhibition of wild type human MET using poly(Ala,Glu,Lys,Tyr) as substrate
50034172	10	ChEMBL_790775 (CHEMBL1926228)	Inhibition of recombinant human NEK2
50034172	11	ChEMBL_790776 (CHEMBL1926229)	Inhibition of recombinant human NEK6
50034172	12	ChEMBL_790777 (CHEMBL1926230)	Inhibition of recombinant human PIM1
50034172	13	ChEMBL_790778 (CHEMBL1926231)	Inhibition of recombinant human PLK1 using casein as substrate
50034172	14	ChEMBL_790779 (CHEMBL1926232)	Inhibition of recombinant human PRK1
50034172	15	ChEMBL_790780 (CHEMBL1926233)	Inhibition of recombinant human SRC using poly(Glu,Tyr)4:1 as substrate
50034172	16	ChEMBL_790781 (CHEMBL1926234)	Inhibition of recombinant human VEGF-R2 using poly(Glu,Tyr)4:1 as substrate
50034173	1	ChEMBL_790782 (CHEMBL1926235)	Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis
50034173	2	ChEMBL_790793 (CHEMBL1926246)	Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis
50034173	3	ChEMBL_790792 (CHEMBL1926245)	Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis
50034173	4	ChEMBL_790790 (CHEMBL1926243)	Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis
50034174	1	ChEMBL_790943 (CHEMBL1925559)	Inhibition of Candida albicans isocitrate lyase after 30 mins
50034175	1	ChEMBL_790945 (CHEMBL1925561)	Inhibition of recombinant c-met by HTRF assay
50034175	3	ChEMBL_790947 (CHEMBL1925563)	Inhibition of FLT3
50034175	4	ChEMBL_790948 (CHEMBL1925564)	Inhibition of TRKA
50034175	5	ChEMBL_790949 (CHEMBL1925565)	Inhibition of AurA
50034176	1	ChEMBL_790999 (CHEMBL1925660)	Inhibition of human 5HT2B receptor expressed in cos-7 cells assessed as [3H]5-HT uptake after 120 mins
50034177	1	ChEMBL_791001 (CHEMBL1925662)	Inhibition of human erythrocyte AChE incubated for 12 mins before addition of acetylthiocholine iodide substrate by spectrophotometric analysis
50034177	2	ChEMBL_791003 (CHEMBL1925664)	Inhibition of horse serum BChE incubated for 12 mins before addition of butyrylcholine iodide substrate by spectrophotometric analysis
50034177	3	ChEMBL_791004 (CHEMBL1925665)	Inhibition of pig liver carboxylesterase using p-nitrophenyl acetate as substrate by spectrophotometric analysis
50034178	1	ChEMBL_789305 (CHEMBL1924472)	Inhibition of green coffee beans alpha-galactosidase by spectrometry
50034178	2	ChEMBL_789302 (CHEMBL1924469)	Inhibition of bovine liver beta-galactosidase by spectrometry
50034179	1	ChEMBL_789309 (CHEMBL1924476)	Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay
50034179	2	ChEMBL_789310 (CHEMBL1924477)	Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis
50034179	3	ChEMBL_789313 (CHEMBL1924480)	Inhibition of rat DGAT1
50034180	1	ChEMBL_789411 (CHEMBL1924333)	Inhibition of His-tagged ATP-binding domain of AKT1 assessed as GRPRTSSFAEG crosstide phosphorylation using [33P]ATP
50049082	5	ChEMBL_1652345 (CHEMBL4001600)	Inhibition of full length GST-tagged recombinant human DYRK1A expressed in baculovirus expression system
50049082	6	ChEMBL_1652347 (CHEMBL4001602)	Inhibition of full length GST-tagged recombinant human CSNK1G3 expressed in baculovirus expression system
50034181	2	ChEMBL_789414 (CHEMBL1924336)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced [125I]cAMP accumulation after 30 mins by scintillation counting
50049082	7	ChEMBL_1652340 (CHEMBL4001595)	Inhibition of N-terminal His-tagged truncated recombinant human ECE1 expressed in mammalian expression system
50049082	8	ChEMBL_1652339 (CHEMBL4001594)	Inhibition of 5HT1A receptor (unknown origin)
50049082	9	ChEMBL_1652351 (CHEMBL4001606)	Inhibition of PI3Kdelta-mediated AKT phosphorylation at ser473 residue in human JeKo1 cells preincubated for 60 mins followed by anti-IgM stimulation measured after 10 mins by TR-FRET assay
50049082	10	ChEMBL_1652352 (CHEMBL4001607)	Inhibition of PI3Kgamma-mediated AKT phosphorylation at ser473 in mouse RAW246 cells preincubated for 3 hrs followed by C5a stimulation measured after 3 mins by TR-FFET assay
50034181	4	ChEMBL_789517 (CHEMBL1924544)	Inhibition of human GIP receptor by cAMP assay
50034182	1	ChEMBL_789528 (CHEMBL1924555)	Antagonist activity at CqsS receptor in Vibrio cholerae MM920 assessed as inhibition of quorum sensing regulated CAI-1 induced bioluminescence after 4 hrs by scintillation counting
50034182	2	ChEMBL_789525 (CHEMBL1924552)	Agonist activity at CqsS receptor in cqsA-deficient, luxQ-deficient Vibrio cholerae MM920 harboring cosmid pBB1 carrying Vibrio harveyi luxCDABE gene assessed as induction of quorum sensing regulated bioluminescence after 4 hrs by scintillation counting
50034183	1	ChEMBL_789706 (CHEMBL1924832)	Inhibition of N-terminus peptide (DYKDDDD)-tagged HER4 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 60 mins by scintillation counting
50034183	2	ChEMBL_789707 (CHEMBL1924833)	Inhibition of C-terminus flag-tagged MEK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	3	ChEMBL_789708 (CHEMBL1924834)	Inhibition of N-terminus flag-tagged MEK5 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	4	ChEMBL_789674 (CHEMBL1924800)	Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 60 mins by scintillation counting
50034183	5	ChEMBL_789709 (CHEMBL1924835)	Inhibition of N-terminus flag-tagged c-MET expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	7	ChEMBL_789711 (CHEMBL1924837)	Inhibition of N-terminus flag-tagged VEGRF1 expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	8	ChEMBL_789712 (CHEMBL1924838)	Inhibition of N-terminus flag-tagged VEGRF2 expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	9	ChEMBL_789713 (CHEMBL1924839)	Inhibition of N-terminus flag-tagged FGFR1 expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	10	ChEMBL_789714 (CHEMBL1924840)	Inhibition of N-terminus flag-tagged FGFR3 expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	11	ChEMBL_789715 (CHEMBL1924885)	Inhibition of N-terminus flag-tagged PDGFRalpha expressed in baculovirus infected insect cells using ATP as substrate after 30 mins
50034183	12	ChEMBL_789716 (CHEMBL1924886)	Inhibition of N-terminus flag-tagged PDGFRbeta expressed in baculovirus infected insect cells using ATP as substrate after 60 mins
50034183	13	ChEMBL_789718 (CHEMBL1924888)	Inhibition of N-terminus flag-tagged TIE2 expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	14	ChEMBL_789719 (CHEMBL1924889)	Inhibition of N-terminus flag-tagged c-kit expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	15	ChEMBL_789720 (CHEMBL1924890)	Inhibition of N-terminus flag-tagged IGF-1R expressed in baculovirus infected insect cells using ATP as substrate after 20 mins
50034183	16	ChEMBL_789721 (CHEMBL1924891)	Inhibition of N-terminus flag-tagged Src expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	17	ChEMBL_789722 (CHEMBL1924892)	Inhibition of N-terminus flag-tagged Lck expressed in baculovirus infected insect cells using ATP as substrate after 20 mins
50034183	18	ChEMBL_789723 (CHEMBL1924893)	Inhibition of N-terminus flag-tagged CSK expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	19	ChEMBL_789724 (CHEMBL1924894)	Inhibition of N-terminus flag-tagged FAK expressed in baculovirus infected insect cells using ATP as substrate after 60 mins
50034183	20	ChEMBL_789725 (CHEMBL1924895)	Inhibition of N-terminus flag-tagged LynA expressed in baculovirus infected insect cells using ATP as substrate after 10 mins
50034183	22	ChEMBL_789727 (CHEMBL1924897)	Inhibition of N-terminus flag-tagged ASK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	23	ChEMBL_789728 (CHEMBL1924898)	Inhibition of N-terminus flag-tagged TAK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	24	ChEMBL_789729 (CHEMBL1924899)	Inhibition of C-terminus flag-tagged MEKK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	25	ChEMBL_789889 (CHEMBL1925196)	Inhibition of C-terminus flag-tagged IKK-beta expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	26	ChEMBL_789890 (CHEMBL1925197)	Inhibition of N-terminus flag-tagged JNK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	27	ChEMBL_789891 (CHEMBL1925198)	Inhibition of N-terminus flag-tagged ERK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	28	ChEMBL_789892 (CHEMBL1925199)	Inhibition of N-terminus flag-tagged p38alpha expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	29	ChEMBL_789894 (CHEMBL1925201)	Inhibition of N-terminus flag-tagged PKCtheta expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	30	ChEMBL_789895 (CHEMBL1925202)	Inhibition of N-terminus flag-tagged GSK3-beta expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	31	ChEMBL_789896 (CHEMBL1925203)	Inhibition of N-terminus flag-tagged B-raf expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	32	ChEMBL_789897 (CHEMBL1925204)	Inhibition of N-terminus flag-tagged TTK expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034183	33	ChEMBL_789898 (CHEMBL1925205)	Inhibition of N-terminus flag-tagged PLK1 expressed in baculovirus infected insect cells using [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034184	1	ChEMBL_789921 (CHEMBL1925274)	Inhibition of ROCK1
50034185	1	ChEMBL_789936 (CHEMBL1925289)	Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay
50034185	2	ChEMBL_789935 (CHEMBL1925288)	Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay
50034186	1	ChEMBL_790127 (CHEMBL1926406)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting
50034186	2	ChEMBL_790128 (CHEMBL1926407)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting
50034186	3	ChEMBL_790129 (CHEMBL1926408)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting
50034187	1	ChEMBL_790131 (CHEMBL1926410)	Agonist activity at human TLR2 expressed in HEK293 cells assessed as NF-kappaB induction measured soluble alkaline phosphatase after 12 hrs by spectrophotometric analysis
50034188	1	ChEMBL_790328 (CHEMBL1925781)	Displacement of Eu-NDP-alphaMSH from human MC1 receptor expressed in human HCT116 cells after 1.5 hrs by time-resolved fluorescence analysis
50034188	2	ChEMBL_790329 (CHEMBL1925782)	Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis
50034188	3	ChEMBL_790330 (CHEMBL1925783)	Displacement of Eu-NDP-alphaMSH from human MC5 receptor expressed in human HEK293 cells after 1.5 hrs by time-resolved fluorescence analysis
50034189	1	ChEMBL_790354 (CHEMBL1925807)	Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 DNA
50034189	2	ChEMBL_790355 (CHEMBL1925808)	Inhibition of human topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA
50034190	1	ChEMBL_790541 (CHEMBL1925994)	Binding affinity to human histamine H2 receptor
50034190	2	ChEMBL_790540 (CHEMBL1925993)	Binding affinity to human histamine H1 receptor
50034190	3	ChEMBL_790542 (CHEMBL1925995)	Binding affinity to human histamine H4 receptor
50034190	4	ChEMBL_790522 (CHEMBL1925975)	Inhibition of CYP1A2
50034190	5	ChEMBL_790523 (CHEMBL1925976)	Inhibition of CYP2C9
50034190	6	ChEMBL_790524 (CHEMBL1925977)	Inhibition of CYP2C19
50034190	7	ChEMBL_790525 (CHEMBL1925978)	Inhibition of CYP2D6
50034190	8	ChEMBL_790526 (CHEMBL1925979)	Inhibition of CYP3A4
50034190	9	ChEMBL_790543 (CHEMBL1925996)	Inhibition of basal activity of human histamine H3 receptor expressed in CHO cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding after 4 hrs by beta liquid scintillation counting
50034190	10	ChEMBL_790538 (CHEMBL1925991)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells
50034190	11	ChEMBL_790539 (CHEMBL1925992)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
50034191	1	ChEMBL_790544 (CHEMBL1925997)	Binding affinity to Hsp90 N-domain
50034191	2	ChEMBL_790547 (CHEMBL1926000)	Binding affinity to human Hsp90 closed state by fluorescence polarization anisotropy
50034191	3	ChEMBL_790548 (CHEMBL1926001)	Binding affinity to Hsp90 after 1 hrs by Western blotting
50034192	1	ChEMBL_789248 (CHEMBL1924373)	Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation
50034192	2	ChEMBL_789255 (CHEMBL1924380)	Inhibition of CYP1A2
50034192	3	ChEMBL_789256 (CHEMBL1924381)	Inhibition of CYP2D6
50034192	4	ChEMBL_789257 (CHEMBL1924382)	Inhibition of CYP2C19
50034192	5	ChEMBL_789258 (CHEMBL1924383)	Inhibition of CYP3A4
50034192	6	ChEMBL_789259 (CHEMBL1924384)	Inhibition of CYP2C9
50034192	8	ChEMBL_789271 (CHEMBL1924438)	Inhibition of BRK
50034192	10	ChEMBL_789273 (CHEMBL1924440)	Inhibition of RET
50049082	11	ChEMBL_1652346 (CHEMBL4001601)	Inhibition of full length GST-tagged recombinant human DYRK1B expressed in baculovirus expression system
50034192	12	ChEMBL_789275 (CHEMBL1924442)	Inhibition of EphB1
50034192	13	ChEMBL_789276 (CHEMBL1924443)	Inhibition of KDR
50034193	1	ChEMBL_789428 (CHEMBL1924404)	Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells
50034194	1	ChEMBL_789431 (CHEMBL1924407)	Inhibition of PSMA using N-[4-(phenylazo)-benzoyl]-glutamyl-gamma-glutamic acid as substrate after 15 mins by HPLC analysis
50049083	1	ChEBML_1652371	Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50049083	2	ChEBML_1652370	Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50034195	2	ChEMBL_789439 (CHEMBL1924415)	Displacement of [125I]galanin from GalR2 by gamma counting
50034196	1	ChEMBL_789446 (CHEMBL1924422)	Inhibition of ROCK1
50034196	2	ChEMBL_789445 (CHEMBL1924421)	Inhibition of ROCK2
50034197	1	ChEMBL_789559 (CHEMBL1924586)	Antagonist activity at human MCHR1 expressed in Jurkat cells co-expressing apoaequorin assessed as inhibition of MCH-induced calcium mobilization by aequorin bioluminescence assay
50034197	2	ChEMBL_789560 (CHEMBL1924587)	Displacement of [125I]-MCH from MCHR1 after 2 hrs by beta scintillation counting
50034197	3	ChEMBL_789580 (CHEMBL1924621)	Antagonist activity at rat MCHR1 expressed in HEK293 cells by aequorin bioluminescence assay
50034197	4	ChEMBL_789586 (CHEMBL1924627)	Antagonist activity at cynomolgus monkey MCHR1
50034199	1	ChEMBL_789760 (CHEMBL1924976)	Binding affinity to human N-His6-tagged B-Raf expressed in Sf9 cells
50034199	2	ChEMBL_789759 (CHEMBL1924975)	Inhibition of wild type B-Raf assessed as inhibition of MEK1 phosphorylation using [gamma-33P]ATP by beta counting
50034199	3	ChEMBL_789758 (CHEMBL1924974)	Inhibition of human recombinant his6-tagged B-Raf expressed in Sf9 cells assessed as inhibition of MEK1 phosphorylation after 60 mins
50034200	1	ChEMBL_789778 (CHEMBL1924994)	Inhibition of human recombinant 5-HT6 receptor expressed in human HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation
50034201	1	ChEMBL_790179 (CHEMBL1925519)	Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobilization after 2.5 mins
50034201	2	ChEMBL_790181 (CHEMBL1925521)	Antagonist activity at human muscarinic acetylcholine receptor 4 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50034201	3	ChEMBL_790182 (CHEMBL1925522)	Antagonist activity at human muscarinic acetylcholine receptor 1 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50034201	4	ChEMBL_790183 (CHEMBL1925523)	Positive allosteric modulation of rat mGlu4 receptor expressed in human HEK293 cells co-expressing GIRK potassium channels assessed as potentiation of carbachol-induced thallium flux measured between 10 to 20 secs
50034201	5	ChEMBL_790177 (CHEMBL1925517)	Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as potentiation of EC20 glutamate-induced calcium mobilization after 2.5 mins
50034202	1	ChEMBL_790190 (CHEMBL1925530)	Binding affinity to PI3Kbeta
50034202	2	ChEMBL_790195 (CHEMBL1925535)	Binding affinity to PI3Kalpha
50034203	3	ChEMBL_790369 (CHEMBL1925822)	Antagonist activity at human GIP receptor assessed as inhibition of cAMP production
50034203	4	ChEMBL_790372 (CHEMBL1925825)	Displacement of [35S]-MK-499 from human ERG expressed in HEK cells
50034203	5	ChEMBL_790373 (CHEMBL1925826)	Inhibition of CYP3A4
50034203	6	ChEMBL_790374 (CHEMBL1925827)	Inhibition of CYP2C9
50034203	7	ChEMBL_790375 (CHEMBL1925828)	Inhibition of CYP2D6
50034203	8	ChEMBL_790196 (CHEMBL1925536)	Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay
50034204	1	ChEMBL_790392 (CHEMBL1925845)	Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay
50034205	1	ChEMBL_790403 (CHEMBL1925856)	Inhibition of Abl using DAIpYAAPFAKKK phosphopeptide as substrate by MALDI-MS analysis
50034206	1	ChEMBL_790406 (CHEMBL1925859)	Inhibition of CDK2/Cyclin A2 in human HeLa cell extracts using histone H1 as substrate preincubated for 30 mins before substrate addition measured after 15 mins by autoradiography
50034207	1	ChEMBL_790587 (CHEMBL1926040)	Inhibition of aldose reductase
50034208	1	ChEMBL_790588 (CHEMBL1926041)	Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells
50034208	2	ChEMBL_790589 (CHEMBL1926042)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells
50034208	3	ChEMBL_790590 (CHEMBL1926043)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50034208	4	ChEMBL_790592 (CHEMBL1926045)	Displacement of [3H]WAY100635 from dopamine D1 receptor in porcine striatal membranes
50034208	5	ChEMBL_790594 (CHEMBL1926047)	Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cortical membranes
50034208	6	ChEMBL_790725 (CHEMBL1926178)	Binding affinity to dopamine D4 receptor in Wistar rat brain slices
50034209	1	ChEMBL_790734 (CHEMBL1926187)	Inhibition of ATPase activity of recombinant Staphylococcus aureus DNA gyrase B hybrid tetramer enzyme reconstituted from Escherichia coli GyrA by ammonium molybdate/malachite green phosphate assay
50034210	1	ChEMBL_790745 (CHEMBL1926198)	Inhibition of human factor 10a using phenyl-Ile-Glu-Gly-Arg-pNA as substrate preincubated for 3 mins prior to substrate addition by spectrophotometry
50034210	2	ChEMBL_790748 (CHEMBL1926201)	Inhibition of human alpha-thrombin by Michaelis-Menten equation analysis
50034210	3	ChEMBL_790750 (CHEMBL1926203)	Inhibition of human factor 10a by Michaelis-Menten equation analysis
50034210	4	ChEMBL_790751 (CHEMBL1926204)	Inhibition of human activated protein C by Michaelis-Menten equation analysis
50034210	5	ChEMBL_790752 (CHEMBL1926205)	Inhibition of human factor 11a by Michaelis-Menten equation analysis
50034210	6	ChEMBL_790753 (CHEMBL1926206)	Inhibition of human factor 7a by Michaelis-Menten equation analysis
50034210	7	ChEMBL_790754 (CHEMBL1926207)	Inhibition of human plasmin by Michaelis-Menten equation analysis
50034210	8	ChEMBL_790755 (CHEMBL1926208)	Inhibition of human TPA by Michaelis-Menten equation analysis
50034210	9	ChEMBL_790764 (CHEMBL1926217)	Inhibition of human u-PA by Michaelis-Menten equation analysis
50034211	1	ChEMBL_790799 (CHEMBL1926252)	Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay
50034211	2	ChEMBL_790800 (CHEMBL1926253)	Inhibition of human GST-tagged ALK expressed in SF21 insect cells using PLCgamma/GST as substrate after 15 mins by time-resolved fluorescence assay
50034212	1	ChEMBL_790818 (CHEMBL1926271)	Inhibition of human recombinant full length CA1 preincubated for 15 mins by stopped flow CO2 hydration assay
50034212	2	ChEMBL_790819 (CHEMBL1926272)	Inhibition of human recombinant full length CA2 preincubated for 15 mins by stopped flow CO2 hydration assay
50034212	3	ChEMBL_790820 (CHEMBL1926273)	Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50034212	4	ChEMBL_790821 (CHEMBL1926274)	Inhibition of human recombinant full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay
50034213	1	ChEMBL_790911 (CHEMBL1926459)	Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) production after 24 hrs by whole cell assay
50034213	2	ChEMBL_790880 (CHEMBL1926333)	Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis
50034213	3	ChEMBL_790907 (CHEMBL1926455)	Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis
50034213	4	ChEMBL_790908 (CHEMBL1926456)	Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis-Menten equation
50034213	5	ChEMBL_790909 (CHEMBL1926457)	Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis-Menten equation
50034213	6	ChEMBL_790910 (CHEMBL1926458)	Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs by whole cell assay
50034214	1	ChEMBL_790914 (CHEMBL1926462)	Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 cells
50034214	2	ChEMBL_790927 (CHEMBL1926475)	Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 cells in presence of 100 nM PMSF
50034214	3	ChEMBL_790915 (CHEMBL1926463)	Displacement of [3H]CP55940 from human CB2 receptor expressed in human HEK293 cells
50034214	4	ChEMBL_790917 (CHEMBL1926465)	Agonist activity at MF1 mouse brain CB1 receptor assessed as induction of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50034215	1	ChEMBL_790928 (CHEMBL1926476)	Inhibition of GST-tagged human recombinant PTP1B assessed as dephosphorylation of para-nitrophenyl phosphate after 10 mins by spectrophotometric analysis
50034216	1	ChEMBL_790969 (CHEMBL1925585)	Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry
50034217	1	ChEMBL_791027 (CHEMBL1925688)	Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis
50034217	2	ChEMBL_791030 (CHEMBL1925691)	Displacement of [3H]DHT from human androgen receptor expressed in Escherichia coli BL21 cells
50034217	3	ChEMBL_791031 (CHEMBL1925692)	Displacement of 5-iodoacetamidofluorescein labeled SRC23 peptide CKENALLRYLLDKDD human androgen receptor AF2 site expressed in Escherichia coli BL21 cells by fluorescence polarization assay
50034218	1	ChEMBL_791034 (CHEMBL1925695)	Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs
50034218	2	ChEMBL_791035 (CHEMBL1925745)	Antagonist activity at human CCR2 receptor expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs in presence of 5% human serum albumin
50034219	1	ChEMBL_789370 (CHEMBL1924248)	Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry
50034220	1	ChEMBL_789473 (CHEMBL1924500)	Inhibition of human recombinant MAGL assessed as [3H]oleoylglycerol hydrolysis after 10 mins by liquid scintillation counting
50034220	2	ChEMBL_789475 (CHEMBL1924502)	Inhibition of human recombinant MAGL assessed as inhibition of 2-oleoylglycerol hydrolysis preincubated for 10 mins by LC/MS analysis
50034220	3	ChEMBL_789476 (CHEMBL1924503)	Inhibition of rat recombinant N-terminal his-tagged MAGL expressed in Escherichia coli DH5alpha assessed as 2-oleoylglycerol hydrolysis after 10 mins by LC/MS analysis
50034220	4	ChEMBL_789477 (CHEMBL1924504)	Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counting
50049083	3	ChEMBL_1652371 (CHEMBL4001626)	Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50049083	4	ChEMBL_1652370 (CHEMBL4001625)	Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50034221	2	ChEMBL_789492 (CHEMBL1924519)	Inhibition of FLAP in rat whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA
50049084	1	ChEMBL_1652462 (CHEMBL4001717)	Inhibition of PMDM6-F binding to recombinant human His-tagged MDM2 (1 to 118 residues) after 15 mins by fluorescence polarization assay
50049085	1	ChEMBL_1652512 (CHEMBL4001767)	Inhibition of N-terminal 6His/TEV protease cleavage site-tagged wild type human EGFR using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50049086	1	ChEMBL_1652532 (CHEMBL4001787)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50049087	1	ChEMBL_1652535 (CHEMBL4001790)	Inhibition of human topoisomerase-2 alpha expressed in baculovirus infected insect cells assessed as reduction in enzyme-meditaed supercoiled pRYG DNA substrate relaxation in presence of buffer containing DTT after 30 mins by agarose gel electrophoresis method
50049088	1	ChEMBL_1652543 (CHEMBL4001798)	Inhibition of TPH1 (unknown origin)
50049088	2	ChEMBL_1652563 (CHEMBL4001818)	Inhibition of TPH2 (unknown origin)
50034221	6	ChEMBL_789491 (CHEMBL1924518)	Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear cell membranes after 1 hr by scintillation counting
50049089	1	ChEMBL_1652592 (CHEMBL4001847)	Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in African green monkey COS7 cell membranes after 2 hrs by microbeta scintillation counting method
50049089	2	ChEMBL_1652599 (CHEMBL4001854)	Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell membranes by scintillation counting method
50049089	3	ChEMBL_1652600 (CHEMBL4001855)	Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes after 80 mins by microbeta scintillation counting method
50049089	4	ChEMBL_1652593 (CHEMBL4001848)	Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulator site (S2) expressed in African green monkey COS7 cell membranes after 90 mins by scintillation counting method
50049089	5	ChEMBL_1652597 (CHEMBL4001852)	Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scintillation counting method
50034221	15	ChEMBL_789607 (CHEMBL1924648)	Inhibition of human CYP3A4
50034221	16	ChEMBL_789608 (CHEMBL1924649)	Inhibition of human CYP2C9
50034221	17	ChEMBL_789609 (CHEMBL1924650)	Inhibition of human CYP2D6
50034221	18	ChEMBL_789629 (CHEMBL1924714)	Inhibition of LTA4 hydroxylase
50034221	19	ChEMBL_789630 (CHEMBL1924715)	Inhibition of LTC4 synthase
50034221	20	ChEMBL_789631 (CHEMBL1924716)	Inhibition of 5-lipoxygenase
50034221	21	ChEMBL_789632 (CHEMBL1924717)	Inhibition of COX2-mediated PGE2 production in human whole blood assay
50034221	22	ChEMBL_789633 (CHEMBL1924718)	Inhibition of human CYP2C19
50034221	23	ChEMBL_789634 (CHEMBL1924719)	Inhibition of human CYP1A2
50034222	1	ChEMBL_789638 (CHEMBL1924723)	Antagonist activity at human CCR2
50034222	2	ChEMBL_789640 (CHEMBL1924725)	Antagonist activity at CCR2 by calcium mobilization assay
50034222	3	ChEMBL_789641 (CHEMBL1924726)	Antagonist activity at CCR2 by chemotaxis functional assay
50034223	1	ChEMBL_789796 (CHEMBL1925012)	Inhibition of ERalpha
50034224	2	ChEMBL_789800 (CHEMBL1925061)	Inhibition of nucleophosmin-fused ALK autophosphorylation in human Karpas299 cells
50034224	3	ChEMBL_789801 (CHEMBL1925062)	Inhibition of human cytoplasmic domain of VEGFR-2 by time-resolved fluorescence assay
50049089	6	ChEMBL_1652598 (CHEMBL4001853)	Displacement of [3H]-(+/-)-citalopram from Sprague-Dawley rat brain SERT primary site (S1) after 2 hrs by liquid scintillation counting method
50049090	1	ChEMBL_1652603 (CHEMBL4001858)	Inhibition of N-terminal GST-tagged recombinant human wild-type FLT3 (564 to end residues) expressed in baculovirus infected sf21 cells using Abltide as substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50049091	1	ChEMBL_1652630 (CHEMBL4001885)	Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) as substrate after 5 mins by HPLC analysis
50034225	1	ChEMBL_789985 (CHEMBL1924167)	Inhibition of human ERG
50034225	2	ChEMBL_789986 (CHEMBL1924168)	Reversible inhibition of CYP3A4
50034225	3	ChEMBL_789821 (CHEMBL1925082)	Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of buffer at pH 7.4
50034225	4	ChEMBL_789822 (CHEMBL1925083)	Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins before substrate addition measured after 1 hrs by Q-FRET assay
50034225	5	ChEMBL_789984 (CHEMBL1924166)	Inhibition of CYP3A4
50049092	1	ChEMBL_1652638 (CHEMBL4001893)	Inhibition of rat ASCT2 expressed in HEK293 cells assessed as inhibition of L-alanine/Na+ exchange by measuring reduction in SCN anion inward current in presence of NaCl and NaSCN by whole cell patch-clamp method
50049093	1	ChEMBL_1652652 (CHEMBL4001907)	Inhibition of Axl (unknown origin)
50034227	2	ChEMBL_790228 (CHEMBL1925621)	Antagonist activity at P2X7 receptor in rat whole blood
50034228	1	ChEMBL_790253 (CHEMBL1925646)	Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay
50034228	2	ChEMBL_790254 (CHEMBL1925647)	Agonist activity at human GRLN receptor expressed in HEK293 cells assessed as calcium binding by Ca2+ bioluminescence aequorin assay
50034228	3	ChEMBL_790266 (CHEMBL1925701)	Inhibition of human CYP3A4
50034228	4	ChEMBL_790267 (CHEMBL1925702)	Inhibition of human CYP2D6
50034228	5	ChEMBL_790268 (CHEMBL1925703)	Inhibition of human CYP2C9
50034228	6	ChEMBL_790269 (CHEMBL1925704)	Inhibition of human CYP2C19
50034228	7	ChEMBL_790270 (CHEMBL1925705)	Inhibition of human CYP1A2
50034229	1	ChEMBL_794256 (CHEMBL1932081)	Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay
50034229	2	ChEMBL_794257 (CHEMBL1932082)	Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay
50034230	2	ChEMBL_794283 (CHEMBL1932156)	Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50034231	1	ChEMBL_794312 (CHEMBL1932234)	Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneuraminic acid substrate by fluorimetric assay
50034232	1	ChEMBL_794329 (CHEMBL1932251)	Inhibition of human topoisomerase 1-mediated relation of supercoiled DNA after 45 mins
50034232	2	ChEMBL_794336 (CHEMBL1932258)	Inhibition of human topoisomerase 2-mediated relation of supercoiled DNA after 60 mins
50034233	1	ChEMBL_794350 (CHEMBL1932272)	Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured after 70 mins by liquid scintillation counter
50034233	2	ChEMBL_794348 (CHEMBL1932270)	Inhibition of ABL1
50034233	3	ChEMBL_794349 (CHEMBL1932271)	Inhibition of ABL2
50034233	4	ChEMBL_794357 (CHEMBL1932322)	Inhibition of AKT1
50034233	5	ChEMBL_794358 (CHEMBL1932323)	Inhibition of AKT2
50034233	6	ChEMBL_794359 (CHEMBL1932324)	Inhibition of AKT3
50034233	7	ChEMBL_794360 (CHEMBL1932325)	Inhibition of ALK
50034233	8	ChEMBL_794361 (CHEMBL1932326)	Inhibition of ALK4
50034233	9	ChEMBL_794362 (CHEMBL1932327)	Inhibition of ARK5
50034233	10	ChEMBL_794363 (CHEMBL1932328)	Inhibition of ASK1
50034233	11	ChEMBL_794364 (CHEMBL1932329)	Inhibition of aurora A
50034233	12	ChEMBL_794365 (CHEMBL1932330)	Inhibition of AXL
50034233	13	ChEMBL_794366 (CHEMBL1932331)	Inhibition of BLK
50034233	14	ChEMBL_794367 (CHEMBL1932332)	Inhibition of BMX
50034233	15	ChEMBL_794369 (CHEMBL1932334)	Inhibition of BRK
50034233	17	ChEMBL_793958 (CHEMBL1931550)	Inhibition of PLK3
50034233	18	ChEMBL_793959 (CHEMBL1931551)	Inhibition of PRKX
50034233	19	ChEMBL_793960 (CHEMBL1931552)	Inhibition of PYK2
50034233	20	ChEMBL_793961 (CHEMBL1931553)	Inhibition of RET
50034233	21	ChEMBL_793962 (CHEMBL1931554)	Inhibition of RIPK2
50034233	22	ChEMBL_793963 (CHEMBL1931555)	Inhibition of ROCK-1
50034233	25	ChEMBL_793966 (CHEMBL1931558)	Inhibition of ROS
50034233	26	ChEMBL_793967 (CHEMBL1931559)	Inhibition of RSK1
50034233	27	ChEMBL_793968 (CHEMBL1931560)	Inhibition of SGK1
50034233	28	ChEMBL_793969 (CHEMBL1931561)	Inhibition of STK33
50034233	29	ChEMBL_793970 (CHEMBL1931562)	Inhibition of SYK
50034233	31	ChEMBL_793972 (CHEMBL1931564)	Inhibition of TBK1
50034233	32	ChEMBL_793973 (CHEMBL1931565)	Inhibition of TIE2
50034233	33	ChEMBL_793974 (CHEMBL1931566)	Inhibition of TRKA
50034233	34	ChEMBL_793975 (CHEMBL1931567)	Inhibition of TRKB
50034233	35	ChEMBL_793976 (CHEMBL1931568)	Inhibition of TSSK2
50034233	36	ChEMBL_793977 (CHEMBL1931569)	Inhibition of WNK2
50034233	37	ChEMBL_793978 (CHEMBL1931570)	Inhibition of YES
50034233	38	ChEMBL_793979 (CHEMBL1931571)	Inhibition of ZAP70
50034233	39	ChEMBL_793980 (CHEMBL1931572)	Inhibition of ZIPK
50034233	40	ChEMBL_793874 (CHEMBL1932847)	Inhibition of EPHB1
50034233	41	ChEMBL_793875 (CHEMBL1932848)	Inhibition of EPHB2
50034233	42	ChEMBL_793876 (CHEMBL1932849)	Inhibition of EPHB3
50034233	43	ChEMBL_793877 (CHEMBL1932850)	Inhibition of EPHB4
50034233	44	ChEMBL_793878 (CHEMBL1932851)	Inhibition of ERBB4
50034233	45	ChEMBL_793879 (CHEMBL1932852)	Inhibition of ERK1
50034233	46	ChEMBL_793880 (CHEMBL1932853)	Inhibition of ERK2
50034233	47	ChEMBL_793881 (CHEMBL1932854)	Inhibition of FAK
50034233	48	ChEMBL_793882 (CHEMBL1932855)	Inhibition of FER
50034233	49	ChEMBL_793883 (CHEMBL1932856)	Inhibition of FES
50034233	50	ChEMBL_793884 (CHEMBL1932857)	Inhibition of FGFR1
50034233	51	ChEMBL_793885 (CHEMBL1932858)	Inhibition of FGFR2
50034233	52	ChEMBL_793886 (CHEMBL1932859)	Inhibition of FGFR3
50034233	53	ChEMBL_793887 (CHEMBL1932860)	Inhibition of FGFR4
50034233	54	ChEMBL_793888 (CHEMBL1932861)	Inhibition of FGR
50034233	55	ChEMBL_793889 (CHEMBL1932862)	Inhibition of FLT1
50034233	56	ChEMBL_793890 (CHEMBL1932863)	Inhibition of FLT3
50049093	2	ChEMBL_1652653 (CHEMBL4001908)	Inhibition of Axl (unknown origin) phosphorylation expressed in HEK293 cells by ELISA
50034233	58	ChEMBL_793892 (CHEMBL1932865)	Inhibition of FMS
50034233	59	ChEMBL_793893 (CHEMBL1932866)	Inhibition of FYN
50034233	60	ChEMBL_793894 (CHEMBL1932867)	Inhibition of GRK5
50034233	61	ChEMBL_793895 (CHEMBL1932868)	Inhibition of GRK6
50034233	62	ChEMBL_793896 (CHEMBL1932869)	Inhibition of GSK3-beta
50034233	63	ChEMBL_793897 (CHEMBL1932870)	Inhibition of HCK
50034233	64	ChEMBL_793898 (CHEMBL1932871)	Inhibition of HIPK1
50034233	65	ChEMBL_793899 (CHEMBL1932872)	Inhibition of HIPK3
50034233	66	ChEMBL_793900 (CHEMBL1932873)	Inhibition of IGF-1R
50034233	67	ChEMBL_793901 (CHEMBL1932874)	Inhibition of IKK-beta
50034233	69	ChEMBL_793903 (CHEMBL1932876)	Inhibition of IRAK1
50034233	70	ChEMBL_793904 (CHEMBL1932877)	Inhibition of IRAK4
50034233	71	ChEMBL_793905 (CHEMBL1932878)	Inhibition of IRR
50034233	72	ChEMBL_793906 (CHEMBL1932879)	Inhibition of JAK2
50034233	73	ChEMBL_793907 (CHEMBL1932880)	Inhibition of JAK3
50034233	74	ChEMBL_793908 (CHEMBL1932881)	Inhibition of JNK1alpha1
50034233	75	ChEMBL_793909 (CHEMBL1932882)	Inhibition of JNK2alpha2
50034233	76	ChEMBL_793910 (CHEMBL1932883)	Inhibition of JNK3
50034233	77	ChEMBL_793911 (CHEMBL1932884)	Inhibition of KDR
50034233	78	ChEMBL_793912 (CHEMBL1932885)	Inhibition of LCK
50034233	79	ChEMBL_793913 (CHEMBL1932886)	Inhibition of LYN
50034233	80	ChEMBL_793914 (CHEMBL1932887)	Inhibition of MAPKAPK2
50034233	81	ChEMBL_793915 (CHEMBL1932888)	Inhibition of MAPKAPK3
50034233	82	ChEMBL_793916 (CHEMBL1932889)	Inhibition of MAPKAPK5
50034233	83	ChEMBL_793917 (CHEMBL1932890)	Inhibition of MARK1
50034233	84	ChEMBL_793918 (CHEMBL1931510)	Inhibition of MARK2/PAR-1Balpha
50034233	86	ChEMBL_793920 (CHEMBL1931512)	Inhibition of MLK1
50034233	87	ChEMBL_793921 (CHEMBL1931513)	Inhibition of MSK1
50034233	88	ChEMBL_793922 (CHEMBL1931514)	Inhibition of MSK2
50034233	89	ChEMBL_793923 (CHEMBL1931515)	Inhibition of MST1
50034233	90	ChEMBL_793924 (CHEMBL1931516)	Inhibition of MST2
50034233	91	ChEMBL_793925 (CHEMBL1931517)	Inhibition of NEK3
50034233	92	ChEMBL_793926 (CHEMBL1931518)	Inhibition of NLK
50034233	93	ChEMBL_793927 (CHEMBL1931519)	Inhibition of P38alpha
50034233	94	ChEMBL_793928 (CHEMBL1931520)	Inhibition of P38beta2
50034233	95	ChEMBL_793929 (CHEMBL1931521)	Inhibition of P38delta
50034233	96	ChEMBL_793930 (CHEMBL1931522)	Inhibition of P38gamma
50034233	97	ChEMBL_793931 (CHEMBL1931523)	Inhibition of p70S6K
50034233	98	ChEMBL_793932 (CHEMBL1931524)	Inhibition of PAK2
50034233	99	ChEMBL_793933 (CHEMBL1931525)	Inhibition of PAK3
50034233	100	ChEMBL_793934 (CHEMBL1931526)	Inhibition of PAK4
50034233	101	ChEMBL_793935 (CHEMBL1931527)	Inhibition of PAK5
50034233	102	ChEMBL_793936 (CHEMBL1931528)	Inhibition of PAK6
50034233	103	ChEMBL_793937 (CHEMBL1931529)	Inhibition of PASK
50034233	104	ChEMBL_793938 (CHEMBL1931530)	Inhibition of PDGFRalpha
50034233	105	ChEMBL_793939 (CHEMBL1931531)	Inhibition of PDGFRbeta
50034233	106	ChEMBL_793940 (CHEMBL1931532)	Inhibition of PDK1
50034233	107	ChEMBL_793941 (CHEMBL1931533)	Inhibition of PHKgamma2
50034233	108	ChEMBL_793942 (CHEMBL1931534)	Inhibition of PIM1
50034233	109	ChEMBL_793943 (CHEMBL1931535)	Inhibition of PIM2
50034233	112	ChEMBL_793946 (CHEMBL1931538)	Inhibition of PKCbeta1
50034233	113	ChEMBL_793948 (CHEMBL1931540)	Inhibition of PKCdelta
50034233	114	ChEMBL_793949 (CHEMBL1931541)	Inhibition of PKCgamma
50049094	1	ChEMBL_1652668 (CHEMBL4001923)	Inhibition of biotinylated Bim peptide binding to His-tagged Bcl-2 (unknown origin) preincubated for 1 hr followed by biotinylated Bim peptide addition measured after 2 hrs by ELISA
50034233	116	ChEMBL_793951 (CHEMBL1931543)	Inhibition of PKCmu
50034233	117	ChEMBL_793952 (CHEMBL1931544)	Inhibition of PKCtheta
50034233	118	ChEMBL_793953 (CHEMBL1931545)	Inhibition of PKD2
50034233	121	ChEMBL_793956 (CHEMBL1931548)	Inhibition of PLK1
50034233	122	ChEMBL_793957 (CHEMBL1931549)	Inhibition of PLK2
50034233	123	ChEMBL_794356 (CHEMBL1932321)	Inhibition of CYP3A4
50034233	124	ChEMBL_794371 (CHEMBL1932336)	Inhibition of BTK
50049095	1	ChEMBL_1652675 (CHEMBL4001930)	Inhibition of recombinant human His-tagged AXL expressed in insect cells after 60 mins by Z'-LYTE assay
50034233	126	ChEMBL_793849 (CHEMBL1932822)	Inhibition of CAMK2delta
50034233	130	ChEMBL_793857 (CHEMBL1932830)	Inhibition of CHK2
50034233	131	ChEMBL_793858 (CHEMBL1932831)	Inhibition of CK1
50034233	132	ChEMBL_793859 (CHEMBL1932832)	Inhibition of CK2alpha
50034233	133	ChEMBL_793861 (CHEMBL1932834)	Inhibition of c-MET
50034233	134	ChEMBL_793863 (CHEMBL1932836)	Inhibition of CSK
50034233	135	ChEMBL_793864 (CHEMBL1932837)	Inhibition of c-SRC
50034233	136	ChEMBL_793865 (CHEMBL1932838)	Inhibition of DAPK1
50034233	137	ChEMBL_793866 (CHEMBL1932839)	Inhibition of DDR2
50034233	139	ChEMBL_793868 (CHEMBL1932841)	Inhibition of EGFR
50034233	140	ChEMBL_793869 (CHEMBL1932842)	Inhibition of EPHA1
50034233	141	ChEMBL_793870 (CHEMBL1932843)	Inhibition of EPHA2
50034233	142	ChEMBL_793871 (CHEMBL1932844)	Inhibition of EPHA3
50034233	143	ChEMBL_793872 (CHEMBL1932845)	Inhibition of EPHA4
50034233	144	ChEMBL_793873 (CHEMBL1932846)	Inhibition of EPHA5
50034234	1	ChEMBL_793019 (CHEMBL1932585)	Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR by scintillation counting
50034234	2	ChEMBL_792970 (CHEMBL1932488)	Agonist activity at rat VDR in ROS 17/2.8 cells transfected with Cyp24a1 reporter plasmid assessed as increase in Cyp24a1 transcription after 16 hrs by luciferase reporter gene assay
50034235	1	ChEMBL_793021 (CHEMBL1932587)	Agonist activity at mouse FXR expressed in HEK293 cells co-expressing mouse RXRalpha and ECRE-luc by luciferase reporter gene assay
50034236	1	ChEMBL_793024 (CHEMBL1932590)	Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence assay
50034236	2	ChEMBL_793025 (CHEMBL1932591)	Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence assay
50034236	3	ChEMBL_793026 (CHEMBL1932592)	Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence assay
50034236	4	ChEMBL_793027 (CHEMBL1932593)	Inhibition of DPP-2 expressed in human Caco-2 cells using H-Lys-Ala-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence assay
50034236	6	ChEMBL_793117 (CHEMBL1932776)	Inhibition of CYP3A4
50034236	7	ChEMBL_793118 (CHEMBL1932777)	Inhibition of CYP2C19
50034236	8	ChEMBL_793119 (CHEMBL1932778)	Inhibition of CYP2C9
50034236	9	ChEMBL_793120 (CHEMBL1932779)	Inhibition of CYP1A2
50034236	10	ChEMBL_793121 (CHEMBL1932780)	Inhibition of CYP2D6
50034236	11	ChEMBL_793127 (CHEMBL1932786)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50034237	1	ChEMBL_793266 (CHEMBL1931715)	Antagonist activity at histamine H4 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamine-induced cAMP accumulation after 5 hrs by luciferase reporter gene assay
50034237	5	ChEMBL_793260 (CHEMBL1931709)	Antagonist activity at histamine H3 receptor expressed in HEK293 cells co-transfected with pCRE-Luc gene assessed as inhibition of forskolin/histamine-induced cAMP accumulation after 5 hrs by luciferase reporter gene assay
50034237	6	ChEMBL_793257 (CHEMBL1931706)	Inhibition of AChE
50034238	1	ChEMBL_793318 (CHEMBL1931821)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method
50034238	2	ChEMBL_793334 (CHEMBL1931837)	Non-competitive inhibition of rat liver mitochondrial MAO-B using phenylethylamine as substrate by Line-Weaver Burk plot analysis
50034238	3	ChEMBL_793326 (CHEMBL1931829)	Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting
50034238	4	ChEMBL_793325 (CHEMBL1931828)	Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting
50034238	5	ChEMBL_793324 (CHEMBL1931827)	Mixed type inhibition of Electrophorus electricus AchE using acetylthiocholine as substrate by Line-Weaver Burk plot analysis
50034238	6	ChEMBL_793323 (CHEMBL1931826)	Inhibition of human serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method
50034238	7	ChEMBL_793322 (CHEMBL1931825)	Inhibition of cerebral human recombinant AchE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method
50034238	8	ChEMBL_793319 (CHEMBL1931822)	Inhibition of equine serum BuchE using butyrylthiocholine iodide as substrate preincubated for 10 mins measured after 15 mins of substrate addition by Ellman's method
50034239	1	ChEMBL_793371 (CHEMBL1931925)	Inhibition of Mycobacterium tuberculosis FtsZ polymerization expressed in Escherichia coli by light scattering assay
50034240	1	ChEMBL_793383 (CHEMBL1931937)	Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley albinus rat frontal cortex membranes after 15 mins
50034240	2	ChEMBL_793382 (CHEMBL1931936)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins
50034240	3	ChEMBL_793387 (CHEMBL1931941)	Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins
50034240	4	ChEMBL_793386 (CHEMBL1931940)	Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hyphalamic membranes after 120 mins
50034240	5	ChEMBL_793384 (CHEMBL1931938)	Displacement of [3H]-LY278584 from 5HT3 receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 30 mins
50034240	6	ChEMBL_793385 (CHEMBL1931939)	Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting
50034240	7	ChEMBL_793417 (CHEMBL1932021)	Agonist activity at human 5HT1A receptor expressed in human HeLa cells assessed as inhibition of forskolin-stimulated cAMP production pretreated 20 mins before forskolin challenge measured after 2 hrs by RIA
50034241	1	ChEMBL_793464 (CHEMBL1932121)	Inhibition of human ERG by whole cell patch clamp assay
50034242	1	ChEMBL_792600 (CHEMBL1930241)	Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cells expressing HIV-1JRFL viral envolop protein after 20 hrs by beta-galactosidase reporter gene assay
50034242	2	ChEMBL_792666 (CHEMBL1930402)	Inhibition of human ERG
50034243	1	ChEMBL_792733 (CHEMBL1930560)	Inhibition of Wistar rat kidney ALR1 using D-glucuronate as substrate after 10 mins by UV/VIS double spectrophotometric analysis
50034244	1	ChEMBL_792734 (CHEMBL1930561)	Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay
50034244	2	ChEMBL_792735 (CHEMBL1930650)	Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader
50034244	3	ChEMBL_792737 (CHEMBL1930652)	Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting
50034244	4	ChEMBL_792738 (CHEMBL1930653)	Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay
50034244	5	ChEMBL_792739 (CHEMBL1930654)	Activation of rat TAAR1 expressed in Syrian hamster AV12-664 cells assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by luminescence method
50034244	6	ChEMBL_792740 (CHEMBL1930655)	Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting
50034244	7	ChEMBL_792741 (CHEMBL1930656)	Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins
50034244	8	ChEMBL_792743 (CHEMBL1930658)	Activation of human TAAR1 expressed in Syrian hamster AV12-664 cells co-expressing GalphaS protein assessed as accumulation of cAMP after 30 mins using cAMP XS EA/CL as substrate by luminescence method in presence of RX821002 and alprenolol
50034244	9	ChEMBL_792744 (CHEMBL1930659)	Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay
50034244	10	ChEMBL_792745 (CHEMBL1930660)	Inhibition of [3H]norepinephrine reuptake at human NET cloned in rat brain synaptosome by scintillation counting
50034244	11	ChEMBL_792746 (CHEMBL1930661)	Inhibition of [3H]dopamine reuptake at human DAT cloned in rat brain synaptosome by scintillation counting
50034244	12	ChEMBL_792747 (CHEMBL1930662)	Inhibition of [3H]5-HT uptake at human SERT cloned in rat brain synaptosome by scintillation counting
50034245	1	ChEMBL_792865 (CHEMBL1931050)	Inhibition of equine serum BuChE using acetylcholine as substrate preincubated for 15 mins by Ellman's method
50034245	2	ChEMBL_792862 (CHEMBL1931047)	Inhibition of electric eel AChE using acetylcholine chloride as substrate preincubated for 15 mins by Ellman's method
50034245	3	ChEMBL_792863 (CHEMBL1931048)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50034246	1	ChEMBL_792880 (CHEMBL1931065)	Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay
50034246	2	ChEMBL_793203 (CHEMBL1931598)	Inhibition of human recombinant CYP1A2 assessed as inhibition of fluorescent metabolite formation
50034246	3	ChEMBL_793204 (CHEMBL1931599)	Inhibition of human recombinant CYP2C9 by mass spectrophotometry
50034246	4	ChEMBL_793205 (CHEMBL1931600)	Inhibition of human recombinant CYP2C19 by mass spectrophotometry
50034246	5	ChEMBL_793206 (CHEMBL1931601)	Inhibition of human recombinant CYP2D6 by mass spectrophotometry
50034246	6	ChEMBL_793207 (CHEMBL1931602)	Inhibition of human recombinant CYP3A4 by mass spectrophotometry
50034246	7	ChEMBL_793208 (CHEMBL1931603)	Inhibition of xanthine oxidase assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay
50034246	8	ChEMBL_792877 (CHEMBL1931062)	Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay
50034246	9	ChEMBL_792878 (CHEMBL1931063)	Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay
50034246	10	ChEMBL_792879 (CHEMBL1931064)	Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay
50034247	1	ChEMBL_793274 (CHEMBL1931723)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp electrophysiology
50034247	2	ChEMBL_793275 (CHEMBL1931724)	Displacement of [3H]dofetilide from human ERG by liquid scintillation counting
50034248	1	ChEMBL_793353 (CHEMBL1931907)	Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting
50034248	2	ChEMBL_793354 (CHEMBL1931908)	Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting
50034249	1	ChEMBL_792620 (CHEMBL1930261)	Inhibition of thrombin
50034249	2	ChEMBL_792621 (CHEMBL1930262)	Inhibition of factor 10a
50034249	3	ChEMBL_792622 (CHEMBL1930263)	Inhibition of tissue kallikrein
50034249	4	ChEMBL_792623 (CHEMBL1930264)	Inhibition of plasma kallikrein
50034250	1	ChEMBL_792686 (CHEMBL1930422)	Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells co-transfected with Gal4 after 24 hrs by luciferase reporter gene assay
50034250	2	ChEMBL_792687 (CHEMBL1930423)	Agonist activity at human PPARgamma ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometric analysis
50034250	3	ChEMBL_792688 (CHEMBL1930515)	Agonist activity at human PPARdelta ligand binding domain expressed in COS-1 cells after 24 hrs by luciferase reporter gene-based luminometric analysis
50034251	1	ChEMBL_792693 (CHEMBL1930520)	Inhibition of human alpha-thrombin using sarcosine-Pro-Arg-p-nitroanilide as substrate preincubated for 5 mins before substrate addition measured after 10 mins by spectrophotometry
50034252	1	ChEMBL_792694 (CHEMBL1930521)	Inhibition of human recombinant MAOA using kynuramine as substrate by fluorescence assay
50034252	2	ChEMBL_792695 (CHEMBL1930522)	Inhibition of human recombinant MAOB using kynuramine as substrate by fluorescence assay
50034253	1	ChEMBL_792760 (CHEMBL1930675)	Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting
50034254	1	ChEMBL_793035 (CHEMBL1932601)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting
50034254	2	ChEMBL_793036 (CHEMBL1932602)	Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain cortex membranes after 1 hr
50034254	3	ChEMBL_793034 (CHEMBL1932600)	Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting
50034255	1	ChEMBL_793158 (CHEMBL1931472)	Agonist activity at rabbit EP4 receptor assessed as relaxation of Kcl-induced tissue contraction by isometric transducer method
50034256	1	ChEMBL_793243 (CHEMBL1931638)	Inhibition of human CYP3A4
50034256	2	ChEMBL_793244 (CHEMBL1931639)	Inhibition of human CYP2C9
50034256	3	ChEMBL_793245 (CHEMBL1931640)	Inhibition of human CYP2C19
50034256	4	ChEMBL_793246 (CHEMBL1931641)	Inhibition of human CYP2D6
50034256	5	ChEMBL_793295 (CHEMBL1931744)	Inhibition of human CYP1A2
50034257	1	ChEMBL_793311 (CHEMBL1931814)	Competitive inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli NM554 by coupled spectrophotometric assay
50034257	2	ChEMBL_793312 (CHEMBL1931815)	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis
50034257	3	ChEMBL_793313 (CHEMBL1931816)	Competitive inhibition of human TMPK by Lineweaver-Burk analysis
50034258	1	ChEMBL_792571 (CHEMBL1930115)	Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20 mins
50034259	1	ChEMBL_792720 (CHEMBL1930547)	Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by spectrofluorometry
50034260	1	ChEMBL_792776 (CHEMBL1930779)	Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk plot analysis
50034260	2	ChEMBL_792777 (CHEMBL1930780)	Noncompetitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50034260	3	ChEMBL_792781 (CHEMBL1930784)	Reversible inhibition of MAO-B
50034260	4	ChEMBL_792782 (CHEMBL1930785)	Competitive inhibition of human MAO-B
50034260	5	ChEMBL_792783 (CHEMBL1930786)	Competitive inhibition of human MAO-A
50034260	6	ChEMBL_792787 (CHEMBL1930790)	Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50034261	1	ChEMBL_792913 (CHEMBL1929759)	Displacement of [3H]progesterone from PR
50034261	2	ChEMBL_792918 (CHEMBL1929764)	Antagonist activity at human MR transfected in human COS1 cells after 1 day by luciferase reporter gene assay
50034261	3	ChEMBL_792910 (CHEMBL1929756)	Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation counting
50034261	4	ChEMBL_792911 (CHEMBL1929757)	Displacement of [3H]dexomethasone from GR
50034261	5	ChEMBL_792912 (CHEMBL1929758)	Displacement of [3H]testosterone from AR
50034262	1	ChEMBL_792141 (CHEMBL1930496)	Inhibition of Electrophorus electricus acetylcholinesterase preincubated for 15 mins by spectrophotometry
50034263	1	ChEMBL_792216 (CHEMBL1930743)	Binding affinity to sigma1 receptor in rat brain membranes
50034264	1	ChEMBL_792217 (CHEMBL1930744)	Inhibition of human dihydroorotate dehydrogenase
50034264	2	ChEMBL_792219 (CHEMBL1930746)	Inhibition of rat dihydroorotate dehydrogenase
50034265	1	ChEMBL_792228 (CHEMBL1930755)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1 whole extracellular domain after 3 hrs by chemiluminescence assay
50034265	2	ChEMBL_792229 (CHEMBL1930756)	Displacement of biotinylated VEGF165 from human recombinant VEGFR1 D1-D3 domain after 3 hrs by chemiluminescence assay
50034266	1	ChEMBL_791791 (CHEMBL1931369)	Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarboxylic acid methyl ester measured for 20 secs
50034267	1	ChEMBL_791978 (CHEMBL1930038)	Inhibition of human MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate pre-incubated for 4 hrs before substrate addition measured every 15 secs for 15 mins by fluorimetry
50034267	2	ChEMBL_791979 (CHEMBL1930039)	Inhibition of human MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate pre-incubated for 4 hrs before substrate addition measured every 15 secs for 15 mins by fluorimetry
50034267	3	ChEMBL_791980 (CHEMBL1930040)	Inhibition of human MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate pre-incubated for 4 hrs before substrate addition measured every 15 secs for 15 mins by fluorimetry
50034267	4	ChEMBL_791981 (CHEMBL1930041)	Inhibition of human MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate pre-incubated for 4 hrs before substrate addition measured every 15 secs for 15 mins by fluorimetry
50049096	1	ChEBML_1652681	Inhibition of USP7 (unknown origin) using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition and subsequent incubation in dark for 3 hrs by fluorescence assay
50034268	1	ChEMBL_792424 (CHEMBL1931382)	Inhibition of human thrombin using Boc-VPR-AMC as substrate compound preincubated for 15 mins before substrate addition measured up to 10 mins by spectrofluorimetry
50034269	1	ChEMBL_792520 (CHEMBL1929950)	Inhibition of PDE7A assessed as hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay
50034270	1	ChEMBL_791530 (CHEMBL1930583)	Inhibition of human recombinant CYP1A2
50034270	2	ChEMBL_791531 (CHEMBL1930584)	Inhibition of human recombinant CYP2C9
50034270	3	ChEMBL_791532 (CHEMBL1930585)	Inhibition of human recombinant CYP2C19
50034270	4	ChEMBL_791533 (CHEMBL1930586)	Inhibition of human recombinant CYP2D6
50034270	5	ChEMBL_791534 (CHEMBL1930587)	Inhibition of human recombinant CYP3A4
50034271	1	ChEMBL_791614 (CHEMBL1930838)	Displacement of [3H]spiperone from human D2 long receptor expressed in CHO cells
50034271	2	ChEMBL_791615 (CHEMBL1930839)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells
50034271	3	ChEMBL_791617 (CHEMBL1930841)	Displacement of [3H]SCH23390 from pig D1 receptor in striatal membrane
50034271	4	ChEMBL_791613 (CHEMBL1930837)	Displacement of [3H]spiperone from human D2 short receptor expressed in CHO cells
50034271	5	ChEMBL_791620 (CHEMBL1930844)	Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate
50034271	6	ChEMBL_791621 (CHEMBL1930845)	Binding affinity to D2 long receptor
50034271	7	ChEMBL_791622 (CHEMBL1930846)	Binding affinity to D2 short receptor
50034271	8	ChEMBL_791623 (CHEMBL1930847)	Binding affinity to D3 receptor
50034271	9	ChEMBL_791624 (CHEMBL1930848)	Binding affinity to D4 receptor
50049096	2	ChEMBL_1652681 (CHEMBL4001936)	Inhibition of USP7 (unknown origin) using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition and subsequent incubation in dark for 3 hrs by fluorescence assay
50049097	1	ChEMBL_1652687 (CHEMBL4001942)	Inhibition of recombinant human PTP1B catalytic domain expressed in Escherichia coli BL21-CodonPlus (DE3) using pNPP as substrate measured for 2 mins
50049097	2	ChEMBL_1652685 (CHEMBL4001940)	Inhibition of GST-tagged human TCPCP expressed in Escherichia coli using pNPP as substrate
50049097	3	ChEMBL_1652690 (CHEMBL4001945)	Inhibition of GST-tagged human SHP1 expressed in Escherichia coli using pNPP as substrate
50034273	1	ChEMBL_791991 (CHEMBL1930051)	Competitive inhibition of human CHK2 using ATP as substrate by DELFIA
50049098	1	ChEBML_1652698	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by fluorescence assay
50049098	2	ChEBML_1652698	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by fluorescence assay
50049098	3	ChEMBL_1652698 (CHEMBL4001953)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium bromide uptake after 2 hrs by fluorescence assay
50049099	1	ChEMBL_1652714 (CHEMBL4001969)	Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate by ADP-Glo luminescence assay
50049100	1	ChEMBL_1652997 (CHEMBL4002252)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid levels using xanthine as substrate after 120 mins by spectrophotometry
50049100	2	ChEMBL_1653000 (CHEMBL4002255)	Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor-substrate complex using xanthine as substrate after 60 secs by Lineweaver-Burk plot method
50049100	3	ChEMBL_1652999 (CHEMBL4002254)	Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex using xanthine as substrate after 60 secs by Lineweaver-Burk plot method
50049101	1	ChEMBL_1653005 (CHEMBL4002260)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay
50049101	2	ChEMBL_1653004 (CHEMBL4002259)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay
50034274	1	ChEMBL_792073 (CHEMBL1930231)	Inhibition of EGFR expressed in baculovirus infected Sf9 cells assessed as inhibition of autophosphorylation preincubated for 10 mins measured after 1 hr by DELFIA/Time-Resolved Fluorometry
50034275	1	ChEMBL_792077 (CHEMBL1930339)	Inhibition of mushroom tyrosinase hydroxylation activity using L-tyrosine as substrate after 30 mins by spectrophotometry
50034276	1	ChEMBL_792096 (CHEMBL1930358)	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate after 15 mins by scintillation counting
50034276	2	ChEMBL_792097 (CHEMBL1930359)	Inhibition of human CK2 alpha catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD substrate after 15 mins by scintillation counting
50034276	3	ChEMBL_792164 (CHEMBL1930611)	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BL21 (DE3) assessed as [33P]gamma-ATP incorporation into P2B substrate after 15 mins by scintillation counting
50034276	4	ChEMBL_792165 (CHEMBL1930612)	Inhibition of human CK2 alpha' catalytic subunit expressed in Escherichia coli BE21 (DE3) assessed as [33P]gamma-ATP incorporation into RRRADDSDDDDD substrate after 15 mins by scintillation counting
50034277	1	ChEMBL_792175 (CHEMBL1930622)	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse BV2 cells measured after 24 hrs of post-stimulation by Griess reaction method
50034278	1	ChEMBL_792182 (CHEMBL1930629)	Inhibition of 5-LOX
50034278	2	ChEMBL_792183 (CHEMBL1930630)	Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen electrode
50034279	1	ChEMBL_792378 (CHEMBL1931161)	Inhibition of recombinant His6-tagged EGFR expressed in baculovirus infected insect Sf9 cells using ATP as substrate and cofactor MgCl2 after 2 hrs by DELFIA/Time-resolved fluorometric analysis
50034280	1	ChEMBL_791244 (CHEMBL1929731)	Inhibition of ovine COX1 assessed as PGF2alpha production by enzyme immunoassay
50034280	2	ChEMBL_791246 (CHEMBL1929733)	Inhibition of soybean LOX type 1 pre-incubated for 4 mins at 7x10'-7 w/v concentration assessed as inhibition of sodium linoleate to 13-hydroperoxylinoleic acid
50034280	3	ChEMBL_791243 (CHEMBL1929730)	Inhibition of human recombinant COX-2 assessed as PGF2alpha production by enzyme immunoassay
50034281	1	ChEMBL_791250 (CHEMBL1929737)	Inhibition of human PPO by capillary electrophoresis method
50034281	2	ChEMBL_791251 (CHEMBL1929738)	Inhibition of Nicotiana tobacum PPO
50034281	3	ChEMBL_791252 (CHEMBL1929739)	Inhibition of human PPO expressed in Escherichia coli BL21(DE3) by continuous fluorometric method
50034282	1	ChEMBL_791368 (CHEMBL1930139)	Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting
50034282	2	ChEMBL_791367 (CHEMBL1930138)	Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting
50034282	3	ChEMBL_791366 (CHEMBL1930137)	Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in presence of 5-HT2A blocker, spiperone
50034282	4	ChEMBL_791369 (CHEMBL1930140)	Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting
50034282	5	ChEMBL_791370 (CHEMBL1930141)	Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting
50034283	1	ChEMBL_792193 (CHEMBL1930640)	Inhibition of his-tagged EPHA4-mediated poly(Glu,Tyr) phosphorylation after 75 mins using E4:Y1 as substrate by fluorescence assay
50034284	1	ChEMBL_792465 (CHEMBL1929795)	Inhibition of human SphK1 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay
50034284	2	ChEMBL_792466 (CHEMBL1929796)	Inhibition of mouse SphK2 expressed in baculovirus infected Sf9 insect cells using sphingosine and [gamma-(32)P]-ATP by scintillation proximity assay
50034284	3	ChEMBL_792473 (CHEMBL1929803)	Inhibition of SphK2
50034285	1	ChEMBL_791066 (CHEMBL1931179)	Inhibition of Met-mediated scattering in HGF-stimulated human MDCK cells pre-incubated overnight prior to HGF stimulation for 24 hrs measured after 24 to 48 hrs
50034285	2	ChEMBL_791075 (CHEMBL1931188)	Inhibition of Met-mediated tumorigenesis in HGF-stimulated human HepG2 cells assessed as impairment in anchorage-independent growth by soft agar growth assay
50034285	3	ChEMBL_791160 (CHEMBL1929610)	Inhibition of Met-mediated tumorigenesis in HGF-stimulated human GTL16 cells assessed as impairment in anchorage-independent growth by soft agar growth assay
50034285	4	ChEMBL_791180 (CHEMBL1929630)	Inhibition of TPR-fused MET-mediated mouse BA/F3 cell proliferation after 48 hrs by cell titre blue based spectrophotometry
50034286	1	ChEMBL_791391 (CHEMBL1930162)	Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reagent method
50034287	1	ChEMBL_791472 (CHEMBL1930436)	Inhibition of human 11beta-HSD1 expressed in human HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50034287	2	ChEMBL_791473 (CHEMBL1930437)	Inhibition of mouse 11beta-HSD1 expressed in human HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50034287	3	ChEMBL_791474 (CHEMBL1930438)	Inhibition of human 11beta-HSD2 expressed in human HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50034288	1	ChEMBL_791584 (CHEMBL1930721)	Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting
50034288	2	ChEMBL_791586 (CHEMBL1930723)	Inhibition of Erbb2 using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting
50034288	3	ChEMBL_793608 (CHEMBL1932376)	Inhibition of VEGFR2 using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting
50034288	4	ChEMBL_793611 (CHEMBL1932379)	Inhibition of EGFR autophosphorylation in EGF-stimulated human A431 cells after 1 hr by immunoblotting
50034289	1	ChEMBL_793658 (CHEMBL1932426)	Agonist activity at human adrenoceptor alpha2A expressed in CHOK1 cells assessed as stimulation of agonist-induced [35S]GTPgammaS binding by scintillation counting
50034289	2	ChEMBL_793655 (CHEMBL1932423)	Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by scintillation counting
50034290	1	ChEMBL_793700 (CHEMBL1932514)	Inhibition of COX-2 in C57BL/6 mouse brain homogenate
50034290	2	ChEMBL_793699 (CHEMBL1932513)	Inhibition of COX-1 in C57BL/6 mouse brain homogenate
50034290	3	ChEMBL_793705 (CHEMBL1932519)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells
50034290	4	ChEMBL_793706 (CHEMBL1932520)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells
50034291	1	ChEMBL_793722 (CHEMBL1932536)	Inhibition of PI3K p110gamma
50034291	2	ChEMBL_793723 (CHEMBL1932537)	Inhibition of mTOR
50034291	3	ChEMBL_793712 (CHEMBL1932526)	Inhibition of recombinant PI3K p110alpha using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034291	4	ChEMBL_793713 (CHEMBL1932527)	Inhibition of recombinant PI3K p110beta using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034291	5	ChEMBL_793714 (CHEMBL1932528)	Inhibition of recombinant PI3K p110delta using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034292	1	ChEMBL_793747 (CHEMBL1932608)	Inhibition of recombinant PI3K p110alpha using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034292	2	ChEMBL_793748 (CHEMBL1932609)	Inhibition of recombinant PI3K p110beta using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034292	3	ChEMBL_793749 (CHEMBL1932610)	Inhibition of recombinant PI3K p110delta using L-alpha-phosphatidylinositol as substrate and [gamma33P]ATP after 60 mins by thin layer chromatographic technique
50034292	4	ChEMBL_793757 (CHEMBL1932618)	Inhibition of PI3K p110gamma
50034292	5	ChEMBL_793784 (CHEMBL1932645)	Inhibition of mTOR
50034293	1	ChEMBL_793788 (CHEMBL1932649)	Displacement of [3H]glycine from Wistar rat brain GlyT2 after 10 mins by scintillation counting
50049101	3	ChEMBL_1653006 (CHEMBL4002261)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay
50034294	1	ChEMBL_793806 (CHEMBL1932721)	Inhibition of human HGPRT
50034295	1	ChEMBL_793832 (CHEMBL1932747)	Inhibition of human EGFR preincubated 2 hrs prior addition of ATP by HTRF assay
50034295	2	ChEMBL_793833 (CHEMBL1932748)	Inhibition of human ErbB2 preincubated for 2 hrs prior addition of ATP by HTRF assay
50034296	2	ChEMBL_793539 (CHEMBL1932290)	Displacement of [3H]DAMGO from mu opioid receptor in rat cerebrum membranes
50034296	3	ChEMBL_793540 (CHEMBL1932291)	Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes
50049101	4	ChEMBL_1653007 (CHEMBL4002262)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay
50034296	5	ChEMBL_793542 (CHEMBL1932293)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum
50034296	6	ChEMBL_793543 (CHEMBL1932294)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum
50034296	7	ChEMBL_793541 (CHEMBL1932292)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum membranes
50034297	1	ChEMBL_793559 (CHEMBL1932310)	Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counter
50034297	2	ChEMBL_793560 (CHEMBL1932311)	Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counter
50034297	3	ChEMBL_793561 (CHEMBL1932312)	Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP production after 10 mins by radioimmunoassay
50034297	4	ChEMBL_793557 (CHEMBL1932308)	Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counter
50034297	5	ChEMBL_793558 (CHEMBL1932309)	Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counter
50034298	1	ChEMBL_793571 (CHEMBL1932339)	Inhibition of EGFR tyrosine kinase activity in EGF-stimulated human A431 cells after 60 mins by ELISA
50034298	2	ChEMBL_793572 (CHEMBL1932340)	Inhibition of VEGFR2 tyrosine kinase activity in VEGF-stimulated human U251 cells after 60 mins by ELISA
50034298	3	ChEMBL_793573 (CHEMBL1932341)	Inhibition of VEGFR1 tyrosine kinase activity in VEGF-stimulated human A498 cells after 60 mins by ELISA
50034298	4	ChEMBL_793574 (CHEMBL1932342)	Inhibition of PDGFRbeta tyrosine kinase activity in PDGF-BB-stimulated human SF-539 cells after 60 mins by ELISA
50034299	1	ChEMBL_794131 (CHEMBL1931869)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting
50034299	2	ChEMBL_794133 (CHEMBL1931871)	Displacement of [I125]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting
50034299	3	ChEMBL_794134 (CHEMBL1931872)	Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50034299	4	ChEMBL_794129 (CHEMBL1931867)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting
50034301	1	ChEMBL_794160 (CHEMBL1931945)	Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric analysis
50034302	1	ChEMBL_794210 (CHEMBL1932035)	Inhibition of human microsomal 17beta-HSD2 in cell-free system using [2,4,6,7-3H]E2 as substrate after 20 mins by radioflow detector
50034303	1	ChEMBL_794216 (CHEMBL1932041)	Antagonist activity at rat TRPV1 expressed in Xenopus laevis oocytes assessed as blockage of capsaicin-induced current at holding potential -60 mV by two-microelectrode voltage -clamp amplifier
50034304	1	ChEMBL_796394 (CHEMBL1937709)	Inhibition of bovine kidney alpha-L-fucosidase
50034304	2	ChEMBL_796392 (CHEMBL1937707)	Inhibition of bovine liver beta-galactosidase
50034304	3	ChEMBL_796390 (CHEMBL1937705)	Inhibition of bovine liver beta-glucosidase
50034304	4	ChEMBL_796387 (CHEMBL1937702)	Inhibition of rice alpha-glucosidase
50034304	5	ChEMBL_796388 (CHEMBL1937703)	Inhibition of yeast alpha-glucosidase
50034305	1	ChEMBL_796412 (CHEMBL1937727)	Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting
50034305	2	ChEMBL_796415 (CHEMBL1937730)	Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting
50034305	3	ChEMBL_796416 (CHEMBL1937731)	Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting
50034305	4	ChEMBL_796477 (CHEMBL1937792)	Displacement of [3H]-SR-27897 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting
50034305	5	ChEMBL_796485 (CHEMBL1937800)	Displacement of [125I]-BH-JMV-179 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting
50034306	1	ChEMBL_796596 (CHEMBL1937911)	Inhibition of recombinant Staphylococcus aureus NCTC 8325 peptidase activity of clpP expressed in Escherichia coli BL21 after 10 mins using SLY-AMC as substrate by fluorescence assay
50049102	1	ChEMBL_1653052 (CHEMBL4002307)	Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid scintillation counting method
50049102	2	ChEMBL_1653051 (CHEMBL4002306)	Inhibition of human prostate 5-alpha reductase 2 assessed as decrease in conversion of testosterone to dihydrotestosterone by chromatographic method
50049103	1	ChEBML_1653071	Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition measured after 1 hr by liquid scintillation counting method
50034307	3	ChEMBL_795814 (CHEMBL1937075)	Inhibition of human LRRK2
50034307	4	ChEMBL_795815 (CHEMBL1937076)	Inhibition of human PRKD1
50034307	6	ChEMBL_795817 (CHEMBL1937078)	Inhibition of human PRKD3
50034307	7	ChEMBL_795818 (CHEMBL1937079)	Inhibition of human RET
50034307	8	ChEMBL_795819 (CHEMBL1937080)	Inhibition of human CLK1
50034307	9	ChEMBL_795820 (CHEMBL1937081)	Inhibition of human CLK2
50034307	10	ChEMBL_795821 (CHEMBL1937082)	Inhibition of human FGFR2
50034307	11	ChEMBL_795822 (CHEMBL1937083)	Inhibition of human PDGFRa
50034307	12	ChEMBL_795823 (CHEMBL1937084)	Inhibition of human FLT3
50034308	1	ChEMBL_795885 (CHEMBL1936449)	Inhibition of ACAT1- mediated cholesteryl ester synthesis in macrophages
50034309	1	ChEMBL_795889 (CHEMBL1936453)	Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay
50034310	1	ChEMBL_795893 (CHEMBL1936457)	Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorometric assay
50034311	1	ChEMBL_795989 (CHEMBL1936261)	Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysis
50034312	1	ChEMBL_795993 (CHEMBL1936265)	Inhibition of Bacillus anthracis lethal factor using MCA-KKVYPYPME[dnp]Kamide peptide substrate after 30 mins by FRET assay
50034312	2	ChEMBL_795995 (CHEMBL1936267)	Inhibition of Clostridium botulinum BoNT/B light chain after 40 mins by FRET-based assay
50034312	3	ChEMBL_795996 (CHEMBL1936268)	Inhibition of human MMP1
50034312	4	ChEMBL_795997 (CHEMBL1936269)	Inhibition of human MMP2
50034312	6	ChEMBL_795990 (CHEMBL1936262)	Inhibition of Clostridium botulinum botulinum neurotoxin type A light chain
50049103	4	ChEMBL_1653072 (CHEMBL4002327)	Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by compound washout for 2 hrs and subsequent addition of [125I]-CRF measured after 1 hr by liquid scintillation counting method
50049103	5	ChEMBL_1653060 (CHEMBL4002315)	Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes after 1.5 hrs by liquid scintillation counting method
50049103	3	ChEMBL_1653071 (CHEMBL4002326)	Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition measured after 1 hr by liquid scintillation counting method
50034313	1	ChEMBL_796244 (CHEMBL1937559)	Inhibition of Bacillus subtilis MraY using radiolabeled UDP-MurNAc-[14C]pentapeptide as substrate after 30 mins
50034313	2	ChEMBL_796245 (CHEMBL1937560)	Inhibition of Thermotoga maritima WecA using radiolabeled UDP-[14C]GlcNAc as substrate after 30 mins
50034313	3	ChEMBL_796246 (CHEMBL1937561)	Competitive inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate after 30 mins by Lineweaver-Burk plot
50034313	4	ChEMBL_796247 (CHEMBL1937562)	Noncompetitive inhibition of Bacillus subtilis MraY using radiolabeled UDP-GlcNAc as substrate after 30 mins by Lineweaver-Burk plot
50034314	1	ChEMBL_796432 (CHEMBL1937747)	Antagonist activity at rabbit B1 bradykinin receptor expressed in CHO cells
50034314	2	ChEMBL_796433 (CHEMBL1937748)	Binding affinity to human B1 bradykinin receptor
50034314	3	ChEMBL_796434 (CHEMBL1937749)	Antagonist activity at human B1 bradykinin receptor expressed in CHO cells by aqueorin-based calcium flux assay
50034315	1	ChEMBL_796602 (CHEMBL1937917)	Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay
50034315	2	ChEMBL_796526 (CHEMBL1937841)	Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by reporter gene assay
50034315	3	ChEMBL_796524 (CHEMBL1937839)	Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs
50034316	1	ChEMBL_796787 (CHEMBL1938102)	Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 mins by scintillation counting
50034316	2	ChEMBL_796788 (CHEMBL1938103)	Inhibition of human recombinant His-tagged PCAF HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 mins by scintillation counting
50034316	3	ChEMBL_796789 (CHEMBL1938104)	Inhibition of human recombinant His-tagged p300 HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 mins by scintillation counting
50034316	4	ChEMBL_796800 (CHEMBL1938115)	Inhibition of human MOF expressed in Escherichia coli BL21(DE3) cells using [14C]AC-CoA and histone H4 as substrate after 5 mins by scintillation counting
50034317	1	ChEMBL_795514 (CHEMBL1935837)	Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutininin activity in chicken erythrocytes after 1 hr
50034317	2	ChEMBL_795513 (CHEMBL1935836)	Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutininin activity in chicken erythrocytes after 1 hr
50034317	3	ChEMBL_795431 (CHEMBL1937380)	Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry
50034317	4	ChEMBL_795432 (CHEMBL1937381)	Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry
50034318	1	ChEMBL_795519 (CHEMBL1935842)	Inhibition of VEGFR2
50034318	2	ChEMBL_795520 (CHEMBL1935843)	Inhibition of PDGFRbeta
50034318	3	ChEMBL_795521 (CHEMBL1935844)	Inhibition of Aurora A
50034318	5	ChEMBL_795523 (CHEMBL1935846)	Inhibition of Lck
50034318	7	ChEMBL_795532 (CHEMBL1935855)	Inhibition of EGFR phosphorylation in EGF-stimulated human A431 after 2 hrs by Western blot analysis
50034318	8	ChEMBL_795516 (CHEMBL1935839)	Inhibition of Her-2 by time-resolved fluorescence assay
50034319	1	ChEMBL_795615 (CHEMBL1936045)	Antagonist activity at progesterone receptor
50034319	2	ChEMBL_795613 (CHEMBL1936043)	Antagonist activity at human recombinant CRF1 receptor expressed in CHO cells by cAMP assay
50034320	1	ChEMBL_795618 (CHEMBL1936048)	Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substrate addition measured for 2 mins by Dixon plot analysis
50034321	1	ChEMBL_795918 (CHEMBL1936791)	Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by spectrophotometric analysis
50034321	2	ChEMBL_795919 (CHEMBL1936792)	Inhibition of IDO1 by magnetic circular dichroism spectroscopic analysis
50034321	3	ChEMBL_795920 (CHEMBL1936793)	Inhibition of IDO1
50034321	4	ChEMBL_795921 (CHEMBL1936794)	Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by HPLC analysis
50034321	5	ChEMBL_795922 (CHEMBL1936795)	Inhibition of His-tagged recombinant human IDO1 expressed in Escherichia coli using tryptophan as substrate by Ehrlich's method
50034322	1	ChEMBL_795925 (CHEMBL1936798)	Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by Fluorometry
50034322	2	ChEMBL_795926 (CHEMBL1936799)	Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry
50034323	1	ChEMBL_796729 (CHEMBL1938044)	Agonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50034323	2	ChEMBL_796730 (CHEMBL1938045)	Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50034323	3	ChEMBL_796731 (CHEMBL1938046)	Agonist activity at human S1P3 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50034323	4	ChEMBL_796732 (CHEMBL1938047)	Agonist activity at human S1P4 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50034323	5	ChEMBL_796733 (CHEMBL1938048)	Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
50034324	1	ChEMBL_795350 (CHEMBL1937206)	Agonist activity at human S1P4R expressed in human U2OS cells containing EDG6 gene co-expressing GAL4-VP16 and beta-arrestin/TEV protease assessed as migration of VP16-GAL4 into nucleus by FERT based beta-lactamase reporter gene assay
50034325	1	ChEMBL_795362 (CHEMBL1937262)	Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 60 mins by multi-spot assay
50034325	2	ChEMBL_795360 (CHEMBL1937260)	Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay
50034326	1	ChEMBL_795434 (CHEMBL1937383)	Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting
50034326	2	ChEMBL_795435 (CHEMBL1937384)	Inhibition of CDK2
50034326	3	ChEMBL_795436 (CHEMBL1937385)	Inhibition of Flt3
50034326	4	ChEMBL_795437 (CHEMBL1937386)	Inhibition of JAK2
50034327	1	ChEMBL_795440 (CHEMBL1937445)	Displacement of [125I]Glucagon-Cex from human GCGR
50049103	2	ChEMBL_1653066 (CHEMBL4002321)	Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of human CRF-stimulated cAMP accumulation
50049104	1	ChEMBL_1653091 (CHEMBL4002346)	Inhibition of human CYP3A4
50034327	2	ChEMBL_795449 (CHEMBL1937454)	Displacement of [125I]GIP from human GIPR
50034327	3	ChEMBL_795447 (CHEMBL1937452)	Displacement of [125I]GLP-1 from human GLP1R
50049105	1	ChEMBL_1653165 (CHEMBL4002420)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as inhibition of peak current after 50 secs by automated patch clamp assay
50034328	1	ChEMBL_795546 (CHEMBL1935924)	Inhibition of mouse Sky kinase assessed as inhibition of src substrate phosphorylation by ELISA
50034328	2	ChEMBL_795551 (CHEMBL1935929)	Inhibition of CYP2D6 using dextromethorphan as substrate
50034328	3	ChEMBL_795567 (CHEMBL1935945)	Inhibition of Abl
50034328	4	ChEMBL_795638 (CHEMBL1936068)	Inhibition of PKCzeta
50034328	5	ChEMBL_795639 (CHEMBL1936069)	Inhibition of Cdk2
50034328	7	ChEMBL_795641 (CHEMBL1936071)	Inhibition of Chk2
50034328	8	ChEMBL_795643 (CHEMBL1936073)	Inhibition of Gsk3beta
50034328	9	ChEMBL_795644 (CHEMBL1936074)	Inhibition of IKK-beta
50034328	10	ChEMBL_795645 (CHEMBL1936075)	Inhibition of IKKi
50034328	11	ChEMBL_795646 (CHEMBL1936076)	Inhibition of Lck
50034328	12	ChEMBL_795647 (CHEMBL1936077)	Inhibition of MAPKAP-2
50034328	13	ChEMBL_795648 (CHEMBL1936078)	Inhibition of Pak4
50034328	14	ChEMBL_795649 (CHEMBL1936079)	Inhibition of PDK1
50034328	15	ChEMBL_795650 (CHEMBL1936080)	Inhibition of Pim-2
50034328	16	ChEMBL_795652 (CHEMBL1936082)	Inhibition of Src
50034328	17	ChEMBL_795653 (CHEMBL1936083)	Inhibition of FGFR1
50034328	18	ChEMBL_795655 (CHEMBL1936136)	Inhibition of CK1delta
50034328	19	ChEMBL_795656 (CHEMBL1936137)	Inhibition of HGFR
50034328	20	ChEMBL_795657 (CHEMBL1936138)	Inhibition of Axl
50034328	21	ChEMBL_795658 (CHEMBL1936139)	Inhibition of Mer
50034328	22	ChEMBL_795557 (CHEMBL1935935)	Inhibition of AKT1
50034328	23	ChEMBL_795558 (CHEMBL1935936)	Inhibition of Aurora-A
50034328	24	ChEMBL_795559 (CHEMBL1935937)	Inhibition of BTK
50034328	25	ChEMBL_795560 (CHEMBL1935938)	Inhibition of EGFR
50034328	27	ChEMBL_795562 (CHEMBL1935940)	Inhibition of Erk2
50034328	28	ChEMBL_795563 (CHEMBL1935941)	Inhibition of Sgk
50034328	29	ChEMBL_795564 (CHEMBL1935942)	Inhibition of TAOK3
50034328	30	ChEMBL_795565 (CHEMBL1935943)	Inhibition of TrkA
50034328	31	ChEMBL_795566 (CHEMBL1935944)	Inhibition of VEGFR2
50034329	1	ChEMBL_795669 (CHEMBL1936150)	Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50034329	2	ChEMBL_795666 (CHEMBL1936147)	Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50034329	3	ChEMBL_795667 (CHEMBL1936148)	Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50034329	4	ChEMBL_795668 (CHEMBL1936149)	Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50034330	1	ChEMBL_795748 (CHEMBL1936377)	Inhibition of His6-tagged c-Src kinase domain using AEEEIYGEFEAKKKK as substrate pre-incubated for 10 mins before substrate addition measured after 30 mins by Transcreener ADP2 FI Assay
50049106	1	ChEMBL_1653180 (CHEMBL4002435)	Inhibition of human URAT1 expressed in HEK293 cells assessed as inhibition of [14C]uric acid uptake preincubated for 15 mins followed by [14C]uric acid addition measured after 10 mins by liquid scintillation counting method
50049106	2	ChEMBL_1653171 (CHEMBL4002426)	Inhibition of CYP1A2 (unknown origin)
50034331	2	ChEMBL_795750 (CHEMBL1936379)	Displacement of [3H]PGD2 from human DP receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA
50049106	3	ChEMBL_1653168 (CHEMBL4002423)	Inhibition of CYP2C9 (unknown origin)
50049106	4	ChEMBL_1653170 (CHEMBL4002425)	Inhibition of CYP2C19 (unknown origin)
50049106	5	ChEMBL_1653167 (CHEMBL4002422)	Inhibition of CYP2D6 (unknown origin)
50049106	6	ChEMBL_1653169 (CHEMBL4002424)	Inhibition of CYP3A4 (unknown origin)
50049106	7	ChEMBL_1653166 (CHEMBL4002421)	Inhibition of human ERG
50034332	1	ChEMBL_795949 (CHEMBL1936822)	Inhibition of human ERG by rubidium [86Rb] efflux assay
50034332	2	ChEMBL_795950 (CHEMBL1936823)	Antagonist activity at MCHR1 by FLIPR assay
50034332	3	ChEMBL_795936 (CHEMBL1936809)	Inhibition of dopamine D2 receptor
50034332	4	ChEMBL_795932 (CHEMBL1936805)	Antagonist activity at human MCHR2 receptor expressed in CHO cells assessed as inhibition of MCH-stimulated Ca2+ flux preincubated for 10 mins prior to MCH-stimulation by FLIPR assay
50034332	5	ChEMBL_795933 (CHEMBL1936806)	Displacement of [3H]N-(1'-((9-ethyl-9H-carbazol-3-yl)methyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)acetamide from human MCHR2 expressed in HEK293 cells after 2 hrs
50034332	6	ChEMBL_795937 (CHEMBL1936810)	Inhibition of serotonin transporter
50049107	1	ChEMBL_1653320 (CHEMBL4002686)	Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 4.6 Lineweaver-burk plot analysis
50049107	2	ChEMBL_1653321 (CHEMBL4002687)	Non-competitive inhibition of recombinant human alpha GAL-A using varying levels of 4-methylumbelliferyl alpha-D-galactopyranoside substrate at pH 7 Lineweaver-burk plot analysis
50049107	3	ChEMBL_1653300 (CHEMBL4002666)	Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluorescence assay
50049107	4	ChEMBL_1653299 (CHEMBL4002665)	Inhibition of recombinant human alpha GAL-A using 4-methylumbelliferyl alpha-D-galactopyranoside as substrate at pH 4.6 after 15 mins by fluorescence assay
50034333	3	ChEMBL_796288 (CHEMBL1937603)	Inhibition of BACE2
50034333	4	ChEMBL_796289 (CHEMBL1937604)	Inhibition of renin
50034333	5	ChEMBL_796290 (CHEMBL1937605)	Inhibition of Cat D
50034334	1	ChEMBL_796357 (CHEMBL1937672)	Inhibition of PI3Kalpha by luminescent kinase assay
50034335	4	ChEMBL_796444 (CHEMBL1937759)	Agonist activity at dog PPARalpha
50034335	5	ChEMBL_796445 (CHEMBL1937760)	Agonist activity at dog PPARgamma
50034335	6	ChEMBL_796446 (CHEMBL1937761)	Agonist activity at dog PPARdelta
50034335	7	ChEMBL_796450 (CHEMBL1937765)	Agonist activity at rat PPARalpha
50034335	8	ChEMBL_796451 (CHEMBL1937766)	Agonist activity at rat PPARgamma
50034335	9	ChEMBL_796453 (CHEMBL1937768)	Agonist activity at mouse PPARalpha
50034335	10	ChEMBL_796454 (CHEMBL1937769)	Agonist activity at mouse PPARgamma
50034335	11	ChEMBL_796455 (CHEMBL1937770)	Agonist activity at mouse PPARdelta
50034336	1	ChEMBL_796573 (CHEMBL1937888)	Inhibition of human 17beta-HSD3 expressed in HeLa cells assessed as conversion of 4-androstene-3,17-dione to testosterone
50034336	3	ChEMBL_796575 (CHEMBL1937890)	Inhibition of 17beta-HSD3 in mouse testes homogenate
50034337	1	ChEMBL_796661 (CHEMBL1937976)	Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay
50034338	1	ChEMBL_796747 (CHEMBL1938062)	Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
50034338	2	ChEMBL_796748 (CHEMBL1938063)	Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
50034338	3	ChEMBL_796749 (CHEMBL1938064)	Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 6 hrs by phenol red-based stopped-flow CO2 hydrase assay
50034338	4	ChEMBL_796750 (CHEMBL1938065)	Inhibition of human CA1 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay
50034338	5	ChEMBL_796751 (CHEMBL1938066)	Inhibition of human CA2 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay
50034338	6	ChEMBL_796752 (CHEMBL1938067)	Inhibition of human CA9 pre-incubated for 15 mins to 24 hrs measured after 15 mins by phenol red-based stopped-flow CO2 hydrase assay
50034339	1	ChEMBL_796755 (CHEMBL1938070)	Inhibition of human OSC expressed in Saccharomyces cerevisiae by gas chromatography
50034340	1	ChEMBL_796756 (CHEMBL1938071)	Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells assessed as conversion of p-tyramine into p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric assay
50034340	2	ChEMBL_796758 (CHEMBL1938073)	Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by fluorimetric assay
50034341	1	ChEMBL_796762 (CHEMBL1938077)	Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay
50034342	1	ChEMBL_795371 (CHEMBL1937271)	Inhibition of PRL3 after 1 hr by DiFMUP assay
50034342	2	ChEMBL_795372 (CHEMBL1937272)	Inhibition of PRL-3-mediated cell migration in human DLD1 cells after 15 hrs by crystal violet staining based microscopic assay
50034342	3	ChEMBL_795375 (CHEMBL1937275)	Inhibition of PRL-3-mediated cell invasion in human DLD1 cells after 20 hrs using crystal violet staining by Matrigel invasion assay
50034343	1	ChEMBL_795380 (CHEMBL1937280)	Displacement of Eu-MCH from human recombinant MCH-R1 expressed in CHO cell membrane after 90 mins by time-resolved fluorescence assay
50034343	2	ChEMBL_795379 (CHEMBL1937279)	Inhibition of human ERG
50034344	1	ChEMBL_795467 (CHEMBL1937472)	Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis
50034345	1	ChEMBL_795479 (CHEMBL1937484)	Inhibition of CYP1A2
50034345	2	ChEMBL_795480 (CHEMBL1937485)	Inhibition of CYP2C9
50034345	3	ChEMBL_795481 (CHEMBL1937486)	Inhibition of CYP2C19
50034345	4	ChEMBL_795482 (CHEMBL1937487)	Inhibition of CYP2D6
50034345	5	ChEMBL_795483 (CHEMBL1937488)	Inhibition of CYP3A4
50034345	6	ChEMBL_795468 (CHEMBL1937473)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells
50034345	7	ChEMBL_795469 (CHEMBL1937474)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
50034345	8	ChEMBL_795470 (CHEMBL1937475)	Inverse agonist activity at human histamine H3 receptor by [35S]GTPgammaS binding assay
50034345	9	ChEMBL_795488 (CHEMBL1937493)	Inhibition of human ERG by patch-express assay
50034346	1	ChEMBL_795673 (CHEMBL1936154)	Inhibition of electric eel AChE using acetylcholine as substrate measured every sec for 2 mins by Ellman's method
50034347	1	ChEMBL_796138 (CHEMBL1938153)	Inhibition of recombinant human PARP1 by in vitro assay
50034348	1	ChEMBL_796143 (CHEMBL1937507)	Inhibition of human MMP-12
50034348	2	ChEMBL_796146 (CHEMBL1937510)	Inhibition of human MMP-2
50034348	3	ChEMBL_796147 (CHEMBL1937511)	Inhibition of human MMP-3
50034348	4	ChEMBL_796148 (CHEMBL1937512)	Inhibition of human MMP-7
50034348	5	ChEMBL_796149 (CHEMBL1937513)	Inhibition of human MMP-8
50034348	7	ChEMBL_796151 (CHEMBL1937515)	Inhibition of human MMP-13
50034348	8	ChEMBL_796155 (CHEMBL1937519)	Inhibition of mouse MMP-12
50034348	9	ChEMBL_796156 (CHEMBL1937520)	Inhibition of rabbit MMP-12
50034348	10	ChEMBL_796157 (CHEMBL1937521)	Inhibition of dog MMP-12
50034349	1	ChEMBL_796211 (CHEMBL1938176)	Inhibition of human Erg
50034349	2	ChEMBL_795961 (CHEMBL1936233)	Binding affinity to human histamine H3 receptor
50034349	3	ChEMBL_795962 (CHEMBL1936234)	Binding affinity to rat histamine H3 receptor
50034349	4	ChEMBL_795963 (CHEMBL1936235)	Binding affinity to human histamine H1 receptor
50034349	5	ChEMBL_795964 (CHEMBL1936236)	Binding affinity to human histamine H2 receptor
50034349	6	ChEMBL_795965 (CHEMBL1936237)	Binding affinity to human histamine H4 receptor
50034349	7	ChEMBL_795970 (CHEMBL1936242)	Inhibition of CYP1A2
50034349	8	ChEMBL_795971 (CHEMBL1936243)	Inhibition of CYP2C9
50034349	9	ChEMBL_795972 (CHEMBL1936244)	Inhibition of CYP2C19
50034349	10	ChEMBL_795973 (CHEMBL1936245)	Inhibition of CYP2D6
50034349	11	ChEMBL_795974 (CHEMBL1936246)	Inhibition of CYP3A4
50034350	1	ChEMBL_796233 (CHEMBL1938198)	Displacement of [3H]dofetolide from human Erg
50034350	2	ChEMBL_796234 (CHEMBL1938199)	Inhibition of human Erg by whole cell patch clamp electrophysiology
50034350	3	ChEMBL_796225 (CHEMBL1938190)	Antagonist activity at histamine H1 receptor
50034350	4	ChEMBL_796226 (CHEMBL1938191)	Inhibition of muscarinic M1 receptor
50034350	5	ChEMBL_796227 (CHEMBL1938192)	Inhibition of CYP2D6
50034350	6	ChEMBL_796228 (CHEMBL1938193)	Inhibition of CYP3A4
50034351	1	ChEMBL_795794 (CHEMBL1936681)	Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding
50034351	2	ChEMBL_795795 (CHEMBL1936682)	Displacement of [3H]histamine from rat H1R
50034351	3	ChEMBL_795796 (CHEMBL1936683)	Displacement of [3H]histamine from rat H3R
50034351	4	ChEMBL_795797 (CHEMBL1936684)	Displacement of [3H]histamine from rat H4R
50034351	5	ChEMBL_795798 (CHEMBL1936685)	Displacement of [3H]histamine from mouse H1R
50034351	6	ChEMBL_795799 (CHEMBL1936686)	Displacement of [3H]histamine from mouse H3R
50034351	7	ChEMBL_796037 (CHEMBL1936570)	Displacement of [3H]histamine from mouse H4R
50034351	8	ChEMBL_795783 (CHEMBL1936670)	Binding affinity to human histamine H4 receptor
50034351	9	ChEMBL_795784 (CHEMBL1936671)	Binding affinity to rat histamine H4 receptor
50034351	10	ChEMBL_795785 (CHEMBL1936672)	Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes
50034351	11	ChEMBL_795791 (CHEMBL1936678)	Displacement of [3H]histamine from human H3 receptor expressed in HEK cell membranes
50034351	12	ChEMBL_795792 (CHEMBL1936679)	Displacement of [3H]histamine from human H1 receptor expressed in HEK cell membranes
50034352	1	ChEMBL_796042 (CHEMBL1936575)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
50034352	2	ChEMBL_796043 (CHEMBL1936576)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level
50034353	1	ChEMBL_796062 (CHEMBL1936932)	Antagonist activity at human recombinant 5-HT6 receptor expressed human astrocytoma cells assessed as inhibition of 5-HT-induced cAMP accumulation after 1 hr preincubation by HTRF assay
50034353	2	ChEMBL_796061 (CHEMBL1936931)	Displacement of [3H]LSD from full length rat 5HT6 receptor
50034353	3	ChEMBL_796060 (CHEMBL1936930)	Displacement of [3H]LSD from full length human 5HT6 receptor
50034353	4	ChEMBL_796317 (CHEMBL1937632)	Inhibition of CYP1A2
50034353	5	ChEMBL_796318 (CHEMBL1937633)	Inhibition of CYP2C19
50034353	6	ChEMBL_796319 (CHEMBL1937634)	Inhibition of CYP2D6
50034353	7	ChEMBL_796320 (CHEMBL1937635)	Inhibition of CYP3A4
50034353	8	ChEMBL_796321 (CHEMBL1937636)	Inhibition of CYP2C9
50034353	9	ChEMBL_796328 (CHEMBL1937643)	Antagonist activity at 5HT2B receptor
50034353	10	ChEMBL_796063 (CHEMBL1936933)	Inhibition of human ERG by patch express assay
50034354	1	ChEMBL_795018 (CHEMBL1936398)	Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cells after 60 mins
50034354	2	ChEMBL_795019 (CHEMBL1936399)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cells after 60 mins
50034355	1	ChEMBL_795021 (CHEMBL1936401)	Inhibition of PLK1
50034355	3	ChEMBL_795076 (CHEMBL1936502)	Inhibition of FLT3
50034355	4	ChEMBL_795077 (CHEMBL1936503)	Inhibition of c-ABL
50034355	5	ChEMBL_795078 (CHEMBL1936504)	Inhibition of AKT1
50049108	1	ChEMBL_1653398 (CHEMBL4002764)	Inhibition of recombinant KDR (unknown origin) using poly (Glu, Tyr) 4:1 after 60 mins by ELISA method
50034355	7	ChEMBL_795080 (CHEMBL1936506)	Inhibition of BRK
50034355	8	ChEMBL_795081 (CHEMBL1936507)	Inhibition of CDC7
50034355	9	ChEMBL_795085 (CHEMBL1936511)	Inhibition of CDK5/P25
50049108	2	ChEMBL_1653397 (CHEMBL4002763)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 after 60 mins by ELISA method
50034355	11	ChEMBL_795088 (CHEMBL1936514)	Inhibition of ERK2
50034355	12	ChEMBL_795089 (CHEMBL1936515)	Inhibition of FGFR1
50034355	13	ChEMBL_795090 (CHEMBL1936516)	Inhibition of GSK3-beta
50034355	14	ChEMBL_795091 (CHEMBL1936517)	Inhibition of IGFR1
50034355	15	ChEMBL_795092 (CHEMBL1936518)	Inhibition of IKK2
50049108	3	ChEMBL_1653401 (CHEMBL4002767)	Inhibition of recombinant FGFR3 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50034355	17	ChEMBL_795094 (CHEMBL1936520)	Inhibition of JAK2
50034355	18	ChEMBL_795097 (CHEMBL1936523)	Inhibition of MAP-KAPK2
50034355	19	ChEMBL_795158 (CHEMBL1936630)	Inhibition of TRKA
50034355	20	ChEMBL_795159 (CHEMBL1936631)	Inhibition of VEGFR2
50049108	4	ChEMBL_1653402 (CHEMBL4002768)	Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	5	ChEMBL_1653403 (CHEMBL4002769)	Inhibition of recombinant RET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50034355	22	ChEMBL_795022 (CHEMBL1936402)	Inhibition of PLK2
50034355	23	ChEMBL_795023 (CHEMBL1936403)	Inhibition of PLK3
50049108	6	ChEMBL_1653404 (CHEMBL4002770)	Inhibition of recombinant VEGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	7	ChEMBL_1653405 (CHEMBL4002771)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	8	ChEMBL_1653406 (CHEMBL4002772)	Inhibition of recombinant PDGFRalpha (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	9	ChEMBL_1653408 (CHEMBL4002774)	Inhibition of recombinant c-Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	10	ChEMBL_1653409 (CHEMBL4002775)	Inhibition of recombinant ABL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	11	ChEMBL_1653400 (CHEMBL4002766)	Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50049108	12	ChEMBL_1653407 (CHEMBL4002773)	Inhibition of recombinant PDGFRbeta (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50034355	24	ChEMBL_795073 (CHEMBL1936499)	Inhibition of Aurora-A
50034355	25	ChEMBL_795095 (CHEMBL1936521)	Inhibition of KIT
50034355	26	ChEMBL_795096 (CHEMBL1936522)	Inhibition of LCK
50034355	27	ChEMBL_795098 (CHEMBL1936524)	Inhibition of MET
50034355	28	ChEMBL_795099 (CHEMBL1936525)	Inhibition of MPS1
50034355	29	ChEMBL_795100 (CHEMBL1936526)	Inhibition of MST4
50034355	30	ChEMBL_795101 (CHEMBL1936527)	Inhibition of NEK6
50034355	31	ChEMBL_795103 (CHEMBL1936529)	Inhibition of P38alpha
50034355	32	ChEMBL_795104 (CHEMBL1936530)	Inhibition of PAK4
50034355	33	ChEMBL_795106 (CHEMBL1936532)	Inhibition of PDK1
50034355	34	ChEMBL_795154 (CHEMBL1936626)	Inhibition of PKAalpha
50034355	35	ChEMBL_795155 (CHEMBL1936627)	Inhibition of PKCbeta
50034355	36	ChEMBL_795156 (CHEMBL1936628)	Inhibition of RET
50034356	1	ChEMBL_795244 (CHEMBL1936903)	Inhibition of human DMT1 expressed in CHO cells assessed as blockage of ferrous influx after 20 mins by calcein fluorescence quenching method
50034357	1	ChEMBL_795308 (CHEMBL1937068)	Inhibition of GST-tagged human DYRK1A using dephosphorylated MBP as substrate after 10 mins by Kinase-Glo plus luminescent kinase assay
50034359	1	ChEMBL_794697 (CHEMBL1937306)	Inhibition of human GST-tagged VEGFR2 intracellular domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 30 mins by HTRF assay
50034359	2	ChEMBL_794699 (CHEMBL1937308)	Inhibition of VEGFR1
50034359	4	ChEMBL_794701 (CHEMBL1937310)	Inhibition of PDGFRalpha
50034359	5	ChEMBL_794702 (CHEMBL1937311)	Inhibition of PDGFRbeta
50034359	6	ChEMBL_794703 (CHEMBL1937312)	Inhibition of FGFR1
50034359	7	ChEMBL_794704 (CHEMBL1937313)	Inhibition of Tie2
50034359	8	ChEMBL_794705 (CHEMBL1937314)	Inhibition of EGFR
50034359	9	ChEMBL_794706 (CHEMBL1937315)	Inhibition of HER2
50049109	1	ChEBML_1653455	Inhibition of recombinant full length human CETP expressed in CHO cells assessed as reduction in BODIPY-CE transfer measured after 1 to 3 hrs by fluorescence assay
50034359	11	ChEMBL_794709 (CHEMBL1937318)	Inhibition of aurora-A
50034360	1	ChEMBL_794805 (CHEMBL1935988)	Inhibition of JAK3
50049109	2	ChEMBL_1653455 (CHEMBL4002821)	Inhibition of recombinant full length human CETP expressed in CHO cells assessed as reduction in BODIPY-CE transfer measured after 1 to 3 hrs by fluorescence assay
50049110	1	ChEBML_1653456	Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease in platelet swelling preincubated for 3 mins followed by sodium propionate addition measured after 4 mins by spectrophotometric method
50049110	2	ChEMBL_1653456 (CHEMBL4002822)	Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease in platelet swelling preincubated for 3 mins followed by sodium propionate addition measured after 4 mins by spectrophotometric method
50034360	5	ChEMBL_794849 (CHEMBL1936085)	Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay
50034360	6	ChEMBL_794825 (CHEMBL1936008)	Inhibition of FAK in human 293GT cells after 1 hr by luminescence-based spectrophotometry
50034361	1	ChEMBL_794859 (CHEMBL1936095)	Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes
50034361	2	ChEMBL_794861 (CHEMBL1936097)	Inhibition of human ERG by patch-clamp assay
50034361	3	ChEMBL_794973 (CHEMBL1936300)	Binding affinity to human cloned histamine H3 receptor
50034361	4	ChEMBL_794974 (CHEMBL1936301)	Inverse agonist activity at human cloned histamine H3 receptor by [35S]GTPgammaS binding assay
50034361	5	ChEMBL_794978 (CHEMBL1936305)	Inhibition of CYP3A4
50034361	6	ChEMBL_795024 (CHEMBL1936404)	Inhibition of CYP1A2
50034361	7	ChEMBL_795025 (CHEMBL1936405)	Inhibition of CYP2C9
50034361	8	ChEMBL_795026 (CHEMBL1936406)	Inhibition of CYP2C19
50034361	9	ChEMBL_795027 (CHEMBL1936407)	Inhibition of CYP2D6
50034362	1	ChEMBL_795124 (CHEMBL1936596)	Inhibition of IMPDH2
50034363	1	ChEMBL_795269 (CHEMBL1937029)	Displacement of [3H]DPCPX from A1 adenosine receptor in rat membranes
50049111	1	ChEMBL_1653524 (CHEMBL4002890)	Inhibition of recombinant full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 substrate by fluorescence assay
50034365	1	ChEMBL_795335 (CHEMBL1937191)	Inhibition of Bordetella FB188 HDAH using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay
50034365	2	ChEMBL_795336 (CHEMBL1937192)	Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay
50034365	3	ChEMBL_795337 (CHEMBL1937193)	Inhibition of recombinant human HDAC6 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay
50034365	4	ChEMBL_795338 (CHEMBL1937194)	Inhibition of recombinant human HDAC7 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay
50034365	5	ChEMBL_795339 (CHEMBL1937195)	Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay
50034366	1	ChEMBL_794624 (CHEMBL1937144)	Binding affinity to BMPR1B by multi dose competitive binding assay
50034367	1	ChEMBL_794677 (CHEMBL1937239)	Inhibition of rat brain membrane FAAH
50034367	2	ChEMBL_794678 (CHEMBL1937240)	Inhibition of rat intact neuron FAAH
50034367	3	ChEMBL_794679 (CHEMBL1937241)	Inhibition of rat recombinant FAAH expressed in Escherichia coli
50034367	4	ChEMBL_794680 (CHEMBL1937242)	Inhibition of Sprague-Dawley rat brain microsome FAAH assessed as reduction in 4-pyren-1-ylbutanoic acid release after 60 mins by reverse phase HPLC-based fluorescence method
50034367	5	ChEMBL_794682 (CHEMBL1937244)	Inhibition of FAAH
50034368	1	ChEMBL_794797 (CHEMBL1935980)	Inhibition of PTB1B using pNPP as substrate after 30 mins
50034368	2	ChEMBL_794794 (CHEMBL1935919)	Transactivation of human full length PPARalpha expressed in COS1 cells co-transfected with RXRalpha after 24 hrs by luciferase reporter gene assay
50034368	3	ChEMBL_794793 (CHEMBL1935918)	Transactivation of human full length PPARgamma expressed in COS1 cells co-transfected with RXRalpha after 24 hrs by luciferase reporter gene assay
50034369	1	ChEMBL_794899 (CHEMBL1936135)	Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50034369	2	ChEMBL_794927 (CHEMBL1936206)	Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50034369	3	ChEMBL_794928 (CHEMBL1936207)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production by competition protein binding assay
50034369	4	ChEMBL_794930 (CHEMBL1936209)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells
50034369	5	ChEMBL_794931 (CHEMBL1936210)	Displacement of [3H]-SCH 58261 from human adenosine A2A receptor expressed in CHO cells
50034369	6	ChEMBL_794932 (CHEMBL1936211)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50034369	7	ChEMBL_794898 (CHEMBL1936134)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50034369	8	ChEMBL_794939 (CHEMBL1936218)	Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins
50034369	9	ChEMBL_794929 (CHEMBL1936208)	Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of Cl-IB-MECA-induced cAMP production by competition protein binding assay
50034370	1	ChEMBL_794948 (CHEMBL1936227)	Binding affinity to dopamine D1 receptor
50034370	2	ChEMBL_794949 (CHEMBL1936228)	Binding affinity to dopamine D2 receptor
50034371	1	ChEMBL_794980 (CHEMBL1936307)	Inhibition of mPGES-1 in human A549 cell microsomes assessed as conversion of PGH2 into PGE2 at 0 degC after 5 mins by HPLC-UV analysis
50034371	2	ChEMBL_794981 (CHEMBL1936308)	Inhibition of human recombinant mPGES-1 in assessed as conversion of PGH2 into PGE2 at 20 degC after 5 mins by HPLC-UV analysis
50034371	3	ChEMBL_794983 (CHEMBL1936310)	Inhibition of mPGES-1
50049112	1	ChEMBL_1653530 (CHEMBL4002896)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-AMC as substrate by fluorometric method
50034373	1	ChEMBL_795138 (CHEMBL1936610)	Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma
50034373	2	ChEMBL_795137 (CHEMBL1936609)	Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay
50034373	3	ChEMBL_795136 (CHEMBL1936608)	Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay
50034373	4	ChEMBL_795134 (CHEMBL1936606)	Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter gene transactivation assay
50034374	1	ChEMBL_795153 (CHEMBL1936625)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide production from p-tryptamine after 15 mins by fluorimetric method
50034374	2	ChEMBL_795208 (CHEMBL1936776)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide production from p-tryptamine after 15 mins by fluorimetric method
50049112	2	ChEMBL_1653532 (CHEMBL4002898)	Inhibition of PGPH activity of human 20S proteasome using (Z)-LLE-bNA as substrate by fluorometric method
50049112	3	ChEMBL_1653531 (CHEMBL4002897)	Inhibition of trypsin-like activity of human 20S proteasome using Bz-VGR-AMC as substrate by fluorometric method
50049113	1	ChEMBL_1653561 (CHEMBL4002927)	Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 2 to 5 mins
50049113	2	ChEMBL_1653560 (CHEMBL4002926)	Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substrate addition measured after 60 mins by ATP-Glo kinase assay
50049113	3	ChEMBL_1653567 (CHEMBL4002933)	Inhibition of RAC1/CDC42 in human ovarian cancer cells
50049114	1	ChEMBL_1653587 (CHEMBL4002953)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu4, Tyr) as substrate after 60 mins by ADP-glo kinase assay
50049115	1	ChEMBL_1653671 (CHEMBL4003037)	Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measured after 15 mins by fluorescence polarization assay
50049115	2	ChEMBL_1653672 (CHEMBL4003038)	Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDMX (1 to 134 residues) measured after 15 mins by fluorescence polarization assay
50034376	1	ChEMBL_794525 (CHEMBL1936847)	Inhibition of recombinant perforin-mediated lysis of Jurkat cells assessed as [51Cr] release preincubated with perforin for 30 mins followed by incubation with [51Cr]-labeled Jurkat cells by gamma counting
50034377	1	ChEMBL_794579 (CHEMBL1936998)	Inhibition of human HGPRT by spectrophotometric analysis in absence of PPi
50034378	1	ChEMBL_796806 (CHEMBL1943836)	Inhibition of HDAC1 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay
50034378	2	ChEMBL_796807 (CHEMBL1943837)	Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay
50034378	3	ChEMBL_796808 (CHEMBL1943838)	Inhibition of HDAC4 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay
50034378	4	ChEMBL_796809 (CHEMBL1943839)	Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay
50034378	5	ChEMBL_796810 (CHEMBL1943840)	Inhibition of HDAC8 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay
50034379	1	ChEMBL_796815 (CHEMBL1943845)	Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method
50034379	2	ChEMBL_796814 (CHEMBL1943844)	Inhibition of AChE in bovine erythrocytes using acetylthiocholine as substrate by Ellman method
50034380	1	ChEMBL_797087 (CHEMBL1944408)	Inhibition of mitotic kinesin Eg5 in human transformed WI38VA13 cells assessed as inhibition of microtubule-activated ATPase activity
50034381	1	ChEMBL_797096 (CHEMBL1944454)	Displacement of fluorescent H-Abu-Arg-Pro-Phe-Lys-NH-FAM-NH2 peptide from XIAP BIR3 domain by fluorescence polarization assay
50034382	1	ChEMBL_797190 (CHEMBL1942505)	Inhibition of human VEGFR1
50034382	2	ChEMBL_797121 (CHEMBL1944479)	Binding affinity to p38alpha MAPK by surface plasmon resonance method
50034382	3	ChEMBL_797142 (CHEMBL1942369)	Binding affinity to human p38alpha MAPK by surface plasmon resonance method
50034382	4	ChEMBL_797144 (CHEMBL1942371)	Inhibition of p38beta MAPK
50034382	5	ChEMBL_797145 (CHEMBL1942372)	Inhibition of MINK
50034383	1	ChEMBL_797212 (CHEMBL1942527)	Inhibition of LSD1
50034383	2	ChEMBL_797220 (CHEMBL1942535)	Inhibition of KDM4A
50034383	3	ChEMBL_797221 (CHEMBL1942536)	Inhibition of KDM2A
50034383	4	ChEMBL_797222 (CHEMBL1942537)	Inhibition of KDM4C
50034383	5	ChEMBL_797224 (CHEMBL1942539)	Inhibition of PHD2
50034383	6	ChEMBL_797226 (CHEMBL1942541)	Inhibition of PHD1
50034383	7	ChEMBL_797225 (CHEMBL1942540)	Inhibition of FIH
50034383	8	ChEMBL_797227 (CHEMBL1942542)	Inhibition of KDM6B
50034383	9	ChEMBL_797228 (CHEMBL1942543)	Inhibition of KDM7B
50034383	10	ChEMBL_797229 (CHEMBL1942544)	Inhibition of PHD3
50034383	11	ChEMBL_797219 (CHEMBL1942534)	Inhibition of KDM3A
50034383	12	ChEMBL_797216 (CHEMBL1942531)	Inhibition of MAO B
50034383	13	ChEMBL_797214 (CHEMBL1942529)	Inhibition of MAO A
50034383	14	ChEMBL_797218 (CHEMBL1942533)	Inhibition of LSD2
50034384	1	ChEMBL_797232 (CHEMBL1942547)	Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay
50034385	1	ChEMBL_796983 (CHEMBL1944058)	Inhibition of c-Met phosphorylation in human GTL16 cells after 2 hrs by immunoassay
50049115	3	ChEMBL_1653674 (CHEMBL4003040)	Inhibition of fluorescent P4 peptide binding to human MDM2 (18 to 111 or 1 to 125 residues) expressed in Escherichia coli BL21(DE3) Rosetta measured after 30 mins by fluorescence polarization assay
50049116	1	ChEMBL_1653676 (CHEMBL4003042)	Inhibition of bovine TNAP using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectrophotometric method
50049116	2	ChEMBL_1653677 (CHEMBL4003043)	Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectrophotometric method
50034386	2	ChEMBL_797100 (CHEMBL1944458)	Inhibition of GlyT1 in human JAR cells assessed as inhibition of [3H]glycine uptake preincubated for 1 mins measured after 2 hrs by liquid scintillation counting
50034387	2	ChEMBL_799227 (CHEMBL1941192)	Inhibition of COX2-mediated PGE2 production in LPS-induced human whole blood after 60 mins by radioimmunoassay
50034387	3	ChEMBL_799061 (CHEMBL1941920)	Inhibition of COX-1-mediated PGE2 production in arachidonic acid-stimulated mouse J774 cells incubated for 15 mins prior to arachidonic acid-challenge by radioimmunoassay
50034387	4	ChEMBL_799066 (CHEMBL1941925)	Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay
50034388	1	ChEMBL_799072 (CHEMBL1942013)	Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion
50034389	1	ChEMBL_799075 (CHEMBL1942016)	Inhibition of MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	2	ChEMBL_799076 (CHEMBL1942017)	Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	3	ChEMBL_799077 (CHEMBL1942018)	Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	4	ChEMBL_799078 (CHEMBL1942019)	Inhibition of MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	5	ChEMBL_799079 (CHEMBL1942020)	Inhibition of human recombinant MMP8 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	7	ChEMBL_799126 (CHEMBL1942110)	Inhibition of MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	8	ChEMBL_799127 (CHEMBL1942111)	Inhibition of MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	10	ChEMBL_799129 (CHEMBL1942113)	Inhibition of human recombinant MMP16 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034389	11	ChEMBL_799130 (CHEMBL1942114)	Inhibition of TACE using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluorescence analysis
50034390	1	ChEMBL_799139 (CHEMBL1942123)	Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method
50034390	2	ChEMBL_799140 (CHEMBL1942124)	Inhibition of bovine brain MAOB using kynuramine as a substrate after 30 mins by spectrofluorometric method
50034391	1	ChEMBL_799152 (CHEMBL1942202)	Inhibition of human recombinant MMP7 after 30 mins by fluorimetry
50034391	2	ChEMBL_799153 (CHEMBL1942203)	Inhibition of human recombinant MMP8 after 30 mins by fluorimetry
50034391	4	ChEMBL_799155 (CHEMBL1942205)	Inhibition of human recombinant MMP10 after 30 mins by fluorimetry
50034391	5	ChEMBL_799156 (CHEMBL1942206)	Inhibition of human recombinant MMP12 after 30 mins by fluorimetry
50034391	6	ChEMBL_799157 (CHEMBL1942207)	Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin as substrate after 45 mins by fluorimetry
50034391	7	ChEMBL_799235 (CHEMBL1941200)	Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetry
50034391	11	ChEMBL_799145 (CHEMBL1942129)	Inhibition of human recombinant MMP2 after 30 mins by fluorimetry
50049117	1	ChEMBL_1653831 (CHEMBL4003197)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by HPLC-MS/MS method
50049117	2	ChEMBL_1653832 (CHEMBL4003198)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC-MS/MS method
50049117	3	ChEMBL_1653833 (CHEMBL4003199)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC-MS/MS method
50049117	4	ChEMBL_1653835 (CHEMBL4003201)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by HPLC-MS/MS method
50049117	5	ChEMBL_1653836 (CHEMBL4003202)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC-MS/MS method
50049117	6	ChEMBL_1653834 (CHEMBL4003200)	Inhibition of CYP2C19 in human liver microsomes using S-(+)-mephenytoin as substrate by HPLC-MS/MS method
50049118	1	ChEMBL_1653844 (CHEMBL4003210)	Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate addition measured after 50 mins by fluorescence assay
50034391	13	ChEMBL_799149 (CHEMBL1942133)	Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albumin
50034391	14	ChEMBL_799150 (CHEMBL1942200)	Inhibition of human recombinant MMP1 after 30 mins by fluorimetry
50034391	15	ChEMBL_799151 (CHEMBL1942201)	Inhibition of human recombinant MMP3 after 30 mins by fluorimetry
50034392	1	ChEMBL_799260 (CHEMBL1941810)	Noncompetitive inhibition of human full length recombinant MMP13 using triple-helical fTHP-15 as substrate by Lineweaver-Burk plot analysis
50034392	2	ChEMBL_799327 (CHEMBL1941964)	Inhibition of MMP1 expressed in Escherichia coli using triple-helical fTHP-15 as substrate after 4 hrs by FRET assay
50034392	3	ChEMBL_799328 (CHEMBL1941965)	Inhibition of MMP8 expressed in CHO-K1 cells using triple-helical fTHP-15 as substrate after 4 hrs by FRET assay
50034393	1	ChEMBL_799415 (CHEMBL1942167)	Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA
50034393	2	ChEMBL_799342 (CHEMBL1942055)	Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay
50049118	2	ChEMBL_1653845 (CHEMBL4003211)	Inhibition of human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl]dodecanamide as substrate preincubated for 10 mins followed by substrate addition measured after 3 hrs by fluorescence assay
50049118	3	ChEMBL_1653841 (CHEMBL4003207)	Inhibition of rat NAAA expressed in HEK cells after 30 mins
50049118	4	ChEMBL_1653842 (CHEMBL4003208)	Inhibition of recombinant human NAAA expressed in HEK cells after 30 mins
50034393	6	ChEMBL_799352 (CHEMBL1942065)	Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay
50034393	7	ChEMBL_799353 (CHEMBL1942066)	Inhibition of GST-tagged mTOR assessed as phosphorylation at Thr46 in GFP-4E-BP1 substrate by TR-FRET assay
50034393	8	ChEMBL_799487 (CHEMBL1942295)	Inhibition of Aurora A
50034393	9	ChEMBL_799488 (CHEMBL1942296)	Inhibition of GSK3-beta
50034393	10	ChEMBL_799489 (CHEMBL1942297)	Inhibition of MARK1
50034393	11	ChEMBL_799490 (CHEMBL1942298)	Inhibition of TrkA
50034394	1	ChEMBL_799740 (CHEMBL1941446)	Displacement of [3H]ifenprodil from GluN2B/NMDA in Wistar rat cerebral cortex after 120 mins by scintillation counting
50034394	2	ChEMBL_799744 (CHEMBL1941450)	Displacement of [3H](+)pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting
50034395	1	ChEMBL_799817 (CHEMBL1941523)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method
50034395	2	ChEMBL_799818 (CHEMBL1941524)	Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate after 20 mins preincubation by Ellman method
50034395	4	ChEMBL_799817 (CHEMBL1941523)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method
50034396	1	ChEMBL_798935 (CHEMBL1943442)	Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay
50034397	1	ChEMBL_799273 (CHEMBL1941823)	Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay
50034397	2	ChEMBL_799274 (CHEMBL1941824)	Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay
50034397	3	ChEMBL_799271 (CHEMBL1941821)	Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assay
50034397	4	ChEMBL_799272 (CHEMBL1941822)	Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assay
50034398	1	ChEMBL_799369 (CHEMBL1942082)	Mixed noncompetitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot analysis
50034398	2	ChEMBL_799370 (CHEMBL1942083)	Competitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot analysis
50034398	3	ChEMBL_799281 (CHEMBL1941831)	Uncompetitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50034398	4	ChEMBL_799278 (CHEMBL1941828)	Inhibition of human recombinant MAOA expressed in insect cells using kynuramine substrate after 60 mins
50034398	5	ChEMBL_799279 (CHEMBL1941829)	Inhibition of human recombinant MAOB expressed in insect cells using benzylamine hydrochloride as substrate after 30 mins
50034398	6	ChEMBL_799282 (CHEMBL1941832)	Mixed noncompetitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50034398	7	ChEMBL_799283 (CHEMBL1941833)	Competitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50034398	8	ChEMBL_799284 (CHEMBL1941834)	Noncompetitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot analysis
50034398	9	ChEMBL_799354 (CHEMBL1942067)	Inhibition of human recombinant MAOA expressed in insect cells using kynuramine as substrate by Kitz-Wilson plot analysis
50034398	10	ChEMBL_799371 (CHEMBL1942084)	Noncompetitive inhibition of human recombinant MAO-A assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot analysis
50034399	1	ChEMBL_799449 (CHEMBL1942257)	Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay
50034399	2	ChEMBL_799450 (CHEMBL1942258)	Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay
50034399	3	ChEMBL_799451 (CHEMBL1942259)	Inhibition of PrCP-mediated conversion of Ang3 to Ang(2-7) in mouse plasma
50034400	1	ChEMBL_799590 (CHEMBL1941296)	Inhibition of human GSTA2 using GSH as substrate after 3 mins by spectrophotometry
50034400	2	ChEMBL_799591 (CHEMBL1941297)	Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry
50034400	3	ChEMBL_799592 (CHEMBL1941298)	Inhibition of human GSTP1-1 using GSH as substrate after 3 mins by spectrophotometry
50034400	4	ChEMBL_799595 (CHEMBL1941301)	Competitive inhibition of human GSTM1 using GSH as substrate by Lineweaver-Burk plot analysis
50034400	5	ChEMBL_799596 (CHEMBL1941302)	Noncompetitive inhibition of human GSTM1 using CDNB as substrate by Lineweaver-Burk plot analysis
50034401	1	ChEMBL_799677 (CHEMBL1941383)	Inhibition of human recombinant N-terminal GST-tagged JAK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay
50034401	2	ChEMBL_799678 (CHEMBL1941384)	Inhibition of human recombinant N-terminal GST-tagged JAK1 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay
50034401	4	ChEMBL_799755 (CHEMBL1941461)	Inhibition of JAK2 in human whole blood assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challenge measured after 15 mins by intracellular phosflow staining
50034401	6	ChEMBL_799679 (CHEMBL1941385)	Inhibition of human recombinant N-terminal GST-tagged JAK3 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay
50034401	7	ChEMBL_799680 (CHEMBL1941386)	Inhibition of human recombinant N-terminal GST-tagged TYK2 expressed in Sf9 cells using Biotin-LC-EQEDEPEGDYFEWLE as substrate after 90 mins by TR-FRET assay
50034401	8	ChEMBL_799684 (CHEMBL1941390)	Inhibition of TEL-fused JAK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay
50034401	9	ChEMBL_799685 (CHEMBL1941391)	Inhibition of TEL-fused JAK1 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay
50034401	10	ChEMBL_799686 (CHEMBL1941392)	Inhibition of TEL-fused JAK3 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay
50034401	11	ChEMBL_799687 (CHEMBL1941393)	Inhibition of TEL-fused TYK2 expressed in Ba/F3 cells assessed as inhibition of STAT5 phosphorylation after 60 mins by AlphaScreen assay
50034401	12	ChEMBL_799752 (CHEMBL1941458)	Inhibition of JAK2 in human PBMC assessed as inhibition of TPO-stimulated STAT5 phosphorylation preincubated for 30 mins prior to TPO challenge measured after 15 mins by intracellular phosflow staining
50049118	5	ChEMBL_1653840 (CHEMBL4003206)	Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50034402	1	ChEMBL_799760 (CHEMBL1941466)	Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene
50034402	2	ChEMBL_799761 (CHEMBL1941467)	Inhibition of RSK2 phosphorylation by luminescence assay
50034403	1	ChEMBL_799841 (CHEMBL1941547)	Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 protein by calcium flux assay
50034403	2	ChEMBL_799839 (CHEMBL1941545)	Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
50034404	1	ChEMBL_799914 (CHEMBL1941620)	Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay
50034404	2	ChEMBL_799851 (CHEMBL1941557)	Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
50034405	1	ChEMBL_800033 (CHEMBL1941739)	Inhibition of FLT3 by colorimetric analysis
50034405	2	ChEMBL_800034 (CHEMBL1941740)	Inhibition of GSK3-beta by colorimetric analysis
50034406	1	ChEMBL_800100 (CHEMBL1941991)	Agonist activity at human CCR1 expressed in CHO cells by cellular dielectric spectroscopy
50034407	1	ChEMBL_799032 (CHEMBL1941891)	Inhibition of human recombinant CAMK2delta using tetramethylbenzidine as substrate by spectrophotometry analysis
50034408	1	ChEMBL_799035 (CHEMBL1941894)	Inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins measured after 150 secs by modified Cd-ninhydrin method
50034408	2	ChEMBL_799034 (CHEMBL1941893)	Competitive inhibition of Enterococcus faecium VanX overexpressed in Escherichia coli BL21 (DE3) cells using D-ala-D-ala as substrate preincubated for 3 mins measured after 150 secs by modified Cd-ninhydrin method
50034409	1	ChEMBL_799042 (CHEMBL1941901)	Inhibition of N-terminal histidine-tagged PPM1Dc after 10 mins using BIOMOL GREEN assay
50034410	1	ChEMBL_799539 (CHEMBL1941245)	Inhibition of human aromatase using dibenzylfluorescein as substrate preincubated for 30 mins measured after 2 hrs by fluorimetry
50034411	1	ChEMBL_799100 (CHEMBL1942041)	Antagonist activity at CXCR3 assessed as inhibition of ITAC-mediated cell migration in presence of 100% human serum
50034411	2	ChEMBL_799099 (CHEMBL1942040)	Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serum
50034411	3	ChEMBL_799098 (CHEMBL1942039)	Displacement of [125I]-IP-10 from CXCR3
50034411	4	ChEMBL_799720 (CHEMBL1941426)	Receptor occupancy of CXCR3 in human whole blood assessed as inhibition of ITAC binding by fluorescence quenching based FACS analysis
50034411	5	ChEMBL_799721 (CHEMBL1941427)	Receptor occupancy of CXCR3 in mouse whole blood assessed as inhibition of ITAC binding by fluorescence quenching based FACS analysis
50034411	6	ChEMBL_799726 (CHEMBL1941432)	Inhibition of CYP3A4
50034411	7	ChEMBL_799706 (CHEMBL1941412)	Inhibition of CYP2D6
50034412	1	ChEMBL_799943 (CHEMBL1941649)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 180 mins by solid scintillation counting
50034412	2	ChEMBL_799951 (CHEMBL1941657)	Binding affinity to EBP
50049119	1	ChEMBL_1653857 (CHEMBL4003223)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by spectrophotometry based Ellman method
50049119	2	ChEMBL_1653859 (CHEMBL4003225)	Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by spectrophotometry based Ellman method
50034412	5	ChEMBL_799948 (CHEMBL1941654)	Binding affinity to kappa opioid receptor
50034412	6	ChEMBL_799947 (CHEMBL1941653)	Binding affinity to mu opioid receptor
50049119	3	ChEMBL_1653858 (CHEMBL4003224)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by spectrophotometry based Ellman method
50034413	2	ChEMBL_799628 (CHEMBL1941334)	Binding affinity to Escherichia coli metJ assessed as protein dimer-DNA complex formation using F-metC operator DNA by fluorescence anisotropy
50034414	1	ChEMBL_799867 (CHEMBL1941573)	Binding affinity to Vibrio harveyi CFP/YFP-tagged LuxP receptor assessed as decrease in FRET ratio
50034414	2	ChEMBL_799868 (CHEMBL1941574)	Agonist activity at Vibrio harveyi MM32 LuxP receptor assessed as induction of bioluminescence after 5 hrs 30 mins
50034414	3	ChEMBL_799869 (CHEMBL1941575)	Antagonist activity at Vibrio harveyi MM32 LuxP receptor assessed as decrease in receptor agonist DPD-induced bioluminescence after 5 hrs 30 mins
50034414	4	ChEMBL_799871 (CHEMBL1941577)	Agonist activity at Vibrio harveyi LuxP receptor
50034415	1	ChEMBL_797299 (CHEMBL1942791)	Displacement of [3H]cAMP from human recombinant PDE10A1 by competitive binding assay
50034415	3	ChEMBL_797286 (CHEMBL1942778)	Displacement of [3H]cAMP from PDE11A3 by competitive binding assay
50034415	4	ChEMBL_797284 (CHEMBL1942685)	Displacement of [3H]cAMP from PDE1A3 by competitive binding assay
50034415	5	ChEMBL_797285 (CHEMBL1942777)	Displacement of [3H]cAMP from PDE2A by competitive binding assay
50034415	6	ChEMBL_798763 (CHEMBL1942898)	Displacement of [3H]cAMP from PDE3A by competitive binding assay
50034415	7	ChEMBL_798764 (CHEMBL1942899)	Displacement of [3H]cAMP from PDE4B2 by competitive binding assay
50034415	8	ChEMBL_798762 (CHEMBL1942897)	Displacement of [3H]cAMP from PDE7A1 by competitive binding assay
50034415	9	ChEMBL_798761 (CHEMBL1942896)	Displacement of [3H]cAMP from PDE8A1 by competitive binding assay
50034415	10	ChEMBL_798760 (CHEMBL1942895)	Displacement of [3H]cAMP from PDE9A1 by competitive binding assay
50034416	1	ChEMBL_798813 (CHEMBL1943689)	Inhibition of human ERG
50049119	4	ChEMBL_1653860 (CHEMBL4003226)	Non-competitive inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by Lineweaver-burk plot analysis
50049120	1	ChEMBL_1653957 (CHEMBL4003323)	Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins by Dixon plot method
50049120	2	ChEMBL_1653955 (CHEMBL4003321)	Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins by Dixon plot method
50049120	3	ChEMBL_1653961 (CHEMBL4003327)	Inhibition of human plasma AChE using acetyl-(beta-methyl)thiocholine as substrate preincubated for 30 mins followed by substrate addition measured after 25 mins by spectrophotometric method
50049120	4	ChEMBL_1653962 (CHEMBL4003328)	Inhibition of human erythrocyte BChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured after 25 mins by spectrophotometric method
50049120	5	ChEMBL_1653956 (CHEMBL4003322)	Uncompetitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins by Cornish-Bowden plot method
50034416	7	ChEMBL_797356 (CHEMBL1942932)	Inhibition of CYP2C9
50034417	1	ChEMBL_797392 (CHEMBL1942968)	Inhibition of MMP3 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	2	ChEMBL_797393 (CHEMBL1943056)	Inhibition of MMP19 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	3	ChEMBL_798829 (CHEMBL1943705)	Inhibition of MMP2 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	4	ChEMBL_798828 (CHEMBL1943704)	Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	6	ChEMBL_798834 (CHEMBL1943710)	Inhibition of MMP12 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	7	ChEMBL_797391 (CHEMBL1942967)	Inhibition of MMP1 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50034417	8	ChEMBL_797386 (CHEMBL1942962)	Inhibition of human ERG
50049120	6	ChEMBL_1653958 (CHEMBL4003324)	Uncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins by Cornish-Bowden plot method
50034418	1	ChEMBL_797419 (CHEMBL1943082)	Binding affinity to N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 after 5 hrs by fluorescence analysis
50034418	2	ChEMBL_797420 (CHEMBL1943083)	Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF assay
50034418	3	ChEMBL_797421 (CHEMBL1943084)	Inhibition of p38alpha-mediated MK2 phosphorylation in anisomysin-stimulated human HeLa cells after 2 hrs by immunoblot analysis
50034419	1	ChEMBL_797472 (CHEMBL1943215)	Inhibition of human MK2
50034420	1	ChEMBL_797475 (CHEMBL1943218)	Binding affinity to Bcl-xL by competitive fluorescence polarization assay
50034420	2	ChEMBL_797476 (CHEMBL1943219)	Binding affinity to Bcl-2 by competitive fluorescence polarization assay
50034420	3	ChEMBL_797477 (CHEMBL1943220)	Binding affinity to Mcl-1 by competitive fluorescence polarization assay
50034421	1	ChEMBL_797551 (CHEMBL1943467)	Inhibition of T-type calcium channel alpha 1 G
50034421	2	ChEMBL_797552 (CHEMBL1943468)	Inhibition of N-type calcium channel alpha 1 B
50034423	2	ChEMBL_797760 (CHEMBL1944119)	Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50034423	3	ChEMBL_797761 (CHEMBL1944120)	Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50034424	1	ChEMBL_797937 (CHEMBL1942718)	Inhibition of MK2 using TAMRA-labeled peptide as substrate pre-incubated for 30 mins prior substrate addition measured after 30 mins incubation in dark using fluorescence polarization assay
50034424	2	ChEMBL_797938 (CHEMBL1942719)	Inhibition of MK2-mediated HSP27 phosphorylation at Ser78 in LPS-stimulated human THP-1 cells pre-incubated for 60 mins before LPS treatment measured after 60 mins
50034425	1	ChEMBL_798051 (CHEMBL1943106)	Inhibition of PTP1B assessed as para-nitrophenyl phosphate catalyzed hydrolysis of para-nitrophenol by p-NPP assay
50034425	2	ChEMBL_798052 (CHEMBL1943107)	Inhibition of TCPTP
50034426	1	ChEMBL_798167 (CHEMBL1943384)	Inhibition of COX-2
50034427	1	ChEMBL_798253 (CHEMBL1943640)	Binding affinity to human histamine H4 receptor
50034427	2	ChEMBL_798256 (CHEMBL1943643)	Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding assay
50034427	3	ChEMBL_798257 (CHEMBL1943644)	Antagonist activity at human histamine H4 receptor expressed in HEK293 cells assessed as rev inhibition of forskolin-stimulated cAMP accumulation by CRE-betalactamase reporter gene assay
50034427	4	ChEMBL_798258 (CHEMBL1943645)	Binding affinity to human histamine H3 receptor
50034428	1	ChEMBL_798461 (CHEMBL1944310)	Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay
50034429	1	ChEMBL_798646 (CHEMBL1942635)	Inhibition of BRAF by high-throughput assay
50034430	1	ChEMBL_798647 (CHEMBL1942636)	Displacement of [125I]CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter
50034430	2	ChEMBL_798648 (CHEMBL1942637)	Displacement of [125I]CRF from rat CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counter
50034430	3	ChEMBL_798649 (CHEMBL1942638)	Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as CRF-stimulated cAMP accumulation by enzyme immunoassay
50034430	4	ChEMBL_798650 (CHEMBL1942730)	Antagonist activity at rat CRF1 receptor expressed in CHO-K1 cells assessed as CRF-stimulated cAMP accumulation by enzyme immunoassay
50034431	1	ChEMBL_797690 (CHEMBL1943910)	Inhibition of human Erg
50034432	1	ChEMBL_797692 (CHEMBL1943912)	Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium level after 1.5 to 2 hrs by luminometry analysis
50034432	2	ChEMBL_797691 (CHEMBL1943911)	Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting
50034433	1	ChEMBL_797803 (CHEMBL1944259)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034433	2	ChEMBL_797807 (CHEMBL1944263)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034433	3	ChEMBL_797808 (CHEMBL1944264)	Antagonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034433	4	ChEMBL_797809 (CHEMBL1944265)	Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034433	5	ChEMBL_797810 (CHEMBL1944266)	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034433	6	ChEMBL_797811 (CHEMBL1944267)	Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence assay
50034434	1	ChEMBL_797845 (CHEMBL1942431)	Inhibition of mTOR
50034434	2	ChEMBL_797846 (CHEMBL1942432)	Inhibition of PI3Kalpha
50034434	3	ChEMBL_797848 (CHEMBL1942434)	Inhibition of mTOR-mediated p70S6K phosphorylation at Thr389 in human PC3 cells
50034435	1	ChEMBL_797953 (CHEMBL1942830)	Antagonist activity at human NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by TR-FRET assay
50034435	2	ChEMBL_797952 (CHEMBL1942829)	Displacement of [125]-hNPW23 from human NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay
50034435	3	ChEMBL_797951 (CHEMBL1942828)	Antagonist activity at mouse NPBWR1 expressed in CHO-K1 cells assessed as inhibition of hNPW23 and forskolin-stimulated cAMP production after 1 hr by TR-FRET assay
50034435	4	ChEMBL_797950 (CHEMBL1942827)	Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay
50034436	1	ChEMBL_797956 (CHEMBL1942833)	Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-8 production
50034436	2	ChEMBL_797958 (CHEMBL1942835)	Transactivation of glucocorticoid receptor in rat H42E cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruvate
50034436	3	ChEMBL_797960 (CHEMBL1942837)	Transactivation of glucocorticoid receptor in human HepG2 cells assessed as induction of TAT measuring degradation of tyrosine to p-hydroxy phenyl pyruvate
50034436	4	ChEMBL_798061 (CHEMBL1943116)	Inhibition of human progesterone receptor
50034436	5	ChEMBL_798062 (CHEMBL1943117)	Inhibition of human glucocorticoid receptor
50034437	1	ChEMBL_798403 (CHEMBL1944151)	Inhibition of VEGFR-2 after 1 hr by fluorescence polarization assay
50034438	1	ChEMBL_798474 (CHEMBL1944323)	Inhibition of GSK3-beta
50034439	1	ChEMBL_797725 (CHEMBL1944084)	Inhibition of AKT-1
50034439	2	ChEMBL_797726 (CHEMBL1944085)	Inhibition of human recombinant full-length FAK using ATP and Poly Glu:Tyr as substrate after 4 hrs by luminescence analysis
50034440	1	ChEMBL_797827 (CHEMBL1942413)	Inhibition of rabbit muscle glycogen phosphorylase a assessed as release of phosphate from glucose-1-phosphate after 25 mins using malachite green staining
50034441	1	ChEMBL_797829 (CHEMBL1942415)	Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis
50034441	2	ChEMBL_797830 (CHEMBL1942416)	Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis
50034442	1	ChEMBL_797873 (CHEMBL1942560)	Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells
50034442	2	ChEMBL_797874 (CHEMBL1942561)	Displacement of [3H]diprenorphine from rat MOPR expressed in CHO cells
50034442	3	ChEMBL_797872 (CHEMBL1942559)	Agonist activity at human KOPR expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50034442	4	ChEMBL_797843 (CHEMBL1942429)	Agonist activity at human KOPR expressed in U2OS cells assessed as beta-arrestin2 recruitment after 90 mins by DiscoveRx PathHunter assay
50034443	1	ChEMBL_797884 (CHEMBL1942571)	Competitive inhibition of Neisseria meningitidis serotype B strain MC58 ATCC BAA355 KDO8P synthase expressed in Escherichia coli BL21 (DE3) cells using PEP as substrate after 10 to 15 mins by Michaelis-Menten equation
50049120	7	ChEMBL_1653963 (CHEMBL4003329)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Ellman's method
50049121	1	ChEBML_1654011	Inhibition of DYRK1B (unknown origin)
50049121	2	ChEBML_1654010	Inhibition of DYRK1A (unknown origin)
50049121	3	ChEBML_1654007	Inhibition of human GSK3beta using Biotin-labeled GSP-2 peptide substrate after 90 mins in presence of [gamma33-P]ATP by scintillation proximity assay
50049121	4	ChEBML_1654003	Inhibition of CHK2 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50049121	5	ChEBML_1654002	Inhibition of CHK1 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50049121	6	ChEBML_1654001	Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50049121	7	ChEBML_1654000	Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate addition by pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50049121	8	ChEBML_1653999	Binding affinity to recombinant human CLK4 (R135 to K481 residues) expressed in bacterial expression system by KinomeScan assay
50049121	9	ChEBML_1653997	Binding affinity to recombinant human CLK2 (D144 to R498 residues) expressed in bacterial expression system by KinomeScan assay
50049121	13	ChEMBL_1653995 (CHEMBL4003361)	Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50049121	17	ChEMBL_1653992 (CHEMBL4003358)	Inhibition of CDK9/CyclinT (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50049121	12	ChEMBL_1653996 (CHEMBL4003362)	Binding affinity to full length recombinant human CLK1 (M1 to I484 residues) expressed in bacterial expression system by KinomeScan assay
50049121	18	ChEMBL_1653991 (CHEMBL4003357)	Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50049121	11	ChEMBL_1653993 (CHEMBL4003359)	Inhibition of GSK3 alpha/beta (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50034445	4	ChEMBL_797976 (CHEMBL1942853)	Antagonist activity at partially inactivated human sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay
50034445	5	ChEMBL_797977 (CHEMBL1942854)	Displacement of dofetilide from human ERG
50034446	1	ChEMBL_798079 (CHEMBL1943134)	Inhibition of SCD-1 activity in rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting
50034446	2	ChEMBL_798080 (CHEMBL1943135)	Inhibition of SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting
50034446	3	ChEMBL_798081 (CHEMBL1943136)	Inhibition of SCD-1 activity in rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting
50034446	4	ChEMBL_798084 (CHEMBL1943139)	Inhibition of human delta-5 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer
50034446	5	ChEMBL_798085 (CHEMBL1943140)	Inhibition of human delta-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer
50034446	6	ChEMBL_798097 (CHEMBL1943234)	Inhibition of mouse SCD-1
50034446	7	ChEMBL_798100 (CHEMBL1943237)	Inhibition of human SCD-1
50034446	8	ChEMBL_798101 (CHEMBL1943238)	Inhibition of human SCD-5
50034447	1	ChEMBL_798318 (CHEMBL1943806)	Agonist activity at human HM74A
50034447	2	ChEMBL_798319 (CHEMBL1943807)	Agonist activity at rat nicotinic acid receptor
50034448	1	ChEMBL_798594 (CHEMBL1942485)	Inhibition of alpha-glucosidase activity of maltase in rat small intestinal brush border membrane fraction using maltose as substrate after 30 mins
50034448	2	ChEMBL_798596 (CHEMBL1942487)	Inhibition of alpha-glucosidase activity of sucrase in rat small intestinal brush border membrane fraction using maltose as substrate after 30 mins
50034448	3	ChEMBL_798598 (CHEMBL1942489)	Inhibition of rat lens aldose reductase using DL-glyceraldehyde as substrate after 30 mins by fluorescence microplate reader analysis
50034449	1	ChEMBL_797428 (CHEMBL1943091)	Inhibition of COX2 assessed as inhibition of PGE2 production using arachidonic acid as substrate after 10 mins by ELISA
50034450	1	ChEMBL_797435 (CHEMBL1943098)	Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells
50034450	2	ChEMBL_797433 (CHEMBL1943096)	Inhibition of human recombinant N-terminus FLAG-tagged DGAT2 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis
50034450	3	ChEMBL_797432 (CHEMBL1943095)	Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis
50034451	1	ChEMBL_797513 (CHEMBL1943343)	Agonist activity at rat GPR40
50034451	2	ChEMBL_797514 (CHEMBL1943344)	Agonist activity at mouse GPR40
50034451	3	ChEMBL_797511 (CHEMBL1943341)	Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay
50034452	1	ChEMBL_797630 (CHEMBL1943748)	Displacement of [3H]methyllycaconitine from nAChR alpha7 receptor
50034453	1	ChEMBL_798419 (CHEMBL1944167)	Inhibition of CK1delta
50034453	2	ChEMBL_797637 (CHEMBL1943755)	Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay
50049121	15	ChEMBL_1653989 (CHEMBL4003355)	Inhibition of human DYRK1A preincubated for 10 mins followed by YRASPSRPESPRPPA-amide substrate addition by pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50049121	16	ChEMBL_1653990 (CHEMBL4003356)	Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50049121	19	ChEMBL_1654001 (CHEMBL4003367)	Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50049121	20	ChEMBL_1653997 (CHEMBL4003363)	Binding affinity to recombinant human CLK2 (D144 to R498 residues) expressed in bacterial expression system by KinomeScan assay
50049121	14	ChEMBL_1653998 (CHEMBL4003364)	Binding affinity to full length recombinant human CLK3 (M1 to R490 residues) expressed in bacterial expression system by KinomeScan assay
50049122	1	ChEMBL_1654033 (CHEMBL4003399)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence assay
50049122	2	ChEMBL_1654034 (CHEMBL4003400)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence assay
50049122	3	ChEMBL_1654012 (CHEMBL4003378)	Inhibition of AChE in rat brain cortex homogenates using acetylthiocholine iodide as substrate in presence of BuChE inhibitor tetraisopropyl pyrophosphoramide measured after 15 mins by Ellman's method
50049122	4	ChEMBL_1654039 (CHEMBL4003405)	Inhibition of BuChE in rat serum using butyrylthiocholine as substrate measured after 15 mins by Ellman's method
50049122	5	ChEMBL_1654014 (CHEMBL4003380)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50049122	6	ChEMBL_1654013 (CHEMBL4003379)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50034455	1	ChEMBL_797907 (CHEMBL1942688)	Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP
50034455	2	ChEMBL_797906 (CHEMBL1942687)	Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP
50034455	3	ChEMBL_797905 (CHEMBL1942686)	Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP
50034455	4	ChEMBL_797904 (CHEMBL1942591)	Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP
50034456	1	ChEMBL_798525 (CHEMBL1942322)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50034456	2	ChEMBL_798527 (CHEMBL1942324)	Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay
50034457	5	ChEMBL_798533 (CHEMBL1942330)	Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spectrometric analysis
50049122	7	ChEMBL_1654016 (CHEMBL4003382)	Mixed-type inhibition of Electrophorus electricus AChE pretreated for 15 mins followed by varying levels of acetylthiocholine iodide substrate addition by Lineweaver-Burk plot analysis
50049123	1	ChEMBL_1654041 (CHEMBL4003407)	Inhibition of human thrombin preincubated for 10 mins followed by Ac-FVR-AMC substrate addition measured every 20s for 10 mins by fluorescence assay
50034458	1	ChEMBL_797753 (CHEMBL1944112)	Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting
50034458	2	ChEMBL_797754 (CHEMBL1944113)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting
50034458	3	ChEMBL_797755 (CHEMBL1944114)	Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintillation counting
50034458	4	ChEMBL_797756 (CHEMBL1944115)	Displacement of [3H]mesulergine from rat 5HT2C receptor by liquid scintillation counting
50034458	5	ChEMBL_797757 (CHEMBL1944116)	Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation counting
50034458	6	ChEMBL_797758 (CHEMBL1944117)	Displacement of [3H]pyrilamine from human H1 receptor by liquid scintillation counting
50034458	7	ChEMBL_797759 (CHEMBL1944118)	Displacement of [3H]clonidine from human Alpha-2C receptor by liquid scintillation counting
50034458	8	ChEMBL_797995 (CHEMBL1942971)	Displacement of [3H]QNB from human M1 receptor by liquid scintillation counting
50034458	9	ChEMBL_797752 (CHEMBL1944111)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting
50034458	10	ChEMBL_797751 (CHEMBL1944110)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
50034459	1	ChEMBL_798002 (CHEMBL1942978)	Binding affinity to human V1b receptor
50034459	2	ChEMBL_798003 (CHEMBL1942979)	Binding affinity to human vasopressin V2 receptor
50034459	3	ChEMBL_798001 (CHEMBL1942977)	Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter
50034460	1	ChEMBL_798012 (CHEMBL1942988)	Inhibition of BuChE
50034460	2	ChEMBL_798010 (CHEMBL1942986)	Inhibition of AChE in rat brain cortical homogenate
50034460	3	ChEMBL_798011 (CHEMBL1942987)	Inhibition of AChE
50034462	3	ChEMBL_797283 (CHEMBL1942684)	Inhibition of rat lens aldose reductase
50034463	1	ChEMBL_800317 (CHEMBL1948067)	Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carboxy-1-oxobutan-2-ylamino)-4-carboxy-1-oxobutan-2-ylcarbamoyl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxobutan-2-ylcarbamoyl)-4-(3,4-dimethoxybenzylideneaminooxy)pyrrolidin-1-yl)-5-oxopentanoic acid from human Tsg101 after 30 mins by Fluorescence anisotropy assay
50034463	2	ChEMBL_800319 (CHEMBL1948069)	Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method
50034463	3	ChEMBL_800321 (CHEMBL1948167)	Binding affinity to Tsg101
50049124	1	ChEMBL_1654045 (CHEMBL4003411)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 60 to 300 secs by Ellman's method
50034464	2	ChEMBL_800325 (CHEMBL1948171)	Inhibition of COX2
50034465	1	ChEMBL_800332 (CHEMBL1948178)	Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay
50034465	2	ChEMBL_800330 (CHEMBL1948176)	Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in 0.1 M phosphate buffer by isothermal titration calorimetric assay
50034465	3	ChEMBL_800329 (CHEMBL1948175)	Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 4 in 0.1 M NaAc by isothermal titration calorimetric assay
50034465	4	ChEMBL_800328 (CHEMBL1948174)	Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 9 in 0.1 M Tris by isothermal titration calorimetric assay
50034465	5	ChEMBL_800331 (CHEMBL1948177)	Competitive inhibition of chicken riboflavin binding protein by surface plasmon resonance assay
50034465	6	ChEMBL_800333 (CHEMBL1948179)	Binding affinity to chicken riboflavin binding protein by surface plasmon resonance assay
50034466	1	ChEMBL_800346 (CHEMBL1948192)	Inhibition of ALK
50034467	1	ChEMBL_800271 (CHEMBL1947938)	Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis
50034468	1	ChEMBL_800951 (CHEMBL1948678)	Inhibition of ovine COX1 by EIA
50034468	3	ChEMBL_800279 (CHEMBL1948029)	Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA
50034469	1	ChEMBL_801030 (CHEMBL1948804)	Inhibition of mTOR
50034469	2	ChEMBL_801031 (CHEMBL1948805)	Inhibition of PI3Kalpha
50034469	3	ChEMBL_801033 (CHEMBL1948807)	Inhibition of GSK3alpha
50034469	4	ChEMBL_801201 (CHEMBL1949072)	Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells
50034469	5	ChEMBL_801202 (CHEMBL1949073)	Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells
50034470	1	ChEMBL_801285 (CHEMBL1947834)	Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay
50034470	2	ChEMBL_801287 (CHEMBL1947836)	Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay
50034470	3	ChEMBL_801289 (CHEMBL1947838)	Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay
50034470	4	ChEMBL_800398 (CHEMBL1948329)	Inhibition of CYP2D6
50034470	5	ChEMBL_800399 (CHEMBL1948330)	Inhibition of CYP3A4
50034470	6	ChEMBL_800400 (CHEMBL1948331)	Inhibition of CYP2C8
50034470	7	ChEMBL_800401 (CHEMBL1948332)	Inhibition of CYP2C9
50034470	8	ChEMBL_801271 (CHEMBL1947820)	Binding affinity to human PPARgamma by scintillation proximity assay
50034470	9	ChEMBL_801283 (CHEMBL1947832)	Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay
50034470	10	ChEMBL_801272 (CHEMBL1947821)	Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay
50034470	11	ChEMBL_801274 (CHEMBL1947823)	Binding affinity to human PPARalpha expressed in COS-1 by scintillation proximity assay
50034470	12	ChEMBL_801275 (CHEMBL1947824)	Binding affinity to PPARdelta by scintillation proximity assay
50034471	1	ChEMBL_800418 (CHEMBL1948349)	Inhibition of KIT
50034471	2	ChEMBL_800417 (CHEMBL1948348)	Inhibition of FGFR1
50034471	3	ChEMBL_800416 (CHEMBL1948347)	Inhibition of FLT3
50034471	4	ChEMBL_800415 (CHEMBL1948346)	Inhibition of PDGFRb
50034471	5	ChEMBL_800414 (CHEMBL1948345)	Inhibition of KDR
50034471	6	ChEMBL_800413 (CHEMBL1948344)	Inhibition of PLK3
50034472	1	ChEMBL_800636 (CHEMBL1947668)	Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion
50034473	1	ChEMBL_800731 (CHEMBL1947974)	Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as potentiation of ethionamide-induced antitubercular activity after 5 days by SYTO60-based fluorescence microscopy
50034473	2	ChEMBL_800730 (CHEMBL1947973)	Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay
50034474	1	ChEMBL_800764 (CHEMBL1948100)	Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21 cells using pyridine-3-aldehyde as substrate by spectrophotometry
50049124	2	ChEMBL_1654044 (CHEMBL4003410)	Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 60 to 300 secs by Ellman's method
50034474	3	ChEMBL_800762 (CHEMBL1948098)	Inhibition of human recombinant AKR1A1 expressed in Escherichia coli BL21 cells using D-glucuronate as substrate by spectrophotometry
50034475	1	ChEMBL_800769 (CHEMBL1948105)	Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay
50034475	2	ChEMBL_800770 (CHEMBL1948106)	Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay
50034476	1	ChEMBL_800773 (CHEMBL1948220)	Inhibition of MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins measured after 10 mins by fluorescence analysis
50034476	2	ChEMBL_800774 (CHEMBL1948221)	Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins measured after 10 mins by fluorescence analysis
50034476	4	ChEMBL_800776 (CHEMBL1948223)	Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins measured after 10 mins by fluorescence analysis
50034477	1	ChEMBL_800825 (CHEMBL1948377)	Displacement of [3H]WIN-35,428 from human DAT expressed in N2A cells after 15 mins by photoaffinity labeling
50034478	1	ChEMBL_801146 (CHEMBL1948973)	Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry
50034478	2	ChEMBL_801147 (CHEMBL1948974)	Inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry
50034478	3	ChEMBL_801148 (CHEMBL1948975)	Inhibition of human PTP1B expressed in Escherichia coli BL21 DE3 using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry
50034478	4	ChEMBL_801151 (CHEMBL1948978)	Competitive inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot analysis
50034478	5	ChEMBL_801141 (CHEMBL1948968)	Inhibition of Mycobacterium tuberculosis PTP-A
50034478	6	ChEMBL_801143 (CHEMBL1948970)	Competitive inhibition of Mycobacterium tuberculosis H37Rv PTP-B expressed in Escherichia coli DE3 using p-nitrophenyl phosphate as substrate preincubated for 10 mins prior substrate addition measured after 5 mins by Lineweaver-Burk plot analysis
50034478	7	ChEMBL_801152 (CHEMBL1948979)	Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot analysis
50034479	1	ChEMBL_801233 (CHEMBL1947296)	Inhibition of ALK using ATP as substrate
50034479	2	ChEMBL_801234 (CHEMBL1947297)	Inhibition of Aurora A using ATP as substrate
50034479	3	ChEMBL_801235 (CHEMBL1947298)	Inhibition of AXL using ATP as substrate
50034479	4	ChEMBL_801237 (CHEMBL1947300)	Inhibition of cABL using ATP as substrate
50034479	6	ChEMBL_801292 (CHEMBL1947841)	Inhibition of CDK2 using ATP as substrate
50034479	7	ChEMBL_801294 (CHEMBL1947843)	Inhibition of CK1alpha using ATP as substrate
50034479	8	ChEMBL_801295 (CHEMBL1947844)	Inhibition of cKIT using ATP as substrate
50034479	9	ChEMBL_801296 (CHEMBL1947845)	Inhibition of cMET using ATP as substrate
50034479	10	ChEMBL_801297 (CHEMBL1947846)	Inhibition of COT1 using ATP as substrate
50034479	11	ChEMBL_801298 (CHEMBL1947847)	Inhibition of CSK using ATP as substrate
50034479	12	ChEMBL_801299 (CHEMBL1947848)	Inhibition of cSRC using ATP as substrate
50034479	13	ChEMBL_801300 (CHEMBL1947849)	Inhibition of EphA4 using ATP as substrate
50034479	14	ChEMBL_801301 (CHEMBL1947850)	Inhibition of EphB4 using ATP as substrate
50034479	15	ChEMBL_801302 (CHEMBL1947851)	Inhibition of ERK2 using ATP as substrate
50034479	16	ChEMBL_801303 (CHEMBL1947852)	Inhibition of FAK using ATP as substrate
50034479	17	ChEMBL_801304 (CHEMBL1947853)	Inhibition of FGFR1 using ATP as substrate
50034479	18	ChEMBL_801305 (CHEMBL1947854)	Inhibition of FGFR2 using ATP as substrate
50034479	20	ChEMBL_801307 (CHEMBL1947856)	Inhibition of FGFR3 kinase domain using ATP as substrate
50034479	21	ChEMBL_801308 (CHEMBL1947857)	Inhibition of FGFR4 using ATP as substrate
50034479	22	ChEMBL_801309 (CHEMBL1947858)	Inhibition of PKBalpha using ATP as substrate
50034479	24	ChEMBL_801311 (CHEMBL1947860)	Inhibition of PKCtheta using ATP as substrate
50034479	25	ChEMBL_801312 (CHEMBL1947861)	Inhibition of PKN1 using ATP as substrate
50034479	26	ChEMBL_801313 (CHEMBL1947862)	Inhibition of PKN2 using ATP as substrate
50034479	27	ChEMBL_801314 (CHEMBL1947863)	Inhibition of PLK1 using ATP as substrate
50034479	28	ChEMBL_801315 (CHEMBL1947864)	Inhibition of RET using ATP as substrate
50034479	31	ChEMBL_801319 (CHEMBL1947868)	Inhibition of SYK using ATP as substrate
50034479	32	ChEMBL_801320 (CHEMBL1947869)	Inhibition of TYK2 using ATP as substrate
50034479	33	ChEMBL_801321 (CHEMBL1947870)	Inhibition of VPS34 using ATP as substrate
50034479	34	ChEMBL_801322 (CHEMBL1947871)	Inhibition of WNK1 using ATP as substrate
50034479	35	ChEMBL_801323 (CHEMBL1947872)	Inhibition of YES using ATP as substrate
50034479	36	ChEMBL_801324 (CHEMBL1947873)	Inhibition of ZAP70 using ATP as substrate
50034479	37	ChEMBL_801377 (CHEMBL1948022)	Inhibition of GSK3-beta using ATP as substrate
50034479	38	ChEMBL_801378 (CHEMBL1948023)	Inhibition of PIM2 using ATP as substrate
50034479	39	ChEMBL_801379 (CHEMBL1948109)	Inhibition of FYN using ATP as substrate
50034479	40	ChEMBL_801380 (CHEMBL1948110)	Inhibition of FLT3 using ATP as substrate
50034479	41	ChEMBL_801381 (CHEMBL1948111)	Inhibition of PI4Kbeta using ATP as substrate
50034479	42	ChEMBL_801382 (CHEMBL1948112)	Inhibition of PI3Kgamma using ATP as substrate
50034479	43	ChEMBL_801389 (CHEMBL1948119)	Inhibition of HCK using ATP as substrate
50034479	44	ChEMBL_801390 (CHEMBL1948120)	Inhibition of HER1 using ATP as substrate
50034479	45	ChEMBL_801391 (CHEMBL1948121)	Inhibition of HER2 using ATP as substrate
50034479	47	ChEMBL_801393 (CHEMBL1948123)	Inhibition of IGF1R using ATP as substrate
50034479	49	ChEMBL_801395 (CHEMBL1948125)	Inhibition of IRAK4 using ATP as substrate
50034479	50	ChEMBL_801396 (CHEMBL1948126)	Inhibition of JAK1 using ATP as substrate
50034479	51	ChEMBL_801397 (CHEMBL1948127)	Inhibition of JAK2 using ATP as substrate
50034479	52	ChEMBL_801398 (CHEMBL1948128)	Inhibition of JAK3 using ATP as substrate
50034479	53	ChEMBL_801399 (CHEMBL1948129)	Inhibition of KDR using ATP as substrate
50034479	54	ChEMBL_801400 (CHEMBL1948130)	Inhibition of LCK using ATP as substrate
50034479	55	ChEMBL_801401 (CHEMBL1948131)	Inhibition of LYN using ATP as substrate
50034479	56	ChEMBL_801402 (CHEMBL1948132)	Inhibition of MK2 using ATP as substrate
50034479	57	ChEMBL_801403 (CHEMBL1948133)	Inhibition of MK5 using ATP as substrate
50034479	58	ChEMBL_801404 (CHEMBL1948134)	Inhibition of mTOR using ATP as substrate
50034479	59	ChEMBL_801405 (CHEMBL1948135)	Inhibition of p38alpha using ATP as substrate
50034479	60	ChEMBL_801406 (CHEMBL1948136)	Inhibition of PAK2 using ATP as substrate
50034479	61	ChEMBL_801407 (CHEMBL1948137)	Inhibition of PDGFRalpha using ATP as substrate
50034479	62	ChEMBL_800426 (CHEMBL1948357)	Inhibition of PI3Kalpha using ATP as substrate
50034479	63	ChEMBL_800427 (CHEMBL1948358)	Inhibition of PI3Kbeta using ATP as substrate
50034479	64	ChEMBL_800428 (CHEMBL1948359)	Inhibition of PI3Kdelta using ATP as substrate
50034479	65	ChEMBL_800429 (CHEMBL1948360)	Inhibition of PIM1 using ATP as substrate
50034479	66	ChEMBL_800430 (CHEMBL1948361)	Inhibition of PIM3 using ATP as substrate
50034480	1	ChEMBL_800440 (CHEMBL1948461)	Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cAMP production after 30 mins by immunoassay
50034480	2	ChEMBL_800443 (CHEMBL1948464)	Binding affinity to human adenosine A3 receptor
50034480	3	ChEMBL_800431 (CHEMBL1948362)	Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counting
50034480	4	ChEMBL_800432 (CHEMBL1948453)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting
50034480	5	ChEMBL_800433 (CHEMBL1948454)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting
50034481	1	ChEMBL_800448 (CHEMBL1948469)	Inhibition of His-tagged human Icmt membrane protein over-expressed in Saccharomyces cerevisiae 2766 using [14C]-SAM and N-acetyl-S-farnesyl-l-cysteine as substrate measured after 30 mins by scintillation counting
50034482	1	ChEMBL_800489 (CHEMBL1948609)	Inhibition of CDK2 in human MV411 cells assessed as Rb phosphorylation after 24 hrs by Western blot analysis
50034482	2	ChEMBL_800481 (CHEMBL1948601)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins by LC-MS/MS analysis
50034482	3	ChEMBL_800480 (CHEMBL1948600)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate after 5 mins by LC-MS/MS analysis
50034482	4	ChEMBL_800479 (CHEMBL1948599)	Inhibition of CYP2C9 in human liver microsomes using Tolbutamide as substrate after 60 mins by LC-MS/MS analysis
50034482	5	ChEMBL_800478 (CHEMBL1948598)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 60 mins by LC-MS/MS analysis
50034482	6	ChEMBL_800477 (CHEMBL1948597)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC-MS/MS analysis
50034482	7	ChEMBL_800518 (CHEMBL1947379)	Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay
50034482	8	ChEMBL_800500 (CHEMBL1948620)	Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay
50034482	9	ChEMBL_800519 (CHEMBL1947380)	Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay
50034483	1	ChEMBL_800567 (CHEMBL1947513)	Inhibition of human Erg expressed in HEK293 cells by FAST patch clamp analysis
50034484	1	ChEMBL_800615 (CHEMBL1947647)	Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence analysis
50034484	2	ChEMBL_800614 (CHEMBL1947646)	Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA
50034485	1	ChEMBL_800846 (CHEMBL1948398)	Inhibition of human eNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay
50034485	2	ChEMBL_800847 (CHEMBL1948399)	Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay
50034485	3	ChEMBL_800850 (CHEMBL1948402)	Inhibition of mouse iNOS
50034485	4	ChEMBL_800845 (CHEMBL1948397)	Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay
50034486	1	ChEMBL_800919 (CHEMBL1948646)	Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting
50034487	1	ChEMBL_800930 (CHEMBL1948657)	Activity at full length human Myt1 expressed in human HEK293 cells at 10 uM after 30 mins by fluorescence polarization immunoassay
50034487	2	ChEMBL_800931 (CHEMBL1948658)	Competitive inhibition of human Myt1 by TR-FRET assay
50034488	1	ChEMBL_801000 (CHEMBL1948774)	Inhibition of Coagulation factor 10a
50034488	2	ChEMBL_801001 (CHEMBL1948775)	Inhibition of thrombin
50034488	3	ChEMBL_800937 (CHEMBL1948664)	Inhibition of chymase
50034489	1	ChEMBL_801009 (CHEMBL1948783)	Inhibition of human recombinant P38alpha assessed as inhibition of GST-tagged ATF2 phosphorylation after 1 hr by HTRF assay
50034489	2	ChEMBL_801010 (CHEMBL1948784)	Inhibition of P38alpha in human whole blood assessed as inhibition of TNF-alpha-induced IL-8 production incubated for 1 hr prior to TNFalpha challenge measured after 16 to 18 hrs by ECL based antibody sandwich assay
50034489	3	ChEMBL_801008 (CHEMBL1948782)	Inhibition of P38alpha in human whole blood assessed as inhibition of LPS-induced MK2 phosphorylation incubated for 30 mins prior to LPS challenge measured after 45 mins by flow cytometry
50034489	4	ChEMBL_801015 (CHEMBL1948789)	Inhibition of CYP3A4
50034489	5	ChEMBL_801016 (CHEMBL1948790)	Inhibition of CYP2D6
50034489	6	ChEMBL_801017 (CHEMBL1948791)	Displacement of [3H]dofetilide from human ERG
50034489	7	ChEMBL_801023 (CHEMBL1948797)	Inhibition of P38alpha
50034490	1	ChEMBL_801099 (CHEMBL1948884)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells
50034490	2	ChEMBL_801260 (CHEMBL1947323)	Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in CHO cells
50034490	3	ChEMBL_801168 (CHEMBL1949039)	Inverse agonist activity at human histamine H3 histamine receptor by [35S]GTPgammaS binding assay
50034490	4	ChEMBL_801167 (CHEMBL1949038)	Inhibition of muscarinic M2 receptor
50034490	5	ChEMBL_801100 (CHEMBL1948885)	Inhibition of human ERG by patch clamp assay
50034490	6	ChEMBL_801097 (CHEMBL1948882)	Binding affinity to rat histamine H3 receptor
50034490	7	ChEMBL_801096 (CHEMBL1948881)	Binding affinity to human histamine H3 receptor
50034491	2	ChEMBL_801325 (CHEMBL1947874)	Displacement of radiolabeled FK33-824 from mu opioid receptor expressed in HEK293 cell membranes
50034491	3	ChEMBL_801328 (CHEMBL1947877)	Inhibition of human ERG
50049125	1	ChEMBL_1654061 (CHEMBL4003427)	Inhibition of recombinant 6x-His-tagged JNK3 (39 to 402 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as reduction in ATF2 phosphorylation measured after 50 mins by ELISA
50034492	1	ChEMBL_801332 (CHEMBL1947977)	Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotometry
50034493	1	ChEMBL_801351 (CHEMBL1947996)	Binding affinity to human ERG channel
50034493	2	ChEMBL_801352 (CHEMBL1947997)	Inhibition of human ERG channel by patch clamp assay
50034494	1	ChEMBL_801409 (CHEMBL1948139)	Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay
50034495	1	ChEMBL_800507 (CHEMBL1948627)	Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis
50034495	2	ChEMBL_800508 (CHEMBL1948628)	Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of EDTA
50034495	3	ChEMBL_800509 (CHEMBL1948629)	Inhibition of recombinant N-terminus hexahistidine-tagged human lipoprotein-associated phospholipase A2 expressed in Escherichia coli using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis
50034495	4	ChEMBL_800510 (CHEMBL1948630)	Inhibition of recombinant N-terminus hexahistidine-tagged human lipoprotein-associated phospholipase A2 expressed in Escherichia coli using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of EDTA
50034495	5	ChEMBL_800511 (CHEMBL1948631)	Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of 50 uM CdCl2
50034495	6	ChEMBL_800512 (CHEMBL1948632)	Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of 50 uM FeCl3
50034495	7	ChEMBL_801435 (CHEMBL1948165)	Inhibition of human plasma lipoprotein-associated phospholipase A2 using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of 50 uM ZnCl2
50034495	8	ChEMBL_801436 (CHEMBL1948258)	Inhibition of recombinant N-terminus hexahistidine-tagged human lipoprotein-associated phospholipase A2 expressed in Escherichia coli using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in absence of ZnCl2
50034495	9	ChEMBL_801437 (CHEMBL1948259)	Inhibition of recombinant N-terminus hexahistidine-tagged human lipoprotein-associated phospholipase A2 expressed in Escherichia coli using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by spectrophotometric analysis in presence of ZnCl2
50034495	10	ChEMBL_801439 (CHEMBL1948261)	Inhibition of recombinant N-terminus hexahistidine-tagged, TAMRA-tagged human lipoprotein-associated phospholipase A2 expressed in Escherichia coli using 2-thio-PAF as substrate preincubated for 20 mins measured 1 hr post substrate addition by fluorescence analysis in presence of 20 uM ZnCl2
50034496	1	ChEMBL_801442 (CHEMBL1948264)	Inhibition of wild-type B-Raf
50034496	2	ChEMBL_801444 (CHEMBL1948266)	Inhibition of C-Raf
50034496	3	ChEMBL_801445 (CHEMBL1948267)	Inhibition of VEGFR2
50034496	4	ChEMBL_801451 (CHEMBL1948273)	Inhibition of B-Raf-mediated Erk phosphorylation in human HFF cells after 60 mins by Western blot analysis
50034496	5	ChEMBL_801452 (CHEMBL1948274)	Inhibition of B-Raf-mediated Erk phosphorylation in human HMEC cells after 60 mins by Western blot analysis
50034496	6	ChEMBL_801453 (CHEMBL1948275)	Inhibition of B-Raf-mediated Erk phosphorylation in human PREC cells after 60 mins by Western blot analysis
50034497	1	ChEMBL_800154 (CHEMBL1947628)	Inhibition of CDK9/CyclinT1
50034498	1	ChEMBL_800166 (CHEMBL1947640)	Inhibition of human recombinant MAOB using kynuramine as substrate by fluorimetry
50034498	2	ChEMBL_800167 (CHEMBL1947641)	Inhibition of human recombinant MAOA using kynuramine as substrate by fluorimetry
50034499	1	ChEMBL_800169 (CHEMBL1947643)	Displacement of [125I]MCP-1 from CCR2 in human PMBC
50034499	2	ChEMBL_800170 (CHEMBL1947732)	Displacement of [125I]MCP-1 from CCR2 in human THP1 cells
50034499	3	ChEMBL_800171 (CHEMBL1947733)	Displacement of [125I]MIP-1beta from CCR5
50034499	4	ChEMBL_800176 (CHEMBL1947738)	Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.1% BSA
50034499	5	ChEMBL_800177 (CHEMBL1947739)	Antagonist activity at CCR2 by monocyte transmigration assay in pesence of 0.5% BSA
50034500	1	ChEMBL_800179 (CHEMBL1947741)	Partial agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay
50034500	2	ChEMBL_800180 (CHEMBL1947742)	Agonist activity at human PPARgamma expressed in MG-63 cells by reporter gene-based transactivation assay
50034501	1	ChEMBL_800184 (CHEMBL1947746)	Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034501	2	ChEMBL_800185 (CHEMBL1947747)	Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034501	3	ChEMBL_800186 (CHEMBL1947748)	Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034501	4	ChEMBL_800187 (CHEMBL1947749)	Inhibition of p38alpha using MBP and [gamma33P]ATP as substrate after 60 mins by scintillation counting
50034502	1	ChEMBL_800208 (CHEMBL1947770)	Inhibition of wild-type EGFR expressed using baculovirus expression system by ELISA
50034503	1	ChEMBL_801482 (CHEMBL1948304)	Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate
50034503	2	ChEMBL_801485 (CHEMBL1948412)	Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate
50034503	3	ChEMBL_801483 (CHEMBL1948410)	Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate
50034503	4	ChEMBL_801484 (CHEMBL1948411)	Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate
50034504	1	ChEMBL_801514 (CHEMBL1948441)	Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins
50034505	1	ChEMBL_801534 (CHEMBL1948548)	Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
50034505	2	ChEMBL_801535 (CHEMBL1948549)	Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
50034505	3	ChEMBL_801536 (CHEMBL1948550)	Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
50034505	4	ChEMBL_801532 (CHEMBL1948546)	Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
50034505	5	ChEMBL_801533 (CHEMBL1948547)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis
50049125	2	ChEMBL_1654062 (CHEMBL4003428)	Inhibition of GST-His tagged human p38alpha expressed in Escherichia coli assessed as reduction in ATF2 phosphorylation measured after 60 mins by ELISA
50034506	1	ChEMBL_801611 (CHEMBL1948717)	Inhibition of dihydroorotate dehydrogenase in Wistar rat liver mitochondrial/microsomal membranes measured for 5 mins by 2,6-dichlorophenolindophenol reduction-based spectrophotometry
50034507	1	ChEMBL_801650 (CHEMBL1948908)	Irreversible inhibition of steroid sulfatase in human intact MCF7 cells
50034507	2	ChEMBL_801651 (CHEMBL1948909)	Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate after 10 mins by spectrofluorimeter plate reader
50034507	3	ChEMBL_801652 (CHEMBL1948910)	Mixed type inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis
50034507	4	ChEMBL_801653 (CHEMBL1948911)	Inhibition of steroid sulfatase using 4-methylumbelliferyl sulfate as substrate by Lineweaver-Burk plot analysis
50034508	1	ChEMBL_801719 (CHEMBL1949030)	Inhibition of autophosphorylation of recombinant His-tagged EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorimetry assay
50034509	1	ChEMBL_801785 (CHEMBL1947348)	Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis
50034509	2	ChEMBL_801784 (CHEMBL1947347)	Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis
50034510	2	ChEMBL_801825 (CHEMBL1947437)	Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay
50034511	1	ChEMBL_801829 (CHEMBL1947441)	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50034511	2	ChEMBL_801827 (CHEMBL1947439)	Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
50034511	3	ChEMBL_801828 (CHEMBL1947440)	Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50034512	1	ChEMBL_801832 (CHEMBL1947444)	Inhibition of recombinant tPA using H-D-Ile-Pro-Arg-pNA.2HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50034512	2	ChEMBL_801833 (CHEMBL1947445)	Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50034512	3	ChEMBL_801834 (CHEMBL1947446)	Non-competitive inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50034512	4	ChEMBL_801830 (CHEMBL1947442)	Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50034512	5	ChEMBL_801831 (CHEMBL1947443)	Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50034512	6	ChEMBL_801835 (CHEMBL1947447)	Competitive inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry
50049126	1	ChEMBL_1654088 (CHEMBL4003454)	Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by microfluidic assay
50049126	2	ChEMBL_1654087 (CHEMBL4003453)	Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by microfluidic assay
50049126	3	ChEMBL_1654086 (CHEMBL4003452)	Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by microfluidic assay
50049126	4	ChEMBL_1654098 (CHEMBL4003464)	Inhibition of JAK1/TYK2 in human whole blood lymphocytes assessed as inhibition of IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFNalpha addition and measured after 20 mins by flow cytometric analysis
50049126	5	ChEMBL_1654099 (CHEMBL4003465)	Inhibition of JAK2/TYK2 in human whole blood lymphocytes assessed as inhibition of IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL23 addition and measured after 20 mins by flow cytometric analysis
50049126	6	ChEMBL_1654100 (CHEMBL4003466)	Inhibition of JAK1/JAK3 in human whole blood assessed as inhibition of IL-4 induced STAT6 phosphorylation preincubated for 45 mins followed by Il-4 addition and measured after 20 mins by flow cytometric analysis
50049126	7	ChEMBL_1654101 (CHEMBL4003467)	Inhibition of JAK1/JAK2 in human whole blood assessed as inhibition of IL-6 induced STAT3 phosphorylation preincubated for 45 mins followed by Il-6 addition and measured after 20 mins by flow cytometric analysis
50049126	8	ChEMBL_1654102 (CHEMBL4003468)	Inhibition of JAK2 homodimer in human whole blood assessed as inhibition of GM-CSF induced STAT5 phosphorylation preincubated for 45 mins followed by GM-CSF addition and measured after 20 mins by flow cytometric analysis
50034514	1	ChEMBL_801843 (CHEMBL1947455)	Inhibition of recombinant influenza A virus H1N1 A/Bervig_Mission/1/18 sialidase activity using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by fluorimetric analysis
50034515	1	ChEMBL_801855 (CHEMBL1947467)	Inhibition of PI3Kgamma after 4 hrs
50034516	1	ChEMBL_801859 (CHEMBL1947471)	Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells
50034516	2	ChEMBL_801860 (CHEMBL1947472)	Displacement of [3H]Citalopram from human cloned SERT receptor expressed in HEK293 cells
50034516	3	ChEMBL_801861 (CHEMBL1947473)	Displacement of [3H]nisoxetine from human cloned NET receptor expressed in HEK293 cells
50034517	1	ChEMBL_801878 (CHEMBL1947490)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 60 mins
50034518	1	ChEMBL_801918 (CHEMBL1947584)	Non-competitive inhibition of recombinant Leishmania infantum MHOM/MA67ITMAP263 trypanothione reductase assessed as inhibition of NADPH consumption using trypanothione disulfide as substrate at 1 uM by Michaelis-Menten and Lineweaver-Burk plot analysis
50034519	1	ChEMBL_801936 (CHEMBL1947695)	Inhibition of recombinant human SitT1 by Fluor de Lys fluorescence assay
50034519	2	ChEMBL_801933 (CHEMBL1947692)	Inhibition of recombinant human SitT2 by Fluor de Lys fluorescence assay
50034520	1	ChEMBL_802019 (CHEMBL1949177)	Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate and [gamma-33P]ATP after 30 mins by scintillation counting
50034521	1	ChEMBL_802188 (CHEMBL1949346)	Displacement of [3H]-Citalopram from SERT in rat cerebral cortex homogenates after 1 hr by liquid scintillation counter
50034521	2	ChEMBL_802189 (CHEMBL1949347)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins
50034521	3	ChEMBL_802190 (CHEMBL1949348)	Displacement of [3H]-5HT from human SERT
50034522	1	ChEMBL_802194 (CHEMBL1949352)	Inhibition of EGFR after 50 mins by HTRF assay
50034523	1	ChEMBL_802198 (CHEMBL1949356)	Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting
50034523	2	ChEMBL_802199 (CHEMBL1949357)	Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 mins by gamma counting
50034524	1	ChEMBL_802204 (CHEMBL1949362)	Inhibition of recombinant human monoamine oxidase A expressed in insect microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50034524	2	ChEMBL_802205 (CHEMBL1949363)	Inhibition of recombinant human monoamine oxidase B expressed in insect microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50034525	1	ChEMBL_802224 (CHEMBL1949382)	Inhibition of Mycobacterium tuberculosis chorismate mutase expressed in Escherichia coli BL21 assessed as conversion of chorismate to prephenate after 5 mins by Spectrophotometry
50034526	1	ChEMBL_802233 (CHEMBL1949391)	Inhibition of human PTP1B using p-nitrophenol phosphate as substrate incubated for 35 mins prior to substrate addition measured after 30 mins by spectrophotometry
50034526	2	ChEMBL_802234 (CHEMBL1949392)	Inhibition of human TCPTP using p-nitrophenol phosphate as substrate incubated for 35 mins prior to substrate addition measured after 30 mins by spectrophotometry
50034526	3	ChEMBL_802235 (CHEMBL1949393)	Inhibition of human PTP-MEG2 using p-nitrophenol phosphate as substrate incubated for 35 mins prior to substrate addition measured after 30 mins by spectrophotometry
50034526	4	ChEMBL_802236 (CHEMBL1949394)	Inhibition of human SHP1 using p-nitrophenol phosphate as substrate incubated for 35 mins prior to substrate addition measured after 30 mins by spectrophotometry
50034526	5	ChEMBL_802237 (CHEMBL1949395)	Inhibition of human SHP2 using p-nitrophenol phosphate as substrate incubated for 35 mins prior to substrate addition measured after 30 mins by spectrophotometry
50034527	1	ChEMBL_802298 (CHEMBL1949456)	Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8
50034528	1	ChEMBL_802303 (CHEMBL1949461)	Antagonist activity at Sprague-Dawley rat TRPA1 expressed in rat DRG neurons assessed as inhibition of acrolein-induced calcium influx after 40 mins by fluorescence analysis
50049126	9	ChEMBL_1654084 (CHEMBL4003450)	Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by microfluidic assay
50034529	1	ChEMBL_802309 (CHEMBL1949467)	Binding affinity at 5-HT2A receptor by radioligand displacement assay
50034529	2	ChEMBL_802310 (CHEMBL1949468)	Binding affinity at 5-HT2C receptor by radioligand displacement assay
50034529	3	ChEMBL_802308 (CHEMBL1949466)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting
50034529	4	ChEMBL_802311 (CHEMBL1949469)	Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells
50034529	5	ChEMBL_802312 (CHEMBL1949470)	Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5
50034529	6	ChEMBL_802313 (CHEMBL1949471)	Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor
50034529	7	ChEMBL_802314 (CHEMBL1949472)	Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter
50034530	1	ChEMBL_802317 (CHEMBL1949475)	Inhibition of human PDE3A catalytic domain
50034530	2	ChEMBL_802318 (CHEMBL1949476)	Inhibition of human PDE4B catalytic domain
50049127	1	ChEMBL_1654156 (CHEMBL4003522)	Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated NAD+ as substrate measured after 2 hrs
50049127	2	ChEMBL_1654158 (CHEMBL4003524)	Inhibition of PARP15 (unknown origin)
50049127	3	ChEMBL_1654155 (CHEMBL4003521)	Inhibition of recombinant human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using TACS-Sapphire as substrate measured after 30 mins by colorimetric assay
50049127	4	ChEMBL_1654154 (CHEMBL4003520)	Inhibition of PARP4 (unknown origin)
50049127	5	ChEMBL_1654152 (CHEMBL4003518)	Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells measured after 1 hr by chemiluminescence assay
50049127	6	ChEMBL_1654151 (CHEMBL4003517)	Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expressed in Baculovirus infected Sf9 cells using TACS-Sapphire as substrate measured after 1 hr by colorimetric assay
50034531	4	ChEMBL_805477 (CHEMBL1955370)	Displacement of [3H]-PGD2 from human Prostanoid DP receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin
50049127	7	ChEMBL_1654150 (CHEMBL4003516)	Inhibition of PARP14 (unknown origin)
50049127	8	ChEMBL_1654167 (CHEMBL4003533)	Inhibition of PARP1 (unknown origin)
50049127	9	ChEMBL_1654149 (CHEMBL4003515)	Inhibition of PARP12 (unknown origin)
50034532	1	ChEMBL_802533 (CHEMBL1952569)	Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50034532	2	ChEMBL_802534 (CHEMBL1952570)	Agonist activity at human S1P3R expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50034532	3	ChEMBL_802535 (CHEMBL1952571)	Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50034532	4	ChEMBL_802539 (CHEMBL1952575)	Agonist activity at human S1P5R
50034533	1	ChEMBL_802754 (CHEMBL1953400)	Inhibition of CETP-mediated BODIPY-labeled cholesteryl ester transfer after 45 mins by FRET analysis
50034534	1	ChEMBL_802787 (CHEMBL1953521)	Displacement of [125I]MCP1 from CCR2 in human PBMC after 30 mins by gamma counter
50034534	2	ChEMBL_802788 (CHEMBL1953522)	Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter
50034534	3	ChEMBL_802789 (CHEMBL1953523)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 30 mins
50034534	4	ChEMBL_802790 (CHEMBL1953524)	Antagonist activity at mouse CCR2 assessed as inhibition of MCP1-induced chemotaxis after 30 mins
50034534	5	ChEMBL_802791 (CHEMBL1953525)	Displacement of dofetidine from human Erg
50034534	6	ChEMBL_802794 (CHEMBL1953528)	Inhibition of human CCR2-mediated Erk phosphorylation
50034534	8	ChEMBL_802940 (CHEMBL1953973)	Inhibition of CYP1A2
50034534	9	ChEMBL_802941 (CHEMBL1953974)	Inhibition of CYP2C9
50034534	10	ChEMBL_802942 (CHEMBL1953975)	Inhibition of CYP2C19
50034534	11	ChEMBL_802943 (CHEMBL1953976)	Inhibition of CYP2D6
50034534	12	ChEMBL_802944 (CHEMBL1953977)	Inhibition of CYP3A4
50034534	13	ChEMBL_802976 (CHEMBL1954009)	Inhibition of human Erg by patch clamp assay
50034535	1	ChEMBL_803176 (CHEMBL1954755)	Inhibition of CYP2C19
50034536	1	ChEMBL_803189 (CHEMBL1954900)	Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation counting
50034536	2	ChEMBL_803190 (CHEMBL1954901)	Inhibition of human DGAT-2
50034536	3	ChEMBL_803191 (CHEMBL1954902)	Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting
50034536	4	ChEMBL_803366 (CHEMBL1952825)	Inhibition of rat DGAT-1
50034537	3	ChEMBL_803382 (CHEMBL1952841)	Inhibition of Fyn by IMAP assay
50034537	4	ChEMBL_803383 (CHEMBL1952842)	Inhibition of EphB3
50034537	5	ChEMBL_803384 (CHEMBL1952843)	Inhibition of ERK2 by IMAP assay
50034537	6	ChEMBL_803385 (CHEMBL1952844)	Inhibition of SGK
50034537	8	ChEMBL_803388 (CHEMBL1952847)	Inhibition of PKCdelta by IMAP assay
50034538	1	ChEMBL_803747 (CHEMBL1953887)	Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate by spectrofluorometer analysis
50034538	2	ChEMBL_803749 (CHEMBL1953889)	Inhibition of human cathepsin-B using Cbz-Phe-Arg-AMC as substrate by spectrofluorometer analysis
50034539	1	ChEMBL_803949 (CHEMBL1954780)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in human HEK293 cells
50034539	2	ChEMBL_803945 (CHEMBL1954776)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in human HEK293 cells
50034539	3	ChEMBL_803946 (CHEMBL1954777)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in human HEK293 cells
50034539	4	ChEMBL_803947 (CHEMBL1954778)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in human HEK293 cells
50034540	1	ChEMBL_803952 (CHEMBL1954783)	Displacement of [125I]-CPCR4 from CXCR4 receptor in human Jurkat cells after 2 hrs by gamma counting
50034541	1	ChEMBL_803975 (CHEMBL1954955)	Inhibition of PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034541	2	ChEMBL_803978 (CHEMBL1954958)	Inhibition of PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034541	3	ChEMBL_803984 (CHEMBL1954964)	Inhibition of PI3Kdelta using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034541	4	ChEMBL_803985 (CHEMBL1954965)	Inhibition of PI3Kgamma using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034542	1	ChEMBL_804136 (CHEMBL1952701)	Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting
50034542	2	ChEMBL_804137 (CHEMBL1952702)	Non-competitive inhibition of human aurora-A using kemptide as a substrate by double reciprocal plot analysis
50034542	3	ChEMBL_804139 (CHEMBL1952704)	Mixed type inhibition of human aurora A using kemptide as a substrate by double reciprocal plot analysis
50034542	4	ChEMBL_803989 (CHEMBL1954969)	Binding affinity to human Cdk2 by fluorescence spectroscopy
50034543	1	ChEMBL_804539 (CHEMBL1952732)	Inhibition of bovine COX1 assessed as PGE2 formation preincubated for 10 mins by ELISA
50034543	2	ChEMBL_804540 (CHEMBL1952733)	Inhibition of ovine COX2 assessed as PGE2 formation preincubated for 10 mins by ELISA
50034544	1	ChEMBL_804541 (CHEMBL1952734)	Inhibition of papaya papain using BAPNA as substrate assessed as p-nitroaniline release by spectrophotometric analysis
50034544	2	ChEMBL_804543 (CHEMBL1952736)	Inhibition of cathepsin B
50034544	3	ChEMBL_804542 (CHEMBL1952735)	Inhibition of papaya papain
50034545	1	ChEMBL_804546 (CHEMBL1952739)	Inhibition of human SCD1 expressed in human HepG2 cells assessed as conversion of [14C]stearic acid to [14C]oleic acid
50034545	2	ChEMBL_804547 (CHEMBL1952740)	Inhibition of SCD1 in Sprague-Dawley rat hepatocytes assessed as conversion of [14C]oleic acid formation by HPLC analysis
50034545	3	ChEMBL_804584 (CHEMBL1953010)	Inhibition of mouse SCD1
50034545	4	ChEMBL_804585 (CHEMBL1953011)	Inhibition of human SCD1
50034545	5	ChEMBL_804586 (CHEMBL1953012)	Inhibition of human SCD5
50034545	6	ChEMBL_804545 (CHEMBL1952738)	Inhibition of rat SCD1
50034547	1	ChEMBL_805304 (CHEMBL1955197)	Inhibition of rat liver microsome SCD1
50034547	2	ChEMBL_805305 (CHEMBL1955198)	Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay
50034547	3	ChEMBL_805306 (CHEMBL1955199)	Inhibition of SCD1 in rat hepatocytes expressing OATP
50034547	4	ChEMBL_805310 (CHEMBL1955203)	Inhibition of human SCD1
50034547	5	ChEMBL_805311 (CHEMBL1955204)	Inhibition of human SCD5
50034547	6	ChEMBL_805312 (CHEMBL1955205)	Inhibition of delta-5 desaturase expressed in HepG2 cells
50034547	7	ChEMBL_805313 (CHEMBL1955206)	Inhibition of delta-6 desaturase expressed in HepG2 cells
50034548	1	ChEMBL_805333 (CHEMBL1955226)	Binding affinity to A2A adenosine receptor
50034548	2	ChEMBL_805332 (CHEMBL1955225)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins
50034548	3	ChEMBL_805334 (CHEMBL1955227)	Displacement of [3H]N6-phenylisopropyladenosine from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins
50034548	4	ChEMBL_805335 (CHEMBL1955228)	Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5'-N-ethylcarboxamido-adenosine from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins
50034548	5	ChEMBL_805337 (CHEMBL1955230)	Displacement of [3H]CGS21680 from A2A adenosine receptor expressed in rat striatal membranes after 30 mins by liquid scintillation counting
50034548	6	ChEMBL_805338 (CHEMBL1955231)	Displacement of [3H]NECA from A2A adenosine receptor expressed in rat striatal membranes after 30 mins by liquid scintillation counting
50034548	7	ChEMBL_805340 (CHEMBL1955233)	Binding affinity to human A2A adenosine receptor expressed in CHO cells
50049127	10	ChEMBL_1654153 (CHEMBL4003519)	Inhibition of PARP3 (unknown origin)
50034549	1	ChEMBL_805344 (CHEMBL1955237)	Agonist activity at rat P2Y purinoceptor 6 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034549	2	ChEMBL_805341 (CHEMBL1955234)	Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50049127	11	ChEMBL_1654175 (CHEMBL4003541)	Inhibition of TNKS2 (unknown origin)
50049127	12	ChEMBL_1654159 (CHEMBL4003525)	Inhibition of PARP16 (unknown origin)
50049127	13	ChEMBL_1654157 (CHEMBL4003523)	Inhibition of PARP10 (unknown origin)
50049128	1	ChEMBL_1654194 (CHEMBL4003560)	Binding affinity to human partial length BRPF3 expressed in bacterial expression system by BROMOscan method
50049128	2	ChEMBL_1654193 (CHEMBL4003559)	Displacement of GSK2833930A from human BRD9 incubated for 30 mins in dark by TR-FRET assay
50049128	3	ChEMBL_1654191 (CHEMBL4003557)	Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length human PCAF bromodomain expressed in HEK293 cells after 18 hrs by NanoBRET assay
50049128	4	ChEMBL_1654183 (CHEMBL4003549)	Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method
50034550	1	ChEMBL_802348 (CHEMBL1954492)	Antagonist activity at human recombinant GluK3 receptor expressed in human HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by fluorescence assay
50034550	2	ChEMBL_802341 (CHEMBL1954485)	Antagonist activity at human recombinant GluK1 receptor expressed in human HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by fluorescence assay
50034550	3	ChEMBL_802342 (CHEMBL1954486)	Antagonist activity at human recombinant GluK2 receptor expressed in human HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by fluorescence assay
50034551	1	ChEMBL_803007 (CHEMBL1954164)	Agonist activity at human ERalpha expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay
50034551	2	ChEMBL_803005 (CHEMBL1954162)	Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay
50034551	3	ChEMBL_802376 (CHEMBL1954683)	Agonist activity at human ERalpha expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay
50034551	4	ChEMBL_802374 (CHEMBL1954681)	Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay
50034551	5	ChEMBL_802371 (CHEMBL1954678)	Agonist activity at human N-His6-tagged terbium-labelled ERalpha ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay
50034551	6	ChEMBL_802369 (CHEMBL1954676)	Agonist activity at human N-His6-tagged terbium-labelled ERbeta ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay
50034551	7	ChEMBL_802366 (CHEMBL1954673)	Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERalpha ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay
50034551	8	ChEMBL_802364 (CHEMBL1954671)	Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERbeta ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay
50034551	9	ChEMBL_803011 (CHEMBL1954168)	Displacement of [3H]E2 from rat ERbeta1 after 90 mins
50034552	1	ChEMBL_803200 (CHEMBL1954911)	Agonist activity at human CB2 receptor
50034552	2	ChEMBL_803201 (CHEMBL1954912)	Agonist activity at human CB1 receptor
50034553	1	ChEMBL_803468 (CHEMBL1953106)	Inhibition of His-6 tagged BRD2 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis
50034553	2	ChEMBL_803469 (CHEMBL1953107)	Inhibition of His-6 tagged BRD3 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis
50034553	3	ChEMBL_803470 (CHEMBL1953108)	Inhibition of His-6 tagged BRD4 expressed in Escherichia coli after 60 mins by fluorescence anisotropic analysis
50034553	4	ChEMBL_803471 (CHEMBL1953109)	Inhibition of His-6 tagged BRD2-RD12 interaction precoupled with biotinylated tetra-acetylated histone H4 expressed in Escherichia coli after 1 hr by TR-FRET assay
50034553	5	ChEMBL_803472 (CHEMBL1953110)	Inhibition of His-6 tagged BRD3-RD12 interaction precoupled with biotinylated tetra-acetylated histone H4 expressed in Escherichia coli after 1 hr by TR-FRET assay
50034553	6	ChEMBL_803473 (CHEMBL1953111)	Inhibition of His-6 tagged BRD4-RD12 interaction precoupled with biotinylated tetra-acetylated histone H4 expressed in Escherichia coli after 1 hr by TR-FRET assay
50034554	1	ChEMBL_803633 (CHEMBL1953573)	Inhibition of HMT-G9a using S-adenosylmethionine and biotinylated H3 peptide after 1 hr
50034555	1	ChEMBL_803831 (CHEMBL1954226)	Inhibition of human ERG by automated patch clamp assay
50034555	2	ChEMBL_803806 (CHEMBL1954201)	Inhibition of human N-myristoyltransferase 1 using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay
50034555	3	ChEMBL_803813 (CHEMBL1954208)	Inhibition of Leishmania major N-myristoyltransferase using [3H]myristoyl-CoA and GCGGSKVKPQPPQAK(biotin)-amide as substrate preincubated for 5 mins prior substrate addition measured after 50 mins by streptavidin-coated scintillation proximity assay
50034556	1	ChEMBL_803844 (CHEMBL1954382)	Inhibition of mushroom tyrosinase assessed as oxidation of L-dopa by spectrophotometric analysis
50034557	1	ChEMBL_803852 (CHEMBL1954390)	Inhibition of human CK1epsilon expressed in Escherichia coli BL21 using PLSRTLpSVASLPGL as substrate after 3 hrs by KinaseGlo assay
50034557	2	ChEMBL_803851 (CHEMBL1954389)	Inhibition of human recombinant CK1delta expressed in Escherichia coli using PLSRTLpSVASLPGL as substrate after 2 hrs by KinaseGlo assay
50034557	3	ChEMBL_803850 (CHEMBL1954388)	Inhibition of EGFR
50034557	4	ChEMBL_803853 (CHEMBL1954391)	Inhibition of p38alpha
50034558	1	ChEMBL_803854 (CHEMBL1954392)	Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system
50034558	2	ChEMBL_803994 (CHEMBL1954974)	Inhibition of M1 receptor
50034558	3	ChEMBL_803866 (CHEMBL1954404)	Inhibition of FAP
50034558	4	ChEMBL_803864 (CHEMBL1954402)	Inhibition of human ERG by Qpatch assay
50034558	5	ChEMBL_803863 (CHEMBL1954401)	Inhibition of human ERG by dofetilide binding assay
50049128	5	ChEMBL_1654185 (CHEMBL4003551)	Displacement of GSK3103956A from FLAG-6 His-Halo tagged human PCAF bromodomain (715 to 831 residues) incubated for 30 mins in dark by TR-FRET assay
50034558	6	ChEMBL_803862 (CHEMBL1954400)	Inhibition of CYP3A4
50034559	1	ChEMBL_804013 (CHEMBL1954993)	Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting
50034560	1	ChEMBL_804208 (CHEMBL1954098)	Inhibition of human recombinant AChE using acetylthiocholine as substrate after 1 hr by Ellman method
50034560	2	ChEMBL_804209 (CHEMBL1954099)	Inhibition of human recombinant BChE using butyrylthiocholine as substrate after 20 mins by Ellman method
50034561	1	ChEMBL_804227 (CHEMBL1954241)	Displacement of [3H]SR141716A from human CB1 receptor
50034561	2	ChEMBL_804228 (CHEMBL1954242)	Displacement of [3H]CP55940 from human CB2 receptor
50034561	3	ChEMBL_804229 (CHEMBL1954243)	Inhibition of human recombinant N-His6-tagged MAGL expressed in Escherichia coli using 7-Hydroxycoumarinyl arachidonate as substrate by fluorimetry
50034561	4	ChEMBL_804235 (CHEMBL1954249)	Inhibition of human ERG
50034561	5	ChEMBL_804236 (CHEMBL1954250)	Inhibition of CYP1A2
50034561	6	ChEMBL_804237 (CHEMBL1954251)	Inhibition of CYP2C19
50034561	7	ChEMBL_804238 (CHEMBL1954252)	Inhibition of CYP2C9
50034561	8	ChEMBL_804239 (CHEMBL1954253)	Inhibition of CYP2D6
50034561	9	ChEMBL_804240 (CHEMBL1954254)	Inhibition of CYP3A4
50034561	10	ChEMBL_804223 (CHEMBL1954237)	Inhibition of human FAAH expressed in CHO cells using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry
50034561	11	ChEMBL_804224 (CHEMBL1954238)	Inhibition of rat FAAH using 7-amino-4-methylcoumarine amide as substrate preincubated for 1 hr by fluorimetry
50034562	1	ChEMBL_804415 (CHEMBL1954842)	Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay
50034562	2	ChEMBL_804416 (CHEMBL1954843)	Inhibition of human lipoprotein lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay
50034562	3	ChEMBL_804418 (CHEMBL1954845)	Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate addition by micelle assay
50034562	4	ChEMBL_804419 (CHEMBL1954846)	Inhibition of human lipoprotein lipase expressed in HEK293 cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substrate addition by micelle assay
50049128	6	ChEMBL_1654182 (CHEMBL4003548)	Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method
50049128	7	ChEMBL_1654184 (CHEMBL4003550)	Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by AlphaLisa method
50034564	1	ChEMBL_804628 (CHEMBL1953150)	Displacement of [3H]LSD from human recombinant 5HT6 receptor
50034564	2	ChEMBL_804629 (CHEMBL1953151)	Displacement of [3H]LSD from rat recombinant 5HT6 receptor
50034564	3	ChEMBL_804630 (CHEMBL1953152)	Antagonist activity at human 5HT6 receptor expressed in human astrocytoma cells assessed as inhibition of cAMP production
50034564	4	ChEMBL_804671 (CHEMBL1953193)	Inhibition of M1 receptor
50034564	5	ChEMBL_804672 (CHEMBL1953194)	Inhibition of M2 receptor
50034564	6	ChEMBL_804673 (CHEMBL1953195)	Inhibition of M4 receptor
50034564	7	ChEMBL_804674 (CHEMBL1953196)	Inhibition of DA transporter
50034564	8	ChEMBL_804675 (CHEMBL1953197)	Inhibition of NA transporter
50034564	9	ChEMBL_804648 (CHEMBL1953170)	Inhibition of CYP 1A2
50034564	10	ChEMBL_804649 (CHEMBL1953171)	Inhibition of CYP 2C9
50034564	11	ChEMBL_804650 (CHEMBL1953172)	Inhibition of CYP 2C19
50034564	12	ChEMBL_804651 (CHEMBL1953173)	Inhibition of CYP 2D6
50034564	13	ChEMBL_804652 (CHEMBL1953174)	Inhibition of CYP 3A4
50034564	14	ChEMBL_804661 (CHEMBL1953183)	Inhibition of human 5HT2A
50034564	15	ChEMBL_804662 (CHEMBL1953184)	Inhibition of human 5HT2B
50034564	16	ChEMBL_804663 (CHEMBL1953185)	Inhibition of human 5HT2C
50034564	17	ChEMBL_804664 (CHEMBL1953186)	Inhibition of human ERG by patch clamp assay
50034565	1	ChEMBL_804819 (CHEMBL1953638)	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay
50034565	2	ChEMBL_804820 (CHEMBL1953639)	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay
50034565	3	ChEMBL_804821 (CHEMBL1953640)	Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins measured for 10 to 100 secs by stopped flow CO2 hydration assay
50034566	1	ChEMBL_804822 (CHEMBL1953641)	Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay
50034566	2	ChEMBL_804824 (CHEMBL1953643)	Reversible inhibition of CYP3A4
50034566	3	ChEMBL_804823 (CHEMBL1953642)	Time dependent inhibition of CYP3A4
50034567	1	ChEMBL_805023 (CHEMBL1952884)	Binding affinity to recombinant midkine after 3 mins
50034568	1	ChEMBL_805028 (CHEMBL1952889)	Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry
50034569	1	ChEMBL_805033 (CHEMBL1952894)	Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation counting
50034569	2	ChEMBL_805030 (CHEMBL1952891)	Inhibition of hexa-His-tagged JNK1 expressed in baculoviral system using GST-tagged c-Jun as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation counting
50034569	3	ChEMBL_805031 (CHEMBL1952892)	Inhibition of hexa-His-tagged JNK2 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation counting
50034569	4	ChEMBL_805032 (CHEMBL1952893)	Inhibition of hexa-His-tagged JNK3 expressed in baculoviral system using GST-tagged cJun as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation counting
50034569	5	ChEMBL_805189 (CHEMBL1955667)	Inhibition of ERK1
50034569	6	ChEMBL_805192 (CHEMBL1955670)	Inhibition of EGFR
50034570	1	ChEMBL_805217 (CHEMBL1955695)	Inhibition of PrCP-mediated angiotensin3 cleavage in mouse plasma using Mca-Ala-Lys-Dnp as substrate for 8 mins by LC/MS analysis
50034570	2	ChEMBL_805215 (CHEMBL1955693)	Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay
50034570	3	ChEMBL_805216 (CHEMBL1955694)	Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate for 30 mins by continuous fluorimetric assay
50034571	1	ChEMBL_805401 (CHEMBL1955294)	Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
50034571	2	ChEMBL_805403 (CHEMBL1955296)	Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing chimeric Gq/i5 G-protein assessed as Ca2+ release by FLIPR assay
50034572	3	ChEMBL_802414 (CHEMBL1954857)	Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry
50049129	1	ChEMBL_1654287 (CHEMBL4003653)	Displacement of biotinylated ephrin-A1-Fc from recombinant mouse EphA2 receptor preincubated for 1 hr followed by biotinylated ephrin-A1-Fc addition measured after 4 hrs by ELISA method
50034573	1	ChEMBL_802417 (CHEMBL1954860)	Inhibition of MAO-B in mouse cerebral homogenate using kynuramine as substrate after 30 mins by fluorimetry in the presence of MOA-A inhibitor clorgyline
50034574	1	ChEMBL_802422 (CHEMBL1954865)	Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of dexamethasone-induced transcription at GRE after 24 hrs by luciferase reporter gene assay
50034574	2	ChEMBL_802423 (CHEMBL1954866)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 24 hrs by luminescence based assay
50034575	1	ChEMBL_802428 (CHEMBL1954871)	Inhibition of human recombinant MAOA assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay
50034575	2	ChEMBL_802429 (CHEMBL1954872)	Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay
50034576	1	ChEMBL_802613 (CHEMBL1952920)	Binding affinity to GST-tagged BIR3 domain of XIAP by isothermal titration calorimetry
50034576	2	ChEMBL_802614 (CHEMBL1952921)	Antagonist activity at GST-tagged BIR3 domain of XIAP using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay
50034576	3	ChEMBL_802616 (CHEMBL1952923)	Antagonist activity at cIAP1 in human MDA-MB-231 cells assessed as cIAP1 degradation after 1 hr by ELISA
50034576	4	ChEMBL_802615 (CHEMBL1952922)	Antagonist activity at GST-tagged BIR3 domain of cIAP1 using AbuRPFK-5FAM after 20 mins by fluorescence polarization assay
50049130	1	ChEBML_1654306	Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by fluorescence assay
50049130	4	ChEBML_1654306	Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by fluorescence assay
50034577	4	ChEMBL_802809 (CHEMBL1953543)	Displacement of [3H]PGD2 from human DP receptor expressed in HEK293 cells by scintillation counting in presence of 0.5% BSA
50034578	1	ChEMBL_802831 (CHEMBL1953649)	Agonist activity at human GPR119 receptor assessed as cAMP production by HTRF assay
50034578	2	ChEMBL_802832 (CHEMBL1953650)	Agonist activity at rat GPR119 receptor assessed as cAMP production by HTRF assay
50034578	3	ChEMBL_802829 (CHEMBL1953647)	Inhibition of CYP2C9
50034578	4	ChEMBL_802629 (CHEMBL1952936)	Inhibition of human ERG
50034578	5	ChEMBL_802630 (CHEMBL1952937)	Inhibition of human ERG by patch clamp assay
50034579	1	ChEMBL_802645 (CHEMBL1953053)	Antagonist activity at angiotensin 2 receptor type 1 in New Zealand White rabbit descending thoracic aorta rings assessed as inhibition of angiotensin 2-induced contraction preincubated for 30 mins prior angiotensin 2 challenge
50034580	1	ChEMBL_802668 (CHEMBL1953076)	Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
50034580	2	ChEMBL_802669 (CHEMBL1953077)	Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding
50034581	1	ChEMBL_802673 (CHEMBL1953081)	Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis
50034581	2	ChEMBL_802674 (CHEMBL1953082)	Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis
50034582	1	ChEMBL_802875 (CHEMBL1953693)	Inhibition of human CYP3A4 using midazolam as substrate by LC-MS/MS analysis
50034582	2	ChEMBL_802876 (CHEMBL1953694)	Inhibition of human CYP2D6 using dexotromethorphan as substrate by LC-MS/MS analysis
50034582	3	ChEMBL_802877 (CHEMBL1953695)	Inhibition of human ERG by whole-cell patch clamp electrophysiology assay
50034583	1	ChEMBL_802881 (CHEMBL1953699)	Inhibition of human PrCP
50034583	2	ChEMBL_802882 (CHEMBL1953700)	Inhibition of mouse PrCP
50034583	3	ChEMBL_802883 (CHEMBL1953701)	Inhibition of PrCP in mouse plasma assessed as angiotensin 3 cleavage by whole serum shift assay
50049130	7	ChEMBL_1654306 (CHEMBL4003672)	Inhibition of chymotrypsin-like activity of human 20S proteasome pretreated for 15 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by fluorescence assay
50049130	8	ChEMBL_1654311 (CHEMBL4003677)	Inhibition of 20s immunoproteasome chymotrypsin-like activity in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of proteasomal activator 28alpha by fluorimetric method
50049131	1	ChEBML_1654340	Inhibition of GSK3beta (unknown origin)
50049131	2	ChEBML_1654341	Inhibition of PI3Kalpha (unknown origin)
50049131	19	ChEMBL_1654329 (CHEMBL4003695)	Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 substrate measured after 60 mins by HTRF assay
50049131	24	ChEMBL_1654333 (CHEMBL4003699)	Inhibition of Aurora A (unknown origin)
50049131	22	ChEMBL_1654343 (CHEMBL4003709)	Inhibition of CDK2 (unknown origin)
50049131	25	ChEMBL_1654342 (CHEMBL4003708)	Inhibition of P38alpha (unknown origin)
50049131	21	ChEMBL_1654339 (CHEMBL4003705)	Inhibition of MAPKAPK2 (unknown origin)
50034584	2	ChEMBL_803067 (CHEMBL1954373)	Antagonist activity at human metabotropic glutamate receptor 5
50034584	3	ChEMBL_803068 (CHEMBL1954374)	Antagonist activity at rat metabotropic glutamate receptor 1
50049131	20	ChEMBL_1654338 (CHEMBL4003704)	Inhibition of CHK1 (unknown origin)
50049131	15	ChEMBL_1654336 (CHEMBL4003702)	Inhibition of RSK1 (unknown origin)
50049131	16	ChEMBL_1654337 (CHEMBL4003703)	Inhibition of DYRK1A (unknown origin)
50049131	17	ChEMBL_1654334 (CHEMBL4003700)	Inhibition of AKT1 (unknown origin)
50049131	18	ChEMBL_1654335 (CHEMBL4003701)	Inhibition of ABL (unknown origin)
50049131	23	ChEMBL_1654344 (CHEMBL4003710)	Inhibition of CDK4 (unknown origin)
50034585	1	ChEMBL_803076 (CHEMBL1954512)	Inhibition of recombinant PDK1 using P2925 peptide as substrate by fluorescence polarization assay
50034585	2	ChEMBL_803090 (CHEMBL1954526)	Inhibition of recombinant PDK1 using RPRAATF as substrate by scintillation counting
50034586	2	ChEMBL_803115 (CHEMBL1954551)	Inhibition of CYP1A1
50034586	3	ChEMBL_803116 (CHEMBL1954552)	Inhibition of CYP2C9
50034586	4	ChEMBL_803117 (CHEMBL1954553)	Inhibition of CYP2C19
50034586	5	ChEMBL_803118 (CHEMBL1954554)	Inhibition of CYP2D6
50034586	6	ChEMBL_803119 (CHEMBL1954555)	Inhibition of CYP3A4
50034586	7	ChEMBL_803124 (CHEMBL1954560)	Inhibition of human ERG by electrophysiological assay
50049132	1	ChEMBL_1654379 (CHEMBL4003745)	Inhibition of human HA-tagged SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation counting method
50049132	2	ChEMBL_1654380 (CHEMBL4003746)	Inhibition of human HA-tagged SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake measured after 1 to 2 hrs by scintillation counting method
50034587	2	ChEMBL_803271 (CHEMBL1955096)	Inhibition of human CYP1A2 by luminescent assay
50034587	3	ChEMBL_803272 (CHEMBL1955097)	Inhibition of human CYP2C19 by luminescent assay
50034587	4	ChEMBL_803273 (CHEMBL1955098)	Inhibition of human CYP2C9 by luminescent assay
50034587	5	ChEMBL_803274 (CHEMBL1955099)	Inhibition of human CYP2D6 by luminescent assay
50034587	6	ChEMBL_803275 (CHEMBL1955100)	Inhibition of human CYP3A4 by luminescent assay
50034587	8	ChEMBL_803131 (CHEMBL1954567)	Inhibition of PIM2
50034587	9	ChEMBL_803132 (CHEMBL1954568)	Inhibition of PIM3
50034587	10	ChEMBL_803129 (CHEMBL1954565)	Inhibition of FLT3
50034588	1	ChEMBL_803281 (CHEMBL1955106)	Inhibition of rabbit muscle FBA-1
50034589	1	ChEMBL_803516 (CHEMBL1953264)	Inhibition of LTK
50034589	2	ChEMBL_803517 (CHEMBL1953265)	Inhibition of EPHA2
50034589	3	ChEMBL_803518 (CHEMBL1953266)	Inhibition of FGFR2
50034589	4	ChEMBL_803519 (CHEMBL1953267)	Inhibition of EGFR
50034589	5	ChEMBL_803520 (CHEMBL1953268)	Inhibition of MET
50034589	6	ChEMBL_803521 (CHEMBL1953269)	Inhibition of FLT3
50034589	7	ChEMBL_803522 (CHEMBL1953270)	Inhibition of IGF1R
50034589	9	ChEMBL_803524 (CHEMBL1953272)	Inhibition of DDR1
50034589	10	ChEMBL_803526 (CHEMBL1953274)	Inhibition of YES
50034589	11	ChEMBL_803527 (CHEMBL1953275)	Inhibition of Src
50034589	12	ChEMBL_803528 (CHEMBL1953276)	Inhibition of Fyn
50034589	13	ChEMBL_803529 (CHEMBL1953277)	Inhibition of Lyn
50034589	14	ChEMBL_803530 (CHEMBL1953278)	Inhibition of LCK
50034589	15	ChEMBL_803531 (CHEMBL1953279)	Inhibition of ABL
50034589	16	ChEMBL_803532 (CHEMBL1953280)	Inhibition of FAK
50034589	17	ChEMBL_803533 (CHEMBL1953281)	Inhibition of BRK
50034589	18	ChEMBL_803535 (CHEMBL1953283)	Inhibition of GSK3-beta
50034589	20	ChEMBL_803293 (CHEMBL1955118)	Inhibition of VEGFR2
50034589	21	ChEMBL_803537 (CHEMBL1953285)	Inhibition of CDK2
50034589	22	ChEMBL_803514 (CHEMBL1953262)	Inhibition of AXL
50034589	23	ChEMBL_803515 (CHEMBL1953263)	Inhibition of RON
50034590	1	ChEMBL_803688 (CHEMBL1953728)	Inhibition of human recombinant carbonic anhydrase 3 using carbon-dioxide as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	2	ChEMBL_803689 (CHEMBL1953729)	Inhibition of human recombinant carbonic anhydrase 7 using carbon-dioxide as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	3	ChEMBL_803691 (CHEMBL1953731)	Inhibition of S-glutathionylated form of human recombinant carbonic anhydrase 7 using carbon-dioxide as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	4	ChEMBL_803692 (CHEMBL1953732)	Inhibition of human recombinant carbonic anhydrase 3 hydrolysis activity using 4-nitrophenyl acetate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	5	ChEMBL_803693 (CHEMBL1953733)	Inhibition of human recombinant carbonic anhydrase 7 hydrolysis activity using 4-nitrophenyl acetate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	6	ChEMBL_803695 (CHEMBL1953735)	Inhibition of S-glutathionylated form of human recombinant carbonic anhydrase 7 hydrolysis activity using 4-nitrophenyl acetate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	7	ChEMBL_803696 (CHEMBL1953736)	Inhibition of human recombinant carbonic anhydrase 3 phosphatase activity using 4-nitrophenyl phosphate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	8	ChEMBL_803697 (CHEMBL1953737)	Inhibition of human recombinant carbonic anhydrase 7 phosphatase activity using 4-nitrophenyl phosphate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034590	9	ChEMBL_803699 (CHEMBL1953739)	Inhibition of S-glutathionylated form of human recombinant carbonic anhydrase 7 phosphatase activity using 4-nitrophenyl phosphate as substrate preincubated for 10 mins prior to substrate addition by stopped flow cytometry
50034591	1	ChEMBL_803899 (CHEMBL1954586)	Displacement of [3H]Ketanserin from rat cortex 5-HT2A receptor by liquid scintillation counter
50034591	2	ChEMBL_803898 (CHEMBL1954585)	Displacement of [3H]8-OH-DPAT from rat hippocampus 5-HT1A receptor by liquid scintillation counter
50034591	3	ChEMBL_803896 (CHEMBL1954583)	Displacement of [3H]5-CT form human cloned 5HT7 receptor expressed in human HEK293 cells by liquid scintillation counter
50034591	4	ChEMBL_803894 (CHEMBL1954581)	Displacement of [3H]-spiperone from rat striatum dopamine D2 receptor by liquid scintillation counter
50034591	5	ChEMBL_803897 (CHEMBL1954584)	Displacement of [3H]-LSD from human full length cloned 5HT6 receptor expressed in human HEK293 cells by liquid scintillation counter
50034592	1	ChEMBL_804055 (CHEMBL1952450)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50034592	2	ChEMBL_803919 (CHEMBL1954606)	Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain
50034592	3	ChEMBL_803920 (CHEMBL1954607)	Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes by patch clamp assay
50034592	4	ChEMBL_803922 (CHEMBL1954609)	Agonist activity at alpha3beta2 nAChR receptor by FLIPR assay
50034593	1	ChEMBL_804058 (CHEMBL1952453)	Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis
50034594	1	ChEMBL_804282 (CHEMBL1954427)	Agonist activity at CB1 receptor in field-stimulated mouse vas deferens
50034594	3	ChEMBL_804128 (CHEMBL1952693)	Inhibition of human MOR
50034594	4	ChEMBL_804129 (CHEMBL1952694)	Inhibition of human KOR
50034594	5	ChEMBL_804073 (CHEMBL1952638)	Agonist activity at CB1 receptor in rat brain tissue
50049133	1	ChEMBL_1654402 (CHEMBL4003768)	Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50034594	8	ChEMBL_804072 (CHEMBL1952637)	Binding affinity to human CB2 receptor
50034594	9	ChEMBL_804076 (CHEMBL1952641)	Partial agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by [35S]GTPgamma binding assay
50034594	10	ChEMBL_804275 (CHEMBL1954289)	Inhibition of CYP1A2
50034594	11	ChEMBL_804276 (CHEMBL1954290)	Inhibition of CYP2C9
50034594	12	ChEMBL_804277 (CHEMBL1954291)	Inhibition of CYP2C19
50034594	13	ChEMBL_804278 (CHEMBL1954292)	Inhibition of CYP2D6
50034594	14	ChEMBL_804279 (CHEMBL1954293)	Inhibition of CYP3A4
50034594	15	ChEMBL_804280 (CHEMBL1954425)	Inhibition of human Erg by voltage ion flux electrophysiological assay
50034595	1	ChEMBL_804288 (CHEMBL1954433)	Antagonist activity at dopamine D1 receptor
50034595	2	ChEMBL_804289 (CHEMBL1954434)	Antagonist activity at dopamine D2 receptor
50034596	1	ChEMBL_804470 (CHEMBL1952480)	Inhibition of CYP2D6
50034596	2	ChEMBL_804469 (CHEMBL1952479)	Inhibition of CYP2C19
50034596	3	ChEMBL_804468 (CHEMBL1952478)	Inhibition of CYP2C9
50034596	4	ChEMBL_804467 (CHEMBL1952477)	Inhibition of CYP1A2
50034596	5	ChEMBL_804459 (CHEMBL1952469)	Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding
50034596	6	ChEMBL_804458 (CHEMBL1952468)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
50034596	7	ChEMBL_804457 (CHEMBL1952467)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells
50034596	8	ChEMBL_804476 (CHEMBL1952486)	Inhibition of human Erg by patch clamp assay
50034596	9	ChEMBL_804471 (CHEMBL1952481)	Inhibition of CYP3A4
50034597	1	ChEMBL_804508 (CHEMBL1952518)	Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay
50034598	1	ChEMBL_804684 (CHEMBL1953206)	Inhibition of rat intestinal alpha-glucosidase maltase using maltose as substrate preincubated for 10 mins prior substrate addition measured after 40 mins by spectrophotometry
50034598	2	ChEMBL_804686 (CHEMBL1953208)	Inhibition of rat intestinal alpha-glucosidase sucrase using sucrose as substrate preincubated for 10 mins prior substrate addition measured after 40 mins by spectrophotometry
50034598	3	ChEMBL_804689 (CHEMBL1953211)	Inhibition of beta-galactosidase
50034599	1	ChEMBL_804692 (CHEMBL1953319)	Inhibition of mouse recombinant PrCP assessed as angiotensin 3 cleavage after 8 mins by LC/MS analysis
50034599	2	ChEMBL_804690 (CHEMBL1953317)	Inhibition of human recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis
50034599	3	ChEMBL_804691 (CHEMBL1953318)	Inhibition of mouse recombinant PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate after 30 mins by fluorescence analysis
50034600	1	ChEMBL_804719 (CHEMBL1953346)	Inverse agonist activity at histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgamma binding
50034600	2	ChEMBL_804723 (CHEMBL1953350)	Inhibition of CYP1A2
50034600	3	ChEMBL_804724 (CHEMBL1953351)	Inhibition of CYP2C9
50034600	4	ChEMBL_804725 (CHEMBL1953352)	Inhibition of CYP2C19
50034600	5	ChEMBL_804726 (CHEMBL1953353)	Inhibition of CYP2D6
50034600	6	ChEMBL_804727 (CHEMBL1953354)	Inhibition of CYP3A4
50034600	7	ChEMBL_804715 (CHEMBL1953342)	Displacement of [3H]NAMH from human histamine H3 receptor
50034600	8	ChEMBL_804714 (CHEMBL1953341)	Displacement of [3H]NAMH from rat histamine H3 receptor
50034601	1	ChEMBL_804873 (CHEMBL1953791)	Inhibition of human recombinant PDE4B2-mediated cAMP hydrolysis for 30 mins by colorimetric assay
50034602	1	ChEMBL_804877 (CHEMBL1953925)	Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's method
50034603	1	ChEMBL_804895 (CHEMBL1953943)	Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate pre-incubated for 60 mins prior to mRNA addition by luciferase reporter gene assay
50034603	2	ChEMBL_804894 (CHEMBL1953942)	Inhibition of eIF4E-mediated mRNA translation in rabbit reticulocyte lysate by luciferase reporter gene assay
50034604	1	ChEMBL_805078 (CHEMBL1955556)	Inhibition of iNOS assessed as conversion of L-[3H]arginine to L-[3H]-citrulline after 30 mins by scintillation counting
50034605	1	ChEMBL_805242 (CHEMBL1955135)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells membrane after 2 hrs by liquid scintillation counting
50049133	2	ChEMBL_1654403 (CHEMBL4003769)	Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50034605	3	ChEMBL_805244 (CHEMBL1955137)	Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells membrane after 2 hrs by liquid scintillation counting
50034606	1	ChEMBL_802703 (CHEMBL1953229)	Inhibition of factor 10a using S-2222 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry
50034606	2	ChEMBL_802704 (CHEMBL1953230)	Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assay
50034606	3	ChEMBL_802701 (CHEMBL1953227)	Inhibition of thrombin using S-2238 as substrate preincubated for 15 mins prior substrate addition measured for every 10 secs by spectrophotometry
50034607	1	ChEMBL_802708 (CHEMBL1953234)	Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry
50049133	3	ChEMBL_1654406 (CHEMBL4003772)	Inhibition of human CDK1/cyclinB using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50049133	4	ChEMBL_1654400 (CHEMBL4003766)	Inhibition of mouse His6-tagged SRPK1 expressed in Escherichia coli(BL21)
50034608	2	ChEMBL_805487 (CHEMBL1955380)	Inhibition of COX-1-mediated TXB2 production in human whole blood after 15 mins post A23187 stimulation by RIA
50049133	5	ChEMBL_1654407 (CHEMBL4003773)	Inhibition of human CDK4/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50049133	6	ChEMBL_1654399 (CHEMBL4003765)	Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as MDM2-pre mRNA exon skipping after 4 hrs by luciferase reporter gene assay relative to control
50049133	7	ChEMBL_1654405 (CHEMBL4003771)	Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50034608	4	ChEMBL_805488 (CHEMBL1955381)	Inhibition of COX-2-mediated PGE2 production in LPS-induced human whole blood after 24 hrs by RIA
50034609	1	ChEMBL_805594 (CHEMBL1955487)	Inhibition of 6-His-tagged human recombinant c-met using 5FAM-KKKSPGEYVNIGFG-NH2 as substrate after overnight incubation by TR-FRET assay
50034609	2	ChEMBL_805593 (CHEMBL1955486)	Inhibition of c-Met phosphorylation in human MKN45 cells after 1 hr by Western blot analysis
50034610	1	ChEMBL_805607 (CHEMBL1955500)	Inhibition of human recombinant His6-tagged PIM1 expressed in Sf21 cells using RSRHSSYPAGT as substrate after 30 mins
50034610	2	ChEMBL_805610 (CHEMBL1955503)	Inhibition of human recombinant His6-tagged PIM3 expressed in Sf21 cells using RSRHSSYPAGT as substrate after 30 mins
50034610	3	ChEMBL_805611 (CHEMBL1955504)	Inhibition of human recombinant PIM2 expressed in Escherichia coli using RSRHSSYPAGT as substrate after 30 mins
50034611	1	ChEMBL_805620 (CHEMBL1955513)	Inhibition of TNF-alpha-induced NF-kappaB p65 nuclear translocation in human A549 cells after 2 hrs by fluorescence assay
50034612	1	ChEMBL_806390 (CHEMBL1959232)	Inhibition of recombinant cytoplasmic domain of PDGFRbeta autophosphorylation expressed in baculovirus infected Sf21 insect cells using [gamma-33P]ATP by SDS-PAGE based scintillation counting
50034612	2	ChEMBL_806393 (CHEMBL1959322)	Inhibition of recombinant cytoplasmic domain of PDGFRbeta expressed in baculovirus infected Sf21 insect cells assessed as tyrosine phosphorylation treated 30 hrs after infection measured after 48 hrs of post infection by Western blotting
50034613	1	ChEMBL_806394 (CHEMBL1959323)	Inhibition of recombinant human GST-tagged CFMS kinase catalytic domain using biotin-EAIYAPFAKKK-NH2 as substrate after 40 mins by NXT scintillation counting
50034613	2	ChEMBL_806395 (CHEMBL1959324)	Inhibition of recombinant human His-tagged B-RAF after 60 mins by fluorescence polarization assay
50034613	3	ChEMBL_806396 (CHEMBL1959325)	Inhibition of recombinant human GST-tagged CDK4 catalytic domain after 30 mins by liquid scintillation counting
50034613	4	ChEMBL_806397 (CHEMBL1959326)	Inhibition of human cKIT catalytic domain after by scintillation counting
50034613	5	ChEMBL_806398 (CHEMBL1959327)	Inhibition of human GST-tagged c-SRC autophosphorylation using biotin-(6-amino caproic acid)-AAAQQIYGQ-NH2 as substrate after 40 mins by homogenous time-resolved fluorescence method
50034613	6	ChEMBL_806399 (CHEMBL1959328)	Inhibition of human His-tagged EGFR using biotin-amino hexanoic acid-RAHEEIYHFFFAKKK-NH2 as substrate after 15 mins by scintillation proximity assay
50034613	7	ChEMBL_806400 (CHEMBL1959329)	Inhibition of human His-tagged ERBB2 using biotin-amino hexanoic acid-RAHEEIYHFFFAKKK-NH2 as substrate after 15 mins by scintillation proximity assay
50034613	8	ChEMBL_806401 (CHEMBL1959330)	Inhibition of human His-tagged ERBB4 using biotin-amino hexanoic acid-RAHEEIYHFFFAKKK-NH2 as substrate after 15 mins by scintillation proximity assay
50034613	9	ChEMBL_806402 (CHEMBL1959331)	Inhibition of recombinant human GST-tagged ERK2 after 60 mins by fluorescence polarization assay
50034613	10	ChEMBL_806404 (CHEMBL1959333)	Inhibition of human His-tagged GSK-3b using biotin-6-amino caproic acid-AAAKRREILSRRPS(PO3)YR-amide as substrate after 19 mins by NXT scintillation counting
50034613	11	ChEMBL_806405 (CHEMBL1959334)	Inhibition of human ITK
50034613	12	ChEMBL_806406 (CHEMBL1959335)	Inhibition of human JAK2 catalytic domain after by scintillation counting
50034613	13	ChEMBL_806407 (CHEMBL1959336)	Inhibition of human JNK3
50034613	14	ChEMBL_806408 (CHEMBL1959337)	Inhibition of mouse LCK
50034613	15	ChEMBL_806409 (CHEMBL1959338)	Inhibition of human His-tagged MK2 using K(biotin)KLNRTLSVA as substrate after 2 hrs by scintillation counting
50034613	16	ChEMBL_806411 (CHEMBL1959340)	Inhibition of human PDGFR-1b
50034613	17	ChEMBL_806412 (CHEMBL1959341)	Inhibition of human His-tagged PDHK4 using biotin-YHGHSMSDPGVSYRRR-amide as substrate after 20 mins by scintillation proximity assay
50034613	18	ChEMBL_806414 (CHEMBL1959343)	Inhibition of human GST-tagged PLK1 using biotin-amino hexanoic acid-SFNDTLDFD-NH2 as substrate after 15 mins by scintillation proximity assay
50034613	20	ChEMBL_806416 (CHEMBL1959345)	Inhibition of human PKCb1 catalytic domain after by scintillation counting
50034613	21	ChEMBL_806417 (CHEMBL1959346)	Inhibition of human His-tagged PKCz using biotin-(amino hexanoic acid)-FKLKRKGSFKKFA-CONH2 as substrate after 40 mins by scintillation proximity assay
50034613	22	ChEMBL_806418 (CHEMBL1959347)	Inhibition of human SYK
50034613	23	ChEMBL_806419 (CHEMBL1959348)	Inhibition of human GST-tagged Tie2 using biotin-(6-amino caproic acid)-LEARLVAYEGWVAGKKK-NH2 after 2 hrs by homogenous time-resolved fluorescence method
50034613	24	ChEMBL_806420 (CHEMBL1959349)	Inhibition of human GST-tagged VEGFR2 catalytic domain using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate after 40 mins by homogenous time-resolved fluorescence method
50034613	25	ChEMBL_806403 (CHEMBL1959332)	Inhibition of human FLT3 catalytic domain after by scintillation counting
50034614	1	ChEMBL_807029 (CHEMBL1959421)	Inhibition of Src using fluorescent substrate by IMAP assay
50034614	2	ChEMBL_807031 (CHEMBL1959423)	Inhibition of IGF1R using fluorescent substrate by IMAP assay
50034614	4	ChEMBL_807030 (CHEMBL1959422)	Inhibition of Lck using fluorescent substrate by IMAP assay
50034614	5	ChEMBL_807036 (CHEMBL1959428)	Inhibition of ERK1 using fluorescent substrate by IMAP assay
50034614	6	ChEMBL_807028 (CHEMBL1959420)	Inhibition of c-Met using fluorescent substrate by IMAP assay
50034615	1	ChEMBL_807418 (CHEMBL1960789)	Inhibition of RSK1
50034615	2	ChEMBL_807419 (CHEMBL1960790)	Inhibition of MSK1
50034615	3	ChEMBL_807420 (CHEMBL1960791)	Inhibition of AKT1
50034615	4	ChEMBL_807421 (CHEMBL1960792)	Inhibition of AKT2
50034615	5	ChEMBL_807422 (CHEMBL1960793)	Inhibition of AKT3
50034615	6	ChEMBL_807423 (CHEMBL1960794)	Inhibition of CDK2
50034615	7	ChEMBL_807424 (CHEMBL1960795)	Inhibition of GSK3alpha
50034615	8	ChEMBL_807425 (CHEMBL1960796)	Inhibition of IKK2
50034615	9	ChEMBL_807557 (CHEMBL1958879)	Inhibition of JNK3
50034615	10	ChEMBL_807558 (CHEMBL1958880)	Inhibition of PLK
50034615	11	ChEMBL_807416 (CHEMBL1960787)	Inhibition of human recombinant N-terminal his-tagged ROCK1 (3-543) expressed in baculovirus infected Sf9 cells using Biotin-Ahx-AKRRLSSLRA-CONH2 substrate and [gamma-33P]ATP after 90 mins by scintillation proximity assay
50034615	12	ChEMBL_807417 (CHEMBL1960788)	Inhibition of human ROCK2
50034616	1	ChEMBL_807583 (CHEMBL1959026)	Inhibition of MEK1
50034616	2	ChEMBL_807584 (CHEMBL1959027)	Inhibition of MEK1 in human LOX cells assessed as inhibition of ERK phosphorylation by Western blot analysis
50034616	3	ChEMBL_807585 (CHEMBL1959028)	Inhibition of MEK1 in human HT-29 cells assessed as inhibition of ERK phosphorylation by Western blot analysis
50034616	4	ChEMBL_807586 (CHEMBL1959029)	Inhibition of MEK1 in human H460 cells assessed as inhibition of ERK phosphorylation by Western blot analysis
50034616	5	ChEMBL_807587 (CHEMBL1959030)	Inhibition of MEK1 in human MIA PaCa-2 cells assessed as inhibition of ERK phosphorylation by Western blot analysis
50034617	1	ChEMBL_808150 (CHEMBL1960867)	Binding affinity to AChE in rat brain homogenate
50034617	2	ChEMBL_808159 (CHEMBL1960876)	Inhibition of BuChE using butyrylthiocholine as substrate after 20 mins by Ellman's method
50034617	3	ChEMBL_808157 (CHEMBL1960874)	Inhibition of recombinant AChE using acetylthiocholine as substrate after 1 hr by Ellman's method
50034618	1	ChEMBL_808186 (CHEMBL1961098)	Inhibition of human C-terminal hexa-His tagged DHODH expressed in Escherichia coli by DCIP reduction assay
50034619	1	ChEMBL_805716 (CHEMBL1960739)	Binding affinity to recombinant GST-tagged human hnRNP A1 expressed in Escherichia coli using QCM biosensor by Scatchard plot analysis
50034620	1	ChEMBL_805903 (CHEMBL1960084)	Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells
50034620	2	ChEMBL_805902 (CHEMBL1960083)	Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells
50034620	3	ChEMBL_805907 (CHEMBL1960235)	Antagonist activity at human recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding
50034620	4	ChEMBL_805908 (CHEMBL1960236)	Antagonist activity at rat recombinant 5HT3 receptor assessed as inhibition of RAMH-induced [35S]GTPgammaS binding
50034620	5	ChEMBL_805911 (CHEMBL1960239)	Inhibition of CYP1A2
50034620	6	ChEMBL_805912 (CHEMBL1960240)	Inhibition of CYP2C9
50034620	7	ChEMBL_805913 (CHEMBL1960241)	Inhibition of CYP2C19
50034620	8	ChEMBL_805914 (CHEMBL1960242)	Inhibition of CYP2D6
50034620	9	ChEMBL_805915 (CHEMBL1960243)	Inhibition of CYP3A4
50034621	1	ChEMBL_806301 (CHEMBL1959065)	Binding affinity to BRD4-BD1 by isothermal titration calorimetry
50034621	2	ChEMBL_806308 (CHEMBL1959072)	Binding affinity to BRD4 by isothermal titration calorimetry
50034622	1	ChEMBL_806309 (CHEMBL1959073)	Inhibition of ovine COX1
50034622	2	ChEMBL_806310 (CHEMBL1959074)	Inhibition of human recombinant COX2
50034623	1	ChEMBL_806322 (CHEMBL1959086)	Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mins by luminescence counting
50034623	2	ChEMBL_806323 (CHEMBL1959087)	Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay
50034624	1	ChEMBL_806471 (CHEMBL1959510)	Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production after 150 mins by scintillation counting
50034624	2	ChEMBL_806472 (CHEMBL1959511)	Displacement of [125I]-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells
50034624	3	ChEMBL_806473 (CHEMBL1959512)	Binding affinity to human adenosine A2A receptor
50034624	4	ChEMBL_806474 (CHEMBL1959513)	Binding affinity to human adenosine A1 receptor
50034624	5	ChEMBL_806475 (CHEMBL1959514)	Binding affinity to human adenosine A3 receptor
50034624	6	ChEMBL_806476 (CHEMBL1959515)	Binding affinity to human adenosine A2B receptor
50034624	7	ChEMBL_806479 (CHEMBL1959518)	Binding affinity to human adenosine A2B receptor at 10 uM
50034624	8	ChEMBL_806481 (CHEMBL1959520)	Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in CHO cells
50034624	9	ChEMBL_806466 (CHEMBL1959505)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting
50034624	10	ChEMBL_806467 (CHEMBL1959506)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting
50034624	11	ChEMBL_806468 (CHEMBL1959507)	Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting
50034624	12	ChEMBL_806469 (CHEMBL1959508)	Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting
50034625	1	ChEMBL_806484 (CHEMBL1959523)	Inhibition of bovine pancreas carboxypeptidase A using N-(4-methoxyphenylazoformyl)-phenylalanine as substrate after 5 mins by colorimetry
50034626	1	ChEMBL_806489 (CHEMBL1959528)	Inhibition of human recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	2	ChEMBL_806490 (CHEMBL1959623)	Inhibition of human recombinant eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	3	ChEMBL_806491 (CHEMBL1959624)	Inhibition of human recombinant iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	4	ChEMBL_806517 (CHEMBL1959650)	Displacement of [3H]nisoxetine from human recombinant norepinephrine transporter expressed in CHO cells after 120 mins
50034626	5	ChEMBL_806494 (CHEMBL1959627)	Inhibition of rat recombinant nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	6	ChEMBL_806495 (CHEMBL1959628)	Inhibition of rat recombinant eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	7	ChEMBL_806496 (CHEMBL1959629)	Inhibition of rat recombinant iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline incubated for 15 mins prior to substrate addition measured after 45 mins by liquid scintillation counting
50034626	8	ChEMBL_806502 (CHEMBL1959635)	Inhibition of human Erg expressed in HEK293 cells by patch clamp assay
50034627	1	ChEMBL_806642 (CHEMBL1960125)	Inhibition of human MMP8
50034627	3	ChEMBL_806644 (CHEMBL1960127)	Inhibition of human MMP10
50034627	4	ChEMBL_806645 (CHEMBL1960128)	Inhibition of human MMP12
50034627	5	ChEMBL_806646 (CHEMBL1960129)	Inhibition of human MMP13
50034627	7	ChEMBL_806648 (CHEMBL1960131)	Inhibition of human MMP15
50034627	8	ChEMBL_806649 (CHEMBL1960132)	Inhibition of human MMP16
50034627	9	ChEMBL_806650 (CHEMBL1960133)	Inhibition of human MMP20
50034627	10	ChEMBL_806651 (CHEMBL1960134)	Inhibition of human MMP24
50034627	11	ChEMBL_806652 (CHEMBL1960135)	Inhibition of human MMP25
50034627	12	ChEMBL_806653 (CHEMBL1960136)	Inhibition of human MMP26
50034627	13	ChEMBL_806654 (CHEMBL1960137)	Inhibition of human TACE
50034627	14	ChEMBL_806656 (CHEMBL1960298)	Inhibition of human norepinephrine transporter
50034627	15	ChEMBL_806638 (CHEMBL1960121)	Inhibition of human MMP1
50034627	16	ChEMBL_806639 (CHEMBL1960122)	Inhibition of human MMP2
50034627	17	ChEMBL_806640 (CHEMBL1960123)	Inhibition of human MMP3
50034627	18	ChEMBL_806641 (CHEMBL1960124)	Inhibition of human MMP7
50034628	1	ChEMBL_806669 (CHEMBL1960311)	Agonist activity at human PPARalpha assessed as transactivation activity
50034628	2	ChEMBL_806670 (CHEMBL1960312)	Agonist activity at human PPARdelta assessed as transactivation activity
50034629	1	ChEMBL_806671 (CHEMBL1960313)	Displacement of extracellular matrix protein fibrinogen from human integrin alpha2bbeta3 after 1 hr by competitive ELISA
50034629	2	ChEMBL_806672 (CHEMBL1960314)	Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry
50049133	8	ChEMBL_1654404 (CHEMBL4003770)	Inhibition of human CLK3 using ERMRPRKRQGSVRRRV as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50034631	1	ChEMBL_806858 (CHEMBL1958986)	Inhibition of cMET
50034631	2	ChEMBL_806857 (CHEMBL1958985)	Inhibition of AXL
50034631	3	ChEMBL_806851 (CHEMBL1958979)	Inhibition of Tie2
50034631	4	ChEMBL_806852 (CHEMBL1958980)	Inhibition of FGFR3
50034631	5	ChEMBL_806854 (CHEMBL1958982)	Inhibition of KDR
50034631	6	ChEMBL_806853 (CHEMBL1958981)	Inhibition of PDGFR-beta
50034631	7	ChEMBL_806856 (CHEMBL1958984)	Inhibition of human recombinant FLT3 by radiometric assay
50034631	8	ChEMBL_806914 (CHEMBL1959137)	Inhibition of VEGFR2
50034631	9	ChEMBL_806913 (CHEMBL1959136)	Inhibition of FLT3
50034631	10	ChEMBL_806912 (CHEMBL1959135)	Inhibition of c-KIT-mediated ERK 1/2 phosphorylation in human TF1 cells at 4 to 12 nM after 1 hr by immunoblot analysis
50034631	11	ChEMBL_806911 (CHEMBL1959134)	Inhibition of SCF-induced phosphorylation of c-KIT in human TF1 cells after 1 hr by immunoblot analysis
50034631	12	ChEMBL_806855 (CHEMBL1958983)	Inhibition of human recombinant c-Kit by radiometric assay
50034631	13	ChEMBL_806864 (CHEMBL1958992)	Inhibition of ABL
50034631	14	ChEMBL_806863 (CHEMBL1958991)	Inhibition of Lyn
50034631	15	ChEMBL_806862 (CHEMBL1958990)	Inhibition of LCK
50034631	16	ChEMBL_806861 (CHEMBL1958989)	Inhibition of Src
50034631	17	ChEMBL_806860 (CHEMBL1958988)	Inhibition of Jak3
50034631	18	ChEMBL_806859 (CHEMBL1958987)	Inhibition of SYK
50034632	1	ChEMBL_807088 (CHEMBL1959666)	Inhibition of human thymidylate kinase using dTMP as substrate after 30 mins by fluorescence analysis
50034632	2	ChEMBL_807092 (CHEMBL1959670)	Inhibition of Mycobacterium tuberculosis thymidylate kinase
50034633	1	ChEMBL_807242 (CHEMBL1960172)	Inhibition of CYP2C19
50034633	2	ChEMBL_807239 (CHEMBL1960169)	Inhibition of rat SERT-mediated serotonin reuptake
50034633	3	ChEMBL_807238 (CHEMBL1960168)	Inhibition of rat NET-mediated norepinephrine reuptake
50034633	4	ChEMBL_807237 (CHEMBL1960167)	Inhibition of rat DAT-mediated dopamine reuptake
50034633	5	ChEMBL_807236 (CHEMBL1960166)	Inhibition of rat DAT
50034634	1	ChEMBL_807246 (CHEMBL1960176)	Antagonist activity at mouse neuropeptide Y5 receptor
50034635	1	ChEMBL_807283 (CHEMBL1960376)	Inhibition of AKT1
50034635	2	ChEMBL_807284 (CHEMBL1960377)	Inhibition of AKT2
50034635	3	ChEMBL_807285 (CHEMBL1960378)	Inhibition of ALK5
50034635	4	ChEMBL_807286 (CHEMBL1960379)	Inhibition of ASK1
50034635	5	ChEMBL_807287 (CHEMBL1960380)	Inhibition of AurA
50034635	6	ChEMBL_807288 (CHEMBL1960381)	Inhibition of EGFR
50034635	7	ChEMBL_807289 (CHEMBL1960382)	Inhibition of IKK-beta
50034635	9	ChEMBL_807291 (CHEMBL1960384)	Inhibition of ITK
50034635	10	ChEMBL_807292 (CHEMBL1960385)	Inhibition of JNK1
50034635	11	ChEMBL_807293 (CHEMBL1960386)	Inhibition of LCK
50034635	12	ChEMBL_807294 (CHEMBL1960387)	Inhibition of PAK1
50034635	13	ChEMBL_807295 (CHEMBL1960388)	Inhibition of PDK1
50034635	14	ChEMBL_807296 (CHEMBL1960389)	Inhibition of ROCK1
50034635	15	ChEMBL_807297 (CHEMBL1960390)	Inhibition of SYK
50034635	16	ChEMBL_807298 (CHEMBL1960391)	Inhibition of VEGFR2
50049133	9	ChEMBL_1654408 (CHEMBL4003774)	Inhibition of human CDK6/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter method
50034637	1	ChEMBL_807436 (CHEMBL1960807)	Binding affinity to BRD2-BD1 by isothermal titration calorimetry
50034637	2	ChEMBL_807438 (CHEMBL1958560)	Binding affinity to BRD3-BD1 by isothermal titration calorimetry
50034637	3	ChEMBL_807437 (CHEMBL1958559)	Binding affinity to BRD3-BD2 by isothermal titration calorimetry
50034637	4	ChEMBL_807439 (CHEMBL1958561)	Binding affinity to BRD4-BD1 by isothermal titration calorimetry
50034637	5	ChEMBL_807440 (CHEMBL1958562)	Binding affinity to BRD4-BD2 by isothermal titration calorimetry
50034637	6	ChEMBL_807441 (CHEMBL1958563)	Binding affinity to BRDT-BD1 by isothermal titration calorimetry
50034637	7	ChEMBL_807446 (CHEMBL1958568)	Displacement of acetylated histone peptide from BRD4-BD1 by luminescence proximity homogenous assay
50034637	8	ChEMBL_807447 (CHEMBL1958569)	Displacement of acetylated histone peptide from BRD4-BD2 by luminescence proximity homogenous assay
50034637	9	ChEMBL_807448 (CHEMBL1958570)	Displacement of acetylated histone peptide from CREBBP by luminescence proximity homogenous assay
50034637	10	ChEMBL_807445 (CHEMBL1958567)	Binding affinity to BRD2-BD1 by SPR spectroscopy
50034637	11	ChEMBL_807449 (CHEMBL1958571)	Displacement of acetylated histone peptide from BRD2-BD1,2 by FRET assay
50034637	12	ChEMBL_807450 (CHEMBL1958572)	Displacement of acetylated histone peptide from BRD3-BD1,2 by FRET assay
50034637	13	ChEMBL_807451 (CHEMBL1958573)	Displacement of acetylated histone peptide from BRD4-BD1,2 by FRET assay
50034637	14	ChEMBL_807442 (CHEMBL1958564)	Binding affinity to BRD2-BD1,2 by isothermal titration calorimetry
50034637	15	ChEMBL_807443 (CHEMBL1958565)	Binding affinity to BRD3-BD1,2 by isothermal titration calorimetry
50034637	16	ChEMBL_807444 (CHEMBL1958566)	Binding affinity to BRD4-BD1,2 by isothermal titration calorimetry
50034638	1	ChEMBL_807634 (CHEMBL1960196)	Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline
50034638	2	ChEMBL_807635 (CHEMBL1960197)	Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline
50034638	3	ChEMBL_807636 (CHEMBL1960198)	Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline
50034638	4	ChEMBL_807641 (CHEMBL1960203)	Inhibition of human CYP2C9
50034638	5	ChEMBL_807642 (CHEMBL1960204)	Inhibition of human CYP2C19
50034638	6	ChEMBL_807643 (CHEMBL1960205)	Inhibition of human CYP3A4
50034638	7	ChEMBL_807644 (CHEMBL1960206)	Inhibition of human CYP1A2
50034638	8	ChEMBL_807645 (CHEMBL1960207)	Inhibition of human CYP2D6
50034638	9	ChEMBL_807647 (CHEMBL1960209)	Inhibition of rat nNOS
50034639	1	ChEMBL_807649 (CHEMBL1960211)	Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs
50034639	2	ChEMBL_807650 (CHEMBL1960212)	Inhibition of human recombinant full length PDE2A3 using cAMP as substrate preincubated for 20 mins measured after 4 hrs
50034639	3	ChEMBL_807652 (CHEMBL1960214)	Inhibition of human recombinant PDE4B catalytic domain using cAMP as substrate preincubated for 20 mins measured after 4 hrs
50034639	4	ChEMBL_807653 (CHEMBL1960215)	Inhibition of human recombinant DHODH transmembrane domain using 2,6-dichloroindophenol sodium, L-Dihydroorotic acid, and decylubiquinone as substrate mix after 30 mins by microplate reader
50034640	1	ChEMBL_807677 (CHEMBL1959442)	Inhibition of HDAC1
50034640	2	ChEMBL_807676 (CHEMBL1959441)	Inhibition of HDAC2
50034641	1	ChEMBL_807853 (CHEMBL1960000)	Displacement of [3H]-astemizole from human ERG expressed in CHO-K1 cells membrane
50034641	2	ChEMBL_807815 (CHEMBL1959593)	Inhibition of PI3K p110alpha/p85alpha-mediated AKT1 phosphorylation at Ser473 in human U2OS cells
50034641	3	ChEMBL_807816 (CHEMBL1959594)	Inhibition of mTOR
50034641	4	ChEMBL_807814 (CHEMBL1959592)	Inhibition of PI3K p110alpha/p85alpha
50034642	1	ChEMBL_808015 (CHEMBL1961074)	Inhibition of human recombinant ALK5 activity in human A549 cells assessed as TGFbeta-induced smad2/3 phosphorylation after 2 hrs by fluorescence assay
50034642	2	ChEMBL_808007 (CHEMBL1961066)	Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA
50034643	1	ChEMBL_808016 (CHEMBL1961075)	Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorimetry
50034643	2	ChEMBL_808017 (CHEMBL1961076)	Inhibition of human recombinant renin using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 mins prior to substrate addition measure after 1 hr by fluorimetry in the presence of human plasma
50034643	3	ChEMBL_808018 (CHEMBL1961077)	Inhibition of human ERG
50034644	1	ChEMBL_808062 (CHEMBL1961170)	Displacement of [125I]-DOI from recombinant human 5HT2C receptor
50034644	2	ChEMBL_808063 (CHEMBL1961171)	Displacement of [125I]-DOI from recombinant human 5HT2A receptor
50034644	3	ChEMBL_808069 (CHEMBL1961177)	Inhibition of human ERG by patch-clamp assay
50034644	4	ChEMBL_808064 (CHEMBL1961172)	Inhibition of CYP1A2 in human liver microsomes
50034644	5	ChEMBL_808065 (CHEMBL1961173)	Inhibition of CYP2C9 in human liver microsomes
50034644	6	ChEMBL_808066 (CHEMBL1961174)	Inhibition of CYP219 in human liver microsomes
50034644	7	ChEMBL_808067 (CHEMBL1961175)	Inhibition of CYP2D6 in human liver microsomes
50034644	8	ChEMBL_808068 (CHEMBL1961176)	Inhibition of CYP3A4 in human liver microsomes
50034645	1	ChEMBL_808206 (CHEMBL1961118)	Inhibition of GSK3-beta
50034645	2	ChEMBL_808205 (CHEMBL1961117)	Inhibition of GSK3-beta in human RD cells
50034645	3	ChEMBL_808198 (CHEMBL1961110)	Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition
50034646	1	ChEMBL_808211 (CHEMBL1961123)	Inhibition of 5-lipoxygenase in S100 cell free fraction of human polymorphonuclear leukocytes assessed as reduction in 5-LO product formation preincubated for 15 mins measured after 10 mins by HPLC analysis
50034646	2	ChEMBL_808213 (CHEMBL1961125)	Inhibition of 5-lipoxygenase
50034646	3	ChEMBL_808210 (CHEMBL1961122)	Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as reduction in A23187 and AA-stimulated 5-LO product formation preincubated for 15 mins prior stimulation measured after 10 mins by HPLC analysis
50034647	1	ChEMBL_808214 (CHEMBL1961126)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cell membrane after 30 mins by Scintillation counting
50034648	1	ChEMBL_808454 (CHEMBL1961030)	Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting
50034648	2	ChEMBL_808456 (CHEMBL1961032)	Inhibition of CDC7/DBF4-mediated MCM2 phosphorylation in human HCT116 cells after 6 hrs by spectrophotometric analysis
50034649	1	ChEMBL_805768 (CHEMBL1958511)	Antagonist activity at human TRPM8 by calcium flux assay
50034649	2	ChEMBL_805767 (CHEMBL1958510)	Antagonist activity at rat TRPM8 by calcium flux assay
50034649	3	ChEMBL_805766 (CHEMBL1958509)	Inhibition of recombinant CYP3A4
50034649	4	ChEMBL_805765 (CHEMBL1958508)	Inhibition of recombinant CYP2C9
50034649	5	ChEMBL_805764 (CHEMBL1958507)	Inhibition of recombinant CYP2C19
50034649	6	ChEMBL_805763 (CHEMBL1958506)	Inhibition of recombinant CYP2D6
50034649	7	ChEMBL_805762 (CHEMBL1958505)	Inhibition of recombinant CYP1A2
50034649	8	ChEMBL_805761 (CHEMBL1958504)	Inhibition of CYP3A4 in human liver microsomes
50034649	9	ChEMBL_805760 (CHEMBL1958503)	Inhibition of CYP2C19 in human liver microsomes
50034649	10	ChEMBL_805772 (CHEMBL1958515)	Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium flux by FLIPR assay
50034650	1	ChEMBL_805782 (CHEMBL1958525)	Inhibition of human aromatase coexpressed with P450 reductase by fluorimetry
50034651	1	ChEMBL_805954 (CHEMBL1960282)	Inhibition of recombinant PI3Kalpha by HTRF assay
50034651	2	ChEMBL_805955 (CHEMBL1960283)	Inhibition of recombinant PI3Kbeta HTRF assay
50034651	3	ChEMBL_805956 (CHEMBL1960284)	Inhibition of recombinant PI3Kgamma HTRF assay
50034651	4	ChEMBL_805957 (CHEMBL1960285)	Inhibition of recombinant PI3Kdelta HTRF assay
50034651	5	ChEMBL_805786 (CHEMBL1958529)	Inhibition of telomerase
50034652	1	ChEMBL_805974 (CHEMBL1960410)	Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galactosidase reporter gene assay
50034652	2	ChEMBL_805973 (CHEMBL1960409)	Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galactosidase reporter gene assay
50034653	1	ChEMBL_806009 (CHEMBL1960445)	Competitive inhibition of ovine COX1 by enzyme immunoassay
50034653	2	ChEMBL_806010 (CHEMBL1960446)	Competitive inhibition of human recombinant COX2 by enzyme immunoassay
50034654	1	ChEMBL_806011 (CHEMBL1960447)	Inhibition of rat DAT
50034654	2	ChEMBL_806012 (CHEMBL1960448)	Inhibition of rat DAT-mediated uptake
50034654	3	ChEMBL_806014 (CHEMBL1960450)	Inhibition of rat NET-mediated uptake
50034654	4	ChEMBL_806084 (CHEMBL1960687)	Inhibition of rat SERT-mediated uptake
50034654	5	ChEMBL_806085 (CHEMBL1960688)	Inhibition of CYP2C19 in human microsome
50034654	6	ChEMBL_806086 (CHEMBL1960689)	Inhibition of CYP3A4 in human microsome
50034654	7	ChEMBL_806087 (CHEMBL1960690)	Inhibition of CYP3A5 in human microsome
50034654	8	ChEMBL_806088 (CHEMBL1960691)	Inhibition of CYP2D6 in human microsome
50034654	9	ChEMBL_806089 (CHEMBL1960692)	Inhibition of CYP2C9 in human microsome
50034655	1	ChEMBL_806106 (CHEMBL1960709)	Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins incubation by Ellman's method
50034655	2	ChEMBL_806107 (CHEMBL1960710)	Inhibition of equine serum BChE after 15 mins incubation by spectrophotometry based Ellman's method
50034655	3	ChEMBL_806111 (CHEMBL1960714)	Non-competitive inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholineiodide after 15 mins incubation by spectrophotometry
50034656	1	ChEMBL_806119 (CHEMBL1960722)	Inhibition of MAPKAPK5
50034656	2	ChEMBL_806118 (CHEMBL1960721)	Inhibition of MAPKAPK5 in synovial fibroblast from rheumatoid arthritis patient assessed as inhibition of TNF-alpha-induced MMP1 expression incubated for 30 mins prior to TNFalpha-challenge measured after 48 hrs by ELISA
50034657	1	ChEMBL_806234 (CHEMBL1958775)	Agonist activity at human PPARgamma expressed in CHO cells co-transfected with pGL3-PPRE3-TK-luc assessed as transactivation after 24 hrs by firefly luciferase reporter gene assay
50034658	1	ChEMBL_806241 (CHEMBL1958782)	Inhibition of MAPK p38alpha
50034659	1	ChEMBL_806242 (CHEMBL1958783)	Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting
50049133	10	ChEMBL_1654409 (CHEMBL4003775)	Inhibition of CLK mediated SF3B1 activation in human HeLa cells assessed as MDM2-pre mRNA exon skipping by luciferase reporter gene assay
50034660	2	ChEMBL_806260 (CHEMBL1958906)	Displacement of AbuRPF-K(5-Fam)-NH2 from recombinant human His-tagged-XIAP BIR3 domain after 3 hrs by fluorescence polarization assay
50034661	1	ChEMBL_806356 (CHEMBL1959198)	Inhibition of CYP3A4 after 30 mins by fluorescence assay
50034662	1	ChEMBL_806706 (CHEMBL1958666)	Displacement of [3H]DAMGO from human mu opioid receptor
50034662	2	ChEMBL_806704 (CHEMBL1958664)	Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay
50034663	1	ChEMBL_806712 (CHEMBL1958672)	Inhibition of PI3Kbeta by time-resolved FRET displacement assay
50034663	2	ChEMBL_806713 (CHEMBL1958673)	Inhibition of PI3Kdelta by time-resolved FRET displacement assay
50034663	3	ChEMBL_806714 (CHEMBL1958674)	Inhibition of PI3Kgamma by time-resolved FRET displacement assay
50034663	4	ChEMBL_806715 (CHEMBL1958675)	Inhibition of PI3Kbeta-mediated AKT SER473 phosphorylation in human MDA-MB-468 cells after 30 mins
50034663	5	ChEMBL_806710 (CHEMBL1958670)	Inhibition of PI3Kbeta
50034663	6	ChEMBL_806711 (CHEMBL1958671)	Inhibition of PI3Kalpha by time-resolved FRET displacement assay
50034664	1	ChEMBL_806717 (CHEMBL1958677)	Inhibition of ovine COX-1 by enzyme immuno assay
50034664	2	ChEMBL_806718 (CHEMBL1958678)	Inhibition of human recombinant COX-2 by enzyme immuno assay
50034665	1	ChEMBL_806753 (CHEMBL1958796)	Inhibition of histidine-tagged human recombinant cytoplasmic domain of EGFR expressed in baculovirus infected insect Sf9 cells after 1 hr by DELFIA/time-resolved fluorometric analysis
50034665	2	ChEMBL_806754 (CHEMBL1958797)	Inhibition of histidine-tagged human recombinant cytoplasmic domain of HER2 expressed in baculovirus infected insect Sf9 cells after 1 hr by DELFIA/time-resolved fluorometric analysis
50034666	1	ChEMBL_806941 (CHEMBL1959242)	Inhibition of human voltage-gated sodium channel 1.5 expressed in HEK293 cells assessed as changes in membranre potential after 45 mins by FRET analysis
50034666	2	ChEMBL_806942 (CHEMBL1959243)	Inhibition of human voltage-gated sodium channel 1.7 expressed in HEK293 cells assessed as changes in membranre potential after 45 mins by FRET analysis
50034667	1	ChEMBL_807171 (CHEMBL1959835)	Inhibition of PDE10A
50034668	1	ChEMBL_807172 (CHEMBL1959836)	Antagonist activity at CXCR4
50034669	1	ChEMBL_807309 (CHEMBL1960402)	Antagonist activity at vasoactive intestinal peptide receptor 1 in rat RKE cells assessed as inhibition of VIP-induced intracellular cAMP accumulation incubated for 10 mins prior to VIP-stimulation measured after 30 mins by HTRF assay
50034670	1	ChEMBL_807313 (CHEMBL1960493)	Displacement of (-)-[3H]vesamicol from rat VAchT transfected in rat PC12 cells after 2 hrs by scintillation counting
50034670	2	ChEMBL_807314 (CHEMBL1960494)	Binding affinity to VAchT
50034670	3	ChEMBL_807314 (CHEMBL1960494)	Binding affinity to VAchT
50034671	1	ChEMBL_807326 (CHEMBL1960506)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	2	ChEMBL_807331 (CHEMBL1960511)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	3	ChEMBL_807327 (CHEMBL1960507)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	4	ChEMBL_807338 (CHEMBL1960518)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	5	ChEMBL_807320 (CHEMBL1960500)	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	6	ChEMBL_807339 (CHEMBL1960519)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	7	ChEMBL_807332 (CHEMBL1960512)	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	8	ChEMBL_807323 (CHEMBL1960503)	Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	9	ChEMBL_807335 (CHEMBL1960515)	Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	10	ChEMBL_807317 (CHEMBL1960497)	Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	11	ChEMBL_807329 (CHEMBL1960509)	Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	12	ChEMBL_807318 (CHEMBL1960498)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	13	ChEMBL_807330 (CHEMBL1960510)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	14	ChEMBL_807316 (CHEMBL1960496)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	15	ChEMBL_807328 (CHEMBL1960508)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	16	ChEMBL_807325 (CHEMBL1960505)	Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	17	ChEMBL_807337 (CHEMBL1960517)	Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	18	ChEMBL_807322 (CHEMBL1960502)	Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	19	ChEMBL_807334 (CHEMBL1960514)	Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	20	ChEMBL_807324 (CHEMBL1960504)	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	21	ChEMBL_807336 (CHEMBL1960516)	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	22	ChEMBL_807321 (CHEMBL1960501)	Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034671	23	ChEMBL_807333 (CHEMBL1960513)	Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method
50034671	24	ChEMBL_807319 (CHEMBL1960499)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method
50034672	1	ChEMBL_807512 (CHEMBL1958728)	Inhibition of CYP1A2
50034672	2	ChEMBL_807518 (CHEMBL1958734)	Agonist activity at human GPR119 expressed in HEK293 cells co-transfected with pCRE-Luc assessed as induction in cAMP level after 6 hrs by luciferase reporter gene assay
50034673	1	ChEMBL_807735 (CHEMBL1959863)	Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay
50034673	2	ChEMBL_807736 (CHEMBL1959864)	Inhibition of recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assay
50034673	3	ChEMBL_807737 (CHEMBL1959865)	Inhibition of recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assay
50034673	4	ChEMBL_807740 (CHEMBL1959868)	Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assay
50034674	1	ChEMBL_807742 (CHEMBL1959870)	Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50034674	2	ChEMBL_807743 (CHEMBL1959871)	Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50034674	3	ChEMBL_807744 (CHEMBL1959872)	Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50034674	4	ChEMBL_807745 (CHEMBL1959873)	Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay
50034674	5	ChEMBL_807746 (CHEMBL1959874)	Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
50034675	1	ChEMBL_807915 (CHEMBL1959298)	Inhibition of EGFR
50034675	2	ChEMBL_807914 (CHEMBL1959297)	Inhibition of VEGFR1
50034675	3	ChEMBL_807913 (CHEMBL1959296)	Inhibition of VEGFR2
50034675	4	ChEMBL_807912 (CHEMBL1959295)	Inhibition of PDGFRbeta
50034675	5	ChEMBL_807903 (CHEMBL1959286)	Inhibition of EGF-induced EGFR autophosphorylation in human A431 cells incubated for 60 mins prior to EGF-induction measured after 10 mins by phosphotyrosine ELISA
50034675	6	ChEMBL_807902 (CHEMBL1959285)	Inhibition of VEGF-induced VEGFR1 autophosphorylation in human A498 cells incubated for 60 mins prior to VEGF-induction measured after 10 mins by phosphotyrosine ELISA
50034675	7	ChEMBL_807901 (CHEMBL1959284)	Inhibition of VEGF-induced VEGFR2 autophosphorylation in human U251 cells incubated for 60 mins prior to VEGF-induction measured after 10 mins by phosphotyrosine ELISA
50034675	8	ChEMBL_807900 (CHEMBL1959283)	Inhibition of PDGFBB-induced PDGFRbeta autophosphorylation in human SF539 cells incubated for 60 mins prior to PDGFBB-induction measured after 10 mins by phosphotyrosine ELISA
50034676	1	ChEMBL_808108 (CHEMBL1961259)	Inhibition of bovine alpha-chymotrypsin
50034677	1	ChEMBL_808110 (CHEMBL1961261)	Inhibition of human carbonic anhydrase 1 after 6 hrs by stop-flow CO2 hydration assay
50034677	2	ChEMBL_808111 (CHEMBL1961262)	Inhibition of human carbonic anhydrase 2 after 6 hrs by stop-flow CO2 hydration assay
50034677	3	ChEMBL_808112 (CHEMBL1961263)	Inhibition of human carbonic anhydrase 9 after 6 hrs by stop-flow CO2 hydration assay
50034677	4	ChEMBL_808113 (CHEMBL1961264)	Inhibition of human carbonic anhydrase 12 after 6 hrs by stop-flow CO2 hydration assay
50034678	4	ChEMBL_808122 (CHEMBL1961273)	Inhibition of human recombinant AKT1 expressed in Sf9 cells using GSK3(14-27) as substrate after 80 mins by scintillation counting
50034678	5	ChEMBL_808123 (CHEMBL1961274)	Inhibition of human recombinant ARK5 expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting
50034678	6	ChEMBL_808124 (CHEMBL1961275)	Inhibition of human recombinant aurora-A expressed in Sf9 cells using tetra(LRRWSLG) as substrate after 80 mins by scintillation counting
50034678	8	ChEMBL_808126 (CHEMBL1961277)	Inhibition of human recombinant B-RAF expressed in Sf9 cells using MEK1 KM as substrate after 80 mins by scintillation counting
50034678	10	ChEMBL_808129 (CHEMBL1961280)	Inhibition of human recombinant EGF-R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	11	ChEMBL_808130 (CHEMBL1961281)	Inhibition of human recombinant EPHB4 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	12	ChEMBL_808131 (CHEMBL1961282)	Inhibition of human recombinant ERBB2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	13	ChEMBL_808132 (CHEMBL1961283)	Inhibition of human recombinant FAK expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	14	ChEMBL_808133 (CHEMBL1961284)	Inhibition of human recombinant IGF1R expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	15	ChEMBL_808134 (CHEMBL1960851)	Inhibition of human recombinant SRC expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	16	ChEMBL_808259 (CHEMBL1961229)	Inhibition of human recombinant VEGF-R2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	17	ChEMBL_808260 (CHEMBL1961230)	Inhibition of human recombinant VEGF-R3 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	19	ChEMBL_808262 (CHEMBL1961232)	Inhibition of human recombinant MET expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting
50034678	20	ChEMBL_808263 (CHEMBL1961233)	Inhibition of human recombinant PDGFRbeta expressed in Sf9 cells using poly(A,E,K,Y)6:2:5:1 as substrate after 80 mins by scintillation counting
50034678	21	ChEMBL_808264 (CHEMBL1961234)	Inhibition of human recombinant PLK1 expressed in Sf9 cells using casein as substrate after 80 mins by scintillation counting
50034678	22	ChEMBL_808265 (CHEMBL1961235)	Inhibition of human recombinant SAK expressed in Sf9 cells using p38alpha-KRKR as substrate after 80 mins by scintillation counting
50034678	23	ChEMBL_808266 (CHEMBL1961236)	Inhibition of human recombinant TIE2 expressed in Sf9 cells using poly(E,Y)4:1 as substrate after 80 mins by scintillation counting
50034678	24	ChEMBL_808267 (CHEMBL1961237)	Inhibition of human recombinant COT expressed in Sf9 cells assessed as autophosphorylation after 80 mins by scintillation counting
50049134	1	ChEMBL_1654441 (CHEMBL4003807)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level pretreated for 15 mins followed by agonist addition for 30 mins and subsequent forskolin stimulation measured after 30 mins
50034679	3	ChEMBL_808301 (CHEMBL1961318)	Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells after 18 hrs
50034680	1	ChEMBL_808311 (CHEMBL1961328)	Inhibition of PDE4B expressed in HEK293 cells assessed as fold reduction in forskolin-stimulated cAMP production pretreated for 30 mins measured 4 hrs after forskolin challenge by luciferase reporter gene assay
50034681	1	ChEMBL_808314 (CHEMBL1961331)	Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counting
50034681	2	ChEMBL_808315 (CHEMBL1961332)	Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
50034681	3	ChEMBL_808316 (CHEMBL1961333)	Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting
50034681	4	ChEMBL_808317 (CHEMBL1960893)	Agonist activity at rat EP2 receptor
50034681	5	ChEMBL_808318 (CHEMBL1960894)	Agonist activity at rat EP4 receptor
50034681	6	ChEMBL_808313 (CHEMBL1961330)	Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation counting
50034682	1	ChEMBL_805626 (CHEMBL1960460)	Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay
50034683	1	ChEMBL_805630 (CHEMBL1960464)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of PLC-induced [3H]inositol phosphate production after 30 mins by scintillation counting
50034684	1	ChEMBL_805634 (CHEMBL1960468)	Inhibition of ovine COX1 by fluorescence assay
50034684	2	ChEMBL_805635 (CHEMBL1960469)	Inhibition of human recombinant COX2 by fluorescence assay
50034684	3	ChEMBL_805636 (CHEMBL1960470)	Binding affinity to COX2 by surface plasmon resonance spectroscopy
50034684	4	ChEMBL_805640 (CHEMBL1960474)	Inhibition of COX2 by ELISA
50034685	1	ChEMBL_805646 (CHEMBL1960480)	Inhibition of MMP12 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034685	3	ChEMBL_805641 (CHEMBL1960475)	Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50049134	2	ChEMBL_1654437 (CHEMBL4003803)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 90 mins
50034685	5	ChEMBL_805643 (CHEMBL1960477)	Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034685	6	ChEMBL_805644 (CHEMBL1960478)	Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034685	7	ChEMBL_805645 (CHEMBL1960479)	Inhibition of MMP8 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 30 mins by spectrofluorimetry
50034686	1	ChEMBL_805648 (CHEMBL1960482)	Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed in HEK293 cells after 3 hrs
50034686	2	ChEMBL_805650 (CHEMBL1960484)	Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inhibition of dihydrotestosterone-induced luciferase activity after 24 hrs by reporter gene assay
50034686	3	ChEMBL_805652 (CHEMBL1960486)	Agonist activity at androgen receptor expressed in Cos7 cells after 24 hrs by luciferase reporter gene assay
50034687	1	ChEMBL_806029 (CHEMBL1960546)	Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
50034687	2	ChEMBL_806030 (CHEMBL1960547)	Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
50034687	3	ChEMBL_806055 (CHEMBL1960572)	Agonist activity at human S1P4 receptor
50034687	4	ChEMBL_806056 (CHEMBL1960573)	Agonist activity at human S1P5 receptor
50034687	5	ChEMBL_806027 (CHEMBL1960544)	Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
50034688	1	ChEMBL_806271 (CHEMBL1958917)	Inhibition of IKK-beta using TMB substrate after 15 mins by spectrophotometer analysis
50034689	1	ChEMBL_808914 (CHEMBL1961798)	Increased REV-ERB-alpha LBD dependent repressor activity in HEK293 cell reporter assay
50034689	2	ChEMBL_808915 (CHEMBL1961799)	Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay
50034689	3	ChEMBL_808916 (CHEMBL1961800)	REV-ERB-alpha mediated transcriptional suppression at Bmal1 promoter in HEK293 cell reporter assay
50034689	4	ChEMBL_808917 (CHEMBL1961801)	Dissociation constant for binding to REV-ERB-alpha by circular dichroism
50034690	1	ChEBML_197998	Inhibitory activity against serine/threonine protein phosphatase 1(PP1)
50034691	2	ChEBML_58674	In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate using [3H]-SCH- 23390 as radioligand
50034691	3	ChEBML_139077	In vitro binding affinity towards M1 receptor of rat frontal cortex homogenate by using radioligand [3H]QNB
50034691	4	ChEBML_62769	In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand
50034691	5	ChEBML_60365	In vitro binding affinity towards Dopamine receptor D2 in human using [3H]-spiperone as radioligand
50034691	6	ChEBML_2670	In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand
50034691	8	ChEBML_84716	In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine
50034691	9	ChEBML_2306	In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in human using [3H]ketanserin as radioligand
50049134	3	ChEMBL_1654444 (CHEMBL4003810)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes measured after 90 mins
50034693	1	ChEMBL_96945 (CHEMBL706185)	Compound was tested for inhibitory activity against Leukotriene A4 hydrolase from human leukocytes
50034693	2	ChEBML_96937	Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes
50049134	4	ChEMBL_1654445 (CHEMBL4003811)	Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes measured after 90 mins
50049134	5	ChEMBL_1654446 (CHEMBL4003812)	Displacement of [3H]-HEMADO from human adenosine A3 receptor expressed in HEK293 cell membranes measured after 90 mins
50034695	1	ChEBML_79803	Compound was evaluated for its inhibitory activity against HIV-1 protease
50049134	6	ChEMBL_1654447 (CHEMBL4003813)	Antagonist activity at human adenosine A1 receptor expressed in HEK293 cell membranes assessed as decrease in CPA/forskolin-induced cAMP level pretreated for 15 mins followed by agonist addition for 15 mins and subsequent forskolin stimulation measured after 30 mins
50049134	7	ChEMBL_1654448 (CHEMBL4003814)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cell membranes assessed as decrease in NECA/forskolin-induced cAMP level pretreated for 15 mins followed by agonist addition for 15 mins and subsequent forskolin stimulation measured after 30 mins
50034696	3	ChEBML_37573	Inhibitory activity against sweet almond Beta-glucosidase
50034696	4	ChEBML_37127	Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase
50034696	5	ChEMBL_37573 (CHEMBL647654)	Inhibitory activity against sweet almond Beta-glucosidase
50034697	1	ChEBML_90117	Compound was evaluated for binding affinity towards Inositol-1,4,5-trisphosphate 5-phosphatase
50034697	4	ChEBML_90252	Compound was evaluated for its effective dose to inhibit the calcium release as a measure of affinity for Ins(1,4,5)P3 receptor
50034698	5	ChEMBL_58544 (CHEMBL667480)	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine agonist [3H]N-propylnorapomorphine as ligand; Value ranges from (80-119)
50034698	8	ChEBML_58539	Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]spiperone as ligand; Value ranges from (270-500)
50049135	1	ChEMBL_1654589 (CHEMBL4003955)	Inhibition of Escherichia coli K-12 MBP-fused C-terminal His-tagged MurA (6508 to 7768 residues) using UNAG as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of PEP by malachite green dye based spectrophotometric method
50049136	1	ChEMBL_1654648 (CHEMBL4004014)	Inhibition of COX1 (unknown origin)
50049136	2	ChEMBL_1654649 (CHEMBL4004015)	Inhibition of COX2 (unknown origin)
50049137	1	ChEMBL_1654660 (CHEMBL4004026)	Inhibition of human ERG
50049137	2	ChEMBL_1654664 (CHEMBL4004030)	Inhibition of NET (unknown origin) expressed in HEK293 cells assessed as reduction in norepinephrine reuptake
50049137	3	ChEMBL_1654661 (CHEMBL4004027)	Inhibition of human Nav1.5 by electrophysiology method
50049137	4	ChEMBL_1654658 (CHEMBL4004024)	Activity at human beta1 adrenergic receptor
50049137	5	ChEMBL_1654656 (CHEMBL4004022)	Agonist activity at human beta3 adrenergic receptor
50049137	6	ChEMBL_1654662 (CHEMBL4004028)	Inhibition of SERT (unknown origin)
50034701	1	ChEMBL_197436 (CHEMBL878543)	Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT)
50049137	7	ChEMBL_1654659 (CHEMBL4004025)	Activity at human beta2 adrenergic receptor
50034706	1	ChEBML_70657	Apparent dissociation constants for inactivation of Gamma-amino-N-butyrate transaminase
50034707	3	ChEBML_64956	Dissociation constant against EPSP synthase
50034708	1	ChEBML_156521	Inhibitory concentration against Escherichia coli Pyrophosphate Synthetase (PRPP)
50034709	1	ChEBML_90248	Tested for the ability to inhibit Ins(1,4,5)P 3-phosphatase
50049138	1	ChEMBL_1654734 (CHEMBL4004100)	Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose addition in presence of sodium buffer measured after 1 hr by resazurin dye based fluorescence assay
50049138	2	ChEMBL_1654733 (CHEMBL4004099)	Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose addition in presence of sodium buffer measured after 1 hr by resazurin dye based fluorescence assay
50034713	1	ChEMBL_201273 (CHEMBL804962)	Binding affinity against the sigma receptor from guinea pig brain using the radioligand [3H]SKF-10047
50034713	2	ChEMBL_201274 (CHEMBL804963)	Binding affinity against the sigma receptor of guinea pig brain by using [3H]SKF-10047 radioligand
50034713	3	ChEMBL_58684 (CHEMBL672494)	Binding affinity against the Dopamine receptor D2 in rat striatnrn by using [3H]spiperone radioligand
50034713	4	ChEMBL_58685 (CHEMBL672495)	Binding affinity against the Dopamine receptor D2 in rat striatum by using [3H]spiperone radioligand
50034714	2	ChEMBL_155143 (CHEMBL760184)	In vitro inhibition of [3H]-C18 PAF binding to human platelet membrane Platelet activating factor receptor was determined
50034714	3	ChEMBL_155140 (CHEMBL759830)	Compound was evaluated for inhibition of binding of [3H]-C18 PAF to human platelet membrane Platelet activating factor receptor
50049139	1	ChEMBL_1654768 (CHEMBL4004134)	Inhibition of PTP1B (unknown origin) using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50049140	1	ChEBML_1654816	Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex
50049140	2	ChEBML_1654816	Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex
50049140	3	ChEBML_1654816	Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex
50049140	4	ChEMBL_1654816 (CHEMBL4004182)	Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex
50049141	1	ChEMBL_1654821 (CHEMBL4004187)	Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate assessed as decrease in NADPH oxidation preincubated for 10 mins followed by substrate addition measured for 4 mins by spectrophotometer
50034717	5	ChEMBL_162194 (CHEMBL766713)	Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylase
50049142	1	ChEMBL_1654845 (CHEMBL4004211)	Inhibition of recombinant human N-terminal GST-tagged DDR1 cytoplasmic domain (444 to 876 residues) expressed in baculovirus expression system
50049142	2	ChEMBL_1654846 (CHEMBL4004212)	Inhibition of recombinant human N-terminal GST-tagged IGF1R cytoplasmic domain (959 to 1367 residues) expressed in baculovirus expression system
50049142	3	ChEMBL_1654847 (CHEMBL4004213)	Inhibition of recombinant human N-terminal GST-tagged INSR cytoplasmic domain (1005 to 1310 residues) expressed in baculovirus expression system
50049142	4	ChEMBL_1654849 (CHEMBL4004215)	Inhibition of recombinant human N-terminal GST-tagged EPHA2 cytoplasmic domain (572 to 976 residues) expressed in baculovirus expression system
50049142	5	ChEMBL_1654850 (CHEMBL4004216)	Inhibition of recombinant human N-terminal GST-tagged FAK cytoplasmic domain (376 to 1052 residues) expressed in baculovirus expression system
50049142	6	ChEMBL_1654851 (CHEMBL4004217)	Inhibition of recombinant full length human N-terminal GST-tagged YES (1 to 543 residues) expressed in baculovirus expression system
50049142	7	ChEMBL_1654853 (CHEMBL4004219)	Inhibition of FYN (unknown origin)
50049142	8	ChEMBL_1654854 (CHEMBL4004220)	Inhibition of LYN (unknown origin)
50049142	9	ChEMBL_1654856 (CHEMBL4004222)	Inhibition of recombinant full length human N-terminal GST-tagged BRK (2 to 451 residues) expressed in baculovirus expression system
50049142	10	ChEMBL_1654857 (CHEMBL4004223)	Inhibition of recombinant full length human N-terminal GST-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system
50049142	11	ChEMBL_1654858 (CHEMBL4004224)	Inhibition of recombinant human N-terminal GST-tagged RAF1 catalytic domain (306 to 648 residues) expressed in baculovirus expression system
50049142	12	ChEMBL_1654861 (CHEMBL4004227)	Inhibition of recombinant human N-terminal GST-tagged AKT1 catalytic domain (104 to 480 residues) expressed in baculovirus expression system
50049142	13	ChEMBL_1654863 (CHEMBL4004229)	Inhibition of CDK2 (unknown origin)
50049142	14	ChEMBL_1654864 (CHEMBL4004230)	Inhibition of recombinant full length human N-terminal GST-tagged PKCzeta (1 to 592 residues) expressed in baculovirus expression system
50034719	1	ChEBML_90118	The compound was evaluated for inhibition of Inositol-1,4,5-trisphosphate 5-phosphatase
50049142	15	ChEMBL_1654865 (CHEMBL4004231)	Inhibition of recombinant full length human N-terminal GST-tagged PKCalpha (1 to 351 residues) expressed in baculovirus expression system
50049142	16	ChEMBL_1654867 (CHEMBL4004233)	Inhibition of recombinant full length human N-terminal GST-tagged PKCbeta2 (1 to 673 residues) expressed in baculovirus expression system
50049142	17	ChEMBL_1654868 (CHEMBL4004234)	Inhibition of recombinant full length human N-terminal GST-tagged Aurora kinase-A (1 to 403 residues) expressed in baculovirus expression system
50049142	18	ChEMBL_1654869 (CHEMBL4004235)	Inhibition of recombinant human N-terminal GST-tagged p38-alpha (9 to 352 residues) expressed in Escherichia coli expression system
50049142	19	ChEMBL_1654823 (CHEMBL4004189)	Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay
50034720	2	ChEBML_208663	Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand
50049142	20	ChEMBL_1654824 (CHEMBL4004190)	Binding affinity to recombinant human biotinylated N-terminal GST-tagged non-autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay
50034720	3	ChEMBL_208662 (CHEMBL813322)	The binding affinity towards NK1 receptor in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand
50049142	21	ChEMBL_1654836 (CHEMBL4004202)	Inhibition of recombinant human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system
50049142	22	ChEMBL_1654837 (CHEMBL4004203)	Inhibition of recombinant human N-terminal GST-tagged KIT cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system
50049142	23	ChEMBL_1654839 (CHEMBL4004205)	Inhibition of recombinant human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system
50034721	1	ChEBML_141731	The compound was evaluated for the inhibition of NADH dehydrogenase
50034722	1	ChEBML_155000	Antagonistic activity for inhibition of [3H]PAF receptor binding to washed human platelet membranes.
50049142	24	ChEMBL_1654840 (CHEMBL4004206)	Inhibition of recombinant human N-terminal GST-tagged FGFR2 cytoplasmic domain (399 to 821 residues) expressed in baculovirus expression system
50049142	25	ChEMBL_1654842 (CHEMBL4004208)	Inhibition of recombinant human N-terminal GST-tagged AXL cytoplasmic domain (464 to 885 residues) expressed in baculovirus expression system
50034723	2	ChEBML_220930	Compound was evaluated for the binding affinity to kappa opioid receptor
50034723	3	ChEBML_226539	Compound was evaluated for the binding affinity to sigma opioid receptor
50034723	4	ChEBML_222066	Compound was evaluated for the binding affinity to mu opioid receptor
50049142	26	ChEMBL_1654843 (CHEMBL4004209)	Inhibition of recombinant human N-terminal GST-tagged RON cytoplasmic domain (979 to 1400 residues) expressed in baculovirus expression system
50049142	27	ChEMBL_1654844 (CHEMBL4004210)	Inhibition of recombinant human N-terminal GST-tagged MET cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system
50049142	28	ChEMBL_1654841 (CHEMBL4004207)	Inhibition of recombinant human N-terminal GST-tagged KDR cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system
50049142	29	ChEMBL_1654852 (CHEMBL4004218)	Inhibition of recombinant full length human N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system
50049142	30	ChEMBL_1654855 (CHEMBL4004221)	Inhibition of recombinant full length human N-terminal GST-tagged LCK (1 to 509 residues) expressed in baculovirus expression system
50049142	31	ChEMBL_1654859 (CHEMBL4004225)	Inhibition of MEK1 (unknown origin)
50049142	32	ChEMBL_1654862 (CHEMBL4004228)	Inhibition of CDK1 (unknown origin)
50049142	33	ChEMBL_1654866 (CHEMBL4004232)	Inhibition of recombinant full length human N-terminal GST-tagged PKCbeta1 (1 to 671 residues) expressed in baculovirus expression system
50049142	34	ChEMBL_1654848 (CHEMBL4004214)	Inhibition of recombinant human N-terminal GST-tagged LTK cytoplasmic domain (498 to 796 residues) expressed in baculovirus expression system
50049143	1	ChEMBL_1654903 (CHEMBL4004269)	Inhibition of recombinant perforin (unknown origin) assessed as decrease in lysis of 51Cr-labelled human Jurkat cells by measuring 51Cr release preincubated for 30 mins followed by cell line addition measured after 4 hrs in presence of 0.1% BSA by gamma counting method
50049144	1	ChEMBL_1654962 (CHEMBL4004328)	Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by thallium flux assay
50049144	2	ChEMBL_1654945 (CHEMBL4004311)	Inhibition of human ROMK expressed in HEK293 cells after 30 mins by thallium flux assay
50049144	3	ChEMBL_1654946 (CHEMBL4004312)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50049144	4	ChEMBL_1654954 (CHEMBL4004320)	Inhibition of human ROMK expressed in CHO cells by electrophysiology method
50049144	5	ChEMBL_1654955 (CHEMBL4004321)	Inhibition of human ERG by electrophysiology method
50049145	1	ChEMBL_1655009 (CHEMBL4004375)	Inhibition of porcine cholesterol esterase using para-nitrophenyl butyrate as substrate after 5 mins in presence of sodium taurocholate by spectrophotometric method
50049146	1	ChEMBL_1655125 (CHEMBL4004491)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence assay
50049146	2	ChEMBL_1655126 (CHEMBL4004492)	Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence assay
50034729	1	ChEBML_64343	Inhibition of putative Endothelin-converting enzyme partially purified from rabbit lung membranes
50034729	2	ChEBML_35986	Compound was tested for inhibitory activity against Angiotensin I converting enzyme
50049147	1	ChEBML_1655133	Inhibition of Kv1.5 (unknown origin)
50049147	7	ChEMBL_1655133 (CHEMBL4004499)	Inhibition of Kv1.5 (unknown origin)
50049147	6	ChEMBL_1655134 (CHEMBL4004500)	Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method
50049147	3	ChEMBL_1655138 (CHEMBL4004504)	Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in rapidly activating delayed rectifier cardiac potassium current by whole-cell voltage-patch clamp assay
50049147	8	ChEMBL_1655139 (CHEMBL4004505)	Displacement of [3H]-MK499 from human ERG IKr channel expressed in HEK293 cell membranes
50034732	1	ChEBML_202290	Tested for the squalene synthetase inhibitory activity in rat liver microsomal assay
50034734	2	ChEBML_4178	Tested for its inhibitory activity against 5-lipoxygenase
50034734	3	ChEBML_156338	Tested for its inhibitory activity against Phospholipase A2 (PLA2)
50049147	4	ChEMBL_1655140 (CHEMBL4004506)	Inhibition of Kv4.3 (unknown origin) assessed as reduction in transient outward potassium current by high throughput clamp method
50034735	1	ChEBML_33967	Tested for inhibitory activity against alpha-L-fucosidase from bovine epididymus (sigma)
50034735	2	ChEBML_34091	Tested for inhibitory activity against alpha-L-fucosidase from solubilised human neutrophils
50034736	1	ChEBML_202106	In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme
50034736	2	ChEBML_201960	In vitro inhibitory activity of compound was measured against Candida squalene synthase(SQS) enzyme
50034737	1	ChEBML_155875	Tested for inhibitory activity of compound against Phospholipase A2 (PLA2)
50034738	1	ChEBML_140322	Binding affinity for glycine site-NMDA receptor was determined by the ability to displace [3H]glycine in rat cortical membranes
50034742	1	ChEBML_211171	Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tubulin concentration
50034743	1	ChEBML_212013	Tested for 50 % inhibition of tubulin polymerization by turbidimetric assay
50049147	5	ChEMBL_1655135 (CHEMBL4004501)	Inhibition of human KCNQ1/KCNE1 expressed in HEK293 cells assessed as reduction in slowly activating delayed rectifier cardiac potassium current by patch clamp electrophysiology method
50049148	1	ChEMBL_1655176 (CHEMBL4004542)	Inhibition of PKCdelta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50034746	1	ChEBML_197376	Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolase
50034747	2	ChEBML_158151	Compound was tested for its ability to inhibit bovine seminal vesicle prostaglandin synthetase
50034747	3	ChEBML_156506	Inhibitory activity against polymorphonuclear cell phospholipase-A2 in rat
50049148	2	ChEMBL_1655177 (CHEMBL4004543)	Inhibition of PKCepsilon (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50049148	3	ChEMBL_1655173 (CHEMBL4004539)	Inhibition of PKCeta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50034748	1	ChEBML_157566	Evaluated for inhibitory activity against HIV-1 protease
50034748	2	ChEBML_45171	Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D
50034748	3	ChEBML_153973	Compound was evaluated for aspartyl protease inhibition selectivity relative to pepsin
50034748	6	ChEBML_196257	Compound was evaluated for aspartyl protease inhibition selectivity relative to renin
50034748	7	ChEBML_160728	Tested for the inhibition of HIV-2 protease
50034748	4	ChEBML_45335	Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin E
50034749	1	ChEBML_47976	Displacement of [3H](N-methyl-N-leucine)-CCK-8 to Cholecystokinin type B receptor of guinea pig brain cortex
50034749	2	ChEBML_50204	Displacement of [125I](BH)-CCK-8 to Cholecystokinin type A receptor in rat pancreatic acini
50034749	3	ChEMBL_47975 (CHEMBL657478)	The compound was tested for its activity to inhibit the specific binding of [3H](N-methyl-N-leucine)-CCK-8 to Cholecystokinin type B receptor
50034750	2	ChEBML_48416	The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in mouse cortex.
50034750	3	ChEBML_47653	The compound was evaluated for the inhibition of binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas.
50034751	1	ChEBML_48258	Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B receptor of mouse cerebral cortex
50034751	2	ChEBML_50062	Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A receptor of rat pancreas
50034752	1	ChEBML_35422	The compound was evaluated for the inhibition of binding of [125I]-CGP 42112A to AT2 receptor
50034753	1	ChEBML_161424	Tested for inhibition of purified catalytic subunit of protein phosphatase-2A from human erythrocytes
50034753	2	ChEBML_161423	Tested for inhibition against purified catalytic subunit of protein phosphatase-1 from rabbit skeletal muscle
50049148	4	ChEMBL_1655178 (CHEMBL4004544)	Inhibition of PKCtheta (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50049148	5	ChEMBL_1655174 (CHEMBL4004540)	Inhibition of PKCalpha (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50034755	4	ChEMBL_62806 (CHEMBL674119)	Ability to displace [3H]mazindol from dopamine transporter
50049148	6	ChEMBL_1655175 (CHEMBL4004541)	Inhibition of PKCbeta1 (unknown origin) after 60 mins in presence of [gamma33P]ATP by scintillation proximity assay
50034757	2	ChEBML_58182	Compound was evaluated for binding affinity to Dopamine receptor D1 labeled with [3H]-SCH- 23390 (0.3 nM) in rat striatal membranes
50034758	1	ChEBML_155136	In vitro inhibition of [3H]PAF receptor binding to washed human platelet membranes
50034760	1	ChEBML_90104	Compound was evaluated for its ability to displace [3H]Ins(1,4,5)P3 from membranes prepared from bovine adrenal corticles
50034761	2	ChEMBL_216397 (CHEMBL823108)	Inhibition of neu (erb-B2) HER2 kinase
50034762	1	ChEBML_37413	Inhibition constant of compound was tested against Beta-galactosyltransferase from bovine milk
50049148	7	ChEMBL_1655188 (CHEMBL4004554)	Reversible competitive inhibition of PKCbeta1 (unknown origin)
50049148	8	ChEMBL_1655190 (CHEMBL4004556)	Inhibition of CDK2 (unknown origin)
50049148	9	ChEMBL_1655191 (CHEMBL4004557)	Inhibition of PKCtheta in human Jurkat T cells assessed as reduction in anti-CD3/CD28 antibody-induced T-cell activation by measuring decrease in IL-2 secretion after 5 hrs by luciferase reporter gene assay
50049148	10	ChEMBL_1655194 (CHEMBL4004560)	Inhibition of PKCbeta in mouse B cells assessed as reduction in IgM-stimulated cell proliferation
50034765	1	ChEMBL_123929 (CHEMBL729463)	In vitro inhibitory activity against monoamine oxidase B (MAO-B) in rat brain homogenate.
50034765	2	ChEMBL_122946 (CHEMBL733231)	In vitro inhibitory against monoamine oxidase A (MAO-A) in rat brain homogenate.
50034766	1	ChEMBL_64216 (CHEMBL675453)	Inhibition of Endothelin-converting enzyme (ECE) from microsomal fractions of bovine cultured endothelial cells
50034766	2	ChEMBL_144610 (CHEMBL751029)	Inhibitory activity against neutral endopeptidase (NEP)prepared from microsomal fractions of rat small intestine
50034767	2	ChEMBL_36775 (CHEMBL650297)	Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex
50049148	11	ChEMBL_1655187 (CHEMBL4004553)	Reversible competitive inhibition of PKCalpha (unknown origin)
50049149	1	ChEMBL_1655197 (CHEMBL4004563)	Inhibition of HDAC1 (unknown origin)
50049149	2	ChEMBL_1655196 (CHEMBL4004562)	Inhibition of HDAC6 (unknown origin)
50049150	1	ChEMBL_1655298 (CHEMBL4004664)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 15 mins
50049150	2	ChEMBL_1655300 (CHEMBL4004666)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 5 to 15 mins
50049150	3	ChEMBL_1655301 (CHEMBL4004667)	Inhibition of CYP2C19 in human liver microsomes using S-Mephentoin as substrate after 5 to 15 mins
50049150	4	ChEMBL_1655303 (CHEMBL4004669)	Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins
50049150	5	ChEMBL_1655304 (CHEMBL4004670)	Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins
50049150	6	ChEMBL_1655302 (CHEMBL4004668)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins
50049150	7	ChEMBL_1655299 (CHEMBL4004665)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 15 mins
50034768	2	ChEMBL_35565 (CHEMBL647513)	In vitro binding affinity of compound was measured against angiotensin II (AT2) receptor
50034768	3	ChEMBL_35436 (CHEMBL643796)	Displacement of [125 I]Sar1Ile8-AII from AT2 receptor of rat midbrain membrane
50049151	1	ChEMBL_1655312 (CHEMBL4004678)	Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate addition in presence of [3H-Me]SAM by scintillation proximity assay
50034768	4	ChEMBL_35420 (CHEMBL643594)	In vitro binding affinity of compound was measured against Angiotensin II receptor, type 2
50049151	2	ChEMBL_1655314 (CHEMBL4004680)	Inhibition of DOT1L in human HeLa cells assessed as reduction in H3K79me2 level after 72 hrs by ELISA
50049151	3	ChEMBL_1655317 (CHEMBL4004683)	Competitive inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate addition in presence of [3H-Me]SAM by scintillation proximity assay
50034769	1	ChEMBL_35336 (CHEMBL645443)	Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method.
50034769	2	ChEMBL_35489 (CHEMBL646399)	Inhibition of Aminopeptidase M.
50034769	3	ChEMBL_35335 (CHEMBL645442)	Concentration required for inhibitory potency against Aminopeptidase B in murine L-cells by aoyagi method using L-lysine-2-naphthylamide hydrochloride as substrate (0.5mM, Km=0.9*10e-4 M)
50034769	4	ChEMBL_35488 (CHEMBL884019)	Concentration required for inhibitory potency on Aminopeptidase M using L-leucine-2-naphthylamide hydrochloride as substrate(0.5 mM, Km=0.6*10e-4 M)
50034770	1	ChEBML_142874	Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
50049151	4	ChEMBL_1655315 (CHEMBL4004681)	Inhibition of DOT1L in human MOLM13 cells assessed as suppression of HoxA9 gene after 72 hrs by luciferase reporter gene assay
50034770	5	ChEMBL_142874 (CHEMBL750225)	Tested for binding affinity for human NK3 receptor expressed in CHO cells by using [125I][MePhe]-NKB as radioligand,
50034771	1	ChEBML_144599	In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate
50034771	2	ChEBML_34792	In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate
50049152	1	ChEMBL_1655326 (CHEMBL4004692)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	19	ChEBML_1655354	Inhibition of recombinant human CYP2C19 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	3	ChEBML_1655334	Agonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of -90 mV by whole-cell voltage clamp electrophysiology method
50049152	4	ChEBML_1655331	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of -90 mV by whole-cell voltage clamp electrophysiology method
50049152	12	ChEBML_1655339	Antagonist activity at human 5-HT3A receptor expressed in HEK293 cells
50049152	18	ChEBML_1655353	Inhibition of recombinant human CYP2C9 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	23	ChEBML_1655338	Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	28	ChEBML_1655352	Inhibition of recombinant human CYP2C8 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	30	ChEBML_1655355	Inhibition of recombinant human CYP2D6 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	20	ChEBML_1655337	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	32	ChEMBL_1655331 (CHEMBL4004697)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of -90 mV by whole-cell voltage clamp electrophysiology method
50049152	33	ChEMBL_1655348 (CHEMBL4004714)	Inhibition of recombinant human CYP3A4 using fluorogenic substrate BFC preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	35	ChEMBL_1655349 (CHEMBL4004715)	Inhibition of recombinant human CYP3A4 using fluorogenic substrate BZR preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	40	ChEMBL_1655356 (CHEMBL4004722)	Inhibition of human ERG potassium channel by patch clamp assay
50049152	36	ChEMBL_1655336 (CHEMBL4004702)	Agonist activity at rat alpha1beta1delta1epsilon nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	16	ChEMBL_1655355 (CHEMBL4004721)	Inhibition of recombinant human CYP2D6 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50034773	1	ChEBML_142510	Binding affinity at glycine co-agonist site of rat NMDA receptor
50049152	41	ChEMBL_1655353 (CHEMBL4004719)	Inhibition of recombinant human CYP2C9 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	38	ChEMBL_1655351 (CHEMBL4004717)	Inhibition of recombinant human CYP2B6 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	42	ChEMBL_1655354 (CHEMBL4004720)	Inhibition of recombinant human CYP2C19 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	43	ChEMBL_1655339 (CHEMBL4004705)	Antagonist activity at human 5-HT3A receptor expressed in HEK293 cells
50049152	39	ChEMBL_1655350 (CHEMBL4004716)	Inhibition of recombinant human CYP1A2 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	44	ChEMBL_1655334 (CHEMBL4004700)	Agonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of -90 mV by whole-cell voltage clamp electrophysiology method
50049152	5	ChEMBL_1655337 (CHEMBL4004703)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	8	ChEMBL_1655338 (CHEMBL4004704)	Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay
50049152	14	ChEMBL_1655352 (CHEMBL4004718)	Inhibition of recombinant human CYP2C8 using fluorogenic substrate preincubated for 30 mins and measured after 20 to 60 mins in presence of NADPH regenerating system by fluorescence assay
50049152	37	ChEMBL_1655328 (CHEMBL4004694)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting method
50049152	34	ChEMBL_1655327 (CHEMBL4004693)	Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma counting method
50034774	3	ChEBML_43	Inhibitory activity against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)
50034775	1	ChEBML_52	Compound was tested for the inhibition of 17-beta-hydroxysteroid dehydrogenase type 1(17-beta-HSD type 1)
50034776	1	ChEBML_62470	Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes
50034777	1	ChEMBL_221150 (CHEMBL841142)	In vitro inhibition of [3H]FPP incorporation into recombinant P21ras of NIH3T3 cells by farnesyl transferase
50034778	1	ChEMBL_64948 (CHEMBL675693)	Inhibition of Escherichia coli EPSP synthase
50034778	2	ChEMBL_65091 (CHEMBL673148)	Inhibition of Escherichia coli EPSP synthase
50034778	3	ChEMBL_64959 (CHEMBL675702)	Inhibition of Escherichia coli EPSP synthase
50049153	1	ChEMBL_1655422 (CHEMBL4004892)	Inhibition of ovine COX1 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50049153	2	ChEMBL_1655423 (CHEMBL4004893)	Inhibition of recombinant human COX2 using arachidonic acid as substrate assessed as decrease in PGF2 production preincubated for 15 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50049154	1	ChEMBL_1655445 (CHEMBL4004915)	Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ellman's method
50049154	2	ChEMBL_1655447 (CHEMBL4004917)	Inhibition of Ache (unknown origin)
50049154	3	ChEMBL_1655448 (CHEMBL4004918)	Inhibition of BuChE (unknown origin)
50049154	4	ChEMBL_1655449 (CHEMBL4004919)	Inhibition of human AchE-induced amyloid beta (1 to 40) aggregation after 48 hrs by thioflavin T fluorescence spectroscopic method
50049154	5	ChEMBL_1655441 (CHEMBL4004911)	Inhibition of bovine erythrocyte AchE using acetylthiocholine as substrate by Ellman's method
50049155	1	ChEMBL_1655461 (CHEMBL4004931)	Inhibition of human recombinant GST-tagged JAK3 cytoplasmic domain (781 to 1124 residues) expressed in baculovirus expression system incubated for 1 hr by FRET-based Z'-Lyte assay
50049156	1	ChEMBL_1655488 (CHEMBL4004958)	Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A
50049156	2	ChEMBL_1655487 (CHEMBL4004957)	Inhibition of recombinant human CDK1/Cyclin B expressed in baculovirus infected Sf9 cells using PKTPKKAKKL-NH2 as substrate
50034780	1	ChEBML_144600	In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane
50034780	2	ChEBML_35590	In vitro inhibition against angiotensin converting enzyme (ACE)
50034780	3	ChEMBL_144624 (CHEMBL752983)	In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane
50034781	2	ChEBML_144632	In vitro inhibitory concentration against neutral endopeptidase
50049156	3	ChEMBL_1655490 (CHEMBL4004960)	Inhibition of recombinant human full-length C-terminal His6-tagged Cdk7/recombinant human full-length Cyclin H expressed in baculovirus infected Sf21 insect cells
50049156	4	ChEMBL_1655478 (CHEMBL4004948)	Inhibition of CDK2 (unknown origin)
50049156	5	ChEMBL_1655482 (CHEMBL4004952)	Inhibition of human CDK5 (unknown origin)
50049156	6	ChEMBL_1655491 (CHEMBL4004961)	Inhibition of recombinant human full-length C-terminal His6-tagged Cdk9/human full-length Cyclin T expressed in baculovirus infected Sf21 insect cells
50049157	1	ChEMBL_1655521 (CHEMBL4004991)	Inhibition of human HDAC1 using H3(1-21)K9 after 60 mins by fluorescence assay
50049158	1	ChEMBL_1655761 (CHEMBL4005231)	Displacement of propidium iodide from electric eel AChE by spectrofluorometric method
50049158	2	ChEMBL_1655757 (CHEMBL4005227)	Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins by Ellman's method
50049159	1	ChEMBL_1655794 (CHEMBL4005264)	Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method
50049159	2	ChEMBL_1655792 (CHEMBL4005262)	Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method
50049159	3	ChEMBL_1655797 (CHEMBL4005267)	Agonist activity at IP receptor in human primary platelets assessed as inhibition of ADP-induced platelet aggregation
50049159	4	ChEMBL_1655795 (CHEMBL4005265)	Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method
50034786	1	ChEBML_205718	Compound was tested for its affinity towards human Tachykinin receptor 1 in [3H]-substance P(SP) binding assay on human IM9 lymphoblast cultured cell line
50034787	2	ChEBML_138891	Affinity to mu opioid receptor determined in the presence of [3H]- PL 017 using membranes prepared from rat cerebrum
50049159	5	ChEMBL_1655823 (CHEMBL4005293)	Inhibition of CYP1A2 (unknown origin)
50049159	6	ChEMBL_1655810 (CHEMBL4005280)	Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation counting method
50034788	3	ChEMBL_1539 (CHEMBL616362)	Tested for binding affinity for 5-hydroxytryptamine 1A receptor
50034788	4	ChEMBL_3175 (CHEMBL617703)	Tested for inhibition of binding of [3H]GR-65630 to rat cortical membranes, expressed as IC50
50034788	6	ChEMBL_58626 (CHEMBL663738)	Tested for binding affinity for Dopamine D2 receptors
50049159	7	ChEMBL_1655811 (CHEMBL4005281)	Displacement of [3H]-PGD2 from recombinant human DP1 receptor
50034788	7	ChEMBL_58625 (CHEMBL663737)	Tested for binding affinity for Dopamine D2 receptor
50049159	8	ChEMBL_1655812 (CHEMBL4005282)	Displacement of [3H]-PGE2 from recombinant human EP1 receptor expressed in HEK293 cell membranes incubated for 1 hr
50049159	9	ChEMBL_1655813 (CHEMBL4005283)	Displacement of [3H]-PGE2 from recombinant human EP2 receptor expressed in HEK293 cell membranes incubated for 1 hr
50049159	10	ChEMBL_1655814 (CHEMBL4005284)	Displacement of [3H]-PGE2 from recombinant human EP3v6 receptor expressed in HEK293 cell membranes incubated for 1 hr by top count scintillation counting method
50049159	11	ChEMBL_1655815 (CHEMBL4005285)	Displacement of [3H]-PGE2 from recombinant human EP4 receptor expressed in rat chem-1 cell membranes incubated for 1 hr
50034790	1	ChEMBL_28135 (CHEMBL644919)	Tested for in vitro inhibition of acetylcholinesterase
50034791	1	ChEMBL_144306 (CHEMBL754351)	Tested for binding affinity against Neurotensin receptor
50034792	1	ChEMBL_33833 (CHEMBL646862)	Tested for inhibitory constant against yeast alpha-glucosidase
50049159	12	ChEMBL_1655816 (CHEMBL4005286)	Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation counting method
50034794	2	ChEBML_209542	Binding affinity towards Tachykinin receptor 3 using [125I]-[Mephe7] NKB as radioligand
50034795	1	ChEBML_196883	Inhibitory constant against rat liver S-adenosyl-L-homocysteine hydrolase
50034796	1	ChEBML_65805	Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle membranes.
50034796	2	ChEBML_63681	Functional inhibition of ET-1 induced [Ca2+] increase in human Girardi heart (hGH) cells, which express Endothelin B receptor
50034796	3	ChEBML_63879	Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin B receptor in porcine cerebellum membranes
50034796	4	ChEBML_65480	Functional inhibition of ET-1 induced [Ca2+] increase in human neuroblastoma-derived SK-N-MC cells, which express Endothelin A receptor
50034797	2	ChEBML_43857	Compound was tested for its inhibitory activity against calpain 2
50034797	3	ChEMBL_43856 (CHEMBL658517)	Compound was tested for its inhibitory activity against Calpain 2
50034797	4	ChEBML_47605	Compound was tested for its inhibitory activity against cathepsin B
50034798	2	ChEBML_68033	Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2
50034798	4	ChEMBL_68033 (CHEMBL681039)	Inhibitory activity against beta-Lactamase enzyme derived from Escherichia coli WC3310 TEM-2
50049159	13	ChEMBL_1655824 (CHEMBL4005294)	Inhibition of CYP2D6 (unknown origin)
50049159	14	ChEMBL_1655825 (CHEMBL4005295)	Inhibition of CYP3A4 (unknown origin)
50049159	15	ChEMBL_1655826 (CHEMBL4005296)	Inhibition of CYP2C8 (unknown origin)
50049159	16	ChEMBL_1655827 (CHEMBL4005297)	Inhibition of CYP2C9 (unknown origin)
50049159	17	ChEMBL_1655828 (CHEMBL4005298)	Inhibition of CYP2C19 (unknown origin)
50049159	18	ChEMBL_1655829 (CHEMBL4005299)	Inhibition of human ERG by patch clamp assay
50049160	1	ChEMBL_1657153 (CHEMBL4006623)	Inhibition of chymotrypsin-like activity of human LCL-derived 20S proteasome using Suc-LLVY-AMC as substrate preincubated with enzyme followed by substrate addition measured after 30 mins by fluorescence assay
50049160	2	ChEMBL_1657152 (CHEMBL4006622)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay
50034799	1	ChEBML_210870	In vitro inhibitory activity against recombinant CD45 protein tyrosine phosphatase
50034800	1	ChEMBL_142891 (CHEMBL747302)	Compound was tested for binding affinity towards NK1 binding sites in human lymphoma IM9 cells using [125I]Bolton-Hunter as radioligand
50034800	2	ChEBML_209544	Binding affinity towards human Tachykinin receptor 3 stably expressed in CHO cells using [125I][MePhe7]-NKB as radioligand
50034800	3	ChEBML_142892	Compound was tested for binding affinity towards NK1 binding sites in human lymphoma IM9 cells using [125I]Bolton-Hunter substrate P as radioligand
50034800	7	ChEMBL_142890 (CHEMBL747301)	Compound was tested for binding affinity against human NK1 receptor
50049161	1	ChEMBL_1657163 (CHEMBL4006633)	Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay
50034801	1	ChEBML_159714	Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus
50049161	2	ChEMBL_1657164 (CHEMBL4006634)	Inhibition of ROCK2 (unknown origin)
50049162	1	ChEMBL_1657187 (CHEMBL4006657)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50049162	2	ChEMBL_1657186 (CHEMBL4006656)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50034804	1	ChEMBL_65797 (CHEMBL677978)	Antagonist activity against ET-A from porcine heart membranes
50034804	2	ChEMBL_65804 (CHEMBL679707)	Inhibition of endothelin (ET-A) binding to porcine heart membranes 
50034804	3	ChEBML_65803	Inhibition of endothelin (ET-A) binding to porcine heart membranes 
50034805	1	ChEBML_160959	Inhibition of human Protein kinase C epsilon
50034805	2	ChEBML_161464	Inhibition of Protein kinase C zeta
50034805	3	ChEMBL_160958 (CHEMBL769120)	Inhibition of Protein kinase C epsilon
50034805	8	ChEBML_160772	Inhibition of human Protein kinase C delta
50034805	10	ChEMBL_161274 (CHEMBL772955)	Inhibition of human Protein kinase C gamma
50034805	12	ChEBML_161274	Inhibition of human Protein kinase C gamma
50049162	3	ChEMBL_1657189 (CHEMBL4006659)	Mixed-type inhibition of electric eel AChE preincubated for 5 mins followed by varying levels acetylthiocholine iodide substrate addition by Lineweaver-Burk plot analysis
50049163	1	ChEMBL_1657194 (CHEMBL4006664)	Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay
50034806	3	ChEBML_216280	Compound was tested for inhibitory activity (mixed) against alpha-L-fucosidase from bovine kidney
50034808	3	ChEMBL_202300 (CHEMBL812553)	Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assay
50034808	4	ChEMBL_62548 (CHEMBL674061)	Compound was evaluated for its binding affinity to Dopamine receptor D2 in rat brain using [3H]- spiroperidol radioligand assay
50034808	5	ChEMBL_218255 (CHEMBL819222)	Compound was evaluated for its binding affinity to beta-1 receptor in rat brain using [3H]- DHA radioligand assay
50034808	8	ChEMBL_218264 (CHEMBL819429)	Compound was evaluated for its binding affinity to beta-2 receptor in rat brain using [3H]- DHA radioligand assay
50034808	9	ChEMBL_58655 (CHEMBL670429)	Compound was evaluated for its binding affinity to Dopamine receptor D1 in rat striatum using [3H]- SCH-23390 radioligand assay
50034809	1	ChEBML_80143	Inhibitory activity against HIV-1 reverse transcriptase
50034810	1	ChEBML_42592	Binding affinity to protein phosphatase, calcineurin (CN) was determined
50034810	2	ChEBML_66415	Binding affinity to FK506 binding protein 12 was determined
50034811	1	ChEBML_40060	Binding affinity towards CCK-A receptor in rat pancreas membrane using Hunter labelled CCK-8S assay
50034811	6	ChEBML_40210	Binding affinity towards CCK-B receptor in mouse cerebral cortex membrane using [125I]bolton assay
50034812	2	ChEMBL_96940 (CHEMBL706181)	Inhibitory activity against recombinant human Leukotriene A4 hydrolase
50049164	1	ChEMBL_1657267 (CHEMBL4006737)	Competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis
50049164	2	ChEMBL_1657277 (CHEMBL4006747)	Reversible competitive inhibition of Brugia malayi T6PP using T6P as substrate by Lineweaver-Burk plot analysis
50049165	1	ChEMBL_1657315 (CHEMBL4006785)	Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [3H]-IPP as substrate preincubated for 10 mins before substrate addition measured after 8 mins by liquid scintillation counting
50049166	1	ChEMBL_1657318 (CHEMBL4006788)	Inhibition of full length recombinant human GST fused His6-tagged HDAC3 expressed in baculovirus infected High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate measured after 24 hrs
50034814	1	ChEBML_37554	Inhibition against beta-glucosidase in sweet almond
50034814	2	ChEBML_41368	Inhibition against Beta-mannosidase in snail
50034816	1	ChEMBL_63512 (CHEMBL677262)	Affinity against ET A receptor
50034816	2	ChEBML_64186	Affinity against ET B receptor
50034816	3	ChEBML_63503	Affinity against ET A receptor
50034817	1	ChEBML_40427	Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2
50034818	1	ChEBML_40106	Binding affinity against human IMR90 fetal lung fibroblast bradykinin B2 receptor was evaluated
50034819	1	ChEBML_40431	Tested for binding affinity against human IMR-90 Bradykinin receptor B2
50049166	2	ChEMBL_1657317 (CHEMBL4006787)	Inhibition of full length recombinant human GST fused His6-tagged HDAC1 expressed in baculovirus infected High5 cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate measured after 24 hrs
50049166	3	ChEMBL_1657319 (CHEMBL4006789)	Inhibition of full length recombinant human GST fused His6-tagged HDAC6 expressed in baculovirus infected High5 cells using Boc-Lys(epsilon-acetyl)-AMC as substrate measured after 3 hrs
50034821	2	ChEBML_51583	Inhibition of calf thymus DNA/ethidium bromide complex formation.
50049167	1	ChEMBL_1657484 (CHEMBL4006954)	Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition in presence of NADPH
50034822	1	ChEBML_140833	Compound was tested for inhibitory activity against myo-inositol-1-phosphatase; weak inhibitor
50034822	2	ChEMBL_140833 (CHEMBL872843)	Compound was tested for inhibitory activity against myo-inositol-1-phosphatase; weak inhibitor
50049168	1	ChEMBL_1657491 (CHEMBL4006961)	Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system preincubated for 20 mins followed by tracer addition measured after 60 mins by TR-FRET based Lanthascreen assay
50049169	1	ChEMBL_1657492 (CHEMBL4006962)	Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by DCIP oxidation based CoQ10 enzyme coupled assay
50049170	1	ChEMBL_1657589 (CHEMBL4007059)	Inhibition of wild type recombinant EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50034825	2	ChEMBL_48927 (CHEMBL660757)	Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay
50049171	1	ChEMBL_1657624 (CHEMBL4007094)	Antagonist activity at human Gal4-fused DBD RORalpha LBD (Pro-211-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay
50049171	2	ChEMBL_1657623 (CHEMBL4007093)	Antagonist activity at mouse Gal4-fused DBD RORgamma LBD (Pro-261-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay
50049171	3	ChEMBL_1657625 (CHEMBL4007095)	Antagonist activity at rat Gal4-fused DBD RORbeta LBD (Pro-205-end) expressed in TRex-CHOK1 cells after 20 hrs by luciferase reporter gene assay
50049172	1	ChEMBL_1657628 (CHEMBL4007098)	Inhibition of 17-beta-HSD3 (unknown origin) expressed in human LNCaP cells using [14C]-4-androstene-3,17-dione as substrate assessed as reduction of [14C]-testosterone level after 1 hr by TLC method
50049173	1	ChEMBL_1657638 (CHEMBL4007108)	Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay
50034829	1	ChEBML_63195	Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells
50034829	2	ChEBML_64047	Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum
50049173	2	ChEMBL_1657639 (CHEMBL4007109)	Inhibition of EED in human G401 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA method
50049173	3	ChEMBL_1657640 (CHEMBL4007110)	Inhibition of EED in human OCILY19 cells assessed as reduction in H3K27 trymethylation measured after 6 days by alphaLISA method
50034831	1	ChEBML_144282	Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administration
50034831	2	ChEMBL_144282 (CHEMBL754784)	Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administration
50049174	1	ChEMBL_1657647 (CHEMBL4007117)	Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K
50034835	1	ChEMBL_144478 (CHEMBL857700)	Compound was tested for inhibitory activity against neutral endopeptidase (NEP)
50034835	2	ChEBML_144618	compound was tested for inhibitory activity against neutral endopeptidase (NEP)
50034835	4	ChEMBL_64339 (CHEMBL675915)	Compound was tested for inhibitory activity against Endothelin-converting enzyme isolated from guinea pig lung membrane.
50034836	1	ChEBML_210708	Compound was evaluated for inhibition of tyrosinase enzyme.
50049175	1	ChEMBL_1657660 (CHEMBL4007130)	Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049175	2	ChEMBL_1657658 (CHEMBL4007128)	Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049175	3	ChEMBL_1657655 (CHEMBL4007125)	Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049175	4	ChEMBL_1657657 (CHEMBL4007127)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50034838	1	ChEMBL_68755 (CHEMBL681832)	Tested for inhibition of Escherichia coli gamma-glutamylcysteine synthetase at a concentration of 5.7 uM
50034838	2	ChEMBL_68752 (CHEMBL681830)	Tested for inhibition of Escherichia coli gamma-glutamylcysteine synthetase at a concentration of 16.3 uM
50034838	3	ChEMBL_68754 (CHEMBL681831)	Tested for inhibition of Escherichia coli gamma-glutamylcysteine synthetase at a concentration of 5.1 uM
50034838	4	ChEBML_68754	Tested for inhibition of Escherichia coli gamma-glutamylcysteine synthetase at a concentration of 5.1 uM
50034840	1	ChEBML_144631	In vitro inhibition of Neutral Endopeptidase
50034842	1	ChEBML_64340	In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig lungs
50034842	2	ChEBML_144641	Compound was measured for the inhibition of neutral endopeptidase 24.11(NEP).
50034842	3	ChEBML_36013	Compound was measured for the inhibition of Angiotensin I converting enzyme
50049176	1	ChEMBL_1657723 (CHEMBL4007193)	Inhibition of EGF-induced EGFR phosphorylation in human A431 cells preincubated for 60 mins followed by EGF induction measured after 10 mins by ELISA
50034846	1	ChEMBL_164151 (CHEMBL770785)	Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from rabbit reticulocyte lysate
50034846	2	ChEMBL_164142 (CHEMBL771466)	Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from mouse L cell extract
50034847	1	ChEBML_200652	Inhibition of influenza sialidase was determined by measuring the ability to inhibit the hydrolysis of MUN by B Victoria virus grown in hen eggs
50034847	2	ChEBML_200638	Inhibition of influenza sialidase was determined by measuring the ability to inhibit the hydrolysis of MUN by A/Aichi virus grown in hen eggs
50049176	2	ChEMBL_1657724 (CHEMBL4007194)	Inhibition of PDGF-BB-induced PDGFR-beta phosphorylation in human SF-539 cells preincubated for 60 mins followed by PDGF-BB induction measured after 10 mins by ELISA
50034849	1	ChEBML_47860	Ability to compete for binding to Class II MHC using ELISA assay.
50034849	2	ChEMBL_54694 (CHEMBL669549)	Compound was tested for its ability to compete for binding to DR4 using ELISA assay.
50034849	3	ChEBML_47861	Compound was tested for its ability to compete for binding to DR4 using ELISA assay.
50049176	3	ChEMBL_1657731 (CHEMBL4007201)	Inhibition of human DHFR using dihydrofolate as substrate by spectrophotometric method
50034851	2	ChEMBL_105296 (CHEMBL713612)	Compound was evaluated for its inhibitory activity against MevPP decarboxylase
50034851	1	ChEBML_105296	Compound was evaluated for its inhibitory activity against MevPP decarboxylase
50034851	3	ChEMBL_105298 (CHEMBL714140)	Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase
50034853	1	ChEMBL_63860 (CHEMBL672904)	Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated
50034853	2	ChEBML_63860	Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated
50034853	3	ChEBML_65818	Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated
50049176	4	ChEMBL_1657726 (CHEMBL4007196)	Inhibition of human thymidylate synthase using dUMP/(6R,S)-tetrahydrofolate as substrate/co-factor by spectrophotometric method
50049176	5	ChEMBL_1657722 (CHEMBL4007192)	Inhibition of VEGF-induced VEGFR2 phosphorylation in human U251 cells preincubated for 60 mins followed by VEGF induction measured after 10 mins by ELISA
50034856	1	ChEBML_157564	Inhibition of HIV-1 protease.
50034857	2	ChEBML_71531	Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin releasing peptide) receptors stably expressed in CHO cells
50034857	3	ChEBML_143209	Binding affinity against NMB receptor in rat olfactory bulb was determined using [125I]-[Tyr4] bombesin.
50049177	1	ChEMBL_1657750 (CHEMBL4007220)	Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50049177	2	ChEMBL_1657746 (CHEMBL4007216)	Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50034858	1	ChEBML_91720	Compound was evaluated for its binding affinity against kynureninase isolated from Pseudomonas fluorescence
50034859	1	ChEBML_199692	Ability to inhibit sialyl Lewis X binding to Selectin E was determined
50049177	3	ChEMBL_1657748 (CHEMBL4007218)	Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50034860	1	ChEMBL_64947 (CHEMBL675692)	Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.
50034860	2	ChEMBL_64955 (CHEMBL675698)	Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.
50049177	4	ChEMBL_1657747 (CHEMBL4007217)	Inhibition of human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50049177	5	ChEMBL_1657751 (CHEMBL4007221)	Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50034862	1	ChEBML_200650	Inhibition of influenza B sialidase (neuraminidase)
50034862	2	ChEBML_200636	Inhibition of influenza A sialidase (neuraminidase)
50049177	6	ChEMBL_1657749 (CHEMBL4007219)	Inhibition of human HDAC8 using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by trypsin-based fluorescence assay
50034863	1	ChEBML_48593	Tested for displacement of [125I]-CCK-8 from Gastrin/Cholecystokinin type B receptor in rat brain.
50049178	1	ChEMBL_1657815 (CHEMBL4007285)	Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by microbeta liquid scintillation counting method
50049178	2	ChEMBL_1657816 (CHEMBL4007286)	Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by microbeta liquid scintillation counting method
50034868	1	ChEBML_201726	Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand
50034869	1	ChEBML_159569	Compound was evaluated for inhibition of Prostaglandin G/H synthase 1
50034871	1	ChEBML_139666	Compound was evaluated for displacement of [3H]-QNB from human Muscarinic m2 receptor in CHO cells.
50034871	2	ChEBML_139536	Compound was evaluated for displacement of [3H]QNB from human Muscarinic m1 receptor in CHO cells.
50049178	3	ChEMBL_1657814 (CHEMBL4007284)	Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by microbeta liquid scintillation counting method
50034874	2	ChEBML_37416	Compound was tested for inhibitory activity against beta-glucocerebrosidase.
50034875	1	ChEBML_161425	Compound was tested for inhibitory concentration of Protein Phosphatase 2A (PP2A).
50034877	2	ChEBML_144922	Tested for binding affinity against [125I]BH-SP binding to neurokinin-1 (NK-1) receptor in human IM-9 cells
50034877	3	ChEMBL_209547 (CHEMBL811279)	Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
50034877	4	ChEBML_209547	Concentration producing half-maximal inhibition of specific binding of [3H]senktide to Tachykinin receptor 3 in the guinea pig cerebral cortex
50034878	1	ChEMBL_210664 (CHEMBL812715)	Tested for selectivity against trypsin
50034878	2	ChEMBL_208538 (CHEMBL813632)	Tested for the binding affinity against thrombin
50034878	3	ChEMBL_48824 (CHEMBL661797)	Tested for selectivity against Coagulation factor X
50034879	1	ChEBML_155257	Tested for the Inhibition of the catalytic activity of human plasmin at 25 degree C and pH 7.5.
50034879	3	ChEBML_208536	Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degree C and pH 7.5.
50034880	1	ChEBML_199689	Compound was measured for the inhibitory activity against Secretory phospholipase A 2 (s-PLA2)
50034880	2	ChEMBL_199690 (CHEMBL802919)	Compound was measured for the inhibitory activity against secretory-phospholipase A2 (s-PLA2)
50034881	1	ChEMBL_199686 (CHEMBL802915)	Compound was tested for the Inhibition of human Secretory phospholipase A 2 acyl hydrolysis using a membrane assay; Inactive
50034881	2	ChEBML_199687	Compound was tested for the Inhibition of human Secretory phospholipase A 2 acyl hydrolysis using a membrane assay; inactive
50034881	3	ChEMBL_199687 (CHEMBL802916)	Compound was tested for the Inhibition of human Secretory phospholipase A 2 acyl hydrolysis using a membrane assay; inactive
50034881	4	ChEMBL_199688 (CHEMBL802917)	Compound was tested for the Inhibition of human Secretory phospholipase A 2 acyl hydrolysis using a membrane assay; inactive
50034883	1	ChEBML_143340	Inhibition against neuronal nitric oxide synthase (nNOS) from bovine brain was determined
50034884	1	ChEBML_48926	Compound was measured for its inhibitory activity against cholesteryl ester transfer protein (CETP)
50034885	1	ChEBML_208316	Binding affinity was evaluated against human thrombin
50034885	2	ChEBML_212727	Binding affinity against human trypsin
50034885	3	ChEMBL_208316 (CHEMBL872724)	Binding affinity was evaluated against human thrombin
50034885	4	ChEBML_155599	Binding affinity against serine protease plasmin
50034885	5	ChEBML_208074	Binding affinity against serine protease Tissue type plasminogen activator
50034885	6	ChEBML_49473	Binding affinity against serine protease plasma chymotrypsin
50034885	7	ChEBML_92382	Binding affinity against serine protease plasma kallikrein
50034885	8	ChEBML_27863	Binding affinity against serine protease Activated protein C
50010336	43	ChEBML_1970470	Inhibition of recombinant full length human His-tagged AKT3 expressed in baculovirus expression system using Ser/Thr-06 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	44	ChEBML_1970469	Inhibition of recombinant GST-tagged human ALK4 (150 to 505 residues) expressed in baculovirus expression system using Ser/Thr-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	45	ChEBML_1970468	Inhibition of recombinant full length GST/His-tagged human AMPK alpha1/beta1/gamma1 expressed in insect cells using Ser/Thr-23 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	46	ChEBML_1970467	Inhibition of recombinant full length GST/His-tagged human AMPK alpha2/beta1/gamma1 expressed in baculovirus expression system using Ser/Thr-23 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	47	ChEBML_1970466	Inhibition of recombinant full length His-tagged human AURKB expressed in baculovirus expression system using Ser/Thr-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	48	ChEBML_1970465	Inhibition of recombinant full length GST-tagged human AURKC expressed in baculovirus expression system using Ser/Thr-19 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	49	ChEBML_1970464	Inhibition of recombinant full length human GST-tagged AXL expressed in insect expression system using tyrosine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	50	ChEBML_1970463	Inhibition of recombinant full length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	51	ChEBML_1970462	Inhibition of recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	259	ChEBML_1970814	Inhibition of recombinant full length human GST-tagged MSSK1 expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	53	ChEBML_1970460	Inhibition of full length N-terminal GST-tagged human BRAF V599E mutant (416 to 766 residues) expressed in baculovirus expression system using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50034889	1	ChEBML_88176	Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells
50034889	2	ChEBML_209548	Concentration required for binding affinity to Tachykinin receptor 3 in chinese hamster ovary cells
50034889	3	ChEBML_40197	Concentration required for binding affinity to neuropeptide (CCK-B) receptor in mouse cerebral cortex
50034889	4	ChEBML_144920	Concentration required for binding affinity to neurokinin (NK1) receptor in human IM9 cells
50034889	6	ChEBML_40046	Concentration required for binding affinity to neuropeptide (CCK-A) receptor in rat pancrea
50034892	3	ChEBML_212342	In vitro ability to inhibit the activity of Trypsin
50034893	2	ChEBML_63703	Receptor binding affinity was determined against [125I]ET1 with membranes prepared from human placenta for ETB receptor
50034894	1	ChEBML_200791	Inhibitory activity against influenza B virus sialidase
50034894	2	ChEBML_200790	Inhibitory activity against influenza A virus sialidase
50034895	1	ChEBML_71843	Inhibition towards glutamate racemase was determined and expressed as KI
50049179	1	ChEMBL_1657830 (CHEMBL4007300)	Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50034896	1	ChEBML_197414	Binding affinity towards Retinoic acid receptor alpha
50034896	2	ChEBML_195497	Binding affinity towards Retinoic acid receptor beta
50034896	3	ChEBML_196013	Binding affinity towards Retinoic acid receptor gamma
50049179	2	ChEMBL_1657831 (CHEMBL4007301)	ATP competitive inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) using varying ATP levels after 30 mins by ADP-Glo luminescence assay
50034897	1	ChEBML_72305	Compound was tested for the inhibition of Escherichia coli glutamyl-t-RNA synthetase
50049179	3	ChEMBL_1657832 (CHEMBL4007302)	Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) using 1.5 ug/ml single stranded poly(U) RNA after 45 mins by ADP-Glo luminescence assay
50034897	2	ChEBML_210904	Compound was tested for the inhibition of aminoacyl tRNA Synthetase
50049179	4	ChEMBL_1657834 (CHEMBL4007304)	Binding affinity to full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetric method
50049179	5	ChEMBL_1657835 (CHEMBL4007305)	Binding affinity to full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) administered for 60 to 120 secs by surface plasmon resonance biosensing assay
50049179	6	ChEMBL_1657826 (CHEMBL4007296)	Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50049179	7	ChEMBL_1657827 (CHEMBL4007297)	Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using 60 ug/ml single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50049179	8	ChEMBL_1657828 (CHEMBL4007298)	Inhibition of eIF4G-induced eIF4A2 (unknown origin) RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50049179	9	ChEMBL_1657829 (CHEMBL4007299)	Inhibition of full length recombinant human N-terminal FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50034900	4	ChEMBL_145825 (CHEMBL753685)	Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]U-69593 as radioligand
50034900	5	ChEBML_138895	Compound was evaluated for the binding affinity towards mu opioid receptor in rat brain homogenates using [3H]DAMGO as radioligand
50034900	6	ChEBML_145824	Compound was evaluated for the binding affinity towards Opioid receptor kappa 1 in rat brain homogenates using [3H]CI977 as radioligand
50049180	1	ChEMBL_1657924 (CHEMBL4007536)	Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by Ellman's method
50049180	2	ChEMBL_1657930 (CHEMBL4007542)	Irreversible inhibition of equine serum BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate preincubated up to 45 mins followed by substrate addition measured after 5 mins
50049180	3	ChEMBL_1657931 (CHEMBL4007543)	Irreversible inhibition of human plasma BuChE assessed as second order carbamylation rate constant using S-butyrylthiocholine iodide as substrate preincubated up to 45 mins followed by substrate addition measured after 5 mins
50049180	4	ChEMBL_1657927 (CHEMBL4007539)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by Ellman's method
50049180	5	ChEMBL_1657926 (CHEMBL4007538)	Inhibition of human erythrocytes AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by Ellman's method
50034902	3	ChEMBL_41459 (CHEMBL651507)	Tested for the its ability to compete with [125I]-CO13 [125I]-Y-F-K-A-Cha-G-L-dF-R) for binding to C5a anaphylatoxin chemotactic receptor of human neutrophil membrane preparations
50034903	1	ChEBML_38792	Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells
50034904	1	ChEBML_201641	Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-HT reuptake system using [3H]5-HT as radioligand
50034904	2	ChEBML_142964	Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using [3H]norepinephrine as radioligand
50034904	3	ChEBML_61990	Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligand
50034905	1	ChEBML_72907	Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)
50034906	1	ChEBML_102100	Inhibition of matrix metalloprotease-3
50034907	1	ChEBML_211861	Compound was tested for inhibitory activity against tubulin polymerization
50049180	6	ChEMBL_1657928 (CHEMBL4007540)	Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by Ellman's method
50034907	2	ChEMBL_211859 (CHEMBL819243)	Compound was evaluated for its anti tubulin activity
50049180	7	ChEMBL_1657975 (CHEMBL4007587)	Inhibition of human blood BuChE using butyrylthiocholine as substrate
50049180	8	ChEMBL_1657974 (CHEMBL4007586)	Inhibition of human blood AChE using acetylthiocholine as substrate
50049181	1	ChEMBL_1657983 (CHEMBL4007595)	Inhibition of alpha-hexosaminidase in human PBMC using 4-methylumbelliferyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside as substrate at pH 4.3 after 17 hrs by fluorescence assay
50049181	2	ChEMBL_1657985 (CHEMBL4007597)	Inhibition of alpha-hexosaminidase (unknown origin)
50049181	3	ChEMBL_1657979 (CHEMBL4007591)	Inhibition of beta-galactosidase in human PBMC using 4-methylumbelliferyl beta-D-galactopyranoside as substrate at pH 4.3 after 2 hrs by fluorescence assay
50049181	4	ChEMBL_1657978 (CHEMBL4007590)	Inhibition of beta-galactosidase in human PBMC using 4-methylumbelliferyl beta-D-galactopyranoside as substrate at pH 7.3 after 2 hrs by fluorescence assay
50049182	42	ChEBML_1658109	Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay
50049182	33	ChEBML_1658036	Inhibition of Syk in human Ramos B cells assessed as decrease in intracellular calcium flux measured for 3.5 mins by calcium-5 dye based FLIPR assay
50049182	13	ChEBML_1658086	Inhibition of CLK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	41	ChEBML_1658108	Inhibition of Lck (unknown origin) after 60 mins by TR-FRET assay
50049182	78	ChEBML_1658094	Inhibition of FGFR1 (unknown origin) after 60 mins by TR-FRET assay
50049182	24	ChEBML_1658117	Inhibition of NEK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	65	ChEBML_1658132	Inhibition of RSK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	15	ChEBML_1658087	Inhibition of c-MET (unknown origin) after 60 mins by TR-FRET assay
50049182	86	ChEMBL_1658088 (CHEMBL4007700)	Inhibition of CSF1R (unknown origin) after 60 mins by TR-FRET assay
50049182	140	ChEMBL_1658095 (CHEMBL4007707)	Inhibition of Flt1(unknown origin) after 60 mins by TR-FRET assay
50049182	149	ChEMBL_1658087 (CHEMBL4007699)	Inhibition of c-MET (unknown origin) after 60 mins by TR-FRET assay
50049182	128	ChEMBL_1658140 (CHEMBL4007752)	Inhibition of TRKA (unknown origin) after 60 mins by TR-FRET assay
50049182	99	ChEMBL_1658116 (CHEMBL4007728)	Inhibition of MST1 (unknown origin) after 60 mins by TR-FRET assay
50049182	130	ChEMBL_1658065 (CHEMBL4007677)	Inhibition of human ERG
50049182	120	ChEMBL_1658100 (CHEMBL4007712)	Inhibition of IGF1R (unknown origin) after 60 mins by TR-FRET assay
50049182	81	ChEMBL_1658125 (CHEMBL4007737)	Inhibition of PKCtheta (unknown origin) after 60 mins by TR-FRET assay
50049182	90	ChEMBL_1658085 (CHEMBL4007697)	Inhibition of CK1alpha1 (unknown origin) after 60 mins by TR-FRET assay
50049182	129	ChEMBL_1658141 (CHEMBL4007753)	Inhibition of TrkB (unknown origin) after 60 mins by TR-FRET assay
50049182	96	ChEMBL_1658119 (CHEMBL4007731)	Inhibition of PAK4 kinase domain (unknown origin) after 60 mins by TR-FRET assay
50049182	150	ChEMBL_1658036 (CHEMBL4007648)	Inhibition of Syk in human Ramos B cells assessed as decrease in intracellular calcium flux measured for 3.5 mins by calcium-5 dye based FLIPR assay
50049182	113	ChEMBL_1658071 (CHEMBL4007683)	Inhibition of ALK (unknown origin) after 60 mins by TR-FRET assay
50049182	151	ChEMBL_1658108 (CHEMBL4007720)	Inhibition of Lck (unknown origin) after 60 mins by TR-FRET assay
50049182	101	ChEMBL_1658077 (CHEMBL4007689)	Inhibition of human CAMK1D (unknown origin) after 60 mins by TR-FRET assay
50049182	152	ChEMBL_1658086 (CHEMBL4007698)	Inhibition of CLK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	107	ChEMBL_1658113 (CHEMBL4007725)	Inhibition of MAP4K4 (unknown origin) after 60 mins by TR-FRET assay
50049182	153	ChEMBL_1658117 (CHEMBL4007729)	Inhibition of NEK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	103	ChEMBL_1658078 (CHEMBL4007690)	Inhibition of human CAMK2A (unknown origin) after 60 mins by TR-FRET assay
50049182	142	ChEMBL_1658097 (CHEMBL4007709)	Inhibition of GRK5 (unknown origin) after 60 mins by TR-FRET assay
50049182	138	ChEMBL_1658134 (CHEMBL4007746)	Inhibition of SRC (unknown origin) after 60 mins by TR-FRET assay
50049182	148	ChEMBL_1658093 (CHEMBL4007705)	Inhibition of FAK (unknown origin) after 60 mins by TR-FRET assay
50049182	135	ChEMBL_1658139 (CHEMBL4007751)	Inhibition of TNK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	141	ChEMBL_1658096 (CHEMBL4007708)	Inhibition of Fyn (unknown origin) after 60 mins by TR-FRET assay
50049182	91	ChEMBL_1658120 (CHEMBL4007732)	Inhibition of PDGFRA (unknown origin) after 60 mins by TR-FRET assay
50049182	146	ChEMBL_1658091 (CHEMBL4007703)	Inhibition of DYRK1B (unknown origin) after 60 mins by TR-FRET assay
50049182	134	ChEMBL_1658138 (CHEMBL4007750)	Inhibition of TBK1 (unknown origin) after 60 mins by TR-FRET assay
50049182	139	ChEMBL_1658135 (CHEMBL4007747)	Inhibition of STK16 (unknown origin) after 60 mins by TR-FRET assay
50049182	121	ChEMBL_1658144 (CHEMBL4007756)	Inhibition of TYRO3 (unknown origin) after 60 mins by TR-FRET assay
50049182	105	ChEMBL_1658035 (CHEMBL4007647)	Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FRET assay
50049182	115	ChEMBL_1658103 (CHEMBL4007715)	Inhibition of JAK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	116	ChEMBL_1658104 (CHEMBL4007716)	Inhibition of JAK3 (unknown origin) after 60 mins by TR-FRET assay
50049182	104	ChEMBL_1658112 (CHEMBL4007724)	Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay
50049182	133	ChEMBL_1658137 (CHEMBL4007749)	Inhibition of TAOK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	123	ChEMBL_1658068 (CHEMBL4007680)	Inhibition of ABL (unknown origin) after 60 mins by TR-FRET assay
50049182	109	ChEMBL_1658074 (CHEMBL4007686)	Inhibition of AURKB (unknown origin) after 60 mins by TR-FRET assay
50049182	124	ChEMBL_1658145 (CHEMBL4007757)	Inhibition of Wee1 (unknown origin) after 60 mins by TR-FRET assay
50049182	144	ChEMBL_1658098 (CHEMBL4007710)	Inhibition of GSK3A (unknown origin) after 60 mins by TR-FRET assay
50049182	93	ChEMBL_1658081 (CHEMBL4007693)	Inhibition of CDK7 (unknown origin) after 60 mins by TR-FRET assay
50049182	114	ChEMBL_1658107 (CHEMBL4007719)	Inhibition of KDR (unknown origin) after 60 mins by TR-FRET assay
50049182	85	ChEMBL_1658121 (CHEMBL4007733)	Inhibition of PDGFRB (unknown origin) after 60 mins by TR-FRET assay
50034909	2	ChEMBL_142889 (CHEMBL747300)	Compound was evaluated for the antagonistic activity against NK1 receptor
50034909	3	ChEMBL_84420 (CHEMBL691452)	Antagonism of the human histamine H1 receptor
50049182	108	ChEMBL_1658073 (CHEMBL4007685)	Inhibition of AURKA (unknown origin) after 60 mins by TR-FRET assay
50049182	97	ChEMBL_1658114 (CHEMBL4007726)	Inhibition of MEK1 (unknown origin) after 60 mins by TR-FRET assay
50049182	143	ChEMBL_1658130 (CHEMBL4007742)	Inhibition of ROCK1(unknown origin) after 60 mins by TR-FRET assay
50034909	4	ChEBML_209383	Compound was evaluated for the antagonistic activity against Tachykinin receptor 2
50049182	122	ChEMBL_1658101 (CHEMBL4007713)	Inhibition of IKKE (unknown origin) after 60 mins by TR-FRET assay
50034909	5	ChEBML_142889	Compound was evaluated for the antagonistic activity against NK1 receptor
50034909	6	ChEBML_84420	Antagonism of the human histamine H1 receptor
50049182	111	ChEMBL_1658076 (CHEMBL4007688)	Inhibition of BTK (unknown origin) after 60 mins by TR-FRET assay
50049182	84	ChEMBL_1658128 (CHEMBL4007740)	Inhibition of Prkcn (unknown origin) after 60 mins by TR-FRET assay
50049182	80	ChEMBL_1658129 (CHEMBL4007741)	Inhibition of RET (unknown origin) after 60 mins by TR-FRET assay
50049182	132	ChEMBL_1658136 (CHEMBL4007748)	Inhibition of Syk (unknown origin) after 60 mins by TR-FRET assay
50049182	131	ChEMBL_1658142 (CHEMBL4007754)	Inhibition of TrkC (unknown origin) after 60 mins by TR-FRET assay
50049182	88	ChEMBL_1658089 (CHEMBL4007701)	Inhibition of DDR1 (unknown origin) after 60 mins by TR-FRET assay
50049182	94	ChEMBL_1658082 (CHEMBL4007694)	Inhibition of CDK8 (unknown origin) after 60 mins by TR-FRET assay
50049182	79	ChEMBL_1658090 (CHEMBL4007702)	Inhibition of DYRK1A (unknown origin) after 60 mins by TR-FRET assay
50049182	89	ChEMBL_1658123 (CHEMBL4007735)	Inhibition of PIM2 (unknown origin) after 60 mins by TR-FRET assay
50049182	87	ChEMBL_1658122 (CHEMBL4007734)	Inhibition of PIM1 (unknown origin) after 60 mins by TR-FRET assay
50034911	1	ChEBML_86896	Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamine
50034912	1	ChEBML_202119	The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 0.025 mM NADPH
50049182	117	ChEMBL_1658105 (CHEMBL4007717)	Inhibition of JNK1 (unknown origin) after 60 mins by TR-FRET assay
50049182	119	ChEMBL_1658143 (CHEMBL4007755)	Inhibition of TTK (unknown origin) after 60 mins by TR-FRET assay
50034913	3	ChEBML_27607	Binding affinity for Adenosine A1 receptor
50034914	1	ChEBML_80097	The compound was tested for inhibitory activity against HIV reverse transcriptase
50034915	1	ChEBML_63617	Inhibition of Epidermal growth factor receptor autophosphorylation, 0.05-0.10
50034915	2	ChEMBL_63617 (CHEMBL676161)	Inhibition of Epidermal growth factor receptor autophosphorylation, 0.05-0.10
50034915	3	ChEMBL_151535 (CHEMBL762248)	Inhibition of p56lck kinase autophosphorylation in Jurkat cells
50034915	4	ChEBML_221310	Inhibition of p56 Lck tyrosine kinase in Jurkat cells where p56lck autophosphorylation is inhibited.
50049182	126	ChEMBL_1658069 (CHEMBL4007681)	Inhibition of ACVR1 (unknown origin) after 60 mins by TR-FRET assay
50049182	98	ChEMBL_1658115 (CHEMBL4007727)	Inhibition of MEK2 (unknown origin) after 60 mins by TR-FRET assay
50034917	1	ChEBML_208134	Inhibition of thrombin
50034917	2	ChEBML_212354	Inhibition of trypsin
50049182	154	ChEMBL_1658094 (CHEMBL4007706)	Inhibition of FGFR1 (unknown origin) after 60 mins by TR-FRET assay
50049182	112	ChEMBL_1658070 (CHEMBL4007682)	Inhibition of AKT (unknown origin) after 60 mins by TR-FRET assay
50049182	155	ChEMBL_1658132 (CHEMBL4007744)	Inhibition of RSK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	145	ChEMBL_1658131 (CHEMBL4007743)	Inhibition of ROCK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	95	ChEMBL_1658083 (CHEMBL4007695)	Inhibition of CDK9 (unknown origin) after 60 mins by TR-FRET assay
50049182	118	ChEMBL_1658106 (CHEMBL4007718)	Inhibition of JNK2 (unknown origin) after 60 mins by TR-FRET assay
50049182	102	ChEMBL_1658111 (CHEMBL4007723)	Inhibition of MAP3K10 (unknown origin) after 60 mins by TR-FRET assay
50049182	82	ChEMBL_1658126 (CHEMBL4007738)	Inhibition of PKCzeta (unknown origin) after 60 mins by TR-FRET assay
50049182	127	ChEMBL_1658146 (CHEMBL4007758)	Inhibition of ZIPK (unknown origin) after 60 mins by TR-FRET assay
50034919	1	ChEBML_142716	Tested for the binding affinity to human NK2 receptor expressed in Sf-9 insect larval cells using 0.1 nM 2-[125 I] iodohistidyl neurokinin A
50049182	156	ChEMBL_1658109 (CHEMBL4007721)	Inhibition of LTK (unknown origin) after 60 mins by TR-FRET assay
50049182	136	ChEMBL_1658099 (CHEMBL4007711)	Inhibition of GSK3B (unknown origin) after 60 mins by TR-FRET assay
50049182	110	ChEMBL_1658075 (CHEMBL4007687)	Inhibition of BRAF (unknown origin) after 60 mins by TR-FRET assay
50049182	125	ChEMBL_1658102 (CHEMBL4007714)	Inhibition of INSR (unknown origin) after 60 mins by TR-FRET assay
50034922	2	ChEMBL_40215 (CHEMBL653061)	Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat cerebral cortex membrane(CCK-B)
50034922	5	ChEMBL_40052 (CHEMBL652048)	Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to rat pancreas membrane(CCK-A)
50034922	6	ChEBML_47968	Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig pancreatic Cholecystokinin type B receptor
50034923	1	ChEBML_64201	In vitro inhibition against recombinant human Endothelin converting enzyme 1 activity
50034923	2	ChEBML_144318	Inhibition of neutral endopeptidase 24.11(NEP)
50034926	1	ChEBML_192352	Compound was evaluated for its inhibitory activity against adhesion of HL-60(human promyelocytic leukemia cells) to recombinant human soluble E-selectin (rhsE).
50034927	2	ChEBML_58464	Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor
50034927	3	ChEBML_58936	Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor
50034929	2	ChEBML_140308	Tested for in vitro binding affinity against glycine-bining site of NMDA receptor using [3H]MDL-105519 binding assay
50049182	137	ChEMBL_1658133 (CHEMBL4007745)	Inhibition of SGK1 (unknown origin) after 60 mins by TR-FRET assay
50049182	83	ChEMBL_1658127 (CHEMBL4007739)	Inhibition of PKG1A (unknown origin) after 60 mins by TR-FRET assay
50034931	1	ChEBML_3823	Inhibitory concentration required against 5-lipoxygenase activity in intact cells of human neutrophils
50034931	3	ChEBML_51856	Inhibitory concentration required against COX-2 activity in intact human monocytes
50034933	1	ChEBML_142865	Compound was evaluated for affinity towards human Neurokinin NK2 receptor
50049182	92	ChEMBL_1658080 (CHEMBL4007692)	Inhibition of CDK2 (unknown origin) after 60 mins by TR-FRET assay
50034933	3	ChEBML_142872	Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
50034933	4	ChEMBL_142872 (CHEMBL750067)	Compound was evaluated for its ability to displace [3H]NKB binding in hNK3 receptors expressed in CHO cells
50034933	5	ChEBML_142735	Compound was evaluated for affinity towards human Neurokinin NK1 receptor
50049182	100	ChEMBL_1658110 (CHEMBL4007722)	Inhibition of MAP2K3 (unknown origin) after 60 mins by TR-FRET assay
50034935	1	ChEMBL_213031 (CHEMBL816969)	Ability to inhibit Trypsin was evaluated by amidolytic method using fluorogenic or chromogenic substrates
50034935	2	ChEMBL_90857 (CHEMBL699293)	Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrate
50034935	3	ChEMBL_152523 (CHEMBL757558)	Ability to inhibit papain was evaluated by amidolytic method using fluorogenic or chromogenic substrates
50034935	4	ChEMBL_90855 (CHEMBL699291)	Ability to inhibit IL-1 beta converting enzyme was evaluated in LPS-stimulated human whole blood
50034935	5	ChEMBL_208724 (CHEMBL808504)	Ability to inhibit Thrombin was evaluated by amidolytic method using fluorogenic or chromogenic substrates
50034935	6	ChEMBL_46652 (CHEMBL658906)	Amidolytic activity of THP.1 cell lysate against Caspase-3 using C3-Asp-AMC as a substrate
50034936	1	ChEBML_142731	Neurokinin (NK1) receptor antagonistic activity was evaluated.
50034937	1	ChEBML_209250	Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to a thrombin receptor (PAR-1) membrane preparation.
50034938	1	ChEBML_29078	In vitro inhibitory activity against Acetylcholinesterase (AChE) using rat brain hippocampal crude homogenates.
50034940	1	ChEBML_63877	In vitro ability to inhibit specific [125I]ET1 binding to porcine kidney (inner medulla) membranes Endothelin B receptor
50034940	2	ChEBML_63346	In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor
50034941	1	ChEBML_68195	Estrone-sulfatase activity against homogenized human JEG-3 cells was determined by measuring the [3H]E1 obtained from [3H]E1S
50034941	2	ChEMBL_68195 (CHEMBL675508)	Estrone-sulfatase activity against homogenized human JEG-3 cells was determined by measuring the [3H]E1 obtained from [3H]E1S
50034943	2	ChEBML_106374	In vitro antagonist activity at recombinant human Metabotropic glutamate receptor 3 expressed in RGT cells.
50034943	6	ChEBML_104489	In vitro antagonist activity at recombinant Metabotropic glutamate receptor 8 expressed in RGT cells.
50034944	1	ChEBML_139794	Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell
50034944	2	ChEBML_138344	Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell
50034944	3	ChEBML_139800	Evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell
50034944	4	ChEMBL_139529 (CHEMBL748285)	Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]-NMS radioligand using membranes in transfected chinese hamster ovarian cell
50034944	5	ChEBML_139673	Compound was evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell
50034944	6	ChEBML_139527	Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell at 1000 nM concentration
50034944	7	ChEMBL_139657 (CHEMBL745635)	Compound was evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell
50034944	8	ChEMBL_139801 (CHEMBL873439)	Compound was evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]-NMS radioligand using membranes from transfected chinese hamster ovarian cell
50034944	10	ChEMBL_139673 (CHEMBL745651)	Compound was evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell
50034944	12	ChEMBL_139795 (CHEMBL749767)	Compound was evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS radioligand using membranes from transfected chinese hamster ovarian cell
50049182	147	ChEMBL_1658092 (CHEMBL4007704)	Inhibition of EGFR (unknown origin) after 60 mins by TR-FRET assay
50049182	106	ChEMBL_1658079 (CHEMBL4007691)	Inhibition of CAMKK2 (unknown origin) after 60 mins by TR-FRET assay
50034946	1	ChEBML_70494	Inhibition of GST-Grb2 Tyrosine kinase SH2 domain binding to [3H]labeled-phosphopeptide (Ac-SpYVNK-NH-C(O)-CH2CH2H3)
50034948	2	ChEBML_201032	Binding affinity to 5-HT1A receptor in rat hippocampus by [3H]8-OH-DPAT displacement.
50034948	3	ChEBML_61971	Binding affinity to cloned human Dopamine receptor D3 expressed in CHO cells by [3H]spiperone displacement.
50034948	4	ChEBML_59914	Binding affinity to cloned human Dopamine receptor D2 expressed in A9L cells by [3H]spiperone displacement.
50049183	1	ChEMBL_1658250 (CHEMBL4007862)	Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and presence of tween20 by fluorescence assay
50049183	2	ChEMBL_1658252 (CHEMBL4007864)	Inhibition of recombinant human IDO1 expressed in yeast assessed as yeast growth restoration after 40 to 45 hrs in presence of galactose
50034950	3	ChEMBL_154920 (CHEMBL764694)	Inhibitory activity against plasmepsin-2 from Plasmodium falciparum
50034950	4	ChEBML_45187	Inhibitory activity against cathepsin D
50049183	3	ChEBML_1658252	Inhibition of recombinant human IDO1 expressed in yeast assessed as yeast growth restoration after 40 to 45 hrs in presence of galactose
50049183	7	ChEMBL_1658278 (CHEMBL4007890)	Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs
50049183	4	ChEMBL_1658268 (CHEMBL4007880)	Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in presence of GSH and tween20 by fluorescence assay
50049183	5	ChEMBL_1658267 (CHEMBL4007879)	Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and tween20 by fluorescence assay
50049183	6	ChEMBL_1658284 (CHEMBL4007896)	Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs in presence of GSH
50034952	1	ChEBML_32885	Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay
50034952	3	ChEBML_33022	Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay
50034952	4	ChEBML_146315	Opioid binding affinity was evaluated using [3H]DAMGO as radioligand
50034952	2	ChEBML_33013	Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay
50034953	1	ChEBML_39763	In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Tyr] bombesin.
50049184	1	ChEMBL_1658330 (CHEMBL4007942)	Inhibition of human PDGFRalpha
50049184	2	ChEMBL_1658331 (CHEMBL4007943)	Inhibition of human KIT
50049184	3	ChEMBL_1658327 (CHEMBL4007939)	Inhibition of human FLT3
50049184	4	ChEMBL_1658361 (CHEMBL4007973)	Inhibition of microsomal CYP3A4 (unknown origin) using midazolam as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	5	ChEMBL_1658362 (CHEMBL4007974)	Inhibition of microsomal CYP3A4 (unknown origin) using testosterone as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	6	ChEMBL_1658363 (CHEMBL4007975)	Inhibition of microsomal CYP1A2 (unknown origin) using phenacetin as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	7	ChEMBL_1658364 (CHEMBL4007976)	Inhibition of microsomal CYP2B6 (unknown origin) using bupropion as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50034956	1	ChEBML_106288	Inhibition of matrix metalloprotease-1 (MMP-1)
50034956	2	ChEBML_105513	Inhibition of matrix metalloprotease-9 (MMP-9)
50034956	3	ChEBML_106628	Inhibition of matrix metalloprotease-13 (MMP-13)
50049184	8	ChEMBL_1658365 (CHEMBL4007977)	Inhibition of microsomal CYP2C8 (unknown origin) using amodiaquine as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	9	ChEMBL_1658366 (CHEMBL4007978)	Inhibition of microsomal CYP2C9 (unknown origin) using diclofenac as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	10	ChEMBL_1658367 (CHEMBL4007979)	Inhibition of microsomal CYP2C19 (unknown origin) using S-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	11	ChEMBL_1658368 (CHEMBL4007980)	Inhibition of microsomal CYP2D6 (unknown origin) using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50049184	12	ChEMBL_1658369 (CHEMBL4007981)	Inhibition of human ERG expressed in CHO cells by Qpatch assay
50049185	1	ChEMBL_1658433 (CHEMBL4008045)	Binding affinity to N-terminal 6His-GST-tagged human MR LBD (727 to 984 residues) harboring C808S mutation expressed in Escherichia coli BL21DE3/corticosterone complex by AlphaScreen assay
50034958	1	ChEBML_221936	Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor.
50049185	2	ChEMBL_1658407 (CHEMBL4008019)	Antagonist activity at Gal4-fused human MR LBD (671 to 984 residues) expressed in African Green Monkey CV-1 cells assessed as inhibition of aldosterone-induced transactivation activity after 20 hrs by luciferase reporter gene assay
50049185	3	ChEMBL_1658436 (CHEMBL4008048)	Displacement of [3H]-Aldosterone from human MR overexpressed in FreeStyle 293 cells incubated for 16 hrs by TopCount method
50049185	4	ChEMBL_1658437 (CHEMBL4008049)	Displacement of [3H]-cortisol from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method
50049185	5	ChEMBL_1658428 (CHEMBL4008040)	Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method
50049185	6	ChEMBL_1658429 (CHEMBL4008041)	Antagonist activity at human MR overexpressed in HEK293 cells assessed as inhibition of aldosterone-induced response measured after overnight incubation by luciferase reporter gene assay
50049185	7	ChEMBL_1658411 (CHEMBL4008023)	Antagonist activity at Gal4-fused human MR LBD (734 to 985 residues) expressed in CHO-K1 cells after 5 to 6 hrs by luciferase reporter gene assay
50049185	8	ChEMBL_1658402 (CHEMBL4008014)	Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486 by liquid scintillation counting method
50049185	9	ChEMBL_1658415 (CHEMBL4008027)	Displacement of TAMRA-labeled dexamethasone from full-length human mineralocorticoid receptor expressed in baculovirus infected insect cells after 60 mins by fluorescence polarization assay
50049185	10	ChEMBL_1658416 (CHEMBL4008028)	Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity after 18 hrs by luciferase reporter gene assay
50049185	11	ChEMBL_1658414 (CHEMBL4008026)	Binding affinity to MR (unknown origin)
50034962	1	ChEMBL_225981 (CHEMBL844178)	Compound was tested in vitro for inhibition of tubulin polymerization
50034963	1	ChEMBL_204906 (CHEMBL809541)	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 receptor from human prostate homogenates.
50034963	2	ChEBML_204898	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1
50034963	3	ChEMBL_204905 (CHEMBL809540)	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 receptor from human prostate homogenates
50034963	4	ChEMBL_204898 (CHEMBL808567)	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1
50034963	5	ChEBML_204905	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 2 receptor from human prostate homogenates
50034963	6	ChEMBL_204894 (CHEMBL808564)	Compound was evaluated for the inhibition of human Steroid 5-alpha-reductase type 1 from recombinant CHO cells; No inhibition up to 10 uM concentration
50034964	2	ChEBML_139523	Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor
50034964	3	ChEMBL_139525 (CHEMBL748281)	Effective concentration required for stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor
50049185	12	ChEMBL_1658424 (CHEMBL4008036)	Antagonist activity at Gal4-fused human MR LBD (672 to 984 residues) expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity after 24 hrs by luciferase reporter gene assay
50034965	4	ChEMBL_220149 (CHEMBL881158)	Compound was evaluated for inhibition of human recombinant KYN 3-OHase
50049185	13	ChEMBL_1658425 (CHEMBL4008037)	Antagonist activity at Gal4-fused MR LBD (unknown origin) expressed in human Huh7 cells assessed as inhibition of aldosterone-induced transcriptional activity after 3 hrs by luciferase reporter gene assay
50034965	6	ChEMBL_218527 (CHEMBL824465)	Compound was evaluated for inhibition of rat liver KYN 3-OHase
50034965	8	ChEBML_220149	Compound was evaluated for inhibition of human recombinant KYN 3-OHase
50049185	14	ChEMBL_1658412 (CHEMBL4008024)	Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity after 16 hrs by luciferase reporter gene assay
50049185	15	ChEMBL_1658426 (CHEMBL4008038)	Displacement of [3H]-Aldosterone from MR in rat kidney cytosolic fraction measured after 18 hrs by liquid scintillation counting method
50049185	16	ChEMBL_1658427 (CHEMBL4008039)	Displacement of [3H]-Aldosterone from MR in Sprague-Dawley rat kidney cytosolic fraction measured after overnight incubation by liquid scintillation counting method
50034967	1	ChEBML_50178	Displacement of 125I]-D-Tyr-Gly-[(Nle28,31)CCK-26-33] from rat cell membrane Cholecystokinin type A receptor
50049185	17	ChEMBL_1658413 (CHEMBL4008025)	Antagonist activity at GAL4-fused human GR LBD (443 to 777 residues) expressed in CHO-K1 cells assessed as inhibition of dexamethasone-induced transactivation activity after 5 to 6 hrs by luciferase reporter gene assay
50049185	18	ChEMBL_1658408 (CHEMBL4008020)	Antagonist activity at GAL4-fused human AR LBD (667 to 919 residues) expressed in CHO-K1 cells assessed as inhibition of dihydrotestosterone-induced transactivation activity after 5 to 6 hrs by luciferase reporter gene assay
50049185	19	ChEMBL_1658409 (CHEMBL4008021)	Antagonist activity at GAL4-fused human PR LBD (680 to 933 residues) expressed in CHO-K1 cells assessed as inhibition of progesterone-induced transactivation activity after 5 to 6 hrs by luciferase reporter gene assay
50034969	1	ChEBML_30481	Binding affinity for adenosine A3 receptor of rat testis membrane using [3H](R)-PIA
50049186	1	ChEMBL_1658472 (CHEMBL4008084)	Inhibition of recombinant WRN (unknown origin) helicase activity expressed in baculovirus expression system using forked duplex DNA as substrate after 15 mins by polyacrylamide gel electrophoresis
50049186	2	ChEMBL_1658471 (CHEMBL4008083)	Inhibition of His-tagged full length human Tdp1
50034969	3	ChEBML_29334	Binding affinity for adenosine A1 receptor of rat cerebral cortex membrane using [3H]CHA
50049187	1	ChEMBL_1658487 (CHEMBL4008099)	Inhibition of recombinant rat N-terminal GST-tagged GSK3beta expressed in Escherichia coli assessed as reduction in tau phosphorylation preincubated for 30 mins followed by tau protein addition measured after 1 hr by ELISA
50049187	2	ChEMBL_1658488 (CHEMBL4008100)	Inhibition of tau (unknown origin) fibril formation by thioflavin-T fluorescence based assay
50049187	3	ChEMBL_1658489 (CHEMBL4008101)	Inhibition of tau (unknown origin) fibril formation by fluorescence assay
50049188	1	ChEMBL_1658551 (CHEMBL4008163)	Binding affinity to PPARdelta (unknown origin) assessed as kinetic dissociation constant by SPR assay
50034970	1	ChEBML_159310	Inhibition of HIV-1 protease by fluorogenic substrate assay
50049188	2	ChEMBL_1658517 (CHEMBL4008129)	Transactivation of GAL4-fused human PPARalpa LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50049188	3	ChEMBL_1658509 (CHEMBL4008121)	Transactivation of GAL4-fused human PPARdelta LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50049188	4	ChEMBL_1658549 (CHEMBL4008161)	Binding affinity to PPARalpha (unknown origin) assessed as kinetic dissociation constant by SPR assay
50049188	5	ChEMBL_1658550 (CHEMBL4008162)	Binding affinity to PPARgamma (unknown origin) assessed as kinetic dissociation constant by SPR assay
50049188	6	ChEMBL_1658520 (CHEMBL4008132)	Transactivation of GAL4-fused human PPARgamma LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50049188	7	ChEMBL_1658514 (CHEMBL4008126)	Binding affinity to PPARalpha (unknown origin) assessed as thermodynamic dissociation constant by SPR assay
50049188	8	ChEMBL_1658515 (CHEMBL4008127)	Binding affinity to PPARgamma (unknown origin) assessed as thermodynamic dissociation constant by SPR assay
50049188	9	ChEMBL_1658516 (CHEMBL4008128)	Binding affinity to PPARdelta (unknown origin) assessed as thermodynamic dissociation constant by SPR assay
50049189	1	ChEBML_1658555	Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA
50049189	6	ChEMBL_1658554 (CHEMBL4008166)	Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL assessed as reduction in SAH production using H3[21-44,K27Me0) peptide as substrate measured after 20 mins by LC/MS/MS method
50034972	3	ChEBML_71399	Displacement of Dexamethasone from human glucocorticoid receptor
50049189	3	ChEMBL_1658555 (CHEMBL4008167)	Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA
50049189	7	ChEMBL_1658594 (CHEMBL4008206)	Inhibition of human ERG by QPatch assay
50034972	5	ChEBML_36274	Displacement of DHT from human androgen receptor
50049189	5	ChEMBL_1658597 (CHEMBL4008209)	Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL incubated for 20 mins using EED-H3K27me3 peptide based AlphaScreen competition binding assay
50049189	2	ChEMBL_1658593 (CHEMBL4008205)	Inhibition of human ERG by binding assay
50049190	1	ChEMBL_1658602 (CHEMBL4008214)	Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate
50049190	2	ChEMBL_1658604 (CHEMBL4008216)	Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate after 90 mins by scintillation counting
50049190	3	ChEMBL_1658603 (CHEMBL4008215)	Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate
50049191	1	ChEMBL_1658646 (CHEMBL4008258)	Inhibition of human mitochondrial RNA polymerase after 30 mins in presence of [33P]GTP
50049191	2	ChEMBL_1658648 (CHEMBL4008260)	Inhibition of recombinant human DNA polymerase alpha preincubated with enzyme followed by addition of dATP/dGTP/TTP as substrate in presence of [gamma-33P]TTP by phosphorimaging assay
50049191	3	ChEMBL_1658649 (CHEMBL4008261)	Inhibition of recombinant human DNA polymerase beta preincubated with enzyme followed by addition of dATP/dGTP/TTP as substrate in presence of [gamma-33P]TTP by phosphorimaging assay
50049192	1	ChEMBL_1658682 (CHEMBL4008294)	Inhibition of Staphylococcus aureus ATCC 27659 histidine-tagged full length CrtM expressed in Escherichia coli BL21(DE3) cells assessed as decrease in staphyloxanthin formation after 30 mins by continous spectrophotometric method
50049193	1	ChEBML_1658703	Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50049193	4	ChEMBL_1658706 (CHEMBL4008318)	Irreversible inhibition of inactive state of wild-type full-length recombinant His-tagged BMX phosphorylation (unknown origin) at tyrosine residue expressed in baculovirus infected SF9 cells preincubated for 30 mins followed by ATP addition measured after 20 mins by Western blot analysis
50049193	9	ChEMBL_1658703 (CHEMBL4008315)	Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50034973	1	ChEBML_72905	Compound was tested for the inhibition of Leishmania mexicana GAPDH(glyceraldehyde-3-phosphate dehydrogenase)
50049193	8	ChEMBL_1658726 (CHEMBL4008338)	Inhibition of full-length recombinant human GST-tagged p38alpha expressed in Escherichia coli by Z'-LYTE assay
50049193	3	ChEMBL_1658727 (CHEMBL4008339)	Inhibition of human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system by LanthaScreen assay
50049193	5	ChEMBL_1658723 (CHEMBL4008335)	Binding affinity to active state of full length fluorescent labeled human BMX (1 to 675 amino acid residues) expressed in bacterial expression system after 10 mins by microscale thermophoresis assay
50049193	2	ChEMBL_1658722 (CHEMBL4008334)	Binding affinity to inactive state of full length fluorescent labeled human BMX (1 to 675 amino acid residues) expressed in bacterial expression system after 10 mins by microscale thermophoresis assay
50049193	6	ChEMBL_1658725 (CHEMBL4008337)	Inhibition of full-length recombinant human His-tagged BTK expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50034975	1	ChEBML_205567	Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells
50049193	7	ChEMBL_1658759 (CHEMBL4008371)	Inhibition of full-length recombinant human His-tagged BTK expressed in baculovirus expression system by Z'-LYTE assay
50034976	2	ChEBML_162099	Compound was evaluated for 50% inhibition of PTP1B using uM)
50034976	4	ChEBML_39937	Compound was evaluated for inhibitory constant against CD45
50034977	1	ChEBML_37571	The compound was tested for its inhibitory activity against beta-glucosidase
50034977	2	ChEBML_34406	The compound was tested for its inhibitory activity against Alpha-glucosidase
50034977	3	ChEBML_41367	The compound was tested for its inhibitory activity against beta-mannosidase
50034978	1	ChEBML_204901	Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase type 1 in rat
50049194	1	ChEBML_1658761	Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by malachite green reagent based assay
50034979	1	ChEBML_184250	Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes
50034979	2	ChEBML_184249	Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes
50034979	3	ChEBML_201359	Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter -hSERT
50034979	4	ChEBML_184248	Inhibition of [3H]- DA reuptake into rat striatal synaptosomes
50034979	5	ChEBML_142806	Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter
50034979	6	ChEBML_61519	Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT
50034979	7	ChEMBL_61518 (CHEMBL676000)	Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter -hDAT
50034979	8	ChEMBL_201359 (CHEMBL804694)	Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter -hSERT
50034980	2	ChEBML_140302	In vitro binding assay for the displacement of [3H]MDL-105519 from the glycine-site of NMDA receptors
50049194	2	ChEBML_1658778	Inhibition of human His-tagged NUDT15 expressed in bacterial expression system after 1 hr by malachite green reagent based assay
50049194	3	ChEBML_1658779	Inhibition of human His-tagged ITPase expressed in bacterial expression system after 1 hr by malachite green reagent based assay
50049194	10	ChEMBL_1658761 (CHEMBL4008373)	Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by malachite green reagent based assay
50034981	3	ChEMBL_58712 (CHEMBL669058)	Compound was tested for binding affinity against Dopamine receptor D2 in rat brain synaptic membrane using [3H]-spiperone as radioligand
50049194	7	ChEMBL_1658777 (CHEMBL4008389)	Inhibition of NUDT9 (unknown origin) by malachite green reagent based assay
50049194	6	ChEMBL_1658776 (CHEMBL4008388)	Inhibition of human His-tagged NUDT14 expressed in bacterial expression system after 1 hr by malachite green reagent based assay
50049194	4	ChEMBL_1658774 (CHEMBL4008386)	Inhibition of NUDT2 (unknown origin) by malachite green reagent based assay
50034982	1	ChEMBL_29646 (CHEMBL639753)	Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA
50034982	2	ChEMBL_27425 (CHEMBL646669)	Binding against human adenosine A1 receptor
50034982	3	ChEBML_29646	Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA
50034982	4	ChEMBL_28207 (CHEMBL637700)	Binding affinity against adenosine A1 receptor in rat brain using [3H]R-PIA
50034982	5	ChEBML_27424	Binding against Human Adenosine A1 receptor
50034983	1	ChEBML_30930	Binding affinity against Adenosine A2a receptor from rat striata
50034983	2	ChEBML_29467	Binding affinity for rat brain Adenosine A1 receptor
50034984	1	ChEBML_53591	Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.
50034984	3	ChEBML_138996	Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.
50049194	5	ChEMBL_1658775 (CHEMBL4008387)	Inhibition of human His-tagged NUDT5 expressed in bacterial expression system in presence of ADP after 1 hr by malachite green reagent based assay
50049194	8	ChEMBL_1658792 (CHEMBL4008404)	Inhibition of dCTPase 1 (unknown origin) expressed in Escherichia coli BL21 Star (DE3) using dCTP as substrate by luminescence assay
50034985	1	ChEBML_103854	Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate
50034986	1	ChEBML_105556	Compound was evaluated for agonist activity against human mGluR2
50034987	1	ChEBML_157553	Compound was evaluated for binding affinity against HIV protease
50034988	1	ChEBML_4293	Evaluated for inhibitory activity against RBL-1 cell 5-lipoxygenase in guinea pig
50049194	9	ChEMBL_1658773 (CHEMBL4008385)	Inhibition of recombinant human MTH1 using dGTP as substrate after 1 hr by malachite green reagent based assay
50049195	1	ChEBML_1658795	Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter activity by measuring increase in secreted alkaline phosphatase level by spectrophotometric method
50049195	2	ChEBML_1658796	Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter activity by measuring increase in secreted alkaline phosphatase level by spectrophotometric method
50049195	3	ChEMBL_1658795 (CHEMBL4008407)	Agonist activity at human TLR7 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter activity by measuring increase in secreted alkaline phosphatase level by spectrophotometric method
50049195	4	ChEMBL_1658796 (CHEMBL4008408)	Agonist activity at human TLR8 expressed in HEK293 cells co-expressing secreted alkaline phosphatase assessed as induction of NF-kappaB/AP-1 promoter activity by measuring increase in secreted alkaline phosphatase level by spectrophotometric method
50034990	1	ChEBML_62127	Binding affinity evaluated for the displacement of [3H]-spiperone against human dopamine receptor D3
50034990	2	ChEBML_60336	Binding affinity was evaluated for the displacement of [3H]-SCH- 23390 against bovine Dopamine receptor D1
50034990	3	ChEBML_59478	Binding affinity was evaluated for the displacement of [3H]spiperone against bovine Dopamine receptor D2
50034990	4	ChEBML_60666	Binding affinity evaluated for the displacement of [3H]spiperone against human dopamine receptor D4
50034991	3	ChEBML_99189	Inhibitor constant was measured against Liver phosphorylase a in rat
50049196	2	ChEMBL_1658821 (CHEMBL4008433)	Inhibition of recombinant human TACE extracellular domain (215 to 671 residues) assessed as inhibition of proteolytic activity preincubated for 30 mins prior to addition of Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate measured every 2 mins for 3 hrs by fluorescence analysis
50049196	3	ChEMBL_1658817 (CHEMBL4008429)	Inhibition of Bacillus anthracis lethal factor protease preincubated for 30 mins prior to addition of substrate containing fluorescent proteins CyPet and YPet measured every 2 mins for 3 hrs by FRET assay
50049196	1	ChEMBL_1658820 (CHEMBL4008432)	Inhibition of Bacillus anthracis lethal factor protease preincubated for 30 mins prior to addition of substrate containing fluorescent proteins CyPet and YPet measured every 2 mins for 3 hrs in presence of 0.1% BSA by FRET assay
50034992	1	ChEBML_162231	Inhibitory activity against Protein kinase C beta isoform (PKC) from pig spleen.
50034992	2	ChEBML_42944	Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings
50049196	4	ChEMBL_1658822 (CHEMBL4008434)	Inhibition of recombinant human TACE extracellular domain (215 to 671 residues) assessed as inhibition of proteolytic activity preincubated for 30 mins prior to addition of Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate measured every 2 mins for 3 hrs in presence of 0.1% BSA by fluorescence analysis
50049197	1	ChEMBL_1658827 (CHEMBL4008439)	Inhibition of human kallikrein 5
50049197	2	ChEMBL_1658826 (CHEMBL4008438)	Inhibition of KLK7 (unknown origin)
50049197	3	ChEMBL_1658825 (CHEMBL4008437)	Inhibition of recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in Escherichia coli Rosetta using Z-Lys-thiobenzyl as substrate pretreated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorescein probe based spectrofluorimetric thioesterolysis assay
50049197	4	ChEMBL_1658831 (CHEMBL4008443)	Inhibition of human thrombin
50049197	5	ChEMBL_1658830 (CHEMBL4008442)	Inhibition of human coagulation factor 10a
50049197	6	ChEMBL_1658832 (CHEMBL4008444)	Inhibition of human neutrophil elastase
50049197	7	ChEMBL_1658835 (CHEMBL4008447)	Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in Escherichia coli Rosetta by 19F NMR spectroscopic analysis
50049197	8	ChEMBL_1658834 (CHEMBL4008446)	Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in Escherichia coli Rosetta by 2D 1H 15N HSQC NMR spectroscopic analysis
50049198	1	ChEMBL_1658849 (CHEMBL4008461)	Inhibition of recombinant mouse NAMPT expressed in bacterial expression system using nicotinamide as substrate after 1 hr by fluorescence based NMNAT-3 enzyme coupled assay
50034994	5	ChEBML_32826	Inhibitory activity was measured on Aminopeptidase using GluNA as substrate
50049198	2	ChEMBL_1658851 (CHEMBL4008463)	Inhibition of NAMPT in human Jurkat T cells assessed as reduction in NAD levels
50049199	1	ChEBML_1658908	Inhibition of PDE4D3 (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50049199	2	ChEBML_1658910	Inhibition of PDE10A1 (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50049199	3	ChEMBL_1658935 (CHEMBL4008547)	Inhibition of PDE2a (unknown origin) using cAMP as substrate after 30 mins by Scintillation proximity assay
50049199	4	ChEMBL_1658937 (CHEMBL4008549)	Inhibition of human full length PDE2a using cGMP as substrate by Scintillation proximity assay
50049199	5	ChEBML_1658915	Inhibition of human full length N-terminal GST-tagged PDE9A2 expressed in Baculovirus infected Sf9 insect cells using cGMP as substrate
50049199	6	ChEBML_1658909	Inhibition of human full length N-terminal GST-tagged PDE11A4 expressed in Baculovirus infected Sf9 insect cells using cAMP as substrate
50049199	7	ChEBML_1658917	Inhibition of PDE2a in rat primary cortical neurons assessed as increase in Bay 41-8543-stimulated intracellular cGMP level preincubated for 30 mins followed by Bay 41-8543 addition measured after 30 mins by HTRF assay
50049199	8	ChEBML_1658902	Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50049199	15	ChEMBL_1658902 (CHEMBL4008514)	Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50034995	1	ChEMBL_154158 (CHEMBL759827)	Tested for the inhibitory activity against pepsin
50034995	4	ChEBML_159644	Tested for the inhibitory activity against HIV protease
50049199	10	ChEMBL_1658914 (CHEMBL4008526)	Inhibition of human full length N-terminal GST-tagged PDE8A1 expressed in Baculovirus infected Sf9 insect cells using cAMP as substrate
50049199	14	ChEMBL_1658913 (CHEMBL4008525)	Inhibition of PDE7A (unknown origin) using fluorescently labeled cAMP as substrate
50049199	13	ChEMBL_1658912 (CHEMBL4008524)	Inhibition of PDE6C (unknown origin) expressed in Baculovirus infected Sf9 insect cells using cGMP as substrate
50049199	12	ChEMBL_1658911 (CHEMBL4008523)	Inhibition of PDE5A1 (unknown origin) expressed in Baculovirus infected Sf9 insect cells using fluorescently labeled cGMP as substrate by fluorescence polarization assay
50049199	11	ChEMBL_1658906 (CHEMBL4008518)	Inhibition of PDE1B (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50034997	1	ChEBML_195505	Inhibition of purified recombinant HIV-1 reverse transcriptase
50034998	1	ChEBML_68015	Inhibitory activity against estrone sulfatase enzyme
50034999	1	ChEBML_101903	Inhibition of matrix metalloprotease-13
50034999	2	ChEBML_102115	Inhibition of matrix metalloprotease-9
50034999	3	ChEBML_101748	Inhibition of matrix metalloprotease-1
50034999	4	ChEBML_101943	Inhibition of matrix metalloprotease-3
50034999	5	ChEBML_102118	Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B)
50034999	6	ChEBML_101907	Inhibition of matrix metalloprotease-2
50034999	7	ChEBML_101933	Inhibition of matrix metalloprotease-2
50035000	2	ChEBML_219009	Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing chimeric mGluR3/1a receptor
50049199	9	ChEMBL_1658907 (CHEMBL4008519)	Inhibition of PDE3A (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50049200	1	ChEMBL_1658944 (CHEMBL4008556)	Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 by luminescence spectrophotometry
50035001	3	ChEBML_158735	In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1
50049200	2	ChEMBL_1658943 (CHEMBL4008555)	Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 by luminescence spectrophotometry
50049200	3	ChEMBL_1658946 (CHEMBL4008558)	Inhibition of jack bean alpha-mannosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry
50035001	4	ChEBML_159755	In vitro inhibitory activity against human whole blood Prostaglandin G/H synthase 2
50049200	4	ChEMBL_1658968 (CHEMBL4008580)	Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 5 in presence of beta-cyclodextrin by luminescence spectrophotometry
50049200	5	ChEMBL_1658969 (CHEMBL4008581)	Inhibition of human GCase assessed as formation of 4-methylumbelliferone from 4-methylumbelliferyl alpha-D-glucopyranoside at pH 7 in presence of beta-cyclodextrin by luminescence spectrophotometry
50049200	6	ChEMBL_1658945 (CHEMBL4008557)	Inhibition of green coffee bean alpha-galactosidase using beta-D-glycopyranoside after 10 to 30 mins by spectrophotometry
50035001	5	ChEMBL_158735 (CHEMBL768742)	In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1
50049201	1	ChEMBL_1658997 (CHEMBL4008609)	Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric method
50049201	2	ChEMBL_1658998 (CHEMBL4008610)	Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assay
50049201	3	ChEMBL_1658999 (CHEMBL4008611)	Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assay
50035003	1	ChEBML_140091	Binding affinity towards human muscarinic M2 receptor
50035003	6	ChEBML_139957	Binding affinity against M1 receptor was determined by displacing [3H]OXO-M in rat cortical homogenate
50035004	1	ChEBML_207983	In vitro inhibitory activity against thrombin
50035006	2	ChEBML_208723	Effective concentration against thrombin was determined
50035006	3	ChEBML_35865	Antithrombin III (ATIII)-mediated anti-Xa activity was determined
50035007	1	ChEBML_102101	Inhibition of matrix metalloprotease 3
50035007	2	ChEBML_105544	Inhibition of human Matrix metalloprotease-9
50035007	3	ChEBML_101900	Inhibition of matrix metalloprotease 1
50035007	4	ChEBML_101936	Inhibition of matrix metalloprotease 2
50049202	1	ChEMBL_1659126 (CHEMBL4008738)	Agonist activity at recombinant human dopamine D3 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay
50049202	2	ChEMBL_1659128 (CHEMBL4008740)	Agonist activity at human dopamine D2 receptor-short expressed in CHO-K1 cells assessed as reduction in adenylyl cyclase activator NKH 477 induced cAMP accumulation preincubated for 10 mins followed by NKH 477 addition by HTRF assay
50049202	3	ChEMBL_1659130 (CHEMBL4008742)	Agonist activity at recombinant human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay
50049202	4	ChEMBL_1659152 (CHEMBL4008764)	Displacement of [3H]anandamide from FAAH in rat brain membranes after 30 mins by liquid scintillation counting
50049202	5	ChEMBL_1659125 (CHEMBL4008737)	Inhibition of human FAAH1 expressed in HEK293 cell membrane-enriched lysate using AMC arachidonyl amide as substrate preincubated for 50 mins followed by substrate addition measured after 4 hrs by fluorescence analysis
50035010	1	ChEMBL_46452 (CHEMBL657900)	Binding affinity for brain CBI receptor was determined
50035010	3	ChEBML_46441	Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes
50035014	1	ChEMBL_43488 (CHEMBL657761)	Tested for inhibitory activity against calpain.
50035014	2	ChEMBL_47387 (CHEMBL872428)	Tested for inhibitory activity against bovine cathepsin B.
50035014	3	ChEMBL_43487 (CHEMBL657760)	Tested for inhibitory activity against calpain
50035015	1	ChEBML_149641	Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1
50035019	1	ChEBML_208629	In vitro inhibitory activity against topoisomerase II (Topo II) by using decatenation assay
50035019	2	ChEBML_208411	In vitro inhibitory activity against topoisomerase I (Topo I) by using relaxation assay
50035020	1	ChEBML_213055	In vitro trypsin inhibition
50035020	2	ChEBML_208880	In vitro thrombin inhibition
50035021	3	ChEBML_33685	Binding affinity against human Alpha-2a adrenergic receptor
50035021	5	ChEBML_33805	Binding affinity against human Alpha-2c adrenergic receptor
50035021	2	ChEBML_33606	Binding affinity against human Alpha-1A adrenergic receptor
50035021	8	ChEBML_184418	Binding affinity against rat L-type calcium channel
50035021	9	ChEBML_32431	Binding affinity against human Alpha-1D adrenergic receptor (h alpha-1d)
50035021	10	ChEMBL_33606 (CHEMBL652813)	Binding affinity against human Alpha-1A adrenergic receptor
50035021	11	ChEMBL_33524 (CHEMBL648616)	Binding affinity against human Alpha-2C adrenergic receptor
50035021	12	ChEMBL_184418 (CHEMBL791520)	Binding affinity against rat L-type calcium channel
50035021	13	ChEMBL_33062 (CHEMBL647961)	Binding affinity against human Alpha-2A adrenergic receptor
50049203	12	ChEMBL_1659154 (CHEMBL4008766)	Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 20 mins measured after 1 hr by TR-FRET assay
50035021	14	ChEBML_34329	Binding affinity against human Alpha-1B adrenergic receptor
50049203	13	ChEMBL_1659160 (CHEMBL4008772)	Inhibition of KDM1B (unknown origin)
50049203	9	ChEMBL_1659155 (CHEMBL4008767)	Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15 mins with enzyme followed by substrate addition measured after 12 mins by Amplex Ultra Red reagent based HRP enzyme coupled assay
50049203	14	ChEMBL_1659162 (CHEMBL4008774)	Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay
50049203	10	ChEMBL_1659158 (CHEMBL4008770)	Non-competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15 mins followed by substrate addition measured for 12 mins by Lineweaver-Burk plot analysis
50049203	8	ChEMBL_1659159 (CHEMBL4008771)	Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me1 peptide as substrate preincubated for 15 mins followed by substrate addition measured for 12 mins by Lineweaver-Burk plot analysis
50049203	6	ChEBML_1659161	Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay
50049203	7	ChEBML_1659162	Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay
50035023	1	ChEBML_215486	In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.
50049203	11	ChEMBL_1659153 (CHEMBL4008765)	Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using biotinylated H3K4me1 peptide as substrate preincubated for 10 mins with enzyme followed by substrate addition measured after 1 hr by TR-FRET HTS assay
50035025	4	ChEBML_135945	Binding affinity towards opioid Mu receptor using [3H]DAMGO as radioligand
50035025	5	ChEBML_53430	Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand
50035025	9	ChEBML_92552	Binding affinity towards opioid kappa receptor using [3H]U-69593 as radioligand
50035027	1	ChEBML_158969	Inhibitory activity against Human Cytomegalovirus (hCMV) protease
50035028	2	ChEBML_184440	Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex
50049204	6	ChEMBL_1659178 (CHEMBL4008790)	Inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using [Lys(Me1)4]-Histone H3 (1 to 21 residues)-GGK(biotin) as substrate incubated for 20 mins measured after 1 hr by TR-FRET assay
50049204	2	ChEBML_1659182	Inhibition of recombinant human MAOA incubated for 15 mins measured after 30 mins by luminescence-Glo assay
50035029	3	ChEBML_202130	Inhibition of [3H]5-HT uptake at striatal nerve endings by serotonin transporter
50035029	2	ChEBML_62638	Inhibition of [3H]dopamine uptake at striatal nerve endings by dopamine transporter
50049204	3	ChEBML_1659183	Inhibition of recombinant human MAOB incubated for 15 mins measured after 30 mins by luminescence-Glo assay
50049204	4	ChEBML_1659184	Inhibition of KDM1B (unknown origin)
50035030	4	ChEBML_138890	Binding affinity towards opioid Mu receptor using [3H]DAMGO as radioligand
50035030	5	ChEBML_53571	Binding affinity towards opioid Delta receptor using [3H]DADLE as radioligand
50035031	2	ChEBML_138887	Ability to displace [3H]DAMGO from mu opioid receptor
50035031	3	ChEBML_53586	Ability to displace [3H]DADL from delta opioid receptor
50035032	1	ChEBML_92394	Inhibitory activity of compound against human plasma Kallikrein (PK)
50035032	2	ChEBML_207865	Inhibitory activity of compound against Tissue Kallikrein (TK)
50035032	3	ChEBML_155604	Inhibitory activity of compound against Plasmin (HP)
50035034	1	ChEBML_66290	Compound was tested in vitro for its ability to compete with immobilized FK506 for binding to biotinylated FK506 binding protein 12 in a competitive binding assay
50035035	1	ChEBML_35494	Inhibitory activity against aminopeptidase N (APN) in human acute lymphoblastic leukemia MOLT-4 cell line
50035035	2	ChEBML_53373	Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) in human acute lymphoblastic leukemia MOLT-4 cell line
50049204	7	ChEMBL_1659179 (CHEMBL4008791)	Competitive inhibition of recombinant human KDM1A/CoREST complex expressed in Escherichia coli using H3K4me peptide as substrate preincubated for 15 mins followed by substrate addition measured for 12 mins by Lineweaver-Burk plot analysis
50035036	1	ChEBML_37574	Inhibitory activity against beta-glucosidase of sweet almond
50035036	2	ChEBML_33934	Inhibitory activity against alpha-glucosidase of yeast
50049205	1	ChEMBL_1659258 (CHEMBL4008870)	Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance method
50049205	4	ChEMBL_1659259 (CHEMBL4008871)	Binding affinity to HSP90A (unknown origin) by surface plasmon resonance method
50035038	1	ChEBML_208854	Compound was tested for inhibitory activity against thrombin
50035038	2	ChEBML_213035	Compound was tested for inhibitory activity against trypsin
50049205	2	ChEBML_1659261	Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetry
50049205	3	ChEBML_1659253	Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assay
50049205	5	ChEMBL_1659261 (CHEMBL4008873)	Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetry
50049205	6	ChEBML_1659252	Inhibition of fluorescein-labelled VER160364 binding to PDHK2 (unknown origin) after 90 mins by fluorescence polarization assay
50049205	15	ChEMBL_1659253 (CHEMBL4008865)	Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assay
50049205	11	ChEMBL_1659256 (CHEMBL4008868)	Inhibition of fluorescein-labelled VER160364 binding to PDHK3 (unknown origin) after 90 mins by fluorescence polarization assay
50035040	1	ChEBML_58296	Binding affinity towards bovine dopamine D1 receptor by [3H]-SCH- 23390 displacement.
50035040	3	ChEBML_61184	Binding affinity towards human Dopamine receptor D4 by [3H]spiperone displacement.
50035040	4	ChEBML_58778	Binding affinity towards human dopamine D3 receptor by [3H]spiperone displacement.
50049205	16	ChEMBL_1659252 (CHEMBL4008864)	Inhibition of fluorescein-labelled VER160364 binding to PDHK2 (unknown origin) after 90 mins by fluorescence polarization assay
50049205	17	ChEMBL_1659255 (CHEMBL4008867)	Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assay
50049205	14	ChEMBL_1659260 (CHEMBL4008872)	Inhibition of PDHK1 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIA
50049205	13	ChEMBL_1659262 (CHEMBL4008874)	Inhibition of PDHK1 in human PC3 cells assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by ELISA
50049205	9	ChEMBL_1659266 (CHEMBL4008878)	Inhibition of PDHK3 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIA
50049205	7	ChEMBL_1659269 (CHEMBL4008881)	Inhibition of SUMO-tagged PDHK1 (unknown origin) in presence of [gamma-32P]ATP after 30 mins by SDS-PAGE based phosphor imaging method
50035041	2	ChEBML_201337	Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamen
50049205	10	ChEMBL_1659267 (CHEMBL4008879)	Inhibition of PDHK4 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIA
50049205	12	ChEMBL_1659257 (CHEMBL4008869)	Inhibition of fluorescein-labelled VER160364 binding to PDHK4 (unknown origin) after 90 mins by fluorescence polarization assay
50049205	8	ChEMBL_1659265 (CHEMBL4008877)	Inhibition of PDHK2 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIA
50035043	1	ChEBML_48974	Inhibitory activity against Coagulation factor X
50035043	2	ChEMBL_208867 (CHEMBL808333)	Inhibitory activity against thrombin with respect to Argatroban
50035043	3	ChEBML_208866	Inhibitory activity against thrombin
50035043	4	ChEMBL_48974 (CHEMBL663504)	Inhibitory activity against Coagulation factor X
50035044	1	ChEBML_102086	Inhibition of MMP-3 (human fibroblast stromelysin)
50035044	2	ChEBML_102117	Inhibition of MMP-9 (matrix metalloprotease-9, gelatinase B)
50035044	3	ChEBML_101758	Inhibition of MMP-1 (human fibroblast collagenase)
50049206	1	ChEMBL_1659283 (CHEMBL4008895)	Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	2	ChEMBL_1659282 (CHEMBL4008894)	Inhibition of DYRK2 (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	3	ChEBML_1659284	Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	4	ChEMBL_1659331 (CHEMBL4008943)	Inhibition of DYRK1A (unknown origin)
50049206	5	ChEBML_1659285	Inhibition of CLK1 (unknown origin) using KKGRSRSRSRSRSR as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	6	ChEBML_1659282	Inhibition of DYRK2 (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	7	ChEBML_1659283	Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	8	ChEMBL_1659332 (CHEMBL4008944)	Inhibition of CLK1 (unknown origin)
50049206	9	ChEBML_1659328	Inhibition of full-length recombinant human GST-tagged DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P]ATP
50049206	13	ChEMBL_1659285 (CHEMBL4008897)	Inhibition of CLK1 (unknown origin) using KKGRSRSRSRSRSR as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	12	ChEMBL_1659330 (CHEMBL4008942)	Inhibition of full-length recombinant human GST-tagged DYRK4 expressed in baculovirus infected insect cells using DYRKtide as substrate after 5 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50049206	14	ChEMBL_1659284 (CHEMBL4008896)	Inhibition of DYRK1B (unknown origin) using woodtide as substrate after 40 mins in presence of [gamma-33P]ATP by microbeta scintillation counting
50049206	11	ChEMBL_1659301 (CHEMBL4008913)	Binding affinity to DYRK1A in human U251 cell lysate preincubated for 1 hr followed by incubation at 54 degreeC for 3 mins by isothermal dose-response fingerprint assay
50049206	10	ChEMBL_1659329 (CHEMBL4008941)	Inhibition of recombinant GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli using DYRKtide as substrate after 5 mins in presence of [gamma-33P]ATP by liquid scintillation counting
50035047	1	ChEBML_70348	Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor
50049207	1	ChEMBL_1660199 (CHEMBL4009811)	Antagonist activity at GAL4-DBD fused human FXR LBD expressed in HEK293T cells assessed as inhibition of CDCA-induced receptor activation after 24 hrs by luciferase reporter gene assay
50035049	2	ChEBML_37557	Inhibition of Beta-glucosidase activity.
50049207	2	ChEMBL_1660196 (CHEMBL4009808)	Antagonist activity at human FXR expressed in COS1 cells assessed as inhibition of CDCA-induced receptor activation after 2 days by luciferase reporter gene assay
50049208	1	ChEMBL_1660301 (CHEMBL4009913)	Inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using alpha-tubulin-acetylLys40 peptide as substrate after 45 mins in presence of NAD+ by pNCA/GDH-based microplate spectrophotometric analysis
50049208	2	ChEMBL_1660309 (CHEMBL4009921)	Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using alpha-tubulin-acetylLys40 peptide as substrate up to 5 uM after 45 mins by Lineweaver-Burk double reciprocal plot analysis
50049208	3	ChEMBL_1660310 (CHEMBL4009922)	Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherichia coli using NAD+ as substrate up to 5 uM after 45 mins by Lineweaver-Burk double reciprocal plot analysis
50049209	1	ChEBML_1660341	Agonist activity at rat N-terminal FLAG-tagged TAAR1 expressed in HEK293 cells assessed as [3H]cAMP accumulation measured after 1 hr
50035050	1	ChEBML_2831	Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2C receptor in homogenate of caudate putamen tissue from rat brain
50035050	2	ChEBML_2648	Compound was evaluated for affinity towards cerebral 5-hydroxytryptamine 2A receptor in homogenate of caudate putamen tissue from rat brain
50035050	3	ChEBML_61447	Compound was evaluated for affinity towards dopamine D2-like receptor in homogenate of caudate putamen tissue from rat brain
50035050	4	ChEBML_59008	Compound was evaluated for affinity towards dopamine D1-like receptor in homogenate of caudate putamen tissue from rat brain
50035051	1	ChEBML_45239	Inhibition of human carbonic anhydrase II (hCA II)
50035051	2	ChEBML_45432	Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes
50035051	3	ChEBML_44856	Inhibition of human carbonic anhydrase I (CAI)
50049209	21	ChEMBL_1660362 (CHEMBL4009974)	Activity at DAT (unknown origin) assessed as release of [3H]DA
50049209	2	ChEMBL_1660342 (CHEMBL4009954)	Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat cortex membranes measured after 15 mins
50049209	3	ChEMBL_1660343 (CHEMBL4009955)	Displacement of [3H]DOB from 5HT2A in Sprague-Dawley rat cortex membranes measured after 15 mins by scintillation counting method
50049209	4	ChEBML_1660344	Displacement of [125I]DOI from recombinant human 5HT2A expressed in Syrian hamster AV12 cell membranes
50035054	1	ChEBML_31141	Compound was tested for inhibition of Adenosine transporter P2 type by using [2-3H]adenosine as radioligand in Trypanosoma equiperdum
50035056	1	ChEBML_201988	Compound was tested for its ability to inhibit high affinity uptake of [3H]5-HT into mid brain nerve endings (synaptosomes) in rat
50035056	3	ChEMBL_62319 (CHEMBL674258)	Binding affinity to a single, sodium-dependent site on the Dopamine transporter in rat striatal membranes
50035056	4	ChEBML_143117	Compound was tested for its ability to inhibit high-affinity uptake of [3H]NE into parietal and occipital cortex in rat
50049209	5	ChEBML_1660343	Displacement of [3H]DOB from 5HT2A in Sprague-Dawley rat cortex membranes measured after 15 mins by scintillation counting method
50049209	6	ChEBML_1660354	Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method
50049210	1	ChEMBL_1661177 (CHEMBL4010789)	Inhibition of recombinant TACE catalytic domain (unknown origin) using Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by FRET assay
50049210	16	ChEMBL_1661178 (CHEMBL4010790)	Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulation for 4 hrs by ELISA
50049210	2	ChEMBL_1661174 (CHEMBL4010786)	Inhibition of TACE in human PBMC assessed as inhibition of LPS-stimulated TNFalpha production
50035058	1	ChEBML_53371	In vitro inhibition of Dipeptidylpeptidase IV from Caco-2 (human colon carcinoma) cells.
50035059	1	ChEBML_201983	Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex
50035060	2	ChEBML_197814	Compound was evaluated for its inhibitory activity against Serine protease chymotrypsin
50035060	3	ChEBML_48993	Compound was evaluated for its inhibitory activity against Coagulation factor X
50035060	4	ChEBML_213072	Compound was evaluated for its inhibitory activity against Trypsin
50035060	5	ChEBML_92391	Compound was evaluated for its inhibitory activity against kallikrein
50035060	6	ChEBML_155423	Compound was evaluated for its inhibitory activity against plasmin
50049210	3	ChEBML_1661173	Inhibition of porcine spleen TACE using Mca-Pro-LeuAla-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Agr-NH2 as substrate by fluorescence assay
50035062	4	ChEBML_202137	Inhibition of [3H]-5-HT binding to serotonin transporter of rat brain synaptosomes
50049210	15	ChEMBL_1661165 (CHEMBL4010777)	Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for 24 hrs by HTRF assay
50049210	5	ChEMBL_1661175 (CHEMBL4010787)	Inhibition of TACE (unknown origin)
50049210	4	ChEBML_1661178	Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulation for 4 hrs by ELISA
50035063	1	ChEBML_161763	Inhibitory activity against recombinant Protein phosphatase 1
50035063	2	ChEBML_208630	Inhibition of topoisomerase IIin vitro through a novel, non-DNA-strandcleaving mechanism
50035063	3	ChEBML_161773	Inhibitory activity against partially purified (chicken skeletal muscle) Protein phosphatase 2A
50035065	1	ChEBML_90142	Binding affinity of compound was determined against Ionotropic glutamate receptor AMPA 1 using cell membranes prepared from HEK293 cells
50035065	2	ChEBML_90598	Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 3 using cell membranes prepared from HEK293 cells
50035065	3	ChEBML_90302	Binding affinity of compound was determined against Ionotropic glutamate receptor AMPA 4 using cell membranes prepared from HEK293 cells
50035065	4	ChEBML_71997	Binding affinity of compound was determined against KA2 using cell membranes prepared from HEK293 cells
50035065	6	ChEBML_90153	Binding affinity of compound was determined against Ionotropic glutamate receptor AMPA 2 using cell membranes prepared from HEK293 cells
50035065	9	ChEMBL_90445 (CHEMBL698077)	Binding affinity of compound was determined against Ionotropic glutamate receptor ionotropic kainate 1 using cell membranes prepared from HEK293 cells
50035065	10	ChEMBL_71997 (CHEMBL685950)	Binding affinity of compound was determined against KA2 using cell membranes prepared from HEK293 cells
50035065	11	ChEBML_54695	Compound was tested for agonistic activity on rat dorsal root ganglion neurons (thought to express GluR5 receptors)
50035065	12	ChEBML_71992	Compound was tested for agonistic activity at Glutamate receptor 6 using HEK293 cells
50049210	17	ChEMBL_1661173 (CHEMBL4010785)	Inhibition of porcine spleen TACE using Mca-Pro-LeuAla-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Agr-NH2 as substrate by fluorescence assay
50035066	1	ChEBML_211026	Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined
50035068	1	ChEBML_36050	Inhibitory activity against cognate Staphylococcus aureus Arginyl-tRNA synthetase
50035068	2	ChEBML_87383	Inhibitory activity against cognate Staphylococcus aureus Histidyl-tRNA synthetase
50035068	3	ChEBML_210571	Inhibitory activity against cognate Staphylococcus aureus threonyl tRNA synthetase
50035069	1	ChEBML_90572	Inhibitory activity against HIV-1 integrase
50035070	1	ChEBML_34345	Displacement of [125I]HEAT from human Alpha-1B adrenergic receptor stably expressed in LM cells
50035070	2	ChEBML_33731	Displacement of [125I]HEAT from human Alpha-1A adrenergic receptor stably expressed in CHO cells
50035070	3	ChEBML_32445	Displacement of [125I]HEAT from human Alpha-1D adrenergic receptor stably expressed in HL cells
50049210	11	ChEMBL_1661162 (CHEMBL4010774)	Inhibition of MMP12 (unknown origin)
50049210	18	ChEMBL_1661157 (CHEMBL4010769)	Inhibition of recombinant human TACE catalytic domain using Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate after 2 hrs by fluorescence assay
50049210	12	ChEMBL_1661161 (CHEMBL4010773)	Inhibition of MMP9 (unknown origin)
50035072	1	ChEBML_210862	Binding affinity for Human pp60c-src SH2 domain
50035074	5	ChEMBL_160626 (CHEMBL768282)	Binding affinity for Protein kinase C beta C1a domain
50035074	6	ChEMBL_161449 (CHEMBL771057)	Binding affinity for Protein kinase C theta C1b domain
50035074	10	ChEBML_161105	Binding affinity for Protein kinase C epsilon C1a domain
50035074	2	ChEBML_160633	Displacement of [3H]- PDBu from Protein kinase C beta C1b domain
50035074	23	ChEMBL_161293 (CHEMBL772101)	Binding affinity for Protein kinase C gamma C1a domain
50035074	24	ChEBML_161446	Binding affinity for Protein kinase C theta C1a domain
50035076	1	ChEBML_40417	Inhibitory activity against class C Beta-lactamase isolated from Enterobacter cloacae
50035076	2	ChEBML_41358	Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli
50035077	1	ChEBML_105879	Effect of compound on Metabotropic glutamate receptor 1 expressed in HEK 293 cells was determined by measuring IP production relative to glutamate
50049210	9	ChEMBL_1661164 (CHEMBL4010776)	Inhibition of ADAM10 (unknown origin)
50035078	1	ChEMBL_67352 (CHEMBL676807)	Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha
50035078	2	ChEBML_67812	Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta
50049210	7	ChEMBL_1661172 (CHEMBL4010784)	Inhibition of TACE in human PBMC assessed as inhibition of TNFalpha production
50049210	10	ChEMBL_1661163 (CHEMBL4010775)	Inhibition of ADAM9 (unknown origin)
50049210	13	ChEMBL_1661160 (CHEMBL4010772)	Inhibition of MMP3 (unknown origin)
50035082	1	ChEBML_195837	The compound was evaluated for the inhibition of HIV-1 reverse transcriptase
50035084	1	ChEBML_143624	Compound was evaluated for its binding affinity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep)
50035084	4	ChEMBL_63636 (CHEMBL675347)	Compound was evaluated for its inhibitory activity against human leukocyte elastase (HLE)
50035084	5	ChEBML_154796	Compound was evaluated for its inhibitory activity against porcine pancreatic elastase (PPE)
50035084	6	ChEBML_63636	Compound was evaluated for its inhibitory activity against human leukocyte elastase (HLE)
50035084	7	ChEBML_44953	Compound was evaluated for its inhibitory activity against cathepsin B
50035085	1	ChEBML_143467	Inhibitory concentration required against NS3 Protease of Hepatitis C Virus
50035087	1	ChEBML_211803	The compound was evaluated for inhibition of trypanothione reductase enzyme
50035087	2	ChEBML_72596	The compound was evaluated for inhibition of human Glutathione reductase
50035089	1	ChEMBL_68325 (CHEMBL680696)	Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 1
50035089	2	ChEMBL_68327 (CHEMBL680698)	Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 2
50035089	3	ChEMBL_68329 (CHEMBL680700)	Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 3
50035090	3	ChEBML_72303	The compound was evaluated for inhibition of Glutaminyl-tRNA synthetase for Escherichia coli with respect to ATP.
50049210	14	ChEMBL_1661159 (CHEMBL4010771)	Inhibition of recombinant human MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 10 mins by fluorescence assay
50049211	1	ChEMBL_1661200 (CHEMBL4010812)	Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo 4-AM dye based assay
50035092	1	ChEBML_149003	Compound was evaluated for its ability to displace [3H]DAMGO in C6 glioma cells expressing the cloned Opioid receptor mu 1
50035092	2	ChEBML_147047	Compound was evaluated for its ability to displace [3H]p-CI-DPDPE in C6 glioma cells expressing the cloned Opioid receptor delta 1
50035092	3	ChEBML_145823	Compound was evaluated for its ability to displace [3H]U-69593 in CHO cells expressing the cloned Opioid receptor kappa 1
50035093	2	ChEBML_1236	The compound was evaluated for the ability to displace [3H]- 8-OH -DPAT from 5-hydroxytryptamine 1A receptor ( striata of male wistar rats)
50035095	1	ChEBML_201944	Compound was evaluated for its inhibitory activity against recombinant rat SE(squalene epoxidase)
50049211	2	ChEMBL_1661181 (CHEMBL4010793)	Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells by luciferase reporter gene assay
50049211	3	ChEMBL_1661180 (CHEMBL4010792)	Agonist activity at human GPR120 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo 4-AM dye based assay
50035097	1	ChEBML_49032	The compound was tested for its inhibitory activity against Cell division cycle 25B
50049212	1	ChEMBL_1661204 (CHEMBL4010816)	Inhibition of sEH (unknown origin) using PHOME as substrate after 40 mins by fluorescence photometric method
50049213	1	ChEBML_1661208	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by Ellmans method
50049214	1	ChEBML_1659333	Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins
50049214	2	ChEMBL_1659334 (CHEMBL4008946)	Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate after 60 mins
50049214	3	ChEBML_1659334	Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate after 60 mins
50035099	2	ChEBML_148679	Concentration required for inhibition of [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes
50049209	17	ChEMBL_1660366 (CHEMBL4009978)	Binding affinity to 5-HT1A receptor (unknown origin)
50049209	7	ChEMBL_1660350 (CHEMBL4009962)	Displacement of [125I]DOI from rat cortex 5HT2A after 1 hr by beta scintillation counting method
50049209	16	ChEMBL_1660369 (CHEMBL4009981)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50049209	19	ChEMBL_1660364 (CHEMBL4009976)	Inhibition of DAT in Sprague-Dawley rat synaptosomes assessed as reduction in [3H]dopamine uptake by liquid scintillation counting method
50049209	20	ChEMBL_1660365 (CHEMBL4009977)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes
50049209	24	ChEMBL_1660354 (CHEMBL4009966)	Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method
50035100	1	ChEBML_89175	Inhibition against induced Nitric Oxide Synthase(iNOS)
50035100	3	ChEBML_64987	Inhibition against endothelial Nitric Oxide Synthase(eNOS)
50049209	12	ChEMBL_1660380 (CHEMBL4009992)	Binding affinity to alpha-2A receptor (unknown origin)
50035101	1	ChEBML_104386	50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2
50035101	2	ChEBML_105985	50 percent inhibition of human Matrix metalloprotease-1 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2
50035101	3	ChEBML_106604	50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2
50049209	22	ChEMBL_1660348 (CHEMBL4009960)	Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting method
50035102	1	ChEBML_144000	Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells
50035103	1	ChEBML_217655	Inhibition of cRaf1 kinase in cascade assay
50049209	15	ChEMBL_1660368 (CHEMBL4009980)	Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by scintillation spectrometric method
50035104	1	ChEBML_160979	Concentration required for 50 percent inhibition of Prothrombin
50049209	23	ChEMBL_1660349 (CHEMBL4009961)	Displacement of [125I](+/-)DOI from rat 5HT2A after 1 hr by beta scintillation counting method
50035105	1	ChEBML_223410	Inhibition of asparagine-linked glycosylation by oligosaccharyl transferase
50035106	2	ChEBML_210688	The compound was tested for inhibition of [3H]-5-hydroxy tryptamine uptake in HEK cells by expressing cDNA for human tryptamine transporter
50035106	1	ChEBML_142803	The compound was tested for inhibition of [3H]norepinephrine uptake in HEK cells by expressing cDNA for human norepinephrine transporter
50035106	3	ChEBML_61514	Inhibition of [3H]dopamine uptake in HEK cells expressing human Dopamine transporter
50049209	11	ChEMBL_1660361 (CHEMBL4009973)	Activity at SERT (unknown origin) assessed as release of [3H]HT
50035107	1	ChEBML_49331	Inhibition of coagulation factor Xa
50035107	2	ChEBML_208921	Inhibitory activity against thrombin
50035107	3	ChEBML_213207	Inhibitory activity against trypsin
50035108	1	ChEBML_154201	Peroxisome proliferator activated receptor gamma agonistic activity in HepG2 cells.
50049209	8	ChEMBL_1660355 (CHEMBL4009967)	Activity at DAT in rat synaptosomes assessed as release of [3H]DA after 5 mins by liquid scintillation counting method
50049209	18	ChEMBL_1660345 (CHEMBL4009957)	Displacement of [3H]DOI-HCL from 5HT2A in Sprague-Dawley rat frontal cortex membranes measured after 20 mins
50049209	9	ChEMBL_1660377 (CHEMBL4009989)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat cortex membranes after 15 mins by liquid scintillation spectrometric method
50035110	2	ChEMBL_29759 (CHEMBL636664)	Agonistic activity against Adenosine A1 receptor on rat whole-brain membranes
50035110	3	ChEBML_31973	In vitro inhibition of human neutrophil activation via Adenosine A2A receptor.
50035110	4	ChEBML_29759	Agonistic activity against Adenosine A1 receptor on rat whole-brain membranes
50035110	5	ChEMBL_30145 (CHEMBL640592)	Agonistic activity against Adenosine A2A receptor on rat striatal membranes
50035110	6	ChEBML_30146	Agonistic activity against Adenosine A2A receptor on rat striatal membranes
50035111	1	ChEBML_213101	Tested for the binding affinity against dehydroquinase
50049209	13	ChEMBL_1660381 (CHEMBL4009993)	Binding affinity to alpha-2B receptor (unknown origin)
50035112	3	ChEBML_36129	Cross-reactivity as binding to human androgen receptor (hAR)
50049209	14	ChEMBL_1660346 (CHEMBL4009958)	Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat frontal cortex membranes measured after 20 mins
50035112	6	ChEBML_71387	Cross-reactivity as binding to human glucocorticoid receptor (hGR)
50049209	25	ChEMBL_1660344 (CHEMBL4009956)	Displacement of [125I]DOI from recombinant human 5HT2A expressed in Syrian hamster AV12 cell membranes
50049209	10	ChEMBL_1660382 (CHEMBL4009994)	Binding affinity to alpha-2C receptor (unknown origin)
50035112	11	ChEBML_123513	Cross-reactivity as binding to human mineralocorticoid receptor (hMR)
50035112	12	ChEMBL_159527 (CHEMBL767560)	Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line
50049209	26	ChEMBL_1660353 (CHEMBL4009965)	Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat frontal cortex membranes measured after 15 mins by scintillation counting method
50035112	14	ChEMBL_36130 (CHEMBL649562)	Cross-reactivity as binding to human androgen receptor (hAR)
50049209	27	ChEMBL_1660341 (CHEMBL4009953)	Agonist activity at rat N-terminal FLAG-tagged TAAR1 expressed in HEK293 cells assessed as [3H]cAMP accumulation measured after 1 hr
50049215	1	ChEMBL_1660397 (CHEMBL4010009)	Binding affinity to fluorescently labeled STAT3 (unknown origin) by MST-analysis
50049215	2	ChEMBL_1660394 (CHEMBL4010006)	Displacement of 5-FAM-SpYLPQTV from STAT3 (unknown origin) at pY705 site after 30 mins by fluorescence polarization assay
50049216	1	ChEMBL_1660538 (CHEMBL4010150)	Inhibition of wild type human recombinant LRRK2 expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by TR-FRET assay
50049216	2	ChEMBL_1660520 (CHEMBL4010132)	Inhibition of human CYP3A4
50049216	3	ChEMBL_1660519 (CHEMBL4010131)	Inhibition of human CYP2C9
50049216	4	ChEMBL_1660518 (CHEMBL4010130)	Inhibition of human CYP2D6
50049217	27	ChEMBL_1660561 (CHEMBL4010173)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoA after 10 mins by BRET assay
50049217	47	ChEMBL_1660547 (CHEMBL4010159)	Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay
50049217	35	ChEMBL_1660567 (CHEMBL4010179)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of renilla luciferase 2-tagged beta-arrestin-2 recruitment after 15 mins by BRET assay
50035113	1	ChEBML_162443	Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B )
50035113	2	ChEBML_214525	Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR
50035114	1	ChEBML_51149	Inhibition of Cyclin-dependent kinase 4 (CDK4/cyclin Dl)
50035114	2	ChEBML_50649	Inhibition of Cyclin-dependent kinase 2 (CDK2/cyclin A)
50035115	1	ChEBML_146695	Binding affinity against Opioid receptor mu 1 of calf cortex using [3H]U-69593 as radioligand
50035115	2	ChEBML_145386	Binding affinity against Opioid receptor kappa 1 of calf cortex using [3H]-U-69,593 as radioligand
50049214	13	ChEMBL_1659333 (CHEMBL4008945)	Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins
50049214	6	ChEMBL_1659347 (CHEMBL4008959)	Negative allosteric modulation of mGluR5 in E17 Sprague-Dawley rat primary neuronal cultures assessed as reduction of DHPG-induced cytosolic Ca2+ influx after 10 to 20 mins by fluo-4/AM-dye based fluorometric analysis
50049214	14	ChEMBL_1659338 (CHEMBL4008950)	Negative allosteric modulation of human mGluR5a expressed in CHO cells assessed as reduction in DHPG-induced cytosolic Ca2+ influx after 10 to 20 mins by fluo-4/AM-dye based fluorometric analysis
50035116	1	ChEMBL_148285 (CHEMBL750200)	Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone
50035116	2	ChEBML_148285	Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone
50035117	1	ChEBML_64983	Concentration required for inhibition of endothelial Nitric Oxide Synthase in human
50035117	2	ChEBML_144065	Concentration required for inhibition of neuronal Nitric Oxide Synthase in human
50035117	3	ChEBML_89185	Inhibition of human inducible nitric oxide synthase
50035117	4	ChEMBL_144065 (CHEMBL752095)	Concentration required for inhibition of neuronal Nitric Oxide Synthase in human
50035117	5	ChEMBL_64983 (CHEMBL675568)	Concentration required for inhibition of endothelial Nitric Oxide Synthase in human
50035118	1	ChEBML_33064	Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand
50049214	5	ChEMBL_1659357 (CHEMBL4008969)	Inhibition of CYP3A4 in human liver microsomes
50049214	11	ChEMBL_1659356 (CHEMBL4008968)	Inhibition of CYP2D6 in human liver microsomes
50049214	7	ChEMBL_1659415 (CHEMBL4009027)	Displacement of [3H]R21412 from from in Sprague-Dawley rat cerebrocortical membranes
50035119	1	ChEBML_45274	Inhibition of bovine Carbonic anhydrase IV determined by esterase method
50035119	2	ChEBML_45063	Inhibition of human cloned Carbonic anhydrase II
50035119	3	ChEBML_47507	Inhibition of human cloned Carbonic anhydrase I
50035120	1	ChEBML_149009	Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the cDNAs for rat Opioid receptor mu 1
50035120	2	ChEBML_145705	Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the cDNAs for rat Opioid receptor kappa 1
50035120	3	ChEBML_147055	Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane from baby hamster kidney cells infected with forest virus encoding the cDNAs for rat Opioid receptor delta 1
50035120	4	ChEBML_146124	Compound was tested for inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1
50049214	8	ChEMBL_1659354 (CHEMBL4008966)	Inhibition of CYP1A2 in human liver microsomes
50035120	6	ChEMBL_148832 (CHEMBL753950)	Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the cDNAs for rat Opioid receptor mu 1
50035120	7	ChEMBL_145705 (CHEMBL753913)	Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the cDNAs for rat Opioid receptor kappa 1
50035121	1	ChEBML_157940	Compound was evaluated for its concentration required to inhibit the porcine kidney F16BPase
50035121	2	ChEBML_86713	Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.
50035121	3	ChEBML_192347	Compound was evaluated for its concentration required to inhibit the rat liver F16BPase
50049214	12	ChEMBL_1659416 (CHEMBL4009028)	Displacement of [3H]R21412 from recombinant human mGluR5a expressed in human A18 cell membrane homogenate
50049214	9	ChEMBL_1659355 (CHEMBL4008967)	Inhibition of CYP2C9 in human liver microsomes
50049214	4	ChEMBL_1659368 (CHEMBL4008980)	Displacement of [3H]R21412 from mGluR5 in female human post mortem parietal cortical tissue after 30 mins by scintillation counting method
50049214	10	ChEMBL_1659367 (CHEMBL4008979)	Displacement of [3H]R21412 from mGluR5 in male human post mortem parietal cortical tissue after 30 mins by scintillation counting method
50049218	1	ChEBML_1659452	Displacement of [3H] 7-OH DPAT from recombinant rat dopamine D3 receptor expressed in CHO cells after 60 mins
50049218	2	ChEBML_1659425	Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins
50049218	3	ChEBML_1659435	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50049218	28	ChEMBL_1659425 (CHEMBL4009037)	Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins
50049218	29	ChEMBL_1659435 (CHEMBL4009047)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035123	1	ChEBML_39039	In vitro inhibitory activity against Beta glucan synthase
50035124	1	ChEBML_53736	Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)
50035124	2	ChEBML_208210	Inhibitory concentration against mitochondrial thymidine kinase (TK-2)
50035124	4	ChEBML_208209	Inhibitory concentration against cytosolic thymidine kinase (TK-1)
50035124	5	ChEBML_208206	Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)
50049218	27	ChEMBL_1659451 (CHEMBL4009063)	Inhibition of recombinant human adrenergic alpha 2C receptor expressed in CHO cells assessed as inhibition of 5-HT stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50049218	17	ChEMBL_1659500 (CHEMBL4009112)	Antagonist activity at 5-HT6 receptor (unknown origin)
50049218	19	ChEMBL_1659464 (CHEMBL4009076)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50049218	18	ChEMBL_1659474 (CHEMBL4009086)	Inhibition of CYP2E1 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035125	2	ChEBML_28842	Ability to displace specific radioligand [3H]R-PIA binding at Adenosine A1 receptor in rat brain membrane
50035125	3	ChEMBL_32147 (CHEMBL646357)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane
50035125	4	ChEMBL_31697 (CHEMBL645778)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells
50035125	5	ChEBML_32147	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane
50035125	6	ChEMBL_31698 (CHEMBL645779)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells expressed as Ki
50035125	8	ChEMBL_27416 (CHEMBL646661)	Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, at human A1 adenosine receptor
50035125	9	ChEBML_31347	Displacement of [3H]-CGS- 21680 from A2A receptor in human brain membrane
50049218	22	ChEMBL_1659470 (CHEMBL4009082)	Inhibition of CYP2A6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035125	10	ChEMBL_31700 (CHEMBL645781)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells in absence of adenosine deaminase
50035125	11	ChEBML_27417	Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, at human Adenosine A1 receptor
50035126	1	ChEBML_72766	In vitro glycine reuptake inhibitory activity against glycine transporter type-1 isoform C (GlyT-1c) transporter cells after incubation at 30 degrees for 30 min in presence of 50 nM [3H]glycine.
50035126	2	ChEBML_72767	In vitro glycine reuptake inhibitory activity against glycine transporter type-2 (GlyT-2) transporter cells after incubation at 30 degrees for 30 min in presence of 50 nM [3H]glycine.
50035128	1	ChEBML_105212	Inhibition of Matrix metalloprotease-8
50035128	2	ChEBML_104559	Inhibition of Matrix metalloprotease-2
50035128	3	ChEBML_104899	Inhibition of Matrix metalloprotease-3
50035128	4	ChEBML_106309	Inhibition of Matrix metalloprotease-1
50035128	5	ChEBML_105531	Inhibition of Matrix metalloprotease-9
50035129	1	ChEMBL_105715 (CHEMBL719082)	Agonist activity in rat at mGlu1a receptor expressed in HEK293 cells
50049218	20	ChEMBL_1659465 (CHEMBL4009077)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis
50035129	3	ChEMBL_104623 (CHEMBL715571)	Agonist activity in rat at mGlu8a receptor expressed in HEK293 cells
50049218	16	ChEMBL_1659434 (CHEMBL4009046)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50035130	1	ChEBML_152560	Inhibitory constant against bovine phenylethanolamine N-methyl-transferase
50035130	2	ChEBML_152574	Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli
50035133	1	ChEBML_159818	Inhibitory concentration against purified recombinant human poly (ADP-ribose) polymerase-1 (PARP1)
50035133	2	ChEMBL_159818 (CHEMBL762473)	Inhibitory concentration against purified recombinant human poly (ADP-ribose) polymerase-1 (PARP1)
50035134	1	ChEMBL_749 (CHEMBL884527)	Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates
50035134	2	ChEBML_749	Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates
50049218	26	ChEMBL_1659473 (CHEMBL4009085)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035136	1	ChEBML_149137	Inhibition of binding of [3H]DAMGO to opioid receptor mu 1 from rat brain membrane.
50035136	2	ChEBML_147175	Inhibition of binding of [3H]-DPDPE to opioid receptor delta 1 from rat brain membrane.
50049218	21	ChEMBL_1659466 (CHEMBL4009078)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035137	4	ChEMBL_45271 (CHEMBL658223)	Compound was evaluated for binding affinity against bovine Carbonic anhydrase IV
50035137	5	ChEMBL_47505 (CHEMBL662730)	Compound was evaluated for binding affinity against human carbonic anhydrase II (hCA -II)
50035137	6	ChEMBL_45058 (CHEMBL658055)	Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)
50035138	3	ChEBML_69264	Inhibitory activity against fucosyltransferase (FucT V) in the presence of 10 mM fucosyl acceptor N-acetyllactosamine
50035139	4	ChEBML_67502	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha
50049218	24	ChEMBL_1659472 (CHEMBL4009084)	Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035139	2	ChEBML_67827	Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta
50049218	25	ChEMBL_1659450 (CHEMBL4009062)	Displacement of [3H] MK-912 from human adrenergic alpha 2A receptor expressed in HT29 cells after 60 mins
50035141	1	ChEBML_66299	Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells
50035143	1	ChEBML_106391	Effective concentration required for agonistic activity at Metabotropic glutamate receptor 3
50035143	2	ChEMBL_106391 (CHEMBL717246)	Effective concentration required for agonistic activity at Metabotropic glutamate receptor 3
50049218	23	ChEMBL_1659471 (CHEMBL4009083)	Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50035143	4	ChEMBL_106394 (CHEMBL717249)	Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 3; Partial agonist
50035143	6	ChEBML_104460	Effective concentration required for agonistic activity at Metabotropic glutamate receptor 6
50035143	7	ChEMBL_104462 (CHEMBL713649)	Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 6; Partial agonist
50049219	1	ChEMBL_1659516 (CHEMBL4009128)	Substrate activity at CPR in human L02 cells assessed as CPR-mediated one-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049219	2	ChEMBL_1659527 (CHEMBL4009139)	Substrate activity at NQO1 in human A549 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049219	3	ChEMBL_1659521 (CHEMBL4009133)	Substrate activity at NQO1 in human H1299 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049219	4	ChEMBL_1659522 (CHEMBL4009134)	Substrate activity at NQO1 in human H522 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049219	5	ChEMBL_1659510 (CHEMBL4009122)	Substrate activity at NQO1 in human H1650 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50035144	1	ChEBML_30176	[3H]NECA saturation binding in CHO cells expressing human Adenosine A3 receptor
50035144	2	ChEBML_27713	Displacement of [3H]-CCPA from CHO cells expressing human recombinant Adenosine A1 receptor
50035144	3	ChEBML_30292	Receptor stimulated adenylyl cyclase activity in CHO cells expressing human recombinant Adenosine A2B receptor
50035144	4	ChEBML_31975	[3H]NECA saturation binding in CHO cells expressing human recombinant A2A adenosine receptor
50035145	1	ChEBML_208175	Binding affinity determined against thrombin by Dixon method
50035145	2	ChEBML_212373	Binding affinity determined against trypsin by Dixon method
50049219	6	ChEMBL_1659519 (CHEMBL4009131)	Substrate activity at NQO1 in human HepG2 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049219	7	ChEMBL_1659520 (CHEMBL4009132)	Substrate activity at NQO1 in human HCT116 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50035147	6	ChEBML_144978	Evaluated for ability to inhibit high affinity uptake of [3H]-NE using rat nerve endings obtained from brain regions enriched in Norepinephrine transporter
50049219	8	ChEMBL_1659518 (CHEMBL4009130)	Substrate activity at NQO1 in human MCF7 cells assessed as NQO1-mediated two-electron reduction of compound by measuring cell growth inhibition treated for 24 hrs measured after 72 hrs by MTT assay
50049220	1	ChEBML_1659529	Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting
50049220	2	ChEBML_1659530	Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting
50035147	9	ChEMBL_144979 (CHEMBL754321)	Evaluated for its ability to inhibit high affinity uptake of [3H]NE using rat nerve endings obtained from brain regions enriched in norepinephrine transporter (NET)
50035147	10	ChEMBL_144978 (CHEMBL753710)	Evaluated for ability to inhibit high affinity uptake of [3H]-NE using rat nerve endings obtained from brain regions enriched in Norepinephrine transporter
50035147	12	ChEMBL_201645 (CHEMBL806546)	Evaluated for ability to inhibit high affinity uptake of [3H]5-HT using rat nerve endings obtained from brain regions enriched in serotonin transporter (5HTT)
50049220	3	ChEBML_1659535	Displacement of [3H]-(+)-pentazocine from sigma1-type opioid receptor in guinea pig cortex membranes after 120 mins by solid scintillation counting
50035147	13	ChEMBL_201646 (CHEMBL806547)	Evaluated for its ability to inhibit high affinity uptake of [3H]-5-HT using rat nerve endings obtained from brain regions enriched in serotonin transporter (5HTT)
50049220	4	ChEMBL_1659540 (CHEMBL4009152)	Agonist activity at recombinant human kappa-type opioid receptor expressed in HEK293 cells after 30 mins by [35S]GTPgammaS binding assay
50049220	5	ChEMBL_1659529 (CHEMBL4009141)	Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting
50035148	1	ChEBML_158894	The compound was evaluated for its inhibitory effect against Procollagen C-terminal proteinase
50035148	2	ChEMBL_158894 (CHEMBL871973)	The compound was evaluated for its inhibitory effect against Procollagen C-terminal proteinase
50035149	1	ChEBML_207330	In vitro inhibition of TNF-alpha converting enzyme (TACE)
50035149	2	ChEBML_106310	In vitro inhibition of Matrix metalloprotease-1
50035149	3	ChEBML_105532	In vitro ability to inhibit matrix metalloprotease-9.
50035149	4	ChEBML_106636	Inhibition of matrix metalloprotease-13
50035150	1	ChEBML_61842	Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue
50035151	1	ChEBML_205216	Inhibitory activity against 5-alpha-reductase type 1 in cell culture system using LNCaP cells (androgen-sensitive human prostatic cancer cell line)
50035152	1	ChEBML_80127	Inhibitory activity against HIV-1 protease
50049220	6	ChEMBL_1659530 (CHEMBL4009142)	Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting
50035153	8	ChEBML_37300	Inhibitory activity towards Beta-galactosidase from Jack bean
50035153	10	ChEMBL_37294 (CHEMBL655206)	Inhibitory activity towards Beta-galactosidase from Bovine liver
50049221	1	ChEBML_1659615	Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis
50049221	4	ChEMBL_1659615 (CHEMBL4009227)	Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis
50049221	2	ChEMBL_1659614 (CHEMBL4009226)	Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p-NA preincubated for 10 mins followed by substrate addition measured after 10 mins
50049221	3	ChEMBL_1659686 (CHEMBL4009298)	Inhibition of LTA4H in C57BL/6 mouse assessed as reduction in LTB4 production pre-incubated for 30 mins before 5-(methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid stimulation for 30 mins by ELISA
50035153	21	ChEBML_37286	Inhibitory activity towards Beta-galactosidase from Bovine liver
50049222	1	ChEMBL_1659697 (CHEMBL4009309)	Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured on day 11 post last treatment by flow cytometry
50035154	1	ChEBML_68020	Inhibition of estrone sulfatase (ES)
50049222	2	ChEMBL_1659718 (CHEMBL4009330)	Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of T effector cells mediated K562 cell lysis preincubated with K562 cells for 2 hrs followed by T effector cell addition measured after 4 hrs
50049222	3	ChEMBL_1659701 (CHEMBL4009313)	Binding affinity to recombinant C-terminal His-tagged BTN3A1 intracellular domain (unknown origin) expressed in BL21(DE) by isothermal titration calorimetry
50049223	1	ChEMBL_1659727 (CHEMBL4009339)	Inhibition of full length recombinant human ALDH1A2 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
50049223	2	ChEMBL_1659729 (CHEMBL4009341)	Inhibition of full length recombinant human ALDH1A3 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
50049223	3	ChEMBL_1659723 (CHEMBL4009335)	Inhibition of full length recombinant human ALDH1B1 expressed in Escherichia coli TunerDE3 assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
50049223	4	ChEMBL_1659722 (CHEMBL4009334)	Inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
50049223	5	ChEMBL_1659725 (CHEMBL4009337)	Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of propionaldehyde as substrate in presence of NAD+ by spectrophotometric method
50049223	6	ChEMBL_1659742 (CHEMBL4009354)	Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using propionaldehyde as substrate in presence of varying levels NAD+ by Lineweaver-Burk plot analysis
50049223	7	ChEMBL_1659745 (CHEMBL4009357)	Non-competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using varying levels of propionaldehyde as substrate in presence of NAD+ by Lineweaver-Burk plot analysis
50035155	15	ChEMBL_62300 (CHEMBL675222)	In vitro for its ability to displace [3H]- spiperone from cloned human Dopamine receptor D3 expressed in CHO cells; high binding affinity
50035155	19	ChEBML_1073	In vitro for its ability to displace [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in porcine brain homogenate
50049223	8	ChEMBL_1659731 (CHEMBL4009343)	Inhibition of full length recombinant human ALDH3A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level preincubated for 2 mins followed by addition of benzaldehyde as substrate in presence of NADP+ by spectrophotometric method
50049223	9	ChEMBL_1659744 (CHEMBL4009356)	Mixed-type non-competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using propionaldehyde as substrate in presence of varying levels NAD+ by Lineweaver-Burk plot analysis
50049223	10	ChEMBL_1659748 (CHEMBL4009360)	Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level using varying levels acetaldehyde in presence of NAD+ by Lineweaver-Burk plot analysis
50049223	11	ChEMBL_1659743 (CHEMBL4009355)	Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measuring NAD(P)H level using varying levels propionaldehyde in presence of NAD+ by Lineweaver-Burk plot analysis
50035156	4	ChEBML_34082	Inhibitory concentration against alpha-L-Fucosidase of human placenta
50049223	12	ChEMBL_1659738 (CHEMBL4009350)	Uncompetitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) using propionaldehyde as substrate in presence of varying levels NAD+ by Lineweaver-Burk plot analysis
50049224	1	ChEMBL_1659751 (CHEMBL4009363)	Inhibition of recombinant human C-terminal V5-His-tagged matriptase-2 expressed in Drosophila S2 cells using Boc-Gln-Ala-ArgAMC as substrate measured for 1200 mins by fluorescence assay
50035156	11	ChEMBL_33942 (CHEMBL649568)	Inhibitory activity against alpha-L-fucosidase of bacillus species (K40T) expressed as Ki
50049224	2	ChEMBL_1659752 (CHEMBL4009364)	Inhibition of recombinant human matriptase (596 to 855 residues) expressed in Escherichia coli using Boc-Gln-Ala-ArgAMC as substrate measured for 1200 mins by fluorescence assay
50035157	1	ChEBML_155616	Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through complex assay
50035157	2	ChEMBL_155616 (CHEMBL766351)	Tissue plasminogen activator generation in plasmin was evaluated by measuring the ability to inhibit Plasminogen activator inhibitor-1 through complex assay
50035158	2	ChEBML_27387	Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain
50035159	1	ChEBML_218969	Inhibitory activity against histone deacetylase (HDAC) from partially purified extracts of Eimeria tenella protozoal cells
50049225	1	ChEMBL_1659838 (CHEMBL4009450)	Negative allosteric modulation of eGFP-fused human GluN2A receptor expressed in HEK293T cells assessed as inhibition of NMDA-induced channel current at -60 mV holding potential measured for 5 secs every 60 secs in presence of glycine by whole cell patch clamp method
50049225	2	ChEMBL_1659836 (CHEMBL4009448)	Antagonist activity at rat GluN1A/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced channel current at -70 mV holding potential by two electrode voltage clamp method
50049226	1	ChEBML_1659860	Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50049226	2	ChEBML_1659862	Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence assay
50049226	3	ChEBML_1659863	Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
50035160	2	ChEBML_79059	Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa
50049226	4	ChEBML_1659864	Inhibition of human liver CYP2D6 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using EOMCC as substrate after 10 mins by fluorescence assay
50049226	5	ChEBML_1659865	Inhibition of human liver CYP2C9 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
50049213	4	ChEMBL_1661208 (CHEMBL4010820)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by Ellmans method
50049213	3	ChEMBL_1661209 (CHEMBL4010821)	Inhibition of butyrylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by Ellmans method
50049227	1	ChEMBL_1661218 (CHEMBL4010830)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP probe-based fluorescence assay
50049227	2	ChEMBL_1661220 (CHEMBL4010832)	Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP probe-based fluorescence assay
50049228	1	ChEMBL_1661305 (CHEMBL4010917)	Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay
50035162	1	ChEBML_199698	In vitro inhibitory activity against binding of Selectin E to human recombinant AGP (alpha-1 acid glycoprotein) containing sLex derivative
50049229	1	ChEMBL_1661324 (CHEMBL4010936)	Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP level after 40 mins by mass spectrometric method
50049229	2	ChEMBL_1661323 (CHEMBL4010935)	Agonist activity at TGR5 in STC1 cells derived from double transgenic mouse expressing rat insulin promoters linked to SV40 large T antigen and to polyomavirus small T antigen assessed as increase in cAMP level after 40 mins by mass spectrometric method
50049230	1	ChEMBL_1661378 (CHEMBL4010990)	Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis
50035165	1	ChEBML_195673	Tested for inhibitory concentration against HIV-1 non-nucleoside reverse transcriptase
50035166	4	ChEBML_60201	Binding affinity towards cloned human Dopamine receptor D2
50035167	1	ChEBML_105222	Inhibitory activity against Matrix metalloprotease-9
50035167	2	ChEBML_106467	Inhibitory activity against Matrix metalloprotease-13
50035167	3	ChEBML_105948	Inhibitory activity against Matrix metalloprotease-1
50035167	4	ChEBML_206021	Inhibition of TNF-alpha converting enzyme (TACE)
50035168	1	ChEBML_106638	Inhibition of Matrix metalloprotease-13
50035168	2	ChEMBL_106621 (CHEMBL717005)	Inhibition of Matrix metalloprotease-13
50035168	3	ChEBML_106281	Inhibition of Matrix metalloprotease-1
50035168	4	ChEMBL_105521 (CHEMBL715230)	Inhibition of Matrix metalloprotease-9
50035168	5	ChEBML_105505	Inhibition of Matrix metalloprotease-9
50035168	6	ChEBML_206142	Inhibition of TNF-alpha converting enzyme (TACE)
50035169	1	ChEMBL_220433 (CHEMBL842598)	In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10
50035169	4	ChEMBL_220432 (CHEMBL842597)	In vitro inhibitory activity in human whole blood (HWB) elastase
50049230	2	ChEMBL_1661377 (CHEMBL4010989)	Inhibition of human Cathepsin L
50035170	3	ChEBML_69909	Inhibitory concentration against Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (GAPDH)
50049231	1	ChEBML_1661463	Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system
50035171	1	ChEBML_104378	Inhibitory activity against human Matrix metalloprotease-2
50035171	4	ChEBML_105988	Inhibition of Matrix metalloprotease-1
50049231	2	ChEBML_1661450	Inhibition of TNFalpha-stimulated RIPK2 in human U937 cells in presence of 5 uM ATP
50049231	3	ChEBML_1661461	Inhibition of human full length N-terminal GST-tagged MNK2 expressed in baculovirus expression system
50049231	4	ChEMBL_1661462 (CHEMBL4011074)	Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculovirus expression system
50049231	5	ChEMBL_1661463 (CHEMBL4011075)	Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system
50049231	6	ChEBML_1661462	Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculovirus expression system
50049231	7	ChEMBL_1661441 (CHEMBL4011053)	Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using KHKKLAEGSAYEEV as substrate after 30 mins in presence of gamma-[32P]ATP by densitometry
50049226	20	ChEMBL_1659865 (CHEMBL4009477)	Inhibition of human liver CYP2C9 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
50049226	15	ChEMBL_1659866 (CHEMBL4009478)	Inhibition of human liver CYP2C19 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
50049226	7	ChEMBL_1659856 (CHEMBL4009468)	Inhibition of CYP1A1 in supersomes (unknown origin)
50049226	9	ChEMBL_1659848 (CHEMBL4009460)	Inhibition of human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence assay
50049226	21	ChEMBL_1659862 (CHEMBL4009474)	Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence assay
50049226	18	ChEMBL_1659850 (CHEMBL4009462)	Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.02 uM by MTT assay (Rvb = 61 +/- 8 uM)
50049226	17	ChEMBL_1659861 (CHEMBL4009473)	Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50049226	22	ChEMBL_1659860 (CHEMBL4009472)	Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50049226	23	ChEMBL_1659863 (CHEMBL4009475)	Inhibition of human liver CYP3A4 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using DBF as substrate after 10 mins by fluorescence assay
50049226	6	ChEMBL_1659849 (CHEMBL4009461)	Inhibition of human liver CYP1B1 expressed in HEK293 cells using CEC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence assay
50049226	13	ChEMBL_1659854 (CHEMBL4009466)	Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 cells using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50049226	14	ChEMBL_1659843 (CHEMBL4009455)	Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.016 uM by MTT assay (Rvb = 40 +/- 4.9 uM)
50049226	24	ChEMBL_1659864 (CHEMBL4009476)	Inhibition of human liver CYP2D6 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using EOMCC as substrate after 10 mins by fluorescence assay
50035174	1	ChEBML_80619	Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP
50035174	2	ChEBML_80617	Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP
50035175	1	ChEBML_209563	Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells
50035175	2	ChEBML_209035	Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells
50035175	3	ChEBML_205872	Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells
50035176	1	ChEBML_163037	Inhibitory concentration against raf kinase.
50049226	10	ChEMBL_1659852 (CHEMBL4009464)	Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.016 uM by MTT assay (Rvb = 61 +/- 8 uM)
50049226	16	ChEMBL_1659855 (CHEMBL4009467)	Inhibition of human CYP1B1 expressed in human AHH1 cells
50035178	1	ChEBML_145958	Displacement of [3H]U-69593 from Opioid receptor kappa 1
50035178	2	ChEBML_149316	Displacement of [3H]DAMGO from Opioid receptor mu 1
50035179	1	ChEBML_72640	Binding affinity against Guanine deaminase (guanase) from rabbit liver was determined
50035179	2	ChEBML_30789	Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined
50035180	1	ChEBML_161764	Inhibitory concentration against protein phosphatase 1 (PP1) was determined
50035180	2	ChEBML_161774	Inhibitory concentration against protein phosphatase 2A (PP2A) was determined
50035180	3	ChEBML_161768	Inhibitory concentration against protein phosphatase 1 was determined
50035180	4	ChEMBL_161775 (CHEMBL768149)	Inhibitory concentration against protein phosphatase 2A was determined
50035181	1	ChEBML_105530	In vitro inhibition of Matrix metalloprotease-9.
50035181	2	ChEBML_106308	In vitro inhibition of Matrix metalloprotease-1.
50035181	3	ChEBML_106645	Inhibition of Matrix metalloprotease-13
50035181	5	ChEMBL_206143 (CHEMBL814268)	Inhibition of Tumor necrosis factor-alpha Converting Enzyme (TACE)
50035181	6	ChEMBL_106645 (CHEMBL717029)	Inhibition of Matrix metalloprotease-13
50035181	7	ChEMBL_206144 (CHEMBL814269)	Inhibition of TNFalpha converting enzyme, TACE
50035181	8	ChEMBL_106307 (CHEMBL714562)	Inhibition of Matrix metalloprotease-1
50049226	8	ChEMBL_1659857 (CHEMBL4009469)	Inhibition of CYP1A2 in supersomes (unknown origin)
50035182	1	ChEBML_67983	Tested for the inhibitory activity against Estrone Sulfatase
50035183	1	ChEBML_31691	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells
50035183	2	ChEBML_27565	Affinity for Adenosine A1 receptor by displacement of [3H]DPCPX from human cerebral cortex
50035183	3	ChEBML_31348	Affinity for A2a receptor by displacement of [3H]-CGS- 21680 from human striatum
50035184	1	ChEBML_39052	Compound was evaluated for its binding affinity to CHO cells expressing the cloned human Beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol
50035184	2	ChEMBL_39052 (CHEMBL652053)	Compound was evaluated for its binding affinity to CHO cells expressing the cloned human Beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol
50035185	1	ChEBML_62015	Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat striatal synaptic membranes
50035186	1	ChEBML_201821	Binding affinity at Serotonin transporter using [3H]citalopram as radioligand from rat brain
50035186	2	ChEBML_62466	Binding affinity at Dopamine transporter by displacing [3H]WIN-35428 from rat caudate putamen
50035186	3	ChEBML_143108	Binding affinity at norepinephrine transporter using [3H]nisoxetine as radioligand from rat brain
50035187	1	ChEMBL_219669 (CHEMBL820339)	Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human mGluR2
50035187	3	ChEMBL_106397 (CHEMBL717252)	Compound was evaluated for the inhibition of binding of [3H]glutamate against rat recombinant Metabotropic glutamate receptor 3 expressed in HEK293 cells
50035187	4	ChEMBL_219670 (CHEMBL820340)	Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human mGluR2
50049226	19	ChEMBL_1659851 (CHEMBL4009463)	Inhibition of human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.018 uM by MTT assay (Rvb = 61 +/- 8 uM)
50049226	11	ChEMBL_1659841 (CHEMBL4009453)	Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.02 uM by MTT assay (Rvb = 40 +/- 4.9 uM)
50035187	6	ChEBML_219008	Compound was evaluated for the inhibition of binding of [3H]glutamate against rat recombinant mGluR3 receptors expressed in HEK293 cells
50035188	1	ChEBML_140633	Inhibition of the NNRTI HIV-1 enzyme by 50% using enzyme assay.
50035188	2	ChEBML_140632	Compound was evaluated for its ability to inhibit the NNRTI HIV-1 enzyme by 50% using enzyme assay
50035189	3	ChEBML_144033	In vitro Binding affinity towards alpha-7 nAChR was determined
50049226	12	ChEMBL_1659842 (CHEMBL4009454)	Inhibition of human CYP1B1 expressed in human A2780 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 0.018 uM by MTT assay (Rvb = 40 +/- 4.9 uM)
50049232	1	ChEBML_1659894	Inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression system using TK peptide substrate preincubated with enzyme for 30 mins followed by substrate addition measured after 25 mins by HTRF assay
50035189	5	ChEMBL_217792 (CHEMBL882443)	Effective concentration that causes inhibition of alpha-7 nAChR, was determined. Values are expressed as EC50 +/- SEM.
50049232	6	ChEMBL_1659894 (CHEMBL4009506)	Inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression system using TK peptide substrate preincubated with enzyme for 30 mins followed by substrate addition measured after 25 mins by HTRF assay
50049232	4	ChEMBL_1659921 (CHEMBL4009533)	Reversible inhibition of wild-type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 end amino acid residues) expressed in baculovirus expression system using TK peptide substrate preincubated for 2 to 90 mins followed by 6-fold dilution
50035190	1	ChEBML_60880	Inhibitory concentration of compound to block the binding of sLE Xto E-selectin
50049232	3	ChEMBL_1659897 (CHEMBL4009509)	Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell viability after 96 hrs by CellTiterGlo assay
50049232	2	ChEMBL_1659933 (CHEMBL4009545)	Inhibition of wild-type EGFR in human A431 cells assessed as reduction in EGF-induced Akt phosphorylation at S473 pre-incubated for 1 hr followed by EGF stimulation for 30 mins by Western blot analysis
50035192	1	ChEBML_219472	Inhibition of cloned isozyme, human carbonic anhydrase II
50035192	2	ChEBML_219473	Inhibition of cloned isozyme, human carbonic anhydrase IV
50035192	3	ChEBML_219471	Inhibition of cloned isozyme, human carbonic anhydrase I
50049232	5	ChEMBL_1659932 (CHEMBL4009544)	Inhibition of EGF-induced wild-type EGFR phosphorylation in human A431 cells pre-incubated for 1 hr followed by EGF stimulation for 30 mins by Western blot analysis
50035193	1	ChEMBL_164495 (CHEMBL771472)	Inhibitory activity against peptide binding to the RRE RNA was determined
50035193	2	ChEBML_164495	Inhibitory activity against peptide binding to the RRE RNA was determined
50035193	3	ChEBML_209906	Inhibition of Tat peptide binding to HIV-1 TAR RNA
50035193	6	ChEMBL_196789 (CHEMBL799732)	Dissociation constant was determined for Rev Response Element RNA IIB
50049233	1	ChEBML_1659964	Inhibition of Kv1.4 (unknown origin) expressed in HEK293 cells by whole cell patch clamp Qpatch method
50049233	2	ChEBML_1659963	Inhibition of Kv1.1 (unknown origin) expressed in HEK293 cells by whole cell patch clamp Qpatch method
50049217	42	ChEBML_1660547	Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay
50049217	40	ChEBML_1660540	Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis
50049217	41	ChEMBL_1660541 (CHEMBL4010153)	Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis
50049217	45	ChEBML_1660546	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
50049217	37	ChEMBL_1660556 (CHEMBL4010168)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai1 after 10 mins by BRET assay
50049217	38	ChEBML_1660542	Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
50049217	33	ChEMBL_1660544 (CHEMBL4010156)	Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis
50049217	46	ChEMBL_1660569 (CHEMBL4010181)	Agonist activity at ARMS2-PK2 tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin-2 recruitment incubated for 5 hrs measured after 60 mins by PathHunter assay
50049217	39	ChEMBL_1660565 (CHEMBL4010177)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of renilla luciferase 2-tagged beta-arrestin-1 recruitment after 15 mins by BRET assay
50049217	21	ChEMBL_1660545 (CHEMBL4010157)	Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis
50049217	36	ChEBML_1660549	Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay
50049217	43	ChEMBL_1660559 (CHEMBL4010171)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai3 after 10 mins by BRET assay
50035195	1	ChEBML_195511	Inhibitory activity against HIV-1 reverse transcriptase
50035196	1	ChEBML_200639	Inhibitory activity against influenza A sialidase (Aichi)
50035196	2	ChEBML_200653	Inhibitory activity against influenza B sialidase (Victoria)
50035197	1	ChEBML_48265	In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay
50035197	2	ChEBML_40436	In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay
50049217	1	ChEMBL_1660553 (CHEMBL4010165)	Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay
50049217	48	ChEMBL_1660563 (CHEMBL4010175)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoB after 10 mins by BRET assay
50049217	44	ChEMBL_1660549 (CHEMBL4010161)	Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins by [35S]GTPgammaS binding assay
50035197	5	ChEBML_208657	In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay
50035197	3	ChEBML_205410	In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay
50035198	1	ChEBML_200667	Inhibitory constant on human Somatostatin receptor type 1
50035198	2	ChEBML_200519	Inhibitory constant on human somatostatin receptor 4
50035198	3	ChEBML_200522	Agonist activity on human somatostatin receptor 5
50035198	6	ChEMBL_200828 (CHEMBL807041)	Inhibitory constant on human Somatostatin receptor type 3
50035198	5	ChEBML_200686	Inhibitory constant on human Somatostatin receptor type 2
50035198	7	ChEBML_200508	Inhibitory constant on human somatostatin receptor type 3
50035198	8	ChEMBL_200522 (CHEMBL801205)	Agonist activity on human somatostatin receptor 5
50035198	9	ChEMBL_200846 (CHEMBL807056)	Inhibitory constant on human Somatostatin receptor type 4
50035198	10	ChEMBL_200686 (CHEMBL883388)	Inhibitory constant on human Somatostatin receptor type 2
50035198	11	ChEMBL_200986 (CHEMBL801238)	Inhibitory constant on human Somatostatin receptor type 5
50035199	1	ChEBML_29331	Binding affinity towards rat Adenosine A1 receptor using [3H]-DPCPX
50035200	1	ChEBML_61824	Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat caudate putamen
50035200	2	ChEBML_201502	Ability to inhibit binding of [3H]paroxetine to Serotonin transporter in rat caudate putamen
50035201	1	ChEBML_68018	Inhibition of Estrone sulfatase
50049217	34	ChEMBL_1660555 (CHEMBL4010167)	Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai2 after 10 mins by BRET assay
50049217	25	ChEMBL_1660540 (CHEMBL4010152)	Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis
50035203	1	ChEBML_63795	Inhibitory concentration against Elastase
50035204	1	ChEBML_68019	Inhibitory concentration against estrone sulfatase
50049217	30	ChEMBL_1660546 (CHEMBL4010158)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
50035206	1	ChEBML_105971	Inhibition of human Matrix metalloprotease-1
50035206	2	ChEBML_104379	Inhibition of human Matrix metalloprotease-2
50035206	3	ChEBML_106619	Inhibition of Matrix metalloprotease-13
50035206	4	ChEBML_105070	Inhibition of Matrix metalloprotease-8
50035206	5	ChEBML_104910	Inhibition of Matrix metalloprotease-7
50035206	6	ChEBML_105362	Inhibition of Matrix metalloprotease-9
50035206	7	ChEMBL_104910 (CHEMBL713446)	Inhibition of Matrix metalloprotease-7
50035206	8	ChEMBL_104725 (CHEMBL710726)	Inhibition of Matrix metalloprotease-3
50035206	9	ChEBML_104725	Inhibition of Matrix metalloprotease-3
50035207	1	ChEBML_36425	Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand
50035208	1	ChEBML_219526	Inhibition of [35S]methionyl incorporation by Escherichia coli methionyl-tRNA synthetase (MetRS)
50035208	2	ChEBML_220773	Inhibition of [3H]isoleucyl incorporation by Escherichia coli isoleucyl-tRNA synthetase (IleRS)
50035209	1	ChEMBL_67938 (CHEMBL676894)	Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of Escherichia coli
50035209	2	ChEBML_67947	Inhibitory concentration against methionyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [35S]- methionyl tRNA of Escherichia coli
50035209	3	ChEBML_67938	Inhibitory concentration against isoleucyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [3H]- isoleucyl tRNA of Escherichia coli
50035209	4	ChEMBL_67947 (CHEMBL676902)	Inhibitory concentration against methionyl-tRNA synthetase was determined by measuring decrease of the aminoacylation product [35S]- methionyl tRNA of Escherichia coli
50035212	1	ChEBML_202129	Inhibition of [3H]5-HT uptake at Serotonin transporter in rat mid brain
50035212	3	ChEBML_143123	Inhibition of [3H]NE uptake at Norepinephrine transporter in rat parietal/occipital cortex was determined
50035212	6	ChEBML_62632	Inhibition of [3H]DA uptake at Dopamine transporter in rat cortex.
50035213	2	ChEBML_33613	Binding affinity for human Alpha-1A adrenergic receptor
50035213	3	ChEBML_32439	Binding affinity towards human Alpha-1D adrenergic receptor
50035213	4	ChEBML_32724	Binding affinity towards rat Alpha-1D adrenergic receptor
50035213	5	ChEBML_62094	Ancillary Binding affinity towards rat Dopamine receptor D2
50035213	6	ChEBML_34026	Binding affinity towards rat Alpha-1A adrenergic receptor
50035213	7	ChEBML_34336	Binding affinity towards human Alpha-1B adrenergic receptor
50035213	8	ChEBML_33061	Ancillary Binding affinity towards cloned human Alpha-2A adrenergic receptor
50035213	9	ChEBML_33523	Ancillary Binding affinity to cloned human Alpha-2C adrenergic receptor
50035213	10	ChEBML_33379	Ancillary Binding affinity towards rat alpha-2B receptor
50035213	11	ChEBML_58513	Ancillary Binding affinity to rat Dopamine receptor D1
50035213	12	ChEBML_33587	Binding affinity towards bovine Alpha-1A adrenergic receptor
50035214	1	ChEBML_79479	Tested for the ability to bind the HIV-1 RRE-RNA construct by fluorescence anisotropy
50035216	1	ChEBML_144170	Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes
50035218	1	ChEBML_87153	In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rt after 3 min incubation with compound
50035218	3	ChEMBL_207974 (CHEMBL815801)	In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rt after 3 min incubation with compound
50035218	4	ChEMBL_87153 (CHEMBL697449)	In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rt after 3 min incubation with compound
50035221	1	ChEBML_62274	Displacement of the radioligand [3H]YM-09151-2 from cloned human Dopamine receptor D3 expressed in CHO cells
50035221	2	ChEBML_60687	Displacement of the radioligand [3H]spiperone from the cloned human dopamine receptor D4 expressed in CHO cells
50035221	3	ChEBML_60221	Displacement of the radioligand [3H]spiperone from the cloned human Dopamine receptor D2 long expressed in CHO cells
50035222	1	ChEBML_67985	Inhibitory activity againist Estrone sulfatase from MCF-7 cells (placental microsomes)
50035223	1	ChEBML_68021	Inhibitory concentration required to inhibit the enzyme estrone sulfatase was determined
50035224	1	ChEBML_221513	Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA)
50035225	1	ChEBML_210079	Tested for 50% inhibition against Telomerase
50035230	4	ChEMBL_45266 (CHEMBL658218)	Inhibitory activity against human cloned Carbonic Anhydrase isozyme(bCA IV)
50035231	1	ChEBML_208858	In vitro Inhibitory concentration against Thrombin
50049217	23	ChEMBL_1660542 (CHEMBL4010154)	Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
50049234	1	ChEBML_1660630	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50049234	2	ChEBML_1660629	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50035234	1	ChEBML_79805	Compound was tested for inhibitory activity against HIV-1 protease
50049234	3	ChEBML_1660631	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50035235	1	ChEBML_201990	Compound was tested for the inhibition of serotonin [3H]SER reuptake into rat forebrain membranes
50035235	3	ChEBML_144989	Compound was tested for the inhibition of norepinephrine [3H]NE reuptake into rat cortical membranes
50035235	4	ChEMBL_62497 (CHEMBL677554)	Compound was tested for the inhibition of [3H]DA reuptake into rat striatal tissue
50049234	5	ChEMBL_1660629 (CHEMBL4010241)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50049234	4	ChEMBL_1660632 (CHEMBL4010244)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50049234	6	ChEMBL_1660630 (CHEMBL4010242)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50049234	7	ChEMBL_1660631 (CHEMBL4010243)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50035238	1	ChEBML_88838	Inhibition of human steroid sulfatase compared to EMATE
50035240	1	ChEBML_201822	Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes
50035240	2	ChEBML_62467	Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes
50035241	2	ChEBML_90577	Compound was tested for the inhibition HIV integrase 3'-processing activity
50035243	3	ChEMBL_155368 (CHEMBL762513)	Inhibition of Phosphodiesterase 5 from rat diaphragm
50035243	4	ChEBML_155368	Inhibition of Phosphodiesterase 5 from rat diaphragm
50035244	1	ChEBML_62622	Displacement of [3H]WIN-35428 from dopamine transporter of rat caudate putamen tissue
50035245	1	ChEMBL_68016 (CHEMBL678523)	Inhibitory activity against Estrone Sulfatase
50035245	2	ChEBML_68017	Inhibitory activity against Estrone sulfatase was determined
50035247	2	ChEBML_99589	Inhibitory concentration for MAGI-3 PDZ2 domain
50049235	1	ChEMBL_1660724 (CHEMBL4010336)	Inhibition of DHFR (unknown origin)
50049235	2	ChEMBL_1660723 (CHEMBL4010335)	Inhibition of human DcpS assessed as increase in SMN2 promoter activity
50035251	9	ChEMBL_62250 (CHEMBL675477)	Binding affinity towards Dopamine receptor D2 in rat was evaluated
50049233	9	ChEMBL_1659947 (CHEMBL4009559)	Inhibition of recombinant rat Kv(1.1)3/Kv1.2 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50049233	3	ChEMBL_1659962 (CHEMBL4009574)	Inhibition of Kv1.1 (unknown origin)
50049233	6	ChEMBL_1659949 (CHEMBL4009561)	Inhibition of recombinant rat Kv1.1/Kv(1.2)3 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50049233	8	ChEMBL_1659946 (CHEMBL4009558)	Inhibition of recombinant rat Kv(1.1)4 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50049233	5	ChEMBL_1659948 (CHEMBL4009560)	Inhibition of recombinant rat Kv(1.1)2/Kv(1.2)2 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50035251	7	ChEBML_62248	Binding affinity towards D2 receptor in rat was evaluated
50049233	4	ChEMBL_1659950 (CHEMBL4009562)	Inhibition of recombinant rat Kv1.2(4) expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50035252	1	ChEBML_145777	Concentration required for 50% inhibition of electrically induced contraction of the mouse vas deferens mediated through delta opioid receptor
50049233	7	ChEMBL_1659945 (CHEMBL4009557)	Inhibition of recombinant rat Kv1.1 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method
50049237	1	ChEMBL_1659971 (CHEMBL4009583)	Activation of human CFTR expressed in FRT cells co-expressing YFP H148Q mutant assessed as increase in forskolin-stimulated iodide influx measured after 10 mins by fluorescence assay
50035253	1	ChEBML_214566	Evaluated for the binding affinity towards Vasopressin V1a receptor in rat liver membrane using [3H]AVP as radioligand
50035253	2	ChEMBL_211258 (CHEMBL885387)	Evaluated for the binding affinity towards vasopressin (V2) receptor in rat kidney membrane using [3H]AVP as radioligand
50035253	3	ChEMBL_214566 (CHEMBL818692)	Evaluated for the binding affinity towards Vasopressin V1a receptor in rat liver membrane using [3H]AVP as radioligand
50035253	4	ChEBML_215019	Evaluated for the binding affinity towards Vasopressin V2 receptor in rat kidney membrane using [3H]-AVP as radioligand
50049237	2	ChEMBL_1659972 (CHEMBL4009584)	Activation of human CFTR expressed in forskolin-stimulated basolateral membrane permeabilized FRT cells assessed as increase in short-circuit current amplitude after 30 mins by voltage clamp method
50035254	3	ChEBML_155170	Inhibition of human Phosphodiesterase 4B from peripheral blood mononuclear cells
50035254	4	ChEBML_155038	Inhibition of human Phosphodiesterase 4A from peripheral blood mononuclear cells
50035254	5	ChEBML_155177	Inhibition of human Phosphodiesterase 4C from peripheral blood mononuclear cells
50035254	6	ChEBML_155181	Inhibition of human Phosphodiesterase 4D from peripheral blood mononuclear cells
50035254	7	ChEBML_156321	Inhibition of human Phosphodiesterase 2 from peripheral blood mononuclear cells
50049238	1	ChEBML_1659987	Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min
50049238	2	ChEMBL_1659987 (CHEMBL4009599)	Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min
50035257	1	ChEBML_53195	Inhibition of Dipeptidyl Peptidase IV
50035257	5	ChEMBL_54692 (CHEMBL669547)	Inhibitory activity against Dipeptidyl Peptidase II
50049239	1	ChEMBL_1661524 (CHEMBL4011136)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system
50049239	2	ChEMBL_1661523 (CHEMBL4011135)	Inhibition of CDK2 (unknown origin)
50049239	4	ChEMBL_1661519 (CHEMBL4011131)	Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay
50035258	1	ChEBML_88297	Inhibition of human epidermal growth factor receptor-2 autophosphorylation
50035258	2	ChEBML_66581	Inhibition of Epidermal Growth Factor Receptor (EGFR) autophosphorylation
50035259	1	ChEBML_48471	Compound was tested for inhibitory activity against Coagulation factor VIIa
50035259	2	ChEBML_49158	Compound was tested for inhibitory activity against Coagulation factor XIa
50035259	4	ChEBML_155410	Compound was tested for inhibitory activity against Plasmin
50049239	5	ChEMBL_1661525 (CHEMBL4011137)	Inhibition of recombinant human His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system
50049239	6	ChEMBL_1661526 (CHEMBL4011138)	Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus expression system
50049239	7	ChEMBL_1661527 (CHEMBL4011139)	Inhibition of recombinant full length human His-tagged GSK3B expressed in baculovirus expression system
50035261	1	ChEBML_144178	Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat brain membranes
50035262	2	ChEBML_145246	Binding affinity at human opioid receptor kappa 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0.31 nM
50049239	8	ChEMBL_1661528 (CHEMBL4011140)	Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system
50049239	9	ChEMBL_1661529 (CHEMBL4011141)	Inhibition of recombinant human GST-tagged MER cytoplasmic domain expressed in baculovirus expression system
50049239	10	ChEMBL_1661531 (CHEMBL4011143)	Inhibition of PRKAA1 (unknown origin)
50049239	11	ChEMBL_1661532 (CHEMBL4011144)	Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system
50049239	12	ChEMBL_1661533 (CHEMBL4011145)	Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system
50049239	13	ChEMBL_1661534 (CHEMBL4011146)	Inhibition of recombinant human GST-tagged RON cytoplasmic domain expressed in baculovirus expression system
50049240	1	ChEMBL_1661537 (CHEMBL4011149)	Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estrogen-induced transcription preincubated overnight followed by estrogen addition measured after 24 hrs by dual luciferase reporter gene assay
50049240	2	ChEMBL_1661539 (CHEMBL4011151)	Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by Western blot analysis
50035265	1	ChEMBL_162431 (CHEMBL771834)	Inhibitory concentration against protein-tyrosine phosphatase 1B (PTB 1B)
50035265	4	ChEBML_162110	Binding affinity towards protein-tyrosine phosphatase 1B (PTP1B)
50035266	1	ChEBML_210401	Competitive inhibition of thermolysin evaluated using the substrate FAGLA (Sigma); Competitive binding observed
50035267	1	ChEBML_63108	Affinity for the Human Dopamine receptor D4 was determined using membranes from CHO cells labeled with [3H]spiperone
50035267	3	ChEBML_62113	Affinity for the Human Dopamine receptor D3 was determined using membranes from CHO cells labeled with [3H]spiperone
50035267	5	ChEBML_61802	Affinity for the Dopamine receptor D2S was determined using membranes from CHO cells labeled with [3H]spiperone
50049240	3	ChEMBL_1661596 (CHEMBL4011208)	Induction of ERalpha degradation in human MCF7 cells after 18 hrs by Western blot analysis
50035268	3	ChEMBL_161766 (CHEMBL767327)	Inhibitory concentration against Protein phosphatase 1 was determined
50049240	4	ChEMBL_1661563 (CHEMBL4011175)	Induction of ERalpha degradation in human MCF7 cells assessed as inhibition of insulin-mediated cell proliferation after 6 days by Hoechst 33258 dye-based assay
50035268	4	ChEMBL_161772 (CHEMBL767488)	Concentration required to inhibit the action of protein phosphatase 2A
50035268	5	ChEBML_161766	Inhibitory concentration against Protein phosphatase 1 was determined
50035268	6	ChEBML_198006	Concentration required to inhibit the action of protein phosphatase 2A
50035269	1	ChEBML_196565	Inhibition constant for the compound was determined against the recombinant rat liver AdoHyc hydrolase (MV1304/pUCSAH)
50035270	1	ChEBML_211170	Activity towards binding at colchicine site of bovine brain tubulin
50035270	2	ChEMBL_211170 (CHEMBL817535)	Activity towards binding at colchicine site of bovine brain tubulin
50035271	1	ChEBML_62138	In vitro binding affinity at human cloned dopamine receptor D3 stably expressed in CHO cells by [3H]spiperone displacement.
50035271	5	ChEBML_60335	In vitro binding affinity at human cloned dopamine receptor D1 stably expressed in CHO cells by [3H]-SCH- 23390 displacement.
50035271	8	ChEBML_1072	Compound was tested in vitro for its ability to compete with [3H]8-OH-DPAT at 5-hydroxytryptamine 1A receptor in porcine brain homogenate
50049241	1	ChEMBL_1661610 (CHEMBL4011222)	Agonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10-fused Ggamma2 by BRET assay
50049241	2	ChEMBL_1661612 (CHEMBL4011224)	Antagonist activity at human dopamine D2 receptor expressed in forskolin stimulated-HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10-fused Ggamma2 assessed as inhibition of quinpirole-induced Galphai1 activation by BRET assay
50035271	9	ChEBML_61612	Binding affinity of compound was tested in vitro for its ability to compete with [3H]spiperone radioligand at cloned human Dopamine receptor D2L stably expressed in CHO cells
50049241	3	ChEMBL_1661599 (CHEMBL4011211)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation counting analysis
50049241	4	ChEMBL_1661604 (CHEMBL4011216)	Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as reduction in quinpirole-mediated cAMP inhibition preincubated for 15 mins followed by quinpirole addition measured for 1 sec by BRET assay
50035273	3	ChEBML_91766	Inhibition of JNK2-alpha-2 kinase
50049241	5	ChEMBL_1661606 (CHEMBL4011218)	Agonist activity at renilla luciferase-tagged human dopamine D2 receptor expressed in HEK293 cells coexpressing mVenus-fused beta-arrestin 2 assessed as induction of beta-arrestin 2 recruitment by BRET assay
50035274	2	ChEBML_208524	Inhibitory constant against human thrombin (FIIa) determined in vitro
50035274	3	ChEBML_49313	Inhibitory constant against human Coagulation factor Xa determined in Vitro
50049241	6	ChEMBL_1661614 (CHEMBL4011226)	Agonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 by BRET assay
50035275	1	ChEBML_29407	In vitro inhibitory activity against acetylcholinesterase
50049241	7	ChEMBL_1661608 (CHEMBL4011220)	Antagonist activity at renilla luciferase-tagged human dopamine D2 receptor expressed in HEK293 cells coexpressing mVenus-fused beta-arrestin 2 assessed as reduction in quinpirole-mediated beta-arrestin 2 recruitment preincubated for 15 mins followed by quinpirole addition measured for 1 sec by BRET assay
50049241	8	ChEMBL_1661602 (CHEMBL4011214)	Agonist activity at human dopamine D2 receptor expressed in HEK293 cells assessed as cAMP inhibition by BRET assay
50049241	9	ChEMBL_1661616 (CHEMBL4011228)	Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 assessed as inhibition of quinpirole-induced GalphaoA activation by BRET assay
50035276	5	ChEMBL_159074 (CHEMBL764968)	Agonist activity against Progesterone receptor (PR) in transcriptional activation assay in human T47D breast carcinoma cell line
50049241	10	ChEMBL_1661600 (CHEMBL4011212)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation counting analysis
50035277	1	ChEBML_201974	Compound was evaluated for its ability to displace [3H]citalopram binding to the rat cortical Serotonin transporter
50035277	2	ChEMBL_201974 (CHEMBL804976)	Compound was evaluated for its ability to displace [3H]citalopram binding to the rat cortical Serotonin transporter
50035278	1	ChEBML_47839	The compound was tested for its inhibitory activity towards Class A TEM-1 beta-lactamase from Escherichia coli at 0.3 umol
50035278	2	ChEBML_47853	The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration
50035280	1	ChEBML_208337	Binding affinity against human thrombin
50035280	3	ChEBML_49170	Compound was evaluated for the binding affinity against human Coagulation factor Xa
50049242	1	ChEMBL_1661622 (CHEMBL4011234)	Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR2 extracellular domain preincubated for 1 hr followed by receptor addition measure after 2 hrs by TR-FRET assay
50035281	4	ChEBML_106657	Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 5 receptor
50049242	2	ChEMBL_1661619 (CHEMBL4011231)	Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR1 extracellular domain preincubated for 1 hr followed by receptor addition measure after 2 hrs by TR-FRET assay
50049243	1	ChEMBL_1661630 (CHEMBL4011242)	Inhibition of KMO (unknown origin)
50049238	4	ChEMBL_1659985 (CHEMBL4009597)	Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay
50049238	3	ChEMBL_1659986 (CHEMBL4009598)	Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of YM155 after 1 min
50049244	1	ChEMBL_1660007 (CHEMBL4009619)	Inhibition of human ERG by patch clamp assay
50049244	2	ChEMBL_1660008 (CHEMBL4009620)	Inhibition of CYP3A4 (unknown origin)
50049244	3	ChEMBL_1660012 (CHEMBL4009624)	Inhibition of CYP2D6 (unknown origin)
50049244	4	ChEMBL_1660011 (CHEMBL4009623)	Inhibition of CYP2C9 (unknown origin)
50049244	5	ChEMBL_1660010 (CHEMBL4009622)	Inhibition of CYP2C8 (unknown origin)
50049244	6	ChEMBL_1660013 (CHEMBL4009625)	Inhibition of CYP1A2 (unknown origin)
50049244	7	ChEMBL_1660009 (CHEMBL4009621)	Inhibition of CYP2C19 (unknown origin)
50049245	1	ChEBML_1660039	Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049245	2	ChEBML_1660050	Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049245	3	ChEBML_1660055	Inhibition of PDK4 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049245	4	ChEBML_1660037	Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049236	9	ChEMBL_1660770 (CHEMBL4010382)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 60 mins in presence of NADPH by LC-MS/MS analysis
50049236	7	ChEMBL_1660771 (CHEMBL4010383)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH by LC-MS/MS analysis
50049236	8	ChEMBL_1660772 (CHEMBL4010384)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 mins in presence of NADPH by LC-MS/MS analysis
50049236	6	ChEMBL_1660773 (CHEMBL4010385)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 60 mins in presence of NADPH by LC-MS/MS analysis
50049246	1	ChEMBL_1660839 (CHEMBL4010451)	Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin production measured after 24 hrs
50049247	1	ChEMBL_1660848 (CHEMBL4010460)	Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 mins
50035283	1	ChEBML_144987	Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex
50035283	2	ChEBML_201979	Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain
50035283	3	ChEBML_62491	Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum
50049248	1	ChEBML_1660851	Inhibition of recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50035284	3	ChEBML_215812	Inhibition of [3H]RTX binding to human Vanilloid receptor subtype 1 expressed in HEK293 cells
50049248	2	ChEBML_1660852	Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50049248	5	ChEMBL_1660854 (CHEMBL4010466)	Inhibition of recombinant human Carbonic anhydrase 5B assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50049248	3	ChEBML_1660853	Inhibition of recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50049245	5	ChEMBL_1660037 (CHEMBL4009649)	Inhibition of full length His6-tagged PDK1 (unknown origin) expressed in Escherichia coli using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049245	6	ChEMBL_1660050 (CHEMBL4009662)	Inhibition of PDK3 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50049245	7	ChEMBL_1660039 (CHEMBL4009651)	Inhibition of PDK2 (unknown origin) using full length His6-tagged PDHA1 as substrate after 30 mins by ELISA
50035286	1	ChEBML_64349	Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane
50035287	1	ChEBML_68022	In vitro inhibition of estrone sulfatase.
50035288	1	ChEBML_208388	Binding affinity towards recombinant thymidine phosphorylase TP
50049249	1	ChEMBL_1660109 (CHEMBL4009721)	Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as substrate after 1 hr by FITC-based caliper assay
50035289	8	ChEBML_106812	Binding affinity towards human melanocortin receptor hMC5R by using radioligand NDP-MSH
50049249	2	ChEMBL_1660110 (CHEMBL4009722)	Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as substrate preincubated for 15 mins followed by substrate addition after 1 hr by transcreener-based fluorescence polarization assay
50035290	1	ChEBML_217793	Binding affinity towards alpha-7 neuronal nicotinic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole brain membrane
50035291	1	ChEBML_152860	Inhibitory activity against human serum paraoxonase (PON1)
50035292	1	ChEBML_196550	Binding affinity against S-Adenosyl-homocysteine hydrolase was determined
50035296	1	ChEBML_144315	Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source
50049249	3	ChEMBL_1660111 (CHEMBL4009723)	Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay
50035298	1	ChEBML_197021	Inhibitory activity against S-adenosyl-L-homocysteine hydrolase was determined
50035298	2	ChEMBL_197023 (CHEMBL803089)	Inhibitory activity against S-adenosyl-L-homocysteine hydrolase was determined in synthetic directions
50035299	1	ChEBML_197275	In vitro antiviral activity against HIV-1 Reverse transcriptase M184V mutant
50035300	2	ChEBML_207984	In vitro inhibitory activity against thrombin
50035301	1	ChEBML_105194	Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5
50049249	4	ChEMBL_1660112 (CHEMBL4009724)	Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins with substrate measured after 15 mins by LC-MS analysis
50035302	4	ChEMBL_123497 (CHEMBL729159)	Antagonist activity at mineralocorticoid receptor (hMR); not active
50035302	5	ChEBML_123497	Antagonist activity at mineralocorticoid receptor (hMR); not active
50035302	6	ChEMBL_35971 (CHEMBL646935)	Antagonist activity against Androgen receptor
50035302	8	ChEBML_71096	Antagonist activity at glucocorticoid (hGR) receptor; not active
50035302	10	ChEMBL_71097 (CHEMBL674945)	Antagonist activity at glucocorticoid receptor
50049249	5	ChEMBL_1660114 (CHEMBL4009726)	Binding affinity to S1PR1 (unknown origin)
50035302	11	ChEMBL_36099 (CHEMBL647321)	Antagonist activity against human Androgen receptor
50049249	6	ChEMBL_1660115 (CHEMBL4009727)	Binding affinity to S1PR2 (unknown origin)
50049249	7	ChEMBL_1660116 (CHEMBL4009728)	Binding affinity to S1PR3 (unknown origin)
50035302	12	ChEMBL_71096 (CHEMBL674944)	Antagonist activity at glucocorticoid (hGR) receptor; not active
50049249	8	ChEMBL_1660119 (CHEMBL4009731)	Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins followed by substrate addition measured after 10 mins by MS analysis
50035302	13	ChEBML_35971	Antagonist activity against Androgen receptor
50035303	4	ChEMBL_71384 (CHEMBL681736)	Inhibition of antagonist activity towards glucocorticoid (hGR) receptor
50035303	7	ChEBML_123511	Inhibition of antagonist activity towards mineralocorticoid receptor (hMR)
50035303	8	ChEMBL_36127 (CHEMBL649559)	Inhibition of antagonist activity towards human Androgen receptor
50035303	12	ChEBML_71384	Inhibition of antagonist activity towards glucocorticoid (hGR) receptor
50049249	9	ChEMBL_1660117 (CHEMBL4009729)	Binding affinity to S1PR5 (unknown origin)
50049250	1	ChEMBL_1660124 (CHEMBL4009736)	Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 mins followed by enzyme addition by pGAPase coupled fluorometry
50049250	2	ChEMBL_1660125 (CHEMBL4009737)	Inhibition of iso glutaminyl cyclase (unknown origin)
50049250	3	ChEMBL_1660123 (CHEMBL4009735)	Inhibition of mouse glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 mins followed by enzyme addition by pGAPase coupled fluorometry
50035303	16	ChEBML_36125	Inhibition of antagonist activity towards Androgen receptor
50035304	2	ChEBML_106030	Agonist activity on mouse Melanocortin 3 receptor (mMC3R) stably expressed in HEK cells
50035304	5	ChEMBL_105854 (CHEMBL717324)	Compound was evaluated for its agonist activity on mouse melanocortin 1 receptor (mMC1R) stably expressed in HEK cells
50049251	1	ChEBML_1660138	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured after 600 secs by IonWorks Barracuda patch-clamp assay
50035304	7	ChEMBL_106667 (CHEMBL714020)	Compound was evaluated for its agonist activity on mouse melanocortin 5 receptor (mMC5R) stably expressed in HEL cells
50035304	8	ChEMBL_106495 (CHEMBL717599)	Compound was evaluated for its agonist activity on mouse melanocortin 4 receptor (mMC4R) stably expressed in HEL cells
50035304	9	ChEMBL_106157 (CHEMBL718853)	Compound was evaluated for its agonist activity on mouse melanocortin receptor 3 (mMC3R) stably expressed in HEK cells
50049248	6	ChEMBL_1660855 (CHEMBL4010467)	Inhibition of recombinant human Carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50049248	4	ChEMBL_1660856 (CHEMBL4010468)	Inhibition of recombinant human Carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50035305	5	ChEBML_145001	Compound was tested for inhibition of [3H]NE binding to norepinephrine transporter HEK cells
50049248	7	ChEMBL_1660851 (CHEMBL4010463)	Inhibition of recombinant human Carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50049248	8	ChEMBL_1660853 (CHEMBL4010465)	Inhibition of recombinant human Carbonic anhydrase 5A assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50035305	4	ChEBML_201347	Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells
50049248	9	ChEMBL_1660852 (CHEMBL4010464)	Inhibition of recombinant human Carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by stopped-flow assay
50035306	2	ChEBML_210718	Inhibition of prednisilone-induced tyrosine aminotransferase (TAT) activity in rat hepatocytes
50035307	1	ChEBML_106298	Inhibitory activity against matrix metalloprotease-1
50035307	2	ChEMBL_106299 (CHEMBL714555)	Inhibitory activity against matrix metalloprotease-1
50035307	3	ChEBML_105210	Inhibition of matrix metalloprotease-8
50035307	4	ChEBML_106460	Inhibition of matrix metalloprotease-12
50035307	5	ChEBML_106640	Inhibitory activity against matrix metalloprotease-13
50035307	6	ChEBML_104553	Inhibition of matrix metalloprotease-2
50035307	7	ChEBML_104894	Inhibition of matrix metalloprotease-3
50035309	5	ChEBML_156305	Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland
50049252	1	ChEBML_1661006	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 mins
50049251	10	ChEMBL_1660138 (CHEMBL4009750)	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -60 mV holding potential measured after 600 secs by IonWorks Barracuda patch-clamp assay
50049251	3	ChEMBL_1660136 (CHEMBL4009748)	Inhibition of human CYP3A4 assessed as inhibition of dealkylation
50049251	9	ChEMBL_1660139 (CHEMBL4009751)	Inhibition of recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current at -50 mV holding potential measured after 600 secs by IonWorks Barracuda patch-clamp assay
50049251	6	ChEMBL_1660143 (CHEMBL4009755)	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -120 mV holding potential measured after 600 secs by IonWorks Barracuda patch-clamp assay
50049251	7	ChEMBL_1660140 (CHEMBL4009752)	Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured after 600 secs by manual patch clamp electrophysiology assay
50035311	1	ChEBML_208872	Inhibitory activity against thrombin (IIa)
50035311	2	ChEBML_48464	Inhibition of tissue coagulation factor VII
50035311	3	ChEBML_48979	Inhibition of coagulation factor X
50035313	1	ChEMBL_213287 (CHEMBL814342)	Inhibitory activity against mushroom tyrosinase
50035313	2	ChEBML_213288	Inhibitory activity against mushroom tyrosinase (approximate value given)
50049251	2	ChEMBL_1660137 (CHEMBL4009749)	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -70 mV holding potential measured after 600 secs by manual patch clamp electrophysiology assay
50049251	5	ChEMBL_1660145 (CHEMBL4009757)	Inhibition of Nav1.7 in C57BL/6 rat embryonic DRG cells assessed as blockade of spontaneous neuronal firing by Maestro microelectrode array analysis
50035315	3	ChEBML_51347	Inhibition of Cytochrome P450 1A1 enzyme in bacterial membrane expressing human P450s
50035315	4	ChEBML_51378	Inhibition of human Cytochrome P450 1B1 expressed in bacterial membrane
50035315	5	ChEBML_51362	Inhibition of Cytochrome P450 1A2 enzyme in bacterial membrane expressing human P450s
50049251	8	ChEMBL_1660141 (CHEMBL4009753)	Inhibition of rat Nav1.7 assessed as reduction in peak inward current at -70 mV holding potential measured after 600 secs by manual patch clamp electrophysiology assay
50035315	6	ChEMBL_51378 (CHEMBL663709)	Inhibition of human Cytochrome P450 1B1 expressed in bacterial membrane
50049251	4	ChEMBL_1660144 (CHEMBL4009756)	Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology assay
50049253	1	ChEBML_1660180	Inhibition of human PI3K p110alpha/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate after 30 mins by HTRF assay
50049253	4	ChEMBL_1660180 (CHEMBL4009792)	Inhibition of human PI3K p110alpha/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate after 30 mins by HTRF assay
50049253	2	ChEMBL_1660181 (CHEMBL4009793)	Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins
50049253	3	ChEBML_1660181	Inhibition of human N-terminal FLAG-tagged mTOR (1362-end residues) in presence of [gamma33P]ATP after 40 mins
50049252	5	ChEMBL_1661020 (CHEMBL4010632)	Inhibition of recombinant human CYP2D6 expressed in baculosomes using Vivid EOMCC substrate blue measured every 30 sec for 30 mins by fluorescence assay
50049252	24	ChEMBL_1660956 (CHEMBL4010568)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	30	ChEMBL_1660984 (CHEMBL4010596)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	22	ChEMBL_1660999 (CHEMBL4010611)	Inhibition of human CYP1A2 using phenacetin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	7	ChEMBL_1661007 (CHEMBL4010619)	Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins
50049252	46	ChEMBL_1661006 (CHEMBL4010618)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 mins
50049252	3	ChEMBL_1660928 (CHEMBL4010540)	Inhibition of CYP3A4 in human liver microsomes assessed as enzyme-mediated metabolite formation using midazolam as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	9	ChEMBL_1661005 (CHEMBL4010617)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins
50049252	31	ChEMBL_1661018 (CHEMBL4010630)	Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMR substrate red measured every 30 sec for 30 mins by fluorescence assay
50049252	43	ChEMBL_1661019 (CHEMBL4010631)	Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence assay
50049252	25	ChEMBL_1661008 (CHEMBL4010620)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 mins
50049252	26	ChEMBL_1661009 (CHEMBL4010621)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 40 mins
50049252	29	ChEMBL_1661017 (CHEMBL4010629)	Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid DBOMF substrate green measured every 30 sec for 30 mins by fluorescence assay
50049252	4	ChEMBL_1660907 (CHEMBL4010519)	Inhibition of CYP2C9 in human liver microsomes assessed as enzyme-mediated metabolite formation using diclofenac as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	6	ChEMBL_1661021 (CHEMBL4010633)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC analysis
50049252	38	ChEMBL_1661011 (CHEMBL4010623)	Inhibition of CYP2A6 in human liver microsomes using Coumarin as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins
50049252	28	ChEMBL_1661010 (CHEMBL4010622)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins
50049252	34	ChEMBL_1661015 (CHEMBL4010627)	Inhibition of recombinant human CYP2C9 expressed in baculosomes using Vivid OOMR substrate red measured every 30 sec for 30 mins by fluorescence assay
50049252	35	ChEMBL_1661016 (CHEMBL4010628)	Inhibition of recombinant human CYP2C19 expressed in baculosomes using Vivid EOMCC substrate blue measured every 30 sec for 30 mins by fluorescence assay
50049252	41	ChEMBL_1660949 (CHEMBL4010561)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	42	ChEMBL_1660900 (CHEMBL4010512)	Inhibition of CYP2C8 in human liver microsomes assessed as enzyme-mediated metabolite formation using paclitaxel as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	21	ChEMBL_1660914 (CHEMBL4010526)	Inhibition of CYP2C19 in human liver microsomes assessed as enzyme-mediated metabolite formation using (S)-mephenytoin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	36	ChEMBL_1661013 (CHEMBL4010625)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 10 mins followed by NADPH addition measured after 20 mins
50049252	18	ChEMBL_1661001 (CHEMBL4010613)	Inhibition of human CYP2C8 using paclitaxel as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	20	ChEMBL_1660935 (CHEMBL4010547)	Inhibition of CYP3A4 in human liver microsomes assessed as enzyme-mediated metabolite formation using testosterone as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	16	ChEMBL_1661022 (CHEMBL4010634)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC analysis
50049252	45	ChEMBL_1660921 (CHEMBL4010533)	Inhibition of CYP2D6 in human liver microsomes assessed as enzyme-mediated metabolite formation using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	15	ChEMBL_1661003 (CHEMBL4010615)	Inhibition of human CYP2C19 using (S)-mephenytoin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	8	ChEMBL_1661004 (CHEMBL4010616)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50049252	39	ChEMBL_1661012 (CHEMBL4010624)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins
50049252	13	ChEMBL_1660970 (CHEMBL4010582)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	14	ChEMBL_1660893 (CHEMBL4010505)	Inhibition of CYP2B6 in human liver microsomes assessed as enzyme-mediated metabolite formation using bupropion as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	19	ChEMBL_1661023 (CHEMBL4010635)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate by HPLC analysis
50049252	40	ChEMBL_1660880 (CHEMBL4010492)	Inhibition of CYP1A2 in human liver microsomes assessed as enzyme-mediated metabolite formation using phenacetin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	37	ChEMBL_1661014 (CHEMBL4010626)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 5 mins
50049252	11	ChEMBL_1661024 (CHEMBL4010636)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC analysis
50049252	44	ChEMBL_1660942 (CHEMBL4010554)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	12	ChEMBL_1660991 (CHEMBL4010603)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	32	ChEMBL_1660963 (CHEMBL4010575)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	23	ChEMBL_1660977 (CHEMBL4010589)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	17	ChEMBL_1661000 (CHEMBL4010612)	Inhibition of human CYP2B6 using bupropion as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	33	ChEMBL_1660886 (CHEMBL4010498)	Inhibition of CYP2A6 in human liver microsomes assessed as enzyme-mediated metabolite formation using coumarin as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049252	27	ChEMBL_1660998 (CHEMBL4010610)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50049252	10	ChEMBL_1661002 (CHEMBL4010614)	Inhibition of human CYP2C9 using diclofenac as substrate incubated for 5 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50049254	1	ChEMBL_1661124 (CHEMBL4010736)	Inhibition of human DNA polymerase-beta
50049253	5	ChEMBL_1660195 (CHEMBL4009807)	Inhibition of mTOR (unknown origin)
50049255	1	ChEBML_1661636	Antagonist activity at human P2Y4 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilization preincubated for 30 mins followed by UTP addition by fluo-4-dye based fluorescence assay
50049255	6	ChEMBL_1661636 (CHEMBL4011248)	Antagonist activity at human P2Y4 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilization preincubated for 30 mins followed by UTP addition by fluo-4-dye based fluorescence assay
50049255	2	ChEMBL_1661643 (CHEMBL4011255)	Antagonist activity at human P2Y12 receptor expressed in CHO cells assessed as inhibition of 2-MeSADP-induced beta-arrestin translocation preincubated for 30 mins followed by 2-MeSADP addition measured after 90 mins by luminescence-based topcount method
50049255	5	ChEMBL_1661639 (CHEMBL4011251)	Antagonist activity at human P2Y1 receptor transfected in human 1321N1 cells assessed as inhibition of ADP-activated intracellular calcium mobilization preincubated for 30 mins followed by ADP addition by fluo-4-dye based fluorescence assay
50049255	4	ChEMBL_1661641 (CHEMBL4011253)	Antagonist activity at human P2Y2 receptor transfected in human 1321N1 cells assessed as inhibition of UTP-activated intracellular calcium mobilization preincubated for 30 mins followed by UTP addition by fluo-4-dye based fluorescence assay
50049255	3	ChEMBL_1661642 (CHEMBL4011254)	Antagonist activity at human P2Y6 receptor transfected in human 1321N1 cells assessed as inhibition of UDP-activated intracellular calcium mobilization preincubated for 30 mins followed by UDP addition by fluo-4-dye based fluorescence assay
50035317	1	ChEBML_217776	Inhibitory activity for Plasmodium falciparum Zinc aminopeptidase
50035317	2	ChEBML_35508	Inhibitory activity against mammalian Aminopeptidase N (APN)
50035320	1	ChEBML_216934	Inhibition of Xanthine oxidase
50049257	1	ChEBML_1661982	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-taurocholate by topcount based membrane vesicle transport assay
50035321	2	ChEBML_212867	Inhibitory activity against human trypsin
50035321	3	ChEBML_207888	Inhibitory activity against Tissue plasminogen activator
50035322	1	ChEBML_45429	Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung
50035322	2	ChEBML_47522	Inhibitory activity against human carbonic anhydrase I (hCA I)
50035322	3	ChEBML_45085	Inhibitory activity against human carbonic anhydrase II
50035326	1	ChEBML_163803	Effect on IgE/Fcepsilon RI triggered rat basophil cell (RBL-2H3) degranulation assessed by measuring the amount of 5-HT release
50035326	2	ChEBML_206946	Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis
50049256	4	ChEMBL_1661668 (CHEMBL4011280)	Agonist activity at human recombinant MOR expressed in CHO cells assessed as calcium mobilization by Fluo-4 AM based fluorescence analysis
50049256	1	ChEMBL_1661666 (CHEMBL4011278)	Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates after 180 mins by liquid scintillation counting analysis
50049256	3	ChEMBL_1661664 (CHEMBL4011276)	Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis
50049256	2	ChEMBL_1661665 (CHEMBL4011277)	Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis
50049258	1	ChEMBL_1661711 (CHEMBL4011323)	Inhibition of 15-LOX (unknown origin)
50035327	5	ChEBML_153484	Binding affinity towards peroxisome proliferator activated receptor alpha (murinePPAR alpha)
50049258	2	ChEMBL_1661707 (CHEMBL4011319)	Inhibition of 15-LOX in human primary polymorphonuclear leukocytes
50049258	3	ChEMBL_1661706 (CHEMBL4011318)	Inhibition of thapsigargin-stimulated 15-LOX in human primary polymorphonuclear leukocytes using arachidonic acid as substrate preincubated for 5 mins followed by thapsigargin stimulation for 5 mins by RP-HPLC method
50035328	1	ChEBML_32967	Inhibition of alpha-(2-6)-Sialyltransferase from rat liver
50035329	1	ChEBML_64988	Inhibitory concentration tested against bovine endothelial nitric oxide synthase (eNOS)
50035329	2	ChEBML_143215	Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum
50049259	1	ChEBML_1661745	Inhibition of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035330	1	ChEMBL_216151 (CHEMBL817034)	Inhibitory activity evaluated against alpha-2,3-sialyltransferase from rat liver
50035330	2	ChEMBL_216152 (CHEMBL817949)	Inhibitory activity evaluated against alpha-2,6-sialyltransferase from rat liver
50035331	1	ChEMBL_201455 (CHEMBL807600)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50035331	2	ChEMBL_201311 (CHEMBL805799)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50049259	2	ChEBML_1661746	Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035331	4	ChEMBL_201318 (CHEMBL806168)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50035331	5	ChEMBL_201326 (CHEMBL806175)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50035331	6	ChEMBL_201445 (CHEMBL807591)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
50049257	4	ChEMBL_1661982 (CHEMBL4011663)	Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate transport preincubated for 10 mins prior to ATP addition measured after 15 mins in presence of [3H]-taurocholate by topcount based membrane vesicle transport assay
50035331	9	ChEMBL_201327 (CHEMBL806176)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
50035331	10	ChEMBL_201444 (CHEMBL807590)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50035331	12	ChEMBL_201457 (CHEMBL884095)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
50035331	13	ChEMBL_201458 (CHEMBL807602)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand; Not determined
50035331	14	ChEMBL_201319 (CHEMBL806169)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
50035331	15	ChEMBL_201325 (CHEMBL806174)	In vitro binding affinity towards human S1P3 receptor expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
50035331	16	ChEMBL_201312 (CHEMBL800919)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
50035333	1	ChEBML_62496	Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatum
50035333	2	ChEBML_142643	Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region
50035333	3	ChEBML_201989	Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian
50035335	1	ChEMBL_51899 (CHEMBL666005)	Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM
50035336	1	ChEBML_208378	Inhibitory activity against Escherichia coli thymidine phosphorylase
50035336	4	ChEBML_208396	Inhibitory activity against mouse liver thymidine phosphorylase at 0.15 mM thymidine substrate
50035337	1	ChEBML_105991	In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)
50035337	2	ChEBML_106190	In vitro cAMP accumulation in HEK cells transfected with human melanocortin receptor-4 (hMC4R)
50035337	4	ChEBML_106500	In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R)
50035337	5	ChEBML_106521	In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R)
50035337	6	ChEBML_105828	In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R)
50035337	7	ChEMBL_106190 (CHEMBL714609)	In vitro cAMP accumulation in HEK cells transfected with human melanocortin receptor-4 (hMC4R)
50049257	2	ChEMBL_1661986 (CHEMBL4011667)	Inhibition of BSEP in human hepatocytes assessed as reduction in biliary excretion of [3H]-taurocholate in cell lysates after 15 mins by liquid scintillation counting
50049260	1	ChEMBL_1661989 (CHEMBL4011670)	Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptake in to vesicles after 5 mins by TopCount method
50049260	2	ChEMBL_1661990 (CHEMBL4011671)	Inhibition of recombinant human BSEP expressed in baculovirus infected sf21 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptake in to vesicles after 5 mins by microbeta filtration method
50049260	3	ChEMBL_1661991 (CHEMBL4011672)	Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptake in to vesicles preincubated for 10 mins followed by ATP addition measured after 10 to 15 mins by TopCount method
50035340	7	ChEBML_3528	Inhibition of [3H]5-HT uptake in HEK cells expressing human SERT
50049260	4	ChEMBL_1661992 (CHEMBL4011673)	Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptake in to vesicles after 15 to 20 mins
50049260	5	ChEMBL_1661996 (CHEMBL4011677)	Inhibition of BSEP (unknown origin)
50049260	6	ChEBML_1661988	Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-taurocholic acid uptake in to vesicles preincubated for 5 mins followed by ATP/AMP addition measured after 5 mins by scintillation counting method
50049260	7	ChEMBL_1661988 (CHEMBL4011669)	Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-taurocholic acid uptake in to vesicles preincubated for 5 mins followed by ATP/AMP addition measured after 5 mins by scintillation counting method
50035341	4	ChEBML_67184	Affinity for human estrogen receptor beta
50035341	5	ChEBML_67026	Affinity for human estrogen receptor alpha
50035341	1	ChEBML_203041	Inhibitory activity against STS in human MCF-7 breast cancer cells
50035344	1	ChEBML_92658	Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.
50035344	2	ChEBML_195221	In vitro inhibitory activity against HIV-1 RT in CEM4 cell line
50049261	1	ChEMBL_1661999 (CHEMBL4011680)	Inhibition of Wistar rat kidney ALR1 assessed as reduction in NADPH oxidation using D-glycuronate as substrate by UV-visible spectrophotometric method
50049262	1	ChEMBL_1662067 (CHEMBL4011748)	Irreversible inhibition of human cerebral cortex MAO-A using [14C]-5-hydroxytryptamine creatinine disulphate as substrate pretreated for 60 mins followed by substrate addition after 30 mins by liquid scintillation counting method
50049262	2	ChEMBL_1662068 (CHEMBL4011749)	Irreversible inhibition of human cerebral cortex MAO-B using [14C]-phenylethylamin as substrate pretreated for 60 mins followed by substrate addition after 20 mins by liquid scintillation counting method
50049262	3	ChEBML_1662070	Inhibition of human MAO-A
50049262	4	ChEBML_1662056	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as substrate pretreated for 30 mins followed by substrate addition after 30 mins by Amplex red reagent based assay
50035345	4	ChEBML_106648	Concentration required to inhibit binding of [125I]NDP-alpha-MSH from membranes prepared from CHO cells expressing human melanocortin subtype-5-receptor (MC5R)
50035345	5	ChEBML_106183	Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R
50035345	6	ChEMBL_100389 (CHEMBL708681)	Effective concentration for cAMP accumulation relative to alpha-MSH at human MC4R
50035346	3	ChEBML_145265	Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.
50035346	6	ChEMBL_145266 (CHEMBL751204)	Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human kappa opioid receptor; 
50049262	6	ChEMBL_1662057 (CHEMBL4011738)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as substrate pretreated for 30 mins followed by substrate addition after 30 mins by Amplex red reagent based assay
50049262	7	ChEMBL_1662056 (CHEMBL4011737)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as substrate pretreated for 30 mins followed by substrate addition after 30 mins by Amplex red reagent based assay
50035347	1	ChEBML_104255	Agonistic activity evaluated at melanocortin 4 receptor (MC4R) of mouse HEK293 cells
50035347	2	ChEBML_105852	Agonistic activity evaluated at melanocortin 1 receptor (MC1R) of mouse HEK293 cells
50035347	3	ChEBML_106842	Agonistic activity evaluated at melanocortin 3 receptor (MC3R) of mouse HEK293 cells
50035347	4	ChEBML_104265	Agonistic activity evaluated at melanocortin 5 receptor (MC5R) of mouse HEK293 cells
50035348	1	ChEBML_104292	Binding affinity towards mGlu5 receptors in rat brain membranes was evaluated
50035348	2	ChEBML_218836	In vitro functional potency using an automated assay employing LtK-cells stably expressing human recombinant mGlu5 receptor by measuring changes in cytosolic [Ca2+] concentration
50035349	3	ChEBML_202162	Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter
50035349	4	ChEBML_62640	Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)
50035349	5	ChEBML_142780	Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)
50049262	5	ChEMBL_1662069 (CHEMBL4011750)	Inhibition of human MAO-B
50035349	2	ChEBML_62941	Affinity to inhibit [3H]DA uptake
50035350	1	ChEBML_146923	Binding affinity to delta opioid receptor was measured using [3H]DADLE
50035350	2	ChEBML_148862	Binding affinity to mu opioid receptor was measured using [3H]DAMGO
50049259	76	ChEMBL_1661728 (CHEMBL4011340)	Enhancing of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	97	ChEMBL_1661736 (CHEMBL4011348)	Inhibition of recombinant human SERT expressed in HEK293 cell membranes assessed as reduction in [3H]5-HT uptake incubated for 22 mins by micro beta scintillation counting analysis
50049259	83	ChEMBL_1661733 (CHEMBL4011345)	Inhibition of recombinant human NET expressed in HEK293 cell membranes assessed as reduction in [3H]-norepinephrine uptake incubated for 22 mins by micro beta scintillation counting analysis
50049259	93	ChEMBL_1661738 (CHEMBL4011350)	Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake
50049259	89	ChEMBL_1661730 (CHEMBL4011342)	Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	102	ChEMBL_1661746 (CHEMBL4011358)	Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	101	ChEMBL_1661734 (CHEMBL4011346)	Enhancing of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	75	ChEMBL_1661729 (CHEMBL4011341)	Enhancing of [3H]mazindol binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	99	ChEMBL_1661735 (CHEMBL4011347)	Enhancing of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035351	1	ChEBML_39920	Inhibitory concentration against CD4-gp120 binding in the absence of fetal bovine serum (FBS); Range is 0.13-0.5 uM
50049259	81	ChEMBL_1661723 (CHEMBL4011335)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins before radioligand addition and measured 90 mins after radioligand addition by micro beta scintillation counting analysis relative to control
50035354	1	ChEBML_39654	Inhibition of [125I]RANTES binding to CCR5 receptor.
50035355	1	ChEBML_52541	Inhibition of 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (YgbP)
50049259	94	ChEMBL_1661759 (CHEMBL4011371)	Displacement of [3H]Prazosin from human adrenergic alpha1D receptor
50035356	2	ChEBML_29472	Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane
50035356	1	ChEBML_32003	Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)
50049259	87	ChEMBL_1661731 (CHEMBL4011343)	Inhibition of recombinant human DAT expressed in HEK293 cell membranes assessed as reduction in [3H]-DA uptake incubated for 22 mins by micro beta scintillation counting analysis
50035357	1	ChEBML_45047	Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II), by esterase method.
50035357	2	ChEBML_44869	Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II) by esterase method
50035357	3	ChEMBL_44869 (CHEMBL656564)	Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II) by esterase method
50035358	1	ChEBML_45046	Inhibitory activity against human cloned carbonic anhydrase II (hCA II)
50035358	2	ChEBML_45267	Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)
50035358	3	ChEBML_47499	Inhibitory activity against human cloned carbonic anhydrase I (hCA I)
50035359	2	ChEBML_60338	In vitro Binding affinity towards dopamine D1 receptor using bovine striatal membrane preparations and antagonist [3H]-SCH- 23390
50035359	5	ChEMBL_62297 (CHEMBL675219)	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D3 in CHO cells
50049259	79	ChEMBL_1661747 (CHEMBL4011359)	Inhibition of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	90	ChEMBL_1661751 (CHEMBL4011363)	Displacement of [3H]Rauwolscine from human adrenergic alpha2A receptor
50035359	8	ChEMBL_60697 (CHEMBL676507)	In vitro binding affinity to displace [3H]spiperone from the cloned human dopamine receptor D4 in CHO cells
50049259	84	ChEMBL_1661732 (CHEMBL4011344)	Enhancing of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	95	ChEMBL_1661737 (CHEMBL4011349)	Enhancing of [125I]RTI-55 binding to mouse DAT expressed in HEK293 cells preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035359	11	ChEBML_61163	Effective concentration for [3H]thymidine uptake in growing CHO cells stably expressing the dopamine D4.2 receptor
50049259	74	ChEMBL_1661760 (CHEMBL4011372)	Displacement of [3H]Rauwolscine from human adrenergic alpha2C receptor
50049259	96	ChEMBL_1661758 (CHEMBL4011370)	Displacement of [3H]Prazosin from human adrenergic alpha1B receptor
50035359	13	ChEMBL_62291 (CHEMBL675214)	In vitro ability to displace [3H]spiperone from cloned human dopamine D3 receptor expressed in CHO cells
50035359	14	ChEBML_62291	In vitro ability to displace [3H]spiperone from cloned human dopamine D3 receptor expressed in CHO cells
50035360	1	ChEBML_44888	Compound was tested for inhibition of human carbonic anhydrase (hCA II)
50049259	70	ChEMBL_1661743 (CHEMBL4011355)	Inhibition of [3H]mazindol binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035362	1	ChEBML_90394	In vitro inhibitory concentration required against recombinant human IkB kinase beta (IKK-beta)
50035362	2	ChEBML_206831	Inhibition of human Syk
50035362	3	ChEMBL_90387 (CHEMBL698190)	Inhibition of human IKK-alpha
50035362	4	ChEBML_222674	Inhibition of human mitogen-activated protein kinase kinase 4 (MKK4)
50035362	5	ChEBML_90852	Inhibition of human IKK-alpha kinase
50035363	1	ChEBML_45423	Inhibitory activity against bovine carbonic anhydrase isozyme IV isolated from bovine lung microsomes, by esterase assay method.
50035363	2	ChEBML_45079	Inhibition of human carbonic anhydrase II
50035363	3	ChEBML_47515	Inhibitory activity against human cloned carbonic anhydrase isozyme I by esterase assay method.
50035363	4	ChEBML_45443	Inhibitory activity against human cloned carbonic anhydrase isozyme IX, by CO2 hydrase assay method.
50049259	73	ChEMBL_1661762 (CHEMBL4011374)	Enhancing of [3H]WIN35,428 binding to recombinant human DAT expressed in HEK293 cell membranes pre-incubated for 10 mins before radioligand addition and measured 90 mins after radioligand addition by micro beta scintillation counting analysis relative to control
50049259	88	ChEMBL_1661752 (CHEMBL4011364)	Displacement of [3H]Rauwolscine from human adrenergic alpha2B receptor
50049259	103	ChEMBL_1661745 (CHEMBL4011357)	Inhibition of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	77	ChEMBL_1661727 (CHEMBL4011339)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse A3AR expressed in CHO cells
50049259	85	ChEMBL_1661754 (CHEMBL4011366)	Displacement of [3H]QNB from human muscarinic M5 receptor
50049259	72	ChEMBL_1661741 (CHEMBL4011353)	Inhibition of [125I]RTI-55 binding to mouse DAT expressed in HEK293 cells preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	98	ChEMBL_1661757 (CHEMBL4011369)	Displacement of [3H]Prazosin from human adrenergic alpha1A receptor
50049259	91	ChEMBL_1661750 (CHEMBL4011362)	Displacement of [3H]Mesulergine from human 5-HT2C receptor
50049259	69	ChEMBL_1661744 (CHEMBL4011356)	Inhibition of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50049259	80	ChEMBL_1661724 (CHEMBL4011336)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse A3AR expressed in HEK293T cells pre-incubated for 10 mins before radioligand addition and measured 90 mins after radioligand addition by micro beta scintillation counting analysis relative to control
50049259	82	ChEMBL_1661755 (CHEMBL4011367)	Displacement of [3H]Pentazocine from rat sigma 1 receptor
50035366	1	ChEBML_88806	Inhibitory activity against Escherichia coli Isoleucyl-tRNA synthetase was determined
50035366	2	ChEBML_105279	Inhibitory activity against Escherichia coli Methionyl-tRNA synthetase was determined
50035367	1	ChEBML_157946	Binding affinity towards EP1 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	4	ChEBML_157947	Binding affinity towards EP2 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	7	ChEBML_158331	Inhibitory activity against human EP4 receptor expressed in HEK293 ebna cells
50035367	8	ChEBML_158022	Binding affinity towards IP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs
50035367	9	ChEMBL_157950 (CHEMBL765917)	Inhibitory activity against human EP4 receptor expressed in HEK293 ebna cells
50049259	78	ChEMBL_1661726 (CHEMBL4011338)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in CHO cells
50049259	100	ChEMBL_1661756 (CHEMBL4011368)	Displacement of [3H]DTG from rat sigma 2 receptor
50035369	2	ChEBML_206952	Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)
50035370	2	ChEBML_71414	Effective concentration against GR (glucocorticoid receptor)
50049259	71	ChEMBL_1661742 (CHEMBL4011354)	Inhibition of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035370	3	ChEMBL_36121 (CHEMBL647747)	Inhibitory activity against Androgen receptor
50049259	86	ChEMBL_1661753 (CHEMBL4011365)	Displacement of [3H]CGP12177 from human adrenergic beta3 receptor
50049259	92	ChEMBL_1661739 (CHEMBL4011351)	Inhibition of [3H]nisoxetine binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis
50035372	1	ChEBML_62142	Inhibition of binding of [3H]WIN-35 428 to (DAT) dopamine transporter in rat striatum
50049264	1	ChEBML_1661765	Inhibition of recombinant human IRAP expressed in GnT1 deficient HEK293S cells using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorimetric assay
50049264	2	ChEBML_1661763	Inhibition of recombinant human ERAP1 using L-leucine 7-amido-4-methyl coumarin as substrate by fluorimetric assay
50049264	3	ChEBML_1661764	Inhibition of recombinant human ERAP2 using L-arginyl-7-amido-4-methyl coumarin as substrate by fluorimetric assay
50049265	1	ChEBML_1661768	Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence polarization assay
50049265	2	ChEMBL_1661768 (CHEMBL4011380)	Inhibition of FAM-tagged p53-based PMDM6-F peptide binding to human recombinant His-tagged MDM2 (1 to 118 residues) after 30 mins by fluorescence polarization assay
50049263	4	ChEMBL_1662072 (CHEMBL4011753)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate measured after 15 mins by Ellman's method
50035375	3	ChEMBL_203058 (CHEMBL811562)	Inhibitory activity against steroid sulfatase (STS) using methodology of Li et al.
50049263	2	ChEMBL_1662079 (CHEMBL4011760)	Inhibition of AChE in human erythrocytes using acetylthiocholine chloride as substrate measured after 15 mins by Ellman's method
50035375	4	ChEBML_203055	Competitive inhibitory activity against steroid sulfatase (STS)
50035376	2	ChEBML_145249	Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells
50035376	3	ChEMBL_144660 (CHEMBL752673)	Ability to displace [125I]-Tyr14 at nociceptin (NOP) receptor
50035376	4	ChEBML_148102	Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells
50049263	3	ChEMBL_1662076 (CHEMBL4011757)	Inhibition of AChE in rat cortex homogenates using acetylthiocholine chloride as substrate measured after 15 mins by Ellman's method
50049263	1	ChEMBL_1662080 (CHEMBL4011761)	Inhibition of BuChE in human serum using butyrylthiocholine chloride as substrate measured after 15 mins by Ellman's method
50049263	5	ChEMBL_1662071 (CHEMBL4011752)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate measured after 15 mins by Ellman's method
50035377	1	ChEBML_44862	Compound was evaluated for inhibition against human carbonic anhydrase II
50035377	2	ChEBML_45273	Compound was evaluated for inhibition against bovine carbonic anhydrase IV
50035377	3	ChEBML_45440	Compound was evaluated for inhibition against human carbonic anhydrase IX
50035377	4	ChEBML_47506	Compound was evaluated for inhibition against human carbonic anhydrase I
50035379	1	ChEBML_45441	Inhibition against human carbonic anhydrase IX
50035379	2	ChEBML_47509	Inhibition against human carbonic anhydrase I
50035379	3	ChEBML_45073	Inhibition against human carbonic anhydrase II
50035380	3	ChEBML_41397	Selectivity tested against Beta-secretase 2 (BACE) in human
50049266	1	ChEMBL_1662115 (CHEMBL4011796)	Inhibition of Aurora B (unknown origin) measured after 40 mins by Kinase Glo luminescence assay
50049266	2	ChEMBL_1662116 (CHEMBL4011797)	Inhibition of VEGFR2 (unknown origin) measured after 40 mins by Kinase Glo luminescence assay
50049266	3	ChEMBL_1662113 (CHEMBL4011794)	Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay
50035382	1	ChEBML_159828	Tested for inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) in mouse using Cell protection assay
50035384	1	ChEMBL_32525 (CHEMBL641406)	Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human
50035384	2	ChEBML_32525	Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human
50049266	4	ChEMBL_1662117 (CHEMBL4011798)	Inhibition of RAF (unknown origin) measured after 40 mins by Kinase Glo luminescence assay
50049266	5	ChEMBL_1662118 (CHEMBL4011799)	Inhibition of c-MET (unknown origin) measured after 40 mins by Kinase Glo luminescence assay
50035386	1	ChEBML_159257	Inhibitory activity against Prostaglandin G/H synthase 1 in mice
50035386	2	ChEBML_3865	Inhibitory activity against murine lipoxygenase-2.
50035386	3	ChEBML_157829	Inhibitory activity against murine Prostaglandin G/H synthase 2.
50035386	4	ChEMBL_3864 (CHEMBL619380)	Inhibitory activity against lipoxygenase-2 in mice
50035386	5	ChEMBL_159257 (CHEMBL764084)	Inhibitory activity against Prostaglandin G/H synthase 1 in mice
50035386	6	ChEMBL_157830 (CHEMBL768571)	Inhibitory activity against cyclooxygenase-2 in micc
50049267	1	ChEMBL_1662268 (CHEMBL4011949)	Inhibition of CLK2 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	2	ChEMBL_1662136 (CHEMBL4011817)	Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system using FITC-labeled MCM2 peptide as substrate measured after 5 hrs in presence of 5 uM ATP
50049267	3	ChEMBL_1662267 (CHEMBL4011948)	Inhibition of CLK1 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	4	ChEMBL_1662269 (CHEMBL4011950)	Inhibition of GSK3alpha (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	5	ChEMBL_1662270 (CHEMBL4011951)	Inhibition of GSK3beta (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	6	ChEMBL_1662271 (CHEMBL4011952)	Inhibition of DYRK1A (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	7	ChEMBL_1662273 (CHEMBL4011954)	Inhibition of PIM1 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	8	ChEMBL_1662274 (CHEMBL4011955)	Inhibition of Erk1 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049267	9	ChEMBL_1662139 (CHEMBL4011820)	ATP competitive inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system using FITC-labeled MCM2 peptide as substrate measured after 5 hrs in presence of varying levels of ATP
50049267	10	ChEMBL_1662272 (CHEMBL4011953)	Inhibition of Erk2 (unknown origin) pretreated for 30 mins followed by substrate addition measured after 5 hrs in presence of 1 mM ATP
50049268	1	ChEBML_1662405	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay
50049268	2	ChEMBL_1662362 (CHEMBL4012043)	Antagonist activity at P2X7 receptor in LPS-stimulated human THP1 cells assessed as inhibition of LPS/BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP addition measured after 30 mins by ELISA
50049268	6	ChEMBL_1662361 (CHEMBL4012042)	Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced YO-PRO-1 Iodide uptake measured every 30 secs for 1 hr by fluorescence assay
50049268	5	ChEMBL_1662405 (CHEMBL4012086)	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay
50049268	3	ChEBML_1662406	Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay
50049268	4	ChEBML_1662407	Antagonist activity at mouse P2X7 receptor expressed in 1321N1 cells assessed as inhibition of agonist-induced calcium flux pretreated for 3 mins followed by BzATP addition after 3 mins measured every 1 sec for 60 secs and at 5 secs interval throughout testing by Flou-4-AM dye based FLIPR assay
50035389	2	ChEMBL_154914 (CHEMBL764689)	In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2
50035389	3	ChEBML_154916	In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2
50035391	1	ChEBML_49277	Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats
50035391	2	ChEMBL_49277 (CHEMBL660502)	Inhibition of [3H]choline brain uptake through choline transporter was determined in situ brain perfusion studies in Male Fischer-344 rats
50035392	1	ChEBML_44964	Compound was evaluated to inhibit cathepsin C (Dipeptidyl peptidase I) in non competitive binding assay
50035393	1	ChEMBL_204432 (CHEMBL814091)	Inhibitory activity against steroid sulfatase enzyme
50035393	2	ChEBML_203050	Inhibitory activity against steroid sulfatase enzyme
50035394	5	ChEMBL_214558 (CHEMBL820175)	Evaluated for binding affinity towards vasopressin receptor V1a in rat
50035394	8	ChEBML_215010	Evaluated for binding affinity towards vasopressin V2 receptor in rat
50035394	9	ChEMBL_214710 (CHEMBL817844)	Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human V2 receptor (Compound 7o)
50035394	10	ChEBML_214557	Evaluated for binding affinity towards vasopressin V1a receptor in rat
50049269	1	ChEMBL_1661840 (CHEMBL4011452)	Inhibition of CYP3A4 (unknown origin)
50049269	2	ChEMBL_1661842 (CHEMBL4011454)	Inhibition of CYP2C9 (unknown origin)
50049269	3	ChEMBL_1661843 (CHEMBL4011455)	Inhibition of CYP2C19 (unknown origin)
50049269	4	ChEMBL_1661841 (CHEMBL4011453)	Inhibition of CYP2D6 (unknown origin)
50049269	5	ChEMBL_1661844 (CHEMBL4011456)	Inhibition of CYP1A2 (unknown origin)
50049270	1	ChEMBL_1661882 (CHEMBL4011494)	Displacement of [3H]R-PLA from human adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation analyzer
50035396	1	ChEBML_38782	Agonist activity (EC50) was assessed by measuring cAMP levels in CHO cells expressing cloned human Beta-3 adrenergic receptor
50035397	1	ChEBML_45439	Inhibitory activity against human tumor-associated transmembrane carbonic anhydrase IX.
50049270	2	ChEMBL_1661884 (CHEMBL4011496)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis
50049270	3	ChEMBL_1661883 (CHEMBL4011495)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation analyzer
50035398	5	ChEMBL_201971 (CHEMBL804808)	Displacement of [3H]citalopram from serotonin transporter of rat brain membrane
50035399	2	ChEMBL_42943 (CHEMBL656309)	Ability to stimulate [3H]inositol phosphates accumulation in CHO cells expressing rat Calcium sensing receptor (CaSR) at 2 mM [Ca2+]
50035400	3	ChEMBL_104555 (CHEMBL718941)	Inhibition of matrix metalloprotease-2
50035400	4	ChEMBL_106461 (CHEMBL719133)	Inhibition of matrix metalloprotease-12
50035400	5	ChEMBL_106790 (CHEMBL873933)	Inhibition of matrix metalloprotease-14
50035400	6	ChEMBL_105526 (CHEMBL715235)	Inhibition of matrix metalloprotease-9
50035400	7	ChEMBL_104896 (CHEMBL715754)	Inhibition of matrix metalloprotease-3
50035400	8	ChEMBL_105211 (CHEMBL713850)	Inhibition of matrix metalloprotease-8
50049270	4	ChEMBL_1661888 (CHEMBL4011500)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as decrease in forskolin induced cAMP formation preincubated for 10 mins followed by forskolin challenge measured after 15 mins by AlphaScreen assay
50035401	1	ChEMBL_66596 (CHEMBL680027)	Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)
50035402	1	ChEMBL_68879 (CHEMBL678434)	Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C
50035402	2	ChEBML_68880	Compound tested for the inhibition of Gamma-glutamyltranspeptidase in rat kidney at pH 8.0 at 37 degree C (Competitive inhibition)
50035403	4	ChEBML_201448	Binding affinity to human sphingosine 1-phosphate receptor 4 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50035403	5	ChEBML_201331	Binding affinity to human sphingosine 1-phosphate receptor 3 expressed in CHO cells was determined by using [33P]-S1P as radioligand
50049271	25	ChEMBL_1661912 (CHEMBL4011524)	Inhibition of PDE3A (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured after 30 mins by IMAP assay
50049271	27	ChEMBL_1661910 (CHEMBL4011522)	Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured after 30 mins by IMAP assay
50049272	1	ChEBML_1662454	Inhibition of recombinant human N-terminal GST-fused PAK4 (1 to 591 residues) expressed in baculovirus expression system using S2 as substrate measured after 40 mins by HTRF assay
50049272	2	ChEBML_1662473	Inhibition of PAK1 (unknown origin) using S2 peptide as substrate
50049271	23	ChEMBL_1661914 (CHEMBL4011526)	Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in FAM-cGMP hydrolysis after 1 hr by fluorescence polarization assay
50049271	28	ChEMBL_1661931 (CHEMBL4011543)	Inhibition of human ERG
50049271	24	ChEMBL_1661913 (CHEMBL4011525)	Inhibition of PDE4D3 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured after 30 mins by IMAP assay
50049271	26	ChEMBL_1661911 (CHEMBL4011523)	Inhibition of PDE2A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured after 30 mins by IMAP assay
50049271	22	ChEMBL_1661915 (CHEMBL4011527)	Inhibition of N-terminal GST-tagged full length recombinant human PDE6C expressed in Baculovirus infected Sf9 insect cells
50049271	16	ChEMBL_1661919 (CHEMBL4011531)	Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay
50049271	19	ChEMBL_1661917 (CHEMBL4011529)	Inhibition of N-terminal GST-tagged full length recombinant human PDE8A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in FAM-cAMP hydrolysis after 1 hr by fluorescence polarization assay
50049271	17	ChEMBL_1661918 (CHEMBL4011530)	Inhibition of N-terminal GST-tagged full length recombinant human PDE9A2 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in FAM-cGMP hydrolysis after 1 hr by fluorescence polarization assay
50049271	20	ChEMBL_1661916 (CHEMBL4011528)	Inhibition of N-terminal GST-tagged recombinant human PDE7A1 (122-end residues) expressed in Baculovirus infected Sf9 insect cells assessed as decrease in FAM-cAMP hydrolysis after 1 hr by fluorescence polarization assay
50035404	1	ChEBML_124497	Inhibition of murine His-Mitogen-activated protein kinase p38 alpha phosphorylation.
50035404	2	ChEBML_51366	Inhibition of human cytochrome P450 1A2
50035404	3	ChEBML_158923	Inhibition of human prostaglandin G/H synthase 1
50035404	4	ChEBML_51922	Inhibition of human cytochrome P450 3A4
50035404	6	ChEBML_51542	Inhibition of human cytochrome P450 2C9
50035404	7	ChEBML_216692	Inhibit of human c-Jun N-terminal kinase 2
50035404	8	ChEBML_78745	Inhibition of human Epidermal growth factor receptor
50035404	9	ChEBML_105551	Inhibit of human Met proto-oncogene tyrosine kinase
50035404	10	ChEBML_51731	Inhibition of human cytochrome P450 2D6
50035405	3	ChEBML_1338	Affinity towards human 5-hydroxytryptamine 1B serotonin receptor
50035405	4	ChEBML_60490	Affinity towards human Dopamine receptor D1
50035405	5	ChEBML_139391	Affinity towards human Muscarinic acetylcholine receptor M5
50035405	6	ChEBML_31701	Affinity towards human adenosine A3 receptor
50035405	8	ChEBML_62114	Affinity towards human dopamine receptor D3
50035405	9	ChEBML_2486	Affinity towards human 5-hydroxytryptamine 2B serotonin receptor
50035405	10	ChEBML_139120	Affinity towards human Muscarinic acetylcholine receptor M4
50035405	12	ChEBML_3685	Affinity towards human 5-hydroxytryptamine 7 serotonin receptor
50035405	14	ChEBML_3579	Affinity towards human 5-hydroxytryptamine 5A serotonin receptor
50035405	15	ChEBML_85686	Affinity towards histamine H2 receptor
50035405	16	ChEBML_139642	Affinity towards human muscarinic acetylcholine receptor M2
50035405	17	ChEBML_60059	Affinity towards human dopamine receptor D2
50035405	18	ChEBML_145953	Affinity towards kappa opioid receptor
50035405	19	ChEBML_138401	Affinity towards human muscarinic acetylcholine receptor M1
50035405	20	ChEBML_63109	Affinity towards human dopamine receptor D4
50035405	21	ChEBML_138698	Affinity towards human muscarinic acetylcholine receptor M3
50049271	18	ChEMBL_1661920 (CHEMBL4011532)	Inhibition of N-terminal GST-tagged full length recombinant human PDE11A4 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in FAM-cAMP hydrolysis after 1 hr by fluorescence polarization assay
50035405	23	ChEBML_3610	Affinity towards human 5-hydroxytryptamine 6 serotonin receptor
50035405	24	ChEBML_61332	Affinity towards human dopamine receptor D5
50035405	25	ChEBML_27566	Affinity towards human adenosine A1 receptor
50035405	26	ChEBML_149314	Affinity towards opioid receptor mu 1
50035405	27	ChEBML_896	Affinity towards human 5-hydroxytryptamine 1A serotonin receptor
50035405	28	ChEBML_37402	Affinity towards human beta-1 adrenergic receptor
50035405	29	ChEBML_2957	Affinity towards human 5-hydroxytryptamine 2C serotonin receptor
50035405	31	ChEBML_84863	Affinity towards histamine H1 receptor
50035406	1	ChEBML_209231	Inhibitory activity against thrombin
50035407	1	ChEBML_143223	Binding affinity towards alpha3-beta4 neuronal nicotinic acetylcholine receptor
50035407	2	ChEBML_144330	Affinity for nicotinic acetylcholine receptor alpha7
50035408	1	ChEBML_47523	Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method
50035408	2	ChEBML_45233	Inhibitory activity against human carbonic anhydrase II (hCA II) by using esterase assay method
50035408	3	ChEBML_45446	Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method
50035408	4	ChEBML_45453	Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method
50035410	1	ChEBML_44891	Inhibitory activity of compound against human carbonic anhydrase II
50035410	2	ChEBML_47488	Inhibitory activity of compound against human carbonic anhydrase I
50035410	3	ChEBML_45255	Inhibitory activity of compound against bovine carbonic anhydrase IV
50035411	2	ChEBML_48600	Ability to displace 1 nM [3H]pCCK-8 from rat Cholecystokinin type B receptor stably expressing in CHO cells
50035412	1	ChEMBL_69142 (CHEMBL681266)	Inhibition of Fucosyltransferase 5 by the compound was evaluated; Weak competitive inhibition
50035412	2	ChEBML_69142	Inhibition of Fucosyltransferase 5 by the compound was evaluated; Weak competitive inhibition
50035413	1	ChEBML_68177	Inhibition of estrone sulfatase
50049271	15	ChEMBL_1661908 (CHEMBL4011520)	Inhibition of PDE5 (unknown origin)
50049271	21	ChEMBL_1661948 (CHEMBL4011560)	Inhibition of PDE1B (unknown origin)
50035415	6	ChEMBL_43652 (CHEMBL654078)	In vitro inhibitory activity against human calpain I; Not determined
50035416	1	ChEBML_210742	Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)
50035416	2	ChEBML_163040	Inhibition of c-Raf1 kinase
50049273	1	ChEBML_1661954	Inhibition of recombinant Tdp1 (unknown origin) assessed as decrease in hydrolysis of phosphodiester linkage between tyrosine residue and the 3' end of 5'-[32P]-DNA after 15 mins by PAGE analysis
50035416	4	ChEMBL_210741 (CHEMBL818317)	Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)
50035417	1	ChEBML_105506	Inhibition of matrix metalloprotease-9
50035417	2	ChEBML_104545	Inhibition of matrix metalloprotease-2
50035418	1	ChEBML_46656	Inhibitory activity against human recombinant Caspase-3 enzyme
50035418	2	ChEBML_46850	Compound was evaluated for its inhibitory activity against the Caspase-8 enzyme
50035418	3	ChEMBL_43498 (CHEMBL657769)	Compound was evaluated for its inhibitory activity against the Calpain 1 enzyme
50035418	4	ChEBML_46495	Compound was evaluated for its inhibitory activity against the Caspase-1 enzyme
50035418	5	ChEBML_43499	Compound was evaluated for its inhibitory activity against the Calpain-1 enzyme
50035418	6	ChEBML_48491	Compound was evaluated for its inhibitory activity against the Coagulation factor X
50035418	7	ChEBML_207957	Compound was evaluated for its inhibitory activity against the Thrombin
50035418	8	ChEBML_46690	Compound was evaluated for its inhibitory activity against the Caspase-6 enzyme
50035418	9	ChEBML_46709	Compound was evaluated for its inhibitory activity against the Caspase-7 enzyme
50035418	10	ChEBML_47405	Compound was evaluated for its inhibitory activity against Cathepsin B
50035418	11	ChEBML_46872	Compound was evaluated for its inhibitory activity against the Caspase-9 enzyme
50049273	2	ChEBML_1661955	Inhibition of recombinant human Tdp2 assessed as decrease in alpha 32P-cordycepin-3'-labeled DNA breaks after 15 mins by PAGE analysis
50049273	3	ChEBML_1661954	Inhibition of recombinant Tdp1 (unknown origin) assessed as decrease in hydrolysis of phosphodiester linkage between tyrosine residue and the 3' end of 5'-[32P]-DNA after 15 mins by PAGE analysis
50049272	7	ChEMBL_1662472 (CHEMBL4012153)	Inhibition of recombinant human N-terminal His6/GST-tagged PAK4 (295 to 591 residues) expressed in baculovirus infected Sf21 cells using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50049272	9	ChEMBL_1662454 (CHEMBL4012135)	Inhibition of recombinant human N-terminal GST-fused PAK4 (1 to 591 residues) expressed in baculovirus expression system using S2 as substrate measured after 40 mins by HTRF assay
50035421	1	ChEBML_160744	Inhibitory concentration against Protease
50049272	6	ChEMBL_1662474 (CHEMBL4012155)	Inhibition of recombinant human N-terminal His6-tagged PAK4 expressed in bacterial expression system by pyruvate kinase/LDH enzyme coupled assay
50049272	8	ChEMBL_1662471 (CHEMBL4012152)	Inhibition of myc-tagged PAK4 (unknown origin) using histone H3 as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins in presence of [gamma-32P]ATP by autoradiographic method
50035423	2	ChEBML_90870	Inhibitory activity against HIV-1 integrase
50049274	1	ChEMBL_1662502 (CHEMBL4012183)	Agonist activity at FFA1 (unknown origin)
50049275	1	ChEBML_1662514	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate pretreated for 5 mins followed by substrate addition measured by UV-vis spectrophotometric method
50035424	1	ChEBML_68769	Inhibition constant against Escherichia coli cyclopropane fatty acid synthase
50049275	2	ChEMBL_1662514 (CHEMBL4012195)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate pretreated for 5 mins followed by substrate addition measured by UV-vis spectrophotometric method
50035426	1	ChEBML_41188	Binding affinity against metallo-beta-lactamase bacillus cereus(BCII)
50049276	1	ChEBML_1662556	Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50049276	6	ChEMBL_1662545 (CHEMBL4012226)	Inhibition of CYP3A4 (unknown origin)
50049276	16	ChEMBL_1662556 (CHEMBL4012237)	Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50035428	1	ChEBML_201914	Inhibition of [3H](+)-pentazocine binding to Sigma receptor type 1
50049276	9	ChEMBL_1662520 (CHEMBL4012201)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50049276	4	ChEMBL_1662546 (CHEMBL4012227)	Inhibition of CYP2D6 (unknown origin)
50049276	11	ChEMBL_1662563 (CHEMBL4012244)	Inhibition of rat Nav1.7 expressed in HEK293T cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50049276	15	ChEMBL_1662548 (CHEMBL4012229)	Inhibition of CYP2C9 (unknown origin)
50035430	1	ChEBML_144040	Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes
50035430	3	ChEBML_3481	Response at rat 5-hydroxytryptamine 3a receptor expressed in xenopus oocytes
50035431	3	ChEBML_217570	Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1
50049276	13	ChEMBL_1662519 (CHEMBL4012200)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50049276	12	ChEMBL_1662562 (CHEMBL4012243)	Inhibition of mouse Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50049276	7	ChEMBL_1662522 (CHEMBL4012203)	Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50049276	3	ChEMBL_1662524 (CHEMBL4012205)	Inhibition of human Nav1.6 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50049276	2	ChEMBL_1662547 (CHEMBL4012228)	Inhibition of CYP1A2 (unknown origin)
50049276	10	ChEMBL_1662564 (CHEMBL4012245)	Inhibition of human Nav1.7 at resting/closed state expressed in HEK293 cells at -140 mV holding potential by manual whole cell patch clamp electrophysiology assay
50049276	14	ChEMBL_1662549 (CHEMBL4012230)	Inhibition of human hERG by patch clamp method
50049276	8	ChEMBL_1662521 (CHEMBL4012202)	Inhibition of human Nav1.1 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50049276	5	ChEMBL_1662523 (CHEMBL4012204)	Inhibition of human Nav1.4 expressed in HEK293 cells assessed as reduction in peak inward current by ionworks quattro electrophysiology assay
50035434	2	ChEBML_161760	Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle
50035435	2	ChEBML_123675	Displacement of [3H]aldosterone from human Mineralocorticoid receptor
50035435	4	ChEMBL_71117 (CHEMBL686298)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 294-554 nM
50035435	5	ChEBML_67369	Displacement of [3H]estradiol from human estrogen receptor alpha
50035435	7	ChEBML_159869	Displacement of [3H]progesterone from human Progesterone receptor
50035435	8	ChEMBL_71236 (CHEMBL680303)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 536-560 nM
50049278	1	ChEBML_1662649	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH
50049277	5	ChEMBL_1662569 (CHEMBL4012250)	Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometric method
50049277	6	ChEMBL_1662570 (CHEMBL4012251)	Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometric method
50035435	15	ChEMBL_71107 (CHEMBL679619)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 1382-1049 nM
50035435	17	ChEMBL_71109 (CHEMBL686057)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 150-220 nM
50035435	20	ChEMBL_71229 (CHEMBL682528)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 366-578 nM
50035435	22	ChEMBL_71238 (CHEMBL680305)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 6-7 nM
50035435	28	ChEMBL_71242 (CHEMBL683338)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 681-974 nM
50035435	29	ChEMBL_36587 (CHEMBL654204)	Displacement of [3H]mibolerone from human Androgen receptor
50035435	32	ChEMBL_71233 (CHEMBL680300)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 43-50 nM
50035435	35	ChEMBL_71241 (CHEMBL680308)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 639-673 nM
50035435	37	ChEMBL_71114 (CHEMBL686295)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 23-33 nM
50035435	40	ChEMBL_71113 (CHEMBL686061)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 215-217 nM
50035435	41	ChEMBL_71244 (CHEMBL683340)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 838-988 nM
50035435	42	ChEMBL_71108 (CHEMBL679620)	Displacement of [3H]dexamethasone from human Glucocorticoid receptor (GR); Value ranges from 1428-1433 nM
50049279	1	ChEBML_1662597	Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 10 mins followed by substrate addition measured for 15 mins by spectrophotometric method
50035436	6	ChEBML_36585	Antagonist activity for androgen receptor
50049279	3	ChEMBL_1662598 (CHEMBL4012279)	Competitive inhibition of bovine xanthine oxidase using varying levels of xanthine as substrate preincubated for 10 mins followed by substrate addition measured for 15 mins by Lineweaver-Burk plot/Dixon plot analysis
50035437	1	ChEBML_213046	Inhibitory activity against trypsin
50049279	2	ChEBML_1662603	Inhibition of xanthine oxidase (unknown origin)
50049279	4	ChEMBL_1662597 (CHEMBL4012278)	Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 10 mins followed by substrate addition measured for 15 mins by spectrophotometric method
50035437	4	ChEBML_210755	Inhibitory activity against Urokinase-type plasminogen activator
50035437	5	ChEBML_155589	Inhibitory activity against plasmin
50049280	1	ChEMBL_1662614 (CHEMBL4012295)	Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presence of [14C]-IPP by liquid scintillation counting method
50049280	2	ChEMBL_1662613 (CHEMBL4012294)	Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presence of [14C]-IPP by liquid scintillation counting analysis
50035437	6	ChEBML_209076	Inhibitory activity against thrombin
50035437	7	ChEBML_208226	Inhibitory activity against tissue type plasminogen activator
50049278	13	ChEMBL_1662647 (CHEMBL4012328)	Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 to 5 mins by patchXpress electrophysiology assay
50049278	14	ChEMBL_1662649 (CHEMBL4012330)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH
50049278	3	ChEMBL_1662681 (CHEMBL4012362)	Inhibition of human Nav1.6 expressed in HEK293 cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50049278	6	ChEMBL_1662668 (CHEMBL4012349)	Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with enzyme in presence of NADPH followed by substrate addition
50049278	11	ChEMBL_1662683 (CHEMBL4012364)	Inhibition of mouse Nav1.7 expressed in HEK293 cells measured after 3 to 5 mins by patchXpress electrophysiology assay
50049278	5	ChEMBL_1662679 (CHEMBL4012360)	Inhibition of human Nav1.4 expressed in HEK293 cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50049278	7	ChEMBL_1662700 (CHEMBL4012381)	Reversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH
50049278	12	ChEMBL_1662648 (CHEMBL4012329)	Inhibition of human Nav1.5 expressed in HEK293 cells incubated for 3 to 5 mins at -50 mV holding potential by patchXpress electrophysiology assay
50035437	8	ChEBML_49137	Inhibitory activity against Coagulation factor X
50035438	1	ChEBML_216398	Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporter
50035439	1	ChEBML_67350	Ability to activate estrogen receptor 1-mediated transcription.
50035439	3	ChEBML_67682	Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement.
50049278	9	ChEMBL_1662677 (CHEMBL4012358)	Inhibition of human Nav1.1 expressed in HEK293 cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50049278	4	ChEMBL_1662680 (CHEMBL4012361)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50049278	2	ChEMBL_1662682 (CHEMBL4012363)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50049278	10	ChEMBL_1662684 (CHEMBL4012365)	Inhibition of rat Nav1.7 expressed in HEK293T cells measured after 3 to 5 mins by patchXpress electrophysiology assay
50035440	1	ChEBML_45444	Inhibitory activity against human carbonic anhydrase IX
50035440	2	ChEBML_45083	Inhibitory activity against human carbonic anhydrase II
50035440	3	ChEBML_47519	Inhibitory activity against human carbonic anhydrase I
50035441	1	ChEBML_70678	KI for pyridoxal 5'-phosphate (PLP)-dependent Gamma-amino-N-butyrate transaminase at pH 7.4
50035442	1	ChEBML_45231	Inhibitory activity against human carbonic anhydrase II
50035442	2	ChEBML_45430	Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes
50035442	3	ChEBML_45445	Inhibitory activity against human carbonic anhydrase IX
50035442	4	ChEBML_47521	Inhibitory activity against human carbonic anhydrase I
50035443	1	ChEBML_87889	Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells
50035443	3	ChEBML_87863	Inhibitory activity against histone deacetylases (HDAC1) prepared from mouse melanoma B16/BL6 cells
50035443	4	ChEBML_88030	Inhibitory activity against histone deacetylase 8 prepared from mouse melanoma B16/BL6 cells
50035443	5	ChEBML_88025	Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells
50035443	6	ChEBML_87708	Inhibitory activity against histone deacetylases (HDAC) prepared from mouse melanoma B16/BL6 cells; Not tested
50049278	8	ChEMBL_1662678 (CHEMBL4012359)	Inhibition of human Nav1.3 expressed in CHO cells assessed as use-dependent block at pulse 26 after 3 to 8 mins by ionworks quattro electrophysiology assay
50035444	1	ChEMBL_151559 (CHEMBL756857)	Time dependent inhibition of hydrolysis of nitrocefin after 5 min pre-incubation with P99 beta-lactamases (class C)
50035444	2	ChEBML_151558	Inhibition of hydrolysis of nitrocefin after 5 min pre-incubation with P99 beta-lactamases (class C)
50049281	1	ChEMBL_1662711 (CHEMBL4012392)	Inhibition of recombinant full-length human N-terminal GST tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using L-kynurenine as substrate measured after 2 hrs in presence of NADPH by RapidFire mass spectrometric method
50049281	2	ChEMBL_1662712 (CHEMBL4012393)	Inhibition of full length human KMO expressed in HEK293 cells using L-kynurenine as substrate measured after 20 hrs by LC-MS/MS method
50035445	4	ChEBML_147053	Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.
50035445	1	ChEBML_149008	Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.
50049281	3	ChEMBL_1662733 (CHEMBL4012414)	Inhibition of KMO in rat brain homogenates using kynurenine as substrate measured after 5 to 30 mins
50049281	4	ChEMBL_1662734 (CHEMBL4012415)	Inhibition of Pseudomonas fluorescens KMO
50049281	5	ChEMBL_1662735 (CHEMBL4012416)	Inhibition of recombinant full-length human GST tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate in presence of NADPH by RapidFire mass spectrometric method
50049281	6	ChEMBL_1662736 (CHEMBL4012417)	Inhibition of rat KMO
50049282	1	ChEBML_1662738	Inhibition of human BRD4-BD1 (49 to 170 residues) expressed in Escherichia coli BL21(DE3) using N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(biotin) as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by AlphaScreen assay
50035447	1	ChEBML_178951	Inhibition of uptake of 5-HT in rat brain cortex
50035447	2	ChEBML_178953	Inhibition of uptake of noradrenaline in rat brain hypothalamus
50035447	3	ChEBML_178952	Inhibition of uptake of dopamine (DA) rat brain striatum
50035447	4	ChEBML_90012	In vivo inhibition of uptake of 5-HT in human platelets
50035448	1	ChEBML_197193	Tested for inhibition against S-adenosyl-L-methionine decarboxylase from rat liver
50035449	1	ChEBML_31305	Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)
50049282	2	ChEMBL_1662738 (CHEMBL4012419)	Inhibition of human BRD4-BD1 (49 to 170 residues) expressed in Escherichia coli BL21(DE3) using N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(biotin) as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by AlphaScreen assay
50035451	1	ChEMBL_52528 (CHEMBL665300)	Cytidine Deaminase Inhibition in mouse Kidney
50035451	2	ChEMBL_52525 (CHEMBL665297)	Cytidine Deaminase Inhibition in human liver
50049284	1	ChEMBL_1662765 (CHEMBL4012446)	Inhibition of ALK5 in human Calu6 cells assessed as reduction in Smad2/3 phosphorylation
50049284	2	ChEMBL_1662763 (CHEMBL4012444)	Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSIRCSS[PO4]VS peptide as substrate after 90 mins by LanthaScreen TR-FRET assay
50049284	3	ChEMBL_1662764 (CHEMBL4012445)	Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lactamase reporter gene assay
50035457	1	ChEMBL_152418 (CHEMBL763765)	The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase; 50% inhibition was not achieved at 10e-3 M
50035459	1	ChEBML_210443	Inhibitory activity against human thromboxane synthetase
50035460	1	ChEBML_210444	Inhibitory activity against Thromboxane synthetase
50049284	4	ChEMBL_1662771 (CHEMBL4012452)	Inhibition of CYP2C8 (unknown origin)
50049284	5	ChEMBL_1662772 (CHEMBL4012453)	Inhibition of CYP3A4 (unknown origin)
50035465	1	ChEBML_47238	Compound was tested for inhibition of Catechol O-methyltransferase using radiochemical assay
50035468	1	ChEBML_33548	Alpha-1 adrenergic receptor agonist activity in rabbit ear artery
50035471	1	ChEBML_52526	Binding affinity against cytidine deaminase of mouse kidney
50035471	2	ChEBML_52523	Binding affinity against cytidine deaminase of human liver
50035472	1	ChEBML_152573	In vitro inhibitory activity against human phenylethanolamine N-methyl-transferase
50049285	1	ChEBML_1662802	Inhibition of human CYP11B1 expressed in HEK293A cells
50049285	2	ChEBML_1662805	Inhibition of rat CYP11B2
50049285	3	ChEBML_1662801	Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after 2 hrs by HTRF assay
50049285	4	ChEMBL_1662800 (CHEMBL4012481)	Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition measured after 1 hr by HTRF assay
50049285	5	ChEMBL_1662801 (CHEMBL4012482)	Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after 2 hrs by HTRF assay
50049285	6	ChEMBL_1662802 (CHEMBL4012483)	Inhibition of human CYP11B1 expressed in HEK293A cells
50035476	1	ChEMBL_32228 (CHEMBL645747)	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP
50035476	3	ChEMBL_32056 (CHEMBL644154)	Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, competitive inhibition
50035476	5	ChEBML_32228	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP
50035476	6	ChEMBL_32231 (CHEMBL645750)	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of ATP
50035476	9	ChEMBL_32229 (CHEMBL645748)	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of AMP competitive inhibition
50035476	10	ChEMBL_32057 (CHEMBL644155)	Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP
50035476	11	ChEMBL_32054 (CHEMBL644153)	Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP
50035476	14	ChEMBL_32233 (CHEMBL645752)	Inhibitory activity against rat Adenylate kinase M isoenzyme in the presence of ATPnon competitive inhibition
50035476	15	ChEMBL_32053 (CHEMBL644152)	Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive and non competitive inhibition
50049286	1	ChEMBL_1662819 (CHEMBL4012500)	Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in Freestyle293F cells measured after 3 hrs dextran/charcoal based method
50035477	2	ChEMBL_160380 (CHEMBL765726)	Inhibition of rat muscle pyruvate kinase (PK-M) at 10 mM
50035477	3	ChEBML_160380	Inhibition of rat muscle pyruvate kinase (PK-M) at 10 mM
50035477	4	ChEMBL_160244 (CHEMBL767858)	Inhibition of rat kidney pyruvate kinase (PK-L)
50049286	2	ChEMBL_1662820 (CHEMBL4012501)	Agonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells after 24 hrs by MMTV-promoter driven luciferase reporter gene assay
50049287	1	ChEBML_1662832	Inhibition of BRD4 (unknown origin) by fluorescence polarization assay
50035477	7	ChEBML_160251	Inhibition of rat liver pyruvate kinase (PK-L) at 3.6 mM
50035478	2	ChEMBL_54608 (CHEMBL667330)	Tested for inhibition of dihydrofolate reductase enzyme from mouse
50049283	3	ChEMBL_1663475 (CHEMBL4013156)	Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated for 30 mins followed by substrate addition measured after 25 mins by HTFR assay
50049283	4	ChEMBL_1663485 (CHEMBL4013166)	Inhibition of human N-terminal GST-fused EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus using TK-substrate-biotin incubated for 2 to 90 mins by HTFR assay
50035483	12	ChEMBL_145902 (CHEMBL750391)	Inhibitory potency against Opioid receptor delta 1 in mouse vas deferens assay
50049288	1	ChEMBL_1663491 (CHEMBL4013172)	Inhibition of recombinant human MCF7 cells derived His-tagged GAC (L123 to S598 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by glutamate dehydrogenase coupled enzyme assay
50035483	13	ChEBML_145901	Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay
50049288	2	ChEMBL_1663490 (CHEMBL4013171)	Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by glutamate dehydrogenase coupled enzyme assay
50035483	15	ChEBML_147115	Inhibitory potency against Opioid receptor mu 1 in mouse vas deferens assay
50049288	3	ChEMBL_1663489 (CHEMBL4013170)	Inhibition of recombinant human His-tagged GAB (P56 to V602 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by glutamate dehydrogenase coupled enzyme assay
50049289	1	ChEMBL_1663576 (CHEMBL4013257)	Inhibition of AChE (unknown origin)
50049289	2	ChEMBL_1663552 (CHEMBL4013233)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every minute for 10 mins by Ellman's spectrophotometric method
50049289	3	ChEMBL_1663551 (CHEMBL4013232)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every minute for 10 mins by Ellman's spectrophotometric method
50035486	8	ChEMBL_75662 (CHEMBL683308)	Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain
50049290	1	ChEMBL_1663583 (CHEMBL4013264)	Inhibition of human ADAMTS4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen assay
50049290	2	ChEMBL_1663584 (CHEMBL4013265)	Inhibition of human ADAMTS5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs by Alphascreen assay
50049290	3	ChEMBL_1663589 (CHEMBL4013270)	Inhibition of human MMP13 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay
50049290	4	ChEMBL_1663590 (CHEMBL4013271)	Inhibition of human MMP14 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay
50035487	2	ChEBML_122943	Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase A.
50035487	4	ChEBML_123925	Compound was tested in vitro for inhibition of rat brain mitochondrial monoamine oxidase B
50035488	1	ChEBML_32036	Ability to inhibit Escherichia coli adenylate kinase II, activity expressed as Inhibition constant
50035488	2	ChEMBL_32199 (CHEMBL648978)	Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition
50035488	3	ChEBML_32046	Ability to inhibit rat adenylate kinase II, activity expressed as Inhibition constant
50035488	4	ChEMBL_32198 (CHEMBL648977)	Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition
50035488	5	ChEBML_32194	Ability to inhibit Escherichia coli adenylate kinase III, activity expressed as Inhibition constant; Non competitive inhibition
50035488	6	ChEBML_32198	Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant; Competitive inhibition
50035489	1	ChEMBL_52868 (CHEMBL666227)	Competitive inhibition of mammalian dihydrofolate reductase
50035489	2	ChEBML_52868	Competitive inhibition of mammalian dihydrofolate reductase
50049290	5	ChEMBL_1663585 (CHEMBL4013266)	Inhibition of human ADAMTS5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide as substrate after 3 hrs in the presence of 50% Lewis rat plasma by Alphascreen assay
50035491	1	ChEBML_196256	Competitive inhibition of renin from human amniotic protein
50049290	6	ChEMBL_1663586 (CHEMBL4013267)	Inhibition of human MMP2 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay
50035492	3	ChEMBL_32062 (CHEMBL644160)	Non competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined
50035492	5	ChEMBL_32203 (CHEMBL648982)	Non competitive binding inhibition constant of rat aAdenylate kinase III was determined
50035492	8	ChEMBL_32200 (CHEMBL648979)	Competitive binding inhibition constant of rat Adenylate kinase III was determined
50035492	9	ChEMBL_32204 (CHEMBL648983)	Non competitive binding inhibition of rat adenylate kinase IIl was determined
50035492	10	ChEMBL_32048 (CHEMBL644148)	Competitive binding inhibition constant(Ki) of rat adenylate kinase (AK II) isozymes was determined
50035492	11	ChEMBL_32201 (CHEMBL648980)	Competitive binding inhibition constant of rat adenylate kinase IIl was determined
50035492	12	ChEMBL_32047 (CHEMBL644147)	Competitive binding inhibition constant (Ki) of rat adenylate kinase (AK II) isozymes was determined
50049290	7	ChEMBL_1663587 (CHEMBL4013268)	Inhibition of human MMP3 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay
50035493	2	ChEBML_123826	Competitive inhibition against rat mitochondrial thymidine kinase
50035493	4	ChEMBL_208201 (CHEMBL819103)	Competitive inhibition against rat cytoplasmic thymidine kinase
50049290	8	ChEMBL_1663588 (CHEMBL4013269)	Inhibition of human MMP12 using Mca-PQGL-(3-[2, 4-dinitrophenyl]-L-2, 3-diaminopropionyl)-AR-OH as substrate after 2 to 4 hrs by fluorescence assay
50049291	1	ChEMBL_1663608 (CHEMBL4013289)	Inhibition of recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in expressed in Escherichia coli(Rosetta) using cobra venom factor-factor B complex as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by ELISA
50049291	2	ChEBML_1663609	Inhibition of human kallikrein 7
50049291	3	ChEBML_1663612	Inhibition of human coagulation factor 10a
50049291	4	ChEBML_1663613	Inhibition of human thrombin
50049291	5	ChEBML_1663615	Inhibition of human neutrophil elastase
50049291	6	ChEBML_1663616	Antagonist activity at adenosine 3 receptor (unknown origin)
50049291	17	ChEMBL_1663644 (CHEMBL4013325)	Inhibition of recombinant human complement factor D catalytic domain (G24 to A253 residues) expressed in expressed in Escherichia coli(Rosetta) using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein probe based spectrofluorimetric assay
50049291	18	ChEMBL_1663631 (CHEMBL4013312)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate
50049291	8	ChEBML_1663621	Inhibition of CYP3A4 (unknown origin)
50049291	9	ChEBML_1663622	Inhibition of CYP2D6 (unknown origin)
50049291	10	ChEMBL_1663630 (CHEMBL4013311)	Inhibition of complement factor D in human whole blood assessed as decrease in zymosan-induced AP activation mediated soluble MAC complex formation preincubated for 15 mins followed by zymosan addition measured after 40 mins by ELISA
50049291	12	ChEMBL_1663607 (CHEMBL4013288)	Inhibition of recombinant human complement factor D catalytic domain using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein probe based spectrofluorimetric assay
50049291	19	ChEMBL_1663619 (CHEMBL4013300)	Inhibition of dofetilide binding to human ERG
50049291	11	ChEBML_1663631	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate
50035496	6	ChEBML_85641	Evaluated for the inhibition constant Ki against Hexokinase, type II
50035497	1	ChEBML_32050	Competitive inhibitory constant with Rat adenylate kinase II isozyme
50035497	2	ChEMBL_32211 (CHEMBL875019)	Competitive Inhibitory constant with Rat adenylate kinase IIl
50035497	3	ChEMBL_32225 (CHEMBL646737)	Non-competitive inhibitory constant of compound with Rat adenylate kinase M isozyme
50035497	4	ChEBML_32217	Non-competitive/Competitive inhibitory constant of compound with Rat adenylate kinase IIl
50035497	5	ChEMBL_32216 (CHEMBL649601)	Non-competitive inhibitory constant of compound with Rat adenylate kinase IIl
50035497	6	ChEMBL_32050 (CHEMBL644150)	Competitive inhibitory constant with Rat adenylate kinase II isozyme
50035497	7	ChEMBL_32217 (CHEMBL649602)	Non-competitive/Competitive inhibitory constant of compound with Rat adenylate kinase IIl
50035497	8	ChEBML_32222	Competitive inhibitory constant with Rat adenylate kinase M isozyme
50035497	9	ChEMBL_32226 (CHEMBL646738)	Noncompetitive inhibitory constant of compound with Rat adenylate kinase M isozyme
50035497	10	ChEMBL_32065 (CHEMBL644163)	Non-competitive/Competitive inhibitory constant of compound with Rat adenylate kinase II isozyme
50035497	11	ChEMBL_32221 (CHEMBL873064)	Competitive Inhibitory constant of compound with Rat adenylate kinase M isozyme
50035497	12	ChEMBL_32224 (CHEMBL646736)	Non-competitive Inhibitory constant of compound with Rat adenylate kinase M isozyme
50035498	1	ChEBML_54897	In vitro inhibition of Dihydrofolate reductase activity against Lactobacillus casei enzyme
50049291	20	ChEMBL_1663621 (CHEMBL4013302)	Inhibition of CYP3A4 (unknown origin)
50049291	13	ChEBML_1663607	Inhibition of recombinant human complement factor D catalytic domain using Z-Lys-thiobenzylester as substrate preincubated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein probe based spectrofluorimetric assay
50049287	2	ChEMBL_1662831 (CHEMBL4012512)	Inhibition of CREBBP (unknown origin) by FRET assay
50049287	5	ChEMBL_1662837 (CHEMBL4012518)	Displacement of [3H]prazosin from recombinant human adrenergic A1a receptor after 60 mins by scintillation counting method
50049287	6	ChEMBL_1662832 (CHEMBL4012513)	Inhibition of BRD4 (unknown origin) by fluorescence polarization assay
50049287	3	ChEMBL_1662841 (CHEMBL4012522)	Inhibition of human BRD4 by fluorescence polarization assay
50035500	1	ChEBML_39161	Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart.
50049287	4	ChEMBL_1662840 (CHEMBL4012521)	Inhibition of human CREBBP by FRET assay
50035502	1	ChEBML_51026	Inhibition of human placental aromatase Cytochrome P450 19A1
50049292	1	ChEMBL_1662859 (CHEMBL4012540)	Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells
50049292	2	ChEMBL_1662860 (CHEMBL4012541)	Displacement of [3H]Spiperone from human D2S receptor expressed in CHO cells
50049292	3	ChEMBL_1662861 (CHEMBL4012542)	Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay
50049292	4	ChEMBL_1662858 (CHEMBL4012539)	Displacement of [3H]Spiperone from dopamine D3 receptor (unknown origin)
50049293	1	ChEBML_1662941	Inhibition of cKIT (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50035505	2	ChEBML_196267	Inhibitory activity against human amniotic renin (competitive inhibition)
50049293	2	ChEBML_1662939	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50035507	1	ChEMBL_30802 (CHEMBL645078)	In vitro inhibition of adenosine deaminase in calf intestinal mucosa
50035507	2	ChEMBL_31097 (CHEMBL640453)	The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase
50035507	3	ChEMBL_31098 (CHEMBL640454)	The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase.
50049293	16	ChEMBL_1662941 (CHEMBL4012622)	Inhibition of cKIT (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50049293	4	ChEBML_1662983	Inhibition of human His-tagged FLT3 (564 to 958 residues) expressed in baculovirus by ELISA
50049293	5	ChEBML_1662979	Inhibition of human His-tagged PDGFRbeta (558 to 1106 residues) expressed in baculovirus by ELISA
50049291	16	ChEMBL_1663618 (CHEMBL4013299)	Inhibition of COX1 (unknown origin)
50049291	15	ChEMBL_1663645 (CHEMBL4013326)	Binding affinity to recombinant human 15-N labeled complement factor D catalytic domain (G24 to A253 residues) expressed in expressed in Escherichia coli(Rosetta) by 1H-15N HSQC NMR analysis
50049291	14	ChEMBL_1663614 (CHEMBL4013295)	Inhibition of human plasma kallikrein
50049294	1	ChEMBL_1663046 (CHEMBL4012727)	Inhibition CRAF in human Calu6 cells assessed as decrease in MEK phosphorylation after 2 hrs by HTRF method
50049293	17	ChEMBL_1662939 (CHEMBL4012620)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50035510	1	ChEBML_67841	Inhibition of bovine estrogen sulfotransferase by the compound
50049293	12	ChEMBL_1662938 (CHEMBL4012619)	Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50049293	14	ChEMBL_1662977 (CHEMBL4012658)	Inhibition of human full length His-tagged CSF1R expressed in baculovirus by Z'Lyte assay
50049293	10	ChEMBL_1662940 (CHEMBL4012621)	Inhibition of FGFR1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50035512	1	ChEBML_35220	In vitro antihypertensive activity determined by inhibition of angiotensin I converting enzyme
50049293	7	ChEMBL_1662943 (CHEMBL4012624)	Inhibition of FLT3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50049293	11	ChEMBL_1662981 (CHEMBL4012662)	Inhibition of human GST-tagged FLT1 (781 to 1338 residues) expressed in baculovirus by ELISA
50049293	9	ChEMBL_1662985 (CHEMBL4012666)	Inhibition of human GST-tagged FLT4 (800 to 1297 residues) expressed in baculovirus by ELISA
50049293	15	ChEMBL_1662944 (CHEMBL4012625)	Inhibition of VEGFR1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50035516	3	ChEBML_68597	In vitro affinity for GABA binding sites on purified synaptic membranes from rat brain
50049293	18	ChEMBL_1663028 (CHEMBL4012709)	Inhibition of human ERG expressed in CHO cells by whole cell patch clamp assay
50049293	13	ChEMBL_1662945 (CHEMBL4012626)	Inhibition of VEGFR3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50049293	8	ChEMBL_1662942 (CHEMBL4012623)	Inhibition of PDGFRbeta (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by mobility shift assay
50049293	6	ChEMBL_1662987 (CHEMBL4012668)	Inhibition of human GST-tagged RET (658 to 1114 residues) expressed in baculovirus by ELISA
50049294	2	ChEMBL_1663099 (CHEMBL4012780)	Inhibition of CRAF in human Calu6 cells assessed as decrease in ERK phosphorylation
50049294	3	ChEMBL_1663100 (CHEMBL4012781)	Inhibition of full-length BRAF (unknown origin)
50049294	4	ChEMBL_1663102 (CHEMBL4012783)	Stimulation of BRAF-CRAF dimerization in human HCT116 cells by luciferase complementation assay
50049295	5	ChEMBL_1663148 (CHEMBL4012829)	Positive allosteric modulation of recombinant rat GluN1/GluN2C receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50049295	6	ChEMBL_1663147 (CHEMBL4012828)	Positive allosteric modulation of recombinant rat GluN1/GluN2B receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50049295	7	ChEMBL_1663149 (CHEMBL4012830)	Positive allosteric modulation of recombinant rat GluN1/GluN2D receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50049295	1	ChEBML_1663148	Positive allosteric modulation of recombinant rat GluN1/GluN2C receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50035521	3	ChEBML_33098	Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex
50035521	5	ChEBML_33039	Displacement of [3H]- clonidine radioligand binding at the alpha-2 adrenergic receptor binding site of calf cerebral cortex
50049295	2	ChEBML_1663149	Positive allosteric modulation of recombinant rat GluN1/GluN2D receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50049295	3	ChEBML_1663163	Positive allosteric modulation of recombinant rat GluN1/GluN2B receptor expressed in xenopus laevis oocyte assessed as potentiation of glycine-induced current response by whole cell voltage clamp method
50049295	4	ChEBML_1663147	Positive allosteric modulation of recombinant rat GluN1/GluN2B receptor expressed in xenopus laevis oocyte assessed as potentiation of glutamate and glycine-induced current response at holding potential -40mV by two electrode voltage clamp method
50049297	1	ChEBML_1663192	Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50049297	2	ChEBML_1663191	Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50035524	3	ChEBML_217391	Effective concentration that gives maximal stimulation of cyclic AMP production over the concentration range tested.
50049297	3	ChEBML_1663190	Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50049297	8	ChEMBL_1663190 (CHEMBL4012871)	Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50049297	7	ChEMBL_1663193 (CHEMBL4012874)	Antagonist activity at human adenosine receptor A2B expressed in CHO cell membranes assessed as inhibition of NECA-induced increase of cAMP accumulation preincubated for 10 mins followed by NECA addition measured after 10 mins by GloSensor cAMP assay
50049297	9	ChEMBL_1663191 (CHEMBL4012872)	Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50049297	10	ChEMBL_1663192 (CHEMBL4012873)	Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method
50035526	1	ChEBML_148541	The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).
50049297	4	ChEMBL_1663200 (CHEMBL4012881)	Displacement of [3H]PSB-603 from human adenosine receptor A2B in CHO cells after 75 mins by liquid scintillation method
50049297	6	ChEMBL_1663194 (CHEMBL4012875)	Antagonist activity at human adenosine receptor A2A expressed in CHO cell membranes assessed as inhibition of NECA-induced increase of cAMP accumulation preincubated for 10 mins followed by NECA addition measured after 10 mins by GloSensor cAMP assay
50049297	5	ChEMBL_1663195 (CHEMBL4012876)	Agonist activity at human adenosine receptor A2B expressed in CHO cell membranes assessed as forskolin-stimulated cAMP accumulation preincubated for 20 mins followed by forskolin addition measured after 10 mins by liquid scintillation counter method
50049298	1	ChEMBL_1663210 (CHEMBL4012891)	Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay
50049298	2	ChEMBL_1663214 (CHEMBL4012895)	Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced Wnt-dependent increase in beta-catenin preincubated for 1 hr followed by wnt3a ligand stimulation for 24 hrs by luciferase reporter gene assay
50049298	3	ChEMBL_1663209 (CHEMBL4012890)	Binding affinity to PARP16 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	4	ChEMBL_1663203 (CHEMBL4012884)	Binding affinity to PARP1 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	5	ChEMBL_1663204 (CHEMBL4012885)	Binding affinity to PARP2 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	6	ChEMBL_1663205 (CHEMBL4012886)	Binding affinity to PARP4 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	7	ChEMBL_1663208 (CHEMBL4012889)	Binding affinity to PARP14 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	8	ChEMBL_1663217 (CHEMBL4012898)	Inhibition of human PARP1 using biotin-histone as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr in presence of NAD
50049298	9	ChEMBL_1663231 (CHEMBL4012912)	Inhibition of human PDE3A
50049298	10	ChEMBL_1663232 (CHEMBL4012913)	Inhibition of human OATP1B1
50049298	11	ChEMBL_1663233 (CHEMBL4012914)	Inhibition of human serotonin receptor 3
50049298	12	ChEMBL_1663234 (CHEMBL4012915)	Inhibition of human alpha1 nAChR
50049298	13	ChEMBL_1663216 (CHEMBL4012897)	Inhibition of His-tagged TNKS1 (1091 to 1325 residues) (unknown origin) assessed as reduction in PARsylation of GST-tev-Axin2 preincubated for 30 mins followed by GST-tev-Axin2 addition measured after 2 hrs in presence of NAD
50049298	14	ChEMBL_1663213 (CHEMBL4012894)	Binding affinity to PARP10 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	15	ChEMBL_1663206 (CHEMBL4012887)	Binding affinity to PARP11 in human Jurkat cell extract after 45 mins by mass spectrometric analysis
50049298	16	ChEMBL_1663229 (CHEMBL4012910)	Inhibition of human PI3Kgamma
50035534	1	ChEBML_50810	Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP
50035536	5	ChEMBL_98402 (CHEMBL706599)	Compound was evaluated for the inhibition of Leucine aminopeptidase and the inhibition constant was determined after preincubating the enzyme and inhibitor
50035536	12	ChEMBL_98403 (CHEMBL706600)	Compound was evaluated for the inhibition of Leucine aminopeptidase from porcine kidney and the inhibition constant was determined after preincubating the enzyme and inhibitor
50049298	17	ChEMBL_1663230 (CHEMBL4012911)	Inhibition of human ERG
50049299	1	ChEBML_1663372	Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorogenic assay
50049296	6	ChEMBL_1663651 (CHEMBL4013332)	Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by Fluo-4-dye based FLIPR assay
50049296	4	ChEMBL_1663654 (CHEMBL4013335)	Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by Fluo-4-dye based FLIPR assay
50049296	5	ChEMBL_1663652 (CHEMBL4013333)	Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by Fluo-4-dye based FLIPR assay
50035542	1	ChEBML_216940	Compound is evaluated for competitive inhibition against xanthine oxidase from cow's milk
50035551	1	ChEBML_35992	In vitro inhibitory activity against Angiotensin I converting enzyme
50035551	2	ChEBML_36014	In vitro inhibitory activity against Angiotensin I converting enzyme
50035552	1	ChEBML_34794	In vitro inhibition of angiotensin I converting enzyme from rabbit lung
50049300	1	ChEMBL_1663697 (CHEMBL4013378)	Agonist activity at ryanodine receptor in Hemicentrotus pulcherrimus egg homogenate assessed as increase in intracellular calcium mobilization by Fluo-3 dye based fluorimetric assay
50049301	1	ChEMBL_1663821 (CHEMBL4013502)	Inhibition of human wild type full length N-terminal GST/6His-tagged ABL (P118 to S535 residues) expressed in Sf9 cells using abltide as substrate after 5 mins in presence of [gamma-32P]ATP by scintillation counting
50049301	2	ChEMBL_1663822 (CHEMBL4013503)	Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src peptide as substrate after 5 mins in presence of [gamma-32P]ATP by scintillation counting method
50049302	11	ChEMBL_1663870 (CHEMBL4013551)	Inhibition of recombinant human N-terminal His-tagged full length PRMT7 expressed in baculovirus using of histone H4 as substrate preincubated for 15 mins followed by substrate/[3H]-SAM addition measured after 240 mins
50049302	16	ChEMBL_1663864 (CHEMBL4013545)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using histone H4 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	12	ChEMBL_1663872 (CHEMBL4013553)	Inhibition of DOT1L (unknown origin) using biotinylated H3K79me2 as substrate preincubated for 15 mins followed by substrate/ SAM addition measured after 30 mins by Alpha LISA assay
50049302	1	ChEBML_1663864	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using histone H4 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	13	ChEMBL_1663865 (CHEMBL4013546)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using histone H4 as substrate in presence of [3H]-SAM after 60 mins by chemiluminescent assay
50049302	2	ChEBML_1663868	Inhibition of recombinant human N-terminal FLAG-tagged PRMT4 (2 to end residues) expressed in HEK293F cells using of histone H4 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	3	ChEBML_1663869	Inhibition of recombinant human N-terminal His-tagged PRMT6 (2 to 375 residues) expressed in Escherichia coli using of histone H3 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	4	ChEBML_1663871	Inhibition of recombinant human N-terminal FLAG-tagged PRMT8 (61 to 394 residues) expressed in baculovirus infected Sf9 cell expression system using of histone H3 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	5	ChEBML_1663873	Inhibition of NSD1 (unknown origin) preincubated for 15 mins followed by [3H]-SAM addition measured after 4 hrs by liquid scintillation counting
50049302	6	ChEBML_1663874	Inhibition of DNMT1 (unknown origin) using poly(dI-DC) as substrate preincubated for 15 mins followed by substrate/ [3H]-SAM addition measured after 120 mins
50049302	7	ChEBML_1663875	Inhibition of SET7/9 (unknown origin) after 60 mins by Alpha LISA assay
50049302	8	ChEBML_1663876	Inhibition of BRD4 (unknown origin) using SGRG-K(Ac)-GG-K(Ac)-GLG-K-(Ac)-GGA-K(Ac)-RHRKVGG-K(Biotin) peptide as substrate preincubated for 10 mins followed by substrate addition for 10 mins measured after 30 mins by Alpha LISA assay
50049302	9	ChEBML_1663877	Inhibition of GCN5 (unknown origin) using H3 as substrate and Ac-CoA as cofactor preincubated for 10 mins followed by substrate/cofactor addition measured after 30 mins by Alpha LISA assay
50049302	10	ChEBML_1663895	Binding affinity to PRMT5/MEP50 (unknown origin) by surface plasmon resonance assay
50049299	4	ChEMBL_1663372 (CHEMBL4013053)	Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorogenic assay
50049299	3	ChEMBL_1663376 (CHEMBL4013057)	Inhibition of acid ceramidase in human A375 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measured after 3 hrs by fluorogenic assay
50049299	2	ChEMBL_1663377 (CHEMBL4013058)	Inhibition of acid ceramidase in human G361 cells using fluorogenic substrate Rbm-14-12 preincubated for 2 hrs followed by substrate addition measured after 3 hrs by fluorogenic assay
50049303	17	ChEMBL_1663455 (CHEMBL4013136)	Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	1	ChEBML_1663455	Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	15	ChEMBL_1663465 (CHEMBL4013146)	Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -80 mV holding potential by two electrode voltage clamp method
50049303	13	ChEMBL_1663457 (CHEMBL4013138)	Antagonist activity at rat alpha3beta2 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	3	ChEBML_1663452	Antagonist activity at rat alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	10	ChEMBL_1663469 (CHEMBL4013150)	Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -70 mV holding potential by two electrode voltage clamp method
50049303	9	ChEMBL_1663459 (CHEMBL4013140)	Antagonist activity at rat alpha2beta2 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	2	ChEBML_1663454	Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	18	ChEMBL_1663454 (CHEMBL4013135)	Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049302	15	ChEMBL_1663867 (CHEMBL4013548)	Inhibition of human N-terminal GST-tagged PRMT3 (2 to end residues) expressed in Escherichia coli using histone H4 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
50049302	14	ChEMBL_1663866 (CHEMBL4013547)	Inhibition of recombinant human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 cell expression system using histone H4 as substrate in presence of [3H]-SAM after 60 mins by chemiluminescent assay
50049303	6	ChEMBL_1663471 (CHEMBL4013152)	Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 6 to 10 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	4	ChEMBL_1663462 (CHEMBL4013143)	Antagonist activity at rat alpha4beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	5	ChEMBL_1663461 (CHEMBL4013142)	Antagonist activity at rat alpha4beta2 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	14	ChEMBL_1663466 (CHEMBL4013147)	Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -80 mV holding potential by two electrode voltage clamp method
50049303	12	ChEMBL_1663468 (CHEMBL4013149)	Antagonist activity at rat alpha6/alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current at -70 mV holding potential by two electrode voltage clamp method
50049303	11	ChEMBL_1663458 (CHEMBL4013139)	Antagonist activity at mouse alpha1beta1epcilondelta nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	8	ChEMBL_1663470 (CHEMBL4013151)	Antagonist activity at rat alpha3beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 6 to 10 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	7	ChEMBL_1663460 (CHEMBL4013141)	Antagonist activity at rat alpha2beta4 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049303	16	ChEMBL_1663453 (CHEMBL4013134)	Antagonist activity at rat alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50049304	2	ChEMBL_1663976 (CHEMBL4013657)	Inhibition of human ERG by fluorescence polarization assay
50049305	1	ChEMBL_1664049 (CHEMBL4013730)	Binding affinity to recombinant human IL-15 by SPR assay
50035557	1	ChEBML_146763	Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 in rat brain homogenates.
50035558	1	ChEBML_210100	In vitro inhibitory activity against thromboxane A2 synthetase with lysed human platelets as the enzyme source.
50035558	2	ChEMBL_210100 (CHEMBL812850)	In vitro inhibitory activity against thromboxane A2 synthetase with lysed human platelets as the enzyme source.
50035558	4	ChEBML_157785	In vitro inhibitory activity against prostacyclin synthetase
50049305	2	ChEBML_1664050	Binding affinity to recombinant human IL-2 by SPR assay
50049305	5	ChEMBL_1664050 (CHEMBL4013731)	Binding affinity to recombinant human IL-2 by SPR assay
50049306	1	ChEBML_1664051	Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50049306	2	ChEBML_1664052	Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50049306	3	ChEBML_1664053	Agonist activity at mouse NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50035560	1	ChEBML_33549	Effective concentration (EC50) against alpha-1-adrenoceptor in the isolated rabbit ear artery
50035562	1	ChEBML_207779	Inhibitory activity against thromboxane B2 formation (TXA2 synthase) by incubating prostaglandin H2 (PGH-2) with horse platelet microsomes
50049306	4	ChEMBL_1664054 (CHEMBL4013735)	Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50049306	5	ChEMBL_1664052 (CHEMBL4013733)	Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50049306	6	ChEMBL_1664053 (CHEMBL4013734)	Agonist activity at mouse NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50049306	7	ChEMBL_1664051 (CHEMBL4013732)	Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay
50035564	1	ChEBML_34797	In vitro inhibitory activity against Angiotensin I converting enzyme
50049307	1	ChEBML_1664056	Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting
50049307	6	ChEMBL_1664056 (CHEMBL4013737)	Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting
50049307	2	ChEMBL_1664063 (CHEMBL4013744)	Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced GREB1 mRNA levels after 24 hrs by RT-PCR method
50049307	5	ChEMBL_1664059 (CHEMBL4013740)	Downregulation of human ERalpha in human MCF-7 cells after 24 hrs by in-cell Western immunoassay method
50049307	3	ChEMBL_1664064 (CHEMBL4013745)	Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced PgR mRNA levels after 24 hrs by RT-PCR method
50049307	4	ChEMBL_1664065 (CHEMBL4013746)	Downregulation of ERalpha in human MCF-7 cells assessed as reduction of estradiol-induced pS2 mRNA levels after 24 hrs by RT-PCR method
50035566	1	ChEBML_36003	Compound was evaluated for the inhibition of Angiotensin I converting enzyme
50035567	2	ChEBML_59783	Antagonist required to inhibit Dopamine receptor D2 photoinactivation by 50% with Iodazidoclebopride using [3H]spiperone
50035568	1	ChEBML_197214	Binding affinity against S-adenosyl-homocysteine hydrolase
50035570	1	ChEBML_28985	Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes
50035570	2	ChEBML_27639	Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 receptor
50035570	3	ChEMBL_27639 (CHEMBL639514)	Antagonism of cyclic [3H]AMP accumulation elicited by 15 uM 2-chloroadenosine in [3H]adenine-labeled guinea pig cerebral cortical slices at A2 receptor
50049308	1	ChEBML_1664077	Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by Fluo-4 dye based FLIPR assay
50049308	2	ChEBML_1664079	Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by Fluo-4 dye based FLIPR assay
50049308	11	ChEMBL_1664079 (CHEMBL4013760)	Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by Fluo-4 dye based FLIPR assay
50035571	6	ChEBML_155548	Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of guinea pig ventricle
50035571	7	ChEMBL_155551 (CHEMBL759849)	Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lung
50049308	3	ChEBML_1664081	Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 expressing HEK cells assessed as induction of beta-arrestin2 recruitment after 20 hrs by Tango assay
50049308	12	ChEMBL_1664075 (CHEMBL4013756)	Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293 cells assessed as induction of Gq-mediated calcium flux measured every second for 5 mins by Fluo-4 dye based FLIPR assay
50035571	14	ChEMBL_155546 (CHEMBL759914)	Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of guinea pig ventricle
50035571	16	ChEMBL_155547 (CHEMBL759915)	Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of guinea pig ventricle
50049308	4	ChEMBL_1664081 (CHEMBL4013762)	Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 expressing HEK cells assessed as induction of beta-arrestin2 recruitment after 20 hrs by Tango assay
50049308	5	ChEMBL_1664086 (CHEMBL4013767)	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEKT cells after 90 mins by scintillation counting method
50049308	6	ChEMBL_1664087 (CHEMBL4013768)	Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells after 90 mins by scintillation counting method
50049308	7	ChEBML_1664107	Agonist activity at rat 5-HT2A receptor expressed in African clawed frog oocytes assessed as increase in current amplitude
50049308	8	ChEBML_1664108	Agonist activity at rat 5-HT2C receptor expressed in African clawed frog oocytes assessed as increase in current amplitude
50049308	13	ChEMBL_1664077 (CHEMBL4013758)	Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by Fluo-4 dye based FLIPR assay
50035574	2	ChEBML_208005	Binding affinity against HSV-2(333) enzyme thymidine kinase
50035575	1	ChEBML_53934	In vitro inhibitory concentration against beef liver dihydrofolate reductase
50035575	4	ChEBML_210167	In vitro inhibitory concentration against Lactobacillus casei thymidylate synthetase
50035578	1	ChEMBL_28521 (CHEMBL642860)	Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand
50035578	2	ChEMBL_28965 (CHEMBL640605)	Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine
50035578	3	ChEMBL_28520 (CHEMBL642859)	Binding affinity against bovine brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine
50035578	4	ChEMBL_28522 (CHEMBL640691)	Binding affinity against rat brain adenosine A1 receptor using N6-[3H]- cyclohexyladenosine
50035580	1	ChEBML_64518	50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.
50049308	9	ChEMBL_1664072 (CHEMBL4013753)	Inhibition of human ERG expressed in CHO cells by automated patch-clamp assay
50035582	1	ChEBML_64519	Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human
50035582	2	ChEBML_35979	Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.
50035582	3	ChEMBL_64519 (CHEMBL677323)	Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of human
50049308	10	ChEMBL_1664085 (CHEMBL4013766)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEKT cells after 90 mins by scintillation counting method
50035584	1	ChEBML_201661	Inhibitory activity against incorporation of [3H]5-HT transporter uptake into the differentiated N-2a cells.
50035584	2	ChEMBL_201660 (CHEMBL803034)	Inhibitory activity against incorporation of Serotonin transporter uptake into the differentiated N-2a cells.
50035586	1	ChEBML_29631	Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.
50035587	3	ChEBML_164144	Inhibitory activity to prevent binding of added ppp5'A2'p5'A2'pA2'p5'A3'[32P]p5' (c3 label) to RNase L in mouse L cells
50049309	1	ChEMBL_1664111 (CHEMBL4013792)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049309	2	ChEMBL_1664112 (CHEMBL4013793)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049309	3	ChEMBL_1664129 (CHEMBL4013810)	Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50035592	1	ChEBML_62864	In vitro affinity against dopamine receptor D2 using [3H]DP-5,6-ADTN radioligand in rat striatal homogenate
50035592	2	ChEBML_58665	In vitro affinity against Dopamine receptor D1 using [3H]SCH-23390 radioligand in rat striatal homogenate.
50035592	3	ChEMBL_62864 (CHEMBL677679)	In vitro affinity against dopamine receptor D2 using [3H]DP-5,6-ADTN radioligand in rat striatal homogenate
50035592	4	ChEMBL_62862 (CHEMBL677677)	In vitro affinity against Dopamine receptor D2 using [3H]DP-5,6-ADTN radioligand in rat striatal homogenate
50035593	1	ChEMBL_58658 (CHEMBL670432)	Compound was tested for binding affinity against dDopamine receptor D1 using [3H]fenoldopam as a radioligand
50035593	2	ChEBML_58658	Compound was tested for binding affinity against dDopamine receptor D1 using [3H]fenoldopam as a radioligand
50035593	3	ChEBML_59480	Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2
50049309	4	ChEMBL_1664113 (CHEMBL4013794)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049309	5	ChEMBL_1664114 (CHEMBL4013795)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50035596	1	ChEBML_153307	Compound was tested in vitro inhibition of phenylethanolamine N-methyl-transferase (PNMT) activity using radiochemical assay
50035598	1	ChEBML_31924	Inhibition of crude aldose reductase of rat lens
50035601	2	ChEBML_44967	Inhibition of bovine cathepsin D
50049309	6	ChEMBL_1664130 (CHEMBL4013811)	Inhibition of recombinant human carbonic anhydrase 12 catalytic domain preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50049310	1	ChEBML_1664137	Inhibition of human FGFR3 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	2	ChEBML_1664138	Inhibition of human FGFR4 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	3	ChEBML_1664139	Inhibition of human VEGFR2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	21	ChEMBL_1664136 (CHEMBL4013817)	Inhibition of human FGFR2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	4	ChEMBL_1664148 (CHEMBL4013829)	Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 mins by AlphaScreen assay
50049310	18	ChEMBL_1664159 (CHEMBL4013840)	Inhibition of human BMX preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	22	ChEMBL_1664138 (CHEMBL4013819)	Inhibition of human FGFR4 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	23	ChEMBL_1664135 (CHEMBL4013816)	Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	17	ChEMBL_1664214 (CHEMBL4013895)	Irreversible inhibition of human FGFR2 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method
50049310	7	ChEMBL_1664160 (CHEMBL4013841)	Inhibition of human BLK preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	5	ChEBML_1664148	Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphorylation preincubated for 60 mins followed by FGF2 stimulation for 10 mins by AlphaScreen assay
50049310	16	ChEMBL_1664213 (CHEMBL4013894)	Irreversible inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method
50049310	6	ChEBML_1664136	Inhibition of human FGFR2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	20	ChEMBL_1664216 (CHEMBL4013897)	Irreversible inhibition of human FGFR4 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method
50049310	19	ChEMBL_1664215 (CHEMBL4013896)	Irreversible inhibition of human FGFR3 preincubated with enzyme followed by peptide substrate addition by caliper capillary electrophoresis method
50049310	24	ChEMBL_1664139 (CHEMBL4013820)	Inhibition of human VEGFR2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	11	ChEMBL_1664163 (CHEMBL4013844)	Inhibition of human LYN-B preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	9	ChEMBL_1664162 (CHEMBL4013843)	Inhibition of human JAK3 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	13	ChEMBL_1664165 (CHEMBL4013846)	Inhibition of human PERK preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	14	ChEMBL_1664166 (CHEMBL4013847)	Inhibition of human TAOK2 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	8	ChEMBL_1664161 (CHEMBL4013842)	Inhibition of human FLT4 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	10	ChEMBL_1664152 (CHEMBL4013833)	Inhibition of human CSF1R preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	25	ChEMBL_1664137 (CHEMBL4013818)	Inhibition of human FGFR3 preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049310	12	ChEMBL_1664164 (CHEMBL4013845)	Inhibition of human LYN-A preincubated for 15 mins followed by peptide substrate addition measured after 3 hrs by caliper capillary electrophoresis method
50049311	1	ChEBML_1664234	Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins
50049311	5	ChEMBL_1664234 (CHEMBL4013915)	Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins
50049311	2	ChEMBL_1664243 (CHEMBL4013924)	Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins
50049311	4	ChEMBL_1664239 (CHEMBL4013920)	Inhibition of recombinant MPO (unknown origin) assessed as reduction in LDL oxidation in presence of H2O2 and HCl after 5 mins by ELISA
50049311	3	ChEMBL_1664255 (CHEMBL4013936)	Inhibition of MPO in human neutrophils assessed as reduction in HOCl production preincubated for 30 mins followed by H2O2 addition by APF staining based flow cytometry
50035607	2	ChEBML_154162	Compound was tested for inhibition of pepsin.
50035607	3	ChEBML_153843	Compound was tested for inhibition of Rhizopus chinensis pepsin.
50049312	5	ChEBML_1664374	Inhibition of PDE7A1 (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	7	ChEBML_1664354	Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50049312	8	ChEBML_1664376	Inhibition of PDE9A2 (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	4	ChEBML_1664373	Inhibition of PDE6A (484 to 817 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	9	ChEBML_1664407	Inhibition of CYP1A2 in human microsomes in presence of NADPH
50049312	3	ChEBML_1664372	Inhibition of PDE4D2 (86 to 413 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cAMP or [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50049312	2	ChEBML_1664371	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cAMP or [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50049312	12	ChEBML_1664377	Inhibition of PDE10A (449 to 770 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	6	ChEBML_1664375	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	26	ChEMBL_1664413 (CHEMBL4014094)	Inhibition of CYP3A4 in human microsomes in presence of NADPH
50049312	24	ChEMBL_1664412 (CHEMBL4014093)	Inhibition of CYP2D6 in human microsomes in presence of NADPH
50049312	28	ChEMBL_1664354 (CHEMBL4014035)	Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50049312	25	ChEMBL_1664369 (CHEMBL4014050)	Inhibition of PDE1B (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cAMP or [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50049312	27	ChEMBL_1664414 (CHEMBL4014095)	Inhibition of human ERG expressed in CHO cells by automated patch clamp assay
50049312	19	ChEMBL_1664370 (CHEMBL4014051)	Inhibition of PDE2A (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP or [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50049312	20	ChEMBL_1664408 (CHEMBL4014089)	Inhibition of CYP2B6 in human microsomes in presence of NADPH
50049312	22	ChEMBL_1664410 (CHEMBL4014091)	Inhibition of CYP2C9 in human microsomes in presence of NADPH
50049312	21	ChEMBL_1664409 (CHEMBL4014090)	Inhibition of CYP2C8 in human microsomes in presence of NADPH
50035610	3	ChEBML_35994	Inhibitory concentration (isomer A) against Angiotensin I converting enzyme
50049312	23	ChEMBL_1664411 (CHEMBL4014092)	Inhibition of CYP2C19 in human microsomes in presence of NADPH
50049313	1	ChEMBL_1664430 (CHEMBL4014111)	Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting
50049313	2	ChEMBL_1664431 (CHEMBL4014112)	Inhibition of recombinant human DYRK1A expressed in insect cells using RRRFRPASPLRGPPK peptide as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting
50035611	2	ChEMBL_105120 (CHEMBL713238)	Inhibitory constant against rat kidney Methionine adenosyltransferase II, activity expressed as Ki
50035611	4	ChEMBL_104982 (CHEMBL714246)	Inhibitory constant against rat liver Methionine adenosyltransferase I
50035611	7	ChEBML_104983	Inhibitory constant against rat liver Methionine adenosyltransferase I, activity expressed as Ki
50049313	3	ChEMBL_1664448 (CHEMBL4014129)	Inhibition of recombinant human AbL expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma-32]-ATP
50049313	4	ChEMBL_1664447 (CHEMBL4014128)	Inhibition of recombinant human JAK2 expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma-32]-ATP
50049313	5	ChEMBL_1664446 (CHEMBL4014127)	Inhibition of recombinant human FGFR4 expressed in fall armyworm sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma-32]-ATP
50049313	6	ChEMBL_1664445 (CHEMBL4014126)	Inhibition of human EGFR
50049313	7	ChEMBL_1664444 (CHEMBL4014125)	Inhibition of recombinant human MAPK1 expressed in Escherichia coli using MBP as substrate in presence of [gamma-32]-ATP
50049313	8	ChEMBL_1664443 (CHEMBL4014124)	Inhibition of human ULK1
50049313	9	ChEMBL_1664442 (CHEMBL4014123)	Inhibition of recombinant human CDK9 expressed in fall armyworm sf21 cells using PDKtide as substrate in presence of [gamma-32]-ATP
50049313	10	ChEMBL_1664441 (CHEMBL4014122)	Inhibition of recombinant human CDK6 expressed in fall armyworm sf21 cells using Histone H1 as substrate in presence of [gamma-32]-ATP
50049313	11	ChEMBL_1664440 (CHEMBL4014121)	Inhibition of recombinant human GSK3beta expressed in fall armyworm sf21 cells using Phospho-glycogen synthase peptide-2 as substrate in presence of [gamma-32]-ATP
50049313	12	ChEMBL_1664438 (CHEMBL4014119)	Inhibition of human DYRK2
50049313	13	ChEMBL_1664437 (CHEMBL4014118)	Inhibition of human DYRK1B
50049313	14	ChEMBL_1664434 (CHEMBL4014115)	Inhibition of recombinant human CLK4 expressed in baculovirus infected Sf21 cells
50035613	1	ChEBML_58478	Compound was tested for its effect on dopamine saturation analysis
50035613	6	ChEBML_68589	Inhibition of [3H]muscimol binding to Gamma-aminobutyric acid (GABA-A) receptor
50035613	8	ChEBML_84697	Binding affinity against Histamine H1 receptor was measured using radioligand ([3H]pyrilamine) binding assay
50035613	14	ChEBML_71849	Binding affinity against glutamate receptor was measured using radioligand [3H]-kainic acid binding assay
50035614	1	ChEBML_35218	Inhibitory activity against Angiotensin I converting enzyme
50049313	15	ChEMBL_1664433 (CHEMBL4014114)	Inhibition of recombinant human CLK2 (144 to 498 residues) expressed in insect cells using S6 kinase/Rsk2 substrate peptide 2 in presence of [gamma-32P]ATP
50049313	16	ChEMBL_1664439 (CHEMBL4014120)	Inhibition of human DYRK3
50049313	17	ChEMBL_1664435 (CHEMBL4014116)	Inhibition of human CLK3
50049315	1	ChEMBL_1664517 (CHEMBL4014198)	Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production preincubated for 5 mins followed WKYMVM-peptide stimulation by isoluminol/HRP-based chemiluminescence assay
50049315	2	ChEMBL_1664524 (CHEMBL4014205)	Antagonist activity at FPR2 in human peripheral blood polymorphonuclear neutrophils assessed as inhibition of WKYMVM-peptide induced ROS production preincubated for 5 mins followed WKYMVM-peptide stimulation measured up to 20 mins by isoluminol-based chemiluminescence assay
50049316	1	ChEBML_1664530	Inhibition of human N-terminal His6-tagged QC expressed in Escherichia coli BL21(DE3) using H-gln-gln-H as substrate in presence of NADH/H+ after 15 mins by glutamic acid dehydrogenase coupled spectrophotometric method
50049317	1	ChEMBL_1664554 (CHEMBL4014235)	Inhibition of PKBbeta (unknown origin) in presence of [33P-gamma]ATP by scintillation counting
50049318	1	ChEMBL_1664555 (CHEMBL4014236)	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr
50035617	1	ChEBML_68542	Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver
50035618	1	ChEMBL_49250 (CHEMBL660670)	Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations
50035618	2	ChEBML_49250	Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations
50035619	1	ChEMBL_210452 (CHEMBL814404)	Compound was tested for the inhibition of thromboxane synthetase
50035619	2	ChEMBL_210451 (CHEMBL814403)	Compound was tested for the inhibition of thromboxane synthetase
50035619	3	ChEBML_210452	Compound was tested for the inhibition of thromboxane synthetase
50035621	1	ChEBML_206286	Alpha-D-glucosidase inhibitory activity and enzyme inhibition in vitro against porcine sucrase
50035621	2	ChEBML_101862	Inhibitory activity against porcine maltase
50049318	2	ChEMBL_1664557 (CHEMBL4014238)	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of AP-TGFalpha release after 1 hr
50035623	1	ChEBML_31926	Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)
50035623	2	ChEMBL_31926 (CHEMBL642969)	Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)
50049319	1	ChEMBL_1664624 (CHEMBL4014420)	Inhibition of GST-tagged PTP1B (1 to 321 residues) (unknown origin) using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50049320	1	ChEMBL_1664684 (CHEMBL4014480)	Inhibition of ABCB1 in human MCF7/ADR cells assessed as potentiation of vinblastine-induced cytotoxicity by measuring vinblastine IC50 at IC10 after 7 days by SRB assay
50049321	1	ChEMBL_1664693 (CHEMBL4014489)	Inhibition of Staphylococcus aureus DNA gyrase A/DNA gyrase B supercoiling activity using relaxed pNO1 DNA as substrate after 30 mins in presence of biotin-labeled oligonucleotide by SybrGOLD staining based fluorescence assay
50049322	1	ChEMBL_1664709 (CHEMBL4014505)	Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation after 2 hrs by ADP-glo assay
50049322	2	ChEMBL_1664725 (CHEMBL4014521)	Inhibition of human SYK
50049322	3	ChEMBL_1664729 (CHEMBL4014525)	Inhibition of human AURORA-A
50049322	4	ChEMBL_1664732 (CHEMBL4014528)	Inhibition of human BTK
50035627	1	ChEBML_75330	In vitro inhibition of histamine-induced contractions in guinea pig ileum
50049322	5	ChEMBL_1664710 (CHEMBL4014506)	Inhibition of human DRAK1
50049322	6	ChEMBL_1664711 (CHEMBL4014507)	Inhibition of human DAPK1
50049322	7	ChEMBL_1664713 (CHEMBL4014509)	Inhibition of human DAPK2
50049322	8	ChEMBL_1664714 (CHEMBL4014510)	Inhibition of human DAPK3
50049322	9	ChEMBL_1664715 (CHEMBL4014511)	Inhibition of human BLK
50049322	10	ChEMBL_1664716 (CHEMBL4014512)	Inhibition of human ITK
50049322	11	ChEMBL_1664718 (CHEMBL4014514)	Inhibition of human TEK
50049322	12	ChEMBL_1664721 (CHEMBL4014517)	Inhibition of human JAK2
50049322	13	ChEMBL_1664735 (CHEMBL4014531)	Inhibition of human CDK4
50049322	14	ChEMBL_1664737 (CHEMBL4014533)	Inhibition of human CDK5
50049322	15	ChEMBL_1664739 (CHEMBL4014535)	Inhibition of human CDK6
50049322	16	ChEMBL_1664745 (CHEMBL4014541)	Inhibition of human IKKB
50049322	17	ChEMBL_1664747 (CHEMBL4014543)	Inhibition of human GSK3beta
50049322	18	ChEMBL_1664763 (CHEMBL4014559)	Inhibition of DRAK2 (unknown origin)
50035631	2	ChEBML_54902	Inhibitory activity against dihydrofolate reductase derived from Lactobacillus casei
50049322	19	ChEMBL_1664764 (CHEMBL4014560)	Binding affinity to DRAK1 (unknown origin)
50049322	20	ChEMBL_1664765 (CHEMBL4014561)	Binding affinity to DAPK1 (unknown origin)
50035632	1	ChEBML_52531	Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase
50049322	21	ChEMBL_1664741 (CHEMBL4014537)	Inhibition of human CDK9
50049322	22	ChEMBL_1664723 (CHEMBL4014519)	Inhibition of human JAK3
50049323	1	ChEMBL_1664810 (CHEMBL4014606)	Binding affinity to recombinant human 6His-tagged FLAP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric method
50049323	2	ChEMBL_1664811 (CHEMBL4014607)	Displacement of [3H]LTD4 from cysteinyl leukotriene receptor 1 in Hartley guinea pig parenchymal membrane after 30 mins by liquid scintillation counting method
50049323	3	ChEMBL_1664812 (CHEMBL4014608)	Displacement of [3H]ICI from cysteinyl leukotriene receptor 1 in Hartley guinea pig lung membrane after 30 mins by liquid scintillation counting method
50049323	4	ChEMBL_1664813 (CHEMBL4014609)	Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay
50049323	5	ChEMBL_1664816 (CHEMBL4014612)	Inhibition of cysteinyl leukotriene receptor 1 (unknown origin) expressed in HEK293 cell membranes after 45 mins by scintillation spectrometry
50049323	6	ChEMBL_1664822 (CHEMBL4014618)	Activation of human PXR expressed in DPX2 cells assessed as CYP3A4 induction after 24 hrs by luciferase reporter gene assay
50035634	4	ChEMBL_28538 (CHEMBL636728)	Potency against rat brain adenosine A1 receptor at 10 uM
50049324	1	ChEMBL_1664931 (CHEMBL4014727)	Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay
50035634	6	ChEMBL_30533 (CHEMBL643180)	Potency against rat brain A1 adenosine receptor
50035635	1	ChEBML_28147	Reversible inhibition of Human AchE
50035636	2	ChEBML_53887	Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.
50035638	3	ChEBML_54904	Inhibitory activity against dihydrofolate reductase of Lactobacillus casei
50035640	1	ChEBML_1800	Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand.
50035640	2	ChEMBL_1770 (CHEMBL616554)	Binding affinity towards 5-HT1B was determined
50035640	4	ChEBML_1197	Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand.
50035640	5	ChEBML_1848	Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.
50049324	2	ChEMBL_1664927 (CHEMBL4014723)	Inhibition of full length human C-terminal FLAG/His-tagged KDAC1 expressed in baculovirus expression system using substrate A after 60 mins by microfluidic assay
50049324	3	ChEMBL_1664928 (CHEMBL4014724)	Inhibition of full length human C-terminal His-tagged KDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expression system using FITC-p53 acetylated peptide as substrate after 60 mins by microfluidic assay
50049324	4	ChEMBL_1664929 (CHEMBL4014725)	Inhibition of human KDAC6 expressed in baculovirus expression system using FITC-Histone 4 acetylated peptide as substrate after 60 mins by microfluidic assay
50049324	5	ChEMBL_1664930 (CHEMBL4014726)	Inhibition of full length human C-terminal His-tagged KDAC8 expressed in baculovirus expression system using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay
50049325	1	ChEMBL_1664940 (CHEMBL4014736)	Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay
50049325	2	ChEMBL_1664941 (CHEMBL4014737)	Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin/7-ethoxy-methyloxy-3-cyanocoumarin as substrate by fluorescence assay
50049325	3	ChEMBL_1664942 (CHEMBL4014738)	Inhibition of human CYP2D6 expressed in yeast microsomal membranes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate by fluorescence assay
50049325	4	ChEMBL_1664943 (CHEMBL4014739)	Inhibition of human CYP3A4 expressed in yeast microsomal membranes using dibenzylfluorescein as substrate by fluorescence assay
50049325	5	ChEMBL_1664944 (CHEMBL4014740)	Inhibition of human CYP2C9 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
50035642	1	ChEBML_210286	Inhibition of human platelet thromboxane synthase (TXA2) was determined in human platelets
50035643	1	ChEBML_58218	Dopamine receptor D2 agonist activity was determined for inhibition of release of NE in an isolated perfused rabbit ear artery preparation
50035643	2	ChEBML_60524	Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenylate cyclase
50035643	3	ChEMBL_58218 (CHEMBL879704)	Dopamine receptor D2 agonist activity was determined for inhibition of release of NE in an isolated perfused rabbit ear artery preparation
50049325	6	ChEMBL_1664945 (CHEMBL4014741)	Inhibition of human CYP2C19 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
50049325	7	ChEMBL_1664950 (CHEMBL4014746)	Inhibition of recombinant human CYP1A1 expressed in yeast cells using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
50049325	8	ChEMBL_1664951 (CHEMBL4014747)	Inhibition of recombinant human CYP1B1 expressed in yeast cells using 7-ethoxyresorufin as substrate by fluorescence assay
50049325	9	ChEMBL_1664952 (CHEMBL4014748)	Inhibition of recombinant human liver CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by EROD assay
50049325	10	ChEMBL_1664953 (CHEMBL4014749)	Inhibition of recombinant human liver CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by EROD assay
50049325	11	ChEMBL_1664954 (CHEMBL4014750)	Inhibition of CYP1A1 (unknown origin)
50049325	12	ChEMBL_1664955 (CHEMBL4014751)	Inhibition of CYP1B1 (unknown origin)
50049325	13	ChEMBL_1664956 (CHEMBL4014752)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5[alpha] using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate in presence of NADPH by EROD assay
50049325	14	ChEMBL_1664939 (CHEMBL4014735)	Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
50035646	2	ChEMBL_62727 (CHEMBL671469)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 4 to 11
50035646	6	ChEMBL_62721 (CHEMBL671463)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 231 to 757
50035646	7	ChEMBL_62731 (CHEMBL673921)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 72 to 141
50035646	8	ChEMBL_62717 (CHEMBL671460)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 13 to 42
50035646	9	ChEMBL_62732 (CHEMBL878412)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 84 to 130
50035646	10	ChEMBL_62722 (CHEMBL671464)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 238 to 401
50035646	12	ChEMBL_62718 (CHEMBL872886)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 14 to 22
50035646	13	ChEMBL_62729 (CHEMBL671471)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 47 to 136
50035646	15	ChEMBL_62735 (CHEMBL674418)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 94 to 214
50035646	16	ChEMBL_62730 (CHEMBL671472)	In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 70 to 270
50035646	17	ChEMBL_62736 (CHEMBL674419)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound.
50035646	19	ChEMBL_62725 (CHEMBL671467)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 39 to 78
50035646	20	ChEMBL_62723 (CHEMBL671465)	In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 26 to 263
50035646	22	ChEMBL_62728 (CHEMBL671470)	In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 4 to 15
50035646	23	ChEMBL_62724 (CHEMBL671466)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 3 to 10
50049325	15	ChEMBL_1664957 (CHEMBL4014753)	Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5[alpha] using 7-ethoxyresorufin/3-cyano-7-ethoxycoumarin as substrate in presence of NADPH by EROD assay
50035646	26	ChEMBL_62714 (CHEMBL671457)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound
50035646	27	ChEMBL_61433 (CHEMBL884456)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound.
50035646	28	ChEMBL_62733 (CHEMBL673922)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 85 to 183
50035646	29	ChEMBL_62734 (CHEMBL673923)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 9 to 19
50035646	31	ChEMBL_62719 (CHEMBL671461)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 20 to 130
50035646	32	ChEMBL_62716 (CHEMBL671459)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 1 to 2
50035646	33	ChEMBL_62715 (CHEMBL671458)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 0.7 to 1.5
50035646	34	ChEMBL_62726 (CHEMBL671468)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 39 to 274
50035646	35	ChEMBL_62720 (CHEMBL671462)	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 220 to 3100
50035646	36	ChEBML_62719	In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound; value may range from 20 to 130
50049326	1	ChEMBL_1664958 (CHEMBL4014754)	Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupled spectrophotometric assay
50035648	3	ChEBML_31715	Inhibitory concentration against rat striatal dopamine (D1) sensitive adenylate cyclase activity
50035648	2	ChEBML_58534	Ability to inhibit the specific binding of [3H]- spiroperidol to Dopamine receptor D2 in rat striatal membrane preparation by 50%
50049326	2	ChEMBL_1664962 (CHEMBL4014758)	Activation of glucokinase in rat INS-1 cells assessed as increase in D-2-deoxyglucose-6-phosphate level in presence of D-2-deoxyglucose by HILIC LC-MS method
50049326	3	ChEMBL_1664963 (CHEMBL4014759)	Activation of glucokinase in primary rat hepatocytes assessed as increase in D-2-deoxyglucose-6-phosphate level in presence of D-2-deoxyglucose by HILIC LC-MS method
50049326	4	ChEMBL_1664960 (CHEMBL4014756)	Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH coupled spectrophotometric assay
50000000	1	ChEMBL_1664995 (CHEMBL4014791)	Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH coupled spectrophotometric assay
50000001	1	ChEMBL_1665116 (CHEMBL4014912)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane
50000003	1	ChEMBL_1665134 (CHEMBL4014930)	Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by Dual-glo luciferase reporter gene assay
50000003	2	ChEMBL_1665133 (CHEMBL4014929)	Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SRC1 peptide recruitment by thermofluor assay
50000003	3	ChEMBL_1665145 (CHEMBL4014941)	Inverse agonist activity at RORgammat in human Th17 cells assessed as inhibition of IL17A production
50000003	4	ChEMBL_1665136 (CHEMBL4014932)	Transactivation of GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by Dual-glo luciferase reporter gene assay
50035654	4	ChEMBL_61420 (CHEMBL675888)	Compound was tested in vivo for binding affinity against D2 receptor using nonradiolabeled 5,6-di-n-Pr-ADTN
50035655	1	ChEBML_152596	Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay
50035656	1	ChEBML_153309	In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.
50035657	1	ChEMBL_3926 (CHEMBL619929)	In vitro inhibition of RBL-1 5-lipoxygenase
50035657	2	ChEMBL_3933 (CHEMBL619935)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-1.7
50035657	3	ChEMBL_3928 (CHEMBL619930)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.3-1.6
50035657	4	ChEMBL_3944 (CHEMBL619944)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 2.46-2.63
50035657	5	ChEMBL_3949 (CHEMBL619949)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 7.5-11.8
50035657	6	ChEMBL_3937 (CHEMBL619939)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.3-2.8
50035657	7	ChEMBL_3936 (CHEMBL619938)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.1-1.6
50035657	8	ChEMBL_3935 (CHEMBL619937)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.07-5.54
50035657	9	ChEMBL_3940 (CHEMBL619941)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.8-2.8
50035657	10	ChEMBL_3927 (CHEMBL875089)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.18-0.31
50035657	11	ChEMBL_3947 (CHEMBL619947)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 4.0-6.4
50035657	12	ChEMBL_3938 (CHEMBL619940)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.4-3.2
50035657	13	ChEMBL_3930 (CHEMBL619932)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.72-1.07
50035657	14	ChEMBL_3932 (CHEMBL619934)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-1.5
50035657	15	ChEMBL_3941 (CHEMBL619942)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.8-5.7
50035657	16	ChEMBL_3943 (CHEMBL619943)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 2.3-.8
50035657	17	ChEMBL_3934 (CHEMBL619936)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-2.4
50035657	18	ChEMBL_3945 (CHEMBL619945)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 3.3-3.5
50035657	19	ChEMBL_3939 (CHEMBL875090)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.7-2.6
50035657	20	ChEMBL_3931 (CHEMBL619933)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.9-4.0
50035657	21	ChEMBL_3929 (CHEMBL619931)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 0.4-2.2
50035657	22	ChEMBL_3948 (CHEMBL619948)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 4.9-11.6
50035657	23	ChEMBL_3946 (CHEMBL619946)	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 3.8-7.1
50035657	24	ChEBML_3934	In vitro inhibition of RBL-1 5-lipoxygenase; Value ranges from 1.0-2.4
50000003	5	ChEMBL_1665142 (CHEMBL4014938)	Transactivation of RORgammat in human Th17 cells assessed as increase in IL17A production
50035658	2	ChEBML_210117	Tested for inhibition of thromboxane Synthetase from spontaneously hypertensive rats
50000004	1	ChEMBL_1665216 (CHEMBL4015012)	Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH3 peptide (79 to 99 residues) binding to Bcl-2 (unknown origin) after 30 mins by fluorescence polarization assay
50000004	2	ChEMBL_1665217 (CHEMBL4015013)	Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH3 peptide (79 to 99 residues) binding to Mcl-1 (unknown origin) after 30 mins by fluorescence polarization assay
50035660	1	ChEBML_3895	Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase
50035662	2	ChEBML_195751	In vitro inhibition against human plasma renin.
50035663	1	ChEBML_3912	Compound was tested for its in vitro inhibitory activity against RBL-1 5-LO (time dependent)
50035663	4	ChEMBL_3911 (CHEMBL619915)	Compound was tested for its in vitro inhibitory activity against RBL-1 5-LO (insoluble above 45 uM)
50035663	5	ChEMBL_3912 (CHEMBL619916)	Compound was tested for its in vitro inhibitory activity against RBL-1 5-LO (time dependent)
50035664	1	ChEBML_45070	In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide
50035665	4	ChEBML_209972	Binding affinity against thymidylate synthase from murine leukemia L1210
50035665	6	ChEBML_209614	Inhibitory activity against human thymidylate synthase derived either from HeLa or KB cells
50000005	1	ChEMBL_1665241 (CHEMBL4015037)	Binding affinity to Bothrops asper venom metalloprotease BaP1 assessed as Stern-Volmer quenching constant by fluorescence spectroscopic method
50000005	2	ChEMBL_1665239 (CHEMBL4015035)	Inhibition of Bothrops asper venom metalloprotease BaP1 assessed as reduction in proteolytic activity using azocasein as substrate measured after 90 mins by colorimetric method
50000007	1	ChEMBL_1665290 (CHEMBL4015086)	Inhibition of human CHKalpha (1 to 457 residues) by ADP Glo HTS assay
50000007	2	ChEMBL_1665291 (CHEMBL4015087)	Inhibition of human CHKbeta (1 to 395 residues) by ADP Glo HTS assay
50000007	3	ChEMBL_1665292 (CHEMBL4015088)	Inhibition of human DGKbeta (1 to 804 residues) by ADP Glo HTS assay
50000007	4	ChEMBL_1665293 (CHEMBL4015089)	Inhibition of human DGKgamma (1 to 752 residues) by ADP Glo HTS assay
50000007	5	ChEMBL_1665294 (CHEMBL4015090)	Inhibition of human DGKzeta (1 to 929 residues) by ADP Glo HTS assay
50000007	6	ChEMBL_1665295 (CHEMBL4015091)	Inhibition of human PI3K p85alpha (1 to 724 residues) by ADP Glo HTS assay
50000007	7	ChEMBL_1665255 (CHEMBL4015051)	Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in presence of ATP by Kinase Glo luminescence assay
50000007	8	ChEMBL_1665245 (CHEMBL4015041)	Inhibition of PI3Kgamma in mouse RAW264 cells assessed as decrease in AKT phosphorylation at Ser473
50000007	9	ChEMBL_1665270 (CHEMBL4015066)	Inhibition of human ERG
50000007	10	ChEMBL_1665271 (CHEMBL4015067)	Inhibition of CYP1A2 (unknown origin)
50000007	11	ChEMBL_1665272 (CHEMBL4015068)	Inhibition of CYP2C9 (unknown origin)
50000007	12	ChEMBL_1665274 (CHEMBL4015070)	Inhibition of CYP2D6 (unknown origin)
50000007	13	ChEMBL_1665275 (CHEMBL4015071)	Inhibition of CYP3A4 (unknown origin)
50000007	14	ChEMBL_1665283 (CHEMBL4015079)	Inhibition of human SphK1 (1 to 384 residues) by ATP-Glo HTS assay
50000007	15	ChEMBL_1665284 (CHEMBL4015080)	Inhibition of mTOR (unknown origin)
50000007	16	ChEMBL_1665244 (CHEMBL4015040)	Inhibition of human PI3K p85beta (1 to 724 residues) by ADP Glo HTS assay
50000007	17	ChEMBL_1665285 (CHEMBL4015081)	Inhibition of human PI3Kgamma (2 to 1102 residues) by ADP Glo HTS assay
50000007	18	ChEMBL_1665286 (CHEMBL4015082)	Inhibition of human PI4K2alpha (1 to 479 residues) by ADP Glo HTS assay
50000007	19	ChEMBL_1665289 (CHEMBL4015085)	Inhibition of human PIP5K2alpha (1 to 406 residues) by ADP Glo HTS assay
50000007	20	ChEMBL_1665288 (CHEMBL4015084)	Inhibition of human SPHK 2 (1 to 654 residues) by ADP Glo HTS assay
50000007	21	ChEMBL_1665247 (CHEMBL4015043)	Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser473 measured after 2 hrs
50000007	22	ChEMBL_1665252 (CHEMBL4015048)	Inhibition of recombinant human PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in presence of ATP by Kinase Glo luminescence assay
50000007	23	ChEMBL_1665253 (CHEMBL4015049)	Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in presence of ATP by Kinase Glo luminescence assay
50000007	24	ChEMBL_1665254 (CHEMBL4015050)	Inhibition of recombinant human PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins in presence of ATP by Kinase Glo luminescence assay
50035673	3	ChEMBL_207823 (CHEMBL812343)	Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1
50035673	2	ChEBML_207848	Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2
50000007	25	ChEMBL_1665273 (CHEMBL4015069)	Inhibition of CYP2C19 (unknown origin)
50000007	26	ChEMBL_1665287 (CHEMBL4015083)	Inhibition of human PIK4Cbeta (1 to 801 residues) by ADP Glo HTS assay
50000007	27	ChEMBL_1665256 (CHEMBL4015052)	Inhibition of PI3Kdelta in human JeKo1 B cells assessed as decrease in AKT phosphorylation at Ser473 measured after 1 hr
50000008	1	ChEMBL_1665375 (CHEMBL4015171)	Inhibition of human URAT1
50000008	2	ChEMBL_1665376 (CHEMBL4015172)	Inhibition of URAT1 (unknown origin) expressed in HEK293 cells assessed as reduction in [14C]uric acid uptake after 10 mins by liquid scintillation counting method
50000008	3	ChEMBL_1665351 (CHEMBL4015147)	Inhibition of human URAT1 expressed in HEK293T cells assessed as reduction in [14C]uric acid uptake measured after 5 mins by liquid scintillation counting method
50035676	1	ChEBML_149000	Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain
50035677	3	ChEMBL_28963 (CHEMBL640603)	Binding affinity for Adenosine A1 receptor using [125I]-ABA in chick cerebellar membrane
50000010	1	ChEMBL_1665377 (CHEMBL4015173)	Antagonist activity at integrin alphaVbeta3 (unknown origin) expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen after 2 hrs by MTT assay
50000010	2	ChEMBL_1665378 (CHEMBL4015174)	Antagonist activity at integrin alphaVbeta3alphaVbeta5 (unknown origin) expressed in SKOV3 cells assessed as reduction in cell adhesion to fibrinogen after 2 hrs by MTT assay
50000010	3	ChEMBL_1665379 (CHEMBL4015175)	Antagonist activity at integrin alphaVbeta5 (unknown origin) expressed in HT-29 cells assessed as reduction in cell adhesion to vitronectin after 2 hrs by MTT assay
50000011	1	ChEMBL_1665397 (CHEMBL4015193)	Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLCbeta fused M5 receptor assessed as peak current changes at +80 mV by whole cell patch-clamp method
50000011	2	ChEMBL_1665399 (CHEMBL4015195)	Agonist activity at human TRPC7 expressed in HEK293 cells assessed as increase in intracellular calcium level measured for 2.5 mins in presence of 2 mM Ca2+ by Fluo8-AM dye-based fluorescence assay
50000011	3	ChEMBL_1665386 (CHEMBL4015182)	Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLCbeta fused M5 receptor assessed as increase in intracellular calcium level measured for 2.5 mins by Fluo-8-AM dye-based fluorescence assay
50000011	4	ChEMBL_1665387 (CHEMBL4015183)	Antagonist activity at mouse TRPC4beta expressed in HEK293 cells co-expressing MOR decrease in DAMGO-evoked intracellular calcium level by Fluo-8-AM dye-based fluorescence assay
50000011	5	ChEMBL_1665388 (CHEMBL4015184)	Agonist activity at human TRPC3 expressed in HEK293 cells assessed as induction of membrane depolarization measured for 2.5 mins in presence of 0.5 mM Ca2+ by FLIPR membrane potential dye-based fluorescence assay
50000011	6	ChEMBL_1665413 (CHEMBL4015209)	Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLCbeta fused M5 receptor assessed as increase in intracellular calcium level by Fluo-4-AM dye-based fluorescence assay
50035682	1	ChEBML_3950	In vitro inhibitory activity against 5-lipoxygenase from rat basophilic leukemia cells.
50035683	1	ChEMBL_55096 (CHEMBL875027)	Inhibition of dihydrofolate reductase (DHFR) from Leishmania major
50000011	7	ChEMBL_1665418 (CHEMBL4015214)	Agonist activity at human TRPC7 receptor expressed in HEK293 cells assessed as induction of channel current in presence of 0.1 mM Ca2+ by whole cell patch-clamp method
50000011	8	ChEMBL_1665410 (CHEMBL4015206)	Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLCbeta fused M5 receptor assessed as induction of membrane potential depolarization measured for 2.5 mins by FLIPR assay
50000013	1	ChEMBL_1665442 (CHEMBL4015238)	Antagonist activity at Gq protein coupled human FFAR1 expressed in human 1321N1 cells assessed as inhibition of TUG-424-induced intracellular calcium level preincubated for 30 mins followed by TUG-424 addition measured at 1.2 secs time interval by Fluo-4-AM dye based fluorescence assay
50000013	2	ChEMBL_1665423 (CHEMBL4015219)	Agonist activity at Gi coupled human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins in presence of [3H]-cAMP by radiometric assay
50000013	3	ChEMBL_1665432 (CHEMBL4015228)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 0.1 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000013	4	ChEMBL_1665433 (CHEMBL4015229)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 0.3 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000013	5	ChEMBL_1665434 (CHEMBL4015230)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 1 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000013	6	ChEMBL_1665435 (CHEMBL4015231)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 3 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000013	7	ChEMBL_1665437 (CHEMBL4015233)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 0.03 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000013	8	ChEMBL_1665458 (CHEMBL4015254)	Agonist activity at human GPR84 assessed as beta-arrestin recruitment by beta-galactosidase complementation assay
50000013	9	ChEMBL_1665426 (CHEMBL4015222)	Agonist activity at human GPR84 by [35S]GTPgammaS binding assay
50000013	10	ChEMBL_1665427 (CHEMBL4015223)	Inhibition of XIAP (unknown origin)
50000013	11	ChEMBL_1665424 (CHEMBL4015220)	Agonist activity at human GPR84 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by beta-galactosidase complementation assay
50000013	12	ChEMBL_1665431 (CHEMBL4015227)	Agonist activity at human N-terminal-FLAG-tagged human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated fro 20 mins followed by forskolin addition measured after 20 mins
50000013	13	ChEMBL_1665457 (CHEMBL4015253)	Agonist activity at human PK-tagged GPR84 expressed in CHOK1 cells assessed as EA-tagged beta-arrestin recruitment by beta-galactosidase complementation assay
50000013	14	ChEMBL_1665436 (CHEMBL4015232)	Positive allosteric modulation of Gi coupled human GPR84 expressed in CHO cells assessed as potentiation of decanoic acid-induced inhibition of forskolin-induced cAMP accumulation by measuring decanoic acid EC50 at 0.01 uM after 15 mins in presence of [3H]-cAMP by radiometric assay (Rvb = 9.22 to 13.1 uM)
50000014	1	ChEMBL_1665700 (CHEMBL4015496)	Inhibition of recombinant human Kv1.5 expressed in mouse L929 cells by patch clamp assay
50035685	5	ChEBML_49560	Half-maximal inhibition of [125I]CCK-33 binding to rat pancreas cholecystokinin receptor
50000014	2	ChEMBL_1665702 (CHEMBL4015498)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50035686	1	ChEBML_51214	In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system.
50000014	3	ChEMBL_1665706 (CHEMBL4015502)	Inhibition of human ERG expressed in HEK293 cells by flux assay
50000014	4	ChEMBL_1665708 (CHEMBL4015504)	Inhibition of CYP2C19 (unknown origin)
50000014	5	ChEMBL_1665710 (CHEMBL4015506)	Inhibition of CYP2C8 (unknown origin)
50000014	6	ChEMBL_1665711 (CHEMBL4015507)	Inhibition of CYP2C9 (unknown origin)
50035688	1	ChEBML_219109	Kinetic constant for galactosyltransferase inhibition was determined
50000014	7	ChEMBL_1665709 (CHEMBL4015505)	Inhibition of CYP1A2 (unknown origin)
50000016	1	ChEMBL_1665801 (CHEMBL4015597)	Transactivation of PXR (unknown origin)
50000016	2	ChEMBL_1665800 (CHEMBL4015596)	Inhibition of human ERG by thallium flux assay
50000016	3	ChEMBL_1665797 (CHEMBL4015593)	Inhibition of microsomal CYP3A4 (unknown origin)
50000016	4	ChEMBL_1665796 (CHEMBL4015592)	Inhibition of microsomal CYP2C8 (unknown origin)
50000016	5	ChEMBL_1665841 (CHEMBL4015637)	Inhibition of human ERG by patch clamp assay
50000019	1	ChEMBL_1665849 (CHEMBL4015645)	Inhibition of human SGLT1 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method
50035690	5	ChEMBL_62386 (CHEMBL672339)	Binding affinity towards Dopamine receptor D2
50000019	2	ChEMBL_1665848 (CHEMBL4015644)	Inhibition of human SGLT2 expressed in CHO cells assessed as decrease in uptake of [14C]AMG after 120 mins by TopCount method
50000019	3	ChEMBL_1665865 (CHEMBL4015661)	Inhibition of human SGLT2
50000019	4	ChEMBL_1665866 (CHEMBL4015662)	Inhibition of human SGLT1
50035690	9	ChEBML_58645	Binding affinity towards Dopamine receptor D1
50000020	1	ChEMBL_1665867 (CHEMBL4015663)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000020	2	ChEMBL_1665869 (CHEMBL4015665)	Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000020	3	ChEMBL_1665870 (CHEMBL4015666)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000020	4	ChEMBL_1665868 (CHEMBL4015664)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50035690	12	ChEBML_62387	Binding affinity towards Dopamine receptor D2 at 1.0 uM concentration
50035693	2	ChEBML_198108	Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices
50000020	5	ChEMBL_1665871 (CHEMBL4015667)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000020	6	ChEMBL_1665872 (CHEMBL4015668)	Inhibition of human carbonic anhydrase 14 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000022	1	ChEMBL_1665874 (CHEMBL4015670)	Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex at CpG site after 1 hr by fluorescence assay
50035696	1	ChEBML_98405	Compound was tested for inhibition of Leucine aminopeptidase isolated from porcine kidney; Inhibitor exhibits slow-binding behavior(k on <=1000Me-1Se-1)
50035696	2	ChEMBL_98405 (CHEMBL706602)	Compound was tested for inhibition of Leucine aminopeptidase isolated from porcine kidney; Inhibitor exhibits slow-binding behavior(k on <=1000Me-1Se-1)
50035697	1	ChEBML_210584	Inhibition of plasma fibrin clot formation by thrombin in vitro.
50000022	2	ChEMBL_1665873 (CHEMBL4015669)	Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA duplex after 1 hr by scintillation counting method
50000024	1	ChEMBL_1665899 (CHEMBL4015695)	Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechst 33342 addition measured immediately at 60 sec time interval for 120 mins by fluorescence assay
50000024	2	ChEMBL_1665901 (CHEMBL4015697)	Inhibition of ABCB1 in human A2780adr cells assessed as reduction in calcein AM levels preincubated for 30 mins followed by calcein AM addition measured immediately at 60 sec time interval for 60 mins by fluorescence assay
50035699	1	ChEBML_69921	Inhibitory activity against GAR transformylase of Lactobacillus casei
50035699	2	ChEBML_54903	Inhibitory activity against dihydrofolate reductase of Lactobacillus casei
50000024	3	ChEMBL_1665903 (CHEMBL4015699)	Inhibition of ABCC1 in human H69AR cells assessed as reduction in calcein AM levels preincubated for 30 mins followed by calcein AM addition measured immediately at 60 sec time interval for 60 mins by fluorescence assay
50000024	4	ChEMBL_1665908 (CHEMBL4015704)	Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of SN-38 induced cytotoxicity by measuring cell viability after 72 hrs by MTT assay
50000024	5	ChEMBL_1665911 (CHEMBL4015707)	Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone induced cytotoxicity by measuring cell viability after 72 hrs by MTT assay
50000024	6	ChEMBL_1665912 (CHEMBL4015708)	Activation of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate reaction-based colorimetric analysis
50035700	2	ChEBML_196289	In vitro inhibitory activity towards porcine kidney renin
50035700	3	ChEMBL_196287 (CHEMBL806641)	In vitro inhibitory activity towards porcine kidney renin
50035701	2	ChEBML_31633	In vitro inhibitory activity towards partially purified calf lens aldose reductase; value ranges from 10E-6 - 10E-7
50035701	6	ChEBML_31767	In vitro inhibitory activity towards human placenta aldose reductase
50000024	7	ChEMBL_1665915 (CHEMBL4015711)	Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate reaction-based colorimetric analysis
50035701	8	ChEMBL_31767 (CHEMBL643094)	In vitro inhibitory activity towards human placenta aldose reductase
50000026	1	ChEMBL_1665929 (CHEMBL4015725)	Binding affinity to CD14/MD2 (unknown origin) expressed in HEK-Blue cells co-expressing TLR4 assessed as inhibition of LPS-induced TLR4 signaling preincubated for 30 mins followed by LPS stimulation measured after overnight incubation by secreted embryonic alkaline phosphatase reporter gene assay
50000027	1	ChEMBL_1665974 (CHEMBL4015770)	Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation counting method
50000027	2	ChEMBL_1665973 (CHEMBL4015769)	Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 after 2 hrs by liquid scintillation counting method
50000028	1	ChEMBL_1665979 (CHEMBL4015775)	Displacement of [3H]rosiglitazone from human PPARgamma LBD expressed in HEK293 cells by filtration assay
50000028	2	ChEMBL_1665975 (CHEMBL4015771)	Agonist activity at human GAL4 fused PPARgamma-Hinge-LBD expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay
50035704	1	ChEBML_58650	Inhibition of [3H]SCH-23,390 binding to Dopamine receptor D1 at 0.25 nM
50035704	3	ChEBML_62404	Inhibition of [3H]spiperone binding to Dopamine receptor D2 at 0.02 nM
50000028	3	ChEMBL_1665977 (CHEMBL4015773)	Agonist activity at human PPARgamma LBD expressed in HEK293 cells assessed as coactivator DRIP205 protein recruitment after 18 hrs by HTRF assay
50000029	1	ChEBML_1665991	Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cell reporter assay
50000029	2	ChEBML_1665992	Inhibition of GAL4 DNA binding domain fused PLZF BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cell reporter assay
50000029	4	ChEMBL_1665991 (CHEMBL4015787)	Inhibition of GAL4 DNA binding domain fused BCL6 BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cell reporter assay
50000029	3	ChEMBL_1666005 (CHEMBL4015801)	Agonist activity at 5-HT1B receptor (unknown origin)
50000029	5	ChEMBL_1665992 (CHEMBL4015788)	Inhibition of GAL4 DNA binding domain fused PLZF BTB domain (unknown origin) expressed in HEK 293T/17 cells after 24 hrs by Bright-Glo luciferase cell reporter assay
50035707	2	ChEBML_148709	Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)
50035707	3	ChEBML_146779	Binding affinity at Opioid receptor delta 1 in rat brain membrane was determined by using curve -fitting LIGAND([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)
50000030	1	ChEMBL_1666007 (CHEMBL4015803)	Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using PI:PS as substrate after 60 mins by ADP-Glo assay
50000030	2	ChEMBL_1666008 (CHEMBL4015804)	Inhibition of PI3Kdelta in human PBMC assessed as reduction in anti-human CD28 antibody stimulated IL-6 secretion levels after 72 hrs by ELISA
50000031	1	ChEMBL_1666036 (CHEMBL4015832)	Inhibition of human ERG expressed in CHO cells assessed as reduction in tail current at -40 holding potential by automated patch-clamp assay
50000031	2	ChEMBL_1666022 (CHEMBL4015818)	Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincubated for 30 mins followed by addition of [35S]GTPgammaS measured after 30 mins by [35S]GTPgammaS binding assay
50035709	1	ChEBML_60353	Ability to inhibit the binding of [3H]-SCH- 23390 to canine striatal membrane
50035710	2	ChEBML_210335	Competitive inhibition of the human thymidylate synthase at 28 uM of [dUMP]
50000031	3	ChEMBL_1666025 (CHEMBL4015821)	Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay
50035711	1	ChEBML_61751	Potency to displace the specific in vitro binding of [3H]DP-5,6-ADTN to rat striatal membrane
50035711	2	ChEMBL_61751 (CHEMBL676058)	Potency to displace the specific in vitro binding of [3H]DP-5,6-ADTN to rat striatal membrane
50035712	3	ChEBML_35352	Inhibitory activity against aminopeptidase B
50000031	4	ChEMBL_1666020 (CHEMBL4015816)	Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay
50000031	5	ChEMBL_1666013 (CHEMBL4015809)	Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes by radioligand binding assay
50000031	6	ChEMBL_1666014 (CHEMBL4015810)	Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes by radioligand binding assay
50035714	2	ChEMBL_42772 (CHEMBL660036)	Inhibition of [3H]nitrendipine binding to calcium channels in rabbit cardiac muscle
50000031	7	ChEMBL_1666010 (CHEMBL4015806)	Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by radioligand binding assay
50035715	6	ChEBML_49557	Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor
50000031	8	ChEMBL_1666011 (CHEMBL4015807)	Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by radioligand binding assay
50000031	9	ChEMBL_1666012 (CHEMBL4015808)	Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by radioligand binding assay
50000031	10	ChEMBL_1666016 (CHEMBL4015812)	Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes by radioligand binding assay
50000031	11	ChEMBL_1666009 (CHEMBL4015805)	Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes by radioligand binding assay
50000032	1	ChEMBL_1666041 (CHEMBL4015837)	Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by immunoprecipitation assay
50000032	2	ChEMBL_1666043 (CHEMBL4015839)	Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay
50000032	3	ChEMBL_1666042 (CHEMBL4015838)	Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay
50000032	4	ChEMBL_1666046 (CHEMBL4015842)	Induction of cIAP1 degradation in human MDA-MB-231 cells after 2 hrs
50000033	1	ChEMBL_1666071 (CHEMBL4015867)	Inhibition of human TMEM16A expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in ATP-induced Ca2+ activation-mediated chloride current by measuring decrease in iodide influx preincubated for 10 mins followed by ATP/iodide addition by fluorescence assay
50000033	2	ChEMBL_1666072 (CHEMBL4015868)	Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 5 mins followed by ATP addition by short-circuit current assay
50035716	4	ChEBML_62005	In vitro inhibition of [3H]dopamine uptake in rat brain synaptosomes
50035716	5	ChEMBL_140759 (CHEMBL748033)	In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes
50000033	3	ChEMBL_1666073 (CHEMBL4015869)	Inhibition of human TMEM16B expressed in FRT cells co-expressing iodide sensitive fluorescent protein YFP-H148Q/I152L/F46L assessed as reduction in ATP-induced Ca2+ activation-mediated chloride current by measuring decrease in iodide influx preincubated for 10 mins followed by ATP/iodide addition by fluorescence assay
50000033	4	ChEMBL_1666077 (CHEMBL4015873)	Inhibition of TMEM16A (unknown origin) expressed in Xenopus laevis oocytes at -60 mV holding potential by voltage-clamp assay
50000033	5	ChEMBL_1666074 (CHEMBL4015870)	Inhibition of human TMEM16A expressed in FRT cells assessed as reduction of ATP-induced in chloride conductance preincubated for 20 mins followed by ATP addition by short-circuit current assay
50000033	6	ChEMBL_1666092 (CHEMBL4015888)	Inhibition of TMEM16B (unknown origin) expressed in FRT cells assessed as reduction of ATP-induced chloride conductance preincubated for 20 mins followed by ATP addition by short-circuit current assay
50035716	9	ChEMBL_142629 (CHEMBL746897)	In vitro inhibition of [3H]norepinephrine uptake in rat brain synaptosomes
50000034	1	ChEMBL_1666098 (CHEMBL4015894)	Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diolein/oleyl-CoA as substrate after 30 mins by LC/MS/MS analysis
50035718	1	ChEBML_58693	Binding affinity against Dopamine receptor D2 using [3H]spiroperidol
50035719	1	ChEBML_153332	Inhibitory activity against purine nucleoside phosphorylase (PNPase )
50000034	2	ChEMBL_1666099 (CHEMBL4015895)	Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis
50035720	2	ChEBML_148839	Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes
50000034	3	ChEMBL_1666144 (CHEMBL4015940)	Inhibition of DGAT2 (unknown origin)
50000037	1	ChEMBL_1666151 (CHEMBL4015947)	Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs
50000037	2	ChEMBL_1666191 (CHEMBL4015987)	Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production by measuring plasma protein binding corrected IC50 after 3 hrs
50000037	3	ChEMBL_1666148 (CHEMBL4015944)	Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in presence of ATP measured after 60 mins by DELFIA method
50035720	7	ChEMBL_146894 (CHEMBL751668)	Ability to inhibit the binding of [3H]DSLET to Opioid receptor delta 1 in rat brain membranes
50000037	4	ChEMBL_1666152 (CHEMBL4015948)	Inhibition of human ERG
50000037	5	ChEMBL_1666192 (CHEMBL4015988)	Inhibition of IRAK4 in human whole blood assessed as reduction R848-induced IL-6 secretion by measuring plasma protein binding corrected IC50 preincubated for 30 mins prior to R848 addition after 4 hrs
50000037	6	ChEMBL_1666219 (CHEMBL4016015)	Inhibition of human recombinant VEGFR2 using CAGAGAIETDKEYYTVKD as substrate after 60 mins by Lance method
50000038	1	ChEMBL_1666223 (CHEMBL4016019)	Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite green assay
50035722	1	ChEBML_30977	Inhibition constant (Ki) against Human erythrocyte adenosine deaminase
50035722	2	ChEBML_30803	Inhibition constant (Ki) against calf intestine adenosine deaminase
50035724	1	ChEBML_152426	Inhibition of phenylethanolamine N-methyl-transferase (PNMT)
50000038	2	ChEMBL_1666235 (CHEMBL4016031)	Inhibition of SCD1 in human HepG2 cells assessed as ratio of cellular protein product over substrate after 72 hrs
50035726	2	ChEMBL_28975 (CHEMBL640777)	Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes
50035726	4	ChEMBL_29101 (CHEMBL857609)	Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes
50000039	1	ChEMBL_1666247 (CHEMBL4016043)	Inhibition of human DNA topoisomerase 1 using plasmid pBAD-GFPuv as substrate after 30 mins by agarose gel electrophoresis
50000040	6	ChEMBL_1666329 (CHEMBL4016125)	Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	1	ChEBML_1666328	Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	2	ChEBML_1666332	Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti-IgM stimulation for 10 mins by TR-FRET assay
50000040	7	ChEMBL_1666330 (CHEMBL4016126)	Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	8	ChEMBL_1666328 (CHEMBL4016124)	Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	4	ChEBML_1666331	Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	9	ChEMBL_1666331 (CHEMBL4016127)	Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000040	10	ChEMBL_1666332 (CHEMBL4016128)	Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti-IgM stimulation for 10 mins by TR-FRET assay
50035726	7	ChEBML_28975	Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes
50035727	1	ChEMBL_28828 (CHEMBL648313)	Binding affinity towards adenosine A1 receptor in rat brain membrane(KD)
50035728	1	ChEMBL_54449 (CHEMBL669303)	Inhibitory activity against dihydrofolate reductase(DHFR)
50035728	2	ChEBML_54449	Inhibitory activity against dihydrofolate reductase(DHFR)
50035729	1	ChEMBL_31121 (CHEMBL643549)	Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM)
50000040	5	ChEBML_1666329	Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50035730	5	ChEBML_156450	Inhibition of bovine cardiac phosphodiesterase fraction III
50000040	3	ChEBML_1666330	Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50000043	8	ChEMBL_1666426 (CHEMBL4016222)	Inhibition of BI-BODIPY binding to BRD4 bromodomain 1 (42 to 168 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000043	12	ChEMBL_1666425 (CHEMBL4016221)	Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000043	4	ChEBML_1666449	Binding affinity to 5FW-labeled BPTF (unknown origin) by PrOF NMR spectroscopic analysis
50000043	5	ChEMBL_1666451 (CHEMBL4016247)	Binding affinity to 5FW-labeled BRDT bromodomain 1 W81 residue (unknown origin) expressed in Escherichia coli BL21(DE3) by PrOF NMR spectroscopic analysis
50000043	7	ChEBML_1666425	Inhibition of BI-BODIPY binding to BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50035732	1	ChEBML_146151	Agonistic activity in mouse vas deferens
50000043	6	ChEMBL_1666452 (CHEMBL4016248)	Binding affinity to 5FW-labeled BRDT bromodomain 1 W50 residue (unknown origin) expressed in Escherichia coli BL21(DE3) by PrOF NMR spectroscopic analysis
50035734	1	ChEMBL_63033 (CHEMBL678336)	Inhibitory constant against binding of [125I]- IBZM to D2 receptor in rat striatal membrane
50035734	2	ChEBML_63034	Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane
50035734	4	ChEBML_60554	Affinity constant of compound was evaluated in human brain
50000043	2	ChEMBL_1666435 (CHEMBL4016231)	Binding affinity to human BRDT bromodomain 1 (21 to 137 residues) expressed in bacterial expression system by q-PCR-based bromoscan assay
50018121	2	ChEMBL_2264880	Inhibition of CYP1A2 (unknown origin)
50035738	1	ChEBML_209138	Inhibitory effect on Lactobacillus casei thymidylate synthase
50035738	2	ChEBML_209978	Inhibitory effect on murine leukemia (L1210) thymidylate synthase
50035738	3	ChEBML_209777	Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase
50000043	9	ChEMBL_1666428 (CHEMBL4016224)	Inhibition of biotin-labeled (+)-JQ1 binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by alpha screen assay
50000043	10	ChEMBL_1666430 (CHEMBL4016226)	Inhibition of biotin-labeled (+)-JQ1 binding to His-tagged BRDT bromodomain 1 (29 to 134 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by alpha screen assay
50000043	11	ChEBML_1666429	Inhibition of acetylated histone4 (1 to 21 residues) binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by alpha screen assay
50000043	3	ChEMBL_1666436 (CHEMBL4016232)	Binding affinity to human BRD4 bromodomain 1 (44 to 168 residues) expressed in bacterial expression system by qPCR-based bromoscan assay
50000043	1	ChEMBL_1666429 (CHEMBL4016225)	Inhibition of acetylated histone4 (1 to 21 residues) binding to His-tagged BRD4 bromodomain 1 (42 to 168 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by alpha screen assay
50000044	1	ChEMBL_1666483 (CHEMBL4016279)	Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins followed by addition of NADPH regenerating system measured for 15 mins by EROD assay
50000045	1	ChEMBL_1666539 (CHEMBL4016335)	Inhibition of 11beta-HSD1 in human microsomes using [3H]cortisone as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by SPA
50000045	2	ChEMBL_1666540 (CHEMBL4016336)	Inhibition of mouse 11beta-HSD1
50035742	2	ChEBML_208561	Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells
50000045	3	ChEMBL_1666547 (CHEMBL4016343)	Activation of PXR (unknown origin)
50035743	3	ChEBML_138792	Inhibition of [3H]pirenzepine binding to rat brain membrane Muscarinic acetylcholine receptor M1
50000045	4	ChEMBL_1666552 (CHEMBL4016348)	Inhibition of mouse 11beta-HSD2
50000045	5	ChEMBL_1666554 (CHEMBL4016350)	Inhibition of rat 11beta-HSD1
50000045	6	ChEMBL_1666562 (CHEMBL4016358)	Inhibition of CYP1A2 (unknown origin)
50000045	7	ChEMBL_1666563 (CHEMBL4016359)	Inhibition of CYP2A6 (unknown origin)
50000045	8	ChEMBL_1666565 (CHEMBL4016361)	Inhibition of CYP2C8 (unknown origin)
50000045	9	ChEMBL_1666566 (CHEMBL4016362)	Inhibition of CYP2C9 (unknown origin)
50000045	10	ChEMBL_1666567 (CHEMBL4016363)	Inhibition of CYP2C19 (unknown origin)
50000045	11	ChEMBL_1666569 (CHEMBL4016365)	Inhibition of CYP2E1 (unknown origin)
50000045	12	ChEMBL_1666570 (CHEMBL4016366)	Inhibition of CYP3A4 (unknown origin)
50000045	13	ChEMBL_1666586 (CHEMBL4016382)	Inhibition of human 11beta-HSD1 expressed in HEK cells
50000045	14	ChEMBL_1666588 (CHEMBL4016384)	Inhibition of 11beta-HSD1 in mouse 3T3L1 cells
50035745	2	ChEMBL_68545 (CHEMBL677130)	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse
50035745	3	ChEMBL_68522 (CHEMBL676946)	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human
50035745	4	ChEMBL_68544 (CHEMBL677129)	Inhibitory constant against purified Folyl-polyglutamate synthase from mouse liver
50035745	5	ChEBML_68680	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from rat
50035745	6	ChEBML_68382	Inhibitory constant against purified Folyl-polyglutamate synthase obtained from hog
50035748	1	ChEBML_195781	In vitro inhibitory activity against renin from lyophilized human plasma
50035749	1	ChEBML_1423	In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.
50035749	2	ChEBML_62891	In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue
50035751	1	ChEBML_3966	Inhibition of 5-lipoxygenase from rat peritoneal neutrophils after oral administration
50000045	15	ChEMBL_1666553 (CHEMBL4016349)	Inhibition of rat 11beta-HSD2
50000045	16	ChEMBL_1666564 (CHEMBL4016360)	Inhibition of CYP2B6 (unknown origin)
50000045	17	ChEMBL_1666568 (CHEMBL4016364)	Inhibition of CYP2D6 (unknown origin)
50000046	1	ChEMBL_1666642 (CHEMBL4016438)	Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay
50035752	2	ChEBML_184442	Evaluated for the phosphatidyl inositol turnover at Muscarinic acetylcholine receptor M1 in rat cortex
50000046	2	ChEMBL_1666649 (CHEMBL4016445)	Inhibition of human ERG expressed in CHO cells after 30 mins by BTC-AM dye based thallium flux assay
50035752	5	ChEBML_140160	Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum
50000047	1	ChEMBL_1666662 (CHEMBL4016458)	Agonist activity at human TLR3 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	2	ChEMBL_1666666 (CHEMBL4016462)	Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	3	ChEMBL_1666668 (CHEMBL4016464)	Agonist activity at human TLR5 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	4	ChEMBL_1666669 (CHEMBL4016465)	Agonist activity at human TLR7 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	5	ChEMBL_1666671 (CHEMBL4016467)	Agonist activity at human TLR9 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	6	ChEMBL_1666667 (CHEMBL4016463)	Agonist activity at human TLR4 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000047	7	ChEMBL_1666670 (CHEMBL4016466)	Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kB activation-mediated SEAP production after 24 hrs by HTS assay
50000049	1	ChEMBL_1666697 (CHEMBL4016493)	Antagonist activity at human NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs followed by C12-iE-DAP addition measured after 20 hrs by by SEAP reporter gene assay
50000049	2	ChEMBL_1666701 (CHEMBL4016497)	Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followed by MDP addition measured after 20 hrs by by SEAP reporter gene assay
50035756	5	ChEMBL_122439 (CHEMBL729490)	Competitive inhibition of Bovine liver Monoamine Oxidase B at 30 degree C (pH= 9.0)
50035756	6	ChEBML_122439	Competitive inhibition of Bovine liver Monoamine Oxidase B at 30 degree C (pH= 9.0)
50035757	1	ChEBML_52533	Inhibition of cytidine deaminase enzyme obtained from mouse kidney
50035760	1	ChEBML_196299	Inhibitory activity against rat plasma renin in vitro.
50035760	2	ChEBML_195759	Compound was tested for its inhibitory activity against human plasma renin
50035761	1	ChEBML_197203	Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase
50035761	2	ChEMBL_197203 (CHEMBL798952)	Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolase
50035761	3	ChEBML_197366	Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cells
50035762	1	ChEBML_221791	Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)
50000050	1	ChEMBL_1666744 (CHEMBL4016540)	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate after 3 hrs by ADP-Glo assay
50000050	2	ChEMBL_1666773 (CHEMBL4016569)	Inhibition of human ERG by patch clamp assay
50000050	3	ChEMBL_1666774 (CHEMBL4016570)	Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay
50035763	1	ChEBML_221795	Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus
50000050	4	ChEMBL_1666775 (CHEMBL4016571)	Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay
50000050	5	ChEMBL_1666776 (CHEMBL4016572)	Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate after 30 mins by ADP-Glo assay
50000050	6	ChEMBL_1666780 (CHEMBL4016576)	Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000050	7	ChEMBL_1666779 (CHEMBL4016575)	Inhibition of MNK1 (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000050	8	ChEMBL_1666781 (CHEMBL4016577)	Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000050	9	ChEMBL_1666783 (CHEMBL4016579)	Inhibition of CLK4 (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000050	10	ChEMBL_1666848 (CHEMBL4016644)	Inhibition of PI3Kdelta (unknown origin)
50000050	11	ChEMBL_1666850 (CHEMBL4016646)	Inhibition of PI3Kgamma (unknown origin)
50000050	12	ChEMBL_1666851 (CHEMBL4016647)	Inhibition of PI3Kalpha (unknown origin)
50000050	13	ChEMBL_1666852 (CHEMBL4016648)	Inhibition of PI3Kbeta (unknown origin)
50000050	14	ChEMBL_1666755 (CHEMBL4016551)	Inhibition of CYP2C19 (unknown origin)
50000050	15	ChEMBL_1666756 (CHEMBL4016552)	Inhibition of CYP2D6 (unknown origin)
50000050	16	ChEMBL_1666757 (CHEMBL4016553)	Inhibition of CYP3A4 (unknown origin)
50000050	17	ChEMBL_1666750 (CHEMBL4016546)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-CD3/anti-CD28-mediated IFNgamma production preincubated for 1 hr followed by anti-CD3/anti-CD28 activation measured after overnight incubation by AlphaLisa assay
50000050	18	ChEMBL_1666751 (CHEMBL4016547)	Inhibition of CYP1A2 (unknown origin)
50000050	19	ChEMBL_1666752 (CHEMBL4016548)	Inhibition of CYP2B6 (unknown origin)
50000050	20	ChEMBL_1666753 (CHEMBL4016549)	Inhibition of CYP2C8 (unknown origin)
50000050	21	ChEMBL_1666754 (CHEMBL4016550)	Inhibition of CYP2C9 (unknown origin)
50000050	22	ChEMBL_1666747 (CHEMBL4016543)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgD-mediated B-cell activation by measuring decrease in CD19+ cells expressing CD69 preincubated for 1 hr followed by IgD activation measured after overnight incubation
50000050	23	ChEMBL_1666778 (CHEMBL4016574)	Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000050	24	ChEMBL_1666828 (CHEMBL4016624)	Inhibition of PI3Kdelta in mouse whole blood
50000051	1	ChEMBL_1666878 (CHEMBL4016674)	Agonist activity at mouse NMUR1 expressed in HEK293 cells assessed as induction of calcium mobilization after 18 hrs by Fluo-4 AM dye based FLIPR assay
50000051	2	ChEMBL_1666866 (CHEMBL4016662)	Agonist activity at human NMUR1 expressed in CHO cells assessed as induction of Ca2+ flux after 18 hrs by Fluo-4 AM dye based FLIPR assay
50035766	1	ChEMBL_197369 (CHEMBL800622)	Inhibition of S-adenosyl-homocysteine (AdoHcy)hydrolase from rabbit erythrocytes
50035766	2	ChEBML_197369	Inhibition of S-adenosyl-homocysteine (AdoHcy)hydrolase from rabbit erythrocytes
50000052	1	ChEMBL_1666888 (CHEMBL4016684)	Allosteric inhibition of human recombinant full length N-terminal GST-tagged GSK3beta expressed in fall armyworm Sf9 cells after 30 min in presence of ATP by kinase glo luminescent assay
50000053	1	ChEMBL_1666913 (CHEMBL4016709)	Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/Cyclin B1 (M1 to V433 residues) expressed in sf9 cells using RB-CTF as substrate by filter binding assay
50000053	2	ChEMBL_1666914 (CHEMBL4016710)	Inhibition of recombinant human N-terminal GST-tagged CDK5 (M1 to P292 residues)/p35NCK (M1 to R307 residues) expressed in baculovirus infected sf9 cells using RB-CTF as substrate by filter binding assay
50000053	3	ChEMBL_1666916 (CHEMBL4016712)	Inhibition of IGF1R (unknown origin) by ADP-Glo assay
50000053	4	ChEMBL_1666917 (CHEMBL4016713)	Inhibition of CDK1/Cyclin B (unknown origin) expressed in starfish oocytes using histone h1 as substrate after 10 mins in presence of [gamma32P]ATP by scintillation counting method
50000053	5	ChEMBL_1666918 (CHEMBL4016714)	Inhibition of CDK2/CyclinA (unknown origin)
50000053	6	ChEMBL_1666920 (CHEMBL4016716)	Inhibition of CDK4/Cyclin D1 (unknown origin)
50000053	7	ChEMBL_1666921 (CHEMBL4016717)	Inhibition of CDK5/p35NCK (unknown origin)
50000053	8	ChEMBL_1666897 (CHEMBL4016693)	Inhibition of IGF1R (unknown origin)
50000053	9	ChEMBL_1666901 (CHEMBL4016697)	Inhibition of full length human C-terminal His6-tagged CDK1/N-terminal GST-tagged CyclinB expressed in baculovirus infected sf21 cells after 10 mins in presence of [gamma32P]ATP by beta counting method
50000053	10	ChEMBL_1666902 (CHEMBL4016698)	Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinA expressed in baculovirus infected sf21 cells after 10 mins in presence of [gamma32P]ATP by beta counting method
50000053	11	ChEMBL_1666903 (CHEMBL4016699)	Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinE expressed in baculovirus infected sf21 cells after 10 mins in presence of [gamma32P]ATP by beta counting method
50035769	1	ChEBML_32099	Inhibitory concentration against aldose reductase obtained from rat lens
50035770	1	ChEBML_89038	Inhibition of compound against indole N-methyl transferase
50000053	12	ChEMBL_1666904 (CHEMBL4016700)	Inhibition of full length human N-terminal His6-tagged CDK6/N-terminal GST-tagged CyclinD3 expressed in sf21 cells after 10 mins in presence of [gamma32P]ATP by beta counting method
50035771	2	ChEMBL_157091 (CHEMBL763994)	Binding affinity for formation of reversible enzyme-ligand complexes with human placental aromatase (PL2)
50035772	2	ChEMBL_157962 (CHEMBL767492)	Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)
50035772	4	ChEMBL_157963 (CHEMBL767493)	Binding potency towards Prostaglandin F2 alpha receptor (competitive binding) with natural [3H]-PGF 2 alpha in ovine luteal cells (OLC)
50000053	13	ChEMBL_1666905 (CHEMBL4016701)	Inhibition of recombinant GSK3beta (unknown origin) after 10 mins in presence of [gamma32P]ATP by beta counting method
50000053	14	ChEMBL_1666912 (CHEMBL4016708)	Inhibition of human N-terminal GST/His6-tagged GSK3beta (M1 to T420 residues) expressed in baculovirus infected sf9 cells using RBER-IRStide as substrate by filter binding assay
50000053	15	ChEMBL_1666919 (CHEMBL4016715)	Inhibition of CDK2/CyclinE (unknown origin)
50000054	1	ChEMBL_1667019 (CHEMBL4016815)	Inhibition of human liver microsomes CYP3A4 using testosterone as substrate
50000054	2	ChEMBL_1667018 (CHEMBL4016814)	Inhibition of human liver microsomes CYP3A4 using midazolam as substrate preincubated with compound followed by substrate addition
50000054	3	ChEMBL_1667017 (CHEMBL4016813)	Inhibition of human liver microsomes CYP3A4 using midazolam as substrate
50000054	4	ChEMBL_1667015 (CHEMBL4016811)	Inhibition of human liver microsomes CYP2C19 using S-mephenytoin as substrate
50000054	5	ChEMBL_1667014 (CHEMBL4016810)	Inhibition of human liver microsomes CYP2C9 using diclofenac as substrate
50000054	6	ChEMBL_1667013 (CHEMBL4016809)	Inhibition of human liver microsomes CYP2C8 using amodiaquine as substrate
50000054	7	ChEMBL_1667011 (CHEMBL4016807)	Inhibition of human liver microsomes CYP2A6 using coumarin as substrate
50000054	8	ChEMBL_1667010 (CHEMBL4016806)	Inhibition of human liver microsomes CYP1A2 using phenacetin as substrate
50000054	9	ChEMBL_1667020 (CHEMBL4016816)	Inhibition of human liver microsomes CYP3A4 using testosterone as substrate preincubated with compound followed by substrate addition
50000054	10	ChEMBL_1667016 (CHEMBL4016812)	Inhibition of human liver microsomes CYP2D6 using dextromethorphan as substrate
50000054	11	ChEMBL_1667012 (CHEMBL4016808)	Inhibition of human liver microsomes CYP2B6 using bupropion as substrate
50000056	1	ChEMBL_1667065 (CHEMBL4016861)	Inhibition of recombinant GST-tagged mouse CLK4 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation counting method
50000056	2	ChEMBL_1667062 (CHEMBL4016858)	Inhibition of recombinant GST-tagged mouse CLK2 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation counting method
50000056	3	ChEMBL_1667056 (CHEMBL4016852)	Inhibition of full length recombinant GST-tagged human DYRK1B expressed in baculovirus using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins
50000056	4	ChEMBL_1667049 (CHEMBL4016845)	Inhibition of N-terminal His6-tagged recombinant human Dyrk1A expressed in Escherichia coli BL21 (DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins in presence of [gamma-32]-ATP
50000056	5	ChEMBL_1667053 (CHEMBL4016849)	Inhibition of human C-terminus CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) using AFRREWSPGKEAKK as substrate preincubated for 10 mins followed by ATP addition by pyruvate kinase-lactate dehydrogenase coupled assay
50000056	6	ChEMBL_1667050 (CHEMBL4016846)	Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-32]-ATP
50000056	7	ChEMBL_1667082 (CHEMBL4016878)	Inhibition of CLK1/4 in human T24 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis
50000056	8	ChEMBL_1667083 (CHEMBL4016879)	Inhibition of CLK1/4 in human T24 cells assessed as down regulation of HDAC1 expression after 3 days by Western blot analysis
50000056	9	ChEMBL_1667084 (CHEMBL4016880)	Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of EGFR expression after 3 days by Western blot analysis
50000056	10	ChEMBL_1667085 (CHEMBL4016881)	Inhibition of CLK1/4 in human MDA-MB-231 cells assessed as down regulation of S6 kinase expression after 3 days by Western blot analysis
50000056	11	ChEMBL_1667054 (CHEMBL4016850)	Inhibition of GST-tagged mouse CLK4 expressed in Escherichia coli using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate after 10 mins in presence of [gamma-32]-ATP by scintillation counting method
50000057	1	ChEMBL_1667115 (CHEMBL4016911)	Inhibition of rat CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis
50000057	2	ChEBML_1667113	Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis
50000057	3	ChEBML_1667112	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis
50035777	1	ChEMBL_854 (CHEMBL615910)	In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]-8-OH-DPAT as the radioligand
50035777	2	ChEMBL_61440 (CHEMBL671413)	In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand.
50035777	3	ChEMBL_61439 (CHEMBL671412)	In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand
50035777	4	ChEMBL_58324 (CHEMBL671783)	In vitro binding activity against Dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand
50035777	5	ChEMBL_58325 (CHEMBL671784)	In vitro binding activity against dopamine D1 receptor from homogenized rat brain, using [3H]SCH-23390 as the radioligand
50035777	6	ChEBML_856	In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand
50035777	7	ChEMBL_856 (CHEMBL615912)	In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]8-OH-DPAT as the radioligand
50035777	8	ChEBML_58324	In vitro binding activity against Dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand
50035777	9	ChEBML_61439	In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand
50035779	1	ChEBML_59321	Inhibitory activity against dDopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand
50035779	2	ChEMBL_59319 (CHEMBL667090)	Inhibitory activity against Dopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand
50035779	3	ChEMBL_59318 (CHEMBL667089)	Inhibitory activity Dopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand
50035779	4	ChEMBL_59321 (CHEMBL667092)	Inhibitory activity against dDopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand
50035781	2	ChEBML_45241	The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase
50035783	1	ChEBML_58699	Inhibition of [3H]spiperone binding to Dopamine receptor D2 from striatum of the rat brain
50035783	2	ChEMBL_58702 (CHEMBL672047)	Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum
50035784	1	ChEBML_34768	Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate
50000057	6	ChEMBL_1667112 (CHEMBL4016908)	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis
50000057	7	ChEMBL_1667148 (CHEMBL4016944)	Inhibition of CYP11B1 in Sprague-Dawley rat adrenal tissue using 11-deoxycorticosterone as substrate after 4 hrs by SPA
50000057	5	ChEMBL_1667133 (CHEMBL4016929)	Inhibition of human ERG after 3.5 hrs by fluorescence polarization assay
50000059	1	ChEMBL_1667226 (CHEMBL4017022)	Inhibition of HDAC1/2/3/6 in human A2780cisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition measured after 3 hrs by fluorescence assay
50000059	2	ChEMBL_1667227 (CHEMBL4017023)	Inhibition of HDAC1/2/3/6 in human Cal27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition measured after 3 hrs by fluorescence assay
50000059	3	ChEMBL_1667225 (CHEMBL4017021)	Inhibition of HDAC1/2/3/6 in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition measured after 3 hrs by fluorescence assay
50000059	4	ChEMBL_1667231 (CHEMBL4017027)	Inhibition of C-terminal FLAG/His-tagged recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50000059	5	ChEMBL_1667232 (CHEMBL4017028)	Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50000059	6	ChEMBL_1667233 (CHEMBL4017029)	Inhibition of full length human recombinant C-terminal His-tagged HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay
50035788	1	ChEBML_152563	The compound was tested for In vitro inhibitory activity against Phenylethanolamine N-Methyltransferase (PNMT)
50035788	2	ChEMBL_152563 (CHEMBL759585)	The compound was tested for In vitro inhibitory activity against Phenylethanolamine N-Methyltransferase (PNMT)
50035788	3	ChEMBL_152424 (CHEMBL763771)	In vitro inhibitory activity against Phenylethanolamine N-methyl-transferase (PNMT)
50035789	1	ChEBML_27812	Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)
50035789	2	ChEBML_27967	Inhibition of eel acetylcholinesterase (AChE) activity by 50% 
50035789	4	ChEBML_27371	Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)
50000059	7	ChEMBL_1667234 (CHEMBL4017030)	Inhibition of full length human recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay
50000059	8	ChEMBL_1667235 (CHEMBL4017031)	Inhibition of human recombinant HDAC8 expressed in Escherichia coli using Z-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate measured after 90 mins by fluorescence assay
50000059	9	ChEMBL_1667238 (CHEMBL4017034)	Inhibition of human ERG
50000059	10	ChEMBL_1667249 (CHEMBL4017045)	Inhibition of HDAC1/2/3/6 in human Cal27CisR cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition measured after 3 hrs by fluorescence assay
50035791	3	ChEBML_51028	Inactivation rate (Ki) of human placental Cytochrome P450 19A1
50035791	4	ChEMBL_51028 (CHEMBL664585)	Inactivation rate (Ki) of human placental Cytochrome P450 19A1
50035792	1	ChEMBL_3977 (CHEMBL619250)	Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.
50035792	2	ChEBML_3978	Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.
50035792	4	ChEBML_3977	Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.
50035792	5	ChEMBL_3978 (CHEMBL619251)	Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.
50035792	6	ChEMBL_3976 (CHEMBL619249)	Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.
50000060	1	ChEMBL_1667308 (CHEMBL4017104)	Binding affinity to PDE2A in rat striatal membranes after 30 mins by liquid scintillation counting method
50000060	2	ChEMBL_1667258 (CHEMBL4017054)	Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay
50035795	1	ChEMBL_1178 (CHEMBL615944)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 12 to 17
50035795	2	ChEMBL_62579 (CHEMBL671510)	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures and the value ranges from 116 - 159.
50035795	3	ChEMBL_1184 (CHEMBL615950)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 48 to 59
50035795	4	ChEMBL_62577 (CHEMBL671508)	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures
50035795	5	ChEMBL_1191 (CHEMBL615957)	In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus. and the value ranges from 16 - 27
50035795	6	ChEMBL_1185 (CHEMBL615951)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 3 -5
50035795	7	ChEMBL_62581 (CHEMBL671512)	In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures
50035795	8	ChEMBL_1188 (CHEMBL615954)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 6 - 13
50035795	9	ChEBML_62579	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures and the value ranges from 116 - 159.
50035795	10	ChEMBL_1177 (CHEMBL615943)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus
50035795	12	ChEMBL_1186 (CHEMBL615952)	In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 15 - 31
50035795	13	ChEMBL_62578 (CHEMBL671509)	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures (95%CI) from 375-661
50035795	14	ChEMBL_1179 (CHEMBL615945)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 391-841
50035795	15	ChEMBL_1180 (CHEMBL615946)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 17.
50035795	16	ChEMBL_1183 (CHEMBL615949)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 25 - 84
50035795	17	ChEMBL_1187 (CHEMBL615953)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 27 - 42
50035795	18	ChEMBL_1182 (CHEMBL615948)	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 245 to 736
50035795	19	ChEBML_1177	In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus
50035796	1	ChEBML_28977	Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.
50035796	2	ChEMBL_28852 (CHEMBL643394)	Affinity for A1 adenosine receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain
50035796	3	ChEMBL_28980 (CHEMBL640782)	Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.
50035796	6	ChEMBL_29271 (CHEMBL641206)	Affinity for Adenosine A1 receptor using [125I]APNEA in calf brain.
50035796	8	ChEBML_29270	Affinity for Adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain
50035796	9	ChEMBL_29270 (CHEMBL641205)	Affinity for Adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain
50000060	3	ChEMBL_1667332 (CHEMBL4017128)	Inhibition of PDE2A (unknown origin)
50000061	1	ChEMBL_1667343 (CHEMBL4017139)	Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50000061	2	ChEMBL_1667344 (CHEMBL4017140)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50035799	2	ChEBML_70040	Thermodynamic dissociation constant (KD) was measured upon binding to GAR TFase in mice
50035800	1	ChEMBL_103129 (CHEMBL712300)	Compound was evaluated for the inhibition of rat liver MTA phosphorylase
50035800	2	ChEBML_103129	Compound was evaluated for the inhibition of rat liver MTA phosphorylase
50000061	3	ChEMBL_1667345 (CHEMBL4017141)	Inhibition of human HDAC8 using Z-L-Lys(epsilon-trifluoroacetyl)-AMC as substrate measured after 90 mins by fluorescence assay
50035801	4	ChEBML_58528	Ability to bind at dopamine receptor D2 of rat corpus striatum by displacing [3H]spiperone
50035801	6	ChEMBL_819 (CHEMBL615819)	Ability to bind at serotonin 5-hydroxytryptamine 1A receptors of rat hippocampus by displacing [3H]8-OH-DPAT
50000061	4	ChEMBL_1667346 (CHEMBL4017142)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 expressed in insect cells using Boc-K(Ac)-AMC as substrate by fluorescence assay
50035801	7	ChEMBL_58528 (CHEMBL672021)	Ability to bind at dopamine receptor D2 of rat corpus striatum by displacing [3H]spiperone
50000062	1	ChEMBL_1667493 (CHEMBL4017289)	Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000062	2	ChEMBL_1667494 (CHEMBL4017290)	Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000062	3	ChEMBL_1667495 (CHEMBL4017291)	Inhibition of full length recombinant human N-terminal FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50035801	9	ChEBML_818	Ability to bind at 5-hydroxytryptamine 1A receptor of rat hippocampus by displacing [3H]8-OH-DPAT
50000062	4	ChEMBL_1667492 (CHEMBL4017288)	Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000062	5	ChEMBL_1667503 (CHEMBL4017299)	Inhibition of full length recombinant human N-terminal His-tagged BRR2 helicase activity expressed in baculovirus infected Sf9 cells assessed as reduction in RNA unwinding using 5'-[FITC]-UUCCCCUGCAUAAC-3'/5'-GUUAUGCAGGGGAACCAACGCAUAUCAGUGAGGAUU-3' RNA as substrate after 10 mins by PAGE analysis
50035802	1	ChEBML_154847	Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor
50035802	2	ChEBML_201888	Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor
50035802	3	ChEBML_154221	Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to PCP receptor
50000063	1	ChEMBL_1667508 (CHEMBL4017304)	Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by UPLC-MS analysis
50000064	1	ChEMBL_1667555 (CHEMBL4017351)	Inhibition of human DNA polymerase alpha using 5' end radiolabeled 24nt DNA/48nt DNA as primer/template after 5 mins by PAGE analysis
50000064	2	ChEMBL_1667556 (CHEMBL4017352)	Inhibition of human DNA polymerase beta using 5' end radiolabeled 24nt DNA/48nt DNA as primer/template after 5 mins by PAGE analysis
50000064	3	ChEMBL_1667565 (CHEMBL4017361)	Inhibition of human CYP3A4 using ketoconazole as substrate
50000064	4	ChEMBL_1667566 (CHEMBL4017362)	Inhibition of human CYP2C9 using sulfaphenazole as substrate
50000064	5	ChEMBL_1667567 (CHEMBL4017363)	Inhibition of human CYP1A2 using alpha-naphthoflavone as substrate
50000064	6	ChEMBL_1667568 (CHEMBL4017364)	Inhibition of human CYP2D6 using quinidine as substrate
50035805	6	ChEBML_36004	Compound was evaluated for the inhibition of Angiotensin I converting enzyme
50000065	1	ChEMBL_1667595 (CHEMBL4017391)	Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed by addition of PD1-Ig measured after 15 mins by HTRF assay
50035805	9	ChEMBL_35345 (CHEMBL643874)	Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver
50035805	3	ChEBML_35354	Non-competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver; Ki value reporting the intercept effect(Kii)
50035805	10	ChEMBL_35351 (CHEMBL647933)	Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver
50000065	2	ChEMBL_1667594 (CHEMBL4017390)	Binding affinity to 15N-labeled human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21(DE3) by 1H-15N 2D HMQC NMR spectroscopic analysis
50035805	14	ChEMBL_35341 (CHEMBL646059)	Competitive inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver
50035805	16	ChEBML_154148	Inhibition of enzyme pepsin
50000066	1	ChEMBL_1667606 (CHEMBL4017402)	Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50000066	2	ChEMBL_1667607 (CHEMBL4017403)	Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50035805	19	ChEMBL_35485 (CHEMBL644596)	Inhibition of aminopeptidase M or membrane leucine aminopeptidase; Ki value reporting the slope effect(Kis)
50035805	21	ChEBML_196435	Inhibition of enzyme renin
50000066	3	ChEMBL_1667616 (CHEMBL4017412)	Inhibition of MMP13 (unknown origin)-mediated type-2 collagen cleavage assessed as increase in intact collagen after 24 hrs by SDS-PAGE analysis
50000066	4	ChEMBL_1667601 (CHEMBL4017397)	Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by Lineweaver-Burk plot analysis
50000066	5	ChEMBL_1667602 (CHEMBL4017398)	Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50000066	6	ChEMBL_1667635 (CHEMBL4017431)	Inhibition of recombinant human MMP3 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay
50000066	7	ChEMBL_1667637 (CHEMBL4017433)	Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assay
50000066	8	ChEMBL_1667603 (CHEMBL4017399)	Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50035807	1	ChEMBL_138159 (CHEMBL748223)	Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the muscarinic acetylcholine receptor M2 subtypes
50035807	2	ChEBML_41436	Anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase
50035807	3	ChEBML_138126	Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the Muscarinic acetylcholine receptor M1 subtypes
50035807	5	ChEMBL_140183 (CHEMBL744900)	Binding affinity was determined from the inhibition of contraction of guinea pig ileum which has Muscarinic acetylcholine receptor M2 subtype.
50035807	6	ChEMBL_138128 (CHEMBL747250)	Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the muscarinic acetylcholine receptor M1
50035807	7	ChEMBL_41436 (CHEMBL654415)	Anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase
50000066	9	ChEMBL_1667604 (CHEMBL4017400)	Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50035808	1	ChEBML_152590	Binding affinity for phenylethanolamine N-methyl-transferase was determined.
50035808	2	ChEBML_152586	Binding affinity for phenylethanolamine N-methyl-transferase was determined.
50035809	1	ChEMBL_36012 (CHEMBL644719)	Compound tested in vivo for inhibition of Angiotensin I converting enzyme in rat
50035809	2	ChEBML_35985	Compound tested in vitro for inhibition of Angiotensin I converting enzyme
50035809	3	ChEBML_36011	Compound tested in vitro for inhibition of Angiotensin I converting enzyme
50035810	1	ChEMBL_145957 (CHEMBL752206)	Binding affinity towards Opioid receptor kappa 1 was determined
50035810	4	ChEMBL_149320 (CHEMBL756355)	Binding affinity towards Opioid receptor mu 1 was determined
50035810	5	ChEBML_149320	Binding affinity towards Opioid receptor mu 1 was determined
50000066	10	ChEMBL_1667605 (CHEMBL4017401)	Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluorescence assay
50035813	2	ChEMBL_29632 (CHEMBL639739)	Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.
50000068	1	ChEMBL_1667662 (CHEMBL4017550)	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method
50035815	2	ChEBML_29628	Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to A1 receptors in rat cortical membranes
50035815	3	ChEMBL_29628 (CHEMBL636646)	Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to A1 receptors in rat cortical membranes
50035815	4	ChEMBL_29630 (CHEMBL873035)	Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to adenosine A1 receptors in rat cortical membranes
50035815	7	ChEMBL_223732 (CHEMBL844474)	Inhibition of 1 nM [3H]N-6-(phenylisopropyl)adenosine binding to A1 receptors in rat cortical membranes
50035816	1	ChEBML_1097	Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT
50035816	2	ChEBML_62238	Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone
50035817	2	ChEBML_62411	Compound was evaluated for binding affinity towards Dopamine receptor D2 using [3H]SULP in rat
50035818	1	ChEBML_105324	Inhibitory activity against Mannosidase in jack bean (Canavalia ensiformis)
50035821	1	ChEMBL_35818 (CHEMBL648589)	Inhibition of rat androgen binding protein (rABP)
50035821	2	ChEBML_35818	Inhibition of rat androgen binding protein (rABP)
50035821	3	ChEBML_226369	Inhibition of hSHBG (human sex hormone binding globulin )
50035823	2	ChEMBL_122788 (CHEMBL879405)	Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)
50035823	3	ChEBML_123766	Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)
50035823	4	ChEMBL_122785 (CHEMBL730893)	Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)
50035823	5	ChEMBL_123767 (CHEMBL732530)	Compounds were tested for inhibition against human liver Monoamine oxidase B (mixed inhibition was observed)
50035824	1	ChEBML_62898	Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand
50035824	2	ChEMBL_62073 (CHEMBL672373)	Evaluated in vivo for the affinity towards Dopamine receptor D2 of rat striatal tissue
50035828	6	ChEMBL_208193 (CHEMBL819096)	Inhibitory affect against rabbit thymus thymidine kinase
50035828	7	ChEBML_208196	Inhibitory affect against rabbit thymus thymidine kinase
50035829	5	ChEBML_49494	Inhibition of bacterial Collagenase
50035831	1	ChEMBL_61590 (CHEMBL675762)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (15% inhibition at 10 e-6 M)
50035831	3	ChEBML_58332	Inhibition of binding of [3H]SCH-23390 to Dopamine receptor D1 was determined
50035831	6	ChEMBL_61591 (CHEMBL675763)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (2% inhibition at 10 e-6 M)
50035831	7	ChEMBL_61594 (CHEMBL675766)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (41% inhibition at 10 e-6 M)
50035831	8	ChEMBL_61593 (CHEMBL675765)	Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (36%inhibition at 10 e-6 M)
50035831	10	ChEMBL_59157 (CHEMBL671188)	Inhibition of [3H]N-propylnorapomorphine as radioligand for Dopamine receptor D2 in rat striatal membranes
50035832	1	ChEBML_3891	Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line
50035833	1	ChEBML_62705	Dopamine receptor D2 affinity was tested in vitro against corpus striatum from rat brain membranes
50035833	3	ChEBML_58662	Dopamine receptor D1 affinity was tested in vitro against corpus striatum from rat brain membranes
50035834	1	ChEBML_51212	In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome
50035837	3	ChEBML_33452	Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand
50035837	4	ChEBML_201408	Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand
50035837	5	ChEBML_39033	Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand
50035837	7	ChEBML_32912	Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand
50035837	8	ChEBML_140152	Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand
50035837	9	ChEBML_1837	Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand
50035837	10	ChEBML_1878	Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand
50035837	11	ChEBML_58987	Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand
50035837	12	ChEBML_61286	Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand
50035837	13	ChEBML_149455	Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand
50035837	15	ChEBML_1987	Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand
50035837	16	ChEBML_2241	Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand
50035838	1	ChEBML_3121	In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells
50035840	3	ChEBML_56503	Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs
50035840	6	ChEMBL_56503 (CHEMBL667338)	Tested for beta1-receptor selectivity in canine cardiac tissue in anesthetized dogs
50035841	1	ChEBML_177401	Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes
50035842	2	ChEMBL_50551 (CHEMBL660329)	Binding affinity for Cytochrome P450 19A1
50035842	3	ChEMBL_51210 (CHEMBL664329)	Binding affinity for Cytochrome P450 19A1
50035842	4	ChEBML_51211	Binding affinity for Cytochrome P450 19A1
50000068	2	ChEMBL_1667663 (CHEMBL4017551)	Inhibition of BSEP in Sprague-Dawley rat canalicular membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptake
50035844	2	ChEBML_47834	Displacement of [125I]BH-CCK-8 from Cholecystokinin type B receptor of guinea pig cortex
50035845	1	ChEBML_212532	Inhibition against Trypsin
50035845	2	ChEBML_213160	Inhibition against Urokinase-type plasminogen activator
50035845	3	ChEBML_207891	The compound was tested for its inhibition against Tissue plasminogen activator at 1 mM when assayed against 0.3 mM S-2288 (Km = 0.673 mM)
50035845	4	ChEBML_155247	Inhibition against human plasmin was determined at 0.5 mM
50035846	1	ChEBML_88659	Binding affinity towards Ionotropic glutamate receptor kainate using [3H]-kainic acid as radioligand; Inactive
50035846	3	ChEBML_90137	Binding affinity towards AMPA receptor using [3H]AMPA as radioligand; Inactive
50035849	4	ChEMBL_58293 (CHEMBL669509)	Affinity of compound towards dopamine-D2 receptor was determined in presence of [3H](-)-sulpiride radioligand
50035849	9	ChEBML_58293	Affinity of compound towards dopamine-D2 receptor was determined in presence of [3H](-)-sulpiride radioligand
50000069	1	ChEMBL_1667678 (CHEMBL4017566)	Inhibition of fatty acid synthase in rat cytosolic hepatic extracts using acetyl CoA and malonyl CoA as substrate preincubated for 30 mins followed by acetyl CoA addition and subsequent incubation for 3 mins prior to malonyl CoA addition measured after 10 mins in presence of NADPH by spectrophotometric method
50000069	2	ChEMBL_1667693 (CHEMBL4017581)	Inhibition of rat wild-type CPT1A expressed in yeast mitochondrial extracts using L-[methyl-3H]carnitine and palmitoyl-CoA as substrates preincubated for 1 min followed by substrate addition measured for 5 mins by radiometric method
50000070	1	ChEMBL_1667710 (CHEMBL4017598)	Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000070	2	ChEMBL_1667711 (CHEMBL4017599)	Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000070	3	ChEMBL_1667712 (CHEMBL4017600)	Inhibition of HDAC3 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000070	4	ChEMBL_1667713 (CHEMBL4017601)	Inhibition of HDAC6 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000073	1	ChEMBL_1667720 (CHEMBL4017608)	Inhibition of human LSD1 (172 to 833 residues) assessed as reduction in H2O2 production using H3K4me2 (1 to 20 residues) peptide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by peroxidase coupled enzyme assay
50000073	2	ChEMBL_1667719 (CHEMBL4017607)	Inhibition of human LSD1 assessed as reduction in H2O2 production using pLys4Met H3 peptide as substrate by peroxidase coupled UV-visible spectrophotometric method
50000074	1	ChEMBL_1667749 (CHEMBL4017637)	Inhibition of human topoisomerase 2alpha-mediated kinetoplast DNA decatenation after 60 mins by ethidium bromide staining based agarose gel electrophoresis
50000075	1	ChEMBL_1667760 (CHEMBL4017648)	Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as decrease in prostaglandin E2-induced increase in intracellular calcium level incubated for 90 mins measured for 60 secs by Fluo 4-AM dye based fluorescence assay
50000076	1	ChEMBL_1667773 (CHEMBL4017661)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000076	2	ChEMBL_1667774 (CHEMBL4017662)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	1	ChEBML_1667777	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	2	ChEBML_1667778	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	3	ChEBML_1667779	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	4	ChEMBL_1667780 (CHEMBL4017668)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	5	ChEMBL_1667779 (CHEMBL4017667)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	6	ChEMBL_1667777 (CHEMBL4017665)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50000077	7	ChEMBL_1667778 (CHEMBL4017666)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50035854	4	ChEBML_144108	Tested against canine renal Na+/K+ ATPase
50035855	1	ChEBML_211651	Inhibitory effect on the polymerization of purified bovine brain tubulin.
50035856	1	ChEBML_50184	Inhibition of binding of [125I]- CCK-33 to rat pancreas
50035856	3	ChEBML_48110	Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from guinea pig gastric glands
50035857	1	ChEBML_210101	Inhibition of Thromboxane A2 synthetase after oral administration of 0.03 mmol/kg
50035857	2	ChEMBL_209952 (CHEMBL820608)	Inhibition of Thromboxane A2 synthase after oral administration of 0.03 mmol/kg
50035858	1	ChEBML_35003	Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes (Atrionatriuretic peptide receptor B)
50035858	2	ChEBML_35004	Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on mouse fibroblasts (NIH 3T3) cells (Atrionatriuretic peptide receptor C).
50000078	1	ChEMBL_1667787 (CHEMBL4017675)	Inhibition of FAK (unknown origin) by enzyme immuno assay
50000079	1	ChEMBL_1667795 (CHEMBL4017683)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs in presence of [33gammaP]ATP by P81 ion exchange chromatographic method
50000079	2	ChEMBL_1667796 (CHEMBL4017684)	Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate measured after 2 hrs in presence of [33gammaP]ATP by P18 ion exchange chromatographic method
50000079	3	ChEMBL_1667819 (CHEMBL4017707)	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescent-polyGT as substrate preincubated for 10 mins followed by substrate measured after 1 hr in presence of 18 uM ATP by LanthaScreen TR-FRET assay
50000079	4	ChEMBL_1667818 (CHEMBL4017706)	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescent-polyGT as substrate preincubated for 10 mins followed by substrate measured after 1 hr in presence of 167 uM ATP by LanthaScreen TR-FRET assay
50000079	5	ChEMBL_1667817 (CHEMBL4017705)	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using fluorescent-polyGT as substrate preincubated for 10 mins followed by substrate measured after 1 hr in presence of 500 uM ATP by LanthaScreen TR-FRET assay
50000080	1	ChEMBL_1667858 (CHEMBL4017746)	Inhibition of human ERG
50035861	1	ChEBML_140154	Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells
50000080	2	ChEMBL_1667859 (CHEMBL4017747)	Inhibition of human ERG expressed in CHOK1 cells by Qpatch clamp method
50000080	3	ChEMBL_1667829 (CHEMBL4017717)	Antagonist activity at full length human androgen receptor expressed in mammalian expression system measured after 22 to 24 hrs by luciferase reporter gene assay
50000080	4	ChEMBL_1667830 (CHEMBL4017718)	Displacement of [3H]-(+)-pentazocine from sigma1 in human MDA-MB-468 cell membranes
50000080	5	ChEMBL_1667831 (CHEMBL4017719)	Displacement of [125I]-IPAG from sigma1 in human MDA-MB-468 cell membranes
50000081	1	ChEMBL_1667871 (CHEMBL4017759)	Inhibition of human Nav1.7 expressed in CHO-K1 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp assay
50000081	2	ChEMBL_1667873 (CHEMBL4017761)	Inhibition of human ERG
50000081	3	ChEMBL_1667890 (CHEMBL4017778)	Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50000081	4	ChEMBL_1667891 (CHEMBL4017779)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50000081	5	ChEMBL_1667892 (CHEMBL4017780)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50000081	6	ChEMBL_1667893 (CHEMBL4017781)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50000081	7	ChEMBL_1667894 (CHEMBL4017782)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50035864	1	ChEBML_154061	Ability to displace [3H]TCP from high affinity PCP N-methyl-D-aspartate glutamate receptor in rat brain homogenates in vitro was determined
50035865	1	ChEBML_39162	In vitro Beta-1 adrenergic receptor affinity in partially purified membrane fractions from canine cardiac tissue using [SH]dihydroalprenolol (4.5 nM)
50000081	8	ChEMBL_1667872 (CHEMBL4017760)	Inhibition of human Nav1.5 expressed in HEK293 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp assay
50035866	4	ChEBML_71835	In vitro inhibitory activity against bovine liver glutamate dehydrogenase (GDH)
50000082	1	ChEMBL_1667903 (CHEMBL4017791)	Inhibition of wild type ALK (unknown origin) using TK as substrate after 30 mins by HTRF assay
50000082	2	ChEMBL_1667905 (CHEMBL4017793)	Inhibition of insulin receptor kinase (unknown origin) using TK as substrate after 30 mins by HTRF assay
50035868	1	ChEBML_213083	Inhibition of trypsin by amidase assay
50035868	2	ChEMBL_213083 (CHEMBL815011)	Inhibition of trypsin by amidase assay
50000083	1	ChEMBL_1667935 (CHEMBL4017823)	Inhibition of 50% inactivated mouse Nav1.7 expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval by PatchXpress electrophysiology assay
50000083	2	ChEMBL_1667955 (CHEMBL4017843)	Antagonist activity at alpha2A-adrenergic receptor (unknown origin)
50000083	3	ChEMBL_1667956 (CHEMBL4017844)	Antagonist activity at human alpha2B-adrenergic receptor
50000083	4	ChEMBL_1667952 (CHEMBL4017840)	Agonist activity at human muscarinic M1 receptor
50000083	5	ChEMBL_1667957 (CHEMBL4017845)	Antagonist activity at 5HT2B (unknown origin)
50000083	6	ChEMBL_1667927 (CHEMBL4017815)	Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval by PatchXpress electrophysiology assay
50000083	7	ChEMBL_1667926 (CHEMBL4017814)	Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells at holding potential of -60 mV incubated for 5 mins measured at 10 secs interval by PatchXpress electrophysiology assay
50000083	8	ChEMBL_1667937 (CHEMBL4017825)	Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate after 30 mins in presence of NADPH by LC-MS/MS analysis
50000083	9	ChEMBL_1667938 (CHEMBL4017826)	Inhibition of CYP2C9 in human liver microsomes using warfarin as substrate after 30 mins in presence of NADPH by LC-MS/MS analysis
50000083	10	ChEMBL_1667939 (CHEMBL4017827)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins in presence of NADPH by LC-MS/MS analysis
50000083	11	ChEMBL_1667925 (CHEMBL4017813)	Activation of PXR (unknown origin)
50000083	12	ChEMBL_1667915 (CHEMBL4017803)	Inhibition of human Nav1.5 expressed in HEK293 cells at -140 mV holding potential measured for 8 secs by patch-clamp method
50000083	13	ChEMBL_1667913 (CHEMBL4017801)	Inhibition of human Nav1.7 expressed in HEK293 cells
50000083	14	ChEMBL_1667914 (CHEMBL4017802)	Inhibition of human Nav1.5 expressed in HEK293 cells
50000083	15	ChEMBL_1667953 (CHEMBL4017841)	Antagonist activity at human muscarinic M1 receptor
50000083	16	ChEMBL_1667954 (CHEMBL4017842)	Antagonist activity at alpha1D-adrenergic receptor (unknown origin)
50000083	17	ChEMBL_1667916 (CHEMBL4017804)	Inhibition of human Nav1.7 expressed in HEK293 cells at -120 mV holding potential measured for 8 sec by patch-clamp method
50000084	1	ChEMBL_1668048 (CHEMBL4017936)	Inhibition of biotin-labelled p53 binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method
50000084	2	ChEMBL_1668047 (CHEMBL4017935)	Inhibition of biotin-labelled L-p53 binding to L-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization assay
50000084	3	ChEMBL_1668053 (CHEMBL4017941)	Inhibition of biotin-labelled D-p53 binding to D-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization assay
50000084	4	ChEMBL_1668050 (CHEMBL4017938)	Inhibition of biotin-labelled P4 peptide binding to MDM2 (25 to 109 residues) (unknown origin) by surface plasmon resonance method
50000086	1	ChEMBL_1668070 (CHEMBL4017958)	Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system using fluorescein-PKC as substrate preincubated for 5 mins followed by substrate addition measured after 60 mins in presence of ATP by Lathascreen TR-FRET assay
50035871	1	ChEBML_159845	Tested for in vitro binding affinity against polyamine oxidase after intraperitoneal administration in the rat liver
50000087	1	ChEMBL_1668102 (CHEMBL4017990)	Inhibition of recombinant human CYP3A4 expressed in insect cells using DBOMF as substrate pretreated for 10 mins followed by substrate addition measured every minute for 15 mins in presence of NADP+ by fluorescence assay
50000087	2	ChEMBL_1668099 (CHEMBL4017987)	Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method
50000087	3	ChEMBL_1668100 (CHEMBL4017988)	Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method
50000087	4	ChEMBL_1668101 (CHEMBL4017989)	Inhibition of recombinant human CYP1A2 expressed in insect cells using EOMCC as substrate pretreated for 10 mins followed by substrate addition measured every minute for 15 mins in presence of NADP+ by fluorescence assay
50035873	1	ChEBML_42758	Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes
50035874	1	ChEMBL_35225 (CHEMBL648947)	In vitro inhibitory activity against Angiotensin I converting enzyme(ACE)
50035874	2	ChEBML_35224	In vitro inhibitory activity against Angiotensin I converting enzyme (ACE)
50000089	1	ChEMBL_1668112 (CHEMBL4018000)	Antagonist activity at estrogen receptor in mouse GT1-7 cells harboring beta-galactosidase reporter gene assessed as reduction in 17beta-estradiol induced response measured after 20 to 24 hrs by luciferase reporter gene assay
50000089	2	ChEMBL_1668111 (CHEMBL4017999)	Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells assessed as reduction in E2 induced response by luciferase reporter gene assay
50000090	1	ChEMBL_1668117 (CHEMBL4018005)	Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus expression system
50000090	2	ChEMBL_1668119 (CHEMBL4018007)	Inhibition of recombinant human N-terminal His-tagged p110alpha/p85alpha expressed in Spodoptera frugiperda insect cells using PIP2 as substrate by HTRF assay
50000090	3	ChEMBL_1668120 (CHEMBL4018008)	Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate by HTRF assay
50000090	4	ChEMBL_1668121 (CHEMBL4018009)	Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by HTRF assay
50000090	5	ChEMBL_1668122 (CHEMBL4018010)	Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF assay
50000091	1	ChEMBL_1668157 (CHEMBL4018045)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in cAMP stimulation measured after 60 mins by TR-FRET assay
50035877	1	ChEBML_60517	Displacement of [3H]- #NAME from binding Dopamine receptor D1 in rat striatum
50035877	2	ChEBML_61429	Displacement of [3H]- -spiperone from Dopamine receptor D2 in rat striatum
50000092	1	ChEMBL_1668162 (CHEMBL4018050)	Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK(Dnp)G-OH as substrate by fluorescence assay
50000092	2	ChEMBL_1668163 (CHEMBL4018051)	Inhibition of recombinant human meprin alpha expressed in S2 insect cells using Abz-YVADAPK(Dnp)G-OH as substrate by fluorescence assay
50000092	3	ChEMBL_1668159 (CHEMBL4018047)	Inhibition of APMA-activated recombinant human MMP2 expressed in CHO cells using Mca-PLGL-(DapDnp)-AR-NH2 as substrate by fluorescence assay
50000092	4	ChEMBL_1668164 (CHEMBL4018052)	Inhibition of APMA-activated recombinant human MMP9 expressed in CHO cells using Mca-PLGL-(DapDnp)-AR-NH2 as substrate by fluorescence assay
50000092	5	ChEMBL_1668166 (CHEMBL4018054)	Inhibition of recombinant human C-terminal His10-tagged ADAM10 expressed in baculovirus infected Sf21 cells using Abz-LANAVRSSSR-(DapDnp)-NH2 as substrate by fluorescence assay
50000092	6	ChEMBL_1668167 (CHEMBL4018055)	Inhibition of recombinant human C-terminal His6-tagged ADAM17 expressed in baculovirus infected Sf21 cells using Abz-LANAVRSSSR-(DapDnp)-NH2 as substrate by fluorescence assay
50000092	7	ChEMBL_1668160 (CHEMBL4018048)	Inhibition of human meprin beta expressed in baculovirus infected BTI-TN-5B1-4 insect cells using N-benzoyl-L-tyrosylp-aminobenzoic acid as substrate
50000092	8	ChEMBL_1668161 (CHEMBL4018049)	Inhibition of recombinant human meprin beta expressed in baculovirus infected Sf9 insect cells using (MCA)-EDEDED-(K-epsilon-dnp) as substrate by fluorescence assay
50035880	1	ChEMBL_31763 (CHEMBL641357)	In vitro inhibitory activity against Aldose reductase isolated from human placenta
50000092	9	ChEMBL_1668165 (CHEMBL4018053)	Inhibition of APMA-activated recombinant human MMP13 expressed in mouse NS0 cells using Mca-PLGL-(DapDnp)-AR-NH2 as substrate by fluorescence assay
50000093	1	ChEMBL_1668228 (CHEMBL4018116)	Inhibition of human ERG by Whole-cell voltage clamp electrophysiology method
50000093	2	ChEMBL_1668231 (CHEMBL4018119)	Inhibition of CYP1A2 in liver microsomes (unknown origin) assessed as formation of acetaminophen from phenacetin in presence of NADPH by LC-MS/MS analysis
50000093	3	ChEMBL_1668232 (CHEMBL4018120)	Inhibition of CYP2C9 in liver microsomes (unknown origin) assessed as formation of 4-hydroxydiclofenac from diclofenac in presence of NADPH by LC-MS/MS analysis
50000093	4	ChEMBL_1668234 (CHEMBL4018122)	Inhibition of CYP2D6 in liver microsomes (unknown origin) assessed as formation of 1-hydroxybufuralol from bufuralol in presence of NADPH by LC-MS/MS analysis
50000093	5	ChEMBL_1668235 (CHEMBL4018123)	Inhibition of CYP3A4 in liver microsomes (unknown origin) assessed as formation of 1-hydroxymidazolam from midazolam in presence of NADPH by LC-MS/MS analysis
50000093	6	ChEMBL_1668200 (CHEMBL4018088)	Inhibition of human coagulation factor 9a using SPECTROFLUOR F9a as substrate after 60 mins by fluorescence assay
50000093	7	ChEMBL_1668198 (CHEMBL4018086)	Inhibition of human coagulation factor 10a
50035884	1	ChEBML_3925	In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1) cells
50000093	8	ChEMBL_1668206 (CHEMBL4018094)	Inhibition of rat coagulation factor 9a
50000093	9	ChEMBL_1668233 (CHEMBL4018121)	Inhibition of CYP2C19 in liver microsomes (unknown origin) assessed as formation of 4-hydroxymephenytoin from S-mephenytoin in presence of NADPH by LC-MS/MS analysis
50000094	1	ChEMBL_1668289 (CHEMBL4018177)	Inhibition of full length wild-type LRRK2 (unknown origin) using biotinylated ezrin/radaxin/meosin peptide as substrate measured after 1 hr
50000096	1	ChEMBL_1668291 (CHEMBL4018179)	Antagonist activity at human FKBP12 measured after 30 mins by fluorescein labelled SLF tracer based fluorescence polarization assay
50000096	2	ChEMBL_1668294 (CHEMBL4018182)	Antagonist activity at recombinant human N-terminal His6-tagged FKBP12 expressed in Escherichia coli assessed as inhibition of FK506 mediated FKBP12 binding to calcineurin using serine/threonine phosphatase as substrate pretreated for 1 hr followed by substrate addition measured after 1 hr by biomol green dye based spectrophotometric method
50000097	1	ChEMBL_1668370 (CHEMBL4018258)	Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay
50035886	1	ChEBML_209960	The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubility
50035886	2	ChEBML_54258	Tested for 50% inhibition of WI-L2 Dihydrofolate reductase
50000097	2	ChEMBL_1668372 (CHEMBL4018260)	Antagonist activity at rat M4 receptor by calcium mobilization assay
50000097	3	ChEMBL_1668374 (CHEMBL4018262)	Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay
50000097	4	ChEMBL_1668375 (CHEMBL4018263)	Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay
50000097	5	ChEMBL_1668376 (CHEMBL4018264)	Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay
50000097	6	ChEMBL_1668383 (CHEMBL4018271)	Displacement of [3H]-NMS from recombinant human M4 receptor expressed in CHO cell membranes
50000097	7	ChEMBL_1668366 (CHEMBL4018254)	Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay
50000098	1	ChEBML_1668391	Inhibition of recombinant human BACE1 (Ala8P to Ala326 residues) expressed in Escherichia coli BL21(DE3) using Arg-Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys (Dabcyl)-Arg as substrate by fluorescence assay
50000098	5	ChEMBL_1668391 (CHEMBL4018279)	Inhibition of recombinant human BACE1 (Ala8P to Ala326 residues) expressed in Escherichia coli BL21(DE3) using Arg-Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys (Dabcyl)-Arg as substrate by fluorescence assay
50000098	2	ChEBML_1668392	Inhibition of BACE2 (unknown origin)
50000098	4	ChEBML_1668394	Inhibition of Cathepsin D (unknown origin)
50000098	6	ChEMBL_1668392 (CHEMBL4018280)	Inhibition of BACE2 (unknown origin)
50000100	1	ChEMBL_1668424 (CHEMBL4018312)	Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using tyr 04 as substrate measured within 60 mins by Z-LYTE assay
50000100	2	ChEMBL_1668422 (CHEMBL4018310)	Inhibition of recombinant human N-terminal His-tagged FGFR4 cytoplasmic domain (781 to 133 residues) expressed in baculovirus expression system using tyr 04 peptide as substrate measured within 90 mins by Z-LYTE assay
50000100	3	ChEMBL_1668445 (CHEMBL4018333)	Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	4	ChEMBL_1668447 (CHEMBL4018335)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	5	ChEMBL_1668448 (CHEMBL4018336)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	6	ChEMBL_1668450 (CHEMBL4018338)	Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	7	ChEMBL_1668451 (CHEMBL4018339)	Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	8	ChEMBL_1668429 (CHEMBL4018317)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS method
50000100	9	ChEMBL_1668430 (CHEMBL4018318)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS method
50000100	10	ChEMBL_1668431 (CHEMBL4018319)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS method
50000100	11	ChEMBL_1668432 (CHEMBL4018320)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS method
50000100	12	ChEMBL_1668433 (CHEMBL4018321)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS method
50000100	13	ChEMBL_1668446 (CHEMBL4018334)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50000100	14	ChEMBL_1668449 (CHEMBL4018337)	Inhibition of human ITK using myelin basic protein as substrate measured after 120 mins in presence of [gamma33P]ATP by P81 ion exchange chromatographic method
50035890	1	ChEBML_58969	Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1
50035890	2	ChEBML_58990	Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1
50035890	3	ChEBML_58516	Binding affinity against Dopamine receptor D1 in rat radioligand
50035890	4	ChEMBL_58970 (CHEMBL668636)	Binding affinity to displace [3H]-SCH- 23390 against Dopamine receptor D1
50035890	5	ChEMBL_58967 (CHEMBL668633)	Binding affinity against Dopamine receptor D1 in rat radioligand
50035890	6	ChEBML_31727	Effective concentration required to stimulate Adenylate cyclase
50000102	1	ChEMBL_1668462 (CHEMBL4018350)	Inhibition of SMAC derived peptide abuRPF-K(5-Fam)-NH2 interaction with recombinant human C-terminal 6His-tagged cIAP1 BIR3 domain (245 to 357 residues) expressed in Escherichia coli BL21(DE3) incubated for 15 mins measured after 3 hrs by fluorescence polarization assay
50000104	1	ChEMBL_1668473 (CHEMBL4018361)	Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
50000104	2	ChEMBL_1668474 (CHEMBL4018362)	Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
50000104	3	ChEMBL_1668475 (CHEMBL4018363)	Agonist activity at human V1b receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay
50035891	14	ChEBML_29490	Evaluated for the binding affinity towards the Adenosine A1 receptor in corpora striata of rats using [3H]CHA as radioligand.
50000104	4	ChEMBL_1668479 (CHEMBL4018367)	Agonist activity at C-terminal GFP-tagged OTR (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase reporter gene assay
50000104	5	ChEMBL_1668480 (CHEMBL4018368)	Agonist activity at C-terminal GFP-tagged V1a receptor (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase reporter gene assay
50035894	1	ChEMBL_58703 (CHEMBL672048)	Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes
50035894	2	ChEBML_58703	Compound was evaluated for the inhibition of [3H]spiperone binding to dopamine receptor D2 of rat striatal membranes
50035894	3	ChEBML_58183	Compound was evaluated for the inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 of rat striatal membranes
50000106	1	ChEMBL_1668486 (CHEMBL4018374)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with substrate for 15 mins followed by protein addition measured after 5 mins by Ellaman's method
50000106	2	ChEMBL_1668488 (CHEMBL4018376)	Inhibition of human MAO-B using p-tyramine as substrate by amplex red-based fluorescence assay
50000106	3	ChEMBL_1668487 (CHEMBL4018375)	Inhibition of recombinant human BACE-1 using rhodamine labelled EVNLDAEFK as substrate after 90 mins by FRET assay
50000107	1	ChEMBL_1668504 (CHEMBL4018392)	Inhibition of ELAV1 RRM1/RRM2 domains (unknown origin) interaction with ARE sequence of Mushashi1 transcript after 2 hrs by AlphaLISA method
50000107	2	ChEMBL_1668503 (CHEMBL4018391)	Inhibition of ELAV1 (unknown origin)-ARE sequence of Mushashi1 transcript complex formation after 2 hrs by fluorescence polarization assay
50000107	3	ChEMBL_1668502 (CHEMBL4018390)	Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 90 mins by AlphaScreen assay
50000107	4	ChEMBL_1668501 (CHEMBL4018389)	Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 3 hrs by REMSA method
50000107	5	ChEMBL_1668500 (CHEMBL4018388)	Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 20 mins by liquid scintillation counting method
50000107	6	ChEMBL_1668505 (CHEMBL4018393)	Inhibition of ELAV1 (unknown origin)-ARE sequence of c-fos complex formation by fluorescence polarization assay
50000107	7	ChEMBL_1668499 (CHEMBL4018387)	Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence nucleic acid detection method
50000108	1	ChEMBL_1668607 (CHEMBL4018495)	Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method
50000108	2	ChEMBL_1668531 (CHEMBL4018419)	Agonist activity at human muscarinic acetylcholine receptor M3 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 mins by Fluo-8-AM dye based FLIPR assay
50000108	3	ChEMBL_1668532 (CHEMBL4018420)	Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as increase in cAMP accumulation after 2 hrs by cAMP-Glo assay
50000108	4	ChEMBL_1668533 (CHEMBL4018421)	Agonist activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 mins by Fluo-8-AM dye based FLIPR assay
50000108	5	ChEMBL_1668507 (CHEMBL4018395)	Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization preincubated for 10 mins followed by acetylcholine addition by Fluo-8-AM dye based FLIPR assay
50035896	3	ChEMBL_145688 (CHEMBL753314)	Opioid receptor kappa 1 apparent binding constant from rat brain membranes using [3H]DADLE binding assay
50000108	6	ChEMBL_1668534 (CHEMBL4018422)	Agonist activity at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in calcium mobilization incubated for 10 mins by Fluo-8-AM dye based FLIPR assay
50000108	7	ChEMBL_1668530 (CHEMBL4018418)	Agonist activity at human muscarinic acetylcholine receptor M2 expressed in CHO cells assessed as increase in cAMP accumulation after 2 hrs by cAMP-Glo assay
50000108	8	ChEMBL_1668535 (CHEMBL4018423)	Inhibition of PDE11A4 (unknown origin)
50035897	1	ChEBML_195055	Compound was evaluated for the 50% inhibitory concentration on human immunodeficiency virus associated reverse transcriptase
50000110	1	ChEMBL_1668616 (CHEMBL4018504)	Time dependent inhibition of CYP2C8 in human liver microsomes after 5 mins by LC-MS/MS analysis
50000110	2	ChEMBL_1668641 (CHEMBL4018529)	Reversible inhibition of CYP2C8 in human liver microsomes after 5 mins by LC-MS/MS analysis
50000110	3	ChEMBL_1668633 (CHEMBL4018521)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 2 to 40 mins followed by NADPH-generating system addition measured after 2 mins
50000110	4	ChEMBL_1668632 (CHEMBL4018520)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 mins
50000110	5	ChEMBL_1668631 (CHEMBL4018519)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 30 mins in presence of NADPH-generating system followed by substrate addition measured after 5 mins
50000110	6	ChEMBL_1668630 (CHEMBL4018518)	Inhibition of CYP2C8 in human liver microsomes after 15 mins
50000110	7	ChEMBL_1668638 (CHEMBL4018526)	Inhibition of CYP2C8 in human liver microsomes preincubated for 30 mins followed by substrate addition measured after 2 mins
50000110	8	ChEMBL_1668634 (CHEMBL4018522)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 2 to 40 mins measured after 2 mins
50000110	9	ChEMBL_1668642 (CHEMBL4018530)	Inactivation of CYP1A2 in human liver microsomes after 5 mins by LC-MS/MS analysis
50000111	1	ChEMBL_1668650 (CHEMBL4018538)	Binding affinity to NM23-H2 (unknown origin) by SPR analysis
50000111	2	ChEMBL_1668651 (CHEMBL4018539)	Binding affinity to N-terminal NT-647-NHS labeled NM23-H2 (unknown origin) after 30 mins by MST analysis
50000115	1	ChEMBL_1668737 (CHEMBL4018625)	Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50035905	1	ChEBML_58652	Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390
50035905	2	ChEBML_62424	Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone
50035905	4	ChEMBL_58652 (CHEMBL670279)	Compound was evaluated for its ability to inhibit Dopamine receptor D1 in rat striatum using [3H]SCH-23390
50035905	5	ChEMBL_62424 (CHEMBL674828)	Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat striatum using [3H]-spiperone
50000115	2	ChEMBL_1668739 (CHEMBL4018627)	Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50035906	1	ChEBML_58187	Compound was tested for its inhibitory effect on the binding profile in Dopamine receptor D1 using [3H]flupenthixol in rat brain.
50000115	3	ChEMBL_1668766 (CHEMBL4018654)	Inhibition of CDK4 (unknown origin) by FRET assay
50035906	3	ChEBML_58715	Compound was tested for its inhibitory effect on the binding profile in Dopamine receptor D2 using [3H]haloperidol in rat brain.
50000115	4	ChEMBL_1668767 (CHEMBL4018655)	Inhibition of CDK6 (unknown origin) by FRET assay
50000115	5	ChEMBL_1668769 (CHEMBL4018657)	Inhibition of FGFR1 in human NCI-H1581 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	6	ChEMBL_1668738 (CHEMBL4018626)	Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	7	ChEMBL_1668740 (CHEMBL4018628)	Inhibition of recombinant human FGFR4 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	8	ChEMBL_1668741 (CHEMBL4018629)	Inhibition of recombinant KDR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	9	ChEMBL_1668742 (CHEMBL4018630)	Inhibition of recombinant Ret (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	10	ChEMBL_1668743 (CHEMBL4018631)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	11	ChEMBL_1668751 (CHEMBL4018639)	Inhibition of recombinant IGF1R (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	12	ChEMBL_1668752 (CHEMBL4018640)	Inhibition of recombinant PDGFR-alpha (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	13	ChEMBL_1668753 (CHEMBL4018641)	Inhibition of recombinant PDGFR-beta (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	14	ChEMBL_1668754 (CHEMBL4018642)	Inhibition of recombinant Mer (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	15	ChEMBL_1668755 (CHEMBL4018643)	Inhibition of recombinant ErbB2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50035911	1	ChEBML_62576	Binding affinity for dopamine receptor D2
50035911	2	ChEBML_58660	Binding affinity for dopamine receptor D1
50035911	4	ChEBML_218244	Compound was tested in vitro for binding affinity for beta receptor
50035911	5	ChEBML_1847	Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1C receptor
50035911	6	ChEBML_31418	In vitro inhibition of dopamine stimulated adenylate cyclase
50035911	7	ChEBML_1171	Compound was tested in vitro for binding affinity for 5-hydroxytryptamine 1A receptor
50035911	8	ChEBML_62967	In vitro binding affinity for dopamine uptake site
50035912	3	ChEMBL_80663 (CHEMBL691948)	In vitro inhibition of solubilized HMG-CoA reductase in rat liver.
50000115	16	ChEMBL_1668797 (CHEMBL4018685)	Inhibition of FGFR1OP2 fused FGFR1 in human KG1 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	17	ChEMBL_1668798 (CHEMBL4018686)	Inhibition of FGFR2 in human KATO III cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	18	ChEMBL_1668800 (CHEMBL4018688)	Inhibition of FGFR3 in human RT112 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	19	ChEMBL_1668805 (CHEMBL4018693)	Inhibition of CCDC6-fused RET (unknown origin) expressed in mouse Ba/F3 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	20	ChEMBL_1668806 (CHEMBL4018694)	Inhibition of TEL-fused KDR (unknown origin) expressed in mouse Ba/F3 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	21	ChEMBL_1668807 (CHEMBL4018695)	Inhibition of FGFR2 in human SNU16 cells assessed as inhibition of cell proliferation after 72 hrs by cell counting kit-8 assay
50000115	22	ChEMBL_1668756 (CHEMBL4018644)	Inhibition of recombinant ALK (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	23	ChEMBL_1668757 (CHEMBL4018645)	Inhibition of recombinant LTK (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	24	ChEMBL_1668758 (CHEMBL4018646)	Inhibition of recombinant ROS1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	25	ChEMBL_1668759 (CHEMBL4018647)	Inhibition of recombinant EPH-A2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	26	ChEMBL_1668760 (CHEMBL4018648)	Inhibition of recombinant c-Kit (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	27	ChEMBL_1668761 (CHEMBL4018649)	Inhibition of Erk2 (unknown origin) by FRET assay
50000115	28	ChEMBL_1668762 (CHEMBL4018650)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	29	ChEMBL_1668763 (CHEMBL4018651)	Inhibition of recombinant AXL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	30	ChEMBL_1668764 (CHEMBL4018652)	Inhibition of recombinant Tyro3 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	31	ChEMBL_1668765 (CHEMBL4018653)	Inhibition of CDK1 (unknown origin) by FRET assay
50000115	32	ChEMBL_1668746 (CHEMBL4018634)	Inhibition of recombinant ABL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	33	ChEMBL_1668747 (CHEMBL4018635)	Inhibition of recombinant ErbB4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	34	ChEMBL_1668748 (CHEMBL4018636)	Inhibition of recombinant c-Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	35	ChEMBL_1668749 (CHEMBL4018637)	Inhibition of recombinant VEGFR-1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	36	ChEMBL_1668750 (CHEMBL4018638)	Inhibition of recombinant IR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50000115	37	ChEMBL_1668745 (CHEMBL4018633)	Inhibition of recombinant DDR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50035917	6	ChEBML_138979	The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.
50035917	7	ChEBML_140173	Compound was tested for binding activity against rat muscarinic acetylcholine receptor M2 using [3H]QNB as the radioligand
50035918	3	ChEMBL_92452 (CHEMBL702216)	In vitro inhibitory activity against L-Hexonate Dehydrogenase from rat kidney
50000116	1	ChEMBL_1668933 (CHEMBL4018821)	Inhibition of recombinant human glutamate carboxypeptidase 2 (44 to 750 residues) overexpressed in Drosophila Schneider S2 cells using [3H]-NAAG/NAAG as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by liquid scintillation counting method
50000117	1	ChEMBL_1668942 (CHEMBL4018830)	Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCerulean and mCitrine fused Epac protein assessed as increase in cAMP level up to 30 mins by fluorescence assay
50035919	5	ChEMBL_60558 (CHEMBL670746)	Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey
50000117	2	ChEMBL_1668957 (CHEMBL4018845)	Binding affinity to human serum albumin
50000118	1	ChEMBL_1668973 (CHEMBL4018861)	Inhibition of human recombinant N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate after 45 mins in presence of gamma-P33-ATP
50000118	2	ChEMBL_1668974 (CHEMBL4018862)	Inhibition of human recombinant His6-tagged PLK1 (1 to 603 residues) using casein as substrate preincubated for 60 mins followed by polo box peptide addition measured after 15 mins by Z'-Lyte assay
50000118	3	ChEMBL_1668976 (CHEMBL4018864)	Inhibition of PLK1 in human MDA-MB-23 cells assessed as decrease in TCTP phosphorylation after 6 hrs by Western blot method
50000118	4	ChEMBL_1668978 (CHEMBL4018866)	Inhibition of PLK1 in HEK293T cells assessed as decrease in TCTP phosphorylation after 6 hrs by Western blot method
50000118	5	ChEMBL_1668979 (CHEMBL4018867)	Binding affinity to recombinant human N-terminal His6-tagged Wee1 kinase domain (291 to 575 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50000118	6	ChEMBL_1668980 (CHEMBL4018868)	Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50000118	7	ChEMBL_1668981 (CHEMBL4018869)	Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetry
50000118	8	ChEMBL_1668969 (CHEMBL4018857)	Binding affinity to human JAK2 JH1 domain assessed as dissociation constant by quantitative real-time PCR method
50000118	9	ChEMBL_1668963 (CHEMBL4018851)	Binding affinity to human PLK1 assessed as dissociation constant by quantitative real-time PCR method
50000118	10	ChEMBL_1668964 (CHEMBL4018852)	Binding affinity to recombinant human full-length N-terminal His8-tagged Wee2 (1 to 567 residues) expressed in human Expi293F cells assessed as dessociation constant by quantitative real-time PCR method
50000118	11	ChEMBL_1668966 (CHEMBL4018854)	Binding affinity to human JAK3 JH1 domain assessed as dissociation constant by quantitative real-time PCR method
50000118	12	ChEMBL_1668962 (CHEMBL4018850)	Binding affinity to recombinant human full-length N-terminal His8-tagged Wee1 (1 to 646 residues) expressed in human Expi293F cells assessed as dessociation constant by quantitative real-time PCR method
50000119	1	ChEMBL_1668991 (CHEMBL4018879)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of pancreatic polypeptide induced-calcium flux by measuring pancreatic polypeptide EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of pancreatic polypeptide after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 0.1 nM)
50000119	2	ChEMBL_1669002 (CHEMBL4018890)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of peptide YY induced-calcium flux by measuring peptide YY EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of peptide YY after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 2.6 nM)
50000119	3	ChEMBL_1669003 (CHEMBL4018891)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of pancreatic polypeptide-induced arrestin 3 recruitment by measuring pancreatic polypeptide EC50 at 30 uM after 30 mins by BRET assay (Rvb = 5.6 nM)
50000119	4	ChEMBL_1669004 (CHEMBL4018892)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of neuropeptide Y-induced arrestin 3 recruitment by measuring neuropeptide Y EC50 at 30 uM after 30 mins by BRET assay (Rvb = 1380 nM)
50000119	5	ChEMBL_1669006 (CHEMBL4018894)	Effect on pancreatic polypeptide-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell membranes assessed as pancreatic polypeptide pKi at 30 uM after 5 hrs by by scintillation counting (Rvb = 10.2 +/- 0.1 No_unit)
50000119	6	ChEMBL_1669007 (CHEMBL4018895)	Effect on neuropeptide Y-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell membranes assessed as neuropeptide Y pKi at 30 uM after 5 hrs by by scintillation counting (Rvb = 7.9 +/- 0.2 No_unit)
50000119	7	ChEMBL_1669008 (CHEMBL4018896)	Effect on peptide YY-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell membranes assessed as peptide YY pKi at 30 uM after 5 hrs by by scintillation counting (Rvb = 8 +/- 0.2 No_unit)
50000119	8	ChEMBL_1669017 (CHEMBL4018905)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of pancreatic polypeptide induced-calcium flux by measuring pancreatic polypeptide pEC50 at 30 uM treated at 20 secs post baseline detection followed by addition of pancreatic polypeptide after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 10 +/- 0.04 No_unit)
50000119	9	ChEMBL_1669018 (CHEMBL4018906)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of neuropeptide Y induced-calcium flux by measuring neuropeptide Y pEC50 at 30 uM treated at 20 secs post baseline detection followed by addition of neuropeptide Y after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 8.3 +/- 0.04 No_unit)
50000119	10	ChEMBL_1669021 (CHEMBL4018909)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of pancreatic polypeptide-induced arrestin 3 recruitment by measuring pancreatic polypeptide pEC50 at 30 uM after 30 mins by BRET assay (Rvb = 8.3 +/- 0.12 No_unit)
50000119	11	ChEMBL_1669023 (CHEMBL4018911)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of peptide YY-induced arrestin 3 recruitment by measuring peptide YY pEC50 at 30 uM after 30 mins by BRET assay (Rvb = 5.8 +/- 0.20 No_unit)
50000119	12	ChEMBL_1668992 (CHEMBL4018880)	Positive allosteric modulation of human C-terminal eYFP-fused human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of pancreatic polypeptide-mediated Ca2+ flux treated at 20 secs post baseline detection followed by addition of pancreatic polypeptide after 140 secs by Fluo2-AM fluorescent dye based-assay
50000119	13	ChEMBL_1668993 (CHEMBL4018881)	Positive allosteric modulation of human C-terminal eYFP-fused human NY1 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of neuropeptide Y-mediated Ca2+ flux by measuring pancreatic polypeptide EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of neuropeptide Y after 140 secs by Fluo2-AM fluorescent dye-based assay (Rvb = 10.3 +/- 0.1 No_unit)
50000119	14	ChEMBL_1668994 (CHEMBL4018882)	Positive allosteric modulation of human C-terminal eYFP-fused human NY2 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of neuropeptide Y-mediated Ca2+ flux by measuring pancreatic polypeptide EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of neuropeptide Y after 140 secs by Fluo2-AM fluorescent dye-based assay (Rvb = 10 +/- 0.1 No_unit)
50000119	15	ChEMBL_1668995 (CHEMBL4018883)	Positive allosteric modulation of human C-terminal eYFP-fused human NY5 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of neuropeptide Y-mediated Ca2+ flux by measuring pancreatic polypeptide EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of neuropeptide Y after 140 secs by Fluo2-AM fluorescent dye-based assay (Rvb = 8.5 +/- 0.1 No_unit)
50000119	16	ChEMBL_1669001 (CHEMBL4018889)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of neuropeptide Y induced-calcium flux by measuring neuropeptide Y EC50 at 30 uM treated at 20 secs post baseline detection followed by addition of neuropeptide Y after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 5.2 nM)
50000119	17	ChEMBL_1669005 (CHEMBL4018893)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of peptide YY-induced arrestin 3 recruitment by measuring peptide YY EC50 at 30 uM after 30 mins by BRET assay (Rvb = 1600 nM)
50000119	18	ChEMBL_1669019 (CHEMBL4018907)	Positive allosteric modulation of human NY4 receptor expressed in African green monkey COS7 cells co-expressing delta6Galphaqi4-myr assessed as potentiation of peptide YY induced-calcium flux by measuring peptide YY pEC50 at 30 uM treated at 20 secs post baseline detection followed by addition of peptide YY after 140 secs by Fluo2-AM fluorescent dye based-assay (Rvb = 8.6 +/- 0.08 No_unit)
50000119	19	ChEMBL_1669022 (CHEMBL4018910)	Positive allosteric modulation of human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cells assessed as potentiation of neuropeptide Y-induced arrestin 3 recruitment by measuring neuropeptide Y pEC50 at 30 uM after 30 mins by BRET assay (Rvb = 5.9 +/- 0.15 No_unit)
50000120	1	ChEBML_1669043	Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method
50000120	2	ChEBML_1669058	Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by TR-FRET assay
50000120	3	ChEBML_1669073	Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARalpha LBD by TR-FRET assay
50000120	4	ChEBML_1669045	Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by gamma counting method
50000120	5	ChEBML_1669044	Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting method
50000120	6	ChEBML_1669056	Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assay
50000120	7	ChEMBL_1669043 (CHEMBL4018931)	Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method
50000120	8	ChEMBL_1669044 (CHEMBL4018932)	Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting method
50000121	1	ChEMBL_1669078 (CHEMBL4018966)	Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry
50035921	1	ChEBML_195762	Compound was tested in vitro for inhibitory activity against human renin
50035921	2	ChEBML_153980	In vitro inhibitory activity against porcine Pepsin.
50035921	3	ChEBML_216563	In vitro inhibitory activity against bovine Cathepsin D
50035921	4	ChEMBL_195762 (CHEMBL872997)	Compound was tested in vitro for inhibitory activity against human renin
50035921	5	ChEMBL_225764 (CHEMBL848088)	The compound was tested in vitro for inhibitory activity against human renin
50035923	5	ChEMBL_60357 (CHEMBL672092)	The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1
50035923	6	ChEMBL_58217 (CHEMBL872494)	The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.
50035923	7	ChEMBL_58211 (CHEMBL669941)	The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state
50035924	3	ChEBML_30001	Inhibition of [3H]- NECA binding to adenosine receptor A2A
50035924	6	ChEBML_29308	Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor
50035925	1	ChEBML_159125	Concentration required to inhibit HIV-1 protease activity calculated from plots of % inhibition vs inhibitor concentration
50000122	1	ChEMBL_1669141 (CHEMBL4019029)	Inhibition of Pseudomonas aeruginosa VIM2 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by HTS assay
50000122	2	ChEMBL_1669140 (CHEMBL4019028)	Inhibition of Serratia marcescens IMP1 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by HTS assay
50000123	1	ChEMBL_1669208 (CHEMBL4019096)	Inhibition of FITC3-labeled PU-H71 binding to recombinant HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay
50000123	2	ChEMBL_1669207 (CHEMBL4019095)	Inhibition of FITC3-labeled PU-H71 binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 561 residues) expressed in Escherichia coli BL21(DE3) after 24 hrs by fluorescence polarization assay
50035928	1	ChEMBL_35991 (CHEMBL644700)	Compound was tested for its inhibitory potency against angiotensin I converting enzyme.
50035928	2	ChEMBL_36005 (CHEMBL644713)	Compound was tested for its inhibitory potency against angiotensin I converting enzyme.
50035928	3	ChEMBL_35989 (CHEMBL644698)	Compound was tested for its inhibitory potency against Angiotensin I converting enzyme
50035928	4	ChEBML_35989	Compound was tested for its inhibitory potency against Angiotensin I converting enzyme
50000125	1	ChEMBL_1669256 (CHEMBL4019144)	Negative allosteric modulation of rat mGlu5 expressed in HEK293 cells assessed as inhibition of glutamate-induced intracellular calcium accumulation preincubated for 15 mins followed by glutamate addition by Fluo-8-dye-based FLIPR assay
50000125	2	ChEMBL_1669257 (CHEMBL4019145)	Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting
50035931	2	ChEMBL_196879 (CHEMBL807531)	Activity determined in rat liver S-adenosyl-L-homocysteine hydrolase and expressed as Kinactivator values; NA= not applicable
50035931	1	ChEBML_196865	Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values.
50035933	1	ChEBML_49348	In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue
50035934	3	ChEMBL_51019 (CHEMBL664411)	Aromatase inhibitor potency as iron-binding-related type II difference spectrum
50035934	5	ChEMBL_50894 (CHEMBL664897)	Competitive inhibition of human placental Cytochrome P450 19A1
50035935	1	ChEMBL_31772 (CHEMBL643099)	In vitro inhibition of human placental aldose reductase.
50035935	2	ChEMBL_32093 (CHEMBL644296)	Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate
50035935	3	ChEMBL_32097 (CHEMBL884015)	Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates
50035935	4	ChEMBL_31308 (CHEMBL646326)	Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values
50035935	5	ChEMBL_31307 (CHEMBL646325)	Inhibitory activity measured against pig kidney aldehyde reductase using 3-pyridinecarboxaldehyde as substrate
50035935	6	ChEMBL_32101 (CHEMBL644302)	Percent inhibition of sorbitol accumulation in rat lens was measured
50035935	7	ChEMBL_31312 (CHEMBL644865)	Inhibitory activity was measured against renal inner medulla aldehyde reductase
50035935	8	ChEMBL_31313 (CHEMBL644866)	Inhibitory activity was measured against renal outer medulla aldehyde reductase
50035935	9	ChEMBL_31310 (CHEMBL644863)	Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with DL-glyceraldehyde as substrates
50035935	10	ChEMBL_31796 (CHEMBL643202)	Inhibitory activity was measured against pig kidney aldehyde reductase in the presence of 1 uM compound with 3-pyridine carboxaldehyde as substrates
50035935	11	ChEMBL_31922 (CHEMBL642965)	Inhibitory activity was measured against rat lens aldose reductase in the presence of 1 uM compound with D-glucose as substrates
50035935	12	ChEMBL_31311 (CHEMBL644864)	Inhibitory activity was measured against renal cortex aldehyde reductase
50035935	13	ChEMBL_31314 (CHEMBL644867)	Inhibitory activity was measured against whole kidney aldehyde reductase
50000125	3	ChEMBL_1669276 (CHEMBL4019164)	Agonist activity at human mu-type opioid receptor expressed in CHO-K1 cells assessed as cAMP accumulation by HTRF assay
50000126	1	ChEMBL_1669315 (CHEMBL4019203)	Binding affinity to human carbonic anhydrase 2 at +10 charge state for protein to compound complex after 10 mins by nanoESI-MS method
50000126	2	ChEMBL_1669310 (CHEMBL4019198)	Binding affinity to human carbonic anhydrase 2 by surface plasmon resonance spectrometry
50000126	3	ChEMBL_1669314 (CHEMBL4019202)	Binding affinity to human carbonic anhydrase 2 at +9, +10 and +11 charge states for protein to compound complex after 10 mins by nanoESI-MS method
50000127	1	ChEMBL_1669325 (CHEMBL4019213)	Inhibition of AEP (unknown origin) using Cbz-Ala-Ala-Asn-AMC as substrate after 15 mins by fluorescence assay
50000127	2	ChEMBL_1669326 (CHEMBL4019214)	Inhibition of cathepsin-S (unknown origin)
50000127	3	ChEMBL_1669327 (CHEMBL4019215)	Inhibition of caspase-3 (unknown origin)
50000127	4	ChEMBL_1669328 (CHEMBL4019216)	Inhibition of caspase-8 (unknown origin)
50000127	5	ChEMBL_1669318 (CHEMBL4019206)	Competitive inhibition of AEP (unknown origin) using varying levels of Z-AAN-AMC substrate after 10 mins by Lineweaver-Burk plot analysis
50000130	1	ChEMBL_1669361 (CHEMBL4019249)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50035937	1	ChEMBL_58709 (CHEMBL669055)	Compound was measured for affinity at dopamine receptor D2 labeled with [3H]spiroperidol radioligand in striatum tissue
50035937	2	ChEBML_847	Compound was measured for affinity at 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radioligand in hippocampus tissue
50035937	3	ChEBML_1784	compound was measured for affinity against 5-hydroxytryptamine 1B receptor labelled with [3H]5-HT radioligand in striatum tissue
50035937	5	ChEBML_58347	compound was measured as affinity for dopamine receptor D1 labeled with [3H]-SCH- 23390 radioligand in striatum tissue
50035937	6	ChEMBL_847 (CHEMBL615903)	Compound was measured for affinity at 5-hydroxytryptamine 1A receptor labeled with [3H]8-OH-DPAT radioligand in hippocampus tissue
50000130	2	ChEMBL_1669357 (CHEMBL4019245)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50000130	3	ChEMBL_1669358 (CHEMBL4019246)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50035937	8	ChEBML_58708	Compound was measured for affinity at Dopamine receptor D2 labeled with [3H]spiroperidol radioligand in striatum tissue
50035937	9	ChEBML_201890	compound was measured as affinity for sigma receptor labeled with [3H]-SKF- 10,0477 radioligand in slide-mounted slices
50035938	1	ChEBML_201295	Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand
50035938	2	ChEBML_201270	Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand
50035939	1	ChEBML_158157	Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens
50000130	4	ChEMBL_1669356 (CHEMBL4019244)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50035941	3	ChEBML_28960	Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane
50035941	4	ChEBML_29169	Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane
50035943	2	ChEBML_153854	Inhibitory concentration against Pepsin
50000131	1	ChEMBL_1669392 (CHEMBL4019280)	Binding affinity to human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system by Kinomescan assay
50035943	3	ChEBML_45331	Inhibitory concentration against cathepsin E
50035943	4	ChEBML_45154	Inhibitory concentration against Cathepsin D
50000131	2	ChEMBL_1669393 (CHEMBL4019281)	Binding affinity to human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by Kinomescan assay
50035943	5	ChEMBL_45154 (CHEMBL657348)	Inhibitory concentration against Cathepsin D
50035943	7	ChEBML_71510	Inhibitory concentration against Gastricsin
50000131	3	ChEMBL_1669394 (CHEMBL4019282)	Binding affinity to human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan assay
50000131	4	ChEMBL_1669395 (CHEMBL4019283)	Binding affinity to human mTOR (L1382 to W2549 residues) expressed in mammalian expression system at 10 uM
50000131	5	ChEMBL_1669396 (CHEMBL4019284)	Binding affinity to human PI3KC2beta (M1 to L1634 residues) expressed in mammalian expression system by Kinomescan assay
50000131	6	ChEMBL_1669397 (CHEMBL4019285)	Binding affinity to human VPS34 (S282 to H879 residues) expressed in mammalian expression system by Kinomescan assay
50000131	7	ChEMBL_1669399 (CHEMBL4019287)	Binding affinity to DNAPK (unknown origin) by Kinomescan assay
50000131	8	ChEMBL_1669398 (CHEMBL4019286)	Binding affinity to human PI4KCbeta (M1 to M828 residues) expressed in mammalian expression system by Kinomescan assay
50000131	9	ChEMBL_1669391 (CHEMBL4019279)	Binding affinity to human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by Kinomescan assay
50000131	10	ChEMBL_1669411 (CHEMBL4019299)	Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method
50000131	11	ChEMBL_1669407 (CHEMBL4019295)	Inhibition of DNAPK (unknown origin)
50000131	12	ChEMBL_1669406 (CHEMBL4019294)	Inhibition of VPS34 (unknown origin)
50000131	13	ChEMBL_1669405 (CHEMBL4019293)	Inhibition of mTOR (unknown origin)
50000131	14	ChEMBL_1669404 (CHEMBL4019292)	Inhibition of PI3Kdelta (unknown origin)
50000131	15	ChEMBL_1669403 (CHEMBL4019291)	Inhibition of PI3Kgamma (unknown origin)
50000131	16	ChEMBL_1669402 (CHEMBL4019290)	Inhibition of PI3Kbeta (unknown origin)
50000131	17	ChEMBL_1669401 (CHEMBL4019289)	Inhibition of PI3Kalpha (unknown origin)
50000131	18	ChEMBL_1669413 (CHEMBL4019301)	Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labeled kinase tracer 314 by TR-FRET assay
50035947	1	ChEMBL_29277 (CHEMBL640338)	Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation
50035947	3	ChEMBL_29276 (CHEMBL640337)	Prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langendorff guinea pig heart preparation
50000131	19	ChEMBL_1669412 (CHEMBL4019300)	Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled kinase tracer 314 by TR-FRET assay
50035949	1	ChEBML_28295	In vitro concentration of compound required for reversibly inhibiting 50% of human anticholinesterase activity
50000133	1	ChEMBL_1669515 (CHEMBL4019403)	Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells SPR analysis
50035950	8	ChEBML_138564	muscarinic acetylcholine receptor M1
50035950	9	ChEBML_138139	Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetylcholine receptor M1
50035951	1	ChEBML_100183	In vitro inhibition of lysosomal phospholipase activity for release of labeled lysophosphatidylcholine
50035952	1	ChEMBL_100184 (CHEMBL706217)	In vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts.
50035952	2	ChEBML_100186	in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts. p<0.05
50035952	3	ChEMBL_100185 (CHEMBL706218)	in vitro inhibitory activity against Lysosomal phospholipase A1 consisting of negatively charged liposomes and lysosomal extracts.
50035954	1	ChEBML_27815	Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%
50035954	2	ChEMBL_27814 (CHEMBL636704)	Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%
50035955	1	ChEBML_209797	In vitro inhibition of partially purified L1210 thymidylate synthase (TS).
50035956	1	ChEBML_146773	Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand)
50000133	2	ChEMBL_1669514 (CHEMBL4019402)	Inhibition of P38 alpha MAPK (unknown origin) by ELISA
50035956	5	ChEBML_146451	In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay
50035956	9	ChEBML_146537	Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane
50000133	3	ChEMBL_1669518 (CHEMBL4019406)	Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells assessed as dissociation rate constant by SPR analysis
50035959	1	ChEMBL_208655 (CHEMBL811431)	Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand
50035959	2	ChEMBL_209366 (CHEMBL812060)	Binding affinity of compound was evaluated towards tachykinin receptor 2 by using radioligand ([125I]-NKA in rat duodenum
50035959	6	ChEMBL_209702 (CHEMBL811688)	Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex
50000133	4	ChEMBL_1669516 (CHEMBL4019404)	Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA
50035961	1	ChEMBL_210710 (CHEMBL813553)	Antagonistic effect against glucocorticoid induced transactivation of tyrosine aminotransferase
50035961	3	ChEMBL_210713 (CHEMBL813556)	Partial agonist(20%) effect against glucocorticoid induced transactivation of tyrosine aminotransferase
50035961	5	ChEMBL_210712 (CHEMBL813555)	Partial agonist (48%) effect against glucocorticoid induced transactivation of tyrosine aminotransferase
50035962	1	ChEMBL_45238 (CHEMBL658941)	In vitro binding affinity against human carbonic anhydrase II
50035962	2	ChEMBL_45237 (CHEMBL658940)	The compound was tested for in vitro binding affinity against human Carbonic anhydrase II
50035964	1	ChEMBL_201278 (CHEMBL804967)	Inhibition of [3H]DTG binding to Sigma opioid receptor
50035964	2	ChEMBL_58706 (CHEMBL672050)	In vitro binding affinity at Dopamine receptor D2 in rat striata using [3H]domperidone as radioligand
50035964	3	ChEMBL_201292 (CHEMBL805782)	Inhibitory activity against Sigma opioid receptor
50035964	5	ChEMBL_201280 (CHEMBL805614)	Opioid activity in terms of inhibition of [3H]dihydromorphine binding to opioid receptor mu in rat brain membrane.
50035964	6	ChEMBL_226537 (CHEMBL846477)	In vitro binding affinity at PCP binding site of sigma-opioid receptors using (+)-[3H]-MK-801 as radioligand
50035964	10	ChEMBL_58185 (CHEMBL669840)	In vitro binding affinity at Dopamine receptor D1 using [3H]SCH-23390 as radioligand
50000134	1	ChEMBL_1669525 (CHEMBL4019413)	Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay
50035964	13	ChEMBL_201291 (CHEMBL805781)	In vitro binding affinity at PCP binding site of Sigma opioid receptor using (+)-[3H]-NANM as radioligand
50035965	2	ChEMBL_202263 (CHEMBL813377)	Inhibitory activity against microsomal Squalene synthase
50000134	2	ChEMBL_1669534 (CHEMBL4019422)	Transactivation of human GAL4-fused PPARgamma ligand binding domain expressed in HEL293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay
50035966	3	ChEBML_44985	Inhibition of Bovine Cathepsin D.
50000134	3	ChEMBL_1669596 (CHEMBL4019484)	Inhibition of sEH in human HepG2 cells using 14(15)-EET-d11 as substrate assessed as reduction in conversion of 14(15)-EET-d11 to 14(15)-DHET-d11 preincubated for 15 mins followed by substrate addition measured after 10 mins LC-MS/MS analysis
50035969	3	ChEMBL_159775 (CHEMBL763100)	The compound was tested for its affinity against HIV-1 protease in vitro
50000134	4	ChEMBL_1669528 (CHEMBL4019416)	Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluorescence photometric method
50035969	5	ChEMBL_160730 (CHEMBL770175)	The compound was tested for its affinity against HIV-2 protease
50035969	6	ChEMBL_158063 (CHEMBL764892)	The compound was tested for its affinity against HIV-2 protease (in vitro)
50035970	2	ChEBML_66717	Inhibition of the epidermal growth factor receptor expressed in A431 cell line
50035972	1	ChEBML_71420	Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol
50000134	5	ChEMBL_1669532 (CHEMBL4019420)	Binding affinity to FXR ligand binding domain (unknown origin) isothermal titration calorimetry assay
50000135	1	ChEMBL_1669670 (CHEMBL4019558)	Inhibition of recombinant human N-terminal His-tagged KHK-A expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins followed by ATP addition measured for 30 mins by pyruvate kinase-lactate dehydrogenase coupled enzyme assay
50000135	2	ChEMBL_1669645 (CHEMBL4019533)	Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins followed by ATP addition measured for 30 mins by pyruvate kinase-lactate dehydrogenase coupled enzyme assay
50000135	3	ChEMBL_1669642 (CHEMBL4019530)	Inhibition of recombinant human N-terminal His-tagged KHK-C expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins followed by ATP addition measured for 30 mins by pyruvate kinase-lactate dehydrogenase coupled enzyme assay
50000135	4	ChEMBL_1669644 (CHEMBL4019532)	Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins followed by ATP addition measured for 30 mins by pyruvate kinase-lactate dehydrogenase coupled enzyme assay
50000135	5	ChEMBL_1669643 (CHEMBL4019531)	Binding affinity to full length recombinant human biotin-labeled KHK by SPR assay
50000135	6	ChEMBL_1669672 (CHEMBL4019560)	Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis
50000137	1	ChEMBL_1669702 (CHEMBL4019590)	Irreversible inhibition of human TG2 using AL5 as substrate by double reciprocal plot method
50000137	2	ChEMBL_1669694 (CHEMBL4019582)	Irreversible inhibition of human TG2 using AL5 as substrate by colorimetric assay
50035973	10	ChEBML_1148	Binding constant against 5-hydroxytryptamine 1A receptor (in vitro)
50000138	1	ChEMBL_1669719 (CHEMBL4019607)	Inhibition of human ERG
50000139	1	ChEBML_1669766	Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis
50000139	5	ChEMBL_1669766 (CHEMBL4019654)	Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis
50000139	4	ChEMBL_1669768 (CHEMBL4019656)	Inhibition of human ERG expressed in CHO cells after 3 mins at -80 mV holding potential by automated patch clamp method
50000139	3	ChEMBL_1669774 (CHEMBL4019662)	Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis
50000139	2	ChEMBL_1669773 (CHEMBL4019661)	Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21(DE3) assessed as reduction in staphyloxanthin levels using diapophytoene as substrate after overnight incubation by spectrophotometric analysis
50035977	1	ChEBML_103126	The inhibitory constant(Ki) for MTA phosphorylase activity was determined by using a mouse liver enzyme preparation
50035978	1	ChEBML_52540	Inhibitory constant was measured on cytidine/deoxycytidine deaminase
50035980	4	ChEMBL_58190 (CHEMBL671846)	Compound was tested in vitro for binding affinity towards Dopamine receptor D1 in rat striatal membrane by using [3H]-SCH- 23390 as radioligand
50035980	5	ChEMBL_61413 (CHEMBL673354)	Compound was tested in vitro for binding affinity towards Dopamine receptor D2 in rat striatal membrane by using [3H]spiperone as radioligand
50035982	3	ChEBML_29468	Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand
50000140	1	ChEMBL_1669840 (CHEMBL4019728)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response administered for 12 secs followed by washout period for 181 secs by voltage clamp technique
50000140	2	ChEMBL_1669844 (CHEMBL4019732)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of maximum current response administered for 12 secs followed by washout period for 181 secs by voltage clamp technique
50000140	3	ChEMBL_1669847 (CHEMBL4019735)	Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response administered for 6 secs followed by washout period for 241 secs by voltage clamp technique
50000142	1	ChEMBL_1669888 (CHEMBL4019776)	Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate after 3 hrs by fluorescence assay
50000142	2	ChEMBL_1669855 (CHEMBL4019743)	Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000142	3	ChEMBL_1669854 (CHEMBL4019742)	Inhibition of human recombinant NAMPT using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluorescence assay
50000142	4	ChEMBL_1669863 (CHEMBL4019751)	Inhibition of recombinant HDAC2 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000142	5	ChEMBL_1669864 (CHEMBL4019752)	Inhibition of human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000142	6	ChEMBL_1669865 (CHEMBL4019753)	Inhibition of human recombinant HDAC3/GST tagged NCOR1 (397 to 503 residues) expressed in insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000142	7	ChEMBL_1669866 (CHEMBL4019754)	Inhibition of GST tagged human recombinant HDAC4 (H86 to 31G) expressed in Baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000142	8	ChEMBL_1669867 (CHEMBL4019755)	Inhibition of GST tagged full length human recombinant HDAC8 (H90 to 30H) expressed in Baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000143	1	ChEMBL_1669890 (CHEMBL4019778)	Binding affinity to human TRPV1 expressed in CHO cells after 45 mins by scintillation counting method
50000143	2	ChEMBL_1669891 (CHEMBL4019779)	Binding affinity to rat TRPV1 after 45 mins by scintillation counting method
50000143	3	ChEMBL_1669893 (CHEMBL4019781)	Displacement of [3H]RTX from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method
50000143	4	ChEMBL_1669894 (CHEMBL4019782)	Displacement of [3H]RTX from rat TRPV1 after 45 mins by scintillation counting method
50000143	5	ChEMBL_1669895 (CHEMBL4019783)	Displacement of [3H]A-778317 from human TRPV1 expressed in CHO cell membranes after 60 mins by scintillation counting method
50000143	6	ChEMBL_1669904 (CHEMBL4019792)	Displacement of [3H]MPOU from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method
50000144	1	ChEMBL_1669916 (CHEMBL4019804)	Binding affinity to LSD1 (unknown origin) by SPR analysis
50000144	2	ChEMBL_1669915 (CHEMBL4019803)	Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin peptide as substrate by TR-FRET assay
50035990	1	ChEBML_44987	Inhibitory activity against bovine Cathepsin D
50035990	2	ChEBML_192731	The concentration producing 50% inhibition of renin activity in monkey plasma was determined by radioimmunoassay.
50035991	2	ChEBML_48430	Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to CCK-B in rabbit gastric gland
50035991	4	ChEMBL_48432 (CHEMBL660360)	Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to cholecystokinin type B receptor in rabbit gastric gland
50035991	6	ChEMBL_48430 (CHEMBL660358)	Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to CCK-B in rabbit gastric gland
50035991	7	ChEMBL_216728 (CHEMBL819999)	Concentration required to inhibit by 50% the specific binding of [125I](BH)-CCK-8 to CCK-B(B2) in rat brain cortex
50000144	3	ChEMBL_1669922 (CHEMBL4019810)	Inhibition of human hERG by patch clamp method
50000144	4	ChEMBL_1669918 (CHEMBL4019806)	Inhibition of LSD1 in human THP1 cells assessed as induction of CD86 expression after 48 hrs by flow cytometric analysis
50035994	1	ChEBML_60355	Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum
50035994	2	ChEBML_58207	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 from pig anterior pituitary tissue
50035994	3	ChEMBL_58207 (CHEMBL672778)	In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 from pig anterior pituitary tissue
50035995	1	ChEBML_36427	In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881
50035995	2	ChEMBL_36427 (CHEMBL649838)	In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881
50035996	1	ChEBML_210389	Inhibitory constant against thermolysin.
50035997	1	ChEBML_61999	Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.
50000145	1	ChEMBL_1669926 (CHEMBL4019814)	Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-induced calcium flux preincubated for 10 mins followed by glutamate addition measured for 3 mins by Fluo4-AM dye based fluorescence assay
50000145	2	ChEMBL_1669931 (CHEMBL4019819)	Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing chimeric G protein assessed as increase in EC20 glutamate-induced cAMP level
50036001	2	ChEBML_47971	Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex
50000145	3	ChEMBL_1669933 (CHEMBL4019821)	Positive allosteric modulation of rat mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-induced calcium flux preincubated for 10 mins followed by glutamate addition measured for 3 mins by Fluo4-AM dye based fluorescence assay
50000145	4	ChEMBL_1670020 (CHEMBL4019908)	Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing chimeric G protein assessed as increase in glutamate-induced calcium flux after 10 mins by Fluo4-AM dye based fluorescence assay
50000146	1	ChEMBL_1670046 (CHEMBL4019934)	Inhibition of recombinant human N-terminal His6-tagged Brd4-BD1 expressed in Escherichia coli BL21(DE3) by LOGSY NMR titration method
50000147	1	ChEMBL_1670047 (CHEMBL4019935)	Competitive binding affinity to human wild type TTR expressed in Escherichia coli BL-21 assessed as equilibrium dissociation constant of second site in presence of ANS by spectrofluorometer
50000147	2	ChEMBL_1670053 (CHEMBL4019941)	Binding affinity to wild type TTR (unknown origin) assessed as equilibrium dissociation constant of second site by isothermal titration calorimetry
50000148	1	ChEMBL_1670059 (CHEMBL4019947)	Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic assay
50000148	2	ChEMBL_1670058 (CHEMBL4019946)	Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic assay
50000149	1	ChEMBL_1670147 (CHEMBL4020035)	Competitive inhibition of 6xHis-tagged human liver glycogen phosphorylase-a expressed in Escherichia coli BL21 Gold (DE3) assessed as release of inorganic phosphate using varying levels of glucose-1-phosphate and constant concentration of AMP and glycogen preincubated for 15 mins with AMP and glycogen followed by glucose-1-phosphate addition by Lineweaver-Burk plot method
50000149	2	ChEMBL_1670146 (CHEMBL4020034)	Inhibition of rabbit muscle glycogen phosphorylase
50000149	3	ChEMBL_1670144 (CHEMBL4020032)	Competitive inhibition of rabbit muscle glycogen phosphorylase b using glucose-1-phosphate as substrate in presence of constant concentrations of glycogen and AMP
50000149	4	ChEMBL_1670148 (CHEMBL4020036)	Competitive inhibition of rabbit muscle glycogen phosphorylase-b in presence of varying levels of glucose-1-phosphate and constant concentration of glycogen and AMP preincubated for 15 mins with AMP and glycogen followed by glucose-1-phosphate addition by Lineweaver-Burk plot method
50000149	5	ChEMBL_1670145 (CHEMBL4020033)	Competitive inhibition of human liver glycogen phosphorylase-a assessed as release of inorganic phosphate using varying levels of glucose-1-phosphate and constant concentration of AMP and glycogen preincubated for 15 mins with AMP and glycogen followed by glucose-1-phosphate addition
50000149	6	ChEMBL_1670149 (CHEMBL4020037)	Competitive inhibition of rabbit muscle glycogen phosphorylase-a in presence of varying levels of glucose-1-phosphate and constant concentration of glycogen and AMP preincubated for 15 mins with AMP and glycogen followed by glucose-1-phosphate addition by Lineweaver-Burk plot method
50000150	1	ChEMBL_1670151 (CHEMBL4020039)	Binding affinity to GST tagged EED (unknown origin) after 1 hr by OG(488) probe based TR-FRET assay
50000150	2	ChEMBL_1670154 (CHEMBL4020042)	Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay
50000150	3	ChEMBL_1670155 (CHEMBL4020043)	Binding affinity to His tagged human EED (77 to 441 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC method
50000152	1	ChEMBL_1670159 (CHEMBL4020047)	Inhibition of human recombinant His-tagged MTH1 expressed in Escherichia coli BL21 using dGTP as substrate after 15 mins by malachite green reagent-based assay
50000153	1	ChEMBL_1670169 (CHEMBL4020057)	Inhibition of full length human C-terminal His-tagged Hsp90 alpha expressed in Escherichia coli by fluorescence polarization assay
50000155	1	ChEMBL_1670186 (CHEMBL4020074)	Inhibition of full length human XPA expressed in Sf9 cells assessed as reduction in interaction of XPA with 32P-labeled cisplatin-modified dsDNA by EMSA
50000156	1	ChEMBL_1670248 (CHEMBL4020136)	Agonist activity at wild type P2Y2 receptor (unknown origin) expressed in human 1321N1 astrocytoma cells assessed as increase in intracellular calcium mobilization after 1 hr by Fluo-4 AM dye based fluorescence assay
50000157	1	ChEMBL_1670305 (CHEMBL4020193)	Inhibition of recombinant human LYN using TK-substrate-biotin after 40 mins by HTRF assay
50000157	2	ChEMBL_1670306 (CHEMBL4020194)	Inhibition of His-tagged full length recombinant human BMX expressed in baculovirus expression system using TK-substrate-biotin after 40 mins by HTRF assay
50000157	3	ChEMBL_1670319 (CHEMBL4020207)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition by filter binding method
50000157	4	ChEMBL_1670320 (CHEMBL4020208)	Inhibition of human TEC using poly[Glu:Tyr] as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition by filter binding method
50000157	5	ChEMBL_1670322 (CHEMBL4020210)	Inhibition of BTK (unknown origin) preincubated for 1 hr followed by ATP addition measured after 1 hr by immobilized metal ion affinity-based fluorescence polarization assay
50000157	6	ChEMBL_1670301 (CHEMBL4020189)	Inhibition of human N-terminal His-tagged p38alpha expressed in Escherichia coli BL21 DE3 using Ser/Thr-15 peptide as substrate after 60 mins by Z'-LYTE assay
50000157	7	ChEMBL_1670302 (CHEMBL4020190)	Inhibition of human N-terminal His-tagged BTK expressed in bacmid transfected Sf21 insect cells using TK-substrate-biotin after 40 mins by HTRF assay
50000157	8	ChEMBL_1670303 (CHEMBL4020191)	Inhibition of His-tagged full length recombinant human LCK expressed in baculovirus expression system using TK-substrate-biotin after 40 mins by HTRF assay
50000157	9	ChEMBL_1670304 (CHEMBL4020192)	Inhibition of C-terminal His-tagged full length recombinant human FYN expressed in baculovirus expression system using TK-substrate-biotin after 40 mins by HTRF assay
50000157	10	ChEMBL_1670323 (CHEMBL4020211)	Inhibition of TEC (unknown origin) after 2 hrs by LanthaScreen assay
50000159	1	ChEMBL_1670395 (CHEMBL4020283)	Inhibition of BRD4 in human H1299 cells assessed as decrease in HPV LCR-E2-EP400-mediated transcriptional repression after 24 hrs by Bright-Glo luciferase reporter gene assay
50000159	2	ChEMBL_1670372 (CHEMBL4020260)	Binding affinity to human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50000159	3	ChEMBL_1670371 (CHEMBL4020259)	Binding affinity to BRDT BD1 to BD2 (N21 to P380 residues) (unknown origin)
50000159	4	ChEMBL_1670369 (CHEMBL4020257)	Binding affinity to BRD3 BD1 to BD2 (P24 to A416 residues) (unknown origin)
50000159	5	ChEMBL_1670367 (CHEMBL4020255)	Binding affinity to BRD2 BD1 to BD2 (G73 to A560 residues) (unknown origin)
50000159	6	ChEMBL_1670382 (CHEMBL4020270)	Binding affinity to human BRD8 (1) (S700 to F854 residues) expressed in mammalian expression system by BROMOscan assay
50000159	7	ChEMBL_1670384 (CHEMBL4020272)	Binding affinity to human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50000159	8	ChEMBL_1670385 (CHEMBL4020273)	Binding affinity to human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50000159	9	ChEMBL_1670387 (CHEMBL4020275)	Binding affinity to human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50000159	10	ChEMBL_1670388 (CHEMBL4020276)	Binding affinity to human PBRM1 bromodomain-2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50000159	11	ChEMBL_1670389 (CHEMBL4020277)	Binding affinity to human WDR9(2) (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50000159	12	ChEMBL_1670329 (CHEMBL4020217)	Binding affinity to human N-terminal His6-tagged BRD4 BD1-BD2 (K57 to K550 residues) after 1 hr using alexa-647 conjugated probe by TR-FRET assay
50000159	13	ChEMBL_1670381 (CHEMBL4020269)	Binding affinity to human TAF1L (2) (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50000159	14	ChEMBL_1670379 (CHEMBL4020267)	Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50000159	15	ChEMBL_1670377 (CHEMBL4020265)	Binding affinity to human PCAF (G715 to D831 residues) expressed in mammalian expression system by BROMOscan assay
50000159	16	ChEMBL_1670375 (CHEMBL4020263)	Binding affinity to human GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50000159	17	ChEMBL_1670374 (CHEMBL4020262)	Binding affinity to human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50000159	18	ChEMBL_1670402 (CHEMBL4020290)	Antagonist activity at peripheral benzodiazepine receptor (unknown origin)
50036004	1	ChEBML_83429	The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM
50036006	1	ChEBML_63870	Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes
50000159	19	ChEMBL_1670370 (CHEMBL4020258)	Binding affinity to N-terminal His6-tagged human BRD4 BD1 to BD2 (K57 to K550 residues) by isothermal titration calorimetry
50000159	20	ChEMBL_1670373 (CHEMBL4020261)	Binding affinity to human BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50000159	21	ChEMBL_1670380 (CHEMBL4020268)	Binding affinity to human TRIM24 (PHD, Bromo) (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50000159	22	ChEMBL_1670376 (CHEMBL4020264)	Binding affinity to human PBRM1 bromodamian-5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50000159	23	ChEMBL_1670401 (CHEMBL4020289)	Antagonist activity at adenosine A2B receptor (unknown origin)
50000159	24	ChEMBL_1670383 (CHEMBL4020271)	Binding affinity to human EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay
50000159	25	ChEMBL_1670386 (CHEMBL4020274)	Binding affinity to human BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50000159	26	ChEMBL_1670390 (CHEMBL4020278)	Binding affinity to human TRIM33 (PHD, Bromo) (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50036008	2	ChEBML_62224	Binding affinity against dopamine receptor D2 from rat brain, using [3H](-)-sulpiride as radioligand.
50036008	6	ChEMBL_154698 (CHEMBL763534)	Binding affinity against phencyclidine (PCP) receptor from guinea pig brain, using [3H]TCP as radioligand.
50000161	1	ChEMBL_1670428 (CHEMBL4020316)	Inhibition of cytoplasmic LeuRS in human HepG2 cells assessed as reduction in protein synthesis preincubated for 48 hrs followed by L-[14C]leucine addition measured after 3 hrs by liquid scintillation counting analysis
50000161	2	ChEMBL_1670423 (CHEMBL4020311)	Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to Escherichia coli tRNA after 20 mins by liquid scintillation counting analysis
50000161	3	ChEMBL_1670425 (CHEMBL4020313)	Inhibition of human N-terminal 6His-tagged cytoplasmic LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to Escherichia coli tRNA after 20 mins by liquid scintillation counting analysis
50000161	4	ChEMBL_1670427 (CHEMBL4020315)	Inhibition of human N-terminal 6His-tagged mitochondrial LeuRS expressed in Escherichia coli BL21(DE3) assessed as L-[14C]leucine incorporation in to Escherichia coli tRNA after 20 mins by liquid scintillation counting analysis
50000162	1	ChEMBL_1670491 (CHEMBL4020379)	Displacement of [3H]-1,25-(OH)2D3 from N-terminal GST-tagged human recombinant vitamin D receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) pLys S after 16 hrs
50036011	2	ChEMBL_62413 (CHEMBL675738)	Compound was evaluated for binding affinity towards Dopamine receptor D2 using radioligand [3H]SPI
50000162	2	ChEMBL_1670487 (CHEMBL4020375)	Antagonist activity at human vitamin D receptor expressed in HEK293 cells assessed as inhibition of 1,25D3-induced transactivation after 16 hrs by dual luciferase reporter gene assay
50000163	1	ChEMBL_1670572 (CHEMBL4020460)	Inhibition of human N-terminal His-tagged AKR1B10 expressed in Escherichia coli BL21 using retinaldehyde as substrate
50000163	2	ChEMBL_1670573 (CHEMBL4020461)	Inhibition of human AKR1B1 assessed as decrease in glyceraldehyde reduction
50000163	3	ChEMBL_1670574 (CHEMBL4020462)	Inhibition of AKR1B10 (unknown origin)
50000163	4	ChEMBL_1670575 (CHEMBL4020463)	Inhibition of AKR1B1 (unknown origin)
50036011	5	ChEBML_62407	Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI
50000163	5	ChEMBL_1670577 (CHEMBL4020465)	Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate by fluorescence assay
50000163	6	ChEMBL_1670578 (CHEMBL4020466)	Inhibition of human recombinant AKR1B10 (1 to 316 residues) expressed in Escherichia coli using pyridine-3-aldehyde as substrate
50000163	7	ChEMBL_1670579 (CHEMBL4020467)	Inhibition of human recombinant AKR1B1 (1 to 316 residues) expressed in Escherichia coli using pyridine-3-aldehyde as substrate
50000163	8	ChEMBL_1670581 (CHEMBL4020469)	Inhibition of human AKR1B1 using glyceraldehyde as substrate measured for 3 mins by UV-vis spectrophotometer
50000163	9	ChEMBL_1670539 (CHEMBL4020427)	Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate
50000163	10	ChEMBL_1670540 (CHEMBL4020428)	Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate
50000163	11	ChEMBL_1670543 (CHEMBL4020431)	Inhibition of recombinant human AKR1A1 using pyridine-3-aldehyde as substrate
50000163	12	ChEMBL_1670544 (CHEMBL4020432)	Inhibition of recombinant human AKR1C1 using S-tetralol as substrate
50000163	13	ChEMBL_1670545 (CHEMBL4020433)	Inhibition of recombinant human AKR1C2 using S-tetralol as substrate
50000163	14	ChEMBL_1670546 (CHEMBL4020434)	Inhibition of recombinant human AKR1C3 using S-tetralol as substrate
50000163	15	ChEMBL_1670547 (CHEMBL4020435)	Inhibition of recombinant human AKR1C4 using S-tetralol as substrate
50000163	16	ChEMBL_1670548 (CHEMBL4020436)	Inhibition of recombinant human CBR1 using isatin as substrate
50000163	17	ChEMBL_1670555 (CHEMBL4020443)	Competitive inhibition of recombinant human AKR1B10 in presence of geraniol as substrate by Lineweaver-Burk plot method
50000163	18	ChEMBL_1670576 (CHEMBL4020464)	Inhibition of recombinant human intestinal N-terminal 6-His-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells using pyridine-3-aldehyde as substrate by fluorescence assay
50000163	19	ChEMBL_1670580 (CHEMBL4020468)	Inhibition of human AKR1B10 expressed in Escherichia coli BL21(DE3) using pyridine-3-aldehyde as substrate measured for 3 mins by UV-vis spectrophotometer
50000164	1	ChEBML_1670608	Inhibition of human recombinant PDE6C using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay
50000164	2	ChEBML_1670607	Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay
50000165	1	ChEMBL_1670897 (CHEMBL4020926)	Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate by fluorometric assay
50000165	2	ChEMBL_1670898 (CHEMBL4020927)	Inhibition of human recombinant HDAC2 using Fluor de Lys green as substrate by fluorometric assay
50000165	3	ChEMBL_1670899 (CHEMBL4020928)	Inhibition of human recombinant HDAC6 using Fluor de Lys as substrate after 60 mins by fluorometric assay
50000166	1	ChEMBL_1670919 (CHEMBL4020948)	Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCalpha (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation counting
50000166	2	ChEMBL_1670921 (CHEMBL4020950)	Displacement of [20-3H]phorbol 12,13-dibutyrate from RasGRP1 (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation counting
50000166	3	ChEMBL_1670920 (CHEMBL4020949)	Displacement of [20-3H]phorbol 12,13-dibutyrate from PKCepsilon (unknown origin) in the presence of porcine brain phosphatidylserine by scintillation counting
50000167	1	ChEMBL_1670926 (CHEMBL4020955)	Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expressed in baculovirus expression system after 60 min by TR-FRET assay
50000167	2	ChEMBL_1670927 (CHEMBL4020956)	Inhibition of kinase tracer 236 binding to GST-tagged CDK19/CycC (unknown origin) after 60 min by TR-FRET assay
50000167	3	ChEMBL_1670928 (CHEMBL4020957)	Inhibition of CDK8 in human SW480 cells assessed as reduction in IFN-gamma induced STAT1 phosphorylation at Ser727 residues preincubated for 2 hrs followed by IFN-gamma addition measured after 1 hr by In-cell western assay
50036014	1	ChEBML_164619	Blockade of calcium-evoked contractions in depolarized aortic strips
50036015	4	ChEMBL_61852 (CHEMBL670039)	Compound was evaluated for the inhibition of [3H]WIN-35428l binding to dopamine transporter
50036015	5	ChEBML_142625	Inhibition of [3H]mazindol binding to Norepinephrine transporter
50036016	1	ChEMBL_4191 (CHEMBL619993)	The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS] (in vivo)
50036016	2	ChEBML_740	The compound was tested for inhibitory activity against 5-Lipoxygenase receptor in rat polymorphonuclear leukocytes[PMNS]
50036016	4	ChEMBL_4187 (CHEMBL619989)	The compound was tested for inhibitory activity against 5-lipoxygenase in rat RBL-1
50036016	5	ChEBML_729	The compound was tested for inhibitory activity against 5-Lipoxygenase in human polymorphonuclear leukocytes[PMNS]
50036016	6	ChEMBL_738 (CHEMBL615640)	The compound was tested for inhibitory activity against 5-Lipoxygenase in rat RBL-1
50036016	8	ChEMBL_739 (CHEMBL615796)	The compound was tested for inhibitory activity against 5-Lipoxygenase in rat blood
50036016	10	ChEMBL_3834 (CHEMBL875087)	The compound was tested for inhibitory activity against 5-lipoxygenase in human polymorphonuclear leukocytes[PMNS]
50036016	11	ChEMBL_3835 (CHEMBL618019)	The compound was tested for inhibitory activity against LT synthesis in human polymorphonuclear leukocytes[PMNS]
50036016	12	ChEBML_3867	The compound was tested for inhibitory activity against 5-lipoxygenase in mouse macrophages
50036016	16	ChEMBL_4188 (CHEMBL619990)	The compound was tested for inhibitory activity against 5-lipoxygenase in rat RBL-1 cells
50036016	17	ChEMBL_726 (CHEMBL615628)	The compound was tested for inhibitory activity against 5-Lipoxygenase in guinea pig polymorphonuclear leukocytes
50036016	18	ChEMBL_4186 (CHEMBL619988)	The compound was tested for inhibitory activity against 5-lipoxygenase in mouse
50036016	20	ChEMBL_4190 (CHEMBL619992)	The compound was tested for inhibitory activity against 5-lipoxygenase in rat polymorphonuclear leukocytes[PMNS] (in vitro)
50036016	21	ChEMBL_4194 (CHEMBL619996)	The compound was tested for inhibitory activity against 5-lipoxygenase using rat polymorphonuclear leukocytes[PMNS]
50036016	22	ChEMBL_740 (CHEMBL615845)	The compound was tested for inhibitory activity against 5-Lipoxygenase receptor in rat polymorphonuclear leukocytes[PMNS]
50036016	24	ChEMBL_3981 (CHEMBL619254)	The compound was tested for inhibitory activity against 5-Lipoxygenase in rat polymorphonuclear leukocytes[PMNS]
50036016	26	ChEMBL_4193 (CHEMBL619995)	The compound was tested for inhibitory activity against 5-lipoxygenase translocation inhibitor in rat RBL-2H3 cells
50036017	1	ChEBML_195741	Compound was evaluated for inhibition of plasma renin activity in human
50036017	3	ChEBML_44968	Compound was evaluated for the percent inhibition of Cathepsin D in Bovine
50036017	5	ChEMBL_44968 (CHEMBL662698)	Compound was evaluated for the percent inhibition of Cathepsin D in Bovine
50036017	6	ChEBML_154157	Compound was evaluated for the percent inhibition of pepsin
50036017	8	ChEBML_196297	Compound was evaluated for inhibition of plasma renin activity in rat
50036018	5	ChEMBL_50040 (CHEMBL662409)	Compound was evaluated for inhibition of CCK-A receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the rat pancreas
50036019	2	ChEMBL_3806 (CHEMBL619881)	In vitro inhibition of leukotriene B4 synthesis in human whole blood by inhibiting 5-LPO (5-lipoxygenase)
50000168	1	ChEMBL_1670959 (CHEMBL4020988)	Inhibition of recombinant human full length HDAC4 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis
50036021	1	ChEBML_209812	In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cells
50036021	2	ChEMBL_209811 (CHEMBL815676)	In vitro inhibitory activity against thymidylate synthase (TS) from L1210 mouse leukemia cells
50036022	1	ChEBML_49492	Concentration inhibiting Clostridium histolyticum collagenase.
50036022	2	ChEMBL_49492 (CHEMBL662787)	Concentration inhibiting Clostridium histolyticum collagenase.
50000168	2	ChEMBL_1670960 (CHEMBL4020989)	Inhibition of recombinant human full length HDAC6 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis
50000168	3	ChEMBL_1670961 (CHEMBL4020990)	Inhibition of recombinant human full length HDAC8 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis
50000168	4	ChEMBL_1670958 (CHEMBL4020987)	Inhibition of recombinant human full length HDAC1 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis
50000168	5	ChEMBL_1670952 (CHEMBL4020981)	Inhibition of recombinant human full length HDAC2 using Fluor-de-Lys as substrate after 60 mins by spectrofluorimetric analysis
50000169	1	ChEMBL_1670976 (CHEMBL4021005)	Inhibition of recombinant PTP1B (unknown origin) using p-NPP as substrate after 30 mins by UV-spectroscopic analysis
50000169	2	ChEMBL_1670989 (CHEMBL4021018)	Inhibition of PTP1B (unknown origin) using p-NPP as substrate measured every 30 secs for 15 mins
50000169	3	ChEMBL_1670978 (CHEMBL4021007)	Inhibition of SHP2 (unknown origin)
50000169	4	ChEMBL_1670977 (CHEMBL4021006)	Inhibition of TCPTP (unknown origin)
50000170	1	ChEMBL_1670998 (CHEMBL4021027)	Antagonist activity at recombinant human full length EPAC1 assessed as inhibition of EPAC1-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NBD-cAMP competition assay
50000170	2	ChEMBL_1670999 (CHEMBL4021028)	Antagonist activity at mouse EPAC2 assessed as inhibition of EPAC2-mediated Rap1B (1 to 167 residues)-BODIPY GDP nucleotide exchange activity by 8-NBD-cAMP competition assay
50036024	14	ChEMBL_147216 (CHEMBL755421)	In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.
50000172	1	ChEMBL_1671052 (CHEMBL4021081)	Agonist activity at zebrafish VDR LBD (156 to 453 residues) expressed in HEK293 EBNA cells harboring human CYP24-Tk-Luc plasmid assessed as induction of CYP24a1 gene after 18 hrs by dual-luciferase transcriptional reporter gene assay
50000173	1	ChEMBL_1671084 (CHEMBL4021113)	Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 30 secs by Ellman's method
50000173	2	ChEMBL_1671085 (CHEMBL4021114)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate measured for 30 secs by Ellman's method
50000173	3	ChEMBL_1671086 (CHEMBL4021115)	Inhibition of horse BChE using butyrylthiocholine iodide as substrate measured for 30 secs by Ellman's method
50000173	4	ChEMBL_1671087 (CHEMBL4021116)	Binding affinity to Electric eel AChE
50000173	5	ChEMBL_1671088 (CHEMBL4021117)	Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric analysis
50000173	6	ChEMBL_1671089 (CHEMBL4021118)	Inhibition of human BChE using butyrylthiocholine as substrate measured for 30 secs by Ellman's method
50000173	7	ChEMBL_1671090 (CHEMBL4021119)	Binding affinity to human AChE using acetylthiocholine as substrate by spectrophotometric analysis
50000173	8	ChEMBL_1671092 (CHEMBL4021121)	Binding affinity to human AChE
50000173	9	ChEMBL_1671093 (CHEMBL4021122)	Binding affinity to Electric eel AChE using acetylthiocholine as substrate measured for 30 secs by Ellman's method
50000173	10	ChEMBL_1671094 (CHEMBL4021123)	Inhibition of human AChE using p-nitrophenyl acetate as substrate measured for 30 secs by spectrophotometric analysis
50000173	11	ChEMBL_1671099 (CHEMBL4021128)	Inhibition of human AChE assessed as equilibrium constant using acetylthiocholine as substrate after 30 mins
50000173	12	ChEMBL_1671100 (CHEMBL4021129)	Inhibition of equine BChE assessed as equilibrium constant using butyrylthiocholine iodide as substrate after 30 mins
50000173	13	ChEMBL_1671107 (CHEMBL4021136)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 30 min followed by substrate addition measured every 2 secs for 50 secs by Ellman's method
50000173	14	ChEMBL_1671091 (CHEMBL4021120)	Binding affinity to human BChE using butyrylthiocholine as substrate measured for 30 secs by Ellman's method
50000180	1	ChEMBL_1671192 (CHEMBL4021221)	Inhibition of RON (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	2	ChEMBL_1671194 (CHEMBL4021223)	Inhibition of FLT1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	3	ChEMBL_1671195 (CHEMBL4021224)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	4	ChEMBL_1671197 (CHEMBL4021226)	Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	5	ChEMBL_1671198 (CHEMBL4021227)	Inhibition of PDGFRbeta (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	6	ChEMBL_1671199 (CHEMBL4021228)	Inhibition of RET (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	7	ChEMBL_1671202 (CHEMBL4021231)	Inhibition of ERBB4 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	8	ChEMBL_1671204 (CHEMBL4021233)	Inhibition of ABL (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	9	ChEMBL_1671205 (CHEMBL4021234)	Inhibition of EPHA2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	10	ChEMBL_1671206 (CHEMBL4021235)	Inhibition of EPHB2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	11	ChEMBL_1671208 (CHEMBL4021237)	Inhibition of FGFR1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	12	ChEMBL_1671170 (CHEMBL4021199)	Inhibition of c-MET (unknown origin) using TK substrate-biotin peptide as substrate preincubated for 5 to 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50000180	13	ChEMBL_1671193 (CHEMBL4021222)	Inhibition of ALK (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	14	ChEMBL_1671196 (CHEMBL4021225)	Inhibition of c-Kit (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	15	ChEMBL_1671200 (CHEMBL4021229)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	16	ChEMBL_1671203 (CHEMBL4021232)	Inhibition of c-Src (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	17	ChEMBL_1671207 (CHEMBL4021236)	Inhibition of IGF1R (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000180	18	ChEMBL_1671191 (CHEMBL4021220)	Inhibition of Axl (unknown origin) using FAM-labeled peptide as substrate preincubated for 5 to 10 mins followed by substrate/ATP addition measured after 30 to 60 mins by mobility shift assay
50000181	1	ChEMBL_1671226 (CHEMBL4021255)	Inhibition of EGFR (unknown origin) by HTRF method
50000181	2	ChEMBL_1671223 (CHEMBL4021252)	Inhibition of recombinant c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 45 mins by ELISA
50000181	3	ChEMBL_1671230 (CHEMBL4021259)	Inhibition of PDGFRalpha (unknown origin) by HTRF method
50000181	4	ChEMBL_1671229 (CHEMBL4021258)	Inhibition of KIT (unknown origin) by HTRF method
50000181	5	ChEMBL_1671228 (CHEMBL4021257)	Inhibition of VEGFR-2 (unknown origin) by HTRF method
50000181	6	ChEMBL_1671227 (CHEMBL4021256)	Inhibition of FLT3 (unknown origin) by HTRF method
50036030	2	ChEBML_58531	Ability to displace [3H]spiroperidol, from dopamine receptor D2 specific binding sites of rat striatal membranes
50000181	7	ChEMBL_1671239 (CHEMBL4021268)	Competitive inhibition of c-MET (unknown origin) in presence of ATP
50000181	8	ChEMBL_1671233 (CHEMBL4021262)	Inhibition of c-MET (unknown origin)
50000181	9	ChEMBL_1671231 (CHEMBL4021260)	Inhibition of RET (unknown origin) by HTRF method
50000181	10	ChEMBL_1671234 (CHEMBL4021263)	Inhibition of VEGFR-2 (unknown origin)
50000183	1	ChEMBL_1671253 (CHEMBL4021282)	Reversible inhibition of NH2-terminal 6His-tagged FAK catalytic domain (410 to 689 residues) (unknown origin) expressed in Sf9 insect cells using p(Glu/Tyr) as substrate
50000183	2	ChEMBL_1671254 (CHEMBL4021283)	Reversible inhibition of PYK2 (unknown origin)
50000184	1	ChEMBL_1671282 (CHEMBL4021311)	Inhibition of HDAC8 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000184	2	ChEMBL_1671283 (CHEMBL4021312)	Inhibition of HDAC4 (unknown origin) using Boc-Lys (triflouroacetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000184	3	ChEMBL_1671284 (CHEMBL4021313)	Inhibition of HDAC6 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50036031	3	ChEMBL_29323 (CHEMBL642987)	Binding affinity towards adenosine A1 receptor in rat whole brain membranes using N6-[3H]cyclohexyladenosine
50000184	4	ChEMBL_1671279 (CHEMBL4021308)	Inhibition of HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50036031	6	ChEBML_29322	Binding affinity towards adenosine A1 receptor in rat forebrain membranes using N6-[3H]cyclohexyladenosine
50000184	5	ChEMBL_1671280 (CHEMBL4021309)	Inhibition of HDAC2 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000184	6	ChEMBL_1671281 (CHEMBL4021310)	Inhibition of HDAC3 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000185	1	ChEMBL_1671325 (CHEMBL4021354)	Inhibition of human ERG
50000185	2	ChEMBL_1671316 (CHEMBL4021345)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase in cAMP accumulation incubated for 15 mins followed by agonist treatment for 15 mins by HTRF assay
50000185	3	ChEMBL_1671317 (CHEMBL4021346)	Antagonist activity at human adenosine A2B receptor expressed in mouse NIH/3T3 cells assessed as inhibition of NECA-induced IL-6 release incubated for 15 mins followed by agonist treatment for 15 mins by HTRF assay
50000185	4	ChEMBL_1671313 (CHEMBL4021342)	Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins
50000186	1	ChEMBL_1671334 (CHEMBL4021363)	Inhibition of human SIRT2
50000186	2	ChEMBL_1671335 (CHEMBL4021364)	Inhibition of SIRT1 (unknown origin)
50000186	3	ChEMBL_1671336 (CHEMBL4021365)	Inhibition of SIRT3 (unknown origin)
50036033	1	ChEBML_98492	In vitro inhibition of ionophore stimulated LTB4 release from human peripheral blood leukocytes.
50000187	1	ChEMBL_1671351 (CHEMBL4021380)	Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 mins by fluorescence assay
50000187	2	ChEMBL_1671349 (CHEMBL4021378)	Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 mins by fluorescence assay
50000187	3	ChEMBL_1671347 (CHEMBL4021376)	Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 mins by fluorescence assay
50000187	4	ChEMBL_1671356 (CHEMBL4021385)	Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins by fluorescence assay
50000187	5	ChEMBL_1671353 (CHEMBL4021382)	Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate after 30 mins by fluorescence assay
50000187	6	ChEMBL_1671359 (CHEMBL4021388)	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 mins by fluorescence assay
50000188	1	ChEBML_1671361	Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50036035	1	ChEBML_63192	Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells
50036035	2	ChEBML_64038	Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes
50000188	2	ChEBML_1671362	Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50036036	3	ChEBML_140542	Displacement of [3H]glycine from glycine site on the NMDA receptor.
50000188	3	ChEBML_1671363	Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50036037	1	ChEBML_208493	In vitro inhibitory activity against thrombin
50036037	2	ChEBML_49144	In vitro inhibitory activity against Coagulation factor X
50036037	3	ChEBML_155603	In vitro inhibitory activity against plasmin
50036037	4	ChEBML_210761	In vitro inhibitory activity against Urokinase-type plasminogen activator
50036037	5	ChEBML_92393	In vitro inhibitory activity against Kallikrein
50036038	1	ChEBML_195198	Concentration required to inhibit HIV reverse transcriptase
50000188	4	ChEBML_1671364	Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50000164	3	ChEMBL_1670607 (CHEMBL4020495)	Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay
50000164	4	ChEMBL_1670608 (CHEMBL4020496)	Inhibition of human recombinant PDE6C using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay
50000189	1	ChEMBL_1670632 (CHEMBL4020520)	Inhibition of wild type KIT (unknown origin) using biotinylated poly-Glu-Tyr as substrate preincubated for 30 mins followed by substrate addition in presence of ATP by TR-FRET assay
50000190	1	ChEMBL_1670737 (CHEMBL4020625)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by patch clamp assay
50000191	1	ChEMBL_1670756 (CHEMBL4020644)	Displacement of FITC-labeled RLRGG peptide from N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) after 10 mins by fluorescence polarization assay
50000191	2	ChEMBL_1670754 (CHEMBL4020642)	Binding affinity to N-terminal Avi-tagged/C-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) after 30 secs by SPR assay
50000191	3	ChEMBL_1670755 (CHEMBL4020643)	Binding affinity to N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50036041	6	ChEBML_159124	Inhibition of HIV-2 protease in 5%DMSO
50000192	1	ChEMBL_1670776 (CHEMBL4020664)	Inhibition of photoactivatable [125I]-Tyr-Bpa-Ala-hexarelin binding to CD36 in Sprague-Dawley rat heart membranes after 60 mins by SDS-PAGE analysis
50036041	9	ChEBML_45329	Inhibitory concentration against cathepsin D
50036041	10	ChEMBL_158061 (CHEMBL764890)	Inhibitory concentration against HIV-2 protease
50036041	12	ChEBML_158058	In vitro Inhibitory activity against HIV-2 protease in the presence of 5%DMSO
50000193	1	ChEMBL_1670787 (CHEMBL4020675)	Binding affinity to recombinant human GFP-fused ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) after 40 mins in presence of 17beta-estradiol by fluorescence polarization assay
50036041	13	ChEBML_196439	Inhibitory concentration against renin
50000193	2	ChEMBL_1670788 (CHEMBL4020676)	Binding affinity to recombinant human GFP-fused ERbeta LBD (259 to 498 residues) expressed in Escherichia coli BL21(DE3) after 40 mins in presence of 17beta-estradiol by fluorescence polarization assay
50000193	3	ChEMBL_1670789 (CHEMBL4020677)	Binding affinity to recombinant human GST-tagged PGR LBD (678 to 933 residues) expressed in Escherichia coli BL21 star(DE3) after 40 mins in presence of progesterone by fluorescence polarization assay
50000193	4	ChEMBL_1670790 (CHEMBL4020678)	Binding affinity to recombinant human GST-tagged VDR LBD (156 to 453 residues) expressed in Echerichia coli BL21 star (DE3) after 40 mins in presence of vitamin D3 by fluorescence polarization assay
50036042	1	ChEBML_154987	Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation
50000196	1	ChEMBL_1670824 (CHEMBL4020853)	Inhibition of trypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Boc-Leu-Arg-Arg-AMC substrate addition by fluorescence assay
50000196	2	ChEMBL_1670825 (CHEMBL4020854)	Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins for 60 mins by fluorescence assay
50000196	3	ChEMBL_1670831 (CHEMBL4020860)	Inhibition of FAS thioster domain (unknown origin)
50000196	4	ChEMBL_1670823 (CHEMBL4020852)	Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate addition by fluorescence assay
50000196	5	ChEMBL_1670822 (CHEMBL4020851)	Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substrate addition by fluorescence assay
50036044	3	ChEMBL_217926 (CHEMBL823656)	Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]-CHA
50000188	5	ChEMBL_1671364 (CHEMBL4021393)	Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50000188	6	ChEMBL_1671362 (CHEMBL4021391)	Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50000188	7	ChEMBL_1671361 (CHEMBL4021390)	Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50000188	8	ChEMBL_1671363 (CHEMBL4021392)	Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by stopped flow assay
50036046	1	ChEMBL_208658 (CHEMBL813318)	Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to Tachykinin receptor 1 from rat forebrain membranes.
50036047	1	ChEBML_143821	Displacement of l25I-PYY from Neuropeptide Y receptor type 1 of human neuroblastoma SK-N-MC cells
50036047	2	ChEBML_143848	Displacement of l25I-PYY from Neuropeptide Y receptor type 2 of human neuroblastoma SK-N-BE cells
50036048	1	ChEMBL_3898 (CHEMBL619903)	Evaluated in vitro for its inhibitory activity against 5-lipoxygenase
50000197	1	ChEMBL_1671381 (CHEMBL4021410)	Inhibition of MDR-1 in human Caco-2 cells after 30 mins by calcein-AM dye based fluorescence assay
50036048	3	ChEBML_3898	Evaluated in vitro for its inhibitory activity against 5-lipoxygenase
50000198	1	ChEMBL_1671410 (CHEMBL4021439)	Inhibition of DPP2 (unknown origin)
50000198	2	ChEMBL_1671411 (CHEMBL4021440)	Inhibition of PPCE (unknown origin)
50000198	3	ChEMBL_1671412 (CHEMBL4021441)	Inhibition of NEP (unknown origin)
50036049	1	ChEMBL_122941 (CHEMBL733227)	Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes
50036049	2	ChEBML_122940	Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes
50036049	4	ChEBML_123923	Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes
50000198	4	ChEMBL_1671413 (CHEMBL4021442)	Inhibition of APN (unknown origin)
50000198	5	ChEMBL_1671399 (CHEMBL4021428)	Inhibition of Wistar rat plasma DPP4
50036050	2	ChEMBL_63662 (CHEMBL675718)	Inhibitory activity against Human Leukocyte Elastase
50036050	3	ChEMBL_64005 (CHEMBL671386)	Second order rate constant for the in vitro inhibitory activity against human leukocyte elastase
50036050	4	ChEMBL_63995 (CHEMBL673104)	Inhibitory activity against HLE at 10 min (48 mM conc)
50000198	6	ChEMBL_1671400 (CHEMBL4021429)	Inhibition of ob/ob mouse plasma DPP4
50000198	7	ChEMBL_1671401 (CHEMBL4021430)	Inhibition of human plasma DPP4
50000198	8	ChEMBL_1671402 (CHEMBL4021431)	Inhibition of Wistar rat plasma ACE
50000198	9	ChEMBL_1671403 (CHEMBL4021432)	Inhibition of ob/ob mouse plasma ACE
50000198	10	ChEMBL_1671404 (CHEMBL4021433)	Inhibition of human plasma ACE
50000198	11	ChEMBL_1671408 (CHEMBL4021437)	Inhibition of DPP8 (unknown origin)
50036052	1	ChEBML_157563	Binding affinity to HIV protease
50000198	12	ChEMBL_1671409 (CHEMBL4021438)	Inhibition of DPP9 (unknown origin)
50036053	1	ChEBML_45064	Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)
50000199	1	ChEMBL_1671461 (CHEMBL4021490)	Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric analysis
50000199	2	ChEMBL_1671460 (CHEMBL4021489)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric analysis
50036055	4	ChEBML_33032	Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement.
50000200	1	ChEMBL_1671518 (CHEMBL4021547)	Agonist activity at PR (unknown origin) by luciferase reporter gene assay
50000200	2	ChEMBL_1671470 (CHEMBL4021499)	Displacement of [3H]mibolerone from human AR after 3 hrs
50036055	6	ChEMBL_33035 (CHEMBL648050)	Binding affinity against alpha-2 adrenergic receptor was determined in calf cerebral cortex homogenates using [3H]clonidine as radioligand
50000200	3	ChEMBL_1671471 (CHEMBL4021500)	Agonist activity at human AR expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay
50000200	4	ChEMBL_1671515 (CHEMBL4021544)	Binding affinity to MR (unknown origin)
50000200	5	ChEMBL_1671517 (CHEMBL4021546)	Binding affinity to PR (unknown origin)
50000200	6	ChEMBL_1671516 (CHEMBL4021545)	Binding affinity to GR (unknown origin)
50036056	3	ChEBML_149039	Compound was evaluated for OT receptor affinity by displacement of [3H]OT from binding sites in uterine tissue taken from near-term pregnant rhesus monkey
50000201	1	ChEMBL_1671532 (CHEMBL4021561)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method
50000201	2	ChEMBL_1671533 (CHEMBL4021562)	Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method
50000202	1	ChEMBL_1671539 (CHEMBL4021568)	Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP exchange after 1 hr by TR-FRET assay
50000204	1	ChEMBL_1671576 (CHEMBL4021605)	Inhibition of plasma kallikrein (unknown origin)
50000204	2	ChEMBL_1671575 (CHEMBL4021604)	Inhibition of plasmin (unknown origin)
50000204	3	ChEMBL_1671574 (CHEMBL4021603)	Inhibition of thrombin (unknown origin)
50036058	1	ChEBML_32976	Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioligand
50036058	2	ChEMBL_32975 (CHEMBL644690)	Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor determined in a filtration-based assay using [3H]prazosin as the radioligand.
50000204	4	ChEMBL_1671573 (CHEMBL4021602)	Inhibition of tissue factor/factor 7a activated human coagulation factor-10a using S2765 as substrate pretreated with substrate for 15 mins followed by enzyme and tissue factor/factor 7a addition measured for 60 mins
50036059	2	ChEBML_69323	Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]gabazine antagonist from rat brain preparations.
50000204	5	ChEMBL_1671572 (CHEMBL4021601)	Inhibition of Tissue Kallikrein (unknown origin) using H-D-Val-Leu-Arg-AFC as substrate
50000204	6	ChEMBL_1671569 (CHEMBL4021598)	Inhibition of tissue factor activated recombinant human coagulation factor 7a expressed in hamster BHK cells using S2288 as substrate pretreated for 15 mins with substrate followed by enzyme and tissue factor addition measured for 60 mins
50000204	7	ChEMBL_1671577 (CHEMBL4021606)	Inhibition of TPA (unknown origin)
50000204	8	ChEMBL_1671578 (CHEMBL4021607)	Inhibition of urokinase (unknown origin)
50000204	9	ChEMBL_1671579 (CHEMBL4021608)	Inhibition of activated protein C (unknown origin)
50000205	1	ChEMBL_1671584 (CHEMBL4021613)	Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected Sf9 cells using fluorescein-labeled cAMP as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by IMAP fluorescence polarization assay
50000206	1	ChEMBL_1671634 (CHEMBL4021663)	Transactivation activity at Gal4 fused full length human PPARgamma LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50000206	2	ChEMBL_1671636 (CHEMBL4021665)	Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreated for 4 hrs followed by TNFalpha stimulation after 3 hrs by luciferase reporter gene assay
50000207	1	ChEBML_1671641	Inhibition of PK-tagged human TrkC expressed in human U2OS cells assessed as reduction in NT3-induced EA-tagged SHC1 recruitment pretreated for 1 hr followed by NT3 stimulation after 3 hrs by PathHunter assay
50000207	3	ChEMBL_1671640 (CHEMBL4021669)	Inhibition of PK-tagged human Trkalpha expressed in human U2OS cells assessed as reduction in beta NGF-induced EA-tagged SHC1 recruitment pretreated for 1 hr followed by beta NGF stimulation measured after 3 hrs by PathHunter assay
50000207	4	ChEMBL_1671641 (CHEMBL4021670)	Inhibition of PK-tagged human TrkC expressed in human U2OS cells assessed as reduction in NT3-induced EA-tagged SHC1 recruitment pretreated for 1 hr followed by NT3 stimulation after 3 hrs by PathHunter assay
50000207	2	ChEMBL_1671644 (CHEMBL4021673)	Inhibition of TrkC (unknown origin)
50000210	1	ChEMBL_1671679 (CHEMBL4021708)	Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method
50000210	2	ChEMBL_1671680 (CHEMBL4021709)	Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method
50000210	3	ChEMBL_1671686 (CHEMBL4021715)	Inhibition of 50% inactivated mouse Nav1.7alpha incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method
50036063	1	ChEMBL_30784 (CHEMBL645061)	Binding affinity (Ki) at calf intestinal Adenosine deaminase
50036064	1	ChEBML_209227	In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae.
50036064	2	ChEBML_209701	In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein.
50000210	4	ChEMBL_1671664 (CHEMBL4021693)	Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells measured after 5 to 10 mins post compound washout by PatchXpress automated electrophysiology method
50000210	5	ChEMBL_1671667 (CHEMBL4021696)	Inhibition of NaV1.7 channel in human DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay
50000210	6	ChEMBL_1671668 (CHEMBL4021697)	Inhibition of NaV1.7 channel in mouse DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay
50000210	7	ChEMBL_1671669 (CHEMBL4021698)	Inhibition of NaV1.7 channel in rat DRG neurons assessed as reduction of TTX-sensitive sodium current by whole cell patch clamp assay
50000210	8	ChEMBL_1671682 (CHEMBL4021711)	Inhibition of Nav1.2 (unknown origin)
50000210	9	ChEMBL_1671665 (CHEMBL4021694)	Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells measured after 5 to 10 mins post compound washout by PatchXpress automated electrophysiology method
50000211	1	ChEMBL_1671750 (CHEMBL4021779)	Displacement of [3H]-R1881 from AR in human LNCaP cells preincubated for 30 mins followed by [3H]-R1881 addition measured after 30 mins by microbeta scintillation counter method
50000212	1	ChEMBL_1671765 (CHEMBL4021794)	Inhibition of c-Abl (unknown origin)
50000212	2	ChEMBL_1671751 (CHEMBL4021780)	Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analysis
50000212	3	ChEMBL_1671752 (CHEMBL4021781)	Inhibition of VEGFR2 (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analysis
50036065	1	ChEBML_208007	Inhibition of HSV-1 thymidine kinase
50000212	4	ChEMBL_1671754 (CHEMBL4021783)	Inhibition of MARK1 (unknown origin)
50000212	5	ChEMBL_1671755 (CHEMBL4021784)	Inhibition of DAPK1 (unknown origin)
50000212	6	ChEMBL_1671757 (CHEMBL4021786)	Inhibition of MEKK2 (unknown origin)
50000212	7	ChEMBL_1671758 (CHEMBL4021787)	Inhibition of PKC alpha (unknown origin)
50000212	8	ChEMBL_1671759 (CHEMBL4021788)	Inhibition of DMPK (unknown origin)
50000212	9	ChEMBL_1671761 (CHEMBL4021790)	Inhibition of Wee1 (unknown origin)
50000212	10	ChEMBL_1671762 (CHEMBL4021791)	Inhibition of ALK1 (unknown origin)
50000212	11	ChEMBL_1671764 (CHEMBL4021793)	Inhibition of IRAK (unknown origin)
50036067	2	ChEBML_58197	The compound was tested in vitro for its binding affinity towards Dopamine receptor D2
50036067	3	ChEBML_201877	In vitro binding affinity for the mouse sigma opioid receptor
50000212	12	ChEMBL_1671756 (CHEMBL4021785)	Inhibition of MEK1 (unknown origin)
50000212	13	ChEMBL_1671760 (CHEMBL4021789)	Inhibition of CK1 alpha (unknown origin)
50000212	14	ChEMBL_1671763 (CHEMBL4021792)	Inhibition of MLK4 (unknown origin)
50000212	15	ChEMBL_1671766 (CHEMBL4021795)	Inhibition of JAK2 (unknown origin)
50000214	1	ChEMBL_1671880 (CHEMBL4021909)	Stabilization of human SMN protein expressed in HEK293 cells expressing SMN2 promoter after 24 hrs by luciferase reporter gene assay
50036067	5	ChEBML_60505	The compound was tested in vitro for its binding affinity towards dopamine receptor D1
50000216	1	ChEMBL_1671981 (CHEMBL4022010)	Inhibition of recombinant human CDK2/cyclin A using histone H1 as substrate after 30 mins in presence of ATP by scintillation counting method
50000216	2	ChEMBL_1671986 (CHEMBL4022015)	Inhibition of recombinant full length human GST-fused DYRK1A expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scintillation counting method
50000216	3	ChEMBL_1671985 (CHEMBL4022014)	Inhibition of recombinant mouse GST-fused CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of ATP by scintillation counting method
50000216	4	ChEMBL_1671983 (CHEMBL4022012)	Inhibition of recombinant human CDK9/cyclin T expressed in insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30 mins in presence of ATP by scintillation counting method
50000216	5	ChEMBL_1671982 (CHEMBL4022011)	Inhibition of recombinant human CDK5/p25 expressed in Escherichia coli using histone H1 as substrate after 30 mins in presence of ATP by scintillation counting method
50000217	1	ChEMBL_1672032 (CHEMBL4022061)	Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50000217	2	ChEMBL_1672034 (CHEMBL4022063)	Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50000217	3	ChEMBL_1672036 (CHEMBL4022065)	Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50036067	6	ChEMBL_58197 (CHEMBL670365)	The compound was tested in vitro for its binding affinity towards Dopamine receptor D2
50000217	4	ChEMBL_1672039 (CHEMBL4022068)	Inhibition of His6-tagged PARP12 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50000217	5	ChEMBL_1672040 (CHEMBL4022069)	Inhibition of His6-tagged PARP15 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50036069	1	ChEBML_28352	Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) activity in rat liver microsome
50036070	1	ChEBML_61607	Inhibitory activity against [3H]spiperone in Rat Striatal membrane
50036070	2	ChEMBL_216117 (CHEMBL816039)	Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane
50036070	3	ChEBML_216117	Inhibitory activity against [3H]-SCH- 23390 in Rat Striatal membrane
50036071	1	ChEBML_209975	Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthase
50036073	1	ChEBML_61741	Inhibitory concentration against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2
50036073	3	ChEBML_176509	Displacement of (+)-[3H]-3-PPP from rat cortical sigma site
50036073	4	ChEMBL_61581 (CHEMBL675095)	In vitro inhibitory concentration against radioligand [3H]spiperone binding to rat striatal dopamine receptor D2
50036073	5	ChEMBL_201895 (CHEMBL808186)	Compound was tested in vitro for its ability to displace radioligand (+)-[3H]-3-PPP from rat cortical sigma receptor
50036073	6	ChEBML_1231	Inhibitory concentration against radioligand [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor
50036073	7	ChEMBL_61741 (CHEMBL676048)	Inhibitory concentration against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2
50036074	2	ChEMBL_29279 (CHEMBL640340)	Tested for adenosine A1 receptor agonistic activity by determining concentration needed to prolong the stimulus-QRS interval by 50% of the maximum response
50000217	6	ChEMBL_1672041 (CHEMBL4022070)	Inhibition of His6-tagged PARP16 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50000218	1	ChEMBL_1672047 (CHEMBL4022076)	Displacement of (+)-[3H]-ditolylguanidine from recombinant rat sigma 2 receptor expressed in rat PC12 cell membranes after 90 mins in presence of sigma 1 receptor blocker (+)-SKF-10047 by scintillation counting method
50000218	2	ChEMBL_1672046 (CHEMBL4022075)	Displacement of (+)-[3H]-pentazocine from recombinant human sigma 1 receptor expressed in baculovirus infected Sf9 insect cell membranes after 90 mins by scintillation counting method
50000218	3	ChEMBL_1672044 (CHEMBL4022073)	Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig liver microsomes
50000218	4	ChEMBL_1672043 (CHEMBL4022072)	Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in guinea pig whole brain microsomes
50000218	5	ChEMBL_1672045 (CHEMBL4022074)	Displacement of (+)-[3H]-pentazocine from recombinant guinea pig His6-tagged sigma 1 receptor expressed in Saccharomyces cerevisiae WAO microsomes
50000220	1	ChEMBL_1672055 (CHEMBL4022084)	Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes
50000220	2	ChEMBL_1672056 (CHEMBL4022085)	Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes
50000220	3	ChEMBL_1672057 (CHEMBL4022086)	Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes
50000221	1	ChEMBL_1672106 (CHEMBL4022135)	Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 mins in presence of ATP by fluorescence polarization assay
50000221	2	ChEMBL_1672108 (CHEMBL4022137)	Inhibition of IRAK4 in Lewis rat whole blood assessed as reduction in R848-stimulated TNF alpha production after 4 hrs
50000223	1	ChEMBL_1672131 (CHEMBL4022160)	Inhibition of recombinant C-terminal His-tagged HDAC11 (unknown origin) expressed in baculovirus infected Sf9 cells using Ac-Arg-Gly-Lys(Ac)-AMC as substrate pretreated for 3 hrs followed by substrate addition after 30 mins by fluorometric method
50000223	2	ChEMBL_1672129 (CHEMBL4022158)	Inhibition of recombinant full length human C-terminal FLAG-tagged HDAC11 expressed in baculovirus infected Sf9 cells using Boc-Lys(epsilon-Ac)-AMC as substrate pretreated for 10 mins followed by substrate addition by fluorometric method
50000223	3	ChEMBL_1672138 (CHEMBL4022167)	Inhibition of recombinant C-terminal His-tagged HDAC11 (unknown origin) expressed in baculovirus infected Sf9 cells using Ac-Arg-Gly-Lys(Ac)-AMC as substrate pretreated for 3 hrs followed by substrate addition after 30 mins in presence of 0.2 uM SAHA by fluorometric method
50036078	1	ChEBML_217980	In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membranes
50000225	1	ChEMBL_1672167 (CHEMBL4022196)	Inhibition of recombinant human full length His-tagged AKT2 expressed in baculovirus expression system using ser/thr 6 as substrate after 1 hr by FRET-based Z'-Lyte assay
50036079	1	ChEBML_59437	Compound was evaluated for its ability to displace [3H]mazindol binding from rat striatal membranes
50000225	2	ChEMBL_1672166 (CHEMBL4022195)	Inhibition of recombinant full length human His-tagged AKT1 expressed in baculovirus expression system using ser/thr 6 as substrate after 1 hr by FRET-based Z'-Lyte assay
50000225	3	ChEMBL_1672175 (CHEMBL4022204)	Inhibition of recombinant human His-tagged PKA catalytic domain (1 to 351 residues) expressed in Escherichia coli using Ser/Thr 7 as substrate after 1 hr by by FRET-based Z'-Lyte assay
50000225	4	ChEMBL_1672168 (CHEMBL4022197)	Inhibition of recombinant human full length His-tagged AKT3 expressed in baculovirus expression system using ser/thr 6 as substrate after 1 hr by FRET-based Z'-Lyte assay
50000226	1	ChEBML_1672252	Inhibition of CYP19 in human placental microsome using [1beta-3H]-androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counter method
50000226	2	ChEMBL_1672252 (CHEMBL4022281)	Inhibition of CYP19 in human placental microsome using [1beta-3H]-androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counter method
50000226	3	ChEMBL_1672249 (CHEMBL4022278)	Inhibition of human CYP19 using [1beta-3H]-androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counter method
50000227	1	ChEBML_1672254	Activation of full length human C-terminal FLAG-tagged glucokinase (12 to 465 residues) expressed in Escherichia coli DH10b using glucose as substrate after 60 mins in presence of ATP by kinase-glo luminescence assay
50000228	4	ChEMBL_1672277 (CHEMBL4022306)	Inhibition of recombinant human ERG expressed in HEK293 cells after 9 mins by patch clamp method
50000228	1	ChEBML_1672272	Inhibition of recombinant human HDAC1 using a fluorogenic substrate by fluorescence method
50000228	3	ChEMBL_1672268 (CHEMBL4022297)	Inhibition of recombinant human HDAC1 expressed in Baculovirus insect cell expression system using [3H]-metabolically labeled acetylated histone substrate after 30 mins by scintillation counting
50000228	5	ChEMBL_1672272 (CHEMBL4022301)	Inhibition of recombinant human HDAC1 using a fluorogenic substrate by fluorescence method
50000230	1	ChEBML_1672314	Agonist activity at GAL4 yeast DNA binding domain fused human PPARalpha LBD expressed in HEK293 cells co-expressing TK-MH100x4-Luc after 24 hrs by luciferase reporter gene assay
50000230	2	ChEMBL_1672306 (CHEMBL4022335)	Agonist activity at GAL4N fused human PPARgamma LBD expressed in HEK293 cells co-expressing TK-MH100x4-Luc after 24 hrs by luciferase reporter gene assay
50000230	3	ChEBML_1672308	Agonist activity at GAL4N fused human PPARdelta LBD expressed in HEK293 cells co-expressing TK-MH100x4-Luc after 24 hrs by luciferase reporter gene assay
50000230	4	ChEBML_1672310	Agonist activity at 3' GAL4 DNA binding domain fused mouse PPARalpha LBD expressed in U-2 OS cells after 40 hrs by luciferase reporter gene assay
50000230	5	ChEBML_1672311	Agonist activity at 3' GAL4 DNA binding domain fused mouse PPARgamma LBD expressed in U-2 OS cells after 40 hrs by luciferase reporter gene assay
50000230	6	ChEMBL_1672313 (CHEMBL4022342)	Agonist activity at GAL4 fused human PPARgamma LBD (174 to 475 residues) expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay
50000230	7	ChEMBL_1672314 (CHEMBL4022343)	Agonist activity at GAL4 yeast DNA binding domain fused human PPARalpha LBD expressed in HEK293 cells co-expressing TK-MH100x4-Luc after 24 hrs by luciferase reporter gene assay
50000230	8	ChEMBL_1672316 (CHEMBL4022345)	Agonist activity at GAL4 yeast DNA binding domain fused human PPARdelta LBD (128 end residues) expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50000230	9	ChEMBL_1672312 (CHEMBL4022341)	Agonist activity at GAL4 fused human PPARalpha LBD (174 to 475 residues) expressed in HEK293T cells after 18 hrs by luciferase reporter gene assay
50000230	10	ChEBML_1672306	Agonist activity at GAL4N fused human PPARgamma LBD expressed in HEK293 cells co-expressing TK-MH100x4-Luc after 24 hrs by luciferase reporter gene assay
50000232	1	ChEBML_1672328	Inhibition of KDM5A (unknown origin)
50000232	2	ChEBML_1672327	Inhibition of KDM3B (unknown origin)
50000232	3	ChEBML_1672326	Inhibition of KDM2B (unknown origin)
50000232	4	ChEBML_1672325	Inhibition of KDM4D (unknown origin) using biotinylated H3 derived peptide as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by AlphaLISA method
50000234	1	ChEBML_1672338	Inhibition of BACE1 (unknown origin) using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by fluorescence spectroscopy
50000235	2	ChEMBL_1672381 (CHEMBL4022410)	Inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using Histone H3(1 to 21)K4(Me1) biotin peptide as substrate incubated for 30 mins by TR-FRET assay
50000235	1	ChEMBL_1672382 (CHEMBL4022411)	Reversible inhibition of human recombinant N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli by SPR analysis
50000235	6	ChEMBL_1672388 (CHEMBL4022417)	Inhibition of LSD1 in human THP1 cells assessed as upregulation of CD86 levels by ELISA
50036085	5	ChEMBL_1860 (CHEMBL616831)	Binding affinity against 5-hydroxytryptamine 1C receptor
50000235	7	ChEMBL_1672389 (CHEMBL4022418)	Inhibition of human ERG by patch clamp assay
50000235	3	ChEBML_1672395	Inhibition of full length human LSD1 expressed in Escherichia coli using H3K4me1-biotin labeled peptide as substrate after 1 hr by TR-FRET assay
50000235	5	ChEMBL_1672395 (CHEMBL4022424)	Inhibition of full length human LSD1 expressed in Escherichia coli using H3K4me1-biotin labeled peptide as substrate after 1 hr by TR-FRET assay
50036087	4	ChEMBL_29115 (CHEMBL638727)	Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA in bovine brain
50036087	5	ChEMBL_28834 (CHEMBL649100)	Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA
50036087	6	ChEBML_29114	Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA in bovine brain cortical membranes
50036087	7	ChEMBL_29307 (CHEMBL640368)	Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA antagonism of adenylate cyclase inhibition in rat adipocytes
50000236	4	ChEMBL_1672428 (CHEMBL4022457)	Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by Lineweaver-Burk plot/Dixon plot analysis
50000236	1	ChEMBL_1672427 (CHEMBL4022456)	Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by FRET assay
50036090	3	ChEBML_1808	The compound was tested for its binding affinity towards 5-hydroxytryptamine 1B receptor by displacing [3H]serotonin radioligand in rat cerebral cortex
50036090	4	ChEMBL_63061 (CHEMBL673628)	Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum
50000236	2	ChEBML_1672428	Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by Lineweaver-Burk plot/Dixon plot analysis
50000236	3	ChEMBL_1672432 (CHEMBL4022461)	Competitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid as substrate after 60 mins by Lineweaver-Burk plot/Dixon plot analysis
50036090	5	ChEBML_1463	Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus
50000237	1	ChEBML_1672445	Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by spectrophotometric analysis
50036090	6	ChEMBL_1464 (CHEMBL616587)	The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus
50000240	1	ChEBML_1672475	Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins
50000240	3	ChEMBL_1672475 (CHEMBL4022504)	Inhibition of Vipera russelii sPLA2 pre-incubated for 5 mins before DMPC substrate addition and measured after 45 mins
50000240	2	ChEMBL_1672476 (CHEMBL4022505)	Inhibition of Vipera russelii venom sPLA2-induced hemolytic activity in human erythrocytes assessed as reduction hemoglobin release in presence of egg yolk preincubated for 5 mins followed by erythrocyte addition by spectrophotometric analysis
50000241	1	ChEBML_1672495	Inhibition of MMP2 (unknown origin)
50000241	2	ChEBML_1672496	Inhibition of MMP3 (unknown origin)
50000241	3	ChEBML_1672497	Inhibition of MMP7 (unknown origin)
50000241	4	ChEBML_1672499	Inhibition of MMP13 (unknown origin)
50000241	5	ChEBML_1672500	Inhibition of MMP14 (unknown origin)
50000241	6	ChEBML_1672502	Inhibition of catalytic domain TACE (unknown origin) by FRET assay
50036090	10	ChEMBL_63060 (CHEMBL673627)	The compound was tested for its binding affinity towards Dopamine receptor D2 by displacing [3H]5-HT radioligand in rat cerebral cortex
50036090	11	ChEBML_63061	Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum
50036091	1	ChEBML_63659	In vitro inhibitory activity against human leukocyte elastase
50036093	1	ChEBML_1861	Compound was tested for binding affinity towards 5-HT1C (5-HT1C) receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand
50000241	7	ChEBML_1672494	Inhibition of MMP1 (unknown origin)
50000241	8	ChEBML_1672498	Inhibition of MMP9 (unknown origin)
50000241	9	ChEBML_1672501	Inhibition of ADAM10 (unknown origin)
50036093	4	ChEMBL_1862 (CHEMBL616833)	Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand
50000243	3	ChEMBL_1672555 (CHEMBL4022584)	Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method
50000243	4	ChEMBL_1672554 (CHEMBL4022583)	Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50000243	1	ChEBML_1672554	Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50036093	6	ChEMBL_1864 (CHEMBL829595)	Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand
50000243	2	ChEBML_1672555	Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33gammaP]-ATP after 120 mins by filter binding method
50036097	1	ChEBML_157456	Inhibition of prolyl 4-hydroxylase
50000246	1	ChEMBL_1672596 (CHEMBL4022625)	Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced current response by whole cell patch clamp method
50000246	2	ChEMBL_1672597 (CHEMBL4022626)	Inhibition of TRPA1 (unknown origin)
50000246	3	ChEMBL_1672582 (CHEMBL4022611)	Inhibition of human TRPA1 expressed in HEK293 cells assessed as decrease in AITC-induced calcium influx preincubated for 6 mins followed by AITC addition measured for 1 min by Fluo-4 dye-based assay
50000246	4	ChEMBL_1672581 (CHEMBL4022610)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as induction of calcium influx at 30 uM after 6 mins by Fluo-4 dye-based assay
50036099	1	ChEBML_123740	Inhibitory constant against beef liver mitochondrial monoamine oxidase-B (MAO-B)
50036100	1	ChEMBL_35343 (CHEMBL646061)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase B using L-lysine-beta napthylamide as substrate
50036100	2	ChEMBL_35342 (CHEMBL646060)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase B (AP-B) using L-lysine-beta napthylamide as substrate
50036100	3	ChEMBL_35369 (CHEMBL647950)	Inhibitory potency against purified membrane bound rat brain Aminopeptidase M (AP-M) using [3H]Leu-enkephalin as substrate
50036100	4	ChEMBL_35368 (CHEMBL647949)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate
50036100	5	ChEMBL_35367 (CHEMBL647948)	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate
50036100	6	ChEBML_35366	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M (AP-M) using [3H]Leu-enkephalin as substrate
50036100	8	ChEMBL_35346 (CHEMBL643875)	Inhibitory potency against purified membrane bound rat brain Aminopeptidase B (AP-B) using L-lysine-beta napthylamide as substrate
50036100	10	ChEBML_35343	Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase B using L-lysine-beta napthylamide as substrate
50036100	12	ChEMBL_35347 (CHEMBL647930)	Inhibitory potency against purified membrane bound rat brain Aminopeptidase B using L-lysine-beta napthylamide as substrate
50036100	13	ChEMBL_35370 (CHEMBL647951)	Inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate
50000248	1	ChEMBL_1672603 (CHEMBL4022632)	Inhibition of GST-Xa-tagged human AAK1 expressed in bacterial system using fluoresceinated peptide (5 -FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 and ATP incubated for 3 hrs
50000250	1	ChEMBL_1672608 (CHEMBL4022637)	Inhibition of JAK1 in human NCI-H1975 cells assessed as reduction in STAT3 phosphorylation incubated for 2 hrs
50000250	2	ChEMBL_1672607 (CHEMBL4022636)	Inhibition of N-terminal GST fused recombinant JAK3 (781 to 1124 amino acids) (unknown origin) expressed in insect cells using ATP and peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2
50000250	3	ChEMBL_1672605 (CHEMBL4022634)	Inhibition of N-terminal GST fused recombinant JAK2 (831 to 1132 amino acids) (unknown origin) expressed in insect cells using ATP and peptide substrate (5FAM-GEEPLYWSFPAKKK-NH2
50000250	4	ChEMBL_1672604 (CHEMBL4022633)	Inhibition of N-terminal GST fused human recombinant JAK1 (866 to 1154 amino acids) expressed in insect cells using ATP and peptide substrate (FITC-C6-KKHTDDGYMPMSPGVA-NH2
50000251	1	ChEMBL_1672609 (CHEMBL4022638)	Binding affinity to wild type JAK2 JH2 domain (unknown origin) by competitive fluorescence polarization assay
50036102	6	ChEBML_217935	KB for inhibition of adenylate cyclase stimulation in human platelet membranes
50000252	1	ChEMBL_1672615 (CHEMBL4022644)	Binding affinity to JAK2 JH1 domain (unknown origin)
50000252	2	ChEMBL_1672614 (CHEMBL4022643)	Binding affinity to N-terminal TEV-cleavable hexa-histidine tagged human JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus-infected Sf9 cells by ITC assay
50036102	9	ChEMBL_29001 (CHEMBL643476)	Binding affinity against adenosine A1 receptor using (R)-N6-(2-[3H]-phenyl-1-methylethyladenosine in rat cortical membranes
50000252	3	ChEMBL_1672613 (CHEMBL4022642)	Binding affinity to JAK1 JH2 domain (unknown origin)
50000253	1	ChEMBL_1672653 (CHEMBL4022682)	Inhibition of GSK3beta (unknown origin)
50000253	2	ChEMBL_1672728 (CHEMBL4022757)	Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method
50000253	3	ChEMBL_1672668 (CHEMBL4022697)	Inhibition of human IGF1 receptor tyrosine kinase using biotin-GGGGKKKSPGEYVNIEFG-amide peptide substrate after 1 hr by scintillation counting method
50000253	4	ChEMBL_1672669 (CHEMBL4022698)	Inhibition of human insulin receptor tyrosine kinase after 1 hr by scintillation counting method
50000253	5	ChEMBL_1672671 (CHEMBL4022700)	Inhibition of human PDK1 using unactivated AKT substrate in presence of COPC, DOPS and PIP3 activators after 1 hr by scintillation counting method
50000253	6	ChEMBL_1672672 (CHEMBL4022701)	Inhibition of human CHK1 using biotin-CDC25 peptide substrate after 1 hr by scintillation counting method
50000253	7	ChEMBL_1672673 (CHEMBL4022702)	Inhibition of human CK1epsilon using biotin peptide substrate after 1 hr by scintillation counting method
50000253	8	ChEMBL_1672657 (CHEMBL4022686)	Inhibition of human GSK3alpha using biotin-CREB peptide substrate after 1 hr by scintillation counting method
50000253	9	ChEMBL_1672658 (CHEMBL4022687)	Inhibition of human CDC2 using biotin histone H1 peptide substrate after 1 hr by scintillation counting method
50036102	10	ChEMBL_29004 (CHEMBL643478)	Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes
50000253	10	ChEMBL_1672659 (CHEMBL4022688)	Inhibition of human ERK2 using myelin basic protein substrate after 1 hr by scintillation counting method
50000253	11	ChEMBL_1672660 (CHEMBL4022689)	Inhibition of human PKCzeta using biotin-PKC-86 peptide substrate after 30 mins in the presence of phosphatidylserine and diacylglycerol activators by scintillation counting
50036102	11	ChEMBL_28994 (CHEMBL643469)	Binding affinity against Adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes
50000253	12	ChEMBL_1672661 (CHEMBL4022690)	Inhibition of human AKT1/PKB using phospho-AKT peptide substrate after 1 hr by scintillation counting method
50000253	13	ChEMBL_1672664 (CHEMBL4022693)	Inhibition of human Tie2 using biotin-GGGGAPDLYKDFLT peptide substrate after 1 hr by scintillation counting method
50000253	14	ChEMBL_1672665 (CHEMBL4022694)	Inhibition of human FLT1 using KDRY1175 [B91616] biotin-GGGGQDGKDYIVLPI-NH2 peptide substrate after 1 hr by scintillation counting method
50000253	15	ChEMBL_1672666 (CHEMBL4022695)	Inhibition of human KDR using KDRY1175 [B91616] biotin-GGGGQDGKDYIVLPI-NH2 peptide substrate after 1 hr by scintillation counting method
50000253	16	ChEMBL_1672667 (CHEMBL4022696)	Inhibition of human bFGF receptor tyrosine kinase using KDRY1175 [B91616] biotin-GGGGQDGKDYIVLPI-NH2 peptide substrate after 1 hr by scintillation counting method
50000255	1	ChEMBL_1672799 (CHEMBL4022828)	Inhibition of human AICARFT
50000255	2	ChEMBL_1672744 (CHEMBL4022773)	Inhibition of human full length N-terminal His-tagged AICARFT expressed in Escherichia coli BL21 (DE3) using ZMP/10-formyltetrahydrofolate as substrate assessed as decrease in IMP levels after 1 hr by mass spectrometric method
50000255	3	ChEMBL_1672745 (CHEMBL4022774)	Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method
50000255	4	ChEMBL_1672757 (CHEMBL4022786)	Inhibition of AICARFT in human NCI-H460 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS method
50000255	5	ChEMBL_1672758 (CHEMBL4022787)	Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using low folate media after 16 hrs by LC-MS method
50000255	6	ChEMBL_1672776 (CHEMBL4022805)	Inhibition of thymidylate synthase (unknown origin) using dUMP/5,10-methylene THF as substrate after 1 hr by mass spectrometric method
50000255	7	ChEMBL_1672777 (CHEMBL4022806)	Inhibition of SHMT1 (unknown origin) using serine/THF as substrate after 50 mins by HPLC method
50000255	8	ChEMBL_1672778 (CHEMBL4022807)	Inhibition of MTHFD1 (unknown origin) using NADP/5,10-methylene THF as substrate after 30 mins by HPLC method
50000255	9	ChEMBL_1672780 (CHEMBL4022809)	Inhibition of MTHFD2L (unknown origin) using NAD/5,10-methylene THF as substrate after 2 hrs by HPLC method
50000255	10	ChEMBL_1672779 (CHEMBL4022808)	Inhibition of MTHFD2 (unknown origin) using NAD/5,10-methylene THF as substrate after 30 mins by HPLC method
50000255	11	ChEMBL_1672759 (CHEMBL4022788)	Inhibition of AICARFT in human MDA-MB-231 cells assessed as increase in ZMP levels using regular folate media after 16 hrs by LC-MS method
50000256	1	ChEMBL_1672800 (CHEMBL4022829)	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scintillation spectrometry
50036102	17	ChEBML_29003	Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine in rat brain membranes
50000256	2	ChEMBL_1672805 (CHEMBL4022834)	Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS binding preincubated for 1 hr followed by CP55940 addition and subsequent incubation with [35S]GTPgammaS measured after 30 mins by scintillation spectrometry
50036103	1	ChEMBL_37816 (CHEMBL651191)	Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adrenergic receptor of bovine lung
50036103	3	ChEBML_37542	Compound was evaluated for beta adrenergic binding affinity towards beta-1 receptor of rat brain
50036103	4	ChEBML_37817	Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung
50036103	6	ChEMBL_37542 (CHEMBL647624)	Compound was evaluated for beta adrenergic binding affinity towards beta-1 receptor of rat brain
50036105	1	ChEMBL_62419 (CHEMBL674823)	Ability to displace [3H]raclopride from dopamine receptor D2 in rat striatal homogenates.
50036105	2	ChEBML_575	Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenates of bovine hippocampus.
50036105	3	ChEMBL_62421 (CHEMBL674825)	Compound was evaluated for its ability to displace [3H]raclopride from Dopamine receptor D2 in rat striatal homogenates
50036106	1	ChEBML_28737	Inhibition of human acetylcholinesterase-I
50036106	2	ChEBML_139893	Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cortex
50036106	4	ChEBML_28926	Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.
50036106	6	ChEMBL_41721 (CHEMBL659267)	The compound was evaluated for the inhibition human of Butyrylcholinesterase I
50036106	8	ChEBML_41716	The compound was evaluated for the inhibition human of Butyrylcholinesterase
50036106	9	ChEMBL_139893 (CHEMBL744480)	Compound was evaluated for the competitive inhibition of [3H]methylscopolamine binding to Muscarinic acetylcholine receptor M2 of mouse cerebral cortex
50036106	10	ChEMBL_28634 (CHEMBL644790)	The compound was evaluated for the inhibition of human Acetylcholinesterase
50000257	1	ChEMBL_1672825 (CHEMBL4022854)	Inhibition of wild type C57BL/6 mouse small intestinal sucrase/isomaltase using sucrose as substrate after 30 mins
50000257	2	ChEMBL_1672828 (CHEMBL4022857)	Inhibition of GBA1/GBA2 derived from human HL60 cells using 4-MU-Glc as substrate after 30 mins by fluorescence assay
50000257	3	ChEMBL_1672829 (CHEMBL4022858)	Inhibition of recombinant human GBA1
50000257	4	ChEMBL_1672837 (CHEMBL4022866)	Inhibition of rat liver lysosomal alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate by colorimetric method
50000257	5	ChEMBL_1672826 (CHEMBL4022855)	Inhibition of wild type C57BL/6 mouse small intestinal lactase using lactose as substrate after 30 mins
50000257	6	ChEMBL_1672830 (CHEMBL4022859)	Inhibition of recombinant human GAA by UV-visible spectrophotometric method
50000258	1	ChEMBL_1672839 (CHEMBL4022868)	Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method
50000258	2	ChEMBL_1672838 (CHEMBL4022867)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method
50000259	1	ChEMBL_1672912 (CHEMBL4022941)	Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N""-triacetylchitotrioside as substrate after 60 mins by fluorescence assay
50000259	2	ChEMBL_1672913 (CHEMBL4022942)	Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N""-triacetylchitotrioside as substrate after 60 mins by fluorescence assay
50000259	3	ChEMBL_1672914 (CHEMBL4022943)	Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by Lineweaver-Burk plot analysis
50000259	4	ChEMBL_1672916 (CHEMBL4022945)	Inhibition of human recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N""-triacetylchitotrioside as substrate after 60 mins by Lineweaver-Burk plot analysis
50000259	5	ChEMBL_1672917 (CHEMBL4022946)	Inhibition of mouse recombinant full length C-terminal His-tagged chitotriosidase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N',N""-triacetylchitotrioside as substrate after 60 mins by Lineweaver-Burk plot analysis
50000259	6	ChEMBL_1672910 (CHEMBL4022939)	Inhibition of human recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by fluorescence assay
50000259	7	ChEMBL_1672911 (CHEMBL4022940)	Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by fluorescence assay
50000259	8	ChEMBL_1672909 (CHEMBL4022938)	Inhibition of [3H]-astemizole binding to human ERG after 2 hrs by scintillation counting method
50000259	9	ChEMBL_1672915 (CHEMBL4022944)	Inhibition of mouse recombinant full length C-terminal His-tagged acidic mammalian chitinase expressed in CHO-K1 cells using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by Lineweaver-Burk plot analysis
50000261	1	ChEMBL_1672948 (CHEMBL4022977)	Inhibition of recombinant human TYK2 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay
50000261	2	ChEMBL_1672941 (CHEMBL4022970)	Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay
50000261	3	ChEMBL_1672944 (CHEMBL4022973)	Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP addition measured after 15 mins by flow cytometric analysis
50000261	4	ChEMBL_1672955 (CHEMBL4022984)	Inhibition of recombinant human JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 4 uM ATP by mobility shift assay
50000261	5	ChEMBL_1672957 (CHEMBL4022986)	Inhibition of recombinant human CB1 receptor expressed in CHO cells
50000261	6	ChEMBL_1672958 (CHEMBL4022987)	Inhibition of recombinant human VEGFR2 expressed in Sf9 cells
50000261	7	ChEMBL_1672978 (CHEMBL4023007)	Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IFNgamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFNgamma addition measured after 15 mins by flow cytometric analysis
50000261	8	ChEMBL_1672980 (CHEMBL4023009)	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IL-10 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-10 addition measured after 15 mins by flow cytometric analysis
50000261	9	ChEMBL_1672981 (CHEMBL4023010)	Inhibition of JAK1/JAK3 in CD8+ human whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition measured after 15 mins by flow cytometric analysis
50000261	10	ChEMBL_1672982 (CHEMBL4023011)	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-21 addition measured after 15 mins by flow cytometric analysis
50000261	11	ChEMBL_1672984 (CHEMBL4023013)	Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubated for 45 mins followed by IL-12 addition measured after 15 mins by flow cytometric analysis
50000261	12	ChEMBL_1672985 (CHEMBL4023014)	Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by flow cytometric analysis
50000261	13	ChEMBL_1672943 (CHEMBL4022972)	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFNalpha addition measured after 15 mins by flow cytometric analysis
50000261	14	ChEMBL_1672940 (CHEMBL4022969)	Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay
50036110	2	ChEBML_144637	Inhibitory potency against neutral endopeptidase
50000261	15	ChEMBL_1672947 (CHEMBL4022976)	Inhibition of recombinant human JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay
50036112	2	ChEMBL_28304 (CHEMBL645003)	In vitro inhibitory activity against human Acetylcholinesterase
50036115	3	ChEBML_58795	The ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striata
50036115	5	ChEBML_62245	Binding affinity to dopamine receptor D2
50036115	8	ChEBML_33282	The ability to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat whole brain
50036115	10	ChEMBL_62245 (CHEMBL671577)	Binding affinity to dopamine receptor D2
50036116	1	ChEBML_63876	Compound was evaluated for the binding affinity to Endothelin B receptor in the porcine cerebellum.
50036116	2	ChEBML_64210	Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.
50036116	5	ChEBML_65799	Compound was evaluated for the binding affinity towards Endothelin A receptor in porcine aortic membranes
50036116	6	ChEMBL_65798 (CHEMBL677979)	Compound was evaluated for the binding affinity to Endothelin A receptor in the porcine aortic smooth muscle
50000261	16	ChEMBL_1672959 (CHEMBL4022988)	Inhibition of MAOA (unknown origin)
50000261	17	ChEMBL_1672979 (CHEMBL4023008)	Inhibition of JAK1/JAK2/TYK2 in CD14+ human whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by flow cytometric analysis
50000261	18	ChEMBL_1672983 (CHEMBL4023012)	Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 addition measured after 15 mins by flow cytometric analysis
50036118	1	ChEBML_68543	In vitro inhibition of mouse liver Folyl-polyglutamate synthase
50036118	2	ChEBML_209481	In vitro inhibition of human thymidylate synthase (TS)
50036118	4	ChEMBL_70042 (CHEMBL681442)	In vitro inhibition of mouse GAR transformylase
50036118	5	ChEBML_73021	In vitro inhibition of glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells
50036118	6	ChEMBL_73021 (CHEMBL682623)	In vitro inhibition of glycinamide ribonucleotide formyltransferase from L1210 murine leukemia cells
50000262	1	ChEBML_1672987	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues)
50000262	5	ChEMBL_1672987 (CHEMBL4023016)	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues)
50036120	2	ChEMBL_45341 (CHEMBL661879)	Compound was tested for the enzyme inhibitory activity against Cathepsin G
50036120	3	ChEMBL_63648 (CHEMBL675358)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 65 uM concentration
50036120	4	ChEMBL_96634 (CHEMBL705706)	HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot
50036120	7	ChEBML_45341	Compound was tested for the enzyme inhibitory activity against Cathepsin G
50036120	8	ChEMBL_63647 (CHEMBL675357)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 62 uM concentration
50036120	9	ChEMBL_63641 (CHEMBL675352)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 27 uM concentration
50036120	10	ChEMBL_96627 (CHEMBL705700)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase
50036120	11	ChEMBL_63646 (CHEMBL675356)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 55 uM concentration
50036120	13	ChEMBL_63645 (CHEMBL873592)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 53 uM concentration
50036120	14	ChEMBL_63644 (CHEMBL675355)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 52 uM concentration
50036120	15	ChEMBL_63643 (CHEMBL675354)	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 30 uM concentration
50000262	2	ChEMBL_1672997 (CHEMBL4023026)	Inhibition of full length recombinant human ATM
50000262	4	ChEMBL_1672998 (CHEMBL4023027)	Inhibition of full length recombinant human DNA-PK
50000262	3	ChEMBL_1672996 (CHEMBL4023025)	Inhibition of full length recombinant human mTOR/FKBP12
50000263	1	ChEMBL_1673157 (CHEMBL4023186)	Inhibition of MAO-B (unknown origin)
50000263	2	ChEMBL_1673159 (CHEMBL4023188)	Agonist activity at PPARgamma (unknown origin)
50000263	3	ChEMBL_1673100 (CHEMBL4023129)	Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay
50000264	1	ChEMBL_1673166 (CHEMBL4023195)	Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL after 1.5 hrs by fluorescence polarization assay
50000264	2	ChEMBL_1673174 (CHEMBL4023203)	Inhibition of FITC-Bak-BH3 binding to Bcl-XL (unknown origin) after 1.5 hrs by fluorescence polarization assay
50000264	3	ChEMBL_1673175 (CHEMBL4023204)	Inhibition of FITC-Bak-BH3 binding to Bcl2 (unknown origin) after 1.5 hrs by fluorescence polarization assay
50000264	4	ChEMBL_1673169 (CHEMBL4023198)	Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL after 3 hrs by TR-FRET assay
50000264	5	ChEMBL_1673170 (CHEMBL4023199)	Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL after 3 hrs in presence of 1% FBS by TR-FRET assay
50000264	6	ChEMBL_1673167 (CHEMBL4023196)	Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL after 1.5 hrs in presence of 1% FBS by fluorescence polarization assay
50000267	1	ChEMBL_1673191 (CHEMBL4023220)	Agonist activity at human mGlu2 receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50036125	4	ChEBML_48601	Affinity of compound on binding of [3H]pCCK-8 to the cholecystokinin type B receptor in rat brain membrane
50036126	1	ChEBML_64345	Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate (value corresponds to <25% inhibition when assayed at a 100 uM screening concentration)
50036126	2	ChEMBL_64345 (CHEMBL676076)	Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate (value corresponds to <25% inhibition when assayed at a 100 uM screening concentration)
50000267	2	ChEMBL_1673195 (CHEMBL4023224)	Agonist activity at human mGlu3 receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50000267	3	ChEMBL_1673205 (CHEMBL4023234)	Agonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	4	ChEMBL_1673209 (CHEMBL4023238)	Antagonist activity at recombinant human mGlu4 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as inhibition of glutamate induced increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	5	ChEMBL_1673211 (CHEMBL4023240)	Agonist activity at recombinant human mGlu5 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	6	ChEMBL_1673213 (CHEMBL4023242)	Agonist activity at human mGlu6 receptor expressed in hamster AV12 cells co-expressing rat EAAT1 assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50000267	7	ChEMBL_1673215 (CHEMBL4023244)	Agonist activity at recombinant human mGlu7 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	8	ChEMBL_1673217 (CHEMBL4023246)	Agonist activity at recombinant human mGlu8 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	9	ChEMBL_1673218 (CHEMBL4023247)	Antagonist activity at recombinant human mGlu8 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as inhibition of glutamate induced increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	10	ChEMBL_1673220 (CHEMBL4023249)	Displacement of [3H]-LY459477 from mGlu2/3 receptor in Sprague-Dawley rat forebrain primary cortical membranes after 90 mins by liquid scintillation counting
50000267	11	ChEMBL_1673221 (CHEMBL4023250)	Agonist activity at mGlu2/3 receptor in Sprague-Dawley rat forebrain assessed as inhibition of spontaneous Ca2+ oscillations in cortical neurons after 300 secs by FLIPR assay
50000267	12	ChEMBL_1673188 (CHEMBL4023217)	Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in HEK cell membranes after 90 mins by liquid scintillation counting
50000267	13	ChEMBL_1673193 (CHEMBL4023222)	Antagonist activity at human mGlu2 receptor expressed in HEK cells assessed as reversal of DCG-4 inhibited forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50000267	14	ChEMBL_1673189 (CHEMBL4023218)	Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in HEK cell membranes after 90 mins by liquid scintillation counting
50000267	15	ChEMBL_1673197 (CHEMBL4023226)	Antagonist activity at human mGlu3 receptor expressed in HEK cells assessed as reversal of DCG-4 inhibited forskolin-stimulated cAMP formation after 20 mins by HTRF assay
50000267	16	ChEMBL_1673201 (CHEMBL4023230)	Agonist activity at recombinant human mGlu1 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	17	ChEMBL_1673202 (CHEMBL4023231)	Antagonist activity at recombinant human mGlu1 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as inhibition of glutamate induced increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	18	ChEMBL_1673208 (CHEMBL4023237)	Agonist activity at recombinant human mGlu4 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	19	ChEMBL_1673212 (CHEMBL4023241)	Antagonist activity at recombinant human mGlu5 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as inhibition of glutamate induced increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	20	ChEMBL_1673216 (CHEMBL4023245)	Antagonist activity at recombinant human mGlu7 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as inhibition of glutamate induced increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000267	21	ChEMBL_1673203 (CHEMBL4023232)	Agonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing rat EAAT1/Galpha15 assessed as induction of increase in Ca2+ flux after 2.5 mins by Fluo-3 AM dye-based FLIPR assay
50000270	1	ChEMBL_1673527 (CHEMBL4023556)	Inhibition of human BChE using BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's method
50000270	2	ChEMBL_1673538 (CHEMBL4023567)	Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method
50000270	3	ChEMBL_1673543 (CHEMBL4023572)	Displacement of [3H]-CP55950 from human CB1 receptor expressed in CHO cell membranes after 3 hrs by scintillation counting method
50000270	4	ChEMBL_1673570 (CHEMBL4023599)	Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 90 mins
50000270	5	ChEMBL_1673544 (CHEMBL4023573)	Inhibition of equine BChE using BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's method
50000270	6	ChEMBL_1673545 (CHEMBL4023574)	Displacement of [3H]-CP55950 from human CB1 receptor expressed in CHO cell membranes after 90 mins
50000270	7	ChEMBL_1673553 (CHEMBL4023582)	Displacement of [3H]-Diprenorphine from human mu opioid receptor expressed in HEK293-TSA cell membranes after 4 hrs by scintillation counting method
50000270	8	ChEMBL_1673537 (CHEMBL4023566)	Inhibition of electric eel AChE using ATC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's method
50036133	1	ChEBML_212978	Apparent binding constant against Human urokinase
50036133	2	ChEBML_213024	Apparent binding constant against porcine trypsin
50036133	3	ChEBML_212364	Apparent binding constant against bovine trypsin
50036134	1	ChEMBL_141787 (CHEMBL745325)	Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	2	ChEMBL_141636 (CHEMBL749538)	Tested for the binding affinity against rat neurokinin-1 (NK-1) receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand
50036134	3	ChEMBL_141659 (CHEMBL749782)	Tested for binding affinity against rat NK-1 receptor
50036134	4	ChEMBL_141643 (CHEMBL749544)	Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	5	ChEBML_141643	Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	6	ChEMBL_141784 (CHEMBL745322)	Tested for binding affinity against human NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	9	ChEMBL_141645 (CHEMBL749546)	Tested for the binding affinity against rat neurokinin-2 (NK-2) receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	10	ChEBML_141659	Tested for binding affinity against rat NK-1 receptor
50036134	11	ChEMBL_141634 (CHEMBL749536)	Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand
50036134	14	ChEBML_141787	Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand
50036134	15	ChEMBL_144649 (CHEMBL752663)	Tested for binding affinity against rat NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand
50000270	9	ChEMBL_1673532 (CHEMBL4023561)	Inhibition of human erythrocyte AChE using ATC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's method
50000271	1	ChEMBL_1673574 (CHEMBL4023603)	Transactivation of human GAL4-fused PPARdelta LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000271	2	ChEMBL_1673576 (CHEMBL4023605)	Transactivation of human GAL4-fused PPARgamma LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000271	3	ChEMBL_1673634 (CHEMBL4023663)	Displacement of N-terminal biotin-labeled SMRT-ID1 (2339 to 2363 residues) from recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli by TR-FRET assay
50000271	4	ChEMBL_1673635 (CHEMBL4023664)	Displacement of N-terminal biotin-labeled NCOR-ID1 (2253 to 2277 residues) from recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli by TR-FRET assay
50000271	5	ChEMBL_1673636 (CHEMBL4023665)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled LCOR (39 to 63 residues) co-activator recruitment by TR-FRET assay
50000271	6	ChEMBL_1673637 (CHEMBL4023666)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled NCoA3 (607 to 631 residues) co-activator recruitment by TR-FRET assay
50000271	7	ChEMBL_1673638 (CHEMBL4023667)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled NCoA3 (671 to 695 residues) co-activator recruitment by TR-FRET assay
50000271	8	ChEMBL_1673639 (CHEMBL4023668)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled PGC1alpha (196 to 221 residues) co-activator recruitment by TR-FRET assay
50000271	9	ChEMBL_1673640 (CHEMBL4023669)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled PNRC1 (302 to 327 residues) co-activator recruitment by TR-FRET assay
50000271	10	ChEMBL_1673641 (CHEMBL4023670)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled RIP140 (922 to 946 residues) co-activator recruitment by TR-FRET assay
50000271	11	ChEMBL_1673642 (CHEMBL4023671)	Transactivation of recombinant GST-tagged PPARgamma (unknown origin) expressed in Escherichia coli assessed as N-terminal biotin-labeled SRC1 (619 to 643 residues) co-activator recruitment by TR-FRET assay
50000271	12	ChEMBL_1673605 (CHEMBL4023634)	Transactivation of mouse GAL4-fused PPARalpha LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000271	13	ChEMBL_1673607 (CHEMBL4023636)	Transactivation of mouse GAL4-fused PPARdelta LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000271	14	ChEMBL_1673609 (CHEMBL4023638)	Transactivation of mouse GAL4-fused PPARgamma LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000271	15	ChEMBL_1673572 (CHEMBL4023601)	Transactivation of human GAL4-fused PPARalpha LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incubation by luciferase reporter gene assay
50000272	1	ChEMBL_1673668 (CHEMBL4023697)	Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expressed in baculovirus-infected insect cells
50000272	2	ChEMBL_1673666 (CHEMBL4023695)	Inhibition of human ERG expressed in HEK293 cells incubated for 3 to 5 mins by automated parallel patch clamp assay
50000272	3	ChEMBL_1673695 (CHEMBL4023724)	Inhibition of CYP1A2 (unknown origin)
50000272	4	ChEMBL_1673696 (CHEMBL4023725)	Inhibition of CYP2C19 (unknown origin)
50000272	5	ChEMBL_1673698 (CHEMBL4023727)	Inhibition of CYP2C9 (unknown origin)
50036138	2	ChEBML_71837	Inhibition of bovine glutamate dehydrogenase (GDH) enzyme by competitive inhibition
50000272	6	ChEMBL_1673669 (CHEMBL4023698)	Inhibition of BTK in human whole blood-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr followed by IgM stimulation for 18 hrs by FACS analysis
50036139	4	ChEBML_221940	Binding affinity for mu opioid receptor was evaluated by displacing [3H]- diprenorphine
50036140	2	ChEBML_47667	Antagonistic activity against cholecystokinin type A receptor
50036140	3	ChEBML_210395	Inhibition of metallopeptidase thermolysin
50036140	5	ChEBML_48760	Antagonistic activity against cholecystokinin type B receptor
50036140	6	ChEBML_225763	Inhibition of human renin
50036141	1	ChEBML_558	Binding affinity at 5-hydroxytryptamine 1A receptor in bovine hippocampal preparation using [3H]8-OH-DPAT
50036141	2	ChEBML_60557	Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells
50036141	3	ChEMBL_558 (CHEMBL615578)	Binding affinity at 5-hydroxytryptamine 1A receptor in bovine hippocampal preparation using [3H]8-OH-DPAT
50036142	1	ChEBML_145680	In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.
50000272	7	ChEMBL_1673716 (CHEMBL4023745)	Inhibition of cytoplasmic recombinant human full length His-tagged BMX expressed in baculovirus by Z'-LYTE assay
50000272	8	ChEMBL_1673717 (CHEMBL4023746)	Inhibition of recombinant human cytoplasmic full length His-tagged TEC expressed in baculovirus by Z'-LYTE assay
50000272	9	ChEMBL_1673663 (CHEMBL4023692)	Inhibition of anti-IgM-induced BTK phosphorylation at Y233 in human whole blood after 6 hrs
50000272	10	ChEMBL_1673662 (CHEMBL4023691)	Inhibition of BTK in human isolated primary B cells assessed as inhibition of anti-IgM-induced cell proliferation by [3H]thymidine incorporation assay
50000272	11	ChEMBL_1673720 (CHEMBL4023749)	Inhibition of BTK in human isolated primary B cells assessed as inhibition of CD40L-induced cell proliferation by [3H]thymidine incorporation assay
50000272	12	ChEMBL_1673722 (CHEMBL4023751)	Inhibition of BTK in human mononuclear cell-derived monocytes assessed as inhibition of FCgammaR3 activation-induced TNFalpha production by ELISA
50036144	2	ChEBML_197688	Inhibitory activity against S- adenosylmethionine decarboxylase (SAMDC) from rat liver
50000272	13	ChEMBL_1673723 (CHEMBL4023752)	Inhibition of BTK in human whole blood derived-basophils assessed as suppression of IgE mediated-FcepsilonR ligation-stimulated CD63 expression
50036145	1	ChEBML_36170	Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adrenal cortex
50036146	1	ChEBML_139962	Displacement of [3H]pirenzepine from rat cortex membrane expressing muscarinic M1 receptor
50036146	2	ChEMBL_98749 (CHEMBL874151)	Tested against muscarinic M2 receptor by displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane
50036146	3	ChEBML_140113	Compound tested in vitro for displacement of [3H]quinuclidinyl benzilate from rat cerebellum membrane expressing muscarinic M2 receptor
50036147	1	ChEBML_201723	Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined
50000272	14	ChEMBL_1673718 (CHEMBL4023747)	Inhibition of recombinant human cytoplasmic GST-tagged ERBB4 expressed in baculovirus by Z'-LYTE assay
50036148	1	ChEBML_145891	Inhibitory activity against delta-opioid receptor in mouse vas deferens preparation using DADLE
50000272	15	ChEMBL_1673721 (CHEMBL4023750)	Inhibition of anti-IgM-induced BTK phosphorylation at Y233 in human primary B cells
50036149	3	ChEBML_29637	Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand
50000272	16	ChEMBL_1673694 (CHEMBL4023723)	Inhibition of CYP3A4 (unknown origin)
50000272	17	ChEMBL_1673697 (CHEMBL4023726)	Inhibition of CYP2D6 (unknown origin)
50000273	1	ChEMBL_1673854 (CHEMBL4023883)	Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 6beta-hydroxytestosterone from testosterone after 10 mins by LC-MS/MS analysis
50000273	2	ChEMBL_1673853 (CHEMBL4023882)	Inhibition of human ERG expressed in CHO cells by automated patch clamp method
50000274	1	ChEMBL_1673874 (CHEMBL4023903)	Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counting method
50036149	5	ChEMBL_29116 (CHEMBL638728)	Binding affinity towards Adenosine A1 receptor of bovine brain at 10e-5 M with [125I]-N6-aminobenzyladenosine
50036149	8	ChEBML_29138	Binding affinity against Adenosine A1 receptor from rat forebrain membranes with N6-[3H]- cyclohexyladenosine
50000274	2	ChEMBL_1673875 (CHEMBL4023904)	Activity at human APJ receptor expressed in HEK293 cells assessed as dissociation of Galphai1 from Gbetagamma subunit after 5 mins by BRET assay
50036150	4	ChEBML_58555	Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2
50000274	3	ChEMBL_1673876 (CHEMBL4023905)	Activity at GFP10-tagged human APJ receptor expressed in HEK293 cells assessed as induction of RlucII-tagged beta-arrestin-2 recruitment after 30 mins by BRET assay
50036150	5	ChEMBL_58554 (CHEMBL667489)	Binding affinity against dopamine receptor D2 from rat striatal homogenates, using [3H]YM-09151-2 as radioligand
50000274	4	ChEMBL_1673880 (CHEMBL4023909)	Induction of human HA-tagged APJ receptor internalization expressed in HEK293 cells after 30 mins by ELISA
50036150	6	ChEBML_58175	Binding affinity against dopamine receptor D1 from rat striatal homogenates, using [3H]SCH-23,390 as radioligand
50036154	1	ChEMBL_65825 (CHEMBL682959)	Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells
50000275	1	ChEBML_1673888	Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assay
50000275	13	ChEMBL_1673911 (CHEMBL4023940)	Binding affinity to CA12 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay
50036154	5	ChEMBL_64029 (CHEMBL671548)	Effective concentration against Endothelin B receptor from rat cerebellum
50000275	5	ChEMBL_1673897 (CHEMBL4023926)	Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	19	ChEMBL_1673888 (CHEMBL4023917)	Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assay
50000275	11	ChEMBL_1673903 (CHEMBL4023932)	Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	12	ChEMBL_1673900 (CHEMBL4023929)	Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	8	ChEMBL_1673906 (CHEMBL4023935)	Binding affinity to CA1 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	9	ChEMBL_1673905 (CHEMBL4023934)	Binding affinity to CA1 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay
50000275	16	ChEMBL_1673909 (CHEMBL4023938)	Binding affinity to CA7 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	2	ChEMBL_1673899 (CHEMBL4023928)	Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate constant at pH 7 by SPR assay
50000275	4	ChEMBL_1673886 (CHEMBL4023915)	Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate constant at pH 7 by SPR assay
50000275	6	ChEMBL_1673894 (CHEMBL4023923)	Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	17	ChEMBL_1673890 (CHEMBL4023919)	Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as intrinsic dissociation rate constant at pH 7 by SPR assay
50000275	10	ChEMBL_1673902 (CHEMBL4023931)	Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissociation rate constant at pH 7 by SPR assay
50000275	14	ChEMBL_1673912 (CHEMBL4023941)	Binding affinity to CA12 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50000275	15	ChEMBL_1673908 (CHEMBL4023937)	Binding affinity to CA7 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay
50000275	7	ChEMBL_1673892 (CHEMBL4023921)	Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assay
50036155	1	ChEBML_36154	Binding affinity against angiotensin II receptor from rat liver
50036155	2	ChEMBL_36155 (CHEMBL648342)	Binding affinity against angiotensin II receptor from rat liver; n=8
50000275	3	ChEMBL_1673896 (CHEMBL4023925)	Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissociation rate constant at pH 7 by SPR assay
50000275	18	ChEMBL_1673891 (CHEMBL4023920)	Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as thermodynamic equilibrium constant at pH 7 by SPR assay
50036161	2	ChEBML_201515	Binding affinity towards serotonin transporter by displacement of [3H]- paroxetine radioligand from rat brain
50000276	1	ChEMBL_1673935 (CHEMBL4023964)	Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay
50000276	2	ChEMBL_1673933 (CHEMBL4023962)	Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay
50036163	1	ChEBML_213089	In vitro inhibition of thromboxane B2 production in rat whole blood.
50000277	1	ChEMBL_1673964 (CHEMBL4023993)	Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propyl)amino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f]-[1,3,2]diazaborinin-4-ium-5-uide binding to human N-terminal GST/His-tagged RIPK1 (1 to 375 residues) expressed in baculovirus expression system by TR-FRET assay
50036164	2	ChEBML_90946	Tested for inhibition of human ribonucleotide reductase
50000277	2	ChEMBL_1673977 (CHEMBL4024006)	Inhibition of RIPK1 in human HT-29 cells assessed as decrease in TNFalpha/AT-406/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mins followed by TNFalpha/AT-406/zVAD-FMK addition measured after 6 hrs by WES assay
50000277	3	ChEMBL_1673978 (CHEMBL4024007)	Inhibition of RIPK1 in mouse L929 cells assessed as decrease in TNFalpha/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mins followed by TNFalpha/zVAD-FMK addition measured after 6 hrs by sandwich ELISA
50000277	4	ChEMBL_1673973 (CHEMBL4024002)	Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propyl)amino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f]-[1,3,2]diazaborinin-4-ium-5-uide binding to mouse RIPK1 by TR-FRET assay
50000278	1	ChEMBL_1674050 (CHEMBL4024079)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	2	ChEMBL_1674051 (CHEMBL4024080)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	3	ChEMBL_1674052 (CHEMBL4024081)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 90 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	4	ChEMBL_1674053 (CHEMBL4024082)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	5	ChEMBL_1674054 (CHEMBL4024083)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	6	ChEMBL_1674055 (CHEMBL4024084)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	7	ChEMBL_1674056 (CHEMBL4024085)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 90 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	8	ChEMBL_1674057 (CHEMBL4024086)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	9	ChEMBL_1674058 (CHEMBL4024087)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	10	ChEMBL_1674059 (CHEMBL4024088)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	11	ChEMBL_1674060 (CHEMBL4024089)	Inhibition of full length recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus expression system using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	12	ChEMBL_1674061 (CHEMBL4024090)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus expression system using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	13	ChEMBL_1674031 (CHEMBL4024060)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518-end residues) expressed in baculovirus expression system using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50036165	7	ChEMBL_4316 (CHEMBL618424)	Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)
50000278	14	ChEMBL_1674034 (CHEMBL4024063)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus expression system using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50036165	6	ChEBML_4316	Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)
50000278	15	ChEMBL_1674036 (CHEMBL4024065)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	16	ChEMBL_1674037 (CHEMBL4024066)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	17	ChEMBL_1674038 (CHEMBL4024067)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50036166	1	ChEBML_37547	Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand
50036166	3	ChEBML_37824	Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand
50036167	1	ChEMBL_1138 (CHEMBL616083)	Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in membrane homogenates of hippocampal tissue of rat brain
50036167	2	ChEBML_62771	Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D3 in Sf 9 cells
50036167	4	ChEBML_61305	Inhibitory activity against [125I]- NCQ298 binding to dopamine receptor D2 in Sf 9 cells
50000278	18	ChEMBL_1674039 (CHEMBL4024068)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	19	ChEMBL_1674047 (CHEMBL4024076)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 90 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	20	ChEMBL_1674049 (CHEMBL4024078)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50000278	21	ChEMBL_1674062 (CHEMBL4024091)	Inhibition of recombinant human HDAC5 expressed in baculovirus expression system using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs by fluorescence assay
50000279	1	ChEBML_1674277	Inhibition of HDAC1 (unknown origin)
50000279	12	ChEMBL_1674279 (CHEMBL4024308)	Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50000279	2	ChEBML_1674279	Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50000279	7	ChEMBL_1674265 (CHEMBL4024294)	Inhibition of recombinant human full length C-terminal 6His-tagged CaMKK2 expressed in baculovirus infected sf21 cells
50000279	9	ChEMBL_1674263 (CHEMBL4024292)	Inhibition of recombinant human N-terminal GST-tagged FLT4 (800-end residues) expressed in baculovirus infected sf21 cells
50000279	10	ChEMBL_1674175 (CHEMBL4024204)	Inhibition of recombinant human full length C-terminal His6-tagged Aurora B//N-terminal GST-tagged INCENP (821-end residues) expressed in baculovirus infected sf21 cells using AKRRRLSSLRA substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50000279	13	ChEMBL_1674277 (CHEMBL4024306)	Inhibition of HDAC1 (unknown origin)
50000279	3	ChEMBL_1674268 (CHEMBL4024297)	Inhibition of recombinant human full length C-terminal 6His-tagged CDK9/Cyclin-T1 co-expressed in baculovirus infected sf21 cells using PDKtide substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50000279	11	ChEMBL_1674261 (CHEMBL4024290)	Inhibition of recombinant human N-terminal His6-tagged TrkA (440-end residues) expressed in baculovirus infected sf21 cells
50036172	1	ChEBML_99839	Inhibition of [3H]- LTB4 binding on human whole cells
50036173	3	ChEMBL_61109 (CHEMBL872884)	Binding affinity against dopamine receptor D2 in homogenated rat brain tissue, using by [3H]spiperone as radioligand
50036173	4	ChEBML_1317	Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand
50036173	5	ChEMBL_1535 (CHEMBL616358)	Binding affinity against 5-hydroxytryptamine 1A receptor in homogenated rat brain tissue, using by [3H]8-OH-DPAT as radioligand
50036173	6	ChEMBL_62099 (CHEMBL674979)	Binding affinity against D2 receptor in homogenated rat brain tissue, using by [3H]spiperone as radioligand
50036175	1	ChEBML_30640	Inhibition of human placental adenosine kinase
50036176	1	ChEBML_50813	Effective concentration against DNA polymerase alpha
50000279	5	ChEMBL_1674267 (CHEMBL4024296)	Inhibition of recombinant human full length C-terminal 6His-tagged Aurora-A expressed in baculovirus infected sf21 cells using kemptide substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50036177	3	ChEBML_52741	Binding affinity for DA2 receptor
50036177	4	ChEMBL_1228 (CHEMBL616180)	Inhibitory concentration against 5-hydroxytryptamine 1A receptor
50000279	4	ChEMBL_1674266 (CHEMBL4024295)	Inhibition of recombinant human N-terminal His6-tagged Aurora-C (35-end residues)/N-terminal GST-tagged INCENP (821-end residues) expressed in baculovirus infected sf21 cells using AKRRRLSSLRA substrate in presence of [gamma33P]ATP after 10 mins by scintillation counting method
50036178	2	ChEBML_101219	Binding affinity at [3H]PZ radiolabeled muscarinic M1 receptor in rat cortex.
50000279	6	ChEMBL_1674264 (CHEMBL4024293)	Inhibition of recombinant human N-terminal His6-tagged LIMK1 (285 to 638 residues) expressed in baculovirus infected sf21 cells
50000279	8	ChEMBL_1674262 (CHEMBL4024291)	Inhibition of recombinant human N-terminal His6-tagged TAO2 expressed in sf21 cells
50000280	1	ChEMBL_1674396 (CHEMBL4024425)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of PE-conjugated 12G5 antibody binding
50000281	1	ChEMBL_1674467 (CHEMBL4024496)	Binding affinity to ARID/PHD1/Zn binding domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli by ITC
50000281	2	ChEMBL_1674465 (CHEMBL4024494)	Inhibition of recombinant human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected sf9 cells using biotinylated H3K4me3 as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins in presence of 25 uM alpha-KG by AlphaLisa assay
50000281	3	ChEMBL_1674473 (CHEMBL4024502)	Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli using H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins in presence of 1 mM alpha-KG by FDH coupled assat
50000281	4	ChEMBL_1674474 (CHEMBL4024503)	Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli using H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins in presence of 0.1 mM alpha-KG by FDH coupled assat
50000281	5	ChEMBL_1674475 (CHEMBL4024504)	Inhibition of ARID/PHD1 domain truncated human N-terminal His-SUMO-tagged KDM5A (1 to 588 residues) expressed in Escherichia coli using H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins in presence of 0.01 mM alpha-KG by FDH coupled assat
50000285	1	ChEMBL_1674488 (CHEMBL4024517)	Agonist activity at human NOD2 expressed in HEK-Blue cells assessed as induction of NF-kB transcriptional activity after 18 hrs by SEAP reporter gene assay
50036180	1	ChEBML_99764	Kinetic constant for inactivation of MAO B from replot of half-lives of inactivation
50036181	1	ChEBML_222075	Inhibitory concentration against mu-opioid receptor in mouse vas deferens
50036182	1	ChEMBL_78152 (CHEMBL688123)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0050-0.016
50036182	2	ChEMBL_78149 (CHEMBL688066)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0015-0.0040
50036182	3	ChEMBL_78167 (CHEMBL688136)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 1.2-3.3
50036182	4	ChEMBL_78154 (CHEMBL688124)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.015-0.51
50036182	5	ChEMBL_78156 (CHEMBL688126)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.026-0.34
50036182	6	ChEMBL_78157 (CHEMBL688127)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.027-0.046
50036182	7	ChEMBL_78155 (CHEMBL688125)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.021-0.036
50036182	8	ChEMBL_78159 (CHEMBL879458)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.047-0.098
50036182	9	ChEMBL_78165 (CHEMBL688134)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.41-0.73
50036182	10	ChEMBL_78160 (CHEMBL688129)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.07-0.27
50036182	11	ChEMBL_78162 (CHEMBL688131)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.16-0.24
50036182	12	ChEMBL_78175 (CHEMBL688749)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 4.1-22
50036182	13	ChEMBL_78169 (CHEMBL688744)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 1.8-3.7
50036182	14	ChEMBL_78158 (CHEMBL688128)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.038-0.18
50036182	15	ChEMBL_78166 (CHEMBL688135)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.73-10
50036182	16	ChEMBL_78163 (CHEMBL688132)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.17-0.61
50036182	17	ChEMBL_78150 (CHEMBL688067)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0015-0.0049
50036182	19	ChEMBL_78151 (CHEMBL688068)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0040-0.053
50036182	20	ChEMBL_78161 (CHEMBL688130)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.12-0.21
50036182	21	ChEMBL_78171 (CHEMBL688746)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 2.1-54
50036182	22	ChEMBL_78164 (CHEMBL688133)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.23-0.71
50036182	23	ChEMBL_78173 (CHEMBL688748)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 3.1-9.1
50036182	24	ChEMBL_78168 (CHEMBL688743)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 1.7-2.6
50036182	25	ChEMBL_78170 (CHEMBL688745)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 1.9-5.3
50036182	26	ChEMBL_78172 (CHEMBL688747)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 2.6-4.8
50036182	27	ChEMBL_78174 (CHEMBL879459)	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 3.8-19
50000287	1	ChEMBL_1674520 (CHEMBL4024549)	Inhibition of biotin-labeled DCN1 (unknown origin) assessed as reduction in protein interaction with Ac-UBE2M12-AlexaFluor488 after 1 hr by TR-FRET assay
50036184	2	ChEBML_29140	Binding affinity for Adenosine A1 receptor using N-[3H] cyclohexyladenosine in rat forebrain membranes under usual light
50036185	1	ChEBML_92774	Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes
50036186	3	ChEMBL_155844 (CHEMBL768663)	Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries
50036186	4	ChEMBL_155853 (CHEMBL768899)	Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries
50036186	5	ChEMBL_155852 (CHEMBL768898)	Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
50036186	6	ChEMBL_155856 (CHEMBL768902)	Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries
50036186	7	ChEMBL_155847 (CHEMBL766943)	Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries
50036186	8	ChEMBL_155850 (CHEMBL768896)	Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
50036186	9	ChEMBL_155851 (CHEMBL768897)	Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
50036186	10	ChEMBL_155845 (CHEMBL768664)	Inhibition of cAMP specific phosphodiesterase from porcine aorta
50036186	11	ChEMBL_155855 (CHEMBL768901)	Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries
50000288	1	ChEMBL_1674597 (CHEMBL4024626)	Inhibition of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid binding to human full length His/MBP-fused TNNI3K expressed in baculovirus expression system after 60 mins by fluorescence polarization assay
50000288	2	ChEMBL_1674604 (CHEMBL4024633)	Inhibition of full length His6-tagged BRAF (unknown origin) expressed in baculovirus expression system assessed as reduction in MEK phosphorylation by measuring ADP production by BRAMA
50036186	13	ChEBML_155847	Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries
50036186	14	ChEBML_155849	Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
50036186	15	ChEBML_155856	Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries
50000288	3	ChEMBL_1674598 (CHEMBL4024627)	Inhibition of human Myc-tagged TNNI3K autophosphorylation expressed in HEKMSR2 cells after 30 mins by DELFIA
50036187	6	ChEMBL_162037 (CHEMBL766677)	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4 determined by measuring 3H release from [3H]-inosine
50000288	4	ChEMBL_1674599 (CHEMBL4024628)	Inhibition of EGFR (unknown origin)
50036187	7	ChEMBL_162038 (CHEMBL766678)	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4
50036187	9	ChEBML_162037	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4 determined by measuring 3H release from [3H]-inosine
50036189	1	ChEBML_195421	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 40-42
50036189	3	ChEMBL_195418 (CHEMBL803348)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 34-35
50036189	4	ChEMBL_195419 (CHEMBL803349)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 35-40
50036189	5	ChEMBL_195413 (CHEMBL803343)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 110-230
50036189	7	ChEMBL_195538 (CHEMBL800985)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 48-58
50036189	8	ChEMBL_195540 (CHEMBL800987)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 9-15
50036189	10	ChEMBL_195415 (CHEMBL803345)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 286-336
50036189	11	ChEMBL_195414 (CHEMBL803344)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 25-29
50036189	12	ChEMBL_195422 (CHEMBL803351)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 450-620
50036189	13	ChEMBL_195417 (CHEMBL803347)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 32-38
50036189	14	ChEMBL_195421 (CHEMBL803350)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 40-42
50036189	15	ChEMBL_195420 (CHEMBL873104)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 364-460
50000289	1	ChEMBL_1674615 (CHEMBL4024644)	Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transcriptional activity after 24 hrs by luciferase reporter gene assay
50036189	17	ChEMBL_195416 (CHEMBL803346)	Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 29-30
50036190	1	ChEBML_30207	Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes
50000289	2	ChEMBL_1674627 (CHEMBL4024656)	Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced GREB1 mRNA expression after 24 hrs by TaqMan assay
50000289	3	ChEMBL_1674617 (CHEMBL4024646)	Induction of selective estrogen receptor alpha degradation in human MCF7 cells after 18 to 24 hrs by in-cell Western analysis
50000290	1	ChEMBL_1674662 (CHEMBL4024805)	Inhibition of ERAP1 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay
50036192	1	ChEMBL_63515 (CHEMBL677265)	Tested for the competitive binding versus [125I]- ET-1 determined in bovine cerebrum membrane for Endothelin B receptor
50000290	2	ChEMBL_1674664 (CHEMBL4024807)	Inhibition of IRAP (unknown origin) expressed in HEK 293S GnTI(-) cells by in vitro fluorimetric assay
50036193	1	ChEMBL_27921 (CHEMBL642329)	Effective concentration required for cyclic AMP dependent inhibition of blood platelet aggregation for A2 receptor stimulation
50036193	2	ChEMBL_31096 (CHEMBL640452)	Tested for inhibition against human plasma adenosine deaminase (ADA2)
50036193	3	ChEMBL_31099 (CHEMBL640455)	Tested for binding constant against adenosine deaminase (ADA2) in human plasma
50036194	1	ChEMBL_195526 (CHEMBL800593)	Inhibitory concentration against HIV-1 reverse transcriptase in scintillation proximity assay
50000290	3	ChEMBL_1674663 (CHEMBL4024806)	Inhibition of ERAP2 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay
50036196	1	ChEMBL_68323 (CHEMBL680694)	Inhibition of [3H]tetracycline uptake into everted membrane vesicles, prepared from tetracycline resistant Escherichia coli D1-209
50036197	1	ChEMBL_213114 (CHEMBL873905)	In vitro inhibition of DHT production in Hs 68 (human genital fibroblast) cells.
50036197	2	ChEMBL_213117 (CHEMBL818196)	Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH)
50036197	3	ChEMBL_213118 (CHEMBL818197)	Compound was tested for inhibition of Type II 5-alpha-reductase in Human Prostate Homogenates (HPH).
50036197	4	ChEMBL_213115 (CHEMBL818194)	Compound was tested for inhibition of Type I 5-alpha-reductase in Human genital skin (Hs68) foreskin fibroblast cells.
50000292	1	ChEMBL_1674708 (CHEMBL4024851)	Inhibition of TNFalpha-PLAP (unknown origin)
50000292	2	ChEMBL_1674677 (CHEMBL4024820)	Inhibition of EGF-stimulated wild type EGFR phosphorylation in human LoVo cells incubated for 2 hrs followed by EGF stimulation for 10 mins by ELISA
50036198	4	ChEMBL_44983 (CHEMBL660144)	In vitro inhibition of onversion of hemoglobin by commercially purchased bovine spleen Cathepsin D.
50000292	3	ChEMBL_1674732 (CHEMBL4024875)	Inhibition of [3H]dopamine uptake at DAT in rat brain striatal synaptosomes by liquid scintillation counting analysis
50000292	4	ChEMBL_1674702 (CHEMBL4024845)	Inhibition of CRM1-mediated nucleocytoplasmic transport in human HeLa cells after 90 mins by immunofluorescence assay
50000292	5	ChEMBL_1674721 (CHEMBL4024864)	Inhibition of RSK2 in human MDA-MB-231 cells after 2 hrs
50000292	6	ChEMBL_1674680 (CHEMBL4024823)	Inhibition of JNK1 (unknown origin) after 1 hr
50000292	7	ChEMBL_1674681 (CHEMBL4024824)	Inhibition of JNK2 (unknown origin) after 1 hr
50000292	8	ChEMBL_1674682 (CHEMBL4024825)	Inhibition of JNK3 (unknown origin) after 1 hr by FRET-based assay
50000292	9	ChEMBL_1674679 (CHEMBL4024822)	Binding affinity to recombinant human GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system
50000292	10	ChEMBL_1674674 (CHEMBL4024817)	Inhibition of human calpain 1 protease using Ac-LLY-AFC as substrate after 1 hr by fluorescence assay
50000293	1	ChEMBL_1674735 (CHEMBL4024878)	Inhibition of human TG2 using glycine methyl ester/Abz-APE as substrate after 5 mins
50000293	2	ChEMBL_1674740 (CHEMBL4024883)	Inhibition of recombinant human TG2 by fluorescence assay
50000294	1	ChEMBL_1674753 (CHEMBL4024896)	Antagonist activity at GPR84 (unknown origin) expressed in cell membranes after 90 mins by [35S]GTPgammaS binding assay
50000294	2	ChEMBL_1674758 (CHEMBL4024901)	Inhibition of recombinant TACE catalytic domain (unknown origin) using pro-TNFalpha peptide Abz-LAQAVRSSSR-Dpa as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by FRET assay
50000294	3	ChEMBL_1674759 (CHEMBL4024902)	Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrofluorimetric analysis
50000294	4	ChEMBL_1674756 (CHEMBL4024899)	Inhibition of recombinant human ASK1 using STK3 peptide as substrate incubated for 30 mins followed by ATP addition measured for 3 hrs by TR-FRET assay
50000296	1	ChEMBL_1674766 (CHEMBL4024909)	Inhibition of PI3Kbeta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50000296	2	ChEMBL_1674767 (CHEMBL4024910)	Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in IFNgammaX production measured after 1 hr
50000296	3	ChEMBL_1674768 (CHEMBL4024911)	Inhibition of PI3Kdelta in ACD-treated human whole blood assessed as reduction in CD69 expression measured after 1 hr
50036201	1	ChEMBL_29096 (CHEMBL636834)	Inhibition of guinea pig acetylcholinesterase
50000296	4	ChEMBL_1674775 (CHEMBL4024918)	Inhibition of CYP2C9 (unknown origin)
50000296	5	ChEMBL_1674776 (CHEMBL4024919)	Inhibition of CYP2C19 (unknown origin)
50000296	6	ChEMBL_1674778 (CHEMBL4024921)	Inhibition of CYP3A4 (unknown origin)
50000296	7	ChEMBL_1674781 (CHEMBL4024924)	Inhibition of human ERG
50000296	8	ChEMBL_1674772 (CHEMBL4024915)	Inhibition of CYP1A2 (unknown origin)
50000296	9	ChEMBL_1674774 (CHEMBL4024917)	Inhibition of CYP2C8 (unknown origin)
50000296	10	ChEMBL_1674763 (CHEMBL4024906)	Inhibition of PI3Kdelta (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50036204	1	ChEMBL_197124 (CHEMBL801614)	Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay.
50036206	3	ChEMBL_201222 (CHEMBL801198)	Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum
50036207	1	ChEMBL_197370 (CHEMBL800623)	Inhibitory activity against recombinant rat liver S-adenosyl-homocysteine hydrolase
50036208	2	ChEMBL_153329 (CHEMBL760481)	PNP activity in human RBC
50036209	5	ChEMBL_61129 (CHEMBL670742)	Compound was evaluated for the binding affinity against [3H]U-86,170-labeled D2 sites in cloned CHO cells
50000296	11	ChEMBL_1674764 (CHEMBL4024907)	Inhibition of PI3Kgamma (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50036209	6	ChEMBL_569 (CHEMBL615587)	Inhibitory concentration against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus
50036209	7	ChEMBL_1550 (CHEMBL616372)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells
50036209	8	ChEMBL_563 (CHEMBL615583)	Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus
50036209	9	ChEMBL_62554 (CHEMBL674066)	Compound was evaluated for the binding affinity against [3H]raclopride-labeled dopamine receptor D2 in rat striatum
50036209	11	ChEMBL_61611 (CHEMBL672908)	Inhibitory concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum was estimated from single point experiment. compound was run at 1 uM
50036210	1	ChEMBL_92364 (CHEMBL701579)	Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate
50036210	2	ChEMBL_210580 (CHEMBL816531)	Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate
50036210	3	ChEMBL_47253 (CHEMBL656659)	Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate
50036210	4	ChEMBL_212336 (CHEMBL818260)	Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate
50000296	12	ChEMBL_1674765 (CHEMBL4024908)	Inhibition of PI3Kalpha (unknown origin) after 60 mins using fluorescein-labeled kinase tracer by HTRF assay
50036211	2	ChEMBL_4174 (CHEMBL875417)	Tested for inhibition of 5-LO by measuring the reduction of leukotriene B4 (LTB4) in intact basophilic rat leukemia cells
50036211	3	ChEMBL_4176 (CHEMBL619242)	Inhibition of 5-lipoxygenase measured by the reduction of leukotriene B4 (LTB4) in intact basophilic rat leukemia cells
50000296	13	ChEMBL_1674773 (CHEMBL4024916)	Inhibition of CYP2B6 (unknown origin)
50000296	14	ChEMBL_1674777 (CHEMBL4024920)	Inhibition of CYP2D6 (unknown origin)
50036212	1	ChEMBL_157562 (CHEMBL763314)	Inhibition of HIV-1 protease in vitro.
50000297	1	ChEMBL_1674808 (CHEMBL4024951)	Inhibition of BTK auto-phosphorylation at Y223 in human U2932 cells measured after 4 hrs by chemiluminescent assay
50000297	2	ChEMBL_1674790 (CHEMBL4024933)	Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
50000297	3	ChEMBL_1674789 (CHEMBL4024932)	Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
50000297	4	ChEMBL_1674788 (CHEMBL4024931)	Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
50000297	5	ChEMBL_1674791 (CHEMBL4024934)	Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
50000297	6	ChEMBL_1674795 (CHEMBL4024938)	Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 2 to 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay
50000297	7	ChEMBL_1674792 (CHEMBL4024935)	Irreversible inhibition of recombinant full length wild-type 3'-FLAG-tagged BTK (unknown origin) expressed in HEK293T cells assessed as reduction in Y223 phosphorylation measured after 4 hrs by Western blot method
50000297	8	ChEMBL_1674813 (CHEMBL4024956)	Inhibition of BTK auto-phosphorylation at Y223 in human Pfeiffer cells measured after 4 hrs by chemiluminescent assay
50000298	1	ChEMBL_1675493 (CHEMBL4025636)	Displacement of [125I]L-762,459 from recombinant human alpha1a adrenergic receptor expressed in mammalian cells measured after 1 hr
50000298	2	ChEMBL_1675491 (CHEMBL4025634)	Displacement of [3H]SNAP-7941 from recombinant human MCHR1 expressed in African green monkey COS7 cell membranes
50000299	1	ChEMBL_1675511 (CHEMBL4025654)	Inhibition of human hepatic CYP3A4
50000299	2	ChEMBL_1675508 (CHEMBL4025651)	Inhibition of recombinant human CYP17 expressed in human A549 cell membranes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mins followed by substrate and cofactor addition after 60 mins by LC/MS analysis
50000299	3	ChEMBL_1675507 (CHEMBL4025650)	Inhibition of CYP17 in Sprague-Dawley rat testes microsomes using 17-alpha hydroxyprogesterone as substrate and NADPH as cofactor pretreated for 5 mins followed by substrate and cofactor addition after 60 mins by LC/Ms analysis
50036217	1	ChEMBL_211332 (CHEMBL820775)	Inhibition of tubulin polymerization
50036219	2	ChEMBL_201736 (CHEMBL803932)	Inhibition of [3H](+)-pentazocine binding to sigma receptor of guinea pig brain homogenates
50036219	4	ChEMBL_61837 (CHEMBL673207)	Binding affinity for compound at site labeled by [3H]BTCP (1-[1-(2-benxo[b]thienyl)cyclohexyl]piperidine) in rat forebrain.
50000300	1	ChEMBL_1675765 (CHEMBL4025908)	Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method
50000301	1	ChEMBL_1675814 (CHEMBL4025957)	Inhibition of BuChE (unknown origin)
50000301	2	ChEMBL_1675813 (CHEMBL4025956)	Inhibition of AChE (unknown origin)
50000301	3	ChEBML_1675812	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate measured at 12 secs interval for 10 mins by Ellman's method
50000301	4	ChEMBL_1675811 (CHEMBL4025954)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured at 12 secs interval for 10 mins by Ellman's method
50000301	5	ChEMBL_1675809 (CHEMBL4025952)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 20 mins followed by substrate addition by DTNB reagent based spectrophotometric method
50000301	6	ChEBML_1675814	Inhibition of BuChE (unknown origin)
50000301	7	ChEBML_1675804	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine chloride as substrate after 5 mins by spectrophotometric method
50000301	8	ChEBML_1675791	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition after 2 mins by DTNB reagent based spectrophotometric method
50000301	15	ChEMBL_1675787 (CHEMBL4025930)	Inhibition of human plasma BuChE using butyrylthiocholine iodine as substrate pretreated for 10 mins followed by substrate addition measured for 5 mins by Ellman's method
50000301	16	ChEMBL_1675784 (CHEMBL4025927)	Inhibition of human RBC BuChE using s-butyrylthiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 mins by spectrophotometric method
50000301	18	ChEMBL_1675806 (CHEMBL4025949)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition by DTNB reagent based spectrophotometric method
50000301	12	ChEMBL_1675800 (CHEMBL4025943)	Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured at 60 secs interval for 180 secs by Ellman's method
50000301	20	ChEMBL_1675783 (CHEMBL4025926)	Inhibition of human plasma AChE using acetyl-(beta-methyl)thiocholine as substrate pretreated for 30 mins followed by substrate addition after 25 mins by spectrophotometric method
50000301	11	ChEMBL_1675789 (CHEMBL4025932)	Inhibition of fetal bovine serum AChE using acetylthiocholine iodide as substrate
50000301	22	ChEMBL_1675792 (CHEMBL4025935)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition after 2 mins by DTNB reagent based spectrophotometric method
50000301	14	ChEMBL_1675799 (CHEMBL4025942)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate measured at 60 secs interval for 180 secs by Ellman's method
50000301	24	ChEMBL_1675812 (CHEMBL4025955)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate measured at 12 secs interval for 10 mins by Ellman's method
50000301	23	ChEMBL_1675790 (CHEMBL4025933)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate
50000301	13	ChEMBL_1675788 (CHEMBL4025931)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 8 mins in presence of BuChE inhibitor ethopropazine by Ellman's method
50000301	21	ChEMBL_1675794 (CHEMBL4025937)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured at 1 min interval for 5 mins by Ellman's method
50000301	17	ChEMBL_1675795 (CHEMBL4025938)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured at 1 min interval for 5 mins by Ellman's method
50000301	19	ChEMBL_1675803 (CHEMBL4025946)	Inhibition of human BuChE
50000301	10	ChEMBL_1675802 (CHEMBL4025945)	Inhibition of electric eel AChE
50000302	1	ChEMBL_1675840 (CHEMBL4025983)	Inhibition of recombinant wild type human EGFR (695 to end residues) using Poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo assay
50000304	1	ChEMBL_1675876 (CHEMBL4026019)	Inhibition of human F10a assessed as decrease in p-nitroaniline cleavage from pefachrome F10a preincubated for 10 mins followed by substrate addition measured after 20 mins
50000305	1	ChEBML_1675879	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	2	ChEBML_1675880	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	3	ChEBML_1675878	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	4	ChEBML_1675881	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	5	ChEMBL_1675881 (CHEMBL4026024)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	6	ChEMBL_1675879 (CHEMBL4026022)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000305	7	ChEMBL_1675880 (CHEMBL4026023)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50000306	1	ChEMBL_1675925 (CHEMBL4026068)	Inhibition of Leishmania major PTR1 using biopterin as substrate and NADPH as cofactor by spectrofluorimetric method
50000307	1	ChEMBL_1676072 (CHEMBL4026215)	Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr
50000308	1	ChEMBL_1676200 (CHEMBL4026343)	Inhibition of Staphylococcus aureus 1199B NorA assessed as reduction in ethidium bromide efflux by fluorescence assay
50000309	1	ChEMBL_1676253 (CHEMBL4026396)	Inhibition of BACE-1 in HEK293 cells expressing human APP751 cDNA harboring N670L671 mutation pretreated for 2 hrs followed by measuring after 2 hrs by sandwich ELISA
50000309	2	ChEMBL_1676255 (CHEMBL4026398)	Inhibition of human BACE-1 preincubated for 1 hr followed by substrate addition measured after 60 mins by FRET assay
50000309	3	ChEMBL_1676256 (CHEMBL4026399)	Inhibition of BACE-1 (unknown origin)
50000309	4	ChEMBL_1676257 (CHEMBL4026400)	Inhibition of BACE-1 (unknown origin) using APP derived polypeptide harboring Lys-Met/Asn-Leu mutation as substrate by FRET assay
50000309	5	ChEMBL_1676259 (CHEMBL4026402)	Inhibition of recombinant human GSK3beta using prephosphorylated polypeptide as substrate preincubated for 30 mins followed by addition of kinase-glo stop solution measured after 10 mins by Kinase-Glo luminescence assay
50036224	2	ChEMBL_30799 (CHEMBL645075)	Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM
50000309	6	ChEMBL_1676252 (CHEMBL4026395)	Inhibition of human BACE-1
50000309	7	ChEMBL_1676258 (CHEMBL4026401)	Inhibition of BACE-1 (unknown origin) using peptide mimicking APP sequence as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by fluorescence assay
50000310	1	ChEMBL_1676263 (CHEMBL4026406)	Inhibition of N-terminal 6xHis-tagged PDE10A (unknown origin) expressed in BL21 (DE3) RIL cells using 3',5'-cGMP as substrate by microcalorimetric assay
50036226	2	ChEMBL_1300 (CHEMBL616677)	Inhibition of binding of [125I]-8-OH-PIPAT ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates
50000310	2	ChEMBL_1676262 (CHEMBL4026405)	Inhibition of human PDE4D catalytic domain using [3H]-cAMP as substrate after 30 mins by scintillation counting method
50036226	4	ChEMBL_1301 (CHEMBL616678)	The binding of [125I]MPPI ligand to 5-hydroxytryptamine 1A receptor of rat hippocampal homogenates
50036227	1	ChEMBL_37232 (CHEMBL651688)	Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine receptor
50036228	1	ChEMBL_140094 (CHEMBL752971)	Reduction of dissociation rate of [3H]N-methylscopolamine ([3H]NMS) from muscarinic acetylcholine receptor M2 of pig heart
50000311	2	ChEMBL_1676273 (CHEMBL4026416)	Inhibition of human DGAT2 assessed as reduction in synthesis of triglycerol in human hepatocyte using [14C]glycerol as substrate preincubated for 20 mins followed by substrate addition measured after 3.5 hrs by TLC method
50000311	3	ChEMBL_1676272 (CHEMBL4026415)	Inhibition of human DGAT2 using [1-14C]decanoyl-CoA/1,2-didecanoyl-sn-glycerol as substrate preincubated for 120 mins followed by substrate addition measured after 40 mins by liquid scintillation counting method
50000311	4	ChEMBL_1676274 (CHEMBL4026417)	Inhibition of recombinant cathepsin D (unknown origin)
50000312	1	ChEMBL_1676362 (CHEMBL4026505)	Inhibition of PRMT8 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50000312	2	ChEMBL_1676361 (CHEMBL4026504)	Inhibition of PRMT6 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50000312	3	ChEMBL_1676359 (CHEMBL4026502)	Inhibition of PRMT4 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50000312	4	ChEMBL_1676358 (CHEMBL4026501)	Inhibition of PRMT3 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50000312	5	ChEMBL_1676351 (CHEMBL4026494)	Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) using biotinylated H4 peptide (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of [3H]SAM by microbeta counting method
50000312	6	ChEMBL_1676360 (CHEMBL4026503)	Inhibition of PRMT5 (unknown origin) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50036231	1	ChEMBL_62647 (CHEMBL872894)	Binding affinity for dopamine transporters in rat brain tissue.
50000312	7	ChEMBL_1676354 (CHEMBL4026497)	Inhibition of rat His-tagged PRMT1 (11 to 353 residues) expressed in Escherichia coli BL21(DE3) incubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLisa method
50036232	2	ChEMBL_47955 (CHEMBL656243)	In vitro binding for half maximal inhibition of [125I]- cholecystokinin type B receptor in guinea pig cortex
50000313	1	ChEMBL_1676416 (CHEMBL4026559)	Displacement of [3H]T-3364366 from D5D in rat liver microsomal membrane preincubated for 15 mins followed by radioligand addition measured after 150 mins by TopCount microscintillation counting assay
50000313	2	ChEMBL_1676417 (CHEMBL4026560)	Inhibition of D5D in human HepG2 cells assessed as [14C]AA formation from [14C]DGLA preincubated for 30 mins followed by [14C]eicosatrienoic acid addition measured after 3 hrs by TLC analysis
50036234	2	ChEMBL_136065 (CHEMBL746539)	Evaluation for the inhibition of mu opioid binding to bovine striatal membranes by the affinity ligand 0.25 nM [3H]DAMGO
50036234	3	ChEMBL_145503 (CHEMBL752145)	Evaluation for the inhibition of kappa opioid binding to bovine striatal membranes by the affinity ligand 1 nM [3H]U-69593
50036234	4	ChEMBL_136066 (CHEMBL746540)	Evaluation for the inhibition of mu opioid binding to bovine striatal membranes by the affinity ligand 0.25 nM [3H]DAMGO radiolabeled opioid
50036234	5	ChEMBL_145504 (CHEMBL752146)	Evaluation for the inhibition of kappa opioid binding to bovine striatal membranes by the affinity ligand 1 nM [3H]U-69593 radiolabeled opioid
50036234	6	ChEMBL_136072 (CHEMBL744991)	Evaluation for the inhibition of mu opioid binding to bovine striatal membranes by the affinity ligand 0.25 nM [3H]DAMGO radiolabeled opioid
50036234	7	ChEMBL_145507 (CHEMBL752149)	Evaluation for the inhibition of kappa opioid binding to bovine striatal membranes by the affinity ligand 1 nM [3H]-U-69,593 radiolabeled opioid
50000314	1	ChEMBL_1676464 (CHEMBL4026607)	Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay
50036236	1	ChEMBL_210161 (CHEMBL813844)	Binding affinity against TS
50036236	4	ChEMBL_54591 (CHEMBL667314)	Binding affinity against dihydrofolate reductase
50000314	2	ChEMBL_1676465 (CHEMBL4026608)	Inhibition of TAMRA-labeled cRaf peptide binding to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr by fluorescence polarization assay
50000314	3	ChEMBL_1676467 (CHEMBL4026610)	Inhibition of 14-3-3zeta (unknown origin) in human U87 cells assessed as decrease in exogenous 14-3-3zeta-induced MMP1 mRNA levels after 24 hrs by RT-qPCR analysis relative to control
50000315	1	ChEMBL_1676529 (CHEMBL4026672)	Reversible inhibition of CYP3A4 in human liver microsomes
50000315	2	ChEMBL_1676530 (CHEMBL4026673)	Reversible inhibition of CYP2D6 in human liver microsomes
50000315	3	ChEMBL_1676533 (CHEMBL4026676)	Binding affinity to DP2 receptor (unknown origin)
50000315	4	ChEMBL_1676534 (CHEMBL4026677)	Binding affinity to DP2 receptor (unknown origin) in presence of 10% human serum
50000315	5	ChEMBL_1676491 (CHEMBL4026634)	Agonist activity at human recombinant phosphorylated AMPK complex 1 alpha1/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	6	ChEMBL_1676492 (CHEMBL4026635)	Agonist activity at human recombinant phosphorylated AMPK complex 2 alpha1/beta1/gamma2 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	7	ChEMBL_1676493 (CHEMBL4026636)	Agonist activity at human recombinant phosphorylated AMPK complex 3 alpha1/beta1/gamma3 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	8	ChEMBL_1676495 (CHEMBL4026638)	Agonist activity at human recombinant phosphorylated AMPK complex 5 alpha1/beta2/gamma2 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	9	ChEMBL_1676496 (CHEMBL4026639)	Agonist activity at human recombinant phosphorylated AMPK complex 6 alpha1/beta2/gamma3 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	10	ChEMBL_1676498 (CHEMBL4026641)	Agonist activity at human recombinant phosphorylated AMPK complex 9 alpha2/beta1/gamma3 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	11	ChEMBL_1676499 (CHEMBL4026642)	Agonist activity at human recombinant phosphorylated AMPK complex 10 alpha2/beta2/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	12	ChEMBL_1676500 (CHEMBL4026643)	Agonist activity at human recombinant phosphorylated AMPK complex 11 alpha2/beta2/gamma2 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	13	ChEMBL_1676476 (CHEMBL4026619)	Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	14	ChEMBL_1676494 (CHEMBL4026637)	Agonist activity at human recombinant phosphorylated AMPK complex 4 alpha1/beta2/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	15	ChEMBL_1676497 (CHEMBL4026640)	Agonist activity at human recombinant phosphorylated AMPK complex 8 alpha2/beta1/gamma2 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	16	ChEMBL_1676501 (CHEMBL4026644)	Agonist activity at human recombinant phosphorylated AMPK complex 12 alpha2/beta2/gamma3 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followed by substrate addition measured after 60 mins
50000315	17	ChEMBL_1676531 (CHEMBL4026674)	Activation of human PXR transfected in human hepatoma cells assessed as induction of CYP3A4 by luciferase reporter gene assay
50000315	18	ChEMBL_1676535 (CHEMBL4026678)	Inhibition of full length recombinant human N-terminal His6-tagged PRAK expressed in baculovirus infected Sf21 cells
50000316	1	ChEMBL_1676557 (CHEMBL4026700)	Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate addition measured after 30 mins
50000316	2	ChEMBL_1676558 (CHEMBL4026701)	Inhibition of full length human GST-tagged PAD1 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate addition measured after 30 mins
50000316	3	ChEMBL_1676559 (CHEMBL4026702)	Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate addition measured after 30 mins
50000318	1	ChEMBL_1676581 (CHEMBL4026724)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50000318	2	ChEMBL_1676593 (CHEMBL4026736)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50000318	3	ChEMBL_1676601 (CHEMBL4026744)	Binding affinity to human 15N-labeled MMP-12 catalytic domain (G106 to G263 residues) expressed in Escherichia coli BL21 Gold by 1H NSQC NMR method
50000319	1	ChEMBL_1676602 (CHEMBL4026745)	Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed as induction of cAMP after 12 to 20 mins by luciferase reporter gene assay
50000322	1	ChEMBL_1676629 (CHEMBL4026772)	Inhibition of human topoisomerase 2alpha expressed in baculovirus-infected insect cells assessed as reduction in pBR322 supercoiled DNA relaxation after 60 mins by ethidium bromide staining based agarose gel electrophoresis
50000323	3	ChEMBL_1676639 (CHEMBL4026782)	Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition after 2 hrs by filter binding assay
50000323	2	ChEMBL_1676692 (CHEMBL4026835)	Inhibition of human ERG by fluorescently labeled tracer binding method
50000175	1	ChEMBL_1676701 (CHEMBL4026844)	Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addition measured for 3 mins by Ellman's method
50000175	2	ChEMBL_1676707 (CHEMBL4026850)	Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addition measured for 3 mins by Ellman's method
50000175	3	ChEMBL_1676710 (CHEMBL4026853)	Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addition measured for 3 mins by Ellman's method
50000175	4	ChEMBL_1676712 (CHEMBL4026855)	Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addition measured for 3 mins by Ellman's method
50000175	5	ChEMBL_1676704 (CHEMBL4026847)	Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addition measured for 3 mins by Ellman's method
50000177	1	ChEMBL_1676759 (CHEMBL4026902)	Displacement of [3H]cytisine from alpha4beta2 nAChR expressed in human recombinant SH-SY5Y cell membranes after 120 mins
50000177	2	ChEMBL_1676736 (CHEMBL4026879)	Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting method
50000177	3	ChEMBL_1676737 (CHEMBL4026880)	Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M3 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting method
50000177	4	ChEMBL_1676742 (CHEMBL4026885)	Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M3 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillation counting method
50036242	2	ChEMBL_209414 (CHEMBL816621)	Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)
50000177	5	ChEMBL_1676738 (CHEMBL4026881)	Agonist activity at human recombinant muscarinic M2 receptor co-expressed with Galphaqi5-HA in African green monkey COS7 cells assessed as IP accumulation after 2 hrs in presence of myo-[3H]inositol by liquid scintillation counting method
50036243	2	ChEMBL_36744 (CHEMBL646968)	Tested for inhibitory potency against Angiotensin I Converting Enzyme
50036243	3	ChEMBL_36746 (CHEMBL884037)	Tested for inhibitory potency against Angiotensin I Converting Enzyme
50000177	6	ChEMBL_1676735 (CHEMBL4026878)	Displacement of [3H]N-methyl-scopolamine bromide from human recombinant muscarinic M1 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting method
50036243	6	ChEMBL_36745 (CHEMBL646969)	Tested for inhibitory potency against Angiotensin I converting enzyme
50036243	8	ChEMBL_210392 (CHEMBL812112)	Tested for binding against Thermolysin
50000177	7	ChEMBL_1676740 (CHEMBL4026883)	Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillation counting method
50036244	2	ChEMBL_145764 (CHEMBL752782)	Antagonist activity against delta-opioid receptor in mouse vas deferens in the presence of DADLE
50036244	3	ChEMBL_145181 (CHEMBL754281)	Binding affinity against delta-opioid receptor in guinea pig brain membranes
50000177	8	ChEMBL_1676741 (CHEMBL4026884)	Displacement of [3H]N-methyl-scopolamine from human recombinant muscarinic M2 receptor expressed in CHO-FlpIn cells after 6 hrs by liquid scintillation counting method
50036245	1	ChEMBL_89343 (CHEMBL702716)	Compound was tested for its inhibitory activity against macrophage NO2- synthesis
50036245	2	ChEMBL_65138 (CHEMBL873583)	Compound was tested for its inhibitory activity against endothelial NO2- synthesis
50036245	3	ChEMBL_89342 (CHEMBL702715)	Compound was tested for its inhibitory activity against macrophage NO2- synthesis
50036245	4	ChEMBL_65139 (CHEMBL677473)	Compound was tested for its inhibitory activity against endothelial NO2- synthesis
50000177	9	ChEMBL_1676744 (CHEMBL4026887)	Agonist activity at Gq/11 coupled recombinant human muscarinic M1 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by HTRF assay
50036246	5	ChEMBL_140110 (CHEMBL752111)	Binding affinity was measured against muscarinic (M2) receptor in rat using [3H]QN as radioligand
50036246	6	ChEMBL_140109 (CHEMBL752110)	Binding affinity was measured against muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand
50036246	7	ChEMBL_63036 (CHEMBL678339)	Iodo derivative shows a potent sigma binding ligand, had some affinity for D2 site in rat
50036246	9	ChEMBL_139959 (CHEMBL749014)	Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat
50036246	10	ChEMBL_139958 (CHEMBL749013)	Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand
50036246	11	ChEMBL_58642 (CHEMBL666356)	Binding affinity was measured against dopamine receptor D1 in rat using [3H]SCH-23390 as radioligand
50000177	10	ChEMBL_1676745 (CHEMBL4026888)	Agonist activity at Gq/11 coupled recombinant human muscarinic M3 AChR expressed in CHO-FlpIn cells assessed as IP-one accumulation after 40 mins by HTRF assay
50036246	12	ChEMBL_200982 (CHEMBL801235)	The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain.
50036246	14	ChEMBL_140111 (CHEMBL752112)	Binding affinity was measured as selectivity for sigma 1 site over muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand
50036246	15	ChEMBL_58224 (CHEMBL669952)	The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over Dopamine receptor D2 in rat using [3H]SCH-23390 as radioligand
50036246	16	ChEMBL_139960 (CHEMBL749015)	Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand
50036246	17	ChEMBL_62258 (CHEMBL675485)	Binding affinity was measured against dopamine (D2) receptor in rat using [3H]spiperone as radioligand
50036246	18	ChEMBL_201098 (CHEMBL807413)	Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat
50036246	20	ChEMBL_58829 (CHEMBL872491)	The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over dopamine 2 in rat using [3H]SCH-23390 as radioligand
50000177	11	ChEMBL_1676748 (CHEMBL4026891)	Agonist activity at Gi/o protein-coupled recombinant human muscarinic M2 receptor expressed in CHO-FlpIn cells preincubated for 60 mins followed by [35S]GTPgammaS addition measured after 30 mins by liquid scintillation counting method
50000177	12	ChEMBL_1676750 (CHEMBL4026893)	Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation after 10 mins by FRET assay
50000177	13	ChEMBL_1676752 (CHEMBL4026895)	Agonist activity at recombinant human muscarinic M2 receptor expressed in HEK293 cells co-expressing beta-arrestin assessed as increase in beta-arrestin recruitment after 24 hrs by Bright-Glo luminescence assay
50000177	14	ChEMBL_1676754 (CHEMBL4026897)	Agonist activity at recombinant human muscarinic M1 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins by alphascreen assay
50000177	15	ChEMBL_1676756 (CHEMBL4026899)	Agonist activity at recombinant human muscarinic M2 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins by alphascreen assay
50000177	16	ChEMBL_1676758 (CHEMBL4026901)	Agonist activity at recombinant human muscarinic M3 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins by alphascreen assay
50000179	1	ChEMBL_1676763 (CHEMBL4026906)	Binding affinity to recombinant human GST-tagged EphA2 cytoplasmic domain (560 to 976 residues) expressed in baculovirus expression system by fluorescence polarization assay
50000179	2	ChEMBL_1676766 (CHEMBL4026909)	Binding affinity to AKT1 (unknown origin)
50000179	3	ChEMBL_1676767 (CHEMBL4026910)	Binding affinity to NFKBIA (unknown origin)
50000179	4	ChEMBL_1676770 (CHEMBL4026913)	Inhibition of EphA2 autophosphorylation at Ser897 in human C13 cells after 24 hrs by Western blot method
50000324	1	ChEMBL_1676792 (CHEMBL4026935)	Binding affinity to VHL (unknown origin) assessed as reduction of HIF1alpha derived peptide binding to VHL complex by competitive binding fluorescence polarization assay
50000325	1	ChEMBL_1676808 (CHEMBL4026951)	Inhibition of CYP2C9 (unknown origin)
50000325	2	ChEMBL_1676807 (CHEMBL4026950)	Inhibition of CYP2C19 (unknown origin)
50000325	3	ChEMBL_1676810 (CHEMBL4026953)	Inhibition of CYP3A4 (unknown origin)
50000325	4	ChEMBL_1676811 (CHEMBL4026954)	Inhibition of human ERG by manual patch clamp method
50000325	5	ChEMBL_1676806 (CHEMBL4026949)	Inhibition of CYP1A2 (unknown origin)
50000325	6	ChEMBL_1676809 (CHEMBL4026952)	Inhibition of CYP2D6 (unknown origin)
50000329	1	ChEMBL_1676840 (CHEMBL4026983)	Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimulated IRAK4 phosphorylation at Thr345/Ser346 residues preincubated for 1 hr followed by IL-1 stimulation for 10 mins by flow cytometry analysis
50000329	2	ChEMBL_1676850 (CHEMBL4026993)	Inhibition of CYP1A2 in human liver microsomes
50036249	1	ChEMBL_31334 (CHEMBL645541)	In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation
50000329	3	ChEMBL_1676852 (CHEMBL4026995)	Inhibition of CYP2C19 in human liver microsomes
50000329	4	ChEMBL_1676853 (CHEMBL4026996)	Inhibition of CYP2D6 in human liver microsomes
50000329	5	ChEMBL_1676854 (CHEMBL4026997)	Inhibition of CYP3A4 in human liver microsomes
50000329	6	ChEMBL_1676856 (CHEMBL4026999)	Inhibition of Nav1.5 (unknown origin)
50036249	3	ChEMBL_31756 (CHEMBL645284)	Compound was evaluated In vitro for inhibition of aldose reductase activity by 50% in dog RBC
50000329	7	ChEMBL_1676857 (CHEMBL4027000)	Inhibition of Kv4.3 (unknown origin)
50000329	8	ChEMBL_1676864 (CHEMBL4027007)	Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected Sf21 insect cells
50000329	9	ChEMBL_1676865 (CHEMBL4027008)	Binding affinity to wild type human IRAK4 (M1 to S460) expressed in mammalian expression system
50000329	10	ChEMBL_1676867 (CHEMBL4027010)	Binding affinity wild type human IRAK2 (T180 to T519) expressed in mammalian expression system
50000329	11	ChEMBL_1676868 (CHEMBL4027011)	Inhibition of recombinant N-terminal His6-tagged human IRAK1 (194 end residues) expressed in baculovirus infected Sf21 cells
50000329	12	ChEMBL_1676870 (CHEMBL4027013)	Inhibition of recombinant N-terminal His6-tagged human CLK1 (130 end residues) expressed in baculovirus infected Sf21 cells
50000329	13	ChEMBL_1676871 (CHEMBL4027014)	Inhibition of recombinant N-terminal GST-tagged human CLK2 (138 end residues) expressed in baculovirus infected Sf21 cells
50000329	14	ChEMBL_1676872 (CHEMBL4027015)	Inhibition of recombinant full length N-terminal His6-tagged human CLK3 expressed in baculovirus infected Sf21 cells
50000329	15	ChEMBL_1676874 (CHEMBL4027017)	Inhibition of recombinant N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cells
50000329	16	ChEMBL_1676839 (CHEMBL4026982)	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrate after 240 mins in presence of ATP by mobility shift assay
50036253	1	ChEMBL_71297 (CHEMBL686102)	Inhibition constants obtained from using the enediol analogs as competitive inhibitors for the inhibition of the hydrolysis of S-D-lactoylglutathione by glyoxalase II
50036253	3	ChEMBL_71294 (CHEMBL684998)	Tested for inhibitory activity against yeast glyoxalase I
50036253	4	ChEMBL_71296 (CHEMBL686101)	Inhibition constant for the inhibition of the hydrolysis of S-D-lactoylglutathione by glyoxalase II
50036254	3	ChEMBL_40515 (CHEMBL651328)	Tested for the inhibition of [14C]-DDATHF influx in CCRF-CEM cells of human leukemic lymphoblast
50036254	4	ChEMBL_54259 (CHEMBL669255)	rested for inhibitory concentration against human dihydrofolate reductase(DHFR)
50036254	5	ChEMBL_156511 (CHEMBL765142)	Tested in vitro for inhibitory concentration against CCRF-CEM human Leukemic lymphoblast by using GAR FTase as primary target
50000329	17	ChEMBL_1676851 (CHEMBL4026994)	Inhibition of CYP2C9 in human liver microsomes
50000329	18	ChEMBL_1676855 (CHEMBL4026998)	Inhibition of human hERG
50000329	19	ChEMBL_1676858 (CHEMBL4027001)	Inhibition of IKs (unknown origin)
50000329	20	ChEMBL_1676866 (CHEMBL4027009)	Binding affinity wild type human IRAK3 (V147 to E596) expressed in bacterial expression system
50000329	21	ChEMBL_1676869 (CHEMBL4027012)	Binding affinity to wild type human IRAK1 (R194 to S712) expressed in mammalian expression system
50000329	22	ChEMBL_1676873 (CHEMBL4027016)	Inhibition of recombinant full length N-terminal GST-tagged human CLK4 (128 end residues) expressed in baculovirus infected Sf21 insect cells
50036256	1	ChEMBL_49345 (CHEMBL662482)	Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes
50036258	3	ChEMBL_226571 (CHEMBL874105)	Tested for its binding affinity towards sigma-1 site in presence of [3H]- - (+) pentazocine
50036258	5	ChEMBL_201103 (CHEMBL807584)	Tested for its binding affinity towards sigma-1 site using E3H1-(+)-SKF 10047 as radioligand in rat brain
50036258	6	ChEMBL_201100 (CHEMBL807415)	Tested for its binding affinity towards sigma-1 site in rat brain, using [3H](+)-3-PPP as radioligand
50036258	7	ChEMBL_201101 (CHEMBL807582)	Tested for its binding affinity towards sigma-1 site in rat brain, using [3H]-(+)-SKF- 10047 as radioligand
50036258	10	ChEMBL_201102 (CHEMBL807583)	Tested for its binding affinity towards sigma-1 site in rat brain, using [3H]DTG as radioligand
50000330	1	ChEMBL_1676968 (CHEMBL4027111)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK cell membranes after 2 hrs
50000330	2	ChEMBL_1676970 (CHEMBL4027113)	Displacement of [3H]epibatidine from rat alpha3beta4alpha5 nAChR expressed in HEK cells after 2 hrs
50000330	3	ChEMBL_1676969 (CHEMBL4027112)	Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK cell membranes after 2 hrs
50000330	4	ChEMBL_1676966 (CHEMBL4027109)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK cell membranes after 2 hrs
50000330	5	ChEMBL_1676967 (CHEMBL4027110)	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK cell membranes after 2 hrs
50036260	4	ChEMBL_205214 (CHEMBL816488)	In vitro inhibitory activity against human type 1 5-alpha reductase
50000330	6	ChEMBL_1676974 (CHEMBL4027117)	Antagonist activity at rat alpha4beta2 nAChR expressed in HEK cells assessed as inhibition of epibatidine-induced membrane potential preincubated for 10 mins followed by epibatidine addition by fluorescence assay
50000330	7	ChEMBL_1676975 (CHEMBL4027118)	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK cells assessed as inhibition of Ca2+ flux
50000330	8	ChEMBL_1676976 (CHEMBL4027119)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK cells assessed as induction of Ca2+ flux
50000331	1	ChEMBL_1677014 (CHEMBL4027157)	Inhibition of human ERG expressed in CHO cells by automated patch clamp method
50000333	1	ChEMBL_1677024 (CHEMBL4027167)	Inhibition of recombinant human full length HDAC6 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorimetric analysis
50000333	2	ChEMBL_1677037 (CHEMBL4027180)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in Escherichia coli BL21(DE3) using fluor de Lys(R) as substrate after 90 mins by fluorimetric analysis
50000333	3	ChEMBL_1677048 (CHEMBL4027191)	Inhibition of HDAC8 (unknown origin) by HTS assay
50000333	4	ChEMBL_1677049 (CHEMBL4027192)	Inhibition of human HDAC8 (1 to 377 residues) expressed in Escherichia coli BL21(DE3) using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000333	5	ChEMBL_1677034 (CHEMBL4027177)	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC1 expressed in fall armyworm Sf9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorimetric analysis
50000334	1	ChEMBL_1677056 (CHEMBL4027199)	Inhibition of human recombinant GST-tagged Lp-PLA2 (47 to 429 residues) expressed in Escherichia coli Rosetta(DE3) pLysS using 2-thio-PAF as substrate preincubated for 30 min followed by substrate addition measured every minute for 10 mins by DNTB reagent based assay
50000337	1	ChEMBL_1677080 (CHEMBL4027223)	Inhibition of human recombinant PDE1A expressed insect sf9 cells by radiometric assay
50000337	2	ChEMBL_1677111 (CHEMBL4027254)	Inhibition of human recombinant PDE2A expressed insect sf9 cells by radiometric assay
50000337	3	ChEMBL_1677112 (CHEMBL4027255)	Inhibition of human recombinant PDE3A expressed insect sf9 cells by radiometric assay
50000337	4	ChEMBL_1677113 (CHEMBL4027256)	Inhibition of human recombinant PDE4B expressed insect sf9 cells by radiometric assay
50000337	5	ChEMBL_1677114 (CHEMBL4027257)	Inhibition of human recombinant PDE5A expressed insect sf9 cells by radiometric assay
50000337	6	ChEMBL_1677116 (CHEMBL4027259)	Inhibition of human recombinant PDE7A expressed insect sf9 cells by radiometric assay
50000337	7	ChEMBL_1677117 (CHEMBL4027260)	Inhibition of human recombinant PDE8A1 expressed insect sf9 cells by radiometric assay
50000337	8	ChEMBL_1677118 (CHEMBL4027261)	Inhibition of human recombinant PDE9A2 expressed insect sf9 cells by radiometric assay
50000337	9	ChEMBL_1677119 (CHEMBL4027262)	Inhibition of human recombinant PDE10A2 expressed insect sf9 cells by radiometric assay
50036263	1	ChEMBL_63980 (CHEMBL677606)	In vitro inhibition constant of human leukocyte elastase.
50036264	1	ChEMBL_138892 (CHEMBL747884)	Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library
50036264	2	ChEMBL_138893 (CHEMBL747885)	Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO
50036264	3	ChEMBL_138894 (CHEMBL747886)	Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library
50000337	10	ChEMBL_1677120 (CHEMBL4027263)	Inhibition of human recombinant PDE11A4 expressed insect sf9 cells by radiometric assay
50036265	4	ChEMBL_63043 (CHEMBL678345)	Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.
50036265	5	ChEMBL_62774 (CHEMBL673301)	Tested for in vitro binding affinity against cloned mammalian dopamine D3 receptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand
50000338	1	ChEMBL_1677214 (CHEMBL4027357)	Antagonist activity at recombinant rat GluN1a/GluN2C expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current responses by two-electrode voltage clamp method
50000338	2	ChEMBL_1677215 (CHEMBL4027358)	Antagonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current responses by two-electrode voltage clamp method
50000338	3	ChEMBL_1677210 (CHEMBL4027353)	Displacement of [3H]-SYM2081 from recombinant homomeric rat GluK1 (Q)1b receptor expressed in baculovirus infected Sf9 insect cell membranes by scintillation counting method
50000338	4	ChEMBL_1677211 (CHEMBL4027354)	Displacement of [3H]-KA from recombinant homomeric rat GluK2 (V,C,R)a receptor expressed in baculovirus infected Sf9 insect cell membranes by scintillation counting method
50036265	11	ChEMBL_61347 (CHEMBL673250)	Tested for in vitro binding affinity against cloned mammalian dopamine autoreceptor, expressed in CHO-K1 cells, using [3H]spiperone as radioligand
50000338	5	ChEMBL_1677206 (CHEMBL4027349)	Displacement of [3H]-KA from recombinant homomeric rat GluK3a receptor expressed in baculovirus infected Sf9 insect cell membranes by scintillation counting method
50000338	6	ChEMBL_1677212 (CHEMBL4027355)	Antagonist activity at recombinant rat GluN1a/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current responses by two-electrode voltage clamp method
50000338	7	ChEMBL_1677213 (CHEMBL4027356)	Antagonist activity at recombinant rat GluN1a/GluN2B expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current responses by two-electrode voltage clamp method
50036265	12	ChEMBL_63045 (CHEMBL676707)	Tested for affinity against striatal dopamine autoreceptor (DA) D2 receptors using [3H]spiperone as radioligand in rats.
50000339	1	ChEMBL_1677254 (CHEMBL4027397)	Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISA
50036265	13	ChEMBL_1438 (CHEMBL616311)	Tested for affinity against 5-hydroxytryptamine 1A receptors using [3H]8-OH-DPAT in homogenized rat cloned CHO cells
50036266	1	ChEMBL_1445 (CHEMBL616569)	Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogenates
50036267	1	ChEMBL_138335 (CHEMBL747765)	Affinity for muscarinic receptor M1 in rat brain was measured by inhibition of [3H](R)-quinuclidinyl benzilate (QNB) binding
50000339	2	ChEMBL_1677275 (CHEMBL4027418)	Inhibition of CYP2C8 (unknown origin)
50000339	3	ChEMBL_1677276 (CHEMBL4027419)	Inhibition of CYP2C9 (unknown origin)
50000339	4	ChEMBL_1677278 (CHEMBL4027421)	Inhibition of CYP2D6 (unknown origin)
50000339	5	ChEMBL_1677279 (CHEMBL4027422)	Inhibition of CYP3A4 (unknown origin)
50000339	6	ChEMBL_1677280 (CHEMBL4027423)	Inhibition of human ERG
50000339	7	ChEMBL_1677283 (CHEMBL4027426)	Binding affinity to EZH2 (unknown origin)
50000339	8	ChEMBL_1677274 (CHEMBL4027417)	Inhibition of CYP1A2 (unknown origin)
50000339	9	ChEMBL_1677277 (CHEMBL4027420)	Inhibition of CYP2C19 (unknown origin)
50000339	10	ChEMBL_1677282 (CHEMBL4027425)	Binding affinity to EZH1 (unknown origin)
50036270	1	ChEMBL_177765 (CHEMBL785225)	Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat
50036270	3	ChEMBL_209416 (CHEMBL816623)	Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in microsome of human platelets
50036270	5	ChEMBL_177767 (CHEMBL785227)	Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat
50000342	1	ChEMBL_1677308 (CHEMBL4027451)	Inhibition of mouse AChE using acetylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured for 1 min by Ellman's method
50036270	6	ChEMBL_99667 (CHEMBL705075)	Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human neutrophils
50000342	2	ChEMBL_1677307 (CHEMBL4027450)	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured for 1 min by Ellman's method
50036271	1	ChEMBL_67991 (CHEMBL877700)	Tested for inhibition of estrone sulfatase in placental microsomal preparation (100000 g pellet) using substrate concentration of 20 uM
50036272	1	ChEMBL_45049 (CHEMBL658047)	Tested for ability to compete with dansylamide for binding to human erythrocyte carbonic-anhydrase-II (HCA-II)
50000342	3	ChEMBL_1677338 (CHEMBL4027481)	Inhibition of AChE in mouse brain homogenate using acetylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman's method
50000342	4	ChEMBL_1677336 (CHEMBL4027479)	Inhibition of BuChE in mouse brain homogenate using butyrylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman's method
50000342	5	ChEMBL_1677334 (CHEMBL4027477)	Inhibition of recombinant human AChE using acetylthiocholine as substrate after 1 min by Ellman's method
50000342	6	ChEMBL_1677310 (CHEMBL4027453)	Competitive inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate at pH 8 by stopped flow assay
50000342	7	ChEMBL_1677343 (CHEMBL4027486)	Inhibition of AChE (unknown origin)
50000342	8	ChEMBL_1677342 (CHEMBL4027485)	Inhibition of BChE (unknown origin)
50036274	2	ChEMBL_144081 (CHEMBL753044)	Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expressing alpha subunit of rat brain type voltage-gated sodium channel type 2
50000342	9	ChEMBL_1677332 (CHEMBL4027475)	Inhibition of human BuChE using butyrylthiocholine as substrate after 1 min by Ellman's method
50000343	1	ChEBML_1677354	Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method
50000343	6	ChEMBL_1677354 (CHEMBL4027497)	Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method
50000343	7	ChEMBL_1677359 (CHEMBL4027502)	Displacement of [3H]Dofetilide from human ERG expressed in HEK cells after 180 mins by scintillation counting method
50000343	3	ChEBML_1677355	Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method
50036274	3	ChEMBL_144080 (CHEMBL751305)	Inhibition of Na+ influx in chinese hamster ovary cells expressing rat brain sodium channel type IIA
50036275	1	ChEMBL_157711 (CHEMBL763385)	In vitro inhibitory activity against biotinylated human HIV-1 protease
50036276	2	ChEMBL_47833 (CHEMBL662575)	Concentration required to inhibit 50% of specific binding to Cholecystokinin type B receptor in guinea pig cortex using [125I]Bolton-Hunter CCK-8
50000343	8	ChEMBL_1677355 (CHEMBL4027498)	Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method
50000343	4	ChEMBL_1677353 (CHEMBL4027496)	Inhibition of [3H]WIN5428 uptake at wild type human DAT expressed in African green monkey COS7 cells after 90 mins
50000343	5	ChEMBL_1677361 (CHEMBL4027504)	Inhibition of [3H]DA uptake at wild type human DAT expressed in African green monkey COS7 cells after 5 mins by beta scintillation counting method
50036277	1	ChEMBL_200977 (CHEMBL802064)	Binding affinity towards sigma 1 receptor was determined in guinea pig brain membrane using [3H](+)-pentazocine as radioligand
50036278	1	ChEMBL_46180 (CHEMBL660926)	Tested against pigeon breast carnitine acyltransferase
50036278	2	ChEMBL_46319 (CHEMBL660720)	Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 1
50036278	3	ChEMBL_46324 (CHEMBL660892)	Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 2
50036278	4	ChEMBL_46322 (CHEMBL660890)	Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 1
50036278	5	ChEMBL_46325 (CHEMBL660893)	Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 2
50036280	1	ChEMBL_209959 (CHEMBL820615)	Tested for inhibition against thymidylate synthase(TS) which is partially purified from L1210 mouse leukemia cells
50036280	2	ChEMBL_209979 (CHEMBL821262)	Tested for binding affinity against thymidylate synthase(TS)
50000344	1	ChEMBL_1677380 (CHEMBL4027523)	Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-CoA after 30 mins by measuring malonyl 13C3-CoA by RapidFire mass spectrometry
50036282	1	ChEMBL_145383 (CHEMBL750073)	Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane
50036282	2	ChEMBL_136061 (CHEMBL746681)	Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane
50036282	3	ChEMBL_138873 (CHEMBL747865)	Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum
50036282	4	ChEMBL_201749 (CHEMBL809883)	Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum
50000344	2	ChEMBL_1677381 (CHEMBL4027524)	Inhibition of recombinant human ACC2 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-CoA after 30 mins by measuring malonyl 13C3-CoA by RapidFire mass spectrometry
50000344	3	ChEMBL_1677382 (CHEMBL4027525)	Inhibition of ACC1 in human HCT116 cells assessed as reduction of [14C]acetate uptake preincubated for 60 mins followed by addition of [14C]acetate and measured after 2 hrs by scintillation counting analysis
50036282	7	ChEMBL_146312 (CHEMBL758859)	Binding affinity against opioid receptor by displacing radioligand [3H]DAMGO
50036283	1	ChEMBL_62482 (CHEMBL677374)	Binding affinity was tested by measuring its ability to displace [3H]-mazindol binding against dopamine transporter (DAT) of rat striatal membranes
50036283	2	ChEMBL_62481 (CHEMBL677373)	Binding affinity was tested by measuring its ability to displace [3H]mazindol binding against dopamine transporter (DAT) of rat striatal membranes
50036284	1	ChEMBL_196551 (CHEMBL801946)	Tested for kinetic constant for the inhibition of recombinant human placental S-Adenosyl-L-homocysteine Hydrolase
50036285	4	ChEMBL_72889 (CHEMBL684056)	Tested for the inhibitory activity against Glycosomal glyceraldehyd 3-phosphate dehydrogenase (gGAPDH) of Trypanosoma brucei
50000345	1	ChEMBL_1677403 (CHEMBL4027546)	Agonist activity at human GPR40 receptor expressed in HEK293 cells assessed as increase in intracellular calcium flux after 2.5 hrs measured over 3 mins by calcium 4 dye-based FLIPR assay
50000345	2	ChEMBL_1677400 (CHEMBL4027543)	Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation counting
50000345	3	ChEMBL_1677401 (CHEMBL4027544)	Agonist activity at human PK-tagged GPR40 expressed in HEK293 cells assessed as EA-tagged beta-arrestin recruitment after 90 mins in presence of 1 % heat inactivated FBS by beta-galactosidase reporter gene assay
50000345	4	ChEMBL_1677402 (CHEMBL4027545)	Agonist activity at rat PK-tagged GPR40 expressed in human U2OS cells assessed as EA-tagged beta-arrestin recruitment after 90 mins in presence of 1 % heat inactivated FBS by beta-galactosidase reporter gene assay
50000345	5	ChEMBL_1677411 (CHEMBL4027554)	Inhibition of human CYP2D6
50000345	6	ChEMBL_1677412 (CHEMBL4027555)	Inhibition of human CYP2C9
50000345	7	ChEMBL_1677410 (CHEMBL4027553)	Inhibition of human CYP3A4
50000348	1	ChEMBL_1677528 (CHEMBL4027671)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate upto 10 uM after 10 mins in presence of NADPH by LC-MS/MS analysis
50000348	2	ChEMBL_1677529 (CHEMBL4027672)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate upto 10 uM after 10 mins in presence of NADPH by LC-MS/MS analysis
50000348	3	ChEMBL_1677530 (CHEMBL4027673)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate upto 10 uM after 20 mins in presence of NADPH by LC-MS/MS analysis
50000348	4	ChEMBL_1677531 (CHEMBL4027674)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate upto 10 uM after 10 mins in presence of NADPH by LC-MS/MS analysis
50000348	5	ChEMBL_1677532 (CHEMBL4027675)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate upto 10 uM after 45 mins in presence of NADPH by LC-MS/MS analysis
50000348	6	ChEMBL_1677533 (CHEMBL4027676)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate upto 10 uM after 20 mins in presence of NADPH by LC-MS/MS analysis
50000348	7	ChEMBL_1677534 (CHEMBL4027677)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysis
50000348	8	ChEMBL_1677535 (CHEMBL4027678)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate upto 10 uM after 5 mins in presence of NADPH by LC-MS/MS analysis
50000348	9	ChEMBL_1677519 (CHEMBL4027662)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 3 mins by QPatch test
50000348	10	ChEMBL_1677520 (CHEMBL4027663)	Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21 (DE3)/pET28a::CrtN assessed as reduction in staphyloxanthin levels using diapophytoene as substrate after overnight incubation by spectrophotometric analysis
50000348	11	ChEMBL_1677511 (CHEMBL4027654)	Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50036287	14	ChEMBL_37308 (CHEMBL651894)	Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase was determined in rat intestine
50036287	19	ChEMBL_32942 (CHEMBL646084)	Concentration that causes 50% inhibition of soluble mammalian alpha-mannosidase in rat liver. NI is less than 50 % inhibition at 1000 micro M
50036287	17	ChEMBL_33943 (CHEMBL649569)	Concentration that causes 50% inhibition of mammalian alpha-L-fucosidase was determined in bovine epididymis
50036287	13	ChEMBL_96425 (CHEMBL706373)	Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase was determined in rat intestine
50000348	12	ChEMBL_1677513 (CHEMBL4027656)	Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50036288	2	ChEMBL_71528 (CHEMBL679994)	Tested in vitro by the gastrin binding assay for the competitive binding with iodinated gastrin for the gastrin receptors in AR42J cells
50036288	3	ChEMBL_71523 (CHEMBL682560)	Tested in vitro for gastrin binding to gastrin receptors from guinea pig gastric glands
50036288	4	ChEMBL_71509 (CHEMBL680905)	Tested for the 50% inhibition level against [125I]- gastrin binding to guinea pig gastric glands
50036289	1	ChEMBL_195669 (CHEMBL800742)	Tested against HIV-1 reverse transcriptase (HIV-1 RT) with poly(rA)/(dT)12-18 as template and [methyl-3H]-dTTP as competing substrate
50000348	13	ChEMBL_1677514 (CHEMBL4027657)	Inhibition of CrtN in methicillin-resistant Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50000348	14	ChEMBL_1677652 (CHEMBL4027795)	Inhibition of CrtM in Staphylococcus aureus assessed as reduction in staphyloxanthin levels after 72 hrs by spectrophotometric method
50000348	15	ChEMBL_1677666 (CHEMBL4027809)	Inhibition of CrtN in Staphylococcus aureus Newman after 12 resistant development passages under 0.15% v/v H2O2 assessed as reduction in staphyloxanthin levels under IC90 level after 48 hrs by spectrophotometric method-based pigment inhibition assay
50036292	1	ChEMBL_89371 (CHEMBL699604)	Tested for inhibition of rat brain inducible nitric oxide synthase
50000348	16	ChEMBL_1677512 (CHEMBL4027655)	Inhibition of CrtN in methicillin-resistant Staphylococcus aureus USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50036294	1	ChEMBL_30482 (CHEMBL641434)	Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA
50036294	2	ChEMBL_31062 (CHEMBL641346)	Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor
50036294	3	ChEMBL_29644 (CHEMBL639751)	Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor
50036295	1	ChEMBL_37361 (CHEMBL652362)	Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine receptor
50036296	3	ChEMBL_58687 (CHEMBL672653)	Binding affinity towards Dopamine D2 receptor from rat striatal membranes, using [3H]- spiperone as radioligand
50000349	1	ChEMBL_1677669 (CHEMBL4027812)	Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation proximity assay
50000349	2	ChEMBL_1677674 (CHEMBL4027817)	Inhibition of full length PRMT3 (unknown origin) using biotinylated histone H4 as substrate after 60 mins in presence of [3H]S-adenosylmethionine by scintillation proximity assay
50000349	3	ChEMBL_1677673 (CHEMBL4027816)	Inhibition of FLAG-tagged wild type human PRMT3 expressed in HEK293 cells assessed as decrease in exogenous H4R3 dimethylation level using GFP-tagged histone H4 as substrate after 24 hrs by Western blot analysis
50000349	4	ChEMBL_1677671 (CHEMBL4027814)	Binding affinity to beta galactosidase fused human PRMT3 (211 to 531 residues) expressed in human HEK293 cells after 6 hrs by InCELL hunter assay
50000349	5	ChEMBL_1677670 (CHEMBL4027813)	Binding affinity to beta galactosidase fused human PRMT3 (211 to 531 residues) expressed in human A549 cells after 6 hrs by InCELL hunter assay
50000349	6	ChEMBL_1677672 (CHEMBL4027815)	Inhibition of FLAG-tagged wild type human PRMT3 expressed in HEK293 cells assessed as reduction in endogenous H4R3me2a level using GFP-tagged histone H4 as substrate after 24 hrs by Western blot analysis
50000350	1	ChEMBL_1677687 (CHEMBL4027830)	Inhibition of CYP3A4 (unknown origin) expressed in baculosomes
50000350	2	ChEMBL_1677681 (CHEMBL4027824)	Displacement of [125I]-IAAP from human P-gp expressed in high five insect cell membrane vesicles preincubated for 10 mins followed by photocrosslinking for 10 mins by exposing under UV light for 10 mins by SDS-PAGE based method
50000350	3	ChEMBL_1677688 (CHEMBL4027831)	Inhibition of CYP3A4 (unknown origin)
50000351	1	ChEMBL_1677703 (CHEMBL4027846)	Inhibition of human RRM2 expressed in Escherichia coli BL21-codon plus(DE3) using [14C]-ADP as substrate after 3 mins by liquid scintillation counting method
50000351	2	ChEMBL_1677700 (CHEMBL4027843)	Competitive inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate
50000351	3	ChEMBL_1677698 (CHEMBL4027841)	Binding affinity to human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL by fluorescence spectrophotometric method
50000351	4	ChEMBL_1677693 (CHEMBL4027836)	Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate after 3 mins by liquid scintillation counting method
50000351	5	ChEMBL_1677697 (CHEMBL4027840)	Inhibition of human RRM1 expressed in Escherichia coli BL21-codon plus(DE3)-RIL using [14C]-ADP as substrate by boronate affinity chromatography
50036299	1	ChEMBL_54966 (CHEMBL884430)	Inhibition of Dihydrofolate reductase (DHFR) of in rat liver
50036299	2	ChEMBL_53329 (CHEMBL664915)	Inhibition of Dihydrofolate reductase of Toxoplasma gondii
50036299	3	ChEMBL_52852 (CHEMBL664376)	Inhibition of Dihydrofolate reductase of Pneumocystis carinii
50036300	2	ChEMBL_63991 (CHEMBL673101)	In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 100 mg/kg
50036300	3	ChEMBL_63994 (CHEMBL872887)	In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg
50036300	4	ChEMBL_63992 (CHEMBL673102)	In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 25 mg/kg
50036300	5	ChEMBL_63993 (CHEMBL673103)	In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 45 mg/kg
50036300	6	ChEMBL_63985 (CHEMBL677611)	In vitro inhibitory activity against human neutrophil elastase
50036301	1	ChEMBL_859 (CHEMBL615915)	In vitro binding affinity to 5-hydroxytryptamine 1A receptor using [125I](R)-(+)-trans-8-OH-PIPAT as radioligand in rat hippocampal homogenate
50036301	2	ChEMBL_1412 (CHEMBL616200)	In vitro binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampal homogenate by [125I](R)-(+)-trans-8-OH-PIPAT displacement.
50036301	3	ChEMBL_1411 (CHEMBL616199)	In vitro binding affinity to 5-hydroxytryptamine 1A receptor using [125I](R)-(+)-trans-8-OH-PIPAT as radioligand in rat hippocampal homogenate
50036302	2	ChEMBL_217786 (CHEMBL824047)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gamma2 subunits expressed in HEK293 cells
50036302	3	ChEMBL_217287 (CHEMBL823756)	Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells
50036302	4	ChEMBL_217781 (CHEMBL824042)	Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells
50036302	6	ChEMBL_217788 (CHEMBL824049)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gamma2 subunits expressed in HEK293 cells
50036302	7	ChEMBL_217785 (CHEMBL824046)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gamma2 subunits expressed in HEK293 cells
50036302	8	ChEMBL_217121 (CHEMBL822941)	Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells
50000352	1	ChEMBL_1677774 (CHEMBL4027917)	Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs
50036302	10	ChEMBL_217123 (CHEMBL822943)	Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells
50036302	11	ChEMBL_217782 (CHEMBL824043)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells
50036302	12	ChEMBL_217787 (CHEMBL824048)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gamma2 subunits expressed in HEK293 cells
50036302	14	ChEMBL_217784 (CHEMBL824045)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gamma2 subunits expressed in HEK293 cells
50036302	15	ChEMBL_217122 (CHEMBL822942)	Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells
50036302	16	ChEMBL_217783 (CHEMBL824044)	Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells
50000352	2	ChEMBL_1677776 (CHEMBL4027919)	Agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity in presence of [alpha-31P]ATP
50000352	3	ChEMBL_1677782 (CHEMBL4027925)	Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenylyl cyclase in presence of [alpha-31P]ATP
50000352	4	ChEMBL_1677778 (CHEMBL4027921)	Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs
50036303	1	ChEMBL_59887 (CHEMBL673013)	Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig striatum
50036303	2	ChEMBL_201742 (CHEMBL809876)	Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand
50000352	5	ChEMBL_1677775 (CHEMBL4027918)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs
50000352	6	ChEMBL_1677777 (CHEMBL4027920)	Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity in presence of [alpha-31P]ATP
50036304	2	ChEMBL_71836 (CHEMBL683667)	Inhibition constant against mammalian glutamate dehydrogenase (GDH)
50036304	3	ChEMBL_30834 (CHEMBL645233)	Dissociation constant against mammalian liver alcohol dehydrogenase (ADH)
50036304	5	ChEMBL_71834 (CHEMBL683665)	Apparent inhibition constant against mammalian glutamate dehydrogenase (GDH)
50036304	6	ChEMBL_96560 (CHEMBL709293)	Apparent inhibition constant against mammalian lactate dehydrogenase (LDH)
50000355	1	ChEMBL_1677794 (CHEMBL4027937)	Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50000355	2	ChEMBL_1677793 (CHEMBL4027936)	Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50000355	3	ChEMBL_1677792 (CHEMBL4027935)	Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50000355	4	ChEMBL_1677791 (CHEMBL4027934)	Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli L21-GOLD (DE3) incubated for 10 mins prior to testing by stopped-flow CO2 hydration assay
50000356	1	ChEMBL_1677806 (CHEMBL4027949)	Inhibition of recombinant N-terminal His-tagged bacterial Escherichia coli TEM-1 (24 to 286 residues) expressed in Escherichia coli BL21 (DE3) cells using FC5 as substrate preincubated up to 360 mins prior to substrate addition by fluorescence-based assay
50000356	2	ChEMBL_1677808 (CHEMBL4027951)	Inhibition of human DCLRE1A
50000356	3	ChEMBL_1677809 (CHEMBL4027952)	Inhibition of human DCLRE1B
50000356	4	ChEMBL_1677807 (CHEMBL4027950)	Inhibition of recombinant Pseudomonas aeruginosa OXA-10 expressed in Escherichia coli BL21 (DE3) cells using FC5 as substrate preincubated up to 360 mins prior to substrate addition by fluorescence-based assay
50000358	1	ChEMBL_1677814 (CHEMBL4027957)	Binding affinity to Ebola virus Zaire Mayinga-76 recombinant GP protein by SYPRO orange dye-based fluorescence assay
50000359	1	ChEMBL_1677820 (CHEMBL4027963)	Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside from human galectin-1 expressed in Escherichia coli XL1 blue by competitive fluorescence polarization assay
50000359	2	ChEMBL_1677823 (CHEMBL4027966)	Binding affinity to human galectin-1 expressed in Escherichia coli XL1 blue in presence of BSA by direct fluorescence polarization titration assay
50000359	3	ChEMBL_1677824 (CHEMBL4027967)	Binding affinity to human galectin-3 expressed in Escherichia coli BL21(DE3) in presence of BSA by direct fluorescence polarization titration assay
50000359	4	ChEMBL_1677819 (CHEMBL4027962)	Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analysis
50036308	3	ChEMBL_145066 (CHEMBL753997)	Tested for binding activity against delta1 opioid receptor using [3H]DPDPE ligand
50000359	5	ChEMBL_1677818 (CHEMBL4027961)	Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-1,1'-sulfanediyl-di-beta D-galactopyranoside from human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive fluorescence polarization assay
50036308	6	ChEMBL_145065 (CHEMBL753996)	Tested for binding activity against delta opioid receptor using [3H]naltridole ligand
50036309	1	ChEMBL_200797 (CHEMBL808321)	inhibition of Influenza A Sialidase
50000359	6	ChEMBL_1677821 (CHEMBL4027964)	Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside from human galectin-3 expressed in Escherichia coli BL21(DE3) by competitive fluorescence polarization assay
50000360	1	ChEMBL_1677827 (CHEMBL4027970)	Inhibition of recombinant human topoisomerase-1 expressed in baculovirus infected sf9 cells using supercoiled pBS SK(+) DNA as substrate after 15 mins by ethidium bromide staining based agarose gel electrophoresis method
50000360	2	ChEMBL_1677828 (CHEMBL4027971)	Inhibition of recombinant human topoisomerase-1 expressed in baculovirus infected sf9 cells using supercoiled pBS SK(+) DNA as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by ethidium bromide staining based agarose gel electrophoresis method
50000360	3	ChEMBL_1677845 (CHEMBL4027988)	Binding affinity to recombinant human topoisomerase-1 expressed in baculovirus infected sf9 cells by spectrofluorimetric method
50000361	1	ChEMBL_1677872 (CHEMBL4028015)	Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA
50000361	2	ChEMBL_1677875 (CHEMBL4028018)	Inhibition of PDE5A1 (unknwon origin) using [3H]cGMP as substrate after 30 mins by SPA
50000361	3	ChEMBL_1677919 (CHEMBL4028062)	Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PDE2A in rat striatal membranes after 30 mins by liquid scintillation counting method
50000362	1	ChEMBL_1678032 (CHEMBL4028175)	Binding affinity to GR (unknown origin) expressed in human IM9 cells
50000362	2	ChEMBL_1678031 (CHEMBL4028174)	Inhibition of human ERG by patch clamp assay
50000362	3	ChEMBL_1678006 (CHEMBL4028149)	Antagonist activity at human GAL4-DBD fused AR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction in dihydrotestosterone-induced luciferase activity after 16 hrs by luciferase reporter gene assay
50000362	4	ChEMBL_1678005 (CHEMBL4028148)	Antagonist activity at GR (unknown origin) by Gal4-based cellular assay
50000362	5	ChEMBL_1678003 (CHEMBL4028146)	Antagonist activity at PR (unknown origin) by Gal4-based cellular assay
50000362	6	ChEMBL_1678002 (CHEMBL4028145)	Antagonist activity at human GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction in aldosterone-induced luciferase activity after 16 hrs in presence of serum by luciferase reporter gene assay
50036312	1	ChEMBL_91724 (CHEMBL702022)	Ability to inhibit kynureninase was determined in a competitive inhibition assay.
50036312	2	ChEMBL_91744 (CHEMBL702205)	Ability to inhibit kynurenine-3-hydroxylase was determined in a competitive inhibition assay.
50036313	1	ChEMBL_50197 (CHEMBL663490)	Binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.
50036313	2	ChEMBL_47969 (CHEMBL657472)	Binding activity against Cholecystokinin type B receptor from guinea pig cortex using [125]BH CCK-8s as radioligand.
50036314	3	ChEMBL_71814 (CHEMBL683645)	In vitro inhibition of bovine type-1 geranylgeranyl transferase
50036315	1	ChEMBL_32090 (CHEMBL643666)	Inhibitory activity against purified rat lens aldose reductase (RLAR)
50000362	7	ChEMBL_1677998 (CHEMBL4028141)	Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting
50036316	2	ChEMBL_90091 (CHEMBL702008)	Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.
50000362	8	ChEMBL_1678020 (CHEMBL4028163)	Displacement of [3H]-progesterone from recombinant human His-tagged PR-b after 4 hrs by liquid scintillation counting
50000362	9	ChEMBL_1678019 (CHEMBL4028162)	Binding affinity to AR (unknown origin)
50036318	1	ChEMBL_209651 (CHEMBL811592)	Compound was evaluated for the inhibitory constant of human thymidylate synthase
50036318	4	ChEMBL_45062 (CHEMBL658729)	Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)
50000362	10	ChEMBL_1678021 (CHEMBL4028164)	Displacement of [3H]-dexamethasone from recombinant human GST-tagged GR ligand binding domain after 4 hrs by liquid scintillation counting
50000362	11	ChEMBL_1678018 (CHEMBL4028161)	Antagonist activity at human GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction in aldosterone-induced luciferase activity after 16 hrs in serum free condition by luciferase reporter gene assay
50000362	12	ChEMBL_1678044 (CHEMBL4028187)	Antagonist activity at rat GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction in aldosterone-induced luciferase activity after 16 hrs in serum free condition by luciferase reporter gene assay
50000362	13	ChEMBL_1678022 (CHEMBL4028165)	Binding affinity to ERalpha (unknown origin)
50000363	1	ChEMBL_1678047 (CHEMBL4028190)	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorescence assay
50000363	2	ChEMBL_1678058 (CHEMBL4028201)	Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 end residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate after 30 mins in presence of NAD+ by fluorescence assay
50000363	3	ChEMBL_1678057 (CHEMBL4028200)	Inhibition of recombinant human N-terminal Strep2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)-AMC as substrate after 60 mins by fluorescence assay
50000363	4	ChEMBL_1678056 (CHEMBL4028199)	Inhibition of human HDAC10 using RHKKAc as substrate
50000363	5	ChEMBL_1678055 (CHEMBL4028198)	Inhibition of HDAC9 (unknown origin)
50000363	6	ChEMBL_1678054 (CHEMBL4028197)	Inhibition of recombinant human C-terminal His-tagged/N-terminal Strep2-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50000363	7	ChEMBL_1678053 (CHEMBL4028196)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate after 60 mins by fluorescence assay
50000363	8	ChEMBL_1678052 (CHEMBL4028195)	Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50000363	9	ChEMBL_1678051 (CHEMBL4028194)	Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50000363	10	ChEMBL_1678050 (CHEMBL4028193)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50000363	11	ChEMBL_1678049 (CHEMBL4028192)	Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50036321	3	ChEMBL_201796 (CHEMBL806131)	The potency of the [3H]paroxetine for 5-HT transporters
50000363	12	ChEMBL_1678048 (CHEMBL4028191)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50036321	4	ChEMBL_62317 (CHEMBL677519)	The potency of the [125I]RTI-55 for Dopamine transporter site
50036322	1	ChEMBL_61759 (CHEMBL670521)	Displacement of [3H]spiroperidol from D2 dopamine receptor
50036322	2	ChEMBL_3178 (CHEMBL617706)	Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor
50036323	1	ChEMBL_35506 (CHEMBL646416)	Inhibition of aminopeptidase N (APN)
50036323	2	ChEMBL_36048 (CHEMBL645580)	Inhibition of arginylaminopeptidase (aminopeptidase B)
50036323	3	ChEMBL_32828 (CHEMBL646206)	Inhibition of aminopeptidase A (APA)
50036323	4	ChEMBL_35505 (CHEMBL646415)	Inhibitory potency against aminopeptidase N (APN)
50036324	1	ChEMBL_53172 (CHEMBL666481)	Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes
50036325	2	ChEMBL_70172 (CHEMBL683543)	Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor.
50036325	3	ChEMBL_90157 (CHEMBL696979)	Inhibition of arachidonic acid-induced platelet aggregation
50036325	4	ChEMBL_90158 (CHEMBL696980)	Inhibition of collagen-induced platelet aggregation
50036325	5	ChEMBL_90160 (CHEMBL696982)	Inhibition of thrombin-induced platelet aggregation at 50 uM
50000364	1	ChEMBL_1678192 (CHEMBL4028335)	Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
50000364	2	ChEMBL_1678227 (CHEMBL4028370)	Inhibition of human liver microsomal CYP3A4
50000364	3	ChEMBL_1678226 (CHEMBL4028369)	Inhibition of human liver microsomal CYP2E1
50000364	4	ChEMBL_1678225 (CHEMBL4028368)	Inhibition of human liver microsomal CYP2D6
50000364	5	ChEMBL_1678223 (CHEMBL4028366)	Inhibition of human liver microsomal CYP2C9
50000364	6	ChEMBL_1678222 (CHEMBL4028365)	Inhibition of human liver microsomal CYP1A2
50000364	7	ChEMBL_1678206 (CHEMBL4028349)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-induced CXCR4+ cell migration pre-incubated for 10 mins before CXCL12 addition and measured after 2.5 hrs by flow cytometric analysis
50000364	8	ChEMBL_1678224 (CHEMBL4028367)	Inhibition of human liver microsomal CYP2C19
50000365	1	ChEMBL_1678255 (CHEMBL4028398)	Inhibition of human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) using nicotinamide/SAM as substrate/co-factor measured for 20 mins by SAHH-coupled fluorescent assay
50000365	2	ChEMBL_1678256 (CHEMBL4028399)	Binding affinity to human NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric method
50000365	3	ChEMBL_1678257 (CHEMBL4028400)	Inhibition of DOT1L (unknown origin) after 1 hr by filter-based assay
50000365	4	ChEMBL_1678258 (CHEMBL4028401)	Inhibition of PRMT7 (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay
50000365	5	ChEMBL_1678260 (CHEMBL4028403)	Inhibition of SMYD2 (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay
50000365	6	ChEMBL_1678259 (CHEMBL4028402)	Inhibition of BCDIN3D (unknown origin) using [3H]-SAM as co-factor by scintillation proximity assay
50000366	1	ChEMBL_1678299 (CHEMBL4028442)	Inhibition of PRAS40 binding to human GST-tagged 14-3-3 protein zeta/delta expressed in Escherichia coli BL21(DE3) by ELISA
50000366	2	ChEMBL_1678301 (CHEMBL4028444)	Inhibition of N-terminal His-tagged Tetrahymena thermophila PARG expressed in Escherichia coli Rosetta2(DE3) after 60 mins
50000366	3	ChEMBL_1678302 (CHEMBL4028445)	Displacement of A633-labeled SMRT-BBD peptide from human BCL6 BTB domain expressed in Escherichia coli by fluorescence polarization assay
50000366	4	ChEMBL_1678305 (CHEMBL4028448)	Inhibition of FITC-Bim binding to human His6-MPB tagged MCL1 expressed in Escherichia coli K-12 by TR-FRET assay
50000366	5	ChEMBL_1678306 (CHEMBL4028449)	Inhibition of Erwinia chrysanthemi N-terminal MBP-fused pentameric ligand gated ion channel expressed in Escherichia coli C43 by electrophysiology method
50000366	6	ChEMBL_1678307 (CHEMBL4028450)	Activity at mouse prion protein expressed in Escherichia coli
50000366	7	ChEMBL_1678300 (CHEMBL4028443)	Inhibition of Pseudomonas aeruginosa metallobeta-lactamase-2 expressed in Escherichia coli by fluorogenic assay
50000366	8	ChEMBL_1678304 (CHEMBL4028447)	Inhibition of Mycobacterium tuberculosis ATCC 25618 H37Rv Pks13 thioesterase domain expressed in Escherichia coli BL21(DE3) using 4-MUH as substrate by fluorescence assay
50000367	1	ChEMBL_1678330 (CHEMBL4028473)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by LC-MS/MS analysis
50000367	2	ChEMBL_1678331 (CHEMBL4028474)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by LC-MS/MS analysis
50000367	3	ChEMBL_1678333 (CHEMBL4028476)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by LC-MS/MS analysis
50000367	4	ChEMBL_1678334 (CHEMBL4028477)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by LC-MS/MS analysis
50000367	5	ChEMBL_1678332 (CHEMBL4028475)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by LC-MS/MS analysis
50000368	1	ChEMBL_1678430 (CHEMBL4028573)	Inhibition of human ACMSD expressed in Pichia pastoris using ACMS as substrate by coupled spectrophotometric assay
50000368	2	ChEMBL_1678435 (CHEMBL4028578)	Inhibition of recombinant human CYP2D6 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assay
50000368	3	ChEMBL_1678436 (CHEMBL4028579)	Inhibition of recombinant human CYP2C19 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assay
50000368	4	ChEMBL_1678463 (CHEMBL4028606)	Inhibition of rat liver KMO using [3,5-3H]-kynurenine substrate
50000368	5	ChEMBL_1678464 (CHEMBL4028607)	Inhibition of rat liver KAT2 using [3H]-kynurenine incubated for 2 hrs by liquid scintillation spectrometry method
50000368	6	ChEMBL_1678434 (CHEMBL4028577)	Inhibition of recombinant human CYP3A4 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assay
50000368	7	ChEMBL_1678437 (CHEMBL4028580)	Inhibition of recombinant rat CYP3A1 expressed in baculosomes expression system using fluorogenic-BOMCC as substrate by fluorescent homogeneous assay
50000370	1	ChEMBL_1678519 (CHEMBL4028662)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000370	2	ChEMBL_1678520 (CHEMBL4028663)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000370	3	ChEMBL_1678521 (CHEMBL4028664)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000370	4	ChEMBL_1678522 (CHEMBL4028665)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000370	5	ChEMBL_1678524 (CHEMBL4028667)	Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000370	6	ChEMBL_1678480 (CHEMBL4028623)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assay
50036328	2	ChEMBL_197036 (CHEMBL806275)	compound was evaluated for the inhibitor constant against human S-adenosyl-L-methionine decarboxylase
50036329	2	ChEMBL_2592 (CHEMBL617460)	Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin. 
50036329	3	ChEMBL_61760 (CHEMBL670522)	Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol.
50036329	4	ChEMBL_1237 (CHEMBL615879)	Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT. 
50000370	7	ChEMBL_1678523 (CHEMBL4028666)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000371	9	ChEMBL_1678536 (CHEMBL4028679)	Inhibition of Clostridium botulinum BoNT/A light chain using P39 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by HPLC method
50000371	2	ChEMBL_1678560 (CHEMBL4028703)	Inhibition of CYP3A4 (unknown origin) using BQ as substrate
50000371	4	ChEBML_1678563	Inhibition of CYP2C19 (unknown origin) using CEC as substrate
50000371	5	ChEBML_1678564	Inhibition of CYP2D6 (unknown origin) using AMMC as substrate
50000371	6	ChEBML_1678536	Inhibition of Clostridium botulinum BoNT/A light chain using P39 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by HPLC method
50000371	7	ChEMBL_1678541 (CHEMBL4028684)	Inhibition of Clostridium botulinum BoNT/A holotoxin-mediated SNAP-25 cleavage in mouse HBG3 cell-derived motor neurons preincubated for 30 mins followed by intoxication measured after 4 hrs by Western blot method
50000371	1	ChEMBL_1678545 (CHEMBL4028688)	Inhibition of Clostridium botulinum BoNT/A holotoxin-mediated SNAP-25 cleavage in mouse HBG3 cell-derived motor neurons treated at 30 mins post intoxication by Western blot method
50000371	10	ChEMBL_1678561 (CHEMBL4028704)	Inhibition of CYP3A4 (unknown origin) using DBF as substrate
50000374	1	ChEMBL_1678645 (CHEMBL4028922)	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay
50000374	2	ChEMBL_1678646 (CHEMBL4028923)	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay
50000374	3	ChEMBL_1678647 (CHEMBL4028924)	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay
50000374	4	ChEMBL_1678644 (CHEMBL4028921)	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay
50036333	3	ChEMBL_62565 (CHEMBL671496)	Binding affinity rat Dopamine receptor D2 expressed in CHO-K1 cells by [3H]U-86170 displacement.
50036334	1	ChEMBL_59156 (CHEMBL671187)	Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2
50036335	1	ChEMBL_45052 (CHEMBL658050)	Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide
50036336	1	ChEMBL_30401 (CHEMBL640815)	Compound was evaluated for the binding affinity at Alpha adrenergic receptor
50036336	3	ChEMBL_59479 (CHEMBL671439)	Compound was evaluated for the binding affinity at Dopamine receptor D2
50036336	4	ChEMBL_1071 (CHEMBL616396)	Compound was evaluated for the binding affinity at 5- HT1A receptor
50036336	6	ChEMBL_2242 (CHEMBL617187)	Compound was evaluated for the binding affinity at 5- HT2 receptor
50036339	1	ChEMBL_63767 (CHEMBL677209)	In vitro inhibition of the Epidermal growth factor receptor activity in A431 membranes
50036339	2	ChEMBL_216862 (CHEMBL816861)	In vitro inhibition of the c-src tyrosine kinase activity in A431 membranes using angiotensin II as phosphate acceptor as substrate
50036339	4	ChEMBL_226175 (CHEMBL847372)	In vitro inhibition of the v-abl tyrosine kinase activity in A431 membranes using angiotensin II as phosphate acceptor as substrate
50036340	3	ChEMBL_202569 (CHEMBL805186)	Blockade of Na+ current in frog oocytes expressing human cardiac sodium channel (HH1)
50036340	7	ChEMBL_75467 (CHEMBL687333)	Blockade of the delayed rectifier K+ current (IKr) of guinea pig myocytes
50036342	1	ChEMBL_204882 (CHEMBL808553)	Binding affinity to recombinant human Steroid 5-alpha-reductase type I was evaluated
50036342	2	ChEMBL_204749 (CHEMBL805442)	Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2
50036342	5	ChEMBL_204748 (CHEMBL805441)	Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2
50036342	8	ChEMBL_204891 (CHEMBL808561)	Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound
50036342	10	ChEMBL_204892 (CHEMBL808562)	Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity (in vitro)
50036342	11	ChEMBL_204750 (CHEMBL805443)	Binding affinity to recombinant human Steroid 5-alpha-reductase type I was evaluated
50036343	1	ChEMBL_3012 (CHEMBL620632)	Binding affinity for 5-hydroxytryptamine 3 receptor from rat cortex using [3H]BRL-43694 as radioligand
50036343	2	ChEMBL_2682 (CHEMBL617930)	Binding affinity to 5-hydroxytryptamine 2A receptor from rat cortex assayed using [3H]ketanserin as radioligand.
50036343	5	ChEMBL_1810 (CHEMBL616783)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 1B receptor from rat striatum using [3H]5-HT as radioligand.
50036343	6	ChEMBL_202302 (CHEMBL812555)	Effect of compound on Serotonin transporter uptake from rat cortex using [3H]citalopram as radioligand
50036343	7	ChEMBL_1809 (CHEMBL616782)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 1B receptor from rat striatum using [3H]5-HT as radioligand
50036343	9	ChEMBL_1466 (CHEMBL616589)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampus using [3H]8-OH-DPAT as radioligand.
50036343	10	ChEMBL_1465 (CHEMBL616588)	The compound was tested for their binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampus using [3H]-8-OH-DPAT as radioligand
50036344	1	ChEMBL_160082 (CHEMBL768498)	Inhibition of prokaryotic Escherichia coli Putrescine aminopropyltransferase was determined
50036344	4	ChEMBL_201150 (CHEMBL802175)	Inhibition of Spermidine aminopropyltransferase (SAPT) in rat liver.
50036344	5	ChEMBL_160083 (CHEMBL768668)	Inhibition of Putrescine aminopropyl transferase (PAPT) in rat liver
50036344	6	ChEMBL_160081 (CHEMBL768497)	Inhibition of prokaryotic Escherichia coli Putrescine aminopropyltransferase was determined
50036346	3	ChEMBL_202058 (CHEMBL809530)	Binding affinity at Sigma receptor type 2 on rat liver membranes receptor by [3H]DTG displacement.
50036350	1	ChEMBL_68559 (CHEMBL679646)	Inhibition of Gamma-aminobutyric acid type B receptor of rat cortex
50036351	2	ChEMBL_2240 (CHEMBL617185)	Binding affinity against serotonergic 5-HT2 receptor
50036351	3	ChEMBL_37680 (CHEMBL647763)	Binding affinity against Beta-1 adrenergic receptor
50036351	4	ChEMBL_32911 (CHEMBL876579)	Binding affinity against Alpha-2 adrenergic receptor
50036351	10	ChEMBL_33450 (CHEMBL649175)	Binding affinity against Alpha-1 adrenergic receptor
50036351	11	ChEMBL_1877 (CHEMBL616474)	Binding affinity against serotonergic 5-HT1c receptor
50036352	1	ChEMBL_201514 (CHEMBL806973)	Binding affinity towards Serotonin transporter was determined using 5-HT [3H]paroxetine as radioligand
50036352	2	ChEMBL_61845 (CHEMBL670182)	Binding affinity towards dopamine transporter was determined using DA[3H]WIN-35428 as radioligand
50036352	3	ChEMBL_142947 (CHEMBL750799)	Binding affinity towards Norepinephrine transporter was determined using NE[3H]Nisoxetine as radioligand
50036353	3	ChEMBL_106671 (CHEMBL714655)	Evaluated for agonist activity at cloned mammalian mouse Melanocortin 5 receptor
50036353	8	ChEMBL_105858 (CHEMBL717328)	Evaluated for agonist activity against mouse Melanocortin 1 receptor using mMC1R assay
50036358	6	ChEMBL_156329 (CHEMBL762562)	Inhibition of rat brain Phosphodiesterase 2
50036358	7	ChEMBL_209931 (CHEMBL813722)	In vitro inhibition of Thromboxane A2 synthase in human platelet
50036360	1	ChEMBL_961 (CHEMBL616139)	Binding affinity for cloned human 5-hydroxytryptamine 1A receptor
50036360	4	ChEMBL_1044 (CHEMBL616245)	The compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor
50036360	5	ChEMBL_1670 (CHEMBL616661)	The compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta
50036361	1	ChEMBL_38662 (CHEMBL652605)	Inhibitory activity against HSV-1 in baby hamster kidney cell
50036361	2	ChEMBL_195386 (CHEMBL806875)	In vitro inhibitory activity against HSV ribonucleotide reductase
50036361	3	ChEMBL_38663 (CHEMBL652606)	Inhibitory activity against HSV-2 in baby hamster kidney cell
50036363	1	ChEMBL_214788 (CHEMBL815525)	Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle.
50036363	10	ChEMBL_33679 (CHEMBL646820)	Compound was evaluated for the ability to inhibit binding of [3H]nitrendipine to membrane homogenates of of rat alpha-2D adrenergic receptor
50036363	17	ChEMBL_220572 (CHEMBL841853)	Binding affinity for imidazoline receptor I-1
50036367	8	ChEMBL_201668 (CHEMBL803042)	Ratio of IC50 value against Serotonin transporter to that of dopamine transporter
50036368	1	ChEMBL_159411 (CHEMBL764147)	Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine
50036368	2	ChEMBL_159929 (CHEMBL769654)	Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human
50036373	1	ChEMBL_59784 (CHEMBL671744)	Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2
50036373	2	ChEMBL_138132 (CHEMBL747253)	Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1
50036373	5	ChEMBL_139341 (CHEMBL749945)	Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M2
50036373	6	ChEMBL_601 (CHEMBL615471)	Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor
50036374	1	ChEMBL_1143 (CHEMBL616088)	Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101
50036374	2	ChEMBL_62394 (CHEMBL672949)	Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone
50036375	1	ChEMBL_62395 (CHEMBL672950)	Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone
50036375	2	ChEMBL_63038 (CHEMBL678341)	Affinity against the dopamine receptor D2 using [3H]spiperinone.
50036375	3	ChEMBL_1435 (CHEMBL616308)	Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.
50036376	1	ChEMBL_63059 (CHEMBL673626)	Binding affinity against Dopamine receptor D2 from rat striatal membranes, using [3H]sulpiride as radioligand.
50036376	3	ChEMBL_58798 (CHEMBL667040)	The compound was tested for binding affinity against Dopamine receptor D1 from rat striatal membranes, using [3H]-SCH- 23390 as radioligand.
50036377	1	ChEMBL_148132 (CHEMBL753381)	Inhibition of liver Ornithine decarboxylase in thioacetamide-treated rat
50036378	1	ChEMBL_37201 (CHEMBL650802)	Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor
50036378	2	ChEMBL_37050 (CHEMBL652439)	Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor
50036379	1	ChEMBL_4071 (CHEMBL620873)	5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using human whole blood stimulated with calcium ionophore (A23187) and LTB4 (leukotriene B4)
50036379	2	ChEMBL_4070 (CHEMBL620872)	5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using human whole blood stimulated with calcium ionophore (A23187) and LTB4 (leukotriene B4)
50036380	1	ChEMBL_28910 (CHEMBL638608)	Inhibitory activity against acetylcholinesterase
50036380	2	ChEMBL_41573 (CHEMBL654867)	Butyrylcholinesterase
50036381	1	ChEMBL_159371 (CHEMBL768145)	Binding affinity against Progesterone receptor in human TE85 osteosarcoma cells was determined using (Z)-[125I]-17-alpha-(2-iodovinyl)-19-nor-testosterone as radioligand
50036383	2	ChEMBL_60685 (CHEMBL675851)	Displacement of [3H]-YM 09151 from human Dopamine receptor D4
50036383	4	ChEMBL_62389 (CHEMBL878141)	Binding affinity towards Dopamine receptor D2 of rat using [3H]spiperone
50036385	1	ChEMBL_144596 (CHEMBL747371)	Evaluation of in vitro inhibitory activity against Neutral endopeptidase
50036385	2	ChEMBL_34786 (CHEMBL643763)	Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme
50036390	1	ChEMBL_61474 (CHEMBL672525)	Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells
50036390	2	ChEMBL_2605 (CHEMBL617473)	Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.
50036390	3	ChEMBL_2604 (CHEMBL617472)	Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membranes
50036390	4	ChEMBL_2814 (CHEMBL617843)	Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membranes
50036390	5	ChEMBL_63107 (CHEMBL674500)	Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells
50036390	6	ChEMBL_2815 (CHEMBL617844)	Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.
50036390	7	ChEMBL_61473 (CHEMBL672524)	Ability to inhibit the binding of [3H]spiperone to the D2L dopamine receptor in COS7 cells
50036391	2	ChEMBL_53464 (CHEMBL665589)	Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase
50036391	5	ChEMBL_55119 (CHEMBL665445)	Inhibitory activity against rat liver Dihydrofolate reductase
50036391	6	ChEMBL_52979 (CHEMBL664187)	Inhibitory activity against Pneumocystis carinii Dihydrofolate reductase
50036392	1	ChEMBL_144299 (CHEMBL754344)	IC50 was measured as binding to rat cortex membranes using [3H]- NT (neurotensin) as tracer
50036392	2	ChEMBL_144300 (CHEMBL754345)	IC50 was measured as binding to rat cortex membranes using [3H]- NT(neurotensin) as tracer
50036396	1	ChEMBL_41420 (CHEMBL654401)	Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro
50036396	2	ChEMBL_28164 (CHEMBL885303)	Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro
50036397	1	ChEMBL_53721 (CHEMBL663649)	In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.
50036397	2	ChEMBL_53722 (CHEMBL663650)	Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.
50036398	2	ChEMBL_58535 (CHEMBL669082)	Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum.
50036398	3	ChEMBL_201901 (CHEMBL808192)	Binding affinity against sigma receptor using [3H]-( +)-SKF10,047 radioligand
50036398	4	ChEMBL_33444 (CHEMBL649609)	Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB-4101 radioligand
50036398	5	ChEMBL_58979 (CHEMBL668644)	Binding affinity against Dopamine receptor D1 was determined using [3H]SCH-23390 radioligand
50036398	6	ChEMBL_140144 (CHEMBL749193)	Binding affinity against Muscarinic acetylcholine receptor using [3H]quinuclidinyl benzilate
50036398	8	ChEMBL_2231 (CHEMBL617176)	Binding affinity against 5-hydroxytryptamine 2 receptor was determined using [ [3H]spiperone radioligand
50036398	9	ChEMBL_61274 (CHEMBL671343)	Binding affinity against Dopamine receptor D2 was determined using [ [3H]-spiperone radioligand
50036399	1	ChEMBL_204737 (CHEMBL805430)	In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells
50036399	2	ChEMBL_204753 (CHEMBL805444)	In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells
50036403	1	ChEMBL_2006 (CHEMBL617301)	In vitro binding affinity towards 5-HT1D alpha receptor by using [3H]5-HT as radioligand
50036403	9	ChEMBL_61304 (CHEMBL673096)	In vitro binding affinity towards dopamine D2 receptor by using [3H]U-86170 as radioligand
50036404	4	ChEMBL_105896 (CHEMBL717757)	Concentration for half maximal activation of metabotropic glutamate mGluR2 in human
50036404	5	ChEMBL_104621 (CHEMBL715569)	Concentration for half maximal activation of metabotropic glutamate mGluR8 in mouse
50036404	7	ChEMBL_106717 (CHEMBL715723)	Concentration for half maximal activation of metabotropic glutamate mGluR5a in human
50036404	8	ChEMBL_106552 (CHEMBL884506)	Concentration for half maximal activation of metabotropic glutamate mGluR4a in human
50036404	10	ChEMBL_104478 (CHEMBL712460)	Concentration for half maximal activation of metabotropic glutamate mGluR7 in human
50036404	13	ChEMBL_104458 (CHEMBL712801)	Concentration for half maximal activation of metabotropic glutamate mGluR6 in rat
50036404	15	ChEMBL_106389 (CHEMBL717244)	Concentration for half maximal activation of metabotropic glutamate mGluR3 in rat
50036404	17	ChEMBL_105576 (CHEMBL709773)	Concentration for half maximal activation of metabotropic glutamate mGluR1b in human
50036405	3	ChEMBL_204751 (CHEMBL873238)	In vitro inhibition of human Steroid 5-alpha-reductase type I in transfected 293 cells using [3H]- delta4-Androstenedione as substrate
50036406	5	ChEMBL_30897 (CHEMBL645501)	Functional activity against A2a adenosine receptor from rat aorta.
50036411	3	ChEMBL_50059 (CHEMBL662428)	Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in rat pancreas
50036412	1	ChEMBL_201565 (CHEMBL804720)	Inhibitory activity against Sigma opioid receptor type 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand.
50036412	2	ChEMBL_201746 (CHEMBL809880)	Inhibition of [3H]DTG binding to sigma receptor from guinea pig brain cortex membrane
50036412	3	ChEMBL_1428 (CHEMBL616507)	Displacement of [3H]5-HT from rat hippocampal 5-hydroxytryptamine 1A receptor with 10e-6 M ketanserin
50036412	4	ChEMBL_154702 (CHEMBL763538)	Inhibitory activity against sigma receptor isolated from guinea pig brain cortex membrane using PCP as radioligand at a concentration of 10e-5 M
50036412	5	ChEMBL_201728 (CHEMBL803925)	Inhibitory activity against sigma receptor isolated from guinea pig brain cortex membrane using [3H]DTG as radioligand
50036412	6	ChEMBL_149642 (CHEMBL755409)	Inhibitory activity against Opioid receptor sigma 1 isolated from whole rat membranes using [3H](+)-pentazocine as radioligand
50036412	7	ChEMBL_1532 (CHEMBL616355)	Inhibitory activity against 5-hydroxytryptamine 1A receptor isolated from rat hippocampus membranes membrane using [3H]5-HT as radioligand in the presence of 10e-6 M ketanserin as 5-HT2 blocker
50036413	1	ChEMBL_71956 (CHEMBL685533)	In vitro inhibition of Geranylgeranyl transferase type I
50036413	3	ChEMBL_70581 (CHEMBL681318)	Inhibition of pig brain farnesyltransferase
50036415	2	ChEMBL_155188 (CHEMBL761835)	Inhibition of bovine arterial Phosphodiesterase 5
50036415	4	ChEMBL_156456 (CHEMBL764834)	Inhibition of bovine arterial Phosphodiesterase 3
50036418	10	ChEMBL_148551 (CHEMBL755353)	Compound was evaluated for Inhibition of binding of [3H]- DAMGO at Rat brain mu receptor binding site, Expt-2
50036419	1	ChEMBL_53379 (CHEMBL665783)	In vitro for inhibition of Dipeptidylpeptidase IV.
50036419	2	ChEMBL_53370 (CHEMBL884359)	Compound was tested in vitro for inhibition of Dipeptidylpeptidase II
50036419	3	ChEMBL_157481 (CHEMBL765799)	Compound was tested in vitro for inhibition of Prolyl endopeptidase
50036420	1	ChEMBL_195535 (CHEMBL800982)	Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase
50036421	1	ChEMBL_205870 (CHEMBL810137)	Binding Affinity of [3H]- substance P towards Tachykinin receptor 1-CHO cell membranes (n=3-8)
50036421	2	ChEMBL_209561 (CHEMBL808517)	Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)
50036421	4	ChEMBL_209034 (CHEMBL818109)	Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)
50036421	5	ChEMBL_209562 (CHEMBL808518)	Binding affinity against human Tachykinin receptor 3 for the displacement of [3H]-substance P binding from human Tachykinin receptor 3 CHO membrane
50036421	6	ChEMBL_205871 (CHEMBL810138)	Binding affinity against hTachykinin receptor 1 for the displacement of [3H]-substance P binding from Tachykinin receptor 1 CHO membrane
50036421	7	ChEMBL_209368 (CHEMBL812062)	Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane
50036422	1	ChEMBL_65796 (CHEMBL677977)	Binding affinity towards endothelin A receptor in porcine aortic smooth muscle membranes.
50036422	2	ChEMBL_63874 (CHEMBL671336)	Binding affinity towards endothelin B receptor in porcine cerebellum membranes
50036422	5	ChEMBL_63533 (CHEMBL677446)	Binding affinity rowards Endothelin B receptor in human girardi heart cell membranes
50036424	2	ChEMBL_205581 (CHEMBL812544)	Binding affinity towards Tachykinin receptor 1
50036425	2	ChEMBL_31723 (CHEMBL646262)	Ability of the Compound to activate Adenylate cyclase activity was measured by the conversion of [alpha-32P]ATP to 3'5'-cyclic AMP
50036426	2	ChEMBL_159456 (CHEMBL766801)	Inhibitory activity against HIV-1 protease
50036426	4	ChEMBL_159457 (CHEMBL766802)	Inhibitory activity against HIV-1 Protease.
50036426	5	ChEMBL_88776 (CHEMBL701807)	Inhibitory activity against HIV-2 Integrase was measured using 3'-processing (3'-proc) assay.
50036426	6	ChEMBL_53718 (CHEMBL663646)	Inhibitory activity against topoisomerase I.
50036428	1	ChEMBL_35223 (CHEMBL648945)	In vitro inhibition of rat angiotensin I converting enzyme
50036429	2	ChEMBL_99834 (CHEMBL709863)	Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding
50036429	3	ChEMBL_4313 (CHEMBL618421)	Binding affinity of compound for 5-lipoxygenase activating protein protein by FLAP binding assay
50036429	4	ChEMBL_98638 (CHEMBL711838)	Compound was tested for inhibitory activity against LTD4 (leukotriene).
50036429	5	ChEMBL_99851 (CHEMBL706922)	Compound was tested for inhibitory activity against Leukotriene B4 receptor binding
50036429	6	ChEMBL_99645 (CHEMBL709303)	Compound was tested for inhibitory activity against LTB4 (leukotriene) binding
50036429	7	ChEMBL_99646 (CHEMBL709304)	Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding
50036429	8	ChEMBL_52381 (CHEMBL663213)	Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptor
50036429	9	ChEMBL_99835 (CHEMBL709864)	Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding
50036429	10	ChEMBL_99647 (CHEMBL709305)	Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding
50036429	11	ChEMBL_99852 (CHEMBL706923)	Compound was tested for binding affinity against Leukotriene B4 receptor
50036429	14	ChEMBL_99833 (CHEMBL709862)	Compound was tested for binding affinity against human neutrophil LTB4 (leukotriene) receptor
50036429	15	ChEMBL_52380 (CHEMBL663212)	Compound was tested for binding affinity against Cysteinyl leukotriene D4 receptor
50036433	5	ChEMBL_37059 (CHEMBL652447)	Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate
50036433	6	ChEMBL_37074 (CHEMBL650011)	Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate
50036433	9	ChEMBL_42931 (CHEMBL654574)	Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate
50036435	5	ChEMBL_31140 (CHEMBL873048)	Ability to displace radioligand from Na+ independent Adenosine transporter in rat
50036437	3	ChEMBL_212531 (CHEMBL815751)	Inhibition of bovine trypsin
50036438	1	ChEMBL_92611 (CHEMBL700838)	determined in L-pipecolate oxidase from Rehsus monkey
50036439	1	ChEMBL_215637 (CHEMBL820955)	Displacement of [3H]RTX from Vanilloid receptor in Rat spinal cord membranes
50036439	3	ChEMBL_156813 (CHEMBL759122)	Inhibitory constant for RTX binding to porcine spinal cord
50036439	6	ChEMBL_181678 (CHEMBL786452)	Inhibitory constant for RTX binding to rat spinal cord
50036440	1	ChEMBL_99847 (CHEMBL706765)	In vitro activities of Leukotriene B4 receptor (LTB4) in human neutrophils
50036441	1	ChEMBL_104472 (CHEMBL712389)	Agonist activity of the compound at Metabotropic Excitatory Amino acid Receptors Expressed in CHO cells. mGlu6
50036441	3	ChEMBL_104469 (CHEMBL712215)	Agonistic activity at mGlu6 receptor expressed in CHO cells
50036441	4	ChEMBL_106222 (CHEMBL713617)	Agonistic activity at mGlu2 receptor expressed in CHO cells
50036441	7	ChEMBL_105875 (CHEMBL717926)	Agonist activity of the compound at Metabotropic Excitatory Amino acid Receptors Expressed in CHO cells. mGlu1-alpha
50036441	8	ChEMBL_105864 (CHEMBL717333)	Agonistic activity at mGlu1-alpha receptor expressed in CHO cells
50036441	9	ChEMBL_140699 (CHEMBL751719)	The compound was evaluated for agonist to competitive inhibition of radioligand ([3H]- CPP ) at Ionotropic Excitatory Amino acid receptors
50036441	10	ChEMBL_106708 (CHEMBL714009)	Agonistic activity at mGlu4a receptor expressed in CHO cells
50036441	12	ChEMBL_104470 (CHEMBL712387)	Agonistic activity at mGlu6 receptor expressed in CHO cells
50036441	13	ChEMBL_106229 (CHEMBL715056)	Agonist activity of the compound at Metabotropic Excitatory Amino acid Receptors Expressed in CHO cells. mGlu2
50036441	14	ChEMBL_106705 (CHEMBL714006)	Agonist activity of the compound at Metabotropic Excitatory Amino acid Receptors Expressed in CHO cells. mGlu4a
50036442	2	ChEMBL_58564 (CHEMBL667499)	Binding affinity against Dopamine receptor D2 in rat striatal membrane using [3H]spiroperidol as radioligand
50036442	4	ChEMBL_827 (CHEMBL615827)	Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampus membranes using [3H]8-OH-DPAT as radioligand
50036442	5	ChEMBL_58680 (CHEMBL670244)	Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand
50036442	6	ChEMBL_828 (CHEMBL615828)	Binding affinity against serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]8-OH-DPAT as radioligand
50036442	7	ChEMBL_58704 (CHEMBL672049)	Compound was evaluated for their affinity against Dopamine receptor D2 by displacing [3H]spiperone in rat striatal membrane
50036444	1	ChEMBL_54362 (CHEMBL875137)	Inhibitory activity against topoisomerase II determined in catenation inhibition assay
50036446	5	ChEMBL_153673 (CHEMBL757155)	Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).
50036446	8	ChEMBL_41197 (CHEMBL653463)	Compound was tested for inhibition of Beta-lactamase from RTEM-3
50036446	9	ChEMBL_41018 (CHEMBL655036)	Compound was tested for inhibition of Pseudomonas aeruginosa 18SH, class C of Beta-lactamase
50036446	10	ChEMBL_40256 (CHEMBL656486)	Compound was tested for inhibition of Citrobacter freundii 1928, class C of Beta-lactamase
50036446	12	ChEMBL_41044 (CHEMBL883285)	Compound was tested for inhibition of Beta-lactamase from Staphylococcus aureus PCI
50036446	13	ChEMBL_40565 (CHEMBL651414)	Compound was tested for inhibition of Escherichia coli AmpC, class C of Beta-lactamase
50036446	14	ChEMBL_40248 (CHEMBL654928)	Compound was tested for inhibition of Beta-lactamase from Bacteroides fragilis 36
50036446	20	ChEMBL_153527 (CHEMBL763467)	Compound was tested for inhibition of Penicillin-binding protein 1b from Escherichia coli.
50036446	21	ChEMBL_40246 (CHEMBL654926)	Compound was tested for inhibition of Beta-lactamase from Bacillus licheniformis 749/C
50036446	23	ChEMBL_40245 (CHEMBL654925)	Compound was tested for inhibition of Bacillus licheniformis 749/C, class A of Beta-lactamase
50036446	24	ChEMBL_40249 (CHEMBL654929)	Compound was tested for inhibition of Beta-lactamase from Bacteroides fragilis BF 101
50036446	25	ChEMBL_153660 (CHEMBL762725)	Compound was tested for inhibition of 604 (Cephalosporin resistant mutants of Penicillin-binding protein 2) from Streptococcus pneumoniae
50036446	27	ChEMBL_41015 (CHEMBL655033)	Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa GN10362
50036446	30	ChEMBL_40880 (CHEMBL653634)	Compound was tested for inhibition of beta-Lactamases from Morganell morgani U1627
50036446	35	ChEMBL_41194 (CHEMBL653460)	Compound was tested for inhibition of Beta-lactamase from PSE-1
50036446	36	ChEMBL_40255 (CHEMBL656485)	Compound was tested for inhibition of Beta-lactamase from Morganell morgani U1627
50036446	37	ChEMBL_41199 (CHEMBL653465)	Compound was tested for inhibition of Beta-lactamase fromOXA-2
50036446	39	ChEMBL_40564 (CHEMBL651413)	Compound was tested for inhibition of Beta-lactamase from Escherichia coli SN03
50036446	45	ChEMBL_41213 (CHEMBL652849)	Compound was tested for inhibition of Beta-lactamase from SHV-2
50036446	48	ChEMBL_41187 (CHEMBL876649)	Compound was tested for inhibition of Beta-lactamase from Xanthomonas maltophila 328
50036446	50	ChEMBL_153674 (CHEMBL757156)	Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).
50036446	51	ChEMBL_41198 (CHEMBL653464)	Compound was tested for inhibition of Beta-lactamase from SHV-2
50036447	1	ChEMBL_46806 (CHEMBL659693)	Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 1 enriched rat brain microsome preparation.
50036447	2	ChEMBL_47000 (CHEMBL658969)	Compound was evaluated for its ability to displace specifically bound [3H]CP-55940 from a Cannabinoid receptor 2 enriched mouse spleen preparation.
50036450	1	ChEMBL_68365 (CHEMBL677065)	Compound was tested for inhibition of the Folate hydrolase
50036451	3	ChEMBL_4170 (CHEMBL619237)	Inhibitory concentration against 5-lipoxygenase in rat RBL-1 cells
50036453	1	ChEMBL_142960 (CHEMBL750812)	Inhibition of [3H]nisoxetine binding to the norepinephrine transporter in rat midbrain.
50036453	2	ChEMBL_62011 (CHEMBL671633)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat striata.
50036453	3	ChEMBL_201655 (CHEMBL806555)	Inhibition of [3H]paroxetine binding to serotonin transporter in rat frontal cortex
50036455	4	ChEMBL_58683 (CHEMBL670247)	Binding affinity towards Dopamine receptor D2 was determined in rat striatum using [3H]- spiperone as radioligand
50036455	5	ChEMBL_831 (CHEMBL615831)	Binding affinity towards serotonin 5-HT1A receptor was determined in rat hippocampus using [3H]8-OH-DPAT as ligand
50036455	8	ChEMBL_58562 (CHEMBL667497)	Binding affinity towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand
50000377	1	ChEMBL_1679092 (CHEMBL4029369)	Agonist activity at human mu-opioid receptor expressed in HEK293 cells coexpressing delta6-Galphaqi4-myr assessed as induction of intracellular calcium flux after 48 hrs by FLIPR assay
50000377	2	ChEMBL_1679093 (CHEMBL4029370)	Agonist activity at human mu-opioid receptor expressed in HEK293 cell membranes after 1 hr by [35S]-GTPgammaS binding assay
50000377	3	ChEMBL_1679090 (CHEMBL4029367)	Displacement of [3H]-DAMGO from human HA-tagged mu-opioid receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting analysis
50000381	1	ChEMBL_1679172 (CHEMBL4029449)	Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHO cell membranes
50000381	2	ChEMBL_1679175 (CHEMBL4029452)	Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
50000381	3	ChEMBL_1679176 (CHEMBL4029453)	Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes
50000381	4	ChEMBL_1679180 (CHEMBL4029457)	Inhibition of human ATX using FS-3 as substrate incubated for 30 mins followed by substrate addition measured for 2 hrs by FRET assay
50000381	5	ChEMBL_1679181 (CHEMBL4029458)	Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
50000381	6	ChEMBL_1679182 (CHEMBL4029459)	Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
50000381	7	ChEMBL_1679185 (CHEMBL4029462)	Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 mins
50000381	8	ChEMBL_1679186 (CHEMBL4029463)	Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
50000381	9	ChEMBL_1679187 (CHEMBL4029464)	Agonist activity at human S1P3 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
50000381	10	ChEMBL_1679188 (CHEMBL4029465)	Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation counting analysis
50000381	11	ChEMBL_1679184 (CHEMBL4029461)	Agonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysis
50000381	12	ChEMBL_1679173 (CHEMBL4029450)	Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranes
50000383	1	ChEBML_1679199	Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	2	ChEBML_1679198	Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	3	ChEBML_1679202	Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	4	ChEBML_1679201	Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50036458	1	ChEMBL_196742 (CHEMBL857626)	Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant.
50000383	5	ChEBML_1679200	Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	6	ChEMBL_1679199 (CHEMBL4029476)	Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	7	ChEMBL_1679201 (CHEMBL4029478)	Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	8	ChEMBL_1679200 (CHEMBL4029477)	Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	9	ChEMBL_1679198 (CHEMBL4029475)	Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000383	10	ChEMBL_1679202 (CHEMBL4029479)	Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50000384	1	ChEMBL_1679275 (CHEMBL4029552)	Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay
50000384	2	ChEMBL_1679274 (CHEMBL4029551)	Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay
50000384	3	ChEMBL_1679277 (CHEMBL4029554)	Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate measured after 30 mins by TR-FRET based LANCE assay
50000384	4	ChEMBL_1679278 (CHEMBL4029555)	Inhibition of CDK9 (unknown origin)
50000384	5	ChEMBL_1679205 (CHEMBL4029482)	Inhibition of full length N-terminal GST/His6-tagged human CDK8 (M1 to Y463 residues)/N-terminal His6-tagged Cyc C (M1 to S283 residues) expressed in Sf9 insect cells at 1 uM using RBER-IRStide as substrate by filter binding assay
50000384	6	ChEMBL_1679206 (CHEMBL4029483)	Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system by LanthaScreen assay
50036463	1	ChEMBL_62385 (CHEMBL672338)	Binding affinity was tested on Dopamine receptor D2 using radioligand [3H]spiroperidol
50036463	2	ChEMBL_1103 (CHEMBL616426)	Binding affinity was tested on 5-hydroxytryptamine 1A receptor using radioligand [3H]5-HT binding assay.
50036463	3	ChEMBL_62240 (CHEMBL671572)	Binding affinity of compound towards Dopamine receptor D2 was determined in rat striatal homogenate using [3H]- spiperone as radioligand
50000384	7	ChEMBL_1679209 (CHEMBL4029486)	Inhibition of CDK8 in human A549 cells by mass spectrometric method
50036463	5	ChEMBL_154850 (CHEMBL769684)	Binding affinity of compound was tested on Phencyclidine binding assay.
50000384	8	ChEMBL_1679210 (CHEMBL4029487)	Inhibition of CDK8 (unknown origin) assessed as reduction in RNAP2 C-terminal domain phosphorylation
50000384	9	ChEMBL_1679212 (CHEMBL4029489)	Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727 after 2 hrs by Western blot method
50000384	10	ChEMBL_1679219 (CHEMBL4029496)	Binding affinity to partial length wild-type human CDK19 (M1 to N360 residues) expressed in bacterial expression system by KINOMEscan assay
50000384	11	ChEMBL_1679220 (CHEMBL4029497)	Binding affinity to partial length wild-type human CDK8 (M1 to T360residues) expressed in bacterial expression system by kinome scan assay
50000384	12	ChEMBL_1679222 (CHEMBL4029499)	Binding affinity to partial length wild-type human HASPIN (I452 to K798 residues) expressed in bacterial expression system by kinome scan assay
50000384	13	ChEMBL_1679223 (CHEMBL4029500)	Binding affinity to partial length wild-type human YSK4 (T1019 to H1328 residues) expressed in bacterial expression system by kinome scan assay
50000384	14	ChEMBL_1679225 (CHEMBL4029502)	Binding affinity to partial length wild-type human EPHA3 (D604 to K889 residues) expressed in bacterial expression system by kinome scan assay
50036465	1	ChEMBL_32263 (CHEMBL645597)	Evaluated for inhibition of Aldose reductase 2
50036465	2	ChEMBL_201008 (CHEMBL803029)	Inhibition of sorbitol dehydrogenase from sheep liver (40 U/mg of protein)
50036465	3	ChEMBL_31325 (CHEMBL644878)	Evaluated for inhibition of Aldehyde reductase 1
50036465	4	ChEMBL_72608 (CHEMBL681067)	Inhibition of Glutathione reductase
50036465	6	ChEMBL_72609 (CHEMBL681068)	Inhibition of glutathione reductase
50036467	3	ChEMBL_27803 (CHEMBL636513)	Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2)
50036467	2	ChEMBL_27802 (CHEMBL636512)	Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1)
50036467	1	ChEMBL_27801 (CHEMBL636511)	Inhibitory activity against Acetylcholinesterase
50036468	1	ChEMBL_200012 (CHEMBL810701)	Blocking activity on Selectin P ligand binding
50036469	1	ChEMBL_209445 (CHEMBL816046)	The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase
50036469	2	ChEMBL_209121 (CHEMBL812570)	The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthase
50036469	3	ChEMBL_209447 (CHEMBL816048)	The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthase
50036469	4	ChEMBL_53308 (CHEMBL662240)	The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondii
50036469	5	ChEMBL_209626 (CHEMBL816742)	The inhibitory concentration of compound was evaluated on Human Thymidylate synthase
50036469	6	ChEMBL_208764 (CHEMBL811077)	The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthase
50036469	7	ChEMBL_209441 (CHEMBL814297)	The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthase
50036469	8	ChEMBL_55141 (CHEMBL668784)	The inhibitory concentration of compound against Dihydrofolate reductases on rat liver
50036469	9	ChEMBL_209122 (CHEMBL873884)	The inhibitory concentration of compound was evaluated on Lactobacillus casei thymidylate synthase
50036469	10	ChEMBL_52828 (CHEMBL665819)	The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini
50036469	11	ChEMBL_209627 (CHEMBL816743)	The inhibitory concentration of compound was evaluated on Human thymidylate synthase
50036469	12	ChEMBL_209448 (CHEMBL816049)	The inhibitory concentration of compound was evaluated on Streptococcus faecium thymidylate synthase
50036469	13	ChEMBL_208765 (CHEMBL811078)	The inhibitory concentration of compound was evaluated on Escherichia coli thymidylate synthase
50036469	14	ChEMBL_52829 (CHEMBL665035)	The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini (pc)
50036469	15	ChEMBL_55142 (CHEMBL668785)	The inhibitory concentration of compound against Dihydrofolate reductases on rat liver (rl)
50036469	16	ChEMBL_53137 (CHEMBL665858)	The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis carini
50036470	2	ChEMBL_209814 (CHEMBL815679)	Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.
50036470	1	ChEMBL_209817 (CHEMBL815682)	Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in intact cells.
50036470	3	ChEMBL_209953 (CHEMBL820609)	Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in permeabilised cells.
50036470	5	ChEMBL_209815 (CHEMBL815680)	Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells
50036470	6	ChEMBL_209484 (CHEMBL883481)	Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells.
50036470	7	ChEMBL_209482 (CHEMBL809909)	Inhibition of cellular thymidylate synthase activity of human leukemia cell line(CCRF-CEM). 
50036470	8	ChEMBL_209483 (CHEMBL809910)	Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.
50036471	1	ChEMBL_52874 (CHEMBL666233)	Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat
50036471	2	ChEMBL_52873 (CHEMBL666232)	Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse
50036472	1	ChEMBL_29147 (CHEMBL639427)	Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.
50036472	2	ChEMBL_31859 (CHEMBL643936)	Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.
50036472	3	ChEMBL_30922 (CHEMBL647732)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane
50036472	4	ChEMBL_31254 (CHEMBL640399)	Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells
50036473	1	ChEMBL_226554 (CHEMBL847751)	Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay
50036473	4	ChEMBL_201638 (CHEMBL806539)	Inhibition of [3H]5-HT reuptake at rat serotonin transporter
50036473	6	ChEMBL_226557 (CHEMBL847754)	Binding affinity against sigma receptor using radioligand ([3H](+)-pentazocine) binding assay
50036473	8	ChEMBL_61856 (CHEMBL671001)	Compound was tested for binding affinity against dopamine transporter using radioligand as [3H]-RTI 55
50000384	15	ChEMBL_1679207 (CHEMBL4029484)	Inhibition of CDK8 induced beta-catenin transcriptional activity in human HCT116 cells by luciferase reporter gene assay
50000384	16	ChEMBL_1679221 (CHEMBL4029498)	Binding affinity to full length human DYRK1B (M1 to S629 residues) expressed in bacterial expression system by kinome scan assay
50000384	17	ChEMBL_1679224 (CHEMBL4029501)	Binding affinity to partial length human HIPK1 (M146 to I555 residues) expressed in mammalian expression system by kinome scan assay
50000385	1	ChEMBL_1679286 (CHEMBL4029563)	Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometric method
50000385	2	ChEMBL_1679287 (CHEMBL4029564)	Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometric method
50036475	4	ChEMBL_62339 (CHEMBL674431)	Binding affinity against dopamine transporter in rat caudate putamen tissue using [3H]WIN-35428 radioligand.
50000387	1	ChEMBL_1679338 (CHEMBL4029615)	Inhibition of recombinant human PARP1 expressed in Escherichia coli BL21(DE3) using histone as substrate measured after 1 hr in presence of biotinylated NAD+ by ELISA
50036478	4	ChEMBL_209240 (CHEMBL814867)	Concentration of compound required to inhibit agonist (SFFLRR-NH2, at 3 uM) induced platelet aggregation by 50%
50000387	2	ChEMBL_1679341 (CHEMBL4029618)	Inhibition of recombinant human PARP1 expressed in Escherichia coli BL21(DE3) using sheared DNA as substrate measured after 1 hr in presence of NAD+
50000387	3	ChEMBL_1679342 (CHEMBL4029619)	Inhibition of recombinant human PARP2 expressed in Escherichia coli BL21(DE3) using histone as substrate measured after 1 hr in presence of biotinylated NAD+ by ELISA
50036478	6	ChEMBL_209252 (CHEMBL815693)	Concentration of compound required to inhibit agonist (SFFLRR-NH2, at 120 uM) induced platelet aggregation by 50%
50000388	1	ChEMBL_1679367 (CHEMBL4029644)	Inhibition of HDAC1 (unknown origin) using deacetylase fluorogenic substrate pretreated for 5 mins followed by substrate addition after 30 mins by fluorescence assay
50000389	1	ChEMBL_1679372 (CHEMBL4029649)	Inhibition of human PAD1 using BAEE as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay
50000389	2	ChEMBL_1679371 (CHEMBL4029648)	Inhibition of full length recombinant human N-terminal GST-tagged PAD4 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethylester as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay
50000389	3	ChEMBL_1679370 (CHEMBL4029647)	Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by colorimetric assay
50000390	1	ChEMBL_1679402 (CHEMBL4029679)	Inhibition of recombinant PIM1 (unknown origin) by pyruvate kinase/lactate dehydrogenase-coupled assay
50000390	2	ChEMBL_1679425 (CHEMBL4029702)	Inhibition of recombinant human full length N-terminal GST-tagged PIM1 expressed in Escherichia coli using LKKRNRTLTV as substrate measured after 40 mins in presence of [gamma32P]ATP by scintillation counting method
50000390	3	ChEMBL_1679428 (CHEMBL4029705)	Inhibition of human PIM1 using full-length BAD as substrate
50000390	4	ChEMBL_1679431 (CHEMBL4029708)	Inhibition of human PIM2 using full-length BAD as substrate
50000390	5	ChEMBL_1679430 (CHEMBL4029707)	Inhibition of P13Kalpha (unknown origin)
50036479	1	ChEMBL_71419 (CHEMBL685137)	Steroid binding against the rat thymus glucocorticoid receptor
50036480	4	ChEMBL_2579 (CHEMBL617601)	Binding affinity towards rat 5-hydroxytryptamine 2A receptor was evaluated using [3H]- ketanserin as radioligand
50036480	5	ChEMBL_58546 (CHEMBL667482)	Affinity towards Dopamine receptor D2 was evaluated in rat striatal membrane using [3H]spiperone as radioligand
50036481	1	ChEMBL_205199 (CHEMBL817369)	5 alpha- reductase inhibitory activity
50036481	3	ChEMBL_205201 (CHEMBL817371)	Compound was tested in vitro for inhibitory activity against type 1 5-alpha reductase Isozyme homogenated from rat epididymis
50036481	4	ChEMBL_205202 (CHEMBL815868)	Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase Isozyme homogenated from rat epididymis
50036481	5	ChEMBL_205203 (CHEMBL816477)	Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase isozyme homogenated from rat epididymis
50036482	1	ChEMBL_28625 (CHEMBL642295)	Inhibitory activity against Acetylcholinesterase
50036482	3	ChEMBL_27805 (CHEMBL636515)	Inhibitory activity against Acetylcholinesterase
50036482	4	ChEMBL_27793 (CHEMBL637620)	Inhibitory activity against Acetylcholinesterase
50000390	6	ChEMBL_1679429 (CHEMBL4029706)	Inhibition of human PIM3 using full-length BAD as substrate
50000391	1	ChEMBL_1679543 (CHEMBL4029820)	Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method
50000391	2	ChEMBL_1679548 (CHEMBL4029825)	Inhibition of full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method
50036483	1	ChEMBL_156362 (CHEMBL761692)	In vitro inhibition of rat secretory Phospholipase A2 (group II).
50036483	2	ChEMBL_156196 (CHEMBL767139)	In vitro inhibition of human recombinant secretory Phospholipase A2 (group II).
50036483	3	ChEMBL_156185 (CHEMBL760954)	In vitro inhibition of human recombinant secretory Phospholipase A2 (group I).
50000391	3	ChEMBL_1679547 (CHEMBL4029824)	Inhibition of ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method
50000391	4	ChEMBL_1679546 (CHEMBL4029823)	Inhibition of full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method
50036485	1	ChEMBL_35415 (CHEMBL643589)	Inhibitory activity at Angiotensin II type 2 receptor.
50036485	3	ChEMBL_35421 (CHEMBL643595)	Inhibition of Angiotensin II receptor, type 2
50036485	7	ChEMBL_35280 (CHEMBL647844)	Inhibitory activity was evaluated against Angiotensin II receptor, type 2
50000391	5	ChEMBL_1679545 (CHEMBL4029822)	Inhibition of CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting method
50036485	12	ChEMBL_35254 (CHEMBL647575)	Inhibition of Angiotensin II receptor, type 1
50036485	15	ChEMBL_35424 (CHEMBL643598)	Ki value was evaluated against Angiotensin II receptor, type 2
50000392	1	ChEMBL_1679581 (CHEMBL4029858)	Inhibition of recombinant human mPGES-1 expressed in CHO cells assessed as reduction in PGE2 formation using PGH2 a substrate preincubated for 10 mins followed by substrate addition measured after 1 min
50000392	2	ChEMBL_1679583 (CHEMBL4029860)	Inhibition of COX1 in human U937 cells assessed as decrease in PGE2 release using arachidonic acid as substrate preincubated for 15 mins followed by arachidonic acid addition measured after 5 mins
50000392	3	ChEMBL_1679582 (CHEMBL4029859)	Inhibition of mPGES-1 in human A549 cells assessed as decrease in IL1beta induced PGE2 release preincubated for 30 mins followed by IL-1beta addition after 16 to 20 hrs by HTRF method
50036485	21	ChEMBL_36776 (CHEMBL650298)	In vitro antagonistic potency against Angiotensin II receptor, type 1 in rat adrenal cortex
50036485	24	ChEMBL_36777 (CHEMBL883280)	Inhibitory activity was evaluated against Angiotensin II receptor, type 1 in bovine adrenal membrane
50036485	27	ChEMBL_35266 (CHEMBL648572)	Ki value was evaluated against Angiotensin II receptor, type 1
50036486	1	ChEMBL_65298 (CHEMBL676786)	Inhibitory activity against human Endothelial nitric oxide synthase
50036486	2	ChEMBL_143361 (CHEMBL880846)	Inhibitory activity against human Neuronal nitric oxide synthase
50036486	3	ChEMBL_89195 (CHEMBL878597)	Inhibitory activity against human inducible nitric oxide synthase
50000392	4	ChEMBL_1679584 (CHEMBL4029861)	Inhibition of recombinant human N-terminal His-tagged COX2 expressed in baculovirus infected Sf21 insect cells assessed as decrease in PGE2 release using arachidonic acid as substrate preincubated for 15 mins followed by arachidonic acid addition measured after 5 mins
50000393	1	ChEMBL_1679642 (CHEMBL4029919)	Inhibition of recombinant RET (unknown origin) using poly (Glu,Tyr) 4:1 substrate after 60 mins by ELISA
50000394	1	ChEMBL_1679672 (CHEMBL4029949)	Displacement of [3H]NMS from wild-type human mAChR2 expressed in Flp-in-CHO cell membranes in presence of mAChR2 agonist xanomeline after 90 mins by scintillation counting analysis
50000394	2	ChEMBL_1679681 (CHEMBL4029958)	Inhibition of recombinant full length BTK (unknown origin) using peptide substrate by capillary elctrophoresis
50000394	3	ChEMBL_1679678 (CHEMBL4029955)	Positive allosteric modulatory activity at recombinant human glycine alpha1 receptor expressed in HEK293 cells assessed as potentiation of glycine-induced response at -50 mV holding potential in presence of fructose by whole cell patch clamp method
50000394	4	ChEMBL_1679671 (CHEMBL4029948)	Displacement of [3H]NMS from wild-type human mAChR2 expressed in Flp-In-CHO cell membranes in presence of mAChR2 agonist acetylcholine after 90 mins by scintillation counting analysis
50000394	5	ChEMBL_1679668 (CHEMBL4029945)	Positive allosteric modulation at human GABA-B 1b expressed in CHO cells co-expressing rat GABA-B2 assessed as potentiation of GABA-induced inhibition of 7beta forskolin-stimulated cyclic AMP formation after 2 hrs in presence of 0.3 uM GABA relative to 100 uM GABA alone
50000395	1	ChEMBL_1679689 (CHEMBL4029966)	Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced YO-PRO-1 Iodide uptake measured every 30 secs for 1 hr by fluorescence assay
50000372	2	ChEMBL_1679694 (CHEMBL4029971)	Binding affinity to partial length human DNA-tagged CBP (R1081 to G1197 residues) expressed in bacterial expression system by qPCR analysis
50000372	1	ChEMBL_1679693 (CHEMBL4029970)	Inhibition of histone H4 tetraacetylated peptide binding to human CBP by Alphascreen assay
50000396	1	ChEMBL_1679699 (CHEMBL4029976)	Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by EIA
50000396	2	ChEMBL_1679700 (CHEMBL4029977)	Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme addition measured after 30 mins
50000396	3	ChEMBL_1679701 (CHEMBL4029978)	Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50036488	1	ChEMBL_59012 (CHEMBL669035)	Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells
50036488	2	ChEMBL_61462 (CHEMBL671443)	Equilibrium dissociation constant against recombinant Dopamine receptor D2A expressed in COS7 cells
50036488	3	ChEMBL_61461 (CHEMBL671442)	Equilibrium dissociation constant against recombinant Dopamine receptor D2A expressed in COS7 cells
50036488	4	ChEMBL_59146 (CHEMBL671028)	Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells
50036489	1	ChEMBL_61578 (CHEMBL675092)	In vitro inhibitory activity against [3H]raclopride binding to dopamine receptor D2
50036489	2	ChEMBL_862 (CHEMBL615918)	In vitro inhibitory activity against [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor
50000396	4	ChEMBL_1679695 (CHEMBL4029972)	Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50000396	5	ChEMBL_1679696 (CHEMBL4029973)	Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50000396	6	ChEMBL_1679702 (CHEMBL4029979)	Inhibition of hepatic CYP3A4 (unknown origin)
50036490	1	ChEMBL_220571 (CHEMBL841852)	Displacement of [3H]-clonidine from bovine imidazoline receptor I-1
50036490	2	ChEMBL_33063 (CHEMBL647962)	Binding affinity for human Alpha-2A adrenergic receptor
50036490	4	ChEMBL_33525 (CHEMBL648617)	Binding affinity for human Alpha-2C adrenergic receptor
50036490	5	ChEMBL_33380 (CHEMBL648741)	Binding affinity for rat Alpha-2B adrenergic receptor
50000396	7	ChEMBL_1679703 (CHEMBL4029980)	Inhibition of hepatic CYP2C9 (unknown origin)
50000396	8	ChEMBL_1679704 (CHEMBL4029981)	Inhibition of hepatic CYP2D6 (unknown origin)
50000396	9	ChEMBL_1679698 (CHEMBL4029975)	Inhibition of rat CYP11B2-1F4 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition measured for 3 hrs by HTRF assay
50036492	2	ChEMBL_35230 (CHEMBL647399)	Inhibitory activity against angiotensin I converting enzyme
50000397	1	ChEMBL_1679730 (CHEMBL4030007)	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition measured after 2 mins by enzyme-immunoassay
50000397	2	ChEMBL_1679729 (CHEMBL4030006)	Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition measured after 2 mins by enzyme-immunoassay
50000401	1	ChEMBL_1679734 (CHEMBL4030011)	Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay
50000401	2	ChEMBL_1679779 (CHEMBL4030056)	Inhibition of human ERG by PatchXpress method
50000401	3	ChEMBL_1679735 (CHEMBL4030012)	Displacement of [35S]MK499 from human ERG expressed in HEK293 cells
50036493	1	ChEMBL_28797 (CHEMBL641707)	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver
50036495	1	ChEMBL_53128 (CHEMBL665849)	Inhibitory activity against dehydroepiandrosterone sulfatase (DHA-STS)
50036495	2	ChEMBL_68176 (CHEMBL678313)	Inhibitory activity against Estrone sulfatase (E1-STS)
50036495	3	ChEMBL_67990 (CHEMBL679546)	Inhibitory activity against Estrone sulfatase (E1-STS) in MCF-7 breast cancer cells at 0.1 uM
50036497	1	ChEMBL_1220 (CHEMBL616172)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=2.2-3.2
50036497	2	ChEMBL_1215 (CHEMBL616167)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=16-20
50036497	4	ChEMBL_1214 (CHEMBL616166)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=12-14
50036497	5	ChEMBL_1224 (CHEMBL616176)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=240-760
50036497	6	ChEMBL_1223 (CHEMBL616175)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=21-28
50036497	7	ChEMBL_1216 (CHEMBL616168)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=160-430
50036497	8	ChEMBL_1403 (CHEMBL616191)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand; range=48-77
50036497	9	ChEMBL_1405 (CHEMBL616193)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=710-980
50036497	10	ChEMBL_1212 (CHEMBL615977)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand
50036497	11	ChEMBL_1404 (CHEMBL616192)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=63-95
50036497	12	ChEMBL_1213 (CHEMBL615978)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=100-230
50036497	13	ChEMBL_1226 (CHEMBL616178)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=4.6-5.2
50036497	15	ChEMBL_1219 (CHEMBL616171)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=19-23
50036497	17	ChEMBL_1406 (CHEMBL616194)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=78-140
50036497	18	ChEMBL_1407 (CHEMBL616195)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=85-130
50036497	19	ChEMBL_1408 (CHEMBL616196)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=89-280
50036497	20	ChEMBL_1222 (CHEMBL616174)	In vitro binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand; range=20-23
50000401	4	ChEMBL_1679755 (CHEMBL4030032)	Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method
50036498	1	ChEMBL_61818 (CHEMBL672582)	Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity for one set model)
50000401	5	ChEMBL_1679771 (CHEMBL4030048)	Inhibition of rat ROMK expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay
50000401	6	ChEMBL_1679764 (CHEMBL4030041)	Activity at PXR (unknown origin) assessed as CYP induction
50000401	7	ChEMBL_1679763 (CHEMBL4030040)	Inhibition of CYP2C8 (unknown origin)
50000401	8	ChEMBL_1679762 (CHEMBL4030039)	Inhibition of CYP2C9 (unknown origin)
50036498	6	ChEMBL_61687 (CHEMBL671772)	Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue
50000401	9	ChEMBL_1679760 (CHEMBL4030037)	Inhibition of CYP3A4 (unknown origin)
50000401	10	ChEMBL_1679759 (CHEMBL4030036)	Inhibition of Cav1.2 (unknown origin)
50000401	11	ChEMBL_1679758 (CHEMBL4030035)	Inhibition of Kir2.1 (unknown origin)
50000401	12	ChEMBL_1679756 (CHEMBL4030033)	Inhibition of human ERG by Qpatch electrophysiology method
50036500	2	ChEMBL_209703 (CHEMBL812810)	In vitro inhibitory activity against senktide-evoked increases in intracellular calcium levels in cloned human Tachykinin receptor 3 in CHO cell lines
50036500	3	ChEMBL_209546 (CHEMBL811278)	Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines
50036500	6	ChEMBL_205732 (CHEMBL809499)	Inhibitory activity against Tachykinin receptor 1 in human lymphoma IM9 cells labeled with [125I]Bolton-Hunter substance P
50036500	7	ChEMBL_209553 (CHEMBL811284)	Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
50036500	8	ChEMBL_209704 (CHEMBL812811)	Inhibitory activity against cloned human Tachykinin receptor 3 in CHO cells labeled with [125I][MePhe7]-NKB
50036500	11	ChEMBL_205733 (CHEMBL809500)	Inhibitory activity against Tachykinin receptor 1 in human lymphoma IM9 cells labeled with [125 I] Bolton-Hunter substance P
50000401	13	ChEMBL_1679785 (CHEMBL4030062)	Time dependent inhibition of CYP3A4 (unknown origin) in presence of NADPH
50000401	14	ChEMBL_1679765 (CHEMBL4030042)	Inhibition of human SERT
50000401	15	ChEMBL_1679761 (CHEMBL4030038)	Inhibition of CYP2D6 (unknown origin)
50000401	16	ChEMBL_1679733 (CHEMBL4030010)	Inhibition of Nav1.5 (unknown origin)
50000401	17	ChEMBL_1679786 (CHEMBL4030063)	Time dependent inhibition of CYP3A4 (unknown origin) in absence of NADPH
50000402	1	ChEMBL_1679898 (CHEMBL4030175)	Inhibition of PARP1 (unknown origin) using activated DNA as substrate measured after 60 mins in presence of biotinylated NAD by colorimetric assay
50000403	19	ChEMBL_1679899 (CHEMBL4030176)	Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50000403	1	ChEBML_1679899	Positive allosteric modulation of human M4 receptor expressed in CHO cells coexpressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50000403	3	ChEBML_1679911	Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilization
50000403	4	ChEBML_1679920	Activity at human M1 receptor
50000403	5	ChEBML_1679921	Activity at human M2 receptor
50000403	6	ChEBML_1679922	Activity at human M3 receptor
50000403	7	ChEBML_1679924	Activity at rat M1 receptor
50000403	8	ChEBML_1679925	Activity at rat M2 receptor
50000403	17	ChEMBL_1679938 (CHEMBL4030215)	Induction of CYP3A4 in cryopreserved human hepatocytes measured after 48 hrs
50000403	20	ChEMBL_1679904 (CHEMBL4030181)	Inhibition of CYP3A4 (unknown origin)
50000403	9	ChEMBL_1679901 (CHEMBL4030178)	Inhibition of CYP1A2 (unknown origin)
50000403	10	ChEBML_1679902	Inhibition of CYP2C9 (unknown origin)
50000403	11	ChEBML_1679903	Inhibition of CYP2D6 (unknown origin)
50000403	2	ChEBML_1679938	Induction of CYP3A4 in cryopreserved human hepatocytes measured after 48 hrs
50000403	12	ChEBML_1679926	Activity at rat M3 receptor
50000403	13	ChEBML_1679927	Activity at rat M5 receptor
50000403	14	ChEBML_1679936	Induction of CYP1A2 in cryopreserved human hepatocytes measured after 48 hrs
50000403	15	ChEBML_1679937	Induction of CYP2B6 in cryopreserved human hepatocytes measured after 48 hrs
50036502	1	ChEMBL_145552 (CHEMBL751016)	Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation.
50000403	16	ChEBML_1679923	Activity at human M5 receptor
50000403	18	ChEBML_1679930	Inhibition of human ERG
50000403	22	ChEMBL_1679902 (CHEMBL4030179)	Inhibition of CYP2C9 (unknown origin)
50000403	21	ChEMBL_1679911 (CHEMBL4030188)	Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced calcium mobilization
50000403	23	ChEMBL_1679903 (CHEMBL4030180)	Inhibition of CYP2D6 (unknown origin)
50000405	1	ChEBML_1680004	Inhibition of PTP1B (unknown origin) using pNPP as substrate pretreated for 10 mins followed by substrate addition measured after 20 mins by spectrophotometric method
50000406	1	ChEBML_1680033	Displacement of [3H]-neurotensin from human His6-tagged sortilin pretreated for 30 mins followed by [3H]-neurotensin addition after 6 hrs measured for 360 secs by SPA
50036503	15	ChEMBL_123507 (CHEMBL729169)	Inhibitory activity against human mineralocorticoid receptor (hMR)
50036503	17	ChEMBL_71382 (CHEMBL681734)	Inhibitory activity against human glucocorticoid receptor (hGR)
50000407	1	ChEBML_1680038	Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay
50000407	4	ChEMBL_1680040 (CHEMBL4030317)	Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay
50000407	2	ChEMBL_1680041 (CHEMBL4030318)	Antagonist activity at ETB receptor (unknown origin) expressed in membranes by radioligand assay
50000407	3	ChEBML_1680040	Antagonist activity at ETA receptor (unknown origin) expressed in membranes by radioligand assay
50000407	5	ChEMBL_1680038 (CHEMBL4030315)	Antagonist activity at ETB receptor (unknown origin) expressed in HEK293T cells measured after 30 mins by CCF4-AM dye based GeneBlazer FRET assay
50000408	1	ChEMBL_1680044 (CHEMBL4030321)	Binding affinity to human C-terminal His-tagged RAGE domain V (24 to 125 residues) expressed in Escherichia coli BL21(DE3) by tryptophan fluorescence assay
50036503	19	ChEMBL_123510 (CHEMBL873942)	Inhibitory activity against human mineralocorticoid receptor (hMR)
50000408	2	ChEBML_1680045	Binding affinity to Wistar rat His-tagged RAGE domain VC1 expressed in Escherichia coli by fluorescence titration method
50000408	3	ChEMBL_1680046 (CHEMBL4030323)	Binding affinity to human His-tagged RAGE domain VC1 expressed in Escherichia coli by fluorescence titration method
50000408	4	ChEMBL_1680048 (CHEMBL4030325)	Inhibition of amyloid beta binding to biotin-labeled human RAGE domain V after 60 mins by ELISA
50000408	10	ChEMBL_1680057 (CHEMBL4030334)	Inhibition of CML binding to RAGE (unknown origin) by ELISA
50000408	6	ChEMBL_1680052 (CHEMBL4030329)	Inhibition of S110B binding to RAGE (unknown origin) by ELISA
50000408	7	ChEMBL_1680053 (CHEMBL4030330)	Binding affinity to human RAGE domain V by autoradiography
50000408	8	ChEBML_1680057	Inhibition of CML binding to RAGE (unknown origin) by ELISA
50000408	9	ChEMBL_1680056 (CHEMBL4030333)	Inhibition of amyloid beta binding to RAGE (unknown origin) by ELISA
50000408	11	ChEMBL_1680058 (CHEMBL4030335)	Inhibition of S110B binding to human RAGE domain V expressed in CHO cells
50000408	12	ChEMBL_1680059 (CHEMBL4030336)	Inhibition of HMGB1 binding to human RAGE domain V expressed in CHO cells
50000408	5	ChEMBL_1680051 (CHEMBL4030328)	Displacement of [I125]amyloid beta (1 to 40) from human RAGE domain V expressed in CHO cells
50000408	13	ChEMBL_1680047 (CHEMBL4030324)	Inhibition of amyloid beta (1 to 42) binding to RAGE domain V (unknown origin) by fluorescence polarization assay
50000408	14	ChEMBL_1680054 (CHEMBL4030331)	Inhibition of amyloid beta binding to human RAGE domain V (Met1 to Ala 344 residues) expressed in HEK293 cells after 10 mins by MST assay
50000409	1	ChEBML_1680082	Inhibition of human HDAC5
50000409	2	ChEBML_1680081	Inhibition of human HDAC4
50000409	3	ChEBML_1680079	Inhibition of human HDAC2
50000409	4	ChEBML_1680078	Inhibition of human HDAC1
50000409	5	ChEBML_1680087	Inhibition of human HDAC10
50000409	6	ChEBML_1680086	Inhibition of human HDAC9
50000409	7	ChEBML_1680084	Inhibition of human HDAC7
50000409	8	ChEBML_1680083	Inhibition of human HDAC6
50000409	9	ChEBML_1680080	Inhibition of human HDAC3
50036507	1	ChEMBL_89811 (CHEMBL697549)	Concentration required for 50% inhibition of human Inosine-5'-monophosphate dehydrogenase 2 using Spectrophotometric assay
50000409	10	ChEBML_1680088	Inhibition of human HDAC11
50000409	11	ChEBML_1680085	Inhibition of human HDAC8
50000410	1	ChEBML_1680100	Binding affinity to recombinant human transthyretin expressed in Escherichia coli BL21 by STD-NMR spectroscopic method
50000413	1	ChEMBL_1680115 (CHEMBL4030392)	Binding affinity to CB1 receptor (unknown origin)
50000413	2	ChEMBL_1680114 (CHEMBL4030391)	Inhibition of CB2 receptor (unknown origin)
50000413	3	ChEMBL_1680113 (CHEMBL4030390)	Inhibition of CB1 receptor (unknown origin)
50000413	4	ChEBML_1680116	Binding affinity to CB2 receptor (unknown origin)
50000413	5	ChEBML_1680109	Agonist activity at human CB1 receptor expressed in mouse AtT-20 cells co expressing GIRK by FLIPR assay
50000413	6	ChEMBL_1680107 (CHEMBL4030384)	Displacement of [35S]GTPgammaS from human recombinant CB2 receptor expressed in CHO cells after 60 min by liquid scintillation spectrometry assay
50036510	1	ChEMBL_54059 (CHEMBL669632)	Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes
50000413	7	ChEMBL_1680116 (CHEMBL4030393)	Binding affinity to CB2 receptor (unknown origin)
50000413	8	ChEMBL_1680112 (CHEMBL4030389)	Activity at CB2 receptor (unknown origin)
50000414	1	ChEBML_1680152	Inhibition of human PDE4A4 expressed in sf9 cells
50000414	2	ChEBML_1680153	Inhibition of human PDE4B1 expressed in sf9 cells
50000414	3	ChEBML_1680154	Inhibition of human PDE4C1 expressed in sf9 cells
50000414	10	ChEMBL_1680139 (CHEMBL4030416)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50000414	5	ChEBML_1680156	Inhibition of human PDE4D3 expressed in sf9 cells
50000414	11	ChEMBL_1680183 (CHEMBL4030460)	Inhibition of P38 MAPKalpha in LPS-stimulated human whole blood assessed as decrease in TNFalpha level
50000414	6	ChEMBL_1680150 (CHEMBL4030427)	Inhibition of p38alpha MAPK (unknown origin)
50000414	7	ChEMBL_1680157 (CHEMBL4030434)	Inhibition of p38alpha MAPK (unknown origin) by beta-galactosidase enzyme complementation assay
50000414	4	ChEMBL_1680156 (CHEMBL4030433)	Inhibition of human PDE4D3 expressed in sf9 cells
50000414	8	ChEBML_1680183	Inhibition of P38 MAPKalpha in LPS-stimulated human whole blood assessed as decrease in TNFalpha level
50000415	1	ChEBML_1680432	Agonist activity at TLR7 in human PBMC assessed as induction of IFNalpha-mediated inhibition of HCV genotype 1b RNA replication in human HuH luc/neo replicon cells after 24 hrs by luciferase reporter gene assay
50000415	9	ChEMBL_1680433 (CHEMBL4030710)	Displacement of 3H-dofetilide from human ERG
50036513	5	ChEMBL_33451 (CHEMBL649176)	Binding affinity against Alpha-1 adrenergic receptor
50000415	3	ChEBML_1680434	Inhibition of 5-HT2A receptor (unknown origin)
50000415	4	ChEBML_1680437	Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS analysis
50000415	5	ChEBML_1680438	Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS analysis
50000415	6	ChEBML_1680439	Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC/MS analysis
50036513	7	ChEMBL_58327 (CHEMBL671943)	In vitro binding affinity against Dopamine receptor D1 from rat striatal membrane using [125I]-SCH as radioligand
50036513	8	ChEMBL_1876 (CHEMBL616473)	Binding affinity against 5-hydroxytryptamine 1C receptor
50036513	9	ChEMBL_2237 (CHEMBL617182)	Binding affinity against 5-hydroxytryptamine 2 receptor
50000415	7	ChEBML_1680436	Inhibition of CYP2C8 in human liver microsomes after 10 mins by LC/MS analysis
50000415	8	ChEBML_1680440	Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS analysis
50000416	1	ChEBML_1680604	Binding affinity to human recombinant UbcH5c by SPR analysis
50011230	22	ChEMBL_1998348 (CHEMBL4650205)	Reverse ITC (compound as receptor). Domain start/stop: G715-D831
50011230	23	ChEMBL_1998349 (CHEMBL4650206)	Reverse ITC (compound as receptor). Domain start/stop: L1451-E1580
50011230	24	ChEMBL_1998350 (CHEMBL4650207)	Reverse ITC (compound as receptor). Domain start/stop: R1398-D1524
50011230	25	ChEMBL_1998351 (CHEMBL4650208)	Reverse ITC (compound as receptor). Domain start/stop: D1522-D1656
50011230	26	ChEMBL_1998352 (CHEMBL4650209)	Reverse ITC (compound as receptor). Domain start/stop: M1401-D1522
50011230	27	ChEMBL_1998353 (CHEMBL4650210)	Reverse ITC (compound as receptor). Domain start/stop: G861-E979
50011231	1	ChEMBL_1998153 (CHEMBL4650010)	Alphascreen assay. Binding to BRD9A (domain start/stop: L14-Q143) by alphascreen assay
50011231	2	ChEMBL_1998338 (CHEMBL4650195)	Homogeneous Time Resolved Fluorescence (HTRF) assay. Domain start/stop: L14-Q143
50036514	1	ChEMBL_35868 (CHEMBL652036)	Dissociation constant for Antithrombin-III
50036514	2	ChEMBL_207988 (CHEMBL816071)	Inhibition of Thrombin generation was determined
50036515	1	ChEMBL_196553 (CHEMBL801948)	concentration dependent inhibition of S-Adenosyl-homocysteine hydrolase was determined by Kitz and Wilson method
50036516	1	ChEMBL_1449 (CHEMBL616573)	Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes.
50036516	2	ChEMBL_1202 (CHEMBL615968)	In vitro binding affinity against 5-hydroxytryptamine 1A receptor of rat cerebral cortex using [3H]8-OH-DPAT as radioligand.
50036517	1	ChEMBL_148519 (CHEMBL758129)	The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.
50036517	2	ChEMBL_145567 (CHEMBL749571)	The compound tested for agonistic activity against Opioid receptor kappa 1 using [3H]U-69,594 as the radioligand.
50036517	3	ChEMBL_145965 (CHEMBL752816)	The compound tested for agonistic activity against Opioid receptor kappa 1 as the [3H]- U-69,594 radioligand.
50036517	5	ChEMBL_146345 (CHEMBL753794)	The compound tested for agonistic activity against Opioid receptor delta 1 using [3H]- NT1 as the radioligand.
50036517	6	ChEMBL_149329 (CHEMBL756363)	The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.
50036517	7	ChEMBL_146347 (CHEMBL873930)	The compound tested for agonistic activity against [3H]- NT1 (Opioid receptor delta 1) opioid receptor
50011244	1	ChEMBL_2012780 (CHEMBL4666358)	Inhibition of human recombinant PGAM1 by measuring decrease in OD by enzyme based assay
50011247	1	ChEMBL_2012854 (CHEMBL4666432)	Inhibition of recombinant human N-terminal GST-tagged MNK2 (1 to 465 residues) expressed in baculovirus expression system using TATKSGSTTKNR as substrate preincubated for 10 mins followed by ATP addition and measured after 40 mins by luminescence based assay
50036519	3	ChEMBL_27486 (CHEMBL633814)	Displacement of [3H]CHA from Adenosine A1 receptor
50011247	2	ChEMBL_2012855 (CHEMBL4666433)	Inhibition of recombinant human N-terminal DYKDDDDK-tagged MNK1(1 to 424 residues) expressed in baculovirus expression system using TATKSGSTTKNR as substrate preincubated for 10 mins followed by ATP addition and measured after 40 mins by luminescence based assay
50036519	11	ChEMBL_156333 (CHEMBL760135)	Inhibition of Phosphodiesterase 2
50036520	1	ChEMBL_70311 (CHEMBL678016)	Displacement of L-736,622 from purified resting Fibrinogen Receptor
50036520	2	ChEMBL_82012 (CHEMBL691878)	Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to fibronectin
50036520	3	ChEMBL_82011 (CHEMBL691877)	Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to fibrinogen (FG)
50011248	1	ChEMBL_2012965 (CHEMBL4666543)	Inhibition of self-induced aggregation amyloid beta (1 to 42) (unknown origin) assessed as reduction in fibril formation incubated for 24 hrs by Thioflavin T based fluorometric assay
50011249	1	ChEMBL_2013168 (CHEMBL4666746)	Agonist activity at human Gal4 fused PPARalpha LBD (unknown origin) expressed in COS-7 cells incubated for 24 hrs by firefly luciferase assay
50036522	1	ChEMBL_89177 (CHEMBL700496)	Inhibitory activity against human inducible nitric oxide synthase (iNOS).
50036522	2	ChEMBL_65317 (CHEMBL678090)	Inhibitory activity against human vascular endothelial nitric oxide synthase.
50036522	3	ChEMBL_143376 (CHEMBL880847)	Inhibitory activity against human neuronal nitric oxide synthase in brain (nNOS).
50036523	1	ChEMBL_4202 (CHEMBL620004)	Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production
50036523	2	ChEMBL_90070 (CHEMBL701321)	Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187).
50036524	1	ChEMBL_145562 (CHEMBL752651)	Binding affinity against Opioid receptor kappa 1 binding in ICR mouse brain membranes using the radioligand [3H]U-69593
50036524	2	ChEMBL_146320 (CHEMBL757529)	Binding affinity against Opioid receptor delta 1 receptor binding in ICR mouse brain membranes using the radioligand [3H]naltrindole
50036524	3	ChEMBL_148397 (CHEMBL759359)	Binding affinity against Opioid receptor mu 1 binding in ICR mouse brain membranes using the radioligand [3H][Ala2,Glyol5]enkephalin
50000419	1	ChEBML_1680679	Agonist activity at human GPCR41 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method
50000419	2	ChEBML_1680678	Agonist activity at human GPCR43 transfected in HEK293 cells assessed as [35S]GTPgammaS binding by scintillation counting method
50000420	2	ChEMBL_1680721 (CHEMBL4030998)	Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase reporter gene assay
50036526	2	ChEMBL_70182 (CHEMBL857384)	Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor
50036526	3	ChEMBL_89282 (CHEMBL697910)	Inhibition of [125I]fibrinogen binding to activated human platelets
50000421	1	ChEBML_1680830	Binding affinity to eIF4E (unknown origin) by fluorescence titration assay
50000422	1	ChEBML_1680835	Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay
50000422	2	ChEMBL_1680835 (CHEMBL4031112)	Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay
50000423	1	ChEBML_1680859	Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-incubated for 10 mins followed by ATP addition measured after 20 mins by ELISA
50000423	2	ChEBML_1680860	Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 mins followed by ATP addition measured after 20 mins by ELISA
50036529	1	ChEMBL_63196 (CHEMBL679799)	Inhibition of binding to Endothelin A receptor of rabbit renal vascular smooth muscle cells
50036529	2	ChEMBL_64179 (CHEMBL671686)	Inhibition of binding to Endothelin B receptor of rat cerebellar membranes.
50036529	3	ChEMBL_64178 (CHEMBL671685)	Inhibitory concentration was evaluated by measuring the binding affinity at the Endothelin B receptor in rat cerebellar membranes
50036530	5	ChEMBL_200526 (CHEMBL806596)	Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5
50000424	1	ChEBML_1680903	Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presence of ATP and GTP after 30 mins by mass spectrometric analysis
50000424	5	ChEMBL_1680903 (CHEMBL4031180)	Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presence of ATP and GTP after 30 mins by mass spectrometric analysis
50000424	2	ChEMBL_1680902 (CHEMBL4031179)	Binding affinity to human cGAS (2 to 522 residues) expressed in Sf9 insect cells by surface plasmon resonance assay
50000424	3	ChEMBL_1680905 (CHEMBL4031182)	Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDNA stimulation for 12 hrs by luciferase reporter gene assay
50000424	4	ChEMBL_1680904 (CHEMBL4031181)	Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presence of ATP and GTP incubated for 1 hr followed by Cy5-labeled cGAMP addition measured after 1 hr by fluorescence polarization assay
50036533	1	ChEMBL_123276 (CHEMBL731797)	Inhibition of Monoamine oxidase A (MAO A) in rat brain.
50036533	2	ChEMBL_123274 (CHEMBL731795)	Inhibition of Monoamine oxidase A (MAO A) in rat brain at 10 uM
50036533	3	ChEMBL_124226 (CHEMBL733981)	Inhibition of Monoamine oxidase B (MAO B) in rat brain.
50036533	4	ChEMBL_123275 (CHEMBL731796)	Inhibition of Monoamine oxidase A (MAO A) in rat brain at 1 uM
50000425	1	ChEBML_1680918	Displacement of fluormone labelled AL green from rat recombinant His/GST-tagged androgen receptor LBD after 4 to 6 hrs by fluorescence polarization assay
50000425	10	ChEMBL_1680907 (CHEMBL4031184)	Transrepression of glucocorticoid receptor in PMA-stimulated human ChaGoK1 cells expressing TRE-LacZ construct assessed as inhibition of AP-1 mediated TRE-LacZ activity after 24 hrs by beta-galactosidase reporter gene assay
50000425	2	ChEBML_1680909	Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by LPS addition measured after 18 hrs by ELISA
50000425	9	ChEMBL_1680909 (CHEMBL4031186)	Transrepression of glucocorticoid receptor in human PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by LPS addition measured after 18 hrs by ELISA
50000425	3	ChEMBL_1680919 (CHEMBL4031196)	Displacement of fluormone labelled GS Red from human recombinant glucocorticoid receptor after 2 hrs by fluorescence polarization assay
50000425	4	ChEBML_1680921	Displacement of fluormone labelled EL Red from human recombinant estrogen receptor beta after 1 to 5 hrs by fluorescence polarization assay
50000425	5	ChEBML_1680920	Displacement of fluormone labelled EL Red from human recombinant estrogen receptor alpha after 1 to 5 hrs by fluorescence polarization assay
50000425	6	ChEBML_1680917	Displacement of [3H]-aldosterone from N terminal maltose binding protein tagged human mineralocorticoid receptor LBD (726 to 984 residues) expressed in baculovirus infected high five cells after 8 hrs by scintillation proximity assay
50000425	7	ChEBML_1680911	Transrepression of glucocorticoid receptor in Wistar rat PBMC assessed as inhibition of LPS induced TNF alpha release preincubated for 45 mins followed by LPS addition measured after 18 hrs by ELISA
50000425	8	ChEBML_1680922	Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay
50036537	12	ChEMBL_31345 (CHEMBL645716)	Saturation binding of wild type human Adenosine A2A receptor at pH 8.4
50036540	1	ChEMBL_143343 (CHEMBL752260)	Inhibition of Neuronal Nitric oxide synthase enzyme (nNOS)
50036540	2	ChEMBL_89178 (CHEMBL700497)	Inhibition of inducible Nitric Oxide Synthase
50036540	3	ChEMBL_65144 (CHEMBL678112)	Inhibition of endothelial isoform of nitric oxide synthase
50036540	4	ChEMBL_143341 (CHEMBL752258)	Compound was evaluated for the inhibition of Neuronal Nitric oxide synthase enzyme (nNOS).
50036541	1	ChEMBL_3795 (CHEMBL619870)	Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectrophotometric assay
50036541	2	ChEMBL_3794 (CHEMBL619869)	Compound was evaluated for the potency to inhibit oxidation of arachidonic acid by human recombinant 5-Lipoxygenase using a spectrophotometric assay
50036542	1	ChEMBL_37036 (CHEMBL650832)	In vitro displacement of [3H]PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex
50036543	1	ChEMBL_148675 (CHEMBL751049)	Binding affinity for Opioid receptor mu 1 by the inhibition of binding of [3H]DAMGO in rat brain membranes.
50036543	3	ChEMBL_146756 (CHEMBL753484)	Binding affinity for Opioid receptor delta 1 by the inhibition of binding of [3H]DADAL in rat brain membranes.
50036543	4	ChEMBL_148066 (CHEMBL754684)	Binding affinity for micro receptors by the inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in human cloned receptors.
50036543	6	ChEMBL_145184 (CHEMBL754284)	Binding affinity for Opioid receptor delta 1 by the inhibition of binding of [3H]DADAL in rat brain membranes.
50000426	1	ChEMBL_1680984 (CHEMBL4031261)	Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp
50000426	5	ChEMBL_1680967 (CHEMBL4031244)	Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp
50000426	6	ChEMBL_1680965 (CHEMBL4031242)	Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.9 by two electrode voltage clamp
50000426	4	ChEBML_1680987	Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp
50000426	2	ChEMBL_1680966 (CHEMBL4031243)	Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.7 by two electrode voltage clamp
50036543	7	ChEMBL_145183 (CHEMBL754283)	Binding affinity for Opioid receptor delta 1 as inhibition of [3H]DADAL binding to rat brain membranes
50036544	1	ChEMBL_149142 (CHEMBL759233)	Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes
50036544	2	ChEMBL_147182 (CHEMBL754481)	Opioid receptor delta 1 binding affinity by displacement of radioligand [3H][D-Pen]-enkephalin (DPDPE) from rat brain membrane synaptosomes
50036545	1	ChEMBL_213758 (CHEMBL817160)	Inhibition of Ha-Ras processing in whole cells
50036545	2	ChEMBL_70732 (CHEMBL680525)	Activity against rat brain Farnesyltransferase
50036545	3	ChEMBL_70757 (CHEMBL682844)	Activity against Farnesyltransferase
50036545	4	ChEMBL_141209 (CHEMBL748975)	Inhibition of Ras processing
50036545	5	ChEMBL_70139 (CHEMBL680251)	Activity against bovine Farnesyltransferase
50000426	3	ChEBML_1680967	Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes at pH 6.4 by two electrode voltage clamp
50000427	1	ChEBML_1681013	Binding affinity to Plasmodium falciparum 3D7 HDP assessed as equilibrium dissociation constant by SPR assay
50036545	7	ChEMBL_226199 (CHEMBL843325)	Inhibition of Ras processing in v-Ras-transformed cells
50000428	1	ChEBML_1681025	Inhibition of C-terminal FLAG His tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 cells using RHKKAc as substrate in presence of ATP
50000428	2	ChEBML_1681050	Inhibition of C-terminal His tagged human recombinant HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells in presence of ATP
50036545	9	ChEMBL_70752 (CHEMBL682840)	Activity against yeast Farnesyltransferase
50036545	10	ChEMBL_70292 (CHEMBL679529)	Activity against human Farnesyltransferase
50036545	11	ChEMBL_70290 (CHEMBL856166)	Activity against Ras Farnesyltransferase from Burkett's lymphoma.
50036545	12	ChEMBL_70759 (CHEMBL682846)	Inhibition of H-Ras Farnesyltransferase
50036545	13	ChEMBL_71818 (CHEMBL683649)	Activity against Geranylgeranyl transferase type I
50036545	14	ChEMBL_69838 (CHEMBL681889)	Inhibitory activity against farnesyl pyrophosphate
50036545	15	ChEMBL_70730 (CHEMBL680523)	Activity against rat Farnesyltransferase
50036545	16	ChEMBL_70282 (CHEMBL679601)	Inhibition of bovine Farnesyltransferase
50036545	17	ChEMBL_70731 (CHEMBL680524)	Activity against rat Farnesyltransferase
50000428	3	ChEBML_1681049	Inhibition of human HDAC10 using fluorogenic peptide from p53 residues 379 to 382 as substrate in presence of ATP
50036545	18	ChEMBL_70291 (CHEMBL679528)	Activity against Ras Farnesyltransferase from human colon carcinoma
50036545	19	ChEMBL_70760 (CHEMBL682847)	Inhibitory activity against Ras Farnesyltransferase
50000428	4	ChEBML_1681022	Inhibition of HDAC9 (unknown origin) in presence of ATP
50036545	20	ChEMBL_70722 (CHEMBL680515)	Activity against pig Farnesyltransferase
50000428	5	ChEBML_1681021	Inhibition of C-terminal His tagged human recombinant HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells in presence of ATP
50036545	21	ChEMBL_76421 (CHEMBL685868)	Inhibition of Ras-processing in H-Ras transformed NIH3T3 fibroblasts
50000428	6	ChEBML_1681048	Inhibition of N-terminal GST tagged human recombinant HDAC7 (518 to 991 residues) expressed in Baculovirus infected insect cells in presence of ATP
50000428	7	ChEBML_1681047	Inhibition of C-terminal His tagged human recombinant HDAC5 (657 to 1123 residues) expressed in Baculovirus infected insect cells in presence of ATP
50000428	18	ChEMBL_1681028 (CHEMBL4031305)	Inhibition of human JAK2 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATP
50000428	9	ChEBML_1681044	Inhibition of C-terminal GST tagged human recombinant HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells in presence of ATP
50000428	10	ChEBML_1681027	Inhibition of N-terminal GST tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHKKAc as substrate in presence of ATP
50000428	11	ChEBML_1681028	Inhibition of human JAK2 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATP
50000428	12	ChEBML_1681032	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of [gamma-33P]-ATP
50000428	13	ChEBML_1681031	Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of [gamma-33P]-ATP
50000428	14	ChEBML_1681030	Inhibition of human JAK1 using poly[Glu:Tyr] as substrate in presence of [gamma-33P]-ATP
50000428	15	ChEMBL_1681029 (CHEMBL4031306)	Binding affinity to N-terminal His tagged human recombinant JAK2 (1014 to 1132 residues) expressed in Escherichia coli after 60 to 90 mins by LC/MS analysis
50000428	16	ChEMBL_1681091 (CHEMBL4031368)	Binding affinity to N-terminal His tagged human recombinant JAK2 (1014 to 1132 residues) expressed in Escherichia coli after 300 mins by LC/MS analysis
50000428	17	ChEMBL_1681045 (CHEMBL4031322)	Inhibition of human recombinant HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in Baculovirus infected insect cells in presence of ATP
50036548	4	ChEMBL_92236 (CHEMBL703581)	Inhibitory activity against Kallikrein (PK)
50036548	6	ChEMBL_92378 (CHEMBL701591)	Inhibitory activity against glandular kallikrein (GK)
50036548	7	ChEMBL_27847 (CHEMBL642272)	Inhibitory activity against Activated protein C
50036548	8	ChEMBL_155245 (CHEMBL764734)	Inhibitory activity against Plasmin.
50036548	9	ChEMBL_212986 (CHEMBL817007)	Inhibitory activity against UK.
50036548	10	ChEMBL_208245 (CHEMBL815722)	Inhibitory activity against single-chain tissue-type plasminogen activator (sc-tissue plasminogen activator)
50036548	11	ChEMBL_49154 (CHEMBL663254)	Inhibitory activity against Coagulation factor XII
50036548	12	ChEMBL_212987 (CHEMBL817008)	Inhibitory activity against urokinase (UK )
50036548	13	ChEMBL_210596 (CHEMBL816563)	Inhibitory activity against thrombin.
50036548	14	ChEMBL_92237 (CHEMBL703582)	Inhibitory activity against plasma kallikrein (PK.)
50036549	3	ChEMBL_149334 (CHEMBL756438)	Agonist activity for Opioid receptor mu 1
50036549	5	ChEMBL_145056 (CHEMBL753990)	Agonist activity for Opioid receptor delta 1
50036550	1	ChEMBL_39448 (CHEMBL653024)	Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor
50036550	2	ChEMBL_39449 (CHEMBL653025)	Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor
50036550	3	ChEMBL_217276 (CHEMBL824292)	Potentiation of GABA-evoked Cl- currents in Xenopus oocytes expressing human alpha-2-beta-2-gamma-2 subunits
50000429	3	ChEMBL_1681098 (CHEMBL4031375)	Inhibition of C-terminal tagged human recombinant MMP13 catalytic domain expressed in Escherichia coli using (5-FAM/QX) FRET peptide as substrate by fluorescence assay
50000429	2	ChEBML_1681097	Inhibition of MMP10 (unknown origin) assessed using (5-FAM/QX) FRET peptide as substrate by fluorescence assay
50000429	4	ChEMBL_1681097 (CHEMBL4031374)	Inhibition of MMP10 (unknown origin) assessed using (5-FAM/QX) FRET peptide as substrate by fluorescence assay
50000429	1	ChEBML_1681098	Inhibition of C-terminal tagged human recombinant MMP13 catalytic domain expressed in Escherichia coli using (5-FAM/QX) FRET peptide as substrate by fluorescence assay
50000430	34	ChEMBL_1681133 (CHEMBL4031410)	Inhibition of full length recombinant human His-tagged CDK7/Cyclin H/MNAT1 expressed in Baculovirus expression system by Z'Lyte assay
50000430	29	ChEMBL_1681209 (CHEMBL4031486)	Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of STAT5 phosphorylation at Tyr694 site after 4 hrs by immunoblotting analysis
50000430	7	ChEMBL_1681215 (CHEMBL4031492)	Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of Akt phosphorylation at Thr308/Ser473 site after 4 hrs by immunoblotting analysis
50000430	3	ChEMBL_1681210 (CHEMBL4031487)	Inhibition of FLT3 in human MOLM13 cells assessed as inhibition of ERK phosphorylation at Thr202/Tyr204 site after 4 hrs by immunoblotting analysis
50000430	5	ChEMBL_1681212 (CHEMBL4031489)	Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of ERK phosphorylation at Thr202/Tyr204 site after 4 hrs by immunoblotting analysis
50000430	6	ChEMBL_1681214 (CHEMBL4031491)	Inhibition of FLT3 in human MOLM14 cells assessed as inhibition of Akt phosphorylation at Thr308/Ser473 site after 4 hrs by immunoblotting analysis
50000430	1	ChEMBL_1681207 (CHEMBL4031484)	Inhibition of FLT3 in human MOLM13 cells assessed as inhibition of STAT5 phosphorylation at Tyr694 site after 4 hrs by immunoblotting analysis
50000430	8	ChEMBL_1681165 (CHEMBL4031442)	Binding affinity to DDR1 (unknown origin) by KinomeSCan assay
50000430	9	ChEMBL_1681167 (CHEMBL4031444)	Binding affinity to FLT4 (unknown origin) by KinomeSCan assay
50000430	10	ChEMBL_1681168 (CHEMBL4031445)	Binding affinity to PDGFRalpha (unknown origin) by KinomeSCan assay
50000430	11	ChEMBL_1681169 (CHEMBL4031446)	Binding affinity to PDGFRbeta (unknown origin) by KinomeSCan assay
50000430	12	ChEMBL_1681171 (CHEMBL4031448)	Binding affinity to KIT (unknown origin) by KinomeSCan assay
50000430	13	ChEMBL_1681172 (CHEMBL4031449)	Binding affinity to CSF1R (unknown origin) by KinomeSCan assay
50000430	35	ChEMBL_1681138 (CHEMBL4031415)	Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in Baculovirus expression system by Z'Lyte assay
50000430	15	ChEBML_1681130	Inhibition of BTK (unknown origin) using poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50036553	1	ChEMBL_208415 (CHEMBL821422)	Inhibit supercoil relaxation property of topoisomerase I.
50000430	16	ChEBML_1681134	Inhibition of cKIT (unknown origin) using poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50000430	17	ChEBML_1681168	Binding affinity to PDGFRalpha (unknown origin) by KinomeSCan assay
50000430	18	ChEMBL_1681137 (CHEMBL4031414)	Inhibition of RET (unknown origin) using poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50000430	4	ChEMBL_1681211 (CHEMBL4031488)	Inhibition of FLT3 in human MOLM4 cells assessed as inhibition of ERK phosphorylation at Thr202/Tyr204 site after 4 hrs by immunoblotting analysis
50000430	36	ChEMBL_1681213 (CHEMBL4031490)	Inhibition of FLT3 in human MOLM13 cells assessed as inhibition of Akt phosphorylation at Thr308/Ser473 site after 4 hrs by immunoblotting analysis
50000430	21	ChEBML_1681140	Inhibition of recombinant human His-tagged CSF1R (538 to 910 residues) expressed in Baculovirus expression system by Z'Lyte assay
50000430	22	ChEBML_1681141	Inhibition of GST-tagged human DDR1 (440 to 876 residues) expressed in Baculovirus expression system by Z'Lyte assay
50000430	23	ChEBML_1681167	Binding affinity to FLT4 (unknown origin) by KinomeSCan assay
50000430	24	ChEBML_1681144	Inhibition of full length recombinant human His-tagged LCK expressed in Baculovirus expression system by Z'Lyte assay
50000430	25	ChEBML_1681145	Inhibition of full length recombinant human GST-tagged MKNK2 expressed in Baculovirus expression system by Z'Lyte assay
50000430	14	ChEMBL_1681131 (CHEMBL4031408)	Inhibition of human HL60 cells-derived His-tagged FLT3 (564 to 993 residues) expressed in baculovirus infected sf9 cells using poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50000430	26	ChEMBL_1681166 (CHEMBL4031443)	Binding affinity to DDR2 (unknown origin) by KinomeSCan assay
50000430	27	ChEBML_1681137	Inhibition of RET (unknown origin) using poly (4:1 Glu, Tyr) as substrate after 1 hr by ADP-Glo kinase assay
50000430	28	ChEBML_1681173	Binding affinity to FLT1 (unknown origin) by KinomeSCan assay
50000430	2	ChEMBL_1681208 (CHEMBL4031485)	Inhibition of FLT3 in human MOLM14 cells assessed as inhibition of STAT5 phosphorylation at Tyr694 site after 4 hrs by immunoblotting analysis
50000430	31	ChEBML_1681169	Binding affinity to PDGFRbeta (unknown origin) by KinomeSCan assay
50000430	32	ChEBML_1681139	Inhibition of human GST-tagged CDK11 by Z'Lyte assay
50000430	33	ChEBML_1681142	Inhibition of GST-tagged human DDR2 (427 to 855 residues) expressed in Baculovirus expression system by Z'Lyte assay
50036555	3	ChEMBL_145903 (CHEMBL750392)	Inv itro antagonist activity against Opioid receptor delta 1 in the presence of 30 nM naltrindole, in a mouse vas deferens assay
50000431	1	ChEBML_1681251	Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000431	2	ChEBML_1681279	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000431	3	ChEBML_1681250	Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000431	4	ChEBML_1681280	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000432	1	ChEBML_1681323	Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay
50000432	2	ChEMBL_1681326 (CHEMBL4031603)	Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic complementation based assay
50000432	3	ChEBML_1681326	Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic complementation based assay
50036556	2	ChEMBL_161770 (CHEMBL857419)	Observed inhibition activity of the compounds against protein phosphatases 1 (PP1)
50036556	4	ChEMBL_161939 (CHEMBL769193)	Observed inhibition activity against protein phosphatase 2A (PP2A)
50036556	6	ChEMBL_161940 (CHEMBL769194)	Observed inhibition activity of the compounds against protein phosphatases 2A (PP2A)
50036556	7	ChEMBL_161791 (CHEMBL768165)	Observed inhibition activity of the compounds against protein phosphatases 2A (PP2A)
50036557	1	ChEMBL_200027 (CHEMBL810716)	In vitro inhibitory concentration against Selectin P in a cell-free binding assay
50000432	5	ChEMBL_1681320 (CHEMBL4031597)	Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay
50000432	4	ChEBML_1681317	Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay
50036561	4	ChEMBL_199995 (CHEMBL810879)	Blocking activity using selectin-IgG chimeras in a Selectin L competitive binding assay.
50036561	5	ChEMBL_200023 (CHEMBL810712)	Blocking activity using selectin-IgG chimeras in a Selectin P competitive binding assay.
50036562	14	ChEMBL_59631 (CHEMBL670823)	Percentage of receptor in the high affinity form for the compound to Dopamine receptor D2 in presence of Gpp(NH)p (pretreated with 100 nM)
50000433	1	ChEBML_1681382	Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay
50000433	2	ChEBML_1681383	Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay
50036564	1	ChEMBL_90444 (CHEMBL698076)	Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells
50036564	2	ChEMBL_90141 (CHEMBL878883)	Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 1 expressed in HEK293 cells
50036564	3	ChEMBL_90152 (CHEMBL696974)	Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 2 expressed in HEK293 cells
50036564	4	ChEMBL_90301 (CHEMBL878454)	Displacement of [3H]AMPA from human Ionotropic glutamate receptor AMPA 4 expressed in HEK293 cells
50036564	5	ChEMBL_90128 (CHEMBL700581)	Potency on Ionotropic glutamate receptor AMPA in hippocampal neurons
50036564	6	ChEMBL_88653 (CHEMBL702868)	Potency on Ionotropic glutamate receptor kainate in dorsal root ganglion cells
50036565	1	ChEMBL_2807 (CHEMBL617659)	Inhibition of radiolabeled [3H]-Ketanserin ligand binding to 5-hydroxytryptamine 2C receptor
50036565	2	ChEMBL_3170 (CHEMBL617698)	Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor of rat cortical homogenate.
50036565	3	ChEMBL_3333 (CHEMBL619033)	Inhibition of radiolabeled [3H]GR-113808 ligand binding to 5-hydroxytryptamine 4 receptor
50036565	4	ChEMBL_1780 (CHEMBL616754)	Inhibition of radiolabeled [3H]-5-HT ligand binding to 5-hydroxytryptamine 1B receptor
50036565	5	ChEMBL_871 (CHEMBL615926)	Inhibition of radiolabeled [3H]-8-OH-DPAT ligand binding to 5-hydroxytryptamine 1A receptor
50036565	6	ChEMBL_2808 (CHEMBL617838)	Inhibition of radiolabeled [3H]mesulergine ligand binding to 5-hydroxytryptamine 2C receptor
50036565	7	ChEMBL_2590 (CHEMBL617458)	Inhibition of radiolabeled [3H]-Ketanserin ligand binding to 5-hydroxytryptamine 2A receptor
50036566	2	ChEMBL_92238 (CHEMBL703583)	Inhibitory activity against serine protease plasma kallikrein
50036566	3	ChEMBL_48816 (CHEMBL661217)	Inhibitory activity against serine protease Coagulation factor X
50036566	6	ChEMBL_208240 (CHEMBL872720)	Inhibitory activity against serine protease TPA
50036566	7	ChEMBL_155252 (CHEMBL764405)	Inhibitory activity against serine protease plasmin
50000433	5	ChEMBL_1681411 (CHEMBL4031688)	Competitive inhibition of human MDH2 using oxaloacetic acid as substrate in presence of NADH after 30 mins by double reciprocal plot analysis
50000433	8	ChEMBL_1681382 (CHEMBL4031659)	Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay
50000433	9	ChEMBL_1681383 (CHEMBL4031660)	Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay
50000433	4	ChEBML_1681384	Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by HRE dual-luciferase reporter gene assay
50036567	1	ChEMBL_106196 (CHEMBL884501)	Effect on Metabotropic glutamate receptor 2
50036567	2	ChEMBL_106691 (CHEMBL714672)	Effect on Metabotropic glutamate receptor 4
50036567	3	ChEMBL_106390 (CHEMBL717245)	Effect on Metabotropic glutamate receptor 3
50036567	4	ChEMBL_105720 (CHEMBL719087)	Effect on Metabotropic glutamate receptor 1
50036567	5	ChEMBL_104459 (CHEMBL712802)	Effect on Metabotropic glutamate receptor 6
50036567	6	ChEMBL_104482 (CHEMBL712463)	Effect on Metabotropic glutamate receptor 7
50036567	7	ChEMBL_104283 (CHEMBL711718)	Effect on Metabotropic glutamate receptor 5
50000433	6	ChEBML_1681405	Inhibition of MDH2 (unknown origin)
50000433	10	ChEMBL_1681407 (CHEMBL4031684)	Inhibition of PKC (unknown origin)
50000433	7	ChEMBL_1681404 (CHEMBL4031681)	Inhibition of MDH1 (unknown origin)
50000433	3	ChEBML_1681382	Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay
50000434	1	ChEBML_1681424	Inhibition of mouse BGT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	16	ChEMBL_1681424 (CHEMBL4031701)	Inhibition of mouse BGT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	2	ChEBML_1681420	Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	3	ChEBML_1681422	Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	4	ChEBML_1681419	Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	5	ChEBML_1681426	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	10	ChEMBL_1681460 (CHEMBL4031737)	Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	6	ChEBML_1681425	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	7	ChEBML_1681423	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	8	ChEBML_1681421	Inhibition of human GAT2 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	17	ChEMBL_1681420 (CHEMBL4031697)	Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	18	ChEMBL_1681426 (CHEMBL4031703)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	19	ChEMBL_1681425 (CHEMBL4031702)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	20	ChEMBL_1681421 (CHEMBL4031698)	Inhibition of human GAT2 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	21	ChEMBL_1681419 (CHEMBL4031696)	Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	9	ChEMBL_1681459 (CHEMBL4031736)	Inhibition of human BGT1/human GAT3 chimera B expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	12	ChEMBL_1681415 (CHEMBL4031692)	Inhibition of mouse GAT1 expressed in hamster BHK cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	13	ChEMBL_1681416 (CHEMBL4031693)	Inhibition of mouse GAT2 expressed in hamster BHK cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	14	ChEMBL_1681417 (CHEMBL4031694)	Inhibition of mouse GAT3 expressed in hamster BHK cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50000434	11	ChEMBL_1681461 (CHEMBL4031738)	Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50036571	1	ChEMBL_72758 (CHEMBL682573)	Inhibition of Glutathionylspermidine synthetase
50036571	2	ChEMBL_72760 (CHEMBL682574)	Inhibition of Glutathionylspermidine synthetase. Values from different publications.
50036573	1	ChEMBL_65145 (CHEMBL678113)	Compound was tested for binding affinity against Endothelial nitric oxide synthase
50036573	2	ChEMBL_143344 (CHEMBL751926)	Compound was tested for binding affinity against neuronal nitric oxide synthase(nNOS)
50036573	3	ChEMBL_89179 (CHEMBL700498)	Compound was tested for binding affinity against recombinant inducible nitric oxide synthase (iNOS) from mouse
50036574	3	ChEMBL_48097 (CHEMBL663084)	Binding affinity (affinity state 2) for Cholecystokinin type B receptor, was determined using CHO cells
50036574	4	ChEMBL_48607 (CHEMBL659588)	Compound was tested for the affinity against Cholecystokinin type B receptor on guinea pig cortex.
50036574	6	ChEMBL_48102 (CHEMBL663089)	Compound was tested for binding affinity against rat brain Cholecystokinin type B receptor expressed in CHO cells.
50036576	1	ChEMBL_30937 (CHEMBL646741)	inhibitory activity against Adenosine deaminase
50036578	3	ChEMBL_144023 (CHEMBL750438)	Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7
50036578	4	ChEMBL_142603 (CHEMBL750569)	Compound was evaluated for functional potency and efficacy at human muscle type Nicotinic acetylcholine receptor in TE671 cells
50036578	6	ChEMBL_142602 (CHEMBL750568)	Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor ganglionic type on IMR-32 cells
50036578	15	ChEMBL_223069 (CHEMBL842919)	Ability to block activation of acetylcholine-stimulated currents in human alpha-7 homomers expressed in oocytes
50036578	11	ChEMBL_144171 (CHEMBL749552)	Affinity for Nicotinic acetylcholine receptor alpha7
50036578	18	ChEMBL_144023 (CHEMBL750438)	Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7
50036578	19	ChEMBL_144171 (CHEMBL749552)	Affinity for Nicotinic acetylcholine receptor alpha7
50036579	2	ChEMBL_1413 (CHEMBL616201)	In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand
50036579	3	ChEMBL_60664 (CHEMBL671700)	Binding affinity at human Dopamine receptor D4 (hD4) using [3H]spiperone radioligand.
50036579	5	ChEMBL_60070 (CHEMBL671384)	Binding affinity at human Dopamine receptor D2 (hD2) using [3H]spiperone radioligand.
50036579	6	ChEMBL_62126 (CHEMBL673447)	Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.
50036579	7	ChEMBL_62130 (CHEMBL674520)	Binding affinity in human Dopamine receptor D3 expressed in CHO cells was determined using the agonist [3H]spiperone.
50036579	8	ChEMBL_60692 (CHEMBL675858)	Compound was tested to inhibit Dopa accumulation in Dopamine receptor D4 at 10 mg/kg, sc
50036579	9	ChEMBL_60073 (CHEMBL671729)	Binding affinity in humans to Dopamine receptor D2 expressed in CHO cells was determined using the agonist [3H]-spiperone.
50000434	15	ChEMBL_1681418 (CHEMBL4031695)	Inhibition of mouse BGT1 expressed in hamster BHK cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method
50036579	10	ChEMBL_62285 (CHEMBL675055)	Compound was tested to inhibit Dopa accumulation in Dopamine receptor D3 at 10 mg/kg, sc
50036579	11	ChEMBL_60670 (CHEMBL671706)	Binding affinity in humans Dopamine receptor D4 expressed in CHO cells was determined using the agonist [3H]spiperone.
50036579	12	ChEMBL_60230 (CHEMBL672799)	Compound was tested to inhibit Dopa accumulation in to Dopamine receptor D2 at 10 mg/kg, sc
50036580	1	ChEMBL_201737 (CHEMBL803933)	Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions
50036581	1	ChEMBL_47645 (CHEMBL659916)	Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue
50036581	2	ChEMBL_48603 (CHEMBL656926)	Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes
50036582	2	ChEMBL_202072 (CHEMBL873269)	Binding affinity was evaluated using [3H]pentazocine binding to sigma-1 receptor from guinea pig brain
50036584	2	ChEMBL_2004 (CHEMBL617097)	Compound was tested for its agonist activity against human recombinant 5-hydroxytryptamine 1D receptor alpha for comparison purpose.
50036584	3	ChEMBL_2005 (CHEMBL617098)	Compound was tested for its agonist activity against human recombinant 5-hydroxytryptamine 1D receptor alpha for comparison purpose.
50036584	4	ChEMBL_2003 (CHEMBL617096)	Compound was tested for its agonist activity against human 5-hydroxytryptamine 1D receptor alpha for comparison purpose.
50036585	5	ChEMBL_2980 (CHEMBL621307)	Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex
50000436	15	ChEMBL_1681491 (CHEMBL4031768)	Inhibition of JNK1/JNK2/JNK3 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control
50000436	5	ChEMBL_1681488 (CHEMBL4031765)	Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control
50000436	16	ChEMBL_1681508 (CHEMBL4031785)	Inhibition of human ERG
50000436	4	ChEBML_1681490	Inhibition of PIP4K2C in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control
50000436	17	ChEMBL_1681478 (CHEMBL4031755)	Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assay
50000436	6	ChEBML_1681484	Inhibition of human GST-tagged CLK1 expressed in Escherichia coli by Z'-LYTE assay
50000436	7	ChEBML_1681483	Inhibition of full length human recombinant GST-tagged DYRK1B expressed in baculovirus by Z'-LYTE assay
50000436	8	ChEBML_1681482	Inhibition of full length human GST-tagged PHKG1 expressed in baculovirus by Z'-LYTE assay
50000436	9	ChEBML_1681480	Inhibition of human full length recombinant GST-tagged DYRK3 expressed in baculovirus by Z'-LYTE assay
50000436	10	ChEBML_1681479	Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay
50000436	11	ChEMBL_1681494 (CHEMBL4031771)	Inhibition of TTK phosphorylation at T686 residue in human CAL51 cells after 1 hr by Western blot analysis
50000436	12	ChEBML_1681489	Inhibition of CAMKK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control
50000436	13	ChEBML_1681481	Inhibition of human full length GST-tagged DYRK1A expressed in baculovirus by Z'-LYTE assay
50000436	2	ChEMBL_1681495 (CHEMBL4031772)	Inhibition of CLK2 in human CAL51 cells assessed as reduction in phosphorylation of SRp75 after 1 hr by Western blot analysis
50000437	5	ChEMBL_1681544 (CHEMBL4031821)	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate after 2 hrs by TR-FRET assay
50000437	1	ChEMBL_1681548 (CHEMBL4031825)	Inhibition of human wild type LRRK2 phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assay
50000437	8	ChEMBL_1681549 (CHEMBL4031826)	Inhibition of human LRRK2 G2019S mutant phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assay
50000437	3	ChEBML_1681545	Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay
50000437	7	ChEMBL_1681546 (CHEMBL4031823)	Inhibition of human LRRK2 G2019S mutant phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay
50000437	9	ChEMBL_1681543 (CHEMBL4031820)	Inhibition of wild type recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrate after 2 hrs by TR-FRET assay
50036587	9	ChEMBL_46296 (CHEMBL661065)	Binding affinity against the cannabinoid receptor (experiment 2)
50036587	11	ChEMBL_46829 (CHEMBL658063)	Binding affinity against the Cannabinoid receptor 1 in the presence of PMSF (experiment 2)
50000437	4	ChEMBL_1681551 (CHEMBL4031828)	Inhibition of human LRRK2 G2019S mutant phosphorylation at ser1292 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assay
50000438	1	ChEBML_1681594	Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method
50000438	2	ChEMBL_1681594 (CHEMBL4031871)	Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method
50000440	1	ChEMBL_1681633 (CHEMBL4031910)	Displacement of [Tyrosyl-2,6-3H]Oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells after 180 mins by liquid scintillation counting method
50000440	2	ChEMBL_1681639 (CHEMBL4031916)	Agonist activity at recombinant mouse OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
50000440	5	ChEMBL_1681638 (CHEMBL4031915)	Agonist activity at recombinant human OTR expressed in CHO-K1 cells assessed as induction of Ca2+ mobilization after overnight incubation by FLIPR assay
50000440	4	ChEBML_1681637	Displacement of [Tyrosyl-2,6-3H]Oxytocin from recombinant mouse OTR expressed in CHO-K1 cells after 180 mins by liquid scintillation counting method
50000443	1	ChEBML_1681651	Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins by chemiluminescence method
50000443	3	ChEMBL_1681650 (CHEMBL4031927)	Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method
50000443	2	ChEMBL_1681651 (CHEMBL4031928)	Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins by chemiluminescence method
50036590	3	ChEMBL_212733 (CHEMBL819274)	Binding affinity towards trypsin
50036590	4	ChEMBL_208238 (CHEMBL815717)	Binding affinity against tissue-type plasminogen activator receptor
50036590	5	ChEMBL_155234 (CHEMBL764724)	Binding affinity towards Plasmin
50036592	2	ChEMBL_62489 (CHEMBL677381)	Compound was evaluated for its ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putamen tissue
50000444	1	ChEBML_1681666	Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 hrs by colorimetric assay
50000444	2	ChEBML_1681667	Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 hrs by colorimetric assay
50036594	3	ChEMBL_90874 (CHEMBL699307)	Inhibitory concentration against HIV-1 integrase
50036594	4	ChEMBL_88605 (CHEMBL701184)	Inhibitory concentration required to inhibit HIV-1 integrase by strand transfer method
50000445	1	ChEBML_1681724	Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting
50000445	2	ChEMBL_1681727 (CHEMBL4032004)	Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50000445	5	ChEMBL_1681722 (CHEMBL4031999)	Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50000445	4	ChEBML_1681723	Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50000445	3	ChEBML_1681727	Agonist activity at recombinant human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50000446	1	ChEBML_1681809	Inhibition of human factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric method
50000446	2	ChEBML_1681810	Inhibition of human factor 9a using methylsulfonyl-D-cyclohexylglycylGly-Arg-AMC as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	3	ChEBML_1681811	Inhibition of human factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric method
50000446	4	ChEBML_1681813	Inhibition of human plasma kallikrein using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	5	ChEBML_1681814	Inhibition of human tissue kallikrein-1 using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	6	ChEBML_1681817	Inhibition of human activated protein C using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	7	ChEBML_1681818	Inhibition of human plasmin using H-(D)-Val-Leu-Lys-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	8	ChEBML_1681820	Inhibition of human urokinase using pyro-Glu Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	9	ChEBML_1681750	Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	10	ChEBML_1681812	Inhibition of human factor 12a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000446	11	ChEBML_1681815	Inhibition of human thrombin using pyro-Glu-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric method
50000446	12	ChEBML_1681819	Inhibition of human TPA using methylsulfonyl-D-cyclohexylalanyl-Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method
50000447	4	ChEMBL_1681823 (CHEMBL4032100)	Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presence of 50 mM phosphate buffer by SPR assay
50036595	10	ChEMBL_88778 (CHEMBL701809)	Inhibitory concentration of compound against 3'-processing of HIV-2 integrase
50000447	1	ChEBML_1681824	Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presence of 1 mM phosphate buffer by SPR assay
50000447	5	ChEMBL_1681824 (CHEMBL4032101)	Binding affinity to human GST-tagged GRB7-SH2 domain (415 to 594 residues) expressed in Escherichia coli BL21(DE3) pLys after 60 to 80 secs in presence of 1 mM phosphate buffer by SPR assay
50000447	2	ChEMBL_1681834 (CHEMBL4032111)	Binding affinity to GST-tagged GRB7-SH2 (415 to 532 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in 50 mM sodium phosphate buffer by SPR analysis
50000447	3	ChEMBL_1681835 (CHEMBL4032112)	Binding affinity to GST-tagged GRB7-SH2 (415 to 532 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in 1 mM sodium phosphate buffer by SPR analysis
50036595	11	ChEMBL_90898 (CHEMBL699511)	Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2
50000448	1	ChEBML_1681840	Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA method
50000448	2	ChEMBL_1681839 (CHEMBL4032116)	Inhibition of Fc-fused BACE1 (1 to 460 residues) (unknown origin) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by fluorescence assay
50000448	3	ChEMBL_1681840 (CHEMBL4032117)	Inhibition of BACE1 (unknown origin) expressed in HEK293-APP751swe cells assessed as reduction in amyloid beta (1 to 40) level by sandwich-ELISA method
50036595	14	ChEMBL_88779 (CHEMBL699437)	Inhibitory concentration of compound against strand transfer of HIV- integrase
50000449	1	ChEBML_1681845	Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting
50000449	2	ChEBML_1681844	Inhibition of re-uptake of [3H]MPP+ at human NET expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 3 min by liquid scintillation counting
50000449	3	ChEBML_1681846	Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting
50036596	2	ChEMBL_903 (CHEMBL615752)	Binding affinity against human 5-hydroxytryptamine 1A receptor
50036596	10	ChEMBL_62928 (CHEMBL673833)	Binding affinity of compound towards Dopamine receptor D3 using [3H]spiperone (1.2 nM) ligand in cortex was determined
50036596	13	ChEMBL_59477 (CHEMBL671437)	Binding affinity of compound towards Dopamine receptor D2 using [3H]raclopride (1.2 nM) ligand in striatum bovine was determined
50036596	14	ChEMBL_3122 (CHEMBL617965)	Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor in NG cells 108-15
50000449	4	ChEMBL_1681846 (CHEMBL4032123)	Inhibition of re-uptake of [3H]-dopamine at human DAT expressed in HEK293 cells preincubated for 5 mins followed by [3H]-dopamine addition measured after 1 min by liquid scintillation counting
50036596	16	ChEMBL_33097 (CHEMBL645100)	Binding affinity of compound towards Alpha-1 adrenergic receptor using [3H]prazosin 0.5 nM ligand in frontal cortex calf was determined
50036596	17	ChEMBL_201903 (CHEMBL808194)	Binding affinity against sigma receptor
50036596	19	ChEMBL_58985 (CHEMBL668650)	Binding affinity against Dopamine receptor D1
50036596	20	ChEMBL_1846 (CHEMBL616817)	Binding affinity of compound towards 5-hydroxytryptamine 1C receptor using [3H]mesulergine (1.2 nM) ligand in choroid Plexus pig was determined
50036596	21	ChEMBL_2238 (CHEMBL617183)	Binding affinity against 5-hydroxytryptamine 2 receptor
50036596	22	ChEMBL_61284 (CHEMBL670781)	Binding affinity against Dopamine receptor D2
50036596	23	ChEMBL_1956 (CHEMBL617563)	Binding affinity against 5-hydroxytryptamine 1D receptor using [3H]5-HT in pig striatum + frontalCortex
50036596	24	ChEMBL_33102 (CHEMBL645955)	Inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in bovine frontal cortex
50036596	25	ChEMBL_201904 (CHEMBL808195)	Binding affinity against sigma receptor.
50000450	1	ChEBML_1681886	Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidation of oxyHb to metHb measured for 6 mins by hemoglobin- NO capture assay
50000450	2	ChEBML_1681884	Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidation of oxyHb to metHb measured for 6 mins by hemoglobin- NO capture assay
50036596	28	ChEMBL_60334 (CHEMBL673545)	Binding affinity of compound towards Dopamine receptor D1 using [3H]SCH-23390 (0.5 nM) ligand in striatum bovine was determined
50036596	29	ChEMBL_201294 (CHEMBL805784)	Binding affinity of compound towards sigma receptor using [3H]DTG (4 nM) ligand in hippocampus rat was determined
50000450	3	ChEBML_1681887	Inhibition of mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidation of oxyHb to metHb measured for 6 mins by hemoglobin- NO capture assay
50000450	4	ChEBML_1681888	Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidation of oxyHb to metHb measured for 6 mins by hemoglobin- NO capture assay
50000451	1	ChEMBL_1681906 (CHEMBL4032183)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method
50000451	2	ChEBML_1681898	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method
50000451	9	ChEMBL_1681900 (CHEMBL4032177)	Agonist activity at human MC1R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation measured after 3 mins
50000451	5	ChEMBL_1681898 (CHEMBL4032175)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method
50000451	4	ChEMBL_1681903 (CHEMBL4032180)	Agonist activity at human MC3R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50000451	3	ChEBML_1681902	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method
50000451	10	ChEMBL_1681910 (CHEMBL4032187)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method
50000451	11	ChEMBL_1681908 (CHEMBL4032185)	Agonist activity at human MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50000451	6	ChEMBL_1681912 (CHEMBL4032189)	Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50036599	2	ChEMBL_205215 (CHEMBL816489)	Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells
50036599	5	ChEMBL_202889 (CHEMBL873258)	Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue in experiment 1
50000451	12	ChEMBL_1681902 (CHEMBL4032179)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method
50036599	10	ChEMBL_205224 (CHEMBL872747)	Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells
50000451	7	ChEBML_1681906	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method
50036600	3	ChEMBL_138834 (CHEMBL753022)	Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line
50000451	8	ChEBML_1681912	Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50000454	1	ChEBML_1681948	Positive allosteric modulation of human 5-HT2C receptor expressed in human HeLa-K1 cells assessed as potentiation of 5-HT-induced inositol monophosphate release after 20 mins by HTRF assay
50000455	1	ChEMBL_1681976 (CHEMBL4032253)	Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90 secs at 30 degC by isothermal titration calorimetry assay
50000455	2	ChEBML_1681976	Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90 secs at 30 degC by isothermal titration calorimetry assay
50000455	8	ChEMBL_1681977 (CHEMBL4032254)	Inhibition of STEP (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000455	3	ChEBML_1681979	Inhibition of TC-PTP (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000455	4	ChEBML_1681980	Inhibition of MKP5 (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000455	5	ChEBML_1681981	Inhibition of LAR (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000455	6	ChEBML_1681978	Inhibition of LMW-PTP (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000455	7	ChEBML_1681983	Inhibition of PTP1B (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50000456	1	ChEBML_1681999	Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
50000456	2	ChEBML_1682041	Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50036602	3	ChEMBL_864 (CHEMBL615920)	In vitro radioligand binding assay on 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in rat hippocampus
50000456	14	ChEMBL_1681996 (CHEMBL4032273)	Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
50036603	1	ChEMBL_202891 (CHEMBL810008)	Inhibition of human 5-alpha reductase 2 isozyme.
50036603	3	ChEMBL_34012 (CHEMBL645379)	Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor
50036603	5	ChEMBL_205217 (CHEMBL816491)	Inhibitory concentration was tested on human 5-alpha reductase 1 isozyme
50036603	6	ChEMBL_202894 (CHEMBL810011)	Inhibitory concentration on human prostatic 5-alpha reductase 2 isozyme
50036603	7	ChEMBL_205218 (CHEMBL816492)	Inhibitory concentration on human 5-alpha reductase 1 (transfected 293 cells)
50036603	8	ChEMBL_329 (CHEMBL615302)	Binding affinity for 3-beta-hydroxysteroid dehydrogenase
50036603	9	ChEMBL_202893 (CHEMBL810010)	Inhibitory concentration on human 5-alpha reductase 2 (transfected SW-13 cells)
50036603	10	ChEMBL_205219 (CHEMBL816493)	Binding affinity for human 5 alpha reductase 1 isozyme
50036603	11	ChEMBL_202881 (CHEMBL809999)	Binding affinity for human 5-alpha reductase 2 isozyme
50036603	13	ChEMBL_34631 (CHEMBL647276)	Binding affinity was tested on CEC-pretreated rat liver Alpha-1B adrenergic receptor
50036603	14	ChEMBL_202890 (CHEMBL810007)	Inhibitory concentration on human 5-alpha reductase 2 (transfected SW-13 cells)
50000456	13	ChEMBL_1681995 (CHEMBL4032272)	Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
50036603	15	ChEMBL_32719 (CHEMBL645991)	Binding affinity was tested on cloned rat Alpha-1D adrenergic receptor
50000456	5	ChEMBL_1682043 (CHEMBL4032320)	Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50036603	17	ChEMBL_202900 (CHEMBL807652)	Inhibitory concentration on human 5alpha reductase 2 isozyme
50036603	18	ChEMBL_33725 (CHEMBL647546)	Binding affinity was tested on human Alpha-1A adrenergic receptor
50000456	10	ChEBML_1682042	Displacement of [33P]-S1P from human S1P4 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50000456	7	ChEMBL_1682036 (CHEMBL4032313)	Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method
50000456	11	ChEMBL_1682041 (CHEMBL4032318)	Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50000456	15	ChEMBL_1682000 (CHEMBL4032277)	Agonist activity at human S1P5 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
50000456	4	ChEBML_1682043	Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50000456	8	ChEMBL_1681999 (CHEMBL4032276)	Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
50036603	20	ChEMBL_33582 (CHEMBL647133)	Binding affinity was tested on cloned bovine Alpha-1A adrenergic receptor
50000456	9	ChEBML_1682040	Displacement of [33P]-S1P from human S1P2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50036603	21	ChEMBL_34196 (CHEMBL649213)	Binding affinity was tested on cloned hamster Alpha-1B adrenergic receptor
50000456	12	ChEMBL_1682040 (CHEMBL4032317)	Displacement of [33P]-S1P from human S1P2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50000456	6	ChEBML_1682036	Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method
50036603	23	ChEMBL_202899 (CHEMBL807651)	Binding affinity on human prostatic 5-alpha reductase-2 isozyme
50036603	24	ChEMBL_202902 (CHEMBL807654)	Binding affinity on rat 5-alpha reductase-2 isozyme
50000456	3	ChEMBL_1682035 (CHEMBL4032312)	Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
50036603	25	ChEMBL_328 (CHEMBL615301)	Binding affinity on 3 beta-hydroxysteroid dehydrogenase
50000457	1	ChEMBL_1682052 (CHEMBL4032329)	Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin based fluorescence assay
50036603	27	ChEMBL_205221 (CHEMBL816495)	Inhibitory concentration on human 5-alpha reductase 1 isozyme
50036603	28	ChEMBL_205226 (CHEMBL816499)	Binding affinity on rat 5-alpha reductase-1 isozyme
50000457	11	ChEMBL_1682053 (CHEMBL4032330)	Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescence assay
50000457	10	ChEMBL_1682047 (CHEMBL4032324)	Inhibition of LDH in human MIAPaCa2 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughput fluorescence assay
50000457	9	ChEMBL_1682057 (CHEMBL4032334)	Inhibition of LDH in human A673 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughput fluorescence assay
50000457	2	ChEBML_1682048	Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay
50000457	7	ChEMBL_1682048 (CHEMBL4032325)	Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay
50000457	3	ChEBML_1682056	Inhibition of wild type IDH1 (unknown origin) using isocitrate as substrate preincubated for 30 mins followed by substrate addition in presence of NADP+ measured up to 5 mins by resorufin-based fluorescence assay
50000457	5	ChEBML_1682055	Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence assay
50036607	1	ChEMBL_200979 (CHEMBL801232)	Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes
50036607	3	ChEMBL_140182 (CHEMBL744099)	Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes
50036607	4	ChEMBL_62572 (CHEMBL671503)	Inhibition of [3H]spiroperidol binding to Dopamine receptor D2 of rat striatal membranes
50036607	8	ChEMBL_62388 (CHEMBL672341)	Binding affinity towards Dopamine receptor D2 in the rat striatal membranes using [3H]spiroperidol
50036608	1	ChEMBL_104301 (CHEMBL709916)	Compound was tested for the inhibition of Metabotropic glutamate receptor 5
50036608	2	ChEMBL_105876 (CHEMBL717927)	Compound was tested for the inhibition of Metabotropic glutamate receptor 1
50036608	3	ChEMBL_106537 (CHEMBL714798)	Compound was tested for the inhibition of Metabotropic glutamate receptor 3 (mGluR3)
50036608	4	ChEMBL_106709 (CHEMBL714010)	Compound was tested for the inhibition of Metabotropic glutamate receptor 4
50036608	5	ChEMBL_104471 (CHEMBL712388)	Compound was tested for the inhibition of Metabotropic glutamate receptor 6
50036608	6	ChEMBL_105866 (CHEMBL717334)	Compound was tested for the inhibition of Metabotropic glutamate receptor 1
50036608	7	ChEMBL_106230 (CHEMBL878220)	Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).
50036608	9	ChEMBL_106223 (CHEMBL713618)	Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2).
50036608	10	ChEMBL_104473 (CHEMBL712390)	Compound was tested for the inhibition of Metabotropic glutamate receptor 6
50036608	11	ChEMBL_106701 (CHEMBL714003)	Compound was tested for the inhibition of Metabotropic glutamate receptor 4
50036608	12	ChEMBL_106370 (CHEMBL718736)	Agonistic activity against Human Metabotropic glutamate receptor 3
50000457	6	ChEMBL_1682051 (CHEMBL4032328)	Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift assay
50036608	13	ChEMBL_104306 (CHEMBL880764)	Compound was tested for the inhibition of Metabotropic glutamate receptor 5
50036608	14	ChEMBL_105893 (CHEMBL717754)	Agonistic activity against Human Metabotropic glutamate receptor 2
50000457	4	ChEMBL_1682086 (CHEMBL4032363)	Inhibition of human LDHA using sodium pyruvate as substrate in presence of NAPDH
50000458	1	ChEMBL_1682129 (CHEMBL4032406)	Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method
50000458	2	ChEBML_1682129	Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method
50036612	1	ChEMBL_1789 (CHEMBL616763)	Binding affinity against 5-hydroxytryptamine 1B receptor in membranes of Rat cerebral cortex
50036612	2	ChEMBL_58527 (CHEMBL672020)	Binding affinity against Dopamine receptor D1 in rat striatum using [3H]-SCH- 23390 as the radioligand.
50036612	3	ChEMBL_2627 (CHEMBL621539)	Binding affinity against 5-hydroxytryptamine 2A receptor from rat cortex using [3H]ketanserin as the radioligand.
50036612	5	ChEMBL_2823 (CHEMBL621509)	Binding affinity against 5-hydroxytryptamine 2C receptor from rat cortex using [3H]mesulergine as the radioligand.
50036612	6	ChEMBL_201891 (CHEMBL808182)	Binding affinity against sigma receptor from rat whole brains using [3H]DTG as the radioligand.
50036612	7	ChEMBL_140153 (CHEMBL745459)	Binding affinity against Muscarinic acetylcholine receptor using [3H]QNB as the radioligand.
50036612	9	ChEMBL_3752 (CHEMBL872929)	Binding affinity against 5-hydroxytryptamine 7 receptor using from CHO cell membranes [3H]5-HT as the radioligand.
50036612	10	ChEMBL_226562 (CHEMBL848641)	Binding affinity against sigma receptor from rat whole brains using [3H]DTG as the radioligand.
50036612	11	ChEMBL_3656 (CHEMBL620792)	Binding affinity against 5-hydroxytryptamine 6 receptor from CHO cell membranes using [3H]5-HT as the radioligand.
50036612	12	ChEMBL_61288 (CHEMBL670785)	Binding affinity against Dopamine receptor D2 from cell LtkhD2A membranes using [3H]raclopride as the radioligand.
50036612	14	ChEMBL_1104 (CHEMBL616427)	Binding affinity against 5-hydroxytryptamine 1A receptor from rat hippocampus using [3H]8-OH-DPAT as the radioligand.
50000459	1	ChEBML_1682157	Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation/luminescence counting method
50000460	1	ChEBML_1682164	Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50036615	1	ChEMBL_1159 (CHEMBL616104)	Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex
50036615	2	ChEMBL_62547 (CHEMBL674060)	Binding affinity against Dopamine receptor D2 from rat striatum
50036615	3	ChEMBL_62549 (CHEMBL878393)	Compound was evaluated for its binding affinity with Dopamine receptor D2 using membranes prepared from rat striatum
50036615	4	ChEMBL_1162 (CHEMBL616107)	Compound was evaluated for its binding affinity with 5-hydroxytryptamine 1A receptor using membranes prepared from rat cerebral cortex
50000460	2	ChEBML_1682163	Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50000460	3	ChEBML_1682166	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method
50000460	5	ChEMBL_1682172 (CHEMBL4032449)	Binding affinity to dopamine D4 receptor (unknown origin)
50000461	3	ChEMBL_1682208 (CHEMBL4032485)	Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP
50000461	4	ChEMBL_1682206 (CHEMBL4032483)	Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP
50036617	2	ChEMBL_138841 (CHEMBL753029)	Inhibitory activity against stimulation of [3H]inositol monophosphate accumulation in [3H]inositol-labelled CHO transfected cells mediated by Muscarinic acetylcholine receptor M3
50036617	15	ChEMBL_138707 (CHEMBL747822)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M3
50036617	17	ChEMBL_139124 (CHEMBL749862)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M4
50036617	21	ChEMBL_138414 (CHEMBL744776)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M1
50000462	2	ChEMBL_1682333 (CHEMBL4032610)	Inhibition of full length human ERG expressed in CHO cells at -70 mV holding potential by patch clamp assay
50036617	23	ChEMBL_138833 (CHEMBL882648)	Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M3
50036618	2	ChEMBL_70323 (CHEMBL677003)	Compound was evaluated for inhibition against Fibrinogen Receptor.
50036618	3	ChEMBL_208340 (CHEMBL813651)	Compound was evaluated for the inhibition of thrombin
50036618	4	ChEMBL_207959 (CHEMBL872744)	Compound was evaluated for the inhibition of thrombin
50036619	1	ChEMBL_53341 (CHEMBL664926)	Inhibitory activity against hydrolysis of Gly-Pro-pNa by CD26 (Dipeptidyl peptidase IV) purified from CEM H01 cells
50000463	1	ChEBML_1682355	Inhibition of human recombinant FAAH using arachidonoyl-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence assay
50000463	2	ChEBML_1682364	Inhibition of MAGL in human brain vascular pericytes after 1 hr by TAMRA azide-based In-gel fluorescence method
50000463	3	ChEMBL_1682364 (CHEMBL4032641)	Inhibition of MAGL in human brain vascular pericytes after 1 hr by TAMRA azide-based In-gel fluorescence method
50000464	5	ChEMBL_1682385 (CHEMBL4032662)	Agonist activity at human FXR expressed in HEK293T cells assessed as BSEP promoter driven cellular transcriptional activity after 24 hrs by luciferase reporter gene assay
50000464	1	ChEMBL_1682383 (CHEMBL4032660)	Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells assessed as induction of interaction with biotin labelled SRC-1 after 1 hr by HTRF assay
50000464	2	ChEBML_1682489	Agonist activity at human TGR5
50000464	3	ChEBML_1682491	Agonist activity at mouse TGR5
50000464	4	ChEBML_1682383	Agonist activity at recombinant human GST-tagged FXR ligand binding domain (193 to 472 residues) expressed in baculovirus infected insect cells assessed as induction of interaction with biotin labelled SRC-1 after 1 hr by HTRF assay
50036622	1	ChEMBL_199695 (CHEMBL802924)	In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding
50000465	8	ChEMBL_1682548 (CHEMBL4032825)	Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luciferase reporter gene assay
50000465	2	ChEBML_1682569	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC-MS/MS analysis
50000465	3	ChEBML_1682567	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 30 mins by LC-MS/MS analysis
50000465	4	ChEBML_1682566	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 30 mins by LC-MS/MS analysis
50000465	5	ChEBML_1682551	Inhibition of human GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cell expression system using NAD+ as substrate after 4 hrs by fluorescence assay
50000465	6	ChEBML_1682542	Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate preincubated for 10 mins measured after 30 mins by fluorescence assay
50000465	18	ChEMBL_1682547 (CHEMBL4032824)	Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay
50000465	7	ChEMBL_1682549 (CHEMBL4032826)	Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs by ST-luciferase reporter gene assay
50000465	19	ChEMBL_1682542 (CHEMBL4032819)	Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate preincubated for 10 mins measured after 30 mins by fluorescence assay
50000465	1	ChEBML_1682547	Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay
50036626	1	ChEMBL_157547 (CHEMBL764931)	Binding affinity towards HIV-1 Protease
50000465	9	ChEBML_1682557	Inhibition of human PARP16 using NAD+ as substrate by fluorescence assay
50000465	10	ChEBML_1682555	Inhibition of human PARP10 using NAD+ as substrate by fluorescence assay
50000465	11	ChEBML_1682554	Inhibition of human PARP14 using NAD+ as substrate by fluorescence assay
50000465	12	ChEBML_1682552	Inhibition of human PARP4 using NAD+ as substrate by fluorescence assay
50036628	5	ChEMBL_208279 (CHEMBL813414)	Inhibitory activity measured against trehalase of porcine kidney by colorimetric assay using the D-glucose oxidase-peroxidase method
50000465	13	ChEBML_1682544	Inhibition of human PARP3 using NAD+ as substrate by fluorescence assay
50036628	7	ChEMBL_34094 (CHEMBL649723)	Inhibitory activity measured against alpha-L-fucosidase of rat epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method
50000465	14	ChEBML_1682568	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 30 mins by LC-MS/MS analysis
50036628	9	ChEMBL_33966 (CHEMBL649591)	Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method
50000465	15	ChEBML_1682556	Inhibition of human PARP12 using NAD+ as substrate by fluorescence assay
50000465	16	ChEBML_1682553	Inhibition of human PARP15 using NAD+ as substrate by fluorescence assay
50000465	17	ChEBML_1682550	Inhibition of recombinant human PARP1 expressed in Escherichia coli using NAD+ as substrate after 10 mins by fluorescence assay
50036628	6	ChEMBL_33948 (CHEMBL884024)	Inhibitory activity measured against alpha-L-fucosidase of bovine epididymis by colorimetric assay using the D-glucose oxidase-peroxidase method
50036628	11	ChEMBL_70513 (CHEMBL679754)	Inhibitory activity measured against alpha-galactosidase of coffee bean by colorimetric assay using the D-glucose oxidase-peroxidase method
50000466	10	ChEMBL_1682597 (CHEMBL4032874)	Inhibition of P300/CBP in human MV4-11 cells assessed as reduction in MYC expression after 4 hrs by luminescence based assay
50000466	1	ChEBML_1682592	Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay
50000466	2	ChEBML_1682593	Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay
50000466	3	ChEBML_1682596	Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay
50000466	4	ChEBML_1682602	Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay
50000466	5	ChEBML_1682605	Binding affinity to human BRD3 bromodomain 2 (G306 to P416) expressed in bacterial cells by BromoScan assay
50036630	1	ChEMBL_70299 (CHEMBL679701)	Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase
50036630	2	ChEMBL_141224 (CHEMBL749440)	Inhibition of post-translational processing of v-Ras protein in NIH3T3 cells
50036630	3	ChEMBL_70300 (CHEMBL679702)	Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase
50036630	4	ChEMBL_70145 (CHEMBL685968)	Inhibition of bovine brain Farnesyltransferase at 10 pM
50036630	5	ChEMBL_70144 (CHEMBL685967)	Inhibition of bovine brain Farnesyltransferase at 1 nM
50036630	7	ChEMBL_70301 (CHEMBL677848)	Inhibition of [3H]-FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase
50036631	1	ChEMBL_43871 (CHEMBL658531)	Inhibitory activity against Calpain-II receptor in porcine kidney
50036631	5	ChEMBL_47432 (CHEMBL662619)	Inhibitory activity against cathepsin B receptor in human liver
50000466	7	ChEMBL_1682602 (CHEMBL4032879)	Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay
50000466	8	ChEBML_1682603	Binding affinity to human BRD7 (L125 to R254) expressed in mammalian cells by BromoScan assay
50036632	1	ChEMBL_28845 (CHEMBL649110)	Inhibition of [3H]- DPCPX binding to Adenosine A1 receptor ofrat brain membranes
50036632	2	ChEMBL_30333 (CHEMBL637928)	Inhibition of [125I]AB-MECA (0.15 nM) binding to Adenosine A3 receptor of RBL-2H3 cell membranes
50036632	3	ChEMBL_30738 (CHEMBL649769)	Activity against Adenosine A2B receptor as cAMP production in VA-13 cells
50036632	4	ChEMBL_32148 (CHEMBL646275)	Inhibition of [3H]- CGS 21680 binding to Adenosine A2A receptor of rat brain membranes
50036633	1	ChEMBL_63353 (CHEMBL679118)	In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor.
50036633	2	ChEMBL_64042 (CHEMBL873580)	In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor.
50036634	1	ChEMBL_71394 (CHEMBL681746)	Binding affinity for human glucocorticoid receptor expressed in CV-1 cells
50000471	8	ChEMBL_1682724 (CHEMBL4033001)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50000466	9	ChEBML_1682604	Binding affinity to human TRIM24 (G862 to E980) expressed in bacterial cells by BromoScan assay
50036635	1	ChEMBL_65318 (CHEMBL678091)	Inhibitory activity against human endothelial nitric oxide synthase (eNOS) isoenzyme.
50036635	2	ChEMBL_89333 (CHEMBL702708)	Inhibitory activity against human inducible nitric oxide synthase (iNOS) isoenzyme.
50036635	3	ChEMBL_143377 (CHEMBL752276)	Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme.
50000467	1	ChEBML_1682622	Inhibition of CDC25A (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	2	ChEBML_1682623	Inhibition of VHR (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	3	ChEMBL_1682617 (CHEMBL4032894)	Allosteric inhibition of 2P-IRS-1 stimulated wild type SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50036636	6	ChEMBL_148852 (CHEMBL756648)	Displacement of [3H]DAMGO from Opioid receptor mu 1 of rat brain membranes
50000467	4	ChEBML_1682617	Allosteric inhibition of 2P-IRS-1 stimulated wild type SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	5	ChEBML_1682619	Inhibition of LMW-PTP (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	6	ChEBML_1682621	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	7	ChEBML_1682613	Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	8	ChEBML_1682620	Inhibition of MKP3 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000467	9	ChEBML_1682615	Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 20 mins followed by substrate addition measured after 20 mins by phosphatase assay
50000471	1	ChEBML_1682727	Inhibition of GST-tagged recombinant human JAK3 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
50036636	8	ChEMBL_76709 (CHEMBL683885)	Partial agonist activity expressed as inhibition of contraction of mouse vas deferens (MVD) smooth muscle at 1 uM conc.
50000471	2	ChEBML_1682728	Inhibition of N-terminal GST-tagged recombinant human TYK2 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
50000471	4	ChEMBL_1682726 (CHEMBL4033003)	Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
50000471	10	ChEMBL_1682731 (CHEMBL4033008)	Displacement of [35S]-MK499 from human ERG expressed in HEK293 cell membranes
50000471	11	ChEMBL_1682729 (CHEMBL4033006)	Inhibition of JAK1 in IL6-stimulated human ME180 cells expressing stably integrated beta-lactamase reporter gene under control of sis-inducible element by fluorescence assay
50000471	12	ChEMBL_1682720 (CHEMBL4032997)	Inhibition of GST-tagged recombinant human JAK2 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
50036639	1	ChEMBL_144101 (CHEMBL751505)	Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase
50036640	1	ChEMBL_202576 (CHEMBL806327)	In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)
50036640	3	ChEMBL_176837 (CHEMBL780605)	In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)
50036640	5	ChEMBL_202577 (CHEMBL806328)	In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)
50036641	1	ChEMBL_196552 (CHEMBL801947)	The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound
50036641	2	ChEMBL_197352 (CHEMBL800531)	The kinetic constant for inhibition of S-adenosyl-homocysteine hydrolase by the compound
50036642	3	ChEMBL_201743 (CHEMBL809877)	Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain
50036642	5	ChEMBL_62271 (CHEMBL675673)	Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells
50036642	6	ChEMBL_1150 (CHEMBL616095)	Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex
50000471	6	ChEBML_1682730	Inhibition of JAK2 in EPO-stimulated human TF1 cells expressing stably integrated beta-lactamase reporter gene under control of STAT5 response elements in interferon regulatory factor 1 gene promoter by fluorescence assay
50000471	7	ChEMBL_1682730 (CHEMBL4033007)	Inhibition of JAK2 in EPO-stimulated human TF1 cells expressing stably integrated beta-lactamase reporter gene under control of STAT5 response elements in interferon regulatory factor 1 gene promoter by fluorescence assay
50000471	3	ChEMBL_1682755 (CHEMBL4033032)	Inhibition of JAK1 in human whole blood assessed as decrease in cytokine-stimulated STAT phosphorylation preincubated for 20 mins followed by cytokine addition measured after 30 mins
50036642	17	ChEMBL_62273 (CHEMBL675675)	Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells at 10 uM
50036642	18	ChEMBL_62272 (CHEMBL675674)	Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells at 10 uM
50036642	19	ChEMBL_61292 (CHEMBL672484)	Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells at 10 uM
50000471	9	ChEBML_1682726	Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
50036643	2	ChEMBL_205724 (CHEMBL807970)	In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells transiently transfected with the hNK-1R
50036643	3	ChEMBL_208643 (CHEMBL816612)	In vitro binding affinity towards Tachykinin receptor 1 to displace [3H][Sar9Met(O2)11]-SP (1 nM) binding to rabbit whole brain membranes
50036643	6	ChEMBL_208639 (CHEMBL872650)	In vitro binding affinity towards Tachykinin receptor 1 to displace [3H][Sar9Met(O2)11]-SP (1 nM) binding to rabbit whole brain membranes
50000473	8	ChEMBL_1682831 (CHEMBL4033108)	Inhibition of CYP2A6 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000473	1	ChEBML_1682835	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000473	2	ChEBML_1682836	Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000474	2	ChEMBL_1682839 (CHEMBL4033116)	Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 16 hrs in presence of MG132 by MSD assay
50000473	4	ChEBML_1682832	Inhibition of CYP2C8 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000473	5	ChEBML_1682834	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000473	6	ChEBML_1682830	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000473	7	ChEBML_1682833	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by addition of NADPH generating system measured after 20 mins by LC-MS/MS analysis
50000474	1	ChEBML_1682837	Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 residues) expressed in Escherichia coli Rosetta 2 (DE3) cells by 2D[1H-15N]-based TROSY spectrum NMR analysis
50000474	4	ChEMBL_1682838 (CHEMBL4033115)	Inhibition of native full length C-terminal USP7 (unknown origin) using ubiquitin-Rho110 as substrate pre-incubated for 1 hr followed by substrate addition by fluorescence assay
50000474	3	ChEMBL_1682837 (CHEMBL4033114)	Binding affinity to human His-tagged and [15N-13C-2H], delta1[13CH3]-Ile, [13CH3]-Leu/Val and [13CH3]-Met-labeled USP7-catalytic domain (208 to 554 residues) expressed in Escherichia coli Rosetta 2 (DE3) cells by 2D[1H-15N]-based TROSY spectrum NMR analysis
50000475	7	ChEMBL_1682917 (CHEMBL4033194)	Inhibition of recombinant human BRD4 bromodomain-1 (342 to 460 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000475	1	ChEMBL_1682851 (CHEMBL4033128)	Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to 166 residues) expressed in Escherichia coli BL21 Star (DE3) pre-incubated for 30 mins followed by biotinylated histone peptide H4 addition measured after 30 mins by AlphaScreen assay
50036645	6	ChEMBL_31866 (CHEMBL644387)	Binding affinity at human Adenosine A3 receptor as displacement of [125I]AB-MECA from HEK293 cell membranes
50036646	1	ChEMBL_156025 (CHEMBL763678)	Inhibitory activity against bee secretory Phospholipase A2 enzyme
50036646	2	ChEMBL_156206 (CHEMBL767149)	Inhibitory activity against human synovial recombinant Phospholipase enzyme
50036647	1	ChEMBL_210066 (CHEMBL813590)	Concentration required to inhibit telomerase activity
50036647	2	ChEMBL_210067 (CHEMBL813591)	Inhibition of telomerase activity
50000475	9	ChEMBL_1682913 (CHEMBL4033190)	Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50036650	1	ChEMBL_145837 (CHEMBL755495)	In vitro binding affinity against Opioid receptor kappa 1 in rat brain homogenates.
50036650	2	ChEMBL_149015 (CHEMBL758579)	In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.
50036650	3	ChEMBL_147062 (CHEMBL754882)	In vitro binding affinity against Opioid receptor delta 1 (DPDPE) in rat brain homogenates.
50036651	1	ChEMBL_59 (CHEMBL615182)	Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2C NMDA receptor
50036651	2	ChEMBL_58 (CHEMBL615181)	Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/2B NMDA receptor
50036651	3	ChEMBL_57 (CHEMBL615180)	Functional antagonism by electrical assays in Xenopus oocytes expressing 1A/2A NMDA receptor subtype
50036652	1	ChEMBL_52887 (CHEMBL665411)	In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)
50036653	1	ChEMBL_104724 (CHEMBL710725)	Inhibition of Matrix metalloprotease-3
50036653	2	ChEMBL_105982 (CHEMBL713995)	Inhibition of Matrix metalloprotease-1
50036653	3	ChEMBL_105360 (CHEMBL714518)	Inhibition of Matrix metalloprotease-9
50036653	4	ChEMBL_105041 (CHEMBL711555)	Inhibition of Matrix metalloprotease-7
50000475	4	ChEMBL_1682914 (CHEMBL4033191)	Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000475	3	ChEBML_1682913	Inhibition of recombinant human N-terminal GST-tagged BRD2 bromodomain-2 (339 to 459 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000476	2	ChEMBL_1682977 (CHEMBL4033254)	Inhibition of human VEGFR2
50000475	8	ChEBML_1682918	Inhibition of recombinant human N-terminal GST-tagged BRDT bromodomain-1 (22 to 138 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000475	5	ChEBML_1682914	Inhibition of recombinant human N-terminal GST-tagged BRD3 bromodomain-1 (29 to 145 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000475	6	ChEBML_1682916	Inhibition of recombinant human BRD4 bromodomain-1 (49 to 170 residues) expressed in Escherichia coli expression system after 120 mins by TR-FRET assay
50000476	1	ChEBML_1682976	Inhibition of VEGFR2 (unknown origin) using biotin substrate incubated for 1 hr by HTRF method
50000477	9	ChEMBL_1683128 (CHEMBL4033405)	Inhibition of human ERG by Qpatch assay
50000477	1	ChEMBL_1683136 (CHEMBL4033413)	Inhibition of PAK4 (unknown origin) using histone H3 as substrate
50000477	2	ChEMBL_1683137 (CHEMBL4033414)	Inhibition of PAK1 (unknown origin)
50000477	3	ChEBML_1683138	Inhibition of full length recombinant human His-tagged PAK5 (295 to 591 residues) expressed in Baculovirus expression system by Z'-Lyte assay
50000477	4	ChEBML_1683096	Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled ser/thr19 peptide as substrate preincubated for 15 mins followed by ATP addition measured after 60 mins by Z'-Lyte assay
50000477	5	ChEBML_1683092	Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay
50000477	6	ChEMBL_1683091 (CHEMBL4033368)	Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled ser/thr20 peptide as substrate preincubated for 15 mins followed by ATP addition measured after 60 mins by Z'-Lyte assay
50036657	3	ChEMBL_62972 (CHEMBL677462)	Inhibition of dopamine uptake from dopamine uptake site
50036657	6	ChEMBL_62760 (CHEMBL676288)	Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate
50000477	10	ChEMBL_1683092 (CHEMBL4033369)	Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface plasmon resonance assay
50036658	1	ChEMBL_197351 (CHEMBL800530)	Kinetic constant calculated from the pseudo-first-order rate constant(k app) for S-adenosyl-homocysteine hydrolase inactivation
50036659	1	ChEMBL_90571 (CHEMBL702428)	Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%
50036659	2	ChEMBL_88766 (CHEMBL701800)	Compound concentration required to reduce HIV-1 Integrase 3'-processing activity by 50%
50036660	3	ChEMBL_41031 (CHEMBL651935)	Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)
50000477	7	ChEMBL_1683087 (CHEMBL4033364)	Inhibition of GST-tagged human PAK4 (295 to 591 residues) expressed in Baculovirus expression system by Z'-Lyte assay
50036662	1	ChEMBL_40288 (CHEMBL653420)	Concentration required to inhibit specific binding of [3H]BK at 1.2 nM to A-431 cells (human epidermoid carcinoma) which express Bradykinin receptor B2 by 50%.
50000478	10	ChEMBL_1683177 (CHEMBL4033454)	Inhibition of human ERG channel expressed in CHO cells at holding potential of -80 mV after 5 mins by automated patch clamp assay
50000478	1	ChEBML_1683149	Antagonist activity at rat recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by calcium-4 staining based FLIPR assay
50000478	2	ChEBML_1683148	Antagonist activity at human recombinant P2X7 expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization after 30 mins by calcium-4 staining based FLIPR assay
50000478	3	ChEBML_1683156	Inhibition of CYP2C9 in human liver microsomes using tolbutamide or diclofenac as substrates
50000478	4	ChEBML_1683157	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate
50000478	5	ChEBML_1683158	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate
50000478	6	ChEBML_1683159	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
50000478	7	ChEBML_1683160	Inhibition of CYP3A4 in human liver microsomes using testosterone, midozolam or nifedipine as substrates
50000478	8	ChEBML_1683155	Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate
50000479	4	ChEMBL_1683275 (CHEMBL4033552)	Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method
50000479	1	ChEBML_1683275	Displacement of [3H]-spiperone from dopamine D2 receptor in rat strriatum after 15 mins by liquid scintillation counting method
50000479	2	ChEBML_1683274	Binding affinity to dopamine D1 receptor in rat striatum by liquid scintillation counting method
50000479	5	ChEMBL_1683274 (CHEMBL4033551)	Binding affinity to dopamine D1 receptor in rat striatum by liquid scintillation counting method
50000479	6	ChEMBL_1683272 (CHEMBL4033549)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method
50000479	3	ChEBML_1683272	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method
50000481	2	ChEMBL_1683301 (CHEMBL4033578)	Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expressed in HEK293 cells assessed as potentiation of glutamate-evoked calcium flux by fluo-4/AM dye-based fluorescence assay
50036664	3	ChEMBL_58333 (CHEMBL671948)	Displacement of [3H]-SCH- 23390 from Dopamine receptor D1 of rat striatal membranes
50000481	1	ChEBML_1683301	Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expressed in HEK293 cells assessed as potentiation of glutamate-evoked calcium flux by fluo-4/AM dye-based fluorescence assay
50036664	4	ChEMBL_61598 (CHEMBL884453)	Inhibition of specific binding of [3H]spiroperidol to Dopamine receptor D2 in rat striatal membranes
50036665	1	ChEMBL_27380 (CHEMBL642413)	Inhibition constant determined against Acetylcholinesterase (AChE) receptor.
50036665	2	ChEMBL_28747 (CHEMBL641011)	Inhibition constant determined against Acetylcholinesterase (AChE) receptor.
50036666	2	ChEMBL_100013 (CHEMBL709251)	The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprorelin binding to the cloned human Leutinizing releasing hormone receptor
50036666	4	ChEMBL_100014 (CHEMBL709252)	The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprorelin binding to the cloned human Leutinizing releasing hormone receptor (LHRH) receptor.
50000483	5	ChEMBL_1683516 (CHEMBL4033995)	Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measured after 30 mins by UV-absorption method
50036668	4	ChEMBL_200032 (CHEMBL808106)	The compound was tested for the concentration to inhibit 50% of Selectin P by blocking its activity; range is 250-500
50000482	1	ChEBML_1683427	Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli MV1190 pre-incubated for 10 mins before arachidonic acid substrate addition and measured after 10 mins by RP-HPLC method
50000482	2	ChEBML_1683429	Inhibition of mPGES-1 in interleukin-1 beta-stimulated human A549 cells microsomal membranes assessed as reduction in conversion of PGH2 to PGE2 pre-incubated for 15 mins followed by PGH2 substrate addition measured after 1 min by RP-HPLC method
50000483	1	ChEBML_1683519	Inhibition of HDAC8 (unknown origin) using substrate after 30 mins by fluorometric analysis
50000483	2	ChEBML_1683518	Inhibition of HDAC6 (unknown origin) using substrate after 30 mins by fluorometric analysis
50000483	3	ChEBML_1683517	Inhibition of HDAC1 (unknown origin) using substrate after 30 mins by fluorometric analysis
50036669	1	ChEMBL_70273 (CHEMBL681412)	In vitro inhibition of farnesyltransferase from bovine brain
50036670	4	ChEMBL_48359 (CHEMBL663347)	Compound was measured for inhibition of collagenolytic of human Cathepsin L
50036671	1	ChEMBL_60187 (CHEMBL674898)	Affinity towards Dopamine receptor D1
50036671	2	ChEMBL_60374 (CHEMBL672210)	Affinity towards Dopamine receptor D2
50036672	1	ChEMBL_46827 (CHEMBL658061)	Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1)
50036674	1	ChEMBL_155739 (CHEMBL759844)	Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined
50000486	2	ChEMBL_1683724 (CHEMBL4034203)	Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric method
50000484	1	ChEBML_1683677	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50036676	1	ChEMBL_61770 (CHEMBL672947)	relative affinity against Dopamine receptor D2 in striatum using [3H]YM-09151-2 as radioligand
50036676	2	ChEMBL_62305 (CHEMBL675227)	relative affinity against dopamine transporter using WIN-35428 as radioligand
50036676	3	ChEMBL_148700 (CHEMBL882044)	Relative affinity against Opioid receptor mu 1 in thalamus using [3H]DAMGO as radioligand
50036676	4	ChEMBL_145695 (CHEMBL753903)	relative affinity against Opioid receptor kappa 1 in insular Ctx using [3H]U-69593 as radioligand
50036676	5	ChEMBL_58348 (CHEMBL884447)	Relative affinity for Dopamine receptor D1 in striatum using [3H]SCH-23390
50036676	6	ChEMBL_201671 (CHEMBL803045)	relative affinity against serotonin transporter using RTI-55 as radioligand
50036676	7	ChEMBL_62620 (CHEMBL678243)	relative affinity against Dopamine receptor D3 in ventral striatum using [3H](+)-7-OH-DPAT as radioligand
50036677	1	ChEMBL_70564 (CHEMBL682092)	Inhibitory activity against human Farnesyltransferase
50036677	3	ChEMBL_70584 (CHEMBL681321)	Inhibition of human Farnesyltransferase using Ras-CVLS
50036677	4	ChEMBL_70583 (CHEMBL681320)	Inhibition of human Farnesyltransferase using Ras-CVIM
50000484	2	ChEBML_1683686	Inhibition of Flt-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50036677	6	ChEMBL_70565 (CHEMBL682093)	Inhibition of human Farnesyltransferase
50000484	3	ChEBML_1683688	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50000484	4	ChEBML_1683689	Inhibition of VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50000484	5	ChEBML_1683690	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50036678	2	ChEMBL_40294 (CHEMBL884128)	Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.
50000484	6	ChEBML_1683687	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50036679	1	ChEMBL_200367 (CHEMBL805715)	In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
50036679	2	ChEMBL_200517 (CHEMBL801021)	In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand
50036679	3	ChEMBL_200370 (CHEMBL805718)	In vitro binding affinity at sst2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
50036680	5	ChEMBL_72772 (CHEMBL681385)	Inhibitory activity was measured for Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) in Leishmania. mexicana.
50000485	1	ChEBML_1683700	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 sec by Ellman's method
50000485	2	ChEBML_1683701	Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 sec by Ellman's method
50000485	3	ChEBML_1683699	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 sec by Ellman's method
50036682	2	ChEMBL_58999 (CHEMBL872489)	Binding affinity against Dopamine receptor D1 like from bovine retina membranes measured using [3H]SCH-23390 radioligand
50000486	1	ChEBML_1683724	Inhibition of Sprague-Dawley rat kidney ALR1 using sodium D-glucuronate as substrate by spectrophotometric method
50000486	4	ChEMBL_1683725 (CHEMBL4034204)	Inhibition of bovine lens ALR2 using D,L-glyceraldehyde as substrate measured for 4 mins by spectrophotometric method
50000486	5	ChEMBL_1683723 (CHEMBL4034202)	Inhibition of Sprague-Dawley rat lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by spectrophotometric method
50000503	5	ChEMBL_1684252 (CHEMBL4034731)	Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) by TR-FRET assay
50000503	4	ChEMBL_1684254 (CHEMBL4034733)	Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) in presence of BSA by TR-FRET assay
50000488	1	ChEBML_1683729	Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay
50036684	7	ChEMBL_62976 (CHEMBL679851)	Inhibitory activity on dopamine and serotonin transporters in striated membranes using [3H]- paroxetine
50000488	2	ChEBML_1683727	Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay
50000488	3	ChEBML_1683728	Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay
50000488	4	ChEBML_1683726	Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay
50036685	1	ChEMBL_212686 (CHEMBL815471)	The inhibition constant against human trypsin
50036685	2	ChEMBL_155259 (CHEMBL873408)	The inhibition constant against human plasmin
50036685	3	ChEMBL_48833 (CHEMBL661806)	The inhibition constant against human Coagulation factor X
50036685	4	ChEMBL_208547 (CHEMBL814316)	The inhibition constant against human thrombin
50000490	1	ChEBML_1683739	Displacemet of [125I]-alphaBgt from human alpha7 nAChR expressed in rat GH4C1 cells preincubated for 2 to 3 hrs followed by [125I]-alphaBgt addition measured after 5 mins
50000491	1	ChEMBL_1683746 (CHEMBL4034225)	Inhibition of recombinant N-terminal GST-tagged human SphK1 (1 to 384 residues) expressed in baculovirus expression system using sphingosine as substrate after 1 hr in presence of ATP by off-chip mobility shift assay
50000491	2	ChEMBL_1683747 (CHEMBL4034226)	Inhibition of recombinant N-terminal GST-tagged human SphK2 (1 to 618 residues) expressed in baculovirus expression system using sphingosine as substrate after 1 hr in presence of ATP by off-chip mobility shift assay
50000491	3	ChEBML_1683748	Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method
50000491	4	ChEBML_1683759	Inhibition of recombinant human SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence of gamma-[32P]ATP by autoradiography based TLC analysis
50000491	5	ChEMBL_1683750 (CHEMBL4034229)	Inhibition of recombinant C-terminal His6-tagged human SphK1 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1 hr in presence of ATP by microfluidic capillary electrophoresis mobility shift assay
50000491	6	ChEMBL_1683752 (CHEMBL4034231)	Inhibition of recombinant human SphK1 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate in presence of [gamma-33P]ATP by scintillation counting method
50000491	7	ChEBML_1683753	Inhibition of recombinant mouse SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate in presence of [gamma-33P]ATP by scintillation counting method
50000491	8	ChEMBL_1683754 (CHEMBL4034233)	Inhibition of human SphK1 using sphingosine as substrate in presence of [gamma-32P]ATP
50000491	9	ChEMBL_1683756 (CHEMBL4034235)	Inhibition of human SphK1 using sphingosine as substrate after 15 to 20 mins in presence of [gamma-32P]ATP by Cerenkov counting method
50000491	10	ChEMBL_1683757 (CHEMBL4034236)	Inhibition of human SphK2 using sphingosine as substrate after 15 to 20 mins in presence of [gamma-32P]ATP by Cerenkov counting method
50000491	11	ChEMBL_1683758 (CHEMBL4034237)	Inhibition of recombinant human SphK1 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence of gamma-[32P]ATP by autoradiography based TLC analysis
50000491	12	ChEMBL_1683751 (CHEMBL4034230)	Inhibition of human recombinant C-terminal His6 tagged SphK2 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1 hr in presence of ATP by microfluidic capillary electrophoresis mobility shift assay
50000491	13	ChEMBL_1683755 (CHEMBL4034234)	Inhibition of human SphK2 using sphingosine as substrate in presence of [gamma-32P]ATP
50036688	2	ChEMBL_46306 (CHEMBL663450)	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 in Guinea pig ileum (GPI) using [3H]SR-141,716A ligand at site 2
50000491	14	ChEMBL_1683759 (CHEMBL4034238)	Inhibition of recombinant human SphK2 expressed in baculovirus infected sf9 cells using D-erythro-sphingosine as substrate after 20 mins in presence of gamma-[32P]ATP by autoradiography based TLC analysis
50036688	4	ChEMBL_46832 (CHEMBL657301)	Compound was evaluated for its binding affinity against Cannabinoid receptor 2 in Guinea pig ileum (GPI) using [3H]CP-55940 ligand
50000492	1	ChEBML_1683764	Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus infected primary human skeletal muscle myoblasts after 3 hrs by DAPI staining based assay
50000492	2	ChEBML_1683762	Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in baculovirus expression system using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase assay
50000492	3	ChEBML_1683763	Inhibition of full-length recombinant human His-tagged GSK3B recombinant in baculovirus expression system using Alexa-Fluor tracer-236 incubated for 60 mins by TR-FRET based Lantha-screen Eu kinase assay
50036690	1	ChEMBL_64185 (CHEMBL878144)	Ability to inhibit binding of [125I]-ET-1 to membranes prepared from A10 rat cerebellum (Endothelin B receptor)
50036690	2	ChEMBL_63369 (CHEMBL676105)	Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor
50036690	3	ChEMBL_64020 (CHEMBL671541)	Ability to inhibit ET-1 induced contractions in rabbit carotid artery rings (Endothelin B receptor) was determined in an in vitro functional assay.
50036690	4	ChEMBL_63207 (CHEMBL676575)	Ability to inhibit Endothelin A receptor induced contractions in rabbit carotid artery rings (ETA) was determined in an in vitro functional assay.
50036690	5	ChEMBL_63368 (CHEMBL676104)	Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle (Endothelin A receptor) was determined by radioligand binding assay
50036692	1	ChEMBL_195058 (CHEMBL797513)	Inhibition of HIV-1 reverse transcriptase.
50000493	1	ChEBML_1684098	Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry
50000495	1	ChEBML_1684132	Inhibition of HDAC1 (unknown origin) preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50000495	2	ChEBML_1684133	Inhibition of HDAC6 (unknown origin) preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50036697	1	ChEMBL_138956 (CHEMBL742768)	Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M1 by measuring displacement of [3H]- pirenzepine from rat hippocampus
50036697	2	ChEMBL_3162 (CHEMBL617807)	Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex.
50036697	4	ChEMBL_3163 (CHEMBL617808)	Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement of [3H]granisetron from rat cerebral cortex
50036697	5	ChEMBL_140185 (CHEMBL744902)	Compound was evaluated for its binding affinity for Muscarinic acetylcholine receptor M2 by measuring displacement of [3H]- NMS ligand from rat cardiac cells.
50000499	1	ChEBML_1684175	Inhibition of FITC-GA binding to N-terminal domain of HSP90alpha (unknown origin) after 5 hrs by fluorescence polarization assay
50000500	1	ChEBML_1684224	Inhibition of aromatase activity in human T47D cells after 24 hrs
50000501	1	ChEBML_1684241	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate measured after 10 mins by mobility shift assay
50000503	1	ChEBML_1684253	Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) in presence of 1% FBS by TR-FRET assay
50000503	3	ChEMBL_1684253 (CHEMBL4034732)	Inhibition of FITC-Bak-BH3 binding to recombinant MBP-fused MCL1 (172 to 318 residues) (unknown origin) in presence of 1% FBS by TR-FRET assay
50000507	2	ChEMBL_1684306 (CHEMBL4034785)	Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay
50000504	1	ChEBML_1684262	Inhibition of recombinant human full length GST-tagged CDC25A expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as substrate after 2 hrs by fluorimetric analysis
50000504	2	ChEBML_1684263	Inhibition of recombinant human full length GST-tagged CDC25C expressed in Escherichia coli BL21-DE3 pLysS using 3-O-methylfluorescein phosphate as substrate after 2 hrs by fluorimetric analysis
50036700	7	ChEMBL_216982 (CHEMBL822799)	Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax
50000504	3	ChEBML_1684294	Inhibition of recombinant human GST-tagged truncated CDC25B expressed in bacterial expression system using 3-O-methylfluorescein phosphate as substrate after 2 hrs by fluorimetric analysis
50000505	1	ChEBML_1684298	Inhibition of human PIM1 measured after 5 mins by ELISA relative to control
50000507	1	ChEBML_1684306	Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay
50000512	3	ChEMBL_1684530 (CHEMBL4035009)	Inhibition of AChE1 in Anopheles gambiae head extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method
50000512	4	ChEMBL_1684531 (CHEMBL4035010)	Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method
50000509	1	ChEBML_1684313	Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells preincubated for 10 mins followed by ATP addition measured after 1 hr by DELFIA/Time-Resolved fluorometry
50000509	2	ChEBML_1684315	Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis
50036702	1	ChEMBL_154089 (CHEMBL760613)	Inhibition of [3H]-TCP binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50036702	2	ChEMBL_201897 (CHEMBL808188)	Inhibition of [3H]-NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50036702	3	ChEMBL_154092 (CHEMBL760615)	Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50036702	4	ChEMBL_201896 (CHEMBL808187)	Inhibition of [3H]NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50036702	5	ChEMBL_154088 (CHEMBL760612)	Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50036702	6	ChEMBL_154090 (CHEMBL760614)	Inhibition of binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum
50000510	1	ChEBML_1684383	Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay
50000510	2	ChEBML_1684415	Agonist activity at mouse GPR52
50000511	1	ChEBML_1684486	Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis
50000512	1	ChEBML_1684524	Inhibition of recombinant human AChE expressed in HEK293F cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method
50000512	2	ChEBML_1684531	Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method
50000512	5	ChEMBL_1684522 (CHEMBL4035001)	Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method
50000513	3	ChEMBL_1684603 (CHEMBL4035082)	Antagonist activity at TLR9 in human PBMC assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA
50036704	1	ChEMBL_89797 (CHEMBL698515)	Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nM
50036704	2	ChEMBL_89937 (CHEMBL699563)	Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform)
50036704	3	ChEMBL_89938 (CHEMBL699564)	Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nM
50036705	2	ChEMBL_159377 (CHEMBL768810)	Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells.
50000513	5	ChEMBL_1684598 (CHEMBL4035077)	Antagonist activity at human TLR9 expressed in HEK293 cells assessed as inhibition of CpGB-induced NF-kappaB activation after 24 hrs by spectrophotometry based SEAP reporter gene assay
50000513	1	ChEBML_1684604	Antagonist activity at TLR9 in human plasmacytoid dendritic cells assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA
50036706	1	ChEMBL_2601 (CHEMBL617469)	Ability to displace [3H]ketanserin bound to 5-hydroxytryptamine 2A receptor in rat pre-frontal cortex
50036706	3	ChEMBL_201801 (CHEMBL806136)	Ability to displace [3H]paroxetine bound to Serotonin transporter receptor in rat forebrain
50036706	4	ChEMBL_1787 (CHEMBL616761)	Ability to displace [3H]5-HT bound to 5-hydroxytryptamine 1B receptor in rat striatum
50036706	5	ChEMBL_1304 (CHEMBL616681)	Ability to displace [3H]- -OH-DPAT bound to 5-hydroxytryptamine 1A receptor in rat hippocampus
50036706	7	ChEMBL_2599 (CHEMBL617467)	Ability to displace [3H]- ketanserin bound to 5-hydroxytryptamine 2A receptor in rat pre-frontal cortex
50036706	8	ChEMBL_1305 (CHEMBL616682)	Ability to displace [3H]- -(OH)-DPAT bound to 5-hydroxytryptamine 1A receptor in rat hippocampus
50036707	1	ChEMBL_200651 (CHEMBL802983)	Compound was tested for inhibitory concentration against Influenza sialidase type B
50036707	2	ChEMBL_200637 (CHEMBL802971)	Compound was tested for inhibitory concentration against Influenza sialidase type A
50036707	3	ChEMBL_200808 (CHEMBL882258)	Compound was tested for inhibitory concentration against Influenza sialidase type A
50036707	4	ChEMBL_200811 (CHEMBL809160)	Compound was tested for inhibitory concentration against Influenza sialidase type A
50036707	5	ChEMBL_200809 (CHEMBL809158)	Compound was tested for inhibitory concentration against Influenza sialidase type B
50000513	2	ChEBML_1684601	Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of CL264-induced NF-kappaB activation after 24 hrs by spectrophotometry based SEAP reporter gene assay
50000513	4	ChEMBL_1684604 (CHEMBL4035083)	Antagonist activity at TLR9 in human plasmacytoid dendritic cells assessed as inhibition of CpGA-induced IFN-alpha production after 18 hrs by ELISA
50000517	52	ChEMBL_1684737 (CHEMBL4035216)	Inhibition of recombinant human HDAC8 using Boc-Lys (Ac)-AMC substrate by fluorescence assay
50000521	4	ChEMBL_1684871 (CHEMBL4035350)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence of NADP+ by HPLC analysis
50000514	1	ChEBML_1684608	Inhibition of MELK (unknown origin)
50000514	2	ChEBML_1684620	Inhibition of FER (unknown origin)
50000514	3	ChEBML_1684619	Inhibition of CaMK1alpha (unknown origin)
50000514	4	ChEBML_1684617	Inhibition of BLK (unknown origin)
50000514	5	ChEBML_1684616	Inhibition of FGFR1 (unknown origin)
50000514	6	ChEBML_1684614	Inhibition of ERBB4/HER4 (unknown origin)
50000514	7	ChEBML_1684605	Inhibition of CaMK2delta (unknown origin)
50000514	8	ChEBML_1684612	Inhibition of IR (unknown origin)
50036709	3	ChEMBL_49347 (CHEMBL663295)	Inhibition of [3H]cocaine binding to Cocaine receptor in rat striatal membranes
50000514	9	ChEBML_1684610	Inhibition of CSK (unknown origin)
50000514	10	ChEBML_1684609	Inhibition of BMX/ETK (unknown origin)
50000514	11	ChEBML_1684606	Inhibition of CaMK2gamma (unknown origin)
50000514	12	ChEBML_1684618	Inhibition of LYN B (unknown origin)
50000514	13	ChEBML_1684615	Inhibition of CTK/MATK (unknown origin)
50000514	14	ChEBML_1684611	Inhibition of TIE2/TEK (unknown origin)
50000514	15	ChEBML_1684607	Inhibition of BTK (unknown origin)
50000515	1	ChEBML_1684649	Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells
50000515	2	ChEMBL_1684648 (CHEMBL4035127)	Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells after 1 hr by liquid scintillation counting method
50000515	3	ChEMBL_1684649 (CHEMBL4035128)	Displacement of [3H]-LSD from human 5-HT6R expressed in human HeLa cells
50000515	4	ChEMBL_1684644 (CHEMBL4035123)	Binding affinity to human 5HT6R
50000515	5	ChEBML_1684645	Displacement of [3H]-histamine from human histamine H4R expressed in insect Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting method
50000516	1	ChEBML_1684684	Inhibition of IL-6 signaling pathway in human HepG2 cells transfected with p-STAT3-Luc assessed as reduction in IL-6 induced STAT3 phosphorylation preincubated for 1 hr followed by IL-6 induction measured after 10 mins by immunoblot analysis
50000517	1	ChEMBL_1684769 (CHEMBL4035248)	Inhibition of HDAC4 (unknown origin) by fluorescence assay
50000517	2	ChEMBL_1684694 (CHEMBL4035173)	Inhibition of human HDAC6 after 15 mins by trypsin-coupled fluorescence assay
50000517	3	ChEMBL_1684695 (CHEMBL4035174)	Inhibition of human HDAC1 after 15 mins by trypsin-coupled fluorescence assay
50000517	4	ChEMBL_1684696 (CHEMBL4035175)	Inhibition of human HDAC2 after 15 mins by trypsin-coupled fluorescence assay
50000517	5	ChEMBL_1684697 (CHEMBL4035176)	Inhibition of human HDAC3 after 15 mins by by trypsin-coupled fluorescence assay
50000517	6	ChEMBL_1684698 (CHEMBL4035177)	Inhibition of human HDAC4 after 15 mins by trypsin-coupled fluorescence assay
50000517	7	ChEMBL_1684699 (CHEMBL4035178)	Inhibition of human HDAC5 after 15 mins by trypsin-coupled fluorescence assay
50000517	8	ChEMBL_1684700 (CHEMBL4035179)	Inhibition of human HDAC7 after 15 mins by trypsin-coupled fluorescence assay
50000517	9	ChEMBL_1684701 (CHEMBL4035180)	Inhibition of human HDAC8 after 15 mins by trypsin-coupled fluorescence assay
50000517	10	ChEMBL_1684702 (CHEMBL4035181)	Inhibition of human HDAC9 after 15 mins by trypsin-coupled fluorescence assay
50000517	11	ChEMBL_1684703 (CHEMBL4035182)	Inhibition of human HDAC10 after 15 mins by trypsin-coupled fluorescence assay
50000517	12	ChEMBL_1684704 (CHEMBL4035183)	Inhibition of human HDAC11 after 15 mins by trypsin-coupled fluorescence assay
50000517	13	ChEBML_1684706	Inhibition of maize HD1B
50000517	14	ChEMBL_1684722 (CHEMBL4035201)	Inhibition of HDAC1 (unknown origin)
50000517	15	ChEMBL_1684723 (CHEMBL4035202)	Inhibition of HDAC2 (unknown origin)
50000517	16	ChEBML_1684724	Inhibition of HDAC3 (unknown origin)
50000517	17	ChEBML_1684750	Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	18	ChEBML_1684751	Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	19	ChEBML_1684758	Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay
50000517	20	ChEBML_1684753	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	21	ChEBML_1684754	Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence assay
50000517	22	ChEBML_1684755	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system after 2 hrs by fluorescence assay
50000517	23	ChEBML_1684756	Inhibition of N-terminal GST-tagged human HDAC10 (1 to 631 residues) expressed in baculovirus expression system in Sf9 cells RHKAcKAc after 2 hrs by fluorescence assay
50000517	24	ChEMBL_1684770 (CHEMBL4035249)	Inhibition of HDAC6 (unknown origin) by fluorescence assay
50000517	25	ChEMBL_1684771 (CHEMBL4035250)	Inhibition of HDAC8 (unknown origin) by fluorescence assay
50000517	26	ChEBML_1684757	Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression systemRHKAcKAc after 2 hrs by fluorescence assay
50000517	27	ChEMBL_1684733 (CHEMBL4035212)	Inhibition of recombinant human HDAC2 using Boc-Lys (Ac)-AMC substrate by fluorescence assay
50000517	28	ChEMBL_1684735 (CHEMBL4035214)	Inhibition of recombinant human HDAC3 using Boc-Lys (Ac)-AMC substrate by fluorescence assay
50000517	29	ChEMBL_1684736 (CHEMBL4035215)	Inhibition of recombinant human HDAC6 using Boc-Lys (Ac)-AMC substrate by fluorescence assay
50000517	30	ChEMBL_1684738 (CHEMBL4035217)	Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay
50000517	31	ChEMBL_1684739 (CHEMBL4035218)	Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay
50000517	32	ChEMBL_1684740 (CHEMBL4035219)	Inhibition of human HDAC4 using RHKKAc as substrate by fluorescence assay
50000517	33	ChEMBL_1684742 (CHEMBL4035221)	Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay
50000517	34	ChEMBL_1684743 (CHEMBL4035222)	Inhibition of human HDAC8 using RHKKAc as substrate by fluorescence assay
50000517	35	ChEMBL_1684747 (CHEMBL4035226)	Inhibition of C-terminal GST-tagged full length human HDAC1 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	36	ChEMBL_1684749 (CHEMBL4035228)	Inhibition of C-terminal His-tagged full length human HDAC3 expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	37	ChEMBL_1684750 (CHEMBL4035229)	Inhibition of N-terminal GST-tagged human HDAC4 (627 to 1085 residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	38	ChEMBL_1684751 (CHEMBL4035230)	Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	39	ChEMBL_1684753 (CHEMBL4035232)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	40	ChEMBL_1684754 (CHEMBL4035233)	Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence assay
50000517	41	ChEMBL_1684756 (CHEMBL4035235)	Inhibition of N-terminal GST-tagged human HDAC10 (1 to 631 residues) expressed in baculovirus expression system in Sf9 cells RHKAcKAc after 2 hrs by fluorescence assay
50000517	42	ChEMBL_1684757 (CHEMBL4035236)	Inhibition of N-terminal GST-tagged human HDAC11 expressed in baculovirus expression systemRHKAcKAc after 2 hrs by fluorescence assay
50000517	43	ChEMBL_1684758 (CHEMBL4035237)	Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate after 1 hr by fluorescence assay
50000517	44	ChEMBL_1684760 (CHEMBL4035239)	Inhibition of HDAC2 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	45	ChEMBL_1684761 (CHEMBL4035240)	Inhibition of HDAC3 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	46	ChEMBL_1684762 (CHEMBL4035241)	Inhibition of HDAC6 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	47	ChEMBL_1684764 (CHEMBL4035243)	Inhibition of HDAC10 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	48	ChEMBL_1684765 (CHEMBL4035244)	Inhibition of human HDAC8 using ZMTFAL as substrate after 90 mins by fluorescence assay
50000517	49	ChEMBL_1684766 (CHEMBL4035245)	Inhibition of HDAC1 (unknown origin) by fluorescence assay
50000517	50	ChEMBL_1684768 (CHEMBL4035247)	Inhibition of HDAC3 (unknown origin) by fluorescence assay
50000517	51	ChEMBL_1684734 (CHEMBL4035213)	Inhibition of recombinant human HDAC1 using Boc-Lys (Ac)-AMC substrate by fluorescence assay
50000521	29	ChEMBL_1684846 (CHEMBL4035325)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADP+ by fluorimetric analysis
50000517	53	ChEMBL_1684741 (CHEMBL4035220)	Inhibition of human HDAC5 using RHKKAc as substrate by fluorescence assay
50000517	54	ChEMBL_1684744 (CHEMBL4035223)	Inhibition of human HDAC10 using RHKKAc as substrate by fluorescence assay
50000517	55	ChEMBL_1684748 (CHEMBL4035227)	Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50000517	56	ChEMBL_1684752 (CHEMBL4035231)	Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus expression system in Sf9 cells using AMC-labeled RHKKAc as substrate after 2 hrs by fluorescence assay
50036713	2	ChEMBL_89358 (CHEMBL699688)	The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined
50036713	3	ChEMBL_143358 (CHEMBL751652)	Inhibitory activity evaluated from soluble cell extract of human nNeuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatography
50036713	4	ChEMBL_143357 (CHEMBL751281)	Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatography
50036713	5	ChEMBL_143356 (CHEMBL751280)	Inhibitory activity evaluated from soluble cell extract of Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatography
50036713	6	ChEMBL_65296 (CHEMBL676785)	Inhibitory activity evaluated from soluble cell extract of human endothelia constitutive enzyme (Endothelial nitric oxide synthase) and partially purified by DEAE-sepharose chromatography
50000517	57	ChEMBL_1684755 (CHEMBL4035234)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system after 2 hrs by fluorescence assay
50036713	7	ChEMBL_89210 (CHEMBL702447)	Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase
50000517	58	ChEBML_1684759	Inhibition of HDAC1 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	59	ChEMBL_1684763 (CHEMBL4035242)	Inhibition of HDAC7 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50000517	60	ChEBML_1684760	Inhibition of HDAC2 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 15 mins by fluorescence assay
50036714	6	ChEMBL_209305 (CHEMBL811760)	Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS.
50000518	1	ChEBML_1684789	Inhibition of recombinant human CYP3A4 expressed in baculosomes using BOMR as substrate preincubated for 10 mins followed by substrate/NADP+ addition measured for 1 hr
50000521	1	ChEMBL_1684895 (CHEMBL4035374)	Inhibition of recombinant human CYP1A2 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by spectrofluorometric assay
50000521	2	ChEMBL_1684857 (CHEMBL4035336)	Inhibition of CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate after 3 mins in presence of NADP+ by fluorescence assay
50000521	3	ChEMBL_1684870 (CHEMBL4035349)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 4-estradiol as substrate in presence of NADP+ by Michaelis-Menten plot analysis
50000521	24	ChEMBL_1684837 (CHEMBL4035316)	Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by fluorescence spectrophotometric analysis
50000521	5	ChEMBL_1684872 (CHEMBL4035351)	Inhibition of human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate after 20 mins in presence of NADP by Dixon plot analysis
50000521	6	ChEMBL_1684873 (CHEMBL4035352)	Inhibition of recombinant CYP1A1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as substrate after 10 mins in presence of NADP+
50000521	7	ChEMBL_1684874 (CHEMBL4035353)	Inhibition of recombinant CYP1B1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as substrate after 10 mins in presence of NADP+
50000521	8	ChEMBL_1684875 (CHEMBL4035354)	Inhibition of human CYP1A1 expressed in Escherichia coli coexpressing CYP reductase using 7-Ethoxyresorufin as substrate by fluorescence spectrophotometric analysis
50000521	9	ChEMBL_1684877 (CHEMBL4035356)	Competitive inhibition of human liver microsomes CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate measured every 5 mins for 30 mins in presence of NADPH by fluorescence assay
50000521	10	ChEMBL_1684878 (CHEMBL4035357)	Competitive inhibition of human liver microsomes CYP1A2 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate measured every 5 mins for 30 mins in presence of NADPH by fluorescence assay
50000521	11	ChEMBL_1684881 (CHEMBL4035360)	Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate after 20 mins in presence of NADPH by fluorescence assay
50000521	12	ChEMBL_1684883 (CHEMBL4035362)	Inhibition of CYP1B1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by spectrofluorimetric analysis
50000521	13	ChEMBL_1684884 (CHEMBL4035363)	Inhibition of CYP1A1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by spectrofluorimetric analysis
50000521	14	ChEMBL_1684885 (CHEMBL4035364)	Mixed type inhibition of human hepatic microsomes CYP1A1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis
50036716	1	ChEMBL_64360 (CHEMBL679847)	Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).
50036716	2	ChEMBL_144609 (CHEMBL751028)	Inhibitory activity against neutral endopeptidase (NEP).
50000521	15	ChEMBL_1684887 (CHEMBL4035366)	Mixed type inhibition of human hepatic microsomes CYP1B1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis
50000521	16	ChEMBL_1684888 (CHEMBL4035367)	Inhibition of CYP1B1 (unknown origin) expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 7-Ethoxyresorufin as substrate up to 6 mins in presence of NADP+ by spectrofluorometric analysis
50000521	17	ChEMBL_1684889 (CHEMBL4035368)	Inhibition of CYP1A1 (unknown origin) expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 7-Ethoxyresorufin as substrate up to 6 mins in presence of NADP+ by spectrofluorometric analysis
50036718	3	ChEMBL_152397 (CHEMBL764113)	In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)
50000521	18	ChEBML_1684878	Competitive inhibition of human liver microsomes CYP1A2 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate measured every 5 mins for 30 mins in presence of NADPH by fluorescence assay
50036718	4	ChEMBL_152398 (CHEMBL764114)	In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)
50000521	19	ChEMBL_1684891 (CHEMBL4035370)	Inhibition of human CYP1A1 expressed in Escherichia coli
50000521	20	ChEMBL_1684893 (CHEMBL4035372)	Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by spectrofluorometric assay
50000521	21	ChEMBL_1684841 (CHEMBL4035320)	Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by Lineweaver-Burk plot analysis
50000521	22	ChEMBL_1684842 (CHEMBL4035321)	Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by Lineweaver-Burk plot analysis
50000521	23	ChEMBL_1684838 (CHEMBL4035317)	Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by Lineweaver-Burk plot analysis
50000521	48	ChEMBL_1684882 (CHEMBL4035361)	Inhibition of CYP1B1 in TCDD-exposed human MCF-7 cells using ethoxyresorufin as substrate after 20 mins in presence of NADPH by Lineweaver-Burk linear regression plot analysis
50000521	25	ChEMBL_1684839 (CHEMBL4035318)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADPH by fluorimetric analysis
50000521	26	ChEMBL_1684840 (CHEMBL4035319)	Inhibition of human CYP1A1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADPH by fluorimetric analysis
50000521	27	ChEMBL_1684843 (CHEMBL4035322)	Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase in using 7-ethoxyresorufin as substrate in presence of NADPH by fluorimetric analysis
50000521	28	ChEMBL_1684845 (CHEMBL4035324)	Inhibition of CYP1B1 (unknown origin) expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate after 2 to 6 mins in presence of NADPH by double reciprocal plot analysis
50000521	32	ChEMBL_1684859 (CHEMBL4035338)	Inhibition of recombinant human CYP1B1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as substrate by fluorescence spectrophotometric analysis
50000521	30	ChEMBL_1684847 (CHEMBL4035326)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing human NADPH P450 reductase using 7-ethoxyresorufin as substrate in presence of NADP+ by spectrofluorometeric analysis
50000521	31	ChEMBL_1684858 (CHEMBL4035337)	Competitive inhibition of CYP1B1 (unknown origin) expressed in yeast microsomes using (-)benzo[a]pyrene-7R-trans-7,8-dihyrodiol (B[a]P-7,8-diol) as substrate
50000521	42	ChEMBL_1684853 (CHEMBL4035332)	Inhibition of CYP1B1 (unknown origin)
50000521	33	ChEMBL_1684860 (CHEMBL4035339)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as substrate by fluorescence spectrophotometric analysis
50036719	1	ChEMBL_104722 (CHEMBL710132)	Inhibition of human matrix metalloprotease-3
50000521	34	ChEMBL_1684862 (CHEMBL4035341)	Inhibition of recombinant human CYP1A1 expressed in supersomes using 7-ethoxyresorufin O-deethylation as substrate after 5 mins in presence of NADP+ by spectrofluorimetric analysis
50000521	35	ChEMBL_1684863 (CHEMBL4035342)	Inhibition of recombinant human CYP1A2 expressed in supersomes using 7-ethoxyresorufin O-deethylation as substrate after 5 mins in presence of NADP+ by spectrofluorimetric analysis
50036719	5	ChEMBL_105038 (CHEMBL711552)	Inhibition of human matrix metalloprotease 7
50036719	7	ChEMBL_105359 (CHEMBL714517)	Inhibition of human matrix metalloprotease 9
50036719	8	ChEMBL_106617 (CHEMBL717001)	Inhibition of rat matrix metalloprotease 13
50036719	9	ChEMBL_106146 (CHEMBL718693)	Inhibition of human matrix metalloprotease 1
50000521	36	ChEMBL_1684865 (CHEMBL4035344)	Inhibition of human liver microsomes CYP1A2 expressed in Escherichia coli DH5alpha coexpressing NADPH-P450 reductase using 7-ethoxyresorufin O-deethylation as substrate in presence of NADPH by UV absorbance analysis
50036719	10	ChEMBL_101926 (CHEMBL710556)	Inhibition of human matrix metalloprotease 2
50036719	11	ChEMBL_105809 (CHEMBL717809)	Inhibition of human Matrix metalloprotease-8
50036720	1	ChEMBL_221635 (CHEMBL823025)	Binding affinity towards p56 Lck tyrosine kinase SH2 domain was determined by biological assay
50000521	37	ChEMBL_1684866 (CHEMBL4035345)	Inhibition of human liver microsomes CYP1B1 expressed in Escherichia coli DH5alpha coexpressing NADPH-P450 reductase using 7-ethoxyresorufin O-deethylation as substrate in presence of NADPH by UV absorbance analysis
50000521	38	ChEBML_1684837	Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by fluorescence spectrophotometric analysis
50000521	39	ChEMBL_1684848 (CHEMBL4035327)	Inhibition of recombinant human CYP1A2 expressed in Escherichia coli DH5alpha coexpressing human NADPH-cytochrome P450 reductase in using 7-ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by Lineweaver-Burk plot analysis
50000521	40	ChEMBL_1684850 (CHEMBL4035329)	Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH by fluorimetric analysis
50000521	41	ChEMBL_1684851 (CHEMBL4035330)	Inhibition of recombinant human CYP1A1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH by fluorimetric analysis
50000521	43	ChEMBL_1684854 (CHEMBL4035333)	Inhibition of CYP1B1 in human liver microsomes using ethoxyresorufin as substrate preincubated for 2 mins followed by NADPH addition measured after 5 mins by fluorescence assay
50000521	44	ChEMBL_1684855 (CHEMBL4035334)	Inhibition of CYP1A1 in human liver microsomes using ethoxyresorufin as substrate preincubated for 2 mins followed by NADPH addition measured after 5 mins by fluorescence assay
50000521	45	ChEMBL_1684856 (CHEMBL4035335)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate preincubated for 2 mins followed by NADPH addition measured after 5 mins by fluorescence assay
50036723	2	ChEMBL_105811 (CHEMBL717811)	Inhibition of human neutrophil collagenase, Matrix Metalloprotease-8
50000521	46	ChEMBL_1684876 (CHEMBL4035355)	Inhibition of human CYP1B1 expressed in Escherichia coli coexpressing CYP reductase using 7-Ethoxyresorufin as substrate by fluorescence spectrophotometric analysis
50000521	47	ChEMBL_1684879 (CHEMBL4035358)	Competitive inhibition of human liver microsomes CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-Ethoxyresorufin as substrate measured every 5 mins for 30 mins in presence of NADPH by fluorescence assay
50036725	1	ChEMBL_139614 (CHEMBL880146)	Compound was tested for its potency at M-2 receptor by inhibiting forskolin induced c-AMP formation in CHO-M2 cells human M2 receptor
50036725	4	ChEMBL_140047 (CHEMBL745864)	Inhibition of [3H]- Oxo-M binding at Muscarinic acetylcholine receptor M2 in rat brain membranes.
50036725	5	ChEMBL_138552 (CHEMBL746419)	Compound was tested for its ability to stimulate phosphoinositol (PI) hydrolysis in the mouse fibroblast cell line A9L-M1 expressing Muscarinic acetylcholine receptor M1 (100 uM concentration)
50000521	49	ChEMBL_1684886 (CHEMBL4035365)	Mixed type inhibition of human hepatic microsomes CYP1A2 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis
50036725	7	ChEMBL_139616 (CHEMBL744781)	Compound was tested for its potency at Muscarinic acetylcholine receptor M2 by inhibiting forskolin induced c-AMP formation in CHO-M2 cells
50000521	50	ChEMBL_1684894 (CHEMBL4035373)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5alpha using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by spectrofluorometric assay
50000523	7	ChEMBL_1684927 (CHEMBL4035406)	Positive allosteric modulation of human CCR5 expressed in HEK293T cells co-expressing CAMYEL assessed as increase in CCL4-induced inhibition of forskolin-stimulated cAMP accumulation after 10 mins by BRET assay
50000523	8	ChEMBL_1684931 (CHEMBL4035410)	Antagonist activity at human CCR2b expressed in human Chem1 cells assessed as inhibition of human recombinant CCL2 induced Ca2+ mobilization preincubated for 10 mins followed by CCL2 induction measured every sec for 120 secs by Fluo-4-AM dye-based fluorescence assay
50000521	51	ChEMBL_1684849 (CHEMBL4035328)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5alpha coexpressing human NADPH-cytochrome P450 reductase in using 7-ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by Lineweaver-Burk plot analysis
50000521	52	ChEMBL_1684852 (CHEMBL4035331)	Inhibition of human liver microsomes CYP1B1 expressed in baculovirus infected insect cells coexpressing human NADPH-cytochrome P450 reductase using 7-ethoxyresorufin as substrate after 3 mins in presence of NADPH by Lineweaver-Burk plot analysis
50000521	53	ChEBML_1684873	Inhibition of recombinant CYP1A1 (unknown origin) expressed in Escherichia coli DH5alphaF'Iq coexpressing human NADPH-P450 reductase using E2-d4 as substrate after 10 mins in presence of NADP+
50000522	1	ChEBML_1684924	Inhibition of human recombinant topoisomerase-2alpha expressed in Escherichia coli assessed as decrease in relaxation of supercoiled DNA pBR322 after 30 mins by ethidium bromide staining-based agarose gel electrophoresis
50000523	1	ChEMBL_1684925 (CHEMBL4035404)	Displacement of [3H]INCB3344 from human CCR2 expressed in human U2OS cells after 120 mins by scintillation spectrometric analysis
50000523	3	ChEBML_1684933	Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis
50036728	1	ChEMBL_203034 (CHEMBL812968)	Compound was tested for its ability to inhibit the transformation of [C14]-DHEAS to DHEA by steroid sulfatase derived from human embryonal kidney cell
50036728	2	ChEMBL_202919 (CHEMBL810263)	Compound was tested for its ability to inhibit human embryonal kidney cell derived steroid sulfatase activity in transforming [3H]E1S (estrone sulfate) to E1
50036729	1	ChEMBL_148264 (CHEMBL753864)	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 mM EDTA at pH 8.0.
50036729	2	ChEMBL_148265 (CHEMBL753865)	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 mM EDTA at pH 7.0.
50036729	3	ChEMBL_148266 (CHEMBL750183)	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 mM EDTA at pH 6.0.
50036730	1	ChEMBL_45424 (CHEMBL657025)	Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).
50036730	2	ChEMBL_45078 (CHEMBL657149)	Inhibitory activity against human recombinant carbonic anhydrase II
50036730	3	ChEMBL_47514 (CHEMBL657824)	Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).
50036730	4	ChEMBL_47513 (CHEMBL657823)	Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)
50036730	5	ChEMBL_45077 (CHEMBL657148)	Inhibitory activity against human cloned Carbonic anhydrase II (hCA II, cytosolic form).
50036731	1	ChEMBL_210073 (CHEMBL813597)	Inhibitory activity against telomerase
50000523	2	ChEMBL_1684926 (CHEMBL4035405)	Displacement of [3H]TAK-779 from CCR5 (unknown origin) after 120 mins by scintillation counting method
50000523	5	ChEMBL_1684932 (CHEMBL4035411)	Displacement of [125I]RANTES from human CCR2 expressed in CHO cells after 40 mins by scintillation counting analysis
50000530	6	ChEMBL_1685045 (CHEMBL4035524)	Binding affinity to CK2alpha/beta (unknown origin) expressed in Escherichia coli BL21(DE3) by ITC
50000523	6	ChEMBL_1684933 (CHEMBL4035412)	Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis
50000530	7	ChEMBL_1685041 (CHEMBL4035520)	Binding affinity to CK2alpha (unknown origin) by ITC
50000523	4	ChEBML_1684925	Displacement of [3H]INCB3344 from human CCR2 expressed in human U2OS cells after 120 mins by scintillation spectrometric analysis
50000524	1	ChEBML_1684939	Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from recombinant human OX2 receptor expressed in CHO cell membranes after 3 hrs by Topcount method
50000524	2	ChEBML_1684940	Antagonist activity at mineralocorticoid receptor (unknown origin)
50000525	1	ChEBML_1684945	Inhibition of galectin-3 in C57BL/6 mouse jejunum using SK-5100 as substrate incubated for 30 mins by VAA staining based microscopic analysis
50000527	1	ChEBML_1684948	Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 cells assessed as inhibition of prostaglandin-E2-induced increase in intracellular calcium level preincubated for 60 secs followed by prostaglandin-E2 addition measured for 60 secs by Fluo 4-AM dye based fluorescence assay
50036733	1	ChEMBL_208540 (CHEMBL813634)	The binding affinity towards thrombin obtained from human purified enzymes.
50036733	2	ChEMBL_212880 (CHEMBL824708)	The binding affinity was measured towards human purified trypsin
50036733	3	ChEMBL_49168 (CHEMBL663267)	Binding affinity to purified human coagulation factor Xa (FXa)
50036733	4	ChEMBL_212879 (CHEMBL824707)	The binding affinity was measured on trypsin obtained from Human purified enzymes
50036736	1	ChEMBL_3259 (CHEMBL617869)	Displacement of [3H]GR-113808 from 5-hydroxytryptamine 4 receptor in guinea pig striatum
50036736	2	ChEMBL_3276 (CHEMBL619077)	Binding affinity against 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as radioligand
50036736	3	ChEMBL_3001 (CHEMBL619791)	Inhibitory concentration against 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-LY 278584 as radioligand
50036736	4	ChEMBL_3174 (CHEMBL617702)	Inhibitory concentration against 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-LY 278584 as radioligand
50000528	1	ChEBML_1684964	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50036738	1	ChEMBL_209197 (CHEMBL817325)	The compound was tested for competition binding with [3H]NKA against the CHO cells from cloned human Tachykinin receptor 2
50036739	1	ChEMBL_67986 (CHEMBL679542)	In vitro inhibition of estrone sulfatase in placental microsomes
50036740	1	ChEMBL_89369 (CHEMBL699602)	Nitric Oxide Synthase Inhibitory activity tested against recombinant murine Inducible nitric oxide synthase (inducible isoform)
50036740	2	ChEMBL_65152 (CHEMBL679293)	Nitric Oxide Synthase Inhibitory activity tested against recombinant bovine eNOS (Endothelial nitric oxide synthase)
50036740	3	ChEMBL_143345 (CHEMBL751927)	Nitric Oxide Synthase Inhibitory activity tested against bovine brain nNOS (Neuronal nitric oxide synthase)
50036741	1	ChEMBL_84698 (CHEMBL692702)	Compound tested for its inhibitory activity against Histamine H1 receptor
50036741	2	ChEMBL_85065 (CHEMBL692776)	Inhibitory activity against brain adenylate cyclase Histamine H2 receptor
50036741	4	ChEMBL_33160 (CHEMBL642945)	Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor
50000528	2	ChEBML_1684965	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50036742	1	ChEMBL_41432 (CHEMBL654411)	Inhibition of butyrylcholinesterase (BChE) activity in human serum
50036742	2	ChEMBL_27821 (CHEMBL636711)	Inhibition of acetylcholinesterase (AChE)activity in bovine erythrocytes
50036743	1	ChEMBL_208915 (CHEMBL814970)	Inhibitory activity against thrombin
50036743	2	ChEMBL_49328 (CHEMBL660846)	Inhibitory activity against Coagulation factor Xa
50036744	1	ChEMBL_70716 (CHEMBL682420)	Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase
50036744	2	ChEMBL_71683 (CHEMBL681675)	Inhibition of [3H]GGPP incorporation into recombinant human Ha-RasCVLL by Geranylgeranyl transferase from bovine brain
50036744	3	ChEMBL_70604 (CHEMBL678495)	Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesyltransferase
50036745	1	ChEMBL_28428 (CHEMBL875660)	Inhibitory activity against AICAR formyltransferase
50036745	2	ChEMBL_28413 (CHEMBL642457)	Inhibitory activity against AICAR formyltransferase
50036745	3	ChEMBL_28429 (CHEMBL642471)	Binding affinity towards AICAR formyltransferase
50036746	1	ChEMBL_202725 (CHEMBL807623)	In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes
50036746	2	ChEMBL_202726 (CHEMBL807624)	In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes
50036746	3	ChEMBL_202724 (CHEMBL807622)	In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes
50036747	1	ChEMBL_61849 (CHEMBL670036)	Inhibition of [3H]dopamine uptake in rat caudate putamen tissue.
50036747	2	ChEMBL_62485 (CHEMBL677377)	Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.
50000528	3	ChEBML_1684960	Inhibition of 5% rat cortex homogenate AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50000528	4	ChEBML_1684959	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate after 15 mins by Ellman's method
50000528	5	ChEBML_1684958	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50036749	1	ChEMBL_212180 (CHEMBL817744)	Inhibitory activity against bovine pancreatic trypsin
50036749	2	ChEMBL_49301 (CHEMBL661582)	Compound was evaluated for the inhibition of human Coagulation factor Xa
50036749	3	ChEMBL_208339 (CHEMBL813571)	Inhibition of human thrombin
50036749	4	ChEMBL_155426 (CHEMBL765092)	Compound was evaluated for the inhibition of plasmin
50036749	5	ChEMBL_208341 (CHEMBL813652)	Compound was evaluated for the inhibition of thrombin.
50036749	6	ChEMBL_27854 (CHEMBL642279)	Compound was evaluated for the inhibition of activated protein C (aPC)
50036749	7	ChEMBL_27853 (CHEMBL642278)	Compound was evaluated for the inhibition of Activated protein C (aPC)
50036749	8	ChEMBL_208075 (CHEMBL813534)	Compound was evaluated for the inhibition of Tissue type plasminogen activator (tissue plasminogen activator)
50036750	1	ChEMBL_147712 (CHEMBL759182)	Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes
50036751	1	ChEMBL_201346 (CHEMBL806208)	Inhibition of [3H]- 5-HT uptake in HEK cells expressing serotonin transporter
50036751	2	ChEMBL_201477 (CHEMBL804586)	Inhibition of [125I]RTI-55 binding to serotonin transporter (SERT) expressed in HEK cells
50036751	4	ChEMBL_61660 (CHEMBL670937)	Inhibition of [125I]RTI-55 binding at Dopamine transporter (DAT) expressed in HEK cells
50036751	5	ChEMBL_61508 (CHEMBL879869)	Inhibition of [3H]DA uptake in HEK cells expressing dopamine transporter
50036751	6	ChEMBL_142935 (CHEMBL750364)	Inhibition of [125I]RTI-55 binding to norepinephrine transporter (NET) expressed in HEK cells
50036751	3	ChEMBL_142802 (CHEMBL751375)	Inhibition of [3H]- NE uptake in HEK cells expressing norepinephrine transporter
50036751	7	ChEMBL_142936 (CHEMBL750365)	Compound was tested for its affinity by the inhibition of [125I]RTI-55 binding at norepinephrine transporter (NET) transfected in HEK cells
50036752	1	ChEMBL_47518 (CHEMBL657828)	Inhibitory activity against human recombinant carbonic anhydrase I (CA1)
50036752	2	ChEMBL_45082 (CHEMBL657153)	Inhibitory activity against human recombinant carbonic anhydrase II (CA2)
50036752	3	ChEMBL_45427 (CHEMBL657028)	Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes
50036753	1	ChEMBL_201566 (CHEMBL804721)	Inhibitory activity towards Sigma opioid receptor type 1
50036753	2	ChEMBL_145851 (CHEMBL756114)	Inhibitory activity for kappa opioid receptor
50036753	3	ChEMBL_29406 (CHEMBL643379)	Enzyme inhibitory activity towards Acetylcholinesterase
50036753	4	ChEMBL_145797 (CHEMBL756064)	Inhibition of Opioid receptor kappa 1 binding
50036753	5	ChEMBL_36006 (CHEMBL644714)	Enzyme inhibitory activity towards Angiotensin I converting enzyme
50036753	6	ChEMBL_149309 (CHEMBL757305)	Antagonistic activity towards Opioid receptor mu 1
50036753	7	ChEMBL_159571 (CHEMBL765858)	Enzyme inhibitory activity towards Prostaglandin G/H synthase 1
50036753	9	ChEMBL_145933 (CHEMBL748536)	Inhibitory activity towards Opioid receptor kappa 1
50036754	1	ChEMBL_70574 (CHEMBL682707)	Inhibition of recombinant farnesyltransferase (mFTase) in scintillation proximity assay
50036754	2	ChEMBL_71966 (CHEMBL684159)	Inhibition of recombinant Geranylgeranyl transferase type I in scintillation proximity assay
50036755	1	ChEMBL_212403 (CHEMBL816155)	The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.
50036756	1	ChEMBL_61765 (CHEMBL674930)	In vitro binding affinity at Dopamine receptor D2 of rat striatal membranes by [3H]-raclopride displacement.
50036756	2	ChEMBL_201575 (CHEMBL809049)	In vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.
50036756	3	ChEMBL_201577 (CHEMBL809051)	TIn vitro binding affinity at Sigma opioid receptor type 2 on guinea pig brain membranes by [3H]DTG displacement in the presence of [3H]pentazocine.
50036756	4	ChEMBL_201434 (CHEMBL809837)	In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]3-PPP displacement.
50036756	5	ChEMBL_201435 (CHEMBL809838)	In vitro binding affinity at Sigma opioid receptors on guinea pig brain membranes by [3H]-3-PPP displacement.
50036757	1	ChEMBL_44679 (CHEMBL884098)	Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymphocytic SUP-T1 cells
50036759	1	ChEMBL_84816 (CHEMBL693503)	The compound was tested for binding affinity against isolated N-domain of Heat shock protein HSP 90
50036759	2	ChEMBL_84814 (CHEMBL693501)	The compound was tested for binding affinity against isolated N-domain of Heat shock protein HSP 90
50036759	3	ChEMBL_84815 (CHEMBL693502)	The compound was tested for binding affinity against yeast Heat shock protein HSP 90
50036759	4	ChEMBL_84817 (CHEMBL693504)	The compound was tested for binding affinity against yeast Heat shock protein HSP 90
50036760	1	ChEMBL_40422 (CHEMBL652637)	Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand
50036760	2	ChEMBL_40130 (CHEMBL658496)	Binding affinity against human cloned Bradykinin receptor B1 expressed in CHO cells using [3H]-bradykinin as radioligand
50036760	4	ChEMBL_40441 (CHEMBL652380)	Binding affinity against rat Bradykinin receptor B2 expressed in CHO cells using [3H]-bradykinin as radioligand
50000528	6	ChEMBL_1684964 (CHEMBL4035443)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50036761	1	ChEMBL_40426 (CHEMBL652641)	Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO cells by [3H]bradykinin displacement.
50000528	7	ChEMBL_1684959 (CHEMBL4035438)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate after 15 mins by Ellman's method
50000528	8	ChEMBL_1684958 (CHEMBL4035437)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50000528	9	ChEMBL_1684960 (CHEMBL4035439)	Inhibition of 5% rat cortex homogenate AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50036762	1	ChEMBL_202580 (CHEMBL806330)	In vitro inhibition of [3H]GABA uptake in rat synaptosomes
50036763	1	ChEMBL_143041 (CHEMBL750290)	Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.
50036763	2	ChEMBL_148704 (CHEMBL751710)	The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.
50036763	3	ChEMBL_148703 (CHEMBL751075)	The compound was tested for binding affinity towards [3H]DAMGO, in rat Opioid receptor mu 1
50000528	10	ChEMBL_1684965 (CHEMBL4035444)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50036764	9	ChEMBL_201595 (CHEMBL808285)	Binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand
50000530	1	ChEBML_1685041	Binding affinity to CK2alpha (unknown origin) by ITC
50000530	2	ChEMBL_1685043 (CHEMBL4035522)	Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD as substrate after 40 mins by ADP-Glo assay
50000530	5	ChEMBL_1685046 (CHEMBL4035525)	Inhibition of CK2alpha/beta (unknown origin) expressed in Escherichia coli BL21(DE3) using RRRADDSDDDD as substrate after 40 mins by ADP-Glo assay
50000531	3	ChEMBL_1685095 (CHEMBL4035574)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method
50000532	5	ChEMBL_1685101 (CHEMBL4035580)	Inhibition of PAK4 (unknown origin) using substrate S2 after 60 mins by HTRF assay
50000531	1	ChEBML_1685095	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method
50036766	1	ChEMBL_210063 (CHEMBL812639)	Inhibitory activity against Telomerase evaluated by TRAP Assay studies.
50036767	1	ChEMBL_105952 (CHEMBL715366)	In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).
50036767	2	ChEMBL_104579 (CHEMBL715159)	In vitro inhibitory activity against matrix metalloprotease-3.
50036767	3	ChEMBL_104403 (CHEMBL715006)	Inhibition of gelatinase-A (Matrix metalloprotease-2)
50036767	4	ChEMBL_106805 (CHEMBL717493)	In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2).
50036767	5	ChEMBL_105226 (CHEMBL710585)	Inhibition of gelatinase-B (Matrix metalloprotease-9)
50036767	6	ChEMBL_105065 (CHEMBL711311)	Inhibition of neutrophil collagenase (Matrix metalloprotease-8)
50036767	7	ChEMBL_106469 (CHEMBL877754)	In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13).
50036767	8	ChEMBL_104911 (CHEMBL713447)	In vitro inhibitory activity against matrilysin (matrix metalloprotease-7).
50000531	2	ChEBML_1685096	Displacement of [3H]DTG from sigma-2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method
50036767	9	ChEMBL_101757 (CHEMBL709113)	Inhibition of collagenase-1 (Matrix metalloprotease-1)
50036767	10	ChEMBL_102105 (CHEMBL710482)	Inhibition of matrilysin (Matrix metalloprotease-7)
50036767	11	ChEMBL_104743 (CHEMBL710743)	Inhibition of Matrix metalloprotease-3
50036767	12	ChEMBL_106609 (CHEMBL717446)	Inhibition of collagenase (Matrix metalloprotease-13)
50036768	1	ChEMBL_210598 (CHEMBL816565)	Inhibitory activity against bovine thrombin
50036768	2	ChEMBL_210599 (CHEMBL816566)	The compound was evaluated for the inhibitory activity against human thrombin
50036768	3	ChEMBL_49630 (CHEMBL663109)	The compound was evaluated for the inhibitory activity against bovine Chymotrypsinogen
50036768	4	ChEMBL_155399 (CHEMBL766101)	The compound was evaluated for the inhibitory activity against human plasmin
50036768	5	ChEMBL_208543 (CHEMBL813637)	The compound was evaluated for the inhibitory activity against human thrombin
50036768	6	ChEMBL_212897 (CHEMBL824725)	The compound was evaluated for the inhibitory activity against bovine trypsin
50036768	7	ChEMBL_208544 (CHEMBL873985)	The compound was evaluated for the inhibitory activity against human thrombin.
50036769	1	ChEMBL_50043 (CHEMBL662412)	Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type A receptor from rat pancreas
50036769	2	ChEMBL_48584 (CHEMBL662464)	Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type B receptor from rat cerebral cortex membrane
50000532	2	ChEMBL_1685098 (CHEMBL4035577)	Inhibition of PAK4 (unknown origin)
50000532	1	ChEBML_1685098	Inhibition of PAK4 (unknown origin)
50036770	1	ChEMBL_41751 (CHEMBL651702)	Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
50036770	2	ChEMBL_79549 (CHEMBL691179)	Inhibition of MIP-1-alpha-induced intracellular calcium mobilization in HEK293 cells expressing human CCR1 receptor
50000532	3	ChEBML_1685100	Inhibition of PAK6 (unknown origin)
50000542	1	ChEMBL_1685227 (CHEMBL4035706)	Inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue indicator based assay
50036771	1	ChEMBL_33596 (CHEMBL652805)	In vitro binding affinity against Alpha-1A adrenergic receptor in isolated prostate tissue of dog
50036771	2	ChEMBL_33739 (CHEMBL873186)	In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.
50036771	3	ChEMBL_32451 (CHEMBL643399)	In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.
50036771	4	ChEMBL_34457 (CHEMBL651989)	In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.
50036771	5	ChEMBL_33738 (CHEMBL647054)	In vitro binding affinity against Alpha-1A adrenergic receptor in isolated prostate tissue of human
50036771	6	ChEMBL_33737 (CHEMBL647053)	In vitro binding affinity radioligand
50036771	7	ChEMBL_34030 (CHEMBL646169)	In vitro binding affinity against Alpha-1A adrenergic receptor in isolated prostate tissue of rat
50036771	8	ChEMBL_33744 (CHEMBL647059)	In vitro binding affinity against Alpha-1A adrenergic receptor in isolated prostate tissue of human
50036772	1	ChEMBL_32713 (CHEMBL644031)	Binding affinity against isolated human aorta using [3H]- prazosin.
50036772	2	ChEMBL_33605 (CHEMBL876765)	Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.
50036772	3	ChEMBL_32430 (CHEMBL646092)	Binding affinity against Alpha-1D adrenergic receptor (recombinant human receptor) using [3H]-prazosin.
50036772	4	ChEMBL_34328 (CHEMBL648111)	Binding affinity against Alpha-1B adrenergic receptor (recombinant human receptor) using [3H]prazosin.
50036772	5	ChEMBL_34177 (CHEMBL648416)	Binding affinity against isolated rat prostate using [3H]- prazosin.
50036772	6	ChEMBL_33891 (CHEMBL645469)	Binding affinity against isolated human prostate using [3H]- prazosin.
50036773	1	ChEMBL_62160 (CHEMBL675003)	Inhibitory potency against dopamine (DA) transporter using [3H]WIN-35428 (WIN-) binding assay.
50036773	2	ChEMBL_201669 (CHEMBL803043)	Selectivity for the Serotonin transporter using [3H]paroxetine binding assay
50036773	3	ChEMBL_142965 (CHEMBL750817)	Selectivity for the norepinephrine transporter using [3H]nisoxetine binding assay
50036773	4	ChEMBL_62159 (CHEMBL675002)	Inhibitory potency against [3H]DA uptake using [3H]WIN-35428 (WIN-) binding assay
50000532	4	ChEBML_1685099	Inhibition of PAK5 (unknown origin)
50000533	1	ChEBML_1685129	Antagonist activity at ERalpha (unknown origin) expressed in HEK293T cells assessed as inhibition of estradiol-induced response after 24 hrs by luciferase reporter gene assay
50000533	2	ChEBML_1685131	Agonist activity at ERbeta (unknown origin) expressed in HEK293T cells after 24 hrs by luciferase reporter gene assay
50000535	1	ChEBML_1685152	Antagonist activity at human GRalpha expressed in HEK293 cells assessed as inhibition of dexamethasone-induced response after 24 hrs by luciferase reporter gene assay
50000535	2	ChEBML_1685150	Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced response after 24 hrs by alkaline phosphatase assay
50036775	1	ChEMBL_3345 (CHEMBL619045)	In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.
50036775	2	ChEMBL_2985 (CHEMBL621502)	Compound was evaluated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.
50036775	3	ChEMBL_2986 (CHEMBL621503)	In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.
50000538	1	ChEBML_1685158	Antagonist activity at TLR4 (unknown origin) expressed in human AD293 cells assessed as inhibition of LPS/ATP-stimulated TLR4/NF-kB signaling pathway after 16 hrs by luciferase reporter gene assay
50000539	1	ChEBML_1685205	Inhibition of recombinant human 17beta-HSD2 expressed in HEK293 cells using estradiol as substrate after 10 mins in presence of radiolabeled tracer substrate by scintillation counting method
50036777	1	ChEMBL_1432 (CHEMBL616306)	Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor
50036777	3	ChEMBL_63032 (CHEMBL678335)	Inhibitory activity against rat limbic tissue Dopamine receptor D2
50000541	1	ChEBML_1685222	Inhibition of HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay
50000541	2	ChEBML_1685223	Inhibition of HDAC2 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay
50000541	3	ChEBML_1685224	Inhibition of HDAC3 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorescence assay
50036777	4	ChEMBL_1430 (CHEMBL616304)	Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue
50000542	3	ChEMBL_1685229 (CHEMBL4035708)	Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweaver-Burk plot analysis
50000542	2	ChEMBL_1685228 (CHEMBL4035707)	Inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by bromine thymol blue indicator based assay
50036778	1	ChEMBL_144589 (CHEMBL749506)	Neuraminidase binding affinity in Influenza A
50036779	1	ChEMBL_33078 (CHEMBL647725)	Inhibition of [3H]- MK-912 binding against human recombinant Alpha-2A adrenergic receptor
50036779	2	ChEMBL_63106 (CHEMBL674499)	Binding affinity at Dopamine receptor D4 in CHO cells by radioligand displacement.
50036779	3	ChEMBL_60058 (CHEMBL671372)	Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacement.
50036779	4	ChEMBL_62112 (CHEMBL674990)	Binding affinity at Dopamine receptor D3 in CHO cells by radioligand displacement.
50036779	5	ChEMBL_1050 (CHEMBL616251)	Inhibition of [3H]- 8-OH-DAPT binding against human recombinant 5-hydroxytryptamine 1A receptor
50036779	6	ChEMBL_34642 (CHEMBL647287)	Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liver
50036779	7	ChEMBL_34635 (CHEMBL647280)	Inhibition of [3H]- prazosin binding against Alpha-1B adrenergic receptor from rat liver
50036779	8	ChEMBL_33503 (CHEMBL647001)	Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor
50036779	9	ChEMBL_952 (CHEMBL616131)	Inhibition of [3H]- OH-DPAT binding against 5-hydroxytryptamine 1A receptor from human recombinant
50036779	10	ChEMBL_34034 (CHEMBL646287)	Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland
50036779	12	ChEMBL_33377 (CHEMBL884022)	Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor
50036779	13	ChEMBL_33053 (CHEMBL647294)	Inhibition of [3H]- MK-912 binding against human recombinant Alpha-2A adrenergic receptor
50036779	14	ChEMBL_201583 (CHEMBL809860)	Inhibition of [3H]- Ifenprodil binding against rat brain Sigma opioid receptor type 2
50036779	15	ChEMBL_201591 (CHEMBL808281)	Inhibition of [3H]- Ifenprodil binding against rat brain Sigma opioid receptor type 2
50036779	16	ChEMBL_201419 (CHEMBL810652)	Inhibition of [3H]- pentazocine binding against guinea pig brain Sigma opioid receptor type 1
50036779	17	ChEMBL_879 (CHEMBL615934)	Inhibition of [3H]- 8-OH-DAPT binding against human recombinant 5-hydroxytryptamine 1A receptor
50036779	18	ChEMBL_139389 (CHEMBL747002)	Inhibition of [3H]- NMS binding against human recombinant Muscarinic acetylcholine receptor M5
50036779	19	ChEMBL_139394 (CHEMBL747160)	Inhibition of [3H]- NMS binding against human recombinant Muscarinic acetylcholine receptor M5
50036779	20	ChEMBL_202069 (CHEMBL813151)	Inhibition of [3H]- pentazocine binding against guinea pig brain Sigma opioid receptor type 1
50036779	21	ChEMBL_34016 (CHEMBL645383)	Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary gland
50036779	22	ChEMBL_201432 (CHEMBL809835)	Inhibition of [3H]- pentazocine binding against alpha-1 from guinea pig brain
50036780	2	ChEMBL_32830 (CHEMBL873060)	Binding affinity against recombinant Aminopeptidase A
50000542	5	ChEMBL_1685231 (CHEMBL4035710)	Competitive inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweaver-Burk plot analysis
50000542	4	ChEBML_1685230	Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweaver-Burk plot analysis
50000542	6	ChEBML_1685231	Competitive inhibition of carbonic anhydrase-2 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweaver-Burk plot analysis
50036780	4	ChEMBL_35381 (CHEMBL647297)	Binding affinity against Angiotensin I converting enzyme from rat testis
50000542	7	ChEMBL_1685230 (CHEMBL4035709)	Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweaver-Burk plot analysis
50000546	8	ChEMBL_1685364 (CHEMBL4035843)	Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method
50000546	11	ChEMBL_1685357 (CHEMBL4035836)	Inhibition of recombinant human N-terminal FLAG-tagged KDM5A expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000543	1	ChEBML_1685234	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method
50000544	1	ChEBML_1685271	Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50000544	2	ChEBML_1685272	Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50036782	1	ChEMBL_146668 (CHEMBL755871)	In vitro radioligand binding assay, for inhibition of [3H]U-69593 binding to Opioid receptor kappa 1, in guinea pig brain membranes, at highest concentration of 7000 nM tested
50036782	2	ChEMBL_145761 (CHEMBL752779)	Agonist activity using electrically induced smooth muscle contraction of mouse vas deferens.
50036782	3	ChEMBL_147169 (CHEMBL754468)	In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) displacement.
50036782	4	ChEMBL_149021 (CHEMBL758585)	In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membranes at highest concentration of 6300 nM tested
50036782	5	ChEMBL_146669 (CHEMBL755872)	In vitro radioligand binding assay, for inhibition of [3H]U-69593 binding to Opioid receptor kappa 1, in guinea pig brain membranes, at highest concentration of 8000 nM tested
50036782	6	ChEMBL_149023 (CHEMBL756411)	In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membranes at highest concentration of 6800 nM tested
50036782	7	ChEMBL_146670 (CHEMBL755873)	In vitro radioligand binding assay, for inhibition of [3H]U-69593 binding to Opioid receptor kappa 1, in guinea pig brain membranes.
50036782	8	ChEMBL_146975 (CHEMBL757514)	Agonist activity using strips of guinea pig ileum longitudinal muscle myenteric plexus.
50036782	9	ChEMBL_149020 (CHEMBL758584)	In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membranes at highest concentration of 5600 nM tested
50036782	10	ChEMBL_149133 (CHEMBL758617)	In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membranes.
50036782	11	ChEMBL_149022 (CHEMBL756410)	In vitro radioligand binding assay, for inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membranes at highest concentration of 6600 nM tested
50036782	12	ChEMBL_147065 (CHEMBL754885)	In vitro radioligand binding assay, for inhibition of [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) binding to Opioid receptor delta 1, in rat brain membranes at highest concentration of 1700 nM tested
50036783	1	ChEMBL_139631 (CHEMBL748244)	Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M2 using membranes from transfected CHO cells
50036783	2	ChEMBL_138585 (CHEMBL746513)	Displacement of [3H]-NMS binding to human Muscarinic acetylcholine receptor M3 using membranes from transfected CHO cells
50036783	3	ChEMBL_139113 (CHEMBL749237)	Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M4 using membranes from transfected CHO cells
50036783	4	ChEMBL_138287 (CHEMBL744319)	Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M1 using membranes from transfected CHO cells
50036783	5	ChEMBL_139388 (CHEMBL747701)	Displacement of [3H]NMS binding to human Muscarinic acetylcholine receptor M5 using membranes from transfected CHO cells
50036785	1	ChEMBL_88621 (CHEMBL701725)	Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.
50036786	1	ChEMBL_210251 (CHEMBL809278)	Inhibition of tetanus neurotoxin (TeNt)
50036788	1	ChEMBL_29229 (CHEMBL641395)	In vitro inhibition of acetylcholinesterase in homogenized rat striatum.
50036788	2	ChEMBL_28139 (CHEMBL644923)	In vitro inhibition of Torpedo californica acetylcholinesterase.
50036788	3	ChEMBL_28629 (CHEMBL644627)	Inhibitory concentration against acetylcholinesterase (AChE) from human erythrocytes
50036788	4	ChEMBL_41430 (CHEMBL654409)	Inhibitory concentration against Butyrylcholinesterase (BuChE) from human serum
50036789	1	ChEMBL_51131 (CHEMBL664192)	Binding affinity was determined against corticotropin releasing factor receptor 1
50036790	1	ChEMBL_195841 (CHEMBL799140)	The compound was tested for inhibitory activity against Recombinant HIV-1 reverse transcriptase
50036791	1	ChEMBL_197263 (CHEMBL804179)	Effective concentration against HIV-1 reverse transcriptase
50036792	1	ChEMBL_62302 (CHEMBL675224)	Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as the radioligand.
50036792	2	ChEMBL_62303 (CHEMBL675225)	Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as the radioligand.
50036793	2	ChEMBL_140967 (CHEMBL745132)	Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)
50036794	1	ChEMBL_143030 (CHEMBL751902)	Binding affinity towards cloned human Tachykinin receptor 1 (hNK-1) expressed in CHO cells using [125I][MePhe7]-NKB
50036794	2	ChEMBL_209565 (CHEMBL811267)	Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in CHO cells using [125I][MePhe7]-NKB
50036794	3	ChEMBL_209039 (CHEMBL815485)	Binding affinity towards cloned human Tachykinin receptor 2 (hNK-2) expressed in CHO cells using [125I][MePhe7]-NKB
50036795	1	ChEMBL_201563 (CHEMBL804718)	Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane
50036795	2	ChEMBL_61740 (CHEMBL676047)	Inhibitory concentration against radioligand [3H](-)-sulpiride binding to Dopamine receptor D2 in rat
50036795	4	ChEMBL_140533 (CHEMBL748758)	Inhibitory concentration against radioligand [3H]PCP binding to PCP site of N-methyl-D-aspartate glutamate receptor in rat
50036795	5	ChEMBL_58342 (CHEMBL671957)	Inhibitory concentration against radioligand [3H]SCH-23390 binding to Dopamine receptor D1 in rat
50000545	1	ChEBML_1685304	Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis
50036795	6	ChEMBL_1230 (CHEMBL616182)	Inhibitory concentration against radioligand [3H]hydroxy-2-(di-n-propylamino)-tetralin binding to 5-hydroxytryptamine 1A receptor in rat
50000546	1	ChEBML_1685364	Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method
50000546	2	ChEBML_1685358	Inhibition of KDM1A (unknown origin)
50000546	3	ChEBML_1685359	Inhibition of recombinant human N-terminal FLAG-tagged KDM2B expressed in baculovirus infected Sf9 insect cells using H3K36me2 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	4	ChEBML_1685360	Inhibition of recombinant human N-terminal FLAG-tagged KDM3B expressed in baculovirus infected Sf9 insect cells using H3K9me1 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	5	ChEBML_1685361	Inhibition of recombinant human N-terminal FLAG-tagged KDM4C expressed in baculovirus infected Sf9 insect cells using H3K9me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	6	ChEBML_1685362	Inhibition of recombinant human N-terminal FLAG-tagged KDM6A expressed in baculovirus infected Sf9 insect cells using H3K27me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	7	ChEBML_1685363	Inhibition of recombinant human N-terminal FLAG-tagged KDM7B expressed in baculovirus infected Sf9 insect cells using H3K9me1 peptide as substrate after 30 to 45 mins by TR-FRET assay
50036796	5	ChEMBL_156315 (CHEMBL762548)	Inhibition of guinea pig cardiac ventricle Phosphodiesterase 2
50000546	9	ChEBML_1685380	Inhibition of recombinant human N-terminal FLAG-tagged KDM5B expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	10	ChEBML_1685381	Inhibition of recombinant human N-terminal FLAG-tagged KDM5C expressed in baculovirus infected Sf9 insect cells using H3K4me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000546	12	ChEMBL_1685361 (CHEMBL4035840)	Inhibition of recombinant human N-terminal FLAG-tagged KDM4C expressed in baculovirus infected Sf9 insect cells using H3K9me3 peptide as substrate after 30 to 45 mins by TR-FRET assay
50000548	9	ChEMBL_1685389 (CHEMBL4035868)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50000548	1	ChEBML_1685389	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50036797	1	ChEMBL_43840 (CHEMBL658502)	In vitro potency against human Prostaglandin G/H synthase 2 in the human whole blood assay.
50036797	2	ChEMBL_158596 (CHEMBL769638)	In vitro potency against human Prostaglandin G/H synthase 1 in U937 microsomes. 
50036797	3	ChEMBL_43841 (CHEMBL658503)	In vitro potency against human Prostaglandin G/H synthase 2 in transfected CHO cells.
50036797	4	ChEMBL_158595 (CHEMBL769637)	In vitro potency against human Prostaglandin G/H synthase 1 (hCOX-1) in the human whole blood assay.
50000548	2	ChEBML_1685401	Inhibition of CYP1A2 (unknown origin)
50000548	3	ChEBML_1685400	Inhibition of CYP2C9 (unknown origin)
50036799	3	ChEMBL_29473 (CHEMBL642874)	Displacement of [3H]- DPCPX from adenosine A1 receptor on rat cortical membrane
50000548	4	ChEBML_1685399	Inhibition of CYP2D6 (unknown origin)
50000548	5	ChEBML_1685398	Inhibition of CYP3A4 (unknown origin)
50036799	1	ChEMBL_29474 (CHEMBL640467)	Ability to displace radioligand [3H]- DPCPX from adenosine A1 receptor on rat cortical membrane in the absence of GTP
50036799	6	ChEMBL_30019 (CHEMBL641310)	Ability to displace radioligand [3H]- CGS 21680 from adenosine A2A receptor on rat striatal membrane
50036799	2	ChEMBL_32005 (CHEMBL646602)	Ability to displace radioligand [125I]AB-MECA from membrane of HEK 293 cells stably transfected with human adenosine A3 receptor cDNA
50036799	4	ChEMBL_30291 (CHEMBL639461)	Effective concentration for cAMP production in CHO-KI cells stably transfected with human adenosine A2B receptor cDNA
50036799	7	ChEMBL_30476 (CHEMBL640331)	Binding affinity for rat adenosine A3 receptor
50036799	8	ChEMBL_32004 (CHEMBL646601)	Displacement of [125I]AB-MECA from membranes of HEK 293 cells expressing human Adenosine A3 receptor
50036799	9	ChEMBL_27580 (CHEMBL643502)	Binding affinity for human adenosine A1 receptor
50036799	10	ChEMBL_31371 (CHEMBL644663)	Binding affinity for human adenosine A2A receptor
50000548	6	ChEBML_1685419	Inhibition of CYP2C19 (unknown origin)
50000548	7	ChEBML_1685391	Activity at human M2 receptor assessed as increase in acetylcholine-induced calcium mobilization
50036799	5	ChEMBL_29475 (CHEMBL640468)	Ability to displace radioligand [3H]- DPCPX from adenosine A1 receptor on rat cortical membrane in the presence of 1 mM of GTP
50036800	1	ChEMBL_31397 (CHEMBL643655)	Effective concentration for stimulation of [35S]GTP-gamma-S, binding to human adenosine A3 receptor
50036800	3	ChEMBL_29484 (CHEMBL641718)	Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptor
50000548	8	ChEBML_1685418	Displacement of [3H]BTCP from human recombinant dopamine transporter expressed in CHO cells
50036800	2	ChEMBL_32008 (CHEMBL646605)	Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.
50000549	10	ChEMBL_1685452 (CHEMBL4035931)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by Eu-cAMP tracer based TR-FRET assay
50000549	5	ChEMBL_1685447 (CHEMBL4035926)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells
50000549	1	ChEBML_1685442	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum membrane
50000549	2	ChEBML_1685441	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane
50036800	6	ChEMBL_30488 (CHEMBL642102)	Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells
50036800	4	ChEMBL_30022 (CHEMBL641313)	Displacement of [3H]-CGS- 21980 from Adenosine A2A receptor of rat striatal membranes 
50000549	3	ChEBML_1685446	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum membrane
50000549	4	ChEMBL_1685443 (CHEMBL4035922)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50000549	6	ChEMBL_1685448 (CHEMBL4035927)	Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cells
50036800	5	ChEMBL_30021 (CHEMBL641312)	Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membranes 
50000549	7	ChEBML_1685451	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by Eu-cAMP tracer based TR-FRET assay
50000549	8	ChEBML_1685452	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by Eu-cAMP tracer based TR-FRET assay
50036801	1	ChEMBL_71403 (CHEMBL680189)	Binding affinity against baculovirus expressed human glucocorticoid receptor (hGR)
50036801	2	ChEMBL_159056 (CHEMBL760108)	Agonistic activity by cotransfection assay against human Progesterone receptor in T47D cells
50036801	3	ChEMBL_159555 (CHEMBL765843)	Compound was evaluated for its binding affinity against baculovirus expressed Progesterone receptor
50036801	4	ChEMBL_159378 (CHEMBL768811)	Antagonistic activity by cotransfection assay against human Progesterone receptor in CV-1 cells
50036801	5	ChEMBL_159054 (CHEMBL760106)	Compound was tested for agonistic activity by cotransfection assay against human Progesterone receptor in CV-1 cells
50036801	6	ChEMBL_36278 (CHEMBL651952)	Binding affinity against baculovirus expressed human androgen receptor (hAR)
50036801	7	ChEMBL_159556 (CHEMBL765844)	Binding affinity against baculovirus expressed human Progesterone receptor
50036801	8	ChEMBL_159055 (CHEMBL760107)	Agonistic effect on transcriptional activity in T47D cells expressing human Progesterone receptor
50000555	12	ChEMBL_1685492 (CHEMBL4035971)	Inhibition of PI3Kbeta (unknown origin)
50000549	9	ChEBML_1685453	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by Eu-cAMP tracer based TR-FRET assay
50036802	2	ChEMBL_143089 (CHEMBL748739)	Agonist activity against Nicotinic acetylcholine receptor (nAchR)
50036802	3	ChEMBL_140703 (CHEMBL751722)	Compound with the N-methyl-D-aspartate glutamate receptor blocking activity
50036802	4	ChEMBL_149327 (CHEMBL756361)	Opioid receptor mu 1 agonist activity with monoamine (NE, 5-HT) uptake-blocking activity in the 0.8-1 uM range
50036803	1	ChEMBL_3232 (CHEMBL618918)	Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue
50036803	2	ChEMBL_201828 (CHEMBL805335)	Binding affinity towards Serotonin transporter was determined in rat forebrain membrane
50036803	3	ChEMBL_1105 (CHEMBL616428)	Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus tissue.
50036803	4	ChEMBL_2824 (CHEMBL621510)	Binding affinity against 5-hydroxytryptamine 2C receptor of rat cortex
50036803	5	ChEMBL_3233 (CHEMBL618919)	Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat cortical membrane
50036803	6	ChEMBL_2825 (CHEMBL621511)	Binding affinity against 5-hydroxytryptamine 2C receptor of rat cortex.
50036803	7	ChEMBL_1793 (CHEMBL616766)	Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum
50036803	8	ChEMBL_1794 (CHEMBL616767)	Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum.
50036803	9	ChEMBL_2629 (CHEMBL621541)	Binding affinity against 5-hydroxytryptamine 2A receptor of rat pre-frontal cortex.
50036803	10	ChEMBL_2628 (CHEMBL621540)	Binding affinity against 5-hydroxytryptamine 2A receptor of rat pre-frontal cortex
50036804	1	ChEMBL_147715 (CHEMBL759185)	Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached
50036804	2	ChEMBL_147722 (CHEMBL759192)	In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.
50036805	2	ChEMBL_148865 (CHEMBL756661)	Binding affinity towards Opioid receptor mu 1 by the displacement of [3H]DAMGO radioligand in rat brain membranes
50036805	3	ChEMBL_146924 (CHEMBL757316)	Binding affinity towards Opioid receptor delta 1 by the displacement of [3H]DADLE radioligand in rat brain membranes
50036805	4	ChEMBL_148865 (CHEMBL756661)	Binding affinity towards Opioid receptor mu 1 by the displacement of [3H]DAMGO radioligand in rat brain membranes
50000555	6	ChEMBL_1685513 (CHEMBL4035992)	Inhibition of human PIP5K2alpha (1 to 406 residues) by ADP Glo HTS assay
50036805	8	ChEMBL_146924 (CHEMBL757316)	Binding affinity towards Opioid receptor delta 1 by the displacement of [3H]DADLE radioligand in rat brain membranes
50000550	1	ChEBML_1685483	Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins
50036806	1	ChEMBL_145280 (CHEMBL751216)	Binding affinity towards Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from guinea pig brain membrane
50036806	2	ChEMBL_146517 (CHEMBL754626)	Binding affinity towards Opioid receptor kappa 1 by displacing the radioligand [3H]U-69593 from guinea pig brain membrane
50000552	1	ChEBML_1685486	Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50000552	2	ChEBML_1685489	Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50036807	1	ChEMBL_70416 (CHEMBL682251)	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2
50036807	2	ChEMBL_68433 (CHEMBL683045)	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2
50036807	3	ChEMBL_70261 (CHEMBL681248)	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2
50036807	4	ChEMBL_70695 (CHEMBL681480)	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2
50036807	5	ChEMBL_70099 (CHEMBL678329)	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2
50036807	6	ChEMBL_70081 (CHEMBL677027)	Binding affinity towards human GABA-A receptor alpha-1-beta-3-gamma-2 subunits
50000552	3	ChEBML_1685488	Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50036808	1	ChEMBL_90579 (CHEMBL701163)	Inhibition of human immunodeficiency virus-1 (HIV-1) integrase.
50036808	2	ChEMBL_88784 (CHEMBL699442)	Inhibition of rous sarcoma virus (RSV) Integrase.
50036809	1	ChEMBL_65648 (CHEMBL678560)	Binding affinity to Endothelin A receptor
50036809	2	ChEMBL_34658 (CHEMBL649717)	Binding affinity to Angiotensin II receptor, type 1
50036809	3	ChEMBL_53708 (CHEMBL664468)	Inhibitory activity against DNA topoisomerase I
50036809	4	ChEMBL_30014 (CHEMBL641305)	Binding affinity to Adenosine A2A receptor
50036809	5	ChEMBL_99832 (CHEMBL872555)	Binding affinity to leukotriene B4 receptor
50036809	6	ChEMBL_35290 (CHEMBL647854)	Inhibitory activity against Angiotensin II receptor, type 2 binding
50036809	7	ChEMBL_35418 (CHEMBL643592)	Binding affinity to Angiotensin II receptor, type 2
50036809	8	ChEMBL_157478 (CHEMBL765797)	Inhibition of Prolyl endopeptidase activity
50036809	9	ChEMBL_36937 (CHEMBL650272)	Inhibitory activity against Angiotensin II receptor, type 1 binding
50000552	4	ChEBML_1685487	Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay
50036811	1	ChEMBL_63067 (CHEMBL673634)	Binding affinity against Dopamine receptor D2 of rat striatal mambranes using [3H]spiperone
50036811	2	ChEMBL_58801 (CHEMBL667043)	Binding affinity against Dopamine receptor D1 rat striatal receptor using [3H]SCH-23390
50036811	3	ChEMBL_58800 (CHEMBL667042)	Binding affinity against Dopamine receptor D1 of rat striatal receptor using [3H]SCH-23390
50036811	7	ChEMBL_63068 (CHEMBL673635)	Binding affinity against Dopamine receptor D2 rat striatal membranes using [3H]spiperone
50036812	1	ChEMBL_88615 (CHEMBL701719)	Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing
50036812	2	ChEMBL_88616 (CHEMBL701720)	Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer
50036813	1	ChEMBL_146677 (CHEMBL753169)	Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 in guinea pig brain homogenates
50036813	2	ChEMBL_146676 (CHEMBL753168)	Inhibition of [3H]EKC binding to Opioid receptor kappa 1 in guinea pig forebrain
50036813	3	ChEMBL_145840 (CHEMBL755498)	Inhibition of [3H]- U-69593 binding in cloned rat Opioid receptor kappa 1 expressed in CHO cell line
50036814	1	ChEMBL_30424 (CHEMBL640268)	Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells
50036814	2	ChEMBL_32016 (CHEMBL649052)	Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cells
50036814	3	ChEMBL_29487 (CHEMBL641721)	Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor
50036814	4	ChEMBL_31399 (CHEMBL875927)	Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor
50036814	5	ChEMBL_30025 (CHEMBL641316)	Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes
50036814	6	ChEMBL_27423 (CHEMBL646667)	Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptor
50036814	7	ChEMBL_28397 (CHEMBL636816)	Stimulation of [35S]GTP-gamma-S, binding to adenosine A1 receptor of rat cerebral cortical membrane
50036814	8	ChEMBL_30489 (CHEMBL642103)	Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells
50036814	9	ChEMBL_30608 (CHEMBL642015)	Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in HEK cells
50036814	10	ChEMBL_32015 (CHEMBL649051)	Displacement of [125I]- AB-MECA from human adenosine A3 receptor expressed in HEK cell in the absence of ADA
50036814	11	ChEMBL_30609 (CHEMBL642016)	Displacement of [125I]- AB-MECA from rat adenosine rA3 receptor expressed in CHO cells
50036814	12	ChEMBL_31496 (CHEMBL647481)	Displacement of [3H]-CGS- 21680 from human adenosine A2A receptor expressed in HEK cells.
50036815	1	ChEMBL_143948 (CHEMBL751429)	Tested for inhibition of Nucleoside Triphosphate Diphosphohydrolase (NTPDase) from bovine spleen.
50036816	1	ChEMBL_154575 (CHEMBL761923)	Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.
50036816	2	ChEMBL_140879 (CHEMBL752510)	Inhibitory activity against neutral endopeptidase enzyme (NEP).
50036816	3	ChEMBL_36898 (CHEMBL648688)	Inhibitory activity against angiotensin I converting enzyme (ACE)
50036816	4	ChEMBL_105969 (CHEMBL715381)	Inhibition of Matrix metalloprotease-1
50036816	5	ChEMBL_105035 (CHEMBL711549)	Inhibition of matrilysin, Matrix metalloprotease-7
50036816	6	ChEMBL_104572 (CHEMBL714855)	Inhibition of Matrix metalloprotease-13
50036816	7	ChEMBL_64358 (CHEMBL679846)	Inhibitory activity against Endothelin-converting enzyme 1
50036816	8	ChEMBL_106456 (CHEMBL716818)	Inhibition of human Matrix metalloprotease-12
50036816	9	ChEMBL_140878 (CHEMBL752509)	Inhibitory activity against endopeptidase enzyme (NEP).
50000555	1	ChEBML_1685492	Inhibition of PI3Kbeta (unknown origin)
50000555	3	ChEMBL_1685494 (CHEMBL4035973)	Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at Ser473
50000555	2	ChEBML_1685491	Inhibition of PI3Kalpha (unknown origin)
50000555	4	ChEBML_1685511	Inhibition of PI3Kgamma (unknown origin)
50000555	5	ChEBML_1685512	Inhibition of PI3Kdelta (unknown origin)
50000555	7	ChEBML_1685514	Inhibition of human PI4KB (1 to 801 residues) by ADP Glo HTS assay
50000555	8	ChEBML_1685516	Inhibition of VPS15 (unknown origin)
50000555	9	ChEBML_1685517	Inhibition of VPS35 (unknown origin)
50000555	10	ChEBML_1685518	Inhibition of m-TOR (unknown origin)
50000558	3	ChEMBL_1685554 (CHEMBL4036033)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan as substrate after 24 hrs
50036817	1	ChEMBL_144088 (CHEMBL750866)	In vitro inhibitory concentration against dog kidney Na+,K+-ATPase
50000555	11	ChEBML_1685515	Inhibition of human PI4K2alpha (1 to 479 residues) by ADP Glo HTS assay
50000556	1	ChEBML_1685531	Inhibition of jack bean urease using urea as substrate pretreated for 15 mins followed by substrate addition by phenol red based spectrophotometric method
50000557	1	ChEBML_1685544	Inhibition of hypoxia-induced HIF1alpha (unknown origin) transcriptional activity expressed in human HCT116 cells by HRE luciferase reporter gene assay
50036818	1	ChEMBL_48604 (CHEMBL659585)	Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand
50036818	2	ChEMBL_47646 (CHEMBL657358)	Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue
50036819	1	ChEMBL_211317 (CHEMBL818977)	Inhibition of polymerization of purified bovine tubulin
50036819	2	ChEMBL_211304 (CHEMBL820430)	Effective concentration for enhancement of tubulin assembly rate was determined
50036820	1	ChEMBL_197433 (CHEMBL802399)	Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)
50036820	2	ChEMBL_197434 (CHEMBL802400)	Antiviral activity was tested in cells acutely infected with HIV-1 Reverse transcriptase
50000558	1	ChEMBL_1685571 (CHEMBL4036050)	Inhibition of human IDO expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of kynurenine production using L-tryptophan as substrate after 30 mins
50036821	1	ChEMBL_197431 (CHEMBL802397)	Antiviral activity was evaluated by RT (reverse transcriptase) activity in cells acutely infected with HIV-1
50036821	2	ChEMBL_197432 (CHEMBL802398)	Antiviral activity was evaluated by Reverse transcriptase activity in cells acutely infected with HIV-1
50036822	2	ChEMBL_149326 (CHEMBL756360)	Inhibition of [3H]- diprenorphine binding to Opioid receptor mu 1 (83 fmol/mg protein) stably expressed in membranes from CHO cells
50036822	3	ChEMBL_145962 (CHEMBL752211)	Inhibition of [3H]diprenorphine binding to Opioid receptor kappa 1
50036823	1	ChEMBL_155357 (CHEMBL762502)	50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets
50036823	2	ChEMBL_157206 (CHEMBL768857)	Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 10.4-16.3
50036823	3	ChEMBL_156623 (CHEMBL759868)	Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets
50036823	4	ChEMBL_155360 (CHEMBL762505)	Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.442-0.710
50036823	5	ChEMBL_157205 (CHEMBL768856)	Inhibition of phosphodiesterase 4 (PDE4) from porcine liver
50036823	6	ChEMBL_152929 (CHEMBL758799)	Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets
50036823	7	ChEMBL_156327 (CHEMBL762560)	Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 68.1-119
50000558	5	ChEMBL_1685553 (CHEMBL4036032)	Inhibition of recombinant human His-tagged IDO1 expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of kynurenine production using L-tryptophan as substrate after 1 hr by fluorescence assay relative to control
50036823	9	ChEMBL_156625 (CHEMBL759870)	Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 31.8-60.7
50036823	10	ChEMBL_155663 (CHEMBL763047)	Inhibition of phosphodiesterase 4 (PDE4) from porcine liver
50036823	12	ChEMBL_157207 (CHEMBL768858)	Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 0.058-7.78
50036823	13	ChEMBL_156326 (CHEMBL762559)	Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 2.54-4.14
50036823	14	ChEMBL_157208 (CHEMBL768859)	Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 1.01-1.36
50036823	15	ChEMBL_156325 (CHEMBL762558)	Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets
50036823	17	ChEMBL_155358 (CHEMBL762503)	Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.244-1.35
50036823	18	ChEMBL_156328 (CHEMBL762561)	Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 0.841-1.15
50000558	2	ChEMBL_1685555 (CHEMBL4036034)	Binding affinity to human IDO1 by SPR assay
50000558	4	ChEBML_1685571	Inhibition of human IDO expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of kynurenine production using L-tryptophan as substrate after 30 mins
50036823	20	ChEMBL_155359 (CHEMBL762504)	Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.733-1.68
50036823	21	ChEMBL_156624 (CHEMBL759869)	Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 0.581-1.23
50036823	22	ChEMBL_156626 (CHEMBL759871)	Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 11.4-26.9
50036824	1	ChEMBL_103350 (CHEMBL710068)	Human MDR1 Pgp inhibitory activity by using standard calcein-AM efflux method with the human leukemia CEM cells.
50036825	3	ChEMBL_149310 (CHEMBL757306)	Binding affinity towards Opioid receptor mu 1 was evaluated
50000561	11	ChEMBL_1685710 (CHEMBL4036189)	Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by enzyme addition measured after 90 mins by microbeta scintillation proximity assay
50000561	6	ChEMBL_1685711 (CHEMBL4036190)	Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured after 3 to 4 hrs by scintillation proximity assay
50036826	1	ChEMBL_104311 (CHEMBL718130)	Agonist potency against cloned Metabotropic glutamate receptor 6 (mGluR-6).
50036826	2	ChEMBL_105708 (CHEMBL719076)	Agonist potency against cloned human metabotropic glutamate receptor 1
50036826	3	ChEMBL_104479 (CHEMBL712461)	Agonist potency against cloned Metabotropic glutamate receptor 7 (mGluR-7).
50036826	4	ChEMBL_106560 (CHEMBL716502)	Agonist potency against cloned human Metabotropic glutamate receptor 4 (mGluR-4)
50036826	5	ChEMBL_104277 (CHEMBL711712)	Agonist potency against cloned metabotropic glutamate receptor 5
50036826	6	ChEMBL_106049 (CHEMBL718215)	Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2).
50036826	7	ChEMBL_106386 (CHEMBL717241)	Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).
50036826	8	ChEMBL_106052 (CHEMBL718218)	Antagonist potency against cloned Metabotropic glutamate receptor 2
50036826	9	ChEMBL_106383 (CHEMBL717238)	Agonist potency against cloned Metabotropic glutamate receptor 3 (mGluR-3).
50036826	10	ChEMBL_104492 (CHEMBL712473)	Agonist potency against cloned Metabotropic glutamate receptor 8 (mGluR-8).
50000561	1	ChEBML_1685705	Inhibition of CYP2D6 (unknown origin)
50036826	12	ChEMBL_106055 (CHEMBL718221)	Potency against cloned Metabotropic glutamate receptor 2 agonist
50036826	13	ChEMBL_106050 (CHEMBL718216)	Agonist potency against cloned Metabotropic glutamate receptor 2 agonist
50036826	14	ChEMBL_106051 (CHEMBL718217)	Agonist potency against cloned Metabotropic glutamate receptor 2 partial
50036827	2	ChEMBL_82664 (CHEMBL694129)	Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products
50000561	2	ChEBML_1685717	Inhibition of CYP2C9 (unknown origin)
50036828	1	ChEMBL_145243 (CHEMBL873919)	Binding affinity of Opioid receptor kappa 1 to cloned human opioid receptor in CHO cell membrane.
50036828	3	ChEMBL_147239 (CHEMBL755507)	Human Opioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).
50036828	4	ChEMBL_147240 (CHEMBL755508)	Human kOpioid receptor kappa 1 mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).
50036828	6	ChEMBL_148226 (CHEMBL753235)	Binding affinity towards cloned human Opioid receptor mu 1 in CHO cell membranes.
50000561	3	ChEBML_1685726	Inhibition of 11beta-HSD2 (unknown origin)
50000561	4	ChEBML_1685728	Inhibition of 17beta-HSD1 (unknown origin)
50000561	5	ChEBML_1685729	Inhibition of PXR (unknown origin)
50036828	8	ChEMBL_147238 (CHEMBL755506)	Human Opioid receptor kappa 1<br>mediated stimulation of [35S]- GTPgammaS binding in CHO cells (Agonist potency).
50000561	7	ChEBML_1685713	Inhibition of recombinant CYP3A4 (unknown origin)
50036829	1	ChEMBL_31046 (CHEMBL642117)	Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes
50036829	2	ChEMBL_29105 (CHEMBL638717)	Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes
50036829	3	ChEMBL_31246 (CHEMBL642211)	Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes
50036829	4	ChEMBL_29104 (CHEMBL638716)	Displacement of [3H]CHA from A1 Adenosine receptor of Bovine brain cortical membranes
50036830	2	ChEMBL_61634 (CHEMBL673090)	Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D2L expressed in CHO K-1 cells
50036830	3	ChEMBL_61622 (CHEMBL673078)	Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]N-0437 as radioligand
50036830	4	ChEMBL_61630 (CHEMBL673086)	Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells
50036830	5	ChEMBL_60503 (CHEMBL673332)	Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells
50036830	6	ChEMBL_60821 (CHEMBL872784)	Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells
50036830	7	ChEMBL_1442 (CHEMBL616315)	Tested for binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus
50036830	8	ChEMBL_61785 (CHEMBL670539)	Agonist activity by measuring the [3H]thymidine uptake against Dopamine receptor D2L from rat
50036830	9	ChEMBL_62612 (CHEMBL678235)	Agonist activity by measuring the [3H]-thymidine uptake against Dopamine receptor D3 from rat
50036830	10	ChEMBL_61624 (CHEMBL673080)	Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand
50036830	11	ChEMBL_63089 (CHEMBL676185)	Tested for antagonist binding affinity by measuring displacement of [3H]-spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells
50036830	12	ChEMBL_62613 (CHEMBL678236)	Agonist activity by measuring the [3H]thymidine uptake against Dopamine receptor D3 from rat
50036830	13	ChEMBL_61784 (CHEMBL670538)	Agonist activity by measuring the [3H]thymidine uptake against Dopamine receptor D2L from rat
50036831	6	ChEMBL_92943 (CHEMBL706154)	Inhibition of [3H](+)-PN200-110 binding to calcium channels of rat heart membranes.
50036831	2	ChEMBL_92775 (CHEMBL700075)	Inhibition of [3H](+)-PN200-110 binding to calcium channels of rat heart membranes.
50000561	12	ChEMBL_1685716 (CHEMBL4036195)	Inhibition of human ERG
50000561	9	ChEBML_1685710	Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by enzyme addition measured after 90 mins by microbeta scintillation proximity assay
50036832	1	ChEMBL_223228 (CHEMBL843812)	Binding affinity against bovine brain nNOS (neuronal).
50036832	2	ChEMBL_89364 (CHEMBL699694)	Binding affinity against recombinant murine Inducible nitric oxide synthase.
50036832	3	ChEMBL_65142 (CHEMBL678110)	Binding affinity against recombinant bovine Endothelial nitric oxide synthase.
50036833	1	ChEMBL_69701 (CHEMBL681097)	Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay
50036833	2	ChEMBL_69703 (CHEMBL680579)	Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay
50036834	1	ChEMBL_61357 (CHEMBL673259)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.
50036834	3	ChEMBL_61356 (CHEMBL673258)	Inhibition of [3H]WIN-35428 binding to the dopamine transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.
50036834	4	ChEMBL_201228 (CHEMBL801384)	Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.
50036834	2	ChEMBL_201227 (CHEMBL801383)	Inhibition of [3H]citalopram binding to the serotonin transporter in cynomolgus (macaca fascicularis) monkey caudate putamen.
50036835	1	ChEMBL_149146 (CHEMBL759237)	Displacement of [3H]diprenorphine from opioid receptor mu 1 on crude membrane fractions obtained from whole rat brain (minus cerebellum)
50036835	2	ChEMBL_147188 (CHEMBL759361)	Displacement of [3H]diprenorphine opioid receptor delta 1 on crude membrane fractions obtained from the whole rat brain (minus cerebellum)
50000566	9	ChEMBL_1685776 (CHEMBL4036255)	Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system using N-terminal His-tagged MCM2 as substrate pretreated for 10 mins followed by ATP addition by TR-FRET assay
50000566	8	ChEMBL_1685777 (CHEMBL4036256)	Inhibition of full length human CDC2 (1 to 298 residues)/human N-terminal GST-tagged CyclinE1 (1 to 410 residues) expressed in baculovirus expression system using histone H1 as substrate measured after 90 mins by Kinase-Glo luminescence assay
50000561	10	ChEBML_1685727	Inhibition of 3beta-HSD2 (unknown origin)
50000562	1	ChEBML_1685743	Inhibition of recombinant full length human N-terminal GST-tagged Aurora B expressed in baculovirus infected Sf9 cells using myelin basic protein as substrate after 60 mins by ADP-Glo luminescence assay
50000563	1	ChEBML_1685753	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr by microbeta liquid scintillation counting analysis
50000563	2	ChEBML_1685750	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta liquid scintillation counting analysis
50036836	9	ChEMBL_62069 (CHEMBL672369)	In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.
50036836	10	ChEMBL_62071 (CHEMBL672371)	In vitro affinity at mutant D2 receptor (S193A) in C6 (glioma) cell membranes.
50000563	3	ChEBML_1685751	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by microbeta liquid scintillation counting analysis
50000563	4	ChEBML_1685752	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta liquid scintillation counting analysis
50036837	1	ChEMBL_39229 (CHEMBL655075)	Inhibitory Activity against bovine beta-trypsin
50036837	2	ChEMBL_210660 (CHEMBL811784)	Inhibitory Activity against Trypsin
50036837	3	ChEMBL_210592 (CHEMBL872719)	Inhibitory Activity against bovine thrombin
50036837	4	ChEMBL_212517 (CHEMBL817582)	Inhibitory Activity against bovine trypsin
50036837	5	ChEMBL_48480 (CHEMBL875383)	Inhibitory Activity against bovine Coagulation factor X
50036837	6	ChEMBL_208500 (CHEMBL811975)	Inhibitory Activity against human thrombin
50036837	7	ChEMBL_207990 (CHEMBL816073)	Inhibitory activity against human thrombin
50036837	8	ChEMBL_49148 (CHEMBL663248)	Inhibitory Activity against Coagulation factor X
50036837	9	ChEMBL_209073 (CHEMBL809539)	Inhibitory Activity against Thrombin
50036837	10	ChEMBL_49162 (CHEMBL663261)	Inhibitory activity against human Coagulation factor Xa
50036837	11	ChEMBL_48631 (CHEMBL659612)	Inhibitory Activity against human Coagulation factor X
50036837	12	ChEMBL_160849 (CHEMBL771784)	Inhibitory Activity against bovine alpha-thrombin
50036838	1	ChEMBL_54905 (CHEMBL664714)	Inhibitory concentration against Lactobacillus casei Dihydrofolate reductase
50036838	2	ChEMBL_54126 (CHEMBL668081)	Inhibitory concentration against recombinant human (rh) Dihydrofolate reductase
50036838	3	ChEMBL_53469 (CHEMBL665594)	Inhibitory concentration against Toxoplasma gondii Dihydrofolate reductase
50036838	4	ChEMBL_209620 (CHEMBL878873)	Inhibitory concentration against recombinant human (rh) Thymidylate synthase (TS)
50036838	5	ChEMBL_208760 (CHEMBL812314)	Inhibitory concentration against Escherichia coli Thymidylate synthase (TS).
50036838	6	ChEMBL_209116 (CHEMBL812566)	Inhibitory concentration against Lactobacillus casei Thymidylate synthase (TS).
50036838	8	ChEMBL_209996 (CHEMBL872750)	Inhibitory concentration against rat Thymidylate synthase (TS)
50036838	9	ChEMBL_52866 (CHEMBL666225)	Inhibitory activity against Dihydrofolate reductase
50036838	10	ChEMBL_53467 (CHEMBL665592)	Inhibitory concentration against Toxoplasma gondii Dihydrofolate reductase
50036838	7	ChEMBL_54388 (CHEMBL666738)	Inhibitory concentration against Escherichia coli Dihydrofolate reductase
50036839	1	ChEMBL_211806 (CHEMBL811878)	Inhibitory activity against Trypanosoma cruzi trypanothione reductase
50036839	2	ChEMBL_211805 (CHEMBL811877)	Inhibitory activity against Trypanosoma cruzi trypanothione reductase
50036839	3	ChEMBL_72595 (CHEMBL681183)	Inhibitory activity against Human Erythrocyte glutathione reductase (GR).
50036840	2	ChEMBL_62652 (CHEMBL679187)	Inhibition of [3H]mazindol binding to dopamine transporter of rat striatal membranes.
50000563	5	ChEBML_1685749	Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cell membranes after 1 hr by microbeta liquid scintillation counting analysis
50036840	1	ChEMBL_181697 (CHEMBL788106)	Inhibition of high affinity uptake of [3H]dopamine into nerve endings (synaptosomes) prepared from various regions of the rat brain.
50036842	1	ChEMBL_36428 (CHEMBL649839)	Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone
50036843	3	ChEMBL_145382 (CHEMBL750072)	Displacement of radioligand [3H]- U-69,593 on Opioid receptor kappa 1 in monkey brain membranes range; Value ranges from (9.7-14.2)
50036843	4	ChEMBL_146574 (CHEMBL755063)	Displacement of radioligand [3H]- DAMGO on Opioid receptor mu 1 in monkey brain membranes
50036843	5	ChEMBL_145381 (CHEMBL750071)	Displacement of radioligand [3H]- U-69,593 on Opioid receptor kappa 1 in monkey brain membranes
50036843	6	ChEMBL_146575 (CHEMBL755064)	Displacement of radioligand [3H]- DAMGO on Opioid receptor mu 1 in monkey brain membranes range; Value ranges from (0.32-0.91)
50036844	2	ChEMBL_61428 (CHEMBL671402)	Concentration required for 50% inhibitory effect on Dopamine receptor D2 determined in competition experiments with [3H]raclopride
50000566	12	ChEMBL_1685783 (CHEMBL4036262)	Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system using N-terminal His-tagged MCM2 as substrate measured immediately in presence of 50 uM ATP TR-FRET assay
50036845	1	ChEMBL_159325 (CHEMBL769378)	Inhibition of HIV-1 protease in vitro.
50036845	2	ChEMBL_159321 (CHEMBL769374)	Concentration required for 50% inhibition of Protease
50036845	3	ChEMBL_222918 (CHEMBL842692)	Dissociation constant obtained by inhibition of mutant HIV-protease (V-18)
50036845	4	ChEMBL_222917 (CHEMBL842691)	Dissociation constant obtained by inhibition of mutant HIV-protease (K-60)
50036845	5	ChEMBL_216596 (CHEMBL821387)	Dissociation constant obtained by inhibition of Wild-type protease
50036845	6	ChEMBL_159326 (CHEMBL769379)	Evaluated for the inhibition of Protease
50036845	7	ChEMBL_222916 (CHEMBL842690)	Dissociation constant obtained by inhibition of mutant HIV-protease (A-44)
50036846	1	ChEMBL_219258 (CHEMBL881612)	In vitro inhibition of gel filtered platelet aggregation induced by ADP.
50036846	2	ChEMBL_30125 (CHEMBL641167)	Inhibition of fibrinogen binding to alpha IIb beta-3 integrin
50036846	4	ChEMBL_222940 (CHEMBL845760)	Inhibition of platelet aggregation
50036846	5	ChEMBL_70163 (CHEMBL683383)	Inhibition of fibrinogen binding to activated platelets
50036846	6	ChEMBL_222945 (CHEMBL845764)	Inhibition of platelet aggregation
50036846	7	ChEMBL_30126 (CHEMBL641168)	Inhibition of fibrinogen binding to alpha IIb beta-3 integrin using thrombin inhibitor PPACK as anticoagulant
50036846	8	ChEMBL_219306 (CHEMBL822664)	Inhibition of glycoprotein IIb/III and platelet aggregation in human platelet rich plasma
50036846	9	ChEMBL_219985 (CHEMBL841607)	Inhibition of human platelet aggregation
50036846	10	ChEMBL_30129 (CHEMBL641171)	Dissociation constant for alpha IIb beta-3 integrin rested platelets
50036846	11	ChEMBL_219986 (CHEMBL841608)	Inhibition of human platelet aggregation collected with sodium citrate as anticoagulant
50036846	12	ChEMBL_90346 (CHEMBL697023)	Inhibition of human platelet aggregation
50036846	13	ChEMBL_219988 (CHEMBL841610)	Inhibition of human platelet aggregation
50036846	14	ChEMBL_216216 (CHEMBL823700)	Inhibition of canine platelet aggregation
50036846	15	ChEMBL_46124 (CHEMBL876969)	Inhibition canine platelet aggregation in platelet rich plasma (PRP)
50036846	17	ChEMBL_222946 (CHEMBL845765)	Inhibition of ADP-induced platelet aggregation
50036846	18	ChEMBL_30130 (CHEMBL641172)	Dissociation constant for alpha IIb beta-3 integrin rested platelets
50036846	19	ChEMBL_219259 (CHEMBL822371)	Inhibition of human gel filtered platelet aggregation induced by ADP
50036846	20	ChEMBL_90345 (CHEMBL697022)	Inhibition of fixed platelet aggregation
50036846	21	ChEMBL_217050 (CHEMBL824023)	Inhibition of collagen-induced platelet aggregation
50036846	22	ChEMBL_90347 (CHEMBL697024)	Inhibition of human platelet aggregation
50036846	23	ChEMBL_219303 (CHEMBL822662)	Inhibition of 2.5 uM ADP induced human platelet aggregation in platelet rich plasma
50036846	24	ChEMBL_219304 (CHEMBL822663)	Inhibition of ADP-induced human platelet aggregation in platelet rich plasma
50036846	25	ChEMBL_154129 (CHEMBL759800)	Inhibition of human platelet aggregation in platelet rich plasma (PRP)
50036846	26	ChEMBL_219305 (CHEMBL881722)	Inhibition of human platelet aggregation in platelet rich plasma
50036846	27	ChEMBL_222944 (CHEMBL845763)	Inhibition of ADP-induced platelet aggregation
50036846	28	ChEMBL_30123 (CHEMBL640480)	Inhibition of alpha IIb beta-3 integrin mediated platelet aggregation
50036846	30	ChEMBL_219302 (CHEMBL822661)	Inhibition of ADP-induced platelet aggregation in human platelet rich plasma
50036846	31	ChEMBL_90164 (CHEMBL696985)	Inhibition of platelet aggregation
50036846	32	ChEMBL_30124 (CHEMBL641166)	Inhibition of [125]fibrinogen binding to alpha IIb beta-3 integrin
50036846	33	ChEMBL_219634 (CHEMBL873393)	Inhibition of human gel filtered platelet aggregation mediated by 10 uM ADP
50036846	34	ChEMBL_219989 (CHEMBL841611)	inhibition of platelet aggregation in human platelet rich plasma
50036846	35	ChEMBL_30132 (CHEMBL641174)	Dissociation constant for [3H]-DMP728 binding to alphaIIb beta III integrin
50036846	36	ChEMBL_216097 (CHEMBL817686)	Inhibition of canine platelet aggregation
50036846	37	ChEMBL_220118 (CHEMBL840546)	Inhibition of platelet aggregation in human platelet rich plasma
50036846	38	ChEMBL_30127 (CHEMBL641169)	Inhibition of alpha IIb beta-3 integrin mediated platelet aggregation
50036846	39	ChEMBL_219987 (CHEMBL841609)	Inhibition of unactivated human platelet aggregation
50036846	41	ChEMBL_30131 (CHEMBL641173)	Dissociation constant for alpha IIb beta-3 integrin activated platelets
50036847	1	ChEMBL_141333 (CHEMBL752912)	Inhibition of N-type calcium channel in IMR32 human neuroblastoma cells using fluorescent [Ca2+] indicator Indo-1 in the presence of 5 uM nitrendipine (L-type [Ca2+] channel inhibitor)
50036848	1	ChEMBL_144590 (CHEMBL882330)	inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus
50036848	2	ChEMBL_144595 (CHEMBL747370)	inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza B virus.
50036849	1	ChEMBL_196355 (CHEMBL878547)	Inhibition of virion associated RT activity relative to untreated, infected control in cord blood mononuclear cells (CBMC) infected with HIV -1 TC354 strain
50036849	2	ChEMBL_158040 (CHEMBL768264)	Inhibitory constant against HIV-1 protease
50036849	3	ChEMBL_196351 (CHEMBL804204)	Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strain
50036849	4	ChEMBL_196354 (CHEMBL804207)	Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strain
50036849	5	ChEMBL_196352 (CHEMBL804205)	Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-2 strain (ROD)
50036849	6	ChEMBL_196353 (CHEMBL804206)	Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells of HIV-1 237288 strain
50036850	1	ChEMBL_50175 (CHEMBL662233)	Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas
50036850	2	ChEMBL_48262 (CHEMBL662290)	Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex
50036851	1	ChEMBL_63091 (CHEMBL676187)	in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand.
50036851	3	ChEMBL_61638 (CHEMBL671517)	in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligand.
50036851	4	ChEMBL_61639 (CHEMBL872883)	in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand.
50036851	6	ChEMBL_61637 (CHEMBL671516)	in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radioligand.
50036851	7	ChEMBL_61787 (CHEMBL670541)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay
50036851	8	ChEMBL_62616 (CHEMBL678239)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay (intrinsic activity)
50036851	9	ChEMBL_62615 (CHEMBL678238)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay
50036851	10	ChEMBL_61788 (CHEMBL670542)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intrinsic activity)
50036851	11	ChEMBL_61468 (CHEMBL672520)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intrinsic activity)
50036851	12	ChEMBL_60831 (CHEMBL675974)	in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand.
50036851	13	ChEMBL_62437 (CHEMBL676636)	in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand.
50036851	16	ChEMBL_61965 (CHEMBL670422)	Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay (intrinsic activity)
50000566	11	ChEMBL_1685784 (CHEMBL4036263)	Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system using N-terminal His-tagged MCM2 as substrate pretreated for 60 mins followed by 50 uM ATP addition by TR-FRET assay
50000566	10	ChEMBL_1685787 (CHEMBL4036266)	Binding affinity to recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus expression system by proteros reporter displacement assay
50000566	3	ChEBML_1685778	Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using Biotin-STK2 as substrate pretreated for 5 mins followed by ATP addition after 2 hrs by TR-FRET assay
50036853	1	ChEMBL_48932 (CHEMBL665927)	In vitro concentration required to inhibit 50% of cholesteryl ester transfer protein mediated cholesteryl ester transfer from HDL to VLDL and LDL in human plasma
50036854	3	ChEMBL_148224 (CHEMBL753233)	Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.
50036854	1	ChEMBL_145254 (CHEMBL751032)	Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.
50000566	4	ChEBML_1685781	Inhibition of Cdc7 in human HeLa cells assessed as reduction in MCM2 phosphorylation at ser40 residues after 7 hrs by Western blot analysis
50036856	1	ChEMBL_105961 (CHEMBL715374)	In vitro inhibition of human recombinant matrix metalloprotease-1 (MMP-1)
50036856	2	ChEMBL_106476 (CHEMBL719145)	In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)
50036856	3	ChEMBL_104915 (CHEMBL713451)	In vitro inhibition of matrix metalloprotease-7 (MMP-7)
50036856	4	ChEMBL_105233 (CHEMBL712564)	In vitro inhibition of matrix metalloprotease-9 (MMP-9)
50036856	5	ChEMBL_104367 (CHEMBL715828)	In vitro inhibition of matrix metalloprotease-2 (MMP-2)
50036856	6	ChEMBL_104706 (CHEMBL709520)	In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)
50036857	1	ChEMBL_201885 (CHEMBL809040)	Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes
50036857	2	ChEMBL_201883 (CHEMBL809038)	Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes (high)
50036857	3	ChEMBL_201886 (CHEMBL809041)	Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes.
50036857	4	ChEMBL_201884 (CHEMBL809039)	Binding affinity for sigma receptor was evaluated by the inhibitory effect on [3H]DTG to rat whole brain membranes (low)
50036858	1	ChEMBL_140881 (CHEMBL752512)	Binding affinity at the norepinephrine transporter was measured using [125I]RTI-55 as a radioligand
50036858	2	ChEMBL_201352 (CHEMBL806214)	Inhibition of [3H]5-HT reuptake in HEK293 cells expressing human serotonin transporter
50036858	3	ChEMBL_140880 (CHEMBL752511)	Inhibition of [3H]NE reuptake by human norepinephrine transporter expressed in HEK293 cells
50036858	4	ChEMBL_201369 (CHEMBL872702)	Binding affinity for serotonin transporter using [125I]RTI-55
50036858	5	ChEMBL_61655 (CHEMBL670789)	Inhibition of [125I]RTI-55 binding to dopamine transporter
50036858	6	ChEMBL_61511 (CHEMBL670828)	Inhibition of [3H]dopamine reuptake in HEK293 cells expressing human dopamine transporter
50036859	1	ChEMBL_159907 (CHEMBL768956)	Inhibitory activity against prostaglandin G/H synthase 2
50036859	2	ChEMBL_158914 (CHEMBL763302)	Inhibitory activity against prostaglandin G/H synthase 1
50000567	2	ChEMBL_1685823 (CHEMBL4036302)	Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-inhibitor complex using varying levels of xanthine as substrate by Line-weaver burk plot analysis
50000567	4	ChEMBL_1685821 (CHEMBL4036300)	Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 mins by spectrophotometric method
50000567	1	ChEMBL_1685824 (CHEMBL4036303)	Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by Line-weaver burk plot analysis
50000567	3	ChEBML_1685824	Mixed-type inhibition of bovine milk xanthine oxidase assessed as enzyme-substrate-inhibitor complex using varying levels of xanthine as substrate by Line-weaver burk plot analysis
50000569	1	ChEMBL_1685910 (CHEMBL4036389)	Inhibition of BRD4 in human HL60 cells assessed as reduction in C-myc production after 24 hrs by ELISA
50000569	3	ChEMBL_1685889 (CHEMBL4036368)	Inhibition of recombinant human N-terminal His-tagged BRD4 bromodomain 1 (49 to 170 residues) expressed in Escherichia coli using biotinylated peptide containing acetylated lysine as substrate pretreated for 15 mins followed by substrate addition after 1 hr by TR-FRET assay
50000568	1	ChEBML_1685885	Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow assay
50000568	2	ChEBML_1685886	Inhibition of recombinant human cytosolic carbonic anhydrase 2 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow assay
50000568	3	ChEBML_1685887	Inhibition of recombinant human membrane bound carbonic anhydrase 9 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow assay
50000568	4	ChEBML_1685888	Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow assay
50036861	1	ChEMBL_222333 (CHEMBL823612)	Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation
50036861	2	ChEMBL_29992 (CHEMBL642180)	Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.
50036861	4	ChEMBL_29142 (CHEMBL637713)	Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.
50036861	5	ChEMBL_29143 (CHEMBL637714)	Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.
50036861	3	ChEMBL_29141 (CHEMBL637712)	Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.
50000569	2	ChEBML_1685910	Inhibition of BRD4 in human HL60 cells assessed as reduction in C-myc production after 24 hrs by ELISA
50000576	10	ChEMBL_1686073 (CHEMBL4036552)	Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes
50000571	1	ChEBML_1685918	Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins
50000571	2	ChEBML_1685919	Inhibition of FLAG-tagged human DPP8 expressed in 293-F cells pre-incubated for 20 mins before Gly-Pro-pNA substrate addition and measured after 90 mins
50036862	1	ChEMBL_205186 (CHEMBL811334)	Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells
50036862	2	ChEMBL_205063 (CHEMBL810257)	Inhibition of recombinant Steroid 5-alpha-reductase type I expressed in CHO cells
50036862	3	ChEMBL_205064 (CHEMBL810258)	Inhibition of recombinant steroid 5-alpha-reductase type I expressed in CHO cells
50036862	4	ChEMBL_205062 (CHEMBL810256)	Inhibitory activity against Steroid 5-alpha-reductase type I in human scalp homogenates
50036862	5	ChEMBL_205040 (CHEMBL812399)	Inhibitory activity against steroid 5-alpha-reductase type 2 in human prostate homogenates
50036862	6	ChEMBL_205187 (CHEMBL811335)	Inhibitory activity against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells
50036863	1	ChEMBL_48591 (CHEMBL662471)	In vitro inhibition of [3H]propionyl-CCK-8 binding to rat cerebral cortex membranes at Cholecystokinin type B receptor.
50036863	2	ChEMBL_50190 (CHEMBL662405)	In vitro inhibition of [3H]propionyl-CCK-8 binding to rat pancreatic membranes at Cholecystokinin type A receptor.
50000573	1	ChEBML_1685924	Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate
50036865	2	ChEMBL_205736 (CHEMBL809503)	Tested for binding affinity against Tachykinin receptor 1
50036865	3	ChEMBL_209025 (CHEMBL816320)	Tested for binding affinity against Tachykinin receptor 2 expressed in CHO cells, using [125]SP as radioligand.
50036865	4	ChEMBL_216598 (CHEMBL821389)	Tested for binding affinity against human wild type NK1 receptor expressed in CHO cells, using [125]SP as radioligand.
50036865	5	ChEMBL_222920 (CHEMBL842694)	Tested for binding affinity against H265A mutant NK1 receptor using [125]SP radioligand in COS cells.
50036865	6	ChEMBL_222919 (CHEMBL842693)	Tested for binding affinity against H197A mutant NK1 receptor using [125]SP radioligand in COS cells.
50036865	7	ChEMBL_222921 (CHEMBL842695)	Tested for binding affinity against Q165A mutant NK1 receptor expressed in CHO cells, using [125]SP as radioligand
50036865	9	ChEMBL_223908 (CHEMBL884900)	Tested for binding affinity against human somatostatin receptor subtype 4 (hSSTR4)
50036865	1	ChEMBL_205737 (CHEMBL809504)	Tested for binding affinity against Tachykinin receptor 1 expressed in CHO cells, using [125]SP as radioligand.
50036866	1	ChEMBL_53474 (CHEMBL665599)	Inhibitory concentration against isolated Toxoplasma gondii DHFR (dihydrofolate reductase)
50036866	2	ChEMBL_54125 (CHEMBL668080)	Inhibitory concentration against isolated human Dihydrofolate reductase
50036866	3	ChEMBL_209995 (CHEMBL811642)	Inhibitory concentration against isolated rat thymidylate synthase
50036866	4	ChEMBL_209619 (CHEMBL816736)	Inhibitory concentration against isolated Thymidylate synthase
50036866	5	ChEMBL_54906 (CHEMBL664715)	Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductase
50036866	6	ChEMBL_208762 (CHEMBL811075)	Inhibitory concentration against isolated Escherichia coli Thymidylate synthase
50036866	8	ChEMBL_209117 (CHEMBL877966)	Inhibitory concentration against isolated Lactobacillus casei Thymidylate synthase
50036866	9	ChEMBL_209617 (CHEMBL817511)	Inhibitory concentration against human TS
50036866	7	ChEMBL_54390 (CHEMBL668774)	Inhibitory concentration against isolated Escherichia coli Dihydrofolate reductase
50036866	10	ChEMBL_54124 (CHEMBL668282)	Inhibitory concentration against human dihydrofolate reductase (DHFR),
50036866	11	ChEMBL_52989 (CHEMBL665258)	Inhibitory concentration against isolated Pneumocystis carinii DHFR (Dihydrofolate reductase)
50000574	1	ChEBML_1686037	Displacement of [125I]-human ANP from human NPR-1 incubated for 2 hrs by top count method
50036866	12	ChEMBL_209618 (CHEMBL816735)	Inhibitory concentration against human Thymidylate synthase(TS)
50036866	13	ChEMBL_54123 (CHEMBL668281)	Inhibitory concentration against human dihydrofolate reductase (DHFR)
50036867	2	ChEMBL_54942 (CHEMBL669013)	Ability to inhibit recombinant rat liver dihydrofolate reductase.
50036867	1	ChEMBL_53963 (CHEMBL669449)	Ability to inhibit recombinant human dihydrofolate reductase.
50036868	1	ChEMBL_63087 (CHEMBL676183)	Binding affinity to dopamine receptor D4 cloned from human, using [3H]- YM09151 as competitive ligand
50036868	2	ChEMBL_60062 (CHEMBL671376)	Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D2 in CHO cells
50036868	3	ChEMBL_59915 (CHEMBL671074)	Binding affinity to dopamine receptor D2 cloned from human, using [3H]- YM09151 as competitive ligand
50000574	2	ChEBML_1686038	Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubated for 2 hrs by top count method
50036868	4	ChEMBL_60659 (CHEMBL671696)	Antagonism of dopamine-stimulated [35S]GTP-gamma-S binding against human Dopamine receptor D4 in CHO cells
50036869	1	ChEMBL_148531 (CHEMBL874633)	Binding affinity was measured in cloned Opioid receptor mu 1 expressed in CHO cells using [3H]- DAMGO as radioligand.
50036869	2	ChEMBL_145769 (CHEMBL752787)	Binding affinity was measured in cloned Opioid receptor delta 1 expressed in CHO cells using [3H]- DPDPE as radioligand.
50036870	1	ChEMBL_86763 (CHEMBL698663)	Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine
50036870	2	ChEMBL_87237 (CHEMBL696457)	Inhibition against histamine-metabolizing enzyme Histamine N-methyl-transferase
50036870	3	ChEMBL_86762 (CHEMBL698662)	Compounds were tested for their effect at histamine H3 receptors in vitro on synaptosomes of rat cerebral cortex for the release of [3H]histamine
50036871	2	ChEMBL_51306 (CHEMBL884356)	Compound was tested for its inhibitory activity against cyclin-dependent kinase 5
50000575	1	ChEBML_1686052	Competitive inhibition of Bovine liver beta-galactosidase using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins before substrate addition
50000575	2	ChEBML_1686054	Competitive inhibition of recombinant beta-glucocerebrosidase (unknown origin) using 4-nitrophenyl beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins before substrate addition
50000575	3	ChEBML_1686056	Competitive inhibition of human fibroblast lysosomal beta-galactosidase using 4-methylumbelliferyl-beta-D-galactopyranoside as substrate pre-incubated for up to 5 mins before substrate addition and measured after 30 mins
50000576	11	ChEMBL_1686075 (CHEMBL4036554)	Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes
50000576	2	ChEBML_1686075	Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes
50000576	1	ChEMBL_1686082 (CHEMBL4036561)	Agonist activity at human recombinant KOR expressed in CHO cells assessed as cAMP accumulation
50000576	12	ChEMBL_1686074 (CHEMBL4036553)	Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes
50000576	8	ChEMBL_1686078 (CHEMBL4036557)	Agonist activity at human recombinant DOR expressed in CHO cells assessed as cAMP accumulation
50036871	4	ChEMBL_51306 (CHEMBL884356)	Compound was tested for its inhibitory activity against cyclin-dependent kinase 5
50000576	3	ChEBML_1686074	Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes
50000576	4	ChEBML_1686073	Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes
50000576	5	ChEMBL_1686080 (CHEMBL4036559)	Agonist activity at human recombinant MOR expressed in CHO cells assessed as cAMP accumulation
50000576	6	ChEBML_1686073	Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes
50000577	2	ChEMBL_1686117 (CHEMBL4036596)	Inhibition of human ERG
50036872	1	ChEMBL_88763 (CHEMBL701797)	Kd value against HIV-1 integrase
50000580	2	ChEMBL_1686155 (CHEMBL4036634)	Inhibition of LSD1 (unknown origin)
50000579	1	ChEBML_1686154	Agonist activity at vitamin D receptor (unknown origin) expressed in HEK293 cells co-expressing pCMX-RXRalpha and pCMX-beta-galactosidase assessed as induction of receptor transactivation incubated for 16 to 24 hrs by luciferase reporter gene assay
50000580	1	ChEBML_1686155	Inhibition of LSD1 (unknown origin)
50036874	3	ChEMBL_50357 (CHEMBL662517)	Evaluated for the inhibitory activity towards Cytochrome P450 17 human enzyme using testicular microsome at 25 uM of substrate (progesterone)
50036874	4	ChEMBL_205033 (CHEMBL813274)	Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells
50036874	1	ChEMBL_50370 (CHEMBL661713)	Evaluated for the inhibitory activity towards Cytochrome P450 17 rat enzyme using testicular microsome at 25 uM of substrate (progesterone)
50036874	5	ChEMBL_205066 (CHEMBL810260)	Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells
50036874	6	ChEMBL_204910 (CHEMBL809545)	Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type 2 from human BPH tissue at 210 nM of testosterone
50036874	7	ChEMBL_205058 (CHEMBL810252)	Evaluated for the inhibitory activity against human steroid 5-alpha-reductase type I in human DU-145 cell assay at 5 nM of androstenedione
50000583	2	ChEMBL_1686168 (CHEMBL4036647)	Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophotometry
50036874	9	ChEMBL_50358 (CHEMBL662518)	Inhibition of human Cytochrome P450 17
50036874	10	ChEMBL_205059 (CHEMBL810253)	Inhibition of Human steroid 5-alpha-reductase type I expressed in HEK293 cells
50000582	1	ChEBML_1686165	Inhibition of ovine COX1
50000582	2	ChEBML_1686166	Inhibition of ovine COX2
50036874	11	ChEMBL_50371 (CHEMBL661714)	Inhibition of rat Cytochrome P450 17
50000583	1	ChEBML_1686168	Inhibition of Trichoderma viride chitinase incubated for 10 mins to 3 hrs using 4-nitrophenyl N-acetyl-beta-D-glucosaminide substrate by spectrophotometry
50036874	12	ChEMBL_205034 (CHEMBL812393)	Inhibition of Human steroid 5-alpha-reductase type II expressed in HEK293 cells
50036875	1	ChEMBL_220568 (CHEMBL841849)	Tested for potentiation towards human iGluR4 receptor expressed in HEK293 cells
50036876	1	ChEMBL_203040 (CHEMBL814254)	Inhibition of steroid sulfatase activity of JEG-3 cells
50036876	2	ChEMBL_203052 (CHEMBL811396)	Steroid sulfatase activity was determined in human embryonic kidney (HEK)-293 cells transfected with a sulfatase expression vector (pCMV-sulfa) using 100 uM of [3H]E1S
50036876	3	ChEMBL_203039 (CHEMBL814253)	Inhibition of steroid sulfatase activity of JEG-3 cells by the compound at 20 uM, activity was determined by considering total labeled estrone ([3H]E1) formed from labeled estrone sulfate ([3H]-E1S)
50036876	4	ChEMBL_203037 (CHEMBL814251)	Inhibition of steroid sulfatase activity by the compound was determined in human embryonic kidney (HEK)-293 cells transfected with a sulfatase expression vector (pCMV-sulfa) using 100 uM of [3H]E1S
50036876	5	ChEMBL_203051 (CHEMBL811395)	Steroid sulfatase activity was determined in human embryonic kidney (HEK)-293 cells transfected with a sulfatase expression vector (pCMV-sulfa) using 100 uM of [14C]-DHEAS
50036876	6	ChEMBL_203038 (CHEMBL814252)	Inhibition of steroid sulfatase activity by the compound was determined in human embryonic kidney (HEK)-293 cells transfected with a sulfatase expression vector (pCMV-sulfa) using 100 uM of [14C]-DHEAS
50000587	5	ChEMBL_1686247 (CHEMBL4036726)	Inhibition of BTK in human monocytes assessed as inhibition of FCgammaR activation-induced TNFalpha production by ELISA
50000587	2	ChEMBL_1686246 (CHEMBL4036725)	Inhibition of BTK in human B-cells assessed as decrease in BCR-stimulated B-cell proliferation after 8 hrs by [3H]-thymidine incorporation assay
50000584	1	ChEBML_1686176	Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-FRET assay
50000584	2	ChEBML_1686180	Inhibition of CYP3A4 (unknown origin)
50000584	3	ChEBML_1686181	Inhibition of CYP2C9 (unknown origin)
50036878	1	ChEMBL_79464 (CHEMBL694660)	Tested in vitro against HIV-1 MDR using MAGI assay
50036879	1	ChEMBL_45236 (CHEMBL657194)	Inhibition of human recombinant carbonic anhydrase II (CA2)
50036879	2	ChEMBL_45431 (CHEMBL657032)	Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes
50036879	3	ChEMBL_44853 (CHEMBL653167)	Inhibition of human recombinant carbonic anhydrase I (CA1)
50036879	4	ChEMBL_44855 (CHEMBL653169)	Tested for inhibition of human (cloned) isozyme Carbonic anhydrase I
50036879	5	ChEMBL_47503 (CHEMBL662729)	99 Tested for inhibition of human (cloned) isozyme Carbonic anhydrase I
50036879	6	ChEMBL_44854 (CHEMBL653168)	Tested for inhibition of human (cloned) isoenzyme carbonic anhydrase 1.
50036880	1	ChEMBL_60326 (CHEMBL879567)	Binding affinity against Dopamine receptor D1 from bovine striatal membranes using [3H]SCH-23390 as radioligand
50036880	2	ChEMBL_60327 (CHEMBL675088)	Displacement of [3H]SCH-23390 from Dopamine receptor D1 of bovine striatal membranes
50036880	3	ChEMBL_62269 (CHEMBL675671)	Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO cells
50036880	4	ChEMBL_61481 (CHEMBL672383)	Displacement of [3H]spiperone from human Dopamine receptor D2L expressed in CHO cells
50036880	5	ChEMBL_61185 (CHEMBL670999)	Displacement of [3H]spiperone from human Dopamine receptor D4.4 expressed in CHO cells
50036880	6	ChEMBL_61813 (CHEMBL672577)	Displacement of [3H]spiperone from human Dopamine receptor D2S expressed in CHO cells
50036880	7	ChEMBL_61001 (CHEMBL675193)	Effective dose was measured by the stimulation of mitogenesis at Dopamine receptor D4.2
50036880	8	ChEMBL_62270 (CHEMBL675672)	Competitive binding affinity against human Dopamine receptor D3 by displacing [3H]spiperone from CHO cells
50036880	9	ChEMBL_60686 (CHEMBL675852)	Competitive binding affinity against human Dopamine receptor D4 by displacing [3H]spiperone from CHO cells
50036880	10	ChEMBL_52725 (CHEMBL663144)	Effective dose was measured by the stimulation of mitogenesis at dopamine D4.2 receptor
50036880	11	ChEMBL_61814 (CHEMBL672578)	Competitive binding affinity against human Dopamine receptor D2S by displacing [3H]spiperone from CHO cells
50036881	1	ChEMBL_157848 (CHEMBL768586)	Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages
50036881	2	ChEMBL_159260 (CHEMBL764087)	Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages
50036881	3	ChEMBL_159265 (CHEMBL764251)	Tested for inhibition against Prostaglandin G/H synthase 1 from mouse resident macrophages
50036881	4	ChEMBL_159930 (CHEMBL769655)	Tested in vitro for inhibition against Prostaglandin G/H synthase 2 in human blood (95% confidence limits)
50036881	5	ChEMBL_158935 (CHEMBL767823)	Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood
50036881	6	ChEMBL_157820 (CHEMBL769425)	Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages
50036882	1	ChEMBL_36309 (CHEMBL883286)	Ability to inhibit binding of [3H]R-1881 to rat ventral prostrate cytosolic androgen receptor was measured in a radioligand binding assay.
50036882	2	ChEMBL_52404 (CHEMBL665907)	Inhibition of [3H]-R-1881 binding to rat ventral prostrate cytosolic androgen receptor
50036882	3	ChEMBL_217563 (CHEMBL821398)	In vivo binding affinity fot cytosolic androgen receptor
50036883	1	ChEMBL_225608 (CHEMBL844165)	Time-independent inhibition of thymidylate synthase from FdUrd-resistant L1210 cells
50036883	2	ChEMBL_225609 (CHEMBL874101)	Time-independent inhibition of thymidylate synthase from parenteral L1210 cells
50036884	1	ChEMBL_27809 (CHEMBL636699)	Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 0 minutes of incubation
50036884	2	ChEMBL_41591 (CHEMBL654885)	Inhibition of butyrylcholinesterase (BChE) in human serum
50036884	3	ChEMBL_28153 (CHEMBL644108)	Inhibition of acetylcholinesterase isolated from Human erythrocytes.
50036884	4	ChEMBL_27811 (CHEMBL636701)	Compound was evaluated for the inhibition of acetylcholinesterase of bovine erythrocytes
50036884	5	ChEMBL_27810 (CHEMBL636700)	Compound was evaluated for the inhibition of acetylcholinesterase activity from bovine erythrocytes after 30 minutes of incubation
50036885	1	ChEMBL_30800 (CHEMBL645076)	Inhibition of Adenosine deaminase (ADA) of calf intestine
50036888	1	ChEMBL_3521 (CHEMBL619191)	Inhibition of [3H]5-HT reuptake in whole rat brain (minus cerebellum) homogenate.
50036888	2	ChEMBL_61840 (CHEMBL673210)	Binding affinity for rat Dopamine transporter.
50036888	3	ChEMBL_52735 (CHEMBL663153)	Inhibition of [3H]DA reuptake in rat caudate homogenate.
50036888	4	ChEMBL_3516 (CHEMBL619186)	Binding affinity for rat 5-hydroxytryptamine transporter.
50036888	5	ChEMBL_3520 (CHEMBL619190)	Inhibitory activity against [3H]- 5-hydroxytryptamine reuptake in whole rat brain minus cerebellum
50000585	1	ChEBML_1686210	Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPLC method
50000587	1	ChEBML_1686222	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells preincubated for 1 hr followed by blood stimulation measured after 18 hrs by FACS analysis
50000587	4	ChEMBL_1686222 (CHEMBL4036701)	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells preincubated for 1 hr followed by blood stimulation measured after 18 hrs by FACS analysis
50000587	3	ChEBML_1686221	Inhibition of BTK in goat F(ab')2anti-mouse IgM-stimulated Balb/c mouse splenocyte B cells assessed as suppression of BCR-mediated CD86 induction preincubated for 60 mins followed by cell stimulation measured after 24 hrs by 7AAD staining-based FACS analysis
50000587	6	ChEMBL_1686220 (CHEMBL4036699)	Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay
50000588	1	ChEMBL_1686268 (CHEMBL4036747)	Mixed type inhibition of Electric eel AChE assessed as inhibition constant using acetylthiocholine as substrate after 7 min by Ellman's method
50000588	3	ChEMBL_1686258 (CHEMBL4036737)	Inhibition of Electric eel AChE using acetylthiocholine as substrate after 7 min by Ellman's method
50000588	2	ChEBML_1686258	Inhibition of Electric eel AChE using acetylthiocholine as substrate after 7 min by Ellman's method
50000590	3	ChEMBL_1686279 (CHEMBL4036758)	Agonist activity at human Y2R expressed in CHO cell membranes assessed as [35S]GTPgammaS binding after 120 mins by liquid scintillation method
50000590	1	ChEMBL_1686278 (CHEMBL4036757)	Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation method
50000590	2	ChEBML_1686278	Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation method
50000591	6	ChEMBL_1686303 (CHEMBL4036782)	Inhibition of BCR/ABL1 (unknown origin) expressed in mouse 32D cells assessed as BCR-ABL1-mediated cell proliferation
50000591	5	ChEMBL_1686304 (CHEMBL4036783)	Inhibition of BCR/ABL1 (unknown origin) expressed in mouse Ba/F3 cells assessed as BCR-ABL1-mediated cell proliferation
50000591	1	ChEMBL_1686297 (CHEMBL4036776)	Binding affinity to catalytic site of N-terminal His6-tagged ABL (83 to 534 residues) (unknown origin) expressed in Escherichia coli co-expressing Protein Tyrosine Phosphatase 1b by NMR spectroscopy based dual-site competition assay
50000595	8	ChEMBL_1686323 (CHEMBL4036802)	Binding affinity to human A2A adenosine receptor expressed in HEK293 cells after 1 hr by fluorescence polarization assay
50000595	5	ChEMBL_1686328 (CHEMBL4036807)	Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system at 2 nM after 1 hr by fluorescence polarization assay
50000591	4	ChEBML_1686298	Inhibition of catalytic site of N-terminal His6-tagged ABL (83 to 534 residues) (unknown origin) expressed in Escherichia coli co-expressing Protein Tyrosine Phosphatase 1b using fluorescently labeled peptide by caliper mobility shift assay
50000594	1	ChEBML_1686321	Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50036890	1	ChEMBL_201819 (CHEMBL805327)	Binding affinity for serotonin transporter labeled with [125 I]RTI-55
50036890	2	ChEMBL_62463 (CHEMBL679936)	Binding affinity for dopamine transporter (DAT) labeled with [125 I]RTI-55
50036890	3	ChEMBL_140884 (CHEMBL748007)	Binding affinity for norepinephrine transporter (NET) labeled with [3H]nisoxetine
50000595	1	ChEMBL_1686325 (CHEMBL4036804)	Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system after 1 hr by fluorescence polarization assay
50000595	2	ChEBML_1686324	Binding affinity to rat A2A adenosine receptor
50000595	4	ChEMBL_1686322 (CHEMBL4036801)	Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system at 8 nM after 1 hr by fluorescence polarization assay
50036891	1	ChEMBL_45081 (CHEMBL657152)	Inhibitory activity against human recombinant carbonic anhydrase II
50036891	2	ChEMBL_45425 (CHEMBL657026)	Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes
50036891	3	ChEMBL_47517 (CHEMBL657827)	Inhibitory activity against human recombinant carbonic anhydrase I
50036892	1	ChEMBL_87390 (CHEMBL691505)	Tested for Histone deacetylase enzyme inhibition assay using Eimeria tenella extract
50000595	6	ChEMBL_1686329 (CHEMBL4036808)	Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system at 1 nM after 1 hr by fluorescence polarization assay
50000597	13	ChEMBL_1686332 (CHEMBL4036811)	Activation of KCNQ2/3 (unknown origin)
50036893	1	ChEMBL_142784 (CHEMBL752159)	Binding affinity against norepinephrine cloned human transporter using 40-80 pM [125I]RTI
50036893	2	ChEMBL_198188 (CHEMBL799116)	Binding affinity against cloned serotonin human transporter using 40-80 PM [125I]RTI
50036893	3	ChEMBL_61653 (CHEMBL670787)	Binding affinity against cloned human dopamine transporter using 40-80 pM [125I]RTI.
50036893	4	ChEMBL_142785 (CHEMBL752160)	Inhibition of reuptake of [3H]-NE (20 nM) by norepinephrine transporter
50036893	5	ChEMBL_198189 (CHEMBL799117)	Inhibition of reuptake of [3H]5-HT (20 nM) by serotonin transporter
50036893	6	ChEMBL_61673 (CHEMBL670051)	Inhibition of reuptake of [3H]DA (20 nM) by dopamine transporter
50036893	7	ChEMBL_61654 (CHEMBL670788)	Binding affinity against human cloned dopamine transporter using 40-80 pM [125I]RTI
50036893	8	ChEMBL_198187 (CHEMBL799115)	Binding affinity against human cloned serotonin transporter using 40-80 PM [125I]RTI.
50036893	9	ChEMBL_61652 (CHEMBL670176)	Binding affinity against Dopamine transporter using 40-80 pM [125I]RTI.
50036893	10	ChEMBL_197580 (CHEMBL803007)	Binding affinity against human cloned norepinephrine transporter using 40-80 pM [125I]RTI.
50000597	3	ChEMBL_1686345 (CHEMBL4036824)	Antagonist activity at human TRPA1 by calcium flux based FLIPR assay
50000595	7	ChEMBL_1686326 (CHEMBL4036805)	Binding affinity to C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system at 4 nM after 1 hr by fluorescence polarization assay
50000597	1	ChEBML_1686336	Inhibition of full length rat TRPA1 at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay
50000597	9	ChEMBL_1686352 (CHEMBL4036831)	Inhibition of rat TRPA1 at a holding potential of 15 mV measured after 1 min by whole-cell manual patch clamp electrophysiology assay
50000597	14	ChEMBL_1686334 (CHEMBL4036813)	Inhibition of full length human TRPA1 at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay
50000597	15	ChEMBL_1686346 (CHEMBL4036825)	Inhibition of human ERG
50000597	2	ChEMBL_1686338 (CHEMBL4036817)	Inhibition of full length human TRPA1 oS5 chimera at a holding potential of 15 mV measured after 1 min by PatchXpress electrophysiology assay
50000597	5	ChEBML_1686347	Inhibition of Nav1.5 (unknown origin)
50000597	6	ChEBML_1686348	Inhibition of Nav1.7 (unknown origin)
50000597	7	ChEBML_1686349	Inhibition of TRPV1 (unknown origin)
50000597	8	ChEBML_1686350	Binding affinity to SK2 (unknown origin)
50036894	1	ChEMBL_106518 (CHEMBL713022)	Effective concentration required for intracellular cAMP accumulation by Melanocortin 5 receptor
50000597	10	ChEBML_1686345	Antagonist activity at human TRPA1 by calcium flux based FLIPR assay
50036894	4	ChEMBL_106330 (CHEMBL709900)	Binding affinity for Human Melanocortin 4 receptor expressed in L-cells
50000597	12	ChEBML_1686333	Inhibition of KCNQ1 (unknown origin)
50000599	3	ChEMBL_1686385 (CHEMBL4036864)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as beta-arrestin2 recruitment by enzyme fragment complementation method
50036895	1	ChEMBL_158777 (CHEMBL772934)	Inhibitory concentration against Protease
50036895	2	ChEMBL_195962 (CHEMBL806856)	Inhibitory concentration against Renin
50036895	3	ChEMBL_105064 (CHEMBL711310)	Inhibition of matrix metalloprotease-7 (MMP-7).
50036895	4	ChEMBL_157532 (CHEMBL765009)	Binding affinity against HIV-1 protease enzyme.
50036895	5	ChEMBL_208886 (CHEMBL814943)	Binding affinity against Thrombin.
50036895	6	ChEMBL_104750 (CHEMBL715875)	Inhibition of matrix metalloprotease-3 (MMP-3).
50036895	7	ChEMBL_213067 (CHEMBL817134)	Binding affinity against Trypsin
50036895	8	ChEMBL_106141 (CHEMBL718688)	Inhibition of matrix metalloprotease-1 (MMP-1).
50036895	9	ChEMBL_208305 (CHEMBL812825)	Binding affinity against Thrombin.
50036895	10	ChEMBL_45155 (CHEMBL657349)	Inhibitory concentration against Human cathepsin D
50036895	11	ChEMBL_106448 (CHEMBL717832)	Inhibition of matrix metalloprotease-1 (MMP-1).
50036895	13	ChEMBL_36899 (CHEMBL648689)	Inhibitory activity against angiotensin I converting enzyme (ACE)
50036895	14	ChEMBL_63837 (CHEMBL674887)	Binding affinity against Elastase
50036895	15	ChEMBL_217823 (CHEMBL821730)	Inhibitory activity against calpain.
50036895	16	ChEMBL_104534 (CHEMBL718311)	Inhibition of matrix metalloprotease-2 (MMP-2).
50036895	17	ChEMBL_48989 (CHEMBL662872)	Binding affinity against Coagulation factor X
50036895	18	ChEMBL_160740 (CHEMBL769054)	Binding affinity against ritonavir-resistant strains.
50036895	19	ChEMBL_216697 (CHEMBL820309)	Inhibitory concentration against cathepsin D..
50036895	20	ChEMBL_161095 (CHEMBL771556)	Effective concentration against human rhinovirus 3C protease.
50036895	21	ChEMBL_105663 (CHEMBL718976)	Inhibition of matrix metalloprotease-9 (MMP-9).
50036895	22	ChEMBL_36513 (CHEMBL650008)	Binding affinity against aspartic protease renin.
50036895	24	ChEMBL_45189 (CHEMBL658688)	Binding affinity against aspartic proteases
50036895	25	ChEMBL_47413 (CHEMBL657290)	Inhibitory activity against cathepsin B.
50036895	26	ChEMBL_106140 (CHEMBL718687)	Inhibition of matrix metalloprotease-1 (MMP-1).
50036895	27	ChEMBL_152348 (CHEMBL757200)	Binding affinity against pancreatic kallikrein.
50036895	28	ChEMBL_160977 (CHEMBL769318)	Inhibitory concentration against prothrombin
50036895	29	ChEMBL_90981 (CHEMBL696528)	The binding affinity against IL-1 beta converting enzyme
50036895	30	ChEMBL_64982 (CHEMBL675567)	Inhibitory activity against neutral Endopeptidase
50036895	31	ChEMBL_63838 (CHEMBL674888)	Binding affinity against Elastase.
50036895	32	ChEMBL_158778 (CHEMBL873422)	Binding affinity against Protease
50036895	34	ChEMBL_64835 (CHEMBL678414)	Binding affinity against Elastase.
50036895	35	ChEMBL_216695 (CHEMBL820307)	Binding affinity against cathepsin D
50036895	36	ChEMBL_48981 (CHEMBL663511)	Inhibitory concentration against Coagulation factor X
50036895	40	ChEMBL_46671 (CHEMBL658630)	Inhibitory activity against caspase-3.
50036895	41	ChEMBL_90858 (CHEMBL699294)	Inhibitory activity against IL-1 beta converting enzyme
50036895	42	ChEMBL_43859 (CHEMBL658520)	Inhibitory activity against Calpain 2
50036895	43	ChEMBL_45188 (CHEMBL658687)	Inhibitory concentration against cathepsin D
50036895	44	ChEMBL_159133 (CHEMBL769510)	Binding affinity against HIV-protease
50036895	46	ChEMBL_216709 (CHEMBL818674)	Inhibitory activity against cathepsin L, lysosomal cysteine protease
50036895	47	ChEMBL_159135 (CHEMBL873421)	Binding affinity against HIV-1 protease. 
50036895	48	ChEMBL_223311 (CHEMBL846938)	Inhibitory concentration against porcine pepsin
50036895	49	ChEMBL_161241 (CHEMBL768648)	The binding affinity against Protease 3C
50036895	50	ChEMBL_154908 (CHEMBL873412)	Binding affinity against plasma thrombin
50036895	52	ChEMBL_161230 (CHEMBL764325)	The effective concentration against Protease 3C
50036895	53	ChEMBL_217824 (CHEMBL821731)	The binding affinity against calpain.
50036895	54	ChEMBL_64140 (CHEMBL675304)	The in vitro potency against elastase.
50036895	55	ChEMBL_222767 (CHEMBL847098)	Inhibitory concentration against human plasma renin at pH 6.
50036895	56	ChEMBL_161096 (CHEMBL771557)	Effective concentration against human rhinovirus-14 3C.
50036895	57	ChEMBL_106612 (CHEMBL717449)	Inhibition of matrix metalloprotease-13 (MMP-13).
50036895	58	ChEMBL_207989 (CHEMBL816072)	Inhibition against platelet aggregation without interacting directly with the nucleophilic serine of thrombin.
50036895	59	ChEMBL_105052 (CHEMBL711566)	Inhibition of matrix metalloprotease-7 (MMP-7).
50036895	60	ChEMBL_154912 (CHEMBL764687)	Inhibitory concentration for Plasmodium falciparum plasmepsin-1.
50036895	61	ChEMBL_160904 (CHEMBL771800)	The binding affinity against HRV-143C protease.
50000598	1	ChEBML_1686374	Agonist activity at CB1 receptor (unknown origin) expressed in CHO cells co-expressing G-alpha16 incubated for 24 hrs by fluo-4 AM dye based whole-cell calcium mobilization assay
50036895	23	ChEMBL_64981 (CHEMBL675566)	Inhibitory activity against Endopeptidase
50036895	63	ChEMBL_105389 (CHEMBL710808)	Inhibition of matrix metalloprotease-9 (MMP-9).
50036895	64	ChEMBL_154917 (CHEMBL878422)	Inhibitory concentration for Plasmodium falciparum plasmepsin-2. 
50036895	65	ChEMBL_104719 (CHEMBL710129)	Inhibition of matrix metalloprotease-3 (MMP-3).
50036895	66	ChEMBL_105036 (CHEMBL711550)	Inhibition of matrix metalloprotease-7 (MMP-7).
50036895	68	ChEMBL_213068 (CHEMBL817135)	Binding affinity against trypsin.
50036895	69	ChEMBL_196434 (CHEMBL800436)	Inhibitory concentration against renin..
50036895	70	ChEMBL_105815 (CHEMBL717815)	Inhibition of matrix metalloprotease-8 (MMP-8).
50036895	71	ChEMBL_63799 (CHEMBL679051)	Inhibitory concentration against elastase
50036895	72	ChEMBL_105975 (CHEMBL713988)	Inhibition of matrix metalloprotease-1 (MMP-1).
50036895	73	ChEMBL_36904 (CHEMBL649540)	Inhibitory activity against angiotensin I converting enzyme (ACE)
50036895	75	ChEMBL_216708 (CHEMBL820320)	Inhibitory activity against cathepsin L
50036895	76	ChEMBL_64141 (CHEMBL675305)	oral activity of the compound
50036895	77	ChEMBL_222772 (CHEMBL884895)	Binding affinity for plasmepsin-2.
50036895	78	ChEMBL_45158 (CHEMBL657352)	Inhibitory concentration against human cathepsin D.
50036895	79	ChEMBL_104374 (CHEMBL715835)	Inhibition of matrix metalloprotease-2 (MMP-2).
50036895	80	ChEMBL_196433 (CHEMBL878013)	Inhibitory concentration against renin.
50036895	81	ChEMBL_157262 (CHEMBL765462)	Binding affinity against plasma kallikrein.
50036895	82	ChEMBL_45182 (CHEMBL658681)	Inhibitory concentration against Human cathepsin D.
50036895	83	ChEMBL_6962 (CHEMBL618671)	Inhibitory activity against angiotensin-converting enzyme (ACE).
50036895	84	ChEMBL_158051 (CHEMBL772758)	Binding affinity against HIV-2 protease enzyme.
50036895	85	ChEMBL_69532 (CHEMBL680621)	Binding affinity against factor C1r.
50036895	86	ChEMBL_208913 (CHEMBL814968)	Inhibition against clot-associated thrombin.
50036895	87	ChEMBL_212751 (CHEMBL820593)	Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) with respect to matrix metalloprotease-1 (MMP-1).
50036895	88	ChEMBL_212176 (CHEMBL815151)	Binding affinity against Trypsin.
50036895	89	ChEMBL_105808 (CHEMBL717808)	Inhibition of matrix metalloprotease-8 (MMP-8).
50036895	90	ChEMBL_157531 (CHEMBL765008)	Binding affinity against HIV-1 protease. 
50036895	91	ChEMBL_105240 (CHEMBL872676)	Inhibition of matrix metalloprotease-9 (MMP-9).
50036895	92	ChEMBL_195930 (CHEMBL803286)	Inhibition activity against human plasma renin at pH=7.4.
50036895	93	ChEMBL_47412 (CHEMBL657289)	Inhibitory activity against Cathepsin B
50036895	94	ChEMBL_208875 (CHEMBL814933)	Inhibitory concentration against thrombin
50036895	95	ChEMBL_43844 (CHEMBL658506)	Inhibitory activity against Calpain 1 in platelets.
50036895	96	ChEMBL_222783 (CHEMBL884896)	Inhibitory concentration against plasmin
50036895	97	ChEMBL_45156 (CHEMBL657350)	Inhibitory concentration against cathepsin
50036896	2	ChEMBL_145955 (CHEMBL752204)	Binding affinity against Opioid receptor kappa 1
50036896	3	ChEMBL_148092 (CHEMBL751574)	Binding affinity against Opioid receptor mu 1
50036897	1	ChEMBL_70747 (CHEMBL681607)	In vitro inhibition of Farnesyltransferase (FT) by using FT [3H]-SPA kit.
50000598	2	ChEBML_1686375	Agonist activity at CB2 receptor (unknown origin) expressed in CHO cells co-expressing G-alpha16 incubated for 24 hrs by fluo-4 AM dye based whole-cell calcium mobilization assay
50036899	1	ChEMBL_50978 (CHEMBL663521)	Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1
50036900	1	ChEMBL_140876 (CHEMBL752507)	In vitro inhibition of rat neutral endopeptidase
50036900	2	ChEMBL_225950 (CHEMBL843957)	In Vitro inhibition of recombinant human endothelin converting enzyme-1
50036901	1	ChEMBL_147314 (CHEMBL755707)	Binding affinity was determined by displacement of [3H]- DSLET at Opioid receptor delta 1 in rat brain membrane homogenates
50036901	2	ChEMBL_148528 (CHEMBL755189)	Binding affinity was determined by displacement of [3H]- DAMGO at Opioid receptor mu 1 in rat brain membrane homogenates
50036901	3	ChEMBL_205716 (CHEMBL807962)	Compound was tested for delta antagonist activity against tachykinin NK-1.Tachykinin receptor 1
50036901	4	ChEMBL_205715 (CHEMBL873262)	Compound was tested for delta antagonist activity against Tachykinin receptor 1
50036902	1	ChEMBL_211948 (CHEMBL816538)	Inhibition potency against Cholecystokinin-8-Inactivating Peptidase (Serine Peptidase).
50036902	2	ChEMBL_211947 (CHEMBL816537)	Inhibition potency against Cholecystokinin-8-Inactivating Peptidase (Serine Peptidase).
50036903	1	ChEMBL_155180 (CHEMBL761827)	Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae
50036903	2	ChEMBL_155033 (CHEMBL765475)	Inhibitory activity against Phosphodiesterase 4A (PDE4A) from human source expressed in Saccharomyces cerevisiae
50036903	4	ChEMBL_155176 (CHEMBL761823)	Inhibitory activity against Phosphodiesterase 4C (PDE4C) from human source expressed in Saccharomyces cerevisiae
50036903	5	ChEMBL_155173 (CHEMBL761911)	Inhibitory activity against Phosphodiesterase 4B (PDE4B) from rat source expressed in Saccharomyces cerevisiae
50036904	1	ChEMBL_86312 (CHEMBL696464)	Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay
50036905	1	ChEMBL_96941 (CHEMBL879999)	Inhibitory activity was determined against Leukotriene A4 hydrolase
50036905	2	ChEMBL_220427 (CHEMBL841667)	Inhibitory activity was determined for LTB4 production in human whole blood.
50036906	1	ChEMBL_61476 (CHEMBL672527)	Binding affinity on High Affinity Site of Dopamine receptor D2L
50036906	2	ChEMBL_39950 (CHEMBL653232)	Binding Affinity was tested on High Affinity Site of Bovine Dopamine D1 Receptor. Tested for ability to displace the radioligand [3H]-SCH- 23390
50036906	3	ChEMBL_61478 (CHEMBL672529)	Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L
50036906	4	ChEMBL_61805 (CHEMBL670558)	Binding Affinity on High Affinity Site of Dopamine receptor D2S
50036906	7	ChEMBL_60350 (CHEMBL671939)	Binding Affinity was determined for its ability to displace the radioligand [3H]spiperone from Bovine dopamine receptor D1.
50036906	8	ChEMBL_62118 (CHEMBL879553)	Binding Affinity was tested on the high affinity site of Dopamine receptor D3
50036906	9	ChEMBL_61477 (CHEMBL672528)	Binding Affinity was tested on low Affinity Site of Dopamine receptor D2L
50036906	10	ChEMBL_59471 (CHEMBL671724)	Binding Affinity was tested on low Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	11	ChEMBL_62117 (CHEMBL674995)	Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D3
50036906	13	ChEMBL_61175 (CHEMBL670990)	Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4
50036906	14	ChEMBL_60322 (CHEMBL675187)	Binding Affinity was tested for its ability to displace the radioligand [3H]-SCH- 23390 from High Affinity Site of Bovine dopamine receptor D1
50036906	15	ChEMBL_61806 (CHEMBL872880)	Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S
50036906	16	ChEMBL_61188 (CHEMBL674257)	Dissociation constant of compound on one-site model Dopamine receptor D4.4
50036906	17	ChEMBL_62120 (CHEMBL673441)	Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D3
50036906	18	ChEMBL_59466 (CHEMBL671719)	Binding Affinity on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole was tested
50036906	19	ChEMBL_60324 (CHEMBL675086)	Binding Affinity was tested on High Affinity Site of Bovine dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390
50036906	20	ChEMBL_61804 (CHEMBL670557)	Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D2S
50036906	21	ChEMBL_62119 (CHEMBL674996)	Binding Affinity was tested on low Affinity Site of Dopamine receptor D3
50036906	22	ChEMBL_61177 (CHEMBL872781)	Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D4.4
50036906	25	ChEMBL_39952 (CHEMBL653234)	Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]-Spiperone
50036906	26	ChEMBL_59481 (CHEMBL671441)	Dissociation constant of compound on one-site model Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	27	ChEMBL_39951 (CHEMBL653233)	Binding Affinity was tested on low Affinity Site of Bovine Dopamine D1 Receptor. Tested for ability to displace the radioligand [3H]-SCH- 23390 at the binding site.
50036906	28	ChEMBL_59473 (CHEMBL671726)	Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	29	ChEMBL_62286 (CHEMBL675056)	Dissociation constant of compound on one-site model Dopamine receptor D3
50036906	31	ChEMBL_61479 (CHEMBL672381)	Binding Affinity was tested on High Affinity Site of Dopamine receptor D2L
50036906	32	ChEMBL_39953 (CHEMBL653235)	Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]spiperone was tested
50036906	33	ChEMBL_61803 (CHEMBL670556)	Binding Affinity of Compound of Dopamine receptor D2S
50036906	34	ChEMBL_60349 (CHEMBL671938)	Binding Affinity was tested on High Affinity Site of Bovine dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390
50036906	35	ChEMBL_61475 (CHEMBL672526)	Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D2L
50036906	36	ChEMBL_61619 (CHEMBL673075)	Dissociation constant of compound on one-site model Dopamine receptor D2L
50036906	37	ChEMBL_61817 (CHEMBL672581)	Dissociation constant of compound on one-site model Dopamine receptor D2S
50036906	38	ChEMBL_59467 (CHEMBL671720)	Binding Affinity was determined for decoupling of the ternary complex of Compound to Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	39	ChEMBL_62287 (CHEMBL675057)	Dissociation constant of compound on one-site model Human Dopamine receptor D3
50036906	40	ChEMBL_59470 (CHEMBL671723)	Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole at the binding site.
50036906	41	ChEMBL_60325 (CHEMBL675087)	Binding Affinity was tested on relative proportion of High Affinity Site of Bovine dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390 at the binding site.
50036906	42	ChEMBL_59472 (CHEMBL671725)	Binding Affinity was tested on relative proportion of high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]-Spiperone at the binding site.
50036906	43	ChEMBL_61466 (CHEMBL671447)	Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2L
50036906	44	ChEMBL_61176 (CHEMBL670991)	Binding Affinity was tested on low Affinity Site of Dopamine receptor D4.4
50036906	47	ChEMBL_59468 (CHEMBL671721)	Binding Affinity was determined for its ability to displace the radioligand [3H]spiperone from low Affinity Site of Bovine dopamine receptor D2.
50036906	48	ChEMBL_60321 (CHEMBL675186)	Binding Affinity was determined for its ability to displace the radioligand [3H]-SCH- 23390 from Bovine dopamine receptor D1
50036906	49	ChEMBL_61174 (CHEMBL670989)	Binding Affinity was determined in the presence of 100 micro M Gpp(NH)p for decoupling of the ternary complex of Compound to Dopamine receptor D4.4
50036906	50	ChEMBL_60199 (CHEMBL672161)	Binding Affinity was determined for decoupling of the ternary complex of Compound to Bovine dopamine receptor D1. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	51	ChEMBL_59165 (CHEMBL672629)	Dissociation constant of compound on one-site model Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]spiperone at the binding site.
50036906	52	ChEMBL_60323 (CHEMBL675188)	Binding Affinity was tested on High Affinity Site of Bovine Dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390
50036906	53	ChEMBL_59469 (CHEMBL671722)	Binding Affinity was tested on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole
50036906	56	ChEMBL_61807 (CHEMBL672954)	Binding Affinity was tested on High Affinity Site of Dopamine receptor D2S
50036907	1	ChEMBL_222620 (CHEMBL846295)	Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythrocyte ghosts
50036907	2	ChEMBL_147720 (CHEMBL759190)	In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts
50036908	1	ChEMBL_143309 (CHEMBL753011)	Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2A) Receptor subtype.
50036908	2	ChEMBL_61595 (CHEMBL675767)	Inhibition of [3H]-raclopride binding at Dopamine receptor D2 in rat brain membranes.
50036908	3	ChEMBL_143327 (CHEMBL752245)	Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2C) Receptor subtype.
50036908	4	ChEMBL_143318 (CHEMBL753020)	Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate (NR1A/2B) Receptor subtype.
50036909	1	ChEMBL_105265 (CHEMBL872558)	Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assay
50036909	2	ChEMBL_105101 (CHEMBL715945)	Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assay
50036910	1	ChEMBL_31330 (CHEMBL644883)	Inhibitory Activity against Human recombinant Aldose Reductase (wild type)
50036911	1	ChEMBL_105711 (CHEMBL719078)	Compound is tested for displacement of [3H]pirenzepine at Metabotropic glutamate receptor 1 in Rat brain homogenate.
50036911	2	ChEMBL_138951 (CHEMBL745931)	Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.
50036911	3	ChEMBL_62493 (CHEMBL677550)	Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen
50036912	1	ChEMBL_221316 (CHEMBL841206)	Inhibition of p56 Lck SH2-domain in ELISA
50036912	2	ChEMBL_221508 (CHEMBL841491)	Binding affinity for p56 Lck tyrosine kinase SH2 domain and Ac-pTyr-Glu-Glu-Ile-amide.
50036913	1	ChEMBL_142640 (CHEMBL746908)	Inhibition of [3H]NE uptake by Norepinephrine transporter of rat occipital cortex synaptosomes
50036913	3	ChEMBL_201977 (CHEMBL808598)	Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes
50036913	2	ChEMBL_216122 (CHEMBL816695)	Inhibition of [3H]DA uptake by dopamine transporter of rat striata synaptosomes
50000599	2	ChEMBL_1686384 (CHEMBL4036863)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50036913	4	ChEMBL_142639 (CHEMBL746907)	Inhibition of [3H]NE uptake by Norepinephrine transporter of rat occipital cortex synaptosomes
50036913	5	ChEMBL_201978 (CHEMBL808599)	Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes
50000600	6	ChEMBL_1686395 (CHEMBL4036874)	Inhibition of phosphorylated ERK2 (unknown origin) using myelin basic protein as substrate after 2 hrs in presence of ATP by ADP-glo assay
50000602	4	ChEMBL_1686410 (CHEMBL4036889)	Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR assay
50036914	1	ChEMBL_216595 (CHEMBL821386)	Binding affinity towards Wild-type kappa opioid receptor expressed in HEK cells
50036914	3	ChEMBL_62669 (CHEMBL679842)	Binding constant against E203Q,D204N,D206N,E209Q EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells
50036914	4	ChEMBL_52587 (CHEMBL663515)	Binding constant against D216N,D217N,E218Q EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells
50036914	6	ChEMBL_52585 (CHEMBL666530)	Effective concentration to inhibit D216,ND217N,E218Q KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells
50036914	7	ChEMBL_52586 (CHEMBL666531)	Dissociation constant against D216N,D217N,E218Q EL-2 Opioid receptor kappa 1 expressed in HEK cells
50036914	8	ChEMBL_62667 (CHEMBL679840)	Effective concentration to inhibit E203Q,D204N,D206N KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells
50036914	9	ChEMBL_62666 (CHEMBL679839)	Binding constant against E203Q,D204N,D206N EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells
50000599	1	ChEBML_1686384	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50036914	10	ChEMBL_145703 (CHEMBL753911)	Dissociation constant against wild type EL-2 Opioid receptor kappa 1 expressed in HEK cells
50036914	2	ChEMBL_145822 (CHEMBL753683)	Binding constant against wild type EL-2 Opioid receptor kappa 1 using [3H]diprenorphine as radioligand expressed in HEK cells
50000600	1	ChEMBL_1686399 (CHEMBL4036878)	Binding affinity to full length wild type human ERK2 (M1 to P379 residues) expressed in bacterial expression system by KINOMEscan assay
50036914	11	ChEMBL_145689 (CHEMBL753315)	Effective concentration to inhibit wild type KL-2 Opioid receptor kappa 1 binding to [35S]GTP-gamma-S, expressed in COS cells
50036914	12	ChEMBL_145983 (CHEMBL750577)	Binding affinity towards k-opioid receptor k-EL-2 mutant (wild-type) expressed in HEK cells
50036914	13	ChEMBL_62668 (CHEMBL679841)	Dissociation constant against E203Q,D204N,D206N,E209Q EL-2 Opioid receptor kappa 1 expressed in HEK cells
50036914	14	ChEMBL_62665 (CHEMBL679838)	Dissociation constant against E203Q,D204N,D206N EL-2 Opioid receptor kappa 1 expressed in HEK cells
50000600	2	ChEMBL_1686396 (CHEMBL4036875)	Binding affinity to C-terminal FLAG-tagged human ERK2 expressed in Escherichia coli (DE3) after 30 mins by fluorescence polarization assay
50000600	3	ChEMBL_1686394 (CHEMBL4036873)	Binding affinity to non-phosphorylated full length N-terminal His6-tagged/SUMO-fused ERK2 (1 to 360 residues) (unknown origin) by isothermal titration method
50036915	1	ChEMBL_160747 (CHEMBL769061)	binding affinity towards HIV-1 Protease enzyme
50036916	1	ChEMBL_145260 (CHEMBL751038)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1
50036916	2	ChEMBL_146107 (CHEMBL883401)	Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay
50036916	3	ChEMBL_148233 (CHEMBL753393)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1
50000600	4	ChEBML_1686394	Binding affinity to non-phosphorylated full length N-terminal His6-tagged/SUMO-fused ERK2 (1 to 360 residues) (unknown origin) by isothermal titration method
50036916	5	ChEMBL_145260 (CHEMBL751038)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1
50036916	7	ChEMBL_145015 (CHEMBL753711)	Effective concentration required to stimulate binding of GTPgammaS to ORL1 receptor was determined using scintillation proximity assay
50036916	8	ChEMBL_148232 (CHEMBL753392)	Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor mu 1
50000600	5	ChEBML_1686406	Binding affinity to full length wild type human GSK3beta (M1 to T433 residues) expressed in mammalian expression system by KINOMEscan assay
50036916	9	ChEMBL_219822 (CHEMBL842232)	Effective concentration of the required to stimulate binding of GTPgammaS to mu1 receptor was determined using scintillation proximity assay
50036916	10	ChEMBL_219821 (CHEMBL842231)	Effective concentration of the required to stimulate binding of GTPgammaS to human mu1 receptor was determined using scintillation proximity assay
50000602	5	ChEMBL_1686408 (CHEMBL4036887)	Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GDP by SPR assay
50000602	1	ChEMBL_1686412 (CHEMBL4036891)	Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR assay
50000602	3	ChEMBL_1686411 (CHEMBL4036890)	Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR assay
50000604	1	ChEBML_1686452	Inhibition of recombinant myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual-luciferase reporter gene assay
50000605	1	ChEBML_1686497	Competitive inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50000606	1	ChEMBL_1686569 (CHEMBL4037048)	Inhibition of full length 6His-tagged HDAC8 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50000606	2	ChEBML_1686564	Inhibition of human recombinant N-terminal GST-tagged HDAC7 expressed in baculovirus infected insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50000606	3	ChEMBL_1686562 (CHEMBL4037041)	Inhibition of human recombinant N-terminal GST-tagged/C-terminal His-tagged HDAC4 expressed in baculovirus infected insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50000606	4	ChEMBL_1686565 (CHEMBL4037044)	Inhibition of HDAC8 (unknown origin) preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50000606	5	ChEMBL_1686560 (CHEMBL4037039)	Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50000606	6	ChEMBL_1686554 (CHEMBL4037033)	Inhibition of human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells after 1 hr in presence of acetylated lysine substrate by fluorescence assay
50000606	44	ChEMBL_1686551 (CHEMBL4037030)	Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 insect cells preincubated for 3 hrs followed by fluorophore conjugated MAZ1600 substrate addition measured every 5 mins by fluorescence assay
50000606	8	ChEMBL_1686549 (CHEMBL4037028)	Inhibition of human full length C-terminal His/FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells preincubated for 3 hrs followed by fluorophore conjugated MAZ1600 substrate addition measured every 5 mins by fluorescence assay
50000606	9	ChEMBL_1686558 (CHEMBL4037037)	Inhibition of HDAC8 (unknown origin)
50000606	10	ChEMBL_1686567 (CHEMBL4037046)	Inhibition of HDAC3 (unknown origin)
50000606	42	ChEMBL_1686561 (CHEMBL4037040)	Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 co-expressed in baculovirus infected Sf9 insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50000606	12	ChEMBL_1686580 (CHEMBL4037059)	Inhibition of HDAC10 (unknown origin)
50000606	13	ChEMBL_1686534 (CHEMBL4037013)	Inhibition of HDAC1 (unknown origin)
50000606	14	ChEMBL_1686595 (CHEMBL4037074)	Inhibition of human HDAC4 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by liquid scintillation counter method
50000606	15	ChEMBL_1686588 (CHEMBL4037067)	Inhibition of HDAC10 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000606	16	ChEMBL_1686584 (CHEMBL4037063)	Inhibition of HDAC2 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50036917	1	ChEMBL_28885 (CHEMBL646583)	Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate.
50036917	2	ChEMBL_140761 (CHEMBL748035)	Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.
50036917	3	ChEMBL_35385 (CHEMBL647301)	inhibitory activity on angiotensin I converting enzyme (ACE) using cbz-Phe-His-Leu as substrate.
50000606	17	ChEMBL_1686577 (CHEMBL4037056)	Inhibition of human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 insect cells by fluorescence assay
50036918	3	ChEMBL_68582 (CHEMBL679669)	Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50000606	18	ChEBML_1686570	Inhibition of C-terminal 6His-tagged HDAC10 (unknown origin) (632 to 669 residues) expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50000606	19	ChEMBL_1686568 (CHEMBL4037047)	Inhibition of full length 6His-tagged HDAC6 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50036918	6	ChEMBL_68586 (CHEMBL679759)	Partial agonist activity against homomeric rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50000606	20	ChEMBL_1686529 (CHEMBL4037008)	Inhibition of full length 6His-tagged HDAC2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50036918	10	ChEMBL_68701 (CHEMBL682632)	Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	11	ChEMBL_68585 (CHEMBL679758)	Full agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	12	ChEMBL_68577 (CHEMBL679664)	Activation of human rho2 GABA-C receptor at 34% of maximal GABA-induced response
50036918	13	ChEMBL_68703 (CHEMBL682634)	Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xenopus oocytes, low intrinsic activity (Im 3%)
50000606	21	ChEBML_1686563	Inhibition of human recombinant C-terminal His-tagged HDAC5 expressed in baculovirus infected insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50036918	15	ChEMBL_68582 (CHEMBL679669)	Partial agonist activity against human rho-1 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	16	ChEMBL_68581 (CHEMBL679668)	Partial agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	18	ChEMBL_68579 (CHEMBL679666)	Partial agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	19	ChEMBL_68700 (CHEMBL681020)	Partial agonist activity against homomeric rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50036918	21	ChEMBL_68581 (CHEMBL679668)	Partial agonist activity against human rho-2 subunit GABA-C receptor expressed in Xenopus oocytes
50000606	43	ChEMBL_1686528 (CHEMBL4037007)	Inhibition of full length 6His-tagged HDAC3 (unknown origin)/SMRT (395 to 489 residues) (unknown origin) co-expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50036919	1	ChEMBL_199877 (CHEMBL803778)	Evaluated for the inhibitory activity against Selectin E
50036920	1	ChEMBL_145421 (CHEMBL747232)	Binding affinity using [3H]diprenorphine as the radioligand against E297A mutant Opioid receptor kappa 1 in COS-7 cells
50036920	2	ChEMBL_148370 (CHEMBL873929)	Binding affinity using [3H]diprenorphine as the radioligand against K303E Opioid receptor mu 1 in COS-7 cells
50036920	3	ChEMBL_145424 (CHEMBL872672)	Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1r in COS-7 cells
50036920	4	ChEMBL_145423 (CHEMBL747234)	Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor kappa 1 in COS-7 cells
50036920	5	ChEMBL_145422 (CHEMBL747233)	Binding affinity using [3H]diprenorphine as the radioligand against E297K mutant Opioid receptor kappa 1 in COS-7 cells
50036920	6	ChEMBL_148371 (CHEMBL757366)	Binding affinity using [3H]diprenorphine as the radioligand against wild-type Opioid receptor mu 1 in COS-7 cells
50036921	1	ChEMBL_220717 (CHEMBL843662)	Activity of peptidic agonists on h-CRF2-alpha receptor using agonist-stimulated adenylate cyclase assay
50036921	2	ChEMBL_217363 (CHEMBL872801)	Inhibition of corticotropin releasing factor receptor mediated increase in cAMP level using HEK293 cells expressing h-CRF1 receptor
50000606	22	ChEMBL_1686559 (CHEMBL4037038)	Inhibition of human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells preincubated for 2 hrs followed by Fluor-de-Lys substrate addition measured after 30 mins by fluorescence assay
50036921	4	ChEMBL_220718 (CHEMBL881337)	Binding affinity of the receptor h-CRF2-alpha with peptidic agonists
50036921	5	ChEMBL_50956 (CHEMBL666038)	Compound was tested for the binding affinity to human corticotropin releasing factor receptor
50000606	23	ChEMBL_1686550 (CHEMBL4037029)	Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells preincubated for 3 hrs followed by fluorophore conjugated MAZ1600 substrate addition measured every 5 mins by fluorescence assay
50036921	7	ChEMBL_220725 (CHEMBL844231)	Antagonist potency in hCRF1 stimulated adenylate cyclase assay
50036921	8	ChEMBL_220730 (CHEMBL843421)	Inhibition of binding of the radioligand, [125 I-Tyr0]-CRF to rat cerebral cortex membrane
50036921	9	ChEMBL_217365 (CHEMBL822877)	Binding affinity of the receptor corticotropin releasing factor receptor with peptidic agonists
50036921	10	ChEMBL_220727 (CHEMBL843419)	Compound was tested for the binding affinity to human corticotropin releasing factor 1 (hCRF1) receptors.
50036921	11	ChEMBL_220726 (CHEMBL843418)	Compound was tested for the binding affinity to human corticotropin releasing factor 1 (hCRF1) receptors
50000606	24	ChEMBL_1686579 (CHEMBL4037058)	Inhibition of HDAC6 (unknown origin)
50000606	25	ChEMBL_1686533 (CHEMBL4037012)	Inhibition of HDAC2 (unknown origin)
50036921	14	ChEMBL_220728 (CHEMBL843420)	Compound was tested for the binding affinity to human corticotropin releasing factor 1 (hCRF1) receptors.
50036921	15	ChEMBL_217361 (CHEMBL822874)	Activity of peptidic agonists on corticotropin releasing factor receptor using agonist-stimulated adenylate cyclase assay
50000606	26	ChEMBL_1686594 (CHEMBL4037073)	Inhibition of human HDAC2 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by liquid scintillation counter method
50036921	16	ChEMBL_50958 (CHEMBL666040)	Compound was tested for the binding affinity to human corticotropin releasing factor receptor (hCRF2)
50036921	17	ChEMBL_217362 (CHEMBL822875)	Inhibition of corticotropin releasing factor receptor mediated increase in adenylate cyclase activity was evaluated
50036921	18	ChEMBL_220731 (CHEMBL843422)	binding affinity for human CRF1 receptor in IMR32 neuroblastoma cells
50000606	27	ChEMBL_1686593 (CHEMBL4037072)	Inhibition of human HDAC1 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by liquid scintillation counter method
50000606	28	ChEBML_1686558	Inhibition of HDAC8 (unknown origin)
50036921	21	ChEMBL_50957 (CHEMBL666039)	Compound was tested for the inhibition of binding of the radioligand, [125 I-Tyr0]-CRF to rat cerebral cortex membrane
50036921	22	ChEMBL_220729 (CHEMBL874097)	Compound was tested for the inhibition of binding of the radioligand, [125 I-Tyr0]-CRF to rat cerebral cortex membrane
50000606	29	ChEMBL_1686583 (CHEMBL4037062)	Inhibition of HDAC1 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000606	30	ChEMBL_1686578 (CHEMBL4037057)	Inhibition of human recombinant N-terminal His-ABP-tagged HDAC6 expressed in Escherichia coli by fluorescence assay
50036921	24	ChEMBL_217366 (CHEMBL822878)	Compound was tested for the binding affinity to human corticotropin releasing factor receptor
50000606	45	ChEMBL_1686576 (CHEMBL4037055)	Inhibition of human recombinant HDAC3/NCOR1 co-expressed in insect cells by fluorescence assay
50036921	26	ChEMBL_50954 (CHEMBL666036)	Effective concentration to stimulate the human corticotropin releasing factor receptor using agonist-stimulated adenylate cyclase assay
50000606	46	ChEMBL_1686556 (CHEMBL4037035)	Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 co-expressed in baculovirus infected Sf9 insect cells after 1 hr in presence of acetylated lysine substrate by fluorescence assay
50036921	27	ChEMBL_217364 (CHEMBL822876)	Inhibition of corticotropin releasing factor receptor mediated increase in cAMP level using rat cortical homogenates in vitro.
50000606	33	ChEBML_1686577	Inhibition of human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 insect cells by fluorescence assay
50000606	34	ChEMBL_1686530 (CHEMBL4037009)	Inhibition of full length 6His-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 17 hrs in presence of FAM-labeled acetylated peptide substrate by fluorescence assay
50000606	35	ChEBML_1686555	Inhibition of human full length C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells after 1 hr in presence of acetylated lysine substrate by fluorescence assay
50000606	36	ChEBML_1686581	Inhibition of HDAC11 (unknown origin)
50000606	37	ChEMBL_1686596 (CHEMBL4037075)	Inhibition of human HDAC6 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by liquid scintillation counter method
50000606	38	ChEBML_1686567	Inhibition of HDAC3 (unknown origin)
50000606	40	ChEBML_1686578	Inhibition of human recombinant N-terminal His-ABP-tagged HDAC6 expressed in Escherichia coli by fluorescence assay
50000606	41	ChEBML_1686534	Inhibition of HDAC1 (unknown origin)
50000609	1	ChEBML_1686642	Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry
50000609	2	ChEBML_1686641	Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry
50036922	1	ChEMBL_202730 (CHEMBL809058)	Binding affinity against Sodium/glucose co-transporter of isolated renal brush border membranes.
50000609	3	ChEBML_1686640	Agonist activity at human 5-HT2C receptor expressed in mouse NIH/3T3 cells assessed as induction of IP3 formation after 0.5 hrs
50000609	31	ChEMBL_1686634 (CHEMBL4037113)	Inhibition of GP2b/3a in human platelet-rich plasma assessed as reduction in collagen-induced platelet aggregation preincubated for 1 min followed by collagen addition by aggregometric analysis
50000609	19	ChEBML_1686613	Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50036923	1	ChEMBL_208135 (CHEMBL816447)	In vitro for the inhibition of thrombin
50036924	1	ChEMBL_70921 (CHEMBL683739)	In vitro receptor binding affinity (95% CL) using rat liver plasma membrane bioassay
50036924	2	ChEMBL_73011 (CHEMBL681690)	In vitro receptor binding affinity (95% CL) using rat liver plasma membrane bioassay
50036925	1	ChEMBL_154349 (CHEMBL759111)	50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay
50036925	2	ChEMBL_220732 (CHEMBL843423)	50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay
50036926	1	ChEMBL_212684 (CHEMBL815469)	Inhibitory activity against human trypsin (using Chromozym TH as the substrate)
50036926	2	ChEMBL_208502 (CHEMBL879102)	Inhibitory activity against human thrombin (using Chromozym TH as the substrate)
50000609	7	ChEBML_1686625	Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPH
50000609	17	ChEBML_1686643	Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50000609	12	ChEBML_1686648	Agonist activity at RARgamma (unknown origin)
50000609	11	ChEBML_1686645	Inhibition of MMP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50000609	9	ChEBML_1686646	Agonist activity at RARaplha (unknown origin)
50000609	13	ChEBML_1686647	Agonist activity at RARbeta (unknown origin)
50000609	14	ChEBML_1686620	Agonist activity at RXRgamma (unknown origin)
50000609	18	ChEBML_1686609	Inhibition of human erythrocyte AChE
50000609	30	ChEMBL_1686635 (CHEMBL4037114)	Inhibition of human GP2b/3a interaction with human fibrinogen after 3 hrs by ELISA
50000609	20	ChEBML_1686612	Antagonist activity at human GST-tagged IGF-1R (950 to 133 residues) expressed in baculovirus after 5 mins in presence of [gamma33P]-ATP by top count method
50000609	8	ChEBML_1686624	Binding affinity to 5-HT2A (unknown origin)
50000609	27	ChEBML_1686641	Inhibition of human plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry
50000609	25	ChEBML_1686618	Agonist activity at RXRaplha (unknown origin)
50000609	28	ChEBML_1686625	Inhibition of HMG-CoA reductase (unknown origin) using [14C]-HMG-CoA as substrate after 5 mins in presence of NADPH
50000609	21	ChEBML_1686615	Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50000609	23	ChEBML_1686616	Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50000609	22	ChEBML_1686614	Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrin
50000609	29	ChEBML_1686642	Inhibition of bovine plasma thrombin using chromogenix AB as substrate after 30 secs by UV-spectrophotometry
50036927	14	ChEMBL_145583 (CHEMBL749728)	EC50 for binding of [35S]- GTPdeltaS in cloned human opioid mu receptor transfected onto CHO cells
50000609	15	ChEBML_1686622	Displacement of [3H]methylspiperone from human D2 receptor expressed in HEK cells
50036927	16	ChEMBL_145582 (CHEMBL749727)	EC50 for binding of [35S]- GTPdeltaS in cloned human oOpioid receptor mu 1 (DAMGO) transfected onto CHO cells
50000609	10	ChEBML_1686623	Binding affinity to 5-HT1A (unknown origin)
50000609	16	ChEBML_1686644	Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mins by spectrofluorimetric analysis
50036929	1	ChEMBL_198445 (CHEMBL804767)	Inhibitory activity of compound against SSAT extracted from superinduced H157 cells
50036929	2	ChEMBL_198446 (CHEMBL872601)	Inhibitory activity against human SSAT
50036929	3	ChEMBL_197498 (CHEMBL805132)	Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme
50036929	4	ChEMBL_223918 (CHEMBL845254)	Inhibitory activity against spermine synthase
50036929	5	ChEMBL_197500 (CHEMBL805134)	Inhibition of rat liver form of S-adenosyl-methionine decarboxylase enzyme
50036930	1	ChEMBL_62971 (CHEMBL677461)	Inhibition of high affinity DA uptake into rat synaptosomes using [3H]DA
50036930	2	ChEMBL_201804 (CHEMBL872698)	Inhibition of high affinity serotonin uptake into rat synaptosomes using [3H]5-HT
50036930	3	ChEMBL_142971 (CHEMBL752041)	Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand
50036930	4	ChEMBL_62325 (CHEMBL674264)	Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes
50036930	5	ChEMBL_142972 (CHEMBL752042)	Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE radioligand
50036930	6	ChEMBL_62328 (CHEMBL674267)	Ability to inhibit high affinity uptake of DA into the nerve endings of rat synaptosomes using [3H]DA as a radioligand
50036931	1	ChEMBL_214943 (CHEMBL819394)	Inhibition of Iks current KvLQT1 potassium channel
50036931	2	ChEMBL_198597 (CHEMBL801444)	Inhibition of human SUR1/Kir6.2 expressed in CHO cells
50036931	3	ChEMBL_158527 (CHEMBL768954)	The inhibitory concentration for 50% was measured on potassium channel complex
50036931	4	ChEMBL_197571 (CHEMBL804023)	Inhibition of hSK1 calcium activated potassium channel (SKCa channel)
50036931	5	ChEMBL_198599 (CHEMBL805672)	Inhibition of human SUR2A/Kir6.2 expressed in Xenopus oocytes
50036931	6	ChEMBL_220741 (CHEMBL841079)	Inhibition of hERG currents Kv11.1
50036931	8	ChEMBL_214948 (CHEMBL819399)	In vitro immunosuppression in stimulated T cells expressing Voltage-gated potassium channel subunit Kv1.3
50036931	9	ChEMBL_158547 (CHEMBL768690)	The inhibitory concentration for 50% was measured on cation flux
50036931	10	ChEMBL_197572 (CHEMBL804024)	Inhibition of hSK1 calcium activated potassium channel (SKCa channel); Range is 1-2
50036931	11	ChEMBL_71494 (CHEMBL680747)	Selectivity for gardos channel; (Gardos channel vs 2000 nM for the cardiac IKs channel).)
50036931	12	ChEMBL_158549 (CHEMBL768692)	Inhibition of voltage-gated potassium channel subunit Kv1.5
50036931	14	ChEMBL_198598 (CHEMBL801445)	Inhibition of human SUR2A/Kir6.2 expressed in Xenopus oocytes
50036931	15	ChEMBL_86621 (CHEMBL699347)	Inhibition of IKs currents in Xenopus oocytes
50036931	16	ChEMBL_198600 (CHEMBL805673)	Inhibition of SUR2B/Kir6.2
50036931	17	ChEMBL_214955 (CHEMBL821184)	In vitro immunosuppression in stimulated T cells expressing Voltage-gated potassium channel subunit Kv1.3; Range is 1-10
50036931	18	ChEMBL_214954 (CHEMBL821183)	Inhibition of voltage-gated potassium channel subunit Kv1.3 transfected CHO cells
50036931	19	ChEMBL_198601 (CHEMBL805674)	Inhibition of SUR2B/Kir6.2
50036932	1	ChEMBL_86747 (CHEMBL694088)	Ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex
50036933	1	ChEMBL_153136 (CHEMBL759075)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)
50036933	2	ChEMBL_153135 (CHEMBL759074)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)
50036933	3	ChEMBL_153140 (CHEMBL759079)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T8G)
50036933	4	ChEMBL_153142 (CHEMBL759081)	Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)
50036933	5	ChEMBL_153139 (CHEMBL759078)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)
50036933	6	ChEMBL_153141 (CHEMBL759080)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (W22G)
50036933	7	ChEMBL_153137 (CHEMBL759076)	Displacement of [3H]-PDBu from protein kinase C delta C1b domain mutant (P11G)
50036933	8	ChEMBL_153138 (CHEMBL759077)	Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (Q27V)
50036933	9	ChEMBL_153143 (CHEMBL759082)	Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)
50036934	1	ChEMBL_31458 (CHEMBL643940)	Inhibition of Aldose reductase (AR)
50000609	24	ChEBML_1686619	Agonist activity at RXRbeta (unknown origin)
50036935	1	ChEMBL_153127 (CHEMBL759066)	Ability to displace bound [20-3H]-PDBU from a recombinant single isozyme (PKCalpha) in the presence of phosphatidylserine
50036936	1	ChEMBL_52971 (CHEMBL664179)	Inhibitory activity against Pneumocystis carinii dihydrofolate reductase
50036936	2	ChEMBL_55111 (CHEMBL665438)	Inhibition of rat liver dihydrofolate reductase
50036936	3	ChEMBL_208758 (CHEMBL812312)	Inhibitory activity against Escherichia coli thymidylate synthase
50036936	4	ChEMBL_209444 (CHEMBL880227)	Inhibitory activity against recombinant Pneumocystis carinii TS
50036936	5	ChEMBL_209615 (CHEMBL817509)	Inhibitory activity against human thymidylate synthase
50036936	7	ChEMBL_209446 (CHEMBL816047)	Inhibitory activity against recombinant Pneumocystis carinii TS
50036936	8	ChEMBL_208757 (CHEMBL812311)	Inhibitory activity against Escherichia coli thymidylate synthase
50036936	9	ChEMBL_53334 (CHEMBL664920)	Inhibitory activity against Toxoplasma gondii dihydrofolate reductase
50036936	6	ChEMBL_54387 (CHEMBL666737)	Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase
50036936	10	ChEMBL_54111 (CHEMBL668441)	Inhibitory activity against human dihydrofolate reductase
50036936	11	ChEMBL_53135 (CHEMBL665856)	Inhibitory activity against Pneumocystis carinii dihydrofolate reductase
50036937	2	ChEMBL_219126 (CHEMBL821806)	Inhibition of Amyloid-beta production in APP-transfected cells at level of gamma secretase
50036937	4	ChEMBL_219126 (CHEMBL821806)	Inhibition of Amyloid-beta production in APP-transfected cells at level of gamma secretase
50036938	1	ChEMBL_145821 (CHEMBL753682)	Binding affinity towards rat opioid receptor kappa 1 was determined using [3H]diprenorphine radioligand
50036938	2	ChEMBL_149630 (CHEMBL756698)	Binding affinity towards rat mu-opioid receptor was determined using [3H]diprenorphine as radioligand
50036938	5	ChEMBL_146326 (CHEMBL757534)	Binding affinity towards mouse delta-opioid receptor was determined using [3H]diprenorphine as radioligand
50036938	4	ChEMBL_145835 (CHEMBL755493)	Effect on binding to kappa(Glu297Ala) opioid receptor, using [3H]diprenorphine in transiently expressed rat HEK293 cells
50036938	3	ChEMBL_145836 (CHEMBL755494)	Effect on binding to wild-type opioid receptor kappa 1 using [3H]diprenorphine in transiently expressed rat HEK293 cells
50036939	1	ChEMBL_72768 (CHEMBL680373)	Inhibitory activity against Leishmania mexicana GAPDH
50036939	2	ChEMBL_72906 (CHEMBL684720)	In vitro inhibition of rabbit muscle GAPDH.
50036939	3	ChEMBL_72892 (CHEMBL684059)	In vitro inhibition of Trypanosoma cruzi GAPDH.
50036939	4	ChEMBL_72887 (CHEMBL684054)	In vitro inhibition of Trypanosoma brucei GAPDH.
50036940	1	ChEMBL_147990 (CHEMBL754115)	Inhibitory activity against P-selectin using ELISA-based assay
50036940	2	ChEMBL_147992 (CHEMBL755820)	Inhibitory activity against P-selectin using cell-cell assay
50036940	3	ChEMBL_199705 (CHEMBL803588)	Inhibitory activity against Selectin E using cell-cell assay
50036940	4	ChEMBL_147995 (CHEMBL755823)	Inhibitory activity against P-selectin using cell-selectin protein assay
50000610	1	ChEBML_1686650	Binding affinity to human CK2alpha expressed in Escherichia coli BL21(DE3)
50000611	1	ChEBML_1686749	Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme activity assay
50036943	4	ChEMBL_154420 (CHEMBL758019)	Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)
50000612	1	ChEBML_1686804	Inhibition of CYP3A4 (unknown origin)
50000613	6	ChEBML_1686866	Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of Na+, K+ and Mg2+ by liquid scintillation counting
50000613	9	ChEBML_1686864	Inhibition of recombinant rat Na+/K+-ATPase alpha2/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by liquid scintillation counting
50000613	7	ChEBML_1686865	Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by liquid scintillation counting
50000613	10	ChEMBL_1686862 (CHEMBL4037341)	Inhibition of recombinant rat Na+/K+-ATPase alpha1/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by liquid scintillation counting
50000613	4	ChEBML_1686862	Inhibition of recombinant rat Na+/K+-ATPase alpha1/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by liquid scintillation counting
50000613	8	ChEBML_1686867	Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta3 expressed in baculovirus infected Sf9 cell membranes using [gamma-32P]ATP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by liquid scintillation counting
50000613	11	ChEBML_1686889	Displacement of Tracer Red from human ERG expressed in cell membranes by fluorescence polarization assay
50036944	2	ChEMBL_48588 (CHEMBL662468)	Inhibition of [3H]pCCK-8 specific binding cholecystokinin type B receptor in rat cerebral cortex membranes
50000615	4	ChEMBL_1686959 (CHEMBL4037438)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by patch clamp assay
50000615	1	ChEMBL_1686964 (CHEMBL4037443)	Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-induced G2/M phase arrest
50000615	5	ChEMBL_1686958 (CHEMBL4037437)	Inhibition of CHK1 (unknown origin)
50000615	2	ChEBML_1686958	Inhibition of CHK1 (unknown origin)
50036944	1	ChEMBL_50180 (CHEMBL662395)	Inhibition of [3H]pCCK-8 specific binding to cholecystokinin type A receptor in rat pancreas
50036945	1	ChEMBL_219174 (CHEMBL821685)	Functional activity at the mouse melanocortin 1 receptor
50036945	2	ChEMBL_219176 (CHEMBL821687)	Functional activity at the mouse melanocortin 3 receptor
50036945	3	ChEMBL_219178 (CHEMBL821689)	Functional activity at the mouse melanocortin 4 receptor
50036945	4	ChEMBL_219179 (CHEMBL821690)	Functional activity at the mouse melanocortin 5 receptor
50036946	1	ChEMBL_159290 (CHEMBL766055)	HIV-1 protease inhibition.
50036947	1	ChEMBL_221650 (CHEMBL823227)	Binding affinity for p56lck SH2 domain site
50036948	1	ChEMBL_201194 (CHEMBL802158)	Inhibition of serotonin N-acetyl-transferase
50036949	1	ChEMBL_104369 (CHEMBL715830)	In vitro inhibitory activity against matrix metalloprotease-2
50036949	2	ChEMBL_105037 (CHEMBL711551)	Inhibitory activity against matrix metalloprotease-7
50036949	3	ChEMBL_105068 (CHEMBL873369)	Inhibitory activity against matrix metalloprotease-8
50036949	4	ChEMBL_106478 (CHEMBL719147)	In vitro inhibitory activity against matrix metalloprotease-13
50036949	5	ChEMBL_105229 (CHEMBL712560)	In vitro inhibition of human matrix metalloprotease-9
50036949	6	ChEMBL_105963 (CHEMBL878467)	In vitro inhibitory activity against matrix metalloprotease-1
50036949	7	ChEMBL_104708 (CHEMBL874160)	In vitro inhibitory activity against matrix metalloprotease-3
50036949	8	ChEMBL_106110 (CHEMBL713703)	In vitro inhibitory activity against matrix metalloprotease-1
50036949	9	ChEMBL_104715 (CHEMBL709528)	In vitro inhibitory activity against matrix metalloprotease-3
50036950	1	ChEMBL_64113 (CHEMBL679788)	Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid
50036950	3	ChEMBL_64111 (CHEMBL679143)	Inhibitory activity against EAAC1 (EAAT3) in absence of L-glutamic acid in mammalian cells
50036950	4	ChEMBL_64112 (CHEMBL679787)	Inhibitory activity against EAAC1 (EAAT3) in absence of L-glutamic acid.
50036950	5	ChEMBL_64115 (CHEMBL677660)	Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid.
50036950	7	ChEMBL_64114 (CHEMBL677659)	Inhibitory activity against EAAC1 (EAAT3) in presence of 20 uM L-glutamic acid in mammalian cells
50036951	1	ChEMBL_51873 (CHEMBL666528)	Binding affinity towards cyclophilin A by fluorescence
50036952	1	ChEMBL_61359 (CHEMBL673261)	Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen
50036952	2	ChEMBL_201338 (CHEMBL882391)	Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Macaca mulatta) or cynomolgus monkey (Macaca fascicularis) caudate-putamen.
50000616	13	ChEMBL_1686981 (CHEMBL4037460)	Inhibition of recombinant human MAGL using 4-NPA as substrate after 30 mins by colorimetric analysis
50000616	2	ChEMBL_1687004 (CHEMBL4037483)	Inhibition of recombinant human MAGL expressed in African green monkey COS7 cells using 2-arachidonoyl-[3H]-glycerol as substrate after 20 mins by scintillation counting analysis
50000616	3	ChEMBL_1687002 (CHEMBL4037481)	Inhibition of MAGL from Wistar rat brain using 2-monooleoyl[1,2,3-H]glycerol as substrate
50036953	1	ChEMBL_106797 (CHEMBL718403)	Inhibition of matrix metalloprotease-16
50036953	3	ChEMBL_104875 (CHEMBL709173)	Inhibition of human MMP-3.
50036953	4	ChEMBL_105196 (CHEMBL713835)	Inhibition of matrix metalloprotease-8
50036953	5	ChEMBL_222128 (CHEMBL822216)	Inhibition of porcine TNF-alpha converting enzyme (pTACE).
50036953	7	ChEMBL_105053 (CHEMBL711567)	Inhibition of matrix metalloprotease-7
50036953	8	ChEMBL_104535 (CHEMBL718312)	Inhibition of matrix metalloprotease-2
50036953	9	ChEMBL_106793 (CHEMBL718399)	Inhibition of matrix metalloprotease-15
50036953	10	ChEMBL_106613 (CHEMBL717450)	Inhibition of matrix metalloprotease-13
50036953	11	ChEMBL_106785 (CHEMBL718392)	Inhibition of matrix metalloprotease-14
50036954	1	ChEMBL_220570 (CHEMBL841851)	Inhibitory activity against recombinant murine iNOS.
50036954	2	ChEMBL_223229 (CHEMBL843813)	Inhibitory activity against recombinant rat nNOS.
50036954	3	ChEMBL_216244 (CHEMBL823877)	Inhibitory activity against recombinant bovine eNOS.
50000616	4	ChEBML_1686991	Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy analysis
50000616	5	ChEBML_1686990	Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHOK1 cell membranes after 90 mins
50000616	6	ChEBML_1686988	Inhibition of recombinant human FAAH using AMC arachidonoylamide as substrate after 30 mins by fluorescence assay
50000616	7	ChEMBL_1686986 (CHEMBL4037465)	Competitive inhibition of recombinant human MAGL using 4-NPA as substrate after 30 mins by Michaelis-Menten plot analysis
50036955	5	ChEMBL_149627 (CHEMBL756696)	Antagonist activity on agonist (DAMGO) stimulated [35S]GTP-gamma-S, binding in cloned mu opioid receptors
50000616	8	ChEBML_1687006	Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis
50036955	7	ChEMBL_147035 (CHEMBL753676)	Binding affinity to delta-opioid receptor of rat brain using [3H]DADLE as radioligand
50036955	8	ChEMBL_147035 (CHEMBL753676)	Binding affinity to delta-opioid receptor of rat brain using [3H]DADLE as radioligand
50000616	1	ChEMBL_1687005 (CHEMBL4037484)	Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins by HPLC analysis
50036955	6	ChEMBL_149628 (CHEMBL873926)	Antagonist activity on agonist (DAMGO) stimulated [35S]GTP-gamma-S, binding in cloned mu opioid receptors.
50036955	14	ChEMBL_149628 (CHEMBL873926)	Antagonist activity on agonist (DAMGO) stimulated [35S]GTP-gamma-S, binding in cloned mu opioid receptors.
50036955	1	ChEMBL_145235 (CHEMBL755686)	Antagonist activity on agonist (U50,488) stimulated [35S]GTP-gamma-S, binding in cloned opioid receptor kappa 1
50036956	1	ChEMBL_27997 (CHEMBL642727)	In vitro inhibition of electric eel acetylcholinesterase
50036956	2	ChEMBL_41424 (CHEMBL654404)	Inhibition of butyrylcholinesterase from human serum
50036956	3	ChEMBL_28300 (CHEMBL644839)	In vitro inhibition of acetylcholinesterase from human erythrocytes
50036957	1	ChEMBL_197349 (CHEMBL800528)	Inhibition of purified recombinant human placental S-adenosyl-homocysteine hydrolase
50036958	1	ChEMBL_149475 (CHEMBL758225)	Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea pig brain membranes
50000616	9	ChEMBL_1687006 (CHEMBL4037485)	Inhibition of recombinant human MAGL using 4-NPA as substrate after 10 mins in presence of DTT by colorimetric analysis
50000616	10	ChEBML_1687002	Inhibition of MAGL from Wistar rat brain using 2-monooleoyl[1,2,3-H]glycerol as substrate
50000616	11	ChEBML_1686992	Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy analysis
50000616	12	ChEBML_1686989	Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHOK1 cell membranes after 90 mins
50036958	2	ChEMBL_146235 (CHEMBL755003)	Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogenates of guinea pig brain membranes
50000617	1	ChEMBL_1687019 (CHEMBL4037498)	Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as increase in intracellular calcium accumulation by Fluo-4 AM dye based fluorescence assay
50000617	16	ChEMBL_1687014 (CHEMBL4037493)	Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50000617	17	ChEMBL_1687016 (CHEMBL4037495)	Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50000617	3	ChEBML_1687020	Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as increase in intracellular calcium accumulation by Fluo-4 AM dye based fluorescence assay
50000617	4	ChEBML_1687026	Antagonist activity at rat GluN1a/mouse GluN2B receptors expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glucine induced current amplitude at holding potential of -60 mV by patch clamp assay
50000617	5	ChEMBL_1687029 (CHEMBL4037508)	Agonist activity at mGlu4 assessed as decrease in PF-induced presynaptic calcium amplitude in rat coronal slices by Fluo-4FF-AM dye based fluorescence assay
50000617	6	ChEBML_1687038	Agonist activity at mGlu4 in C57/Bl6 mouse GP neurons assessed as inhibition of striatopallidal GABAergic inhibitory postsynaptic current amplitude by whole cell patch clamp assay
50000617	2	ChEBML_1687016	Agonist activity at mGlu4 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50000617	8	ChEMBL_1687020 (CHEMBL4037499)	Agonist activity at mGlu8 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as increase in intracellular calcium accumulation by Fluo-4 AM dye based fluorescence assay
50000617	15	ChEMBL_1687025 (CHEMBL4037504)	Antagonist activity at rat GluN1a/GluN2A receptors expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glucine induced current amplitude at holding potential of -60 mV by patch clamp assay
50036959	1	ChEMBL_99045 (CHEMBL712598)	Inhibitory activity against liver Glycogen Phosphorylase a
50036959	2	ChEMBL_138353 (CHEMBL878565)	Inhibitory activity against liver Glycogen Phosphorylase a
50036959	3	ChEMBL_138356 (CHEMBL749044)	Inhibitory activity against muscle Glycogen Phosphorylase b
50036959	4	ChEMBL_99046 (CHEMBL712599)	Inhibitory activity against muscle Glycogen Phosphorylase a
50036959	5	ChEMBL_138355 (CHEMBL749043)	Inhibitory activity against muscle Glycogen Phosphorylase a
50036959	6	ChEMBL_138354 (CHEMBL749897)	Inhibitory activity against liver Glycogen Phosphorylase b
50000617	10	ChEMBL_1687017 (CHEMBL4037496)	Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50036960	2	ChEMBL_31702 (CHEMBL645783)	Affinity towards Adenosine A3 receptor expressed in HEK 293 cells using [125I]AB-MECA radioligand
50000617	18	ChEMBL_1687021 (CHEMBL4037500)	Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as increase in intracellular calcium accumulation by Fluo-4 AM dye based fluorescence assay
50036960	3	ChEMBL_28984 (CHEMBL640786)	Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPX
50000617	9	ChEBML_1687017	Agonist activity at mGlu6 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50000617	11	ChEMBL_1687018 (CHEMBL4037497)	Agonist activity at mGlu7 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50000617	19	ChEMBL_1687022 (CHEMBL4037501)	Agonist activity at mGlu7 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as increase in intracellular calcium accumulation by Fluo-4 AM dye based fluorescence assay
50036961	1	ChEMBL_200827 (CHEMBL807040)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype
50036961	2	ChEMBL_200864 (CHEMBL804583)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-5) subtype
50036961	4	ChEMBL_200684 (CHEMBL807096)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-2) subtype
50036961	5	ChEMBL_200845 (CHEMBL807055)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-4) subtype
50036961	6	ChEMBL_200696 (CHEMBL807106)	Inhibitory concentration required to inhibit SRIF-14 induced reduction of cAMP in CHO-K1 cells expressing the human sst3 receptor.
50036961	3	ChEMBL_200666 (CHEMBL806158)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-1) subtype
50000617	12	ChEBML_1687018	Agonist activity at mGlu7 (unknown origin) expressed in HEK293 cells coexpressing chimeric Gq/i protein assessed as [3H]inositol phosphate accumulation after 30 mins by scintillation and luminescence counting method
50036961	7	ChEMBL_200685 (CHEMBL807097)	Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing each of the cloned human SRIF receptor (sst-2) subtypes
50036962	1	ChEMBL_146514 (CHEMBL754623)	Binding affinity was measured on opioid receptor kappa 1
50036962	2	ChEMBL_146328 (CHEMBL757536)	Binding affinity was measured on delta opioid receptor
50036962	3	ChEMBL_149477 (CHEMBL758227)	Binding affinity was measured on mu opioid receptor
50036963	1	ChEMBL_88785 (CHEMBL699443)	Inhibition of integrin alphaIIb-beta3 binding
50036964	1	ChEMBL_70918 (CHEMBL684418)	Glucagon receptor binding measured as 50% inhibitory concentration
50036965	1	ChEMBL_62125 (CHEMBL673446)	Binding affinity at dopamine receptor D3
50036965	2	ChEMBL_60665 (CHEMBL671701)	Binding affinity at human dopamine receptor D4
50036965	3	ChEMBL_60071 (CHEMBL671385)	Binding affinity at human dopamine receptor D2
50036966	1	ChEMBL_1422 (CHEMBL616210)	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT
50036966	2	ChEMBL_3371 (CHEMBL620608)	In vitro binding affinity towards 5-HT4 receptor was determined
50036966	3	ChEMBL_3471 (CHEMBL618153)	In vitro binding affinity towards 5-hydroxytryptamine 3 receptor was determined
50036966	4	ChEMBL_52583 (CHEMBL664619)	In vitro binding affinity towards D2 receptor was determined
50036966	5	ChEMBL_2472 (CHEMBL617360)	In vitro binding affinity towards 5-hydroxytryptamine 2A receptor was determined
50036967	1	ChEMBL_1419 (CHEMBL616207)	In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes
50036968	1	ChEMBL_151406 (CHEMBL754752)	Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes
50000617	7	ChEMBL_1687032 (CHEMBL4037511)	Agonist activity at mGlu4 in Wistar rat striatum assessed as decrease in corticostriatal glutamatergic excitatory post-synaptic potential by whole cell patch clamp assay
50036968	3	ChEMBL_28986 (CHEMBL640788)	Binding activity against Adenosine A1 receptor from rat brain membranes using [3H]8-cyclopentyl-1,3-dipropylxanthine (DPCPX) 
50036968	2	ChEMBL_30479 (CHEMBL641431)	Binding affinity for adenosine A3 receptor in CHO cell membranes using [125I]IB-MECA 
50036968	4	ChEMBL_30003 (CHEMBL641294)	Binding affinity for Adenosine A2A receptor in rat brain membranes using [3H]CGS-21680 
50036969	1	ChEMBL_199857 (CHEMBL804921)	Inhibitory activity against selectin E was determined
50036970	1	ChEMBL_63840 (CHEMBL674890)	Ability to inhibit [125I]-ET-1 binding to human cloned ETB receptors expressed on CHO cells
50036970	2	ChEMBL_65793 (CHEMBL677974)	Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane
50036970	3	ChEMBL_65637 (CHEMBL681519)	Ability to inhibit [125I]ET1 binding to human cloned endothelin A receptor expressed on CHO cells
50036970	4	ChEMBL_63219 (CHEMBL674071)	Ability to inhibit specific binding of [125I]- -ET-1 to rat A 10 cells which express endothelin A receptor
50036970	5	ChEMBL_63522 (CHEMBL677270)	Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor
50036970	6	ChEMBL_63218 (CHEMBL674070)	Ability to inhibit [125I]ET1 binding to endothelin A receptor in porcine aortic membrane
50036971	1	ChEMBL_145105 (CHEMBL751989)	Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand
50036971	3	ChEMBL_149489 (CHEMBL757060)	Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand
50036972	1	ChEMBL_85522 (CHEMBL697133)	Inhibition of histamine H2 receptor
50036972	2	ChEMBL_61970 (CHEMBL670426)	Inhibition of human dopamine receptor D3
50036972	3	ChEMBL_145103 (CHEMBL882039)	Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand
50036972	4	ChEMBL_59913 (CHEMBL671072)	Inhibition of human dopamine receptor D2
50036972	5	ChEMBL_142801 (CHEMBL751374)	Binding affinity against norepinephrine transporter
50036972	6	ChEMBL_139623 (CHEMBL749005)	Binding affinity against muscarinic acetylcholine receptor M2
50036972	7	ChEMBL_2270 (CHEMBL617056)	Inhibition of human 5-hydroxytryptamine 2A receptor
50036972	9	ChEMBL_61172 (CHEMBL670987)	Inhibition of human dopamine receptor D4.4
50036972	11	ChEMBL_138280 (CHEMBL744237)	Binding affinity against muscarinic acetylcholine receptor M1
50036972	12	ChEMBL_60486 (CHEMBL674242)	Inhibition of human dopamine receptor D1
50036972	13	ChEMBL_205572 (CHEMBL807905)	Binding affinity against tachykinin receptor 1
50036972	14	ChEMBL_145011 (CHEMBL756273)	Inhibition of human ORL1 orphanin receptor
50036972	15	ChEMBL_61330 (CHEMBL675948)	Inhibition of human dopamine receptor D5
50036972	16	ChEMBL_685 (CHEMBL616269)	Inhibition of human 5-hydroxytryptamine 1A receptor
50036972	17	ChEMBL_209013 (CHEMBL872341)	Binding affinity against tachykinin receptor 2
50036972	18	ChEMBL_149488 (CHEMBL757059)	Binding affinity against mu opiate receptor
50036972	19	ChEMBL_84419 (CHEMBL691451)	Inhibition of histamine H1 receptor
50036972	22	ChEMBL_3577 (CHEMBL620710)	Binding affinity against 5-hydroxytryptamine 5A receptor
50036972	23	ChEMBL_31555 (CHEMBL644506)	Inhibition of human adenosine A3 receptor
50036972	24	ChEMBL_62968 (CHEMBL873582)	Binding affinity against dopamine transporter
50036972	25	ChEMBL_3607 (CHEMBL618090)	Inhibition of human 5-hydroxytryptamine 6 receptor
50036972	26	ChEMBL_3680 (CHEMBL620815)	Inhibition of human 5-hydroxytryptamine 7 receptor
50036972	27	ChEMBL_27431 (CHEMBL646674)	Binding affinity against A1 adenosine receptor
50036972	28	ChEMBL_211099 (CHEMBL815442)	Inhibition of human V1A vasopressin receptor
50036972	29	ChEMBL_2947 (CHEMBL617887)	Inhibition of human 5-hydroxytryptamine 2C receptor
50036972	30	ChEMBL_226559 (CHEMBL847756)	Inhibition of sigma receptor
50036972	31	ChEMBL_138279 (CHEMBL744236)	Binding affinity against M1 muscarinic receptor
50036972	32	ChEMBL_216047 (CHEMBL820723)	Binding affinity against beta-1 adrenergic receptor
50036972	33	ChEMBL_149487 (CHEMBL755357)	Binding affinity against mu opioid receptor using [3H]DAMGO
50036972	36	ChEMBL_46314 (CHEMBL663458)	Binding affinity against cannabinoid receptor 1
50036972	37	ChEMBL_62968 (CHEMBL873582)	Binding affinity against dopamine transporter
50036972	38	ChEMBL_1610 (CHEMBL885358)	Binding affinity against 5-hydroxytryptamine 1B receptor
50000617	13	ChEBML_1687029	Agonist activity at mGlu4 assessed as decrease in PF-induced presynaptic calcium amplitude in rat coronal slices by Fluo-4FF-AM dye based fluorescence assay
50036972	39	ChEMBL_139387 (CHEMBL747700)	Binding affinity against muscarinic acetylcholine receptor M5
50036972	40	ChEMBL_105242 (CHEMBL712572)	Binding affinity against melatonin receptor type 1A
50036973	1	ChEMBL_149711 (CHEMBL755808)	Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei
50036974	1	ChEMBL_35510 (CHEMBL644743)	Compound was evaluated for inhibition of enkephalin degrading enzyme, aminopeptidase N(APN)
50036974	2	ChEMBL_144640 (CHEMBL752997)	Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)
50036975	1	ChEMBL_68715 (CHEMBL682645)	GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=100 micro<M
50036975	2	ChEMBL_68714 (CHEMBL682644)	GABA-mimetic action on Oocytes expressing human alpha-1-beta-3-gamma-2L GABA-A receptor subunits at >=100 uM
50036976	1	ChEMBL_30812 (CHEMBL645087)	Inhibitory activity against adenosine deaminase
50036976	2	ChEMBL_154298 (CHEMBL763637)	Inhibitory activity against PRPP synthetase
50036978	1	ChEMBL_147041 (CHEMBL753344)	Binding affinity towards delta receptor in rat brain using [3H]DSLET
50036978	2	ChEMBL_149634 (CHEMBL753629)	Binding affinity towards mu receptor in rat brain using [3H]DAMGO
50036978	3	ChEMBL_149633 (CHEMBL756701)	Binding affinity towards mu receptor in rat brain using [3H]DAMGO
50036979	1	ChEMBL_62335 (CHEMBL674428)	Binding affinity against Dopamine transporter using [125]RTI-55
50036979	2	ChEMBL_138939 (CHEMBL745919)	Binding affinity against Muscarinic receptor from rat brain membranes using [3H]pirenzepine
50036979	3	ChEMBL_201815 (CHEMBL805323)	Binding affinity against serotonin transporter using [125]RTI-55
50036980	2	ChEMBL_3620 (CHEMBL618123)	Binding affinity towards human 5-hydroxytryptamine 6 receptor using [3H]LSD as radioligand
50036980	3	ChEMBL_3693 (CHEMBL620827)	Binding affinity towards human 5-hydroxytryptamine 7 receptor using [3H]5-HT as radioligand
50036980	4	ChEMBL_2085 (CHEMBL616728)	Binding affinity towards human 5-hydroxytryptamine 1F receptor using [3H]-5-HT radioligand
50036980	5	ChEMBL_2050 (CHEMBL616847)	Binding affinity towards human 5-hydroxytryptamine 1E receptor was determined using [3H]5-HT as radioligand
50036980	6	ChEMBL_62252 (CHEMBL675479)	Binding affinity towards rat dopamine D2 receptor was determined using [3H]raclopride as radioligand
50036980	7	ChEMBL_58647 (CHEMBL666361)	Binding affinity towards rat dopamine receptor D1 was determined using [3H]SCH-23390 radioligand
50036980	8	ChEMBL_2083 (CHEMBL616726)	Binding affinity towards human 5-hydroxytryptamine 1F receptor
50036980	9	ChEMBL_1713 (CHEMBL616920)	Binding affinity towards human 5-hydroxytryptamine 1D receptor was determined using [3H]5-HT as radioligand
50036980	10	ChEMBL_2973 (CHEMBL620621)	Binding affinity towards human 5-HT2C receptor was determined using [125I]- DOI as radioligand
50036980	11	ChEMBL_2301 (CHEMBL617086)	Binding affinity towards human 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand
50036980	12	ChEMBL_2075 (CHEMBL875905)	In vitro effective concentration for inhibition of skolin-stimulated adenylate cyclase in cell line expressing human 5-hydroxytryptamine 1F receptor
50036980	13	ChEMBL_2866 (CHEMBL617408)	Binding affinity towards human 5-hydroxytryptamine 2B receptor using [3H]5-HT as radioligand
50036980	15	ChEMBL_2084 (CHEMBL616727)	Binding affinity towards human 5-hydroxytryptamine 1F receptor was determined
50036980	16	ChEMBL_3304 (CHEMBL619005)	Binding affinity towards human 5-hydroxytryptamine 4 receptor using [3H]5-HT as radioligand
50036980	17	ChEMBL_84707 (CHEMBL694446)	Binding affinity towards rat histamine H1 receptor was determined using [3H]pyrilamine as radioligand
50036980	18	ChEMBL_1351 (CHEMBL616536)	Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT radioligand
50036980	19	ChEMBL_913 (CHEMBL872104)	Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-5-HT as radioligand
50036981	1	ChEMBL_31710 (CHEMBL873053)	Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells
50036981	2	ChEMBL_29013 (CHEMBL643487)	Binding affinity at rat brain Adenosine A1 receptor
50036981	3	ChEMBL_31833 (CHEMBL641335)	Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells
50036981	4	ChEMBL_29990 (CHEMBL642178)	Binding affinity at rat brain Adenosine A2A receptor in CHO cells
50036981	5	ChEMBL_30464 (CHEMBL643125)	Binding affinity at rat adenosine A3 receptor in RBL-2H3 cells
50036981	6	ChEMBL_30463 (CHEMBL643124)	Binding affinity at rat adenosine A3 receptor in CHO cells
50036982	1	ChEMBL_40037 (CHEMBL653018)	Inhibition of [3H]pCCK-8 binding to cholecystokinin type B receptor of rat cerebral cortex
50036982	2	ChEMBL_50181 (CHEMBL662396)	Inhibition of [3H]pCCK-8 binding to cholecystokinin type A receptor of rat pancreas
50036982	3	ChEMBL_48589 (CHEMBL662469)	Inhibition of [3H]pCCK-8 specific binding to cholecystokinin type B receptor in rat cerebral cortex
50036983	1	ChEMBL_205725 (CHEMBL807971)	In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1
50036984	1	ChEMBL_38363 (CHEMBL649021)	Inhibitory activity against Bcl-2 using bromide assay
50036984	2	ChEMBL_38360 (CHEMBL651292)	In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2 using human myeloid leukemia cell line HL-60
50036984	3	ChEMBL_38359 (CHEMBL651291)	In vitro inhibitory activity against Bak-Bh3 peptide binding to the Bcl-2
50036984	4	ChEMBL_38362 (CHEMBL651293)	Inhibitory activity against Bcl-2
50036984	5	ChEMBL_38364 (CHEMBL649022)	Inhibitory activity against Bcl-2
50036985	1	ChEMBL_62341 (CHEMBL674433)	Displacement of [3H]WIN-35 428 binding at dopamine transporter (DAT) in rat caudate putamen
50036986	1	ChEMBL_46986 (CHEMBL658955)	Binding affinity to human CB2 cannabinoid receptor using [3H]CP-55940 in HEK293 EBNA transfected cells
50036986	2	ChEMBL_215658 (CHEMBL821205)	Binding affinity to vanilloid VR1 receptor using [3H]resiniferatoxin ([3H]-RTX) in rat spinal cord membranes
50036986	3	ChEMBL_46646 (CHEMBL658901)	Binding affinity to CB1 cannabinoid receptor using [3H]WIN-55212-2 in rat cerebellum membranes
50036987	1	ChEMBL_225401 (CHEMBL847438)	Apparent telomerase inhibition by G-quadruplex mechanism
50036987	2	ChEMBL_225402 (CHEMBL847439)	Apparent telomerase inhibition by mixed mechanism
50036987	3	ChEMBL_225403 (CHEMBL846601)	Apparent telomerase inhibition by primer mechanism
50036988	1	ChEMBL_154456 (CHEMBL756369)	Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B).
50036988	2	ChEMBL_154458 (CHEMBL756371)	Binding affinity towards the binding site in PTP1B enzyme
50036988	3	ChEMBL_49007 (CHEMBL875897)	Inhibitory activity against Protein tyrosine phosphatase cell division cycle 25A
50036988	4	ChEMBL_154472 (CHEMBL765610)	Inhibitory activity against Protein tyrosine phosphatase PTPbeta.
50036988	5	ChEMBL_39921 (CHEMBL656533)	Inhibitory activity against Protein tyrosine phosphatase CD45.
50036988	6	ChEMBL_198761 (CHEMBL801967)	Inhibitory activity against Protein tyrosine phosphatase SHP-2.
50036988	7	ChEMBL_198760 (CHEMBL801966)	Inhibitory activity against Protein tyrosine phosphatase SHP-1.
50036988	8	ChEMBL_206164 (CHEMBL872634)	Inhibitory activity against Protein tyrosine phosphatase TCPTP.
50036988	9	ChEMBL_154473 (CHEMBL765611)	Inhibitory activity against Protein tyrosine phosphatase PTPmeg-1.
50036988	10	ChEMBL_154459 (CHEMBL756372)	Binding affinity towards the site of PTP1B enzyme
50036989	1	ChEMBL_144027 (CHEMBL750442)	Recovery following a 5 min wash after 10 uM application and 300 uM of ACh for Nicotinic acetylcholine receptor alpha7
50036989	2	ChEMBL_144184 (CHEMBL749305)	In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]alpha-bungarotoxin in rat brain
50036989	3	ChEMBL_144026 (CHEMBL750441)	Receptor activation after 100 uM application and 300 uM of ACh for Nicotinic acetylcholine receptor alpha7
50036989	4	ChEMBL_144342 (CHEMBL750234)	In vitro binding affinity towards nicotinic (alpha4-beta2) receptor using [3H]cytisine in rat brain
50036989	5	ChEMBL_144028 (CHEMBL750443)	Recovery following a 5 min wash after 100 uM application and 300 uM of ACh for Nicotinic acetylcholine receptor alpha7
50036989	6	ChEMBL_144337 (CHEMBL751848)	In vitro binding affinity towards nicotinic receptor (alpha-7) using [125I]alpha-bungarotoxin in rat brain
50036989	7	ChEMBL_144326 (CHEMBL751837)	In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]-alpha-Bungarotoxin in rat brain
50036989	8	ChEMBL_144025 (CHEMBL750440)	Receptor activation after 10 uM application and 300 uM of ACh for Nicotinic acetylcholine receptor alpha7
50036990	1	ChEMBL_41426 (CHEMBL654406)	In vitro inhibitory concentration against BChE of human serum
50036990	2	ChEMBL_28622 (CHEMBL642883)	In vitro inhibitory concentration against acetylcholinesterase of human erythrocytes
50036990	3	ChEMBL_27818 (CHEMBL636708)	In vitro inhibitory concentration against bovine acetylcholinesterase enzyme
50036991	2	ChEMBL_76720 (CHEMBL688553)	Inhibition of EGF-dependent proliferation of human and guinea pig keratinocytes; range 7-15 uM
50036991	4	ChEMBL_214494 (CHEMBL818393)	Binding affinity to VDR receptor
50000618	21	ChEMBL_1687104 (CHEMBL4037583)	Antagonist activity at CCR7 (unknown origin)
50000618	1	ChEMBL_1687045 (CHEMBL4037524)	Antagonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as inhibition of TEV protease tagged human CXCL1-stimulated beta-arrestin recruitment by CCF4-AM-fluorescence based FRET assay
50036993	1	ChEMBL_196189 (CHEMBL801176)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y181I
50036993	2	ChEMBL_196190 (CHEMBL802994)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution Y188L
50036993	3	ChEMBL_196187 (CHEMBL801174)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V106A
50036993	4	ChEMBL_196186 (CHEMBL801173)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution L1001
50036993	5	ChEMBL_196191 (CHEMBL803636)	Inhibition of HIV-1 wild-type RT
50036993	6	ChEMBL_196185 (CHEMBL882853)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution K103N
50036993	7	ChEMBL_196188 (CHEMBL801175)	Inhibition of HIV-1 Mutant HIV-1 RT enzymes containing the single amino acid substitution V179D
50036994	1	ChEMBL_30744 (CHEMBL649775)	Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membrane
50036994	2	ChEMBL_31249 (CHEMBL642373)	Displacement of [125 I]AB-MECA from adenosine A3 receptor in bovine cortical membranes with 20 nM DPCPX
50036994	3	ChEMBL_29134 (CHEMBL637556)	Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP
50036994	4	ChEMBL_29123 (CHEMBL642257)	Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cortical membranes
50036994	5	ChEMBL_29137 (CHEMBL637559)	Intrinsic activity towards Adenosine A1 receptor using [3H]DPCPX from bovine cortical membranes without GTP
50036994	6	ChEMBL_29133 (CHEMBL637555)	Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP
50036994	7	ChEMBL_29132 (CHEMBL637554)	Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP
50000618	2	ChEBML_1687049	Antagonist activity at CXCR2 in human whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 15 mins followed by GROalpha stimulation measured after 15 mins by FITC-staining based FACS analysis
50036994	8	ChEMBL_29136 (CHEMBL637558)	Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes with 1 mM GTP
50036994	9	ChEMBL_29135 (CHEMBL637557)	Intrinsic activity towards Adenosine A1 receptor as displacement of [3H]DPCPX from bovine cortical membranes without GTP
50036995	1	ChEMBL_71451 (CHEMBL684350)	Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells
50000618	39	ChEMBL_1687044 (CHEMBL4037523)	Antagonist activity at CXCR2 in C57 mouse whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 1 hr followed by GROalpha stimulation measured after 10 mins by FITC-staining based FACS analysis
50036996	1	ChEMBL_60684 (CHEMBL675946)	Binding affinity towards human dopamine receptor D4
50036996	2	ChEMBL_2300 (CHEMBL617085)	Binding affinity for human 5-hydroxytryptamine 2A receptor
50036996	3	ChEMBL_60492 (CHEMBL674248)	Binding affinity against dopamine receptor D1
50036996	4	ChEMBL_84429 (CHEMBL691617)	Binding affinity towards human H1 receptor
50036996	6	ChEMBL_60217 (CHEMBL672179)	Binding affinity towards human D2 dopamine receptor.
50036996	7	ChEMBL_758 (CHEMBL615860)	Binding affinity towards human 5-hydroxytryptamine 1 receptor
50036996	8	ChEMBL_84411 (CHEMBL691445)	Binding affinity towards human H1 receptor
50000618	9	ChEMBL_1687088 (CHEMBL4037567)	Agonist activity at CCR9 (unknown origin)
50036996	10	ChEMBL_2717 (CHEMBL617277)	Binding affinity towards human 5-hydroxytryptamine 2C receptor
50036996	11	ChEMBL_138410 (CHEMBL744772)	Binding affinity towards human M1 muscarinic receptor.
50036996	12	ChEMBL_138411 (CHEMBL744773)	Binding affinity towards human M1 receptor.
50036996	13	ChEMBL_62268 (CHEMBL675670)	Binding affinity towards human dopamine receptor D3
50000618	8	ChEMBL_1687087 (CHEMBL4037566)	Agonist activity at CCR8 (unknown origin)
50036996	16	ChEMBL_2645 (CHEMBL618894)	Binding affinity towards rat 5-hydroxytryptamine 2A receptor
50036996	19	ChEMBL_214944 (CHEMBL819395)	Binding affinity at Voltage-gated potassium channel
50036996	20	ChEMBL_84422 (CHEMBL691454)	Binding affinity against histamine H1 receptor
50036996	21	ChEMBL_226558 (CHEMBL847755)	Binding affinity towards sigma receptor was determined
50036997	1	ChEMBL_30008 (CHEMBL641299)	Binding affinity towards adenosine A2A receptor in rat brain striatum
50036997	2	ChEMBL_29318 (CHEMBL642306)	Binding affinity towards adenosine A1 receptor in rat brain cortex
50000618	5	ChEMBL_1687082 (CHEMBL4037561)	Agonist activity at CCR3 (unknown origin)
50000618	40	ChEMBL_1687100 (CHEMBL4037579)	Antagonist activity at CCR3 (unknown origin)
50000618	41	ChEMBL_1687049 (CHEMBL4037528)	Antagonist activity at CXCR2 in human whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 15 mins followed by GROalpha stimulation measured after 15 mins by FITC-staining based FACS analysis
50000618	10	ChEMBL_1687089 (CHEMBL4037568)	Agonist activity at CMKLR1 (unknown origin)
50000618	11	ChEMBL_1687090 (CHEMBL4037569)	Agonist activity at CX3CR1 (unknown origin)
50000618	12	ChEMBL_1687091 (CHEMBL4037570)	Agonist activity at CXCR1 (unknown origin)
50000618	15	ChEMBL_1687096 (CHEMBL4037575)	Agonist activity at CXCR6 (unknown origin)
50000618	17	ChEBML_1687080	Agonist activity at CCR10 (unknown origin)
50000618	13	ChEMBL_1687093 (CHEMBL4037572)	Agonist activity at CXCR3 (unknown origin)
50000618	19	ChEMBL_1687101 (CHEMBL4037580)	Antagonist activity at CCR4 (unknown origin)
50036998	1	ChEMBL_103899 (CHEMBL711481)	Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)
50036998	2	ChEMBL_103898 (CHEMBL711480)	Binding activity towards the active site of macrophage migration inhibitory factor (MIF)
50036998	3	ChEMBL_103897 (CHEMBL710002)	Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)
50036999	1	ChEMBL_212563 (CHEMBL814921)	In vitro activity against human trypsin.
50036999	2	ChEMBL_157259 (CHEMBL765459)	In vitro activity against human Plasma kallikrein.
50036999	3	ChEMBL_208358 (CHEMBL813668)	In vitro activity against human thrombin.
50036999	4	ChEMBL_69672 (CHEMBL682010)	In vitro activity against rabbit FXa.
50036999	5	ChEMBL_212982 (CHEMBL817003)	In vitro activity against human urokinase
50036999	6	ChEMBL_48791 (CHEMBL662444)	Binding affinity against human coagulation factor X
50036999	7	ChEMBL_48444 (CHEMBL662109)	In vitro activity against human factor IXa
50036999	8	ChEMBL_49749 (CHEMBL662081)	In vitro activity against human Chymotrypsinogen B1
50036999	9	ChEMBL_155242 (CHEMBL764732)	In vitro activity against human plasmin
50036999	10	ChEMBL_48037 (CHEMBL666763)	In vitro activity against human Complement factor I
50036999	11	ChEMBL_225387 (CHEMBL874104)	In vitro activity against human tissue plasminogen activator
50036999	12	ChEMBL_27846 (CHEMBL642271)	In vitro activity against human Activated protein C
50036999	13	ChEMBL_69673 (CHEMBL682011)	In vitro activity against rabbit factor Xa
50036999	14	ChEMBL_48458 (CHEMBL662863)	The compound was tested for inhibition of human coagulation factor VII
50037000	1	ChEMBL_138941 (CHEMBL745921)	Binding affinity for muscarinic m1 receptor was determined in vitro in rat brain using [3H]pirenzepine as radioligand.
50037000	2	ChEMBL_143109 (CHEMBL872668)	Binding affinity for norepinephrine transporter in rat brain using [3H]-nisoxatine as radioligand
50037000	3	ChEMBL_201825 (CHEMBL805332)	Binding affinity for serotonin transporter was determined in vitro in rat brain using [3H]citalopram as radioligand.
50037000	4	ChEMBL_62464 (CHEMBL678930)	Binding affinity for dopamine transporter was determined in vitro in rat brain using [3H]WIN-35428 s radioligand
50037001	1	ChEMBL_32009 (CHEMBL646606)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells
50037001	2	ChEMBL_29483 (CHEMBL641717)	Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane
50037001	3	ChEMBL_30023 (CHEMBL641314)	Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined
50037001	4	ChEMBL_30024 (CHEMBL641315)	Displacement of [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane
50037001	5	ChEMBL_30020 (CHEMBL641311)	Displacement of [3H]-CGS- 21680 binding in adenosine A2A receptor of rat striatal membrane
50037001	6	ChEMBL_217927 (CHEMBL822074)	Percent displacement of [3H]DPCPX binding in human adenosine A2B receptor expressed in COS-7 cells
50037002	1	ChEMBL_49008 (CHEMBL662888)	Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)
50037002	2	ChEMBL_49009 (CHEMBL662889)	Inhibitory activity tested against cell division cycle 25A (assay using p-nitro phenyl phosphate (pNPP) as substrate)
50000618	20	ChEBML_1687103	Antagonist activity at CCR6 (unknown origin)
50037002	3	ChEMBL_39929 (CHEMBL655771)	Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)
50037002	4	ChEMBL_49192 (CHEMBL662120)	Inhibitory activity tested against Human cell division cycle 25 degree C
50037002	5	ChEMBL_49200 (CHEMBL662921)	Inhibitory activity tested against human cell division cycle 45-like 2
50000618	32	ChEMBL_1687092 (CHEMBL4037571)	Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused recombinant human CXCR2 expressed in cells assessed as induction of beta-arrestin recruitment by CCF4-AM-fluorescence based FRET assay
50037003	2	ChEMBL_145831 (CHEMBL873915)	Displacement of [3H]diprenorphine from k-Y312A-receptor expressed in HEK 293 cells
50000618	22	ChEBML_1687105	Antagonist activity at CCR8 (unknown origin)
50037003	4	ChEMBL_145830 (CHEMBL755489)	Displacement of [3H]diprenorphine from k-E297A-receptor expressed in HEK 293 cells
50037003	5	ChEMBL_146333 (CHEMBL754765)	Displacement of [3H]- diprenorphine from delta-W284E-receptor expressed in HEK 293 cells
50037003	3	ChEMBL_145832 (CHEMBL755490)	Displacement of [3H]diprenorphine from opioid receptor kappa 1 expressed in HEK 293 cells
50037003	6	ChEMBL_149638 (CHEMBL753633)	Displacement of [3H]- diprenorphine from mu-W318A-receptor expressed in HEK 293 cells
50037003	1	ChEMBL_149639 (CHEMBL753634)	Displacement of [3H]- diprenorphine from mu-receptor expressed in HEK 293 cells
50037003	7	ChEMBL_146332 (CHEMBL754764)	Displacement of [3H]- diprenorphine from delta receptor expressed in HEK 293 cells
50037003	8	ChEMBL_149637 (CHEMBL753632)	Displacement of [3H]- diprenorphine from mu-W318A-receptor expressed in HEK 293
50000618	3	ChEMBL_1687080 (CHEMBL4037559)	Agonist activity at CCR10 (unknown origin)
50037003	9	ChEMBL_145833 (CHEMBL755491)	Displacement of [3H]diprenorphine from opioid receptor kappa 1 expressed in HEK 293 cells
50000618	24	ChEBML_1687108	Antagonist activity at CX3CR1 (unknown origin)
50000618	25	ChEBML_1687110	Antagonist activity at CXCR3 (unknown origin)
50037003	11	ChEMBL_146335 (CHEMBL754767)	Displacement of [3H]- diprenorphine from delta-receptor expressed in HEK 293 cells
50000618	26	ChEBML_1687111	Antagonist activity at CXCR4 (unknown origin)
50000618	28	ChEBML_1687114	Antagonist activity at CXCR7 (unknown origin)
50000618	42	ChEMBL_1687113 (CHEMBL4037592)	Antagonist activity at CXCR6 (unknown origin)
50037003	13	ChEMBL_146336 (CHEMBL753636)	Displacement of [3H]- diprenorphine from mu-K303E-receptor expressed in HEK 293 cells
50037003	14	ChEMBL_149635 (CHEMBL753630)	Displacement of [3H]- diprenorphine from mu-K303E-receptor expressed in HEK 293
50000618	4	ChEMBL_1687081 (CHEMBL4037560)	Agonist activity at CCR2 (unknown origin)
50037003	10	ChEMBL_149636 (CHEMBL753631)	Displacement of [3H]- diprenorphine from mu-K303E-receptor expressed in HEK 293 cells
50037003	15	ChEMBL_145829 (CHEMBL755488)	Displacement of [3H]diprenorphine from delta-W284E-receptor expressed in HEK 293 cells
50037003	12	ChEMBL_146334 (CHEMBL754766)	Displacement of [3H]- diprenorphine from delta-receptor expressed in HEK 293 cells
50037004	1	ChEMBL_33671 (CHEMBL649858)	In vitro binding affinity against alpha-2C adrenergic receptor of male Wistar rat
50037004	2	ChEMBL_33678 (CHEMBL646819)	In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat
50037005	1	ChEMBL_201506 (CHEMBL805633)	In vitro binding affinity at serotonin transporter in rat striatum by [3H]- citalopram displacement.
50037005	2	ChEMBL_142942 (CHEMBL872842)	Affinity at norepinephrine transporter (NET) in rat striatum, using [3H]- nisoxatine as radioligand
50037005	3	ChEMBL_61829 (CHEMBL672592)	In vitro binding affinity at dopamine transporter in rat striatum by [3H]WIN-35428 displacement.
50037006	1	ChEMBL_145706 (CHEMBL753914)	Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain
50037006	2	ChEMBL_149624 (CHEMBL758048)	Affinity of [3H]DAMGO to the mu opioid receptor from rat brain
50037006	3	ChEMBL_146896 (CHEMBL751670)	Affinity of [H]DADLE to the delta opioid receptor from rat brain
50000618	29	ChEBML_1687044	Antagonist activity at CXCR2 in C57 mouse whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 1 hr followed by GROalpha stimulation measured after 10 mins by FITC-staining based FACS analysis
50000618	14	ChEMBL_1687094 (CHEMBL4037573)	Agonist activity at CXCR4 (unknown origin)
50037007	1	ChEMBL_147226 (CHEMBL754914)	Binding affinity towards opioid receptor kappa 1 from CHO cells
50037007	3	ChEMBL_149483 (CHEMBL758074)	Binding affinity towards mu-opioid receptor from CHO cells
50037008	1	ChEMBL_210587 (CHEMBL817553)	Binding affinity was determined against bovine thrombin.
50037008	2	ChEMBL_208322 (CHEMBL812840)	Binding affinity was determined against human thrombin
50037009	1	ChEMBL_222291 (CHEMBL823051)	Test in vitro, for potential ability to displace [3H]1 from PBR in rat brain cortex
50037010	1	ChEMBL_63965 (CHEMBL677434)	Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate
50037011	1	ChEMBL_197663 (CHEMBL872602)	Inhibitory activity evaluated against chymase from human heart.
50037011	2	ChEMBL_197664 (CHEMBL807473)	inhibitory activity was evaluated against chymase from human heart.
50037011	3	ChEMBL_49621 (CHEMBL660459)	Inhibitory activity against alpha chymotrypsin from bovine pancreas.
50037011	4	ChEMBL_49620 (CHEMBL872480)	Inhibitory activity against alpha chymotrypsin from bovine pancreas.
50037011	5	ChEMBL_216698 (CHEMBL820310)	Inhibitory activity against human cathepsin G
50037011	6	ChEMBL_217038 (CHEMBL821572)	Inhibitory activity against canine skin chymase
50037011	7	ChEMBL_197665 (CHEMBL807474)	Inhibitory activity against rat peritoneal chymase
50037011	8	ChEMBL_217040 (CHEMBL821574)	Inhibitory activity against mouse peritoneal chymase
50037011	9	ChEMBL_49624 (CHEMBL663104)	inhibitory activity against alpha chymotrypsin from bovine pancreas.
50037012	1	ChEMBL_197662 (CHEMBL807472)	In vitro inhibitory activity was determined against human heart chymase
50037012	2	ChEMBL_49619 (CHEMBL660458)	In vitro inhibitory activity was determined against bovine pancreas chymotrypsin
50037012	3	ChEMBL_216699 (CHEMBL820311)	Inhibitory activity against human cathepsin G
50037012	4	ChEMBL_217039 (CHEMBL821573)	Inhibitory activity against canine skin chymase
50037012	5	ChEMBL_197666 (CHEMBL807475)	Inhibitory activity against rat peritoneal chymase
50037012	6	ChEMBL_217041 (CHEMBL821575)	Inhibitory activity against mouse peritoneal chymase
50037013	1	ChEMBL_200699 (CHEMBL872701)	Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-3 receptor expressed on CHO cells
50037013	3	ChEMBL_200679 (CHEMBL807091)	Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-2 receptor expressed on CHO cells
50037013	2	ChEMBL_200541 (CHEMBL805045)	Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-1 receptor expressed on CHO cells
50037013	4	ChEMBL_200860 (CHEMBL807069)	Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-5 receptor expressed on CHO cells
50037013	5	ChEMBL_200842 (CHEMBL807052)	Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-4 receptor expressed on CHO cells
50000618	6	ChEMBL_1687084 (CHEMBL4037563)	Agonist activity at CCR5 (unknown origin)
50000618	7	ChEMBL_1687085 (CHEMBL4037564)	Agonist activity at CCR6 (unknown origin)
50000618	43	ChEMBL_1687107 (CHEMBL4037586)	Antagonist activity at CMKLR1 (unknown origin)
50037014	4	ChEMBL_218121 (CHEMBL822410)	In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.
50037014	6	ChEMBL_218111 (CHEMBL822473)	In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor
50000618	16	ChEMBL_1687097 (CHEMBL4037576)	Agonist activity at CXCR7 (unknown origin)
50000618	27	ChEMBL_1687112 (CHEMBL4037591)	Antagonist activity at CXCR5 (unknown origin)
50000618	44	ChEMBL_1687083 (CHEMBL4037562)	Agonist activity at CCR4 (unknown origin)
50000618	31	ChEBML_1687104	Antagonist activity at CCR7 (unknown origin)
50000618	33	ChEBML_1687095	Agonist activity at CXCR5 (unknown origin)
50000618	34	ChEBML_1687081	Agonist activity at CCR2 (unknown origin)
50000618	35	ChEBML_1687084	Agonist activity at CCR5 (unknown origin)
50000618	36	ChEBML_1687106	Antagonist activity at CCR9 (unknown origin)
50000618	45	ChEMBL_1687109 (CHEMBL4037588)	Antagonist activity at CXCR1 (unknown origin)
50000619	4	ChEMBL_1687438 (CHEMBL4037917)	Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPilight pyrophosphate-detection based assay
50000619	1	ChEMBL_1687449 (CHEMBL4037928)	Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC after 60 mins by cellular thermal shift assay
50037015	1	ChEMBL_149629 (CHEMBL756697)	Displacement of [3H]DAMGO at mu-opioid receptor
50037015	2	ChEMBL_146373 (CHEMBL754730)	Displacement of [3H]U-69593 at opioid receptor kappa 1
50037015	3	ChEMBL_146236 (CHEMBL755004)	Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1
50037015	4	ChEMBL_146318 (CHEMBL758108)	Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on delta-opioid receptor
50037015	5	ChEMBL_146322 (CHEMBL757531)	Displacement of [3H]DADLE at delta-opioid receptor
50037015	6	ChEMBL_149626 (CHEMBL758050)	Antagonist activity of compound on agonist stimulated [35S]GTP-gamma-S binding on mu-opioid receptor
50037015	7	ChEMBL_149625 (CHEMBL758049)	Antagonist activity of compound on DAMGO stimulated [35S]GTP-gamma-S binding to mu-opioid receptor
50037015	8	ChEMBL_146317 (CHEMBL758864)	Antagonist activity of compound on SNC 80 stimulated [35S]GTP-gamma-S binding to delta-opioid receptor
50000619	2	ChEBML_1687437	Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetry assay
50000619	3	ChEMBL_1687437 (CHEMBL4037916)	Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetry assay
50000620	4	ChEMBL_1687455 (CHEMBL4037934)	Antagonist activity at human TLR4 expressed in mouse RAW blue cells assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP production preincubated for 30 mins followed by LPS addition measured after 16 hrs by NF-kappaB reporter gene assay
50000620	1	ChEMBL_1687454 (CHEMBL4037933)	Antagonist activity at human TLR4 expressed in HEK blue cells assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP production preincubated for 30 mins followed by LPS addition measured after overnight incubation in absence of light by NF-kappaB reporter gene assay
50000620	2	ChEBML_1687453	Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay
50000621	9	ChEMBL_1687468 (CHEMBL4037947)	Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as substrate in presence of NAD+ by fluorescence assay
50000621	1	ChEBML_1687482	Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(Succinyl)-AMC substrate after 2 hrs by fluorescence assay
50037017	5	ChEMBL_147721 (CHEMBL759191)	Antagonist activity against Turkey erythrocyte P2Y purinoceptor 1 (P2Y1) by the compound is measured
50037018	1	ChEMBL_63579 (CHEMBL677513)	Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes
50037019	1	ChEMBL_158769 (CHEMBL772930)	Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay
50037020	1	ChEMBL_147744 (CHEMBL753284)	Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 2
50037020	2	ChEMBL_162517 (CHEMBL766763)	Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes
50037020	3	ChEMBL_147577 (CHEMBL750155)	Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor
50037020	4	ChEMBL_147734 (CHEMBL759351)	Agonist activity by measuring inositol phosphate accumulation in 1321N1 human astrocytoma cells stably expressing human P2Y purinoceptor 11
50037021	1	ChEMBL_89812 (CHEMBL697550)	Inhibition of human inosine-5'-monophosphate dehydrogenase 2
50037022	1	ChEMBL_40430 (CHEMBL876526)	Displacement of [3H]BK (1 nM) from human Bradykinin receptor B2 expressed in Cos-7 cells
50037022	2	ChEMBL_40444 (CHEMBL652383)	Inhibition of specific binding of [3H]-BK (1 nM) to rat Bradykinin receptor B2 by 50% in NG108-15 cell membranes
50037023	1	ChEMBL_162252 (CHEMBL770119)	Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) dephosphorylation of insulin receptor peptide
50037024	1	ChEMBL_213569 (CHEMBL874091)	Inhibitory conc. against Vesicular glutamate transporter (VGLUT), derived from Lineweaver-Burke analysis
50037024	2	ChEMBL_213566 (CHEMBL816123)	Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.
50037024	3	ChEMBL_213568 (CHEMBL816125)	Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation
50037024	4	ChEMBL_213564 (CHEMBL816121)	Compound was evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.
50037024	5	ChEMBL_213567 (CHEMBL816124)	Compound was evaluated for the inhibition of Vesicular glutamate transporter (VGLUT)
50037024	6	ChEMBL_213565 (CHEMBL816122)	Compound was evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported,.using Cheng-Prushoff equation
50037025	1	ChEMBL_65279 (CHEMBL676603)	Displacement of radioligand from human ER beta
50037025	4	ChEMBL_71396 (CHEMBL681748)	Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor
50037025	3	ChEMBL_71395 (CHEMBL681747)	Displacement of 10 nM [3H]dexamethasone from human Glucocorticoid receptor
50037025	5	ChEMBL_159546 (CHEMBL765662)	Displacement of radioligand from human Progesterone receptor
50037025	6	ChEMBL_36271 (CHEMBL648838)	Displacement of [3H]DHT from human Androgen receptor
50037025	7	ChEMBL_67515 (CHEMBL682299)	Displacement of radioligand from human Estrogen receptor alpha
50037025	8	ChEMBL_159547 (CHEMBL765663)	Displacement of radioligand from human Progesterone receptor
50037026	1	ChEMBL_68553 (CHEMBL676976)	Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes
50037027	1	ChEMBL_210588 (CHEMBL817554)	Binding affinity against bovine Thrombin
50037027	2	ChEMBL_153835 (CHEMBL757021)	Binding affinity against penicillopepsin
50037027	3	ChEMBL_212197 (CHEMBL817760)	Binding affinity against bovine trypsin
50037027	4	ChEMBL_72301 (CHEMBL688459)	Compound was tested for binding affinity against Glutamine synthetase
50037027	5	ChEMBL_208348 (CHEMBL813658)	Binding affinity against human thrombin
50037027	6	ChEMBL_29917 (CHEMBL641280)	Binding affinity against Adipocyte lipid binding protein
50037027	7	ChEMBL_153837 (CHEMBL757023)	Binding affinity against penicillopepsin at pH 4.5
50037027	8	ChEMBL_197598 (CHEMBL803023)	Binding affinity against saccharopepsin
50037027	9	ChEMBL_153836 (CHEMBL757022)	Binding affinity against penicillopepsin at pH 3.5
50037027	10	ChEMBL_153838 (CHEMBL757024)	Binding affinity against penicillopepsin at pH 5.5
50037027	11	ChEMBL_47248 (CHEMBL656654)	Compound was tested for binding affinity against Cathepsin
50037027	12	ChEMBL_211944 (CHEMBL816360)	Binding affinity against Triosephosphate isomerase
50037028	1	ChEMBL_49312 (CHEMBL663411)	Inhibitory constant against human coagulation factor Xa (fXa)
50037028	2	ChEMBL_212325 (CHEMBL818251)	Inhibitory constant against bovine trypsin for general specificity against serine proteases
50037028	3	ChEMBL_48316 (CHEMBL658079)	Inhibitory constant against human coagulation factor II (thrombin) for selectivity within coagulation cascade
50037029	1	ChEMBL_148715 (CHEMBL755978)	Binding affinity towards Opioid receptor mu 1 by displacing [3H]DAMGO in rat brain membranes.
50037029	2	ChEMBL_148694 (CHEMBL751067)	Inhibitory activity against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membranes
50037030	1	ChEMBL_149044 (CHEMBL762237)	Binding affinity for human oxytocin receptor
50037030	2	ChEMBL_214413 (CHEMBL820277)	Binding affinity for human Vasopressin V1a receptor
50037030	3	ChEMBL_214719 (CHEMBL873236)	Binding affinity towards human Vasopressin V2 receptor
50037030	4	ChEMBL_214573 (CHEMBL821092)	Binding affinity towards human Vasopressin V1b receptor
50037031	1	ChEMBL_106519 (CHEMBL713023)	Effective concentration against human melanocortin 5 receptor (hMC5R) in HEK293 cells
50000621	2	ChEMBL_1687475 (CHEMBL4037954)	Binding affinity to human N-terminal biotinylated SIRT5 by surface plasmon resonance spectroscopy
50000621	3	ChEMBL_1687479 (CHEMBL4037958)	Inhibition of human SIRT5
50000621	6	ChEMBL_1687483 (CHEMBL4037962)	Inhibition of human SIRT5 using H3K9 succinyl peptide as substrate after 5 mins by HPLC method
50037031	4	ChEMBL_104236 (CHEMBL712742)	Inhibition of binding to human Melanocortin-4 receptor (hMC4R)
50000621	7	ChEMBL_1687484 (CHEMBL4037963)	Inhibition of human SIRT5 using CPS1 peptide as substrate after 180 mins by HPLC method
50000621	4	ChEMBL_1687480 (CHEMBL4037959)	Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as substrate in presence of NAD+ by fluorescence assay
50000621	5	ChEMBL_1687481 (CHEMBL4037960)	Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 mins
50000621	8	ChEMBL_1687482 (CHEMBL4037961)	Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(Succinyl)-AMC substrate after 2 hrs by fluorescence assay
50037031	7	ChEMBL_106520 (CHEMBL713024)	Effective concentration against human melanocortin 5 receptor (hMC5R) in HEK293 cells
50000622	5	ChEMBL_1687500 (CHEMBL4037979)	Inhibition of human ERG
50000628	2	ChEMBL_1687602 (CHEMBL4038081)	Inhibition of recombinant human PDE4B1 expressed in African green monkey COS7 cells using cAMP as substrate
50000622	2	ChEBML_1687487	Inhibition of recombinant human MAGL using fluorogenic-7HCA as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50037032	1	ChEMBL_197350 (CHEMBL800529)	Inhibitory constant for S-adenosyl-homocysteine hydrolase, was determined using Kitz and Wilson equation {Kobs = Kinact. [I]/(Ki + [I])}.
50037033	1	ChEMBL_169 (CHEMBL615381)	Inhibitory activity against soybean 1-lipoxygenase (SLO)
50037033	2	ChEMBL_209 (CHEMBL615243)	Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)
50037033	3	ChEMBL_20 (CHEMBL615134)	Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)
50037034	1	ChEMBL_201420 (CHEMBL810653)	Binding affinity to Sigma opioid receptor type 1 sites in guinea pig brain membranes at 0.1 uM of BNIT
50037034	2	ChEMBL_201422 (CHEMBL810655)	Binding constant (Kd) for [3H]-DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 200 nM concentration of the compound
50037034	3	ChEMBL_201421 (CHEMBL810654)	Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 1 uM BNIT
50037034	4	ChEMBL_201423 (CHEMBL810656)	Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 5 uM BNIT
50037035	1	ChEMBL_106825 (CHEMBL717666)	In vitro activation of mouse recombinant Melanocortin-1 receptor.
50037035	2	ChEMBL_106839 (CHEMBL715425)	In vitro activation of mouse recombinant Melanocortin-3 receptor.
50037035	3	ChEMBL_104252 (CHEMBL714370)	In vitro activation of mouse recombinant Melanocortin-4 receptor.
50037035	4	ChEMBL_104263 (CHEMBL711700)	In vitro activation of mouse recombinant Melanocortin-5 receptor.
50037035	5	ChEMBL_106843 (CHEMBL715429)	Agonist activity of compound in mouse Melanocortin-3 receptor (mMC3R)
50037036	1	ChEMBL_148240 (CHEMBL753400)	Inhibition of [3H]- diprenorphine binding on Opioid receptor mu 1 expressed in human embryonic kidney (HEK) cells
50037037	1	ChEMBL_221654 (CHEMBL823231)	Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase
50037038	1	ChEMBL_141044 (CHEMBL746892)	In vitro inhibition of acid induced swelling in rat platelets by 50% as a measure of NHE-1 inhibition
50037039	1	ChEMBL_60235 (CHEMBL671417)	In vitro binding affinity at human Dopamine receptor D2 expressed in CHO K1 cells was measured by its ability to displace [3H]- N-0437
50037039	2	ChEMBL_62294 (CHEMBL872893)	In vitro binding affinity at human Dopamine receptor D3 expressed in CHO K1 cells was measured by its ability to displace [3H]spiperone
50037040	1	ChEMBL_106841 (CHEMBL715427)	Agonist activity to the mouse Melanocortin-3 receptor (mMC3R)
50037040	2	ChEMBL_106826 (CHEMBL717667)	Agonist activity to the mouse Melanocortin-1 receptor (mMC1R)
50037040	3	ChEMBL_104253 (CHEMBL714371)	Agonist activity to the mouse Melanocortin-4 receptor (mMC4R)
50037040	4	ChEMBL_106844 (CHEMBL713185)	Binding constant (Ki) at mouse Melanocortin-3 receptor
50037040	5	ChEMBL_104264 (CHEMBL711701)	Agonist activity towards mouse Melanocortin-5 receptor (mMC5R)
50000622	3	ChEBML_1687489	Inhibition of recombinant human FAAH using fluorogenic arachidonoyl-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50037040	6	ChEMBL_104254 (CHEMBL714372)	Agonist activity of compound towards mouse Melanocortin-4 receptor (mMC4R); partial agonist
50037041	2	ChEMBL_201805 (CHEMBL881553)	Inhibition of high affinity uptake of [3H]5-HT by serotonin transporter in nerve endings obtained from rat brain.
50037041	1	ChEMBL_142636 (CHEMBL746904)	Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain.
50037041	3	ChEMBL_62330 (CHEMBL674269)	Inhibition of high affinity uptake of [3H]-DA by dopamine transporter in nerve endings obtained from rat brain.
50037041	4	ChEMBL_62320 (CHEMBL674259)	373 Ability to inhibit high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in dopamine transporter
50000622	4	ChEBML_1687499	Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as induction of cAMP after 20 mins by HTRF assay
50000627	1	ChEBML_1687537	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50037042	1	ChEMBL_105712 (CHEMBL719079)	Inhibition of binding to rat mGluR1a (metabotropic glutamate receptor) expressed in HEK-293 cells
50037042	2	ChEMBL_106056 (CHEMBL718222)	Binding affinity at Metabotropic glutamate receptor 2
50037042	3	ChEMBL_106687 (CHEMBL714668)	Binding affinity at Metabotropic glutamate receptor 4
50037043	1	ChEMBL_88611 (CHEMBL701715)	Inhibitory effect on strand transfer of proximal DNA into host DNA in an extracellular HIV-1 integrase assay
50037043	2	ChEMBL_88613 (CHEMBL701717)	Inhibitory effect on strand transfer of proximal DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 2
50037043	3	ChEMBL_88608 (CHEMBL873101)	Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV-1 integrase assay
50037043	4	ChEMBL_88612 (CHEMBL701716)	Inhibitory effect on strand transfer of proximal DNA into host DNA in an extracellular HIV-1 integrase assay in experiment 1
50037043	5	ChEMBL_88609 (CHEMBL701713)	Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV-1 integrase assay in experiment 1
50037043	6	ChEMBL_88610 (CHEMBL701714)	Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV-1 integrase assay in experiment 2
50037044	1	ChEMBL_144175 (CHEMBL749556)	Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7
50037045	3	ChEMBL_30293 (CHEMBL639463)	Receptor-stimulated activity in CHO cells stably transfected with Human recombinant Adenosine A2B receptor using [3H]NECA as radioligand
50000627	2	ChEBML_1687538	Inhibition of recombinant human wild type GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50037045	2	ChEMBL_31705 (CHEMBL644949)	Binding affinity against Human recombinant Adenosine A3 receptor stably transfected in CHO cells using [3H]NECA as radioligand
50037045	4	ChEMBL_31355 (CHEMBL644647)	Binding affinity against Human recombinant Adenosine A2A receptor stably transfected in CHO cells using [3H]NECA as radioligand
50000627	3	ChEBML_1687546	Inhibition of recombinant human His-tagged FLT3 (564 to 958 residues) expressed in baculovirus using poly (Glu,Tyr) as substrate after 2 hrs by PK-Light ATP assay
50000627	4	ChEBML_1687547	Inhibition of recombinant cytoplasmic human His-tagged KIT expressed in baculovirus using Ser/Thr 6 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50000627	5	ChEBML_1687548	Inhibition of recombinant cytoplasmic human GST-tagged PDGFRalpha expressed in baculovirus using poly (4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-Glo assay
50000627	6	ChEBML_1687553	Inhibition of cytoplasmic recombinant human His-tagged FGFR4 (781 to 1338 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50000627	7	ChEBML_1687552	Inhibition of cytoplasmic recombinant human His-tagged FGFR3 (399 to 806 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50000627	8	ChEBML_1687550	Inhibition of cytoplasmic recombinant human His-tagged FGFR1 (308 to 731 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50037045	1	ChEMBL_27569 (CHEMBL643491)	Binding affinity against Human recombinant Adenosine A1 receptor stably transfected in CHO cells using [3H]CCPA as radioligand
50037046	1	ChEMBL_205193 (CHEMBL812008)	Inhibition of Steroid 5-alpha-reductase type I from rat ventral prostate (RVP)
50037046	2	ChEMBL_205054 (CHEMBL810248)	Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)
50037046	3	ChEMBL_204902 (CHEMBL809738)	In vitro inhibitory activity against Steroid 5-alpha-reductase type 2 of human benign prostatic hyperplasia (BPH) tissue
50037046	4	ChEMBL_205035 (CHEMBL812394)	Inhibition of Steroid 5-alpha-reductase type 2 from human benign prostatic hyperplasia (BPH) tissue
50037046	5	ChEMBL_205060 (CHEMBL810254)	In vitro inhibitory activity against Steroid 5-alpha-reductase type I of human DU 145 prostatic tumor cell line
50037046	6	ChEMBL_205194 (CHEMBL812009)	In vitro inhibitory activity against Steroid 5-alpha-reductase type I of rat ventral prostate (RVP)
50037047	1	ChEMBL_28987 (CHEMBL636765)	Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membrane
50037047	2	ChEMBL_32152 (CHEMBL646279)	Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membrane
50037047	3	ChEMBL_4793 (CHEMBL618338)	Inhibition against A2A-Adenosine Receptor of rat PC12 cell membranes (functional antagonist activity)
50037047	4	ChEMBL_29613 (CHEMBL642895)	Inhibition against Adenosine A1 receptor of rat fat cell membranes (functional antagonist activity)
50037047	5	ChEMBL_31709 (CHEMBL644953)	Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand
50037047	6	ChEMBL_4798 (CHEMBL618343)	Inhibition against A2B-Adenosine Receptor in mouse NIH 3T3 fibroblast cell membranes (functional antagonist activity)
50000627	9	ChEBML_1687549	Inhibition of recombinant human PDGFRbeta expressed in baculovirus using poly (4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-Glo assay
50037048	1	ChEMBL_217798 (CHEMBL824058)	Ability to block alphaL-beta2 integrin binding to ICAM-1
50037048	2	ChEMBL_217474 (CHEMBL819917)	Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA format
50037048	3	ChEMBL_217627 (CHEMBL820370)	Ability to block the alpha5-beta1 integrin binding to fibronectin
50037048	4	ChEMBL_218207 (CHEMBL881548)	Inhibition of alpha IIb beta3 integrin binding to fibrinogen
50000627	10	ChEBML_1687551	Inhibition of cytoplasmic recombinant human His-tagged FGFR2 (403 to 822 residues) expressed in baculovirus using tyr4 peptide as substrate after 1 hr by FRET-based Z'-Lyte assay
50000628	1	ChEBML_1687585	Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by scintillation proximity assay
50000630	26	ChEMBL_1687677 (CHEMBL4038156)	Inhibition of plasma kallikrein in human plasma using HMWK as substrate assessed as suppression of kaolin-activated protein induced bradykinin release preincubated for 15 mins followed by substrate addition measured after 15 min by ELISA
50037050	1	ChEMBL_146890 (CHEMBL751665)	Ability to displace [3H]DADLE from Opioid receptor delta 1 of rat brain
50037050	2	ChEMBL_148836 (CHEMBL753954)	Ability to displace [3H]DAMGO from Opioid receptor mu 1 of rat brain
50037050	3	ChEMBL_146227 (CHEMBL754996)	Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain
50037050	4	ChEMBL_146228 (CHEMBL754997)	Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain
50037050	5	ChEMBL_146891 (CHEMBL882036)	Ability to displace [3H]DADLE from Opioid receptor delta 1 of rat brain
50037051	1	ChEMBL_69698 (CHEMBL682033)	Effective concentration against Farnesoid X receptor (FXR)
50037052	1	ChEMBL_45076 (CHEMBL657147)	Inhibitory activity against human Carbonic anhydrase II (hCA II)
50037052	2	ChEMBL_47512 (CHEMBL657822)	Inhibitory activity against human Carbonic anhydrase I (hCA I)
50037053	1	ChEBML_158654	Inhibition of wild type Platelet-derived growth factor receptor beta phosphorylation in CHO cells
50037053	2	ChEBML_158682	Inhibition of chimeric PDGF receptor with FLT-3 cytoplasmic domain phosphorylation in CHO cells
50037053	9	ChEBML_158683	Inhibition of chimeric PDGF receptor with c-kit cytoplasmic domain phosphorylation in CHO cells
50000628	3	ChEMBL_1687603 (CHEMBL4038082)	Inhibition of recombinant human PDE4B2 expressed in African green monkey COS7 cells using cAMP as substrate
50037053	11	ChEMBL_214240 (CHEMBL819558)	Inhibition of Vascular endothelial growth factor receptor 2
50000629	1	ChEBML_1687628	Inhibition of atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay
50037053	12	ChEMBL_68357 (CHEMBL679499)	Inhibition of Flt3/ITD mutant expressed in hematopoietic cells or AML cell lines; range = 30-100 nM
50037053	14	ChEBML_67211	Inhibition of epidermal growth factor receptor
50037053	15	ChEMBL_67211 (CHEMBL678296)	Inhibition of epidermal growth factor receptor
50037053	16	ChEMBL_202771 (CHEMBL808767)	Inhibition of Src protein tyrosine kinase
50000629	2	ChEMBL_1687642 (CHEMBL4038121)	Inhibition of atorvastatin PEG-fluorescein binding to PDEdelta (unknown origin) by fluorescence polarization assay
50037053	17	ChEBML_158680	Inhibition of chimeric PDGF receptor with CSF-1R cytoplasmic domain phosphorylation in CHO cells
50037053	19	ChEBML_90257	Inhibition of insulin receptor
50000630	1	ChEBML_1687727	Inhibition of human factor 7a using fluorogenic peptide as substrate by fluorescence based assay
50000630	2	ChEBML_1687667	Inhibition of recombinant human alpha thrombin using fluorogenic peptide as substrate by fluorescence based assay
50000630	3	ChEBML_1687663	Inhibition of recombinant human C-terminal 10His-tagged KLK12 (18 to 248 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide as substrate by fluorescence based assay
50000630	4	ChEBML_1687660	Inhibition of recombinant human C-terminal 10His-tagged KLK2 (1 to 261 residues) expressed in mouse NS0 cells using fluorogenic PFR-AMC peptide as substrate after 5 mins by fluorescence based assay
50000630	5	ChEBML_1687669	Inhibition of recombinant human C-terminal 10His-tagged factor Xa (24 to 488 residues) expressed in baculovirus derived insect sf21 cells using fluorogenic Mca-RPKPVE-Nval-WRK(Dnp)-NH2 peptide as substrate by fluorescence based assay
50000630	6	ChEMBL_1687670 (CHEMBL4038149)	Inhibition of human factor 11a using fluorogenic peptide as substrate by fluorescence based assay
50000630	7	ChEBML_1687643	Inhibition of human factor 12a using fluorogenic peptide as substrate by fluorescence based assay
50000630	8	ChEBML_1687666	Inhibition of recombinant human plasmin using fluorogenic D-AFK-ANSNH-iC4H9.2HBr peptide as substrate by fluorescence based assay
50000630	9	ChEBML_1687665	Inhibition of recombinant human C-terminal 10His-tagged KLK14 (19 to 248 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide as substrate by fluorescence based assay
50000630	10	ChEBML_1687664	Inhibition of recombinant human C-terminal polyHis-tagged KLK13 (1 to 262 residues) expressed in HEK293 cells using fluorogenic Boc-VPR-AMC peptide as substrate by fluorescence based assay
50000630	11	ChEBML_1687661	Inhibition of recombinant human C-terminal His-tagged KLK6 isoform 1 (1 to 244 residues) expressed in HEK293 cells using fluorogenic Boc-QARAMC peptide as substrate by fluorescence based assay
50000630	12	ChEBML_1687662	Inhibition of recombinant human C-terminal 10His-tagged KLK5 (67 to 293 residues) expressed in mouse NS0 cells using fluorogenic Boc-VPR-AMC peptide as substrate after 5 mins by fluorescence based assay
50000630	13	ChEBML_1687659	Inhibition of recombinant human C-terminal His-tagged KLK1 (1 to 262 residues) expressed in HEK293 cells using fluorogenic PFR-AMC peptide as substrate by fluorescence based assay
50000630	14	ChEBML_1687668	Inhibition of recombinant human Cathepsin-G
50000630	15	ChEMBL_1687646 (CHEMBL4038125)	Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate addition measured by fluorescence-based assay
50000630	16	ChEBML_1687651	Inhibition of pig plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate addition measured by fluorescence-based assay
50037054	1	ChEMBL_190 (CHEMBL615226)	Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2
50037054	2	ChEMBL_188 (CHEMBL615224)	In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)
50037054	3	ChEMBL_187 (CHEMBL615223)	In vitro inhibitory activity against human 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)
50037054	4	ChEMBL_189 (CHEMBL615225)	In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA).
50037055	1	ChEMBL_79533 (CHEMBL691014)	K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1
50037055	2	ChEMBL_219494 (CHEMBL822598)	K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1
50037055	3	ChEMBL_144905 (CHEMBL749472)	K+ channel blocking activity in neuroblastoma cells expressing HERG Kv11.1
50037055	4	ChEMBL_43830 (CHEMBL656604)	K+ channel blocking activity in COS-7 African green monkey kidney derived cells expressing HERG Kv11.1
50037055	5	ChEMBL_49082 (CHEMBL662311)	K+ channel blocking activity in Chinese hamster ovary cells expressing HERG Kv11.1
50037056	2	ChEMBL_45525 (CHEMBL661863)	The compound was evaluated for its inhibitory activity against cathepsin G using selectivity assay
50000630	17	ChEBML_1687649	Inhibition of recombinant Sprague-Dawley rat plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate addition measured by fluorescence-based assay
50037056	6	ChEMBL_225800 (CHEMBL845148)	The compound was evaluated for its inhibitory activity against trypsin using selectivity assay
50037056	7	ChEMBL_49927 (CHEMBL664296)	The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay
50037056	9	ChEMBL_49927 (CHEMBL664296)	The compound was evaluated for its inhibitory activity against Chymotrypsinogen using selectivity assay
50000630	18	ChEBML_1687648	Inhibition of recombinant mouse C-terminal 6His-tagged plasma kallikrein (20 to 638 residues) using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate addition measured by fluorescence-based assay
50000630	19	ChEBML_1687671	Inhibition of human activated protein C by fluorescence based assay
50000630	20	ChEBML_1687672	Inhibition of recombinant human N-terminal 6His-tagged matriptase catalytic domain (596 to 855 residues) expressed in Escherichia coli using fluorogenic Boc-QAR-AMC peptide as substrate after 5 mins by fluorescence based assay
50000630	21	ChEBML_1687673	Inhibition of recombinant human C-terminal 6His-tagged complement component C1s (1 to 688 residues) expressed in mouse NS0 cells using fluorogenic Z-Lys-SBzl peptide as substrate after 5 mins by fluorescence based assay
50037057	1	ChEMBL_154482 (CHEMBL882313)	The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase
50037057	2	ChEMBL_154478 (CHEMBL765616)	Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomerases) assay
50000630	22	ChEBML_1687674	Inhibition of recombinant human Granzyme B (21 to 247 residues) using fluorogenic Ac-IEPD-pNA peptide as substrate by fluorescence based assay
50037057	3	ChEMBL_154481 (CHEMBL857600)	The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase
50037058	1	ChEMBL_209569 (CHEMBL811271)	Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
50037058	2	ChEMBL_209193 (CHEMBL817321)	Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells
50037058	3	ChEMBL_209192 (CHEMBL873988)	Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells
50037058	4	ChEMBL_209570 (CHEMBL811272)	Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells
50037058	5	ChEMBL_205883 (CHEMBL872713)	Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells
50000630	24	ChEMBL_1687679 (CHEMBL4038158)	Inhibition of human plasma kallikrein spiked in pig vitreous using HMWK as substrate assessed as suppression of bradykinin release preincubated for 15 mins followed by substrate addition measured after 15 mins by ELISA
50000630	25	ChEBML_1687723	Inhibition of factor 11a (unknown origin)
50037059	1	ChEMBL_83652 (CHEMBL694881)	In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells
50037059	2	ChEMBL_86900 (CHEMBL698410)	In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex
50037059	3	ChEMBL_83653 (CHEMBL694882)	In vitro inhibition of binding of [125I]iodoproxyfan against human Histamine H3 receptor stably transfected on CHO-K1 cells
50037060	1	ChEMBL_142624 (CHEMBL882167)	50% Inhibition against Norepinephrine transporter in rat cerebral cortex by displacing [3H]nisoxetine radioligand
50000631	3	ChEMBL_1687738 (CHEMBL4038217)	Displacement of fluormone VDR red from human full length VDR after 4 hrs by fluorescence polarization assay
50037060	4	ChEMBL_201501 (CHEMBL805629)	50% Inhibition against Serotonin transporter in rat midbrain tissue by displacing [3H]paroxetine radioligand
50037060	2	ChEMBL_61823 (CHEMBL672587)	50% Inhibition against dopamine transporter (DAT) in rat striatal tissue by displacing [3H]WIN-35428 radioligand
50000631	1	ChEMBL_1687736 (CHEMBL4038215)	Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT assay
50037060	3	ChEMBL_142645 (CHEMBL747096)	Tested for the binding affinity towards Norepinephrine transporter in rat cerebral cortex by displacing [3H]nisoxetine radioligand
50000631	2	ChEBML_1687738	Displacement of fluormone VDR red from human full length VDR after 4 hrs by fluorescence polarization assay
50037060	5	ChEMBL_202136 (CHEMBL808125)	Tested for the binding affinity towards Serotonin transporter in rat midbrain tissue by displacing [3H]paroxetine radioligand
50000632	26	ChEMBL_1687822 (CHEMBL4038392)	Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	1	ChEBML_1687822	Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	7	ChEMBL_1687855 (CHEMBL4038425)	Binding affinity to BRD4 BD2 (E352 to M457 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	16	ChEBML_1687822	Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	17	ChEBML_1687847	Inhibition of human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50000632	21	ChEBML_1687843	Inhibition of human CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50000632	15	ChEBML_1687838	Inhibition of human PCAF (G715 to D831 residues) expressed in mammalian expression system by BROMOscan assay
50000632	9	ChEBML_1687853	Binding affinity to BRD3 BD1-BD2 (P24 to P416 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	11	ChEBML_1687851	Inhibition of human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50000632	8	ChEBML_1687856	Binding affinity to BRDT BD1-BD2 (N21 to P380 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000632	5	ChEBML_1687836	Inhibition of human GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50000632	25	ChEBML_1687849	Inhibition of human WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50000632	20	ChEBML_1687842	Inhibition of human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50000632	18	ChEBML_1687844	Inhibition of human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50000632	6	ChEBML_1687833	Inhibition of human BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50000632	24	ChEBML_1687848	Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50000632	12	ChEBML_1687852	Binding affinity to BRD2 BD1-BD2 (G73 to A560 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50037061	1	ChEMBL_147568 (CHEMBL751765)	Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2)
50037061	2	ChEMBL_149736 (CHEMBL759519)	The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) like receptor from rat vas deferens
50037061	3	ChEMBL_149728 (CHEMBL759511)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )
50000632	2	ChEMBL_1687824 (CHEMBL4038394)	Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene assay
50000632	23	ChEBML_1687841	Inhibition of human TAF1L (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50037061	6	ChEMBL_147407 (CHEMBL750981)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X2) receptor 10 uM
50037061	7	ChEMBL_147417 (CHEMBL750991)	Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5)
50037061	8	ChEMBL_149725 (CHEMBL759508)	The compound was evaluated for antagonist activity against P2X purinoceptor; range 11-54
50037061	10	ChEMBL_149733 (CHEMBL759516)	The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) like receptor from rat vas deferens
50037061	11	ChEMBL_147411 (CHEMBL750985)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 10 uM
50037061	5	ChEMBL_147737 (CHEMBL755048)	The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11)
50037061	12	ChEMBL_149739 (CHEMBL759522)	The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2 )
50037061	13	ChEMBL_147403 (CHEMBL884064)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes
50037061	14	ChEMBL_149729 (CHEMBL759512)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) at 1 uM, expressed in Xenopus oocytes
50037061	15	ChEMBL_147571 (CHEMBL751768)	The compound was evaluated for antagonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes
50037061	17	ChEMBL_147408 (CHEMBL750982)	Antagonist activity against recombinant human P2X purinoceptor 4 (P2X4)
50037061	19	ChEMBL_149730 (CHEMBL759513)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1)
50000632	14	ChEMBL_1687837 (CHEMBL4038407)	Inhibition of human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50037061	20	ChEMBL_147569 (CHEMBL751766)	The compound was evaluated for antagonistic activity against P2Y purinoceptor 2 (P2Y2)
50037061	21	ChEMBL_147737 (CHEMBL755048)	The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11)
50037061	22	ChEMBL_147874 (CHEMBL756885)	The compound was evaluated for antagonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 4 (P2Y4)
50037061	24	ChEMBL_147414 (CHEMBL750988)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) 3 uM
50037061	25	ChEMBL_147743 (CHEMBL756290)	The compound was evaluated for antagonist activity against platelet P2Y purinoceptor 12 (P2Y12)
50037061	26	ChEMBL_147412 (CHEMBL750986)	Antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) at 3 uM, expressed in Xenopus oocytes
50037061	27	ChEMBL_149740 (CHEMBL759523)	The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2)
50037061	28	ChEMBL_147410 (CHEMBL750984)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 4 (P2X4)
50037061	29	ChEMBL_147405 (CHEMBL750979)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 30 uM, expressed in Xenopus oocytes
50037061	30	ChEMBL_147418 (CHEMBL750992)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 6 (P2X6 )
50000632	3	ChEBML_1687850	Inhibition of human TRIM33-phd-bromo (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50037061	31	ChEMBL_147575 (CHEMBL751772)	The compound was evaluated for antagonistic activity at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli
50037061	32	ChEMBL_147425 (CHEMBL754458)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7)
50037061	33	ChEMBL_149731 (CHEMBL759514)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 1 (P2X1) at 1 uM, expressed in Xenopus oocytes
50037061	34	ChEMBL_149742 (CHEMBL759525)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) at 30 uM
50037061	35	ChEMBL_147396 (CHEMBL751804)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) at 30 uM
50037061	36	ChEMBL_147401 (CHEMBL751809)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 3 uM, expressed in Xenopus oocytes
50037061	37	ChEMBL_149737 (CHEMBL759520)	The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) receptor from rat vas deferens
50037061	38	ChEMBL_147425 (CHEMBL754458)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 7 (P2X7)
50037061	39	ChEMBL_147397 (CHEMBL751805)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) receptor 10 uM
50037061	40	ChEMBL_147742 (CHEMBL756289)	Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12)
50037061	41	ChEMBL_149743 (CHEMBL760168)	The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 10 uM, expressed in Xenopus oocytes
50037061	42	ChEMBL_149735 (CHEMBL759518)	Dissociation constant of the compound at P2X purinoceptor 1 (P2X1) from rat vas deferens was reported
50037061	44	ChEMBL_147414 (CHEMBL750988)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) 3 uM
50037061	45	ChEMBL_147743 (CHEMBL756290)	The compound was evaluated for antagonist activity against platelet P2Y purinoceptor 12 (P2Y12)
50037061	46	ChEMBL_147393 (CHEMBL751802)	The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X4) at 30 uM, expressed in Xenopus oocytes
50000632	19	ChEBML_1687845	Inhibition of human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50037061	48	ChEMBL_149728 (CHEMBL759511)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 )
50037061	49	ChEMBL_147394 (CHEMBL857685)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 2 (P2X2) at 10 uM
50037061	50	ChEMBL_147573 (CHEMBL751770)	Dissociation constant at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli
50037061	52	ChEMBL_149734 (CHEMBL759517)	Dissociation constant at P2X purinoceptor 1 from guinea pig taenia coli
50037061	53	ChEMBL_147419 (CHEMBL750993)	Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 )
50037061	9	ChEMBL_147883 (CHEMBL757045)	The compound was evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 6 (P2Y6)
50037061	55	ChEMBL_147392 (CHEMBL751112)	The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 30 uM, expressed in Xenopus oocytes
50037061	56	ChEMBL_147574 (CHEMBL751771)	Dissociative constant at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli
50037061	57	ChEMBL_147400 (CHEMBL751808)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 3 (P2X3 )
50037061	58	ChEMBL_147406 (CHEMBL750980)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X2) 10 uM, expressed in Xenopus oocytes
50000632	22	ChEBML_1687840	Inhibition of human TRIM24-phd-bromo (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50037061	63	ChEMBL_149743 (CHEMBL760168)	The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 10 uM, expressed in Xenopus oocytes
50037061	66	ChEMBL_147416 (CHEMBL750990)	The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 5 (P2X5)
50037061	64	ChEMBL_147578 (CHEMBL750156)	Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of human erythrocytes
50000632	10	ChEMBL_1687854 (CHEMBL4038424)	Binding affinity to BRD4 BD1 (K57 to E168 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50037061	67	ChEMBL_147404 (CHEMBL750978)	The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 3 uM, expressed in Xenopus oocytes
50037061	68	ChEMBL_147570 (CHEMBL751767)	Dissociative constant against P2Y purinoceptor (P2Y) was reported; range 10-214
50037061	59	ChEMBL_147881 (CHEMBL757043)	The compound was evaluated for antagonist activity against phospholipase C coupled recombinant rat P2Y purinoceptor 4 (P2Y4)
50000632	13	ChEBML_1687839	Inhibition of human SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50037061	70	ChEMBL_147880 (CHEMBL757042)	The compound was evaluated for agonist activity against phospholipase C coupled recombinant rat P2Y purinoceptor 4 (P2Y4)
50037061	71	ChEMBL_149739 (CHEMBL759522)	The compound was evaluated for antagonist activity against recombinant human receptor P2X purinoceptor 2 (P2X2 )
50000632	4	ChEBML_1687835	Inhibition of human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50037063	1	ChEMBL_61826 (CHEMBL672590)	Ability to displace [3H]WIN-35428 from Dopamine Transporter of rat striatal membrane
50037063	2	ChEMBL_201343 (CHEMBL807030)	Inhibition of 5-HT uptake in HEK cells expressing human serotonin transporter (hSERT)
50037063	3	ChEMBL_201363 (CHEMBL805346)	Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells
50037063	4	ChEMBL_61494 (CHEMBL672394)	Displacement of [3H]WIN-35428 from Dopamine Transporter of guinea pig striatal membrane
50037063	5	ChEMBL_61524 (CHEMBL675649)	Displacement of [125I]- RTI-55 from Dopamine transporter expressed in HEK cells
50037063	6	ChEMBL_61503 (CHEMBL672997)	Inhibition of dopamine uptake in HEK cells expressing human dopamine transporter (hDAT)
50037063	7	ChEMBL_145000 (CHEMBL756262)	Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)
50037063	8	ChEMBL_145004 (CHEMBL756266)	Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells
50037063	9	ChEMBL_61493 (CHEMBL879868)	Ability to displace [3H]WIN-35428 from Dopamine Transporter in guinea pig striatal membrane
50037063	10	ChEMBL_61523 (CHEMBL675648)	Ability to displace [125I]- RTI-55 binding at the Dopamine transporter site on HEK cells expressing cDNA for the human transporter (hDAT)
50037063	11	ChEMBL_61502 (CHEMBL672996)	Ability to block the uptake of 5-HT at the Dopamine transporter of HEK cells expressing cDNA for the human transporter (hDAT)
50037063	12	ChEMBL_61496 (CHEMBL672990)	Inhibition of [3H]WIN-35428 radioligand binding to the Dopamine Transporter in guinea pig striatal membrane
50037063	13	ChEMBL_142607 (CHEMBL751146)	Ability to displace [125I]- RTI-55 binding at the Norepinephrine transporter site on HEK cells expressing cDNA for the human transporter (hNET)
50037064	1	ChEMBL_210617 (CHEMBL811734)	Inhibitory effect against phosphorylation of [methyl-3H]dThd by Thymidine Kinase 2 (TK-2)
50037064	2	ChEMBL_208016 (CHEMBL814145)	Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU
50037064	3	ChEMBL_208014 (CHEMBL816094)	Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with BVAraU
50037064	5	ChEMBL_208013 (CHEMBL816093)	Compound was evaluated for inhibitory effect against phosphorylation of [methyl-3H]dThd by HSV-1 Thymidine kinase
50037064	4	ChEMBL_81437 (CHEMBL690902)	Inhibitory concentration against HSV-1 TK (A167Y) catalyzed [3H]-GCV phosphorylation
50037064	6	ChEMBL_208015 (CHEMBL814781)	Inhibitory activity against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir
50037064	8	ChEMBL_81438 (CHEMBL690903)	Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation
50037064	7	ChEMBL_81439 (CHEMBL690904)	Inhibitory concentration against HSV-1 TK (WT) catalyzed [3H]-GCV phosphorylation
50037064	9	ChEMBL_208017 (CHEMBL814146)	Inhibitory activity (50 uM) against HSV-1 Thymidine kinase in OST-TK-/HSV-1 TK+ cell line in combination with gancicclovir
50037065	1	ChEMBL_203048 (CHEMBL811392)	Inhibitory activity against purified human steroid sulfatase (STS)
50037066	1	ChEMBL_2928 (CHEMBL617643)	Binding affinities against 5-hydroxytryptamine 2B receptor
50037066	2	ChEMBL_58988 (CHEMBL668653)	Binding affinity against Dopamine receptor D1
50037066	3	ChEMBL_61341 (CHEMBL675958)	Binding affinity towards Dopamine receptor D5
50037066	4	ChEMBL_60992 (CHEMBL872502)	Binding affinity against Dopamine receptor D4
50037066	5	ChEMBL_3674 (CHEMBL620809)	Binding affinities against 5-hydroxytryptamine 6 receptor
50037066	7	ChEMBL_2072 (CHEMBL616716)	Binding affinity towards 5-hydroxytryptamine 1E receptor
50037066	8	ChEMBL_2017 (CHEMBL617312)	Binding affinity towards 5-hydroxytryptamine 1D receptor alpha using [3H]8-OH-DPAT as radioligand
50037066	9	ChEMBL_84875 (CHEMBL694563)	Binding affinity against Histamine H1 receptor
50037066	10	ChEMBL_61287 (CHEMBL670784)	Binding affinity against Dopamine receptor D2
50037066	11	ChEMBL_2820 (CHEMBL617849)	Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI as radioligand
50037066	12	ChEMBL_60992 (CHEMBL872502)	Binding affinity against Dopamine receptor D4
50037066	13	ChEMBL_61287 (CHEMBL670784)	Binding affinity against Dopamine receptor D2
50037066	14	ChEMBL_2930 (CHEMBL617645)	Binding affinity towards 5-hydroxytryptamine 2B receptor using [125I]DOI as radioligand
50037066	15	ChEMBL_927 (CHEMBL615775)	Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50037066	16	ChEMBL_900 (CHEMBL615811)	Binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand
50037066	17	ChEMBL_3789 (CHEMBL872928)	Binding affinities against 5-hydroxytryptamine 7 receptor
50037066	18	ChEMBL_61340 (CHEMBL675957)	Binding affinity against Dopamine receptor D5
50037066	19	ChEMBL_3602 (CHEMBL875092)	Binding affinities against 5-hydroxytryptamine 5A receptor
50037066	20	ChEMBL_2638 (CHEMBL872922)	Binding affinity towards 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand
50037066	21	ChEMBL_2014 (CHEMBL617309)	Binding affinities against  5-hydroxytryptamine 1D receptor alpha
50037066	23	ChEMBL_2016 (CHEMBL617311)	Binding affinities towards 5-hydroxytryptamine 1D receptor alpha
50037066	24	ChEMBL_2930 (CHEMBL617645)	Binding affinity towards 5-hydroxytryptamine 2B receptor using [125I]DOI as radioligand
50037066	25	ChEMBL_3675 (CHEMBL620810)	Binding affinities towards 5-hydroxytryptamine 6 receptor
50037066	26	ChEMBL_58989 (CHEMBL668654)	Binding affinity towards Dopamine receptor D1
50037066	27	ChEMBL_3602 (CHEMBL875092)	Binding affinities against 5-hydroxytryptamine 5A receptor
50037066	28	ChEMBL_2616 (CHEMBL621528)	Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI as radioligand
50037066	29	ChEMBL_62931 (CHEMBL673836)	Binding affinity towards Dopamine receptor D3
50037066	30	ChEMBL_2827 (CHEMBL621513)	Binding affinity towards 5-hydroxytryptamine 2C receptor using [125I]DOI as radioligand
50037066	31	ChEMBL_84875 (CHEMBL694563)	Binding affinity against Histamine H1 receptor
50037066	32	ChEMBL_37684 (CHEMBL647767)	Binding affinity towards Beta-1 adrenergic receptor
50037066	33	ChEMBL_58984 (CHEMBL668649)	Binding affinities towards Dopamine receptor D1
50037066	34	ChEMBL_37683 (CHEMBL647766)	Binding affinity against Beta-1 adrenergic receptor
50037066	35	ChEMBL_3789 (CHEMBL872928)	Binding affinities against 5-hydroxytryptamine 7 receptor
50037066	36	ChEMBL_2014 (CHEMBL617309)	Binding affinities against 5-hydroxytryptamine 1D receptor alpha
50037066	37	ChEMBL_62929 (CHEMBL673834)	Binding affinity against Dopamine receptor D3
50000632	27	ChEMBL_1687848 (CHEMBL4038418)	Inhibition of human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50000634	4	ChEMBL_1687869 (CHEMBL4038439)	Non-competitive inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured at 12 secs interval for 5 mins by Ellman's method
50000634	1	ChEMBL_1687866 (CHEMBL4038436)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured at 12 secs interval for 5 mins by Ellman's method
50000634	2	ChEBML_1687867	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured at 12 secs interval for 5 mins by Ellman's method
50000636	2	ChEMBL_1688103 (CHEMBL4038673)	Non-competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using varying levels of tyramine as substrate pretreated for 30 mins followed by substrate addition measured for 30 mins by Line-weaver burk plot method
50000635	1	ChEBML_1687952	Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using 7-benzyloxy-4-trifluoromethylcoumarin as substrate measured after 45 mins in presence of NADPH by spectrofluorometric method
50000635	2	ChEBML_1687949	Mixed-type inhibition of CYP1A2 in pooled human liver microsomes using varying levels of phenacetin as substrate pretreated for 5 mins followed by substrate addition measured after 30 mins by Line-weaver burk plot analysis
50000636	1	ChEBML_1688101	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate pretreated for 30 mins followed by substrate addition incubated for 30 mins measured at 5 mins interval by horse-radish peroxidase/amplex red-based fluorometric method
50037068	1	ChEMBL_45269 (CHEMBL658221)	Inhibitory effect on bovine Carbonic anhydrase IV
50037068	2	ChEMBL_45048 (CHEMBL658046)	Inhibitory effect on human Carbonic anhydrase II
50037068	3	ChEMBL_47501 (CHEMBL662728)	Inhibitory effect on human carbonic anhydrase I
50037069	1	ChEMBL_58664 (CHEMBL670438)	Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate
50037069	2	ChEMBL_62766 (CHEMBL676293)	Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate
50037069	3	ChEMBL_84715 (CHEMBL881666)	Half-maximal inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat frontal cortex homogenate
50037069	4	ChEMBL_2661 (CHEMBL617910)	Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate
50037069	5	ChEMBL_139076 (CHEMBL745671)	Half-maximal inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 in rat frontal cortex homogenate
50037069	6	ChEMBL_62710 (CHEMBL675803)	Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate
50000639	7	ChEMBL_1688149 (CHEMBL4038719)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50000636	3	ChEBML_1688100	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate pretreated for 30 mins followed by substrate addition incubated for 30 mins measured at 5 mins interval by horse-radish peroxidase/amplex red-based fluorometric method
50037069	8	ChEMBL_84714 (CHEMBL884684)	Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate
50000637	1	ChEBML_1688131	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 min interval for 3 mins by Ellmans method
50037069	7	ChEMBL_62767 (CHEMBL676294)	Half-maximal inhibition of [3H]-spiperone binding to Dopamine receptor D3 in rat tissue homogenate
50000637	2	ChEBML_1688132	Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 min interval for 3 mins by Ellman's method
50037070	3	ChEMBL_28841 (CHEMBL649106)	Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane
50037070	2	ChEMBL_31695 (CHEMBL645776)	Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement.
50037070	5	ChEMBL_32144 (CHEMBL646354)	Displacement of [3H]NECA from Adenosine A2A receptor in rat striatal membrane
50037070	6	ChEMBL_28840 (CHEMBL649105)	Displacement of [3H]CHA from Adenosine A1 receptor in rat cortical membrane
50000638	1	ChEBML_1688140	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed by capsaicin addition by Fluo-4/Pluronic F127 probe based FLIPR method
50037070	7	ChEMBL_31203 (CHEMBL640300)	G-protein activation in human Adenosine A2A receptor expressing CHO cells using cAMP assay
50037070	8	ChEMBL_31696 (CHEMBL645777)	Displacement of [125I]APNEA from human Adenosine A3 receptor expressed in HEK 293 cells
50037070	1	ChEMBL_32145 (CHEMBL646355)	Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.
50037071	1	ChEMBL_2290 (CHEMBL617075)	Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells
50037071	2	ChEMBL_2622 (CHEMBL621534)	Binding affinity for displacement of [3H]ketanserin to rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells
50037071	3	ChEMBL_87873 (CHEMBL697295)	Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells
50037071	4	ChEMBL_2969 (CHEMBL620617)	Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells
50037071	5	ChEMBL_214800 (CHEMBL816205)	Displacement of [3H]-dofetilide to HEK cells stably expressing hERG voltage-gated IKr potassium channel Kv11.1
50037072	1	ChEMBL_124014 (CHEMBL729502)	Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1
50037072	2	ChEMBL_123850 (CHEMBL731425)	Inhibition of MEK1 phosphorylation by activated human recombinant Raf
50037073	1	ChEMBL_71982 (CHEMBL683534)	Inhibition of Geranylgeranyl transferase type I (GGPT I) catalyzed transfer of GGPP to dansyl-GCVLL
50037073	2	ChEMBL_70758 (CHEMBL682845)	Inhibition of Farnesyltransferase catalyzed transfer of the FPP moiety to dansyl-GCVLS
50037074	1	ChEMBL_145589 (CHEMBL749734)	Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1
50037074	3	ChEMBL_145257 (CHEMBL751035)	Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593
50037074	4	ChEMBL_145594 (CHEMBL884514)	The partial agonist activity tested in [35S]-GTP-gamma S Recombinant Human Opioid receptor mu 1 transfected in to CHO cells for the displacement of [3H]-DAMGO (mu)
50037074	7	ChEMBL_145257 (CHEMBL751035)	Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593
50037075	1	ChEMBL_223459 (CHEMBL844871)	Antagonist activity against progesterone receptor (PR) in an assay using PRE-luciferase plasmid co-transfected CV-1 cells
50037075	3	ChEMBL_36112 (CHEMBL648077)	Antagonist activity against the Androgen Receptor (AR)
50037075	4	ChEMBL_223458 (CHEMBL844073)	Antagonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line
50037075	2	ChEMBL_159697 (CHEMBL767345)	Antagonist activity against the Progesterone Receptor (PR)
50037075	6	ChEMBL_123501 (CHEMBL729163)	Antagonist activity against the Mineralocorticoid Receptor (MR)
50037075	7	ChEMBL_233263 (CHEMBL631587)	Agonist activity against progesterone receptor (PR) in an alkaline phosphatase assay in the T47D human breast carcinoma cell line
50037075	8	ChEMBL_71248 (CHEMBL683494)	Antagonist activity against the Glucocorticoid Receptor (GR)
50037075	10	ChEMBL_159376 (CHEMBL768809)	Antagonist activity against the Progesterone Receptor (PR)
50000639	1	ChEMBL_1688161 (CHEMBL4038731)	Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50037076	2	ChEMBL_90593 (CHEMBL701338)	Ability to displace binding of [3H]AMPA to recombinant human AMPA receptor Ionotropic glutamate receptor ionotropic kainate 2
50037076	3	ChEMBL_90594 (CHEMBL701551)	Ability to displace binding of [3H]KA to recombinant human KA receptor Ionotropic glutamate receptor ionotropic kainate 2 expressed in EK 293 cell membranes
50037076	4	ChEMBL_90300 (CHEMBL874140)	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 4
50037076	6	ChEMBL_90151 (CHEMBL696973)	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 2
50000639	2	ChEBML_1688162	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50000639	3	ChEBML_1688147	Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50000639	4	ChEMBL_1688152 (CHEMBL4038722)	Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50037076	7	ChEMBL_90140 (CHEMBL701239)	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 1
50037076	8	ChEMBL_90291 (CHEMBL697510)	Ability to displace binding of [3H]AMPA to recombinant human Ionotropic glutamate receptor AMPA 3
50037077	1	ChEMBL_208329 (CHEMBL813561)	Inhibitory activity against thrombin.
50037078	1	ChEMBL_31394 (CHEMBL643652)	Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor
50037078	2	ChEMBL_30467 (CHEMBL643128)	Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cell
50037078	3	ChEMBL_31703 (CHEMBL645784)	Affinity for human Adenosine A3 receptor expressed in CHO cell
50037078	4	ChEMBL_31860 (CHEMBL644090)	Binding affinity for CHO cell membrane expressing human A3AR with GTPgammaS using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one
50037078	5	ChEMBL_31847 (CHEMBL646635)	Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor)
50037078	6	ChEMBL_30468 (CHEMBL643129)	Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3
50037078	7	ChEMBL_31835 (CHEMBL641337)	Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one as radioligand
50037078	8	ChEMBL_31846 (CHEMBL646634)	Binding affinity towards Adenosine A3 receptor (H95A mutant receptor)
50037078	9	ChEMBL_31862 (CHEMBL876562)	Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one as radioligand
50037078	10	ChEMBL_30636 (CHEMBL875922)	Binding affinity towards human Adenosine A3 receptor wild type
50037078	11	ChEMBL_31848 (CHEMBL646636)	Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)
50037078	12	ChEMBL_31861 (CHEMBL644091)	Binding affinity for CHO cell membrane expressing human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one
50037078	13	ChEMBL_31704 (CHEMBL645785)	Affinity towards human Adenosine A3 receptor in CHO cell
50037078	14	ChEMBL_31849 (CHEMBL876561)	Binding affinity towards Adenosine A3 receptor (W243 mutant) receptor
50037078	15	ChEMBL_31850 (CHEMBL646637)	Binding affinity towards Adenosine A3 receptor (W243A)
50037079	1	ChEMBL_105473 (CHEMBL708303)	Inhibition of Mast/stem cell growth factor receptor (c-kit) autophosphorylation
50037079	3	ChEMBL_158521 (CHEMBL768948)	Concentration required for 50% inhibition against autophosphorylation of Platelet-derived growth factor receptor beta in intact cells using a two site ELISA
50037079	4	ChEMBL_123857 (CHEMBL731358)	Inhibition of Mitogen activated protein kinase kinase 3
50037079	5	ChEMBL_123995 (CHEMBL734023)	Inhibition of Mitogen activated protein kinase kinase 6
50037079	6	ChEMBL_32948 (CHEMBL646338)	Inhibition of PDGF receptor alpha autophosphorylation
50037079	8	ChEMBL_68355 (CHEMBL679497)	Inhibition of Flt3 autophosphorylation
50037079	9	ChEMBL_63757 (CHEMBL679945)	Inhibition of Epidermal growth factor receptor autophosphorylation
50037079	11	ChEMBL_216666 (CHEMBL819506)	Inhibition of c-Jun N-terminal kinase (Jnk)
50037079	12	ChEMBL_47906 (CHEMBL884250)	Inhibition of Colony stimulating factor 1 receptor (CSF-1R) autophosphorylation
50037079	13	ChEMBL_202605 (CHEMBL806429)	Inhibition of Src protein tyrosine kinase
50037079	14	ChEMBL_123845 (CHEMBL731420)	Inhibition of Mitogen activated protein kinase kinase 1
50037079	15	ChEMBL_226172 (CHEMBL847901)	Inhibition of Abl tyrosine kinase
50000639	5	ChEBML_1688146	Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50037079	18	ChEMBL_105474 (CHEMBL708304)	Inhibition of Mast/stem cell growth factor receptor (c-kit) autophosphorylation
50037079	19	ChEMBL_32949 (CHEMBL646339)	Inhibition of PDGF receptor alpha autophosphorylation
50037079	20	ChEMBL_213973 (CHEMBL812622)	Inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2) autophosphorylation
50000639	8	ChEMBL_1688146 (CHEMBL4038716)	Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50037079	22	ChEMBL_63755 (CHEMBL679943)	Inhibition of Epidermal growth factor receptor autophosphorylation
50000639	6	ChEBML_1688152	Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50037079	24	ChEMBL_70803 (CHEMBL677135)	Inhibition of Flt3 autophosphorylation
50037080	1	ChEMBL_62129 (CHEMBL674519)	Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement.
50037080	2	ChEMBL_60668 (CHEMBL671704)	Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement.
50037080	3	ChEMBL_61809 (CHEMBL672573)	Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement.
50037080	5	ChEMBL_60507 (CHEMBL673336)	Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacement.
50037080	6	ChEMBL_1075 (CHEMBL616399)	Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor
50037080	8	ChEMBL_61482 (CHEMBL672384)	Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement.
50037080	10	ChEMBL_61951 (CHEMBL671351)	Intrinsic activity in mitogenesis assay using Dopamine receptor D3 expressing CHO cells
50000640	1	ChEMBL_1688164 (CHEMBL4038734)	Inhibition of BRD4-BD1 (44 to 168 residues) (unknown origin) using histone H4 peptide as substrate preincubated for 15 mins followed by addition of substrate measured after 60 mins by AlphaScreen assay
50000640	4	ChEMBL_1688165 (CHEMBL4038735)	Inhibition of BRD4-BD2 (333 to 460 residues) (unknown origin) using histone H4 peptide as substrate preincubated for 15 mins followed by addition of substrate measured after 60 mins by AlphaScreen assay
50037081	1	ChEMBL_147866 (CHEMBL755182)	Inhibitory activity against Human MDR1 P-Glycoprotein ABC Transporter using leukemia CEM cells
50000640	2	ChEBML_1688165	Inhibition of BRD4-BD2 (333 to 460 residues) (unknown origin) using histone H4 peptide as substrate preincubated for 15 mins followed by addition of substrate measured after 60 mins by AlphaScreen assay
50000640	3	ChEMBL_1688169 (CHEMBL4038739)	Inhibition of recombinant human His-tagged BRD4-BD1 expressed in bacteria using biotinylated H4-tetraacetyl peptide as substrate after 20 mins by AlphaScreen assay
50003323	1	ChEMBL_1688172 (CHEMBL4038742)	Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured at 5 days post infection by MTT assay
50000641	1	ChEBML_1688177	Displacement of [3H]deltorphin-2 from recombinant human delta opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter analysis
50000641	2	ChEBML_1688176	Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter analysis
50000641	3	ChEBML_1688178	Displacement of [3H]U-69593 from recombinant human kappa opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation counter analysis
50000642	1	ChEBML_1688180	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50000642	2	ChEBML_1688179	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50037083	1	ChEMBL_2585 (CHEMBL617606)	In vitro binding affinity for serotonin 5-hydroxytryptamine 2A receptor of rat cerebral cortex using [3H]ketanserin as radioligand
50037083	2	ChEMBL_61446 (CHEMBL670672)	In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as radioligand
50037083	3	ChEMBL_857 (CHEMBL615913)	In vitro binding affinity for serotonin 5-hydroxytryptamine 1A receptor fof rat cerebral cortex using [3H]8-OH-DPAT as radioligand
50037084	1	ChEMBL_50974 (CHEMBL666692)	Inhibition of recombinant corticotropin releasing factor receptor 1 assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine
50000643	2	ChEMBL_1688196 (CHEMBL4038766)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by substrate addition measured at 30 secs interval for 10 mins by UV-spectrophotmetric method
50000643	1	ChEMBL_1688184 (CHEMBL4038754)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate incubated for 10 mins measured for 30 mins by spectrometric analysis
50000643	4	ChEMBL_1688187 (CHEMBL4038757)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate by Dixon plot analysis
50000643	3	ChEBML_1688196	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 60 mins followed by substrate addition measured at 30 secs interval for 10 mins by UV-spectrophotmetric method
50000644	1	ChEBML_1688266	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane incubated for 120 mins measured for 5 mins by scintillation counting method
50000644	3	ChEMBL_1688265 (CHEMBL4038835)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane incubated for 120 mins measured for 5 mins by scintillation counting method
50037084	2	ChEMBL_51278 (CHEMBL664980)	Inhibition of recombinant human corticotropin releasing factor receptor 2 beta (CRF2beta) assayed using nonselective [125I]-labeled agonist [Tyr0,Glu1,Nle17]-sauvagine as radioligand
50000644	2	ChEBML_1688265	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane incubated for 120 mins measured for 5 mins by scintillation counting method
50000644	4	ChEMBL_1688266 (CHEMBL4038836)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane incubated for 120 mins measured for 5 mins by scintillation counting method
50037084	4	ChEMBL_51272 (CHEMBL665763)	Compound was evaluated for affinity towards Corticotropin releasing factor receptor 2 expressing tissues such as Choroid plexus, blood vessels
50000645	1	ChEBML_1688460	Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins
50037084	3	ChEMBL_51127 (CHEMBL663562)	Compound was evaluated for affinity towards Corticotropin releasing factor receptor 1 expressing tissues such as Cortex, cerebellum
50000645	2	ChEBML_1688462	Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins
50000645	3	ChEMBL_1688459 (CHEMBL4039029)	Inhibition of recombinant GST-tagged PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after 2 to 3 mins by spectrophotometric method
50000645	4	ChEMBL_1688467 (CHEMBL4039037)	Inhibition of recombinant full length human GST-tagged PTP1B expressed in Escherichia coli DH5alpha using pNPP as substrate incubated for 15 mins measured at 30 secs interval for 10 mins by fluorescence assay
50000645	5	ChEMBL_1688461 (CHEMBL4039031)	Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins
50037086	1	ChEMBL_144187 (CHEMBL750729)	Inhibition of [125I]- iodo-MLA binding at the Nicotinic acetylcholine receptor alpha-7 (nAChR) in male rat cerebral cortex
50037087	1	ChEMBL_29126 (CHEMBL642430)	Binding affinity to Adenosine A1 receptor in bovine cortical membranes by [3H]N6-cyclohexyl adenosine displacement.
50037087	2	ChEMBL_29113 (CHEMBL638725)	Binding affinity at bovine Adenosine A1 receptor.
50037087	3	ChEMBL_29118 (CHEMBL638730)	Binding affinity against rat Adenosine A1 receptor
50037087	6	ChEMBL_29117 (CHEMBL638729)	Binding affinity against bovine Adenosine A1 receptor
50037087	7	ChEMBL_29124 (CHEMBL642428)	Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes without GTP
50037087	8	ChEMBL_29265 (CHEMBL642751)	Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP
50037087	9	ChEMBL_29125 (CHEMBL642429)	Displacement of [3H]DPCPX from Adenosine A1 receptor of bovine cortical membranes with 1 mM GTP
50037087	10	ChEMBL_31056 (CHEMBL642127)	Displacement of [3H]CGS-21680 from Adenosine A2A receptor in bovine striatal membrane
50037088	1	ChEMBL_201584 (CHEMBL809861)	Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver
50037088	2	ChEMBL_201425 (CHEMBL810658)	Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain
50037089	1	ChEMBL_208170 (CHEMBL819271)	Binding Affinity to Thrombin
50037090	1	ChEMBL_52841 (CHEMBL665045)	Inhibitory activity against pneumocystis carinii Dihydrofolate reductase
50037090	2	ChEMBL_54110 (CHEMBL668440)	Inhibitory activity against recombinant human Dihydrofolate reductase
50037090	3	ChEMBL_53318 (CHEMBL665701)	Inhibitory activity against Toxoplasma gondii (tg) Dihydrofolate reductase (DHFR)
50037090	4	ChEMBL_54739 (CHEMBL667190)	Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase
50037092	3	ChEMBL_104235 (CHEMBL878334)	Binding affinity against human Melanocortin-4 receptor
50000645	6	ChEBML_1688461	Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins
50037092	9	ChEMBL_106527 (CHEMBL872337)	Binding affinity against human Melanocortin 5 receptor
50000646	1	ChEBML_1688491	Inhibition of Respiratory syncytial virus A2 M2-1 by luciferase reporter-based RSV minigenome assay
50037092	10	ChEMBL_104241 (CHEMBL712746)	Binding affinity against human Melanocortin-4 receptor
50000646	2	ChEBML_1688494	Inhibition of Respiratory syncytial virus A2 protein N by luciferase reporter-based RSV minigenome assay
50037092	12	ChEMBL_106646 (CHEMBL872789)	Binding affinity against human Melanocortin 5 receptor
50000646	3	ChEBML_1688495	Inhibition of Respiratory syncytial virus A2 protein P by luciferase reporter-based RSV minigenome assay
50000648	1	ChEBML_1688498	Displacement of [3H]DAMGO from mu-opioid receptor in Wistar rat brain membrane after 1 hr by microbeta scintillation counting method
50000648	2	ChEBML_1688499	Displacement of [3H]DPDPE from delta-opioid receptor in Wistar rat brain membrane after 3 hrs by microbeta scintillation counting method
50000650	1	ChEBML_1688534	Binding affinity to human wild type GCK (M1 to G318 residues) expressed in mammalian expression system by KINOMEScan assay
50000651	1	ChEBML_1688538	Inhibition of human recombinant TCPTP (1 to 317 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50037093	1	ChEMBL_145592 (CHEMBL749737)	Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes
50037093	2	ChEMBL_147244 (CHEMBL755512)	Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes
50000651	2	ChEBML_1688537	Inhibition of human recombinant CD45 using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50037093	3	ChEMBL_146108 (CHEMBL754578)	Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1
50000651	3	ChEBML_1688536	Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50000651	4	ChEBML_1688542	Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50000652	1	ChEBML_1688544	Inhibition of recombinant human His-tagged LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Amplex red dye based fluorescence assay
50000652	2	ChEMBL_1688544 (CHEMBL4039114)	Inhibition of recombinant human His-tagged LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Amplex red dye based fluorescence assay
50037094	1	ChEMBL_149143 (CHEMBL759234)	Binding affinity at mu opioid receptor 1 in rat brain membrane by [3H]DAMGO displacement.
50000653	1	ChEMBL_1688593 (CHEMBL4039163)	Inhibition of human dopamine D2 receptor
50000653	2	ChEBML_1688594	Inhibition of human dopamine D3 receptor
50037094	2	ChEMBL_147183 (CHEMBL754482)	Binding affinity at delta opioid receptor 1 in rat brain membrane by [3H]DADLE displacement.
50000653	3	ChEBML_1688595	Inhibition of human dopamine D5 receptor
50000653	4	ChEBML_1688596	Inhibition of serotonin 5-HT1A receptor (unknown origin)
50000653	5	ChEBML_1688597	Inhibition of serotonin 5-HT2 receptor (unknown origin)
50000653	6	ChEBML_1688598	Inhibition of serotonin 5-HT1B receptor (unknown origin)
50000653	7	ChEBML_1688600	Inhibition of serotonin 5-HT6 receptor (unknown origin)
50000653	8	ChEBML_1688601	Inhibition of serotonin 5-HT7 receptor (unknown origin)
50000653	26	ChEMBL_1688620 (CHEMBL4039190)	Inhibition of human dopamine D4 receptor
50000653	25	ChEMBL_1688612 (CHEMBL4039182)	Inhibition of alpha1 adrenergic receptor (unknown origin)
50000653	10	ChEMBL_1688623 (CHEMBL4039193)	Inhibition of human dopamine D2 (short) receptor
50000653	11	ChEBML_1688593	Inhibition of human dopamine D2 receptor
50000653	12	ChEBML_1688603	Inhibition of alpha2A adrenergic receptor (unknown origin)
50000653	13	ChEBML_1688604	Inhibition of alpha2B adrenergic receptor (unknown origin)
50000653	14	ChEBML_1688605	Inhibition of alpha2C adrenergic receptor (unknown origin)
50037095	1	ChEMBL_147710 (CHEMBL759180)	Agonists activity was evaluated by release of [Ca2+] release of HEK 293 cells stably transfected with rat-brain P2Y purinoceptor 1 (P2Y1-R)
50000653	15	ChEBML_1688606	Inhibition of alpha1C adrenergic receptor (unknown origin)
50000653	16	ChEBML_1688607	Inhibition of alpha1B adrenergic receptor (unknown origin)
50000653	17	ChEBML_1688608	Inhibition of sigma1 receptor (unknown origin)
50000653	18	ChEBML_1688609	Inhibition of sigma2 receptor (unknown origin)
50000653	19	ChEBML_1688610	Inhibition of muscarinic acetylcholine M5 receptor (unknown origin)
50000653	20	ChEBML_1688611	Inhibition of histamine H1 receptor (unknown origin)
50000653	24	ChEMBL_1688614 (CHEMBL4039184)	Inhibition of alpha2 adrenergic receptor (unknown origin)
50000653	21	ChEBML_1688592	Inhibition of human dopamine D1 receptor
50000653	22	ChEBML_1688599	Inhibition of serotonin 5-HT2C receptor (unknown origin)
50000653	23	ChEBML_1688602	Inhibition of serotonin 5-HT3 receptor (unknown origin)
50000654	1	ChEBML_1688692	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 2.6 mins in presence of 5-Methyl-6-(phenylethynyl)-pyridine by Fluo-4 AM dye based fluorescence assay
50000654	2	ChEBML_1688651	Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50000654	3	ChEMBL_1688648 (CHEMBL4039218)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50000654	4	ChEBML_1688701	Inhibition of CYP2D6 in human liver microsomes using (R)-bufuralol as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	5	ChEBML_1688650	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50000654	29	ChEMBL_1688644 (CHEMBL4039214)	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 1.9 mins by Fluo-4 AM dye based fluorescence assay
50000654	30	ChEMBL_1688685 (CHEMBL4039255)	Inhibition of human recombinant DAT expressed in CHO-S cells assessed as reduction in [3H]-dopamine uptake preincubated for 20 mins followed by [3H]-dopamine addition measured after 10 mins
50000654	31	ChEMBL_1688699 (CHEMBL4039269)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	15	ChEMBL_1688706 (CHEMBL4039276)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	17	ChEMBL_1688710 (CHEMBL4039280)	Inhibition of human Nav1.5 at tonic phase expressed in CHO cells by automated patch clamp assay
50000654	32	ChEMBL_1688650 (CHEMBL4039220)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50000654	33	ChEMBL_1688709 (CHEMBL4039279)	Inhibition of human ERG expressed in CHO cells by automated patch clamp assay
50000654	6	ChEMBL_1688684 (CHEMBL4039254)	Displacement of [125I] RTI-55 from human recombinant DAT expressed in CHO-S cell membranes
50000654	8	ChEMBL_1688689 (CHEMBL4039259)	Displacement of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGlu5 receptor expressed in HEK293A cell membranes after 1 hr by scintillation counting
50000654	9	ChEMBL_1688692 (CHEMBL4039262)	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 2.6 mins in presence of 5-Methyl-6-(phenylethynyl)-pyridine by Fluo-4 AM dye based fluorescence assay
50000654	10	ChEMBL_1688700 (CHEMBL4039270)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	12	ChEMBL_1688702 (CHEMBL4039272)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	13	ChEBML_1688704	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	14	ChEBML_1688705	Inhibition of CYP2B6 in human liver microsomes using efavirenz as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000654	18	ChEBML_1688712	Inhibition of human Kv4.3/human KChIP2.2 expressed in CHO cells by automated patch clamp assay
50000654	19	ChEBML_1688713	Inhibition of human Kv1.5 expressed in CHO cells by automated patch clamp assay
50000654	20	ChEBML_1688714	Inhibition of human Cav3.2 expressed in CHO cells by automated patch clamp assay
50000654	21	ChEBML_1688716	Inhibition of human HCN2 expressed in CHO cells by automated patch clamp assay
50000654	22	ChEBML_1688717	Inhibition of human HCN4 expressed in CHO cells by automated patch clamp assay
50000654	23	ChEBML_1688742	Inhibition of human Cav1.2/beta2/alpha2delta1 expressed in CHO cells by automated patch clamp assay
50037097	1	ChEMBL_148993 (CHEMBL757977)	Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptosomes
50037097	2	ChEMBL_70854 (CHEMBL680354)	In vitro inhibitory activity against electrically evoked contractions of guinea pig ileum (GPI)
50037097	3	ChEMBL_122682 (CHEMBL733564)	In vitro inhibitory activity against electrically evoked contractions of in mouse vas deferens (MVD)
50037097	4	ChEMBL_147039 (CHEMBL753342)	Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synaptosomes
50037098	1	ChEMBL_36754 (CHEMBL883277)	Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom
50037098	2	ChEMBL_72517 (CHEMBL685782)	Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) expressed in COS-7 cells
50037098	3	ChEMBL_47959 (CHEMBL656247)	Inhibition of Cholecystokinin type B receptor induced guinea pig gall bladder contractions when given intravenously
50037098	4	ChEMBL_45636 (CHEMBL655446)	The compound was evaluated for the inhibition of Carboxypeptidase A
50037098	5	ChEMBL_200843 (CHEMBL807053)	Binding affinity towards Somatostatin receptor type 4 (hsst4)
50037098	6	ChEMBL_200700 (CHEMBL807108)	Binding affinity towards Somatostatin receptor type 3 (hsst3)
50037098	7	ChEMBL_200542 (CHEMBL805046)	Binding affinity towards Somatostatin receptor type 1 (hsst1)
50037098	8	ChEMBL_200861 (CHEMBL807070)	Binding affinity towards Somatostatin receptor type 5 (hsst5)
50037098	9	ChEMBL_72518 (CHEMBL685783)	Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cells
50037098	10	ChEMBL_50064 (CHEMBL885059)	Concentration required for 50% inhibition of Cholecystokinin type A receptor in rat pancreatic tissue
50037098	11	ChEMBL_36756 (CHEMBL652024)	Inhibitory activity against Angiotensin I converting enzyme (ACE) in venom of Bothrops jararaca
50037098	12	ChEMBL_200680 (CHEMBL807092)	Binding affinity towards Somatostatin receptor type 2 (hsst2)
50037099	1	ChEMBL_147863 (CHEMBL754774)	Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model
50037099	3	ChEMBL_147982 (CHEMBL753510)	High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model
50037099	2	ChEMBL_147865 (CHEMBL755181)	Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model
50037100	1	ChEMBL_105554 (CHEMBL711150)	In vitro inhibition of Met proto-oncogene tyrosine kinase (c-Met) expressed in baculovirus
50037100	2	ChEMBL_216524 (CHEMBL819334)	In vitro inhibition of c-Abl tyrosine kinase expressed in baculovirus
50037100	3	ChEMBL_90284 (CHEMBL697349)	In vitro inhibition of Insulin-like growth factor I receptor expressed in baculovirus
50000654	11	ChEMBL_1688701 (CHEMBL4039271)	Inhibition of CYP2D6 in human liver microsomes using (R)-bufuralol as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50037100	4	ChEMBL_47910 (CHEMBL657537)	In vitro inhibition of Colony stimulating factor 1 receptor (CSF-1R) expressed in baculovirus
50000654	24	ChEBML_1688710	Inhibition of human Nav1.5 at tonic phase expressed in CHO cells by automated patch clamp assay
50000654	25	ChEBML_1688715	Inhibition of human Kir2.1 expressed in CHO cells by automated patch clamp assay
50037100	7	ChEMBL_210886 (CHEMBL814618)	In vitro inhibition of Tyrosine protein kinase receptor TIE-2 (Tek) expressed in baculovirus
50000654	26	ChEBML_1688687	Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 1.9 mins by Fluo-4 AM dye based fluorescence assay
50037100	9	ChEMBL_105476 (CHEMBL708306)	In vitro inhibition of Mast/stem cell growth factor receptor (c-Kit kinase) expressed in baculovirus
50003324	1	ChEMBL_1688928 (CHEMBL4039498)	Inhibition of HIV1 NL4-3 reverse transcriptase His-tagged p66/p51 associated RNA dependent DNA polymerase activity expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer by scintillation counting analysis
50037100	10	ChEMBL_67043 (CHEMBL677881)	In vitro inhibition of Epidermal growth factor receptor (HER-1,ErbB) expressed in baculovirus
50000654	28	ChEBML_1688703	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 15 mins measured after 8 mins in presence or absence of NADPH by LC/MS/MS analysis
50000655	1	ChEBML_1689232	Displacement of [3H]Pentazocine from guinea pig Sigma1 receptor after 90 mins by scintillation counting method
50000655	2	ChEBML_1689230	Displacement of [3H]Citalopram from human SERT receptor expressed in HEK cell membranes after 90 mins by scintillation counting method
50000655	3	ChEBML_1689229	Displacement of [3H]QNB from human M5 receptor expressed in CHO cell membranes after 90 mins by scintillation counting method
50037100	14	ChEMBL_158667 (CHEMBL766057)	In vitro inhibition of Platelet-derived growth factor receptor beta expressed in baculovirus
50037100	15	ChEMBL_214249 (CHEMBL820848)	In vitro inhibition of Vascular endothelial growth factor receptor 3 [VEGFR-3(Flt-4)] expressed in baculovirus
50000655	4	ChEBML_1689228	Displacement of [3H]U69593 from KOR receptor (unknown origin) expressed in HEK cell membranes after 90 mins by scintillation counting method
50000655	5	ChEBML_1689226	Displacement of [3H]Rauwolscine from human alpha2C receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method
50000655	6	ChEBML_1689225	Displacement of [3H]Rauwolscine from human alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method
50037100	16	ChEMBL_67043 (CHEMBL677881)	In vitro inhibition of Epidermal growth factor receptor (HER-1,ErbB) expressed in baculovirus
50000655	7	ChEBML_1689224	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 90 mins by scintillation counting method
50000655	8	ChEBML_1689231	Displacement of [3H]Nisoxetine from human NET receptor expressed in HEK cell membranes after 90 mins by scintillation counting method
50000655	9	ChEBML_1689227	Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cell membranes after 90 mins by scintillation counting method
50000656	1	ChEBML_1689437	Inhibition of recombinant human TDP2 using 3'-labeled alpha-[32P]-cordycepin as substrate after 15 mins
50000656	2	ChEBML_1689436	Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled single stranded DNA containing a 3'-phosphotyrosine as substrate after 15 mins by PAGE analysis
50037100	13	ChEMBL_213957 (CHEMBL811935)	In vitro inhibition of Vascular endothelial growth factor receptor 1 (VEGFR-1) expressed in baculovirus
50037100	20	ChEMBL_70623 (CHEMBL678679)	In vitro inhibition of Fibroblast growth factor receptor expressed in baculovirus
50037100	22	ChEMBL_216845 (CHEMBL818268)	In vitro inhibition of c-SRC kinase expressed in baculovirus
50037100	5	ChEMBL_213975 (CHEMBL812788)	In vitro inhibition of Vascular endothelial growth factor receptor 2 (VEGFR-2) expressed in baculovirus
50037101	1	ChEMBL_60208 (CHEMBL672170)	Binding affinity towards human Dopamine receptor D2 using [3H]spiroperidol as radioligand
50037101	2	ChEMBL_62757 (CHEMBL676126)	Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand
50037101	3	ChEMBL_1112 (CHEMBL616057)	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes
50037101	4	ChEMBL_60680 (CHEMBL675942)	Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand
50037101	5	ChEMBL_60210 (CHEMBL672172)	Binding affinity towards human dopamine receptor D2 using [3H]spiroperidol as radioligand
50037102	1	ChEMBL_106838 (CHEMBL878355)	Activity in mouse melanocortin-3 receptor (mMC3R) stably expressed in HEK293 cells
50037102	2	ChEMBL_104262 (CHEMBL711699)	Activity in mouse melanocortin-5 receptor stably expressed in HEK293 cells
50037102	3	ChEMBL_106823 (CHEMBL717664)	Activity in mouse melanocortin-1 receptor stably expressed in HEK293 cells
50037102	4	ChEMBL_104251 (CHEMBL714369)	Activity in mouse melanocortin-4 receptor stably expressed in HEK293 cells
50000657	1	ChEBML_1689485	Inhibition of CYP1A2 (unknown origin)
50000657	2	ChEBML_1689464	Inhibition of CYP2D6 (unknown origin)
50000657	3	ChEBML_1689486	Inhibition of partial length human MEK5 expressed in mammalian expression system by KINOMEscan assay
50000657	4	ChEMBL_1689460 (CHEMBL4040030)	Inhibition of porcupine (unknown origin)
50000657	5	ChEBML_1689461	Inhibition of porcupine (unknown origin) expressed in HEK293 cells after day 1 post treatment by Super-top flash reporter gene assay
50037103	1	ChEMBL_213260 (CHEMBL820660)	Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 2
50037103	2	ChEMBL_213262 (CHEMBL820662)	Concentration to inhibit 50% activity of the Type-3 17-beta- hydroxysteroid dehydrogenase
50037103	3	ChEMBL_213265 (CHEMBL820664)	The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 1
50037103	4	ChEMBL_213259 (CHEMBL818799)	Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 1
50037103	5	ChEMBL_213261 (CHEMBL820661)	Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 3
50037103	6	ChEMBL_213267 (CHEMBL820666)	The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 3
50037103	7	ChEMBL_213266 (CHEMBL820665)	The ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity in transfected human embryonic kidney (HEK)-293 cells experiment 2
50037104	1	ChEMBL_198043 (CHEMBL800740)	Inhibition of [3H]- citalopram binding to Serotonin transporter
50037104	2	ChEMBL_142627 (CHEMBL751164)	Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter
50037104	3	ChEMBL_61998 (CHEMBL670108)	Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT)
50037104	4	ChEMBL_198044 (CHEMBL800741)	Inhibition of binding of [3H]- citalopram to Serotonin transporter (SERT) of rat cerebral cortex.
50037104	5	ChEMBL_142630 (CHEMBL746898)	Inhibition of binding of [3H]- nisoxatine to Norepinephrine transporter (NET) of rat cerebral cortex.
50037104	6	ChEMBL_142628 (CHEMBL746896)	Concentration causing 50% Inhibition of binding of [3H]- nisoxatine to Norepinephrine transporter (NET).
50037104	7	ChEMBL_62020 (CHEMBL671787)	Inhibition of binding of 3[H] WIN-35 428 to Dopamine transporter (DAT) of rat striatum.
50037105	1	ChEMBL_89939 (CHEMBL699565)	Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II)
50037105	2	ChEMBL_89798 (CHEMBL698516)	Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I)
50037106	2	ChEMBL_146919 (CHEMBL757507)	Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay
50037106	1	ChEMBL_148858 (CHEMBL756654)	Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1
50000657	9	ChEMBL_1689488 (CHEMBL4040058)	Inhibition of human ERG by patch clamp assay
50000657	7	ChEBML_1689487	Inhibition of partial length human RIOK2 expressed in mammalian expression system by KINOMEscan assay
50000657	8	ChEBML_1689465	Inhibition of CYP3A4 (unknown origin)
50000661	1	ChEBML_1689562	Inhibition of CYP3A4 (unknown origin)
50037108	2	ChEMBL_27954 (CHEMBL649134)	Inhibitory activity against Acetylcholinesterase (AChE)
50037108	3	ChEMBL_41268 (CHEMBL654393)	Inhibitory activity against Butyrylcholinesterase (BChE)
50000661	2	ChEBML_1689579	Inhibition of human NaV1.4 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50037109	1	ChEMBL_212582 (CHEMBL811884)	Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.
50037109	2	ChEMBL_63593 (CHEMBL675240)	Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) tagged HB-EGF stimulated by 12-O-tetradecanoylphorbol 13-acetate(TPA).
50037109	3	ChEMBL_104748 (CHEMBL715873)	Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).
50037109	4	ChEMBL_105387 (CHEMBL710806)	Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).
50037109	5	ChEMBL_106139 (CHEMBL718686)	Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).
50037110	1	ChEMBL_147399 (CHEMBL751807)	Affinity at P2X purinoceptor 3 (P2X3) and the value is expressed as IC50
50037110	2	ChEMBL_149727 (CHEMBL759510)	Affinity at P2X purinoceptor 1 (P2X1) and the value is expressed as IC50
50037111	1	ChEMBL_139122 (CHEMBL749860)	Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M4
50000661	3	ChEBML_1689563	Inhibition of CYP2C9 (unknown origin)
50037111	5	ChEMBL_139392 (CHEMBL747005)	Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5
50037111	4	ChEMBL_139755 (CHEMBL745196)	Binding affinity (Ki) against binding of [3H]NMS to membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M2
50037111	2	ChEMBL_138703 (CHEMBL747818)	Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M3
50037111	3	ChEMBL_138405 (CHEMBL744767)	Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M1
50000661	4	ChEBML_1689556	Inhibition of human NaV1.1 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50000661	5	ChEBML_1689557	Inhibition of human NaV1.2 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50000661	6	ChEBML_1689558	Inhibition of human NaV1.3 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50000661	7	ChEBML_1689559	Inhibition of human NaV1.6 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50000661	8	ChEBML_1689560	Inhibition of human NaV1.8 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50037112	3	ChEMBL_144179 (CHEMBL749560)	Binding affinity to subtype Nicotinic acetylcholine receptor alpha-7 using [125I]-alpha-BTX as radioligand in rat brain
50000661	9	ChEBML_1689561	Inhibition of rat NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50037113	1	ChEMBL_197841 (CHEMBL806668)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type D220V by compound was evalutade
50037113	2	ChEMBL_198010 (CHEMBL799062)	Exogenous inhibition concentration of Serine/threonine protein phosphatase 2A (PP2A)
50037113	3	ChEMBL_198012 (CHEMBL799064)	Inhibition of Serine/threonine protein phosphatase 2A by anhydride modified Cantharidin analogues
50037113	4	ChEMBL_197987 (CHEMBL799489)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D208A
50037113	5	ChEMBL_197997 (CHEMBL798975)	Inhibition of Serine/threonine protein phosphatase 1 by anhydride modified Cantharidin analogues
50037113	6	ChEMBL_197838 (CHEMBL804804)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type H248N by compound was evalutade
50037113	7	ChEMBL_197988 (CHEMBL799490)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in D220V
50037113	8	ChEMBL_198013 (CHEMBL799065)	Inhibition of microcystin analogues to catalytic subunits of Serine/threonine protein phosphatase 2A (PP2Ac)
50037113	9	ChEMBL_197995 (CHEMBL798973)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in wild type
50037113	10	ChEMBL_197991 (CHEMBL872988)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in N124D
50037113	12	ChEMBL_197994 (CHEMBL799495)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in Y272F
50037113	13	ChEMBL_197843 (CHEMBL806670)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type N124D by compound was evalutade
50037113	14	ChEMBL_197992 (CHEMBL799493)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in R221S
50037113	15	ChEMBL_197842 (CHEMBL806669)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type E275R by compound was evalutade
50037113	16	ChEMBL_197990 (CHEMBL799492)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in H248N
50037113	17	ChEMBL_197989 (CHEMBL799491)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in E275R
50000661	10	ChEBML_1689555	Inhibition of human NaV1.7 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50037113	18	ChEMBL_197996 (CHEMBL798974)	Inhibition of Serine/threonine protein phosphatase 1 9PP1) mutants by natural toxins in R221S
50037113	19	ChEMBL_197844 (CHEMBL806671)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type R221S by compound was evalutade
50037113	20	ChEMBL_197986 (CHEMBL799488)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in C127S
50037113	21	ChEMBL_197846 (CHEMBL806673)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type Y272F by compound was evalutade
50037113	22	ChEMBL_197840 (CHEMBL806667)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type D208A by compound was evalutade
50037113	23	ChEMBL_197993 (CHEMBL799494)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutants by natural toxins in R96A
50037113	24	ChEMBL_197839 (CHEMBL806666)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type C127S by compound was evalutade
50037113	25	ChEMBL_197845 (CHEMBL806672)	Inhibition of Serine/threonine protein phosphatase 1 (PP1) mutant type R96A by compound was evalutade
50037114	1	ChEMBL_123738 (CHEMBL728381)	Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone
50037114	2	ChEMBL_122778 (CHEMBL879391)	Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone
50037115	2	ChEMBL_30462 (CHEMBL643123)	Affinity to Adenosine A3 receptor of rat testis membrane using [3H](R)-PIA with 150 nM DPCPX
50000661	11	ChEBML_1689554	Inhibition of human NaV1.5 expressed in HEK cells assessed as half inactivation potential at -120 mV holding potential by automated patch clamp method
50037115	1	ChEMBL_32150 (CHEMBL646277)	Affinity to Adenosine A2A receptor of rat brain striatum using [3H]-CGS- 21680
50037115	3	ChEMBL_28983 (CHEMBL640785)	Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor
50037116	2	ChEMBL_62333 (CHEMBL872897)	Affinity for dopamine transporter was assessed by the ability to displace [3H]WIN-35428 from rat caudate-putamen tissue
50037116	3	ChEMBL_142637 (CHEMBL746905)	Binding affinity for Norepinephrine transporter is assessed from the ability to displace [3H]nisoxetine from rat frontal cortex
50037116	4	ChEMBL_61830 (CHEMBL672593)	Affinity for dopamine transporter was assessed by the ability to displace [3H]WIN-35428 from rat caudate-putamen tissue
50037117	3	ChEMBL_145102 (CHEMBL751987)	Binding activity against human Opioid receptor kappa 1 using [3H]-U 50488 as a radioligand
50037117	4	ChEMBL_145600 (CHEMBL872833)	Binding activity against human Opioid receptor mu 1 using [3H]DAMGO as a radioligand
50037118	1	ChEMBL_70737 (CHEMBL681127)	Inhibition of Farnesyltransferase
50037119	1	ChEMBL_45265 (CHEMBL658217)	Inhibitory activity against bovine carbonic anhydrase IV
50037119	2	ChEMBL_47497 (CHEMBL662724)	Inhibitory activity against Human carbonic anhydrase I
50037119	3	ChEMBL_45044 (CHEMBL658042)	Inhibitory activity against Human carbonic anhydrase II
50037119	4	ChEMBL_44868 (CHEMBL656563)	Inhibitory activity against Human Carbonic anhydrase II
50037120	1	ChEMBL_159757 (CHEMBL763083)	Inhibition of human purified Prostaglandin G/H synthase 2
50037120	2	ChEMBL_159914 (CHEMBL768963)	Inhibition of human Prostaglandin G/H synthase 2
50037120	3	ChEMBL_158745 (CHEMBL768752)	Inhibition of human purified Prostaglandin G/H synthase 1
50037120	4	ChEMBL_158920 (CHEMBL763484)	Inhibition of human Prostaglandin G/H synthase 1
50037121	1	ChEMBL_40364 (CHEMBL650751)	Inhibition of chemotactic protein to CCR2b
50037121	3	ChEMBL_89192 (CHEMBL701144)	Inhibitory activity against the partially purified human Inducible nitric oxide synthase
50037121	5	ChEMBL_202622 (CHEMBL805367)	Inhibition of Src protein tyrosine kinase
50037121	6	ChEMBL_72328 (CHEMBL685228)	Inhibition of p53 binding to Glutathione S-transferase 2 (hdm2-GST)
50037121	7	ChEMBL_72359 (CHEMBL686446)	Inhibition of Growth factor receptor bound protein 2 SH2-domain binding
50037121	10	ChEMBL_41607 (CHEMBL650560)	Antagonist activity against the C5a receptor
50037121	11	ChEMBL_202791 (CHEMBL809571)	Inhibition of binding to Src SH2 domain
50037121	14	ChEMBL_144432 (CHEMBL753642)	Competitive binding against Nerve growth factor to p75-NGF receptor in PC12 cells
50037121	15	ChEMBL_152917 (CHEMBL758787)	Inhibition of Grb2-SH2 domain binding to phospho-EGF receptor intracellular C-terminal domain
50037121	18	ChEMBL_40367 (CHEMBL649975)	Inhibition of chemotactic protein to CCR5
50037122	1	ChEMBL_32972 (CHEMBL644687)	Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay
50037122	2	ChEMBL_148143 (CHEMBL755250)	Ability to inhibit the binding of P-selectin glycoprotein ligand 1 (PSGL-1) fusion protein to immobilized soluble P-selectin in a P-selectin assay.
50037123	1	ChEMBL_65306 (CHEMBL678080)	The concentration required for inhibition of Human endothelial nitric oxide synthase (eNOS) isoform
50037123	2	ChEMBL_65307 (CHEMBL678081)	The concentration required for inhibition of Human endothelial nitric oxide synthase (eNOS) isoform, expressed as IC50.
50037123	3	ChEMBL_89202 (CHEMBL701153)	The concentration required for inhibition of Human inducible nitric oxide synthase (iNOS) isoform
50037123	4	ChEMBL_143366 (CHEMBL752266)	The concentration required for inhibition of Human Neuronal nitric oxide synthase (nNOS)
50037123	5	ChEMBL_89203 (CHEMBL701154)	The concentration required for inhibition of Human inducible nitric oxide synthase (iNOS) isoform, expressed as IC50.
50037124	1	ChEMBL_37409 (CHEMBL651841)	Inhibition of Beta-galactosidase
50037124	2	ChEMBL_215908 (CHEMBL818874)	Inhibitory activity against beta-lactamase
50037124	3	ChEMBL_216013 (CHEMBL820515)	Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer
50037124	4	ChEMBL_53613 (CHEMBL661843)	Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)
50037124	5	ChEMBL_49925 (CHEMBL664294)	Inhibitory activity against chymotrypsinogen
50037124	6	ChEMBL_216015 (CHEMBL820516)	Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer
50037124	7	ChEMBL_216014 (CHEMBL881597)	Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer
50037124	8	ChEMBL_216016 (CHEMBL820517)	inhibitory activity against Beta-lactamase
50037124	9	ChEMBL_49932 (CHEMBL660315)	inhibitory activity against Chymotrypsinogen
50037125	1	ChEMBL_46460 (CHEMBL657907)	Compound was evaluated for affinity towards human cCannabinoid receptor 1 using [3H]- SR-141716A as radioligand
50037125	2	ChEMBL_46459 (CHEMBL657906)	Compound was evaluated for affinity towards human Cannabinoid receptor 1 using [3H]- SR-141716A as radioligand
50037126	1	ChEMBL_34943 (CHEMBL647786)	In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II
50037127	1	ChEMBL_198048 (CHEMBL805175)	Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes
50037127	2	ChEMBL_142635 (CHEMBL746903)	Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter) into nerve ending synaptosomes prepared from brain regions
50037127	3	ChEMBL_62318 (CHEMBL673607)	Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter into nerve endings synaptosomes
50037128	1	ChEMBL_27955 (CHEMBL649135)	Inhibition of fetal Bovine serum AChE
50037128	2	ChEMBL_41269 (CHEMBL655026)	Inhibition of Equine Butyrylcholinesterase
50037128	3	ChEMBL_41438 (CHEMBL654417)	Inhibitory activity against Equine Butyrylcholinesterase
50037128	4	ChEMBL_28748 (CHEMBL641012)	Inhibitory activity against human AChE
50037129	1	ChEMBL_38606 (CHEMBL652289)	Inhibition of spontaneous contractions in isolated rat uterus
50037129	2	ChEMBL_38645 (CHEMBL652589)	Concentration required to effect a 50% relaxation of rat ferret detrusor basal tone
50037129	3	ChEMBL_38644 (CHEMBL652588)	Concentration required to effect a 50% relaxation of ferret detrusor basal tone
50037130	1	ChEMBL_100019 (CHEMBL709255)	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in rat anterior pituitaries
50037130	2	ChEMBL_100011 (CHEMBL709249)	Antagonist concentration required to inhibit specific binding of [125I]leuprorelin to human luteinizing releasing hormone receptor in cloned chinese hamster ovary (CHO) cells.
50037130	3	ChEMBL_100007 (CHEMBL710692)	Tested for inhibition of arachidonic acid(AA) release from CHO cells in Monkey
50037130	4	ChEMBL_100005 (CHEMBL710690)	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to Leutinizing releasing hormone receptor in monkey (chinese hamster ovary (CHO) cells)
50037130	5	ChEMBL_100010 (CHEMBL710695)	Inhibition of LHRH-stimulated arachidonic acid (AA) release from CHO cells expressing human Leutinizing releasing hormone receptor
50037130	6	ChEMBL_100006 (CHEMBL710691)	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to monkey Leutinizing releasing hormone receptor in cloned chinese hamster ovary (CHO) cells
50037130	7	ChEMBL_100012 (CHEMBL709250)	Tested for inhibition of arachidonic acid(AA) release from CHO cells in Human
50037130	8	ChEMBL_100004 (CHEMBL710529)	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to LHRH receptor in monkey (chinese hamster ovary (CHO) cells)
50037130	9	ChEMBL_100018 (CHEMBL880750)	Tested for antagonist concentration required to inhibit specific binding of [125I]leuprorelin to LHRH receptor in rat anterior pituitaries
50037131	1	ChEMBL_63850 (CHEMBL673234)	Inhibitory activity against human endothelin B receptor expressed in CHO cells
50037131	2	ChEMBL_65652 (CHEMBL678072)	Inhibitory activity against human endothelin A receptor expressed in CHO cells
50037132	1	ChEMBL_59634 (CHEMBL672424)	Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (low-affinity)
50037132	2	ChEMBL_59635 (CHEMBL672425)	Affinity for Dopamine receptor D2 using [3H]-YM-09151-2 was carried out on bovine striatal membrane preparations
50037132	3	ChEMBL_60345 (CHEMBL671331)	Affinity for Dopamine receptor D1 using [3H]SCH-23390 was carried out on bovine retinal membrane preparations
50037132	4	ChEMBL_59633 (CHEMBL672423)	Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)
50037133	1	ChEMBL_145593 (CHEMBL749738)	Tested for effective concentration against cloned human Opioid receptor mu 1
50037133	2	ChEMBL_145111 (CHEMBL751994)	In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells
50000662	1	ChEBML_1689663	Displacement of [125I]-pyr-1-apelin-13 from rat C-terminal EGFP-tagged APJ receptor expressed in CHO cell membranes after 3 hrs by Wallac gamma counting
50000663	1	ChEBML_1689672	Displacement of biotinylated VEGF-A (165 residues) from humanized recombinant C-terminal His-tagged VEGFR-1 extracellular domain expressed in baculovirus infected Sf21 cells preincubated for 1 hr followed by btVEGF-A165 addition measured after 2 hrs by ELISA
50000664	1	ChEBML_1689719	Inhibition of PERK activation in rat INS-1 cells assessed as suppression of tunicamycin-induced CHOP mRNA expression after 8 hrs by qRT-PCR analysis
50000665	1	ChEMBL_1689751 (CHEMBL4040321)	Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescene counting
50000665	4	ChEMBL_1689766 (CHEMBL4040336)	Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR-NTD and GAL4-fused AR-LBD after 17 hrs by luciferase reporter gene assay
50000665	5	ChEMBL_1689733 (CHEMBL4040303)	Inhibition of dofetilide binding to human ERG
50000665	6	ChEMBL_1689765 (CHEMBL4040335)	Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay
50000665	2	ChEBML_1689751	Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescene counting
50037134	1	ChEMBL_161599 (CHEMBL769139)	Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2
50037134	2	ChEMBL_66597 (CHEMBL680028)	Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor
50037135	1	ChEMBL_51716 (CHEMBL663531)	Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line
50037135	2	ChEMBL_51710 (CHEMBL665725)	Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae
50037135	3	ChEMBL_51708 (CHEMBL665723)	Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiae
50037135	5	ChEMBL_51711 (CHEMBL665726)	Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiae
50037136	3	ChEMBL_201353 (CHEMBL806215)	Inhibition of [3H]paroxetine binding at serotonin transporter was determined
50037136	4	ChEMBL_62014 (CHEMBL671635)	Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined
50037136	2	ChEMBL_144992 (CHEMBL755918)	Inhibition of [3H]nisoxetine binding at norepinephrine transporter was determined
50037136	6	ChEMBL_202132 (CHEMBL808121)	Inhibition of [3H]paroxetine binding at serotonin transporter was determined
50037136	9	ChEMBL_201353 (CHEMBL806215)	Inhibition of [3H]paroxetine binding at serotonin transporter was determined
50000667	1	ChEBML_1689794	Irreversible inhibition of human 20S proteasome beta5 subunit using suc-LLVY-AMC as substrate after 4 hrs at 30 mins time interval by fluorescence assay
50000668	1	ChEMBL_1689808 (CHEMBL4040378)	Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isoproterenol stimulation measured after 20 mins by cAMP ALPHA-screen assay
50000668	10	ChEMBL_1689805 (CHEMBL4040375)	Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by Lance TR-FRET assay
50000668	2	ChEBML_1689809	Inhibition of recombinant human GST-tagged GRK1 expressed in baculovirus infected fall armyworm Sf9 cells after 60 mins by LanthaScreen eu kinase binding assay
50000668	3	ChEBML_1689810	Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by Lance TR-FRET assay
50000668	4	ChEBML_1689811	Inhibition of recombinant human full length GST-tagged GRK5 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by Lance TR-FRET assay
50000668	5	ChEBML_1689813	Inhibition of recombinant human full length GST-tagged GRK6 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by Lance TR-FRET assay
50037136	12	ChEMBL_61512 (CHEMBL671432)	Inhibition of dopamine (DA) reuptake using cloned human dopamine transporter was determined
50037136	13	ChEMBL_144966 (CHEMBL755084)	Inhibition of Norepinephrine (NA) reuptake using cloned human Norepinephrine transporter was determined
50000668	6	ChEBML_1689812	Inhibition of recombinant human full length GST-tagged GRK7 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by Lance TR-FRET assay
50000668	7	ChEBML_1689806	Inhibition of human PKCalpha active using MBP as substrate after 60 mins in presence of [gamma-32]ATP by scintillation counting
50037136	16	ChEMBL_144967 (CHEMBL755085)	Inhibition of Norepinephrine (NA) reuptake using cloned human transporter was determined
50037137	2	ChEMBL_40137 (CHEMBL656789)	Compound was tested for inhibition against rat Bradykinin receptor B1 using FLIPR assay
50037137	1	ChEMBL_39982 (CHEMBL653556)	Inhibition of human bradykinin B1 receptor
50037137	3	ChEMBL_39981 (CHEMBL653555)	Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay
50037137	4	ChEMBL_40138 (CHEMBL876936)	Compound was tested for inhibition against rat Bradykinin receptor B1
50037138	1	ChEMBL_195507 (CHEMBL798928)	Inhibitory activity of compound against reverse transcriptase (RT) in cell free RT.
50037139	1	ChEMBL_62326 (CHEMBL674265)	Ability to inhibit [3H]DA reuptake at dopamine transporter from rat brain
50037139	2	ChEMBL_144983 (CHEMBL754325)	Ability to inhibit [3H]NE reuptake at norepinephrine transporter from rat brain
50037139	3	ChEMBL_201803 (CHEMBL806138)	Ability to inhibit [3H]5-HT reuptake at serotonin transporter from rat brain
50037140	1	ChEMBL_84877 (CHEMBL694565)	Binding affinity towards histamine H1 receptor
50037140	2	ChEMBL_3562 (CHEMBL620696)	Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor
50037140	3	ChEMBL_61290 (CHEMBL671484)	Binding affinity towards Dopamine receptor D2
50037140	4	ChEMBL_158543 (CHEMBL768686)	Inhibitory activity against Potassium channel HERG
50037140	5	ChEMBL_2471 (CHEMBL617359)	Binding affinity towards Serotonin 5-hydroxytryptamine 2A receptor
50000668	8	ChEBML_1689808	Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isoproterenol stimulation measured after 20 mins by cAMP ALPHA-screen assay
50037142	1	ChEMBL_148222 (CHEMBL754712)	In vitro binding affinity to human Opioid receptor mu 1 on CHO cell membranes using [3H]diprenorphine displacement.
50037142	2	ChEMBL_145252 (CHEMBL751030)	In vitro binding affinity towards human Opioid receptor kappa 1 on CHO cell membranes using [3H]diprenorphine displacement.
50000668	9	ChEBML_1689804	Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK 2-biotin as substrate measured after 60 mins by HTRF/TR-FRET assay
50037143	1	ChEMBL_46981 (CHEMBL659748)	Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]
50037143	2	ChEMBL_46983 (CHEMBL658953)	Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells
50037143	3	ChEMBL_46450 (CHEMBL657898)	Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940
50037143	4	ChEMBL_46451 (CHEMBL657899)	Binding affinity of compound was determined against to human cannabinoid receptor 1 in chinese hamster ovary cells
50037144	1	ChEMBL_203193 (CHEMBL804438)	Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane
50037144	2	ChEMBL_201912 (CHEMBL808202)	Inhibition of [3H]pentazocine binding to Sigma receptor type 1 in guinea pig brain membrane without cerebellum
50037145	1	ChEMBL_44852 (CHEMBL653166)	Inhibition of human recombinant carbonic anhydrase I
50037145	2	ChEMBL_45235 (CHEMBL657193)	Inhibition of human carbonic anhydrase II
50037145	3	ChEMBL_45448 (CHEMBL657972)	Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX.
50037146	3	ChEMBL_61993 (CHEMBL670598)	Binding affinity at the dopamine transporter in rast striatum by [3H]WIN-35428 displacement.
50037146	1	ChEMBL_201642 (CHEMBL806543)	Binding affinity at serotonin transporter in rat striatum by [3H]citalopram displacement.
50037146	2	ChEMBL_144977 (CHEMBL753709)	Binding affinity at the norepinephrine transporter in rat striatum by [3H]nisoxetine displacement.
50037147	3	ChEMBL_36787 (CHEMBL650308)	Compound was tested for inhibition against Angiotensin II receptor, type 1
50037147	7	ChEMBL_36922 (CHEMBL647121)	Inhibition constant against Angiotensin II receptor, type 1 was determined
50037148	1	ChEMBL_50527 (CHEMBL661144)	In vitro cytochrome P450 17A1 inhibition was assayed using the rapid acetic acid releasing assay (AARA), utilizing intact P450c17-expressing Escherichia coli or P450c17-LNCaP cells as the enzyme source.
50037148	2	ChEMBL_50523 (CHEMBL661140)	In vitro inhibition of human Cytochrome P450 17A1 activity
50037148	3	ChEMBL_50520 (CHEMBL661137)	In vitro inhibition of human Cytochrome P450 17A1 activity
50037149	1	ChEMBL_106630 (CHEMBL717014)	Inhibition of Matrix metalloprotease-13
50037149	2	ChEMBL_106627 (CHEMBL717011)	In vitro inhibition of matrix metalloprotease-13
50037149	3	ChEMBL_105512 (CHEMBL715221)	In vitro inhibition of matrix metalloprotease-9
50037149	4	ChEMBL_106287 (CHEMBL714636)	In vitro inhibition of matrix metalloprotease-1
50037149	5	ChEMBL_106289 (CHEMBL714545)	Inhibition of Matrix metalloprotease-1
50037149	6	ChEMBL_212593 (CHEMBL813240)	Inhibition of Tumor necrosis factor alpha converting enzyme at 10 uM
50037149	7	ChEMBL_212592 (CHEMBL813239)	Inhibition of Tumor necrosis factor alpha converting enzyme
50037149	8	ChEMBL_105514 (CHEMBL715223)	Inhibition of Matrix metalloprotease-9
50037150	1	ChEMBL_212594 (CHEMBL812727)	In vitro inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE).
50037150	2	ChEMBL_106632 (CHEMBL717016)	In vitro inhibitory activity against matrix metalloprotease-13.
50037150	3	ChEMBL_105516 (CHEMBL715225)	In vitro inhibitory activity against matrix metalloprotease-9.
50037150	4	ChEMBL_106291 (CHEMBL714547)	In vitro inhibitory activity against matrix metalloprotease-1
50037150	5	ChEMBL_105057 (CHEMBL712196)	Inhibition of Matrix metalloprotease-7
50037150	6	ChEMBL_104890 (CHEMBL715748)	Inhibition of Matrix metalloprotease-3
50037150	7	ChEMBL_212595 (CHEMBL812728)	Inhibition of Tumor necrosis factor alpha converting enzyme (TACE) at 10 uM
50037150	8	ChEMBL_104548 (CHEMBL718934)	Inhibition of Matrix metalloprotease-2
50037150	9	ChEMBL_105207 (CHEMBL713846)	Inhibition of Matrix metalloprotease-8
50037150	10	ChEMBL_106789 (CHEMBL718396)	Inhibition of Matrix metalloprotease-14
50037151	1	ChEMBL_201910 (CHEMBL808200)	Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand
50037151	2	ChEMBL_144985 (CHEMBL754327)	Displacement of [3H]nisoxetine from rat brain norepinephrine transporter
50037151	3	ChEMBL_62338 (CHEMBL674430)	Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain
50037151	4	ChEMBL_201816 (CHEMBL805324)	Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain
50037151	5	ChEMBL_202055 (CHEMBL809528)	Binding affinity against sSigma receptor type 2 was determined by the displacement of [3H]DTG/dextrallorphan radioligand
50037152	1	ChEMBL_105134 (CHEMBL715018)	Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae
50037152	2	ChEMBL_105132 (CHEMBL872687)	Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli
50037153	1	ChEMBL_35503 (CHEMBL646413)	Binding affinity towards aminopeptidase N (APN) from pig kidney
50037153	2	ChEMBL_98401 (CHEMBL881814)	Binding affinity for cytosolic leucine aminopeptidase (LAP) from porcine kidney
50037155	1	ChEMBL_50803 (CHEMBL659771)	Inhibitory activity against DNA polymerase IIIC from Bacillus subtilis was determined
50037157	1	ChEMBL_195099 (CHEMBL800846)	Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver
50037158	2	ChEMBL_3575 (CHEMBL620708)	Binding affinity towards 5-hydroxytryptamine 5 receptor
50037158	4	ChEMBL_3664 (CHEMBL620800)	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50037158	5	ChEMBL_61119 (CHEMBL672309)	Binding affinity towards Dopamine receptor D2
50037158	6	ChEMBL_3592 (CHEMBL618078)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated using [3H]- LSD as radioligand
50037158	8	ChEMBL_33437 (CHEMBL649442)	Binding affinity towards alpha-1-adrenergic receptor
50037158	10	ChEMBL_3791 (CHEMBL619866)	Binding affinity towards rodent 5-hydroxytryptamine 7 receptor
50037158	11	ChEMBL_3749 (CHEMBL620750)	Binding affinity towards rat 5-hydroxytryptamine 7 receptor
50037158	12	ChEMBL_3615 (CHEMBL618118)	Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand
50037158	13	ChEMBL_3413 (CHEMBL620727)	Binding affinity towards 5-hydroxytryptamine 3 receptor
50037158	14	ChEMBL_3600 (CHEMBL618085)	Binding affinity for rodent 5-hydroxytryptamine 5A receptor
50037158	16	ChEMBL_3734 (CHEMBL620735)	Binding affinity towards mouse 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand
50037158	17	ChEMBL_3599 (CHEMBL618084)	Binding affinity towards 5-hydroxytryptamine 5A receptor
50037158	18	ChEMBL_3590 (CHEMBL618076)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor
50037158	20	ChEMBL_3676 (CHEMBL620811)	Binding affinity towards 5-hydroxytryptamine 6 receptor
50037158	19	ChEMBL_3688 (CHEMBL620823)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor
50037158	15	ChEMBL_3590 (CHEMBL618076)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor
50037158	25	ChEMBL_3613 (CHEMBL875093)	Binding affinity towards human 5-hydroxytryptamine 6 receptor
50037158	26	ChEMBL_1544 (CHEMBL872906)	Binding affinity towards 5-hydroxytryptamine 1A receptor
50037158	27	ChEMBL_3687 (CHEMBL620822)	Binding affinity towards human 5-hydroxytryptamine 7 receptor
50037158	28	ChEMBL_3591 (CHEMBL618077)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor was evaluated using [125I]-2-iodo LSD as radioligand
50037158	29	ChEMBL_32775 (CHEMBL644359)	Binding affinity towards Alpha-2 adrenergic receptor
50037158	30	ChEMBL_3612 (CHEMBL618095)	Binding affinity towards [3H]LSD-labeled human 5-hydroxytryptamine 6 receptor
50037158	31	ChEMBL_3750 (CHEMBL620751)	Binding affinity towards rat 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand
50037158	32	ChEMBL_2451 (CHEMBL617340)	Binding affinity towards 5-hydroxytryptamine 2A receptor
50037159	1	ChEMBL_32436 (CHEMBL646097)	In vitro binding affinity at human Alpha-1D adrenergic receptor.
50037159	2	ChEMBL_34333 (CHEMBL648993)	In vitro binding affinity at human Alpha-1B adrenergic receptor.
50037159	3	ChEMBL_32437 (CHEMBL646098)	In vitro binding affinity at human Alpha-1D adrenergic receptor.
50037159	4	ChEMBL_33611 (CHEMBL652818)	In vitro binding affinity at human Alpha-1A adrenergic receptor.
50037160	1	ChEMBL_62627 (CHEMBL678249)	In vitro dopamine transporter binding affinity using [3H]WIN-35428 as radioligand was determined
50037160	2	ChEMBL_138942 (CHEMBL745922)	Binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]pirenzepine as radioligand was determined
50037160	3	ChEMBL_62471 (CHEMBL679108)	Binding affinity towards dopamine transporter
50037160	4	ChEMBL_62009 (CHEMBL671631)	In vitro potency for inhibiting [3H]- dopamine uptake was determined
50037160	5	ChEMBL_62008 (CHEMBL671630)	In vitro potency for inhibiting [3H]- dopamine uptake in rat brain was determined
50037160	6	ChEMBL_144986 (CHEMBL754328)	Binding affinity towards norepinephrine transporter using [3H]nisoxetine as radioligand was determined
50037160	7	ChEMBL_201832 (CHEMBL805339)	Binding affinity towards serotonin transporter using [3H]citalopram as radioligand was determined
50037160	8	ChEMBL_62006 (CHEMBL670189)	In vitro inhibitory activity of dopamine transporter using [3H]WIN-35428 as radioligand was determined
50037161	1	ChEMBL_71827 (CHEMBL683658)	Concentration required to inhibit recombinant human geranylgeranyl transferase type I (GGTase-I) catalyzed incorporation of [3H]GGPP to the C-terminus of human K-Ras.
50037161	2	ChEMBL_79070 (CHEMBL692146)	Inhibition of hDJ2 protein farnesylation
50037161	3	ChEMBL_70431 (CHEMBL681288)	Concentration required to inhibit recombinant human farnesyltransferase (FTase) catalyzed incorporation of [3H]FPP into recombinant Ras-CVIM.
50037161	4	ChEMBL_165974 (CHEMBL774952)	Inhibition of Rap1a protein geranylgeranylation in human PSN1 cells
50037162	1	ChEMBL_145253 (CHEMBL751031)	Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593
50037162	4	ChEMBL_148867 (CHEMBL753745)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue
50037162	3	ChEMBL_147030 (CHEMBL753671)	Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue
50037162	7	ChEMBL_148223 (CHEMBL754713)	Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO
50037163	1	ChEMBL_159656 (CHEMBL761610)	Inhibitory activity against Poly (ADP-ribose) polymerase 1
50000671	6	ChEMBL_1689938 (CHEMBL4040508)	Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes assessed as increase in glutamate-induced [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 30 mins by Topcount scintillation counting method
50000671	1	ChEMBL_1689940 (CHEMBL4040510)	Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting analysis
50000671	2	ChEMBL_1689937 (CHEMBL4040507)	Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay
50000671	3	ChEBML_1689939	Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method
50000671	5	ChEMBL_1689939 (CHEMBL4040509)	Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method
50037164	9	ChEMBL_147235 (CHEMBL754923)	Agonistic activity towards opioid receptor kappa 1
50037164	5	ChEMBL_148099 (CHEMBL751581)	Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand
50000671	4	ChEMBL_1689959 (CHEMBL4040529)	Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cells assessed as cellular impedance measured for 20 mins with 15 sec time interval followed by 40 mins with 5 mins time interval and subsequently measured with 15 mins time interval in presence of endogenous glutamate levels by RTCA
50037165	1	ChEMBL_195660 (CHEMBL800044)	Inhibitory concentration required against Reverse transcriptase (RT)
50037166	1	ChEMBL_144317 (CHEMBL754362)	Inhibitory activity against neutral endopeptidase (NEP) from human blood serum
50037166	2	ChEMBL_35229 (CHEMBL648951)	Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat cortex brain membrane
50037166	3	ChEMBL_36901 (CHEMBL648691)	Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum
50037166	4	ChEMBL_144608 (CHEMBL751027)	Inhibitory activity against neutral endopeptidase (NEP) from rat cortex brain membrane
50037166	5	ChEMBL_36757 (CHEMBL652025)	Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney
50037167	1	ChEMBL_50832 (CHEMBL657264)	Inhibition of Cyclin-dependent kinase 2-cyclin A
50037167	2	ChEMBL_71138 (CHEMBL686319)	Inhibition of human Glycogen synthase kinase-3 beta (GSK3-beta) at 100 uM ATP
50037167	3	ChEMBL_71140 (CHEMBL686321)	Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at 100 uM ATP
50037168	1	ChEMBL_80 (CHEMBL615201)	In vitro inhibition of human 2,3-oxidosqualene cyclase.
50037168	2	ChEMBL_79 (CHEMBL615200)	In vitro inhibition of human 2,3-oxidosqualene cyclase.
50037169	1	ChEMBL_141613 (CHEMBL747929)	Inhibitory activity against Bacillus subtilis NAD synthetase
50037171	1	ChEMBL_144289 (CHEMBL754790)	Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide
50037172	1	ChEMBL_162193 (CHEMBL766712)	Inhibition of human purine nucleoside phosphorylase; Initial rate.
50037172	2	ChEMBL_162195 (CHEMBL856601)	Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition
50037173	1	ChEMBL_55110 (CHEMBL665437)	Inhibition of rat liver Dihydrofolate reductase (rlDHFR)
50037174	1	ChEMBL_51128 (CHEMBL663563)	Affinity for the Corticotropin releasing factor receptor 1 (CRHR1) was determined in rat brain
50037175	1	ChEMBL_158887 (CHEMBL760875)	Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells
50037176	1	ChEMBL_37039 (CHEMBL650835)	Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated
50037177	1	ChEMBL_208359 (CHEMBL813669)	In vitro inhibition constant (Ki) against human thrombin
50037177	2	ChEMBL_208070 (CHEMBL814420)	In vitro inhibition constant (Ki) against human Tissue type plasminogen activator was determined
50037177	3	ChEMBL_212564 (CHEMBL814922)	In vitro inhibition constant (Ki) against human trypsin was determined
50037177	4	ChEMBL_212513 (CHEMBL817578)	In vitro inhibition constant (Ki) against human bovine trypsin was determined
50037177	5	ChEMBL_155397 (CHEMBL765938)	In vitro inhibition constant (Ki) against human plasmin was determined
50037177	6	ChEMBL_48804 (CHEMBL662829)	In vitro inhibition constant (Ki) against human Coagulation factor X was determined
50037178	2	ChEMBL_144104 (CHEMBL751508)	Inhibitory activity against Na+/K+ ATPase measured by 32P-ATP hydrolysis method
50037178	3	ChEMBL_144106 (CHEMBL751510)	Inhibitory activity against Na+/K+ ATPase was determined in guinea pig
50037178	4	ChEMBL_144103 (CHEMBL751507)	Inhibitory activity against Na+/K+ ATPase
50037179	9	ChEMBL_106359 (CHEMBL714439)	Inhibitory activity against human melanocortin receptor human Melanocortin 4 receptor was determined
50000672	1	ChEMBL_1689971 (CHEMBL4040541)	Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followed by agonist addition by Fluor-4 AM dye based assay
50000672	6	ChEMBL_1689987 (CHEMBL4040557)	Agonist activity at human N-terminal HA-tagged CB2 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay
50000672	2	ChEMBL_1689972 (CHEMBL4040542)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 20 mins followed by forskolin addition measured after 30 mins by HTRF assay
50000672	3	ChEBML_1689963	Agonist activity at human CB1 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay
50000672	7	ChEMBL_1689966 (CHEMBL4040536)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as induction of Ca2+ flux after 10 mins by Fluor-4 AM dye based assay
50000672	4	ChEBML_1689971	Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followed by agonist addition by Fluor-4 AM dye based assay
50037179	10	ChEMBL_106656 (CHEMBL713001)	Inhibitory activity against human melanocortin receptor human Melanocortin 5 receptor was determined
50000672	5	ChEBML_1689986	Agonist activity at rat CB1 receptor expressed in mouse AtT20 cells by FLIPR membrane potential assay
50037180	9	ChEMBL_30480 (CHEMBL641432)	Binding affinity for rat Adenosine A3 receptor in CHO cells using [125I]iodo-AB-MECA 
50000673	1	ChEBML_1689996	Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAMP level preincubated for 15 to 20 mins followed by DAMGO and forskolin addition by GloSensor assay
50037181	2	ChEMBL_51928 (CHEMBL663576)	Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 45 minutes
50037181	3	ChEMBL_158550 (CHEMBL768693)	Effective concentration against Potassium voltage gated channel KQT-like subfamily, member 2 expressed in HEK 293 cells
50037181	4	ChEMBL_51544 (CHEMBL660404)	Inhibition of recombinant human Cytochrome P450 2C9
50037181	5	ChEMBL_51929 (CHEMBL663577)	Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 5 minutes
50037181	6	ChEMBL_51368 (CHEMBL663699)	Inhibition of recombinant human Cytochrome P450 1A2
50037181	1	ChEMBL_51927 (CHEMBL663575)	Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutes
50037181	7	ChEMBL_51924 (CHEMBL663572)	Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin]
50037181	8	ChEMBL_51926 (CHEMBL663574)	Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 15 minutes
50000673	2	ChEBML_1689990	Agonist activity at recombinant human KOR expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP level preincubated for 15 to 20 mins followed by forskolin addition by GloSensor assay
50037181	9	ChEMBL_51207 (CHEMBL664326)	Inhibition of recombinant human Cytochrome P450 19A1
50037181	10	ChEMBL_158551 (CHEMBL768694)	Effective concentration against Potassium voltage gated channel, KQT-like subfamily, member 2 expressed in SH-SY5Y human neuroblastoma cells
50037181	11	ChEMBL_51733 (CHEMBL665268)	Inhibition of recombinant human Cytochrome P450 2D6
50000673	3	ChEMBL_1689990 (CHEMBL4040560)	Agonist activity at recombinant human KOR expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP level preincubated for 15 to 20 mins followed by forskolin addition by GloSensor assay
50037181	12	ChEMBL_51925 (CHEMBL663573)	Inhibition of recombinant human Cytochrome P450 3A4 with Benzoylresorufin
50037182	1	ChEMBL_208211 (CHEMBL873990)	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)
50037182	2	ChEMBL_208213 (CHEMBL815478)	In Vitro inhibition of Thymidine Monophosphatase Kinase (TMPKh)
50037183	1	ChEMBL_32765 (CHEMBL643710)	Binding affinity for rat cortex Alpha-2 adrenergic receptor was determined using [3H]-RX 81002 binding
50037183	2	ChEMBL_58521 (CHEMBL672016)	Binding affinity for rat striatum Dopamine receptor D1 by [3H]-SCH- -2339 displacement.
50037183	3	ChEMBL_62751 (CHEMBL674592)	Binding affinity for rat striatum Dopamine receptor D3 (sf9 cells) by [3H]7-OH-DPAT displacement.
50037183	4	ChEMBL_1092 (CHEMBL616415)	Binding affinity for rat hippocampus 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding
50037183	5	ChEMBL_62233 (CHEMBL675744)	Binding affinity for rat striatum Dopamine receptor D2 by [3H]spiperone displacement.
50037183	6	ChEMBL_62916 (CHEMBL670711)	Basal binding towards Dopamine receptor D3 was evaluated using [35S]- GTP-gamma S radioligand
50037183	7	ChEMBL_33275 (CHEMBL643613)	Binding affinity for rat cortex alpha-1 adrenergic receptor by inhibition of [3H]prazosin binding
50037183	8	ChEMBL_33298 (CHEMBL646151)	Binding affinity for rat cortex alpha-2 adrenergic receptor was determined using [3H]-RX 81002 binding
50000673	4	ChEMBL_1689996 (CHEMBL4040566)	Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed as reduction in DAMGO-induced inhibition of forskolin-stimulated cAMP level preincubated for 15 to 20 mins followed by DAMGO and forskolin addition by GloSensor assay
50037183	9	ChEMBL_62614 (CHEMBL678237)	Basal binding towards Dopamine receptor D3 was evaluated using [35S]- GTP-gamma S radioligand
50037184	1	ChEMBL_104732 (CHEMBL874161)	Inhibitory activity against matrix metalloprotease-3 (MMP3)
50037184	2	ChEMBL_106113 (CHEMBL713706)	Inhibitory activity against matrix metalloprotease-1 (MMP1)
50037184	3	ChEMBL_104390 (CHEMBL714993)	Inhibitory activity against matrix metalloprotease-2 (MMP2)
50037184	4	ChEMBL_106606 (CHEMBL717443)	Inhibitory activity against matrix metalloprotease-13 (MMP13)
50037184	5	ChEMBL_105365 (CHEMBL712901)	Inhibitory activity against matrix metalloprotease-9 (MMP9)
50037184	6	ChEMBL_106276 (CHEMBL878345)	Inhibition of Matrix metalloprotease-1 (MMP1)
50037185	2	ChEMBL_146382 (CHEMBL754739)	Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig
50037185	5	ChEMBL_148098 (CHEMBL751580)	Binding affinity determined against Opioid receptor mu 1 from human cloned receptor
50000674	4	ChEMBL_1690004 (CHEMBL4040574)	Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000674	1	ChEMBL_1690005 (CHEMBL4040575)	Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay
50000674	2	ChEBML_1690006	Inhibition of ATX in rat plasma assessed as reduction in plasma lysophosphatidic acid 18:2 levels after 2 hrs by LC-MS/MS method
50037186	1	ChEMBL_39228 (CHEMBL655074)	In vitro inhibition of bovine trypsin.
50037186	2	ChEMBL_210834 (CHEMBL811863)	Inhibitory activity of compound was determined against human Tryptase beta
50037186	3	ChEMBL_210835 (CHEMBL811864)	In vitro inhibition of human Tryptase beta.
50037186	4	ChEMBL_39227 (CHEMBL655073)	Beta-Trypsin inhibitory activity of compound was determined
50037187	1	ChEMBL_52688 (CHEMBL666143)	Inhibition of human Cyclin-dependent kinase 1 cyclin B
50037187	2	ChEMBL_52684 (CHEMBL666139)	Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinase, Pfmrk
50000674	3	ChEBML_1690005	Inhibition of glycosylated human ATX using LPC 16:0 as substrate after 30 mins by luminescence assay
50037187	3	ChEMBL_52679 (CHEMBL666134)	Inhibition of Plasmodium falciparum cyclin dependent protein kinase, PfPK5
50037188	1	ChEMBL_144336 (CHEMBL751847)	Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.
50037189	1	ChEMBL_83644 (CHEMBL693106)	Binding affinity to the human histamine H3 receptor
50037189	2	ChEMBL_87090 (CHEMBL700768)	Binding affinity to the human histamine H4 receptor
50037189	3	ChEMBL_87092 (CHEMBL700770)	Displacement of [3H]- histamine from the recombinant human histamine H4 receptor
50037189	4	ChEMBL_87231 (CHEMBL696451)	Binding affinity of compound towards rat histamine H4 receptor
50037190	1	ChEMBL_208120 (CHEMBL818151)	Inhibitory activity against human thrombin
50037191	1	ChEMBL_161442 (CHEMBL772576)	Inhibition of Protein kinase C theta
50037191	2	ChEMBL_50671 (CHEMBL662526)	Inhibition of Cyclin-dependent kinase 2 (CDK2)
50037191	5	ChEMBL_161149 (CHEMBL767417)	Inhibition of Protein kinase C gamma (PKC-gamma)
50037191	6	ChEMBL_71153 (CHEMBL684979)	Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)
50037191	11	ChEMBL_160613 (CHEMBL768097)	Inhibition of Protein kinase C beta 2
50000676	1	ChEBML_1690031	Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after 60 mins by DELFIA
50037192	1	ChEMBL_207996 (CHEMBL816078)	Inhibitory activity against thrombin (IIa).
50037192	2	ChEMBL_48634 (CHEMBL659615)	Inhibitory activity against coagulation factor X.
50037192	3	ChEMBL_48452 (CHEMBL662230)	Inhibitory activity against tissue coagulation factor VII.
50037193	1	ChEMBL_144311 (CHEMBL754356)	Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 3
50037193	2	ChEMBL_144308 (CHEMBL754353)	Evaluated for binding affinity by inhibiting binding of [125I]-Tyr(3)-NT to human Neurotensin receptor 1
50037193	3	ChEMBL_144310 (CHEMBL754355)	Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2
50037194	1	ChEMBL_146916 (CHEMBL757504)	Binding affinity against Opioid receptor delta 1 isolated from rat brain membrane was determined using [3H][Ile]-deltorphin as radioligand
50037194	2	ChEMBL_145707 (CHEMBL753915)	Binding affinity against Opioid receptor kappa 1 isolated from rat brain membrane was determined using [3H]U-69593 as radioligand
50037194	3	ChEMBL_148855 (CHEMBL756651)	Binding affinity against Opioid receptor mu 1 isolated from rat brain membrane was determined using [3H]DAMGO as radioligand
50037195	1	ChEMBL_3563 (CHEMBL620697)	Inhibitory constant against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 radioligand
50037195	2	ChEMBL_2672 (CHEMBL617920)	In vitro inhibitory constant against [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex
50037195	3	ChEMBL_2727 (CHEMBL617287)	Inhibitory constant against cloned human 5-hydroxytryptamine 2C receptor using with [125I]- DOI radioligand
50037195	4	ChEMBL_2258 (CHEMBL617484)	Inhibitory constant against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand
50037195	5	ChEMBL_2569 (CHEMBL617116)	The receptor (5-hydroxytryptamine 2A ) mediated mobilization of intracellular calcium [Ca2+] was studied in rat smooth muscle cells
50037195	6	ChEMBL_2565 (CHEMBL617112)	In vitro relative agonist activity against 5-hydroxytryptamine 2A using PI assay in rat vascular smooth muscle cells
50037195	7	ChEMBL_620 (CHEMBL615170)	Tested for functional response on CHO cells expressing cloned human 5-hydroxytryptamine 1A receptor
50037195	8	ChEMBL_2871 (CHEMBL617774)	Inhibitory constant against cloned human 5-hydroxytryptamine 2B receptor using with [125I]- DOI radioligand
50037195	9	ChEMBL_144998 (CHEMBL756260)	Inhibitory constant against norepinephrine transporter receptor using [3H]radioligand
50037195	10	ChEMBL_201487 (CHEMBL805618)	Inhibitory constant against human serotonin transporter using [3H]N-Me-citalopram radioligand
50037195	11	ChEMBL_2588 (CHEMBL617456)	In vitro inhibition of [125I]DOI binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex
50037195	12	ChEMBL_691 (CHEMBL616274)	In vitro inhibitory concentration required against [3H]8-OH-DPAT binding to cloned human 5-hydroxytryptamine 1A receptor
50037195	13	ChEMBL_3472 (CHEMBL618888)	Inhibitory constant against 5-hydroxytryptamine 3 receptor using [3H]GR-65630 radioligand
50037195	14	ChEMBL_33509 (CHEMBL647006)	Inhibitory constant against Alpha-2B adrenergic receptor using [3H]MK-912 radioligand
50037195	15	ChEMBL_32299 (CHEMBL646246)	Inhibitory constant against Alpha-1B adrenergic radioligand
50037195	16	ChEMBL_33214 (CHEMBL643239)	Inhibitory concentration required against Alpha-2A adrenergic receptor using [3H]clonidine radioligand
50037195	17	ChEMBL_34180 (CHEMBL648419)	Inhibitory constant against alpha-1A receptor using [3H]-7-MeO prazosin radioligand
50037195	18	ChEMBL_2259 (CHEMBL617485)	Inhibitory constant against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand
50037195	19	ChEMBL_2310 (CHEMBL617517)	Inhibitory constant determined against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand
50037195	20	ChEMBL_3576 (CHEMBL620709)	Inhibitory constant against human 5-hydroxytryptamine 5A receptor using [3H]LSD radioligand
50037195	21	ChEMBL_3629 (CHEMBL618241)	Inhibitory constant against human 5-hydroxytryptamine 6 receptor using [3H]LSD radioligand
50037195	22	ChEMBL_1950 (CHEMBL617557)	Inhibitory constant against human 5-hydroxytryptamine 1B receptor using [3H]5-CT radioligand
50037195	23	ChEMBL_201486 (CHEMBL805243)	Inhibitory constant against human serotonin transporter using [3H]N-Me-citalopram radioligand
50037195	24	ChEMBL_33517 (CHEMBL648609)	Inhibitory concentration required against Alpha-2C adrenergic receptor using [3H]clonidine radioligand
50037195	25	ChEMBL_1839 (CHEMBL616810)	Inhibitory constant against 5-hydroxytryptamine 1B receptor using with [125I]- cyanopindolol radioligand
50037195	26	ChEMBL_2309 (CHEMBL617516)	Inhibitory constant against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand
50037195	27	ChEMBL_34178 (CHEMBL648417)	Inhibitory constant against Alpha-1A adrenergic receptor using [3H]-7-MeO prazosin radioligand
50037195	28	ChEMBL_2260 (CHEMBL617486)	Inhibitory constant against cloned human 5-hydroxytryptamine 2A receptor using with [125I]- DOI radioligand
50037195	29	ChEMBL_1951 (CHEMBL617558)	Inhibitory constant against human 5-hydroxytryptamine 1D receptor using [3H]5-CT radioligand
50037195	30	ChEMBL_1043 (CHEMBL616244)	In vitro inhibitory concentration required against [3H]8-OH-DPAT binding to cloned human 5-hydroxytryptamine 1A receptor
50037195	31	ChEMBL_33516 (CHEMBL648608)	Inhibitory concentration required against Alpha-2A adrenergic receptor using [3H]clonidine radioligand
50037195	32	ChEMBL_3701 (CHEMBL621550)	Inhibitory constant against human 5-hydroxytryptamine 7 receptor using [3H]LSD radioligand
50037195	33	ChEMBL_34179 (CHEMBL648418)	Inhibitory constant against Alpha-1B adrenergic receptor using [3H]-7-MeO prazosin radioligand
50037195	34	ChEMBL_33213 (CHEMBL643238)	Inhibitory concentration required against Alpha-2A adrenergic receptor using [3H]clonidine radioligand
50037196	1	ChEMBL_2813 (CHEMBL617842)	Displacement of [3H]mesulergine (0.5 nM) from rat 5-hydroxytryptamine 2C receptor expressed in SR-3T3 cells
50037196	2	ChEMBL_2576 (CHEMBL617123)	Ability to displace [3H]ketanserin (0.5 nM) from cerebral cortex of rat 5-hydroxytryptamine 2A receptor
50037196	3	ChEMBL_32720 (CHEMBL645992)	Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells
50037196	4	ChEMBL_894 (CHEMBL615805)	Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptor
50037196	5	ChEMBL_34197 (CHEMBL649214)	Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells
50037196	6	ChEMBL_58505 (CHEMBL672000)	Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1
50037196	7	ChEMBL_2600 (CHEMBL617468)	Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors
50037196	8	ChEMBL_33584 (CHEMBL647135)	Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells
50037196	9	ChEMBL_2956 (CHEMBL617896)	Ability to displace [3H]mesulergine (0.5 nM) from CHO cells of human 5-hydroxytryptamine 2C receptor
50037196	10	ChEMBL_62107 (CHEMBL674985)	Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3
50037196	11	ChEMBL_62077 (CHEMBL672376)	Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor
50037196	12	ChEMBL_63101 (CHEMBL674494)	Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells
50037196	13	ChEMBL_1336 (CHEMBL616962)	Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor
50037196	14	ChEMBL_58530 (CHEMBL884446)	Ability to displace [3H]spiperone (0.5 nM) from corpus striatum of rat Dopamine receptor D2
50037196	15	ChEMBL_58163 (CHEMBL672686)	Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1
50037196	16	ChEMBL_2812 (CHEMBL875915)	Ability to displace [3H]mesulergine (0.5 nM) from SR-3T3 cells of rat 5-HT2C receptor
50037196	17	ChEMBL_1337 (CHEMBL616963)	Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor receptor
50037197	2	ChEMBL_145234 (CHEMBL755685)	Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells
50037197	3	ChEMBL_148089 (CHEMBL751571)	Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells
50000676	2	ChEMBL_1690028 (CHEMBL4040598)	Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr followed by FCS stimulation for 4 hrs by Western blot analysis
50000676	3	ChEBML_1690028	Inhibition of IKKalpha in human U2OS cells assessed as decrease in FCS induced p100 phosphorylation at ser866/870 residues preincubated for 1 hr followed by FCS stimulation for 4 hrs by Western blot analysis
50037198	4	ChEMBL_149336 (CHEMBL756439)	Binding affinity towards Opioid receptor mu 1 using [3H]- CTOP as radioligand
50037198	3	ChEMBL_145748 (CHEMBL752637)	In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assay, MVD
50037198	6	ChEMBL_145057 (CHEMBL753991)	Binding affinity towards Opioid receptor delta 1 using [3H]- [p-CIPhe4] DPDPE as radioligand
50037198	2	ChEMBL_149204 (CHEMBL759543)	Binding affinity towards oxytocin receptor
50037198	9	ChEMBL_48762 (CHEMBL666788)	Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor was determined
50037198	8	ChEMBL_106187 (CHEMBL714606)	Effective concentration required for the biological activity against human Melanocortin 4 receptor
50037198	11	ChEMBL_47670 (CHEMBL657382)	Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor was determined
50037198	1	ChEMBL_105824 (CHEMBL716484)	Effective concentration required for the biological activity against human Melanocortin 1 receptor
50000676	4	ChEMBL_1690030 (CHEMBL4040600)	Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBalpha as substrate after 60 mins by DELFIA
50037199	1	ChEMBL_38727 (CHEMBL647263)	Inhibitory concentration against Bcl-xl
50037200	1	ChEMBL_40261 (CHEMBL653277)	Inhibitory activity against Beta-lactamase from DMSO stock was determined
50037200	2	ChEMBL_40260 (CHEMBL877274)	Inhibitory activity against Amp C beta-Lactamase
50037200	3	ChEMBL_40383 (CHEMBL649990)	Inhibitory activity against TEM-1 Beta-lactamase mutant M182T at 42 degree Centigrade
50037200	4	ChEMBL_40382 (CHEMBL649989)	Inhibitory activity against TEM-1 Beta-lactamase mutant G238A at 42 degree Centigrade
50037200	5	ChEMBL_40381 (CHEMBL649988)	Inhibitory activity against TEM-1 Beta-lactamase mutant G238A at 24 degree Centigrade
50037201	1	ChEMBL_159833 (CHEMBL763201)	The compound was tested for its ability to inhibit bovine thymus polyadenosine diphosphoribose glycohydrolase (bPARG)
50037201	2	ChEMBL_223293 (CHEMBL844624)	The compound was tested for its ability to inhibit bovine thymus polyadenosine diphosphoribose glycohydrolase (bPARG)
50037201	3	ChEMBL_159835 (CHEMBL765131)	The compound was tested for its ability to inhibit recombinant bovine polyadenosine diphosphoribose glycohydrolase catalytic fragment (rPARG-CF)
50037202	1	ChEMBL_62280 (CHEMBL675050)	Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells
50037202	2	ChEMBL_62281 (CHEMBL675051)	Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells
50037202	3	ChEMBL_62282 (CHEMBL675052)	Compound was measured for its ability to compete with [3H]spiperone binding to the human Dopamine receptor D3 transfected in CHO cells
50037202	4	ChEMBL_62279 (CHEMBL675049)	Compound was measured for its ability to compete with [125I]NCQ298 binding to the human Dopamine receptor D3 transfected in CHO cells
50037203	1	ChEMBL_49921 (CHEMBL664290)	Compound was tested for the inhibition of Chymotrypsinogen
50037203	2	ChEMBL_40567 (CHEMBL651415)	Compound was tested for the inhibition of beta-lactamase
50037203	3	ChEMBL_104019 (CHEMBL709628)	Inhibition of malate dehydrogenase (MDH)
50037203	4	ChEMBL_196523 (CHEMBL801069)	Therapeutic concentration on reverse transcriptase
50037203	5	ChEMBL_215904 (CHEMBL820836)	Compound was tested for the inhibition of beta-lactamase
50037204	1	ChEMBL_39639 (CHEMBL649945)	Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)
50037205	2	ChEMBL_156452 (CHEMBL764830)	Inhibition of bovine aorta PDE3 (phosphodiesterase 3)
50037205	3	ChEMBL_155183 (CHEMBL761830)	Inhibitory activity against bovine PDE5 (phosphodiesterase-5).
50037205	4	ChEMBL_156317 (CHEMBL762550)	Inhibition of human recombinant PDE2 (phosphodiesterase 2)
50037206	1	ChEMBL_48049 (CHEMBL666774)	Inhibitory concentration against mammalian m-constitutive androstane receptor (mCAR) activity
50037207	1	ChEMBL_164502 (CHEMBL771478)	Inhibitory activity against HIV-1 reverse transcriptase (RT M184V)
50037207	2	ChEMBL_196192 (CHEMBL803637)	Inhibitory activity against HIV-1 Reverse transcriptase wild-type (RT wt)
50037207	3	ChEMBL_164500 (CHEMBL771477)	Inhibitory activity against HIV-1 reverse transcriptase (RT M184I)
50037208	3	ChEMBL_87869 (CHEMBL697291)	Inhibition of Histone deacetylase 1 induced acetylated histone in mammalian cells.
50037208	4	ChEMBL_87879 (CHEMBL698798)	Tested for maize Histone deacetylase 2 inhibitory activity
50037208	5	ChEMBL_88026 (CHEMBL695890)	Tested for inhibition of Histone deacetylase 6 induced acetylated tubulin in mammalian cells.
50037208	6	ChEMBL_87890 (CHEMBL698808)	Inhibition of Histone deacetylase 4 in mammalian cells.
50037208	9	ChEMBL_87878 (CHEMBL697300)	Inhibitory activity against maize Histone deacetylase 2 at 1 mM
50037208	10	ChEMBL_87868 (CHEMBL697290)	Inhibition of Histone deacetylase 1 induced acetylated histone in mammalian cells
50037209	1	ChEMBL_31361 (CHEMBL644653)	Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	2	ChEMBL_31358 (CHEMBL644650)	Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	3	ChEMBL_31360 (CHEMBL644652)	Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	4	ChEMBL_31357 (CHEMBL644649)	Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 
50037209	5	ChEMBL_31359 (CHEMBL644651)	Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	6	ChEMBL_31351 (CHEMBL641572)	Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.
50037209	7	ChEMBL_31353 (CHEMBL641574)	Binding affinity against H278E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	8	ChEMBL_31363 (CHEMBL644655)	Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037209	9	ChEMBL_31362 (CHEMBL644654)	Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385
50037210	1	ChEMBL_159278 (CHEMBL764262)	In vitro inhibitory activity against Prostaglandin G/H synthase 1 (COX-1)
50037210	2	ChEMBL_157990 (CHEMBL769472)	In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
50037211	1	ChEMBL_53364 (CHEMBL664534)	Inhibitory activity against Dipeptidylpeptidase IV (DPP IV)
50037211	2	ChEMBL_53367 (CHEMBL666613)	Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)
50037211	3	ChEMBL_53369 (CHEMBL666615)	Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)
50037211	4	ChEMBL_53365 (CHEMBL664535)	Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)
50037211	5	ChEMBL_53502 (CHEMBL666472)	Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)
50037212	1	ChEMBL_203049 (CHEMBL811393)	Inhibition of steroid sulfatase
50037213	1	ChEMBL_87394 (CHEMBL691509)	Inhibitory concentration determined against Histone deacetylase from Eimeria tenella
50037213	3	ChEMBL_87858 (CHEMBL701996)	Inhibitory concentration against recombinant human Histone deacetylase 1
50037213	6	ChEMBL_87857 (CHEMBL701995)	Inhibitory concentration against human Histone deacetylase 1
50037213	8	ChEMBL_207282 (CHEMBL811365)	Inhibition of acetylation of histone-4 in human T-24 cancer cells
50037213	10	ChEMBL_87859 (CHEMBL701997)	Inhibitory concentration against human Histone deacetylase 1
50037213	11	ChEMBL_87877 (CHEMBL697299)	Inhibitory concentration against maize Histone deacetylase 2
50000677	1	ChEBML_1690071	Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50037213	14	ChEMBL_87894 (CHEMBL698975)	Inhibitory concentration against human Histone deacetylase 6
50000677	2	ChEBML_1690072	Activation of GAL4 fused human LXR beta expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50037213	16	ChEMBL_87888 (CHEMBL698806)	Inhibitory concentration against human Histone deacetylase 4
50000682	1	ChEMBL_1690092 (CHEMBL4040662)	Antagonist activity at human PAR1 expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of haTRAP-induced calcium mobilization preincubated for 15 mins followed by haTRAP addition by calcium-4 dye based FLIPR assay
50037213	12	ChEMBL_87876 (CHEMBL697298)	Inhibitory concentration against human Histone deacetylase 2
50000682	4	ChEMBL_1690109 (CHEMBL4040679)	Antagonist activity at PAR1 in human platelet-rich plasma assessed as reduction in thrombin-stimulated platelet aggregation preincubated for 3 mins followed by thrombin stimulation measured after 5 mins by aggregometric analysis
50000682	2	ChEMBL_1690108 (CHEMBL4040678)	Antagonist activity at PAR1 in human platelet-rich plasma assessed as reduction in TRAP-stimulated platelet aggregation preincubated for 20 mins followed by TRAP stimulation measured after 5 mins by aggregometric analysis
50037213	17	ChEMBL_87860 (CHEMBL697283)	Inhibitory concentration against human Histone deacetylase 1 (C151S)
50000682	3	ChEBML_1690109	Antagonist activity at PAR1 in human platelet-rich plasma assessed as reduction in thrombin-stimulated platelet aggregation preincubated for 3 mins followed by thrombin stimulation measured after 5 mins by aggregometric analysis
50000683	1	ChEBML_1690208	Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay
50000683	2	ChEMBL_1690210 (CHEMBL4040780)	Binding affinity to FXR (unknown origin) ligand binding domain by ITC assay
50000684	1	ChEBML_1690270	Inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production after 15 mins by amplex red-based fluorescence assay
50000684	3	ChEMBL_1690275 (CHEMBL4040845)	Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by Lineweaver-Burk plot analysis
50000684	2	ChEBML_1690271	Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production after 15 mins by amplex red-based fluorescence assay
50037214	5	ChEMBL_145113 (CHEMBL751851)	Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes
50000684	4	ChEMBL_1690270 (CHEMBL4040840)	Inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production after 15 mins by amplex red-based fluorescence assay
50000685	1	ChEBML_1690300	Inhibition of CYP1A2 (unknown origin)
50000685	2	ChEBML_1690301	Inhibition of CYP2C9 (unknown origin)
50000685	3	ChEBML_1690302	Inhibition of CYP2C19 (unknown origin)
50000685	4	ChEBML_1690303	Inhibition of CYP2D6 (unknown origin)
50000685	5	ChEBML_1690309	Inhibition of Nav1.5 (unknown origin) by patch clamp assay
50000685	17	ChEMBL_1690284 (CHEMBL4040854)	Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin) expressed in mouse LTK cells assessed as potentiation of GABA-mediated increase in channel current under holding potential at -80 mV preincubated for 30 secs followed by GABA stimulation for 2 secs by automated patch clamp assay
50000685	7	ChEBML_1690312	Inhibition of Cav1.2 (unknown origin) by patch clamp assay
50000685	9	ChEBML_1690314	Inhibition of Kv1.5 (unknown origin) by patch clamp assay
50000685	10	ChEBML_1690316	Inhibition of HCN2 (unknown origin) by patch clamp assay
50000685	11	ChEBML_1690320	Inhibition of CYP2B6 (unknown origin)
50000685	18	ChEMBL_1690286 (CHEMBL4040856)	Positive allosteric modulation of GABAA receptor alpha4beta3delta (unknown origin) expressed in CHO cells assessed as potentiation of GABA-mediated increase in channel current under holding potential at -80 mV preincubated for 30 secs followed by GABA stimulation for 2 secs by manual patch clamp assay
50000685	21	ChEMBL_1690310 (CHEMBL4040880)	Inhibition of human ERG by patch clamp assay
50000685	19	ChEMBL_1690311 (CHEMBL4040881)	Inhibition of KCNQ1/minK (unknown origin) by patch clamp assay
50000685	20	ChEMBL_1690313 (CHEMBL4040883)	Inhibition of Kv4.3(unknown origin)/KChIP2.2 (unknown origin) by patch clamp assay
50037216	1	ChEMBL_36123 (CHEMBL647749)	Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR cell lysate
50037217	1	ChEMBL_162006 (CHEMBL764177)	Binding affinity towards Human Purine Nucleoside Phosphorylase was reported
50000685	14	ChEBML_1690304	Inhibition of CYP3A4 (unknown origin)
50037217	2	ChEMBL_162007 (CHEMBL764178)	Dissociation constant against Human Purine Nucleoside Phosphorylase was reported
50000685	16	ChEBML_1690315	Inhibition of Kir2.1 (unknown origin) by patch clamp assay
50037218	1	ChEMBL_48828 (CHEMBL661801)	Tested in vitro for inhibition of human Coagulation factor X
50037218	2	ChEMBL_208539 (CHEMBL813633)	In vitro for inhibition of human thrombin
50037218	3	ChEMBL_212876 (CHEMBL817826)	Tested in vitro for inhibition of human trypsin
50037218	4	ChEMBL_48954 (CHEMBL661667)	Tested in vitro for inhibition of rabbit Coagulation factor X
50037218	5	ChEMBL_27856 (CHEMBL642281)	Tested in vitro for inhibition of human activated protein C
50037218	6	ChEMBL_208071 (CHEMBL813530)	Tested in vitro for inhibition of human Tissue type plasminogen activator
50037218	7	ChEMBL_208069 (CHEMBL814419)	Tested in vitro for inhibition of human Tissue type plasminogen activator
50037218	8	ChEMBL_92395 (CHEMBL699545)	Tested in vitro for inhibition of human plasma Kallikriene
50037218	9	ChEMBL_48470 (CHEMBL663032)	Tested in vitro for inhibition of human Coagulation factor VIIa
50037218	10	ChEMBL_92396 (CHEMBL699546)	Tested in vitro for inhibition of human plasma Kallikriene
50037218	11	ChEMBL_213159 (CHEMBL816644)	Tested in vitro for inhibition of human Urokinase-type plasminogen activator
50037218	12	ChEMBL_49750 (CHEMBL662082)	Tested in vitro for inhibition of human Chymotrypsinogen
50037218	13	ChEMBL_48445 (CHEMBL662110)	Tested in vitro for inhibition of human Coagulation factor IX
50037218	14	ChEMBL_155398 (CHEMBL765939)	Tested in vitro for inhibition of human plasmin
50037218	15	ChEMBL_155258 (CHEMBL764411)	Tested in vitro for inhibition of human plasmin
50037218	16	ChEMBL_49755 (CHEMBL662087)	Tested in vitro for inhibition of human Chymotrypsinogen
50037218	17	ChEMBL_48456 (CHEMBL662861)	Tested in vitro for inhibition of human Coagulation factor VII
50037219	1	ChEMBL_145259 (CHEMBL751037)	Binding affinity against cloned human Opioid receptor kappa 1 transfected into chinese hamster ovary cells using [3H]U-69593 as radioligand
50037219	2	ChEMBL_148230 (CHEMBL753390)	Binding affinity against cloned human Opioid receptor mu 1 transfected into chinese hamster ovary cells using [3H]DAMGO as radioligand
50000686	1	ChEBML_1690400	Inhibition of PDE2A (unknown origin)
50000686	2	ChEBML_1690357	Inhibition of full length recombinant human GST-tagged PDE1A expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	3	ChEBML_1690358	Inhibition of recombinant human N-terminal GST-tagged PDE3A (669 to 1141 residues) expressed in baculovirus infected Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	4	ChEBML_1690361	Inhibition of recombinant human full length N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	13	ChEMBL_1690362 (CHEMBL4040932)	Inhibition of recombinant human PDE6A/PDE6B expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	6	ChEBML_1690364	Inhibition of recombinant human full length N-terminal GST-tagged PDE8A1 expressed in baculovirus infected Sf9 cell expression system using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	7	ChEBML_1690365	Inhibition of recombinant human full length N-terminal GST-tagged PDE9A2 expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	8	ChEBML_1690366	Inhibition of recombinant human PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	9	ChEMBL_1690400 (CHEMBL4040970)	Inhibition of PDE2A (unknown origin)
50037220	1	ChEMBL_1315 (CHEMBL616692)	Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat hippocampus mambranes
50037220	2	ChEMBL_2577 (CHEMBL617124)	Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat prefrontal cerebral cortex mambranes
50037220	3	ChEMBL_201814 (CHEMBL805322)	Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats
50037220	4	ChEMBL_820 (CHEMBL615820)	Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranes
50037220	5	ChEMBL_61832 (CHEMBL673202)	Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-35428 in male wistar rats
50037220	6	ChEMBL_144984 (CHEMBL754326)	Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats
50037220	7	ChEMBL_201509 (CHEMBL805636)	Binding affinity against serotonin transporter (SERT) by displacement of [3H]paroxetine in male wistar rats
50037220	8	ChEMBL_2614 (CHEMBL617482)	Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin from rat prefrontal cerebral cortex mambranes
50037220	9	ChEMBL_144974 (CHEMBL753706)	Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats
50037220	10	ChEMBL_62336 (CHEMBL674429)	Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-35428 in male wistar rats
50037220	11	ChEMBL_201508 (CHEMBL805635)	Binding affinity against serotonin transporter (SERT) by displacement of [3H]paroxetine in male wistar rat
50037221	1	ChEMBL_200853 (CHEMBL882393)	Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand
50037221	2	ChEMBL_200692 (CHEMBL807102)	Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand
50037221	3	ChEMBL_200834 (CHEMBL807045)	Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand
50037221	4	ChEMBL_200535 (CHEMBL805039)	Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand
50037221	5	ChEMBL_200672 (CHEMBL806163)	Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu,DTrp,Tyr]SRIF-28 as radioligand
50037222	1	ChEMBL_200835 (CHEMBL873241)	Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.
50037222	3	ChEMBL_200693 (CHEMBL807103)	Binding affinity at human Somatostatin receptor type 3 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.
50037222	4	ChEMBL_200536 (CHEMBL805040)	Binding affinity at human Somatostatin receptor type 1 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.
50037222	5	ChEMBL_200854 (CHEMBL807063)	Binding affinity at human Somatostatin receptor type 5 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.
50037222	2	ChEMBL_200673 (CHEMBL806164)	Binding affinity at human Somatostatin receptor type 2 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.
50000686	10	ChEBML_1690359	Inhibition of recombinant human N-terminal GST-tagged PDE4D2 (2 to 507 residues) expressed in baculovirus infected Sf9 cell expression system using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	11	ChEBML_1690363	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged PDE7B (109 to end residues) expressed in baculovirus infected Sf9 cell expression system using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000686	12	ChEBML_1690367	Inhibition of recombinant human full length N-terminal GST-tagged PDE11A4 expressed in baculovirus infected Sf9 cell expression system using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation proximity assay
50000687	1	ChEBML_1690438	Inhibition of calpain-1 in rat hippocampal slices assessed as prevention of NMDA-induced spectrin cleavage preincubated for 30 mins followed by NMDA addition measured after 5 hrs by Western blot analysis
50000687	2	ChEBML_1690433	Inhibition of human erythrocytes calpain-1 using Suc-Leu-Tyr-AMC as substrate by kinetic fluorescence assay
50037223	1	ChEMBL_124178 (CHEMBL732094)	In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha
50000687	3	ChEBML_1690493	Inhibition of human cathepsin S expressed in Escherichia coli using Z-Val-Val-Arg-AMC as substrate by kinetic fluorescence assay
50000687	4	ChEBML_1690494	Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate by kinetic fluorescence assay
50000687	5	ChEBML_1690495	Inhibition of human procathepsin K expressed in Escherichia coli using Z-Gly-Pro-Arg-AMC as substrate by kinetic fluorescence assay
50000688	1	ChEBML_1690520	Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting
50000688	2	ChEBML_1690521	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting
50037224	1	ChEMBL_65147 (CHEMBL679288)	Inhibitory activity against endothelial nitric oxide synthase (eNOS)
50037224	2	ChEMBL_143519 (CHEMBL755132)	Inhibitory activity against neuronal nitric oxide synthase
50037224	3	ChEMBL_89334 (CHEMBL702709)	Inhibitory activity against Inducible nitric oxide synthase
50037225	1	ChEMBL_89213 (CHEMBL699705)	Inhibition constant (Ki) for human intestinal peptide carrier
50000688	3	ChEBML_1690522	Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting
50037227	1	ChEMBL_81577 (CHEMBL689337)	Inhibition of bifunctional enzyme HPr kinase/phosphatase from Bacillus subtilis at pH 7.0 and hill coefficient of 1.4
50037227	2	ChEMBL_81578 (CHEMBL689338)	Inhibition of bifunctional enzyme HPr kinase/phosphatase from Bacillus subtilis at pH 8.0 and hill coefficient of 2.9
50037228	1	ChEMBL_3374 (CHEMBL620611)	Tested for selectivity for 5-hydroxytryptamine 4 receptor
50037228	2	ChEMBL_3442 (CHEMBL618127)	Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity
50037228	3	ChEMBL_3310 (CHEMBL619011)	Tested for ability to stimulate production of cAMP mediated by 5-hydroxytryptamine 4 receptor in mouse Coliculi neurons
50037228	4	ChEMBL_3473 (CHEMBL618889)	Tested for 5-hydroxytryptamine 3 receptor agonist activity
50037228	5	ChEMBL_3329 (CHEMBL619029)	Efficient 5-hydroxytryptamine 4 agonist in the rat tunica muscularis mucosae
50037228	6	ChEMBL_3373 (CHEMBL620610)	Tested for agonist activity against 5-hydroxytryptamine 4 receptor
50037228	7	ChEMBL_3279 (CHEMBL619080)	Tested for affinity against 5-hydroxytryptamine 4 receptor in the myenteric plexus of the guinea pig ileum.
50037228	8	ChEMBL_3446 (CHEMBL618131)	Tested for 5-hydroxytryptamine 3 receptor antagonist activity
50037228	9	ChEMBL_3372 (CHEMBL620609)	Tested for 5-hydroxytryptamine 4 receptor antagonist activity
50037228	10	ChEMBL_3368 (CHEMBL620605)	Compound was tested for 5-hydroxytryptamine 4 binding affinity
50037228	11	ChEMBL_3468 (CHEMBL618151)	Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity
50037228	12	ChEMBL_3348 (CHEMBL619048)	Tested for potency against 5-hydroxytryptamine 4 receptor agonist in rat brain
50037228	13	ChEMBL_3443 (CHEMBL618128)	Compound was tested for selectivity against 5-hydroxytryptamine 3 receptor binding affinity
50037229	1	ChEMBL_32260 (CHEMBL645594)	Inhibitory activity against aldose reductase enzyme
50037229	2	ChEMBL_32095 (CHEMBL644298)	Inhibitory activity against aldose reductase enzyme
50037230	1	ChEMBL_209475 (CHEMBL809255)	Compound was evaluated as inhibitor of human thymidylate synthase
50037230	2	ChEMBL_54382 (CHEMBL666732)	Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductase
50037230	3	ChEMBL_54886 (CHEMBL666940)	Compound was evaluated as inhibitor of Lactobacillus casei Dihydrofolate reductase
50037230	4	ChEMBL_208961 (CHEMBL873889)	Compound was evaluated as inhibitor of Lactobacillus casei thymidylate synthase
50037230	5	ChEMBL_54092 (CHEMBL669988)	Compound was evaluated as inhibitor of human Dihydrofolate reductase
50037230	6	ChEMBL_208755 (CHEMBL812309)	Compound was evaluated as inhibitor of Escherichia coli thymidylate synthase
50037231	1	ChEMBL_146914 (CHEMBL757502)	Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain
50037231	2	ChEMBL_148853 (CHEMBL756649)	Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranes
50037232	3	ChEMBL_148231 (CHEMBL753391)	Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells
50000688	4	ChEBML_1690523	Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50000688	9	ChEMBL_1690523 (CHEMBL4041093)	Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting
50037233	1	ChEMBL_3167 (CHEMBL617812)	Concentration required to inhibit the binding of radioligand [3H]GR-65630 to serotonin 5-hydroxytryptamine-3 receptor (5-HT 3 receptor)in rat brain cortical membrane
50037233	2	ChEMBL_62085 (CHEMBL672457)	Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand
50037233	3	ChEMBL_61424 (CHEMBL675892)	Inhibition of the binding of radioligand [3H]spiperone to dopamine receptor D2 in rat brain synaptic membrane
50037233	4	ChEMBL_61421 (CHEMBL675889)	Concentration of compound required to inhibit the binding of radioligand [3H]spiperone to Dopamine receptor D2 in rat brain synaptic membrane
50037233	5	ChEMBL_3234 (CHEMBL618920)	Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor
50037233	6	ChEMBL_3275 (CHEMBL619076)	Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor
50037233	7	ChEMBL_3166 (CHEMBL617811)	Concentration of compound required to inhibit the binding of radioligand [3H]GR-65630 to 5-hydroxytryptamine 3 receptor in rat brain cortical membrane
50037233	8	ChEMBL_3264 (CHEMBL617873)	Concentration of compound required to inhibit the binding of radioligand [3H]GR-113808 to 5-hydroxytryptamine 4 receptor in guinea-pig striatum
50037233	9	ChEMBL_62618 (CHEMBL678241)	Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum.
50037233	10	ChEMBL_62617 (CHEMBL678240)	Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum
50037233	11	ChEMBL_3263 (CHEMBL617872)	Concentration of compound required to inhibit the binding of radioligand [3H]GR-113808 to 5-hydroxytryptamine 4 receptor in guinea pig striatum
50037233	12	ChEMBL_3265 (CHEMBL617874)	Concentration of compound required to inhibit the binding of radioligand [3H]GR-113808 to serotonin 5-hydroxytryptamine 4 receptor in guinea-pig striatum
50037233	13	ChEMBL_61422 (CHEMBL675890)	Concentration of compound required to inhibit the binding of radioligand [3H]spiperone to Dopamine receptor D2 in rat brain synaptic membrane.
50037233	14	ChEMBL_62088 (CHEMBL672460)	Affinity of compound towards d Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand
50037233	15	ChEMBL_3168 (CHEMBL617813)	Concentration of compound required to inhibit the binding of radioligand [3H]GR-65630 to serotonin 5-hydroxytryptamine 3 receptor in rat cortical membrane
50037233	16	ChEMBL_61423 (CHEMBL675891)	Concentration of compound required to inhibit the binding of radioligand [3H]-spiperone to Dopamine receptor D2 in rat striatum
50037233	17	ChEMBL_62086 (CHEMBL672458)	Affinity of compound towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand
50037234	1	ChEMBL_144063 (CHEMBL752093)	Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic melogenous leukemia cell line
50037235	1	ChEMBL_50478 (CHEMBL658180)	Inhibition of Cyclin-dependent kinase 1-cyclin B from M phase starfish (Marthasterias glacialis) oocytes
50037236	1	ChEMBL_143359 (CHEMBL751653)	Inhibitory activity against human neuronal nitric oxide synthase
50037236	2	ChEMBL_65297 (CHEMBL873599)	Inhibitory activity against human endothelial nitric oxide synthase
50037236	3	ChEMBL_89194 (CHEMBL701146)	Inhibitory activity of compound against human inducible nitric oxide synthase
50037237	1	ChEMBL_207987 (CHEMBL816070)	In vitro inhibitory concentration of compound against human thrombin
50037238	1	ChEMBL_72519 (CHEMBL685784)	Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand
50037238	2	ChEMBL_72506 (CHEMBL685171)	Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand
50037239	1	ChEMBL_201516 (CHEMBL807133)	Binding affinity towards serotonin transporter in rat striatum using [3H]citalopram as radioligand
50037239	2	ChEMBL_61844 (CHEMBL879861)	Binding affinity towards dopamine transporter in rat striatum using [3H]WIN-35 428 as radioligand
50037239	3	ChEMBL_62145 (CHEMBL675901)	Inhibition of uptake from dopamine transporter in rat striatum using [3H]DA as radioligand
50037239	4	ChEMBL_144975 (CHEMBL753707)	Binding affinity towards norepinephrine transporter in rat striatum using [3H]nisoxetine as radioligand
50037240	1	ChEMBL_27593 (CHEMBL644313)	Displacement of [3H]- DPCPX binding at human Adenosine A1 receptor expressed in CHO cells
50037240	2	ChEMBL_31493 (CHEMBL649802)	Displacement of [3H]- SCH-58261 binding at human Adenosine A2A receptor expressed in CHO cells
50037240	3	ChEMBL_30421 (CHEMBL645975)	Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50037240	4	ChEMBL_30422 (CHEMBL645976)	Displacement of [3H]- DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50037240	5	ChEMBL_32011 (CHEMBL646608)	Displacement of [3H]- MRE 308F20 binding from human Adenosine A3 receptor expressed in CHO cells
50037240	6	ChEMBL_31206 (CHEMBL640303)	Antagonist activity as inhibition of cAMP generation after agonist-modulation of human Adenosine A2A receptor with 100 nM NECA
50037240	7	ChEMBL_31494 (CHEMBL649803)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells
50037240	8	ChEMBL_31411 (CHEMBL644554)	Antagonist activity as inhibition of cAMP generation after agonist-modulation of Adenosine A3 receptor with 100 nM CI-IB-MECA
50037240	9	ChEMBL_29469 (CHEMBL642198)	Displacement of [3H]CHA from rat cortical membrane Adenosine A1 receptor
50037240	10	ChEMBL_32010 (CHEMBL646607)	Displacement of [3H]-AB MECA from human Adenosine A3 receptor expressed in HEK293 cells
50037240	11	ChEMBL_30740 (CHEMBL649771)	Displacement of [3H]-CGS- 21680 from rat striatal membrane adenosine A2B receptor
50037240	12	ChEMBL_30016 (CHEMBL641307)	Displacement of [3H]-CGS- 21680 from rat striatal membrane Adenosine A2A receptor
50037240	13	ChEMBL_31492 (CHEMBL649801)	Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells
50037240	14	ChEMBL_32012 (CHEMBL646609)	Displacement of [3H]- MRE 308F20 from human Adenosine A3 receptor expressed in CHO cells
50000688	5	ChEMBL_1690542 (CHEMBL4041112)	Agonist activity at human recombinant D2S receptor expressed in HEK-293 cells by cellular dielectric spectroscopy
50000688	6	ChEBML_1690518	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting
50037242	1	ChEMBL_67167 (CHEMBL681151)	In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor alpha
50037242	2	ChEMBL_67329 (CHEMBL678663)	In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor beta
50037243	1	ChEMBL_201653 (CHEMBL873136)	Inhibition of [3H]citalopram binding to Serotonin transporter (5-HTT) in rat cortical tissue.
50037243	2	ChEMBL_62012 (CHEMBL879862)	Inhibition of [3H]DA binding to DAT in rat striatal synaptosomes.
50037243	3	ChEMBL_62016 (CHEMBL671637)	Inhibition of [3H]WIN-35428 binding to the cocaine binding site on the dopamine transporter (DAT) in synaptosomal membrane preparations from rat striatal tissue.
50037243	4	ChEMBL_62639 (CHEMBL676684)	Inhibition of [3H]WIN-35428 binding to the cocaine binding site on the dopamine transporter (DAT) in synaptosomal membrane preparations from rat striatal tissue
50037244	2	ChEMBL_49607 (CHEMBL661258)	Inhibitory activity against Chymotrypsinogen from Thermus flavus
50037244	3	ChEMBL_161622 (CHEMBL769162)	Inhibition of Protein kinase ROCK2 (ROCKII)
50037244	4	ChEMBL_103875 (CHEMBL712992)	Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus
50037244	6	ChEMBL_202415 (CHEMBL805570)	Inhibition of Smooth muscle myosin light chain kinase (mMLCK)
50037244	9	ChEMBL_123852 (CHEMBL731427)	Inhibition of Mitogen activated protein kinase kinase 1 (MKK1)
50037244	10	ChEMBL_50655 (CHEMBL660705)	Inhibition of Cyclin-dependent kinase 2 (CDK2)
50037244	11	ChEMBL_159576 (CHEMBL764775)	Inhibitory activity against Prostaglandin G/H synthase 1 (COX-1)
50037244	15	ChEMBL_124330 (CHEMBL732638)	Inhibition of p38-regulated activated kinase (PRAK)
50037244	14	ChEMBL_200373 (CHEMBL806344)	Inhibition of Src tyrosine kinase
50037244	18	ChEMBL_160781 (CHEMBL766321)	Inhibition of Protein kinase C delta (PKCdelta)
50000688	7	ChEBML_1690541	Inhibition of SERT expressed in rat brain synaptosomes assessed as decrease in incorporation of [3H]serotonin measured after 15 mins by scintillation counting method
50037244	21	ChEMBL_161438 (CHEMBL772572)	Inhibition of Protein kinase C related kinase 1 (PRK1)
50037246	2	ChEMBL_27439 (CHEMBL643299)	Inhibition of cAMP formation in CHO cells expressing adenosine A1 receptor
50000688	8	ChEBML_1690519	Displacement of [3H]-pyrilamine from human recombinant M1 receptor expressed in CHO cells after 60 mins by scintillation counting
50037246	4	ChEMBL_28034 (CHEMBL643030)	In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement.
50037246	5	ChEMBL_29901 (CHEMBL641972)	Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor
50037246	3	ChEMBL_31810 (CHEMBL642231)	Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand
50037246	1	ChEMBL_29900 (CHEMBL641971)	Binding affinity for human Adenosine A3 receptor using [125 I]-IABMECA
50000689	1	ChEBML_1690561	Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fluorescence assay
50000689	2	ChEBML_1690554	Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50037247	1	ChEMBL_46642 (CHEMBL658898)	Binding affinity against G protein coupled Cannabinoid receptor 1 using [3H]WIN-55212-2 in rat cerebellum membranes
50037247	2	ChEMBL_46984 (CHEMBL658954)	Binding affinity against G protein coupled human Cannabinoid receptor 2 using [3H]CP-55940 in HEK293 EBNA transfected cells
50037247	3	ChEMBL_215657 (CHEMBL821204)	Binding affinity against vanilloid receptor 1 (VR1) using [3H]RTX in rat spinal cord membranes
50037247	4	ChEMBL_68637 (CHEMBL680042)	Maximum Inhibition of fatty acid amide hydrolase (FAAH) was determined using rat brain homogenates at concentrations ranging from 0.5 to 100 uM
50037247	5	ChEMBL_68636 (CHEMBL680041)	Inhibition of fatty acid amide hydrolase (FAAH) was determined using rat brain homogenates as the enzyme source and [3H]anandamide as substrate
50037248	1	ChEMBL_83651 (CHEMBL693111)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells
50037248	2	ChEMBL_83654 (CHEMBL694883)	In vivo binding affinity was determined by measuring the displacement curves of [125I]iodoproxyfan in human Histamine H3 receptor antagonist with relatively high in rat
50037248	3	ChEMBL_87236 (CHEMBL696456)	Compound was tested against histamine N-methyl-transferase in rat brain [EC 2.1.1.8](relative weak affinity on rat enzyme)
50037249	5	ChEMBL_148088 (CHEMBL754376)	Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.
50000689	3	ChEBML_1690549	Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assay
50000690	2	ChEMBL_1690564 (CHEMBL4041134)	Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 phosphorylation preincubated with compound for 2.5 hrs followed co-administration with sorbitol measured after 1 hr by AlphaLISA assay
50000690	3	ChEBML_1690564	Allosteric inhibition of WNK1 (unknown origin) expressed in HEK293 cells co-expressing flag-OSR1 assessed as reduction in sorbitol-stimulated OSR1 phosphorylation preincubated with compound for 2.5 hrs followed co-administration with sorbitol measured after 1 hr by AlphaLISA assay
50000690	4	ChEMBL_1690563 (CHEMBL4041133)	Allosteric inhibition of recombinant human N-terminal GST-tagged WNK1 catalytic domain (1 to 491 residues) expressed in baculovirus expression system using fluorescein-labeled OSR1 peptide as substrate after 3 hrs by HTRF assay
50000690	1	ChEMBL_1690571 (CHEMBL4041141)	Non-competitive inhibition of recombinant human N-terminal GST-tagged WNK1 (1 to 491 residues) expressed in baculovirus expression system using fluorescein-labeled OSR1 peptide as substrate measured every 3 mins from 90 to 250 mins in presence of varying concentration of ATP by Michaelis-Menten plot-based analysis
50000691	1	ChEBML_1690597	Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay
50037249	6	ChEMBL_147243 (CHEMBL755511)	Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.
50000691	2	ChEBML_1690596	Inhibition of recombinant human eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay
50000691	3	ChEBML_1690595	Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay
50037250	1	ChEMBL_65146 (CHEMBL678114)	Inhibitory activity against endothelial nitric oxide synthase (eNOS)
50037250	2	ChEMBL_89366 (CHEMBL699600)	Inhibitory activity against Inducible nitric oxide synthase (iNOS)
50037250	3	ChEMBL_143518 (CHEMBL755131)	Inhibitory activity against Neuronal Nitric Oxide Synthase (nNOS)
50037251	1	ChEMBL_148002 (CHEMBL754160)	Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC
50037251	2	ChEMBL_52069 (CHEMBL664809)	Inhibition of human cytochrome P450 3A4
50037251	3	ChEMBL_148000 (CHEMBL755828)	Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
50037251	4	ChEMBL_148001 (CHEMBL754159)	Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
50000691	4	ChEBML_1690626	Displacement of [3H]GR113808 from human 5-HT4 receptor after 90 mins by scintillation counting method
50037251	5	ChEMBL_147999 (CHEMBL755827)	Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay
50000691	5	ChEBML_1690625	Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEKT cells after 90 mins by scintillation counting method
50000691	6	ChEBML_1690623	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	7	ChEBML_1690622	Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEKT cells after 90 mins by scintillation counting method
50000691	8	ChEBML_1690621	Binding affinity to human 5-HT1F receptor
50000691	9	ChEBML_1690619	Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEKT cells after 90 mins by scintillation counting method
50000691	10	ChEBML_1690618	Displacement of [3H]5-CT from human 5-HT1B receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	11	ChEBML_1690614	Displacement of [3H]Histamine from human H4 receptor after 90 mins by scintillation counting method
50000691	12	ChEBML_1690613	Displacement of [3H]alpha-methylhistamine from human H3 receptor expressed in HEK Flp-In cells after 90 mins by scintillation counting method
50000691	18	ChEMBL_1690601 (CHEMBL4041171)	Displacement of [3H]Way100635 from human 5-HT1A receptor expressed in CHO cells after 90 mins by scintillation counting method
50000691	14	ChEBML_1690610	Displacement of [3H]N/OFQ from human nociceptin opioid receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	15	ChEBML_1690609	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	16	ChEBML_1690603	Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	17	ChEBML_1690602	Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	13	ChEMBL_1690612 (CHEMBL4041182)	Displacement of [3H]Tiotidine from human H2 receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	19	ChEBML_1690629	Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	20	ChEBML_1690628	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	21	ChEBML_1690593	Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay
50037252	1	ChEMBL_145267 (CHEMBL872675)	In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593
50037252	2	ChEMBL_149016 (CHEMBL758580)	In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO
50037252	3	ChEMBL_147063 (CHEMBL754883)	In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin II
50037253	1	ChEMBL_38678 (CHEMBL650032)	Dissociation constant towards X-linked inhibitor of apoptosis (XIAP) BIR3 protein was determined
50037253	2	ChEMBL_38680 (CHEMBL651578)	Dissociation constant for XIAP BIR3 protein
50037253	3	ChEMBL_38679 (CHEMBL650033)	Inhibitory concentration of compound against XIAP BIR3 protein
50037253	4	ChEMBL_38677 (CHEMBL650031)	Compound was tested for inhibitory activity towards XIAP BIR3 protein
50037253	5	ChEMBL_38681 (CHEMBL651579)	Dissociation constant for XIAP BIR3 protein in FP-based binding assay
50037253	6	ChEMBL_38682 (CHEMBL856031)	Dissociation constant for XIAP BIR3 protein using different binding assay
50037254	1	ChEMBL_50507 (CHEMBL661124)	Evaluated for inhibition of human cyclin dependent kinase 2 (CDK2)
50037254	2	ChEMBL_221311 (CHEMBL841201)	Evaluated for inhibition of human p56 Lck tyrosine kinase
50037254	3	ChEMBL_50506 (CHEMBL661123)	Evaluated for inhibition of human cyclin dependent kinase 2
50000691	22	ChEBML_1690594	Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay
50000691	23	ChEBML_1690617	Displacement of [3H]Way100635 from human 5-HT1a receptor expressed in CHO cells after 90 mins by scintillation counting method
50000691	24	ChEBML_1690612	Displacement of [3H]Tiotidine from human H2 receptor expressed in HEK cells after 90 mins by scintillation counting method
50000691	25	ChEBML_1690592	Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK cells after 90 mins by scintillation counting method
50037255	1	ChEMBL_53378 (CHEMBL665782)	In vitro inhibition of porcine Dipeptidylpeptidase IV.
50037256	1	ChEMBL_40293 (CHEMBL653425)	Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.
50037256	2	ChEMBL_40273 (CHEMBL656508)	Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.
50037257	1	ChEMBL_45042 (CHEMBL658040)	In vitro inhibitory activity against human carbonic anhydrase II (hCAII)
50037257	2	ChEMBL_47495 (CHEMBL662722)	In vitro inhibitory activity against human carbonic anhydrase I (hCAI)
50037257	3	ChEMBL_45263 (CHEMBL658215)	In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)
50037258	1	ChEMBL_154918 (CHEMBL764692)	Binding affinity towards plasmepsin-2 in Plasmodium falciparum.
50037258	2	ChEMBL_45170 (CHEMBL662655)	Binding affinity towards human cathepsin D.
50037258	3	ChEMBL_27487 (CHEMBL633815)	Binding affinity at adenosine A1 receptor.
50037259	1	ChEMBL_104892 (CHEMBL715750)	In vitro inhibitory activity against recombinant matrix metalloprotease-3 was determined
50037259	2	ChEMBL_105208 (CHEMBL713847)	In vitro inhibitory activity against recombinant matrix metalloprotease-8 was determined
50037259	3	ChEMBL_106293 (CHEMBL714549)	In vitro inhibitory activity against recombinant matrix metalloprotease-1 was determined
50037259	4	ChEMBL_104550 (CHEMBL718936)	In vitro inhibitory activity against recombinant matrix metalloprotease-2 was determined
50037259	5	ChEMBL_105518 (CHEMBL715227)	In vitro inhibitory activity against recombinant matrix metalloprotease-9 was determined
50037260	1	ChEMBL_83641 (CHEMBL695771)	Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay
50037261	1	ChEMBL_41427 (CHEMBL654407)	Inhibitory activity towards human butyrylcholinesterase
50000691	26	ChEBML_1690627	Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells after 90 mins by scintillation counting method
50000691	27	ChEBML_1690624	Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells after 90 mins by scintillation counting method
50000691	28	ChEBML_1690620	Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by scintillation counting method
50000692	1	ChEBML_1690630	Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry
50000692	2	ChEBML_1690663	Inhibition of MET (unknown origin)
50000692	3	ChEMBL_1690663 (CHEMBL4041233)	Inhibition of MET (unknown origin)
50000693	1	ChEBML_1690669	Allosteric modulation of CB1 receptor in CD-1 mouse cerebellar membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding after 60 mins
50000693	2	ChEBML_1690670	Allosteric modulation of CB1 receptor in rat cerebellar membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding
50000693	3	ChEMBL_1690674 (CHEMBL4041244)	PAM antagonist activity at CB1 receptor in CD-1 mouse cerebellar membranes assessed as increase in [3H]CP55,940 binding after 90 mins relative to control
50000693	4	ChEMBL_1690664 (CHEMBL4041234)	Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobilization preincubated for 15 mins followed by CP55,490 addition measured at 1 sec interval for 90 secs by calcium-5 dye based FLIPR assay
50000693	5	ChEBML_1690666	Antagonist activity at human CB2 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobilization preincubated for 15 mins followed by CP55,490 addition measured at 1 sec interval for 90 secs by calcium-5 dye based FLIPR assay
50037261	3	ChEMBL_27820 (CHEMBL636710)	Inhibitory activity towards calf serum acetylcholinesterase
50000693	7	ChEMBL_1690671 (CHEMBL4041241)	Allosteric modulation of CB1 receptor in HEK293 cell membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding
50000694	1	ChEBML_1690744	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins
50037262	1	ChEMBL_40267 (CHEMBL656503)	Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2
50037262	2	ChEMBL_40291 (CHEMBL653423)	Inhibition of [3H]BK (1.0 nM) binding to the human bradykinin receptor B2, expressed in CHO cells
50037262	3	ChEMBL_40266 (CHEMBL656502)	Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the B2 receptor in guinea pig ileum membrane;
50037262	4	ChEMBL_40269 (CHEMBL856079)	Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2 in guinea pig ileum membrane
50037263	1	ChEMBL_46631 (CHEMBL658887)	Ability to displace [3H]SR-141,716A radioligand from cannabinoid receptor 1 in rat cerebellar membrane
50037263	2	ChEMBL_46632 (CHEMBL658888)	Ability to displace [3H]WIN-55212-2 radioligand from cannabinoid receptor 1 in rat cerebellar membrane
50037263	3	ChEMBL_46643 (CHEMBL872427)	Binding affinity for cannabinoid receptor 1 in rat cerebellar membrane
50000694	2	ChEBML_1690745	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cell membranes after 30 mins
50000694	3	ChEBML_1690746	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes after 30 mins
50000694	4	ChEBML_1690747	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cell membranes after 180 mins
50037265	1	ChEMBL_70998 (CHEMBL680574)	Inhibitory binding constant against glycogen phosphorylase B
50000695	15	ChEMBL_1690776 (CHEMBL4041346)	Inhibition of recombinant human N-terminal GST-tagged PDE3A (669 to 1141 residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	1	ChEBML_1690806	Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay
50000695	2	ChEMBL_1690804 (CHEMBL4041374)	Inhibition of PDE2A (unknown origin) using [3H]cGMP as substrate after 30 mins by scintillation proximity assay
50000695	3	ChEMBL_1690806 (CHEMBL4041376)	Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay
50000695	4	ChEBML_1690773	Inhibition of recombinant human full-length N-terminal GST-tagged PDE1A expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037266	1	ChEMBL_217006 (CHEMBL821541)	Concentration of compound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50%
50037267	1	ChEMBL_50338 (CHEMBL660807)	Inhibition of Cyclin-dependent kinase 1-cyclin B of M-phase Marthasterias glacialis oocytes
50000695	5	ChEBML_1690776	Inhibition of recombinant human N-terminal GST-tagged PDE3A (669 to 1141 residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	6	ChEBML_1690778	Inhibition of recombinant human full length N-terminal GST-tagged PDE5A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	16	ChEMBL_1690783 (CHEMBL4041353)	Inhibition of recombinant human full length N-terminal GST-tagged PDE9A2 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	8	ChEBML_1690781	Inhibition of human N-terminal GST/C-terminal His-tagged PDE7B (109 to end residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	9	ChEBML_1690783	Inhibition of recombinant human full length N-terminal GST-tagged PDE9A2 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	10	ChEBML_1690779	Inhibition of recombinant human full length PDE10A2 transfected in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	17	ChEMBL_1690777 (CHEMBL4041347)	Inhibition of recombinant human N-terminal GST-tagged PDE4D2 (2 to 507 residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037268	1	ChEMBL_201830 (CHEMBL805337)	Binding affinity at serotonin transporter in rat brain by [3H]-citalopram displacement.
50037268	2	ChEMBL_138943 (CHEMBL745923)	Binding affinity at muscarinic M1 receptor in rat brain by [3H]pirenzepine displacement.
50037268	3	ChEMBL_143110 (CHEMBL749359)	Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat brain
50037268	4	ChEMBL_62474 (CHEMBL677366)	Binding affinity at dopamine transporter in rat brain by [3H]WIN-35428 displacement.
50037269	1	ChEMBL_4337 (CHEMBL618442)	Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli
50037269	2	ChEMBL_4339 (CHEMBL619158)	Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver
50037270	1	ChEMBL_162588 (CHEMBL768529)	Binding affinity for Protein-tyrosine phosphatase 1B
50037270	2	ChEMBL_28924 (CHEMBL637744)	Dissociation constant towards Acetylcholinesterase in mouse
50037270	3	ChEMBL_216836 (CHEMBL820420)	Affinity for c-Jun N-terminal kinase 3
50037270	4	ChEMBL_210162 (CHEMBL813845)	Tested for binding affinity towards thymidylate synthase
50037270	5	ChEMBL_29228 (CHEMBL641394)	Inhibitory concentration against Acetylcholinesterase in rat brain
50037270	6	ChEMBL_29913 (CHEMBL641276)	Inhibitory concentration against Adenylosuccinate synthetase
50037270	7	ChEMBL_71662 (CHEMBL687552)	Inhibition of gelatinase B, matrix metalloprotease-9 (MMP-9)
50037270	8	ChEMBL_46677 (CHEMBL658635)	Binding affinity against Caspase-3
50037270	9	ChEMBL_96789 (CHEMBL703266)	Dissociation constant for Leukocyte function associated antigen 1 (LFA-1)
50037270	10	ChEMBL_31106 (CHEMBL640462)	Binding affinity towards adenosine deaminase
50037270	11	ChEMBL_104900 (CHEMBL713436)	Dissociation constant for Matrix Metalloprotease-3 (MMP-3)
50037270	12	ChEMBL_162587 (CHEMBL768528)	Dissociation constant for Protein-tyrosine phosphatase 1B
50037270	13	ChEMBL_70994 (CHEMBL680570)	Inhibitory concentration against glycogen phosphorylase
50037270	14	ChEMBL_144565 (CHEMBL748875)	Inhibition of influenza A viral enzyme neuraminidase
50037270	15	ChEMBL_213306 (CHEMBL814360)	Binding affinity towards Urokinase-type plasminogen activator
50000695	18	ChEMBL_1690781 (CHEMBL4041351)	Inhibition of human N-terminal GST/C-terminal His-tagged PDE7B (109 to end residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037270	17	ChEMBL_96788 (CHEMBL703098)	Inhibition of Leukocyte function associated antigen 1 (LFA-1)
50000695	19	ChEMBL_1690779 (CHEMBL4041349)	Inhibition of recombinant human full length PDE10A2 transfected in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037270	19	ChEMBL_104898 (CHEMBL715756)	Inhibition of Matrix Metalloprotease-3 (MMP-3)
50037270	20	ChEMBL_106306 (CHEMBL714561)	Inhibition of Matrix Metalloprotease-1 (MMP-1)
50037270	21	ChEMBL_216992 (CHEMBL822807)	Inhibition of c-Src tyrosine kinase
50037270	22	ChEMBL_31134 (CHEMBL644802)	Dissociation constant against adenosine kinase
50037270	23	ChEMBL_31130 (CHEMBL643558)	Inhibitory concentration against adenosine kinase
50037270	24	ChEMBL_106644 (CHEMBL717028)	Inhibition of Matrix Metalloprotease-13 (MMP-13)
50000695	12	ChEBML_1690782	Inhibition of recombinant human full length N-terminal GST-tagged PDE8A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037270	25	ChEMBL_35453 (CHEMBL643724)	Inhibitory concentration against B-Cell Lymphoma xL (Bcl-xL) Bak-peptide binding region
50037270	26	ChEMBL_210134 (CHEMBL812503)	Tested for binding affinity towards thymidylate synthase
50037270	27	ChEMBL_50658 (CHEMBL660781)	Inhibition of Cyclin-Dependent Kinase 2
50037271	1	ChEMBL_138361 (CHEMBL749048)	Inhibition of Rabbit muscle glycogen phosphorylase B.
50037271	2	ChEMBL_138360 (CHEMBL749047)	Inhibitory activity against rabbit muscle glycogen phosphorylase a in the absence of AMP
50037271	3	ChEMBL_99043 (CHEMBL712596)	In vitro inhibition of pig liver Glycogen phosphorylase A.
50037271	4	ChEMBL_99044 (CHEMBL712597)	Inhibitory activity against pig Liver glycogen phosphorylase a
50037271	5	ChEMBL_138362 (CHEMBL749049)	Inhibitory activity against rabbit Muscle glycogen phosphorylase b
50037272	1	ChEMBL_30742 (CHEMBL649773)	Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal membranes
50037272	2	ChEMBL_31707 (CHEMBL644951)	Binding affinity against human adenosine A3 receptor expressed in CHO cells by [125I]AB-MECA displacement.
50037272	3	ChEMBL_27573 (CHEMBL643495)	Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]CHA
50037272	4	ChEMBL_29111 (CHEMBL638723)	Binding affinity against adenosine A1 receptor in bovine brain membranes by [3H]CHA displacement.
50037272	6	ChEMBL_31396 (CHEMBL643654)	Effective concentration for stimulation of [35S]GTP-gamma-S, binding at human adenosine A3 receptor expressed in CHO cells
50037273	1	ChEMBL_27574 (CHEMBL643496)	Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX
50037273	2	ChEMBL_30750 (CHEMBL649781)	Binding affinity against human adenosine A2A receptor expressed in HEK293 cells using [3H]ZM-241385
50037273	3	ChEMBL_31079 (CHEMBL640610)	Agonistic activity against human adenosine A2B receptor expressed in CHO cells
50037273	4	ChEMBL_27575 (CHEMBL643497)	Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX; Range = 9.6-15 nM
50037273	5	ChEMBL_31708 (CHEMBL644952)	Binding affinity against human adenosine A3 receptor expressed on HEK293 cells using [125I]I-AB-MECA
50037274	1	ChEMBL_61169 (CHEMBL672451)	In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor D4.4 using FLIPR assay
50037274	2	ChEMBL_944 (CHEMBL616123)	In vitro binding affinity tested on human 5-hydroxytryptamine 1A receptor
50037274	3	ChEMBL_60975 (CHEMBL671593)	In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D4 using FLIPR assay
50037274	4	ChEMBL_61168 (CHEMBL672450)	In vitro effective concentration tested on HEK293 cells co-transfected with human D4.4 receptor using FLIPR assay
50037274	5	ChEMBL_59901 (CHEMBL883275)	In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D2 using FLIPR assay
50037274	6	ChEMBL_60850 (CHEMBL675992)	In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D4 using FLIPR assay
50037274	7	ChEMBL_145251 (CHEMBL755701)	Binding affinity towards human Opioid receptor kappa 1
50037274	8	ChEMBL_58369 (CHEMBL672806)	In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D2 using FLIPR assay
50037274	9	ChEMBL_58370 (CHEMBL672807)	In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D2 using FLIPR assay
50037274	10	ChEMBL_62262 (CHEMBL675664)	Binding affinity towards human Dopamine receptor D3
50037274	11	ChEMBL_61173 (CHEMBL670988)	In vitro inhibitory concentration tested on human D4.4 receptor in HEK293 cells using FLIPR assay
50037274	12	ChEMBL_60206 (CHEMBL672168)	Binding affinity towards human Dopamine receptor D2
50037274	13	ChEMBL_58372 (CHEMBL672809)	In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D2 using FLIPR assay
50037274	14	ChEMBL_60362 (CHEMBL672097)	In vitro binding affinity tested on human Dopamine receptor D2 (short) using [3H]spiperone as a radioligand
50037274	15	ChEMBL_58368 (CHEMBL672805)	In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D2 using FLIPR assay
50037274	16	ChEMBL_60360 (CHEMBL672095)	In vitro binding affinity tested on human Dopamine receptor D2 using [3H]spiperon as a radioligand
50037274	17	ChEMBL_59898 (CHEMBL884215)	In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D2 using FLIPR assay
50037274	18	ChEMBL_58375 (CHEMBL672812)	In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D2 using FLIPR assay
50037274	19	ChEMBL_61323 (CHEMBL670098)	In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay
50037274	20	ChEMBL_63081 (CHEMBL673648)	In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D4 using FLIPR assay
50037274	21	ChEMBL_61183 (CHEMBL670997)	Binding affinity towards human D4.4 receptor
50037274	22	ChEMBL_59900 (CHEMBL673025)	In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D2 using FLIPR assay
50037274	23	ChEMBL_60361 (CHEMBL672096)	In vitro binding affinity tested on human Dopamine receptor D2 (long) using [3H]spiperon as a radioligand
50000695	13	ChEBML_1690768	Inhibition of recombinant human full length N-terminal GST-tagged PDE11A4 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037274	25	ChEMBL_58373 (CHEMBL672810)	In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D2 using FLIPR assay
50037274	26	ChEMBL_911 (CHEMBL615760)	Binding affinity towards human 5-hydroxytryptamine 1A receptor
50037274	27	ChEMBL_58946 (CHEMBL671260)	Binding affinity tested against D4.2 receptor in Chinese hamster ovary cell line (CHO cells) using [3H]spiperone as a radioligand
50037276	1	ChEMBL_142955 (CHEMBL750807)	Inhibition of norepinephrine transporter (NET) determined using [3H]nisoxetine radioligand.
50037276	2	ChEMBL_143112 (CHEMBL749361)	Binding affinity towards norepinephrine transporter was determined using [3H]nisoxetine radioligand.
50037276	3	ChEMBL_201831 (CHEMBL805338)	Binding affinity towards serotonin transporter 5-HTT was determined using [3H]paroxetine radioligand.
50037276	4	ChEMBL_201652 (CHEMBL806553)	Inhibitory concentration required to inhibit serotonin transporter 5-HTT was determined by using [3H]paroxetine radioligand
50037276	5	ChEMBL_62010 (CHEMBL671632)	Inhibitory concentration required to inhibit dopamine transporter DAT was determined by using [3H]WIN-35428 radioligand
50037276	6	ChEMBL_142945 (CHEMBL750797)	Binding affinity towards norepinephrine transporter was determined by using [3H]nisoxetine radioligand
50000695	20	ChEMBL_1690778 (CHEMBL4041348)	Inhibition of recombinant human full length N-terminal GST-tagged PDE5A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	21	ChEMBL_1690782 (CHEMBL4041352)	Inhibition of recombinant human full length N-terminal GST-tagged PDE8A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	22	ChEMBL_1690773 (CHEMBL4041343)	Inhibition of recombinant human full-length N-terminal GST-tagged PDE1A expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	23	ChEMBL_1690772 (CHEMBL4041342)	Inhibition of recombinant human full-length His-tagged PDE2A3 expressed in fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037278	2	ChEMBL_65141 (CHEMBL677475)	Inhibitory activity against endothelial nitric oxide synthase (eNOS)
50037278	3	ChEMBL_143517 (CHEMBL755130)	Binding affinity towards neuronal nitric oxide synthase (nNOS)
50037278	6	ChEMBL_143512 (CHEMBL755126)	Inhibitory activity against neuronal nitric oxide synthase (nNOS)
50037278	7	ChEMBL_65143 (CHEMBL678111)	Binding affinity towards endothelial nitric oxide synthase (eNOS)
50000695	11	ChEBML_1690777	Inhibition of recombinant human N-terminal GST-tagged PDE4D2 (2 to 507 residues) expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cAMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50037278	8	ChEMBL_143520 (CHEMBL755133)	Inhibitory activity against neuronal nitric oxide synthase (nNOS)
50037278	9	ChEMBL_89365 (CHEMBL699599)	Binding affinity towards inducible nitric oxide synthase (iNOS)
50000695	14	ChEMBL_1690780 (CHEMBL4041350)	Inhibition of recombinant human PDE6A/PDE6B expressed in insect cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000695	24	ChEMBL_1690768 (CHEMBL4041338)	Inhibition of recombinant human full length N-terminal GST-tagged PDE11A4 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by scintillation counting
50000700	2	ChEMBL_1690843 (CHEMBL4041413)	Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 15 mins by HTRF assay
50000696	1	ChEBML_1690808	Inhibition of human HGPRT using PRib-PP as the substrate by spectrophotometric method
50000697	1	ChEMBL_1690818 (CHEMBL4041388)	Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 3 expressed in HEK293 cells after 2 hrs by scintillation counting method
50000697	2	ChEBML_1690822	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as increase in cAMP accumulation after 2 hrs by AlphaScreen assay
50000697	3	ChEBML_1690823	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as increase in cAMP accumulation after 2 hrs by AlphaScreen assay
50037280	1	ChEMBL_30790 (CHEMBL645067)	Binding affinity towards calf spleen adenosine deaminase was determined
50037281	1	ChEMBL_148530 (CHEMBL755191)	Binding affinity of compound for Opioid receptor mu 1 was determined using [3H]DAMGO as radioligand from rat brain tissue
50037281	2	ChEMBL_146381 (CHEMBL754738)	Binding affinity of compound for Opioid receptor kappa 1 was determined using [3H]U-69593 as radioligand from guinea pig caudate
50037281	3	ChEMBL_146497 (CHEMBL754607)	Binding affinity of compound for opioid receptor delta 1 was determined using [3H]DADLE as radioligand from rat brain tissue
50037282	1	ChEMBL_35277 (CHEMBL647776)	Binding affinity for Angiotensin II receptor type 2 using [125I]- Ang II in pig uterus myometrium
50000697	4	ChEBML_1690821	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as increase in cAMP accumulation after 2 hrs by AlphaScreen assay
50037283	1	ChEMBL_143658 (CHEMBL755899)	Inhibition concentration against Neuronal nitric oxide synthase (nNOS) at 10 uM concentration
50037283	2	ChEMBL_89494 (CHEMBL696859)	Inhibition concentration against Inducible nitric oxide synthase (iNOS) at 10 uM concentration
50037283	3	ChEMBL_65324 (CHEMBL679391)	Inhibition concentration against Endothelial nitric oxide synthase (eNOS) at 10 uM concentration
50037284	1	ChEMBL_51556 (CHEMBL661229)	Binding affinity towards cytochrome P450 2C9
50037284	2	ChEMBL_51557 (CHEMBL661230)	Inhibition of human cytochrome P450 2C9
50000697	5	ChEBML_1690820	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 2 hrs by AlphaScreen assay
50037285	1	ChEMBL_196376 (CHEMBL802548)	Inhibitory concentration against wild-type reverse transcriptase of HIV-1
50037286	1	ChEMBL_31714 (CHEMBL645374)	Compound was evaluated for inhibition of adenylate cyclase from rat brain
50037287	1	ChEMBL_71599 (CHEMBL689131)	Binding affinity evaluated by the ability to inhibit des-Gly10[125I]Tyr5,D-Leu6,NMeLeu7,Pro9-NEt]- Gonadotropin-releasing hormone binding to cloned human Gonadotropin-releasing hormone receptor expressed in HEK293 cells
50037287	2	ChEMBL_71753 (CHEMBL680275)	In vivo inhibition of rat Gonadotropin-releasing hormone receptor
50037287	3	ChEMBL_71436 (CHEMBL685308)	In vivo inhibition of rat Gonadotropin releasing hormone receptor
50037287	4	ChEMBL_71445 (CHEMBL685317)	In vivo inhibition of monkey Gonadotropin-releasing hormone receptor
50037287	5	ChEMBL_71575 (CHEMBL880078)	In vitro inhibition of [Ca2+] influx in RBL cells expressing Gonadotropin-releasing hormone receptor
50037287	6	ChEMBL_71577 (CHEMBL684237)	In vitro inhibition of [Ca2+] influx in RBL cells expressing Gonadotropin-releasing hormone receptor
50037287	7	ChEMBL_71433 (CHEMBL685305)	In vivo inhibition of monkey Gonadotropin releasing hormone receptor
50037288	1	ChEMBL_60994 (CHEMBL671610)	Binding affinity towards human Dopamine receptor D4
50037288	2	ChEMBL_65642 (CHEMBL681524)	Binding affinity against human Endothelin A receptor
50037288	3	ChEMBL_60207 (CHEMBL672169)	Binding affinity towards human Dopamine receptor D2
50037288	4	ChEMBL_84427 (CHEMBL691615)	Binding affinity towards human histamine H1 receptor
50037288	5	ChEMBL_139216 (CHEMBL745691)	Binding affinity towards muscarinic M1 receptor
50037288	6	ChEMBL_2715 (CHEMBL617275)	Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor
50037288	9	ChEMBL_62932 (CHEMBL673837)	Binding affinity towards human Dopamine receptor D3
50037288	10	ChEMBL_62930 (CHEMBL673835)	Binding affinity against Dopamine receptor D3
50037288	11	ChEMBL_60994 (CHEMBL671610)	Binding affinity towards human Dopamine receptor D4
50000697	6	ChEMBL_1690817 (CHEMBL4041387)	Displacement of [125I]-NDP-R-MSH from melanocortin receptor 1 in mouse B16F10 cells after 2 hrs by scintillation counting method
50037288	14	ChEMBL_63504 (CHEMBL676594)	Inhibitory concentration against Endothelin A receptor
50037288	15	ChEMBL_63504 (CHEMBL676594)	Inhibitory concentration against Endothelin A receptor
50037288	17	ChEMBL_60494 (CHEMBL674250)	Binding affinity towards human Dopamine receptor D1
50037288	18	ChEMBL_65643 (CHEMBL681525)	Binding affinity against human Endothelin A receptor; orally active in vivo at 30 mg/kg, po
50037288	13	ChEMBL_88893 (CHEMBL694796)	Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes
50037288	20	ChEMBL_2298 (CHEMBL617083)	Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor
50037288	21	ChEMBL_33614 (CHEMBL652821)	Binding affinity towards recombinant human alpha-1A adrenergic receptor
50037288	22	ChEMBL_63843 (CHEMBL673227)	Binding affinity against human Endothelin B receptor showed weak activity
50000697	7	ChEMBL_1690819 (CHEMBL4041389)	Displacement of [125I]-NDP-R-MSH from mouse melanocortin receptor 4 expressed in HEK293 cells after 2 hrs by scintillation counting method
50037288	24	ChEMBL_88893 (CHEMBL694796)	Inhibition of guinea pig Iks potassium channel expressed in Xenopus oocytes
50037288	25	ChEMBL_63844 (CHEMBL673228)	Binding affinity against human Endothelin B receptor; orally active in vivo at 30 mg/kg, po
50037288	26	ChEMBL_138342 (CHEMBL747772)	Binding affinity towards human muscarinic receptor
50037288	27	ChEMBL_60849 (CHEMBL675991)	Binding affinity against human Dopamine receptor D4 versus hD2, hD3 receptor
50000700	1	ChEBML_1690842	Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 25 mins by HTRF assay
50037288	28	ChEMBL_64500 (CHEMBL676646)	Inhibitory concentration against endotheline ETB receptor
50037289	1	ChEMBL_105295 (CHEMBL713611)	Inhibitory concentration against Methylthioadenosine phosphorylase
50037290	1	ChEMBL_148848 (CHEMBL753965)	Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO in rat brain membrane
50037290	2	ChEMBL_146906 (CHEMBL751119)	Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane
50037290	4	ChEMBL_147109 (CHEMBL758272)	Inhibitory concentration for inhibition of Opioid receptor mu 1 induced contractions in guinea pig ileum (GPI) smooth muscle assays
50000701	1	ChEBML_1690987	Inhibition of human erythrocyte carbonic anhydrase-1
50037290	12	ChEMBL_145897 (CHEMBL750386)	Inhibitory concentration required for 50 percent inhibition of opioid receptor delta 1 induced contractions in mouse vas deferens (MVD) smooth muscle contraction assays
50000701	2	ChEBML_1690988	Inhibition of human erythrocyte carbonic anhydrase-2
50000702	1	ChEBML_1691075	Displacement of [3H]prazosin from recombinant human alpha-1d adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000702	2	ChEBML_1691073	Displacement of [3H]prazosin from recombinant human alpha-1b adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000702	3	ChEBML_1691076	Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation counting method
50037290	14	ChEMBL_148871 (CHEMBL873071)	Binding affinity at Opioid receptor mu 1 by displacement of [3H]DAMGO at 1.4 to 3.0 nM in rat brain membrane
50037291	1	ChEMBL_31836 (CHEMBL641338)	Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells
50037291	2	ChEMBL_30307 (CHEMBL638561)	Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells
50037291	3	ChEMBL_27577 (CHEMBL643499)	Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells
50037291	4	ChEMBL_31369 (CHEMBL644661)	Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells
50037291	5	ChEMBL_30301 (CHEMBL639470)	Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptor
50037291	6	ChEMBL_30306 (CHEMBL636451)	Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors
50000702	4	ChEBML_1691074	Displacement of [3H]prazosin from recombinant human alpha-1a adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000702	5	ChEBML_1691082	Displacement of [3H]N-methylspiperone from recombinant human D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method
50000702	6	ChEBML_1691083	Displacement of [3H]N-methylspiperone from recombinant human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method
50037292	1	ChEMBL_105856 (CHEMBL717326)	Maximal agonist response of mouse melanocortin 1 receptor (MC1R)
50037292	2	ChEMBL_106669 (CHEMBL714653)	Maximum agonist response for mouse melanocortin 5 receptor (MC5R)
50037292	3	ChEMBL_69106 (CHEMBL678731)	Inhibition of 1 nM alpha melanocortin stimulating hormone (MSH) from frog skin
50037292	4	ChEMBL_106164 (CHEMBL718859)	Maximal agonist response at rat melanocortin 3 receptor (MC3R)
50037292	5	ChEMBL_106498 (CHEMBL713979)	Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor
50000702	8	ChEMBL_1691084 (CHEMBL4041733)	Displacement of [3H]N-methylspiperone from recombinant human D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method
50037293	1	ChEMBL_202570 (CHEMBL805351)	Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells
50037294	1	ChEMBL_40292 (CHEMBL653424)	In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand
50037294	2	ChEMBL_40272 (CHEMBL656507)	In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation
50037295	1	ChEMBL_157865 (CHEMBL764753)	Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay
50037295	2	ChEMBL_79980 (CHEMBL690417)	Tested for inhibition of synthetic HIV-1 protease by using fluorometric assay
50037296	2	ChEMBL_142795 (CHEMBL751368)	Binding affinity against norepinephrine transporter by using [3H]nisoxetine as a radioligand
50037296	3	ChEMBL_61351 (CHEMBL673253)	Binding affinity against dopamine transporter by using [3H]WIN-35428 as a radioligand
50037296	4	ChEMBL_201221 (CHEMBL801197)	Binding affinity against serotonin transporter by using [3H]-citalopram as a radioligand
50037296	1	ChEMBL_138952 (CHEMBL742764)	Binding affinity against Muscarinic acetylcholine receptor M1 by using [3H]pirenzepine as a radioligand
50037297	1	ChEMBL_70638 (CHEMBL678694)	Dissociation constant for Fibroblast growth factor 2
50037297	2	ChEMBL_70628 (CHEMBL678684)	Dissociation constant for Fibroblast growth factor 1
50000703	1	ChEBML_1691107	Inhibition of mPGES-1 in microsomes isolated from IL-1beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC method
50000704	1	ChEBML_1691111	Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to recombinant Hsp90alpha (unknown origin) after 1 hr by fluorescence polarization assay
50037298	1	ChEMBL_122661 (CHEMBL732791)	In vitro effective concentration towards human motilin receptor
50037298	2	ChEMBL_122662 (CHEMBL732792)	In vitro binding affinity towards human motilin receptor
50037299	2	ChEMBL_213280 (CHEMBL814336)	Compound was evaluated for inhibition of Microbial tyramine oxidase; irreversible
50037299	3	ChEMBL_213279 (CHEMBL814335)	Compound was evaluated for inhibition of Microbial tyramine oxidase; competitive
50037299	4	ChEMBL_213276 (CHEMBL814332)	Compound was evaluated for inhibition of Microbial tyramine oxidase
50037299	6	ChEMBL_213277 (CHEMBL814333)	Compound was evaluated for inhibition of Microbial tyramine oxidase; Noncompetitive
50037300	1	ChEMBL_37506 (CHEMBL648136)	Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane
50037301	1	ChEMBL_70572 (CHEMBL682705)	Inhibitory concentration against farnesyltransferase was determined
50037301	2	ChEMBL_70593 (CHEMBL681330)	Inhibition binding constant against Farnesyltransferase
50037301	4	ChEMBL_71958 (CHEMBL686123)	Inhibition binding constant Geranylgeranyl transferase type I
50037301	6	ChEMBL_154312 (CHEMBL762797)	Effective concentration required to inhibit HDJ2 farnesylation in PSN-1 cells
50037301	7	ChEMBL_71817 (CHEMBL683648)	Inhibition of Geranylgeranyl transferase type I
50037301	8	ChEMBL_71964 (CHEMBL686129)	Inhibition binding constant against Geranylgeranyl transferase type I
50037302	1	ChEMBL_147223 (CHEMBL754911)	Agonistic activity against kappa opioid receptor in Chinese hamster ovary membranes
50000705	1	ChEBML_1691138	Inhibition of human factor 10a using substrate S-2765 preincubated for 30 mins followed by substrate addition measured after 20 mins by micro plate reader method
50000705	2	ChEBML_1691139	Inhibition of human thrombin using substrate S-2238 preincubated for 30 mins followed by substrate addition measured after 20 mins by micro plate reader method
50037302	5	ChEMBL_145572 (CHEMBL749648)	Agonistic activity against Opioid receptor mu 1 in Chinese hamster ovary membranes
50037303	1	ChEMBL_63358 (CHEMBL679122)	Displacement of [125I]ET-1 from Endothelin A receptor
50037303	2	ChEMBL_63370 (CHEMBL676106)	Binding affinity towards Endothelin A receptor
50037303	3	ChEMBL_65493 (CHEMBL873602)	Inhibitory concentration towards Endothelin A receptor in human
50037303	4	ChEMBL_64214 (CHEMBL675451)	Inhibitory concentration towards endothelin B receptor in human
50037304	1	ChEMBL_80125 (CHEMBL688447)	Tested for inhibitor binding of Val82Ala mutant of HIV PR
50037304	2	ChEMBL_80126 (CHEMBL688448)	Tested for inhibitor binding of wild-type HIV PR
50037304	3	ChEMBL_80124 (CHEMBL688446)	Tested for inhibitor binding of D25N/V82A mutant of HIV PR
50037305	2	ChEMBL_122784 (CHEMBL730892)	Binding affinity was evaluated against human monoamino oxidase A
50037305	3	ChEMBL_123765 (CHEMBL732528)	Binding affinity was evaluated against human monoamino oxidase B
50037305	4	ChEMBL_122783 (CHEMBL730891)	Inhibition of human monoamine oxidase A
50037305	5	ChEMBL_123764 (CHEMBL732527)	Inhibition of human monoamine oxidase B
50000707	1	ChEBML_1691145	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric method
50037306	1	ChEMBL_106501 (CHEMBL713982)	Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH
50037306	2	ChEMBL_105855 (CHEMBL717325)	Effective concentration against mouse Melanocortin 1 receptor
50037306	3	ChEMBL_106668 (CHEMBL884505)	Effective concentration against mouse Melanocortin 5 receptor
50037306	4	ChEMBL_106496 (CHEMBL717600)	Effective concentration against mouse melanocortin MC4 receptor
50037306	5	ChEMBL_106503 (CHEMBL713984)	Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132)
50037306	6	ChEMBL_106158 (CHEMBL718854)	Effective concentration against mouse Melanocortin 3 receptor
50037306	7	ChEMBL_106502 (CHEMBL713983)	Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-NDP-MSH; ND = not determined
50037306	8	ChEMBL_106497 (CHEMBL713978)	Effective concentration against mouse melanocortin MC4 receptor; Partial agonist
50037307	1	ChEMBL_154645 (CHEMBL760163)	In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain
50037308	1	ChEMBL_30004 (CHEMBL641295)	Displacement of [3H]-MSX-2 from Adenosine A2A receptor of rat striatal membranes
50037308	2	ChEMBL_31552 (CHEMBL644503)	Inhibition of forskolin-stimulated cAMP accumulation in chinese hamster ovary cell membranes expressing human adenosine A3 receptor
50037308	3	ChEMBL_28670 (CHEMBL649068)	Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes with GTP
50037308	4	ChEMBL_30005 (CHEMBL641296)	Displacement of [3H]NECA from Adenosine A2A receptor of rat striatal membranes
50037308	5	ChEMBL_29326 (CHEMBL642990)	Displacement of [3H]CCPA from adenosine A1 receptor of rat cortical membranes
50037308	6	ChEMBL_30420 (CHEMBL645974)	Displacement of [3H]PSB-298 from human adenosine A2B receptor expressed in HEK293 cells at 10 uM
50037308	7	ChEMBL_29315 (CHEMBL642303)	Displacement of [3H]DPCPX from rat Adenosine A1 receptor of cortical membranes
50037308	8	ChEMBL_30418 (CHEMBL645972)	Binding affinity towards human adenosine A2B receptor in VA13 fibroblasts as inhibition of adenylate cyclase at 10 uM; Less than 10% inhibition
50037308	9	ChEMBL_28669 (CHEMBL649067)	Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes without GTP
50037308	10	ChEMBL_29314 (CHEMBL642302)	Displacement of [3H]CCPA from Adenosine A1 receptor of rat cortical membranes
50037308	11	ChEMBL_31858 (CHEMBL643935)	Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
50037308	12	ChEMBL_29328 (CHEMBL642992)	Displacement of [3H]R-PIA from adenosine A1 receptor of rat cortical membranes
50037308	13	ChEMBL_30419 (CHEMBL645973)	Displacement of [3H]PSB-298 from human adenosine A2B receptor expressed in HEK293 cells at 10 uM; Less than 10% inhibition
50037308	14	ChEMBL_29327 (CHEMBL642991)	Displacement of [3H]DPCPX from adenosine A1 receptor of rat cortical membranes
50037309	1	ChEMBL_84042 (CHEMBL691888)	Inhibition HCV RNA replication
50037309	2	ChEMBL_84043 (CHEMBL691889)	Inhibition HCV NS5B-mediated RNA synthesis
50000708	1	ChEMBL_1691193 (CHEMBL4041842)	Inhibition of GSK3beta (unknown origin)
50000708	2	ChEMBL_1691194 (CHEMBL4041843)	Inhibition of recombinant human GSK3beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate preincubated for 10 to 15 mins followed by [gamma33P]ATP addition after 20 mins by scintillation proximity assay
50000708	3	ChEMBL_1691196 (CHEMBL4041845)	Inhibition of full length recombinant human His-tagged GSK3beta expressed in baculovirus expression system using Ser/Thr 9 peptide substrate by Z'-LYTE assay
50037311	1	ChEMBL_60675 (CHEMBL674046)	Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.
50037311	2	ChEMBL_63078 (CHEMBL673645)	Effective concentration against human Dopamine receptor D4
50037311	3	ChEMBL_60078 (CHEMBL672347)	Binding affinity against human Dopamine receptor D2 using [3H]spiperone as radioligand
50037311	4	ChEMBL_63076 (CHEMBL673643)	D4 efficacy was measured using recombinant human Dopamine receptor D4 expressed in HEK293 cells
50037312	1	ChEMBL_214721 (CHEMBL817921)	Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors
50037312	2	ChEMBL_149045 (CHEMBL762238)	Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors
50037312	3	ChEMBL_149057 (CHEMBL873306)	Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors
50037312	4	ChEMBL_214414 (CHEMBL820278)	Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors
50037312	5	ChEMBL_214687 (CHEMBL817650)	Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors
50000708	4	ChEMBL_1691197 (CHEMBL4041846)	Inhibition of GSK3beta (unknown origin) expressed in sf9 cells using GS-1 as substrate after 30 mins in presence of [gamma32P]ATP
50000708	10	ChEMBL_1691192 (CHEMBL4041841)	Inhibition of GSK3alpha/beta (unknown origin) using GS-1 as substrate
50000708	6	ChEMBL_1691198 (CHEMBL4041847)	Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQS(PO4)EDEEENH as substrate after 60 mins in presence of [gamma32P]ATP by TopCount method
50000708	7	ChEMBL_1691200 (CHEMBL4041849)	Inhibition of recombinant human GSK3beta
50037313	1	ChEMBL_208002 (CHEMBL816084)	Binding affinity constant against HSV-1 thymidine kinase
50000708	8	ChEMBL_1691195 (CHEMBL4041844)	Inhibition of GST-tagged GSK3beta (unknown origin) expressed in Escherichia coli BL21-CodonPlus (DE3) by Z'-LYTE assay
50000708	9	ChEBML_1691193	Inhibition of GSK3beta (unknown origin)
50000710	1	ChEBML_1691204	Inhibition of Staphylococcus aureus DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining based fluorescence assay
50037315	1	ChEMBL_49315 (CHEMBL660834)	Inhibitory potency of compound against human Coagulation factor Xa
50037315	2	ChEMBL_208532 (CHEMBL813626)	Inhibitory potency against human thrombin
50037316	1	ChEMBL_62331 (CHEMBL674425)	Ability to inhibit high affinity uptake of [3H]DA at Dopamine transporter (DAT) using rat brain striatum
50037316	2	ChEMBL_201806 (CHEMBL806139)	Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain
50037316	3	ChEMBL_143105 (CHEMBL749355)	Ability to inhibit high affinity uptake of [3H]NE at Norepinephrine transporter (NET) using rat brain parietal/occipital cortex
50037316	4	ChEMBL_143104 (CHEMBL749354)	Ability to inhibit high affinity uptake of [3H]-5-HT at Serotonin transporter (SERT) using rat midbrain
50037317	1	ChEMBL_105980 (CHEMBL713993)	Inhibition of human matrix metalloprotease-1
50037317	2	ChEMBL_106147 (CHEMBL718694)	Inhibition of human matrix metalloprotease-1
50037317	3	ChEMBL_106155 (CHEMBL718851)	Inhibition of human matrix metalloprotease-1
50037317	4	ChEMBL_106274 (CHEMBL713792)	Inhibition of human matrix metalloprotease-1
50037318	1	ChEMBL_89084 (CHEMBL878448)	Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay
50037318	2	ChEMBL_89085 (CHEMBL698595)	Inhibition of mouse interleukin-2 alpha receptor by ELISA
50037318	3	ChEMBL_89083 (CHEMBL698594)	Inhibition of mouse Interleukin-2 receptor alpha
50037318	4	ChEMBL_105185 (CHEMBL713660)	Effective concentration required against phosphorylation of Mammary gland factor/STAT5
50037318	5	ChEMBL_105184 (CHEMBL713659)	Effective concentration required against phosphorylation of Mammary gland factor/STAT5
50037319	1	ChEMBL_238 (CHEMBL615270)	Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase
50037319	2	ChEMBL_236 (CHEMBL615268)	Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphorylase
50000710	2	ChEMBL_1691202 (CHEMBL4041851)	Binding affinity to Escherichia coli ATCC 25922 DNA gyrase B by surface plasmon resonance assay
50037320	1	ChEMBL_215012 (CHEMBL818810)	Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla
50000710	3	ChEBML_1691201	Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining based fluorescence assay
50037320	5	ChEMBL_28651 (CHEMBL643830)	Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT)
50000710	4	ChEMBL_1691201 (CHEMBL4041850)	Inhibition of Escherichia coli ATCC 25922 DNA gyrase B using relaxed pNO1 DNA as substrate incubated for 30 mins and measured by sybrGOLD staining based fluorescence assay
50037320	7	ChEMBL_214715 (CHEMBL815213)	Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells
50037320	9	ChEMBL_201579 (CHEMBL809856)	Binding affinity to Sigma opioid receptor type 2 in guinea pig brain homogenate with 4 nM of [3H](+)-DTG as radioligand
50037320	10	ChEMBL_355 (CHEMBL615410)	Compound was evaluated for its inhibitory constant against 3-dehydroquinate synthase
50037320	11	ChEMBL_35564 (CHEMBL647512)	In vitro binding affinity against angiotensin II AT-2 receptor
50037320	13	ChEMBL_201428 (CHEMBL809831)	Binding affinity to Sigma opioid receptor type 1 in guinea pig brain homogenate with 0.5 nM of [3H](+)-PENT as radioligand
50000711	1	ChEBML_1691217	Inhibition of human topoisomerase-2alpha assessed as reduction in enzyme-mediated decatenation using kinetoplast DNA as substrate after 15 mins by ethidium bromide staining based agarose gel electrophoresis method
50000713	1	ChEBML_1691278	Antagonist activity at H3 receptor (unknown origin)
50000713	2	ChEMBL_1691274 (CHEMBL4041923)	Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta scintillation counting method
50000713	9	ChEMBL_1691275 (CHEMBL4041924)	Antagonist activity at human H4 receptor expressed in CHO cells co-expressing Galphai2 assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta scintillation counting method
50000713	3	ChEBML_1691281	Antagonist activity at H4 receptor (unknown origin)
50000713	4	ChEMBL_1691276 (CHEMBL4041925)	Agonist activity at human H4 receptor expressed in CHO cell membranes co-expressing Galphai2 by GTPgamma[35S] binding assay
50000713	5	ChEBML_1691277	Antagonist activity at D3 receptor (unknown origin)
50037323	1	ChEMBL_305404 (CHEMBL877001)	Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor
50037323	2	ChEMBL_306508 (CHEMBL828113)	Inhibition of dexamethasone-induced glucocorticoid receptor mediated tyrosine aminotransferase in rat hepatocytes
50037323	3	ChEMBL_312773 (CHEMBL835185)	Inhibition of dexamethasone-induced glucocorticoid receptor mediated alkaline phosphatase activity
50037323	4	ChEMBL_304589 (CHEMBL828479)	Inhibition of human progesterone receptor
50037324	1	ChEMBL_305749 (CHEMBL829520)	Inhibition of [3H]dexamethasone binding to human glucocorticoid receptor
50037324	2	ChEMBL_312728 (CHEMBL834764)	Inhibition of glucocorticoid receptor Dexamethasone response in reporter gene assay
50000713	10	ChEMBL_1691279 (CHEMBL4041928)	Inhibition of human ERG
50000713	7	ChEMBL_1691280 (CHEMBL4041929)	Antagonist activity at human H4 receptor assessed as inhibition of imetit-induced GTPgamma[35S] binding after 30 mins by microbeta scintillation counting method
50037326	1	ChEMBL_305696 (CHEMBL874435)	Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1
50037326	2	ChEMBL_305697 (CHEMBL828068)	Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2
50037326	3	ChEMBL_306084 (CHEMBL833585)	Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase
50037327	1	ChEMBL_305397 (CHEMBL833047)	Inhibitory concentration against Coagulation factor II
50037327	2	ChEMBL_305554 (CHEMBL828573)	Inhibitory concentration against human Coagulation factor X
50037328	1	ChEMBL_305341 (CHEMBL833561)	Inhibitory activity against Human immunodeficiency virus-1 protease
50037328	2	ChEMBL_302703 (CHEMBL839575)	Binding activity towards Human immunodeficiency virus-1 protease
50037329	1	ChEMBL_306403 (CHEMBL828744)	Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells
50037329	2	ChEMBL_306402 (CHEMBL828743)	Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells
50037330	1	ChEMBL_303395 (CHEMBL840058)	Binding affinity towards human D1 dopamine receptor was determined by using [3H]-SCH- 23390 as radioligand
50037330	2	ChEMBL_303416 (CHEMBL840079)	Binding affinity towards human D2 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand
50037330	3	ChEMBL_312515 (CHEMBL833262)	Antagonism of D1 dopamine receptor of human was determined in C6D1 low-density cells by using cyclic AMP assay
50037330	4	ChEMBL_303230 (CHEMBL827195)	High binding affinity towards human D2 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand
50037330	5	ChEMBL_303221 (CHEMBL827187)	Low binding affinity towards human D2 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand
50037330	6	ChEMBL_303541 (CHEMBL839654)	Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand
50037330	7	ChEMBL_303526 (CHEMBL839640)	Binding affinity towards rat 5-hydroxytryptamine 2A receptor was determined by using [3H]-ketanserin as radioligand
50037330	8	ChEMBL_303542 (CHEMBL839655)	Binding affinity towards rat 5-hydroxytryptamine 2C receptor was determined by using [3H]mesulergine as radioligand
50037330	9	ChEMBL_303417 (CHEMBL840080)	Binding affinity towards human D3 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand
50037330	10	ChEMBL_305403 (CHEMBL833053)	Concentration required to inhibit [3H]YM-09151-2 binding to human D2 dopamine receptor
50037332	1	ChEMBL_306059 (CHEMBL832196)	Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney
50037332	2	ChEMBL_305942 (CHEMBL874548)	Inhibitory concentration against rat dipeptidyl peptidase IV
50037332	3	ChEMBL_305836 (CHEMBL829577)	Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay
50037332	4	ChEMBL_305837 (CHEMBL829578)	Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay
50037332	5	ChEMBL_306002 (CHEMBL832675)	Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay
50037333	1	ChEMBL_302969 (CHEMBL827949)	Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)
50037333	2	ChEMBL_302489 (CHEMBL827179)	Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)
50037334	1	ChEMBL_305434 (CHEMBL877002)	Inhibitory activity against endothelial nitric oxide synthase in human
50037334	2	ChEMBL_305342 (CHEMBL833562)	Inhibitory activity against neuronal nitric oxide synthase in human
50037335	1	ChEMBL_302844 (CHEMBL827889)	Binding affinity for Prostanoid FP receptor of bovine corpus luteum
50037336	1	ChEMBL_305165 (CHEMBL832755)	Inhibitory activity against Endothelial nitric oxide synthase
50037336	2	ChEMBL_305090 (CHEMBL832395)	Inhibitory activity against Inducible nitric oxide synthase
50037336	3	ChEMBL_305039 (CHEMBL831677)	Inhibitory activity against Neuronal nitric oxide synthase
50037337	1	ChEMBL_302449 (CHEMBL827145)	Inhibition of cyclophilin A rotamase
50037338	1	ChEMBL_306348 (CHEMBL828167)	In vitro inhibitory activity against alpha v beta 5 vitronectin protein interaction was measured by ELISA
50037338	2	ChEMBL_306346 (CHEMBL828165)	In vitro inhibitory activity against alpha 5 beta 1 fibronectin protein interaction was measured by ELISA
50037338	3	ChEMBL_306416 (CHEMBL828087)	In vitro inhibitory activity against alpha IIb beta IIIa fibrinogen protein interaction was measured by ELISA
50037339	1	ChEMBL_302495 (CHEMBL828212)	Binding affinity for mouse Prostanoid EP1 receptor
50037339	2	ChEMBL_302496 (CHEMBL875211)	Binding affinity for mouse Prostanoid EP2 receptor
50037339	3	ChEMBL_302469 (CHEMBL826334)	Binding affinity for mouse Prostanoid DP receptor
50037339	4	ChEMBL_302498 (CHEMBL828214)	Binding affinity for mouse Prostanoid EP4 receptor
50037339	5	ChEMBL_305168 (CHEMBL832758)	Inhibition of mouse Prostanoid DP receptor
50037339	6	ChEMBL_302497 (CHEMBL828213)	Binding affinity for mouse Prostanoid EP3 receptor
50037340	1	ChEMBL_302422 (CHEMBL828825)	Inhibitory constant against carbonic anhydrase IV
50037340	2	ChEMBL_302411 (CHEMBL828816)	Inhibitory constant against carbonic anhydrase I
50037340	3	ChEMBL_302421 (CHEMBL875204)	Inhibitory constant against carbonic anhydrase II
50037340	4	ChEMBL_303052 (CHEMBL828021)	Inhibitory constant against methanoarchaeon Methanobacterium thermoautotrophicum (Cab)
50037340	5	ChEMBL_302990 (CHEMBL830229)	Inhibitory constant against methanoarchaeon Methanobacterium thermoautotrophicum (Cab)
50037340	6	ChEMBL_302973 (CHEMBL827952)	Inhibitory constant against methanoarchaea Methanobacterium thermoautotrophicum (Cab)
50037341	1	ChEMBL_302518 (CHEMBL828233)	Binding affinity against 5-hydroxytryptamine 6 receptor
50000713	8	ChEMBL_1691281 (CHEMBL4041930)	Antagonist activity at H4 receptor (unknown origin)
50000714	1	ChEBML_1691282	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method
50000714	2	ChEBML_1691283	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50000714	3	ChEMBL_1691284 (CHEMBL4041933)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method
50000714	5	ChEMBL_1691289 (CHEMBL4041938)	Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cAMP competition binding based scintillation counting method
50000714	4	ChEBML_1691289	Antagonist activity at human A3 receptor expressed in CHO cells assessed as inhibition of CI-IB-MECA-mediated inhibition of cAMP production by [3H]cAMP competition binding based scintillation counting method
50000715	1	ChEMBL_1691301 (CHEMBL4041950)	Displacement of [3H]R-PIA from adenosine receptor A1 in rat brain cortical membrane
50000715	2	ChEMBL_1691303 (CHEMBL4041952)	Displacement of [3H]NECA from adenosine receptor A2a in rat brain striatal membrane
50000715	9	ChEMBL_1691295 (CHEMBL4041944)	Displacement of [3H]NECA from adenosine receptor A2a in rat striatial membrane
50000715	4	ChEMBL_1691296 (CHEMBL4041945)	Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane in presence of GTP by GTP shift assay
50000715	5	ChEBML_1691304	Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane
50000715	7	ChEMBL_1691299 (CHEMBL4041948)	Displacement of N6-[3H]cyclohexyladenosine from adenosine receptor A1 in rat cerebral cortical membrane
50000715	6	ChEBML_1691302	Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane
50000715	8	ChEMBL_1691302 (CHEMBL4041951)	Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane
50000715	10	ChEMBL_1691294 (CHEMBL4041943)	Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane
50000715	3	ChEMBL_1691304 (CHEMBL4041953)	Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane
50037345	1	ChEMBL_304914 (CHEMBL827807)	Inhibitory concentration against IKr potassium channel
50037346	1	ChEMBL_302769 (CHEMBL838832)	Binding affinity against bovine Tachykinin receptor 2
50037347	1	ChEMBL_306454 (CHEMBL829531)	Inhibitory activity against strand transfer in wild-type HIV-1 integrase was determined using 21-mer oligonucleotide substrate
50037347	2	ChEMBL_306520 (CHEMBL827271)	Inhibitory activity against 3'-processing step in wild-type HIV-1 integrase was determined using 21-mer oligonucleotide substrate
50000716	1	ChEBML_1691312	Inhibition of GST tagged recombinant mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50000716	2	ChEBML_1691313	Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50000716	13	ChEMBL_1691309 (CHEMBL4041958)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50000716	14	ChEMBL_1691308 (CHEMBL4041957)	Inhibition of human recombinant CDK5/p25 after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50000716	12	ChEMBL_1691307 (CHEMBL4041956)	Inhibition of human recombinant CDK2/cyclin A after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037350	1	ChEMBL_306053 (CHEMBL833009)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
50037350	2	ChEMBL_306054 (CHEMBL833010)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes
50037350	3	ChEMBL_306057 (CHEMBL833013)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
50037350	4	ChEMBL_306056 (CHEMBL833012)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 4 expressed on CHO cell membranes
50037350	5	ChEMBL_306055 (CHEMBL833011)	Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 3 expressed on CHO cell membranes
50037351	1	ChEMBL_304459 (CHEMBL832507)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
50037351	2	ChEMBL_304395 (CHEMBL830045)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
50037351	3	ChEMBL_304397 (CHEMBL830047)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 4 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
50037351	4	ChEMBL_304458 (CHEMBL832506)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
50037351	5	ChEMBL_304398 (CHEMBL830048)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 5 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
50037351	6	ChEMBL_304394 (CHEMBL830044)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
50037351	7	ChEMBL_304396 (CHEMBL830046)	In vitro binding affinity towards human Sphingosine 1-phosphate receptor 3 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
50037352	1	ChEMBL_304757 (CHEMBL829354)	Inhibition of Farnesyltransferase
50037353	1	ChEMBL_304997 (CHEMBL829433)	Inhibition of purified human steroid sulfatase
50037354	1	ChEMBL_303168 (CHEMBL829979)	Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1
50037354	3	ChEMBL_310609 (CHEMBL837187)	Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor like 1
50037354	6	ChEMBL_303169 (CHEMBL829980)	Inhibition of [3H]diprenorphine binding to human Opioid receptor mu 1
50000716	6	ChEBML_1691310	Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50000716	7	ChEBML_1691316	Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037355	1	ChEMBL_303534 (CHEMBL839648)	In vitro inhibitory concentration against Protein-tyrosine phosphatase 1B hydrolysis of p-nitrophenol phosphate
50037356	2	ChEMBL_305557 (CHEMBL828576)	Inhibitory concentration against recombinant human Protein kinase C beta 2
50037356	3	ChEMBL_305575 (CHEMBL828023)	Inhibitory concentration against recombinant human Protein kinase C epsilon
50037357	1	ChEBML_305098	Inhibition of Beta-galactosidase of bovine liver
50037357	3	ChEBML_305045	Inhibition of Beta-glucosidase of rat intestine
50037358	1	ChEMBL_303025 (CHEMBL830413)	Inhibition of rat prostate cytosolic androgen receptor
50000716	8	ChEBML_1691311	Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037360	1	ChEMBL_303122 (CHEMBL829631)	Inhibitory activity against Escherichia coli deoxyxylulose 5-phosphate reductoisomerase
50037360	2	ChEMBL_303054 (CHEMBL828880)	Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase
50037360	3	ChEMBL_302829 (CHEMBL838619)	Binding affinity against Synechocystis strain PCC6803 DXP reductoisomerase
50037361	1	ChEMBL_304811 (CHEMBL827901)	Inhibition of human histone deacetylase 1 prepared from 293T cells
50037361	2	ChEMBL_304813 (CHEMBL877320)	Inhibition of human histone deacetylase 6 prepared from 293T cells
50037361	3	ChEMBL_304812 (CHEMBL827902)	Inhibition of human histone deacetylase 4 prepared from 293T cells
50037361	4	ChEMBL_304814 (CHEMBL827903)	Inhibition of human histone deacetylase 8 prepared from 293T cells
50037362	1	ChEMBL_302864 (CHEMBL828779)	Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli BL21
50037362	2	ChEMBL_302881 (CHEMBL828795)	Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli BL21
50037362	3	ChEMBL_302882 (CHEMBL828796)	Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21
50037363	1	ChEMBL_302781 (CHEMBL838843)	Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli
50037363	2	ChEMBL_302947 (CHEMBL841782)	Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherichia coli TOP 10
50037363	4	ChEMBL_302809 (CHEMBL838517)	Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli
50037364	9	ChEMBL_303510 (CHEMBL838624)	Binding affinity for 5-hydroxytryptamine 4 receptor in rat was determined by rat tunica muscularis mucosae assay
50037364	6	ChEMBL_304409 (CHEMBL831814)	Effective concentration required towards 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as the radioligand
50000716	9	ChEBML_1691317	Inhibition of GST tagged recombinant human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037365	1	ChEMBL_312715 (CHEMBL837998)	In vitro inhibition of human platelet aggregation in suspension
50037365	2	ChEMBL_303801 (CHEMBL829850)	In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets
50037365	3	ChEMBL_312865 (CHEMBL874943)	In vitro inhibition of Collagen-induced platelet aggregation in canine platelet rich plasma
50037365	4	ChEMBL_312774 (CHEMBL833423)	In vitro inhibition of human platelet aggregation in platelet rich plasma
50037365	5	ChEMBL_306902 (CHEMBL828345)	In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets
50037367	1	ChEMBL_304771 (CHEMBL828537)	Tested for inhibition of binding to MC4 receptor
50037367	3	ChEMBL_304771 (CHEMBL828537)	Tested for inhibition of binding to MC4 receptor
50037367	4	ChEMBL_303567 (CHEMBL828967)	Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand
50037367	6	ChEMBL_303564 (CHEMBL828964)	Binding affinity towards human melanocortin 1 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand
50037368	1	ChEBML_302616	Binding affinity for dopamine D2 receptor
50037368	2	ChEBML_302618	Binding affinity for dopamine D4 receptor
50037369	1	ChEMBL_302698 (CHEMBL839571)	Inhibition constant against human carbonic anhydrase isozyme hCA II
50037369	2	ChEMBL_302638 (CHEMBL839929)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV
50037369	3	ChEMBL_302636 (CHEMBL839927)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA II
50037369	5	ChEMBL_302640 (CHEMBL839931)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA IX
50037369	6	ChEMBL_302699 (CHEMBL839572)	Inhibition constant against human carbonic anhydrase isozyme hCA IV
50037369	8	ChEMBL_302607 (CHEMBL839657)	Inhibition constant of anion against human carbonic anhydrase isozyme hCA I
50037369	9	ChEMBL_302672 (CHEMBL839435)	Inhibition constant against human carbonic anhydrase isozyme hCA I
50000716	10	ChEBML_1691314	Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037370	1	ChEMBL_302866 (CHEMBL828781)	Binding affinity towards human cloned carbonic anhydrase II
50037370	2	ChEMBL_302854 (CHEMBL828770)	Binding affinity towards human cloned carbonic anhydrase I
50037370	3	ChEMBL_302868 (CHEMBL828783)	Binding affinity towards human cloned carbonic anhydrase IX
50037371	1	ChEMBL_302855 (CHEMBL828771)	Binding affinity towards human cloned carbonic anhydrase I
50037371	2	ChEMBL_302867 (CHEMBL828782)	Binding affinity towards human cloned carbonic anhydrase II
50037372	1	ChEMBL_302332 (CHEMBL828918)	Inhibition of human placental AdoHcy hydrolase
50037373	1	ChEMBL_303030 (CHEMBL830417)	Binding affinity for human placental S-adenosyl-homocysteine hydrolase
50037374	1	ChEMBL_306187 (CHEMBL830981)	Inhibitory concentration for human cell division cycle 25 degree C phosphatase; not active
50037374	2	ChEMBL_305864 (CHEMBL831908)	Inhibitory concentration for human cell division cycle 25 degree C phosphatase
50037376	2	ChEMBL_303297 (CHEMBL827430)	Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease
50037376	1	ChEMBL_303298 (CHEMBL827431)	Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease
50037377	1	ChEMBL_305897 (CHEMBL832911)	Inhibition of rat intestinal isomaltase using disaccharide
50037377	2	ChEMBL_305799 (CHEMBL827987)	Inhibition of rat intestinal maltase using disaccharide
50037377	3	ChEMBL_305800 (CHEMBL827988)	Inhibition of rat intestinal sucrase using disaccharide
50037377	4	ChEMBL_304941 (CHEMBL826970)	Inhibitory activity against trehalase from porcine kidney
50037377	5	ChEMBL_305198 (CHEMBL832785)	Inhibitory activity against beta-Glucosidase from sweet almond
50037377	6	ChEMBL_304922 (CHEMBL827814)	Inhibitory activity against trehalase from porcine kidney
50037377	8	ChEMBL_304940 (CHEMBL826969)	Inhibitory activity against alpha-Glucosidase from rice
50037377	9	ChEMBL_305875 (CHEMBL831919)	Inhibitory activity against rat intestinal isomaltase using disaccharide
50037377	11	ChEMBL_305641 (CHEMBL829500)	Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum
50037377	10	ChEMBL_304920 (CHEMBL827812)	Inhibitory activity against alpha-Glucosidase from rice
50037377	12	ChEMBL_305613 (CHEMBL828151)	Inhibitory activity against beta-Glucosidase from Caldocellum saccharolyticum
50037377	13	ChEMBL_305779 (CHEMBL827968)	Inhibitory activity against rat intestinal maltase using disaccharide
50037377	14	ChEMBL_305780 (CHEMBL827969)	Inhibitory activity against rat intestinal sucrase using disaccharide
50037377	16	ChEMBL_305176 (CHEMBL832765)	Inhibitory activity against beta-Glucosidase from sweet almond
50037378	1	ChEMBL_303240 (CHEMBL827205)	Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila
50037378	2	ChEMBL_303239 (CHEMBL827204)	Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila
50037378	3	ChEMBL_303051 (CHEMBL876374)	Inhibitory activity against human carbonic anhydrase I at 0.09 uM
50037378	4	ChEMBL_303344 (CHEMBL840160)	Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum
50037378	5	ChEMBL_303081 (CHEMBL830313)	Inhibitory activity against human carbonic anhydrase IX at 0.09 uM
50037378	6	ChEMBL_303080 (CHEMBL830312)	Inhibitory activity against human carbonic anhydrase II at 0.01 uM
50037379	1	ChEBML_305921	Inhibition of [3H]citalopram binding to human serotonin transporter (hSERT)
50037379	2	ChEBML_305747	Inhibition of [3H]WIN-35428 binding to human dopamine transporter (hDAT)
50037380	1	ChEMBL_305798 (CHEMBL827986)	Inhibitory activity against Hepatitis C virus NS3 protease by ELISA
50037381	1	ChEMBL_306030 (CHEMBL829956)	In vitro inhibition of human Peroxisome proliferator activated receptor alpha
50037381	2	ChEMBL_306031 (CHEMBL829957)	In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha
50037381	3	ChEMBL_304229 (CHEMBL828944)	Transactivation activity for human Peroxisome proliferator activated receptor alpha
50037381	4	ChEMBL_304230 (CHEMBL829769)	Transactivation activity for mouse Peroxisome proliferator activated receptor alpha
50037382	1	ChEMBL_306368 (CHEMBL829165)	Inhibitory concentration against RNA dependent RNA polymerase nonstructural protein 5B of hepatitis C virus
50037382	2	ChEMBL_304847 (CHEMBL828407)	Inhibitory concentration against Cytochrome P450 2D6
50037382	3	ChEMBL_304848 (CHEMBL828408)	Inhibitory concentration against Cytochrome P450 3A4
50037383	1	ChEMBL_306503 (CHEMBL828108)	Concentration for 50% inhibition of human melanocortin-1 receptor expressed in CHO cells using [125I]-NDP-alpha-MSH as radioligand
50037383	2	ChEMBL_306505 (CHEMBL828110)	Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand
50000716	11	ChEBML_1691315	Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based scintillation counting analysis
50037383	4	ChEMBL_306506 (CHEMBL828111)	Concentration for 50% inhibition of human melanocortin-5 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand
50037384	1	ChEMBL_302555 (CHEMBL839518)	Binding affinity towards aminopeptidase N
50037384	2	ChEMBL_306147 (CHEMBL832202)	Inhibition of human matrix metalloprotease-14 expressed in Escherichia coli
50037384	3	ChEMBL_305237 (CHEMBL876989)	Inhibitory concentration against aminopeptidase N
50037384	4	ChEMBL_306131 (CHEMBL833070)	Inhibition of human matrix metalloprotease-9 expressed in Sf9 insect cells
50037384	5	ChEMBL_306130 (CHEMBL833069)	Inhibition of human matrix metalloprotease-2 expressed in Sf9 insect cells
50037384	6	ChEMBL_305956 (CHEMBL831969)	Inhibitory concentration against adipocyte-derived leucine aminopeptidase
50037385	3	ChEBML_302435	Mean inhibitory concentration against plasmin; n=3
50037386	1	ChEMBL_305139 (CHEMBL832434)	In vitro agonist activity against Opioid receptor delta in mouse vas deferens
50037386	4	ChEBML_306065	In vitro agonist activity against Opioid receptor mu in guinea pig ileum/longitudinal muscle myenteric plexus
50037386	5	ChEBML_305139	In vitro agonist activity against Opioid receptor delta in mouse vas deferens
50037387	1	ChEMBL_303118 (CHEMBL829627)	Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane
50037388	1	ChEMBL_304461 (CHEMBL832509)	Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding
50037388	2	ChEMBL_303392 (CHEMBL839963)	Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells
50037389	1	ChEMBL_302401 (CHEMBL829646)	Binding affinity against thrombin in human plasma
50037391	1	ChEMBL_302571 (CHEMBL839532)	Inhibitory activity towards human Melanocortin 1 Receptor
50037391	3	ChEMBL_302572 (CHEMBL839533)	Inhibitory activity towards human Melanocortin 4 Receptor
50037392	6	ChEMBL_304245 (CHEMBL841800)	Effective concentration against liver X receptor-alpha in HEK293 cell transactivation assay
50037393	1	ChEMBL_303377 (CHEMBL839695)	Inhibition of [3H]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha7 of IMR32 cells
50037394	1	ChEMBL_306461 (CHEMBL829538)	Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand
50037394	2	ChEMBL_306213 (CHEMBL831122)	Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand
50037395	1	ChEMBL_303764 (CHEMBL829986)	Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells
50037395	2	ChEMBL_303729 (CHEMBL829635)	Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells
50037395	3	ChEMBL_303757 (CHEMBL829800)	Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells
50037395	4	ChEMBL_303806 (CHEMBL829027)	Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressing reporter plasmid in a reporter gene assay
50037396	1	ChEMBL_303217 (CHEMBL827183)	Displacement of [3H]PGD-2 from human Prostanoid DP receptor
50037396	2	ChEMBL_303292 (CHEMBL828285)	Displacement of [3H]iloprost from human Prostanoid IP receptor
50037396	3	ChEMBL_303236 (CHEMBL827201)	Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor
50037396	4	ChEMBL_303235 (CHEMBL827200)	Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor
50037396	5	ChEMBL_303275 (CHEMBL828269)	Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor
50037396	6	ChEMBL_303233 (CHEMBL827198)	Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor
50037396	7	ChEMBL_303234 (CHEMBL827199)	Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor
50037396	8	ChEMBL_303218 (CHEMBL827184)	Displacement of [3H]PGF-2 from human Prostanoid FP receptor
50037397	1	ChEMBL_302314 (CHEMBL828903)	Inhibitory constant against human Carbonic anhydrase II
50037397	2	ChEMBL_302318 (CHEMBL828906)	Inhibitory constant against human Carbonic anhydrase IX
50037397	3	ChEMBL_302302 (CHEMBL827063)	Inhibitory constant against human Carbonic anhydrase I
50037398	1	ChEMBL_302783 (CHEMBL839468)	Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptor
50037399	1	ChEMBL_302220 (CHEMBL826993)	Dissociation constant for mouse Galectin-3
50037400	1	ChEMBL_306769 (CHEMBL831866)	Inhibitory concentration against Escherichia coli Met-tRNA synthetase
50037400	2	ChEMBL_306758 (CHEMBL832651)	Inhibitory concentration against Escherichia coli Ile-tRNA synthetase 
50037401	1	ChEMBL_303299 (CHEMBL827432)	Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells
50037402	1	ChEMBL_302678 (CHEMBL839441)	Binding affinity against h5-HT6 receptor transiently expressed in HEK293 cells
50037403	1	ChEMBL_302432 (CHEMBL827130)	Inhibitory constant against human sst2 receptor at a dose of 10 uM
50037403	2	ChEMBL_302433 (CHEMBL827131)	Inhibitory constant against human sst5 receptor at a dose of 10 uM
50037403	3	ChEMBL_302376 (CHEMBL830344)	Binding affinity against human sst1 receptor at a dose of 10 uM
50037403	6	ChEMBL_302377 (CHEMBL830345)	Binding affinity against human sst3 receptor at 10 uM
50037403	7	ChEMBL_302378 (CHEMBL830346)	Binding affinity against human sst4 receptor at a dose of 10 uM
50037404	1	ChEMBL_304308 (CHEMBL830103)	Effective concentration against sphingosine 1-phosphate receptor 4 determined by a [c-35S]-GTP binding assay
50037404	2	ChEMBL_304296 (CHEMBL830091)	Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
50037404	3	ChEMBL_304307 (CHEMBL830102)	Effective concentration against sphingosine 1-phosphate receptor 3 determined by a [c-35S]-GTP binding assay
50037404	4	ChEMBL_304306 (CHEMBL830101)	Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay
50037404	5	ChEMBL_304309 (CHEMBL830104)	Effective concentration against sphingosine 1-phosphate receptor 5 determined by a [c-35S]-GTP binding assay
50037405	1	ChEMBL_302641 (CHEMBL876690)	Agonistic activity against human k-opioid receptor using [3H]diprenorphine
50037405	2	ChEMBL_304227 (CHEMBL828942)	Activation of human k-opioid receptor as increased [35S]GTPcS binding 
50037406	1	ChEMBL_302944 (CHEMBL841779)	Inhibitory activity against human carbonic anhydrase II
50037406	2	ChEMBL_302924 (CHEMBL830383)	Inhibitory activity against human carbonic anhydrase I
50037406	3	ChEMBL_303378 (CHEMBL877449)	Inhibitory activity against catalytic domain of human carbonic anhydrase XII
50037407	1	ChEMBL_303220 (CHEMBL827186)	Inhibitory constant against catalytic domain of human carbonic anhydrase XII
50037407	2	ChEMBL_303196 (CHEMBL829822)	Inhibitory constant against catalytic domain of human carbonic anhydrase IX
50037407	3	ChEMBL_303047 (CHEMBL828017)	Inhibitory constant against cytosolic human Carbonic anhydrase III using CO2 hydrase assay
50037407	4	ChEMBL_303797 (CHEMBL829846)	Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay
50037407	5	ChEMBL_303006 (CHEMBL830245)	Inhibitory constant against cytosolic human Carbonic anhydrase I using CO2 hydrase assay
50037407	6	ChEMBL_303022 (CHEMBL830410)	Inhibitory constant against cytosolic human Carbonic anhydrase II using CO2 hydrase assay
50037408	1	ChEMBL_305980 (CHEMBL832145)	In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate
50037408	2	ChEMBL_306522 (CHEMBL827273)	In vitro inhibitory concentration against rat cortex acetylcholinesterase
50037409	1	ChEMBL_306231 (CHEMBL831139)	Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells
50037409	2	ChEMBL_306788 (CHEMBL832373)	Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HEK293 cells
50037409	3	ChEMBL_306270 (CHEMBL874561)	Inhibitory activity against neuropeptide Y receptor type 5 by using [125I]PYY as radioligand expressed in COS-1 cells
50037410	1	ChEMBL_302874 (CHEMBL828788)	Inhibition constant against luciferase with respect to luciferyl-adenylate
50037410	2	ChEMBL_303002 (CHEMBL830241)	Inhibition constant against luciferase with respect to natural substrate luciferin
50037410	3	ChEMBL_302964 (CHEMBL828808)	Inhibition constant against luciferase with respect to natural substrate Mg-ATP
50037411	1	ChEMBL_302556 (CHEMBL839519)	Binding affinity towards inducible nitric oxide synthase
50037413	1	ChEMBL_305223 (CHEMBL831643)	Inhibition of T-type [Ca2+] channel (alpha1G) expressed in HEK293 cells
50037415	1	ChEMBL_302234 (CHEMBL828854)	Dissociation constant of radiolabeled compound against recombinant human Metabotropic glutamate receptor 8
50037415	2	ChEMBL_306301 (CHEMBL828593)	Inhibitory concentration against [3H]1 binding to recombinant human Metabotropic glutamate receptor 8
50037416	1	ChEMBL_303334 (CHEMBL840150)	Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21
50037416	2	ChEMBL_303317 (CHEMBL876385)	Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21
50037416	3	ChEMBL_303516 (CHEMBL839630)	Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21
50037417	1	ChEMBL_302795 (CHEMBL839479)	Binding affinity for human prostanoid EP2 receptor
50037417	2	ChEMBL_302796 (CHEMBL839480)	Binding affinity for human prostanoid EP3 receptor
50037417	3	ChEMBL_302797 (CHEMBL839481)	Binding affinity for human prostanoid EP4 receptor
50037417	4	ChEMBL_302794 (CHEMBL839478)	Binding affinity for human prostanoid EP1 receptor
50037418	1	ChEMBL_302536 (CHEMBL827388)	Inhibitory activity against human Carbonic anhydrase IX
50037418	2	ChEMBL_302535 (CHEMBL827387)	Inhibitory activity against human Carbonic anhydrase IV
50037418	3	ChEMBL_302534 (CHEMBL827386)	Inhibitory activity against human Carbonic anhydrase II
50037418	4	ChEMBL_302504 (CHEMBL828220)	Inhibitory activity against human Carbonic anhydrase I
50037418	5	ChEMBL_302505 (CHEMBL828221)	Inhibitory activity against human Carbonic anhydrase V
50037419	1	ChEMBL_303142 (CHEMBL829116)	Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX
50037419	2	ChEMBL_302714 (CHEMBL839585)	Inhibitory activity against cytosolic human carbonic anhydrase I
50037419	3	ChEMBL_302729 (CHEMBL838677)	Inhibitory activity against cytosolic human carbonic anhydrase II
50000717	1	ChEBML_1691361	Inhibition of recombinant Aurora A (unknown origin) after 120 mins in presence of [33P]ATP
50000717	2	ChEMBL_1691362 (CHEMBL4042011)	Inhibition of recombinant c-Src (unknown origin) after 120 mins in presence of [33P]ATP
50000717	7	ChEMBL_1691363 (CHEMBL4042012)	Inhibition of recombinant JAK2 (unknown origin) after 120 mins in presence of [33P]ATP
50000717	8	ChEMBL_1691361 (CHEMBL4042010)	Inhibition of recombinant Aurora A (unknown origin) after 120 mins in presence of [33P]ATP
50000717	6	ChEMBL_1691360 (CHEMBL4042009)	Inhibition of recombinant ABL1 T315I mutant (unknown origin) after 120 mins in presence of [33P]ATP
50000717	3	ChEBML_1691363	Inhibition of recombinant JAK2 (unknown origin) after 120 mins in presence of [33P]ATP
50000717	4	ChEBML_1691364	Inhibition of recombinant GST-tagged c-Src (unknown origin) expressed in insect cells using pEY as substrate preincubated with enzyme followed by [33P]ATP addition measured after after 120 mins
50000717	5	ChEBML_1691359	Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP
50000717	9	ChEMBL_1691359 (CHEMBL4042008)	Inhibition of recombinant ABL1 (unknown origin) after 120 mins in presence of [33P]ATP
50000719	1	ChEBML_1691444	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by Ellman's method
50037422	1	ChEMBL_305887 (CHEMBL832902)	Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase
50037423	1	ChEMBL_303312 (CHEMBL840038)	Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex
50037423	2	ChEMBL_303219 (CHEMBL827185)	Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex
50037423	3	ChEMBL_303179 (CHEMBL829673)	Displacement of [3H]GBR-12935 from dopamine transporter of rat caudate-putamen
50037424	1	ChEMBL_302630 (CHEMBL876689)	Inhibitory activity against human carbonic anhydrase I (hCAI)
50037424	2	ChEMBL_302691 (CHEMBL838574)	Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)
50037424	3	ChEMBL_302668 (CHEMBL839012)	Inhibitory activity against human carbonic anhydrase II (hCAII)
50037424	4	ChEMBL_302669 (CHEMBL839013)	Inhibitory activity against human carbonic anhydrase IV (hCAIV)
50037425	1	ChEMBL_306023 (CHEMBL833538)	Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase
50037426	1	ChEMBL_302394 (CHEMBL829640)	Ki value against human carbonic anhydrase II (hCA II)
50037426	2	ChEMBL_302370 (CHEMBL830339)	Ki value against human carbonic anhydrase I (hCA I)
50037426	3	ChEMBL_302410 (CHEMBL828815)	Ki value against human carbonic anhydrase XII (hCA XII)
50037427	1	ChEMBL_302350 (CHEMBL828071)	Ki value against human carbonic anhydrase VII
50037427	2	ChEMBL_302341 (CHEMBL828925)	Ki value against human carbonic anhydrase I
50037427	3	ChEMBL_302395 (CHEMBL840830)	Ki value against murine carbonic anhydrase XIII
50037427	4	ChEMBL_302349 (CHEMBL828932)	Ki value against human carbonic anhydrase II
50037427	5	ChEMBL_302434 (CHEMBL827132)	Ki value against mouse carbonic anhydrase XIII
50037427	6	ChEMBL_302371 (CHEMBL830340)	Ki value against carbonic anhydrase I
50037427	7	ChEMBL_302409 (CHEMBL828814)	Ki value against human carbonic anhydrase VII
50037427	8	ChEMBL_302420 (CHEMBL828824)	Ki value against mouse carbonic anhydrase VII
50037427	9	ChEMBL_302408 (CHEMBL828813)	Ki value against human carbonic anhydrase III
50037427	10	ChEMBL_302396 (CHEMBL829641)	Ki value against murine carbonic anhydrase XIII
50037428	1	ChEMBL_303805 (CHEMBL829854)	Displacement of [125I]MCH from human Melanin-concentrating hormone 1 (MCH1) receptor modified for optimal expression in HEK293 cells
50037429	1	ChEMBL_305737 (CHEMBL829409)	Inhibition of human matrix metalloprotease-9
50037429	2	ChEMBL_305766 (CHEMBL827103)	Inhibition of human matrix metalloprotease-14
50037429	3	ChEMBL_305736 (CHEMBL829408)	Inhibition of human matrix metalloprotease-8
50037429	4	ChEMBL_305735 (CHEMBL829407)	Inhibition of human matrix metalloprotease-7
50037429	5	ChEMBL_305734 (CHEMBL829406)	Inhibition of human matrix metalloprotease-3
50037429	6	ChEMBL_305733 (CHEMBL829405)	Inhibition of human matrix metalloprotease-2
50037429	7	ChEMBL_305732 (CHEMBL829404)	Inhibition of human matrix metalloprotease-1
50037430	2	ChEBML_302400	Binding affinity against cruzaine
50037430	4	ChEBML_303092	Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)
50037430	3	ChEBML_302567	Binding affinity against human cathepsin K
50037430	6	ChEBML_302447	Binding affinity against cathepsin S
50000719	2	ChEBML_1691445	Inhibition of equine serum BuChE using S-butylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by Ellman's method
50000719	3	ChEBML_1691441	Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluorescence assay
50000719	4	ChEBML_1691442	Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluorescence assay
50037431	1	ChEMBL_305532 (CHEMBL877009)	Inhibitory activity against dipeptidyl peptidase IV (DP-IV)
50037432	4	ChEBML_302594	Inhibition of [3H]-DAMGO binding to recombinant human Opioid receptor mu 1
50037433	1	ChEMBL_302832 (CHEMBL838622)	Binding affinity against 5 Hydroxy tryptamine 6 receptor
50037433	3	ChEMBL_302792 (CHEMBL839476)	Binding affinity against 5-hydroxytryptamine 6 receptor
50037434	1	ChEMBL_302766 (CHEMBL838830)	Binding constant for Opioid receptor mu 1 in mouse
50037435	1	ChEMBL_306659 (CHEMBL831432)	Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation
50037436	1	ChEMBL_304773 (CHEMBL828539)	Anti-oxidant activity in DPPH radical scavenging assay; n=3-4
50037436	2	ChEMBL_311665 (CHEMBL825457)	Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4
50037436	3	ChEMBL_306318 (CHEMBL827763)	Inhibitory concentration against Prostaglandin G/H synthase 2 from sheep placenta at 100 uM
50037436	4	ChEMBL_306295 (CHEMBL828587)	Inhibitory concentration against Prostaglandin G/H synthase 1 of ram seminal vesicles at 100 uM
50037437	4	ChEBML_305270	Inhibition of Phosphodiesterase 2
50037438	1	ChEMBL_305032 (CHEMBL831671)	Inhibition of human farnesyltransferase
50037438	2	ChEMBL_312466 (CHEMBL833084)	Inhibition of cellular reversion in H-ras transformed Rat-1 cells
50037439	1	ChEMBL_306236 (CHEMBL830333)	Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells
50037439	2	ChEMBL_310336 (CHEMBL832470)	Concentration of compound at 50% maximum cAMP accumulation mediated by human melanocortin 5 receptor
50037439	5	ChEMBL_306236 (CHEMBL830333)	Inhibitory concentration to displace [125I]-NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells
50000721	1	ChEMBL_1691461 (CHEMBL4042110)	Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay
50000721	2	ChEMBL_1691462 (CHEMBL4042111)	Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay
50000721	3	ChEMBL_1691464 (CHEMBL4042113)	Inhibition of recombinant human MAO-B after 30 mins
50000721	4	ChEMBL_1691468 (CHEMBL4042117)	Competitive inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50000721	5	ChEMBL_1691469 (CHEMBL4042118)	Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50000721	6	ChEMBL_1691471 (CHEMBL4042120)	Mixed-type inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50000721	7	ChEBML_1691469	Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50000721	8	ChEBML_1691464	Inhibition of recombinant human MAO-B after 30 mins
50000722	1	ChEBML_1691520	Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells using Suc-LLVYaminoluciferin as substrate after 2 hrs by fluorescence analysis
50037440	1	ChEMBL_303552 (CHEMBL828952)	Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus
50037440	2	ChEMBL_310608 (CHEMBL837186)	Potency against rat nicotinic acetylcholine alpha-7 subunit expressed in Xenopus oocytes as current activation
50037441	1	ChEMBL_303068 (CHEMBL828894)	Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand
50037441	2	ChEMBL_303170 (CHEMBL829981)	Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3H]U-69593 as radioligand
50000722	2	ChEBML_1691539	Inhibition of trypsin-like activity of 20S proteasome in human HL60 cells using Z-LRRaminoluciferin as substrate after 2 hrs by fluorescence analysis
50037442	1	ChEMBL_305877 (CHEMBL831921)	Inhibitory concentration against 7-methyl-GTP binding to eukaryotic translation initiation factor 4E
50037443	1	ChEMBL_305519 (CHEMBL827657)	Inhibition of inducible nitric oxide synthase in activated macrophages
50000722	3	ChEBML_1691540	Inhibition of caspase-like activity of 20S proteasome in human HL60 cells using Z-nLPnLDaminoluciferin as substrate after 2 hrs by fluorescence analysis
50037444	1	ChEMBL_304977 (CHEMBL877466)	Inhibitory concentration against Escherichia coli dihydrofolate reductase
50037444	2	ChEMBL_304698 (CHEMBL827998)	Inhibitory concentration against human thymidylate synthase
50037444	3	ChEMBL_304735 (CHEMBL829335)	Inhibitory concentration against human dihydrofolate reductase
50037444	4	ChEMBL_304895 (CHEMBL829374)	Inhibitory concentration against Escherichia coli thymidylate synthase
50037445	1	ChEMBL_302274 (CHEMBL830293)	Inhibition constant towards bovine trypsin
50037445	2	ChEMBL_302325 (CHEMBL828912)	Inhibition constant towards human coagulation factor VII
50037445	3	ChEMBL_302300 (CHEMBL827061)	Inhibition constant towards human coagulation factor X
50037445	4	ChEMBL_302275 (CHEMBL830294)	Inhibition constant towards human thrombin
50037446	2	ChEMBL_303380 (CHEMBL839697)	Mean inhibitory constant towards human carbonic anhydrase II determined by stopped-flow method after 1 hr of incubation
50037446	3	ChEMBL_302946 (CHEMBL841781)	Mean inhibitory constant towards human carbonic anhydrase II determined by stopped-flow method
50000723	1	ChEBML_1691612	Inhibition of recombinant human LSD1 (157 to 852 residues) expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate preincubated for 1 hr followed by substrate addition by fluorescence assay
50000723	2	ChEMBL_1691602 (CHEMBL4042251)	Inhibition of LSD1 (unknown origin)
50037448	1	ChEMBL_302316 (CHEMBL828904)	Inhibitory constant against human Carbonic anhydrase II
50000724	1	ChEBML_1691709	Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method
50037448	3	ChEMBL_302304 (CHEMBL827064)	Inhibitory constant against human Carbonic anhydrase I
50000725	10	ChEMBL_1691727 (CHEMBL4042376)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cells pretreated for 5 mins followed by [3H]epibatidine addition after overnight incubation by beta counter
50000725	8	ChEMBL_1691732 (CHEMBL4042381)	Partial agonist activity at human alpha4beta2 nAChR expressed in GH4CL cells by whole-cell patch clamp method
50000725	7	ChEMBL_1691730 (CHEMBL4042379)	Antagonist activity at human alpha3beta4 nAChR expressed in GH4CL cells by whole-cell patch clamp method
50000725	9	ChEMBL_1691731 (CHEMBL4042380)	Antagonist activity at human alpha4beta2 nAChR expressed in GH4CL cells by whole-cell patch clamp method
50000725	6	ChEMBL_1691729 (CHEMBL4042378)	Displacement of [3H](-)cytisine from rat whole brain alpha4beta2 nAChR
50000727	1	ChEBML_1691736	Inhibition of thrombin (unknown origin) using CH3SO2-D-Cha-Gly-Arg-pNA.AcOH as substrate measured every 20 sec for 30 mins in presence of NaCl by UV-Visible spectrophotometric method
50037449	1	ChEMBL_305700 (CHEMBL827215)	Inhibition of [3H]FPP incorporation by Protein Farnesyltransferase
50037449	2	ChEMBL_306136 (CHEMBL831371)	Inhibition of [3H]GGPP incorporation by Protein Geranylgeranyl transferase type I
50037450	1	ChEMBL_305060 (CHEMBL831696)	Inhibition of human Cyclin-dependent kinase 2
50037450	3	ChEMBL_304639 (CHEMBL877132)	Inhibition of human PDK-1
50037450	5	ChEMBL_304613 (CHEMBL828500)	Inhibition of human Akt1
50037450	6	ChEMBL_304975 (CHEMBL829308)	Inhibition of human Protein kinase C beta 2
50037450	7	ChEMBL_306691 (CHEMBL830848)	Inhibition of Glycogen synthase kinase-3 beta dependent Tau protein serine-396 phosphorylation in human SY5Y cells
50037450	8	ChEMBL_305062 (CHEMBL832694)	Inhibition of human TGF-beta type II receptor
50037450	9	ChEMBL_305679 (CHEMBL828051)	Inhibition of human Vascular endothelial growth factor receptor 2
50037450	10	ChEMBL_304949 (CHEMBL826977)	Inhibition of human Protein kinase A beta
50037450	11	ChEMBL_304614 (CHEMBL877129)	Inhibition of human MLK7
50037450	12	ChEMBL_305251 (CHEMBL833508)	Inhibition of human Glycogen synthase kinase-3 beta
50037450	13	ChEMBL_305061 (CHEMBL832693)	Inhibition of human Cyclin-dependent kinase 4
50037451	2	ChEMBL_303370 (CHEMBL839688)	Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cells
50037451	3	ChEMBL_303439 (CHEMBL839608)	Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cells
50000728	4	ChEMBL_1691773 (CHEMBL4042422)	Inhibition of recombinant human full length His-tagged PI3Kgamma expressed in insect cells
50000728	13	ChEMBL_1691759 (CHEMBL4042408)	Inhibition of human ERG
50037451	1	ChEMBL_310745 (CHEMBL837655)	Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aorta
50037451	4	ChEMBL_303440 (CHEMBL839609)	Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cells
50037451	5	ChEMBL_303369 (CHEMBL839687)	Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells
50037451	6	ChEMBL_310573 (CHEMBL833412)	Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor
50037451	7	ChEMBL_310584 (CHEMBL834240)	Potency against cAMP formation in CHO cells expressing recombinant human A2B receptor
50000728	2	ChEMBL_1691771 (CHEMBL4042420)	Inhibition of recombinant human full length His-tagged PI3Kalpha expressed in baculovirus expression system
50037451	8	ChEMBL_310709 (CHEMBL838054)	Efficacy against phenylephrine precontracted tissue relaxation in rat aorta
50037451	9	ChEMBL_310583 (CHEMBL834239)	Potency against cAMP formation in CHO cells expressing recombinant human A2A receptor
50000728	14	ChEMBL_1691739 (CHEMBL4042388)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50000728	5	ChEMBL_1691776 (CHEMBL4042425)	Inhibition of PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay
50000728	6	ChEMBL_1691777 (CHEMBL4042426)	Inhibition of PI3Kgamma (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay
50037452	1	ChEMBL_302570 (CHEMBL875218)	Inhibition of human glucocorticoid receptor
50037452	2	ChEMBL_302569 (CHEMBL839531)	Inhibition of human Estrogen receptor alpha
50037452	3	ChEMBL_302715 (CHEMBL839586)	Inhibition of human Thyroid hormone receptor alpha
50000728	7	ChEBML_1691739	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50037452	4	ChEMBL_308672 (CHEMBL833648)	Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity
50037452	5	ChEMBL_302562 (CHEMBL839524)	Inhibition of human Estrogen receptor beta
50037452	6	ChEMBL_302632 (CHEMBL839923)	Inhibition of human Mineralocorticoid receptor
50037452	7	ChEMBL_302763 (CHEMBL838827)	Inhibition of glucocorticoid receptor mediated tyrosine amino transferase activity
50037452	8	ChEMBL_302537 (CHEMBL827389)	Inhibition of human progesterone receptor
50037452	9	ChEMBL_302692 (CHEMBL839565)	Inhibition of human Thyroid hormone receptor beta
50037452	10	ChEMBL_302453 (CHEMBL827149)	Inhibition of human androgen receptor
50037453	1	ChEMBL_302762 (CHEMBL838826)	Inhibitory activity against human steroid sulfatase
50037453	2	ChEMBL_312594 (CHEMBL834494)	Inhibitory activity against human steroid sulfatase over-expressed in CHO cells
50000728	8	ChEBML_1691737	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50000728	9	ChEBML_1691776	Inhibition of PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay
50000728	10	ChEBML_1691742	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50037455	1	ChEMBL_310399 (CHEMBL833177)	Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells
50000728	11	ChEMBL_1691770 (CHEMBL4042419)	Inhibition of human full length His-tagged PI3Kdelta expressed in baculovirus expression system
50000728	12	ChEMBL_1691774 (CHEMBL4042423)	Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay
50000728	3	ChEMBL_1691772 (CHEMBL4042421)	Inhibition of recombinant human full length His-tagged PI3Kbeta expressed in insect cells
50037456	1	ChEMBL_304270 (CHEMBL829871)	Binding affinity for human Farnesoid X receptor in FRET assay
50037457	1	ChEMBL_303295 (CHEMBL827428)	Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 of rat cerebral cortex
50037458	2	ChEMBL_303007 (CHEMBL830246)	Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells
50037458	1	ChEMBL_303026 (CHEMBL876372)	Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells
50037458	3	ChEMBL_302928 (CHEMBL830387)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells
50000728	15	ChEMBL_1691741 (CHEMBL4042390)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50037459	1	ChEBML_302933	Binding affinity for isolated C1b domain of protein kinase C-delta
50000729	1	ChEBML_1691779	Inhibition of recombinant human MAO-A using kynuramine as substrate by fluorescence spectrophotometry
50000729	2	ChEBML_1691778	Inhibition of recombinant human MAO-B using kynuramine as substrate by fluorescence spectrophotometry
50037460	3	ChEMBL_304779 (CHEMBL829473)	Inhibitory activity against macrophilin (FKBP-12)
50037461	1	ChEMBL_312581 (CHEMBL835247)	Inhibition of human lymph node carcinoma of prostate (LNCaP) cell proliferation
50037461	2	ChEMBL_306232 (CHEMBL874560)	Inhibition of human androgen receptor expressed in Escherichia coli
50037461	3	ChEMBL_305783 (CHEMBL827972)	Inhibition of CHO-K1 cells expressing glucocorticoid receptor
50037461	4	ChEMBL_306188 (CHEMBL830982)	Inhibition of AR-dimerization in CHO-K1 cells expressing human androgen receptor
50000729	3	ChEBML_1691784	Inhibition of Sprague-Dawley rat brain MAO-A using [14C]5-HT as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by scintillation spectrometry
50037462	1	ChEMBL_303480 (CHEMBL838854)	Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells
50037462	2	ChEMBL_303422 (CHEMBL840085)	Inhibition of [3H]DAMGO binding to human Mu opioid receptor expressed in CHO cells
50000730	1	ChEBML_1691785	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Ellman's method
50000730	5	ChEMBL_1691785 (CHEMBL4042434)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Ellman's method
50000730	2	ChEBML_1691786	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Ellman's method
50037463	1	ChEMBL_305137 (CHEMBL832432)	Inhibition of aldose reductase from pig lenses
50037463	2	ChEMBL_305579 (CHEMBL828027)	Inhibition of aldose reductase from pig lenses; no inhibition
50000730	3	ChEMBL_1691790 (CHEMBL4042439)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50000730	4	ChEMBL_1691791 (CHEMBL4042440)	Mixed-type inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50000730	6	ChEMBL_1691786 (CHEMBL4042435)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Ellman's method
50037465	1	ChEMBL_306091 (CHEMBL830866)	Inhibition of [3H]nisoxetine binding to norepinephrine transporter of rat cerebral cortex
50037465	2	ChEMBL_305643 (CHEMBL829502)	Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum
50037465	3	ChEMBL_305949 (CHEMBL832789)	Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral cortex
50000731	1	ChEBML_1691803	Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using rhodamine-EVNLDAEFK peptide as substrate measured after 60 mins by FRET assay
50000731	2	ChEMBL_1691803 (CHEMBL4042452)	Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using rhodamine-EVNLDAEFK peptide as substrate measured after 60 mins by FRET assay
50000731	3	ChEMBL_1691804 (CHEMBL4042453)	Inhibition of BACE1 in human H4 cells expressing human APP K595N/M596L double mutant assessed as decrease in amyloid beta 42 and amyloid beta 40 level after overnight incubation by ELISA method
50037466	2	ChEMBL_311702 (CHEMBL833216)	Inhibitory concentration against bovine brain tubulin polymerization
50000732	1	ChEBML_1691836	Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence assay
50037467	1	ChEMBL_303268 (CHEMBL828262)	Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes
50037467	2	ChEMBL_306423 (CHEMBL828094)	Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes
50037468	1	ChEMBL_302417 (CHEMBL828821)	Inhibitory activity against human Carbonic anhydrase II
50037468	2	ChEMBL_302403 (CHEMBL875202)	Inhibitory activity against human Carbonic anhydrase I
50000732	2	ChEBML_1691837	Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay
50000732	3	ChEBML_1691838	Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence assay
50000732	4	ChEBML_1691851	Inhibition of recombinant human HDAC3 using fluorogenic substrate by fluorescence assay
50000732	5	ChEBML_1691852	Inhibition of recombinant human HDAC4 using fluorogenic substrate by fluorescence assay
50000732	6	ChEBML_1691853	Inhibition of recombinant human HDAC5 using fluorogenic substrate by fluorescence assay
50000732	7	ChEBML_1691854	Inhibition of recombinant human HDAC7 using fluorogenic substrate by fluorescence assay
50000732	8	ChEBML_1691855	Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence assay
50037470	1	ChEMBL_303082 (CHEMBL830314)	Inhibition of recombinant human placental AdoHcy hydrolase
50037470	2	ChEMBL_302948 (CHEMBL841783)	Inhibition of recombinant Placental Adenosylhomocysteinase
50037471	1	ChEMBL_306072 (CHEMBL833027)	Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type A receptor of rat pancreas homogenates
50037471	2	ChEMBL_306313 (CHEMBL827706)	Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells
50000732	9	ChEBML_1691856	Inhibition of recombinant human HDAC9 using fluorogenic substrate by fluorescence assay
50037471	3	ChEMBL_306230 (CHEMBL831138)	Inhibition of [3H]-pCCK-8 binding to Cholecystokinin type B receptor of rat cerebral cortex homogenates
50037471	4	ChEMBL_310796 (CHEMBL835642)	Inhibition of (Thr,Nle)-CCK-9 -induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor
50037471	5	ChEMBL_312857 (CHEMBL874936)	Inhibition of (Thr,Nle)-CCK-9-induced inositol phosphate production in COS-7 cells expressing human CCK2 receptor
50037472	1	ChEMBL_304713 (CHEMBL827154)	Inhibitory concentration against cytochrome P450 2D6
50000732	10	ChEBML_1691857	Inhibition of recombinant human HDAC10 using fluorogenic substrate by fluorescence assay
50037472	2	ChEMBL_302344 (CHEMBL828928)	Binding affinity for cytochrome P450 2D6
50000732	11	ChEBML_1691858	Inhibition of recombinant human HDAC11 using fluorogenic substrate by fluorescence assay
50000733	10	ChEMBL_1691900 (CHEMBL4042549)	Binding affinity to human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cells assessed as GABA-induced membrane potential change preincubated for 3 mins followed by addition of GABA measured after 3 mins by FLIPR assay
50000733	6	ChEMBL_1691905 (CHEMBL4042554)	Binding affinity to human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cells assessed as GABA-induced membrane potential change preincubated for 3 mins followed by addition of GABA measured after 3 mins by FLIPR assay
50000733	7	ChEMBL_1691929 (CHEMBL4042578)	Modulation of recombinant human GABA alpha2beta3gamma2 receptor expressed in HEK293 cells assessed as change in GABA-induced current at -80 mV holding potential preincubated for 3 mins followed by co-administration of GABA by electrophysiology method
50000733	9	ChEMBL_1691931 (CHEMBL4042580)	Modulation of recombinant human GABA alpha1beta3gamma2 receptor expressed in HEK293 cells assessed as change in GABA-induced current at -80 mV holding potential preincubated for 3 mins followed by co-administration of GABA by electrophysiology method
50000733	8	ChEMBL_1691930 (CHEMBL4042579)	Modulation of recombinant human GABA alpha3beta3gamma2 receptor expressed in HEK293 cells assessed as change in GABA-induced current at -80 mV holding potential preincubated for 3 mins followed by co-administration of GABA by electrophysiology method
50000734	1	ChEBML_1691957	Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A light chain (425 amino acids) using SNAP-25 as substrate preincubated for 20 followed by substrate addition measured for 25 mins by FRET analysis
50000734	2	ChEMBL_1691958 (CHEMBL4042607)	Uncompetitive inhibition of recombinant Clostridium botulinum BoNT/A light chain (425 amino acids) using SNAP-25 as substrate preincubated for 20 followed by substrate addition measured for 25 mins by Lineweaver-Burk plot analysis
50000734	3	ChEMBL_1691957 (CHEMBL4042606)	Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A light chain (425 amino acids) using SNAP-25 as substrate preincubated for 20 followed by substrate addition measured for 25 mins by FRET analysis
50000736	6	ChEMBL_1691964 (CHEMBL4042613)	Agonist activity at GPR35 in human HT-29 cells by DMR assay
50000736	2	ChEMBL_1691965 (CHEMBL4042614)	Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell desensitization to 1 uM zaprinast preincubated for 1 hr followed by zaprinast stimulation measured after 8 minutes by DMR assay
50000736	3	ChEMBL_1691962 (CHEMBL4042611)	Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay
50000736	1	ChEBML_1691967	Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused GPR35 in human Tango GPR35-bla U2OS cells assessed as induction of TEV protease-tagged beta-arrestin recruitment incubated for 5 hrs by beta-lactamase reporter gene assay
50000736	4	ChEMBL_1691967 (CHEMBL4042616)	Agonist activity at TEV protease cleavage site linked GAL4-VP16-fused GPR35 in human Tango GPR35-bla U2OS cells assessed as induction of TEV protease-tagged beta-arrestin recruitment incubated for 5 hrs by beta-lactamase reporter gene assay
50037474	1	ChEMBL_306499 (CHEMBL828104)	Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cells
50037475	1	ChEMBL_306792 (CHEMBL832377)	Inhibition concentration required against human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioligand
50037475	14	ChEMBL_306701 (CHEMBL830858)	Inhibition concentration required against wild type strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radioligand
50037475	19	ChEMBL_306763 (CHEMBL832656)	Inhibition concentration required against human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioligand
50037475	3	ChEMBL_306764 (CHEMBL832657)	Inhibition concentration required against human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radioligand
50037475	26	ChEMBL_306766 (CHEMBL832659)	Inhibition concentration required against human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioligand
50000736	5	ChEMBL_1691963 (CHEMBL4042612)	Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay
50037475	27	ChEMBL_306767 (CHEMBL832660)	Inhibition concentration required against human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioligand
50037475	34	ChEMBL_306765 (CHEMBL832658)	Inhibition concentration required against human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]MRS2279 as radioligand
50037476	1	ChEMBL_306159 (CHEMBL832347)	Inhibition of Plasmodium falciparum cyclin-dependent kinase
50037477	1	ChEMBL_305174 (CHEMBL832763)	Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay
50037478	1	ChEMBL_303288 (CHEMBL828281)	Displacement of [3H]CGS-21680 binding to Adenosine A2 receptor expressed in CHO cells
50037478	2	ChEMBL_303329 (CHEMBL840054)	Displacement of [125I]AB-MECA binding to Adenosine A3 receptor expressed in CHO cells
50037478	3	ChEMBL_303191 (CHEMBL829685)	Displacement of [3H]CHA binding to Adenosine A1 receptor expressed in CHO cells
50037478	5	ChEMBL_312909 (CHEMBL826591)	Inhibition of (10 uM) forskolin-mediated cAMP production in CHO cells expressing human Adenosine A3 receptor
50037479	3	ChEMBL_303310 (CHEMBL840036)	In vitro inhibition of [3H]NT binding to porcine striatal Neurotensin receptor 1
50037479	1	ChEMBL_302170 (CHEMBL829237)	In vitro inhibition of [3H]-NT binding to human striatal Neurotensin receptor 1
50037480	1	ChEMBL_306675 (CHEMBL830009)	H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound
50037480	4	ChEMBL_306676 (CHEMBL830010)	H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined
50037480	5	ChEMBL_306677 (CHEMBL830011)	H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined
50037480	8	ChEMBL_306665 (CHEMBL831438)	H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound
50003326	1	ChEMBL_1691975 (CHEMBL4042624)	Inhibition of quorum sensing regulator protein RhlR in Pseudomonas aeruginosa PAO1 harboring reporter plasmid rhlA-gfp assessed as reduction in rhlA expression measured every 15 mins for 12 hrs by GFP-fluorescence assay
50000737	2	ChEMBL_1691994 (CHEMBL4042643)	Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR method
50000737	1	ChEMBL_1691991 (CHEMBL4042640)	Inhibition of EED in human G401 cells assessed as reduction in H3K27 methylation measured after 48 hrs by ELISA method
50000737	4	ChEMBL_1691990 (CHEMBL4042639)	Inhibition of human PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) using histone H3[21 to 44, K27MeO] as substrate and SAM as co-factor measured after 2 hrs by LC-MS/MS method
50000737	3	ChEBML_1691994	Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR method
50037481	1	ChEMBL_303717 (CHEMBL829052)	Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand
50037481	2	ChEMBL_303735 (CHEMBL829778)	Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand
50037481	3	ChEMBL_303689 (CHEMBL829734)	Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand
50037482	1	ChEMBL_305678 (CHEMBL828050)	Inhibitory concentration for human liver monoamine oxidase B
50037482	5	ChEMBL_305677 (CHEMBL828049)	Inhibitory concentration for human liver monoamine oxidase A
50037483	3	ChEMBL_302776 (CHEMBL838839)	Inhibition constant for human immunodeficiency virus type 1 protease
50037483	4	ChEMBL_302137 (CHEMBL841761)	Binding affinity for human immunodeficiency virus type 1 protease
50000738	1	ChEBML_1691999	Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease in calcium influx by Fluo-4-AM dye based FLIPR assay
50000738	2	ChEBML_1691998	Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay
50000738	3	ChEBML_1691996	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as area under current curve at holding potential of -90 mV by whole-cell voltage clamp electrophysiology method
50000739	1	ChEBML_1692049	Inhibition of human MMP10 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate by spectrophotometric analysis
50000739	2	ChEBML_1692048	Inhibition of human MMP13 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate by spectrophotometric analysis
50000740	1	ChEBML_1692054	Inhibition of Cathepsin D (unknown origin) by cell free assay
50037484	2	ChEMBL_306794 (CHEMBL832379)	Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT2) receptor
50037484	4	ChEMBL_303611 (CHEMBL829700)	Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT2) receptor
50000740	2	ChEMBL_1692055 (CHEMBL4042704)	Inhibition of BACE1 in human H4 cells expressing wild type APP695 assessed as reduction in soluble APPbeta level after 18 hrs by ELISA
50000740	7	ChEMBL_1692061 (CHEMBL4042710)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 5 mins by patch clamp assay
50000740	8	ChEMBL_1692052 (CHEMBL4042701)	Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
50037485	2	ChEMBL_303706 (CHEMBL829041)	Displacement of [125I]-Ang II from pig uterus myometrium angiotensin II type 2 (AT2) receptor
50037486	1	ChEMBL_312894 (CHEMBL827414)	In vitro antagonism of N-type calcium channels expressed in PC12 cells was determined as the increase in intracellular calcium influx
50037486	2	ChEMBL_313070 (CHEMBL835875)	In vitro antagonism of N-type calcium channels expressed in PC12 cells was determined as the increase in intracellular calcium influx in the presence of 10 uM nifedipine
50037487	1	ChEMBL_305077 (CHEMBL832708)	Inhibitory concentration against hepatitis C virus helicase
50037487	2	ChEMBL_305214 (CHEMBL832467)	Inhibitory concentration against hepatitis C virus NS3 protease
50037487	3	ChEMBL_302596 (CHEMBL838564)	Inhibitory constant against hepatitis C virus NS3 protease
50037487	4	ChEMBL_305160 (CHEMBL832751)	Inhibitory concentration against hepatitis C virus polymerase
50037487	5	ChEMBL_306303 (CHEMBL828595)	Inhibitory concentration against hepatitis C virus NS4A binding region of NS3 protease
50037487	6	ChEMBL_305030 (CHEMBL831669)	Inhibitory concentration against hepatitis C NS4A protease
50037487	7	ChEMBL_305265 (CHEMBL832815)	Inhibitory concentration against hepatitis C virus NS2/3 protease
50037487	8	ChEMBL_305539 (CHEMBL828559)	Inhibitory concentration against hepatitis C virus helicase; range 0.6-0.7
50037487	9	ChEMBL_305334 (CHEMBL833555)	Inhibitory concentration against hepatitis C virus NS4A active site
50037488	1	ChEMBL_305741 (CHEMBL829413)	Inhibitory concentration against human cytochrome P-450 2C9
50037488	2	ChEMBL_305743 (CHEMBL829415)	Inhibitory concentration value against human cytochrome P-450 2E1
50037488	4	ChEMBL_305742 (CHEMBL829414)	Inhibitory concentration value against human cytochrome P-450 2D6
50037488	5	ChEMBL_305740 (CHEMBL829412)	Inhibitory concentration value against human cytochrome P-450 2B6
50037488	6	ChEMBL_305767 (CHEMBL827104)	Inhibitory concentration value against human cytochrome P-450 2C19
50037488	7	ChEMBL_305744 (CHEMBL829416)	Inhibitory concentration value against human cytochrome P-450 3A4
50000740	3	ChEBML_1692052	Inhibition of BACE1 (unknown origin) using biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
50000740	5	ChEBML_1692060	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
50000740	6	ChEBML_1692053	Inhibition of BACE2 (unknown origin) by cell free assay
50000741	5	ChEMBL_1692243 (CHEMBL4042892)	Binding affinity to recombinant human glucocorticoid receptor expressed in baculovirus infected sf9 cells
50000741	1	ChEBML_1692239	Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene assay
50000741	2	ChEBML_1692246	Binding affinity to recombinant human androgen receptor expressed in baculovirus infected sf9 cells
50000741	3	ChEBML_1692245	Binding affinity to recombinant human mineralocorticoid receptor expressed in baculovirus infected sf9 cells
50037489	1	ChEMBL_305373 (CHEMBL832888)	Inhibition of Acetylcholinesterase
50037489	2	ChEMBL_305392 (CHEMBL877000)	Inhibition of Butyrylcholinesterase
50037489	3	ChEMBL_302891 (CHEMBL830207)	Competitive inhibition constant for Acetylcholinesterase
50037489	4	ChEMBL_312090 (CHEMBL834001)	Inhibitory concentration against amyloid-beta aggregation
50037490	1	ChEMBL_303379 (CHEMBL839696)	Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT
50037490	2	ChEMBL_303199 (CHEMBL829825)	Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine
50037490	3	ChEMBL_303180 (CHEMBL829674)	Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone
50037490	4	ChEMBL_303294 (CHEMBL827427)	Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine
50037490	5	ChEMBL_302694 (CHEMBL839567)	Inhibitory constant against Dopamine receptor D2
50037491	1	ChEMBL_305250 (CHEMBL833507)	Inhibitory concentration for human complement component C3 activation
50037492	1	ChEMBL_303651 (CHEMBL828999)	Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes
50037493	1	ChEMBL_303685 (CHEMBL828754)	In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor
50037493	2	ChEMBL_303656 (CHEMBL829004)	In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor
50000741	4	ChEBML_1692244	Binding affinity to recombinant human progesterone receptor expressed in baculovirus infected sf9 cells
50037494	2	ChEMBL_302406 (CHEMBL828811)	Inhibitory activity against phosphodiesterase 10
50037494	4	ChEMBL_305088 (CHEMBL832393)	Inhibitory concentration value against phosphodiesterase 10
50037494	5	ChEMBL_302387 (CHEMBL830354)	Inhibition of human phosphodiesterase 2
50037494	13	ChEMBL_304858 (CHEMBL877324)	Inhibitory concentration against phosphodiesterase-11
50000741	6	ChEMBL_1692241 (CHEMBL4042890)	Transrepression activity at glucocorticoid receptor in human THP1 cells assessed as receptor-mediated anti-inflammatory activity by measuring inhibition of LPS-induced IL-8 production
50037494	17	ChEMBL_302484 (CHEMBL827175)	Inhibition of human phosphodiesterase 9
50000741	8	ChEMBL_1692237 (CHEMBL4042886)	Transrepression activity at glucocorticoid receptorin human HeLa cells assessed as inhibition of TPA-induced collagenase promoter activity by luciferase reporter gene assay
50037494	20	ChEMBL_302509 (CHEMBL828224)	Inhibition of human phosphodiesterase 11
50037494	21	ChEMBL_302509 (CHEMBL828224)	Inhibition of human phosphodiesterase 11
50000741	7	ChEMBL_1692239 (CHEMBL4042888)	Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene assay
50037494	23	ChEMBL_302387 (CHEMBL830354)	Inhibition of human phosphodiesterase 2
50037495	1	ChEMBL_304774 (CHEMBL828540)	Binding affinity for human Estrogen receptor beta
50037495	2	ChEMBL_304789 (CHEMBL827788)	Binding affinity for human Estrogen receptor Alpha
50037496	1	ChEMBL_306666 (CHEMBL831439)	In vitro inhibition of 8-OH-DPAT-induced [35S]GTP-gamma-S, binding to 5-HT1A receptor/G protein complex in CHO cells
50037496	2	ChEMBL_303671 (CHEMBL830432)	Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells
50037496	3	ChEMBL_304366 (CHEMBL829008)	In vitro inhibition of 8-OH-DPAT-induced [35S]GTP-gamma-S, binding to 5-HT1A receptor/G protein complex in CHO cells
50037497	1	ChEMBL_303631 (CHEMBL828841)	Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax
50037497	2	ChEMBL_303684 (CHEMBL828753)	Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells
50037498	1	ChEMBL_303681 (CHEMBL830441)	Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane
50037498	2	ChEMBL_304907 (CHEMBL829385)	Inhibitory concentration against butyrylcholinesterase
50037498	3	ChEMBL_305079 (CHEMBL832710)	Inhibitory concentration against human acetylcholinesterase
50037498	4	ChEMBL_304906 (CHEMBL829384)	Inhibitory concentration against butyrylcholinesterase
50037498	5	ChEMBL_305078 (CHEMBL832709)	Inhibitory concentration against human acetylcholinesterase
50037499	1	ChEMBL_304697 (CHEMBL827049)	Inhibitory concentration against human Coagulation factor X
50037499	2	ChEMBL_304926 (CHEMBL877331)	Inhibitory concentration against human Coagulation factor II (thrombin)
50037499	3	ChEMBL_302538 (CHEMBL827390)	Inhibitory concentration against human Coagulation factor II (thrombin)
50037499	4	ChEMBL_302282 (CHEMBL830300)	Inhibitory concentration against human Trypsin
50037499	5	ChEMBL_302340 (CHEMBL828924)	Inhibitory concentration against human Coagulation factor X
50037499	6	ChEMBL_302281 (CHEMBL830299)	Inhibitory concentration against human Plasmin
50037501	1	ChEMBL_303041 (CHEMBL828011)	Inhibition of [3H]YM-09151-2 binding to human Dopamine D3 receptor expressed in CHO cells
50037501	2	ChEMBL_312900 (CHEMBL827420)	Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor
50037501	3	ChEMBL_303042 (CHEMBL828012)	Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells
50037501	4	ChEMBL_302429 (CHEMBL829665)	Inhibition of rat Dopamine D3 receptor expressed in HEK 293 cells
50037501	5	ChEMBL_311973 (CHEMBL834390)	Mitogenic stimulation in CHO cells expressing human Dopamine receptor D3
50037501	6	ChEMBL_303014 (CHEMBL830253)	Inhibition of [3H]spiperone binding to human Dopamine D4 receptor expressed in Sf9 cells
50037501	7	ChEMBL_303064 (CHEMBL828890)	Inhibition of [3H]YM-09151-2 binding to human Dopamine D2L receptor expressed in CHO cells
50037501	8	ChEMBL_303012 (CHEMBL830251)	Inhibition of [3H]spiperone binding to human Dopamine D3 receptor expressed in CHO cells
50037501	9	ChEMBL_312899 (CHEMBL827419)	Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D2 receptor
50037501	11	ChEMBL_303137 (CHEMBL829065)	Inhibition of [125I]iodosulpiride binding to human Dopamine D2 receptor expressed in CHO cells
50037501	12	ChEMBL_303043 (CHEMBL828013)	Inhibition of [3H]YM-09151-2 binding to human Dopamine D4 receptor expressed in CHO cells
50037501	13	ChEMBL_303065 (CHEMBL828891)	Inhibition of [125I]IABN binding to human Dopamine D2L receptor expressed in HEK 293 cells
50037501	14	ChEMBL_303116 (CHEMBL829625)	Inhibition of [3H]YM-09151-2 binding to primate Dopamine D2L receptor expressed in CHO cells
50037501	15	ChEMBL_303038 (CHEMBL876373)	Inhibition of [3H]YM-09151-2 binding to human Dopamine D2 receptor expressed in CHO cells
50037501	10	ChEMBL_303000 (CHEMBL830239)	Inhibition of [125I]IABN binding to rat Dopamine D3 receptor expressed in HEK 293 cells
50037501	17	ChEMBL_303044 (CHEMBL828014)	Inhibition of [125I]IABN binding to human Dopamine D4 receptor expressed in HEK 293 cells
50037501	18	ChEMBL_303040 (CHEMBL828010)	Inhibition of [3H]spiperone binding to human Dopamine D2L receptor expressed in Sf9 cells
50037501	19	ChEMBL_303138 (CHEMBL829066)	Inhibition of [125I]iodosulpiride binding to human Dopamine D3 receptor expressed in CHO cells
50037501	20	ChEMBL_303066 (CHEMBL828892)	Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells
50037501	21	ChEMBL_303015 (CHEMBL830254)	Inhibition of [125I]IABN binding to rat Dopamine D2L receptor expressed in HEK 293 cells
50037501	23	ChEMBL_303013 (CHEMBL830252)	Inhibition of [3H]spiperone binding to human Dopamine D4 receptor expressed in CHO cells
50037501	24	ChEMBL_312839 (CHEMBL825050)	Antagonist activity against 100 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor
50037501	25	ChEMBL_310190 (CHEMBL837717)	Mitogenic stimulation in NG 108-15 cells expressing human D3 receptor
50037501	26	ChEMBL_302981 (CHEMBL827960)	Inhibition of [3H]spiperone binding to rat Dopamine D3 receptor expressed in Sf9 cells
50037501	27	ChEMBL_303096 (CHEMBL829607)	Inhibition of [125I]iodosulpiride binding to rat Dopamine D2 receptor expressed in CHO cells
50037501	28	ChEMBL_303097 (CHEMBL829608)	Inhibition of [125I]-iodosulpiride binding to rat Dopamine D3 receptor expressed in CHO cells
50037501	29	ChEMBL_311949 (CHEMBL834316)	Partial agonist intrinsic activity at dopamine D3 receptor
50037501	30	ChEMBL_303039 (CHEMBL828866)	Inhibition of [3H]spiperone binding to human Dopamine D2L receptor expressed in CHO cells
50037501	31	ChEMBL_303154 (CHEMBL876379)	Inhibition of [125I]iodosulpiride binding to human Dopamine D2L receptor expressed in CHO cells
50037503	3	ChEMBL_304389 (CHEMBL830039)	Effective concentration for [35S]GTP-gamma-S, binding in CHO-K1 cells expressing human dopamine D4 receptor
50037503	4	ChEMBL_304365 (CHEMBL829007)	Effective concentration from [3H]thymidine uptake assay in CHO10001 cells expressing human Dopamine receptor D4.2
50037503	2	ChEMBL_303714 (CHEMBL829049)	Inhibition of [3H]spiperone binding to human dopamine receptor D4.4 expressed in Chinese hamster ovary cells
50037503	7	ChEMBL_303271 (CHEMBL828265)	Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 of porcine striatal membranes
50037503	8	ChEMBL_302916 (CHEMBL830376)	Inhibition of [3H]spiperone binding to human dopamine receptor D2 short
50037503	9	ChEMBL_302935 (CHEMBL830393)	Binding affinity towards porcine serotonin receptor 5-HT1A using [3H]8-OH-DPAT
50037503	10	ChEMBL_303726 (CHEMBL829061)	Inhibition of [3H]spiperone binding to human dopamine receptor D2 long expressed in Chinese hamster ovary cells
50037503	11	ChEMBL_303702 (CHEMBL829037)	Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells
50037503	12	ChEMBL_304319 (CHEMBL829291)	Effective concentration in [3H]thymidine uptake assay by CHO dhfr- mutant cells expressing human D3 receptor
50037503	6	ChEMBL_303731 (CHEMBL829637)	Inhibition of [3H]spiperone binding to human dopamine receptor D2 short expressed in Chinese hamster ovary cells
50000742	1	ChEMBL_1692279 (CHEMBL4042928)	Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4 hrs prior to vancomycin addition measured after 20 hrs
50037504	1	ChEMBL_302929 (CHEMBL830388)	Apparent inhibitory constant against beta-lactamase AmpC from Escherichia coli
50037504	3	ChEMBL_302218 (CHEMBL826991)	Dissociation constant against T4 lysozyme mutant L99A/M102Q
50037504	4	ChEMBL_302929 (CHEMBL830388)	Apparent inhibitory constant against beta-lactamase AmpC from Escherichia coli
50037504	5	ChEMBL_302213 (CHEMBL826986)	Dissociation constant against T4 lysozyme mutant L99A
50037506	1	ChEMBL_305428 (CHEMBL830921)	Inhibitory concentration against recombinant human cytochrome P450 1A2
50037507	1	ChEMBL_306269 (CHEMBL827547)	Inhibition of [3H]paroxetine binding to rat cortex serotonin transporter 
50037507	2	ChEMBL_303285 (CHEMBL828278)	Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex
50037507	3	ChEMBL_303548 (CHEMBL839753)	Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex
50037507	4	ChEMBL_306032 (CHEMBL829958)	Inhibition of [3H]WIN-35428 binding to rat striatal dopamine transporter
50037507	5	ChEMBL_306351 (CHEMBL828170)	Inhibition of [3H]nisoxetine binding to rat cerebral cortex norepinephrine transporter
50000742	2	ChEBML_1692280	Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated with vancomycin for 24 hrs
50000742	3	ChEMBL_1692280 (CHEMBL4042929)	Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated with vancomycin for 24 hrs
50037508	1	ChEMBL_305565 (CHEMBL828584)	Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103R)
50037508	2	ChEMBL_305566 (CHEMBL827160)	Inhibitory concentration against HIV-1 mutant reverse transcriptase (Y181C)
50037508	3	ChEMBL_305627 (CHEMBL828660)	Inhibitory concentration against HIV-1 wild type reverse transcriptase (IIIB)
50037508	4	ChEMBL_305759 (CHEMBL827097)	Inhibitory concentration against HIV-1 mutant reverse transcriptase (K103N+Y181C)
50037508	5	ChEMBL_305327 (CHEMBL833548)	Inhibitory concentration against HIV-1 virion reverse transcriptase
50037509	1	ChEMBL_303241 (CHEMBL827206)	Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium
50037510	1	ChEMBL_302670 (CHEMBL839014)	Inhibition of human somatostatin receptor type 2
50037510	2	ChEMBL_302671 (CHEMBL839434)	Inhibition of human somatostatin receptor type 4
50037510	3	ChEMBL_302778 (CHEMBL876357)	Inhibition of human somatostatin receptor type 4 (n=5)
50037510	4	ChEMBL_302777 (CHEMBL838840)	Inhibition of human somatostatin receptor type 2 (n=6)
50037511	1	ChEMBL_305173 (CHEMBL832762)	Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C
50037512	1	ChEMBL_303632 (CHEMBL828842)	Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells
50037513	1	ChEMBL_304235 (CHEMBL829774)	Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) enzyme
50037513	2	ChEMBL_310375 (CHEMBL834370)	Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%
50037513	3	ChEMBL_304234 (CHEMBL829773)	Concentration required to inhibit HIV-1 reverse transcriptase activity (wild-type) by 50%
50037513	4	ChEMBL_310383 (CHEMBL833564)	Concentration required to inhibit HIV-1 reverse transcriptase activity of wild-type enzyme
50037514	1	ChEMBL_302952 (CHEMBL841787)	Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells
50037515	1	ChEMBL_305368 (CHEMBL832884)	Inhibition of protein kinase ROCK2; Range is 5-10
50037515	2	ChEMBL_304976 (CHEMBL829309)	Inhibition of rat c-Jun N-terminal kinase 3
50037515	3	ChEMBL_304908 (CHEMBL827802)	Inhibition of c-SRC tyrosine kinase
50037515	4	ChEMBL_305025 (CHEMBL829459)	Inhibitory concentration against c-Jun N-Terminal kinase 2
50037515	5	ChEMBL_304627 (CHEMBL828512)	Inhibitory concentration against PDK 1
50037515	6	ChEMBL_304835 (CHEMBL827923)	Inhibition of SGK; Range is 5-10
50037515	7	ChEMBL_304666 (CHEMBL877307)	Inhibition of MAP kinase p38 alpha
50037515	9	ChEMBL_304601 (CHEMBL828489)	Inhibition of AKT kinase
50037515	10	ChEMBL_305117 (CHEMBL831585)	Inhibition of MSK-1 kinase; Range is 5-10
50037515	12	ChEMBL_305024 (CHEMBL829458)	Inhibition of c-Jun N-Terminal kinase 1
50037515	13	ChEMBL_305823 (CHEMBL829565)	Inhibition of RAF proto-oncogene serine/threonine protein kinase
50037515	14	ChEMBL_305384 (CHEMBL832898)	Inhibition of Ribosomal S6 kinase 2; Range is 5-10
50037515	16	ChEMBL_305263 (CHEMBL832813)	Inhibition of epidermal growth factor receptor
50037515	17	ChEMBL_305789 (CHEMBL827977)	Inhibition of Mitogen activated protein kinase 6; Range is 5-10
50037515	19	ChEMBL_304859 (CHEMBL828417)	Inhibition of protein kinase PRAK
50000743	1	ChEMBL_1692346 (CHEMBL4042995)	Inhibition of recombinant human GST-tagged DDR1 catalytic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate measured after 1 hr by TR-FRET assay
50037515	21	ChEMBL_304611 (CHEMBL828498)	Inhibition of IKKB kinase
50037515	22	ChEMBL_304610 (CHEMBL828497)	Inhibition of ERK1 kinase
50037515	23	ChEMBL_305540 (CHEMBL828560)	Inhibition of mitogen activated protein kinase kinase 1 (MEK1)
50037515	24	ChEMBL_305026 (CHEMBL831666)	Inhibition of c-Jun N-Terminal kinase 3
50037515	25	ChEMBL_305687 (CHEMBL828059)	Inhibition of mitogen activated protein kinase kinase 7 beta
50037515	27	ChEMBL_305537 (CHEMBL828557)	Inhibition of Mitogen activated protein kinase kinase 4
50037515	28	ChEMBL_304832 (CHEMBL827920)	Inhibition of BLK; Range is 5-10
50037515	29	ChEMBL_305458 (CHEMBL877004)	Inhibition of MAP kinase-activated protein kinase 2
50037516	1	ChEMBL_302838 (CHEMBL827883)	Inhibition of human MTAP as initial dissociation constant
50037516	2	ChEMBL_303908 (CHEMBL828333)	Inhibition of human MTAP as equilibrium dissociation constant
50037517	1	ChEMBL_305504 (CHEMBL831106)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7
50037517	3	ChEMBL_304329 (CHEMBL839756)	Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2 expressed in xenopus oocytes
50037517	4	ChEMBL_305955 (CHEMBL874549)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha-7 Range is 3-5 nM
50037517	5	ChEMBL_305725 (CHEMBL829397)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4
50037517	6	ChEMBL_306297 (CHEMBL828589)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4; Range is 0.3-1.5 nM
50037517	8	ChEMBL_304195 (CHEMBL830024)	Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4
50037517	10	ChEMBL_305726 (CHEMBL829398)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2
50037517	11	ChEMBL_306276 (CHEMBL827553)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.3-1.5 nM
50037517	13	ChEMBL_306126 (CHEMBL833065)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.3-1.5 nM
50037517	15	ChEMBL_304167 (CHEMBL830005)	Effective concentration against Nicotinic acetylcholine receptor alpha 7
50037517	16	ChEMBL_306101 (CHEMBL830876)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 100-200 nM
50037517	17	ChEMBL_306526 (CHEMBL827277)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 expressed in xenopus oocytes
50037517	18	ChEMBL_306275 (CHEMBL827552)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4; Range is 0.3-1.5 nM
50000743	6	ChEMBL_1692348 (CHEMBL4042997)	Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 as substrate measured after 1 hr by FRET-based Z'-Lyte assay
50037517	19	ChEMBL_304196 (CHEMBL830025)	Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2
50037517	21	ChEMBL_305724 (CHEMBL829396)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta2
50000743	3	ChEBML_1692349	Inhibition of recombinant human His-tagged c-kit cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system using Ser/Thr 6 as substrate measured after 1 hr by FRET-based Z'-Lyte assay
50037517	23	ChEMBL_306078 (CHEMBL833032)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.5-8 nM
50037517	24	ChEMBL_304259 (CHEMBL829730)	Effective concentration against Nicotinic acetylcholine receptor alpha 7 in rat mid brain slices
50037517	25	ChEMBL_304305 (CHEMBL830100)	Effective concentration against Nicotinic acetylcholine receptor alpha 7 expressed in xenopus oocytes
50037517	26	ChEMBL_306274 (CHEMBL827551)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta2; Range is 0.3-1.5 nM
50037517	31	ChEMBL_306102 (CHEMBL830877)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha9; Range is 100-200 nM
50037517	32	ChEMBL_306172 (CHEMBL830967)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 3-5 nM
50000743	4	ChEBML_1692347	Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate measured after 1 hr by TR-FRET assay
50037517	33	ChEMBL_306215 (CHEMBL831124)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.5-8 nM
50037517	35	ChEMBL_305538 (CHEMBL828558)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7
50037517	36	ChEMBL_306494 (CHEMBL827997)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-3-beta-2-beta-3; Range is 0.7-1 nM
50037517	38	ChEMBL_306143 (CHEMBL831378)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha7; Range is 0.3-1.5 nM
50037518	1	ChEMBL_303441 (CHEMBL839610)	Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand
50037518	2	ChEMBL_303691 (CHEMBL829736)	Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand
50037518	3	ChEMBL_303390 (CHEMBL839961)	Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand
50037519	1	ChEMBL_306908 (CHEMBL828351)	In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 degree C for 60 min
50037520	1	ChEMBL_303807 (CHEMBL829028)	Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5)
50037520	2	ChEMBL_302540 (CHEMBL827391)	Inhibitory constant against human glutathione reductase
50037520	3	ChEMBL_303817 (CHEMBL827076)	Competitive inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5)
50037521	1	ChEMBL_305515 (CHEMBL831116)	Antagonism of GnRH response in HEK293 cells expressing human GnRH receptor
50037523	1	ChEMBL_303164 (CHEMBL829976)	Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes
50037523	2	ChEMBL_303183 (CHEMBL829677)	Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranes
50037523	3	ChEMBL_303445 (CHEMBL839705)	Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes
50037523	4	ChEMBL_303242 (CHEMBL827207)	Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranes
50037523	5	ChEMBL_303225 (CHEMBL827190)	Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes
50037523	6	ChEMBL_303454 (CHEMBL839714)	Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes
50037524	1	ChEBML_306356	Irreversible inhibition of fatty acid amide hydrolase; range=. 5-6 nM
50037524	2	ChEMBL_302526 (CHEMBL827379)	Binding affinity for human cannabinoid receptor 1
50037524	3	ChEBML_302977	Inhibition of [3H]CP-55940 binding to rat cannabinoid receptor 1
50037524	4	ChEBML_305850	Inhibitory concentration against N-palmitoylethanolamine acid amidase
50037524	6	ChEMBL_302502 (CHEMBL828218)	Binding affinity for fatty acid amide hydrolase
50037524	7	ChEBML_302588	Binding affinity for rat fatty acid amide hydrolase
50037524	8	ChEMBL_305965 (CHEMBL832951)	Irreversible inhibition of fatty acid amide hydrolase
50037524	9	ChEMBL_302977 (CHEMBL827956)	Inhibition of [3H]CP-55940 binding to rat cannabinoid receptor 1
50037524	10	ChEBML_305455	Inhibitory concentration against monoacylglycerol lipase
50037524	11	ChEMBL_306336 (CHEMBL828156)	Irreversible inhibition of fatty acid amide hydrolase; range=1-3 nM
50037524	13	ChEMBL_302677 (CHEMBL839440)	Apparent binding affinity for fatty acid amide hydrolase
50037524	14	ChEMBL_306038 (CHEMBL832995)	Inhibition of fatty acid amide hydrolase; range = 22-68 uM
50037524	15	ChEBML_303172	Inhibition of [3H]CP-55940 binding to human cannabinoid receptor 1
50037524	16	ChEMBL_306124 (CHEMBL833063)	Inhibition of fatty acid amide hydrolase; range = 4.1-7 uM
50037524	17	ChEBML_303173	Inhibition of [3H]CP-55940 binding to human cannabinoid receptor 2
50037524	18	ChEBML_305903	Inhibition of [3H]CP-55940 binding to mouse Cannabinoid receptor 1
50037524	19	ChEMBL_305771 (CHEMBL827961)	Inhibition of fatty acid amide hydrolase; range =. 23-3 uM
50037524	20	ChEMBL_306356 (CHEMBL828175)	Irreversible inhibition of fatty acid amide hydrolase; range=. 5-6 nM
50037524	21	ChEMBL_302626 (CHEMBL839918)	Binding affinity for human fatty acid amide hydrolase
50037525	1	ChEMBL_302686 (CHEMBL839448)	Binding constant towards Human neutrophil elastase HNE protease
50037525	2	ChEMBL_303773 (CHEMBL830130)	Ability to inhibit the hydrolysis of chromogenic 4-chlorophenylbutyric acid ester from the peptide fragment Ac- DTEDVVP(Nva)-O-4-PAP in a HCV protease continuous assay 
50037525	3	ChEMBL_303746 (CHEMBL829789)	Ability to inhibit the hydrolysis of chromogenic 4-phenylazophenyl ester from the peptide fragment Ac- DTEDVVP(Nva)-O-4-PAP in a HCV protease continuous assay 
50037526	1	ChEMBL_304269 (CHEMBL829870)	Antagonist activity against adenosine A1 receptor
50037527	1	ChEMBL_302877 (CHEMBL828791)	Inhibitory constant against bovine spleen Adenosine deaminase
50037528	1	ChEMBL_306489 (CHEMBL828612)	Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK293 cells at 37 degree C pH7.4 
50037529	1	ChEMBL_303472 (CHEMBL838847)	Inhibition of [3H]LY-341,495 binding to recombinant human mGlu2 receptors
50037529	2	ChEMBL_303176 (CHEMBL829670)	Inhibition of [3H]LY-341,495 binding to mGlu2 receptors of rat brain
50037529	3	ChEMBL_303473 (CHEMBL838848)	Inhibition of [3H]LY-341,495 binding to recombinant human mGlu3 receptors
50037530	2	ChEMBL_305870 (CHEMBL831914)	Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4
50037530	5	ChEMBL_305811 (CHEMBL829464)	Inhibition of human dihydrofolate reductase at 37 degree C pH 7.4
50037530	6	ChEMBL_305845 (CHEMBL829586)	Inhibition of Lactobacillus casei thymidylate synthetase at 37 degree C pH 7.4
50037530	7	ChEMBL_303003 (CHEMBL830242)	Inhibition of human thymidylate synthetase at 37 degree C pH 7.4
50037531	2	ChEMBL_304252 (CHEMBL829723)	Activation of human farnesoid X receptor in FRET assay
50037531	3	ChEMBL_304408 (CHEMBL831813)	Effective concentration for recruitment of SRC-1 LxxLL-containing peptide to human Farnesoid X receptor
50037531	1	ChEMBL_304162 (CHEMBL830000)	Activation of human farnesoid X receptor
50037531	4	ChEMBL_304228 (CHEMBL828943)	Activation of human farnesoid X receptor; range is 10-30
50037532	1	ChEMBL_306035 (CHEMBL832855)	Inhibition of [3H]Glu binding to rat N-methyl-D-aspartic acid receptor 2A
50037532	2	ChEMBL_306034 (CHEMBL829960)	Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A
50037533	1	ChEMBL_303782 (CHEMBL830139)	Inhibition of 3 nM [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 of rat brain membranes
50037533	2	ChEMBL_303818 (CHEMBL827077)	Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) of rat vesicle membranes 
50037534	1	ChEMBL_312893 (CHEMBL827413)	Inhibition of 5-HT stimulated cAMP production in HeLa cells expressing human 5-hydroxytryptamine 6 receptor
50037534	2	ChEMBL_303711 (CHEMBL829046)	Inhibition of [3H]8-OH-DPAT binding to human 5-hydroxytryptamine 1F receptor expressed in CHO cells
50037534	3	ChEMBL_303674 (CHEMBL830434)	Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells
50037534	4	ChEMBL_303680 (CHEMBL830440)	Inhibition of [125I]DOI binding to human 5-hydroxytryptamine 2A receptor expressed in CHO cells
50037534	5	ChEMBL_310551 (CHEMBL834452)	Effective agonist concentration in cAMP release assay in HeLa cells expressing human 5-hydroxytryptamine 6 receptor
50037534	6	ChEMBL_303673 (CHEMBL877457)	Inhibition of [3H]5-HT binding to human 5-hydroxytryptamine 2C receptor expressed in CHO cells
50037534	7	ChEMBL_303627 (CHEMBL828838)	Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in CHO-K1 cells
50037534	8	ChEMBL_303708 (CHEMBL829043)	Inhibition of [3H]8-OH-DPAT binding to human 5-hydroxytryptamine 1A receptor expressed in CHO cells
50037534	9	ChEMBL_303628 (CHEMBL828839)	Inhibition of [3H]spiperone binding to human dopamine receptor D4 expressed in CHO-K1 cells
50037534	10	ChEMBL_303709 (CHEMBL829044)	Inhibition of [3H]-8-OH-DPAT binding to human 5-hydroxytryptamine 1B receptor expressed in CHO cells
50037534	11	ChEMBL_303650 (CHEMBL828998)	Inhibition of [3H]-LSD binding to 5-hydroxytryptamine 7 receptor expressed in CHO cells
50037534	12	ChEMBL_303626 (CHEMBL828837)	Inhibition of [3H]spiperone binding to human dopamine receptor D2 expressed in CHO-K1 cells
50037534	13	ChEMBL_303710 (CHEMBL829045)	Inhibition of [3H]-8-OH-DPAT binding to human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50037535	1	ChEMBL_305483 (CHEMBL830274)	Inhibitory concentration against thymidine phosphorylase of Escherichia coli
50037535	2	ChEMBL_305155 (CHEMBL832607)	Inhibitory concentration against human thymidine phosphorylase
50037535	3	ChEMBL_305633 (CHEMBL828666)	Inhibitory concentration against human thymidine phosphorylase
50037535	4	ChEMBL_302839 (CHEMBL827884)	Inhibitory activity against Escherichia coli thymidine phosphorylase
50037535	5	ChEMBL_305466 (CHEMBL831076)	Inhibitory concentration against horse liver thymidine phosphorylase of horse liver
50037535	6	ChEMBL_302455 (CHEMBL827151)	Inhibitory activity against thymidine phosphorylase
50037536	2	ChEMBL_305268 (CHEMBL832818)	Inhibitory concentration against mouse cytochrome P450 2A5
50000743	7	ChEMBL_1692353 (CHEMBL4043002)	Binding affinity to human DNA-tagged DDR1 expressed in bacterial expression system measured after 1 hr by quantitative PCR analysis
50000744	1	ChEBML_1692383	Inhibition of recombinant full length GST-tagged human PIM2 expressed in baculovirus expression system by Z'-Lyte assay
50000744	2	ChEBML_1692380	Inhibition of GST-tagged human DDR1 catalytic domain (440 to 876 residues) expressed in baculovirus expression system by LanthaScreen assay
50000744	3	ChEBML_1692381	Inhibition of GST-tagged human DDR2 cytoplasmic domain (427 to 855 residues) expressed in baculovirus expression system by LanthaScreen assay
50000744	4	ChEBML_1692382	Inhibition of recombinant full length His-tagged human PIM1 expressed in baculovirus expression system by Z'-Lyte assay
50000744	5	ChEBML_1692384	Inhibition of recombinant full length His-tagged human BMX cytoplasmic domain expressed in baculovirus expression system by Z'-Lyte assay
50000744	6	ChEBML_1692385	Inhibition of recombinant full length His-tagged human BTK cytoplasmic domain expressed in baculovirus expression system by Z'-Lyte assay
50000745	1	ChEMBL_1692423 (CHEMBL4043313)	Allosteric inhibition of full length human plasmin by using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition by spectrophotometric method
50000745	2	ChEMBL_1692438 (CHEMBL4043328)	Binding affinity to human plasmin assessed as loss of intrinsic tryptophan fluorescence at 250 uM by spectrofluorometric method
50000745	15	ChEMBL_1692459 (CHEMBL4043349)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 250 uM unfractionated heparin and 100 mM NaCl by spectrophotometric method
50000745	13	ChEMBL_1692457 (CHEMBL4043347)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 100 mM NaCl by spectrophotometric method
50000745	14	ChEMBL_1692458 (CHEMBL4043348)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 50 uM unfractionated heparin and 100 mM NaCl by spectrophotometric method
50037537	1	ChEMBL_305089 (CHEMBL832394)	Inhibitory concentration against Neprilysin
50037537	2	ChEMBL_305916 (CHEMBL832631)	Inhibitory concentration against human angiotensin I converting enzyme
50037537	3	ChEMBL_305832 (CHEMBL829574)	Inhibitory concentration against human ECE-1 expressed in MDCK cells
50037537	4	ChEMBL_305037 (CHEMBL877471)	Inhibitory concentration against Neprilysin
50037537	5	ChEMBL_305797 (CHEMBL827985)	Inhibitory concentration against human ECE-1 by RIA
50037538	1	ChEMBL_306612 (CHEMBL829072)	Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin receptor type 3
50037538	2	ChEMBL_306610 (CHEMBL829070)	Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin receptor type 2
50037538	3	ChEMBL_306608 (CHEMBL829908)	Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin receptor type 1
50037538	4	ChEMBL_306616 (CHEMBL829076)	Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin receptor type 5
50037538	5	ChEMBL_306614 (CHEMBL829074)	Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin receptor type 4
50000745	5	ChEBML_1692422	Inhibition of human thrombin by using chromogenic substrate spectrozyme TH preincubated for 5 mins followed by substrate addition by spectrophotometric method
50000745	6	ChEBML_1692426	Inhibition of human F10a by using chromogenic substrate spectrozyme F10a preincubated for 5 mins followed by substrate addition by spectrophotometric method
50000745	7	ChEBML_1692427	Inhibition of human F11a by using chromogenic substrate S-2366 preincubated for 5 mins followed by substrate addition by spectrophotometric method
50000745	8	ChEBML_1692428	Inhibition of human F9a by using chromogenic substrate spectrozyme F9a preincubated for 5 mins followed by substrate addition by spectrophotometric method
50037539	1	ChEMBL_302817 (CHEMBL839507)	Binding affinity for human cytidine deaminase
50037540	1	ChEMBL_306661 (CHEMBL831434)	Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine
50037540	2	ChEMBL_306687 (CHEMBL830021)	Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase
50037540	3	ChEMBL_306631 (CHEMBL829933)	Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine
50037540	4	ChEMBL_306517 (CHEMBL828122)	Inhibition of putrescine binding to against Diamine oxidase of porcine kidney
50037540	5	ChEMBL_306596 (CHEMBL832943)	Inhibition of putrescine binding to pea seedling amine oxidase
50037540	6	ChEMBL_306569 (CHEMBL832086)	Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum
50037540	7	ChEMBL_306391 (CHEMBL828732)	Inhibition of putrescine binding to Pea seedling amine oxidase
50037540	8	ChEMBL_306371 (CHEMBL828342)	Inhibition of putrescine binding to Pea seedling amine oxidase
50037540	9	ChEMBL_306674 (CHEMBL832275)	Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase 
50037540	10	ChEMBL_306632 (CHEMBL829934)	Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine
50037540	11	ChEMBL_306749 (CHEMBL830894)	Inhibition of phenylethylamine binding to Hansenula polymorpha amine oxidase
50037540	12	ChEMBL_306498 (CHEMBL828103)	Inhibition of putrescine binding to Diamine oxidase of porcine kidney
50037540	13	ChEMBL_306619 (CHEMBL829079)	Inhibition of protein-bound lysine binding to Lysyl oxidase of porcine aorta
50037540	14	ChEMBL_306645 (CHEMBL832982)	Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine
50037540	15	ChEMBL_312873 (CHEMBL874951)	Inhibition of putrescine binding to Diamine oxidase of porcine kidney
50037540	16	ChEMBL_306564 (CHEMBL829139)	Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum
50037541	1	ChEMBL_313008 (CHEMBL874202)	Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation
50037541	2	ChEMBL_312997 (CHEMBL873338)	Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation
50000745	9	ChEBML_1692429	Inhibition of human F12a by using chromogenic substrate spectrozyme F12a preincubated for 5 mins followed by substrate addition by spectrophotometric method
50000745	10	ChEMBL_1692454 (CHEMBL4043344)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 15 uM unfractionated heparin by spectrophotometric method
50000745	17	ChEMBL_1692461 (CHEMBL4043351)	Allosteric inhibition of human plasmin assessed as delay in clot lysis after 410 mins by spectrophotometer method
50000745	3	ChEMBL_1692462 (CHEMBL4043352)	Binding affinity to human dansyl-EGR-chloromethylketone-plasmin complex assessed as loss of intrinsic tryptophan fluorescence by spectrofluorometric method
50000745	12	ChEMBL_1692456 (CHEMBL4043346)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 285 uM unfractionated heparin by spectrophotometric method
50037544	1	ChEMBL_306462 (CHEMBL829539)	Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1
50000745	4	ChEMBL_1692463 (CHEMBL4043353)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in absence of NaCl by spectrophotometric method
50037545	3	ChEMBL_303391 (CHEMBL839962)	Inhibition of methyllycaconitine (MLA) binding to Nicotinic acetylcholine receptor alpha-7 in rat brain homogenates
50037545	5	ChEMBL_303145 (CHEMBL829119)	Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor from rat brain homogenates
50000745	11	ChEMBL_1692455 (CHEMBL4043345)	Allosteric inhibition of human plasmin using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate addition measured over 20 to 120 secs in presence of 50 uM unfractionated heparin by spectrophotometric method
50000746	1	ChEMBL_1692585 (CHEMBL4043475)	Inhibition of acetylated histone H4 binding to N-terminal His6-tagged BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by TR-FRET assay
50000746	2	ChEMBL_1692556 (CHEMBL4043446)	Inhibition of His-epitope tagged BRD4 bromodomain 2 (333 to 460 residues) (unknown origin) using biotinylated histone H4 as substrate after 1 hr by AlphaScreen assay
50000746	3	ChEMBL_1692546 (CHEMBL4043436)	Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay
50000746	4	ChEMBL_1692545 (CHEMBL4043435)	Inhibition of His-tagged BRD4 (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay
50037546	1	ChEMBL_305654 (CHEMBL829512)	Inhibitory concentration against human plasma Butyrylcholinesterase
50037546	2	ChEMBL_305786 (CHEMBL874440)	Inhibitory concentration against human erythrocyte Acetylcholinesterase
50037547	1	ChEMBL_302810 (CHEMBL838518)	Inhibition of [3H]-nisoxetine binding to rat norepinephrine transporter
50037547	2	ChEMBL_302731 (CHEMBL838679)	Inhibition of [3H]paroxetine binding to rat serotonin transporter
50037547	3	ChEMBL_302722 (CHEMBL839593)	Inhibition of [3H]WIN-35428 binding to rat dopamine transporter
50037547	4	ChEMBL_302974 (CHEMBL827953)	Inhibition of [3H]DAMGO binding to mu-opioid receptor at 100 uM
50037547	5	ChEMBL_302547 (CHEMBL827398)	Inhibition of [3H]DAMGO binding to mu-opioid receptor
50037547	6	ChEMBL_303224 (CHEMBL827189)	Inhibition of [3H]nisoxetine binding to rat norepinephrine transporter at 10 uM
50037547	7	ChEMBL_302723 (CHEMBL876353)	Inhibition of [3H]WIN-35428 binding to rat dopamine transporter
50000746	5	ChEMBL_1692544 (CHEMBL4043434)	Inhibition of GST-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 mins in dark by AlphaScreen assay
50037548	3	ChEMBL_302130 (CHEMBL841754)	Affinity for ZipA bacterial protein
50037549	1	ChEMBL_306782 (CHEMBL831537)	Inhibition of [125I][Leu8,D-Trp22,Trp25]somatostatin-28 binding to somatostatin receptor 2
50037550	1	ChEMBL_303624 (CHEMBL828835)	Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells 
50000746	6	ChEMBL_1692542 (CHEMBL4043432)	Inhibition of recombinant His-tagged BRD4 (unknown origin) using biotinylated acetyl-histone H4 as substrate by AlphaLisa assay
50000746	7	ChEBML_1692565	Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate after 45 mins in presence of gamma-P33-ATP by radiometric kinase assay
50000746	8	ChEMBL_1692566 (CHEMBL4043456)	Inhibition of recombinant human N-terminal His6-tagged BRD4 expressed in Escherichia coli BL21(DE3) cells using biotinylated histone H4 peptide as substrate after 60 mins by AlphaScreen assay
50000746	9	ChEBML_1692567	Inhibition of JAK2 (unknown origin)
50000746	10	ChEBML_1692568	Inhibition of p38alpha/beta (unknown origin)
50000746	11	ChEMBL_1692570 (CHEMBL4043460)	Inhibition of recombinant human His6-tagged BRD2 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells
50000746	13	ChEMBL_1692573 (CHEMBL4043463)	Inhibition of BRD4 (unknown origin)
50000746	14	ChEMBL_1692576 (CHEMBL4043466)	Inhibition of poly-His tagged CREBBP (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	18	ChEMBL_1692581 (CHEMBL4043471)	Inhibition of poly-His tagged BRD2 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	17	ChEMBL_1692580 (CHEMBL4043470)	Inhibition of poly-His tagged BRD3 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	38	ChEMBL_1692540 (CHEMBL4043430)	Inhibition of recombinant His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay
50037550	3	ChEMBL_302546 (CHEMBL827397)	Binding affinity for human Corticotropin releasing factor receptor 2
50000746	19	ChEMBL_1692586 (CHEMBL4043476)	Inhibition of acetylated H4 binding to BRD4 (unknown origin)
50000746	20	ChEMBL_1692588 (CHEMBL4043478)	Inhibition of acetylated H4 binding to BRD3 (unknown origin)
50000746	21	ChEMBL_1692528 (CHEMBL4043418)	Inhibition of human BRD4 using acetylated histone H4 peptide as substrate by TR-FRET assay
50000746	22	ChEMBL_1692527 (CHEMBL4043417)	Inhibition of human full length BRD4 using acetylated histone H4 peptide as substrate by TR-FRET assay
50037551	2	ChEMBL_303550 (CHEMBL828801)	Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes
50000746	23	ChEMBL_1692526 (CHEMBL4043416)	Inhibition of BRD4 bromodomain 1 (unknown origin) using biotinylated substrate after 1 hr by AlphaLisa assay
50037551	4	ChEMBL_305824 (CHEMBL829566)	Inhibition of adenylyl cyclase activity in rat cortical membranes
50000746	31	ChEMBL_1692522 (CHEMBL4043412)	Inhibition of BRD4 in human HepG2 cells assessed as upregulation of ApoA1 by luciferase reporter gene assay
50037551	1	ChEMBL_303580 (CHEMBL828979)	Displacement of [3H]CGS-21680 binding to adenosine A2A receptors of bovine striatal membranes
50000746	25	ChEMBL_1692551 (CHEMBL4043441)	Inhibition of His-tagged BRD4 (44 to 477 residues) (unknown origin) using acetyl-histone H4 as substrate after 35 mins by TR-FRET assay
50037551	5	ChEMBL_302932 (CHEMBL830391)	Binding affinity for human adenosine A3 receptor subtype expressed in CHO cells
50000746	26	ChEBML_1692576	Inhibition of poly-His tagged CREBBP (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50037551	6	ChEMBL_302953 (CHEMBL841788)	Binding affinity for human adenosine A2a receptor subtype expressed in CHO cells
50000746	27	ChEMBL_1692547 (CHEMBL4043437)	Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay
50000746	41	ChEMBL_1692558 (CHEMBL4043448)	Inhibition of His-tagged BRD4 bromodomain 2 (357 to 445 residues) (unknown origin) using acetyl-histone H4 as substrate after overnight incubation by TR-FRET assay
50037551	7	ChEMBL_302931 (CHEMBL830390)	Binding affinity for human adenosine A1 receptor subtype expressed in CHO cells
50037551	8	ChEMBL_302954 (CHEMBL841789)	Binding affinity for human adenosine A2b receptor subtype expressed in CHO cells
50037551	3	ChEMBL_303615 (CHEMBL828870)	Displacement of [125I]AB-MECA from adenosine A3 receptors in bovine cortical membranes
50000746	36	ChEMBL_1692531 (CHEMBL4043421)	Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) using biotinylated histone peptide as substrate after 60 mins by TR-FRET assay
50000746	32	ChEMBL_1692521 (CHEMBL4043411)	Inhibition of recombinant human His6-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH peptide substrate addition after 30 mins by alphascreen assay
50000746	28	ChEMBL_1692525 (CHEMBL4043415)	Inhibition of recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (67 to 152 residues) expressed in Escherichia coli preincubated for 10 mins followed by acetylated histone H4 addition after overnight by TR-FRET assay
50000746	29	ChEMBL_1692524 (CHEMBL4043414)	Inhibition of biotin-labeled acetylated peptide binding to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000746	30	ChEMBL_1692523 (CHEMBL4043413)	Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human His-tagged BRD4 (1 to 477 residues) after 1 hr by FRET assay
50000746	33	ChEMBL_1692520 (CHEMBL4043410)	Inhibition of recombinant human His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by H4K5acK8acK12acK16ac peptide substrate addition after 30 mins by alphascreen assay
50000746	34	ChEBML_1692538	Inhibition of GST-tagged BRD4 (unknown origin) using biotinylated acetyl-histone H4 peptide as substrate after 30 mins by AlphaScreen assay
50000746	35	ChEMBL_1692534 (CHEMBL4043424)	Inhibition of recombinant human N-terminal His6-tagged BRD4 (1 to 477 residues) expressed in Escherichia coli using tetra-acetylated histone peptide as substrate after 60 mins by TR-FRET assay
50000746	37	ChEMBL_1692539 (CHEMBL4043429)	Inhibition of recombinant His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assay
50000746	45	ChEMBL_1692572 (CHEMBL4043462)	Inhibition of recombinant human His6-tagged BRD2 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells
50000746	39	ChEMBL_1692563 (CHEMBL4043453)	Displacement of Halo-tagged histone H3.3 from N-terminal NanoLuc-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) expressed in HCT116 cells after 18 hrs by NanoBRET assay
50000746	24	ChEMBL_1692555 (CHEMBL4043445)	Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated histone H4 as substrate after 1 hr by AlphaScreen assay
50000746	12	ChEMBL_1692571 (CHEMBL4043461)	Inhibition of recombinant human His6-tagged BRD3 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells
50000746	42	ChEMBL_1692561 (CHEMBL4043451)	Inhibition of recombinant human His-tagged BRD4 bromodomain 1 (44 to 168 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay
50000746	44	ChEBML_1692579	Inhibition of poly-His tagged BRD3 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	46	ChEMBL_1692578 (CHEMBL4043468)	Inhibition of poly-His tagged BRD4 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	47	ChEMBL_1692582 (CHEMBL4043472)	Inhibition of poly-His tagged BRD2 bromodomain 2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000746	48	ChEBML_1692572	Inhibition of recombinant human His6-tagged BRD2 bromodomain 2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells
50000746	40	ChEMBL_1692562 (CHEMBL4043452)	Displacement of Halo-tagged histone H3.3 from NanoLuc-tagged full length BRD4 (unknown origin) expressed in HCT116 cells after 18 hrs by NanoBRET assay
50000746	15	ChEMBL_1692577 (CHEMBL4043467)	Inhibition of poly-His tagged BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy assay
50000747	1	ChEBML_1692665	Inhibition of human CA1 by stopped-flow CO2 hydrase assay
50000747	2	ChEBML_1692666	Inhibition of human CA2 by stopped-flow CO2 hydrase assay
50000747	3	ChEBML_1692667	Inhibition of human CA3 by stopped-flow CO2 hydrase assay
50000747	4	ChEBML_1692668	Inhibition of human CA4 by stopped-flow CO2 hydrase assay
50037553	1	ChEMBL_303175 (CHEMBL829669)	In vitro displacement of CP-55940 binding to human CB2 receptor expressed in CHO cells
50037553	2	ChEMBL_303193 (CHEMBL829819)	In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells
50037553	3	ChEMBL_303194 (CHEMBL829820)	In vitro displacement of CP-55940 binding to human CB2 receptor expressed in CHO cells
50000747	5	ChEBML_1692669	Inhibition of human CA5A by stopped-flow CO2 hydrase assay
50000747	6	ChEBML_1692670	Inhibition of human CA5B by stopped-flow CO2 hydrase assay
50000747	7	ChEBML_1692671	Inhibition of human CA6 by stopped-flow CO2 hydrase assay
50000747	8	ChEBML_1692672	Inhibition of human CA7 by stopped-flow CO2 hydrase assay
50000747	9	ChEBML_1692673	Inhibition of human CA9 by stopped-flow CO2 hydrase assay
50037554	2	ChEMBL_310782 (CHEMBL835628)	Effective concentration for intracellular cAMP accumulation in human melanocortin 5 receptor expressing HEK 293 cells; (N = 4)
50000747	10	ChEBML_1692674	Inhibition of human CA12 by stopped-flow CO2 hydrase assay
50037554	4	ChEMBL_306268 (CHEMBL827546)	Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK293 cells; (N = 4)
50000747	11	ChEBML_1692675	Inhibition of human CA13 by stopped-flow CO2 hydrase assay
50000747	12	ChEBML_1692676	Inhibition of human CA14 by stopped-flow CO2 hydrase assay
50000747	13	ChEBML_1692677	Inhibition of mouse CA15 by stopped-flow CO2 hydrase assay
50037554	1	ChEMBL_306266 (CHEMBL828399)	Inhibition of [125I]NDP-MSH binding to Melanocortin 1 receptor expressed in HEK293 cells; (N = 4)
50000748	1	ChEBML_1692709	Inhibition of rat heart mitochondrial CPT-1
50000748	2	ChEMBL_1692709 (CHEMBL4043599)	Inhibition of rat heart mitochondrial CPT-1
50000748	3	ChEMBL_1692682 (CHEMBL4043572)	Inhibition of Wistar rat heart mitochondrial CPT-1 assessed as reduction in conversion of palmitoyl CoA and L-carnitine into palmitoylcarnitine preincubated for 3 mins followed by L-carnitine and palmitoyl CoA addition measured for 3.5 mins by spectrophotometric analysis
50000749	8	ChEMBL_1692729 (CHEMBL4043619)	Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate after 15 mins by liquid scintillation counting method
50000749	1	ChEMBL_1692736 (CHEMBL4043626)	Inhibition of FAAH in human U937 cells assessed as decrease in [ethanolamine-1-3H]AEA uptake preincubated for 2 mins followed by AEA addition after 5 mins by liquid scintillation counting method
50000749	2	ChEBML_1692734	Inhibition of recombinant human COX2 preincubated for 15 mins followed by arachidonic acid/2-OG substrate addition after 5 mins by ADHP probe-based fluorescence assay
50000749	3	ChEMBL_1692725 (CHEMBL4043615)	Binding affinity to human CB1 receptor expressed in CHOK1 cells
50000749	4	ChEMBL_1692726 (CHEMBL4043616)	Binding affinity to human CB2 receptor expressed in CHOK1 cells
50000749	5	ChEBML_1692725	Binding affinity to human CB1 receptor expressed in CHOK1 cells
50000749	6	ChEBML_1692727	Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation counting method
50000749	7	ChEBML_1692736	Inhibition of FAAH in human U937 cells assessed as decrease in [ethanolamine-1-3H]AEA uptake preincubated for 2 mins followed by AEA addition after 5 mins by liquid scintillation counting method
50000751	2	ChEMBL_1692737 (CHEMBL4043627)	Inhibition of Biotin-Ahx-PMQS(pT)PLN-NH2 binding to myc-tagged full-length human Plk1 expressed in HEK-293T cells incubated for 1 hr by ELISA
50000751	1	ChEBML_1692738	Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization assay
50000751	5	ChEMBL_1692738 (CHEMBL4043628)	Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to myc-tagged human Plk1 PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization assay
50037555	1	ChEMBL_303313 (CHEMBL840039)	Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay
50037555	2	ChEMBL_306203 (CHEMBL830161)	Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay
50037555	3	ChEMBL_306117 (CHEMBL830068)	Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay
50037555	4	ChEMBL_303314 (CHEMBL840040)	Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay
50037556	1	ChEMBL_303283 (CHEMBL828276)	Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue
50037556	2	ChEMBL_303304 (CHEMBL840030)	Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex
50037557	1	ChEMBL_302151 (CHEMBL830052)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 278 K
50037557	2	ChEMBL_302154 (CHEMBL830055)	Dissociation constant value of the radiolabeled compound against the androgen receptor 293 K
50000751	3	ChEBML_1692739	Inhibition of 5CF-GPMQTSpTPKNG-NH2 binding to myc-tagged Plk2 (unknown origin) PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization assay
50037557	6	ChEMBL_302149 (CHEMBL830050)	Dissociation constant against Adenosine A1 receptor
50037557	7	ChEMBL_302153 (CHEMBL830054)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 288 K
50000751	4	ChEBML_1692740	Inhibition of 5CF-PLATSpTPKNG-NH2 binding to myc-tagged Plk3 (unknown origin) PBD expressed in HEK-293T cells incubated for 1 hr by fluorescence polarization assay
50037557	11	ChEMBL_302156 (CHEMBL829224)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 303 K
50037557	12	ChEMBL_302159 (CHEMBL829227)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 273 K
50037557	18	ChEMBL_302152 (CHEMBL830053)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 283 K
50037557	21	ChEMBL_302158 (CHEMBL829226)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 310K
50037557	25	ChEMBL_302157 (CHEMBL829225)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 308 K
50000753	1	ChEBML_1692745	Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay
50037557	27	ChEMBL_302155 (CHEMBL830056)	Dissociation constant for [3H]R-1881 binding to human androgen receptor at 298 K
50037558	1	ChEMBL_304933 (CHEMBL826963)	Inhibitory concentration against human alpha-fucosidase
50037558	2	ChEBML_305362	Inhibitory concentration against alpha-mannosidase of rat epididymis
50037558	5	ChEBML_304956	Inhibitory concentration against human alpha-glucosidase
50037558	6	ChEBML_304782	Inhibitory concentration against beta-glucosidase
50037558	7	ChEBML_305031	Inhibitory concentration against human alpha-galactosidase
50037558	8	ChEBML_305022	Inhibitory concentration against rice alpha-glucosidase
50037558	9	ChEBML_305123	Inhibitory concentration against human alpha-L-fucosidase
50037558	11	ChEMBL_305331 (CHEMBL833552)	Inhibitory concentration against beta-galactosidase of bovine liver
50037558	10	ChEBML_305486	Inhibitory concentration against alpha-L-fucosidase of bovine epididymis
50037558	13	ChEBML_305213	Inhibitory concentration against alpha-mannosidase of jack bean
50037558	14	ChEBML_304937	Inhibitory concentration against rat intestinal maltase
50037558	15	ChEBML_305505	Inhibitory concentration against alpha-galactosidase of Aspergillus niger
50037558	17	ChEBML_305331	Inhibitory concentration against beta-galactosidase of bovine liver
50037558	18	ChEMBL_305486 (CHEMBL830277)	Inhibitory concentration against alpha-L-fucosidase of bovine epididymis
50037558	19	ChEBML_304991	Inhibitory concentration against human beta-galactosidase
50037558	20	ChEBML_304957	Inhibitory concentration against human alpha-mannosidase
50037558	21	ChEBML_305023	Inhibitory concentration against beta-galactosidase of rat
50037559	1	ChEMBL_302941 (CHEMBL841776)	Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells
50037559	2	ChEMBL_303017 (CHEMBL830256)	Displacement of [3H]-ZM 241385 binding to human adenosine A2A receptor expressed in CHO cells
50037559	3	ChEMBL_303072 (CHEMBL828898)	Displacement of [125I]-AB-MECA binding to human adenosine A3 receptor expressed in HEK 293 cells
50037560	1	ChEMBL_305314 (CHEMBL831705)	Inhibition of [125I]PYY binding to the rat NPY Y5 receptor in C6 cells
50037561	2	ChEMBL_303339 (CHEMBL840155)	Inhibition of [3H]PSB-298 binding to adenosine A2b receptor
50037561	5	ChEMBL_303305 (CHEMBL840031)	Inhibition of [3H]MSX-2 binding to adenosine A2a receptor
50037561	7	ChEMBL_302911 (CHEMBL830371)	Percent inhibition of [3H]PSB-11 binding to adenosine A3 receptor at 10 uM
50037561	8	ChEMBL_303281 (CHEMBL828274)	Inhibition of [3H]NECA binding to adenosine A2a receptor
50037561	3	ChEMBL_303270 (CHEMBL828264)	Inhibition of [3H]CCPA binding to adenosine A1 receptor
50037561	9	ChEMBL_303282 (CHEMBL828275)	Inhibition of [3H]PSB-11 binding to adenosine A3 receptor
50000753	2	ChEBML_1692746	Inhibition of bovine GRK5 after 5 mins after 5 mins in presence of ATP by phosphorimaging assay
50037561	1	ChEMBL_303306 (CHEMBL840032)	Inhibition of [3H]PSB-11 binding to adenosine A3 receptor
50037561	10	ChEMBL_303359 (CHEMBL838694)	Inhibition of [3H]ZM-241,385 binding to adenosine A2b receptor
50037561	11	ChEMBL_303280 (CHEMBL828273)	Inhibition of [3H]R-PIA binding to adenosine A1 receptor
50037562	1	ChEMBL_303177 (CHEMBL829671)	Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells
50037562	2	ChEMBL_306150 (CHEMBL832338)	Inhibitory concentration against phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells
50037563	1	ChEMBL_305830 (CHEMBL829572)	Inhibitory concentration against rat metabotropic glutamate receptor 1
50037563	2	ChEMBL_305883 (CHEMBL874546)	Inhibitory concentration against human metabotropic glutamate receptor
50037563	3	ChEMBL_305855 (CHEMBL832715)	Inhibitory concentration against rat metabotropic glutamate receptor 1
50000753	3	ChEBML_1692743	Inhibition of GRK2 (unknown origin)
50037563	4	ChEMBL_306372 (CHEMBL828343)	Inhibitory concentration against human metabotropic glutamate receptor 1 transmembrane domain
50037564	1	ChEMBL_302883 (CHEMBL828797)	Binding affinity for H1 histamine receptor expressed in CHO cells
50037565	1	ChEMBL_306027 (CHEMBL829953)	Inhibitory concentration against human immunodeficiency virus-1 protease
50037565	2	ChEMBL_306543 (CHEMBL828288)	Inhibitory concentration against human immunodeficiency virus-1 protease; (Dimerization inhibitor)
50037565	3	ChEMBL_303178 (CHEMBL829672)	Inhibitory concentration against human immunodeficiency virus -1 protease
50037565	4	ChEMBL_306544 (CHEMBL828289)	Inhibitory concentration against human immunodeficiency virus-1 protease; (competitive inhibitor)
50037565	5	ChEMBL_303551 (CHEMBL828802)	Inhibitory concentration against human immunodeficiency virus-1 protease; (Dimerization inhibitor)
50037566	1	ChEMBL_305701 (CHEMBL827216)	Inhibition of topoisomerase I-DNA complex in trapping assay
50037567	1	ChEMBL_302741 (CHEMBL838688)	Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase
50037568	1	ChEMBL_310799 (CHEMBL835645)	Stimulation of [3H]phosphatidylinositol accumulation by rat Metabotropic glutamate receptor 4 co-expressed with Gqi9 protein in HEK 293 cells; Inactive
50037568	2	ChEMBL_310766 (CHEMBL824816)	Stimulation od [3H]phosphatidylinositol accumulation by rat Metabotropic glutamate receptor 4 co-expressed with Gqi9 protein in HEK 293 cells
50037568	3	ChEMBL_304192 (CHEMBL829187)	Effective concentration against D309A mutant Metabotropic glutamate receptor 4
50037568	4	ChEMBL_304180 (CHEMBL829176)	Effective concentration against Metabotropic glutamate receptor 4
50010336	54	ChEBML_1970459	Inhibition of recombinant GST-tagged human BRSK1 expressed in baculovirus expression system using Ser/Thr-21 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	55	ChEBML_1970458	Inhibition of full length human CAMK1 alpha expressed in baculovirus expression system using ZIPtide as substrate after 1 hr in presence of ATP by TR-FRET based assay
50010336	56	ChEBML_1970457	Inhibition of recombinant full length human His-tagged CAMK1delta expressed in baculovirus expression system using serine/threonine-25 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	57	ChEBML_1970456	Inhibition of recombinant full length human His-tagged CAMK2alpha expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	58	ChEBML_1970455	Inhibition of recombinant full length human His-tagged CAMK2beta expressed in baculovirus expression system using serine/threonine-17 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	59	ChEBML_1970454	Inhibition of recombinant full length human His-tagged CAMK2D expressed in baculovirus expression system using serine/threonine-04 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	60	ChEBML_1970453	Inhibition of recombinant full length human full length GST-tagged CAMK4 expressed in Escherichia coli expression system using serine/threonine-13 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	61	ChEBML_1970452	Inhibition of recombinant human His-tagged MRCKalpha catalytic domain (1 to 473 residues) expressed in baculovirus expression system using serine/threonine-13 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	62	ChEBML_1970451	Inhibition of recombinant human His-tagged MRCKB catalytic domain expressed in baculovirus expression system using serine/threonine-13 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	63	ChEBML_1970450	Inhibition of recombinant full length human His-tagged CDK1/CyclinB expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	64	ChEBML_1970449	Inhibition of recombinant full length human His-tagged CDK2/Cyclin A expressed in baculovirus expression system using serine/threonine-12 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	65	ChEMBL_1970448 (CHEMBL4603266)	Inhibition of recombinant full length human GST/His-tagged CDK5/p25 expressed in baculovirus expression system using serine/threonine-12 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	66	ChEMBL_1970618 (CHEMBL4603436)	Inhibition of recombinant full length human His-tagged CDK5/p35 expressed in baculovirus expression system using serine/threonine-12 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	67	ChEMBL_1970619 (CHEMBL4603437)	Inhibition of recombinant full length human His-tagged CDK7/CyclinH/MAT1 expressed in baculovirus expression system using CDK7/9tide peptide as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	68	ChEMBL_1970620 (CHEMBL4603438)	Inhibition of recombinant full length human His-tagged CDK9/CyclinT1 expressed in baculovirus expression system using CDK7/9tide peptide as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	69	ChEBML_1970621	Inhibition of recombinant human full-length His-tagged CHEK1 expressed in baculovirus expression system using FRET-labeled Ser/Thr 19 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	70	ChEBML_1970622	Inhibition of recombinant human full-length His-tagged CHEK2 expressed in baculovirus expression system using FRET-labeled Ser/Thr 07 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	71	ChEBML_1970623	Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	72	ChEBML_1970624	Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system using serine/threonine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	73	ChEBML_1970625	Inhibition of recombinant full length human GST-tagged CLK3 expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50037570	1	ChEMBL_304413 (CHEMBL831818)	Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes
50037571	1	ChEMBL_303388 (CHEMBL839015)	Inhibitory constant for [3H]SCH-23390 binding to Dopamine receptor D1-like of porcine striatal membranes
50037571	2	ChEMBL_303438 (CHEMBL839607)	Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes
50037571	3	ChEMBL_302418 (CHEMBL828822)	Inhibitory constant for Dopamine receptor D1-like
50037572	1	ChEMBL_303347 (CHEMBL839662)	Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7
50037572	2	ChEMBL_306411 (CHEMBL828752)	Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7
50037573	1	ChEMBL_302539 (CHEMBL875215)	Inhibitory constant against HIV-1 reverse transcriptase
50037574	1	ChEMBL_305984 (CHEMBL832971)	Inhibitory activity against 17 beta hydroxysteroid dehydrogenase type 1 in T47D cells
50000754	1	ChEBML_1692765	Displacement of [3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes incubated for 120 mins by liquid scintillation counting
50000754	2	ChEBML_1692766	Displacement of [3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortex membranes incubated for 120 mins by liquid scintillation counting
50000754	3	ChEBML_1692767	Displacement of [3H]pentazocine from sigma2 receptor in Sprague-Dawley rat liver membranes incubated for 120 mins by liquid scintillation counting
50037576	1	ChEMBL_304217 (CHEMBL828933)	Relative effective concentration against human somatostatin receptor type 2 expressed in CHO cells; (n=3)
50037576	2	ChEMBL_306846 (CHEMBL828440)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=3)
50037576	3	ChEMBL_306853 (CHEMBL828447)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=6)
50037576	4	ChEMBL_306841 (CHEMBL828435)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=3)
50037576	5	ChEMBL_306864 (CHEMBL827599)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=5)
50037576	6	ChEMBL_306851 (CHEMBL828445)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=3)
50037576	7	ChEMBL_306862 (CHEMBL827597)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=3)
50037576	8	ChEMBL_306863 (CHEMBL827598)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=4)
50037576	9	ChEMBL_306842 (CHEMBL828436)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=5)
50037576	10	ChEMBL_306868 (CHEMBL827603)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=3)
50037576	11	ChEMBL_306847 (CHEMBL828441)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=4)
50037576	12	ChEMBL_306852 (CHEMBL828446)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=5)
50037576	13	ChEMBL_306867 (CHEMBL827602)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2)
50037576	14	ChEMBL_306869 (CHEMBL828467)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=5)
50037576	15	ChEMBL_306843 (CHEMBL828437)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=6)
50037576	16	ChEMBL_306845 (CHEMBL828439)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=2)
50037576	17	ChEMBL_306849 (CHEMBL828443)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=7)
50037576	18	ChEMBL_306870 (CHEMBL828468)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=6)
50037576	19	ChEMBL_306850 (CHEMBL828444)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 4 expressed in CCL39 cells; (n=2)
50037576	20	ChEMBL_306844 (CHEMBL828438)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 2 expressed in CCL39 cells; (n=7)
50037576	21	ChEMBL_306866 (CHEMBL827601)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=7)
50037576	22	ChEMBL_306861 (CHEMBL828455)	In vitro inhibitory concentration against somatostatin receptor type 1 expressed in CHO-K1 cells using [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 as radioligand; (n=2)
50037576	23	ChEMBL_306840 (CHEMBL831031)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 5 expressed in CHO-K1 cells; (n=2)
50037576	24	ChEMBL_306848 (CHEMBL828442)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 3 expressed in CCL39 cells; (n=5)
50037576	25	ChEMBL_306865 (CHEMBL827600)	In vitro inhibition of [125I][Leu8,D-Trp22,Tyr25] somatostatin 28 binding to human somatostatin receptor type 1 expressed in CHO-K1 cells; (n=6)
50037577	1	ChEMBL_306589 (CHEMBL832936)	Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter
50037577	2	ChEMBL_306359 (CHEMBL828236)	Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells
50037577	4	ChEMBL_306261 (CHEMBL828394)	Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells
50037577	5	ChEMBL_306238 (CHEMBL830335)	Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells
50037577	6	ChEMBL_306360 (CHEMBL828237)	Inhibition of [3H]5-HT uptake in HEK293 cells expressing human serotonin transporter
50037577	3	ChEMBL_306535 (CHEMBL827824)	Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter
50000755	1	ChEBML_1692772	Inhibition of BACE1 (unknown origin) pre-incubated for 10 mins before addition of fluorescent substrate HiLyte FluorTM 488-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys and measured over 30 mins
50000756	1	ChEBML_1692779	Inhibition of human recombinant MAOB assessed as reduction in H2O2 production from p-tyramine incubated for 15 mins by Amplex red reagent based fluorimetric method
50000756	2	ChEBML_1692777	Inhibition of human recombinant MAOA assessed as reduction in H2O2 production from p-tyramine incubated for 15 mins by Amplex red reagent based fluorimetric method
50037578	1	ChEMBL_302625 (CHEMBL839917)	Binding affinity towards Farnesyl diphosphate synthase from leishmania major
50037579	1	ChEBML_305581	In vitro inhibitory concentration against Cytochrome P450 17 expressed in Escherichia coli
50000757	1	ChEBML_1692781	Inhibition of binding of immobilized mannosylated BSA to DC-SIGN extracellular domain (66 to 404 residues) (unknown origin) expressed in Escherichia coli by SPR assay
50000760	1	ChEBML_1692826	Binding affinity to full length N-terminal 6xHis-Smt3 tagged human Ube2T expressed in Escherichia coli BL21(DE3) by ITC
50037579	4	ChEBML_306627	Inhibition of [1-beta-3H]-androstenedione binding to human steroid 5-alpha-reductase type I expressed in DU-145 cells at 10 uM
50000763	1	ChEBML_1692865	Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction of Poly(ADP-ribosyl)ation after 15 mins in presence of [3H]NAD+/cleaved DNA/histones by scintillation counting method
50000764	1	ChEBML_1692884	Inhibition of CYP3A4 in human liver microsomes
50037579	5	ChEBML_306524	Inhibition of [1-beta-2beta-3H]- -testosterone binding to human steroid 5-alpha-reductase type 2 of BPH tissue at 10 uM
50000765	1	ChEBML_1692890	Inhibition of human recombinant His-tagged FGFR4 cytoplasmic domain (781 to 1338 residues) expressed in baculovirus using Tyr-4 peptide after 1 hr by FRET-based Z'-Lyte assay
50000765	2	ChEBML_1692889	Inhibition of human recombinant His-tagged FGFR3 cytoplasmic domain (399 to 806 residues) expressed in baculovirus using Tyr-4 peptide after 1 hr by FRET-based Z'-Lyte assay
50037580	2	ChEMBL_304136 (CHEMBL840253)	Effective concentration for mouse Melanocortin-5 receptor
50000765	3	ChEBML_1692888	Inhibition of human recombinant cytoplasmic His-tagged FGFR2 (403 to 822 residues) expressed in baculovirus using Tyr-4 peptide after 1 hr by FRET-based Z'-Lyte assay
50000765	4	ChEBML_1692887	Inhibition of human recombinant His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus using Tyr-4 peptide after 1 hr by FRET-based Z'-Lyte assay
50037580	4	ChEMBL_304135 (CHEMBL840252)	Effective concentration for mouse Melanocortin-4 receptor
50037580	1	ChEMBL_304133 (CHEMBL840250)	Effective concentration for mouse Melanocortin-1 receptor
50000766	1	ChEBML_1693418	Inhibition of bovine milk xanthine oxidase pre-incubated for 30 mins followed by xanthine addition and measured every 30 secs for 5 mins by spectrophotometry
50037580	3	ChEMBL_304134 (CHEMBL840251)	Effective concentration for mouse Melanocortin-3 receptor
50000767	1	ChEBML_1693435	Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapted malachite green assay
50000768	1	ChEBML_1693458	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by microbeta scintillation counting analysis
50000768	2	ChEBML_1693459	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by microbeta scintillation counting analysis
50000768	3	ChEBML_1693460	Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes by microbeta scintillation counting analysis
50037582	2	ChEBML_304863	Inhibition of Cyclin-dependent kinase 2
50037583	1	ChEMBL_304147 (CHEMBL840263)	In vitro agonist potency for Mouse Melanocortin 4 receptor
50037583	2	ChEMBL_304145 (CHEMBL840261)	In vitro agonist potency for Mouse Melanocortin 1 receptor
50037583	3	ChEMBL_304148 (CHEMBL828129)	In vitro agonist potency for Mouse Melanocortin 5 receptor
50037583	4	ChEMBL_304146 (CHEMBL840262)	In vitro agonist potency for Mouse Melanocortin 3 receptor
50037584	1	ChEMBL_305838 (CHEMBL829579)	Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen
50037584	2	ChEMBL_305802 (CHEMBL827990)	Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen
50037585	3	ChEMBL_305568 (CHEMBL827162)	Inhibitory concentration against maize histone deacetylase 2
50000769	4	ChEMBL_1693463 (CHEMBL4044353)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cell membranes by radioligand binding assay
50000769	1	ChEMBL_1693462 (CHEMBL4044352)	Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay
50000769	2	ChEBML_1693462	Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay
50000769	3	ChEBML_1693465	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay
50000770	1	ChEMBL_1693503 (CHEMBL4044393)	Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis
50000770	2	ChEBML_1693503	Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis
50000770	3	ChEBML_1693494	Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassay
50000771	1	ChEMBL_1693521 (CHEMBL4044411)	Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mins by Ellman's method
50000771	2	ChEMBL_1693524 (CHEMBL4044414)	Reactivation of VX-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured at 5 to 180 mins by Ellman's method
50000771	3	ChEMBL_1693525 (CHEMBL4044415)	Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured at 5 to 180 mins by Ellman's method
50000771	4	ChEBML_1693525	Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured at 5 to 180 mins by Ellman's method
50037586	1	ChEMBL_303535 (CHEMBL839649)	Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranes
50037586	2	ChEMBL_303276 (CHEMBL828270)	Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes
50037586	3	ChEMBL_303452 (CHEMBL839712)	Inhibition of [3H]U-69593 binding to opioid receptor kappa from guinea pig brain membranes
50037586	4	ChEMBL_305140 (CHEMBL832435)	In vitro agonistic activity against opioid receptor mu of guinea pig ileum
50037586	5	ChEMBL_305867 (CHEMBL831911)	In vitro agonistic activity against opioid receptor delta of mouse vas deferens
50037587	1	ChEMBL_302930 (CHEMBL830389)	Binding affinity against human vasopressin V1a receptor expressed in CHO cells
50037587	2	ChEMBL_302470 (CHEMBL826335)	Binding affinity against rat vasopressin V1a receptor
50037588	1	ChEMBL_305379 (CHEMBL832894)	In vitro inhibition of human Matrix metalloprotease 2
50037588	2	ChEMBL_305380 (CHEMBL832895)	In vitro inhibition of human Matrix metalloprotease 9
50037588	3	ChEMBL_305106 (CHEMBL832409)	In vitro inhibition of human Matrix metalloprotease 9
50037588	4	ChEMBL_305105 (CHEMBL832408)	In vitro inhibition of human Matrix metalloprotease 2
50037589	1	ChEMBL_321470 (CHEMBL880411)	Inhibition of caspase 3 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C
50037589	2	ChEMBL_321471 (CHEMBL880412)	Inhibition of caspase 8 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C
50037589	3	ChEMBL_321472 (CHEMBL880413)	Inhibition of caspase-1 using fluorogenic substrate and BMG Fluostar plate reader for 30 min at 37 degree C
50037590	1	ChEMBL_320801 (CHEMBL884756)	Inhibitory activity against Mandelate racemase at pH 7.5 at 25 degree C
50037590	2	ChEMBL_320802 (CHEMBL884757)	Inhibitory activity against Mandelate racemase at pH 8.7 at 25 degree C
50037590	3	ChEMBL_320800 (CHEMBL884755)	Inhibitory activity against Mandelate racemase at pH 6.3 at 25 degree C
50000771	5	ChEMBL_1693526 (CHEMBL4044416)	Reactivation of tabun-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured at 5 to 180 mins by Ellman's method
50000773	1	ChEBML_1693532	Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cAMP addition measured after 60 mins by HTRF method
50000773	2	ChEBML_1693531	Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cAMP addition measured after 60 mins by HTRF method
50000773	3	ChEBML_1693561	Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mins by HTRF method
50037593	1	ChEMBL_320909 (CHEMBL881236)	Binding affinity for human 5-hydroxytryptamine 3 serotonin membrane receptor using [3H]GR-65630
50037593	2	ChEMBL_321014 (CHEMBL871846)	Binding affinity towards human nicotinic acetylcholine receptor alpha 7 expressed in GH4C1 cell using [3H]methyllycaconitine
50037594	1	ChEMBL_321442 (CHEMBL880250)	Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay
50037594	2	ChEMBL_321122 (CHEMBL881382)	Effective concentration against inhibition of Dexamethasone induced glucocorticoid receptor transactivation of mouse mammary tumor virus luciferase gene in HeLa cells
50037594	3	ChEMBL_321436 (CHEMBL880244)	Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay
50037594	4	ChEMBL_321450 (CHEMBL880258)	Binding affinity towards mineralocorticoid receptor using fluorescence polarization competitive binding assay
50037594	5	ChEMBL_322141 (CHEMBL883715)	Effective agonist concentration for transcriptional repression of IL-6 production in IL-1 stimulated human foreskin fibroblasts
50037595	1	ChEMBL_321381 (CHEMBL881759)	Inhibitory concentration against glycogen phosphorylase of rabbit muscle
50037596	1	ChEMBL_320878 (CHEMBL884803)	Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 2
50037596	2	ChEMBL_320879 (CHEMBL884804)	Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1
50037597	1	ChEMBL_321382 (CHEMBL881760)	In vitro inhibitory activity against 15-lipoxygenase obtained from soybean
50037597	2	ChEMBL_321318 (CHEMBL882588)	In vitro inhibitory activity against ovine cyclooxygenase 2
50037597	3	ChEMBL_321312 (CHEMBL881408)	In vitro inhibitory activity against ovine cyclooxygenase 1
50037597	4	ChEMBL_321375 (CHEMBL881519)	In vitro inhibitory activity against 5-lipoxygenase obtained from potato
50037598	1	ChEMBL_320960 (CHEMBL885367)	Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin
50037599	1	ChEMBL_321526 (CHEMBL880586)	Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane
50037601	1	ChEMBL_321369 (CHEMBL881513)	Inhibitory concentration against rabbit muscle glycogen phosphorylase
50037601	2	ChEMBL_321348 (CHEMBL880662)	Inhibitory concentration against rat liver glycogen phosphorylase
50037602	1	ChEMBL_320742 (CHEMBL881215)	Binding affinity for human heat shock protein 90 in scintillation proximity assay
50037603	1	ChEMBL_321447 (CHEMBL880255)	Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase; 0.2 - 2.4 uM
50037603	2	ChEMBL_321393 (CHEMBL880628)	Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase
50037603	3	ChEMBL_320848 (CHEMBL884633)	Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase
50037603	4	ChEMBL_321482 (CHEMBL880423)	Inhibitory concentration against isoprenyl-cysteine carboxyl methyltransferase by Casey method; Range 7 - 14 uM
50037604	1	ChEMBL_321414 (CHEMBL881945)	Inhibition of Mycobacterium tuberculosis detoxification enzyme mycothiol-S-conjugate amidase (MCA)
50037604	4	ChEMBL_321108 (CHEMBL882874)	Effective concentration to inhibit production of hypoxia inducible factor 1-alpha protein
50037604	5	ChEMBL_321096 (CHEMBL882066)	Effective concentration towards farnesoid X receptor (FXR)
50000773	9	ChEMBL_1693545 (CHEMBL4044435)	Displacement of [3H]-dofetilide from recombinant human ERG expressed in HEK293 cells
50000773	4	ChEMBL_1693561 (CHEMBL4044451)	Antagonist activity at human GPR4 expressed in African green monkey COS7 cells assessed as inhibition of pH 6.5-induced cAMP accumulation after 30 mins by HTRF method
50037604	6	ChEMBL_321091 (CHEMBL883694)	Effective concentration towards PPAR delta
50037604	7	ChEMBL_321328 (CHEMBL880612)	Inhibitory concentration against synaptosomes using [3H]PbTx-3
50000773	5	ChEBML_1693544	Antagonist activity at histamine H3 receptor (unknown origin)
50000773	6	ChEBML_1693534	Inhibition of human cathepsin K
50037604	8	ChEMBL_321102 (CHEMBL882868)	Effective concentration against farnesoid X receptor (FXR); range is 5-10 uM
50037604	9	ChEMBL_321337 (CHEMBL880621)	Inhibitory concentration against NADH ubiquinone oxidoreductase
50000773	7	ChEBML_1693533	Antagonist activity at human TDAG8 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation preincubated for 10 mins followed by IBMX addition measured after 15 mins by using batch column chromatography
50037604	10	ChEMBL_321323 (CHEMBL880607)	Inhibitory concentration against synaptosome using [3H]PbTx-3
50037604	11	ChEMBL_321097 (CHEMBL882067)	Effective concentration required to inhibit 5-lipoxygenase by 50%
50037604	12	ChEMBL_321295 (CHEMBL881391)	Inhibitory concentration against alpha IIb beta-3 receptor
50037604	13	ChEMBL_321275 (CHEMBL881281)	Inhibitory concentration against integrin alpha-2b beta3
50037604	15	ChEMBL_321307 (CHEMBL881403)	Inhibitory concentration against FKBP12 receptor
50037604	16	ChEMBL_321244 (CHEMBL881779)	Inhibitory concentration against binding to FKBP12
50037604	17	ChEMBL_321092 (CHEMBL883695)	Effective concentration against PPAR delta receptor
50000773	10	ChEMBL_1693530 (CHEMBL4044420)	Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of pH-induced cAMP accumulation preincubated for 15 mins followed by cAMP addition measured after 60 mins by HTRF method
50037604	19	ChEMBL_321095 (CHEMBL882065)	Effective concentration against farnesoid X receptor (FXR)
50037604	20	ChEMBL_321338 (CHEMBL880622)	Inhibitory concentration against NADH-ubiquinone oxidoreductase
50000774	1	ChEBML_1693579	Inhibition of human full length recombinant PDE4A1A using FAM-cAMP as substrate after 30 mins by fluorescence based spectrophotometric method
50000774	2	ChEMBL_1693579 (CHEMBL4044469)	Inhibition of human full length recombinant PDE4A1A using FAM-cAMP as substrate after 30 mins by fluorescence based spectrophotometric method
50000775	1	ChEBML_1693601	Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiation and measured after 30 mins by densitometry based photo-affinity labeling assay
50000775	2	ChEBML_1693600	Inhibition of human MDR1 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiation and measured after 30 mins by densitometry based photo-affinity labeling assay
50037604	21	ChEMBL_321103 (CHEMBL882869)	Effective concentration towards farnesoid X receptor (FXR); Range is 5-10 uM
50000775	3	ChEMBL_1693601 (CHEMBL4044491)	Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiation and measured after 30 mins by densitometry based photo-affinity labeling assay
50000776	1	ChEBML_1693612	Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay
50037605	1	ChEMBL_321589 (CHEMBL884697)	Inhibition of 17-beta-hydroxysteroid dehydrogenase type 1 expressed in T47D human breast cancer cells using 2 nM [3H]estrone
50037606	1	ChEMBL_320903 (CHEMBL872402)	Binding affinity (low) towards bovine dopamine receptor 1 by using [3H]-SCH- 23390 (0.3 nM) as radioligand
50037606	2	ChEMBL_320995 (CHEMBL872142)	High binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	3	ChEMBL_320979 (CHEMBL872126)	Low binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	4	ChEMBL_320959 (CHEMBL885366)	Binding affinity (high) towards human dopamine receptor 3 against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells
50037606	5	ChEMBL_320974 (CHEMBL885381)	Low binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	6	ChEMBL_320962 (CHEMBL885369)	Binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	7	ChEMBL_320980 (CHEMBL872127)	Binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	8	ChEMBL_320976 (CHEMBL885383)	High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	9	ChEMBL_320859 (CHEMBL884784)	Binding affinity towards porcine dopamine receptor 1 against radioligand [3H]-SCH- 23390
50037606	10	ChEMBL_320970 (CHEMBL885377)	Binding affinity (low) towards human dopamine receptor 2 short against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells
50037606	11	ChEMBL_321094 (CHEMBL882064)	Effective concentration against dopamine D3 receptor
50037606	12	ChEMBL_320968 (CHEMBL885375)	Binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	13	ChEMBL_320984 (CHEMBL872131)	Binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	14	ChEMBL_320992 (CHEMBL872139)	High binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	15	ChEMBL_321093 (CHEMBL883696)	Effective concentration against dopamine D3 receptor
50037606	16	ChEMBL_320991 (CHEMBL872138)	Low binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	17	ChEMBL_320877 (CHEMBL884802)	Binding affinity (low) towards porcine dopamine receptor 1 against radioligand [3H]-SCH- 23390
50037606	18	ChEMBL_320771 (CHEMBL884726)	Ligand efficacy towards dopamine D3 receptor
50037606	19	ChEMBL_320972 (CHEMBL885379)	Binding affinity (low) towards human dopamine receptor 2 (long) against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells
50037606	20	ChEMBL_320981 (CHEMBL872128)	High binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	21	ChEMBL_320994 (CHEMBL872141)	Low binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand
50037606	22	ChEMBL_320967 (CHEMBL885374)	Binding affinity (low) towards human dopamine receptor 2 long against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells
50037606	23	ChEMBL_320969 (CHEMBL885376)	Binding affinity (high) towards human dopamine receptor 2 long against radioligand [3H]spiperone, expressed in Chinese hamster ovary cells
50037606	24	ChEMBL_320905 (CHEMBL871723)	Binding affinity (low) towards porcine dopamine receptor 1 by using [3H]-SCH- 23390 (0.3 nM) as radioligand
50000777	2	ChEMBL_1693639 (CHEMBL4044529)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 7 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	1	ChEMBL_1693640 (CHEMBL4044530)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 8 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	12	ChEMBL_1693634 (CHEMBL4044524)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 4 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	11	ChEMBL_1693637 (CHEMBL4044527)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 5.5 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	5	ChEMBL_1693635 (CHEMBL4044525)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 4.5 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	6	ChEBML_1693629	Inhibition of cathepsin K (unknown origin) peincubated for 5 mins followed by Z-FR-MCA addition by spectrofluorimetric method
50000777	8	ChEMBL_1693632 (CHEMBL4044522)	Uncompetitive inhibition of cathepsin L (unknown origin) peincubated for 30 mins followed by substrate Z-FR-MCA addition measured after 10 mins by spectrofluorimetric method
50000777	3	ChEMBL_1693638 (CHEMBL4044528)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 6 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	7	ChEBML_1693639	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 7 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	13	ChEMBL_1693630 (CHEMBL4044520)	Inhibition of human liver cathepsin L peincubated for 5 mins followed by Z-FR-MCA addition by spectrofluorimetric method
50000777	4	ChEMBL_1693636 (CHEMBL4044526)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 5 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	9	ChEMBL_1693633 (CHEMBL4044523)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 3.5 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000777	10	ChEMBL_1693641 (CHEMBL4044531)	Reversible inhibition of human liver cathepsin L peincubated for 30 mins followed by addition of 9 uM of substrate Z-FR-MCA measured after 10 mins by spectrofluorimetric method
50000779	1	ChEMBL_1693666 (CHEMBL4044556)	Inhibition of 5-LO in fMLP-stimulated human neutrophils by HPLC analysis
50000779	2	ChEBML_1693666	Inhibition of 5-LO in fMLP-stimulated human neutrophils by HPLC analysis
50000779	3	ChEBML_1693647	Inhibition of IDO-1 (unknown origin)
50000780	1	ChEBML_1693686	Inhibition of human Cav3.2 alpha1H expressed in HEK tsA-201 cells at holding potential of -110 mV by whole cell patch clamp method
50000781	1	ChEBML_1693703	Inhibition of human CA1
50000781	2	ChEBML_1693705	Inhibition of human CA9
50000781	3	ChEBML_1693706	Inhibition of human CA12
50000781	4	ChEBML_1693704	Inhibition of human CA2
50000784	1	ChEBML_1693719	Inhibition of porcine kidney cortex aminopeptidase N using Leu-p-nitroanilide as substrate pretreated for 30 mins followed by substrate addition by fluorescence assay
50000785	1	ChEBML_1693733	Inhibition of recombinant full length human DGAT1 expressed in Sf9 insect cells using 1,2-didecanoyl-sn-glycerol as substrate after 60 mins in presence of palmitoyl-1-14C coenzyme A by scintillation counting
50000786	1	ChEMBL_1693780 (CHEMBL4044670)	Inhibition of EHMT2 (unknown origin) preincubated for 15 mins followed by SAM and biotinylated H3K9 peptide addition measured after 30 mins by TR-FRET assay
50000786	2	ChEMBL_1693784 (CHEMBL4044674)	Inhibition of GST-tagged G9a (685 to 1000 residues) (unknown origin) expressed in Escherichia coli BL21 using biotinylated H3 (1to20 residues) as substrate after 60 mins in presence of SAM by fluorescence immunoassay
50037608	1	ChEMBL_320711 (CHEMBL881697)	Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV
50037608	2	ChEMBL_320710 (CHEMBL881696)	Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at 0 mV
50037609	1	ChEMBL_321554 (CHEMBL881968)	In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT
50037610	1	ChEMBL_321562 (CHEMBL882493)	In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT
50000786	3	ChEBML_1693785	Inhibition of EHMT2 (unknown origin)
50000786	4	ChEMBL_1693786 (CHEMBL4044676)	Inhibition of EHMT1 (unknown origin)
50000786	6	ChEMBL_1693779 (CHEMBL4044669)	Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF assay
50000786	5	ChEBML_1693779	Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF assay
50000787	1	ChEMBL_1693818 (CHEMBL4044708)	Inhibition of full length recombinant human N-terminal His-tagged BRR2 helicase activity expressed in baculovirus infected Sf9 cells using 5'-[FITC]-UUCCCCUGCAUAAC-3'/5'-GUUAUGCAGGGGAACCAACGCAUAUCAGUGAGGAUU-3' RNA as substrate after 10 mins in presence of ATP by PAGE analysis
50000787	2	ChEBML_1693813	Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000787	6	ChEMBL_1693813 (CHEMBL4044703)	Inhibition of full length recombinant human N-terminal His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000787	3	ChEBML_1693814	Inhibition of elF4G-induced full length recombinant human N-terminal His6-SUMO-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000787	4	ChEBML_1693815	Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000787	5	ChEBML_1693816	Inhibition of full length recombinant human N-terminal His-FLAG-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50037612	1	ChEMBL_320894 (CHEMBL872393)	Inhibition constant for I-125-IMPY binding to amyloid plaques in Alzheimers disease brain homogenates
50037613	1	ChEMBL_320797 (CHEMBL884752)	Binding inhibition towards human serotonin transporter
50037613	2	ChEMBL_320813 (CHEMBL872348)	Binding inhibition towards human norepinephrine transporter
50037613	3	ChEMBL_320794 (CHEMBL884749)	Binding inhibition towards human dopamine transporter
50037613	4	ChEMBL_320832 (CHEMBL871674)	In vitro binding affinity towards human norepinephrine transporter
50037613	5	ChEMBL_320823 (CHEMBL872358)	In vitro binding inhibition towards human serotonin transporter
50037614	1	ChEMBL_320945 (CHEMBL882464)	Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I
50037614	2	ChEMBL_320957 (CHEMBL885364)	Inhibitory constant against human recombinant Beta-1,4-galactosyltransferase I
50037614	3	ChEMBL_320977 (CHEMBL885384)	Inhibitory constant against human galactosyltransferase using UDP-Gal
50037614	4	ChEMBL_321016 (CHEMBL883649)	Inhibitory constant against human Beta-1,4-galactosyltransferase I using UDP-Gal (0-160 uM)
50037615	1	ChEMBL_321446 (CHEMBL880254)	Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli
50037616	1	ChEMBL_321474 (CHEMBL880415)	Inhibitory concentration against glutamine synthetase incubated at 37 degree C for 20 minutes in pH 7.4
50037616	2	ChEMBL_320773 (CHEMBL884728)	Binding affinity towards glutamine synthetase
50000789	1	ChEBML_1693828	Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluorescence detection based assay
50000789	3	ChEMBL_1693828 (CHEMBL4044718)	Competitive inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluorescence detection based assay
50000789	2	ChEMBL_1693830 (CHEMBL4044720)	Inhibition of coffee beans alpha-galactosidase pre-incubated for 1 hr followed by p-nitrophenyl-alpha-D-galactopyranoside substrate addition by fluorescence detection based assay
50000792	1	ChEBML_1693835	Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assay
50037618	1	ChEMBL_321624 (CHEMBL871633)	Inhibitory concentration against aromatase protein from human placental microsomes using [1-beta-3H]-androstenedione; Competitive inhibition
50037618	2	ChEMBL_321036 (CHEMBL883668)	Inhibition constant against aromatase protein from human placental microsomes using [1-beta-3H]-androstenedione; Competitive inhibition
50037619	1	ChEMBL_320852 (CHEMBL884777)	Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55940
50037619	2	ChEMBL_320853 (CHEMBL884778)	Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940
50037619	3	ChEMBL_320880 (CHEMBL884805)	Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [131I]-(R)-8
50037619	4	ChEMBL_320890 (CHEMBL872389)	Binding affinity towards mouse hippocampal membranes cannabinoid receptor 1 using [3H]SR-141,716A
50037620	1	ChEMBL_321105 (CHEMBL882871)	Concentration required to stimulate binding of [35S]GTP-gamma-S, with G alpha i3
50037620	2	ChEMBL_321106 (CHEMBL882872)	Concentration required to stimulate binding of [35S]GTP-gamma-S, with G alpha o1
50037620	3	ChEMBL_321104 (CHEMBL882870)	Concentration required to stimulate binding of [35S]GTP-gamma-S, with G alpha i1
50000792	2	ChEBML_1693834	Inhibition of human CA1 incubated for 15 mins by stopped-flow CO2 hydration assay
50037621	2	ChEMBL_320744 (CHEMBL881217)	Inhibition constant against 5-HT 1D receptor
50037621	3	ChEMBL_321199 (CHEMBL882123)	Inhibitory concentration against thromboxane A2 synthase
50037621	6	ChEMBL_320749 (CHEMBL881222)	Inhibition constant against histamine H1 receptor
50037621	7	ChEMBL_320735 (CHEMBL881208)	Binding affinity towards peroxisome proliferator activated receptor gamma
50037621	8	ChEMBL_320840 (CHEMBL871682)	Inhibition constant against 5-Hydroxytryptamine 2 receptor in olfactory bulbectomized rat
50037621	9	ChEMBL_321182 (CHEMBL882911)	Inhibitory concentration against v-Abl tyrosine kinase
50037621	10	ChEMBL_320749 (CHEMBL881222)	Inhibition constant against histamine H1 receptor
50037621	11	ChEMBL_321165 (CHEMBL872218)	Inhibitory concentration against dopamine receptor D4
50037621	12	ChEMBL_321161 (CHEMBL885188)	Inhibition constant against norepinephrine transporter
50037621	15	ChEMBL_321234 (CHEMBL881769)	Inhibitory concentration against angiotensin II receptor, type 2
50037621	16	ChEMBL_321196 (CHEMBL882120)	Inhibition constant against arachidonate 5-lipoxygenase 
50037621	17	ChEMBL_321178 (CHEMBL882907)	Inhibitory concentration against neutral endopeptidase
50037621	18	ChEMBL_321197 (CHEMBL882121)	Inhibitory concentration against neurokinin NK1 receptor
50037621	19	ChEMBL_320735 (CHEMBL881208)	Binding affinity towards peroxisome proliferator activated receptor gamma
50037621	20	ChEMBL_321162 (CHEMBL885189)	Inhibitory concentration against acetylcholinesterase
50037621	21	ChEMBL_321161 (CHEMBL885188)	Inhibition constant against norepinephrine transporter
50037621	22	ChEMBL_320733 (CHEMBL880389)	Binding affinity towards peroxisome proliferator activated receptor alpha
50037621	23	ChEMBL_321220 (CHEMBL884639)	Inhibitory concentration against prostaglandin G/H synthase 1
50037621	25	ChEMBL_321233 (CHEMBL881768)	Inhibitory concentration against angiotensin II receptor, type 1
50037621	26	ChEMBL_321179 (CHEMBL882908)	Inhibitory concentration against serotonin transporter
50037621	27	ChEMBL_321232 (CHEMBL881232)	Inhibitory concentration against angiotensin I converting enzyme
50037621	28	ChEMBL_321176 (CHEMBL882905)	Inhibitory concentration against carbonic anhydrase IX
50037621	29	ChEMBL_321213 (CHEMBL882941)	Inhibitory concentration against arachidonate 5-lipoxygenase
50037621	31	ChEMBL_320824 (CHEMBL872359)	Inhibition constant against Dopamine receptor D2 in olfactory bulbectomized rat
50037621	32	ChEMBL_320746 (CHEMBL881219)	Inhibition constant against dopamine receptor D2
50037621	33	ChEMBL_321372 (CHEMBL881516)	Binding affinity towards peroxisome proliferator activated receptor alpha
50037621	34	ChEMBL_321233 (CHEMBL881768)	Inhibitory concentration against angiotensin II receptor, type 1
50037621	35	ChEMBL_321231 (CHEMBL881231)	Inhibitory concentration against 5-hydroxytryptamine 1A receptor
50037621	36	ChEMBL_320746 (CHEMBL881219)	Inhibition constant against dopamine receptor D2
50037621	37	ChEMBL_320764 (CHEMBL884719)	Inhibitory concentration against endothelin receptor type A
50037621	38	ChEMBL_321218 (CHEMBL884637)	Binding affinity towards tachykinin receptor 2
50037621	40	ChEMBL_321139 (CHEMBL872195)	Inhibitory concentration against Src kinase
50037621	41	ChEMBL_321175 (CHEMBL882904)	Inhibitory concentration against carbonic anhydrase II
50037621	43	ChEMBL_320743 (CHEMBL881216)	Inhibition constant against 5-HT 1B receptor
50037621	44	ChEMBL_321221 (CHEMBL884640)	Inhibitory concentration against prostaglandin G/H synthase 2
50037621	45	ChEMBL_321180 (CHEMBL882909)	Inhibitory concentration against tachykinin receptor 1
50037621	46	ChEMBL_320750 (CHEMBL881223)	Inhibition constant against histamine H3 receptor
50037621	48	ChEMBL_321196 (CHEMBL882120)	Inhibition constant against arachidonate 5-lipoxygenase 
50037621	49	ChEMBL_320829 (CHEMBL871671)	Inhibition constant against thromboxane A2 receptor to prostaglandin H2 receptor
50037621	50	ChEMBL_321163 (CHEMBL872216)	Inhibitory concentration against carbonic anhydrase I
50037621	51	ChEMBL_321230 (CHEMBL881230)	Inhibitory concentration against 5-hydroxytryptamine 2 receptor
50037621	53	ChEMBL_320745 (CHEMBL881218)	Binding affinity towards opioid receptor mu 1
50037621	54	ChEMBL_321197 (CHEMBL882121)	Inhibitory concentration against neurokinin NK1 receptor
50037621	56	ChEMBL_321251 (CHEMBL881786)	Inhibitory concentration against platelet activating factor receptor
50037621	58	ChEMBL_321207 (CHEMBL882935)	Inhibitory concentration against endothelin receptor type A
50037621	59	ChEMBL_321208 (CHEMBL882936)	Inhibitory concentration against endothelin receptor type B
50037621	60	ChEMBL_320747 (CHEMBL881220)	Inhibition constant against dopamine transporter
50037621	61	ChEMBL_321206 (CHEMBL882934)	Inhibitory concentration against Cholecystokinin B receptor
50037621	62	ChEMBL_320734 (CHEMBL881207)	Binding affinity towards peroxisome proliferator activated receptor delta
50037621	63	ChEMBL_321141 (CHEMBL872197)	Inhibitory concentration against cathepsin L
50037621	64	ChEMBL_320762 (CHEMBL884576)	Inhibition constant against 5-hydroxytryptamine 1D receptor
50037621	65	ChEMBL_321181 (CHEMBL882910)	Inhibitory concentration against tachykinin receptor 2
50037621	66	ChEMBL_320747 (CHEMBL881220)	Inhibition constant against dopamine transporter
50037621	68	ChEMBL_320748 (CHEMBL881221)	Binding affinity towards imidazoline receptor I-2
50037621	70	ChEMBL_320729 (CHEMBL881715)	Dissociation constant against histamine H1 receptor
50037621	71	ChEMBL_321138 (CHEMBL872194)	Inhibitory concentration against c-Kit
50037621	72	ChEMBL_321145 (CHEMBL872201)	Inhibitory concentration against gastrin receptor
50037621	73	ChEMBL_321210 (CHEMBL882938)	Inhibitory concentration against matrix metalloprotease-1
50037622	1	ChEMBL_320917 (CHEMBL881344)	Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 using [3H]N-methylscopolamine
50037622	2	ChEMBL_320891 (CHEMBL872390)	Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine
50037622	3	ChEMBL_320907 (CHEMBL881234)	Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate
50037623	1	ChEMBL_321033 (CHEMBL883665)	Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 hr at 25 degree C
50037623	2	ChEMBL_321028 (CHEMBL883660)	Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at 25 degree C
50000793	1	ChEBML_1693840	Inhibition of recombinant human HSL expressed in baculovirus infected sf9 insect cells using PNPB as substrate after 5 mins by spectrophotometric analysis
50037624	1	ChEMBL_321350 (CHEMBL881494)	Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells
50037624	2	ChEMBL_321353 (CHEMBL881497)	Inhibitory concentration against human somatostatin receptor type 3 in CHO-K1 cells
50037624	3	ChEMBL_321354 (CHEMBL881498)	Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 cells
50000793	2	ChEBML_1693841	Inhibition of HSL in rat adipocytes assessed as reduction in lipolysis by measuring glycerol concentration incubated for 30 mins by spectrophotometric analysis
50037624	4	ChEMBL_320792 (CHEMBL884747)	Binding affinity towards somatostatin receptor type 4
50037624	5	ChEMBL_320789 (CHEMBL884744)	Binding affinity towards somatostatin receptor type 1
50037624	7	ChEMBL_320793 (CHEMBL884748)	Binding affinity towards somatostatin receptor type 5
50037624	6	ChEMBL_320790 (CHEMBL884745)	Binding affinity towards somatostatin receptor type 2
50037624	8	ChEMBL_320791 (CHEMBL884746)	Binding affinity towards somatostatin receptor type 3
50037625	1	ChEMBL_321012 (CHEMBL871844)	Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX
50037625	3	ChEMBL_321017 (CHEMBL883650)	Binding affinity towards human Adenosine A2b receptor expressed in HEK293 cells using 5 nM [3H]DPCPX
50037625	4	ChEMBL_321018 (CHEMBL883651)	Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680
50037625	5	ChEMBL_320990 (CHEMBL872137)	Binding affinity towards human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA
50037626	1	ChEMBL_321255 (CHEMBL881880)	Inhibitory concentration against kallikrein
50037626	2	ChEMBL_321240 (CHEMBL881775)	Inhibitory concentration against plasmin
50037626	3	ChEMBL_321247 (CHEMBL881782)	Inhibitory concentration against thrombin
50037626	4	ChEMBL_321241 (CHEMBL881776)	Inhibitory concentration against trypsin
50037627	6	ChEMBL_321252 (CHEMBL880930)	Inhibitory concentration against Pregnane X receptor
50037627	8	ChEMBL_320811 (CHEMBL872346)	Inhibitory concentration against Mineralocorticoid receptor
50000795	1	ChEBML_1693897	Inhibition of p97 (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition measured after 60 mins by malachite green dye-based assay
50000795	2	ChEBML_1693898	Inhibition of DDX39A (unknown origin) expressed in Escherichia coli BL21(Rosetta 2) preincubated for 10 mins followed by ATP addition measured after 60 mins by malachite green dye-based assay
50000795	3	ChEBML_1693899	Inhibition of DDX17 (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition measured after 120 mins by malachite green dye-based assay
50000795	4	ChEBML_1693900	Inhibition of DDX3 (unknown origin) preincubated for 10 mins followed by ATP addition by malachite green dye-based assay
50000795	5	ChEBML_1693901	Inhibition of GroEL (unknown origin) expressed in Escherichia coli DH5 alpha preincubated for 10 mins followed by ATP addition by malachite green dye-based assay
50037628	1	ChEMBL_320983 (CHEMBL872130)	Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min)
50037629	1	ChEMBL_325561 (CHEMBL860280)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50037629	2	ChEMBL_325560 (CHEMBL860279)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50037629	3	ChEMBL_325562 (CHEMBL860281)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50037630	1	ChEMBL_325589 (CHEMBL860172)	Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes
50037630	2	ChEMBL_325587 (CHEMBL860170)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes
50037630	3	ChEMBL_325592 (CHEMBL860270)	Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay
50000795	6	ChEBML_1693902	Inhibition of HSPA1A (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition by malachite green dye-based assay
50037631	1	ChEMBL_325768 (CHEMBL863348)	Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor
50037632	5	ChEMBL_325915 (CHEMBL869385)	Inhibition of human dopamine receptor D1
50037632	6	ChEMBL_325909 (CHEMBL869379)	Inhibition of human 5HT7 receptor
50000796	1	ChEBML_1693912	Inhibition of COX-1 in rat peritoneal macrophages assessed as reduction in [125I]-6-Keto-PGF1alpha production using arachidonic acid as substrate pretreated for 30 mins followed by substrate addition measured after 30 mins
50037632	8	ChEMBL_325913 (CHEMBL869383)	Inhibition of human muscarinic receptor M4
50037632	9	ChEMBL_325889 (CHEMBL863246)	Antagonistic activity at mouse CCR1 in CHO-K1 cells
50037632	10	ChEMBL_325907 (CHEMBL869377)	Inhibition of human 5HT3 receptor
50037632	11	ChEMBL_325914 (CHEMBL869384)	Inhibition of human muscarinic receptor M5
50037632	12	ChEMBL_325899 (CHEMBL863364)	Inhibition of human CCR3
50037632	13	ChEMBL_325922 (CHEMBL869392)	Inhibition of human adrenergic alpha-2C receptor
50037632	14	ChEMBL_325902 (CHEMBL863269)	Inhibition of human 5HT1A receptor
50037632	15	ChEMBL_325917 (CHEMBL869387)	Inhibition of human dopamine receptor D3
50037632	16	ChEMBL_325920 (CHEMBL869390)	Inhibition of human adrenergic alpha-2A receptor
50037632	17	ChEMBL_325901 (CHEMBL863268)	Inhibition of human CCR6
50000796	2	ChEBML_1693913	Inhibition of COX-2 in rat peritoneal macrophages assessed as reduction in PGE2 production using radiolabelled-arachidonic acid as substrate pretreated for 30 mins followed by substrate addition measured after 30 mins
50037632	18	ChEMBL_325918 (CHEMBL869388)	Inhibition of human dopamine receptor D4.4
50037632	20	ChEMBL_325906 (CHEMBL869376)	Inhibition of human 5HT2C receptor
50037632	21	ChEMBL_325923 (CHEMBL869393)	Inhibition of human adrenergic beta-1 receptor
50037632	22	ChEMBL_325908 (CHEMBL869378)	Inhibition of human 5HT6 receptor
50037632	23	ChEMBL_325904 (CHEMBL863271)	Inhibition of human 5HT2A receptor
50037632	24	ChEMBL_325900 (CHEMBL863267)	Inhibition of mouse CCR5
50037632	25	ChEMBL_325916 (CHEMBL869386)	Inhibition of human dopamine receptor D2
50037632	27	ChEMBL_325926 (CHEMBL869396)	Inhibition of human kappa opioid receptor
50037632	28	ChEMBL_325911 (CHEMBL869381)	Inhibition of human muscarinic receptor M2
50037632	29	ChEMBL_325912 (CHEMBL869382)	Inhibition of human muscarinic receptor M3
50037632	30	ChEMBL_325898 (CHEMBL863312)	Inhibition of human CCR2b
50037632	31	ChEMBL_325905 (CHEMBL869375)	Inhibition of human 5HT2B receptor
50037632	33	ChEMBL_325910 (CHEMBL869380)	Inhibition of human muscarinic receptor M1
50037632	34	ChEMBL_325903 (CHEMBL863270)	Inhibition of human 5HT1B receptor
50037632	35	ChEMBL_325925 (CHEMBL869395)	Inhibition of human mu opioid receptor
50037633	1	ChEMBL_326008 (CHEMBL869399)	Inhibition of recombinant human AKR1C3
50000798	6	ChEMBL_1694012 (CHEMBL4044902)	Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (1 to 129 residues) (unknown origin) after 10 mins by microscale thermophoresis method
50000798	4	ChEMBL_1694015 (CHEMBL4044905)	Binding affinity to biotinylated BCL6 (unknown origin) by SPR analysis
50000801	6	ChEMBL_1694030 (CHEMBL4044920)	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting
50000802	3	ChEMBL_1694115 (CHEMBL4045005)	Inhibition of human BRD4 bromo domain 2
50000802	4	ChEMBL_1694121 (CHEMBL4045011)	Inhibition of human BRD4 bromo domain 1
50000802	7	ChEMBL_1694131 (CHEMBL4045021)	Inhibition of BRD4 (unknown origin)
50000802	1	ChEMBL_1694129 (CHEMBL4045019)	Inhibition of human BRD4 bromodomain2 by Alphascreen assay
50000803	8	ChEMBL_1694220 (CHEMBL4045110)	Inhibition of human ERG
50000809	3	ChEMBL_1694653 (CHEMBL4045543)	Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in Mouse L(tk-) cell membranes incubated for 120 mins by scintillation counting method
50037634	3	ChEMBL_326055 (CHEMBL864544)	Inhibitory activity against cathepsin B
50000798	3	ChEMBL_1694000 (CHEMBL4044890)	Binding affinity to wild-type avi-tagged BCL6 BTB domain (unknown origin) by SPR analysis
50000798	5	ChEMBL_1694014 (CHEMBL4044904)	Inhibition of C-terminal biotin-labelled BCoR (Arg498 to 514Pro residues) binding to recombinant FLAG-tagged BCL6 BTB (5 to 129 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by ELISA
50000814	4	ChEMBL_1694713 (CHEMBL4045603)	Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-LRRKtide substrate addition after 2 hrs by TR-FRET assay
50000814	5	ChEMBL_1694714 (CHEMBL4045604)	Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate addition after 2 hrs by TR-FRET assay
50000798	2	ChEMBL_1693999 (CHEMBL4044889)	Inhibition of C-terminal biotin-labelled BCoR/wild-type BCL6 BTB domain (unknown origin) protein-protein interaction by ELISA
50000799	1	ChEBML_1694026	Inhibition of human recombinant PIM1 in presence of ATP by ELISA based spectrophotometric analysis
50000801	1	ChEBML_1694030	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by liquid scintillation counting
50000801	2	ChEMBL_1694031 (CHEMBL4044921)	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes
50000801	3	ChEMBL_1694032 (CHEMBL4044922)	Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine
50000801	4	ChEBML_1694032	Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine
50037635	1	ChEMBL_326097 (CHEMBL869404)	Inhibition of cloned human transmembrane, tumor-associated isozyme CA IX
50037635	2	ChEMBL_326095 (CHEMBL869402)	Inhibition of recombinant human cytosolic isozyme CA II
50037635	3	ChEMBL_326096 (CHEMBL869403)	Inhibition of recombinant human mitochondrial isozyme CA VA
50037635	4	ChEMBL_326094 (CHEMBL869401)	Inhibition of recombinant human cytosolic isozyme CA I
50037636	2	ChEMBL_326526 (CHEMBL862731)	Displacement of [3H]kainate from human GLUK7 receptor expressed in HEK293 cells
50037636	4	ChEMBL_326525 (CHEMBL862730)	Displacement of [3H]kainate from rat GLUK6 receptor expressed in HEK293 cells
50037636	6	ChEMBL_326521 (CHEMBL862719)	Antagonism on GLUK5 containing kainate induced depolarization of isolated neonatal rat dorsal root C-fibers
50037637	1	ChEMBL_326537 (CHEMBL863355)	Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells
50000801	5	ChEBML_1694103	Displacement of [125I]-aminopotentidine receptor from histamine H2 receptor (unknown origin)
50037637	4	ChEMBL_326555 (CHEMBL860334)	Displacement of [125I]LVA antagonist from human vasopressin 1b receptor expressed in HEK293-EBNA cells
50037637	5	ChEMBL_326539 (CHEMBL863357)	Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells
50000802	2	ChEBML_1694131	Inhibition of BRD4 (unknown origin)
50000814	2	ChEMBL_1694730 (CHEMBL4045620)	Inhibition wild type LRRK2 (unknown origin) Ser935 phosphorylation in HEK293 cells
50000802	5	ChEBML_1694122	Inhibition of recombinant human HDAC1 after 30 mins by fluorescence assay
50000802	6	ChEMBL_1694130 (CHEMBL4045020)	Inhibition of BRD4 (unknown origin) by fluorescence anisotropy ligand displacement assay
50000803	1	ChEBML_1694216	Antagonist activity at 5-HT2A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50000803	2	ChEBML_1694217	Antagonist activity at adrenergic alpha1A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50000803	3	ChEBML_1694218	Antagonist activity at histamine H1 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50000803	4	ChEBML_1694219	Antagonist activity at 5-HT2C receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50037637	9	ChEMBL_326556 (CHEMBL860427)	Displacement of [125I]LVA antagonist from human vasopressin 2 receptor expressed in HEK293-EBNA cells
50037637	2	ChEMBL_326541 (CHEMBL863361)	Displacement of [125I]OVTA antagonist from rat oxytocin receptor expressed in HEK293-EBNA cells
50000814	3	ChEMBL_1694731 (CHEMBL4045621)	Inhibition LRRK2 G2019S mutant (unknown origin) Ser935 phosphorylation in HEK293 cells
50000803	6	ChEBML_1694215	Agonist activity at 5-HT1A receptor (unknown origin) after 60 mins by Ultra lance cAMP assay
50037637	3	ChEMBL_326543 (CHEMBL863363)	Inhibitory activity against human Oxytocin induced intracellular Calcium mobilization in human Oxytocin receptor transfected HEK293-EBNA cells
50037638	1	ChEMBL_326610 (CHEMBL863453)	Displacement of [3H]pirenzepine from Muscarinic receptor M1
50037638	2	ChEMBL_326609 (CHEMBL863452)	Displacement of [3H]nisoxetine from NET
50037638	3	ChEMBL_326608 (CHEMBL863451)	Displacement of [3H]citalopram from SERT
50037638	4	ChEMBL_326607 (CHEMBL863450)	Displacement of [3H]WIN-from DAT in rat brain membrane
50037639	2	ChEMBL_326643 (CHEMBL868728)	Inhibitory activity against barley beta amylase
50037639	3	ChEMBL_326642 (CHEMBL868756)	Inhibitory activity against Bacillus licheniformis alpha amylase
50037640	1	ChEMBL_326770 (CHEMBL860120)	Inhibitory activity against PDE4B
50037640	4	ChEMBL_326771 (CHEMBL860121)	Inhibitory activity against PDE4C
50037640	5	ChEMBL_326772 (CHEMBL860122)	Inhibitory activity against PDE4D
50037640	6	ChEMBL_326769 (CHEMBL860119)	Inhibitory activity against PDE4A
50000803	7	ChEBML_1694214	Antagonist activity at dopamine D2 receptor (unknown origin) after 60 mins by Ultra lance cAMP assay
50037641	1	ChEMBL_326847 (CHEMBL860442)	Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cells
50037641	2	ChEMBL_326849 (CHEMBL860444)	Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pituitary GH4C1 cells
50037641	3	ChEMBL_326846 (CHEMBL860441)	Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298 cells
50037642	1	ChEMBL_327100 (CHEMBL859836)	Inhibition of binding to human D4 receptor expressed in HEK 293 cells by radioligand binding assay
50037642	2	ChEMBL_327097 (CHEMBL859833)	Inhibition of binding to human D5 receptor expressed in HEK 293 cells by functional calcium assay
50037642	3	ChEMBL_327096 (CHEMBL859832)	Inhibition of binding to human D2L receptor expressed in HEK 293 cells by functional calcium assay
50037642	4	ChEMBL_327099 (CHEMBL859835)	Inhibition of binding to human D2L receptor expressed in HEK 293 cells by radioligand binding assay
50037642	5	ChEMBL_327095 (CHEMBL859830)	Inhibition of binding to human D1 receptor expressed in HEK 293 cells by functional calcium assay
50037642	6	ChEMBL_327098 (CHEMBL859834)	Inhibition of binding to human D1 receptor expressed in HEK 293 cells by radioligand binding assay
50037642	7	ChEMBL_327101 (CHEMBL858784)	Inhibition of binding to human D5 receptor expressed in HEK 293 cells by radioligand binding assay
50037642	8	ChEMBL_327102 (CHEMBL858785)	Inhibition of binding to human D3 receptor expressed in HEK 293 cells by radioligand binding assay
50037643	1	ChEMBL_327805 (CHEMBL869914)	Binding affinity at bRaf kinase in fluorescent ligand displacement assay
50037643	2	ChEMBL_327804 (CHEMBL869911)	Inhibition bRaf kinase activity
50037644	1	ChEMBL_327856 (CHEMBL863986)	Binding affinity to human muscarinic M2 receptor
50037644	2	ChEMBL_327855 (CHEMBL863985)	Binding affinity to human muscarinic M3 receptor
50037645	1	ChEMBL_328123 (CHEMBL863930)	Inhibitory activity against ACAT in rat macrophages
50037646	1	ChEMBL_328733 (CHEMBL863908)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor
50037646	2	ChEMBL_328734 (CHEMBL863909)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor in presence of hydrolase inhibitor PMSF
50037646	3	ChEMBL_328732 (CHEMBL863907)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor
50037646	4	ChEMBL_328735 (CHEMBL863910)	Inhibitory activity against rat brain FAAH by [14C]anandamide hydrolysis
50037647	1	ChEMBL_329056 (CHEMBL863305)	Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells
50037647	2	ChEMBL_329053 (CHEMBL863299)	Functional activity at rat mGluR4
50037647	3	ChEMBL_329051 (CHEMBL863296)	Activity at rat mGluR5 by measuring intracellular calcium concentration in CHO cells
50037647	4	ChEMBL_329052 (CHEMBL863297)	Activity at human mGluR2 from BHK cells in [35S]GTP-gamma-S stimulation assay
50037647	5	ChEMBL_329054 (CHEMBL863302)	Activity at rat mGluR6 by measuring cAMP formation in CHO cells
50037647	6	ChEMBL_329050 (CHEMBL863005)	Activity at rat mGluR1 by measuring intracellular calcium concentration in CHO cells
50037647	7	ChEMBL_329055 (CHEMBL863304)	Activity at human mGluR7 by measuring cAMP formation in BHK cells
50037647	8	ChEMBL_329057 (CHEMBL863306)	Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells
50037648	1	ChEMBL_329152 (CHEMBL862288)	Inhibition of GAT1 transport activity
50037649	1	ChEMBL_329207 (CHEMBL865817)	Inhibitory activity against cloned human CA1
50037649	2	ChEMBL_329210 (CHEMBL864590)	Inhibitory activity against cloned human CA9
50037649	3	ChEMBL_329208 (CHEMBL865819)	Inhibitory activity against cloned human CA2
50037649	4	ChEMBL_329209 (CHEMBL865822)	Inhibitory activity against CA4 isolated from bovine lung microsomes
50037649	5	ChEMBL_329211 (CHEMBL864594)	Inhibitory activity against cloned human CA12
50037650	1	ChEMBL_329742 (CHEMBL864002)	Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cells
50037650	2	ChEMBL_329744 (CHEMBL864004)	Displacement of [3H]Ro-151788 from human recombinant GABAA alpha3 in combination with beta3gamma2 expressed in L(tk-) cells
50037650	3	ChEMBL_329743 (CHEMBL864003)	Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells
50037650	4	ChEMBL_329745 (CHEMBL864005)	Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells
50037651	1	ChEMBL_329839 (CHEMBL862781)	Effect on [35S]GTP-gamma-S binding to human CB2 receptor
50037651	2	ChEMBL_329835 (CHEMBL854384)	Displacement of [3H]CP-55940 from human CB2 receptor
50037651	3	ChEMBL_329836 (CHEMBL854385)	Displacement of [3H]SR-141716A from human CB1 receptor
50037652	1	ChEMBL_329866 (CHEMBL870599)	Inhibitory activity against tyrosinase
50037653	1	ChEMBL_330092 (CHEMBL863390)	Inhibitory activity against KasB from Mycobacterium tuberculosis H37Rv
50037653	2	ChEMBL_330091 (CHEMBL863389)	Inhibitory activity against FabH from Mycobacterium tuberculosis H37Rv
50037653	3	ChEMBL_330093 (CHEMBL863391)	Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv
50037653	4	ChEMBL_330089 (CHEMBL863311)	Inhibitory activity against FabB from Escherichia coli ANSI
50037653	5	ChEMBL_330090 (CHEMBL863388)	Inhibitory activity against FabH from Escherichia coli ANSI
50037653	6	ChEMBL_330094 (CHEMBL863392)	Inhibitory activity against human FAS1
50037654	4	ChEMBL_330105 (CHEMBL863310)	Activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037654	5	ChEMBL_330099 (CHEMBL858981)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells
50037655	1	ChEMBL_330405 (CHEMBL870656)	Antagonist activity at the mutant MC4R I291A expressed in HEK293 cells by cAMP accumulation
50037655	2	ChEMBL_330393 (CHEMBL853045)	Agonist activity at the mutant MC4R I125A expressed in HEK293 cells by cAMP accumulation
50037655	3	ChEMBL_330395 (CHEMBL853047)	Agonist activity at the mutant MC4R I291A expressed in HEK293 cells by cAMP accumulation
50037655	4	ChEMBL_330378 (CHEMBL870611)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268F expressed in HEK293 cells
50037655	5	ChEMBL_330380 (CHEMBL853032)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287F expressed in HEK293 cells
50037655	6	ChEMBL_330390 (CHEMBL853042)	Agonist activity at the mutant MC4R Y287F expressed in HEK293 cells by cAMP accumulation
50037655	7	ChEMBL_330376 (CHEMBL853024)	Displacement of [125I]NDP-alpha-MSH from human wild type MC4R expressed in HEK293 cells
50037655	8	ChEMBL_330385 (CHEMBL853037)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R I291A expressed in HEK293 cells
50037655	9	ChEMBL_330399 (CHEMBL853051)	Antagonist activity at the mutant MC4R Y287A expressed in HEK293 cells by cAMP accumulation
50037655	10	ChEMBL_330389 (CHEMBL853041)	Agonist activity at the mutant MC4R Y287A expressed in HEK293 cells by cAMP accumulation
50037655	11	ChEMBL_330382 (CHEMBL853034)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184L expressed in HEK293 cells
50037655	12	ChEMBL_330404 (CHEMBL870655)	Antagonist activity at the mutant MC4R I125L expressed in HEK293 cells by cAMP accumulation
50037655	13	ChEMBL_330379 (CHEMBL853031)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287A expressed in HEK293 cells
50037655	14	ChEMBL_330386 (CHEMBL853038)	Agonist activity at the human wild type MC4R expressed in HEK293 cells by cAMP accumulation
50037655	15	ChEMBL_330396 (CHEMBL853048)	Antagonist activity at the human wild type MC4R expressed in HEK293 cells by cAMP accumulation
50037655	16	ChEMBL_330384 (CHEMBL853036)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R I129A expressed in HEK293 cells
50037655	17	ChEMBL_330377 (CHEMBL870612)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268A expressed in HEK293 cells
50037655	18	ChEMBL_330392 (CHEMBL853044)	Agonist activity at the mutant MC4R F184L expressed in HEK293 cells by cAMP accumulation
50037655	19	ChEMBL_330394 (CHEMBL853046)	Agonist activity at the mutant MC4R I129A expressed in HEK293 cells by cAMP accumulation
50037655	20	ChEMBL_330397 (CHEMBL853049)	Antagonist activity at the mutant MC4R Y268A expressed in HEK293 cells by cAMP accumulation
50037655	21	ChEMBL_330387 (CHEMBL853039)	Agonist activity at the mutant MC4R Y268A expressed in HEK293 cells by cAMP accumulation
50037655	22	ChEMBL_330381 (CHEMBL853033)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184A expressed in HEK293 cells
50037655	23	ChEMBL_330383 (CHEMBL853035)	Displacement of [125I]NDP-alpha-MSH from mutant MC4R I125A expressed in HEK293 cells
50037655	24	ChEMBL_330400 (CHEMBL853052)	Antagonist activity at the mutant MC4R Y287F expressed in HEK293 cells by cAMP accumulation
50037655	25	ChEMBL_330398 (CHEMBL853050)	Antagonist activity at the mutant MC4R Y268F expressed in HEK293 cells by cAMP accumulation
50037655	26	ChEMBL_330391 (CHEMBL853043)	Agonist activity at the mutant MC4R F184A expressed in HEK293 cells by cAMP accumulation
50037655	27	ChEMBL_330388 (CHEMBL853040)	Agonist activity at the mutant MC4R Y268F expressed in HEK293 cells by cAMP accumulation
50037655	28	ChEMBL_330401 (CHEMBL870652)	Antagonist activity at the mutant MC4R F184A expressed in HEK293 cells by cAMP accumulation
50037655	29	ChEMBL_330402 (CHEMBL870653)	Antagonist activity at the mutant MC4R F184L expressed in HEK293 cells by cAMP accumulation
50037655	30	ChEMBL_330403 (CHEMBL870654)	Antagonist activity at the mutant MC4R I125A expressed in HEK293 cells by cAMP accumulation
50037656	1	ChEMBL_330571 (CHEMBL871146)	Displacement of [3H]SR141716A from human CB1 receptor
50037656	2	ChEMBL_330572 (CHEMBL871147)	Potency at human CB1 receptor in a [35S]GTP-gamma-S functional assay
50037656	3	ChEMBL_330574 (CHEMBL871152)	Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum
50037657	2	ChEMBL_420090 (CHEMBL873733)	In vitro inhibition constant for Aurora-C
50037657	4	ChEMBL_420088 (CHEMBL873731)	In vitro inhibition constant for Aurora-A
50000804	1	ChEBML_1694495	Binding affinity to F2a (unknown origin)
50000804	2	ChEBML_1694494	Binding affinity to F10a (unknown origin)
50000804	3	ChEBML_1694493	Binding affinity to F7a (unknown origin)
50000804	4	ChEBML_1694491	Inhibition of human F11a using peptide substrate by spectrophotometry
50037657	5	ChEMBL_330900 (CHEMBL862114)	Inhibitory activity against p38-alpha MAPK
50037657	6	ChEMBL_330893 (CHEMBL860874)	Inhibitory activity against EGFR
50037657	8	ChEMBL_330902 (CHEMBL862117)	Inhibitory activity against SRC
50037657	9	ChEMBL_420091 (CHEMBL873734)	In vitro inhibition constant for FLT-3
50037657	10	ChEMBL_330897 (CHEMBL862106)	Inhibitory activity against JAK3
50037657	11	ChEMBL_330894 (CHEMBL862053)	Inhibitory activity against FAK
50037657	12	ChEMBL_330892 (CHEMBL860873)	Inhibitory activity against CSK
50037657	13	ChEMBL_420095 (CHEMBL873738)	Inhibition of in vitro Plk1 kinase activity
50037657	17	ChEMBL_420088 (CHEMBL873731)	In vitro inhibition constant for Aurora-A
50037657	18	ChEMBL_330899 (CHEMBL862111)	Inhibitory activity against KDR
50037657	19	ChEMBL_420092 (CHEMBL873735)	Inhibition of in vitro Aurora-A kinase activity
50037657	20	ChEMBL_330896 (CHEMBL862104)	Inhibitory activity against IGFR
50037657	21	ChEMBL_330898 (CHEMBL862110)	Inhibitory activity against JNK1alpha
50000805	1	ChEBML_1694570	Antagonist activity at rat His-tagged EP1 receptor expressed in African green monkey COS1 cells assessed as reduction in PGE2-induced increase in intracellular calcium level preincubated for 60 secs followed by PGE2 addition measured for 60 secs by Fluo 4-AM dye-based fluorescence assay
50037657	22	ChEMBL_330885 (CHEMBL862040)	Inhibitory activity against human hERG receptor
50037657	23	ChEMBL_330891 (CHEMBL860872)	Inhibitory activity against CDK2
50037658	2	ChEMBL_331401 (CHEMBL867043)	Displacement of [3H]17beta-estradiol from ERalpha
50037658	3	ChEMBL_331402 (CHEMBL867044)	Displacement of [3H]17beta-estradiol from ERbeta
50037659	1	ChEMBL_332082 (CHEMBL858802)	Binding affinity to dopamine receptor D1
50037659	4	ChEMBL_332073 (CHEMBL859606)	Agonism at 5HT4 receptor in rat tunica muscularis mucosa
50037659	7	ChEMBL_332083 (CHEMBL858805)	Binding affinity to dopamine receptor D2
50037659	8	ChEMBL_332086 (CHEMBL858808)	Binding affinity to adrenergic beta-1 receptor
50037659	11	ChEMBL_332071 (CHEMBL859603)	Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum
50000806	1	ChEBML_1694634	Inhibition of bovine liver DHFR
50000807	1	ChEBML_1694635	Inhibition of human CA1 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay
50000807	2	ChEBML_1694636	Inhibition of human CA2 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay
50037660	1	ChEMBL_332772 (CHEMBL859110)	Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERalpha
50037660	2	ChEMBL_332775 (CHEMBL859226)	Inhibitory activity against AR
50037660	3	ChEMBL_332769 (CHEMBL865276)	Binding affinity to human ERalpha
50037660	4	ChEMBL_332770 (CHEMBL859108)	Binding affinity to human ERbeta
50037660	5	ChEMBL_332773 (CHEMBL859111)	Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbeta
50037662	1	ChEMBL_333144 (CHEMBL865906)	Inhibition of mu opioid receptor
50037662	2	ChEMBL_333146 (CHEMBL865923)	Inhibition of reuptake of Norepinephrine
50037662	3	ChEMBL_333145 (CHEMBL865913)	Inhibition of reuptake of 5HT
50037663	1	ChEMBL_333218 (CHEMBL858976)	Displacement of [3H]HU243 from CB1 receptor in Sabra rat brain
50037664	1	ChEMBL_333617 (CHEMBL864130)	Inhibition of 17-beta HSD1 in T47D cells
50000807	3	ChEBML_1694637	Inhibition of human CA9 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay
50000807	4	ChEBML_1694638	Inhibition of human CA12 pre-incubated for 10 mins by stopped-flow CO2 hydrase assay
50037666	1	ChEMBL_334042 (CHEMBL862402)	Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells
50037666	2	ChEMBL_334046 (CHEMBL861268)	Antagonism of AVP-induced response at V1a receptor in isolated rat tail arteries
50037666	3	ChEMBL_334038 (CHEMBL862398)	Displacement of [3H]AVP from human V1a receptor expressed in CHO cells
50037666	4	ChEMBL_334037 (CHEMBL862397)	Binding to human V2 receptor expressed in LV2 cells by cAMP production
50037666	5	ChEMBL_334047 (CHEMBL861269)	Antagonism of OT-induced response at OT receptor in rat uterine strips
50037667	1	ChEMBL_334242 (CHEMBL861887)	Binding affinity to Bacillus subtilis DNA polymerase3C
50037668	1	ChEMBL_334483 (CHEMBL862512)	Inhibition of erbB1 fusion protein expressed in baculovirus by ELISA
50037668	2	ChEMBL_334485 (CHEMBL862514)	Inhibition of erbB4 fusion protein expressed in baculovirus by ELISA
50037668	3	ChEMBL_334487 (CHEMBL862521)	Inhibition of HER stimulated human erbB autophosphorylation in MDA-MB-453 cells
50037668	4	ChEMBL_334486 (CHEMBL862515)	Inhibition of EGF stimulated human erbB1 autophosphorylation in NIH3T3 cells
50037668	5	ChEMBL_334484 (CHEMBL862513)	Inhibition of erbB2 fusion protein expressed in baculovirus by ELISA
50037668	6	ChEMBL_334491 (CHEMBL862531)	Inhibition of ligand stimulated erbB2 autophosphorylation in T24 NIH cells
50037668	8	ChEMBL_334488 (CHEMBL862523)	Inhibition of PDGF receptor
50037668	9	ChEMBL_334490 (CHEMBL862525)	Inhibition of insulin receptor
50037669	2	ChEMBL_334615 (CHEMBL862522)	Inhibitory activity against thrombin
50000808	1	ChEBML_1694650	Inhibition of P2Y12 in human platelet rich plasma assessed as reduction in ADP-induced platelet aggregation pre-incubated before ADP addition and measured after 10 mins by Bruker spectrophotometry
50037670	1	ChEMBL_334641 (CHEMBL854110)	Inhibition of human recombinant FVIIa/TF complex
50037670	2	ChEMBL_334642 (CHEMBL854113)	Inhibition of FIIa
50037671	1	ChEMBL_334926 (CHEMBL859238)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells
50037671	2	ChEMBL_334924 (CHEMBL859233)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells
50037671	3	ChEMBL_334931 (CHEMBL859246)	Inhibitory activity against 5HT1B
50037671	4	ChEMBL_334932 (CHEMBL859252)	Inhibitory activity against 5HT1C
50037671	5	ChEMBL_334928 (CHEMBL859243)	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells
50037671	6	ChEMBL_334927 (CHEMBL859242)	Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells
50037671	7	ChEMBL_334925 (CHEMBL859235)	Inhibition of [3H] dopamine uptake into human DAT expressed in HEK293 cells
50037671	9	ChEMBL_334935 (CHEMBL859255)	Inhibitory activity against dopamine D3
50037671	10	ChEMBL_334933 (CHEMBL859253)	Inhibitory activity against dopamine D1
50037671	11	ChEMBL_334934 (CHEMBL859254)	Inhibitory activity against dopamine D2
50037671	8	ChEMBL_334929 (CHEMBL859244)	Inhibition of [3H] norepinephrine uptake into human NET expressed in HEK293 cells
50037671	12	ChEMBL_334930 (CHEMBL859245)	Inhibitory activity against 5HT1A
50037672	1	ChEMBL_335165 (CHEMBL861287)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells
50037672	3	ChEMBL_335170 (CHEMBL861292)	Agonist activity at delta opioid receptor by inhibition of muscle contraction in electrically stimulated isolated mouse vas deferens
50037672	4	ChEMBL_335171 (CHEMBL861293)	Agonist activity at mu opioid receptor by inhibition of muscle contraction in electrically stimulated isolated guinea pig ileum
50037672	5	ChEMBL_335167 (CHEMBL861289)	Displacement of [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells
50037672	7	ChEMBL_335166 (CHEMBL861288)	Displacement of [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells
50000809	1	ChEBML_1694656	Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis
50000810	1	ChEBML_1694678	Inhibition of PMDM6-F peptide binding to MDM2 binding domain (1 to 118 residues) (unknown origin) by fluorescence polarization binding assay
50000811	1	ChEBML_1694696	Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50037674	1	ChEMBL_336664 (CHEMBL859281)	Inhibition of falcipain2
50037674	2	ChEMBL_336665 (CHEMBL862348)	Inhibition of falcipain3
50037674	3	ChEMBL_336666 (CHEMBL862349)	Inhibition of Leishmania donovani cysteine protease
50037675	1	ChEMBL_337185 (CHEMBL862545)	Inhibition of NECA-stimulated cAMP accumulation in CHO cells expressing human adenosine A2B receptor
50037675	2	ChEMBL_337183 (CHEMBL862543)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50037675	3	ChEMBL_337186 (CHEMBL862546)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in HEK293 cells
50037675	4	ChEMBL_337184 (CHEMBL862544)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells
50037676	1	ChEMBL_338251 (CHEMBL867177)	Activity against human P2Y1-GFP expressed in 1321N1 cells by intracellular calcium increase
50037676	2	ChEMBL_338249 (CHEMBL868347)	Activity against rat P2Y1-GFP transfected in HEK293 cells by intracellular calcium increase
50037676	3	ChEMBL_338250 (CHEMBL868348)	Activity against rat P2Y2-GFP transfected in HEK293 cells by intracellular calcium increase
50000814	1	ChEBML_1694714	Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate addition after 2 hrs by TR-FRET assay
50037676	4	ChEMBL_338252 (CHEMBL867178)	Activity against human P2Y2-GFP expressed in A549 cells by intracellular calcium increase
50037677	1	ChEMBL_338931 (CHEMBL860724)	Inhibition of MT-stimulated ATPase activity of rat cytoplasmic dynein heavy chain motor domain
50037678	1	ChEMBL_340219 (CHEMBL865586)	Inhibitory activity against recombinant human Cathepsin K
50037679	1	ChEMBL_340965 (CHEMBL866517)	Inhibition of HIV1 protease
50037680	1	ChEMBL_341312 (CHEMBL860925)	Inhibition of SSAO in rat lung
50037680	2	ChEMBL_341314 (CHEMBL860927)	Inhibition of recombinant human MAO-B
50037680	3	ChEMBL_341313 (CHEMBL860926)	Inhibition of recombinant human MAO-A
50037681	1	ChEMBL_342367 (CHEMBL860750)	Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-ALK5 by FP assay
50037681	2	ChEMBL_342382 (CHEMBL860674)	Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-p38alpha
50037683	1	ChEMBL_343532 (CHEMBL860702)	Inhibition of human CYP2D6 expressed in Escherichia coli JM109
50000815	2	ChEMBL_1695228 (CHEMBL4046118)	Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate after 30 mins in presence of ATP by TR-FRET assay
50037684	1	ChEMBL_343682 (CHEMBL861092)	Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells
50037684	3	ChEMBL_343683 (CHEMBL861093)	Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells
50037684	4	ChEMBL_343684 (CHEMBL861094)	Displacement of [3H]flumazenil from rat GABA-Aalpha5 receptor plus beta-3-gamma-2 in HEK293 cells
50000820	2	ChEMBL_1695598 (CHEMBL4046488)	Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -50 mV holding potential by by automated patch clamp electrophysiology assay
50000816	1	ChEBML_1695282	Inhibition of AR in Sprague-Dawley rat lens using DL-glyceraldehyde as substrate by spectrophotometric analysis
50000816	2	ChEBML_1695281	Inhibition of aldose reductase (unknown origin)
50000817	1	ChEBML_1695402	Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50037685	1	ChEMBL_344145 (CHEMBL868869)	Binding affinity to NET
50037686	1	ChEMBL_345068 (CHEMBL869622)	Displacement of [3H]GW0385 from HIV1 protease
50037687	2	ChEMBL_346245 (CHEMBL861200)	Inhibitory activity against Fyn
50037687	3	ChEMBL_346251 (CHEMBL861206)	Inhibitory activity against PKC delta
50037687	5	ChEMBL_346242 (CHEMBL861197)	Inhibitory activity against recombinant human KDR
50037687	7	ChEMBL_346254 (CHEMBL864436)	Inhibitory activity against AKT
50037687	8	ChEMBL_346247 (CHEMBL861202)	Inhibitory activity against EphB3
50037687	9	ChEMBL_346253 (CHEMBL864435)	Inhibitory activity against SGK
50037687	10	ChEMBL_346249 (CHEMBL861204)	Inhibitory activity against Erk2
50037687	13	ChEMBL_346246 (CHEMBL861201)	Inhibitory activity against recombinant human EGFR
50037688	1	ChEMBL_347063 (CHEMBL866863)	Inhibition of AChE activity
50037689	1	ChEMBL_347176 (CHEMBL863824)	Inhibition of human recombinant CA2
50037689	2	ChEMBL_347177 (CHEMBL862664)	Inhibition of Helicobacter pylori recombinant CA
50037689	3	ChEMBL_347175 (CHEMBL863823)	Inhibition of human recombinant CA1
50037690	1	ChEMBL_348644 (CHEMBL866258)	Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane
50037690	2	ChEMBL_348646 (CHEMBL866255)	Inhibition of potassium-evoked [3H]norepinephrine release from rat neocortex
50037691	1	ChEMBL_350235 (CHEMBL866264)	Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cells
50037691	2	ChEMBL_350240 (CHEMBL861501)	Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells
50037691	3	ChEMBL_350236 (CHEMBL861496)	Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cells
50037691	4	ChEMBL_350238 (CHEMBL860318)	Displacement of [125I]ABOPX from human adenosine A2B receptor in HEK cells
50037692	1	ChEMBL_351396 (CHEMBL870047)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cells
50037692	2	ChEMBL_351405 (CHEMBL870067)	Activity against human adenosine A3 receptor H272E mutant expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay
50037692	3	ChEMBL_351394 (CHEMBL870046)	Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cells
50037692	4	ChEMBL_351400 (CHEMBL870057)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272D mutant expressed in COS7 cells
50037692	5	ChEMBL_351398 (CHEMBL870052)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94A mutant expressed in COS7 cells
50037692	6	ChEMBL_351399 (CHEMBL868897)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor T94E mutant expressed in COS7 cells
50037692	7	ChEMBL_351407 (CHEMBL870069)	Activity against human wild type adenosine A3 receptor expressed in COS7 cells as measured by accumulation of inositol phosphate by PLC assay
50037692	8	ChEMBL_351401 (CHEMBL870058)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor Q167E mutant expressed in COS7 cells
50000817	2	ChEBML_1695400	Binding affinity to 5HT2c receptor (unknown origin)
50000817	3	ChEBML_1695399	Binding affinity to adenosine 2A receptor (unknown origin)
50000817	4	ChEBML_1695403	Antagonist activity at human OX2R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50037695	1	ChEMBL_353451 (CHEMBL861363)	Inhibition of human recombinant AICAR Tfase
50037695	2	ChEMBL_353450 (CHEMBL861362)	Inhibition of human recombinant GAR Tfase
50037696	1	ChEMBL_353612 (CHEMBL861699)	Antiproliferative activity against MDR human HL60R cell line
50037696	2	ChEMBL_353614 (CHEMBL861701)	Antiproliferative activity against human K562 cell line expressing Bcr-Abl
50037697	1	ChEBML_354132	Inhibition of F10a
50037697	2	ChEBML_354126	Inhibition of thrombin
50037697	3	ChEBML_354131	Inhibition of plasmin
50037697	5	ChEBML_354130	Inhibition of tPA
50037698	1	ChEMBL_354267 (CHEMBL870018)	Inhibition of thrombin by chromogenic assay
50037699	1	ChEMBL_355503 (CHEMBL871193)	Inhibition of HIV1 recombinant integrase
50037699	2	ChEMBL_355513 (CHEMBL863032)	Inhibition of HIV integrase
50037699	3	ChEMBL_355504 (CHEMBL871194)	Inhibition of HIV1 recombinant integrase in pre-integration complex
50037700	1	ChEMBL_356420 (CHEMBL867544)	Inhibition of Plasmodium falciparum recombinant FP2A fused with maltose binding protein
50037700	2	ChEMBL_356421 (CHEMBL867545)	Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein
50037701	1	ChEMBL_357594 (CHEMBL871314)	Activity at human GHS-R1a receptor in rat pituitary cells assessed as GH release
50037702	1	ChEMBL_358378 (CHEMBL854300)	Inhibition of human recombinant PTP1B
50037704	1	ChEMBL_359170 (CHEMBL869329)	Inhibition of trypsin like activity of proteasome
50037704	2	ChEMBL_359171 (CHEMBL869330)	Inhibition of chymotrypsin like activity of proteasome
50037705	1	ChEMBL_359728 (CHEMBL869334)	Inhibition of rat AR-mediated reporter gene expression in COS7 cells
50037706	1	ChEMBL_360810 (CHEMBL866368)	Agonist activity at human recombinant PPARalpha by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells
50037706	2	ChEMBL_360809 (CHEMBL866367)	Agonist activity at human recombinant FXR by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells
50037707	1	ChEMBL_360870 (CHEMBL861162)	Inhibition of dengue2 virus NS3 protease
50037708	1	ChEMBL_360972 (CHEMBL860093)	Inhibition of human recombinant CA7
50037709	1	ChEMBL_361104 (CHEMBL859170)	Inhibition of FabI
50037709	2	ChEMBL_361103 (CHEMBL859169)	Inhibition of FabZ
50037709	3	ChEMBL_361105 (CHEMBL859171)	Inhibition of FabG
50037709	4	ChEMBL_361111 (CHEMBL859177)	Inhibition of FabG in presence of acetoacetyl-CoA
50037709	5	ChEMBL_361112 (CHEMBL859178)	Inhibition of FabG in presence of NADPH
50037710	1	ChEMBL_361955 (CHEMBL859180)	Inhibition of SRC using polyE4Y as substrate
50037710	2	ChEMBL_361956 (CHEMBL859179)	Inhibition of SRC in presence of ATP
50037711	1	ChEMBL_362836 (CHEMBL854246)	Inhibition of human CA2 by 4-nitrophenyl acetate hydrolysis
50037711	2	ChEMBL_362835 (CHEMBL854245)	Inhibition of human CA2 by carbon dioxide hydration
50037711	3	ChEMBL_362834 (CHEMBL854244)	Binding affinity to human CA2 by ThermoFluor assay
50037711	4	ChEMBL_362838 (CHEMBL854248)	Binding affinity to human CA2 at pH 7.4 by ThermoFluor assay
50037711	5	ChEMBL_362837 (CHEMBL854247)	Binding affinity to human CA2 in presence of sodium sulfate and ANS at pH 7.5 by ThermoFluor assay
50037712	1	ChEMBL_363048 (CHEMBL853239)	Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibition of GnRH-induced LH secretion by reporter gene assay
50037713	1	ChEMBL_363882 (CHEMBL863213)	Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells
50037713	2	ChEMBL_363879 (CHEMBL863210)	Activation of human PEPT1 expressed in MDCK cells
50037714	1	ChEMBL_364425 (CHEMBL870233)	Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1
50037714	2	ChEMBL_364426 (CHEMBL870234)	Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5
50037715	1	ChEMBL_364653 (CHEMBL854195)	Inhibition of HIV1 reverse transcriptase Y188C mutant in 293T cells
50037715	2	ChEMBL_364650 (CHEMBL854191)	Inhibition of wild type HIV1 reverse transcriptase in 293T cells
50037715	3	ChEMBL_364651 (CHEMBL854193)	Inhibition of HIV1 reverse transcriptase K103N mutant in 293T cells
50037715	4	ChEMBL_364652 (CHEMBL854194)	Inhibition of HIV1 reverse transcriptase Y181C mutant in 293T cells
50037716	1	ChEMBL_365182 (CHEMBL854190)	Inhibition of human recombinant PTP1B
50000818	1	ChEBML_1695421	Inhibition of re-uptake of [3H]-5-HT at human SERT expressed in HEK293 cells by liquid scintillation counting
50000818	2	ChEBML_1695422	Inhibition of re-uptake of [3H]-NE at human NET expressed in HEK293 cells by liquid scintillation counting
50000818	3	ChEBML_1695423	Inhibition of re-uptake of [3H]-DA at human DAT expressed in HEK293 cells by liquid scintillation counting
50000819	1	ChEBML_1695435	Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting method
50000819	2	ChEBML_1695436	Inhibition of human OCT2 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting method
50000819	3	ChEBML_1695439	Inhibition of OCT3 (unknown origin)
50000819	4	ChEMBL_1695439 (CHEMBL4046329)	Inhibition of OCT3 (unknown origin)
50000820	8	ChEMBL_1695597 (CHEMBL4046487)	Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology assay
50037719	1	ChEMBL_365468 (CHEMBL869094)	Binding affinity to complement C3
50037719	2	ChEMBL_365467 (CHEMBL869093)	Inhibition of complement C3
50037720	1	ChEMBL_365498 (CHEMBL867914)	Upregulation of Hsp70 in SKOV3 cells
50037720	2	ChEMBL_365497 (CHEMBL867913)	Upregulation of Hsp70 in SKBR3 cells
50037720	3	ChEMBL_365496 (CHEMBL867912)	Degradation of Her2 in SKOV3 cells
50000820	6	ChEMBL_1695596 (CHEMBL4046486)	Inhibition of Nav1.7 in adult mouse DRG neurons assessed as inhibition of fast-inactivating TTX-sensitive sodium currents
50037720	5	ChEMBL_365495 (CHEMBL867911)	Degradation of Her2 in SKBR3 cells
50037720	6	ChEMBL_365492 (CHEMBL867908)	Inhibition of BODIPY-AG binding to dog Grp94
50000820	3	ChEBML_1695601	Inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using 7-Benzoyloxy-4-trifluoromethyl coumarin substrate in presence of NADP+ by fluorescence based assay
50037721	1	ChEMBL_365695 (CHEMBL868537)	Activity at human MC1R by cAMP accumulation in SaoS2 cells
50037721	2	ChEMBL_365697 (CHEMBL868539)	Displacement of [125I]NDP-alpha-MSH from human cloned MC4R expressed in HEK293 cells
50037721	3	ChEMBL_365696 (CHEMBL868538)	Activity at human MC4R by cAMP accumulation in SaoS2 cells
50037722	1	ChEMBL_365765 (CHEMBL871418)	Inhibition of c-ABL
50037722	2	ChEMBL_365766 (CHEMBL871419)	Antiproliferative activity against K562 cells expressing Bcr-Abl
50037723	1	ChEMBL_365938 (CHEMBL869699)	Binding affinity to EntE corrected to substrate competition
50037724	1	ChEMBL_366276 (CHEMBL867291)	Displacement of [3H]WIN-35428 from human DAT
50037724	2	ChEMBL_366278 (CHEMBL867297)	Displacement of [3H]paroxetine from human 5HTT
50037724	3	ChEMBL_366277 (CHEMBL867293)	Displacement of [3H]nisoxetine from human NET
50037725	1	ChEMBL_366645 (CHEMBL865967)	Binding affinity to mu opioid receptor
50037725	2	ChEMBL_366649 (CHEMBL864803)	Agonist activity at mu opioid receptor by guinea pig ileum assay
50037725	4	ChEMBL_366648 (CHEMBL865970)	Agonist activity at delta opioid receptor by mouse vas deferens assay
50000820	4	ChEBML_1695590	Inhibition of human CYP2C9
50037726	1	ChEMBL_367038 (CHEMBL866801)	Displacement of [3H]spiperone from human dopamine receptor D3 in CHO cell membrane
50037726	2	ChEMBL_367036 (CHEMBL866799)	Displacement of [3H]spiperone from human dopamine receptor D2(long) in CHO cell membrane
50037726	3	ChEMBL_367039 (CHEMBL866802)	Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell membrane
50037726	4	ChEMBL_367041 (CHEMBL866804)	Displacement of [3H]ketanserin from 5HT2 receptor in porcine cortical membrane
50037726	5	ChEMBL_367035 (CHEMBL864944)	Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal membrane
50037726	7	ChEMBL_367037 (CHEMBL866800)	Displacement of [3H]spiperone from human dopamine receptor D2(short) in CHO cell membrane
50037726	8	ChEMBL_367062 (CHEMBL864790)	Displacement of [3H]7-OH-DPAT from porcine dopamine receptor D2
50037726	9	ChEMBL_367051 (CHEMBL868084)	Activity at human D4.4 receptor expressed in CHOK1 cells assessed as stimulation of [35S]GTP-gammaS binding
50037726	10	ChEMBL_367040 (CHEMBL866803)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in porcine cortical membrane
50037726	11	ChEMBL_367049 (CHEMBL866223)	Activity at human D4.2 receptor assessed as [3H]thymidine incorporation in CHO 10001 cells by mitogenesis assay
50037726	12	ChEMBL_367061 (CHEMBL864789)	Displacement of [3H]7-OH-DPAT from human dopamine receptor D2(long) in CHO cell membrane
50037727	1	ChEMBL_367961 (CHEMBL871110)	Inhibition of [125I]leuprorelin binding to monkey recombinant LHRH receptor expressed in CHO cells
50037727	2	ChEMBL_367960 (CHEMBL871108)	Inhibition of [125I]leuprorelin binding to human recombinant LHRH receptor expressed in CHO cells
50037727	3	ChEMBL_367964 (CHEMBL871113)	Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing human LHRH receptor
50037727	4	ChEMBL_367962 (CHEMBL871111)	Inhibition of [125I]leuprorelin binding to rat anterior pituitary LHRH receptor
50037727	5	ChEMBL_367965 (CHEMBL871114)	Inhibition of LHRH-stimulated arachidonic acid release in CHO cells expressing monkey LHRH receptor
50037727	6	ChEMBL_367963 (CHEMBL871112)	Inhibition of [125I]leuprorelin binding to monkey anterior pituitary LHRH receptor
50037728	1	ChEMBL_368024 (CHEMBL853526)	Inhibition of Akt by fluorescence polarization assay
50037729	1	ChEMBL_368468 (CHEMBL867452)	Inhibition of human recombinant ACC1 expressed in HEK293 cells
50037729	2	ChEMBL_368469 (CHEMBL867453)	Inhibition of human recombinant ACC2 expressed in baculovirus/sf9 system
50037729	3	ChEMBL_368470 (CHEMBL867454)	Inhibitory activity against rat ACC1
50037729	4	ChEMBL_368471 (CHEMBL867455)	Inhibitory activity against rat ACC2
50037730	3	ChEMBL_368940 (CHEMBL869056)	Inhibition of rat liver CYP2E1
50037730	4	ChEMBL_368935 (CHEMBL869046)	Inhibition of Sprague-Dawley rat spleen HO1
50037730	5	ChEMBL_368943 (CHEMBL869062)	Inhibition of rat brain nNOS
50037730	6	ChEMBL_368942 (CHEMBL869061)	Inhibition of rat liver HO2
50037730	7	ChEMBL_368936 (CHEMBL869047)	Inhibition of Sprague-Dawley rat brain HO2
50037730	8	ChEMBL_368941 (CHEMBL869059)	Inhibition of human spleen HO1
50037731	1	ChEMBL_369355 (CHEMBL870894)	Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane
50000820	5	ChEBML_1695592	Inhibition of human recombinant Nav1.7 inactivated state form expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology assay
50000820	1	ChEBML_1695597	Inhibition of human Nav1.5 inactivated state form expressed in HEK293 cells at -60 mV holding potential by by automated patch clamp electrophysiology assay
50037731	2	ChEMBL_369356 (CHEMBL870896)	Inhibition of CYP2D6
50037732	1	ChEMBL_370933 (CHEMBL867243)	Inhibition of HIV1 reverse transcriptase
50037734	1	ChEMBL_373791 (CHEMBL869755)	Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4
50037734	2	ChEMBL_373788 (CHEMBL869752)	Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization
50037734	3	ChEMBL_373786 (CHEMBL869750)	Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization
50037734	4	ChEMBL_373789 (CHEMBL869753)	Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5
50037734	5	ChEMBL_373790 (CHEMBL869754)	Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2
50037734	6	ChEMBL_373785 (CHEMBL869749)	Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization
50037734	7	ChEMBL_373787 (CHEMBL869751)	Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization
50037734	8	ChEMBL_373793 (CHEMBL869757)	Binding affinity to sigma receptor
50037734	9	ChEMBL_373792 (CHEMBL869756)	Binding affinity to muscarinic M3 receptor
50037735	1	ChEMBL_375000 (CHEMBL871450)	Stimulation of [35S]GTP-gamma-S binding at kappa opioid receptor in human brain cortical membrane
50037736	1	ChEMBL_375289 (CHEMBL865405)	Transactivation of PPARgamma in CV1 cells
50037737	1	ChEMBL_375630 (CHEMBL871428)	Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells
50037738	1	ChEMBL_376175 (CHEMBL869308)	Inhibition of rat DAT-mediated [3H]dopamine uptake in CHO cells
50037738	2	ChEMBL_376176 (CHEMBL869312)	Inhibition of rat NET-mediated norepinephrine uptake in CHO cells
50037738	3	ChEMBL_376185 (CHEMBL869322)	Inhibition of [3H]WIN-35428 binding to rat DAT expressed in D8 cells
50037738	4	ChEMBL_376177 (CHEMBL869313)	Inhibition of rat SERT-mediated serotonin uptake in CHO cells
50037738	5	ChEMBL_376178 (CHEMBL869315)	Inhibition of mouse GAT1-mediated gamma-aminobutyric acid uptake in CHO cells
50037739	2	ChEMBL_376242 (CHEMBL869296)	Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells
50037739	3	ChEMBL_376243 (CHEMBL869298)	Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells
50000820	7	ChEBML_1695593	Inhibition of mouse recombinant Nav1.7 inactivated state form expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology assay
50037740	1	ChEMBL_376262 (CHEMBL864773)	Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes
50037740	2	ChEMBL_376266 (CHEMBL864777)	Agonist activity at human 5HT1A receptor expressed in CHO cells by inhibition of 8-OH-DPAT-induced decrease in forskolin-stimulated cAMP production
50037740	3	ChEMBL_376263 (CHEMBL864774)	Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells
50037740	4	ChEMBL_376264 (CHEMBL864775)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50037741	1	ChEMBL_376965 (CHEMBL870327)	Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells
50037741	2	ChEMBL_376964 (CHEMBL870326)	Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells
50037741	3	ChEMBL_376966 (CHEMBL870328)	Displacement of [125I]Tyr3-NT from NTS1R in human exocrine ductal pancreatic carcinoma
50037742	2	ChEMBL_378702 (CHEMBL853450)	Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain
50037742	3	ChEMBL_378704 (CHEMBL853452)	Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain
50000821	8	ChEMBL_1695674 (CHEMBL4046564)	Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay
50000821	9	ChEMBL_1695672 (CHEMBL4046562)	Inhibition of CDK2/CyclinA (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay
50000821	11	ChEMBL_1695678 (CHEMBL4046568)	Inhibition of human CDK1/CyclinB
50000821	13	ChEMBL_1695681 (CHEMBL4046571)	Inhibition of human CDK7/CyclinH/MAT1
50000821	14	ChEMBL_1695680 (CHEMBL4046570)	Inhibition of human CDK6/CyclinD3
50000821	10	ChEMBL_1695679 (CHEMBL4046569)	Inhibition of human CDK4/CyclinD3
50037743	1	ChEMBL_379064 (CHEMBL863614)	Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells
50037743	2	ChEMBL_379068 (CHEMBL864238)	Binding affinity to hERG
50037743	3	ChEMBL_379063 (CHEMBL863613)	Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells
50037743	4	ChEMBL_379062 (CHEMBL863612)	Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells
50037743	5	ChEMBL_379077 (CHEMBL864247)	Inhibition of CYP2C19
50037743	7	ChEMBL_379073 (CHEMBL864243)	Inhibition of CYP2D6
50037743	9	ChEMBL_379075 (CHEMBL864245)	Inhibition of CYP1A2
50037743	10	ChEMBL_379074 (CHEMBL864244)	Inhibition of CYP3A4
50037743	11	ChEMBL_379076 (CHEMBL864246)	Inhibition of CYP2C9
50000821	12	ChEMBL_1695682 (CHEMBL4046572)	Inhibition of human CDK9/CyclinT1
50037744	3	ChEMBL_379381 (CHEMBL864838)	Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells
50037744	2	ChEMBL_379378 (CHEMBL864835)	Inhibition of [3H]glycine uptake at GlyT1
50037744	6	ChEMBL_379391 (CHEMBL864852)	Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method
50037744	1	ChEMBL_379380 (CHEMBL864837)	Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells
50000822	10	ChEMBL_1695699 (CHEMBL4046589)	Inhibition of TYK2 (unknown origin) by biochemical assay
50000822	5	ChEMBL_1695700 (CHEMBL4046590)	Inhibition of JAK2 (unknown origin) by biochemical assay
50037745	1	ChEMBL_381849 (CHEMBL869171)	Inhibition of Methanobacterium thermoautotrophicum ODCase at 55 degreeC by competitive binding assay
50037745	2	ChEMBL_381851 (CHEMBL869173)	Inhibition of Plasmodium falciparum ODCase at 25 degreeC by competitive binding assay
50037745	3	ChEMBL_381850 (CHEMBL869172)	Inhibition of Saccharomyces cerevisiae ODCase at 25 degreeC by competitive binding assay
50037746	1	ChEMBL_382280 (CHEMBL866784)	Activity at rat CaSR in CHO cells assessed as inhibition of calcium ion-induced [3H]inositol phosphate accumulation
50037747	1	ChEMBL_382751 (CHEMBL854530)	Binding affinity to Escherichia coli KPR
50037747	2	ChEMBL_382750 (CHEMBL854529)	Inhibition of Escherichia coli KPR
50037748	2	ChEMBL_384613 (CHEMBL866127)	Displacement of [3H]prazosin from adrenergic alpha-1B receptor in rat liver membranes
50037748	3	ChEMBL_384612 (CHEMBL866126)	Displacement of [3H]prazosin from adrenergic alpha-1A receptor in rat submaxillary gland membranes
50037748	4	ChEMBL_384615 (CHEMBL866129)	Binding affinity to human adrenergic Alpha-1D receptor
50037749	1	ChEMBL_385423 (CHEMBL869194)	Inhibition of Enterococcus faecium AAC(6')Ii
50037750	1	ChEMBL_386443 (CHEMBL864222)	Stimulation of [35S]GTP-gamma-S binding to human recombinant KOR
50037750	2	ChEMBL_386439 (CHEMBL864218)	Stimulation of [35S]GTPgammaS binding to human recombinant MOR
50037750	7	ChEMBL_386434 (CHEMBL854561)	Binding affinity to MOR in guinea pig brain membrane
50037750	8	ChEMBL_386438 (CHEMBL863626)	Binding affinity to KOR in guinea pig brain membrane
50000822	6	ChEBML_1695706	Inhibition of JAK1 (unknown origin)
50000822	7	ChEBML_1695712	Inhibition of CDK2 (unknown origin)
50037751	1	ChEMBL_386918 (CHEMBL853415)	Inhibition of human Eg5 ATPase activity
50037752	1	ChEMBL_388718 (CHEMBL865483)	Binding affinity to human MCH1R
50037752	2	ChEMBL_388719 (CHEMBL865484)	Activity at human MCH1R by GTPgammaS assay
50037753	1	ChEMBL_390293 (CHEMBL869835)	Inhibition of [3H]NA uptake at NA transporter expressed in HEK293 cells
50037753	2	ChEMBL_390292 (CHEMBL869834)	Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells
50037753	3	ChEMBL_390294 (CHEMBL869836)	Inhibition of DA transporter expressed in HEK293 cells
50037754	1	ChEMBL_390599 (CHEMBL871027)	Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex
50000822	8	ChEBML_1695707	Inhibition of JAK3 (unknown origin)
50000822	9	ChEBML_1695713	Inhibition of CDK9 (unknown origin)
50037756	1	ChEMBL_391864 (CHEMBL862448)	Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA
50037756	2	ChEMBL_391866 (CHEMBL862450)	Inhibition of poliovirus RNA dependent RNA polymerase
50037756	3	ChEMBL_391867 (CHEMBL862451)	Inhibition of calf thymus DNA dependent RNA polymerase 2
50037757	2	ChEMBL_392092 (CHEMBL869898)	Agonist activity at delta opioid receptor assessed as inhibition of electrically-evoked contraction of mouse vas deferens
50037757	1	ChEMBL_392093 (CHEMBL869901)	Agonist activity at mu opioid receptor assessed as inhibition of electrically-evoked contraction of guinea pig ileum
50037757	3	ChEMBL_392089 (CHEMBL871072)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50000826	10	ChEMBL_1695897 (CHEMBL4046787)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate after 10 mins by LC-MS/MS analysis
50037757	4	ChEMBL_392088 (CHEMBL871071)	Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50000823	1	ChEBML_1695785	Inhibition of human DNA polymerase alpha
50000823	2	ChEBML_1695789	Inhibition of human mitochondrial RNA polymerase
50000823	3	ChEBML_1695786	Inhibition of human DNA polymerase beta
50000824	1	ChEBML_1695880	Inhibition of wild type recombinant EGFR (unknown origin) by ELISA
50000826	1	ChEBML_1695892	Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization preincubated for 2 mins followed glutamate addition measured by fluorescence assay
50000826	2	ChEBML_1695901	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins by LC-MS/MS analysis
50000826	3	ChEBML_1695902	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC-MS/MS analysis
50037758	2	ChEMBL_392924 (CHEMBL870418)	Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding
50037758	4	ChEMBL_392928 (CHEMBL870422)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50000826	11	ChEMBL_1695906 (CHEMBL4046796)	Inhibition of human ERG
50037758	3	ChEMBL_392923 (CHEMBL870417)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells
50000826	5	ChEBML_1695896	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins by LC-MS/MS analysis
50037758	6	ChEMBL_392927 (CHEMBL870421)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50000826	7	ChEBML_1695898	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 10 mins by LC-MS/MS analysis
50000826	8	ChEBML_1695899	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins by LC-MS/MS analysis
50000826	9	ChEBML_1695900	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 mins by LC-MS/MS analysis
50037759	1	ChEMBL_396272 (CHEMBL910356)	Inhibition of ErbB2
50037759	2	ChEMBL_396273 (CHEMBL910357)	Inhibition of ErbB1
50037760	1	ChEMBL_396903 (CHEMBL862461)	Inhibition of FAS
50037761	1	ChEMBL_397503 (CHEMBL864285)	Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR
50037761	2	ChEMBL_397504 (CHEMBL864286)	Activity at human mGluR1 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR
50000827	5	ChEMBL_1695931 (CHEMBL4046821)	Inhibition of DNA-PK in human HeLa nuclear extracts incubated for 40 mins using calf thymus DNA and fluoroscein-p53[Ser15]-peptide by Lanthascreen time resolved fluorescence assay
50037763	1	ChEMBL_398762 (CHEMBL908034)	Inhibition of human recombinant 17beta-HSD2
50037763	2	ChEMBL_398763 (CHEMBL908035)	Inhibition of estradiol to estrone conversion in MG63 cells
50037764	1	ChEMBL_399494 (CHEMBL855905)	Activity at rat IP3 type 1 receptor expressed in DT40 cell assessed as calcium ion mobilization
50037765	1	ChEMBL_399986 (CHEMBL910860)	Inhibition of Caspase 3
50037765	2	ChEMBL_399982 (CHEMBL910313)	Inhibition of ICE
50037765	3	ChEMBL_399983 (CHEMBL910315)	Inhibition of Caspase 8
50037766	1	ChEMBL_401058 (CHEMBL855268)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate
50037766	2	ChEMBL_401059 (CHEMBL855269)	Displacement of [3H]NOC from human ORL1 receptor expressed in HEK293 cells
50037767	1	ChEMBL_402044 (CHEMBL866173)	Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production
50037767	2	ChEMBL_402048 (CHEMBL867433)	Agonist activity at human recombinant P2Y4 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production
50037767	3	ChEMBL_402047 (CHEMBL867432)	Agonist activity at human recombinant P2Y2 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production
50037768	1	ChEMBL_402833 (CHEMBL908631)	Inhibition of CYP2D6
50037768	2	ChEMBL_402832 (CHEMBL908629)	Binding affinity to MCHR1 by competitive binding assay
50037769	1	ChEMBL_404136 (CHEMBL909746)	Inhibition of f11a
50037769	2	ChEMBL_404138 (CHEMBL909748)	Inhibition of thrombin
50037769	4	ChEMBL_404137 (CHEMBL909747)	Inhibition of f10a
50000827	1	ChEBML_1695936	Inhibition of human PDE3A by HTRF assay
50000827	2	ChEBML_1695941	Inhibition of wild type PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and ATP measured after 60 mins by Kinase-Glo reagent based luminescence assay
50037770	1	ChEMBL_404511 (CHEMBL910894)	Inhibition of CDK6
50037770	2	ChEMBL_404563 (CHEMBL910946)	Inhibition of PRAK
50037770	4	ChEMBL_404566 (CHEMBL910949)	Inhibition of RSK2
50037770	5	ChEMBL_404510 (CHEMBL910893)	Inhibition of CDK2
50037770	6	ChEMBL_404570 (CHEMBL910952)	Inhibition of SAPK4
50037770	7	ChEMBL_404555 (CHEMBL910938)	Inhibition of PKCgamma
50037770	8	ChEMBL_404549 (CHEMBL910932)	Inhibition of PDK1
50037770	9	ChEMBL_404548 (CHEMBL910931)	Inhibition of PDGFRbeta
50037770	10	ChEMBL_404507 (CHEMBL910890)	Inhibition of CDK4
50037770	11	ChEMBL_404522 (CHEMBL910905)	Inhibition of c-RAF
50037770	12	ChEMBL_404546 (CHEMBL910929)	Inhibition of PAK2
50037770	13	ChEMBL_404518 (CHEMBL910901)	Inhibition of Bmx kinase
50037770	14	ChEMBL_404527 (CHEMBL910910)	Inhibition of FLT1
50037770	15	ChEMBL_404526 (CHEMBL910909)	Inhibition of KDR
50037770	16	ChEMBL_404528 (CHEMBL910911)	Inhibition of FGFR1
50037770	17	ChEMBL_404554 (CHEMBL910937)	Inhibition of PKCbeta2
50037770	18	ChEMBL_404538 (CHEMBL910921)	Inhibition of MAPKAPK2
50037770	19	ChEMBL_404540 (CHEMBL910923)	Inhibition of MAPK2
50037770	22	ChEMBL_404513 (CHEMBL910896)	Inhibition of Abl kinase
50037770	23	ChEMBL_404552 (CHEMBL910935)	Inhibition of PKBgamma
50037770	24	ChEMBL_404551 (CHEMBL910934)	Inhibition of PKBbeta
50037770	25	ChEMBL_404547 (CHEMBL910930)	Inhibition of PDGFRalpha
50037770	27	ChEMBL_404569 (CHEMBL910953)	Inhibition of SAPK2beta
50037770	28	ChEMBL_404542 (CHEMBL910925)	Inhibition of MKK4
50037770	29	ChEMBL_404564 (CHEMBL910947)	Inhibition of PRK2
50037770	30	ChEMBL_404544 (CHEMBL910927)	Inhibition of MKK6
50037770	31	ChEMBL_404559 (CHEMBL910942)	Inhibition of PKCiota
50037770	32	ChEMBL_404531 (CHEMBL910914)	Inhibition of IGF1R
50037770	33	ChEMBL_404535 (CHEMBL910918)	Inhibition of JNK1alpha1
50037770	34	ChEMBL_404529 (CHEMBL910912)	Inhibition of FGFR2
50037770	35	ChEMBL_404572 (CHEMBL910957)	Inhibition of Syk
50037770	36	ChEMBL_404516 (CHEMBL910899)	Inhibition of Axl kinase
50037770	37	ChEMBL_404568 (CHEMBL910951)	Inhibition of SAPK3
50037770	38	ChEMBL_404541 (CHEMBL910924)	Inhibition of MEK1
50037770	39	ChEMBL_404521 (CHEMBL910904)	Inhibition of Chk1
50037770	40	ChEMBL_404558 (CHEMBL910941)	Inhibition of PKCepsilon
50037770	41	ChEMBL_404525 (CHEMBL910908)	Inhibition of ERK1
50037770	42	ChEMBL_404561 (CHEMBL910944)	Inhibition of PKCmu
50037770	43	ChEMBL_404536 (CHEMBL910919)	Inhibition of JNK2alpha2
50037770	44	ChEMBL_404517 (CHEMBL910900)	Inhibition of Blk kinase
50037770	47	ChEMBL_404533 (CHEMBL910916)	Inhibition of IKK-beta
50037770	48	ChEMBL_404534 (CHEMBL910917)	Inhibition of JNK3
50037770	49	ChEMBL_404523 (CHEMBL910906)	Inhibition of CSK
50037770	50	ChEMBL_404537 (CHEMBL910920)	Inhibition of LYN
50037770	51	ChEMBL_404512 (CHEMBL910895)	Inhibition of GSK3-beta
50037770	52	ChEMBL_404515 (CHEMBL910898)	Inhibition of Aurora-A
50000827	3	ChEBML_1695934	Inhibition of human DNA-PK catalytic subunit using DNA and [EPPLSQEAFADLWKK] peptide substrate by HTRF assay
50037770	54	ChEMBL_404574 (CHEMBL910955)	Inhibition of ZAP70
50037770	55	ChEMBL_404532 (CHEMBL910915)	Inhibition of IKKalpha
50037770	56	ChEMBL_404556 (CHEMBL910939)	Inhibition of PKBalpha
50037770	57	ChEMBL_404543 (CHEMBL910926)	Inhibition of MKK7beta
50000827	4	ChEMBL_1695934 (CHEMBL4046824)	Inhibition of human DNA-PK catalytic subunit using DNA and [EPPLSQEAFADLWKK] peptide substrate by HTRF assay
50037770	59	ChEMBL_404545 (CHEMBL910928)	Inhibition of p706SK
50037770	60	ChEMBL_404519 (CHEMBL910902)	Inhibition of CamK IV
50037770	61	ChEMBL_404571 (CHEMBL910956)	Inhibition of SGK
50037770	62	ChEMBL_404530 (CHEMBL910913)	Inhibition of FGFR3
50037770	63	ChEMBL_404565 (CHEMBL910948)	Inhibition of ROCK2
50037770	64	ChEMBL_404573 (CHEMBL910954)	Inhibition of Tie2
50037770	65	ChEMBL_404514 (CHEMBL910897)	Inhibition of Arg kinase
50037770	66	ChEMBL_404557 (CHEMBL910940)	Inhibition of PKCdelta
50037770	67	ChEMBL_404567 (CHEMBL910950)	Inhibition of SAPK2alpha
50037771	1	ChEMBL_405298 (CHEMBL869858)	Inhibition of human cathepsin D
50000831	3	ChEMBL_1696006 (CHEMBL4046896)	Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition measured over 45 mins at 27 secs intervals by UV/Vis based spectroscopy
50000828	1	ChEBML_1695945	Inhibition of Pin1 (unknown origin) assessed as reduction in peptidyl-prolyl isomerase activity incubated for 30 mins using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide substrate by protease coupled assay
50037773	1	ChEMBL_410402 (CHEMBL911222)	Inhibition of bovine erythrocyte AChE after 45 mins
50037773	2	ChEMBL_410400 (CHEMBL911220)	Inhibition of human erythrocyte AChE
50037773	3	ChEMBL_410401 (CHEMBL911221)	Inhibition of bovine erythrocyte AChE
50037773	4	ChEMBL_410403 (CHEMBL911223)	Inhibition of human serum BChE
50037773	5	ChEMBL_410404 (CHEMBL911226)	Binding affinity to human AChE
50037774	1	ChEMBL_410539 (CHEMBL911248)	Displacement of [3H]SCH-23390 from dopamine D1-like receptor in porcine striata homogenate
50037774	3	ChEMBL_410543 (CHEMBL912413)	Activity at rat dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production
50037774	4	ChEMBL_410540 (CHEMBL911249)	Displacement of [3H]spiperone from dopamine D2-like receptor in porcine striata homogenate
50037774	5	ChEMBL_410550 (CHEMBL912420)	Binding affinity to human cloned dopamine D4 receptor
50037774	6	ChEMBL_410553 (CHEMBL912422)	Binding affinity to human cloned adrenergic alpha 2C receptor receptor
50037774	7	ChEMBL_410548 (CHEMBL912418)	Binding affinity to human cloned dopamine D2 receptor
50037774	8	ChEMBL_410547 (CHEMBL912417)	Binding affinity to human cloned dopamine D1 receptor
50037774	9	ChEMBL_410551 (CHEMBL911251)	Binding affinity to human cloned adrenergic alpha 2A receptor
50037774	10	ChEMBL_410550 (CHEMBL912420)	Binding affinity to human cloned dopamine D4 receptor
50037774	11	ChEMBL_410541 (CHEMBL910610)	Activity at human dopamine D1 receptor expressed in HEK293 cells assessed as stimulation of cAMP production
50037774	12	ChEMBL_410554 (CHEMBL855594)	Binding affinity to human cloned dopamine D5 receptor
50037774	13	ChEMBL_410549 (CHEMBL912419)	Binding affinity to human cloned dopamine D3 receptor
50037776	1	ChEMBL_411597 (CHEMBL907248)	Inhibition of HCV NS5B RNA polymerase
50037778	1	ChEMBL_413300 (CHEMBL911821)	Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA
50037778	2	ChEMBL_413303 (CHEMBL911824)	Agonist activity at rat P2Y6 receptor assessed as IP accumulation by SPA
50037778	3	ChEMBL_413294 (CHEMBL907213)	Agonist activity at human P2Y2 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA
50037778	4	ChEMBL_413297 (CHEMBL912410)	Agonist activity at human P2Y4 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA
50000829	1	ChEBML_1695949	Inhibition of IL6 (unknown origin)
50000829	2	ChEBML_1695950	Inhibition of TNFalpha (unknown origin)
50037779	1	ChEMBL_414098 (CHEMBL908314)	Inhibition of human PNP activity
50000830	1	ChEBML_1695966	Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric enzyme immune assay
50037780	1	ChEMBL_414435 (CHEMBL907197)	Displacement of [125I]IMSB from beta amyloid protein 40
50037780	2	ChEMBL_414434 (CHEMBL907196)	Displacement of [125I]IMPY from beta amyloid protein 40
50037781	1	ChEMBL_414848 (CHEMBL855029)	Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain
50037781	2	ChEMBL_414849 (CHEMBL855031)	Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen
50037781	3	ChEMBL_414851 (CHEMBL855034)	Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in DBA/J2 mouse brain
50037782	1	ChEMBL_414989 (CHEMBL909478)	Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrium
50037783	5	ChEMBL_416468 (CHEMBL907181)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate
50000830	2	ChEBML_1695967	Inhibition of recombinant human COX2 using arachidonic acid as substrate by colorimetric enzyme immune assay
50037783	7	ChEMBL_416469 (CHEMBL907182)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate
50037783	8	ChEMBL_416464 (CHEMBL907786)	Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells
50037783	1	ChEMBL_416463 (CHEMBL907785)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells
50000831	1	ChEMBL_1696005 (CHEMBL4046895)	Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by UV/Vis spectroscopy
50000831	2	ChEBML_1696006	Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition measured over 45 mins at 27 secs intervals by UV/Vis based spectroscopy
50037783	10	ChEMBL_416471 (CHEMBL907184)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in C6 cells
50000832	3	ChEMBL_1696020 (CHEMBL4046910)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50000832	1	ChEBML_1696020	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50037783	12	ChEMBL_416472 (CHEMBL907185)	Displacement of [3H]diprenorphine from human recombinant kappa opioid receptor expressed in C6 cells
50037784	1	ChEMBL_417449 (CHEMBL911202)	Binding affinity to poliovirus RNA dependent RNA polymerase
50037785	1	ChEMBL_418046 (CHEMBL911774)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain
50037785	2	ChEMBL_418044 (CHEMBL911772)	Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain
50037785	3	ChEMBL_418047 (CHEMBL911775)	Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain
50037785	4	ChEMBL_418048 (CHEMBL911776)	Displacement of [3H]pirenzepine from M1 receptor in Sprague-Dawley rat brain
50037785	5	ChEMBL_418045 (CHEMBL911773)	Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat brain
50037786	1	ChEMBL_422136 (CHEMBL907072)	Inhibition of HDAC1 (mean IC50)
50037786	2	ChEMBL_422129 (CHEMBL907065)	Inhibition of HDAC8 (mean IC50)
50037786	3	ChEMBL_422134 (CHEMBL907070)	Inhibition of HDAC5 (mean IC50)
50037786	4	ChEMBL_422131 (CHEMBL907067)	Inhibition of HDAC3 (mean IC50)
50037786	5	ChEMBL_422133 (CHEMBL907069)	Inhibition of HDAC6 (mean IC50)
50037786	6	ChEMBL_422135 (CHEMBL907071)	Inhibition of HDAC7 (mean IC50)
50037786	7	ChEMBL_422130 (CHEMBL907066)	Inhibition of HDAC2 (mean IC50)
50037786	8	ChEMBL_422132 (CHEMBL907068)	Inhibition of HDAC4 (mean IC50)
50037787	1	ChEMBL_422169 (CHEMBL856466)	Displacement of FITC-Fg from integrin alpha2beta3 receptor expressed in human activated platelets
50037788	1	ChEMBL_422300 (CHEMBL906990)	Antagonist activity against FXR assessed as transactivation of luciferase reporter gene in CV1 cells
50037789	2	ChEMBL_422423 (CHEMBL909299)	Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells
50037789	3	ChEMBL_422422 (CHEMBL909298)	Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells
50000832	2	ChEBML_1696021	Positive allosteric modulation of rat M4 receptor assessed as increase in acetylcholine-induced response
50000834	12	ChEMBL_1696084 (CHEMBL4046974)	Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes
50000833	1	ChEBML_1696048	Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl-XL (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 peptide for 20 mins by fluorescence polarization assay
50000833	2	ChEBML_1696047	Inhibition of 5-FAM-Bid-BH3 peptide binding to Bcl2 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 peptide for 20 mins by fluorescence polarization assay
50000833	3	ChEBML_1696049	Inhibition of 5-FAM-Bid-BH3 peptide binding to Mcl1 (unknown origin) pre-incubated for 30 mins followed by further incubation with 5-FAM-Bid-BH3 peptide for 20 mins by fluorescence polarization assay
50000834	1	ChEBML_1696085	Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes
50000834	13	ChEMBL_1696086 (CHEMBL4046976)	Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes
50000834	14	ChEMBL_1696089 (CHEMBL4046979)	Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1
50000834	15	ChEMBL_1696087 (CHEMBL4046977)	Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes
50000834	5	ChEMBL_1696083 (CHEMBL4046973)	Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes
50000834	4	ChEMBL_1696093 (CHEMBL4046983)	Agonist activity at human D2SR expressed in HEK293 cell membranes co-expressing PTX insensitive variant of Galphao1 incubated for 30 mins by [35S]GTP-gammaS binding assay
50000834	16	ChEMBL_1696082 (CHEMBL4046972)	Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes
50000834	3	ChEBML_1696087	Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes
50000834	17	ChEMBL_1696085 (CHEMBL4046975)	Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes
50000834	8	ChEMBL_1696091 (CHEMBL4046981)	Agonist activity at human D2SR expressed in HEK293 cells incubated for 5 hrs by beta-Arrestin 2 recruitment assay
50000834	6	ChEBML_1696093	Agonist activity at human D2SR expressed in HEK293 cell membranes co-expressing PTX insensitive variant of Galphao1 incubated for 30 mins by [35S]GTP-gammaS binding assay
50037790	2	ChEMBL_422446 (CHEMBL909320)	Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037790	1	ChEMBL_422443 (CHEMBL909317)	Antagonist activity against human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTP-gamma-S binding
50037790	5	ChEMBL_422446 (CHEMBL909320)	Partial agonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037790	8	ChEMBL_422448 (CHEMBL854837)	Antagonist activity against human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding
50000834	7	ChEBML_1696081	Displacement of [3H]WAY100635 from human 5-HT1AR
50037791	1	ChEMBL_422532 (CHEMBL911029)	Displacement of [3H]DHT from human SHBG
50037792	1	ChEMBL_422555 (CHEMBL911052)	Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor
50037792	2	ChEMBL_422554 (CHEMBL911053)	Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor
50037793	1	ChEMBL_422595 (CHEMBL911644)	Displacement of [125I]PACAP27 from human VPAC2 receptor expressed in CHO cells
50037793	2	ChEMBL_422592 (CHEMBL911629)	Activity at human VPAC2 receptor in CHO cells by measuring cAMP accumulation
50037793	3	ChEMBL_422596 (CHEMBL911645)	Displacement of [125I]PACAP27 from human PAC1 receptor expressed in CHO cells
50037793	4	ChEMBL_422597 (CHEMBL911646)	Displacement of [125I]PACAP27 from human VPAC1 receptor expressed in CHO cells
50037793	5	ChEMBL_422593 (CHEMBL911642)	Activity at human PAC1 receptor in CHO cells by measuring cAMP accumulation
50037793	6	ChEMBL_422594 (CHEMBL911643)	Activity at human VPAC1 receptor in CHO cells by measuring cAMP accumulation
50037794	1	ChEMBL_422598 (CHEMBL911626)	Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells
50037794	2	ChEMBL_422599 (CHEMBL911627)	Inhibition of [3H]CP-55940 binding to human recombinant CB2 receptor in CHO cells
50037794	3	ChEMBL_422611 (CHEMBL911647)	Inverse agonist activity at human recombinant CB1 receptor assessed as inhibition of forskolin-induced cAMP production in CHO cells
50000834	9	ChEBML_1696082	Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes
50037795	1	ChEMBL_422684 (CHEMBL909848)	Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells
50037795	2	ChEMBL_422685 (CHEMBL912816)	Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells
50037795	3	ChEMBL_422689 (CHEMBL912820)	Inhibition of CXCL1-induced human neutrophil chemotaxis
50037796	1	ChEMBL_422928 (CHEMBL908196)	Inhibition of SIRT2
50037797	1	ChEMBL_423018 (CHEMBL909351)	Inhibition of tetramethylrhodamine labeled dexamethasone binding to MR by FP assay
50037797	2	ChEMBL_423017 (CHEMBL909350)	Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assay
50037797	3	ChEMBL_423016 (CHEMBL909349)	Inhibition of tetramethylrhodamine labeled dexamethasone binding to GR by FP assay
50037798	1	ChEMBL_423076 (CHEMBL910448)	Inhibition of p38 alpha
50037800	1	ChEMBL_423228 (CHEMBL912247)	Inhibition of Arabidopsis thaliana mitochondrial PDF1A
50037800	2	ChEMBL_423227 (CHEMBL912248)	Inhibition of human mitochondrial PDF
50037800	3	ChEMBL_423229 (CHEMBL913367)	Inhibition of PDF1B
50037801	1	ChEMBL_423294 (CHEMBL855465)	Inhibition of P-selectin-mediated adhesion of HL60 cells
50037801	2	ChEMBL_423284 (CHEMBL855443)	Inhibition of human recombinant DHOD expressed in Escherichia coli
50037801	3	ChEMBL_423307 (CHEMBL909369)	Inhibition of human CYP1A2
50037801	4	ChEMBL_423305 (CHEMBL908899)	Inhibition of human CYP2C9
50037801	6	ChEMBL_423304 (CHEMBL909917)	Inhibition of human CYP2D6
50037801	7	ChEMBL_423294 (CHEMBL855465)	Inhibition of P-selectin-mediated adhesion of HL60 cells
50037801	8	ChEMBL_423303 (CHEMBL909912)	Inhibition of human CYP3A4
50037801	9	ChEMBL_423308 (CHEMBL909370)	Inhibition of human CYP2C19
50037801	10	ChEMBL_423306 (CHEMBL908900)	Inhibition of human CYP2C8
50037802	1	ChEMBL_423319 (CHEMBL853708)	Inhibitory constant against human adenosine A3 receptor
50037802	2	ChEMBL_423318 (CHEMBL853707)	Inhibitory constant against human adenosine A2a receptor
50037802	3	ChEMBL_423317 (CHEMBL912878)	Inhibitory constant aganist human adenosine A1 receptor
50037803	1	ChEMBL_423471 (CHEMBL911128)	Displacement of [125I]RTI-55 from human NET expressing HEK293 cells
50037803	2	ChEMBL_423472 (CHEMBL911129)	Inhibition of [3H]NE uptake into human NET expressing HEK293 cells
50037803	3	ChEMBL_423468 (CHEMBL911125)	Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells
50037803	4	ChEMBL_423470 (CHEMBL911127)	Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells
50037803	5	ChEMBL_423469 (CHEMBL911121)	Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells
50037803	6	ChEMBL_423467 (CHEMBL911118)	Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells
50037804	1	ChEMBL_423765 (CHEMBL909521)	Inhibition of adenosine A1 receptor
50037804	2	ChEMBL_423730 (CHEMBL855489)	Inhibition of human recombinant PDE4D
50037804	3	ChEMBL_423729 (CHEMBL855488)	Inhibition of human recombinant PDE4C
50037804	4	ChEMBL_423727 (CHEMBL855486)	Inhibition of human recombinant PDE4B
50037804	5	ChEMBL_423728 (CHEMBL855487)	Inhibition of human recombinant PDE4A
50037804	6	ChEMBL_423766 (CHEMBL909522)	Inhibition of adenosine A3 receptor
50037804	7	ChEMBL_423767 (CHEMBL853711)	Inhibition of human adenosine A1 receptor expressed in CHO cells
50037804	8	ChEMBL_423764 (CHEMBL909519)	Inhibition of adenosine A2A receptor
50037805	1	ChEMBL_423826 (CHEMBL911267)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50037805	2	ChEMBL_423824 (CHEMBL911266)	Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells
50037805	3	ChEMBL_423827 (CHEMBL911272)	Activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP levels
50037805	4	ChEMBL_423825 (CHEMBL912890)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells
50037806	1	ChEMBL_423832 (CHEMBL911283)	Inhibition of full length human recombinant CA VI
50037806	2	ChEMBL_423833 (CHEMBL911284)	Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method
50037806	3	ChEMBL_423834 (CHEMBL911285)	Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase method
50037806	4	ChEMBL_423835 (CHEMBL911286)	Inhibition of catalytic domain of human recombinant CA IX
50037806	5	ChEMBL_423836 (CHEMBL911287)	Inhibition of full length human recombinant CA IX
50037806	6	ChEMBL_423838 (CHEMBL911289)	Inhibition of human mitochondrail isozyme CA VA
50037806	7	ChEMBL_423839 (CHEMBL911290)	Inhibition of human mitochondrail isozyme CA VB
50037806	8	ChEMBL_423837 (CHEMBL911288)	Inhibition of human cytosolic isozyme CA III
50037806	9	ChEMBL_423840 (CHEMBL911291)	Inhibition of catalytic domain of human CA XII
50037807	1	ChEMBL_424035 (CHEMBL855663)	Inhibition of human EGLN1
50037808	1	ChEMBL_424037 (CHEMBL855665)	Inhibition of EGLN1
50037809	1	ChEMBL_424192 (CHEMBL907266)	Inhibition of human EGLN1
50037810	1	ChEMBL_424194 (CHEMBL907268)	Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells
50037810	2	ChEMBL_424195 (CHEMBL907269)	Inhibition of human ERG potassium channel in HEK293 cells by patch clamp assay
50037811	1	ChEMBL_424227 (CHEMBL909001)	Binding affinity to EP2 receptor
50037811	2	ChEMBL_424226 (CHEMBL909000)	Binding affinity to EP1 receptor
50037811	3	ChEMBL_424229 (CHEMBL909003)	Binding affinity to EP4 receptor
50037811	4	ChEMBL_424246 (CHEMBL909020)	Binding affinity to DP receptor
50037811	5	ChEMBL_424244 (CHEMBL909018)	Binding affinity to TP receptor
50037811	6	ChEMBL_424228 (CHEMBL909002)	Binding affinity to EP3 receptor
50037811	7	ChEMBL_424243 (CHEMBL909017)	Binding affinity to IP receptor
50037811	8	ChEMBL_424245 (CHEMBL909019)	Binding affinity to FP receptor
50037811	9	ChEMBL_424247 (CHEMBL909021)	Binding affinity to EP3 receptor in presence of HSA
50037812	1	ChEMBL_424265 (CHEMBL908417)	Inhibition of JAK3
50037812	2	ChEMBL_424266 (CHEMBL908418)	Inhibition of JAK2
50037813	1	ChEMBL_424281 (CHEMBL908433)	Displacement of [125I-alpha]-Bungarotoxin from alpha-7 nAChR in rat hippocampal membranes
50037814	2	ChEMBL_424340 (CHEMBL909543)	Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes
50037815	1	ChEMBL_424343 (CHEMBL909546)	Displacement of [3H]R1881 from rat androgen receptor
50037816	1	ChEMBL_424366 (CHEMBL911297)	Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG
50037816	2	ChEMBL_424365 (CHEMBL911296)	Inhibition of Escherichia coli K12 Mur A in presence of UNAG
50000834	10	ChEBML_1696080	Displacement of [3H]prazosin from human sigma1 receptor
50000834	11	ChEBML_1696089	Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes1
50037817	1	ChEMBL_424471 (CHEMBL912512)	Inhibition of CYP2D6 in human liver microsomes
50037817	2	ChEMBL_424448 (CHEMBL912491)	Displacement of [125I]neurokinin B from cloned human NK3 receptor expressed in CHO cells
50037817	3	ChEMBL_424451 (CHEMBL912494)	Binding affinity to gerbil NK3 receptor
50037817	4	ChEMBL_424464 (CHEMBL912490)	Activity at human NK3 receptor assessed as inhibition of senktide-induced calcium mobilization in CHO cells at 2.8 uM
50037817	5	ChEMBL_424469 (CHEMBL912510)	Inhibition of hERG
50037817	6	ChEMBL_424463 (CHEMBL912506)	Activity at human NK3 receptor assessed as inhibition of senktide-stimulated inositol phosphate generation in CHO cells
50037817	7	ChEMBL_424478 (CHEMBL912519)	Activity at human NK3 receptor assessed as stimulation of inositol phosphate generation in CHO cells
50037817	8	ChEMBL_424468 (CHEMBL912509)	Inhibition of human NK2 receptor
50037817	9	ChEMBL_424472 (CHEMBL912513)	Inhibition of CYP3A4 in human liver microsomes
50037817	10	ChEMBL_424467 (CHEMBL912508)	Inhibition of human NK1 receptor
50037817	11	ChEMBL_424452 (CHEMBL912495)	Binding affinity to rat NK3 receptor
50037817	12	ChEMBL_424470 (CHEMBL912511)	Inhibition of CYP2C9 in human liver microsomes
50037818	1	ChEMBL_424499 (CHEMBL911909)	Inhibition of human GalE by HPAEC assay
50037819	1	ChEMBL_424502 (CHEMBL911914)	Inhibition of human EGLN1
50037820	1	ChEMBL_424794 (CHEMBL909043)	Activity at GR expressed in CHO cells assessed as decrease in dexamethasone-stimulated alkaline phosphatase production by GRAF assay
50037820	2	ChEMBL_424793 (CHEMBL909042)	Binding affinity to human GR
50037821	1	ChEMBL_424816 (CHEMBL909060)	Inhibition of human TauT
50037821	2	ChEMBL_424802 (CHEMBL909051)	Inhibition of human GlyT1
50037821	4	ChEMBL_424803 (CHEMBL909052)	Inhibition of rat GlyT1
50037821	5	ChEMBL_424804 (CHEMBL909053)	Inhibition of mouse GlyT1
50037822	1	ChEMBL_424930 (CHEMBL911342)	Inhibition of rat recombinant NTPDase1 expressed in CHO cells
50037822	2	ChEMBL_424932 (CHEMBL911344)	Inhibition of rat recombinant NTPDase3 expressed in CHO cells
50037822	3	ChEMBL_424931 (CHEMBL911343)	Inhibition of rat recombinant NTPDase2 expressed in CHO cells
50037823	1	ChEMBL_425011 (CHEMBL912532)	Activity at PPARdelta
50037823	2	ChEMBL_425009 (CHEMBL911429)	Displacement of tritium labeled ligand from human PPARalpha by SPA assay
50037823	3	ChEMBL_425010 (CHEMBL912531)	Displacement of tritium labeled ligand from human PPARgamma by SPA assay
50037824	1	ChEMBL_425041 (CHEMBL910802)	Binding affinity to human PPARgamma
50037825	1	ChEMBL_425055 (CHEMBL911952)	Inhibition of human recombinant NQO1
50037826	1	ChEMBL_425621 (CHEMBL912561)	Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay
50037826	2	ChEMBL_425609 (CHEMBL910785)	Inhibition of Plasmodium falciparum ENR
50037826	3	ChEMBL_425611 (CHEMBL910787)	Inhibition of Plasmodium falciparum ENR using NADH substrate
50037826	4	ChEMBL_425613 (CHEMBL910789)	Inhibition of Plasmodium falciparum ENR in presence of triclosan
50037826	5	ChEMBL_425620 (CHEMBL912560)	Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay
50037826	6	ChEMBL_425612 (CHEMBL910788)	Inhibition of Plasmodium falciparum ENR using crotonyl-CoA substrate
50037826	7	ChEMBL_425615 (CHEMBL910791)	Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECG
50037826	8	ChEMBL_425626 (CHEMBL910784)	Inhibition of Plasmodium falciparum ENR in presence of ECG
50037826	9	ChEMBL_425622 (CHEMBL912562)	Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay
50037826	10	ChEMBL_425610 (CHEMBL910786)	Inhibition of Escherichia coli ENR
50037826	11	ChEMBL_425617 (CHEMBL910793)	Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of quercetin
50037826	12	ChEMBL_425616 (CHEMBL910792)	Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGC
50037826	13	ChEMBL_425625 (CHEMBL910795)	Inhibition of Plasmodium falciparum ENR in presence of EGC
50037826	14	ChEMBL_425614 (CHEMBL910790)	Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCG
50037826	15	ChEMBL_425624 (CHEMBL912558)	Inhibition of Plasmodium falciparum ENR in presence of EGCG
50037826	16	ChEMBL_425627 (CHEMBL912564)	Inhibition of Plasmodium falciparum ENR in presence of quercetin
50037826	17	ChEMBL_425623 (CHEMBL912563)	Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay
50037826	18	ChEMBL_425619 (CHEMBL912559)	Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay
50037826	19	ChEMBL_425628 (CHEMBL912565)	Inhibition of Plasmodium falciparum ENR in presence of butein
50037826	20	ChEMBL_425618 (CHEMBL910794)	Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of butein
50037827	1	ChEMBL_425863 (CHEMBL856866)	Inhibition of Escherichia coli CBL
50037828	1	ChEMBL_425926 (CHEMBL907381)	Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane
50037828	2	ChEMBL_425924 (CHEMBL907379)	Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells
50037828	3	ChEMBL_425925 (CHEMBL907380)	Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes
50037828	4	ChEMBL_425927 (CHEMBL907382)	Displacement of [3H]AVP from rat OT receptor expressed in CHO cells
50037829	1	ChEMBL_425937 (CHEMBL906334)	Displacement of [11C]PK-11195 from PBR in Sprague-Dawley rat brain
50037829	2	ChEMBL_425936 (CHEMBL907395)	Displacement of [11C]DAA1106 from PBR in Sprague-Dawley rat brain
50037830	1	ChEMBL_428056 (CHEMBL914788)	Inhibition of KIAA1363
50037830	2	ChEMBL_428057 (CHEMBL914371)	Inhibition of TGH
50037830	3	ChEMBL_428055 (CHEMBL914373)	Inhibition of human FAAH expressed in COS7 cells by [14C]oleamide breakdown
50037832	1	ChEMBL_428140 (CHEMBL915778)	Displacement of [3H]1,25-(OH)2D3 from vitamin D receptor in bovine thymus
50037832	2	ChEMBL_428141 (CHEMBL915777)	Induction of transactivation of human VDR responsive gene in COS7 cells by rat osteopontin luciferase reporter gene assay
50037833	1	ChEMBL_428319 (CHEMBL917097)	Inhibition of human L-selectin after 2 hrs
50037833	2	ChEMBL_428317 (CHEMBL917095)	Inhibition of human P-selectin after 2 hrs
50037833	3	ChEMBL_428315 (CHEMBL917093)	Inhibition of human E-selectin after 2 hrs
50037834	1	ChEMBL_428323 (CHEMBL917101)	Agonist activity at human recombinant P2Y2 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C
50037834	2	ChEMBL_428324 (CHEMBL917102)	Agonist activity at human recombinant P2Y4 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C
50037834	3	ChEMBL_428325 (CHEMBL917103)	Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C
50037834	4	ChEMBL_428327 (CHEMBL917105)	Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as intracellular calcium mobilization
50037835	1	ChEMBL_428388 (CHEMBL917988)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells
50037835	2	ChEMBL_428387 (CHEMBL917987)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells
50037835	3	ChEMBL_428386 (CHEMBL917986)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50037836	1	ChEMBL_428426 (CHEMBL919495)	Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 1 umol/L ATP
50037836	2	ChEMBL_428429 (CHEMBL919498)	Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 1 umol/L ATP
50037836	3	ChEMBL_428427 (CHEMBL919496)	Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 10 umol/L ATP
50037836	4	ChEMBL_428428 (CHEMBL919497)	Inhibition of human Fyn expressed in Sf9 cells after 20 mins by ELISA in presence of 100 umol/L ATP
50037836	5	ChEMBL_428433 (CHEMBL919502)	Inhibition of human Fyn expressed in Sf9 cells at 30 umol/L by ELISA
50037836	6	ChEMBL_428432 (CHEMBL919501)	Inhibition of human Fyn expressed in Sf9 cells at 10 umol/L by ELISA
50037836	7	ChEMBL_428431 (CHEMBL919500)	Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 100 umol/L ATP
50037836	8	ChEMBL_428430 (CHEMBL919499)	Inhibition of human Fyn expressed in Sf9 cells after 1 min by ELISA in presence of 10 umol/L ATP
50037838	1	ChEMBL_428527 (CHEMBL919884)	Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells
50037838	2	ChEMBL_428528 (CHEMBL919885)	Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells
50037839	1	ChEMBL_428829 (CHEMBL917650)	Inhibition of human serum BChE
50037840	1	ChEMBL_428971 (CHEMBL919518)	Inhibition of BCRP expressed in human HEK293 cells assessed as maximal mitoxantrone accumulation
50037841	2	ChEMBL_429146 (CHEMBL904263)	Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-induced depolarization of neonatal anaesthetised rat dorsal root fibres
50037841	3	ChEMBL_429155 (CHEMBL914410)	Antagonist activity at human recombinant GLUA2-AMPA receptor expressed in HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by FLIPR assay
50037841	4	ChEMBL_429159 (CHEMBL914414)	Antagonist activity at human recombinant GLUK6 expressed in HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by FLIPR assay
50000835	3	ChEMBL_1696133 (CHEMBL4047023)	Agonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene assay
50000835	7	ChEMBL_1696128 (CHEMBL4047018)	Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation counting method
50037841	6	ChEMBL_429156 (CHEMBL914411)	Antagonist activity at human recombinant GLUK5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-stimulated calcium influx by FLIPR assay
50037842	1	ChEMBL_429163 (CHEMBL914418)	Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay
50037843	1	ChEMBL_429280 (CHEMBL915840)	Displacement of [125I]Ang2 from AT2 receptor in pig uterus myometrial membrane
50000835	1	ChEBML_1696130	Binding affinity to human ERRgamma
50000835	2	ChEMBL_1696131 (CHEMBL4047021)	Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene assay
50000835	8	ChEMBL_1696129 (CHEMBL4047019)	Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation counting method
50000835	4	ChEBML_1696131	Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene assay
50037844	1	ChEMBL_429454 (CHEMBL917153)	Inhibition of rabbit muscle creatine kinase-MgATP complex by pH-stat assay
50037844	2	ChEMBL_429452 (CHEMBL917695)	Inhibition of rabbit muscle creatine kinase by pH-stat assay
50037845	1	ChEMBL_429470 (CHEMBL917169)	Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology
50037846	1	ChEMBL_429485 (CHEMBL918607)	Displacement of [3H]CPPA from human adenosine A1 receptor expressed in CHO cells
50037846	2	ChEMBL_429492 (CHEMBL918614)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production
50037846	3	ChEMBL_429487 (CHEMBL918609)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells
50037846	4	ChEMBL_429489 (CHEMBL918611)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells
50000838	3	ChEMBL_1696163 (CHEMBL4047053)	Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(OH)2D3
50000835	5	ChEBML_1696129	Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation counting method
50037846	5	ChEMBL_429491 (CHEMBL918613)	Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as stimulation of cAMP production
50037847	1	ChEMBL_429556 (CHEMBL919554)	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay
50037847	2	ChEMBL_429555 (CHEMBL919553)	Inhibition of human TMPK by coupled spectrophotometric assay
50037848	1	ChEMBL_429600 (CHEMBL919032)	Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane
50037848	2	ChEMBL_429601 (CHEMBL919033)	Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane
50000838	5	ChEMBL_1696162 (CHEMBL4047052)	Inhibition of N-terminal MBP-tagged human CYP24A1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(OH)2D3
50000835	6	ChEMBL_1696134 (CHEMBL4047024)	Antagonist activity at full length ERbeta (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene assay
50037849	1	ChEMBL_429833 (CHEMBL915414)	Displacement of [3H]paroxetine from 5HTT
50037849	3	ChEMBL_429831 (CHEMBL915412)	Displacement of [3H]WIN-35428 from DAT
50037849	2	ChEMBL_429832 (CHEMBL915413)	Displacement of [3H]nisoxetine from NET
50000837	1	ChEBML_1696140	Inhibition of human CA2 catalytic activity pre-incubated for 15 mins followed by 4-NPA substrate addition and measured every 12 to 15 secs for 5 mins by spectrophotometry
50000837	2	ChEBML_1696146	Binding affinity to ER (unknown origin) expressed in UAS-bla GripTite 293 cells by Select screen competitive binding assay
50000838	1	ChEBML_1696163	Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(OH)2D3
50000838	2	ChEBML_1696160	Inhibition of human CYP24A1
50037850	1	ChEMBL_429928 (CHEMBL916808)	Inhibition of 15-lipoxygenase by LMB assay
50037851	1	ChEMBL_430030 (CHEMBL917206)	Inhibition of gamma secretase in CHO cells expressing human APP by ELISA
50037851	2	ChEMBL_430029 (CHEMBL917205)	Inhibition of gamma secretase isolated from HeLa cells by ELISA
50037851	3	ChEMBL_430032 (CHEMBL917208)	Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA
50037851	4	ChEMBL_430031 (CHEMBL917207)	Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA
50037852	1	ChEMBL_430126 (CHEMBL919604)	Inhibition of Plasmodium falciparum recombinant falcipain-2
50037852	2	ChEMBL_430127 (CHEMBL919605)	Inhibition of Plasmodium falciparum recombinant falcipain-3
50037852	3	ChEMBL_430130 (CHEMBL919608)	Inhibition of Leishmania donovani cysteine protease
50000838	4	ChEMBL_1696160 (CHEMBL4047050)	Inhibition of human CYP24A1
50000839	1	ChEBML_1696165	Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay
50000839	2	ChEBML_1696166	Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay
50037853	1	ChEMBL_430153 (CHEMBL919062)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells
50000839	3	ChEBML_1696167	Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay
50037853	6	ChEMBL_430154 (CHEMBL919063)	Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells
50000839	4	ChEBML_1696164	Inhibition of human recombinant carbonic anhydrase-1 preincubated for 10 mins by stopped-flow CO2 hydration assay
50037854	4	ChEMBL_430381 (CHEMBL915324)	Agonist activity at mouse MC5R expressed in HEK293 cells by beta-galactosidase assay
50037854	5	ChEMBL_430377 (CHEMBL915320)	Agonist activity at mouse MC3R expressed in HEK293 cells by beta-galactosidase assay
50037854	1	ChEMBL_430379 (CHEMBL915322)	Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase assay
50037854	3	ChEMBL_430376 (CHEMBL915319)	Agonist activity at mouse MC1R expressed in HEK293 cells by beta-galactosidase assay
50037855	1	ChEMBL_430413 (CHEMBL916822)	Inhibition of Escherichia coli thymidylate synthase
50037855	2	ChEMBL_430412 (CHEMBL916821)	Inhibition of human thymidylate synthase
50037855	3	ChEMBL_430414 (CHEMBL916823)	Inhibition of human DHFR
50037856	1	ChEMBL_430506 (CHEMBL917755)	Inhibition of human CYP24 hydroxylase expressed in V79 cells
50000840	1	ChEBML_1696173	Inhibition of PDE4D isolated from human U937 cells using [3H]-cAMP incubated for 30 mins
50037857	1	ChEMBL_430599 (CHEMBL918701)	Inhibition of Lactobacillus casei DHFR
50037857	2	ChEMBL_430597 (CHEMBL918699)	Inhibition of human recombinant DHFR
50037857	4	ChEMBL_430601 (CHEMBL918703)	Inhibition of Escherichia coli thymidylate synthase
50037857	5	ChEMBL_430602 (CHEMBL918704)	Inhibition of Lactobacillus casei thymidylate synthase
50037857	3	ChEMBL_430598 (CHEMBL918700)	Inhibition of Escherichia coli DHFR
50037857	6	ChEMBL_430600 (CHEMBL918702)	Inhibition of human recombinant thymidylate synthase
50000840	2	ChEBML_1696172	Inhibition of PDE4B isolated from human U937 cells using [3H]-cAMP incubated for 30 mins
50037858	1	ChEMBL_430874 (CHEMBL913943)	Binding affinity to human wild type his-tagged PNMT
50037858	2	ChEMBL_430868 (CHEMBL913938)	Activity of human wild type PNMT assessed as phenylethanolamine methylation
50037858	3	ChEMBL_430879 (CHEMBL913948)	Binding affinity to human free PNMT
50037859	1	ChEMBL_430943 (CHEMBL914885)	Inhibition of TPPII in rat cerebral membrane
50037860	1	ChEMBL_430944 (CHEMBL914886)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells
50037860	2	ChEMBL_430945 (CHEMBL914887)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells
50037860	3	ChEMBL_430946 (CHEMBL914888)	Inhibition of rat brain FAAH assessed as [14C]anandamide hydrolysis
50037861	1	ChEMBL_431030 (CHEMBL915900)	Displacement of [3H]paroxetine from 5HTT
50037861	3	ChEMBL_431028 (CHEMBL915898)	Displacement of [3H]WIN-35428 from DAT
50037861	2	ChEMBL_431029 (CHEMBL915899)	Displacement of [3H]nisoxetine from NET
50000841	1	ChEBML_1696198	Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay
50000841	2	ChEBML_1696197	Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay
50037862	1	ChEMBL_431036 (CHEMBL916321)	Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells
50037862	2	ChEMBL_431034 (CHEMBL916319)	Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes
50037862	3	ChEMBL_431035 (CHEMBL916320)	Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells
50037862	4	ChEMBL_431037 (CHEMBL916322)	Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells
50037863	1	ChEMBL_431069 (CHEMBL917774)	Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay
50037863	2	ChEMBL_431067 (CHEMBL917772)	Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells
50037864	1	ChEMBL_431072 (CHEMBL917777)	Displacement of [125]iodoMLA from alpha-7 nAChR
50037865	1	ChEMBL_432048 (CHEMBL918245)	Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemotaxis assay
50037865	2	ChEMBL_432047 (CHEMBL918244)	Inhibition of Rho kinase
50037866	1	ChEMBL_432232 (CHEMBL914604)	Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells
50037866	2	ChEMBL_432234 (CHEMBL914606)	Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by reporter gene assay
50037867	1	ChEMBL_432301 (CHEMBL915562)	Inhibition of STAT6 in human IL4-stimulated FW4 cells
50037868	1	ChEMBL_432593 (CHEMBL919738)	Inhibition of KDR
50037868	2	ChEMBL_432578 (CHEMBL918284)	Inhibition of cSrc by coupled spectrophotometric enzyme assay
50037868	3	ChEMBL_432580 (CHEMBL919725)	Inhibition of cSrc in COS7 cells by ELISA
50037868	4	ChEMBL_432592 (CHEMBL919737)	Inhibition of EGFR
50037868	5	ChEMBL_432589 (CHEMBL919734)	Inhibition of Syk
50037868	6	ChEMBL_432590 (CHEMBL919735)	Inhibition of Zap70
50037868	7	ChEMBL_432591 (CHEMBL919736)	Inhibition of PKCbeta2
50037868	8	ChEMBL_432588 (CHEMBL919733)	Inhibition of Lck
50037869	1	ChEMBL_432672 (CHEMBL919243)	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by double coupled assay
50037869	2	ChEMBL_432675 (CHEMBL920649)	Binding affinity to Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells by SPR assay
50037869	3	ChEMBL_432673 (CHEMBL919244)	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying shikimate levels by double coupled assay
50037869	4	ChEMBL_432674 (CHEMBL920648)	Inhibition of Helicobacter pylori SS1 recombinant shikimate kinase expressed in BL21 (DE3) cells in presence of varying MgATP levels by double coupled assay
50037870	1	ChEMBL_432812 (CHEMBL914080)	Displacement of [3H]ABP688 from mGluR5 in rat brain membrane
50037870	2	ChEMBL_432825 (CHEMBL914081)	Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells
50037870	3	ChEMBL_432826 (CHEMBL914094)	Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of quisqualate-induced phosphoinositol accumulation
50037870	4	ChEMBL_432824 (CHEMBL914093)	Binding affinity at mGluR5 in rat brain membrane
50037870	5	ChEMBL_432813 (CHEMBL914082)	Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells
50037870	6	ChEMBL_432827 (CHEMBL914095)	Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of glutamate-induced calcium release
50037871	1	ChEMBL_432853 (CHEMBL915602)	Inhibition of human recombinant DPP9
50037871	2	ChEMBL_432851 (CHEMBL915600)	Inhibition of DPP4 in rat plasma by fluorescence assay
50037871	3	ChEMBL_432850 (CHEMBL915599)	Inhibition of DPP4 in human plasma by fluorescence assay
50037871	4	ChEMBL_432852 (CHEMBL915601)	Inhibition of human recombinant DPP8
50037872	1	ChEMBL_433253 (CHEMBL914658)	Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells
50037872	2	ChEMBL_433251 (CHEMBL913064)	Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells
50037873	1	ChEMBL_433470 (CHEMBL918869)	Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B
50037875	1	ChEMBL_434305 (CHEMBL917884)	Displacement of [3H]NTI from delta opioid receptor in CD1 mouse brain membranes
50037875	2	ChEMBL_434307 (CHEMBL917886)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes
50037875	3	ChEMBL_434306 (CHEMBL917885)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes
50037876	4	ChEMBL_434334 (CHEMBL919392)	Agonist activity at human opioid kappa receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50037876	7	ChEMBL_434340 (CHEMBL919398)	Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding
50037877	1	ChEMBL_434655 (CHEMBL914212)	Inhibition of human recombinant PRMT1 by TRF assay
50037877	2	ChEMBL_434652 (CHEMBL914209)	Inhibition of Aspergillus nidulans RmtA by TRF assay
50000846	3	ChEBML_1696291	Inhibition of ABCG2 in human H460/MX20 cells assessed as potentiation of mitoxantrone induced antiproliferative activity by measuring mitoxantrone IC50 at 10 uM preincubated for 2 hrs followed by mitoxantrone addition measured after 72 hrs by MTT assay (Rvb = 6.161 +/- 0.172 microM)
50037879	1	ChEMBL_435621 (CHEMBL920175)	Displacement of [3H]nisoxetine from NET in rat cortical membrane
50037879	2	ChEMBL_435625 (CHEMBL903982)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50037879	3	ChEMBL_435619 (CHEMBL920173)	Displacement of [125I][Nle4,D-Phe7]alphaMSH from human MC4R expressed in COS7 cells
50037879	4	ChEMBL_435624 (CHEMBL903981)	Displacement of [3H]raclopride from dopamine receptor D2 in rat striatal membrane
50037879	5	ChEMBL_435620 (CHEMBL920174)	Displacement of [3H]paroxetine from serotonin transporter in rat cortical membrane
50037879	6	ChEMBL_435623 (CHEMBL903980)	Displacement of [3H]pyrilamine from histamine H1 receptor in rat brain membrane
50037879	7	ChEMBL_435626 (CHEMBL903983)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane
50037880	1	ChEMBL_435727 (CHEMBL904080)	Inhibition of human recombinant MMP2 expressed in mouse myeloma cells
50037880	2	ChEMBL_435724 (CHEMBL904077)	Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration method
50037880	3	ChEMBL_435725 (CHEMBL904078)	Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method
50037880	4	ChEMBL_435728 (CHEMBL904081)	Inhibition of human recombinant MMP9 expressed in mouse myeloma cells
50037880	5	ChEMBL_435726 (CHEMBL904079)	Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration method
50037881	1	ChEMBL_435757 (CHEMBL904111)	Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells
50037881	2	ChEMBL_435760 (CHEMBL904114)	Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells
50037881	3	ChEMBL_435759 (CHEMBL904113)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP production
50037881	4	ChEMBL_435758 (CHEMBL904112)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells
50037882	1	ChEMBL_435911 (CHEMBL905312)	Inhibition of Sprague-Dawley rat spleen microsome HO1
50037882	2	ChEMBL_435912 (CHEMBL905313)	Inhibition of Sprague-Dawley rat brain microsome HO2
50037883	2	ChEMBL_435944 (CHEMBL905349)	Inhibition of human DNA polymerase lambda
50037883	3	ChEMBL_435940 (CHEMBL905345)	Inhibition of rat DNA polymerase beta
50037884	2	ChEMBL_436122 (CHEMBL905524)	Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells
50037884	3	ChEMBL_436133 (CHEMBL905535)	Displacement of [3H]substance P from human cloned NK1 receptor
50037884	4	ChEMBL_436135 (CHEMBL905537)	Displacement of [3H]nisoxetine from rat NET
50037884	6	ChEMBL_436131 (CHEMBL905533)	Displacement of [3H]pyrilamine from human cloned histamine H1 receptor
50037884	5	ChEMBL_436123 (CHEMBL905525)	Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells
50037884	7	ChEMBL_436120 (CHEMBL905522)	Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells
50037884	8	ChEMBL_436134 (CHEMBL905536)	Displacement of [3H]WIN-35428 from rat DAT
50037884	9	ChEMBL_436130 (CHEMBL905532)	Displacement of [3H]prazosin from human cloned alpha-1A receptor
50037884	10	ChEMBL_436132 (CHEMBL905534)	Displacement of [125I]iodosulpiride from human cloned dopamine D3 receptor
50037885	1	ChEMBL_436322 (CHEMBL905722)	Inhibition of integrin alpha-2 domain binding to collagen 1 by Europium-labeled anti-GST assay
50037886	1	ChEMBL_436440 (CHEMBL904748)	Inhibition of human recombinant UGT2B17 assessed as reduction of scopoletin glucuronidation
50037886	2	ChEMBL_436438 (CHEMBL904746)	Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation
50037886	3	ChEMBL_436439 (CHEMBL904747)	Inhibition of human UGT2B7 by substrate-independent inhibition assay
50037887	1	ChEMBL_436468 (CHEMBL904777)	Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells
50037887	2	ChEMBL_436470 (CHEMBL904775)	Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH
50037887	3	ChEMBL_436469 (CHEMBL904776)	Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA
50037888	1	ChEMBL_436509 (CHEMBL904815)	Inhibition of Brucella suis histidinol dehydrogenase
50037890	1	ChEMBL_436656 (CHEMBL904966)	Inhibition of human recombinant PTP1B
50037891	1	ChEMBL_436709 (CHEMBL905018)	Activity at rat TAAR1 expressed in HEK293 cells assessed as cAMP production
50037891	2	ChEMBL_436711 (CHEMBL905020)	Activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP production
50037892	1	ChEMBL_436809 (CHEMBL905111)	Inhibition of human potassium channel Kv1.5 by patch-clamp method
50037892	2	ChEMBL_436811 (CHEMBL905113)	Inhibition of rat potassium channel Kv2.1 by patch-clamp method
50037892	3	ChEMBL_436810 (CHEMBL905112)	Inhibition of rat potassium channel Kv4.2 by patch-clamp method
50037892	4	ChEMBL_436808 (CHEMBL905110)	Inhibition of human heart sodium channel Nav1.5 by patch-clamp method
50000849	2	ChEMBL_1696317 (CHEMBL4047207)	Inhibition of 150 nM recombinant human topoisomerase-2alpha catalytic activity expressed in Saccharomyces cerevisiae JEL1 harboring topoisomerase1 deletion mutant assessed as reduction in enzyme-mediated relaxed pBR322 DNA strand passage after 2 mins in presence of APP(NH)P by ethidium bromide staining based agarose gel electrophoresis
50000850	15	ChEMBL_1696367 (CHEMBL4047257)	Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 120 mins followed by ATP addition measured after 10 mins by topcount scintillation counting analysis
50037893	1	ChEMBL_436856 (CHEMBL905158)	Inhibition of human aromatase
50037894	1	ChEMBL_436893 (CHEMBL905198)	Displacement of [3H]8-OH-DPAT from rat brain 5HT1A receptor
50037894	2	ChEMBL_436895 (CHEMBL905200)	Displacement of [3H]5CT from 5HT7 receptor in Wistar rat hyphalamic membrane
50037894	3	ChEMBL_436894 (CHEMBL905199)	Displacement of [3H]ketanserin from rat brain 5HT2A receptor
50037895	1	ChEMBL_437030 (CHEMBL906424)	Inhibition of human placenta alpha-L-fucosidase
50037895	2	ChEMBL_437033 (CHEMBL906427)	Inhibition of Caldicellulosiruptor saccharolyticus beta galactosidase
50037895	3	ChEMBL_437027 (CHEMBL905342)	Inhibition of bovine liver beta galactosidase
50037896	1	ChEMBL_437161 (CHEMBL906558)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells
50037896	2	ChEMBL_437162 (CHEMBL906559)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells
50037896	3	ChEMBL_437163 (CHEMBL906560)	Inhibition of rat brain FAAH assessed as inhibition of [14C]anandamide hydrolysis
50037896	4	ChEMBL_437166 (CHEMBL906562)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells
50037896	5	ChEMBL_437165 (CHEMBL906563)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells
50037897	1	ChEMBL_437219 (CHEMBL906617)	Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation
50037897	2	ChEMBL_437217 (CHEMBL906615)	Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 2 mins
50037897	3	ChEMBL_437249 (CHEMBL906643)	Binding affinity to Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase in presence of AMP
50037897	4	ChEMBL_437218 (CHEMBL906616)	Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins
50037898	1	ChEMBL_437311 (CHEMBL906711)	Inhibition of rat liver MAOB after 60 mins pre-incubation
50037898	2	ChEMBL_437313 (CHEMBL906713)	Inhibition of rat liver MAOB
50037898	3	ChEMBL_437310 (CHEMBL906710)	Inhibition of rat liver MAOA after 60 mins pre-incubation
50037898	4	ChEMBL_437312 (CHEMBL906712)	Inhibition of rat liver MAOA
50037899	1	ChEMBL_437579 (CHEMBL906015)	Inhibition of human GR transcriptional activation by HepTAT cells
50037899	2	ChEMBL_437578 (CHEMBL906014)	Inhibition of human GR expressed in hGRAF cells
50037899	3	ChEMBL_437577 (CHEMBL906013)	Displacement of radiolabeled Dexamethasone from human GR
50000849	1	ChEBML_1696318	Inhibition of recombinant human topoisomerase-2alpha expressed in Saccharomyces cerevisiae JEL1 harboring topoisomerase1 deletion mutant assessed as reduction in enzyme-mediated [gamma32P]ATP hydrolysis using relaxed pBR322 DNA as substrate after 8 mins
50037900	1	ChEMBL_437736 (CHEMBL905921)	Inhibition of Src
50037900	2	ChEMBL_437776 (CHEMBL905865)	Inhibition of CYP1A2
50037900	3	ChEMBL_437777 (CHEMBL905866)	Inhibition of CYP2C9
50037900	4	ChEMBL_437775 (CHEMBL905864)	Inhibition of CYP3A4
50037900	5	ChEMBL_437762 (CHEMBL905851)	Inhibition of VEGFR2
50037900	6	ChEMBL_437764 (CHEMBL905853)	Inhibition of PDGFRbeta
50037900	7	ChEMBL_437758 (CHEMBL905847)	Inhibition of Yes kinase
50037900	8	ChEMBL_437763 (CHEMBL905852)	Inhibition of FGFR2
50037900	9	ChEMBL_437766 (CHEMBL905855)	Inhibition of Ret
50037900	10	ChEMBL_437778 (CHEMBL905867)	Inhibition of CYP2C19
50037900	11	ChEMBL_437779 (CHEMBL905868)	Inhibition of CYP2D6
50037900	12	ChEMBL_437760 (CHEMBL905849)	Inhibition of Lyn
50037900	13	ChEMBL_437759 (CHEMBL905848)	Inhibition of Lck
50037900	14	ChEMBL_437765 (CHEMBL905854)	Inhibition of EphB4
50037900	15	ChEMBL_437761 (CHEMBL905850)	Inhibition of Abl kinase
50037901	1	ChEMBL_438047 (CHEMBL906303)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50037901	2	ChEMBL_438048 (CHEMBL906304)	Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced GRE-linked luciferase reporter gene activity
50000850	18	ChEMBL_1696362 (CHEMBL4047252)	Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate measured after 10 mins in presence of ATP by topcount scintillation counting analysis
50037902	2	ChEMBL_438134 (CHEMBL887264)	Binding affinity to Integrin alpha-v-beta-5 receptor by ELISA assay
50000849	3	ChEMBL_1696318 (CHEMBL4047208)	Inhibition of recombinant human topoisomerase-2alpha expressed in Saccharomyces cerevisiae JEL1 harboring topoisomerase1 deletion mutant assessed as reduction in enzyme-mediated [gamma32P]ATP hydrolysis using relaxed pBR322 DNA as substrate after 8 mins
50000850	1	ChEBML_1696337	Inhibition of GST-tagged JAK1 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay
50000850	2	ChEBML_1696340	Inhibition of His-tagged TYK2 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay
50037903	1	ChEMBL_438288 (CHEMBL887394)	Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding
50000850	3	ChEMBL_1696346 (CHEMBL4047236)	Inhibition of JAK2 in human TF1 cells assessed as reduction in EPO-induced STAT5A phosphorylation pretreated for 30 mins followed by EPO addition measured after 10 mins by ELISA
50000850	4	ChEBML_1696361	Inhibition of FMS (unknown origin) by caliper assay
50000850	7	ChEMBL_1696365 (CHEMBL4047255)	Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 15 mins followed by ATP addition measured after 10 mins by topcount scintillation counting analysis
50000850	6	ChEBML_1696363	Inhibition of EGFR (unknown origin) by caliper assay
50000850	14	ChEMBL_1696364 (CHEMBL4047254)	Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate measured immediately in presence of ATP by topcount scintillation counting analysis
50037903	5	ChEMBL_438282 (CHEMBL887388)	Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell membrane
50000850	8	ChEMBL_1696366 (CHEMBL4047256)	Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 45 mins followed by ATP addition measured after 10 mins by topcount scintillation counting analysis
50000850	9	ChEBML_1696338	Inhibition of GST-tagged JAK2 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay
50000850	10	ChEBML_1696339	Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma32P]ATP by top-count liquid scintillation counting method
50000850	11	ChEMBL_1696371 (CHEMBL4047261)	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells after 18 hrs by FACS analysis
50000850	17	ChEMBL_1696347 (CHEMBL4047237)	Inhibition of JAK1/TYK2 in human PBMC derived T cell assessed as reduction in IFNa2a-induced STAT3 phosphorylation after 30 mins by ELISA
50000850	16	ChEMBL_1696344 (CHEMBL4047234)	Inhibition of JAK1/JAK3 in human PBMC derived T cell assessed as reduction in IL2-induced STAT3 phosphorylation after 30 mins by ELISA
50037904	1	ChEMBL_438434 (CHEMBL887535)	Inhibition of KDR
50037905	1	ChEMBL_438441 (CHEMBL886419)	Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase
50037906	1	ChEMBL_438446 (CHEMBL886424)	Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase
50037907	1	ChEMBL_438459 (CHEMBL887559)	Inhibition of SIRT2
50037907	2	ChEMBL_438460 (CHEMBL887560)	Inhibition of SIRT1
50037908	1	ChEMBL_438494 (CHEMBL887594)	Inhibition of Cyclin E/CDK2
50037908	2	ChEMBL_438486 (CHEMBL887586)	Inhibition of p110alpha by SPA assay
50000850	19	ChEMBL_1696338 (CHEMBL4047228)	Inhibition of GST-tagged JAK2 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay
50037908	4	ChEMBL_438488 (CHEMBL887588)	Inhibition of p110beta
50037908	5	ChEMBL_438490 (CHEMBL887590)	Inhibition of PI3Kc2beta
50037908	6	ChEMBL_438489 (CHEMBL887589)	Inhibition of p110gamma
50037908	8	ChEMBL_438491 (CHEMBL887591)	Inhibition of KDR
50037909	2	ChEMBL_438623 (CHEMBL888954)	Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membranes
50000856	1	ChEBML_1696451	Inhibition of recombinant human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H4 peptide as substrate preincubated for 15 mins followed by substrate/[3H]-SAM addition measured after 60 mins by microbeta liquid scintillation counting analysis
50037909	4	ChEMBL_438633 (CHEMBL888964)	Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50037909	5	ChEMBL_438625 (CHEMBL888956)	Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membranes
50000857	10	ChEMBL_1696472 (CHEMBL4047362)	Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues by TR-FRET assay
50000857	4	ChEMBL_1696475 (CHEMBL4047365)	Inhibition of PIM1 in human KG1 cells assessed as reduction in BAD phosphorylation
50037910	1	ChEMBL_438636 (CHEMBL888967)	Inhibition of human SCD1
50037911	1	ChEMBL_438661 (CHEMBL888992)	Inhibition of ITAC-induced CXCR3 mediated cell migration
50037911	2	ChEMBL_438654 (CHEMBL888985)	Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC
50037911	3	ChEMBL_438662 (CHEMBL888993)	Inhibition of MIG-induced CXCR3 mediated cell migration
50037911	4	ChEMBL_438659 (CHEMBL888990)	Displacement of [125I] ITAC from the CXCR3 receptor
50037911	5	ChEMBL_438660 (CHEMBL888991)	Inhibition of IP10-induced CXCR3 mediated cell migration
50037911	6	ChEMBL_438655 (CHEMBL888986)	Antagonist activity at human CXCR3 assessed as inhibition of MIG-induced calcium mobilization
50037911	7	ChEMBL_438663 (CHEMBL888994)	Antagonist activity at human CXCR3 assessed as inhibition of ITAC-induced calcium mobilization
50000858	1	ChEMBL_1696511 (CHEMBL4047401)	Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin addition after 30 mins by ELISA
50000858	3	ChEMBL_1696510 (CHEMBL4047400)	Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method
50037914	1	ChEMBL_438936 (CHEMBL889279)	Inhibition of SCD1 in ob/ob mouse liver microsome
50037915	1	ChEMBL_438956 (CHEMBL889299)	Inhibition of human cPEPCK
50037915	2	ChEMBL_438958 (CHEMBL889301)	Inhibition of cPEPCK in rat H4IIE cells assessed as effect on glucose production
50037917	1	ChEMBL_439623 (CHEMBL888739)	Inhibition of Aspergillus nidulans RmtA by TRF assay
50037917	2	ChEMBL_439624 (CHEMBL888740)	Inhibition of human PRMT1 by TRF assay
50037918	2	ChEMBL_439882 (CHEMBL890203)	Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells
50000857	7	ChEBML_1696493	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50037918	1	ChEMBL_439885 (CHEMBL890206)	Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50037919	1	ChEMBL_440186 (CHEMBL890500)	Binding affinity to GAPDH in rabbit muscle
50037919	2	ChEMBL_440187 (CHEMBL890501)	Binding affinity to GAPDH in human erythrocytes
50037920	1	ChEMBL_440402 (CHEMBL890716)	Binding affinity to CD4 by SPR assay
50037921	1	ChEMBL_440608 (CHEMBL889702)	Inhibition at monoamine oxidase in mouse brain
50037922	1	ChEMBL_440725 (CHEMBL889822)	Agonist activity at human recombinant TRPV1 expressed in human HEK293 cells
50037923	1	ChEMBL_440757 (CHEMBL889854)	Inhibition of mandelate racemase in Pseudomonas putida
50037924	1	ChEMBL_440848 (CHEMBL889943)	Inhibition of triosephosphate isomerase
50037925	1	ChEMBL_441015 (CHEMBL890102)	Inhibition of HCV 1a NS3 protease
50037926	1	ChEMBL_441025 (CHEMBL890112)	Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization
50037926	2	ChEMBL_441026 (CHEMBL890113)	Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells
50037926	3	ChEMBL_441030 (CHEMBL890117)	Inhibition of CYP3A4
50037927	1	ChEMBL_441032 (CHEMBL890119)	Inhibition of human GR
50037927	2	ChEMBL_441035 (CHEMBL890122)	Inhibition of human PR
50037927	3	ChEMBL_441036 (CHEMBL890123)	Inhibition of human MR
50037928	1	ChEMBL_441090 (CHEMBL891305)	Inhibition of human recombinant MMP7
50037928	2	ChEMBL_441096 (CHEMBL891311)	Inhibition of DHFR using dihydrofolic acid substrate
50037928	3	ChEMBL_441088 (CHEMBL891302)	Inhibition of human recombinant MMP2
50037928	4	ChEMBL_441095 (CHEMBL891310)	Inhibition of DHFR using folic acid substrate
50000858	2	ChEBML_1696510	Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method
50037928	5	ChEMBL_441089 (CHEMBL891304)	Inhibition of human recombinant MMP9
50037928	6	ChEMBL_441091 (CHEMBL891306)	Inhibition of human recombinant MMP14
50037929	1	ChEMBL_441220 (CHEMBL891444)	Inhibition of human recombinant CA14 by CO2 hydration assay
50037929	2	ChEMBL_441219 (CHEMBL891443)	Inhibition of human recombinant CA12 by CO2 hydration assay
50037930	1	ChEMBL_441229 (CHEMBL891451)	Inhibition of Pseudomonas aeruginosa FtsZ GTPase activity by spectrophotometric assay
50037931	1	ChEMBL_441637 (CHEMBL891868)	Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl2 protein by fluorescence polarization assay
50037931	2	ChEMBL_441639 (CHEMBL891870)	Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl-w protein by fluorescence polarization assay
50037932	1	ChEMBL_442079 (CHEMBL891217)	Agonist activity at nAChR alpha-7 expressed in Xenopus oocytes
50037933	1	ChEMBL_442433 (CHEMBL892598)	Inhibition of human recombinant CA14 by CO2 hydration assay
50037933	2	ChEMBL_442427 (CHEMBL892592)	Inhibition of human recombinant CA5B by CO2 hydration assay
50037933	3	ChEMBL_442428 (CHEMBL892593)	Inhibition of human recombinant CA6 by CO2 hydration assay
50037933	4	ChEMBL_442424 (CHEMBL891631)	Inhibition of human recombinant CA2 by CO2 hydration assay
50037933	5	ChEMBL_442425 (CHEMBL891629)	Inhibition of human recombinant CA4 by CO2 hydration assay
50037933	6	ChEMBL_442423 (CHEMBL891630)	Inhibition of cloned human CA1 by CO2 hydration assay
50037933	7	ChEMBL_442429 (CHEMBL892594)	Inhibition of human recombinant CA7 by CO2 hydration assay
50037933	8	ChEMBL_442426 (CHEMBL892591)	Inhibition of human recombinant CA5A by CO2 hydration assay
50037933	9	ChEMBL_442432 (CHEMBL892597)	Inhibition of mouse recombinant CA13 by CO2 hydration assay
50037933	10	ChEMBL_442430 (CHEMBL892595)	Inhibition of human recombinant CA9 by CO2 hydration assay
50037933	11	ChEMBL_442431 (CHEMBL892596)	Inhibition of human recombinant CA12 by CO2 hydration assay
50037934	1	ChEMBL_442515 (CHEMBL892680)	Inhibition of human endothelial NOS activity
50037934	2	ChEMBL_442519 (CHEMBL892684)	Inhibition of rat neuronal NOS activity
50037934	3	ChEMBL_442521 (CHEMBL892686)	Inhibition of rat inducible NOS activity
50037934	4	ChEMBL_442520 (CHEMBL892685)	Inhibition of rat endothelial NOS activity
50037934	5	ChEMBL_442516 (CHEMBL892681)	Inhibition of human inducible NOS activity
50037934	6	ChEMBL_442514 (CHEMBL892679)	Inhibition of human neuronal NOS activity
50037935	1	ChEMBL_442525 (CHEMBL892690)	Antagonist activity at human glucocorticoid receptor assessed as inhibition of corticoid-induced transcription in human A549 cells by GRE-linked luciferase reporter gene assay
50037935	2	ChEMBL_442524 (CHEMBL892689)	Antagonist activity at human progesterone receptor assessed as inhibition of alkaline phosphatase activity in human T47D cells
50037936	1	ChEMBL_442566 (CHEMBL892735)	Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry
50037937	1	ChEMBL_443069 (CHEMBL892200)	Inhibition of COX2
50037937	2	ChEMBL_443070 (CHEMBL892201)	Inhibition of 3alphaHSD
50037937	3	ChEMBL_443068 (CHEMBL892199)	Inhibition of COX1
50037937	4	ChEMBL_443067 (CHEMBL892198)	Inhibition of Xanthine oxidase
50037938	1	ChEMBL_443086 (CHEMBL892217)	Activity at rat recombinant mGluR5 expressed in CHO cells assessed as intracellular calcium concentration
50037938	2	ChEMBL_443091 (CHEMBL892222)	Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay
50037938	3	ChEMBL_443085 (CHEMBL892216)	Activity at rat recombinant mGluR1 expressed in CHO cells assessed as intracellular calcium concentration
50037938	4	ChEMBL_443090 (CHEMBL892221)	Activity at human recombinant mGluR7 expressed in BHK cells assessed as cAMP production
50037938	5	ChEMBL_443092 (CHEMBL892223)	Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay
50037938	6	ChEMBL_443087 (CHEMBL892218)	Activity at human recombinant mGluR2 expressed in BHK cells assessed as stimulation of [35S]GTP-gamma-S binding
50037938	7	ChEMBL_443089 (CHEMBL892220)	Activity at rat recombinant mGluR6 expressed in CHO cells assessed as cAMP production
50037938	8	ChEMBL_443088 (CHEMBL892219)	Agonist activity at rat recombinant mGluR4 expressed in BHK cells
50037939	1	ChEMBL_443204 (CHEMBL893452)	Inhibition of bovine low molecular weight PTP expressed in Escherichia coli BL21(D3) cells
50037940	1	ChEMBL_443211 (CHEMBL893459)	Inhibition of PTP1B after 10 mins
50037940	2	ChEMBL_443212 (CHEMBL893460)	Inhibition of TC-PTP
50037940	3	ChEMBL_443213 (CHEMBL893461)	Inhibition of yeast PTP1
50037940	4	ChEMBL_443214 (CHEMBL893462)	Inhibition of SHP-1 catalytic domain
50037941	1	ChEMBL_443314 (CHEMBL892515)	Inhibition of human Lyn kinase expressed in Sf9 cells
50037941	2	ChEMBL_443313 (CHEMBL892514)	Inhibition of human Abl kinase expressed in Sf9 cells
50037942	1	ChEMBL_443316 (CHEMBL893564)	Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay
50037942	2	ChEMBL_443318 (CHEMBL893566)	Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay
50037942	3	ChEMBL_443320 (CHEMBL893568)	Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay
50037942	4	ChEMBL_443317 (CHEMBL893565)	Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay
50037942	5	ChEMBL_443321 (CHEMBL893569)	Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay
50037942	6	ChEMBL_443315 (CHEMBL893563)	Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay
50037942	7	ChEMBL_443319 (CHEMBL893567)	Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay
50037943	1	ChEMBL_443502 (CHEMBL893760)	Displacement of [3H]DAGO from mu opioid receptor in rat brain membrane
50037943	2	ChEMBL_443503 (CHEMBL892731)	Displacement of [3H]deltorphin2 from delta opioid receptor in rat brain membrane
50037944	1	ChEMBL_443548 (CHEMBL893805)	Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome
50037945	1	ChEMBL_443797 (CHEMBL892960)	Inhibition of human VEGFR2 in presence of 1 mM ATP
50037945	2	ChEMBL_443791 (CHEMBL892954)	Inhibition of human EGFR in presence of 1 mM ATP
50037945	3	ChEMBL_443795 (CHEMBL892958)	Inhibition of human VEGFR2 in presence of 1 uM ATP
50037945	4	ChEMBL_443788 (CHEMBL892951)	Inhibition of human EGFR in presence of 1 uM ATP
50037946	1	ChEMBL_443954 (CHEMBL893121)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50037946	2	ChEMBL_443958 (CHEMBL893119)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane
50037946	3	ChEMBL_443956 (CHEMBL893123)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane
50037947	1	ChEMBL_443975 (CHEMBL893137)	Inhibition of human carbonic anhydrase 5A
50037947	2	ChEMBL_443974 (CHEMBL893136)	Inhibition of human carbonic anhydrase 2
50037948	1	ChEMBL_444129 (CHEMBL893288)	Inhibition of yeast alpha-D-glucosidase
50037949	1	ChEMBL_444199 (CHEMBL893353)	Inhibition of [3H]DA uptake in human DAT expressed in COS1 cell membrane
50037949	2	ChEMBL_444196 (CHEMBL893350)	Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane
50037949	3	ChEMBL_444197 (CHEMBL893351)	Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane
50037949	4	ChEMBL_444198 (CHEMBL893352)	Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane
50037949	5	ChEMBL_444201 (CHEMBL893355)	Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane
50037949	6	ChEMBL_444200 (CHEMBL893354)	Inhibition of [3H]SER uptake in human SERT expressed in COS1 cell membrane
50037950	1	ChEMBL_444681 (CHEMBL894930)	Inhibition of human recombinant soluble epoxide hydrolase
50037950	2	ChEMBL_444684 (CHEMBL894934)	Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescent assay
50037950	3	ChEMBL_444689 (CHEMBL894939)	Inhibition of human sEH by fluorescent assay
50037950	4	ChEMBL_444685 (CHEMBL894935)	Inhibition of rat recombinant soluble epoxide hydrolase by fluorescent assay
50037951	1	ChEMBL_444781 (CHEMBL895029)	Binding affinity to Pseudomonas aeruginosa heme oxygenase
50037952	3	ChEMBL_444857 (CHEMBL895108)	Inhibition of CYP1A2 in human liver microsomes
50037952	5	ChEMBL_444861 (CHEMBL895112)	Inhibition of CYP2D6 in human liver microsomes
50037952	7	ChEMBL_444862 (CHEMBL892991)	Inhibition of CYP2E1 in human liver microsomes
50037952	8	ChEMBL_444858 (CHEMBL895109)	Inhibition of CYP2C8 in human liver microsomes
50037952	9	ChEMBL_444860 (CHEMBL895111)	Inhibition of CYP2C19 in human liver microsomes
50037952	10	ChEMBL_444859 (CHEMBL895110)	Inhibition of CYP2C9 in human liver microsomes
50037952	11	ChEMBL_444844 (CHEMBL895089)	Inhibition of rat CB1 receptor
50037952	12	ChEMBL_444863 (CHEMBL892992)	Inhibition of CYP3A4 in human liver microsomes
50037953	1	ChEMBL_445224 (CHEMBL894371)	Inhibition of Escherichia coli TEM1
50037953	2	ChEMBL_445225 (CHEMBL894369)	Inhibition of Escherichia coli SHV1
50037953	3	ChEMBL_445226 (CHEMBL894370)	Inhibition of Enterobacter cloacae AmpC
50037954	1	ChEMBL_445377 (CHEMBL895668)	Agonist activity at GluR4 expressed in HEK293 cells by Fluo-4/Ca2+ assay
50037954	2	ChEMBL_445375 (CHEMBL895666)	Agonist activity at GluR3 expressed in HEK293 cells by Fluo-4/Ca2+ assay
50037954	3	ChEMBL_445373 (CHEMBL895664)	Agonist activity at GluR2Q expressed in HEK293 cells by Fluo-4/Ca2+ assay
50037954	4	ChEMBL_445371 (CHEMBL895662)	Agonist activity at GluR1 expressed in HEK293 cells by Fluo-4/Ca2+ assay
50037954	5	ChEMBL_445397 (CHEMBL895688)	Agonist activity at GluR4 expressed in Xenopus oocyte cells S-Glutamate
50037955	1	ChEMBL_445406 (CHEMBL895696)	Antagonist activity at human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current by two electrode voltage clamping technique
50037955	2	ChEMBL_445407 (CHEMBL894631)	Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current in presence of 20 nM LVVYPWA peptide by two electrode voltage clamping technique
50037956	1	ChEMBL_445412 (CHEMBL895704)	Binding affinity to Rluc fused 5HT4 receptor expressed in CHO cells
50037956	2	ChEMBL_445409 (CHEMBL894634)	Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells
50037956	3	ChEMBL_445413 (CHEMBL895705)	Binding affinity to YFP fused 5HT4 receptor expressed in CHO cells
50037958	1	ChEMBL_445591 (CHEMBL895879)	Binding affinity to human ERbeta
50037958	2	ChEMBL_445590 (CHEMBL895878)	Binding affinity to human ERalpha
50037959	1	ChEMBL_445893 (CHEMBL896183)	Displacement of [3H]pentazocine from Sigma1 receptor in guinea pig brain membrane
50037959	2	ChEMBL_445895 (CHEMBL896185)	Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane
50037960	1	ChEMBL_445899 (CHEMBL896189)	Inhibition of Streptococcus pneumoniae FabK
50037961	2	ChEMBL_445993 (CHEMBL896286)	Antagonist activity at human alpha-7 nAChR in tsA201 cells coexpressed with Ric3 by FMP assay
50037961	3	ChEMBL_445995 (CHEMBL896288)	Antagonist activity at human 5HT3A receptor expressed in HEK293 cells by FMP assay
50037961	4	ChEMBL_445990 (CHEMBL896283)	Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor
50037961	5	ChEMBL_445992 (CHEMBL896285)	Displacement of [3H]GR65630 from human 5HT3A receptor in HEK293 cells
50037961	6	ChEMBL_445991 (CHEMBL896284)	Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3
50037961	7	ChEMBL_445997 (CHEMBL896290)	Antagonist activity at human glycine alpha-1 receptor in HEK293 cells by FMP assay
50037961	8	ChEMBL_446016 (CHEMBL894076)	Antagonist activity at human alpha7nAChR co-expressed with human Ric3 in tsA201 cells by FMP assay
50037962	1	ChEMBL_446049 (CHEMBL895145)	Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells
50037962	2	ChEMBL_446050 (CHEMBL895146)	Binding affinity to mGluR5 receptor expressed in BHK cells
50037962	3	ChEMBL_446048 (CHEMBL895144)	Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells
50037962	4	ChEMBL_446051 (CHEMBL895143)	Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells
50037963	1	ChEMBL_446237 (CHEMBL895342)	Vasodilating activity against phenylephrine-induced contractions in rat thoracic aorta
50037963	2	ChEMBL_446233 (CHEMBL895338)	Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction
50037963	3	ChEMBL_446227 (CHEMBL895332)	Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one
50037963	4	ChEMBL_446229 (CHEMBL895334)	Vasodilating activity against phenylephrine-induced contraction in rat thoracic aorta in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one
50037963	5	ChEMBL_446228 (CHEMBL895333)	Agonist activity at adrenergic beta2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in presence of propranolol
50037964	1	ChEMBL_446248 (CHEMBL895353)	Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 384-well plate membranes
50037964	2	ChEMBL_446251 (CHEMBL894289)	Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 384-well plate membranes
50037964	4	ChEMBL_446247 (CHEMBL895352)	Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranes
50037964	5	ChEMBL_446249 (CHEMBL895354)	Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate cells
50037964	7	ChEMBL_446250 (CHEMBL895355)	Inhibition of human vasopressin V1a receptor expressed in COS7 cells by HTRF-FRET assay using 96-well plate membranes
50037964	8	ChEMBL_446242 (CHEMBL895347)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells
50037964	9	ChEMBL_446241 (CHEMBL895348)	Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells
50037964	10	ChEMBL_446244 (CHEMBL895350)	Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells
50037964	11	ChEMBL_446243 (CHEMBL895349)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells
50037965	1	ChEMBL_446304 (CHEMBL895407)	Inhibition of human recombinant acetylcholinesterase
50037965	2	ChEMBL_446305 (CHEMBL895408)	Inhibition of human recombinant butyrylcholinesterase
50037966	1	ChEMBL_446527 (CHEMBL895698)	Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay
50037966	2	ChEMBL_446533 (CHEMBL896830)	Displacement of [125I]DIO from 5HT2c receptor
50037966	3	ChEMBL_446535 (CHEMBL896832)	Inhibition of CYP2D6
50037966	4	ChEMBL_446528 (CHEMBL895699)	Agonist activity at human recombinant GHSR1a expressed in HEK293F cells assessed as stimulation of [35S]GTP-gamma-S binding relative to ghrelin
50000860	6	ChEMBL_1696561 (CHEMBL4047451)	Inhibition of human ERG expressed in CHO cells by Ionworks electrophysiology method
50000860	7	ChEMBL_1696557 (CHEMBL4047447)	Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin peptide as substrate measured after 30 mins by TR-FRET assay
50000859	1	ChEBML_1696556	Inhibition of human CDK5
50000860	1	ChEBML_1696559	Inhibition of recombinant human MAO-A expressed in supersomes using kynuramine as substrate by LC-MS/MS analysis
50000860	2	ChEMBL_1696558 (CHEMBL4047448)	Binding affinity to LSD1 (unknown origin) by SPR analysis
50000860	3	ChEBML_1696557	Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin peptide as substrate measured after 30 mins by TR-FRET assay
50037967	1	ChEMBL_446661 (CHEMBL896956)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding
50000864	2	ChEMBL_1696638 (CHEMBL4047528)	Binding affinity to BRD4 BD2 (unknown origin)
50000860	5	ChEBML_1696560	Inhibition of recombinant human MAO-B expressed in supersomes using kynuramine as substrate by LC-MS/MS analysis
50000864	4	ChEMBL_1696618 (CHEMBL4047508)	Inhibition of BRD4 BD1-BD2 (unknown origin) using tetraacetylated histone peptide as substrate after 2 hrs by alphascreen assay
50000862	1	ChEBML_1696566	Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLIPR assay
50000862	2	ChEBML_1696565	Agonist activity at mouse NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLIPR assay
50000862	3	ChEBML_1696564	Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLIPR assay
50000862	4	ChEBML_1696563	Agonist activity at human NMUR1 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLIPR assay
50037968	1	ChEMBL_446746 (CHEMBL895925)	Inhibition of hERG by patch clamp assay
50037969	1	ChEMBL_446753 (CHEMBL897052)	Inhibition of JAK2 by kinase-Glo luminescent assay
50037969	2	ChEMBL_446752 (CHEMBL897051)	Inhibition of JAK3 by kinase-Glo luminescent assay
50037970	1	ChEMBL_446788 (CHEMBL897087)	Inhibition of human GR
50037970	2	ChEMBL_446787 (CHEMBL897086)	Inhibition of TR by DTNB-coupled assay
50037971	1	ChEMBL_447441 (CHEMBL895358)	Inhibition of bovine aldose reductase
50037972	1	ChEMBL_447824 (CHEMBL898074)	Inhibition of human factor 10a
50037972	2	ChEMBL_447833 (CHEMBL898083)	Inhibition of human urokinase
50037972	3	ChEMBL_447826 (CHEMBL898076)	Inhibition of human thrombin
50037972	4	ChEMBL_447832 (CHEMBL898082)	Inhibition of human tPA
50037972	5	ChEMBL_447831 (CHEMBL898081)	Inhibition of human plasmin
50037972	6	ChEMBL_447829 (CHEMBL898079)	Inhibition of human factor 11a
50037972	7	ChEMBL_447828 (CHEMBL898078)	Inhibition of human factor 7a
50037972	8	ChEMBL_447834 (CHEMBL898084)	Inhibition of human plasma kallikrein
50037973	1	ChEMBL_447846 (CHEMBL898096)	Inhibition of PTP1B by colorimetric assay
50037974	1	ChEMBL_447932 (CHEMBL898183)	Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction
50037974	2	ChEMBL_447936 (CHEMBL898186)	Inhibition of COX2 in human whole blood after 15 mins
50037974	3	ChEMBL_447935 (CHEMBL898176)	Inhibition of COX1 in human whole blood after 15 mins
50037975	1	ChEMBL_448048 (CHEMBL898303)	Inhibition of Saccharomyces cerevisiae low molecular weight Protein-tyrosine phosphatase Ltp1
50037975	2	ChEMBL_448045 (CHEMBL898300)	Inhibition of human protein-tyrosine phosphatase 1B
50037975	3	ChEMBL_448047 (CHEMBL898302)	Inhibition of human low molecular weight Protein-tyrosine phosphatase IF2
50037975	4	ChEMBL_448049 (CHEMBL898304)	Inhibition of human T cell protein-tyrosine phosphatase
50037975	5	ChEMBL_448050 (CHEMBL898305)	Inhibition of human leukocyte antigen related protein-tyrosine phosphatase
50037975	6	ChEMBL_448046 (CHEMBL898301)	Inhibition of human low molecular weight Protein-tyrosine phosphatase IF1
50037975	7	ChEMBL_448051 (CHEMBL898306)	Inhibition of human protein-tyrosine phosphatase beta
50037976	1	ChEMBL_448895 (CHEMBL898041)	Inhibition of human cloned catalytic domain CA9 by CO2 hydration method
50037976	2	ChEMBL_448893 (CHEMBL898039)	Inhibition of human cloned CA1 by CO2 hydration method
50037976	3	ChEMBL_448894 (CHEMBL898040)	Inhibition of human cloned CA2 by CO2 hydration method
50037977	1	ChEMBL_448944 (CHEMBL899207)	Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cell
50037977	2	ChEMBL_448943 (CHEMBL899206)	Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cell
50037977	3	ChEMBL_448942 (CHEMBL899205)	Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cell
50037978	1	ChEMBL_449134 (CHEMBL899399)	Inhibition of PTP1B after 10 mins
50037978	2	ChEMBL_449139 (CHEMBL899404)	Inhibition of yeast PTP1 after 10 mins
50037978	3	ChEMBL_449135 (CHEMBL899400)	Inhibition of TC-PTP after 10 mins
50037978	4	ChEMBL_449136 (CHEMBL899401)	Inhibition of SHP-1 catalytic domain after 10 mins
50037979	1	ChEMBL_449398 (CHEMBL899664)	Inhibition of sodium channel NaV1.8 expressed in rat ND7/23 cells by FLIPR assay
50037980	1	ChEMBL_449465 (CHEMBL899730)	Inhibition of human recombinant DPP4
50037980	2	ChEMBL_449466 (CHEMBL899732)	Inhibition of human recombinant DPP2
50037980	3	ChEMBL_449469 (CHEMBL899735)	Inhibition of FAP
50037980	4	ChEMBL_449483 (CHEMBL899749)	Inhibition of DPP9
50037980	5	ChEMBL_449467 (CHEMBL899733)	Inhibition of human recombinant DPP8
50037980	6	ChEMBL_449482 (CHEMBL899731)	Inhibition of DPP3
50037981	1	ChEMBL_449594 (CHEMBL898689)	Inhibition of human 15-hLO2
50037981	2	ChEMBL_449592 (CHEMBL898687)	Inhibition of human 12-hLO
50037981	3	ChEMBL_449593 (CHEMBL898688)	Inhibition of human 15-hLO1
50037982	1	ChEMBL_449604 (CHEMBL898699)	Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay
50037982	2	ChEMBL_449603 (CHEMBL898698)	Inhibition of human recombinant CA 2 assessed as CO2 hydration by stopped flow kinetic assay
50037982	3	ChEMBL_449602 (CHEMBL898697)	Inhibition of human recombinant CA 1 assessed as CO2 hydration by stopped flow kinetic assay
50037983	1	ChEMBL_449738 (CHEMBL898844)	Inhibition of soybean recombinant SMT expressed in Escherichia coli
50037984	1	ChEMBL_450002 (CHEMBL898066)	Inhibition of PIM2
50037984	2	ChEMBL_450001 (CHEMBL898070)	Inhibition of PAK4
50037984	4	ChEMBL_450004 (CHEMBL899103)	Inhibition of ABL
50037984	6	ChEMBL_450011 (CHEMBL899084)	Inhibition of AKT1
50037984	7	ChEMBL_450000 (CHEMBL898069)	Inhibition of EGFR
50037984	8	ChEMBL_450006 (CHEMBL899105)	Inhibition of Aurora A
50037984	9	ChEMBL_450003 (CHEMBL899102)	Inhibition of p70S6K
50037984	10	ChEMBL_450012 (CHEMBL899109)	Inhibition of MASK
50037984	11	ChEMBL_450007 (CHEMBL899106)	Inhibition of human SGK
50037984	12	ChEMBL_450009 (CHEMBL899108)	Inhibition of NEK2
50037984	14	ChEMBL_449998 (CHEMBL899083)	Inhibition of human LCK
50037984	15	ChEMBL_449999 (CHEMBL898068)	Inhibition of INSR
50037984	16	ChEMBL_450015 (CHEMBL899111)	Inhibition of CK1delta
50037984	17	ChEMBL_450005 (CHEMBL899104)	Inhibition of CAMK1
50037985	1	ChEMBL_450031 (CHEMBL899127)	Inhibition of Wistar rat brain AChE by Ellman colorimetric assay
50037985	2	ChEMBL_450032 (CHEMBL899128)	Inhibition of human serum AChE by Ellman colorimetric assay
50037985	3	ChEMBL_450033 (CHEMBL899129)	Inhibition of electric eel AChE by Ellman colorimetric assay
50037986	1	ChEMBL_450048 (CHEMBL899145)	Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells
50037986	2	ChEMBL_450045 (CHEMBL899142)	Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells
50037986	3	ChEMBL_450046 (CHEMBL899143)	Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells
50037986	4	ChEMBL_450049 (CHEMBL899146)	Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells
50037986	5	ChEMBL_450047 (CHEMBL899144)	Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells
50037987	1	ChEMBL_450119 (CHEMBL900394)	Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK
50037987	2	ChEMBL_450121 (CHEMBL900393)	Inhibition of Escherichia coli enoyl-ACP reductase FabI
50000864	1	ChEBML_1696637	Binding affinity to BRD4 BD1 (unknown origin)
50000867	1	ChEMBL_1696732 (CHEMBL4047622)	Inhibition of IRAK4 (unknown origin) using fluorescent labelled IPTSPITTTYFFFKKK peptide as substrate after 60 mins by caliper assay
50037989	1	ChEMBL_450484 (CHEMBL900768)	Binding affinity to HBcAg
50037990	1	ChEMBL_450735 (CHEMBL901018)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50037990	2	ChEMBL_450737 (CHEMBL901020)	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50037990	3	ChEMBL_450736 (CHEMBL901019)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50037990	4	ChEMBL_450740 (CHEMBL901023)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50037990	5	ChEMBL_450738 (CHEMBL901021)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation
50037991	1	ChEMBL_451095 (CHEMBL900175)	Inhibition of Electrophorus electricus Acetylcholinesterase
50037991	2	ChEMBL_451097 (CHEMBL900177)	Inhibition of human Acetylcholinesterase
50037991	3	ChEMBL_451100 (CHEMBL900173)	Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor
50037991	4	ChEMBL_451096 (CHEMBL900176)	Inhibition of Torpedo californica Acetylcholinesterase
50037992	1	ChEMBL_451365 (CHEMBL901568)	Inhibition of MMP2
50037992	2	ChEMBL_451366 (CHEMBL901569)	Inhibition of MMP8
50037992	3	ChEMBL_451368 (CHEMBL901571)	Inhibition of MMP13
50037992	4	ChEMBL_451367 (CHEMBL901570)	Inhibition of MMP9
50037993	1	ChEMBL_451437 (CHEMBL901638)	Activity at VDR in rat osteosarcoma cells assessed as 24-hydroxylase transcription by reporter gene assay
50037993	2	ChEMBL_451433 (CHEMBL901634)	Displacement of 1-alpha,25-dihydroxyvitamin from rat recombinant VDR
50037994	1	ChEMBL_451646 (CHEMBL901857)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50037995	1	ChEMBL_451678 (CHEMBL901887)	Displacement of [3H]ZM-241385 from adenosine A2A receptor expressed in PC12 cell membrane
50037995	2	ChEMBL_451675 (CHEMBL901888)	Displacement of [3H]CPX from adenosine A1 receptor expressed in DDT1 MF2 cells
50037995	3	ChEMBL_451676 (CHEMBL901889)	Agonist activity at adenosine A1 receptor expressed in DDT1 MF2 cells assessed as inhibition of (-)-isoproterenol-stimulated cAMP accumulation
50037996	1	ChEMBL_451931 (CHEMBL901089)	Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells
50037996	2	ChEMBL_451932 (CHEMBL901090)	Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells
50000865	1	ChEBML_1696692	Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins followed by 5-oxo-ETE addition measured after 1 min by fluorescence assay
50037997	3	ChEMBL_451972 (CHEMBL901130)	Binding affinity to endothiapepsin by Biocore ISA
50037998	1	ChEMBL_452250 (CHEMBL901402)	Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromboxane B2 production
50037998	2	ChEMBL_452249 (CHEMBL901401)	Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production
50037999	1	ChEMBL_452528 (CHEMBL901752)	Inhibition of rat plasmin
50037999	2	ChEMBL_452510 (CHEMBL902749)	Inhibition of human plasmin
50037999	3	ChEMBL_452507 (CHEMBL902746)	Inhibition of human recombinant tPA
50037999	4	ChEMBL_452505 (CHEMBL902744)	Inhibition of human uPA
50037999	5	ChEMBL_452526 (CHEMBL901750)	Inhibition of mouse uPA
50037999	6	ChEMBL_452515 (CHEMBL902753)	Inhibition of factor 10a
50037999	7	ChEMBL_452512 (CHEMBL902751)	Inhibition of human thrombin
50037999	8	ChEMBL_452527 (CHEMBL901751)	Inhibition of mouse plasmin
50037999	9	ChEMBL_452529 (CHEMBL901753)	Inhibition of rat thrombin
50037999	10	ChEMBL_452530 (CHEMBL901754)	Inhibition of mouse thrombin
50037999	11	ChEMBL_452525 (CHEMBL901749)	Inhibition of rat uPA
50038000	1	ChEMBL_452857 (CHEMBL903100)	Inhibition of human CYP1A2
50038000	2	ChEMBL_452860 (CHEMBL903103)	Inhibition of human CYP2D6
50038000	3	ChEMBL_452863 (CHEMBL903106)	Inhibition of human CYP3A4 using 7-{3-(4-phenylpiperazin-1-ylmethyl)benzyl}resorufin substrate
50038000	4	ChEMBL_452862 (CHEMBL903105)	Inhibition of human CYP3A4 using 7-benzloxyquinolone substrate
50038000	5	ChEMBL_452859 (CHEMBL903102)	Inhibition of human CYP2C9
50038000	6	ChEMBL_452861 (CHEMBL903104)	Inhibition of human CYP3A4 using diethoxyfluorescein substrate
50038000	7	ChEMBL_452858 (CHEMBL903101)	Inhibition of human CYP2C19
50038001	1	ChEMBL_452954 (CHEMBL902099)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay
50038001	3	ChEMBL_452957 (CHEMBL902102)	Agonist activity at human cloned P2Y6 receptor expressed in human 1321N1 by FLIPR assay
50038001	4	ChEMBL_452956 (CHEMBL902101)	Agonist activity at human cloned P2Y4 receptor expressed in human 1321N1 by FLIPR assay
50038001	2	ChEMBL_452955 (CHEMBL902100)	Agonist activity at human cloned P2Y1 receptor expressed in human 1321N1 by FLIPR assay
50038002	1	ChEMBL_452981 (CHEMBL902126)	Inhibition of Saccharomyces cerevisiae oxidosqualene cyclase
50038002	2	ChEMBL_452982 (CHEMBL902127)	Inhibition of human oxidosqualene cyclase expressed in Pichia pastoris cells
50038002	3	ChEMBL_452980 (CHEMBL902125)	Inhibition of Pneumocystis carinii oxidosqualene cyclase
50038003	1	ChEMBL_453027 (CHEMBL902174)	Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay
50038004	1	ChEMBL_453247 (CHEMBL902401)	Activity at human recombinant S1P3 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
50038004	2	ChEMBL_453246 (CHEMBL902400)	Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
50038004	3	ChEMBL_453248 (CHEMBL902402)	Activity at human recombinant S1P4 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
50038004	4	ChEMBL_453249 (CHEMBL902403)	Activity at human recombinant S1P5 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
50038005	1	ChEMBL_453265 (CHEMBL901413)	Inhibition of human recombinant PARP1 in U251MG cells by CometAssay
50038006	1	ChEMBL_453274 (CHEMBL902429)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay
50038006	2	ChEMBL_453275 (CHEMBL902430)	Agonist activity at human cloned P2Y1 receptor expressed in human 1321N1 by FLIPR assay
50038006	3	ChEMBL_453276 (CHEMBL902431)	Agonist activity at human cloned P2Y4 receptor expressed in human 1321N1 by FLIPR assay
50038007	1	ChEMBL_453297 (CHEMBL902452)	Agonist activity at human P2Y14 receptor expressed in COS7 cells assessed as stimulation of PLC
50038008	1	ChEMBL_453319 (CHEMBL902474)	Inhibition of T-type calcium channel Cav3.1 expressed in HEK293 cells co-expressing alpha1G subunit and Kir2.1 potassium channel by patch-clamp assay
50038009	1	ChEMBL_453674 (CHEMBL885675)	Inhibition of Bacillus subtilis histidine kinase YycG
50038010	1	ChEMBL_453855 (CHEMBL885857)	Inhibition of porcine TACE
50038012	1	ChEMBL_454110 (CHEMBL903301)	Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells
50038013	1	ChEMBL_454217 (CHEMBL903400)	Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells
50038013	2	ChEMBL_454215 (CHEMBL903398)	Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells
50000867	2	ChEBML_1696733	Inhibition of JAK3 (unknown origin) by caliper assay
50000867	3	ChEBML_1696732	Inhibition of IRAK4 (unknown origin) using fluorescent labelled IPTSPITTTYFFFKKK peptide as substrate after 60 mins by caliper assay
50038014	1	ChEMBL_454239 (CHEMBL903422)	Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocorticoid response element-linked luciferase reporter gene assay
50038014	2	ChEMBL_454240 (CHEMBL903423)	Antagonist activity at progesterone receptor expressed in human T47 cells assessed as blockade of progesterone-induced alkaline phosphatase activity
50038015	1	ChEMBL_454453 (CHEMBL903630)	Inhibition of human telomerase by TRAP assay
50038016	1	ChEMBL_454643 (CHEMBL886663)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
50038016	2	ChEMBL_454646 (CHEMBL886666)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
50038016	3	ChEMBL_454644 (CHEMBL886664)	Displacement of [3H]mesurgeline from human 5HT2C receptor expressed in CHO cells
50038016	4	ChEMBL_454647 (CHEMBL886667)	Displacement of [3H]dofetilide from hERG expressed in HEK cells
50038017	1	ChEMBL_454747 (CHEMBL886770)	Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation
50038017	2	ChEMBL_454748 (CHEMBL886771)	Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation
50000867	4	ChEMBL_1696735 (CHEMBL4047625)	Inhibition of IRAK4 in human PBMC assessed as reduction in LTA-stimulated IL6 production pretreated for 30 mins followed by LTA stimulation after 5 hrs by ELISA
50038017	4	ChEMBL_454744 (CHEMBL886766)	Inhibition of human TK1 assessed as [methyl-3H]dThd phosphorylation
50038017	5	ChEMBL_454746 (CHEMBL886768)	Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation
50038017	6	ChEMBL_454745 (CHEMBL886767)	Inhibition of human TK2 assessed as [methyl-3H]dThd phosphorylation
50038017	7	ChEMBL_454750 (CHEMBL885685)	Inhibition of Drosophila melanogaster dGK assessed as [methyl-3H]dThd phosphorylation
50038017	8	ChEMBL_454759 (CHEMBL886787)	Inhibition of human fibroblast mitochondrial deoxyguanosine kinase
50038018	1	ChEMBL_454761 (CHEMBL886789)	Agonist activity at human GHS-R1
50038019	1	ChEMBL_454770 (CHEMBL886798)	Inhibition of pig kidney DPP4
50038019	2	ChEMBL_454762 (CHEMBL886790)	Inhibition of DPP4
50038019	3	ChEMBL_454767 (CHEMBL886795)	Inhibition of POP
50038019	4	ChEMBL_454765 (CHEMBL886793)	Inhibition of DPP9
50038019	5	ChEMBL_454764 (CHEMBL886792)	Inhibition of DPP8
50038019	6	ChEMBL_454763 (CHEMBL886791)	Inhibition of DPP2
50038019	7	ChEMBL_454766 (CHEMBL886794)	Inhibition of APN
50000868	5	ChEMBL_1696786 (CHEMBL4047676)	Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential measured for 9 mins by Qpatch clamp method
50038020	2	ChEMBL_454825 (CHEMBL886853)	Inhibition of human recombinant PDE7A by [3H]cGMP scintillation proximity assay
50038020	3	ChEMBL_454824 (CHEMBL886852)	Inhibition of human recombinant PDE4D by [3H]cGMP scintillation proximity assay
50038020	4	ChEMBL_454827 (CHEMBL886855)	Inhibition of adenosine A1 receptor
50000868	1	ChEBML_1696777	Inhibition of HDAC1 (unknown origin)
50038020	5	ChEMBL_454823 (CHEMBL886851)	Inhibition of human recombinant PDE4B by [3H]cGMP scintillation proximity assay
50038021	1	ChEMBL_454902 (CHEMBL886931)	Inhibition of human recombinant GSK3-beta
50038021	2	ChEMBL_454903 (CHEMBL886932)	Inhibition of human recombinant PKCbeta2
50038021	3	ChEMBL_455008 (CHEMBL887037)	Inhibition of human Rsk2
50038021	4	ChEMBL_455007 (CHEMBL887036)	Inhibition of human Rsk1
50038021	5	ChEMBL_455009 (CHEMBL887038)	Inhibition of human Rsk3
50038021	6	ChEMBL_455005 (CHEMBL885893)	Inhibition of human MSK1
50038021	7	ChEMBL_455010 (CHEMBL887039)	Inhibition of human TrkB
50038021	8	ChEMBL_455006 (CHEMBL885894)	Inhibition of human PKCtheta
50038022	1	ChEMBL_455175 (CHEMBL887205)	Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
50038022	2	ChEMBL_455176 (CHEMBL887206)	Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
50038022	3	ChEMBL_455178 (CHEMBL872901)	Antagonist activity at human S1P3 receptor expressed in CHO cell membrane by FLIPR assay
50038022	4	ChEMBL_455179 (CHEMBL872902)	Antagonist activity at human S1P4 receptor expressed in CHO cell membrane by FLIPR assay
50038022	5	ChEMBL_455177 (CHEMBL887207)	Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay
50038023	1	ChEMBL_455453 (CHEMBL886229)	Inhibition of HCMV DNA polymerase by scintillation proximity assay
50038024	1	ChEMBL_455545 (CHEMBL886324)	Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assay
50038024	2	ChEMBL_455543 (CHEMBL886322)	Binding affinity to human recombinant ERbeta by scintillation proximity assay
50038024	3	ChEMBL_455546 (CHEMBL886325)	Agonist activity at human recombinant ERbeta expressed in HEK293 cells by transactivation assay
50038024	4	ChEMBL_455542 (CHEMBL886321)	Binding affinity to human recombinant ERalpha by scintillation proximity assay
50038024	5	ChEMBL_455548 (CHEMBL886327)	Binding affinity to androgen receptor
50038025	1	ChEMBL_455571 (CHEMBL886351)	Inhibition of electric eel AChE
50038025	2	ChEMBL_455572 (CHEMBL886352)	Inhibition of equine serum BuChE
50038026	1	ChEMBL_455777 (CHEMBL887783)	Inhibition of human 11beta-HSD2 expressed in CHO cells
50038026	2	ChEMBL_455776 (CHEMBL887782)	Inhibition of human 11beta-HSD1 expressed in CHO cells
50038027	1	ChEMBL_456068 (CHEMBL888077)	Inhibition of IGF1R
50038027	2	ChEMBL_456070 (CHEMBL888079)	Inhibition of 15 LOX
50038028	1	ChEMBL_456153 (CHEMBL888163)	Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells
50038029	1	ChEMBL_456220 (CHEMBL888230)	Agonist activity at EP2 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038029	2	ChEMBL_456222 (CHEMBL888232)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK293 cells
50038029	3	ChEMBL_456221 (CHEMBL888231)	Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293 cells
50038029	4	ChEMBL_456223 (CHEMBL888233)	Agonist activity at EP4 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038029	5	ChEMBL_456218 (CHEMBL888228)	Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cells
50000872	1	ChEMBL_1696835 (CHEMBL4047725)	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured after 15 mins in presence of plasma by spectrophotometric method
50038029	6	ChEMBL_456219 (CHEMBL888229)	Displacement of [3H]PGE2 from human EP2 receptor expressed in HEK293 cells
50000868	3	ChEBML_1696779	Inhibition of HDAC8 (unknown origin)
50038030	1	ChEMBL_456458 (CHEMBL887279)	Agonist activity at human PPARgamma by transactivation assay
50038030	2	ChEMBL_456459 (CHEMBL887280)	Agonist activity at human PPARdelta by transactivation assay
50038030	3	ChEMBL_456457 (CHEMBL887278)	Agonist activity at human PPARalpha by transactivation assay
50038031	1	ChEMBL_456708 (CHEMBL923066)	Inhibition of Plasmodium falciparum Pfmrk
50038032	1	ChEMBL_456803 (CHEMBL923154)	Inhibition of Streptococcus pneumoniae KU197 FabK
50038033	1	ChEMBL_457003 (CHEMBL923346)	Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart
50038033	2	ChEMBL_457002 (CHEMBL923345)	Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland
50038034	1	ChEMBL_457051 (CHEMBL923387)	Inhibition of mashroom tyrosinase
50038035	1	ChEMBL_457104 (CHEMBL924480)	Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells
50038035	2	ChEMBL_457105 (CHEMBL924481)	Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells
50038035	3	ChEMBL_457106 (CHEMBL924482)	Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells
50038036	1	ChEMBL_457358 (CHEMBL940949)	Inhibition of Pseudomonas aeruginosa ExsA binding to DNA
50038037	1	ChEMBL_457362 (CHEMBL940953)	Inhibition of Mycobacterium tuberculosis FabH
50038038	1	ChEMBL_457379 (CHEMBL940970)	Inhibition of DAT
50038038	2	ChEMBL_457377 (CHEMBL940969)	Inhibition of human SERT
50038038	3	ChEMBL_457381 (CHEMBL941900)	Inhibition of NET
50038039	1	ChEMBL_457478 (CHEMBL941996)	Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus
50038039	2	ChEMBL_457479 (CHEMBL941997)	Antagonist activity at human glucocorticoid receptor in SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression by MMTV5 reporter gene assay
50038039	3	ChEMBL_457487 (CHEMBL942005)	Binding affinity to glucocorticoid receptor in SW1353 cells by whole-cell binding assay
50000868	4	ChEBML_1696778	Inhibition of HDAC6 (unknown origin)
50000873	11	ChEMBL_1696845 (CHEMBL4047735)	Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence assay
50000869	1	ChEBML_1696807	Inhibition of CDC7 (unknown origin)
50000869	2	ChEBML_1696806	Inhibition of CDK9 (unknown origin)
50000869	3	ChEBML_1696795	Inhibition of PIM1 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay
50000869	4	ChEBML_1696796	Inhibition of PIM2 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay
50000869	5	ChEBML_1696797	Inhibition of PIM3 (unknown origin) assessed as reduction in full length human BAD phosphorylation at Ser112 residues by TR-FRET assay
50000870	1	ChEBML_1696808	Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins
50000871	1	ChEBML_1696823	Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-3-isobutylxanthine by radioimmunoassay
50038041	1	ChEMBL_457726 (CHEMBL924003)	Inhibition of Escherichia coli primase
50038042	1	ChEMBL_457728 (CHEMBL924005)	Inhibition of Holtzman-Sprague-Dawley rat liver HMG CoA reductase after 30 mins
50038043	1	ChEMBL_457751 (CHEMBL924028)	Antagonist activity at glucocorticoid receptor expressed in A549 cells assessed as inhibition of corticoid-induced gene transcription by luciferase reporter gene assay
50038043	2	ChEMBL_457750 (CHEMBL924027)	Antagonist activity at progesterone receptor expressed in human T47D cells assessed as inhibition of promegestone-induced alkaline phosphatase activity
50038044	1	ChEMBL_457876 (CHEMBL924148)	Inhibition of DPP8
50038044	2	ChEMBL_457875 (CHEMBL924147)	Inhibition of QPP
50038044	3	ChEMBL_457877 (CHEMBL924149)	Inhibition of DPP9
50038044	4	ChEMBL_457874 (CHEMBL924146)	Inhibition of DPP4
50038045	1	ChEMBL_458048 (CHEMBL925386)	Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells
50038045	2	ChEMBL_458050 (CHEMBL925388)	Displacement of [3H]CP-55940 form human CB1 receptor expressed in CHO cells
50038045	3	ChEMBL_458051 (CHEMBL925389)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50038046	1	ChEMBL_458137 (CHEMBL925470)	Agonist activity at ERbeta expressed in HEK293 cells by transactivation assay
50038046	2	ChEMBL_458140 (CHEMBL925473)	Binding affinity at AR
50038046	3	ChEMBL_458135 (CHEMBL925468)	Binding affinity at human recombinant ERbeta
50038046	4	ChEMBL_458134 (CHEMBL925467)	Binding affinity at human recombinant ERalpha
50038046	5	ChEMBL_458136 (CHEMBL925469)	Agonist activity at ERalpha expressed in HEK293 cells by transactivation assay
50038047	1	ChEMBL_458246 (CHEMBL925581)	Inhibition of bovine acetylcholinesterase
50038048	1	ChEMBL_458317 (CHEMBL925648)	Agonist activity at human prostaglandin EP2 receptor
50038048	2	ChEMBL_458316 (CHEMBL925647)	Binding affinity at human prostaglandin EP2 receptor
50038048	3	ChEMBL_458318 (CHEMBL925649)	Binding affinity at human prostaglandin EP4 receptor
50038048	4	ChEMBL_458319 (CHEMBL925650)	Agonist activity at human prostaglandin EP4 receptor
50038049	1	ChEMBL_458373 (CHEMBL941707)	Inhibition of Pin1 PPIase activity
50038050	3	ChEMBL_458378 (CHEMBL941712)	Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells
50000872	2	ChEBML_1696835	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured after 15 mins in presence of plasma by spectrophotometric method
50038050	1	ChEMBL_458383 (CHEMBL942702)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay
50000873	2	ChEBML_1696905	Displacement of [3H]mesulergine from recombinant human 5-ht2B expressed in CHO cells
50000873	3	ChEBML_1696906	Displacement of [3H]mesulergine from recombinant human 5-ht2C expressed in CHO cells
50000873	4	ChEBML_1696907	Displacement of [3H]prazosin from rat salivary gland adrenergic alpha1a receptor
50000873	5	ChEBML_1696908	Displacement of [3H]AF-DX 384 from recombinant human M1 receptor expressed in CHO cells
50000873	6	ChEBML_1696884	Inhibition of human CYP2C9
50000873	7	ChEBML_1696885	Inhibition of human CYP2C19
50000873	8	ChEBML_1696887	Inhibition of human CYP3A4
50000874	8	ChEMBL_1696921 (CHEMBL4047811)	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 1.7 mins by Fluo-4 AM dye based fluorescence assay
50038051	1	ChEMBL_458398 (CHEMBL942719)	Inhibition of AKT1
50038051	2	ChEMBL_458400 (CHEMBL942720)	Inhibition of DYRK1A
50038051	3	ChEMBL_458503 (CHEMBL941819)	Inhibition of TRKA
50038051	5	ChEMBL_458469 (CHEMBL941786)	Inhibition of MAP4K2
50038051	6	ChEMBL_458442 (CHEMBL941760)	Inhibition of FLT1
50000873	9	ChEBML_1696883	Inhibition of human CYP1A2
50038051	7	ChEMBL_458485 (CHEMBL941801)	Inhibition of PKN2
50000873	10	ChEBML_1696886	Inhibition of human CYP2D6
50038051	8	ChEMBL_458458 (CHEMBL941775)	Inhibition of KDR
50038051	9	ChEMBL_458399 (CHEMBL942721)	Inhibition of MK2
50038051	10	ChEMBL_458473 (CHEMBL941790)	Inhibition of NEK3
50038051	11	ChEMBL_458459 (CHEMBL941776)	Inhibition of LCK
50038051	12	ChEMBL_458428 (CHEMBL942749)	Inhibition of CAMK4
50000874	1	ChEBML_1696921	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured after 1.7 mins by Fluo-4 AM dye based fluorescence assay
50038051	13	ChEMBL_458495 (CHEMBL941811)	Inhibition of STK33
50038051	14	ChEMBL_458411 (CHEMBL942732)	Inhibition of c-kit
50038051	16	ChEMBL_458452 (CHEMBL941770)	Inhibition of IKK beta
50038051	18	ChEMBL_458401 (CHEMBL942722)	Inhibition of MSK2
50000874	2	ChEBML_1696934	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50038051	19	ChEMBL_458507 (CHEMBL941823)	Inhibition of ZIPk
50038051	20	ChEMBL_458462 (CHEMBL941779)	Inhibition of MINK1
50038051	21	ChEMBL_458463 (CHEMBL941780)	Inhibition of MK3
50038051	22	ChEMBL_458498 (CHEMBL941814)	Inhibition of TAOK2
50038051	23	ChEMBL_458464 (CHEMBL941781)	Inhibition of MLK1
50038051	24	ChEMBL_458438 (CHEMBL941756)	Inhibition of ERBB4
50038051	26	ChEMBL_458426 (CHEMBL942747)	Inhibition of CTAK1
50038051	27	ChEMBL_458427 (CHEMBL942748)	Inhibition of CAMK1
50038051	28	ChEMBL_458471 (CHEMBL941788)	Inhibition of NEK11
50038051	29	ChEMBL_458423 (CHEMBL942744)	Inhibition of CHK2
50038051	30	ChEMBL_458470 (CHEMBL941787)	Inhibition of NLK
50038051	31	ChEMBL_458505 (CHEMBL941821)	Inhibition of WNK2
50038051	32	ChEMBL_458409 (CHEMBL942730)	Inhibition of SGK
50038051	33	ChEMBL_458461 (CHEMBL941778)	Inhibition of LYN
50038051	35	ChEMBL_458414 (CHEMBL942735)	Inhibition of PIM1
50038051	36	ChEMBL_458436 (CHEMBL941754)	Inhibition of EPHA2
50038051	37	ChEMBL_458397 (CHEMBL942718)	Inhibition of IRAK1
50038051	38	ChEMBL_458412 (CHEMBL942733)	Inhibition of FLT4
50038051	39	ChEMBL_458410 (CHEMBL942731)	Inhibition of PDK1
50038051	40	ChEMBL_458491 (CHEMBL941807)	Inhibition of ROCK1
50038051	41	ChEMBL_458500 (CHEMBL941816)	Inhibition of TSSK1
50038051	42	ChEMBL_458392 (CHEMBL942713)	Inhibition of GSK3 alpha
50038051	43	ChEMBL_458493 (CHEMBL941809)	Inhibition of RSK2
50038051	44	ChEMBL_458403 (CHEMBL942724)	Inhibition of AKT2
50038051	45	ChEMBL_458496 (CHEMBL941812)	Inhibition of SRC
50038051	46	ChEMBL_458476 (CHEMBL941793)	Inhibition of PAK1
50038051	47	ChEMBL_458474 (CHEMBL941791)	Inhibition of NEK4
50038051	48	ChEMBL_458487 (CHEMBL941803)	Inhibition of PRKX
50038051	49	ChEMBL_458502 (CHEMBL941818)	Inhibition of TYK2
50038051	50	ChEMBL_458454 (CHEMBL941771)	Inhibition of JAK2
50038051	51	ChEMBL_458405 (CHEMBL942726)	Inhibition of PBK
50038051	52	ChEMBL_458417 (CHEMBL942738)	Inhibition of BLK
50038051	53	ChEMBL_458424 (CHEMBL942745)	Inhibition of CLK2
50038051	54	ChEMBL_458494 (CHEMBL941810)	Inhibition of STK31
50038051	55	ChEMBL_458407 (CHEMBL942728)	Inhibition of PLK1
50038051	56	ChEMBL_458419 (CHEMBL942740)	Inhibition of CDK5
50038051	57	ChEMBL_458504 (CHEMBL941820)	Inhibition of TRKB
50038051	58	ChEMBL_458466 (CHEMBL941783)	Inhibition of MSK1
50038051	59	ChEMBL_458486 (CHEMBL941802)	Inhibition of PRAK
50038051	60	ChEMBL_458443 (CHEMBL941761)	Inhibition of FLT3
50038051	61	ChEMBL_458472 (CHEMBL941789)	Inhibition of NEK2
50038051	62	ChEMBL_458501 (CHEMBL941817)	Inhibition of TSSK2
50038051	63	ChEMBL_458475 (CHEMBL941792)	Inhibition of P70S6K
50038051	64	ChEMBL_458393 (CHEMBL942714)	Inhibition of PLK3
50038051	65	ChEMBL_458421 (CHEMBL942742)	Inhibition of CDK7
50038051	66	ChEMBL_458420 (CHEMBL942741)	Inhibition of CDK6
50038051	67	ChEMBL_458434 (CHEMBL941752)	Inhibition of DYRK3
50038051	68	ChEMBL_458435 (CHEMBL941753)	Inhibition of EGFR
50038051	69	ChEMBL_458449 (CHEMBL941767)	Inhibition of IRAK4
50038051	70	ChEMBL_458480 (CHEMBL942707)	Inhibition of PKC delta
50038051	71	ChEMBL_458441 (CHEMBL941759)	Inhibition of FGFR
50038051	72	ChEMBL_458445 (CHEMBL941763)	Inhibition of GSK3 beta
50038051	73	ChEMBL_458425 (CHEMBL942746)	Inhibition of CLK4
50038051	74	ChEMBL_458490 (CHEMBL941806)	Inhibition of PRKCN
50038051	75	ChEMBL_458404 (CHEMBL942725)	Inhibition of AMPK
50038051	76	ChEMBL_458422 (CHEMBL942743)	Inhibition of CDK9
50038051	77	ChEMBL_458437 (CHEMBL941755)	Inhibition of ERBB2
50038051	78	ChEMBL_458448 (CHEMBL941766)	Inhibition of IGF1R
50038051	79	ChEMBL_458408 (CHEMBL942729)	Inhibition of AKT3
50038051	80	ChEMBL_458444 (CHEMBL941762)	Inhibition of FYN
50038051	81	ChEMBL_458468 (CHEMBL941785)	Inhibition of MUSK
50038051	82	ChEMBL_458482 (CHEMBL941798)	Inhibition of PKC zeta
50038051	83	ChEMBL_458450 (CHEMBL941768)	Inhibition of ITK
50038051	84	ChEMBL_458451 (CHEMBL941769)	Inhibition of IKK alpha
50038051	85	ChEMBL_458455 (CHEMBL941772)	Inhibition of JAK3
50038051	86	ChEMBL_458402 (CHEMBL942723)	Inhibition of EMK
50038051	87	ChEMBL_458440 (CHEMBL941758)	Inhibition of FGFR3
50038051	88	ChEMBL_458429 (CHEMBL941747)	Inhibition of CK2
50038051	89	ChEMBL_458467 (CHEMBL941784)	Inhibition of MSSK1
50000874	3	ChEBML_1696937	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50038051	90	ChEMBL_458499 (CHEMBL941815)	Inhibition of TBK1
50000874	4	ChEMBL_1696957 (CHEMBL4047847)	Inhibition of full-length recombinant human DAT expressed in CHOK1 cells assessed as reduction in [3H]dopamine uptake pretreated for 20 mins followed by [3H]dopamine addition measured after 10 mins by scintillation counting method
50038051	91	ChEMBL_458396 (CHEMBL942717)	Inhibition of CDK2
50038051	92	ChEMBL_458413 (CHEMBL942734)	Inhibition of P38delta
50038051	93	ChEMBL_458477 (CHEMBL941794)	Inhibition of PAK4
50038051	94	ChEMBL_458418 (CHEMBL942739)	Inhibition of CDC42BPA
50038051	95	ChEMBL_458394 (CHEMBL942715)	Inhibition of SRPK1
50038051	96	ChEMBL_458431 (CHEMBL941749)	Inhibition of CK1delta
50038051	97	ChEMBL_458453 (CHEMBL942708)	Inhibition of INSR
50038051	98	ChEMBL_458488 (CHEMBL941804)	Inhibition of PIM2
50038051	99	ChEMBL_458432 (CHEMBL941750)	Inhibition of CK1gamma 2
50038051	100	ChEMBL_458481 (CHEMBL941797)	Inhibition of PKC gamma
50038051	101	ChEMBL_458460 (CHEMBL941777)	Inhibition of LIMK1
50038051	102	ChEMBL_458506 (CHEMBL941822)	Inhibition of ZAK
50038051	103	ChEMBL_458510 (CHEMBL941826)	Inhibition of P38 gamma
50038051	104	ChEMBL_458430 (CHEMBL941748)	Inhibition of CK1alpha1
50038051	105	ChEMBL_458416 (CHEMBL942737)	Inhibition of ABL
50038051	106	ChEMBL_458415 (CHEMBL942736)	Inhibition of ARK5
50038051	107	ChEMBL_458465 (CHEMBL941782)	Inhibition of MNK2
50038051	108	ChEMBL_458433 (CHEMBL941751)	Inhibition of DCAMKL2
50038051	109	ChEMBL_458492 (CHEMBL941808)	Inhibition of ROCK2
50038051	110	ChEMBL_458439 (CHEMBL941757)	Inhibition of ERK2
50038052	1	ChEMBL_458570 (CHEMBL941883)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells
50038052	2	ChEMBL_458569 (CHEMBL941882)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50038053	1	ChEMBL_458776 (CHEMBL942076)	Inhibition of cruzain
50038053	2	ChEMBL_458777 (CHEMBL942077)	Inhibition of rhodesain
50038054	1	ChEMBL_458813 (CHEMBL942113)	Inhibition of KSP
50038055	1	ChEMBL_459044 (CHEMBL925136)	Inhibition of human leukocyte elastase
50038056	1	ChEMBL_459055 (CHEMBL925147)	Inhibition of human carbonic anhydrase 6
50038056	2	ChEMBL_459057 (CHEMBL925149)	Inhibition of human carbonic anhydrase 9
50038056	3	ChEMBL_459060 (CHEMBL925152)	Inhibition of human carbonic anhydrase 14
50038056	4	ChEMBL_459054 (CHEMBL925146)	Inhibition of human carbonic anhydrase 5B
50038056	5	ChEMBL_459058 (CHEMBL925150)	Inhibition of human carbonic anhydrase 12
50038056	6	ChEMBL_459049 (CHEMBL925141)	Inhibition of human carbonic anhydrase 1
50038056	7	ChEMBL_459061 (CHEMBL925153)	Inhibition of bovin carbonic anhydrase 4
50038056	8	ChEMBL_459056 (CHEMBL925148)	Inhibition of human carbonic anhydrase 7
50038056	9	ChEMBL_459053 (CHEMBL925145)	Inhibition of human carbonic anhydrase 5A
50038056	10	ChEMBL_459051 (CHEMBL925143)	Inhibition of human carbonic anhydrase 3
50038056	11	ChEMBL_459050 (CHEMBL925142)	Inhibition of human carbonic anhydrase 2
50038056	12	ChEMBL_459052 (CHEMBL925144)	Inhibition of human carbonic anhydrase 4
50038056	13	ChEMBL_459059 (CHEMBL925151)	Inhibition of mouse carbonic anhydrase 13
50038057	1	ChEMBL_459067 (CHEMBL925170)	Inhibition of pancreatic lipase
50038057	2	ChEMBL_459088 (CHEMBL925174)	Inhibition of rat OSC
50038057	4	ChEMBL_459074 (CHEMBL925168)	Inhibition of CETP assessed as transfer of [3H]cholesterol esters from HDL to LDL
50038057	5	ChEMBL_459077 (CHEMBL925157)	Inhibition of rat liver LDM
50038057	6	ChEMBL_459075 (CHEMBL925169)	Inhibition of human CETP assessed as transfer of [3H]cholesterol esters from HDL to LDL in humna plasma
50038057	7	ChEMBL_459087 (CHEMBL925173)	Inhibition of Candida albicans OSC
50038058	1	ChEMBL_459099 (CHEMBL926267)	Inhibition of CYP1A1
50038058	2	ChEMBL_459098 (CHEMBL926266)	Inhibition of CYP1B1
50038058	3	ChEMBL_459091 (CHEMBL926259)	Inhibition of CYP27B1 in human keratinocytes
50038058	4	ChEMBL_459093 (CHEMBL926261)	Inhibition of CYP27B1
50038058	5	ChEMBL_459100 (CHEMBL926268)	Inhibition of CYP1A2
50038058	6	ChEMBL_459094 (CHEMBL926262)	Inhibition of CYP27A1
50038058	7	ChEMBL_459095 (CHEMBL926263)	Inhibition of CYP26
50038058	8	ChEMBL_459092 (CHEMBL926260)	Inhibition of CYP24
50038058	9	ChEMBL_459090 (CHEMBL926258)	Inhibition of CYP24 in human keratinocytes
50038058	10	ChEMBL_459096 (CHEMBL926264)	Inhibition of aryl hydrocarbon receptor
50038060	1	ChEMBL_459330 (CHEMBL926489)	Inhibition of human recombinant GSKbeta
50038061	1	ChEMBL_459365 (CHEMBL925438)	Inhibition of AChE by Ellman method
50038062	1	ChEMBL_459537 (CHEMBL926674)	Inhibition of bovine AChE at 100 uM by Ellman's method
50038062	2	ChEMBL_459538 (CHEMBL926675)	Inhibition of equine BChE at 100 uM by Ellman's method
50038063	1	ChEMBL_459968 (CHEMBL943096)	Inhibition of MMP1
50038063	2	ChEMBL_459971 (CHEMBL943099)	Inhibition of MMP12
50038063	3	ChEMBL_459970 (CHEMBL943098)	Inhibition of MMP9
50038063	4	ChEMBL_459969 (CHEMBL943097)	Inhibition of MMP2
50038064	1	ChEMBL_459972 (CHEMBL943100)	Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction
50038064	2	ChEMBL_459986 (CHEMBL944029)	Agonist activity at PPARalpha expressed in HEK293 cells by GAL4 transactivation assay
50038064	3	ChEMBL_459987 (CHEMBL944030)	Agonist activity at PPARdelta expressed in HEK293 cells by GAL4 transactivation assay
50038064	4	ChEMBL_459988 (CHEMBL944031)	Agonist activity at PPARgamma expressed in HEK293 cells by GAL4 transactivation assay
50038064	5	ChEMBL_459989 (CHEMBL944032)	Agonist activity at PPARgamma expressed in HEK293 cells assessed as aP2 gene induction
50000874	5	ChEBML_1696935	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50038066	1	ChEMBL_460086 (CHEMBL924962)	Displacement of [3H]deltorphin 2 from delta opioid receptor in Wistar rat brain after 45 mins
50038066	2	ChEMBL_460085 (CHEMBL924961)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain after 45 mins
50038066	3	ChEMBL_460091 (CHEMBL924967)	Agonist activity at mu opioid receptor in NMRI mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50038067	1	ChEMBL_460505 (CHEMBL926585)	Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50000874	6	ChEBML_1696936	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate pretreated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50038067	7	ChEMBL_460497 (CHEMBL926577)	Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells
50038067	5	ChEMBL_460498 (CHEMBL926578)	Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation
50000878	6	ChEMBL_1697027 (CHEMBL4047917)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50000878	1	ChEMBL_1697026 (CHEMBL4047916)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50000874	7	ChEBML_1696956	Displacement of [125I]RTI-55 from recombinant human DAT expressed in CHOK1 cells after 3 hrs by scintillation counting method
50038068	1	ChEMBL_460665 (CHEMBL927731)	Antagonist activity at mGluR5 in Sprague-Dawley rat astrocyte assessed as L-quisqualate induced potentiation of intracellular calcium level by FLIPR assay
50038068	4	ChEMBL_460664 (CHEMBL926738)	Antagonist activity at rat mGluR1 by FLIPR assay
50038068	5	ChEMBL_460668 (CHEMBL927734)	Antagonist activity at human mGluR5 expressed in CHO cells assessed as L-glutamate induced potentiation of intracellular calcium level by FLIPR assay
50000875	1	ChEBML_1696961	Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by dinitrosalicylic acid reagent based assay
50038069	1	ChEMBL_460715 (CHEMBL926786)	Inhibition of mouse recombinant Nav 1.8 channel expressed in HEK293 cells by isotopic efflux assay
50038069	2	ChEMBL_460795 (CHEMBL944736)	Binding affinity to peripheral benzodiazepine receptor
50038069	3	ChEMBL_460799 (CHEMBL944740)	Binding affinity to 5HT2A receptor
50038069	4	ChEMBL_460777 (CHEMBL944718)	Inhibition of hERG potassium channel expressed in CHO cells by isotope efflux assay
50038069	5	ChEMBL_460789 (CHEMBL944730)	Inhibition of human recombinant Nav 1.8 channel expressed in HEK293 cells
50038069	6	ChEMBL_460796 (CHEMBL944737)	Binding affinity to CCKAR
50038069	7	ChEMBL_460767 (CHEMBL943783)	Inhibition of human Nav1.5 channel at 1 uM
50038069	8	ChEMBL_460797 (CHEMBL944738)	Binding affinity to dopamine D1 receptor
50038070	1	ChEMBL_460800 (CHEMBL944741)	Inhibition of yeast ODCase
50038071	1	ChEMBL_461025 (CHEMBL944057)	Inhibition of QPP
50038071	2	ChEMBL_461054 (CHEMBL944086)	Inhibition of amino peptidase P
50038071	3	ChEMBL_461024 (CHEMBL944056)	Inhibition of DPP4
50038071	4	ChEMBL_461058 (CHEMBL944090)	Inhibition of FAP
50038071	5	ChEMBL_461026 (CHEMBL944058)	Inhibition of DPP8
50038071	6	ChEMBL_461055 (CHEMBL944087)	Inhibition of prolidase
50038071	7	ChEMBL_461027 (CHEMBL944059)	Inhibition of DPP9
50038071	8	ChEMBL_461052 (CHEMBL944084)	Inhibition of mouse DPP4 at 3 mg/kg
50000876	1	ChEBML_1697021	Inhibition of T7 RNA polymerase assessed as reduction in RNA product formation using double stranded DNA as substrate after 4 hrs in presence of NTPs by sybrGOLD staining based fluorescence assay (Rvb = 100%)
50038071	9	ChEMBL_461051 (CHEMBL944083)	Inhibition of mouse DPP4 at 1 mg/kg
50000878	2	ChEBML_1697035	Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal kinetic plot analysis
50038072	1	ChEMBL_461106 (CHEMBL945052)	Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst4 receptor
50038072	2	ChEMBL_461104 (CHEMBL945050)	Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst2 receptor
50038072	3	ChEMBL_461103 (CHEMBL945049)	Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst1 receptor
50038072	4	ChEMBL_461105 (CHEMBL945051)	Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst3 receptor
50038072	5	ChEMBL_461107 (CHEMBL945053)	Displacement of [125I](Leu8,D-Trp22,Tyr25)-SRIF28 from human sst5 receptor
50038072	6	ChEMBL_461108 (CHEMBL945054)	Binding affinity to sst5 receptor
50038073	1	ChEMBL_461139 (CHEMBL944162)	Displacement of [3H]DA from rat DAT
50038073	2	ChEMBL_461137 (CHEMBL944160)	Displacement of [3H]SCH-23390 from rat dopamine D1 receptor
50038073	3	ChEMBL_461138 (CHEMBL944161)	Displacement of [3H]raclopride from rat dopamine D2 receptor
50038073	4	ChEMBL_461140 (CHEMBL944163)	Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor
50038073	5	ChEMBL_461141 (CHEMBL944164)	Displacement of [3H]5-HT from rat SERT
50038073	6	ChEMBL_461134 (CHEMBL944157)	Inhibition of tyrosine hydroxylase
50038073	7	ChEMBL_461136 (CHEMBL944159)	Binding affinity at 5HT7 receptor
50038074	1	ChEMBL_461175 (CHEMBL945120)	Antagonist activity at mGlu1 receptor
50038074	2	ChEMBL_461176 (CHEMBL945121)	Agonist activity at mGlu2 receptor
50038074	3	ChEMBL_461177 (CHEMBL945122)	Antagonist activity at mGlu2 receptor
50038074	4	ChEMBL_461179 (CHEMBL945124)	Antagonist activity at human mGlu1 receptor
50038074	5	ChEMBL_461178 (CHEMBL945123)	Antagonist activity at human mGlu1b receptor
50038075	1	ChEMBL_461287 (CHEMBL927306)	Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding
50038075	2	ChEMBL_461289 (CHEMBL927309)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50038075	3	ChEMBL_461291 (CHEMBL927310)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells
50038075	4	ChEMBL_461290 (CHEMBL927307)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells
50038075	5	ChEMBL_461284 (CHEMBL927302)	Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane
50038075	6	ChEMBL_461282 (CHEMBL927300)	Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane
50038075	7	ChEMBL_461281 (CHEMBL927305)	Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane
50038075	8	ChEMBL_461292 (CHEMBL927311)	Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity
50038075	9	ChEMBL_461283 (CHEMBL927301)	Displacement of [3H]CGS21680 from adenosine A1 receptor in bovine striatum membrane
50038076	1	ChEMBL_461525 (CHEMBL927542)	Inhibition of butyrylcholinesterase
50038076	2	ChEMBL_461524 (CHEMBL927541)	Inhibition of acetylcholinesterase
50038077	1	ChEMBL_461588 (CHEMBL927611)	Inhibition of pig TACE
50038078	1	ChEMBL_461701 (CHEMBL927722)	Inhibition of human factor 10a
50038078	2	ChEMBL_461704 (CHEMBL927725)	Inhibition of human thrombin
50038078	3	ChEMBL_461717 (CHEMBL928848)	Inhibition of human tPA
50038078	4	ChEMBL_461713 (CHEMBL928844)	Inhibition of human factor 9a
50038078	5	ChEMBL_461716 (CHEMBL928847)	Inhibition of human plasmin
50038078	6	ChEMBL_461714 (CHEMBL928845)	Inhibition of human factor 11a
50038078	7	ChEMBL_461711 (CHEMBL928842)	Inhibition of human plasma kallikrein
50038079	1	ChEMBL_461905 (CHEMBL944752)	Binding affinity to Tsg101
50038080	1	ChEMBL_462121 (CHEMBL945895)	Inhibition of MAOB
50038080	3	ChEMBL_462117 (CHEMBL945890)	Inhibition of human AchE
50038080	4	ChEMBL_462124 (CHEMBL945898)	Inhibition of human BuchE
50038080	5	ChEMBL_462120 (CHEMBL945894)	Inhibition of MAOA
50038080	6	ChEMBL_462122 (CHEMBL945896)	Inhibition of SERT
50038080	7	ChEMBL_462129 (CHEMBL945903)	Inhibition of human AchE induced amyloid beta42 aggregation
50038080	8	ChEMBL_462138 (CHEMBL945911)	Inhibition of human AchE-induced amyloid beta aggregation
50038080	9	ChEMBL_462130 (CHEMBL945904)	Antagonist activity against adenosine A2 receptor
50038080	10	ChEMBL_462123 (CHEMBL945897)	Binding affinity to 5HT3 receptor
50038081	1	ChEMBL_462248 (CHEMBL945082)	Inhibition of cathepsin S
50038081	2	ChEMBL_462247 (CHEMBL945081)	Inhibition of cathepsin L
50038081	3	ChEMBL_462259 (CHEMBL945093)	Inhibition of cathepsin S in human ramos cells
50038081	4	ChEMBL_462258 (CHEMBL945092)	Inhibition of cathepsin L in human HepG2 cells
50038081	5	ChEMBL_462257 (CHEMBL945091)	Inhibition of cathepsin B in human HepG2 cells
50038081	6	ChEMBL_462245 (CHEMBL945079)	Inhibition of humanized rabbit cathepsin K
50038081	7	ChEMBL_462254 (CHEMBL945088)	Inhibition of human cathepsin K
50038081	8	ChEMBL_462255 (CHEMBL945089)	Inhibition of rabbit cathepsin K
50038081	9	ChEMBL_462246 (CHEMBL945080)	Inhibition of cathepsin B
50038081	10	ChEMBL_462249 (CHEMBL945083)	Inhibition of cathepsin F
50038081	11	ChEMBL_462252 (CHEMBL945086)	Inhibition of cathepsin H
50038081	12	ChEMBL_462250 (CHEMBL945084)	Inhibition of cathepsin V
50038081	13	ChEMBL_462251 (CHEMBL945085)	Inhibition of cathepsin C
50038081	14	ChEMBL_462253 (CHEMBL945087)	Inhibition of cathepsin Z
50038082	1	ChEMBL_462436 (CHEMBL927252)	Inhibition of influenza B/Memphis/3/89 neuraminidase
50038083	1	ChEMBL_462438 (CHEMBL927254)	Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay
50038083	2	ChEMBL_462444 (CHEMBL928309)	Blockade of human Nav1.8 channel expressed in HEK293 cells by FRET assay
50038083	3	ChEMBL_462442 (CHEMBL928307)	Inhibition of CYP3A4
50038084	1	ChEMBL_462639 (CHEMBL928568)	Inhibition of CYP2D6
50038084	2	ChEMBL_462632 (CHEMBL928561)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cell membranes
50038084	3	ChEMBL_462626 (CHEMBL929615)	Displacement of radiolabeled MIP-1alpha from cynomolgus monkey CCR5 expressed in CHO cells
50038084	4	ChEMBL_462625 (CHEMBL929614)	Displacement of [125I]RANTES from human CCR5 expressed in CHO cells
50038084	5	ChEMBL_462634 (CHEMBL928563)	Antagonist activity at cynomolgus monkey CCR5 expressed in CHO cells assessed as MIP-1-alpha-induced Ca2+ mobilization
50038084	6	ChEMBL_462636 (CHEMBL928565)	Inhibition of CYP1A2
50038084	7	ChEMBL_462640 (CHEMBL928569)	Inhibition of CYP3A4
50038084	8	ChEMBL_462638 (CHEMBL928567)	Inhibition of CYP2C19
50038084	9	ChEMBL_462637 (CHEMBL928566)	Inhibition of CYP2C9
50038084	10	ChEMBL_462635 (CHEMBL928564)	Antagonist activity at human CCR5 expressed in L1.2 cells assessed as MIP-1-alpha-induced Ca2+ mobilization
50038084	11	ChEMBL_462633 (CHEMBL928562)	Antagonist activity at human CCR5 expressed in CHO cells assessed as MIP-1-alpha-induced Ca2+ mobilization
50038085	1	ChEMBL_462692 (CHEMBL929665)	Binding affinity to NTR1 in mouse brain membrane
50038086	1	ChEMBL_462693 (CHEMBL929667)	Displacement of [125I]L-691831 from FLAP
50038086	2	ChEMBL_462695 (CHEMBL929666)	Inhibition of 5LOX
50038087	1	ChEMBL_462712 (CHEMBL929685)	Inhibition of thrombin
50038088	1	ChEMBL_462860 (CHEMBL928778)	Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay
50038089	3	ChEMBL_462977 (CHEMBL928894)	Inhibition of CYP2D6
50038089	4	ChEMBL_462972 (CHEMBL928890)	Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay
50038089	5	ChEMBL_462975 (CHEMBL928892)	Inhibition of CYP3A4
50038089	6	ChEMBL_462973 (CHEMBL928891)	Inhibition of CYP2C9
50038089	7	ChEMBL_462974 (CHEMBL928887)	Inhibition of CYP1A2
50038089	8	ChEMBL_462976 (CHEMBL928893)	Inhibition of CYP2C19
50038090	1	ChEMBL_463169 (CHEMBL946185)	Inhibition of Streptococcus pneumoniae MurF
50038090	2	ChEMBL_463171 (CHEMBL946187)	Inhibition of Pseudomonas aeruginosa MurF ATPase activity by spectrophotometric assay
50038091	1	ChEMBL_463176 (CHEMBL948190)	Inhibition of human SERT
50038091	2	ChEMBL_463175 (CHEMBL948189)	Inhibition of human histamine H3 receptor
50038091	3	ChEMBL_463177 (CHEMBL948191)	Inhibition of rat SERT
50038091	4	ChEMBL_463179 (CHEMBL948193)	Binding affinity to human NET
50038091	5	ChEMBL_463180 (CHEMBL948194)	Binding affinity to human DAT
50038092	1	ChEMBL_463207 (CHEMBL947204)	Inhibition of human recombinant NAALADase
50038092	2	ChEMBL_463208 (CHEMBL947205)	Inhibition of NAALADase expressed in LNCaP human prostate cancer cells
50038093	1	ChEMBL_463212 (CHEMBL947209)	Binding affinity to monkey bradykinin B1 receptor expressed in CHO cells
50038093	2	ChEMBL_463213 (CHEMBL947210)	Binding affinity to rabbit bradykinin B1 receptor expressed in CHO cells
50038093	3	ChEMBL_463214 (CHEMBL947211)	Binding affinity to dog bradykinin B1 receptor expressed in CHO cells
50038093	4	ChEMBL_463211 (CHEMBL947208)	Binding affinity to rat bradykinin B1 receptor expressed in CHO cells
50038093	5	ChEMBL_463210 (CHEMBL947207)	Binding affinity to human bradykinin B1 receptor by FLIPR assay
50038093	6	ChEMBL_463209 (CHEMBL947206)	Binding affinity to human bradykinin B1 receptor expressed in CHO cells
50038093	7	ChEMBL_463230 (CHEMBL930619)	Inhibition of CYP3A4
50038093	8	ChEMBL_463232 (CHEMBL930621)	Inhibition of CYP2D6
50038093	9	ChEMBL_463231 (CHEMBL930620)	Inhibition of CYP2C9
50038094	1	ChEMBL_463233 (CHEMBL930623)	Inhibition of pig TACE
50038094	2	ChEMBL_463237 (CHEMBL930626)	Binding affinity to MMP9
50038094	3	ChEMBL_463235 (CHEMBL930624)	Binding affinity to MMP1
50038094	4	ChEMBL_463236 (CHEMBL930625)	Binding affinity to MMP2
50038094	5	ChEMBL_463243 (CHEMBL930632)	Binding affinity to MMP13
50038094	6	ChEMBL_463238 (CHEMBL930627)	Binding affinity to MMP3
50038094	7	ChEMBL_463239 (CHEMBL930628)	Binding affinity to MMP7
50038094	8	ChEMBL_463240 (CHEMBL930629)	Binding affinity to MMP8
50038094	9	ChEMBL_463241 (CHEMBL930630)	Binding affinity to MMP10
50038094	10	ChEMBL_463242 (CHEMBL930631)	Binding affinity to MMP12
50038094	11	ChEMBL_463244 (CHEMBL930633)	Binding affinity to MMP14
50038094	12	ChEMBL_463245 (CHEMBL930634)	Binding affinity to MMP15
50038095	1	ChEMBL_463270 (CHEMBL930659)	Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay
50038095	2	ChEMBL_463276 (CHEMBL930777)	Inhibition of ebrB2
50038095	3	ChEMBL_463277 (CHEMBL930778)	Inhibition of EGFR
50038095	4	ChEMBL_463271 (CHEMBL930660)	Inhibition of human ERG
50038096	1	ChEMBL_463302 (CHEMBL948111)	Inhibition of Gardos channel in human RBC assessed as inhibition of ionomycin-stimulated [86Rb] efflux
50038097	1	ChEMBL_463331 (CHEMBL947132)	Inhibition of rat recombinant GST-DYRK1A expressed in Escherichia coli
50038097	2	ChEMBL_463326 (CHEMBL947131)	Inhibition of human recombinant CDK2/cyclin A expressed in insect cells
50038097	3	ChEMBL_463328 (CHEMBL947134)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cells
50038098	1	ChEMBL_463344 (CHEMBL929487)	Antagonist activity at human CCR2 in PBMCs assessed as inhibition of MCP1-induced calcium flux
50038098	2	ChEMBL_463346 (CHEMBL929489)	Antagonist activity at human CCR2 in PBMCs assessed as inhibition of chemotaxis
50038098	3	ChEMBL_463342 (CHEMBL929486)	Displacement of radiolabeled MCP1 from human CCR2 in PBMCs
50038098	4	ChEMBL_463347 (CHEMBL929490)	Binding affinity to wild type CCR2
50038099	1	ChEMBL_463485 (CHEMBL932780)	Inhibition of Agrobacterium sp. beta-glucosidase
50038100	1	ChEMBL_463649 (CHEMBL930817)	Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells
50038100	2	ChEMBL_463651 (CHEMBL930819)	Displacement of [3H]LSD from human recombinant 5HT1D receptor expressed in HEK293-EBNA cells
50038100	3	ChEMBL_463653 (CHEMBL930821)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in HEK293-EBNA cells
50038100	4	ChEMBL_463656 (CHEMBL930824)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells
50038100	5	ChEMBL_463650 (CHEMBL930818)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293-EBNA cells
50038100	6	ChEMBL_463652 (CHEMBL930820)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in HEK293-EBNA cells
50038100	7	ChEMBL_463654 (CHEMBL930822)	Binding affinity to human 5HT3 receptor
50038100	8	ChEMBL_463655 (CHEMBL930823)	Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293-EBNA cells
50038100	9	ChEMBL_463664 (CHEMBL930832)	Binding affinity to histamine H1 receptor
50038100	10	ChEMBL_463668 (CHEMBL930836)	Inhibition of 5HT2B receptor
50038101	1	ChEMBL_463671 (CHEMBL929818)	Inhibition of human recombinant AChE by Ellman method
50000878	4	ChEMBL_1697035 (CHEMBL4047925)	Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal kinetic plot analysis
50000878	3	ChEBML_1697025	Inhibition of pig liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis
50038102	1	ChEMBL_463679 (CHEMBL931792)	Inhibition of human CYP17 expressed in Escherichia coli co-expressed with NADPH-P450 reductase
50038102	2	ChEMBL_463680 (CHEMBL931793)	Inhibition of Sprague-Dawley rat testicular CYP17
50038103	1	ChEMBL_463732 (CHEMBL932090)	Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC
50038103	2	ChEMBL_463733 (CHEMBL932091)	Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC in presence of plasma
50038104	1	ChEMBL_463744 (CHEMBL932102)	Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane
50038105	1	ChEMBL_463759 (CHEMBL932016)	Inhibition of AChE by Ellman's assay
50038105	2	ChEMBL_463760 (CHEMBL932017)	Inhibition of BuChE by Ellman's assay
50038106	1	ChEMBL_463775 (CHEMBL931126)	Inhibition of Plasmodium falciparum recombinant falcipain-2
50038106	2	ChEMBL_463778 (CHEMBL931129)	Inhibition of human cathepsin L
50038106	3	ChEMBL_463777 (CHEMBL931128)	Inhibition of human cathepsin B
50038107	1	ChEMBL_463781 (CHEMBL932170)	Agonist at human recombinant P2Y1 receptor expressed in human 1321 cells by calcium mobilization assay
50038107	2	ChEMBL_463782 (CHEMBL932171)	Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay
50038107	3	ChEMBL_463779 (CHEMBL931130)	Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay
50038107	4	ChEMBL_463783 (CHEMBL932172)	Agonist activity at P2Y6 receptor expressed in human 1321 cells by calcium mobilization assay
50038108	1	ChEMBL_463794 (CHEMBL932183)	Inhibition of human Bcl-2 protein by ELISA
50038108	2	ChEMBL_463795 (CHEMBL932184)	Inhibition of human Mcl-1 protein by fluorescence polarization assay
50038108	3	ChEMBL_463796 (CHEMBL947936)	Binding affinity to human Bcl-xL protein by fluorescence polarization assay
50038109	1	ChEMBL_463817 (CHEMBL948896)	Inhibition of [3H]5HT uptake at human 5HT transporter expressed in HEK293 cells
50038109	2	ChEMBL_463818 (CHEMBL948897)	Inhibition of [3H]NA uptake at human NA transporter expressed in HEK293 cells
50038109	3	ChEMBL_463819 (CHEMBL948898)	Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in HEK293 cells
50038109	4	ChEMBL_463821 (CHEMBL948900)	Binding affinity to human ERG
50038110	1	ChEMBL_463823 (CHEMBL948902)	Binding affinity to human bradykinin B1 receptor expressed in rat CNS
50038111	1	ChEMBL_463844 (CHEMBL934038)	Binding affinity at 5HT2A receptor
50038111	2	ChEMBL_463845 (CHEMBL934039)	Binding affinity at 5HT2B receptor
50038111	3	ChEMBL_463846 (CHEMBL934040)	Binding affinity at 5HT2C receptor
50038111	4	ChEMBL_463838 (CHEMBL934032)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells
50038111	5	ChEMBL_463839 (CHEMBL934033)	Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells
50038111	6	ChEMBL_463840 (CHEMBL934034)	Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells
50038112	1	ChEMBL_463847 (CHEMBL934041)	Agonist activity at human GHS receptor expressed in H4 glioma cells
50038112	2	ChEMBL_463848 (CHEMBL934042)	Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay
50038112	3	ChEMBL_463852 (CHEMBL934046)	Inhibition of CYP1A2
50038112	4	ChEMBL_463853 (CHEMBL934047)	Inhibition of CYP2C9
50038112	5	ChEMBL_463855 (CHEMBL934049)	Inhibition of CYP2D6
50038112	6	ChEMBL_463856 (CHEMBL935016)	Inhibition of CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as a substrate
50038112	7	ChEMBL_463854 (CHEMBL934048)	Inhibition of CYP2C19
50038112	8	ChEMBL_463857 (CHEMBL935017)	Inhibition of CYP3A4 using 7-benzyloxyresorufin as a substrate
50038113	2	ChEMBL_463886 (CHEMBL934182)	Inhibition of human ACAT2 expressed in insect Hi5 cells
50038114	1	ChEMBL_463988 (CHEMBL929975)	Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization
50038114	2	ChEMBL_463989 (CHEMBL929976)	Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization
50038114	3	ChEMBL_463990 (CHEMBL929977)	Inhibition of rat NTPDase 1
50038114	4	ChEMBL_463991 (CHEMBL929978)	Inhibition of rat ecto-5'-nucleotidase
50038114	5	ChEMBL_463992 (CHEMBL929979)	Antagonist activity at human P2Y4 receptor
50038114	6	ChEMBL_463993 (CHEMBL929980)	Antagonist activity at rat P2Y6 receptor
50038115	1	ChEMBL_463999 (CHEMBL929986)	Inhibition of HTLV1 protease L40I mutant expressed in Escherichia coli BL21(DE3)pLysS
50038116	1	ChEMBL_464004 (CHEMBL931190)	Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assay
50038117	1	ChEMBL_464017 (CHEMBL932254)	Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production
50038117	2	ChEMBL_464018 (CHEMBL932255)	Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production
50038118	1	ChEMBL_464067 (CHEMBL949060)	Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay
50038119	1	ChEMBL_464074 (CHEMBL949067)	Inhibition of human 11beta-HSD1
50038119	2	ChEMBL_464075 (CHEMBL949068)	Inhibition of mouse 11beta-HSD1
50038120	1	ChEMBL_464084 (CHEMBL949077)	Displacement of [125I]VCAMIg from VLA4 expressed in Jurkat cells
50038121	1	ChEMBL_464099 (CHEMBL948140)	Inhibition of SERT mediated 5-hydroxytryptamine uptake
50038121	2	ChEMBL_464098 (CHEMBL948139)	Binding affinity to mu opioid receptor
50038121	3	ChEMBL_464100 (CHEMBL948141)	Inhibition of NET mediated norepinephrine uptake
50038122	1	ChEMBL_464109 (CHEMBL949228)	Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells
50038122	2	ChEMBL_464110 (CHEMBL949229)	Antagonist activity at human CXCR3 expressed in CHO cells by FLIPR-based calcium mobilization assay
50038123	1	ChEMBL_464118 (CHEMBL948281)	Binding affinity to MCHR1
50038123	2	ChEMBL_464119 (CHEMBL948282)	Antagonist activity at MCHR1 by cAMP assay
50038123	3	ChEMBL_464142 (CHEMBL948304)	Agonist activity at mu opioid receptor
50038124	1	ChEMBL_464240 (CHEMBL935252)	Inhibition of human CYP2C19
50038124	2	ChEMBL_464243 (CHEMBL935240)	Inhibition of human CYP3A4 using 7-benzyloxyresorufin
50038124	3	ChEMBL_464241 (CHEMBL935253)	Inhibition of human CYP2D6
50038124	4	ChEMBL_464238 (CHEMBL935250)	Inhibition of human CYP1A2
50038124	5	ChEMBL_464239 (CHEMBL935251)	Inhibition of human CYP2C9
50038124	6	ChEMBL_464242 (CHEMBL935239)	Inhibition of human CYP3A4 using 7-benzyl-trifluoromethyl coumarin
50038125	1	ChEMBL_464251 (CHEMBL935260)	Inhibition of PAK1
50038126	1	ChEMBL_464337 (CHEMBL951191)	Inhibition of human FAAH
50038127	1	ChEMBL_464344 (CHEMBL951199)	Inhibition of FLT3
50038127	2	ChEMBL_464345 (CHEMBL951200)	Inhibition of KIT
50038127	3	ChEMBL_464346 (CHEMBL951201)	Inhibition of PDGFRbeta
50038127	4	ChEMBL_464342 (CHEMBL951197)	Inhibition of human cytoplasmic macrophage colony-stimulating factor 1 receptor by fluorescence polarization
50038128	1	ChEMBL_464360 (CHEMBL950294)	Inhibition in Kv1.3 expressed in human L929 by patch clamp method
50038128	2	ChEMBL_464359 (CHEMBL950293)	Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method
50038129	1	ChEMBL_464361 (CHEMBL950295)	Inhibition of cathepsin B
50038129	2	ChEMBL_464363 (CHEMBL950297)	Inhibition of cathepsin B in mouse B16F10 cells
50038130	1	ChEMBL_464364 (CHEMBL929988)	Inhibition of human GSK3-beta
50038131	1	ChEMBL_464390 (CHEMBL930039)	Inhibition of human recombinant FAAH after 15 mins
50038131	2	ChEMBL_464382 (CHEMBL930031)	Inhibition of human recombinant carboxylesterase 1 after 15 mins
50038131	3	ChEMBL_464383 (CHEMBL930032)	Inhibition of human recombinant carboxylesterase 2 after 5 mins
50038131	4	ChEMBL_464381 (CHEMBL931030)	Inhibition of human recombinant carboxylesterase 1 after 5 mins
50038131	5	ChEMBL_464387 (CHEMBL930036)	Inhibition of Manduca sexta juvenile hormone esterase
50038131	6	ChEMBL_464379 (CHEMBL931028)	Inhibition of pig liver carboxylesterase after 5 mins
50038131	7	ChEMBL_464380 (CHEMBL931029)	Inhibition of pig liver carboxylesterase after 15 mins
50038131	8	ChEMBL_464389 (CHEMBL930038)	Inhibition of human recombinant FAAH after 5 mins
50038131	9	ChEMBL_464384 (CHEMBL930033)	Inhibition of human recombinant carboxylesterase 2 after 15 mins
50038131	10	ChEMBL_464391 (CHEMBL930040)	Inhibition of human recombinant carboxylesterase 1 after 5 mins
50038131	11	ChEMBL_464392 (CHEMBL930041)	Inhibition of human recombinant carboxylesterase 1 after 15 mins
50038131	12	ChEMBL_464394 (CHEMBL930043)	Inhibition of human recombinant carboxylesterase 2 after 15 mins
50038131	13	ChEMBL_464395 (CHEMBL930044)	Inhibition of pig liver carboxylesterase after 5 mins
50038131	14	ChEMBL_464396 (CHEMBL930045)	Inhibition of pig liver carboxylesterase after 15 mins
50038131	15	ChEMBL_464399 (CHEMBL930048)	Inhibition of human recombinant FAAH after 5 mins
50038131	16	ChEMBL_464393 (CHEMBL930042)	Inhibition of human recombinant carboxylesterase 2 after 5 mins
50038131	17	ChEMBL_464400 (CHEMBL930049)	Inhibition of human recombinant FAAH after 15 mins
50038132	1	ChEMBL_464404 (CHEMBL930054)	Binding affinity to human 5HT5A receptor
50038132	2	ChEMBL_464409 (CHEMBL930053)	Binding affinity to 5HT1A receptor
50038132	3	ChEMBL_464410 (CHEMBL931075)	Binding affinity to 5HT1D receptor
50038132	4	ChEMBL_464411 (CHEMBL931076)	Binding affinity to 5HT2C receptor
50038132	5	ChEMBL_464406 (CHEMBL930056)	Binding affinity to human 5HT7 receptor
50038132	6	ChEMBL_464431 (CHEMBL930104)	Binding affinity to human 5HT2A receptor
50038132	7	ChEMBL_464434 (CHEMBL930107)	Binding affinity to human 5HT6 receptor
50038132	8	ChEMBL_464412 (CHEMBL931079)	Binding affinity to histamine H1 receptor
50038132	9	ChEMBL_464428 (CHEMBL930101)	Binding affinity to rat 5HT5A receptor
50038132	10	ChEMBL_464429 (CHEMBL930102)	Binding affinity to human 5HT1A receptor
50038132	11	ChEMBL_464430 (CHEMBL930103)	Binding affinity to human 5HT1D receptor
50038132	12	ChEMBL_464432 (CHEMBL930105)	Binding affinity to human 5HT2C receptor
50038132	13	ChEMBL_464433 (CHEMBL930106)	Binding affinity to human 5HT3 receptor
50038133	1	ChEMBL_464453 (CHEMBL948053)	Binding affinity to CXCR3 receptor expressed in CHO cells assessed as ITAC-induced [35]GTPgammaS binding
50038134	1	ChEMBL_464494 (CHEMBL931996)	Inhibition of Aurora A kinase
50038134	3	ChEMBL_464496 (CHEMBL931998)	Inhibition of Aurora C kinase
50038135	1	ChEMBL_464500 (CHEMBL931999)	Agonist activity at adenosine A2A receptor
50038136	1	ChEMBL_464608 (CHEMBL933410)	Inhibition of human neutrophil elastase 2
50038136	2	ChEMBL_464554 (CHEMBL933240)	Inhibition of human recombinant CYP3A4
50038136	3	ChEMBL_464567 (CHEMBL933253)	Inhibition of human chymase
50038136	4	ChEMBL_464561 (CHEMBL933247)	Inhibition of human cathepsin G
50038137	1	ChEMBL_464663 (CHEMBL933922)	Inhibition of human leukocyte elastase
50038138	1	ChEMBL_464664 (CHEMBL933925)	Inhibition of thrombin
50038139	1	ChEMBL_464678 (CHEMBL934070)	Binding affinity to human EP4 receptor expressed in HEK293 cells
50038139	2	ChEMBL_464679 (CHEMBL934071)	Binding affinity to human EP4 receptor expressed in HEK293 cells in presence of 10% human serum
50038139	3	ChEMBL_464712 (CHEMBL932907)	Binding affinity to human EP1 receptor expressed in HEK293 cells
50038139	4	ChEMBL_464714 (CHEMBL932905)	Binding affinity to human EP3 receptor expressed in HEK293 cells
50038139	5	ChEMBL_464715 (CHEMBL932902)	Binding affinity to human DP receptor expressed in HEK293 cells
50038139	6	ChEMBL_464716 (CHEMBL933059)	Binding affinity to human TP receptor expressed in HEK293 cells
50038139	7	ChEMBL_464718 (CHEMBL933061)	Binding affinity to human IP receptor expressed in HEK293 cells
50038139	8	ChEMBL_464713 (CHEMBL932906)	Binding affinity to human EP2 receptor expressed in HEK293 cells
50038139	9	ChEMBL_464717 (CHEMBL933060)	Binding affinity to human FP receptor expressed in HEK293 cells
50038140	1	ChEMBL_464721 (CHEMBL933064)	Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay
50038140	2	ChEMBL_464720 (CHEMBL933063)	Displacement of [3H]DHT from human androgen receptor in MDA453 cells
50038141	1	ChEMBL_464734 (CHEMBL933080)	Agonist activity at PPARalpha in HEK293 cells by GAL4 transactivation assay
50038141	2	ChEMBL_464735 (CHEMBL933081)	Agonist activity at PPARgamma in HEK293 cells by GAL4 transactivation assay
50038141	3	ChEMBL_464739 (CHEMBL933075)	Inhibition of CYP2C9
50038141	4	ChEMBL_464738 (CHEMBL933077)	Inhibition of CYP3A4 in presence of 7-benzyloxy-4-trifluoromethyl coumarin substrate
50038141	5	ChEMBL_464748 (CHEMBL933194)	Inhibition of CYP3A4 in presence of 7-benzyloxyresorufin substrate
50038141	6	ChEMBL_464747 (CHEMBL933193)	Inhibition of human ERG by FLIPR assay
50038141	7	ChEMBL_464740 (CHEMBL933084)	Inhibition of CYP2C19
50038141	8	ChEMBL_464732 (CHEMBL933078)	Inhibition of PPARalpha
50038141	9	ChEMBL_464733 (CHEMBL933079)	Inhibition of PPARgamma
50038142	1	ChEMBL_464749 (CHEMBL930115)	Inhibition of Staphylococcus aures sortase A by FRET assay
50038143	1	ChEMBL_464752 (CHEMBL930118)	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells
50038143	2	ChEMBL_464760 (CHEMBL930126)	Inhibition of FLT3 by HTRF assay
50038143	3	ChEMBL_464761 (CHEMBL930127)	Inhibition of cKit by HTRF assay
50038143	4	ChEMBL_464763 (CHEMBL930129)	Inhibition of FYN by HTRF assay
50038143	5	ChEMBL_464764 (CHEMBL930130)	Inhibition of SRC by HTRF assay
50038143	6	ChEMBL_464759 (CHEMBL930125)	Inhibition of FLT1 by HTRF assay
50038143	7	ChEMBL_464762 (CHEMBL930128)	Inhibition of CSF1R by HTRF assay
50038143	8	ChEMBL_464751 (CHEMBL930117)	Inhibition of KDR by HTRF assay
50038144	1	ChEMBL_464766 (CHEMBL930132)	Inhibition of Bak peptide binding to human recombinant Bcl2
50038144	2	ChEMBL_464767 (CHEMBL930133)	Inhibition of Bak peptide binding to human recombinant Bcl-Xl
50038144	3	ChEMBL_464768 (CHEMBL930134)	Inhibition of Bak peptide binding to human recombinant Bcl-w
50038145	1	ChEMBL_464803 (CHEMBL946842)	Binding affinity to human cathepsin E
50038145	3	ChEMBL_464800 (CHEMBL946839)	Inhibition of BACE2
50000878	5	ChEBML_1697033	Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double reciprocal kinetic plot analysis
50000878	7	ChEMBL_1697033 (CHEMBL4047923)	Competitive inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by Lineweaver-Burk double reciprocal kinetic plot analysis
50038145	5	ChEMBL_464802 (CHEMBL946841)	Binding affinity to human cathepsin D
50038146	1	ChEMBL_464805 (CHEMBL946844)	Inhibition of human PSMA
50038147	1	ChEMBL_464818 (CHEMBL946889)	Inhibition of human iNOS expressed in human DLD1 cells after 1 hr
50038147	2	ChEMBL_464819 (CHEMBL946888)	Inhibition of human eNOS expressed in insect SF9 cells after 1 hr
50038147	3	ChEMBL_464823 (CHEMBL946893)	Inhibition of cytokine-induced iNOS activity in human DLD1 cells after 24 hrs
50038147	4	ChEMBL_464820 (CHEMBL946890)	Inhibition of human nNOS expressed in insect SF9 cells after 1 hr
50038148	1	ChEMBL_464829 (CHEMBL949296)	Displacement of fibrinogen from integrin alpha2bbeta3 receptor
50038149	1	ChEMBL_464834 (CHEMBL930552)	Inhibition of cathepsin D
50000880	6	ChEMBL_1697113 (CHEMBL4048003)	Inhibition of human ERG expressed in HEK293 cells assessed as decrease in peak tail current amplitude by path clamp method
50000879	1	ChEBML_1697050	Inhibition of rat VAP-1 expressed in CHO cells preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation spectrometric analysis
50000879	2	ChEBML_1697040	Inhibition of human VAP-1 expressed in CHO cells preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation spectrometric analysis
50000880	2	ChEBML_1697114	Inhibition of CYP2C9 (unknown origin)
50000880	3	ChEBML_1697115	Inhibition of CYP2C19 (unknown origin)
50038150	1	ChEMBL_464838 (CHEMBL930555)	Displacement of [3H]nociceptin from human ORL1-Galpha fusion receptor in COS7 cells
50038150	2	ChEMBL_464839 (CHEMBL930556)	Activity at human ORL1-Galpha fusion receptor in COS7 cells assessed as stimulation of [35S]GTP-gamma-S binding
50038151	1	ChEMBL_464846 (CHEMBL930563)	Displacement of [3H]R-N6-phenylisopropyladenosine from adenosine A1 receptor in rat cerebral cortical membrane
50038152	1	ChEMBL_464862 (CHEMBL930579)	Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells
50038152	2	ChEMBL_464863 (CHEMBL930580)	Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes
50038152	3	ChEMBL_464868 (CHEMBL931758)	Antagonist activity at histamine H4 receptor by [35S]GTP-gamma-S binding assay
50038152	4	ChEMBL_464866 (CHEMBL931756)	Antagonist activity at histamine H1 receptor by [35S]GTP-gamma-S binding assay
50038152	5	ChEMBL_464867 (CHEMBL931757)	Antagonist activity at histamine H2 receptor by [35S]GTP-gamma-S binding assay
50038153	1	ChEMBL_464897 (CHEMBL949096)	Inhibition of FAAH
50038153	2	ChEMBL_464889 (CHEMBL949088)	Inhibition of rat recombinant FAAH expressed in Escherichia coli
50038153	3	ChEMBL_464892 (CHEMBL949091)	Inhibition of KIAA1363
50038153	4	ChEMBL_464891 (CHEMBL949090)	Inhibition of TGH
50038153	5	ChEMBL_464890 (CHEMBL949089)	Inhibition of human recombinant FAAH expressed COS7 cells
50038154	1	ChEMBL_464922 (CHEMBL946979)	Inhibition of human HDAC1
50038154	2	ChEMBL_464936 (CHEMBL946993)	Inhibition of human HDAC8
50038154	4	ChEMBL_464918 (CHEMBL946975)	Inhibition of HDAC1
50038154	5	ChEMBL_464961 (CHEMBL948014)	Inhibition of HDAC5
50038154	6	ChEMBL_464906 (CHEMBL949109)	Inhibition of mouse liver HDAC1
50038154	7	ChEMBL_464968 (CHEMBL947140)	Inhibition of HDAC1 from human HeLa cells
50038154	8	ChEMBL_464923 (CHEMBL946980)	Inhibition of CYP3A4
50038154	9	ChEMBL_464919 (CHEMBL946976)	Inhibition of HDAC8
50038154	10	ChEMBL_464924 (CHEMBL946981)	Inhibition of HDAC2
50038154	11	ChEMBL_464957 (CHEMBL946967)	Inhibition of HDAC3
50038154	12	ChEMBL_464925 (CHEMBL946982)	Inhibition of HDAC6
50038154	13	ChEMBL_464967 (CHEMBL947139)	Inhibition of HDAC9
50038154	14	ChEMBL_464960 (CHEMBL948013)	Inhibition of HDAC4
50038154	15	ChEMBL_464962 (CHEMBL948015)	Inhibition of HDAC7
50038155	1	ChEMBL_464983 (CHEMBL947155)	Inhibition of PI3K p110alpha
50038155	2	ChEMBL_464984 (CHEMBL947156)	Inhibition of PI3K p110beta
50038155	3	ChEMBL_464985 (CHEMBL947157)	Inhibition of PI3K p110delta
50038155	4	ChEMBL_464986 (CHEMBL947158)	Inhibition of PI3K p110gamma
50038155	5	ChEMBL_464978 (CHEMBL947150)	Inhibition of PDK1
50038155	6	ChEMBL_464979 (CHEMBL947151)	Inhibition of phosphorylation of T308-PKB in human U87MG cells by ELISA
50038156	1	ChEMBL_465010 (CHEMBL929512)	Displacement of [125I]L-703606 from human NK1 expressed in CHO cells
50038157	1	ChEMBL_465039 (CHEMBL933212)	Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in HEK293 cells
50038157	2	ChEMBL_465059 (CHEMBL933368)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in HEK293 cells
50038157	3	ChEMBL_465060 (CHEMBL933369)	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in HEK293 cells
50038158	1	ChEMBL_465169 (CHEMBL946815)	Induction of human IkappaBalpha stabilization in OCI-Ly3 cells by green light emiting IkappaBalpha-fused luciferase reporter gene assay
50038158	2	ChEMBL_465171 (CHEMBL945841)	Induction of human IkappaBalpha stabilization in OCI-Ly3 cells assessed as ratio of green light emiting IkappaBalpha-fused luciferase expression to red light emiting native luciferase expression
50038158	3	ChEMBL_465172 (CHEMBL945842)	Inhibition of TNF-alpha-stimulated human NF-kappaB p65 RelA subunit nuclear translocation in HUVEC
50038159	1	ChEMBL_465211 (CHEMBL931923)	Inhibition of human thrombin
50038159	2	ChEMBL_465214 (CHEMBL931926)	Inhibition of human plasmin
50038159	3	ChEMBL_465215 (CHEMBL931927)	Inhibition of human tPA
50038159	4	ChEMBL_465205 (CHEMBL931789)	Inhibition of human factor 10a
50038160	1	ChEMBL_465235 (CHEMBL933029)	Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells
50000880	4	ChEBML_1697116	Inhibition of CYP2D6 (unknown origin)
50000886	5	ChEMBL_1697323 (CHEMBL4048213)	Inhibition of mouse SPPL2a in A20 cells assessed as CD74/p8 accumulation by flow cytometry
50000880	5	ChEBML_1697117	Inhibition of CYP3A4 (unknown origin)
50038160	5	ChEMBL_465237 (CHEMBL933031)	Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells
50000886	8	ChEMBL_1697373 (CHEMBL4048263)	Inhibition of human SPPL2a expressed in HEK293 cells using GAL4-VP16 fusedTNFalpha (1 to 76)-NTF as substrate after 24 hrs by Bright-Glo luciferase reporter gene assay
50000882	1	ChEBML_1697196	Inhibition of human serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	2	ChEBML_1697189	Inhibition of rat serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	3	ChEBML_1697185	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	4	ChEBML_1697186	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50038162	1	ChEMBL_465258 (CHEMBL930529)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells
50038162	2	ChEMBL_465260 (CHEMBL930528)	Inhibition of CYP3A4
50038162	3	ChEMBL_465265 (CHEMBL930535)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells by cAMP assay
50038162	4	ChEMBL_465262 (CHEMBL930532)	Inhibition of human ERG expressed in HEK cells assessed as effect on electric current by patch clamp assay
50038162	5	ChEMBL_465261 (CHEMBL930531)	Inhibition of CYP2D6
50038163	1	ChEMBL_465271 (CHEMBL951241)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium mobilization
50038163	2	ChEMBL_465270 (CHEMBL951240)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium mobilization
50038164	1	ChEMBL_465289 (CHEMBL933854)	Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor by solid phase assay
50038164	2	ChEMBL_465296 (CHEMBL933861)	Displacement of [125I]echistatin from human integrin alphaVbeta5 receptor high affinity state by solid phase assay
50038164	3	ChEMBL_465299 (CHEMBL933852)	Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor low affinity state by solid phase assay
50038164	4	ChEMBL_465291 (CHEMBL933856)	Inhibition of human integrin alpha5beta1 receptor mediated K562 cell adhesion to vitronectin
50038164	5	ChEMBL_465293 (CHEMBL933858)	Inhibition of human integrin alpha-5-beta-1 receptor mediated WM115 cell adhesion to vitronectin
50038165	1	ChEMBL_465386 (CHEMBL945934)	Inhibition of TX synthase
50038165	2	ChEMBL_465390 (CHEMBL945938)	Inhibition of human JAK3
50038165	3	ChEMBL_465385 (CHEMBL945933)	Inhibition of human mPGES2
50038165	4	ChEMBL_465389 (CHEMBL945937)	Inhibition of human JAK2
50038166	1	ChEMBL_465425 (CHEMBL946009)	Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane
50038166	2	ChEMBL_465426 (CHEMBL946010)	Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin
50038166	3	ChEMBL_465424 (CHEMBL946008)	Binding affinity to dopamine D2 receptor
50038166	4	ChEMBL_465423 (CHEMBL946007)	Binding affinity to 5HT1A receptor
50038166	5	ChEMBL_465416 (CHEMBL946000)	Displacement of [3H](+)-PTZ from sigma1 receptor in Hartley guinea pig brain
50038167	1	ChEMBL_465428 (CHEMBL946012)	Binding affinity to human oxytocin receptor
50038167	2	ChEMBL_465438 (CHEMBL946022)	Binding affinity to recombinant oxytocin receptor
50038167	3	ChEMBL_465439 (CHEMBL946023)	Binding affinity to human vasopressin V1a receptor
50038167	4	ChEMBL_465440 (CHEMBL946024)	Binding affinity to human vasopressin V1b receptor
50038167	5	ChEMBL_465441 (CHEMBL946025)	Binding affinity to human vasopressin V2 receptor
50000882	5	ChEBML_1697188	Inhibition of rat cortex homogenate AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50038167	6	ChEMBL_465432 (CHEMBL946016)	Inhibition of CYP3A4
50038168	1	ChEMBL_465464 (CHEMBL933168)	Agonist activity at rat alpha-7 nAChR expressed in GH4C1-F7 cells assessed as effect on calcium influx by FLIPR
50038169	1	ChEMBL_465478 (CHEMBL933182)	Inhibition of topoisomerase 1-mediated DNA relaxation
50038169	2	ChEMBL_465479 (CHEMBL933183)	Inhibition of topoisomerase 2 mediated DNA relaxation
50038170	1	ChEMBL_465537 (CHEMBL930770)	Inhibition of human MMP13 catalytic domain
50038170	2	ChEMBL_465538 (CHEMBL930771)	Inhibition of human MMP13
50038170	3	ChEMBL_465545 (CHEMBL931878)	Inhibition of MMP1
50038170	4	ChEMBL_465546 (CHEMBL931879)	Inhibition of MMP2
50038170	5	ChEMBL_465547 (CHEMBL931880)	Inhibition of MMP3 catalytic domain
50038170	6	ChEMBL_465548 (CHEMBL931881)	Inhibition of MMP7
50038170	7	ChEMBL_465550 (CHEMBL931883)	Inhibition of MMP9
50038170	8	ChEMBL_465551 (CHEMBL931884)	Inhibition of MMP12
50038170	9	ChEMBL_465552 (CHEMBL931885)	Inhibition of MMP14 catalytic domain
50038171	1	ChEMBL_465602 (CHEMBL931043)	Inhibition of sucrase
50038171	2	ChEMBL_465603 (CHEMBL931044)	Inhibition of maltase
50038172	1	ChEMBL_465605 (CHEMBL951055)	Inhibition of human cloned CA1 by CO2 hydration method
50038172	2	ChEMBL_465606 (CHEMBL951056)	Inhibition of human cloned CA2 by CO2 hydration method
50038172	3	ChEMBL_465607 (CHEMBL951057)	Inhibition of human CA9 catalytic domain by CO2 hydration method
50038172	4	ChEMBL_465604 (CHEMBL951054)	Inhibition of human CA9
50038173	1	ChEMBL_465621 (CHEMBL951065)	Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA
50038173	2	ChEMBL_465622 (CHEMBL951072)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA
50038173	4	ChEMBL_465662 (CHEMBL952046)	Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50038174	1	ChEMBL_465724 (CHEMBL932290)	Binding affinity at PPARgamma
50038175	1	ChEMBL_465748 (CHEMBL948992)	Inhibition of Tie2
50038175	2	ChEMBL_465745 (CHEMBL948989)	Inhibition of KDR
50038175	3	ChEMBL_465747 (CHEMBL948991)	Inhibition of Jak3
50038175	4	ChEMBL_465744 (CHEMBL948988)	Inhibition of Lck by HTRF assay
50038175	5	ChEMBL_465746 (CHEMBL948990)	Inhibition of p38alpha
50038176	1	ChEMBL_465776 (CHEMBL931045)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50038176	2	ChEMBL_465777 (CHEMBL931046)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells
50038176	3	ChEMBL_465778 (CHEMBL931047)	Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells
50038176	4	ChEMBL_465781 (CHEMBL931050)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP
50038176	5	ChEMBL_465782 (CHEMBL931051)	Binding affinity to rat adenosine A3 receptor
50038177	1	ChEMBL_465787 (CHEMBL948149)	Binding affinity to human recombinant Abl by cell free assay
50038178	1	ChEMBL_465794 (CHEMBL948157)	Inhibition of human recombinant MMP1
50038178	2	ChEMBL_465798 (CHEMBL948161)	Inhibition of human recombinant MMP9
50038178	3	ChEMBL_465797 (CHEMBL948160)	Inhibition of human recombinant MMP8
50038178	4	ChEMBL_465801 (CHEMBL948164)	Inhibition of human recombinant TACE
50038178	5	ChEMBL_465795 (CHEMBL948158)	Inhibition of human recombinant MMP2
50038178	6	ChEMBL_465796 (CHEMBL948159)	Inhibition of human recombinant MMP3
50038178	7	ChEMBL_465799 (CHEMBL948162)	Inhibition of human recombinant MMP12
50038178	8	ChEMBL_465800 (CHEMBL948163)	Inhibition of human recombinant MMP13
50038180	1	ChEMBL_465861 (CHEMBL951084)	Inhibition of human FPPS
50038180	2	ChEMBL_465860 (CHEMBL951083)	Inhibition of Streptococcus pneumoniae UPPS
50038181	1	ChEMBL_465866 (CHEMBL951085)	Inhibition of human recombinant Akt1
50038181	2	ChEMBL_465867 (CHEMBL951086)	Inhibition of human recombinant Akt2
50038181	3	ChEMBL_465868 (CHEMBL951087)	Inhibition of human recombinant Akt3
50038181	4	ChEMBL_465869 (CHEMBL951088)	Inhibition of Akt1 phosphorylation in human C33a cells
50038181	5	ChEMBL_465870 (CHEMBL951089)	Inhibition of Akt2 phosphorylation in human C33a cells
50038182	1	ChEMBL_465909 (CHEMBL949171)	Inhibition of full length MMP2
50038182	2	ChEMBL_465911 (CHEMBL949173)	Inhibition of catalytic domain MMP9
50038182	3	ChEMBL_465908 (CHEMBL949170)	Inhibition of catalytic domain MMP1
50038183	1	ChEMBL_465933 (CHEMBL947057)	Displacement of [125I]eotaxin from human CCR3 receptor expressed in CHO cells
50038183	2	ChEMBL_465934 (CHEMBL947058)	Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-induced chemotaxis
50038183	3	ChEMBL_465951 (CHEMBL947075)	Antagonist activity at CCR3 receptor in cynomolgus monkey eosinophil assessed as as inhibition of chemotaxis
50038183	4	ChEMBL_465935 (CHEMBL947059)	Inhibition of CYP2D6
50038183	5	ChEMBL_465949 (CHEMBL947073)	Antagonist activity at human CCR3 receptor in human eosinophil assessed as inhibition of eotaxin-stimulated intracellular calcium flux
50038183	6	ChEMBL_465950 (CHEMBL947074)	Antagonist activity at CCR3 receptor in mouse eosinophil assessed as as inhibition of chemotaxis
50038184	1	ChEMBL_465957 (CHEMBL947081)	Displacement of [3H]LY354740 from rat mGluR2
50038184	2	ChEMBL_465958 (CHEMBL947082)	Displacement of [3H]LY354740 from rat recombinant mGluR2 expressed in CHO cells
50038184	3	ChEMBL_465959 (CHEMBL947083)	Antagonist activity at rat mGluR2 assessed as effect on (1S,3R)-ACPD-induced inhibition of forskolin-stimulated cAMP production
50038184	4	ChEMBL_465964 (CHEMBL948100)	Displacement of [3H]-L-AP4 from rat mGluR8
50038185	1	ChEMBL_465975 (CHEMBL931159)	Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells
50038185	2	ChEMBL_465978 (CHEMBL931162)	Inhibition of human BCRP pump mediated [3H]mitoxantrone transport in human Caco-2 cells
50038186	1	ChEMBL_466008 (CHEMBL948317)	Inhibition of steroid sulfatase-mediated conversion of [3H]E1S to E1
50038186	2	ChEMBL_466009 (CHEMBL948318)	Inhibition of human carbonic anhydrase 2
50038187	1	ChEMBL_466094 (CHEMBL934350)	Inhibition of human ERG
50038188	1	ChEMBL_466144 (CHEMBL934504)	Inhibition of PDE4B
50038188	2	ChEMBL_466145 (CHEMBL934505)	Inhibition of PDE3A
50038189	1	ChEMBL_466153 (CHEMBL950157)	Inhibition of PDE4B2 expressed in COS7 cells assessed as cAMP hydrolysis
50038190	1	ChEMBL_466158 (CHEMBL950162)	Displacement of [3H]dexamethasone from human recombinant GR
50038190	2	ChEMBL_466159 (CHEMBL950163)	Antagonist activity at GR in SW1353/MMTV5 cells assessed as inhibition of dexamethasone-induced luciferase expression
50000882	6	ChEBML_1697195	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50038192	1	ChEMBL_466183 (CHEMBL947947)	Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1
50038193	1	ChEMBL_466245 (CHEMBL951013)	Inhibition of human GSK3-beta by fluorescence anisotropy binding assay
50038193	2	ChEMBL_466246 (CHEMBL951012)	Inhibition of rat GSK3-beta in L6 cells assessed as accumulation of glycogen
50038193	3	ChEMBL_466257 (CHEMBL951024)	Inhibition of VEGFR2
50038194	1	ChEMBL_466273 (CHEMBL950102)	Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay
50038194	2	ChEMBL_466274 (CHEMBL950103)	Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay
50038194	3	ChEMBL_466275 (CHEMBL950104)	Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactivation assay
50038194	4	ChEMBL_466291 (CHEMBL950255)	Agonist activity at mouse PPARalpha by transactivation assay
50038194	5	ChEMBL_466292 (CHEMBL950256)	Agonist activity at mouse PPARgamma by transactivation assay
50038195	1	ChEMBL_466324 (CHEMBL947041)	Displacement of [125]RTI35 from human DAT expressed in canine kidney cells
50038195	2	ChEMBL_466322 (CHEMBL947039)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells
50038195	3	ChEMBL_466323 (CHEMBL947040)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50038196	1	ChEMBL_466337 (CHEMBL930254)	Inhibition of human CYP1A2
50038196	2	ChEMBL_466338 (CHEMBL930255)	Inhibition of human CYP2B6
50038196	3	ChEMBL_466339 (CHEMBL930256)	Inhibition of human CYP2C9
50038196	4	ChEMBL_466340 (CHEMBL930257)	Inhibition of human CYP2C19
50038196	5	ChEMBL_466341 (CHEMBL930258)	Inhibition of human CYP2D6
50038196	6	ChEMBL_466342 (CHEMBL930259)	Inhibition of human CYP3A4
50000882	7	ChEBML_1697199	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50038196	7	ChEMBL_466329 (CHEMBL929276)	Inhibition of human placental 17beta-HSD1
50038196	8	ChEMBL_466330 (CHEMBL929274)	Inhibition of human placental 17beta-HSD2
50038197	1	ChEMBL_466366 (CHEMBL932478)	Inhibition of CPA
50038198	1	ChEMBL_466367 (CHEMBL932479)	Displacement of [3H]PK115 from peripheral benzodiazepine receptor in Sprague-Dawley rat cortical membrane
50038199	1	ChEMBL_466368 (CHEMBL932480)	Antagonist activity at LuxR in Vibrio fischeri assessed as inhibition of N-3-oxos-hexanoyl-L-homoserine lactone induced luminescence
50038200	1	ChEMBL_466424 (CHEMBL936308)	Binding affinity to ADP-ribosylation factor 1 expressed HEK293 cells by surface plasmon resonance analysis
50038201	1	ChEMBL_466434 (CHEMBL926877)	Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of acetyl choline -induced current by two-electrode voltage-clamp method
50038201	2	ChEMBL_466435 (CHEMBL926878)	Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of choline-induced current by two-electrode voltage-clamp method
50038201	3	ChEMBL_466430 (CHEMBL926873)	Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of nicotine-induced current by two-electrode voltage-clamp method
50038201	4	ChEMBL_466427 (CHEMBL926870)	Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hippocampus
50038201	5	ChEMBL_466428 (CHEMBL926871)	Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala
50038201	6	ChEMBL_466429 (CHEMBL926872)	Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex
50038201	7	ChEMBL_466436 (CHEMBL926879)	Activation of human GABAA alpha-2-beta-3-gamma-2L receptor expressed in Xenopus oocytes assessed as modulation of GABA-induced current by two-electrode voltage-clamp method
50038201	8	ChEMBL_466431 (CHEMBL926874)	Activation of human GABAA alpha-2-beta-3-gamma-2L receptor expressed in Xenopus oocytes assessed as modulation of nicotine-induced current by two-electrode voltage-clamp method
50038202	2	ChEMBL_466472 (CHEMBL931282)	Inhibition of human Nav1.7 channel expressed in HEK293 cells at -120 mV by patch clamp method
50038202	5	ChEMBL_466479 (CHEMBL925895)	Inhibition of KCNQ3 channel
50038202	7	ChEMBL_466462 (CHEMBL931272)	Inhibition of human Nav1.8 channel expressed in human HEK293 cells by patch clamp method
50038202	11	ChEMBL_466467 (CHEMBL931277)	Inhibition of human Nav1.2 channel expressed in HEK293 cells at -60 mV by patch clamp method
50038202	13	ChEMBL_466469 (CHEMBL931279)	Inhibition of human Nav1.3 channel expressed in HEK293 cells at -60 mV by patch clamp method
50038202	14	ChEMBL_466470 (CHEMBL931280)	Inhibition of human Nav1.5 channel expressed in HEK293 cells at -150 mV by patch clamp method
50038202	15	ChEMBL_466463 (CHEMBL931273)	Inhibition of Nav1.8 channel in rat dorsal root ganglion neurons assessed as blockade of TTX-R current by patch clamp method
50038202	16	ChEMBL_466532 (CHEMBL928130)	Displacement of [3H]DPCPX from adenosine A1 receptor
50038202	17	ChEMBL_466534 (CHEMBL928132)	Displacement of [125I]AB-MECA from adenosine A3 receptor
50038202	18	ChEMBL_466536 (CHEMBL928134)	Displacement of [3H]RX821002 from adrenergic alpha-2 receptor
50038202	20	ChEMBL_466539 (CHEMBL928137)	Displacement of [125I]endothelin-1 from endothelin ETA receptor
50038202	21	ChEMBL_466541 (CHEMBL928139)	Displacement of [3H]SCH-23390 from dopamine D1 receptor
50038202	22	ChEMBL_466542 (CHEMBL928140)	Displacement of [3H]Win 55212-2 from cannabinoid CB2 receptor
50038202	23	ChEMBL_466543 (CHEMBL928141)	Displacement of [3H]spiperone from dopamine D2 receptor
50038202	24	ChEMBL_466546 (CHEMBL935638)	Displacement of [3H]SCH23390 from dopamine D5 receptor
50038202	25	ChEMBL_466550 (CHEMBL935642)	Displacement of [125I]MIP1-alpha from CCR1 receptor
50038202	26	ChEMBL_466552 (CHEMBL935644)	Displacement of [125I]APT from histamine H2 receptor
50038202	27	ChEMBL_466553 (CHEMBL935645)	Displacement of [3H]pirezepine from muscarinic M1 receptor
50038202	28	ChEMBL_466554 (CHEMBL935646)	Displacement of [3H]AF-DX384 from muscarinic M2 receptor
50038202	29	ChEMBL_466556 (CHEMBL935648)	Displacement of [3H]4DAMP from muscarinic M4 receptor
50038202	30	ChEMBL_466557 (CHEMBL935649)	Displacement of [3H]4DAMP from muscarinic M5 receptor
50038202	31	ChEMBL_466559 (CHEMBL935651)	Displacement of [3H]U-69593 from opioid kappa receptor
50038202	32	ChEMBL_466560 (CHEMBL935652)	Displacement of [3H]DAMGO from opioid mu receptor
50038202	33	ChEMBL_466561 (CHEMBL935653)	Displacement of [3H]nociceptin from ORL1 receptor
50038202	34	ChEMBL_466563 (CHEMBL935655)	Displacement of [3H]alpha,beta-methyl ATP from P2X receptor
50038202	35	ChEMBL_466564 (CHEMBL923689)	Displacement of [35S]dATP-alpha-S from P2Y receptor
50038202	36	ChEMBL_466565 (CHEMBL923690)	Displacement of [3H]8OH-DPAT from 5HT1A receptor
50038202	37	ChEMBL_466567 (CHEMBL923692)	Displacement of [3H]ketanserin from 5HT2A receptor
50038202	38	ChEMBL_466568 (CHEMBL923693)	Displacement of [3H]mesulergine from 5HT2C receptor
50038202	39	ChEMBL_466570 (CHEMBL923695)	Displacement of [3H]LSD from 5HT5A receptor
50038202	40	ChEMBL_466571 (CHEMBL923696)	Displacement of [3H]LSD from 5HT6 receptor
50038202	41	ChEMBL_466572 (CHEMBL923697)	Displacement of [3H]LSD from 5HT7 receptor
50038202	42	ChEMBL_466474 (CHEMBL931271)	Inhibition of TRPV1
50038202	44	ChEMBL_466477 (CHEMBL925893)	Inhibition of Cav2.2 channel
50038202	45	ChEMBL_466478 (CHEMBL925894)	Inhibition of KCNQ2 channel
50038202	46	ChEMBL_466569 (CHEMBL923694)	Displacement of [3H]BRL43694 from 5HT3 receptor
50038202	47	ChEMBL_466573 (CHEMBL923698)	Displacement of [3H]pentazocine from sigma1 receptor
50038202	48	ChEMBL_466476 (CHEMBL931284)	Inhibition of P2X3 receptor
50038202	49	ChEMBL_466533 (CHEMBL928131)	Displacement of [3H]CGS-21680 from adenosine A2A receptor
50038202	50	ChEMBL_466537 (CHEMBL928135)	Displacement of [3H](-)CGP-12177 from adrenergic beta-1 receptor
50038202	51	ChEMBL_466540 (CHEMBL928138)	Displacement of [3H]Win 55212-2 from cannabinoid CB1 receptor
50038202	52	ChEMBL_466544 (CHEMBL935636)	Displacement of [3H]spiperone from dopamine D3 receptor
50038202	53	ChEMBL_466548 (CHEMBL935640)	Displacement of [125I]IL8 from CXCR2 receptor
50038202	54	ChEMBL_466551 (CHEMBL935643)	Displacement of [3H]pyrilamine from histamine H1 receptor
50038202	55	ChEMBL_466555 (CHEMBL935647)	Displacement of [3H]4DAMP from muscarinic M3 receptor
50038202	57	ChEMBL_466566 (CHEMBL923691)	Displacement of [3H]CYP from 5HT1B receptor
50038203	1	ChEMBL_466587 (CHEMBL930237)	Binding affinity to Amycolatopsis orientalis OxyB
50038204	1	ChEMBL_466588 (CHEMBL930238)	Displacement of pentamannosyl phosphate bovine serum albumin from M6P/IGF2R
50038205	1	ChEMBL_466590 (CHEMBL930241)	Binding affinity to IL2 assessed as inhibition of IL2-IL2Ralpha interaction
50038205	2	ChEMBL_466592 (CHEMBL930243)	Binding affinity to human HDM2 assessed as inhibition of HDM2-p53 interaction
50038205	3	ChEMBL_466593 (CHEMBL930244)	Binding affinity to human HDM2
50038205	4	ChEMBL_466597 (CHEMBL925857)	Binding affinity to TNF
50038205	5	ChEMBL_466600 (CHEMBL925860)	Binding affinity to Escherichia coli ZipA
50038205	6	ChEMBL_466598 (CHEMBL925858)	Binding affinity to Bcl-XL
50038205	7	ChEMBL_466591 (CHEMBL930242)	Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interaction
50038205	8	ChEMBL_466596 (CHEMBL925856)	Binding affinity to Escherichia coli ZipA assessed as inhibition of ZipA-FtsZ derived peptide interaction
50038206	1	ChEMBL_466615 (CHEMBL930273)	Inhibition of recombinant GSK3-beta
50038207	1	ChEMBL_466620 (CHEMBL924794)	Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins
50038207	2	ChEMBL_466619 (CHEMBL924793)	Inhibition of human recombinant FPPS expressed in Escherichia coli BL21
50038208	1	ChEMBL_466720 (CHEMBL937441)	Inhibition of human SAHH
50038208	2	ChEMBL_466721 (CHEMBL937442)	Inhibition of Plasmodium falciparum SAHH
50038209	1	ChEMBL_466843 (CHEMBL925891)	Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as inhibition of dodecanoyl homoserine lactone induced production of beta-galactosidase
50038209	2	ChEMBL_466841 (CHEMBL925889)	Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli assessed as production of beta-galactosidase
50038210	1	ChEMBL_466862 (CHEMBL921559)	Inhibition of glyceraldehyde reduction activity of human AKR1B1
50038210	2	ChEMBL_466863 (CHEMBL921563)	Inhibition of rat AKR1B4
50038210	3	ChEMBL_466848 (CHEMBL921548)	Inhibition of retinaldehyde reductase activity of human AKR1B10
50038211	1	ChEMBL_466872 (CHEMBL922712)	Inhibition of mouse brain AChE
50038211	3	ChEMBL_466877 (CHEMBL922717)	Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method
50038212	1	ChEMBL_466879 (CHEMBL930476)	Displacement of [3H]CP-55940 from human wild type CB1R expressed in CHO cells
50038212	2	ChEMBL_466890 (CHEMBL935778)	Displacement of [3H]SR-141716 from human wild type CB1R expressed in CHO cells
50038214	1	ChEMBL_466900 (CHEMBL935788)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50038215	1	ChEMBL_466942 (CHEMBL933707)	Inhibition of PDE10A
50038215	2	ChEMBL_466943 (CHEMBL933708)	Inhibition of PDE3A
50038215	3	ChEMBL_466944 (CHEMBL933709)	Inhibition of PDE3B
50038216	1	ChEMBL_467019 (CHEMBL924923)	Inhibition of human endo-beta-N-acetylglucosaminidase expressed in Hek293 cells after 3 mins
50038216	2	ChEMBL_467015 (CHEMBL924919)	Inhibition of Arthrobacter protophormiae endo-beta-N-acetylglucosaminidase after 5 mins by HPAEC-PED method
50038217	1	ChEMBL_467033 (CHEMBL932723)	Inhibition of MIF-mediated dopachrome tautomerase activity
50038218	1	ChEMBL_467046 (CHEMBL929127)	Activation of human recombinant Rnase L assessed as cleavage of FRET RNA probe
50038218	2	ChEMBL_467044 (CHEMBL929125)	Displacement of 5'-phosphorylated, 2',5'-oligoadenylate from human recombinant RNase L assessed as decrease in resonance by surface plasma resonance
50038218	3	ChEMBL_467061 (CHEMBL929142)	Binding affinity to human recombinant RNase L
50038219	1	ChEMBL_467066 (CHEMBL921576)	Inhibition of IKK beta at 300 uM by K-ELISA
50038220	1	ChEMBL_467083 (CHEMBL934766)	Inhibition of stromelysin mediated beta-casein cleavage
50038221	1	ChEMBL_467194 (CHEMBL922507)	Inhibition of monoamine oxidase A
50038222	1	ChEMBL_467213 (CHEMBL928085)	Activity at rat cloned mGluR1a expressed in CHO cells assessed as effect on cAMP accumulation
50038222	2	ChEMBL_467214 (CHEMBL928084)	Activity at rat cloned mGluR2 expressed in CHO cells assessed as effect on cAMP accumulation
50038222	3	ChEMBL_467215 (CHEMBL928086)	Activity at rat cloned mGluR4 expressed in CHO cells assessed as effect on cAMP accumulation
50038222	4	ChEMBL_467201 (CHEMBL922514)	Activity at rat cloned iGluR1 expressed in human HEK293 cells by calcium imaging assay
50038222	5	ChEMBL_467203 (CHEMBL928074)	Activity at rat cloned iGluR2 expressed in human HEK293 cells by calcium imaging assay
50038222	6	ChEMBL_467205 (CHEMBL928076)	Activity at rat cloned iGluR3 expressed in human HEK293 cells by calcium imaging assay
50038222	7	ChEMBL_467207 (CHEMBL928078)	Activity at rat cloned iGluR4 expressed in human HEK293 cells by calcium imaging assay
50038222	8	ChEMBL_467209 (CHEMBL928080)	Activity at rat cloned iGluR5 expressed in human HEK293 cells by calcium imaging assay
50038222	9	ChEMBL_467211 (CHEMBL928082)	Activity at rat cloned iGluR6 expressed in human HEK293 cells by calcium imaging assay
50038223	1	ChEMBL_467319 (CHEMBL939914)	Inhibition of human recombinant FDPS expressed in BL21 gold bacteria
50038223	2	ChEMBL_467320 (CHEMBL939915)	Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria
50038224	1	ChEMBL_467324 (CHEMBL939919)	Agonist activity at human recombinant dopamine D1 receptor expressed in CHO cells assessed as stimulation of cAMP production
50038224	2	ChEMBL_467325 (CHEMBL939920)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production
50038225	1	ChEMBL_467337 (CHEMBL939932)	Inhibition of human JNK1 by radiometric assay
50038225	2	ChEMBL_467338 (CHEMBL939933)	Inhibition of p38 alpha
50038225	3	ChEMBL_467339 (CHEMBL939934)	Inhibition of ERK1
50038225	4	ChEMBL_467340 (CHEMBL934566)	Inhibition of JNK1 in rat H9c2 cells assessed as inhibition of anisomycin-induced AP1 phosphorylation after 30 mins
50038225	5	ChEMBL_467350 (CHEMBL934576)	Inhibition of JNK2
50038225	6	ChEMBL_467354 (CHEMBL934580)	Inhibition of IKK-beta
50038225	7	ChEMBL_467355 (CHEMBL934581)	Inhibition of TAK1
50038225	8	ChEMBL_467356 (CHEMBL934582)	Inhibition of PKCtheta
50038225	9	ChEMBL_467351 (CHEMBL934577)	Inhibition of JNK3
50038225	10	ChEMBL_467357 (CHEMBL934583)	Inhibition of MEKK
50038226	1	ChEMBL_467395 (CHEMBL921928)	Inhibition of yeast G6PD
50038226	2	ChEMBL_467396 (CHEMBL921930)	Inhibition of 6PGD
50038227	1	ChEMBL_467402 (CHEMBL929143)	Inhibition of recombinant PYK2
50038228	1	ChEMBL_467614 (CHEMBL930489)	Agonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay
50038228	2	ChEMBL_467616 (CHEMBL930491)	Antagonist activity at human androgen receptor african green monkey CV1 cells by cotransfection assay
50038228	3	ChEMBL_467618 (CHEMBL930493)	Activity at androgen receptor in human Saos2 cells assessed as IL6 repression
50038228	4	ChEMBL_467617 (CHEMBL930492)	Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay
50038229	1	ChEMBL_467620 (CHEMBL930495)	Inhibition of human SERT
50038229	2	ChEMBL_467619 (CHEMBL930494)	Inhibition of human NET
50038229	3	ChEMBL_467621 (CHEMBL930496)	Inhibition of human DAT
50038230	1	ChEMBL_467631 (CHEMBL930506)	Binding affinity to human P2Y1 receptor
50000882	8	ChEBML_1697198	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50000882	9	ChEBML_1697186	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	10	ChEBML_1697199	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50000882	11	ChEBML_1697189	Inhibition of rat serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	12	ChEBML_1697196	Inhibition of human serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	13	ChEBML_1697185	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	14	ChEBML_1697188	Inhibition of rat cortex homogenate AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50000882	15	ChEBML_1697195	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50038232	1	ChEMBL_467697 (CHEMBL937619)	Inhibition of CYP2D6
50038232	2	ChEMBL_467694 (CHEMBL937616)	Inhibition of CYP1A2
50038232	3	ChEMBL_467695 (CHEMBL937617)	Inhibition of CYP2C19
50038232	4	ChEMBL_467696 (CHEMBL937618)	Inhibition of CYP2C9
50038232	5	ChEMBL_467698 (CHEMBL937620)	Inhibition of CYP3A4
50038233	2	ChEMBL_467785 (CHEMBL931349)	Antagonist activity at human ORL1 receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay
50038233	3	ChEMBL_467786 (CHEMBL931350)	Displacement of [3H]diprenorphin from human cloned mu opioid receptor expressed in CHO cell membrane
50038233	5	ChEMBL_467787 (CHEMBL931351)	Displacement of [3H]U-69593 from human cloned kappa opioid receptor expressed in CHO cell membrane
50038234	1	ChEMBL_467791 (CHEMBL931355)	Inhibition of serotonin uptake at human SERT expressed in HEK293 cells
50038234	2	ChEMBL_467790 (CHEMBL931354)	Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells
50038234	3	ChEMBL_467792 (CHEMBL931356)	Inhibition of dopamine uptake at human DAT expressed in HEK293 cells
50038235	1	ChEMBL_467815 (CHEMBL936449)	Inhibition of IRAK4
50038236	1	ChEMBL_467822 (CHEMBL936456)	Inhibition of PTP1B by fluorescein diphosphate assay
50038236	2	ChEMBL_467823 (CHEMBL936457)	Inhibition of CD45 by fluorescein diphosphate assay
50038237	3	ChEMBL_467871 (CHEMBL937421)	Inhibition of Akt3
50038237	4	ChEMBL_467875 (CHEMBL937425)	Inhibition of human ERG
50038237	5	ChEMBL_467867 (CHEMBL937417)	Inhibition of Akt1
50038237	6	ChEMBL_467868 (CHEMBL937418)	Inhibition of Akt2
50000882	16	ChEBML_1697198	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50000883	1	ChEBML_1697214	Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence method
50038238	8	ChEMBL_467897 (CHEMBL925931)	Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release
50000883	2	ChEMBL_1697205 (CHEMBL4048095)	Inhibition of recombinant human MAO-B expressed in insect cell microsomes using kynuramine as substrate by fluorescence spectrophotometric method
50000883	3	ChEBML_1697207	Inhibition of electric eel AChE using acetylthiocholine as substrate incubated for 15 mins by Ellman's method
50038238	7	ChEMBL_467905 (CHEMBL925939)	Binding affinity to rat MC4R
50038238	6	ChEMBL_467904 (CHEMBL925938)	Binding affinity to human MC5R
50038239	1	ChEMBL_467929 (CHEMBL934518)	Displacement of [3H]spiperone from cloned human dopamine D2L receptor expressed in CHO cells
50038239	2	ChEMBL_467930 (CHEMBL934519)	Displacement of [3H]spiperone from cloned human dopamine D2S receptor expressed in CHO cells
50038239	3	ChEMBL_467931 (CHEMBL934520)	Displacement of [3H]spiperone from cloned human dopamine D3 receptor expressed in CHO cells
50038239	4	ChEMBL_467935 (CHEMBL951044)	Displacement of [3H]ketanserin from 5HT2 receptor in pig cortical membranes
50038239	5	ChEMBL_467933 (CHEMBL951042)	Displacement of [3H]SCH23990 from dopamine D1 receptor in pig striatal membrane
50000883	4	ChEBML_1697210	Inhibition of equine serum BuChE incubated for 15 mins by Ellman's method
50000883	5	ChEBML_1697213	Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence method
50038240	5	ChEMBL_467956 (CHEMBL946086)	Binding affinity to MC5R
50038240	6	ChEMBL_467954 (CHEMBL946084)	Binding affinity to MC1R
50038241	1	ChEMBL_468017 (CHEMBL947228)	Inhibition of human COX2 in human whole blood
50038241	2	ChEMBL_468015 (CHEMBL947226)	Inhibition of human COX2
50038242	1	ChEMBL_468020 (CHEMBL947231)	Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique
50038243	1	ChEMBL_468024 (CHEMBL948247)	Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells
50038243	2	ChEMBL_468028 (CHEMBL948251)	Binding affinity to human NPY Y1 receptor
50038243	3	ChEMBL_468029 (CHEMBL948252)	Binding affinity to human NPY Y2 receptor
50038243	4	ChEMBL_468030 (CHEMBL948253)	Binding affinity to human NPY Y4 receptor
50038244	1	ChEMBL_468058 (CHEMBL930674)	Inhibition of NEP
50038244	2	ChEMBL_468056 (CHEMBL930672)	Inhibition of ACE
50038245	1	ChEMBL_468074 (CHEMBL931658)	Inhibition of human recombinant HDAC1
50038246	1	ChEMBL_468123 (CHEMBL934143)	Activity of tetrahydrobiopterin free nNOS
50038247	1	ChEMBL_468136 (CHEMBL947112)	Binding affinity to E-selectin
50038248	1	ChEMBL_468301 (CHEMBL930592)	Inhibition of 17beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]-estrone into [14C]estrogen
50038249	1	ChEMBL_468343 (CHEMBL931806)	Agonist activity at human recombinant PPARalpha in HEK293 cells by GAL4 transactivation assay
50038249	2	ChEMBL_468344 (CHEMBL931807)	Agonist activity at human recombinant PPARdelta in HEK293 cells by GAL4 transactivation assay
50038249	3	ChEMBL_468345 (CHEMBL931808)	Agonist activity at human recombinant PPARgamma in HEK293 cells by GAL4 transactivation assay
50038250	1	ChEMBL_468366 (CHEMBL931950)	Binding affinity to pig cortical membrane dopamine D1 receptor
50038250	2	ChEMBL_468371 (CHEMBL931955)	Binding affinity to human D3 receptor
50038250	3	ChEMBL_468369 (CHEMBL931953)	Displacement of [3H]ketanserin from pig cortical membrane 5HT2 receptor
50038250	4	ChEMBL_468370 (CHEMBL931954)	Binding affinity to human dopamine D2 long receptor
50038251	1	ChEMBL_468405 (CHEMBL934305)	Inhibition of human transketolase in HCT116 cells
50038251	2	ChEMBL_468404 (CHEMBL934304)	Inhibition of transketolase by TPPK/apo-TK coupled assay
50038251	3	ChEMBL_468403 (CHEMBL934303)	Binding affinity to apo-transketolase
50038252	1	ChEMBL_468418 (CHEMBL934433)	Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay
50038253	1	ChEMBL_468446 (CHEMBL929789)	Agonist activity at mu opioid receptor in Swiss mouse vas deferens assessed as inhibition of electrically-stimulated twitch
50038254	1	ChEMBL_468527 (CHEMBL932962)	Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1
50038255	2	ChEMBL_468539 (CHEMBL931964)	Inhibition of BACE2
50000884	1	ChEBML_1697237	Binding affinity to His-tagged Keap1 DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli assessed as reduction in protein interaction with FAM-labeled Nrf2 peptide after 30 mins by fluorescence polarization assay
50000885	1	ChEBML_1697276	Inhibition of recombinant human N-terminal GST-tagged DOT1L (2 to 416 residues) expressed in Escherichia coli assessed as reduction in histone H3 lysine-N-methyltransferase activity using nucleosomes after 3 hrs in presence of SAM by AlphLisa assay
50038255	3	ChEMBL_468540 (CHEMBL931965)	Inhibition of cathepsin D
50000886	1	ChEBML_1697375	Inhibition of human SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst staining based high content imaging analysis
50000886	9	ChEMBL_1697371 (CHEMBL4048261)	Inhibition of SPPL2a in mouse whole blood assessed as increase in CD74/p8 accumulation after 5.5 hrs by Western bot method
50038256	1	ChEMBL_468543 (CHEMBL930968)	Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay
50038256	2	ChEMBL_468544 (CHEMBL930969)	Antagonist activity at LPA1 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay
50038256	3	ChEMBL_468548 (CHEMBL930972)	Antagonist activity at LPA2 assessed as inhibition of LPA-induced Ca2+ flux
50038256	4	ChEMBL_468545 (CHEMBL931968)	Antagonist activity at LPA3 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay
50038257	1	ChEMBL_468552 (CHEMBL930976)	Antagonist activity at rat muscarinic M4 receptor expressed in CHO cells by calcium mobilization assay
50038257	2	ChEMBL_468553 (CHEMBL930977)	Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells by calcium mobilization assay
50038257	3	ChEMBL_468550 (CHEMBL930974)	Antagonist activity at rat muscarinic M2 receptor expressed in CHO cells by calcium mobilization assay
50038257	4	ChEMBL_468549 (CHEMBL930973)	Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells by calcium mobilization assay
50038257	5	ChEMBL_468551 (CHEMBL930975)	Antagonist activity at rat muscarinic M3 receptor expressed in CHO cells by calcium mobilization assay
50038257	6	ChEMBL_468558 (CHEMBL932105)	Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells
50038257	7	ChEMBL_468559 (CHEMBL932106)	Displacement of [3H]NMS from rat muscarinic M2 receptor expressed in CHO cells
50038257	8	ChEMBL_468560 (CHEMBL932107)	Displacement of [3H]NMS from rat muscarinic M3 receptor expressed in CHO cells
50038257	9	ChEMBL_468561 (CHEMBL932108)	Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells
50038257	10	ChEMBL_468562 (CHEMBL932109)	Displacement of [3H]NMS from rat muscarinic M5 receptor expressed in CHO cells
50038258	1	ChEMBL_468586 (CHEMBL931106)	Binding affinity to sigma 1 receptor in rat liver membrane
50038259	1	ChEMBL_468588 (CHEMBL931111)	Antagonist activity at human Dvl1 assessed as inhibition of interaction between Dvl1 PDZ domain and Fz7 PDZ domain by alphaScreen assay
50038259	2	ChEMBL_468589 (CHEMBL931112)	Antagonist activity at human Dvl3 assessed as inhibition of interaction between Dvl3 PDZ domain and Fz7 PDZ domain by alphaScreen assay
50038260	1	ChEMBL_468598 (CHEMBL947895)	Inhibition of erbB2
50038260	2	ChEMBL_468599 (CHEMBL947896)	Inhibition of EGFR
50038260	3	ChEMBL_468600 (CHEMBL947897)	Inhibition of erB2 autophosphorylation in clone 24 cells
50038261	1	ChEMBL_468615 (CHEMBL947912)	Inhibition of transketolase in human HCT116 cells
50038261	2	ChEMBL_468617 (CHEMBL947914)	Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay
50038261	3	ChEMBL_468614 (CHEMBL947911)	Inhibition of apo-transketolase
50038262	1	ChEMBL_468628 (CHEMBL934445)	Binding affinity at iGluR4o receptor expressed in sf9 cells by radioligand binding assay
50038262	2	ChEMBL_468629 (CHEMBL934446)	Binding affinity at iGluR5(Q) receptor expressed in sf9 cells by radioligand binding assay
50038262	3	ChEMBL_468630 (CHEMBL934447)	Binding affinity at iGluR6(V,C,R) receptor expressed in sf9 cells by radioligand binding assay
50038262	4	ChEMBL_468625 (CHEMBL934442)	Binding affinity at iGluR1o receptor expressed in sf9 cells by radioligand binding assay
50038262	5	ChEMBL_468626 (CHEMBL934443)	Binding affinity at iGluR2o(R) receptor expressed in sf9 cells by radioligand binding assay
50038262	6	ChEMBL_468624 (CHEMBL934441)	Binding affinity at iGluR2 receptor S1S2J domain expressed in sf9 cells by radioligand binding assay
50038262	7	ChEMBL_468627 (CHEMBL934444)	Binding affinity at iGluR3o receptor expressed in sf9 cells by radioligand binding assay
50038263	1	ChEMBL_468662 (CHEMBL950989)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins
50038264	1	ChEMBL_468679 (CHEMBL951131)	Displacement of [3H]estradiol from purified full length human ERbeta receptor
50038264	2	ChEMBL_468678 (CHEMBL951130)	Displacement of [3H]estradiol from purified full length human ERalpha receptor
50038264	3	ChEMBL_468681 (CHEMBL951133)	Agonist activity at full length human ERbeta receptor expressed in human HEC-1 cells assessed as (ERE)2-pS2-luc reporter gene transcriptional activity
50038264	4	ChEMBL_468682 (CHEMBL951134)	Agonist activity at full length human ERalpha receptor expressed in human HEC-1 cells assessed as (ERE)2-pS2-luc reporter gene transcriptional activity
50038265	1	ChEMBL_468711 (CHEMBL929847)	Inhibition of wild type HIV1 recombinant aspartic protease
50038266	1	ChEMBL_468712 (CHEMBL929848)	Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay
50038266	2	ChEMBL_468720 (CHEMBL929856)	Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation assay
50038266	3	ChEMBL_468713 (CHEMBL929849)	Agonist activity at human PPARgamma expressed in CV1 cells by transactivation assay
50038266	4	ChEMBL_468714 (CHEMBL929850)	Agonist activity at human PPARdelta expressed in CV1 cells by transactivation assay
50038266	5	ChEMBL_468721 (CHEMBL930876)	Agonist activity at mouse PPARgamma expressed in CV1 cells by transactivation assay
50038267	1	ChEMBL_468732 (CHEMBL929914)	Inhibition of PAD4 by ABPP-based assay
50000886	3	ChEBML_1697379	Inhibition of rat SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 77 residues) NLS as substrate after 24 hrs by Hoechst staining based high content imaging assay
50038267	2	ChEMBL_468734 (CHEMBL929916)	Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses
50000886	4	ChEMBL_1697378 (CHEMBL4048268)	Inhibition of mouse SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 77 residues) NLS as substrate after 24 hrs by Hoechst staining based high content imaging assay
50038267	3	ChEMBL_468733 (CHEMBL929915)	Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses
50038268	1	ChEMBL_468763 (CHEMBL931901)	Inhibition of human factor 10a
50038269	1	ChEMBL_468798 (CHEMBL932038)	Displacement of [3H]PGE2 from human EP1 receptor
50038269	2	ChEMBL_468799 (CHEMBL932039)	Displacement of [3H]PGE2 from human EP3 receptor
50038269	3	ChEMBL_468780 (CHEMBL933110)	Agonist activity at human EP4 receptor by cAMP assay
50038269	4	ChEMBL_468777 (CHEMBL931917)	Displacement of [3H]PGE2 from human EP2 receptor
50038269	5	ChEMBL_468778 (CHEMBL931918)	Agonist activity at human EP2 receptor by cAMP assay
50038269	6	ChEMBL_468779 (CHEMBL933109)	Displacement of [3H]PGE4 from human EP4 receptor
50038270	1	ChEMBL_468802 (CHEMBL932042)	Inhibition of human recombinant p38alpha
50038270	2	ChEMBL_468804 (CHEMBL932044)	Inhibition of mouse p38alpha in anisomycin-stimulated RAW 264.7 cells by ELISA
50038271	1	ChEMBL_468810 (CHEMBL932050)	Inhibition of rat intestinal sucrase
50038271	2	ChEMBL_468811 (CHEMBL932051)	Inhibition of rat intestinal maltase
50038271	3	ChEMBL_468820 (CHEMBL932060)	Inhibition of sucrose hydrolyzing activity of rat intestinal alpha glucosidase
50000886	6	ChEBML_1697377	Inhibition of human SPPL2b expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst staining based high content imaging assay
50000887	37	ChEMBL_1697640 (CHEMBL4048530)	Inhibition of full length recombinant C-terminal 6His-tagged human Cdk9/full-length human Cyclin T1 after 60 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	29	ChEMBL_1697422 (CHEMBL4048312)	Inhibition of CDK9/cyclin T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	36	ChEMBL_1697430 (CHEMBL4048320)	Inhibition of CDK1/cyclin E (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	27	ChEMBL_1697421 (CHEMBL4048311)	Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	35	ChEMBL_1697639 (CHEMBL4048529)	Inhibition of human GST-tagged CDK4/cyclin D1 expressed in baculovirus infected insect Sf9 cells after 30 mins in presence of [32P]-gamma-ATP by scintillation counting method
50038272	3	ChEMBL_468823 (CHEMBL932063)	Inhibition of DPP4 in rat plasma by fluorescence assay
50000887	26	ChEMBL_1697439 (CHEMBL4048329)	Inhibition of CDK9/cyclin K (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	25	ChEMBL_1697438 (CHEMBL4048328)	Inhibition of CDK7/cyclin H (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50038273	1	ChEMBL_468832 (CHEMBL932205)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells
50038273	2	ChEMBL_468829 (CHEMBL932202)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells
50038273	3	ChEMBL_468830 (CHEMBL932203)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells
50038273	4	ChEMBL_468831 (CHEMBL932204)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells
50038273	5	ChEMBL_468833 (CHEMBL932206)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells
50038274	1	ChEMBL_468840 (CHEMBL947927)	Inhibition of HDAC7
50038274	2	ChEMBL_468841 (CHEMBL947928)	Inhibition of HDAC8
50038274	3	ChEMBL_468842 (CHEMBL947929)	Inhibition of HDAC11
50038274	4	ChEMBL_468834 (CHEMBL947921)	Inhibition of HDAC1
50038274	5	ChEMBL_468838 (CHEMBL947925)	Inhibition of HDAC5
50038274	6	ChEMBL_468835 (CHEMBL947922)	Inhibition of HDAC2
50038274	7	ChEMBL_468836 (CHEMBL947923)	Inhibition of HDAC3
50038274	8	ChEMBL_468839 (CHEMBL947926)	Inhibition of HDAC6
50038274	9	ChEMBL_468837 (CHEMBL947924)	Inhibition of HDAC4
50038275	1	ChEMBL_468856 (CHEMBL948074)	Binding affinity to 5HT2A receptor
50038275	2	ChEMBL_468857 (CHEMBL948075)	Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells
50038276	1	ChEMBL_468879 (CHEMBL949042)	Inhibition of human Wee1
50000887	38	ChEMBL_1697453 (CHEMBL4048343)	Inhibition of [3H]-astemizole binding to human ERG expressed in HEK293 cell membranes by scintillation counting method
50000887	24	ChEMBL_1697437 (CHEMBL4048327)	Inhibition of CDK6/cyclin D3 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	6	ChEBML_1697431	Inhibition of CDK2/cyclin O (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	23	ChEMBL_1697436 (CHEMBL4048326)	Inhibition of CDK6/cyclin D1 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	14	ChEBML_1697515	Inhibition of human CYP1A2 using fluorogenic substrate preincubated with co-factor for 10 mins followed by enzyme-substrate addition by fluorometric method
50000887	15	ChEBML_1697516	Inhibition of human CYP2D6 using fluorogenic substrate preincubated with co-factor for 10 mins followed by enzyme-substrate addition by fluorometric method
50000887	16	ChEBML_1697518	Inhibition of human CYP2C19 using fluorogenic substrate preincubated with co-factor for 10 mins followed by enzyme-substrate addition by fluorometric method
50000887	17	ChEBML_1697519	Inhibition of human CYP3A4 using fluorogenic substrate preincubated with co-factor for 10 mins followed by enzyme-substrate addition by fluorometric method
50000887	18	ChEBML_1697517	Inhibition of human CYP2C9 using fluorogenic substrate preincubated with co-factor for 10 mins followed by enzyme-substrate addition by fluorometric method
50000887	32	ChEMBL_1697435 (CHEMBL4048325)	Inhibition of CDK5/cyclin p35 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	30	ChEMBL_1697433 (CHEMBL4048323)	Inhibition of CDK4/cyclin D3 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	31	ChEMBL_1697434 (CHEMBL4048324)	Inhibition of CDK5/cyclin p25 (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	34	ChEMBL_1697638 (CHEMBL4048528)	Inhibition of CDK9/cyclin T1 (unknown origin)
50000887	33	ChEMBL_1697429 (CHEMBL4048319)	Inhibition of CDK1/cyclin A (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000887	28	ChEMBL_1697432 (CHEMBL4048322)	Inhibition of CDK3/cyclin E (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay
50000889	7	ChEMBL_1697664 (CHEMBL4048554)	Inhibition of RIPK1 in mouse L929sA cells transfected with human Fas assessed as inhibition in TNF-induced necroptosis pretreated for 0.5 hrs followed by TNF and zVAD.fmk addition measured after 3 hrs by Hoechst 33342/propidium iodide staining-based assay
50000889	5	ChEMBL_1697666 (CHEMBL4048556)	Inhibition of RIPK1 in mouse L929sA cells transfected with human Fas assessed as inhibition in TNF-induced necroptosis pretreated for 24 hrs followed by TNF and zVAD.fmk addition measured after 3 hrs by Hoechst 33342/propidium iodide staining-based assay
50000889	1	ChEBML_1697673	Inhibition of human recombinant AurKA after 4 hrs by ADP-Glo assay
50000889	2	ChEBML_1697674	Inhibition of human recombinant AurKB after 4 hrs by ADP-Glo assay
50038277	1	ChEMBL_468926 (CHEMBL949217)	Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells
50038277	2	ChEMBL_468941 (CHEMBL930589)	Antagonist activity at CCR5 receptor by [35S]GTP-gamma-S binding assay
50038278	1	ChEMBL_468943 (CHEMBL930591)	Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex
50038279	1	ChEMBL_468951 (CHEMBL951290)	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay
50038279	2	ChEMBL_468952 (CHEMBL951291)	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay
50038279	3	ChEMBL_468954 (CHEMBL951293)	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay
50038279	4	ChEMBL_468953 (CHEMBL951292)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as forskolin-stimulated response by beta-galactosidase reporter gene assay
50038280	1	ChEMBL_468962 (CHEMBL952107)	Inhibition of aromatase in human SKBR3 cells by tritiated water release assay
50038281	1	ChEMBL_468975 (CHEMBL952120)	Inhibition of Lck
50038281	3	ChEMBL_468967 (CHEMBL952112)	Inhibition of CDK2 by FRET assay
50038281	4	ChEMBL_468964 (CHEMBL952109)	Inhibition of CDK2
50000889	3	ChEMBL_1697675 (CHEMBL4048565)	Inhibition of human recombinant RIPK1 after 4 hrs by ADP-Glo assay
50000889	4	ChEBML_1697666	Inhibition of RIPK1 in mouse L929sA cells transfected with human Fas assessed as inhibition in TNF-induced necroptosis pretreated for 24 hrs followed by TNF and zVAD.fmk addition measured after 3 hrs by Hoechst 33342/propidium iodide staining-based assay
50038281	6	ChEMBL_468977 (CHEMBL952122)	Inhibition of p38alpha
50038281	7	ChEMBL_468965 (CHEMBL952110)	Inhibition of EphB4 by Panvera FRET-based assay
50038282	1	ChEMBL_469006 (CHEMBL949319)	Inhibition of monoamine oxidase B
50038282	2	ChEMBL_469018 (CHEMBL949331)	Inhibition of human CYP1A2
50038282	3	ChEMBL_469020 (CHEMBL952133)	Inhibition of human CYP2C19
50038282	4	ChEMBL_469021 (CHEMBL952134)	Inhibition of human CYP3A4
50038282	5	ChEMBL_469022 (CHEMBL949333)	Inhibition of human CYP2D6
50038282	6	ChEMBL_469005 (CHEMBL949318)	Inhibition of monoamine oxidase A
50038282	7	ChEMBL_469019 (CHEMBL949332)	Inhibition of human CYP2C9
50038283	1	ChEMBL_469030 (CHEMBL949341)	Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells
50038284	2	ChEMBL_469034 (CHEMBL930943)	Displacement of [3H]PDBu from PKCbeta C1B domain
50038284	6	ChEMBL_469039 (CHEMBL929992)	Displacement of [3H]PDBu from PKCdelta C1B domain
50038284	8	ChEMBL_469042 (CHEMBL929994)	Displacement of [3H]PDBu from PKCtheta C1B domain
50038284	9	ChEMBL_469037 (CHEMBL930946)	Displacement of [3H]PDBu from PKCgamma C1A domain
50038284	10	ChEMBL_469040 (CHEMBL929991)	Displacement of [3H]PDBu from PKCepsilon C1B domain
50000889	6	ChEBML_1697665	Binding affinity to RIPK1 (unknown origin)
50038285	1	ChEMBL_469153 (CHEMBL929072)	Inhibition of MMP13
50038285	2	ChEMBL_469149 (CHEMBL929068)	Inhibition of MMP1
50038285	3	ChEMBL_469150 (CHEMBL929069)	Inhibition of MMP2
50038285	4	ChEMBL_469151 (CHEMBL929070)	Inhibition of MMP3
50038285	5	ChEMBL_469152 (CHEMBL929071)	Inhibition of MMP9
50038286	1	ChEMBL_469158 (CHEMBL929077)	Inhibition of cathepsin E
50038286	4	ChEMBL_469157 (CHEMBL929076)	Inhibition of cathepsin D
50000891	6	ChEMBL_1697694 (CHEMBL4048584)	Agonist activity at human A1AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins followed by forskolin addition measured after 30 mins by Alphascreen assay
50000890	1	ChEBML_1697682	Inhibition of human PR3 using ABZ-VADnVADYQ-EDDnp as substrate by FRET assay
50000891	1	ChEMBL_1697697 (CHEMBL4048587)	Agonist activity at human A1AR expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4 dye-based fluorescence assay
50038286	5	ChEMBL_469155 (CHEMBL929074)	Inhibition of BACE2
50000891	2	ChEBML_1697703	Agonist activity at human A2BAR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 mins followed by forskolin addition measured after 30 mins by Alphascreen assay
50000891	3	ChEBML_1697694	Agonist activity at human A1AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins followed by forskolin addition measured after 30 mins by Alphascreen assay
50038287	1	ChEMBL_469183 (CHEMBL932208)	Inhibition of human recombinant CA2 by CO2 hydration stopped flow assay
50038287	2	ChEMBL_469182 (CHEMBL932207)	Inhibition of human recombinant CA1 by CO2 hydration stopped flow assay
50038287	3	ChEMBL_469184 (CHEMBL932209)	Inhibition of human recombinant CA9 by CO2 hydration stopped flow assay
50038287	4	ChEMBL_469185 (CHEMBL932210)	Inhibition of human recombinant CA12 by CO2 hydration stopped flow assay
50038288	1	ChEMBL_469190 (CHEMBL932215)	Inhibition of human aromatase in placental microsomes
50038289	1	ChEMBL_469192 (CHEMBL932218)	Inhibition of factor 10a
50038290	1	ChEMBL_469203 (CHEMBL932228)	Inhibition of human recombinant PTP1B
50038290	2	ChEMBL_469204 (CHEMBL932229)	Inhibition of human recombinant PTP1B by Lineweaver-Burke plot
50038291	1	ChEMBL_469216 (CHEMBL948917)	Inhibition of human alpha-thrombin
50038291	2	ChEMBL_469230 (CHEMBL948931)	Inhibition of human factor 10a
50038291	3	ChEMBL_469241 (CHEMBL948942)	Inhibition of human chymase
50038291	4	ChEMBL_469245 (CHEMBL948945)	Inhibition of granzyme B
50038291	5	ChEMBL_469247 (CHEMBL948947)	Inhibition of pig kidney PEP
50038291	6	ChEMBL_469248 (CHEMBL949931)	Inhibition of human recombinant DPP4
50038291	7	ChEMBL_469263 (CHEMBL949945)	Inhibition of human recombinant cathepsin K
50038291	8	ChEMBL_469264 (CHEMBL949946)	Inhibition of human liver cathepsin B
50038291	9	ChEMBL_469265 (CHEMBL949947)	Inhibition of human recombinant cathepsin L
50038291	10	ChEMBL_469266 (CHEMBL949948)	Inhibition of human recombinant cathepsin S
50038291	11	ChEMBL_469280 (CHEMBL949125)	Inhibition of MMP3
50038291	12	ChEMBL_469283 (CHEMBL949127)	Inhibition of rat FAAH
50038291	13	ChEMBL_469291 (CHEMBL950068)	Inhibition of human glycinamide ribonucleotide transformylase
50038291	14	ChEMBL_469231 (CHEMBL948932)	Inhibition of factor 12a
50038291	15	ChEMBL_469232 (CHEMBL948933)	Inhibition of kallikrein
50038291	16	ChEMBL_469234 (CHEMBL948935)	Inhibition of plasmin
50038291	17	ChEMBL_469246 (CHEMBL948946)	Inhibition of C3 convertase
50038291	18	ChEMBL_469207 (CHEMBL932239)	Inhibition of human neutrophil elastase
50038291	19	ChEMBL_469233 (CHEMBL948934)	Inhibition of tPA
50038291	20	ChEMBL_469256 (CHEMBL949938)	Inhibition of Enterobacter cloacae beta lactamase
50038291	21	ChEMBL_469257 (CHEMBL949939)	Inhibition of Serratia marcescens prolyl aminopeptidase
50038291	22	ChEMBL_469259 (CHEMBL949941)	Inhibition of human prolyl endopeptidase
50038291	23	ChEMBL_469278 (CHEMBL949123)	Inhibition of MMP1
50038291	24	ChEMBL_469279 (CHEMBL949124)	Inhibition of MMP2
50038291	25	ChEMBL_469281 (CHEMBL949126)	Inhibition of MMP7
50038291	26	ChEMBL_469284 (CHEMBL949129)	Inhibition of human recombinant FAAH
50038291	27	ChEMBL_469292 (CHEMBL950069)	Inhibition of human aminoimidazole carboxamide transformylase
50038291	28	ChEMBL_469235 (CHEMBL948937)	Inhibition of human factor 7a
50038291	29	ChEMBL_469236 (CHEMBL948936)	Inhibition of human factor 11a
50038292	1	ChEMBL_469306 (CHEMBL931592)	Activity at alpha7 nACh receptor assessed as modulation of acetylcholine-induced response
50038292	2	ChEMBL_469310 (CHEMBL931596)	Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte assessed as increase in acetylcholine-induced current
50038293	1	ChEMBL_469336 (CHEMBL932890)	Inhibition of human DAT
50038293	2	ChEMBL_469335 (CHEMBL932889)	Inhibition of human SERT
50038293	3	ChEMBL_469334 (CHEMBL932888)	Inhibition of human NET
50038294	1	ChEMBL_469337 (CHEMBL932891)	Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells
50038294	2	ChEMBL_469339 (CHEMBL932893)	Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expressed in CHO cells
50038295	1	ChEMBL_469369 (CHEMBL932846)	Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay
50000891	4	ChEBML_1697700	Agonist activity at human A2A-AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 40 mins followed by forskolin addition measured after 30 mins by Alphascreen assay
50000896	5	ChEMBL_1697859 (CHEMBL4048749)	Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction-based colorimetric method
50000896	3	ChEMBL_1697847 (CHEMBL4048737)	Inhibition of ABCG2 in human PLB-985 cells assessed as increase in accumulation of Hoechst 33342 preincubated for 30 mins followed by Hoechst 33342 addition measured every 60 secs for 120 mins by fluorescence assay
50038296	1	ChEMBL_469411 (CHEMBL933018)	Displacement of (+)-[3H]pentazocine from mouse sigma 1 receptor in TRAMP cell membrane
50038297	1	ChEMBL_469432 (CHEMBL946790)	Inhibition of MMP9
50038297	2	ChEMBL_469431 (CHEMBL946789)	Inhibition of MMP3
50038297	3	ChEMBL_469433 (CHEMBL946791)	Inhibition of MMP1
50038297	4	ChEMBL_469430 (CHEMBL946788)	Inhibition of MMP2
50038297	5	ChEMBL_469434 (CHEMBL946792)	Inhibition of MMP13
50038298	1	ChEMBL_469445 (CHEMBL946803)	Binding affinity at FGF1
50038299	1	ChEMBL_469465 (CHEMBL948024)	Displacement of [3H]-citalopram from human SERT expressed in HEK293 cell membrane
50038299	2	ChEMBL_469464 (CHEMBL948023)	Displacement of [3H]WIN-35428 from human DAT expressed in transfected cell membrane
50038300	1	ChEMBL_469481 (CHEMBL948040)	Inhibition of SGK
50038300	2	ChEMBL_469473 (CHEMBL948032)	Inhibition of Akt1
50038300	3	ChEMBL_469475 (CHEMBL948034)	Inhibition of Akt3
50038300	4	ChEMBL_469474 (CHEMBL948033)	Inhibition of Akt2
50038301	1	ChEMBL_469497 (CHEMBL931979)	Displacement of [125I]MCP1 from human CCR2 expressed in human monocytes
50038301	2	ChEMBL_469499 (CHEMBL931981)	Antagonist activity at human CCR2 assessed as inhibition of MCP1-induced monocyte chemotaxis
50038302	1	ChEMBL_469572 (CHEMBL932301)	Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts
50038303	1	ChEMBL_469575 (CHEMBL933022)	Antagonist activity at P2Y12 receptor assessed as platelet aggregation by washed platelet assay
50038304	1	ChEMBL_469577 (CHEMBL934050)	Inhibition of Eimeria tenella cGMP-dependent protein kinase
50038305	1	ChEMBL_469590 (CHEMBL934063)	Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate
50038305	2	ChEMBL_469595 (CHEMBL934068)	Displacement of [3H]nisoxetine from norepinephrine transporter in rat brain homogenate
50038305	3	ChEMBL_469593 (CHEMBL934066)	Displacement of [3H]WIN-35428 from dopamine transporter in rat brain homogenate
50038305	4	ChEMBL_469594 (CHEMBL934067)	Displacement of [3H]paroxetine from serotonin transporter in rat brain homogenate
50038305	5	ChEMBL_469598 (CHEMBL933157)	Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain homogenate
50038306	1	ChEMBL_469631 (CHEMBL934210)	Inhibition of JNK3 by HTRF assay
50038306	2	ChEMBL_469632 (CHEMBL934211)	Inhibition of Erk1 by HTRF assay
50038306	3	ChEMBL_469633 (CHEMBL934212)	Inhibition of CDK5 by HTRF assay
50038306	4	ChEMBL_469634 (CHEMBL934213)	Inhibition of MSK1 by HTRF assay
50038306	5	ChEMBL_469648 (CHEMBL934326)	Inhibition of human T-cell receptor zeta chain phosphorylation in Jurkat cells
50038306	6	ChEMBL_469611 (CHEMBL934190)	Inhibition of KDR by HTRF assay
50038306	7	ChEMBL_469608 (CHEMBL934187)	Inhibition of Lck by HTRF assay
50038306	8	ChEMBL_469609 (CHEMBL934188)	Inhibition of Src by HTRF assay
50038306	9	ChEMBL_469610 (CHEMBL934189)	Inhibition of p38-alpha by HTRF assay
50038306	10	ChEMBL_469617 (CHEMBL934196)	Inhibition of Lyn by HTRF assay
50038306	11	ChEMBL_469619 (CHEMBL934198)	Inhibition of ZAP-70 by HTRF assay
50038306	12	ChEMBL_469620 (CHEMBL934199)	Inhibition of Tyk2 by HTRF assay
50038306	13	ChEMBL_469621 (CHEMBL934200)	Inhibition of JAK3 by HTRF assay
50038306	14	ChEMBL_469623 (CHEMBL934202)	Inhibition of Btk by HTRF assay
50038306	15	ChEMBL_469624 (CHEMBL934203)	Inhibition of c-Met by HTRF assay
50038306	16	ChEMBL_469628 (CHEMBL934207)	Inhibition of c-Kit by HTRF assay
50038306	17	ChEMBL_469630 (CHEMBL934209)	Inhibition of JNK2 by HTRF assay
50038306	18	ChEMBL_469618 (CHEMBL934197)	Inhibition of Syk by HTRF assay
50038306	19	ChEMBL_469622 (CHEMBL934201)	Inhibition of Itk by HTRF assay
50038306	20	ChEMBL_469625 (CHEMBL934204)	Inhibition of Tie-2 by HTRF assay
50038306	21	ChEMBL_469629 (CHEMBL934208)	Inhibition of b-Raf by HTRF assay
50038307	1	ChEMBL_469676 (CHEMBL946804)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50038307	2	ChEMBL_469679 (CHEMBL946807)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038307	3	ChEMBL_469677 (CHEMBL946805)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells
50038307	4	ChEMBL_469678 (CHEMBL946806)	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells
50038308	1	ChEMBL_469765 (CHEMBL945997)	Antagonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method
50038308	2	ChEMBL_469764 (CHEMBL945996)	Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method
50038309	1	ChEMBL_469767 (CHEMBL948043)	Effect on VDR transcriptional activity in human osteosarcoma cells in presence of 5% fetal calf serum
50038309	2	ChEMBL_469766 (CHEMBL948042)	Effect on VDR transcriptional activity in human osteosarcoma cells
50038309	3	ChEMBL_469768 (CHEMBL948044)	Effect on VDR transcriptional activity in human Caco-2 cells in presence of 5% fetal calf serum
50038310	1	ChEMBL_469783 (CHEMBL947049)	Inhibition of corn CK2
50038311	1	ChEMBL_469786 (CHEMBL947052)	Inhibition of cathepsin L
50038312	1	ChEMBL_469795 (CHEMBL932305)	Agonist activity at mouse MC3R expressed in HEK293 cells
50038312	2	ChEMBL_469796 (CHEMBL932306)	Agonist activity at mouse MC4R expressed in HEK293 cells
50038312	3	ChEMBL_469797 (CHEMBL932307)	Agonist activity at mouse MC5R expressed in HEK293 cells
50038312	4	ChEMBL_469813 (CHEMBL932323)	Agonist activity at mouse MC1R expressed in HEK293 cells
50038312	5	ChEMBL_469794 (CHEMBL932304)	Displacement of [125I]NDP-alpha-MSH from MC4R
50038313	1	ChEMBL_469819 (CHEMBL933386)	Binding affinity to truncated iNOS construct (1-490) by spectral assay
50038313	2	ChEMBL_469820 (CHEMBL933387)	Inhibition of full length iNOS by high-throughput oxymyoglobin assay
50038314	1	ChEMBL_469831 (CHEMBL949020)	Inhibition of MK2
50038314	2	ChEMBL_469834 (CHEMBL949019)	Inhibition of Erk2
50038314	3	ChEMBL_469844 (CHEMBL949032)	Inhibition of NIK
50038314	4	ChEMBL_469850 (CHEMBL949038)	Inhibition of MK2-mediated anisomycin-stimulated p38alpha phosphorylation in HeLa cells by flow cytometry
50038314	5	ChEMBL_469851 (CHEMBL949039)	Inhibition of MK2-mediated HSP27 phosphorylation in THP1 cells
50038314	6	ChEMBL_469842 (CHEMBL949031)	Inhibition of CLK1
50038314	7	ChEMBL_469848 (CHEMBL949036)	Inhibition of GSK3-beta
50038315	1	ChEMBL_469872 (CHEMBL949197)	Inhibition of VEGFR2
50038315	2	ChEMBL_469873 (CHEMBL949198)	Inhibition of human CYP3A4
50038315	3	ChEMBL_469878 (CHEMBL950138)	Inhibition of human CYP2D6
50038315	4	ChEMBL_469879 (CHEMBL950139)	Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin substrate
50038315	5	ChEMBL_469880 (CHEMBL950140)	Inhibition of human CYP3A4 using 7-benzyloxyresorufin substrate
50038315	6	ChEMBL_469875 (CHEMBL949200)	Inhibition of human CYP1A2
50038315	7	ChEMBL_469876 (CHEMBL949201)	Inhibition of human CYP2C9
50038315	8	ChEMBL_469877 (CHEMBL949202)	Inhibition of human CYP2C19
50038316	1	ChEMBL_469905 (CHEMBL921229)	Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells
50038317	1	ChEMBL_469914 (CHEMBL921238)	Inhibition of inducible NOS mediated nitric oxide production in LPS-activated Kunming mouse macrophages
50038318	1	ChEMBL_469917 (CHEMBL939264)	Inhibition of Trypanosoma cruzi FPPS
50038318	2	ChEMBL_469918 (CHEMBL939265)	Inhibition of Trypanosoma cruzi SPPS
50038318	3	ChEMBL_469919 (CHEMBL939266)	Inhibition of Toxoplasma gondii FPPS
50038319	1	ChEMBL_469922 (CHEMBL938391)	Inhibition of ovine COX2 by enzyme immunoassay
50038319	2	ChEMBL_469921 (CHEMBL938390)	Inhibition of ovine COX1 by enzyme immunoassay
50038320	1	ChEMBL_469929 (CHEMBL938398)	Agonist activity at human PPARdelta-Gal4 in HEK293 cells by luciferase reporter assay
50038320	2	ChEMBL_469931 (CHEMBL938400)	Agonist activity at human PPARgamma-Gal4 in HEK293 cells by luciferase reporter assay
50038320	3	ChEMBL_469927 (CHEMBL938396)	Agonist activity at human PPARalpha-Gal4 in HEK293 cells by luciferase reporter assay
50038321	1	ChEMBL_470044 (CHEMBL933319)	Inhibition of human p38-alpha kinase
50038321	2	ChEMBL_470045 (CHEMBL933318)	Inhibition of human p38-alpha kinase phosphorylation
50038322	1	ChEMBL_470053 (CHEMBL933431)	Displacement of [125I]MIP1-alpha from human CCR1 receptor expressed in THP1 cells
50038322	2	ChEMBL_470054 (CHEMBL933432)	Antagonist activity at human CCR1 receptor expressed in THP1 cells assessed as human MIP-1-alpha-stimulated intracellular calcium level by FLIPR assay
50038323	1	ChEMBL_470060 (CHEMBL933438)	Displacement of 125I[Tyr4]-bombesin from GRPR expressed in human PC3 cells
50038324	1	ChEMBL_470061 (CHEMBL933439)	Inhibition of human factor 10a
50038325	1	ChEMBL_470070 (CHEMBL933448)	Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay
50038325	2	ChEMBL_470072 (CHEMBL933450)	Inhibition of integrin alpha-5-beta-1-fibronectin interaction
50038326	1	ChEMBL_470090 (CHEMBL933468)	Inhibition of human ERG
50038326	2	ChEMBL_470078 (CHEMBL933456)	Inhibition of human recombinant DPP4 expressed in insect cell
50038326	3	ChEMBL_470079 (CHEMBL933457)	Inhibition of human recombinant QPP expressed in baculovirus system
50038327	1	ChEMBL_470095 (CHEMBL933473)	Inhibition of cloned CaMK2delta
50038327	2	ChEMBL_470097 (CHEMBL934463)	Inhibition of CaMK2delta-mediated vimentin phosphorylation in human HL2 cells after 1 hr by ELISA
50038328	1	ChEMBL_470098 (CHEMBL934464)	Inhibition of CaMK2delta
50038329	1	ChEMBL_470173 (CHEMBL921354)	Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx
50038330	1	ChEMBL_470201 (CHEMBL939125)	Inhibition of human DPP4
50038330	2	ChEMBL_470205 (CHEMBL939129)	Inhibition of human DPP9
50038330	3	ChEMBL_470204 (CHEMBL939128)	Inhibition of human DPP8
50038331	1	ChEMBL_470222 (CHEMBL923682)	Inhibition of human factor 10a
50038331	2	ChEMBL_470229 (CHEMBL935739)	Inhibition of human thrombin after 30 mins
50038331	3	ChEMBL_470232 (CHEMBL935742)	Inhibition of human plasmin after 30 mins
50038331	4	ChEMBL_470233 (CHEMBL935743)	Inhibition of human tPA after 30 mins
50038332	1	ChEMBL_470248 (CHEMBL950203)	Inhibition of CaMK2delta
50038333	1	ChEMBL_470252 (CHEMBL950207)	Inhibition of CaMK2delta using freshly stock solution of compound
50038333	2	ChEMBL_470254 (CHEMBL950209)	Inhibition of CaMK2delta
50038333	3	ChEMBL_470253 (CHEMBL950208)	Inhibition of CaMK2delta using 3 weeks old stock solution of compound
50038334	1	ChEMBL_470255 (CHEMBL950210)	Inhibition of cannabinoid CB1 receptor in Sprague-Dawley rat brain
50038334	2	ChEMBL_470256 (CHEMBL950211)	Displacement of [3H]WIN-55212-2 from human cannabinoid CB2 receptor expressed in CHO cells
50038335	1	ChEMBL_470258 (CHEMBL950213)	Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane
50038335	2	ChEMBL_470259 (CHEMBL950214)	Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR
50038335	3	ChEMBL_470260 (CHEMBL950215)	Displacement of [125I]-CXCL10 from mouse CXCR3 expressed in CHO cell membrane
50038336	1	ChEMBL_470262 (CHEMBL950217)	Inhibition of CSF1R
50038336	2	ChEMBL_470263 (CHEMBL950218)	Inhibition of ATP-induced CSF1R autophosphorylation
50038336	3	ChEMBL_470267 (CHEMBL951153)	Inhibition of FLT3
50038336	4	ChEMBL_470268 (CHEMBL951154)	Inhibition of KIT
50038336	5	ChEMBL_470269 (CHEMBL951155)	Inhibition of PDGFRbeta
50038336	6	ChEMBL_470271 (CHEMBL951157)	Inhibition of TrkA
50038336	7	ChEMBL_470273 (CHEMBL951159)	Inhibition of Src
50038336	8	ChEMBL_470270 (CHEMBL951156)	Inhibition of Axl
50038337	1	ChEMBL_470290 (CHEMBL951176)	Inhibition of human methionine aminopeptidase 1
50038338	1	ChEMBL_470292 (CHEMBL950344)	Inhibition of TIE2
50038338	2	ChEMBL_470295 (CHEMBL950347)	Inhibition of VEGFR2
50038338	3	ChEMBL_470296 (CHEMBL950348)	Inhibition of mouse VEGFR2 autophosphorylation in NIH3T3 cell
50038339	1	ChEMBL_470401 (CHEMBL939288)	Binding affinity to human His-tagged CYP51 expressed in Escherichia coli
50038340	1	ChEMBL_470439 (CHEMBL936594)	Inhibition of human recombinant aldose reductase
50038340	2	ChEMBL_470435 (CHEMBL936590)	Inhibition of mouse recombinant AKR1C21
50038341	1	ChEMBL_470450 (CHEMBL932676)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells
50038341	2	ChEMBL_470452 (CHEMBL932679)	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells
50038341	3	ChEMBL_470456 (CHEMBL932683)	Displacement of [3H]SCH-23390 from rat HA-tagged D1 dopamine receptor expressed in CHO cells
50038341	4	ChEMBL_470454 (CHEMBL932681)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50038343	1	ChEMBL_470460 (CHEMBL951312)	Inhibition of human DPP4
50038343	2	ChEMBL_470461 (CHEMBL951313)	Inhibition of DPP8
50038344	1	ChEMBL_470479 (CHEMBL951323)	Inhibition of Raf1 kinase
50038345	1	ChEMBL_470497 (CHEMBL950043)	Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR in GH4C1 cells
50000891	5	ChEBML_1697706	Agonist activity at human A3AR expressed in FlpIn-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins followed by forskolin addition measured after 30 mins by Alphascreen assay
50000892	1	ChEBML_1697716	Displacement of [3H]SYM2081 from recombinant homomeric rat GluK1 receptor expressed in baculovirus infected Sf9 insect cell membranes
50000892	2	ChEBML_1697717	Displacement of [3H]SYM2081 from recombinant homomeric rat GluK2 receptor expressed in baculovirus infected Sf9 insect cell membranes
50000892	3	ChEBML_1697718	Displacement of [3H]SYM2081 from recombinant homomeric rat GluK3 receptor expressed in baculovirus infected Sf9 insect cell membranes
50000892	4	ChEBML_1697714	Displacement of [3H]AMPA from recombinant homomeric rat GluA2 receptor expressed in baculovirus infected Sf9 insect cell membranes
50000894	1	ChEBML_1697741	Inhibition of human PPAT
50000895	1	ChEBML_1697749	Inhibition of full length GST-tagged recombinant human MNK1 expressed in insect cells using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins followed by ATP addition measured after 40 mins by ADP-Glo assay
50038347	1	ChEMBL_470598 (CHEMBL939420)	Inhibition of human platelet heparanase
50038347	2	ChEMBL_470599 (CHEMBL939421)	Inhibition of human platelet heparanase by competitive binding assay
50038347	3	ChEMBL_470600 (CHEMBL939422)	Inhibition of human platelet heparanase by uncompetitive binding assay
50038348	1	ChEMBL_470713 (CHEMBL934554)	Binding affinity to delta opioid receptor in Sprague-Dawley rat brain membrane
50038348	2	ChEMBL_470717 (CHEMBL934558)	Agonist activity at mu opioid receptor assessed as inhibition of electrically-stimulated Hartely guinea pig contraction
50038348	3	ChEMBL_470712 (CHEMBL934553)	Binding affinity to mu opioid receptor in Sprague-Dawley rat brain membrane
50038348	4	ChEMBL_470715 (CHEMBL934556)	Agonist activity at delta opioid receptor assessed as inhibition of electrically-stimulated mouse vas deferens contraction
50038349	1	ChEMBL_470724 (CHEMBL934564)	Inhibition of human DNA polymerase kappa
50038349	2	ChEMBL_470719 (CHEMBL934559)	Inhibition of rat DNA polymerase beta
50038350	1	ChEMBL_470779 (CHEMBL934981)	Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay
50038350	2	ChEMBL_470781 (CHEMBL934979)	Binding affinity to human CYP51
50038351	1	ChEMBL_470908 (CHEMBL937006)	Inhibition of Syrian hamster HMGR
50038352	1	ChEMBL_470971 (CHEMBL923040)	Inhibition of COX1
50038353	1	ChEMBL_471112 (CHEMBL921265)	Inhibition of rat kidney brush border membrane OCTN2 transporter assessed as [3H]carnitine uptake after 10 mins
50038354	1	ChEMBL_471149 (CHEMBL939034)	Inhibition of JNK3
50038354	2	ChEMBL_471150 (CHEMBL939035)	Inhibition of CK2
50038354	3	ChEMBL_471114 (CHEMBL921267)	Inhibition of human recombinant full length IGF1R expressed in mouse 3T3 cells
50000895	2	ChEBML_1697750	Inhibition of full length N-terminal GST-tagged recombinant human MNK2 expressed in baculovirus expression system using Ac-TATKSGSTTKNR-NH2 as substrate preincubated for 5 mins followed by ATP addition measured after 40 mins by ADP-Glo assay
50038354	4	ChEMBL_471127 (CHEMBL921280)	Inhibition of FYN
50038354	5	ChEMBL_471128 (CHEMBL921281)	Inhibition of FAK
50038354	6	ChEMBL_471129 (CHEMBL921282)	Inhibition of FLT3
50038354	7	ChEMBL_471130 (CHEMBL921283)	Inhibition of KDR at 100 uM
50038354	8	ChEMBL_471131 (CHEMBL921284)	Inhibition of Lck
50038354	9	ChEMBL_471132 (CHEMBL921285)	Inhibition of PDGFRbeta
50038354	10	ChEMBL_471133 (CHEMBL921286)	Inhibition of cRaf
50038354	11	ChEMBL_471134 (CHEMBL921287)	Inhibition of MAPK2
50038354	12	ChEMBL_471135 (CHEMBL921288)	Inhibition of IKK-beta
50038354	13	ChEMBL_471136 (CHEMBL921289)	Inhibition of Rock2
50038354	14	ChEMBL_471138 (CHEMBL921291)	Inhibition of SRC
50038354	15	ChEMBL_471139 (CHEMBL938202)	Inhibition of MEK1
50038354	16	ChEMBL_471140 (CHEMBL938203)	Inhibition of AKT1
50038354	17	ChEMBL_471141 (CHEMBL938204)	Inhibition of PDK1
50000895	3	ChEBML_1697751	Inhibition of MNK1/2 in human HCT116 cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by HTRF assay
50038354	19	ChEMBL_471144 (CHEMBL939029)	Inhibition of P70S6K
50038354	20	ChEMBL_471145 (CHEMBL939030)	Inhibition of AuroraA
50038354	21	ChEMBL_471117 (CHEMBL921270)	Inhibition of CYP3A4
50038354	22	ChEMBL_471118 (CHEMBL921271)	Inhibition of human recombinant full length IGF1R
50038354	23	ChEMBL_471122 (CHEMBL921275)	Inhibition of human purified insulin receptor expressed in HepG2 cells
50038354	24	ChEMBL_471123 (CHEMBL921276)	Inhibition of Abl
50038354	25	ChEMBL_471124 (CHEMBL921277)	Inhibition of EGFR
50038354	26	ChEMBL_471125 (CHEMBL921278)	Inhibition of FES
50038354	27	ChEMBL_471126 (CHEMBL921279)	Inhibition of FGFR3
50038355	1	ChEMBL_471200 (CHEMBL939179)	Displacement of [125I]T3 from human TRalpha receptor
50038355	2	ChEMBL_471201 (CHEMBL939180)	Displacement of [125I]T3 from human TRbeta receptor
50038355	3	ChEMBL_471203 (CHEMBL939182)	Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay
50038355	4	ChEMBL_471204 (CHEMBL939183)	Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay
50038355	5	ChEMBL_471202 (CHEMBL939181)	Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay
50038355	6	ChEMBL_471205 (CHEMBL939184)	Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay
50038356	1	ChEMBL_471251 (CHEMBL922320)	Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane
50038356	2	ChEMBL_471258 (CHEMBL922327)	Inhibition of 5HT1A receptor
50038356	3	ChEMBL_471260 (CHEMBL922329)	Inhibition of human ERG channel
50038356	4	ChEMBL_471259 (CHEMBL922328)	Inhibition of 5HTT receptor
50038357	1	ChEMBL_471525 (CHEMBL938460)	Inhibition of Trypanosoma cruzi cruzain
50038358	1	ChEMBL_471540 (CHEMBL938475)	Inhibition of ZAP
50038358	2	ChEMBL_471541 (CHEMBL938476)	Inhibition of Syk
50038358	3	ChEMBL_471542 (CHEMBL938477)	Inhibition of PKCbeta
50038358	4	ChEMBL_471544 (CHEMBL921779)	Inhibition of KDR
50038358	5	ChEMBL_471526 (CHEMBL938461)	Inhibition of human cSrc
50038358	6	ChEMBL_471527 (CHEMBL938462)	Inhibition of human cSrc in COS7 cells by ELISA
50038358	7	ChEMBL_471539 (CHEMBL938474)	Inhibition of Lck
50038358	8	ChEMBL_471543 (CHEMBL921778)	Inhibition of EGFR
50038359	1	ChEMBL_471591 (CHEMBL940222)	Inhibition of histamine H3 receptor
50038359	2	ChEMBL_471590 (CHEMBL940221)	Inhibition of AChE
50038360	1	ChEMBL_471597 (CHEMBL940228)	Displacement of [3H]naloxone from human mu opioid receptor expressed in CHOK1 cells
50038360	2	ChEMBL_471598 (CHEMBL940229)	Displacement of [3H]C1-977 from human kappa opioid receptor expressed in HEK293 cells
50038361	1	ChEMBL_471725 (CHEMBL920997)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50038361	2	ChEMBL_471738 (CHEMBL921010)	Agonist activity at CB1 receptor
50038361	3	ChEMBL_471727 (CHEMBL920999)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane
50038361	4	ChEMBL_471739 (CHEMBL921011)	Agonist activity at CB2 receptor
50038361	5	ChEMBL_471741 (CHEMBL921013)	Binding affinity to CB2 receptor
50038361	6	ChEMBL_471740 (CHEMBL921012)	Binding affinity to CB1 receptor
50038361	7	ChEMBL_471723 (CHEMBL920995)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells
50038361	8	ChEMBL_471724 (CHEMBL920996)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells
50038362	1	ChEMBL_471743 (CHEMBL921015)	Inhibition of ovine COX2 by enzyme immuno assay
50038362	2	ChEMBL_471742 (CHEMBL921014)	Inhibition of ovine COX1 by enzyme immuno assay
50038363	1	ChEMBL_471764 (CHEMBL921136)	Displacement of [3H]Ro15-1788 from GABAA alpha-1 receptor in Sprague-Dawley rat cerebellar membrane
50038363	2	ChEMBL_471765 (CHEMBL921137)	Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane
50038364	2	ChEMBL_471769 (CHEMBL939982)	Inhibition of Kvbeta-1-mediated inactivation of Kv1.1 channel expressed in xenopus oocytes by voltage clamp assay
50038364	3	ChEMBL_471773 (CHEMBL939978)	Inhibition of Kv1.4 channel inactivation expressed in xenopus oocytes by voltage clamp assay
50038366	1	ChEMBL_471806 (CHEMBL940090)	Inhibition of RNase A by precipitation assay
50038366	2	ChEMBL_471807 (CHEMBL940091)	Activity at RNase A
50038367	1	ChEMBL_471961 (CHEMBL922109)	Binding affinity to Syk tSH2 domain by SPR binding assay
50038368	1	ChEMBL_472006 (CHEMBL922363)	Binding affinity to site 1 of human mature SCP2
50038368	2	ChEMBL_472008 (CHEMBL922365)	Binding affinity to bovine serum albumin
50038368	3	ChEMBL_472007 (CHEMBL922364)	Binding affinity to site 2 of human mature SCP2
50038369	1	ChEMBL_472013 (CHEMBL940096)	Agonist activity at human PRB expressed in CHO cells
50038369	2	ChEMBL_472015 (CHEMBL940098)	Antagonist activity at human PRB expressed in CHO cells assessed as inhibition of Org 2058 induced-transactivation
50038369	3	ChEMBL_472016 (CHEMBL940099)	Antagonist activity at human PRB expressed in CHO cells assessed as inhibition of Org 2058 induced-transactivation relative to Org 31710
50038370	1	ChEMBL_472646 (CHEMBL921962)	Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells
50038370	2	ChEMBL_472647 (CHEMBL921963)	Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells
50038370	3	ChEMBL_472649 (CHEMBL921965)	Agonist activity at human cloned 5HT2C receptor expressed in CHO cells assessed as myo-[3H]inositol hydrolysis
50038370	4	ChEMBL_472651 (CHEMBL921967)	Agonist activity at human cloned 5HT2B receptor expressed in HEK293-EBNA cells assessed as myo-[3H]inositol hydrolysis
50038370	5	ChEMBL_472650 (CHEMBL921966)	Agonist activity at human cloned 5HT2A receptor expressed in CHO cells assessed as myo-[3H]inositol hydrolysis
50038371	1	ChEMBL_472678 (CHEMBL922845)	Inhibition of [3H]5HT uptake in SERT in rat cerebral cortex
50038371	2	ChEMBL_472679 (CHEMBL922846)	Inhibition of [3H]NE uptake in NET in rat cerebral cortex
50038371	3	ChEMBL_472677 (CHEMBL922844)	Inhibition of [3H]dopamine uptake in DAT in rat striatum
50038371	4	ChEMBL_472676 (CHEMBL922843)	Displacement of [3H]WIN-from DAT in rat striatum
50038372	1	ChEMBL_472689 (CHEMBL922856)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells
50038372	2	ChEMBL_472687 (CHEMBL922854)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50038372	3	ChEMBL_472691 (CHEMBL922858)	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells
50038372	4	ChEMBL_472696 (CHEMBL923880)	Activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CPA-induced decrease in forskolin-stimulated cAMP production by TR-FRET assay
50038373	1	ChEMBL_472704 (CHEMBL923888)	Inhibition of rat intestinal maltase
50038373	2	ChEMBL_472705 (CHEMBL923889)	Inhibition of rat isomaltase
50038373	3	ChEMBL_472706 (CHEMBL923890)	Inhibition of rat sucrase
50038373	4	ChEMBL_472699 (CHEMBL923883)	Inhibition of amylo-1,6-glucosidase
50038374	1	ChEMBL_472906 (CHEMBL922120)	Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells
50038374	2	ChEMBL_472907 (CHEMBL922121)	Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells
50038375	1	ChEMBL_472926 (CHEMBL921169)	Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells
50038375	2	ChEMBL_472921 (CHEMBL921164)	Inhibition of HDAC1 in rat liver extract
50038375	3	ChEMBL_472925 (CHEMBL921168)	Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells
50038375	4	ChEMBL_472923 (CHEMBL921166)	Inhibition of HDAC1 in rat liver extract by trypsin assay
50038376	1	ChEMBL_472951 (CHEMBL949258)	Agonist activity at human FXR expressed in COS1 cells by luciferase assay
50038376	2	ChEMBL_472949 (CHEMBL949256)	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay
50038377	1	ChEMBL_473074 (CHEMBL921732)	Inhibition of ovine COX1 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid
50038377	2	ChEMBL_473075 (CHEMBL921787)	Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid
50038377	3	ChEMBL_473076 (CHEMBL921788)	Inhibition of human COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid
50038377	4	ChEMBL_473090 (CHEMBL921801)	Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid
50038377	5	ChEMBL_473092 (CHEMBL921803)	Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid
50038377	6	ChEMBL_473083 (CHEMBL921795)	Inhibition of human COX2 mediated PGE2 production in IL-1-beta-induced human dermal fibroblast cells
50038377	7	ChEMBL_473084 (CHEMBL921796)	Inhibition of human COX2 mediated PGE2 production in human whole blood
50038377	8	ChEMBL_473081 (CHEMBL921793)	Inhibition of mouse COX2 for 20 mins pre-incubated before addition of [1-14C]arachidonic acid
50038377	9	ChEMBL_473089 (CHEMBL921731)	Inhibition of mouse COX2 pre-incubated before addition of [1-14C]arachidonic acid
50038377	10	ChEMBL_473082 (CHEMBL921794)	Inhibition of human COX2 for 20 mins pre-incubated before addition of [1-14C]arachidonic acid
50038378	1	ChEMBL_473188 (CHEMBL921298)	Inhibition of PP1gamma by firefly bioluminescence assay
50038379	1	ChEMBL_473235 (CHEMBL932926)	Inhibition of VEGFR2
50038379	2	ChEMBL_473234 (CHEMBL932925)	Inhibition of Src
50038379	3	ChEMBL_473236 (CHEMBL932927)	Inhibition of YES
50038380	1	ChEMBL_473537 (CHEMBL939091)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50038380	2	ChEMBL_473538 (CHEMBL939092)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells
50038380	3	ChEMBL_473539 (CHEMBL939093)	Displacement of [3H]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells
50038380	4	ChEMBL_473540 (CHEMBL939194)	Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells
50038380	5	ChEMBL_473541 (CHEMBL939195)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP levels
50038381	1	ChEMBL_473778 (CHEMBL939212)	Inhibition of Syk
50038381	2	ChEMBL_473670 (CHEMBL921713)	Inhibition of DNA-PK
50038381	4	ChEMBL_473776 (CHEMBL937044)	Inhibition of ATR
50038381	5	ChEMBL_473680 (CHEMBL936779)	Inhibition of PI3K
50038381	6	ChEMBL_473690 (CHEMBL936789)	Inhibition of Cdk6/cyclin D3
50038381	8	ChEMBL_473850 (CHEMBL937171)	Inhibition of Her1
50038381	10	ChEMBL_473652 (CHEMBL937670)	Inhibition of FGFR1
50038381	11	ChEMBL_473781 (CHEMBL937047)	Inhibition of cSrc
50038381	13	ChEMBL_473784 (CHEMBL937050)	Inhibition of wheat embryo CDPK
50038381	14	ChEMBL_473783 (CHEMBL937049)	Inhibition of p72 Syk
50038381	19	ChEMBL_473801 (CHEMBL937065)	Inhibition of JAK2
50038381	20	ChEMBL_473802 (CHEMBL937066)	Inhibition of JAK3
50038381	21	ChEMBL_473786 (CHEMBL937052)	Inhibition of Tyk2
50038381	22	ChEMBL_473669 (CHEMBL921712)	Inhibition of PKCepsilon
50038381	23	ChEMBL_473789 (CHEMBL937055)	Inhibition of ZAP70
50038381	24	ChEMBL_473790 (CHEMBL937056)	Inhibition of Itk
50038381	25	ChEMBL_473792 (CHEMBL939208)	Inhibition of phospholipase A2
50038381	27	ChEMBL_473796 (CHEMBL937061)	Inhibition of IGF1R-dependent tumor cell growth in human MCNeuA cells
50038381	28	ChEMBL_473754 (CHEMBL936949)	Inhibition of p110-beta PI kinase
50038381	29	ChEMBL_473687 (CHEMBL936786)	Inhibition of Cdk7/H/MAT1
50038381	30	ChEMBL_473605 (CHEMBL939373)	Inhibition of AKT
50038381	31	ChEMBL_473696 (CHEMBL936795)	Inhibition of EphB3
50038381	33	ChEMBL_473592 (CHEMBL939357)	Inhibition of p38alpha
50038381	34	ChEMBL_473701 (CHEMBL939211)	Inhibition of p38-beta MAP kinase
50038381	35	ChEMBL_473628 (CHEMBL937644)	Inhibition of Lck
50038381	38	ChEMBL_473835 (CHEMBL936915)	Inhibition of CK2
50000895	4	ChEBML_1697811	Inhibition of CLK4 (unknown origin)
50038381	41	ChEMBL_473713 (CHEMBL939369)	Inhibition of p38-gamma MAP kinase
50038381	42	ChEMBL_473712 (CHEMBL939370)	Inhibition of p38delta MAP kinase
50038381	43	ChEMBL_473715 (CHEMBL936812)	Inhibition of AP1 activity
50038381	44	ChEMBL_473720 (CHEMBL936817)	Inhibition of MKK4
50038381	45	ChEMBL_473671 (CHEMBL921714)	Inhibition of Aurora kinase A
50038381	51	ChEMBL_473616 (CHEMBL940169)	Inhibition of casein kinase 1
50038381	52	ChEMBL_473875 (CHEMBL937185)	Binding affinity to GSK3alpha
50038381	53	ChEMBL_473586 (CHEMBL939351)	Inhibition of myosin light chain kinase
50038381	54	ChEMBL_473825 (CHEMBL936934)	Inhibition of Hck
50038381	56	ChEMBL_473631 (CHEMBL937647)	Inhibition of Cdk2
50038381	57	ChEMBL_473597 (CHEMBL939362)	Inhibition of c-kit
50038381	58	ChEMBL_473598 (CHEMBL939363)	Inhibition of wild type FLT3
50038381	61	ChEMBL_473548 (CHEMBL939216)	Inhibition of PIM1 expressed in Escherichia coli by thermal shift assay
50038381	62	ChEMBL_473549 (CHEMBL939217)	Inhibition of PIM2 expressed in Escherichia coli by thermal shift assay
50038381	63	ChEMBL_473572 (CHEMBL939337)	Inhibition of wild type EGFR
50038381	67	ChEMBL_473872 (CHEMBL937184)	Inhibition of p56lck
50038381	68	ChEMBL_473620 (CHEMBL940173)	Inhibition of CK1delta
50038381	69	ChEMBL_473621 (CHEMBL937637)	Inhibition of CK1epsilon
50038381	70	ChEMBL_473622 (CHEMBL937638)	Inhibition of CK1a1
50038381	71	ChEMBL_473624 (CHEMBL937640)	Inhibition of p55fyn
50038381	73	ChEMBL_473625 (CHEMBL937641)	Inhibition of PDGFRalpha
50038381	74	ChEMBL_473626 (CHEMBL937642)	Inhibition of cAbl
50038381	75	ChEMBL_473629 (CHEMBL937645)	Inhibition of Fyn
50038381	76	ChEMBL_473632 (CHEMBL937648)	Inhibition of Cdk4
50038381	77	ChEMBL_473634 (CHEMBL937651)	Inhibition of bFGFR1
50038381	78	ChEMBL_473654 (CHEMBL937672)	Inhibition of human EGFR at 10000 nM
50038381	79	ChEMBL_473649 (CHEMBL937667)	Inhibition of PDGF
50038381	80	ChEMBL_473651 (CHEMBL937669)	Inhibition of bPDGFR in human PAC1 cells
50038381	81	ChEMBL_473656 (CHEMBL937674)	Inhibition of cRAF1
50038381	82	ChEMBL_473668 (CHEMBL921711)	Inhibition of PKCbeta
50038381	84	ChEMBL_473596 (CHEMBL939361)	Inhibition of PKCgamma
50038381	85	ChEMBL_473866 (CHEMBL939203)	Inhibition of adenosine kinase
50038381	89	ChEMBL_473844 (CHEMBL921092)	Inhibition of MKK1
50038381	90	ChEMBL_473849 (CHEMBL937170)	Inhibition of ErbB1
50038381	92	ChEMBL_473730 (CHEMBL936922)	Inhibition of Met kinase
50038381	93	ChEMBL_473739 (CHEMBL936825)	Inhibition of Yes kinase
50038381	94	ChEMBL_473740 (CHEMBL936935)	Inhibition of Lyn kinase
50038381	96	ChEMBL_473749 (CHEMBL936946)	Inhibition of mouse Clk4
50038381	97	ChEMBL_473751 (CHEMBL936944)	Inhibition of mouse Clk2
50038381	98	ChEMBL_473752 (CHEMBL936945)	Inhibition of mouse Clk3
50038381	99	ChEMBL_473755 (CHEMBL936950)	Inhibition of p110gamma PI kinase
50038381	100	ChEMBL_473753 (CHEMBL936948)	Inhibition of p110-alpha PI kinase
50000895	5	ChEBML_1697810	Inhibition of DRAK1 (unknown origin)
50038381	103	ChEMBL_473675 (CHEMBL921717)	Inhibition of human VEGFR2 in HUVEC cells
50038381	104	ChEMBL_473617 (CHEMBL940170)	Inhibition of ROCK2
50038381	105	ChEMBL_473571 (CHEMBL939336)	Inhibition of cFMS
50038381	106	ChEMBL_473787 (CHEMBL937053)	Inhibition of IKK-beta
50038381	107	ChEMBL_473857 (CHEMBL937179)	Inhibition of 5LOX
50038381	108	ChEMBL_473858 (CHEMBL937180)	Inhibition of cyclooxygenase
50038381	109	ChEMBL_473859 (CHEMBL937658)	Inhibition of nitric oxide synthase in activated macrophages in human A431 cells
50038381	110	ChEMBL_473860 (CHEMBL937181)	Inhibition of ALK5
50038381	111	ChEMBL_473603 (CHEMBL939368)	Inhibition of Abl
50038381	112	ChEMBL_473839 (CHEMBL921087)	Inhibition of Cdk7/cyclin H
50038381	113	ChEMBL_473841 (CHEMBL921089)	Inhibition of Bmx
50038381	114	ChEMBL_473840 (CHEMBL921088)	Inhibition of IGF1R
50038381	115	ChEMBL_473639 (CHEMBL937656)	Inhibition of GSK3alpha
50038381	118	ChEMBL_473871 (CHEMBL939204)	Inhibition of Schizosaccharomyces pombe CK1
50038381	119	ChEMBL_473555 (CHEMBL939225)	Inhibition of p56lck autophosphorylation
50038381	120	ChEMBL_473590 (CHEMBL939355)	Binding affinity to ERK1
50038381	121	ChEMBL_473773 (CHEMBL937041)	Inhibition of PDK1
50000896	2	ChEMBL_1697846 (CHEMBL4048736)	Inhibition of human ABCG2 expressed in MDCK2 cells assessed as increase in accumulation of Hoechst 33342 preincubated for 30 mins followed by Hoechst 33342 addition measured every 60 secs for 120 mins by fluorescence assay
50000896	1	ChEBML_1697859	Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction-based colorimetric method
50038381	124	ChEMBL_473677 (CHEMBL921720)	Inhibition of recombinant BTK
50038381	125	ChEMBL_473679 (CHEMBL936778)	Inhibition of Plk3
50038381	126	ChEMBL_473694 (CHEMBL936793)	Inhibition of PKCdelta
50038381	127	ChEMBL_473763 (CHEMBL920951)	Inhibition of Raf1
50038381	128	ChEMBL_473764 (CHEMBL920952)	Inhibition of Tpl2 kinase
50038381	129	ChEMBL_473765 (CHEMBL920953)	Inhibition of MK2
50038381	130	ChEMBL_473664 (CHEMBL921707)	Inhibition of VEGFR2
50038381	132	ChEMBL_473812 (CHEMBL937076)	Inhibition of eEF2 kinase
50038381	133	ChEMBL_473819 (CHEMBL921079)	Inhibition of p160ROCK
50038381	134	ChEMBL_473816 (CHEMBL921076)	Inhibition of EGFR autophosphorylation
50038381	135	ChEMBL_473788 (CHEMBL937054)	Inhibition of IKK1
50038381	136	ChEMBL_473820 (CHEMBL921080)	Inhibition of SAPK2a/p38-alpha
50038381	137	ChEMBL_473821 (CHEMBL921081)	Inhibition of SAPK2b/p38beta
50038381	138	ChEMBL_473771 (CHEMBL920959)	Inhibition of Tie2
50038381	140	ChEMBL_473575 (CHEMBL939340)	Inhibition of erbB4/Her4
50038381	141	ChEMBL_473580 (CHEMBL939345)	Inhibition of topoisomerase 2
50038381	142	ChEMBL_473595 (CHEMBL939360)	Inhibition of PKCbeta
50038381	143	ChEMBL_473633 (CHEMBL937649)	Inhibition of Cdk7
50038381	144	ChEMBL_473868 (CHEMBL936823)	Inhibition of EGF
50038381	145	ChEMBL_473648 (CHEMBL937666)	Inhibition of mouse KDR
50000896	4	ChEMBL_1697856 (CHEMBL4048746)	Inhibition of human ABCG2 expressed in MDCK2 cells assessed as potentiation of irinotecan-induced decrease in cell viability after 72 hrs by MTT assay
50038381	147	ChEMBL_473817 (CHEMBL921077)	Inhibition of MKK3
50038381	148	ChEMBL_473770 (CHEMBL920958)	Inhibition of Myt1
50038381	149	ChEMBL_473785 (CHEMBL937051)	Inhibition of mouse JAK1
50038381	150	ChEMBL_473803 (CHEMBL937067)	Inhibition of Btk
50038381	152	ChEMBL_473756 (CHEMBL936951)	Inhibition of PIK3C2B kinase
50038381	153	ChEMBL_473688 (CHEMBL936787)	Inhibition of Cdk9
50038381	154	ChEMBL_473643 (CHEMBL937661)	Agonist activity at human aryl hydrocarbon receptor
50038381	155	ChEMBL_473856 (CHEMBL937177)	Inhibition of PKCzeta
50038381	156	ChEMBL_473833 (CHEMBL939223)	Activity at human wild type CFTR expressed in F508del-CF1 cells assessed as forskolin stimulated iodide flux
50038382	1	ChEMBL_473898 (CHEMBL950174)	Inhibition of KDR by HTRF assay
50038382	2	ChEMBL_473901 (CHEMBL950177)	Inhibition of Tie2
50038382	3	ChEMBL_473902 (CHEMBL950178)	Inhibition of c-Met
50038382	4	ChEMBL_473903 (CHEMBL950179)	Inhibition of Lck
50038383	2	ChEMBL_473939 (CHEMBL950319)	Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50038383	5	ChEMBL_473938 (CHEMBL950318)	Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane
50038383	6	ChEMBL_473942 (CHEMBL950322)	Agonist activity at mu opioid receptor in Hartley guinea pig assessed as inhibition of electrically evoked-contraction
50038383	7	ChEMBL_473941 (CHEMBL950321)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked-contraction
50038384	1	ChEMBL_473950 (CHEMBL950331)	Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells
50038384	2	ChEMBL_473951 (CHEMBL950332)	Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells
50038384	3	ChEMBL_473952 (CHEMBL950333)	Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells
50038384	4	ChEMBL_473957 (CHEMBL950337)	Displacement of [3H]dofetilide from human ERG channel
50038384	5	ChEMBL_473959 (CHEMBL950339)	Inhibition of CYP2D6
50038384	6	ChEMBL_473969 (CHEMBL933950)	Inhibition of CYP1A2
50038384	7	ChEMBL_473970 (CHEMBL933951)	Inhibition of CYP3A4
50038385	1	ChEMBL_473976 (CHEMBL933957)	Displacement of [125I]MCP1 from human CCR2b in THP1 cells
50038385	2	ChEMBL_473977 (CHEMBL933958)	Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis
50038385	3	ChEMBL_473981 (CHEMBL933962)	Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced calcium flux
50038385	4	ChEMBL_473979 (CHEMBL933960)	Displacement of [125I]MCP1-alpha from human CCR1 in THP cells
50038385	5	ChEMBL_473978 (CHEMBL933959)	Displacement of [125I]MCP1 from human CCR2b in HEK293 cells
50038386	1	ChEMBL_474154 (CHEMBL938412)	Inhibition of Herpes simplex virus 1 recombinant thymidine kinase
50038386	2	ChEMBL_474155 (CHEMBL938413)	Inhibition of Herpes simplex virus 2 recombinant thymidine kinase
50038386	3	ChEMBL_474153 (CHEMBL938411)	Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation
50038387	1	ChEMBL_474165 (CHEMBL938423)	Inhibition of Saccharomyces cerevisiae GGPPS
50038387	2	ChEMBL_474167 (CHEMBL938425)	Inhibition of human GGPPS
50038387	3	ChEMBL_474168 (CHEMBL938426)	Binding affinity to human GGPPS
50038387	4	ChEMBL_474166 (CHEMBL938424)	Binding affinity to Saccharomyces cerevisiae GGPPS
50038388	1	ChEMBL_474184 (CHEMBL939309)	Inhibition of Staphylococcus aureus sortase A
50038389	1	ChEMBL_474223 (CHEMBL939100)	Inhibition of human neutrophil elastase
50038390	2	ChEMBL_474243 (CHEMBL934092)	Inhibition of Bacillus anthracis lethal factor by FRET assay
50038391	1	ChEMBL_474271 (CHEMBL935076)	Inhibition of p38-alpha by whole blood assay
50038391	2	ChEMBL_474267 (CHEMBL935072)	Inhibition of p38alpha
50038392	1	ChEMBL_474299 (CHEMBL936078)	Inhibition of Escherichia coli beta-lactamase SCO1
50038392	2	ChEMBL_474301 (CHEMBL937013)	Inhibition of Escherichia coli K12 TEM1
50038393	1	ChEMBL_474366 (CHEMBL921914)	Agonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay
50038393	2	ChEMBL_474363 (CHEMBL921911)	Displacement of [3H]1,25-(OH)2D3 from rat recombinant His-tagged VDR ligand-binding domain expressed in Escherichia coli BL21
50038393	3	ChEMBL_474364 (CHEMBL921912)	Agonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay
50038393	4	ChEMBL_474365 (CHEMBL921913)	Antagonist activity at human VDR in COS7 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay
50038393	5	ChEMBL_474367 (CHEMBL921915)	Antagonist activity at human VDR in HEK293 cells assessed as induction of transcriptional transactivation after 24 hrs by mouse osteopontin luciferase reporter gene assay
50038394	1	ChEMBL_474395 (CHEMBL939118)	Inhibition of Pgp by daunorubicin accumulation assay
50038394	2	ChEMBL_474396 (CHEMBL939121)	Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay
50038395	1	ChEMBL_474407 (CHEMBL939399)	Inhibition of human recombinant DDAH1 expressed in Escherichia coli BL21 cells
50038395	2	ChEMBL_474403 (CHEMBL938288)	Inhibition of human recombinant eNOS by griess assay
50038395	3	ChEMBL_474405 (CHEMBL938290)	Inhibition of human recombinant nNOS by griess assay
50038395	4	ChEMBL_474404 (CHEMBL938289)	Inhibition of human recombinant iNOS by griess assay
50038395	5	ChEMBL_474406 (CHEMBL938291)	Inhibition of bovine liver arginase
50038396	1	ChEMBL_474423 (CHEMBL934256)	Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay
50038396	2	ChEMBL_474422 (CHEMBL934255)	Antagonist activity at human PR expressed in human T47D cells assessed as inhibition of progesterone induced alkaline phosphatase
50038396	3	ChEMBL_474421 (CHEMBL934254)	Agonist activity at human PR expressed in human T47D cells assessed as stimulation of alkaline phosphatase
50038396	4	ChEMBL_474428 (CHEMBL934261)	Antagonist activity at human AR ligand binding domain expressed in african green monkey COS7 cells in presence of 5-alpha-dihydrotestosterone by Gal4 hybrid assay
50038396	5	ChEMBL_474430 (CHEMBL935181)	Antagonist activity at human GR ligand binding domain expressed in african green monkey COS7 cells in presence of Dexamethasone by Gal4 hybrid assay
50038396	6	ChEMBL_474432 (CHEMBL935183)	Antagonist activity at human MR ligand binding domain expressed in african green monkey COS7 cells in presence of aldosterone by Gal4 hybrid assay
50038396	7	ChEMBL_474434 (CHEMBL935185)	Antagonist activity at human ER ligand binding domain expressed in african green monkey COS7 cells in presence of 17-beta-estradiol by Gal4 hybrid assay
50038397	1	ChEMBL_474592 (CHEMBL952868)	Inhibition of human recombinant squalene synthase
50038398	1	ChEMBL_474597 (CHEMBL922066)	Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria
50038399	1	ChEMBL_474602 (CHEMBL921108)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane
50038399	2	ChEMBL_474603 (CHEMBL921109)	Displacement of [3H]CP-55940 from human cloned CB2 receptor
50038399	3	ChEMBL_474605 (CHEMBL921111)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50038400	1	ChEMBL_474609 (CHEMBL921115)	Inhibition of GnRH receptor
50038402	1	ChEMBL_474628 (CHEMBL936729)	Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells
50038402	2	ChEMBL_474629 (CHEMBL936730)	Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells
50038402	3	ChEMBL_474630 (CHEMBL936731)	Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells
50038403	1	ChEMBL_474639 (CHEMBL921838)	Displacement of [3H]LSD from human recombinant 5HT7 receptor
50038403	2	ChEMBL_474640 (CHEMBL921839)	Binding affinity at 5HT1A receptor
50038403	3	ChEMBL_474642 (CHEMBL920900)	Binding affinity at 5HT2A receptor
50038403	4	ChEMBL_474644 (CHEMBL920902)	Binding affinity at 5HT2C receptor
50038403	5	ChEMBL_474646 (CHEMBL920904)	Binding affinity at dopamine D2 receptor
50038404	1	ChEMBL_474788 (CHEMBL951281)	Inhibition of Tie2
50038404	2	ChEMBL_474789 (CHEMBL951282)	Inhibition of c-Met
50038404	3	ChEMBL_474787 (CHEMBL951280)	Inhibition of KDR
50038404	4	ChEMBL_474790 (CHEMBL951283)	Inhibition of Lck
50038404	5	ChEMBL_474791 (CHEMBL951284)	Inhibition of Aurora A
50038404	7	ChEMBL_474821 (CHEMBL950238)	Inhibition of Abl
50038404	8	ChEMBL_474822 (CHEMBL950239)	Inhibition of FGR
50038404	9	ChEMBL_474823 (CHEMBL950240)	Inhibition of Lyn
50038404	10	ChEMBL_474815 (CHEMBL950232)	Inhibition of human VEGFR1
50038405	1	ChEMBL_474877 (CHEMBL932840)	Inhibition of CYP3A4
50038405	2	ChEMBL_474878 (CHEMBL932841)	Inhibition of CYP2D6
50038405	3	ChEMBL_474928 (CHEMBL933001)	Inhibition of FGFR2
50038405	4	ChEMBL_474871 (CHEMBL932834)	Inhibition of KDR by HTRF assay
50038405	5	ChEMBL_474926 (CHEMBL932999)	Inhibition of c-FMS
50038405	6	ChEMBL_474929 (CHEMBL933002)	Inhibition of Lck
50038405	8	ChEMBL_474938 (CHEMBL934132)	Inhibition of VEGFR3
50038405	9	ChEMBL_474964 (CHEMBL933144)	Inhibition of VEGFR1
50038406	1	ChEMBL_475026 (CHEMBL931462)	Inhibition of Pim2 kinase
50038407	1	ChEMBL_475102 (CHEMBL936300)	Antagonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique
50038407	2	ChEMBL_475101 (CHEMBL936299)	Agonist activity at nAChR in Heliothis virescens neuronal cells by voltage clamp technique
50038408	2	ChEMBL_475135 (CHEMBL932657)	Inhibition of CYP2C19
50038408	3	ChEMBL_475136 (CHEMBL932658)	Inhibition of CYP3A4
50038408	4	ChEMBL_475138 (CHEMBL932660)	Inhibition of CYP2C9
50038408	5	ChEMBL_475139 (CHEMBL932661)	Inhibition of CYP2D6
50038408	6	ChEMBL_475150 (CHEMBL933731)	Inhibition of p70S6K by radiometric filter binding assay
50038408	8	ChEMBL_475113 (CHEMBL932635)	Inhibition of PKBbeta recombinant by radiometric filter binding assay
50038408	9	ChEMBL_475116 (CHEMBL932638)	Inhibition of GSK3-beta in human PC3M cells by ELISA
50038408	10	ChEMBL_475133 (CHEMBL932655)	Inhibition of CYP1A2
50038408	11	ChEMBL_475137 (CHEMBL932659)	Inhibition of CYP2E1
50000897	10	ChEMBL_1697911 (CHEMBL4048801)	Displacement of [125I]-NDP-MSH from human MC1R expressed in HEK293 cells
50000897	11	ChEMBL_1697901 (CHEMBL4048791)	Agonist activity at human MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	1	ChEMBL_1697913 (CHEMBL4048803)	Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method
50000897	2	ChEBML_1697897	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	3	ChEBML_1697898	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	4	ChEBML_1697899	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	5	ChEBML_1697900	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	6	ChEBML_1697913	Displacement of Eu-NDP-MSH from human MC1R expressed in HEK293T cells after 2 hrs by DELFIA method
50000899	11	ChEMBL_1697940 (CHEMBL4048830)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged recombinant human NCOR2 (395 to 489 residues) expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate after 60 mins by fluorimeter
50000897	7	ChEBML_1697902	Agonist activity at human MC3R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50000897	8	ChEBML_1697903	Agonist activity at human MC4R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50038410	1	ChEMBL_475207 (CHEMBL921935)	Inhibition of human JNK1 by radiometric assay
50038410	2	ChEMBL_475208 (CHEMBL921936)	Inhibition of JNK1 in rat H9c2 cells assessed as inhibition of anisomycin-induced cJun phosphorylation after 30 mins
50038410	3	ChEMBL_475220 (CHEMBL921948)	Inhibition of JNK2
50038410	4	ChEMBL_475221 (CHEMBL921949)	Inhibition of JNK3
50038411	1	ChEMBL_475324 (CHEMBL924551)	Inhibition of Helicobacter pylori glutamate racemase
50038411	2	ChEMBL_475325 (CHEMBL924552)	Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay
50038411	3	ChEMBL_475328 (CHEMBL924555)	Inhibition of MurI in Streptococcus pneumoniae
50038411	4	ChEMBL_475326 (CHEMBL924553)	Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry
50038412	1	ChEMBL_475421 (CHEMBL932507)	Binding affinity to human VDAC2
50038413	1	ChEMBL_475539 (CHEMBL925748)	Inhibition of Aspergillus nidulans RmtA
50000897	9	ChEBML_1697904	Agonist activity at human MC5R expressed in HEK293 cells assessed as increase in cAMP production incubated for 2 hrs by AlphaScreen assay
50038415	1	ChEMBL_475608 (CHEMBL923241)	Inhibition of human recombinant topoisomerase 2 by decatenation assay
50038416	1	ChEMBL_475609 (CHEMBL923242)	Inhibition of human platelet cPLA2-alpha activity
50038416	2	ChEMBL_475613 (CHEMBL923246)	Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins
50038417	1	ChEMBL_475650 (CHEMBL940777)	Inhibition of mushroom tyrosinase
50038418	1	ChEMBL_475671 (CHEMBL937557)	Displacement of [3H]mibolerone from rat androgen receptor
50038418	2	ChEMBL_475674 (CHEMBL937560)	Inhibition of wild type androgen receptor expressed in CV1 cells assessed as dihydrotestosterone-stimulated transactivation by CAT reporter gene assay
50038419	1	ChEMBL_475714 (CHEMBL934600)	Inhibition of iNOS
50038419	2	ChEMBL_475715 (CHEMBL934601)	Inhibition of aromatase
50038419	3	ChEMBL_475716 (CHEMBL934602)	Inhibition of estrogen receptor beta
50038420	1	ChEMBL_475736 (CHEMBL922525)	Inhibition of Akt
50038420	2	ChEMBL_475740 (CHEMBL922529)	Inhibition of Raf
50038420	3	ChEMBL_475747 (CHEMBL922536)	Inhibition of FGFR1
50038420	5	ChEMBL_475731 (CHEMBL922520)	Inhibition of CYP2C19
50038420	6	ChEMBL_475761 (CHEMBL930277)	Inhibition of p38-gamma
50038420	7	ChEMBL_475735 (CHEMBL922524)	Inhibition of KDR
50038420	8	ChEMBL_475738 (CHEMBL922527)	Inhibition of Cdk2
50038420	9	ChEMBL_475739 (CHEMBL922528)	Inhibition of Itk
50038420	10	ChEMBL_475744 (CHEMBL922533)	Inhibition of IGF1R
50038420	11	ChEMBL_475745 (CHEMBL922534)	Inhibition of Jak3
50038420	12	ChEMBL_475746 (CHEMBL922535)	Inhibition of Lck
50038420	13	ChEMBL_475748 (CHEMBL922537)	Inhibition of SYK
50038420	14	ChEMBL_475749 (CHEMBL922538)	Inhibition of MK2
50038420	16	ChEMBL_475753 (CHEMBL922542)	Inhibition of PKCdelta
50038420	17	ChEMBL_475755 (CHEMBL922544)	Inhibition of PKCiota
50038420	18	ChEMBL_475732 (CHEMBL922522)	Inhibition of CYP2D6
50038420	19	ChEMBL_475733 (CHEMBL922521)	Inhibition of CYP3A4
50038420	20	ChEMBL_475734 (CHEMBL922523)	Inhibition of p38beta
50038420	21	ChEMBL_475725 (CHEMBL934611)	Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation
50038420	22	ChEMBL_475762 (CHEMBL930278)	Inhibition of p38delta
50038420	23	ChEMBL_475730 (CHEMBL922519)	Inhibition of CYP2C9
50038420	24	ChEMBL_475729 (CHEMBL922518)	Inhibition of CYP1A2
50038421	1	ChEMBL_475764 (CHEMBL930280)	Activity at human TRPV1 in HEK cells assessed by measuring capsaicin-induced calcium level by FLIPR technology
50038421	2	ChEMBL_475763 (CHEMBL930279)	Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cells
50038422	1	ChEMBL_475784 (CHEMBL935609)	Inhibition of human full length carbonic anhydrase 1 by stopped flow CO2 hydrase assay
50038422	2	ChEMBL_475785 (CHEMBL935610)	Inhibition of human full length carbonic anhydrase 2 by stopped flow CO2 hydrase assay
50038422	3	ChEMBL_475786 (CHEMBL935611)	Inhibition of human full length carbonic anhydrase 3 by stopped flow CO2 hydrase assay
50038422	4	ChEMBL_475788 (CHEMBL935613)	Inhibition of human full length carbonic anhydrase 5A by stopped flow CO2 hydrase assay
50038422	5	ChEMBL_475789 (CHEMBL935614)	Inhibition of human full length carbonic anhydrase 5B by stopped flow CO2 hydrase assay
50038422	6	ChEMBL_475790 (CHEMBL935615)	Inhibition of human full length carbonic anhydrase 6 by stopped flow CO2 hydrase assay
50038422	7	ChEMBL_475791 (CHEMBL935616)	Inhibition of human full length carbonic anhydrase 7 by stopped flow CO2 hydrase assay
50038422	8	ChEMBL_475792 (CHEMBL935617)	Inhibition of human catalytic domain carbonic anhydrase 9 by stopped flow CO2 hydrase assay
50038422	9	ChEMBL_475793 (CHEMBL935618)	Inhibition of human catalytic domain carbonic anhydrase 12 by stopped flow CO2 hydrase assay
50038422	10	ChEMBL_475795 (CHEMBL935620)	Inhibition of human full length carbonic anhydrase 14 by stopped flow CO2 hydrase assay
50038422	11	ChEMBL_475787 (CHEMBL935612)	Inhibition of human full length carbonic anhydrase 4 by stopped flow CO2 hydrase assay
50038422	12	ChEMBL_475794 (CHEMBL935619)	Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay
50038423	1	ChEMBL_475833 (CHEMBL940137)	Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins
50038424	1	ChEMBL_475967 (CHEMBL935622)	Binding affinity to human recombinant TP receptor by radioligand competition binding assay
50038424	2	ChEMBL_475975 (CHEMBL931429)	Binding affinity to FP receptor
50038424	3	ChEMBL_475971 (CHEMBL931425)	Binding affinity to EP1 receptor
50038424	4	ChEMBL_475976 (CHEMBL931430)	Binding affinity to IP receptor
50038424	5	ChEMBL_475970 (CHEMBL931424)	Binding affinity to CRTH2 receptor
50038424	6	ChEMBL_475972 (CHEMBL931426)	Binding affinity to EP2 receptor
50038424	7	ChEMBL_475973 (CHEMBL931427)	Binding affinity to EP3 receptor
50038424	8	ChEMBL_475974 (CHEMBL931428)	Binding affinity to EP4 receptor
50038425	1	ChEMBL_476014 (CHEMBL927094)	Inhibition of 5HT1A receptor in rat frontal cortex membrane
50038425	2	ChEMBL_476015 (CHEMBL927095)	Inhibition of 5HT2A receptor
50038425	3	ChEMBL_476016 (CHEMBL927096)	Inhibition of 5HT2C receptor
50038425	4	ChEMBL_476017 (CHEMBL927097)	Inhibition of 5HT6 receptor
50038425	5	ChEMBL_476018 (CHEMBL927098)	Inhibition of adrenergic alpha-1 receptor
50038425	6	ChEMBL_476019 (CHEMBL927099)	Inhibition of dopamine D1 receptor
50038425	7	ChEMBL_476020 (CHEMBL927100)	Inhibition of dopamine D2 receptor
50038425	8	ChEMBL_476009 (CHEMBL927089)	Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells
50038426	1	ChEMBL_476041 (CHEMBL928167)	Inhibition of KDR in presence of 1 mM ATP
50038426	2	ChEMBL_476035 (CHEMBL927115)	Inhibition of KDR in presence of 10 uM ATP
50038426	3	ChEMBL_476037 (CHEMBL928163)	Inhibition of Pak4
50038426	4	ChEMBL_476036 (CHEMBL927116)	Inhibition of Plk1
50038426	5	ChEMBL_476040 (CHEMBL928166)	Inhibition of Akt1
50038426	6	ChEMBL_476043 (CHEMBL928169)	Inhibition of Flt3
50038426	7	ChEMBL_476044 (CHEMBL928170)	Inhibition of cKit
50038426	8	ChEMBL_476042 (CHEMBL928168)	Inhibition of VEGF-induced KDR phosphorylation in mouse 3T3 cells
50038427	1	ChEMBL_476056 (CHEMBL921744)	Inhibition of lyase activity of DNA polymerase beta
50038427	2	ChEMBL_476057 (CHEMBL921745)	Inhibition of polymerase activity of DNA polymerase beta
50038428	1	ChEMBL_476068 (CHEMBL923902)	Inhibition of EGFR expressed in DHER14 cells by Western blot analysis
50038428	2	ChEMBL_476069 (CHEMBL923903)	Inhibition of Her2 expressed in CSH12 cells by Western blot analysis
50038428	3	ChEMBL_476070 (CHEMBL923904)	Inhibition of IGF1R by ELISA
50038429	1	ChEMBL_476179 (CHEMBL922719)	Binding affinity to human recombinant thymidylate synthase
50038430	1	ChEMBL_476222 (CHEMBL935808)	Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method
50038430	2	ChEMBL_476221 (CHEMBL935807)	Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay
50038430	3	ChEMBL_476225 (CHEMBL935811)	Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method
50038430	4	ChEMBL_476226 (CHEMBL935812)	Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method
50038430	5	ChEMBL_476228 (CHEMBL936637)	Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method
50038430	6	ChEMBL_476227 (CHEMBL936636)	Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method
50038431	1	ChEMBL_476232 (CHEMBL936641)	Inhibition of COX2
50038431	2	ChEMBL_476231 (CHEMBL936640)	Inhibition of COX1
50038432	1	ChEMBL_476242 (CHEMBL933517)	Displacement of [125I]Echistatin from human placental integrin alpha-V-beta-5 receptor
50038433	1	ChEMBL_476271 (CHEMBL929194)	Displacement of [3H]-MGS0008 from mGluR2 expressed in CHO cells
50038434	1	ChEMBL_476357 (CHEMBL921517)	Agonist activity at PPAR alpha in human HEK cells by transactivation assay
50038434	2	ChEMBL_476359 (CHEMBL921519)	Binding affinity at PPAR gamma receptor
50038434	3	ChEMBL_476360 (CHEMBL921520)	Agonist activity at PPAR gamma in human HEK cells by transactivation assay
50038434	4	ChEMBL_476356 (CHEMBL937482)	Binding affinity at PPAR alpha receptor
50038435	1	ChEMBL_476659 (CHEMBL927172)	Inhibition of human factor 8 binding to immobilized phospholipid by surface plasmon resonance assay
50038435	2	ChEMBL_476655 (CHEMBL927168)	Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay
50038435	3	ChEMBL_476654 (CHEMBL927167)	Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay
50038435	4	ChEMBL_476656 (CHEMBL927169)	Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay
50000898	1	ChEBML_1697924	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP12 after 30 mins by fluorescence polarization assay
50000898	2	ChEBML_1697922	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from Chlamydia pneumoniae Mip after 30 mins by fluorescence polarization assay
50038436	1	ChEMBL_476693 (CHEMBL933483)	Inhibition of p38alpha
50038437	1	ChEMBL_476696 (CHEMBL933486)	Activation of procaspase 2 after 24 hrs
50038438	1	ChEMBL_476876 (CHEMBL940048)	Agonist activity at human GLP1 receptor expressed in BHK cells assessed as cAMP accumulation
50038438	2	ChEMBL_476889 (CHEMBL940153)	Binding affinity to human GLP1 receptor expressed in BHK cells
50038439	1	ChEMBL_476919 (CHEMBL924570)	Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast
50038440	1	ChEMBL_476981 (CHEMBL937486)	Antagonist activity at rat mGluR2 assessed as blockade of (1S,3R)-ACPD-induced inhibition of forskolin-stimulated cAMP production
50038440	2	ChEMBL_476980 (CHEMBL937485)	Displacement of [3H]LY354740 from rat mGluR2
50038440	3	ChEMBL_476982 (CHEMBL937487)	Antagonist activity at rat mGluR2 expressed in CHO cells assessed as inhibition of glutamta-induced GIRK current
50038440	4	ChEMBL_476983 (CHEMBL937488)	Antagonist activity at rat mGluR3 expressed in CHO cells assessed as inhibition of glutamate-induced GIRK current
50038440	5	ChEMBL_476993 (CHEMBL937498)	Inhibition of CYP3A4
50038441	1	ChEMBL_476996 (CHEMBL937500)	Inhibition of human recombinant SAHH
50038441	2	ChEMBL_476997 (CHEMBL937499)	Inhibition of human recombinant SAHH at 1000 uM
50038442	1	ChEMBL_477021 (CHEMBL933739)	Inhibition of human recombinant cathepsin K by fluorescence assay
50038442	2	ChEMBL_477022 (CHEMBL933740)	Inhibition of human recombinant cathepsin L by fluorescence assay
50038442	3	ChEMBL_477023 (CHEMBL933741)	Inhibition of human recombinant cathepsin S by fluorescence assay
50038443	1	ChEMBL_477125 (CHEMBL940160)	Activation of TRPA1
50038444	1	ChEMBL_477145 (CHEMBL921756)	Displacement of radiolabeled EGF from EGF receptor expressed in human MX1 cells
50038444	2	ChEMBL_477144 (CHEMBL921755)	Displacement of [125I]JV1-42 from GHRH receptor expressed in human MX1 cells
50038445	1	ChEMBL_477210 (CHEMBL923536)	Inhibition of recombinant Btk
50038445	2	ChEMBL_477211 (CHEMBL924604)	Inhibition of recombinant Abl kinase
50038445	3	ChEMBL_477212 (CHEMBL924605)	Inhibition of recombinant Tec kinase
50038445	4	ChEMBL_477216 (CHEMBL924609)	Inhibition of TAP-tagged wild-type Btk
50038446	1	ChEMBL_477340 (CHEMBL936430)	Inhibition of HDAC1
50038447	1	ChEMBL_477384 (CHEMBL928172)	Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein
50038448	1	ChEMBL_477389 (CHEMBL928177)	Agonist activity at human CB2 receptor
50038449	1	ChEMBL_477429 (CHEMBL929415)	Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulated cAMP accumulation
50038450	1	ChEMBL_477489 (CHEMBL937365)	Activation of human ERG1 isoform 1 expressed in Xenopus laevis oocytes assessed as shifting of voltage dependence of inactivation towards positive potentials by two electrode voltage clamp technique
50038450	2	ChEMBL_477490 (CHEMBL937366)	Activation of human ERG1 isoform 1 expressed in Xenopus laevis oocytes assessed as increase in peak tail current magnitude by two electrode voltage clamp technique
50038451	1	ChEMBL_477552 (CHEMBL924813)	Activity at androgen receptor ligand binding domain assessed as inhibition of SRC2-3 interaction after 2 hrs by fluorescence polarization assay
50038452	1	ChEMBL_477635 (CHEMBL928097)	Displacement of [3H]naloxone from mu opioid receptor in rat brain membrane
50038452	2	ChEMBL_477639 (CHEMBL928101)	Agonist activity at mu opioid receptor in guinea pig ileum
50038452	3	ChEMBL_477640 (CHEMBL928102)	Agonist activity at delta opioid receptor in mouse vas deferens
50038452	4	ChEMBL_477636 (CHEMBL928098)	Displacement of [3H]deltorphin2 from delta opioid receptor in rat brain membrane
50038453	1	ChEMBL_477674 (CHEMBL924740)	Inhibition of PTP1B
50038454	1	ChEMBL_477675 (CHEMBL924741)	Inhibition of p38-alpha MAPK
50038455	1	ChEMBL_477678 (CHEMBL924744)	Inhibition of CETP in human whole plasma
50038455	2	ChEMBL_477677 (CHEMBL924743)	Inhibition of human CETP by scintillation proximity assay
50038456	1	ChEMBL_477686 (CHEMBL937483)	Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current by voltage clamp technique
50038457	1	ChEMBL_477688 (CHEMBL925844)	Inhibition of human URAT1-mediated urate uptake in rat renal brush border membrane vesicles
50038457	2	ChEMBL_477689 (CHEMBL925845)	Inhibition of human URAT1-mediated urate uptake in HEK293 cells
50038457	3	ChEMBL_477691 (CHEMBL925847)	Inhibition of human URAT1-mediated urate uptake in HEK293 cells by competitive inhibition assay
50000898	3	ChEBML_1697921	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from Legionella pneumophila Mip after 30 mins by fluorescence polarization assay
50000898	4	ChEBML_1697925	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP12.6 after 30 mins by fluorescence polarization assay
50000898	5	ChEBML_1697927	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP25 after 30 mins by fluorescence polarization assay
50000898	6	ChEBML_1697928	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP51 after 30 mins by fluorescence polarization assay
50000898	7	ChEBML_1697926	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP13 after 30 mins by fluorescence polarization assay
50000898	8	ChEBML_1697929	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP52 after 30 mins by fluorescence polarization assay
50000898	9	ChEMBL_1697924 (CHEMBL4048814)	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from human FKBP12 after 30 mins by fluorescence polarization assay
50038459	1	ChEMBL_477728 (CHEMBL927026)	Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrs
50038460	1	ChEMBL_477735 (CHEMBL926069)	Inhibition of human telomerase expressed in HEK293T cells treated after telomerase elongation by telomeric repeat amplification protocol assay
50038460	2	ChEMBL_477736 (CHEMBL926070)	Inhibition of human telomerase expressed in HEK293T cells in presence of primer (T2AG3)3 by primer extension assay
50038460	3	ChEMBL_477737 (CHEMBL926071)	Inhibition of human telomerase expressed in HEK293T cells in presence of primer TS by primer extension assay
50038460	4	ChEMBL_477738 (CHEMBL926072)	Inhibition of human telomerase expressed in in HEK293T cells in presence of primer (T2AG3)4 by primer extension assay
50038460	5	ChEMBL_477734 (CHEMBL926068)	Inhibition of human telomerase expressed in HEK293T cells treated before telomerase elongation by telomeric repeat amplification protocol assay
50038461	1	ChEMBL_477747 (CHEMBL939957)	Inhibition of GABA-AT
50038462	1	ChEMBL_477773 (CHEMBL934714)	Inhibition of human tripeptidyl peptidase2 from erythrocytes
50038463	1	ChEMBL_477813 (CHEMBL931245)	Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay
50038464	1	ChEMBL_477817 (CHEMBL931249)	Displacement of [3H]PGE2 from human EP1 receptor expressed in CHOK1 cells
50038464	2	ChEMBL_477818 (CHEMBL931250)	Antagonist activity against human EP1 receptor expressed in CHOK1 cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by FLIPR assay
50038465	1	ChEMBL_477916 (CHEMBL923541)	Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization
50038465	2	ChEMBL_477917 (CHEMBL923542)	Displacement of [125I]C5a from human C5a receptor in U937 cells
50000898	10	ChEMBL_1697921 (CHEMBL4048811)	Displacement of 5-(3-(4-(((5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3,10-dihydroanthracen-9-yl)benzoate from Legionella pneumophila Mip after 30 mins by fluorescence polarization assay
50000899	1	ChEBML_1697936	Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate after 60 mins by fluorimeter
50038466	3	ChEMBL_477932 (CHEMBL935623)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50000899	2	ChEBML_1697937	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus-infected Sf9 insect cells using RHKK(Ac)AMC as substrate after 90 mins by fluorimeter
50038466	5	ChEMBL_477930 (CHEMBL923555)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50000899	3	ChEBML_1697941	Inhibition of recombinant human C-terminal GST-tagged HDAC4 expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-AMC as substrate by fluorimeter
50000900	13	ChEMBL_1698018 (CHEMBL4048908)	Antagonist activity at human SP/Myc epitope-tagged muscarinic M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced RLuc8-fused Galphaq activation preincubated for 15 mins followed by carbachol induction measured after 2 mins by BRET assay
50000899	5	ChEBML_1697939	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus-infected Sf21 insect cells using RHKK(Ac)AMC as substrate after 60 mins by fluorimeter
50000899	6	ChEBML_1697938	Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in baculovirus-infected insect cells using RHK(Ac)K(Ac)AMC as substrate after 60 mins by fluorimeter
50038467	1	ChEMBL_477941 (CHEMBL936413)	Inhibition of human HDAC4 in U937 cells by immunoprecipitation assay
50038467	2	ChEMBL_477940 (CHEMBL936412)	Inhibition of human HDAC1 in U937 cells by immunoprecipitation assay
50038468	1	ChEMBL_477983 (CHEMBL922651)	Inhibition of Aurora A Thr288 autophosphorylation in human HeLa cells after 1 hr
50038468	3	ChEMBL_477960 (CHEMBL927029)	Inhibition of mouse recombinant Aurora A kinase expressed in insect Sf9 cells by radioactive flashplate assay
50038468	4	ChEMBL_477961 (CHEMBL927030)	Inhibition of mouse recombinant Aurora B kinase expressed in insect Sf9 cells by radioactive flashplate assay
50038468	5	ChEMBL_477965 (CHEMBL927034)	Inhibition of CK2 by radioactive flashplate assay
50038468	6	ChEMBL_477966 (CHEMBL927035)	Inhibition of LCK by radioactive flashplate assay
50038468	8	ChEMBL_477969 (CHEMBL934732)	Inhibition of CHK2 by radioactive flashplate assay
50038468	10	ChEMBL_477971 (CHEMBL934734)	Inhibition of PLK1 by radioactive flashplate assay
50038469	1	ChEMBL_478380 (CHEMBL931332)	Binding affinity to human recombinant glucocorticoid receptor expressed in SF9 cells
50038469	2	ChEMBL_478381 (CHEMBL931333)	Binding affinity to human recombinant progesterone-A receptor expressed in SF9 cells
50038469	3	ChEMBL_478382 (CHEMBL931334)	Binding affinity to human recombinant androgen receptor expressed in SF9 cells
50038469	4	ChEMBL_478383 (CHEMBL931335)	Binding affinity to human recombinant mineralocorticoid receptor expressed in SF9 cells
50038470	1	ChEMBL_478517 (CHEMBL922479)	Agonist activity at human PPARalpha
50038470	2	ChEMBL_478518 (CHEMBL922480)	Agonist activity at human PPARgamma
50038471	1	ChEMBL_478522 (CHEMBL923484)	Inhibition of ovine COX1 by enzyme immuno assay
50038471	2	ChEMBL_478523 (CHEMBL923485)	Inhibition of ovine COX2 by enzyme immuno assay
50038472	1	ChEMBL_478539 (CHEMBL923502)	Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells
50038472	2	ChEMBL_478540 (CHEMBL923501)	Antagonist activity at human recombinant GnRHR expressed in CHOK1 cells assessed as reduction in luminescence signal by luciferase reporter gene assay
50038473	1	ChEMBL_478587 (CHEMBL940856)	Displacement of [3H]mepyramine from H1R in rat brain
50038474	1	ChEMBL_478596 (CHEMBL934543)	Inhibition of Src by luminescence based kinase assay
50038474	2	ChEMBL_478597 (CHEMBL934544)	Inhibition of Lyn by luminescence based kinase assay
50038474	3	ChEMBL_478598 (CHEMBL934545)	Inhibition of Abl by luminescence based kinase assay
50038474	4	ChEMBL_478600 (CHEMBL922441)	Inhibition of Lck by luminescence based kinase assay
50038474	5	ChEMBL_478601 (CHEMBL922442)	Inhibition of EphB4 by luminescence based kinase assay
50038474	6	ChEMBL_478599 (CHEMBL922440)	Inhibition of Yes by luminescence based kinase assay
50038475	1	ChEMBL_478755 (CHEMBL923632)	Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay
50038475	2	ChEMBL_478758 (CHEMBL936489)	Activity at SER4 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay
50038476	1	ChEMBL_478760 (CHEMBL936491)	Inhibition of BH3 peptide binding to human recombinant BCL-XL by fluorescence polarization assay
50038476	2	ChEMBL_478761 (CHEMBL936497)	Inhibition of BH3 peptide binding to human recombinant MCL1 by fluorescence polarization assay
50038476	3	ChEMBL_478762 (CHEMBL936498)	Inhibition of BH3 peptide binding to human recombinant BCL-w by fluorescence polarization assay
50038476	4	ChEMBL_478763 (CHEMBL936499)	Inhibition of BH3 peptide binding to human recombinant A1 by fluorescence polarization assay
50038476	5	ChEMBL_478764 (CHEMBL936500)	Inhibition of BH3 peptide binding to human recombinant BCL-b by fluorescence polarization assay
50038477	1	ChEMBL_478822 (CHEMBL925709)	Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane
50038478	1	ChEMBL_478883 (CHEMBL937353)	Inhibition human neutrophil elastase
50038479	1	ChEMBL_478886 (CHEMBL937357)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50038479	2	ChEMBL_478887 (CHEMBL921386)	Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cells
50038480	1	ChEMBL_478893 (CHEMBL933589)	Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cells
50038480	2	ChEMBL_478890 (CHEMBL933586)	Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells
50038480	3	ChEMBL_478891 (CHEMBL933587)	Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells
50038480	4	ChEMBL_478892 (CHEMBL933588)	Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells
50038481	1	ChEMBL_478939 (CHEMBL936365)	Displacement of 5-(SAENTA)-X8-fluorescein from human ENT1 transporter in human K562 cells
50038482	1	ChEMBL_479051 (CHEMBL921658)	Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate assay
50038482	2	ChEMBL_479059 (CHEMBL921666)	Activation of GPR109A receptor in CHOK1 cells assessed as ERK1/2 MAP kinase activation by ELISA
50038483	1	ChEMBL_479072 (CHEMBL933823)	Binding affinity to human SIRT1 by isothermal titration calorimetry
50038483	2	ChEMBL_479066 (CHEMBL933817)	Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay
50038483	3	ChEMBL_479067 (CHEMBL933818)	Activation of SIRT2 by mass spectrometry assay
50038483	4	ChEMBL_479068 (CHEMBL933819)	Activation of SIRT3 by mass spectrometry assay
50038484	1	ChEMBL_479121 (CHEMBL930199)	Inhibition of lymphoid-specific tyrosine phosphatase
50038484	2	ChEMBL_479122 (CHEMBL930200)	Inhibition of PTP1B
50038484	3	ChEMBL_479123 (CHEMBL931194)	Inhibition of SHP2
50038484	4	ChEMBL_479125 (CHEMBL931196)	Inhibition of PTP-Meg2
50038484	5	ChEMBL_479126 (CHEMBL925805)	Inhibition of FAP1
50038484	6	ChEMBL_479127 (CHEMBL925806)	Inhibition of VHR
50038484	7	ChEMBL_479124 (CHEMBL931195)	Inhibition of HePTP
50038484	8	ChEMBL_479128 (CHEMBL925807)	Inhibition of CD45
50038485	1	ChEMBL_479201 (CHEMBL925952)	Inhibition of DPP4 in human Caco-2 cells after 1 hr
50038485	2	ChEMBL_479202 (CHEMBL925953)	Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane
50038486	2	ChEMBL_479225 (CHEMBL927003)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells
50000899	7	ChEBML_1697945	Inhibition of recombinant human N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in baculovirus-infected insect cells using RHKK(Ac)AMC as substrate by fluorimeter
50000899	8	ChEBML_1697944	Inhibition of recombinant human HDAC10 expressed in baculovirus-infected insect cells using fluorogenic peptide RHKKAc as substrate by fluorimeter
50000899	9	ChEBML_1697943	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus-infected insect cells after 60 mins by fluorimeter
50000899	10	ChEBML_1697942	Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-AMC as substrate after 60 mins by fluorimeter
50000900	29	ChEMBL_1697995 (CHEMBL4048885)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50038486	4	ChEMBL_479227 (CHEMBL927001)	Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay
50038487	1	ChEMBL_479245 (CHEMBL932555)	Binding affinity at human CCR2 receptor
50038487	2	ChEMBL_479246 (CHEMBL932556)	Antagonist activity at CCR2 receptor expressed in THP1 cells assessed as MCP-1-induced calcium flux by chemotaxis assay
50000900	1	ChEBML_1697994	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50038488	2	ChEMBL_479250 (CHEMBL932560)	Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain
50000900	30	ChEMBL_1698001 (CHEMBL4048891)	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50000900	3	ChEBML_1697999	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50038488	3	ChEMBL_479263 (CHEMBL932573)	Displacement of [3H]MLA from alpha-7 nACh receptor in human IMR32 cells
50038488	4	ChEMBL_479255 (CHEMBL932565)	Binding affinity to rat 5HT3 receptor
50000900	4	ChEBML_1698000	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50038489	1	ChEMBL_479297 (CHEMBL933669)	Inhibition of FMS
50038490	1	ChEMBL_479300 (CHEMBL933672)	Inhibition of human cathepsin L
50038491	1	ChEMBL_479301 (CHEMBL933673)	Inhibition of Bacillus anthracis Enoyl ACP reductase
50038492	1	ChEMBL_479308 (CHEMBL933680)	Inhibition of mushroom tyrosinase
50038493	1	ChEMBL_479319 (CHEMBL933691)	Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay
50038493	2	ChEMBL_479317 (CHEMBL933689)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50038493	3	ChEMBL_479318 (CHEMBL933690)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50038494	1	ChEMBL_479326 (CHEMBL921609)	Inhibition of human recombinant PI3K-alpha assessed as formation of PI3P from PI by cell free kinase assay
50038495	1	ChEMBL_479333 (CHEMBL921616)	Inhibition of IKK2
50038495	2	ChEMBL_479334 (CHEMBL921617)	Inhibition of IKK1
50038496	1	ChEMBL_479339 (CHEMBL921622)	Inhibition of IRAK4
50038496	2	ChEMBL_479341 (CHEMBL921624)	Inhibition of IRAK1
50038497	1	ChEMBL_479349 (CHEMBL921632)	Inhibition of GSK3-beta assessed as breakdown of glycogen synthase derived substrate peptide by ADP hunter assay in presence of 100 uM ATP
50038497	3	ChEMBL_479359 (CHEMBL921643)	Inhibition of human recombinant Pim1
50038497	4	ChEMBL_479360 (CHEMBL921634)	Inhibition of GSK3-beta by ATP-based competitive assay
50038498	1	ChEMBL_479361 (CHEMBL921644)	Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells
50038498	2	ChEMBL_479363 (CHEMBL921646)	Inhibition of CYP2D6
50038498	3	ChEMBL_479364 (CHEMBL921647)	Inhibition of CYP3A4
50038498	4	ChEMBL_479369 (CHEMBL921652)	Agonist activity at kappa opioid receptor
50038499	1	ChEMBL_479409 (CHEMBL928211)	Inhibition of GSK3alpha
50038499	2	ChEMBL_479408 (CHEMBL928210)	Inhibition of GSK3-beta
50038499	3	ChEMBL_479410 (CHEMBL928212)	Inhibition of Aurora A
50038500	1	ChEMBL_479449 (CHEMBL934833)	Inhibition of ErbB2
50038500	2	ChEMBL_479448 (CHEMBL934832)	Inhibition of EGFR
50038501	1	ChEMBL_479463 (CHEMBL934847)	Inhibition of human recombinant TrkA
50038501	2	ChEMBL_479469 (CHEMBL934853)	Inhibition of CDK5
50038502	1	ChEMBL_479482 (CHEMBL935698)	Agonist activity at human PPARgamma expressed in HEK293 cells assessed as luciferase activity by GAL4 transactivation assay
50038502	2	ChEMBL_479480 (CHEMBL935696)	Binding affinity at human PPARalpha by fluorescence polarization
50038502	3	ChEMBL_479481 (CHEMBL935697)	Binding affinity at human PPARalpha by fluorescence polarization
50038502	4	ChEMBL_479483 (CHEMBL935699)	Agonist activity at human PPARalpha expressed in HEK293 cells assessed as luciferase activity by GAL4 transactivation assay
50038503	1	ChEMBL_479520 (CHEMBL924875)	Inhibition of PBCV1 Thymidylate synthase X
50038504	1	ChEMBL_479525 (CHEMBL924880)	Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration stopped-flow assay
50038504	2	ChEMBL_479526 (CHEMBL930512)	Inhibition of human cloned carbonic anhydrase 9 by CO2 hydration stopped-flow assay
50038504	3	ChEMBL_479524 (CHEMBL924879)	Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration stopped-flow assay
50038505	1	ChEMBL_479545 (CHEMBL931541)	Antagonist activity at glucocorticoid receptor assessed as inhibition of dexamethasone-induced glucose response element transcriptional transactivation by luciferase assay
50038505	2	ChEMBL_479547 (CHEMBL931543)	Activity at glucocorticoid receptor assessed as repression of TNFalpha and IL1 beta-induced E-selectin expression
50038505	3	ChEMBL_479540 (CHEMBL931536)	Displacement of radiolabeled Dexamethasone from glucocorticoid receptor
50038505	4	ChEMBL_479541 (CHEMBL931537)	Binding affinity at progesterone receptor
50038505	5	ChEMBL_479543 (CHEMBL931539)	Agonist activity at glucocorticoid receptor assessed as glucose response element transcriptional transactivation by luciferase assay
50038505	6	ChEMBL_479548 (CHEMBL931544)	Binding affinity at mineralocorticoid receptor
50038505	7	ChEMBL_479549 (CHEMBL931545)	Binding affinity at androgen receptor
50038506	1	ChEMBL_479556 (CHEMBL929420)	Inhibition of human ERG by patch clamp method
50038506	2	ChEMBL_479553 (CHEMBL929417)	Inhibition of human VEGFR2
50038506	3	ChEMBL_479555 (CHEMBL929419)	Inhibition of CYP3A4
50038506	4	ChEMBL_479560 (CHEMBL929424)	Inhibition of FGFR1
50038506	5	ChEMBL_479562 (CHEMBL929426)	Inhibition of EGFR
50038506	6	ChEMBL_479563 (CHEMBL929427)	Inhibition of HER2
50038506	8	ChEMBL_479566 (CHEMBL929430)	Inhibition of JAK3
50038506	9	ChEMBL_479558 (CHEMBL929422)	Inhibition of mouse Flk1
50038506	10	ChEMBL_479561 (CHEMBL929425)	Inhibition of PDGFRbeta
50038506	11	ChEMBL_479564 (CHEMBL929428)	Inhibition of LCK
50038506	12	ChEMBL_479559 (CHEMBL929423)	Inhibition of VEGFR1
50038507	1	ChEMBL_479602 (CHEMBL926798)	Agonist activity at TPO receptor
50038508	1	ChEMBL_479641 (CHEMBL921442)	Inhibition of human HDAC1 expressed in 293T cells
50038508	2	ChEMBL_479642 (CHEMBL921443)	Inhibition of human HDAC4 expressed in 293T cells
50038508	3	ChEMBL_479643 (CHEMBL921444)	Inhibition of human HDAC6 expressed in 293T cells
50038509	1	ChEMBL_479655 (CHEMBL922403)	Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay
50038509	2	ChEMBL_479651 (CHEMBL922399)	Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50038509	3	ChEMBL_479653 (CHEMBL922401)	Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50038509	4	ChEMBL_479649 (CHEMBL921450)	Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR
50038510	1	ChEMBL_479686 (CHEMBL935527)	Agonist activity at human androgen receptor in CV1 cells by transcriptional activation assay
50038510	2	ChEMBL_479688 (CHEMBL933552)	Antagonist activity at human androgen receptor in CV1 cells by transcriptional activation assay
50038510	3	ChEMBL_479690 (CHEMBL933554)	Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells
50038511	1	ChEMBL_479695 (CHEMBL933559)	Inhibition of equine BChE by Ellman's assay
50038511	2	ChEMBL_479694 (CHEMBL933558)	Inhibition of electric eel AchE by Ellman's assay
50038512	1	ChEMBL_479697 (CHEMBL933561)	Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase
50038512	2	ChEMBL_479698 (CHEMBL933562)	Inhibition of human beta hexosaminidase
50038512	3	ChEMBL_479699 (CHEMBL933563)	Inhibition of human OGA
50038513	1	ChEMBL_479701 (CHEMBL933565)	Binding affinity to human adenosine A2A receptor
50038513	2	ChEMBL_479700 (CHEMBL933564)	Binding affinity to human adenosine A1 receptor
50038514	1	ChEMBL_479708 (CHEMBL933572)	Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay
50038514	2	ChEMBL_479704 (CHEMBL933568)	Binding affinity at human adenosine A1 receptor
50038514	3	ChEMBL_479705 (CHEMBL933569)	Binding affinity at human adenosine A2B receptor
50038514	4	ChEMBL_479706 (CHEMBL933570)	Binding affinity at human adenosine A3 receptor
50038514	5	ChEMBL_479703 (CHEMBL933567)	Binding affinity at human adenosine A2A receptor
50038515	1	ChEMBL_479714 (CHEMBL921474)	Binding affinity at human adenosine A1 receptor
50038515	2	ChEMBL_479713 (CHEMBL921473)	Binding affinity at human adenosine A2A receptor
50038516	1	ChEMBL_479728 (CHEMBL929225)	Inhibition of [3H]5-HT uptake at human recombinant 5HT transporter expressed in HEK293 cells
50038516	2	ChEMBL_479729 (CHEMBL929226)	Inhibition of [3H]NA uptake at human recombinant NA transporter expressed in HEK293 cells
50038516	3	ChEMBL_479730 (CHEMBL929227)	Inhibition of [3H]DA uptake at human recombinant DAT expressed in HEK293 cells
50038516	4	ChEMBL_479733 (CHEMBL929230)	Inhibition of CYP2D6
50038516	5	ChEMBL_479734 (CHEMBL929231)	Inhibition of CYP3A4
50038517	1	ChEMBL_479735 (CHEMBL929232)	Inhibition of human cathepsin D by FRET assay
50038517	2	ChEMBL_479736 (CHEMBL929233)	Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay
50038518	1	ChEMBL_479740 (CHEMBL929237)	Inhibition of human cathepsin L
50038518	2	ChEMBL_479741 (CHEMBL929238)	Inhibition of human cathepsin B
50038519	1	ChEMBL_479743 (CHEMBL929240)	Inhibition of KDR by ELISA
50038520	1	ChEMBL_479769 (CHEMBL934701)	Binding affinity to thrombin
50038520	2	ChEMBL_479759 (CHEMBL934691)	Binding affinity to human thrombin
50038521	1	ChEMBL_479804 (CHEMBL930374)	Inhibition of CYP2D6
50038521	2	ChEMBL_479805 (CHEMBL930375)	Inhibition of CYP3A4
50038522	1	ChEMBL_479811 (CHEMBL930381)	Inhibition of human factor 10a
50038523	1	ChEMBL_479892 (CHEMBL935745)	Inhibition of rat brain FAAH mediated [14C]anandamide hydrolysis
50038523	2	ChEMBL_479895 (CHEMBL935748)	Inhibition of human DAGLalpha mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG in COS cell
50038523	3	ChEMBL_479896 (CHEMBL935749)	Binding affinity to human CB1 receptor expressed in COS cells
50038523	4	ChEMBL_479897 (CHEMBL935750)	Binding affinity to human CB2 receptor expressed in COS cells
50038523	5	ChEMBL_479898 (CHEMBL935751)	Agonist activity at rat TRPA1 channel expressed in human HEK293 cells assessed as elevation in intracellular calcium flux
50038523	6	ChEMBL_479900 (CHEMBL935753)	Agonist activity at human TRPV1 channel expressed in human HEK293 cells assessed as elevation in intracellular calcium flux
50038524	1	ChEMBL_479907 (CHEMBL923557)	Displacement of radioligand from human adenosine A3 receptor expressed in CHO cells
50000900	5	ChEBML_1698021	Agonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphaq activation after 2 mins by BRET assay
50038524	2	ChEMBL_479906 (CHEMBL935759)	Displacement of radioligand from human adenosine A2A receptor expressed in HEK293 cells
50000900	21	ChEMBL_1698019 (CHEMBL4048909)	Agonist activity at human SP/Myc epitope-tagged muscarinic M1 receptor expressed in HEK293T cells assessed as mVenus-fused beta-arrestin2 recruitment after 2 mins by BRET assay
50038524	3	ChEMBL_479904 (CHEMBL935757)	Displacement of [125I]N6-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cells
50038524	4	ChEMBL_479905 (CHEMBL935758)	Displacement of radioligand from human adenosine A1 receptor expressed in CHO cells
50000900	6	ChEBML_1698003	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50038524	5	ChEMBL_479908 (CHEMBL923558)	Displacement of radioligand from rat adenosine A1 receptor
50038524	6	ChEMBL_479910 (CHEMBL923560)	Displacement of radioligand from rat A3 adenosine receptor
50038524	8	ChEMBL_479909 (CHEMBL923559)	Displacement of radioligand from rat adenosine A2A receptor
50000900	7	ChEBML_1698004	Displacement of [3H]prazosin from human recombinant alpha-1A adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000900	8	ChEBML_1698005	Displacement of [3H]prazosin from human recombinant alpha-1B adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000900	9	ChEBML_1698006	Displacement of [3H]prazosin from human recombinant alpha-1D adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50000900	10	ChEBML_1698007	Displacement of [3H]CGP12177 from human recombinant beta1 adrenergic receptor expressed in HEK293 cell membranes after 90 mins by beta counting method
50000900	16	ChEMBL_1698020 (CHEMBL4048910)	Antagonist activity at human SP/Myc epitope-tagged muscarinic M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced mVenus-fused beta-arrestin2 recruitment preincubated for 15 mins followed by carbachol induction measured after 2 mins by BRET assay
50000900	11	ChEMBL_1698016 (CHEMBL4048906)	Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced mVenus-fused beta-arrestin2 recruitment preincubated for 15 mins followed by dopamine induction measured after 2 mins by BRET assay
50000900	17	ChEMBL_1698021 (CHEMBL4048911)	Agonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphaq activation after 2 mins by BRET assay
50000900	31	ChEMBL_1698017 (CHEMBL4048907)	Agonist activity at human SP/Myc epitope-tagged muscarinic M1 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphaq activation after 2 mins by BRET assay
50000900	27	ChEMBL_1698014 (CHEMBL4048904)	Antagonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced RLuc8-fused Galphai1 activation preincubated for 15 mins followed by dopamine induction measured after 2 mins by BRET assay
50000900	26	ChEMBL_1698012 (CHEMBL4048902)	Agonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphai1 activation after 2 mins by BRET assay
50038525	1	ChEMBL_479925 (CHEMBL929248)	Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC3/NcoR2 by fluorescence polarization assay
50038525	2	ChEMBL_479926 (CHEMBL929249)	Displacement of fluorescent 5-(3-(3-(4-((4-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)phenylamino)methyl)-1H-1,2,3-triazol-1-yl)propyl)thioureido)-2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid from human HDAC6 by fluorescence polarization assay
50038526	1	ChEMBL_479927 (CHEMBL929250)	Displacement of [3H]CP-55940 from human cloned CB1 receptor
50038526	2	ChEMBL_479928 (CHEMBL929251)	Displacement of [3H]CP-55940 from human cloned CB2 receptor
50038526	3	ChEMBL_479931 (CHEMBL929254)	Agonist activity at human cloned CB1 receptor by [35S]GTPgammaS binding assay
50038526	4	ChEMBL_479932 (CHEMBL929255)	Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay
50038527	1	ChEMBL_479969 (CHEMBL932362)	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells
50038527	2	ChEMBL_479968 (CHEMBL932361)	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells
50038527	3	ChEMBL_479973 (CHEMBL932366)	Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells
50038527	4	ChEMBL_479972 (CHEMBL932365)	Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells
50038528	1	ChEMBL_480031 (CHEMBL927972)	Inhibition of B-RAF kinase
50038528	2	ChEMBL_480033 (CHEMBL927975)	Inhibition of C-RAF kinase
50038530	4	ChEMBL_480043 (CHEMBL927982)	Inhibition of PKCbeta
50038530	6	ChEMBL_480045 (CHEMBL927984)	Inhibition of PKCepsilon
50038530	7	ChEMBL_480047 (CHEMBL927986)	Inhibition of Lck
50038530	8	ChEMBL_480048 (CHEMBL927987)	Inhibition of MK2
50038530	9	ChEMBL_480049 (CHEMBL927988)	Inhibition of AKT
50000900	12	ChEBML_1698018	Antagonist activity at human SP/Myc epitope-tagged muscarinic M1 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced RLuc8-fused Galphaq activation preincubated for 15 mins followed by carbachol induction measured after 2 mins by BRET assay
50038530	11	ChEMBL_480051 (CHEMBL927990)	Inhibition of mouse PKCtheta in KO cells assessed as blockade of anti CD28-stimulated IL2 production
50038532	1	ChEMBL_480067 (CHEMBL929343)	Inhibition of human FPPS
50000900	15	ChEBML_1697993	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50038533	2	ChEMBL_480069 (CHEMBL929345)	Inhibition of cathepsin D
50000900	18	ChEMBL_1698023 (CHEMBL4048913)	Antagonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced RLuc8-fused Galphaq activation preincubated for 15 mins followed by carbachol induction measured after 2 mins by BRET assay
50000900	14	ChEMBL_1698025 (CHEMBL4048915)	Antagonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced mVenus-fused beta-arrestin2 recruitment preincubated for 15 mins followed by carbachol induction measured after 2 mins by BRET assay
50000900	20	ChEMBL_1697998 (CHEMBL4048888)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50000900	22	ChEBML_1698008	Displacement of [3H]CGP12177 from human recombinant beta2 adrenergic receptor expressed in HEK293 cell membranes after 90 mins by beta counting method
50000900	23	ChEBML_1698009	Displacement of [3H](+)-pentazocine from sigma1 receptor in Hartley guinea pig brain cortex after 120 mins by scintillation counting method
50000900	24	ChEBML_1698010	Displacement of [3H]WIN 35,428 from DAT in Sprague-Dawley rat striatum after 120 mins by scintillation counting method
50038534	1	ChEMBL_480083 (CHEMBL934808)	Inhibition of SK2 expressed in CHO FlipIn cells by whole cell patch-clamp assay
50038534	2	ChEMBL_480082 (CHEMBL934807)	Inhibition of SK1 expressed in CHO FlipIn cells by whole cell patch-clamp assay
50038534	3	ChEMBL_480084 (CHEMBL934809)	Inhibition of SK3 expressed in CHO FlipIn cells by whole cell patch-clamp assay
50038535	1	ChEMBL_480088 (CHEMBL934813)	Inhibition of human 11-beta-HSD1 by SPA assay
50038535	2	ChEMBL_480091 (CHEMBL934816)	Inhibition of mouse 11-beta-HSD2 by SPA assay
50038535	3	ChEMBL_480089 (CHEMBL934814)	Inhibition of mouse 11-beta-HSD1 by SPA assay
50038535	4	ChEMBL_480090 (CHEMBL934815)	Inhibition of human 11-beta-HSD2 by SPA assay
50038536	1	ChEMBL_480123 (CHEMBL923765)	Binding affinity to human GnRHR
50038536	2	ChEMBL_480124 (CHEMBL923764)	Antagonist activity at human GnRHR assessed as inhibition of calcium flux by IP3 assay
50038537	1	ChEMBL_551370 (CHEMBL1008496)	Inhibition of COX1
50038537	2	ChEMBL_551369 (CHEMBL1008495)	Inhibition of COX2
50000900	25	ChEBML_1698011	Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat midbrain after 60 mins by scintillation counting method
50038538	1	ChEMBL_502909 (CHEMBL987619)	Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane
50038538	2	ChEMBL_502910 (CHEMBL987620)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat brain membrane
50038539	1	ChEMBL_503091 (CHEMBL984068)	Inhibition of DNA polymerase beta
50038539	2	ChEMBL_503089 (CHEMBL984066)	Inhibition of DNA polymerase alpha
50038540	1	ChEMBL_503194 (CHEMBL990317)	Displacement of [3H]ryanodine from Ry1R/FKBP12 receptor complex in rabbit sarcoplasmic reticulum
50038541	1	ChEMBL_482058 (CHEMBL958548)	Inhibition of Naja Naja PLA2
50038542	1	ChEMBL_548735 (CHEMBL1024188)	Inhibition of bee venom secretory PLA2
50038542	2	ChEMBL_548739 (CHEMBL1024192)	Inhibition of human synovial secretory PLA2
50038543	1	ChEMBL_549075 (CHEMBL1011444)	Inhibition of thrombin
50038544	4	ChEMBL_549473 (CHEMBL997271)	Inhibition of rat air pouch group2 sPLA2 at 10 uM by liquid scintillation counting
50000900	19	ChEMBL_1698024 (CHEMBL4048914)	Agonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as mVenus-fused beta-arrestin2 recruitment after 2 mins by BRET assay
50038545	1	ChEMBL_550431 (CHEMBL1003453)	Inhibition of COX2-catalyzed prostaglandin biosynthesis after 10 mins of preincubation
50038545	2	ChEMBL_550432 (CHEMBL1003454)	Inhibition of COX1-catalyzed prostaglandin biosynthesis 10 mins of preincubation
50038547	1	ChEMBL_550858 (CHEMBL1007657)	Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells
50038547	2	ChEMBL_550859 (CHEMBL1007658)	Displacement of [3H]ketanserin from 5HT2A receptor in rat brain membrane
50038549	1	ChEMBL_548002 (CHEMBL1027548)	Inhibition of Thermus aquaticus-DNA polymerase by PCR analysis
50038550	1	ChEMBL_504440 (CHEMBL986727)	Inhibition of aldose reductase in rat lens homogenate
50038551	1	ChEMBL_504639 (CHEMBL993810)	Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay
50038552	1	ChEMBL_486334 (CHEMBL1009563)	Displacement of endothelin-1 from ETA receptor in rat A10 cells
50038553	1	ChEMBL_486934 (CHEMBL1012196)	Displacement of [3H]SR12813 from human PXR by scintillation proximity competition binding assay
50038554	1	ChEMBL_502461 (CHEMBL986634)	Inhibition of His-tagged human reticulocyte 15-lipoxygenase
50038554	2	ChEMBL_502462 (CHEMBL986635)	Inhibition of His-tagged human platelet 12-lipoxygenase
50038555	1	ChEMBL_481449 (CHEMBL1008707)	Inhibition of lyase activity of rat DNA polymerase beta after 30 mins by deoxyribose phosphate excision assay
50038557	1	ChEMBL_481537 (CHEMBL998458)	Estrogenic activity at human estrogen receptor expressing Saccharomyces cerevisiae carrying estrogen responsive sequence containing plasmid assessed as metabolism of chlorophenol res beta-D-galactopyranoside
50038557	2	ChEMBL_481538 (CHEMBL999258)	Estrogenic activity at estrogen receptor in human Ishikawa Var-1 cells assessed as stimulation of alkaline phosphatase activity measured by metabolism of p-nitrophenol phosphatase after 72 hrs
50038558	1	ChEMBL_481595 (CHEMBL953650)	Inhibition of rat brain acetylcholinesterase by colorimetric method
50038559	1	ChEMBL_480247 (CHEMBL1020816)	Inhibition of COX2
50038559	2	ChEMBL_480246 (CHEMBL1020815)	Inhibition of COX1
50038560	1	ChEMBL_531267 (CHEMBL986117)	Inhibition of Electrophorus electricus AChE by Ellman's method
50038560	2	ChEMBL_531268 (CHEMBL986118)	Inhibition of horse serum BuChE by Ellman's method
50038561	1	ChEMBL_531315 (CHEMBL989727)	Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichia coli WK6
50038562	1	ChEMBL_531123 (CHEMBL974009)	Inhibition of Ret by cellular assay
50038562	2	ChEMBL_531097 (CHEMBL976905)	Inhibition of Ron by cellular assay
50038562	4	ChEMBL_531121 (CHEMBL973096)	Inhibition of PDGFRalpha by cellular assay
50038562	5	ChEMBL_531342 (CHEMBL990531)	Inhibition of Nek2
50038562	6	ChEMBL_531341 (CHEMBL990530)	Inhibition of MYLK2
50038562	7	ChEMBL_531343 (CHEMBL990532)	Inhibition of NTRK1
50038562	8	ChEMBL_531344 (CHEMBL990533)	Inhibition of PCTK1
50038562	9	ChEMBL_531345 (CHEMBL990534)	Inhibition of PHKG1
50038562	10	ChEMBL_531346 (CHEMBL990535)	Inhibition of PHKG2
50038562	11	ChEMBL_531347 (CHEMBL990536)	Inhibition of PRKAA1
50038562	12	ChEMBL_531348 (CHEMBL990537)	Inhibition of PTK2
50038562	13	ChEMBL_531349 (CHEMBL990538)	Inhibition of RPSKA2
50038562	14	ChEMBL_531350 (CHEMBL990539)	Inhibition of RPSKA3
50038562	15	ChEMBL_531351 (CHEMBL990540)	Inhibition of RPSKA5
50038562	16	ChEMBL_531352 (CHEMBL990541)	Inhibition of SLK
50038562	17	ChEMBL_531353 (CHEMBL990542)	Inhibition of STK10
50038562	18	ChEMBL_531354 (CHEMBL990543)	Inhibition of STK16
50038562	20	ChEMBL_531356 (CHEMBL990545)	Inhibition of STK17b
50038562	21	ChEMBL_531357 (CHEMBL990546)	Inhibition of STK18
50038562	22	ChEMBL_531358 (CHEMBL990547)	Inhibition of STK4
50038562	23	ChEMBL_531359 (CHEMBL990548)	Inhibition of TNIK
50038562	24	ChEMBL_531360 (CHEMBL990549)	Inhibition of TTK
50038562	25	ChEMBL_531112 (CHEMBL973087)	Inhibition of Src
50038562	26	ChEMBL_531361 (CHEMBL990550)	Inhibition of Csk
50038562	27	ChEMBL_531362 (CHEMBL990551)	Inhibition of c-Yes
50038562	28	ChEMBL_531120 (CHEMBL973095)	Inhibition of Lck by cellular assay
50038562	29	ChEMBL_531322 (CHEMBL989734)	Inhibition of c-Abl
50038562	30	ChEMBL_531119 (CHEMBL973094)	Inhibition of c-Kit by cellular assay
50038562	31	ChEMBL_531098 (CHEMBL976906)	Inhibition of EGFR by cellular assay
50038562	33	ChEMBL_531114 (CHEMBL973089)	Inhibition of EphA3 by cellular assay
50038562	34	ChEMBL_531115 (CHEMBL973090)	Inhibition of EphB4 by cellular assay
50038562	35	ChEMBL_531116 (CHEMBL973091)	Inhibition of FGFR1 by cellular assay
50038562	36	ChEMBL_531117 (CHEMBL973092)	Inhibition of Flt1 by cellular assay
50038562	38	ChEMBL_531122 (CHEMBL973097)	Inhibition of PDGFRbeta by cellular assay
50038562	39	ChEMBL_531124 (CHEMBL974010)	Inhibition of Src by cellular assay
50038562	41	ChEMBL_531127 (CHEMBL974013)	Inhibition of TrkC by cellular assay
50038562	42	ChEMBL_531129 (CHEMBL974015)	Inhibition of FGFR3
50038562	43	ChEMBL_531130 (CHEMBL974016)	Inhibition of Fes
50038562	44	ChEMBL_531135 (CHEMBL974021)	Inhibition of FLT3 by cellular assay
50038562	45	ChEMBL_531372 (CHEMBL990561)	Inhibition of InsR by cellular assay
50038562	46	ChEMBL_531343 (CHEMBL990532)	Inhibition of NTRK1
50038562	47	ChEMBL_531392 (CHEMBL966747)	Inhibition of Tyk2 by cellular assay
50038562	49	ChEMBL_531133 (CHEMBL974019)	Inhibition of Aurora C
50038562	50	ChEMBL_531136 (CHEMBL974022)	Inhibition of B-raf
50038562	51	ChEMBL_531322 (CHEMBL989734)	Inhibition of c-Abl
50038562	53	ChEMBL_531332 (CHEMBL990521)	Inhibition of EphA7
50038562	54	ChEMBL_531135 (CHEMBL974021)	Inhibition of FLT3 by cellular assay
50038562	55	ChEMBL_531336 (CHEMBL990525)	Inhibition of FLT4
50038562	56	ChEMBL_531365 (CHEMBL990554)	Inhibition of Frk
50038562	57	ChEMBL_531366 (CHEMBL990555)	Inhibition of p38alpha
50038562	58	ChEMBL_531367 (CHEMBL990556)	Inhibition of p38beta
50038562	59	ChEMBL_531318 (CHEMBL989730)	Inhibition of STK10
50038562	61	ChEMBL_531370 (CHEMBL990559)	Inhibition of DDR1
50038562	62	ChEMBL_531138 (CHEMBL974024)	Inhibition of ALK by cellular assay
50038562	63	ChEMBL_531092 (CHEMBL976900)	Inhibition of Erbb2
50038562	64	ChEMBL_531093 (CHEMBL976901)	Inhibition of Erbb4
50038562	65	ChEMBL_531141 (CHEMBL974027)	Inhibition of Abl1
50038562	66	ChEMBL_531143 (CHEMBL974029)	Inhibition of Gak
50038562	67	ChEMBL_531120 (CHEMBL973095)	Inhibition of Lck by cellular assay
50038562	68	ChEMBL_531095 (CHEMBL976903)	Inhibition of c-Met by cellular assay
50000900	28	ChEMBL_1698015 (CHEMBL4048905)	Agonist activity at human SP/Myc epitope-tagged dopamine D4 receptor expressed in HEK293T cells assessed as mVenus-fused beta-arrestin2 recruitment after 2 mins by BRET assay
50038562	71	ChEMBL_531116 (CHEMBL973091)	Inhibition of FGFR1 by cellular assay
50000902	9	ChEMBL_1698166 (CHEMBL4049056)	Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method
50038562	73	ChEMBL_531321 (CHEMBL989733)	Inhibition of Flk1 by cellular assay
50038562	74	ChEMBL_531323 (CHEMBL989735)	Inhibition of c-Src
50038562	75	ChEMBL_531380 (CHEMBL990569)	Inhibition of IGF1R
50038562	76	ChEMBL_531384 (CHEMBL966739)	Inhibition of Cdk2
50038562	77	ChEMBL_531385 (CHEMBL966740)	Inhibition of MK2
50038562	78	ChEMBL_531386 (CHEMBL966741)	Inhibition of MK3
50038562	79	ChEMBL_531389 (CHEMBL966744)	Inhibition of GSK3-beta
50038562	80	ChEMBL_531098 (CHEMBL976906)	Inhibition of EGFR by cellular assay
50000902	10	ChEMBL_1698165 (CHEMBL4049055)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method
50038562	83	ChEMBL_531103 (CHEMBL976911)	Inhibition of human Her2 in BT474 cells
50000901	1	ChEBML_1698121	Inhibition of human TRPA1 expressed in HEK293 cells assessed as inhibition of cinnamaldehyde-induced Ca2+ influx preincubated for 20 mins followed by cinnamaldehyde induction by FLIPR assay
50038562	86	ChEMBL_531118 (CHEMBL973093)	Inhibition of KDR by cellular assay
50038562	87	ChEMBL_531111 (CHEMBL973086)	Inhibition of Kit
50038562	88	ChEMBL_531324 (CHEMBL989736)	Inhibition of BIKE
50038562	90	ChEMBL_531326 (CHEMBL989738)	Inhibition of CAMK2gamma
50038562	91	ChEMBL_531327 (CHEMBL989739)	Inhibition of CLK1
50038562	92	ChEMBL_531328 (CHEMBL990517)	Inhibition of CLK2
50038562	93	ChEMBL_531329 (CHEMBL990518)	Inhibition of CLK4
50038562	94	ChEMBL_531330 (CHEMBL990519)	Inhibition of DAPK2
50038562	95	ChEMBL_531331 (CHEMBL990520)	Inhibition of DAPK3
50038562	96	ChEMBL_531333 (CHEMBL990522)	Inhibition of EphB1
50038562	97	ChEMBL_531334 (CHEMBL990523)	Inhibition of FGFR2
50038562	98	ChEMBL_531335 (CHEMBL990524)	Inhibition of FGR
50038562	99	ChEMBL_531337 (CHEMBL990526)	Inhibition of InsR
50038562	100	ChEMBL_531338 (CHEMBL990527)	Inhibition of Jak1
50038562	101	ChEMBL_531393 (CHEMBL966748)	Inhibition of ZAP70 by cellular assay
50038562	102	ChEMBL_531391 (CHEMBL966746)	Inhibition of Met by cellular assay
50038562	103	ChEMBL_531126 (CHEMBL974012)	Inhibition of Tie2 by cellular assay
50038562	104	ChEMBL_531339 (CHEMBL990528)	Inhibition of Lyn
50038562	105	ChEMBL_531340 (CHEMBL990529)	Inhibition of MAP4K5
50038562	107	ChEMBL_531363 (CHEMBL990552)	Inhibition of EphA8
50038562	108	ChEMBL_531364 (CHEMBL990553)	Inhibition of EphA5
50038562	110	ChEMBL_531131 (CHEMBL974017)	Inhibition of Aurora A
50038562	111	ChEMBL_531125 (CHEMBL974011)	Inhibition of Syk by cellular assay
50038562	3	ChEMBL_531078 (CHEMBL976886)	Inhibition of Bmx by cellular assay
50038562	112	ChEMBL_531375 (CHEMBL990564)	Inhibition of FGFR3 by cellular assay
50038562	113	ChEMBL_531138 (CHEMBL974024)	Inhibition of ALK by cellular assay
50038562	114	ChEMBL_531376 (CHEMBL990565)	Inhibition of Axl
50038562	115	ChEMBL_531378 (CHEMBL990567)	Inhibition of TrkB
50038562	116	ChEMBL_531122 (CHEMBL973097)	Inhibition of PDGFRbeta by cellular assay
50038562	117	ChEMBL_531397 (CHEMBL966752)	Inhibition of Sky
50038562	118	ChEMBL_531398 (CHEMBL966753)	Inhibition of Fms
50038562	119	ChEMBL_531115 (CHEMBL973090)	Inhibition of EphB4 by cellular assay
50038562	120	ChEMBL_531400 (CHEMBL966755)	Inhibition of EphB2
50038562	121	ChEMBL_531401 (CHEMBL966756)	Inhibition of Fyn
50038562	122	ChEMBL_531402 (CHEMBL966757)	Inhibition of CDK7/cyclin H/MAT1
50038562	123	ChEMBL_531403 (CHEMBL966758)	Inhibition of PKCmu
50038562	124	ChEMBL_531404 (CHEMBL966759)	Inhibition of BTK
50038562	126	ChEMBL_531406 (CHEMBL966761)	Inhibition of P70S6K
50038562	127	ChEMBL_531407 (CHEMBL966762)	Inhibition of PRK2
50038562	128	ChEMBL_531408 (CHEMBL966763)	Inhibition of PKBeta
50038562	129	ChEMBL_531123 (CHEMBL974009)	Inhibition of Ret by cellular assay
50038563	1	ChEMBL_533128 (CHEMBL980537)	Inhibition of human recombinant DYRK1A
50038564	1	ChEMBL_533185 (CHEMBL968638)	Inhibition of human recombinant PTP1B
50038565	1	ChEMBL_533382 (CHEMBL980608)	Inhibition of rat lens aldose reductase
50038566	1	ChEMBL_531190 (CHEMBL974076)	Displacement of [3H]DAMGO from mu opioid receptor in ICR mouse whole brain
50038566	2	ChEMBL_531191 (CHEMBL974077)	Displacement of [3H]DPDPE from delta opioid receptor in ICR mouse whole brain
50038566	3	ChEMBL_531192 (CHEMBL983435)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50038567	1	ChEMBL_532739 (CHEMBL972313)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst4 receptor expressed in chinese hamster CCL39 cells by autoradiography
50038567	2	ChEMBL_532737 (CHEMBL972311)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst1 receptor expressed in CHOK1 cells by autoradiography
50038567	3	ChEMBL_532736 (CHEMBL972310)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst2 receptor expressed in chinese hamster CCL39 cells by autoradiography
50038567	4	ChEMBL_532738 (CHEMBL972312)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst3 receptor expressed in chinese hamster CCL39 cells by autoradiography
50038567	5	ChEMBL_532735 (CHEMBL972309)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human sst5 receptor expressed in CHOK1 cells by autoradiography
50038568	1	ChEMBL_532742 (CHEMBL972316)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human cloned sst1 receptor
50038568	2	ChEMBL_532743 (CHEMBL972317)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst2 receptor expressed in CCL39 cells
50038568	3	ChEMBL_532744 (CHEMBL972318)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst3 receptor expressed in CCL39 cells
50038568	4	ChEMBL_532745 (CHEMBL972319)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst4 receptor expressed in CCL39 cells
50038568	5	ChEMBL_532746 (CHEMBL972320)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst5 receptor expressed in CHOK1 cells
50038569	1	ChEMBL_532760 (CHEMBL972334)	Agonist activity at human melanocortin 4 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038569	3	ChEMBL_532750 (CHEMBL972324)	Agonist activity at human melanocortin 1 receptor expressed in HEK293 cells assessed as cAMP accumulation
50000901	2	ChEBML_1698126	Inhibition of rat TRPA1 expressed in HEK293 cells assessed as inhibition of cinnamaldehyde-induced Ca2+ influx preincubated for 20 mins followed by cinnamaldehyde induction by FLIPR assay
50000901	3	ChEBML_1698127	Inhibition of human TRPM8
50000901	4	ChEBML_1698128	Inhibition of human TRPV1
50038569	6	ChEMBL_532760 (CHEMBL972334)	Agonist activity at human melanocortin 4 receptor expressed in HEK293 cells assessed as cAMP accumulation
50038569	8	ChEMBL_532765 (CHEMBL975198)	Agonist activity at human melanocortin 5 receptor expressed in HEK293 cells assessed as cAMP accumulation
50000902	1	ChEBML_1698166	Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method
50000907	7	ChEMBL_1698236 (CHEMBL4049126)	Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method
50000902	2	ChEBML_1698165	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method
50038569	7	ChEMBL_532763 (CHEMBL975196)	Displacement of [125I]-[Nle4, D-Phe7]alpha-MSH from human melanocortin 5 receptor expressed in HEK293 cells
50038570	4	ChEMBL_533287 (CHEMBL973306)	Activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038570	5	ChEMBL_533284 (CHEMBL973302)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50000902	3	ChEBML_1698171	Inhibition of CYP3A4 in human liver microsomes using DBF as substrate by fluorescence assay
50000902	4	ChEBML_1698172	Inhibition of CYP2D6 in human liver microsomes using AMMC as substrate by fluorescence assay
50038570	7	ChEMBL_533286 (CHEMBL973305)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells
50038571	1	ChEMBL_556593 (CHEMBL958092)	Displacement of [3H]WIN-35428 from dopamine transporter
50038571	2	ChEMBL_556594 (CHEMBL958093)	Displacement of [3H]nisoxetine from norepinephrine transporter
50038571	3	ChEMBL_556595 (CHEMBL958094)	Displacement of [3H]paroxetine from serotonin transporter
50038572	1	ChEMBL_552264 (CHEMBL995594)	Displacement of [3H]CP-55940 from human CB2 receptor
50038572	2	ChEMBL_552265 (CHEMBL995595)	Agonist activity at human CB2 receptor assessed as inhibition of forskolin-stimulated cAMP production
50038572	3	ChEMBL_552268 (CHEMBL995598)	Displacement of [3H]SR141716A from human CB1 receptor
50038573	1	ChEMBL_556337 (CHEMBL954070)	Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding
50038573	2	ChEMBL_556340 (CHEMBL954073)	Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level
50038573	3	ChEMBL_556341 (CHEMBL954074)	Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding
50038573	4	ChEMBL_556358 (CHEMBL954091)	Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding
50038574	1	ChEMBL_552365 (CHEMBL1005955)	Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells
50038575	1	ChEMBL_556742 (CHEMBL959805)	Binding affinity to histamine H2 receptor
50038575	2	ChEMBL_556743 (CHEMBL959806)	Binding affinity to 5HT1D receptor
50038575	3	ChEMBL_556744 (CHEMBL959807)	Binding affinity to alpha 1A adrenergic receptor
50000902	5	ChEBML_1698197	Inhibition of human cathepsin B
50038575	5	ChEMBL_556746 (CHEMBL959809)	Binding affinity to serotonin uptake transporter
50038575	6	ChEMBL_556747 (CHEMBL959810)	Binding affinity to 5HT5A receptor
50038575	7	ChEMBL_556748 (CHEMBL959811)	Binding affinity to 5HT1B receptor
50038575	8	ChEMBL_556749 (CHEMBL959812)	Binding affinity to dopamine D2 receptor
50038575	9	ChEMBL_556750 (CHEMBL959813)	Binding affinity to dopamine D1 receptor
50038575	10	ChEMBL_556751 (CHEMBL959814)	Binding affinity to 5HT3 receptor
50038575	11	ChEMBL_556752 (CHEMBL959815)	Binding affinity to 5HT1E receptor
50038575	12	ChEMBL_556753 (CHEMBL959816)	Binding affinity to dopamine D5 receptor
50038575	13	ChEMBL_556754 (CHEMBL959817)	Binding affinity to muscarinic M1 receptor
50038575	14	ChEMBL_556755 (CHEMBL959818)	Binding affinity to muscarinic M2 receptor
50038575	15	ChEMBL_556756 (CHEMBL959819)	Binding affinity to muscarinic M3 receptor
50038575	16	ChEMBL_556757 (CHEMBL960608)	Binding affinity to muscarinic M4 receptor
50038575	17	ChEMBL_556758 (CHEMBL960609)	Binding affinity to muscarinic M5 receptor
50038575	18	ChEMBL_556759 (CHEMBL960610)	Binding affinity to histamine H3 receptor
50038575	19	ChEMBL_556760 (CHEMBL960611)	Binding affinity to dopamine uptake transporter
50000902	6	ChEBML_1698200	Inhibition of human cathepsin V
50000902	7	ChEBML_1698173	Inhibition of CYP2C9 in human liver microsomes using MFC as substrate by fluorescence assay
50000902	8	ChEBML_1698199	Inhibition of human cathepsin S
50038575	25	ChEMBL_556761 (CHEMBL961459)	Binding affinity to human 5HT2A receptor expressed in human A549 cells
50038575	26	ChEMBL_556497 (CHEMBL956492)	Binding affinity to 5HT2C receptor
50038575	27	ChEMBL_556734 (CHEMBL959797)	Binding affinity to 5HT6 receptor
50038575	28	ChEMBL_556735 (CHEMBL959798)	Binding affinity to mu opioid receptor
50038575	29	ChEMBL_556736 (CHEMBL959799)	Binding affinity to histamine H1 receptor
50038575	30	ChEMBL_556737 (CHEMBL959800)	Binding affinity to 5HT2B receptor
50038575	31	ChEMBL_556738 (CHEMBL959801)	Binding affinity to kappa opioid receptor
50038575	32	ChEMBL_556741 (CHEMBL959804)	Binding affinity to 5HT7 receptor
50038575	33	ChEMBL_556739 (CHEMBL959802)	Binding affinity to 5HT1A receptor
50038575	34	ChEMBL_556740 (CHEMBL959803)	Binding affinity to dopamine D3 receptor
50038576	1	ChEMBL_556764 (CHEMBL961462)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate
50038576	2	ChEMBL_556765 (CHEMBL961463)	Binding affinity at mu opioid receptor
50000903	1	ChEBML_1698205	Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method
50000903	2	ChEBML_1698204	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method
50038577	1	ChEMBL_556775 (CHEMBL961473)	Binding affinity to human PBR
50038577	2	ChEMBL_556776 (CHEMBL961474)	Displacement of [3H]PK11195 from PBR in rat kidney mitochondrial membrane
50038578	1	ChEMBL_555815 (CHEMBL965675)	Inhibition of rat AChE
50038578	2	ChEMBL_555809 (CHEMBL965669)	Inhibition of human AChE
50038578	3	ChEMBL_552463 (CHEMBL1002723)	Inhibition of Torpedo californica AChE
50038578	4	ChEMBL_552468 (CHEMBL999085)	Inhibition of bovine AChE
50038578	5	ChEMBL_552464 (CHEMBL1002724)	Binding affinity to mouse AChE
50038578	7	ChEMBL_552458 (CHEMBL1002718)	Inhibition of human recombinant BuChE
50038578	8	ChEMBL_552460 (CHEMBL1002720)	Inhibition of fetal bovine serum AChE
50038578	9	ChEMBL_552461 (CHEMBL1002721)	Inhibition of horse BuChE
50038578	12	ChEMBL_552469 (CHEMBL999086)	Binding affinity to electric eel AChE
50038578	13	ChEMBL_552470 (CHEMBL999087)	Binding affinity to human AChE
50038578	14	ChEMBL_555810 (CHEMBL965670)	Inhibition of human BuChE
50038578	15	ChEMBL_555816 (CHEMBL965676)	Inhibition of rat BuChE
50038578	16	ChEMBL_555817 (CHEMBL965677)	Inhibition of mouse BuChE
50000903	3	ChEBML_1698217	Inhibition of CYP3A4 in human liver microsomes using DBF as substrate by fluorescence assay
50038579	1	ChEMBL_556516 (CHEMBL956511)	Inhibition of human recombinant cSrc by ELISA
50038579	2	ChEMBL_556517 (CHEMBL956512)	Inhibition of inducible nitric oxide synthetase in LPS-stimulated mouse ANA1 macrophages
50038580	1	ChEMBL_556862 (CHEMBL964722)	Inhibition of glucocorticoid receptor
50038581	1	ChEMBL_556863 (CHEMBL964723)	Inhibition of bovine lens ALR2 assessed as reduction of D,L-glyceraldehyde by spectrophotometry
50038581	2	ChEMBL_556867 (CHEMBL964727)	Inhibition of ALR2
50038582	1	ChEMBL_552859 (CHEMBL958064)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity assay
50038582	2	ChEMBL_552861 (CHEMBL958066)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity assay
50038582	3	ChEMBL_552863 (CHEMBL958068)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity assay
50038583	1	ChEMBL_552871 (CHEMBL960588)	Inhibition of bovine erythrocyte AChE by Ellman's assay
50038583	2	ChEMBL_552872 (CHEMBL960589)	Inhibition of human erythrocyte AChE by Ellman's assay
50038583	3	ChEMBL_552873 (CHEMBL960590)	Inhibition of human serum BChE by Ellman's assay
50038583	4	ChEMBL_552874 (CHEMBL960591)	Inhibition of rat cortex AChE
50038583	5	ChEMBL_552875 (CHEMBL960592)	Inhibition of rat serum BChE
50038584	1	ChEMBL_508688 (CHEMBL1003053)	Inhibition of AChE by spectrophotometry
50038585	1	ChEMBL_505339 (CHEMBL947715)	Inhibition of rat squalene epoxidase
50000903	4	ChEBML_1698218	Inhibition of CYP2D6 in human liver microsomes using AMMC as substrate by fluorescence assay
50038585	2	ChEMBL_505336 (CHEMBL947712)	Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase without N-terminal putative membrane domain expressed in Escherichia coli
50038585	3	ChEMBL_505337 (CHEMBL947713)	Inhibition of pig squalene epoxidase
50038586	1	ChEMBL_506296 (CHEMBL946507)	Inhibition of xanthine oxidase by spectrophotometry
50038587	1	ChEMBL_506947 (CHEMBL951649)	Inhibition of human 1 unit topoisomerase 2alpha catalytic activity assessed as relaxation of 198 ng supercoiled pBR322 DNA by agarose gel electrophoresis
50038588	1	ChEMBL_508472 (CHEMBL1002151)	Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells
50038588	2	ChEMBL_508468 (CHEMBL1002147)	Displacement of [3H]CFT from human DAT expressed in HEK293 cells
50038589	1	ChEMBL_508505 (CHEMBL1003199)	Binding affinity to biotinylated FGF2 in CHO cells by flow cytometry
50038590	1	ChEMBL_508793 (CHEMBL997061)	Inhibition of mTOR kinase expressed in human HEK293 cells by Western blot analysis
50038591	1	ChEMBL_505498 (CHEMBL945608)	Binding affinity to human wild type NET expressed in african green monkey COS1 cells
50038592	1	ChEMBL_506139 (CHEMBL937902)	Inhibition of Mycobacterium tuberculosis DXR assessed as NADPH-dependent conversion of 1-deoxy-D-xylulose 5-phosphate to 2-C-methyl-D-erythritol 4-phosphate by spectrophotometric method
50038593	1	ChEMBL_507080 (CHEMBL946589)	Inhibition of Saccharomyces cerevisiae NMT
50038594	1	ChEMBL_508148 (CHEMBL1007397)	Blockade of cathepsin G processing in human U937 cells by densitometry
50038594	2	ChEMBL_508157 (CHEMBL1008215)	Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs
50038594	3	ChEMBL_508158 (CHEMBL1008216)	Inhibition of cathepsin G activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs
50038594	4	ChEMBL_508159 (CHEMBL1008217)	Inhibition of proteinase-3 activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs
50038594	5	ChEMBL_508142 (CHEMBL1004879)	Inhibition of proteinase-3 in human U937 cells
50038594	8	ChEMBL_508131 (CHEMBL1004868)	Inhibition of human recombinant cathepsin C after 10 mins
50000903	5	ChEBML_1698219	Inhibition of CYP2C9 in human liver microsomes using MFC as substrate by fluorescence assay
50038595	1	ChEMBL_508178 (CHEMBL1008236)	Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr
50038595	2	ChEMBL_508179 (CHEMBL1008237)	Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr
50038596	1	ChEMBL_533475 (CHEMBL986967)	Inhibition of LPS-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of LPS challenge by one stage clotting assay
50038596	2	ChEMBL_533476 (CHEMBL986968)	Inhibition of IL-1-beta-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of IL1-beta challenge by one stage clotting assay
50038596	3	ChEMBL_508123 (CHEMBL1004860)	Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay
50038596	4	ChEMBL_508124 (CHEMBL1004861)	Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotting assay
50038596	5	ChEMBL_508121 (CHEMBL1004858)	Inhibition of IL-1-beta-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of IL1-beta challenge by one stage clotting assay
50038596	6	ChEMBL_508122 (CHEMBL1004859)	Inhibition of HOSCN-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of HOSCN challenge by one stage clotting assay
50038597	1	ChEMBL_529455 (CHEMBL977778)	Displacement of [3H]U69,593 from kappa opioid receptor in mouse brain tissue
50038598	1	ChEMBL_533704 (CHEMBL973326)	Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry
50038599	1	ChEMBL_533706 (CHEMBL973328)	Inhibition of flag-tagged HDAC4
50038599	2	ChEMBL_533707 (CHEMBL973329)	Inhibition of flag-tagged HDAC3
50038599	3	ChEMBL_533714 (CHEMBL973336)	Inhibition of flag-tagged HDAC4 by pull-down assay
50038599	4	ChEMBL_533715 (CHEMBL973337)	Inhibition of flag-tagged HDAC4 by Biomol assay
50038599	5	ChEMBL_533716 (CHEMBL974269)	Inhibition of flag-tagged HDAC4 expressed in HEK293 cells by Biomol assay
50038599	6	ChEMBL_533717 (CHEMBL974270)	Inhibition of HDAC4 catalytic domain expressed in HEK293 cells by Biomol assay
50038600	1	ChEMBL_534536 (CHEMBL985439)	Inhibition of DPP4 in human plasma by fluorescence assay
50038601	1	ChEMBL_534565 (CHEMBL988126)	Inhibition of human ERG potassium channel
50038602	1	ChEMBL_529843 (CHEMBL967546)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells
50038602	2	ChEMBL_529841 (CHEMBL967544)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells
50038602	3	ChEMBL_529842 (CHEMBL967545)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells
50038603	1	ChEMBL_528526 (CHEMBL972061)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells
50038603	2	ChEMBL_528527 (CHEMBL972062)	Displacement of [3H]MK912 from human recombinant adrenergic alpha2A receptor expressed in Sf9 cells
50038603	3	ChEMBL_528528 (CHEMBL972063)	Displacement of [125I]cyanopindolol from human recombinant adrenergic beta-1 receptor expressed in Rex16 cells
50038603	4	ChEMBL_528529 (CHEMBL972064)	Displacement of [3H]WIN-55212-2 from human CB1 receptor in HEK293 cells
50038603	5	ChEMBL_528530 (CHEMBL972065)	Displacement of [125I]CCK-8 from CCK2 receptor in human FGS7 Jurkat cells
50038603	6	ChEMBL_528531 (CHEMBL972066)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO-K1 cells
50038603	7	ChEMBL_528532 (CHEMBL972067)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells
50038603	8	ChEMBL_528533 (CHEMBL972068)	Displacement of [3H]lysergic acid from human recombinant 5HT7 receptor expressed in CHO cells
50038603	9	ChEMBL_528534 (CHEMBL972069)	Displacement of [3H]SR140333 from human recombinant NK1 receptor expressed in CHO cells
50038603	10	ChEMBL_528445 (CHEMBL977830)	Displacement of [3H]SR48968 from human recombinant NK2 receptor expressed in CHO cells
50038603	11	ChEMBL_528535 (CHEMBL972070)	Inhibition of CYP3A4
50038604	1	ChEMBL_524658 (CHEMBL976722)	Activity at glucocorticoid receptor in human A549 cells assessed as effect on GRE promoter response by luciferase reporter assay
50038606	1	ChEMBL_526511 (CHEMBL975662)	Inhibition of electric eel AChE by Ellman's assay
50038606	2	ChEMBL_526512 (CHEMBL975663)	Inhibition of human AChE by Ellman's assay
50038606	3	ChEMBL_526513 (CHEMBL975664)	Inhibition of horse serum BuChE by Ellman's method
50038607	1	ChEMBL_527248 (CHEMBL972808)	Inhibition of human recombinant PTP1B
50038608	1	ChEMBL_526157 (CHEMBL970953)	Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde formation
50038608	2	ChEMBL_526158 (CHEMBL970954)	Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formation
50038609	1	ChEMBL_526176 (CHEMBL973892)	Inhibition of prolyl endopeptidase
50038609	2	ChEMBL_526174 (CHEMBL973890)	Inhibition of xanthine oxidase
50038610	1	ChEMBL_526583 (CHEMBL979307)	Inhibition of plasmin
50038611	1	ChEMBL_550047 (CHEMBL1003381)	Inhibition of Helicobacter pylori His-tagged ASD assessed as inhibition of phosphorylation of aspartate semialdehyde
50038612	1	ChEMBL_550067 (CHEMBL1003401)	Inhibition of human recombinant DNA topoisomerase1
50038613	1	ChEMBL_547430 (CHEMBL1026720)	Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production
50038613	2	ChEMBL_547431 (CHEMBL1026721)	Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production
50038613	3	ChEMBL_547433 (CHEMBL1026723)	Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins
50038613	4	ChEMBL_547434 (CHEMBL1026724)	Inhibition of sheep placental cotyledons COX2 assessed as PGE2 production preincubated for 10 mins
50038614	2	ChEMBL_547439 (CHEMBL1029254)	Inhibition of sheep placental cotyledons COX2-mediated prostaglandin production
50038615	1	ChEMBL_547369 (CHEMBL1023248)	Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry
50038616	1	ChEMBL_547404 (CHEMBL1025921)	Displacement of [3H]DHT from human serum SHBG
50038617	1	ChEMBL_550732 (CHEMBL1006046)	Inhibition of JNK3-induced transfer of [gamma33P]ATP to biotinylated ATF2 by scintillation proximity assay
50038618	1	ChEMBL_551113 (CHEMBL1007694)	Inhibition of beta-glucosidase
50038618	2	ChEMBL_551115 (CHEMBL1007696)	Inhibition of rat intestinal sucrase
50038618	3	ChEMBL_551116 (CHEMBL1007697)	Inhibition of rat intestinal isomaltase
50038618	4	ChEMBL_551112 (CHEMBL1007693)	Inhibition of alpha-glucosidase
50038619	1	ChEMBL_527328 (CHEMBL972848)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane
50038619	2	ChEMBL_527329 (CHEMBL972849)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane in presence of 0.5 mM GTP
50038619	3	ChEMBL_527330 (CHEMBL972850)	Binding affinity to adenosine A1 receptor
50038620	1	ChEMBL_492352 (CHEMBL948348)	Displacement of [3H]paroxetine from 5HTT
50038620	2	ChEMBL_492351 (CHEMBL948347)	Displacement of [3H]nisoxetine from NET
50038620	3	ChEMBL_492350 (CHEMBL948346)	Displacement of [3H]WIN-35428 from DAT
50038622	1	ChEMBL_487529 (CHEMBL1012281)	Binding affinity to human Cyclophilin A
50038622	2	ChEMBL_487530 (CHEMBL1012282)	Binding affinity to human Cyclophilin B
50038623	1	ChEMBL_487909 (CHEMBL1015728)	Activity at rat recombinant NR1/NR2A receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology
50038623	2	ChEMBL_487911 (CHEMBL1015730)	Activity at rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology
50038623	3	ChEMBL_487914 (CHEMBL1015733)	Activity at rat recombinant NR1/NR2C receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology
50038623	4	ChEMBL_487912 (CHEMBL1015731)	Activity at rat NR1/NR2D receptor expressed in Xenopus oocytes assessed as effect on glutamate-induced current by two voltage clamp electrophysiology
50038624	1	ChEMBL_487935 (CHEMBL1016589)	Inhibition of glutamate-induced depolarization in human EAAT3 expressed in HEK293 cells by FMP assay
50038624	2	ChEMBL_487936 (CHEMBL1016590)	Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells
50038624	3	ChEMBL_487937 (CHEMBL1016591)	Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells
50038624	4	ChEMBL_487938 (CHEMBL1013069)	Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells
50038624	5	ChEMBL_487942 (CHEMBL1013073)	Displacement of [3H]SYM2081 from rat cloned iGluR5
50038624	6	ChEMBL_487943 (CHEMBL1013074)	Displacement of [3H]SYM2081 from rat cloned iGluR6
50038624	7	ChEMBL_487944 (CHEMBL1013075)	Displacement of [3H]SYM2081 from rat cloned iGluR7
50038624	8	ChEMBL_487949 (CHEMBL1013080)	Binding affinity to human cloned mGluR2
50038624	9	ChEMBL_487950 (CHEMBL1013081)	Binding affinity to human cloned mGluR3
50038624	10	ChEMBL_487931 (CHEMBL1016585)	Inhibition of glutamate-induced depolarization in human EAAT1 expressed in HEK293 cells by FMP assay
50038624	11	ChEMBL_487934 (CHEMBL1016588)	Inhibition of glutamate-induced depolarization in human EAAT2 expressed in HEK293 cells by FMP assay
50038625	1	ChEMBL_487957 (CHEMBL1013088)	Displacement of [3H]SYM2081 from rat recombinant iGluR6
50038625	2	ChEMBL_487958 (CHEMBL1013089)	Displacement of [3H]SYM2081 from rat recombinant iGluR7
50038625	3	ChEMBL_487956 (CHEMBL1013087)	Displacement of [3H]SYM2081 from rat recombinant iGluR5
50038625	4	ChEMBL_487962 (CHEMBL1013093)	Activity at mGluR4 assessed as calcium mobilization by FLIPR
50038625	5	ChEMBL_487959 (CHEMBL1013090)	Activity at rat mGluR1 expressed in HEK293 cells assessed as calcium mobilization by FLIPR
50038625	6	ChEMBL_487960 (CHEMBL1013091)	Activity at rat mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR
50038625	7	ChEMBL_487961 (CHEMBL1013092)	Activity at rat mGluR2 expressed in CHO cells assessed as calcium mobilization by FLIPR
50038625	8	ChEMBL_487965 (CHEMBL1013096)	Binding affinity to rat cloned KA1 receptor
50038625	9	ChEMBL_487963 (CHEMBL1013094)	Displacement of [3H]LY43915 from rat mGluR2 expressed in CHO cells by SPA
50038625	10	ChEMBL_487964 (CHEMBL1013095)	Displacement of [3H]LY43915 from rat mGluR3 expressed in CHO cells by SPA
50038625	11	ChEMBL_487966 (CHEMBL1013097)	Binding affinity to rat cloned KA2 receptor
50038626	1	ChEMBL_487988 (CHEMBL1013119)	Inhibition of human c-RAF at 10 uM
50038626	2	ChEMBL_488011 (CHEMBL1013890)	Inhibition of JNK2alpha1
50038626	3	ChEMBL_488009 (CHEMBL1013888)	Inhibition of p38alpha
50038627	1	ChEMBL_488494 (CHEMBL991027)	Inhibition of HSV1 DNA polymerase by scintillation proximity assay
50038628	1	ChEMBL_488566 (CHEMBL982881)	Inhibition of human GSK3-beta
50038629	1	ChEMBL_488618 (CHEMBL984844)	Inhibition of GSK3-beta
50038629	2	ChEMBL_488619 (CHEMBL985653)	Inhibition of GSK3alpha
50038630	1	ChEMBL_490516 (CHEMBL981122)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells
50038630	2	ChEMBL_490517 (CHEMBL981123)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells
50038631	1	ChEMBL_490822 (CHEMBL993561)	Inhibition of rat intestinal brush border membrane maltase
50038631	2	ChEMBL_490824 (CHEMBL993563)	Inhibition of rat intestinal brush border membrane isomaltase
50038631	3	ChEMBL_490826 (CHEMBL993565)	Inhibition of rat intestinal brush border membrane sucrase
50038631	4	ChEMBL_490828 (CHEMBL993567)	Inhibition of human lysosomal alpha-glucosidase
50038631	5	ChEMBL_490830 (CHEMBL993569)	Inhibition of human lysosomal beta-glucosidase
50038631	6	ChEMBL_490834 (CHEMBL993573)	Inhibition of rabbit muscle amylo-1,6-glucosidase
50038631	7	ChEMBL_490840 (CHEMBL993579)	Inhibition of maltase in human Caco-2 cell model system after 2 hrs
50038631	8	ChEMBL_490843 (CHEMBL993582)	Inhibition of liver glycogen phosphorylase A
50038631	9	ChEMBL_491004 (CHEMBL982155)	Inhibition of amylo-1,6-glucosidase
50038632	1	ChEMBL_489288 (CHEMBL990844)	Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells
50038632	2	ChEMBL_489287 (CHEMBL990843)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells
50038632	3	ChEMBL_489289 (CHEMBL990845)	Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells
50038632	4	ChEMBL_489290 (CHEMBL990846)	Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells
50038632	5	ChEMBL_489291 (CHEMBL990847)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells
50038632	6	ChEMBL_489292 (CHEMBL990848)	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells
50038632	7	ChEMBL_489293 (CHEMBL990849)	Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells
50038632	8	ChEMBL_489295 (CHEMBL990851)	Binding affinity to human alpha4beta2 nAChR expressed in human SHEP1 cells
50038633	1	ChEMBL_489480 (CHEMBL983744)	Inhibition of Toxoplasma gondii thymidylate synthase
50038633	2	ChEMBL_489491 (CHEMBL983757)	Inhibition of human dihydrofolate reductase
50038633	3	ChEMBL_489499 (CHEMBL983765)	Inhibition of Toxoplasma gondii dihydrofolate reductase
50038633	4	ChEMBL_489468 (CHEMBL983732)	Inhibition of Escherichia coli thymidylate synthase
50038633	5	ChEMBL_489457 (CHEMBL982939)	Inhibition of human thymidylate synthase
50038633	6	ChEMBL_489505 (CHEMBL986428)	Inhibition of rat liver DHFR using dihydrofolic acid substrate and NADPH cofactor
50038634	1	ChEMBL_489537 (CHEMBL986460)	Displacement of [3H]RAMH from human histamine H3 receptor expressed in CHO cells
50038634	2	ChEMBL_489539 (CHEMBL986462)	Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgammaS assay
50038635	1	ChEMBL_489763 (CHEMBL989246)	Inhibition of human recombinant ALDH2
50038636	1	ChEMBL_490632 (CHEMBL984753)	Inhibition of human GST-tagged CARM1 by methylation assay
50038636	2	ChEMBL_490633 (CHEMBL984754)	Inhibition of GST-tagged PRMT1 by methylation assay
50038636	3	ChEMBL_490634 (CHEMBL984755)	Inhibition of GST-tagged PRMT3 by methylation assay
50038637	1	ChEMBL_490890 (CHEMBL989166)	Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR
50038638	1	ChEMBL_490896 (CHEMBL989172)	Binding affinity to human NOP receptor
50038638	2	ChEMBL_490897 (CHEMBL989173)	Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay
50038638	3	ChEMBL_490893 (CHEMBL989169)	Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells
50038638	4	ChEMBL_490894 (CHEMBL989170)	Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038639	1	ChEMBL_513860 (CHEMBL970754)	Inhibition of rat FAAH expressed in Escherichia coli
50038639	2	ChEMBL_513861 (CHEMBL970755)	Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0
50038639	3	ChEMBL_513867 (CHEMBL970761)	Inhibition of KIAA1363 hydrolase
50038639	4	ChEMBL_513864 (CHEMBL970758)	Inhibition of human recombinant FAAH expressed in african green monkey COS7 cells
50038639	5	ChEMBL_513868 (CHEMBL970762)	Inhibition of TGH
50038639	6	ChEMBL_513862 (CHEMBL970756)	Inhibition of rat FAAH expressed in Escherichia coli at pH 8.0
50038639	7	ChEMBL_513863 (CHEMBL970757)	Inhibition of rat FAAH expressed in Escherichia coli at pH 7.4
50038640	1	ChEMBL_514280 (CHEMBL979110)	Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay
50038640	2	ChEMBL_514281 (CHEMBL979111)	Inhibition of human recombinant soluble adenylyl cyclase
50038641	1	ChEMBL_514528 (CHEMBL968882)	Inhibition of rat NTPDase 1
50038641	2	ChEMBL_514529 (CHEMBL968883)	Inhibition of rat NTPDase 2
50038641	3	ChEMBL_514295 (CHEMBL979125)	Inhibition of human NTPDase 8 expressed in COS7 cells
50038641	4	ChEMBL_514535 (CHEMBL968889)	Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced intracellular calcium mobilization by FLUOstar plate reader
50038641	5	ChEMBL_514536 (CHEMBL968890)	Antagonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced intracellular calcium mobilization by FLUOstar plate reader
50038641	6	ChEMBL_514537 (CHEMBL968891)	Antagonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization by NOVOstar plate reader
50038641	7	ChEMBL_514542 (CHEMBL968896)	Inhibition of human NTPDase 2 expressed in HEK293 cells assessed as residual activity by capillary electrophoresis
50038641	8	ChEMBL_514292 (CHEMBL979122)	Inhibition of human NTPDase 2 expressed in HEK293 cells
50038641	9	ChEMBL_514290 (CHEMBL979120)	Inhibition of human NTPDase 1 expressed in COS7 cells
50038641	10	ChEMBL_514539 (CHEMBL968893)	Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization by NOVOstar plate reader
50038642	1	ChEMBL_513609 (CHEMBL967913)	Binding affinity to human adenosine A2A receptor
50038642	2	ChEMBL_509567 (CHEMBL1000453)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane
50038642	3	ChEMBL_509569 (CHEMBL1000455)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane
50038642	4	ChEMBL_509571 (CHEMBL1000457)	Displacement of [3H]MRS1754 from human adenosine A2B receptor expressed in CHO cell membrane
50038642	5	ChEMBL_509573 (CHEMBL1000459)	Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cell membrane
50038643	1	ChEMBL_513621 (CHEMBL970712)	Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig brain membrane
50038643	2	ChEMBL_513622 (CHEMBL970713)	Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane
50038643	4	ChEMBL_513629 (CHEMBL970720)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038643	6	ChEMBL_513633 (CHEMBL970724)	Binding affinity to guinea pig mu opioid receptor
50038643	7	ChEMBL_513634 (CHEMBL970725)	Binding affinity to guinea pig kappa opioid receptor
50000907	3	ChEMBL_1698238 (CHEMBL4049128)	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50000907	1	ChEBML_1698238	Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50038645	1	ChEMBL_514380 (CHEMBL967994)	Inhibition of Electrophorus electricus AChE by spectrophotometry
50038645	2	ChEMBL_514381 (CHEMBL967995)	Inhibition of human erythrocyte AChE by Ellman's method
50038645	3	ChEMBL_514382 (CHEMBL967996)	Inhibition of human serum BuChE by Ellman's method
50038645	4	ChEMBL_514384 (CHEMBL970795)	Inhibition of Electrophorus electricus AChE by Ellman's method
50038646	1	ChEMBL_514689 (CHEMBL976461)	Inhibition of human recombinant CA5B by CO2 hydration assay
50038646	2	ChEMBL_514686 (CHEMBL976458)	Inhibition of human cloned CA1 by CO2 hydration assay
50038646	3	ChEMBL_514688 (CHEMBL976460)	Inhibition of human recombinant CA5A by CO2 hydration assay
50038646	4	ChEMBL_514687 (CHEMBL976459)	Inhibition of human cloned CA2 by CO2 hydration assay
50038647	1	ChEMBL_514433 (CHEMBL974620)	Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50038647	2	ChEMBL_514432 (CHEMBL974619)	Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50000907	8	ChEMBL_1698235 (CHEMBL4049125)	Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method
50000907	2	ChEBML_1698236	Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method
50000907	4	ChEMBL_1698239 (CHEMBL4049129)	Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50038647	4	ChEMBL_514755 (CHEMBL977254)	Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50038648	1	ChEMBL_514846 (CHEMBL971750)	Inhibition of B-Raf by fluorescence anisotropy binding assay
50038648	2	ChEMBL_514847 (CHEMBL971751)	Inhibition of B-Raf-mediated phosphorylation of MEK1 in mouse 3T3 cells after 2 hrs
50038649	1	ChEMBL_509980 (CHEMBL1005573)	Agonist activity at human CB1 receptor expressed in CHO cells by [35S]GTPgammaS assay
50038649	2	ChEMBL_509983 (CHEMBL1005576)	Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS assay
50038649	3	ChEMBL_509991 (CHEMBL1005584)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHOK1 cells by liquid scintillation counting
50038650	1	ChEMBL_510091 (CHEMBL998745)	Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells
50038650	2	ChEMBL_510092 (CHEMBL998746)	Inhibition of serotonin uptake at human SERT expressed in HEK293 cells
50038650	3	ChEMBL_510093 (CHEMBL998747)	Inhibition of dopamine uptake at human DAT expressed in HEK293 cells
50038650	4	ChEMBL_510094 (CHEMBL998748)	Inhibition of recombinant CYP32D6
50038651	1	ChEMBL_510097 (CHEMBL998751)	Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells
50038651	2	ChEMBL_510098 (CHEMBL998752)	Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation
50038652	1	ChEMBL_510248 (CHEMBL1008161)	Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutinination assay
50038652	2	ChEMBL_510247 (CHEMBL1005625)	Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutinination assay
50038652	3	ChEMBL_510244 (CHEMBL1005622)	Binding affinity to galectin 1
50038652	4	ChEMBL_510245 (CHEMBL1005623)	Binding affinity to galectin 3
50038652	5	ChEMBL_510246 (CHEMBL1005624)	Inhibition of galectin 3
50038653	4	ChEMBL_510416 (CHEMBL1003092)	Binding affinity to CDK2
50038653	5	ChEMBL_510417 (CHEMBL1003093)	Inhibition of EGFR
50038653	6	ChEMBL_510661 (CHEMBL1003141)	Inhibition of p60 c-Src
50038654	1	ChEMBL_510421 (CHEMBL1003097)	Inhibition of human EGFR
50038655	1	ChEMBL_510466 (CHEMBL1006407)	Inhibition of mouse recombinant GARFTase
50038655	2	ChEMBL_510467 (CHEMBL1006408)	Inhibition of GARFTase in human KB cells assessed as inhibition of [14C]glycine incorporation into [14C]formylGAR in presence of azaserine
50038656	1	ChEMBL_510470 (CHEMBL1006411)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells
50038656	2	ChEMBL_510471 (CHEMBL1006412)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells
50038657	1	ChEMBL_510483 (CHEMBL1006424)	Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level
50038657	2	ChEMBL_510484 (CHEMBL1006425)	Agonist activity at rat recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level
50038657	3	ChEMBL_510487 (CHEMBL1006428)	Binding affinity to CB2 receptor
50038657	4	ChEMBL_510488 (CHEMBL1006429)	Binding affinity to CB1 receptor
50038657	5	ChEMBL_510479 (CHEMBL1006420)	Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level
50038657	6	ChEMBL_510480 (CHEMBL1006421)	Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level
50038657	7	ChEMBL_510475 (CHEMBL1006416)	Agonist activity at human CB1 receptor expressed in Sf9 cells by GTP-europium binding assay
50038657	8	ChEMBL_510476 (CHEMBL1006417)	Agonist activity at human recombinant CB2 receptor expressed in Sf9 cells by GTP-europium binding assay
50003290	2	ChEMBL_1802726 (CHEMBL4275018)	Inhibition of Escherichia coli ParE
50003290	1	ChEMBL_1802725 (CHEMBL4275017)	Inhibition of Escherichia coli GyrB (1 to 220 residues) expressed in Escherichia coli BL21(DE3)
50038658	2	ChEMBL_510819 (CHEMBL998838)	Inhibition of human PDE6C
50038659	1	ChEMBL_511829 (CHEMBL969892)	Inhibition of bovine COX1
50038659	2	ChEMBL_511831 (CHEMBL969894)	Inhibition of human COX2
50000908	1	ChEMBL_1698247 (CHEMBL4049137)	Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50038660	1	ChEMBL_511133 (CHEMBL999604)	Inhibition of GST-tagged PDE4A
50038660	2	ChEMBL_511400 (CHEMBL1003881)	Inhibition of human PDE4A
50038660	3	ChEMBL_511401 (CHEMBL1003882)	Inhibition of human PDE4B
50038660	4	ChEMBL_511402 (CHEMBL1003883)	Inhibition of human PDE4C
50038660	5	ChEMBL_511180 (CHEMBL1000429)	Inhibition of human PDE4D
50038660	6	ChEMBL_511157 (CHEMBL1000406)	Inhibition of PDE4B
50038660	7	ChEMBL_511179 (CHEMBL1000428)	Inhibition of PDE3A
50038660	8	ChEMBL_511380 (CHEMBL1007304)	Inhibition of PDE4D
50038660	9	ChEMBL_511381 (CHEMBL1007305)	Inhibition of CYP2C9
50038660	10	ChEMBL_511386 (CHEMBL1007310)	Antagonist activity at muscarinic M3 receptor
50038660	11	ChEMBL_511117 (CHEMBL1001316)	Inhibition of human PDE4B1 in cytosolic fraction of lung
50038660	12	ChEMBL_511118 (CHEMBL1001317)	Inhibition of human PDE4B1 in particular fraction of lung
50038660	13	ChEMBL_511119 (CHEMBL1001318)	Inhibition of human PDE4B2 in cytosolic fraction of lung
50038660	14	ChEMBL_511120 (CHEMBL1001319)	Inhibition of human PDE4B2 in particular fraction of lung
50038660	15	ChEMBL_511121 (CHEMBL1001321)	Inhibition of human PDE4B3 in cytosolic fraction of lung
50038660	16	ChEMBL_511122 (CHEMBL1001322)	Inhibition of human PDE4B3 in particular fraction of lung
50038660	17	ChEMBL_511124 (CHEMBL999595)	Inhibition of human PDE4D1 in cytosolic fraction of lung
50038660	18	ChEMBL_511125 (CHEMBL999596)	Inhibition of human PDE4D2 in cytosolic fraction of lung
50038660	19	ChEMBL_511127 (CHEMBL999598)	Inhibition of human PDE4D3 in particular fraction of lung
50038660	20	ChEMBL_511126 (CHEMBL999597)	Inhibition of human PDE4D3 in cytosolic fraction of lung
50038660	21	ChEMBL_511128 (CHEMBL999599)	Inhibition of human PDE4D4 in cytosolic fraction of lung
50038660	22	ChEMBL_511129 (CHEMBL999600)	Inhibition of human PDE4D4 in particular fraction of lung
50038660	23	ChEMBL_511130 (CHEMBL999601)	Inhibition of human PDE4D5 in cytosolic fraction of lung
50038660	24	ChEMBL_511131 (CHEMBL999602)	Inhibition of human PDE4D5 in particular fraction of lung
50038661	1	ChEMBL_511445 (CHEMBL1003926)	Binding affinity to Mycobacterium tuberculosis recombinant MbtA using saturated levels of salicylic acid substrate by isothermal calorimetry
50038662	1	ChEMBL_554441 (CHEMBL953930)	Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1 dye reduction assay
50038663	1	ChEMBL_555519 (CHEMBL963779)	Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinflammatory gene expression after 24 hrs by beta-galactosidase assay
50038663	2	ChEMBL_555521 (CHEMBL963781)	Inhibition of glucocorticoid receptor-glucocorticoid complex transfected in rat R1 cells assessed as down-regulation of TPA-responsive element proinflammatory gene expression at 10 uM after 24 hrs by beta-galactosidase assay
50038664	1	ChEMBL_553589 (CHEMBL958772)	Inhibition of CYP1A1
50038664	2	ChEMBL_553590 (CHEMBL958773)	Inhibition of CYP2C8
50038664	3	ChEMBL_553591 (CHEMBL958774)	Inhibition of CYP3A4
50038664	4	ChEMBL_553585 (CHEMBL958768)	Inhibition of aromatase by radiometric method
50038664	5	ChEMBL_553586 (CHEMBL958769)	Inhibition of aromatase by fluorimetric high throughput method
50038664	6	ChEMBL_553587 (CHEMBL958770)	Inhibition of aromatase by fluorimetric method
50038664	7	ChEMBL_553588 (CHEMBL958771)	Inhibition of aromatase
50038665	1	ChEMBL_553966 (CHEMBL965384)	Inhibition of progesterone receptor mediated progesterone-induced alkaline phosphatase activity in human T47D cells
50038665	2	ChEMBL_553967 (CHEMBL965385)	Antagonist activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells
50038665	4	ChEMBL_553970 (CHEMBL965388)	Antagonist activity at cloned androgen receptor-ligand binding domain expressed in african green monkey COS7 cells by two hybrid luciferase assay
50038665	5	ChEMBL_553971 (CHEMBL965389)	Antagonist activity at cloned glucocorticoid receptor-ligand binding domain expressed in african green monkey COS7 cells by GAL4 luciferase reporter assay
50038665	6	ChEMBL_553972 (CHEMBL965390)	Antagonist activity at cloned mineralocorticoid receptor-ligand binding domain expressed in african green monkey COS7 cells by GAL4 luciferase reporter assay
50038666	1	ChEMBL_555026 (CHEMBL958789)	Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol
50038666	2	ChEMBL_555024 (CHEMBL957999)	Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol
50038666	3	ChEMBL_555345 (CHEMBL954745)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol
50038667	1	ChEMBL_555396 (CHEMBL964793)	Binding affinity to human L-FABP
50038667	2	ChEMBL_555395 (CHEMBL964792)	Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay
50038667	3	ChEMBL_555397 (CHEMBL964794)	Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP
50038667	4	ChEMBL_555399 (CHEMBL964796)	Binding affinity to L-FABP high binding affinity site by titration calorimetry method
50038667	5	ChEMBL_555400 (CHEMBL964797)	Binding affinity to L-FABP low binding affinity site by titration calorimetry method
50038667	6	ChEMBL_555398 (CHEMBL964795)	Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay
50038668	1	ChEMBL_491119 (CHEMBL991887)	Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor
50038668	2	ChEMBL_491122 (CHEMBL991890)	Binding affinity to GABAA alpha-2-beta-3-gamma-2 receptor
50038668	3	ChEMBL_491123 (CHEMBL991891)	Binding affinity to GABAA alpha-3-beta-3-gamma-2 receptor
50038668	4	ChEMBL_491124 (CHEMBL991892)	Binding affinity to GABAA alpha-4-beta-3-gamma-2 receptor
50038668	5	ChEMBL_491432 (CHEMBL948527)	Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor
50038668	6	ChEMBL_491125 (CHEMBL991893)	Binding affinity to GABAA alpha-6-beta-3-gamma-2 receptor
50038668	7	ChEMBL_491431 (CHEMBL948526)	Binding affinity to GABAA alpha-1-beta-3-gamma-2 receptor
50038668	8	ChEMBL_491127 (CHEMBL991895)	Activity at GABAA alpha-1-beta-3-gamma-2 receptor expressed in Xenopus oocytes assessed as inhibition of GABA-induced current by voltage clamp assay
50038668	9	ChEMBL_491147 (CHEMBL992835)	Activity at alpha-2-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay
50038668	10	ChEMBL_491428 (CHEMBL948523)	Activity at alpha-4-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay
50038668	11	ChEMBL_491429 (CHEMBL948524)	Activity at alpha-5-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay
50038668	12	ChEMBL_491430 (CHEMBL948525)	Activity at alpha-6-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay
50038668	13	ChEMBL_491118 (CHEMBL991886)	Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor
50038668	14	ChEMBL_491120 (CHEMBL991888)	Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system
50038668	15	ChEMBL_491121 (CHEMBL991889)	Displacement of [3H]Ro15-4513 from GABAA alpha-5-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system
50038669	1	ChEMBL_491801 (CHEMBL938673)	Inhibition of Torpedo californica AchE activity by Ellman's assay
50038670	4	ChEMBL_491871 (CHEMBL946208)	Inhibition of norepinephrine uptake at human cloned NET
50038670	5	ChEMBL_491872 (CHEMBL946209)	Inhibition of serotonin uptake at human cloned SERT
50038670	6	ChEMBL_491873 (CHEMBL946403)	Inhibition of dopamine uptake at human cloned DAT
50038671	1	ChEMBL_491203 (CHEMBL992799)	Displacement of [125I][LTT]SRIF28 from human cloned sst4 receptor by autoradiography
50038671	2	ChEMBL_491204 (CHEMBL992800)	Displacement of [125I][LTT]SRIF28 from human cloned sst5 receptor by autoradiography
50038671	3	ChEMBL_491199 (CHEMBL992795)	Binding affinity to human cloned sst2 receptor
50038671	4	ChEMBL_491198 (CHEMBL992794)	Binding affinity to human cloned sst3 receptor
50038671	5	ChEMBL_491205 (CHEMBL992801)	Binding affinity to human cloned sst5 receptor
50038671	6	ChEMBL_491200 (CHEMBL992796)	Displacement of [125I][LTT]SRIF28 from human cloned sst1 receptor by autoradiography
50038671	7	ChEMBL_491201 (CHEMBL992797)	Displacement of [125I][LTT]SRIF28 from human cloned sst2 receptor by autoradiography
50038671	8	ChEMBL_491202 (CHEMBL992798)	Displacement of [125I][LTT]SRIF28 from human cloned sst3 receptor by autoradiography
50038672	1	ChEMBL_491529 (CHEMBL937799)	Inhibition of rat intestinal maltase
50038672	2	ChEMBL_491530 (CHEMBL937800)	Inhibition of rat intestinal sucrase
50038672	3	ChEMBL_491531 (CHEMBL937801)	Inhibition of rat intestinal isomaltase
50038673	1	ChEMBL_491608 (CHEMBL945184)	Inhibition of serotonin uptake at human SERT in human HEK293 cells
50038673	2	ChEMBL_491607 (CHEMBL945183)	Inhibition of dopamine uptake at human DAT in human HEK293 cells
50038673	3	ChEMBL_491606 (CHEMBL945182)	Inhibition of CYP2D6
50038673	4	ChEMBL_491609 (CHEMBL945185)	Inhibition of norepinephrine uptake at human NET in human HEK293 cells
50038674	1	ChEMBL_487344 (CHEMBL1021870)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells in presence of 3% human serum albumin
50038674	2	ChEMBL_487348 (CHEMBL1021874)	Inhibition of 11beta-HSD2 by scintillation proximity assay
50038674	3	ChEMBL_487347 (CHEMBL1021873)	Inhibition of 11beta-HSD1 in human adipocytes
50038674	4	ChEMBL_487343 (CHEMBL1021869)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells
50038674	5	ChEMBL_487342 (CHEMBL1021868)	Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay
50038676	1	ChEMBL_491617 (CHEMBL945388)	Agonist activity at GHS receptor
50038677	1	ChEMBL_491985 (CHEMBL951535)	Inhibition of human PTP1B expressed in Escherichia coli BL21(DE3) cells
50038678	1	ChEMBL_535114 (CHEMBL983677)	Activity at progesterone receptor assessed as alkaline phosphatase activity in human T47D cells
50038678	2	ChEMBL_535115 (CHEMBL983678)	Antagonist activity at progesterone receptor assessed as progesterone-induced alkaline phosphatase activity in human T47D cells
50038678	3	ChEMBL_535116 (CHEMBL983679)	Displacement of [3H]progesterone from progesterone receptor in human T47D cells
50038678	4	ChEMBL_535117 (CHEMBL983680)	Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay
50038678	5	ChEMBL_535118 (CHEMBL983681)	Antagonist activity at androgen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay
50038678	6	ChEMBL_535119 (CHEMBL983682)	Antagonist activity at glucocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay
50038678	7	ChEMBL_535120 (CHEMBL983683)	Antagonist activity at mineralocorticoid receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay
50038679	1	ChEMBL_535290 (CHEMBL982615)	Inhibition of human CYP2D6 by fluorescence technique in presence of NADP
50038679	2	ChEMBL_535291 (CHEMBL982616)	Inhibition of human CYP1A2
50038679	3	ChEMBL_535292 (CHEMBL982617)	Inhibition of human CYP2C9
50038679	4	ChEMBL_535293 (CHEMBL982618)	Inhibition of human CYP2C19
50038679	5	ChEMBL_535294 (CHEMBL982619)	Inhibition of human CYP3A4
50038679	6	ChEMBL_535295 (CHEMBL982620)	Antagonist activity at CCR3 receptor expressed in mouse B300-19 cells assessed as inhibition of eotaxin-induced calcium influx by spectrophotometry
50038680	1	ChEMBL_535414 (CHEMBL984443)	Displacement of [3H]ketanserine from 5HT2A receptor
50038680	2	ChEMBL_535410 (CHEMBL984439)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane
50038680	3	ChEMBL_535411 (CHEMBL984440)	Displacement of [3H]paroxetine from SERT in human platelet membrane
50038681	1	ChEMBL_535516 (CHEMBL986142)	Inhibition of norepinephrine uptake at human NET expressed in MDCK cells
50038681	2	ChEMBL_535517 (CHEMBL986143)	Inhibition of serotonin uptake at human SERT expressed in JAR cells
50038682	1	ChEMBL_535790 (CHEMBL991555)	Displacement of [125I]apamin from Kca2.2 channel expressed in HEK293 cells
50038682	2	ChEMBL_535547 (CHEMBL986173)	Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay
50038682	3	ChEMBL_535548 (CHEMBL986174)	Inhibition of Kca2.1 channel expressed in HEK293 cells by thallium flux assay
50038682	4	ChEMBL_535549 (CHEMBL986175)	Inhibition of Kca2.2 channel expressed in HEK293 cells by thallium flux assay
50038682	5	ChEMBL_535544 (CHEMBL986170)	Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay
50038682	6	ChEMBL_535545 (CHEMBL986171)	Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay
50038683	1	ChEMBL_535587 (CHEMBL987061)	Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression
50038684	1	ChEMBL_535642 (CHEMBL987970)	Inhibition of human aromatase by fluorometric assay
50038684	2	ChEMBL_535643 (CHEMBL987971)	Inhibition of aromatase expressed in human H295R cells
50038684	3	ChEMBL_535644 (CHEMBL987972)	Inhibition of human aromatase expressed in CHO cells
50038685	1	ChEMBL_535787 (CHEMBL991552)	Inhibition of human recombinant CDC25B
50038685	2	ChEMBL_535776 (CHEMBL991541)	Inhibition of human recombinant fused MBP-CDC25B3
50038686	1	ChEMBL_535889 (CHEMBL995009)	Activity at human mGluR4 expressed in CHO coexpressing Gqi5 assessed as potentiation of glutamate-induced calcium flux by fluorescence assay
50038686	2	ChEMBL_535892 (CHEMBL983533)	Antagonist activity at rat mGluR1 expressed in Syrian golden hamster BHK cells assessed as potentiation of glutamate-induced calcium flux by fluorescence assay
50038686	3	ChEMBL_535888 (CHEMBL995008)	Activity at rat mGluR5 expressed in HEK cells assessed as potentiation of glutamate-induced calcium flux by fluorescence assay
50038687	1	ChEMBL_535894 (CHEMBL983535)	Inhibition of amyloid beta42 fibril formation by thioflavin T formation
50038688	1	ChEMBL_536378 (CHEMBL991599)	Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells
50038688	3	ChEMBL_536383 (CHEMBL992454)	Displacement of [3H]SR48692 from wild type human NTR1 expressed in HEK293 cells
50038690	1	ChEMBL_537143 (CHEMBL989803)	Displacement of [3H]nociceptin from rat ORL1 receptor expressed in african green monkey COS7 cells
50038690	2	ChEMBL_537144 (CHEMBL989804)	Activation of rat ORL1 receptor expressed in african green monkey COS7 cells by [35S]GTPgammaS binding assay
50038691	1	ChEMBL_537397 (CHEMBL992587)	Inhibition of human Syk expressed in Sf9 cells
50038691	2	ChEMBL_537398 (CHEMBL992588)	Inhibition of human ZAP70 expressed in Sf9 cells
50038692	1	ChEMBL_537411 (CHEMBL992601)	Inhibition of candida albicans isocitrate lyase
50038693	1	ChEMBL_537686 (CHEMBL993480)	Agonist activity at kappa opioid receptor in ddy mouse vas deferens assessed as inhibition of electric stimulation-induced contraction
50038693	2	ChEMBL_537699 (CHEMBL994162)	Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electric stimulation-induced contraction
50038694	1	ChEMBL_537932 (CHEMBL983517)	Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-Dawley rat cerebral cortex membrane by liquid scintillation counting
50038695	1	ChEMBL_536729 (CHEMBL981834)	Inhibition of rat TrxR1
50038695	2	ChEMBL_536730 (CHEMBL981835)	Inhibition of rat TrxR2
50038696	1	ChEMBL_536731 (CHEMBL984525)	Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane
50038696	2	ChEMBL_536732 (CHEMBL984526)	Inhibition of 5-HT transporter-mediated [3H]5HT uptake in human Jar cells
50038696	3	ChEMBL_536734 (CHEMBL984528)	Activity at human cloned 5HT1A receptor expressed in CHO cells assessed as blockade of 5-HT-stimulated [35S]GTPgammaS binding
50038696	4	ChEMBL_536733 (CHEMBL984527)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells
50038697	1	ChEMBL_537531 (CHEMBL987100)	Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells by luciferase based reporter gene assay
50038698	1	ChEMBL_537763 (CHEMBL994216)	Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells
50038698	2	ChEMBL_537765 (CHEMBL994218)	Displacement of [3H]mesulergine from 5HT2C receptor
50038698	3	ChEMBL_537766 (CHEMBL994219)	Displacement of [3H]spiperone from dopamine D2 receptor
50038698	4	ChEMBL_537767 (CHEMBL989012)	Displacement of [3H]paroxitine from SERT
50038698	5	ChEMBL_537768 (CHEMBL989013)	Displacement of [3H]nisoxitine from NET
50038699	1	ChEMBL_536820 (CHEMBL988084)	Inhibition of Escherichia coli DHDPS
50038699	2	ChEMBL_536821 (CHEMBL988085)	Inhibition of Bacillus subtilis DHDPS
50038700	1	ChEMBL_560908 (CHEMBL1013543)	Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay
50038700	2	ChEMBL_560913 (CHEMBL1013548)	Binding affinity to galectin 7 at 0 degC by fluorescence polarization assay
50038700	3	ChEMBL_560904 (CHEMBL1013539)	Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay
50038700	4	ChEMBL_560905 (CHEMBL1013540)	Binding affinity to galectin 3 at 20 degC by fluorescence polarization assay
50038700	5	ChEMBL_560906 (CHEMBL1013541)	Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay
50038700	6	ChEMBL_560907 (CHEMBL1013542)	Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay
50038701	1	ChEMBL_560973 (CHEMBL1014420)	Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by cell-free assay
50038701	2	ChEMBL_560974 (CHEMBL1014421)	Inhibition of human recombinant 5-LO expressed in Escherichia coli by cell-free assay
50038701	3	ChEMBL_561225 (CHEMBL1012771)	Inhibition of 5-LO in PMNL cells
50038701	4	ChEMBL_561223 (CHEMBL1012769)	Inhibition of mPGES1 in human A549 cells assessed as inhibition of IL-1-beta-induced PGE2 formation by cell-intact assay
50038701	5	ChEMBL_560977 (CHEMBL1014424)	Inhibition of ovine COX1
50038701	6	ChEMBL_561220 (CHEMBL1012766)	Inhibition of human recombinant COX2
50038701	7	ChEMBL_561227 (CHEMBL1012773)	Inhibition of mPGES1
50038702	1	ChEMBL_561975 (CHEMBL1010038)	Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells
50000909	1	ChEMBL_1698298 (CHEMBL4049188)	Agonist activity at human MC3R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTRF method
50038702	4	ChEMBL_561975 (CHEMBL1010038)	Displacement of europium-labeled galanin from human GalR2 expressed in CHO-K1 cells
50038702	5	ChEMBL_561971 (CHEMBL1010034)	Binding affinity to human GalR3
50038703	1	ChEMBL_557686 (CHEMBL962981)	Inhibition of recombinant PLA2g7 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe
50038703	2	ChEMBL_557946 (CHEMBL963044)	Inhibition of recombinant FAAH transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe
50038703	3	ChEMBL_557683 (CHEMBL962978)	Inhibition of recombinant BAT5 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe
50038703	4	ChEMBL_557684 (CHEMBL962979)	Inhibition of recombinant ABHD12 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe
50038703	5	ChEMBL_557685 (CHEMBL962980)	Inhibition of recombinant KIAA1363 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe
50038703	6	ChEMBL_557687 (CHEMBL962982)	Inhibition of human recombinant DAGLalpha overexpressed in african green monkey COS7 cells
50038703	7	ChEMBL_557688 (CHEMBL962983)	Inhibition of human recombinant DAGLbeta overexpressed in african green monkey COS7 cells
50000909	2	ChEMBL_1698300 (CHEMBL4049190)	Agonist activity at human MC4R expressed in high doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 15 mins by HTRF method
50038704	1	ChEMBL_557942 (CHEMBL963040)	Initial binding affinity to wild type human PNP
50038704	2	ChEMBL_557943 (CHEMBL963041)	Equilibrium binding affinity to wild type human PNP
50038705	1	ChEMBL_558160 (CHEMBL961629)	Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method
50038706	1	ChEMBL_558178 (CHEMBL962312)	Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells
50038706	2	ChEMBL_558180 (CHEMBL962314)	Inhibition of serotonin uptake at human SERT expressed in JAR cells
50038706	3	ChEMBL_558185 (CHEMBL962319)	Displacement of [3H]WIN-35428 from human recombinant DAT expressed in CHO cells
50038707	1	ChEMBL_559163 (CHEMBL1012108)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum
50038707	2	ChEMBL_559164 (CHEMBL1012109)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum
50038707	3	ChEMBL_559165 (CHEMBL1012110)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum
50038708	1	ChEMBL_559402 (CHEMBL1017256)	Inhibition of recombinant PTP1B
50038709	1	ChEMBL_559691 (CHEMBL1010089)	Inhibition of Mycobacterium tuberculosis FabH
50038709	2	ChEMBL_559689 (CHEMBL1010087)	Inhibition of Plasmodium falciparum FabH
50038710	1	ChEMBL_560219 (CHEMBL1015394)	Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production
50038710	2	ChEMBL_560220 (CHEMBL1015395)	Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in presence of 50% human serum
50038710	3	ChEMBL_560218 (CHEMBL1015393)	Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1
50038711	1	ChEMBL_560771 (CHEMBL1011738)	Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells
50038711	2	ChEMBL_560772 (CHEMBL1011739)	Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells
50038711	3	ChEMBL_560773 (CHEMBL1011740)	Inhibition of PDE4D2 by rapid fluorescence based assay
50038711	4	ChEMBL_560767 (CHEMBL1011734)	Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells
50038711	5	ChEMBL_560768 (CHEMBL1011735)	Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells
50038711	6	ChEMBL_560769 (CHEMBL1011736)	Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells
50038711	7	ChEMBL_560770 (CHEMBL1011737)	Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells
50038712	3	ChEMBL_558760 (CHEMBL1019889)	Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038712	5	ChEMBL_558757 (CHEMBL1019886)	Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50000909	3	ChEMBL_1698289 (CHEMBL4049179)	Displacement of [125I]-NDP-alpha-MSH from human MC3R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proximity assay
50000909	4	ChEMBL_1698290 (CHEMBL4049180)	Displacement of [125I]-NDP-alpha-MSH from human MC4R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proximity assay
50000909	5	ChEMBL_1698288 (CHEMBL4049178)	Displacement of [125I]-NDP-alpha-MSH from human MC1R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proximity assay
50038712	8	ChEMBL_558752 (CHEMBL1019881)	Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain
50038712	9	ChEMBL_558754 (CHEMBL1019883)	Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain
50000909	6	ChEMBL_1698291 (CHEMBL4049181)	Displacement of [125I]-NDP-alpha-MSH from human MC5R LBD expressed in HEK293 cell membranes incubated for 16 to 23 hrs in dark by scintillation proximity assay
50000909	7	ChEMBL_1698297 (CHEMBL4049187)	Agonist activity at human MC1R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTRF method
50000909	8	ChEMBL_1698299 (CHEMBL4049189)	Agonist activity at human MC4R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTRF method
50038713	1	ChEMBL_559244 (CHEMBL1014663)	Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry
50038713	2	ChEMBL_559243 (CHEMBL1014662)	Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry
50038713	3	ChEMBL_559242 (CHEMBL1014661)	Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry
50038714	1	ChEMBL_559518 (CHEMBL1018991)	Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells
50038714	2	ChEMBL_559520 (CHEMBL1018993)	Displacement of [3H]Quisqualate from human mGluR2 receptor expressed in BHK cells
50038714	3	ChEMBL_559521 (CHEMBL1018994)	Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells
50038714	4	ChEMBL_559519 (CHEMBL1018992)	Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells
50038715	1	ChEMBL_560276 (CHEMBL1020454)	Displacement of [125I]RTI-55 from human DAT receptor expressed in canine kidney cells
50038715	2	ChEMBL_560275 (CHEMBL1020453)	Displacement of [3H]citalopram from human SERT receptor expressed in HEK293 cells
50038715	3	ChEMBL_560274 (CHEMBL1020452)	Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells
50038716	1	ChEMBL_560341 (CHEMBL1009181)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst4 receptor expressed in chinese hamster CCL39 cells
50038716	2	ChEMBL_560342 (CHEMBL1009182)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst5 receptor expressed in chinese hamster CCL39 cells
50038716	3	ChEMBL_560338 (CHEMBL1009178)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst1 receptor expressed in chinese hamster CCL39 cells
50038716	4	ChEMBL_560339 (CHEMBL1009179)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst2 receptor expressed in chinese hamster CCL39 cells
50038716	5	ChEMBL_560340 (CHEMBL1009180)	Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombinant sst3 receptor expressed in chinese hamster CCL39 cells
50038717	1	ChEMBL_558831 (CHEMBL1021617)	Binding affinity to HAT p300 catalytic domain by fluorometric titration
50038717	2	ChEMBL_558828 (CHEMBL1021614)	Binding affinity to HAT p300 catalytic domain by isothermal titration calorimetry
50038717	3	ChEMBL_558827 (CHEMBL1021613)	Inhibition of HAT p300 catalytic domain by equilibrium dialysis
50038718	1	ChEMBL_560424 (CHEMBL1015427)	Inverse agonist activity at human recombinant CB1 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay
50038718	2	ChEMBL_559545 (CHEMBL1019848)	Inverse agonist activity at human recombinant CB2 receptor expressed CHO cells membrane by [35S]GTPgamma binding assay
50038718	3	ChEMBL_559553 (CHEMBL1019856)	Binding affinity to CB2 receptor
50038718	4	ChEMBL_560423 (CHEMBL1015426)	Agonist activity at human CB2 receptor expressed CHO cells by [35S]GTPgamma binding assay
50038718	5	ChEMBL_559554 (CHEMBL1019857)	Inverse agonist activity at CB2 receptor
50038718	6	ChEMBL_559555 (CHEMBL1019858)	Binding affinity to CB2 receptor by competition binding assay
50038718	7	ChEMBL_559547 (CHEMBL1019850)	Displacement of [3H] 2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol from human CB2 receptor expressed CHO-K1 cells by liquid scintillation counting
50038719	1	ChEMBL_560594 (CHEMBL1022319)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor
50038719	2	ChEMBL_560595 (CHEMBL1022320)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor
50038719	3	ChEMBL_560597 (CHEMBL1009869)	Binding affinity to CB1 receptor
50038719	4	ChEMBL_560598 (CHEMBL1009870)	Binding affinity to CB2 receptor
50038720	1	ChEMBL_513492 (CHEMBL975398)	Inhibition of human MRP1 in human 2008 cells
50038720	2	ChEMBL_513493 (CHEMBL975399)	Inhibition of human MRP2 expressed in dog MDCK2 cells
50038721	1	ChEMBL_511280 (CHEMBL996935)	Inhibition of CYP26A1 in human MCF7 cells
50038722	1	ChEMBL_511514 (CHEMBL980957)	Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane
50038723	1	ChEMBL_538596 (CHEMBL1026634)	Inhibition of Pneumocystis carinii dihydrofolate reductase
50038723	2	ChEMBL_538598 (CHEMBL1026636)	Inhibition of rat liver dihydrofolate reductase
50038723	3	ChEMBL_538600 (CHEMBL1027390)	Inhibition of Toxoplasma gondii dihydrofolate reductase
50038723	4	ChEMBL_538602 (CHEMBL1027392)	Inhibition of Mycobacterium avium dihydrofolate reductase
50038724	4	ChEMBL_534605 (CHEMBL989030)	Inhibition of human ERG channel in HEK293 cells by voltage-clamp method
50038724	5	ChEMBL_534636 (CHEMBL993333)	Displacement of [3H]diprenorphine from human kappa opioid receptor in CHO cells
50038724	6	ChEMBL_534637 (CHEMBL993334)	Displacement of [3H]diprenorphine from human mu opioid receptor in CHO cells
50038725	1	ChEMBL_534654 (CHEMBL994103)	Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy
50000910	1	ChEMBL_1698353 (CHEMBL4049243)	Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method
50038727	1	ChEMBL_539060 (CHEMBL1036591)	Inhibition of human recombinant PTP1B after 30 mins
50038728	1	ChEMBL_539074 (CHEMBL1036605)	Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current by two electrode voltage clamp method
50038728	2	ChEMBL_539362 (CHEMBL1027247)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells
50038728	3	ChEMBL_539365 (CHEMBL1027249)	Binding affinity to dopamine transporter
50038728	4	ChEMBL_539366 (CHEMBL1027250)	Binding affinity to norepinephrine transporter
50038728	5	ChEMBL_539073 (CHEMBL1036604)	Binding affinity to serotonin transporter
50038729	1	ChEMBL_539394 (CHEMBL1027278)	Agonist activity at mouse MC5R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay
50038729	2	ChEMBL_539385 (CHEMBL1027269)	Agonist activity at mouse MC3R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay
50038729	3	ChEMBL_539391 (CHEMBL1027275)	Agonist activity at mouse MC4R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay
50038729	4	ChEMBL_539392 (CHEMBL1027276)	Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gene assay
50038729	5	ChEMBL_539383 (CHEMBL1027267)	Agonist activity at mouse MC1R expressed in HEK293 cells by CRE/beta-galactosidase reporter gene assay
50038729	6	ChEMBL_539389 (CHEMBL1027273)	Antagonist activity at mouse MC3R expressed in HEK293 cells assessed as effect on MT2 peptide-induced response by CRE/beta-galactosidase reporter gene assay
50038730	1	ChEMBL_539761 (CHEMBL1034979)	Inhibition of human thymidylate synthase
50000910	2	ChEMBL_1698355 (CHEMBL4049245)	Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method
50038730	5	ChEMBL_539765 (CHEMBL1034983)	Inhibition of Escherichia coli DHFR
50038731	1	ChEMBL_539183 (CHEMBL1024687)	Inhibition of human DNA polymerase beta
50038732	1	ChEMBL_539485 (CHEMBL1029771)	Agonist activity at cyclothiazide-desensitized human flip iGluR1 expressed in CHO-K1 cells by whole cell patch-clamp method
50038732	2	ChEMBL_539475 (CHEMBL1028971)	Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 cells
50038732	3	ChEMBL_539471 (CHEMBL1028967)	Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 expressed in Sf9 cells
50038732	4	ChEMBL_539472 (CHEMBL1028968)	Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expressed in Sf9 cells
50038732	5	ChEMBL_539473 (CHEMBL1028969)	Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 expressed in Sf9 cells
50038732	6	ChEMBL_539474 (CHEMBL1028970)	Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 expressed in Sf9 cells
50038732	7	ChEMBL_539476 (CHEMBL1028972)	Displacement of [3H]kainic acid from rat recombinant iGluR6(V,C,R) receptor expressed in Sf9 cells
50038732	8	ChEMBL_539482 (CHEMBL1029767)	Agonist activity at cyclothiazide-desensitized rat recombinant flip iGluR3 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	9	ChEMBL_539483 (CHEMBL1029769)	Agonist activity at cyclothiazide-desensitized rat recombinant flip iGluR4 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	10	ChEMBL_539480 (CHEMBL1029765)	Agonist activity at cyclothiazide-desensitized rat recombinant flip iGluR2(Q) expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	11	ChEMBL_539477 (CHEMBL1028973)	Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR1 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	12	ChEMBL_539479 (CHEMBL1029764)	Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR2(Q) expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	13	ChEMBL_539481 (CHEMBL1029766)	Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR3 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	14	ChEMBL_539484 (CHEMBL1029770)	Agonist activity at cyclothiazide-desensitized rat recombinant flop iGluR4c expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	15	ChEMBL_539478 (CHEMBL1029763)	Agonist activity at cyclothiazide-desensitized rat recombinant flip iGluR1 expressed in Xenopus laevis oocytes by two electrode voltage-clamp electrophysiology method
50038732	16	ChEMBL_539487 (CHEMBL1029773)	Antagonist activity at human flip iGluR1 expressed in CHO-K1 cells by whole cell patch-clamp method
50038732	17	ChEMBL_539488 (CHEMBL1032297)	Antagonist activity at human iGluR5(Q)1b expressed in CHO-K1 cells by whole cell patch-clamp method
50038732	18	ChEMBL_539486 (CHEMBL1029772)	Agonist activity at rat flip iGluR2(Q) expressed in Xenopus laevis oocytes by whole cell patch-clamp method
50000910	3	ChEMBL_1698356 (CHEMBL4049246)	Activation of YFP-tagged ACKR3 (unknown origin) expressed in HEK293E cells assessed as induction of Rluc-tagged beta-arrestin-2 recruitment after 30 mins by BRET assay
50038734	1	ChEMBL_539205 (CHEMBL1024709)	Binding affinity to recombinant Grb2 SH2 domain by surface plasmon resonance analysis
50038735	1	ChEMBL_539581 (CHEMBL1035756)	Agonist activity at PPARalpha
50038735	2	ChEMBL_539582 (CHEMBL1035757)	Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transactivation assay
50038735	3	ChEMBL_539584 (CHEMBL1035759)	Agonist activity at human PPARalpha ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transactivation assay
50038736	1	ChEMBL_539613 (CHEMBL1025618)	Agonist activity at human cloned wild-type alpha7 nAChR expressed in Xenopus laevis oocytes assessed as channel opening by voltage clamp electrophysiology
50038736	2	ChEMBL_539612 (CHEMBL1025617)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR
50038737	1	ChEMBL_494689 (CHEMBL938648)	Inhibition of FAAH
50038737	2	ChEMBL_494695 (CHEMBL938654)	Inhibition of human FAAH
50038737	3	ChEMBL_494694 (CHEMBL938653)	Inhibition of rat FAAH
50038737	4	ChEMBL_494693 (CHEMBL938652)	Inhibition of FAAH in rat brain assessed as hydrolysis of anandamide
50038738	1	ChEMBL_494696 (CHEMBL938655)	Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells
50038738	2	ChEMBL_494697 (CHEMBL938656)	Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells
50038738	3	ChEMBL_494698 (CHEMBL938657)	Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells
50038738	4	ChEMBL_494699 (CHEMBL938658)	Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells
50038738	5	ChEMBL_494700 (CHEMBL938659)	Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay
50038738	6	ChEMBL_494703 (CHEMBL938662)	Agonist activity at human alpha-3-beta-4 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique
50038738	7	ChEMBL_494702 (CHEMBL938661)	Agonist activity at human alpha-4-beta-2 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique
50038738	8	ChEMBL_494704 (CHEMBL938663)	Agonist activity at human alpha-7 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique
50038739	1	ChEMBL_494974 (CHEMBL1008046)	Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells
50038739	2	ChEMBL_494975 (CHEMBL1008047)	Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by whole cell patch clamp technique
50038739	3	ChEMBL_494980 (CHEMBL1008052)	Inhibition of wild type human SK3 channel expressed in HEK293 cells
50038739	4	ChEMBL_494982 (CHEMBL1008054)	Inhibition of wild type human SK3 channel expressed in HEK293 cells assessed as Ca2+ sensitivity by inside-out patch clamp technique
50038739	5	ChEMBL_494984 (CHEMBL1008056)	Inhibition of wild type human SK3 channel expressed in HEK293 cells assessed as Ca2+ sensitivity by inside-out patch clamp technique in presence of 500 nM Ca2+
50038739	6	ChEMBL_494985 (CHEMBL1008894)	Inhibition of human SK3 channel expressed in HEK293 cells assessed as Ca2+ induced current after drug wash out by whole cell patch clamp technique in presence of bicuculline methobromide
50038739	7	ChEMBL_495132 (CHEMBL1008911)	Inhibition of human SK3 channel by inside-out patch clamp technique
50038739	8	ChEMBL_495133 (CHEMBL1008912)	Inhibition of human SK1 channel by inside-out patch clamp technique
50038739	9	ChEMBL_495134 (CHEMBL1008913)	Inhibition of human SK2 channel by inside-out patch clamp technique
50038740	1	ChEMBL_495918 (CHEMBL995832)	Inhibition of human recombinant PTP1B
50038741	1	ChEMBL_496147 (CHEMBL1000136)	Displacement of [3H]8OH-DPAT from 5HT1A receptor in rat hippocampal membrane
50038741	2	ChEMBL_496148 (CHEMBL1000137)	Displacement of [3H]spiroperidol from dopamine D2 receptor in rat striatal membrane
50038741	3	ChEMBL_496150 (CHEMBL1000139)	Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane
50038742	1	ChEMBL_495049 (CHEMBL1003621)	Inhibition of MMP2
50038742	2	ChEMBL_495050 (CHEMBL1003622)	Inhibition of MMP9
50038742	3	ChEMBL_495051 (CHEMBL1003623)	Inhibition of MMP13
50038742	4	ChEMBL_495052 (CHEMBL1003624)	Inhibition of TACE
50038742	5	ChEMBL_495058 (CHEMBL1003630)	Inhibition of MMP1
50038742	6	ChEMBL_495237 (CHEMBL998667)	Inhibition of TACE in human PBMC
50038742	7	ChEMBL_495059 (CHEMBL1003631)	Inhibition of TACE by cell free assay
50038742	8	ChEMBL_495234 (CHEMBL998664)	Inhibition of pig TACE
50038743	1	ChEMBL_495249 (CHEMBL1003655)	Inhibition of Gallus gallus AIR carboxylase by CAIR decarboxylation assay
50038744	1	ChEMBL_495672 (CHEMBL1006149)	Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR
50038745	1	ChEMBL_495681 (CHEMBL1006960)	Inhibition of recombinant His-tagged HAT p300 expressed in Sf21-Baculovirus system
50038745	2	ChEMBL_495682 (CHEMBL1006961)	Inhibition of HAT p300
50038745	3	ChEMBL_495683 (CHEMBL1006962)	Inhibition of HAT PCAF
50038745	4	ChEMBL_495684 (CHEMBL1006963)	Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by filter assay
50038745	5	ChEMBL_495685 (CHEMBL1006964)	Inhibition of GST-fused recombinant HAT p300 expressed in Escherichia coli by filter assay
50038746	1	ChEMBL_493861 (CHEMBL943269)	Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake
50038746	2	ChEMBL_496241 (CHEMBL1004546)	Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system
50038747	1	ChEMBL_493922 (CHEMBL947334)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity after 48 hrs
50038747	2	ChEMBL_493924 (CHEMBL947336)	Antagonist activity at progesterone receptor in human T47D-C124 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of progesterone-induced luciferase transactivation activity after 24 hrs
50038748	2	ChEMBL_495340 (CHEMBL1006332)	Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells
50038748	4	ChEMBL_495343 (CHEMBL1007140)	Activity at monocloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038749	1	ChEMBL_495542 (CHEMBL996821)	Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate by time dependent inhibition assay
50038749	2	ChEMBL_495543 (CHEMBL996822)	Inhibition of human CYP3A4 expressed in Escherichia coli using 7BQ substrate by time dependent inhibition assay
50038749	3	ChEMBL_495539 (CHEMBL1008009)	Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 0 to 5 mins by time dependent inhibition assay
50038749	4	ChEMBL_495540 (CHEMBL1008010)	Inhibition of human CYP3A4 expressed in Escherichia coli using diethoxyfluorescein substrate measured in 25 to 30 mins by time dependent inhibition assay
50038749	5	ChEMBL_495123 (CHEMBL1008902)	Inhibition of human CYP1A2
50038749	6	ChEMBL_495124 (CHEMBL1008903)	Inhibition of human CYP2C9
50038749	7	ChEMBL_495125 (CHEMBL1008904)	Inhibition of human CYP2C19
50038749	8	ChEMBL_495126 (CHEMBL1008905)	Inhibition of human CYP2D6
50038750	1	ChEMBL_518478 (CHEMBL938929)	Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay
50038750	2	ChEMBL_518745 (CHEMBL957120)	Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assay
50038750	3	ChEMBL_518748 (CHEMBL957853)	Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay
50038752	1	ChEMBL_518601 (CHEMBL960394)	Inhibition of CDK2/Cyclin E
50038752	2	ChEMBL_518602 (CHEMBL960395)	Inhibition of ERK1/MAPK
50038752	3	ChEMBL_518603 (CHEMBL960396)	Inhibition of EGFR
50038752	4	ChEMBL_518605 (CHEMBL960398)	Inhibition of IRK
50038752	5	ChEMBL_518598 (CHEMBL960391)	Inhibition of BTK
50038752	6	ChEMBL_518600 (CHEMBL960393)	Inhibition of CDK2/Cyclin B
50038753	1	ChEMBL_518658 (CHEMBL963566)	Inhibition of human recombinant MMP13 expressed in Escherichia coli
50038754	1	ChEMBL_519278 (CHEMBL947730)	Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells
50038754	2	ChEMBL_519279 (CHEMBL947731)	Agonist activity at human PPARgamma transactivation expressed in human HePG2 cells
50038755	1	ChEMBL_519583 (CHEMBL943658)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50038755	2	ChEMBL_519585 (CHEMBL943660)	Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay
50038755	3	ChEMBL_519586 (CHEMBL943661)	Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50038755	4	ChEMBL_519587 (CHEMBL943662)	Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay
50038755	5	ChEMBL_519584 (CHEMBL943659)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay
50038757	1	ChEMBL_519008 (CHEMBL942569)	Inhibition of Plasmodium falciparum DHOD
50038757	2	ChEMBL_519009 (CHEMBL942570)	Inhibition of Saccharomyces cerevisiae DHOD
50038758	1	ChEMBL_515202 (CHEMBL1028080)	Inhibition of EGFR
50038758	2	ChEMBL_515203 (CHEMBL991255)	Inhibition of ErbB2
50038758	3	ChEMBL_515210 (CHEMBL990365)	Inhibition of ErbB2 intracellular autophosphorylation of ErbB2 in human BT474 cells by DELFIA assay
50038759	1	ChEMBL_515295 (CHEMBL1035630)	Inhibition of Spiroplasma sp. MQ-1 M.SssI
50038760	1	ChEMBL_515635 (CHEMBL1029727)	Inhibition of TIP60 in human HeLa cell extracts by ELISA
50038760	2	ChEMBL_515391 (CHEMBL1025546)	Inhibition of recombinant Tip60 (1-513) expressed in Escherichia coli BL21 (DE3) by liquid scintillation
50038760	3	ChEMBL_515393 (CHEMBL1025548)	Inhibition of recombinant p300
50038760	4	ChEMBL_515394 (CHEMBL1025549)	Inhibition of PCAF HAT domain (493-658) expressed in Escherichia coli BL21 (DE3)
50038761	1	ChEMBL_515851 (CHEMBL993110)	Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay
50038761	2	ChEMBL_515849 (CHEMBL993108)	Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay
50038761	3	ChEMBL_515850 (CHEMBL993109)	Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay
50000911	1	ChEMBL_1698360 (CHEMBL4049250)	Inhibition of recombinant human sEH using MNPC as substrate by fluorescence-based assay
50000911	2	ChEMBL_1698363 (CHEMBL4049253)	Inhibition of recombinant rat sEH using MNPC as substrate by fluorescence-based assay
50038762	6	ChEMBL_515862 (CHEMBL993121)	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells
50038762	7	ChEMBL_515867 (CHEMBL993921)	Agonist activity at human mu opioid receptor expressed in CHOK1 cells by [35S]GTPgammaS binding
50000913	1	ChEMBL_1698387 (CHEMBL4049277)	Inhibition of BACE1 in human SH-SY5Y cells assessed as decrease in sAPP-beta release after 16 to 17 hrs
50038762	8	ChEMBL_515868 (CHEMBL993922)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells by [35S]GTPgammaS binding
50000913	2	ChEMBL_1698384 (CHEMBL4049274)	Inhibition of human BACE1 (1 to 460 residues) fused with Fc domain of IgG1 expressed in HEK293 cells preincubated for 10 mins followed by substrate addition measured after 17 mins by TR-FRET assay
50000913	3	ChEMBL_1698395 (CHEMBL4049285)	Inhibition of human ERG
50000913	4	ChEMBL_1698406 (CHEMBL4049296)	Inhibition of recombinant human BACE1 (1 to 460 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6.5 hrs by TR-FRET assay
50000913	5	ChEMBL_1698407 (CHEMBL4049297)	Inhibition of human BACE2 (1 to 473 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6.5 hrs by TR-FRET assay
50038763	1	ChEMBL_516050 (CHEMBL982420)	Reduction of MMP9 activity in TNF-alpha/IL1-beta-stimulated human Caco-2 cells treated 1 hr before stimulation by zymography
50038764	1	ChEMBL_516175 (CHEMBL984215)	Displacement of [3H]PK11195 from TSPO in rat cortex
50038764	2	ChEMBL_516174 (CHEMBL984214)	Displacement of [3H]Ro5-4864 from TSPO in rat kainate lesioned striatum
50038764	3	ChEMBL_516176 (CHEMBL984216)	Displacement of [3H]SSR180575 from TSPO in rat cortex
50038764	4	ChEMBL_516173 (CHEMBL984213)	Displacement of [3H]PK11195 from TSPO in rat kidney membrane
50038765	1	ChEMBL_516600 (CHEMBL988687)	Inhibition of Trypanosoma cruzi trans-Sialidase
50038765	2	ChEMBL_516607 (CHEMBL988694)	Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay
50038765	3	ChEMBL_516608 (CHEMBL988695)	Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay
50038766	1	ChEMBL_517120 (CHEMBL989583)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting
50038766	2	ChEMBL_517125 (CHEMBL989588)	Inhibition of human adrenergic alpha2A receptor
50038766	3	ChEMBL_517126 (CHEMBL989589)	Inhibition of human 5HT1A receptor
50038766	4	ChEMBL_517127 (CHEMBL989590)	Inhibition of human 5HT2C receptor
50038766	5	ChEMBL_517128 (CHEMBL989591)	Inhibition of human SERT
50038766	6	ChEMBL_517123 (CHEMBL989586)	Agonist activity at human 5HT6 receptor expressed in HEK293F cells assessed as stimulation of cAMP level after 30 mins by HTRF assay Inhibition of rat adrenergic alpha1 receptor
50038767	1	ChEMBL_497239 (CHEMBL1006192)	Binding affinity to RYR1 channels by calcium mobilization assay
50038768	1	ChEMBL_496721 (CHEMBL1005358)	Binding affinity to mu opioid receptor in guinea pig forebrain
50038768	2	ChEMBL_496722 (CHEMBL1005359)	Binding affinity to kappa opioid receptor in guinea pig cerebellum
50038769	1	ChEMBL_496793 (CHEMBL1008806)	Displacement of [3H]nisoxetine from NET in rat frontal cortex membrane
50038769	2	ChEMBL_496794 (CHEMBL1008807)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane
50038769	3	ChEMBL_496792 (CHEMBL1008805)	Displacement of [3H]citalopram from SERT in rat brain stem membrane
50038769	4	ChEMBL_496791 (CHEMBL1008804)	Displacement of [3H]WIN-35428 from DAT in rat striatum membrane
50038770	1	ChEMBL_497083 (CHEMBL997719)	Inhibition of p38alpha
50038770	2	ChEMBL_497084 (CHEMBL997720)	Displacement of fluorescent ATP competitive ligand from p38alpha
50038770	3	ChEMBL_497085 (CHEMBL998563)	Inhibition of MEK1 by cRaf/mek/Erk cascade assay
50038770	4	ChEMBL_497086 (CHEMBL998564)	Inhibition of CDK2
50038770	5	ChEMBL_497087 (CHEMBL998565)	Inhibition of cFMS
50038770	6	ChEMBL_497088 (CHEMBL998566)	Inhibition of EGFR
50038770	7	ChEMBL_497089 (CHEMBL998567)	Inhibition of ErbB4
50038770	8	ChEMBL_497090 (CHEMBL998568)	Inhibition of JNK3
50038770	9	ChEMBL_497091 (CHEMBL998569)	Inhibition of LCK
50038770	10	ChEMBL_497092 (CHEMBL998570)	Inhibition of PLK1
50038770	11	ChEMBL_497093 (CHEMBL998571)	Inhibition of SGK1
50038770	12	ChEMBL_497094 (CHEMBL998572)	Inhibition of VEGFR2
50038771	1	ChEMBL_496821 (CHEMBL1008834)	Inhibition of human recombinant C-terminally flag tagged HDAC1
50038771	2	ChEMBL_496827 (CHEMBL1008840)	Inhibition of HDAC3
50038771	3	ChEMBL_496828 (CHEMBL1008841)	Inhibition of HDAC6
50038771	4	ChEMBL_496829 (CHEMBL1008842)	Inhibition of HDAC4
50038771	5	ChEMBL_496826 (CHEMBL1008839)	Inhibition of HDAC2
50038771	6	ChEMBL_496830 (CHEMBL1008843)	Inhibition of HDAC5
50038771	7	ChEMBL_496831 (CHEMBL1008844)	Inhibition of HDAC7
50038771	8	ChEMBL_496832 (CHEMBL1008845)	Inhibition of HDAC8
50038772	1	ChEMBL_492858 (CHEMBL942189)	Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cells
50038773	1	ChEMBL_492874 (CHEMBL942205)	Binding affinity to CI-M6PR
50038774	1	ChEMBL_493060 (CHEMBL953174)	Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay
50038774	2	ChEMBL_493062 (CHEMBL953176)	Activity at human recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay
50038774	3	ChEMBL_493064 (CHEMBL953178)	Activity at guinea pig recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay
50038774	4	ChEMBL_493066 (CHEMBL937681)	Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, G-beta-1-gamma-2 and RGS4 by steady-state GTPase activity assay
50038774	5	ChEMBL_493068 (CHEMBL937683)	Activity at human recombinant histamine H4 receptor-RGS4 fusion protein expressed in Sf9 cells coexpressing Galphai2 and G-beta-1-gamma-2 by steady-state GTPase activity assay
50038775	1	ChEMBL_493235 (CHEMBL948465)	Inhibition of human serum BChE by Ellman's assay
50038775	2	ChEMBL_493234 (CHEMBL948464)	Inhibition of human recombinant AChE by Ellman's assay
50038775	3	ChEMBL_493238 (CHEMBL948468)	Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation by thioflavin T formation assay
50038775	4	ChEMBL_493239 (CHEMBL948469)	Inhibition of self-induced amyloid beta (1-40) aggregation by thioflavin T formation assay
50038776	1	ChEMBL_493240 (CHEMBL948470)	Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter
50038776	2	ChEMBL_493244 (CHEMBL948474)	Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter
50038776	3	ChEMBL_493241 (CHEMBL948471)	Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter
50038776	4	ChEMBL_493243 (CHEMBL948473)	Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter
50000913	6	ChEMBL_1698385 (CHEMBL4049275)	Inhibition of human BACE2 (1 to 473 residues) fused with Fc domain of IgG1 expressed in HEK293 cells preincubated for 10 mins followed by substrate addition measured after 17 mins by TR-FRET assay
50038776	5	ChEMBL_493255 (CHEMBL948485)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp method
50038776	6	ChEMBL_493242 (CHEMBL948472)	Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter
50038776	7	ChEMBL_493245 (CHEMBL948475)	Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter
50038776	8	ChEMBL_493256 (CHEMBL948486)	Inhibition of CYP2D6
50038777	1	ChEMBL_540910 (CHEMBL1026584)	Inhibition of Candida albicans isocitrate lyase
50038778	1	ChEMBL_541079 (CHEMBL1034062)	Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 expressing CHO cells by cell-cell fusion assay
50038778	2	ChEMBL_541084 (CHEMBL1034067)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50038779	1	ChEMBL_541213 (CHEMBL1031502)	Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting
50038780	1	ChEMBL_541286 (CHEMBL1031545)	Displacement of [125I]RTI55 from human DAT expressed in HEK cells
50038780	2	ChEMBL_541287 (CHEMBL1031546)	Displacement of [125I]RTI55 from human SERT expressed in HEK cells
50038780	3	ChEMBL_541288 (CHEMBL1031547)	Displacement of [125I]RTI55 from human NET expressed in HEK cells
50038780	4	ChEMBL_541290 (CHEMBL1031549)	Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK cells
50038780	5	ChEMBL_541285 (CHEMBL1031544)	Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK cells
50038780	6	ChEMBL_541289 (CHEMBL1031548)	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK cells
50038781	1	ChEMBL_541721 (CHEMBL1022259)	Inhibition of human DPP4
50038781	2	ChEMBL_541719 (CHEMBL1022257)	Inhibition of DPP4 in rat plasma
50038781	3	ChEMBL_541717 (CHEMBL1021164)	Inhibition of DPP4
50038781	4	ChEMBL_541739 (CHEMBL1023101)	Inhibition of QPP
50038781	5	ChEMBL_541735 (CHEMBL1023097)	Inhibition of DPP8
50038781	6	ChEMBL_541736 (CHEMBL1023098)	Inhibition of DPP9
50038781	7	ChEMBL_541742 (CHEMBL1023104)	Inhibition of human ERG
50038781	8	ChEMBL_541743 (CHEMBL1023105)	Inhibition of FAP
50038781	9	ChEMBL_541744 (CHEMBL1023106)	Inhibition of DPP7
50038781	10	ChEMBL_541746 (CHEMBL1023108)	Inhibition of CYP3A4
50038781	11	ChEMBL_541720 (CHEMBL1022258)	Inhibition of pig kidney DPP4
50038781	12	ChEMBL_541733 (CHEMBL1023095)	Inhibition of mouse DPP4
50038782	1	ChEMBL_542627 (CHEMBL1015016)	Binding affinity to human recombinant Hsp90alpha N-terminal domain by scintillation proximity assay
50038782	2	ChEMBL_542628 (CHEMBL1015017)	Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry
50038783	1	ChEMBL_543072 (CHEMBL1022171)	Inhibition of MAOA in rat brain mitochondria
50038783	2	ChEMBL_543071 (CHEMBL1022170)	Inhibition of MAOB in rat brain mitochondria
50038784	1	ChEMBL_543319 (CHEMBL1022989)	Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane
50038784	2	ChEMBL_543321 (CHEMBL1022991)	Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane
50000915	1	ChEMBL_1698408 (CHEMBL4049298)	Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay
50038784	8	ChEMBL_543333 (CHEMBL1023003)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038784	6	ChEMBL_543322 (CHEMBL1022992)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50038785	1	ChEMBL_543345 (CHEMBL1023015)	Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli by spectrophotometry
50038786	1	ChEMBL_541583 (CHEMBL1011672)	Inhibition of wild-type human ERG expressed in HEK293 cells by whole cell patch clamp method
50038786	2	ChEMBL_541589 (CHEMBL1011678)	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method
50038787	1	ChEMBL_542084 (CHEMBL1016953)	Inhibition of JAK2
50038787	2	ChEMBL_542085 (CHEMBL1016954)	Inhibition of JAK1
50038787	3	ChEMBL_542083 (CHEMBL1016952)	Inhibition of ROCK2
50038787	4	ChEMBL_542082 (CHEMBL1016951)	Inhibition of Lck
50038787	5	ChEMBL_542081 (CHEMBL1016950)	Inhibition of IRK
50038787	6	ChEMBL_542079 (CHEMBL1016948)	Inhibition of Cdk5
50038787	8	ChEMBL_542078 (CHEMBL1016947)	Inhibition of EGFR
50038787	9	ChEMBL_542076 (CHEMBL1016945)	Inhibition of MAPK2/ERK2
50038787	10	ChEMBL_542077 (CHEMBL1016946)	Inhibition of JNK1/SAPK1c
50038787	11	ChEMBL_542075 (CHEMBL1016944)	Inhibition of SAPK2a/p38
50038787	12	ChEMBL_542073 (CHEMBL1016942)	Inhibition of SAPK2b/p38b2
50038787	13	ChEMBL_542074 (CHEMBL1016943)	Inhibition of SAPK3/p38g
50038787	14	ChEMBL_542072 (CHEMBL1016941)	Inhibition of SAPK4/p38d
50038787	15	ChEMBL_542071 (CHEMBL1016940)	Inhibition of MAPKAPK1b
50038787	17	ChEMBL_542068 (CHEMBL1016937)	Inhibition of MSK1
50038787	18	ChEMBL_542069 (CHEMBL1016938)	Inhibition of PRAK
50000915	2	ChEMBL_1698409 (CHEMBL4049299)	Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay
50038787	20	ChEMBL_541855 (CHEMBL1015223)	Inhibition of PDK1
50038787	21	ChEMBL_541856 (CHEMBL1015224)	Inhibition of PKBa
50038787	22	ChEMBL_541857 (CHEMBL1015225)	Inhibition of SGK
50038787	23	ChEMBL_541858 (CHEMBL1015226)	Inhibition of p70S6K
50038787	24	ChEMBL_541859 (CHEMBL1015227)	Inhibition of GSK3-beta
50038787	26	ChEMBL_541863 (CHEMBL1015231)	Inhibition of CSK
50038787	28	ChEMBL_541865 (CHEMBL1015233)	Inhibition of PI3K
50038788	1	ChEMBL_543165 (CHEMBL1014325)	Binding affinity to mu opioid receptor in rhesus monkey brain membrane in presence of Na+ ions
50038788	2	ChEMBL_543166 (CHEMBL1014326)	Binding affinity to mu opioid receptor in rhesus monkey brain membrane in absence of Na+ ions
50038788	3	ChEMBL_543172 (CHEMBL1014332)	Binding affinity to mu opioid receptor in rat brain membrane
50038788	4	ChEMBL_543173 (CHEMBL1015121)	Binding affinity to kappa opioid receptor in rat brain membrane
50038788	5	ChEMBL_543174 (CHEMBL1015122)	Binding affinity to delta opioid receptor in rat brain membrane
50038789	1	ChEMBL_543487 (CHEMBL1018653)	Inhibition of FLAG-tagged full length human 11beta-HSD1 expressed in baculovirus-infected Trichoplusia ni Hi5 cells assessed as reduction of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH
50000915	3	ChEMBL_1698419 (CHEMBL4049309)	Inhibition of recombinant mouse ATX expressed in HEK293 cells using FS3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins
50000915	4	ChEMBL_1698420 (CHEMBL4049310)	Inhibition of recombinant mouse ATX expressed in HEK293 cells using LPC 17:0 as substrate after 30 mins by LC-MS/MS method
50000915	5	ChEMBL_1698421 (CHEMBL4049311)	Inhibition of ATX in human whole blood assessed as decrease in LPA levels after 2 hrs by LC-MS/MS method
50038789	2	ChEMBL_543486 (CHEMBL1018652)	Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in absence of NADPH
50038789	3	ChEMBL_543488 (CHEMBL1018654)	Inhibition of full length human recombinant 11beta-HSD1 expressed in HEK293 cells in presence of 3% human serum albumin
50038789	4	ChEMBL_543508 (CHEMBL1019457)	Inhibition of rat 11beta-HSD1
50038790	1	ChEMBL_543512 (CHEMBL1019461)	Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 expressing CHO cells by cell-cell fusion assay
50038790	2	ChEMBL_543516 (CHEMBL1019465)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50038791	1	ChEMBL_565854 (CHEMBL959277)	Inhibition of human recombinant full length CA1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50038791	2	ChEMBL_565855 (CHEMBL959278)	Inhibition of human recombinant full length CA2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50038791	3	ChEMBL_565856 (CHEMBL959279)	Inhibition of human recombinant full length CA3 expressed in Escherichia coli BL21 by stopped flow CO2 hydration assay
50038791	4	ChEMBL_565857 (CHEMBL959280)	Inhibition of human recombinant full length CA4 by stopped flow CO2 hydration assay
50038791	5	ChEMBL_565858 (CHEMBL959281)	Inhibition of human recombinant full length CA5A by stopped flow CO2 hydration assay
50038791	6	ChEMBL_565859 (CHEMBL959282)	Inhibition of human recombinant full length CA5B by stopped flow CO2 hydration assay
50038791	7	ChEMBL_565860 (CHEMBL959283)	Inhibition of human recombinant full length CA6 by stopped flow CO2 hydration assay
50038791	8	ChEMBL_565861 (CHEMBL959284)	Inhibition of human recombinant full length CA7 by stopped flow CO2 hydration assay
50038791	9	ChEMBL_565862 (CHEMBL959285)	Inhibition of human recombinant CA9 catalytic domain by stopped flow CO2 hydration assay
50038791	10	ChEMBL_565863 (CHEMBL959286)	Inhibition of human recombinant CA12 catalytic domain by stopped flow CO2 hydration assay
50038791	11	ChEMBL_565864 (CHEMBL959287)	Inhibition of mouse recombinant full length CA13 by stopped flow CO2 hydration assay
50038791	12	ChEMBL_565865 (CHEMBL959288)	Inhibition of human recombinant full length CA14 by stopped flow CO2 hydration assay
50038792	2	ChEMBL_566719 (CHEMBL961711)	Inhibition of rat SGLT2
50038793	1	ChEMBL_567074 (CHEMBL1030753)	Inhibition of 6-His tagged Staphylococcus aureus recombinant sortase delta N24 expressed in Escherichia coli BL21 (DE3)
50038794	1	ChEMBL_566529 (CHEMBL955115)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50038794	2	ChEMBL_566530 (CHEMBL955116)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50038794	3	ChEMBL_566531 (CHEMBL955117)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50038794	4	ChEMBL_566532 (CHEMBL955118)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells
50038795	1	ChEMBL_567193 (CHEMBL1029105)	Inhibition of human CYP3A4 using DEF substrate
50038795	2	ChEMBL_567194 (CHEMBL1029106)	Inhibition of human CYP3A4 using PPR substrate
50038795	3	ChEMBL_567196 (CHEMBL1029108)	Inhibition of human CYP1A2
50038795	4	ChEMBL_567197 (CHEMBL1029109)	Inhibition of human CYP2D6
50038795	5	ChEMBL_567198 (CHEMBL1029110)	Inhibition of human CYP2C8
50038795	6	ChEMBL_567199 (CHEMBL1029111)	Inhibition of human CYP2C9
50038795	7	ChEMBL_567200 (CHEMBL1029112)	Inhibition of human CYP2C19
50038795	8	ChEMBL_567195 (CHEMBL1029107)	Activation of human CYP3A4 using DEF substrate
50038796	1	ChEMBL_563165 (CHEMBL964269)	Displacement of [35S]MK-0677 from human growth hormone secretagogue receptor
50038796	2	ChEMBL_563166 (CHEMBL964270)	Displacement of [125I]ghrelin from human growth hormone secretagogue receptor expressed in CHO-K1 cells
50038797	1	ChEMBL_563455 (CHEMBL961003)	Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in HEK293 cells
50038797	2	ChEMBL_563456 (CHEMBL961004)	Binding affinity to histamine H3 receptor in rat cerebral cortex
50038797	3	ChEMBL_563458 (CHEMBL961006)	Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in CHO-K1 cells
50038797	4	ChEMBL_563459 (CHEMBL961007)	Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
50038797	5	ChEMBL_563460 (CHEMBL961008)	Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]GTPgammaS binding assay
50038797	6	ChEMBL_563461 (CHEMBL961009)	Displacement of [125I]Iodoproxyfran from human histamine H3 receptor expressed in rat C6 cells
50000916	1	ChEMBL_1698432 (CHEMBL4049322)	Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method
50038798	2	ChEMBL_563473 (CHEMBL961021)	Inhibition of MMP2 by spectrophotometry
50038799	1	ChEMBL_563533 (CHEMBL961820)	Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis
50038799	2	ChEMBL_563524 (CHEMBL961811)	Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells
50038799	3	ChEMBL_563523 (CHEMBL961810)	Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells
50038799	4	ChEMBL_563537 (CHEMBL961824)	Displacement of [3H]SCH23390 from D1 receptor
50038799	5	ChEMBL_563538 (CHEMBL961825)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor
50038799	6	ChEMBL_563540 (CHEMBL961827)	Agonist activity at human D3 receptor expressed in HEK293 cells assessed as stimulation of mitogenesis
50038800	2	ChEMBL_563682 (CHEMBL964243)	Inhibition of MMP2
50000916	2	ChEMBL_1698435 (CHEMBL4049325)	Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method
50000916	3	ChEMBL_1698436 (CHEMBL4049326)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50000916	4	ChEMBL_1698434 (CHEMBL4049324)	Displacement of [125I]CXCL12 from mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method
50000916	5	ChEMBL_1698433 (CHEMBL4049323)	Modulation of prolink-tagged human CXCR7 expressed in CHO-K1 cells assessed as induction of beta-arrestin recruitment after 30 mins by beta-galactosidase reporter assay
50000916	6	ChEMBL_1698459 (CHEMBL4049349)	Inhibition of human ERG by membrane-competitive-binding assay
50038801	2	ChEMBL_563812 (CHEMBL994324)	Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting
50038801	3	ChEMBL_563813 (CHEMBL994325)	Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting
50038801	4	ChEMBL_563814 (CHEMBL994326)	Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting
50038801	5	ChEMBL_563815 (CHEMBL994327)	Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting
50038801	6	ChEMBL_563816 (CHEMBL994328)	Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting
50038801	7	ChEMBL_563792 (CHEMBL993555)	Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP
50038801	9	ChEMBL_563794 (CHEMBL994306)	Inhibition of human cdk2/cyclin A
50038801	11	ChEMBL_563796 (CHEMBL994308)	Inhibition of human cdk4/cyclin D1
50038801	12	ChEMBL_563797 (CHEMBL994309)	Inhibition of human cdk5/p35
50038801	13	ChEMBL_563798 (CHEMBL994310)	Inhibition of human Erk1
50038801	15	ChEMBL_563801 (CHEMBL994313)	Inhibition of human PKCbeta1
50038801	17	ChEMBL_564064 (CHEMBL962519)	Inhibition of human PKCgamma
50038801	18	ChEMBL_564065 (CHEMBL962520)	Inhibition of human PKCdelta
50038801	19	ChEMBL_564066 (CHEMBL962521)	Inhibition of human PKCepsilon
50038801	21	ChEMBL_564068 (CHEMBL962523)	Inhibition of human PKCzeta
50000919	1	ChEMBL_1698554 (CHEMBL4049536)	Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli BL21(DE3) using HPPA as substrate after 10 mins by UV-Vis spectrometric analysis
50038801	22	ChEMBL_563806 (CHEMBL994318)	Inhibition of human GSK3-beta
50038801	23	ChEMBL_563807 (CHEMBL994319)	Inhibition of human insulin receptor
50038801	25	ChEMBL_563811 (CHEMBL994323)	Inhibition of Saccharomyces cerevisiae cdc28
50000919	2	ChEMBL_1698555 (CHEMBL4049537)	Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli JM109 using HPPA as substrate after 10 mins
50038802	1	ChEMBL_564893 (CHEMBL955890)	Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells
50038803	1	ChEMBL_564941 (CHEMBL956719)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane
50038803	2	ChEMBL_564940 (CHEMBL956718)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane
50038804	1	ChEMBL_565095 (CHEMBL965739)	Binding affinity to MDM2
50038805	1	ChEMBL_565356 (CHEMBL955982)	Inhibition of human recombinant Pim1 expressed in insect cells by HTRF
50038806	1	ChEMBL_563706 (CHEMBL992670)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells
50038806	2	ChEMBL_563707 (CHEMBL992671)	Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells
50038806	3	ChEMBL_563708 (CHEMBL992672)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells
50038806	4	ChEMBL_563709 (CHEMBL992673)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of EGTA
50038806	5	ChEMBL_563712 (CHEMBL992676)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells at 1 uM
50038806	6	ChEMBL_563714 (CHEMBL992678)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase in U50488-induced [35S]GTPgammaS binding
50000919	3	ChEMBL_1698556 (CHEMBL4049538)	Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli JM105 using HPPA as substrate after preincubated for 15 min followed by substrate addition by HPLC analysis
50000919	4	ChEMBL_1698551 (CHEMBL4049533)	Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption
50000919	5	ChEMBL_1698544 (CHEMBL4049526)	Inhibition of Arabidopsis thaliana HPPD expressed in Escherichia coli JM105 using 4-HPP as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by HPLC analysis
50000919	6	ChEMBL_1698547 (CHEMBL4049529)	Inhibition of Wistar rat liver HPPD using 4-Hydroxyphenylpyruvate as substrate assessed as reduction in oxygen consumption preincubated for 3 mins followed by substrate addition
50000919	7	ChEMBL_1698550 (CHEMBL4049532)	Inhibition of pig liver HPPD using 4-hydroxyphenylpyruvic acid as substrate after 15 mins by spectrophotometric analysis
50038807	3	ChEMBL_563754 (CHEMBL993517)	Agonist activity against mu opioid receptor expressed in CHO cells assessed as stimulation [35S]GTPgammaS binding relative to basal level
50038807	4	ChEMBL_563752 (CHEMBL993515)	Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells
50038808	1	ChEMBL_563773 (CHEMBL993536)	Displacement of [11C]PK11195 from PBR receptor in rat brain membrane
50038808	2	ChEMBL_563774 (CHEMBL993537)	Displacement of [11C]DAA1106 from PBR receptor in rat brain membrane
50038809	1	ChEMBL_564990 (CHEMBL957525)	Inhibition of human recombinant carbonic anhydrase 7-catalyzed CO2 hydration by stopped flow assay
50038809	2	ChEMBL_564991 (CHEMBL957526)	Inhibition of mouse recombinant carbonic anhydrase 13-catalyzed CO2 hydration by stopped flow assay
50038809	3	ChEMBL_564988 (CHEMBL957523)	Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay
50038809	4	ChEMBL_564987 (CHEMBL957522)	Inhibition of human recombinant carbonic anhydrase 1-catalyzed CO2 hydration by stopped flow assay
50038809	5	ChEMBL_564989 (CHEMBL957524)	Inhibition of human recombinant carbonic anhydrase 4-catalyzed CO2 hydration by stopped flow assay
50038810	1	ChEMBL_565045 (CHEMBL959188)	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells
50038810	2	ChEMBL_565042 (CHEMBL959185)	Binding affinity to human cannabinoid CB1 receptor
50038810	3	ChEMBL_565047 (CHEMBL959190)	Binding affinity to rat spleen cannabinoid CB2 receptor
50038810	4	ChEMBL_565043 (CHEMBL959186)	Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane
50000919	8	ChEMBL_1698557 (CHEMBL4049539)	Inhibition of carrot HPPD expressed in Escherichia coli JM105 using HPPA as substrate
50000919	9	ChEMBL_1698542 (CHEMBL4049524)	Inhibition of pig liver HPPD using HPP as substrate after 15 mins
50000920	1	ChEMBL_1698580 (CHEMBL4049562)	Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation
50000920	2	ChEMBL_1698579 (CHEMBL4049561)	Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggregation preincubated for 15 mins followed by ADP addition measured for 8 mins by aggregometric analysis
50000920	3	ChEMBL_1698587 (CHEMBL4049569)	Displacement of [3H]UR-3189 from integrin alpha2b beta3 receptor in resting human platelet
50000920	4	ChEMBL_1698586 (CHEMBL4049568)	Inhibition of alpha5 beta1 integrin (unknown origin) by cell migration assay
50000920	5	ChEMBL_1698584 (CHEMBL4049566)	Inhibition of alpha5 beta1 integrin (unknown origin)-mediated human K562 cell adhesion to GST-tagged fibronectin after 45 mins by crystal violet staining based spectrophotometric analysis
50000920	6	ChEMBL_1698583 (CHEMBL4049565)	Inhibition of biotin-fibronectin binding to human placental ruthenium-labelled BV-tagged alpha5beta1 integrin measured after 6 hrs by electrochemiluminesence assay
50000920	7	ChEMBL_1698585 (CHEMBL4049567)	Inhibition of alpha5 beta1 integrin (unknown origin) by cell proliferation assay
50000920	8	ChEMBL_1698578 (CHEMBL4049560)	Antagonist activity at integrin alpha2b beta3 receptor in human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggregation by light transmittance agregometric analysis
50000921	1	ChEMBL_1698704 (CHEMBL4049686)	Partial agonist activity at recombinant human GAL4-DBD-fused LXRbeta-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay
50000921	2	ChEMBL_1698703 (CHEMBL4049685)	Partial agonist activity at recombinant human GAL4-DBD-fused LXRalpha-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay
50000922	1	ChEMBL_1698722 (CHEMBL4049704)	Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated for 1 hr followed by substrate addition measured after 80 mins by fluorescence polarization assay
50000922	2	ChEMBL_1698720 (CHEMBL4049702)	Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in beta5 inhibitor MG132 pretreated human HeLa cells expressing UbG76V-GFP assessed as reduction in UbG76V-GFP degradation rate by fluorescence microscopic method
50000922	3	ChEMBL_1698729 (CHEMBL4049711)	Inhibition of AMSH (unknown origin) using DiUbK63TAMRA as substrate by fluorescence assay
50000922	4	ChEMBL_1698728 (CHEMBL4049710)	Inhibition of human carbonic anhydrase-2 using p-nitrophenylacetate as substrate preincubated for 10 mins followed by substrate addition
50000922	5	ChEMBL_1698727 (CHEMBL4049709)	Inhibition of recombinant human 5-LO expressed in baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured every minute for 20 mins by H2DCFDA dye based fluorescence assay
50000922	6	ChEMBL_1698724 (CHEMBL4049706)	Inhibition of CSN5 (unknown origin) using SCFskp2-Nedd8OG as substrate after 1 hr by fluorescence polarization assay
50000922	7	ChEMBL_1698719 (CHEMBL4049701)	Inhibition of recombinant human MMP2 catalytic domain (Tyr110 to Asp452 residues) expressed in yeast using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 30 mins followed by substrate addition measured every minute for 20 mins by fluorescence assay
50000922	8	ChEMBL_1698726 (CHEMBL4049708)	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus expression system using substrate 3 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000922	9	ChEMBL_1698725 (CHEMBL4049707)	Inhibition of full length recombinant human C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus expression system using substrate 3 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50000922	10	ChEMBL_1698732 (CHEMBL4049714)	Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated for 1 hr followed by substrate addition measured after 80 mins in presence of Zn(cyclen)2+ by fluorescence polarization assay
50000923	1	ChEMBL_1698853 (CHEMBL4049835)	Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50000923	2	ChEMBL_1698854 (CHEMBL4049836)	Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method
50000923	3	ChEMBL_1698855 (CHEMBL4049837)	Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50000923	4	ChEMBL_1698858 (CHEMBL4049840)	Antagonist activity at recombinant human mu-opioid receptor expressed in CHO cell membranes assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 4 hrs by microbeta scintillation counting method
50000923	5	ChEMBL_1698859 (CHEMBL4049841)	Antagonist activity at recombinant human kappa-opioid receptor expressed in CHO cell membranes assessed as inhibition of U69593-induced [35S]GTPgammaS binding after 4 hrs by microbeta scintillation counting method
50000923	6	ChEMBL_1698860 (CHEMBL4049842)	Antagonist activity at recombinant human delta-opioid receptor expressed in HEK293 cell membranes assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding after 2 hrs by microbeta scintillation counting method
50000924	1	ChEMBL_1698914 (CHEMBL4049896)	Inhibition of human SOAT1
50000924	2	ChEMBL_1698913 (CHEMBL4049895)	Inhibition of human SOAT2
50000926	1	ChEMBL_1698978 (CHEMBL4049960)	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method
50000926	2	ChEMBL_1698980 (CHEMBL4049962)	Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method
50038825	4	ChEMBL_565185 (CHEMBL958391)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038825	9	ChEMBL_565189 (CHEMBL958395)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50038826	1	ChEMBL_565688 (CHEMBL960046)	Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot and Dixon plot
50038826	2	ChEMBL_565685 (CHEMBL960043)	Inhibition of Clostridium perfringens neuraminidase by fluorimetry
50038827	1	ChEMBL_501258 (CHEMBL976160)	Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay
50038827	2	ChEMBL_501260 (CHEMBL976162)	Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay
50038827	3	ChEMBL_501259 (CHEMBL976161)	Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay
50038827	4	ChEMBL_501257 (CHEMBL976159)	Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay
50038828	1	ChEMBL_497534 (CHEMBL995909)	Inhibition of PI3Kalpha by luminescent kinase glo assay
50038828	2	ChEMBL_497535 (CHEMBL995910)	Inhibition of PI3Kgamma by luminescent kinase glo assay
50038829	1	ChEMBL_501320 (CHEMBL971506)	Displacement of [3H]nicotinic acid from human GPR109a receptor
50038829	2	ChEMBL_501319 (CHEMBL971505)	Displacement of [3H]nicotinic acid from mouse GPR109a receptor
50038830	1	ChEMBL_501648 (CHEMBL993738)	Inhibition of aurora A kinase
50038830	2	ChEMBL_501649 (CHEMBL993739)	Inhibition of aurora B kinase
50038830	3	ChEMBL_501652 (CHEMBL993742)	Inhibition of aurora C kinase
50038830	4	ChEMBL_501653 (CHEMBL993743)	Inhibition of Lck
50038830	5	ChEMBL_501659 (CHEMBL981407)	Inhibition of Flt3
50038830	6	ChEMBL_501660 (CHEMBL981408)	Inhibition of Abl
50038830	7	ChEMBL_501661 (CHEMBL981409)	Inhibition of Abl T315I mutant
50038830	8	ChEMBL_501662 (CHEMBL981410)	Binding affinity to Jak2
50038830	9	ChEMBL_501663 (CHEMBL981411)	Binding affinity to Plk4
50038830	10	ChEMBL_501664 (CHEMBL981412)	Binding affinity to Ret
50038830	11	ChEMBL_501665 (CHEMBL981413)	Binding affinity to TrkA
50038830	12	ChEMBL_501666 (CHEMBL981414)	Binding affinity to Blk
50038830	13	ChEMBL_501667 (CHEMBL981415)	Binding affinity to PRAK2
50038830	14	ChEMBL_501668 (CHEMBL981416)	Binding affinity to Kit
50038830	15	ChEMBL_501669 (CHEMBL981417)	Binding affinity to PDGFRA
50038830	16	ChEMBL_501670 (CHEMBL981418)	Binding affinity to PDGFRB
50038830	17	ChEMBL_501671 (CHEMBL981419)	Inhibition of cKIT
50038830	18	ChEMBL_501673 (CHEMBL981421)	Inhibition of Gsk3beta
50038830	19	ChEMBL_501674 (CHEMBL981422)	Inhibition of Src
50038830	20	ChEMBL_501683 (CHEMBL981431)	Inhibition of aurora B in human SW620 cells assessed as inhibition of histone H3 phosphorylation
50038830	21	ChEMBL_501691 (CHEMBL981439)	Binding affinity to Abl2
50038830	22	ChEMBL_501692 (CHEMBL981440)	Inhibition of FGFR1
50038830	23	ChEMBL_501693 (CHEMBL981441)	Binding affinity to Jak3
50038830	24	ChEMBL_501694 (CHEMBL981442)	Inhibition of VEGFR2
50038830	25	ChEMBL_501672 (CHEMBL981420)	Inhibition of FAK
50038830	26	ChEMBL_501650 (CHEMBL993740)	Inhibition of aurora A autophosphorylation in human HCT116 cells by immunofluorescence method
50038830	27	ChEMBL_501651 (CHEMBL993741)	Inhibition of aurora B in human HCT116 cells assessed as inhibition of histone H3 Ser10 phosphorylation by immunofluorescence method
50000927	1	ChEMBL_1699069 (CHEMBL4050051)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 mins by UV-Vis spectrophotometric method
50038831	1	ChEMBL_501719 (CHEMBL982355)	Inhibition of cPLA2 in human platelets assessed as arachidonic acid release
50038832	1	ChEMBL_544086 (CHEMBL1019546)	Antagonist activity at human PPARgamma receptor expressed in Saccharomyces cerevisiae AH109 co-transfected with mouse CBP assessed as inhibition of rosiglitazone-induced LBD-CBP interaction by alpha-galactosidase based yeast two hybrid assay
50038833	1	ChEMBL_544669 (CHEMBL1009246)	Inhibition of human carbonic anhydrase 12 by CO2 hydration assay
50038833	2	ChEMBL_544670 (CHEMBL1009247)	Inhibition of human carbonic anhydrase 14 by CO2 hydration assay
50038833	3	ChEMBL_544671 (CHEMBL1009248)	Inhibition of human carbonic anhydrase 7 by CO2 hydration assay
50038834	2	ChEMBL_543935 (CHEMBL1020370)	Binding affinity to yeast Hsp90 ATPase activity
50038834	3	ChEMBL_543937 (CHEMBL1020372)	Binding affinity to Hsp90 by fluorescence polarization assay
50038834	4	ChEMBL_543925 (CHEMBL1020360)	Inhibition of Hsp90
50038834	5	ChEMBL_543938 (CHEMBL1023067)	Inhibition of Hsp90 by surface plasmon resonance assay
50038834	6	ChEMBL_543941 (CHEMBL1023070)	Binding affinity to Hsp90 ATPase activity in human MCF7 cells
50038834	7	ChEMBL_543921 (CHEMBL1020356)	Binding affinity to Hsp90 in human SKBR3 cells
50038834	8	ChEMBL_543926 (CHEMBL1020361)	Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradation
50038834	9	ChEMBL_543919 (CHEMBL1020354)	Binding affinity to N-terminal ATP/ADP-binding domain of yeast Hsp90
50038834	10	ChEMBL_543920 (CHEMBL1020355)	Inhibition of Her2 in human SKBR3 cells
50038834	11	ChEMBL_543929 (CHEMBL1020364)	Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradation
50038835	1	ChEMBL_544514 (CHEMBL1013486)	Inhibition of human erythrocytes mu-calpain
50038836	1	ChEMBL_540192 (CHEMBL1029821)	Inhibition of human DHFR
50038836	2	ChEMBL_540193 (CHEMBL1029822)	Inhibition of human thymidylate synthase
50038836	3	ChEMBL_540194 (CHEMBL1029823)	Inhibition of Toxoplasma gondii TS-DHFR
50038837	1	ChEMBL_540379 (CHEMBL1025722)	Inhibition of IGF1R
50038837	2	ChEMBL_540380 (CHEMBL1025723)	Inhibition of IGF1R phosphorylation by cellular assay
50038837	3	ChEMBL_540381 (CHEMBL1025724)	Inhibition of IR
50038837	4	ChEMBL_540382 (CHEMBL1025725)	Inhibition of ALK
50038837	5	ChEMBL_540383 (CHEMBL1025726)	Inhibition of PI3K
50038837	6	ChEMBL_540385 (CHEMBL1025728)	Inhibition of AKT
50038838	1	ChEMBL_540454 (CHEMBL1029071)	Antagonist activity at human Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
50038838	2	ChEMBL_540453 (CHEMBL1029070)	Antagonist activity at mouse Smo receptor expressed in CHO cells by [3H]Hh-Ag binding assay
50038838	3	ChEMBL_540455 (CHEMBL1029072)	Inhibition of MTP in human HepG2 cells assessed as apolipoprotein B production by ELISA
50038839	1	ChEMBL_540492 (CHEMBL1030596)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cells
50038839	2	ChEMBL_540493 (CHEMBL1030597)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO cells
50000927	2	ChEMBL_1699068 (CHEMBL4050050)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 mins by UV-Vis spectrophotometric method
50038839	3	ChEMBL_540494 (CHEMBL1030598)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells
50038839	4	ChEMBL_540495 (CHEMBL1030599)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells
50038839	5	ChEMBL_540496 (CHEMBL1030600)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells
50038839	6	ChEMBL_540497 (CHEMBL1030601)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50038840	1	ChEMBL_499840 (CHEMBL972472)	Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method
50038840	2	ChEMBL_499839 (CHEMBL972471)	Inhibition of human recombinant full length carbonic anhydrase 2 by stopped flow CO2 hydration method
50038840	3	ChEMBL_499838 (CHEMBL972470)	Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydration method
50038840	4	ChEMBL_499837 (CHEMBL972469)	Inhibition of human recombinant full length carbonic anhydrase 14 by stopped flow CO2 hydration method
50038841	1	ChEMBL_523689 (CHEMBL998034)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells
50038841	2	ChEMBL_523688 (CHEMBL997203)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells
50038842	1	ChEMBL_523452 (CHEMBL1008304)	Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay
50038842	2	ChEMBL_523447 (CHEMBL1008299)	Binding affinity to histamine H3 receptor
50038842	3	ChEMBL_523444 (CHEMBL1008296)	Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting
50038842	4	ChEMBL_523445 (CHEMBL1008297)	Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting
50038842	5	ChEMBL_523727 (CHEMBL1007534)	Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay
50038842	6	ChEMBL_523728 (CHEMBL1007535)	Binding affinity to rat histamine H3 receptor
50038843	1	ChEMBL_523462 (CHEMBL995340)	Displacement of [3H]PSB0413 from human platelet P2Y12 receptor
50038843	2	ChEMBL_523464 (CHEMBL995342)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells assessed as ratio of IC50 in presence of GTP to absence of GTP by GTP shift assay
50038844	1	ChEMBL_523526 (CHEMBL1000648)	Antagonist activity at human cloned kappa opioid receptor assessed as inhibition of 50 nM U50488H-stimulated GTPgammaS binding by cell based assay
50000928	1	ChEMBL_1699091 (CHEMBL4050073)	Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter binding method
50000928	2	ChEMBL_1699092 (CHEMBL4050074)	Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter binding method
50038844	5	ChEMBL_523527 (CHEMBL1000649)	Antagonist activity at human cloned mu opioid receptor assessed as inhibition of 100 nM loperamide-stimulated GTPgammaS binding by cell based assay
50038844	6	ChEMBL_523517 (CHEMBL1004967)	Binding affinity to kappa opioid receptor in guinea pig brain membrane
50038844	7	ChEMBL_523518 (CHEMBL1004968)	Binding affinity to mu opioid receptor in guinea pig brain membrane
50000928	3	ChEMBL_1699093 (CHEMBL4050075)	Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter binding method
50000929	1	ChEMBL_1699174 (CHEMBL4050156)	Inhibition of human DGAT1 expressed in yeast membrane fraction assessed as inhibition of triglyceride formation using diolein/oleoyl-CoA as substrate measured after 1 hr by 7-diethylamino-3-(4'-maleimidylphenyl)-4-methylcoumarin based fluorescence analysis
50038845	4	ChEMBL_523576 (CHEMBL997226)	Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50038845	6	ChEMBL_523579 (CHEMBL997229)	Agonist activity at human MC5R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50000929	2	ChEMBL_1699175 (CHEMBL4050157)	Inhibition of CYP2C9 (unknown origin)
50038845	8	ChEMBL_523578 (CHEMBL997228)	Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level
50000929	3	ChEMBL_1699176 (CHEMBL4050158)	Inhibition of MK499 binding to human ERG
50038846	1	ChEMBL_520160 (CHEMBL947848)	Inhibition of human liver CE1-mediated O-nitrophenyl acetate hydrolysis by spectrophotometry
50038847	1	ChEMBL_520168 (CHEMBL947856)	Binding affinity to human adenosine A2B receptor
50038847	2	ChEMBL_520169 (CHEMBL947857)	Binding affinity to human adenosine A3 receptor
50038847	3	ChEMBL_520170 (CHEMBL947858)	Binding affinity to rat adenosine A1 receptor
50038847	4	ChEMBL_520171 (CHEMBL947859)	Binding affinity to rat adenosine A2A receptor
50038847	5	ChEMBL_520172 (CHEMBL947860)	Binding affinity to rat adenosine A2B receptor
50038847	6	ChEMBL_520173 (CHEMBL947861)	Binding affinity to rat adenosine A3 receptor
50038847	7	ChEMBL_520174 (CHEMBL947862)	Binding affinity to mouse adenosine A2B receptor
50038847	8	ChEMBL_520193 (CHEMBL951836)	Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cells by kinetic experiment
50038847	9	ChEMBL_520197 (CHEMBL951840)	Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cells by saturation experiment
50038847	10	ChEMBL_520205 (CHEMBL951848)	Displacement of [3H]PSB-603 from mouse recombinant adenosine A2B receptor expressed in CHO cells
50038847	11	ChEMBL_520180 (CHEMBL948832)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells
50038847	12	ChEMBL_520200 (CHEMBL951843)	Displacement of [3H]MRS-1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells
50038847	13	ChEMBL_520201 (CHEMBL951844)	Displacement of [3H]MRE-2029F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells
50038847	14	ChEMBL_520203 (CHEMBL951846)	Displacement of [125I]I-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells
50038847	15	ChEMBL_520202 (CHEMBL951845)	Displacement of [125I]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells
50038847	16	ChEMBL_520192 (CHEMBL951835)	Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concentration by fluorimetric measurement in presence of MSX-2
50038847	17	ChEMBL_520176 (CHEMBL947864)	Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor
50038847	18	ChEMBL_520177 (CHEMBL947865)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50038847	19	ChEMBL_520178 (CHEMBL948830)	Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor
50038847	20	ChEMBL_520179 (CHEMBL948831)	Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells
50038847	21	ChEMBL_520181 (CHEMBL948833)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells
50038847	22	ChEMBL_520166 (CHEMBL947854)	Binding affinity to human adenosine A1 receptor
50038847	23	ChEMBL_520167 (CHEMBL947855)	Binding affinity to human adenosine A2A receptor
50038848	1	ChEMBL_521247 (CHEMBL1002558)	Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)
50038849	1	ChEMBL_521734 (CHEMBL1005024)	Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitation spectrofluorimetric analysis
50038849	4	ChEMBL_521733 (CHEMBL1005023)	Agonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitation spectrofluorimetric analysis
50038849	5	ChEMBL_521715 (CHEMBL1001626)	Agonist activity at rat pancreas P2Y1 receptor assessed as enhancement of insulin secretion
50038850	1	ChEMBL_545078 (CHEMBL1017194)	Inhibition of human VEGFR1
50038850	2	ChEMBL_545079 (CHEMBL1017195)	Inhibition of human VEGFR3
50038850	3	ChEMBL_545066 (CHEMBL1017182)	Inhibition of human VEGFR2 expressed in Sf9 cells
50038850	4	ChEMBL_545068 (CHEMBL1017184)	Inhibition of human IGFR1
50038850	5	ChEMBL_545069 (CHEMBL1017185)	Inhibition of human InsR
50038850	7	ChEMBL_545071 (CHEMBL1017187)	Inhibition of human CDK4
50038850	8	ChEMBL_545072 (CHEMBL1017188)	Inhibition of human EGFR
50038850	9	ChEMBL_545073 (CHEMBL1017189)	Inhibition of human HER2
50038850	10	ChEMBL_545074 (CHEMBL1017190)	Inhibition of human Plk1
50038850	11	ChEMBL_545105 (CHEMBL1018047)	Inhibition of human Src
50038850	12	ChEMBL_545108 (CHEMBL1018050)	Inhibition of human Flt3
50038850	13	ChEMBL_545107 (CHEMBL1018049)	Inhibition of human Lyn
50038850	14	ChEMBL_545106 (CHEMBL1018048)	Inhibition of human Lck
50038850	15	ChEMBL_545077 (CHEMBL1017193)	Inhibition of human PDGFRalpha
50038850	16	ChEMBL_545076 (CHEMBL1017192)	Inhibition of human FGFR1
50038851	1	ChEMBL_545772 (CHEMBL1027667)	Inhibition of human ERG channel
50038852	1	ChEMBL_546018 (CHEMBL1028496)	Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane
50038852	2	ChEMBL_546019 (CHEMBL1028497)	Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane
50038852	3	ChEMBL_546021 (CHEMBL1028499)	Agonist activity at human recombinant alpha4beta2 nicotinic acetylcholine receptor expressed in HEK293 cells assessed as changes in intracellular calcium level by FLIPR
50038852	4	ChEMBL_546023 (CHEMBL1034198)	Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiological assay
50000929	4	ChEMBL_1699178 (CHEMBL4050160)	Inhibition of CYP3A4 (unknown origin)
50038853	1	ChEMBL_502102 (CHEMBL983227)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50038853	2	ChEMBL_502280 (CHEMBL983951)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain
50038854	1	ChEMBL_501553 (CHEMBL986820)	Activation of mouse wild type TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium concentration
50000929	5	ChEMBL_1699179 (CHEMBL4050161)	Inhibition of PXR (unknown origin)
50000929	6	ChEMBL_1699185 (CHEMBL4050167)	Inhibition of mouse DGAT1 assessed as inhibition of triglyceride formation
50038855	1	ChEMBL_498279 (CHEMBL972521)	Inhibition of ABL1
50038855	6	ChEMBL_498285 (CHEMBL972527)	Inhibition of CDK2/cyclinA
50038855	21	ChEMBL_498300 (CHEMBL972542)	Inhibition of FLT3
50038855	35	ChEMBL_498317 (CHEMBL973455)	Inhibition of PIM1
50038855	37	ChEMBL_498320 (CHEMBL973458)	Inhibition of PLK2
50038855	39	ChEMBL_498322 (CHEMBL973460)	Inhibition of ROCK1
50038855	45	ChEMBL_498323 (CHEMBL973461)	Inhibition of RSK1
50038856	1	ChEMBL_498579 (CHEMBL1021078)	Inhibition of HCV1b Con1 NS5B assessed as [3H]UTP incorporation into RNA by scintillation counting
50038857	1	ChEMBL_498597 (CHEMBL1021924)	Binding affinity to human recombinant HSP90
50038858	1	ChEMBL_498696 (CHEMBL971530)	Antagonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization
50038858	2	ChEMBL_498709 (CHEMBL974436)	Antagonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization
50038858	4	ChEMBL_498708 (CHEMBL974435)	Agonist activity at N-terminal HA epitope-tagged wild type 4 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium level
50038858	5	ChEMBL_498707 (CHEMBL971541)	Agonist activity at N-terminal HA epitope-tagged wild type 3 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium level
50000930	1	ChEMBL_1699212 (CHEMBL4050194)	Inhibition of human mTOR/FRAP1 using 4EBP1 as substrate in presence of [gamma-32P]ATP
50038859	1	ChEMBL_498764 (CHEMBL1021956)	Inhibition of human erythrocytes mu-calpain after 30 mins by fluorometric assay using pep1 as substrate
50038859	2	ChEMBL_498765 (CHEMBL1021957)	Inhibition of human erythrocytes mu-calpain by fluorometric assay using pep2 as substrate
50038859	3	ChEMBL_498766 (CHEMBL1021958)	Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assay
50000930	2	ChEMBL_1699220 (CHEMBL4050202)	Inhibition of PI3Kalpha (unknown origin)
50038859	4	ChEMBL_498767 (CHEMBL1021959)	Inhibition of human liver cathepsin L after 30 mins by fluorometric end-point assay
50000930	3	ChEMBL_1699202 (CHEMBL4050184)	Inhibition of recombinant human GST-tagged Mps1/TTK (507 to 1400 residues) using recombinant cetn2 as substrate in presence of [gamma-32P]ATP measured after 30 mins by phosphor imaging method
50038859	5	ChEMBL_498768 (CHEMBL1021960)	Inhibition of human liver cathepsin H after 30 mins by fluorometric end-point assay
50000930	4	ChEMBL_1699206 (CHEMBL4050188)	Inhibition of human FAK/PTK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50038859	6	ChEMBL_498769 (CHEMBL1021961)	Inhibition of human liver cathepsin D after 30 mins by fluorometric end-point assay
50000930	5	ChEMBL_1699216 (CHEMBL4050198)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50038860	1	ChEMBL_499917 (CHEMBL979827)	Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells
50038860	2	ChEMBL_499916 (CHEMBL979826)	Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells
50038860	3	ChEMBL_499923 (CHEMBL979833)	Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells
50038860	4	ChEMBL_499924 (CHEMBL979834)	Displacement of [3H]pyrilamine from human histamine receptor subtype 1 expressed in CHO cells
50038861	1	ChEMBL_500098 (CHEMBL973384)	Inhibition of human erythrocytes mu-calpain by spectrofluorimeter
50038862	1	ChEMBL_499481 (CHEMBL1021973)	Inhibition of Carica papaya papain by spectrofluorimetry
50000930	6	ChEMBL_1699217 (CHEMBL4050199)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of [gamma-32P]ATP
50038862	2	ChEMBL_499483 (CHEMBL1021975)	Inhibition of cathepsin B by spectrofluorimetry
50038862	3	ChEMBL_499484 (CHEMBL1021976)	Inhibition of cathepsin G by spectrofluorimetry
50038863	1	ChEMBL_499790 (CHEMBL969584)	Inhibition of SHH-mediated mouse C3H10T1/2 cells differentiation into osteoblasts by alkaline phosphatase assay
50038863	2	ChEMBL_499791 (CHEMBL972423)	Inhibition of lipid-modified (octylated) form of SHH expressed in mouse s12 cells by luciferase reporter gene assay
50038863	3	ChEMBL_499789 (CHEMBL969583)	Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay
50038863	4	ChEMBL_499799 (CHEMBL972431)	Inhibition of Gli1-mediated transcription expressed in human PANC1 cells
50038863	5	ChEMBL_499800 (CHEMBL972432)	Inhibition of Gli2-mediated transcription expressed in human PANC1 cells
50038863	6	ChEMBL_499802 (CHEMBL972434)	Binding affinity to SHH
50038864	1	ChEMBL_499970 (CHEMBL1019340)	Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay
50038864	2	ChEMBL_499971 (CHEMBL1019341)	Transrepression activity at GR in PMA-stimulated human A549 cells assessed as inhibition of AP1 response element-induced luciferase reporter gene activity
50038864	3	ChEMBL_499972 (CHEMBL1019342)	Transrepression activity at GR in IL-1-beta-stimulated human A549 cells assessed as inhibition of NF-kappaB-dependent E-selectin transcription by luciferase reporter gene assay
50038864	4	ChEMBL_499975 (CHEMBL1022034)	Agonist activity at GR ligand binding domain expressed in human NP1 cells assessed as glucocorticoid response element transactivation by GAL4 luciferase reporter gene assay
50038864	5	ChEMBL_499977 (CHEMBL1022889)	Displacement of radioligand from progesterone receptor by fluorescence polarization assay
50038864	6	ChEMBL_499978 (CHEMBL1022890)	Displacement of radioligand from estrogen receptor alpha by fluorescence polarization assay
50038864	7	ChEMBL_499981 (CHEMBL1022893)	Displacement of radioligand from androgen receptor by fluorescence polarization assay
50038865	1	ChEMBL_500244 (CHEMBL966882)	Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells
50038865	2	ChEMBL_500246 (CHEMBL966884)	Inhibition of serotonin uptake at human SERT expressed in human JAR cells
50038865	3	ChEMBL_500249 (CHEMBL966887)	Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells
50038866	1	ChEMBL_501174 (CHEMBL975287)	Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay
50038866	2	ChEMBL_501175 (CHEMBL975288)	Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay
50038867	1	ChEMBL_572336 (CHEMBL1033546)	Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as increase in cAMP production after 2 days by radioimmunoassay
50000930	7	ChEMBL_1699221 (CHEMBL4050203)	Inhibition of PI3Kbeta (unknown origin)
50000930	8	ChEMBL_1699210 (CHEMBL4050192)	Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50000930	9	ChEMBL_1699213 (CHEMBL4050195)	Inhibition of human PKACA using LCGRTGRRNSI as substrate in presence of [gamma-32P]ATP
50000930	10	ChEMBL_1699214 (CHEMBL4050196)	Inhibition of human PKCa using histone H1 as substrate in presence of [gamma-32P]ATP
50000930	11	ChEMBL_1699218 (CHEMBL4050200)	Inhibition of human YES/YES1 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50000930	12	ChEMBL_1699203 (CHEMBL4050185)	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate in presence of [gamma-32P]ATP
50000930	13	ChEMBL_1699201 (CHEMBL4050183)	Inhibition of human AKT1 using KGSGSGRPRTSSFAEG as substrate in presence of [gamma-32P]ATP
50000930	14	ChEMBL_1699204 (CHEMBL4050186)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate in presence of [gamma-32P]ATP
50000930	15	ChEMBL_1699207 (CHEMBL4050189)	Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of [gamma-32P]ATP
50000930	16	ChEMBL_1699209 (CHEMBL4050191)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50000930	17	ChEMBL_1699205 (CHEMBL4050187)	Inhibition of human CDK4/cyclinD1 using RB-CTF as substrate in presence of [gamma-32P]ATP
50000930	18	ChEMBL_1699208 (CHEMBL4050190)	Inhibition of human JNK1 using ATF2 as substrate in presence of [gamma-32P]ATP
50000930	19	ChEMBL_1699211 (CHEMBL4050193)	Inhibition of human MEK1 using ERK2 as substrate in presence of [gamma-32P]ATP
50000930	20	ChEMBL_1699215 (CHEMBL4050197)	Inhibition of human PKCg using histone H1 as substrate in presence of [gamma-32P]ATP
50038867	3	ChEMBL_572334 (CHEMBL1033544)	Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as increase in cAMP production after 2 days by radioimmunoassay
50000930	21	ChEMBL_1699219 (CHEMBL4050201)	Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-32P]ATP
50038868	1	ChEMBL_570760 (CHEMBL1026935)	Inhibition of GST-tagged human IGF1R expressed in Sf9-baculovirus system
50038868	2	ChEMBL_570761 (CHEMBL1026936)	Inhibition of IGF1-induced human IGF1R phosphorylation expressed in mouse NIH-3T3 cells treated 2 hrs prior to IGF1 challenge by DELFIA
50038868	3	ChEMBL_570762 (CHEMBL1026937)	Inhibition of IKK1
50038868	4	ChEMBL_570763 (CHEMBL1026938)	Inhibition of IKK2
50038868	5	ChEMBL_570764 (CHEMBL1026939)	Inhibition of JNK1
50038868	6	ChEMBL_570765 (CHEMBL1026940)	Inhibition of JNK3
50038868	7	ChEMBL_570766 (CHEMBL1026941)	Inhibition of LYN
50038868	8	ChEMBL_570767 (CHEMBL1026942)	Inhibition of SYK
50038869	1	ChEMBL_571638 (CHEMBL1031293)	Inhibition of human erythrocyte glutathione reductase
50038870	1	ChEMBL_572248 (CHEMBL1031026)	Inhibition of ELOVL6 in mouse H2.35 cells assessed as reduction in elongation index using [14C]palmitic acid as radiotracer after 4 hrs by radio-HPLC analysis
50038870	2	ChEMBL_572238 (CHEMBL1031016)	Inhibition of human ELOVL6 expressed in Pichia pastoris SND1168
50038870	3	ChEMBL_572244 (CHEMBL1031022)	Inhibition of mouse ELOVL6 expressed in Pichia pastoris SND1168
50038870	4	ChEMBL_572240 (CHEMBL1031018)	Inhibition of human ELOVL3 expressed in Pichia pastoris SND1168
50038870	5	ChEMBL_572247 (CHEMBL1031025)	Inhibition of human ERG channel
50038870	6	ChEMBL_572245 (CHEMBL1031023)	Inhibition of mouse ELOVL3 expressed in Pichia pastoris SND1168
50038870	7	ChEMBL_572241 (CHEMBL1031019)	Inhibition of human ELOVL1 expressed in Pichia pastoris SND1168
50038870	8	ChEMBL_572242 (CHEMBL1031020)	Inhibition of human ELOVL2 expressed in Pichia pastoris SND1168
50038870	9	ChEMBL_572243 (CHEMBL1031021)	Inhibition of human ELOVL5 expressed in Pichia pastoris SND1168
50038871	1	ChEMBL_572279 (CHEMBL1031057)	Inhibition of influenza A virus A/WSN/1933 H1N1 neuraminidase using NA-STAR substrate after 15 mins incubation at room temperature by fluorescent assay
50038872	1	ChEMBL_572700 (CHEMBL1026899)	Displacement of [125I]ovine-CRF from CRF1 receptor in rat frontal cortex by rapid filtration technique
50038872	2	ChEMBL_572722 (CHEMBL1030146)	Antagonist activity at CRF1 receptor in human Y-79 cells assessed as inhibition of CRF-induced cAMP production after 30 mins by HTRF analysis
50038872	3	ChEMBL_572724 (CHEMBL1030148)	Displacement of [125I]sauvagine from CRF2 receptor in pig choroid plexus by rapid filtration technique
50038873	1	ChEMBL_571116 (CHEMBL1030416)	Inhibition of yeast glyoxalase 1
50038874	1	ChEMBL_571702 (CHEMBL1032150)	Displacement of fluormone from human recombinant glucocorticoid receptor ligand binding domain by fluorescence polarization assay
50038875	3	ChEMBL_571744 (CHEMBL1032989)	Inhibition of human recombinant IMPDH1 expressed in Escherichia coli guaB assessed as NADH production by fluorescence assay
50038875	4	ChEMBL_571745 (CHEMBL1032990)	Inhibition of human recombinant IMPDH2 expressed in Escherichia coli guaB assessed as NADH production by fluorescence assay
50038876	1	ChEMBL_575181 (CHEMBL1024528)	Displacement of [125I]LTT-SRIF-28 from human sst2 receptor by autoradiography
50000931	1	ChEMBL_1699300 (CHEMBL4050282)	Inhibition of CK2alpha (unknown origin) (1 to 335 residues) using 5-TAMRA-RADDSDDDDD as substrate after 30 mins by fluorescence imaging method
50038876	2	ChEMBL_575179 (CHEMBL1024526)	Displacement of [125I]LTT-SRIF-28 from human sst3 receptor by autoradiography
50038876	3	ChEMBL_575182 (CHEMBL1024529)	Displacement of [125I]LTT-SRIF-28 from human sst4 receptor by autoradiography
50038876	4	ChEMBL_575183 (CHEMBL1024530)	Displacement of [125I]LTT-SRIF-28 from human sst5 receptor by autoradiography
50000931	2	ChEMBL_1699299 (CHEMBL4050281)	Binding affinity to bovine serum albumin by fluorescence anisotropy based method
50000931	3	ChEMBL_1699297 (CHEMBL4050279)	Inhibition of ARC-1504 binding to CK2alpha (unknown origin) (1 to 335 residues) measured after 15 mins by fluorescence anisotropic method
50038876	5	ChEMBL_575184 (CHEMBL1024531)	Agonist activity at human sst1 receptor expressed in Chinese hamster CCL39 cells by luciferase reporter gene assay relative to somatostatin-14
50038876	6	ChEMBL_575180 (CHEMBL1024527)	Displacement of [125I]LTT-SRIF-28 from human sst1 receptor by autoradiography
50038876	7	ChEMBL_575200 (CHEMBL1024547)	Binding affinity to sst1 receptor in human prostate cancer cells by autoradiography
50038877	1	ChEMBL_575368 (CHEMBL1027042)	Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay
50038878	1	ChEMBL_575377 (CHEMBL1027051)	Displacement of [3H]DAMGO from mu opioid receptor in rat cerebellum membrane
50038878	2	ChEMBL_575378 (CHEMBL1027052)	Displacement of [3H]DADLE from delta opioid receptor in rat cerebellum membrane
50038878	3	ChEMBL_575379 (CHEMBL1027053)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig cerebellum
50038879	1	ChEMBL_575586 (CHEMBL1036431)	Inhibition of PTP1B
50038880	1	ChEMBL_576021 (CHEMBL1023647)	Inhibition of human purine nucleoside phosphorylase
50038881	1	ChEMBL_573947 (CHEMBL1059439)	Displacement of [3H]SYM from rat recombinant GluR5(Q) RNA-edited isoform expressed in baculovirus infected Sf9 cells
50038881	2	ChEMBL_573948 (CHEMBL1059440)	Displacement of [3H]KA from rat recombinant GluR6(VCR) RNA-edited isoform expressed in baculovirus infected Sf9 cells
50038881	3	ChEMBL_573949 (CHEMBL1059441)	Displacement of [3H]SYM from rat recombinant GluR7A expressed in baculovirus infected Sf9 cells
50038881	4	ChEMBL_573950 (CHEMBL1059442)	Agonist activity at rat recombinant GluR1 flip isoform expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	5	ChEMBL_573952 (CHEMBL1059444)	Agonist activity at rat recombinant GluR2(Q) RNA-edited isoform expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	6	ChEMBL_573954 (CHEMBL1059446)	Agonist activity at rat recombinant GluR3 flip isomer expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	7	ChEMBL_573956 (CHEMBL1059448)	Agonist activity at rat recombinant GluR4 flip isomer expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	8	ChEMBL_573958 (CHEMBL1062119)	Agonist activity at rat recombinant GluR5(Q) RNA-edited isoform expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	9	ChEMBL_573960 (CHEMBL1062121)	Agonist activity at rat recombinant GluR6(Q) RNA-edited isoform expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4/AM assay
50038881	10	ChEMBL_573943 (CHEMBL1059435)	Displacement of [3H]AMPA from rat recombinant GluR1 flop isoform expressed in baculovirus infected Sf9 cells
50038881	11	ChEMBL_573944 (CHEMBL1059436)	Displacement of [3H]AMPA from rat recombinant GluR2(R) RNA-edited flop isoform expressed in baculovirus infected Sf9 cells
50038881	12	ChEMBL_573945 (CHEMBL1059437)	Displacement of [3H]AMPA from rat recombinant GluR3 flop isoform expressed in baculovirus infected Sf9 cells
50038881	13	ChEMBL_573946 (CHEMBL1059438)	Displacement of [3H]AMPA from rat recombinant GluR4 flop isoform expressed in baculovirus infected Sf9 cells
50038881	14	ChEMBL_573963 (CHEMBL1062124)	Agonist activity at ConA-treated rat GluR5(Q) RNA-edited isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal current by two-electrode voltage clamp method
50038881	15	ChEMBL_573962 (CHEMBL1062123)	Agonist activity at ConA-treated rat GluR1 flip isoform expressed in Xenopus laevis oocytes assessed as glutamic acid-induced maximal current by two-electrode voltage clamp method
50038881	16	ChEMBL_573964 (CHEMBL1062125)	Agonist activity at ConA-treated rat NR1/NR2A expressed in Xenopus laevis oocytes assessed as glycine-induced maximal current by two-electrode voltage clamp method
50038882	1	ChEMBL_573424 (CHEMBL1061319)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membrane
50038882	3	ChEMBL_573421 (CHEMBL1061316)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membrane
50038882	4	ChEMBL_573493 (CHEMBL1063046)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50038882	5	ChEMBL_573491 (CHEMBL1063044)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50038882	8	ChEMBL_573423 (CHEMBL1061318)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane
50000932	1	ChEMBL_1699473 (CHEMBL4050455)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain expressed in baculovirus by Z'-LYTE assay
50000932	2	ChEMBL_1699475 (CHEMBL4050457)	Inhibition of full-length recombinant human His-tagged BLK expressed in baculovirus by Z'-LYTE assay
50000932	3	ChEMBL_1699476 (CHEMBL4050458)	Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus by Z'-LYTE assay
50000932	4	ChEMBL_1699478 (CHEMBL4050460)	Inhibition of recombinant human IgG1 Fc-tagged ERBB2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus by Z'-LYTE assay
50000932	5	ChEMBL_1699479 (CHEMBL4050461)	Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus by Z'-LYTE assay
50000932	6	ChEMBL_1699480 (CHEMBL4050462)	Inhibition of full-length recombinant human His-tagged MEK1 expressed in baculovirus by Z'-LYTE assay
50000932	7	ChEMBL_1699483 (CHEMBL4050465)	Inhibition of wild-type EGFR (unknown origin) autophosphorylation at Y1068 expressed in mouse BAF3 cells after 4 hrs by Western blot analysis
50000932	8	ChEMBL_1699477 (CHEMBL4050459)	Inhibition of full-length recombinant human His-tagged BTK cytoplasmic domain expressed in baculovirus by Z'-LYTE assay
50000933	1	ChEMBL_1699581 (CHEMBL4050563)	Inhibition of Rac1 binding to biotinylated DOCK2 (unknown origin) by ELISA
50038884	1	ChEMBL_573737 (CHEMBL1062092)	Inhibition of STAT3 by Western blotting
50038885	1	ChEMBL_573443 (CHEMBL1061338)	Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition of beta-lactamase reporter activity treated 1 hr before TPA stimulation measured after 18 hrs by luciferase reporter gene assay
50038886	1	ChEMBL_576148 (CHEMBL1027137)	Inhibition of methionine aminopeptidase 2
50038886	2	ChEMBL_576147 (CHEMBL1027136)	Inhibition of methionine aminopeptidase 1
50038887	1	ChEMBL_578237 (CHEMBL1051552)	Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay
50038887	2	ChEMBL_578242 (CHEMBL1051557)	Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol
50038887	3	ChEMBL_578238 (CHEMBL1051553)	Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol
50038887	4	ChEMBL_578239 (CHEMBL1051554)	Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay
50038887	5	ChEMBL_578240 (CHEMBL1051555)	Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol
50000933	2	ChEMBL_1699597 (CHEMBL4050579)	Inhibition of GST-fused Rac1 (unknown origin) binding to recombinant N-terminal trigger factor/C-terminal SBP-tagged DOCK2 DHR-2 binding domain (unknown origin) expressed in mammalian cells assessed as reduction in Rac GEF activity pretreated for 1 hr followed by GST-fused Rac1 addition after 1 hr by ELISA
50000933	3	ChEMBL_1699598 (CHEMBL4050580)	Inhibition of Rac1 binding to DOCK2 (unknown origin) by ELISA
50000933	4	ChEMBL_1699579 (CHEMBL4050561)	Inhibition of DOCK2 (unknown origin) GEF activity
50000934	1	ChEMBL_1699600 (CHEMBL4050582)	Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of hypotonicity-induced activation pretreated for 5 mins followed by hypotonic solution addition measured for 5 mins by FLIPR assay
50038887	6	ChEMBL_578241 (CHEMBL1051556)	Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay
50038888	1	ChEMBL_578681 (CHEMBL1063062)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting
50038889	1	ChEMBL_580016 (CHEMBL1051704)	Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid
50038889	2	ChEMBL_580017 (CHEMBL1051705)	Inhibition of human mEH
50038889	3	ChEMBL_580018 (CHEMBL1051706)	Inhibition of CYP2C9
50038889	4	ChEMBL_580019 (CHEMBL1051707)	Inhibition of CYP2D6
50038889	5	ChEMBL_580020 (CHEMBL1051708)	Inhibition of CYP3A4
50038889	6	ChEMBL_580021 (CHEMBL1051709)	Inhibition of Cav 1.2 channel
50038889	7	ChEMBL_580013 (CHEMBL1051701)	Inhibition of IKr channel
50038889	8	ChEMBL_580022 (CHEMBL1053972)	Inhibition of Nav1.5 channel
50038889	9	ChEMBL_580014 (CHEMBL1051702)	Inhibition of human sEH
50038889	10	ChEMBL_580015 (CHEMBL1051703)	Inhibition of rat sEH
50038890	1	ChEMBL_580261 (CHEMBL1058804)	Inhibition of human recombinant p38alpha assessed as [gamma33P]ATP utilization by microplate scintillation counting
50038890	2	ChEMBL_580262 (CHEMBL1058805)	Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli
50038891	1	ChEMBL_579937 (CHEMBL1056370)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as NADPH consumption after 2 mins by spectrophotometry
50038891	2	ChEMBL_579939 (CHEMBL1056372)	Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay
50038891	3	ChEMBL_579935 (CHEMBL1056368)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioactive assay
50038891	4	ChEMBL_579933 (CHEMBL1056366)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioactive assay
50038891	5	ChEMBL_579931 (CHEMBL1056364)	Inhibition of rat recombinant nNOS expressed in Saccharomyces cerevisiae assessed as conversion of [gamma-14C]L-arginine to [14C]L-citrulline by radioactive assay
50000934	2	ChEMBL_1699601 (CHEMBL4050583)	Antagonist activity at recombinant rat TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins followed by 4alphaPDD stimulation measured for 5 mins by FLIPR assay
50000934	3	ChEMBL_1699612 (CHEMBL4050594)	Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activation
50038892	4	ChEMBL_577488 (CHEMBL1057071)	Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced contraction
50038893	1	ChEMBL_577753 (CHEMBL1053060)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50038893	2	ChEMBL_577754 (CHEMBL1053061)	Antagonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of corticoid-induced transcription after 16 hrs by glucocorticoid response element-driven luciferase reporter gene assay
50038894	1	ChEMBL_578446 (CHEMBL1060567)	Antagonist activity at 5HT3A receptor expressed in Xenopus oocyte
50038894	2	ChEMBL_578447 (CHEMBL1060568)	Antagonist activity against T-type calcium channel alpha1G
50000934	4	ChEMBL_1699599 (CHEMBL4050581)	Antagonist activity at recombinant human TRPV4 expressed in CHOK1 cells assessed as inhibition of 4alphaPDD-induced activation pretreated for 5 mins followed by 4alphaPDD stimulation measured for 5 mins by FLIPR assay
50038895	1	ChEMBL_579409 (CHEMBL1053164)	Inhibition of rat HMG-CoA reductase using 3.7 MBq DL-[3-14C]HMG-CoA
50038895	2	ChEMBL_579410 (CHEMBL1053165)	Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA
50038896	1	ChEMBL_579535 (CHEMBL1059682)	Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay
50038896	2	ChEMBL_579533 (CHEMBL1059680)	Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting
50038896	3	ChEMBL_579534 (CHEMBL1059681)	Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting
50038897	1	ChEMBL_581967 (CHEMBL1058947)	Binding affinity to muscarinic M2 receptor
50038897	2	ChEMBL_581962 (CHEMBL1058942)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation counting
50038897	3	ChEMBL_581961 (CHEMBL1058941)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation counting
50038897	4	ChEMBL_581960 (CHEMBL1058940)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting
50038897	5	ChEMBL_581966 (CHEMBL1058946)	Binding affinity to muscarinic M3 receptor
50038897	6	ChEMBL_581968 (CHEMBL1058948)	Binding affinity to muscarinic M1 receptor
50038898	1	ChEMBL_581974 (CHEMBL1058954)	Inhibition of IGF1R-mediated proliferation of mouse NIH/3T3 cells after 48 hrs by MTT assay
50038898	5	ChEMBL_581980 (CHEMBL1058960)	Inhibition of HER2
50038898	6	ChEMBL_581982 (CHEMBL1058962)	Inhibition of VEGFR2
50038898	8	ChEMBL_581984 (CHEMBL1058964)	Inhibition of c-KIT
50038898	9	ChEMBL_581993 (CHEMBL1055730)	Inhibition of HER1
50038898	10	ChEMBL_581989 (CHEMBL1058969)	Inhibition of IGF1R
50038898	11	ChEMBL_581990 (CHEMBL1058970)	Inhibition of insulin receptor
50038898	12	ChEMBL_581991 (CHEMBL1055728)	Inhibition of FAK
50038898	13	ChEMBL_581994 (CHEMBL1055731)	Inhibition of LCK
50038898	15	ChEMBL_582000 (CHEMBL1055737)	Inhibition for IGF1R-induced S6 ribosomal protein phosphorylation in growth factor-stimulated NHDF
50038898	16	ChEMBL_582002 (CHEMBL1055739)	Inhibition of human GST-tagged IGF1R by trans-phosphorylation assay
50038898	18	ChEMBL_582004 (CHEMBL1056477)	Inhibition of GST-tagged human IGF1R expressed in baculovirus-infected Sf21 cells by scintillation proximity assay
50038898	20	ChEMBL_582001 (CHEMBL1055738)	Inhibition of IGF1R in growth factor-stimulated NHDF
50038899	1	ChEMBL_580442 (CHEMBL1051756)	Inhibition of PTP1B by pNPP hydrolase assay
50038900	1	ChEMBL_580723 (CHEMBL1057246)	Inhibition of human DPP4 by fluorimetry
50038900	2	ChEMBL_580724 (CHEMBL1057247)	Inhibition of DPP4
50038900	3	ChEMBL_580728 (CHEMBL1057251)	Inhibition of human recombinant DPP7 expressed in baculovirus-infected Sf9 cells by fluorescence plate reader method
50038900	4	ChEMBL_580729 (CHEMBL1057252)	Inhibition of human recombinant DPP8
50038900	5	ChEMBL_580730 (CHEMBL1057253)	Inhibition of DPP9
50038901	1	ChEMBL_582224 (CHEMBL1059884)	Inhibition of diphenolase activity of mushroom tyrosinase
50038902	1	ChEMBL_582389 (CHEMBL1063426)	Agonist activity at human PPARgamma expressed in U2OS cells by luciferase transactivation assay
50038902	2	ChEMBL_582390 (CHEMBL1063427)	Inhibition of mouse liver microsome 11betaHSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay
50038902	3	ChEMBL_582393 (CHEMBL1063430)	Inhibition of mouse liver microsome 11betaHSD1 reductase activity expressed in HEK293 cells by scintillation proximity assay
50038902	4	ChEMBL_582483 (CHEMBL1058160)	Inhibition of human 11betaHSD1
50038903	1	ChEMBL_582484 (CHEMBL1058161)	Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells
50038903	2	ChEMBL_582488 (CHEMBL1058165)	Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells
50038903	3	ChEMBL_582492 (CHEMBL1060825)	Displacement of [3H]LY278584 from human 5HT3 receptor expressed in HEK293 cells
50038903	4	ChEMBL_582486 (CHEMBL1058163)	Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method
50038904	4	ChEMBL_580505 (CHEMBL1053219)	Displacement of [3H]p-Cl-DPDPE from rat delta opioid receptor expressed in rat C6 cells
50038904	6	ChEMBL_580498 (CHEMBL1052525)	Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells
50038904	5	ChEMBL_580497 (CHEMBL1052524)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50038905	1	ChEMBL_580941 (CHEMBL1054906)	Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme immunoassay
50038905	3	ChEMBL_580943 (CHEMBL1054908)	Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme immunoassay
50038905	4	ChEMBL_580944 (CHEMBL1054909)	Agonist activity at dog recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme immunoassay
50038906	1	ChEMBL_581402 (CHEMBL1053309)	Inhibition of recombinant GSK3-beta by ELISA
50038907	1	ChEMBL_582922 (CHEMBL1054205)	Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method
50038908	1	ChEMBL_583225 (CHEMBL1055024)	Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting
50038908	2	ChEMBL_583226 (CHEMBL1055025)	Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells by plate scintillation counting
50038908	3	ChEMBL_583227 (CHEMBL1055026)	Inhibition of [3H]hydroxytryptamine creatinine sulfate uptake at human SERT expressed in human JAR cells
50038908	4	ChEMBL_583229 (CHEMBL1055028)	Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells by scintillation counting
50038909	1	ChEMBL_582746 (CHEMBL1055758)	Inhibition of recombinant His6-tagged MCL1 (171-326) expressed in Escherichia coli BL21 (DE3) and Flu-Bak peptide interaction by fluorescence polarization assay
50038909	2	ChEMBL_582745 (CHEMBL1055757)	Inhibition of recombinant His6-tagged Bcl-XL expressed in Escherichia coli BL21 (DE3) and Flu-Bak peptide interaction by fluorescence polarization assay
50038910	1	ChEMBL_583577 (CHEMBL1059092)	Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swelling assay
50038911	1	ChEMBL_584472 (CHEMBL1059151)	Binding affinity to 5HT1A receptor in rat hippocampus
50038911	2	ChEMBL_584473 (CHEMBL1059152)	Binding affinity to 5HT2A receptor in rat cortex
50038911	3	ChEMBL_584474 (CHEMBL1059153)	Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells
50038912	1	ChEMBL_584481 (CHEMBL1059160)	Inhibition of human microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50038912	2	ChEMBL_584482 (CHEMBL1059161)	Inhibition of mouse microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50038912	3	ChEMBL_584483 (CHEMBL1059162)	Inhibition of human microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50038912	4	ChEMBL_584484 (CHEMBL1059163)	Inhibition of mouse microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay
50000935	1	ChEBML_1699614	Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method
50038913	1	ChEMBL_584597 (CHEMBL1059098)	Inhibition of Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay
50038914	1	ChEMBL_585069 (CHEMBL1054335)	Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum
50038914	2	ChEMBL_585071 (CHEMBL1054337)	Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum
50038914	3	ChEMBL_585074 (CHEMBL1054340)	Agonist activity at human niacin receptor expressed in CKO-K1 cells by [35S]GTPgammaS binding assay
50038915	1	ChEMBL_585129 (CHEMBL1060018)	Inhibition of human recombinant ACE by fluorimetry
50038915	2	ChEMBL_585130 (CHEMBL1060019)	Inhibition of pig kidney NEP by fluorimetry
50038915	3	ChEMBL_585131 (CHEMBL1060020)	Inhibition of human recombinant ECE1 by fluorimetry
50038916	2	ChEMBL_586302 (CHEMBL1060164)	Inhibitory constant against cAPK (PKA)
50038916	4	ChEMBL_587164 (CHEMBL1060228)	Inhibitory constant against MLCK
50038916	8	ChEMBL_586670 (CHEMBL1062031)	Inhibitory constant against CK2
50038916	9	ChEMBL_586710 (CHEMBL1062857)	Inhibitory constant against bovine CK2
50038917	1	ChEMBL_586616 (CHEMBL1061194)	Inhibition of CK1delta in the presence of 20uM ATP
50038917	2	ChEMBL_586614 (CHEMBL1061192)	Inhibition of B-Raf in the presence of 100uM ATP
50038917	3	ChEMBL_587111 (CHEMBL1051321)	Inhibition of Aurora C in the presence of 100uM ATP
50038917	6	ChEMBL_587228 (CHEMBL1061991)	Inhibition of CSK in the presence of 20uM ATP
50038917	7	ChEMBL_586736 (CHEMBL1062880)	Inhibition of DYRK1A in the presence of 50uM ATP
50038917	8	ChEMBL_587112 (CHEMBL1051322)	Inhibition of c-Raf in the presence of 100uM ATP
50038917	10	ChEMBL_586735 (CHEMBL1062879)	Inhibition of CDK2-cyclinA in the presence of 20uM ATP
50038917	12	ChEMBL_587227 (CHEMBL1061990)	Inhibition of BRSK2 in the presence of 50uM ATP
50038917	14	ChEMBL_587115 (CHEMBL1051325)	Inhibition of Lck in the presence of 50uM ATP
50038917	15	ChEMBL_587004 (CHEMBL1062793)	Inhibition of PIM2 in the presence of 5uM ATP
50000935	2	ChEBML_1699615	Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method
50038917	17	ChEMBL_586737 (CHEMBL1062881)	Inhibition of DYRK2 in the presence of 50uM ATP
50038917	18	ChEMBL_586866 (CHEMBL1051361)	Inhibition of p38-alpha MAPK in the presence of 50uM ATP
50038917	19	ChEMBL_586740 (CHEMBL1062884)	Inhibition of IKK-beta in the presence of 5uM ATP
50038917	20	ChEMBL_587116 (CHEMBL1051326)	Inhibition of p38-alpha MAPK in the presence of 100uM ATP
50038917	21	ChEMBL_587114 (CHEMBL1051324)	Inhibition of JNK1 in the presence of 20uM ATP
50038917	22	ChEMBL_586742 (CHEMBL1062886)	Inhibition of MNK2 in the presence of 50uM ATP
50038917	23	ChEMBL_587003 (CHEMBL1062792)	Inhibition of MNK1 in the presence of 50uM ATP
50038917	24	ChEMBL_587117 (CHEMBL1051327)	Inhibition of PAK4 in the presence of 5uM ATP
50038917	26	ChEMBL_586377 (CHEMBL1061942)	Inhibition of PIM1 in the presence of 20uM ATP
50038917	27	ChEMBL_586741 (CHEMBL1062885)	Inhibition of JNK2 in the presence of 20uM ATP
50038917	28	ChEMBL_586739 (CHEMBL1062883)	Inhibition of GSK3-beta in the presence of 20uM ATP
50038917	30	ChEMBL_586500 (CHEMBL1051268)	Inhibition of DYRK3 in the presence of 50uM ATP
50038917	31	ChEMBL_586738 (CHEMBL1062882)	Inhibition of Eph-A2 in the presence of 50uM ATP
50038917	32	ChEMBL_586501 (CHEMBL1051269)	Inhibition of DYRK3 in the presence of 5uM ATP
50038917	33	ChEMBL_586864 (CHEMBL1051359)	Inhibition of CK1delta in the presence of 100uM ATP
50038917	34	ChEMBL_587113 (CHEMBL1051323)	Inhibition of CAMKKalpha in the presence of 20uM ATP
50038917	36	ChEMBL_586865 (CHEMBL1051360)	Inhibition of MELK in the presence of 50uM ATP
50038917	37	ChEMBL_587118 (CHEMBL1051328)	Inhibition of PIM3 in the presence of 100uM ATP
50038917	38	ChEMBL_586743 (CHEMBL1062887)	Inhibition of PIM3 in the presence of 20uM ATP
50038917	39	ChEMBL_586617 (CHEMBL1061195)	Inhibition of PIM3 in the presence of 5uM ATP
50038917	40	ChEMBL_586378 (CHEMBL1061943)	Inhibition of PKA in the presence of 20uM ATP
50038917	41	ChEMBL_586502 (CHEMBL1051270)	Inhibition of PKD1 in the presence of 50uM ATP
50038917	42	ChEMBL_586744 (CHEMBL1062888)	Inhibition of PLK1 in the presence of 5uM ATP
50038917	43	ChEMBL_587119 (CHEMBL1051329)	Inhibition of RIP2 in the presence of 100uM ATP
50038917	44	ChEMBL_586745 (CHEMBL1062889)	Inhibition of S6K1 in the presence of 20uM ATP
50038917	45	ChEMBL_586379 (CHEMBL1061944)	Inhibition of SGK1 in the presence of 20uM ATP
50038917	46	ChEMBL_586380 (CHEMBL1061945)	Inhibition of SmMLCK in the presence of 50uM ATP
50038917	48	ChEMBL_586618 (CHEMBL1061196)	Inhibition of Yes in the presence of 20uM ATP
50000935	3	ChEMBL_1699614 (CHEMBL4050596)	Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method
50000935	4	ChEMBL_1699615 (CHEMBL4050597)	Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method
50000936	1	ChEMBL_1699638 (CHEMBL4050620)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring compound concentration required for reduction of ADR IC50 after 48 hrs by MTT assay
50000937	1	ChEMBL_1699743 (CHEMBL4050725)	Inhibition of human ERG
50000938	1	ChEMBL_1699789 (CHEMBL4050771)	Binding affinity to bovine serum albumin by tryptophan quenching based HTS assay
50000938	2	ChEMBL_1699787 (CHEMBL4050769)	Inhibition of human PIM3 using RSRHSSYPAGT as substrate in presence of [gamma-33P]-ATP
50000938	3	ChEMBL_1699786 (CHEMBL4050768)	Inhibition of GST-SMT3-tagged mouse ERO1alpha (23 to 464 residues) expressed in Escherichia coli rosetta (DE3) using reduced thioredoxin as substrate by Amplex red fluorescence assay
50000938	4	ChEMBL_1699802 (CHEMBL4050784)	Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP
50000938	5	ChEMBL_1699788 (CHEMBL4050770)	Activation of human DAPK1 using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP
50000939	1	ChEMBL_1699879 (CHEMBL4050861)	Inhibition of PI3K p110delta/p85alpha (unknown origin) using lipid substrate after 40 mins by kinase-glo luminescence assay
50000940	1	ChEMBL_1699987 (CHEMBL4050969)	Displacement of 3H-U69593 from human KOR expressed in HEK293 cells after 90 mins by micro beta scintillation counting analysis
50000940	2	ChEMBL_1699996 (CHEMBL4050978)	Agonist activity at KOR (unknown origin) expressed in HTLA cells assessed as beta-arrestin recruitment incubated overnight by Bright-Glo luminescence assay
50000940	3	ChEMBL_1699995 (CHEMBL4050977)	Antagonist activity at human KOR expressed in HEK293T cells coexpressing Gi assessed as Gi-mediated inhibition of cAMP production incubated for 15 mins followed by Gs activator isoproterenol addition measured after 15 mins by luciferase reporter gene assay
50000940	4	ChEMBL_1699992 (CHEMBL4050974)	Antagonist activity at KOR (unknown origin) expressed in HTLA cells assessed as inhibition of Sal A-induced beta-arrestin recruitment preincubated for overnight followed by Sal-A addition at 30 mins post compound treatment measured after 20 mins by Bright-Glo luminescence assay
50000942	1	ChEMBL_1700000 (CHEMBL4050982)	Inhibition of DGAT1 (unknown origin) by HTS assay
50000943	1	ChEMBL_1700055 (CHEMBL4051037)	Agonist activity at recombinant human alpha1A adrenergic receptor expressed in HEK293 cells assessed as intercellular Ca mobilization by Fura-2AM dye-based fluorescence assay
50000943	2	ChEMBL_1700053 (CHEMBL4051035)	Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins
50000943	3	ChEMBL_1700066 (CHEMBL4051048)	Agonist activity at recombinant human beta1 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins
50000943	4	ChEMBL_1700068 (CHEMBL4051050)	Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins
50000943	5	ChEMBL_1700083 (CHEMBL4051065)	Agonist activity at recombinant human alpha1D adrenergic receptor expressed in HEK293 cells after 6 hrs by NFAT-luciferase reporter gene assay
50000943	6	ChEMBL_1700082 (CHEMBL4051064)	Agonist activity at recombinant human alpha1B adrenergic receptor expressed in HEK293 cells after 6 hrs by NFAT-luciferase reporter gene assay
50000945	1	ChEMBL_1700084 (CHEMBL4051066)	Inhibition of MLN51-induced full-length human recombinant His6-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000945	2	ChEMBL_1700087 (CHEMBL4051069)	Inhibition of eIF4G-induced full-length human recombinant His6-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50000945	3	ChEMBL_1700088 (CHEMBL4051070)	Inhibition of eIF4G-induced human recombinant His6-tagged eIF4A2 RNA dependent ATPase activity using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50000945	4	ChEMBL_1700091 (CHEMBL4051073)	Binding affinity to full-length human recombinant His6-tagged eIF4A3 expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay
50000945	5	ChEMBL_1700090 (CHEMBL4051072)	Inhibition of human recombinant full-length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000945	6	ChEMBL_1700089 (CHEMBL4051071)	Inhibition of human recombinant full-length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50000946	1	ChEMBL_1700129 (CHEMBL4051111)	Inhibition of BRD4 in human NCI-H1299 cells after 24 hrs by Bright-Glo luciferase reporter gene assay
50000946	2	ChEMBL_1700128 (CHEMBL4051110)	Inhibition of human N-terminal His6-tagged BRD4 BD1-BD2 (57 to 550 residues) expressed in EScherichia coli BL21(DE3) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay
50000947	1	ChEMBL_1700184 (CHEMBL4051166)	Antagonist activity at rat glucocorticoid receptor in primary hepatocytes assessed as dexamethasone-induced tyrosine amino transferase activity preincubated for 30 mins followed by dexamethasone addition measured after 20 hrs
50000947	2	ChEMBL_1700188 (CHEMBL4051170)	Agonist activity at rat glucocorticoid receptor in primary hepatocytes assessed as induction of tyrosine amino transferase activity measured after 20 hrs
50000947	3	ChEMBL_1700189 (CHEMBL4051171)	Agonist activity at dog glucocorticoid receptor in primary hepatocytes assessed as induction of tyrosine amino transferase activity measured after 20 hrs
50000947	4	ChEMBL_1700218 (CHEMBL4051200)	Antagonist activity at glucocorticoid receptor in human primary hepatocytes assessed as inhibition of dexamethasone-induced tyrosine amino transferase activity preincubated for 30 mins followed by dexamethasone addition measured after 20 hrs
50000947	5	ChEMBL_1700169 (CHEMBL4051151)	Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay
50000947	6	ChEMBL_1700170 (CHEMBL4051152)	Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of dexamethasone-induced tyrosine amino transferase activity preincubated for 30 mins followed by dexamethasone addition measured after 20 hrs
50000947	7	ChEMBL_1700202 (CHEMBL4051184)	Inhibition of CYP2C19 (unknown origin)
50000947	8	ChEMBL_1700203 (CHEMBL4051185)	Inhibition of CYP2D6 (unknown origin)
50000947	9	ChEMBL_1700200 (CHEMBL4051182)	Inhibition of CYP2C8 (unknown origin)
50000947	10	ChEMBL_1700201 (CHEMBL4051183)	Inhibition of CYP2C9 (unknown origin)
50000947	11	ChEMBL_1700204 (CHEMBL4051186)	Inhibition of CYP3A4 (unknown origin)
50000947	12	ChEMBL_1700205 (CHEMBL4051187)	Inhibition of CYP3A5 (unknown origin)
50000947	13	ChEMBL_1700198 (CHEMBL4051180)	Inhibition of CYP1A2 (unknown origin)
50000947	14	ChEMBL_1700199 (CHEMBL4051181)	Inhibition of CYP2B6 (unknown origin)
50000947	15	ChEMBL_1700185 (CHEMBL4051167)	Antagonist activity at dog glucocorticoid receptor in primary hepatocytes assessed as dexamethasone-induced tyrosine amino transferase activity preincubated for 30 mins followed by dexamethasone addition measured after 20 hrs
50000948	1	ChEMBL_1700219 (CHEMBL4051201)	Displacement of 125I-[Tyr3]-NT from human NTS1 receptor expressed in CHOK1 cell membranes after 30 mins by gamma counting analysis
50000948	2	ChEMBL_1700227 (CHEMBL4051209)	Displacement of 125I-[Tyr3]-NT from human NTS2 receptor
50000948	3	ChEMBL_1700220 (CHEMBL4051202)	Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 cell membranes after 30 mins by gamma counting analysis
50000948	4	ChEMBL_1700223 (CHEMBL4051205)	Displacement of 125I-[Tyr3]-NT from human NTS1 receptor
50000949	1	ChEMBL_1700234 (CHEMBL4051216)	Inhibition of HDAC 4 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis
50000949	2	ChEMBL_1700235 (CHEMBL4051217)	Inhibition of HDAC 5 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis
50000949	3	ChEMBL_1700236 (CHEMBL4051218)	Inhibition of HDAC 9 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis
50000949	4	ChEMBL_1700237 (CHEMBL4051219)	Inhibition of HDAC 10 in human HeLa nuclear extract measured after 60 mins by fluorometric analysis
50000949	5	ChEMBL_1700238 (CHEMBL4051220)	Inhibition of HDAC 11 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis
50000949	6	ChEMBL_1700230 (CHEMBL4051212)	Inhibition of HDAC 1 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis
50000949	7	ChEMBL_1700231 (CHEMBL4051213)	Inhibition of HDAC 2 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis
50000949	8	ChEMBL_1700232 (CHEMBL4051214)	Inhibition of HDAC 3 in human HeLa nuclear extract using HDAC substrate-3 measured after 60 mins by fluorometric analysis
50000949	9	ChEMBL_1700233 (CHEMBL4051215)	Inhibition of HDAC 8 in human HeLa nuclear extract using fluorogenic HDAC class 2A substrate measured after 60 mins by fluorometric analysis
50000950	1	ChEMBL_1700318 (CHEMBL4051300)	Displacement of [3H]ZM241385/[125I]IABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 3 hrs
50000950	2	ChEMBL_1700311 (CHEMBL4051293)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human Hela cell membranes after 180 mins
50000950	3	ChEMBL_1700310 (CHEMBL4051292)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes after 30 mins
50000950	4	ChEMBL_1700309 (CHEMBL4051291)	Displacement of [3H]4-(2-[7-amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expressed in human Hela cell membranes after 30 mins
50000950	5	ChEMBL_1700308 (CHEMBL4051290)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins
50000950	6	ChEMBL_1700317 (CHEMBL4051299)	Displacement of [3H]ZM241385 from human recombinant adenosine A2B receptor
50000950	7	ChEMBL_1700319 (CHEMBL4051301)	Displacement of [3H]OSIP339391 from human recombinant adenosine A2B receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50000951	1	ChEMBL_1700320 (CHEMBL4051302)	Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay
50000951	2	ChEMBL_1700322 (CHEMBL4051304)	Agonist activity at mouse GPR40 expressed in HEK293 cells assessed as increase in intracellular calcium level after 5 mins by FLUO-4-AM dye-based FLIPR assay
50000951	3	ChEMBL_1700348 (CHEMBL4051330)	Inhibition of phosphodiesterase 4D (unknown origin)
50000951	4	ChEMBL_1700349 (CHEMBL4051331)	Agonist activity at mouse GPR120 expressed in CHO-FlpIn cells after 15 mins by DMR assay
50000951	5	ChEMBL_1700347 (CHEMBL4051329)	Inhibition of Adenosine A2A receptor (unknown origin)
50000952	1	ChEMBL_1700353 (CHEMBL4051335)	Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 30 mins in presence of forskolin by luminescence-based HitHunter cAMP assay
50000953	1	ChEMBL_1700374 (CHEMBL4051356)	Inhibition of ERK2 (unknown origin) in the presence of 60 uM ATP
50000953	2	ChEMBL_1700375 (CHEMBL4051357)	Inhibition of ERK2 (unknown origin) in the presence of 1 mM ATP
50000953	3	ChEMBL_1700381 (CHEMBL4051363)	Inhibition of MEK1 (unknown origin)
50000953	4	ChEMBL_1700376 (CHEMBL4051358)	Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated ERK2 levels
50000953	5	ChEMBL_1700377 (CHEMBL4051359)	Inhibition of ERK2 in human A375 cells harboring BRAF V600E mutant assessed as decrease in phosphorylated RSK levels
50000954	1	ChEMBL_1700423 (CHEMBL4051405)	Ratio of binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as dissociation rate constant to binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as association rate constant
50000954	2	ChEMBL_1700425 (CHEMBL4051407)	Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells assessed as ratio of dissociation rate constant to association rate constant after 2 hrs by liquid scintillation counting assay
50000954	3	ChEMBL_1700434 (CHEMBL4051416)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 2 nM after 2 hrs by liquid scintillation counting assay
50000954	4	ChEMBL_1700435 (CHEMBL4051417)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 4 nM after 2 hrs by liquid scintillation counting assay
50000954	5	ChEMBL_1700436 (CHEMBL4051418)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 8 nM after 2 hrs by liquid scintillation counting assay
50000954	6	ChEMBL_1700438 (CHEMBL4051420)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 30 nM after 2 hrs by liquid scintillation counting assay
50000954	7	ChEMBL_1700439 (CHEMBL4051421)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenates assessed as W84 pIC50 at 0.4 nM after 2 hrs by liquid scintillation counting assay
50000954	8	ChEMBL_1700440 (CHEMBL4051422)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenates assessed as W84 pIC50 at 1 nM after 2 hrs by liquid scintillation counting assay
50000954	9	ChEMBL_1700442 (CHEMBL4051424)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenates assessed as W84 pIC50 at 4 nM after 2 hrs by liquid scintillation counting assay
50000954	10	ChEMBL_1700443 (CHEMBL4051425)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 0.2 nM after 2 hrs by liquid scintillation counting assay
50000954	11	ChEMBL_1700444 (CHEMBL4051426)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 0.1 nM after 2 hrs by liquid scintillation counting assay
50000954	12	ChEMBL_1700445 (CHEMBL4051427)	Displacement of [3H]Dimethyl-W84 from human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs
50000954	13	ChEMBL_1700413 (CHEMBL4051395)	Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 2 hrs by liquid scintillation counting assay
50000954	14	ChEMBL_1700424 (CHEMBL4051406)	Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate assessed as ratio of dissociation rate constant to association rate constant after 2 hrs by liquid scintillation counting assay
50000954	15	ChEMBL_1700415 (CHEMBL4051397)	Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	16	ChEMBL_1700414 (CHEMBL4051396)	Binding affinity to human muscarinic acetylcholine receptor M4 expressed in CHOK9 cells after 2 hrs by liquid scintillation counting assay
50000954	17	ChEMBL_1700412 (CHEMBL4051394)	Binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell suspension after 2 hrs by liquid scintillation counting assay
50000954	18	ChEMBL_1700411 (CHEMBL4051393)	Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells after 2 hrs by liquid scintillation counting assay
50000954	19	ChEMBL_1700401 (CHEMBL4051383)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M1 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	20	ChEMBL_1700402 (CHEMBL4051384)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	21	ChEMBL_1700446 (CHEMBL4051428)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs
50000954	22	ChEMBL_1700403 (CHEMBL4051385)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M3 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	23	ChEMBL_1700416 (CHEMBL4051398)	Displacement of [3H]UR-AP060 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenate after 3 hrs by liquid scintillation counting assay
50000954	24	ChEMBL_1700404 (CHEMBL4051386)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M4 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	25	ChEMBL_1700405 (CHEMBL4051387)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M5 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay
50000954	26	ChEMBL_1700406 (CHEMBL4051388)	Competitive antagonist activity at human muscarinic acetylcholine receptor M2 expressed in HEK293 cells coexpressing HA tagged Galpha-protein qi5 assessed as inhibition of 0.1 uM carbachol-induced IP1 accumulation preincubated for 30 mins followed by carbachol addition measured after 1 hr by HTRF assay
50000954	27	ChEMBL_1700407 (CHEMBL4051389)	Competitive antagonist activity at human muscarinic acetylcholine receptor M2 expressed in HEK293 cells coexpressing HA tagged Galpha-protein qi5 assessed as inhibition of 1 uM carbachol-induced IP1 accumulation preincubated for 30 mins followed by carbachol addition measured after 1 hr by HTRF assay
50000954	28	ChEMBL_1700408 (CHEMBL4051390)	Competitive antagonist activity at human muscarinic acetylcholine receptor M2 expressed in HEK293 cells coexpressing HA tagged Galpha-protein qi5 assessed as inhibition of 10 uM carbachol-induced IP1 accumulation preincubated for 30 mins followed by carbachol addition measured after 1 hr by HTRF assay
50000954	29	ChEMBL_1700418 (CHEMBL4051400)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2
50000954	30	ChEMBL_1700417 (CHEMBL4051399)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK1 cells
50000954	31	ChEMBL_1700437 (CHEMBL4051419)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 15 nM after 2 hrs by liquid scintillation counting assay
50000954	32	ChEMBL_1700441 (CHEMBL4051423)	Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cell homogenates assessed as W84 pIC50 at 2 nM after 2 hrs by liquid scintillation counting assay
50000954	33	ChEMBL_1700419 (CHEMBL4051401)	Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHO cells after 60 mins by scintillation counting assay
50000955	3	ChEMBL_1700449 (CHEMBL4051431)	Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured after 1 hr by RapidFire high-throughput mass spectrometric analysis
50000955	1	ChEBML_1700450	Inhibition of full length human KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis
50000955	7	ChEMBL_1700450 (CHEMBL4051432)	Inhibition of full length human KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis
50000955	5	ChEMBL_1700468 (CHEMBL4051450)	Inhibition of rat KMO expressed in HEK293 cells using kynurenine as substrate measured after 20 hrs by LC-MS/MS analysis
50000955	6	ChEMBL_1700498 (CHEMBL4051480)	Inhibition of Pseudomonas fluorescens KMO expressed in Escherichia coli using kynurenine as substrate measured after 1 hr by RapidFire high-throughput mass spectrometric analysis
50000955	2	ChEMBL_1700451 (CHEMBL4051433)	Inhibition of KMO in human primary hepatocytes using kynurenine as substrate measured after overnight incubation by LC-MS/MS analysis
50000955	4	ChEMBL_1700501 (CHEMBL4051483)	Competitive inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured after 1 hr by RapidFire high-throughput mass spectrometric analysis
50000956	1	ChEMBL_1700537 (CHEMBL4051519)	Antagonist activity at human A2A receptor by cAMP assay
50000956	2	ChEMBL_1700542 (CHEMBL4051524)	Inhibition of 15-PGDH (unknown origin) using PGE2 as substrate in presence of beta-NAD by spectrophotometric assay
50000956	3	ChEMBL_1700506 (CHEMBL4051488)	Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NAD(+) by fluorescence assay
50000956	4	ChEMBL_1700527 (CHEMBL4051509)	Inhibition of CYP2B6 (unknown origin)
50000956	5	ChEMBL_1700529 (CHEMBL4051511)	Inhibition of CYP2C9 (unknown origin)
50000956	6	ChEMBL_1700530 (CHEMBL4051512)	Inhibition of CYP2C19 (unknown origin)
50000956	7	ChEMBL_1700531 (CHEMBL4051513)	Inhibition of CYP2D6 (unknown origin)
50000956	8	ChEMBL_1700543 (CHEMBL4051525)	Inhibition of 15-PGDH (unknown origin) using PGE2 as substrate preincubated for 12 hrs followed by dialysis for 12 hrs and subsequent addition of NAD+ measured after 12 hrs
50000956	9	ChEMBL_1700528 (CHEMBL4051510)	Inhibition of CYP2C8 (unknown origin)
50000957	1	ChEMBL_1998145 (CHEMBL4650002)	Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay
50000957	2	ChEMBL_1998146 (CHEMBL4650003)	Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assay
50000957	3	ChEMBL_1998154 (CHEMBL4650011)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50000957	4	ChEMBL_1998155 (CHEMBL4650012)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50011225	1	ChEMBL_1998162 (CHEMBL4650019)	Alphascreen assay. Binding to PB1A (domain start/stop: S613-D734) by alphascreen assay
50011225	2	ChEMBL_1998163 (CHEMBL4650020)	Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay
50011225	3	ChEMBL_1998164 (CHEMBL4650021)	Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay
50011225	4	ChEMBL_1998165 (CHEMBL4650022)	Alphascreen assay. Binding to SMARCA4A (domain start/stop: L1451-E1580) by alphascreen assay
50011225	5	ChEMBL_1998347 (CHEMBL4650204)	Reverse ITC (compound as receptor). Domain start/stop: S613-D734
50011225	6	ChEMBL_1998349 (CHEMBL4650206)	Reverse ITC (compound as receptor). Domain start/stop: L1451-E1580
50011226	1	ChEMBL_1998148 (CHEMBL4650005)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011226	2	ChEMBL_1998149 (CHEMBL4650006)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011226	3	ChEMBL_1998160 (CHEMBL4650017)	Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay
50011226	4	ChEMBL_1998161 (CHEMBL4650018)	Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay
50011226	5	ChEMBL_1998354 (CHEMBL4650211)	Reverse ITC (compound as receptor). Domain start/stop: A1040-S1171
50011227	1	ChEMBL_1998148 (CHEMBL4650005)	Alphascreen assay. Binding to BRD4A (domain start/stop: N44-E168) by alphascreen assay
50011227	2	ChEMBL_1998160 (CHEMBL4650017)	Alphascreen assay. Binding to CREBBPA (domain start/stop: R1081-G1197) by alphascreen assay
50011228	1	ChEMBL_1998154 (CHEMBL4650011)	Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assay
50011228	2	ChEMBL_1998158 (CHEMBL4650015)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-D543) by alphascreen assay
50011228	3	ChEMBL_1998159 (CHEMBL4650016)	Alphascreen assay. Binding to CECR2A (domain start/stop: P420-H538) by alphascreen assay
50011228	4	ChEMBL_1998144 (CHEMBL4650001)	Alphascreen assay. Binding to FALZA (domain start/stop: S2791-H2911) by alphascreen assay
50011249	2	ChEMBL_2013170 (CHEMBL4666748)	Agonist activity at human Gal4-DBD fused PPARgamma LBD (unknown origin) expressed in COS-7 cells incubated for 24 hrs by firefly luciferase assay
50011251	1	ChEMBL_2013206 (CHEMBL4666784)	Competitive binding affinity to human partial length BRD4 (BD1,2) (N44 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50011251	2	ChEMBL_2013230 (CHEMBL4666808)	Inhibition of human ERG by manual patch clamp assay
50011251	3	ChEMBL_2013268 (CHEMBL4666846)	Inhibition of human full-length recombinant N-terminal His-tagged BRD4 (2 to 1362 residues) expressed in Sf9 cells using histone H4 peptide containing acetylated lysine residues as substrate preincubated with enzyme for 30 mins followed by incubation with substrate for 30 mins by Alphascreen assay based TR-FRET analysis
50011251	4	ChEMBL_2013269 (CHEMBL4666847)	Binding affinity to human partial length BRD2 (BD1) (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50011251	5	ChEMBL_2013270 (CHEMBL4666848)	Binding affinity to human partial length BRD2 (BD1,2) (K71 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50011251	6	ChEMBL_2013271 (CHEMBL4666849)	Binding affinity to human partial length BRD2 (BD2) (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50011251	7	ChEMBL_2013272 (CHEMBL4666850)	Binding affinity to human partial length BRD3 (BD1) (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50011251	8	ChEMBL_2013273 (CHEMBL4666851)	Binding affinity to human partial length BRD3 (BD1,2) (P24 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50011251	9	ChEMBL_2013274 (CHEMBL4666852)	Binding affinity to human partial length BRD3 (BD2) (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50011251	10	ChEMBL_2013275 (CHEMBL4666853)	Binding affinity to human partial length BRD4 (BD1) (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50011251	11	ChEMBL_2013276 (CHEMBL4666854)	Binding affinity to human partial length BRD4 (BD2) (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50011251	12	ChEMBL_2013277 (CHEMBL4666855)	Binding affinity to human partial length BRDT (BD1) (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50011251	13	ChEMBL_2013278 (CHEMBL4666856)	Binding affinity to human partial length BRDT (BD2) (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50011251	14	ChEMBL_2013279 (CHEMBL4666857)	Binding affinity to human partial length BRDT (BD1,2) (N21 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50011254	1	ChEMBL_2013282 (CHEMBL4666860)	Inhibition of human CRAF using MEK1 as substrate by [gamma-33P]-ATP assay
50011254	2	ChEMBL_2013283 (CHEMBL4666861)	Inhibition of human BRAF V600E mutant using MEK1 as substrate by [gamma-34P]-ATP assay
50011254	3	ChEMBL_2013284 (CHEMBL4666862)	Inhibition of human BRAF using MEK1 as substrate by [gamma-34P]-ATP assay
50011255	1	ChEMBL_2013347 (CHEMBL4666925)	Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using Tyr 06 as substrate incubated for 60 mins by Z'-lyte assay
50011255	2	ChEMBL_2013351 (CHEMBL4666929)	Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic mobility shift assay
50000958	1	ChEMBL_1700687 (CHEMBL4051669)	Inhibition of human DNA topoisomerase 2-alpha
50000958	2	ChEMBL_1700660 (CHEMBL4051642)	Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3) using relaxed pBR322 DNA as substrate after 1 hr by agarose gel electrophoresis
50000959	1	ChEMBL_1700805 (CHEMBL4051787)	Inhibition of human ERG assessed as reduction of K+ current
50000961	1	ChEMBL_1700820 (CHEMBL4051802)	Inhibition of human placental microsomal STS assessed as formation of E1 preincubated for 30 mins followed by addition of E1S as substrate measured after 20 mins by ELISA
50000961	2	ChEMBL_1700822 (CHEMBL4051804)	Inhibition of human placental cytosolic 17beta-HSD2 using [3H]-E2/E2 substrate and NAD+ after 20 mins by HPLC based radio-detection method
50000961	3	ChEMBL_1700827 (CHEMBL4051809)	Inhibition of 17beta-HSD1 in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1/E1 as substrate measured after 30 mins by HPLC based radio-detection method
50000961	4	ChEMBL_1700821 (CHEMBL4051803)	Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1/E1 substrate and NADH after 10 mins by HPLC based radio-detection method
50000961	5	ChEMBL_1700825 (CHEMBL4051807)	Inhibition of STS in human T47D cells preincubated for 1 hr followed by addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based radio-detection method
50000961	6	ChEMBL_1700828 (CHEMBL4051810)	Irreversible inhibition of STS in human T47D cells preincubated for 2 hrs followed by compound washout and addition of [3H]-E1S/E1S as substrate measured after 24 hrs by HPLC based radio-detection method
50000962	1	ChEMBL_1700849 (CHEMBL4051831)	Inhibition of recombinant human SPHK1 using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting
50000962	2	ChEMBL_1700850 (CHEMBL4051832)	Inhibition of recombinant human SPHK2 at using sphingosine as substrate after 30 mins in presence of gamma-[32P]-ATP by liquid scintillation counting
50000962	3	ChEMBL_1700859 (CHEMBL4051841)	Inhibition of recombinant mouse SPHK1 using sphingosine as substrate in presence ATP
50000962	4	ChEMBL_1700860 (CHEMBL4051842)	Inhibition of recombinant mouse SPHK2 using sphingosine as substrate in presence ATP
50000962	5	ChEMBL_1700861 (CHEMBL4051843)	Inhibition of recombinant human C-terminal His-tagged SPHK1 expressed in fall armyworm sf21 cells using sphingosine as substrate after 1 hr by FITC-based caliper assay
50000962	6	ChEMBL_1700863 (CHEMBL4051845)	Inhibition of recombinant human SPHK1 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by scintillation counting
50000962	7	ChEMBL_1700864 (CHEMBL4051846)	Inhibition of recombinant human SPHK2 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by scintillation counting
50000962	8	ChEMBL_1700865 (CHEMBL4051847)	Inhibition of recombinant human SPHK1 using sphingosine as substrate in presence ATP
50000962	9	ChEMBL_1700862 (CHEMBL4051844)	Inhibition of recombinant human SPHK1 using sphingosine as substrate by ADP-Quest assay
50000962	10	ChEMBL_1700866 (CHEMBL4051848)	Inhibition of recombinant human SPHK2 using sphingosine as substrate by ADP-Quest assay
50000963	6	ChEMBL_1700873 (CHEMBL4051855)	Inhibition of full length recombinant human N-terminal His-tagged PI3K p110alpha/p85alpha expressed in baculovirus using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	1	ChEBML_1700873	Inhibition of full length recombinant human N-terminal His-tagged PI3K p110alpha/p85alpha expressed in baculovirus using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	7	ChEMBL_1700874 (CHEMBL4051856)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end residues) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ULight-4E-BP1 phosphorylation after 30 mins by lance ultra assay
50000963	8	ChEMBL_1700876 (CHEMBL4051858)	Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	2	ChEBML_1700874	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end residues) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ULight-4E-BP1 phosphorylation after 30 mins by lance ultra assay
50000963	3	ChEBML_1700872	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	4	ChEBML_1700875	Inhibition of recombinant human His-tagged PI3K p110gamma expressed in baculovirus using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	5	ChEBML_1700876	Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000963	9	ChEMBL_1700872 (CHEMBL4051854)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate after 1 hr by kinase-glo luminescence assay
50000964	1	ChEMBL_1700921 (CHEMBL4051903)	Inhibition of human ERG by manual patch clamp assay
50000964	2	ChEMBL_1700961 (CHEMBL4051943)	Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysis
50000964	3	ChEMBL_1700905 (CHEMBL4051887)	Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric analysis
50000964	4	ChEMBL_1700908 (CHEMBL4051890)	Inhibition of ATX in mouse plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis
50000964	5	ChEMBL_1700906 (CHEMBL4051888)	Inhibition of human ERG by automated patch clamp assay
50000964	6	ChEMBL_1700909 (CHEMBL4051891)	Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis
50000964	7	ChEMBL_1700910 (CHEMBL4051892)	Inhibition of ATX in human plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysis
50000965	1	ChEMBL_1700966 (CHEMBL4051948)	Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay
50000965	2	ChEMBL_1700964 (CHEMBL4051946)	Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay
50000966	1	ChEMBL_1701013 (CHEMBL4051995)	Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 after 2 mins at -20 mV holding potential by two-electrode voltage clamp assay
50000967	1	ChEMBL_1701064 (CHEMBL4052046)	Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arginine as substrate measured for 5 mins in presence of calmodulin/10 uM H4B by hemoglobin capture assay
50000967	2	ChEMBL_1701063 (CHEMBL4052045)	Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measured for 5 mins in presence of calmodulin/10 uM H4B by hemoglobin capture assay
50000967	3	ChEMBL_1701065 (CHEMBL4052047)	Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measured for 5 mins in presence of 10 uM H4B by hemoglobin capture assay
50000967	4	ChEMBL_1701069 (CHEMBL4052051)	Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arginine as substrate measured for 5 mins in presence of calmodulin/50 uM H4B by hemoglobin capture assay
50000967	5	ChEMBL_1701066 (CHEMBL4052048)	Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arginine as substrate measured for 5 mins in presence of calmodulin/10 uM H4B by hemoglobin capture assay
50000968	1	ChEMBL_1701088 (CHEMBL4052070)	Inhibition of CYP3A4 (unknown origin)
50000968	2	ChEMBL_1701089 (CHEMBL4052071)	Inhibition of CYP2D6 (unknown origin)
50000968	3	ChEMBL_1701090 (CHEMBL4052072)	Inhibition of CYP2C9 (unknown origin)
50000969	1	ChEMBL_1701139 (CHEMBL4052121)	Inhibition of PIM3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift assay
50000969	2	ChEMBL_1701137 (CHEMBL4052119)	Inhibition of PIM1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift assay
50000969	3	ChEMBL_1701138 (CHEMBL4052120)	Inhibition of PIM2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift assay
50000970	1	ChEMBL_1701167 (CHEMBL4052149)	Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting
50000970	2	ChEMBL_1701164 (CHEMBL4052146)	Agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 10 mins in presence of [alpha-32P]ATP
50000970	3	ChEMBL_1701169 (CHEMBL4052151)	Agonist activity at recombinant human adenosine A2A receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity by [alpha-32P]ATP assay
50000970	4	ChEMBL_1701162 (CHEMBL4052144)	Displacement of [3H]NECA from recombinant rat adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting
50000970	5	ChEMBL_1701165 (CHEMBL4052147)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting
50000970	6	ChEMBL_1701166 (CHEMBL4052148)	Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting
50000970	7	ChEMBL_1701170 (CHEMBL4052152)	Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity by [alpha-32P]ATP assay
50000970	8	ChEMBL_1701172 (CHEMBL4052154)	Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of adenylyl cyclase activity after 10 mins by [alpha-32P]ATP assay
50000971	1	ChEMBL_1701187 (CHEMBL4052169)	Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50000971	2	ChEMBL_1701188 (CHEMBL4052170)	Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50000971	3	ChEMBL_1701195 (CHEMBL4052177)	Agonist activity at mouse GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50000971	4	ChEMBL_1701196 (CHEMBL4052178)	Agonist activity at mouse glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50000971	5	ChEMBL_1701201 (CHEMBL4052183)	Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 5 hrs by luciferase reporter gene assay
50000971	6	ChEMBL_1701202 (CHEMBL4052184)	Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 5 hrs by luciferase reporter gene assay
50000972	1	ChEMBL_1701210 (CHEMBL4052192)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay
50000972	2	ChEMBL_1701207 (CHEMBL4052189)	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay
50000972	3	ChEMBL_1701214 (CHEMBL4052196)	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay
50000972	4	ChEMBL_1701228 (CHEMBL4052210)	Antagonist activity at human MC4R expressed in CHO cells assessed as inhibition of aplha MSH-induced cAMP activation after 45 mins
50000972	5	ChEMBL_1701231 (CHEMBL4052213)	Agonist activity at mouse MC3R
50000972	6	ChEMBL_1701232 (CHEMBL4052214)	Agonist activity at mouse MC4R
50000972	7	ChEMBL_1701224 (CHEMBL4052206)	Displacement of [125I]-NDP-MSH from mouse MC3R expressed in HEK293 cells after 1 hr by gamma counting
50000972	8	ChEMBL_1701206 (CHEMBL4052188)	Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting
50000972	9	ChEMBL_1701213 (CHEMBL4052195)	Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as inhibition of NDP-MSH induced-cAMP accumulation after 2 hrs by alpha screen assay
50000972	10	ChEMBL_1701217 (CHEMBL4052199)	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay
50000973	1	ChEMBL_1701329 (CHEMBL4052311)	Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 6beta-hydroxytestosterone from testosterone after 10 mins by LC-MS/MS analysis
50000973	2	ChEMBL_1701313 (CHEMBL4052295)	Inhibition of human ERG expressed in CHOK1 cells by patch clamp method
50000974	1	ChEMBL_1701331 (CHEMBL4052313)	Binding affinity to captured wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50000974	2	ChEMBL_1701333 (CHEMBL4052315)	Binding affinity to coupled wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50000974	3	ChEMBL_1701334 (CHEMBL4052316)	Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) using 1 % DMSO by SPR analysis
50000974	4	ChEMBL_1701336 (CHEMBL4052318)	Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) using 5 % DMSO by SPR analysis
50000974	5	ChEMBL_1701342 (CHEMBL4052324)	Inhibition of VP16 activation domain-fused human BCOR (112 to 753 amino acid residues) binding to GAL4 DNA binding domain-fused wild-type human BCL6 (5 to 129 amino acid residues) expressed in HEK293T cell lysates after 20 hrs by firefly luciferase assay
50000974	6	ChEMBL_1701343 (CHEMBL4052325)	Inhibition of biotinylated C-terminal BCOR (unknown origin) binding to wild-type BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) by ELISA
50000974	7	ChEMBL_1701344 (CHEMBL4052326)	Binding affinity to recombinant RED-NHS labeled BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 10 mins by microscale thermophoresis method
50000974	8	ChEMBL_1701345 (CHEMBL4052327)	Binding affinity to 6His-tagged human BCL6 BTB domain (7 to 128 amino acid residues) expressed in Escherichia coli Rosetta (DE3) after 1 min by fluorescence polarization assay
50000974	9	ChEMBL_1701346 (CHEMBL4052328)	Inhibition of BCOR binding to recombinant biotinylated SUMO-tagged BCL6 BTB domain (5 to 129 amino acid residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50000974	10	ChEMBL_1701335 (CHEMBL4052317)	Binding affinity to wild-type human biotinylated Avi-tagged BCL6 BTB domain (5 to 129 amino acid residues) expressed in Escherichia coli BL21 (DE3) using 3 % DMSO by SPR analysis
50000976	3	ChEMBL_1701350 (CHEMBL4052332)	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition in presence of 0.1% BSA measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	14	ChEMBL_1701352 (CHEMBL4052334)	Inhibition of recombinant human LOXL2 expressed in human whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	1	ChEMBL_1701347 (CHEMBL4052329)	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	2	ChEBML_1701355	Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	15	ChEMBL_1701351 (CHEMBL4052333)	Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition in presence of 0.1% BSA measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	10	ChEBML_1701363	Inhibition of recombinant mouse LOXL2 expressed in mouse whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	4	ChEBML_1701351	Inhibition of human LOX expressed in HEK cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition in presence of 0.1% BSA measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	5	ChEBML_1701348	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 15 mins followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	12	ChEBML_1701373	Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC-MS/MS analysis
50000976	7	ChEBML_1701371	Inhibition of CYP2C9 human liver microsomes after 10 mins by LC-MS/MS analysis
50000976	9	ChEBML_1701368	Inhibition of rat LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	13	ChEMBL_1701348 (CHEMBL4052330)	Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 15 mins followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	19	ChEMBL_1701355 (CHEMBL4052337)	Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by substrate addition measured every 2 mins for 1 hr by amplex red reagent-based fluorescence assay
50000976	18	ChEMBL_1701374 (CHEMBL4052356)	Inhibition of CYP3A4 in human liver microsomes after 10 mins by LC-MS/MS analysis
50000976	17	ChEMBL_1701370 (CHEMBL4052352)	Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC-MS/MS analysis
50000976	16	ChEMBL_1701372 (CHEMBL4052354)	Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC-MS/MS analysis
50000977	1	ChEMBL_1701380 (CHEMBL4052362)	Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidonic acid for 2 mins by fluorescence analysis
50000977	2	ChEMBL_1701379 (CHEMBL4052361)	Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidonic acid for 2 mins by fluorescence analysis
50000978	1	ChEMBL_1701460 (CHEMBL4052442)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50000979	1	ChEMBL_1701466 (CHEMBL4052448)	Binding affinity to human N-terminal MDMx (1 to 134 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLTS by FP assay
50000979	2	ChEMBL_1701465 (CHEMBL4052447)	Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 15 mins in presence of 5-FAM-LTFEHYWAQLTS by FP assay
50000979	3	ChEMBL_1701495 (CHEMBL4052477)	Binding affinity to N-terminal domain of human 15N-labeled MDM2 expressed in Escherichia coli BL21 (DE3) by HSQC method
50000980	1	ChEMBL_1701541 (CHEMBL4052523)	Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosphorylation at Thr69/71 at 1 uM after 1 hr by ELISA
50000980	2	ChEMBL_1701496 (CHEMBL4052478)	Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 20 mins followed by addition of [33P]-ATP measured after 2 hrs by filter-binding method
50000980	3	ChEMBL_1701509 (CHEMBL4052491)	Binding affinity to wild-type human EGFR (669 to 1011 residues) expressed in bacterial system preincubated for 1 hr followed by 30 fold dilution measured after 5 hrs
50000980	4	ChEMBL_1701500 (CHEMBL4052482)	Inhibition of wild-type EGFR (unknown origin)
50000980	5	ChEMBL_1701508 (CHEMBL4052490)	Binding affinity to wild-type human EGFR (669 to 1011 residues) expressed in bacterial system incubated for 1 hr
50000981	1	ChEMBL_1701592 (CHEMBL4052574)	Inhibition of mouse ATX using TG-mTMP as substrate after 2 hrs by fluorometric analysis
50000981	2	ChEMBL_1701593 (CHEMBL4052575)	Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as substrate preincubated for 20 mins followed by substrate addition by fluorescence assay
50000984	1	ChEMBL_1701603 (CHEMBL4052836)	Inhibition of Bcl-2 (unknown origin)
50000984	2	ChEMBL_1701604 (CHEMBL4052837)	Inhibition of Bcl-xL (unknown origin)
50000984	3	ChEMBL_1701605 (CHEMBL4052838)	Inhibition of Bcl-w (unknown origin)
50000984	4	ChEMBL_1701606 (CHEMBL4052839)	Binding affinity to Mcl-1 (unknown origin)
50000984	5	ChEMBL_1701607 (CHEMBL4052840)	Binding affinity to Bcl2A1 (unknown origin)
50000984	6	ChEMBL_1701608 (CHEMBL4052841)	Inhibition of FITC-labeled Bak-BH3 binding to GST-tagged Bcl-xL (unknown origin) preincubated for 5 mins followed by FITC-Bak-BH3 addition measured after 10 mins by fluorescence polarization assay
50000984	7	ChEMBL_1701617 (CHEMBL4052850)	Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay
50000984	8	ChEMBL_1701618 (CHEMBL4052851)	Binding affinity to Bcl-xL (unknown origin) by TR-FRET assay
50000984	9	ChEMBL_1701619 (CHEMBL4052852)	Binding affinity to Bcl-w (unknown origin) by TR-FRET assay
50000984	10	ChEMBL_1701620 (CHEMBL4052853)	Binding affinity to Mcl-1 (unknown origin) by TR-FRET assay
50000984	11	ChEMBL_1701621 (CHEMBL4052854)	Inhibition of biotinylated BIM BH3 26-mer peptide binding to GST-tagged Bcl-xL (unknown origin) pre-incubated for 30 mins followed by peptide addition measured after 4 hrs by AlphaScreen assay
50000984	12	ChEMBL_1701631 (CHEMBL4052864)	Inhibition of fluorescein-labeled 16-mer Bak peptide binding to Bcl-xL (unknown origin) by fluorescence polarization assay
50000984	13	ChEMBL_1701630 (CHEMBL4052863)	Inhibition of Bak BH3 peptide binding to GST-tagged human Bcl-xL after 3 hrs by Western blotting-based GST pull-down assay
50000984	14	ChEMBL_1701632 (CHEMBL4052865)	Inhibition of Bim BH3 peptide binding to GST-tagged human Mcl-1 after 3 hrs by Western blotting-based GST pull-down assay
50000984	15	ChEMBL_1701633 (CHEMBL4052866)	Inhibition of FITC-labeled Bak-BH3 peptide binding to Bcl-xL (unknown origin) by fluorescence polarization assay
50000984	16	ChEMBL_1701627 (CHEMBL4052860)	Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay
50000984	17	ChEMBL_1701634 (CHEMBL4052867)	Inhibition of FITC-labeled Bak-BH3 peptide binding to Mcl-1 (unknown origin) by fluorescence polarization assay
50000984	18	ChEMBL_1701609 (CHEMBL4052842)	Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl-2 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured after 10 mins by fluorescence polarization assay
50000984	19	ChEMBL_1701610 (CHEMBL4052843)	Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Mcl-1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured after 10 mins by fluorescence polarization assay
50000984	20	ChEMBL_1701611 (CHEMBL4052844)	Inhibition of FITC-labeled Bim BH3 binding to GST-tagged Bcl2A1 (unknown origin) preincubated for 2 mins followed by FITC-Bim-BH3 addition measured after 10 mins by fluorescence polarization assay
50000984	21	ChEMBL_1701612 (CHEMBL4052845)	Inhibition of FAM-Bid binding to Bcl-2 (unknown origin) after 30 mins by fluorescence polarization assay
50000984	22	ChEMBL_1701613 (CHEMBL4052846)	Inhibition of FAM-Bid binding to Mcl-1 (unknown origin) after 30 mins by fluorescence polarization assay
50000984	23	ChEMBL_1701602 (CHEMBL4052835)	Inhibition of biotinylated Bim BH3 peptide binding to GST-tagged mouse Mcl-1 expressed in Escherichia coli BL21 (DE3) pre-incubated for 1 hr followed by incubation with shaking for 2 hrs and subsequent Bim BH3 peptide addition measured after 1.5 hrs by ELISA
50000984	24	ChEMBL_1701615 (CHEMBL4052848)	Inhibition of FITC-BID BH3 peptide binding to recombinant GST-tagged N-terminal/C-terminal truncated Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 5 mins by fluorescence polarization assay
50000984	25	ChEMBL_1701616 (CHEMBL4052849)	Inhibition of FITC-BID BH3 peptide binding to recombinant GST-tagged C-terminal truncated Bcl-xL (unknown origin) expressed in Escherichia coli BL21 (DE3) after 5 mins by fluorescence polarization assay
50000984	26	ChEMBL_1701626 (CHEMBL4052859)	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50000985	1	ChEMBL_1701638 (CHEMBL4052871)	Inhibition of recombinant human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50000985	2	ChEMBL_1701639 (CHEMBL4052872)	Inhibition of recombinant human TAF1 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50000985	3	ChEMBL_1701656 (CHEMBL4052889)	Binding affinity to BRD9 (unknown origin) by isothermal titration calorimetry
50000985	4	ChEMBL_1701657 (CHEMBL4052890)	Binding affinity to BRD7 (unknown origin) by isothermal titration calorimetry
50000986	1	ChEMBL_1701703 (CHEMBL4052936)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method
50000986	2	ChEMBL_1701704 (CHEMBL4052937)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 1 hr by MicroBeta microplate counting method
50000987	1	ChEMBL_1701709 (CHEMBL4052942)	Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay
50000987	2	ChEMBL_1701713 (CHEMBL4052946)	Inhibition of NIK in human HeLa cells assessed as decrease in antilymphotoxin-beta receptor antibody-stimulated p52 translocation from cytoplasm to nucleus after 5 hrs
50000987	3	ChEMBL_1701708 (CHEMBL4052941)	Inhibition of TNF-alpha-stimulated RELA translocation from cytoplasm to nucleus in human HeLa cells preincubated for 4.5 hrs followed by TNF-alpha stimulation measured after 30 mins
50000987	4	ChEMBL_1701714 (CHEMBL4052947)	Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2:3PS lipid substrate after 120 mins by ADP-Glo assay
50000987	5	ChEMBL_1701711 (CHEMBL4052944)	Inhibition of NIK (unknown origin) expressed in HEK293 cells assessed as decrease in NFkappaB signal after 24 hrs by dual glo luciferase reporter gene assay
50000987	6	ChEMBL_1701717 (CHEMBL4052950)	Binding affinity to NIK (unknown origin) by SPR method
50000988	1	ChEMBL_1701752 (CHEMBL4052985)	Inhibition of recombinant KLK7 (unknown origin) expressed in zymogen form in Pichia pastorisstrain X-33 using KHLY-pNA as substrate after 30 mins
50000988	2	ChEMBL_1701755 (CHEMBL4052988)	Inhibition of human PR3 using Suc(OMe)-AAPV-MCA as substrate after 30 mins
50000988	3	ChEMBL_1701757 (CHEMBL4052990)	Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins
50000988	4	ChEMBL_1701756 (CHEMBL4052989)	Inhibition of human neutrophil elastase using Suc(OMe)-AAPV-pNA as substrate after 30 mins
50000988	5	ChEMBL_1701751 (CHEMBL4052984)	Inhibition of rat mast cell chymase using Suc-AAPF-pNA as substrate after 30 mins
50000988	6	ChEMBL_1701750 (CHEMBL4052983)	Inhibition of human alpha-thrombin using Glt-Gly-Arg-MCA as substrate after 30 mins
50000988	7	ChEMBL_1701749 (CHEMBL4052982)	Inhibition of human plasmin using Ac-RM(O2)YRpNA as substrate after 30 mins
50000989	1	ChEMBL_1701778 (CHEMBL4053011)	Inhibition of human ATAD2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	2	ChEMBL_1701777 (CHEMBL4053010)	Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	3	ChEMBL_1701776 (CHEMBL4053009)	Inhibition of human BRPF3 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	4	ChEMBL_1701775 (CHEMBL4053008)	Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	5	ChEMBL_1701840 (CHEMBL4053073)	Inhibition of human SMARCA2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	6	ChEMBL_1701839 (CHEMBL4053072)	Inhibition of human CECR2 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	7	ChEMBL_1701838 (CHEMBL4053071)	Inhibition of human TRIM33 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	8	ChEMBL_1701837 (CHEMBL4053070)	Inhibition of human BAZ2A expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	9	ChEMBL_1701836 (CHEMBL4053069)	Inhibition of human PCAF expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	10	ChEMBL_1701835 (CHEMBL4053068)	Inhibition of human CREBBP expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	11	ChEMBL_1701784 (CHEMBL4053017)	Inhibition of human His tagged BRD4-BD1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	12	ChEMBL_1701783 (CHEMBL4053016)	Inhibition of human His tagged BRD9 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	13	ChEMBL_1701780 (CHEMBL4053013)	Inhibition of human His tagged BRPF1 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	14	ChEMBL_1701779 (CHEMBL4053012)	Inhibition of human ATAD2B expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	15	ChEMBL_1701769 (CHEMBL4053002)	Inhibition of human BRD7 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	16	ChEMBL_1701767 (CHEMBL4053000)	Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	17	ChEMBL_1701843 (CHEMBL4053076)	Inhibition of human His tagged TAF1A incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	18	ChEMBL_1701842 (CHEMBL4053075)	Inhibition of human His tagged FALZ incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	19	ChEMBL_1701841 (CHEMBL4053074)	Inhibition of human His tagged CECR2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	20	ChEMBL_1701768 (CHEMBL4053001)	Inhibition of human BRD9 expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50000989	21	ChEMBL_1701788 (CHEMBL4053021)	Binding affinity to human BRD9 by isothermal titration calorimetry
50000989	22	ChEMBL_1701787 (CHEMBL4053020)	Binding affinity to human BRPF3 by isothermal titration calorimetry
50000989	23	ChEMBL_1701786 (CHEMBL4053019)	Binding affinity to human BRPF2 by isothermal titration calorimetry
50000989	24	ChEMBL_1701785 (CHEMBL4053018)	Binding affinity to human BRPF1 by isothermal titration calorimetry
50000989	25	ChEMBL_1701782 (CHEMBL4053015)	Inhibition of human His tagged BRPF3 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000989	26	ChEMBL_1701781 (CHEMBL4053014)	Inhibition of human His tagged BRPF2 incubated for 30 mins followed by addition of biotinylated peptide and further incubation for 30 mins measured by AlphaScreen assay
50000990	1	ChEMBL_1702004 (CHEMBL4053237)	Agonist activity at human GPR40 transfected in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 to 45 mins by HTRF assay
50000990	2	ChEMBL_1701990 (CHEMBL4053223)	Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay
50000990	3	ChEMBL_1702021 (CHEMBL4053254)	Inhibition of CYP2C8 (unknown origin)
50000990	5	ChEBML_1702023	Inhibition of CYP3A4 (unknown origin)
50000990	10	ChEMBL_1701992 (CHEMBL4053225)	Agonist activity at mouse GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay
50000990	6	ChEBML_1701995	Transactivation of human Gal4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50000990	7	ChEBML_1702003	Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay
50000990	8	ChEBML_1701990	Agonist activity at human GPR40 expressed in CHO-A12 cells assessed as increase in intracellular calcium flux measured for 100 secs by FLIPR assay
50000990	11	ChEMBL_1701991 (CHEMBL4053224)	Binding affinity to human GPR40 expressed in HEK293 cell membranes after 1 hr by radioligand displacement based scintillation counting method
50000990	9	ChEMBL_1702003 (CHEMBL4053236)	Agonist activity at GPR40 in mouse STC1 cells assessed as induction of GLP-1 secretion measured after 1 hr by HTRF assay
50000990	12	ChEMBL_1702022 (CHEMBL4053255)	Inhibition of CYP2C9 (unknown origin)
50000991	1	ChEMBL_1702172 (CHEMBL4053405)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of ATP by HTRF method
50000991	2	ChEMBL_1702174 (CHEMBL4053407)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of ATP by HTRF method
50000991	3	ChEMBL_1702178 (CHEMBL4053411)	Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincubated for 30 mins followed by RANTES addition measured at 2 secs time interval for 5 mins by Fluo-4-AM dye based fluorescence assay
50000991	4	ChEMBL_1702170 (CHEMBL4053403)	Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis
50000991	5	ChEMBL_1702173 (CHEMBL4053406)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of ATP by HTRF method
50000991	6	ChEMBL_1702171 (CHEMBL4053404)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of ATP by HTRF method
50000993	1	ChEMBL_1702183 (CHEMBL4053416)	Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins
50000993	2	ChEMBL_1702181 (CHEMBL4053414)	Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition
50000993	3	ChEMBL_1702180 (CHEMBL4053413)	Inhibition of tyrosinase (unknown origin) using L-tyrosine as substrate preincubated for 15 mins followed by substrate addition
50000994	1	ChEMBL_1702323 (CHEMBL4053556)	Inhibition of human MetAP1
50000994	2	ChEMBL_1702324 (CHEMBL4053557)	Inhibition of human MetAP2
50000995	1	ChEMBL_1702328 (CHEMBL4053561)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis
50000995	2	ChEMBL_1702327 (CHEMBL4053560)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis
50000996	1	ChEMBL_1702388 (CHEMBL4053621)	Inhibition of human A549 cell microsomal membrane-derived mPGES-1 assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins followed by PGH2 addition measured after 1 min by RP-HPLC analysis
50000996	2	ChEMBL_1702386 (CHEMBL4053619)	Inhibition of human recombinant 5-LO expressed in Escherichia coli MV1190 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by RP-HPLC analysis
50000996	3	ChEMBL_1702387 (CHEMBL4053620)	Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins in presence of Ca2+ ionophore A23187 by RP-HPLC analysis
50000997	1	ChEMBL_1702517 (CHEMBL4053750)	Displacement of [3H]M-MPEP from mGluR5 (unknown origin) measured after 60 mins
50000997	2	ChEMBL_1702511 (CHEMBL4053744)	Displacement of [3H]M-MPEP from mGluR5 in rat cerebrocortical membranes measured after 60 mins
50000997	3	ChEMBL_1702512 (CHEMBL4053745)	Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate measured after 60 mins
50000999	1	ChEMBL_1702577 (CHEMBL4053810)	Inhibition of human recombinant cytoplasmic GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus using TK-substrate-biotin preincubated for 15 mins followed by substrate addition measured after 60 mins by FRET-based Z'-Lyte assay
50000999	2	ChEMBL_1702620 (CHEMBL4053853)	Inhibition of human ERG expressed in HEK293 cells by lonWorks Quattro analysis
50001000	1	ChEMBL_1702688 (CHEMBL4053921)	Inhibition of recombinant His/FLAG-tagged Leishmania infantum TryR dimerization assessed as dimer disruption after 1 hr by ELISA
50001000	2	ChEMBL_1702687 (CHEMBL4053920)	Inhibition of recombinant Leishmania infantum TryR preincubated for 10 mins followed by T[S]2 substrate addition and measured after 1 hr in presence of NADPH
50001002	1	ChEMBL_1702698 (CHEMBL4053931)	Inhibition of human recombinant full-length N-terminal His-tagged BTK expressed in baculovirus infected Sf9 insect cells after 60 mins by ADP-Glo kinase assay
50001003	1	ChEMBL_1702752 (CHEMBL4053985)	Inhibition of chymotrypsin-like activity of 26S proteasome beta 5 subunit in human U266 cells using Suc-LLVY-aminoluciferin as substrate after 1 hr by Proteosome-Glo luminescence assay
50001004	1	ChEMBL_1702771 (CHEMBL4054004)	Inhibition of Pseudomonas aeruginosa 6His-tagged GIM-1 (Q19 to D250 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitrocefin as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric analysis
50001004	2	ChEMBL_1702770 (CHEMBL4054003)	Inhibition of Pseudomonas aeruginosa 301-5473 6His-tagged VIM-2 (V27 to E268 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using nitrocefin as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric analysis
50001004	3	ChEMBL_1702782 (CHEMBL4054015)	Inhibition of Pseudomonas aeruginosa VIM-2 expressed in Escherichia coli NCB326-1B2 using nitrocefin as substrate after 5 mins by spectrophotometric analysis
50001005	1	ChEMBL_1702794 (CHEMBL4054027)	Inhibition of recombinant human MAO-B using kynuramine as substrate by fluorescence spectroscopy
50001005	2	ChEMBL_1702786 (CHEMBL4054019)	Inhibition of recombinant human MAO-A using kynuramine as substrate by fluorescence spectroscopy
50001005	3	ChEMBL_1702792 (CHEMBL4054025)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy
50001005	4	ChEMBL_1702791 (CHEMBL4054024)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy
50001005	5	ChEMBL_1702790 (CHEMBL4054023)	Non-competitive inhibition of human brain mitochondria MAO-B using kynuramine as substrate by Lineweaver-Burk analysis
50001005	6	ChEMBL_1702789 (CHEMBL4054022)	Competitive inhibition of human brain mitochondria MAO-A using kynuramine as substrate by Lineweaver-Burk analysis
50001005	7	ChEMBL_1702787 (CHEMBL4054020)	Inhibition of human liver mitochondria MAO-B using 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine as substrate after 15 mins by spectrophotometric analysis
50001005	8	ChEMBL_1702788 (CHEMBL4054021)	Inhibition of human gastrointestinal mitochondria MAO-A using 1-methyl-4-(1-methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine as substrate after 30 mins by spectrophotometric analysis
50001006	1	ChEMBL_1702964 (CHEMBL4054197)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50001006	2	ChEMBL_1702959 (CHEMBL4054192)	Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman's method
50001006	3	ChEMBL_1702961 (CHEMBL4054194)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50001007	1	ChEMBL_1702993 (CHEMBL4054226)	Inhibition of full-length mouse 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 hr by scintillation proximity assay
50001007	2	ChEMBL_1702992 (CHEMBL4054225)	Inhibition of mouse N-terminal His-tagged 11beta-HSD1 expressed in Escherichia coli using cortisol as substrate by fluorescence-based assay
50001007	3	ChEMBL_1702991 (CHEMBL4054224)	Inhibition of human N-terminal His-tagged 11beta-HSD1 expressed in Escherichia coli using cortisol as substrate by fluorescence-based assay
50001007	4	ChEMBL_1702998 (CHEMBL4054231)	Inhibition of full-length human 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 2 hr by scintillation proximity assay
50001007	5	ChEMBL_1702996 (CHEMBL4054229)	Inhibition of full-length human 11beta-HSD1 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 2 hr by scintillation proximity assay
50001007	6	ChEMBL_1702997 (CHEMBL4054230)	Inhibition of full-length mouse 11beta-HSD2 expressed in HEK293 microsomal fraction using [3H]cortisone as substrate after 1 hr by scintillation proximity assay
50001008	1	ChEMBL_1703052 (CHEMBL4054285)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001008	2	ChEMBL_1703054 (CHEMBL4054287)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001008	3	ChEMBL_1703056 (CHEMBL4054289)	Inhibition of FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001008	4	ChEMBL_1703046 (CHEMBL4054279)	Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate at after 1 hr by ELISA
50001008	5	ChEMBL_1703048 (CHEMBL4054281)	Inhibition of Ret (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001008	6	ChEMBL_1703004 (CHEMBL4054237)	Inhibition of GSK3beta (unknown origin)
50001008	7	ChEMBL_1703050 (CHEMBL4054283)	Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001009	1	ChEMBL_1703195 (CHEMBL4054428)	Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by fluorescence assay
50001009	2	ChEMBL_1703196 (CHEMBL4054429)	Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by fluorescence assay
50001009	3	ChEMBL_1703197 (CHEMBL4054430)	Inhibition of N-terminal His-tagged recombinant human SIRT-3 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by fluorescence assay
50001010	1	ChEMBL_1703399 (CHEMBL4054632)	Inhibition of DHFR (unknown origin)
50001010	2	ChEMBL_1703398 (CHEMBL4054631)	Inhibition of Pneumocystis carinii DHFR
50001010	3	ChEMBL_1703401 (CHEMBL4054634)	Inhibition of human DHFR
50001010	4	ChEMBL_1703366 (CHEMBL4054599)	Inhibition of human DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric analysis
50001012	1	ChEMBL_1703425 (CHEMBL4054658)	Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 10 mins
50001012	9	ChEMBL_1703414 (CHEMBL4054647)	Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay
50001012	3	ChEBML_1703428	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition measured after 1 min by UV spectrophotometric assay
50001012	2	ChEMBL_1703429 (CHEMBL4054662)	Inhibition of xanthine oxidase (unknown origin) by SAR analysis
50001012	4	ChEBML_1703429	Inhibition of xanthine oxidase (unknown origin) by SAR analysis
50001012	6	ChEMBL_1703421 (CHEMBL4054654)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 5 mins followed by substrate addition by UV-Vis spectrophotometric assay
50001012	12	ChEMBL_1703418 (CHEMBL4054651)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate measured at every 1 mins up to 5 mins
50001012	14	ChEMBL_1703430 (CHEMBL4054663)	Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 30 mins by UV-Vis spectrophotometric assay
50001012	8	ChEMBL_1703423 (CHEMBL4054656)	Inhibition of bovine milk xanthine oxidase assessed using xanthine as substrate after 10 mins by fluorometric assay
50001012	5	ChEMBL_1703410 (CHEMBL4054643)	Non-competitive inhibition of human xanthine oxidase
50001012	13	ChEMBL_1703409 (CHEMBL4054642)	Binding affinity to bovine milk xanthine oxidase assessed as reduction in conversion of 4-HPP to 4,6-diHPP by measuring cytochrome c reduction by spectrophotometric assay
50001012	11	ChEMBL_1703416 (CHEMBL4054649)	Inhibition of xanthine oxidase (unknown origin) assessed as reduction in uric acid formation using xanthine as substrate after 4 mins by UV-Vis spectrophotometric assay
50001012	15	ChEMBL_1703428 (CHEMBL4054661)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition measured after 1 min by UV spectrophotometric assay
50001012	10	ChEMBL_1703426 (CHEMBL4054659)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric assay
50001012	7	ChEMBL_1703411 (CHEMBL4054644)	Competitive inhibition of bovine milk xanthine oxidoreductase assessed as reduction in uric acid formation by spectrophotometric assay
50001015	1	ChEMBL_1703503 (CHEMBL4054736)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 15 mins by LC-MS/MS analysis
50001015	2	ChEMBL_1703447 (CHEMBL4054680)	Antagonist activity at P2X7 in human PBMC assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP addition measured after 1.5 hrs by ELISA
50001015	3	ChEMBL_1703501 (CHEMBL4054734)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins by LC-MS/MS analysis
50001015	4	ChEMBL_1703500 (CHEMBL4054733)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins by LC-MS/MS analysis
50001015	5	ChEMBL_1703504 (CHEMBL4054737)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC-MS/MS analysis
50001015	6	ChEMBL_1703432 (CHEMBL4054665)	Antagonist activity at human P2X7
50001015	7	ChEMBL_1703524 (CHEMBL4054757)	Inhibition of [3H]-dofetilide binding to human ERG expressed in HEK293 cells
50001015	8	ChEMBL_1703449 (CHEMBL4054682)	Antagonist activity at P2X7 in mouse whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP addition measured after 1.5 hrs by ELISA
50001015	9	ChEMBL_1703526 (CHEMBL4054759)	Antagonist activity at recombinant human P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 mins followed by BzATP addition measured over 180 secs by FLIPR assay
50001015	10	ChEMBL_1703525 (CHEMBL4054758)	Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 mins followed by BzATP addition measured over 180 secs by FLIPR assay
50001015	11	ChEMBL_1703445 (CHEMBL4054678)	Antagonist activity at P2X7 in rat brain cortex
50001015	12	ChEMBL_1703502 (CHEMBL4054735)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins by LC-MS/MS analysis
50001015	13	ChEMBL_1703499 (CHEMBL4054732)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysis
50001015	14	ChEMBL_1703455 (CHEMBL4054688)	Antagonist activity at mouse P2X7 assessed as inhibition of BzATP-induced calcium flux preincubated for 30 mins followed by BzATP addition measured over 180 secs by FLIPR assay
50001015	15	ChEMBL_1703453 (CHEMBL4054686)	Antagonist activity at macaque P2X7 assessed as inhibition of BzATP-induced calcium flux preincubated for 30 mins followed by BzATP addition measured over 180 secs by FLIPR assay
50001015	16	ChEMBL_1703451 (CHEMBL4054684)	Displacement of [3H]-A-804598 from recombinant human P2X7 expressed in human 1321N1 cells after 1 hr
50001015	17	ChEMBL_1703450 (CHEMBL4054683)	Antagonist activity at P2X7 in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP addition measured after 1.5 hrs by ELISA
50001015	18	ChEMBL_1703452 (CHEMBL4054685)	Displacement of [3H]-A-804598 from recombinant rat P2X7 expressed in human 1321N1 cells after 1 hr
50001016	1	ChEMBL_1703549 (CHEMBL4054782)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes
50001016	2	ChEMBL_1703544 (CHEMBL4054777)	Displacement of [3H]spiperone from human D2-long receptor expressed in CHO cell membranes
50001016	3	ChEMBL_1703545 (CHEMBL4054778)	Displacement of [3H]spiperone from human D2-short receptor expressed in CHO cell membranes
50001016	4	ChEMBL_1703546 (CHEMBL4054779)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes
50001016	5	ChEMBL_1703547 (CHEMBL4054780)	Displacement of [3H]spiperone from human D4 receptor expressed in CHO cell membranes
50001016	6	ChEMBL_1703542 (CHEMBL4054775)	Displacement of [3H]SCH23990 from human D1 receptor expressed in HEK293T cell membranes
50001016	7	ChEMBL_1703543 (CHEMBL4054776)	Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes
50001017	12	ChEMBL_1703591 (CHEMBL4054824)	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2 induced IFN-gamma production after 18 hrs by ELISA
50001017	13	ChEMBL_1703612 (CHEMBL4054845)	Inhibition of human ERG by flux-based assay
50001017	2	ChEBML_1703586	Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay
50001017	3	ChEBML_1703588	Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method
50001017	4	ChEBML_1703589	Inhibition of GST-tagged JAK2 (unknown origin) after 3 hrs by Caliper assay
50001017	5	ChEBML_1703587	Inhibition of His-tagged TYK2 (unknown origin) after 3 hrs by Caliper assay
50001017	6	ChEBML_1703623	Activation of PXR (unknown origin)
50001017	7	ChEBML_1703611	Inhibition of CYP3A4 (unknown origin)
50001017	14	ChEMBL_1703589 (CHEMBL4054822)	Inhibition of GST-tagged JAK2 (unknown origin) after 3 hrs by Caliper assay
50001017	8	ChEBML_1703591	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2 induced IFN-gamma production after 18 hrs by ELISA
50001017	9	ChEMBL_1703610 (CHEMBL4054843)	Inhibition of human ERG by patch clamp method
50001017	10	ChEBML_1703652	Inhibition of Rho-associated protein kinase 1 (unknown origin)
50001017	11	ChEBML_1703653	Inhibition of Rho-associated protein kinase 2 (unknown origin)
50001020	1	ChEMBL_1704060 (CHEMBL4055293)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition after 20 mins by Amplex red reagent based fluorimetric method
50001020	2	ChEMBL_1704061 (CHEMBL4055294)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition after 20 mins by Amplex red reagent based fluorimetric method
50001023	1	ChEMBL_1704106 (CHEMBL4055339)	Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addition after 1 hr by fluorescence polarization assay
50001023	2	ChEMBL_1704105 (CHEMBL4055338)	Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5A SH2 domain (unknown origin) pretreated for 1 hr followed by fluorescent tracer addition after 1 hr by fluorescence polarization assay
50001023	3	ChEMBL_1704108 (CHEMBL4055341)	Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from C-terminal His6-tagged/N-terminal maltose-binding protein-tagged STAT5A SH2 domain (unknown origin) (137 to 707 residues) Escherichia coli BL21(DE3) pretreated for 1 hr followed by fluorescent tracer addition after 1 hr by fluorescence polarization assay
50001024	1	ChEMBL_1704121 (CHEMBL4055354)	Inhibition of TAMRA-labelled WNK4 binding to recombinant rat C-terminal GST-fused SPAK (452 to 553 residues) expressed in Escherichia coli BL21 measured for 15 secs by FCS assay
50001025	1	ChEMBL_1704128 (CHEMBL4055361)	Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver microsomes after 120 mins TopCount liquid scintillation counting method
50001025	2	ChEMBL_1704139 (CHEMBL4055372)	Inhibition of SCD1 (unknown origin)
50001026	1	ChEMBL_1704149 (CHEMBL4055382)	Antagonist activity at open state of GluA2Qflip isoform (unknown origin) expressed in HEK293 cells assessed as reduction in glutamate-induced current response in presence of 3 mM glutamate by whole cell assay relative to control
50001026	2	ChEMBL_1704148 (CHEMBL4055381)	Antagonist activity at closed state of GluA2Qflip isoform (unknown origin) expressed in HEK293 cells assessed as reduction in glutamate-induced current response in presence of 0.1 mM glutamate by whole cell assay
50001026	3	ChEMBL_1704151 (CHEMBL4055384)	Antagonist activity at open state of GFP-tagged GluA2Qflip isoform (unknown origin) expressed in HEK293S cells assessed as reduction in glutamate-induced current response in presence of 3 mM glutamate by whole cell assay relative to control
50001026	4	ChEMBL_1704150 (CHEMBL4055383)	Antagonist activity at closed state of GFP-tagged GluA2Qflip isoform (unknown origin) expressed in HEK293S cells assessed as reduction in glutamate-induced current response in presence of 0.1 mM glutamate by whole cell assay
50001026	5	ChEMBL_1704163 (CHEMBL4055396)	Antagonist activity at open state of GluA4 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 3 mM glutamate
50001026	6	ChEMBL_1704162 (CHEMBL4055395)	Antagonist activity at closed state of GluA4 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 100 uM glutamate
50001026	7	ChEMBL_1704161 (CHEMBL4055394)	Antagonist activity at open state of GluA3 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 3 mM glutamate
50001026	8	ChEMBL_1704160 (CHEMBL4055393)	Antagonist activity at closed state of GluA3 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 100 uM glutamate
50001026	9	ChEMBL_1704159 (CHEMBL4055392)	Antagonist activity at open state of GluA1 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 2 mM glutamate
50001026	10	ChEMBL_1704158 (CHEMBL4055391)	Antagonist activity at closed state of GluA1 (unknown origin) assessed as reduction in glutamate-induced current response in presence of 40 to 50 uM glutamate
50001028	1	ChEMBL_1704223 (CHEMBL4055456)	Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate measured after 60 mins by ADP-Glo kinase assay
50001029	1	ChEMBL_1704267 (CHEMBL4055500)	Inhibition of recombinant human BACE1
50001029	2	ChEMBL_1704260 (CHEMBL4055493)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometric analysis
50001029	3	ChEMBL_1704261 (CHEMBL4055494)	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by spectrophotometric analysis
50001029	4	ChEMBL_1704262 (CHEMBL4055495)	Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by FRET assay
50001029	5	ChEMBL_1704263 (CHEMBL4055496)	Mixed type inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by Dixon plot analysis
50001029	6	ChEMBL_1704264 (CHEMBL4055497)	Noncompetitive inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by Dixon plot analysis
50001030	1	ChEMBL_1704270 (CHEMBL4055503)	Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50001030	2	ChEMBL_1704268 (CHEMBL4055501)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50001030	3	ChEMBL_1704269 (CHEMBL4055502)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50001030	4	ChEMBL_1704274 (CHEMBL4055507)	Competitive inhibition of porcine liver carboxylesterase using varying levels of 4-nitrophenol acetate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis
50001031	1	ChEBML_1704331	Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay
50001031	11	ChEMBL_1704329 (CHEMBL4055562)	Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after 30 mins by ADP-Glo assay
50001031	3	ChEBML_1704329	Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after 30 mins by ADP-Glo assay
50001031	4	ChEBML_1704339	Binding affinity to partial length human MEK5 expressed in HEK293 cells by active-site-dependent competition assay
50001031	5	ChEBML_1704340	Binding affinity to partial length human SIK expressed in Escherichia coli BL21 by active-site-dependent competition assay
50001031	6	ChEBML_1704341	Binding affinity to partial length human SRMS expressed in HEK293 cells by active-site-dependent competition assay
50001031	12	ChEMBL_1704331 (CHEMBL4055564)	Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay
50001031	10	ChEMBL_1704336 (CHEMBL4055569)	Binding affinity to partial length human KIT expressed in Escherichia coli BL21 by active-site-dependent competition assay
50001031	9	ChEMBL_1704335 (CHEMBL4055568)	Binding affinity to partial length human FRK expressed in Escherichia coli BL21 by active-site-dependent competition assay
50001031	2	ChEMBL_1704332 (CHEMBL4055565)	Binding affinity to partial length human ZAK expressed in Escherichia coli BL21 by active-site-dependent competition assay
50001031	8	ChEMBL_1704333 (CHEMBL4055566)	Binding affinity to partial length human AURKB expressed in HEK293 cells by active-site-dependent competition assay
50001031	7	ChEMBL_1704365 (CHEMBL4055598)	Inhibition of human ZAK (5 to 309 residues) expressed in baculovirus infected Sf9 insect cells using ZAKtide as substrate after 1 hr by mass spectrometry
50001032	1	ChEMBL_1704367 (CHEMBL4055600)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 6 mins by Ellman's method
50001032	2	ChEMBL_1704370 (CHEMBL4055603)	Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis
50001032	3	ChEMBL_1704368 (CHEMBL4055601)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate measured for 6 mins by Ellman's method
50001032	4	ChEMBL_1704372 (CHEMBL4055605)	Inhibition of human BACE1 using Rh-EVNLDAEFK-quencher as substrate measured after 60 mins by FRET assay
50001032	5	ChEMBL_1704373 (CHEMBL4055606)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by Ellman's method
50001032	6	ChEMBL_1704374 (CHEMBL4055607)	Inhibition of AChE in Sprague-Dawley rat brain homogenates using [3H]-acetylthiocholine iodide as substrate by Ellman's method
50001033	1	ChEMBL_1704403 (CHEMBL4055636)	Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured after 1 hr by scintillation spectrometric analysis
50001033	2	ChEMBL_1704404 (CHEMBL4055637)	Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured after 1 hr by scintillation spectrometric analysis
50001034	1	ChEMBL_1704428 (CHEMBL4055661)	Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interval for 15 mins by FRET assay
50001034	2	ChEMBL_1704427 (CHEMBL4055660)	Inhibition of recombinant human renin expressed in CHOK1 cells by fluorescence GTP assay
50001034	3	ChEMBL_1704429 (CHEMBL4055662)	Inhibition of recombinant human renin
50001035	1	ChEMBL_1704436 (CHEMBL4055669)	Inhibition of recombinant full length human N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by UV/Vis spectrophotometric analysis
50001035	2	ChEMBL_1704437 (CHEMBL4055670)	Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by UV/Vis spectrophotometric analysis
50001035	3	ChEMBL_1704438 (CHEMBL4055671)	Inhibition of HDAC1 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50001035	4	ChEMBL_1704439 (CHEMBL4055672)	Inhibition of HDAC6 (unknown origin) using acetylated peptide substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence analysis
50001036	1	ChEMBL_1704484 (CHEMBL4055717)	Inhibition of N-terminal hexa-histidine-tagged human HGPRT using PRib-PP as substrate in presence of guanine by Hanes plot analysis
50001037	1	ChEMBL_1704502 (CHEMBL4055735)	Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH by HPLC method
50001038	1	ChEMBL_1704527 (CHEMBL4055760)	Inhibition of recombinant human DNA topoisomerase-2alpha assessed as decrease in relaxation of supercoiled pBR322 DNA after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50001039	1	ChEMBL_1704595 (CHEMBL4055828)	Antagonist activity at mouse SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incubated for 15 mins followed by forskolin stimulation for 30 mins by HTRF assay
50001039	2	ChEMBL_1704594 (CHEMBL4055827)	Antagonist activity at human SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incubated for 15 mins followed by forskolin stimulation for 30 mins by HTRF assay
50001040	1	ChEMBL_1704613 (CHEMBL4055846)	Inhibition of recombinant human PARP-2 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after 1 hr by ELISA
50001040	2	ChEMBL_1704612 (CHEMBL4055845)	Inhibition of recombinant human PARP-1 expressed in Escherichia coli BL21 (DE3) using sheared DNA as substrate in presence of biotinylated NAD after 1 hr by ELISA
50001041	1	ChEMBL_1704631 (CHEMBL4055864)	Inhibition of human recombinant PTP1B pre-incubated for 10 mins before pnitrophenyl phosphate substrate addition and measured every 30 secs for 10 mins
50001042	1	ChEMBL_1704634 (CHEMBL4055867)	Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to STAT5B SH2 domain (unknown origin) pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay
50001042	2	ChEMBL_1704633 (CHEMBL4055866)	Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to C-terminal 6x-His-tagged and an N-terminal maltose-binding protein-tagged STAT5A SH2 domain (137 to 507 residues) (unknown origin) expressed in Escherichia coli Rosetta BL21 DE3 pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay
50001042	3	ChEMBL_1704635 (CHEMBL4055868)	Inhibition of 5-carboxyfluorescein-GpYDKPHVL-OH binding to STAT1 (unknown origin) pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay
50001042	4	ChEMBL_1704636 (CHEMBL4055869)	Inhibition of 5-carboxyfluorescein-GpYLPQTV-NH2 binding to mouse STAT3 (127 to 722 residues) expressed in Escherichia coli Rosetta BL21 DE3 pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay
50001044	1	ChEMBL_1704678 (CHEMBL4055911)	Inhibition of LRS canonical enzyme activity in HEK293 cells assessed as effect on enzyme-mediated aminoleucylation
50001044	2	ChEMBL_1704669 (CHEMBL4055902)	Inhibition of LRS-dependent mTORC1 activation in HEK293 cells assessed as reduction in leucine-induced mTORC1-mediated S6 Kinase phosphorylation pretreated before leucine stimulation measured after 10 mins by immunoblot analysis
50001045	1	ChEMBL_1704679 (CHEMBL4055912)	Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as substrate by fluorescence spectrophotometric analysis
50001045	2	ChEMBL_1704681 (CHEMBL4055914)	Inhibition of human recombinant MMP-13 catalytic domain (104 to 274 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as substrate by fluorescence spectrophotometric analysis
50001046	1	ChEMBL_1704777 (CHEMBL4056010)	Displacement of (P)-1-(30-chloro-2-fluoro-5,50-dimethoxy-[1,10biphenyl]-4-yl)-N-(isoxazol-3-yl)-2-oxo-1,2-dihydroquinoline-6-sulfonamide[50-methoxy-C3H3] from human NaV1.7 expressed in HEK293 cell membranes incubated for 1 hr by beta counting method
50001046	2	ChEMBL_1704778 (CHEMBL4056011)	Inhibition of human NaV1.7
50001046	3	ChEMBL_1704707 (CHEMBL4055940)	Inhibition of human NaV1.5 expressed in HEK295 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp method
50001046	4	ChEMBL_1704705 (CHEMBL4055938)	Inhibition of human NaV1.7 expressed in HEK293 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp method
50001046	6	ChEMBL_1704716 (CHEMBL4055949)	Inhibition of NaV1.8 in rat DRG neurons assessed as reduction in tetrodotoxin-sensitive sodium channel currents at holding potential of -140 mV by manual patch clamp electrophysiology assay
50001046	7	ChEMBL_1704717 (CHEMBL4055950)	Inhibition of NaV1.8 in C57BL/6 mouse DRG neurons assessed as reduction in tetrodotoxin-sensitive sodium channel currents at holding potential of -140 mV by manual patch clamp electrophysiology assay
50001046	8	ChEMBL_1704719 (CHEMBL4055952)	Inhibition of human NaV1.5
50001046	9	ChEMBL_1704721 (CHEMBL4055954)	Inhibition of mouse NaV1.7 by whole cell voltage clamp method
50001047	1	ChEMBL_1704812 (CHEMBL4056045)	Binding affinity to FXR (unknown origin)
50001048	1	ChEMBL_1704823 (CHEMBL4056056)	Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50001048	2	ChEMBL_1704822 (CHEMBL4056055)	Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50001049	1	ChEMBL_1704855 (CHEMBL4056088)	Inhibition of mTOR (unknown origin) by Kinase-Glo plus luminescence kinase assay or and ADP-Glo Plus luminescence kinase assay
50001049	2	ChEMBL_1704853 (CHEMBL4056086)	Inhibition of PI3Kalpha (unknown origin) using lipid substrate by Kinase-Glo plus luminescence kinase assay or and ADP-Glo Plus luminescence kinase assay
50001050	1	ChEMBL_1704901 (CHEMBL4056134)	Antagonist activity at human muscarinic M4 receptor
50001050	13	ChEMBL_1704900 (CHEMBL4056133)	Antagonist activity at human recombinant muscarinic M4 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by calcium mobilization assay
50001050	2	ChEBML_1704901	Antagonist activity at human muscarinic M4 receptor
50001050	10	ChEMBL_1704888 (CHEMBL4056121)	Antagonist activity at rat muscarinic M1 receptor by calcium mobilization assay
50001050	8	ChEMBL_1704885 (CHEMBL4056118)	Antagonist activity at rat muscarinic M2 receptor by calcium mobilization assay
50001050	9	ChEMBL_1704898 (CHEMBL4056131)	Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by calcium mobilization assay
50001050	11	ChEMBL_1704902 (CHEMBL4056135)	Antagonist activity at human recombinant muscarinic M5 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by calcium mobilization assay
50001050	4	ChEMBL_1704883 (CHEMBL4056116)	Antagonist activity at rat muscarinic M4 receptor by calcium mobilization assay
50001050	6	ChEMBL_1704896 (CHEMBL4056129)	Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by calcium mobilization assay
50001050	7	ChEMBL_1704863 (CHEMBL4056096)	Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes
50001050	3	ChEMBL_1704894 (CHEMBL4056127)	Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells co-transfected with Gqi5 in presence of EC80 acetylcholine by calcium mobilization assay
50001050	5	ChEMBL_1704884 (CHEMBL4056117)	Antagonist activity at rat muscarinic M3 receptor by calcium mobilization assay
50001050	12	ChEMBL_1704880 (CHEMBL4056113)	Antagonist activity at rat muscarinic M5 receptor by calcium mobilization assay
50001051	1	ChEMBL_1704923 (CHEMBL4056156)	Activation of PXR in human hepatocytes assessed as induction of CYP450 expression
50001051	2	ChEMBL_1704913 (CHEMBL4056146)	Inhibition of human DNA polymerase alpha
50001051	3	ChEMBL_1704951 (CHEMBL4056184)	Inhibition of human DNA polymerase beta
50001052	1	ChEMBL_1704967 (CHEMBL4056200)	Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells using Suc-LLVYaminoluciferin as substrate pretreated for 2 hrs followed by substrate addition by fluorescence assay
50001052	2	ChEMBL_1704968 (CHEMBL4056201)	Inhibition of trypsin-like activity of 20S proteasome in human HL60 cells using Z-LRRaminoluciferin as substrate pretreated for 2 hrs followed by substrate addition by fluorescence assay
50001052	3	ChEMBL_1704969 (CHEMBL4056202)	Inhibition of PGPH-like activity of 20S proteasome in human HL60 cells using Z-nLPnLDaminoluciferin as substrate pretreated for 2 hrs followed by substrate addition by fluorescence assay
50001053	1	ChEMBL_1704985 (CHEMBL4056218)	Inhibition of bovine liver DHFR pre-incubated 2 mins before dihydrofolic acid substrate addition and measured over 10 mins in presence of NADPH
50001055	1	ChEMBL_1704986 (CHEMBL4056219)	Antagonist activity at human SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incubated for 15 mins followed by forskolin stimulation for 30 mins by HTRF assay
50001055	2	ChEMBL_1704987 (CHEMBL4056220)	Antagonist activity at mouse SSTR5 expressed in CHO cells assessed as inhibition of SST14-induced forskolin-stimulated intracellular cAMP level incubated for 15 mins followed by forskolin stimulation for 30 mins by HTRF assay
50001056	1	ChEMBL_1705038 (CHEMBL4056271)	Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins
50001056	2	ChEMBL_1705039 (CHEMBL4056272)	Inhibition of PTPLAR (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins
50001056	3	ChEMBL_1705040 (CHEMBL4056273)	Inhibition of TCPTP (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins
50001056	4	ChEMBL_1705037 (CHEMBL4056270)	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins
50001056	5	ChEMBL_1705041 (CHEMBL4056274)	Competitive inhibition of PTP1B (unknown origin) at 0.1 to 0.4 uM using p-nitrophenyl phosphate substrate incubated for 30 mins by Lineweaver-Burk double reciprocal plot
50001057	1	ChEMBL_1705057 (CHEMBL4056290)	Agonist activity at human GPR120 short splice variant expressed in HEK293 cells assessed as increase in intracellular calcium flux by Fluo-4 NW dye based FLIPR assay
50001057	2	ChEMBL_1705058 (CHEMBL4056291)	Agonist activity at human GPR120 expressed in CHO-K1 cells assessed as increase in intracellular calcium flux by DiscoveRx PathHunter beta-arrestin assay
50001058	1	ChEMBL_1705103 (CHEMBL4056336)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.1 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	2	ChEMBL_1705102 (CHEMBL4056335)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.25 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	3	ChEMBL_1705101 (CHEMBL4056334)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	4	ChEMBL_1705100 (CHEMBL4056333)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 1 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	5	ChEMBL_1705099 (CHEMBL4056332)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 2.5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	6	ChEMBL_1705098 (CHEMBL4056331)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity measured after 48 hrs by MTT assay
50001058	7	ChEMBL_1705096 (CHEMBL4056329)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 to 96.91 uM)
50001058	8	ChEMBL_1705124 (CHEMBL4056357)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs followed by compound washout measured after 24 hrs by MTT assay (Rvb = 51.34 +/- 5.1 uM)
50001058	9	ChEMBL_1705122 (CHEMBL4056355)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs followed by compound washout measured after 12 hrs by MTT assay (Rvb = 51.34 +/- 5.1 uM)
50001058	10	ChEMBL_1705120 (CHEMBL4056353)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs followed by compound washout measured after 6 hrs by MTT assay (Rvb = 51.34 +/- 5.1 uM)
50001058	11	ChEMBL_1705116 (CHEMBL4056349)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 measured after 48 hrs by MTT assay (Rvb = 51.34 +/- 5.1 uM)
50001058	12	ChEMBL_1705105 (CHEMBL4056338)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.025 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	13	ChEMBL_1705104 (CHEMBL4056337)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.05 uM measured after 48 hrs by MTT assay (Rvb = 43.75 uM)
50001058	14	ChEMBL_1705118 (CHEMBL4056351)	Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs followed by compound washout measured immediately by MTT assay (Rvb = 51.34 +/- 5.1 uM)
50001059	1	ChEMBL_1705144 (CHEMBL4056377)	Inhibition of HDAC1 (unknown origin) by ELISA-based assay
50001059	2	ChEMBL_1705145 (CHEMBL4056378)	Inhibition of HDAC2 (unknown origin) by ELISA-based assay
50001059	3	ChEMBL_1705146 (CHEMBL4056379)	Inhibition of HDAC3 (unknown origin) by ELISA-based assay
50001059	4	ChEMBL_1705147 (CHEMBL4056380)	Inhibition of HDAC6 (unknown origin) by ELISA-based assay
50001059	5	ChEMBL_1705148 (CHEMBL4056381)	Inhibition of HDAC8 (unknown origin) by ELISA-based assay
50001060	1	ChEMBL_1705239 (CHEMBL4056472)	Inhibition of HDAC3 (unknown origin)
50001060	2	ChEMBL_1705240 (CHEMBL4056473)	Inhibition of HDAC8 (unknown origin)
50001060	3	ChEMBL_1705237 (CHEMBL4056470)	Inhibition of HDAC1 (unknown origin)
50001060	4	ChEMBL_1705238 (CHEMBL4056471)	Inhibition of HDAC2 (unknown origin)
50001060	5	ChEMBL_1705241 (CHEMBL4056474)	Inhibition of HDAC6 (unknown origin)
50001061	1	ChEMBL_1705247 (CHEMBL4056480)	Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase incubated for 4 hrs by luciferase reporter gene assay
50001061	2	ChEMBL_1705245 (CHEMBL4056478)	Agonist activity at human GPR119 expressed in HEK293 cells by luciferase reporter gene assay
50001062	1	ChEMBL_1705293 (CHEMBL4056526)	Inhibition of IL-5 in mouse Y16 cells assessed as reduction in cell proliferation after 48 hrs by WST-1 assay
50001063	1	ChEMBL_1705313 (CHEMBL4056546)	Inhibition of human CDK4/CyclinD3 by enzymatic radiometric assay
50001063	2	ChEMBL_1705295 (CHEMBL4056528)	Inhibition of VEGFR2 phosphorylation (unknown origin)
50001063	3	ChEMBL_1705314 (CHEMBL4056547)	Inhibition of human CDK9/CyclinT1 by enzymatic radiometric assay
50001063	4	ChEMBL_1705353 (CHEMBL4056586)	Inhibition of human VEGFR2 by enzymatic radiometric assay
50001065	1	ChEMBL_1705356 (CHEMBL4056589)	Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry
50001066	1	ChEMBL_1705360 (CHEMBL4056593)	Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS method
50001066	2	ChEMBL_1705369 (CHEMBL4056602)	Inhibition of CYP17 hydroxylase in human hepatocyte microsomes using pregnenolone substrate by HPLC/MS/MS method
50001066	3	ChEMBL_1705368 (CHEMBL4056601)	Inhibition of CYP17 lyase in human hepatocyte microsomes using 17a-hydroxypregnenolone substrate by HPLC/MS/MS method
50001066	4	ChEMBL_1705367 (CHEMBL4056600)	Inhibition of CYP11B2 in human hepatocyte microsomes using deoxycorticosteroid substrate by HPLC/MS/MS method
50001066	5	ChEMBL_1705366 (CHEMBL4056599)	Inhibition of CYP11B1 in human hepatocyte microsomes using deoxycortisol substrate by HPLC/MS/MS method
50001066	6	ChEMBL_1705365 (CHEMBL4056598)	Inhibition of CYP2C19 in human hepatocyte microsomes using omeprazole substrate by HPLC/MS/MS method
50001066	7	ChEMBL_1705364 (CHEMBL4056597)	Inhibition of CYP2C9 in human hepatocyte microsomes using diclofenac substrate by HPLC/MS/MS method
50001066	8	ChEMBL_1705370 (CHEMBL4056603)	Inhibition of CYP19 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS method
50001067	1	ChEMBL_1705412 (CHEMBL4056645)	Agonist activity at human TRPM8 expressed in HEK293 cells assessed as increase in intracellular calcium level after 15 mins by Fluo-3-AM dye-based fluorescence assay
50001069	1	ChEMBL_1705425 (CHEMBL4056658)	Agonist activity at human GPR119 expressed in Flp-In-T-Rex-HEK293 cells assessed as stimulation of cAMP level measured after 30 mins by HTRF assay
50001070	1	ChEMBL_1705438 (CHEMBL4056671)	Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as substrate preincubated for 20 mins in presence of [3H]SAM measured after 2 hrs by scintillation proximity assay
50001070	2	ChEMBL_1705439 (CHEMBL4056672)	Inhibition of human G9a catalytic domain (913 to 1193 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as substrate preincubated for 20 mins in presence of [3H]SAM measured after 2 hrs by scintillation proximity assay
50001070	3	ChEMBL_1705441 (CHEMBL4056674)	Binding affinity to human G9a in presence of SAM by isothermal titration calorimetry
50001070	4	ChEMBL_1705440 (CHEMBL4056673)	Binding affinity to human GLP in presence of SAM by isothermal titration calorimetry
50001071	1	ChEMBL_1705443 (CHEMBL4056676)	Inhibition of HCK (75 to 526 residues) (unknown origin) expressed in Sf9 insect cells after 120 mins
50001071	2	ChEMBL_1705445 (CHEMBL4056678)	Inhibition of HCK (unknown origin)
50001071	3	ChEMBL_1705444 (CHEMBL4056677)	Inhibition of human HCK (81 to 526 residues) expressed in Sf9 insect cells after 120 mins
50001073	1	ChEMBL_1705548 (CHEMBL4056781)	Agonist activity at human GPR119 expressed in CHOK1 cells harboring CRE-luciferase after 6 hrs by luciferase reporter gene assay
50001074	1	ChEMBL_1705562 (CHEMBL4056795)	Inhibition of Porphyromonas gingivalis m-Ddh expressed in Escherichia coli BL21 (DE3) pLysS at pH 10.5 using meso-diaminopimelate as substrate by spectrophotometric method
50001074	2	ChEMBL_1705561 (CHEMBL4056794)	Inhibition of Porphyromonas gingivalis m-Ddh expressed in Escherichia coli BL21 (DE3) pLysS at pH 7.8 using meso-diaminopimelate as substrate by spectrophotometric method
50001076	1	ChEMBL_1705580 (CHEMBL4056813)	Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting method
50001076	2	ChEMBL_1705579 (CHEMBL4056812)	Agonist activity at recombinant human HCA2 receptor expressed in Flp-IN HEK cells assessed as reduction in forskolin-stimulated cAMP accumulation measured after 30 mins
50001078	1	ChEMBL_1705583 (CHEMBL4056816)	Inhibition of homologous location truncated N-terminal His-tagged human DHODH expressed in Escherichia coli pyrD Sphi6745 by spectrophotometric analysis
50001079	1	ChEMBL_1705585 (CHEMBL4056818)	Agonist activity at beta-galactosidase enzyme fragment-fused GPR55 (unknown origin) expressed in CHOK1 cells assessed as increase in N-terminal deletion beta-galactosidase mutant-tagged beta arrestin recruitment measured for 1 sec by chemiluminescence based pathhunter assay
50001079	2	ChEMBL_1705586 (CHEMBL4056819)	Agonist activity at HA-epitope-tagged variant of GPR55E with serine enhanced C terminus (unknown origin) expressed in human U2OS cells assessed as increase in GFP-tagged beta arrestin2 recruitment after 75 mins by fluorescence assay
50001079	3	ChEMBL_1705588 (CHEMBL4056821)	Agonist activity at human CB2 receptor expressed in U2OS cells assessed as increase in GFP-tagged beta arrestin recruitment after 75 mins by fluorescence assay
50001079	4	ChEMBL_1705587 (CHEMBL4056820)	Agonist activity at human brain CB1 receptor expressed in U2OS cells assessed as increase in beta arrestin recruitment after 60 mins by fluorescence assay
50001081	1	ChEMBL_1705589 (CHEMBL4056822)	Inhibition of recombinant human neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay
50001082	1	ChEMBL_1705594 (CHEMBL4056827)	Inhibition of Vipera russelii venom sPLA2 using DMPC as substrate preincubated for 2 mins followed by substrate addition measured after 30 mins
50001083	1	ChEMBL_1705664 (CHEMBL4056897)	Inhibition of human NaV1.5 expressed in HEK293 cells at -50 mV holding potential after 3 to 5 mins by PatchXpress automated electrophysiology method
50001083	2	ChEMBL_1705665 (CHEMBL4056898)	Inhibition of slow inactivated human NaV1.7 expressed in HEK293 cells at -20 mV holding potential after 5 mins by IonWorks electrophysiology method
50001083	3	ChEMBL_1705670 (CHEMBL4056903)	Inhibition of slow inactivated rat NaV1.7 at -20 mV holding potential after 5 mins by IonWorks electrophysiology method
50001083	4	ChEMBL_1705671 (CHEMBL4056904)	Inhibition of rat NaV1.7 at -125 mV holding potential yielding 20 to 50% inactivation after 3 to 5 mins by PatchXpress automated electrophysiology method
50001083	5	ChEMBL_1705669 (CHEMBL4056902)	Inhibition of slow inactivated mouse NaV1.7 expressed in HEK293 cells at -20 mV holding potential after 5 mins by IonWorks electrophysiology method
50001083	6	ChEMBL_1705666 (CHEMBL4056899)	Inhibition of human NaV1.7 expressed in HEK293 cells at -125 mV holding potential yielding 20 to 50% inactivation after 3 to 5 mins by PatchXpress automated electrophysiology method
50001083	7	ChEMBL_1705685 (CHEMBL4056918)	Inhibition of human ERG
50001084	1	ChEMBL_1705736 (CHEMBL4056969)	Agonist activity at human Y2 receptor expressed in CHO cell membranes after 120 mins by [35S]GTPgammaS binding assay
50001084	2	ChEMBL_1705735 (CHEMBL4056968)	Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysis
50001085	1	ChEMBL_1705740 (CHEMBL4056973)	Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis
50001086	1	ChEMBL_1705763 (CHEMBL4056996)	Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA based spectrophotometric analysis
50001086	2	ChEMBL_1705764 (CHEMBL4056997)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA based spectrophotometric analysis
50001088	1	ChEMBL_1705765 (CHEMBL4056998)	Inhibition of QR2 (unknown origin) using MTT and NMeH as substrates
50001089	1	ChEMBL_1705780 (CHEMBL4057013)	Inhibition of human dCTPase 1
50001090	1	ChEMBL_1705796 (CHEMBL4057029)	Agonist activity at human mu opioid receptor expressed in CHO-dhfr(-) cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET assay
50001090	2	ChEMBL_1705791 (CHEMBL4057024)	Agonist activity at kappa opioid receptor (unknown origin)
50001090	3	ChEMBL_1705792 (CHEMBL4057025)	Agonist activity at mu opioid receptor (unknown origin)
50001090	4	ChEMBL_1705793 (CHEMBL4057026)	Agonist activity at human kappa opioid receptor
50001090	5	ChEMBL_1705795 (CHEMBL4057028)	Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET assay
50001091	1	ChEMBL_1705809 (CHEMBL4057042)	Inhibition of human mPGES-1 expressed in 293-F cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 secs enzyme immunoassay
50001093	1	ChEMBL_1705858 (CHEMBL4057091)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid production using xanthine as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50001095	1	ChEMBL_1705909 (CHEMBL4057142)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by spectrofluorometric analysis
50001095	2	ChEMBL_1705921 (CHEMBL4057154)	Competitive inhibition of Trypanosoma cruzi trypanothione reductase using varying levels of trypanothione disulfide as substrate by Lineweaver--burk plot analysis
50001096	1	ChEMBL_1705930 (CHEMBL4057163)	Binding affinity to porcine pancreatic lipase using p-nitrophenyl butyrate as substrate by dixon plot analysis
50001096	2	ChEMBL_1705938 (CHEMBL4057171)	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by spectrophotometric analysis
50001098	1	ChEMBL_1706506 (CHEMBL4057739)	Inhibition of human CYP2C19 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay
50001098	2	ChEMBL_1706508 (CHEMBL4057741)	Inhibition of human CYP1A1 expressed in HEK293 cells using fluorogenic substrate 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50001098	3	ChEMBL_1706504 (CHEMBL4057737)	Inhibition of human CYP2D6 bound to yeast microsomal membrane using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate after 10 mins by fluorescence assay
50001098	4	ChEMBL_1706505 (CHEMBL4057738)	Inhibition of human CYP2C9 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay
50001098	5	ChEMBL_1706507 (CHEMBL4057740)	Inhibition of human CYP3A4 bound to yeast microsomal membrane using dibenzylfluorescein as substrate after 10 mins by fluorescence assay
50001098	6	ChEMBL_1706498 (CHEMBL4057731)	Inhibition of human CYP1B1 transfected in HEK293 cells assessed as cisplatin EC50 at 6 times IC50 by MTT assay (Rvb = 65 uM)
50001098	7	ChEMBL_1706503 (CHEMBL4057736)	Inhibition of human CYP1A2 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assay
50001098	8	ChEMBL_1706513 (CHEMBL4057746)	Inhibition of human CYP2C19 expressed in HEK293 cells using fluorogenic 3-cyano-7-ethoxycoumarin as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50001098	9	ChEMBL_1706514 (CHEMBL4057747)	Inhibition of human CYP3A4 expressed in HEK293 cells using fluorogenic dibenzylfluorescein as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50001098	10	ChEMBL_1706516 (CHEMBL4057749)	Antagonist activity at human AhR expressed in Saccharomyces cerevisiae W303-1A (ATCC 208352) transformed with an episomal plasmid containing a minimal CYC1 promoter, with a concatemer of five XRE enhancer sequences, linked to eGFP reporter gene and co-expressing ARNT assessed as inhibition of B[a]P agonist induced XRE-driven eGFP expression after 18 hrs by fluorescence assay
50038919	2	ChEMBL_595447 (CHEMBL1045212)	Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay
50038920	1	ChEMBL_595699 (CHEMBL1041762)	Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells
50038920	2	ChEMBL_595697 (CHEMBL1041760)	Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells
50038920	3	ChEMBL_595698 (CHEMBL1041761)	Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells
50038920	4	ChEMBL_595695 (CHEMBL1041758)	Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells
50038920	5	ChEMBL_595700 (CHEMBL1041763)	Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells
50038920	6	ChEMBL_595696 (CHEMBL1041759)	Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells
50038921	2	ChEMBL_586946 (CHEMBL1061133)	Binding constant for BMPR2 kinase domain
50001098	11	ChEMBL_1706510 (CHEMBL4057743)	Inhibition of human CYP1A2 expressed in HEK293 cells using fluorogenic 3-cyano-7-ethoxycoumarin as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50038921	3	ChEMBL_587067 (CHEMBL1051281)	Binding constant for BRAF kinase domain
50001098	12	ChEMBL_1706511 (CHEMBL4057744)	Inhibition of human CYP2D6 expressed in HEK293 cells using fluorogenic 7-ethoxy-methyloxy-3-cyanocoumarin as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50001098	13	ChEMBL_1706512 (CHEMBL4057745)	Inhibition of human CYP2C9 expressed in HEK293 cells using fluorogenic 3-cyano-7-ethoxycoumarin as preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50038921	4	ChEMBL_586825 (CHEMBL1063802)	Binding constant for full-length MARK3
50038921	5	ChEMBL_586974 (CHEMBL1061906)	Binding constant for full-length MEK1
50038921	6	ChEMBL_586459 (CHEMBL1063713)	Binding constant for JNK3 kinase domain
50001098	14	ChEMBL_1706501 (CHEMBL4057734)	Inhibition of human CYP1A1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50001098	15	ChEMBL_1706502 (CHEMBL4057735)	Inhibition of human CYP1B1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assay
50001098	16	ChEMBL_1706509 (CHEMBL4057742)	Inhibition of human CYP1B1 expressed in HEK293 cells using fluorogenic 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50038921	9	ChEMBL_586490 (CHEMBL1051258)	Binding constant for full-length RIOK1
50038921	10	ChEMBL_586357 (CHEMBL1061924)	Binding constant for full-length RIOK3
50038921	11	ChEMBL_586365 (CHEMBL1061931)	Binding constant for TLK1 kinase domain
50038921	12	ChEMBL_586579 (CHEMBL1060200)	Binding constant for MLCK kinase domain
50038921	13	ChEMBL_587180 (CHEMBL1060243)	Binding constant for full-length DYRK1B
50038921	14	ChEMBL_587182 (CHEMBL1037552)	Binding constant for full-length ERK1
50038921	15	ChEMBL_586820 (CHEMBL1063798)	Binding constant for full-length ERK2
50038921	16	ChEMBL_586356 (CHEMBL1061923)	Binding constant for full-length PIP5K1A
50038921	17	ChEMBL_586346 (CHEMBL1061090)	Binding constant for MAPKAPK2 kinase domain
50038921	18	ChEMBL_586972 (CHEMBL1061904)	Binding constant for MAPKAPK5 kinase domain
50038921	19	ChEMBL_587215 (CHEMBL1061159)	Binding constant for PTK6 kinase domain
50038921	20	ChEMBL_586722 (CHEMBL1062868)	Binding constant for RAF1 kinase domain
50038921	21	ChEMBL_586987 (CHEMBL1062777)	Binding constant for GAK kinase domain
50038921	22	ChEMBL_587186 (CHEMBL1060248)	Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain
50001099	1	ChEMBL_1706543 (CHEMBL4057776)	Inhibition of insulin stimulated INSR phosphorylation in human HeLa cells preincubated for 1 hr followed by insulin addition measured after 5 mins by Western blot analysis
50001099	2	ChEMBL_1706542 (CHEMBL4057775)	Inhibition of Axl in human HeLa cells assessed as reduction in AKT phosphorylation at Ser 473 residues pre-incubated for 1 hr before preclustered anti-Axl antibody stimulation by Western blot analysis
50001099	3	ChEMBL_1706544 (CHEMBL4057777)	Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins by Western blot analysis
50001099	4	ChEMBL_1706559 (CHEMBL4057792)	Inhibition of Axl (unknown origin)
50001099	5	ChEMBL_1706545 (CHEMBL4057778)	Inhibition of N-terminal GST-tagged human Axl (464 to 885 end residues) cytoplasmic domain expressed in baculovirus expression system using HS1 peptide as substrate after 40 mins in presence of ATP by fluorescence polarization assay
50038921	26	ChEMBL_587220 (CHEMBL1061984)	Binding constant for TLK2 kinase domain
50038921	27	ChEMBL_586729 (CHEMBL1062874)	Binding constant for TNIK kinase domain
50038921	28	ChEMBL_586690 (CHEMBL1050829)	Binding constant for full-length CSNK1D
50038921	29	ChEMBL_586816 (CHEMBL1050834)	Binding constant for full-length CSNK1E
50038921	30	ChEMBL_586448 (CHEMBL1063704)	Binding constant for full-length CSNK1G2
50038921	31	ChEMBL_587071 (CHEMBL1051284)	Binding constant for full-length CSNK1G3
50038921	32	ChEMBL_586860 (CHEMBL1051355)	Binding constant for TNK2 kinase domain
50038921	33	ChEMBL_586854 (CHEMBL1051349)	Binding constant for full-length PCTK2
50038921	34	ChEMBL_586992 (CHEMBL1062782)	Binding constant for full-length PCTK3
50038921	35	ChEMBL_586355 (CHEMBL1061922)	Binding constant for full-length PDPK1
50038921	36	ChEMBL_586330 (CHEMBL1061075)	Binding constant for IGF1R kinase domain
50038921	37	ChEMBL_586574 (CHEMBL1060195)	Binding constant for INSR kinase domain
50038921	38	ChEMBL_586824 (CHEMBL1063801)	Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain
50038921	39	ChEMBL_586840 (CHEMBL1051335)	Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain
50038921	40	ChEMBL_587179 (CHEMBL1060242)	Binding constant for DMPK2 kinase domain
50038921	41	ChEMBL_586447 (CHEMBL1063703)	Binding constant for full-length CSNK1A1L
50038921	42	ChEMBL_586326 (CHEMBL1061071)	Binding constant for FER kinase domain
50038921	43	ChEMBL_587211 (CHEMBL1061155)	Binding constant for PRKD1 kinase domain
50001100	1	ChEMBL_1706590 (CHEMBL4057823)	Binding affinity to TACE catalytic domain (unknown origin) by FRET assay
50001100	2	ChEMBL_1706570 (CHEMBL4057803)	Inhibition of TACE in human whole blood assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulation for 3.5 hrs by ELISA
50001102	1	ChEMBL_1706606 (CHEMBL4057839)	Inhibition of human GSK-3beta using prephosphorylated-GS1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spectrometric analysis
50038921	46	ChEMBL_587184 (CHEMBL1060246)	Binding constant for FLT4 kinase domain
50038921	47	ChEMBL_586989 (CHEMBL1062779)	Binding constant for full-length PAK3
50038921	48	ChEMBL_586565 (CHEMBL1060188)	Binding constant for DCAMKL3 kinase domain
50001102	2	ChEMBL_1706608 (CHEMBL4057841)	Inhibition of recombinant human CYP1A2
50001102	3	ChEMBL_1706609 (CHEMBL4057842)	Inhibition of recombinant human CYP2D6
50038921	51	ChEMBL_587070 (CHEMBL1037547)	Binding constant for full-length CSK
50038921	52	ChEMBL_587213 (CHEMBL1061157)	Binding constant for full-length PRKX
50001102	4	ChEMBL_1706610 (CHEMBL4057843)	Inhibition of recombinant human CYP3A4
50038921	54	ChEMBL_586455 (CHEMBL1063710)	Binding constant for ERK3 kinase domain
50038921	55	ChEMBL_587185 (CHEMBL1060247)	Binding constant for FRK kinase domain
50038921	56	ChEMBL_586604 (CHEMBL1061183)	Binding constant for full-length p38-gamma
50038921	57	ChEMBL_586488 (CHEMBL1051256)	Binding constant for PRKG2 kinase domain
50038921	58	ChEMBL_586721 (CHEMBL1062867)	Binding constant for PRKR kinase domain
50038921	59	ChEMBL_586826 (CHEMBL1063803)	Binding constant for full-length MELK
50038921	60	ChEMBL_586827 (CHEMBL1063804)	Binding constant for full-length MKNK1
50001103	1	ChEMBL_1706628 (CHEMBL4057861)	Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scintillation spectrometric method
50038921	61	ChEMBL_586855 (CHEMBL1051350)	Binding constant for full-length PFTK1
50038921	62	ChEMBL_587208 (CHEMBL1061153)	Binding constant for full-length PHKG1
50038921	63	ChEMBL_586682 (CHEMBL1062831)	Binding constant for ADCK3 kinase domain
50038921	64	ChEMBL_586821 (CHEMBL1063799)	Binding constant for ERK5 kinase domain
50038921	65	ChEMBL_586571 (CHEMBL1060193)	Binding constant for ERK8 kinase domain
50001103	2	ChEMBL_1706626 (CHEMBL4057859)	Inhibition of recombinant human CYP2D6
50038921	66	ChEMBL_586350 (CHEMBL1061093)	Binding constant for PTK2 kinase domain
50038921	67	ChEMBL_586449 (CHEMBL1044652)	Binding constant for DAPK1 kinase domain
50038921	68	ChEMBL_586564 (CHEMBL1060187)	Binding constant for DAPK3 kinase domain
50038921	69	ChEMBL_586719 (CHEMBL1062865)	Binding constant for PRKCD kinase domain
50038921	70	ChEMBL_586973 (CHEMBL1061905)	Binding constant for MARK1 kinase domain
50038921	71	ChEMBL_586462 (CHEMBL1049903)	Binding constant for MARK2 kinase domain
50038921	72	ChEMBL_587065 (CHEMBL1051279)	Binding constant for AKT1 kinase domain
50038921	73	ChEMBL_587100 (CHEMBL1051311)	Binding constant for PLK1 kinase domain
50001103	3	ChEMBL_1706623 (CHEMBL4057856)	Inhibition of recombinant human CYP3A4
50038921	74	ChEMBL_586349 (CHEMBL1061092)	Binding constant for PLK3 kinase domain
50038921	75	ChEMBL_586486 (CHEMBL1051254)	Binding constant for PRKCE kinase domain
50001103	4	ChEMBL_1706624 (CHEMBL4057857)	Inhibition of CYP1A2 in human liver microsomes
50001103	5	ChEMBL_1706622 (CHEMBL4057855)	Inhibition of CYP3A4 in human liver microsomes
50001103	6	ChEMBL_1706625 (CHEMBL4057858)	Inhibition of recombinant human CYP1A2
50038921	77	ChEMBL_586487 (CHEMBL1051255)	Binding constant for PRKCQ kinase domain
50001103	7	ChEMBL_1706621 (CHEMBL4057854)	Inhibition of CYP2D6 in human liver microsomes
50038921	78	ChEMBL_586477 (CHEMBL1063730)	Binding constant for HCK kinase domain
50038921	79	ChEMBL_587090 (CHEMBL1051302)	Binding constant for MARK4 kinase domain
50001107	1	ChEMBL_1706655 (CHEMBL4057888)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50038921	80	ChEMBL_586988 (CHEMBL1062778)	Binding constant for MEK4 kinase domain
50001107	2	ChEMBL_1706657 (CHEMBL4057890)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50038921	81	ChEMBL_586813 (CHEMBL1063792)	Binding constant for CAMK2D kinase domain
50001107	3	ChEMBL_1706661 (CHEMBL4057894)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50001107	4	ChEMBL_1706662 (CHEMBL4057895)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50001107	5	ChEMBL_1706658 (CHEMBL4057891)	Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50001107	6	ChEMBL_1706659 (CHEMBL4057892)	Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50038921	82	ChEMBL_586956 (CHEMBL1061142)	Binding constant for DRAK1 kinase domain
50038921	83	ChEMBL_587176 (CHEMBL1037551)	Binding constant for full-length CDK5
50038921	84	ChEMBL_586727 (CHEMBL1062872)	Binding constant for SRMS kinase domain
50001107	7	ChEMBL_1706660 (CHEMBL4057893)	Inhibition of Flt3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50001107	8	ChEMBL_1706656 (CHEMBL4057889)	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50038921	85	ChEMBL_586720 (CHEMBL1062866)	Binding constant for PRKD3 kinase domain
50001108	1	ChEMBL_1706669 (CHEMBL4057902)	Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp assay
50001108	2	ChEMBL_1706671 (CHEMBL4057904)	Inhibition of human ERG expressed in CHOK1 cells by whole cell patch clamp method
50001109	1	ChEMBL_1706702 (CHEMBL4057935)	Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay
50001110	1	ChEMBL_1706731 (CHEMBL4057964)	Inhibition of LCK (unknown origin)
50001110	2	ChEMBL_1706714 (CHEMBL4057947)	Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as substrate preincubated for 60 mins followed by substrate addition measured after 120 mins by LANCE TR-FRET assay
50001110	3	ChEMBL_1706733 (CHEMBL4057966)	Inhibition of LYNB (unknown origin)
50038921	87	ChEMBL_586845 (CHEMBL1051340)	Binding constant for PIM3 kinase domain
50038921	88	ChEMBL_587098 (CHEMBL1051309)	Binding constant for PKAC-alpha kinase domain
50038921	89	ChEMBL_587062 (CHEMBL1037546)	Binding constant for AAK1 kinase domain
50038921	90	ChEMBL_587171 (CHEMBL1060235)	Binding constant for ANKK1 kinase domain
50038921	91	ChEMBL_586566 (CHEMBL1050825)	Binding constant for DDR1 kinase domain
50038921	92	ChEMBL_587210 (CHEMBL1060341)	Binding constant for PLK4 kinase domain
50038921	93	ChEMBL_586320 (CHEMBL1060180)	Binding constant for DDR2 kinase domain
50001110	4	ChEMBL_1706721 (CHEMBL4057954)	Inhibition of CSK (unknown origin)
50001110	5	ChEMBL_1706735 (CHEMBL4057968)	Inhibition of PTK6 (unknown origin)
50001110	6	ChEMBL_1706723 (CHEMBL4057956)	Inhibition of ERBB4 (unknown origin)
50001110	7	ChEMBL_1706737 (CHEMBL4057970)	Inhibition of SRC (unknown origin)
50001110	8	ChEMBL_1706725 (CHEMBL4057958)	Inhibition of FGR (unknown origin)
50001110	9	ChEMBL_1706727 (CHEMBL4057960)	Inhibition of FRK (unknown origin)
50001110	10	ChEMBL_1706739 (CHEMBL4057972)	Inhibition of SRMS (unknown origin)
50001110	11	ChEMBL_1706719 (CHEMBL4057952)	Inhibition of BMX (unknown origin)
50001110	12	ChEMBL_1706729 (CHEMBL4057962)	Inhibition of FYN (unknown origin)
50001110	13	ChEMBL_1706717 (CHEMBL4057950)	Inhibition of BLK (unknown origin)
50038921	96	ChEMBL_587218 (CHEMBL1061982)	Binding constant for full-length SNF1LK2
50001110	14	ChEMBL_1706741 (CHEMBL4057974)	Inhibition of TEC (unknown origin)
50038921	97	ChEMBL_587102 (CHEMBL1051313)	Binding constant for full-length SRPK1
50001110	15	ChEMBL_1706745 (CHEMBL4057978)	Inhibition of YES1 (unknown origin)
50001110	16	ChEMBL_1706716 (CHEMBL4057949)	Inhibition of human ERG by [35S]-MK499 displacement or iKr channel assay
50001110	17	ChEMBL_1706715 (CHEMBL4057948)	Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta
50038921	100	ChEMBL_586317 (CHEMBL1060178)	Binding constant for CAMK1G kinase domain
50038921	101	ChEMBL_586686 (CHEMBL1062835)	Binding constant for CAMK2A kinase domain
50038921	102	ChEMBL_586560 (CHEMBL1060183)	Binding constant for CAMK2B kinase domain
50001110	18	ChEMBL_1706743 (CHEMBL4057976)	Inhibition of TXK (unknown origin)
50001111	1	ChEMBL_1706755 (CHEMBL4057988)	Inhibition of COX1 (unknown origin) assessed as reduction in PGE2 level using arachidonic acid as substrate after 5 mins in presence of heme by ELISA
50001111	2	ChEMBL_1706757 (CHEMBL4057990)	Inhibition of 5-LOX in Sprague Dawley rat Leukocytes assessed as reduction in calcium ionophore A23187-induced LTB4 production preincubated for 30 mins followed by calcium ionophore A23187 addition measured after 30 mins by ELISA
50001111	3	ChEMBL_1706756 (CHEMBL4057989)	Inhibition of COX2 (unknown origin) assessed as reduction in PGE2 level using arachidonic acid as substrate after 5 mins in presence of heme by ELISA
50001113	1	ChEMBL_1706832 (CHEMBL4058065)	Antagonist activity at human 5-HT6R expressed in human HeLa cells assessed as inhibition of 5-HT-induced cAMP levels pre-treated for 10 mins before 30 mins stimulation with 5-HT by D2-dye based HTRF assay
50038921	106	ChEMBL_586689 (CHEMBL1062838)	Binding constant for CIT kinase domain
50038921	107	ChEMBL_586953 (CHEMBL1061139)	Binding constant for CLK2 kinase domain
50038921	108	ChEMBL_587175 (CHEMBL1060239)	Binding constant for full-length CAMK1
50038921	109	ChEMBL_586334 (CHEMBL1061078)	Binding constant for LTK kinase domain
50038921	110	ChEMBL_586970 (CHEMBL1037544)	Binding constant for LYN kinase domain
50001113	2	ChEMBL_1706834 (CHEMBL4058067)	Inhibition of human ERG expressed in CHOK1 cells by patch clamp method
50038921	111	ChEMBL_586688 (CHEMBL1062837)	Binding constant for CDK11 kinase domain
50038921	112	ChEMBL_586951 (CHEMBL1061138)	Binding constant for full-length CDK2
50001114	1	ChEBML_1706891	Inhibition of recombinant human N-terminal GST-tagged EGFR (696 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	2	ChEBML_1706892	Inhibition of human C-terminal 6His-tagged Her2 (676 to end) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AAEEEEYFELVAKKK substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50038921	113	ChEMBL_586443 (CHEMBL1043736)	Binding constant for full-length CDK3
50001114	4	ChEMBL_1706896 (CHEMBL4058129)	Inhibition of BLK (unknown origin) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	10	ChEMBL_1706911 (CHEMBL4058144)	Inhibition of recombinant human N-terminal His6-tagged FER (541 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50038921	114	ChEMBL_587075 (CHEMBL1051288)	Binding constant for full-length LKB1
50001114	14	ChEMBL_1706912 (CHEMBL4058145)	Inhibition of RSK1 (unknown origin) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	8	ChEMBL_1706897 (CHEMBL4058130)	Inhibition of recombinant human full length N-terminal His6-tagged YES expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AYQAEENTYDEYEN substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	5	ChEMBL_1706895 (CHEMBL4058128)	Inhibition of recombinant human N-terminal GST-tagged MKK7beta (2 to end residues) expressed in Escherichia coli preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50038921	115	ChEMBL_587069 (CHEMBL1051283)	Binding constant for CDK8 kinase domain
50038921	116	ChEMBL_586684 (CHEMBL1062833)	Binding constant for AURKA kinase domain
50001114	6	ChEMBL_1706898 (CHEMBL4058131)	Inhibition of recombinant human N-terminal His6-tagged FGR (2 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	16	ChEMBL_1706894 (CHEMBL4058127)	Inhibition of recombinant human N-terminal His6-tagged JAK3 (781 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	19	ChEMBL_1706914 (CHEMBL4058147)	Inhibition of human JAK1 expressed in baculovirus in Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	17	ChEMBL_1706893 (CHEMBL4058126)	Inhibition of human N-terminal 6His-tagged HER4 (706 to 991 residues) preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence ATP of fluorescence assay
50001114	11	ChEMBL_1706899 (CHEMBL4058132)	Inhibition of recombinant human full length N-terminal His6-tagged LCK expressed in Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	13	ChEMBL_1706913 (CHEMBL4058146)	Inhibition of recombinant human full length N-terminal His6-tagged SYK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	38	ChEMBL_1706909 (CHEMBL4058142)	Inhibition of recombinant human full length N-terminal GST-tagged CSK expressed in Escherichia coli BL21 (DE3) cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AEEEPQYEEIPIYLELLP substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	37	ChEMBL_1706907 (CHEMBL4058140)	Inhibition of recombinant human N-terminal His6-tagged ABL (27 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	36	ChEMBL_1706908 (CHEMBL4058141)	Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in expressed in Sf21 cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	12	ChEMBL_1706910 (CHEMBL4058143)	Inhibition of recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	29	ChEMBL_1706881 (CHEMBL4058114)	Inhibition of BMX (unknown origin)
50001114	25	ChEMBL_1706889 (CHEMBL4058122)	Inhibition of recombinant human N-terminal His6-tagged TXK (256 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	32	ChEMBL_1706904 (CHEMBL4058137)	Inhibition of recombinant human full length N-terminal His6-tagged FYN expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AYQAEENTYDEYEN substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	35	ChEMBL_1706905 (CHEMBL4058138)	Inhibition of recombinant human full length N-terminal His6-tagged BRK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	9	ChEMBL_1706875 (CHEMBL4058108)	Inhibition of recombinant human N-terminal GST-tagged RET (658 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AAEEEEYFELVAKKK substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	34	ChEMBL_1706906 (CHEMBL4058139)	Inhibition of recombinant human N-terminal His6-tagged RIPK2 (1 to 299 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	33	ChEMBL_1706903 (CHEMBL4058136)	Inhibition of recombinant human N-terminal His6-tagged FRK (218 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	7	ChEMBL_1706876 (CHEMBL4058109)	Inhibition of recombinant human N-terminal His6-tagged PLK1 expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	24	ChEMBL_1706900 (CHEMBL4058133)	Inhibition of recombinant human full length N-terminal His6-tagged SRC expressed in Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	18	ChEMBL_1706915 (CHEMBL4058148)	Inhibition of recombinant human C-terminal His6-tagged JAK2 (808 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	23	ChEMBL_1706886 (CHEMBL4058119)	Inhibition of recombinant human full length N-terminal His6-tagged BMX expressed in Sf21 cells preincubated for 5 mins followed by biotinyl-beta Abeta Abeta AEEEPQYEEIPIYLELLP substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	20	ChEMBL_1706917 (CHEMBL4058150)	Inhibition of human PDGFRalpha expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	22	ChEMBL_1706887 (CHEMBL4058120)	Inhibition of recombinant human full length N-terminal His6-tagged BTK expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by LSNLYHQGKFLQT substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	27	ChEMBL_1706902 (CHEMBL4058135)	Inhibition of recombinant human full length N-terminal His6-tagged LYN expressed in Sf21 insect cells preincubated for 5 mins followed by His-tagged Rb truncated protein substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	30	ChEMBL_1706883 (CHEMBL4058116)	Inhibition of Her2 (unknown origin)
50001114	28	ChEMBL_1706901 (CHEMBL4058134)	Inhibition of recombinant human N-terminal His6-tagged HCK (230 to 497 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	26	ChEMBL_1706888 (CHEMBL4058121)	Inhibition of recombinant human N-terminal His6-tagged TEC (174 to end residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by Ulight-TK peptide substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	31	ChEMBL_1706882 (CHEMBL4058115)	Inhibition of EGFR (unknown origin)
50001114	15	ChEMBL_1706890 (CHEMBL4058123)	Inhibition of recombinant human N-terminal His6-tagged ITK (352 to 617 residues) expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by Ulight-TK peptide substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001114	21	ChEMBL_1706916 (CHEMBL4058149)	Inhibition of recombinant human full length N-terminal His6-tagged NEK2 expressed in baculovirus Sf21 insect cells preincubated for 5 mins followed by substrate addition after 30 to 60 mins in presence of ATP by fluorescence assay
50001115	1	ChEMBL_1707001 (CHEMBL4058234)	Agonist activity at MOR/KOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 5 mins
50001115	2	ChEMBL_1706997 (CHEMBL4058230)	Displacement of [3H]-DPDPE from DOR in rat brain membranes by liquid scintillation counting analysis
50001115	3	ChEMBL_1706998 (CHEMBL4058231)	Displacement of [3H]-(+)-U69,593 from KOR in guinea pig brain membranes by liquid scintillation counting analysis
50038921	118	ChEMBL_586817 (CHEMBL1063795)	Binding constant for DCAMKL2 kinase domain
50038921	119	ChEMBL_586814 (CHEMBL1063793)	Binding constant for CAMKK2 kinase domain
50038921	120	ChEMBL_587183 (CHEMBL1060245)	Binding constant for ERK4 kinase domain
50038921	121	ChEMBL_586858 (CHEMBL1051353)	Binding constant for STK16 kinase domain
50001115	4	ChEMBL_1706996 (CHEMBL4058229)	Displacement of [3H]-DAMGO from MOR in rat brain membranes by liquid scintillation counting analysis
50038921	122	ChEMBL_586728 (CHEMBL1062873)	Binding constant for STK36 kinase domain
50001116	1	ChEMBL_1707014 (CHEMBL4058247)	Binding affinity myocilin-OLF domain (unknown origin) by Sypro Orange dye-based DSF assay
50001116	2	ChEMBL_1707012 (CHEMBL4058245)	Binding affinity myocilin-OLF domain (unknown origin) by SRP assay
50038921	123	ChEMBL_586450 (CHEMBL1063705)	Binding constant for DCAMKL1 kinase domain
50038921	124	ChEMBL_586460 (CHEMBL1063714)	Binding constant for full-length LIMK2
50038921	125	ChEMBL_586994 (CHEMBL1062784)	Binding constant for full-length PIP5K2B
50038921	126	ChEMBL_586997 (CHEMBL1037545)	Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain
50001118	1	ChEMBL_1707016 (CHEMBL4058249)	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay
50038921	127	ChEMBL_586359 (CHEMBL1039275)	Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain
50001118	2	ChEMBL_1707017 (CHEMBL4058250)	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay
50001120	1	ChEMBL_1707020 (CHEMBL4058253)	Agonist activity at recombinant human TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for 5 mins by Fluo4-AM dye-based fluorescence assay
50001120	2	ChEMBL_1707019 (CHEMBL4058252)	Agonist activity at full length recombinant human TRPM8 expressed in HEK293 cells assessed as increase in intracellular Ca2+ level pre-incubated for 5 mins by Fluo4-AM dye-based fluorescence assay
50038921	128	ChEMBL_586331 (CHEMBL1057717)	Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domain
50038921	129	ChEMBL_586327 (CHEMBL1061072)	Binding constant for FES kinase domain
50038921	130	ChEMBL_586692 (CHEMBL1062840)	Binding constant for FGFR1 kinase domain
50038921	131	ChEMBL_586606 (CHEMBL1061184)	Binding constant for PIM2 kinase domain
50038921	132	ChEMBL_587191 (CHEMBL1060252)	Binding constant for NDR2 kinase domain
50001121	1	ChEMBL_1707029 (CHEMBL4058262)	Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 1 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay
50001121	2	ChEMBL_1707039 (CHEMBL4058272)	Binding affinity to human DNA-tagged TAF1L bromodomain 2 (1523 to 1654 residues) expressed in bacterial expression system by BROMOscan assay
50001121	3	ChEMBL_1707038 (CHEMBL4058271)	Binding affinity to human DNA-tagged TAF1 bromodomain 2 (1521 to 1656 residues) expressed in bacterial expression system by BROMOscan assay
50001121	4	ChEMBL_1707030 (CHEMBL4058263)	Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD9 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay
50038921	134	ChEMBL_586857 (CHEMBL1051352)	Binding constant for SgK085 kinase domain
50038921	135	ChEMBL_586998 (CHEMBL1062787)	Binding constant for SLK kinase domain
50038921	136	ChEMBL_586456 (CHEMBL1048161)	Binding constant for FGFR2 kinase domain
50038921	137	ChEMBL_586822 (CHEMBL1063800)	Binding constant for FGFR4 kinase domain
50001121	5	ChEMBL_1707032 (CHEMBL4058265)	Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay
50001121	6	ChEMBL_1707035 (CHEMBL4058268)	Binding affinity to ZsGreen fused-CECR2 bromodomain (M404 to H515 residues) (unknown origin) expressed in human U2OS-C433 cells co expressing (MDPKKKRKVDPKKRKVDPKKKRKV) assessed as induction of protein bromodomain localization from chromatin by measuring formation of large nuclear puncta by fluorescence based assay
50001121	7	ChEMBL_1707033 (CHEMBL4058266)	Inhibition of recombinant human N-terminal His6-FLAG-tagged TAF1 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay
50038921	138	ChEMBL_587103 (CHEMBL1037550)	Binding constant for TESK1 kinase domain
50038921	139	ChEMBL_586695 (CHEMBL1062843)	Binding constant for LATS1 kinase domain
50001121	8	ChEMBL_1707037 (CHEMBL4058270)	Binding affinity to human DNA-tagged BRD7 (125 to 254 residues) expressed in mammalian expression system by BROMOscan assay
50001121	9	ChEMBL_1707036 (CHEMBL4058269)	Binding affinity to human DNA-tagged BRD9 isoform 1 (130 to 259 residues) expressed in bacterial expression system by BROMOscan assay
50038921	141	ChEMBL_586693 (CHEMBL1062841)	Binding constant for FGFR3(G697C) kinase domain
50001121	10	ChEMBL_1707031 (CHEMBL4058264)	Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay
50038921	142	ChEMBL_587066 (CHEMBL1051280)	Binding constant for AKT3 kinase domain
50038921	143	ChEMBL_586945 (CHEMBL1050837)	Binding constant for ALK kinase domain
50038921	144	ChEMBL_586333 (CHEMBL1061077)	Binding constant for KIT(V559D) kinase domain
50038921	145	ChEMBL_586478 (CHEMBL1063731)	Binding constant for MET kinase domain
50038921	146	ChEMBL_586697 (CHEMBL1050830)	Binding constant for MKNK2 kinase domain
50038921	147	ChEMBL_586561 (CHEMBL1060184)	Binding constant for CDC2L1 kinase domain
50038921	148	ChEMBL_586950 (CHEMBL1061137)	Binding constant for CAMK2G kinase domain
50038921	149	ChEMBL_586608 (CHEMBL1061186)	Binding constant for SYK kinase domain
50038921	150	ChEMBL_586363 (CHEMBL1061929)	Binding constant for TEC kinase domain
50038921	151	ChEMBL_586362 (CHEMBL1061928)	Binding constant for full-length SRPK2
50038921	152	ChEMBL_586832 (CHEMBL1063808)	Binding constant for full-length NEK7
50038921	153	ChEMBL_586943 (CHEMBL1061131)	Binding constant for ABL2 kinase domain
50038921	154	ChEMBL_586440 (CHEMBL1063697)	Binding constant for ACVR1 kinase domain
50001123	1	ChEMBL_1707130 (CHEMBL4058363)	Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay
50038921	155	ChEMBL_586683 (CHEMBL1062832)	Binding constant for AKT2 kinase domain
50001123	2	ChEMBL_1707129 (CHEMBL4058362)	Inhibition of ATX in human plasma using LPC as substrate pretreated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analysis
50001123	3	ChEMBL_1707131 (CHEMBL4058364)	Inhibition of recombinant human ATX beta expressed in HEK293 cells using LPC as substrate measured after 30 mins by LC-MS/MS analysis
50038921	156	ChEMBL_586446 (CHEMBL1063702)	Binding constant for CSF1R kinase domain
50001123	4	ChEMBL_1707132 (CHEMBL4058365)	Inhibition of recombinant human ATX beta expressed in HEK293 cells using FS-3 as substrate pretreated for 15 mins followed by substrate addition measured after 30 mins
50038921	157	ChEMBL_586952 (CHEMBL1050838)	Binding constant for full-length CLK1
50038921	158	ChEMBL_587177 (CHEMBL1060240)	Binding constant for full-length CLK3
50038921	159	ChEMBL_586316 (CHEMBL1060177)	Binding constant for ARK5 kinase domain
50038921	161	ChEMBL_587187 (CHEMBL1060249)	Binding constant for LATS2 kinase domain
50038921	162	ChEMBL_586823 (CHEMBL1050835)	Binding constant for full-length IKK-epsilon
50038921	163	ChEMBL_586332 (CHEMBL1061076)	Binding constant for full-length JNK1
50038921	164	ChEMBL_586318 (CHEMBL1060179)	Binding constant for CAMK4 kinase domain
50038921	165	ChEMBL_586687 (CHEMBL1062836)	Binding constant for CAMKK1 kinase domain
50038921	166	ChEMBL_587091 (CHEMBL1051303)	Binding constant for PCTK1 kinase domain
50038921	167	ChEMBL_586993 (CHEMBL1062783)	Binding constant for PDGFRA kinase domain
50038921	168	ChEMBL_587092 (CHEMBL1051304)	Binding constant for PDGFRB kinase domain
50038921	169	ChEMBL_586563 (CHEMBL1060186)	Binding constant for CSNK1G1 kinase domain
50001125	1	ChEMBL_1707150 (CHEMBL4058383)	Inhibition of AChE (unknown origin) using acetylthiocholine as substrate by Ellman's method
50038921	170	ChEMBL_586575 (CHEMBL1060196)	Binding constant for full-length JNK2
50038921	171	ChEMBL_586969 (CHEMBL1061902)	Binding constant for full-length LIMK1
50001125	2	ChEMBL_1707151 (CHEMBL4058384)	Inhibition of human PDE5A preincubated for 30 mins followed by TMB substrate addition by spectrophotometry
50038921	172	ChEMBL_586322 (CHEMBL1060182)	Binding constant for EGFR kinase domain
50001126	1	ChEBML_1707177	Displacement of [3H]-ifenprodil from NR2B in Wistar rat brain membrane after 120 mins by liquid scintillation counting analysis
50038921	174	ChEMBL_586314 (CHEMBL1060175)	Binding constant for AMPK-alpha1 kinase domain
50038921	175	ChEMBL_586696 (CHEMBL1062844)	Binding constant for MAP3K4 kinase domain
50038921	176	ChEMBL_586315 (CHEMBL1060176)	Binding constant for AMPK-alpha2 kinase domain
50038921	177	ChEMBL_586445 (CHEMBL1063701)	Binding constant for full-length CDK9
50001126	2	ChEBML_1707178	Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracellular Ca2+ levels measured after 1 day post induction by Fluo-3/AM dye-based fluorescence assay
50038921	178	ChEMBL_587076 (CHEMBL1037548)	Binding constant for MAP4K4 kinase domain
50038921	179	ChEMBL_586971 (CHEMBL1061903)	Binding constant for MAP4K5 kinase domain
50038921	180	ChEMBL_586599 (CHEMBL1061178)	Binding constant for full-length MST1
50038921	181	ChEMBL_586842 (CHEMBL1051337)	Binding constant for LCK kinase domain
50001126	3	ChEMBL_1707177 (CHEMBL4058410)	Displacement of [3H]-ifenprodil from NR2B in Wistar rat brain membrane after 120 mins by liquid scintillation counting analysis
50001126	4	ChEMBL_1707178 (CHEMBL4058411)	Antagonist activity at mouse NR2B expressed in Hek293 cells co-expressing mouse NR1 assessed as inhibition of glutamic acid/glycine-induced intracellular Ca2+ levels measured after 1 day post induction by Fluo-3/AM dye-based fluorescence assay
50001128	1	ChEMBL_1707211 (CHEMBL4058444)	Displacement of [3H]-DHT from recombinant human androgen receptor expressed in CHO cells
50001128	2	ChEMBL_1707197 (CHEMBL4058430)	Displacement of fluormone-AL Green from recombinant rat His-tagged/GST-fused androgen receptor LBD expressed in baculovirus expression system measured after 1.5 hrs by fluorescence polarization assay
50001128	3	ChEMBL_1707209 (CHEMBL4058442)	Inhibition of recombinant human 5alpha-reductase type1 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs followed by substrate addition measured after 90 mins by reverse-phase HPLC method
50001128	4	ChEMBL_1707210 (CHEMBL4058443)	Inhibition of recombinant human 5alpha-reductase type2 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs followed by substrate addition by reverse-phase HPLC method
50001129	1	ChEMBL_1707304 (CHEMBL4058537)	Inhibition of LRRK2 (unknown origin) by HTRF assay
50038921	184	ChEMBL_586458 (CHEMBL1063712)	Binding constant for ITK kinase domain
50038921	185	ChEMBL_587199 (CHEMBL1060260)	Binding constant for PIK3CA kinase domain
50001129	2	ChEMBL_1707320 (CHEMBL4058553)	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate in presence of [gamma-33P]-ATP
50001129	3	ChEMBL_1707321 (CHEMBL4058554)	Inhibition of human MSSK1 GRSRSRSRSR as substrate in presence of [gamma-33P]-ATP
50001130	1	ChEMBL_1707330 (CHEMBL4058563)	Inhibition of recombinant human N-terminal His-tagged USP2 catalytic domain (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using human N-terminal GST-tagged UBA52 as substrate pretreated for 10 mins followed by substrate addition after 60 mins by coomassie staining based assay
50001131	1	ChEMBL_1707357 (CHEMBL4058590)	Displacement of [3H]CHA from A1 receptor in bovine cortical membrane
50038921	186	ChEMBL_587097 (CHEMBL1051308)	Binding constant for PIM1 kinase domain
50038921	187	ChEMBL_586581 (CHEMBL1061160)	Binding constant for MYLK2 kinase domain
50038921	188	ChEMBL_586336 (CHEMBL1061080)	Binding constant for MYO3A kinase domain
50001131	2	ChEMBL_1707355 (CHEMBL4058588)	Displacement of [3H]-NECA from A2A receptor in rat striatal membrane in presence of A1 receptor agonist N6-cyclopentyladenosine
50038921	189	ChEMBL_587198 (CHEMBL1060259)	Binding constant for MYO3B kinase domain
50038921	190	ChEMBL_586596 (CHEMBL1061175)	Binding constant for INSRR kinase domain
50001131	3	ChEMBL_1707354 (CHEMBL4058587)	Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane
50038921	192	ChEMBL_587063 (CHEMBL1051277)	Binding constant for ABL1(T315I) kinase domain
50001131	4	ChEMBL_1707353 (CHEMBL4058586)	Displacement of [3H]-DPCPX from A1 receptor in rat whole brain membrane assessed as effect on GTP shift in presence of 100 uM GTP
50001132	1	ChEMBL_1707360 (CHEMBL4058593)	Inhibition of Tdp1 (unknown origin) using 5'-(6-TAMN-AGGATCTAAAAGACTT-BHQ-)3' as substrate pretreated for 30 mins followed by substrate addition by fluorescence assay
50001133	1	ChEMBL_1707370 (CHEMBL4058603)	Inhibition of Halo-tagged histone H3.3 binding to NanoLuc luciferase conjugated human CBP expressed in HEK293 cells after overnight incubation by BRET assay
50001133	2	ChEMBL_1707430 (CHEMBL4058663)	Inhibition of CYP2D6 (unknown origin)
50001133	3	ChEMBL_1707368 (CHEMBL4058601)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD4 bromodomain-1 measured after 10 mins by TR-FRET assay
50001133	4	ChEMBL_1707367 (CHEMBL4058600)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CBP measured after 10 mins by TR-FRET assay
50038921	194	ChEMBL_586313 (CHEMBL1057608)	Binding constant for ACVR2B kinase domain
50038921	195	ChEMBL_586811 (CHEMBL1063790)	Binding constant for ACVRL1 kinase domain
50001133	5	ChEMBL_1707383 (CHEMBL4058616)	Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged TAF1 bromodomain-2 (unknown origin) measured after 10 mins by TR-FRET assay
50001133	6	ChEMBL_1707382 (CHEMBL4058615)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged TAF1 bromodomain-1 measured after 10 mins by TR-FRET assay
50038921	196	ChEMBL_586598 (CHEMBL1061177)	Binding constant for MLK2 kinase domain
50001133	7	ChEMBL_1707381 (CHEMBL4058614)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged PCAF measured after 10 mins by TR-FRET assay
50038921	197	ChEMBL_586580 (CHEMBL1050827)	Binding constant for MLK3 kinase domain
50001133	8	ChEMBL_1707380 (CHEMBL4058613)	Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged human GCN5L2 measured after 10 mins by TR-FRET assay
50038921	198	ChEMBL_587190 (CHEMBL1060251)	Binding constant for MRCKA kinase domain
50001133	9	ChEMBL_1707379 (CHEMBL4058612)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged CECR2 measured after 10 mins by TR-FRET assay
50001133	10	ChEMBL_1707378 (CHEMBL4058611)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRPF1 measured after 10 mins by TR-FRET assay
50001133	11	ChEMBL_1707377 (CHEMBL4058610)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD9 measured after 10 mins by TR-FRET assay
50001133	12	ChEMBL_1707376 (CHEMBL4058609)	Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BRD8 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay
50001133	13	ChEMBL_1707375 (CHEMBL4058608)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BRD4 bromodomain-2 measured after 10 mins by TR-FRET assay
50001133	14	ChEMBL_1707374 (CHEMBL4058607)	Displacement of biotinylated histone H3K14 peptide ligand from recombinant His-tagged BPTF (unknown origin) measured after 10 mins by TR-FRET assay
50001133	15	ChEMBL_1707373 (CHEMBL4058606)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged BAZ2B measured after 10 mins by TR-FRET assay
50001133	16	ChEMBL_1707372 (CHEMBL4058605)	Displacement of biotinylated histone H3K14 peptide ligand from human recombinant His-tagged P300 measured after 10 mins by TR-FRET assay
50001133	17	ChEMBL_1707371 (CHEMBL4058604)	Inhibition of CBP in human MV-4-11 cells assessed as decrease in MYC expression incubated for 4 hrs measured by luminescence method
50038921	199	ChEMBL_586699 (CHEMBL1062846)	Binding constant for NEK1 kinase domain
50038921	200	ChEMBL_586831 (CHEMBL1063807)	Binding constant for NEK2 kinase domain
50038921	201	ChEMBL_587000 (CHEMBL1062789)	Binding constant for YANK3 kinase domain
50038921	202	ChEMBL_586494 (CHEMBL1051262)	Binding constant for YES kinase domain
50038921	203	ChEMBL_587095 (CHEMBL1051307)	Binding constant for PAK4 kinase domain
50038921	204	ChEMBL_586354 (CHEMBL1061921)	Binding constant for PAK6 kinase domain
50038921	205	ChEMBL_586609 (CHEMBL1061187)	Binding constant for TXK kinase domain
50001133	18	ChEMBL_1707428 (CHEMBL4058661)	Inhibition of CYP2C9 (unknown origin)
50001133	19	ChEMBL_1707427 (CHEMBL4058660)	Inhibition of CYP3A4 (unknown origin)
50001133	20	ChEMBL_1707429 (CHEMBL4058662)	Inhibition of CYP2C19 (unknown origin)
50001133	21	ChEMBL_1707426 (CHEMBL4058659)	Inhibition of CYP1A2 (unknown origin)
50001133	22	ChEMBL_1707419 (CHEMBL4058652)	Inhibition of CBP in human PBMC derived naive CD4-positive T cells assessed as decrease in FOXP3 mRNA level in Treg cells measured after 4 days by quantitative reverse transcriptase-PCR method
50038921	206	ChEMBL_586492 (CHEMBL1051260)	Binding constant for TYRO3 kinase domain
50038921	207	ChEMBL_586610 (CHEMBL1061188)	Binding constant for TYK2(Kin.Dom.2/JH1 - catalytic) kinase domain
50001134	1	ChEMBL_1707515 (CHEMBL4058748)	Binding affinity to ferrous form of human recombinant IDO-1
50001134	2	ChEMBL_1707508 (CHEMBL4058741)	Inhibition of CYP3A4 (unknown origin)
50001134	3	ChEMBL_1707507 (CHEMBL4058740)	Inhibition of CYP2D6 (unknown origin)
50001134	4	ChEMBL_1707506 (CHEMBL4058739)	Inhibition of CYP2C19 (unknown origin)
50001134	5	ChEMBL_1707505 (CHEMBL4058738)	Inhibition of CYP2C9 (unknown origin)
50001134	6	ChEMBL_1707504 (CHEMBL4058737)	Inhibition of CYP1A2 (unknown origin)
50001134	7	ChEMBL_1707498 (CHEMBL4058731)	Inhibition of human recombinant IDO-1 using L-Trp as substrate after 15 mins by PDMAB-based assay
50038921	209	ChEMBL_586367 (CHEMBL1061933)	Binding constant for TRKA kinase domain
50038921	210	ChEMBL_586730 (CHEMBL1062875)	Binding constant for TRKB kinase domain
50038921	211	ChEMBL_586995 (CHEMBL1062785)	Binding constant for RPS6KA1(Kin.Dom.2 - C-terminal) kinase domain
50001134	8	ChEMBL_1707525 (CHEMBL4058758)	Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human whole blood assessed as decrease in kynurenine production after 24 hrs by LC-MS/MS method
50001134	9	ChEMBL_1707524 (CHEMBL4058757)	Inhibition of IDO-1 in IFN-gamma/LPS-stimulated human THP1 cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB method
50001134	10	ChEMBL_1707523 (CHEMBL4058756)	Inhibition of IDO-1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine production after 16 to 24 hrs by PDMAB method
50001134	11	ChEMBL_1707520 (CHEMBL4058753)	Inhibition of mouse IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS method
50001134	12	ChEMBL_1707519 (CHEMBL4058752)	Inhibition of human recombinant IDO-1 using tryptophan as substrate after 22 mins by LC-MS/MS method
50038921	212	ChEMBL_587173 (CHEMBL1060237)	Binding constant for AXL kinase domain
50001134	13	ChEMBL_1707518 (CHEMBL4058751)	Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen and presence of tryptophan
50001134	14	ChEMBL_1707517 (CHEMBL4058750)	Binding affinity to ferric form of human recombinant IDO-1 in absence of oxygen
50038921	213	ChEMBL_587064 (CHEMBL1051278)	Binding constant for ACVR1B kinase domain
50001134	15	ChEMBL_1707516 (CHEMBL4058749)	Binding affinity to ferric form of human recombinant IDO-1
50038921	214	ChEMBL_586368 (CHEMBL1041998)	Binding constant for TRKC kinase domain
50038921	215	ChEMBL_586441 (CHEMBL1063698)	Binding constant for BIKE kinase domain
50038921	216	ChEMBL_586463 (CHEMBL1063716)	Binding constant for MLK1 kinase domain
50001134	16	ChEMBL_1707522 (CHEMBL4058755)	Inhibition of human TDO2 using tryptophan as substrate after 22 mins by LC-MS/MS method
50038921	217	ChEMBL_586812 (CHEMBL1063791)	Binding constant for BLK kinase domain
50038921	218	ChEMBL_587170 (CHEMBL1060234)	Binding constant for ACVR2A kinase domain
50038921	219	ChEMBL_586319 (CHEMBL1053760)	Binding constant for full-length DAPK2
50038921	221	ChEMBL_586495 (CHEMBL1051263)	Binding constant for YSK1 kinase domain
50038921	222	ChEMBL_587107 (CHEMBL1051317)	Binding constant for ZAK kinase domain
50038921	223	ChEMBL_587074 (CHEMBL1051287)	Binding constant for EPHA2 kinase domain
50038921	224	ChEMBL_586960 (CHEMBL1061145)	Binding constant for EPHA3 kinase domain
50038921	225	ChEMBL_586595 (CHEMBL1061174)	Binding constant for FLT1 kinase domain
50001134	17	ChEMBL_1707614 (CHEMBL4058847)	Inhibition of BCRP (unknown origin) transfected in MDCK cells assessed as decrease in pitavastatin transport
50001136	1	ChEMBL_1707628 (CHEMBL4058861)	Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contraction by measuring urotensin-2 pEC50 at 10'-5M preincubated for 15 mins followed by urotensin-2 addition (Rvb = 8.61 +/- 0.05 No_unit)
50001136	2	ChEMBL_1707632 (CHEMBL4058865)	Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by measuring URP pEC50 at 10'-5M preincubated for 15 mins followed by URP addition (Rvb = 8.09 +/- 0.03 No_unit)
50038921	228	ChEMBL_586369 (CHEMBL1061934)	Binding constant for TTK kinase domain
50038921	229	ChEMBL_586493 (CHEMBL1051261)	Binding constant for VEGFR2 kinase domain
50038921	230	ChEMBL_586370 (CHEMBL1061935)	Binding constant for WEE1 kinase domain
50038921	231	ChEMBL_586442 (CHEMBL1063699)	Binding constant for BMPR1A kinase domain
50001136	3	ChEMBL_1707633 (CHEMBL4058866)	Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by measuring URP pEC50 at 1 uM preincubated for 15 mins followed by URP addition (Rvb = 8.09 +/- 0.03 No_unit)
50001136	4	ChEMBL_1707644 (CHEMBL4058877)	Allosteric modulation of human urotensin-2 receptor expressed in HEK293 cells assessed as change in URP-induced G12 activation by measuring URP pEC50 at 10'-5 M preincubated for 30 mins followed by URP addition by BRET assay (Rvb = 6.75 +/- 0.19 No_unit)
50038921	232	ChEMBL_586996 (CHEMBL1062786)	Binding constant for RPS6KA2(Kin.Dom.2 - C-terminal) kinase domain
50001136	5	ChEMBL_1707638 (CHEMBL4058871)	Allosteric modulation of human urotensin-2 receptor expressed in HEK293 cells assessed as change in human urotensin-2-induced Gq activation by measuring urotensin-2 pEC50 at 10'-5 M preincubated for 30 mins followed by urotensin-2 addition by BRET assay (Rvb = 7.88 +/- 0.07 No_unit)
50001136	6	ChEMBL_1707640 (CHEMBL4058873)	Allosteric modulation of human urotensin-2 receptor expressed in HEK293 cells assessed as change in URP-induced Gq activation by measuring URP pEC50 at 10'-5 M preincubated for 30 mins followed by URP addition by BRET assay (Rvb = 8.28 +/- 0.08 No_unit)
50001136	7	ChEMBL_1707642 (CHEMBL4058875)	Allosteric modulation of human urotensin-2 receptor expressed in HEK293 cells assessed as change in human urotensin-2-induced G12 activation by measuring urotensin-2 pEC50 at 10'-5 M preincubated for 30 mins followed by urotensin-2 addition by BRET assay (Rvb = 6.31 +/- 0.17 No_unit)
50038921	234	ChEMBL_586967 (CHEMBL1061900)	Binding constant for full-length GSK3A
50038921	235	ChEMBL_586329 (CHEMBL1061074)	Binding constant for full-length GSK3B
50001136	8	ChEMBL_1707629 (CHEMBL4058862)	Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contraction by measuring urotensin-2 pEC50 at 1 uM preincubated for 15 mins followed by urotensin-2 addition (Rvb = 8.61 +/- 0.05 No_unit)
50001137	1	ChEMBL_1707813 (CHEMBL4059046)	Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction with single-strand Bi-AU RNA probe by AlphaScreen assay
50038921	237	ChEMBL_586723 (CHEMBL1062869)	Binding constant for RIPK1 kinase domain
50038921	238	ChEMBL_587101 (CHEMBL1051312)	Binding constant for RIPK2 kinase domain
50001137	2	ChEMBL_1707811 (CHEMBL4059044)	Binding affinity to human full length recombinant HuR expressed in Escherichia coli Rosetta DH5alpha measured for 30 mins by DMR analysis
50038921	239	ChEMBL_586964 (CHEMBL1050840)	Binding constant for FGR kinase domain
50001138	1	ChEBML_1707951	Antagonist activity at mouse CXCR4
50001138	2	ChEBML_1707937	Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addition after 45 mins by fluorescence analysis
50001138	3	ChEBML_1707938	Inhibition of CYP3A4 (unknown origin)
50001138	9	ChEMBL_1707937 (CHEMBL4059170)	Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addition after 45 mins by fluorescence analysis
50001138	10	ChEMBL_1707946 (CHEMBL4059179)	Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of Ca2+ flux measured for 90 secs by calcium dye-based fluorescence assay
50038921	240	ChEMBL_586959 (CHEMBL1061144)	Binding constant for EPHA1 kinase domain
50001138	4	ChEMBL_1707933 (CHEMBL4059166)	Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
50038921	241	ChEMBL_587189 (CHEMBL1037553)	Binding constant for MERTK kinase domain
50001138	11	ChEMBL_1707938 (CHEMBL4059171)	Inhibition of CYP3A4 (unknown origin)
50001138	12	ChEMBL_1707940 (CHEMBL4059173)	Inhibition of CYP2C19 (unknown origin)
50001138	13	ChEMBL_1707942 (CHEMBL4059175)	Inhibition of CYP2C9 (unknown origin)
50038921	236	ChEMBL_586328 (CHEMBL1061073)	Binding constant for FLT3(N841I) kinase domain
50038921	242	ChEMBL_586961 (CHEMBL1061895)	Binding constant for EPHA4 kinase domain
50038921	243	ChEMBL_586324 (CHEMBL1061069)	Binding constant for EPHA5 kinase domain
50038921	244	ChEMBL_586853 (CHEMBL1051348)	Binding constant for PAK7/PAK5 kinase domain
50001138	5	ChEBML_1707940	Inhibition of CYP2C19 (unknown origin)
50001138	6	ChEBML_1707941	Inhibition of CYP2C8 (unknown origin)
50038921	245	ChEMBL_587077 (CHEMBL1051289)	Binding constant for MEK6 kinase domain
50001138	7	ChEBML_1707942	Inhibition of CYP2C9 (unknown origin)
50038921	246	ChEMBL_586358 (CHEMBL1061925)	Binding constant for ROS1 kinase domain
50001138	8	ChEBML_1707933	Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
50038921	247	ChEMBL_587078 (CHEMBL1051290)	Binding constant for MRCKB kinase domain
50038921	248	ChEMBL_586444 (CHEMBL1063700)	Binding constant for full-length CDK7
50038921	249	ChEMBL_586725 (CHEMBL1062871)	Binding constant for SNARK kinase domain
50038921	250	ChEMBL_586726 (CHEMBL1050832)	Binding constant for SNF1LK kinase domain
50038921	251	ChEMBL_586361 (CHEMBL1061927)	Binding constant for SRC kinase domain
50038921	252	ChEMBL_586578 (CHEMBL1060199)	Binding constant for MAP3K5 kinase domain
50001138	14	ChEMBL_1707941 (CHEMBL4059174)	Inhibition of CYP2C8 (unknown origin)
50001140	1	ChEMBL_1707966 (CHEMBL4059199)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	2	ChEMBL_1707965 (CHEMBL4059198)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	3	ChEMBL_1707964 (CHEMBL4059197)	Inhibition of human FLT1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	4	ChEMBL_1707962 (CHEMBL4059195)	Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	5	ChEMBL_1707961 (CHEMBL4059194)	Inhibition of human CDK4/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	6	ChEMBL_1707954 (CHEMBL4059187)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	7	ChEMBL_1707952 (CHEMBL4059185)	Inhibition of human CDK2/Cyclin A1 using histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50038921	254	ChEMBL_586597 (CHEMBL1061176)	Binding constant for MAP4K1 kinase domain
50038921	255	ChEMBL_586717 (CHEMBL1062864)	Binding constant for full-length p38-beta
50038921	256	ChEMBL_586453 (CHEMBL1063708)	Binding constant for EPHA8 kinase domain
50038921	257	ChEMBL_586569 (CHEMBL1060191)	Binding constant for EPHB1 kinase domain
50038921	258	ChEMBL_586454 (CHEMBL1063709)	Binding constant for EPHB2 kinase domain
50038921	259	ChEMBL_586364 (CHEMBL1061930)	Binding constant for TIE1 kinase domain
50038921	261	ChEMBL_587106 (CHEMBL1051316)	Binding constant for full-length TSSK1
50038921	262	ChEMBL_587221 (CHEMBL1061985)	Binding constant for full-length YANK2
50038921	263	ChEMBL_586944 (CHEMBL1061132)	Binding constant for full-length ADCK4
50038921	264	ChEMBL_587172 (CHEMBL1060236)	Binding constant for full-length AURKC
50038921	265	ChEMBL_586947 (CHEMBL1061134)	Binding constant for full-length BMX
50001140	8	ChEMBL_1707963 (CHEMBL4059196)	Inhibition of human CDK9/Cyclin K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50001140	9	ChEMBL_1707967 (CHEMBL4059200)	Inhibition of human CDK1/Cyclin E using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins by filter binding method
50038921	266	ChEMBL_586948 (CHEMBL1061135)	Binding constant for BRSK1 kinase domain
50038921	267	ChEMBL_586559 (CHEMBL1052133)	Binding constant for CAMK1D kinase domain
50038921	268	ChEMBL_587209 (CHEMBL1061154)	Binding constant for PKMYT1 kinase domain
50038921	269	ChEMBL_586611 (CHEMBL1061189)	Binding constant for ZAP70 kinase domain
50001142	10	ChEMBL_1708051 (CHEMBL4059284)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50001142	11	ChEMBL_1708052 (CHEMBL4059285)	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50001142	12	ChEMBL_1708053 (CHEMBL4059286)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50001142	13	ChEMBL_1708057 (CHEMBL4059290)	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to 90 secs by FMP assay
50001142	4	ChEMBL_1708060 (CHEMBL4059293)	Agonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing Ric-3/NACHO assessed as induction of calcium mobilization measured up to 90 secs in presence of PNU-120596 by FLIPR assay
50001142	14	ChEMBL_1708059 (CHEMBL4059292)	Antagonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing Ric-3/NACHO assessed as inhibition of ACh-induced calcium mobilization measured up to 90 secs in presence of PNU-120596 by FLIPR assay
50001142	9	ChEMBL_1708058 (CHEMBL4059291)	Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to 90 secs by FMP assay
50038921	270	ChEMBL_586348 (CHEMBL1039274)	Binding constant for full-length PKAC-beta
50038921	271	ChEMBL_587214 (CHEMBL1061158)	Binding constant for full-length PTK2B
50038921	272	ChEMBL_586325 (CHEMBL1061070)	Binding constant for EPHB3 kinase domain
50038921	273	ChEMBL_586570 (CHEMBL1060192)	Binding constant for EPHB4 kinase domain
50038921	274	ChEMBL_586815 (CHEMBL1063794)	Binding constant for CDC2L2 kinase domain
50038921	275	ChEMBL_586337 (CHEMBL1061081)	Binding constant for NEK9 kinase domain
50038921	276	ChEMBL_586484 (CHEMBL1063737)	Binding constant for PAK1 kinase domain
50038921	277	ChEMBL_586843 (CHEMBL1051338)	Binding constant for LOK kinase domain
50038921	278	ChEMBL_586461 (CHEMBL1063715)	Binding constant for MAP4K3 kinase domain
50038921	279	ChEMBL_586962 (CHEMBL1061896)	Binding constant for ERBB2 kinase domain
50038921	280	ChEMBL_586963 (CHEMBL1061897)	Binding constant for ERBB4 kinase domain
50038921	281	ChEMBL_586949 (CHEMBL1061136)	Binding constant for full-length BRSK2
50038921	282	ChEMBL_587174 (CHEMBL1060238)	Binding constant for full-length BTK
50001142	5	ChEBML_1708071	Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human SH-EP1 cell membranes after 75 mins by liquid scintillation spectrometry
50001142	3	ChEBML_1708053	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50038921	283	ChEMBL_586605 (CHEMBL1050828)	Binding constant for PAK2 kinase domain
50038921	284	ChEMBL_586700 (CHEMBL1062847)	Binding constant for NEK5 kinase domain
50038921	285	ChEMBL_586711 (CHEMBL1062858)	Binding constant for NEK6 kinase domain
50001142	2	ChEBML_1708052	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50038921	286	ChEMBL_586954 (CHEMBL1061140)	Binding constant for CLK4 kinase domain
50038921	288	ChEMBL_586485 (CHEMBL1051253)	Binding constant for PKN1 kinase domain
50038921	289	ChEMBL_587099 (CHEMBL1051310)	Binding constant for PKN2 kinase domain
50038921	290	ChEMBL_586833 (CHEMBL1063809)	Binding constant for full-length NLK
50001142	7	ChEBML_1708059	Antagonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing Ric-3/NACHO assessed as inhibition of ACh-induced calcium mobilization measured up to 90 secs in presence of PNU-120596 by FLIPR assay
50038921	291	ChEMBL_586347 (CHEMBL1061091)	Binding constant for full-length p38-alpha
50038921	292	ChEMBL_587178 (CHEMBL1060241)	Binding constant for full-length CSNK2A1
50001142	6	ChEBML_1708051	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method
50038921	294	ChEMBL_586489 (CHEMBL1051257)	Binding constant for RET(M918T) kinase domain
50038921	295	ChEMBL_586335 (CHEMBL1061079)	Binding constant for full-length MEK2
50038921	296	ChEMBL_587188 (CHEMBL1060250)	Binding constant for full-length MEK3
50038921	297	ChEMBL_586829 (CHEMBL1063806)	Binding constant for full-length MST4
50001142	8	ChEBML_1708057	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to 90 secs by FMP assay
50038921	298	ChEMBL_586844 (CHEMBL1051339)	Binding constant for MUSK kinase domain
50038921	299	ChEMBL_586830 (CHEMBL1050836)	Binding constant for MYLK kinase domain
50001142	15	ChEMBL_1708071 (CHEMBL4059304)	Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human SH-EP1 cell membranes after 75 mins by liquid scintillation spectrometry
50038921	300	ChEMBL_586724 (CHEMBL1062870)	Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain
50001143	1	ChEMBL_1708072 (CHEMBL4059305)	Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells
50001143	2	ChEMBL_1708087 (CHEMBL4059320)	Inhibition of human ABL
50001143	3	ChEMBL_1708086 (CHEMBL4059319)	Inhibition of human LYN
50001143	4	ChEMBL_1708084 (CHEMBL4059317)	Inhibition of human RET
50001143	5	ChEMBL_1708083 (CHEMBL4059316)	Inhibition of human PDGFRalpha
50038921	303	ChEMBL_586567 (CHEMBL1060189)	Binding constant for full-length DRAK2
50001143	6	ChEMBL_1708085 (CHEMBL4059318)	Inhibition of human KIT
50001143	7	ChEMBL_1708082 (CHEMBL4059315)	Inhibition of human KDR cytoplasmic domain (807 to 1356 residues) after 60 mins by TR-FRET assay
50001144	1	ChEMBL_1708168 (CHEMBL4059401)	Inhibition of human CathA-IRES-6His-tagged NEU1 expressed in HEK293T cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50001144	2	ChEMBL_1708166 (CHEMBL4059399)	Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50038921	304	ChEMBL_586491 (CHEMBL1051259)	Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain
50001144	3	ChEMBL_1708165 (CHEMBL4059398)	Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50038921	305	ChEMBL_587181 (CHEMBL1060244)	Binding constant for EPHA6 kinase domain
50038921	306	ChEMBL_586452 (CHEMBL1063707)	Binding constant for EPHA7 kinase domain
50001144	4	ChEMBL_1708167 (CHEMBL4059400)	Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50038921	307	ChEMBL_587104 (CHEMBL1051314)	Binding constant for TGFBR1 kinase domain
50038921	308	ChEMBL_586859 (CHEMBL1051354)	Binding constant for TGFBR2 kinase domain
50001144	5	ChEMBL_1708163 (CHEMBL4059396)	Inhibition of human N-terminal MBP-fused NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every minute for 30 mins by fluorescence based assay
50038921	309	ChEMBL_586966 (CHEMBL1061899)	Binding constant for FYN kinase domain
50001144	6	ChEMBL_1708162 (CHEMBL4059395)	Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every minute for 30 mins by fluorescence based assay
50038921	310	ChEMBL_586955 (CHEMBL1061141)	Binding constant for full-length CSNK2A2
50001144	7	ChEMBL_1708161 (CHEMBL4059394)	Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every minute for 30 mins by fluorescence based assay
50001144	8	ChEMBL_1708160 (CHEMBL4059393)	Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50001144	9	ChEMBL_1708159 (CHEMBL4059392)	Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50001145	1	ChEMBL_1708182 (CHEMBL4059415)	Inhibition of recombinant human MIF tautomerase activity using 4-HPP as substrate preincubated for 15 mins followed by substrate addition measured after 360 secs
50001146	1	ChEMBL_1708207 (CHEMBL4059440)	Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assay
50001146	2	ChEMBL_1708206 (CHEMBL4059439)	Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assay
50001146	3	ChEMBL_1708203 (CHEMBL4059436)	Binding affinity to human N-terminal 6His-tagged HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21star/Rosetta2 (DE3) at 298 K by ITC assay
50001147	1	ChEMBL_1708474 (CHEMBL4118523)	Inhibition of TAK1 (unknown origin) by LanthaScreen assay
50001147	2	ChEMBL_1708489 (CHEMBL4118538)	Inhibition of TAK1 (unknown origin) after 60 mins by biochemical assay
50001147	3	ChEMBL_1708481 (CHEMBL4118530)	Inhibition of FLT3 (unknown origin)
50001150	1	ChEMBL_1709118 (CHEMBL4119167)	Binding affinity to CDK2 (unknown origin) by surface plasmon resonance analysis
50001151	1	ChEMBL_1709125 (CHEMBL4119174)	Inhibition of ascorbic acid/methylene blue activated recombinant human IDO expressed in Escherichia coli using L-Tryptophan as substrate after 60 mins by spectrophotometric method
50001152	1	ChEBML_1709226	Inhibition of recombinant Ruminococcus obeum ATCC 29174 alpha-glucosidase expressed in Escherichia coli BL21(DE3) using p-nitrophenyl-alpha-D-glucopyranoside as substrate pretreated for 10 mins followed by substrate addition measured after 3 hrs
50001152	2	ChEMBL_1709226 (CHEMBL4119275)	Inhibition of recombinant Ruminococcus obeum ATCC 29174 alpha-glucosidase expressed in Escherichia coli BL21(DE3) using p-nitrophenyl-alpha-D-glucopyranoside as substrate pretreated for 10 mins followed by substrate addition measured after 3 hrs
50001155	1	ChEMBL_1709232 (CHEMBL4119281)	Inhibition of human erythrocyte AChE using S-acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured every 30 secs for 1 hr by Ellman's method
50038921	311	ChEMBL_587105 (CHEMBL1051315)	Binding constant for TIE2 kinase domain
50038921	312	ChEMBL_586828 (CHEMBL1063805)	Binding constant for MST2 kinase domain
50038921	313	ChEMBL_586698 (CHEMBL1062845)	Binding constant for MST3 kinase domain
50001156	1	ChEMBL_1709243 (CHEMBL4119292)	Inhibition of human erythrocyte 20s proteasome chymotrypsin-like activity using Suc-LLVY-MCA as substrate pretreated for 10 mins followed by substrate addition measured after 3 hrs by spectrophotometric method
50038921	314	ChEMBL_586999 (CHEMBL1062788)	Binding constant for full-length TNK1
50001156	2	ChEMBL_1709244 (CHEMBL4119293)	Inhibition of human erythrocyte 20s proteasome trypsin-like activity using Boc-LRR-MCA as substrate pretreated for 10 mins followed by substrate addition measured after 3 hrs by spectrophotometric method
50001156	3	ChEMBL_1709245 (CHEMBL4119294)	Inhibition of human erythrocyte 20s proteasome caspase-like activity using Z-LLE-MCA as substrate pretreated for 10 mins followed by substrate addition measured after 3 hrs by spectrophotometric method
50038921	315	ChEMBL_586366 (CHEMBL1061932)	Binding constant for full-length TNNI3K
50001157	1	ChEMBL_1709264 (CHEMBL4119313)	Inhibition of Staphylococcus aureus ATCC 6538p SortA expressed in Escherichia coli using Dabcyl-QALPETGEE-Edans as substrate after 1 hr by fluorescence spectrophotometric method
50001158	1	ChEMBL_1709342 (CHEMBL4119391)	Inhibition of recombinant human full length MMP9 preincubated for 1 hr followed by gelatin addition measured after 18 hrs by SDS-PAGE analysis
50001158	2	ChEMBL_1709347 (CHEMBL4119396)	Binding affinity to human full length MMP9 by CD spectral analysis
50001154	4	ChEMBL_1709400 (CHEMBL4119449)	Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition measured for 10 mins by FRET method
50038921	316	ChEMBL_587219 (CHEMBL1061983)	Binding constant for full-length STK33
50038921	317	ChEMBL_587096 (CHEMBL1037549)	Binding constant for PHKG2 kinase domain
50038922	1	ChEMBL_587471 (CHEMBL1042192)	Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesis
50038923	1	ChEMBL_588496 (CHEMBL1041236)	Inhibition of human recombinant AChE in erythrocytes by Ellman's assay
50038923	2	ChEMBL_588497 (CHEMBL1041237)	Inhibition of human recombinant BuChE by Ellman's assay
50038924	1	ChEMBL_587741 (CHEMBL1038577)	Inhibition of human recombinant CA1 by stopped-flow CO2 assay
50038924	2	ChEMBL_587742 (CHEMBL1038578)	Inhibition of human recombinant CA2 by stopped-flow CO2 assay
50038924	3	ChEMBL_587743 (CHEMBL1038579)	Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay
50038925	1	ChEMBL_587770 (CHEMBL1040421)	Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium release preincubated 30 mins before UTP challenge by fluorescence assay
50038925	2	ChEMBL_587771 (CHEMBL1040422)	Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 3 uM UTP-induced intracellular calcium release preincubated 30 mins before UTP challenge by fluorescence assay
50038927	1	ChEMBL_587777 (CHEMBL1040428)	Displacement of [3H]WIN-35428 from DAT
50038927	2	ChEMBL_587778 (CHEMBL1040429)	Displacement of [3H]paroxetine from 5-HTT
50038927	3	ChEMBL_587779 (CHEMBL1040430)	Displacement of [3H]nisoxetine from NET
50038928	1	ChEMBL_588077 (CHEMBL1041329)	Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells by liquid scintillation counting
50038928	2	ChEMBL_588078 (CHEMBL1041330)	Agonist activity at dopamine D1 receptor
50038928	3	ChEMBL_588079 (CHEMBL1041331)	Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cells by liquid scintillation counting
50038928	5	ChEMBL_588083 (CHEMBL1043963)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liquid scintillation counting
50038928	7	ChEMBL_588089 (CHEMBL1044815)	Antagonist activity at dopamine D1 receptor expressed in HEK293 cells by by [35S]GTPgammaS binding assay in presence of SKF-38393
50038928	8	ChEMBL_588091 (CHEMBL1044817)	Agonist activity at dopamine D2 receptor expressed in HEK293 cells by by [35S]GTPgammaS binding assay
50038928	9	ChEMBL_588092 (CHEMBL1044818)	Antagonist activity at dopamine D2 receptor expressed in HEK293 cells by by [35S]GTPgammaS binding assay in presence of quinpirole
50038928	10	ChEMBL_588094 (CHEMBL1044820)	Agonist activity at 5HT1A receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50038929	1	ChEMBL_588142 (CHEMBL1049259)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells
50038929	2	ChEMBL_588141 (CHEMBL1049258)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells
50038930	1	ChEMBL_591827 (CHEMBL1042376)	Inhibition of human ERG by patch-clamp assay
50038931	1	ChEMBL_592049 (CHEMBL1050164)	Inhibition of human ERG
50038931	2	ChEMBL_592052 (CHEMBL1050167)	Inhibition of CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50038931	3	ChEMBL_592053 (CHEMBL1036858)	Inhibition of CYP3A4 using 7-benzyloxy-resorufin as substrate
50038931	4	ChEMBL_592054 (CHEMBL1036859)	Inhibition of CYP2C19
50038931	5	ChEMBL_592055 (CHEMBL1036860)	Inhibition of CYP2C9
50038931	6	ChEMBL_592056 (CHEMBL1036861)	Inhibition of CYP2D6
50038931	7	ChEMBL_592057 (CHEMBL1036862)	Inhibition of CYP1A2
50038931	8	ChEMBL_592018 (CHEMBL1050133)	Inhibition of Akt phosphorylation in mouse Sal cells by Western blotting
50038931	9	ChEMBL_592017 (CHEMBL1050132)	Inhibition of IGF1R phosphorylation in mouse Sal cells by Western blotting
50038931	10	ChEMBL_591853 (CHEMBL1045057)	Inhibition of IGF1R after 60 mins by fluorescence electrophoresis
50038931	11	ChEMBL_592015 (CHEMBL1050130)	Inhibition of CDK2/Cyclin E after 60 mins by fluorescence electrophoresis
50038932	1	ChEMBL_590267 (CHEMBL1052802)	Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50038932	2	ChEMBL_590268 (CHEMBL1052803)	Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50038932	3	ChEMBL_590269 (CHEMBL1052804)	Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50038932	4	ChEMBL_590264 (CHEMBL1052799)	Displacement of [3H]Arg8-vasopressin from rat vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50038932	5	ChEMBL_590270 (CHEMBL1052805)	Displacement of [3H]Arg8-vasopressin from human vasopressin V2 receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50038932	6	ChEMBL_590266 (CHEMBL1052801)	Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter
50001160	1	ChEMBL_1709451 (CHEMBL4119500)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis
50001160	2	ChEMBL_1709450 (CHEMBL4119499)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis
50001160	3	ChEMBL_1709452 (CHEMBL4119501)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis
50001160	4	ChEMBL_1709453 (CHEMBL4119502)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis
50001160	5	ChEMBL_1709454 (CHEMBL4119503)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC/MS/MS analysis
50038933	2	ChEMBL_590791 (CHEMBL1037629)	Activity at PPARalpha
50038934	1	ChEMBL_591059 (CHEMBL1052812)	Antagonist activity at human recombinant GluR6 expressed in HEK cells coexpressing aequorine assessed as inhibition of glutamate-induced Ca2+ influx at 10 uM by luminescence reporter assay
50038934	2	ChEMBL_591060 (CHEMBL1052813)	Agonist activity at recombinant GluR5
50038934	3	ChEMBL_591061 (CHEMBL1052814)	Agonist activity at recombinant GluR6
50038934	4	ChEMBL_591056 (CHEMBL1052809)	Antagonist activity at human recombinant GluR5 expressed in HEK cells coexpressing aequorine assessed as inhibition of glutamate-induced Ca2+ influx by luminescence reporter assay
50038935	1	ChEMBL_591400 (CHEMBL1054520)	Inhibition of human CYP2D6
50038935	2	ChEMBL_591401 (CHEMBL1054521)	Inhibition of human CYP3A4
50038935	3	ChEMBL_591402 (CHEMBL1054522)	Inhibition of CYP3A4 in pooled human liver microsome
50038935	4	ChEMBL_591408 (CHEMBL1054528)	Inhibition of human ERG expressed in HEK cells
50038935	5	ChEMBL_591117 (CHEMBL1053596)	Inhibition of human recombinant HER4 expressed in Sf9 cells by liquid scintillation counting
50038935	6	ChEMBL_591397 (CHEMBL1054517)	Inhibition of human CYP1A2
50038935	7	ChEMBL_591398 (CHEMBL1054518)	Inhibition of human CYP2C9
50038935	8	ChEMBL_591399 (CHEMBL1054519)	Inhibition of human CYP2C19
50038935	9	ChEMBL_591075 (CHEMBL1052828)	Inhibition of human recombinant HER2 expressed in Sf9 cells by liquid scintillation counting
50038935	10	ChEMBL_591074 (CHEMBL1052827)	Inhibition of human recombinant HER1 expressed in Sf9 cells by liquid scintillation counting
50038936	1	ChEMBL_591410 (CHEMBL1054530)	Agonist activity at motilin receptor in rabbit smooth muscle assessed as maximal possible tissue contraction
50038936	2	ChEMBL_591415 (CHEMBL1054535)	Inhibition of human ERG expressed in HEK cells
50038937	1	ChEMBL_591458 (CHEMBL1052905)	Inhibition of human ERG
50038937	2	ChEMBL_591456 (CHEMBL1055308)	Inhibition of DAT
50038937	5	ChEMBL_591455 (CHEMBL1055307)	Inhibition of NET
50001161	1	ChEMBL_1709461 (CHEMBL4119510)	Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as inhibition of serotonin-induced calcium mobilization preincubated for 25 mins followed by serotonin induction measured for 30 secs by aequorin-derived luminescence assay
50001161	2	ChEMBL_1709460 (CHEMBL4119509)	Agonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as increase in calcium mobilization measured for 30 secs by aequorin-derived luminescence assay
50038937	7	ChEMBL_591457 (CHEMBL1055309)	Inhibition of CYP2D6
50001161	3	ChEMBL_1709457 (CHEMBL4119506)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method
50001161	4	ChEMBL_1709458 (CHEMBL4119507)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method
50038937	8	ChEMBL_591454 (CHEMBL1055306)	Inhibition of SERT
50038937	6	ChEMBL_591452 (CHEMBL1055304)	Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assay
50038938	1	ChEMBL_591859 (CHEMBL1045063)	Activity at human recombinant ERalpha by fluorescence polarization assay
50038938	2	ChEMBL_591860 (CHEMBL1045064)	Activity at human recombinant ERbeta by fluorescence polarization assay
50038939	1	ChEMBL_592384 (CHEMBL1036957)	Inhibition of human cloned CA1 by stopped flow CO2 hydration assay
50038939	2	ChEMBL_592385 (CHEMBL1036958)	Inhibition of human cloned CA2 by stopped flow CO2 hydration assay
50038939	3	ChEMBL_592386 (CHEMBL1036959)	Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay
50038939	4	ChEMBL_592387 (CHEMBL1036960)	Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay
50038940	1	ChEMBL_592443 (CHEMBL1039634)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex
50038940	2	ChEMBL_592442 (CHEMBL1039633)	Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus
50038940	3	ChEMBL_592418 (CHEMBL1037804)	Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate
50038940	4	ChEMBL_592444 (CHEMBL1039635)	Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum
50038940	5	ChEMBL_592446 (CHEMBL1039637)	Displacement of [3H]RX821002 from adrenergic alpha2 receptor in rat cortex
50038940	6	ChEMBL_592447 (CHEMBL1039638)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum
50038940	7	ChEMBL_592448 (CHEMBL1039639)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum
50038940	8	ChEMBL_592421 (CHEMBL1037807)	Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by noncompetitive binding assay
50038940	9	ChEMBL_592420 (CHEMBL1037806)	Intrinsic activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency relative to serotonin
50038940	10	ChEMBL_592419 (CHEMBL1037805)	Agonist activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency
50001161	5	ChEMBL_1709462 (CHEMBL4119511)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat hippocampus membranes after 10 mins by liquid scintillation counting method
50001162	1	ChEMBL_1709483 (CHEMBL4119532)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by Ellman's method
50001162	2	ChEMBL_1709484 (CHEMBL4119533)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by Ellman's method
50038942	1	ChEMBL_588696 (CHEMBL1059305)	Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay
50038942	2	ChEMBL_588702 (CHEMBL1059311)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain
50038942	3	ChEMBL_588703 (CHEMBL1059312)	Binding affinity to sigma 1 receptor in rat C6 cells
50038942	4	ChEMBL_588700 (CHEMBL1059309)	Displacement of [3H](+/-)-pentazocine from sigma 1 receptor in rat whole brain
50038942	5	ChEMBL_588694 (CHEMBL1056845)	Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol) from sigma 1 receptor in Dunkin guinea pig brain membrane by radioreceptor binding assay
50038943	1	ChEMBL_588935 (CHEMBL1063850)	Inhibition of human recombinant CA1 by stopped-flow hydration assay
50038943	2	ChEMBL_588927 (CHEMBL1063842)	Inhibition of human recombinant CA2 by stopped-flow hydration assay
50038943	3	ChEMBL_588928 (CHEMBL1063843)	Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay
50038944	1	ChEMBL_588944 (CHEMBL1063859)	Inhibition of recombinant CDK2/cyclin A
50038944	2	ChEMBL_588945 (CHEMBL1063860)	Inhibition of recombinant CDK2/cyclin E
50038945	1	ChEMBL_589116 (CHEMBL1038469)	Inhibition of Ixodes ricinus asparaginyl endopeptidases
50038946	1	ChEMBL_589179 (CHEMBL1040330)	Inhibition of GST-tagged c-Met expressed in Sf9 cells
50038946	2	ChEMBL_589181 (CHEMBL1040332)	Inhibition of TPR-Met assessed as autophosphorylation
50038946	3	ChEMBL_589345 (CHEMBL1047340)	Inhibition of c-Met in human A549 cells by wound healing assay
50038946	4	ChEMBL_589346 (CHEMBL1047341)	Inhibition of c-Met in human DU145 cells assessed as cell scattering
50038947	2	ChEMBL_589395 (CHEMBL1047390)	Inhibition of HDAC8
50038947	3	ChEMBL_589397 (CHEMBL1047392)	Inhibition of HDAC6
50038949	1	ChEMBL_589622 (CHEMBL1052175)	Inhibition of human integrin alpha2b beta3 receptor by fibrinogen competitive binding assay
50038950	1	ChEMBL_592837 (CHEMBL1045780)	Inhibition of human plasma BChE by Ellman's method
50038950	2	ChEMBL_592838 (CHEMBL1045781)	Inhibition of human recombinant AChE by Ellman's method
50038951	1	ChEMBL_593420 (CHEMBL1040548)	Inhibition of CDK1/cyclin B expressed in M phase starfish oocyte
50038951	2	ChEMBL_593419 (CHEMBL1040547)	Inhibition of GSK3-beta expressed in insect Sf9 cells
50038951	3	ChEMBL_593422 (CHEMBL1040550)	Inhibition of CDK1/cyclin B
50038951	4	ChEMBL_593421 (CHEMBL1040549)	Inhibition of GSK3-beta
50038951	5	ChEMBL_593431 (CHEMBL1041437)	Inhibition of mitochondrial malate dehydrogenase by spectrophotometry
50038952	1	ChEMBL_593678 (CHEMBL1044131)	Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA by spectrophotometry
50038952	2	ChEMBL_593679 (CHEMBL1044132)	Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA by Lineweaver-Burke plot analysis
50038953	1	ChEMBL_593847 (CHEMBL1049319)	Inhibition of Agrobacterium tumefaciens TraR
50038953	2	ChEMBL_593848 (CHEMBL1049320)	Inhibition of Pseudomonas aeruginosa LasR
50038954	1	ChEMBL_592751 (CHEMBL1043242)	Agonist activity at human TGR5 expressed in CHO cells assessed as increase in CRE-driven gene expression by luciferase reporter gene assay
50038955	1	ChEMBL_592883 (CHEMBL1046628)	Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assay
50038955	2	ChEMBL_592884 (CHEMBL1046629)	Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assay
50038955	3	ChEMBL_592885 (CHEMBL1046630)	Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay
50038955	4	ChEMBL_592886 (CHEMBL1046631)	Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assay
50038955	5	ChEMBL_592887 (CHEMBL1046632)	Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assay
50038955	6	ChEMBL_592888 (CHEMBL1046633)	Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assay
50038955	7	ChEMBL_592889 (CHEMBL1046634)	Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assay
50038955	8	ChEMBL_592890 (CHEMBL1046635)	Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay
50038955	9	ChEMBL_592891 (CHEMBL1046636)	Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assay
50038955	10	ChEMBL_592892 (CHEMBL1046637)	Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assay
50038955	11	ChEMBL_592893 (CHEMBL1048396)	Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay
50038955	12	ChEMBL_592894 (CHEMBL1048397)	Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assay
50038955	13	ChEMBL_592895 (CHEMBL1048398)	Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assay
50038956	1	ChEMBL_592900 (CHEMBL1048403)	Inhibition of human recombinant GSK3-beta at 1 uM by ATP competitive assay
50038956	2	ChEMBL_592897 (CHEMBL1048400)	Inhibition of human recombinant GSK3-beta
50038956	3	ChEMBL_592898 (CHEMBL1048401)	Inhibition of human CDK2/Cyclin A by ELISA
50038957	1	ChEMBL_592934 (CHEMBL1049273)	Inhibition of GST P1-1 in human HL60 cell lysate
50038958	1	ChEMBL_590886 (CHEMBL1042996)	Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spectrophotometry
50038958	2	ChEMBL_590887 (CHEMBL1042997)	Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry
50038958	3	ChEMBL_590888 (CHEMBL1042998)	Inhibition of indoleamine 2,3-dioxygenase in mouse B16 cells assessed as kynurenine formation by spectrophotometry
50038958	4	ChEMBL_590891 (CHEMBL1043001)	Inhibition of tryptophan 2,3-dioxygenase
50038959	1	ChEMBL_591960 (CHEMBL1047523)	Displacement of [3H]DTBZ from VMAT2 dihydrotetrabenazine binding site in rat brain synaptic vesicle by scintillation counting
50038959	2	ChEMBL_591961 (CHEMBL1047524)	Inhibition of [3H]dopamine uptake at VMAT2 in rat brain synaptic vesicle by liquid scintillation spectroscopy
50001163	1	ChEMBL_1709496 (CHEMBL4119545)	Displacement of [3H]NMS from recombinant human muscarinic M2 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting method
50038960	1	ChEMBL_592301 (CHEMBL1046676)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells after 120 mins
50038961	1	ChEMBL_592474 (CHEMBL1043190)	Inhibition of Pseudomonas aeruginosa ExsA binding to DNA
50038962	1	ChEMBL_588750 (CHEMBL1053697)	Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid
50038963	1	ChEMBL_589475 (CHEMBL1053623)	Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2X preincubated for 1 hr before addition of substrate (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid
50038963	2	ChEMBL_589476 (CHEMBL1053624)	Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2X preincubated for 4 hrs before addition of substrate (R)-[2-(benzoylamino)propionylsulfanyl]acetic acid
50038964	1	ChEMBL_589733 (CHEMBL1061237)	Binding affinity to 5HT1A receptor
50038965	1	ChEMBL_598706 (CHEMBL1050787)	Inhibition of ovine COX1 by enzyme immunoassay
50038965	2	ChEMBL_598707 (CHEMBL1050788)	Inhibition of human recombinant COX2 by enzyme immunoassay
50001163	2	ChEMBL_1709495 (CHEMBL4119544)	Displacement of [3H]NMS from recombinant human muscarinic M1 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting method
50001163	3	ChEMBL_1709497 (CHEMBL4119546)	Displacement of [3H]NMS from recombinant human muscarinic M3 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting method
50001163	4	ChEMBL_1709498 (CHEMBL4119547)	Displacement of [3H]NMS from recombinant human muscarinic M4 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting method
50001163	5	ChEMBL_1709499 (CHEMBL4119548)	Displacement of [3H]NMS from recombinant human muscarinic M5 receptor expressed in CHOK1 cell membranes after 120 mins by scintillation counting method
50038967	1	ChEMBL_598016 (CHEMBL1046285)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from human intestinal brush border membrane NPC1L1 by single tube filtration assay
50038967	4	ChEMBL_598015 (CHEMBL1046284)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from rat intestinal brush border membrane NPC1L1 by single tube filtration assay
50038967	5	ChEMBL_598107 (CHEMBL1038289)	Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoazetidin-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid from recombinant mouse NPC1L1 expressed in HEK cells by single tube filtration assay
50038968	1	ChEMBL_598343 (CHEMBL1041717)	Inhibition of recombinant human PTP1B assessed as hydrolysis of p-nitrophenyl phosphate after 30 mins
50038969	1	ChEMBL_598555 (CHEMBL1043547)	Inhibition of MMP-2
50038969	2	ChEMBL_598554 (CHEMBL1043546)	Inhibition of ADAM-10
50038969	3	ChEMBL_598553 (CHEMBL1043545)	Inhibition of HER-2
50038969	4	ChEMBL_598556 (CHEMBL1043548)	Inhibition of MMP-1
50038969	5	ChEMBL_598557 (CHEMBL1043549)	Inhibition of MMP-3
50038969	6	ChEMBL_598558 (CHEMBL1043550)	Inhibition of MMP-9
50038970	1	ChEMBL_598563 (CHEMBL1043555)	Agonistic activity against mouse MC1R
50038970	2	ChEMBL_598564 (CHEMBL1043556)	Agonistic activity against mouse MC3R
50038970	3	ChEMBL_598565 (CHEMBL1043557)	Agonistic activity against mouse MC4R
50038970	4	ChEMBL_598566 (CHEMBL1043558)	Agonistic activity against mouse MC5R
50038970	5	ChEMBL_598567 (CHEMBL1043559)	Agonistic activity against human MC1R
50038971	1	ChEMBL_598850 (CHEMBL1044682)	Inhibition of human CYP2C9
50038972	1	ChEMBL_599550 (CHEMBL1038360)	Inhibition of Jak1
50038972	2	ChEMBL_599551 (CHEMBL1038361)	Inhibition of Jak2
50038972	3	ChEMBL_599552 (CHEMBL1038362)	Inhibition of Jak3
50038972	4	ChEMBL_599553 (CHEMBL1038363)	Inhibition of PEK
50038972	5	ChEMBL_599554 (CHEMBL1038364)	Inhibition of TYK2
50038972	6	ChEMBL_599555 (CHEMBL1038365)	Inhibition of PKR
50038972	11	ChEMBL_599543 (CHEMBL1037538)	Inhibition of human Pyk2 by HTRF assay
50038972	12	ChEMBL_599544 (CHEMBL1037539)	Inhibition of human FAK by HTRF assay
50038973	1	ChEMBL_599730 (CHEMBL1048174)	Inhibition of human cloned full length carbonic anhydrase 2 by stopped flow CO2 hydration assay
50038973	2	ChEMBL_599731 (CHEMBL1048175)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by stopped flow CO2 hydration assay
50038973	3	ChEMBL_599732 (CHEMBL1048176)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay
50038974	1	ChEMBL_600479 (CHEMBL1046426)	Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry
50038975	1	ChEMBL_597858 (CHEMBL1039121)	Displacement of [125I]MCH from human MCH1R expressed in CHO cells
50038975	2	ChEMBL_597859 (CHEMBL1039122)	Displacement of [35S]MK-499 from human ERG expressed in HEK293 cells
50038975	3	ChEMBL_597869 (CHEMBL1039132)	Inhibition of rat MCH1R receptor
50038975	4	ChEMBL_597870 (CHEMBL1039133)	Inhibition of mouse MCH1R receptor
50038975	5	ChEMBL_597871 (CHEMBL1039134)	Antagonist activity against human MCH1R receptor expressed in CHO cells assessed as inhibition of MCH-induced calcium mobilization by FLIPR
50038975	6	ChEMBL_597872 (CHEMBL1039135)	Inhibition of human MCH2R
50038976	1	ChEMBL_598030 (CHEMBL1046299)	Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay
50038976	2	ChEMBL_598031 (CHEMBL1046300)	Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins
50038977	1	ChEMBL_598656 (CHEMBL1048159)	Binding affinity to human mu opioid receptor
50038977	2	ChEMBL_598657 (CHEMBL1048160)	Agonist activity at human recombinant 5-HT4 receptor
50038977	3	ChEMBL_598658 (CHEMBL1048984)	Antagonist activity at human recombinant 5-HT3 receptor expressed in HEK293 cells
50038977	4	ChEMBL_598654 (CHEMBL1048157)	Displacement of [3H]granisetron from human recombinant 5-HT3 receptor expressed in HEK293 cells
50038977	5	ChEMBL_598655 (CHEMBL1048158)	Displacement of [3H]GR-113808 from human recombinant 5-HT4 receptor
50038978	1	ChEMBL_598670 (CHEMBL1048996)	Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation after 30 mins by scintillation proximity assay
50038978	2	ChEMBL_598674 (CHEMBL1050755)	Agonist activity at GIPR
50038978	3	ChEMBL_598675 (CHEMBL1050756)	Agonist activity at glucagon receptor
50038978	4	ChEMBL_598678 (CHEMBL1050759)	Agonist activity at PTHR
50038978	5	ChEMBL_598679 (CHEMBL1050760)	Agonist activity at mouse GLP1R expressed in CHO cells assessed as stimulation of intracellular [3H]cAMP accumulation by scintillation proximity assay
50038979	1	ChEMBL_599136 (CHEMBL1047191)	Inhibition of PKCtheta in C57BL/6 mouse T cells assessed as inhibition of anti-CD3 and anti-CD28-induced IL2 production after 20 to 24 hrs by ELISA
50038979	2	ChEMBL_599153 (CHEMBL1047208)	Inhibition of CYP3A4
50038979	3	ChEMBL_599152 (CHEMBL1047207)	Inhibition of CYP2D6
50038979	4	ChEMBL_599151 (CHEMBL1047206)	Inhibition of CYP2C19
50038979	5	ChEMBL_599150 (CHEMBL1047205)	Inhibition of CYP2C9
50038979	6	ChEMBL_599149 (CHEMBL1047204)	Inhibition of CYP1A2
50038979	7	ChEMBL_599128 (CHEMBL1047183)	Inhibition of human PKCtheta by IMAP fluorescence polarization technology
50038979	8	ChEMBL_599129 (CHEMBL1047184)	Inhibition of PKCdelta by IMAP fluorescence polarization technology
50038979	9	ChEMBL_599138 (CHEMBL1047193)	Inhibition of PKCbeta by IMAP fluorescence polarization technology
50038979	10	ChEMBL_599139 (CHEMBL1047194)	Inhibition of PKCepsilon by IMAP fluorescence polarization technology
50038979	12	ChEMBL_599141 (CHEMBL1047196)	Inhibition of PKCzeta by IMAP fluorescence polarization technology
50038979	13	ChEMBL_599142 (CHEMBL1047197)	Inhibition of MK2
50038979	14	ChEMBL_599146 (CHEMBL1047201)	Inhibition of ROCK1
50038979	15	ChEMBL_599154 (CHEMBL1047209)	Inhibition of human ERG
50038979	16	ChEMBL_599162 (CHEMBL1049805)	Inhibition of Lyn
50038979	17	ChEMBL_599163 (CHEMBL1049806)	Inhibition of Lck
50038980	1	ChEMBL_599174 (CHEMBL1049817)	Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay
50038980	2	ChEMBL_599171 (CHEMBL1049814)	Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay
50038980	3	ChEMBL_599172 (CHEMBL1049815)	Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay
50038980	4	ChEMBL_599173 (CHEMBL1049816)	Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay
50038981	1	ChEMBL_599822 (CHEMBL1042781)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting
50038982	1	ChEMBL_600033 (CHEMBL1039226)	Inhibition of ADAM9 after 10 to 15 mins by fluorescence assay
50038982	2	ChEMBL_600036 (CHEMBL1039229)	Inhibition of calpain 1 after 10 to 15 mins by fluorescence assay
50038982	3	ChEMBL_600037 (CHEMBL1039230)	Inhibition of caspase 1 after 10 to 15 mins by fluorescence assay
50038982	4	ChEMBL_600038 (CHEMBL1039231)	Inhibition of caspase 2 after 10 to 15 mins by fluorescence assay
50038982	5	ChEMBL_600039 (CHEMBL1039232)	Inhibition of caspase 3 after 10 to 15 mins by fluorescence assay
50038982	6	ChEMBL_600040 (CHEMBL1039233)	Inhibition of caspase 4 after 10 to 15 mins by fluorescence assay
50038982	7	ChEMBL_600041 (CHEMBL1039234)	Inhibition of caspase 5 after 10 to 15 mins by fluorescence assay
50038982	8	ChEMBL_600042 (CHEMBL1039235)	Inhibition of caspase 6 after 10 to 15 mins by fluorescence assay
50038982	9	ChEMBL_600043 (CHEMBL1039236)	Inhibition of caspase 7 after 10 to 15 mins by fluorescence assay
50038982	10	ChEMBL_600044 (CHEMBL1039237)	Inhibition of caspase 8 after 10 to 15 mins by fluorescence assay
50038982	11	ChEMBL_600045 (CHEMBL1039238)	Inhibition of caspase 9 after 10 to 15 mins by fluorescence assay
50038982	12	ChEMBL_600046 (CHEMBL1039239)	Inhibition of caspase 10 after 10 to 15 mins by fluorescence assay
50038982	13	ChEMBL_600047 (CHEMBL1039240)	Inhibition of mouse caspase 11 after 10 to 15 mins by fluorescence assay
50038982	14	ChEMBL_600048 (CHEMBL1039241)	Inhibition of caspase 14 after 10 to 15 mins by fluorescence assay
50038982	15	ChEMBL_600049 (CHEMBL1039242)	Inhibition of cathepsin B after 10 to 15 mins by fluorescence assay
50038982	16	ChEMBL_600050 (CHEMBL1039243)	Inhibition of cathepsin C after 10 to 15 mins by fluorescence assay
50038982	19	ChEMBL_600053 (CHEMBL1039246)	Inhibition of cathepsin H after 10 to 15 mins by fluorescence assay
50038982	20	ChEMBL_600054 (CHEMBL1039247)	Inhibition of cathepsin K after 10 to 15 mins by fluorescence assay
50038982	21	ChEMBL_600055 (CHEMBL1039248)	Inhibition of cathepsin S after 10 to 15 mins by fluorescence assay
50038982	22	ChEMBL_600056 (CHEMBL1039249)	Inhibition of cathepsin V after 10 to 15 mins by fluorescence assay
50038982	24	ChEMBL_600058 (CHEMBL1039251)	Inhibition of cathepsin Z after 10 to 15 mins by fluorescence assay
50038982	25	ChEMBL_600059 (CHEMBL1039252)	Inhibition of chymase after 10 to 15 mins by fluorescence assay
50038982	26	ChEMBL_600061 (CHEMBL1039254)	Inhibition of DPP4 after 10 to 15 mins by fluorescence assay
50038982	27	ChEMBL_600062 (CHEMBL1039255)	Inhibition of DPP8 after 10 to 15 mins by fluorescence assay
50038982	28	ChEMBL_600063 (CHEMBL1039256)	Inhibition of DPP9 after 10 to 15 mins by fluorescence assay
50038982	29	ChEMBL_600064 (CHEMBL1039257)	Inhibition of porcine pancreatic elastase after 10 to 15 mins by fluorescence assay
50038982	30	ChEMBL_600065 (CHEMBL1039258)	Inhibition of factor 10a after 10 to 15 mins by fluorescence assay
50038982	31	ChEMBL_600066 (CHEMBL1039259)	Inhibition of factor 11a after 10 to 15 mins by fluorescence assay
50038982	32	ChEMBL_600067 (CHEMBL1039260)	Inhibition of kallikrein 4 after 10 to 15 mins by fluorescence assay
50038982	33	ChEMBL_600068 (CHEMBL1039261)	Inhibition of kallikrein 5 after 10 to 15 mins by fluorescence assay
50038982	34	ChEMBL_600069 (CHEMBL1039262)	Inhibition of kallikrein 8 after 10 to 15 mins by fluorescence assay
50038982	35	ChEMBL_600070 (CHEMBL1039263)	Inhibition of MMP1 after 10 to 15 mins by fluorescence assay
50038982	36	ChEMBL_600034 (CHEMBL1039227)	Inhibition of ADAM10 after 10 to 15 mins by fluorescence assay
50038982	38	ChEMBL_600071 (CHEMBL1039264)	Inhibition of MMP2 after 10 to 15 mins by fluorescence assay
50038982	39	ChEMBL_600072 (CHEMBL1039265)	Inhibition of MMP3 after 10 to 15 mins by fluorescence assay
50038982	40	ChEMBL_600073 (CHEMBL1041046)	Inhibition of MMP7 after 10 to 15 mins by fluorescence assay
50038982	41	ChEMBL_600074 (CHEMBL1041047)	Inhibition of MMP8 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	42	ChEMBL_600075 (CHEMBL1041048)	Inhibition of MMP9 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	43	ChEMBL_600031 (CHEMBL1039224)	Inhibition of activated protein C after 10 to 15 mins by fluorescence assay in presence of 50% glycine
50038982	44	ChEMBL_600032 (CHEMBL1039225)	Inhibition of ACE1 after 10 to 15 mins by fluorescence assay
50038982	45	ChEMBL_600076 (CHEMBL1041049)	Inhibition of MMP10 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	46	ChEMBL_600077 (CHEMBL1041050)	Inhibition of MMP11 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	47	ChEMBL_600078 (CHEMBL1041051)	Inhibition of MMP12 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	48	ChEMBL_600079 (CHEMBL1041052)	Inhibition of MMP13 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	49	ChEMBL_600080 (CHEMBL1041053)	Inhibition of MMP14 catalytic domain after 10 to 15 mins by fluorescence assay
50038982	50	ChEMBL_600081 (CHEMBL1041054)	Inhibition of papaya papain after 10 to 15 mins by fluorescence assay
50038982	51	ChEMBL_600082 (CHEMBL1041055)	Inhibition of plasma kallikrein after 10 to 15 mins by fluorescence assay
50038982	52	ChEMBL_600083 (CHEMBL1041056)	Inhibition of human plasmin after 10 to 15 mins by fluorescence assay
50038982	53	ChEMBL_600084 (CHEMBL1041057)	Inhibition of human renin after 10 to 15 mins by fluorescence assay
50038982	55	ChEMBL_600086 (CHEMBL1041951)	Inhibition of thrombin alpha after 10 to 15 mins by fluorescence assay
50038982	56	ChEMBL_600087 (CHEMBL1041952)	Inhibition of bovine pancreatic trypsin after 10 to 15 mins by fluorescence assay
50038982	57	ChEMBL_600089 (CHEMBL1041954)	Inhibition of human lung tryptase gamma1 after 10 to 15 mins by fluorescence assay
50038982	58	ChEMBL_600090 (CHEMBL1041955)	Inhibition of urokinase after 10 to 15 mins by fluorescence assay
50038982	61	ChEMBL_599354 (CHEMBL1043695)	Inhibition of cathepsin D
50038982	64	ChEMBL_599355 (CHEMBL1043696)	Inhibition of cathepsin E
50038982	62	ChEMBL_600033 (CHEMBL1039226)	Inhibition of ADAM9 after 10 to 15 mins by fluorescence assay
50038982	63	ChEMBL_600034 (CHEMBL1039227)	Inhibition of ADAM10 after 10 to 15 mins by fluorescence assay
50038982	65	ChEMBL_600085 (CHEMBL1041950)	Inhibition of TACE after 10 to 15 mins by fluorescence assay
50038983	1	ChEMBL_598858 (CHEMBL1044690)	Inhibition of Cy3-labeled mouse recombinant Hes1 (3-281) dimer formation expressed in Escherichia coli by microplate-based assay
50038984	1	ChEMBL_599565 (CHEMBL1038375)	Inhibition of Itk
50038984	2	ChEMBL_598945 (CHEMBL1049081)	Inhibition of Eck
50038984	3	ChEMBL_598946 (CHEMBL1049082)	Inhibition of EGFR
50038984	4	ChEMBL_599560 (CHEMBL1038370)	Inhibition of FGFR3
50038984	5	ChEMBL_599561 (CHEMBL1038371)	Inhibition of Hek
50038984	6	ChEMBL_599562 (CHEMBL1038372)	Inhibition of HGFR
50038984	7	ChEMBL_599563 (CHEMBL1038373)	Inhibition of IGF1R
50038984	8	ChEMBL_599564 (CHEMBL1038374)	Inhibition of IR
50038984	9	ChEMBL_598905 (CHEMBL1047281)	Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay
50038984	10	ChEMBL_598913 (CHEMBL1047289)	Inhibition of IKKalpha
50038984	11	ChEMBL_599566 (CHEMBL1040178)	Inhibition of Lyn
50038984	12	ChEMBL_599567 (CHEMBL1040179)	Inhibition of PDGFRalpha
50038984	13	ChEMBL_599568 (CHEMBL1040180)	Inhibition of Syk
50038984	14	ChEMBL_599569 (CHEMBL1040181)	Inhibition of TrkA
50038984	15	ChEMBL_599570 (CHEMBL1040182)	Inhibition of VEGFR1
50038984	16	ChEMBL_598944 (CHEMBL1049080)	Inhibition of Btk
50038985	1	ChEMBL_599587 (CHEMBL1040199)	Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay
50038985	2	ChEMBL_599588 (CHEMBL1040200)	Displacement of [3H]spiperone from D2 receptor
50038985	3	ChEMBL_599590 (CHEMBL1040202)	Binding affinity to 5-HT2B receptor
50038985	4	ChEMBL_599591 (CHEMBL1040203)	Agonist activity at 5-HT2A receptor
50038986	1	ChEMBL_599602 (CHEMBL1040214)	Binding affinity to mouse CD22 after 1 hr by competition ELISA
50038987	1	ChEMBL_599604 (CHEMBL1040216)	Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor
50038988	1	ChEMBL_597399 (CHEMBL1037222)	Allosteric modulation of rat NK2 receptor expressed in HEK293 cells assessed as increase in intracellular calcium level by spectrofluorimetry
50038988	2	ChEMBL_597393 (CHEMBL1037216)	Allosteric modulation of rat NK2 receptor expressed in HEK293 cells assessed as cAMP production by radioimmunoassay
50038989	2	ChEMBL_594780 (CHEMBL1040741)	Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake
50038989	3	ChEMBL_594783 (CHEMBL1040744)	Inhibition of human SGLT1 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake
50038990	1	ChEMBL_594810 (CHEMBL1042549)	Inhibition of mouse recombinant serine racemase expressed in Escherichia coli MC1061 assessed as formation of D-serine after 30 mins by HPLC analysis
50038990	2	ChEMBL_594815 (CHEMBL1042554)	Inhibition of mouse recombinant serine racemase expressed in Escherichia coli MC1061 assessed as formation of D-serine after 30 mins by Linewaver-burk and Eadie-Hofstee plot analysis
50038990	3	ChEMBL_594813 (CHEMBL1042552)	Inhibition of mouse recombinant serine racemase transfected in bacterial expression system
50038990	4	ChEMBL_594814 (CHEMBL1042553)	Inhibition of mouse brain serine racemase
50038991	1	ChEMBL_595293 (CHEMBL1047087)	Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK 293 cells in presence of 0.5% BSA by scintillation counting
50038991	2	ChEMBL_595294 (CHEMBL1047088)	Displacement of [3H]-PGD2 from human DP receptor expressed in HEK 293 cells in presence of 0.5% BSA by scintillation counting
50038991	3	ChEMBL_595295 (CHEMBL1047089)	Antagonist activity at human CRTH2 expressed in CEM cells assessed as inhibition of PGD2-stimulated cell migration after 3 hrs by transwell migration assay
50038991	4	ChEMBL_595308 (CHEMBL1047102)	Inhibition of PGD2-induced CRTH2 receptor internalization of CD16 negative granulocytes in human whole blood by flow cytometry
50038991	5	ChEMBL_595309 (CHEMBL1047103)	Antagonist activity at DP receptor in human platelets assessed as inhibition of PGD2-induced cAMP production by competitive ELISA
50038991	6	ChEMBL_595315 (CHEMBL1047109)	Displacement of [3H]-PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells
50038991	7	ChEMBL_595310 (CHEMBL1047104)	Displacement of [3H]SQ29548 from human TP receptor transfected in HEK 293 EBNA cells
50038991	8	ChEMBL_595311 (CHEMBL1047105)	Inhibition of EP2 expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP production
50038991	9	ChEMBL_595312 (CHEMBL1047106)	Inhibition of EP4 expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP production
50038992	1	ChEMBL_596785 (CHEMBL1041807)	Inhibition of human recombinant PTP1B
50038993	1	ChEMBL_597000 (CHEMBL1039096)	Inhibition of human carbonic anhydrase 1 by CO2 hydrase stopped flow assay
50038993	2	ChEMBL_597001 (CHEMBL1041845)	Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay
50038993	3	ChEMBL_597002 (CHEMBL1041846)	Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay
50038994	1	ChEMBL_597287 (CHEMBL1044318)	Inhibition of JAK2 by radiometric assay
50038994	2	ChEMBL_597288 (CHEMBL1044319)	Inhibition of JAK3 by radiometric assay
50038994	3	ChEMBL_597289 (CHEMBL1044320)	Inhibition of JAK2-mediated STAT5 phosphorylation in GMCSF-stimulated human TF1 cells
50038994	4	ChEMBL_597290 (CHEMBL1044321)	Inhibition of JAK2-mediated STAT5 phosphorylation in GMCSF-stimulated human HT2 cells
50038994	5	ChEMBL_597438 (CHEMBL1039924)	Inhibition of FLT3
50038995	1	ChEMBL_594634 (CHEMBL1037931)	Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen
50038996	1	ChEMBL_594667 (CHEMBL1037160)	Inhibition of ovine COX-1 assessed as inhibition of transformation of AA to PGH2 by EIA
50038996	2	ChEMBL_594668 (CHEMBL1037161)	Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2 by EIA
50038997	1	ChEMBL_594903 (CHEMBL1040774)	Inhibition of human recombinant COX-2 by enzyme immuno assay
50038997	2	ChEMBL_594904 (CHEMBL1040775)	Inhibition of bovine COX-1 by enzyme immuno assay
50038997	3	ChEMBL_594906 (CHEMBL1040777)	Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay
50038998	1	ChEMBL_595113 (CHEMBL1050600)	Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins
50038999	1	ChEMBL_595538 (CHEMBL1048773)	Displacement of [3H]nisoxetine from NET in rat brain
50038999	2	ChEMBL_595536 (CHEMBL1048771)	Displacement of [3H]WIN-35428 from DAT in rat brain
50038999	3	ChEMBL_595537 (CHEMBL1048772)	Displacement of [3H]citalopram from SERT in rat brain
50039000	1	ChEMBL_595738 (CHEMBL1045261)	Inhibition of Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins
50039000	2	ChEMBL_595739 (CHEMBL1045262)	Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins by isothermal titration calorimetry
50039001	1	ChEMBL_595741 (CHEMBL1045264)	Agonist activity at human P2Y14 receptor expressed in HEK293 cells coexpressing phospholipase C-activating Gi protein cells assessed as inhibition of forskolin induced [3H]cAMP production
50039001	2	ChEMBL_595742 (CHEMBL1045265)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol phosphate production at 10 uM
50039001	3	ChEMBL_595740 (CHEMBL1045263)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating Gq protein assessed as [3H]inositol phosphate production
50001164	1	ChEMBL_1709505 (CHEMBL4119554)	Competitive inhibition of Pseudomonas aeruginosa recombinant AIM1 expressed in Escherichia coli BL21(DE3) using cefuroxime as substrate by UV/Vis multi-plate spectrophotometric method
50001164	2	ChEMBL_1709503 (CHEMBL4119552)	Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-plate spectrophotometric method
50001165	1	ChEMBL_1709541 (CHEMBL4119590)	Inhibition of BACE1 (unknown origin) using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by FRET assay
50001165	2	ChEMBL_1709543 (CHEMBL4119592)	Binding affinity to BACE1 (unknown origin) by SPR method
50039002	2	ChEMBL_595941 (CHEMBL1041790)	Agonist activity at human FXR expressed in COS1 cells by luciferase reporter gene assay
50001166	1	ChEMBL_1709546 (CHEMBL4119595)	Displacement of [3H]prazosin from alpha1 adrenoceptor in C57BL/6 mouse hippocampal homogenates after 40 mins by liquid scintillation counting method
50001167	1	ChEMBL_1709577 (CHEMBL4119626)	Activity at alpha2 adrenergic receptor in human brain prefrontal cortex membranes assessed as effect on UK14304-induced [35S]GTPgammaS binding by measuring UK14304 EC50 at 10'-5 M after 120 mins by microbeta liquid scintillation spectrometry (Rvb = 0.4 +/- 0.01 uM)
50001167	2	ChEMBL_1709574 (CHEMBL4119623)	Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain prefrontal cortex membranes after 30 mins by microbeta liquid scintillation spectrometry
50039003	1	ChEMBL_595958 (CHEMBL1044460)	Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay
50039003	2	ChEMBL_595959 (CHEMBL1044461)	Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay
50039003	3	ChEMBL_595960 (CHEMBL1044462)	Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay
50039003	4	ChEMBL_595961 (CHEMBL1044463)	Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay
50039003	5	ChEMBL_595957 (CHEMBL1044459)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50039003	6	ChEMBL_595952 (CHEMBL1044454)	Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay
50039003	7	ChEMBL_595951 (CHEMBL1044453)	Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay
50039003	8	ChEMBL_595950 (CHEMBL1041799)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50039003	9	ChEMBL_595949 (CHEMBL1041798)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50039003	10	ChEMBL_595956 (CHEMBL1044458)	Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay
50039003	11	ChEMBL_595955 (CHEMBL1044457)	Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay
50039003	12	ChEMBL_595954 (CHEMBL1044456)	Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay
50039003	13	ChEMBL_595953 (CHEMBL1044455)	Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay
50039004	1	ChEMBL_596055 (CHEMBL1037349)	Inhibition of Leishmania major recombinant PTR1
50039005	1	ChEMBL_596085 (CHEMBL1038191)	Activation of human recombinant SUR1/Kir6.2 channel expressed in HEK293 cells assessed as increase in ionic current by whole cell patch clamp assay
50039006	1	ChEMBL_596563 (CHEMBL1042582)	Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy
50039007	1	ChEMBL_596610 (CHEMBL1042629)	Inhibition of JNK3
50039007	2	ChEMBL_596582 (CHEMBL1042601)	Inhibition of JNK1 by time resolved fluorescence assay
50039007	3	ChEMBL_596583 (CHEMBL1042602)	Inhibition of JNK3 by time resolved fluorescence assay
50039008	1	ChEMBL_597529 (CHEMBL1047004)	Inhibition of human recombinant AChE
50039009	1	ChEMBL_597552 (CHEMBL1047027)	Inhibition of human recombinant N-terminally 6X-His-tagged SIRT2 after 4 hrs in presence of NAD+ by fluorescent deacetylase assay
50039009	2	ChEMBL_597554 (CHEMBL1047029)	Inhibition of human recombinant N-terminally 6X-His-tagged SIRT3 after 4 hrs in presence of NAD+ by fluorescent deacetylase assay
50039009	3	ChEMBL_597550 (CHEMBL1047025)	Inhibition of human recombinant N-terminally GST-tagged SIRT1 after 4 hrs in presence of NAD+ by fluorescent deacetylase assay
50039010	2	ChEMBL_597771 (CHEMBL1046249)	Inhibition of KDR
50039010	3	ChEMBL_597763 (CHEMBL1046241)	Inhibition of Abl 1
50039010	4	ChEMBL_597767 (CHEMBL1046245)	Inhibition of Fyn
50039010	5	ChEMBL_597768 (CHEMBL1046246)	Inhibition of Hck
50039010	6	ChEMBL_597779 (CHEMBL1046257)	Inhibition of GCK
50039010	7	ChEMBL_597782 (CHEMBL1046260)	Inhibition of LCK by LANCE FRET assay
50039010	8	ChEMBL_597780 (CHEMBL1046258)	Inhibition of PDGFRalpha
50039010	13	ChEMBL_597772 (CHEMBL1046250)	Inhibition of ERK2
50039010	14	ChEMBL_597773 (CHEMBL1046251)	Inhibition of p38alpha
50039010	15	ChEMBL_597774 (CHEMBL1046252)	Inhibition of MK2
50039010	16	ChEMBL_597778 (CHEMBL1046256)	Inhibition of CK1gamma1
50039010	17	ChEMBL_597781 (CHEMBL1046259)	Inhibition of RSK1
50039010	18	ChEMBL_597770 (CHEMBL1046248)	Inhibition of src kinase
50039011	1	ChEMBL_594766 (CHEMBL1039876)	Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-selection promoter activation after 6 hrs by luciferase reporter gene based ELAM assay
50039011	2	ChEMBL_594763 (CHEMBL1039873)	Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay
50039011	3	ChEMBL_594764 (CHEMBL1039874)	Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by luciferase reporter gene assay
50039011	4	ChEMBL_594768 (CHEMBL1039878)	Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain expressed in human HeLa cells assessed as NP1 activation by luciferase reporter gene assay
50039011	5	ChEMBL_594770 (CHEMBL1040731)	Binding affinity to androgen receptor
50039011	6	ChEMBL_594773 (CHEMBL1040734)	Binding affinity to progesterone receptor
50039012	1	ChEMBL_595003 (CHEMBL1039861)	Inhibition of alpha5beta1 integrin-mediated cell adhesion in human K562 cells on fibronectin coated plate after 30 mins
50039013	1	ChEMBL_595174 (CHEMBL1040016)	Inhibition of human recombinant IDO expressed in HEK293 cells assessed as blockade of tryptophan degradation by HPLC
50039013	2	ChEMBL_595175 (CHEMBL1040017)	Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC
50039013	3	ChEMBL_595173 (CHEMBL1040015)	Inhibition of mouse recombinant IDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC
50039013	4	ChEMBL_595171 (CHEMBL1040013)	Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI
50039013	5	ChEMBL_595172 (CHEMBL1040014)	Inhibition of IDO by cell-free assay
50039014	1	ChEMBL_595209 (CHEMBL1040051)	Inhibition of BuChE in human liver microsomes
50039014	2	ChEMBL_595221 (CHEMBL1042759)	Inhibition of BuChE
50039014	3	ChEMBL_595212 (CHEMBL1040054)	Inhibition of electric eel AChE type 6S
50039014	4	ChEMBL_595215 (CHEMBL1040871)	Inhibition of human CES2-mediated pNPA substrate turnover
50039015	1	ChEMBL_595405 (CHEMBL1039204)	Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assay
50039015	2	ChEMBL_595237 (CHEMBL1043589)	Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane
50039016	1	ChEMBL_595421 (CHEMBL1040062)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting
50039016	2	ChEMBL_595423 (CHEMBL1040064)	Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of serotonin-induced cAMP accumulation by HTRF assay
50039016	3	ChEMBL_595424 (CHEMBL1040065)	Antagonist activity at mouse wild type 5HT6 receptor expressed in COS7 cells assessed as inhibition of serotonin-induced cAMP accumulation by HTRF assay
50039016	4	ChEMBL_595422 (CHEMBL1040063)	Displacement of [3H]LSD from human 5HT7 receptor expressed in HEK293 cells by liquid scintillation counting
50039017	1	ChEMBL_602351 (CHEMBL1041581)	Inhibition of human acidic mammalian chitinase
50039018	1	ChEMBL_601089 (CHEMBL1072486)	Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding
50001168	1	ChEMBL_1709635 (CHEMBL4119684)	Agonist activity at CB1 receptor (unknown origin) expressed in CHO cells assessed as induction of calcium mobilization by fluo-4 AM dye-based fluorescence assay
50001168	2	ChEMBL_1709636 (CHEMBL4119685)	Agonist activity at CB2 receptor (unknown origin) expressed in CHO cells assessed as induction of calcium mobilization by fluo-4 AM dye-based fluorescence assay
50039018	9	ChEMBL_601079 (CHEMBL1071838)	Activity at mu opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding
50039018	12	ChEMBL_601085 (CHEMBL1072482)	Activity at NOP expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding
50001169	1	ChEMBL_1709641 (CHEMBL4119690)	Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition measured at 30 secs interval for 3 to 6 mins by fluorescent PK-LDH assay
50001169	2	ChEMBL_1709644 (CHEMBL4119693)	Inhibition of recombinant human N-terminal His-tagged PKL expressed in Escherichia coli preincubated for 15 mins followed by PEP/NADH addition measured at 30 secs interval for 3 to 6 mins by fluorescent PK-LDH assay
50001169	3	ChEMBL_1709642 (CHEMBL4119691)	Inhibition of recombinant human N-terminal His-tagged PKM1 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition measured at 30 secs interval for 3 to 6 mins by fluorescent PK-LDH assay
50039019	1	ChEMBL_601140 (CHEMBL1074555)	Inhibition of human recombinant ASNS expressed in Sf9 insect cells
50039019	2	ChEMBL_601141 (CHEMBL1074556)	Inhibition of human recombinant ASNS expressed in Sf9 insect cells assessed as overall inhibition constant
50039020	1	ChEMBL_605403 (CHEMBL1073397)	Agonist activity at human GPR14 expressed in HEK293 cells by calcium mobilization assay
50039021	1	ChEMBL_605777 (CHEMBL1074595)	Inhibition of human cathepsin B
50039021	2	ChEMBL_605778 (CHEMBL1074596)	Inhibition of human cathepsin L
50039021	3	ChEMBL_605776 (CHEMBL1074594)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50039022	1	ChEMBL_606760 (CHEMBL1065350)	Inhibition of Clostridium perfringens neuraminidase
50039023	1	ChEMBL_606800 (CHEMBL1067345)	Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay
50039023	2	ChEMBL_606799 (CHEMBL1067344)	Inhibition of yeast Hst2 by fluorimetric assay
50039023	3	ChEMBL_606804 (CHEMBL1068568)	Noncompetitive inhibition of yeast Hst2 using NAD+ substrate
50039023	4	ChEMBL_606805 (CHEMBL1068569)	Noncompetitive inhibition of yeast Hst2 using Acetyl-lysine substrate
50039023	5	ChEMBL_606807 (CHEMBL1068571)	Mixed inhibition of yeast Hst2 using Acetyl-lysine substrate
50039023	6	ChEMBL_606806 (CHEMBL1068570)	Mixed inhibition of yeast Hst2 using NAD+ substrate
50039024	1	ChEMBL_602900 (CHEMBL1038443)	Inhibition of [3H]NE reuptake at human NET expressed in HEK cells
50039024	2	ChEMBL_602895 (CHEMBL1038438)	Displacement of [125I]RTI-55 from human recombinant DAT expressed in HEK293 cells
50039024	3	ChEMBL_602896 (CHEMBL1038439)	Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells
50039024	4	ChEMBL_602897 (CHEMBL1038440)	Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting
50039024	5	ChEMBL_602898 (CHEMBL1038441)	Inhibition of [3H]DA reuptake at human DAT expressed in HEK293 cells
50039024	6	ChEMBL_602899 (CHEMBL1038442)	Inhibition of [3H]5HT reuptake at human SERT expressed in HEK293 cells
50039025	1	ChEMBL_603130 (CHEMBL1038852)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells by scintillation counting
50039025	2	ChEMBL_603131 (CHEMBL1038853)	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells by scintillation counting
50039025	3	ChEMBL_603132 (CHEMBL1038854)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells by scintillation counting
50039025	4	ChEMBL_603133 (CHEMBL1038855)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cells by scintillation counting
50039025	5	ChEMBL_603134 (CHEMBL1038856)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in CHO cells by scintillation counting
50039025	6	ChEMBL_603139 (CHEMBL1038861)	Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in CHO cells by scintillation counting
50039025	7	ChEMBL_603140 (CHEMBL1039720)	Displacement of [3H]spiperone from rat dopamine D4 receptor expressed in CHO cells by scintillation counting
50039025	8	ChEMBL_603141 (CHEMBL1039721)	Displacement of [3H]SCH23390 from rat dopamine D5 receptor expressed in CHO cells by scintillation counting
50039026	1	ChEMBL_603826 (CHEMBL1042966)	Binding affinity to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by surface plasmon resonance spectroscopy
50039026	2	ChEMBL_603824 (CHEMBL1042964)	Inhibition of D-GalNAc-PAA binding to human recombinant ASGPR1 carbohydrate recognition domain expressed in Escherichia coli AD494 by competitive solid-phase binding assay
50039027	1	ChEMBL_603964 (CHEMBL1043317)	Inhibition of human factor 10a by para-nitroanilide release assay
50039027	2	ChEMBL_603966 (CHEMBL1043319)	Inhibition of human thrombin by para-nitroanilide release assay
50039027	3	ChEMBL_603967 (CHEMBL1043320)	Inhibition of human plasmin by para-nitroanilide release assay
50039027	4	ChEMBL_603969 (CHEMBL1043322)	Inhibition of human tissue plasminogen activator by para-nitroanilide release assay
50039028	1	ChEMBL_604464 (CHEMBL1072709)	Inhibition of HMG CoA reductase by spectrophotometry
50039029	1	ChEMBL_604665 (CHEMBL1068488)	Binding affinity to recombinant ORL1 receptor expressed in COS7 cells by saturation binding assay
50039029	2	ChEMBL_604478 (CHEMBL1072723)	Displacement of [3H]nociceptin from recombinant ORL1 receptor expressed in COS7 cells by competitive receptor binding assay
50039029	3	ChEMBL_604468 (CHEMBL1072713)	Agonist activity at recombinant ORL1 receptor expressed in COS7 cells assessed as stimulation of GTPgammaS binding
50039030	1	ChEMBL_606644 (CHEMBL1071871)	Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay
50039030	2	ChEMBL_606645 (CHEMBL1071872)	Displacement of [8-3H]ATP from human recombinant MK2 (36-400) by scintillation proximity assay
50039030	3	ChEMBL_606646 (CHEMBL1071873)	Displacement of [8-3H]ATP from human recombinant MK2 (41-364) by scintillation proximity assay
50039030	4	ChEMBL_606643 (CHEMBL1071870)	Displacement of [8-3H]ATP from human recombinant phospho-MK2 (36-400) by scintillation proximity assay
50039031	1	ChEMBL_603251 (CHEMBL1049475)	Binding affinity to stromelysin-1 catalytic domain
50039031	2	ChEMBL_603252 (CHEMBL1049476)	Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry
50039032	1	ChEMBL_603506 (CHEMBL1068425)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of intracellular calcium level
50039032	2	ChEMBL_603505 (CHEMBL1068424)	Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level
50039033	1	ChEMBL_603587 (CHEMBL1071139)	Agonist activity at human recombinant alpha7 nAChR expressed in xenopus oocytes assessed as induction of Ca2+ current
50039033	2	ChEMBL_603582 (CHEMBL1071134)	Displacement of [3H]585539 from alpha7 nAChR in rat brain
50039034	1	ChEMBL_603807 (CHEMBL1042945)	Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins
50039035	1	ChEMBL_603980 (CHEMBL1043333)	Displacement of [3H]U69593 from guinea pig cerebellum kappa opioid receptor
50039035	2	ChEMBL_603982 (CHEMBL1043335)	Displacement of [3H]DAMGO from guinea pig forebrain mu opioid receptor
50039036	1	ChEMBL_604267 (CHEMBL1066723)	Displacement of [3H]GR127543 from human 5HT1B receptor
50039036	2	ChEMBL_604268 (CHEMBL1066724)	Displacement of [3H]GR127543 from human 5HT1D receptor
50039036	3	ChEMBL_604269 (CHEMBL1066725)	Displacement of [3H]5-HT from human 5HT1E receptor
50039036	4	ChEMBL_604270 (CHEMBL1066726)	Displacement of [3H]Ketanserin from human 5HT2A receptor
50039036	5	ChEMBL_604271 (CHEMBL1066727)	Displacement of [3H]LSD from human 5HT2B receptor
50039036	6	ChEMBL_604272 (CHEMBL1066728)	Displacement of [3H]Mesulergine from human 5HT2C receptor
50039036	7	ChEMBL_604273 (CHEMBL1066729)	Displacement of [3H]LY278584 from human 5HT3 receptor
50039036	8	ChEMBL_604274 (CHEMBL1066730)	Displacement of [3H]LSD from human 5HT5A receptor
50039036	9	ChEMBL_604275 (CHEMBL1066731)	Displacement of [3H]LSD from human 5HT6 receptor
50039036	10	ChEMBL_604276 (CHEMBL1066732)	Displacement of [3H]LSD from human 5HT7 receptor
50039036	11	ChEMBL_604277 (CHEMBL1066733)	Displacement of [3H]Prazosin from human adrenergic alpha1A receptor
50039036	12	ChEMBL_604285 (CHEMBL1066741)	Displacement of [125I]Iodopindolol from human adrenergic beta3 receptor
50039036	13	ChEMBL_604286 (CHEMBL1066742)	Displacement of [3H]SCH233930 from human dopamine D1 receptor
50039036	14	ChEMBL_604287 (CHEMBL1066743)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor
50039036	15	ChEMBL_604288 (CHEMBL1066744)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor
50039036	16	ChEMBL_604289 (CHEMBL1066745)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor
50039036	17	ChEMBL_604290 (CHEMBL1066746)	Displacement of [3H]SCH233930 from human dopamine D5 receptor
50039036	18	ChEMBL_604291 (CHEMBL1066747)	Displacement of [3H]WIN-35428 from human DAT
50039036	19	ChEMBL_604292 (CHEMBL1066748)	Displacement of [3H]Citalopram from human SERT
50039036	20	ChEMBL_604293 (CHEMBL1066749)	Displacement of [3H]Nisoxetine from human NET
50039036	22	ChEMBL_604295 (CHEMBL1066751)	Displacement of [3H]U69593 from human KOR
50039036	23	ChEMBL_604296 (CHEMBL1066752)	Displacement of [3H]DAMGO from human MOR
50039036	24	ChEMBL_604297 (CHEMBL1066753)	Displacement of [3H]Pyrilamine from human histamine H1 receptor
50039036	25	ChEMBL_604298 (CHEMBL1066754)	Displacement of [3H]Tiotidine from human histamine H2 receptor
50039036	26	ChEMBL_604299 (CHEMBL1066755)	Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor
50039036	27	ChEMBL_604300 (CHEMBL1066756)	Displacement of [3H]Histamine from human histamine H4 receptor
50039036	28	ChEMBL_604301 (CHEMBL1066757)	Displacement of [3H]QNB from human muscarinic M1 receptor
50039036	29	ChEMBL_604302 (CHEMBL1066758)	Displacement of [3H]QNB from human muscarinic M2 receptor
50039036	30	ChEMBL_604303 (CHEMBL1066759)	Displacement of [3H]QNB from human muscarinic M3 receptor
50039036	31	ChEMBL_604304 (CHEMBL1066760)	Displacement of [3H]QNB from human muscarinic M4 receptor
50039036	32	ChEMBL_604278 (CHEMBL1066734)	Displacement of [3H]Prazosin from human adrenergic Alpha-1B receptor
50039036	33	ChEMBL_604279 (CHEMBL1066735)	Binding affinity to human adrenergic Alpha-1D receptor
50039036	34	ChEMBL_604280 (CHEMBL1066736)	Displacement of [3H]Clonidine from human adrenergic alpha2A receptor
50039036	36	ChEMBL_604282 (CHEMBL1066738)	Displacement of [3H]Clonidine from human adrenergic Alpha-2C receptor
50039036	37	ChEMBL_604283 (CHEMBL1066739)	Displacement of [125I]Iodopindolol from human adrenergic beta-1 receptor
50001159	21	ChEMBL_1709719 (CHEMBL4119768)	Inhibition of USP7 (unknown origin)
50001159	16	ChEMBL_1709726 (CHEMBL4119775)	Inhibition of USP47 (unknown origin) using Ub-AMC as substrate preincubated for 20 mins followed by substrate addition measured after 50 mins
50001159	2	ChEMBL_1709725 (CHEMBL4119774)	Inhibition of full-length USP7 (unknown origin) using Ub-AMC as substrate preincubated for 20 mins followed by substrate addition measured after 50 mins
50001159	18	ChEMBL_1709721 (CHEMBL4119770)	Inhibition of USP7 (unknown origin) using Ub-Rh110 as substrate by fluorescence based assay
50001159	10	ChEMBL_1709729 (CHEMBL4119778)	Inhibition of USP7 (unknown origin) using GST-Ub52-flag substrate incubated for 1 hr by fluorimetry
50001159	8	ChEMBL_1709711 (CHEMBL4119760)	Inhibition of human full-length His-tagged USP8 expressed baculovirus infected insect cells using Ub-AMC as substrate by fluorescence spectroscopic analysis
50001159	3	ChEMBL_1709714 (CHEMBL4119763)	Inhibition of USP5 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50001159	17	ChEMBL_1709715 (CHEMBL4119764)	Inhibition of USP8 (unknown origin) expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50001159	15	ChEMBL_1709716 (CHEMBL4119765)	Inhibition of UCH-L3 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50001159	5	ChEMBL_1709724 (CHEMBL4119773)	Inhibition of human recombinant 6His-tagged USP7 using Ub-Rh110 as substrate preincubated for 30 mins followed by substrate addition measured after 180 mins by fluorometric analysis
50001159	9	ChEMBL_1709722 (CHEMBL4119771)	Inhibition of full-length native C-terminal USP7 (unknown origin) using Ub-Rho110 as substrate after 1 hr by fluorescence assay
50001159	13	ChEMBL_1709717 (CHEMBL4119766)	Inhibition of Caspase 3 (unknown origin) using Ac-DEVD-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50039037	3	ChEMBL_605689 (CHEMBL1071219)	Displacement of [3H]T0901317 from human recombinant LXRalpha LBD
50001159	14	ChEMBL_1709727 (CHEMBL4119776)	Inhibition of USP7 (unknown origin) using human N-terminal GST-tagged UBA52 as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by coomassie brilliant blue staining-based SDS-PAGE analysis
50001159	4	ChEMBL_1709713 (CHEMBL4119762)	Inhibition of human full-length wild-type N-terminal His-tagged USP7 expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50001159	20	ChEMBL_1709720 (CHEMBL4119769)	Inhibition of full-length recombinant USP7 (unknown origin) expressed in Sf9 cells using Ub-EKL as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50001159	12	ChEMBL_1709728 (CHEMBL4119777)	Inhibition of USP2 (unknown origin)
50001159	7	ChEMBL_1709723 (CHEMBL4119772)	Inhibition of USP7 in human SJSA cells assessed as increase in ubiquitinated MDM2 level after 20 hrs in presence of MG132 by MSD assay
50001159	19	ChEMBL_1709710 (CHEMBL4119759)	Inhibition of full length wild-type human N-terminal His-tagged USP7 expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50001159	6	ChEMBL_1709712 (CHEMBL4119761)	Inhibition of UCH-L1 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50001159	11	ChEMBL_1709718 (CHEMBL4119767)	Inhibition of human full-length wild-type His-tagged catalytic USP7 C223A mutant expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 1 hrs by fluorometric analysis
50001170	1	ChEMBL_1709730 (CHEMBL4119779)	Inhibition of human plasma kallikrein using H-Pro-Phe-Arg-AMC as substrate after 1 hr by fluorescence assay
50001171	1	ChEMBL_1709736 (CHEMBL4119785)	Inhibition of PI3Kbeta in human PC3 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 60 mins by ELISA
50001171	2	ChEMBL_1709737 (CHEMBL4119786)	Inhibition of PI3Kbeta in human PC3 cells assessed as reduction in AKT phosphorylation at Thr308 residue measured after 60 mins by ELISA
50001171	3	ChEMBL_1709734 (CHEMBL4119783)	Binding affinity to wild-type human PIK3Cgamma (S144 to A1102 residues) expressed in mammalian expression system by KINOMEScan assay
50001171	4	ChEMBL_1709735 (CHEMBL4119784)	Binding affinity to wild-type human MTOR (L1382 to W2549 residues) expressed in mammalian expression system by KINOMEScan assay
50001171	5	ChEMBL_1709733 (CHEMBL4119782)	Binding affinity to wild-type human PIK3Cdelta (R108 to Q1044 residues) expressed in mammalian expression system by KINOMEScan assay
50001171	6	ChEMBL_1709731 (CHEMBL4119780)	Binding affinity to wild-type human PIK3Calpha (R108 to N1068 residues) expressed in mammalian expression system by KINOMEScan assay
50039038	1	ChEMBL_610926 (CHEMBL1067649)	Inhibition of mouse recombinant GARFtase assessed as FGAR formation by spectrophotometry
50039038	2	ChEMBL_610927 (CHEMBL1067650)	Inhibition of GARFtase in human KB cells assessed as [14C]glycine incorporation in to [14C]FGAR in folate free RPMI medium with 2 nM LCV by in-situassay
50039039	2	ChEMBL_611870 (CHEMBL1070825)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay
50039039	1	ChEMBL_611631 (CHEMBL1068968)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay
50039039	4	ChEMBL_611869 (CHEMBL1070824)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as concentration required to 50% maximal response of compound 3 at 10 uM by fura2/AM assay
50039039	5	ChEMBL_611633 (CHEMBL1068972)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as concentration required to 50% maximal response of compound 3 at 10 uM by fura2/AM assay
50039039	6	ChEMBL_611872 (CHEMBL1070827)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as concentration required to 50% maximal response of compound 3 at 10 uM by fura2/AM assay
50039039	3	ChEMBL_611634 (CHEMBL1068973)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay
50039039	7	ChEMBL_611874 (CHEMBL1070829)	Agonist activity at mouse P2Y2 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay
50039039	8	ChEMBL_611873 (CHEMBL1070828)	Agonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay
50039040	1	ChEMBL_611876 (CHEMBL1070831)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by SPR analysis
50039040	2	ChEMBL_611882 (CHEMBL1070837)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM5 chip SPR analysis
50039040	3	ChEMBL_611883 (CHEMBL1070838)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HEPES condition by CM5 chip SPR analysis
50039040	4	ChEMBL_611884 (CHEMBL1070839)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under NaCl condition by CM5 chip SPR analysis
50039040	5	ChEMBL_611885 (CHEMBL1070840)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under carboxymethyl-dextran sodium salt condition by CM5 chip SPR analysis
50039040	6	ChEMBL_611886 (CHEMBL1070841)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells under HBS-EP condition by CM4 chip SPR analysis
50039040	7	ChEMBL_611880 (CHEMBL1070835)	Binding affinity to mouse MAGd1-3Fc expressed in CHO-Lec 3.2.8.1 cells by biocore
50039041	1	ChEMBL_608662 (CHEMBL1067148)	Inhibition of CDK2
50039041	3	ChEMBL_608664 (CHEMBL1067150)	Inhibition of CDK4
50039041	4	ChEMBL_608665 (CHEMBL1067151)	Inhibition of AUR2
50039041	5	ChEMBL_608667 (CHEMBL1067153)	Inhibition of AKT
50039042	1	ChEMBL_609373 (CHEMBL1072759)	Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenching
50039042	2	ChEMBL_609374 (CHEMBL1072760)	Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenching
50039042	3	ChEMBL_609375 (CHEMBL1072761)	Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching
50039043	1	ChEMBL_609622 (CHEMBL1065237)	Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cells
50039043	2	ChEMBL_609618 (CHEMBL1065233)	Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells
50039043	3	ChEMBL_609611 (CHEMBL1065226)	Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells
50039043	4	ChEMBL_609635 (CHEMBL1067198)	Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay
50039043	5	ChEMBL_609634 (CHEMBL1067197)	Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assay
50039043	6	ChEMBL_609617 (CHEMBL1065232)	Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay
50039044	1	ChEMBL_610308 (CHEMBL1071420)	Inhibition of FLT3 by ELISA-based kinase assay
50039044	2	ChEMBL_610307 (CHEMBL1071419)	Inhibition of ABL by ELISA-based kinase assay
50001171	7	ChEMBL_1709732 (CHEMBL4119781)	Binding affinity to wild-type human PIK3Cbeta (P118 to S1070 residues) expressed in mammalian expression system by KINOMEScan assay
50039044	3	ChEMBL_610306 (CHEMBL1071418)	Inhibition of ALK by ELISA-based kinase assay
50039044	4	ChEMBL_610305 (CHEMBL1071417)	Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells
50039045	4	ChEMBL_610350 (CHEMBL1072082)	Displacement of Eu-labeled galanin from human GalR2 by DELFIA competitive assay
50039046	1	ChEMBL_610633 (CHEMBL1069647)	Inhibition of human recombinant factor 9a by amidolytic assay
50039046	2	ChEMBL_610634 (CHEMBL1069648)	Inhibition of factor 10 by amidolytic assay
50039046	3	ChEMBL_610635 (CHEMBL1069649)	Inhibition of uPA
50039047	1	ChEMBL_610636 (CHEMBL1069650)	Inhibition of human 15PGDH expressed in Escherichia coli BL-21 by fluorescence spectrophotometry
50039048	1	ChEMBL_610658 (CHEMBL1071678)	Inhibition of human recombinant MAOB by spectrophotometrically
50039048	2	ChEMBL_610656 (CHEMBL1071676)	Inhibition of MAOB in rat brain mitochondrial suspension
50039048	3	ChEMBL_610655 (CHEMBL1071675)	Inhibition of MAOA in rat brain mitochondrial suspension
50039048	4	ChEMBL_610657 (CHEMBL1071677)	Inhibition of human recombinant MAOA by spectrophotometrically
50039049	1	ChEMBL_610684 (CHEMBL1072345)	Inhibition of human recombinant heparanase
50039049	2	ChEMBL_610685 (CHEMBL1072346)	Binding affinity to FGF1 by surface plasmon-based solution affinity assay
50039049	3	ChEMBL_610686 (CHEMBL1072347)	Binding affinity to FGF2 by surface plasmon-based solution affinity assay
50039049	4	ChEMBL_610687 (CHEMBL1072348)	Binding affinity to VEGF by surface plasmon-based solution affinity assay
50039050	1	ChEMBL_612614 (CHEMBL1065651)	Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting
50039050	2	ChEMBL_612615 (CHEMBL1065652)	Binding affinity to human 5HT3A receptor in HEK293 cells assessed as cell labeling by confocal microscopy
50039051	1	ChEMBL_612633 (CHEMBL1065670)	Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method
50039051	2	ChEMBL_612643 (CHEMBL1065680)	Antagonist activity at human P2Y2 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization
50039051	3	ChEMBL_612834 (CHEMBL1067523)	Antagonist activity at human P2Y4 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization
50039051	4	ChEMBL_612835 (CHEMBL1067524)	Antagonist activity at rat P2Y6 receptor expressed in astrocytoma cells assessed as inhibition of intracellular calcium mobilization
50039051	5	ChEMBL_612637 (CHEMBL1065674)	Inhibition of rat NTPdase1 by capillary electrophoresis method
50039051	6	ChEMBL_612639 (CHEMBL1065676)	Inhibition of rat NTPdase2 by capillary electrophoresis method
50039051	7	ChEMBL_612641 (CHEMBL1065678)	Inhibition of rat NTPdase3 by capillary electrophoresis method
50039051	8	ChEMBL_612638 (CHEMBL1065675)	Inhibition of human NTPdase1 by capillary electrophoresis method
50039051	9	ChEMBL_612640 (CHEMBL1065677)	Inhibition of human NTPdase2 by capillary electrophoresis method
50039051	10	ChEMBL_612642 (CHEMBL1065679)	Inhibition of human NTPdase3 by capillary electrophoresis method
50039052	1	ChEMBL_612870 (CHEMBL1067559)	Inhibition of steroid sulfatase in human JEG3 cells by scintillation spectrometry
50039052	2	ChEMBL_612867 (CHEMBL1067556)	Inhibition of aromatase in human JEG3 cells by scintillation spectrometry
50039052	3	ChEMBL_612880 (CHEMBL1068843)	Inhibition of human CA2 by colorimetric assay
50039053	1	ChEMBL_612908 (CHEMBL1069507)	Antiprogestagenic activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50039054	1	ChEMBL_608392 (CHEMBL1074426)	Inhibition of GSK3-beta by scintillation proximity assay
50039054	2	ChEMBL_608393 (CHEMBL1074427)	Inhibition of c-ABL by scintillation proximity assay
50039054	3	ChEMBL_608428 (CHEMBL1064457)	Inhibition of VEGFR3 by scintillation proximity assay
50039054	4	ChEMBL_608427 (CHEMBL1064456)	Inhibition of VEGFR2 by scintillation proximity assay
50039054	5	ChEMBL_608426 (CHEMBL1064455)	Inhibition of TRKA
50039054	6	ChEMBL_608423 (CHEMBL1064452)	Inhibition of RET by scintillation proximity assay
50039054	7	ChEMBL_608422 (CHEMBL1064451)	Inhibition of p38alpha
50039054	8	ChEMBL_608421 (CHEMBL1064450)	Inhibition of PLK2 by scintillation proximity assay
50039054	9	ChEMBL_608420 (CHEMBL1064449)	Inhibition of PLK1
50039054	11	ChEMBL_608418 (CHEMBL1064447)	Inhibition of PKAalpha by scintillation proximity assay
50039054	12	ChEMBL_608417 (CHEMBL1064446)	Inhibition of PDK1 by scintillation proximity assay
50039054	13	ChEMBL_608415 (CHEMBL1064444)	Inhibition of PAK4 by scintillation proximity assay
50039054	14	ChEMBL_608413 (CHEMBL1064442)	Inhibition of NEK6 by scintillation proximity assay
50039054	15	ChEMBL_608412 (CHEMBL1064441)	Inhibition of MET
50039054	16	ChEMBL_608411 (CHEMBL1064440)	Inhibition of MAPKAPK2 by scintillation proximity assay
50039054	17	ChEMBL_608410 (CHEMBL1064439)	Inhibition of LCK by scintillation proximity assay
50039054	18	ChEMBL_608409 (CHEMBL1064438)	Inhibition of cKit by scintillation proximity assay
50039054	19	ChEMBL_608408 (CHEMBL1064437)	Inhibition of JAK2 by scintillation proximity assay
50039054	20	ChEMBL_608407 (CHEMBL1064436)	Inhibition of IR by scintillation proximity assay
50039054	21	ChEMBL_608406 (CHEMBL1064435)	Inhibition of IKK2 by scintillation proximity assay
50039054	22	ChEMBL_608405 (CHEMBL1064434)	Inhibition of IGF1R by scintillation proximity assay
50039054	23	ChEMBL_608404 (CHEMBL1074438)	Inhibition of FLT3 by scintillation proximity assay
50039054	24	ChEMBL_608403 (CHEMBL1074437)	Inhibition of FGFR1 by scintillation proximity assay
50039054	25	ChEMBL_608402 (CHEMBL1074436)	Inhibition of ERK2
50039054	26	ChEMBL_608401 (CHEMBL1074435)	Inhibition of EGFR by scintillation proximity assay
50039054	27	ChEMBL_608398 (CHEMBL1074432)	Inhibition of CDC7 by scintillation proximity assay
50039054	29	ChEMBL_608396 (CHEMBL1074430)	Inhibition of Aurora A by scintillation proximity assay
50039054	30	ChEMBL_608395 (CHEMBL1074429)	Inhibition of ALK by scintillation proximity assay
50039054	31	ChEMBL_608394 (CHEMBL1074428)	Inhibition of AKT1
50039055	1	ChEMBL_608735 (CHEMBL1067748)	Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry
50039055	2	ChEMBL_608730 (CHEMBL1067743)	Inhibition of PTP1B
50039055	3	ChEMBL_608731 (CHEMBL1067744)	Inhibition of TCPTP
50039055	4	ChEMBL_608732 (CHEMBL1067745)	Allosteric inhibition of PTP1B
50039055	5	ChEMBL_608736 (CHEMBL1067749)	Inhibition of TCPTP expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry
50039055	6	ChEMBL_608737 (CHEMBL1067750)	Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry
50039055	8	ChEMBL_608739 (CHEMBL1067752)	Inhibition of LAR expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry
50039056	1	ChEMBL_608751 (CHEMBL1067764)	Antagonist activity at dopamine D4 receptor
50039056	2	ChEMBL_608752 (CHEMBL1067765)	Agonist activity at dopamine D2 receptor
50039056	3	ChEMBL_608753 (CHEMBL1067766)	Agonist activity at 5HT1A receptor
50039056	4	ChEMBL_608746 (CHEMBL1067759)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate
50039056	5	ChEMBL_608747 (CHEMBL1067760)	Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogenate
50039057	1	ChEMBL_609690 (CHEMBL1066831)	Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells
50039057	2	ChEMBL_609691 (CHEMBL1066832)	Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells
50039058	1	ChEMBL_609720 (CHEMBL1067457)	Inhibition of Clostridium botulinum toxin BoNT/A light chain
50039058	2	ChEMBL_609713 (CHEMBL1067450)	Inhibition of Clostridium botulinum toxin BoNT/A light chain by FRET assay
50039058	3	ChEMBL_609714 (CHEMBL1067451)	Inhibition of Clostridium botulinum toxin BoNT/A light chain by HPLC-based assay
50039058	4	ChEMBL_609715 (CHEMBL1067452)	Inhibition of Bacillus anthracis anthrax lethal factor by FRET assay
50039059	1	ChEMBL_609722 (CHEMBL1067459)	Inhibition of human FMS expressed in growth factor dependent mouse FDC-P1 cells assessed as inhibition of FMS-mediated cell proliferation in presence human CSF1 after 48 hrs by resazurin dye reduction assay
50039060	1	ChEMBL_611080 (CHEMBL1065060)	Inhibition of PI3Kbeta
50039060	2	ChEMBL_611081 (CHEMBL1065061)	Inhibition of PI3Kdelta
50039060	3	ChEMBL_611077 (CHEMBL1065057)	Inhibition of mTOR
50039060	4	ChEMBL_611075 (CHEMBL1065055)	Inhibition of PI3Kalpha
50039060	5	ChEMBL_611076 (CHEMBL1065056)	Inhibition of PI3Kgamma
50039061	1	ChEMBL_613676 (CHEMBL1067596)	Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP
50039061	2	ChEMBL_613679 (CHEMBL1067599)	Inhibition of PLK1 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP
50039061	3	ChEMBL_613682 (CHEMBL1067602)	Inhibition of INSR assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP
50039061	4	ChEMBL_613684 (CHEMBL1070927)	Inhibition of VEGFR2 in HUE cells assessed as inhibition of VEGF-induced autophosphorylation treated for 90 mins before VEGF challenge by ELISA
50039061	5	ChEMBL_613675 (CHEMBL1067595)	Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 0.1 uM ATP
50039061	6	ChEMBL_613678 (CHEMBL1067598)	Inhibition of PLK1 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 0.1 uM ATP
50039061	7	ChEMBL_613681 (CHEMBL1067601)	Inhibition of INSR assessed as [33Pi] incorporation by microplate scintillation counting in presence of 0.1 uM ATP
50039062	1	ChEMBL_613790 (CHEMBL1069561)	Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry
50039063	1	ChEMBL_613851 (CHEMBL1067674)	Agonist activity at human MC4R expressed in CHO cells after 4 hrs by luciferase reporter gene assay
50039063	2	ChEMBL_613853 (CHEMBL1067676)	Agonist activity at human MC1R expressed in CHO cells after 4 hrs by luciferase reporter gene assay
50039064	1	ChEMBL_613891 (CHEMBL1067712)	Inhibition of bovine AChE by Elman's method
50039064	2	ChEMBL_613892 (CHEMBL1067713)	Inhibition of equine serum BChE by Ellman's method
50039065	1	ChEMBL_613982 (CHEMBL1069022)	Inhibition of human recombinant SGLT2 expressed in CHO cells by liquid scintillation counting
50039066	1	ChEMBL_613331 (CHEMBL1074268)	Inhibition of human CA4 by stopped-flow CO2 hydration assay
50039066	2	ChEMBL_613330 (CHEMBL1074267)	Inhibition of human CA3 by stopped-flow CO2 hydration assay
50039066	3	ChEMBL_613329 (CHEMBL1074266)	Inhibition of human CA2 by stopped-flow CO2 hydration assay
50039066	4	ChEMBL_613328 (CHEMBL1074265)	Inhibition of human CA1 by stopped-flow CO2 hydration assay
50039066	5	ChEMBL_613339 (CHEMBL1074276)	Inhibition of human CA14 by stopped-flow CO2 hydration assay
50039066	6	ChEMBL_613338 (CHEMBL1074275)	Inhibition of mouse CA13 by stopped-flow CO2 hydration assay
50039066	7	ChEMBL_613337 (CHEMBL1074274)	Inhibition of human CA12 by stopped-flow CO2 hydration assay
50039066	8	ChEMBL_613336 (CHEMBL1074273)	Inhibition of human CA9 by stopped-flow CO2 hydration assay
50039066	9	ChEMBL_613335 (CHEMBL1074272)	Inhibition of human CA7 by stopped-flow CO2 hydration assay
50039066	10	ChEMBL_613334 (CHEMBL1074271)	Inhibition of human CA6 by stopped-flow CO2 hydration assay
50039066	11	ChEMBL_613333 (CHEMBL1074270)	Inhibition of human CA5B by stopped-flow CO2 hydration assay
50039066	12	ChEMBL_613332 (CHEMBL1074269)	Inhibition of human CA5A by stopped-flow CO2 hydration assay
50039067	1	ChEMBL_613345 (CHEMBL1074282)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane
50039067	2	ChEMBL_613344 (CHEMBL1074281)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50039067	3	ChEMBL_613353 (CHEMBL1074290)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP
50039067	4	ChEMBL_613362 (CHEMBL1064296)	Binding affinity to human adenosine A3 receptor
50039067	5	ChEMBL_613348 (CHEMBL1074285)	Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells
50039067	6	ChEMBL_613347 (CHEMBL1074284)	Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells
50039067	8	ChEMBL_613367 (CHEMBL1068174)	Binding affinity to guinea pig adenosine A2A receptor
50039067	11	ChEMBL_613344 (CHEMBL1074281)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50039067	12	ChEMBL_613347 (CHEMBL1074284)	Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells
50039067	13	ChEMBL_613345 (CHEMBL1074282)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane
50039067	15	ChEMBL_613359 (CHEMBL1074296)	Binding affinity to rat adenosine A3 receptor
50039067	16	ChEMBL_613358 (CHEMBL1074295)	Binding affinity to rat adenosine A2B receptor
50039067	17	ChEMBL_613362 (CHEMBL1064296)	Binding affinity to human adenosine A3 receptor
50039067	18	ChEMBL_613348 (CHEMBL1074285)	Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells
50039068	1	ChEMBL_613376 (CHEMBL1067574)	Inhibition of mouse COX2
50039068	2	ChEMBL_613375 (CHEMBL1067573)	Inhibition of ovine COX1
50039068	3	ChEMBL_613377 (CHEMBL1067575)	Inhibition of human MAPK p38alpha
50039068	4	ChEMBL_613378 (CHEMBL1067576)	Inhibition of human PDE4D
50039068	5	ChEMBL_613379 (CHEMBL1067577)	Inhibition of human PDE4B
50039069	1	ChEMBL_607279 (CHEMBL1072821)	Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting
50039069	2	ChEMBL_607278 (CHEMBL1072820)	Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting
50039070	1	ChEMBL_607463 (CHEMBL1068068)	Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay
50039070	2	ChEMBL_607464 (CHEMBL1068069)	Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20
50039070	3	ChEMBL_607465 (CHEMBL1068070)	Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20
50039071	1	ChEMBL_611719 (CHEMBL1074313)	Inhibition of human CYP2C19 by LCMS/MS assay
50039071	2	ChEMBL_611718 (CHEMBL1074312)	Inhibition of human CYP2C9 by LCMS/MS assay
50039071	3	ChEMBL_611717 (CHEMBL1074311)	Inhibition of human CYP1A2 by LCMS/MS assay
50039071	4	ChEMBL_607703 (CHEMBL1066168)	Inhibition of human ROCK2 by IMAP assay
50001172	1	ChEMBL_1709738 (CHEMBL4119787)	Inhibition of human flag-tagged CD73 Thr376Ala mutant (1 to 552 residues) assessed as reduction in conversion of AMP to adenosine incubated for 10 mins followed by AMP addition measured after 30 mins by RapidFire mass spectrometric analysis
50001173	1	ChEMBL_1709740 (CHEMBL4119789)	Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by HTRF assay
50039071	5	ChEMBL_607684 (CHEMBL1071706)	Inhibition of human ROCK1 by homogenous luciferase assay
50039071	6	ChEMBL_611414 (CHEMBL1065745)	Inhibition of PRKCD
50039071	8	ChEMBL_611413 (CHEMBL1065744)	Inhibition of VEGFR1
50001173	2	ChEMBL_1709739 (CHEMBL4119788)	Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 1.5 hrs by HTRF assay
50039071	10	ChEMBL_607696 (CHEMBL1066161)	Inhibition of Cdc42
50039071	11	ChEMBL_607695 (CHEMBL1066160)	Inhibition of PKCepsilon
50039071	12	ChEMBL_611720 (CHEMBL1074314)	Inhibition of human CYP2D6 by LCMS/MS assay
50039071	13	ChEMBL_611411 (CHEMBL1065742)	Inhibition of PTK2
50039071	14	ChEMBL_611412 (CHEMBL1065743)	Inhibition of MST4
50039071	15	ChEMBL_611410 (CHEMBL1065741)	Inhibition of LYN
50039071	16	ChEMBL_611409 (CHEMBL1065740)	Inhibition of PIM2
50039071	17	ChEMBL_611408 (CHEMBL1065739)	Inhibition of MAP3K11
50039071	18	ChEMBL_611407 (CHEMBL1065738)	Inhibition of PLK
50039071	19	ChEMBL_611406 (CHEMBL1065737)	Inhibition of ITK
50039071	20	ChEMBL_607697 (CHEMBL1066162)	Inhibition of PKN2
50039071	21	ChEMBL_611721 (CHEMBL1074315)	Inhibition of human CYP3A4 by LCMS/MS assay
50039071	22	ChEMBL_611717 (CHEMBL1074311)	Inhibition of human CYP1A2 by LCMS/MS assay
50039071	23	ChEMBL_611718 (CHEMBL1074312)	Inhibition of human CYP2C9 by LCMS/MS assay
50039071	24	ChEMBL_611719 (CHEMBL1074313)	Inhibition of human CYP2C19 by LCMS/MS assay
50039071	25	ChEMBL_611720 (CHEMBL1074314)	Inhibition of human CYP2D6 by LCMS/MS assay
50039071	26	ChEMBL_611721 (CHEMBL1074315)	Inhibition of human CYP3A4 by LCMS/MS assay
50039072	1	ChEMBL_611750 (CHEMBL1065787)	Inhibition of human PDE3A by fluorescence microplate reader
50039072	2	ChEMBL_611751 (CHEMBL1065788)	Inhibition of human PDE3B by fluorescence microplate reader
50039073	1	ChEMBL_612069 (CHEMBL1072874)	Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast plasmid DNA by fluorescent plate reader
50039074	1	ChEMBL_612146 (CHEMBL1073568)	Inhibition of hydratase-activity of CA1 from human erythrocytes by CO2-hydration method
50039074	2	ChEMBL_612147 (CHEMBL1073569)	Inhibition of hydratase-activity of human erythrocytes CA2 by CO2-hydration method
50039074	3	ChEMBL_612380 (CHEMBL1066266)	Inhibition of esterase-activity of CA1 from human erythrocytes by spectrophotometry
50039074	4	ChEMBL_612381 (CHEMBL1066267)	Inhibition of esterase-activity of human erythrocytes CA2 by spectrophotometry
50039074	5	ChEMBL_612382 (CHEMBL1066268)	Inhibition of CA1 from human erythrocytes by Lineweaver-Burke analysis
50039074	6	ChEMBL_612383 (CHEMBL1066269)	Inhibition of human erythrocytes CA2 by Lineweaver-Burke analysis
50039075	1	ChEMBL_612941 (CHEMBL1070893)	Binding affinity to human CB2 receptor
50039075	2	ChEMBL_612940 (CHEMBL1070892)	Binding affinity to human CB1 receptor
50039076	2	ChEMBL_608836 (CHEMBL1069055)	Inhibition of CHK2 in human HT29 cells
50001174	1	ChEMBL_1709745 (CHEMBL4119794)	Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50001174	2	ChEMBL_1709746 (CHEMBL4119795)	Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50001174	3	ChEMBL_1709747 (CHEMBL4119796)	Inhibition of recombinant human carbonic anhydrase 12 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50001174	4	ChEMBL_1709744 (CHEMBL4119793)	Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration pretreated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis
50039076	3	ChEMBL_608835 (CHEMBL1069054)	Inhibition of CHK2 in human HT29 cells assessed as blockade of etoposide-induced DNA damage-activated enzyme phosphorylation by Western bloting
50039076	4	ChEMBL_608836 (CHEMBL1069055)	Inhibition of CHK2 in human HT29 cells
50039077	1	ChEMBL_609767 (CHEMBL1069385)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells
50039077	2	ChEMBL_609766 (CHEMBL1069384)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells
50039078	1	ChEMBL_610803 (CHEMBL1068120)	Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry
50039078	3	ChEMBL_610807 (CHEMBL1068124)	Displacement of [3HDTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry
50039078	2	ChEMBL_610802 (CHEMBL1068119)	Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry
50039078	4	ChEMBL_610810 (CHEMBL1068127)	Binding affinity to VMAT2 receptor
50039078	5	ChEMBL_610806 (CHEMBL1068123)	Displacement of [3H]MTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry
50039079	4	ChEMBL_611187 (CHEMBL1065709)	Agonist activity at 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgamma binding
50039080	1	ChEMBL_611842 (CHEMBL1070134)	Inhibition of IKK-beta by tome resolved fluorescence assay
50039081	1	ChEMBL_612729 (CHEMBL1069601)	Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates by liquid scintillation counting
50039082	1	ChEMBL_612753 (CHEMBL1071579)	Inhibition of human BACE2 by FRET assay
50039082	2	ChEMBL_612756 (CHEMBL1071582)	Inhibition of human cathepsin D by FRET assay
50039083	1	ChEMBL_607910 (CHEMBL1066238)	Inhibition of thymidine phosphorylase in T cell lymphomas of Sprague-Dawley rat in presence of 100 uM thymidine and 200 uM phosphate
50039083	2	ChEMBL_607911 (CHEMBL1066239)	Inhibition of human recombinant thymidine phosphorylase
50039084	1	ChEMBL_608253 (CHEMBL1073056)	Inhibition of human DHFR at 30 degC under pH 7.4 by spectrophotometry
50039084	2	ChEMBL_608250 (CHEMBL1073053)	Inhibition of human thymidylate synthase at 30 degC under pH 7.4 by spectrophotometry
50039084	3	ChEMBL_608260 (CHEMBL1073063)	Inhibition of Pneumocystis carinii DHFR at 37 degC by spectrophotometry
50039084	4	ChEMBL_608255 (CHEMBL1073058)	Inhibition of Toxoplasma gondii DHFR at 30 degC under pH 7.4 by spectrophotometry
50039084	5	ChEMBL_608252 (CHEMBL1073055)	Inhibition of Toxoplasma gondii TS at 30 degC under pH 7.4 by spectrophotometry
50039084	6	ChEMBL_608248 (CHEMBL1072437)	Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry
50039084	7	ChEMBL_608266 (CHEMBL1073069)	Inhibition of Toxoplasma gondii DHFR at 37 degC by spectrophotometry
50039084	8	ChEMBL_608263 (CHEMBL1073066)	Inhibition of rat liver DHFR at 37 degC by spectrophotometry
50039085	1	ChEMBL_622727 (CHEMBL1113103)	Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique
50039085	2	ChEMBL_622730 (CHEMBL1113106)	Inhibition of rat Cav2.2 channel expressed in 0.07 Hz frequency-stimulated HEK cells by whole-cell patch-clamp technique
50039085	3	ChEMBL_622432 (CHEMBL1109268)	Inhibition of human carbonic anhydrase 2 by ThermoFluor method
50039085	4	ChEMBL_622433 (CHEMBL1109269)	Inhibition of carbonic anhydrase 1
50039085	5	ChEMBL_622429 (CHEMBL1109265)	Inhibition of human carbonic anhydrase 2 by CO2 hydration assay
50039085	6	ChEMBL_622430 (CHEMBL1109266)	Inhibition of human carbonic anhydrase 2 by fluorimetric assay
50039086	1	ChEMBL_621105 (CHEMBL1113189)	Inhibition of Sprague-Dawley rat lens aldose reductase by spectrofluorimetry
50039087	1	ChEMBL_621470 (CHEMBL1100031)	Binding affinity to thrombin by surface plasmon resonance assay
50039087	2	ChEMBL_621471 (CHEMBL1100032)	Binding affinity to thrombin in presence of 100 mJ/cm'2 UV light by surface plasmon resonance assay
50039088	1	ChEMBL_622878 (CHEMBL1116617)	Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa
50039088	2	ChEMBL_622880 (CHEMBL1116619)	Binding affinity to human vitamin D binding protein
50039089	1	ChEMBL_618897 (CHEMBL1101788)	Inhibition of p38alpha
50039089	2	ChEMBL_618898 (CHEMBL1101789)	Inhibition of JNK2
50039090	1	ChEMBL_621980 (CHEMBL1106771)	Inhibition of COX2 in LPS-stimulated human whole blood assessed as PGE2 production by enzyme immunoassay
50039090	2	ChEMBL_621977 (CHEMBL1106768)	Inhibition of COX2 in human whole blood
50039090	3	ChEMBL_621976 (CHEMBL1106767)	Inhibition of COX1 in human whole blood
50039090	4	ChEMBL_621979 (CHEMBL1106770)	Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay
50001175	1	ChEMBL_1709762 (CHEMBL4119811)	Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay
50001175	2	ChEMBL_1709761 (CHEMBL4119810)	Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-FRET assay
50001175	3	ChEMBL_1709760 (CHEMBL4119809)	Inhibition of recombinant human GST-tagged MEK1 expressed in baculovirus infected Sf9 insect cells using inactive ERK2 as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by kinase-glo reagent based bioluminescence assay
50039092	1	ChEMBL_617887 (CHEMBL1101552)	Inhibition of Haemophilus influenzae recombinant DapE
50039092	2	ChEMBL_617888 (CHEMBL1101553)	Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay
50039092	3	ChEMBL_617889 (CHEMBL1101554)	Inhibition of Haemophilus influenzae recombinant DapE by non-competitive binding assay
50039092	4	ChEMBL_617890 (CHEMBL1101555)	Inhibition of AAP
50039093	1	ChEMBL_618616 (CHEMBL1101504)	Inhibition of human recombinant PTP1B assessed as p-nitrophenol production
50039094	1	ChEMBL_618686 (CHEMBL1102464)	Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting
50039094	2	ChEMBL_618687 (CHEMBL1102465)	Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells
50001175	4	ChEMBL_1709775 (CHEMBL4119824)	Inhibition of PI3K delta (unknown origin)
50039096	1	ChEMBL_620577 (CHEMBL1111210)	Antagonist activity at androgen receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	2	ChEMBL_620585 (CHEMBL1111218)	Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	3	ChEMBL_620582 (CHEMBL1111215)	Antagonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	4	ChEMBL_620588 (CHEMBL1111221)	Agonist activity at estrogen receptor alpha ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	5	ChEMBL_620590 (CHEMBL1111223)	Antagonist activity at estrogen receptor alpha ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	6	ChEMBL_620593 (CHEMBL1111226)	Agonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	7	ChEMBL_620595 (CHEMBL1112056)	Antagonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	8	ChEMBL_620581 (CHEMBL1111214)	Antagonist activity at glucocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50039096	9	ChEMBL_620294 (CHEMBL1105079)	Activation of progesterone receptor in human T47D cells after 20 hrs by PRE-tagged luciferase reporter gene assay
50039096	10	ChEMBL_620573 (CHEMBL1111206)	Displacement of [3H]progesterone from progesterone receptor in human T47D cells after 3 hrs by scintillation counting
50039096	11	ChEMBL_620293 (CHEMBL1105078)	Displacement of progesterone from progesterone receptor in human T47D cells after 3 hrs
50039096	12	ChEMBL_620576 (CHEMBL1111209)	Agonist activity at androgen receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-DBD by luciferase reporter gene assay
50039096	13	ChEMBL_620579 (CHEMBL1111212)	Agonist activity at glucocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay
50001175	5	ChEMBL_1709774 (CHEMBL4119823)	Inhibition of PI3K alpha (unknown origin)
50039097	1	ChEMBL_619047 (CHEMBL1101405)	Inhibition of ETA receptor in human SK-N-MC cells after 60 mins by scintillation counting
50039097	2	ChEMBL_619046 (CHEMBL1101404)	Inhibition of neuropeptide Y1 receptor in human SK-N-MC cells after 60 mins by scintillation counting
50039098	1	ChEMBL_616144 (CHEMBL1103007)	Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cells
50039098	2	ChEMBL_616152 (CHEMBL1103015)	Binding affinity to HSP90 under reducing conditions in presence of TECP
50039098	3	ChEMBL_616197 (CHEMBL1100282)	Inhibition of HSP90alpha
50039098	4	ChEMBL_616146 (CHEMBL1103009)	Inhibition of HSP90-mediated client protein HER2 degradation
50039098	5	ChEMBL_616156 (CHEMBL1100068)	Binding affinity to HSP90 under non-reducing conditions in absence of TECP
50039098	6	ChEMBL_616154 (CHEMBL1100066)	Binding affinity to HSP90 by fluorescence polarization assay
50039098	7	ChEMBL_616198 (CHEMBL1100283)	Inhibition of HSP90beta
50039098	8	ChEMBL_616199 (CHEMBL1100284)	Inhibition of Grp94
50039098	9	ChEMBL_616200 (CHEMBL1100285)	Inhibition of TRAP1
50039099	1	ChEMBL_616480 (CHEMBL1101672)	Inhibition of Staphylococcus aureus sortase A after 1 hr in the presence of fluorescent peptide Dabcul-QALPETGEE-Edans by fluorimetry
50039100	1	ChEMBL_615852 (CHEMBL1101962)	Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells
50001175	6	ChEMBL_1709764 (CHEMBL4119813)	Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system coexpressing PIK3R1 by TR-FRET assay
50039100	2	ChEMBL_615854 (CHEMBL1101964)	Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in CHO cells
50039101	1	ChEMBL_615873 (CHEMBL1102707)	Displacement of [128I]RANTES from human CCR5 receptor coexpressed with Galphai6 in CHO cells after 2 hrs by scintillation counting
50039102	1	ChEMBL_616245 (CHEMBL1101138)	Inhibition of CDK8
50039102	2	ChEMBL_616244 (CHEMBL1101137)	Inhibition of ERK4
50039102	3	ChEMBL_616243 (CHEMBL1101136)	Inhibition of ERK2
50039102	4	ChEMBL_616242 (CHEMBL1101135)	Inhibition of ERK1
50039102	5	ChEMBL_616241 (CHEMBL1101134)	Inhibition of CDK11
50039102	6	ChEMBL_616240 (CHEMBL1101133)	Inhibition of PLK3
50039102	8	ChEMBL_616238 (CHEMBL1101131)	Inhibition of ERK3
50039102	9	ChEMBL_616237 (CHEMBL1101130)	Inhibition of AURKA
50039102	10	ChEMBL_616236 (CHEMBL1101129)	Inhibition of PLK1
50039102	11	ChEMBL_616235 (CHEMBL1101128)	Inhibition of AURKC
50039102	12	ChEMBL_616234 (CHEMBL1101127)	Inhibition of PRKR
50039102	13	ChEMBL_616233 (CHEMBL1101126)	Inhibition of CDK5
50039102	14	ChEMBL_616232 (CHEMBL1101125)	Inhibition of TTK
50039102	15	ChEMBL_616231 (CHEMBL1101124)	Inhibition of ERK5
50039102	16	ChEMBL_616140 (CHEMBL1103003)	Inhibition of CDK9
50039102	17	ChEMBL_616139 (CHEMBL1103002)	Inhibition of PLK4
50039102	18	ChEMBL_616138 (CHEMBL1103001)	Inhibition of CLK3
50039102	19	ChEMBL_616137 (CHEMBL1103000)	Inhibition of STK16
50039102	20	ChEMBL_616136 (CHEMBL1102999)	Inhibition of CDK2
50039102	21	ChEMBL_616135 (CHEMBL1102998)	Inhibition of PCTK3
50039102	22	ChEMBL_616134 (CHEMBL1102997)	Inhibition of CLK4
50039102	23	ChEMBL_616133 (CHEMBL1102996)	Inhibition of DYRK1B
50039102	24	ChEMBL_616132 (CHEMBL1102995)	Inhibition of CDK3
50039102	25	ChEMBL_616131 (CHEMBL1102994)	Inhibition of PCTK2
50039102	26	ChEMBL_616130 (CHEMBL1102993)	Inhibition of CDK7
50039102	27	ChEMBL_616129 (CHEMBL1102992)	Inhibition of ERK8
50039102	28	ChEMBL_616128 (CHEMBL1102991)	Inhibition of CLK1
50039102	29	ChEMBL_616127 (CHEMBL1102990)	Inhibition of PCTK1
50039102	30	ChEMBL_616119 (CHEMBL1102982)	Inhibition of CLK2
50039102	31	ChEMBL_616118 (CHEMBL1102981)	Inhibition of GSK3alpha
50039102	32	ChEMBL_616120 (CHEMBL1102983)	Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counting
50001175	7	ChEMBL_1709763 (CHEMBL4119812)	Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system by TR-FRET assay
50001175	8	ChEMBL_1709776 (CHEMBL4119825)	Inhibition of MEK1 in mouse colon 26 cells assessed as reduction in ERK1/2 phosphorylation after 1 hr by Western blot analysis
50001176	1	ChEMBL_1710130 (CHEMBL4120179)	Inhibition of recombinant full length His-tagged human STK16 expressed in baculovirus expression system by FRET assay
50001176	2	ChEMBL_1710138 (CHEMBL4120187)	Inhibition of recombinant full length GST-tagged human JNK3 expressed in baculovirus expression system by FRET assay
50001176	3	ChEMBL_1710141 (CHEMBL4120190)	Inhibition of recombinant human full length GST-tagged MLK3 expressed in baculovirus expression system by FRET assay
50001176	4	ChEMBL_1709818 (CHEMBL4119867)	Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4 K131M as substrate after 60 mins in presence of ATP by TR-FRET assay
50001176	5	ChEMBL_1709819 (CHEMBL4119868)	Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay
50039103	1	ChEMBL_616299 (CHEMBL1102102)	Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay
50039103	2	ChEMBL_616300 (CHEMBL1102103)	Inhibition of CDK2
50039103	3	ChEMBL_616301 (CHEMBL1102104)	Inhibition of FLT3
50039103	4	ChEMBL_616302 (CHEMBL1102105)	Inhibition of IRAK4
50039103	5	ChEMBL_616303 (CHEMBL1102106)	Inhibition of JAK2
50039103	6	ChEMBL_616304 (CHEMBL1102107)	Inhibition of JNK3
50039103	7	ChEMBL_616305 (CHEMBL1102108)	Inhibition of PI3Kgamma
50039103	8	ChEMBL_616306 (CHEMBL1102109)	Inhibition of KDR
50039103	9	ChEMBL_616307 (CHEMBL1102110)	Inhibition of MET
50039103	10	ChEMBL_616309 (CHEMBL1102112)	Inhibition of PLK1
50039103	11	ChEMBL_616310 (CHEMBL1102113)	Inhibition of ROCK1
50039103	12	ChEMBL_616311 (CHEMBL1102114)	Inhibition of SRC
50039103	13	ChEMBL_616312 (CHEMBL1102115)	Inhibition of SYK
50039104	1	ChEMBL_616572 (CHEMBL1099709)	Agonist activity at human recombinant PPARalpha LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transactivation assay
50039104	2	ChEMBL_616575 (CHEMBL1099712)	Agonist activity at human recombinant PPARgamma1 LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transactivation assay
50039104	3	ChEMBL_616574 (CHEMBL1099711)	Agonist activity at human recombinant PPARgamma2 LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transactivation assay
50039104	4	ChEMBL_616573 (CHEMBL1099710)	Agonist activity at human recombinant PPARgamma LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transactivation assay
50001176	6	ChEMBL_1710128 (CHEMBL4120177)	Inhibition of recombinant His-tagged human FLT3 cytoplasmic domain expressed in baculovirus expression system by FRET assay
50001176	7	ChEMBL_1710129 (CHEMBL4120178)	Inhibition of recombinant GST-tagged human PAK4 catalytic domain expressed in baculovirus expression system by FRET assay
50001176	8	ChEMBL_1710131 (CHEMBL4120180)	Inhibition of recombinant His-tagged human TrkA cytoplasmic domain (441 to 796 residues) expressed in baculovirus expression system by FRET assay
50039106	1	ChEMBL_617684 (CHEMBL1101480)	Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells
50039106	2	ChEMBL_617685 (CHEMBL1101481)	Inhibition of serotonin uptake at human SERT expressed in human JAR
50039106	3	ChEMBL_617686 (CHEMBL1101482)	Displacement of [3H]WIN-35428 from human recombinant DAT expressed in CHO cells
50039108	1	ChEMBL_614234 (CHEMBL1106062)	Inhibition of Aurora A by HTRF assay
50039108	2	ChEMBL_614233 (CHEMBL1106061)	Inhibition of insulin receptor by HTRF assay
50039108	3	ChEMBL_614232 (CHEMBL1106060)	Inhibition of EGFR by HTRF assay
50039108	4	ChEMBL_614231 (CHEMBL1106059)	Inhibition of Ron by HTRF assay
50039108	5	ChEMBL_614230 (CHEMBL1106058)	Inhibition of Met by HTRF assay
50039108	6	ChEMBL_614229 (CHEMBL1106057)	Inhibition of VEGFR2 by HTRF assay
50001176	9	ChEMBL_1710137 (CHEMBL4120186)	Inhibition of recombinant full length His-tagged human JNK1alpha1 expressed in baculovirus expression system by FRET assay
50039108	7	ChEMBL_614228 (CHEMBL1106056)	Inhibition of FLT3 by HTRF assay
50039109	1	ChEMBL_615503 (CHEMBL1105981)	Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance energy transfer immuno assay
50001176	10	ChEMBL_1710136 (CHEMBL4120185)	Inhibition of recombinant full length His-tagged human JNK2 (473 to end residues) expressed in baculovirus expression system at by FRET assay
50001176	11	ChEMBL_1710139 (CHEMBL4120188)	Inhibition of recombinant human GST-tagged MLK1 expressed in baculovirus expression system by FRET assay
50001176	12	ChEMBL_1710140 (CHEMBL4120189)	Inhibition of recombinant human full length GST-tagged MLK2 expressed in baculovirus expression system by FRET assay
50001176	13	ChEMBL_1710133 (CHEMBL4120182)	Inhibition of recombinant His-tagged human CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system by FRET assay
50001176	14	ChEMBL_1710134 (CHEMBL4120183)	Inhibition of full length recombinant human DMPK expressed in baculovirus expression system by FRET assay
50001176	15	ChEMBL_1710135 (CHEMBL4120184)	Inhibition of recombinant GST-tagged human EphA7 cytoplasmic domain expressed in baculovirus expression system by FRET assay
50039109	3	ChEMBL_615506 (CHEMBL1105984)	Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter
50001176	16	ChEMBL_1709825 (CHEMBL4119874)	Binding affinity to full length wild type human LZK (M1 to W966 residues) expressed in mammalian cells by KINOMEscan assay
50001176	17	ChEMBL_1709826 (CHEMBL4119875)	Binding affinity to full length wild type human DLK (M1 to P859 residues) expressed in mammalian cells by KINOMEscan assay
50001176	18	ChEMBL_1709827 (CHEMBL4119876)	Inhibition of DLK in CD-1 mouse DRG neuron assessed as axonal protection pre-incubated for 2 hrs before NGF deprivation for 16 to 20 hrs by Campenot chamber based fluorescence assay
50001176	19	ChEMBL_1710184 (CHEMBL4120233)	Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs in presence of 10% bovine serum by Hoechst-33342 staining-based assay
50001176	20	ChEMBL_1710132 (CHEMBL4120181)	Inhibition of recombinant His-tagged human AXL (473 to end residues) cytoplasmic domain expressed in insect cells by FRET assay
50039110	1	ChEMBL_626931 (CHEMBL1114526)	Agonist activity at N-terminal His-tagged human PPARgamma ligand binding domain by fluorescence polarization assay
50039111	1	ChEMBL_627197 (CHEMBL1114551)	Inhibition of MAPK14
50039111	2	ChEMBL_627198 (CHEMBL1114552)	Inhibition of CDK2
50039111	3	ChEMBL_627199 (CHEMBL1114553)	Inhibition of SRC
50039111	4	ChEMBL_627200 (CHEMBL1114554)	Inhibition of KDR
50039111	5	ChEMBL_627201 (CHEMBL1114555)	Inhibition of PLK1
50039111	7	ChEMBL_627203 (CHEMBL1114557)	Inhibition of AKT1
50039111	8	ChEMBL_627204 (CHEMBL1114558)	Inhibition of aurora 1
50039111	9	ChEMBL_627205 (CHEMBL1114559)	Inhibition of SGK
50039112	6	ChEMBL_627425 (CHEMBL1115355)	Inhibition of human thymidylate synthase
50039112	7	ChEMBL_627428 (CHEMBL1115358)	Inhibition of human DHFR
50039113	1	ChEMBL_624297 (CHEMBL1106982)	Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysis
50039113	2	ChEMBL_624292 (CHEMBL1106977)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting
50039113	3	ChEMBL_624293 (CHEMBL1106978)	Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting
50039113	4	ChEMBL_624294 (CHEMBL1106979)	Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assay
50039113	5	ChEMBL_624295 (CHEMBL1106980)	Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assay
50039113	6	ChEMBL_624296 (CHEMBL1106981)	Displacement of [3H]Dofetilide from human ERG
50039114	1	ChEMBL_624545 (CHEMBL1110594)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells
50039114	2	ChEMBL_624546 (CHEMBL1110595)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serum
50039114	3	ChEMBL_624564 (CHEMBL1110613)	Inhibition of CYP3A4
50039114	4	ChEMBL_624565 (CHEMBL1110614)	Induction of human PXR
50039114	5	ChEMBL_624562 (CHEMBL1110611)	Inhibition of CYP2C9
50039114	6	ChEMBL_624563 (CHEMBL1110612)	Inhibition of CYP2D6
50039115	1	ChEMBL_625073 (CHEMBL1112522)	Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay
50039115	2	ChEMBL_625070 (CHEMBL1112519)	Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay
50039115	3	ChEMBL_625072 (CHEMBL1112521)	Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay
50039115	4	ChEMBL_625071 (CHEMBL1112520)	Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay
50039116	1	ChEMBL_627223 (CHEMBL1110792)	Agonist activity at rat mGlu2 receptor expressed in HEK293 cells assessed as increase in intracellular calcium level after 1 hr by fluorescence microplate reader
50039116	2	ChEMBL_627227 (CHEMBL1110796)	Agonist activity at rat mGlu7 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular calcium level after 1 hr by fluorescence microplate reader
50039116	3	ChEMBL_627228 (CHEMBL1110797)	Agonist activity at rat mGlu7 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular inositol phosphate accumulation after 1 hr by scintillation counting
50039116	4	ChEMBL_627229 (CHEMBL1110798)	Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular calcium level after 1 hr by fluorescence microplate reader
50039116	5	ChEMBL_627230 (CHEMBL1110799)	Agonist activity at rat mGlu8 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular inositol phosphate accumulation after 1 hr by scintillation counting
50039116	6	ChEMBL_627218 (CHEMBL1115329)	Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular calcium level after 1 hr by fluorescence microplate reader
50039116	7	ChEMBL_627220 (CHEMBL1110789)	Agonist activity at rat mGlu4 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular inositol phosphate accumulation after 1 hr by scintillation counting
50039116	8	ChEMBL_627225 (CHEMBL1110794)	Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular calcium level after 1 hr by fluorescence microplate reader
50039116	9	ChEMBL_627226 (CHEMBL1110795)	Agonist activity at rat mGlu6 receptor expressed in HEK293 cells co-transfected with G-protein alpha and EAAC1 assessed as increase in intracellular inositol phosphate accumulation after 1 hr by scintillation counting
50039117	1	ChEMBL_627490 (CHEMBL1111776)	Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles
50039117	2	ChEMBL_627491 (CHEMBL1111777)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting
50039118	1	ChEMBL_627499 (CHEMBL1111785)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane
50039118	2	ChEMBL_627502 (CHEMBL1112644)	Binding affinity to mu opioid receptor
50039118	3	ChEMBL_627503 (CHEMBL1112645)	Binding affinity to kappa opioid receptor
50039118	4	ChEMBL_627495 (CHEMBL1111781)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50039118	5	ChEMBL_627496 (CHEMBL1111782)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50039118	6	ChEMBL_627497 (CHEMBL1111783)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50039118	7	ChEMBL_627498 (CHEMBL1111784)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane
50039120	1	ChEMBL_627735 (CHEMBL1115315)	Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting
50039120	2	ChEMBL_627737 (CHEMBL1116159)	Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting
50039121	1	ChEMBL_627749 (CHEMBL1116171)	Binding affinity to PPARgamma
50039121	2	ChEMBL_627745 (CHEMBL1116167)	Agonist activity at PPARgamma assessed as transcriptional activation
50039121	3	ChEMBL_627747 (CHEMBL1116169)	Inhibition of PPARgamma assessed as transcriptional activity
50039122	1	ChEMBL_623928 (CHEMBL1108053)	Inhibition of human neuraminidase 2
50039123	1	ChEMBL_626261 (CHEMBL1113508)	Agonist activity at human GAL4-tagged PPARalpha chimeric receptor expressed in HEK cells by transactivation assay
50039123	2	ChEMBL_626262 (CHEMBL1113509)	Agonist activity at human GAL4-tagged PPARgamma chimeric receptor expressed in HEK cells by transactivation assay
50039124	1	ChEMBL_625986 (CHEMBL1103505)	Displacement of [3H]histamine human recombinant histamine H4 receptor
50039124	2	ChEMBL_625969 (CHEMBL1103488)	Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay
50039124	3	ChEMBL_625971 (CHEMBL1103490)	Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity assay
50039124	4	ChEMBL_625973 (CHEMBL1103492)	Binding affinity to histamine H1 receptor
50039124	5	ChEMBL_625974 (CHEMBL1103493)	Binding affinity to histamine H2 receptor
50039124	6	ChEMBL_625975 (CHEMBL1103494)	Binding affinity to histamine H3 receptor
50039125	1	ChEMBL_627304 (CHEMBL1105450)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay
50039125	2	ChEMBL_627305 (CHEMBL1105451)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay
50039126	1	ChEMBL_627601 (CHEMBL1113607)	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR assay
50039126	2	ChEMBL_623749 (CHEMBL1114414)	Inhibition of rat TRPV1 at pH 5 to 5.5
50039126	3	ChEMBL_623754 (CHEMBL1114419)	Inhibition of human ERK1
50039126	4	ChEMBL_623720 (CHEMBL1115996)	Inhibition of rat TRPV1
50039126	5	ChEMBL_627603 (CHEMBL1113609)	Inhibition of human TRPV1
50001177	1	ChEMBL_1710847 (CHEMBL4120896)	Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by ITC assay
50001177	2	ChEMBL_1710848 (CHEMBL4120897)	Inhibition of Gal4-fused TEAD 1 (unknown origin) interaction with YAP expressed in human 293T cells by Dual-Glo luciferase reporter gene assay
50039127	3	ChEMBL_624022 (CHEMBL1116908)	Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method
50039127	4	ChEMBL_624020 (CHEMBL1116906)	Agonist activity at human recombinant MC5 receptor expressed in HEK293 cells assessed as cAMP accumulation by beta lactamase reporter gene assay
50001177	3	ChEMBL_1710846 (CHEMBL4120895)	Inhibition of human His-tagged YAP (50 to 171 residues) interaction with human GST-tagged TEAD1 (194 to 411) expressed in Escherichia coli BL21(DE3) incubated for 30 mins measured by SPR assay
50039127	5	ChEMBL_624023 (CHEMBL1116909)	Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting
50001177	4	ChEMBL_1710845 (CHEMBL4120894)	Binding affinity to human GST-tagged TEAD1 (194 to 411) expressed in Escherichia coli BL21(DE3) by SPR assay
50001180	1	ChEMBL_1710850 (CHEMBL4120899)	Binding affinity to recombinant HMGB1 A box region (1 to 89 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based assay
50001180	2	ChEMBL_1710849 (CHEMBL4120898)	Binding affinity to recombinant HMGB1 B box region (90 to 175 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based assay
50001180	3	ChEMBL_1710852 (CHEMBL4120901)	Binding affinity to N-terminal 6His-tagged HMGB1 AI region (1 to 87 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay
50001180	4	ChEMBL_1710853 (CHEMBL4120902)	Binding affinity to recombinant HMGB1 box A (unknown origin)
50001180	5	ChEMBL_1710854 (CHEMBL4120903)	Binding affinity to recombinant HMGB1 box B (unknown origin)
50001180	6	ChEMBL_1710855 (CHEMBL4120904)	Binding affinity to recombinant human 10His-tagged TLR4 (24 to 631 residues)/recombinant human 10His-tagged MD2 (17 to 160 residues) after 5 mins by SPR assay
50001180	7	ChEMBL_1710851 (CHEMBL4120900)	Binding affinity to N-terminal 6His-tagged HMGB1 Bj region (88 to 181 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay
50001180	8	ChEMBL_1710856 (CHEMBL4120905)	Binding affinity to human MD-2 (17 to 160 residues) assessed as reduction in MD-2 binding to human HMGB1 after 7 mins by SPR assay
50001181	1	ChEMBL_1710928 (CHEMBL4120977)	Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50039127	6	ChEMBL_624018 (CHEMBL1116904)	Agonist activity at human recombinant MC1 receptor expressed in HEK293 cells assessed as cAMP accumulation by enzyme fragment complementation assay
50001181	2	ChEMBL_1710933 (CHEMBL4120982)	Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase D197E mutant activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	3	ChEMBL_1710934 (CHEMBL4120983)	Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase D197E mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	4	ChEMBL_1710937 (CHEMBL4120986)	Inhibition of Influenza A virus (A/NWS/G70C(H1N9)) neuraminidase E119G mutant activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	5	ChEMBL_1710938 (CHEMBL4120987)	Inhibition of Influenza A virus (A/NWS/G70C(H1N9)) neuraminidase E119G mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	6	ChEMBL_1710932 (CHEMBL4120981)	Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	7	ChEMBL_1710918 (CHEMBL4120967)	Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase H274Y mutant using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	8	ChEMBL_1710919 (CHEMBL4120968)	Inhibition of Influenza A virus (A/California/07/09 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	9	ChEMBL_1710926 (CHEMBL4120975)	Inhibition of Influenza A virus (A/chicken/Bangli/BBVD-563/2007(H5N1)) clade 2 neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	10	ChEMBL_1710925 (CHEMBL4120974)	Inhibition of Influenza A virus (A/chicken/Bangli/BBVD-563/2007(H5N1)) clade 2 neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	11	ChEMBL_1710927 (CHEMBL4120976)	Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	12	ChEMBL_1710920 (CHEMBL4120969)	Inhibition of Influenza A virus (A/California/07/09 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50039128	1	ChEMBL_624272 (CHEMBL1106116)	Displacement of [3H]DEX from human glucocorticoid receptor
50039128	2	ChEMBL_624271 (CHEMBL1106115)	Displacement of fluoromone from human glucocorticoid receptor LBD assessed as reduction of maximum polarization by fluorescence polarization assay relative to control
50039129	1	ChEMBL_623313 (CHEMBL1115236)	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis
50039129	2	ChEMBL_623315 (CHEMBL1115238)	Noncompetitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method
50039129	3	ChEMBL_623314 (CHEMBL1115237)	Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method
50039130	1	ChEMBL_623482 (CHEMBL1113553)	Inhibition of bovine DHFR after 2 mins
50039130	2	ChEMBL_623483 (CHEMBL1113554)	Inhibition of human DHFR after 2 mins
50039131	1	ChEMBL_623541 (CHEMBL1117063)	Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay
50039131	2	ChEMBL_623539 (CHEMBL1116158)	Agonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells at < 500 uM by FMP red assay
50039132	1	ChEMBL_628923 (CHEMBL1116292)	Binding affinity to progesterone receptor
50039132	2	ChEMBL_628924 (CHEMBL1116293)	Binding affinity to androgen receptor
50039132	3	ChEMBL_628925 (CHEMBL1116294)	Binding affinity to glucocorticoid receptor
50039133	1	ChEMBL_630519 (CHEMBL1104791)	Inhibition of human Aurora A
50001181	13	ChEMBL_1710921 (CHEMBL4120970)	Inhibition of Influenza A virus (A/swine/Shepparton/6/2009 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	14	ChEMBL_1710922 (CHEMBL4120971)	Inhibition of Influenza A virus (A/swine/Shepparton/6/2009 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	15	ChEMBL_1710923 (CHEMBL4120972)	Inhibition of Influenza A virus (A/chicken/Vietnam/08/2004 (H5N1)) clade 1 neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	16	ChEMBL_1710916 (CHEMBL4120965)	Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	17	ChEMBL_1710931 (CHEMBL4120980)	Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50039133	3	ChEMBL_630547 (CHEMBL1108261)	Inhibition of IGF1R
50039133	4	ChEMBL_630548 (CHEMBL1108262)	Inhibition of LYN
50039133	5	ChEMBL_630533 (CHEMBL1104805)	Inhibition of MET
50039133	6	ChEMBL_630549 (CHEMBL1108263)	Inhibition of ROCK1
50039133	9	ChEMBL_630525 (CHEMBL1104797)	Competitive inhibition of Aurora C ATP binding site
50039133	11	ChEMBL_630543 (CHEMBL1105648)	Competitive inhibition of human Aurora C ATP binding site
50039133	13	ChEMBL_630528 (CHEMBL1104800)	Inhibition of FLT4
50039133	14	ChEMBL_630527 (CHEMBL1104799)	Inhibition of FLT1
50039133	15	ChEMBL_630529 (CHEMBL1104801)	Inhibition of TIE2
50039133	16	ChEMBL_630530 (CHEMBL1104802)	Inhibition of SIK
50039133	17	ChEMBL_630531 (CHEMBL1104803)	Inhibition of FGFR1
50039133	18	ChEMBL_630550 (CHEMBL1108264)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate
50039133	19	ChEMBL_630551 (CHEMBL1108265)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate
50039133	20	ChEMBL_630552 (CHEMBL1108266)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
50039133	21	ChEMBL_630553 (CHEMBL1108267)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate
50039133	22	ChEMBL_630554 (CHEMBL1108268)	Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate
50001181	18	ChEMBL_1710935 (CHEMBL4120984)	Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50001181	19	ChEMBL_1710936 (CHEMBL4120985)	Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50039134	1	ChEMBL_631259 (CHEMBL1114666)	Agonist activity at glucocorticoid receptor in human fibroblast assessed as inhibition of IL-1-beta-induced IL6 production treated 1 hr before IL1-beta challenge measured after 24 hrs by transrepression assay
50039134	2	ChEMBL_631258 (CHEMBL1114665)	Binding affinity to human glucocorticoid receptor by fluorescence polarization competitive binding assay
50039134	3	ChEMBL_631261 (CHEMBL1114668)	Agonist activity at glucocorticoid receptor in human MDA-kb2 cells transfected with MMTV-LUC assessed as induction of MMTV-LTR/promoter linked LUC gene by luciferase transactivation assay
50039134	4	ChEMBL_631263 (CHEMBL1117343)	Inhibition of human ERG by patch clamp method
50039135	1	ChEMBL_631458 (CHEMBL1111995)	Inhibition of human recombinant CYP3A4
50039136	1	ChEMBL_631479 (CHEMBL1114713)	Inhibition of rabbit muscle glycogen phosphorylase inactive form b
50039137	3	ChEMBL_631967 (CHEMBL1104723)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane
50039137	4	ChEMBL_631975 (CHEMBL1107423)	Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins by microplate luminescence assay
50001181	20	ChEMBL_1710915 (CHEMBL4120964)	Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50001181	21	ChEMBL_1710917 (CHEMBL4120966)	Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase H274Y mutant using 4-MUNANA as substrate measured every min for 60 mins by fluorescence assay
50039137	6	ChEMBL_631977 (CHEMBL1107425)	Displacement of [(3)H]U69593 from mu opioid receptor
50001181	22	ChEMBL_1710924 (CHEMBL4120973)	Inhibition of Influenza A virus (A/chicken/Vietnam/08/2004 (H5N1)) clade 1 neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay
50039137	7	ChEMBL_631958 (CHEMBL1104714)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting
50001182	1	ChEMBL_1711073 (CHEMBL4121122)	Displacement of (S)-N1-((19S,22S)-26-Amino-19-carbamoyl-1-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)-1,13,21-trioxo-5,8,11-trioxa-2,14,20-triazahexacosan-22-yl)-2-((2S,5S,8S,11S,14S,17S,20S,23S,26S)-2-(3-amino-3-oxopropyl)-5,20-bis(4-aminobutyl)-14-benzyl-23-((S)-sec-butyl)-11-(hydroxymethyl)-8,17-diisobutyl-26-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24,27-nonaazanonacosanamido)pentanediamide from recombinant N-terminal His6-tagged human DCN1 (58 to 259 residues) expressed in Escherichia coli Rosetta2 cells after 30 mins by fluorescence polarization assay
50039138	2	ChEMBL_632197 (CHEMBL1106530)	Inhibition of human ERG by patch clamp electrophysiology
50001182	2	ChEMBL_1711074 (CHEMBL4121123)	Binding affinity to biotin labeled recombinant N-terminal His6-tagged human DCN1 (58 to 259 residues) expressed in Escherichia coli Rosetta2 cells by biolayer interferometry analysis
50039141	1	ChEMBL_632271 (CHEMBL1110133)	Inhibition of recombinant DPP4
50039141	2	ChEMBL_632266 (CHEMBL1110128)	Inhibition of DPP4
50039141	3	ChEMBL_632268 (CHEMBL1110130)	Inhibition of prolidase
50039141	4	ChEMBL_632269 (CHEMBL1110131)	Inhibition of carboxypeptidase P
50039141	5	ChEMBL_632276 (CHEMBL1110138)	Inhibition of proline iminopeptidase)
50039141	6	ChEMBL_632264 (CHEMBL1110126)	Inhibition of human recombinant POP
50039141	7	ChEMBL_632256 (CHEMBL1110118)	Inhibition of pig POP
50039141	8	ChEMBL_632261 (CHEMBL1110123)	Inhibition of pig kidney POP
50039141	9	ChEMBL_632258 (CHEMBL1110120)	Inhibition of bovine brain POP
50039141	10	ChEMBL_632263 (CHEMBL1110125)	Inhibition of human placenta POP
50039141	11	ChEMBL_632257 (CHEMBL1110119)	inhibition of rat cortex POP
50039141	12	ChEMBL_632260 (CHEMBL1110122)	Inhibition of mouse brain POP
50039141	13	ChEMBL_632259 (CHEMBL1110121)	Inhibition of pig brain POP
50039141	14	ChEMBL_632262 (CHEMBL1110124)	Inhibition of human platelet POP
50039141	15	ChEMBL_632520 (CHEMBL1111168)	Inhibition of POP in human PBMC
50039141	16	ChEMBL_632255 (CHEMBL1110117)	Inhibition of POP in rat brain homogenate
50039141	17	ChEMBL_632265 (CHEMBL1110127)	Inhibition of human POP
50039141	18	ChEMBL_632521 (CHEMBL1111169)	Inhibition of rat brain POP
50039141	19	ChEMBL_632273 (CHEMBL1110135)	Inhibition of Flavobacterium meningosepticum POP
50039141	20	ChEMBL_632270 (CHEMBL1110132)	Inhibition of recombinant POP
50039141	21	ChEMBL_632272 (CHEMBL1110134)	Inhibition of recombinant FAPalpha
50039142	1	ChEMBL_630616 (CHEMBL1108330)	Inhibition of Electric eel AChE after 2 mins by colorimetric Ellman assay
50039142	2	ChEMBL_630617 (CHEMBL1108331)	Inhibition of Equine serum BChE after 2 mins by colorimetric Ellman assay
50039144	1	ChEMBL_631615 (CHEMBL1106609)	Inhibition of carbonic anhydrase 4
50039144	2	ChEMBL_631614 (CHEMBL1106608)	Inhibition of carbonic anhydrase 2
50039145	1	ChEMBL_631838 (CHEMBL1111909)	Agonist activity at rat BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay
50039145	2	ChEMBL_631840 (CHEMBL1111911)	Agonist activity at human BRS3 expressed in HEK293AEQ cells after 10 mins by aequorin bioluminescence assay
50039146	1	ChEMBL_631856 (CHEMBL1111927)	Inhibition of human DNA topoisomerase 2-mediated relaxation of supercoiled DNA by gel electrophoresis
50039146	2	ChEMBL_631855 (CHEMBL1111926)	Inhibition of human DNA topoisomerase 1-mediated relaxation of supercoiled DNA by gel electrophoresis
50039146	3	ChEMBL_632034 (CHEMBL1110076)	Inhibition of human DNA topoisomerase 1 at free enzyme state
50039146	4	ChEMBL_631867 (CHEMBL1111938)	Inhibition of rat liver DNA topoisomerase 1 preincubated before addition of DNA
50039146	5	ChEMBL_631869 (CHEMBL1111940)	Inhibition of rat liver DNA topoisomerase 1 treated simultaneously with DNA
50039147	1	ChEMBL_629233 (CHEMBL1121347)	Antagonist activity at AR in human LNCAP cells assessed as effect on cell proliferation after 6 days
50039147	2	ChEMBL_629235 (CHEMBL1121349)	Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed as effect on cell proliferation after 6 days
50039147	3	ChEMBL_629229 (CHEMBL1121343)	Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 hrs by scintillation counting
50039148	1	ChEMBL_629937 (CHEMBL1109181)	Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chemiluminescence assay
50039148	2	ChEMBL_629938 (CHEMBL1109182)	Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chemiluminescence assay
50039149	1	ChEMBL_630915 (CHEMBL1113907)	Inhibition of human recombinant HDAC8
50039149	2	ChEMBL_630913 (CHEMBL1113905)	Inhibition of human recombinant HDAC2
50039149	3	ChEMBL_630914 (CHEMBL1113906)	Inhibition of human recombinant HDAC6
50039150	1	ChEMBL_631176 (CHEMBL1109110)	Inhibition of human FPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting
50039150	2	ChEMBL_631184 (CHEMBL1110033)	Inhibition of GGPPS after 10 mins using [14C]IPP as substrate by liquid scintillation counting
50039151	2	ChEMBL_632181 (CHEMBL1106514)	Inhibition of human ERG expressed by patch clam electrophysiology assay
50001183	1	ChEMBL_1711133 (CHEMBL4121182)	Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and CD25 after 18 hrs
50001184	1	ChEMBL_1711142 (CHEMBL4121191)	Inhibition of N-terminal SUMO-tagged ULK1 kinase domain (1 to 283 residues) (unknown origin) using MBP as substrate in presence of [32P]ATP after 15 to 30 mins by phosphor screen imaging method
50001184	2	ChEMBL_1711143 (CHEMBL4121192)	Inhibition of GST-tagged ULK1 (unknown origin)
50001184	3	ChEMBL_1711144 (CHEMBL4121193)	Inhibition of GST-tagged ULK2 (unknown origin)
50001184	4	ChEMBL_1711145 (CHEMBL4121194)	Activation of recombinant human N-terminal GST-tagged ULK1 (1 to 649 residues) expressed in baculovirus infected Sf9 cells using MBP as substrate after 60 mins by ADP-Glo assay
50001185	1	ChEMBL_1711153 (CHEMBL4121202)	Binding affinity to ATP-binding site of ERK2 (unknown origin) by surface plasmon resonance method
50039152	1	ChEMBL_629329 (CHEMBL1104009)	Displacement of [3H]AMPA from rat iGluR2 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting
50039152	2	ChEMBL_629330 (CHEMBL1104010)	Displacement of [3H]SYM2081 from rat iGluR5 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting
50039152	3	ChEMBL_629331 (CHEMBL1104011)	Displacement of [3H]SYM2081 from rat iGluR6 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting
50039152	4	ChEMBL_629332 (CHEMBL1104012)	Displacement of [3H]SYM2081 from rat iGluR7 receptor expressed in Sf9 cells baculovirus system after 1 to 2 hrs by liquid scintillation counting
50039152	5	ChEMBL_629334 (CHEMBL1104014)	Activity at recombinant iGluR2 receptor expressed in Xenopus laevis oocytes using holding potential of -15 to -20 mV by TEVC electrophysiology
50039152	6	ChEMBL_629336 (CHEMBL1104016)	Agonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as change in intracellular calcium levels by FLIPR assay
50039152	7	ChEMBL_629502 (CHEMBL1120791)	Antagonist activity at rat NR1/NR2A receptor expressed in BHK21 cells assessed as inhibition of (S)-Glu-induced intracellular calcium levels by FLIPR assay
50039153	1	ChEMBL_629508 (CHEMBL1120797)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells
50039153	2	ChEMBL_629506 (CHEMBL1120795)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50039153	3	ChEMBL_629507 (CHEMBL1120796)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50039153	4	ChEMBL_629517 (CHEMBL1120806)	Antagonist activity at adenosine A3 receptor in human U87MG cells assessed as inhibition of Cl-IB-MECA-mediated ERK1/2 phosphorylation after 30 mins by ELISA
50039153	5	ChEMBL_629514 (CHEMBL1120803)	Antagonist activity human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated [3H]cAMP accumulation treated 15 mins before NECA challenge measured after 30 mins by liquid scintillation spectrometry
50039153	6	ChEMBL_629515 (CHEMBL1120804)	Antagonist activity human recombinant adenosine A3 receptor expressed in CHO cells assessed as blockade of NECA-mediated inhibition of forskolin-stimulated [3H]cAMP production treated 15 mins before NECA challenge measured after 30 mins by liquid scintillation spectrometry
50039153	7	ChEMBL_629503 (CHEMBL1120792)	Inhibition of human adenosine A3 receptor
50039153	8	ChEMBL_629504 (CHEMBL1120793)	Inhibition of human adenosine A1 receptor
50039153	9	ChEMBL_629505 (CHEMBL1120794)	Inhibition of human adenosine A2A receptor
50039154	1	ChEMBL_629543 (CHEMBL1120961)	Binding affinity to dopamine D3 receptor
50039154	3	ChEMBL_629545 (CHEMBL1120963)	Inhibition of recombinant CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formation
50039154	4	ChEMBL_629557 (CHEMBL1120975)	Binding affinity to dopamine D4 receptor
50039154	5	ChEMBL_629558 (CHEMBL1120976)	Binding affinity to adrenergic alpha2c receptor
50039154	6	ChEMBL_629559 (CHEMBL1120977)	Binding affinity to adrenergic alpha2A receptor
50039154	8	ChEMBL_629565 (CHEMBL1120983)	Inhibition of CYP3A4
50039154	9	ChEMBL_629566 (CHEMBL1120984)	Binding affinity to pregnane receptor in human hepatocytes
50039155	1	ChEMBL_630232 (CHEMBL1105634)	Inhibition of human placental microsome CYP19
50039156	1	ChEMBL_630265 (CHEMBL1106474)	Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay
50039157	1	ChEMBL_633026 (CHEMBL1118251)	Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in membrane currents
50039157	2	ChEMBL_633011 (CHEMBL1118236)	Activation of human TRPA1 channel
50039157	3	ChEMBL_633031 (CHEMBL1118499)	Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isothiocyanate-induced intracellular calcium influx
50039157	4	ChEMBL_633032 (CHEMBL1118500)	Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isothiocyanate-induced currents
50039157	5	ChEMBL_633033 (CHEMBL1118501)	Antagonist activity at human TRPA1 channel assessed as inhibition of noxious cold-induced receptor activation
50039157	6	ChEMBL_633028 (CHEMBL1118253)	Antagonist activity at TRPA1 channel assessed as inhibition of mustard oil-induced currents
50039157	7	ChEMBL_633030 (CHEMBL1118255)	Antagonist activity at human TRPA1 channel assessed as inhibition of thymol-induced response
50039157	8	ChEMBL_633022 (CHEMBL1118247)	Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in intracellular calcium influx
50039157	9	ChEMBL_633008 (CHEMBL1118233)	Antagonist activity at human TRPA1 channel assessed as inhibition of URB597-induced intracellular calcium influx
50039157	10	ChEMBL_633034 (CHEMBL1118734)	Antagonist activity at human TRPA1 channel assessed as inhibition of 4-hydroxy-2-nonenal-induced response
50039157	11	ChEMBL_633035 (CHEMBL1118735)	Antagonist activity at human TRPA1 channel assessed as inhibition of cynnamaldehyde-induced response
50039157	12	ChEMBL_633036 (CHEMBL1118736)	Antagonist activity at human TRPA1 channel assessed as inhibition of trinitrophenol-induced response
50039157	13	ChEMBL_633037 (CHEMBL1118737)	Antagonist activity at human TRPA1 channel assessed as inhibition of hypertonic solution of 400 mOsm-induced response
50039157	14	ChEMBL_633038 (CHEMBL1118738)	Antagonist activity at human TRPA1 channel assessed as inhibition of formalin-induced intracellular calcium influx
50039157	15	ChEMBL_633039 (CHEMBL1118739)	Antagonist activity at human TRPA1 channel expressed in HEK293 cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx by FLIPR
50039157	16	ChEMBL_633040 (CHEMBL1118740)	Antagonist activity at human TRPA1 channel expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular calcium influx by FLIPR
50039157	17	ChEMBL_633009 (CHEMBL1118234)	Antagonist activity at human TRPA1 channel assessed as inhibition of nifedipine-induced intracellular calcium influx
50039157	18	ChEMBL_633007 (CHEMBL1118232)	Antagonist activity at human TRPV1 channel
50039157	19	ChEMBL_633006 (CHEMBL1118231)	Antagonist activity at human TRPV3 channel
50039157	20	ChEMBL_633005 (CHEMBL1118230)	Antagonist activity at human TRPV4 channel
50039157	21	ChEMBL_632999 (CHEMBL1118224)	Antagonist activity at human TRPM8 channel
50039157	22	ChEMBL_633010 (CHEMBL1118235)	Activation of mouse TRPA1 channel
50039157	23	ChEMBL_633002 (CHEMBL1118227)	Antagonist activity at TRPA1 channel
50039157	24	ChEMBL_633001 (CHEMBL1118226)	Antagonist activity at human TRPA1 channel expressed in CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx
50039157	25	ChEMBL_633000 (CHEMBL1118225)	Antagonist activity at mouse TRPA1 channel expressed in CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx
50039157	26	ChEMBL_633017 (CHEMBL1118242)	Activation of TRPA1 channel
50039157	27	ChEMBL_633013 (CHEMBL1118238)	Agonist activity at human TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levels
50039157	28	ChEMBL_633015 (CHEMBL1118240)	Activation of TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levels
50039157	29	ChEMBL_633016 (CHEMBL1118241)	Activation of TRPV1 channel
50039157	30	ChEMBL_633020 (CHEMBL1118245)	Agonist activity at TRPA1 channel in mouse dorsal root ganglion cells assessed as increase in intracellular calcium influx by radiometric Ca2+ imaging
50039157	31	ChEMBL_633018 (CHEMBL1118243)	Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx
50039157	32	ChEMBL_633019 (CHEMBL1118244)	Agonist activity at mouse TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx
50039157	34	ChEMBL_633021 (CHEMBL1118246)	Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx
50039157	35	ChEMBL_633023 (CHEMBL1118248)	Agonist activity at human TRPA1 channel in HEK293 cells assessed as increase in intracellular calcium influx by radiometric Ca2+ imaging
50039157	36	ChEMBL_633024 (CHEMBL1118249)	Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx
50039157	37	ChEMBL_633025 (CHEMBL1118250)	Activation of TRPM8 channel
50039157	38	ChEMBL_633012 (CHEMBL1118237)	Activation of rat TRPV1 channel
50039158	1	ChEMBL_633068 (CHEMBL1118768)	Binding affinity to WDR5 expressed in pLysS cells by optimized fluorescent polarization based competitive binding assay
50039158	2	ChEMBL_633069 (CHEMBL1118769)	Binding affinity to WDR5 expressed in pLysS cells after 24 hrs by optimized fluorescent polarization based saturation binding assay
50039159	1	ChEMBL_633070 (CHEMBL1118770)	Inhibition of recombinant beta-glucocerebrosidase at pH 7.4 after 10 mins by fluorimetry
50039159	2	ChEMBL_633071 (CHEMBL1118771)	Inhibition of recombinant beta-glucocerebrosidase at pH 5.2 after 10 mins by fluorimetry
50039159	3	ChEMBL_633072 (CHEMBL1118256)	Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis
50039160	1	ChEMBL_633128 (CHEMBL1119012)	Inhibition of LSD1
50039160	2	ChEMBL_633127 (CHEMBL1119011)	Reversible Inhibition of LSD1
50039161	1	ChEMBL_633145 (CHEMBL1119029)	Inhibition of TNKS2
50039161	2	ChEMBL_633146 (CHEMBL1119030)	Inhibition of TNKS1
50039161	3	ChEMBL_633147 (CHEMBL1119031)	Binding affinity to TNKS2
50039161	4	ChEMBL_633148 (CHEMBL1119032)	Binding affinity to TNKS1
50039161	5	ChEMBL_633153 (CHEMBL1119037)	Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli by isothermal titration calorimetry
50039161	6	ChEMBL_633154 (CHEMBL1119038)	Binding affinity to human recombinant TNSK1 expressed in Escherichia coli by isothermal titration calorimetry
50039161	7	ChEMBL_633155 (CHEMBL1119039)	Binding affinity to PARP1 by isothermal titration calorimetry
50001185	2	ChEMBL_1711154 (CHEMBL4121203)	Binding affinity to ATP-binding site of ERK2 (unknown origin) by isothermal titration calorimetry
50039162	2	ChEMBL_633181 (CHEMBL1118618)	Inhibition of human recombinant Aurora C expressed in baculovirus system
50039162	3	ChEMBL_633184 (CHEMBL1118621)	Inhibition of CYP1A2 from human liver microsome by LC-MS/MS analysis
50039162	5	ChEMBL_633186 (CHEMBL1118623)	Inhibition of CYP2C9 from human liver microsome by LC-MS/MS analysis
50039162	6	ChEMBL_633187 (CHEMBL1118843)	Inhibition of CYP2C19 from human liver microsome by LC-MS/MS analysis
50039162	7	ChEMBL_633188 (CHEMBL1118844)	Inhibition of CYP2D6 from human liver microsome by LC-MS/MS analysis
50039162	8	ChEMBL_633189 (CHEMBL1118845)	Inhibition of CYP3A4 from human liver microsome by LC-MS/MS analysis
50039162	9	ChEMBL_633190 (CHEMBL1118846)	Inhibition of human ERG
50039162	10	ChEMBL_633156 (CHEMBL1119040)	Inhibition of human recombinant Aurora A expressed in baculovirus system
50039163	1	ChEMBL_633195 (CHEMBL1118851)	Inhibition of aromatase from human placental microsomes
50039163	2	ChEMBL_633197 (CHEMBL1118853)	Inhibition of human CYP17 expressed in Escherichia coli
50039164	1	ChEMBL_633199 (CHEMBL1118855)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in human HeLa cells
50039164	2	ChEMBL_633200 (CHEMBL1118856)	Antagonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as inhibition of alpha-Me-serotonin-induced intracellular calcium mobilization by spectrophotometry
50039164	3	ChEMBL_633201 (CHEMBL1118857)	Antagonist activity at human 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP release
50039164	4	ChEMBL_633206 (CHEMBL1118862)	Binding affinity to 5HT6 receptor
50039164	5	ChEMBL_633207 (CHEMBL1118863)	Antagonist activity at 5HT6 receptor
50039165	1	ChEMBL_633224 (CHEMBL1119431)	Agonist activity at ERbeta expressed in yeast assessed as alpha-galactosidase activity
50039165	2	ChEMBL_633227 (CHEMBL1119434)	Agonist activity at ERalpha expressed in yeast assessed as alpha-galactosidase activity
50039165	3	ChEMBL_633226 (CHEMBL1119433)	Antagonist activity at ERalpha expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity
50039165	4	ChEMBL_633223 (CHEMBL1119430)	Antagonist activity at ERbeta expressed in yeast assessed as inhibition of E2-induced alpha-galactosidase activity
50039165	5	ChEMBL_633230 (CHEMBL1119437)	Agonist activity at ERalpha expressed in CHO-K1 cells by luciferase reporter gene transactivation assay
50039165	6	ChEMBL_633231 (CHEMBL1119438)	Agonist activity at ERbeta expressed in CHO-K1 cells by luciferase reporter gene transactivation assay
50039166	1	ChEMBL_633233 (CHEMBL1119440)	Inhibition of Bacillus anthracis nicotinate-nucleotide adenosyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite green reagent method
50039166	2	ChEMBL_633234 (CHEMBL1119441)	Inhibition of Bacillus anthracis nicotinate-nucleotide adenosyltransferase preincubated for 5 mins before addition of ATP substrate by malachite green reagent method
50039166	3	ChEMBL_633236 (CHEMBL1119563)	Inhibition of Bacillus anthracis nicotinate-nucleotide adenosyltransferase preincubated for 5 mins before addition of substrate by malachite green reagent method
50039167	1	ChEMBL_633293 (CHEMBL1119997)	Inhibition of CYP2C9 in human liver microsome by LC-MS/MS analysis
50039167	2	ChEMBL_633292 (CHEMBL1119996)	Binding affinity to human ERG
50039168	1	ChEMBL_633480 (CHEMBL1119292)	Inhibition of dynamin 1-mediated synaptic vesicle endocytosis in Sprague-Dawley rat synaptosomes assessed as uptake of FM 4-64 dye after 30 mins by automated acquisition and analysis system
50039168	2	ChEMBL_633477 (CHEMBL1119289)	Inhibition of recombinant dynamin 2 expressed in Sf9 cells after 30 mins by malachite green method
50039169	1	ChEMBL_633486 (CHEMBL1119298)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50001186	1	ChEMBL_1711161 (CHEMBL4121210)	Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 20 mins in presence of NAD+ by resazurin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50039169	3	ChEMBL_633488 (CHEMBL1119300)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039170	1	ChEMBL_633497 (CHEMBL1119694)	Inhibition of human LAL after 30 mins by fluorescence assay
50039171	1	ChEMBL_633508 (CHEMBL1119822)	Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in CHO cells after 3 hrs by scintillation counting
50039171	2	ChEMBL_633509 (CHEMBL1119823)	Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expressed in CHO cells after 20 hrs by scintillation counting
50039171	3	ChEMBL_633510 (CHEMBL1119824)	Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells after 3 hrs by scintillation counting
50039171	4	ChEMBL_633511 (CHEMBL1119825)	Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins by FLIPR assay
50039171	5	ChEMBL_633512 (CHEMBL1119826)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins by FLIPR assay
50039172	1	ChEMBL_633729 (CHEMBL1119100)	Inhibition of equine serum BuChE by Ellman's method
50039172	2	ChEMBL_633735 (CHEMBL1119106)	Inhibition of AChE (unknown orign) by Lineweaver-Burke plot
50039172	3	ChEMBL_633730 (CHEMBL1119101)	Inhibition of AChE in human erythrocytes by Ellman's method
50039172	4	ChEMBL_633731 (CHEMBL1119102)	Inhibition of electric eel AChE by Ellman's method
50039172	5	ChEMBL_633736 (CHEMBL1119107)	Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader
50039173	1	ChEMBL_635150 (CHEMBL1119972)	Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100
50039173	2	ChEMBL_635149 (CHEMBL1119971)	Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100
50001186	2	ChEMBL_1711159 (CHEMBL4121208)	Inhibition of His6-tagged pET28a human PHGDH expressed in Escherichia coli using 3-phosphoglycerate as substrate preincubated for 30 mins followed by substrate addition in presence of PSAT1 by NADH fluorescence assay
50039174	1	ChEMBL_634831 (CHEMBL1120081)	Inhibition of ROCK2 by luciferase based ATP detection assay
50039174	2	ChEMBL_634834 (CHEMBL1120084)	Inhibition of PRKG2
50039174	3	ChEMBL_634835 (CHEMBL1120085)	Inhibition of PRKCL2
50039174	4	ChEMBL_634836 (CHEMBL1120086)	Inhibition of PRKCE
50039174	5	ChEMBL_634837 (CHEMBL1120087)	Inhibition of CDC42
50039175	1	ChEMBL_634882 (CHEMBL1120514)	Displacement of [3H]dofetilide from human ERG
50039175	2	ChEMBL_634880 (CHEMBL1120512)	Inhibition of CYP2D6
50039175	3	ChEMBL_634877 (CHEMBL1120509)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay
50039175	4	ChEMBL_634878 (CHEMBL1120510)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay
50039175	5	ChEMBL_634879 (CHEMBL1120511)	Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assay
50039175	6	ChEMBL_634885 (CHEMBL1120517)	Binding affinity to 5HT7 receptor
50039175	7	ChEMBL_634898 (CHEMBL1120625)	Inhibition of CYP3A4
50039176	1	ChEMBL_635029 (CHEMBL1118580)	Inhibition of full length human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	2	ChEMBL_635030 (CHEMBL1118581)	Inhibition of full length human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	3	ChEMBL_635031 (CHEMBL1118582)	Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	4	ChEMBL_635032 (CHEMBL1118583)	Inhibition of full length human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	5	ChEMBL_635033 (CHEMBL1118584)	Inhibition of full length human carbonic anhydrase 5a preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	6	ChEMBL_635034 (CHEMBL1118585)	Inhibition of full length human carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	7	ChEMBL_635035 (CHEMBL1118586)	Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	8	ChEMBL_635036 (CHEMBL1118587)	Inhibition of full length human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	9	ChEMBL_635037 (CHEMBL1118588)	Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	10	ChEMBL_635038 (CHEMBL1118589)	Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	11	ChEMBL_635039 (CHEMBL1118590)	Inhibition of full length mouse carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	12	ChEMBL_635040 (CHEMBL1118591)	Inhibition of full length human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039176	13	ChEMBL_635041 (CHEMBL1118592)	Inhibition of full length mouse carbonic anhydrase 15 preincubated for 15 mins by CO2 hydration stopped-flow assay
50039177	1	ChEMBL_635106 (CHEMBL1119416)	Inhibition of carbonic anhydrase 2
50039177	2	ChEMBL_635088 (CHEMBL1119398)	Inhibition of human carbonic anhydrase 1
50039177	3	ChEMBL_635089 (CHEMBL1119399)	Inhibition of human carbonic anhydrase 2
50039177	4	ChEMBL_635090 (CHEMBL1119400)	Inhibition of human carbonic anhydrase 9
50039178	1	ChEMBL_636739 (CHEMBL1167028)	Inhibition of human 12-lipoxygenase
50039178	2	ChEMBL_636732 (CHEMBL1167021)	Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis spectrometry
50039178	3	ChEMBL_636733 (CHEMBL1167022)	Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vis spectrometry
50039178	4	ChEMBL_636734 (CHEMBL1167023)	Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry
50039178	5	ChEMBL_636738 (CHEMBL1167027)	Inhibition of human 15-lipoxygenase
50039179	1	ChEMBL_638981 (CHEMBL1168964)	Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of 5-hydroxyeicosatetraenoic acid production by HPLC method
50039179	2	ChEMBL_638986 (CHEMBL1168969)	Inhibition of COX2 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method
50039179	3	ChEMBL_638980 (CHEMBL1168963)	Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production by HPLC method
50039179	4	ChEMBL_638984 (CHEMBL1168967)	Inhibition of COX1 in human whole blood assessed as inhibition of 12-hydroxyheptadecatrienoic acid production by HPLC method
50039179	5	ChEMBL_638976 (CHEMBL1168959)	Inhibition of 5-lipoxygenase in human whole blood
50039179	6	ChEMBL_638977 (CHEMBL1168960)	Inhibition of COX1 in human whole blood
50039179	7	ChEMBL_638978 (CHEMBL1168961)	Inhibition of COX2 in human whole blood
50039180	1	ChEMBL_639015 (CHEMBL1166153)	Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase after overnight incubation at room temperature by VP-ITC microcalorimetry
50039180	2	ChEMBL_639011 (CHEMBL1169125)	Inhibition of Plasmodium falciparum uridine 5'-monophosphate synthase after overnight incubation at room temperature by VP-ITC microcalorimetry
50039180	3	ChEMBL_639016 (CHEMBL1166154)	Inhibition of Saccharomyces cerevisia uridine 5'-monophosphate synthase
50039181	1	ChEMBL_639020 (CHEMBL1166158)	Inhibition of HDAC2 after 10 mins by fluorometric assay
50039181	2	ChEMBL_639021 (CHEMBL1166159)	Inhibition of HDAC3 after 10 mins by fluorometric assay
50039181	3	ChEMBL_639022 (CHEMBL1166160)	Inhibition of HDAC6 after 10 mins by fluorometric assay
50039181	4	ChEMBL_639139 (CHEMBL1167400)	Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay
50039182	1	ChEMBL_639158 (CHEMBL1167419)	Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase
50039183	1	ChEMBL_639163 (CHEMBL1167424)	Inhibition of bovine lens aldose reductase
50039184	1	ChEMBL_639378 (CHEMBL1167758)	Inhibition of Mycobacterium tuberculosis PTPA-mediated pNPP hydrolysis
50039184	2	ChEMBL_639375 (CHEMBL1167755)	Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA
50039184	3	ChEMBL_639452 (CHEMBL1168592)	Inhibition of human PTP1B
50039184	4	ChEMBL_639377 (CHEMBL1167757)	Inhibition of N-terminal histidine-tagged Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence assay
50039184	5	ChEMBL_639376 (CHEMBL1167756)	Inhibition of Mycobacterium tuberculosis PTPA
50039185	1	ChEMBL_638038 (CHEMBL1166941)	Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay
50039186	1	ChEMBL_639058 (CHEMBL1166311)	Inhibition of HDAC3
50039186	2	ChEMBL_639059 (CHEMBL1166312)	Inhibition of HDAC6
50039186	3	ChEMBL_639060 (CHEMBL1166313)	Inhibition of HDAC8
50039186	4	ChEMBL_639056 (CHEMBL1166309)	Inhibition of HDAC1
50039186	5	ChEMBL_639057 (CHEMBL1166310)	Inhibition of HDAC2
50039187	1	ChEMBL_639431 (CHEMBL1168404)	Displacement of [125I]alpha-Bungarotoxin from alpha7 nAChR in rat cortical membrane
50039188	1	ChEMBL_639432 (CHEMBL1168405)	Binding affinity to kappa opioid receptor
50039189	1	ChEMBL_636190 (CHEMBL1168570)	Inhibition of ALK by time-resolved fluorescence assay
50039189	2	ChEMBL_636191 (CHEMBL1168571)	Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA
50039190	1	ChEMBL_637186 (CHEMBL1167160)	Displacement of [125I]angiotensin 2 from AT2 receptor in pig uterus membrane after 1.5 hrs by gamma counting
50039190	2	ChEMBL_637181 (CHEMBL1167155)	Binding affinity to AT1 receptor
50039190	3	ChEMBL_637182 (CHEMBL1167156)	Binding affinity to AT2 receptor
50039190	4	ChEMBL_637180 (CHEMBL1167154)	Displacement of [125I]angiotensin 2 from rat AT2 receptor expressed in african green monkey COS7 cells after 24 hrs
50039191	1	ChEMBL_637921 (CHEMBL1166107)	Antagonist activity at human progesterone receptor B expressed in african green monkey CV1 cells co-transfected with MMTV-Luc assessed as effect on progesterone-induced activity by luciferase reporter gene assay
50039191	2	ChEMBL_637920 (CHEMBL1166106)	Agonist activity at human progesterone receptor B expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by luciferase reporter gene assay
50001186	3	ChEMBL_1711158 (CHEMBL4121207)	Binding affinity to PHGDH (unknown origin) by surface plasma resonance method
50001186	4	ChEMBL_1711160 (CHEMBL4121209)	Inhibition of full-length PHGDH (unknown origin) using 3-phosphoglycerate as substrate after 60 mins in presence of NAD+ by resazurin fluorescence based PSAT1/diaphorase/PSPH coupled enzyme assay
50039191	15	ChEMBL_637918 (CHEMBL1166104)	Binding affinity to progesterone receptor
50039191	16	ChEMBL_637919 (CHEMBL1166105)	Binding affinity to androgen receptor
50039191	17	ChEMBL_637916 (CHEMBL1169307)	Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting
50039191	14	ChEMBL_637915 (CHEMBL1169306)	Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting
50039191	13	ChEMBL_637932 (CHEMBL1166288)	Antagonist activity at human ERbeta expressed in african green monkey CV1 cells co-transfected with ERE-MMTV-Luc by luciferase reporter gene assay
50039191	3	ChEMBL_637935 (CHEMBL1166291)	Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc by luciferase reporter gene assay
50039191	4	ChEMBL_637934 (CHEMBL1166290)	Antagonist activity at human glucocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc by luciferase reporter gene assay
50039191	7	ChEMBL_637933 (CHEMBL1166289)	Antagonist activity at human androgen receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc by luciferase reporter gene assay
50039191	5	ChEMBL_637930 (CHEMBL1166116)	Agonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by luciferase reporter gene assay
50039191	6	ChEMBL_637931 (CHEMBL1166117)	Antagonist activity at human ERalpha expressed in african green monkey CV1 cells co-transfected with ERE-MMTV-Luc by luciferase reporter gene assay
50039191	18	ChEMBL_637922 (CHEMBL1166108)	Displacement of [3H]E2 from human ERalpha after 16 hrs by scintillation counting
50039191	19	ChEMBL_637923 (CHEMBL1166109)	Displacement of [3H]E2 from human ERbeta after 16 hrs by scintillation counting
50039191	20	ChEMBL_637924 (CHEMBL1166110)	Displacement of [3H]dexamethasone from human glucocorticoid receptor after 16 hrs by scintillation counting
50039191	8	ChEMBL_637925 (CHEMBL1166111)	Displacement of [3H]aldosterone from human mineralocorticoid receptor after 16 hrs by scintillation counting
50039191	9	ChEMBL_637926 (CHEMBL1166112)	Agonist activity at human ERalpha expressed in african green monkey CV1 cells co-transfected with ERE-MMTV-Luc after 24 hrs by luciferase reporter gene assay
50039191	10	ChEMBL_637927 (CHEMBL1166113)	Agonist activity at human ERbeta expressed in african green monkey CV1 cells co-transfected with ERE-MMTV-Luc after 24 hrs by luciferase reporter gene assay
50039191	11	ChEMBL_637928 (CHEMBL1166114)	Agonist activity at human androgen receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by luciferase reporter gene assay
50039191	12	ChEMBL_637929 (CHEMBL1166115)	Agonist activity at human glucocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by luciferase reporter gene assay
50039192	1	ChEMBL_638412 (CHEMBL1167858)	Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry
50039193	1	ChEMBL_641529 (CHEMBL1175363)	Inhibition of human recombinant soluble Kexin isozyme 1
50039195	1	ChEMBL_640168 (CHEMBL1174568)	Inhibition of CYP2D6 by fluorescence based assay
50039196	1	ChEMBL_640176 (CHEMBL1174576)	Inhibition of CYP2C9
50039197	1	ChEMBL_640283 (CHEMBL1174608)	Inhibition of human FMS by fluorescence polarization
50039197	2	ChEMBL_640295 (CHEMBL1174620)	Inhibition of CYP2C9
50039197	3	ChEMBL_640296 (CHEMBL1174621)	Inhibition of CYP3A4
50039198	1	ChEMBL_640311 (CHEMBL1174636)	Displacement of PIFtide from His-tagged PDK1 by HTRF assay
50039199	1	ChEMBL_640313 (CHEMBL1174638)	Inhibition of human HDAC8
50039200	1	ChEMBL_640502 (CHEMBL1175151)	Inhibition of T-type CaV3.1 channel expressed in HEK293 cells assessed as inhibition of calcium current by manual patch-clamp assay
50039200	2	ChEMBL_640503 (CHEMBL1175152)	Inhibition of T-type CaV3.1 channel expressed in HEK293 cells assessed as inhibition of calcium current by automated patch-clamp assay
50039201	1	ChEMBL_640504 (CHEMBL1175153)	Inhibition of recombinant c-MET by HTRF assay
50039201	2	ChEMBL_640506 (CHEMBL1175155)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells
50039202	1	ChEMBL_640752 (CHEMBL1175693)	Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation counting
50001186	5	ChEMBL_1711166 (CHEMBL4121215)	Inhibition of PHGDH in human MDA-MB-468 cells assessed as decrease in serine flux
50001186	6	ChEMBL_1711168 (CHEMBL4121217)	Inhibition of PHGDH (unknown origin)
50001186	7	ChEMBL_1711169 (CHEMBL4121218)	Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate in presence of NAD+ by diaphorase/resazurin fluorescence based PHGDH uncoupled enzyme assay
50001186	8	ChEMBL_1711170 (CHEMBL4121219)	Inhibition of N-terminal His6-tagged human liver PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS using 3-phosphoglycerate as substrate after 20 mins in presence of NAD+ by PSAT1/PSPH coupled orthogonal PHGDH assay
50001187	1	ChEMBL_1711174 (CHEMBL4121223)	Binding affinity to recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr in presence of AR-C118925 by furimazine-based NanoBRET assay
50001187	2	ChEMBL_1711176 (CHEMBL4121225)	Displacement of N-(2-(2-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)amino)propanamido)ethoxy)ethoxy)ethyl)-6-(3-(5,5-difluoro-7,9-dimethyl-5H-4-lambda4,5-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl)propanamido)hexanamide from recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr by furimazine-based NanoBRET assay
50001187	3	ChEMBL_1711179 (CHEMBL4121228)	Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(3-(5,5-difluoro-7,9-dimethyl-5H-5-lambda4,6-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl)-propanamido)hexanamido)ethyl)amino)-3-oxopropyl)amino)-4Hbenzo[5,6]cyclohepta[1,2-d]thiazol-4-yl)-2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-N-(1H-tetrazol-5-yl)thiazole-4-carboxamide from human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr by furimazine-based NanoBRET assay
50039203	1	ChEMBL_640775 (CHEMBL1175767)	Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation counting
50039203	2	ChEMBL_640783 (CHEMBL1175775)	Binding affinity to histamine H3 receptor in rat brain
50039203	3	ChEMBL_640796 (CHEMBL1175788)	Displacement of radiolabeled astemizole from human ERG
50039203	4	ChEMBL_640798 (CHEMBL1175790)	Inhibition of human ERG by patch clamp technique
50039204	1	ChEMBL_639602 (CHEMBL1175135)	Binding affinity to OX2R
50039204	2	ChEMBL_639601 (CHEMBL1175134)	Binding affinity to OX1R
50039204	3	ChEMBL_639599 (CHEMBL1175132)	Antagonist activity at OX1R by FLIPR assay
50039204	4	ChEMBL_639600 (CHEMBL1175133)	Antagonist activity at OX2R by FLIPR assay
50039205	1	ChEMBL_639627 (CHEMBL1175305)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production
50039205	2	ChEMBL_639628 (CHEMBL1175306)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting
50039205	3	ChEMBL_639629 (CHEMBL1175307)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting
50039205	4	ChEMBL_639630 (CHEMBL1175308)	Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting
50039205	5	ChEMBL_639631 (CHEMBL1175309)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as increase of intracellular calcium level
50039205	6	ChEMBL_639632 (CHEMBL1175310)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as increase of intracellular calcium level
50039205	7	ChEMBL_639633 (CHEMBL1175311)	Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase of intracellular calcium level
50039205	8	ChEMBL_639634 (CHEMBL1175312)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase of intracellular calcium level
50039205	9	ChEMBL_639645 (CHEMBL1175383)	Binding affinity to adenosine A3 receptor
50039206	1	ChEMBL_639647 (CHEMBL1175385)	Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells
50039207	1	ChEMBL_639648 (CHEMBL1175386)	Inhibition of MEK1 by cascade assay method
50039208	1	ChEMBL_639725 (CHEMBL1175614)	Inhibition of CDK2
50039208	2	ChEMBL_639726 (CHEMBL1175615)	Inhibition of PDK1
50039209	1	ChEMBL_639730 (CHEMBL1175619)	Antagonist activity at P2Y1 expressed in HEK293 cells by FLIPR assay
50039209	2	ChEMBL_639731 (CHEMBL1175620)	Displacement of [33P]2-MeS-ADP from human P2Y1 receptor expressed in human U2OS cells by scintillation counting
50039210	2	ChEMBL_639789 (CHEMBL1175734)	Displacement of [125I]CCK-8(SO3) from human CCK2 receptor expressed in human HEK293 cells
50039210	3	ChEMBL_639788 (CHEMBL1175733)	Displacement of [125I]CCK-8(SO3) from human CCK1 receptor expressed in human HEK293 cells
50039210	4	ChEMBL_639787 (CHEMBL1175732)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells
50039210	5	ChEMBL_639790 (CHEMBL1175735)	Displacement of Eu-NDP-alphaMSH from human MC4 receptor expressed in human HEK293 cells
50039210	6	ChEMBL_639794 (CHEMBL1175739)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50039210	7	ChEMBL_639784 (CHEMBL1175729)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50039210	8	ChEMBL_639793 (CHEMBL1175738)	Antagonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of DPDPE-induced muscle contraction
50001187	4	ChEMBL_1711175 (CHEMBL4121224)	Displacement of N-(2-(3-((7-Chloro-4-(1-methyl-2-oxo-4-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-2-yl)-amino)propanamido)ethyl)-6-(3-(5,5-difluoro-7,9-dimethyl-5H-4-lamba4,5-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl)-propanamido)hexanamide from recombinant human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr by furimazine-based NanoBRET assay
50001187	5	ChEMBL_1711178 (CHEMBL4121227)	Displacement of (E)-2-((5-(7-Chloro-2-((3-((2-(6-(2-(4-(2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4-lambda4,5-lambda4-dipyrrolo[1,2-c:2,1-f ][1,3,2]diazaborinin-3-yl)-vinyl)phenoxy)acetamido)hexanamido)ethyl)amino)-3-oxopropyl)-amino)-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-4-yl)-2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-N-(1H-tetrazol-5-yl)-thiazole-4-carboxamide from human N-terminal NLuc-tagged P2Y2R expressed in human 1321N1 cells incubated for 1 hr by furimazine-based NanoBRET assay
50039211	1	ChEMBL_639807 (CHEMBL1175752)	Inhibition of Thermus aquaticus taq polymerase
50039211	2	ChEMBL_639808 (CHEMBL1175753)	Inhibition of human telomerase in human SGC7901 cells by TRAP assay
50039212	1	ChEMBL_639828 (CHEMBL1173843)	Inhibition of alpha-galactosidase green coffee beans
50039213	1	ChEMBL_639834 (CHEMBL1173849)	Inhibition of human cathepsin S
50039213	2	ChEMBL_639833 (CHEMBL1173848)	Inhibition of cathepsin S-mediated invariant chain degradation in human JY B-cells assessed as accumulation of p10 fragment by Western blot analysis
50039214	1	ChEMBL_639843 (CHEMBL1173858)	Agonist activity at human TPO receptor expressed in rat BaF3 cells
50039215	1	ChEMBL_639876 (CHEMBL1173891)	Inhibition of human MetAP1
50039215	2	ChEMBL_639878 (CHEMBL1173893)	Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells
50039216	1	ChEMBL_639915 (CHEMBL1173989)	Inhibition of CHK2 by DELFIA assay
50039216	2	ChEMBL_639916 (CHEMBL1173990)	Inhibition of GSK3-beta at 10 uM by mobility shift assay
50039216	3	ChEMBL_639910 (CHEMBL1173984)	Inhibition of ABL1 by Z-lite assay
50001188	1	ChEMBL_1711184 (CHEMBL4121233)	Inhibition of human ALR2
50001188	2	ChEMBL_1711186 (CHEMBL4121235)	Inhibition of ALK L1196M mutant (unknown origin)
50001189	1	ChEMBL_1711189 (CHEMBL4121238)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting method
50001189	2	ChEMBL_1711190 (CHEMBL4121239)	Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting method
50001189	3	ChEMBL_1711191 (CHEMBL4121240)	Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting method
50001189	4	ChEMBL_1711195 (CHEMBL4121244)	Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50001189	5	ChEMBL_1711196 (CHEMBL4121245)	Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50001189	6	ChEMBL_1711188 (CHEMBL4121237)	Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting method
50039217	2	ChEMBL_639941 (CHEMBL1174015)	Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-induced calcium elevation
50039218	1	ChEMBL_643312 (CHEMBL1177483)	Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50039218	2	ChEMBL_643311 (CHEMBL1177482)	Displacement of [3H] (R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50039218	3	ChEMBL_643315 (CHEMBL1177486)	Antagonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of RAHM-induced [35S]GTPgammaS binding after 1 hr by liquid scintillation counting
50039218	4	ChEMBL_643316 (CHEMBL1177487)	Displacement of [3H]rilamine from human histamine H1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50039218	5	ChEMBL_643317 (CHEMBL1177488)	Displacement of [125I]aminopotentidine from human histamine H2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting
50039218	6	ChEMBL_643318 (CHEMBL1177489)	Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting
50039219	1	ChEMBL_641610 (CHEMBL1176312)	Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular calcium levels by FLIPR assay
50039219	2	ChEMBL_641617 (CHEMBL1176319)	Antagonist activity at rat TRPV2 receptor
50039219	3	ChEMBL_641618 (CHEMBL1176320)	Antagonist activity at human TRPV3 receptor
50039219	4	ChEMBL_641619 (CHEMBL1176321)	Antagonist activity at human TRPV4 receptor
50039219	5	ChEMBL_641620 (CHEMBL1176322)	Antagonist activity at human TRPV1 receptor
50039219	6	ChEMBL_641621 (CHEMBL1176323)	Agonist activity at human TRPV1 receptor
50039219	7	ChEMBL_641622 (CHEMBL1176441)	Antagonist activity at human TRPM8 receptor
50039220	1	ChEMBL_641630 (CHEMBL1176449)	Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter gene assay
50039220	2	ChEMBL_641632 (CHEMBL1176640)	Inhibition of human Gli2 expressed in mouse C3H10T1/2 cells assessed as inhibition of transcriptional activity after 24 hrs by luciferase reporter gene assay
50039220	3	ChEMBL_641636 (CHEMBL1176644)	Inhibition of human Gli1-mediated transcriptional activity in human Rh30 cells after 24 hrs by luciferase reporter gene assay
50039221	1	ChEMBL_641964 (CHEMBL1176041)	Inhibition of prolyl oligopeptidase
50039222	1	ChEMBL_642099 (CHEMBL1176403)	Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting
50039222	2	ChEMBL_642098 (CHEMBL1176402)	Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting
50039223	1	ChEMBL_642145 (CHEMBL1176696)	Inhibition of Aurora A
50001189	7	ChEMBL_1711194 (CHEMBL4121243)	Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50039223	3	ChEMBL_642111 (CHEMBL1176415)	Inhibition of PDGFRalpha
50039223	4	ChEMBL_642157 (CHEMBL1176708)	Inhibition of KDR
50039223	5	ChEMBL_642156 (CHEMBL1176707)	Inhibition of VEGFR3
50039223	6	ChEMBL_642167 (CHEMBL1176718)	Inhibition of human PDGFRbeta phosphorylation in HUVEC cells after 24 hrs by Western blotting
50039223	7	ChEMBL_642159 (CHEMBL1176710)	Inhibition of cKIT
50039223	8	ChEMBL_642158 (CHEMBL1176709)	Inhibition of FLT3
50039224	1	ChEMBL_642168 (CHEMBL1176719)	Inhibition of human whole RBC AChE pretreated for 30 mins by Ellman technique
50039224	2	ChEMBL_642169 (CHEMBL1176720)	Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique
50039225	1	ChEMBL_642265 (CHEMBL1177145)	Inhibition of bovine kidney alpha L-fucosidase
50039226	1	ChEMBL_642273 (CHEMBL1177153)	Inhibition of interleukin-5 in mouse Y16 cells
50039226	2	ChEMBL_642275 (CHEMBL1177155)	Inhibition of interleukin-5
50039227	1	ChEMBL_642324 (CHEMBL1177350)	Inhibition cSRC
50039227	2	ChEMBL_642436 (CHEMBL1177629)	Inhibition cMet
50039227	3	ChEMBL_642434 (CHEMBL1177627)	Inhibition EphB2
50039227	4	ChEMBL_642432 (CHEMBL1177625)	Inhibition EphA2
50039227	5	ChEMBL_642430 (CHEMBL1177623)	Inhibition FGFR2
50039227	6	ChEMBL_642428 (CHEMBL1177621)	Inhibition FGFR1
50039227	7	ChEMBL_642337 (CHEMBL1177363)	Inhibition PDGFRbeta
50039227	8	ChEMBL_642335 (CHEMBL1177361)	Inhibition VEGFR1
50039227	9	ChEMBL_642333 (CHEMBL1177359)	Inhibition KDR
50039227	10	ChEMBL_642331 (CHEMBL1177357)	Inhibition ErbB2
50039227	11	ChEMBL_642329 (CHEMBL1177355)	Inhibition EGFR
50039227	12	ChEMBL_642327 (CHEMBL1177353)	Inhibition kit
50039227	13	ChEMBL_642323 (CHEMBL1177349)	Inhibition cABl
50039228	1	ChEMBL_642443 (CHEMBL1177399)	Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA
50039229	1	ChEMBL_642459 (CHEMBL1175832)	Binding affinity to bovine thrombin after 3 mins
50039230	1	ChEMBL_642463 (CHEMBL1175836)	Inhibition of human FBase
50039231	1	ChEMBL_642469 (CHEMBL1175842)	Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins
50039231	2	ChEMBL_642470 (CHEMBL1175843)	Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) by UV-vis microplate reader analysis
50039232	1	ChEMBL_642474 (CHEMBL1175847)	Inhibition of mushroom tyrosinase after 30 mins by spectrophotometric analysis
50039232	2	ChEMBL_642476 (CHEMBL1175849)	Inhibition of tyrosinase in human HEMn-MP assessed as reduction of melanin level after 2 days by spectrophotometric analysis
50039233	1	ChEMBL_642500 (CHEMBL1175873)	Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay
50039233	2	ChEMBL_642499 (CHEMBL1175872)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production
50039233	3	ChEMBL_642498 (CHEMBL1175871)	Binding affinity to 5HT6 receptor
50039234	1	ChEMBL_642593 (CHEMBL1176482)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting
50039234	2	ChEMBL_642591 (CHEMBL1176480)	Displacement of [125I]ABN from human dopamine D4 receptor expressed in HEK293 cells after 60 mins by gamma counting
50039234	3	ChEMBL_642590 (CHEMBL1176479)	Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting
50039234	4	ChEMBL_642589 (CHEMBL1176478)	Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting
50039235	1	ChEMBL_642602 (CHEMBL1176491)	Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization
50039236	1	ChEMBL_642624 (CHEMBL1176639)	Displacement of [125I]metastin from human GPR54 receptor expressed in CHO cells
50039236	2	ChEMBL_642625 (CHEMBL1176768)	Displacement of [125I]metastin from rat GPR54 receptor expressed in CHO cells
50039236	3	ChEMBL_642626 (CHEMBL1176769)	Antagonist activity at human GPR54 receptor assessed as inhibition of metastin-induced calcium mobilization
50039237	1	ChEMBL_642682 (CHEMBL1176974)	Inhibition of sheep 6PGDH expressed in Escherichia coli by spectroscopy
50039238	1	ChEMBL_642727 (CHEMBL1177207)	Inhibition of human recombinant His6x-tagged EGFR autophosphorylation expressed in Sf9 cells after 1 hr by ELISA
50039238	2	ChEMBL_642728 (CHEMBL1177208)	Inhibition of human recombinant His6x-tagged HER2 autophosphorylation expressed in Sf9 cells after 1 hr by ELISA
50039239	1	ChEMBL_642741 (CHEMBL1177221)	Inhibition of human cathepsin B
50039239	2	ChEMBL_642742 (CHEMBL1177222)	Inhibition of human cathepsin L
50039239	3	ChEMBL_642736 (CHEMBL1177216)	Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min
50039239	4	ChEMBL_642739 (CHEMBL1177219)	Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins
50039240	1	ChEMBL_642749 (CHEMBL1177229)	Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting
50039240	2	ChEMBL_642746 (CHEMBL1177226)	Inhibition of CYP24A1
50039240	4	ChEMBL_642748 (CHEMBL1177228)	Inhibition of human CYP24A1 expressed in chinese hamster V79 cells
50039241	1	ChEMBL_642826 (CHEMBL1177456)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method
50039241	2	ChEMBL_642827 (CHEMBL1177457)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method
50039241	3	ChEMBL_642828 (CHEMBL1177458)	Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method
50039241	4	ChEMBL_642829 (CHEMBL1177459)	Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method
50039242	1	ChEMBL_643222 (CHEMBL1177033)	Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting
50001189	8	ChEMBL_1711197 (CHEMBL4121246)	Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50001189	9	ChEMBL_1711200 (CHEMBL4121249)	Antagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by oxytocin addition measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50001189	10	ChEMBL_1711201 (CHEMBL4121250)	Antagonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium flux preincubated for 20 mins followed by AVP addition measured for 5 mins by Fluo-4-AM dye based FLIPR assay
50001190	1	ChEMBL_1711227 (CHEMBL4121276)	Transactivation of recombinant human N-terminal GAL4-DBD fused PPARgamma LBD expressed in reporter cells measured after 24 hrs by luciferase reporter gene assay
50001190	2	ChEMBL_1711228 (CHEMBL4121277)	Transactivation of recombinant human FFAR1 expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium flux measured after 20 secs for 100 secs by FLIPR assay
50001191	1	ChEMBL_1711272 (CHEMBL4121321)	Displacement of [125I]-ABMECA from recombinant human A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting method
50001191	2	ChEMBL_1711268 (CHEMBL4121317)	Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method
50039242	3	ChEMBL_643226 (CHEMBL1177037)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50001191	3	ChEMBL_1711270 (CHEMBL4121319)	Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method
50039243	1	ChEMBL_642076 (CHEMBL1176108)	Partial agonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation assay
50039243	2	ChEMBL_642079 (CHEMBL1176273)	Partial agonist activity at mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation assay
50039243	3	ChEMBL_642072 (CHEMBL1176104)	Partial agonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation assay
50039243	4	ChEMBL_642068 (CHEMBL1176100)	Antagonist activity at human PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced luciferase activity by transactivation assay
50039243	5	ChEMBL_642078 (CHEMBL1176110)	Antagonist activity at mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced luciferase activity by transactivation assay
50039243	6	ChEMBL_642067 (CHEMBL1176099)	Antagonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced luciferase activity by transactivation assay
50039244	1	ChEMBL_642202 (CHEMBL1176753)	Inhibition of human CYP3A4 after 10 mins
50039244	2	ChEMBL_642203 (CHEMBL1176754)	Inhibition of human CYP2D6 after 10 mins
50039244	3	ChEMBL_642204 (CHEMBL1176755)	Inhibition of human CYP2C19 after 10 mins
50039244	4	ChEMBL_642205 (CHEMBL1176756)	Inhibition of human CYP2C9 after 10 mins
50039244	5	ChEMBL_642206 (CHEMBL1176757)	Inhibition of human CYP1A2 after 10 mins
50039245	1	ChEMBL_642391 (CHEMBL1177584)	Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase
50001192	1	ChEMBL_1711276 (CHEMBL4121325)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using substrate pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay
50039245	2	ChEMBL_642392 (CHEMBL1177585)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells
50039245	3	ChEMBL_642393 (CHEMBL1177586)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells
50001192	2	ChEMBL_1711282 (CHEMBL4121331)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using substrate measured after 60 mins by Alphalisa assay
50039245	4	ChEMBL_642394 (CHEMBL1177587)	Inhibition of CYP19 in human placental microsomes
50001192	3	ChEMBL_1711278 (CHEMBL4121327)	Inhibition of recombinant human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 insect cells using peptide substrate pretreated for 15 mins followed by substrate/[3H]-SAM addition measured after 60 mins by scintillation proximity assay
50039245	5	ChEMBL_642395 (CHEMBL1177588)	Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes
50039246	1	ChEMBL_644688 (CHEMBL1211667)	Inhibition of Cathepsin D
50039246	2	ChEMBL_644687 (CHEMBL1211666)	Inhibition of BACE2
50001192	4	ChEMBL_1711284 (CHEMBL4121333)	Inhibition of full length recombinant human FLAG-tagged PRMT5/full length recombinant human His6-tagged MEP50 expressed in baculovirus infected Sf9 insect cells using biotinylated histone peptide as substrate in presence of [3H]-SAM by Topcount method
50001192	5	ChEMBL_1711283 (CHEMBL4121332)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using biotinylated H4 derived peptide as substrate pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by liquid scintillation counting method
50001192	6	ChEMBL_1711279 (CHEMBL4121328)	Inhibition of recombinant human N-terminal FLAG-tagged CARM1 (2 to end residues) expressed in HEK293F cells pretreated for 15 mins followed by substrate addition measured after 60 mins by Alphalisa assay
50001193	1	ChEMBL_1711298 (CHEMBL4121347)	Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluor assay
50001193	54	ChEMBL_1711304 (CHEMBL4121353)	Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr
50001193	3	ChEMBL_1711299 (CHEMBL4121348)	Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluor assay
50001193	7	ChEMBL_1711300 (CHEMBL4121349)	Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated transcriptional activity after 24 hrs by dual glo luciferase reporter gene assay
50001193	4	ChEBML_1711456	Displacement of [3H]LSD from human recombinant 5-HT7 receptor after 120 mins by scintillation counting analysis
50001193	5	ChEBML_1711467	Displacement of [3H]-imipramine from recombinant human 5-HT transporter after 60 mins by scintillation counting relative to control
50001193	6	ChEBML_1711299	Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluor assay
50039246	6	ChEMBL_644693 (CHEMBL1211672)	Inhibition of CYP1A2
50039246	7	ChEMBL_644694 (CHEMBL1211673)	Inhibition of CYP2C19
50039246	8	ChEMBL_644695 (CHEMBL1211674)	Inhibition of CYP2C9
50039246	9	ChEMBL_644696 (CHEMBL1211675)	Inhibition of CYP2D6
50039246	10	ChEMBL_644697 (CHEMBL1211676)	Inhibition of CYP3A4 using diethoxyfluorescein substrate
50001193	2	ChEMBL_1711310 (CHEMBL4121359)	Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL17A production
50001193	8	ChEBML_1711427	Displacement of [3H]7-OH-DPAT from human recombinant dopamine D2S receptor after 60 mins by scintillation counting analysis
50001193	9	ChEBML_1711431	Displacement of [125I]IL-8 from human recombinant CXCR2 receptor after 60 mins by scintillation counting analysis
50001193	10	ChEBML_1711435	Displacement of [125I]NDP-alpha -MSH from human recombinant MC4 receptor after 120 mins by scintillation counting analysis
50001193	11	ChEBML_1711438	Displacement of [3H]AF-DX 384 from human recombinant M2 receptor after 60 mins by scintillation counting analysis
50001193	12	ChEBML_1711442	Displacement of [125I]peptide YY from human Y1 receptor after 120 mins by scintillation counting analysis
50001193	13	ChEBML_1711446	Displacement of [3H]U69593 from human kappa receptor after 60 mins by scintillation counting analysis
50001193	14	ChEBML_1711298	Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluor assay
50039247	1	ChEMBL_643540 (CHEMBL1212404)	Displacement of [3H]DHT from AR in human MDA-MB-453 cells
50039247	2	ChEMBL_643543 (CHEMBL1212407)	Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay
50039247	3	ChEMBL_643541 (CHEMBL1212405)	Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay
50001193	55	ChEMBL_1711302 (CHEMBL4121351)	Inverse agonist activity at human GAL4 DBD-fused RORbeta LBD (201 to 452 residues) expressed in HEK293T cells assessed as reduction in ROR mediated transcriptional activity after 24 hrs by dual glo luciferase reporter gene assay
50001193	53	ChEMBL_1711457 (CHEMBL4121506)	Displacement of [125I]Tyr11-somatostatin-14 from mouse SST receptor after 60 mins by scintillation counting analysis
50039249	1	ChEMBL_643930 (CHEMBL1211829)	Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay
50039249	2	ChEMBL_643931 (CHEMBL1211830)	Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay
50039249	3	ChEMBL_643932 (CHEMBL1211831)	Inhibition of human recombinant carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay
50039249	4	ChEMBL_643933 (CHEMBL1211832)	Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay
50039249	5	ChEMBL_643934 (CHEMBL1211833)	Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay
50039249	6	ChEMBL_643935 (CHEMBL1211834)	Inhibition of mouse recombinant carbonic anhydrase 15 after 15 mins by stopped-flow CO2 hydration assay
50039249	7	ChEMBL_643923 (CHEMBL1211822)	Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay
50039249	8	ChEMBL_643924 (CHEMBL1211823)	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay
50039249	9	ChEMBL_643925 (CHEMBL1211824)	Inhibition of human recombinant carbonic anhydrase 3 after 15 mins by stopped-flow CO2 hydration assay
50039249	10	ChEMBL_643926 (CHEMBL1211825)	Inhibition of human recombinant carbonic anhydrase 4 after 15 mins by stopped-flow CO2 hydration assay
50039249	11	ChEMBL_643927 (CHEMBL1211826)	Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay
50039249	12	ChEMBL_643928 (CHEMBL1211827)	Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay
50039249	13	ChEMBL_643929 (CHEMBL1211828)	Inhibition of human recombinant carbonic anhydrase 6 after 15 mins by stopped-flow CO2 hydration assay
50039250	1	ChEMBL_643998 (CHEMBL1211897)	Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity
50001193	15	ChEBML_1711417	Displacement of [3H]-CGS 21680 from human recombinant adenosine A2A receptor after 120 mins by scintillation counting analysis
50001193	16	ChEBML_1711418	Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor after 120 mins by scintillation counting analysis
50001193	17	ChEBML_1711419	Displacement of [3H]-prazosin from rat alpha1 adrenoceptor after 60 mins by scintillation counting analysis
50001193	18	ChEBML_1711420	Displacement of [3H]-RX 821002 from rat alpha2 adrenoceptor after 60 mins by scintillation counting analysis
50001193	19	ChEBML_1711421	Displacement of [3H](-)CGP 12177 from human beta1 adrenoceptor after 60 mins by scintillation counting analysis
50001193	20	ChEBML_1711422	Displacement of [125I][Sar1,Ile8]-AT-II from human recombinant AT1 receptor after 120 mins by scintillation counting analysis
50001193	21	ChEBML_1711424	Displacement of [3H]bradykinin from human recombinant B2 receptor after 60 mins by scintillation counting analysis
50001193	22	ChEBML_1711425	Displacement of [125I]CCK-8s from human recombinant CCK1 receptor after 60 mins by scintillation counting analysis
50001193	23	ChEBML_1711426	Displacement of [3H]-SCH 23390 from human recombinant dopamine D1 receptor after 60 mins by scintillation counting analysis
50001193	24	ChEBML_1711428	Displacement of [125I]-endothelin-1 from human recombinant ETA receptor after 120 mins by scintillation counting analysis
50001193	25	ChEBML_1711430	Displacement of [125I]-endothelin-1 from human recombinant GAL2 receptor after 120 mins by scintillation counting analysis
50001193	26	ChEBML_1711432	Displacement of [125I]MIP-1alpha from human recombinant CCR1 receptor after 120 mins by scintillation counting analysis
50001193	27	ChEBML_1711433	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor after 60 mins by scintillation counting analysis
50001193	28	ChEBML_1711434	Displacement of [125I]APT from human recombinant histamine H2 receptor after 120 mins by scintillation counting analysis
50001193	29	ChEBML_1711436	Displacement of [125I]NDP-alpha -MSH from human recombinant MT1 receptor after 240 mins by scintillation counting analysis
50001193	30	ChEBML_1711437	Displacement of [125I]pirenzepine from human recombinant M1 receptor after 60 mins by scintillation counting analysis
50001193	31	ChEBML_1711439	Displacement of [3H]4-DAMP from human recombinant M3 receptor after 60 mins by scintillation counting analysis
50001193	32	ChEBML_1711440	Displacement of [125I]NKA from human recombinant NK2 receptor after 60 mins by scintillation counting analysis
50001193	33	ChEBML_1711441	Displacement of [3H]SR 142801 from human recombinant NK3 receptor after 120 mins by scintillation counting analysis
50001193	34	ChEBML_1711443	Displacement of [125I]peptide YY from human Y2 receptor after 120 mins by scintillation counting analysis
50001193	35	ChEBML_1711444	Displacement of [125I]Tyr3-neurotensin from human recombinant NTS1 receptor after 120 mins by scintillation counting analysis
50001193	36	ChEBML_1711445	Displacement of [3H]DADLE from human recombinant delta opioid receptor after 60 mins by scintillation counting analysis
50001193	37	ChEBML_1711447	Displacement of [3H]DAMGO from human recombinant mu receptor after 120 mins by scintillation counting analysis
50001193	38	ChEBML_1711448	Displacement of [3H]nociceptin from human recombinant NOP receptor after 60 mins by scintillation counting analysis
50001193	39	ChEBML_1711449	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor after 60 mins by scintillation counting analysis
50001193	40	ChEBML_1711450	Displacement of [125I]-CYP from rat brain 5-HT1B receptor after 120 mins by scintillation counting analysis
50001193	41	ChEBML_1711451	Displacement of [3H]ketanserin human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysis
50039252	1	ChEMBL_645020 (CHEMBL1211469)	Antagonist activity at progesterone receptor in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity
50001193	42	ChEBML_1711452	Displacement of [125I]+/-DOI from human recombinant 5-HT2B receptor after 60 mins by scintillation counting analysis
50001193	43	ChEBML_1711453	Displacement of [3H]BRL 43694 from human recombinant 5-HT3 receptor after 120 mins by scintillation counting analysis
50001193	44	ChEBML_1711454	Displacement of [3H]LSD from human recombinant 5-HT5a receptor after 120 mins by scintillation counting analysis
50001193	45	ChEBML_1711455	Displacement of [3H]LSD from human recombinant 5-HT6 receptor after 120 mins by scintillation counting analysis
50039252	3	ChEMBL_645023 (CHEMBL1211472)	Antagonist activity at androgen receptor ligand binding domain by two hybrid assay
50039253	1	ChEMBL_645060 (CHEMBL1211566)	Inhibition of p38 alpha activity by ELISA
50039253	2	ChEMBL_645062 (CHEMBL1211568)	Inhibition of phospho-p38 alpha activity by ELISA
50039254	1	ChEMBL_645075 (CHEMBL1211581)	Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells
50039254	2	ChEMBL_645081 (CHEMBL1211587)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50039255	1	ChEMBL_646993 (CHEMBL1217134)	Displacement of [125I]RTI55 from human DAT
50001193	47	ChEBML_1711458	Displacement of [125I]VIP from human recombinant VPAC1 receptor after 60 mins by scintillation counting analysis
50001193	48	ChEBML_1711459	Displacement of [3H]AVP from human recombinant V1a receptor after 60 mins by scintillation counting analysis
50039255	2	ChEMBL_646992 (CHEMBL1217133)	Displacement of [3H](R,S)-citalopram HBr from human SERT
50039255	3	ChEMBL_646995 (CHEMBL1217136)	Displacement of [3H]nisoxetine from human NET
50039256	1	ChEMBL_647290 (CHEMBL1217496)	Inhibition of human CYP2C9 after 10 mins
50039256	2	ChEMBL_647293 (CHEMBL1217499)	Inhibition of human CYP3A4 after 10 mins
50039256	3	ChEMBL_647292 (CHEMBL1217498)	Inhibition of human CYP2D6 after 10 mins
50039256	4	ChEMBL_647291 (CHEMBL1217497)	Inhibition of human CYP2C19 after 10 mins
50039256	5	ChEMBL_647289 (CHEMBL1217495)	Inhibition of human CYP1A2 after 10 mins
50001193	49	ChEBML_1711462	Displacement of [125I]apamin from rat brain SkCa channel after 60 mins by scintillation counting analysis
50001193	50	ChEBML_1711465	Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 mins by scintillation counting analysis
50001193	51	ChEBML_1711466	Displacement of [3H]nisoxetine from recombinant human dopamine transporter after 120 mins by scintillation counting analysis
50001193	52	ChEBML_1711416	Displacement of [3H]-DPCPX from human recombinant adenosine A1 receptor after 60 mins by scintillation counting analysis
50039258	1	ChEMBL_647615 (CHEMBL1219966)	Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before LTD4 challenge
50039259	1	ChEMBL_649681 (CHEMBL1219379)	Inhibition of acidic mammalian chitinase after 60 mins
50039259	2	ChEMBL_649683 (CHEMBL1219381)	Binding affinity to biotinylated-acidic mammalian chitinase
50039260	1	ChEMBL_649875 (CHEMBL1219573)	Antagonist activity at mineralocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay
50039260	2	ChEMBL_649883 (CHEMBL1219581)	Inhibition of CYP2D6
50039260	3	ChEMBL_649876 (CHEMBL1219574)	Antagonist activity at glucocorticoid receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay
50039260	4	ChEMBL_649877 (CHEMBL1219575)	Antagonist activity at androgen receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay
50039260	5	ChEMBL_649878 (CHEMBL1219576)	Antagonist activity at progesterone receptor LBD expressed in human HUH7 cells coexpressing GAL4 by luciferase reporter gene assay
50039260	6	ChEMBL_649881 (CHEMBL1219579)	Inhibition of CYP3A4
50039260	7	ChEMBL_649882 (CHEMBL1219580)	Inhibition of CYP2C9
50039261	1	ChEMBL_649967 (CHEMBL1219665)	Antagonist activity at progesterone receptor
50039261	2	ChEMBL_649973 (CHEMBL1219671)	Antagonist activity at glucocorticoid receptor
50039261	3	ChEMBL_649966 (CHEMBL1219664)	Antagonist activity at androgen receptor
50039261	4	ChEMBL_649964 (CHEMBL1219662)	Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay
50039261	5	ChEMBL_649965 (CHEMBL1219663)	Displacement of [3H]dofetilide from human ERG at 10 uM
50039261	6	ChEMBL_649968 (CHEMBL1219666)	Antagonist activity at estrogen receptor
50039262	1	ChEMBL_649740 (CHEMBL1219438)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells
50039262	2	ChEMBL_649739 (CHEMBL1219437)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells
50039263	1	ChEMBL_653272 (CHEMBL1226475)	Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2x after 60 mins by SDS-PAGE
50039263	2	ChEMBL_653273 (CHEMBL1226476)	Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2x after 120 mins by SDS-PAGE
50039264	1	ChEMBL_653788 (CHEMBL1226910)	Inhibition of cdc7
50039264	2	ChEMBL_653789 (CHEMBL1226911)	Inhibition of cdk9
50039264	3	ChEMBL_653790 (CHEMBL1226912)	Inhibition of GSK3-beta
50039264	4	ChEMBL_653791 (CHEMBL1226913)	Inhibition of cdk2
50039264	6	ChEMBL_653793 (CHEMBL1226915)	Inhibition of cdk5
50039264	7	ChEMBL_653794 (CHEMBL1226916)	Inhibition of Mk2
50039264	8	ChEMBL_653795 (CHEMBL1226917)	Inhibition of plk1
50039264	9	ChEMBL_653796 (CHEMBL1226918)	Inhibition of chk2
50039264	10	ChEMBL_653799 (CHEMBL1226921)	Inhibition of c-Abl
50039264	11	ChEMBL_653800 (CHEMBL1226922)	Inhibition of AKT1
50039264	12	ChEMBL_653801 (CHEMBL1226923)	Inhibition of Alk
50039264	13	ChEMBL_653802 (CHEMBL1226924)	Inhibition of Aurora-A
50039264	15	ChEMBL_653804 (CHEMBL1226926)	Inhibition of Cdk7
50039264	17	ChEMBL_653808 (CHEMBL1226930)	Inhibition of ERK2
50039264	18	ChEMBL_653809 (CHEMBL1226931)	Inhibition of FGFR1
50039264	19	ChEMBL_653810 (CHEMBL1226932)	Inhibition of IKK2
50039264	20	ChEMBL_653811 (CHEMBL1226933)	Inhibition of IR
50039264	21	ChEMBL_653812 (CHEMBL1226934)	Inhibition of c-Kit
50039264	22	ChEMBL_653813 (CHEMBL1226935)	Inhibition of LCK
50039264	23	ChEMBL_653814 (CHEMBL1226936)	Inhibition of c-Met
50039264	24	ChEMBL_653815 (CHEMBL1226937)	Inhibition of Nek6
50039264	25	ChEMBL_653816 (CHEMBL1226938)	Inhibition of NIM1
50039264	26	ChEMBL_653817 (CHEMBL1226939)	Inhibition of P38beta
50039264	27	ChEMBL_653818 (CHEMBL1226940)	Inhibition of PAK4
50039264	28	ChEMBL_653820 (CHEMBL1226942)	Inhibition of PDK1
50039264	29	ChEMBL_653821 (CHEMBL1226943)	Inhibition of PKAalpha
50039264	30	ChEMBL_653822 (CHEMBL1226944)	Inhibition of PKCbeta
50039264	31	ChEMBL_653823 (CHEMBL1226945)	Inhibition of Ret
50039264	32	ChEMBL_653824 (CHEMBL1226946)	Inhibition of STLK2
50039264	33	ChEMBL_653825 (CHEMBL1226947)	Inhibition of TAO3
50039264	34	ChEMBL_653826 (CHEMBL1226948)	Inhibition of TRKA
50039264	35	ChEMBL_653827 (CHEMBL1226949)	Inhibition of VEGFR2
50039264	36	ChEMBL_653828 (CHEMBL1226950)	Inhibition of VEGFR3
50039264	37	ChEMBL_653829 (CHEMBL1226951)	Inhibition of ZAP70
50039265	1	ChEMBL_650684 (CHEMBL1227264)	Binding affinity to NuR77-LBD receptor expressed in human BGC823 cells
50039265	2	ChEMBL_650639 (CHEMBL1227064)	Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-LBD assessed as transactivation after 12 hrs by luciferase reporter gene assay
50039265	3	ChEMBL_650638 (CHEMBL1227063)	Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-Nur77 assessed as transactivation after 12 hrs by luciferase reporter gene assay
50039265	4	ChEMBL_650703 (CHEMBL1227283)	Binding affinity to RXRalpha
50039265	5	ChEMBL_650627 (CHEMBL1225186)	Binding affinity to Nur77 receptor expressed in human BGC823 cells
50039266	1	ChEMBL_650722 (CHEMBL1227482)	Activation of KV1.1 expressed in Xenopus laevis oocytes coexpressing Kvbeta1 assessed as increase in steady state current normalized to initial inactivating current by electrophysiology method
50039266	2	ChEMBL_650727 (CHEMBL1227487)	Activation of KV1.1 expressed in Xenopus laevis oocytes coexpressing Kvbeta1 W155A mutant assessed as increase in steady state current normalized to initial inactivating current by electrophysiology method
50039267	1	ChEMBL_651099 (CHEMBL1227540)	Binding affinity at Dvl2 PDZ domain after 15 mins by fluorescence polarization assay
50039268	1	ChEMBL_651179 (CHEMBL1227944)	Agonist activity at GCGR expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay
50039268	2	ChEMBL_651180 (CHEMBL1227945)	Agonist activity at GLP1R expressed in HEK293 cells assessed as stimulation of cAMP production by luciferase reporter gene assay
50039269	1	ChEMBL_651342 (CHEMBL1227162)	Inhibition of human recombinant MAO-B after 15 mins
50039270	1	ChEMBL_651607 (CHEMBL1227990)	Displacement of [125I]-[LTT] SIRF-28 from human SST4 receptor expressed in human CCL39 cells by autoradiography
50039270	2	ChEMBL_651606 (CHEMBL1227989)	Displacement of [125I]-[LTT] SIRF-28 from human SST3 receptor expressed in human CCL39 cells by autoradiography
50039270	3	ChEMBL_651608 (CHEMBL1227991)	Displacement of [125I]-[LTT] SIRF-28 from human SST5 receptor expressed in HEK293 cells by autoradiography
50039270	4	ChEMBL_651604 (CHEMBL1227987)	Displacement of [125I]-[LTT] SIRF-28 from human SST1 receptor expressed in CHO cells by autoradiography
50039270	5	ChEMBL_651605 (CHEMBL1227988)	Displacement of [125I]-[LTT] SIRF-28 from human SST2 receptor expressed in human CCL39 cells by autoradiography
50039271	1	ChEMBL_651943 (CHEMBL1227473)	Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method
50039271	2	ChEMBL_651944 (CHEMBL1227474)	Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method
50039271	3	ChEMBL_651945 (CHEMBL1227475)	Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method
50039271	4	ChEMBL_651946 (CHEMBL1227476)	Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method
50039271	5	ChEMBL_651947 (CHEMBL1227477)	Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method
50039271	6	ChEMBL_651948 (CHEMBL1227478)	Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method
50039271	7	ChEMBL_651949 (CHEMBL1227479)	Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method
50039271	8	ChEMBL_651950 (CHEMBL1227480)	Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method
50039271	9	ChEMBL_652117 (CHEMBL1228226)	Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method
50039271	10	ChEMBL_651952 (CHEMBL1227625)	Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method
50039271	11	ChEMBL_651953 (CHEMBL1227626)	Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method
50039271	12	ChEMBL_651954 (CHEMBL1227627)	Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method
50039271	13	ChEMBL_651955 (CHEMBL1227628)	Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method
50039272	1	ChEMBL_652025 (CHEMBL1227835)	Inhibition of recombinant c-Abl after 30 mins
50039273	1	ChEMBL_652246 (CHEMBL1225449)	Inhibition of indoleamine-2,3-dioxygenase
50039273	2	ChEMBL_652247 (CHEMBL1225450)	Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition of IFN-gamma-stimulated kynurenine production
50039274	1	ChEMBL_654117 (CHEMBL1228923)	Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells
50039274	2	ChEMBL_654118 (CHEMBL1228924)	Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells
50039274	3	ChEMBL_654116 (CHEMBL1228922)	Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells
50039274	4	ChEMBL_654144 (CHEMBL1228950)	Inhibition of CYP1A2
50039274	5	ChEMBL_654145 (CHEMBL1228951)	Inhibition of CYP2C9
50039274	6	ChEMBL_654146 (CHEMBL1228952)	Inhibition of CYP2C19
50039274	7	ChEMBL_654147 (CHEMBL1228953)	Inhibition of CYP3A4
50039274	8	ChEMBL_654148 (CHEMBL1228954)	Inhibition of CYP2D6
50039274	9	ChEMBL_654119 (CHEMBL1228925)	Displacement of [3H]paroxetine from SERT in rat cerebral cortex
50039275	1	ChEMBL_654161 (CHEMBL1228967)	Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins
50039276	2	ChEMBL_660332 (CHEMBL1249828)	Inhibition of GSK3alpha
50039276	7	ChEMBL_660337 (CHEMBL1249833)	Inhibition of CDK2/cyclinA at 10 mM
50039277	1	ChEMBL_660422 (CHEMBL1250012)	Inhibition of Akt1
50039277	2	ChEMBL_660420 (CHEMBL1250010)	Inhibition of IKK2
50039277	3	ChEMBL_660414 (CHEMBL1250004)	Inhibition of LCK
50039277	4	ChEMBL_660413 (CHEMBL1250003)	Inhibition of p38alpha
50039277	5	ChEMBL_660410 (CHEMBL1250000)	Inhibition of JAK3
50039277	6	ChEMBL_660405 (CHEMBL1249995)	Inhibition of ITK
50039277	7	ChEMBL_660400 (CHEMBL1249990)	Inhibition of SYK
50039277	8	ChEMBL_660425 (CHEMBL1250015)	Inhibition of Akt2
50039277	9	ChEMBL_660428 (CHEMBL1250018)	Inhibition of Bcr-Abl
50039277	10	ChEMBL_660429 (CHEMBL1250019)	Inhibition of EGFR
50039277	11	ChEMBL_660432 (CHEMBL1250022)	Inhibition of B-Raf
50039277	13	ChEMBL_660435 (CHEMBL1250025)	Inhibition of p110delta
50039278	3	ChEMBL_660458 (CHEMBL1250088)	Inhibition of HDAC6 in human A549 cells assessed as induction of alpha-tubulin acetylation by fluorescence microscopy
50039278	9	ChEMBL_660467 (CHEMBL1250097)	Agonist activity at FXR
50039279	1	ChEMBL_657536 (CHEMBL1246811)	Inhibition of COX2
50039279	2	ChEMBL_657535 (CHEMBL1246810)	Inhibition of COX1
50039280	1	ChEMBL_659083 (CHEMBL1246696)	Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis
50039281	1	ChEMBL_659441 (CHEMBL1248351)	Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	2	ChEMBL_659490 (CHEMBL1248543)	Binding affinity to human dopamine D2S receptor by radioligand displacement assay
50039281	3	ChEMBL_659496 (CHEMBL1248549)	Binding affinity to human 5-HT1A receptor by radioligand displacement assay
50039281	4	ChEMBL_659500 (CHEMBL1248553)	Binding affinity to human histamine H1 receptor by radioligand displacement assay
50039281	5	ChEMBL_659443 (CHEMBL1248353)	Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	7	ChEMBL_659449 (CHEMBL1248359)	Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	9	ChEMBL_659443 (CHEMBL1248353)	Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	10	ChEMBL_659446 (CHEMBL1248356)	Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	11	ChEMBL_659449 (CHEMBL1248359)	Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	12	ChEMBL_659452 (CHEMBL1248362)	Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay
50039281	13	ChEMBL_659506 (CHEMBL1248559)	Binding affinity to human adrenergic alpha2A receptor by radioligand displacement assay
50039281	15	ChEMBL_659612 (CHEMBL1249046)	Binding affinity to human adrenergic alpha1A receptor by radioligand displacement assay
50039281	16	ChEMBL_659613 (CHEMBL1249047)	Binding affinity to human adrenergic Alpha-1B receptor by radioligand displacement assay
50039281	17	ChEMBL_659614 (CHEMBL1249048)	Binding affinity to human adrenergic Alpha-1D receptor by radioligand displacement assay
50039282	1	ChEMBL_657413 (CHEMBL1246389)	Inhibition of human recombinant FAP expressed in Hi5 insect cells
50039282	2	ChEMBL_657414 (CHEMBL1246390)	Inhibition of human recombinant His-tagged DPP8 expressed in insect cells
50039282	3	ChEMBL_657415 (CHEMBL1246391)	Inhibition of human recombinant His-tagged DPP9 expressed in insect cells
50039282	4	ChEMBL_657416 (CHEMBL1246392)	Inhibition of human recombinant His-tagged DPP2 expressed in insect cells
50039282	5	ChEMBL_657417 (CHEMBL1246393)	Inhibition of human recombinant His-tagged DPP4 expressed in insect cells
50039282	6	ChEMBL_657426 (CHEMBL1246402)	Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by Lineweaver-Burke plot analysis
50039283	1	ChEMBL_657461 (CHEMBL1246573)	Binding affinity to mouse HINT1 by fluorescence quenching assay
50039283	2	ChEMBL_657462 (CHEMBL1246574)	Binding affinity to mouse HINT1 by HSQC spectra assay
50039283	3	ChEMBL_657463 (CHEMBL1246575)	Binding affinity to mouse HINT1 by NMR analysis
50039284	3	ChEMBL_660573 (CHEMBL1250281)	Inhibition of CDK2
50039284	5	ChEMBL_660574 (CHEMBL1250282)	Binding affinity to Cyclin A by competitive binding assay
50039284	6	ChEMBL_660569 (CHEMBL1250277)	Inhibition of CDK6
50039284	7	ChEMBL_660570 (CHEMBL1250278)	Inhibition of CDK5
50039284	8	ChEMBL_660568 (CHEMBL1250276)	Inhibition of CDK4
50039285	1	ChEMBL_661806 (CHEMBL1252122)	Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7
50039285	2	ChEMBL_661804 (CHEMBL1252120)	Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5
50039285	3	ChEMBL_661805 (CHEMBL1252121)	Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5
50039286	1	ChEMBL_661807 (CHEMBL1252123)	Inhibition of human MIF tautomerase activity
50039286	2	ChEMBL_661809 (CHEMBL1252125)	Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent
50039287	1	ChEMBL_661835 (CHEMBL1252151)	Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay
50039287	2	ChEMBL_661838 (CHEMBL1252154)	Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay
50039287	3	ChEMBL_661836 (CHEMBL1252152)	Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay
50039287	4	ChEMBL_661837 (CHEMBL1252153)	Binding affinity to human galectin 8 N-terminal domain at 20 degC by competitive fluorescence polarization assay
50039288	1	ChEMBL_661840 (CHEMBL1252156)	Inhibition of EGFR expressed in human A431 cells
50039288	2	ChEMBL_661841 (CHEMBL1252157)	Inhibition of VEGFR2 expressed in human A431 cells
50039288	3	ChEMBL_661842 (CHEMBL1252158)	Inhibition of PDGFRbeta expressed in human A431 cells
50039289	1	ChEMBL_661952 (CHEMBL1252556)	Agonist activity at CB2 receptor
50039290	1	ChEMBL_661996 (CHEMBL1251644)	Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine by amplex red assay
50039290	2	ChEMBL_661995 (CHEMBL1251643)	Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine by amplex red assay
50039291	1	ChEMBL_662058 (CHEMBL1251790)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane
50039291	2	ChEMBL_662059 (CHEMBL1251791)	Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane
50039291	3	ChEMBL_662060 (CHEMBL1251870)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane
50039291	4	ChEMBL_662057 (CHEMBL1251789)	Inhibition of electric eel AChE by Ellman's method
50039292	1	ChEMBL_662064 (CHEMBL1251874)	Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50039292	2	ChEMBL_662065 (CHEMBL1251875)	Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50039292	3	ChEMBL_662066 (CHEMBL1251876)	Inhibition of human recombinant carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay
50039292	4	ChEMBL_662068 (CHEMBL1251878)	Inhibition of Lactobacillus casei DHFR by spectrophotometric analysis
50039293	1	ChEMBL_662213 (CHEMBL1252204)	Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting
50039293	2	ChEMBL_662214 (CHEMBL1252205)	Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting
50039293	3	ChEMBL_662215 (CHEMBL1252307)	Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting
50039293	4	ChEMBL_662218 (CHEMBL1252310)	Agonist activity at mu opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50039294	1	ChEMBL_662247 (CHEMBL1252339)	Antagonist activity at human ERalpha expressed in human MCF7 cells by luciferase reporter gene assay
50039294	2	ChEMBL_662248 (CHEMBL1252340)	Antagonist activity at human ERalpha expressed in human MCF7 cells at 10 uM by luciferase reporter gene assay
50039294	3	ChEMBL_662253 (CHEMBL1252345)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane
50039295	1	ChEMBL_662256 (CHEMBL1252348)	Inhibition of PKB/Akt activation in human overnight starved MCF7 cells assessed as phosphorylated Akt at Ser473 level at 50 ug/ml after 1 hr followed by treated with 1 ug/mL of insulin for 15 mins by Western blotting
50039296	1	ChEMBL_663223 (CHEMBL1251330)	Inhibition of VACHT in rat synaptic vesicles assessed as [3H]HT uptake pretreated for 30 mins measured after 10 mins by scintillation spectrophotometer analysis
50039297	1	ChEMBL_663368 (CHEMBL1250864)	Binding affinity to glucocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluorescence polarization microplate assay
50039297	2	ChEMBL_663371 (CHEMBL1250867)	Transrepression activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs by ELISA
50039297	3	ChEMBL_663370 (CHEMBL1250866)	Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by fluorescence polarization microplate assay
50039297	4	ChEMBL_663369 (CHEMBL1250865)	Binding affinity to progesterone receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled RU-486 by fluorescence polarization microplate assay
50039297	5	ChEMBL_663373 (CHEMBL1250869)	Transactivation activity at glucocorticoid receptor in human HeLa cells transfected with luciferase gene linked to MMTV promoter by luciferase assay
50039297	6	ChEMBL_663374 (CHEMBL1250870)	Transactivation activity at glucocorticoid receptor in HFF assessed as induction of aromatase activity after 18 to 24 hrs by ELISA
50039298	1	ChEMBL_664237 (CHEMBL1261744)	Inhibition of MAOB by spectrophotometry
50039298	2	ChEMBL_664236 (CHEMBL1261743)	Inhibition of MAOA by spectrophotometry
50039299	1	ChEMBL_664297 (CHEMBL1259332)	Inhibition of 5-HT2B receptor
50039299	2	ChEMBL_664293 (CHEMBL1259328)	Inhibition of 5-HT1B receptor
50039299	3	ChEMBL_664273 (CHEMBL1259308)	Displacement of [3H]PK11195 from TSPO in rat kidney
50039299	4	ChEMBL_664275 (CHEMBL1259310)	Inhibition of Alpha-1B adrenergic receptor
50039299	6	ChEMBL_664313 (CHEMBL1259348)	Inhibition of kappa opioid receptor
50039300	1	ChEMBL_664665 (CHEMBL1260551)	Agonist activity at motilin receptor in rabbit smooth muscle assessed as increase of muscle contraction
50039301	1	ChEMBL_664997 (CHEMBL1259954)	Inhibition of mushroom tyrosinase by Lineweaver-Burke double reciprocal plot analysis
50039301	2	ChEMBL_664996 (CHEMBL1259953)	Inhibition of mushroom tyrosinase after 10 mins by L-DOPA oxidation assay
50039302	1	ChEMBL_675033 (CHEMBL1272767)	Inhibition of electric eel AChE by Ellman's method
50039303	1	ChEMBL_675275 (CHEMBL1273257)	Inhibition of factor 10a
50039303	2	ChEMBL_675277 (CHEMBL1273259)	Inhibition of thrombin
50039303	3	ChEMBL_675285 (CHEMBL1273267)	Inhibition of bovine factor 10a
50039303	4	ChEMBL_675304 (CHEMBL1273286)	Inhibition of human ERG by patch clamp assay
50039303	5	ChEMBL_675276 (CHEMBL1273258)	Binding affinity to antithrombin 3
50039304	1	ChEMBL_674370 (CHEMBL1274400)	Inhibition of electric eel AChE by Ellman's method
50039305	1	ChEMBL_675610 (CHEMBL1273918)	Agonist activity at motilin receptor
50039306	2	ChEMBL_675520 (CHEMBL1273733)	Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferation by WST1 assay
50039306	3	ChEMBL_675519 (CHEMBL1273732)	Binding affinity to androgen receptor
50039307	1	ChEMBL_675881 (CHEMBL1272698)	Inhibition of CDK2/Cyclin A
50039307	2	ChEMBL_675878 (CHEMBL1272695)	Inhibition of PLK2
50039307	3	ChEMBL_675879 (CHEMBL1272696)	Inhibition of PLK3
50039307	4	ChEMBL_675877 (CHEMBL1272694)	Inhibition of PLK1
50039307	5	ChEMBL_675885 (CHEMBL1272702)	Inhibition of NEK6
50039307	6	ChEMBL_675887 (CHEMBL1272704)	Inhibition of ALK
50039307	7	ChEMBL_675884 (CHEMBL1272701)	Inhibition of FLT3
50039308	1	ChEMBL_676193 (CHEMBL1273313)	Binding affinity to RAP1A in human RBC membrane by surface plasmon resonance analysis with inverted configuration
50039308	2	ChEMBL_676191 (CHEMBL1273311)	Binding affinity to RAP1A in human RBC membrane by Western blot analysis
50039308	3	ChEMBL_676192 (CHEMBL1273312)	Binding affinity to RAP1A in human RBC membrane by surface plasmon resonance analysis
50039309	1	ChEMBL_676203 (CHEMBL1273323)	Binding affinity to cyclophilin A by ELISA
50039309	2	ChEMBL_676204 (CHEMBL1273324)	Binding affinity to cyclophilin B by ELISA
50039310	1	ChEMBL_677175 (CHEMBL1278933)	Inhibition of methicillin-resistant Staphylococcus aureus COL PBP2a by competitive assay
50039311	1	ChEMBL_679987 (CHEMBL1280935)	Inhibition of human NEU1 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate
50039311	2	ChEMBL_679988 (CHEMBL1280936)	Inhibition of human NEU2 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate
50039311	4	ChEMBL_679990 (CHEMBL1280938)	Inhibition of human NEU4 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate
50039311	5	ChEMBL_679995 (CHEMBL1280943)	Inhibition of human Influenza A virus A/PR/8/34(H1N1) neuraminidase by fluorometric method using 4MU-NeuAc substrate
50039311	6	ChEMBL_679996 (CHEMBL1280944)	Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate
50039311	7	ChEMBL_679993 (CHEMBL1280941)	Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrate
50039311	8	ChEMBL_679994 (CHEMBL1280942)	Inhibition of human NEU4 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrate
50039312	1	ChEMBL_684850 (CHEMBL1286080)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting
50039312	2	ChEMBL_684849 (CHEMBL1286079)	Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting
50039312	3	ChEMBL_684908 (CHEMBL1286232)	Displacement of [3H](-)CGP12177 from human recombinant beta-1 adrenergic receptor
50039312	4	ChEMBL_684909 (CHEMBL1286324)	Displacement of [3H]SCH23390 from human recombinant dopamine D1 receptor
50039312	5	ChEMBL_684910 (CHEMBL1286325)	Displacement of [3H]spiperone from human recombinant dopamine D2 receptor
50039312	6	ChEMBL_684912 (CHEMBL1286327)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor
50039312	7	ChEMBL_684913 (CHEMBL1286328)	Displacement of [125I]APT from human recombinant histamine H2 receptor
50039312	8	ChEMBL_684914 (CHEMBL1286329)	Displacement of [3H]pirenzepine from human recombinant muscarinic M1 receptor
50039312	9	ChEMBL_684915 (CHEMBL1286330)	Displacement of [3H]AF-DX384 from human recombinant muscarinic M2 receptor
50039312	10	ChEMBL_684916 (CHEMBL1286331)	Displacement of [3H]4-DAMP from human recombinant muscarinic M3 receptor
50039312	11	ChEMBL_684917 (CHEMBL1286332)	Displacement of [125I]NKA from human recombinant NK2 receptor
50039312	12	ChEMBL_684918 (CHEMBL1286333)	Displacement of [3H]SR142801 from human recombinant NK3 receptor
50039312	13	ChEMBL_684919 (CHEMBL1286334)	Displacement of [125I]peptide YY from NPY1 receptor in human SK-N-MC cells
50039312	14	ChEMBL_684920 (CHEMBL1286335)	Displacement of [125I]peptide YY from NPY2 receptor in human KAN-TS cells
50039312	15	ChEMBL_684921 (CHEMBL1286336)	Displacement of [3H]U69593 from guinea pig cerebellum kappa opioid receptor
50039312	16	ChEMBL_684922 (CHEMBL1286337)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor
50039312	17	ChEMBL_684924 (CHEMBL1286339)	Displacement of [125I]CYP from rat cerebral cortex 5HT1B receptor in presence of 30 uM propranolol
50039312	18	ChEMBL_684925 (CHEMBL1286340)	Displacement of [3H]LSD from human recombinant 5HT5A receptor
50039312	19	ChEMBL_684927 (CHEMBL1286342)	Displacement of [3H]LSD from human recombinant 5HT6 receptor
50039312	20	ChEMBL_684928 (CHEMBL1286343)	Displacement of [3H]LSD from human recombinant 5HT7 receptor
50039312	21	ChEMBL_684929 (CHEMBL1286344)	Displacement of [3H]nisoxetine from human recombinant NET
50039312	22	ChEMBL_684930 (CHEMBL1286345)	Displacement of [3H]BTCP from human recombinant DAT
50039312	23	ChEMBL_684923 (CHEMBL1286338)	Displacement of 8-hydroxy-[3H]DPAT from human recombinant 5HT1A receptor
50039312	24	ChEMBL_684851 (CHEMBL1286081)	Agonist activity at human cloned 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 30 mins by liquid scintillation counting
50039312	25	ChEMBL_684895 (CHEMBL1286219)	Binding affinity to human 5HT3 receptor
50039312	26	ChEMBL_684926 (CHEMBL1286341)	Displacement of [3H]BRL-43694 from human recombinant 5HT3 receptor
50039312	27	ChEMBL_684873 (CHEMBL1286197)	Inhibition of human dopamine D2 receptor
50039312	28	ChEMBL_684874 (CHEMBL1286198)	Inhibition of rat 5HT2 receptor
50039312	29	ChEMBL_684876 (CHEMBL1286200)	Inhibition of guinea pig 5HT4 receptor
50039312	30	ChEMBL_684903 (CHEMBL1286227)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor
50039312	31	ChEMBL_684904 (CHEMBL1286228)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor
50039312	32	ChEMBL_684905 (CHEMBL1286229)	Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor
50039313	1	ChEMBL_684949 (CHEMBL1286364)	Inhibition of L3MBTL3 by alpha-screening
50039313	2	ChEMBL_684948 (CHEMBL1286363)	Inhibition of L3MBTL1 by alpha-screening
50039313	3	ChEMBL_684951 (CHEMBL1286366)	Inhibition of MBTD1 by alpha-screening
50039313	4	ChEMBL_684950 (CHEMBL1286365)	Inhibition of L3MBTL4 by alpha-screening
50039314	1	ChEMBL_685385 (CHEMBL1287585)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry
50039314	2	ChEMBL_685384 (CHEMBL1287584)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membranes after 1 hr by liquid scintillation spectrophotometry
50039314	3	ChEMBL_685387 (CHEMBL1287587)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 1.5 hrs by liquid scintillation spectrophotometry
50039314	4	ChEMBL_685389 (CHEMBL1287589)	Binding affinity to CB1 receptor
50039314	5	ChEMBL_685390 (CHEMBL1287590)	Binding affinity to CB2 receptor
50039315	1	ChEMBL_684093 (CHEMBL1286470)	Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay
50039316	1	ChEMBL_686364 (CHEMBL1293120)	Inhibition of human acetyl cholinesterase by Ellmann's method
50039317	1	ChEMBL_687674 (CHEMBL1291058)	Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay
50039317	2	ChEMBL_687673 (CHEMBL1291057)	Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis
50039317	3	ChEMBL_687672 (CHEMBL1291056)	Inhibition of human neuraminidase 3 assessed as inhibition of GM3 hydrolysis
50039318	1	ChEMBL_687675 (CHEMBL1291059)	Binding affinity to androgen receptor by fluorescence binding assay
50039319	1	ChEMBL_687028 (CHEMBL1291499)	Antagonist activity at human AR expressed in human HeLa cells co-transfected with MMTV-Luc-Hyg after 48 hrs by transient-luciferase reporter gene assay
50039319	2	ChEMBL_687031 (CHEMBL1291551)	Antagonist activity at AR in human bicalutamide-resistant LNCAP cells assessed as inhibition of cell proliferation after 6 days
50039320	1	ChEMBL_687533 (CHEMBL1292209)	Inhibition of PI3Kalpha
50039321	1	ChEMBL_686109 (CHEMBL1292865)	Inhibition of human recombinant JAK1 by TR-FRET assay
50039321	2	ChEMBL_686110 (CHEMBL1292866)	Inhibition of human recombinant JAK2 by TR-FRET assay
50039321	3	ChEMBL_686111 (CHEMBL1292867)	Inhibition of human recombinant JAK3 by TR-FRET assay
50039321	4	ChEMBL_686112 (CHEMBL1292868)	Inhibition of human recombinant TYK2 by TR-FRET assay
50039321	5	ChEMBL_686114 (CHEMBL1292870)	Binding affinity to JAK1
50039321	6	ChEMBL_686115 (CHEMBL1292871)	Binding affinity to JAK2
50039321	7	ChEMBL_686116 (CHEMBL1292872)	Binding affinity to JAK3
50039321	8	ChEMBL_686117 (CHEMBL1292873)	Binding affinity to TYK2
50039323	1	ChEMBL_698686 (CHEMBL1648250)	Competitive inhibition of guanase by Lineweaver-Burk plot analysis
50039324	1	ChEMBL_700699 (CHEMBL1645738)	Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk curves
50039324	2	ChEMBL_700700 (CHEMBL1645739)	Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk curves
50039324	3	ChEMBL_700701 (CHEMBL1645740)	Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves
50039324	4	ChEMBL_700697 (CHEMBL1645736)	Inhibition of human carbonic anhydrase 5 by Lineweaver-Burk curves
50039324	5	ChEMBL_700696 (CHEMBL1645735)	Inhibition of human carbonic anhydrase 9 by Lineweaver-Burk curves
50039325	1	ChEMBL_700949 (CHEMBL1648448)	Inhibition of human recombinant AChE by modified Ellman's method
50039326	1	ChEMBL_700254 (CHEMBL1647472)	Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay
50039326	2	ChEMBL_700255 (CHEMBL1647473)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake
50039326	3	ChEMBL_700256 (CHEMBL1647474)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as response to capsaicin-stimulated 45Ca2+ uptake
50039327	1	ChEMBL_701398 (CHEMBL1649018)	Inhibition of iNOS in mouse BV2 microglial cells assessed as NO production
50039328	1	ChEMBL_701401 (CHEMBL1649021)	Inhibition of IR kinase
50039328	2	ChEMBL_701399 (CHEMBL1649019)	Inhibition of c-Met
50039329	1	ChEMBL_699907 (CHEMBL1646126)	Inhibition of human recombinant BChE
50039329	2	ChEMBL_699906 (CHEMBL1646125)	Inhibition of human recombinant AChE
50039329	3	ChEMBL_699909 (CHEMBL1646128)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot
50039329	4	ChEMBL_699910 (CHEMBL1646129)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot
50039333	1	ChEMBL_702469 (CHEMBL1656983)	Inhibition of human CYP2C9 by fluorescence assay
50039333	2	ChEMBL_702468 (CHEMBL1656982)	Inhibition of human CYP2C19 by fluorescence assay
50039333	3	ChEMBL_702471 (CHEMBL1656985)	Inhibition of human CYP3A4 by fluorescence assay
50039333	4	ChEMBL_702470 (CHEMBL1656984)	Inhibition of human CYP1A2 by fluorescence assay
50039333	5	ChEMBL_702466 (CHEMBL1656980)	Inhibition of human CYP2D6 by fluorescence assay
50039334	1	ChEMBL_702551 (CHEMBL1657195)	Modulation of glucocorticoid receptor in human SKGT4 cells assessed as receptor translocation from cytoplasm to nucleus after 4 hrs by Hoechst staining relative to Dexamethasone
50039337	1	ChEMBL_702661 (CHEMBL1657597)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells
50039337	2	ChEMBL_702660 (CHEMBL1657596)	Antagonist activity at CCR5 receptor expressed in HeLa-P4 cells co-expressing CD4 assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat10 cells after 20 hrs by cell-cell fusion assay
50039338	1	ChEMBL_702698 (CHEMBL1657772)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50039338	2	ChEMBL_702699 (CHEMBL1657773)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50001194	1	ChEMBL_1711556 (CHEMBL4121605)	Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectrophotometric method
50001194	2	ChEMBL_1711555 (CHEMBL4121604)	Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectrophotometric method
50039338	6	ChEMBL_702696 (CHEMBL1657770)	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50039339	1	ChEMBL_702706 (CHEMBL1657780)	Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells
50039339	2	ChEMBL_702705 (CHEMBL1657779)	Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells
50039340	1	ChEMBL_702737 (CHEMBL1657811)	Inhibition of human liver FBP
50039341	1	ChEMBL_702836 (CHEMBL1655366)	Inhibition of Leishmania major PTR1
50039341	2	ChEMBL_702838 (CHEMBL1655368)	Inhibition of Leishmania major DHFR
50039341	3	ChEMBL_702837 (CHEMBL1655367)	Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis
50039341	4	ChEMBL_702843 (CHEMBL1655373)	Inhibition of human DHFR
50039343	1	ChEMBL_702889 (CHEMBL1655514)	Inhibition of human SGLT2 expressed in CHO cells assessed as sodium-dependent [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50039343	2	ChEMBL_702890 (CHEMBL1655515)	Inhibition of human SGLT1 expressed in CHO cells assessed as sodium-dependent [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counting
50039344	1	ChEMBL_701532 (CHEMBL1656171)	Inhibition of CYP3A4
50039344	2	ChEMBL_701533 (CHEMBL1656172)	Inhibition of CYP1A2
50039344	3	ChEMBL_701534 (CHEMBL1656173)	Inhibition of CYP2D6
50039344	4	ChEMBL_701535 (CHEMBL1656174)	Inhibition of CYP2C9
50039344	5	ChEMBL_701536 (CHEMBL1656175)	Inhibition of CYP2C19
50039344	6	ChEMBL_701537 (CHEMBL1656176)	Displacement of [3H]astemizole from human ERG by whole cell patch-clamp technique
50039344	7	ChEMBL_702904 (CHEMBL1655529)	Inhibition of CYP2C9 in human liver microsomes after 15 mis
50039344	8	ChEMBL_701543 (CHEMBL1656182)	Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay
50039344	9	ChEMBL_702908 (CHEMBL1655533)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay
50039344	10	ChEMBL_702909 (CHEMBL1655534)	Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay
50039344	11	ChEMBL_702910 (CHEMBL1655535)	Inhibition of human TRPM8 expressed in HEK293 cells assessed as inhibition of cold-induced channel current by whole cell electrophysiology
50039345	6	ChEMBL_701566 (CHEMBL1656205)	Inhibition of EPHB4
50039345	1	ChEMBL_701565 (CHEMBL1656204)	Inhibition of FLT3
50039345	2	ChEMBL_701564 (CHEMBL1656203)	Inhibition of IRAK4
50039345	3	ChEMBL_701563 (CHEMBL1656202)	Inhibition of KDR
50039345	4	ChEMBL_701562 (CHEMBL1656201)	Inhibition of LCK
50039345	7	ChEMBL_701561 (CHEMBL1656200)	Inhibition of AKT1
50039345	8	ChEMBL_701560 (CHEMBL1656199)	Inhibition of CAMK4
50039345	9	ChEMBL_701559 (CHEMBL1656198)	Inhibition of CDK2
50039345	10	ChEMBL_701558 (CHEMBL1656197)	Inhibition of CSNK1D
50039345	11	ChEMBL_701557 (CHEMBL1656196)	Inhibition of EGFR
50039345	12	ChEMBL_701556 (CHEMBL1656195)	Inhibition of ERK2
50039345	13	ChEMBL_701555 (CHEMBL1656194)	Inhibition of IGF1R
50039345	14	ChEMBL_701554 (CHEMBL1656193)	Inhibition of IKK-beta
50039345	15	ChEMBL_701553 (CHEMBL1656192)	Inhibition of JAK2
50039345	16	ChEMBL_701552 (CHEMBL1656191)	Inhibition of MET
50039345	17	ChEMBL_701551 (CHEMBL1656190)	Inhibition of MST2
50039345	18	ChEMBL_701550 (CHEMBL1656189)	Inhibition of NEK2
50039345	20	ChEMBL_701548 (CHEMBL1656187)	Inhibition of PLK3
50039345	21	ChEMBL_701546 (CHEMBL1656185)	Inhibition of ROCK2
50039345	22	ChEMBL_701547 (CHEMBL1656186)	Inhibition of RSK2
50039345	23	ChEMBL_701545 (CHEMBL1656184)	Inhibition of TSSK2
50001195	1	ChEMBL_1711573 (CHEMBL4121622)	Irreversible inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate incubated for 5 to 25 mins by FRET assay
50001195	2	ChEMBL_1711569 (CHEMBL4121618)	Inhibition of Staphylococcus aureus SrtA deltaN24 mutant assessed as decrease in transpeptidation of IsdA (64 to 323 residues) incubated for 1.25 hrs in presence of NH2-Gly3 nucleophile by SDS-PAGE method
50001195	3	ChEMBL_1711566 (CHEMBL4121615)	Inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate preincubated for 10 mins followed by substrate addition measured every 2 mins for 20 mins by FRET assay
50039346	1	ChEMBL_701686 (CHEMBL1656578)	Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacterial homogenate
50039346	2	ChEMBL_701687 (CHEMBL1656579)	Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of bacterial homogenate
50039346	3	ChEMBL_701690 (CHEMBL1656582)	Inhibition of 17beta-HSD1
50039347	1	ChEMBL_701697 (CHEMBL1656589)	Inhibition of JAK2 using 5 mM of ATP
50039347	2	ChEMBL_701698 (CHEMBL1656590)	Inhibition of JAK3 using 5 mM of ATP
50039347	3	ChEMBL_701827 (CHEMBL1656964)	Inhibition of Stat5 phosphorylation in human HEL cells after 1 hr by Western blotting
50039347	4	ChEMBL_701828 (CHEMBL1656965)	Inhibition of Stat3 phosphorylation in human HEL cells after 1 hr by Western blotting
50039347	5	ChEMBL_701694 (CHEMBL1656586)	Inhibition of Stat5 phosphorylation in human SET2 cells after 1 hr by Western blotting
50039347	6	ChEMBL_701695 (CHEMBL1656587)	Inhibition of Stat3 phosphorylation in human SET2 cells after 1 hr by Western blotting
50039347	7	ChEMBL_701733 (CHEMBL1656736)	Inhibition of TrkA
50039347	8	ChEMBL_701696 (CHEMBL1656588)	Inhibition of JAK2 using Km ATP concentration
50039348	1	ChEMBL_701873 (CHEMBL1657165)	Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry
50039348	2	ChEMBL_701874 (CHEMBL1657166)	Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by spectrophotometry
50039348	3	ChEMBL_701872 (CHEMBL1657164)	Inhibition of FKBP12
50039349	1	ChEMBL_701878 (CHEMBL1657170)	Inhibition of GST-tagged Jak1 expressed in insect cells using 70 uM ATP
50039349	2	ChEMBL_701879 (CHEMBL1657171)	Inhibition of GST-tagged Jak2 expressed in insect cells using 20 uM ATP
50039349	4	ChEMBL_701881 (CHEMBL1657305)	Inhibition of GST-tagged Tyk2 expressed in insect cells using 35 uM ATP
50039349	6	ChEMBL_701880 (CHEMBL1657304)	Inhibition of GST-tagged Jak3 expressed in insect cells using 18 uM ATP
50039349	8	ChEMBL_702518 (CHEMBL1657032)	Inhibition of PKCtheta
50039349	9	ChEMBL_701894 (CHEMBL1657318)	Inhibition of GSK3-beta
50039350	1	ChEMBL_702652 (CHEMBL1657588)	Inhibition of Mycobacterium tuberculosis FtsZ polymerization
50039351	1	ChEMBL_702751 (CHEMBL1657825)	Positive allosteric modulation of rat mGluR2 expressed in HEK-293 cells assessed as thallium flux through GIRK channels
50039352	1	ChEMBL_702766 (CHEMBL1655209)	Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane
50039352	2	ChEMBL_702767 (CHEMBL1655210)	Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane
50039352	3	ChEMBL_702773 (CHEMBL1655216)	Displacement of [11C]PK11195 from low affinity binding site of TSPO in human brain membrane homogenate by scintillation counting
50039352	4	ChEMBL_702771 (CHEMBL1655214)	Displacement of [11C]PK11195 from high affinity binding site of TSPO in human brain membrane homogenate by scintillation counting
50039352	5	ChEMBL_702772 (CHEMBL1655215)	Displacement of [11C]PK11195 from mixed affinity binding site of TSPO in human brain membrane homogenate by scintillation counting
50039353	1	ChEMBL_702774 (CHEMBL1655217)	Transactivation of Gal4-fused human PPARalpha expressed in HEK293 cells after 16 to 20 hrs by luciferase reporter gene assay
50039353	2	ChEMBL_702775 (CHEMBL1655218)	Transactivation of Gal4-fused human PPARdelta expressed in HEK293 cells after 16 to 20 hrs by luciferase reporter gene assay
50039353	3	ChEMBL_702776 (CHEMBL1655219)	Transactivation of Gal4-fused human PPARgamma expressed in HEK293 cells after 16 to 20 hrs by luciferase reporter gene assay
50039354	1	ChEMBL_702782 (CHEMBL1655225)	Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay
50039354	2	ChEMBL_702783 (CHEMBL1655226)	Inhibition of human cathepsin S after 30 mins by spectrophotometric assay
50039354	3	ChEMBL_702784 (CHEMBL1655227)	Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assay
50039354	4	ChEMBL_702785 (CHEMBL1655228)	Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay
50039355	1	ChEMBL_702792 (CHEMBL1655235)	Inhibition of adenosine deaminase
50039355	2	ChEMBL_702791 (CHEMBL1655234)	Inhibition of calf intestine adenosine deaminase by Lineweaver-Burk plot analysis
50039355	3	ChEMBL_702790 (CHEMBL1655233)	Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysis
50039356	2	ChEMBL_701435 (CHEMBL1655853)	Inhibition of MMP12
50039357	1	ChEMBL_701578 (CHEMBL1656337)	Inhibition of Aurora A by ELISA
50001198	1	ChEBML_1711686	Inhibition of INSR (unknown origin)
50001198	2	ChEBML_1711679	Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrate addition measured after 120 mins by fluorescence polarization assay
50039358	1	ChEMBL_701749 (CHEMBL1656752)	Irreversible inhibition of His-tagged rat FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins before oleamide substrate addition
50039358	2	ChEMBL_701748 (CHEMBL1656751)	Inhibition of His-tagged human FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins before oleamide substrate addition
50039358	3	ChEMBL_701747 (CHEMBL1656750)	Inhibition of CYP3A4 uisng testosterone substrate
50039358	4	ChEMBL_701746 (CHEMBL1656749)	Inhibition of CYP3A4 uisng midazolam substrate
50039358	5	ChEMBL_701745 (CHEMBL1656748)	Inhibition of CYP2D6
50039359	1	ChEMBL_701933 (CHEMBL1657357)	Binding affinity to mouse Stat3 by surface plasmon resonance assay
50039359	2	ChEMBL_701934 (CHEMBL1657358)	Inhibition of mouse Stat3 DNA binding activity by EMSA
50039360	1	ChEMBL_702118 (CHEMBL1655348)	Inhibition of Escherichia coli DXR
50039361	1	ChEMBL_705623 (CHEMBL1661507)	Binding affinity to first site on human serum albumin by SPR
50039362	1	ChEMBL_705366 (CHEMBL1662791)	Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by Western blotting at pH 5.5 in presence of 100 uM Bocillin FL
50039362	2	ChEMBL_705367 (CHEMBL1662792)	Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by Western blotting at pH 7.4 in presence of 100 uM Bocillin FL
50039363	1	ChEMBL_710365 (CHEMBL1653326)	Inhibition of human DHFR
50039363	2	ChEMBL_710363 (CHEMBL1653324)	Inhibition of Bacillus anthracis DHFR
50001198	3	ChEBML_1711688	Inhibition of DDR2 (unknown origin)
50039364	1	ChEMBL_714615 (CHEMBL1663293)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counting
50039364	2	ChEMBL_714765 (CHEMBL1663571)	Inhibition of human adenosine A1 receptor
50039364	3	ChEMBL_714766 (CHEMBL1663572)	Inhibition of human adenosine A2A receptor
50039364	5	ChEMBL_714794 (CHEMBL1663600)	Inhibition of human muscarinic M2 receptor
50039364	6	ChEMBL_714793 (CHEMBL1663599)	Inhibition of human muscarinic M1 receptor
50039364	7	ChEMBL_714791 (CHEMBL1663597)	Inhibition of human leukotriene D4 receptor
50039364	8	ChEMBL_714790 (CHEMBL1663596)	Inhibition of rat histamine H3 receptor
50039364	9	ChEMBL_714789 (CHEMBL1663595)	Inhibition of guinea pig histamine H2 receptor
50039364	10	ChEMBL_714788 (CHEMBL1663594)	Inhibition of guinea pig histamine H1 receptor
50039364	11	ChEMBL_714773 (CHEMBL1663579)	Inhibition of human angiotensin II AT2 receptor
50039364	12	ChEMBL_714778 (CHEMBL1663584)	Inhibition of human dopamine D3 receptor
50039364	13	ChEMBL_714769 (CHEMBL1663575)	Inhibition of human alpha1 adrenoceptor
50001198	4	ChEBML_1711683	Inhibition of JNK1 (unknown origin)
50039364	15	ChEMBL_714771 (CHEMBL1663577)	Inhibition of human aorepinephrine transporter
50039364	16	ChEMBL_714772 (CHEMBL1663578)	Inhibition of human angiotensin II AT1 receptor
50039364	17	ChEMBL_714775 (CHEMBL1663581)	Inhibition of human cannabinoid CB1 receptor
50039364	18	ChEMBL_714776 (CHEMBL1663582)	Inhibition of human dopamine D1 receptor
50039364	19	ChEMBL_714777 (CHEMBL1663583)	Inhibition of human dopamine D2 receptor
50039364	20	ChEMBL_714780 (CHEMBL1663586)	Inhibition of human dopamine transporter
50039364	21	ChEMBL_714885 (CHEMBL1663831)	Inhibition of human acetylcholine esterase
50039364	22	ChEMBL_714884 (CHEMBL1663830)	Inhibition of rat tyrosine hydroxylase
50039364	23	ChEMBL_714883 (CHEMBL1663829)	Inhibition of human monoamine oxidase B
50039364	24	ChEMBL_714882 (CHEMBL1663828)	Inhibition of human monoamine oxidase A
50039364	25	ChEMBL_714878 (CHEMBL1663824)	Inhibition of rat SK Calcium channel
50039364	26	ChEMBL_714804 (CHEMBL1663610)	Inhibition of human estrogen receptor beta
50039364	27	ChEMBL_714803 (CHEMBL1663609)	Inhibition of human glucocorticoid receptor
50039364	28	ChEMBL_714801 (CHEMBL1663607)	Inhibition of human 5-HT transporter
50039364	29	ChEMBL_714800 (CHEMBL1663606)	Inhibition of human 5-HT2A receptor
50039364	30	ChEMBL_714798 (CHEMBL1663604)	Inhibition of human tachykinin NK1 receptor
50039364	31	ChEMBL_714795 (CHEMBL1663601)	Inhibition of human muscarinic M3 receptor
50039364	34	ChEMBL_714497 (CHEMBL1659155)	Displacement of [3H]enadoline from human KOP receptor expressed in HEK-293 cells after 45 mins
50001198	5	ChEBML_1711684	Inhibition of PI3Kgamma (unknown origin)
50001198	6	ChEBML_1711680	Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addition by ELISA
50039364	36	ChEMBL_714495 (CHEMBL1659153)	Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cells after 45 mins
50001198	7	ChEBML_1711685	Inhibition of IKK1 (unknown origin)
50001198	8	ChEBML_1711682	Inhibition of GSK3beta (unknown origin)
50039365	1	ChEMBL_715532 (CHEMBL1663348)	Inhibition of DPP4 after 20 mins by fluorescence assay
50039365	2	ChEMBL_715533 (CHEMBL1663349)	Inhibition of DPP8 after 20 mins by fluorescence assay
50039365	3	ChEMBL_715534 (CHEMBL1663350)	Inhibition of DPP9 after 20 mins by fluorescence assay
50039366	1	ChEMBL_717106 (CHEMBL1671282)	Inhibition of CYP19
50039366	2	ChEMBL_717110 (CHEMBL1671286)	Inhibition of Xanthine oxidase
50039367	1	ChEMBL_717112 (CHEMBL1671288)	Inhibition of human erythrocytes acetylcholinesterase after 15 mins
50039368	1	ChEMBL_717116 (CHEMBL1671292)	Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced transactivation after 24 hrs by luciferase reporter gene assay
50039369	1	ChEMBL_717261 (CHEMBL1669884)	Inhibition of GSK3-beta by luminescent assay
50039370	1	ChEMBL_717279 (CHEMBL1669902)	Inhibition of human CYP3A4
50039371	1	ChEMBL_717286 (CHEMBL1669909)	Inhibition of CYP3A4 after 30 mins by fluorometric assay
50039371	2	ChEMBL_717287 (CHEMBL1669910)	Inhibition of CYP2D6 after 30 mins by fluorometric assay
50039372	5	ChEMBL_717386 (CHEMBL1670108)	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50039372	6	ChEMBL_717382 (CHEMBL1670104)	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50001198	11	ChEMBL_1711683 (CHEMBL4121732)	Inhibition of JNK1 (unknown origin)
50001198	12	ChEMBL_1711679 (CHEMBL4121728)	Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrate addition measured after 120 mins by fluorescence polarization assay
50039375	1	ChEMBL_725845 (CHEMBL1678441)	Positive allosteric modulation of human mGluR4 expressed in CHO cells coexpressing Gqi5 assessed as calcium mobilization
50039375	2	ChEMBL_725846 (CHEMBL1678442)	Positive allosteric modulation of rat mGluR4 expressed in CHO cells coexpressing Gqi5 assessed as calcium mobilization
50039376	1	ChEMBL_718211 (CHEMBL1679257)	Inhibition of recombinant CYP1A2 after 28 mins
50039376	2	ChEMBL_718215 (CHEMBL1679409)	Inhibition of recombinant CYP3A4 after 30 mins
50039376	3	ChEMBL_718214 (CHEMBL1679408)	Inhibition of recombinant CYP2D6 after 45 mins
50039376	4	ChEMBL_718213 (CHEMBL1679259)	Inhibition of recombinant CYP2C19 after 45 mins
50039376	5	ChEMBL_718212 (CHEMBL1679258)	Inhibition of recombinant CYP2C9 after 45 mins
50039376	6	ChEMBL_718205 (CHEMBL1679251)	Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation counting
50039376	7	ChEMBL_718223 (CHEMBL1679417)	Displacement of [3H]-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO-K1 cells after 60 mins
50039376	8	ChEMBL_718204 (CHEMBL1679250)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting
50039376	9	ChEMBL_718222 (CHEMBL1679416)	Displacement of [3H]-MRS1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 60 mins
50039377	2	ChEMBL_718350 (CHEMBL1679770)	Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay
50039377	3	ChEMBL_718342 (CHEMBL1679762)	Inhibition of CYP2D6
50039377	4	ChEMBL_718343 (CHEMBL1679763)	Inhibition of CYP3A4
50039377	9	ChEMBL_718352 (CHEMBL1679772)	Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells by TR-FRET assay
50039377	10	ChEMBL_718354 (CHEMBL1679774)	Agonist activity at LXRalpha by TR-FRET assay
50039377	12	ChEMBL_718356 (CHEMBL1679776)	Agonist activity at RARalpha by TR-FRET assay
50039377	13	ChEMBL_718357 (CHEMBL1679777)	Antagonist activity at ERRgamma LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay
50039377	14	ChEMBL_718358 (CHEMBL1679778)	Antagonist activity at ERalpha by TR-FRET assay
50039377	30	ChEMBL_718347 (CHEMBL1679767)	Binding affinity to PPARgamma by fluorescence polarization assay
50001198	10	ChEMBL_1711682 (CHEMBL4121731)	Inhibition of GSK3beta (unknown origin)
50001198	9	ChEBML_1711687	Inhibition of aurora A (unknown origin)
50039378	1	ChEMBL_718668 (CHEMBL1680819)	Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay
50039378	2	ChEMBL_718669 (CHEMBL1680820)	Antagonist activity against human P2Y4 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay
50039378	3	ChEMBL_718670 (CHEMBL1680821)	Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay
50039378	4	ChEMBL_718658 (CHEMBL1680809)	Antagonist activity against rat P2X4 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology
50039378	5	ChEMBL_718677 (CHEMBL1680828)	Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as maximum alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology in presence of 10 uM ATP
50039378	6	ChEMBL_718659 (CHEMBL1680810)	Antagonist activity against rat P2X1 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology
50039378	7	ChEMBL_718660 (CHEMBL1680811)	Antagonist activity against rat P2X3 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology
50039378	9	ChEMBL_718662 (CHEMBL1680813)	Antagonist activity against rat P2X7 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology
50039378	10	ChEMBL_718656 (CHEMBL1680807)	Antagonist activity against rat P2X2 receptor expressed in Xenopus laevis oocyte assessed as inhibition of alpha, beta-meATP-induced inward current by two-electrode voltage-clamp electrophysiology
50039378	11	ChEMBL_718672 (CHEMBL1680823)	Displacement of [3H]PSB0413 from human platelet P2Y12 receptor
50039379	1	ChEMBL_718678 (CHEMBL1680829)	Inhibition of DPP4 in human Caco2 cells after 60 mins
50039379	2	ChEMBL_718679 (CHEMBL1680830)	Inhibition of rat kidney DPP2 after 60 mins
50039379	3	ChEMBL_718680 (CHEMBL1680831)	Inhibition of FLAG-tagged human DPP8 expressed in human 293F cells after 90 mins
50039379	4	ChEMBL_718681 (CHEMBL1680832)	Inhibition of FLAG-tagged human DPP9 expressed in human 293F cells after 90 mins
50039380	1	ChEMBL_718701 (CHEMBL1680920)	Inhibition of human soluble epoxide hydrolase in cell free system
50039380	2	ChEMBL_718702 (CHEMBL1680921)	Inhibition of rat soluble epoxide hydrolase in cell free system
50039380	3	ChEMBL_718703 (CHEMBL1680922)	Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins
50039381	1	ChEMBL_718814 (CHEMBL1681196)	Inhibition of XIAP by FRET assay
50039381	2	ChEMBL_718816 (CHEMBL1681198)	Inhibition of XIAP by FP assay
50039381	3	ChEMBL_718821 (CHEMBL1681203)	Inhibition of XIAP-Bir3 domain by calorimetric titration assay
50039381	4	ChEMBL_718822 (CHEMBL1681204)	Inhibition of XIAP-Bir3 domain by NMR titration
50039382	1	ChEMBL_718824 (CHEMBL1681206)	Competitive inhibition of human MAO B by spectrophotometry
50039382	2	ChEMBL_718826 (CHEMBL1681208)	Competitive inhibition of rat MAO B by spectrophotometry
50039382	3	ChEMBL_718832 (CHEMBL1681214)	Competitive inhibition of zebrafish MAO by spectrophotometry
50039383	1	ChEMBL_718850 (CHEMBL1681232)	Displacement of [3H]MPEP from mGluR5 in rat brain
50039383	2	ChEMBL_718851 (CHEMBL1681233)	Binding affinity to 5HT1A receptor
50039383	3	ChEMBL_718852 (CHEMBL1681234)	Binding affinity to 5HT1B receptor
50039383	4	ChEMBL_718853 (CHEMBL1681235)	Binding affinity to 5HT1D receptor
50039383	5	ChEMBL_718854 (CHEMBL1681236)	Binding affinity to 5HT1E receptor
50039383	6	ChEMBL_718855 (CHEMBL1681237)	Binding affinity to 5HT2A receptor
50039383	7	ChEMBL_718856 (CHEMBL1681238)	Binding affinity to 5HT2B receptor
50039383	8	ChEMBL_718857 (CHEMBL1681239)	Binding affinity to 5HT2C receptor
50039383	9	ChEMBL_718858 (CHEMBL1681240)	Binding affinity to 5HT3 receptor
50039383	10	ChEMBL_718859 (CHEMBL1681241)	Binding affinity to 5HT5A receptor
50039383	11	ChEMBL_718860 (CHEMBL1681242)	Binding affinity to 5HT6 receptor
50039383	12	ChEMBL_718861 (CHEMBL1681243)	Binding affinity to 5HT7 receptor
50039383	13	ChEMBL_718862 (CHEMBL1681244)	Binding affinity to adrenergic alpha1A receptor
50039383	14	ChEMBL_718863 (CHEMBL1681245)	Binding affinity to adrenergic Alpha-1B receptor
50039383	15	ChEMBL_718864 (CHEMBL1681246)	Binding affinity to adrenergic Alpha-1D receptor
50039383	16	ChEMBL_718865 (CHEMBL1681247)	Binding affinity to adrenergic alpha2A receptor
50039383	18	ChEMBL_718867 (CHEMBL1681361)	Binding affinity to adrenergic Alpha-2C receptor
50039383	19	ChEMBL_718868 (CHEMBL1681362)	Binding affinity to adrenergic beta1 receptor
50039383	21	ChEMBL_718870 (CHEMBL1681364)	Binding affinity to adrenergic beta3 receptor
50039383	22	ChEMBL_718872 (CHEMBL1681366)	Binding affinity to dopamine D1 receptor
50039383	23	ChEMBL_718873 (CHEMBL1681367)	Binding affinity to dopamine D2 receptor
50039383	24	ChEMBL_718874 (CHEMBL1681368)	Binding affinity to dopamine D3 receptor
50039383	25	ChEMBL_718155 (CHEMBL1679201)	Binding affinity to dopamine D4 receptor
50039383	26	ChEMBL_718156 (CHEMBL1679202)	Binding affinity to dopamine D5 receptor
50039383	27	ChEMBL_718157 (CHEMBL1679203)	Binding affinity to DAT
50039383	29	ChEMBL_718160 (CHEMBL1679206)	Binding affinity to KOR
50039383	30	ChEMBL_718161 (CHEMBL1679207)	Binding affinity to histamine H1 receptor
50039383	31	ChEMBL_718162 (CHEMBL1679208)	Binding affinity to histamine H2 receptor
50039383	32	ChEMBL_718163 (CHEMBL1679209)	Binding affinity to histamine H3 receptor
50039383	33	ChEMBL_718164 (CHEMBL1679210)	Binding affinity to histamine H4 receptor
50039383	34	ChEMBL_718165 (CHEMBL1679211)	Binding affinity to muscarinic M1 receptor
50039383	35	ChEMBL_718166 (CHEMBL1679212)	Binding affinity to muscarinic M2 receptor
50039383	36	ChEMBL_718167 (CHEMBL1679213)	Binding affinity to muscarinic M3 receptor
50039383	37	ChEMBL_718168 (CHEMBL1679214)	Binding affinity to muscarinic M4 receptor
50039383	38	ChEMBL_718169 (CHEMBL1679215)	Binding affinity to muscarinic M5 receptor
50039383	39	ChEMBL_718170 (CHEMBL1679216)	Binding affinity to mGluR1 receptor
50039383	40	ChEMBL_718171 (CHEMBL1679217)	Binding affinity to mGluR2 receptor
50039383	41	ChEMBL_718172 (CHEMBL1679218)	Binding affinity to mGluR4 receptor
50039383	42	ChEMBL_718173 (CHEMBL1679219)	Binding affinity to mGluR6 receptor
50039383	43	ChEMBL_718174 (CHEMBL1679220)	Binding affinity to mGluR8 receptor
50039383	44	ChEMBL_718175 (CHEMBL1679221)	Binding affinity to MOR
50039383	45	ChEMBL_718176 (CHEMBL1679222)	Binding affinity to NET
50039383	46	ChEMBL_718178 (CHEMBL1679224)	Binding affinity to SERT receptor
50039383	47	ChEMBL_718179 (CHEMBL1679225)	Binding affinity to sigma 1 receptor
50039384	1	ChEMBL_718181 (CHEMBL1679227)	Inhibition of recombinant HePTP expressed in Escherichia coli
50039384	2	ChEMBL_718182 (CHEMBL1679228)	Inhibition of recombinant VHR expressed in Escherichia coli
50039384	3	ChEMBL_718183 (CHEMBL1679229)	Inhibition of recombinant MKP3 expressed in Escherichia coli
50039384	4	ChEMBL_718192 (CHEMBL1679238)	Competitive inhibition of recombinant HePTP expressed in Escherichia coli by Michaelis-Menten kinetic analysis
50039385	1	ChEMBL_718437 (CHEMBL1680101)	Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting
50039385	2	ChEMBL_718438 (CHEMBL1680102)	Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting
50039385	3	ChEMBL_718442 (CHEMBL1680106)	Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting
50039385	4	ChEMBL_718443 (CHEMBL1680107)	Displacement of [3H]domperidone from rat cloned dopamine D3 receptor
50039385	5	ChEMBL_718439 (CHEMBL1680103)	Binding affinity to dopamine D1 receptor low binding site by radioligand displacement assay
50039385	6	ChEMBL_718440 (CHEMBL1680104)	Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay
50039385	7	ChEMBL_718441 (CHEMBL1680105)	Displacement of [3H]domperidone from human dopamine D3 receptor expressed in human HEK293 cells by scintillation counting
50039385	8	ChEMBL_718436 (CHEMBL1680100)	Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting
50039386	1	ChEMBL_718468 (CHEMBL1680132)	Inhibition of human recombinant HDAC1
50039386	2	ChEMBL_718469 (CHEMBL1680133)	Inhibition of human recombinant HDAC2
50039386	3	ChEMBL_718470 (CHEMBL1680134)	Inhibition of human recombinant HDAC3
50039386	4	ChEMBL_718471 (CHEMBL1680135)	Inhibition of human recombinant HDAC8
50039386	5	ChEMBL_718472 (CHEMBL1680136)	Inhibition of human recombinant HDAC4
50039386	6	ChEMBL_718473 (CHEMBL1680137)	Inhibition of human recombinant HDAC5
50039386	7	ChEMBL_718474 (CHEMBL1680138)	Inhibition of human recombinant HDAC7
50039386	8	ChEMBL_718475 (CHEMBL1680139)	Inhibition of human recombinant HDAC9
50039386	9	ChEMBL_718476 (CHEMBL1680140)	Inhibition of human recombinant HDAC6
50039387	1	ChEMBL_718910 (CHEMBL1681404)	Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes
50039387	2	ChEMBL_718912 (CHEMBL1681406)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain membranes
50039387	3	ChEMBL_718914 (CHEMBL1681408)	Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain membranes
50039388	1	ChEMBL_718922 (CHEMBL1681416)	Displacement of [125I]kisspeptin-15 from GPR54
50039388	2	ChEMBL_718923 (CHEMBL1681417)	Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR1 after 2 hrs
50039388	3	ChEMBL_718924 (CHEMBL1681418)	Displacement of (D-[125I]Tyr1, MePhe3)-NPFF from NPFFR2 after 2 hrs
50039389	1	ChEMBL_719143 (CHEMBL1679493)	Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting
50039389	2	ChEMBL_719148 (CHEMBL1679498)	Binding affinity to PBR
50039390	1	ChEMBL_718964 (CHEMBL1681586)	Inhibition of human recombinant PKD1 after 10 mins by radiometric assay
50039390	2	ChEMBL_718965 (CHEMBL1681587)	Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting
50039390	3	ChEMBL_718966 (CHEMBL1681588)	Inhibition of human recombinant PKD2 after 10 mins by radiometric assay
50039391	1	ChEMBL_718976 (CHEMBL1681598)	Inhibition of ovine purified COX1 after 20 mins
50039391	2	ChEMBL_718977 (CHEMBL1681599)	Inhibition of mouse purified COX2 after 20 mins
50039391	3	ChEMBL_718978 (CHEMBL1681600)	Inhibition of COX2 in mouse LPS-stimulated RAW264.7 cells after 30 mins
50039392	1	ChEMBL_719084 (CHEMBL1679295)	Binding affinity to ERK5 by immobilized ligand displacement assay
50039392	2	ChEMBL_719085 (CHEMBL1679296)	Binding affinity to DCAMKL1 by immobilized ligand displacement assay
50039392	3	ChEMBL_719086 (CHEMBL1679297)	Binding affinity to DCAMKL2 by immobilized ligand displacement assay
50039392	4	ChEMBL_719087 (CHEMBL1679298)	Binding affinity to GAK by immobilized ligand displacement assay
50039392	5	ChEMBL_719088 (CHEMBL1679299)	Binding affinity to TNK1 by immobilized ligand displacement assay
50039392	6	ChEMBL_719089 (CHEMBL1679300)	Binding affinity to TNK2 by immobilized ligand displacement assay
50039392	7	ChEMBL_719091 (CHEMBL1679302)	Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis
50039393	1	ChEMBL_728149 (CHEMBL1687150)	Inhibition of 17,20 lyase activity in Sprague-Dawley rat testicular microsomes
50039393	2	ChEMBL_728153 (CHEMBL1687154)	Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland
50039393	3	ChEMBL_728150 (CHEMBL1687151)	Inhibition of 17,20 lyase activity in human
50039393	4	ChEMBL_728151 (CHEMBL1687152)	Inhibition of human CYP3A4
50039393	5	ChEMBL_728154 (CHEMBL1687155)	Inhibition of human CYP2C8
50039393	6	ChEMBL_728156 (CHEMBL1687157)	Inhibition of human CYP2D6
50039394	1	ChEMBL_728312 (CHEMBL1687572)	Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate
50039394	2	ChEMBL_728313 (CHEMBL1687573)	Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate by Lineweaver-Burk plot analysis
50039395	2	ChEMBL_728689 (CHEMBL1685966)	Inhibition of c-Myc tagged human recombinant ACC1 expressed in baculovirus infected Sf9 cell system assessed as malonyl-CoA synthesis
50039395	3	ChEMBL_728690 (CHEMBL1685967)	Inhibition of c-Myc tagged human recombinant ACC2 expressed in baculovirus infected Sf9 cell system assessed as malonyl-CoA synthesis
50039396	1	ChEMBL_726860 (CHEMBL1686566)	Inhibition of rat intestinal sucrase
50039396	2	ChEMBL_726861 (CHEMBL1686567)	Inhibition of rat intestinal isomaltase
50039396	3	ChEMBL_726859 (CHEMBL1686565)	Inhibition of rat intestinal maltase
50039397	1	ChEMBL_727265 (CHEMBL1687359)	Inhibition of CDK2/cyclin E
50039397	2	ChEMBL_727259 (CHEMBL1687353)	Inhibition of ALK
50039397	3	ChEMBL_727270 (CHEMBL1687364)	inhibition of GSK3-beta
50039397	4	ChEMBL_727230 (CHEMBL1687324)	Inhibition of C-Raf assessed as [33P]gamma-ATP incorporation into substrate after 40 mins by scintillation counting
50039397	5	ChEMBL_727279 (CHEMBL1687373)	inhibition of RAF1
50039397	6	ChEMBL_727264 (CHEMBL1687358)	Inhibition of CDK1/cyclin B
50039397	7	ChEMBL_727258 (CHEMBL1687352)	Inhibition of FAK
50039397	8	ChEMBL_727263 (CHEMBL1687357)	Inhibition of c-Src
50039397	9	ChEMBL_727273 (CHEMBL1687367)	inhibition of KDR
50039397	10	ChEMBL_727274 (CHEMBL1687368)	inhibition of MEK1
50039397	11	ChEMBL_727269 (CHEMBL1687363)	inhibition of FGFR3
50039397	12	ChEMBL_727271 (CHEMBL1687365)	inhibition of IGF-1R
50039397	13	ChEMBL_727266 (CHEMBL1687360)	Inhibition of EGFR
50039397	14	ChEMBL_727278 (CHEMBL1687372)	inhibition of PLK1
50039397	15	ChEMBL_727262 (CHEMBL1687356)	Inhibition of c-MET
50039397	16	ChEMBL_727280 (CHEMBL1687374)	inhibition of RON
50039397	17	ChEMBL_727286 (CHEMBL1687380)	inhibition of JNK1a1 at 10 uM
50039397	18	ChEMBL_727275 (CHEMBL1687369)	inhibition of mTOR
50039397	19	ChEMBL_727267 (CHEMBL1687361)	Inhibition of ERK2
50039397	20	ChEMBL_727285 (CHEMBL1687379)	inhibition of JNK3
50039398	1	ChEMBL_729482 (CHEMBL1696279)	Inhibition of human MDR1 expressed in mouse L5178 cells assessed as increase in intracellular accumulation of rhodamine 123 by FACSCalibur flow cytometry
50039399	1	ChEMBL_730137 (CHEMBL1696017)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM
50039399	2	ChEMBL_730139 (CHEMBL1696019)	Agonist activity at human adenosine A2A receptor expressed in CHO cells by cyclic AMP functional assay
50039399	3	ChEMBL_730140 (CHEMBL1696020)	Agonist activity at human adenosine A2B receptor expressed in CHO cells by cyclic AMP functional assay
50039399	4	ChEMBL_730134 (CHEMBL1696014)	Displacement of [3H]CGS21680 from human adenosine A2A receptor in HEK293 cells
50039400	1	ChEMBL_730212 (CHEMBL1696307)	Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay
50039402	1	ChEMBL_735988 (CHEMBL1692419)	Inhibition of ovine COX-1
50039402	2	ChEMBL_735989 (CHEMBL1692420)	Inhibition of human recombinant COX-2
50039403	1	ChEMBL_736246 (CHEMBL1693390)	Inhibition of Drosophila melanogaster GM2b by spectrophotometry
50039404	1	ChEMBL_736705 (CHEMBL1695086)	Inhibition of PSD-95 PDZ3 domain by competitive fluorescence polarization assay
50039404	2	ChEMBL_736707 (CHEMBL1695088)	Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay
50039405	1	ChEMBL_741244 (CHEMBL1764613)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells by time resolved-fluorescent assay
50039405	2	ChEMBL_741281 (CHEMBL1764697)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
50039405	3	ChEMBL_741282 (CHEMBL1764698)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in baculovirus-SF21 cell system preincubated for 5 mins by time resolved-fluorescent assay
50039405	4	ChEMBL_741283 (CHEMBL1764699)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in baculovirus-SF21 cell system preincubated for 10 mins by time resolved-fluorescent assay
50039405	5	ChEMBL_741284 (CHEMBL1764700)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in baculovirus-SF21 cell system preincubated for 30 mins by time resolved-fluorescent assay
50039405	6	ChEMBL_741285 (CHEMBL1764701)	Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in baculovirus-SF21 cell system preincubated for 60 mins by time resolved-fluorescent assay
50039405	7	ChEMBL_741286 (CHEMBL1764702)	Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulated MCF7 cells preincubated for 60 mins by ELISA
50039405	8	ChEMBL_741336 (CHEMBL1764805)	Inhibition of insulin receptor kinase
50039405	9	ChEMBL_741272 (CHEMBL1764688)	Inhibition of CYP3A4
50039405	10	ChEMBL_741273 (CHEMBL1764689)	Inhibition of CYP1A2
50039405	11	ChEMBL_741274 (CHEMBL1764690)	Inhibition of CYP2D6
50039405	12	ChEMBL_741275 (CHEMBL1764691)	Inhibition of CYP2C19
50039405	13	ChEMBL_741276 (CHEMBL1764692)	Inhibition of CYP2C9
50039405	14	ChEMBL_741278 (CHEMBL1764694)	Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulated MCF7 cells by ELISA
50039406	1	ChEMBL_740341 (CHEMBL1764342)	Inhibition of human recombinant IKK-beta expressed in insect Sf21 cells using phospho-Ulight-IkappaB-alpha as substrate at 30 uM
50039406	2	ChEMBL_740342 (CHEMBL1764343)	Inhibition of human recombinant IKK-alpha expressed in insect Sf21 cells using phospho-Ulight-IkappaB-alpha as substrate at 30 uM
50039406	3	ChEMBL_740343 (CHEMBL1764344)	Inhibition of human CHK2 kinase expressed in insect Sf21 cells using phospho-CREBtide as substrate at 30 uM
50039406	4	ChEMBL_740399 (CHEMBL1764457)	Inhibition of human recombinant IKK-beta expressed in insect Sf21 cells using phospho-Ulight-IkappaB-alpha as substrate
50039407	1	ChEMBL_742513 (CHEMBL1769272)	Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of LTB4 production preincubated for 15 mins measured after 10 mins by HPLC method
50039407	2	ChEMBL_742514 (CHEMBL1769273)	Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
50039407	3	ChEMBL_742515 (CHEMBL1769274)	Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of LTB4 production preincubated for 15 mins measured after 10 mins by HPLC method
50039407	4	ChEMBL_742516 (CHEMBL1769275)	Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
50039407	5	ChEMBL_742520 (CHEMBL1769279)	Inhibition of 5-lipoxygenase
50039408	1	ChEMBL_742590 (CHEMBL1769433)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting
50039408	6	ChEMBL_742583 (CHEMBL1769426)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50001198	13	ChEMBL_1711686 (CHEMBL4121735)	Inhibition of INSR (unknown origin)
50001198	14	ChEMBL_1711685 (CHEMBL4121734)	Inhibition of IKK1 (unknown origin)
50001198	15	ChEMBL_1711684 (CHEMBL4121733)	Inhibition of PI3Kgamma (unknown origin)
50039409	1	ChEMBL_743289 (CHEMBL1767488)	Inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase by VP-ITC microcalorimeter
50039409	3	ChEMBL_743288 (CHEMBL1767487)	Irreversible inhibition of Methanobacterium thermoautotrophicum 5'-monophosphate decarboxylase
50039410	1	ChEMBL_743625 (CHEMBL1768168)	Displacement of [125I]BH-SP from human recombinant NK1 receptor expressed in CHO cells after 90 mins
50039411	1	ChEMBL_743741 (CHEMBL1767555)	Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes
50039411	2	ChEMBL_743740 (CHEMBL1767554)	Displacement of [3H]CP55940 from CB2 receptor
50039411	3	ChEMBL_743926 (CHEMBL1767920)	Binding affinity to 5HT1D receptor by radioligand binding assay
50039411	4	ChEMBL_743927 (CHEMBL1767921)	Binding affinity to opamine D5 receptor by radioligand binding assay
50039411	5	ChEMBL_743739 (CHEMBL1767553)	Displacement of [3H]CP55940 from CB1 receptor
50039411	6	ChEMBL_743925 (CHEMBL1767919)	Binding affinity to 5HT2A receptor by radioligand binding assay
50039411	7	ChEMBL_743928 (CHEMBL1767922)	Binding affinity to kappa opioid receptor by radioligand binding assay
50039412	2	ChEMBL_743045 (CHEMBL1768516)	Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry
50039413	1	ChEMBL_744749 (CHEMBL1772770)	Inhibition of PPIase activity of Cyclophilin A by Spectrophotometry
50039413	2	ChEMBL_744750 (CHEMBL1772771)	Binding affinity to Cyclophilin A
50039414	1	ChEMBL_745246 (CHEMBL1775840)	Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by microplate spectrophotometer analysis
50039414	2	ChEMBL_745275 (CHEMBL1775307)	Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB
50039414	3	ChEMBL_745324 (CHEMBL1775399)	Competitive inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB assessed as production of p-nitrophenol from pNPP substrate by Lineweaver-Burk plot analysis
50039414	4	ChEMBL_745323 (CHEMBL1775398)	Inhibition of human PTPB expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	5	ChEMBL_745232 (CHEMBL1775826)	Non-competitive inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB assessed as production of p-nitrophenol from pNPP substrate by Lineweaver-Burk plot analysis
50039414	6	ChEMBL_745231 (CHEMBL1775825)	Inhibition of Mycobacterium tuberculosis PTPA expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	7	ChEMBL_745230 (CHEMBL1775824)	Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	8	ChEMBL_745229 (CHEMBL1775823)	Inhibition of human SHP2 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	9	ChEMBL_745228 (CHEMBL1775822)	Inhibition of human Lyp expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	10	ChEMBL_745227 (CHEMBL1775821)	Inhibition of human FAP1 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	11	ChEMBL_745338 (CHEMBL1775413)	Inhibition of human MEG2 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	12	ChEMBL_745337 (CHEMBL1775412)	Inhibition of human LAR expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	13	ChEMBL_745336 (CHEMBL1775411)	Inhibition of human PTPalpha expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	14	ChEMBL_745335 (CHEMBL1775410)	Inhibition of human VHR expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	15	ChEMBL_745333 (CHEMBL1775408)	Inhibition of human MKP3 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	16	ChEMBL_745332 (CHEMBL1775407)	Inhibition of human PRL1 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	17	ChEMBL_745331 (CHEMBL1775406)	Inhibition of human PRL3 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039414	18	ChEMBL_745330 (CHEMBL1775405)	Inhibition of human Cdc14A expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis
50039415	1	ChEMBL_745717 (CHEMBL1776087)	Competitive inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic by spectrophotometry
50039415	2	ChEMBL_745719 (CHEMBL1776089)	Inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by slope intercepts of mixed-type inhibition against compound concentration by spectrophotometry
50039415	3	ChEMBL_745718 (CHEMBL1776088)	Mixed-type inhibition of human recombinant Serine hydroxymethyltransferase, cytosolic measured by Y-axes intercepts of mixed-type inhibition against compound concentration by spectrophotometry
50039415	4	ChEMBL_745716 (CHEMBL1776086)	Binding affinity to human recombinant Serine hydroxymethyltransferase, cytosolic by isothermal titration calorimetry
50039416	1	ChEMBL_746956 (CHEMBL1777322)	Inhibition of CYP1A2
50039416	2	ChEMBL_747039 (CHEMBL1777405)	Inhibition of CYP2B6
50039416	3	ChEMBL_747040 (CHEMBL1777406)	Inhibition of CYP2C8
50039416	4	ChEMBL_747041 (CHEMBL1777407)	Inhibition of CYP2C9
50039416	5	ChEMBL_747042 (CHEMBL1777408)	Inhibition of CYP2C19
50039416	6	ChEMBL_747043 (CHEMBL1777409)	Inhibition of CYP2D6
50039416	7	ChEMBL_747044 (CHEMBL1777410)	Inhibition of CYP3A4
50039416	8	ChEMBL_746947 (CHEMBL1777313)	Inhibition of human CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50039416	9	ChEMBL_746939 (CHEMBL1777305)	Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scintillation proximity assay
50039416	10	ChEMBL_746943 (CHEMBL1777309)	Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells
50039417	1	ChEMBL_749026 (CHEMBL1781811)	Inhibition of rat Oat1 expressed in pig LLC-PK11 cells
50039417	2	ChEMBL_749030 (CHEMBL1781815)	Inhibition of rat Oat1 expressed in Xenopus oocytes
50039417	3	ChEMBL_749025 (CHEMBL1781810)	Inhibition of mouse Oat1 expressed in Xenopus oocytes assessed as inhibition 6-carboxyfluorescein uptake after 1 hr by fluorometric analysis
50039417	4	ChEMBL_749031 (CHEMBL1781816)	Inhibition of mouse Oat1 expressed in Xenopus oocytes
50039417	5	ChEMBL_749027 (CHEMBL1781812)	Inhibition of human Oat1 expressed in HEK293 cells
50039417	6	ChEMBL_749028 (CHEMBL1781813)	Inhibition of human Oat1 expressed in Drosophila S2 cells
50039417	7	ChEMBL_749029 (CHEMBL1781814)	Inhibition of Oat1
50039418	1	ChEMBL_750511 (CHEMBL1786272)	Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR
50039418	2	ChEMBL_750514 (CHEMBL1786275)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay
50039418	3	ChEMBL_750515 (CHEMBL1786276)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay
50039418	4	ChEMBL_750516 (CHEMBL1786277)	Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay
50039419	1	ChEMBL_750529 (CHEMBL1786290)	Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90 mins by luminescence based scintillation counter
50039419	2	ChEMBL_750624 (CHEMBL1785470)	Inhibition of SRC catalytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EIYGEFKKK-OH substrate after 30 mins by phosphor imaging analysis
50039419	3	ChEMBL_750625 (CHEMBL1785471)	Inhibition of ABL catalytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EAIYAAPFAKKK-OH substrate after 30 mins by phosphor imaging analysis
50039420	1	ChEMBL_749438 (CHEMBL1786619)	Binding affinity to human phosphorylated c-MET
50039420	2	ChEMBL_749437 (CHEMBL1786618)	Binding affinity to human unphosphorylated c-MET
50039420	3	ChEMBL_750108 (CHEMBL1787525)	Binding affinity to human KIT incubated for 1 hr by kinase binding assay
50039420	4	ChEMBL_750024 (CHEMBL1787162)	Binding affinity to human FLT3 incubated for 1 hr by kinase binding assay
50039420	5	ChEMBL_750155 (CHEMBL1787707)	Inhibition of human FLT3 using gamma-33P-ATP as substrate by scintillation counting
50039420	6	ChEMBL_750156 (CHEMBL1787708)	Inhibition of human KIT using gamma-33P-ATP as substrate by scintillation counting
50001199	1	ChEMBL_1711699 (CHEMBL4121748)	Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay
50039421	7	ChEMBL_753176 (CHEMBL1799269)	Binding affinity to MOR-1 expressed in CHO cells after 90 mins
50039421	8	ChEMBL_753177 (CHEMBL1799270)	Binding affinity to KOR-1 expressed in CHO cells after 90 mins
50039421	12	ChEMBL_753184 (CHEMBL1799277)	Displacement of [125I]-IBNtxA from KOR-1 expressed in CHO cells
50001199	2	ChEMBL_1711701 (CHEMBL4121750)	Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate
50039422	1	ChEMBL_753740 (CHEMBL1799577)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting
50039422	2	ChEMBL_753738 (CHEMBL1799575)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting
50039423	1	ChEMBL_755959 (CHEMBL1803849)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50039424	1	ChEMBL_755794 (CHEMBL1803461)	Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence resonance energy transfer assay
50039424	2	ChEMBL_756080 (CHEMBL1804190)	Inhibition of human Ron
50039424	3	ChEMBL_756081 (CHEMBL1804191)	Inhibition of human Flt1
50039424	4	ChEMBL_756082 (CHEMBL1804192)	Inhibition of human Flt3
50039424	5	ChEMBL_756083 (CHEMBL1804193)	Inhibition of human Mer
50039424	6	ChEMBL_756084 (CHEMBL1804194)	Inhibition of human FGFR2
50039424	7	ChEMBL_756085 (CHEMBL1804195)	Inhibition of human KDR
50039424	8	ChEMBL_756086 (CHEMBL1804196)	Inhibition of human TrkA
50039424	9	ChEMBL_756087 (CHEMBL1804197)	Inhibition of human FGFR3
50039424	10	ChEMBL_756088 (CHEMBL1804198)	Inhibition of human TrkB
50039424	11	ChEMBL_756089 (CHEMBL1804199)	Inhibition of human FGFR1
50039424	12	ChEMBL_756090 (CHEMBL1804346)	Inhibition of human Flt4
50039424	13	ChEMBL_756091 (CHEMBL1804347)	Inhibition of human JAK2
50039424	14	ChEMBL_756092 (CHEMBL1804348)	Inhibition of human Aurora A
50039424	15	ChEMBL_756093 (CHEMBL1804349)	Inhibition of human Ret
50039424	16	ChEMBL_756094 (CHEMBL1804350)	Inhibition of human Abl
50039424	17	ChEMBL_755897 (CHEMBL1803706)	Inhibition of Kv11.1 channel
50039424	18	ChEMBL_756021 (CHEMBL1803997)	Binding affinity to human recombinant His6-tagged unphosphorylated c-Met cytosolic domain
50039424	19	ChEMBL_756020 (CHEMBL1803996)	Binding affinity to human recombinant His6-tagged phosphorylated c-Met cytosolic domain
50039424	20	ChEMBL_756019 (CHEMBL1803995)	Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1235 after 2 hrs by Western blot analysis
50039424	21	ChEMBL_756018 (CHEMBL1803994)	Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1234 after 2 hrs by Western blot analysis
50039424	22	ChEMBL_756017 (CHEMBL1803993)	Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1365 after 2 hrs by Western blot analysis
50039424	23	ChEMBL_756016 (CHEMBL1803992)	Inhibition of recombinant human c-MET phosphorylation at C-terminal Y1235
50039424	24	ChEMBL_756015 (CHEMBL1803991)	Inhibition of recombinant human c-MET phosphorylation at C-terminal Y1234
50039424	25	ChEMBL_756014 (CHEMBL1803990)	Inhibition of recombinant human c-MET phosphorylation at C-terminal Y1230
50039424	26	ChEMBL_756013 (CHEMBL1803989)	Inhibition of recombinant human c-MET phosphorylation at C-terminal Y1365
50039424	27	ChEMBL_756012 (CHEMBL1803988)	Inhibition of recombinant human c-MET phosphorylation at C-terminal Y1349
50039424	28	ChEMBL_756009 (CHEMBL1803985)	Inhibition of CYP2D6
50039424	29	ChEMBL_756008 (CHEMBL1803984)	Inhibition of CYP2C9
50039424	30	ChEMBL_756007 (CHEMBL1803983)	Inhibition of CYP3A4
50039424	31	ChEMBL_755797 (CHEMBL1803464)	Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis
50039424	32	ChEMBL_755796 (CHEMBL1803463)	Competitive inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence resonance energy transfer assay in presence of 0.10 mM ATP
50039424	33	ChEMBL_755795 (CHEMBL1803462)	Competitive inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence resonance energy transfer assay in presence of 0.05 mM ATP
50039425	1	ChEMBL_756761 (CHEMBL1805307)	Inhibition of p38alpha assessed as phosphorylation FITC-labeled Hsp27 after 60 mins by fluorescence based cascade assay
50039426	3	ChEMBL_757551 (CHEMBL1804666)	Inhibition of human p38alpha by FRET assay
50039428	1	ChEMBL_754805 (CHEMBL1805660)	Binding affinity to androgen receptor by fluorescence polarization assay
50039428	2	ChEMBL_754803 (CHEMBL1805658)	Binding affinity to ERalpha by fluorescence polarization assay
50039428	3	ChEMBL_754867 (CHEMBL1805851)	Agonist activity at mineralocorticoid receptor in human A549 cells
50039428	4	ChEMBL_754804 (CHEMBL1805659)	Binding affinity to progesterone receptor by fluorescence polarization assay
50039428	5	ChEMBL_754806 (CHEMBL1805661)	Displacement of GS-red from GRapha by fluorescence polarization assay
50039428	6	ChEMBL_754810 (CHEMBL1805665)	Transactivation activity of glucocorticoid receptor ligand binding domain expressed in human NP-1 Hela cells co-expressing GAL4 DNA binding domain by luciferase reporter gene assay
50039428	7	ChEMBL_754865 (CHEMBL1805849)	Transactivation activity at glucocorticoid receptor in human 13D3/Huh7 cells assessed as induction of tyrosine aminotransferase activity after 24 hrs
50039428	8	ChEMBL_754808 (CHEMBL1805663)	Transrepression activity of glucocorticoid receptor in human A549 cells expressing AP-1 assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene assay
50039428	9	ChEMBL_754811 (CHEMBL1805666)	Transrepression activity of glucocorticoid receptor in human A549 cells assessed as inhibition of IL1beta-stimulated NFkappaB-dependent E-selectin transcription by luciferase reporter gene assay
50039430	1	ChEMBL_755432 (CHEMBL1804901)	Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry
50039465	2	ChEMBL_760470 (CHEMBL1815455)	Inhibition of human SERTexpressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake after 10 mins by scintillation counting
50039465	3	ChEMBL_760469 (CHEMBL1815454)	Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting
50039465	4	ChEMBL_760468 (CHEMBL1815453)	Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of [3H]DA reuptake after 10 mins by scintillation counting
50039466	1	ChEMBL_760771 (CHEMBL1815756)	Binding affinity to topoisomerase 1
50039466	2	ChEMBL_760772 (CHEMBL1815757)	Binding affinity to weel kinase
50039467	1	ChEMBL_761541 (CHEMBL1817421)	Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine induced [35S]GTPgammaS binding
50039467	2	ChEMBL_761543 (CHEMBL1817423)	Inverse agonist activity at rat histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine induced [35S]GTPgammaS binding
50039467	3	ChEMBL_761660 (CHEMBL1816652)	Inhibition of CYP1A2
50039467	4	ChEMBL_761661 (CHEMBL1816653)	Inhibition of CYP2C9
50039467	5	ChEMBL_761662 (CHEMBL1816654)	Inhibition of CYP2C19
50039467	6	ChEMBL_761663 (CHEMBL1816655)	Inhibition of CYP2D6
50039467	7	ChEMBL_761664 (CHEMBL1816656)	Inhibition of CYP3A4
50039467	8	ChEMBL_761736 (CHEMBL1816830)	Inhibition of recombinant human ERG channel expressed in human HEK 293 cells by patch clamp assay
50039467	9	ChEMBL_761821 (CHEMBL1817088)	Inhibition of human H3 receptor
50039467	10	ChEMBL_761538 (CHEMBL1817418)	Antagonist activity at histamine H3 receptor in rat cortical membrane
50039467	11	ChEMBL_761528 (CHEMBL1817408)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells
50039467	12	ChEMBL_761529 (CHEMBL1817409)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
50039467	13	ChEMBL_761550 (CHEMBL1817430)	Inhibition of muscarinic M2 receptor
50039467	14	ChEMBL_761551 (CHEMBL1817431)	Inhibition of adrenergic alpha 1A receptor
50039467	15	ChEMBL_761552 (CHEMBL1817432)	Inhibition of dopamine transporter
50039467	16	ChEMBL_761553 (CHEMBL1817433)	Inhibition of norepinephrine transporter 
50039467	17	ChEMBL_761641 (CHEMBL1816545)	Inhibition of human PARP1
50039467	18	ChEMBL_761642 (CHEMBL1816546)	Inhibition of recombinant human dopamine transporter
50039467	19	ChEMBL_761643 (CHEMBL1816547)	Inhibition of recombinant human norepinephrine transporter
50039468	1	ChEMBL_761927 (CHEMBL1817446)	Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs by HPLC analysis
50039468	2	ChEMBL_761930 (CHEMBL1817449)	Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formylkynurenine into kynurenine after 30 mins by Michaelis-Menten steady state analysis
50039468	3	ChEMBL_761932 (CHEMBL1817451)	Inhibition of IDO
50039468	4	ChEMBL_761934 (CHEMBL1817453)	Inhibition of MAO-A
50039468	5	ChEMBL_761935 (CHEMBL1817454)	Inhibition of MAO-B
50039468	6	ChEMBL_761938 (CHEMBL1817457)	Displacement of [3H](-)-CGP12177 from human adrenergic beta1 receptor
50039468	8	ChEMBL_761940 (CHEMBL1817459)	Displacement of [3H]SCH23390 from human dopamine D1 receptor
50039468	9	ChEMBL_761941 (CHEMBL1817460)	Displacement of [3H]methyl-spiperone from human dopamine D2s receptor
50039468	10	ChEMBL_761942 (CHEMBL1817461)	Displacement of [125I]2-iodomelatonin from human MT1 receptor
50039468	11	ChEMBL_761943 (CHEMBL1817462)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor
50039468	12	ChEMBL_761944 (CHEMBL1817463)	Displacement of [125I]CYP from human 5HT1B receptor
50039468	13	ChEMBL_761945 (CHEMBL1817464)	Displacement of [3H]ketanserin from human 5HT2A receptor
50039468	14	ChEMBL_761946 (CHEMBL1817465)	Displacement of [125I](+/-)-DOI from human 5HT2B receptor
50039468	16	ChEMBL_761948 (CHEMBL1817467)	Displacement of [3H]LSD from human 5HT5A receptor
50039468	17	ChEMBL_761950 (CHEMBL1817469)	Displacement of [3H]LSD from human 5HT7 receptor
50039468	18	ChEMBL_761951 (CHEMBL1817470)	Displacement of [3H]nisoxetine from human NE transporter
50039468	19	ChEMBL_762026 (CHEMBL1816018)	Displacement of [3H]BTCP from human DA transporter
50039468	20	ChEMBL_762027 (CHEMBL1816019)	Displacement of [3H]imipramine from human 5HT transporter
50039468	21	ChEMBL_761949 (CHEMBL1817468)	Displacement of [3H]LSD from human 5HT6 receptor
50039469	1	ChEMBL_762551 (CHEMBL1817008)	Binding affinity to human PepT2 in SKTP cells
50039470	1	ChEMBL_762552 (CHEMBL1817009)	Inhibition of human recombinant MAOB by amplex red assay
50039470	2	ChEMBL_762553 (CHEMBL1817010)	Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry
50039471	1	ChEMBL_762815 (CHEMBL1816172)	Inhibition of human DPP4 isolated from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate
50039471	2	ChEMBL_762816 (CHEMBL1816173)	Inhibition of DPP4 in rat plasma incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate
50039471	3	ChEMBL_762817 (CHEMBL1816174)	Inhibition of DPP4 in rat spleen incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate
50039471	4	ChEMBL_762818 (CHEMBL1816175)	Inhibition of bovine spleen cathepsin C
50039472	1	ChEMBL_762767 (CHEMBL1816069)	Antagonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by beta-galactosidase reporter gene assay
50039472	2	ChEMBL_762768 (CHEMBL1816070)	Agonist activity at Vibrio fischeri ESI 114 (delta-LuxI) LuxR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL
50039472	3	ChEMBL_762769 (CHEMBL1816071)	Antagonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by beta-galactosidase reporter gene assay
50039472	4	ChEMBL_762770 (CHEMBL1816072)	Agonist activity at Agrobacterium tumefaciens WCF (pCF372) TraR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL
50039472	5	ChEMBL_762761 (CHEMBL1816012)	Antagonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR assessed as inhibition of OdDHL-induced quorum sensing activation after 8 hrs by beta-galactosidase reporter gene assay
50039472	6	ChEMBL_762762 (CHEMBL1816064)	Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL
50039473	1	ChEMBL_763305 (CHEMBL1820399)	Inhibition of HDAC1
50039473	2	ChEMBL_763307 (CHEMBL1820401)	Inhibition of human ERG by radioligand binding assay
50039473	3	ChEMBL_763331 (CHEMBL1819679)	Inhibition of human ERG by patch clamp assay
50039473	4	ChEMBL_763352 (CHEMBL1819700)	Inhibition of human ERG by automated Q-patch assay
50039473	5	ChEMBL_763353 (CHEMBL1819701)	Inhibition of human ERG by manual patch clamp assay
50039474	1	ChEMBL_763591 (CHEMBL1820032)	Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenate
50039474	2	ChEMBL_763592 (CHEMBL1820033)	Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial fraction
50039474	3	ChEMBL_763593 (CHEMBL1820034)	Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fraction
50039475	1	ChEMBL_767324 (CHEMBL1825436)	Non-Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis
50039475	2	ChEMBL_767322 (CHEMBL1825434)	Inhibition of human erythrocyte Glutathione reductase
50039475	3	ChEMBL_767323 (CHEMBL1825435)	Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis
50039476	1	ChEMBL_767070 (CHEMBL1826119)	Displacement of [3H]-NAMH from human histamine H3 receptor
50039476	2	ChEMBL_767071 (CHEMBL1826120)	Displacement of [3H]-NAMH from rat histamine H3 receptor
50039476	3	ChEMBL_767085 (CHEMBL1826134)	Inhibition of CYP1A2
50039476	4	ChEMBL_767166 (CHEMBL1826317)	Inhibition of CYP2C19
50039476	5	ChEMBL_767167 (CHEMBL1826318)	Inhibition of CYP2C9
50039476	6	ChEMBL_767168 (CHEMBL1826319)	Inhibition of CYP2D6
50039476	7	ChEMBL_767169 (CHEMBL1826320)	Inhibition of CYP3A4
50039477	1	ChEMBL_768592 (CHEMBL1832611)	Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells
50039477	2	ChEMBL_768593 (CHEMBL1832612)	Displacement of [3H]NAMH from rat cloned histamine 3 receptor expressed in CHO cells
50039477	3	ChEMBL_768665 (CHEMBL1832772)	Antagonist activity at human histamine 3 receptor by [35S]GTPgammaS binding assay
50039477	4	ChEMBL_768599 (CHEMBL1832618)	Inhibition of CYP1A2
50039477	5	ChEMBL_768600 (CHEMBL1832619)	Inhibition of CYP2C9
50039477	6	ChEMBL_768601 (CHEMBL1832620)	Inhibition of CYP2C19
50039477	7	ChEMBL_768602 (CHEMBL1832621)	Inhibition of CYP2D6
50039477	8	ChEMBL_768649 (CHEMBL1832756)	Inhibition of CYP3A4
50039477	9	ChEMBL_768650 (CHEMBL1832757)	Inhibition of human ERG by patch express assay
50039478	1	ChEMBL_768713 (CHEMBL1831496)	Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins by scintillation counting
50039479	1	ChEMBL_768720 (CHEMBL1831503)	Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay
50039480	1	ChEMBL_769241 (CHEMBL1833078)	Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes
50039481	1	ChEMBL_769558 (CHEMBL1833395)	Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting
50039481	2	ChEMBL_769562 (CHEMBL1833399)	Binding affinity to alpha-1A adrenergic receptor
50039481	3	ChEMBL_769563 (CHEMBL1833400)	Binding affinity to alpha-2A adrenergic receptor
50039481	4	ChEMBL_769564 (CHEMBL1833401)	Binding affinity to 5-HT transporter
50039481	5	ChEMBL_769565 (CHEMBL1833402)	Binding affinity to 5-HT1A receptor
50039482	1	ChEMBL_770979 (CHEMBL1838218)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum tissue after 20 mins by scintillation counting
50039482	2	ChEMBL_770978 (CHEMBL1838217)	Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex after 20 mins by scintillation counting
50039482	3	ChEMBL_770977 (CHEMBL1838216)	Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex after 15 mins by scintillation counting
50039483	1	ChEMBL_772500 (CHEMBL1839392)	Inhibition of CYP3A4
50039483	2	ChEMBL_772499 (CHEMBL1839391)	Inhibition of CYP2D6
50039483	3	ChEMBL_772498 (CHEMBL1839390)	Inhibition of CYP2C19
50039483	4	ChEMBL_772495 (CHEMBL1839286)	Inhibition of CYP2C9
50039483	5	ChEMBL_772496 (CHEMBL1839388)	Inhibition of CYP1A2
50039483	6	ChEMBL_772497 (CHEMBL1839389)	Displacement of [3H]-NAMH from rat histamine H3 receptor expressed in CHO cells
50039483	7	ChEMBL_772494 (CHEMBL1839285)	Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells
50039483	8	ChEMBL_772511 (CHEMBL1839403)	Inverse agonist activity at human histamine H3 receptor assessed as decrease of basal activity of [35S]GTPgammaS binding
50039484	1	ChEMBL_772821 (CHEMBL1837693)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay
50039484	2	ChEMBL_772820 (CHEMBL1837692)	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
50039485	1	ChEMBL_772643 (CHEMBL1839729)	Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting
50039485	2	ChEMBL_772642 (CHEMBL1839728)	Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting
50039485	3	ChEMBL_772715 (CHEMBL1837327)	Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 mins by liquid scintillation counting
50039485	4	ChEMBL_772718 (CHEMBL1837330)	Inhibition of CYP1A2 using CEC as substrate
50039485	5	ChEMBL_772719 (CHEMBL1837331)	Inhibition of CYP2C9 using MFC as substrate
50039485	6	ChEMBL_772720 (CHEMBL1837332)	Inhibition of CYP2C19 using CEC as substrate
50039485	7	ChEMBL_772721 (CHEMBL1837333)	Inhibition of CYP2D6 using AMMC as substrate
50039485	8	ChEMBL_772722 (CHEMBL1837334)	Inhibition of CYP3A4 using BFC as substrate
50039485	9	ChEMBL_772723 (CHEMBL1837335)	Inhibition of CYP3A4 using BQ as substrate
50039486	1	ChEMBL_785333 (CHEMBL1921601)	Inhibition of rat pol beta using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	2	ChEMBL_785334 (CHEMBL1921602)	Inhibition of His-tagged human DNA polymerase lambda using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	3	ChEMBL_785408 (CHEMBL1919787)	Inhibition of His-tagged human DNA polymerase mu using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	4	ChEMBL_785409 (CHEMBL1919788)	Inhibition of calf thymus TdT using oligo(dT)18 (3'-OH) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	5	ChEMBL_785410 (CHEMBL1919789)	Inhibition of C-terminal His6-tagged human DNA polymerase eta (amino acids 1 to 511) using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	6	ChEMBL_785411 (CHEMBL1919790)	Inhibition of C-terminal His6-tagged mouse DNA polymerase iota using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	7	ChEMBL_785412 (CHEMBL1919791)	Inhibition of C-terminal His6-tagged human DNA polymerase kappa (amino acids 1 to 560) using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	8	ChEMBL_785415 (CHEMBL1919794)	Inhibition of Taq polymerase using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate at 74 degree C after 60 mins
50039486	9	ChEMBL_785416 (CHEMBL1919795)	Inhibition of T4 pol using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate after 60 mins
50039486	10	ChEMBL_785419 (CHEMBL1919798)	Inhibition of T7 RNA polymerase using salmon sperm DNA and [3H]UTP at 25 degree C after 30 mins by liquid scintillation counting
50039486	12	ChEMBL_785421 (CHEMBL1919800)	Inhibition of T4 polynucleotide kinase using 5'-hydroxyl termini of DNA and [gamma-32ATP] after 30 mins by liquid scintillation counting
50039486	13	ChEMBL_785521 (CHEMBL1920084)	Inhibition of bovine deoxyribonuclease I by agarose gel electrophoresis
50039487	2	ChEMBL_807433 (CHEMBL1960804)	Inhibition of human IMPDH2
50039487	3	ChEMBL_807434 (CHEMBL1960805)	Inhibition of human IMPDH1
50039489	1	ChEMBL_809501 (CHEMBL2015356)	Inhibition of human CYP11B2 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector
50039489	2	ChEMBL_809500 (CHEMBL2015355)	Inhibition of human CYP11B1 expressed in hamster V79 MZ cells using [3H] 11 deoxycorticosterone as substrate by HPLC radioflow detector
50039490	1	ChEMBL_809511 (CHEMBL2015428)	Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis
50039490	2	ChEMBL_809506 (CHEMBL2015361)	Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay
50039490	3	ChEMBL_809510 (CHEMBL2015427)	Binding affinity to CCR5
50039491	1	ChEMBL_809512 (CHEMBL2015429)	Inhibition of human SERT-mediated serotonin reuptake in HEK293 cells
50039492	1	ChEMBL_809592 (CHEMBL2015718)	Binding affinity to PGD1
50039492	2	ChEMBL_809589 (CHEMBL2015715)	Displacement of [3H]-PGH2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of buffer containing 0.5% BSA
50039492	3	ChEMBL_809590 (CHEMBL2015716)	Displacement of [3H]-PGH2 from human CRTH2 receptor expressed in HEK293 cells by scintillation counting in presence of buffer containing 50% human plasma
50039493	1	ChEMBL_809617 (CHEMBL2015743)	Binding affinity to human sst4 by in vitro receptor autoradiography assay
50039493	2	ChEMBL_809615 (CHEMBL2015741)	Binding affinity to human sst2 by in vitro receptor autoradiography assay
50039493	3	ChEMBL_809618 (CHEMBL2015744)	Binding affinity to human sst5 by in vitro receptor autoradiography assay
50039493	4	ChEMBL_809616 (CHEMBL2015742)	Binding affinity to human sst3 by in vitro receptor autoradiography assay
50039493	5	ChEMBL_809614 (CHEMBL2015740)	Binding affinity to human sst1 by in vitro receptor autoradiography assay
50039494	1	ChEMBL_809641 (CHEMBL2015860)	Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometry
50039495	1	ChEMBL_809645 (CHEMBL2015864)	Inhibition of glucosylceramidase 2 from spleen of patient with gaucher's disease by fluorimetric analysis
50039495	2	ChEMBL_809643 (CHEMBL2015862)	Inhibition of glucosylceramide synthase in mouse RAW cells preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence scanner
50039496	1	ChEMBL_809673 (CHEMBL2015892)	Inhibition of MNK2
50039496	2	ChEMBL_809677 (CHEMBL2015896)	Inhibition of PRKCE
50039496	3	ChEMBL_809675 (CHEMBL2015894)	Inhibition of PLK4
50039496	4	ChEMBL_809673 (CHEMBL2015892)	Inhibition of MNK2
50039496	5	ChEMBL_809671 (CHEMBL2015890)	Inhibition of FLT3
50039496	6	ChEMBL_809669 (CHEMBL2015888)	Inhibition of AXL
50039496	7	ChEMBL_809665 (CHEMBL2015884)	Inhibition of CDK5
50039496	9	ChEMBL_809679 (CHEMBL2015898)	Inhibition of MNK1
50039497	1	ChEMBL_809525 (CHEMBL2015442)	Displacement of [125I]Iodocyanopindolol from human adrenergic beta1 receptor expressed in insect sf9 cells by scintillation counting
50039497	2	ChEMBL_809680 (CHEMBL2015899)	Agonist activity at human adrenergic beta3 receptor expressed in DHB-11 CHO cells assessed as cAMP accumulation after 20 mins by scintillation proximity assay
50039497	3	ChEMBL_809682 (CHEMBL2015993)	Agonist activity at rat adrenergic beta3 receptor expressed in DHB-11 CHO cells assessed as cAMP accumulation after 20 mins by scintillation proximity assay
50039498	1	ChEMBL_809536 (CHEMBL2015453)	Displacement of [125I]-SDF-1alpha from human CXCR4 receptor expressed in HEK293 cells after 1 hr by gamma counting
50039499	1	ChEMBL_809545 (CHEMBL2015462)	Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot analysis at pH 5.2
50039499	2	ChEMBL_809544 (CHEMBL2015461)	Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH 5.2
50039499	3	ChEMBL_809543 (CHEMBL2015460)	Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by spectrophotometric analysis at pH 7
50039500	1	ChEMBL_812530 (CHEMBL2014405)	Displacement of [3H]R-PIA from rat forebrain adenosine receptor-1
50039500	2	ChEMBL_812529 (CHEMBL2014404)	Agonist activity at human recombinant adenosine receptor-1 expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production preincubated for 45 mins prior forskolin-induction measured after 15 mins by immunoassay
50039500	3	ChEMBL_812527 (CHEMBL2014402)	Displacement of [125I]AB-MECA from human recombinant adenosine receptor-3 expressed in CHO cell membrane after 60 mins by gamma-counting
50039500	4	ChEMBL_812525 (CHEMBL2014361)	Displacement of [3H]CGS21680 from human recombinant adenosine receptor-2A expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting
50039500	5	ChEMBL_812523 (CHEMBL2014359)	Displacement of [3H]R-PIA from human recombinant adenosine receptor-1 expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50039501	1	ChEMBL_812542 (CHEMBL2014417)	Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	2	ChEMBL_809835 (CHEMBL2014772)	Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	3	ChEMBL_809836 (CHEMBL2014773)	Inhibition of HDAC8 in human HeLa cells nuclear extract using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry
50039501	4	ChEMBL_812548 (CHEMBL2014423)	Inhibition of recombinant human HDAC1 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	5	ChEMBL_812549 (CHEMBL2014424)	Inhibition of recombinant human HDAC2 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	6	ChEMBL_809820 (CHEMBL2014704)	Inhibition of recombinant human HDAC4 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	7	ChEMBL_809821 (CHEMBL2014705)	Inhibition of recombinant human HDAC5 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	8	ChEMBL_809822 (CHEMBL2014759)	Inhibition of recombinant human HDAC6 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	9	ChEMBL_809823 (CHEMBL2014760)	Inhibition of recombinant human HDAC7 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	10	ChEMBL_809824 (CHEMBL2014761)	Inhibition of recombinant human HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry
50039501	11	ChEMBL_809825 (CHEMBL2014762)	Inhibition of recombinant human HDAC9 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	12	ChEMBL_809826 (CHEMBL2014763)	Inhibition of recombinant human HDAC10 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	13	ChEMBL_809827 (CHEMBL2014764)	Inhibition of recombinant human HDAC11 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039502	1	ChEMBL_809840 (CHEMBL2014777)	Inhibition of human DHODH after 20 mins by 2,6-dichloroindophenol-reduction based assay
50039502	2	ChEMBL_809872 (CHEMBL2014809)	Inhibition of human CYP1A2 using phenacetin as substrate after 10 mins by LC-MS/MS analysis
50039502	3	ChEMBL_809873 (CHEMBL2014810)	Inhibition of human CYP2C9 using diclofenac as substrate after 10 mins by LC-MS/MS analysis
50039502	4	ChEMBL_809874 (CHEMBL2014811)	Inhibition of human CYP2C19 using S-mephenytoin as substrate after 45 mins by LC-MS/MS analysis
50039502	5	ChEMBL_809875 (CHEMBL2014812)	Inhibition of human CYP3A4 using midazolam as substrate after 5 mins by LC-MS/MS analysis
50039502	6	ChEMBL_809876 (CHEMBL2014813)	Inhibition of human CYP2D6 using bufuralol as substrate after 10 mins by LC-MS/MS analysis
50039502	7	ChEMBL_809877 (CHEMBL2014814)	Inhibition of human ERG expressed in CHOK1 cells by whole cell voltage clamp assay
50039503	1	ChEMBL_810396 (CHEMBL2016217)	Agonist activity at human GPR119 receptor expressed in HEK293 cells assessed as cAMP accumulation after 45 mins by fluorescence assay
50039503	2	ChEMBL_810399 (CHEMBL2014817)	Binding affinity to human ERG
50039503	3	ChEMBL_810433 (CHEMBL2014980)	Agonist activity at mouse GPR119 by cAMP assay
50039503	4	ChEMBL_810405 (CHEMBL2014823)	Inhibition of CYP3A4 by HTRF assay
50039503	5	ChEMBL_810404 (CHEMBL2014822)	Inhibition of CYP2D6 by HTRF assay
50039503	6	ChEMBL_810403 (CHEMBL2014821)	Inhibition of CYP2C19 by HTRF assay
50039503	7	ChEMBL_810402 (CHEMBL2014820)	Inhibition of CYP2C9 by HTRF assay
50039503	8	ChEMBL_810401 (CHEMBL2014819)	Inhibition of CYP1A2 by HTRF assay
50039504	1	ChEMBL_810618 (CHEMBL2015669)	Inhibition of SHP2 expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate by spectrophotometric analysis
50039504	2	ChEMBL_810613 (CHEMBL2015664)	Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric analysis
50039504	3	ChEMBL_810616 (CHEMBL2015667)	Inhibition of Yersinia pseudotuberculosis YopH
50039504	4	ChEMBL_810617 (CHEMBL2015668)	Inhibition of Mycobacterium tuberculosis PTPB
50039504	5	ChEMBL_810619 (CHEMBL2015670)	Inhibition of Lyp-mediated pNPP hydrolysis
50039505	1	ChEMBL_810654 (CHEMBL2015705)	Inhibition of mouse BLK using ATP as substrate
50039505	2	ChEMBL_810622 (CHEMBL2015673)	Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluorescence analysis
50039505	3	ChEMBL_810621 (CHEMBL2015672)	Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluorescence analysis
50039505	4	ChEMBL_810825 (CHEMBL2016219)	Inhibition of human Erg expressed CHO cells
50039505	5	ChEMBL_810823 (CHEMBL2016142)	Inhibition of adenosine A2A receptor
50039505	6	ChEMBL_810801 (CHEMBL2016120)	Inhibition of human TRK-B using ATP as substrate
50039505	7	ChEMBL_810800 (CHEMBL2016119)	Inhibition of human TRK-A using ATP as substrate
50039505	8	ChEMBL_810799 (CHEMBL2016118)	Inhibition of human TAK1 using ATP as substrate
50039505	9	ChEMBL_810798 (CHEMBL2016117)	Inhibition of human RET using ATP as substrate
50039505	10	ChEMBL_810797 (CHEMBL2016116)	Inhibition of human PDGFRalpha using ATP as substrate
50039505	11	ChEMBL_810796 (CHEMBL2016115)	Inhibition of human MST2 using ATP as substrate
50039505	12	ChEMBL_810795 (CHEMBL2016114)	Inhibition of human FMS using ATP as substrate
50039505	13	ChEMBL_810794 (CHEMBL2016113)	Inhibition of human FLT3 using ATP as substrate
50039505	14	ChEMBL_810793 (CHEMBL2016112)	Inhibition of human VEGFR1 using ATP as substrate
50039505	15	ChEMBL_810792 (CHEMBL2016111)	Inhibition of human FGFR3 using ATP as substrate
50039505	16	ChEMBL_810791 (CHEMBL2016110)	Inhibition of human FGFR1 using ATP as substrate
50039505	17	ChEMBL_810790 (CHEMBL2016109)	Inhibition of human cSrc using ATP as substrate
50039505	18	ChEMBL_810789 (CHEMBL2016108)	Inhibition of CK1 using ATP as substrate
50039505	19	ChEMBL_810788 (CHEMBL2016107)	Inhibition of human CHK2 using ATP as substrate
50039505	20	ChEMBL_810787 (CHEMBL2016106)	Inhibition of human BTK using ATP as substrate
50039505	21	ChEMBL_810653 (CHEMBL2015704)	Inhibition of human Aurora-A using ATP as substrate
50039505	22	ChEMBL_810652 (CHEMBL2015703)	Inhibition of human ALK using ATP as substrate
50039505	23	ChEMBL_810648 (CHEMBL2015699)	Inhibition of CYP2C19
50039505	24	ChEMBL_810647 (CHEMBL2015698)	Inhibition of CYP2D6
50039505	25	ChEMBL_810646 (CHEMBL2015697)	Inhibition of CYP3A4
50039505	26	ChEMBL_810624 (CHEMBL2015675)	Inhibition of human Tie2 expressed in porcine PAE145 cells cotransfected with chimeric rat TRK-A/KDR receptor after 1 hr by immunofluorescence assay
50039505	27	ChEMBL_810824 (CHEMBL2016218)	Inhibition of muscarinic M4 receptor
50039506	1	ChEMBL_811048 (CHEMBL2014628)	Inhibition of CYP2D6 co-incubated with substrate
50039506	2	ChEMBL_811049 (CHEMBL2014629)	Inhibition of CYP3A4 co-incubated with substrate
50039506	3	ChEMBL_811050 (CHEMBL2014630)	Inhibition of CYP2C9 co-incubated with substrate
50039506	4	ChEMBL_811051 (CHEMBL2014631)	Inhibition of CYP2C19 co-incubated with substrate
50039506	5	ChEMBL_811052 (CHEMBL2014632)	Inhibition of CYP2D6 preincubated prior to substrate addition
50039506	6	ChEMBL_811053 (CHEMBL2014633)	Inhibition of CYP3A4 preincubated prior to substrate addition
50039506	7	ChEMBL_811055 (CHEMBL2014635)	Inhibition of CYP2C19 preincubated prior to substrate addition
50039506	8	ChEMBL_811054 (CHEMBL2014634)	Inhibition of CYP2C9 preincubated prior to substrate addition
50001200	1	ChEMBL_1711726 (CHEMBL4121775)	Inhibition of histidine-tagged human recombinant ROCK2 (11 to 552 residues) expressed in insect cells using RFARKGSLRQKNV substrate incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay
50001200	2	ChEMBL_1711728 (CHEMBL4121777)	Inhibition of human PKCbeta2 measured at apparent ATP Km level
50001200	3	ChEMBL_1711729 (CHEMBL4121778)	Inhibition of human RSK1 measured at apparent ATP Km level
50001200	4	ChEMBL_1711730 (CHEMBL4121779)	Inhibition of AKT1 in human U87MG cells assessed as reduction in GSK3beta Ser9 phosphorylation incubated for 1 hr by alpha screen Surefire assay
50001200	5	ChEMBL_1711724 (CHEMBL4121773)	Inhibition of human recombinant AKT1 expressed in insect cells incubated for 60 mins measured at apparent ATP Km level by kinase ADP-FP assay
50001200	6	ChEMBL_1711725 (CHEMBL4121774)	Inhibition of human p70S6K measured at apparent ATP Km level
50039508	1	ChEMBL_811063 (CHEMBL2014643)	Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometry
50039508	2	ChEMBL_811069 (CHEMBL2014649)	Inhibition of MRP1
50039509	1	ChEMBL_811225 (CHEMBL2015060)	Inhibition of wild type EGFR using poly(Glu,Tyr) as substrate assessed as [33P-gamma]-ATP incorporation after 60 mins by microplate scintillation counting
50039509	2	ChEMBL_811222 (CHEMBL2015057)	Inhibition of SRC using poly(Glu,Tyr) as substrate assessed as [33P-gamma]-ATP incorporation after 60 mins by microplate scintillation counting
50039509	3	ChEMBL_811221 (CHEMBL2015056)	Inhibition of VEGFR2 using poly(Glu,Tyr) as substrate assessed as [33P-gamma]-ATP incorporation after 60 mins by microplate scintillation counting
50039509	4	ChEMBL_811223 (CHEMBL2015058)	Inhibition of wild type B-Raf using MEK1-KM as substrate assessed as [33P-gamma]-ATP incorporation after 60 mins by microplate scintillation counting
50039510	1	ChEMBL_811231 (CHEMBL2015066)	Inhibition of rat brain cytosolic MAGL assessed as [3H]-2-arachidonoyl glycerol hydrolysis after 10 mins by liquid scintillation spectroscopy
50039510	2	ChEMBL_811227 (CHEMBL2015062)	Inhibition of human recombinant his-tagged MAGL expressed in Escherichia coli assessed as hydrolysis of 4-nitrophenyl acetate after 20 mins by microplate reader
50039510	3	ChEMBL_811229 (CHEMBL2015064)	Inhibition of rat brain membrane FAAH assessed as [3H]-anandamide hydrolysis after 10 mins by liquid scintillation spectroscopy
50039510	4	ChEMBL_811245 (CHEMBL2015197)	Non-competitive inhibition of human recombinant MAGL assessed as 7-hydroxycoumarin level using umbelliferyl arachidonate as substrate by luminescence spectrophotometer
50039511	1	ChEMBL_811247 (CHEMBL2015199)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins by spectrophotometry
50039511	2	ChEMBL_811246 (CHEMBL2015198)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior substrate addition measured after 5 mins by spectrophotometry
50001201	1	ChEMBL_1711749 (CHEMBL4121798)	Agonist activity at human TGR5 expressed in CHOK1 cells after 5 hrs by luciferase reporter gene assay
50039511	4	ChEMBL_811264 (CHEMBL2015216)	Inhibition of human recombinant AChE-induced Abeta1-40 aggregation by thioflavin T fluorescence method
50039511	5	ChEMBL_811265 (CHEMBL2015217)	Inhibition of bovine AChE-induced coumarin-tagged PrP106-126 aggregation after 48 hrs by fluorescence microscopy
50039512	1	ChEMBL_811269 (CHEMBL2015221)	Displacement of fluorescein-labeled p53 peptide from HDM2 by fluorescence polarization assay
50039512	2	ChEMBL_811270 (CHEMBL2015222)	Inhibition of interaction of EWS-Fli1 to GST-tagged RNA Helicase A (647-1075) by surface plasmon resonance
50039512	3	ChEMBL_811271 (CHEMBL2015223)	Binding affinity to ERG by surface plasmon resonance
50039512	4	ChEMBL_811272 (CHEMBL2015224)	Binding affinity to ETV1 by surface plasmon resonance
50039512	5	ChEMBL_811273 (CHEMBL2015225)	Antagonist activity at pirin by ITC assay
50039512	6	ChEMBL_811391 (CHEMBL2013603)	Binding affinity to JNK1 allosteric site by AS-MS analysis
50039512	7	ChEMBL_811392 (CHEMBL2013604)	Orthosteric antagonist activity at M2 receptor by AS-MS analysis
50039512	8	ChEMBL_811393 (CHEMBL2013605)	Negative allosteric modulation at M2 receptor by AS-MS analysis
50039512	9	ChEMBL_811394 (CHEMBL2013606)	Inhibition of SRC by DEL method
50039512	10	ChEMBL_811395 (CHEMBL2013607)	Competitive inhibition of Aurora A by DEL method
50039512	11	ChEMBL_811397 (CHEMBL2013609)	Displacement of BakBH3 from Bcl-xL by DEL method
50039513	1	ChEMBL_811405 (CHEMBL2013617)	Inhibition of Sprague-Dawley rat lens aldose reductase
50039514	2	ChEMBL_811410 (CHEMBL2013668)	Inhibition of rat DNA polymerase beta expressed in Escherichia coli JMpbeta5 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	3	ChEMBL_811411 (CHEMBL2013669)	Inhibition of human recombinant His-tagged DNA polymerase lambda expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	4	ChEMBL_811412 (CHEMBL2013670)	Inhibition of human His-tagged recombinant DNA polymerase mu expressed in Escherichia coli BL21 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	5	ChEMBL_811414 (CHEMBL2013672)	Inhibition of C-terminal-His6-tagged human pol nu expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	6	ChEMBL_811426 (CHEMBL2013684)	Inhibition of T4 arnN8l pseT 1 polynucleotide kinase assessed as inhibition of Salmon sperm DNA phosphorylation using [gamma32P]ATP by liquid scintillation counting
50039514	7	ChEMBL_811427 (CHEMBL2013685)	Inhibition of bovine deoxyribonuclease 1 using [3H]-labelled DNA after 30 mins by agarose gel electrophoresis
50039514	8	ChEMBL_811415 (CHEMBL2013673)	Inhibition of mouse recombinant C-terminal-His6-tagged DNA polymerase iota assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	9	ChEMBL_811439 (CHEMBL2013697)	Competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using dTTP as substrate by Dixon plot analysis
50039514	10	ChEMBL_811421 (CHEMBL2013679)	Inhibition of T4 bacteriophage DNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50039514	13	ChEMBL_811413 (CHEMBL2013671)	Inhibition of calf TdT assessed as inhibition of incorporation of dTTP into oligo(dT)18(3'OH) after 60 mins
50039515	1	ChEMBL_811613 (CHEMBL2014066)	Inhibition of human HDAC1 after 30 mins by fluorescence assay
50039516	1	ChEMBL_811620 (CHEMBL2014073)	Inhibition of caspase 1 by signal transduction fluorometric assay
50039516	2	ChEMBL_811619 (CHEMBL2014072)	Inhibition of caspase 3 by signal transduction fluorometric assay
50039517	1	ChEMBL_811818 (CHEMBL2014495)	Inhibition of GST-tagged Human papillomavirus 16 protein E6 interaction with His-tagged human caspase 8 expressed in Escherichia coli after 1 hr incubation followed by overnight incubation by Alpha screening technique
50039518	1	ChEMBL_811954 (CHEMBL2013324)	Inhibition of human recombinant DDX3 ATPase activity expressed in Escherichia coli assessed as [gamma-32P] ATP hydrolysis after 5 mins by densitometric analysis
50039518	2	ChEMBL_811952 (CHEMBL2013322)	Inhibition of human recombinant DDX1 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in to single stranded nucleic acid by laser scanning densitometric analysis
50039518	3	ChEMBL_811951 (CHEMBL2013321)	Inhibition of human recombinant DDX3 helicase activity expressed in Escherichia coli assessed as conversion of a 6-FAM-labeled double stranded RNA in to single stranded nucleic acid by laser scanning densitometric analysis
50039519	1	ChEMBL_811966 (CHEMBL2013336)	Competitive inhibition of human indoleamine 2,3-dioxygenase assessed as conversion of N-formylkynurenine to kynurenine after 2 hrs by spectrophotometrical analysis
50039520	1	ChEMBL_811975 (CHEMBL2013345)	Antagonist activity at mouse GHSR1 receptor assessed as intracellular Ca2+ concentration by aequorin luminescent assay
50039520	2	ChEMBL_811974 (CHEMBL2013344)	Antagonist activity at human GHSR1a receptor assessed as intracellular Ca2+ concentration by aequorin luminescent assay
50039520	3	ChEMBL_811976 (CHEMBL2013346)	Displacement of [125I]Ghrelin from human GHSR1a receptor
50039520	4	ChEMBL_811973 (CHEMBL2013343)	Antagonist activity at human GHSR1a receptor assessed as blockade of intracellular Ca2+ mobilization
50039521	1	ChEMBL_811985 (CHEMBL2013355)	Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay
50039521	2	ChEMBL_811984 (CHEMBL2013354)	Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay
50001202	1	ChEMBL_1711879 (CHEMBL4121928)	Inhibition of Escherichia coli DNA gyrase subunit GyrA/GyrB supercoiling activity using relaxed pBR322 DNA incubated for 15 mins by ethidium bromide staining based gel electrophoresis method
50001203	1	ChEMBL_1711905 (CHEMBL4121954)	Inhibition of allosterically sensitized mutant form of His6-tagged human HePTP catalytic domain overexpressed in Escherichia coli crude cell lysate using pNPP as substrate incubated for 90 mins by quenched phosphatase activity assay
50001203	2	ChEMBL_1711887 (CHEMBL4121936)	Inhibition of allosterically sensitized His6-tagged human PTP1B catalytic domain P87C/A122C mutant using pNPP as substrate incubated for 90 mins by quenched phosphatase activity assay
50039521	5	ChEMBL_811986 (CHEMBL2013356)	Inhibition of CDK2
50001203	3	ChEMBL_1711893 (CHEMBL4121942)	Inhibition of allosterically sensitized His6-tagged human PTP1B catalytic domain P87C/A122C mutant overexpressed in Escherichia coli crude cell lysate using pNPP as substrate incubated for 90 mins by quenched phosphatase activity assay
50001203	4	ChEMBL_1711902 (CHEMBL4121951)	Inhibition of allosterically sensitized mutant form of His6-tagged human HePTP catalytic domain using pNPP as substrate incubated for 90 mins by quenched phosphatase activity assay
50001204	1	ChEMBL_1712014 (CHEMBL4122063)	Inhibition of human PHD2 using FITC-HIF1-alpha as substrate after 10 mins in presence of 2-oxoglutarate by fluorescence polarization assay
50001204	2	ChEMBL_1712015 (CHEMBL4122064)	Inhibition of rat PHD2 using FITC-HIF1-alpha as substrate after 10 mins in presence of 2-oxoglutarate by fluorescence polarization assay
50001205	1	ChEMBL_1712140 (CHEMBL4122189)	Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor expressed in CHOK1 cells after 60 mins
50001205	2	ChEMBL_1712144 (CHEMBL4122193)	Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation counting method
50001205	3	ChEMBL_1712044 (CHEMBL4122093)	Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins
50001205	4	ChEMBL_1712129 (CHEMBL4122178)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO cell membranes after 1 hr
50001205	5	ChEMBL_1712131 (CHEMBL4122180)	Displacement of [3H]-5-carboxyamidotryptamine from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr
50001205	6	ChEMBL_1712130 (CHEMBL4122179)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr
50039522	1	ChEMBL_811989 (CHEMBL2013359)	Antagonist activity at human non-inactivated NaV 1.7 channel expressed in HEK293 cells by manual whole cell patch clamp assay
50039522	2	ChEMBL_811990 (CHEMBL2013360)	Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay
50039522	3	ChEMBL_811993 (CHEMBL2013363)	Displacement of dofetilide from human ERG
50039522	4	ChEMBL_811987 (CHEMBL2013357)	Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by PatchXpress voltage patch clamp assay
50039522	5	ChEMBL_811991 (CHEMBL2013361)	Antagonist activity at human partially inactivated NaV 1.5 channel expressed in HEK293 cells by manual whole cell patch clamp assay
50039522	6	ChEMBL_811992 (CHEMBL2013362)	Antagonist activity at human non-inactivated NaV 1.5 channel expressed in HEK293 cells by manual whole cell patch clamp assay
50039522	7	ChEMBL_811994 (CHEMBL2013364)	Inhibition of human ERG by PatchXpress voltage patch clamp assay
50039522	8	ChEMBL_811988 (CHEMBL2013358)	Antagonist activity at human partially inactivated NaV 1.7 channel expressed in HEK293 cells by manual whole cell patch clamp assay
50039522	9	ChEMBL_812014 (CHEMBL2013384)	Inhibition of CYP3A4
50039522	10	ChEMBL_812015 (CHEMBL2013385)	Inhibition of CYP2D6
50039523	1	ChEMBL_812094 (CHEMBL2013561)	Antagonist activity at androgen receptor in human LNCAP cells assessed as decrease in prostate specific antigen mRNA level after 20 hrs by real time RT-PCR analysis
50039523	2	ChEMBL_812095 (CHEMBL2013562)	Antagonist activity at androgen receptor in human LNCAP cells assessed as decrease in transmembrane protease serine 2 mRNA level after 20 hrs by real time RT-PCR analysis
50039524	1	ChEMBL_812140 (CHEMBL2013644)	Antagonist activity at 20% inactivated human NaV1.7 channel by electrophysiology-based screening assay
50039524	2	ChEMBL_812133 (CHEMBL2013637)	Antagonist activity at human NaV1.5 channel by patchXpress assay
50039524	3	ChEMBL_812132 (CHEMBL2013636)	Antagonist activity at human NaV1.7 channel by patchXpress assay
50039524	4	ChEMBL_812135 (CHEMBL2013639)	Displacement of dofetilide from human ERG
50039524	5	ChEMBL_812136 (CHEMBL2013640)	Inhibition of human ERG by patchXpress assay
50039524	6	ChEMBL_812141 (CHEMBL2013645)	Antagonist activity at human NaV1.7 channel by electrophysiology-based screening assay
50039525	1	ChEMBL_812147 (CHEMBL2013651)	Inhibition of GSK-3beta using phospho-glycogen synthase peptide-2 as substrate after 10 mins by liquid scintillation counting
50039525	2	ChEMBL_812148 (CHEMBL2013652)	Inhibition of human GSK-3beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate after 20 mins by liquid scintillation counting
50039526	1	ChEMBL_812216 (CHEMBL2013811)	Inhibition of aurora A kinase
50001205	7	ChEMBL_1712045 (CHEMBL4122094)	Antagonist activity at human H3 receptor expressed in HEK293 cells assessed as inhibition of RAMH-induced reduction of forskolin-stimulated cAMP accumulation after 30 mins by Ulight-based TR-FRET assay
50001205	8	ChEMBL_1712132 (CHEMBL4122181)	Inhibition of CYP3A4 (unknown origin) by CYP3A4 P450-Glo assay
50001205	9	ChEMBL_1712139 (CHEMBL4122188)	Displacement of [3H]-(R)alpha-MeHA from rat brain H3 receptor
50001205	10	ChEMBL_1712141 (CHEMBL4122190)	Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor after 60 mins by gamma counting method
50001205	11	ChEMBL_1712142 (CHEMBL4122191)	Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method
50001205	12	ChEMBL_1712143 (CHEMBL4122192)	Displacement of [125I]-iodoproxyfan from rat brain cortex H3 receptor after 60 mins by gamma counting method
50001205	13	ChEMBL_1712145 (CHEMBL4122194)	Displacement of [125I]-Nalpha-MeHA from full length recombinant human H3 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50001206	1	ChEMBL_1712175 (CHEMBL4122224)	Inhibition of ASIC1 in Sprague-Dawley rat articular chondrocytes assessed as decrease in acid-induced intracellular calcium level by Fluo-3AM dye based laser scanning confocal microscopy
50001206	2	ChEMBL_1712176 (CHEMBL4122225)	Inhibition of ASIC1a in rat dorsal root ganglion neurons assessed as reduction in peak current preincubated for 120 secs followed by acid medium stimulation at pH 5.5 for 3 secs by automated patch clamp electrophysiology assay
50001207	1	ChEMBL_1712182 (CHEMBL4122231)	Inhibition of DGAT1 in human HEK293 cells using [13C18]oleic acid as substrate assessed as decrease in triacylglycerol synthesis preincubated for 15 mins followed by [13C18]oleic acid addition measured after 2 hrs by LC/MS/MS analysis
50001207	2	ChEMBL_1712189 (CHEMBL4122238)	Inhibition of CYP1A2 (unknown origin)
50001207	3	ChEMBL_1712192 (CHEMBL4122241)	Inhibition of CYP2D6 (unknown origin)
50001207	4	ChEMBL_1712179 (CHEMBL4122228)	Inhibition of human DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by [14C]-oleoyl-CoA addition measured after 15 mins by scintillation counting method
50001207	5	ChEMBL_1712180 (CHEMBL4122229)	Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by [14C]-oleoyl-CoA addition measured after 15 mins by scintillation counting method
50001207	6	ChEMBL_1712181 (CHEMBL4122230)	Inhibition of human DGAT2 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by [14C]-oleoyl-CoA addition measured after 15 mins by scintillation counting method
50001207	7	ChEMBL_1712190 (CHEMBL4122239)	Inhibition of CYP2C9 (unknown origin)
50001207	8	ChEMBL_1712191 (CHEMBL4122240)	Inhibition of CYP2C19 (unknown origin)
50001207	9	ChEMBL_1712193 (CHEMBL4122242)	Inhibition of CYP3A4 (unknown origin)
50039527	1	ChEMBL_812366 (CHEMBL2014102)	Inhibition of Staphylococcus aureus peptide deformylase using N-formylmethionine-alanine-serine as substrate by spectrophotometry
50039528	1	ChEMBL_812378 (CHEMBL2014114)	Inhibition of human N-terminal GST-tagged DYRK2 expressed in baculovirus using DYRKtide-F as substrate assessed as inhibition of [33P] incorporation into substrate using [gamma33P]ATP after 10 mins by liquid scintillation counting
50039528	2	ChEMBL_812377 (CHEMBL2014113)	Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay
50039528	3	ChEMBL_810199 (CHEMBL2015535)	Inhibition of DYRK1A
50039528	4	ChEMBL_810201 (CHEMBL2015537)	Inhibition of DYRK2
50039529	1	ChEMBL_810205 (CHEMBL2015541)	Inhibition of wild-type LRRK2 expressed in HEK293 cells using nictide and [gamma32]ATP as substrate
50039530	1	ChEMBL_811117 (CHEMBL2014738)	Inhibition of Rsk2
50039530	2	ChEMBL_811119 (CHEMBL2014740)	Inhibition of Akt1
50039530	3	ChEMBL_811120 (CHEMBL2014741)	Inhibition of Akt2
50039531	1	ChEMBL_811341 (CHEMBL2013521)	Inhibition of MMP-14 using OmniMMP as substrate
50039531	2	ChEMBL_811340 (CHEMBL2013520)	Inhibition of MMP-12 using OmniMMP as substrate
50039531	3	ChEMBL_811339 (CHEMBL2013519)	Inhibition of MMP-9 using OmniMMP as substrate
50039531	4	ChEMBL_811338 (CHEMBL2013518)	Inhibition of MMP-3 using OmniMMP as substrate
50039531	5	ChEMBL_811337 (CHEMBL2013517)	Inhibition of MMP-1 using OmniMMP as substrate
50039531	6	ChEMBL_811334 (CHEMBL2013514)	Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4 hrs by FRET analysis
50039531	7	ChEMBL_811343 (CHEMBL2013523)	Inhibition of human ERG by fluorescence polarization assay
50039531	8	ChEMBL_811342 (CHEMBL2013522)	Inhibition of CYP2D6
50001208	1	ChEMBL_1712213 (CHEMBL4122262)	Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by automated fluorescence assay
50001208	2	ChEMBL_1712216 (CHEMBL4122265)	Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by manual fluorescence assay
50001208	3	ChEMBL_1712214 (CHEMBL4122263)	Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 15 mins by automated fluorescence assay
50001208	4	ChEMBL_1712221 (CHEMBL4122270)	Inhibition of doxycycline induced Hepsin in human MCF10A cells using Boc-QRR-AMC as substrate preincubated for 24 hrs followed by doxycycline induction for 24 hrs and subsequent addition of substrate by fluorescence assay
50001208	5	ChEMBL_1712258 (CHEMBL4122307)	Inhibition of recombinant Hepsin (unknown origin)
50001208	6	ChEMBL_1712217 (CHEMBL4122266)	Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 15 mins by manual fluorescence assay
50039532	2	ChEMBL_811485 (CHEMBL2013786)	Inhibition of KDR
50039532	3	ChEMBL_811486 (CHEMBL2013787)	Inhibition of JAK2
50039532	4	ChEMBL_811488 (CHEMBL2013789)	Inhibition of MAP3K7
50001208	7	ChEMBL_1712257 (CHEMBL4122306)	Inhibition of uPA (unknown origin)
50039533	1	ChEMBL_811654 (CHEMBL2014167)	Displacement of [125I]peptide YY from human NPY5 receptor
50039533	2	ChEMBL_811670 (CHEMBL2014183)	Inhibition of CYP2C8
50039533	3	ChEMBL_811673 (CHEMBL2014186)	Inhibition of CYP2D6
50039533	4	ChEMBL_811672 (CHEMBL2014185)	Inhibition of CYP2C19
50039533	5	ChEMBL_811671 (CHEMBL2014184)	Inhibition of CYP1A2
50039533	6	ChEMBL_811669 (CHEMBL2014182)	Inhibition of CYP3A4
50039534	1	ChEMBL_811699 (CHEMBL2014274)	Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in CHO cells
50039534	2	ChEMBL_811700 (CHEMBL2014275)	Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor expressed in CHO cells
50039534	3	ChEMBL_811707 (CHEMBL2014282)	Inhibition of CYP1A2
50039534	4	ChEMBL_811711 (CHEMBL2014286)	Inhibition of CYP3A4
50039534	5	ChEMBL_811708 (CHEMBL2014283)	Inhibition of CYP2C9
50039534	6	ChEMBL_811709 (CHEMBL2014284)	Inhibition of CYP2C19
50039534	7	ChEMBL_811710 (CHEMBL2014285)	Inhibition of CYP2D6
50039535	2	ChEMBL_811849 (CHEMBL2014580)	Inhibition of CDK7
50039536	1	ChEMBL_811892 (CHEMBL2013262)	Inhibition of MRP1
50039536	2	ChEMBL_811893 (CHEMBL2013263)	Inhibition of MRP2
50039536	3	ChEMBL_811894 (CHEMBL2013264)	Inhibition of BCRP
50039537	1	ChEMBL_811902 (CHEMBL2013272)	Inhibition of plasmin using tosyl-Gly-Pro-Lys-pNA as substrate by spectrofluorometry
50039537	2	ChEMBL_811900 (CHEMBL2013270)	Inhibition of urokinase-type plasminogen activator using Glt-Gly-Arg-AMC as substrate by spectrofluorometry
50039537	3	ChEMBL_811901 (CHEMBL2013271)	Inhibition of tPA using CH3SO2-D-HHT-Gly-Arg-pNA as substrate by spectrofluorometry
50039538	1	ChEMBL_812024 (CHEMBL2013394)	Inhibition of iNOS-induced NO production in LPS-stimulated mouse BV2 cells after 24 hrs
50039539	1	ChEMBL_812025 (CHEMBL2013395)	Displacement of [3H]-Ro256981 from human NR2B receptor
50039539	2	ChEMBL_812031 (CHEMBL2013457)	Inhibition of CYP1A2
50039539	3	ChEMBL_812032 (CHEMBL2013458)	Inhibition of CYP2C9
50039539	4	ChEMBL_812033 (CHEMBL2013459)	Inhibition of CYP2C19
50039539	5	ChEMBL_812034 (CHEMBL2013460)	Inhibition of CYP2D6
50039539	6	ChEMBL_812035 (CHEMBL2013461)	Inhibition of CYP3A4
50039540	1	ChEMBL_812058 (CHEMBL2013484)	Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins by ELISA
50039540	2	ChEMBL_812056 (CHEMBL2013482)	Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins by ELISA
50039540	3	ChEMBL_812052 (CHEMBL2013478)	Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay
50039540	4	ChEMBL_812049 (CHEMBL2013475)	Displacement of [3H]CP-55940 from rat recombinant CB1 receptor expressed in CHO cells after 90 mins
50039540	5	ChEMBL_812048 (CHEMBL2013474)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells after 90 mins
50039540	6	ChEMBL_812047 (CHEMBL2013473)	Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50039540	7	ChEMBL_812046 (CHEMBL2013472)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50039540	8	ChEMBL_812161 (CHEMBL2013665)	Agonist activity at human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins by ELISA
50039540	9	ChEMBL_812163 (CHEMBL2013667)	Agonist activity at rat recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 20 mins by ELISA
50039540	10	ChEMBL_812054 (CHEMBL2013480)	Agonist activity at rat recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay by FLIPR assay
50039541	1	ChEMBL_812331 (CHEMBL2014010)	Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by FLIPR assay
50039541	2	ChEMBL_812343 (CHEMBL2014022)	Inhibition of recombinant CYP2C9
50039541	3	ChEMBL_812336 (CHEMBL2014015)	Antagonist activity at rat P2X3 receptor
50039542	1	ChEMBL_812439 (CHEMBL2014225)	Inhibition of human recombinant nNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50039542	2	ChEMBL_812440 (CHEMBL2014226)	Inhibition of human recombinant eNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50039542	3	ChEMBL_812441 (CHEMBL2014227)	Inhibition of human recombinant iNOS expressed in baculovirus infected insect sf9 cells assessed as conversion of [3H]-L-arginine into [3H]-L-citrulline by radiometric method
50039542	4	ChEMBL_812453 (CHEMBL2014239)	Inhibition of rat nNOS
50039542	5	ChEMBL_812454 (CHEMBL2014240)	Inhibition of rat eNOS
50039542	6	ChEMBL_812455 (CHEMBL2014241)	Inhibition of rat iNOS
50001209	1	ChEMBL_1712259 (CHEMBL4122308)	Inhibition of human glutaminyl cyclase using Gln-AMC as substrate in presence of pyroglutamyl peptidase by fluorometric assay
50039544	1	ChEMBL_812472 (CHEMBL2014258)	Antagonist activity at androgen receptor in human LNAR cells expressing ARE-PSA-LUC by luminescence analysis in presence of R1881
50039545	1	ChEMBL_812480 (CHEMBL2014266)	Antagonist activity at human MCH1R expressed in forskolin-stimulated CHO cells assessed as inhibition of MCH-induced cAMP accumulation after 90 mins
50039545	2	ChEMBL_812484 (CHEMBL2014320)	Inhibition of DPP8
50039545	3	ChEMBL_812482 (CHEMBL2014318)	Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced response
50039545	4	ChEMBL_812483 (CHEMBL2014319)	Inhibition of human recombinant DPP4 using H-Gly-Pro-7-amino-4-methylcoumarin as substrate assessed as inhibition of 7-amino-4-methylcoumarin formation after 30 mins by fluorimetry
50039545	5	ChEMBL_812485 (CHEMBL2014321)	Inhibition of DPP9
50039545	6	ChEMBL_812486 (CHEMBL2014322)	Inhibition of human ERG
50039545	7	ChEMBL_812488 (CHEMBL2014324)	Inhibition of DPP4
50039546	1	ChEMBL_812494 (CHEMBL2014330)	Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hrs by luminescence assay
50039546	2	ChEMBL_812493 (CHEMBL2014329)	Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay
50039546	3	ChEMBL_809686 (CHEMBL2015997)	Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs by luminescence assay
50039547	1	ChEMBL_809692 (CHEMBL2016003)	Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes using 11 concentration of ligand after 90 mins by scintillation counting using complete competition binding curves analysis
50039547	2	ChEMBL_809690 (CHEMBL2016001)	Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting
50039547	3	ChEMBL_809691 (CHEMBL2016002)	Agonist activity at 5HT2C receptor expressed in CHO cells by fluorescence based calcium mobilization assay
50039548	1	ChEMBL_809717 (CHEMBL2016028)	Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot
50039548	2	ChEMBL_809715 (CHEMBL2016026)	Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot
50039548	3	ChEMBL_809716 (CHEMBL2016027)	Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot
50039548	4	ChEMBL_809718 (CHEMBL2016029)	Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot
50039549	1	ChEMBL_809727 (CHEMBL2016146)	Inhibition of COX2 after 5 mins by spectrophotometric analysis
50039549	2	ChEMBL_809726 (CHEMBL2016145)	Inhibition of COX1 after 5 mins by spectrophotometric analysis
50039549	3	ChEMBL_809728 (CHEMBL2016147)	Uncompetitive inhibition of COX2 by Lineweaver-Burk plot analysis
50039550	1	ChEMBL_809729 (CHEMBL2016148)	Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
50039551	1	ChEMBL_809737 (CHEMBL2016156)	Inhibition of human kallikrein 1
50039551	2	ChEMBL_809738 (CHEMBL2016157)	Inhibition of plasma kallikrein
50039551	3	ChEMBL_809739 (CHEMBL2016158)	Inhibition of human kallikrein 3
50039552	1	ChEMBL_809743 (CHEMBL2016162)	Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA
50039552	2	ChEMBL_809742 (CHEMBL2016161)	Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA
50039552	3	ChEMBL_809753 (CHEMBL2016172)	Inhibition of HSP90 in human A375 cells assessed as induction of HSP70 synthesis after 24 hrs by TRITC assay
50039552	4	ChEMBL_809754 (CHEMBL2016173)	Inhibition of HSP90-mediated Erk phosphorylation in human AU565 cells after 24 hrs by TRITC assay
50039552	5	ChEMBL_809755 (CHEMBL2016174)	Inhibition of HSP90-mediated pS6 phosphorylation in human A375 cells after 24 hrs by TRITC assay
50039553	1	ChEMBL_809762 (CHEMBL2016181)	Antagonist activity at human mGluR5
50039553	2	ChEMBL_809761 (CHEMBL2016180)	Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye by FLIPR assay
50039553	3	ChEMBL_809763 (CHEMBL2016182)	Antagonist activity at rat mGluR1
50039554	3	ChEMBL_809985 (CHEMBL2015094)	Inhibition of human BACE2 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FRET analysis
50001210	1	ChEMBL_1712266 (CHEMBL4122315)	Activation of KCNQ2 (unknown origin) expressed in CHO cells at 10 uM after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay
50001211	1	ChEMBL_1712276 (CHEMBL4122325)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay
50001212	1	ChEMBL_1712282 (CHEMBL4122331)	Displacement of [3H]-CGP-12177 from adrenergic beta1 receptor in Wistar rat cortex incubated for 60 mins by microbeta liquid scintillation counting analysis
50001212	2	ChEMBL_1712279 (CHEMBL4122328)	Displacement of [3H]8-prazosin from adrenergic alpha1 receptor in Wistar rat cortex incubated for 30 mins by microbeta liquid scintillation counting analysis
50001213	1	ChEMBL_1712380 (CHEMBL4122429)	Inhibition of human Nav1.5 expressed in HEK cells at holding potential of -50 mV followed by voltage step to -120 mV by PatchXpress electrophysiology assay
50001213	2	ChEMBL_1712379 (CHEMBL4122428)	Inhibition of human Nav1.7 expressed in HEK cells clamped to holding potential yielding 20 to 50% inactivation assessed as reduction in peak sodium current by PatchXpress electrophysiology assay
50039555	1	ChEMBL_809993 (CHEMBL2015102)	Displacement of [3H]WIN 35,428 from human dopamine active transporter
50039555	2	ChEMBL_809994 (CHEMBL2015103)	Displacement of [3H]citalopram from human serotonin transporter
50039556	1	ChEMBL_810011 (CHEMBL2015120)	Inhibition of PDE4B
50039556	2	ChEMBL_810013 (CHEMBL2015122)	Inhibition of PDE11
50039556	3	ChEMBL_810014 (CHEMBL2015123)	Inhibition of PDE4D
50039556	4	ChEMBL_810020 (CHEMBL2015129)	Inhibition of CYP3A4
50039556	5	ChEMBL_810021 (CHEMBL2015130)	Inhibition of CYP2D6
50039556	6	ChEMBL_810022 (CHEMBL2015131)	Inhibition of CYP2C9
50039556	7	ChEMBL_810023 (CHEMBL2015132)	Inhibition of CYP2C19
50039557	1	ChEMBL_810556 (CHEMBL2015306)	Inhibition of telomerase supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay
50039558	1	ChEMBL_810560 (CHEMBL2015310)	Inhibition of Mycobacterium smegmatis DXR
50039558	2	ChEMBL_810561 (CHEMBL2015311)	Inhibition of Mycobacterium smegmatis DSM 43756 ATCC 19420 N-terminal his-tagged DXR expressed in XL1-blue Escherichia coli using NADPH and DXP as substrate preincubated for 2 mins with substrate before compound addition
50039559	1	ChEMBL_810573 (CHEMBL2015551)	Displacement of [3H]haTRAP from human PAR1 after 1 hr by TopCount scintillation counting
50039560	1	ChEMBL_810738 (CHEMBL2015971)	Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method
50039560	2	ChEMBL_810739 (CHEMBL2015972)	Inhibition of human recombinant DGAT1 in Chang cells using [14C]-glycerol as substrate assessed as decrease in triglycerides synthesis after 6 hrs by HPLC analysis
50039561	1	ChEMBL_810746 (CHEMBL2015979)	Antagonist activity at human recombinant 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5HT-induced intracellular calcium level incubated for 15 mins prior to 5HT-induction measured after 1 hr by fluo-4-AM-based fluorimetry
50039562	1	ChEMBL_810760 (CHEMBL2016079)	Displacement of [3H]N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide from LXRalpa by scintillation proximity assay
50001213	3	ChEMBL_1712376 (CHEMBL4122425)	Inhibition of human Nav1.7 expressed in HEK cells clamped to holding potential yielding 20 to 50% inactivation by PatchXpress electrophysiology assay
50001213	4	ChEMBL_1712384 (CHEMBL4122433)	Displacement of [3H]-6,6-fused heteroaryl-sulfonamide derivative from human Nav1.7 expressed in HEK293 cell membranes preincubated for 30 mins followed by radioligand addition measured after 1 hr by scintillation counting analysis
50039563	1	ChEMBL_810765 (CHEMBL2016084)	Binding affinity to human recombinant Tie2 by SPR assay
50039564	1	ChEMBL_810785 (CHEMBL2016104)	Inhibition of MEK1-mediated ERK1 phosphorylation using IPTTPITTYFFFK-5FAM-COOH as substrate by fluorescent polarization assay
50039565	1	ChEMBL_810973 (CHEMBL2016367)	Inhibition of DHFR using dihydrofolate as substrate following 3 mins substrate preincubation measured after 3 mins by spectrophotometric analysis
50001214	1	ChEMBL_1712395 (CHEMBL4122444)	Agonist activity at TRPV1 in neonatal rat DRG neurons assessed as increase in calcium influx after 10 mins in presence of 45Ca2+ by Beckman CP scintillation counting method
50039566	2	ChEMBL_811180 (CHEMBL2014885)	Partial agonist activity at wild type rat recombinant alpha7 nAChR expressed in Xenopus oocyte by voltage clamp electrophysiology assay
50001214	2	ChEMBL_1712394 (CHEMBL4122443)	Antagonist activity at TRPV1 in neonatal rat DRG neurons assessed as inhibition of capsaicin-induced intracellular calcium after 10 mins in presence of 45Ca2+ by Beckman CP scintillation counting method
50039567	1	ChEMBL_811205 (CHEMBL2015040)	Inhibition of CYP1A1 activity in rat liver microsomes using benzo[alpha]pyrene as substrate after 10 mins by fluorescence analysis
50039568	1	ChEMBL_811525 (CHEMBL2013879)	Inhibition of integrin alpha4 beta7 receptor in mouse TK1 cells assessed as inhibition of Mn2+-activated cell adhesion to mouse MAdCAM-1-Fc after 1 hr using methylene blue staining
50039569	1	ChEMBL_811526 (CHEMBL2013880)	Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs
50039569	2	ChEMBL_811527 (CHEMBL2013881)	Agonist activity at human CXCR7 expressed in HEK293T cells co-expressing beta-arrestin2-YFP assessed as beta-arrestin2 recruitment after 1 hr by BRET assay
50039569	3	ChEMBL_811528 (CHEMBL2013882)	Agonist activity at human CXCR7 expressed in HEK293 cells assessed as reduction of receptor surface expression after 1 hr by ELISA based internalization assay
50039570	1	ChEMBL_811531 (CHEMBL2013885)	Binding affinity to Mcl-1
50039571	1	ChEMBL_811721 (CHEMBL2014296)	Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay
50039571	2	ChEMBL_811724 (CHEMBL2014299)	Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay
50039571	3	ChEMBL_811723 (CHEMBL2014298)	Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay
50039571	4	ChEMBL_811726 (CHEMBL2014301)	Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay
50039571	5	ChEMBL_811728 (CHEMBL2014303)	Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay
50039571	6	ChEMBL_811725 (CHEMBL2014300)	Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay
50039571	7	ChEMBL_811727 (CHEMBL2014302)	Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay
50039571	8	ChEMBL_811722 (CHEMBL2014297)	Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay
50039572	1	ChEMBL_811753 (CHEMBL2014374)	Inhibition of aromatase
50039572	2	ChEMBL_811754 (CHEMBL2014375)	Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by fluorescence-based spectrophotometry
50039573	1	ChEMBL_811755 (CHEMBL2014376)	Inhibition of electric eel acetylcholinesterase using acetylcholine chloride as substrate preincubated for 15 mins before substrate addition by Ellman's method
50039573	2	ChEMBL_811756 (CHEMBL2014377)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine chloride as substrate preincubated for 15 mins before substrate addition by Ellman's method
50039574	1	ChEMBL_811773 (CHEMBL2014394)	Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry
50039574	2	ChEMBL_811772 (CHEMBL2014393)	Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis
50039574	3	ChEMBL_811771 (CHEMBL2014392)	Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry
50039574	4	ChEMBL_811911 (CHEMBL2013281)	Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis
50039575	1	ChEMBL_811916 (CHEMBL2013286)	Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry
50039575	2	ChEMBL_811917 (CHEMBL2013287)	Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry
50039576	1	ChEMBL_813521 (CHEMBL2019529)	Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr
50039577	2	ChEMBL_813545 (CHEMBL2019654)	Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluorescence polarization assay
50039577	3	ChEMBL_813565 (CHEMBL2019674)	Inhibition of IRAK4
50039577	4	ChEMBL_813547 (CHEMBL2019656)	Inhibition of ABL1
50039577	5	ChEMBL_813548 (CHEMBL2019657)	Inhibition of ALK4
50039577	6	ChEMBL_813549 (CHEMBL2019658)	Inhibition of AKT1
50039577	7	ChEMBL_813550 (CHEMBL2019659)	Inhibition of AMPKA1
50039577	8	ChEMBL_813551 (CHEMBL2019660)	Inhibition of AMPKB1
50039577	9	ChEMBL_813552 (CHEMBL2019661)	Inhibition of AMPKG1
50039577	10	ChEMBL_813553 (CHEMBL2019662)	Inhibition of Aurora A
50039577	11	ChEMBL_813554 (CHEMBL2019663)	Inhibition of CAMK1D
50039577	15	ChEMBL_813558 (CHEMBL2019667)	Inhibition of CHK2
50039577	16	ChEMBL_813559 (CHEMBL2019668)	Inhibition of CK1delta
50039577	17	ChEMBL_813560 (CHEMBL2019669)	Inhibition of DAPK3
50039577	18	ChEMBL_813561 (CHEMBL2019670)	Inhibition of EGFR
50039577	19	ChEMBL_813562 (CHEMBL2019671)	Inhibition of EPHB1
50039577	20	ChEMBL_813563 (CHEMBL2019672)	Inhibition of GSK3beta
50039577	21	ChEMBL_813564 (CHEMBL2019673)	Inhibition of INSR
50039577	22	ChEMBL_813566 (CHEMBL2019675)	Inhibition of JAK2
50039577	23	ChEMBL_813567 (CHEMBL2019676)	Inhibition of p38delta
50039577	24	ChEMBL_813568 (CHEMBL2019677)	Inhibition of MST4
50039577	25	ChEMBL_813569 (CHEMBL2019678)	Inhibition of NEK2
50039577	26	ChEMBL_813570 (CHEMBL2019679)	Inhibition of NTRK1
50039577	27	ChEMBL_813571 (CHEMBL2019680)	Inhibition of PAK3
50039577	28	ChEMBL_813572 (CHEMBL2019681)	Inhibition of PDGFRB
50039577	29	ChEMBL_813573 (CHEMBL2019682)	Inhibition of PIM2
50039577	30	ChEMBL_813574 (CHEMBL2019683)	Inhibition of PLK3
50039577	31	ChEMBL_813575 (CHEMBL2019684)	Inhibition of PRKACA
50039577	32	ChEMBL_813576 (CHEMBL2019685)	Inhibition of PKCtheta
50039577	33	ChEMBL_813577 (CHEMBL2019686)	Inhibition of ROCK1
50039577	34	ChEMBL_813578 (CHEMBL2019687)	Inhibition of RPS6KA3
50039577	35	ChEMBL_813579 (CHEMBL2019688)	Inhibition of SRC
50039578	2	ChEMBL_813708 (CHEMBL2019910)	Inhibition of human MET
50039578	3	ChEMBL_813709 (CHEMBL2019911)	Inhibition of human MST2
50039578	4	ChEMBL_813710 (CHEMBL2019912)	Inhibition of human TSSK2
50039578	5	ChEMBL_813711 (CHEMBL2019913)	Inhibition of human ROCK2
50039578	6	ChEMBL_813712 (CHEMBL2019914)	Inhibition of human IGF1R
50039578	7	ChEMBL_813714 (CHEMBL2019916)	Inhibition of human IKKB
50039578	8	ChEMBL_813715 (CHEMBL2019917)	Inhibition of human LCK
50039578	9	ChEMBL_813716 (CHEMBL2019918)	Inhibition of human CSNK1D
50039578	11	ChEMBL_813719 (CHEMBL2019921)	Inhibition of CYP3A4 in human liver microsomes co-incubated with testosterone
50039578	12	ChEMBL_813721 (CHEMBL2019923)	Inhibition of CYP2D6 in human liver microsomes co-incubated with dextromethorphan
50039578	14	ChEMBL_813723 (CHEMBL2019981)	Inhibition of CYP2C9 in human liver microsomes co-incubated with tolbutamide
50039578	16	ChEMBL_813701 (CHEMBL2019903)	Inhibition of MK2 using Acam peptide as substrate incubated for 30 mins prior to substrate addition measured after 10 mins using 2 uM ATP by DELFIA assay
50001215	1	ChEMBL_1712417 (CHEMBL4122466)	Inhibition of full length recombinant human PDE1B1 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50001215	2	ChEMBL_1712418 (CHEMBL4122467)	Inhibition of full length recombinant human PDE1C using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50001215	3	ChEMBL_1712422 (CHEMBL4122471)	Inhibition of bovine retina PDE6A using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50039578	19	ChEMBL_813713 (CHEMBL2019915)	Inhibition of human AKT1
50001215	4	ChEMBL_1712424 (CHEMBL4122473)	Inhibition of full length recombinant human PDE8B using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50001215	5	ChEMBL_1712425 (CHEMBL4122474)	Inhibition of full length recombinant human PDE9A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50039578	18	ChEMBL_813703 (CHEMBL2019905)	Inhibition of MK2-mediated HSP27 phosphorylation in IL-1beta stimulated human SW1353 cells incubated for 30 mins prior to IL-1beta-stimulation measured after 27 mins by ELISA
50001215	6	ChEMBL_1712426 (CHEMBL4122475)	Inhibition of full length recombinant human PDE10A1 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50001215	7	ChEMBL_1712427 (CHEMBL4122476)	Inhibition of full length recombinant human PDE11A4 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50001215	8	ChEMBL_1712475 (CHEMBL4122524)	Inhibition of recombinant C-terminal FLAG tagged human PDE1C expressed in HEK293 cells using 3',5'-[3H]cAMP as substrate
50001215	9	ChEMBL_1712476 (CHEMBL4122525)	Inhibition of recombinant human PDE3A expressed in HEK293 cells using 3',5'-[3H]cAMP as substrate
50001215	10	ChEMBL_1712477 (CHEMBL4122526)	Inhibition of recombinant C-terminal FLAG tagged human PDE1C expressed in HEK293 cells using 3',5'-[3H]cGMP as substrate
50001215	11	ChEMBL_1712478 (CHEMBL4122527)	Inhibition of recombinant human PDE3A expressed in HEK293 cells using 3',5'-[3H]cGMP as substrate
50001215	12	ChEMBL_1712416 (CHEMBL4122465)	Inhibition of full length recombinant human PDE1A using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50039578	20	ChEMBL_813705 (CHEMBL2019907)	Inhibition of human IRAK4
50039578	21	ChEMBL_813706 (CHEMBL2019908)	Inhibition of human CAMK4
50039579	1	ChEMBL_813831 (CHEMBL2020200)	Inhibition of PI3Kalpha
50039579	2	ChEMBL_813832 (CHEMBL2020201)	Inhibition of mTOR
50039580	1	ChEMBL_813854 (CHEMBL2020223)	Inhibition of rabbit muscle FBA assessed as inhibition of FBP cleavage by spectrophotometry
50039580	2	ChEMBL_813853 (CHEMBL2020222)	Inhibition of His-tagged recombinant Trypanosoma brucei fructose bis-phosphate aldolase expressed in Escherichia coli using FBP as substrate after 5 to 15 mins
50039581	1	ChEMBL_813856 (CHEMBL2020225)	Inhibition of human galactosidase after 30 mins by Kinase-GloTM assay
50039582	1	ChEMBL_813865 (CHEMBL2020234)	Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
50039582	2	ChEMBL_812703 (CHEMBL2019204)	Agonist activity at human S1P2 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as intracellular calcium release by fluorimetry
50039582	3	ChEMBL_812704 (CHEMBL2019205)	Agonist activity at human S1P3 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as intracellular calcium release by fluorimetry
50039582	4	ChEMBL_812705 (CHEMBL2019206)	Agonist activity at human S1P4 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as calcium mobilization-induced bioluminescence change after measured for 90 secs by fluorimetry
50039582	5	ChEMBL_812706 (CHEMBL2019207)	Agonist activity at human S1P5 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as calcium mobilization-induced bioluminescence change measured for 90 secs by fluorimetry
50039582	6	ChEMBL_812720 (CHEMBL2019938)	Inhibition of human ERG
50039582	7	ChEMBL_812721 (CHEMBL2019939)	Inhibition of human CYP3A4
50039582	8	ChEMBL_812722 (CHEMBL2019940)	Inhibition of human CYP2D6
50039583	1	ChEMBL_812733 (CHEMBL2019951)	Inhibition of BRCT domain of His-tagged BRCA1 after 1 min by competitive fluorescence polarization assay
50039584	1	ChEMBL_812735 (CHEMBL2019953)	Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting
50039585	1	ChEMBL_812892 (CHEMBL2020267)	Displacement of dofetilide from human ERG
50039585	2	ChEMBL_812832 (CHEMBL2020153)	Inhibition of PI3Kgamma
50039585	3	ChEMBL_812833 (CHEMBL2020154)	Inhibition of PI3Kalpha using 1-alpha-phosphatidylinositol as substrate by ATP depletion assay
50039585	4	ChEMBL_812848 (CHEMBL2020169)	Inhibition of PI3K p110alpha subunit using [gamma33P]ATP by filter binding assay
50039585	5	ChEMBL_812851 (CHEMBL2020172)	Inhibition of PI3K VPS34 using 1-alpha-phosphatidylinositol as substrate by ATP depletion assay
50039585	6	ChEMBL_812852 (CHEMBL2020173)	Inhibition of PI3K p110beta subunit using [gamma33P]ATP by filter binding assay
50039585	7	ChEMBL_812853 (CHEMBL2020174)	Inhibition of PI3K p110delta subunit using [gamma33P]ATP by filter binding assay
50039585	8	ChEMBL_812854 (CHEMBL2020175)	Inhibition of PI3K p110gamma subunit using [gamma33P]ATP by filter binding assay
50039585	9	ChEMBL_812855 (CHEMBL2020176)	Inhibition of mTOR after 15 mins by TR-FRET assay
50039585	10	ChEMBL_812857 (CHEMBL2020178)	Inhibition of PI4Kbeta using 1-alpha-phosphatidylinositol as substrate by ATP depletion assay
50039586	1	ChEMBL_812915 (CHEMBL2020290)	Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by reporter gene assay
50039586	2	ChEMBL_812916 (CHEMBL2020291)	Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter gene assay
50039587	1	ChEMBL_812982 (CHEMBL2020396)	Inhibition of human recombinant HDAC6 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs
50039587	2	ChEMBL_812981 (CHEMBL2020395)	Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs
50039588	1	ChEMBL_812997 (CHEMBL2020459)	Blockade of human full-length NaV1.5 expressed in HEK293 cells co-transfected with pCD8-IRES-hbeta1 assessed as 0.1 Hz of half-maximal tonic-induced channel current at -120 mV holding potential after 36 to 72 hrs by patch clamp assay
50039588	2	ChEMBL_812998 (CHEMBL2020460)	Blockade of human full-length NaV1.5 expressed in HEK293 cells co-transfected with pCD8-IRES-hbeta1 assessed as 10 Hz of use-dependent-induced channel current at -120 mV holding potential after 36 to 72 hrs by patch clamp assay
50039589	1	ChEMBL_813022 (CHEMBL2020534)	Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
50039589	2	ChEMBL_813023 (CHEMBL2020535)	Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
50039589	3	ChEMBL_813038 (CHEMBL2020550)	Inhibition of human CYP2C9 using tolbutamide as substrate by LC/MS/MS analysis
50039589	4	ChEMBL_813024 (CHEMBL2020536)	Antagonist activity at S1P2 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
50039589	5	ChEMBL_813025 (CHEMBL2020537)	Antagonist activity at S1P3 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
50039589	6	ChEMBL_813039 (CHEMBL2020551)	Inhibition of human CYP2D6 using bufuralol as substrate by LC/MS/MS analysis
50039589	7	ChEMBL_813040 (CHEMBL2020552)	Inhibition of human CYP3A4 using testosterone as substrate by LC/MS/MS analysis
50039590	1	ChEMBL_813068 (CHEMBL2020642)	Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting
50039590	2	ChEMBL_813069 (CHEMBL2020643)	Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting
50039591	1	ChEMBL_813085 (CHEMBL2020659)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-6 release after 12 hrs by bead array assay
50039591	2	ChEMBL_813078 (CHEMBL2020652)	Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay
50039591	3	ChEMBL_813081 (CHEMBL2020655)	Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay
50039591	4	ChEMBL_813080 (CHEMBL2020654)	Agonist activity at human TLR8 expressed in HEK-Blue cells assessed as increase in NFkappaB activation by sAP reporter gene assay
50039591	5	ChEMBL_813079 (CHEMBL2020653)	Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene assay
50039591	6	ChEMBL_813083 (CHEMBL2020657)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-8 release after 12 hrs by bead array assay
50039591	7	ChEMBL_813084 (CHEMBL2020658)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-TNF-alpha release after 12 hrs by bead array assay
50039591	8	ChEMBL_813086 (CHEMBL2020660)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-8 release after 12 hrs by bead array assay
50039591	9	ChEMBL_813088 (CHEMBL2020662)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-6 release after 12 hrs by bead array assay
50039591	10	ChEMBL_813089 (CHEMBL2020663)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced TNF-alpha release after 12 hrs by bead array assay
50039591	11	ChEMBL_813090 (CHEMBL2020664)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-1beta release after 12 hrs by bead array assay
50039591	12	ChEMBL_813091 (CHEMBL2020665)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CXCL10 release after 12 hrs by bead array assay
50039591	13	ChEMBL_813092 (CHEMBL2020666)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CCL2 release after 12 hrs by bead array assay
50039591	14	ChEMBL_813093 (CHEMBL2020667)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-1beta release after 12 hrs by bead array assay
50039591	15	ChEMBL_813094 (CHEMBL2020668)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CXCL10 release after 12 hrs by bead array assay
50039591	16	ChEMBL_813095 (CHEMBL2020669)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CCL2 release after 12 hrs by bead array assay
50039592	1	ChEMBL_813098 (CHEMBL2020672)	Inhibition of CYP1A2 in human liver microsomes using phenacetin preincubated for 5 mins by LC-MS/MS analysis
50039592	2	ChEMBL_813099 (CHEMBL2020718)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	3	ChEMBL_813100 (CHEMBL2020719)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	4	ChEMBL_813102 (CHEMBL2020721)	Inhibition of CYP2C19 in human liver microsomes using (S)-mpheytoin as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	5	ChEMBL_813103 (CHEMBL2020722)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	6	ChEMBL_813104 (CHEMBL2020723)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	7	ChEMBL_813101 (CHEMBL2020720)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins by LC-MS/MS analysis
50039592	8	ChEMBL_813096 (CHEMBL2020670)	Inhibition of recombinant CYP2C19 using 3-O-methylfluorescein as substrate preincubated for 3 mins
50039592	9	ChEMBL_813105 (CHEMBL2020724)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins by LC-MS/MS analysis
50039593	1	ChEMBL_813111 (CHEMBL2020730)	Inhibition of bovine erythrocytes AChE by Ellman's method
50001215	13	ChEMBL_1712419 (CHEMBL4122468)	Inhibition of full length recombinant human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50039593	3	ChEMBL_813113 (CHEMBL2020732)	Inhibition of human erythrocytes AChE by Ellman's method
50039593	4	ChEMBL_813112 (CHEMBL2020731)	Inhibition of horse serum BChE by Ellman's method
50039593	5	ChEMBL_813114 (CHEMBL2020733)	Inhibition of human serum BChE by Ellman's method
50001215	14	ChEMBL_1712415 (CHEMBL4122464)	Inhibition of full length recombinant human PDE4D3 using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50039594	1	ChEMBL_813150 (CHEMBL2020816)	Inhibition of human dopamine D2L receptor expressed in intact CHO FlpIn cells assessed as inhibition of receptor-mediated mediated ERK1/2 phosphorylation by Alpha-Screen plate-based assay
50039594	2	ChEMBL_813151 (CHEMBL2020817)	Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO FlpIn cell membrane measured after 60 mins by topcount scintillation counting
50039595	1	ChEMBL_813161 (CHEMBL2020827)	Binding affinity to biotinylated Avi-tagged TNKS1
50039595	2	ChEMBL_813162 (CHEMBL2020828)	Binding affinity to biotinylated Avi-tagged TNKS2
50039595	3	ChEMBL_813154 (CHEMBL2020820)	Inhibition of GST-tagged TNKS1P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis
50039595	4	ChEMBL_813155 (CHEMBL2020821)	Inhibition of GST-tagged TNKS2P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis
50039595	5	ChEMBL_813156 (CHEMBL2020822)	Inhibition of mouse Wnt3A signaling in human HEK293 cells after 1 day by super top flash luciferase reporter gene assay
50039595	6	ChEMBL_813157 (CHEMBL2020823)	Inhibition of CYP2C9
50039595	7	ChEMBL_813163 (CHEMBL2020829)	Inhibition of PARP1 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis
50039595	8	ChEMBL_813164 (CHEMBL2020830)	Inhibition of PARP2 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis
50039595	9	ChEMBL_813165 (CHEMBL2020831)	Inhibition of human ERG by radioligand binding assay
50039595	10	ChEMBL_813159 (CHEMBL2020825)	Inhibition of CYP3A4
50039595	11	ChEMBL_813158 (CHEMBL2020824)	Inhibition of CYP2D6
50039595	12	ChEMBL_813160 (CHEMBL2020826)	Stabilization of Axin2 in human SW480 cells after 24 hrs by sandwich ELISA
50039596	1	ChEMBL_813172 (CHEMBL2020838)	Inhibition of plasmin by dixon plot method
50039596	2	ChEMBL_813173 (CHEMBL2020839)	Inhibition of plasma kallikrein by dixon plot method
50039596	3	ChEMBL_813175 (CHEMBL2020841)	Inhibition of factor 10a by dixon plot method
50039596	4	ChEMBL_813174 (CHEMBL2020840)	Inhibition of thrombin by dixon plot method
50039596	5	ChEMBL_813176 (CHEMBL2020842)	Inhibition of activated protein C by dixon plot method
50039597	1	ChEMBL_813179 (CHEMBL2020845)	Inhibition of human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay
50039597	2	ChEMBL_813180 (CHEMBL2020846)	Inhibition of human recombinant PDE3A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay
50039597	3	ChEMBL_813181 (CHEMBL2020847)	Inhibition of human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay
50001215	15	ChEMBL_1712421 (CHEMBL4122470)	Inhibition of full length recombinant human PDE5A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay
50001215	16	ChEMBL_1712423 (CHEMBL4122472)	Inhibition of full length recombinant human PDE7B using 3',5'-[3H]cAMP as substrate after 30 mins by scintillation proximity assay
50001215	17	ChEMBL_1712479 (CHEMBL4122528)	Inhibition of recombinant human PDE5A expressed in HEK293 cells using 3',5'-[3H]cGMP as substrate
50001216	1	ChEMBL_1712611 (CHEMBL4122660)	Inhibition of CYP2C8 (unknown origin)
50001216	2	ChEMBL_1712585 (CHEMBL4122634)	Inhibition of CYP2D6 (unknown origin)
50039598	1	ChEMBL_813215 (CHEMBL2020947)	Inhibition of CYP2C9
50039598	2	ChEMBL_813216 (CHEMBL2020948)	Inhibition of CYP3A4
50039599	1	ChEMBL_813323 (CHEMBL2019444)	Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced increase in intracellular Ca2+ level measured every 5 mins by FLIPR assay
50039600	1	ChEMBL_813334 (CHEMBL2019455)	Displacement of [3H]CP 55,940 from human CB1 receptor expressed in insect sf9 membranes
50039600	2	ChEMBL_813335 (CHEMBL2019456)	Displacement of [3H]CP 55,940 from human CB2 receptor expressed in insect sf9 membranes
50039600	3	ChEMBL_813365 (CHEMBL2019592)	Displacement of [3H]dofetilide from human ERG
50039601	1	ChEMBL_813377 (CHEMBL2019604)	Agonist activity at human CCK1 receptor assessed as increase in CCK8-induced calcium release incubated in dark for 30 mins followed by light incubation for 30 mins measured by FLIPR assay
50039601	2	ChEMBL_813439 (CHEMBL2019335)	Displacement of [125I]-CCK-2 from rat CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting
50039601	3	ChEMBL_813376 (CHEMBL2019603)	Displacement of [125I]-CCK-2 from human CCK1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting
50039602	1	ChEMBL_813440 (CHEMBL2019336)	Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition measured by fluorescence analysis
50039602	2	ChEMBL_813441 (CHEMBL2019337)	Inhibition of TCPTP
50039603	1	ChEMBL_813469 (CHEMBL2019477)	Displacement of [125I]-LVA from prairie vole vasopressin V1A receptor after 72 hrs
50039603	2	ChEMBL_813473 (CHEMBL2019481)	Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting
50039603	3	ChEMBL_813468 (CHEMBL2019476)	Displacement of [125I]-OVTA from prairie vole Oxytocin receptor after 72 hrs
50039603	4	ChEMBL_813470 (CHEMBL2019478)	Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting
50039603	5	ChEMBL_813471 (CHEMBL2019479)	Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting
50039603	6	ChEMBL_813472 (CHEMBL2019480)	Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting
50039604	1	ChEMBL_813665 (CHEMBL2019867)	Inhibition of human Lyn
50039604	2	ChEMBL_813619 (CHEMBL2019768)	Inhibition of human recombinant Sky using poly-GT as substrate and [33P]ATP after 40 mins by beta counting
50039605	1	ChEMBL_813752 (CHEMBL2020010)	Inhibition of electric eel AChE using acetylcholine iodide as substrate measured every 5 sec for 2 mins by Ellman's method
50039605	2	ChEMBL_813756 (CHEMBL2020014)	Inhibition of human AChE by Ellman's method
50039605	3	ChEMBL_813758 (CHEMBL2020016)	Inhibition of AChE by Ellman's method
50039606	1	ChEMBL_813784 (CHEMBL2020092)	Inhibition of CYP3A4
50039606	2	ChEMBL_813785 (CHEMBL2020093)	Inhibition of CYP2D6
50039607	1	ChEMBL_813801 (CHEMBL2020109)	Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting
50039607	2	ChEMBL_813802 (CHEMBL2020110)	Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50039608	1	ChEMBL_813922 (CHEMBL2020401)	Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis
50039608	2	ChEMBL_813923 (CHEMBL2020402)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis
50039609	1	ChEMBL_812670 (CHEMBL2019171)	Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA
50039609	2	ChEMBL_812669 (CHEMBL2019170)	Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting
50039609	3	ChEMBL_812672 (CHEMBL2019173)	Antagonist activity at human CCR4 in human whole blood assessed as inhibition of TARC-induced CD4+ CCR4+lymphocyte chemotaxis measuring F-actin content
50039610	1	ChEMBL_812807 (CHEMBL2020074)	Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins
50039610	2	ChEMBL_812808 (CHEMBL2020075)	Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins
50039610	3	ChEMBL_812809 (CHEMBL2020076)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 25 mins
50039610	4	ChEMBL_812810 (CHEMBL2020077)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins
50039610	5	ChEMBL_812829 (CHEMBL2020150)	Binding affinity to human CB2 receptor
50039611	1	ChEMBL_813948 (CHEMBL2020427)	Inhibition of GST-tagged human recombinant PTB1B using pNPP as substrate after 3 mins
50039611	2	ChEMBL_813949 (CHEMBL2020428)	Inhibition of TCPTP after 3 mins
50039611	3	ChEMBL_813950 (CHEMBL2020429)	Inhibition of SHP2 using OMFP as substrate after 3 mins
50039611	4	ChEMBL_813951 (CHEMBL2020430)	Inhibition of SHP1 using OMFP as substrate after 3 mins
50039611	5	ChEMBL_813952 (CHEMBL2020431)	Inhibition of LAR using OMFP as substrate after 3 mins
50039612	1	ChEMBL_813971 (CHEMBL2020483)	Displacement of [3H]DPDPE from kappa opioid receptor in guinea pig cerebellum membrane
50039612	2	ChEMBL_813972 (CHEMBL2020484)	Displacement of [3H]U-69,593 from mouse brain delta opioid receptor
50039612	3	ChEMBL_813975 (CHEMBL2020487)	Binding affinity to kappa opioid receptor
50039612	4	ChEMBL_813970 (CHEMBL2020482)	Displacement of [3H]DAMGO from mouse brain mu opioid receptor
50039613	1	ChEMBL_813976 (CHEMBL2020488)	Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in insect Sf9 membranes
50039613	2	ChEMBL_813979 (CHEMBL2020491)	Antagonist activity at human NPYY1 assessed as inhibition of [35S]GTPgammaS binding
50039614	1	ChEMBL_814032 (CHEMBL2020584)	Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human A549 cells after 3 hrs by chemiluminescence assay
50039614	2	ChEMBL_814030 (CHEMBL2020582)	Inhibition of p70S6K after 3 hrs by luciferase based chemiluminescence assay
50039614	3	ChEMBL_814081 (CHEMBL2020675)	Inhibition of AKT1-mediated GSK3beta phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay
50039614	4	ChEMBL_814031 (CHEMBL2020583)	Inhibition of AKT1 after 3 hrs by luciferase based chemiluminescence assay
50039614	5	ChEMBL_814033 (CHEMBL2020585)	Inhibition of p70S6K-mediated ribosomal protein S6 phosphorylation in human PC3 cells after 3 hrs by chemiluminescence assay
50039615	1	ChEMBL_814095 (CHEMBL2020689)	Inhibition of VEGFR-2 kinase
50039615	2	ChEMBL_814082 (CHEMBL2020676)	Inhibition of recombinant VEGFR-2 kinase domain by homogeneous time-resolved fluorescence assay
50039616	1	ChEMBL_814099 (CHEMBL2020693)	Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorescence analysis
50039616	2	ChEMBL_814100 (CHEMBL2020694)	Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate pretreated for 10 mins measured after 3 hrs by fluorescence analysis in presence of human plasma
50039616	3	ChEMBL_814101 (CHEMBL2020695)	Binding affinity to human Erg
50039616	4	ChEMBL_814102 (CHEMBL2020696)	Reversible inhibition of CYP3A4-mediated conversion of testosterone to 6-beta-hydroxy-testosterone after 30 mins
50039617	1	ChEMBL_814113 (CHEMBL2020707)	Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate preincubated for 15 mins prior substrate addition measured after 15 mins by spectrophotometry
50039618	1	ChEMBL_814117 (CHEMBL2020711)	Inhibition of His6-tagged human Pin1 expressed in Escherichia coli BL21 using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by spectrophotometric analysis
50039618	2	ChEMBL_814118 (CHEMBL2020712)	Inhibition of human Pin1
50039619	1	ChEMBL_814121 (CHEMBL2020715)	Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition measured up to 60 mins by FRET-based analysis
50039620	1	ChEMBL_814123 (CHEMBL2020717)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum
50039620	2	ChEMBL_814124 (CHEMBL2020765)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum
50001216	3	ChEMBL_1712616 (CHEMBL4122665)	Inhibition of recombinant human CYP2D6 expressed in bacterial membranes using AMMC as substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by fluorescence assay
50001216	4	ChEMBL_1712581 (CHEMBL4122630)	Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA
50039620	3	ChEMBL_814125 (CHEMBL2020766)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum
50039621	1	ChEMBL_814131 (CHEMBL2020772)	Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate and 5 uM ATP by radiometric assay
50039621	2	ChEMBL_814129 (CHEMBL2020770)	Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate and 30 uM ATP by radiometric assay
50039621	3	ChEMBL_814130 (CHEMBL2020771)	Inhibition of Flt3
50039622	1	ChEMBL_814147 (CHEMBL2020788)	Inhibition of human Erg expressed in HEK293 cells by whole cell patch clamp assay
50039623	1	ChEMBL_814151 (CHEMBL2020792)	Inhibition of His-tagged RSK2 expressed in Sf9 cells using ERalpha-Ser167 RLASTND as substrate after 120 mins by chemiluminescence assay
50039624	1	ChEMBL_814162 (CHEMBL2020803)	Inhibition of IMPDH2 using inosine 5'-monophosphate as substrate by spectrophotometry
50039625	1	ChEMBL_814165 (CHEMBL2020806)	Inhibition of recombinant His-tagged PDE4B expressed in Sf9 cells using cAMP as substrate preincubated for 15 mins prior substrate addition measured after 1 hr by spectrophotometry
50039626	1	ChEMBL_814174 (CHEMBL2020888)	Inhibition of recombinant N-terminus His6 tagged Syk (343 to 635) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation counting
50039626	2	ChEMBL_814173 (CHEMBL2020887)	Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation counting
50039626	3	ChEMBL_814175 (CHEMBL2020889)	Inhibition of Lck autophosphorylation using [33P]ATP by scintillation counting
50039626	4	ChEMBL_814176 (CHEMBL2020890)	Inhibition of Txk autophosphorylation using [33P]ATP by scintillation counting
50039627	1	ChEMBL_814181 (CHEMBL2020895)	Inhibition of human SIRT1 using Fluor-de-Lys as substrate
50039628	1	ChEMBL_814187 (CHEMBL2020901)	Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins
50039629	1	ChEMBL_814273 (CHEMBL2019370)	Inhibition of electric eel AChE by Ellman's method
50039630	1	ChEMBL_814277 (CHEMBL2019374)	Inhibition of PI3Kgamma by continuous read time resolved fluorescence resonance energy transfer displacement assay
50039630	2	ChEMBL_814276 (CHEMBL2019373)	Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay
50039630	3	ChEMBL_814278 (CHEMBL2019375)	Inhibition of PI3Kdelta by continuous read time resolved fluorescence resonance energy transfer displacement assay
50039630	4	ChEMBL_814280 (CHEMBL2019377)	Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins
50039630	5	ChEMBL_814275 (CHEMBL2019372)	Inhibition of PI3Kalpha by continuous read time resolved fluorescence resonance energy transfer displacement assay
50039630	6	ChEMBL_814282 (CHEMBL2019379)	Inhibition of mTOR
50039630	7	ChEMBL_814284 (CHEMBL2019381)	Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN wild type human HCC1954 cells
50039631	1	ChEMBL_814289 (CHEMBL2019386)	Displacement of [125-I]MCP1 from CCR2 on human PBMC
50039631	2	ChEMBL_814290 (CHEMBL2019387)	Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis
50039631	3	ChEMBL_814295 (CHEMBL2019392)	Antagonist activity at CCR2 in mouse monocytes assessed as inhibition of MCP1-induced chemotaxis
50039631	4	ChEMBL_814300 (CHEMBL2019397)	Binding affinity to mouse CCR5
50039632	1	ChEMBL_814309 (CHEMBL2019406)	Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay
50039632	2	ChEMBL_814310 (CHEMBL2019407)	Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay
50039633	1	ChEMBL_814314 (CHEMBL2019411)	Inhibition of ovine COX1 by fluorescence assay
50039633	2	ChEMBL_814315 (CHEMBL2019412)	Inhibition of human recombinant COX2 by fluorescence assay
50039634	1	ChEMBL_814327 (CHEMBL2019536)	Inhibition of PI3Kalpha using diC8-PI(4,5)P2 as substrate after 3 hrs by competitive fluorescence polarization assay
50001216	5	ChEMBL_1712580 (CHEMBL4122629)	Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluorescence assay
50039635	1	ChEMBL_814365 (CHEMBL2019574)	Inhibition of human Dnmt1 using oligonucleotide 2 as substrate after 5000 sec by micro plate reader based real-time break-light assay
50039636	1	ChEMBL_814371 (CHEMBL2019580)	Antagonist activity at rat bradykinin B1 receptor
50039636	2	ChEMBL_814368 (CHEMBL2019577)	Binding affinity to human bradykinin B1 receptor
50039637	1	ChEMBL_814388 (CHEMBL2019712)	Inhibition of human PDE9A2 catalytic domain (181 to 506) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting
50039637	2	ChEMBL_814385 (CHEMBL2019709)	Inhibition of human PDE4D2 catalytic domain (86 to 413) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting
50039637	3	ChEMBL_814386 (CHEMBL2019710)	Inhibition of human PDE4B2 catalytic domain and UCR2 (92 to 521) expressed in Escherichia coli BL21 using [3H]-cAMP/[3H]-cGMP after 15 mins by liquid scintillation counting
50039638	1	ChEMBL_814391 (CHEMBL2019715)	Inhibition of topoisomerase 2
50039639	1	ChEMBL_814419 (CHEMBL2019815)	Displacement of [3H]-cAMP from human recombinant PDE7A
50039639	2	ChEMBL_814420 (CHEMBL2019816)	Displacement of [3H]-cAMP from human recombinant PDE7B
50039640	1	ChEMBL_814450 (CHEMBL2019846)	Inhibition of human carbonic anhydrase 5b preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	2	ChEMBL_814442 (CHEMBL2019838)	Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	3	ChEMBL_814447 (CHEMBL2019843)	Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay
50039640	4	ChEMBL_814441 (CHEMBL2019837)	Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay
50039640	5	ChEMBL_814455 (CHEMBL2019851)	Inhibition of mouse carbonic anhydrase 15 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	6	ChEMBL_814440 (CHEMBL2019836)	Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	7	ChEMBL_814444 (CHEMBL2019840)	Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	8	ChEMBL_814446 (CHEMBL2019842)	Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	9	ChEMBL_814448 (CHEMBL2019844)	Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	10	ChEMBL_814449 (CHEMBL2019845)	Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	11	ChEMBL_814451 (CHEMBL2019847)	Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	12	ChEMBL_814452 (CHEMBL2019848)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	13	ChEMBL_814453 (CHEMBL2019849)	Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	14	ChEMBL_814454 (CHEMBL2019850)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	15	ChEMBL_814456 (CHEMBL2019852)	Inhibition of human carbonic anhydrase 5a preincubated for 15 mins by stopped flow CO2 hydration assay
50039640	16	ChEMBL_814443 (CHEMBL2019839)	Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay
50039640	17	ChEMBL_814445 (CHEMBL2019841)	Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay
50039641	1	ChEMBL_814483 (CHEMBL2021002)	Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay
50039641	2	ChEMBL_814499 (CHEMBL2021018)	Inhibition of human ERG
50039641	3	ChEMBL_814484 (CHEMBL2021003)	Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate production by IP3-SPA-YSI assay
50039642	1	ChEMBL_814571 (CHEMBL2021090)	Inhibition of CETP in human plasma assessed as reduction in fluorescent intensity by fluorescence analysis
50039643	1	ChEMBL_814585 (CHEMBL2021104)	Inhibition of human ERG
50039644	1	ChEMBL_814588 (CHEMBL2021107)	Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay
50039644	2	ChEMBL_814589 (CHEMBL2021108)	Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated for 10 mins prior MCH peptide-stimulation measured after 45 mins by IP3-SPA-YSI assay
50039644	3	ChEMBL_814592 (CHEMBL2021111)	Inhibition of human ERG expressed in HEK293 cells by voltage clamp electrophysiology assay
50039645	1	ChEMBL_814660 (CHEMBL2021179)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulation after 2 hrs by scintillation counting
50039646	1	ChEMBL_814690 (CHEMBL2021209)	Inhibition of human recombinant 17-beta-HSD3 expressed in human HeLa cells using androstenedione as substrate preincubated for 30 mins prior substrate addition measured after 120 mins by spectrophotometry
50039647	1	ChEMBL_814715 (CHEMBL2021234)	Inhibition of mouse wild type PI3Kalpha expressed in Sf21 cells co-expressing N-terminal His-tagged human p85a using L-alpha-phosphatidylinositol substrate by TLC based phosphor imaging
50039647	2	ChEMBL_814716 (CHEMBL2021235)	Inhibition of human wild type PI3Kbeta expressed in Sf21 cells co-expressing N-terminal His-tagged human p85a using L-alpha-phosphatidylinositol substrate by TLC based phosphor imaging
50039647	3	ChEMBL_814717 (CHEMBL2021236)	Inhibition of PI3Kdelta expressed in cells co-expressing N-terminal His-tagged human p85a using L-alpha-phosphatidylinositol substrate by TLC based phosphor imaging
50039648	1	ChEMBL_815664 (CHEMBL2025594)	Activation of human recombinant glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH assessed as glucose 6-phosphate formation by spectrometric analysis
50039649	1	ChEMBL_815843 (CHEMBL2026106)	Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by FLIPR analysis
50039649	2	ChEMBL_815844 (CHEMBL2026107)	Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by FLIPR analysis relative to control
50039649	3	ChEMBL_815845 (CHEMBL2026108)	Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M1 receptor expressed in CHO cell membrane
50039649	4	ChEMBL_815846 (CHEMBL2026109)	Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M2 receptor expressed in CHO cell membrane
50039649	5	ChEMBL_815847 (CHEMBL2026110)	Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M3 receptor expressed in CHO cell membrane
50039650	1	ChEMBL_816181 (CHEMBL2026565)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50001216	6	ChEMBL_1712608 (CHEMBL4122657)	Inhibition of CYP1A2 (unknown origin)
50001216	7	ChEMBL_1712609 (CHEMBL4122658)	Inhibition of CYP2A6 (unknown origin)
50039650	4	ChEMBL_816187 (CHEMBL2026571)	Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50001216	8	ChEMBL_1712610 (CHEMBL4122659)	Inhibition of CYP2B6 (unknown origin)
50001216	9	ChEMBL_1712612 (CHEMBL4122661)	Inhibition of CYP2C9 (unknown origin)
50039650	6	ChEMBL_816191 (CHEMBL2026575)	Partial agonist activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as [35S]GTP-gamma-S binding after 3 hrs by liquid scintillation counting
50001216	10	ChEMBL_1712613 (CHEMBL4122662)	Inhibition of CYP2C19 (unknown origin)
50001216	11	ChEMBL_1712614 (CHEMBL4122663)	Inhibition of CYP2E1 (unknown origin)
50001216	12	ChEMBL_1712615 (CHEMBL4122664)	Inhibition of CYP3A4/5 (unknown origin)
50001217	1	ChEMBL_1712639 (CHEMBL4122688)	Agonist activity at human 5-HT1A receptor expressed in HEK293 cells after 60 mins by Eu-cAMP solution based ultra LANCE assay
50001217	2	ChEMBL_1712640 (CHEMBL4122689)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 20 mins by by Ellman's method
50039651	1	ChEMBL_816365 (CHEMBL2024763)	Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay
50039651	2	ChEMBL_816364 (CHEMBL2024762)	Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay
50039652	1	ChEMBL_816380 (CHEMBL2024778)	Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells
50001217	3	ChEMBL_1712641 (CHEMBL4122690)	Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate after 20 mins by by Ellman's method
50001217	4	ChEMBL_1712642 (CHEMBL4122691)	Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT uptake incubated for 30 mins
50039652	4	ChEMBL_816384 (CHEMBL2024782)	Inhibition of CYP3A4
50039652	5	ChEMBL_816393 (CHEMBL2024791)	Inhibition of human Erg by patch clamp assay in absence of plasma protein
50039652	6	ChEMBL_816423 (CHEMBL2024910)	Inhibition of JAK3 by TR-FRET assay
50039652	8	ChEMBL_816410 (CHEMBL2024897)	Inhibition of Aurora A by TR-FRET assay
50039652	9	ChEMBL_816411 (CHEMBL2024898)	Inhibition of Flt1 by TR-FRET assay
50039652	10	ChEMBL_816412 (CHEMBL2024899)	Inhibition of PDGFRbeta by TR-FRET assay
50039652	11	ChEMBL_816413 (CHEMBL2024900)	Inhibition of CSF1R by TR-FRET assay
50039652	12	ChEMBL_816414 (CHEMBL2024901)	Inhibition of LCK by TR-FRET assay
50039652	13	ChEMBL_816415 (CHEMBL2024902)	Inhibition of ABL by TR-FRET assay
50039652	14	ChEMBL_816416 (CHEMBL2024903)	Inhibition of RET by TR-FRET assay
50039652	15	ChEMBL_816417 (CHEMBL2024904)	Inhibition of FYN by TR-FRET assay
50039652	16	ChEMBL_816418 (CHEMBL2024905)	Inhibition of FGFR1 by TR-FRET assay
50039652	17	ChEMBL_816419 (CHEMBL2024906)	Inhibition of ALK by TR-FRET assay
50039652	18	ChEMBL_816420 (CHEMBL2024907)	Inhibition of ROCK1 by TR-FRET assay
50039652	19	ChEMBL_816421 (CHEMBL2024908)	Inhibition of IGF1R by TR-FRET assay
50039652	20	ChEMBL_816422 (CHEMBL2024909)	Inhibition of JAK2 by TR-FRET assay
50039652	21	ChEMBL_816424 (CHEMBL2024911)	Inhibition of CDK9 by TR-FRET assay
50039652	22	ChEMBL_816425 (CHEMBL2024912)	Inhibition of GSK3alpha by TR-FRET assay
50039653	1	ChEMBL_816569 (CHEMBL2025283)	Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosine aminotransferase
50039653	2	ChEMBL_816575 (CHEMBL2025289)	Transactivation activity at human glucocorticoid receptor in cells co-expressing GRE by luciferase reporter gene assay
50039653	3	ChEMBL_816568 (CHEMBL2025282)	Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-induced IL8 production
50039653	4	ChEMBL_816574 (CHEMBL2025288)	Inhibition of human glucocorticoid receptor
50039653	5	ChEMBL_816570 (CHEMBL2025284)	Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine aminotransferase
50039654	1	ChEMBL_816614 (CHEMBL2025328)	Inhibition of human ERG by electrophysiology assay
50039654	2	ChEMBL_816615 (CHEMBL2025329)	Agonist activity at MT1
50039654	3	ChEMBL_816617 (CHEMBL2025331)	Inhibition of 5HT2B
50039654	4	ChEMBL_816582 (CHEMBL2025296)	Positive allosteric modulation of human mGlu4 receptor expressed in BHK cells assessed as potentiation of glutamate-induced calcium mobilization by FLIPR analysis
50039655	1	ChEMBL_816635 (CHEMBL2025510)	Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells
50039655	2	ChEMBL_816636 (CHEMBL2025511)	Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concentration
50039655	3	ChEMBL_816637 (CHEMBL2025512)	Antagonist activity at CRTH2 receptor in human Th2 cells assessed as inhibition of PGD2-induced chemotaxis after 1 hr by hemocytometry
50039655	4	ChEMBL_816638 (CHEMBL2025513)	Inhibition of DP1 prostanoid receptor
50039655	5	ChEMBL_816639 (CHEMBL2025514)	Inhibition of COX-1
50039655	6	ChEMBL_816640 (CHEMBL2025515)	Inhibition of COX-2
50039656	1	ChEMBL_816768 (CHEMBL2025880)	Inhibition of electric eel AChE using acetylcholine as substrate by Ellman's method
50039656	2	ChEMBL_816769 (CHEMBL2025881)	Inhibition of equine serum BuChE using butyrylcholine as substrate by Ellman's method
50039657	1	ChEMBL_816823 (CHEMBL2026015)	Inhibition of human ERG
50039657	2	ChEMBL_816820 (CHEMBL2026012)	Inhibition of DPP9
50039657	3	ChEMBL_816819 (CHEMBL2026011)	Inhibition of DPP8
50039657	4	ChEMBL_816818 (CHEMBL2026010)	Inhibition of human DPP4 after 10 mins
50039658	1	ChEMBL_817178 (CHEMBL2025789)	Inhibition of rat ap2 by fluorescent 1,8-anilino-8-naphthalene sulfonate assay
50039659	1	ChEMBL_817315 (CHEMBL2025940)	Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis
50039659	2	ChEMBL_817316 (CHEMBL2025941)	Inhibition of human pancreatic lipase using p-nitrophenylbutyrate as substrate by Dixon plot analysis
50039660	1	ChEMBL_817327 (CHEMBL2026295)	Inhibition of bovine xanthine oxidase assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis
50039661	1	ChEMBL_817362 (CHEMBL2027585)	Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli using trans-2-dodecenoyl-coenzyme-A as substrate
50039662	1	ChEMBL_817534 (CHEMBL2027757)	Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins
50039662	2	ChEMBL_817533 (CHEMBL2027756)	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins
50039663	1	ChEMBL_817708 (CHEMBL2027356)	Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
50039663	2	ChEMBL_817709 (CHEMBL2027357)	Agonist activity at human S1P3 receptor by [S35]GTPgammaS binding assay
50039664	1	ChEMBL_817750 (CHEMBL2027398)	Agonist activity at mouse BRS3 expressed in human HEK293AEQ cells measured for 10 mins by aequorin bioluminescence assay
50039664	2	ChEMBL_817747 (CHEMBL2027395)	Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting
50039664	3	ChEMBL_817748 (CHEMBL2027396)	Agonist activity at human BRS3 expressed in human HEK293AEQ cells measured for 10 mins by aequorin bioluminescence assay
50039665	1	ChEMBL_817757 (CHEMBL2027405)	Inhibition of PDGFRbeta
50039665	2	ChEMBL_814803 (CHEMBL2026428)	Inhibition of Flt3
50039665	3	ChEMBL_817758 (CHEMBL2027406)	Inhibition of KDR
50039665	4	ChEMBL_814823 (CHEMBL2026448)	Inhibition of CYP2C9
50039665	5	ChEMBL_814824 (CHEMBL2026449)	Inhibition of CYP2D6
50039665	6	ChEMBL_814825 (CHEMBL2026450)	Inhibition of CYP3A4
50039665	7	ChEMBL_814831 (CHEMBL2026456)	Inhibition of PDGFRalpha
50039665	8	ChEMBL_814820 (CHEMBL2026445)	Inhibition of human ERG
50039665	9	ChEMBL_817759 (CHEMBL2027407)	Inhibition of CSF-1R
50039665	10	ChEMBL_814821 (CHEMBL2026446)	Inhibition of CYP1A2
50039665	11	ChEMBL_814822 (CHEMBL2026447)	Inhibition of CYP2C19
50039666	1	ChEMBL_814866 (CHEMBL2026608)	Non-competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50039666	2	ChEMBL_814864 (CHEMBL2026606)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method
50039666	3	ChEMBL_814863 (CHEMBL2026605)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate by Ellman's method
50039666	4	ChEMBL_815077 (CHEMBL2024802)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50039666	5	ChEMBL_814868 (CHEMBL2026610)	Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintillation counting
50039666	6	ChEMBL_814867 (CHEMBL2026609)	Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation counting
50039666	7	ChEMBL_815076 (CHEMBL2024801)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method
50039666	8	ChEMBL_815074 (CHEMBL2024799)	Competitive inhibition of equine serum BChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50039667	1	ChEMBL_815080 (CHEMBL2024805)	Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay
50039667	2	ChEMBL_815104 (CHEMBL2024829)	Inhibition of CYP1A2
50039667	3	ChEMBL_815103 (CHEMBL2024828)	Inhibition of CYP2C9
50039667	4	ChEMBL_815101 (CHEMBL2024826)	Inhibition of CYP2C19
50039667	5	ChEMBL_815102 (CHEMBL2024827)	Inhibition of CYP2D6
50039667	6	ChEMBL_815100 (CHEMBL2024825)	Inhibition of CYP3A4 using diethoxyfluorescein as substrate
50039667	7	ChEMBL_815099 (CHEMBL2024824)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate
50039667	8	ChEMBL_815097 (CHEMBL2024822)	Antagonist activity at alpha4beta2 nAChR
50039667	9	ChEMBL_815098 (CHEMBL2024823)	Antagonist activity at alpha1 nAChR
50039667	10	ChEMBL_815108 (CHEMBL2024833)	Inhibition of human ERG by electrophysiology assay
50039668	1	ChEMBL_815109 (CHEMBL2024834)	Inhibition of aurora A kinase using 5TAMRA-GRTGRRNSICOOH as substrate by fluorescent assay
50039668	3	ChEMBL_815116 (CHEMBL2024841)	Inhibition of RSK2
50039668	5	ChEMBL_815112 (CHEMBL2024837)	Inhibition of VEGFR2
50039668	6	ChEMBL_815115 (CHEMBL2024840)	Inhibition of IRAK4
50001218	1	ChEMBL_1712683 (CHEMBL4122732)	Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by electrochemiluminescence assay
50039668	7	ChEMBL_815113 (CHEMBL2024838)	Inhibition of LCK
50001218	2	ChEMBL_1712698 (CHEMBL4122747)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis
50001218	3	ChEMBL_1712697 (CHEMBL4122746)	Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50001218	4	ChEMBL_1712696 (CHEMBL4122745)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis
50001218	5	ChEMBL_1712695 (CHEMBL4122744)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis
50001218	6	ChEMBL_1712694 (CHEMBL4122743)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50001218	7	ChEMBL_1712686 (CHEMBL4122735)	Modulation of gamma-secretase in human E6 cells expressing HeLaTetON-NotchdeltaE-NLuc/CLuc-RBP assessed as notch cleavage after 16 hrs by bioluminescence assay
50001219	1	ChEMBL_1712725 (CHEMBL4122774)	Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-N-acetylcysteamine as substrate preincubated for 1 hr followed by substrate addition measured every 30 secs for 5 mins
50039669	1	ChEMBL_815356 (CHEMBL2026860)	Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay
50039669	2	ChEMBL_815361 (CHEMBL2026865)	Inhibition of human ERG
50039669	3	ChEMBL_815368 (CHEMBL2026872)	Inhibition of CYP1A2
50039669	4	ChEMBL_815369 (CHEMBL2026873)	Inhibition of CYP2C9
50039669	5	ChEMBL_815370 (CHEMBL2026874)	Inhibition of CYP2C19
50039669	6	ChEMBL_815371 (CHEMBL2026875)	Inhibition of CYP2D6
50039669	7	ChEMBL_815372 (CHEMBL2026876)	Inhibition of CYP3A4 using diethoxyfluorescein as substrate
50039669	8	ChEMBL_815373 (CHEMBL2026877)	Inhibition of CYP3A4 using 7-benzyloxyquinoline as substrate
50039669	9	ChEMBL_815374 (CHEMBL2026878)	Antagonist activity at alpha1 nAChR
50039669	10	ChEMBL_815352 (CHEMBL2026856)	Inhibition of human ERG by electrophysiology assay
50039669	11	ChEMBL_815351 (CHEMBL2026855)	Binding affinity to human ERG
50039669	12	ChEMBL_815375 (CHEMBL2026879)	Antagonist activity at alpha4beta2 nAChR
50039670	1	ChEMBL_815395 (CHEMBL2027047)	Displacement of [3H]-AD-5061 from human GST-tagged PPARgamma
50039670	2	ChEMBL_815388 (CHEMBL2026892)	Transactivation of human PPARgamma1 expressed in CHO-K1 cells co-expressing RXRalpha and PPRE after 1 day by luciferase reporter gene assay
50039670	3	ChEMBL_815389 (CHEMBL2026893)	Transactivation of human PPARalpha expressed in african green monkey COS1 cells after 1 day by luciferase reporter gene assay
50039670	4	ChEMBL_815390 (CHEMBL2027042)	Transactivation of human PPARdelta expressed in african green monkey COS1 cells after 1 day by luciferase reporter gene assay
50039671	1	ChEMBL_815401 (CHEMBL2027053)	Inhibition of acrosin in human spermatozoa assessed as effect on amidase activity after 3 hrs incubation by spectrophotometry
50039672	1	ChEMBL_815413 (CHEMBL2027065)	Inhibition of p53 derived peptide binding to MDM4 using fluorescent dye Cy5 by TR-FRET assay
50039673	1	ChEMBL_815533 (CHEMBL2025062)	Agonist activity at human muscarinic M1 receptor by calcium mobilization assay
50039673	2	ChEMBL_815523 (CHEMBL2025052)	Agonist activity at human muscarinic M1 receptor
50039673	3	ChEMBL_815543 (CHEMBL2025072)	Agonist activity at human muscarinic M4 receptor by calcium mobilization assay
50039673	4	ChEMBL_815547 (CHEMBL2025076)	Agonist activity at human muscarinic M5 receptor by calcium mobilization assay
50039673	5	ChEMBL_815535 (CHEMBL2025064)	Agonist activity at human muscarinic M2 receptor by calcium mobilization assay
50039673	6	ChEMBL_815545 (CHEMBL2025074)	Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay
50039673	7	ChEMBL_815549 (CHEMBL2025078)	Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay
50039673	8	ChEMBL_815537 (CHEMBL2025066)	Agonist activity at human muscarinic M3 receptor by calcium mobilization assay
50039673	9	ChEMBL_815538 (CHEMBL2025067)	Antagonist activity at human muscarinic M2 receptor by calcium mobilization assay
50039673	10	ChEMBL_815541 (CHEMBL2025070)	Antagonist activity at human muscarinic M3 receptor by calcium mobilization assay
50039674	1	ChEMBL_815559 (CHEMBL2025088)	Inhibition of recombinant AKR1C4 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay
50039674	2	ChEMBL_815555 (CHEMBL2025084)	Inhibition of recombinant AKR1C3 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay
50039674	3	ChEMBL_815556 (CHEMBL2025085)	Antagonist activity at androgen receptor expressed in HeLa-AR3A-PSA-(ARE)4-Luc13 cells assessed as rightward shift of DHT-induced response incubated for 20 hrs at 37 degC by luciferase reporter gene assay
50039674	4	ChEMBL_815557 (CHEMBL2025086)	Inhibition of recombinant AKR1C1 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay
50039674	5	ChEMBL_815558 (CHEMBL2025087)	Inhibition of recombinant AKR1C2 assessed as enzyme catalyzed oxidation of S-tetralol by fluorimetric assay
50039674	6	ChEMBL_815552 (CHEMBL2025081)	Inhibition of recombinant COX1
50039674	7	ChEMBL_815553 (CHEMBL2025082)	Inhibition of recombinant COX2
50039675	1	ChEMBL_816069 (CHEMBL2026918)	Displacement of [3H](+)pentazocine from sigma-1 receptor expressed in human Jurkat cell membranes after 2 hrs by liquid scintillation spectroscopy
50039676	1	ChEMBL_817251 (CHEMBL2025551)	Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry
50039677	1	ChEMBL_817254 (CHEMBL2025554)	Inhibition of COX2 by fluorescence assay
50039678	1	ChEMBL_815719 (CHEMBL2025719)	Inhibition of ovine COX1 by enzyme immuno assay
50039678	2	ChEMBL_815720 (CHEMBL2025720)	Inhibition of ovine COX2 by enzyme immuno assay
50039679	3	ChEMBL_816450 (CHEMBL2024937)	Binding affinity to His6-tagged recombinant human p70S6K by fluorescence anisotropy assay
50001220	1	ChEMBL_1712738 (CHEMBL4122787)	Inhibition of Influenza A H1N1 virus neuraminidase activity preincubated for 2 mins followed by MUNANA substrate addition measured after 30 mins by fluorescence enzyme immunoassay
50039679	5	ChEMBL_816449 (CHEMBL2024936)	Binding affinity to His6-tagged recombinant human MSK1 by fluorescence anisotropy assay
50039679	7	ChEMBL_816455 (CHEMBL2024942)	Binding affinity to His6-tagged recombinant human ROCK1 by fluorescence anisotropy assay
50039679	8	ChEMBL_816457 (CHEMBL2024944)	Binding affinity to SGK1 by fluorescence anisotropy assay
50001221	1	ChEMBL_1712748 (CHEMBL4122797)	Inhibition of full length recombinant His6-tagged human PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50039680	1	ChEMBL_816251 (CHEMBL2026776)	Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifearase reporter gene assay
50039681	1	ChEMBL_816257 (CHEMBL2026782)	Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50039681	2	ChEMBL_816256 (CHEMBL2026781)	Inhibition of human recombinant PREP expressed in Escherichia coli assessed as pNA release from Z-Gly-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique
50039681	3	ChEMBL_816255 (CHEMBL2026780)	Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique
50039681	4	ChEMBL_816258 (CHEMBL2026783)	Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50039682	1	ChEMBL_816260 (CHEMBL2026785)	Inhibition of kynurenine-3-hydroxylase in rat liver homogenates assessed as effect on production of 3-hydroxy kynurenine incubated for 1 hr by HPLC
50039683	1	ChEMBL_816869 (CHEMBL2026140)	Binding affinity to human dopamine D3 receptor
50039683	2	ChEMBL_816870 (CHEMBL2026141)	Binding affinity to human dopamine D2L receptor
50039683	3	ChEMBL_816871 (CHEMBL2026142)	Binding affinity to human dopamine D2S receptor
50039683	4	ChEMBL_816874 (CHEMBL2026145)	Binding affinity to rat dopamine D1 receptor
50039683	5	ChEMBL_816875 (CHEMBL2026146)	Binding affinity to human dopamine D1 receptor
50039683	6	ChEMBL_816877 (CHEMBL2026148)	Binding affinity to human dopamine D5 receptor
50039683	7	ChEMBL_816863 (CHEMBL2026134)	Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells
50039683	8	ChEMBL_816864 (CHEMBL2026135)	Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes
50039684	1	ChEMBL_816892 (CHEMBL2026163)	Inhibition of Des1 in human A549 cells assessed as formation of CerC6NBD from dhCerC6NBD after 4 hrs by HPLC-FD analysis
50039684	2	ChEMBL_816893 (CHEMBL2026164)	Inhibition of Des1 in human HCT116 cells assessed as formation of CerC6NBD from dhCerC6NBD after 4 hrs by HPLC-FD analysis
50039684	3	ChEMBL_816888 (CHEMBL2026159)	Inhibition of aCDase in Moh.pAS AcCer10X cells using RBM14C12 as substrate after 1 hr by HPLC-FD analysis
50039684	4	ChEMBL_816889 (CHEMBL2026160)	Inhibition of aCDase using RBM14C12 as substrate after 1 hr by HPLC-FD analysis
50039685	1	ChEMBL_815895 (CHEMBL2026330)	Inhibition of ALK5
50039685	2	ChEMBL_815896 (CHEMBL2026331)	Inhibition of ALK4
50039685	3	ChEMBL_815897 (CHEMBL2026332)	Inhibition of ALK1
50039685	4	ChEMBL_815898 (CHEMBL2026333)	Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based assay
50039686	1	ChEMBL_817373 (CHEMBL2027596)	Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay
50039686	2	ChEMBL_817374 (CHEMBL2027597)	Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay
50039686	3	ChEMBL_817375 (CHEMBL2027598)	Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting
50039687	1	ChEMBL_817424 (CHEMBL2027647)	Inhibition of CYP3A4 using testosterone as substrate in human liver microsome for 20 mins by HPLC analysis
50039687	2	ChEMBL_817423 (CHEMBL2027646)	Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassay
50039687	3	ChEMBL_817422 (CHEMBL2027645)	Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Asn-OH as substrate assessed as formation of angiotensin1 product after 2 hrs by competive radioimmunoassay
50039687	4	ChEMBL_817421 (CHEMBL2027644)	Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetry
50039688	1	ChEMBL_817605 (CHEMBL2027253)	Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis
50039688	2	ChEMBL_817606 (CHEMBL2027254)	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by Lineweaver-Burk plot analysis
50039688	3	ChEMBL_817595 (CHEMBL2027818)	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupled-assay in presence of Escherichia coli MenE preincubated for 1 hr
50039688	4	ChEMBL_817596 (CHEMBL2027819)	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupled-assay in presence of Escherichia coli MenE
50039689	1	ChEMBL_817607 (CHEMBL2027255)	Inhibition of p38alpha kinase using KRELVEPLTPSGEAPNQALLR as substrate for 20 mins by lactate dehydrogenase-coupled spectrophotometric assay
50039689	2	ChEMBL_817608 (CHEMBL2027256)	Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA
50039689	3	ChEMBL_817609 (CHEMBL2027257)	Inhibition of p38alpha in human PBMC assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA
50039689	4	ChEMBL_817831 (CHEMBL2027479)	Inhibition of Akt3 by filter binding assay
50039689	5	ChEMBL_817832 (CHEMBL2027480)	Inhibition of CDK2 by filter binding assay
50039689	6	ChEMBL_817833 (CHEMBL2027481)	Inhibition of Erk2 by filter binding assay
50039689	7	ChEMBL_817835 (CHEMBL2027483)	Inhibition of IGF1R by filter binding assay
50039689	8	ChEMBL_817836 (CHEMBL2027484)	Inhibition of ITK by filter binding assay
50039689	9	ChEMBL_817837 (CHEMBL2027485)	Inhibition of JNK3 by filter binding assay
50039689	10	ChEMBL_814869 (CHEMBL2026611)	Inhibition of KDR by filter binding assay
50039689	11	ChEMBL_814870 (CHEMBL2026612)	Inhibition of MK2 by filter binding assay
50039689	12	ChEMBL_814871 (CHEMBL2026613)	Inhibition of PIM1 by filter binding assay
50039689	13	ChEMBL_814873 (CHEMBL2026615)	Inhibition of ROCK1 by filter binding assay
50039689	14	ChEMBL_814874 (CHEMBL2026616)	Inhibition of SRC by filter binding assay
50039689	15	ChEMBL_814875 (CHEMBL2026617)	Inhibition of SYK by filter binding assay
50039689	16	ChEMBL_814876 (CHEMBL2026618)	Inhibition of ZAP70 by filter binding assay
50039689	17	ChEMBL_817829 (CHEMBL2027477)	Inhibition of p38alpha kinase
50039689	18	ChEMBL_817830 (CHEMBL2027478)	Inhibition of p38beta kinase
50039689	19	ChEMBL_817610 (CHEMBL2027258)	Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced IL1beta production after 16 to 18 hrs by ELISA
50039689	20	ChEMBL_817611 (CHEMBL2027259)	Inhibition of p38alpha in human whole blood assessed as inhibition of LPS-induced TNFalpha production after 16 to 18 hrs by ELISA
50039689	21	ChEMBL_817613 (CHEMBL2027261)	Inhibition of p38beta using KRELVEPLTPSGEAPNQALLR as substrate for 10 mins by lactate dehydrogenase-coupled spectrophotometric assay
50039689	22	ChEMBL_817816 (CHEMBL2027464)	Inhibition of human CYP3A4
50039689	23	ChEMBL_817817 (CHEMBL2027465)	Inhibition of human CYP2D6
50039689	24	ChEMBL_817818 (CHEMBL2027466)	Inhibition of human CYP2C19
50039689	25	ChEMBL_817819 (CHEMBL2027467)	Inhibition of human CYP2C9
50039689	26	ChEMBL_817820 (CHEMBL2027468)	Inhibition of human CYP1A2
50039690	1	ChEMBL_814877 (CHEMBL2026619)	Inhibition of human 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone as substrate by scintillation proximity assay
50039690	2	ChEMBL_814878 (CHEMBL2026620)	Inhibition of human 11beta-HSD1 expressed in CHO cells
50039690	3	ChEMBL_814879 (CHEMBL2026621)	Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone as substrate by scintillation proximity assay
50039691	1	ChEMBL_815177 (CHEMBL2025194)	Antagonist activity at human mGluR5 expressed in CHO-K1 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization
50039692	1	ChEMBL_815179 (CHEMBL2025196)	Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accumulation after 1 hr by fluorescence assay
50039692	2	ChEMBL_815180 (CHEMBL2025197)	Antagonist activity at human alpha3beta4 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accumulation after 1 hr by fluorescence assay
50039693	1	ChEMBL_815417 (CHEMBL2027069)	Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50039694	1	ChEMBL_815422 (CHEMBL2027074)	Inhibition of rat His6-tagged Hao2 expressed in Escherichia coli BL21/DE3 using 2-hydroxyoctanoic acid as substrate measured every 10 secs by spectrophotometry
50039694	2	ChEMBL_815423 (CHEMBL2027075)	Inhibition of rat His6-tagged Hao1 expressed in Escherichia coli BL21/DE3 using glcolic acid as substrate measured every 10 secs by spectrophotometry
50039694	3	ChEMBL_815426 (CHEMBL2027078)	Inhibition of CYP3A4
50039694	4	ChEMBL_815427 (CHEMBL2027079)	Inhibition of CYP2C9
50039694	5	ChEMBL_815428 (CHEMBL2027080)	Inhibition of CYP2D6
50039694	6	ChEMBL_815429 (CHEMBL2027081)	Inhibition of CYP2C19
50039694	7	ChEMBL_815430 (CHEMBL2027082)	Inhibition of CYP1A2
50039695	2	ChEMBL_815463 (CHEMBL2027231)	Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis
50039695	3	ChEMBL_815465 (CHEMBL2027233)	Inhibition of Mer kinase
50039695	5	ChEMBL_815468 (CHEMBL2027236)	Inhibition of AXL-mediated AKT Ser473 phosphorylation in human PSN1 cells assessed as decrease in GAS6-induced phospho-AKT level after 2 hrs by ELISA
50039695	6	ChEMBL_815592 (CHEMBL2025258)	Inhibition of Aurora A
50039696	1	ChEMBL_815596 (CHEMBL2025262)	Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay
50039696	2	ChEMBL_815599 (CHEMBL2025265)	Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay
50039696	3	ChEMBL_815602 (CHEMBL2025268)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as calcium flux measured every sec for 3 mins by FLIPR assay
50039697	1	ChEMBL_815757 (CHEMBL2025841)	Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by fluorescent polarization assay
50039697	2	ChEMBL_815758 (CHEMBL2025842)	Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay
50039697	3	ChEMBL_815759 (CHEMBL2025843)	Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay
50039698	1	ChEMBL_815799 (CHEMBL2025966)	Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincubated for 10 mins prior to carbamylcholine-induction measured after 5 mins by flip-plate technique
50039698	2	ChEMBL_815796 (CHEMBL2025963)	Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique
50039699	1	ChEMBL_816147 (CHEMBL2024713)	Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay
50039700	1	ChEMBL_816162 (CHEMBL2024728)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting
50039700	2	ChEMBL_816161 (CHEMBL2024727)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50039700	3	ChEMBL_816304 (CHEMBL2026980)	Inhibition of adenosine A2B receptor
50039701	1	ChEMBL_816306 (CHEMBL2026982)	Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric analysis
50039701	2	ChEMBL_816305 (CHEMBL2026981)	Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetric analysis
50039702	1	ChEMBL_816330 (CHEMBL2027152)	Agonist activity at human GR40 receptor expressed in CHO cells assessed as increase in intracellular calcium concentration after 90 secs by FLIPR assay in presence of 0.1% BSA
50039702	2	ChEMBL_816332 (CHEMBL2027154)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO cells after 90 mins by scintillation counting in presence of 0.2% BSA
50039702	3	ChEMBL_816331 (CHEMBL2027153)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CHO cells after 90 mins by scintillation counting in presence of 0.2% BSA
50039703	1	ChEMBL_816515 (CHEMBL2025095)	Inhibition of human ERG
50039703	2	ChEMBL_816345 (CHEMBL2024743)	Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction in basal ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay
50039703	3	ChEMBL_816517 (CHEMBL2025097)	Inhibition of CYP1A2
50039703	4	ChEMBL_816518 (CHEMBL2025098)	Inhibition of CYP2C9
50039703	5	ChEMBL_816519 (CHEMBL2025099)	Inhibition of CYP2C19
50039703	6	ChEMBL_816520 (CHEMBL2025100)	Inhibition of CYP2D6
50039703	7	ChEMBL_816342 (CHEMBL2027164)	Inhibition of CYP3A4
50039703	8	ChEMBL_816346 (CHEMBL2024744)	Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction of MT-stimulated ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay
50039704	1	ChEMBL_816539 (CHEMBL2025119)	Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP
50039705	1	ChEMBL_816567 (CHEMBL2025281)	Inhibition of HDAC8 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis
50039705	2	ChEMBL_816566 (CHEMBL2025280)	Inhibition of HDAC6 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis
50039705	3	ChEMBL_816565 (CHEMBL2025279)	Inhibition of HDAC1 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis
50039706	1	ChEMBL_816744 (CHEMBL2025773)	Inhibition of human N-terminal GST-fused IGF1R cytoplasmic domain (960 to 1367) expressed in Hi5 cells using Biotin- Ahx- EEEEAYGWLDF-OH as substrate after 90 mins by TR-FRET assay
50039706	2	ChEMBL_816743 (CHEMBL2025772)	Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620) expressed in SF9 cells using Biotin-Ahx- EQEDEPEGIYGVLF-OH as substrate after 90 mins by TR-FRET assay
50039706	3	ChEMBL_816745 (CHEMBL2025774)	Inhibition of ALK phosphorylation in human Karpas-299 cells after 1 hr
50039707	1	ChEMBL_816758 (CHEMBL2025870)	Competitive inhibition of PNP in human Jurkat cells using MSEG as substrate by Dixon-plot analysis
50039707	2	ChEMBL_816756 (CHEMBL2025868)	Competitive inhibition of PNP in human PBMC using MSEG as substrate by Dixon-plot analysis
50039707	3	ChEMBL_816757 (CHEMBL2025869)	Competitive inhibition of human recombinant PNP using MSEG as substrate by Dixon-plot analysis
50039707	4	ChEMBL_816759 (CHEMBL2025871)	Competitive inhibition of PNP in human K562 cells using MSEG as substrate by Dixon-plot analysis
50039707	5	ChEMBL_816760 (CHEMBL2025872)	Competitive inhibition of PNP in human DoHH2 cells using MSEG as substrate by Dixon-plot analysis
50039707	6	ChEMBL_816761 (CHEMBL2025873)	Competitive inhibition of PNP in human MINO cells using MSEG as substrate by Dixon-plot analysis
50039707	7	ChEMBL_816762 (CHEMBL2025874)	Competitive inhibition of PNP in human MC116 cells using MSEG as substrate by Dixon-plot analysis
50039707	8	ChEMBL_816763 (CHEMBL2025875)	Competitive inhibition of PNP in human SU-DHL-1 cells using MSEG as substrate by Dixon-plot analysis
50039707	9	ChEMBL_816900 (CHEMBL2026171)	Competitive inhibition of PNP in human RPMI8226 cells using MSEG as substrate by Dixon-plot analysis
50039707	10	ChEMBL_816901 (CHEMBL2026172)	Competitive inhibition of PNP in human OPM2 cells using MSEG as substrate by Dixon-plot analysis
50039707	11	ChEMBL_816902 (CHEMBL2026173)	Competitive inhibition of PNP in human HBL2 cells using MSEG as substrate by Dixon-plot analysis
50039707	12	ChEMBL_816903 (CHEMBL2026246)	Competitive inhibition of PNP in human HBL2 tumor cells using MSEG as substrate by Dixon-plot analysis
50039707	13	ChEMBL_816904 (CHEMBL2026247)	Competitive inhibition of PNP in human CML cells obtained from patients using MSEG as substrate by Dixon-plot analysis
50039707	14	ChEMBL_816905 (CHEMBL2026248)	Competitive inhibition of PNP in human AML cells obtained from patients using MSEG as substrate by Dixon-plot analysis
50039707	15	ChEMBL_816908 (CHEMBL2026251)	Inhibition of human recombinant PNP using MSEG as substrate preincubated with inhibitor within 10 to 20 mins measured after 5 mins by HPLC analysis
50039708	1	ChEMBL_816923 (CHEMBL2026266)	Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed in insect Sf9 cells after 60 mins by liquid scintillation counting
50039708	2	ChEMBL_816922 (CHEMBL2026265)	Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50039708	3	ChEMBL_816924 (CHEMBL2026267)	Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50039708	4	ChEMBL_816921 (CHEMBL2026264)	Displacement of [3H]-MK-912 from human cloned adrenergic alpha2A receptor expressed in insect Sf9 membranes after 60 mins by liquid scintillation counting
50039709	1	ChEMBL_817306 (CHEMBL2025931)	Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay
50039709	2	ChEMBL_817305 (CHEMBL2025930)	Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay
50039710	1	ChEMBL_817309 (CHEMBL2025934)	Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50039710	2	ChEMBL_817438 (CHEMBL2027661)	Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50039710	3	ChEMBL_817439 (CHEMBL2027662)	Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50039710	4	ChEMBL_817440 (CHEMBL2027663)	Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50039711	1	ChEMBL_817870 (CHEMBL2027518)	Inhibition of pig APEH using acetyl-Ala-pNA as substrate incubated for 2 mins prior to substrate addition by spectrophotometry
50039712	1	ChEMBL_817901 (CHEMBL2027549)	Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after 6 hrs
50039713	1	ChEMBL_815008 (CHEMBL2027029)	Inhibition of cathepsin E
50039714	1	ChEMBL_815206 (CHEMBL2025223)	Displacement of [3H]-17beta-estradiol from ERalpha
50039714	2	ChEMBL_815207 (CHEMBL2025224)	Displacement of [3H]-17beta-estradiol from ERbeta
50039714	3	ChEMBL_815209 (CHEMBL2025226)	Displacement of [3H]-estradiol from human full length recombinant ERalpha by scintillation proximity assay
50039714	4	ChEMBL_815210 (CHEMBL2025227)	Displacement of [3H]-estradiol from human full length recombinant ERbeta by scintillation proximity assay
50039715	1	ChEMBL_815224 (CHEMBL2025415)	Inhibition of human neuraminidase2 using 4-MU-NANA as substrate preincubated 15 mins prior addition of substrate by fluorimetry relative to control in presence of 125 uM EDTA
50039716	1	ChEMBL_815227 (CHEMBL2025418)	Displacement of [3H]CP55940 from human CB2 receptor membrane fractions
50039716	2	ChEMBL_815226 (CHEMBL2025417)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins
50039716	3	ChEMBL_815225 (CHEMBL2025416)	Displacement of [3H]CP55940 from human CB1 receptor membrane fractions
50039716	4	ChEMBL_815228 (CHEMBL2025419)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP levels after 20 mins
50039717	1	ChEMBL_815240 (CHEMBL2025431)	Agonist activity at TLR7
50039718	1	ChEMBL_815265 (CHEMBL2025456)	Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting
50039718	2	ChEMBL_815266 (CHEMBL2025457)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50039718	3	ChEMBL_815271 (CHEMBL2026486)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production in presence of plasma
50039719	1	ChEMBL_815274 (CHEMBL2026489)	Inhibition of human recombinant MAO-B expressed in insect cells assessed as kynuramine hydrobromide oxidation after 20 mins by spectrophotometric analysis
50039719	2	ChEMBL_815275 (CHEMBL2026490)	Inhibition of human recombinant MAO-A expressed in insect cells assessed as kynuramine hydrobromide oxidation after 20 mins by spectrophotometric analysis
50039720	1	ChEMBL_817926 (CHEMBL2027574)	Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting
50039720	2	ChEMBL_817927 (CHEMBL2027575)	Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay
50039721	1	ChEMBL_815020 (CHEMBL2027041)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA
50039721	2	ChEMBL_815021 (CHEMBL2027167)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA
50039721	3	ChEMBL_815022 (CHEMBL2027168)	Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA
50039721	4	ChEMBL_815023 (CHEMBL2027169)	Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA
50039722	1	ChEMBL_815276 (CHEMBL2026491)	Displacement of [125H]iodoproxyphan from human histamine H3 receptor expressed in CHO-K1 cells
50039722	2	ChEMBL_815278 (CHEMBL2026493)	Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells after 45 mins by scintillation counting method
50039723	1	ChEMBL_815279 (CHEMBL2026494)	Inhibition of human PrCP
50039723	2	ChEMBL_815280 (CHEMBL2026495)	Inhibition of mouse PrCP
50039724	1	ChEMBL_819935 (CHEMBL2032522)	Inhibition of human recombinant aminopeptidase N using Ala-Mca as substrate incubated for 10 mins prior to substrate addition measured for 40 mins by fluorometry
50039724	2	ChEMBL_819934 (CHEMBL2032521)	Inhibition of human recombinant neprilysin using Abz-dR-G-L-EDDnp as substrate incubated for 10 mins prior to substrate addition measured for 40 mins by fluorometry
50039724	3	ChEMBL_819936 (CHEMBL2032523)	Inhibition of human aminopeptidase N
50039724	4	ChEMBL_819937 (CHEMBL2032524)	Inhibition of human neprilysin
50039725	1	ChEMBL_819950 (CHEMBL2032537)	Competitive inhibition of human MAOB expressed in Pichia pastoris
50039725	2	ChEMBL_819948 (CHEMBL2032535)	Competitive inhibition of rat MAOB expressed in Pichia pastoris
50039725	3	ChEMBL_819946 (CHEMBL2032533)	Competitive inhibition of human MAOA expressed in Pichia pastoris
50039725	4	ChEMBL_819945 (CHEMBL2032532)	Competitive inhibition of rat MAOA expressed in Pichia pastoris
50039725	5	ChEMBL_819943 (CHEMBL2032530)	Uncompetitive inhibition of human MAOB expressed in Pichia pastoris
50039725	6	ChEMBL_819944 (CHEMBL2032531)	Uncompetitive inhibition of rat MAOB expressed in Pichia pastoris
50039725	7	ChEMBL_819941 (CHEMBL2032528)	Uncompetitive inhibition of human MAOA expressed in Pichia pastoris
50039725	8	ChEMBL_819942 (CHEMBL2032529)	Uncompetitive inhibition of rat MAOA expressed in Pichia pastoris
50039727	1	ChEMBL_819960 (CHEMBL2032547)	Binding affinity to rat CCR2
50039727	2	ChEMBL_819957 (CHEMBL2032544)	Displacement of [3H]dofetilide from human ERG
50039727	3	ChEMBL_819955 (CHEMBL2032542)	Antagonist activity at CCR2 receptor in human PBMC assessed as inhibition of MCP1-mediated leukocyte chemotaxis after 30 mins by microscopy
50039727	4	ChEMBL_819954 (CHEMBL2032541)	Displacement of [125I]MCP1 from human CCR2 in PBMC after 30 mins by gamma counting
50039727	5	ChEMBL_820104 (CHEMBL2032973)	Inhibition of CYP3A4
50039727	6	ChEMBL_820103 (CHEMBL2032972)	Inhibition of CYP2D6
50039727	7	ChEMBL_820100 (CHEMBL2032969)	Inhibition of CYP1A2
50039727	8	ChEMBL_820101 (CHEMBL2032970)	Inhibition of CYP2C9
50039727	9	ChEMBL_820102 (CHEMBL2032971)	Inhibition of CYP2C19
50039727	10	ChEMBL_820094 (CHEMBL2032963)	Inhibition of human ERG by patch clamp assay
50039727	11	ChEMBL_819964 (CHEMBL2032551)	Inhibition of CCR2-mediated Erk phosphorylation
50039727	12	ChEMBL_819963 (CHEMBL2032550)	Inhibition of CCR2-mediated calcium mobilization
50039727	13	ChEMBL_819962 (CHEMBL2032549)	Antagonist activity at rat CCR2
50039727	14	ChEMBL_819961 (CHEMBL2032548)	Antagonist activity at mouse CCR2
50039727	15	ChEMBL_819959 (CHEMBL2032546)	Binding affinity to mouse CCR2
50039727	16	ChEMBL_819956 (CHEMBL2032543)	Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of alexa-tagged MCP-induced effect 30 mins by flow cytometry
50039728	1	ChEMBL_818183 (CHEMBL2034053)	Inhibition of human CYP3A4
50039728	2	ChEMBL_818182 (CHEMBL2034052)	Inhibition of human CYP2D6
50039728	3	ChEMBL_818181 (CHEMBL2034051)	Inhibition of human CYP2C9
50039728	4	ChEMBL_818037 (CHEMBL2033565)	Inhibition of human CYP1A2
50039728	5	ChEMBL_817986 (CHEMBL2033412)	Inhibition of ERK2 in human HEK293 cells after 1 hr by competition binding assay
50039728	6	ChEMBL_817985 (CHEMBL2033411)	Inhibition of ERK1 in human HEK293 cells after 1 hr by competition binding assay
50039728	7	ChEMBL_817984 (CHEMBL2033410)	Inhibition of EPHA2 in human HEK293 cells after 1 hr by competition binding assay
50039728	8	ChEMBL_817983 (CHEMBL2033409)	Inhibition of EGFR in human HEK293 cells after 1 hr by competition binding assay
50039728	9	ChEMBL_817982 (CHEMBL2033408)	Inhibition of CSF1R in human HEK293 cells after 1 hr by competition binding assay
50001221	2	ChEMBL_1712749 (CHEMBL4122798)	Inhibition of full length recombinant His6-tagged human PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50039728	11	ChEMBL_817980 (CHEMBL2033406)	Inhibition of Aurora A in human HEK293 cells after 1 hr by competition binding assay
50039728	12	ChEMBL_817979 (CHEMBL2033405)	Inhibition of ALK in human HEK293 cells after 1 hr by competition binding assay
50039728	13	ChEMBL_817978 (CHEMBL2033404)	Inhibition of Abl1 in human HEK293 cells after 1 hr by competition binding assay
50039728	14	ChEMBL_817977 (CHEMBL2033403)	Inhibition of CRAF in human HEK293 cells after 1 hr by competition binding assay
50039728	15	ChEMBL_817976 (CHEMBL2033402)	Inhibition of wild type BRAF in human HEK293 cells after 1 hr by competition binding assay
50039728	16	ChEMBL_817987 (CHEMBL2033413)	Inhibition of IGFR1 in human HEK293 cells after 1 hr by competition binding assay
50039728	17	ChEMBL_817988 (CHEMBL2033414)	Inhibition of INSR in human HEK293 cells after 1 hr by competition binding assay
50039728	18	ChEMBL_817989 (CHEMBL2033415)	Inhibition of JAK1 in human HEK293 cells after 1 hr by competition binding assay
50039728	19	ChEMBL_817990 (CHEMBL2033416)	Inhibition of JAK2 in human HEK293 cells after 1 hr by competition binding assay
50039728	20	ChEMBL_817991 (CHEMBL2033417)	Inhibition of JAK3 in human HEK293 cells after 1 hr by competition binding assay
50039728	21	ChEMBL_817992 (CHEMBL2033418)	Inhibition of cKit in human HEK293 cells after 1 hr by competition binding assay
50039728	22	ChEMBL_817993 (CHEMBL2033419)	Inhibition of LCK in human HEK293 cells after 1 hr by competition binding assay
50039728	23	ChEMBL_817994 (CHEMBL2033420)	Inhibition of MEK1 in human HEK293 cells after 1 hr by competition binding assay
50039728	24	ChEMBL_817995 (CHEMBL2033421)	Inhibition of MEK2 in human HEK293 cells after 1 hr by competition binding assay
50039728	25	ChEMBL_817996 (CHEMBL2033422)	Inhibition of cMET in human HEK293 cells after 1 hr by competition binding assay
50039728	26	ChEMBL_817997 (CHEMBL2033423)	Inhibition of PDGFRbeta in human HEK293 cells after 1 hr by competition binding assay
50039728	27	ChEMBL_817998 (CHEMBL2033424)	Inhibition of PIK3-CA in human HEK293 cells after 1 hr by competition binding assay
50039728	28	ChEMBL_817999 (CHEMBL2033425)	Inhibition of PIK3-CB in human HEK293 cells after 1 hr by competition binding assay
50039728	29	ChEMBL_818000 (CHEMBL2033426)	Inhibition of PLK1 in human HEK293 cells after 1 hr by competition binding assay
50039728	30	ChEMBL_818001 (CHEMBL2033427)	Inhibition of Ret in human HEK293 cells after 1 hr by competition binding assay
50039728	31	ChEMBL_818002 (CHEMBL2033428)	Inhibition of VEGFR2 in human HEK293 cells after 1 hr by competition binding assay
50039728	32	ChEMBL_818184 (CHEMBL2034054)	Inhibition of human CYP2C19
50039729	1	ChEMBL_818388 (CHEMBL2034615)	Binding affinity to rabbit muscular GPb by NMR binding assay
50039729	2	ChEMBL_818389 (CHEMBL2034616)	Binding affinity to rabbit muscular GPa by NMR binding assay
50039729	3	ChEMBL_818390 (CHEMBL2034617)	Binding affinity to human liver GPa by NMR binding assay
50039729	4	ChEMBL_818391 (CHEMBL2034618)	Binding affinity to rabbit muscular GPa,b by NMR binding assay
50039730	1	ChEMBL_818396 (CHEMBL2034623)	Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins by Western blot analysis
50039730	2	ChEMBL_818392 (CHEMBL2034619)	Inhibition of PARP1
50039730	3	ChEMBL_818393 (CHEMBL2034620)	Inhibition of PARP2
50039730	4	ChEMBL_818394 (CHEMBL2034621)	Inhibition of TNKS1
50039730	5	ChEMBL_818395 (CHEMBL2034622)	Inhibition of TNKS2
50039730	6	ChEMBL_818399 (CHEMBL2034626)	Inhibition of human PARP1 using NAD+ as substrate after 90 mins by fluorescence analysis
50039730	7	ChEMBL_818400 (CHEMBL2034627)	Inhibition of human PARP2 using NAD+ as substrate after 90 mins by fluorescence analysis
50039731	1	ChEMBL_818416 (CHEMBL2034643)	Agonist activity at rat IP3R1 expressed in chicken DT40 cells assessed as induction of Ca2+ release
50039732	1	ChEMBL_818419 (CHEMBL2034646)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50039733	1	ChEMBL_818426 (CHEMBL2034746)	Displacement of europium-labelled H2 relaxin from RXFP1 expressed in HEK-293T cells
50039733	2	ChEMBL_818425 (CHEMBL2034745)	Displacement of europium-labelled H3 relaxin-B chain/INSL-5 chain from RXFP3 expressed in CHO-K1 cells
50039733	3	ChEMBL_818423 (CHEMBL2034650)	Agonist activity at RXFP3 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs by beta galactosidase reporter gene assay
50039733	4	ChEMBL_818422 (CHEMBL2034649)	Agonist activity at RXFP4 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs by beta galactosidase reporter gene assay
50039734	1	ChEMBL_818430 (CHEMBL2034750)	Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane
50039734	2	ChEMBL_818429 (CHEMBL2034749)	Antagonist activity at human A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated cAMP accumulation
50039734	3	ChEMBL_818428 (CHEMBL2034748)	Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membrane
50039734	4	ChEMBL_818427 (CHEMBL2034747)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membrane
50039735	1	ChEMBL_818439 (CHEMBL2034759)	Inhibition of human PHD2
50039735	2	ChEMBL_818438 (CHEMBL2034758)	Inhibition of human N-terminal His6-thioredoxin tagged PHF8 expressed in Escherichia coli using 2-OG as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by MALDI-TOF analysis
50039736	1	ChEMBL_818647 (CHEMBL2033036)	Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy
50039736	2	ChEMBL_818642 (CHEMBL2033031)	Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay
50039736	3	ChEMBL_818643 (CHEMBL2033032)	Antagonist activity at Smo receptor
50039737	1	ChEMBL_818652 (CHEMBL2033041)	Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis
50039737	2	ChEMBL_818662 (CHEMBL2033151)	Inhibition of ErbB2 by time-resolved fluorometry
50039738	1	ChEMBL_818685 (CHEMBL2033174)	Agonist activity at human ERalpha expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay
50039738	2	ChEMBL_818687 (CHEMBL2033176)	Agonist activity at human ERbeta expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay
50039739	1	ChEMBL_818690 (CHEMBL2033179)	Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis
50039739	2	ChEMBL_818691 (CHEMBL2033180)	Inhibition of human recombinant PYK2 by ESI-MS analysis
50039740	1	ChEMBL_818701 (CHEMBL2033190)	Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay
50039740	2	ChEMBL_818702 (CHEMBL2033191)	Inhibition of human Kif5A ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay
50039740	3	ChEMBL_818703 (CHEMBL2033192)	Inhibition of human Kif5C ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay
50039741	1	ChEMBL_818768 (CHEMBL2033454)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting
50039741	2	ChEMBL_818766 (CHEMBL2033452)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 1 hr by scintillation counting
50039741	3	ChEMBL_818767 (CHEMBL2033453)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced [3H]arachidonic acid release after 16 hrs by liquid scintillation counting
50039741	4	ChEMBL_818778 (CHEMBL2033464)	Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 1 hr by scintillation counting
50039742	1	ChEMBL_818831 (CHEMBL2033617)	Binding affinity to human recombinant NET
50039742	2	ChEMBL_818830 (CHEMBL2033616)	Binding affinity to human recombinant SERT
50039742	3	ChEMBL_818936 (CHEMBL2033987)	Binding affinity to rat H3 receptor
50039742	4	ChEMBL_818967 (CHEMBL2034111)	Binding affinity to human H3 receptor
50039742	5	ChEMBL_818798 (CHEMBL2033484)	Binding affinity to human recombinant 5HT1B receptor
50039742	6	ChEMBL_818807 (CHEMBL2033593)	Binding affinity to human recombinant M5 receptor
50039742	7	ChEMBL_818816 (CHEMBL2033602)	Binding affinity to human recombinant alpha1D adrenergic receptor
50039742	8	ChEMBL_818826 (CHEMBL2033612)	Binding affinity to human recombinant Dopamine D4 receptor
50039742	9	ChEMBL_818793 (CHEMBL2033479)	Binding affinity to human recombinant H1 receptor
50039742	10	ChEMBL_818794 (CHEMBL2033480)	Binding affinity to human recombinant H2 receptor
50039742	11	ChEMBL_818967 (CHEMBL2034111)	Binding affinity to human H3 receptor
50039742	12	ChEMBL_818796 (CHEMBL2033482)	Binding affinity to human recombinant H4 receptor
50039742	13	ChEMBL_818797 (CHEMBL2033483)	Binding affinity to human recombinant 5HT1A receptor
50039742	14	ChEMBL_818799 (CHEMBL2033485)	Binding affinity to human recombinant 5HT1D receptor
50039742	15	ChEMBL_818800 (CHEMBL2033486)	Binding affinity to human recombinant 5HT2A receptor
50039742	16	ChEMBL_818801 (CHEMBL2033487)	Binding affinity to human recombinant 5HT2B receptor
50039742	17	ChEMBL_818802 (CHEMBL2033488)	Binding affinity to human recombinant DAT
50039742	18	ChEMBL_818803 (CHEMBL2033489)	Binding affinity to human recombinant M1 receptor
50039742	19	ChEMBL_818804 (CHEMBL2033490)	Binding affinity to human recombinant M2 receptor
50039742	20	ChEMBL_818805 (CHEMBL2033491)	Binding affinity to human recombinant M3 receptor
50039742	21	ChEMBL_818806 (CHEMBL2033592)	Binding affinity to human recombinant M4 receptor
50039742	22	ChEMBL_818808 (CHEMBL2033594)	Binding affinity to human recombinant 5HT1E receptor
50039742	23	ChEMBL_818809 (CHEMBL2033595)	Binding affinity to human recombinant 5HT2C receptor
50039742	24	ChEMBL_818810 (CHEMBL2033596)	Binding affinity to human recombinant 5HT3 receptor
50039742	25	ChEMBL_818811 (CHEMBL2033597)	Binding affinity to human recombinant 5HT5A receptor
50039742	26	ChEMBL_818812 (CHEMBL2033598)	Binding affinity to human recombinant 5HT6 receptor
50039742	27	ChEMBL_818813 (CHEMBL2033599)	Binding affinity to human recombinant 5HT7 receptor
50039742	28	ChEMBL_818814 (CHEMBL2033600)	Binding affinity to human recombinant alpha1A adrenergic receptor
50039742	29	ChEMBL_818815 (CHEMBL2033601)	Binding affinity to human recombinant alpha1B adrenergic receptor
50039742	30	ChEMBL_818817 (CHEMBL2033603)	Binding affinity to human recombinant alpha2A adrenergic receptor
50001221	3	ChEMBL_1712750 (CHEMBL4122799)	Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50039742	32	ChEMBL_818819 (CHEMBL2033605)	Binding affinity to human recombinant alpha2C adrenergic receptor
50039742	33	ChEMBL_818820 (CHEMBL2033606)	Binding affinity to human recombinant beta1 adrenergic receptor
50039742	35	ChEMBL_818822 (CHEMBL2033608)	Binding affinity to human recombinant beta3 adrenergic receptor
50039742	36	ChEMBL_818823 (CHEMBL2033609)	Binding affinity to human recombinant Dopamine D1 receptor
50039742	37	ChEMBL_818824 (CHEMBL2033610)	Binding affinity to human recombinant Dopamine D2 receptor
50039742	38	ChEMBL_818825 (CHEMBL2033611)	Binding affinity to human recombinant Dopamine D3 receptor
50039742	39	ChEMBL_818827 (CHEMBL2033613)	Binding affinity to human recombinant Dopamine D5 receptor
50039742	40	ChEMBL_818828 (CHEMBL2033614)	Binding affinity to human recombinant sigma1 receptor
50039743	1	ChEMBL_819069 (CHEMBL2034391)	Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting
50039743	2	ChEMBL_819070 (CHEMBL2034392)	Displacement of [3H]-(R)-alpha-methylhistamine from rat H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting
50039743	3	ChEMBL_819072 (CHEMBL2034394)	Inhibition of human ERG by IonWorks assay
50039743	4	ChEMBL_819073 (CHEMBL2034395)	Binding affinity to H1 receptor
50039743	5	ChEMBL_819074 (CHEMBL2034396)	Binding affinity to H2 receptor
50039743	6	ChEMBL_819075 (CHEMBL2034397)	Binding affinity to 5-HT1A receptor
50039743	7	ChEMBL_819076 (CHEMBL2034398)	Binding affinity to 5-HT2B receptor
50039743	8	ChEMBL_819077 (CHEMBL2034399)	Binding affinity to 5-HT6 receptor
50039743	9	ChEMBL_819078 (CHEMBL2034400)	Binding affinity to D2 receptor
50039743	10	ChEMBL_819079 (CHEMBL2034401)	Binding affinity to alpha-2A receptor
50039743	11	ChEMBL_819080 (CHEMBL2034402)	Binding affinity to 5-HT transporter
50039743	12	ChEMBL_819081 (CHEMBL2034403)	Binding affinity to DAT
50039743	13	ChEMBL_819082 (CHEMBL2034404)	Inverse agonist activity at human H3 receptor expressed in HEK293T cells assessed as inhibition of {35S]GTPgamma binding
50039744	2	ChEMBL_819184 (CHEMBL2034704)	Inhibition of c-Met by HTRF assay
50039744	3	ChEMBL_819187 (CHEMBL2032456)	Inhibition of IGF1R by HTRF assay
50039744	4	ChEMBL_819185 (CHEMBL2032454)	Inhibition of VEGFR2 by HTRF assay
50001221	4	ChEMBL_1712757 (CHEMBL4122806)	Inhibition of full length recombinant His6-tagged PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	5	ChEMBL_1712758 (CHEMBL4122807)	Inhibition of full length recombinant His6-tagged PARP15 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	6	ChEMBL_1712759 (CHEMBL4122808)	Inhibition of full length recombinant His6-tagged PARP1 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	7	ChEMBL_1712760 (CHEMBL4122809)	Inhibition of full length recombinant His6-tagged PARP5A catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	8	ChEMBL_1712765 (CHEMBL4122814)	Inhibition of full length recombinant His6-tagged PARP2 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	9	ChEMBL_1712766 (CHEMBL4122815)	Inhibition of full length recombinant His6-tagged PARP5B catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001221	10	ChEMBL_1712767 (CHEMBL4122816)	Inhibition of full length recombinant His6-tagged human PARP5A expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay
50039744	5	ChEMBL_819190 (CHEMBL2032459)	Inhibition of RON by HTRF assay
50039744	6	ChEMBL_819200 (CHEMBL2032469)	Inhibition of c-KIT
50039744	7	ChEMBL_819209 (CHEMBL2032478)	Inhibition of p70S6K
50039744	8	ChEMBL_819215 (CHEMBL2032484)	Inhibition of PKAalpha
50039744	9	ChEMBL_819214 (CHEMBL2032483)	Inhibition of p38alpha
50039744	10	ChEMBL_819213 (CHEMBL2032482)	Inhibition of MSK1
50039744	11	ChEMBL_819212 (CHEMBL2032481)	Inhibition of JNK2
50039744	12	ChEMBL_819211 (CHEMBL2032480)	Inhibition of ERK1
50039744	14	ChEMBL_819208 (CHEMBL2032477)	Inhibition of RET
50039744	15	ChEMBL_819207 (CHEMBL2032476)	Inhibition of PKBbeta
50039744	16	ChEMBL_819206 (CHEMBL2032475)	Inhibition of PIM2
50039744	17	ChEMBL_819205 (CHEMBL2032474)	Inhibition of PIM1
50039744	18	ChEMBL_819204 (CHEMBL2032473)	Inhibition of JAK2
50039744	19	ChEMBL_819203 (CHEMBL2032472)	Inhibition of JAK1
50039744	20	ChEMBL_819202 (CHEMBL2032471)	Inhibition of FGFRK
50039744	21	ChEMBL_819201 (CHEMBL2032470)	Inhibition of PKBalpha
50039744	22	ChEMBL_819199 (CHEMBL2032468)	Inhibition of JAK3
50039744	23	ChEMBL_819198 (CHEMBL2032467)	Inhibition of IRK
50039744	25	ChEMBL_819196 (CHEMBL2032465)	Inhibition of BTK
50039744	26	ChEMBL_819195 (CHEMBL2032464)	Inhibition of Abl
50039744	27	ChEMBL_819194 (CHEMBL2032463)	Inhibition of TIE2
50039744	28	ChEMBL_819193 (CHEMBL2032462)	Inhibition of Src
50039744	29	ChEMBL_819192 (CHEMBL2032461)	Inhibition of LCK
50039744	30	ChEMBL_819191 (CHEMBL2032460)	Inhibition of aurora-1
50039745	1	ChEMBL_819216 (CHEMBL2032485)	Inhibition of recombinant c-met-mediated gastrin phosphorylation by HTRF assay
50039745	2	ChEMBL_819217 (CHEMBL2032486)	Inhibition of HGF-mediated c-met autophosphorylation in serum-starved human PC3 cells after 1 hr by electrochemiluminescent immunoassay
50039745	3	ChEMBL_819218 (CHEMBL2032487)	Inhibition of VEGFR2
50039746	1	ChEMBL_819359 (CHEMBL2032922)	Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced Ca2+ influx incubated 2.5 mins prior icilin induction by flash luminometry
50039747	1	ChEMBL_819566 (CHEMBL2033650)	Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluorescence assay
50039748	1	ChEMBL_819567 (CHEMBL2033651)	Inhibition of EGFR after 1.5 hr by FRET assay
50039748	2	ChEMBL_819572 (CHEMBL2033656)	Binding affinity to EGFR
50039749	1	ChEMBL_819988 (CHEMBL2032663)	Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr
50001221	11	ChEMBL_1712756 (CHEMBL4122805)	Inhibition of full length recombinant His6-tagged PARP10 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence based assay
50001229	1	ChEMBL_1712775 (CHEMBL4122824)	Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay
50001229	2	ChEMBL_1712776 (CHEMBL4122825)	Inhibition of human ERG expressed in CHOK1 cells at holding potential of -80 mV after 5 mins by patch clamp assay
50001229	3	ChEMBL_1712777 (CHEMBL4122826)	Inhibition of human Nav1.5 expressed in HEK293 cells at -80 mV holding potential after 5 mins by patch clamp assay
50039751	1	ChEMBL_820003 (CHEMBL2032678)	Competitive inhibition of wild type human glucocerebrosidase using 2,4-dinitrophenyl beta-D-glucopyranoside as substrate after 3 mins by Dixon and Line-Weaver Burk plot analysis at pH 5
50039751	2	ChEMBL_820008 (CHEMBL2032683)	Inhibition of human cytosolic beta-glucosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by fluorimetric analysis
50039751	3	ChEMBL_820004 (CHEMBL2032679)	Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 15 mins by Dixon and Line-Weaver Burk plot analysis at pH 5
50039752	1	ChEMBL_820157 (CHEMBL2033868)	Positive allosteric modulation of human mGlu2 receptor expressed in CHO cells assessed as glutamate-induced [35S]GTPgammaS binding after 30 mins by liquid scintillation counting
50039753	1	ChEMBL_818049 (CHEMBL2033577)	Displacement of fluormone Pan-PPAR Green from mouse recombinant GST-tagged PPARbeta/delta LBD after 60 mins by TR-FRET assay
50039753	2	ChEMBL_818053 (CHEMBL2033581)	Inverse agonist activity at PPARbeta/delta in mouse C2C12 cells assessed as inhibition of Angptl4 expression after 24 hrs by RT-qPCR analysis
50039754	1	ChEMBL_818069 (CHEMBL2033711)	Inhibition of human ABL by radiometric assay
50039754	2	ChEMBL_818068 (CHEMBL2033710)	Inhibition of human SRC by radiometric assay
50039755	1	ChEMBL_818077 (CHEMBL2033719)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells
50039755	2	ChEMBL_818078 (CHEMBL2033720)	Displacement of [3H]CP55940 from CB2 receptor expressed in CHO-K1 cells
50039755	3	ChEMBL_818076 (CHEMBL2033718)	Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells
50039756	1	ChEMBL_818260 (CHEMBL2034221)	Inhibition of mouse PrCP
50039756	2	ChEMBL_818259 (CHEMBL2034220)	Inhibition of human PrCP
50039757	1	ChEMBL_818300 (CHEMBL2034348)	Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK cell membranes after 30 mins by scintillation counting
50039757	2	ChEMBL_818296 (CHEMBL2034344)	Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor
50039758	1	ChEMBL_818494 (CHEMBL2032586)	Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins by fluorescence analysis
50039759	1	ChEMBL_818499 (CHEMBL2032591)	Inhibition of human Erg expressed in HEK293 cells assessed as rubidium efflux after 4 hrs by atomic absorbance spectrometric analysis
50039759	2	ChEMBL_818587 (CHEMBL2032874)	Binding affinity to muscarinic M2 receptor
50039759	3	ChEMBL_818498 (CHEMBL2032590)	Displacement of [125I]-MCH from MCHR1 after 2 hrs by scintillation counting
50039759	4	ChEMBL_818500 (CHEMBL2032592)	Binding affinity to human MCHR1
50039759	5	ChEMBL_818501 (CHEMBL2032593)	Antagonist activity at human MCHR1 assessed inhibition of MCH-mediated intracellular Ca2+ calcium mobilization by aequorin assay
50039759	6	ChEMBL_818502 (CHEMBL2032594)	Antagonist activity at mouse MCHR1 assessed inhibition of MCH-mediated intracellular Ca2+ calcium mobilization
50039759	7	ChEMBL_818575 (CHEMBL2032862)	Antagonist activity at rat MCHR1 assessed inhibition of MCH-mediated intracellular Ca2+ calcium mobilization
50039759	8	ChEMBL_818576 (CHEMBL2032863)	Antagonist activity at rhesus monkey MCHR1 assessed inhibition of MCH-mediated intracellular Ca2+ calcium mobilization
50039759	9	ChEMBL_818577 (CHEMBL2032864)	Antagonist activity at human MCHR2 assessed inhibition of MCH-mediated intracellular Ca2+ calcium mobilization
50039759	10	ChEMBL_818578 (CHEMBL2032865)	Binding affinity to serotonin 5HT1A receptor
50039759	11	ChEMBL_818579 (CHEMBL2032866)	Binding affinity to serotonin 5HT2A receptor
50039759	12	ChEMBL_818580 (CHEMBL2032867)	Binding affinity to serotonin 5HT2C receptor
50039759	13	ChEMBL_818581 (CHEMBL2032868)	Antagonist activity at serotonin 5HT2C receptor assessed as blockage of intracellular calcium mobilization
50039759	14	ChEMBL_818582 (CHEMBL2032869)	Binding affinity to dopamine D1 receptor
50039759	15	ChEMBL_818583 (CHEMBL2032870)	Binding affinity to dopamine D2 receptor
50039759	16	ChEMBL_818584 (CHEMBL2032871)	Binding affinity to adrenergic alpha2A receptor
50039759	17	ChEMBL_818585 (CHEMBL2032872)	Binding affinity to adrenergic alpha2C receptor
50039759	18	ChEMBL_818586 (CHEMBL2032873)	Binding affinity to opioid mu receptor
50039759	19	ChEMBL_818588 (CHEMBL2032875)	Binding affinity to muscarinic M3 receptor
50039759	20	ChEMBL_818589 (CHEMBL2032876)	Binding affinity to norepinephrine transporter
50039759	21	ChEMBL_818590 (CHEMBL2032877)	Binding affinity to serotonin transporter
50039759	22	ChEMBL_818621 (CHEMBL2032908)	Binding affinity to human Erg
50039760	1	ChEMBL_818727 (CHEMBL2033254)	Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis
50039761	1	ChEMBL_818747 (CHEMBL2033274)	Inhibition of CETP in human plasma assessed as transfer of fluorescently labelled cholesteryl ester to VLDL by fluorimetry
50039762	1	ChEMBL_818764 (CHEMBL2033450)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50039762	2	ChEMBL_818842 (CHEMBL2033628)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of 45Ca2+ uptake
50039763	1	ChEMBL_818894 (CHEMBL2033795)	Displacement of 3H-WIN-35428 from DAT in rat striata after 120 mins
50039763	2	ChEMBL_818897 (CHEMBL2033798)	Inhibition of CYP2C19
50039764	1	ChEMBL_818992 (CHEMBL2034136)	Inhibition of 5-lipoxygenase in cell free S100 freshly isolated human PMNL cells assessed as inhibition of A23187-stimulated 5-LO product formation preincubated for 15 mins measured after 10 mins by HPLC analysis
50039764	2	ChEMBL_818991 (CHEMBL2034135)	Inhibition of 5-lipoxygenase in human polynuclear leukocytes assessed as inhibition of A23187-stimulated 5-LO product formation preincubated for 15 mins measured after 10 mins by HPLC analysis
50039765	1	ChEMBL_819010 (CHEMBL2034242)	Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay
50039765	2	ChEMBL_819008 (CHEMBL2034240)	Agonist activity at Rev-erbalpha assessed as NCoR recruitment by FRET assay
50039766	1	ChEMBL_819025 (CHEMBL2034257)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting
50039767	1	ChEMBL_819133 (CHEMBL2034653)	Inhibition of human ATP-dependent DNA ligase 1
50039768	1	ChEMBL_819142 (CHEMBL2034662)	Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay
50039768	2	ChEMBL_819143 (CHEMBL2034663)	Inhibition of CDC7 in human MDA-MB-231T cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs
50039768	3	ChEMBL_819268 (CHEMBL2032625)	Inhibition of human Erg
50039768	4	ChEMBL_819140 (CHEMBL2034660)	Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP
50039768	5	ChEMBL_819146 (CHEMBL2034666)	Inhibition of CDC7 in human Caco2 cells assessed as inhibition of MCM2 phosphorylation at Ser53 after 4 hrs
50039768	6	ChEMBL_819264 (CHEMBL2032621)	Inhibition of CYP2C9
50039768	7	ChEMBL_819265 (CHEMBL2032622)	Inhibition of CYP2D6
50039768	8	ChEMBL_819266 (CHEMBL2032623)	Inhibition of CYP2C19
50039768	9	ChEMBL_819267 (CHEMBL2032624)	Inhibition of CYP1A2
50039768	10	ChEMBL_819263 (CHEMBL2032620)	Inhibition of CYP3A4
50039769	1	ChEMBL_819277 (CHEMBL2032634)	Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay
50039769	2	ChEMBL_819276 (CHEMBL2032633)	Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay
50039770	1	ChEMBL_819282 (CHEMBL2032639)	Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular calcium concentration preincubated for 4 to 5 mins before KCl challenge
50039771	1	ChEMBL_819396 (CHEMBL2033063)	Binding affinity to integrin alpha5beta1
50039771	2	ChEMBL_819397 (CHEMBL2033064)	Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion
50039771	3	ChEMBL_819403 (CHEMBL2033070)	Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion in presence of Mg2+ and MK-0429
50039771	4	ChEMBL_819401 (CHEMBL2033068)	Antagonist activity at integrin alphaVbeta3 in human A375M cells assessed as cell adhesion to fibrinogen in presence of Mg2+
50039771	5	ChEMBL_819398 (CHEMBL2033065)	Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of human serum albumin
50039772	1	ChEMBL_819407 (CHEMBL2033074)	Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by fluorescence analysis
50039773	1	ChEMBL_819410 (CHEMBL2033077)	Inhibition of cathepsin D
50039774	1	ChEMBL_819483 (CHEMBL2033288)	Inhibition of integrin alpha2b beta3
50039774	2	ChEMBL_819478 (CHEMBL2033283)	Binding affinity to integrin alpha5beta1
50039774	3	ChEMBL_819482 (CHEMBL2033287)	Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion in presence of 630 uM human serum albumin
50039774	4	ChEMBL_819484 (CHEMBL2033289)	Antagonist activity at integrin alphavbeta3 in human A375M cells assessed as inhibition of cell adhesion to fibrinogen in presence of Mg2+
50039774	5	ChEMBL_819486 (CHEMBL2033291)	Antagonist activity at integrin alpha5beta1 in human A375M cells assessed as inhibition of cell adhesion to fibronectin in presence of Mg2+ and MK-0429
50039774	6	ChEMBL_819479 (CHEMBL2033284)	Antagonist activity at integrin alpha5beta1 in human K562 cells assessed as inhibition of cell adhesion
50039775	1	ChEMBL_819515 (CHEMBL2033320)	Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells
50039775	2	ChEMBL_819516 (CHEMBL2033321)	Inhibition of 5-lipoxygenase-activating protein in human polymorphonuclear cells assessed as inhibition of calcium ionophore-induced LTB4 production in presence of human whole blood
50039776	1	ChEMBL_819533 (CHEMBL2033506)	Inhibition of recombinant GST-tagged 14-3-3gamma interaction with PRAS40 in Cos7 cell lysate by ELISA
50039776	2	ChEMBL_819534 (CHEMBL2033507)	Inhibition of recombinant GST-tagged 14-3-3gamma interaction with TMR-pS259-Raf peptide after 30 mins by fluorescence polarization assay
50039777	1	ChEMBL_819634 (CHEMBL2033819)	Transactivation of human PPARdelta expressed in african green monkey CV1 cells by luciferase reporter gene assay
50039777	2	ChEMBL_819638 (CHEMBL2033823)	Binding affinity to GST-tagged human PPARalpha by TR-FRET analysis
50039777	3	ChEMBL_819639 (CHEMBL2033824)	Binding affinity to GST-tagged human PPARgamma by TR-FRET analysis
50039777	4	ChEMBL_819632 (CHEMBL2033817)	Transactivation of human PPARalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay
50039777	5	ChEMBL_819633 (CHEMBL2033818)	Transactivation of human PPARgamma expressed in african green monkey CV1 cells by luciferase reporter gene assay
50039778	1	ChEMBL_819647 (CHEMBL2033832)	Inhibition of human Erg expressed in HEK293 cells by whole cell patch clamp analysis
50039779	1	ChEMBL_819737 (CHEMBL2034167)	Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
50039779	2	ChEMBL_819736 (CHEMBL2034166)	Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay
50039780	1	ChEMBL_819757 (CHEMBL2034187)	Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis
50039780	2	ChEMBL_819761 (CHEMBL2034273)	Inhibition of Ron
50039780	3	ChEMBL_819758 (CHEMBL2034188)	Inhibition of recombinant FLT3 by time resolved-fluorescence resonance energy transfer analysis
50039780	4	ChEMBL_819762 (CHEMBL2034274)	Inhibition of Aurora A
50039781	1	ChEMBL_819765 (CHEMBL2034277)	Agonist activity at SIP3 receptor
50039781	2	ChEMBL_819766 (CHEMBL2034278)	Agonist activity at SIP1 receptor
50039782	1	ChEMBL_819781 (CHEMBL2034293)	Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay
50039783	1	ChEMBL_819786 (CHEMBL2034298)	Agonist activity at kappa opioid receptor in guinea pig ileum assessed as electric field-stimulated response
50039783	2	ChEMBL_819785 (CHEMBL2034297)	Agonist activity at recombinant kappa opioid receptor expressed in human U2OS cells coexpressing beta arrestin/EA complex assessed as beta arrestin recruitment after 60 mins by luminescence spectrophotometry
50039784	1	ChEMBL_819787 (CHEMBL2034299)	Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins by scintillation counting
50039785	1	ChEMBL_819788 (CHEMBL2034300)	Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay
50039785	2	ChEMBL_819835 (CHEMBL2034449)	Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay
50039785	3	ChEMBL_819836 (CHEMBL2034450)	Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay
50039785	4	ChEMBL_819837 (CHEMBL2034551)	Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay
50039785	5	ChEMBL_819840 (CHEMBL2034554)	Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis
50039785	6	ChEMBL_819850 (CHEMBL2034564)	Inhibition of human AOC2
50039785	7	ChEMBL_819789 (CHEMBL2034301)	Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay
50039786	1	ChEMBL_819862 (CHEMBL2034576)	Inhibition of proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate after 60 mins
50039786	2	ChEMBL_819860 (CHEMBL2034574)	Inhibition of human neutrophil elastase using chromogenic substrate (N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide after 120 mins
50039786	3	ChEMBL_819861 (CHEMBL2034575)	Inhibition of cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 30 mins
50039787	1	ChEMBL_819870 (CHEMBL2034584)	Inhibition of HGF-induced autophosphorylation of c-Met in human PC3 cells
50039787	2	ChEMBL_819869 (CHEMBL2034583)	Inhibition of c-Met
50039788	1	ChEMBL_819893 (CHEMBL2034705)	Inhibition of EGFR after 50 mins by HTRF assay
50039789	1	ChEMBL_820021 (CHEMBL2032794)	Binding affinity to human CB2 receptor
50039789	2	ChEMBL_820025 (CHEMBL2032798)	Inhibition of human ERG
50039789	3	ChEMBL_820037 (CHEMBL2032810)	Inhibition of CYP2C9 in human liver microsomes
50039789	4	ChEMBL_820022 (CHEMBL2032795)	Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding
50039789	5	ChEMBL_820020 (CHEMBL2032793)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells
50001229	4	ChEMBL_1712789 (CHEMBL4122838)	Inhibition of mouse TRPC6
50039790	3	ChEMBL_820048 (CHEMBL2032821)	Inhibition of aurora A kinase
50001231	1	ChEMBL_1712803 (CHEMBL4122852)	Inhibition of Bcr-Abl (unknown origin)
50001232	1	ChEMBL_1712827 (CHEMBL4122876)	Displacement of [3H]-ZM-241385 from human adenosine A2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting analysis
50039791	1	ChEMBL_820053 (CHEMBL2032826)	Displacement of [3H]spiperone from human D2 DA receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50039791	2	ChEMBL_820054 (CHEMBL2032827)	Displacement of [3H]8OH-DPAT from human 5HT1A receptor expressed in CHO -K1 cell membrane after 60 mins by liquid scintillation counting
50039792	1	ChEMBL_820069 (CHEMBL2032842)	Partial antagonist activity at neuropeptide Y receptor Y2
50039792	2	ChEMBL_820067 (CHEMBL2032840)	Antagonist activity at neuropeptide Y receptor Y2
50039793	1	ChEMBL_820074 (CHEMBL2032847)	Inhibition of bovine platelet PDE5
50039794	1	ChEMBL_820245 (CHEMBL2033332)	Inhibition of human ERG by whole cell assay
50039794	2	ChEMBL_820241 (CHEMBL2033328)	Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins
50039794	3	ChEMBL_820247 (CHEMBL2033334)	Inhibition of CYP2C9
50039794	4	ChEMBL_820240 (CHEMBL2033327)	Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-Pro-Ser-Val-Leu-Glu-Ser-Val-Lys-Glu-NH2 as substrate after 90 mins
50039795	1	ChEMBL_820257 (CHEMBL2033344)	Competitive inhibition of Epac2 using fluorescent nucleotide analog 8-NBD-cAMP by fluorescence analysis
50039796	1	ChEMBL_820285 (CHEMBL2033372)	Inhibition of DAT
50039796	2	ChEMBL_818105 (CHEMBL2033747)	Inhibition of SERT
50039796	3	ChEMBL_820281 (CHEMBL2033368)	Inhibition of D2 dopamine receptor
50039796	4	ChEMBL_820282 (CHEMBL2033369)	Inhibition of D3 dopamine receptor
50039796	5	ChEMBL_820267 (CHEMBL2033354)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate
50039796	6	ChEMBL_820274 (CHEMBL2033361)	Inhibition of alpha2C adrenergic receptor
50039796	7	ChEMBL_820284 (CHEMBL2033371)	Inhibition of D5 dopamine receptor
50039796	8	ChEMBL_818111 (CHEMBL2033753)	Inhibition of M5 muscarinic receptor
50039796	9	ChEMBL_818107 (CHEMBL2033749)	Inhibition of M1 muscarinic receptor
50039796	10	ChEMBL_818108 (CHEMBL2033750)	Inhibition of M2 muscarinic receptor
50039796	11	ChEMBL_818109 (CHEMBL2033751)	Inhibition of M3 muscarinic receptor
50039796	12	ChEMBL_818110 (CHEMBL2033752)	Inhibition of M4 muscarinic receptor
50039796	13	ChEMBL_820270 (CHEMBL2033357)	Inhibition of alpha1B adrenergic receptor
50039796	15	ChEMBL_820289 (CHEMBL2033376)	Inhibition of H3 receptor
50039797	1	ChEMBL_818163 (CHEMBL2033940)	Inhibition of rat KCC2 expressed in human Sk-Hep cells assessed as induction off Rb+ flux by atomic absorption spectroscopic analysis
50039798	1	ChEMBL_818166 (CHEMBL2033943)	Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis
50039798	2	ChEMBL_818165 (CHEMBL2033942)	Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay
50039799	1	ChEMBL_818177 (CHEMBL2033954)	Inhibition of Bcl-XL using fluoresceinated 18-mer Bim as substrate after 60 mins by FRET analysis
50039799	2	ChEMBL_818176 (CHEMBL2033953)	Inhibition in GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay
50039800	1	ChEMBL_818324 (CHEMBL2034461)	Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood
50039800	2	ChEMBL_818342 (CHEMBL2034479)	Inhibition of human ERG
50039800	3	ChEMBL_818343 (CHEMBL2034480)	Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human whole blood IC50
50039800	4	ChEMBL_818323 (CHEMBL2034460)	Inhibition of p38alpha kinase
50039801	1	ChEMBL_818346 (CHEMBL2034483)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane
50039801	2	ChEMBL_818345 (CHEMBL2034482)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane
50039801	3	ChEMBL_818355 (CHEMBL2034492)	Inverse agonist activity at human H3 receptor by [35S]GTPgamma binding assay
50039801	4	ChEMBL_818356 (CHEMBL2034493)	Inhibition of CYP1A2
50039801	5	ChEMBL_818357 (CHEMBL2034494)	Inhibition of CYP2C9
50039801	6	ChEMBL_818358 (CHEMBL2034495)	Inhibition of CYP2C19
50039801	7	ChEMBL_818359 (CHEMBL2034496)	Inhibition of CYP2D6
50039801	8	ChEMBL_818360 (CHEMBL2034497)	Inhibition of CYP3A4
50039801	9	ChEMBL_818370 (CHEMBL2034507)	Inhibition of human ERG by patch clamp assay
50039802	1	ChEMBL_818372 (CHEMBL2034509)	Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins by FLIPR assay
50039802	2	ChEMBL_818373 (CHEMBL2034510)	Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins by FLIPR assay
50039803	1	ChEMBL_821729 (CHEMBL2038925)	Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in presence of excess Zn(II)
50039804	1	ChEMBL_821762 (CHEMBL2039059)	Antagonist activity at human EP3c receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced calcium mobilization after 24 hrs by FLIPR assay
50039804	2	ChEMBL_821732 (CHEMBL2039029)	Antagonist activity against human EP2 receptor expressed in CHO-K1 cells assessed as inhibition of cAMP production after 4 hrs by FRET signal in LANCE assay
50039804	3	ChEMBL_821749 (CHEMBL2039046)	Binding affinity at human DP receptor
50039804	4	ChEMBL_821750 (CHEMBL2039047)	Binding affinity at human EP4 receptor
50039804	5	ChEMBL_821751 (CHEMBL2039048)	Inhibition of COX2 in rat whole blood assessed as decreased PGE2 production
50039804	6	ChEMBL_821753 (CHEMBL2039050)	Inhibition of COX1 in rat whole blood assessed as decreased PGE2 production
50039804	7	ChEMBL_821755 (CHEMBL2039052)	Inhibition of human ERG
50039804	8	ChEMBL_821757 (CHEMBL2039054)	Inhibition of CYP2D6
50039804	9	ChEMBL_821756 (CHEMBL2039053)	Inhibition of CYP2C9
50039804	10	ChEMBL_821758 (CHEMBL2039055)	Inhibition of CYP2C19
50039804	11	ChEMBL_821759 (CHEMBL2039056)	Inhibition of CYP1A2
50039804	12	ChEMBL_821733 (CHEMBL2039030)	Antagonist activity at EP1 receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay
50039804	13	ChEMBL_821761 (CHEMBL2039058)	Antagonist activity at rat EP3 receptor expressed in human U2OS cells co-expressing Gqi5 assessed as inhibition of PGE2-induced response after 24 hrs by FLIPR assay
50039804	14	ChEMBL_821748 (CHEMBL2039045)	Antagonist activity at FP receptor in human U2OS cells expressing Gqi5 assessed as inhibition of PGE2-induced response after 48 hrs by FLIPR assay
50039804	15	ChEMBL_821754 (CHEMBL2039051)	Inhibition of CYP3A4
50039804	16	ChEMBL_821742 (CHEMBL2039039)	Binding affinity to human EP3
50039805	1	ChEMBL_821764 (CHEMBL2039061)	Inhibition of ICMT in cell free system
50039806	1	ChEMBL_821891 (CHEMBL2039537)	Inhibition of SRC
50039807	1	ChEMBL_821901 (CHEMBL2039547)	Inhibition of human recombinant CYP3A4 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	2	ChEMBL_821902 (CHEMBL2039548)	Inhibition of human recombinant CYP2D6 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	3	ChEMBL_821903 (CHEMBL2039549)	Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	4	ChEMBL_821904 (CHEMBL2039550)	Inhibition of human recombinant CYP2C9 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	5	ChEMBL_821905 (CHEMBL2039551)	Inhibition of human recombinant CYP2C19 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	6	ChEMBL_821900 (CHEMBL2039546)	Inhibition of human recombinant CYP2B6 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039807	7	ChEMBL_821892 (CHEMBL2039538)	Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay
50039807	8	ChEMBL_821893 (CHEMBL2039539)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change incubated for 20 mins prior to PGD2-challenge measured after 10 mins by flow cytometry
50039807	9	ChEMBL_821895 (CHEMBL2039541)	Antagonist activity at human CRTH2 receptor expressed in CHO cell membrane assessed as inhibition of PGD2-induced [35S]GTPgammaS binding after 30 mins by microbeta scintillation counting
50039807	10	ChEMBL_821899 (CHEMBL2039545)	Inhibition of human recombinant CYP1A2 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry
50039808	1	ChEMBL_821912 (CHEMBL2039558)	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay
50039808	2	ChEMBL_821913 (CHEMBL2039559)	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay
50039809	1	ChEMBL_820514 (CHEMBL2040089)	Displacement of Thioflavin S from recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay
50039809	2	ChEMBL_820517 (CHEMBL2040092)	Binding affinity to recombinant human tau expressed in Escherichia coli after 30 mins by fluorescence assay
50039810	1	ChEMBL_820649 (CHEMBL2040538)	Inhibition of MK2 using 5TAMRA-KKLNRTLSVA-COOH as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by immobilized metal ion affinity-based fluorescence polarization assay in presence of 100 uM ATP
50039810	2	ChEMBL_820650 (CHEMBL2040539)	Inhibition of MK2 in human THP1 cells assessed as inhibition of LPS-induced HSP27 Ser78 phosphorylation incubated for 60 mins prior to LPS-induction measured after 60 mins
50039811	1	ChEMBL_820659 (CHEMBL2037930)	Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
50039811	2	ChEMBL_820660 (CHEMBL2037931)	Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
50039811	3	ChEMBL_820661 (CHEMBL2037932)	Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay
50039811	4	ChEMBL_820669 (CHEMBL2037940)	Inhibition of Mer autophosphorylation in human 697 cells pretreated for 1 hr before addition of phosphatase inhibitor measured by Western blot analysis
50039811	5	ChEMBL_820664 (CHEMBL2037935)	Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menten equation
50039812	1	ChEMBL_820771 (CHEMBL2038329)	Inhibition of human CYP1A2
50039812	2	ChEMBL_820772 (CHEMBL2038330)	Inhibition of human CYP2C9
50039812	3	ChEMBL_820774 (CHEMBL2038332)	Inhibition of human CYP3A4
50039812	4	ChEMBL_820773 (CHEMBL2038331)	Inhibition of human CYP2D6
50039812	5	ChEMBL_820673 (CHEMBL2037944)	Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50039812	6	ChEMBL_820674 (CHEMBL2037945)	Agonist activity at human GPR109b
50039812	7	ChEMBL_820675 (CHEMBL2037946)	Agonist activity at rat GPR109a
50039812	8	ChEMBL_820676 (CHEMBL2037947)	Agonist activity at mouse GPR109a
50001234	1	ChEMBL_1712829 (CHEMBL4122878)	Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins in absence of human serum albumin by ELISA
50001234	2	ChEMBL_1712830 (CHEMBL4122879)	Inhibition of recombinant human renin using angiotensinogen as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins in presence of human serum albumin by ELISA
50001234	3	ChEMBL_1712831 (CHEMBL4122880)	Inhibition of renin in human plasma by radioimmunoassay
50001234	4	ChEMBL_1712840 (CHEMBL4122889)	Inhibition of renin in monkey plasma
50001234	5	ChEMBL_1712839 (CHEMBL4122888)	Inhibition of renin in rat plasma
50039814	1	ChEMBL_820804 (CHEMBL2038509)	Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
50039814	2	ChEMBL_820806 (CHEMBL2038511)	Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIPR assay
50039815	1	ChEMBL_820888 (CHEMBL2038829)	Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay
50039815	2	ChEMBL_820887 (CHEMBL2038828)	Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay
50039815	3	ChEMBL_820894 (CHEMBL2038835)	Inhibition of Flt3 using EAIYAAPFAKKK as substrate by radiometric assay
50039815	4	ChEMBL_820895 (CHEMBL2038836)	Inhibition of Pim3 using RSRHSSYPAGT as substrate by radiometric assay
50039815	5	ChEMBL_820900 (CHEMBL2038841)	Reversible inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate
50039815	6	ChEMBL_820904 (CHEMBL2038845)	Inhibition of Flt3 phosphorylation at Y591 in human MV411 cells after 2 hrs by Western blot analysis
50039816	1	ChEMBL_820931 (CHEMBL2038872)	Inhibition of Tel-fused FLT1 in mouse BA/F3 cells
50039816	2	ChEMBL_820930 (CHEMBL2038871)	Inhibition of Tel-fused FGR in mouse BA/F3 cells
50039816	3	ChEMBL_820929 (CHEMBL2038870)	Inhibition of Tel-fused FGFR4 in mouse BA/F3 cells
50039816	4	ChEMBL_820928 (CHEMBL2038869)	Inhibition of Tel-fused FGFR3 in mouse BA/F3 cells
50039816	5	ChEMBL_821006 (CHEMBL2039193)	Inhibition of Tel-fused TIE1 in mouse BA/F3 cells
50039816	6	ChEMBL_821005 (CHEMBL2039192)	Inhibition of Tel-fused SRC in mouse BA/F3 cells
50039816	7	ChEMBL_821004 (CHEMBL2039191)	Inhibition of Tel-fused RON in mouse BA/F3 cells
50039816	8	ChEMBL_821003 (CHEMBL2039190)	Inhibition of Tel-fused RET in mouse BA/F3 cells
50039816	9	ChEMBL_820940 (CHEMBL2038985)	Inhibition of Tel-fused PDGFRbeta in mouse BA/F3 cells
50039816	10	ChEMBL_820939 (CHEMBL2038984)	Inhibition of Tel-fused LYN in mouse BA/F3 cells
50039816	11	ChEMBL_820938 (CHEMBL2038983)	Inhibition of Tel-fused MET in mouse BA/F3 cells
50039816	12	ChEMBL_820937 (CHEMBL2038982)	Inhibition of Tel-fused KIT in mouse BA/F3 cells
50039816	13	ChEMBL_820936 (CHEMBL2038981)	Inhibition of Tel-fused JNK2 in mouse BA/F3 cells
50039816	14	ChEMBL_820934 (CHEMBL2038875)	Inhibition of Tel-fused IGF1R in mouse BA/F3 cells
50039816	15	ChEMBL_820933 (CHEMBL2038874)	Inhibition of Tel-fused FMS in mouse BA/F3 cells
50039816	16	ChEMBL_820932 (CHEMBL2038873)	Inhibition of Tel-fused FLT3 in mouse BA/F3 cells
50039816	17	ChEMBL_820927 (CHEMBL2038868)	Inhibition of Tel-fused EPHB2 in mouse BA/F3 cells
50039816	18	ChEMBL_820926 (CHEMBL2038867)	Inhibition of Tel-fused EPHA3 in mouse BA/F3 cells
50039816	19	ChEMBL_820925 (CHEMBL2038866)	Inhibition of Tel-fused BMX in mouse BA/F3 cells
50039816	20	ChEMBL_820924 (CHEMBL2038865)	Inhibition of Tel-fused ALK in mouse BA/F3 cells
50039816	21	ChEMBL_820921 (CHEMBL2038862)	Inhibition of TRKC by HTRF assay
50039816	22	ChEMBL_820919 (CHEMBL2038860)	Inhibition of TRKA by HTRF assay
50039816	23	ChEMBL_820920 (CHEMBL2038861)	Inhibition of TRKB by HTRF assay
50039816	24	ChEMBL_821034 (CHEMBL2039221)	Inhibition of Tel-fused ROS in mouse BA/F3 cells
50039816	25	ChEMBL_820935 (CHEMBL2038876)	Inhibition of Tel-fused INSR in mouse BA/F3 cells
50039816	26	ChEMBL_821007 (CHEMBL2039194)	Inhibition of Tel-fused ZAP70 in mouse BA/F3 cells
50039816	27	ChEMBL_821011 (CHEMBL2039198)	Inhibition of c-Kit in human Mo7e cells
50039817	1	ChEMBL_821036 (CHEMBL2039223)	Inhibition of RGS8 interaction with Galpha0 protein by flow cytometry protein interaction assay
50039817	2	ChEMBL_821035 (CHEMBL2039222)	Inhibition of RGS4 interaction with Galpha0 protein by flow cytometry protein interaction assay
50039817	3	ChEMBL_821040 (CHEMBL2039366)	Inhibition of GSK3beta
50039818	1	ChEMBL_821042 (CHEMBL2039368)	Inhibition of recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis
50039818	2	ChEMBL_821043 (CHEMBL2039369)	Inhibition of soluble epoxide hydrolase using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to substrate addition measured every min for 15 mins by fluorometry
50039819	1	ChEMBL_821044 (CHEMBL2039370)	Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay
50039819	2	ChEMBL_821045 (CHEMBL2039371)	Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay
50039819	3	ChEMBL_821049 (CHEMBL2039375)	Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins
50039820	1	ChEMBL_821056 (CHEMBL2039382)	Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing chimeric G-protein alpha-subunit
50039821	1	ChEMBL_821066 (CHEMBL2039392)	Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method
50039821	2	ChEMBL_821067 (CHEMBL2039393)	Mixed type inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50039821	3	ChEMBL_821065 (CHEMBL2039391)	Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method
50039822	1	ChEMBL_821140 (CHEMBL2039682)	Inhibition of human recombinant GSK3beta
50039822	2	ChEMBL_821141 (CHEMBL2039683)	Inhibition of human recombinant GSK3beta incubated for 30 mins by Kinase Glo luminescent kinase assay
50039823	1	ChEMBL_821145 (CHEMBL2039687)	Inhibition of sheep placental cotyledons COX2
50039823	2	ChEMBL_821146 (CHEMBL2039688)	Inhibition of human COX2 expressed in baculovirus system
50039823	3	ChEMBL_821147 (CHEMBL2039689)	Inhibition of human COX2 measured after pre-incubation of enzyme with compound
50039823	4	ChEMBL_821148 (CHEMBL2039690)	Instantaneous inhibition of human COX2 measured immediately after incubation of enzyme with compound
50039823	5	ChEMBL_821142 (CHEMBL2039684)	Inhibition of sheep placental cotyledons COX1
50039824	1	ChEMBL_821152 (CHEMBL2039694)	Inhibition of COX1
50039824	2	ChEMBL_821151 (CHEMBL2039693)	Antagonist activity at VEGFR2
50039824	3	ChEMBL_821153 (CHEMBL2039695)	Inhibition of cathepsin L
50039824	4	ChEMBL_821154 (CHEMBL2039696)	Inhibition of cathepsin B
50039824	5	ChEMBL_821155 (CHEMBL2039697)	Inhibition of COX2
50039824	6	ChEMBL_821156 (CHEMBL2039698)	Antagonist activity at adenosine A1 receptor
50039825	1	ChEMBL_821157 (CHEMBL2039699)	Displacement of [3H]oxytocin from human oxytocin receptor
50039825	2	ChEMBL_821185 (CHEMBL2039727)	Inhibition of human CYP3A4 using 7-benzyloxyquinoline as substrate
50039825	3	ChEMBL_821184 (CHEMBL2039726)	Inhibition of human CYP3A4 using diethoxyfluorescein as substrate
50039825	4	ChEMBL_821183 (CHEMBL2039725)	Inhibition of human CYP2D6
50039825	5	ChEMBL_821182 (CHEMBL2039724)	Inhibition of human CYP2C19
50039825	6	ChEMBL_821181 (CHEMBL2039723)	Inhibition of human CYP2C9
50039825	7	ChEMBL_821180 (CHEMBL2039722)	Inhibition of human CYP1A2
50039825	8	ChEMBL_821175 (CHEMBL2039717)	Displacement of [3H]vasopressin from human vasopressin V2 receptor
50039825	9	ChEMBL_821174 (CHEMBL2039716)	Displacement of [3H]vasopressin from human vasopressin V1b receptor
50039825	10	ChEMBL_821173 (CHEMBL2039715)	Displacement of [3H]vasopressin from human vasopressin V1a receptor
50039825	11	ChEMBL_821172 (CHEMBL2039714)	Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis
50039826	1	ChEMBL_821275 (CHEMBL2039955)	Inhibition of AKT1
50039827	1	ChEMBL_821287 (CHEMBL2039967)	Inhibition of recombinant CDK2 using RbING as substrate after 2 hrs by luminometric assay
50039827	2	ChEMBL_821292 (CHEMBL2040122)	Inhibition of TYK2
50039827	3	ChEMBL_821288 (CHEMBL2039968)	Inhibition of recombinant JAK1 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay
50039827	4	ChEMBL_821298 (CHEMBL2040128)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS/MS analysis
50039827	5	ChEMBL_821299 (CHEMBL2040129)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50039827	6	ChEMBL_821302 (CHEMBL2040132)	Displacement of dofetilide from human ERG
50039827	7	ChEMBL_821318 (CHEMBL2040148)	Inhibition of CYP2C19 in human liver microsomes using omeprazole as substrate by LC-MS/MS analysis
50039827	8	ChEMBL_821289 (CHEMBL2040119)	Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay
50039827	9	ChEMBL_821290 (CHEMBL2040120)	Inhibition of recombinant JAK3 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay
50039827	10	ChEMBL_821291 (CHEMBL2040121)	Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay
50039827	11	ChEMBL_821316 (CHEMBL2040146)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50039827	12	ChEMBL_821317 (CHEMBL2040147)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50039827	13	ChEMBL_821319 (CHEMBL2040149)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by fluorescence detection assay
50039827	14	ChEMBL_821320 (CHEMBL2040150)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by fluorescence detection assay
50039827	15	ChEMBL_821329 (CHEMBL2040159)	Inhibition of CDK9
50039827	16	ChEMBL_821330 (CHEMBL2040160)	Inhibition of c-fms
50039828	1	ChEMBL_821679 (CHEMBL2038715)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay
50039828	2	ChEMBL_821680 (CHEMBL2038716)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay
50039828	3	ChEMBL_821681 (CHEMBL2038877)	Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay
50039828	4	ChEMBL_821682 (CHEMBL2038878)	Inhibition of mouse 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay
50039829	1	ChEMBL_821811 (CHEMBL2039255)	Inhibition of FGFR1
50039829	2	ChEMBL_821720 (CHEMBL2038916)	Inhibition of wild-type EGFR preincubated for 10 mins followed by incubation for 30 mins by fluorescence polarization assay
50039829	3	ChEMBL_821722 (CHEMBL2038918)	Inhibition of HER2 preincubated for 10 mins followed by incubation for 30 mins by fluorescence polarization assay
50039829	4	ChEMBL_821723 (CHEMBL2038919)	Inhibition of HER4 preincubated for 10 mins followed by incubation for 30 mins by fluorescence polarization assay
50039829	5	ChEMBL_821805 (CHEMBL2039249)	Inhibition of Abl
50039829	6	ChEMBL_821806 (CHEMBL2039250)	Inhibition of AMPKalpha1
50039829	7	ChEMBL_821807 (CHEMBL2039251)	Inhibition of Aurora A
50039829	8	ChEMBL_821808 (CHEMBL2039252)	Inhibition of CDK1/cyclin B
50039829	9	ChEMBL_821809 (CHEMBL2039253)	Inhibition of cKIT
50039829	10	ChEMBL_821810 (CHEMBL2039254)	Inhibition of FAK
50039829	11	ChEMBL_821812 (CHEMBL2039256)	Inhibition of Flt1
50039829	12	ChEMBL_821813 (CHEMBL2039257)	Inhibition of Flt3
50039829	13	ChEMBL_821814 (CHEMBL2039258)	Inhibition of IGF-1R
50039829	14	ChEMBL_821815 (CHEMBL2039259)	Inhibition of IR
50039829	15	ChEMBL_821816 (CHEMBL2039260)	Inhibition of JAK2
50039829	16	ChEMBL_821817 (CHEMBL2039261)	Inhibition of LKB1
50039829	17	ChEMBL_821818 (CHEMBL2039262)	Inhibition of MEK1
50039829	18	ChEMBL_821819 (CHEMBL2039263)	Inhibition of MET
50039829	19	ChEMBL_821820 (CHEMBL2039264)	Inhibition of PDGFRalpha
50039829	20	ChEMBL_821821 (CHEMBL2039265)	Inhibition of PDGFRbeta
50039829	21	ChEMBL_821822 (CHEMBL2039266)	Inhibition of Syk
50039829	22	ChEMBL_821824 (CHEMBL2039268)	Inhibition of PIM1
50039830	2	ChEMBL_821851 (CHEMBL2039421)	Inhibition of human RAD51-mediated DNA branch migration using [32P]-labeled 5'-joint molecules after 8 hrs by branch migration assay
50039831	1	ChEMBL_821949 (CHEMBL2039748)	Inhibition of human Tdp1 using 3'-phosphate-(4-methylumbelliferone)-thymidine as substrate after 180 mins by spectrophotometry
50039832	1	ChEMBL_820325 (CHEMBL2037747)	Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured every 3 mins by Ellman's assay
50039832	2	ChEMBL_820326 (CHEMBL2037748)	Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured every 3 mins by Ellman's assay
50039833	1	ChEMBL_820349 (CHEMBL2037692)	Inhibition of human iNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
50039833	2	ChEMBL_820347 (CHEMBL2037690)	Inhibition of human nNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
50039833	3	ChEMBL_820348 (CHEMBL2037691)	Inhibition of human eNOS expressed in baculovirus-infected insect sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline preincubated for 15 mins with compound measured after 45 mins by scintillation counting
50039833	4	ChEMBL_820352 (CHEMBL2037695)	Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting
50039833	5	ChEMBL_820353 (CHEMBL2037696)	Displacement of [3H]astemizole from human Erg expressed in HEK293 cells after 75 mins
50039833	6	ChEMBL_820354 (CHEMBL2037697)	Inhibition of CYP1A2
50039833	7	ChEMBL_820355 (CHEMBL2037698)	Inhibition of CYP2C9
50039833	8	ChEMBL_820356 (CHEMBL2037699)	Inhibition of CYP2C19
50039833	9	ChEMBL_820357 (CHEMBL2037700)	Inhibition of CYP3A4
50039833	10	ChEMBL_820373 (CHEMBL2037716)	Inhibition of CYP2D6
50039834	1	ChEMBL_820376 (CHEMBL2037719)	Agonist activity at human recombinant PPARgamma expressed in CHO cells cotransfected with pGL3-PPRE3-TK-luc reporter assessed as beta-galactosidase activity at after 24 hrs by luciferase based transactivation assay
50039835	1	ChEMBL_820572 (CHEMBL2040309)	Inhibition of human N-myristoyltransferase 1 using human pp60Src92-16 amino acids) as substrate
50039835	2	ChEMBL_820573 (CHEMBL2040310)	Inhibition of human N-myristoyltransferase 2 using human pp60Src92-16 amino acids) as substrate
50039836	1	ChEMBL_820601 (CHEMBL2040490)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells
50039836	2	ChEMBL_820589 (CHEMBL2040326)	Inhibition of CYP1A2
50039836	3	ChEMBL_820590 (CHEMBL2040327)	Inhibition of CYP2C9
50039836	4	ChEMBL_820591 (CHEMBL2040328)	Inhibition of CYP2C19
50039836	5	ChEMBL_820614 (CHEMBL2040503)	Inverse agonist activity at human histamine H3 receptor by [35S]-GTPgammaS binding assay
50039836	6	ChEMBL_820592 (CHEMBL2040329)	Inhibition of CYP2D6
50039836	7	ChEMBL_820593 (CHEMBL2040330)	Inhibition of CYP3A4
50039836	8	ChEMBL_820600 (CHEMBL2040489)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells
50039837	1	ChEMBL_821614 (CHEMBL2038569)	Binding affinity to human dopamine D5 receptor
50039837	2	ChEMBL_821615 (CHEMBL2038570)	Binding affinity to human histamine H2 receptor
50039837	3	ChEMBL_821616 (CHEMBL2038571)	Binding affinity to human muscarinic M3 receptor
50039838	1	ChEMBL_821653 (CHEMBL2038689)	Inhibition of AKR1C3-mediated [14C]farnesal metabolism in human MCF7 cells incubated for 2 hrs prior to substrate addition measured after 6 hrs
50039838	2	ChEMBL_821630 (CHEMBL2038585)	Inhibition of human recombinant AKR1C2 expressed in Escherichia coli using S-tetralol as substrate by fluorometry
50039838	3	ChEMBL_821631 (CHEMBL2038586)	Inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry
50039838	4	ChEMBL_821632 (CHEMBL2038587)	Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry
50039838	5	ChEMBL_821640 (CHEMBL2038595)	Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry
50039838	6	ChEMBL_821641 (CHEMBL2038677)	Noncompetitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry in presence of NADP+
50039838	7	ChEMBL_821629 (CHEMBL2038584)	Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli using S-tetralol as substrate by fluorometry
50039838	8	ChEMBL_821661 (CHEMBL2038697)	Inhibition of human AKR1C3 using S-(+)-1,2,3,4-tetrahydro-1-naphthol as substrate
50039838	9	ChEMBL_821642 (CHEMBL2038678)	Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using NADP+ linked S-tetralol as substrate by fluorometry
50039838	10	ChEMBL_821660 (CHEMBL2038696)	Inhibition of human GST-tagged 17betaHSD5 expressed in Escherichia coli by radiometric assay
50039839	1	ChEMBL_821371 (CHEMBL2040354)	Competitive inhibition of clostridium botulinum Botulinum neurotoxin type A light chain by RP-HPLC analysis
50039840	1	ChEMBL_821405 (CHEMBL2037806)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting
50039840	2	ChEMBL_821406 (CHEMBL2037807)	Displacement of [3H]Citalopram from human SERT by liquid scintillation counting
50039840	3	ChEMBL_821407 (CHEMBL2037808)	Displacement of [3H]Ketanserin from human 5HT2A receptor by liquid scintillation counting
50039840	4	ChEMBL_821409 (CHEMBL2037810)	Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation counting
50039840	5	ChEMBL_820694 (CHEMBL2037965)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
50039840	6	ChEMBL_820695 (CHEMBL2037966)	Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting
50039840	7	ChEMBL_821408 (CHEMBL2037809)	Binding affinity to human 5HT2C receptor by radioligand displacement assay
50039840	8	ChEMBL_820696 (CHEMBL2037967)	Displacement of [3H]GBR12935 from human DAT by liquid scintillation assay
50039840	9	ChEMBL_820697 (CHEMBL2037968)	Displacement of [3H]Pyrilamine from human H1 histamine receptor by liquid scintillation assay
50039840	10	ChEMBL_820698 (CHEMBL2037969)	Displacement of [3H]Nisoxetine from human NET by liquid scintillation assay
50039841	1	ChEMBL_820717 (CHEMBL2038122)	Transactivation activity at human PPARgamma expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50039841	2	ChEMBL_820718 (CHEMBL2038123)	Transactivation activity at human PPARdelta expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50039841	3	ChEMBL_820748 (CHEMBL2038153)	Binding affinity at human GST-tagged PPARdelta ligand binding domain after 1 hr by time-resolved FRET analysis
50039841	4	ChEMBL_820716 (CHEMBL2038121)	Transactivation activity at human PPARalpha expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50039842	1	ChEMBL_821086 (CHEMBL2039412)	Inhibition of human PDK1 assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting
50039842	3	ChEMBL_821088 (CHEMBL2039491)	Inhibition of human PKC theta assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting
50039843	1	ChEMBL_821127 (CHEMBL2039530)	Inhibition of ACE from rat kidney using hippuryl-histidyl-leucine as substrate after 30 mins by UV/VIS spectrophotometry
50039844	2	ChEMBL_821468 (CHEMBL2037998)	Inhibition of HDAC1
50039844	3	ChEMBL_821469 (CHEMBL2037999)	Inhibition of HDAC3
50039844	4	ChEMBL_821470 (CHEMBL2038000)	Inhibition of HDAC8
50039844	5	ChEMBL_821471 (CHEMBL2038001)	Inhibition of HDAC4
50039844	6	ChEMBL_821472 (CHEMBL2038002)	Inhibition of HDAC6
50039844	7	ChEMBL_821473 (CHEMBL2038003)	Inhibition of HDAC10
50039844	8	ChEMBL_821474 (CHEMBL2038004)	Inhibition of SIRT1
50001237	5	ChEMBL_1712855 (CHEMBL4122904)	Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as potentiation of acetylcholine-induced calcium mobilization
50001237	1	ChEBML_1712853	Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-induced calcium mobilization after 4 hrs by CCF4-AM dye-based assay
50001237	2	ChEMBL_1712854 (CHEMBL4122903)	Positive allosteric modulation of human muscarinic acetylcholine M1 receptor
50001237	3	ChEMBL_1712853 (CHEMBL4122902)	Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-induced calcium mobilization after 4 hrs by CCF4-AM dye-based assay
50039846	1	ChEMBL_821478 (CHEMBL2038008)	Inhibition of N-terminal His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by luciferasse-luciferin-coupled chemiluminescence assay
50039846	2	ChEMBL_821479 (CHEMBL2038009)	Inhibition of N-terminal His-tagged human PIM2 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by luciferasse-luciferin-coupled chemiluminescence assay
50039846	3	ChEMBL_821480 (CHEMBL2038010)	Inhibition of N-terminal His-tagged human PIM3 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by luciferasse-luciferin-coupled chemiluminescence assay
50039846	4	ChEMBL_821507 (CHEMBL2038175)	Inhibition of c-Kit
50039846	5	ChEMBL_821508 (CHEMBL2038176)	Inhibition of Flt3
50039846	6	ChEMBL_821509 (CHEMBL2038177)	Inhibition of JAK2
50039846	7	ChEMBL_821511 (CHEMBL2038179)	Inhibition of KDR
50039846	8	ChEMBL_821512 (CHEMBL2038180)	Inhibition of CYP3A4
50039846	9	ChEMBL_821513 (CHEMBL2038181)	Inhibition of CYP2C8
50039846	10	ChEMBL_821514 (CHEMBL2038182)	Inhibition of CYP2C9
50039846	11	ChEMBL_821515 (CHEMBL2038183)	Inhibition of CYP2C19
50039846	12	ChEMBL_821517 (CHEMBL2038185)	Inhibition of CYP1A2
50039846	13	ChEMBL_821518 (CHEMBL2038186)	Inhibition of PIM1
50039846	14	ChEMBL_821519 (CHEMBL2038187)	Inhibition of PIM2
50039846	15	ChEMBL_821520 (CHEMBL2038188)	Inhibition of PIM3
50039846	16	ChEMBL_821516 (CHEMBL2038184)	Inhibition of CYP2D6
50039847	1	ChEMBL_821529 (CHEMBL2038197)	Displacement of [125I]T3 from human recombinant thyroid harmone receptor beta after 16 to 48 hrs by gamma-ray detection
50039847	2	ChEMBL_821530 (CHEMBL2038198)	Displacement of [125I]T3 from human recombinant thyroid harmone receptor alpha after 16 to 48 hrs by gamma-ray detection
50039848	1	ChEMBL_821538 (CHEMBL2038206)	Inhibition of Wistar/ST rat lung NAAA assessed as conversion of [14C]PEA to [14C]palmitic acid after 20 mins
50039849	1	ChEMBL_822771 (CHEMBL2040255)	Inhibition of Pim-1 using RSRHSSYPAGT as substrate after 30 mins
50039849	2	ChEMBL_822777 (CHEMBL2040261)	Inhibition of Pim-3 using RSRHSSYPAGT as substrate after 30 mins
50039850	1	ChEMBL_822927 (CHEMBL2038098)	Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counting
50039850	2	ChEMBL_822928 (CHEMBL2038099)	Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting
50039850	3	ChEMBL_822929 (CHEMBL2038100)	Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting
50039850	4	ChEMBL_822930 (CHEMBL2038101)	Agonist activity at rat EP2 receptor expressed in CHO cells assessed as cAMP production after 10 mins by radioimmunoassay
50039850	5	ChEMBL_822931 (CHEMBL2038102)	Agonist activity at rat EP4 receptor expressed in CHO cells assessed as cAMP production after 10 mins by radioimmunoassay
50039850	6	ChEMBL_822926 (CHEMBL2038097)	Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by scintillation counting
50039851	1	ChEMBL_823084 (CHEMBL2039155)	Inhibition of human recombinant HPGDS using PGH2 as substrate assessed as production of PGD2 preincubated for 10 mins prior substrate addition measured after 42 secs by TBA-based fluorescence assay
50039851	2	ChEMBL_823085 (CHEMBL2039156)	Inhibition of HPGDS
50039852	1	ChEMBL_822043 (CHEMBL2040206)	Displacement of [125I]NDPMSH from human MC4 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting
50039853	1	ChEMBL_822080 (CHEMBL2040395)	Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain striatum
50039853	2	ChEMBL_822082 (CHEMBL2040397)	Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain thalamus
50039853	3	ChEMBL_822084 (CHEMBL2040399)	Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain olfactory tubercle
50039853	4	ChEMBL_822076 (CHEMBL2040391)	Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain cortex
50039853	5	ChEMBL_822078 (CHEMBL2040393)	Binding affinity to NMDAR NR2B in Sprague-Dawley rat brain hippocampus
50039854	1	ChEMBL_822162 (CHEMBL2038022)	Inhibition of recombinant AKT1 using GSK3 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
50039854	3	ChEMBL_822164 (CHEMBL2038024)	Inhibition of recombinant FAK using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
50039854	4	ChEMBL_822165 (CHEMBL2038025)	Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
50039854	5	ChEMBL_822166 (CHEMBL2038026)	Inhibition of recombinant PLK1 using RBERCHKtide as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 mins by scintillation counting
50039855	1	ChEMBL_822273 (CHEMBL2038427)	Inhibition of human recombinant COX2 by enzymatic fluorescence assay
50039855	2	ChEMBL_822291 (CHEMBL2038445)	Inhibition of COX2
50039855	3	ChEMBL_822272 (CHEMBL2038426)	Inhibition of ovine COX1 by enzymatic fluorescence assay
50039856	1	ChEMBL_822292 (CHEMBL2038446)	Agonist activity at PPARalpha
50039856	2	ChEMBL_822293 (CHEMBL2038596)	Agonist activity at PPARdelta
50039856	3	ChEMBL_822294 (CHEMBL2038597)	Agonist activity at PPARgamma
50039857	1	ChEMBL_822295 (CHEMBL2038598)	Agonist activity at human GST-tagged FXR ligand binding domain assessed as recruitment of Src-1 peptide after 30 mins by AlphaScreen assay
50039858	1	ChEMBL_822345 (CHEMBL2038723)	Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay
50039858	2	ChEMBL_822349 (CHEMBL2038727)	Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and Gal4-VP16 transcription factor assessed as beta arrestin translocation after 5 hrs by Tango assay
50039859	1	ChEMBL_822385 (CHEMBL2038933)	Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay
50039859	2	ChEMBL_822386 (CHEMBL2038934)	Displacement of [3H]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay
50039859	3	ChEMBL_822394 (CHEMBL2038942)	Binding affinity to human histamine H1 receptor
50039859	4	ChEMBL_822395 (CHEMBL2038943)	Binding affinity to human histamine H2 receptor
50039859	5	ChEMBL_822396 (CHEMBL2038944)	Binding affinity to human histamine H4 receptor
50039859	6	ChEMBL_822401 (CHEMBL2038949)	Inhibition of CYP1A2
50039859	7	ChEMBL_822402 (CHEMBL2038950)	Inhibition of CYP2C9
50039859	8	ChEMBL_822403 (CHEMBL2038951)	Inhibition of CYP2C19
50039859	9	ChEMBL_822404 (CHEMBL2038952)	Inhibition of CYP2D6
50039859	10	ChEMBL_822405 (CHEMBL2038953)	Inhibition of CYP3A4
50039859	11	ChEMBL_822408 (CHEMBL2038956)	Inhibition of human ERG by patch clamp assay
50039860	1	ChEMBL_822510 (CHEMBL2039327)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting
50039860	2	ChEMBL_822517 (CHEMBL2039334)	Inhibition of 5HT6 receptor by radioligand displacement assay
50039860	3	ChEMBL_822518 (CHEMBL2039335)	Inhibition of 5HT7 receptor by radioligand displacement assay
50039861	1	ChEMBL_822530 (CHEMBL2039463)	Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry
50039861	2	ChEMBL_822527 (CHEMBL2039460)	Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry
50039861	3	ChEMBL_822544 (CHEMBL2039477)	Binding affinity to Actinomadura sp. R39 PBP
50039862	1	ChEMBL_822563 (CHEMBL2039583)	Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay
50039862	2	ChEMBL_822577 (CHEMBL2039597)	Non-competitive inhibition of rat TrxR1
50039863	1	ChEMBL_822607 (CHEMBL2039767)	Inhibition of BRAF
50039864	1	ChEMBL_822629 (CHEMBL2039789)	Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plot analysis
50039864	2	ChEMBL_822625 (CHEMBL2039785)	Inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate at 40 uM
50039865	1	ChEMBL_822689 (CHEMBL2040006)	Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs
50039865	5	ChEMBL_822703 (CHEMBL2040020)	Displacement of [125I]CGRP from mouse CGRP receptor
50039865	6	ChEMBL_822700 (CHEMBL2040017)	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs
50039865	8	ChEMBL_822725 (CHEMBL2040042)	Displacement of [125I]amylin from human AMY1 receptor expressed in COS7 cells after 3 hrs
50039865	9	ChEMBL_822726 (CHEMBL2040043)	Displacement of [125I]amylin from human AMY3 receptor expressed in COS7 cells after 3 hrs
50039865	10	ChEMBL_822727 (CHEMBL2040044)	Displacement of [125I]adrenomedullin from human AM1 receptor expressed in HEK293 cells
50039865	12	ChEMBL_822732 (CHEMBL2040049)	Inhibition of NaV1.5 ion channel by voltage clamp assay
50039865	14	ChEMBL_822731 (CHEMBL2040048)	Inhibition of Iks ion channel by voltage clamp assay
50039865	15	ChEMBL_822733 (CHEMBL2040050)	Inhibition of CaV1.2 ion channel by voltage clamp assay
50039865	16	ChEMBL_822700 (CHEMBL2040017)	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 3 hrs
50039865	17	ChEMBL_822738 (CHEMBL2040055)	Displacement of [125I]CGRP from CGRP receptor in rat spleen homogenate after 180 mins by gamma counting
50001237	4	ChEMBL_1712856 (CHEMBL4122905)	Positive allosteric modulation of rat muscarinic acetylcholine M1 receptor
50039866	2	ChEMBL_822741 (CHEMBL2040058)	Inhibition of APN in human ES2 cell surface using L-Leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 1 hr by UV/VIS spectrophotometry
50001242	1	ChEMBL_1712877 (CHEMBL4122926)	Inhibition of MALT1 in human OCI-LY3 cells assessed a decrease in BCL10 cleavage after 24 hrs by ELISA
50001242	2	ChEMBL_1712876 (CHEMBL4122925)	Inhibition of cIAP2 fused MALT1 (unknown origin) expressed in HEK293 cells assessed as suppression of NF-kB activation after 24 hrs by luciferase reporter gene assay
50001242	3	ChEMBL_1712875 (CHEMBL4122924)	Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by fluorescence assay
50039866	3	ChEMBL_822742 (CHEMBL2040059)	Inhibition of recombinant MMP2 using succinylated gelatin as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by UV/VIS spectrophotometry
50039867	1	ChEMBL_822749 (CHEMBL2040233)	Inhibition of FLAP in A23187-stimulated human neutrophils assessed as 5-LO product formation preincubated for 15 mins measured after 10 mins
50039868	1	ChEMBL_822859 (CHEMBL2037891)	Displacement of [3H]A585539 from alpha7 nAChR from rat brain membrane with no cerebellum/cortex
50039868	2	ChEMBL_822867 (CHEMBL2037899)	Displacement of [3H]dofetilide from human ERG
50039869	1	ChEMBL_822871 (CHEMBL2037903)	Antagonist activity at Estrogen receptor expressed in human Ishikawa cells assessed as inhibition of estradiol-induced increase in alkaline phosphatase after 3 days by spectrophotometry
50039870	1	ChEMBL_822967 (CHEMBL2038288)	Inhibition of rat DGAT1
50039870	2	ChEMBL_822968 (CHEMBL2038289)	Inhibition of mouse DGAT1
50039870	3	ChEMBL_822969 (CHEMBL2038290)	Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells
50039870	4	ChEMBL_822974 (CHEMBL2038295)	Inhibition of human Erg
50039870	5	ChEMBL_822975 (CHEMBL2038296)	Inhibition of CYP1A2
50039870	6	ChEMBL_822976 (CHEMBL2038297)	Inhibition of CYP2C9
50039870	7	ChEMBL_822977 (CHEMBL2038298)	Inhibition of CYP2C19
50039870	8	ChEMBL_822978 (CHEMBL2038299)	Inhibition of CYP2D6
50039870	9	ChEMBL_822979 (CHEMBL2038300)	Inhibition of CYP3A4
50039870	10	ChEMBL_822962 (CHEMBL2038283)	Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation counting
50039871	1	ChEMBL_823014 (CHEMBL2038474)	Inhibition of human ERG
50039871	2	ChEMBL_823013 (CHEMBL2038473)	Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis
50039871	3	ChEMBL_823012 (CHEMBL2038472)	Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay
50039871	4	ChEMBL_823011 (CHEMBL2038471)	Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane
50039871	5	ChEMBL_823023 (CHEMBL2038483)	Inhibition of CYP3A4
50039871	6	ChEMBL_823024 (CHEMBL2038484)	Inhibition of CYP2D6
50039871	7	ChEMBL_823109 (CHEMBL2039631)	Inhibition of human ERG by electrophysiology assay
50039871	8	ChEMBL_823111 (CHEMBL2039633)	Inhibition of MCP1-induced CCR2-mediated chemotaxis in human THP-1 cells
50039871	9	ChEMBL_823112 (CHEMBL2039634)	Antagonist activity at human CCR2 in human peripheral whole blood assessed as inhibition of MCP1-induced L-selectin shedding
50039871	10	ChEMBL_823113 (CHEMBL2039635)	Antagonist activity at mouse CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis
50039871	11	ChEMBL_823114 (CHEMBL2039636)	Antagonist activity at rat CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis
50039871	12	ChEMBL_823120 (CHEMBL2039642)	Inhibition of human CCR5 by FLIPR analysis
50039872	1	ChEMBL_823234 (CHEMBL2040652)	Plaque growth inhibition
50039872	2	ChEMBL_823233 (CHEMBL2040651)	Binding affinity to PA N-terminal domain (Competitive)
50039872	3	ChEMBL_823232 (CHEMBL2040650)	Binding affinity to PA N-terminal domain (Direct)
50039873	1	ChEMBL_823236 (CHEMBL2040654)	Inhibition of cap 1 ALMV primed Influenza transcriptase
50039873	2	ChEMBL_823237 (CHEMBL2040655)	Inhibition of Influenza replication
50039874	1	ChEMBL_823246 (CHEMBL2040664)	Inhibition of cap 1 ALMV primed Influenza transcriptase
50039875	1	ChEMBL_823247 (CHEMBL2040665)	Inhibition of cap 1 ALMV primed Influenza transcriptase
50039876	3	ChEMBL_824956 (CHEMBL2045475)	Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate
50001242	4	ChEMBL_1712878 (CHEMBL4122927)	Inhibition of MALT1 in PMA-stimulated human Jurkat T cells assessed as reduction in IL2 level pretreated for 30 mins followed by PMA-stimulation measured after 5.5 hr by bioluminescence assay
50039876	4	ChEMBL_825077 (CHEMBL2045871)	Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli using Woodtide as substrate and [gamma-33P] after 30 mins by scintillation counting
50039877	1	ChEMBL_825834 (CHEMBL2044563)	Inhibition of human skeletal muscle AMPD1
50039877	2	ChEMBL_825833 (CHEMBL2044562)	Inhibition of human recombinant AMPD3
50039877	3	ChEMBL_825837 (CHEMBL2044566)	Inhibition of human recombinant AMPD3-1b expressed in Sf9 cells
50039878	1	ChEMBL_825853 (CHEMBL2044730)	Inhibition of human ERG
50039879	1	ChEMBL_825874 (CHEMBL2044751)	Inhibition of ALK
50039879	2	ChEMBL_825876 (CHEMBL2044753)	Inhibition of insulin receptor
50039879	3	ChEMBL_825873 (CHEMBL2044750)	Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells
50039879	4	ChEMBL_823303 (CHEMBL2046142)	Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells in presence of mouse plasma
50039880	1	ChEMBL_825929 (CHEMBL2044953)	Inhibition of MMP9
50039881	1	ChEMBL_825943 (CHEMBL2044967)	Displacement of [125I]-SDF-1alpha from CXCR4 receptor expressed in HEK293 cells after 1 hr by scintillation counting
50039882	1	ChEMBL_823371 (CHEMBL2046030)	Inhibition of CYP1A2
50039882	2	ChEMBL_823372 (CHEMBL2046031)	Inhibition of CYP2C19
50039882	3	ChEMBL_823373 (CHEMBL2046032)	Inhibition of CYP2C8
50039882	4	ChEMBL_823374 (CHEMBL2046033)	Inhibition of CYP2C9
50039882	5	ChEMBL_823375 (CHEMBL2046034)	Inhibition of CYP2D6
50039882	6	ChEMBL_823376 (CHEMBL2046035)	Inhibition of CYP3A4
50039882	7	ChEMBL_823385 (CHEMBL2046044)	Inhibition of aldose reductase
50039882	8	ChEMBL_825949 (CHEMBL2044973)	Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells after 90 mins by scintillation proximity assay
50039882	9	ChEMBL_825950 (CHEMBL2044974)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change pretreated for 20 mins measured after 1 hr by flow cytometric analysis
50039882	10	ChEMBL_825951 (CHEMBL2044975)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil chemotaxis
50039883	1	ChEMBL_823391 (CHEMBL2046050)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 3 mins prior to NAPDH-addition measured after 30 mins by RP-HPLC analysis
50039883	2	ChEMBL_823392 (CHEMBL2046051)	Inhibition of CYP3A4 in human liver microsomes using triazolam as substrate incubated for 3 mins prior to NAPDH-addition measured after 30 mins by RP-HPLC analysis
50039883	3	ChEMBL_823393 (CHEMBL2046052)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 3 mins prior to NAPDH-addition measured after 30 mins by RP-HPLC analysis
50039883	4	ChEMBL_823394 (CHEMBL2046053)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 3 mins prior to NAPDH-addition measured after 30 mins by RP-HPLC analysis
50039884	1	ChEMBL_823414 (CHEMBL2046082)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum
50039884	2	ChEMBL_823418 (CHEMBL2046086)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells
50039884	3	ChEMBL_823419 (CHEMBL2046087)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor
50039884	4	ChEMBL_823425 (CHEMBL2046093)	Agonist activity at human adenosine A2A receptor expressed in CHO-K1 cells by cAMP accumulation assay
50039884	5	ChEMBL_823416 (CHEMBL2046084)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor
50039884	6	ChEMBL_823412 (CHEMBL2046071)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex
50039884	7	ChEMBL_823413 (CHEMBL2046072)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor
50039884	8	ChEMBL_823415 (CHEMBL2046083)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum
50039884	9	ChEMBL_823417 (CHEMBL2046085)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay
50039884	10	ChEMBL_825975 (CHEMBL2045140)	Displacement of [125I]-AB-MECA from human recombinant adenosine A3 receptor
50039885	1	ChEMBL_825990 (CHEMBL2045155)	Inhibition of CYP1A2
50039885	2	ChEMBL_825991 (CHEMBL2045156)	Inhibition of CYP2C8
50039885	3	ChEMBL_825992 (CHEMBL2045157)	Inhibition of CYP2C9
50039885	4	ChEMBL_825993 (CHEMBL2045158)	Inhibition of CYP2C19
50039885	5	ChEMBL_825994 (CHEMBL2045159)	Inhibition of CYP2D6
50039885	6	ChEMBL_825995 (CHEMBL2045160)	Inhibition of CYP3A4
50039885	7	ChEMBL_825977 (CHEMBL2045142)	Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay
50039886	1	ChEMBL_823429 (CHEMBL2046097)	Inhibition of p38alpha MAPK after 40 mins by scintillation counting
50039887	1	ChEMBL_826070 (CHEMBL2045501)	Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting
50039887	2	ChEMBL_826071 (CHEMBL2045502)	Displacement of [3H]RTX from human TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting
50039887	3	ChEMBL_826074 (CHEMBL2045505)	Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by fluorometric analysis
50039887	4	ChEMBL_826076 (CHEMBL2045507)	Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by fluorometric analysis
50039887	5	ChEMBL_826077 (CHEMBL2045508)	Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in pH-induced intracellular 45Ca2+ uptake after 1 hr by fluorometric analysis
50039888	1	ChEMBL_826082 (CHEMBL2045513)	Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting
50039888	2	ChEMBL_826081 (CHEMBL2045512)	Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting
50039888	3	ChEMBL_826080 (CHEMBL2045511)	Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO cells after 120 mins by scintillation counting
50039888	4	ChEMBL_826079 (CHEMBL2045510)	Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO cells after 120 mins by scintillation counting
50039888	5	ChEMBL_826078 (CHEMBL2045509)	Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO cells after 120 mins by scintillation counting
50039889	1	ChEMBL_823517 (CHEMBL2046255)	Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay
50039889	2	ChEMBL_823518 (CHEMBL2046256)	Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay
50039889	3	ChEMBL_823520 (CHEMBL2045963)	Inhibition of recombinant AKR1C1 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay
50039889	4	ChEMBL_823521 (CHEMBL2045964)	Inhibition of recombinant AKR1C4 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay
50039889	5	ChEMBL_823522 (CHEMBL2045965)	Inhibition of recombinant AKR1B1 assessed as NADP+ dependent reduction of DL-glyceraldehyde by fluorescence assay
50039889	6	ChEMBL_823530 (CHEMBL2045973)	Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincubated for 5 mins
50039889	7	ChEMBL_823524 (CHEMBL2045967)	Inhibition of recombinant AKR1B10 assessed as NADP+ dependent reduction of DL-glyceraldehyde by fluorescence assay
50039890	1	ChEMBL_823545 (CHEMBL2045988)	Inhibition of PHD3
50039890	2	ChEMBL_823544 (CHEMBL2045987)	Inhibition of PHD1
50039890	3	ChEMBL_823583 (CHEMBL2044584)	Inhibition of Cav1.2
50039890	4	ChEMBL_823543 (CHEMBL2045986)	Inhibition of FLAG-tagged PHD2 expressed in baculovirus infected insect sf9 cells using biotinyl-DLDLEMLAPYIPMDDDFQL as substrate preincubated with compound for 30 mins measured after 2 hrs by time resolved fluorescence analysis
50039890	5	ChEMBL_823549 (CHEMBL2045992)	Binding affinity to human Erg
50039890	6	ChEMBL_823567 (CHEMBL2046010)	Inhibition of CYP3A4
50039890	7	ChEMBL_823568 (CHEMBL2046011)	Inhibition of CYP2C9
50039890	8	ChEMBL_823569 (CHEMBL2046012)	Inhibition of CYP2D6
50039890	9	ChEMBL_823584 (CHEMBL2044585)	Inhibition of PXR
50039891	1	ChEMBL_823605 (CHEMBL2044606)	Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by radioflow detection assay
50039891	2	ChEMBL_823597 (CHEMBL2044598)	Inhibition of human placenta microsomal 17betaHSD2 using [3H]E2 as substrate after 20 mins by radioflow detection assay
50039891	3	ChEMBL_823596 (CHEMBL2044597)	Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay
50039892	1	ChEMBL_823670 (CHEMBL2044829)	Competitive inhibition of human recombinant PDE7A1 using 5 nM to 2 uM cAMP as substrate by Lineweaver-Burk plot analysis
50039892	2	ChEMBL_823671 (CHEMBL2044986)	Inhibition of human recombinant PDE7A1-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay
50039892	3	ChEMBL_823679 (CHEMBL2044994)	Inhibition of human recombinant PDE3A-mediated [3H]cAMP hydrolysis after 20 mins by scintillation proximity assay
50039892	4	ChEMBL_823683 (CHEMBL2044998)	Inhibition of human recombinant PDE4B2 using fluorescein 3',5'-cyclic phosphate after 60 mins by IMAP fluorescence polarization assay
50039892	5	ChEMBL_823684 (CHEMBL2044999)	Inhibition of human recombinant PDE4D3 using fluorescein 3',5'-cyclic phosphate after 60 mins by IMAP fluorescence polarization assay
50039892	6	ChEMBL_823668 (CHEMBL2044827)	Inhibition of PDE7A1
50039893	1	ChEMBL_824043 (CHEMBL2043698)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50039894	1	ChEMBL_824216 (CHEMBL2044151)	Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method
50039894	2	ChEMBL_824219 (CHEMBL2044154)	Inhibition of Aurora A kinase by caliper method
50039894	4	ChEMBL_824231 (CHEMBL2044166)	Inhibition of ABL at 1 uM
50039894	5	ChEMBL_824233 (CHEMBL2044288)	Inhibition of FYN incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	6	ChEMBL_824235 (CHEMBL2044290)	Inhibition of LYN incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	7	ChEMBL_824237 (CHEMBL2044292)	Inhibition of CHK2 incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	8	ChEMBL_824239 (CHEMBL2044294)	Inhibition of MET incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	9	ChEMBL_824241 (CHEMBL2044296)	Inhibition of LCK incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	10	ChEMBL_824243 (CHEMBL2044298)	Inhibition of SRC incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	11	ChEMBL_824245 (CHEMBL2044300)	Inhibition of GSK3beta incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme
50039894	12	ChEMBL_824422 (CHEMBL2044861)	Inhibition of Nek2-mediated C-Nap1 phosphorylation in human U2OS cells after 3 hrs by immunofluorescence microscopy
50039894	13	ChEMBL_824217 (CHEMBL2044152)	Inhibition of Plk1 using 5-FAMRRRAGALMDASFEEQ- CONH2 as substrate after 75 mins by caliper method
50039894	14	ChEMBL_824218 (CHEMBL2044153)	Inhibition of MPS1 by caliper method
50039894	15	ChEMBL_824220 (CHEMBL2044155)	Inhibition of CDK2 by caliper method
50039895	1	ChEMBL_824434 (CHEMBL2044873)	Inhibition of human KV1.5 ion channel expressed in mouse L929 cells by whole cell patch clamp assay
50039895	2	ChEMBL_824455 (CHEMBL2045039)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50039895	3	ChEMBL_824460 (CHEMBL2045044)	Inhibition of KV4.3 ion channel
50039896	1	ChEMBL_824763 (CHEMBL2044690)	Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins
50039896	2	ChEMBL_824764 (CHEMBL2044691)	Agonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50039896	3	ChEMBL_824765 (CHEMBL2044692)	Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50039896	4	ChEMBL_824762 (CHEMBL2044689)	Agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as increase in intracellular cAMP level after 30 mins
50039897	1	ChEMBL_824789 (CHEMBL2044716)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50039898	1	ChEMBL_825128 (CHEMBL2043504)	Inhibition of human CYP3A4 in liver microsomes
50039898	2	ChEMBL_825129 (CHEMBL2043505)	Reversible inhibition of human CYP3A4 in liver microsomes by Dixon and Cornish-Bowden plot analysis
50039899	1	ChEMBL_825257 (CHEMBL2043889)	Inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis
50039899	2	ChEMBL_825258 (CHEMBL2043890)	Inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by fluorometric analysis
50039899	3	ChEMBL_825260 (CHEMBL2043892)	Noncompetitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039899	4	ChEMBL_825261 (CHEMBL2043893)	Noncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039899	5	ChEMBL_825262 (CHEMBL2043894)	Uncompetitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039899	6	ChEMBL_825263 (CHEMBL2043895)	Uncompetitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039899	7	ChEMBL_825264 (CHEMBL2043896)	Competitive inhibition of human recombinant cathepsin L expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039899	8	ChEMBL_825265 (CHEMBL2043897)	Competitive inhibition of human recombinant cathepsin V expressed in Pichia pastoris using Z-Phe-Arg-MCA as substrate by Lineweaver-Burk plot analysis
50039900	1	ChEMBL_825688 (CHEMBL2044105)	Inhibition of liver TDO
50039900	2	ChEMBL_825689 (CHEMBL2044106)	Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by discontinuous colorimetric method
50039900	3	ChEMBL_825690 (CHEMBL2044107)	Competitive inhibition of human purified TDO by Henri-Michaelis-Menten equation analysis
50039900	4	ChEMBL_825691 (CHEMBL2044108)	Inhibition of human purified TDO assessed as initial rate of L-Trp oxidation at 100 uM of substrate concentration
50039901	1	ChEMBL_825804 (CHEMBL2044533)	Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting
50039901	2	ChEMBL_825809 (CHEMBL2044538)	Inhibition of Hsp90 in human A2780 cells assessed as Hsp70 upregulation after 24 hrs by immunostaining method
50039902	1	ChEMBL_823698 (CHEMBL2045013)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured every 1 min by Ellman's assay
50039902	2	ChEMBL_823696 (CHEMBL2045011)	Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measured every 1 min by Ellman's assay
50039903	1	ChEMBL_823724 (CHEMBL2045194)	Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production for 2 hrs by DAF-FMDA dye based fluorometric assay
50039904	1	ChEMBL_824092 (CHEMBL2043837)	Inhibition of human recombinant caspase-3 catalytic domain using Ac-DEVD-pNA as substrate preincubated for 30 mins before substrate addition measured after 3 mins
50039905	1	ChEMBL_824504 (CHEMBL2045249)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting
50039905	2	ChEMBL_824506 (CHEMBL2045251)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting
50039905	3	ChEMBL_824508 (CHEMBL2045253)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting
50039906	1	ChEMBL_824644 (CHEMBL2045702)	Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting
50039907	1	ChEMBL_824647 (CHEMBL2045705)	Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addition by RP-HPLC method
50039907	2	ChEMBL_824650 (CHEMBL2045708)	Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC method
50039907	3	ChEMBL_824649 (CHEMBL2045707)	Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after 10 mins by RP-HPLC method
50039908	1	ChEMBL_824658 (CHEMBL2045823)	Inhibition of human CA4 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis
50039908	2	ChEMBL_824656 (CHEMBL2045714)	Noncompetitive inhibition of human CA1 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis
50039908	3	ChEMBL_824659 (CHEMBL2045824)	Inhibition of human CA6 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis
50039908	4	ChEMBL_824657 (CHEMBL2045715)	Inhibition of human CA2 using 4NPA as substrate for 3 mins by Lineweaver burk plot analysis
50039909	1	ChEMBL_824663 (CHEMBL2045828)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting
50039910	1	ChEMBL_824671 (CHEMBL2045836)	Inhibition of mouse recombinant iNOS activity assessed as conversion of [14C]-L-arginine to [14C]-L-citrulline by liquid scintillation counting
50039910	2	ChEMBL_824673 (CHEMBL2045838)	Inhibition of rat iNOS
50039910	3	ChEMBL_824674 (CHEMBL2045839)	Inhibition of human iNOS
50039911	1	ChEMBL_823808 (CHEMBL2045410)	Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Escherichia coli using Z-Phe-Arg-AMC as substrate incubated for 5 mins prior to substrate addition by spectrofluorometry
50039911	2	ChEMBL_823810 (CHEMBL2045412)	Inhibition of Trypanosoma cruzi cruzain
50039912	1	ChEMBL_823813 (CHEMBL2045529)	Modulation of full-length human pSG5-fused PPARgamma expressed in MG-63 cells co-expressing pGV-P2-PPRE after 24 hrs by luciferase reporter gene based transactivation assay
50039912	2	ChEMBL_823814 (CHEMBL2045530)	Modulation of human GAL4-fused PPARgamma LBD expressed in COS7 cells co-expressing pG5luc by luciferase reporter gene based transactivation assay
50039913	1	ChEMBL_824334 (CHEMBL2044476)	Inhibition of CYP2C19
50039913	2	ChEMBL_824328 (CHEMBL2044470)	Inhibition of rat DAT
50039913	3	ChEMBL_824329 (CHEMBL2044471)	Inhibition of rat DAT-mediated dopamine reuptake
50039913	4	ChEMBL_824331 (CHEMBL2044473)	Inhibition of rat NET-mediated norepinephrine reuptake
50039913	5	ChEMBL_824333 (CHEMBL2044475)	Inhibition of rat SERT-mediated serotonin reuptake
50039913	6	ChEMBL_824335 (CHEMBL2044477)	Inhibition of CYP3A4
50039913	7	ChEMBL_824336 (CHEMBL2044478)	Inhibition of CYP3A5
50039913	8	ChEMBL_824339 (CHEMBL2044629)	Inhibition of CYP2D6
50039913	9	ChEMBL_824341 (CHEMBL2044631)	Inhibition of CYP2C9
50039914	1	ChEMBL_824371 (CHEMBL2044661)	Inhibition of basal ATPase activity of Eg5 by coupled pyruvate kinase/lactate dehydrogenase assay
50039915	1	ChEMBL_824528 (CHEMBL2045273)	Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry
50039915	2	ChEMBL_824529 (CHEMBL2045274)	Inhibition of human factor 2a using chromogenic spectrozyme TH as substrate after 10 mins by spectrophotometry
50039915	3	ChEMBL_824530 (CHEMBL2045275)	Inhibition of human factor 7a using chromogenic spectrozyme 7a as substrate after 10 mins by spectrophotometry
50039915	4	ChEMBL_824531 (CHEMBL2045414)	Inhibition of human factor 9a using chromogenic spectrozyme 9a as substrate after 10 mins by spectrophotometry
50039915	5	ChEMBL_824533 (CHEMBL2045416)	Inhibition of factor 12a using chromogenic spectrozyme 12a as substrate after 10 mins by spectrophotometry
50039915	6	ChEMBL_824535 (CHEMBL2045418)	Inhibition of bovine alpha-chymotrypsin using chromogenic spectrozyme CTY as substrate after 10 mins by spectrophotometry
50039915	7	ChEMBL_824532 (CHEMBL2045415)	Inhibition of human factor 11a using chromogenic S2366 as substrate after 10 mins by spectrophotometry
50039916	1	ChEMBL_824546 (CHEMBL2045429)	Inhibition of glycogen phosphorylase b in human HepG2 cells after 3 hrs
50039916	2	ChEMBL_824545 (CHEMBL2045428)	Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b using Glc-1-P as substrate
50039916	3	ChEMBL_824549 (CHEMBL2045432)	Inhibition of glycogen phosphorylase b
50039917	1	ChEMBL_826565 (CHEMBL2050733)	Inhibition of human ERG
50039917	2	ChEMBL_826566 (CHEMBL2050734)	Inhibition of NaV1.5
50039918	1	ChEMBL_826599 (CHEMBL2050767)	Inhibition of rat recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs
50039918	2	ChEMBL_826598 (CHEMBL2050766)	Inhibition of human recombinant KAT2 assessed as conversion of L-kynurenine into kynurenic acid after 15 to 20 hrs
50039918	3	ChEMBL_826600 (CHEMBL2050768)	Inhibition of human KAT1
50039918	4	ChEMBL_826601 (CHEMBL2050769)	Inhibition of human KAT3
50001245	1	ChEMBL_1712905 (CHEMBL4122954)	Inhibition of human recombinant BACE1 catalytic domain in presence of FRET substrate
50039920	1	ChEMBL_826668 (CHEMBL2051012)	Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-glucosaminide method
50039920	2	ChEMBL_826669 (CHEMBL2051013)	Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-glucosaminide method in presence of 10% human serum
50039920	3	ChEMBL_826675 (CHEMBL2051019)	Inhibition of human recombinant ICAM-1 adhesion into human Jurkat cells after 1 hr
50039920	4	ChEMBL_826677 (CHEMBL2051021)	Inhibition of CYP3A4
50039920	5	ChEMBL_826678 (CHEMBL2051022)	Inhibition of CYP2C9
50039920	6	ChEMBL_826679 (CHEMBL2051023)	Inhibition of human ERG
50039921	1	ChEMBL_826696 (CHEMBL2051143)	Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting
50039921	2	ChEMBL_826695 (CHEMBL2051142)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting
50039922	1	ChEMBL_826719 (CHEMBL2051166)	Binding affinity to ERalpha ligand binding domain
50039922	2	ChEMBL_826711 (CHEMBL2051158)	Displacement of [3H]estradiol from ERalpha after 4 hrs by scintillation counting
50039922	3	ChEMBL_826712 (CHEMBL2051159)	Displacement of [3H]estradiol from ERbeta after 4 hrs by scintillation counting
50039923	1	ChEMBL_826725 (CHEMBL2051172)	Displacement of [125I]peptideYY from NPY1 receptor in human SK-N-MC cells after 1 hr by scintillation counting
50039924	1	ChEMBL_826807 (CHEMBL2051428)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting
50039924	2	ChEMBL_826808 (CHEMBL2051429)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF assay
50039924	3	ChEMBL_826804 (CHEMBL2051425)	Inhibition of human recombinant nNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50039924	4	ChEMBL_826805 (CHEMBL2051426)	Inhibition of human recombinant eNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50039924	5	ChEMBL_826806 (CHEMBL2051427)	Inhibition of human recombinant iNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50039925	1	ChEMBL_826811 (CHEMBL2051432)	Inhibition of SFLLRN-NH2-stimulated PAR1-mediated platelet activation in platelet-rich human plasma assessed as surface expression of P-selectin after 20 mins by flow cytometry
50039926	1	ChEMBL_826832 (CHEMBL2051549)	Binding affinity to Escherichia coli K12 MG1655 His6x-tagged MltB lytic transglycosylase assessed as intrinsic fluorescence of tryptophan and/or tyrosine residues of enzyme
50039926	2	ChEMBL_826893 (CHEMBL2051708)	Competitive inhibition of Pseudomonas aeruginosa PAO1 NagZ using PNP-GlcNAc as substrate assessed as release of 4-nitrophenolate ion after 4 mins by spectrophotometric analysis
50039927	1	ChEMBL_826901 (CHEMBL2051716)	Inhibition of N-terminus His6-tagged human kallikrein 6 expressed in baculovirus infected insect sf9 cells using Boc-Phe-Ser-Arg-AMC as substrate by fluorescence analysis
50039928	1	ChEMBL_826911 (CHEMBL2049774)	Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured after 30 mins
50039928	2	ChEMBL_826912 (CHEMBL2049775)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins before substrate addition by Ellman's method
50039928	3	ChEMBL_826910 (CHEMBL2049773)	Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins
50039928	4	ChEMBL_826908 (CHEMBL2049771)	Inhibition of human recombinant FAAH in assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measured after 30 mins
50039928	5	ChEMBL_826907 (CHEMBL2049770)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 120 mins before substrate addition by Ellman's method
50039928	6	ChEMBL_826914 (CHEMBL2049777)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 90 mins before substrate addition by Ellman's method
50039928	7	ChEMBL_826909 (CHEMBL2049772)	Inhibition of human AChE
50039928	8	ChEMBL_826913 (CHEMBL2049776)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 90 mins before substrate addition by Ellman's method
50039929	1	ChEMBL_827028 (CHEMBL2050092)	Inhibition of human recombinant MMP14 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	2	ChEMBL_827023 (CHEMBL2050087)	Inhibition of human recombinant MMP7 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	3	ChEMBL_827021 (CHEMBL2050085)	Inhibition of human recombinant MMP2 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	4	ChEMBL_827022 (CHEMBL2050086)	Inhibition of human recombinant MMP3 using MCAArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(DNP)-NH2 as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	5	ChEMBL_827020 (CHEMBL2050084)	Inhibition of human recombinant MMP1 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	6	ChEMBL_827024 (CHEMBL2050088)	Inhibition of human recombinant MMP8 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	7	ChEMBL_827025 (CHEMBL2050089)	Inhibition of human recombinant MMP9 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	8	ChEMBL_827026 (CHEMBL2050090)	Inhibition of human recombinant MMP12 using MCA-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	9	ChEMBL_827027 (CHEMBL2050091)	Inhibition of human recombinant MMP13 using MCA-Pro-Cha-Gly-Nva-His-Ala-Dpa-NH2 as substrate preincubated for 10 mins measured by fluorescence analysis
50039929	10	ChEMBL_827029 (CHEMBL2050093)	Inhibition of human recombinant TACE using MCA-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate preincubated for 10 mins measured by fluorescence analysis
50001245	2	ChEMBL_1712906 (CHEMBL4122955)	Inhibition of BACE1 (unknown origin) expressed in CHO cells co-expressing human APP751 assessed as decrease in amyloid beta 40 levels after 24 hrs by MSD electrochemiluminescence assay
50039930	1	ChEMBL_827136 (CHEMBL2050420)	Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescence analysis
50039930	2	ChEMBL_827135 (CHEMBL2050419)	Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescence analysis
50039930	3	ChEMBL_827139 (CHEMBL2050423)	Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)
50039930	4	ChEMBL_827144 (CHEMBL2050428)	Inhibition of full length N-terminal His6-tagged human DNMT1 after 1 hr by fluorescence analysis
50039930	5	ChEMBL_827162 (CHEMBL2050446)	Inhibition of semi-purified DNMT1
50039930	6	ChEMBL_827140 (CHEMBL2050424)	Inhibition of human recombinant HDAC7 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescence analysis
50039930	7	ChEMBL_827141 (CHEMBL2050425)	Inhibition of human recombinant HDAC8 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescence analysis
50039931	1	ChEMBL_827185 (CHEMBL2050519)	Inhibition of wild type B-raf in presence of 1 mM ATP
50039931	2	ChEMBL_827186 (CHEMBL2050520)	Inhibition of wild type C-raf in presence of 1 mM ATP
50039931	3	ChEMBL_826107 (CHEMBL2049548)	Inhibition of CYP2C9
50039932	1	ChEMBL_826118 (CHEMBL2049559)	Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scintillation counting
50039933	2	ChEMBL_826121 (CHEMBL2049562)	Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis
50039933	4	ChEMBL_826125 (CHEMBL2049566)	Inhibition of CYP3A4
50001141	1	ChEMBL_1712914 (CHEMBL4122963)	Inhibition of full-length human SGLT2 expressed in CHO cells assessed as decrease in [14C]-methyl alpha-D-glucopyranoside uptake after 1 hr by liquid scintillation counting method
50001222	1	ChEMBL_1712922 (CHEMBL4122971)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from recombinant His6-tagged human KDM5A (PHD3) (1542 to 1660 residues) expressed in Escherichia coli 2(DE3)pLysS Rosetta competent cells preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	2	ChEMBL_1712927 (CHEMBL4122976)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	3	ChEBML_1712928	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	11	ChEMBL_1712933 (CHEMBL4122982)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD-JmjC) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	6	ChEBML_1712930	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	7	ChEMBL_1712930 (CHEMBL4122979)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	8	ChEBML_1712933	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7B (PHD-JmjC) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	9	ChEMBL_1712923 (CHEMBL4122972)	Inhibition of KDM5A (M1 to L801 residues) PHD2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by peptide addition measured after 3 mins by MALDI-TOF-MS analysis
50001222	4	ChEBML_1712922	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from recombinant His6-tagged human KDM5A (PHD3) (1542 to 1660 residues) expressed in Escherichia coli 2(DE3)pLysS Rosetta competent cells preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	12	ChEMBL_1712928 (CHEMBL4122977)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	13	ChEMBL_1712925 (CHEMBL4122974)	Inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity preincubated for 10 mins followed by peptide addition measured after 4 mins by MALDI-TOF-MS analysis
50001222	14	ChEMBL_1712926 (CHEMBL4122975)	Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay
50001222	10	ChEMBL_1712921 (CHEMBL4122970)	Displacement of H3K4me3 binding to Halo-tagged GST-fused KDM5A PHD3 domain (unknown origin) expressed in Escherichia coli by HaloTag-based peptide displacement assay
50001222	5	ChEMBL_1712924 (CHEMBL4122973)	Mixed type inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity using H3(1-21)K4me3 peptide as substrate measured every 30 seconds over 25 mins by formaldehyde dehydrogenase coupled activity assay based Michaelis-Menten kinetic plot analysis
50039934	1	ChEMBL_826175 (CHEMBL2049616)	Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB translocation after 12 hrs by secretory alkaline phosphatase reporter gene assay
50039935	1	ChEMBL_826182 (CHEMBL2049623)	Displacement of [3H]-Ro 41-1049 from MAO-A receptor in rat cerebral cortex
50039935	2	ChEMBL_826183 (CHEMBL2049624)	Displacement of [3H]-Ro 16-6491 from MAO-B receptor in rat cerebral cortex
50039936	1	ChEMBL_826196 (CHEMBL2049637)	Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate incubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting
50039936	2	ChEMBL_826197 (CHEMBL2049638)	Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by scintillation counting
50039936	3	ChEMBL_826199 (CHEMBL2049640)	Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 20 mins by liquid scintillation counting
50039936	4	ChEMBL_826200 (CHEMBL2049641)	Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 10 mins by scintillation counting
50039936	5	ChEMBL_826201 (CHEMBL2049642)	Inhibition of human FPPS using FPP and [3H]-IPP as substrate incubated for 30 mins prior to substrate addition measured after 20 mins by scintillation counting
50039936	6	ChEMBL_826202 (CHEMBL2049643)	Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting
50039936	7	ChEMBL_826203 (CHEMBL2049644)	Inhibition of human recombinant GGPPS using [14C]-IPP as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by scintillation counting
50039937	1	ChEMBL_826218 (CHEMBL2049659)	Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in HN9.10 cells after 3 hrs by scintillation counting
50039937	2	ChEMBL_826221 (CHEMBL2049662)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction after 3 mins
50039938	2	ChEMBL_826226 (CHEMBL2049237)	Antagonist activity at human P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced IL8 release pretreated for 30 mins before bzATP challenge measured after 30 mins by ELISA
50001223	1	ChEMBL_1712944 (CHEMBL4122993)	Inhibition of recombinant human N-terminal His6-tagged BRD4 by TR-FRET assay
50001223	2	ChEMBL_1712939 (CHEMBL4122988)	Inhibition of BRD4 (unknown origin)
50001239	1	ChEMBL_1712978 (CHEMBL4123027)	Inhibition of human recombinant C-terminal 6His-tagged DPP-4 expressed in insect cells incubated for 30 mins by TPE-KFPE fluorescent probe-based assay
50001246	1	ChEMBL_1712990 (CHEMBL4123039)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 1 hr by fluorescence analysis
50039940	1	ChEMBL_826237 (CHEMBL2049248)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
50039940	2	ChEMBL_826238 (CHEMBL2049249)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method
50039941	1	ChEMBL_826835 (CHEMBL2051552)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CHO cell membrane after 90 mins by liquid scintillation counting in the presence of 0.2% BSA
50039941	2	ChEMBL_826836 (CHEMBL2051553)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO cell membrane after 90 mins by liquid scintillation counting in the presence of 0.2% BSA
50039941	3	ChEMBL_826837 (CHEMBL2051554)	Agonist activity at human GPR40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the presence of 0.1% BSA
50039942	1	ChEMBL_826866 (CHEMBL2051681)	Inhibition of norA-mediated EtBr efflux in Staphylococcus aureus SA1199B overexpressing norA and expressing A116E GrlA mutation by fluorometry
50039943	1	ChEMBL_826884 (CHEMBL2051699)	Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay
50039943	2	ChEMBL_826886 (CHEMBL2051701)	Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay
50039943	3	ChEMBL_826885 (CHEMBL2051700)	Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay
50001250	1	ChEMBL_1713036 (CHEMBL4123085)	Inhibition of full length recombinant human HDAC1 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	2	ChEMBL_1713041 (CHEMBL4123090)	Inhibition of full length recombinant human HDAC7 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	3	ChEMBL_1713030 (CHEMBL4123079)	Inhibition of full length recombinant human HDAC11 expressed in baculoviral expression system using FAM-RHKK as substrate by electrophoretic mobility shift assay
50001250	4	ChEMBL_1713031 (CHEMBL4123080)	Inhibition of full length recombinant human HDAC6 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	5	ChEMBL_1713035 (CHEMBL4123084)	Inhibition of NanoLuc-tagged HDAC11 (unknown origin) by BRET assay
50001250	6	ChEMBL_1713039 (CHEMBL4123088)	Inhibition of full length recombinant human HDAC4 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	7	ChEMBL_1713037 (CHEMBL4123086)	Inhibition of full length recombinant human HDAC2 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	8	ChEMBL_1713040 (CHEMBL4123089)	Inhibition of full length recombinant human HDAC5 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	9	ChEMBL_1713042 (CHEMBL4123091)	Inhibition of full length recombinant human HDAC8 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	10	ChEMBL_1713044 (CHEMBL4123093)	Inhibition of full length recombinant human HDAC10 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50001250	11	ChEMBL_1713038 (CHEMBL4123087)	Inhibition of full length recombinant human HDAC3 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50039944	5	ChEMBL_827234 (CHEMBL2050633)	Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50001250	12	ChEMBL_1713043 (CHEMBL4123092)	Inhibition of full length recombinant human HDAC9 using fluorescent-labeled peptide as substrate by electrophoretic mobility shift assay
50039944	6	ChEMBL_827233 (CHEMBL2050632)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting
50001230	1	ChEMBL_1713065 (CHEMBL4123114)	Inhibition of BAPTA-induced Orai1-medited store operated calcium entry in human MDA-MB-231 cells pretreated for 15 mins followed by BAPTA addition by PBX dye based FLIPR assay
50039945	2	ChEMBL_827250 (CHEMBL2050649)	Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with compound for 5 mins measured after 10 mins by scintillation counting
50039945	3	ChEMBL_827249 (CHEMBL2050648)	Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with compound for 5 mins measured after 10 mins by scintillation counting
50039945	4	ChEMBL_826406 (CHEMBL2049457)	Inhibition of N-terminus FLAG-tagged ASK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	5	ChEMBL_826391 (CHEMBL2049402)	Inhibition of FGFR1 using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	6	ChEMBL_826408 (CHEMBL2049459)	Inhibition of N-terminus FLAG-tagged PLK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	7	ChEMBL_826409 (CHEMBL2049460)	Inhibition of N-terminus FLAG-tagged JNK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	8	ChEMBL_826410 (CHEMBL2049461)	Inhibition of N-terminus FLAG-tagged MEK5 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 30 mins by scintillation counting
50039945	9	ChEMBL_826411 (CHEMBL2049462)	Inhibition of N-terminus FLAG-tagged GSK3beta expressed in baculovirus expression system using [gamma-33P]-ATP measured after 30 mins by scintillation counting
50039945	10	ChEMBL_826412 (CHEMBL2049463)	Inhibition of N-terminus FLAG-tagged TTK expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	11	ChEMBL_826413 (CHEMBL2049464)	Inhibition of C-terminus FLAG-tagged IKKbeta expressed in baculovirus expression system using [gamma-33P]-ATP measured after 30 mins by scintillation counting
50039945	12	ChEMBL_826414 (CHEMBL2049465)	Inhibition of C-terminus FLAG-tagged MEKK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	13	ChEMBL_826416 (CHEMBL2049467)	Inhibition of FAK using ATP measured after 60 mins
50039945	14	ChEMBL_827265 (CHEMBL2050664)	Inhibition of Src using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	15	ChEMBL_827264 (CHEMBL2050663)	Inhibition of Lyn A using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	16	ChEMBL_827263 (CHEMBL2050662)	Inhibition of CSK using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	17	ChEMBL_827262 (CHEMBL2050661)	Inhibition of TIE2 using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	19	ChEMBL_827259 (CHEMBL2050658)	Inhibition of c-Met using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	20	ChEMBL_827260 (CHEMBL2050659)	Inhibition of N-terminus GST -fused MEK1 expressed using baculovirus infection system using [gamma-33P]ATP preincubated with compound for 5 mins measured after 30 mins by scintillation counting
50039945	21	ChEMBL_827258 (CHEMBL2050657)	Inhibition of LCK using ATP preincubated with compound for 5 mins measured after 30 mins
50039945	22	ChEMBL_827257 (CHEMBL2050656)	Inhibition of N-terminus peptide-tagged human recombinant HER4 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with compound for 5 mins measured after 10 mins by scintillation counting
50039945	23	ChEMBL_826392 (CHEMBL2049403)	Inhibition of FGFR3 using ATP preincubated with compound for 5 mins measured after 10 mins
50039945	24	ChEMBL_826393 (CHEMBL2049404)	Inhibition of N-terminus FLAG-tagged VEGFR2 expressed using baculovirus infection system after 10 mins
50039945	25	ChEMBL_826394 (CHEMBL2049405)	Inhibition of VEGFR1 using ATP preincubated with compound for 5 mins measured after 5 mins
50039945	26	ChEMBL_826395 (CHEMBL2049406)	Inhibition of PDGFRalpha using ATP measured after 30 mins
50039945	27	ChEMBL_826396 (CHEMBL2049407)	Inhibition of PDGFRbeta using ATP measured after 60 mins
50039945	28	ChEMBL_826397 (CHEMBL2049408)	Inhibition of c-kit using ATP measured after 20 mins
50039945	29	ChEMBL_826398 (CHEMBL2049409)	Inhibition of BMX using ATP measured after 10 mins
50039945	30	ChEMBL_826399 (CHEMBL2049410)	Inhibition of ZAP70 using ATP measured after 10 mins
50039945	31	ChEMBL_826400 (CHEMBL2049411)	Inhibition of IGFR1 using ATP measured after 20 mins
50039945	32	ChEMBL_826401 (CHEMBL2049412)	Inhibition of IR using ATP measured after 60 mins
50039945	33	ChEMBL_826402 (CHEMBL2049453)	Inhibition of N-terminus FLAG-tagged p38alpha expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	34	ChEMBL_826403 (CHEMBL2049454)	Inhibition of N-terminus FLAG-tagged Erk1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	35	ChEMBL_826404 (CHEMBL2049455)	Inhibition of N-terminus FLAG-tagged B-raf expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	36	ChEMBL_826405 (CHEMBL2049456)	Inhibition of N-terminus FLAG-tagged TAK1 expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039945	37	ChEMBL_826407 (CHEMBL2049458)	Inhibition of N-terminus FLAG-tagged PKCtheta expressed in baculovirus expression system using [gamma-33P]-ATP measured after 60 mins by scintillation counting
50039946	1	ChEMBL_826443 (CHEMBL2049494)	Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50039946	2	ChEMBL_826444 (CHEMBL2049495)	Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50039946	3	ChEMBL_826608 (CHEMBL2050862)	Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50039946	4	ChEMBL_826609 (CHEMBL2050863)	Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50039946	5	ChEMBL_826610 (CHEMBL2050864)	Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50039947	1	ChEMBL_826625 (CHEMBL2050879)	Inhibition of ABCG2-mediated mitoxantrone efflux expressed in HEK293 cells after 48 hrs by flow cytometric analysis
50039948	1	ChEMBL_826632 (CHEMBL2050886)	Inhibition of mPGES-1 derived from IL1beta and TNFalpha stimulated human HeLa cells microsomal fraction using PGH2 as substrate preincubated for 30 mins prior to substrate addition measured after 1 min by LC-MS/MS analysis
50039948	2	ChEMBL_826659 (CHEMBL2051003)	Inhibition of human recombinant mPGES-1
50039949	1	ChEMBL_826989 (CHEMBL2050053)	Inhibition of human FLT3
50039949	2	ChEMBL_826992 (CHEMBL2050056)	Inhibition of human c-kit
50039949	3	ChEMBL_826993 (CHEMBL2050057)	Inhibition of human FMS
50039949	4	ChEMBL_826994 (CHEMBL2050058)	Inhibition of human PDGFRalpha
50039949	5	ChEMBL_826995 (CHEMBL2050059)	Inhibition of human PDGFRbeta
50039949	6	ChEMBL_826996 (CHEMBL2050060)	Inhibition of human FLT1
50039949	7	ChEMBL_826997 (CHEMBL2050061)	Inhibition of human KDR
50039949	8	ChEMBL_826998 (CHEMBL2050062)	Inhibition of human FLT4
50039949	9	ChEMBL_826999 (CHEMBL2050063)	Inhibition of human Aurora A
50039949	10	ChEMBL_827000 (CHEMBL2050064)	Inhibition of human IGF-1R
50039949	11	ChEMBL_827001 (CHEMBL2050065)	Inhibition of human Met
50039949	12	ChEMBL_827002 (CHEMBL2050066)	Inhibition of human Pim1
50039949	13	ChEMBL_827003 (CHEMBL2050067)	Inhibition of human PLK1
50039949	14	ChEMBL_827004 (CHEMBL2050068)	Inhibition of human Ret
50039949	15	ChEMBL_827005 (CHEMBL2050069)	Inhibition of human Syk
50039949	16	ChEMBL_827006 (CHEMBL2050070)	Inhibition of human c-Raf
50039949	17	ChEMBL_827007 (CHEMBL2050071)	Inhibition of human EGFR
50039949	18	ChEMBL_827008 (CHEMBL2050072)	Inhibition of human JAK3
50039949	19	ChEMBL_827009 (CHEMBL2050073)	Inhibition of human Lck
50039950	1	ChEMBL_826311 (CHEMBL2049322)	Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay
50039951	1	ChEMBL_826732 (CHEMBL2051179)	Inhibition of human ERG expressed in HEK cells by patch clamp assay
50039952	1	ChEMBL_826735 (CHEMBL2051182)	Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay
50039952	2	ChEMBL_826737 (CHEMBL2051184)	Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of cap-dependent translation after 90 mins by luciferase reporter gene assay
50039953	1	ChEMBL_827107 (CHEMBL2050357)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells after 90 mins by liquid scintillation counting in the presence of 0.2% BSA
50039953	2	ChEMBL_827105 (CHEMBL2050355)	Agonist activity at human GP40 receptor expressed in CHO cells assessed as increase in intracellular calcium level for 90 secs by FLIPR assay in the presence of 0.1% BSA
50039953	3	ChEMBL_827108 (CHEMBL2050358)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells after 90 mins by liquid scintillation counting in the presence of 0.2%BSA
50039954	1	ChEMBL_827277 (CHEMBL2050780)	Inhibition of [3H]dopamine uptake at human DAT expressed in CHO cells after 10 mins by scintillation counting
50039954	2	ChEMBL_827275 (CHEMBL2050778)	Inhibition of [3H]noradrenaline uptake at human NET expressed in CHO cells after 10 mins by scintillation counting
50039954	3	ChEMBL_827273 (CHEMBL2050776)	Inhibition of [3H]serotonin uptake at human SERT expressed in CHO cells after 10 min by scintillation counting
50039954	4	ChEMBL_827294 (CHEMBL2050797)	Displacement of [3H]SCH23390 from dopamine D1 receptor
50039955	1	ChEMBL_827319 (CHEMBL2050902)	Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once every 15 seconds by whole cell patch clamp assay
50039956	1	ChEMBL_828454 (CHEMBL2049891)	Inhibition of Mps1
50039956	2	ChEMBL_828457 (CHEMBL2049894)	Inhibition of Aur A
50039956	4	ChEMBL_828459 (CHEMBL2049896)	Inhibition of PLK1
50039957	1	ChEMBL_827366 (CHEMBL2051036)	Inhibition of VKORC1
50039958	1	ChEMBL_828467 (CHEMBL2049904)	Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
50039958	2	ChEMBL_828469 (CHEMBL2049906)	Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
50039958	3	ChEMBL_828470 (CHEMBL2049907)	Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
50039958	4	ChEMBL_828471 (CHEMBL2049908)	Agonist activity against human S1P1 by beta arrestin recruitment assay
50039958	5	ChEMBL_828468 (CHEMBL2049905)	Agonist activity against human S1P2 by beta arrestin recruitment assay
50039958	6	ChEMBL_828472 (CHEMBL2049909)	Agonist activity against human S1P3 by beta arrestin recruitment assay
50039958	7	ChEMBL_828474 (CHEMBL2049911)	Agonist activity against human S1P4 by beta arrestin recruitment assay
50039958	8	ChEMBL_828475 (CHEMBL2049912)	Agonist activity against human S1P5 by beta arrestin recruitment assay
50039958	9	ChEMBL_828494 (CHEMBL2050021)	Inhibition of CYP3A4
50039958	10	ChEMBL_828495 (CHEMBL2050022)	Inhibition of CYP2D6
50039958	11	ChEMBL_828496 (CHEMBL2050023)	Inhibition of CYP2C9
50039958	12	ChEMBL_828497 (CHEMBL2050024)	Inhibition of CYP2C19
50039958	13	ChEMBL_828498 (CHEMBL2050025)	Inhibition of CYP1A2
50039958	14	ChEMBL_828499 (CHEMBL2050026)	Inhibition of human ERG by astemizole assay
50039958	15	ChEMBL_828500 (CHEMBL2050027)	Inhibition of human ERG by patch clamp assay
50039959	1	ChEMBL_827403 (CHEMBL2051073)	Inhibition of Staphylococcus aureus ATCC 6538p recombinant SrtA
50039959	2	ChEMBL_827404 (CHEMBL2051074)	Inhibition of Candida albicans recombinant ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry
50039960	1	ChEMBL_827410 (CHEMBL2051080)	Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture before addition of BFC substrate by fluorometric assay
50039960	2	ChEMBL_827406 (CHEMBL2051076)	Inhibition of human SGLT2 expressed in CHO-K1 cells by [14C]AMG uptake assay
50039960	3	ChEMBL_827409 (CHEMBL2051079)	Inhibition of CYP3A4 using BFC substrate in which compound added to reaction mixture simultaneously with BFC substrate by fluorometric assay
50039960	4	ChEMBL_827407 (CHEMBL2051077)	Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay
50039961	1	ChEMBL_827437 (CHEMBL2051216)	Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay
50039961	2	ChEMBL_827438 (CHEMBL2051217)	Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay
50039961	3	ChEMBL_827434 (CHEMBL2051213)	Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay
50039961	4	ChEMBL_827433 (CHEMBL2051212)	Inhibition of human recombinant MMP1 catalytic domain incubated for 20 mins by fluorimetric assay
50039961	5	ChEMBL_827435 (CHEMBL2051214)	Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay
50039961	6	ChEMBL_827436 (CHEMBL2051215)	Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay
50039962	1	ChEMBL_828548 (CHEMBL2050195)	Binding affinity to DAT
50039962	2	ChEMBL_828549 (CHEMBL2050196)	Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by competitive binding assay
50039963	1	ChEMBL_827456 (CHEMBL2051313)	Inhibition of GSK3B in human Rd cells
50039963	2	ChEMBL_827455 (CHEMBL2051312)	Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method
50039964	1	ChEMBL_827488 (CHEMBL2051345)	Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA
50039964	2	ChEMBL_827492 (CHEMBL2051349)	Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA
50039965	1	ChEMBL_827497 (CHEMBL2051354)	Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide substrate assessed as formation of dansylated lipid I incubated for 3 to 4 hrs by fluorometric assay
50039966	1	ChEMBL_827538 (CHEMBL2051479)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting
50039966	2	ChEMBL_827539 (CHEMBL2051480)	Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting
50039966	3	ChEMBL_827540 (CHEMBL2051481)	Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting
50039967	1	ChEMBL_827549 (CHEMBL2051577)	Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid preincubated with inhibitor for 30 mins measured after 15 mins by fluorescence analysis
50039967	2	ChEMBL_827550 (CHEMBL2051578)	Inhibition of Influenza A virus (A/udorn/1972(H3N2)) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid preincubated with inhibitor for 30 mins measured after 15 mins by fluorescence analysis
50039967	3	ChEMBL_827551 (CHEMBL2051579)	Inhibition of Influenza B virus (B/Lee/1940) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid preincubated with inhibitor for 30 mins measured after 15 mins by fluorescence analysis
50039968	1	ChEMBL_827555 (CHEMBL2051583)	Inhibition of furin
50039969	1	ChEMBL_827567 (CHEMBL2051595)	Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay
50039969	2	ChEMBL_827568 (CHEMBL2051596)	Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation preincubated for 30 mins measured after 30 mins by enzyme immunoassay
50039970	1	ChEMBL_827629 (CHEMBL2049708)	Inhibition of recombinant fluorescein-tagged E1 assessed as inhibition of ubiquitin-E1 adduct formation incubated for 15 mins prior to ATP addition measured after 5 mins by SDS PAGE analysis
50039970	2	ChEMBL_827633 (CHEMBL2050672)	Inhibition of FLAG-tagged ubiquitin-activating enzyme E1 assessed as inhibition of GST-ubiquitin/FLAG-E1 intermediate formation by Western blot analysis
50039970	3	ChEMBL_827630 (CHEMBL2049709)	Inhibition of ubiquitin-activating enzyme E1
50039971	1	ChEMBL_827636 (CHEMBL2050675)	Inhibition of EGFR derived from human A431 cell membrane assessed as inhibition of poly-Glu-Tyr phosphorylation after 30 mins by ELISA assay
50001248	1	ChEMBL_1713102 (CHEMBL4123151)	Inhibition of recombinant His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by H4KAc4 peptide substrate addition measured after 30 mins by AlphaScreen assay
50039973	1	ChEMBL_827650 (CHEMBL2050689)	Inhibition of human wild type B-Raf kinase assessed as change in ATP consumption by luciferase-luiferin-coupled chemiluminescent assay
50039974	1	ChEMBL_827666 (CHEMBL2050705)	Inhibition of CYP1A2
50039974	2	ChEMBL_827667 (CHEMBL2050706)	Inhibition of CYP3A4
50039974	3	ChEMBL_827668 (CHEMBL2050707)	Inhibition of CYP2D6
50039974	4	ChEMBL_827669 (CHEMBL2050708)	Inhibition of CYP2C9
50001248	2	ChEMBL_1713097 (CHEMBL4123146)	Inhibition of human CREBBP by AlphaScreen assay
50039975	2	ChEMBL_827687 (CHEMBL2050825)	Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method
50039975	3	ChEMBL_827686 (CHEMBL2050824)	Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method
50039976	1	ChEMBL_827842 (CHEMBL2051251)	Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis
50039976	2	ChEMBL_827843 (CHEMBL2051252)	Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis
50039977	1	ChEMBL_827862 (CHEMBL2051271)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay
50039977	2	ChEMBL_827863 (CHEMBL2051272)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay
50039977	3	ChEMBL_827865 (CHEMBL2051274)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay
50039977	4	ChEMBL_827864 (CHEMBL2051273)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay
50039978	1	ChEMBL_827929 (CHEMBL2051508)	Inhibition of C-Raf kinase-mediated phosphorylation of Mek using [33P]gammaATP after 20 mins by scintillation counting
50039979	1	ChEMBL_827952 (CHEMBL2051531)	Inhibition of human recombinant trypsin 1 using tosyl-GPR-pNA substrate by spectrophotometry
50039979	2	ChEMBL_827953 (CHEMBL2051532)	Inhibition of human recombinant trypsin 4 using tosyl-GPR-pNA substrate by spectrophotometry
50039979	3	ChEMBL_827950 (CHEMBL2051529)	Binding affinity to human alpha thrombin by Biocore A100 assay
50039979	4	ChEMBL_827951 (CHEMBL2051530)	Inhibition of human thrombin using tosyl-GPR-pNA substrate by spectrophotometry
50039980	1	ChEMBL_827961 (CHEMBL2051616)	Antagonist activity at human TP receptor by FLIPR assay
50039980	2	ChEMBL_827956 (CHEMBL2051535)	Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells
50039980	3	ChEMBL_827957 (CHEMBL2051536)	Antagonist activity at human CRTh2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux by FLIPR assay
50039980	4	ChEMBL_827972 (CHEMBL2051627)	Inhibition of CYP2D6
50039980	5	ChEMBL_827973 (CHEMBL2051628)	Inhibition of CYP3A4 using midazolam as substrate
50039980	6	ChEMBL_827974 (CHEMBL2051629)	Inhibition of CYP3A4 using testosterone as substrate
50039980	7	ChEMBL_827975 (CHEMBL2051630)	Inhibition of CYP2C9
50039980	8	ChEMBL_827960 (CHEMBL2051615)	Displacement of [3H]-PGD2 from human DP1 receptor expressed in CHO cells
50039980	9	ChEMBL_827959 (CHEMBL2051614)	Antagonist activity at human CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by flow cytometric analysis in presence of 50% human plasma
50039980	10	ChEMBL_827958 (CHEMBL2051537)	Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells in presence of 0.5% human serum albumin
50001248	3	ChEMBL_1713098 (CHEMBL4123147)	Inhibition of BRD4 (unknown origin) by fluorescence polarization assay
50001248	4	ChEMBL_1713109 (CHEMBL4123158)	Binding affinity to His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetric method
50001248	5	ChEMBL_1713100 (CHEMBL4123149)	Inhibition of recombinant His-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells preincubated for 30 mins followed by H4K5acK8acK12acK16ac substrate addition measured after 30 mins by AlphaScreen assay
50039982	1	ChEMBL_827989 (CHEMBL2051644)	Inhibition of renin in cynomolgus monkey plasma
50039982	2	ChEMBL_827988 (CHEMBL2051643)	Inhibition of human purified renin
50039983	1	ChEMBL_828024 (CHEMBL2049718)	Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease in Tl-stimulated fluorescence increase after 8 mins by fluorescence analysis
50039983	2	ChEMBL_828025 (CHEMBL2049719)	Inhibition of CYP3A4 in human liver microsomes
50039983	3	ChEMBL_828026 (CHEMBL2049720)	Inhibition of CYP2C9 in human liver microsomes
50039983	4	ChEMBL_828027 (CHEMBL2049721)	Inhibition of CYP1A2 in human liver microsomes
50039983	5	ChEMBL_828028 (CHEMBL2049722)	Inhibition of CYP2D6 in human liver microsomes
50039983	6	ChEMBL_828044 (CHEMBL2049738)	Antagonist activity at NKKC1 expressed in human HEK293 cells assessed as [86Rb] uptake after 30 mins by scintillation counting
50039984	1	ChEMBL_828054 (CHEMBL2049748)	Inhibition of human ERG
50039984	2	ChEMBL_828045 (CHEMBL2049739)	Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP
50039984	3	ChEMBL_828046 (CHEMBL2049740)	Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP
50039984	4	ChEMBL_828047 (CHEMBL2049741)	Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP
50039984	5	ChEMBL_828048 (CHEMBL2049742)	Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP
50039984	6	ChEMBL_828049 (CHEMBL2049743)	Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP
50039984	7	ChEMBL_828050 (CHEMBL2049744)	Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP
50039985	1	ChEMBL_828094 (CHEMBL2049833)	Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50039985	2	ChEMBL_828095 (CHEMBL2049834)	Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs by fluorescence assay
50039985	3	ChEMBL_828093 (CHEMBL2049832)	Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50039986	3	ChEMBL_828122 (CHEMBL2049861)	Inhibition of KDR
50039986	4	ChEMBL_828099 (CHEMBL2049838)	Inhibition of PKCdelta
50039986	6	ChEMBL_828105 (CHEMBL2049844)	Inhibition of LCK
50039986	7	ChEMBL_828106 (CHEMBL2049845)	Inhibition of ITK
50039986	8	ChEMBL_828107 (CHEMBL2049846)	Inhibition of FYN
50039986	9	ChEMBL_828108 (CHEMBL2049847)	Inhibition of LYN
50039986	10	ChEMBL_828109 (CHEMBL2049848)	Inhibition of ZAP70
50039986	11	ChEMBL_828110 (CHEMBL2049849)	Inhibition of c-Raf
50039986	12	ChEMBL_828111 (CHEMBL2049850)	Inhibition of ERK1
50039986	13	ChEMBL_828112 (CHEMBL2049851)	Inhibition of SYK
50039986	14	ChEMBL_828113 (CHEMBL2049852)	Inhibition of JAK2
50039986	15	ChEMBL_828114 (CHEMBL2049853)	Inhibition of ROCK1
50039986	16	ChEMBL_828115 (CHEMBL2049854)	Inhibition of Flt3
50039986	17	ChEMBL_828116 (CHEMBL2049855)	Inhibition of PI3Kgamma
50039986	18	ChEMBL_828118 (CHEMBL2049857)	Inhibition of PKCepsilon
50039986	19	ChEMBL_828119 (CHEMBL2049858)	Inhibition of Met
50039986	20	ChEMBL_828120 (CHEMBL2049859)	Inhibition of PI3Kalpha
50039986	21	ChEMBL_828121 (CHEMBL2049860)	Inhibition of CDK2
50039986	22	ChEMBL_828123 (CHEMBL2049862)	Inhibition of Plk
50039986	23	ChEMBL_828124 (CHEMBL2049863)	Inhibition of JNK3
50039986	24	ChEMBL_828117 (CHEMBL2049856)	Inhibition of PKCbeta
50039987	1	ChEMBL_828151 (CHEMBL2049981)	Inhibition of Met-triggered cell scattering in HGF-stimulated MDCK cells preincubated for overnight before HGF challenge measured after 24 to 48 hrs
50039988	1	ChEMBL_828169 (CHEMBL2049999)	Inhibition of KDR in presence of 1 mM ATP
50039989	1	ChEMBL_828184 (CHEMBL2050116)	Inhibition of human TMEM16A transfected in FRT cells assessed as iodide influx using YFP-F46L/H148Q/I152L halide sensor after 10 mins by spectrofluorometric analysis
50039990	1	ChEMBL_828208 (CHEMBL2050140)	Binding affinity to VAChT
50039990	2	ChEMBL_828209 (CHEMBL2050141)	Binding affinity to sigma1 receptor
50039990	3	ChEMBL_828202 (CHEMBL2050134)	Displacement of [3H]vesamicol from human VAChT expressed in rat PC12 cells after 24 hrs by liquid scintillation counting
50039990	4	ChEMBL_828203 (CHEMBL2050135)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig membrane after 90 mins by liquid scintillation counting
50039991	1	ChEMBL_828288 (CHEMBL2050307)	Inhibition of Toxoplasma gondii thymidylate synthase
50039991	2	ChEMBL_828289 (CHEMBL2050308)	Inhibition of human DHODH
50039991	3	ChEMBL_828213 (CHEMBL2050145)	Inhibition of PDGFRbeta in human SF539 cells pretreated for 60 mins measured after 1 hr by ELISA
50039991	4	ChEMBL_828212 (CHEMBL2050144)	Inhibition of VEGFR2 in human U251 cells pretreated for 60 mins measured after 1 hr by ELISA
50039991	5	ChEMBL_828211 (CHEMBL2050143)	Inhibition of EGFR in human A431 cells pretreated for 60 mins measured after 1 hr by ELISA
50039991	6	ChEMBL_828285 (CHEMBL2050304)	Inhibition of Toxoplasma gondii DHFR
50039991	7	ChEMBL_828286 (CHEMBL2050305)	Inhibition of human thymidylate synthase
50039991	8	ChEMBL_828283 (CHEMBL2050302)	Inhibition of human DHFR
50039992	1	ChEMBL_828300 (CHEMBL2050319)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells
50039992	2	ChEMBL_828305 (CHEMBL2050324)	Inhibition of histamine H4 receptor-mediated chemotaxis in mouse bone marrow cells
50039992	3	ChEMBL_828304 (CHEMBL2050323)	Inhibition of histamine H4 receptor-mediated chemotaxis in human eosinophils
50039993	1	ChEMBL_828306 (CHEMBL2050325)	Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins by scintillation counting
50039993	2	ChEMBL_828318 (CHEMBL2050392)	Inhibition of His6X-tagged PRMT3 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins by scintillation counting
50039993	3	ChEMBL_828319 (CHEMBL2050393)	Inhibition of His6X-tagged PRMT5 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins by scintillation counting
50039993	4	ChEMBL_828320 (CHEMBL2050394)	Inhibition of His6X-tagged PRMT6 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins by scintillation counting
50039993	5	ChEMBL_828321 (CHEMBL2050395)	Inhibition of GST-tagged CARM1 expressed in escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H3 peptide after 8 mins by scintillation counting
50039994	1	ChEMBL_830172 (CHEMBL2061982)	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs
50039994	2	ChEMBL_830173 (CHEMBL2061983)	Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using benzyloxyresorufin as substrate after 45 mins by fluorescence detection assay
50039994	3	ChEMBL_830174 (CHEMBL2062024)	Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence detection assay
50039995	1	ChEMBL_830180 (CHEMBL2062030)	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells
50039995	2	ChEMBL_830181 (CHEMBL2062031)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated formation of cyclic AMP
50039995	3	ChEMBL_830184 (CHEMBL2062034)	Inhibition of CYP3A4
50039995	4	ChEMBL_830188 (CHEMBL2062038)	Inhibition of recombinant CYP1A2
50039995	5	ChEMBL_830189 (CHEMBL2062039)	Inhibition of recombinant CYP2C9
50039995	6	ChEMBL_830190 (CHEMBL2062040)	Inhibition of recombinant CYP2C19
50039996	1	ChEMBL_830194 (CHEMBL2062044)	Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay
50039996	2	ChEMBL_830191 (CHEMBL2062041)	Inhibition of PI3Kgamma in human HL60 cell lysate by kinobead assay
50039996	3	ChEMBL_830192 (CHEMBL2062042)	Inhibition of PI3Kdelta in human HL60 cell lysate by kinobead assay
50039996	4	ChEMBL_830193 (CHEMBL2062043)	Inhibition of PI3Kalpha in human HL60 cell lysate by kinobead assay
50039997	1	ChEMBL_830314 (CHEMBL2060903)	Displacement of [3H]DAMGO from mu opioid receptor in mouse cerebellum
50039997	2	ChEMBL_830316 (CHEMBL2060905)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum
50001253	1	ChEMBL_1713508 (CHEMBL4123557)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50039997	3	ChEMBL_830315 (CHEMBL2060904)	Displacement of [3H]DPDPE from delta opioid receptor in mouse cerebellum
50001253	2	ChEMBL_1713504 (CHEMBL4123553)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50039998	1	ChEMBL_830335 (CHEMBL2060924)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells
50039998	2	ChEMBL_830333 (CHEMBL2060922)	Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells
50039998	3	ChEMBL_830331 (CHEMBL2060920)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells
50039998	4	ChEMBL_830341 (CHEMBL2060975)	Agonist activity at dopamine D1 receptor assessed as [35S]GTPgammaS binding in cell-based assay
50039998	5	ChEMBL_830337 (CHEMBL2060926)	Displacement of [3H]Ketanserin from human 5HT2A receptor expressed in HEK293 cells
50039998	6	ChEMBL_830339 (CHEMBL2060973)	Antagonist activity at dopamine D1 receptor assessed as inhibition of [35S]GTPgammaS binding in cell-based assay
50039998	7	ChEMBL_830343 (CHEMBL2060977)	Agonist activity at D1 receptor in rat striatum assessed as synaptosomal adenylate cyclase activity
50039999	1	ChEMBL_830356 (CHEMBL2060990)	Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells
50039999	2	ChEMBL_830358 (CHEMBL2060992)	Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3
50039999	3	ChEMBL_830359 (CHEMBL2060993)	Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells
50039999	4	ChEMBL_830457 (CHEMBL2061182)	Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis
50040000	1	ChEMBL_830471 (CHEMBL2061196)	Inhibition of human VEGFR2 by fluorescence-based electrophoretic mobility-shift assay
50040001	1	ChEMBL_830489 (CHEMBL2061259)	Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr
50040002	1	ChEMBL_830504 (CHEMBL2061274)	Inhibition of human mTOR
50040002	2	ChEMBL_830503 (CHEMBL2061273)	Inhibition of mouse PI3Kalpha
50040003	1	ChEMBL_830634 (CHEMBL2061527)	Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotriene B4 formation by reversed phase HPLC analysis
50040003	2	ChEMBL_830632 (CHEMBL2061525)	Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC analysis
50040003	3	ChEMBL_830633 (CHEMBL2061526)	Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 synthesis up to 24 hrs by radioimmunoassay
50040004	1	ChEMBL_830642 (CHEMBL2061535)	Antagonist activity at rat CFR1R
50040005	1	ChEMBL_830654 (CHEMBL2061589)	Antagonist activity at human CCR3
50040006	1	ChEMBL_830658 (CHEMBL2061593)	Inhibition of human recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate
50040006	2	ChEMBL_830659 (CHEMBL2061594)	Inhibition of mouse recombinant FATP1 acyl-coA synthetase activity using [14C]oleic acid as substrate
50040007	1	ChEMBL_830680 (CHEMBL2061615)	Inhibition of NRAMP1 expressed in CHO cells
50040008	1	ChEMBL_828583 (CHEMBL2060098)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluorescence analysis
50040008	2	ChEMBL_828579 (CHEMBL2060094)	Antagonist activity at human muscarinic M2 receptor assessed as inhibition of acetylcholine-induced calcium mobilization
50040008	3	ChEMBL_830696 (CHEMBL2061631)	Antagonist activity at human muscarinic M3 receptor assessed as inhibition of acetylcholine-induced calcium mobilization
50040008	4	ChEMBL_830695 (CHEMBL2061630)	Antagonist activity at human muscarinic M4 receptor assessed as inhibition of acetylcholine-induced calcium mobilization
50040008	5	ChEMBL_830694 (CHEMBL2061629)	Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium mobilization
50040008	6	ChEMBL_830686 (CHEMBL2061621)	Inhibition of CPY1A2
50040009	1	ChEMBL_828612 (CHEMBL2060169)	Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex
50040009	2	ChEMBL_828613 (CHEMBL2060170)	Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells
50040009	3	ChEMBL_828627 (CHEMBL2060184)	Antagonist activity at endothelin receptor subtype A
50040009	4	ChEMBL_828628 (CHEMBL2060185)	Binding affinity at type 1 angiotensin 2 receptor
50040009	5	ChEMBL_828629 (CHEMBL2060186)	Binding affinity at endothelin receptor subtype A
50040009	6	ChEMBL_828626 (CHEMBL2060183)	Antagonist activity at type 1 angiotensin 2 receptor
50040010	1	ChEMBL_828633 (CHEMBL2060190)	Agonist activity at rat mGlu4 receptor expressed in HEK293 cells coexpressing Gq/Gi and EAAC1 assessed as intracellular calcium production measured every 1.5 secs for 60 secs by Fluo-4-AM based fluorometry
50040011	1	ChEMBL_828757 (CHEMBL2060407)	Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter
50001253	3	ChEMBL_1713505 (CHEMBL4123554)	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50001253	4	ChEMBL_1713393 (CHEMBL4123442)	Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50040011	3	ChEMBL_828759 (CHEMBL2060409)	Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter
50040011	4	ChEMBL_828755 (CHEMBL2060405)	Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter
50001253	5	ChEMBL_1713506 (CHEMBL4123555)	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50040012	1	ChEMBL_828928 (CHEMBL2060578)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis
50040013	1	ChEMBL_828933 (CHEMBL2060583)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by scintillation proximity assay
50040013	2	ChEMBL_828930 (CHEMBL2060580)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by scintillation proximity assay
50040013	3	ChEMBL_828974 (CHEMBL2060624)	Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells
50040013	4	ChEMBL_828972 (CHEMBL2060622)	Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells
50040013	5	ChEMBL_828971 (CHEMBL2060621)	Displacement of [3H]dofetilide from human Erg expressed in human HEK293 cells
50040013	6	ChEMBL_828969 (CHEMBL2060619)	Inhibition of CYP2D6
50040014	1	ChEMBL_830702 (CHEMBL2061689)	Agonist activity at human GPR119 receptor expressed in CHO-K1 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50040014	2	ChEMBL_830706 (CHEMBL2061693)	Agonist activity at mouse GPR119 receptor expressed in CHO-K1 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50040015	1	ChEMBL_830731 (CHEMBL2061718)	Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting
50040015	2	ChEMBL_830732 (CHEMBL2061719)	Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostaining
50040016	1	ChEMBL_829140 (CHEMBL2059962)	Antagonist activity at CCR5 receptor expressed in human MOLT4 cells assessed as inhibition of CCl5-induced calcium mobilization after 1 hr by Fluor-4-AM staining
50040017	1	ChEMBL_829144 (CHEMBL2059966)	Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofluorometric analysis
50040017	2	ChEMBL_829146 (CHEMBL2059968)	Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofluorometric analysis
50040017	3	ChEMBL_829147 (CHEMBL2059969)	Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectrofluorometric analysis
50040017	4	ChEMBL_829145 (CHEMBL2059967)	Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectrofluorometric analysis
50040017	5	ChEMBL_829148 (CHEMBL2059970)	Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofluorometric analysis
50040018	1	ChEMBL_829172 (CHEMBL2059994)	Inhibition of histamine N-methyltransferase by radiochemical assay
50040018	2	ChEMBL_829173 (CHEMBL2059995)	Inhibition of Plasmodium falciparum phosphoethanolamine methyltransferase using phospethanolamine as substrate by radiochemical assay in presence of S-adenosylmethionine
50040019	1	ChEMBL_829176 (CHEMBL2059998)	Inhibition of MEK2 using [gamma32P]ATP by radiometric kinase assay
50040019	2	ChEMBL_829175 (CHEMBL2059997)	Inhibition of MEK1 using [gamma32P]ATP by radiometric kinase assay
50040019	3	ChEMBL_829177 (CHEMBL2059999)	Inhibition of PI3Kalpha using [gamma32P]ATP by radiometric kinase assay
50040020	1	ChEMBL_829593 (CHEMBL2060936)	Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric analysis
50040020	2	ChEMBL_829594 (CHEMBL2060937)	Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric analysis
50040021	1	ChEMBL_830079 (CHEMBL2061832)	Inhibition of Toxoplasma gondii CDPK1
50040021	2	ChEMBL_830076 (CHEMBL2061829)	Inhibition of human ABL
50040021	3	ChEMBL_830077 (CHEMBL2061830)	Inhibition of human SRC
50040022	1	ChEMBL_830092 (CHEMBL2061883)	Inhibition of Plasmodium falciparum SUB1 by fluorimetric assay
50040023	1	ChEMBL_830095 (CHEMBL2061886)	Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells
50040023	2	ChEMBL_830096 (CHEMBL2061887)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake
50001253	6	ChEMBL_1713507 (CHEMBL4123556)	Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis
50040024	1	ChEMBL_830365 (CHEMBL2060999)	Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins
50040024	2	ChEMBL_830366 (CHEMBL2061000)	Antagonist activity at human recombinant LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of hexadecyl-LPA-induced effect
50040024	3	ChEMBL_830364 (CHEMBL2060998)	Antagonist activity at LPA5 receptor in human washed platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins
50040024	4	ChEMBL_830368 (CHEMBL2061002)	Antagonist activity at LPA2 receptor in human isolated platelets assessed as inhibition of TRAP-induced platelet aggregation after 3 mins
50040025	1	ChEMBL_830517 (CHEMBL2061329)	Inhibition of Staphylococcus aureus DNA gyrase B expressed in Escherichia coli BL21(DE3) cells assessed ATP hydrolysis activity after 18 to 24 hrs by malachite green reagent assay
50040026	1	ChEMBL_830545 (CHEMBL2061357)	Inhibition of rat intestinal maltase using maltose as substrate preincubated for 10 mins before substrate addition by glucose oxidase method
50040026	2	ChEMBL_830540 (CHEMBL2061352)	Competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-inhibitor complex at 0.1 to 1 mg/ml by Dixon plot analysis
50040026	3	ChEMBL_830539 (CHEMBL2061351)	Non-competitive inhibition of rat intestinal maltase using maltose as substrate assessed as dissociation of enzyme-substrate-inhibitor complex at 0.1 to 1 mg/ml by secondary plot analysis
50040027	1	ChEMBL_829329 (CHEMBL2060319)	Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis
50040027	2	ChEMBL_829330 (CHEMBL2060320)	Inhibition of mTOR
50040027	3	ChEMBL_829335 (CHEMBL2060325)	Inhibition of human ERG by Herg fluorescence polarization assay
50040027	4	ChEMBL_829331 (CHEMBL2060321)	Inhibition of PI3Kalpha assessed as accumulation of ADP
50040027	5	ChEMBL_829312 (CHEMBL2060302)	Inhibition of human PI3Kalpha by HTRF assay
50040027	6	ChEMBL_829313 (CHEMBL2060303)	Inhibition of human PI3Kbeta by HTRF assay
50040027	7	ChEMBL_829314 (CHEMBL2060304)	Inhibition of human PI3Kdelta by HTRF assay
50040027	8	ChEMBL_829318 (CHEMBL2060308)	Inhibition of PI3Kgamma assessed as accumulation of ADP
50040028	1	ChEMBL_829356 (CHEMBL2060147)	Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry
50040028	2	ChEMBL_829358 (CHEMBL2060149)	Inhibition of human recombinant DPP9 using Gly-Pro-MCA as substrate after 30 mins by fluorometry
50040028	3	ChEMBL_829355 (CHEMBL2060146)	Inhibition of human DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry
50040028	4	ChEMBL_829357 (CHEMBL2060148)	Inhibition of human recombinant DPP8 using Gly-Pro-MCA as substrate after 30 mins by fluorometry
50040029	1	ChEMBL_829364 (CHEMBL2060155)	Inhibition of BuChE in Wistar rat plasma using acetylthiocholine iodide as substrate after 0.5 hrs by Ellman's method
50040029	2	ChEMBL_829363 (CHEMBL2060154)	Inhibition of AChE in Wistar rat brain homogenate using acetylthiocholine iodide as substrate after 0.5 hrs by Ellman's method
50040030	1	ChEMBL_828634 (CHEMBL2060191)	Inhibition of Aspergillus fumigatus ChitinaseB1 expressed in Escherichia coli using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins
50040030	2	ChEMBL_828636 (CHEMBL2060193)	Inhibition of AMCase in BALB/c mouse lung homogenate using 4-methyumbelliferyl-beta-B-N,N'-diacetylchitobiose after 10 mins
50040030	3	ChEMBL_828637 (CHEMBL2060194)	Inhibition of Aspergillus fumigatus chitinaseA1 using 4-methyumbelliferyl-beta-B-N,N'-triacetylchitotriose as substrate after 10 mins
50040031	1	ChEMBL_828665 (CHEMBL2060259)	Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 1 hr by scintillation counting
50040031	2	ChEMBL_828664 (CHEMBL2060258)	Inhibition of eIF4A1-mediated protein synthesis in human BJAB cells assessed as inhibition of [35S]Met incorporation after 72 hr by scintillation counting
50040032	1	ChEMBL_828818 (CHEMBL2060468)	Activation of human RNase L expressed in Escherichia coli BL21 (DE3) cells assessed as RNA cleavage using Cy5-rC11-UU-C7-BHQ2 as substrate by FRET assay
50001255	1	ChEMBL_1713542 (CHEMBL4123591)	Inhibition of human full length FASN using [3H]-acetyl-CoA/malonyl-CoA as substrate after 60 mins in presence of NADPH by scintillation proximity assay
50001255	2	ChEMBL_1713581 (CHEMBL4123630)	Inhibition of human CYP2C8
50001255	3	ChEMBL_1713585 (CHEMBL4123634)	Inhibition of human CYP2C9
50040034	1	ChEMBL_828863 (CHEMBL2060513)	Inhibition of human recombinant BTK expressed in baculovirus expression vector system
50040034	2	ChEMBL_828864 (CHEMBL2060514)	Inhibition of human BTK by enzymatic assay
50040034	3	ChEMBL_828865 (CHEMBL2060515)	Inhibition of BLK
50040034	4	ChEMBL_828866 (CHEMBL2060516)	Inhibition of BMX
50040034	5	ChEMBL_828867 (CHEMBL2060517)	Inhibition of RET
50040034	6	ChEMBL_829002 (CHEMBL2060652)	Competitive inhibition of BTK by TR-FRET based competitive assay
50040034	7	ChEMBL_829007 (CHEMBL2060657)	Inhibition of BTK in human Ramos cells by FLIPR assay
50040034	8	ChEMBL_828995 (CHEMBL2060645)	Inhibition of LYN
50040036	1	ChEMBL_829215 (CHEMBL2060037)	Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay
50040037	1	ChEMBL_829667 (CHEMBL2061057)	Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay
50040037	2	ChEMBL_829669 (CHEMBL2061059)	Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE analysis
50040037	3	ChEMBL_829705 (CHEMBL2061145)	Inhibition of human APE1 expressed in Escherichia coli rosetta using fluorescein-dabcyl-containing oligonucleotide as substrate after 5 mins by fluorescence spectrophotometry
50040038	1	ChEMBL_829706 (CHEMBL2061146)	Binding affinity to FKBP52 FK1 domain by competitive fluorescence polarization assay
50040038	2	ChEMBL_829708 (CHEMBL2061148)	Binding affinity to FKBP12 by competitive fluorescence polarization assay
50040038	3	ChEMBL_829707 (CHEMBL2061147)	Binding affinity to FKBP51 FK1 domain by competitive fluorescence polarization assay
50040039	1	ChEMBL_829709 (CHEMBL2061149)	Binding affinity to FKBP12 by fluorescence polarization assay
50040039	2	ChEMBL_829710 (CHEMBL2061150)	Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay
50040039	3	ChEMBL_829711 (CHEMBL2061151)	Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay
50040040	1	ChEMBL_829712 (CHEMBL2061152)	Binding affinity to FGF-1 by surface plasmon resonance assay
50040040	2	ChEMBL_829713 (CHEMBL2061153)	Binding affinity to FGF-2 by surface plasmon resonance assay
50040040	3	ChEMBL_829715 (CHEMBL2061155)	Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay
50040041	1	ChEMBL_829805 (CHEMBL2061324)	Inhibition of squalene synthase in rat hepatic cells
50040042	1	ChEMBL_829819 (CHEMBL2061377)	Inhibition of GLUT1 mediated [3H]-2-DG uptake in human LNCAP cells after 30 mins by scintillation counting
50040043	1	ChEMBL_829836 (CHEMBL2061394)	Inhibition of aromatase in human placental microsomes using [1beta-3H]androstenedione as substrate after 15 mins by liquid scintillation counting
50040043	2	ChEMBL_829838 (CHEMBL2061396)	Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis
50040044	1	ChEMBL_829914 (CHEMBL2061562)	Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric analysis
50040044	2	ChEMBL_829915 (CHEMBL2061563)	Inhibition of human squalene synthase
50040045	1	ChEMBL_829916 (CHEMBL2061564)	Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay
50040046	1	ChEMBL_829921 (CHEMBL2061569)	Displacement of [3H]-1alpha,25(OH)2D3 from recombinant rat VDR after overnight incubation by scintillation counting
50040047	1	ChEMBL_829933 (CHEMBL2061638)	Displacement of [125I]MCH from human MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting
50040047	2	ChEMBL_829934 (CHEMBL2061639)	Displacement of [125I]MCH from rat MCHR1 expressed in CHO cells after 60 mins by liquid scintillation counting
50040047	3	ChEMBL_829935 (CHEMBL2061640)	Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-stimulated arachidonic acid release after 45 mins by liquid scintillation counting
50040048	1	ChEMBL_829950 (CHEMBL2061655)	Inhibition of CYP1A2
50040048	2	ChEMBL_829952 (CHEMBL2061657)	Inhibition of CYP2C9
50040048	3	ChEMBL_829954 (CHEMBL2061659)	Inhibition of CYP2D6
50040048	4	ChEMBL_829955 (CHEMBL2061660)	Inhibition of CYP3A4
50040048	5	ChEMBL_829953 (CHEMBL2061658)	Inhibition of CYP2C19
50040049	1	ChEMBL_830110 (CHEMBL2061901)	Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 mins by Amplite fluorimetric assay
50040049	2	ChEMBL_830111 (CHEMBL2061902)	Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide
50040050	1	ChEMBL_830134 (CHEMBL2061944)	Displacement of [3H]1alpha,25-dihydroxyvitamin D3 from human recombinant GST-tagged vitamin D3 receptor LBD expressed in Escherichia coli BL21 after 16 hrs
50040051	1	ChEMBL_830253 (CHEMBL2060804)	Inhibition of human ERG channel expressed in CHO cells by patch clamp assay
50040051	2	ChEMBL_830276 (CHEMBL2060827)	Inhibition of human CYP1A2
50040051	3	ChEMBL_830277 (CHEMBL2060828)	Inhibition of human CYP2C19
50040051	4	ChEMBL_830278 (CHEMBL2060829)	Inhibition of human CYP2C9
50040051	5	ChEMBL_830279 (CHEMBL2060830)	Inhibition of human CYP2D6
50040051	6	ChEMBL_830280 (CHEMBL2060831)	Inhibition of human CYP3A4
50040052	1	ChEMBL_830573 (CHEMBL2061428)	Inhibition of Cdc25B
50040052	2	ChEMBL_830415 (CHEMBL2061093)	Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrofluorimetric analysis
50040052	3	ChEMBL_830419 (CHEMBL2061097)	Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate in presence of recombinant superoxide dismutase
50040052	4	ChEMBL_830418 (CHEMBL2061096)	Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweaver-Burk plot analysis
50040052	5	ChEMBL_830417 (CHEMBL2061095)	Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweaver-Burk plot analysis
50040052	6	ChEMBL_830416 (CHEMBL2061094)	Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrofluorimetric analysis
50040053	1	ChEMBL_830578 (CHEMBL2061433)	Inhibition of human Tdp1 in Tdp1-deficient chicken DT40 whole cell extract using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate after 15 mins by PAGE analysis
50040053	2	ChEMBL_830577 (CHEMBL2061432)	Inhibition of human recombinant Tdp1 using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate assessed as prevention of generation of oligonucleotide with free 3'-phosphate after 15 mins by PAGE analysis
50040053	3	ChEMBL_830580 (CHEMBL2061435)	Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay
50040053	4	ChEMBL_830581 (CHEMBL2061436)	Inhibition of Tdp1
50040054	1	ChEMBL_828728 (CHEMBL2060378)	Inhibition of RET by commercial radiometric assay
50040055	1	ChEMBL_829087 (CHEMBL2060737)	Binding affinity to human MDM2 by surface plasmon resonance binding assay
50040056	1	ChEMBL_829093 (CHEMBL2059915)	Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing Gal4 ligand binding domain assessed as inhibition of transcription after 24 hrs by dual-Glo luciferase assay
50040056	2	ChEMBL_829091 (CHEMBL2060741)	Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-Glo luciferase assay
50040057	1	ChEMBL_829262 (CHEMBL2060084)	Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay
50040057	2	ChEMBL_829263 (CHEMBL2060085)	Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay
50040057	3	ChEMBL_829266 (CHEMBL2060088)	Inhibition of rat ACC1
50040058	1	ChEMBL_829291 (CHEMBL2060138)	Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay
50040058	2	ChEMBL_829274 (CHEMBL2060121)	Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining
50040058	3	ChEMBL_829282 (CHEMBL2060129)	Agonist activity at human muscarinic M2 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining
50040058	4	ChEMBL_829290 (CHEMBL2060137)	Inhibition of human ERG expressed in CHO cells after 30 mins by Rb+ flux assay
50040058	5	ChEMBL_829276 (CHEMBL2060123)	Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining
50040058	6	ChEMBL_829280 (CHEMBL2060127)	Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining
50040058	7	ChEMBL_829278 (CHEMBL2060125)	Agonist activity at muscarinic human M4 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining
50040059	1	ChEMBL_829296 (CHEMBL2060286)	Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells
50040060	1	ChEMBL_829475 (CHEMBL2061995)	Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Renilla luciferase assay
50040060	2	ChEMBL_829533 (CHEMBL2060771)	Inhibition of Smo expressed in mouse C3H10T1/2 cells assessed as reduction in alkaline phosphatase level after 72 hrs by spectrophotometric analysis
50040060	3	ChEMBL_829534 (CHEMBL2060772)	Inhibition of p38alpha
50040060	4	ChEMBL_829474 (CHEMBL2061994)	Inhibition of Smo expressed in mouse NIH/3T3 cells after 20 hrs by Gli reporter gene assay
50040061	1	ChEMBL_829770 (CHEMBL2061289)	Inhibition of PTP1B using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	2	ChEMBL_829766 (CHEMBL2061285)	Inhibition of N-terminal His-tagged Cdc25c catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	3	ChEMBL_829767 (CHEMBL2061286)	Inhibition of human recombinant His-tagged VHR using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	4	ChEMBL_829768 (CHEMBL2061287)	Inhibition of PTP-beta receptor using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	5	ChEMBL_829769 (CHEMBL2061288)	Inhibition of MKP3 using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	6	ChEMBL_829771 (CHEMBL2061290)	Inhibition of human PTEN using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	7	ChEMBL_829763 (CHEMBL2061243)	Inhibition of PTP-beta receptor using para-nitrophenol as substrate by colorimetric analysis
50040061	8	ChEMBL_829764 (CHEMBL2061244)	Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	9	ChEMBL_829765 (CHEMBL2061284)	Inhibition of N-terminal His-tagged Cdc25b catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040061	10	ChEMBL_829779 (CHEMBL2061298)	Inhibition of N-terminal His-tagged Cdc25b catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrate by secondary plot analysis
50040061	11	ChEMBL_829778 (CHEMBL2061297)	Inhibition of N-terminal His-tagged Cdc25a catalytic domain expressed in Escherichia coli BL21(DE3) using 3-O-Methylfluorescein phosphate as substrate by secondary plot analysis
50040061	12	ChEMBL_829772 (CHEMBL2061291)	Inhibition of PTPMT1 using 3-O-Methylfluorescein phosphate as substrate incubated for 10 mins prior to substrate addition by fluorometry
50040062	1	ChEMBL_830022 (CHEMBL2061763)	Inhibition of PI3Kgamma after 4 hrs
50040063	1	ChEMBL_830160 (CHEMBL2061970)	Displacement of [125I]Sar1Ile8-Ang2 from angiotensin AT1 receptor after 180 mins by gamma counting
50040063	2	ChEMBL_830162 (CHEMBL2061972)	Antagonist activity at AT1 receptor in Japanese white rabbit thoracic aorta assessed as inhibition of KCl-induced contraction incubated 30 mins post KCl-induction for 1 hr
50040063	3	ChEMBL_830165 (CHEMBL2061975)	Inhibition of angiotensin AT1 receptor
50040064	2	ChEMBL_830170 (CHEMBL2061980)	Inhibition of cathepsin D by FRET assay
50001255	4	ChEMBL_1713580 (CHEMBL4123629)	Inhibition human CYP1A2
50001255	5	ChEMBL_1713582 (CHEMBL4123631)	Inhibition of human CYP2C19
50001255	6	ChEMBL_1713583 (CHEMBL4123632)	Inhibition of human CYP2D6
50001255	7	ChEMBL_1713584 (CHEMBL4123633)	Inhibition of human CYP3A4
50001255	8	ChEMBL_1713543 (CHEMBL4123592)	Inhibition of human FASN KR-domain after 20 mins in presence of NADPH
50040065	1	ChEMBL_830881 (CHEMBL2065430)	Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis
50040065	2	ChEMBL_830883 (CHEMBL2065432)	Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs
50040066	1	ChEMBL_830890 (CHEMBL2065439)	Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 mins
50040066	2	ChEMBL_830892 (CHEMBL2065441)	Inhibition of CK2alpha in human HCT116 cells assessed as decrease in AKT phosphorylation at S129 residue after 3 to 24 hrs by Western blot analysis
50040066	3	ChEMBL_830910 (CHEMBL2065459)	Inhibition of GSK3beta
50040066	4	ChEMBL_830911 (CHEMBL2065460)	Inhibition of HipK2
50040066	5	ChEMBL_830913 (CHEMBL2065462)	Inhibition of CDK2
50040066	6	ChEMBL_830893 (CHEMBL2065442)	Inhibition of CK2alpha in human DLD-1 cells assessed as decrease in AKT phosphorylation at S129 residue after 24 hrs by ELISA
50040066	7	ChEMBL_830902 (CHEMBL2065451)	Inhibition of human Erg
50040066	8	ChEMBL_830903 (CHEMBL2065452)	Inhibition of CYP1A2
50040067	1	ChEMBL_830920 (CHEMBL2065469)	Inhibition of MKP3
50040067	2	ChEMBL_830921 (CHEMBL2065470)	Inhibition of PTP1B
50040067	3	ChEMBL_830919 (CHEMBL2065468)	Inhibition of MKP1
50040067	4	ChEMBL_830930 (CHEMBL2065479)	Inhibition of CDC25A in presence of 100 mM DTT
50040067	5	ChEMBL_830915 (CHEMBL2065464)	Inhibition of CDC25A
50040067	6	ChEMBL_830916 (CHEMBL2065465)	Inhibition of CDC25B
50040067	7	ChEMBL_830917 (CHEMBL2065466)	Inhibition of CDC25C
50040067	8	ChEMBL_830918 (CHEMBL2065467)	Inhibition of VHR
50040067	9	ChEMBL_830928 (CHEMBL2065477)	Inhibition of CDC25A in presence of 2 mM DTT
50040067	10	ChEMBL_830929 (CHEMBL2065478)	Inhibition of CDC25A in presence of 20 mM DTT
50040067	11	ChEMBL_830931 (CHEMBL2065531)	Inhibition of CDC25B in presence of 2 mM DTT
50040067	12	ChEMBL_830932 (CHEMBL2065532)	Inhibition of CDC25B in presence of 20 mM DTT
50040067	13	ChEMBL_830933 (CHEMBL2065533)	Inhibition of CDC25B in presence of 100 mM DTT
50040068	1	ChEMBL_831002 (CHEMBL2065654)	Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas red-Tf addition measured after 8 mins by receptor-mediated endocytosis assay
50040069	1	ChEMBL_831048 (CHEMBL2065749)	Inhibition of human liver cathepsin B using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analysis
50040069	2	ChEMBL_831047 (CHEMBL2065748)	Inhibition of human liver cathepsin L using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analysis
50040070	1	ChEMBL_831051 (CHEMBL2065752)	Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis
50040071	1	ChEMBL_830828 (CHEMBL2065334)	Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting
50040072	1	ChEMBL_830841 (CHEMBL2065347)	Inhibition of LCK
50040072	2	ChEMBL_830842 (CHEMBL2065348)	Inhibition of EGFR
50040072	3	ChEMBL_830843 (CHEMBL2065349)	Inhibition of CSF1R
50040072	4	ChEMBL_830844 (CHEMBL2065350)	Inhibition of PDGFRA
50040072	5	ChEMBL_830837 (CHEMBL2065343)	Inhibition of KIT
50040072	6	ChEMBL_830838 (CHEMBL2065344)	Inhibition of ABL1
50040072	7	ChEMBL_830839 (CHEMBL2065345)	Inhibition of CDC7
50001244	1	ChEMBL_1713601 (CHEMBL4123650)	Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum and 10% human serum albumin
50001244	2	ChEMBL_1713599 (CHEMBL4123648)	Inhibition of HIV1 integrase strand transfer activity
50001244	3	ChEMBL_1713600 (CHEMBL4123649)	Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 10% fetal bovine serum
50040073	1	ChEMBL_830950 (CHEMBL2065550)	Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells
50040073	2	ChEMBL_830951 (CHEMBL2065551)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50040074	1	ChEMBL_830976 (CHEMBL2065576)	Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting
50040074	2	ChEMBL_830979 (CHEMBL2065579)	Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 10 mins prior to CP-55940-challenge measured after 1 hr by beta counting
50040074	3	ChEMBL_830977 (CHEMBL2065577)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting
50040075	1	ChEMBL_830992 (CHEMBL2065644)	Inhibition of Staphylococcus aureus His6-tagged CrtM expressed in Escherichia coli BL21(DE3) using Farnesyl pyrophosphate as substrate incubated for 30 mins prior to substrate addition by continuous spectrophotometric assay
50040075	2	ChEMBL_830995 (CHEMBL2065647)	Inhibition of Staphylococcus aureus isolate WT CrtM-mediated staphyloxanthin synthesis after 72 hrs by spectrophotometry
50040076	1	ChEMBL_831070 (CHEMBL2065771)	Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis
50040076	2	ChEMBL_831074 (CHEMBL2065775)	Competitive inhibition of human MMP7 using fluorogenic substrate by Dixon plot analysis
50040076	3	ChEMBL_831080 (CHEMBL2065781)	Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis
50040076	4	ChEMBL_831065 (CHEMBL2065766)	Competitive inhibition of human MMP1 using fluorogenic substrate by Dixon plot analysis
50040076	5	ChEMBL_831071 (CHEMBL2065772)	Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis
50040076	6	ChEMBL_831079 (CHEMBL2065780)	Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis
50040077	1	ChEMBL_831086 (CHEMBL2065832)	Inhibition of human recombinant His6-tagged DGAT1 expressed in insect Sf9 cells
50040077	2	ChEMBL_831087 (CHEMBL2065833)	Inhibition of DGAT2
50040077	3	ChEMBL_831088 (CHEMBL2065834)	Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in triglyceride synthesis after 2 hrs by LC/MS analysis
50040078	1	ChEMBL_831128 (CHEMBL2065941)	Inhibition of recombinant HDAC2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis
50040078	2	ChEMBL_831130 (CHEMBL2065943)	Inhibition of recombinant HDAC6 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis
50040078	3	ChEMBL_831127 (CHEMBL2065940)	Inhibition of recombinant HDAC1 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis
50040078	4	ChEMBL_831142 (CHEMBL2065955)	Competitive inhibition of HDAC1 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis
50040078	5	ChEMBL_831143 (CHEMBL2065956)	Competitive inhibition of HDAC2 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis
50040079	1	ChEMBL_831149 (CHEMBL2065962)	Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting
50040081	1	ChEMBL_832795 (CHEMBL2067891)	Positive allosteric modulation activity at muscarinic M5 receptor
50040081	2	ChEMBL_832791 (CHEMBL2067887)	Positive allosteric modulation activity at muscarinic M1 receptor
50040081	3	ChEMBL_830804 (CHEMBL2065269)	Positive allosteric modulation activity at mGlu5 receptor
50040081	4	ChEMBL_832789 (CHEMBL2067885)	Positive allosteric modulation activity at mGlu4 receptor
50040081	5	ChEMBL_832793 (CHEMBL2067889)	Positive allosteric modulation activity at muscarinic M3 receptor
50040081	6	ChEMBL_832797 (CHEMBL2067893)	Positive allosteric modulation activity at mGlu1 receptor
50040081	7	ChEMBL_832798 (CHEMBL2067894)	Positive allosteric modulation activity at mGlu2 receptor
50040081	8	ChEMBL_832799 (CHEMBL2067895)	Positive allosteric modulation activity at mGlu3 receptor
50040081	9	ChEMBL_832800 (CHEMBL2066313)	Positive allosteric modulation activity at mGlu6 receptor
50040081	10	ChEMBL_832801 (CHEMBL2066314)	Positive allosteric modulation activity at mGlu7 receptor
50040081	11	ChEMBL_832802 (CHEMBL2066315)	Positive allosteric modulation activity at mGlu8 receptor
50040082	1	ChEMBL_832803 (CHEMBL2066316)	Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-2 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate after 45 mins by fluorogenic assay
50040082	2	ChEMBL_832804 (CHEMBL2066317)	Inhibition of p-aminophenylmercuric acetate stimulated human recombinant MMP-9 using (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate after 45 mins by fluorogenic assay
50040083	1	ChEMBL_832831 (CHEMBL2066344)	Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-layer chromatographic analysis
50040083	2	ChEMBL_832836 (CHEMBL2066349)	Inhibition of COX-1 in human OVCAR3 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after 30 mins
50040083	3	ChEMBL_832841 (CHEMBL2066354)	Inhibition of COX-2 in human HNSCC 1483 cells using [14C] arachidonic acid as substrate preincubated for 30 mins before substrate addition measured after 30 mins
50040083	4	ChEMBL_832832 (CHEMBL2066345)	Inhibition of COX1
50040083	5	ChEMBL_832833 (CHEMBL2066346)	Inhibition of COX2
50040083	6	ChEMBL_832830 (CHEMBL2066343)	Inhibition of mouse COX-2 using [14C] arachidonic acid as substrate preincubated for 17 mins before substrate addition measured after 3 mins by thin-layer chromatographic analysis
50040084	1	ChEMBL_833080 (CHEMBL2067284)	Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain homogenates after 1 hr
50040084	2	ChEMBL_833081 (CHEMBL2067285)	Displacement of [11C]-ABP688 from mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting
50040085	1	ChEMBL_833589 (CHEMBL2066530)	Inhibition of LPS-stimulated human whole blood COX-2 assessed as inhibition of PGE2 production by EIA
50040085	2	ChEMBL_833588 (CHEMBL2066529)	Inhibition of human whole blood COX-1 assessed as inhibition of TXB2 production by EIA
50040086	1	ChEMBL_833598 (CHEMBL2066539)	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay
50040086	2	ChEMBL_833599 (CHEMBL2066540)	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR2 domain after 30 mins by fluorescence polarization-based competition assay
50040086	3	ChEMBL_833600 (CHEMBL2066541)	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP1 BIR3 domain after 30 mins by fluorescence polarization-based competition assay
50040086	4	ChEMBL_833601 (CHEMBL2066542)	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP2 BIR3 domain after 30 mins by fluorescence polarization-based competition assay
50040086	5	ChEMBL_833602 (CHEMBL2066543)	Displacement of AVPFAK(5-FAM)K (Hid-FAM) from cIAP1 BIR2 domain after 30 mins by fluorescence polarization-based competition assay
50040086	6	ChEMBL_833603 (CHEMBL2066544)	Displacement of AVPFAK(5-FAM)K (Hid-FAM) from cIAP2 BIR2 domain after 30 mins by fluorescence polarization-based competition assay
50040086	7	ChEMBL_833604 (CHEMBL2066545)	Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay
50040087	1	ChEMBL_831216 (CHEMBL2066138)	Competitive inhibition of VEGFR2 by qPCR method
50040088	1	ChEMBL_832858 (CHEMBL2066620)	Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay
50040088	2	ChEMBL_832859 (CHEMBL2066621)	Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay
50040088	3	ChEMBL_832857 (CHEMBL2066619)	Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay
50040089	1	ChEMBL_832881 (CHEMBL2066643)	Antagonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant compound preincubated for 10 mins by degranulation assay
50040089	2	ChEMBL_832885 (CHEMBL2066647)	Antagonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as inhibition of increase in intracellular calcium compound preincubated for 10 mins using Fluo-R staining by microplate reader
50040090	1	ChEMBL_832910 (CHEMBL2066781)	Inhibition of rat recombinant NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by LC/MS analysis
50040091	1	ChEMBL_833107 (CHEMBL2067311)	Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis
50040091	2	ChEMBL_833110 (CHEMBL2067353)	Binding affinity to human sigma 1-type opioid receptor
50040091	3	ChEMBL_833116 (CHEMBL2067359)	Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptor
50040092	1	ChEMBL_833166 (CHEMBL2067457)	Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate preincubated with compound for 15 mins measured after 10 mins by HTRF assay
50040092	2	ChEMBL_833165 (CHEMBL2067456)	Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as substrate preincubated with compound for 15 mins measured after 10 mins by HTRF assay
50040092	3	ChEMBL_833164 (CHEMBL2067455)	Inhibition of N-terminus poly-His tagged human PI3Kalpha expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate preincubated with compound for 15 mins measured after 10 mins by HTRF assay
50040092	4	ChEMBL_833387 (CHEMBL2067916)	Inhibition of human PI3Kalpha-mediated Akt phosphorylation at Ser473 residue expressed in human H460 cells after 0.5 to 2 hrs by Western blot analysis
50040092	5	ChEMBL_833388 (CHEMBL2067917)	Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in mouse MEF-3T3 cells after 0.5 to 2 hrs by Western blot analysis
50040092	6	ChEMBL_833389 (CHEMBL2067918)	Inhibition of human PI3Kdelta-mediated Akt phosphorylation at Ser473 residue expressed in mouse MEF-3T3 cells after 0.5 to 2 hrs by Western blot analysis
50040092	7	ChEMBL_833430 (CHEMBL2066371)	Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay
50040092	8	ChEMBL_833379 (CHEMBL2067908)	Inhibition of human PI3Kbeta-mediated Akt phosphorylation at T308 residue expressed in PTEN-deficient human PC3 cells after 2 hrs by Western blot analysis
50040092	9	ChEMBL_833377 (CHEMBL2067906)	Inhibition of mTOR
50040092	10	ChEMBL_833167 (CHEMBL2067458)	Inhibition of N-terminus poly-His tagged human PI3Kgamma expressed in baculovirus infected insect sf9 cells using PI(4,5)P2 as substrate preincubated with compound for 15 mins measured after 10 mins by HTRF assay
50040092	11	ChEMBL_833390 (CHEMBL2067919)	Inhibition of human PI3Kgamma-mediated Akt phosphorylation at Ser473 residue expressed in mouse RAW264.7 cells after 0.5 to 2 hrs by Western blot analysis
50040092	12	ChEMBL_833383 (CHEMBL2067912)	Inhibition of human recombinant CPY3A4
50040093	1	ChEMBL_833717 (CHEMBL2066816)	Inhibition of human recombinant CK1epsilon by FRET assay
50040093	4	ChEMBL_833716 (CHEMBL2066815)	Inhibition of human recombinant AurKA by FRET assay
50040093	2	ChEMBL_833720 (CHEMBL2066819)	Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins
50040093	3	ChEMBL_833721 (CHEMBL2066820)	Inhibition of human recombinant GSK3alpha
50040094	1	ChEMBL_832930 (CHEMBL2066885)	Inhibition of MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured for 10 mins by fluorometry
50040094	2	ChEMBL_832927 (CHEMBL2066798)	Inhibition of MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured for 10 mins by fluorometry
50040094	3	ChEMBL_832928 (CHEMBL2066883)	Inhibition of MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured for 10 mins by fluorometry
50040094	4	ChEMBL_832926 (CHEMBL2066797)	Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured for 10 mins by fluorometry
50040095	2	ChEMBL_832968 (CHEMBL2066923)	Inhibition of PAK4
50040095	3	ChEMBL_832975 (CHEMBL2067019)	Inhibition of CDK2
50040095	4	ChEMBL_833185 (CHEMBL2067476)	Inhibition of GSK3beta
50040095	5	ChEMBL_833196 (CHEMBL2067487)	Inhibition of Erk2
50040095	6	ChEMBL_833197 (CHEMBL2067488)	Inhibition of MARK1
50040096	1	ChEMBL_833203 (CHEMBL2067494)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50040096	2	ChEMBL_833205 (CHEMBL2067496)	Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting
50040096	3	ChEMBL_833201 (CHEMBL2067492)	Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50040096	4	ChEMBL_833206 (CHEMBL2067497)	Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production incubated for 30 mins prior to forskolin-stimulation measured after 15 mins by enzyme immunoassay
50040096	5	ChEMBL_833211 (CHEMBL2067575)	Displacement of [3H]CGS21680 from mouse adenosine A3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50040096	6	ChEMBL_833216 (CHEMBL2067580)	Displacement of [3H]CGS21680 from mouse adenosine A1 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50040097	1	ChEMBL_833220 (CHEMBL2067584)	Inhibition of human ERG by patch clamp assay
50040097	2	ChEMBL_833218 (CHEMBL2067582)	Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma
50040097	3	ChEMBL_833217 (CHEMBL2067581)	Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate addition measured after 1 hr by time resolved fluorescence assay
50040097	4	ChEMBL_833227 (CHEMBL2067591)	Inhibition of human Fes
50040097	5	ChEMBL_833226 (CHEMBL2067590)	Inhibition of human Fer
50040097	6	ChEMBL_833225 (CHEMBL2067589)	Inhibition of human FAK
50040097	7	ChEMBL_833224 (CHEMBL2067588)	Inhibition of human CHK2
50040097	8	ChEMBL_833223 (CHEMBL2067587)	Inhibition of human BRK
50040097	9	ChEMBL_833222 (CHEMBL2067586)	Inhibition of human ARK5
50040097	10	ChEMBL_833221 (CHEMBL2067585)	Inhibition of human ACK1
50040097	11	ChEMBL_833235 (CHEMBL2067599)	Inhibition of human Rsk4
50040097	12	ChEMBL_833234 (CHEMBL2067598)	Inhibition of human Rsk3
50040097	13	ChEMBL_833233 (CHEMBL2067597)	Inhibition of human Rsk2
50040097	14	ChEMBL_833232 (CHEMBL2067596)	Inhibition of human Rsk1
50040097	15	ChEMBL_833231 (CHEMBL2067595)	Inhibition of human JNK1alpha1
50040097	16	ChEMBL_833230 (CHEMBL2067594)	Inhibition of human GCK
50040097	17	ChEMBL_833229 (CHEMBL2067593)	Inhibition of human Flt4
50040097	18	ChEMBL_833228 (CHEMBL2067592)	Inhibition of human Flt3
50040098	1	ChEMBL_832987 (CHEMBL2067031)	Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assay
50040098	2	ChEMBL_832988 (CHEMBL2067032)	Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assay
50040098	3	ChEMBL_832989 (CHEMBL2067033)	Agonist activity at PPARgamma LBD in human 293H DA cells after 16 hrs by TR-FRET activation reporter assay
50040098	4	ChEMBL_832991 (CHEMBL2067035)	Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay
50040098	5	ChEMBL_832992 (CHEMBL2067036)	Displacement of pan-PPAR fluormone from PPARdelta LBD by TR-FRET based LanthaScreen assay
50040099	1	ChEMBL_833009 (CHEMBL2067053)	Competitive antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current after 30 secs by electrophysiological assay
50040099	2	ChEMBL_833008 (CHEMBL2067052)	Non-competitive antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current after 30 secs by electrophysiological assay
50040099	3	ChEMBL_833012 (CHEMBL2067056)	Mixed antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current after 30 secs by electrophysiological assay
50040099	4	ChEMBL_833017 (CHEMBL2067156)	Agonist activity at alpha4beta 2 nAChR
50040099	5	ChEMBL_833018 (CHEMBL2067157)	Partial agonist activity at alpha4beta 2 nAChR
50040099	6	ChEMBL_833019 (CHEMBL2067158)	Antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte assessed as inhibition of ACh-induced current after 30 secs by electrophysiological assay
50040100	1	ChEMBL_833020 (CHEMBL2067159)	Inhibition of human EAAT1 expressed in HEK293 cells assessed as inhibition of 3[H]-D-Aspartate uptake after 6 mins by scintillation counting method
50040100	2	ChEMBL_833022 (CHEMBL2067161)	Inhibition of human EAAT3 expressed in HEK293 cells assessed as inhibition of 3[H]-D-Aspartate uptake after 6 mins by scintillation counting method
50040100	3	ChEMBL_833021 (CHEMBL2067160)	Inhibition of human EAAT2 expressed in HEK293 cells assessed as inhibition of 3[H]-D-Aspartate uptake after 6 mins by scintillation counting method
50040101	1	ChEMBL_833247 (CHEMBL2067611)	Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured after 20 mins by time resolved fluorescence assay
50040101	2	ChEMBL_833042 (CHEMBL2067181)	Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured after 20 mins by time resolved fluorescence assay
50040101	3	ChEMBL_833040 (CHEMBL2067179)	Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay
50040101	4	ChEMBL_833041 (CHEMBL2067180)	Inhibition of human JAK1 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured after 20 mins by time resolved fluorescence assay
50040101	5	ChEMBL_833037 (CHEMBL2067176)	Inhibition of CYP3A4
50040102	1	ChEMBL_833575 (CHEMBL2066516)	Displacement of [125I] echistatin from alphaVbeta3 integrin isolated from human placenta after 3 hrs by liquid scintillation counter
50040103	1	ChEMBL_833819 (CHEMBL2067094)	Inhibition of human recombinant PDE4B2 by HTS cAMP assay
50040103	2	ChEMBL_833820 (CHEMBL2067095)	Inhibition of recombinant GSK3beta by KinaseGlo assay
50040104	1	ChEMBL_831490 (CHEMBL2066218)	Inhibition of GST-tagged human recombinant PTP1B using para-nitrophenyl phosphate as substrate by spectrophotometric analysis
50040105	1	ChEMBL_831501 (CHEMBL2066265)	Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay
50040106	1	ChEMBL_831541 (CHEMBL2066305)	Inhibition of VEGFR2
50040106	2	ChEMBL_831542 (CHEMBL2066306)	Inhibition of Aurora A
50040106	3	ChEMBL_831539 (CHEMBL2066303)	Inhibition of wild type FLT3
50040106	4	ChEMBL_831540 (CHEMBL2066304)	Inhibition of VEGFR1
50040106	5	ChEMBL_831545 (CHEMBL2066309)	Inhibition of FLT3 autophosphorylation in human MV4-11 cells after 2 hrs by Western blot analysis
50040107	1	ChEMBL_831557 (CHEMBL2064920)	Inhibition of Aurora A kinase by HTRF analysis in presence of 1 mM ATP
50040107	3	ChEMBL_831581 (CHEMBL2064944)	Inhibition of Src in presence of 10 uM ATP
50040107	4	ChEMBL_831582 (CHEMBL2064945)	Inhibition of TrkA in presence of 10 uM ATP
50040107	5	ChEMBL_831574 (CHEMBL2064937)	Inhibition of KDR in presence of 10 uM ATP
50040107	6	ChEMBL_831568 (CHEMBL2064931)	Inhibition of Flt3 in presence of 10 uM ATP
50040107	7	ChEMBL_831575 (CHEMBL2064938)	Inhibition of lck in presence of 10 uM ATP
50040107	8	ChEMBL_831571 (CHEMBL2064934)	Inhibition of Irak4 in presence of 10 uM ATP
50040107	9	ChEMBL_831567 (CHEMBL2064930)	Inhibition of Erk2 in presence of 10 uM ATP
50001244	4	ChEMBL_1713603 (CHEMBL4123652)	Inhibition of HIV-1 integrase strand transfer activity assessed as reduction in viral replication in presence of 40% human serum
50001244	5	ChEMBL_1713615 (CHEMBL4123664)	Inhibition of human CYP1A2
50001244	6	ChEMBL_1713616 (CHEMBL4123665)	Inhibition of human CYP2C9
50001244	7	ChEMBL_1713617 (CHEMBL4123666)	Inhibition of human CYP2C19
50001244	8	ChEMBL_1713618 (CHEMBL4123667)	Inhibition of human CYP2D6
50001244	9	ChEMBL_1713619 (CHEMBL4123668)	Inhibition of human CYP3A4
50001244	10	ChEMBL_1713620 (CHEMBL4123669)	Transactivation of human PXR
50001249	1	ChEMBL_1713663 (CHEMBL4123712)	Inhibition of Norovirus prototypic GII.4 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins for 20 mins by FRET assay
50001249	2	ChEMBL_1713664 (CHEMBL4123713)	Inhibition of Norovirus prototypic GI.1 3CL protease using HiLyte Fluor 488-labelled DFELQGPK as substrate incubated for 90 mins measured every mins for 20 mins by FRET assay
50040107	10	ChEMBL_831580 (CHEMBL2064943)	Inhibition of Rock2 in presence of 10 uM ATP
50040107	11	ChEMBL_831577 (CHEMBL2064940)	Inhibition of c-Met in presence of 10 uM ATP
50040107	12	ChEMBL_831576 (CHEMBL2064939)	Inhibition of Jnk1 in presence of 10 uM ATP
50040107	13	ChEMBL_831572 (CHEMBL2064935)	Inhibition of Jak2 in presence of 10 uM ATP
50040107	14	ChEMBL_831570 (CHEMBL2064933)	Inhibition of IGF1R in presence of 10 uM ATP
50040107	16	ChEMBL_831564 (CHEMBL2064927)	Inhibition of Camk4 in presence of 10 uM ATP
50040107	17	ChEMBL_831563 (CHEMBL2064926)	Inhibition of Alk1 in presence of 10 uM ATP
50040107	18	ChEMBL_831573 (CHEMBL2064936)	Inhibition of Jak3 in presence of 10 uM ATP
50040107	19	ChEMBL_831569 (CHEMBL2064932)	Inhibition of Gsk3alpha in presence of 10 uM ATP
50040107	20	ChEMBL_831566 (CHEMBL2064929)	Inhibition of EGFR in presence of 10 uM ATP
50040108	1	ChEMBL_831605 (CHEMBL2064968)	Antagonist activity at Vibrio fischeri LuxR-mediated quorum sensing expressed in Escherichia coli JB523 assessed as inhibition of C6-HSL-induced GFP expression after 24 hrs by reporter gene assay
50040109	1	ChEMBL_831633 (CHEMBL2064996)	Inhibition of cathepsin E using MCA-KPILFFRLK(Dnp)-D-R-NH2 as substrate incubated for 10 to 15 mins prior to substrate addition measured every 5 min for 2 hrs by fluorometry
50040109	2	ChEMBL_831636 (CHEMBL2064999)	Inhibition of cathepsin D using MCA-KPILFFRLK(Dnp)-D-R-NH2 as substrate incubated for 10 to 15 mins prior to substrate addition measured every 5 min for 2 hrs by fluorometry
50040110	1	ChEMBL_831638 (CHEMBL2065001)	Antagonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as inhibition of 3-oxoC6-HSL-induced quorum sensing activation measured after 4 to 5 hrs by reporter gene assay
50040110	2	ChEMBL_831639 (CHEMBL2065002)	Agonist activity at Vibrio fischeri LuxR expressed in Escherichia coli NM522 coexpressing LuxCDABE assessed as activation of 3-oxoC6-HSL-induced quorum sensing activation measured after 4 to 5 hrs by reporter gene assay
50040111	2	ChEMBL_831689 (CHEMBL2065052)	Inhibition of mTOR
50040111	3	ChEMBL_831690 (CHEMBL2065053)	Inhibition of PI3Kalpha
50040112	1	ChEMBL_831727 (CHEMBL2065090)	Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay
50040114	1	ChEMBL_831830 (CHEMBL2065394)	Displacement of [3H]CP-55,940 from rat brain CB1 receptor
50040114	2	ChEMBL_831829 (CHEMBL2065393)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells
50040114	3	ChEMBL_831828 (CHEMBL2065392)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells
50040115	1	ChEMBL_831837 (CHEMBL2065401)	Inhibition of human SGLT2 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay
50040115	2	ChEMBL_831838 (CHEMBL2065402)	Inhibition of human SGLT1 expressed in CHO-K1 cells incubated for 120 mins at 37 degC by [14C]-AMG uptake assay
50040116	1	ChEMBL_831926 (CHEMBL2066000)	Inhibition of EGFR
50040116	2	ChEMBL_831928 (CHEMBL2066002)	Inhibition of SRC
50040117	1	ChEMBL_831936 (CHEMBL2066010)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method
50040117	2	ChEMBL_831935 (CHEMBL2066009)	Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method
50040117	3	ChEMBL_831933 (CHEMBL2066007)	Inhibition of human plasmatic BChE using butylthiocholne substrate preincubated for 5 mins before substrate addition by Ellman's method
50040117	4	ChEMBL_831932 (CHEMBL2066006)	Inhibition of human recombinant AChE using acetylthiocholine substrate preincubated for 5 mins before substrate addition by Ellman's method
50040118	2	ChEMBL_831961 (CHEMBL2065219)	Inhibition of PI3Kdelta by high throughput chemoproteomics binding assay
50040118	3	ChEMBL_831962 (CHEMBL2065220)	Inhibition of PI3Kalpha by high throughput chemoproteomics binding assay
50040118	5	ChEMBL_831960 (CHEMBL2065218)	Inhibition of PI3Kgamma by high throughput chemoproteomics binding assay
50040118	6	ChEMBL_831963 (CHEMBL2065221)	Inhibition of PI3Kbeta by high throughput chemoproteomics binding assay
50040119	1	ChEMBL_831997 (CHEMBL2065293)	Inhibition of 5-lipoxygenase
50040119	2	ChEMBL_831996 (CHEMBL2065254)	Inhibition of COX2
50040120	1	ChEMBL_832031 (CHEMBL2065327)	Displacement of (-)-[3H]vesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 60 mins by liquid scintillation counting in presence of DTG
50040120	2	ChEMBL_832035 (CHEMBL2065331)	Binding affinity to VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting in presence of haloperidol
50040120	3	ChEMBL_832037 (CHEMBL2065333)	Binding affinity to VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting in presence of DTG
50040120	4	ChEMBL_832039 (CHEMBL2065481)	Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting
50040120	5	ChEMBL_832041 (CHEMBL2065483)	Binding affinity to VAChT in rat cerebral membrane
50040120	6	ChEMBL_832032 (CHEMBL2065328)	Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting
50040121	1	ChEMBL_832078 (CHEMBL2065520)	Inhibition of human SIRT3 expressed in Escherichia coli using Z-MAL as substrate after 6 hrs by fluorescence assay
50040122	1	ChEMBL_832283 (CHEMBL2066739)	Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells
50040122	2	ChEMBL_832284 (CHEMBL2066740)	Displacement of [3H]raclopride from human D2L receptor expressed in HEK293 cells
50040122	3	ChEMBL_832285 (CHEMBL2066741)	Displacement of [3H]raclopride from human D3 receptor expressed in HEK293 cells
50040123	1	ChEMBL_832295 (CHEMBL2066751)	Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine to 4-hydroxyquinoline conversion after 20 mins by fluorometry
50040123	2	ChEMBL_832296 (CHEMBL2066752)	Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine to 4-hydroxyquinoline conversion after 20 mins by fluorometry
50040124	1	ChEMBL_832307 (CHEMBL2066845)	Inhibition of human DPP9 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins
50040124	2	ChEMBL_832305 (CHEMBL2066843)	Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins
50040124	3	ChEMBL_832306 (CHEMBL2066844)	Inhibition of human DPP8 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins
50040125	1	ChEMBL_832312 (CHEMBL2066850)	Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis
50040125	2	ChEMBL_832310 (CHEMBL2066848)	Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysis
50040125	3	ChEMBL_832314 (CHEMBL2066852)	Inhibition of DNMT1 in human HeLa cell nuclear extract assessed as methylated substrate level by ELISA
50040125	4	ChEMBL_832311 (CHEMBL2066849)	Inhibition of Spiroplasma sp. MQ1 SssI methyltransferase-mediated DNA cytosine methylation using pUC18 as substrate and [3H]CH3-SAM measured up to 10 mins
50040125	5	ChEMBL_832313 (CHEMBL2066851)	Non-competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis
50001256	1	ChEMBL_1713672 (CHEMBL4123721)	Inhibition of human 20S constitutive proteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay
50001256	2	ChEMBL_1713673 (CHEMBL4123722)	Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
50001256	3	ChEMBL_1713675 (CHEMBL4123724)	Inhibition of human 20S immunoproteasome beta-2 using Bz-VGR-AMC as substrate after 60 mins by fluorescence assay
50040127	1	ChEMBL_832415 (CHEMBL2067139)	Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs
50040127	2	ChEMBL_832416 (CHEMBL2067140)	Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated intracellular cAMP accumulation after 30 mins by enzyme immunoassay
50040128	1	ChEMBL_832555 (CHEMBL2067441)	Displacement of 125[I-Sar1-Ile8]ANG II from human AT1 receptor expressed in HEK293 membranes after 1 hr by gamma counting
50040129	1	ChEMBL_832563 (CHEMBL2067501)	Inhibition of AKT1 by AKT1/PKBalpha KinEASE FP fluorescein green assay
50040130	1	ChEMBL_832745 (CHEMBL2067790)	Displacement of [3H]N/OFQ from human recombinant ORL1 receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay
50040130	2	ChEMBL_832747 (CHEMBL2067843)	Antagonist activity at human recombinant ORL1 receptor expressed in HEK293 cells assessed as inhibition of N/OFQ-induced [35S]GTPgammaS binding to alpha-unit of G-protein after 1.5 hrs by scintillation counting
50040130	3	ChEMBL_832746 (CHEMBL2067842)	Displacement of [3H]DAMGO from human recombinant MOP receptor expressed in CHO-K1 cells after 45 mins by scintillation proximity assay
50040131	1	ChEMBL_832750 (CHEMBL2067846)	Antagonist activity at CCR5 receptor in human MOLT4 cells assessed as inhibition of chemokine-induced calcium mobilization using Fluo-4-AM dye based fluorometric assay
50040132	1	ChEMBL_833911 (CHEMBL2072491)	Displacement of [35S]MK499 from human Erg expressed in HEK293 cells after 60 mins by scintillation counting
50040132	2	ChEMBL_833914 (CHEMBL2072494)	Binding affinity to human SST4 receptor expressed in CHO cells
50040132	3	ChEMBL_833915 (CHEMBL2072495)	Binding affinity to human SST5 receptor expressed in CHO cells
50001256	4	ChEMBL_1713676 (CHEMBL4123725)	Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
50040132	6	ChEMBL_833918 (CHEMBL2072498)	Binding affinity to mouse SST1 receptor expressed in CHO cells
50040132	7	ChEMBL_833919 (CHEMBL2072499)	Binding affinity to mouse SST2 receptor expressed in CHO cells
50040132	8	ChEMBL_833920 (CHEMBL2072500)	Binding affinity to mouse SST4 receptor expressed in CHO cells
50040132	11	ChEMBL_833912 (CHEMBL2072492)	Binding affinity to human SST1 receptor expressed in CHO cells
50040132	12	ChEMBL_833913 (CHEMBL2072493)	Binding affinity to human SST2 receptor expressed in CHO cells
50040132	13	ChEMBL_833921 (CHEMBL2072501)	Binding affinity to mouse SST5 receptor expressed in CHO cells
50040132	14	ChEMBL_833909 (CHEMBL2072489)	Displacement of [125I]SS-14 from human SST3 receptor expressed in CHO cells after 60 mins by scintillation counting
50040133	1	ChEMBL_834046 (CHEMBL2072786)	Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mobility shift assay
50040133	2	ChEMBL_834047 (CHEMBL2072787)	Inhibition of human phosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mobility shift assay
50040134	1	ChEMBL_834061 (CHEMBL2072801)	Inhibition of human recombinant His6-tagged NAAA expressed in HEK293 cells using 10-cis-heptadecenoylethanolamide as substrate after 30 mins by UPLC/MS analysis
50040135	1	ChEMBL_834087 (CHEMBL2072827)	Inhibition of CYP2C19
50040135	2	ChEMBL_834085 (CHEMBL2072825)	Inhibition of CYP2J2
50040135	3	ChEMBL_834086 (CHEMBL2072826)	Inhibition of CYP2C9
50040136	1	ChEMBL_834153 (CHEMBL2072893)	Inhibition of BuChE activity in rat plasma using butyrylcholine as substrate by Ellman's method
50040136	2	ChEMBL_834152 (CHEMBL2072892)	Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method
50040137	1	ChEMBL_834174 (CHEMBL2072914)	Inhibition of human recombinant CYP1A2 coexpressed in Escherichia coli using phenacetin as probe
50040137	2	ChEMBL_834173 (CHEMBL2072913)	Inhibition of human recombinant CYP2C19 coexpressed in Escherichia coli
50040137	3	ChEMBL_834172 (CHEMBL2072912)	Inhibition of human recombinant CYP2C9 coexpressed in Escherichia coli
50040137	4	ChEMBL_834171 (CHEMBL2072911)	Inhibition of human recombinant CYP2C8 coexpressed in Escherichia coli
50040137	5	ChEMBL_834170 (CHEMBL2072910)	Inhibition of human recombinant CYP2D6 coexpressed in Escherichia coli
50040137	6	ChEMBL_834169 (CHEMBL2072909)	Inhibition of human recombinant CYP3A4 coexpressed in Escherichia coli
50040137	7	ChEMBL_834187 (CHEMBL2072927)	Inhibition of human ERG channel expressed in CHO cells by patch clamp assay
50040138	1	ChEMBL_834189 (CHEMBL2072929)	Binding affinity to PPARgamma
50040138	2	ChEMBL_834190 (CHEMBL2072930)	Agonist activity at PPARalpha
50040138	3	ChEMBL_834193 (CHEMBL2072933)	Agonist activity at human PPARalpha
50040138	4	ChEMBL_834194 (CHEMBL2072934)	Agonist activity at rat PPARalpha
50040139	1	ChEMBL_834203 (CHEMBL2072943)	Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphor imaging method
50040139	2	ChEMBL_834204 (CHEMBL2072944)	Inhibition of human ABL using EAIYAAPFAKKK-OH as substrate by phosphor imaging method
50040139	3	ChEMBL_834205 (CHEMBL2072945)	Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins
50040139	4	ChEMBL_834206 (CHEMBL2072946)	Inhibition of human p38alpha using myelin basic protein as substrate after 180 mins
50040139	5	ChEMBL_834207 (CHEMBL2072947)	Inhibition of human EPHA3 using myelin basic protein as substrate after 120 mins
50040139	6	ChEMBL_834208 (CHEMBL2072948)	Inhibition of human CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 mins
50040139	7	ChEMBL_834209 (CHEMBL2072949)	Inhibition of human EGFR using poly glu-Tyr as substrate after 30 mins
50040140	1	ChEMBL_834293 (CHEMBL2073113)	Antagonist activity at human TRalpha assessed as inhibition of interaction with SRC2-2 by fluorescence polarisation assay
50040140	2	ChEMBL_834294 (CHEMBL2073114)	Antagonist activity at human PPAR-gamma assessed as inhibition of interaction with DRIP-2 by fluorescence polarisation assay
50040140	3	ChEMBL_834215 (CHEMBL2072982)	Antagonist activity at human TRbeta assessed as inhibition of interaction with SRC2-2 after 3 hrs by fluorescence polarisation assay
50040141	1	ChEMBL_834301 (CHEMBL2073121)	Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells assessed as induction of cMAP accumulation in presence of 0.1% human serum albumin
50040141	2	ChEMBL_834297 (CHEMBL2073117)	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin
50001257	1	ChEMBL_1713682 (CHEMBL4123731)	Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry based Lineweaver-Burk plot analysis
50001261	1	ChEMBL_1713734 (CHEMBL4123783)	Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method
50040141	4	ChEMBL_834299 (CHEMBL2073119)	Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin
50001261	2	ChEMBL_1713735 (CHEMBL4123784)	Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method
50001261	3	ChEMBL_1713733 (CHEMBL4123782)	Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method
50040142	1	ChEMBL_834314 (CHEMBL2073134)	Inhibition of alpha-1,3-GalT in bovine after 15 mins by Dixon plot analysis
50040143	1	ChEMBL_834356 (CHEMBL2073218)	Inhibition of human erythrocyte Cu-Zn SOD by NBT reduction assay
50040144	1	ChEMBL_834566 (CHEMBL2072274)	Displacement of 3[H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 mins by Liquid scintillation analysis
50040144	2	ChEMBL_834567 (CHEMBL2072275)	Displacement of 3[H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by Liquid scintillation analysis
50040144	3	ChEMBL_834568 (CHEMBL2072276)	Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins gamma counter
50040144	4	ChEMBL_834569 (CHEMBL2072277)	Displacement of 3[H]R-PIA from rat A1 adenosine receptor expressed in CHO cells after 60 min by Liquid scintillation analysis
50040144	5	ChEMBL_834570 (CHEMBL2072278)	Displacement of 3[H]CGS21680 from rat A2A adenosine receptor expressed in HEK293 cells after 60 min by Liquid scintillation analysis
50040144	6	ChEMBL_834576 (CHEMBL2072284)	Displacement of [125I]I-AB-MECA from rat A3 adenosine receptor expressed in CHO cells after 60 min by Liquid scintillation analysis
50040144	7	ChEMBL_834578 (CHEMBL2072286)	Partial agonist activity at human A1 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins
50040144	8	ChEMBL_834579 (CHEMBL2072287)	Agonist activity at human A2A adenosine receptor expressed in CHO cells assessed as stimulation of forskolin-induced cAMP accumulation after 30 mins
50040145	1	ChEMBL_834693 (CHEMBL2072669)	Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum
50040145	2	ChEMBL_834602 (CHEMBL2072402)	Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by IMAP FRET assay
50040145	3	ChEMBL_834691 (CHEMBL2072667)	Binding affinity to PDE10A in Sprague-Dawley rat striatum by TopCount analysis
50040145	4	ChEMBL_834687 (CHEMBL2072573)	Binding affinity to human truncated CM5-labeled PDE10A by surface plasmon resonance method
50040146	1	ChEMBL_834730 (CHEMBL2072706)	Inhibition of human ERG
50001261	4	ChEMBL_1713739 (CHEMBL4123788)	Binding affinity to alpha1A adrenergic receptor (unknown origin)
50001261	5	ChEMBL_1713740 (CHEMBL4123789)	Binding affinity to alpha1B adrenergic receptor (unknown origin)
50001261	6	ChEMBL_1713741 (CHEMBL4123790)	Binding affinity to alpha1D adrenergic receptor (unknown origin)
50001261	7	ChEMBL_1713745 (CHEMBL4123794)	Binding affinity to human alpha1B adrenergic receptor
50001263	1	ChEMBL_1713756 (CHEMBL4123805)	Inhibition of porcine pancreatic alpha-amylase using starch as substrate after 30 mins by iodine reagent based assay
50001263	2	ChEMBL_1713759 (CHEMBL4123808)	Antiglycation activity in bovine serum albumin assessed as inhibition of advanced glycated end product formation after 24 hrs in presence of alpha-D-glucose by fluorescence assay
50001262	1	ChEMBL_1713838 (CHEMBL4123887)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by amplex red reagent based fluorescence assay
50001262	2	ChEMBL_1713837 (CHEMBL4123886)	Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method
50001262	3	ChEMBL_1713851 (CHEMBL4123900)	Displacement of [3H]NECA from A3 receptor in human HeLa cell membranes after 180 mins by beta-scintillation counting method
50001262	4	ChEMBL_1713842 (CHEMBL4123891)	Displacement of [3H]DPCPX from human A1 receptor expressed in cell membranes after 60 mins by beta-scintillation counting method
50001262	5	ChEMBL_1713843 (CHEMBL4123892)	Displacement of [3H]DPCPX from human A2B receptor expressed in cell membranes after 30 mins by beta-scintillation counting method
50001262	6	ChEMBL_1713836 (CHEMBL4123885)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by amplex red reagent based fluorescence assay
50001264	1	ChEMBL_1713861 (CHEMBL4123910)	Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis
50001265	1	ChEBML_1713878	Inhibition of ATX (unknown origin) assessed as decrease in choline release
50001265	5	ChEMBL_1713882 (CHEMBL4123931)	Inhibition of human ERG expressed in CHO-K1 cells at -90 mV holding potential by Qpatch clamp assay
50001265	3	ChEMBL_1713890 (CHEMBL4123939)	Inhibition of ATX in human serum assessed as reduction in LPA 18:1 levels after 3 hrs by LC-MS/MS analysis
50001265	6	ChEMBL_1713878 (CHEMBL4123927)	Inhibition of ATX (unknown origin) assessed as decrease in choline release
50001265	2	ChEMBL_1713877 (CHEMBL4123926)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting method
50001266	1	ChEMBL_1713917 (CHEMBL4123966)	Displacement of [125I]IMPY from fibrillar amyloid beta 42 (unknown origin) after 3 hrs
50001266	2	ChEMBL_1713912 (CHEMBL4123961)	Antagonist activity at PAR2 in human HEK293 cells assessed as inhibition of trypsin-induced intracellular calcium flux pretreated for 15 mins followed by trypsin addition by Fluo-8 dye based fluorescence assay
50001266	3	ChEMBL_1713915 (CHEMBL4123964)	Antagonist activity at PAR2 in human 1321N1 cells assessed as inhibition of trypsin-induced intracellular calcium flux pretreated for 60 mins followed by trypsin addition by Fluo-8 NW dye based FLIPR assay
50001266	4	ChEMBL_1713916 (CHEMBL4123965)	Antagonist activity at PAR2 in human HEK293 cells assessed as inhibition of SLIGRL-induced intracellular calcium flux preincubated for 10 mins followed by SLIGRL-induction measured after 24 hrs by Fluo4-AM dye-based fluorescence assay
50001267	1	ChEMBL_1713933 (CHEMBL4123982)	Inhibition of Dengue virus RdRp activity using 5'-(TCAG)20(TCCAAG)14(TCAG)20-3' as template measured after 120 mins
50001267	2	ChEMBL_1713929 (CHEMBL4123978)	Inhibition of Dengue virus 4 NS5 full length RdRp activity using RNA as template assessed as inhibition of NTPs incorporation after 90 mins by FAPA assay
50001267	3	ChEMBL_1713926 (CHEMBL4123975)	Inhibition of Dengue virus 2 NS5 full length RdRp activity using RNA as template/primer assessed as inhibition of [alpha3P]GTP incorporation by SDS-PAGE analysis
50001268	1	ChEMBL_1713939 (CHEMBL4123988)	Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysis
50040149	2	ChEMBL_834864 (CHEMBL2073181)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production
50040149	4	ChEMBL_834861 (CHEMBL2073178)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter
50040149	5	ChEMBL_834862 (CHEMBL2073179)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter
50001270	1	ChEMBL_1713961 (CHEMBL4124010)	Inhibition of CYP19 (unknown origin) by Becton Dickinson aromatase assay
50001270	2	ChEMBL_1713960 (CHEMBL4124009)	Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated for 60 mins followed by substrate addition measured after 4 hrs Topcount method
50001270	3	ChEMBL_1713962 (CHEMBL4124011)	Inhibition of human CYP3A4 using testosterone as substrate by LC-MS/MS analysis
50040150	1	ChEMBL_834869 (CHEMBL2073229)	Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding
50040150	2	ChEMBL_834870 (CHEMBL2073230)	Allosteric modulation of human recombinant CB1 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding
50040150	3	ChEMBL_834876 (CHEMBL2073236)	Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as inhibition of [3H]CP55940 binding
50040150	4	ChEMBL_834875 (CHEMBL2073235)	Allosteric modulation of human recombinant CB2 receptor expressed in HEK293 cells assessed as stimulation of [3H]CP55940 binding
50040151	1	ChEMBL_834989 (CHEMBL2073442)	Antagonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galactosidase assay
50040151	2	ChEMBL_834995 (CHEMBL2073448)	Transcriptional activation of ERalpha receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay
50040151	3	ChEMBL_834996 (CHEMBL2073449)	Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay
50040151	4	ChEMBL_834997 (CHEMBL2073450)	Transcriptional repression of ERalpha receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay
50040151	5	ChEMBL_834998 (CHEMBL2073451)	Transcriptional repression of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay
50040151	6	ChEMBL_834988 (CHEMBL2073441)	Antagonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as inhibition of interaction with SRC1 after 24 hrs by alpha-galactosidase assay
50040151	7	ChEMBL_834987 (CHEMBL2073440)	Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay
50040151	8	ChEMBL_834986 (CHEMBL2073439)	Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay
50001260	1	ChEMBL_1713980 (CHEMBL4124029)	Inhibition of rat sEH using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by fluorescent based assay
50001260	2	ChEMBL_1713978 (CHEMBL4124027)	Inhibition of recombinant human sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by fluorescent based assay
50001260	3	ChEMBL_1713979 (CHEMBL4124028)	Inhibition of recombinant mouse sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by fluorescent based assay
50040152	4	ChEMBL_835016 (CHEMBL2073508)	Inhibition of KDR by TR-FRET analysis
50040152	5	ChEMBL_835017 (CHEMBL2073509)	Inhibition of Aurora A by TR-FRET analysis
50040152	6	ChEMBL_835018 (CHEMBL2073510)	Inhibition of Flt3 by TR-FRET analysis
50040152	7	ChEMBL_835019 (CHEMBL2073511)	Inhibition of GSK3beta by TR-FRET analysis
50040152	8	ChEMBL_835021 (CHEMBL2073513)	Inhibition of Lck by TR-FRET analysis
50040152	9	ChEMBL_835167 (CHEMBL2072345)	Inhibition of FGFR2 by TR-FRET analysis
50040152	10	ChEMBL_835168 (CHEMBL2072346)	Inhibition of Syk by TR-FRET analysis
50040152	11	ChEMBL_835169 (CHEMBL2072347)	Inhibition of PKCepsilon by TR-FRET analysis
50040152	12	ChEMBL_835170 (CHEMBL2072348)	Inhibition of Wee1 by TR-FRET analysis
50040152	3	ChEMBL_835016 (CHEMBL2073508)	Inhibition of KDR by TR-FRET analysis
50040152	13	ChEMBL_835020 (CHEMBL2073512)	Inhibition of PDGFRalpha by TR-FRET analysis
50040153	1	ChEMBL_835198 (CHEMBL2072457)	Inhibition of glucose-6-phosphatase enzymatic activity in rat H42E cells using G6P substrate incubated for 18 hrs by colorimetric assay
50040154	1	ChEMBL_835213 (CHEMBL2072472)	Inhibition of iNOS
50040155	1	ChEMBL_833863 (CHEMBL2072352)	Inhibition of human AChE pre-incubated for 10 mins before acetylthiocholine iodide substrate addition
50040156	1	ChEMBL_833969 (CHEMBL2072655)	Inhibition of mPGES-1-mediated PGE2 formation in IL-1beta-stimulated human A549 cells preincubated for 10 mins measured after 1 min by RP-HPLC analysis
50040157	1	ChEMBL_833983 (CHEMBL2072723)	Displacement of [125I]MRS2500 from human P2Y1R expressed in Sf9 cell membrane
50040157	2	ChEMBL_833986 (CHEMBL2072726)	Antagonist activity at human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2-MeSADP-induced increase in intracellular inositol phosphate generation
50040158	1	ChEMBL_833987 (CHEMBL2072727)	Inhibition of nNOS in rat cerebellum homogenates assessed as reduction in conversion of L-[3H]arginine to L-[3H]citrulline
50040159	1	ChEMBL_833999 (CHEMBL2072739)	Inhibition of human ERG by patch clamp assay
50040159	2	ChEMBL_833990 (CHEMBL2072730)	Positive allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as stimulation of glutamate-induced calcium flux by FLIPR method
50040159	3	ChEMBL_833991 (CHEMBL2072731)	Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method
50040159	4	ChEMBL_833993 (CHEMBL2072733)	Displacement of [3H]NAM from mGluR5
50040159	5	ChEMBL_833994 (CHEMBL2072734)	Inhibition of CYP1A2
50040159	6	ChEMBL_833995 (CHEMBL2072735)	Inhibition of CYP2C9
50040159	7	ChEMBL_833996 (CHEMBL2072736)	Inhibition of CYP2C19
50040159	8	ChEMBL_833997 (CHEMBL2072737)	Inhibition of CYP2D6
50040159	9	ChEMBL_833998 (CHEMBL2072738)	Inhibition of CYP3A4
50040160	1	ChEMBL_834030 (CHEMBL2072770)	Displacement of [125I]ghrelin from GHS receptor
50040160	2	ChEMBL_834035 (CHEMBL2072775)	Displacement of [3H]SR141716A from CB1 receptor
50040160	3	ChEMBL_834010 (CHEMBL2072750)	Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay
50040160	4	ChEMBL_834011 (CHEMBL2072751)	Inhibition of human NaV1.5 expressed in CHO cells by IonWorks assay
50040160	5	ChEMBL_834012 (CHEMBL2072752)	Inhibition of human ERG expressed in CHO cells by IonWorks HT assay
50040160	6	ChEMBL_834029 (CHEMBL2072769)	Displacement of [125I]RTI-55 from DAT
50040161	1	ChEMBL_834363 (CHEMBL2073279)	Binding affinity to human Tau aggregates after 30 mins by Thioflavin-S-based fluorescence assay
50040162	1	ChEMBL_834415 (CHEMBL2073377)	Inhibition of CYP1A2
50040164	1	ChEMBL_834621 (CHEMBL2072421)	Inhibition of recombinant human DPP4 after 1 hr by fluorescence assay
50040164	2	ChEMBL_834622 (CHEMBL2072422)	Inhibition of DPP9
50040164	3	ChEMBL_834623 (CHEMBL2072423)	Inhibition of mouse DPP4
50040164	4	ChEMBL_834635 (CHEMBL2072521)	Inhibition of CYP3A4
50040165	1	ChEMBL_834660 (CHEMBL2072546)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate
50040165	2	ChEMBL_834663 (CHEMBL2072549)	Binding affinity to sigma1 receptor in guinea pig brain homogenate
50040165	3	ChEMBL_834665 (CHEMBL2072551)	Binding affinity to sigma1 receptor
50040165	4	ChEMBL_834667 (CHEMBL2072553)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate after 120 mins
50040166	1	ChEMBL_834781 (CHEMBL2073049)	Inhibition of c-Src
50040166	2	ChEMBL_834782 (CHEMBL2073050)	Inhibition of Abl
50040166	3	ChEMBL_834791 (CHEMBL2073059)	Inhibition of VEGFR2 expressed in porcine aortic endothelial cells
50040167	1	ChEMBL_834919 (CHEMBL2073329)	Inhibition of human ERG by Rb efflux assay
50040168	1	ChEMBL_834925 (CHEMBL2073335)	Inhibition of CYP1A2
50040168	2	ChEMBL_834928 (CHEMBL2073338)	Inhibition of CYP2D6
50040168	3	ChEMBL_834927 (CHEMBL2073337)	Inhibition of CYP2C9
50040168	4	ChEMBL_834926 (CHEMBL2073336)	Inhibition of CYP2C19
50040168	5	ChEMBL_834929 (CHEMBL2073339)	Inhibition of CYP3A4
50040168	6	ChEMBL_834924 (CHEMBL2073334)	Displacement of [125I]PYY from mouse NPY Y5 receptor
50040169	1	ChEMBL_834947 (CHEMBL2073357)	Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysis
50040170	1	ChEMBL_835026 (CHEMBL2073518)	Inhibition of human recombinant SGK1
50040171	1	ChEMBL_835035 (CHEMBL2073527)	Inhibition of IKKbeta in mouse CIA model splenocytes assessed as inhibition of TNFalpha production after 72 hrs by ELISA
50040171	2	ChEMBL_835036 (CHEMBL2073528)	Inhibition of IKKalpha
50040171	3	ChEMBL_835037 (CHEMBL2073529)	Inhibition of MAPK p38alpha
50040171	4	ChEMBL_835038 (CHEMBL2073530)	Inhibition of MAPK p38beta
50040171	5	ChEMBL_835039 (CHEMBL2073531)	Inhibition of JNK1
50040171	6	ChEMBL_835040 (CHEMBL2073532)	Inhibition of JNK2
50040171	7	ChEMBL_835041 (CHEMBL2073533)	Inhibition of JNK3
50040171	8	ChEMBL_835033 (CHEMBL2073525)	Inhibition of IKKbeta using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins prior to substrate addition by IMAP-TR-FRET assay
50040172	1	ChEMBL_835072 (CHEMBL2073616)	Inhibition of PDE8B expressed in Sf9 insect cells
50040172	2	ChEMBL_835080 (CHEMBL2073624)	Inhibition of PDE8A
50040172	3	ChEMBL_835085 (CHEMBL2073629)	Inhibition of human ERG
50040173	1	ChEMBL_834955 (CHEMBL2073365)	Inhibition of human recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
50040173	2	ChEMBL_834956 (CHEMBL2073366)	Inhibition of human recombinant cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
50040173	3	ChEMBL_834957 (CHEMBL2073367)	Inhibition of human recombinant cathepsin S using Z-Val-Val-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
50040173	4	ChEMBL_834958 (CHEMBL2073368)	Inhibition of human recombinant cathepsin B using Z-Arg-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
50040173	5	ChEMBL_834959 (CHEMBL2073369)	Inhibition of human ERG
50040173	6	ChEMBL_834953 (CHEMBL2073363)	Inhibition of dog recombinant cathepsin K using Z-Phe-Arg-AMC as substrate preincubated for 30 mins measured after 1 hr by quenched fluorescent resonance energy transfer assay
50040173	7	ChEMBL_835097 (CHEMBL2073641)	Inhibition of CYP3A4
50040173	8	ChEMBL_835098 (CHEMBL2073642)	Inhibition of CYP2D6
50040173	9	ChEMBL_835099 (CHEMBL2073643)	Inhibition of CYP2C9
50040173	10	ChEMBL_835100 (CHEMBL2073644)	Inhibition of CYP2C19
50040173	11	ChEMBL_835101 (CHEMBL2073645)	Inhibition of CYP1A2
50040174	1	ChEMBL_834239 (CHEMBL2073006)	Inhibition of mTOR
50040174	3	ChEMBL_834241 (CHEMBL2073008)	Inhibition of Vps34
50040174	4	ChEMBL_834242 (CHEMBL2073009)	Inhibition of PI4Kbeta
50040174	5	ChEMBL_834243 (CHEMBL2073010)	Inhibition of CLK1
50040174	6	ChEMBL_834244 (CHEMBL2073011)	Inhibition of CLK2
50040174	7	ChEMBL_834262 (CHEMBL2073029)	Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay
50040174	8	ChEMBL_834263 (CHEMBL2073030)	Inhibition of recombinant GST-tagged PI3K p110delta by KinaseGlo assay
50040174	9	ChEMBL_834264 (CHEMBL2073031)	Inhibition of recombinant GST-tagged PI3K p110beta by KinaseGlo assay
50040174	10	ChEMBL_834261 (CHEMBL2073028)	Inhibition of recombinant GST-tagged PI3K p110gamma by KinaseGlo assay
50040174	11	ChEMBL_834229 (CHEMBL2072996)	Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay
50040174	12	ChEMBL_834262 (CHEMBL2073029)	Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay
50040174	13	ChEMBL_834231 (CHEMBL2072998)	Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay
50040174	14	ChEMBL_834232 (CHEMBL2072999)	Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay
50040175	1	ChEMBL_834267 (CHEMBL2073034)	Inhibition of human recombinant CYP1B1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay
50040175	2	ChEMBL_834265 (CHEMBL2073032)	Inhibition of human recombinant CYP1A2 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay
50040175	3	ChEMBL_834266 (CHEMBL2073033)	Inhibition of human recombinant CYP1A1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay
50040176	1	ChEMBL_834286 (CHEMBL2073106)	Inhibition of Mycobacterium tuberculosis chorismate mutase using chorismate substrate in dose response study by spectrophotometry
50040177	1	ChEMBL_835232 (CHEMBL2072589)	Inhibition of c-Met incubated for 60 mins at spectrophotometry
50040177	2	ChEMBL_835238 (CHEMBL2072595)	Inhibition of Ron
50040177	3	ChEMBL_835239 (CHEMBL2072596)	Inhibition of Mer
50040177	4	ChEMBL_835240 (CHEMBL2072597)	Inhibition of TYRO3
50040177	5	ChEMBL_835241 (CHEMBL2072598)	Inhibition of Axl
50040177	6	ChEMBL_835242 (CHEMBL2072599)	Inhibition of KDR
50040177	7	ChEMBL_835243 (CHEMBL2072600)	Inhibition of EGFR
50040177	8	ChEMBL_835244 (CHEMBL2072601)	Inhibition of FGFR1
50040177	9	ChEMBL_835246 (CHEMBL2072603)	Inhibition of FLT1
50040177	10	ChEMBL_835247 (CHEMBL2072604)	Inhibition of ABL
50040177	11	ChEMBL_835248 (CHEMBL2072605)	Inhibition of RET
50040177	12	ChEMBL_835249 (CHEMBL2072606)	Inhibition of EPHA2
50040177	13	ChEMBL_835250 (CHEMBL2072607)	Inhibition of ERBB2
50040177	14	ChEMBL_835251 (CHEMBL2072608)	Inhibition of ERBB4
50040178	1	ChEMBL_835270 (CHEMBL2071976)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Ca2+-induced intracellular calcium flux by FLIPR assay
50040178	2	ChEMBL_835269 (CHEMBL2071975)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of Zn2+-induced intracellular calcium flux by FLIPR assay
50040179	1	ChEMBL_835275 (CHEMBL2071981)	Inhibition of ERBB2 autophosphorylation Thr 1139 residue in human BT474 cells at 2 to 14 uM after 12 hrs by fluorescence assay
50040179	2	ChEMBL_835274 (CHEMBL2071980)	Binding affinity to full-lenght/His-tagged ERBB2 UV-vis emission spectroscopy
50040180	1	ChEMBL_835281 (CHEMBL2071987)	Displacement of [125I]-c(RGDyK) from human integrin alphavbeta3 after 16 hrs by scintillation counting
50040181	1	ChEMBL_835301 (CHEMBL2072007)	Inhibition of CK1alpha by Lance assay
50040181	2	ChEMBL_835302 (CHEMBL2072008)	Inhibition of CK1delta by Lance assay
50040181	3	ChEMBL_835303 (CHEMBL2072009)	Inhibition of GSK3beta by AlphaScreen assay
50040181	4	ChEMBL_835304 (CHEMBL2072010)	Inhibition of CK1gamma2 expressed in HEK293 cells assessed as inhibition of LRP6 Thr1479 phosphorylation by immunoblotting
50040182	1	ChEMBL_835316 (CHEMBL2072022)	Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate after 1 hr by serine hydrolase activity-based probe assay
50040182	2	ChEMBL_835313 (CHEMBL2072019)	Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr
50040182	3	ChEMBL_835312 (CHEMBL2072018)	Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr
50040183	1	ChEMBL_835320 (CHEMBL2072026)	Inhibition of human recombinant full-length Syk using poly-GT as substrate after 40 mins by radioactive filtration assay
50040184	1	ChEMBL_835400 (CHEMBL2072106)	Inhibition of alpha4beta7 assessed as inhibition of Mn(2+)-activated adhesion of mouse TK-1 T cells to mouse MAdCAM-1 incubated for 1 hr by cell adhesion assay
50040185	1	ChEMBL_835424 (CHEMBL2072130)	Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillation counting
50040185	2	ChEMBL_835427 (CHEMBL2072133)	Agonist activity at mouse GPR142 assessed as inositol phosphate accumulation
50040185	3	ChEMBL_835426 (CHEMBL2072132)	Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillation counting in presence of human serum
50040185	4	ChEMBL_835433 (CHEMBL2072139)	Inhibition of CYP3A4
50040185	5	ChEMBL_835434 (CHEMBL2072140)	Inhibition of CYP2D6
50040185	6	ChEMBL_835435 (CHEMBL2072141)	Inhibition of CYP2C9
50040186	1	ChEMBL_835445 (CHEMBL2072151)	Inhibition of core catalytic domain of PDE4B
50040186	2	ChEMBL_835444 (CHEMBL2072150)	Inhibition of core catalytic domain of PDE3A
50040187	1	ChEMBL_835449 (CHEMBL2072155)	Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry
50040187	2	ChEMBL_835454 (CHEMBL2072160)	Inhibition of human cathepsin D
50040188	1	ChEMBL_835519 (CHEMBL2072225)	Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay
50040188	2	ChEMBL_835522 (CHEMBL2072228)	Inhibition of Cdk5/p25-mediated myosin heavy chain phosphorylation in HEK293 cells
50040189	1	ChEMBL_835612 (CHEMBL2071723)	Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry
50040189	2	ChEMBL_835613 (CHEMBL2071724)	Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry
50040189	3	ChEMBL_835614 (CHEMBL2071725)	Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry
50040189	4	ChEMBL_835615 (CHEMBL2071726)	Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry
50040189	5	ChEMBL_835619 (CHEMBL2071730)	Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry
50040189	6	ChEMBL_835620 (CHEMBL2071731)	Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry
50040189	7	ChEMBL_835621 (CHEMBL2071732)	Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry
50040190	1	ChEMBL_835647 (CHEMBL2071758)	Inhibition of EGFR in human A431 cell lysate using tyrosine/glutamic acid polymer as substrate by ELISA
50040190	2	ChEMBL_835649 (CHEMBL2071760)	Inhibition of recombinant HER2 expressed in baculovirus infected Sf9 cells using [32P]ATP incubated for 30 mins prior to ATP addition measured after 20 mins by liquid scintillation counting
50040190	3	ChEMBL_835650 (CHEMBL2071761)	Inhibition of VEGFR2 using ATP incubated for 30 mins prior to ATP addition measured after 60 mins by fluorimetry
50040191	1	ChEMBL_835657 (CHEMBL2071768)	Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique
50040191	2	ChEMBL_835654 (CHEMBL2071765)	Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique
50040191	3	ChEMBL_835655 (CHEMBL2071766)	Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique
50040191	4	ChEMBL_835656 (CHEMBL2071767)	Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique
50040192	1	ChEMBL_835661 (CHEMBL2071772)	Inhibition of human 11beta-HSD1
50040192	2	ChEMBL_835662 (CHEMBL2071773)	Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay
50040192	5	ChEMBL_835667 (CHEMBL2071778)	Inhibition of human 11beta-HSD2
50040193	1	ChEMBL_835688 (CHEMBL2071799)	Inhibition of human soluble epoxide hydrolase pre-incubated for 5 mins at 30 degC before CMNPC fluorescent substrate addition by fluorimetric assay
50001269	1	ChEMBL_1713981 (CHEMBL4124030)	Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR assay
50001269	2	ChEMBL_1713989 (CHEMBL4124038)	Antagonist activity at P2X7 receptor (unknown origin)
50001269	3	ChEMBL_1713986 (CHEMBL4124035)	Antagonist activity at P2X2 receptor (unknown origin)
50001269	4	ChEMBL_1713988 (CHEMBL4124037)	Antagonist activity at P2X4 receptor (unknown origin)
50001269	5	ChEMBL_1713987 (CHEMBL4124036)	Antagonist activity at P2X2/3 receptor (unknown origin)
50001269	6	ChEMBL_1713985 (CHEMBL4124034)	Antagonist activity at P2X1 receptor (unknown origin)
50001271	1	ChEMBL_1714005 (CHEMBL4124054)	Inhibition of Staphylococcus aureus MurA assessed as reduction in [3H]GlcNAc uptake
50001271	2	ChEMBL_1714001 (CHEMBL4124050)	Inhibition of GST-tagged Staphylococcus aureus MurA expressed in Escherichia coli BL21(DE3) cells preincubated with PEP and enzyme for 10 mins followed by UDP-GlcNAc addition measured after 3 hrs by HPLC analysis
50001272	1	ChEMBL_1714006 (CHEMBL4124055)	Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mobilization preincubated for 10 mins followed by CCL2 addition by fluo-4 AM dye based assay
50001272	2	ChEMBL_1714007 (CHEMBL4124056)	Antagonist activity at CCR5 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of Rantes-induced intracellular Ca2+ mobilization preincubated for 10 mins followed by Rantes addition by fluo-4 AM dye based assay
50001272	3	ChEMBL_1714009 (CHEMBL4124058)	Binding affinity to human CCR2
50040195	1	ChEMBL_835728 (CHEMBL2071839)	Inhibition of LIMK1
50040195	2	ChEMBL_835729 (CHEMBL2071840)	Inhibition of MAPK p38alpha
50040195	3	ChEMBL_835730 (CHEMBL2071841)	Inhibition of LIMK2
50040195	4	ChEMBL_835731 (CHEMBL2071842)	Inhibition of TESK1
50040195	5	ChEMBL_835732 (CHEMBL2071843)	Inhibition of TESK2
50040196	1	ChEMBL_835769 (CHEMBL2071880)	Inhibition of human recombinant PDE10A-catalyzed cAMP hydrolysis
50040197	1	ChEMBL_835804 (CHEMBL2071915)	Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins
50040198	1	ChEMBL_835825 (CHEMBL2071936)	Activation of Kv7.1 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay
50040198	2	ChEMBL_835827 (CHEMBL2071938)	Activation of KCNQ2 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay relative to control
50040198	3	ChEMBL_835828 (CHEMBL2071939)	Activation of KCNQ4 channel expressed in CHO cells assessed as depolarization-induced thallium influx after 3 mins by patch clamp assay relative to control
50040198	4	ChEMBL_835833 (CHEMBL2071944)	Inhibition of human ERG expressed in CHO cells after 3 mins by patch clamp assay
50040199	1	ChEMBL_835849 (CHEMBL2071960)	Inhibition of KDM4C
50040199	2	ChEMBL_835850 (CHEMBL2071961)	Inhibition of KDM6A
50040199	3	ChEMBL_835846 (CHEMBL2071957)	Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay
50040200	1	ChEMBL_837977 (CHEMBL2075146)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in Xenopus laevis oocytes
50040201	1	ChEMBL_837214 (CHEMBL2076758)	TP_TRANSPORTER: inhibition of Calcein-AM efflux in CEM/VBL 100 cells
50040201	2	ChEMBL_837276 (CHEMBL2075365)	TP_TRANSPORTER: inhibition of Calcein-AM efflux in CEM/VLB100 cells
50040202	1	ChEMBL_838517 (CHEMBL2078145)	TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells
50040203	1	ChEMBL_836339 (CHEMBL2076503)	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes
50040203	2	ChEMBL_836338 (CHEMBL2076502)	TP_TRANSPORTER: inhibition of dTub uptake in Xenopus laevis oocytes
50040204	1	ChEMBL_836744 (CHEMBL2075166)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50040204	2	ChEMBL_837210 (CHEMBL2076754)	TP_TRANSPORTER: inhibition of Cyclosporin A transepithelial transport (basal to apical) (Cyclosporin A: 1 uM) in Caco-2 cells
50040205	1	ChEMBL_837279 (CHEMBL2075368)	TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cells
50040206	1	ChEMBL_839289 (CHEMBL2077960)	TP_TRANSPORTER: inhibition of BQ-123 uptake in bile canalicular membrane vesicles from SD rat
50040206	2	ChEMBL_836182 (CHEMBL2075081)	TP_TRANSPORTER: inhibition of BQ-485 uptake in bile canalicular membrane vesicles from SD rat
50040207	1	ChEMBL_838262 (CHEMBL2076210)	TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes
50040207	2	ChEMBL_838272 (CHEMBL2076220)	TP_TRANSPORTER: inhibition of lactate uptake in Xenopus laevis oocytes
50040208	1	ChEMBL_838282 (CHEMBL2076230)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells
50040208	2	ChEMBL_838281 (CHEMBL2076229)	TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells
50040208	3	ChEMBL_837273 (CHEMBL2075362)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50040209	1	ChEMBL_836829 (CHEMBL2075354)	TP_TRANSPORTER: inhibition of Taurocholate accumulation in ASBT-expressing HEK293 cells
50040209	2	ChEMBL_836853 (CHEMBL2075491)	TP_TRANSPORTER: inhibition of Taurocholate accumulation in ASBT-expressing HEK293 cells
50040210	1	ChEMBL_836140 (CHEMBL2077576)	TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells
50040211	1	ChEMBL_835925 (CHEMBL2077063)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50040212	1	ChEMBL_835958 (CHEMBL2077096)	TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cells
50040212	2	ChEMBL_835936 (CHEMBL2077074)	TP_TRANSPORTER: inhibition of PGF2alpha in OAT2-S2 cells
50040213	1	ChEMBL_835954 (CHEMBL2077092)	TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT3-expressing S2 cells
50040213	2	ChEMBL_839165 (CHEMBL2077836)	TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in hOAT1-expressing S2 cells
50040213	3	ChEMBL_836651 (CHEMBL2077493)	TP_TRANSPORTER: inhibition of PGF2alpha uptake (PGF2: 50nM) in hOAT2-expressing S2 cells
50040213	4	ChEMBL_836967 (CHEMBL2075807)	TP_TRANSPORTER: inhibition of PGF2alpha uptake (PGF2: 50nM) in rOAT2-expressing S2 cells
50040213	5	ChEMBL_835944 (CHEMBL2077082)	TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in rOAT3-expressing S2 cells
50040213	6	ChEMBL_836112 (CHEMBL2077548)	TP_TRANSPORTER: inhibition of ES uptake (ES: 50nM) in hOAT4-expressing S2 cells
50040213	7	ChEMBL_837478 (CHEMBL2075966)	TP_TRANSPORTER: inhibition of PHA uptake (PHA: 5uM) in rOAT1-expressing S2 cells
50040214	1	ChEMBL_837031 (CHEMBL2076116)	TP_TRANSPORTER: inhibition of cyclosporin A uptake (cyclosporin A: 10 uM) in MDR1-expressing LLC-PK1 cells
50040215	1	ChEMBL_837084 (CHEMBL2076336)	TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing LLC-PK1 cells
50040216	1	ChEMBL_837096 (CHEMBL2076348)	TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytes
50040216	2	ChEMBL_836785 (CHEMBL2075310)	TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytes
50040216	3	ChEMBL_836587 (CHEMBL2077328)	TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytes
50040216	4	ChEMBL_836646 (CHEMBL2077488)	TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytes
50040217	1	ChEMBL_835961 (CHEMBL2077099)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells
50040217	2	ChEMBL_835966 (CHEMBL2077104)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells
50040218	1	ChEMBL_837475 (CHEMBL2075963)	TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in canalicular membrane vesicles from SD rat
50040218	2	ChEMBL_837473 (CHEMBL2075961)	TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in membrane vesicles isolated from Bsep-expressing Sf9 cells
50040219	1	ChEMBL_836116 (CHEMBL2077552)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells
50040219	2	ChEMBL_836618 (CHEMBL2077359)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells
50040219	3	ChEMBL_839340 (CHEMBL2078011)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells
50040220	1	ChEMBL_836147 (CHEMBL2077583)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells
50040220	2	ChEMBL_837975 (CHEMBL2075144)	TP_TRANSPORTER: inhibition of Gly-Sar uptake, D-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells
50040220	3	ChEMBL_837974 (CHEMBL2075143)	TP_TRANSPORTER: inhibition of Gly-Sar uptake, L-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells
50040221	1	ChEMBL_836158 (CHEMBL2075057)	TP_TRANSPORTER: inhibition of Temocaprilat uptake in bile canalicular membrane vesicles from SD rat
50040221	2	ChEMBL_836176 (CHEMBL2075075)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50040222	1	ChEMBL_838747 (CHEMBL2078573)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cells
50040223	1	ChEMBL_836450 (CHEMBL2076890)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50040223	2	ChEMBL_836184 (CHEMBL2075083)	TP_TRANSPORTER: inhibition of 5-methyltetrahydrofolate uptake in bile canalicular membrane vesicles from SD rat
50040224	1	ChEMBL_836816 (CHEMBL2075341)	TP_TRANSPORTER: inhibition of E1S uptake in OAT3 expressing oocytes
50040224	2	ChEMBL_837507 (CHEMBL2075995)	TP_TRANSPORTER: inhibition of TEA uptake in OCT2 expressing oocytes
50040225	1	ChEMBL_836949 (CHEMBL2075789)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50040226	1	ChEMBL_836021 (CHEMBL2077253)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 10 uM) in PEPT2-expressing SK-N-SH cells
50001273	1	ChEMBL_1714011 (CHEMBL4124060)	Inhibition of FITC-GPMQSpTPLNG-OH binding to Plk1 PBD (unknown origin) after 30 mins by fluorescence polarization assay
50001273	2	ChEMBL_1714012 (CHEMBL4124061)	Inhibition of FITC-GPMQTSpTPKNG-OH binding to Plk2 PBD (unknown origin) after 30 mins by fluorescence polarization assay
50040227	2	ChEMBL_840427 (CHEMBL2089604)	Antagonist activity at CCR2 in human monocytes by chemotaxis assay in presence of 0.5% bovine serum albumin
50040228	1	ChEMBL_840432 (CHEMBL2089708)	Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay
50040229	1	ChEMBL_840441 (CHEMBL2089717)	Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay
50040230	1	ChEMBL_840475 (CHEMBL2089751)	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate assessed as p-nitrophenol release after 30 mins
50040231	1	ChEMBL_841618 (CHEMBL2092044)	Displacement of [3H]GR113808 from human recombinant 5HT4c receptor expressed in HEK293 cells
50040232	1	ChEMBL_840620 (CHEMBL2090271)	Inhibition of human recombinant KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis
50040232	2	ChEMBL_840619 (CHEMBL2090270)	Inhibition of human recombinant KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by FRET analysis
50040232	3	ChEMBL_840622 (CHEMBL2090273)	Competitive inhibition of recombinant human KLK7 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis
50040232	4	ChEMBL_840623 (CHEMBL2090274)	Competitive inhibition of human KLK5 expressed in insect cell/baculovirus using Abz-KLYSSKQ-EDDnp as substrate by Dixon plot analysis
50040233	1	ChEMBL_840626 (CHEMBL2090277)	Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis
50040233	2	ChEMBL_840627 (CHEMBL2090278)	Inhibition of EGFR-mediated intracellular tyrosine phosphorylation in EGF-stimulated human A431 cells after 2.5 hrs by SDS-PAGE analysis
50040234	1	ChEMBL_840645 (CHEMBL2090296)	Inhibition of human recombinant TCPTP assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry
50040234	2	ChEMBL_840644 (CHEMBL2090295)	Inhibition of human recombinant PTP1B assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry
50040235	1	ChEMBL_840648 (CHEMBL2090299)	Binding affinity to human thrombin
50040236	1	ChEMBL_840240 (CHEMBL2091105)	Inhibition of human recombinant COX2 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immunoassay
50040236	2	ChEMBL_840239 (CHEMBL2091104)	Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 by enzyme immuno assay
50040237	1	ChEMBL_840264 (CHEMBL2091129)	Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF2 as a substrate by radioisotopic protein kinase assay
50040237	2	ChEMBL_840265 (CHEMBL2091130)	Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using casein as a substrate by radioisotopic protein kinase assay
50040238	1	ChEMBL_840271 (CHEMBL2091179)	Inhibition of recombinant human 15-lipoxygenase by MBTH-DMAB method
50040239	1	ChEMBL_840281 (CHEMBL2091189)	Inhibition of human prune assessed as reduction of cAMP-phosphodiesterase activity
50040239	2	ChEMBL_840282 (CHEMBL2091190)	Inhibition of purified human prune assessed as reduction of cAMP-phosphodiesterase activity by SPA
50040240	1	ChEMBL_840812 (CHEMBL2090595)	Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate
50001273	3	ChEMBL_1714013 (CHEMBL4124062)	Inhibition of FITC-GPLATSpTPKNG-OH binding to Plk3 PBD (unknown origin) after 30 mins by fluorescence polarization assay
50040240	2	ChEMBL_840813 (CHEMBL2090596)	Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate
50040240	3	ChEMBL_840814 (CHEMBL2090597)	Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay
50040240	4	ChEMBL_840815 (CHEMBL2090598)	Inhibition of PI3K p110gamma by fluorescence based immunoassay
50040241	1	ChEMBL_839487 (CHEMBL2090207)	Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method
50040241	2	ChEMBL_839486 (CHEMBL2090206)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method
50040241	3	ChEMBL_839504 (CHEMBL2090224)	Inhibition of equine BChE
50040242	1	ChEMBL_839470 (CHEMBL2090190)	Inhibition of CDK1/cyclin B by radiometric assay
50040242	2	ChEMBL_839473 (CHEMBL2090193)	Inhibition of CDK7/cyclin-H by radiometric assay
50040242	3	ChEMBL_839474 (CHEMBL2090194)	Inhibition of CDK9/cyclin-T1 by radiometric assay
50001280	1	ChEMBL_1714074 (CHEMBL4124123)	Inhibition of recombinant human N-terminal His6-tagged TRAP1 (60 to 704 residues) ATPase activity expressed in Escherichia coli BL21-CodonPlus-RIL after overnight incubation by BioMol green dye-based assay
50001280	2	ChEMBL_1714076 (CHEMBL4124125)	Inhibition of FITC-geldanamycin binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 704 residues) expressed in Escherichia coli BL21-CodonPlus-RIL by fluorescence anisotropy method
50001280	3	ChEMBL_1714080 (CHEMBL4124129)	Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli by fluorescence anisotropy method
50001281	1	ChEMBL_1714093 (CHEMBL4124142)	Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr followed by MCP1 stimulation for 3 mins by FACS analysis
50001281	2	ChEMBL_1714106 (CHEMBL4124155)	Inhibition of human ERG
50001281	3	ChEMBL_1714099 (CHEMBL4124148)	Inhibition of PI3Kgamma in TNFalpha primed human whole blood assessed as inhibition of fMLP-induced ROS generation preincubated for 30 to 60 mins followed by TNFalpha priming for 15 mins and subsequent stimulation with fMLP for 15 mins by DHR-123 dye based FACS analysis
50001281	4	ChEMBL_1714097 (CHEMBL4124146)	Inhibition of PI3Kgamma in rat spleenocytes assessed as inhibition of MCP1-induced Akt phosphorylation at Ser-47 residue preincubated for 1 hr followed by MCP1 stimulation for 3 mins by FACS analysis
50001281	5	ChEMBL_1714098 (CHEMBL4124147)	Inhibition of PI3Kgamma in TNFalpha primed human neutrophils assessed as inhibition of fMLP-induced ROS generation preincubated for 30 to 60 mins followed by TNFalpha priming for 15 mins and subsequent stimulation with fMLP for 15 mins by DHR-123 dye based FACS analysis
50001281	6	ChEMBL_1714100 (CHEMBL4124149)	Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKKK as substrate after 15 mins in presence of [33P-ATP] by radiometric method
50001281	7	ChEMBL_1714083 (CHEMBL4124132)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method
50001282	1	ChEMBL_1714128 (CHEMBL4124177)	Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in baculovirus expression system assessed as reduction in polypeptide substrate phosphorylation in presence of ATP by ELISA
50001282	2	ChEMBL_1714134 (CHEMBL4124183)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of 10 uM [gamma33P]ATP by radiometric method
50001282	3	ChEMBL_1714136 (CHEMBL4124185)	Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method
50001282	4	ChEMBL_1714138 (CHEMBL4124187)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of 10 uM [gamma33P]ATP by radiometric method
50001282	5	ChEMBL_1714144 (CHEMBL4124193)	Inhibition of kinase tracer-04 binding to C-terminal NanoLuc tagged full length JAK1 (unknown origin) expressed in HEK cells by NanoBRET assay
50001282	6	ChEMBL_1714146 (CHEMBL4124195)	Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK3 (unknown origin) expressed in HEK cells by NanoBRET assay
50001282	7	ChEMBL_1714145 (CHEMBL4124194)	Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length JAK2 (unknown origin) expressed in HEK cells by NanoBRET assay
50001282	8	ChEMBL_1714147 (CHEMBL4124196)	Inhibition of kinase tracer-05 binding to C-terminal NanoLuc tagged full length BTK (unknown origin) expressed in HEK cells by NanoBRET assay
50001282	9	ChEMBL_1714132 (CHEMBL4124181)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate in presence of 10 uM [gamma33P]ATP by radiometric method
50001282	10	ChEMBL_1714135 (CHEMBL4124184)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of 200 uM [gamma33P]ATP by radiometric method
50001282	11	ChEMBL_1714137 (CHEMBL4124186)	Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 200 uM [gamma33P]ATP by radiometric method
50001282	12	ChEMBL_1714133 (CHEMBL4124182)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate in presence of 200 uM [gamma33P]ATP by radiometric method
50001282	13	ChEMBL_1714139 (CHEMBL4124188)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate in presence of 200 uM [gamma33P]ATP by radiometric method
50001274	1	ChEMBL_1714172 (CHEMBL4124221)	Inhibition of recombinant human 6His-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50001274	2	ChEMBL_1714173 (CHEMBL4124222)	Inhibition of recombinant human 6His-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50001274	3	ChEMBL_1714174 (CHEMBL4124223)	Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50001274	4	ChEMBL_1714175 (CHEMBL4124224)	Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 15 mins followed by C5a stimulation measured after 3 mins by TR-FRET assay
50001274	5	ChEMBL_1714170 (CHEMBL4124219)	Inhibition of PI3Kalpha in human BT474 cells assessed as reduction in Akt phosphorylation at Tyr308 residue after 2 hrs by fluorescence assay
50001274	6	ChEMBL_1714168 (CHEMBL4124217)	Inhibition of PI3Kdelta in human JeKo1B cells assessed as reduction in AKT phosphorylation at ser473 residue preincubated for 60 mins followed by anti-IgM stimulation measured after 10 mins by TR-FRET assay
50001274	7	ChEMBL_1714171 (CHEMBL4124220)	Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50001274	8	ChEMBL_1714204 (CHEMBL4124253)	Inhibition of PI3KC2alpha (unknown origin)
50001274	9	ChEMBL_1714212 (CHEMBL4124261)	Binding affinity to human P2Y1 receptor
50028858	2	ChEBML_204583	Compound was tested for inhibitory activity against human prostatic Steroid 5-alpha-reductase
50001274	10	ChEMBL_1714169 (CHEMBL4124218)	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in Akt phosphorylation at Tyr308 residue after 2 hrs
50001274	11	ChEMBL_1714188 (CHEMBL4124237)	Inhibition of human ERG
50001274	12	ChEMBL_1714184 (CHEMBL4124233)	Inhibition of recombinant human full length GST-tagged DRAK1 expressed in baculovirus expression system
50001274	13	ChEMBL_1714185 (CHEMBL4124234)	Inhibition of recombinant human full length GST-tagged CLK4 expressed in baculovirus expression system
50001274	14	ChEMBL_1714205 (CHEMBL4124254)	Inhibition of PI3KC2beta (unknown origin)
50001274	15	ChEMBL_1714206 (CHEMBL4124255)	Inhibition of PI3KC2gamma (unknown origin)
50001274	16	ChEMBL_1714207 (CHEMBL4124256)	Inhibition of PI3KC3 (unknown origin)
50001283	1	ChEMBL_1714219 (CHEMBL4124268)	Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions
50001283	2	ChEMBL_1714215 (CHEMBL4124264)	Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting
50001283	3	ChEMBL_1714216 (CHEMBL4124265)	Displacement of [125I]-Deltorphin 2 from mouse Flag-tagged delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting
50001283	4	ChEMBL_1714220 (CHEMBL4124269)	Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-induced cAMP level after 10 mins by fluorescence based assay
50001283	5	ChEMBL_1714221 (CHEMBL4124270)	Agonist activity at rat delta-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-induced cAMP level after 10 mins by fluorescence based assay
50001283	6	ChEMBL_1714218 (CHEMBL4124267)	Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions
50001284	1	ChEMBL_1714298 (CHEMBL4124347)	Inhibition of pig CK1delta
50001284	2	ChEMBL_1714293 (CHEMBL4124342)	Inhibition of human haspin using full-length histone H3 as substrate after 10 mins
50001284	3	ChEMBL_1714296 (CHEMBL4124345)	Inhibition of pig GSK3alpha using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 60 mins by LANCE assay
50001284	4	ChEMBL_1714299 (CHEMBL4124348)	Inhibition of pig CK1epsilon using Ulight-ARTKQTARKSTGGKAPRKQLAGCG as substrate after 60 mins by LANCE assay
50001284	5	ChEMBL_1714300 (CHEMBL4124349)	Inhibition of human Aurora-B using full-length histone H3 as substrate after 10 mins
50001284	6	ChEMBL_1714292 (CHEMBL4124341)	Inhibition of recombinant human PIM1 using CREBtide as substrate after 60 mins by LANCE assay
50001284	7	ChEMBL_1714294 (CHEMBL4124343)	Inhibition of mouse CLK1 using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay
50001284	8	ChEMBL_1714295 (CHEMBL4124344)	Inhibition of rat Dyrk1a using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay
50001284	9	ChEMBL_1714297 (CHEMBL4124346)	Inhibition of pig GSK3beta using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by LANCE assay
50001284	10	ChEMBL_1714289 (CHEMBL4124338)	Inhibition of recombinant human CDK2/Cyclin A using ATP and Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay
50001284	11	ChEMBL_1714290 (CHEMBL4124339)	Inhibition of human CDK5/p25
50001284	12	ChEMBL_1714291 (CHEMBL4124340)	Inhibition of recombinant human CDK9/CyclinT using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by LANCE assay
50001284	13	ChEMBL_1714277 (CHEMBL4124326)	Inhibition of human PKCalpha
50001284	14	ChEMBL_1714278 (CHEMBL4124327)	Inhibition of human PKCbeta
50040244	1	ChEMBL_847925 (CHEMBL2150124)	Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 6.5 after 60 mins by HPLC analysis
50040244	2	ChEMBL_847931 (CHEMBL2150231)	Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis
50040244	3	ChEMBL_847930 (CHEMBL2150230)	Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis
50040244	4	ChEMBL_847932 (CHEMBL2150232)	Inhibition of mouse TDO in P815 clone 12 cells by HPLC analysis
50040244	5	ChEMBL_847933 (CHEMBL2150233)	Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis
50040244	6	ChEMBL_847926 (CHEMBL2150125)	Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 7.4 after 60 mins by HPLC analysis
50040245	1	ChEMBL_847943 (CHEMBL2150243)	Inhibition of human recombinant transmembrane CA12 preincubated for 15 mins by stopped-flow CO2 hydration method
50040245	2	ChEMBL_847942 (CHEMBL2150242)	Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method
50040245	3	ChEMBL_847940 (CHEMBL2150240)	Inhibition of human recombinant cytosolic CA1 preincubated for 15 mins by stopped-flow CO2 hydration method
50040245	4	ChEMBL_847941 (CHEMBL2150241)	Inhibition of human recombinant cytosolic CA2 preincubated for 15 mins by stopped-flow CO2 hydration method
50040246	2	ChEMBL_848574 (CHEMBL2148238)	Inhibition of [3H]PDBu binding to PKCbeta C1A domain
50040246	3	ChEMBL_848575 (CHEMBL2148239)	Inhibition of [3H]PDBu binding to PKCgamma C1A domain
50040246	4	ChEMBL_848576 (CHEMBL2148240)	Inhibition of [3H]PDBu binding to PKCdelta C1B domain
50040246	5	ChEMBL_848577 (CHEMBL2148241)	Inhibition of [3H]PDBu binding to PKCepsilon C1B domain
50040246	7	ChEMBL_848579 (CHEMBL2148243)	Inhibition of [3H]PDBu binding to PKCtheta C1B domain
50040247	1	ChEMBL_848925 (CHEMBL2149719)	Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates
50040247	2	ChEMBL_848930 (CHEMBL2149724)	Agonist activity at human dopamine D3 receptor expressed in CHO cells by mitogenesis assay
50001285	1	ChEMBL_1714310 (CHEMBL4124359)	Displacement of [3H]LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50001285	2	ChEMBL_1714311 (CHEMBL4124360)	Displacement of [3H]LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr
50001286	1	ChEMBL_1714321 (CHEMBL4124370)	Inhibition of recombinant human CDK2/cyclin E after 40 mins by ADP-Glo reagent based luminescence assay
50001286	2	ChEMBL_1714324 (CHEMBL4124373)	Inhibition of recombinant human CDK7/cyclin H/MNAT1 after 40 mins by ADP-Glo reagent based luminescence assay
50001286	3	ChEMBL_1714353 (CHEMBL4124402)	Inhibition of CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis
50040248	5	ChEMBL_848933 (CHEMBL2149727)	Inhibition of SARS-CoV 3CLpro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edan as substrate after 60 mins by FRET analysis
50040248	6	ChEMBL_848940 (CHEMBL2149734)	Inhibition of papaya papain using N-alpha-benzoyl-L-arginine-pnitroanilide as substrate after 5 mins
50001286	4	ChEMBL_1714323 (CHEMBL4124372)	Inhibition of recombinant human CDK6/cyclin D3 after 40 mins by ADP-Glo reagent based luminescence assay
50001286	5	ChEMBL_1714322 (CHEMBL4124371)	Inhibition of recombinant human CDK4/cyclin D1 after 40 mins by ADP-Glo reagent based luminescence assay
50040249	1	ChEMBL_849235 (CHEMBL2148716)	Binding affinity to human MCHR1 expressed in COS7 cells
50040250	1	ChEMBL_849437 (CHEMBL2149438)	Inhibition of DPP8
50040250	2	ChEMBL_849433 (CHEMBL2149434)	Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis
50040250	3	ChEMBL_849435 (CHEMBL2149436)	Inhibition of FAPalpha
50040250	4	ChEMBL_849446 (CHEMBL2149447)	Inhibition of CYP2D6
50040250	5	ChEMBL_849447 (CHEMBL2149448)	Inhibition of CYP3A4
50040250	6	ChEMBL_849448 (CHEMBL2149449)	Inhibition of CYP2C19
50040250	7	ChEMBL_849439 (CHEMBL2149440)	Inhibition of human ERG
50040250	8	ChEMBL_849442 (CHEMBL2149443)	Inhibition of CYP1A2
50040250	9	ChEMBL_849434 (CHEMBL2149435)	Inhibition of DPP9
50040250	11	ChEMBL_849432 (CHEMBL2149325)	Inhibition of human DPP2 using Lys-Ala-AMC as substrate by fluorimetric analysis
50040250	12	ChEMBL_849444 (CHEMBL2149445)	Inhibition of CYP2C8
50040250	13	ChEMBL_849445 (CHEMBL2149446)	Inhibition of CYP2C9
50040250	14	ChEMBL_849436 (CHEMBL2149437)	Inhibition of bovine DPP4 by HTS assay
50001286	6	ChEMBL_1714351 (CHEMBL4124400)	Inhibition of CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis
50001286	7	ChEMBL_1714354 (CHEMBL4124403)	Inhibition of CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis
50001286	8	ChEMBL_1714352 (CHEMBL4124401)	Inhibition of CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis
50001287	1	ChEMBL_1714355 (CHEMBL4124404)	Inhibition of Escherichia coli thymidine phosphorylase pretreated for 10 mins followed by substrate addition measured at 10 mins interval for 30 mins by spectrophotometric method
50001287	2	ChEMBL_1714356 (CHEMBL4124405)	Inhibition of human placenta thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting method
50001287	3	ChEMBL_1714357 (CHEMBL4124406)	Inhibition of thymidine phosphorylase (unknown origin)
50001288	1	ChEMBL_1714366 (CHEMBL4124415)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay
50001288	2	ChEMBL_1714367 (CHEMBL4124416)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay
50001288	3	ChEMBL_1714364 (CHEMBL4124413)	Inhibition of wild type EGFR (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay
50001288	4	ChEMBL_1714365 (CHEMBL4124414)	Inhibition of EGFR L858R mutant (unknown origin) using Poly(Glu,Tyr) as substrate after 40 mins by Kinase-Glo luminescence assay
50001288	5	ChEMBL_1714379 (CHEMBL4124428)	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50001288	6	ChEMBL_1714380 (CHEMBL4124429)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50001288	7	ChEMBL_1714377 (CHEMBL4124426)	Inhibition of wild type EGFR (unknown origin)
50001288	8	ChEMBL_1714378 (CHEMBL4124427)	Inhibition of EGFR L858R mutant (unknown origin)
50001289	1	ChEMBL_1714383 (CHEMBL4124432)	Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using RHKKAC as substrate incubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50001290	1	ChEMBL_1714395 (CHEMBL4124444)	Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1-alpha (556 to 574 residues) as substrate after 60 mins by fluorescence polarization assay
50001290	2	ChEMBL_1714398 (CHEMBL4124447)	Inhibition of HIF-PHD2 (181 to 426 residues) (unknown origin) using HIF1-alpha (556 to 574 residues) as substrate in presence of 2-OG preincubated for 30 mins followed by OPD addition measured after 10 mins by fluorescence assay
50040251	4	ChEMBL_849479 (CHEMBL2149480)	Inhibition of rat Nav1.7 by whole cell voltage-clamp electrophysiology assay
50040252	1	ChEMBL_849664 (CHEMBL2150218)	Competitive inhibition of pig GABA aminotransferase using alpha-ketoglutarate as substrate by SSADH-coupled assay
50040252	2	ChEMBL_849805 (CHEMBL2148328)	Inhibition of rat GABA aminotransferase by modified Scott and Jacoby method
50040253	1	ChEMBL_849806 (CHEMBL2148329)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50040253	2	ChEMBL_849807 (CHEMBL2148330)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50040253	3	ChEMBL_849809 (CHEMBL2148332)	Inhibition of human recombinant AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50040254	1	ChEMBL_849826 (CHEMBL2148453)	Inhibition of bovine thrombin using Bz-Phe-Val-Arg-pNA as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorimetric analysis
50040254	2	ChEMBL_849827 (CHEMBL2148454)	Inhibition of thrombin
50040254	3	ChEMBL_849829 (CHEMBL2148456)	Inhibition of plasmin
50040254	4	ChEMBL_849825 (CHEMBL2148452)	Inhibition of cathepsin B using Z-Phe-Arg-MCA as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by fluorimetric analysis
50040255	1	ChEMBL_849831 (CHEMBL2148458)	Displacement of [125I]-MCH from human MCHR1 receptor expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay
50040255	2	ChEMBL_849832 (CHEMBL2148459)	Antagonist activity at rat MCH1 receptor expressed in HEK 293T cells assessed as inhibition of MCH-induced Ca2+ mobilization after 10 mins by FLIPR assay
50040256	1	ChEMBL_849854 (CHEMBL2148481)	Inhibition of IL-5 in mouse Y16 cells after 48 hrs by WST1 assay
50040257	1	ChEMBL_850194 (CHEMBL2149800)	Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay
50040257	2	ChEMBL_850195 (CHEMBL2149801)	Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay
50040258	1	ChEMBL_850393 (CHEMBL2150813)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum
50040258	2	ChEMBL_850391 (CHEMBL2150811)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum
50040258	3	ChEMBL_850392 (CHEMBL2150812)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum
50040259	1	ChEMBL_850397 (CHEMBL2150817)	Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis
50040259	2	ChEMBL_850398 (CHEMBL2150818)	Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis
50040260	1	ChEMBL_850408 (CHEMBL2150828)	Inhibition of EGFR phosphorylation in human PC9 cells after 24 hrs by by Western blot analysis
50040261	1	ChEMBL_850422 (CHEMBL2150609)	Inhibition of human N-terminal DYKDDDD tagged EGFR cytoplasmic domain amino acid 669 to 1210 expressed in baculovirus after 5 mins by scintillation counter
50040261	2	ChEMBL_850421 (CHEMBL2150608)	Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation counter
50040261	3	ChEMBL_847958 (CHEMBL2150258)	Inhibition of PDGFRalpha after 5 mins
50040261	4	ChEMBL_850436 (CHEMBL2150623)	Inhibition of LCK after 5 mins
50040261	6	ChEMBL_847959 (CHEMBL2150259)	Inhibition of PDGFRbeta after 5 mins
50040261	7	ChEMBL_850420 (CHEMBL2150607)	Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain expressed in baculovirus after 5 mins
50040261	8	ChEMBL_850433 (CHEMBL2150620)	Inhibition of HER4 cytoplasmic domain after 5 mins by scintillation counter
50040261	10	ChEMBL_847954 (CHEMBL2150254)	Inhibition of LYN A after 5 mins
50040261	11	ChEMBL_847955 (CHEMBL2150255)	Inhibition of c-Met after 5 mins
50040261	12	ChEMBL_847956 (CHEMBL2150256)	Inhibition of CSK after 5 mins
50040261	13	ChEMBL_850435 (CHEMBL2150622)	Inhibition of N-terminal GST-tagged MEK1 after 5 mins by scintillation counter
50040261	14	ChEMBL_847957 (CHEMBL2150257)	Inhibition of VEGFR1 after 5 mins
50040261	15	ChEMBL_847968 (CHEMBL2150268)	Inhibition of N-terminal FLAG-tagged TAK1 expressed in baculovirus after 5 mins by scintillation counter
50040261	16	ChEMBL_847978 (CHEMBL2150414)	Inhibition of N-terminal FLAG-tagged B-raf expressed in baculovirus after 5 mins by scintillation counter
50040261	17	ChEMBL_847982 (CHEMBL2150418)	Inhibition of ZAP70 after 5 mins
50040261	18	ChEMBL_847983 (CHEMBL2150419)	Inhibition of full length N-terminal FLAG-tagged BMX expressed in baculovirus after 5 mins
50040261	19	ChEMBL_847970 (CHEMBL2150270)	Inhibition of N-terminal FLAG-tagged JNK1 expressed in baculovirus after 5 mins by scintillation counter
50040261	20	ChEMBL_847975 (CHEMBL2150411)	Inhibition of N-terminal FLAG-tagged PKCtheta expressed in baculovirus after 5 mins by scintillation counter
50040261	21	ChEMBL_847966 (CHEMBL2150266)	Inhibition of N-terminal FLAG-tagged MEK5 expressed in baculovirus after 5 mins by scintillation counter
50040261	22	ChEMBL_847976 (CHEMBL2150412)	Inhibition of N-terminal FLAG-tagged PLK1 expressed in baculovirus after 5 mins by scintillation counter
50040261	23	ChEMBL_847977 (CHEMBL2150413)	Inhibition of N-terminal FLAG-tagged GSK3beta expressed in baculovirus after 5 mins by scintillation counter
50040261	24	ChEMBL_847979 (CHEMBL2150415)	Inhibition of FGFR1 after 5 min
50040261	25	ChEMBL_847980 (CHEMBL2150416)	Inhibition of FGFR3 after 5 mins
50040261	26	ChEMBL_847981 (CHEMBL2150417)	Inhibition of Src after 5 mins
50040261	27	ChEMBL_847967 (CHEMBL2150267)	Inhibition of C-terminal FLAG-tagged MEKK expressed in baculovirus after 5 mins by scintillation counter
50040261	28	ChEMBL_847969 (CHEMBL2150269)	Inhibition of N-terminal FLAG-tagged TTK expressed in baculovirus after 5 mins by scintillation counter
50040261	29	ChEMBL_847963 (CHEMBL2150263)	Inhibition of IGF-1R after 5 mins
50040261	30	ChEMBL_847971 (CHEMBL2150271)	Inhibition of C-terminal FLAG-tagged IKKbeta expressed in baculovirus after 5 mins by scintillation counter
50040261	31	ChEMBL_847972 (CHEMBL2150408)	Inhibition of N-terminal FLAG-tagged ERK1 expressed in baculovirus after 5 mins by scintillation counter
50040261	32	ChEMBL_847964 (CHEMBL2150264)	Inhibition of full length N-terminal FLAG-tagged FAK expressed in baculovirus after 5 mins
50040261	33	ChEMBL_847965 (CHEMBL2150265)	Inhibition of N-terminal FLAG-tagged ASK1 expressed in baculovirus after 5 mins by scintillation counter
50040261	34	ChEMBL_847973 (CHEMBL2150409)	Inhibition of N-terminal FLAG-tagged p38alpha expressed in baculovirus after 5 mins by scintillation counter
50040261	35	ChEMBL_847960 (CHEMBL2150260)	Inhibition of INSR after 5 mins
50040261	36	ChEMBL_847961 (CHEMBL2150261)	Inhibition of TIE2 after 5 mins
50040261	37	ChEMBL_847962 (CHEMBL2150262)	Inhibition of c-kit after 5 mins
50040262	1	ChEMBL_847992 (CHEMBL2150428)	Inhibition of recombinant c-Met kinase domain using poly(Glu,Tyr) as substrate after 60 mins by ELISA
50040262	2	ChEMBL_847991 (CHEMBL2150427)	Inhibition of c-Met
50040263	1	ChEMBL_847998 (CHEMBL2150434)	Inhibition of TLR4 in LPS-stimulated mouse RAW264.7 cells assessed as reduction of NO production after 24 hrs
50040263	2	ChEMBL_848000 (CHEMBL2150436)	Inhibition of TLR4 in LPS-stimulated mouse RAW264.7 cells assessed as reduction of IL1-beta production after 24 hrs by ELISA
50040263	3	ChEMBL_847996 (CHEMBL2150432)	Inhibition of TLR4 in LPS-stimulated mouse RAW264.7 cells assessed as reduction of TNFalpha production after 24 hrs by ELISA
50040264	2	ChEMBL_848015 (CHEMBL2150566)	Antagonist activity at human adrenergic alpha1B receptor expressed in rat fibroblasts by by plate-based calcium imaging
50040264	3	ChEMBL_848013 (CHEMBL2150564)	Displacement of [3H]dofetilide from human ERG
50040264	4	ChEMBL_848012 (CHEMBL2150563)	Antagonist activity at human adrenergic alpha1A receptor expressed in rat fibroblasts by by plate-based calcium imaging
50040264	5	ChEMBL_848011 (CHEMBL2150562)	Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation proximity assay
50040264	6	ChEMBL_848010 (CHEMBL2150561)	Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay
50040265	1	ChEMBL_848110 (CHEMBL2148511)	Inhibition of MKP2
50040265	2	ChEMBL_848109 (CHEMBL2148510)	Inhibition of His-tagged PTPsigma catalytic domain amino acid 1369 to 1948 using DiFMUP as substrate after 20 mins by spectrofluorometric analysis
50040265	3	ChEMBL_848111 (CHEMBL2148512)	Inhibition of PRL1
50040265	4	ChEMBL_848112 (CHEMBL2148513)	Inhibition of PRL3
50040266	1	ChEMBL_848138 (CHEMBL2148657)	Inhibition of CYP26A1-mediated retinoic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counting
50040268	1	ChEMBL_848403 (CHEMBL2149858)	Inhibition of pre-activated human GST-His6-tagged IGF-1R expressed in Sf9 cells using Ac-EAEDEPEGDYFEWLE-NHMe as substrate after 25 mins by luminescence assay
50040269	1	ChEMBL_849491 (CHEMBL2149598)	Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR assay
50040269	2	ChEMBL_849495 (CHEMBL2149602)	Binding affinity to dopamine D2 receptor
50040269	3	ChEMBL_849497 (CHEMBL2149604)	Binding affinity to human ERG
50040269	4	ChEMBL_849494 (CHEMBL2149601)	Binding affinity to 5HT2A receptor
50040269	5	ChEMBL_849493 (CHEMBL2149600)	Activity at 5HT1A receptor
50040269	6	ChEMBL_849496 (CHEMBL2149603)	Binding affinity to dopamine D3 receptor
50040269	7	ChEMBL_849489 (CHEMBL2149596)	Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR assay
50040269	8	ChEMBL_849490 (CHEMBL2149597)	Agonist activity at human muscarinic M4 receptor expressed in CHO cells coexpressing Galpha16 subunit assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR assay
50040269	9	ChEMBL_849486 (CHEMBL2149593)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR assay
50040269	10	ChEMBL_849488 (CHEMBL2149595)	Agonist activity at human muscarinic M2 receptor expressed in CHO cells coexpressing Galpha16 subunit assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR assay
50040270	1	ChEMBL_849518 (CHEMBL2149625)	Inhibition of CYP3A4
50040270	2	ChEMBL_849519 (CHEMBL2149626)	Inhibition of CYP2D6
50040270	3	ChEMBL_849520 (CHEMBL2149627)	Inhibition of CYP2C9
50040270	4	ChEMBL_849525 (CHEMBL2149632)	Inhibition of human GlyT1a after 15 mins
50040271	1	ChEMBL_849681 (CHEMBL2150356)	Inhibition of human ERG by patch clamp assay
50040271	2	ChEMBL_849684 (CHEMBL2150359)	Inhibition of human CYP3A4
50040271	3	ChEMBL_849685 (CHEMBL2150360)	Inhibition of human CYP2C9
50040271	4	ChEMBL_849686 (CHEMBL2150361)	Inhibition of human CYP2C19
50040271	5	ChEMBL_849687 (CHEMBL2150362)	Inhibition of human CYP2D6
50040271	6	ChEMBL_849688 (CHEMBL2150363)	Inhibition of human CYP1A2
50040271	7	ChEMBL_849701 (CHEMBL2150376)	Inhibition of COX1
50040271	8	ChEMBL_849702 (CHEMBL2150377)	Inhibition of COX2
50040272	1	ChEMBL_849882 (CHEMBL2148626)	Displacement of [35S]MK499 from human ERG
50040272	2	ChEMBL_849886 (CHEMBL2148630)	Inhibition of ROMK by electrophysiology assay
50040272	3	ChEMBL_849883 (CHEMBL2148627)	Inhibition of Kir2.1 expressed in HEK293 cells assessed as inhibition of thallium efflux by fluorescence assay
50040272	4	ChEMBL_849884 (CHEMBL2148628)	Inhibition of human Kir2.3 expressed in CHO cells assessed as inhibition of 86Rb+ efflux
50040272	5	ChEMBL_849893 (CHEMBL2148637)	Inhibition of rat ROMK channel expressed in HEk293 cells assessed as inhibition of thallium efflux by fluorescence assay
50040272	6	ChEMBL_849895 (CHEMBL2148639)	Inhibition of ROMK
50040272	7	ChEMBL_849881 (CHEMBL2148625)	Inhibition of human ROMK1 channel expressed in CHO cells coexpressing DHFR assessed as inhibition of 86Rb+ efflux after 35 mins by TopCount method
50040273	1	ChEMBL_850079 (CHEMBL2149502)	Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cRAF-MEK-ERK enzyme coupled assay
50040274	1	ChEMBL_850085 (CHEMBL2149508)	Partial agonist activity at RXRalpha expressed in human Cos1 cells after 18 hrs by SEAP reporter gene assay
50040275	1	ChEMBL_850284 (CHEMBL2150704)	Agonist activity at human recombinant GPR109a transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay
50040275	2	ChEMBL_850283 (CHEMBL2150703)	Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay
50040275	3	ChEMBL_850286 (CHEMBL2150706)	Agonist activity at monkey GPR81
50040275	4	ChEMBL_850287 (CHEMBL2150707)	Agonist activity at dog GPR81
50040275	5	ChEMBL_850288 (CHEMBL2150708)	Agonist activity at rat GPR81
50040275	6	ChEMBL_850289 (CHEMBL2150709)	Agonist activity at mouse GPR81
50040276	1	ChEMBL_850453 (CHEMBL2150640)	Inhibition of recombinant human ERG channel IKr expressed in CHO cells by patch clamp assay
50040277	1	ChEMBL_850469 (CHEMBL2150656)	Inhibition of fatty acid synthase
50040278	1	ChEMBL_850470 (CHEMBL2150657)	Inhibition of CYP17 transfected in human HEK2 cells using [3H]pregnenolone as substrate by SPA assay
50040279	1	ChEMBL_850487 (CHEMBL2150674)	Inhibition of bovine RNase A interaction to ribonuclease inhibitor protein after 30 mins by competition assay
50040280	1	ChEMBL_850493 (CHEMBL2150680)	Inhibition of rat GluN1/2A expressed in xenopus laevis oocytes assessed as inhibition of glycine-evoked current at membrane potential of -60 mV by voltage-clamp electrophysiology
50040280	2	ChEMBL_850494 (CHEMBL2150681)	Inhibition of rat GluA1 expressed in xenopus laevis oocytes assessed as inhibition of glutamate-evoked current at membrane potential of -60 mV by voltage-clamp electrophysiology
50040281	1	ChEMBL_848285 (CHEMBL2149374)	Inhibition of human recombinant LMW-PTP2 expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hr
50040281	2	ChEMBL_848283 (CHEMBL2149372)	Inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hr
50040281	3	ChEMBL_848287 (CHEMBL2149376)	Inhibition of human recombinant LAR expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hr
50040281	4	ChEMBL_848284 (CHEMBL2149373)	Inhibition of human recombinant LMW-PTP1 expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate after 1 hr
50040281	5	ChEMBL_848289 (CHEMBL2149378)	Non-competitive inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate
50040281	6	ChEMBL_848288 (CHEMBL2149377)	Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate
50001291	1	ChEMBL_1714465 (CHEMBL4124514)	Agonist activity at KOR (unknown origin) expressed in HEK cells assessed as reduction in cAMP accumulation by split luciferase assay
50040283	1	ChEMBL_849364 (CHEMBL2149156)	Inhibition of 5-lipoxygenase in human neutrophils assessed as inhibition of LTB4 production
50040283	2	ChEMBL_849365 (CHEMBL2149157)	Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as inhibition of PGE2 formation incubated for 15 mins before addition of PGH2 by RP-HPLC method
50040283	3	ChEMBL_849361 (CHEMBL2149153)	Inhibition of ram seminal vesicle COX1 assessed as PGE2 production by enzyme immunoassay
50040283	4	ChEMBL_849362 (CHEMBL2149154)	Inhibition of sheep placental COX2 assessed as PGE2 production by enzyme immunoassay
50040283	5	ChEMBL_849355 (CHEMBL2149031)	Activation of PPARgamma transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control
50040283	6	ChEMBL_849356 (CHEMBL2149032)	Activation of PPARalpha transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control
50001291	2	ChEMBL_1714464 (CHEMBL4124513)	Agonist activity at DOR (unknown origin) expressed in HEK cells assessed as reduction in cAMP accumulation by split luciferase assay
50001291	3	ChEMBL_1714463 (CHEMBL4124512)	Agonist activity at MOR (unknown origin) expressed in HEK cells assessed as reduction in cAMP accumulation by split luciferase assay
50001291	4	ChEMBL_1714462 (CHEMBL4124511)	Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEK cells
50040284	2	ChEMBL_849739 (CHEMBL2150521)	Inhibition of recombinant human PKCbeta1 assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50040284	3	ChEMBL_849740 (CHEMBL2150522)	Inhibition of recombinant human PKCdelta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50040284	4	ChEMBL_849741 (CHEMBL2150523)	Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50001291	5	ChEMBL_1714460 (CHEMBL4124509)	Displacement of [3H]DAMGO from MOR (unknown origin) expressed in HEK cells
50001291	6	ChEMBL_1714461 (CHEMBL4124510)	Displacement of [3H]DADLE from DOR (unknown origin) expressed in HEK cells
50001291	7	ChEMBL_1714469 (CHEMBL4124518)	Binding affinity to MOR (unknown origin)
50001291	8	ChEMBL_1714470 (CHEMBL4124519)	Binding affinity to DOR (unknown origin)
50001291	9	ChEMBL_1714471 (CHEMBL4124520)	Binding affinity to KOR (unknown origin)
50040284	6	ChEMBL_849743 (CHEMBL2150525)	Inhibition of recombinant human PKCtheta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity assay
50040284	7	ChEMBL_849757 (CHEMBL2150539)	Inhibition of CYP1A2
50040284	8	ChEMBL_849758 (CHEMBL2150540)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50040285	1	ChEMBL_849777 (CHEMBL2150559)	Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells
50040286	1	ChEMBL_849932 (CHEMBL2148782)	Inhibition of human BChE after 30 mins by microplate reader method
50040286	2	ChEMBL_849933 (CHEMBL2148783)	Inhibition of human BChE after 24 hrs by microplate reader method
50040287	1	ChEMBL_849985 (CHEMBL2149642)	Inhibition of PIM1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 2 hrs by electrophoretic mobility shift assay
50040287	2	ChEMBL_850148 (CHEMBL2149337)	Inhibition of PIM3 by electrophoretic mobility shift assay
50040287	3	ChEMBL_850131 (CHEMBL2149981)	Inhibition of FLT3 by electrophoretic mobility shift assay
50040287	4	ChEMBL_850130 (CHEMBL2149980)	Inhibition of PIM1 by electrophoretic mobility shift assay
50040287	5	ChEMBL_850147 (CHEMBL2149336)	Inhibition of PIM2 by electrophoretic mobility shift assay
50040287	6	ChEMBL_850164 (CHEMBL2149353)	Inhibition of human ERG
50040288	1	ChEMBL_850958 (CHEMBL2157053)	Inhibition of TRKA assessed as [gamma33P]ATP incorporation into substrate
50040288	2	ChEMBL_851044 (CHEMBL2157424)	Inhibition of KIT by high throughput binding assay
50040288	3	ChEMBL_850936 (CHEMBL2157031)	Binding affinity to TRKA by high throughput assay
50040288	4	ChEMBL_850938 (CHEMBL2157033)	Binding affinity to PI3Kalpha by high throughput assay
50040289	1	ChEMBL_851246 (CHEMBL2155758)	Inhibition of JAK1
50040289	2	ChEMBL_851247 (CHEMBL2155759)	Inhibition of JAK2
50040289	3	ChEMBL_851248 (CHEMBL2155760)	Inhibition of JAK3
50040289	4	ChEMBL_851249 (CHEMBL2155761)	Inhibition of TYK2
50040289	5	ChEMBL_851251 (CHEMBL2155763)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylation
50040289	6	ChEMBL_851244 (CHEMBL2155756)	Inhibition of human recombinant GST-tagged JAK1 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay
50040289	7	ChEMBL_851243 (CHEMBL2155755)	Inhibition of human recombinant JAK2 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay
50040289	8	ChEMBL_851242 (CHEMBL2155754)	Inhibition of human recombinant JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate by peptide mobility shift assay
50040289	9	ChEMBL_851240 (CHEMBL2155752)	Inhibition of human recombinant GST-tagged TYK2 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay
50040289	10	ChEMBL_851241 (CHEMBL2155753)	Inhibition of human JAK1 kinase domain expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50040289	11	ChEMBL_851239 (CHEMBL2155751)	Inhibition of human JAK2 kinase domain expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50040289	12	ChEMBL_851238 (CHEMBL2155750)	Inhibition of human JAK3 kinase domain expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50040289	13	ChEMBL_851245 (CHEMBL2155757)	Inhibition of human TYK2 kinase domain expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50040289	14	ChEMBL_851262 (CHEMBL2155774)	Inhibition of JAK2 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylation
50040290	1	ChEMBL_851263 (CHEMBL2155775)	Inhibition of human thrombin using Tos-Gly-Pro-Arg-AMC as substrate after 600 secs by fluorimetric method
50040290	2	ChEMBL_851264 (CHEMBL2155776)	Inhibition of human thrombin by isothermal titration calorimetry
50040291	1	ChEMBL_851268 (CHEMBL2155780)	Inhibition of human renin
50040292	1	ChEMBL_851405 (CHEMBL2156338)	Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay
50040293	1	ChEMBL_851435 (CHEMBL2156441)	Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorimetric analysis
50040293	2	ChEMBL_851437 (CHEMBL2156443)	Inhibition of human recombinant SIRT2 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorimetric analysis
50040293	3	ChEMBL_851438 (CHEMBL2156444)	Inhibition of human recombinant SIRT3 using Fluor de Lys-SIRT as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by fluorimetric analysis
50040293	4	ChEMBL_851447 (CHEMBL2156453)	Inhibition of HDAC1
50040293	5	ChEMBL_851448 (CHEMBL2156454)	Inhibition of HDAC2
50040293	6	ChEMBL_851449 (CHEMBL2156455)	Inhibition of HDAC3
50040293	7	ChEMBL_851450 (CHEMBL2156456)	Inhibition of HDAC4
50040293	8	ChEMBL_851451 (CHEMBL2156457)	Inhibition of HDAC5
50040293	9	ChEMBL_851452 (CHEMBL2156458)	Inhibition of HDAC6
50040293	10	ChEMBL_851453 (CHEMBL2156459)	Inhibition of HDAC7
50040293	11	ChEMBL_851454 (CHEMBL2156460)	Inhibition of HDAC8
50040293	12	ChEMBL_851455 (CHEMBL2156461)	Inhibition of HDAC9
50040293	13	ChEMBL_851456 (CHEMBL2156462)	Inhibition of HDAC10
50040293	14	ChEMBL_851457 (CHEMBL2156463)	Inhibition of HDAC11
50040293	15	ChEMBL_851458 (CHEMBL2156464)	Inhibition of CYP3A4
50040293	16	ChEMBL_851459 (CHEMBL2156465)	Inhibition of CYP2D6
50040294	1	ChEMBL_851462 (CHEMBL2156468)	Competitive inhibition of Francisella tularensis subsp. tularensis SCHU4 N-terminal His-tagged FabI expressed in Escherichia coli BL21(DE3) using crotonyl-CoA as substrate by Dixon plot analysis in presence of 200 uM NADH
50040295	1	ChEMBL_851588 (CHEMBL2157073)	Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells
50040295	2	ChEMBL_851587 (CHEMBL2157072)	Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells
50040295	3	ChEMBL_851589 (CHEMBL2157074)	Agonist activity at human cloned dopamine D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50040295	4	ChEMBL_851591 (CHEMBL2157076)	Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50040296	1	ChEMBL_851649 (CHEMBL2157248)	Inhibition of PI3K p110delta using PIP2 as substrate assessed as PIP3 formation by fluorescence polarization assay
50040296	2	ChEMBL_851653 (CHEMBL2157252)	Inhibition of PI3Kdelta in human whole blood assessed as upregulation of CD69
50040296	3	ChEMBL_851654 (CHEMBL2157253)	Inhibition of PI3Kdelta-mediated AKT phosphorylation in B cells in presence of human serum
50040297	1	ChEMBL_852267 (CHEMBL2155533)	Inhibition of p38alpha-dependent TNFalpha production in human whole blood
50040297	2	ChEMBL_852265 (CHEMBL2155531)	Inhibition of p38alpha by immunosorbent based kinase assay
50040298	1	ChEMBL_852706 (CHEMBL2156828)	Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis
50040298	2	ChEMBL_852643 (CHEMBL2157192)	Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis
50040298	3	ChEMBL_852644 (CHEMBL2157193)	Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by spectrophotometric analysis
50040298	4	ChEMBL_852645 (CHEMBL2157194)	Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate after 8 min by fluorimetric analysis
50040298	5	ChEMBL_852646 (CHEMBL2157195)	Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 80 mins by spectrophotometric analysis
50040298	6	ChEMBL_852647 (CHEMBL2157196)	Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 80 mins by spectrophotometric analysis
50040298	7	ChEMBL_852648 (CHEMBL2157197)	Inhibition of human cathepsin K using Z-Leu-Arg-AMC as substrate after 80 mins by fluorimetric analysis
50040298	8	ChEMBL_852649 (CHEMBL2157198)	Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate after 80 mins by spectrophotometric analysis
50040298	9	ChEMBL_852650 (CHEMBL2156365)	Inhibition of human recombinant cathepsin F using Z-Phe-Arg-AMC as substrate by fluorimetric analysis
50040298	10	ChEMBL_852521 (CHEMBL2157496)	Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate after 10 mins by spectrophotometric analysis
50040299	1	ChEMBL_852703 (CHEMBL2156825)	Inhibition of recombinant 11betaHSD2 using cortisol as substrate after 40 mins by fluorescence spectrophotometry
50040299	2	ChEMBL_852704 (CHEMBL2156826)	Inhibition of recombinant 17betaHSD1 using [3H]estrone as substrate after 20 mins by flow scintillation analysis
50040299	3	ChEMBL_852705 (CHEMBL2156827)	Inhibition of recombinant 17betaHSD3 using [3H]androstenedione as substrate after 90 mins by flow scintillation analysis
50040299	4	ChEMBL_852711 (CHEMBL2156833)	Inhibition of human ERG by IonWorks assay
50040299	5	ChEMBL_852716 (CHEMBL2156838)	Inhibition of N-terminal His6-tagged full length mouse 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by HTRF assay
50040299	6	ChEMBL_852717 (CHEMBL2156839)	Inhibition of N-terminal His6-tagged full length rat 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by HTRF assay
50040299	7	ChEMBL_850498 (CHEMBL2157619)	Inhibition of N-terminal His6-tagged full length dog 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by HTRF assay
50040299	8	ChEMBL_850500 (CHEMBL2157621)	Inhibition of 11betaHSD1 in human isolated adipocytes using [3H]cortisone as substrate after 6 hrs by flow scintillation analysis
50040299	9	ChEMBL_852659 (CHEMBL2156374)	Inhibition of N-terminal His6-tagged full length human 11betaHSD1 expressed in baculovirus infected cells using cortisone as substrate after 25 mins by HTRF assay
50040300	1	ChEMBL_850546 (CHEMBL2157768)	Antagonist activity at MDM2 (residues 25 to 109) assessed as inhibition of binding to immobilized p53 (residues 15 to 29) preincubated for 30 mins by surface plasmon resonance method
50040301	1	ChEMBL_850551 (CHEMBL2157773)	Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine
50040302	1	ChEMBL_851293 (CHEMBL2155879)	Inhibition of Leishmania donovani topoisomerase 1B-mediated relaxation of supercoiled pSK DNA after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50040303	1	ChEMBL_851317 (CHEMBL2156024)	Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic pyrophosphate by spectrophotometry analysis
50040303	2	ChEMBL_851318 (CHEMBL2156025)	Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of inorganic pyrophosphate by spectrophotometry analysis
50040303	3	ChEMBL_851326 (CHEMBL2156033)	Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic pyrophosphate by spectrophotometry analysis
50040303	4	ChEMBL_851327 (CHEMBL2156034)	Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of inorganic pyrophosphate by spectrophotometry analysis
50040304	1	ChEMBL_851467 (CHEMBL2156473)	Displacement of [125I]echistatin from integrin alpha5beta3 after 3 hrs by gamma counter
50040304	2	ChEMBL_851468 (CHEMBL2156474)	Displacement of [125I]echistatin from integrin alpha5beta5 after 3 hrs by gamma counter
50040304	3	ChEMBL_851469 (CHEMBL2156475)	Inhibition of vitronectin binding to human alphaVbeta3 integrin over expressed in A2780 cells
50040304	4	ChEMBL_851470 (CHEMBL2156476)	Inhibition of vitronectin binding to human alphaVbeta3 integrin expressed in PC3 cells
50040305	1	ChEMBL_851480 (CHEMBL2156596)	Displacement of 3[H]ligand from recombinant human CB1 receptor
50040305	2	ChEMBL_851481 (CHEMBL2156597)	Displacement of 3[H]ligand from recombinant human CB2 receptor
50040305	3	ChEMBL_851501 (CHEMBL2156617)	Inverse agonist activity against CB1 receptor expressed in human CHO cells assessed as effect on forskolin-stimulated cAMP level
50040306	1	ChEMBL_851506 (CHEMBL2156622)	Antagonist activity at human mGluR5a expressed in mouse L(tk-) cells assessed as inhibition of glutamate-induced Ca2+ influx by FLIPR assay
50040306	2	ChEMBL_851510 (CHEMBL2156749)	Displacement of [3H]ABP688 from human mGluR5a transmembrane region expressed in mouse L(tk-) cells
50040307	1	ChEMBL_851667 (CHEMBL2157266)	Positive allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay
50040307	2	ChEMBL_851668 (CHEMBL2157267)	Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay
50040307	3	ChEMBL_851675 (CHEMBL2157274)	Inhibition of CYP3A4
50040307	4	ChEMBL_851676 (CHEMBL2157275)	Inhibition of CYP2D6
50040308	1	ChEMBL_851680 (CHEMBL2155897)	Agonist activity at human KISS1R assessed as induction of intracellular calcium mobilization by fluorometric analysis
50040308	2	ChEMBL_851681 (CHEMBL2155898)	Binding affinity to human KISS1R
50040308	3	ChEMBL_851682 (CHEMBL2155899)	Binding affinity to rat KISS1R
50040309	1	ChEMBL_851709 (CHEMBL2155926)	Inhibition of rat NaV1.6-mediated current expressed in human HEK293 cells by patch clamp assay
50040310	1	ChEMBL_851712 (CHEMBL2155929)	Inhibition of electric eel AChE using acetylcholine iodide as substrate preincubated for 20 mins by Ellman's method
50040310	2	ChEMBL_851713 (CHEMBL2156055)	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins by Ellman's method
50040311	1	ChEMBL_851727 (CHEMBL2156069)	Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization
50040311	2	ChEMBL_851728 (CHEMBL2156070)	Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter
50040311	3	ChEMBL_851730 (CHEMBL2156072)	Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization
50040311	4	ChEMBL_851731 (CHEMBL2156073)	Positive allosteric modulation of mGluR1
50040311	5	ChEMBL_851732 (CHEMBL2156074)	Positive allosteric modulation of mGluR2
50040311	6	ChEMBL_851733 (CHEMBL2156075)	Positive allosteric modulation of mGluR3
50040311	7	ChEMBL_851890 (CHEMBL2156666)	Positive allosteric modulation of mGluR4
50040311	8	ChEMBL_851891 (CHEMBL2156667)	Positive allosteric modulation of mGluR6
50040311	9	ChEMBL_851892 (CHEMBL2156668)	Positive allosteric modulation of mGluR7
50040311	10	ChEMBL_851893 (CHEMBL2156669)	Positive allosteric modulation of mGluR8
50040312	1	ChEMBL_851911 (CHEMBL2156788)	Inhibition of PI3Kalpha
50040312	2	ChEMBL_851912 (CHEMBL2156789)	Inhibition of PI3Kbeta
50040312	3	ChEMBL_851913 (CHEMBL2156790)	Inhibition of PI3Kdelta
50040312	4	ChEMBL_851914 (CHEMBL2156791)	Inhibition of PI3Kgamma
50040312	5	ChEMBL_851921 (CHEMBL2156798)	Inhibition of human recombinant CYP3A4
50040312	6	ChEMBL_851922 (CHEMBL2156799)	Inhibition of mTOR
50040313	1	ChEMBL_852173 (CHEMBL2157594)	Inhibition of recombinant human nCDase expressed in Sf9 cells using fluorescently-labeled acyl-NBD-C12-ceramide as substrate after 2 hrs by fluorescence assay
50040313	2	ChEMBL_852176 (CHEMBL2157597)	Inhibition of aCDase
50040313	3	ChEMBL_852177 (CHEMBL2157598)	Inhibition of aCDase expressed in human HL60 cell extract
50040314	1	ChEMBL_852178 (CHEMBL2157599)	Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured after 30 mins
50040315	1	ChEMBL_852184 (CHEMBL2157605)	Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay
50040316	1	ChEMBL_852276 (CHEMBL2155542)	Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay
50040316	2	ChEMBL_852277 (CHEMBL2155543)	Inhibition of CETP in human plasma using [3H]cholesterol ester/HDL as substrate after 10 mins by scintillation counting
50040317	1	ChEMBL_852441 (CHEMBL2156544)	Inhibition of MDM2 binding to p53
50040317	2	ChEMBL_852440 (CHEMBL2156543)	Inhibition of GST-tagged MDM2 binding to p53 by ELISA
50040318	1	ChEMBL_852576 (CHEMBL2156687)	Inhibition of mPGES1
50040319	1	ChEMBL_854393 (CHEMBL2154764)	Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane
50040319	2	ChEMBL_854395 (CHEMBL2154766)	Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes
50040319	3	ChEMBL_854396 (CHEMBL2154767)	Agonist activity at human CB2 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay
50040319	4	ChEMBL_854397 (CHEMBL2154768)	Agonist activity at human CB1 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay
50040320	1	ChEMBL_854439 (CHEMBL2154897)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 20 mins by Ellman's method
50040320	2	ChEMBL_854441 (CHEMBL2154899)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins by Ellman's method
50040321	1	ChEMBL_854481 (CHEMBL2155040)	Inhibition of wild type human iNOS expressed in Escherichia coli BL21(DE3) using L-Arg as substrate incubated for 1 hr prior to L-Arg addition
50040321	2	ChEMBL_854482 (CHEMBL2155041)	Inhibition of wild type human eNOS using L-Arg as substrate incubated for 1 hr prior to L-Arg addition
50040322	1	ChEMBL_854009 (CHEMBL2155306)	Inhibition of human F10a using S-2765 as substrate after 45 mins
50040322	2	ChEMBL_854017 (CHEMBL2155314)	Inhibition of F10a assessed as S-2765 substrate hydrolysis by microplate reader analysis
50040322	3	ChEMBL_854018 (CHEMBL2155315)	Inhibition of thrombin assessed as S-2238 substrate hydrolysis by microplate reader analysis
50040322	4	ChEMBL_854019 (CHEMBL2155316)	Inhibition of plasmin assessed as S-2302 substrate hydrolysis by microplate reader analysis
50040322	5	ChEMBL_854020 (CHEMBL2155317)	Inhibition of tPA assessed as S-2288 substrate hydrolysis by microplate reader analysis
50040322	6	ChEMBL_854023 (CHEMBL2155320)	Inhibition of activated protein C assessed as S-2366 substrate hydrolysis by microplate reader analysis
50040323	1	ChEMBL_854036 (CHEMBL2155333)	Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia coli using histone H1 as substrate and [gamma32P]ATP after 30 mins by scintillation counting
50040323	2	ChEMBL_854039 (CHEMBL2155336)	Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma32P]ATP after 30 mins by scintillation counting
50040323	3	ChEMBL_854040 (CHEMBL2155337)	Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma32P]ATP after 30 mins by scintillation counting
50040324	1	ChEMBL_854042 (CHEMBL2155339)	Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter
50040324	2	ChEMBL_854041 (CHEMBL2155338)	Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter
50040324	3	ChEMBL_854044 (CHEMBL2155385)	Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter
50040324	4	ChEMBL_854045 (CHEMBL2155386)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting
50040324	5	ChEMBL_854046 (CHEMBL2155387)	Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostate assessed as inhibition of noradrenaline-induced contractions after 30 mins
50040324	6	ChEMBL_854047 (CHEMBL2155388)	Antagonist activity at alpha1A adrenoceptor in Sprague-Dawley rat prostatic vas deferens assessed as inhibition of noradrenaline-induced contractions after 30 mins
50040324	7	ChEMBL_854048 (CHEMBL2155389)	Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins
50040324	8	ChEMBL_854049 (CHEMBL2155390)	Antagonist activity at alpha1D adrenoceptor in Sprague-Dawley rat thoracic aorta assessed as inhibition of noradrenaline-induced contractions after 30 mins
50040325	1	ChEMBL_854112 (CHEMBL2153943)	Inhibition of human recombinant DHFR using dihydrofolate as substrate by spectrophotometric analysis
50040325	2	ChEMBL_854111 (CHEMBL2153942)	Inhibition of methionine synthase in human HL60 cells using L-homocysteine as substrate incubated for 3 hrs prior to substrate addition measured after 10 mins spectrophotometric analysis
50040326	1	ChEMBL_854146 (CHEMBL2154024)	Binding affinity to DNA-tagged VEGFR2 by qPCR based competitive binding assay
50040326	2	ChEMBL_854147 (CHEMBL2154025)	Competitive inhibition of recombinant GST-tagged VEGFR2 cytoplasmic domain in presence of ATP
50040327	1	ChEMBL_854157 (CHEMBL2154078)	Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay
50040327	2	ChEMBL_854158 (CHEMBL2154079)	Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay
50040328	1	ChEMBL_854192 (CHEMBL2154209)	Transactivation of PPARalpha expressed in HEK293A cells co-expressing GAL4 after 16 to 18 hrs by luciferase reporter gene assay
50040328	2	ChEMBL_854193 (CHEMBL2154210)	Antagonist activity at PPARalpha expressed in HEK293 cells co-expressing GAL4 assessed as inhibition of GW7647-induced transactivation activity after 16 to 18 hrs by luciferase reporter gene assay
50040328	3	ChEMBL_854194 (CHEMBL2154211)	Binding affinity to PPARalpha LBD after 2 hrs by TR-FRET analysis
50040329	1	ChEMBL_854272 (CHEMBL2154438)	Inhibition of MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluorimetric assay
50040329	2	ChEMBL_854273 (CHEMBL2154439)	Inhibition of recombinant MMP9 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluorimetric assay
50040329	3	ChEMBL_854274 (CHEMBL2154440)	Inhibition of recombinant MMP8 catalytic site using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs by fluorimetric assay
50040330	1	ChEMBL_854280 (CHEMBL2154446)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting
50040330	2	ChEMBL_854281 (CHEMBL2154447)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting
50040330	3	ChEMBL_854283 (CHEMBL2154449)	Agonist activity at human CB2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50040331	1	ChEMBL_854304 (CHEMBL2154470)	Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured for 15 mins by Amplex red assay
50040331	2	ChEMBL_854305 (CHEMBL2154471)	Inhibition of human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured for 15 mins by Amplex red assay
50040332	1	ChEMBL_853249 (CHEMBL2154950)	Inverse agonist activity at human histamine H3 receptor by GTPgammaS binding assay
50040332	2	ChEMBL_853237 (CHEMBL2154938)	Binding affinity to rat cortical histamine H3 receptor
50040332	3	ChEMBL_853238 (CHEMBL2154939)	Binding affinity to human histamine H3 receptor
50040332	4	ChEMBL_852846 (CHEMBL2155445)	Binding affinity to guinea pig histamine H3 receptor
50040332	5	ChEMBL_853235 (CHEMBL2154936)	Antagonist activity at human muscarinic M2 receptor
50040332	6	ChEMBL_853254 (CHEMBL2154955)	Binding affinity to rat histamine H4 receptor
50040332	7	ChEMBL_853255 (CHEMBL2154956)	Binding affinity to human histamine H4 receptor
50040332	8	ChEMBL_853256 (CHEMBL2154957)	Agonist activity at human histamine H4 receptor
50040332	9	ChEMBL_853257 (CHEMBL2154958)	Binding affinity to human histamine H1 receptor
50040332	10	ChEMBL_853260 (CHEMBL2154961)	Binding affinity to rhesus monkey histamine H3 receptor
50040333	1	ChEMBL_853017 (CHEMBL2154364)	Displacement of [3S]MK499 from human ERG in HEK293 cells
50040333	2	ChEMBL_853041 (CHEMBL2154388)	Antagonist activity at Cav3.3 at -100 mV holding potential by whole cell patch clamp analysis
50040333	3	ChEMBL_853042 (CHEMBL2154389)	Antagonist activity at Cav3.3 at -80 mV holding potential by whole cell patch clamp analysis
50001293	1	ChEMBL_1714487 (CHEMBL4124536)	Inhibition of APN in porcine kidney microsomes using L-Leu-pnitroanilide as substrate pretreated for 5 mins followed by substrate addition measured after 30 mins
50001293	2	ChEMBL_1714489 (CHEMBL4124538)	Inhibition of APN in human ES2 cells using L-Leu-pnitroanilide as substrate pretreated for 5 mins followed by substrate addition measured after 1 hr
50040335	1	ChEMBL_853148 (CHEMBL2154697)	Inhibition of human ERG
50040335	2	ChEMBL_853152 (CHEMBL2154701)	Inhibition of Abl
50040335	3	ChEMBL_853153 (CHEMBL2154702)	Inhibition of TrkA
50040335	4	ChEMBL_853154 (CHEMBL2154703)	Inhibition of Flt3
50040335	5	ChEMBL_853155 (CHEMBL2154704)	Inhibition of Fgr
50040335	6	ChEMBL_853156 (CHEMBL2154705)	Inhibition of BTK
50040335	7	ChEMBL_853157 (CHEMBL2154706)	Inhibition of SIK
50040335	8	ChEMBL_853158 (CHEMBL2154707)	Inhibition of PhKg2
50040335	9	ChEMBL_853159 (CHEMBL2154708)	Inhibition of FGFR1
50040335	10	ChEMBL_853160 (CHEMBL2154709)	Inhibition of SAPK2a
50040335	11	ChEMBL_853161 (CHEMBL2154710)	Inhibition of FAK
50040335	12	ChEMBL_853162 (CHEMBL2154711)	Inhibition of cSrc
50040335	13	ChEMBL_853163 (CHEMBL2154712)	Inhibition of TSSK2
50040335	14	ChEMBL_853164 (CHEMBL2154713)	Inhibition of ALK
50040335	15	ChEMBL_853165 (CHEMBL2154714)	Inhibition of MLK1
50040335	16	ChEMBL_853166 (CHEMBL2154715)	Inhibition of FLT4
50040335	17	ChEMBL_853167 (CHEMBL2154716)	Inhibition of JAK2
50040335	18	ChEMBL_853168 (CHEMBL2154717)	Inhibition of Itk
50040335	19	ChEMBL_853169 (CHEMBL2154718)	Inhibition of WNK3
50040336	1	ChEMBL_853292 (CHEMBL2155052)	Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells
50040336	2	ChEMBL_853294 (CHEMBL2155054)	Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells
50040337	1	ChEMBL_853296 (CHEMBL2155056)	Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50040337	2	ChEMBL_853298 (CHEMBL2155058)	Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50040337	3	ChEMBL_853297 (CHEMBL2155057)	Inhibition of human A1 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50001293	3	ChEMBL_1714490 (CHEMBL4124539)	Inhibition of APN in human PLC/PRF/5 cells using L-Leu-pnitroanilide as substrate pretreated for 5 mins followed by substrate addition measured after 1 hr
50040339	1	ChEMBL_853355 (CHEMBL2155145)	Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting in presence of 100 units/mL of catalase
50040339	2	ChEMBL_853356 (CHEMBL2155146)	Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting
50040339	3	ChEMBL_853358 (CHEMBL2155148)	Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting in presence of 100 units/mL of catalase
50040339	4	ChEMBL_853360 (CHEMBL2155150)	Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting
50040339	5	ChEMBL_853362 (CHEMBL2155182)	Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting in presence of 100 units/mL of catalase
50040339	6	ChEMBL_853351 (CHEMBL2155141)	Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting
50040339	7	ChEMBL_853353 (CHEMBL2155143)	Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins by fluorescence assay
50040340	1	ChEMBL_853333 (CHEMBL2155123)	Agonist activity at GPR40 expressed in CHO cells after 20 seconds by aequorin bioluminescence assay in presence of 0.1 % human serum
50040340	2	ChEMBL_853334 (CHEMBL2155124)	Agonist activity at GPR40 expressed in CHO cells after 20 seconds by aequorin bioluminescence assay in presence of 100 % human serum
50040341	1	ChEMBL_853388 (CHEMBL2155208)	Inhibition of human TGM2
50040341	2	ChEMBL_853390 (CHEMBL2155210)	Inhibition of human TGM1
50040341	3	ChEMBL_853391 (CHEMBL2155211)	Inhibition of human TGM3
50040341	4	ChEMBL_853392 (CHEMBL2155212)	Inhibition of human TGM6
50040341	5	ChEMBL_853393 (CHEMBL2155213)	Inhibition of human factor-13A
50040341	6	ChEMBL_853394 (CHEMBL2155214)	Inhibition of mouse TGM2
50040342	1	ChEMBL_853422 (CHEMBL2155280)	Inhibition of human 11betaHSD1 by scintillation proximity assay
50040342	2	ChEMBL_853421 (CHEMBL2155279)	Inhibition of mouse 11betaHSD1 by scintillation proximity assay
50040342	3	ChEMBL_853423 (CHEMBL2155281)	Inhibition of 11betaHSD1 expressed in HEK cells
50040342	4	ChEMBL_853417 (CHEMBL2155275)	Inhibition of human 11betaHSD2
50040342	5	ChEMBL_853405 (CHEMBL2155225)	Inhibition of mouse 11betaHSD1 in 3T3L1 cells assessed as conversion of [1,2-(N)3H]-cortisone to cortisol after 1 hr by liquid scintillation counter
50040343	1	ChEMBL_853433 (CHEMBL2155291)	Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30 seconds
50040343	2	ChEMBL_853436 (CHEMBL2155294)	Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-stimulated mouse RAW264.7 cells assessed as 2-AG to PGE2-G/PGD2-G conversion treated 2 hrs after LPS/IFN-gamma stimulation measured after 6 hrs
50040344	1	ChEMBL_853459 (CHEMBL2155356)	Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence method
50040344	2	ChEMBL_853460 (CHEMBL2155357)	Inhibition of human plasma renin activity after 60 mins by competitive RIA
50040344	3	ChEMBL_853461 (CHEMBL2155358)	Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA
50040344	4	ChEMBL_853462 (CHEMBL2155359)	Inhibition of human cathepsin D
50040344	5	ChEMBL_853463 (CHEMBL2155360)	Inhibition of human cathepsin E
50040345	1	ChEMBL_853478 (CHEMBL2155375)	Inhibition of human Shh-induced mouse C3H10T1/2 cell differentiation after 48 hrs by alkaline phosphatase reporter assay
50040345	2	ChEMBL_853480 (CHEMBL2155377)	Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced cell differentiation after 48 hrs by alkaline phosphatase reporter assay
50040345	3	ChEMBL_853482 (CHEMBL2155379)	Inhibition of Smo in mouse C3H10T1/2 cells assessed as inhibition of human Shh-induced Gli1 transcriptional activity after 48 hrs by RT-PCR analysis
50040345	4	ChEMBL_853485 (CHEMBL2155382)	Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli1 transcriptional activity
50040345	5	ChEMBL_853486 (CHEMBL2155383)	Inhibition of Smo in mouse Ptch-deficient MEF cells assessed as inhibition of Shh-induced Gli-responsive betagalactosidase activity after 30 hrs by BetaGLo assay
50040346	1	ChEMBL_853501 (CHEMBL2153878)	Inhibition of JNK1 after 30 mins by TR-FRET assay
50040346	2	ChEMBL_853502 (CHEMBL2153879)	Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay
50040347	1	ChEMBL_853544 (CHEMBL2153962)	Inhibition of Bacillus subtilis FtsZ GTPase activity by enzyme-coupled assay
50040348	1	ChEMBL_853548 (CHEMBL2153966)	Inhibition of human Kv1.5 ion channel after 3 mins by high-throughput planar patch clamp assay
50040348	2	ChEMBL_853549 (CHEMBL2153967)	Inhibition of human ERG expressed in CHOK1 cells
50040348	3	ChEMBL_853553 (CHEMBL2153971)	Inhibition of human recombinant CYP3A4 expressed in Escherichia coli
50040348	4	ChEMBL_853554 (CHEMBL2153972)	Inhibition of human recombinant CYP2C9 expressed in Escherichia coli
50040348	5	ChEMBL_853555 (CHEMBL2153973)	Inhibition of human recombinant CYP1A2 expressed in Escherichia coli
50040348	6	ChEMBL_853556 (CHEMBL2153974)	Inhibition of human recombinant CYP2C19 expressed in Escherichia coli
50040348	7	ChEMBL_853557 (CHEMBL2153975)	Inhibition of human recombinant CYP2D6 expressed in Escherichia coli
50040349	1	ChEMBL_853571 (CHEMBL2153989)	Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins
50040349	2	ChEMBL_853573 (CHEMBL2153991)	Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins
50040349	3	ChEMBL_853566 (CHEMBL2153984)	Inhibition of Electric eel AChE using acetylthiocholine as substrate after 2 mins
50040349	4	ChEMBL_853567 (CHEMBL2153985)	Inhibition of equine serum BChE using acetylthiocholine as substrate after 2 mins
50040350	1	ChEMBL_853577 (CHEMBL2153995)	Blockade of Nav1.7 by FLIPR TETRA sodium dye assay in presence of KCl salt
50040350	2	ChEMBL_853578 (CHEMBL2153996)	Blockade of Nav1.7 by electrophysiological patch clamp assay
50040352	1	ChEMBL_853587 (CHEMBL2154042)	Inhibition of EphB4 by FRET assay in presence of 30 uM ATP
50040352	2	ChEMBL_853586 (CHEMBL2154041)	Inhibition of EphB4 in presence of 1 uM radiolabeled ATP
50040352	3	ChEMBL_853585 (CHEMBL2154040)	Inhibition of recombinant Src catalytic domain in presence of 1 uM radiolabeled ATP
50040352	4	ChEMBL_853582 (CHEMBL2154037)	Inhibition of recombinant Abl1 catalytic domain in presence of 1 uM radiolabeled ATP
50040352	5	ChEMBL_853581 (CHEMBL2154036)	Inhibition of recombinant Lck catalytic domain in presence of 1 uM radiolabeled ATP
50040352	6	ChEMBL_853584 (CHEMBL2154039)	Inhibition of recombinant EGFR catalytic domain in presence of 1 uM radiolabeled ATP
50040352	7	ChEMBL_853583 (CHEMBL2154038)	Inhibition of human full length EphB4 expressed in MEF cells assessed as inhibition of human ephrin B2/FC chimera-stimulated receptor autophosphorylation
50040353	1	ChEMBL_853591 (CHEMBL2154046)	Binding affinity to LRRK2
50040354	1	ChEMBL_853592 (CHEMBL2154047)	Inhibition of human mPGES-1
50040354	3	ChEMBL_853594 (CHEMBL2154049)	Inhibition of mPGES-1 in human whole blood
50040355	1	ChEMBL_853595 (CHEMBL2154050)	Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay
50040355	2	ChEMBL_853596 (CHEMBL2154051)	Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay
50040356	1	ChEMBL_853604 (CHEMBL2154059)	Binding affinity to first bromodomain of BRD4
50040357	1	ChEMBL_853606 (CHEMBL2154061)	Inhibition of Staphylococcus aureus DNA gyrase Gyr B subunit by ATPase assay
50040357	2	ChEMBL_853607 (CHEMBL2154062)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 Par E subunit by ATPase assay
50001294	1	ChEMBL_1714517 (CHEMBL4124566)	Inhibition of human carboxypeptidase N preincubated for 10 mins followed by hippuryl-lysine substrate addition measured after 30 mins in presence of DTT
50001294	2	ChEMBL_1714513 (CHEMBL4124562)	Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor after 10 mins in presence of DTT
50001294	3	ChEMBL_1714519 (CHEMBL4124568)	Inhibition of human carboxypeptidase N preincubated for 10 mins followed by hippuryl-lysine substrate addition measured after 30 mins in absence of DTT
50001294	4	ChEMBL_1714516 (CHEMBL4124565)	Inhibition of porcine pancreas carboxypeptidase B after 10 mins in absence of DTT
50001294	5	ChEMBL_1714515 (CHEMBL4124564)	Inhibition of porcine pancreas carboxypeptidase B after 10 mins in presence of DTT
50001294	6	ChEMBL_1714514 (CHEMBL4124563)	Inhibition of human plasma activated thrombin-activatable fibrinolysis inhibitor after 10 mins in absence of DTT
50001295	1	ChEMBL_1714522 (CHEMBL4124571)	Inhibition of human LDH5 using pyruvate as substrate after 10 mins
50001297	1	ChEMBL_1714532 (CHEMBL4124581)	Agonist activity at human PK-tagged OXER1 expressed in CHOK1 cells assessed as EA-tagged beta-arrestin recruitment by beta-galactosidase enzyme fragment complementation assay
50001298	1	ChEMBL_1714534 (CHEMBL4124583)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition measured for 6 mins by Ellman's method
50001298	2	ChEMBL_1714535 (CHEMBL4124584)	Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured by Lineweaver-Burk double reciprocal plot analysis
50001300	1	ChEBML_1714578	Inhibition of PIM2 (unknown origin)
50040364	1	ChEMBL_853861 (CHEMBL2154887)	Binding affinity to CLK2
50040364	2	ChEMBL_853854 (CHEMBL2154880)	Binding affinity to AAK1
50040364	3	ChEMBL_853855 (CHEMBL2154881)	Binding affinity to BMPR1B
50040364	4	ChEMBL_853856 (CHEMBL2154882)	Binding affinity to CAMK2G
50040364	5	ChEMBL_853857 (CHEMBL2154883)	Binding affinity to CAMKK1
50040364	7	ChEMBL_853859 (CHEMBL2154885)	Binding affinity to CDK7
50040364	8	ChEMBL_853860 (CHEMBL2154886)	Binding affinity to CDKL5
50040364	9	ChEMBL_853862 (CHEMBL2154888)	Binding affinity to DYRK1A
50040364	10	ChEMBL_853864 (CHEMBL2154984)	Binding affinity to IRAK3
50040364	11	ChEMBL_853865 (CHEMBL2154985)	Binding affinity to PIK3C2G
50040364	12	ChEMBL_853866 (CHEMBL2154986)	Binding affinity to PIK4CB
50040364	13	ChEMBL_853867 (CHEMBL2154987)	Binding affinity to PRKCE
50040364	14	ChEMBL_853868 (CHEMBL2154988)	Binding affinity to C-terminal kinase domain 2 of RPS6KA1
50040364	15	ChEMBL_853869 (CHEMBL2154989)	Binding affinity to JH domain of TYK2
50040364	16	ChEMBL_853870 (CHEMBL2154990)	Binding affinity to ULK1
50040364	17	ChEMBL_853871 (CHEMBL2154991)	Binding affinity to YANK2
50040364	18	ChEMBL_853872 (CHEMBL2154992)	Binding affinity to YSK4
50001300	2	ChEBML_1714579	Inhibition of PIM3 (unknown origin)
50040364	20	ChEMBL_853878 (CHEMBL2154998)	Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate
50040364	21	ChEMBL_853880 (CHEMBL2155000)	Inhibition of human recombinant PIM1 using [gamma-32P] ATP after 30 mins by scintillation counting
50040364	22	ChEMBL_853852 (CHEMBL2154878)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting
50040365	1	ChEMBL_852798 (CHEMBL2156105)	Displacement of [3H]prazosin from rat liver adrenergic alpha1B receptor after 45 mins by liquid scintillation counter
50040365	2	ChEMBL_852797 (CHEMBL2156104)	Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter
50040365	3	ChEMBL_852796 (CHEMBL2156103)	Antagonist activity at adrenergic alpha 1D receptor in rat thoracic aorta assessed as inhibition of noradrenaline-induced contraction after 1 hr
50040366	1	ChEMBL_852803 (CHEMBL2156110)	Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD12 expressed in Escherichia coli by isothermal titration calorimetric analysis
50040366	2	ChEMBL_852804 (CHEMBL2156111)	Binding affinity to N-terminal portion of human Brd3 containing bromodomain BD12 expressed in Escherichia coli by isothermal titration calorimetric analysis
50040366	3	ChEMBL_852805 (CHEMBL2156112)	Binding affinity to N-terminal portion of human Brd4 containing bromodomain BD12 expressed in Escherichia coli by isothermal titration calorimetric analysis
50040366	4	ChEMBL_852819 (CHEMBL2156126)	Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD1 expressed in Escherichia coli at 16 degC by isothermal titration calorimetric analysis
50040366	5	ChEMBL_852808 (CHEMBL2156115)	Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD2 expressed in Escherichia coli at 26 degC by isothermal titration calorimetric analysis
50040366	6	ChEMBL_852818 (CHEMBL2156125)	Binding affinity to N-terminal portion of human Brd2 containing bromodomain BD12 expressed in Escherichia coli at 26 degC by isothermal titration calorimetric analysis
50040366	7	ChEMBL_852810 (CHEMBL2156117)	Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis
50040366	8	ChEMBL_852811 (CHEMBL2156118)	Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis
50040366	9	ChEMBL_852812 (CHEMBL2156119)	Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis
50040366	10	ChEMBL_852806 (CHEMBL2156113)	Binding affinity to human Brd2 containing bromodomain BD1 expressed in Escherichia coli assessed as dissociation constant at 25 degC by surface plasma resonance
50040366	11	ChEMBL_852807 (CHEMBL2156114)	Binding affinity to human Brd2 containing bromodomain BD2 expressed in Escherichia coli assessed as dissociation constant at 25 degC by surface plasma resonance
50040366	12	ChEMBL_852814 (CHEMBL2156121)	Binding affinity to CREBBP by isothermal titration calorimetric analysis
50040366	13	ChEMBL_852815 (CHEMBL2156122)	Binding affinity to ATAD2 by isothermal titration calorimetric analysis
50040367	1	ChEMBL_852820 (CHEMBL2156127)	Antagonist activity at human GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-induced increase in intracellular calcium level by FLIPR assay
50040367	2	ChEMBL_852824 (CHEMBL2155423)	Antagonist activity at rat GPR91 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-induced increase in intracellular calcium level by FLIPR assay
50040367	3	ChEMBL_852825 (CHEMBL2155424)	Antagonist activity at human GPR99 receptor expressed in CHO-K1 cells co-expressing Galpha and Gqi5 G-protein assessed as inhibition of succinate-induced increase in intracellular calcium level at by FLIPR assay
50040367	4	ChEMBL_852821 (CHEMBL2155420)	Antagonist activity at human bradykinin B1 receptor expressed in human CHO cells assessed as inhibition of calcium flux by FLIPR assay
50040368	1	ChEMBL_852936 (CHEMBL2154120)	Inhibition of human OCT2 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay
50040368	2	ChEMBL_852938 (CHEMBL2154122)	Inhibition of human OCT1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay
50040368	3	ChEMBL_852939 (CHEMBL2154123)	Inhibition of human MATE1 expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay
50040368	4	ChEMBL_852940 (CHEMBL2154124)	Inhibition of human MATE2-K expressed in HEK-293-Flp-In cells incubated for 3 mins by ASP+ substrate uptake assay
50040369	1	ChEMBL_852941 (CHEMBL2154125)	Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting
50040369	2	ChEMBL_852942 (CHEMBL2154126)	Inhibition of SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting
50040369	3	ChEMBL_852943 (CHEMBL2154127)	Inhibition of SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting
50040369	4	ChEMBL_852945 (CHEMBL2154129)	Inhibition of human SCD-1
50040369	5	ChEMBL_852946 (CHEMBL2154130)	Inhibition of rat SCD-1
50040369	6	ChEMBL_852947 (CHEMBL2154131)	Inhibition of mouse SCD-1
50040369	7	ChEMBL_852948 (CHEMBL2154132)	Inhibition of rat delta-5 desaturase activity expressed in human HEpG2 cells
50040369	8	ChEMBL_852949 (CHEMBL2154133)	Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells
50040369	9	ChEMBL_852950 (CHEMBL2154134)	Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells
50040369	10	ChEMBL_852951 (CHEMBL2154135)	Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells
50040369	11	ChEMBL_853223 (CHEMBL2154840)	Inhibition of SCD-1 activity in human Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] stearoyl CoA desaturation after 1 hr by scintillation counting
50040370	1	ChEMBL_853100 (CHEMBL2154568)	Displacement of [3H]CPX from adenosine A1 receptor in rat brain cortical membrane
50040370	2	ChEMBL_852584 (CHEMBL2156695)	Displacement of [125I]ZM241385 from adenosine A2A receptor in rat brain striatum membrane
50040370	3	ChEMBL_853229 (CHEMBL2154930)	Displacement of [3H]MRS-1754 from human recombinant adenosine A2B receptor expressed in HEK293 cells
50040370	4	ChEMBL_853228 (CHEMBL2154929)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells
50040370	5	ChEMBL_852593 (CHEMBL2156704)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane
50040370	6	ChEMBL_852595 (CHEMBL2156706)	Binding affinity to rat adenosine A3 receptor
50040370	7	ChEMBL_852594 (CHEMBL2156705)	Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane
50040370	8	ChEMBL_852592 (CHEMBL2156703)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane
50040370	9	ChEMBL_852589 (CHEMBL2156700)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane
50040370	10	ChEMBL_853050 (CHEMBL2154397)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells
50040370	11	ChEMBL_853233 (CHEMBL2154934)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells
50040370	12	ChEMBL_853232 (CHEMBL2154933)	Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells
50040370	13	ChEMBL_853052 (CHEMBL2154399)	Displacement of [3H]MSX-2 from rat adenosine A2A receptor
50040370	14	ChEMBL_853053 (CHEMBL2154400)	Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaCl
50040370	15	ChEMBL_852586 (CHEMBL2156697)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50040370	16	ChEMBL_853230 (CHEMBL2154931)	Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells
50040371	1	ChEMBL_850654 (CHEMBL2155744)	Inhibition of CD2 assessed as inhibition of CD2-CD58 protein-protein interaction mediated cell adhesion between CD58 expressing sheep red blood cells and CD2 expressing human Jurkat cells by E-rosettes assay
50040372	1	ChEMBL_850730 (CHEMBL2155999)	Inhibition of DPP4
50040372	2	ChEMBL_850731 (CHEMBL2156000)	Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation counting
50040372	3	ChEMBL_850739 (CHEMBL2156008)	Inhibition of Leishmania major FPPS
50040372	4	ChEMBL_850741 (CHEMBL2156010)	Inhibition of ACE
50040372	5	ChEMBL_850719 (CHEMBL2155988)	Inhibition of MMP-2
50040372	6	ChEMBL_850718 (CHEMBL2155987)	Inhibition of MMP-8
50040372	7	ChEMBL_850712 (CHEMBL2155981)	Inhibition of MMP-13
50040372	8	ChEMBL_850722 (CHEMBL2155991)	Inhibition of LAP
50040372	9	ChEMBL_850721 (CHEMBL2155990)	Inhibition of APN
50040372	10	ChEMBL_850717 (CHEMBL2155986)	Inhibition of MMP-9
50040372	11	ChEMBL_850716 (CHEMBL2155985)	Inhibition of MMP-11
50040372	12	ChEMBL_850715 (CHEMBL2155984)	Inhibition of MMP-14
50040372	13	ChEMBL_850714 (CHEMBL2155983)	Inhibition of MMP-1
50040372	14	ChEMBL_850713 (CHEMBL2155982)	Inhibition of MMP-7
50040372	15	ChEMBL_850711 (CHEMBL2155980)	Inhibition of human ACE C-terminal domain expressed in CHO cells after 90 mins by fluorescence assay
50040372	16	ChEMBL_850710 (CHEMBL2155979)	Inhibition of human ACE N-terminal domain expressed in CHO cells after 90 mins by fluorescence assay
50040372	17	ChEMBL_850709 (CHEMBL2155978)	Inhibition of NEP
50040373	1	ChEMBL_850744 (CHEMBL2156013)	Inhibition of PKCdelta by scintillation proximity assay
50040373	2	ChEMBL_850745 (CHEMBL2156014)	Inhibition of PKCepsilon by scintillation proximity assay
50040373	4	ChEMBL_850747 (CHEMBL2156016)	Inhibition of PKCtheta by scintillation proximity assay
50040373	6	ChEMBL_850743 (CHEMBL2156012)	Inhibition of PKCbeta-1 by scintillation proximity assay
50001300	3	ChEBML_1714577	Inhibition of PIM1 (unknown origin)
50040373	7	ChEMBL_850793 (CHEMBL2156173)	Inhibition of CYP3A4-catalyzed midazolam 1'-hydroxylation in human liver microsomes
50040374	1	ChEMBL_851004 (CHEMBL2157384)	Irreversible inhibition of human recombinant FAAH assessed as hydrolysis of [3H]-AEA after 10 mins by liquid scintillation counting
50040374	2	ChEMBL_851005 (CHEMBL2157385)	Reversible inhibition of human recombinant FAAH assessed as hydrolysis of [3H]-AEA after 10 mins by liquid scintillation counting
50040375	1	ChEMBL_851150 (CHEMBL2157807)	Binding affinity to alpha7 nAChR
50040375	2	ChEMBL_851183 (CHEMBL2157840)	Binding affinity to alpha4beta2 nAChR
50040375	3	ChEMBL_851187 (CHEMBL2157844)	Displacement of [3H]-BRL-43694 from human 5HT3 receptor
50040375	4	ChEMBL_851164 (CHEMBL2157821)	Agonist activity at rat alpha7 nAchR expressed in Xenopus oocyte
50040375	5	ChEMBL_851161 (CHEMBL2157818)	Displacement of [3H]-MLA from alpha7 nAChR
50040375	6	ChEMBL_851160 (CHEMBL2157817)	Agonist activity at human recombinant alpha7 nAChR expressed in GH4 cells
50040375	7	ChEMBL_851158 (CHEMBL2157815)	Binding affinity to human alpha7 nAchR
50040375	8	ChEMBL_851157 (CHEMBL2157814)	Agonist activity at human alpha7 nAChR
50040375	9	ChEMBL_851155 (CHEMBL2157812)	Binding affinity to human alpha4beta2 nAChR
50040375	10	ChEMBL_851154 (CHEMBL2157811)	Binding affinity to human 5HT3A receptor
50040375	11	ChEMBL_851153 (CHEMBL2157810)	Inhibition of human ERG
50040375	12	ChEMBL_851152 (CHEMBL2157809)	Binding affinity to 5HT3 receptor
50040375	13	ChEMBL_851151 (CHEMBL2157808)	Agonist activity at alpha7 nAChR
50040375	14	ChEMBL_851149 (CHEMBL2157806)	Inhibition of 5HT3 receptor
50040375	15	ChEMBL_851147 (CHEMBL2157804)	Displacement of [3H]-MLA from alpha7 nAChR in rat brain membranes
50040375	16	ChEMBL_851146 (CHEMBL2157803)	Agonist activity at wild type monkey alpha7 nAChR by whole cell patch clamp assay
50040375	17	ChEMBL_851143 (CHEMBL2157800)	Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte
50040375	18	ChEMBL_851142 (CHEMBL2157799)	Agonist activity at human alpha7 nAChR expressed in QM7 cells
50040375	19	ChEMBL_851141 (CHEMBL2157694)	Antagonist activity at 5HT3 receptor expressed in Xenopus oocyte
50040375	20	ChEMBL_851140 (CHEMBL2157693)	Antagonist activity at 5HT3 receptor expressed in N1E115 cells
50040375	21	ChEMBL_851135 (CHEMBL2157688)	Binding affinity to human recombinant 5HT3 receptor
50040375	22	ChEMBL_851134 (CHEMBL2157687)	Agonist activity at rat recombinant alpha7 nAChR
50040375	23	ChEMBL_851133 (CHEMBL2157686)	Binding affinity to alpha7 nAChR in rat hippocampal membranes
50040375	24	ChEMBL_851189 (CHEMBL2157846)	Binding affinity to human alpha7 nAChR expressed in HEK293 cells co-expressing RIC3 cDNA
50040375	25	ChEMBL_851168 (CHEMBL2157825)	Displacement of [3H]-MLA from alpha7 nAChR in rat hippocampal synaptosomes
50040375	26	ChEMBL_851170 (CHEMBL2157827)	Binding affinity to rat alpha7 nAchR
50040375	27	ChEMBL_851173 (CHEMBL2157830)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus oocytes relative to acetylcholine
50040375	28	ChEMBL_851174 (CHEMBL2157831)	Partial agonist activity at human alpha7 nAChR expressed in GH4C1 cells relative to acetylcholine
50040375	29	ChEMBL_851175 (CHEMBL2157832)	Displacement of [125I]alpha-bungarotoxin from human recombinant alpha7 nAchR
50040375	30	ChEMBL_851176 (CHEMBL2157833)	Agonist activity at human recombinant alpha7 nAChR expressed in human GH3 cells by calcium flux assay
50040375	31	ChEMBL_851178 (CHEMBL2157835)	Agonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as induction of inward current
50040375	32	ChEMBL_851186 (CHEMBL2157843)	Binding affinity to alpha7 nAchR in human frontal cortex membranes
50040375	33	ChEMBL_851190 (CHEMBL2157847)	Displacement of [3H]A-585539 from alpha7 nAChR rat cortex
50040375	34	ChEMBL_851191 (CHEMBL2157848)	Displacement of [3H]A-585539 from alpha7 nAChR human cortex
50040375	35	ChEMBL_851194 (CHEMBL2155622)	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of nicotine-induced calcium signal
50040375	36	ChEMBL_851195 (CHEMBL2155623)	Antagonist activity at human alpha7 nAChR expressed in Xenopus oocyte
50040375	37	ChEMBL_851197 (CHEMBL2155625)	Displacement of [125I]alpha-Bungarotoxin from alpha7 nAchR in mouse hippocampal membranes
50040375	38	ChEMBL_851198 (CHEMBL2155626)	Antagonist activity at alpha7 nAChR assessed as amplitude of acetylcholine evoked currents
50040375	39	ChEMBL_851200 (CHEMBL2155628)	Antagonist activity at alpha4beta2 nAChR assessed as amplitude of acetylcholine evoked currents
50040375	40	ChEMBL_851163 (CHEMBL2157820)	Displacement of [125I]alpha-Bungarotoxin from alpha7 nAchR
50040375	41	ChEMBL_851016 (CHEMBL2157396)	Inhibition of CYP2D6
50040375	42	ChEMBL_851185 (CHEMBL2157842)	Binding affinity to alpha7 nAChR in rat brain membranes
50040376	3	ChEMBL_851387 (CHEMBL2156217)	Displacement of [3H]naloxone from MOR in rat brain homogenates by liquid scintillation counting
50040376	4	ChEMBL_851388 (CHEMBL2156218)	Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting
50040376	6	ChEMBL_851383 (CHEMBL2156213)	Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting
50040376	7	ChEMBL_851385 (CHEMBL2156215)	Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting
50040377	1	ChEMBL_851741 (CHEMBL2156083)	Inhibition of recombinant CYP3A4 NF-14 expressed in Escherichia coli assessed as formation of 6-beta-hydroxytestosterone using testosterone as substrate after 5 mins by HPLC based UV method
50040378	1	ChEMBL_851752 (CHEMBL2156220)	Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubation by luciferase reporter gene assay
50040378	2	ChEMBL_851753 (CHEMBL2156221)	Activation of GFP-tagged HIF1alpha expressed in human U2OS cells assessed as HIF1alpha nuclear translocation by high content imaging assay
50040378	3	ChEMBL_851754 (CHEMBL2156222)	Activation of human HIF1alpha expressed in human U2OS cells assessed as increase in VEGF expression by RT-PCR analysis
50040378	4	ChEMBL_851772 (CHEMBL2156240)	Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubation by luciferase reporter gene assay in presence of 50 uM iron
50040378	5	ChEMBL_851773 (CHEMBL2156241)	Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubation by luciferase reporter gene assay in presence of 50 uM zinc
50040379	1	ChEMBL_851776 (CHEMBL2156244)	Agonist activity at human mGlu 2 expressed in CHO cells assessed as [35S]GTPgammaS binding by liquid scintillation analysis
50040379	2	ChEMBL_851783 (CHEMBL2156251)	Agonist activity at human mGlu 7 expressed in HEK293 cells by Ca+2 assay
50040380	1	ChEMBL_852004 (CHEMBL2157129)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting
50040381	1	ChEMBL_852005 (CHEMBL2157130)	Inhibition of His-tagged Cdc25A expressed in the Escherichia coli BL21(DE3) using p-nitrophenyl phosphate as substrate for 80 mins by spectrophotometry
50040381	2	ChEMBL_852006 (CHEMBL2157131)	Inhibition of 5-LOX
50040382	3	ChEMBL_852008 (CHEMBL2157133)	Inhibition of human PI3Kalpha expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay
50040382	4	ChEMBL_852010 (CHEMBL2157135)	Inhibition of human PI3Kbeta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay
50040382	5	ChEMBL_852011 (CHEMBL2157136)	Inhibition of human PI3Kdelta expressed in sf9 cells coexpressing p85alpha assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay
50040382	6	ChEMBL_850899 (CHEMBL2156882)	Inhibition of human Erg expressed in CHO cells after 5 mins
50040382	7	ChEMBL_850901 (CHEMBL2156884)	Inhibition of human CYP1A2 using phenacetin as substrate after 15 mins by LC/MS/MS analysis
50040382	8	ChEMBL_850902 (CHEMBL2156885)	Inhibition of human CYP2C19 using mephenytoin as substrate after 45 mins by LC/MS/MS analysis
50040382	9	ChEMBL_850903 (CHEMBL2156886)	Inhibition of human CYP2C8 using paclitaxel as substrate after 45 mins by LC/MS/MS analysis
50040382	10	ChEMBL_850904 (CHEMBL2156887)	Inhibition of human CYP2C9 using tolbutamide as substrate after 15 mins by LC/MS/MS analysis
50040382	12	ChEMBL_850907 (CHEMBL2156890)	Inhibition of human CYP3A4 using testosterone as substrate after 15 mins by LC/MS/MS analysis
50040382	13	ChEMBL_850908 (CHEMBL2156891)	Inhibition of AKT1
50040382	15	ChEMBL_850910 (CHEMBL2156893)	Inhibition of c-Met
50040382	16	ChEMBL_850911 (CHEMBL2156894)	Inhibition of CDC7
50040382	18	ChEMBL_850913 (CHEMBL2156896)	Inhibition of CRAF1
50040382	19	ChEMBL_850915 (CHEMBL2156898)	Inhibition of EGFR
50040382	20	ChEMBL_850916 (CHEMBL2156899)	Inhibition of FGFR1
50040382	21	ChEMBL_850917 (CHEMBL2156900)	Inhibition of Flt3
50040382	22	ChEMBL_850919 (CHEMBL2156902)	Inhibition of IRK
50040382	23	ChEMBL_850920 (CHEMBL2156903)	Inhibition of JAK2
50040382	24	ChEMBL_850921 (CHEMBL2156904)	Inhibition of KDR
50040382	25	ChEMBL_850923 (CHEMBL2156906)	Inhibition of Platelet-derived growth factor subunit B
50040382	26	ChEMBL_850924 (CHEMBL2156907)	Inhibition of PDK1
50040382	27	ChEMBL_850926 (CHEMBL2156909)	Inhibition of SRC
50040382	28	ChEMBL_850927 (CHEMBL2156910)	Inhibition of mTOR
50040383	1	ChEMBL_855539 (CHEMBL2162844)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr
50040383	2	ChEMBL_855540 (CHEMBL2162845)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells after 1 hr
50040383	3	ChEMBL_855541 (CHEMBL2162846)	Binding affinity to human dopamine D2L receptor expressed in HEK293 cells after 1 hr
50040383	4	ChEMBL_855538 (CHEMBL2162843)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr
50040384	1	ChEMBL_855545 (CHEMBL2162850)	Non-competitive inhibition of Clostridium botulinum neurotoxin serotype A light chain using 66-mer peptide by LC/MS assay
50040384	2	ChEMBL_855550 (CHEMBL2162855)	Inhibition of Clostridium botulinum neurotoxin serotype A light chain in Sprague-Dawley rat cerebellar granule cells assessed as protection against SNAP-25 cleavage at pre-exposed to compound before toxin addition measured 4 hrs post dose by SDS-PAGE based densitometry
50040385	1	ChEMBL_855559 (CHEMBL2162864)	Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay
50040385	2	ChEMBL_855560 (CHEMBL2162865)	Inhibition of USP47 by Ub-CHOP reporter assay
50040386	1	ChEMBL_855576 (CHEMBL2163022)	Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production
50040386	2	ChEMBL_855746 (CHEMBL2160914)	Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production
50040386	3	ChEMBL_855747 (CHEMBL2160915)	Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay
50040386	4	ChEMBL_855589 (CHEMBL2163035)	Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as notch cleavage
50040387	1	ChEMBL_855963 (CHEMBL2161837)	Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate
50040387	2	ChEMBL_855961 (CHEMBL2161835)	Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate
50040387	3	ChEMBL_855956 (CHEMBL2161830)	Inhibition of CD45
50040387	4	ChEMBL_855971 (CHEMBL2161972)	Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate
50040387	5	ChEMBL_855966 (CHEMBL2161840)	Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate
50040387	6	ChEMBL_855972 (CHEMBL2161973)	Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate
50040387	7	ChEMBL_855962 (CHEMBL2161836)	Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate
50040387	8	ChEMBL_855947 (CHEMBL2161821)	Inhibition of LYP expressed in Escherichia coli BL21 using ARLIED-NEpYTAREG substrate
50040388	1	ChEMBL_855975 (CHEMBL2161976)	Inhibition of human ERG
50040388	2	ChEMBL_856195 (CHEMBL2162879)	Inhibition of human ERG expressed in mammalian cells by patch clamp method
50040389	3	ChEMBL_856196 (CHEMBL2162880)	Binding affinity to His6-tagged human XIAP BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by fluorescence polarization assay
50040389	4	ChEMBL_856197 (CHEMBL2162881)	Binding affinity to human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by fluorescence polarization assay
50040389	5	ChEMBL_856198 (CHEMBL2162882)	Binding affinity to human cIAP2 BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by fluorescence polarization assay
50001300	4	ChEMBL_1714577 (CHEMBL4124626)	Inhibition of PIM1 (unknown origin)
50001300	5	ChEMBL_1714579 (CHEMBL4124628)	Inhibition of PIM3 (unknown origin)
50001302	1	ChEMBL_1714647 (CHEMBL4124696)	Inhibition of human ERG by patch clamp method
50001302	2	ChEMBL_1714634 (CHEMBL4124683)	Inhibition of dofetilide binding to human ERG by fluorescence polarization assay
50001302	3	ChEMBL_1714644 (CHEMBL4124693)	Inhibition of CYP2C9 (unknown origin)
50040391	1	ChEMBL_856791 (CHEMBL2162909)	Inhibition of human factor 10a assessed as CBS 31.39 substrate hydrolysis by spectrophotometric analysis
50040391	2	ChEMBL_856794 (CHEMBL2162912)	Inhibition of human factor 10a/antithrombin 3 assessed as CBS 31.39 substrate hydrolysis by spectrophotometric analysis
50040392	1	ChEMBL_856957 (CHEMBL2160748)	Binding affinity to modified phosphorylated human BRD4 phosphorylation-dependent interaction domain (598-785) using fluorescein 5-maleimide by fluorescence polarization method
50040393	1	ChEMBL_857173 (CHEMBL2163147)	Inhibition of human LMW-PTPase isoform 1
50040393	2	ChEMBL_857174 (CHEMBL2163148)	Inhibition of human LMW-PTPase isoform 2
50040393	3	ChEMBL_857179 (CHEMBL2163153)	Inhibition of human PTP1B
50040393	4	ChEMBL_857178 (CHEMBL2163152)	Inhibition of bovine kidney LMW-PTPase using phosphotyrosine substrate
50040394	1	ChEMBL_857181 (CHEMBL2163155)	Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization
50040394	2	ChEMBL_857183 (CHEMBL2163157)	Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived mouse macrophages assessed as inhibition of incorporation of bromodeoxyuridine into the DNA after 30 hrs by ELISA
50040394	3	ChEMBL_857198 (CHEMBL2160394)	Inhibition of CYP1A2
50040394	4	ChEMBL_857199 (CHEMBL2160395)	Inhibition of CYP2C9
50040394	5	ChEMBL_857200 (CHEMBL2160396)	Inhibition of CYP2C19
50040394	6	ChEMBL_857201 (CHEMBL2160397)	Inhibition of CYP3A4
50040394	7	ChEMBL_854678 (CHEMBL2161443)	Inhibition of KIT in human Mo7e cells assessed as inhibition of SCF-induced cell proliferation after 72 hrs by CellTiter-Glo assay
50040394	8	ChEMBL_854679 (CHEMBL2161444)	Inhibition of TRKA in human TF1 cells assessed as inhibition of NGF-induced cell proliferation after 72 hrs by CellTiter-Glo assay
50040394	9	ChEMBL_854680 (CHEMBL2161445)	Inhibition of LCK in human Jurkat cells assessed as inhibition of PMA and antiCD3-induced IL2 secretion after 24 hrs by ELISA
50040394	10	ChEMBL_854681 (CHEMBL2161446)	Inhibition of AXL overexpressed in human HEK cells assessed as inhibition of GAS6-induced autophosphorylation by immunoblot assay
50040394	11	ChEMBL_857323 (CHEMBL2160981)	Displacement of [3H]astemizole from human ERG potassium channel
50040394	12	ChEMBL_854667 (CHEMBL2161432)	Inhibition of FMS
50040394	13	ChEMBL_854668 (CHEMBL2161433)	Inhibition of KIT
50040394	14	ChEMBL_854669 (CHEMBL2161434)	Inhibition of AXL
50040394	15	ChEMBL_854670 (CHEMBL2161435)	Inhibition of TRKA
50040394	16	ChEMBL_854671 (CHEMBL2161436)	Inhibition of FLT3
50040394	17	ChEMBL_854672 (CHEMBL2161437)	Inhibition of LCK
50040394	18	ChEMBL_854677 (CHEMBL2161442)	Inhibition of FLT3 in human MV411 cells assessed as inhibition of cell proliferation after 72 hrs by CellTiter-Glo assay
50040395	1	ChEMBL_855008 (CHEMBL2160258)	Inhibition of human recombinant telomerase activity in rabbit reticulocytes after 90 mins by telomerase assemblage gel electrophoresis
50040395	2	ChEMBL_855014 (CHEMBL2160264)	Inhibition of pre-assembled human recombinant telomerase activity in rabbit reticulocytes after 90 mins by gel electrophoresis method based direct primer extension assay
50040396	1	ChEMBL_855309 (CHEMBL2161793)	Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation of cAMP levels incubated for 6 hrs by multiple response element/cAMP response element (MRE/CRE)-driven reporter gene assay
50040396	2	ChEMBL_855307 (CHEMBL2161791)	Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 cells
50040397	1	ChEMBL_855336 (CHEMBL2161942)	Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substrate by ELISA
50040397	2	ChEMBL_855343 (CHEMBL2161949)	Inhibition of IR
50040398	1	ChEMBL_855614 (CHEMBL2160285)	Binding affinity to BIR3 domain of XIAP by fluorescence polarization assay
50040398	2	ChEMBL_855617 (CHEMBL2160288)	Binding affinity to BIR3 domain of cIAP1 by fluorescence polarization assay
50040398	3	ChEMBL_855618 (CHEMBL2160289)	Binding affinity to BIR3 domain of cIAP2 by fluorescence polarization assay
50040398	4	ChEMBL_855619 (CHEMBL2160290)	Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-9 activity using Z-LEHD as substrate preincubated for 15 mins measured after 1 hr by luminescence analysis
50040398	5	ChEMBL_855620 (CHEMBL2160291)	Antagonist activity at XIAP linker BIR2-BIR3 domain assessed as induction of caspase-3 activity using Ac-DEVD-AFC as substrate preincubated for 15 mins measured after 1 hr by luminescence analysis
50040398	6	ChEMBL_855612 (CHEMBL2160283)	Binding affinity to BIR2-BIR3 domain of XIAP by fluorescence polarization assay
50040398	7	ChEMBL_855613 (CHEMBL2160284)	Binding affinity to BIR2 domain of XIAP by fluorescence polarization assay
50040399	1	ChEMBL_855843 (CHEMBL2161357)	Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot
50040399	2	ChEMBL_855842 (CHEMBL2161356)	Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot
50040399	3	ChEMBL_855845 (CHEMBL2161359)	Inhibition of GARFTase in human IGROV1 cells assessed as reduction in [14C]glycine incorporation into [14C]formyl GAR incubated for 15 hrs in complete folate free RPMI medium in presence of 2 nM leucovorin
50040400	1	ChEMBL_855992 (CHEMBL2161993)	Inhibition of SphK2 using sphingosine as substrate and [32gammaP]ATP after 15 to 20 mins by Cerenkov counting analysis
50040400	2	ChEMBL_855991 (CHEMBL2161992)	Inhibition of human recombinant SphK2 using NBD-sphingosine as substrate after 2 hrs by HPLC analysis
50040400	3	ChEMBL_855990 (CHEMBL2161991)	Inhibition of recombinant SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillation counting
50040400	4	ChEMBL_855989 (CHEMBL2161990)	Inhibition of recombinant SphK1 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine as substrate and [32gammaP]ATP by scintillation counting
50040401	1	ChEMBL_856031 (CHEMBL2162148)	Binding affinity to alpha1 adrenoceptor
50040401	2	ChEMBL_856035 (CHEMBL2162152)	Antagonist activity at 5HT2A receptor
50040401	3	ChEMBL_856030 (CHEMBL2162147)	Binding affinity to Sigma1
50040401	4	ChEMBL_856029 (CHEMBL2162146)	Binding affinity to 5HT2B receptor
50040401	5	ChEMBL_855998 (CHEMBL2161999)	Displacement of [3H]-ketanserin from 5HT2A receptor in rat cortical membrane
50040401	6	ChEMBL_855996 (CHEMBL2161997)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampus
50040402	1	ChEMBL_856311 (CHEMBL2160518)	Inhibition of human recombinant MAGL using [3H]-2-OG as substrate after 10 mins by liquid scintillation counter
50040402	2	ChEMBL_856312 (CHEMBL2160519)	Inhibition of human recombinant FAAH assessed as conversion of [3H]AEA to [3H]ethanolamine after 10 mins by liquid scintillation counter
50001302	4	ChEMBL_1714642 (CHEMBL4124691)	Inhibition of CYP1A2 (unknown origin)
50040403	3	ChEMBL_856457 (CHEMBL2161189)	Displacement of [3H]diprenorphine from kappa-opioid receptor expressed in CHOK1 cells after overnight incubation by scintillation proximity assay
50040403	4	ChEMBL_856455 (CHEMBL2161187)	Displacement of [3H]DAMGO from mu-opioid receptor expressed in CHOK1 cells after overnight incubation by scintillation proximity assay
50040404	1	ChEMBL_856643 (CHEMBL2162180)	Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis
50040405	1	ChEMBL_856830 (CHEMBL2163095)	Binding affinity to rat delta opioid receptor
50040405	2	ChEMBL_856831 (CHEMBL2163096)	Binding affinity to rat mu opioid receptor
50040405	4	ChEMBL_856841 (CHEMBL2163106)	Inhibition of CYP3A4 in human liver microsomes
50040405	5	ChEMBL_856842 (CHEMBL2163107)	Binding affinity to human mu opioid receptor
50040405	7	ChEMBL_856836 (CHEMBL2163101)	Binding affinity to guinea pig kappa opioid receptor
50040405	9	ChEMBL_856840 (CHEMBL2163105)	Displacement of [3H]-astemizole from human ERG
50040406	1	ChEMBL_856843 (CHEMBL2163108)	Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition
50040406	2	ChEMBL_856844 (CHEMBL2163109)	Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition
50040407	1	ChEMBL_856879 (CHEMBL2160360)	Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins
50040407	2	ChEMBL_856884 (CHEMBL2160365)	Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins prior to EPO-induction measured after 30 to 45 mins
50040407	3	ChEMBL_856880 (CHEMBL2160361)	Inhibition of JAK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins
50040407	4	ChEMBL_856883 (CHEMBL2160364)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measured after 30 to 45 mins
50040407	5	ChEMBL_856882 (CHEMBL2160363)	Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins
50040407	6	ChEMBL_856881 (CHEMBL2160362)	Inhibition of JAK3 kinase domain using N-terminal 5-carboxyfluorescein-tagged Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins
50040407	7	ChEMBL_857029 (CHEMBL2162415)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measured after 45 mins in presence of human whole blood
50040407	8	ChEMBL_857035 (CHEMBL2162421)	Reversible inhibition of CYP1A2 using phenacetin as substrate
50040407	9	ChEMBL_857034 (CHEMBL2162420)	Reversible inhibition of CYP2C19 using mephenytoin as substrate
50040407	10	ChEMBL_857033 (CHEMBL2162419)	Reversible inhibition of CYP2D6 using dextromethorphan as substrate
50040407	11	ChEMBL_857032 (CHEMBL2162418)	Reversible inhibition of CYP2C9 using warfarin as substrate
50040407	12	ChEMBL_857031 (CHEMBL2162417)	Reversible inhibition of CYP3A4 using midazolam as substrate
50040407	13	ChEMBL_857030 (CHEMBL2162416)	Reversible inhibition of CYP3A4 using testosterone as substrate
50040408	1	ChEMBL_857209 (CHEMBL2160405)	Inhibition of human ERG by patch clamp assay
50040408	2	ChEMBL_857214 (CHEMBL2160410)	Inhibition of Nav1.5 assessed as tonic inhibition by patch clamp assay
50040408	3	ChEMBL_857215 (CHEMBL2160411)	Inhibition of Nav1.5 assessed as phasic inhibition by patch clamp assay
50040408	4	ChEMBL_857216 (CHEMBL2160412)	Inhibition of Kir6.2 by patch clamp assay
50001302	5	ChEMBL_1714643 (CHEMBL4124692)	Inhibition of CYP2D6 (unknown origin)
50040409	2	ChEMBL_857259 (CHEMBL2160604)	Antagonist activity at human GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	3	ChEMBL_857258 (CHEMBL2160603)	Antagonist activity at human GIPR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	4	ChEMBL_857257 (CHEMBL2160602)	Antagonist activity at rhesus monkey GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	5	ChEMBL_857256 (CHEMBL2160601)	Antagonist activity at dog GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	6	ChEMBL_857255 (CHEMBL2160600)	Antagonist activity at mouse GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	7	ChEMBL_857254 (CHEMBL2160599)	Antagonist activity at rat GCGR expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	8	ChEMBL_857253 (CHEMBL2160598)	Antagonist activity at human GLP1R expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	9	ChEMBL_857252 (CHEMBL2160597)	Antagonist activity at human PAC1 expressed in mouse HIN 3T3 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	10	ChEMBL_857262 (CHEMBL2160607)	Antagonist activity at human VPAC1 expressed in HT-29 cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	11	ChEMBL_854483 (CHEMBL2160805)	Antagonist activity at human VPAC2 expressed in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation preincubated for 30 mins prior to glucagon challenge measured after 30 mins post glucagon challenge by liquid scintillation counter
50040409	12	ChEMBL_854484 (CHEMBL2160806)	Binding affinity to human ERG
50040409	13	ChEMBL_854487 (CHEMBL2160809)	Inhibition of human CYP3A4 in liver microsomes assessed as testosterone 6beta-hydroxylation after 48 hrs
50040409	14	ChEMBL_854488 (CHEMBL2160810)	Inhibition of human CYP2D6 in liver microsomes assessed as dextromethorphan O-demethylation after 48 hrs
50040409	15	ChEMBL_854489 (CHEMBL2160811)	Inhibition of human CYP2C8 in liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 48 hrs
50040409	16	ChEMBL_854490 (CHEMBL2160812)	Inhibition of human CYP2C9 in liver microsomes assessed as diclofenac 4'-hydroxylation after 48 hrs
50040409	17	ChEMBL_854491 (CHEMBL2160813)	Inhibition of human CYP1A2 in liver microsomes assessed as phenacetin O-deethylation after 48 hrs
50040409	18	ChEMBL_854492 (CHEMBL2160814)	Inhibition of human CYP2B6 in liver microsomes assessed as bupropion hydroxylation after 48 hrs
50040409	19	ChEMBL_854493 (CHEMBL2160815)	Inhibition of human CYP2E1 in liver microsomes assessed as chlorzoxazone 6beta-hydroxylation after 48 hrs
50001302	6	ChEMBL_1714645 (CHEMBL4124694)	Inhibition of CYP3A4 (unknown origin)
50001292	1	ChEMBL_1714737 (CHEMBL4124786)	Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as substrate after 1.5 to 2 hrs in presence of NADPH by HTRF assay
50001292	2	ChEMBL_1714736 (CHEMBL4124785)	Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticosterone as substrate after 1.5 hrs in presence of NADPH by HTRF assay
50040410	1	ChEMBL_854755 (CHEMBL2161886)	Inhibition of human mitochondrial MetRS aminoacylation activity assessed as reduction in [3H]methionine incorporation into Escherichia coli tRNA pre-incubated for 15 mins before tRNA addition and measured after 120 mins by scintillation counting
50040411	1	ChEMBL_854887 (CHEMBL2162624)	Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation assay
50040412	1	ChEMBL_854897 (CHEMBL2162634)	Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding after 1 to 2 hrs by fluorescence polarization assay
50040412	2	ChEMBL_854896 (CHEMBL2162633)	Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding after 1 to 2 hrs by fluorescence polarization assay
50040413	1	ChEMBL_855080 (CHEMBL2160642)	Inhibition at human recombinant POP
50040413	2	ChEMBL_855078 (CHEMBL2160640)	Inhibition at human recombinant FAPalpha
50040413	3	ChEMBL_855076 (CHEMBL2160638)	Inhibition of POP in intact human HCEC cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	4	ChEMBL_855075 (CHEMBL2160637)	Inhibition of POP in intact human LNZ308 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	5	ChEMBL_855074 (CHEMBL2160636)	Inhibition of POP in intact human LN229 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	6	ChEMBL_855073 (CHEMBL2160635)	Inhibition of POP in intact human LN18 cells using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	7	ChEMBL_855072 (CHEMBL2160634)	Inhibition of POP in human HCEC cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	8	ChEMBL_855071 (CHEMBL2160633)	Inhibition of POP in human LNZ308 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	9	ChEMBL_855070 (CHEMBL2160632)	Inhibition of POP in human LN229 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040413	10	ChEMBL_855069 (CHEMBL2160631)	Inhibition of POP in human LN18 cell extracts using Cbz-Gly-Pro-AMC substrate incubated for 30 mins by fluorimetric assay
50040414	1	ChEMBL_855213 (CHEMBL2161468)	Binding affinity to mu opioid receptor
50040414	2	ChEMBL_855209 (CHEMBL2161464)	Inverse agonist activity at human recombinant mu opioid receptor expressed in CHO cells after 3 hrs by [35S]GTPgammaS binding assay
50040415	1	ChEMBL_855507 (CHEMBL2162663)	Activation of Shh pathway in mouse Shh-Light II cells assessed as induction of gli1 expression after 48 hrs by renilla luminescence assay
50040416	1	ChEMBL_855525 (CHEMBL2162681)	Inhibition of equine serum BuChE using butyrylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval by Ellman method
50040416	2	ChEMBL_855524 (CHEMBL2162680)	Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval by Ellman method
50040417	1	ChEMBL_855698 (CHEMBL2160678)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-aminomethylcoumarin as substrate after 10 mins
50040418	1	ChEMBL_855853 (CHEMBL2161497)	Inhibition of human recombinant MAOB using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50040418	2	ChEMBL_855852 (CHEMBL2161496)	Inhibition of human recombinant MAOA using kynuramine as substrate assessed as formation of 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50040419	3	ChEMBL_855859 (CHEMBL2161503)	Inhibition of human cathepsin D using DAB-CYL-Glu-ArG-Nle-Phe-Leu-Ser-Phe-Pro-EDANS incubated for 20 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
50040419	4	ChEMBL_855858 (CHEMBL2161502)	Inhibition of BACE2
50040420	1	ChEMBL_855886 (CHEMBL2161530)	Antagonist activity at APJ receptor expressed in CHOK1 cells assessed as inhibition of apelin13-induced beta-arrestin recruitment after 90 mins by luminescence assay
50040420	2	ChEMBL_855885 (CHEMBL2161529)	Inhibition of AT1 receptor
50040420	3	ChEMBL_855884 (CHEMBL2161528)	Antagonist activity at APJ receptor assessed as inhibition of apelin13-induced cAMP accumulation
50040421	1	ChEMBL_855887 (CHEMBL2161531)	Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
50040421	2	ChEMBL_855888 (CHEMBL2161532)	Inhibition of human recombinant COX2 expressed in insect cells using arachidonic acid as substrate incubated for 1 min prior to substrate addition measured for 25 secs by TMPD-based chromogenic assay
50040422	1	ChEMBL_855896 (CHEMBL2161659)	Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040422	2	ChEMBL_855904 (CHEMBL2161667)	Inhibition of PI3K p110gamma
50040422	3	ChEMBL_855903 (CHEMBL2161666)	Inhibition of PI3K p110delta
50040422	4	ChEMBL_855897 (CHEMBL2161660)	Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040423	1	ChEMBL_855921 (CHEMBL2161684)	Inhibition of human 11betaHSD1 by HTRF assay
50040423	2	ChEMBL_856054 (CHEMBL2162171)	Inhibition of mouse 11betaHSD1 by HTRF assay
50040423	3	ChEMBL_856068 (CHEMBL2162302)	Inhibition of human ERG by Ionworks assay
50040423	4	ChEMBL_856053 (CHEMBL2162170)	Inhibition of human 11betaHSD2
50040424	1	ChEMBL_856072 (CHEMBL2162306)	Inhibition of sEH using (3-Phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphthalen-2-yl)-methyl ester) as substrate incubated for 15 mins prior to substrate addition measured every min for 15 mins by fluorimetric analysis
50040425	1	ChEMBL_856076 (CHEMBL2162310)	Displacement of [3H]DAMGO from human recombinant mu-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay
50040425	2	ChEMBL_856077 (CHEMBL2162311)	Displacement of [3H]DPDPE from human recombinant kappa-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay
50040426	1	ChEMBL_856080 (CHEMBL2162314)	Inhibition of human BCRP expressed in MDCK2 cells preincubated for 30 mins prior to Hoechst 33342 addition measured every 60 secs up to 120 mins by Hoechst 33342 accumulation assay
50040426	2	ChEMBL_856084 (CHEMBL2162318)	Inhibition of human MRP1 expressed in 2008 cells preincubated for 30 mins prior to calcein AM addition measured every 60 secs up to 90 mins by calcein AM accumulation assay
50040427	1	ChEMBL_856089 (CHEMBL2162323)	Inhibition of human ERG expressed in HEK293 cells by voltage-clamp method
50040427	2	ChEMBL_856088 (CHEMBL2162322)	Displacement of [3H]-dofetilide from human ERG
50040427	3	ChEMBL_856085 (CHEMBL2162319)	Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay
50040428	1	ChEMBL_856119 (CHEMBL2162507)	Agonist activity at dopamine D3 receptor in human U2OS-D3 cells assessed as EA-tagged beta-arrestin translocation after 1.5 hrs by luminescence based beta-galactosidase assay
50040428	2	ChEMBL_856122 (CHEMBL2162510)	Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK293 cells after 30 mins by scintillation counting
50040428	3	ChEMBL_856120 (CHEMBL2162508)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cells after 30 mins by scintillation counting
50040428	4	ChEMBL_856121 (CHEMBL2162509)	Displacement of [3H]-N-methylspiperone from human dopamine D2long receptor expressed in HEK293 cells after 30 mins by scintillation counting
50040429	1	ChEMBL_856318 (CHEMBL2160525)	Inhibition of telomerase in human HepG2 cells after 24 hrs by TRAP-PCR-ELISA assay
50040430	1	ChEMBL_856337 (CHEMBL2160544)	Inhibition of HDAC1 by fluorimetric assay in presence of DTT
50040430	2	ChEMBL_856336 (CHEMBL2160543)	Inhibition of HDAC1 by fluorimetric assay
50040430	3	ChEMBL_856341 (CHEMBL2160548)	Inhibition of HDAC6 by fluorimetric assay in presence of DTT
50040430	4	ChEMBL_856340 (CHEMBL2160547)	Inhibition of HDAC6 by fluorimetric assay
50040430	5	ChEMBL_856339 (CHEMBL2160546)	Inhibition of HDAC4 by fluorimetric assay in presence of DTT
50040430	6	ChEMBL_856338 (CHEMBL2160545)	Inhibition of HDAC4 by fluorimetric assay
50040431	1	ChEMBL_856354 (CHEMBL2160709)	Inhibition of telomerase-mediated primer elongation by gel electrophoresis-based TRAP assay
50040432	1	ChEMBL_856368 (CHEMBL2160723)	Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs by TopCount analysis
50040432	2	ChEMBL_856496 (CHEMBL2161542)	Antagonist activity at CCR3 in human eosinophils assessed as inhibition of CCL24-induced morphological changes by FACS flow cytometric analysis
50040432	3	ChEMBL_856371 (CHEMBL2160726)	Binding affinity to human ERG by ion flux assay
50040432	4	ChEMBL_856370 (CHEMBL2160725)	Binding affinity to histamine H1 receptor
50040432	5	ChEMBL_856369 (CHEMBL2160724)	Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay
50040433	1	ChEMBL_856497 (CHEMBL2161543)	Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay
50040433	2	ChEMBL_856498 (CHEMBL2161544)	Inhibition of mTOR
50040433	3	ChEMBL_856503 (CHEMBL2161549)	Inhibition of GSK3beta
50040433	4	ChEMBL_856502 (CHEMBL2161548)	Inhibition of GSK3alpha
50040433	6	ChEMBL_856504 (CHEMBL2161550)	Inhibition of PI3Kalpha using diC8-tagged PIP2 as substrate after 30 to 60 mins by TAMRA-based fluorescence polarization assay
50040433	7	ChEMBL_856505 (CHEMBL2161551)	Inhibition of PI3Kgamma using diC8-tagged PIP2 as substrate after 30 to 60 mins by TAMRA-based fluorescence polarization assay
50040433	8	ChEMBL_856501 (CHEMBL2161547)	Inhibition of CDK2
50001299	1	ChEMBL_1714751 (CHEMBL4124800)	Agonist activity at human GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50001299	2	ChEMBL_1714752 (CHEMBL4124801)	Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50001299	3	ChEMBL_1714761 (CHEMBL4124810)	Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50001299	4	ChEMBL_1714753 (CHEMBL4124802)	Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay
50040434	1	ChEMBL_856515 (CHEMBL2161561)	Displacement of [3H]-citalopram from SERT in rat cortical membranes after 60 mins
50040434	2	ChEMBL_856513 (CHEMBL2161559)	Displacement of [3H]-WIN35428 from DAT in rat striatal membranes after 90 mins
50040435	2	ChEMBL_856679 (CHEMBL2162350)	Agonist activity at MOP receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins
50001299	5	ChEMBL_1714756 (CHEMBL4124805)	Displacement of [125I]GLP-1 from human GLP1R expressed in HEK293 cell membranes after 180 mins by microbeta counting method
50040435	3	ChEMBL_856678 (CHEMBL2162349)	Displacement of [3H]DAMGO from MOP receptor expressed in CHO-K1 cells after overnight incubation by beta counting method
50040436	1	ChEMBL_856685 (CHEMBL2162356)	Transactivation of human PPARgamma expressed in human HEK293 cells after 16 to 20 hrs by dual luciferase beta-galactosidase reporter gene assay
50040436	2	ChEMBL_856684 (CHEMBL2162355)	Transactivation of human PPARdelta expressed in human HEK293 cells after 16 to 20 hrs by dual luciferase beta-galactosidase reporter gene assay
50040436	3	ChEMBL_856683 (CHEMBL2162354)	Transactivation of human PPARalpha expressed in human HEK293 cells after 16 to 20 hrs by dual luciferase beta-galactosidase reporter gene assay
50040437	1	ChEMBL_856703 (CHEMBL2162374)	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins
50040438	1	ChEMBL_856715 (CHEMBL2162541)	Inhibition of VEGFR2 using gastrin as substrate after 60 mins by immunofluorescence method
50040438	2	ChEMBL_856714 (CHEMBL2162540)	Inhibition of human recombinant Aurora A kinase using PLK as substrate incubated for 15 mins prior to substrate addition measured after 60 mins by immunofluorescence method
50040438	3	ChEMBL_856712 (CHEMBL2162538)	Inhibition of HER2
50040438	4	ChEMBL_856711 (CHEMBL2162537)	Inhibition of EGFR
50040439	1	ChEMBL_856722 (CHEMBL2162548)	Displacement of [125I]PYY from mouse NPY Y5 receptor
50040440	1	ChEMBL_856733 (CHEMBL2162559)	Inhibition of DPP4
50040440	2	ChEMBL_856734 (CHEMBL2162560)	Inhibition of DPP8
50040441	1	ChEMBL_856936 (CHEMBL2160579)	Inhibition of human matriptase-2 expressed in HEK-MT2 cells using fluorogenic Boc- Gln-Ala-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry
50040441	2	ChEMBL_856937 (CHEMBL2160580)	Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry
50040442	1	ChEMBL_856943 (CHEMBL2160586)	Binding affinity to human thymus flag-tagged full-length FANCF expressed in HEK293T cells assessed as dissociation constant by surface plasmon resonance assay
50040443	1	ChEMBL_856948 (CHEMBL2160739)	Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method
50040444	1	ChEMBL_857101 (CHEMBL2162775)	Antagonist activity at OX1 receptor expressed in RD-HGA16 cells assessed as inhibition of orexin A-induced intracellular calcium mobilization after 15 mins by FLIPR assay
50040445	1	ChEMBL_857113 (CHEMBL2162787)	Transactivation of GAL4-fused PPARbeta (delta) ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50040445	2	ChEMBL_857112 (CHEMBL2162786)	Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50040445	3	ChEMBL_857111 (CHEMBL2162785)	Transactivation of GAL4-fused PPARalpha ligand binding domain transfected in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50040446	1	ChEMBL_857274 (CHEMBL2160769)	Inhibition of rat small intestinal isomaltase after 30 mins by glucose-oxidase method
50040446	2	ChEMBL_857275 (CHEMBL2160770)	Inhibition of rat small intestinal sucrase after 30 mins by glucose-oxidase method
50040446	3	ChEMBL_857276 (CHEMBL2160771)	Inhibition of rat small intestinal maltase after 30 mins by glucose-oxidase method
50040447	1	ChEMBL_857279 (CHEMBL2160774)	Inhibition of GnRH receptor
50040447	2	ChEMBL_857280 (CHEMBL2160775)	Inhibition of CCR3 receptor
50040448	1	ChEMBL_854554 (CHEMBL2161049)	Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting
50040448	2	ChEMBL_854555 (CHEMBL2161050)	Inhibition of human MAGL assessed as [3H]-2-OG hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting
50040448	3	ChEMBL_857316 (CHEMBL2160974)	Irreversible inhibition of human MAGL using p-nitrophenylpropionate as substrate
50040448	4	ChEMBL_857320 (CHEMBL2160978)	Inhibition of FAAH
50040448	5	ChEMBL_857321 (CHEMBL2160979)	Inhibition of MAGL
50040449	1	ChEMBL_854592 (CHEMBL2161253)	Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 1 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
50040449	2	ChEMBL_854597 (CHEMBL2161258)	Antagonist activity at mouse Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
50040449	3	ChEMBL_854596 (CHEMBL2161257)	Antagonist activity at human Smo expressed in CHO cells assessed as inhibition of BODIPY-cyclopamine binding after 4 hrs by fluorescence assay
50040449	4	ChEMBL_854593 (CHEMBL2161254)	Antagonist activity at Smo in mouse TM3 cells expressing Hh12 assessed as inhibition of 25 nM Ag1.5-induced Gli expression incubated for 30 mins prior to Ag1.5-induction measured after 48 hrs by luciferase reporter gene assay
50040450	1	ChEMBL_854770 (CHEMBL2161901)	Inhibition of human recombinant P110alpha/p85alpha using phosphatidyl inositol as substrate after 1 hr by ADP-Glo Kinase assay
50040451	1	ChEMBL_854780 (CHEMBL2161911)	Agonist activity at FXR
50040451	2	ChEMBL_854778 (CHEMBL2161909)	Agonist activity at FXRalpha expressed in HEK293 cells assessed as increase in transcriptional activity after 18 hrs by luciferase reporter gene assay
50040451	3	ChEMBL_854777 (CHEMBL2161908)	Antagonist activity at GST-tagged FXRalpha ligand binding domain assessed as inhibition of CDCA-induced biotinylated SRC1 binding after 30 mins by HTRF assay
50040451	4	ChEMBL_854776 (CHEMBL2161907)	Agonist activity at GST-tagged FXRalpha ligand binding domain assessed as biotinylated SRC1 binding after 30 mins by HTRF assay
50040452	1	ChEMBL_854783 (CHEMBL2161914)	Inhibition of COX-2-induced PGE2 production in LPS-stimulated mouse Raw 264.7 cells preincubated for 1 hr before LPS challenge measured after 24 hrs by ELISA
50040453	1	ChEMBL_854804 (CHEMBL2162049)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol after 2 hrs by scintillation counting
50040453	2	ChEMBL_854796 (CHEMBL2161927)	Inhibition of human CYP3A4 using 7-benzyloxyquinoline as substrate
50040453	3	ChEMBL_854798 (CHEMBL2162043)	Inhibition of human CYP3A4 using 7-benzyloxy-4-(trifluoromethyl) coumarin as substrate
50040453	4	ChEMBL_854797 (CHEMBL2161928)	Inhibition of human CYP2D6
50040453	5	ChEMBL_854800 (CHEMBL2162045)	Inhibition of human CYP2C19
50040453	6	ChEMBL_854799 (CHEMBL2162044)	Inhibition of human CYP2C9
50040453	7	ChEMBL_854801 (CHEMBL2162046)	Inhibition of human CYP1A2
50040454	1	ChEMBL_854807 (CHEMBL2162052)	Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotometric based coupled assay
50040454	2	ChEMBL_854810 (CHEMBL2162055)	Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50040454	3	ChEMBL_854808 (CHEMBL2162053)	Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysis
50040454	4	ChEMBL_854809 (CHEMBL2162054)	Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis
50040455	2	ChEMBL_854818 (CHEMBL2162063)	Inhibition of human recombinant BChE using acetylthiocholine as substrate
50040455	3	ChEMBL_854817 (CHEMBL2162062)	Inhibition of human recombinant AChE using acetylthiocholine as substrate
50040456	1	ChEMBL_854924 (CHEMBL2162808)	Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherichia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate incubated for 10 mins prior to substrate addition measured after 45 mins by SDS-PAGE analysis
50040457	1	ChEMBL_854927 (CHEMBL2162811)	Antagonist activity at CCR3 receptor in human eosinophils assessed as inhibition of CCL11-induced degranulation after 4 hrs by ELISA
50040457	2	ChEMBL_854925 (CHEMBL2162809)	Antagonist activity at CCR3 receptor
50040458	1	ChEMBL_854941 (CHEMBL2162825)	Inhibition of human Hex A using 4-MU-GlcNAc as substrate after 10 mins by Lineweaver Burk plot analysis
50040458	2	ChEMBL_854940 (CHEMBL2162824)	Competitive inhibition of human OGA using 4-MU-GlcNAc as substrate after 10 mins by Lineweaver Burk plot analysis
50040458	3	ChEMBL_854938 (CHEMBL2162822)	Inhibition of human OGA using 4-MU-GlcNAc as substrate after 30 mins by Dixon plot analysis
50040459	1	ChEMBL_854967 (CHEMBL2162991)	Inhibition of COX-1 by chemiluminescent assay
50040459	2	ChEMBL_854964 (CHEMBL2162988)	Inhibition of COX-2 by chemiluminescent assay
50040460	1	ChEMBL_855116 (CHEMBL2160874)	Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-induced intracellular cAMP production preincubated for 30 mins before CRF addition measured after 30 mins by enzyme immunoassay
50040460	2	ChEMBL_855115 (CHEMBL2160873)	Displacement of [125I]-CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting
50040461	1	ChEMBL_856136 (CHEMBL2162524)	Inhibition of rat SGLT1 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake
50040461	2	ChEMBL_856137 (CHEMBL2162525)	Inhibition of rat SGLT2 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake
50040461	3	ChEMBL_856134 (CHEMBL2162522)	Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake
50040461	4	ChEMBL_856133 (CHEMBL2162521)	Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction of [14C]-AMG uptake
50040462	1	ChEMBL_856177 (CHEMBL2162713)	Binding affinity to wild type Smo expressed in U2OS cells by scintillation counting
50040462	2	ChEMBL_856172 (CHEMBL2162708)	Antagonist activity at Smo in mouse Shh-Light 2 cells assessed as inhibition of Shh-induced Gli1-reporter activity after 2 days by dual-luciferase reporter gene method
50040462	3	ChEMBL_856169 (CHEMBL2162705)	Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting
50040463	1	ChEMBL_856761 (CHEMBL2162729)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins
50040463	2	ChEMBL_856764 (CHEMBL2162732)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins
50040463	3	ChEMBL_856750 (CHEMBL2162576)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method
50040463	4	ChEMBL_856751 (CHEMBL2162577)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method
50040464	1	ChEMBL_857678 (CHEMBL2168514)	Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV gp120 expressed in CHO-tat cells expressing HIV-1 JRFLenv and HIV-1 Tat by beta-galactosidase activity based cell-cell fusion assay
50040464	2	ChEMBL_857606 (CHEMBL2168044)	Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay
50040465	1	ChEMBL_857725 (CHEMBL2168752)	Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay
50040465	2	ChEMBL_857728 (CHEMBL2168755)	Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting
50040465	3	ChEMBL_857730 (CHEMBL2168757)	Activation of PXR
50040465	4	ChEMBL_857727 (CHEMBL2168754)	Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay
50040466	1	ChEMBL_857858 (CHEMBL2169491)	Inhibition of human FAAH
50040466	2	ChEMBL_857738 (CHEMBL2168765)	Inhibition of FAAH2
50040466	3	ChEMBL_857855 (CHEMBL2169488)	Inhibition of rat FAAH
50040466	4	ChEMBL_857857 (CHEMBL2169490)	Inhibition of rat FAAH after 1 hr
50040466	5	ChEMBL_857860 (CHEMBL2169493)	Inhibition of human FAAH after 1 hr
50040467	1	ChEMBL_857866 (CHEMBL2169499)	Displacement of [3H]PGE2 from human EP4R expressed in chem1 cells after 2hrs by beta counting
50040467	2	ChEMBL_857865 (CHEMBL2169498)	Displacement of [3H]PGE2 from human EP2R expressed in chem1 cells after 2hrs by beta counting
50040467	3	ChEMBL_857864 (CHEMBL2169497)	Displacement of [3H]PGE2 from human EP1R expressed in chem1 cells after 2hrs by beta counting
50040467	4	ChEMBL_857863 (CHEMBL2169496)	Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting
50040468	1	ChEMBL_857652 (CHEMBL2168279)	Inhibition of Electrophorus electricus C2888 AChE using acetylthiocholine iodide as substrate by Ellman's spectroscopic method
50040469	1	ChEMBL_857772 (CHEMBL2169015)	Inhibition of phospholipase A2
50040469	2	ChEMBL_857771 (CHEMBL2169014)	Inhibition of DNA polymerase beta
50040469	3	ChEMBL_857752 (CHEMBL2168779)	Inhibition of N-terminal 6His-tagged human AKR1B10 overexpressed in human HeLa cells assessed as inhibition of [1-14C]farnesol reduction pretreated for 2 hrs before [1-14C]farnesol challenge measured after 6 hrs
50040469	4	ChEMBL_857753 (CHEMBL2168780)	Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction
50040469	5	ChEMBL_857756 (CHEMBL2168783)	Competitive inhibition of dehydrogenase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as NADP+-linked geraniol oxidation
50040469	6	ChEMBL_857754 (CHEMBL2168781)	Inhibition of reductase activity of N-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3) assessed as assessed as pyridine-3-aldehyde reduction
50040470	1	ChEMBL_857785 (CHEMBL2169028)	Inhibition of human ACC1 using acetyl coA as substrate and [14C]NaHCO3 incubated for 5 mins prior to substrate addition by liquid scintillation counting
50040470	2	ChEMBL_857783 (CHEMBL2169026)	Inhibition of human recombinant FASN thioesterase domain
50040470	3	ChEMBL_857779 (CHEMBL2169022)	Antagonist activity at human recombinant FASN thioesterase domain by fluorogenic assay
50040470	4	ChEMBL_857778 (CHEMBL2169021)	Reversible inhibition of human recombinant FASN ketoreductase site
50040470	5	ChEMBL_857795 (CHEMBL2169038)	Inhibition of FASN in human SKBR3 cells
50040470	6	ChEMBL_857807 (CHEMBL2169240)	Inhibition of chicken liver FASN after 3 hrs
50040470	7	ChEMBL_857805 (CHEMBL2169238)	Inhibition of chicken liver FASN ketoreductase activity
50040470	8	ChEMBL_857804 (CHEMBL2169047)	Inhibition of chicken liver FASN
50040470	9	ChEMBL_857803 (CHEMBL2169046)	Antagonist activity at recombinant FASN thioesterase domain by fluorogenic assay
50040470	10	ChEMBL_857802 (CHEMBL2169045)	Inhibition of FASN in human HepG2 cells
50040470	11	ChEMBL_857801 (CHEMBL2169044)	Inhibition of FASN in rat liver
50040470	12	ChEMBL_857799 (CHEMBL2169042)	Inhibition of FASN in human A375 cells
50040470	13	ChEMBL_857775 (CHEMBL2169018)	Inhibition of human ACC2 using acetyl coA as substrate and [14C]NaHCO3 incubated for 5 mins prior to substrate addition by liquid scintillation counting
50040470	14	ChEMBL_857796 (CHEMBL2169039)	Inhibition of rat liver ACLY by fluorimetric analysis
50040470	15	ChEMBL_857774 (CHEMBL2169017)	Competitive inhibition of rat liver ACLY using CoA as substrate by spectrophotometric analysis
50040470	16	ChEMBL_857794 (CHEMBL2169037)	Competitive inhibition of rat liver ACLY using ATP as substrate by spectrophotometric analysis
50040470	17	ChEMBL_857793 (CHEMBL2169036)	Competitive inhibition of rat liver ACLY using citrate as substrate by spectrophotometric analysis
50040470	18	ChEMBL_857792 (CHEMBL2169035)	Inhibition of human recombinant ACLY
50040470	19	ChEMBL_857791 (CHEMBL2169034)	Inhibition of rat liver ACLY
50040471	1	ChEMBL_857457 (CHEMBL2166950)	Binding affinity to rat alpha7 nACHR at 10 uM
50040472	1	ChEMBL_858104 (CHEMBL2167216)	Inhibition of CYP3A4 using midazolam as substrate
50040472	2	ChEMBL_858103 (CHEMBL2167215)	Inhibition of CYP3A4 using testosterone as substrate
50040472	3	ChEMBL_858102 (CHEMBL2167214)	Inhibition of CYP2D6
50040472	4	ChEMBL_858101 (CHEMBL2167213)	Inhibition of CYP2C19
50040472	5	ChEMBL_858100 (CHEMBL2167212)	Inhibition of CYP2C9
50040472	6	ChEMBL_858099 (CHEMBL2167211)	Inhibition of CYP1A2
50040473	1	ChEMBL_858381 (CHEMBL2168596)	Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion
50040473	2	ChEMBL_858378 (CHEMBL2168593)	Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometric analysis
50040473	3	ChEMBL_858615 (CHEMBL2166289)	Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence microscopic analysis
50040474	1	ChEMBL_858644 (CHEMBL2166526)	Agonist activity at H2R in spontaneously beating guinea pig right atrium assessed as increase in heart rate
50040474	2	ChEMBL_858640 (CHEMBL2166522)	Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay
50040474	3	ChEMBL_858635 (CHEMBL2166517)	Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM by steady state GTPase activity assay
50040474	4	ChEMBL_858650 (CHEMBL2166532)	Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM by steady state GTPase activity assay
50040474	5	ChEMBL_858637 (CHEMBL2166519)	Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay
50040475	1	ChEMBL_858813 (CHEMBL2167688)	Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production
50040475	2	ChEMBL_858812 (CHEMBL2167687)	Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production
50040476	1	ChEMBL_858978 (CHEMBL2168600)	Inhibition of human ERG by manual patch clamp assay
50040476	2	ChEMBL_859006 (CHEMBL2168628)	Inhibition of human DGAT1 expressed in human HeLa cells assessed as reduction in triglyceride synthesis
50040476	3	ChEMBL_859007 (CHEMBL2168629)	Inhibition of human recombinant DGAT2 expressed in insect cell membrane using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay
50040476	4	ChEMBL_859008 (CHEMBL2168630)	Inhibition of mouse DGAT1 using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay
50040476	5	ChEMBL_859010 (CHEMBL2168632)	Inhibition of N-terminal His6-tagged human recombinant DGAT1 expressed in insect cell membrane using [1-14C]decanoyl-CoA substrate by phospholipid flash plate assay
50040477	1	ChEMBL_859035 (CHEMBL2168855)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch clamp assay
50040477	2	ChEMBL_859155 (CHEMBL2169571)	Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by radiometric method
50040477	3	ChEMBL_859157 (CHEMBL2169573)	Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by radiometric method
50040477	4	ChEMBL_859158 (CHEMBL2169574)	Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by radiometric method
50040478	1	ChEMBL_859392 (CHEMBL2167298)	Inhibition of mPGES1 in LPS-stimulated human whole blood assessed as reduction in PGE2 production incubated for 24 hrs at 37 degC by enzyme immunoassay
50040478	2	ChEMBL_859393 (CHEMBL2167299)	Inhibition of mPGES1 expressed in Escherichia coli Rosetta-DE3 assessed as reduction in PGE2 production by enzyme immunoassay based cell-free system assay
50040478	3	ChEMBL_859396 (CHEMBL2167302)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotometry based cell free system assay
50040478	4	ChEMBL_859391 (CHEMBL2167297)	Inhibition of 5-LOX in rat RBL1 cells assessed as reduction in LTB4 production
50040478	5	ChEMBL_859395 (CHEMBL2167301)	Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 addition by enzyme immunoassay
50040478	6	ChEMBL_859397 (CHEMBL2167303)	Inhibition of 5-LOX in stimulated leukocytes
50001301	1	ChEMBL_1714794 (CHEMBL4124843)	Antagonist activity at human A2A adenosine receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP level after 30 mins by Alphascreen assay
50001301	2	ChEMBL_1714790 (CHEMBL4124839)	Antagonist activity at human A1 adenosine receptor expressed in CHO cells assessed as inhibition of CCPA-induced reduction of forskolin-stimulated cAMP level after 30 mins by Alphascreen assay
50001301	3	ChEMBL_1714792 (CHEMBL4124841)	Inverse agonist activity at human A2A adenosine receptor expressed in CHO cells assessed as inhibition of basal cAMP level after 30 mins by Alphascreen assay
50001301	4	ChEMBL_1714784 (CHEMBL4124833)	Displacement of [3H]-DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 90 mins by scintillation counting method
50001301	5	ChEMBL_1714787 (CHEMBL4124836)	Antagonist activity at human A2B adenosine receptor assessed as inhibition of NECA-stimulated cAMP level after 30 mins by Alphascreen assay
50001301	6	ChEMBL_1714785 (CHEMBL4124834)	Displacement of [3H]-ZM 241,385 from human A2A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50001301	7	ChEMBL_1714786 (CHEMBL4124835)	Displacement of [125I]-ABMECA from human A3 adenosine receptor expressed in CHO cell membranes after 90 mins by scintillation counting method
50040479	5	ChEMBL_859403 (CHEMBL2167309)	Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay
50040480	1	ChEMBL_859760 (CHEMBL2169400)	Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay
50040481	1	ChEMBL_859942 (CHEMBL2167345)	Inhibition of human CYP3A4 using testosterone as substrate after 45 mins
50040481	2	ChEMBL_859946 (CHEMBL2167349)	Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay
50040481	3	ChEMBL_859947 (CHEMBL2167350)	Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis
50040482	1	ChEMBL_860086 (CHEMBL2168212)	Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition at pH 7.0 Lineweaver-Burk plot assay
50040482	2	ChEMBL_860090 (CHEMBL2168216)	Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition by Dixon plot assay
50040482	3	ChEMBL_860089 (CHEMBL2168215)	Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition by Lineweaver-Burk plot assay
50040482	4	ChEMBL_860087 (CHEMBL2168213)	Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition at pH 5.2 by Dixon plot assay
50040482	5	ChEMBL_860085 (CHEMBL2168211)	Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition at pH 5.2 by Lineweaver-Burk plot assay
50040482	6	ChEMBL_860088 (CHEMBL2168214)	Competitive inhibition of recombinant Imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate addition at pH 7.0 by Dixon plot assay
50040482	7	ChEMBL_860084 (CHEMBL2168210)	Inhibition of lysosomal beta-glucosidase in human fibroblast using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 24 hrs before substrate addition measured after 2 hrs by fluorometry
50040483	1	ChEMBL_860118 (CHEMBL2168444)	Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging
50040484	1	ChEMBL_860287 (CHEMBL2169433)	Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillation counting
50040484	2	ChEMBL_860286 (CHEMBL2169432)	Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting
50040484	3	ChEMBL_860288 (CHEMBL2169434)	Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation counting
50040484	4	ChEMBL_860273 (CHEMBL2169419)	Inhibition of human MRP2
50040484	5	ChEMBL_860272 (CHEMBL2169418)	Inhibition of human BCRP
50040484	6	ChEMBL_860289 (CHEMBL2169435)	Inhibition of human MDR1
50040485	1	ChEMBL_860331 (CHEMBL2169664)	Inhibition of recombinant GST-tagged mTOR-mediated 4EBP1 phosphorylation after 90 mins by FRET assay
50040485	2	ChEMBL_860485 (CHEMBL2166654)	Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay
50040485	3	ChEMBL_860486 (CHEMBL2166655)	Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay
50040485	4	ChEMBL_860487 (CHEMBL2166656)	Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay
50040485	5	ChEMBL_860488 (CHEMBL2166657)	Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay
50040485	6	ChEMBL_860324 (CHEMBL2169657)	Inhibition of human VPS34 after 30 mins by fluorescence-based immunoassay
50040485	8	ChEMBL_860322 (CHEMBL2169655)	Inhibition of PI4beta
50040485	9	ChEMBL_860323 (CHEMBL2169656)	Inhibition of PI4alpha
50040485	10	ChEMBL_860325 (CHEMBL2169658)	Inhibition of PIK3C2beta
50040485	11	ChEMBL_860326 (CHEMBL2169659)	Inhibition of PIK3C2alpha
50040486	1	ChEMBL_860496 (CHEMBL2166863)	Inhibition of SIRT5
50040487	1	ChEMBL_860672 (CHEMBL2167812)	Binding affinity to PI3Kdelta after 30 mins by competitive fluorescence polarization assay
50040487	2	ChEMBL_860549 (CHEMBL2167123)	Time dependent inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins
50040487	3	ChEMBL_860541 (CHEMBL2167115)	Inhibition of human PI3Kdelta-mediated AKT phosphorylation at S473 in Ri-1 cells after 30 mins by electrochemiluminescence assay in presence of human serum albumin and alpha1 acid glycoprotein
50040488	1	ChEMBL_860682 (CHEMBL2167999)	Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis
50040488	2	ChEMBL_860683 (CHEMBL2168000)	Displacement of [125I]IABN from human D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis
50040489	1	ChEMBL_860698 (CHEMBL2168015)	Inhibition of CETP-mediated [3H]cholesteryl ester transfer activity in human plasma after 2.5 hrs by scintillation counter
50040489	2	ChEMBL_860684 (CHEMBL2168001)	Inhibition of human recombinant CETP-mediated [3H]cholesteryl ester transfer from HDL to biotinylated LDL by scintillation proximity assay
50040490	1	ChEMBL_858207 (CHEMBL2167670)	Antagonist activity at histamine H1 receptor
50040490	2	ChEMBL_858208 (CHEMBL2167671)	Antagonist activity at 5HT2A receptor
50040490	3	ChEMBL_858210 (CHEMBL2167673)	Inhibition of FLT1
50040490	4	ChEMBL_858209 (CHEMBL2167672)	Inhibition of c-Kit
50040490	5	ChEMBL_858211 (CHEMBL2167674)	Inhibition of VEGFR3
50040490	6	ChEMBL_858226 (CHEMBL2167853)	Inhibition of VEGFR2
50040490	7	ChEMBL_858225 (CHEMBL2167852)	Inhibition of PDGFRbeta
50040490	8	ChEMBL_858224 (CHEMBL2167851)	Inhibition of RAF
50040490	9	ChEMBL_858216 (CHEMBL2167679)	Displacement of [3H]LSD from 5HT7 receptor after 1.5 hrs by scintillation counter
50040490	10	ChEMBL_858217 (CHEMBL2167680)	Displacement of [3H]LSD from 5HT6 receptor after 1.5 hrs by scintillation counter
50040490	11	ChEMBL_858218 (CHEMBL2167681)	Displacement of [3H]LSD from 5HT5A receptor after 1.5 hrs by scintillation counter
50040490	12	ChEMBL_858219 (CHEMBL2167682)	Displacement of [3H]LSD from 5HT2C receptor after 1.5 hrs by scintillation counter
50040490	13	ChEMBL_858220 (CHEMBL2167683)	Displacement of [3H]LSD from 5HT2B receptor after 1.5 hrs by scintillation counter
50040490	14	ChEMBL_858221 (CHEMBL2167684)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor after 1.5 hrs by scintillation counter
50040490	15	ChEMBL_858223 (CHEMBL2167850)	Displacement of [3H]Ketanserin from 5HT2A receptor after 1.5 hrs by scintillation counter
50040491	1	ChEMBL_858229 (CHEMBL2167856)	Inhibition of UT-B-mediated urea transport in wild type CD1 mouse erythrocytes incubated for 10 mins prior to urea addition by Stopped-flow light scattering assay
50040491	2	ChEMBL_858231 (CHEMBL2167858)	Reversible inhibition of mouse UT-B-mediated urea transport
50040491	3	ChEMBL_858438 (CHEMBL2168840)	Inhibition of UT-B in wild type CD1 mouse erythrocyte assessed as hemolysis after 10 mins
50040492	1	ChEMBL_858841 (CHEMBL2167716)	Agonist activity at human NPFF2 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation counting
50040492	2	ChEMBL_858845 (CHEMBL2167891)	Agonist activity at human NPFF1 receptor expressed in COS1 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation counting
50040492	3	ChEMBL_858836 (CHEMBL2167711)	Competitive antagonist activity at human NPFF1 receptor expressed in COS1 cells assessed as inhibition of NPVF-induced [3H]inositol phosphate accumulation after 2 hrs by liquid scintillation counting
50040493	1	ChEMBL_858883 (CHEMBL2167929)	Displacement of [125I]ghrelin expressed in in LLC-PK1 cells incubated for 1 hr by gamma counting method
50040493	2	ChEMBL_858884 (CHEMBL2167930)	Displacement of photoactivatable [125I]-Tyr-Bpa-Ala-Hexarelin from CD36 in Sprague-Dawley rat cardiac membranes incubated for 60 mins by densitometry
50040495	2	ChEMBL_859250 (CHEMBL2166335)	Agonist activity at delta opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50040495	3	ChEMBL_859254 (CHEMBL2166339)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50001304	1	ChEMBL_1714831 (CHEMBL4124880)	Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-14C]choline into phosphocholine preincubated for 5 mins followed by substrate addition measured after 10 mins by scintillation counting
50001304	2	ChEMBL_1714829 (CHEMBL4124878)	Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formation
50040495	5	ChEMBL_859251 (CHEMBL2166336)	Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter
50001306	1	ChEMBL_1715048 (CHEMBL4125097)	Inhibition of human erythrocyte CuZn-SOD by UV-Visible spectrophotometric method
50001306	2	ChEMBL_1715047 (CHEMBL4125096)	Inhibition of Trypanosoma cruzi MHOM/Pe/2011/Arequipa DTU 5 epimastigotes Fe-SOD by UV-Visible spectrophotometric method
50040496	1	ChEMBL_859281 (CHEMBL2166569)	Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization in presence of 0.05% BSA
50040496	2	ChEMBL_859283 (CHEMBL2166571)	Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization
50040496	3	ChEMBL_859278 (CHEMBL2166566)	Agonist activity at human GPR40 expressed in Flp-InTM T-RexTM HEK293 cells assessed as stimulation of calcium mobilization in presence of 0.1% BSA by FLIPR
50040496	4	ChEMBL_859279 (CHEMBL2166567)	Agonist activity at GPR120 assessed as stimulation of calcium mobilization
50040496	5	ChEMBL_859272 (CHEMBL2166560)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as receptor activation in presence of 30 uM FFA1 antagonist TUG-761 by dynamic mass redistribution assay
50040496	6	ChEMBL_859273 (CHEMBL2166561)	Agonist activity at GPR40 in rat INS-1E cells assessed as receptor activation by dynamic mass redistribution assay
50040496	7	ChEMBL_859275 (CHEMBL2166563)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as receptor activation by dynamic mass redistribution assay
50040497	1	ChEMBL_859421 (CHEMBL2167327)	Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl lysine peptide substrate by enzyme kinetic assay
50040497	2	ChEMBL_859422 (CHEMBL2167328)	Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay
50040497	3	ChEMBL_859435 (CHEMBL2167513)	Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay
50040497	4	ChEMBL_859436 (CHEMBL2167514)	Inhibition of human BBOX1 by fluorescence based assay
50040497	5	ChEMBL_859438 (CHEMBL2167516)	Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay
50040497	6	ChEMBL_859437 (CHEMBL2167515)	Inhibition of human FIH expressed in Escherichia coli by MALDI assay
50040497	7	ChEMBL_859439 (CHEMBL2167517)	Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay
50040497	8	ChEMBL_859440 (CHEMBL2167518)	Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay
50040497	9	ChEMBL_859441 (CHEMBL2167519)	Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay
50040497	10	ChEMBL_859445 (CHEMBL2167523)	Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay
50040497	11	ChEMBL_859444 (CHEMBL2167522)	Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay
50040497	12	ChEMBL_859443 (CHEMBL2167521)	Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay
50040498	1	ChEMBL_859457 (CHEMBL2167535)	Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate
50040499	1	ChEMBL_859458 (CHEMBL2167536)	Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins
50040499	2	ChEMBL_859459 (CHEMBL2167537)	Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins
50040499	3	ChEMBL_859460 (CHEMBL2167538)	Displacement of [125I]-BNtxA from mouse cloned DOR-1 expressed in CHO cell membrane after 90 mins
50040500	1	ChEMBL_859592 (CHEMBL2168415)	Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells
50040500	2	ChEMBL_859593 (CHEMBL2168416)	Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells
50040501	1	ChEMBL_859652 (CHEMBL2168889)	Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A3AR
50040501	2	ChEMBL_859653 (CHEMBL2168890)	Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A2AR
50040501	3	ChEMBL_859785 (CHEMBL2169613)	Displacement of [3H]2-chloro-N6-cyclopentyladenosine from human A1AR
50040501	4	ChEMBL_859786 (CHEMBL2169614)	Agonist activity at human A1AR assessed as induction of Ca2+ ion mobilization by orthogonal functional assay
50040501	5	ChEMBL_859787 (CHEMBL2169615)	Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by luciferase reporter assay
50040501	6	ChEMBL_859788 (CHEMBL2169616)	Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins by luciferase reporter assay
50040502	1	ChEMBL_859791 (CHEMBL2169619)	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting
50040502	2	ChEMBL_859793 (CHEMBL2169621)	Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting
50040502	3	ChEMBL_859794 (CHEMBL2169622)	Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting
50040502	4	ChEMBL_859792 (CHEMBL2169620)	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting
50040502	5	ChEMBL_859789 (CHEMBL2169617)	Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation
50040503	1	ChEMBL_859797 (CHEMBL2169625)	Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethionamide to inhibit 50% microbial growth by automated fluorescent confocal microscopy
50040503	2	ChEMBL_859798 (CHEMBL2169626)	Inhibition at EthR in Mycobacterium smegmatis mc2 155 assessed as reactivation of beta-glucuronidase activity measured over 48 hrs by Spectrophotometry
50040504	1	ChEMBL_859812 (CHEMBL2166096)	Displacement of [3H]-5-CT from human cloned 5HT7 receptor
50040504	2	ChEMBL_859808 (CHEMBL2166092)	Binding affinity to rat cloned 5HT7 receptor
50040504	3	ChEMBL_859806 (CHEMBL2166090)	Displacement of [3H]LSD from rat kidney proximal convoluted tubule 5HT7R expressed in COS7 cells
50040504	4	ChEMBL_859819 (CHEMBL2166103)	Antagonist activity at human 5HT7A receptor expressed in human HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation by ELISA
50040504	5	ChEMBL_859814 (CHEMBL2166098)	Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor
50040505	1	ChEMBL_859837 (CHEMBL2166121)	Binding affinity to dopamine D4 receptor by radioligand binding assay
50040505	2	ChEMBL_859962 (CHEMBL2167545)	Binding affinity to adrenergic alpha1B receptor by radioligand binding assay
50040505	3	ChEMBL_859963 (CHEMBL2167546)	Binding affinity to adrenergic alpha1A receptor by radioligand binding assay
50040505	4	ChEMBL_859964 (CHEMBL2167547)	Binding affinity to 5HT7 receptor by radioligand binding assay
50040505	5	ChEMBL_859969 (CHEMBL2167552)	Binding affinity to 5HT2B receptor by radioligand binding assay
50040505	6	ChEMBL_859970 (CHEMBL2167553)	Binding affinity to 5HT2A receptor by radioligand binding assay
50040505	7	ChEMBL_859974 (CHEMBL2167557)	Binding affinity to 5HT1A receptor by radioligand binding assay
50040505	8	ChEMBL_859982 (CHEMBL2167565)	Displacement of [3H]-YM-09151-2 from human cloned D4 receptor expressed in Sf9 cells after 60 mins by liquid scintillation counting
50040505	9	ChEMBL_859983 (CHEMBL2167566)	Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50040506	1	ChEMBL_860160 (CHEMBL2168701)	Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay
50040506	2	ChEMBL_860148 (CHEMBL2168689)	Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced response after 2 to 6 days by two electrode voltage clamp assay
50040507	1	ChEMBL_860169 (CHEMBL2168710)	Inhibition of human recombinant CatS assessed as suppression of enzyme-mediated Z-Val-Val-Arg-AMC cleavage by QFRET assay
50040507	2	ChEMBL_860168 (CHEMBL2168709)	Inhibition of human recombinant CatL assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay
50040507	3	ChEMBL_860167 (CHEMBL2168708)	Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay
50040507	4	ChEMBL_860170 (CHEMBL2168711)	Inhibition of human recombinant CatB assessed as suppression of enzyme-mediated Z-Arg-Arg-AMC cleavage by QFRET assay
50040507	5	ChEMBL_860171 (CHEMBL2168712)	Inhibition of dog recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay
50040507	6	ChEMBL_860183 (CHEMBL2168923)	Inhibition at human ERG by ion works screening assay
50040508	1	ChEMBL_860195 (CHEMBL2168935)	Inhibition of P300 CH1 domain-mediated HIF1 transcriptional activity in human LN229-V6R cells assessed as reduction in luciferase activity incubated for 1 hr under normoxia followed by 24 hrs under hypoxia by reporter gene assay
50040509	1	ChEMBL_860413 (CHEMBL2166400)	Inhibition of MEK1
50040509	2	ChEMBL_860551 (CHEMBL2167125)	Inhibition of GSK3beta
50040509	3	ChEMBL_860396 (CHEMBL2166179)	Inhibition of LCK
50040509	4	ChEMBL_860395 (CHEMBL2166178)	Inhibition of P38alpha
50040509	5	ChEMBL_860394 (CHEMBL2166177)	Inhibition of PRAK
50040509	6	ChEMBL_860393 (CHEMBL2166176)	Inhibition of ROK2
50040509	7	ChEMBL_860392 (CHEMBL2166175)	Inhibition of JNK2
50040509	8	ChEMBL_860389 (CHEMBL2166172)	Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter
50040509	9	ChEMBL_860350 (CHEMBL2166133)	Competitive inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP by Lineweaver-Burke plot analysis
50040509	10	ChEMBL_860353 (CHEMBL2166136)	Binding affinity to recombinant MAPKAP-K2 using KKKALSRQLSVAA as substrate after 4 mins by surface plasmon resonance spectroscopic analysis
50040509	11	ChEMBL_860352 (CHEMBL2166135)	Inhibition of MAPKAP-K2
50040509	12	ChEMBL_860361 (CHEMBL2166144)	Inhibition of MAPKAP-K2 in mouse whole blood assessed as inhibition of LPS-induced TNFalpha production by ELISA
50040509	13	ChEMBL_860363 (CHEMBL2166146)	Inhibition of MAPKAP-K2 in human whole blood assessed as inhibition of LPS-induced TNFalpha production by ELISA
50040509	14	ChEMBL_860407 (CHEMBL2166394)	Inhibition of human MAPKAP-K2 in THP1 cells assessed as inhibition of LPS-induced TNFalpha production incubated 1 hr prior to LPS challenge measured 18 hrs post LPS challenge by HTRF assay
50040509	15	ChEMBL_860369 (CHEMBL2166152)	Inhibition of human CHK2 by cyclex assay
50040509	16	ChEMBL_860386 (CHEMBL2166169)	Inhibition of human CHK2 by radiometric assay
50040509	17	ChEMBL_860552 (CHEMBL2167126)	Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter
50040510	1	ChEMBL_860557 (CHEMBL2167131)	Inhibition of human recombinant GST-tagged SIRT2 preincubated for 5 mins measured after 1 hr by Fluor de Lys-based fluorescence assay
50040511	1	ChEMBL_860570 (CHEMBL2167144)	Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analysis
50040512	1	ChEMBL_860770 (CHEMBL2168490)	Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay
50040512	2	ChEMBL_860771 (CHEMBL2168491)	Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay
50040512	3	ChEMBL_860769 (CHEMBL2168489)	Binding affinity to human ERG expressed in CHOK1 cells by IonWorks HT assay
50040512	4	ChEMBL_860727 (CHEMBL2168237)	Inhibition of recombinant rat NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay
50040512	5	ChEMBL_860772 (CHEMBL2168492)	Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay
50040512	6	ChEMBL_860764 (CHEMBL2168484)	Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay
50040512	7	ChEMBL_860780 (CHEMBL2168500)	Inhibition of KCNQ2
50040512	8	ChEMBL_860779 (CHEMBL2168499)	Inhibition of Kv1.5
50040512	9	ChEMBL_860778 (CHEMBL2168498)	Inhibition of human ERG
50040513	1	ChEMBL_857972 (CHEMBL2166480)	Inhibition of human DYRK1A kinase expressed in Escherichia coli cells
50040513	2	ChEMBL_857971 (CHEMBL2166479)	Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay
50040514	1	ChEMBL_857979 (CHEMBL2166487)	Competitive inhibition of recombinant human BHMT2 expressed in Escherichia coli BL31(DE3) by Dixon plot method in presence of D,L-homocysteine
50040514	2	ChEMBL_857980 (CHEMBL2166488)	Inhibition of recombinant human BHMT expressed in Escherichia coli BL31(DE3)
50040514	3	ChEMBL_857981 (CHEMBL2166489)	Inhibition of recombinant human BHMT2 expressed in Escherichia coli BL31(DE3)
50040515	1	ChEMBL_857984 (CHEMBL2166492)	Inhibition of human CA1 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay
50040515	2	ChEMBL_857985 (CHEMBL2166493)	Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay
50040515	3	ChEMBL_857986 (CHEMBL2166494)	Inhibition of human recombinant CA9 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay
50040515	4	ChEMBL_857987 (CHEMBL2166495)	Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50040515	5	ChEMBL_857988 (CHEMBL2166496)	Inhibition of full length human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50040515	6	ChEMBL_857983 (CHEMBL2166491)	Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay
50040516	1	ChEMBL_858025 (CHEMBL2166761)	Inhibition of human ERG by Ionworks assay
50040516	2	ChEMBL_858024 (CHEMBL2166760)	Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter
50040517	1	ChEMBL_858254 (CHEMBL2167881)	Inhibition of human ERG expressed in CHOK1 cells for 5 mins by automated patch clamp assay
50040517	2	ChEMBL_858269 (CHEMBL2168075)	Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after 15 mins by beta counting analysis
50040517	3	ChEMBL_858264 (CHEMBL2168070)	Inhibition of human recombinant FAAH
50040517	4	ChEMBL_858268 (CHEMBL2168074)	Inhibition of recombinant FAAH using [3H]oleamide as substrate by TLC analysis
50040517	5	ChEMBL_858267 (CHEMBL2168073)	Inhibition of FAAH
50040518	1	ChEMBL_858285 (CHEMBL2168091)	Inhibition of VEGFR2-mediated angiogenesis in human HUVEC cells after 24 hrs by inverted photomicroscopic analysis
50040518	2	ChEMBL_858286 (CHEMBL2168092)	Inhibition of VEGFR2 after 60 mins by electrophoretic mobility shift assay
50040519	1	ChEMBL_858496 (CHEMBL2169295)	Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate
50040519	2	ChEMBL_858494 (CHEMBL2169293)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate
50040519	3	ChEMBL_858497 (CHEMBL2169296)	Inhibition of human CYP11B1 expressed in hamster V79 MZh cells using deoxycorticosterone substrate
50040519	4	ChEMBL_858492 (CHEMBL2169291)	Inhibition of human placental CYP19 using androstenedione substrate
50040520	1	ChEMBL_858528 (CHEMBL2169532)	Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040520	2	ChEMBL_858506 (CHEMBL2169305)	Inhibition of CYP2D6
50040520	3	ChEMBL_858507 (CHEMBL2169306)	Inhibition of CYP3A4
50040520	4	ChEMBL_858508 (CHEMBL2169307)	Inhibition of CYP2C9
50040520	5	ChEMBL_858509 (CHEMBL2169308)	Inhibition of CYP1A2
50040520	6	ChEMBL_858522 (CHEMBL2169526)	Antagonist activity at KCNQ4 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040520	7	ChEMBL_858523 (CHEMBL2169527)	Antagonist activity at KCNQ2/Q3 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040520	8	ChEMBL_858525 (CHEMBL2169529)	Antagonist activity at KCNQ1/E1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040520	9	ChEMBL_858524 (CHEMBL2169528)	Antagonist activity at KCNQ1 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040520	10	ChEMBL_858529 (CHEMBL2169533)	Antagonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay
50040521	1	ChEMBL_858530 (CHEMBL2169534)	Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence assay
50040521	2	ChEMBL_858531 (CHEMBL2169535)	Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting
50040522	1	ChEMBL_858555 (CHEMBL2166000)	Inhibition of human ERG
50040522	2	ChEMBL_858557 (CHEMBL2166002)	inhibition of CYP1A2
50040522	3	ChEMBL_858559 (CHEMBL2166004)	inhibition of CYP2D6
50040522	4	ChEMBL_858714 (CHEMBL2167025)	inhibition of CYP3A4
50040522	5	ChEMBL_858560 (CHEMBL2166005)	inhibition of CYP2C9
50040522	6	ChEMBL_858721 (CHEMBL2167032)	Inhibition of IKK2 in human A549 cells assessed as inhibition of TNFalpha-induced NFKB activation
50040522	7	ChEMBL_858722 (CHEMBL2167033)	Inhibition of IKK1 in presence of 1 uM ATP
50040522	8	ChEMBL_858723 (CHEMBL2167034)	Inhibition of IKK2 in presence of 1 uM ATP
50040523	1	ChEMBL_858736 (CHEMBL2167047)	Displacement of [125I]-IABN from D3 receptor
50040523	2	ChEMBL_858734 (CHEMBL2167045)	Displacement of [125I]-IABN from D2 receptor
50040524	1	ChEMBL_858750 (CHEMBL2167265)	Inhibition of human ERG
50040525	1	ChEMBL_859151 (CHEMBL2169567)	Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method
50040526	1	ChEMBL_859298 (CHEMBL2166823)	Binding affinity to mGluR5 receptor in Sprague-Dawley rat brain by beta counting
50040526	2	ChEMBL_859304 (CHEMBL2166829)	Displacement of [3H]-ABP688 from mGluR5 receptor in Sprague-Dawley rat brain after 45 mins by beta counting
50040527	1	ChEMBL_859657 (CHEMBL2168894)	Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in HEK 293 cells after 1 hr by scintillation counting
50040527	2	ChEMBL_859656 (CHEMBL2168893)	Displacement of [3H]PBS603 from human adenosine A2B receptor expressed in CHO cells after 2 hrs by scintillation counting
50040527	3	ChEMBL_859655 (CHEMBL2168892)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK 293 cells after 2 hrs by scintillation counting
50040527	4	ChEMBL_859654 (CHEMBL2168891)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by scintillation counting
50040528	1	ChEMBL_859681 (CHEMBL2169116)	Agonist activity at human D2L receptor expressed in HEK293T cells coexpressing Gi subunit assessed as inhibition of isoproterenol-stimulated cAMP production by luminescence assay
50040528	2	ChEMBL_859682 (CHEMBL2169117)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method
50040528	3	ChEMBL_859665 (CHEMBL2168902)	Partial agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin recruitment at 6 uM after 18 hrs by luminescence assay
50040528	4	ChEMBL_859677 (CHEMBL2168914)	Partial agonist activity at human D2L receptor expressed in HEK293T cells coexpressing Gi subunit assessed as inhibition of isoproterenol-stimulated cAMP production by luminescence assay
50040528	5	ChEMBL_859668 (CHEMBL2168905)	Binding affinity to 5-HT1A receptor
50040528	6	ChEMBL_859670 (CHEMBL2168907)	Binding affinity to 5-HT2C receptor
50040528	7	ChEMBL_859672 (CHEMBL2168909)	Binding affinity to 5-HT2B receptor
50040528	8	ChEMBL_859671 (CHEMBL2168908)	Binding affinity to 5-HT2A receptor
50040528	9	ChEMBL_859679 (CHEMBL2168916)	Agonist activity at D2L receptor in human HTLA cells assessed as beta arrestin recruitment at 6 uM after 18 hrs by luminescence assay
50040529	1	ChEMBL_859685 (CHEMBL2169120)	Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate
50040530	1	ChEMBL_859707 (CHEMBL2169142)	Inhibition of Staphylococcus aureus SplB using fluorogenic Ac-Tro-Glu-Leu-Gln-ACC as substrate by spectrofluorometry
50040531	1	ChEMBL_859717 (CHEMBL2169152)	Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method
50040531	2	ChEMBL_859846 (CHEMBL2166347)	Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method
50040531	3	ChEMBL_859847 (CHEMBL2166348)	Inhibition of CYP19 in human placental microsomes using [1beta-3H]-androstendione as a substrate
50040531	4	ChEMBL_859714 (CHEMBL2169149)	Inhibition of hepatic CYP3A4
50040531	5	ChEMBL_859715 (CHEMBL2169150)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate
50040532	1	ChEMBL_859881 (CHEMBL2166382)	Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis
50040532	2	ChEMBL_859880 (CHEMBL2166381)	Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis
50001307	1	ChEMBL_1715052 (CHEMBL4125101)	Antagonist activity at recombinant human TRPV1 expressed in CHOK1 cells assessed as reduction in capsaicin-induced Ca2+ flux after 15 mins by fluo-4-based FLIPR assay
50001307	2	ChEMBL_1715053 (CHEMBL4125102)	Antagonist activity at recombinant human TRPV1 expressed in CHOK1 cells assessed as reduction in low pH-induced Ca2+ flux after 15 mins by fluo-4-based FLIPR assay
50040533	1	ChEMBL_859897 (CHEMBL2166595)	Inhibition of human topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA after 15 to 30 mins by agarose gel electrophoresis
50040534	1	ChEMBL_860059 (CHEMBL2167995)	Inhibition of ADAMTS-1 using FAM (5-carbosyfluorescein)-AE*LQGRPISIAK substrate after 2 hrs
50040534	2	ChEMBL_860058 (CHEMBL2167994)	Inhibition of MMP-13 using 5-FAM-TPGPLGL[Dap- (DNP)]ARRK(5-TAMRA)-amide as substrate after 45 mins
50040534	3	ChEMBL_860055 (CHEMBL2167991)	Inhibition of TACE using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate preincubated 15 mins measured every 30 sec for 30 mins
50001307	3	ChEMBL_1715054 (CHEMBL4125103)	Antagonist activity at recombinant human TRPV1 expressed in CHOK1 cells assessed as reduction in temperature-induced Ca2+ flux after 15 mins at 45 degC by fluo-4-based FLIPR assay
50001307	4	ChEMBL_1715055 (CHEMBL4125104)	Antagonist activity at recombinant rat TRPV1 expressed in HEK293 cells assessed as reduction in capsaicin-induced Ca2+ flux preincubated for 3 mins followed by capsaicin addition measured by calcium 4-dye based FLIPR assay
50001309	1	ChEMBL_1715065 (CHEMBL4125114)	Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50001309	2	ChEMBL_1715071 (CHEMBL4125120)	Mixed-type inhibition of calf intestinal alkaline phosphatase assessed as enzyme-substrate-inhibitor dissociation constant using varying levels of p-NPP as substrate by Lineweaver-Burk plot analysis
50001309	3	ChEMBL_1715070 (CHEMBL4125119)	Mixed-type inhibition of calf intestinal alkaline phosphatase assessed as enzyme-inhibitor dissociation constant using varying levels of p-NPP as substrate by Lineweaver-Burk plot analysis
50001311	1	ChEMBL_1715072 (CHEMBL4125121)	Inhibition of recombinant human C-terminal His10-tagged KLK7 (E23 to H252 residues) using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50001311	2	ChEMBL_1715073 (CHEMBL4125122)	Inhibition of mouse KLK7 using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50040534	6	ChEMBL_860072 (CHEMBL2168198)	Inhibition of MMP-1
50001313	1	ChEMBL_1715098 (CHEMBL4125147)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001313	2	ChEMBL_1715100 (CHEMBL4125149)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001313	3	ChEMBL_1715096 (CHEMBL4125145)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 10 mins by liquid scintillation counting analysis
50001313	4	ChEMBL_1715093 (CHEMBL4125142)	Inhibition of [2H10]NO 711 binding to mouse GAT1 expressed in HEK293 cell membranes after 40 mins by LC-ESI-MS-MS analysis
50001313	5	ChEMBL_1715095 (CHEMBL4125144)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50040536	1	ChEMBL_860218 (CHEMBL2169159)	Antagonist activity at human GHSR1 expressed in CHO-CREluc cells after 4 hrs by Luciferase reporter assay
50040536	2	ChEMBL_860219 (CHEMBL2169160)	Displacement of [125I]-ghrelin from human GHSR1 expressed in CHO-CREluc cells after 1 hr by scintillation counting
50040537	1	ChEMBL_860250 (CHEMBL2169191)	Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation after 1 hr by scintillation counting
50040537	2	ChEMBL_860246 (CHEMBL2169187)	Partial agonist activity at mouse GPR142 expressed in HEK293 cells
50040537	3	ChEMBL_860252 (CHEMBL2169193)	Agonist activity at mouse GPR142 expressed in HEK293 cells by inositol phosphate accumulation assay
50040538	1	ChEMBL_860472 (CHEMBL2166641)	Inhibition of human CYP3A4
50040538	2	ChEMBL_860473 (CHEMBL2166642)	Inhibition of human CYP2D6
50040538	3	ChEMBL_860474 (CHEMBL2166643)	Inhibition of human CYP2C9
50040538	4	ChEMBL_860483 (CHEMBL2166652)	Inhibition of Staphylococcus aureus NAD-dependent DNA ligase
50040539	1	ChEMBL_860627 (CHEMBL2167601)	Inhibition of human PI3K p110beta-mediated AKT phosphorylation at Ser473 in MDA-MB-468 cells after 2 hrs by fluorescence microplate cytometric analysis
50040539	2	ChEMBL_860626 (CHEMBL2167600)	Inhibition of CYP2C9
50040539	3	ChEMBL_860625 (CHEMBL2167599)	Inhibition of CYP3A4
50040539	4	ChEMBL_860622 (CHEMBL2167596)	Inhibition of human recombinant His6-tagged PI3K p110delta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040539	5	ChEMBL_860621 (CHEMBL2167595)	Inhibition of human recombinant His6-tagged PI3K p110bgamma expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040539	6	ChEMBL_860618 (CHEMBL2167592)	Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040539	7	ChEMBL_860617 (CHEMBL2167591)	Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen assay
50040540	1	ChEMBL_860644 (CHEMBL2167784)	Binding affinity to CRFR1 by autoradiography
50040540	2	ChEMBL_860640 (CHEMBL2167614)	Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter
50040541	1	ChEMBL_861052 (CHEMBL2166452)	Inhibition of GPx1 using gultathione as substrate by glutathione reductase-coupled assay
50040542	1	ChEMBL_861074 (CHEMBL2166665)	Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells
50040542	2	ChEMBL_861073 (CHEMBL2166664)	Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells after 1 hr by scintillation counter
50040542	3	ChEMBL_861072 (CHEMBL2166663)	Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter in presence of methiothepin
50040542	4	ChEMBL_861106 (CHEMBL2166697)	Binding affinity to human 5-HT6 receptor
50040542	5	ChEMBL_861075 (CHEMBL2166666)	Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO cells assessed as inhibition of 5-HT-stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50040543	1	ChEMBL_858033 (CHEMBL2166769)	Inhibition of GSK3beta
50040543	4	ChEMBL_858046 (CHEMBL2166782)	Inhibition of Ck1alpha1
50040543	5	ChEMBL_858045 (CHEMBL2166781)	Inhibition of WEE1
50040543	7	ChEMBL_858043 (CHEMBL2166779)	Inhibition of TIE2
50040543	8	ChEMBL_858042 (CHEMBL2166778)	Inhibition of ERBB2
50040543	9	ChEMBL_858041 (CHEMBL2166777)	Inhibition of VEGFR2
50040543	10	ChEMBL_858040 (CHEMBL2166776)	Inhibition of EGFR
50040543	11	ChEMBL_858039 (CHEMBL2166775)	Inhibition of PKCiota
50040543	12	ChEMBL_858038 (CHEMBL2166774)	Inhibition of PKCepsilon
50040543	13	ChEMBL_858037 (CHEMBL2166773)	Inhibition of PKCgamma
50040544	1	ChEMBL_858075 (CHEMBL2166987)	Inhibition of Pseudomonas aeruginosa LpxC
50040545	1	ChEMBL_858305 (CHEMBL2168304)	Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis
50040545	2	ChEMBL_858340 (CHEMBL2168339)	Binding affinity to mGluR5 in Sprague-Dawley rat striatum after 60 mins by autoradiographic analysis
50040545	3	ChEMBL_858302 (CHEMBL2168108)	Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter
50040545	4	ChEMBL_858301 (CHEMBL2168107)	Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter
50040545	5	ChEMBL_858094 (CHEMBL2167206)	Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 20 nM MPEP
50040545	6	ChEMBL_858093 (CHEMBL2167005)	Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 10 nM MPEP
50040545	7	ChEMBL_858092 (CHEMBL2167004)	Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in absence of MPEP
50040545	8	ChEMBL_858087 (CHEMBL2166999)	Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellular Ca2+ level after 30 mins by FLIPR assay
50040545	9	ChEMBL_858346 (CHEMBL2168561)	Inhibition of human ERG by IonWorks assay
50040545	10	ChEMBL_858088 (CHEMBL2167000)	Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellular Ca2+ level after 30 mins by FLIPR assay
50040545	11	ChEMBL_858315 (CHEMBL2168314)	Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting
50040545	12	ChEMBL_858345 (CHEMBL2168560)	Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated IP accumulation incubated for 10 mins prior to glutamate challenge measured 30 mins post glutamate challenge by scintillation counter in presence of [3H]myo-inositol
50040546	1	ChEMBL_858354 (CHEMBL2168569)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50040546	2	ChEMBL_858352 (CHEMBL2168567)	Antagonist activity at human TRPV1 expressed in CHO cells by IonWorks assay
50040547	1	ChEMBL_858567 (CHEMBL2166012)	Antagonist activity at human muscarinic M1 receptor
50040547	2	ChEMBL_858566 (CHEMBL2166011)	Antagonist activity at human muscarinic M3 receptor by calcium mobilization assay
50040547	3	ChEMBL_858565 (CHEMBL2166010)	Antagonist activity at human muscarinic M2 receptor by calcium mobilization assay
50040547	4	ChEMBL_858564 (CHEMBL2166009)	Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay
50040547	5	ChEMBL_858563 (CHEMBL2166008)	Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay
50040548	1	ChEMBL_858575 (CHEMBL2166020)	Inhibition of electric eel AChE by Ellman's method
50040548	2	ChEMBL_858573 (CHEMBL2166018)	Inhibition of horse BChE by Ellman's method
50040548	3	ChEMBL_858574 (CHEMBL2166019)	Inhibition of human BChE by Ellman's method
50040548	4	ChEMBL_858582 (CHEMBL2166027)	Uncompetitive inhibition of human AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysis
50040548	5	ChEMBL_858581 (CHEMBL2166026)	Competitive inhibition of human AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysis
50040548	6	ChEMBL_858580 (CHEMBL2166025)	Uncompetitive inhibition of electric eel AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysis
50040548	7	ChEMBL_858579 (CHEMBL2166024)	Competitive inhibition of electric eel AChE using acetyl thiocholine iodide as substrate by Lineweaver-Burk double-reciprocal analysis
50040548	8	ChEMBL_858577 (CHEMBL2166022)	Inhibition of human AChE by Ellman's method
50040549	1	ChEMBL_861226 (CHEMBL2173364)	Inhibition of full length N-terminal 6x His-tagged human LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate by luminol dependent chemiluminescence assay
50040549	2	ChEMBL_861202 (CHEMBL2173270)	Inhibition of recombinant LSD1 catalytic domain amino acid 178 to 831 expressed in Sf9 cells infected with baculovirus using diMeK4H3-21 as substrate
50040549	3	ChEMBL_861185 (CHEMBL2173253)	Inhibition of N terminal hexahistidine-tag recombinant human LSD1 expressed in Escherichia coli BL21 (DE3) using histone H3 peptide as substrate preincubated for 5 mins before substrate addition measured for 30 mins by microplate reader analysis
50040549	4	ChEMBL_861184 (CHEMBL2173252)	Inhibition of LSD1
50040549	5	ChEMBL_861183 (CHEMBL2173251)	Inhibition of human LSD1 using histone H3 peptide as substrate
50040549	6	ChEMBL_861191 (CHEMBL2173259)	Inhibition of human LSD1 catalytic domain
50040549	7	ChEMBL_861215 (CHEMBL2173353)	Inhibition of human CARM1 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter
50040549	8	ChEMBL_861216 (CHEMBL2173354)	Inhibition of SUV39H1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter
50040549	9	ChEMBL_861217 (CHEMBL2173355)	Inhibition of G9a using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter
50040549	10	ChEMBL_861218 (CHEMBL2173356)	Inhibition of PRMT1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter
50040549	11	ChEMBL_861180 (CHEMBL2173248)	Inhibition of JMJD2A
50040549	12	ChEMBL_861179 (CHEMBL2173247)	Inhibition of JMJD2E
50040549	13	ChEMBL_861178 (CHEMBL2173246)	Inhibition of N-terminal GST-fused human JMJD2C catalytic domain amino acid 1 to 420 using H3K9me3 as substrate by mass spectrophotometric analysis
50040549	14	ChEMBL_861195 (CHEMBL2173263)	Inhibition of JMJD2A catalytic domain by mass spectrophotometric analysis
50040549	15	ChEMBL_861177 (CHEMBL2173245)	Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis
50040549	16	ChEMBL_861194 (CHEMBL2173262)	Inhibition of human JMJD2E
50040549	17	ChEMBL_861196 (CHEMBL2173264)	Competitive binding affinity to full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) after 90 mins by radioactive filter-binding assay in presence of P53 peptide
50040549	18	ChEMBL_861204 (CHEMBL2173342)	Inhibition of full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl- GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by AlphaScreen assay
50040549	19	ChEMBL_861214 (CHEMBL2173352)	Inhibition of human recombinant DOT1L using [3H]-SAM as substrate after 30 mins
50040549	20	ChEMBL_861242 (CHEMBL2173380)	Inhibition of GST-tagged human DOT1L amino acid 1 to 472 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter
50040549	21	ChEMBL_861223 (CHEMBL2173361)	Inhibition of G9a in human MDA-MB-231 cells after 48 hrs by clonogenic assay
50040549	22	ChEMBL_861222 (CHEMBL2173360)	Inhibition of G9a in human MCF7 cells after 48 hrs by clonogenic assay
50040549	23	ChEMBL_861224 (CHEMBL2173362)	Competitive inhibition of GLP by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide
50040549	24	ChEMBL_861225 (CHEMBL2173363)	Competitive inhibition of G9a by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide
50040549	25	ChEMBL_861230 (CHEMBL2173368)	Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry assay
50040549	26	ChEMBL_861227 (CHEMBL2173365)	Inhibition of human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by mass spectrophotometric assay
50040549	27	ChEMBL_861228 (CHEMBL2173366)	Binding affinity to human recombinant GLP catalytic domain amino acid 951 to 1235 expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry assay
50040549	28	ChEMBL_861229 (CHEMBL2173367)	Inhibition of human N-terminal hexahistidine-tagged G9a SET domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) using Histone H3 peptide as substrate preincubated for 15 mins before substrate addition by mass spectrophotometric analysis
50040549	29	ChEMBL_861231 (CHEMBL2173369)	Inhibition of human N-terminal hexahistidine-tagged GLP SET domain amino acid 951 to 1235 expressed in Escherichia coli BL21 (DE3) using Histone H3 peptide as substrate preincubated for 15 mins before substrate addition by mass spectrophotometric analysis
50040549	30	ChEMBL_861232 (CHEMBL2173370)	Inhibition of SUV39H1
50040549	31	ChEMBL_861233 (CHEMBL2173371)	Inhibition of G9a
50040549	32	ChEMBL_861234 (CHEMBL2173372)	Inhibition of GST-tagged G9a after 1 hr by radioactive filter-binding assay
50040549	33	ChEMBL_861236 (CHEMBL2173374)	Inhibition of Drosophila melanogaster PRSET7
50040549	34	ChEMBL_861239 (CHEMBL2173377)	Inhibition of Drosophila melanogaster E(Z)
50040549	35	ChEMBL_861238 (CHEMBL2173376)	Inhibition of mouse G9a
50040549	36	ChEMBL_861240 (CHEMBL2173378)	Inhibition of human SUV39H1
50040549	37	ChEMBL_861241 (CHEMBL2173379)	Inhibition of recombinant Drosophila melanogaster SUV39 by radioactive filter-binding assay
50040550	1	ChEMBL_861531 (CHEMBL2174379)	Inhibition of human 5HT2c receptor expressed in CHO-K1 cells assessed as inhibition of 5HT-induced calcium influx measured up to 30 secs by aequorin luminescence assay
50040550	2	ChEMBL_861681 (CHEMBL2173018)	Inhibition of human CYP2C19 using 3-butyryl-7-methoxycoumarin as substrate incubated for 30 mins prior to substrate addition measured up to 10 mins by fluorimetry
50040550	3	ChEMBL_861680 (CHEMBL2173017)	Inhibition of human CYP3A4 using 7-benzyloxyquinoline as substrate incubated for 30 mins prior to substrate addition measured up to 10 mins by fluorimetry
50040550	4	ChEMBL_861679 (CHEMBL2173016)	Inhibition of human CYP2D6 using 4-methylaminomethyl-7-methoxycoumarin as substrate incubated for 30 mins prior to substrate addition measured up to 10 mins by fluorimetry
50040550	5	ChEMBL_861678 (CHEMBL2173015)	Inhibition of human CYP2C9 using 7-methoxy-4-triflouromethylcoumarin-3-acetic acid as substrate incubated for 30 mins prior to substrate addition measured up to 10 mins by fluorimetry
50040551	1	ChEMBL_861694 (CHEMBL2173108)	Binding affinity to recombinant P300 CH1 domain assessed as dissociation constant by surface plasmon resonance analysis
50040552	1	ChEMBL_861407 (CHEMBL2173943)	Inhibition of MNK2 by radiometric assay
50040552	2	ChEMBL_861406 (CHEMBL2173942)	Inhibition of MLK1 by radiometric assay
50040552	3	ChEMBL_861364 (CHEMBL2173828)	Inhibition of LRRK2 expressed in HEK293 cells using nictide as substrate and [gamma32P]ATP after 15 mins by Cerenkov counting method
50040553	1	ChEMBL_861418 (CHEMBL2174032)	Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay
50040553	2	ChEMBL_861419 (CHEMBL2174033)	Inhibition of human recombinant HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by trypsin-coupled fluorogenic assay
50040553	3	ChEMBL_861420 (CHEMBL2174034)	Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay
50040553	4	ChEMBL_861541 (CHEMBL2174389)	Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay
50040553	5	ChEMBL_861542 (CHEMBL2174390)	Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay
50040554	1	ChEMBL_861565 (CHEMBL2174506)	Inhibition of SIRT3
50040554	2	ChEMBL_861572 (CHEMBL2174513)	Activation of SIRT1
50040554	3	ChEMBL_861568 (CHEMBL2174509)	Inhibition of SIRT1
50040554	4	ChEMBL_861567 (CHEMBL2174508)	Inhibition of SIRT2
50040554	5	ChEMBL_861560 (CHEMBL2174501)	Inhibition of SIRT1 using p53-based 18mer as substrate
50040554	6	ChEMBL_861571 (CHEMBL2174512)	Inhibition of SIRT1 using Ac-His-Arg-Lys-Lys(Ac)-AMC as substrate
50040554	7	ChEMBL_861570 (CHEMBL2174511)	Inhibition of SIRT1 by high throughput screening assay
50040555	1	ChEMBL_861600 (CHEMBL2174541)	Transactivation of VDR expressed in COS7 cells assessed as reduction in 1,25-dihydroxyvitamin D3-induced transcriptional activity by transient transcription assay
50040555	2	ChEMBL_861580 (CHEMBL2174521)	Inhibition of human recombinant soluble epoxide hydrolase
50040555	3	ChEMBL_861581 (CHEMBL2174522)	Inhibition of rat recombinant soluble epoxide hydrolase
50040555	4	ChEMBL_861582 (CHEMBL2174523)	Inhibition of mouse recombinant soluble epoxide hydrolase
50040555	5	ChEMBL_861603 (CHEMBL2174544)	Binding affinity to Sur2
50040555	6	ChEMBL_861587 (CHEMBL2174528)	Antagonist activity at MOR
50040555	8	ChEMBL_861590 (CHEMBL2174531)	Inhibition of human CA2
50040555	9	ChEMBL_861595 (CHEMBL2174536)	Inhibition of non-lysosomal glucosylceramidase in cultured melanoma cells
50040555	10	ChEMBL_861595 (CHEMBL2174536)	Inhibition of non-lysosomal glucosylceramidase in cultured melanoma cells
50040556	1	ChEMBL_861606 (CHEMBL2174547)	Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated human PMNL incubated 10 mins prior to fMLP challenge
50040556	2	ChEMBL_861736 (CHEMBL2173194)	Inhibition of human recombinant 5-lipoxygenase-mediated product formation from arachidonic acid after 5 to 10 mins by HPLC analysis
50040556	3	ChEMBL_861608 (CHEMBL2172850)	Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis
50040556	4	ChEMBL_861751 (CHEMBL2173209)	Inhibition of 5-lipoxygenase in human PMNL S100 supernatant assessed as inhibition of enzyme product formation preincubated for 5 to 10 mins before arachidonic acid addition by HPLC analysis
50040557	1	ChEMBL_861663 (CHEMBL2173000)	Inhibition of NGF binding to p75NTR
50040557	2	ChEMBL_861666 (CHEMBL2173003)	Inhibition of HDM2 binding to p53
50040558	1	ChEMBL_861668 (CHEMBL2173005)	Inhibition of JNK2 in OVA-challenged and IgE-sensitized cells
50040558	2	ChEMBL_861669 (CHEMBL2173006)	Inhibition of JNK1 in OVA-challenged and IgE-sensitized cells
50040558	3	ChEMBL_861670 (CHEMBL2173007)	Inhibition of SYK in OVA-challenged and IgE-sensitized cells assessed as reduction in TNFalpha release
50040558	4	ChEMBL_861671 (CHEMBL2173008)	Inhibition of SYK in OVA-challenged and IgE-sensitized cells assessed as reduction in IL13 release
50040558	5	ChEMBL_861672 (CHEMBL2173009)	Inhibition of SYK in OVA-challenged and IgE-sensitized cells assessed as reduction in IL6 release
50040558	6	ChEMBL_861822 (CHEMBL2173415)	Inhibition of SYK in OVA-challenged and IgE-sensitized cells assessed as reduction in IL2 release
50040558	7	ChEMBL_861821 (CHEMBL2173414)	Inhibition of Ret in human SK-N-SH cells
50040558	8	ChEMBL_861675 (CHEMBL2173012)	Inhibition of Ret by biochemical assay
50040558	9	ChEMBL_861676 (CHEMBL2173013)	Inhibition of SYK in human B-cells cells assessed as reduction in FcepsilonR1/FcgammaR-mediated signaling responses
50040558	10	ChEMBL_861783 (CHEMBL2173296)	Inhibition of SYK in human neutrophils cells assessed as reduction in FcepsilonR1/FcgammaR-mediated signaling responses
50040558	11	ChEMBL_861784 (CHEMBL2173297)	Inhibition of SYK in human THP1 cells assessed as reduction in FcepsilonR1/FcgammaR-mediated signaling responses
50040558	12	ChEMBL_861786 (CHEMBL2173299)	Inhibition of SYK in human macrophages assessed as reduction in FcepsilonR1/FcgammaR-mediated signaling responses
50040558	13	ChEMBL_861785 (CHEMBL2173298)	Inhibition of SYK in cultured human mesangial cells assessed as reduction in FcepsilonR1/FcgammaR-mediated signaling responses
50040558	14	ChEMBL_861787 (CHEMBL2173300)	Inhibition of FGFR4
50040558	15	ChEMBL_861789 (CHEMBL2173302)	Inhibition of JAK2
50040558	16	ChEMBL_861790 (CHEMBL2173383)	Inhibition of LCK
50040558	17	ChEMBL_861791 (CHEMBL2173384)	Inhibition of EGFR
50040558	18	ChEMBL_861792 (CHEMBL2173385)	Inhibition of Lyn
50040558	19	ChEMBL_861793 (CHEMBL2173386)	Inhibition of SYK in cultured human mesangial cells assessed as reduction in tryptase release
50040558	20	ChEMBL_861794 (CHEMBL2173387)	Inhibition of SYK-mediated PLCgamma phosphorylation
50040558	21	ChEMBL_861795 (CHEMBL2173388)	Inhibition of SYK-mediated LAT phosphorylation
50040558	28	ChEMBL_861803 (CHEMBL2173396)	Inhibition of SYK in human platelet-rich plasma assessed as reduction in convulxin-induced GPV1/FcRgamma-mediated platelet aggregation
50040558	30	ChEMBL_861827 (CHEMBL2173420)	Inhibition of SYK in human Ramos B cells assessed as reduction in Ca2+ release
50040558	31	ChEMBL_861805 (CHEMBL2173398)	Inhibition of SYK in peripheral blood monocytes assessed as reduction FcgammaR-mediated superoxide production
50040558	32	ChEMBL_861806 (CHEMBL2173399)	Inhibition of SYK in human U937 cells assessed as reduction FcgammaR-mediated superoxide production
50040558	33	ChEMBL_861808 (CHEMBL2173401)	Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulation
50040558	34	ChEMBL_861807 (CHEMBL2173400)	Inhibition of SYK in human mast cells by immunoprecipitation assay
50040558	35	ChEMBL_861809 (CHEMBL2173402)	Inhibition of SYK in rat RBL2H3 cells by immunoprecipitation assay
50040558	36	ChEMBL_861810 (CHEMBL2173403)	Inhibition of SYK in rat RBL2H3 cells assessed as reduction in DNP-BSA-stimulated Fcepsilon receptor 1-mediated TNFalpha release
50040558	37	ChEMBL_861811 (CHEMBL2173404)	Inhibition of SYK in rat RBL2H3 cells assessed as reduction in DNP-BSA-stimulated Fcepsilon receptor 1-mediated arachidonic acid release
50040558	38	ChEMBL_861812 (CHEMBL2173405)	Inhibition of SYK in rat RBL2H3 cells assessed as reduction in DNP-BSA-stimulated Fcepsilon receptor 1-mediated inositol phosphate release
50040558	39	ChEMBL_861813 (CHEMBL2173406)	Inhibition of SYK in rat RBL2H3 cells assessed as reduction in DNP-BSA-stimulated Fcepsilon receptor 1-mediated 5-HT release
50040558	40	ChEMBL_861814 (CHEMBL2173407)	Inhibition of SYK in human lung mast cells assessed as reduction in anti-IgE-stimulated histamine release
50040558	41	ChEMBL_861829 (CHEMBL2173422)	Inhibition of SYK in human basophils assessed as reduction in anti-IgE-stimulated histamine release
50040558	42	ChEMBL_861815 (CHEMBL2173408)	Inhibition of SYK
50040558	43	ChEMBL_861816 (CHEMBL2173409)	Inhibition of SYK in human mast cell cultures assessed as reduction in Anti-IgG-stimulated FcgammaR-mediated leukotriene LTC4 production by fluorescence polarization assay
50040558	44	ChEMBL_861817 (CHEMBL2173410)	Inhibition of SYK C-terminal domain binding to ITAM
50040559	1	ChEMBL_861317 (CHEMBL2173705)	Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabelled and [2,4,6,7-3H]estrone as substrate after 10 mins by HPLC analysis in presence of NADH
50040559	2	ChEMBL_861303 (CHEMBL2173691)	Inhibition of human CYP1A2
50040559	3	ChEMBL_861850 (CHEMBL2173506)	Inhibition of human CYP2B6
50040559	4	ChEMBL_861305 (CHEMBL2173693)	Inhibition of human CYP2C19
50040559	5	ChEMBL_861304 (CHEMBL2173692)	Inhibition of human CYP2C9
50040559	6	ChEMBL_861307 (CHEMBL2173695)	Inhibition of human CYP3A4
50040559	7	ChEMBL_861306 (CHEMBL2173694)	Inhibition of human CYP2D6
50040559	8	ChEMBL_861311 (CHEMBL2173699)	Inhibition of 17beta-HSD1 in human T47D cells using unlabelled and [2,4,6,7-3H]estrone as substrate preincubated for 30 mins prior to substrate addition measured 0.5 hrs post substrate addition
50040559	9	ChEMBL_861318 (CHEMBL2173706)	Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabelled and [2,4,6,7-3H]estradiol as substrate after 20 mins by HPLC analysis in presence of NAD+
50040560	1	ChEMBL_864816 (CHEMBL2175305)	Inhibition of telomerase in human U937 cells by telomeric repeat amplification protocol
50040560	2	ChEMBL_864815 (CHEMBL2175304)	Inhibition of telomerase in human U937 cells
50040560	3	ChEMBL_864819 (CHEMBL2175308)	Inhibition of telomerase in human HEK293 cells by flashplate assay
50040560	4	ChEMBL_864818 (CHEMBL2175307)	Inhibition of telomerase in human HeLa cells after 2 hrs by [alpha-32P]dGTP incorporation assay
50040560	5	ChEMBL_864817 (CHEMBL2175306)	Inhibition of telomerase in human K562 cells by modified telomeric repeat amplification protocol
50040560	6	ChEMBL_864821 (CHEMBL2175310)	Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction followed by compound washout by spin-telomeric repeat amplification protocol
50040560	7	ChEMBL_864820 (CHEMBL2175309)	Inhibition of telomerase in human HeLa cells using 5'-AAT CCG TCG AGC AGA GTT-3' as substrate incubated for 15 mins prior to extension reaction by telomeric repeat amplification protocol
50040561	1	ChEMBL_865008 (CHEMBL2176172)	Inhibition of Plasmodium falciparum DHOD after 5 to 10 mins by spectrophotometry
50001313	6	ChEMBL_1715092 (CHEMBL4125141)	Inhibition of [2H10]NO 711 binding to mouse GAT1 expressed in HEK293 cell membranes by mass spectrometric analysis
50001313	7	ChEMBL_1715103 (CHEMBL4125152)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake
50040563	1	ChEMBL_862073 (CHEMBL2174185)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method
50040563	2	ChEMBL_862074 (CHEMBL2174186)	Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method
50040564	1	ChEMBL_862590 (CHEMBL2173986)	Antagonist activity at mGlu5 receptor
50040564	2	ChEMBL_862589 (CHEMBL2173985)	Agonist activity at GPR119
50040564	3	ChEMBL_862587 (CHEMBL2173907)	Binding affinity to human recombinant 5HT1A receptor
50040565	1	ChEMBL_862780 (CHEMBL2174492)	Inhibition of JAK2
50040565	2	ChEMBL_862779 (CHEMBL2174491)	Inhibition of LRRK2
50040566	1	ChEMBL_862794 (CHEMBL2172814)	Inhibition of KLK3
50040566	2	ChEMBL_862795 (CHEMBL2172815)	Inhibition of human KLK3 using Mu-SRKSQQY-AMC as substrate by fluorometric analysis
50040566	3	ChEMBL_862797 (CHEMBL2172817)	Inhibition of human KLK2 after 1 hr by phage-display based Immunofluorometric Assay
50040566	4	ChEMBL_862796 (CHEMBL2172816)	Inhibition of human KLK1 using Pro-Phe-Arg-MCA as substrate for 2 mins by spectrophotometric analysis
50040566	5	ChEMBL_862798 (CHEMBL2172818)	Inhibition of human KLK1
50040567	1	ChEMBL_862810 (CHEMBL2172830)	Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
50040567	2	ChEMBL_862807 (CHEMBL2172827)	Inhibition of wild type glucocerebrosidase in human spleen homogenate using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured after 20 mins by fluorimetric analysis
50040568	1	ChEMBL_863007 (CHEMBL2175187)	Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction in nucleus after 30 mins by EMSA
50040568	2	ChEMBL_863014 (CHEMBL2175194)	Inhibition of STAT1 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT1-DNA interaction after 30 mins by EMSA
50040568	3	ChEMBL_863016 (CHEMBL2175196)	Inhibition of STAT3 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction after 30 mins by EMSA
50040568	4	ChEMBL_863018 (CHEMBL2175198)	Inhibition of STAT3 SH2 domain using 5-carboxyfluorescein-GY(PO3H2)LPQTV-NH2 as substrate preincubated for 60 mins prior to substrate addition by fluorescence polarization assay
50040568	6	ChEMBL_862993 (CHEMBL2175173)	Inhibition of STAT3 expressed in human HCT116 cells after 24 hrs by luciferase reporter gene assay
50040568	7	ChEMBL_862994 (CHEMBL2175174)	Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunoblot analysis
50040568	8	ChEMBL_862995 (CHEMBL2175175)	Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis
50040568	9	ChEMBL_862996 (CHEMBL2175176)	Inhibition of STAT1 SH2 domain assessed as inhibition of STAT1 SH2-phosphotyrosine interaction by AlphaScreen assay
50040568	10	ChEMBL_862997 (CHEMBL2175177)	Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction by AlphaScreen assay
50040568	11	ChEMBL_862998 (CHEMBL2175178)	Inhibition of STAT3 expressed in human U3A cells after 1 hr by luciferase reporter gene assay
50040568	12	ChEMBL_863005 (CHEMBL2175185)	Binding affinity to STAT3 SH2 in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR
50040568	13	ChEMBL_863006 (CHEMBL2175186)	Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay
50040569	1	ChEMBL_863155 (CHEMBL2175766)	Inhibition of GCGR expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry
50040569	2	ChEMBL_863154 (CHEMBL2175765)	Inhibition of CCR6 expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry
50040569	3	ChEMBL_863153 (CHEMBL2175764)	Inhibition of adrenergic receptor 1b receptor expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry
50040569	4	ChEMBL_863152 (CHEMBL2175763)	Inhibition of adrenergic receptor 1a expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry
50040570	1	ChEMBL_863173 (CHEMBL2175784)	Inhibition of human recombinant COX2 expressed in Sf21 cells using arachidonic acid as substrate preincubated for 15 mins before arachidonic acid addition measured after 5 mins
50040570	2	ChEMBL_863174 (CHEMBL2175785)	Inhibition of human platelet COX1 using arachidonic acid as substrate preincubated for 15 mins before arachidonic acid addition measured after 15 mins
50040570	3	ChEMBL_863172 (CHEMBL2175783)	Displacement of [3H]-estradiol from human recombinant ERbeta expressed in Sf21 cells after 2 hrs
50040570	4	ChEMBL_863171 (CHEMBL2175782)	Displacement of [3H]-estradiol from human recombinant ERalpha expressed in Sf21 cells after 2 hrs
50040570	5	ChEMBL_863177 (CHEMBL2175901)	Inhibition of COX2
50040570	6	ChEMBL_863180 (CHEMBL2175904)	Inhibition of COX1
50040571	1	ChEMBL_863186 (CHEMBL2175910)	Inhibition of human Hao2-mediated oxidation of 2-hydroxyoctanoic acid assessed as proportionate release of H2O2
50040571	2	ChEMBL_863190 (CHEMBL2175914)	Inhibition of rat Hao2-mediated oxidation of 2-hydroxyoctanoic acid assessed as proportionate release of H2O2
50040572	1	ChEMBL_863340 (CHEMBL2176468)	Inhibition of human recombinant ERG channel expressed in HEK297 cells after 3 to 8 mins by voltage clamp assay
50040572	2	ChEMBL_863339 (CHEMBL2176467)	Antagonist activity at human recombinant 5HT2B receptor expressed in HEK293 cells assessed as inhibition of alphamethyl5HT-induced intracellular calcium mobilization by Fluo4-based staining method
50040572	3	ChEMBL_863381 (CHEMBL2176581)	Antagonist activity at human recombinant 5HT6 receptor expressed in HE293 cells assessed as inhibition of serotonin-induced cAMP accumulation after 2 hrs
50040572	4	ChEMBL_863380 (CHEMBL2176580)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in HeLa cells after 120 mins
50040573	1	ChEMBL_863691 (CHEMBL2175533)	Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs by luciferase reporter gene assay
50040574	2	ChEMBL_863887 (CHEMBL2176371)	Inhibition of ALK enzyme
50040574	3	ChEMBL_863732 (CHEMBL2175678)	Binding affinity to human ALK by Ambit titration assay
50040574	4	ChEMBL_863857 (CHEMBL2176247)	Binding affinity to human MER by Ambit titration assay
50040574	5	ChEMBL_863859 (CHEMBL2176249)	Binding affinity to human MAP4K2 by Ambit titration assay
50040574	6	ChEMBL_863861 (CHEMBL2176251)	Binding affinity to human LTK by Ambit titration assay
50040574	7	ChEMBL_863860 (CHEMBL2176250)	Binding affinity to human LCK by Ambit titration assay
50040574	8	ChEMBL_863862 (CHEMBL2176252)	Binding affinity to human IRAK1 by Ambit titration assay
50040574	9	ChEMBL_863863 (CHEMBL2176253)	Binding affinity to human INSR by Ambit titration assay
50040574	10	ChEMBL_863864 (CHEMBL2176254)	Binding affinity to human FLT3 by Ambit titration assay
50040574	11	ChEMBL_863865 (CHEMBL2176255)	Binding affinity to human AXL by Ambit titration assay
50040574	12	ChEMBL_863868 (CHEMBL2176258)	Inhibition of INSR expressed in CHO cells assessed as inhibition of receptor phosphorylation pre-incubated before insulin stimulation by Meso-Scale Discovery pY-IR assay
50040574	13	ChEMBL_863886 (CHEMBL2176370)	Inhibition of c-Met enzyme
50040575	1	ChEMBL_863914 (CHEMBL2176398)	Inhibition of human DAGLalpha
50040575	2	ChEMBL_863890 (CHEMBL2176374)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells
50040575	3	ChEMBL_863891 (CHEMBL2176375)	Displacement of [3H]CP55940 from CB2 receptor in mouse spleen membrane
50040575	4	ChEMBL_863892 (CHEMBL2176376)	Displacement of [3H]CP55940 from CB1 receptor in rat brain synaptosome membrane
50040575	5	ChEMBL_863897 (CHEMBL2176381)	Inhibition of human DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate in detergent free solution by FRET assay
50040575	6	ChEMBL_863903 (CHEMBL2176387)	Inhibition of human MAGL expressed in COS7 cells using endogenous 2-AG substrate
50040575	7	ChEMBL_863904 (CHEMBL2176388)	Inhibition of human N-terminal histidine tagged full length MAGL expressed in Escherichia coli by by coumarin ester substrate fluorescence assay
50040575	8	ChEMBL_863907 (CHEMBL2176391)	Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay
50040576	1	ChEMBL_864282 (CHEMBL2175553)	Inhibition of PI3Kalpha by AlphaScreen assay
50040576	2	ChEMBL_864284 (CHEMBL2175555)	Inhibition of mTOR by LanthaScreen assay
50040576	3	ChEMBL_864281 (CHEMBL2175552)	Inhibition of PI3Kbeta by AlphaScreen assay
50040577	1	ChEMBL_864439 (CHEMBL2176023)	Inhibition of human type-1 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis
50040577	2	ChEMBL_864296 (CHEMBL2175567)	Inhibition of human type-2 5-alpha reductase expressed in HEK293 cells using [3H]-androstenedione as substrate after 30 mins by HPLC analysis
50040578	1	ChEMBL_864478 (CHEMBL2176281)	Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs
50040579	1	ChEMBL_861906 (CHEMBL2173634)	Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter
50040579	2	ChEMBL_861902 (CHEMBL2173630)	Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay
50040579	3	ChEMBL_861896 (CHEMBL2173624)	Antagonist activity at human 5HT2B receptor
50040579	4	ChEMBL_861895 (CHEMBL2173623)	Binding affinity to human 5HT2B receptor
50040579	5	ChEMBL_861873 (CHEMBL2173529)	Inhibition of human recombinant CYP3A4
50040579	6	ChEMBL_861871 (CHEMBL2173527)	Inhibition of human recombinant CYP2E1
50040579	7	ChEMBL_861872 (CHEMBL2173528)	Inhibition of human recombinant CYP2D6
50040579	8	ChEMBL_861907 (CHEMBL2173635)	Inhibition of human recombinant CYP2C19
50040579	9	ChEMBL_861878 (CHEMBL2173606)	Inhibition of human recombinant CYP2C9
50040579	10	ChEMBL_861877 (CHEMBL2173533)	Inhibition of human recombinant CYP2C8
50040579	11	ChEMBL_861876 (CHEMBL2173532)	Inhibition of human recombinant CYP2B6
50040579	12	ChEMBL_861875 (CHEMBL2173531)	Inhibition of human recombinant CYP1A2
50040579	13	ChEMBL_861879 (CHEMBL2173607)	Inhibition of CYP3A4 in human liver microsomes
50040579	14	ChEMBL_861880 (CHEMBL2173608)	Inhibition of CYP2E1 in human liver microsomes
50040579	15	ChEMBL_861908 (CHEMBL2173636)	Inhibition of CYP2D6 in human liver microsomes
50040579	16	ChEMBL_861881 (CHEMBL2173609)	Inhibition of CYP2C19 in human liver microsomes
50040579	17	ChEMBL_861882 (CHEMBL2173610)	Inhibition of CYP2C9 in human liver microsomes
50040579	18	ChEMBL_861883 (CHEMBL2173611)	Inhibition of CYP2C8 in human liver microsomes
50040579	19	ChEMBL_861884 (CHEMBL2173612)	Inhibition of CYP2B6 in human liver microsomes
50040579	20	ChEMBL_861886 (CHEMBL2173614)	Inhibition of CYP1A2 in human liver microsomes
50040580	1	ChEMBL_861913 (CHEMBL2173641)	Inhibition of human plasma F10a assessed as spectrozyme TH hydrolysis after 10 mins
50040580	2	ChEMBL_861917 (CHEMBL2173645)	Inhibition of recombinant wild type thrombin expressed in BHK cells assessed as spectrozyme TH hydrolysis after 10 mins
50040581	1	ChEMBL_862115 (CHEMBL2174300)	Binding affinity to recombinant human myeloperoxidase
50040581	2	ChEMBL_862116 (CHEMBL2174301)	Inhibition of myeloperoxidase
50040581	3	ChEMBL_862117 (CHEMBL2174302)	Inhibition of recombinant human myeloperoxidase
50040581	4	ChEMBL_862123 (CHEMBL2174308)	Inhibition of recombinant human myeloperoxidase assessed as taurine chloramine production after 5 mins by spectrophotometry in presence of H2O2
50040583	1	ChEMBL_862400 (CHEMBL2173430)	Inhibition of CYP2D6 in human liver microsomes using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-methylcoumarin as substrate after 45 mins by LC/MS/MS analysis
50040583	2	ChEMBL_862401 (CHEMBL2173431)	Inhibition of CYP2C9 in human liver microsomes using 7-methoxy-4-(trifluoromethyl)-coumarin as substrate after 45 mins by LC/MS/MS analysis
50040583	3	ChEMBL_862402 (CHEMBL2173432)	Inhibition of CYP2C19 in human liver microsomes using 7-ethoxy-3-cyanocoumarin as substrate after 45 mins by LC/MS/MS analysis
50001314	1	ChEMBL_1715107 (CHEMBL4125156)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 mins by Ellman's method
50001314	2	ChEMBL_1715108 (CHEMBL4125157)	Inhibition of horse serum BChE using butyrylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measured after 20 mins by Ellman's method
50040583	6	ChEMBL_862399 (CHEMBL2173429)	Inhibition of CYP3A4 in human liver microsomes using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by LC/MS/MS analysis
50040583	7	ChEMBL_862394 (CHEMBL2173338)	Inhibition of human ERG expressed in HEK 293 cells by PatchXpress assay
50001316	1	ChEBML_1715129	Inhibition of horse serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 15 mins by spectrophotometric method
50001316	2	ChEBML_1715128	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 15 mins by spectrophotometric method
50040583	8	ChEMBL_862370 (CHEMBL2173314)	Inhibition of NHE1 in rat platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 mins
50040584	1	ChEMBL_862410 (CHEMBL2173440)	Inhibition of C-Raf in presence of 100 uM ATP
50040584	2	ChEMBL_862411 (CHEMBL2173441)	Inhibition of C-Raf in presence of 5 uM ATP
50040584	4	ChEMBL_862415 (CHEMBL2173445)	Inhibition of B-Raf in presence of 5 uM ATP
50040585	1	ChEMBL_862644 (CHEMBL2174117)	Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay
50040585	2	ChEMBL_862643 (CHEMBL2174116)	Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay
50040585	3	ChEMBL_862647 (CHEMBL2174120)	Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay
50040586	2	ChEMBL_862852 (CHEMBL2172954)	Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells after 2 hrs by Western blotting
50001303	1	ChEMBL_1715285 (CHEMBL4125334)	Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system using Poly(Glu,Tyr)4:1 as substrate after 1 hr by ELISA
50001303	2	ChEMBL_1715286 (CHEMBL4125335)	Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant expressed in baculovirus expression system using Poly(Glu,Tyr)4:1 as substrate after 1 hr by ELISA
50040586	3	ChEMBL_862676 (CHEMBL2174224)	Inhibition of WNK2
50040586	4	ChEMBL_862677 (CHEMBL2174225)	Inhibition of YES1
50040586	5	ChEMBL_862678 (CHEMBL2174226)	Inhibition of TRKB
50040586	6	ChEMBL_862679 (CHEMBL2174227)	Inhibition of AXL
50040586	7	ChEMBL_862833 (CHEMBL2172935)	Inhibition of TRKA
50040586	8	ChEMBL_862832 (CHEMBL2172934)	Inhibition of MLK1
50040586	9	ChEMBL_862834 (CHEMBL2172936)	Inhibition of MAP4K5
50040586	10	ChEMBL_862836 (CHEMBL2172938)	Inhibition of NEK4
50040586	11	ChEMBL_862835 (CHEMBL2172937)	Inhibition of LCK
50040586	12	ChEMBL_862838 (CHEMBL2172940)	Inhibition of RET
50040586	13	ChEMBL_862837 (CHEMBL2172939)	Inhibition of MLK3
50040586	14	ChEMBL_862840 (CHEMBL2172942)	Inhibition of TRKC
50040586	15	ChEMBL_862839 (CHEMBL2172941)	Inhibition of IKBKE
50040586	16	ChEMBL_862841 (CHEMBL2172943)	Inhibition of MLCK2
50040586	17	ChEMBL_862843 (CHEMBL2172945)	Inhibition of DDR2
50040586	18	ChEMBL_862842 (CHEMBL2172944)	Inhibition of c-MER
50040586	19	ChEMBL_862845 (CHEMBL2172947)	Inhibition of MLK2
50040586	20	ChEMBL_862844 (CHEMBL2172946)	Inhibition of BRK
50001303	3	ChEMBL_1715306 (CHEMBL4125355)	Inhibition of human CYP3A4 (unknown origin)
50040586	22	ChEMBL_862846 (CHEMBL2172948)	Inhibition of c-Kit
50040586	23	ChEMBL_862849 (CHEMBL2172951)	Inhibition of PKR assessed as EIF2AK2 phosphorylation
50040586	24	ChEMBL_862848 (CHEMBL2172950)	Inhibition of HRI assessed as EIF2AK1 phosphorylation
50040587	1	ChEMBL_862877 (CHEMBL2172979)	Inhibition of telomerase extracted from human A549 cells by TRAP-LIG assay
50040588	1	ChEMBL_863248 (CHEMBL2176191)	Inhibition of CYP3A4
50040588	2	ChEMBL_863255 (CHEMBL2176198)	Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substrate incubated for 15 mins prior to substrate addition measured after 15 mins by fluorimetric analysis
50040588	3	ChEMBL_863254 (CHEMBL2176197)	Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 30 mins by fluorimetric analysis
50040589	2	ChEMBL_863934 (CHEMBL2176511)	Transactivational antagonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as inhibition of T1317-induced luciferase activity after 16 hrs by reporter gene assay
50040589	4	ChEMBL_863942 (CHEMBL2176519)	Transactivational agonist activity at human LXRalpha transfected in HEK293 cells expressing CMX-Gal4N assessed as luciferase activity after 16 hrs by reporter gene assay
50001303	4	ChEMBL_1715304 (CHEMBL4125353)	Inhibition of human CYP2C19 (unknown origin)
50040590	1	ChEMBL_864101 (CHEMBL2174949)	Inhibition of PI3Kgamma by ATP bioluminescence assay
50040590	2	ChEMBL_864102 (CHEMBL2174950)	Inhibition of PI3Kalpha by ATP bioluminescence assay
50040590	3	ChEMBL_864103 (CHEMBL2174951)	Inhibition of PI3Kbeta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay
50040590	4	ChEMBL_864100 (CHEMBL2174948)	Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay
50040590	5	ChEMBL_864099 (CHEMBL2174947)	Inhibition of PI3Kdelta in human B cells assessed as inhibition of anti-IgM/CD40L-induced proliferation after 72 hrs by [3H]thymidine incorporation assay
50040590	6	ChEMBL_863969 (CHEMBL2176626)	Inhibition of PI3Kbeta-mediated AKT Ser473 phosphorylation in human MDA-MB-468 cells after 120 mins by meso scale discover assay
50040591	1	ChEMBL_864133 (CHEMBL2174981)	Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay
50040591	2	ChEMBL_864131 (CHEMBL2174979)	Inhibition of PI3Kgamma assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay
50040591	3	ChEMBL_864130 (CHEMBL2174978)	Inhibition of PI3Kbeta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay
50040591	4	ChEMBL_864134 (CHEMBL2174982)	Inhibition of human PI3Kdelta in Ri-1 cells assessed as inhibition AKt phosphorylation incubated for 30 mins by sandwich immunoassay
50040591	5	ChEMBL_864109 (CHEMBL2174957)	Inhibition of PI3Kalpha assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay
50040592	1	ChEMBL_864146 (CHEMBL2175095)	Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
50040592	2	ChEMBL_864143 (CHEMBL2174991)	Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
50040592	3	ChEMBL_864145 (CHEMBL2175094)	Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
50040592	4	ChEMBL_864139 (CHEMBL2174987)	Inhibition of AKR1C3 overexpressed in human HCT116 cells assessed as inhibition of PR-104A conversion to hydroxylamine after 2 hrs by spectrophotometric analysis
50040592	5	ChEMBL_864144 (CHEMBL2174992)	Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis
50040592	6	ChEMBL_864152 (CHEMBL2175101)	Inhibition of human recombinant AKR1C3 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis
50040592	7	ChEMBL_864154 (CHEMBL2175103)	Inhibition of human recombinant AKR1C1 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis
50040592	8	ChEMBL_864148 (CHEMBL2175097)	Inhibition of AKR1C3 using 9,10-phenanthroquinone as substrate
50040592	9	ChEMBL_864151 (CHEMBL2175100)	Inhibition of human recombinant AKR1C4 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis
50040592	10	ChEMBL_864153 (CHEMBL2175102)	Inhibition of human recombinant AKR1C2 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis
50040592	11	ChEMBL_864150 (CHEMBL2175099)	Inhibition of AKR1C3
50040593	1	ChEMBL_864299 (CHEMBL2175570)	Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using 2,6-dichoroindophenol substrate by spectrophotometric analysis
50040594	1	ChEMBL_864305 (CHEMBL2175576)	Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry
50040594	2	ChEMBL_864306 (CHEMBL2175577)	Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry
50040594	3	ChEMBL_864307 (CHEMBL2175578)	Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry
50040594	4	ChEMBL_864308 (CHEMBL2175679)	Inhibition of human recombinant AKR1C1 assessed as S-tetralol oxidation by micro plate fluorescence reader based assay
50040594	5	ChEMBL_864309 (CHEMBL2175680)	Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis
50040594	6	ChEMBL_864310 (CHEMBL2175681)	Competitive inhibition of human recombinant AKR1C2 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis
50040594	7	ChEMBL_864311 (CHEMBL2175682)	Competitive inhibition of human recombinant AKR1C1 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis
50040594	8	ChEMBL_864312 (CHEMBL2175683)	Inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by micro plate fluorescence reader based assay
50040594	9	ChEMBL_864313 (CHEMBL2175684)	Inhibition of human recombinant AKR1C2 assessed as S-tetralol oxidation by micro plate fluorescence reader based assay
50040594	10	ChEMBL_864318 (CHEMBL2175689)	Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation at 400 uM by spectrophotometry
50040595	1	ChEMBL_864350 (CHEMBL2175827)	Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 24 hrs GC/MS analysis
50040596	1	ChEMBL_864513 (CHEMBL2176422)	Inhibition of human PDE4D
50040596	2	ChEMBL_864512 (CHEMBL2176421)	Inhibition of human PDE4B
50040596	3	ChEMBL_864514 (CHEMBL2176423)	Inhibition of human PDE4A
50040596	4	ChEMBL_864549 (CHEMBL2176529)	Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay
50040596	5	ChEMBL_864550 (CHEMBL2176530)	Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay
50040596	6	ChEMBL_864551 (CHEMBL2176531)	Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay
50040597	1	ChEMBL_864703 (CHEMBL2174861)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins
50040597	2	ChEMBL_864704 (CHEMBL2174862)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodium-dependent [14C]methyl-alpha-D-glucopyranoside uptake after 45 mins
50040598	1	ChEMBL_864705 (CHEMBL2174863)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins
50040598	2	ChEMBL_864710 (CHEMBL2174868)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat membrane
50040599	1	ChEMBL_864908 (CHEMBL2175751)	Inhibition of human recombinant PDE4D
50040599	2	ChEMBL_864910 (CHEMBL2175753)	Inhibition of human recombinant PDE4C
50040599	3	ChEMBL_864911 (CHEMBL2175754)	Inhibition of human recombinant PDE4B
50040599	4	ChEMBL_864912 (CHEMBL2175862)	Inhibition of human recombinant PDE4A
50040600	1	ChEMBL_864915 (CHEMBL2175865)	Binding affinity to Bacillus thermoproteolyticus thermolysin by UV-VIS spectrophotometric analysis in presence of 2-furanacryloyl-Gly-Leu-NH2
50040601	1	ChEMBL_861926 (CHEMBL2173730)	Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method
50040601	2	ChEMBL_861925 (CHEMBL2173729)	Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method
50040601	3	ChEMBL_861927 (CHEMBL2173731)	Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method
50040601	4	ChEMBL_861928 (CHEMBL2173732)	Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method
50040601	5	ChEMBL_861929 (CHEMBL2173733)	Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs
50040601	6	ChEMBL_861930 (CHEMBL2173734)	Inhibition of MMP2
50040602	1	ChEMBL_861945 (CHEMBL2173749)	Inhibition of mTOR
50040602	2	ChEMBL_861943 (CHEMBL2173747)	Inhibition of human VPS34
50040602	3	ChEMBL_861950 (CHEMBL2173754)	Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spectrophotometric analysis
50040602	4	ChEMBL_861952 (CHEMBL2173756)	Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by spectrophotometric analysis
50040602	5	ChEMBL_861949 (CHEMBL2173753)	Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by spectrophotometric analysis
50001303	5	ChEMBL_1715302 (CHEMBL4125351)	Inhibition of human CYP1A2 (unknown origin)
50001303	6	ChEMBL_1715303 (CHEMBL4125352)	Inhibition of human CYP2C9 (unknown origin)
50001303	7	ChEMBL_1715305 (CHEMBL4125354)	Inhibition of human CYP2D6 (unknown origin)
50001305	1	ChEMBL_1715329 (CHEMBL4125378)	Inhibition of TNFalpha (unknown origin)-induced adhesion of BCECF fluorescence-labeled human U937 cells to human HT-29 cells measured at 3 hrs post TNFalpha stimulation
50001308	1	ChEMBL_1715366 (CHEMBL4125415)	Inhibition of human SIRT6 (1 to 294 residues) expressed in Escherichia coli Rosetta (DE3) using H3K9AcWW as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by HPLC analysis
50001308	2	ChEMBL_1715362 (CHEMBL4125411)	Inhibition of human SIRT1 expressed in Escherichia coli BL21 using H3K9AcWW as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by HPLC analysis
50001308	3	ChEMBL_1715363 (CHEMBL4125412)	Inhibition of human N-terminal His6-SUMO-tagged SIRT2 (38 to 356 residues) expressed in Escherichia coli BL21 using H3K9AcWW as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by HPLC analysis
50001308	4	ChEMBL_1715364 (CHEMBL4125413)	Inhibition of human SIRT3 expressed in Escherichia coli BL21 using H3K9AcWW as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by HPLC analysis
50040604	1	ChEMBL_862225 (CHEMBL2172906)	Inhibition of human recombinant JNK2alpha2-mediated ATF-2 phosphorylation after 30 mins by immunoblotting method
50040604	2	ChEMBL_862226 (CHEMBL2172907)	Inhibition of human MAPK p38beta by Z'-LYTE assay
50040604	3	ChEMBL_862227 (CHEMBL2172908)	Inhibition of human MAPK p38alpha by Z'-LYTE assay
50040604	4	ChEMBL_862219 (CHEMBL2172900)	Inhibition of human ERG by Rb ion flux assay
50040604	5	ChEMBL_862220 (CHEMBL2172901)	Inhibition of CYP3A4 using midazolam as substrate
50040604	6	ChEMBL_862222 (CHEMBL2172903)	Inhibition of CYP2D6
50040604	7	ChEMBL_862221 (CHEMBL2172902)	Inhibition of CYP2C9
50040604	8	ChEMBL_862223 (CHEMBL2172904)	Inhibition of CYP2C19
50040604	9	ChEMBL_862224 (CHEMBL2172905)	Inhibition of CYP1A2
50040605	1	ChEMBL_862442 (CHEMBL2173537)	Inhibition of human ERG expressed in CHOK1 cells after 5 mins by whole-cell patch clamp assay
50040605	2	ChEMBL_862443 (CHEMBL2173538)	Antagonist activity at human recombinant CXCR4 expressed in CHO cells assessed as inhibition of SDF1a-induced electrical impedance by dielectric spectroscopic analysis
50040606	1	ChEMBL_862690 (CHEMBL2174238)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting
50040607	1	ChEMBL_862693 (CHEMBL2174241)	Inhibition of ovine COX2 by colorimetric assay
50040607	2	ChEMBL_862694 (CHEMBL2174242)	Inhibition of ovine COX1 by colorimetric assay
50040608	1	ChEMBL_862700 (CHEMBL2174248)	Agonist activity at FLAG-tagged human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay
50040608	2	ChEMBL_862703 (CHEMBL2174251)	Activation of human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay
50040608	3	ChEMBL_862705 (CHEMBL2174253)	Inverse agonist activity at human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay
50040608	4	ChEMBL_862706 (CHEMBL2174254)	Displacement of [35S]MK677 from human ghrelin receptor expressed in COS-7 cells incubated for 3 hrs
50040608	5	ChEMBL_862726 (CHEMBL2174351)	Inverse agonist activity at FLAG-tagged human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay
50040608	6	ChEMBL_862728 (CHEMBL2174353)	Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay
50040608	7	ChEMBL_862908 (CHEMBL2173092)	Agonist activity at human ghrelin receptor expressed in COS 7 cells using [2-3H]myo-inositol by inositol triphosphate turnover assay
50040609	1	ChEMBL_862923 (CHEMBL2174887)	Displacement of [3H]CGS21680 from human A2a adenosine receptor expressed in HEK293 cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer
50040609	2	ChEMBL_862925 (CHEMBL2174889)	Displacement of [3H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer
50040609	3	ChEMBL_862921 (CHEMBL2174885)	Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 min Packard Cobra 2 gamma-counter
50040610	1	ChEMBL_862959 (CHEMBL2175023)	Inhibition of CYP2C9 in human liver microsomes
50040610	2	ChEMBL_862958 (CHEMBL2175022)	Inhibition of CYP2D6 in human liver microsomes
50040610	3	ChEMBL_862961 (CHEMBL2175025)	Inhibition of CYP2C19 in human liver microsomes
50040610	4	ChEMBL_862960 (CHEMBL2175024)	Inhibition of CYP2C8 in human liver microsomes
50040610	5	ChEMBL_862963 (CHEMBL2175027)	Inhibition of CYP1A2 in human liver microsomes
50040610	6	ChEMBL_862962 (CHEMBL2175026)	Inhibition of CYP3A4 in human liver microsomes
50040610	7	ChEMBL_863093 (CHEMBL2175489)	Antagonist activity at c-MET receptor in human A549 cells assessed as inhibition of autophosphorylation after 1 hr by ELISA
50040610	8	ChEMBL_863095 (CHEMBL2175491)	Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry
50040610	9	ChEMBL_862948 (CHEMBL2174912)	Inhibition of human ERG by patch clamp technique
50040611	1	ChEMBL_863109 (CHEMBL2175607)	Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472) by isothermal titration calorimetric assay
50040611	2	ChEMBL_863116 (CHEMBL2175614)	Inhibition of SUV39H1
50040611	3	ChEMBL_863115 (CHEMBL2175613)	Inhibition of CARM1
50040611	4	ChEMBL_863117 (CHEMBL2175615)	Inhibition of PRMT1
50040611	5	ChEMBL_863118 (CHEMBL2175616)	Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter
50040611	6	ChEMBL_863107 (CHEMBL2175605)	Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay in presence of 1 uM of SAH
50040611	7	ChEMBL_863108 (CHEMBL2175606)	Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay
50040611	8	ChEMBL_863099 (CHEMBL2175495)	Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay in presence of 20 uM of SAH
50040611	9	ChEMBL_863100 (CHEMBL2175496)	Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay in presence of 10 uM of SAH
50040611	10	ChEMBL_863101 (CHEMBL2175497)	Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay in presence of 5 uM of SAH
50040611	11	ChEMBL_863102 (CHEMBL2175498)	Competitive inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay in presence of 2.5 uM of SAH
50040612	1	ChEMBL_863129 (CHEMBL2175627)	Inhibition of recombinant p300 HAT domain using Histone H4(1-20) substrate assessed as inhibition of histone acetyltransferase activity after 10 mins by liquid scintillation counting
50040612	2	ChEMBL_863123 (CHEMBL2175621)	Binding affinity to fluorescein-labeled Histone H4(1-20) by spectrofluorometry
50040612	3	ChEMBL_863131 (CHEMBL2175629)	Non competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki slope using SAM preincubated for 5 mins measured after 8 mins by liquid scintillation counting
50040612	4	ChEMBL_863132 (CHEMBL2175630)	Competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki intercept using Histone H4(1-20) substrate preincubated for 5 mins measured after 8 mins by liquid scintillation counting
50040612	5	ChEMBL_863133 (CHEMBL2175631)	Inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells using Histone H4(1-20) substrate preincubated for 5 mins measured after 8 mins by liquid scintillation counting
50040613	1	ChEMBL_863265 (CHEMBL2176208)	Inhibition of human recombinant SIRT1 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p53 conjugated with aminomethylcoumarin as substrate by fluorescence assay
50040613	2	ChEMBL_863263 (CHEMBL2176206)	Inhibition of human recombinant SIRT2 expressed in Escherichia coli using Fluor de Lys substrate by fluorescence assay
50040613	3	ChEMBL_863266 (CHEMBL2176209)	Inhibition of human recombinant SIRT1 expressed in Escherichia coli using Fluor de Lys substrate by fluorescence assay
50040613	4	ChEMBL_863264 (CHEMBL2176207)	Inhibition of human recombinant SIRT2 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p53 conjugated with aminomethylcoumarin as substrate by fluorescence assay
50040614	1	ChEMBL_863278 (CHEMBL2176221)	Inhibition of AGT in human HL60 cells assessed as AGT levels using [3H]AGT after 2 hrs
50040615	1	ChEMBL_863292 (CHEMBL2176328)	Inhibition of c-MET by ELISA assay
50040616	1	ChEMBL_863322 (CHEMBL2176358)	Inhibition of human ERG expressed in CHOK1 cells by patch clamp technique
50040616	2	ChEMBL_863323 (CHEMBL2176359)	Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of dopamine reuptake after 30 mins by fluorescence assay
50040616	3	ChEMBL_863447 (CHEMBL2174644)	Inhibition of human NET expressed in HEK293 cells assessed as inhibition of noradrenaline reuptake after 30 mins by fluorescence assay
50040616	4	ChEMBL_863448 (CHEMBL2174645)	Inhibition of human SERT expressed in HEK293 cells assessed as inhibition of serotonin reuptake after 30 mins by fluorescence assay
50040617	1	ChEMBL_863496 (CHEMBL2174777)	Inhibition of cloned human recombinant PDE7B assessed as [3H]cAMP hydrolysis by radiometric assay
50040617	2	ChEMBL_863486 (CHEMBL2174683)	Inhibition of cloned human recombinant PDE4D assessed as [3H]cAMP hydrolysis by radiometric assay
50040617	3	ChEMBL_863498 (CHEMBL2174779)	Inhibition of cloned human recombinant PDE7A assessed as [3H]cAMP hydrolysis by radiometric assay
50040618	2	ChEMBL_863501 (CHEMBL2174782)	Transactivation of full length human VDR expressed in human HeLa cells assessed as increase in CYP24 transcription after 18 hrs by luciferase reporter gene assay
50040619	1	ChEMBL_863514 (CHEMBL2174795)	Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	2	ChEMBL_863625 (CHEMBL2175357)	Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	3	ChEMBL_863626 (CHEMBL2175358)	Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	4	ChEMBL_863513 (CHEMBL2174794)	Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	5	ChEMBL_863633 (CHEMBL2175365)	Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	7	ChEMBL_863634 (CHEMBL2175366)	Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay
50040619	8	ChEMBL_863627 (CHEMBL2175359)	Inhibition of Trypanosoma brucei TbrPDEB1
50040620	1	ChEMBL_863683 (CHEMBL2175525)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-induced smooth muscle contraction after 3 mins
50040620	2	ChEMBL_863684 (CHEMBL2175526)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-induced smooth muscle contraction after 3 mins
50040620	3	ChEMBL_863801 (CHEMBL2175967)	Displacement of [3H]DPDPE from delta opioid receptor in calf frontal cortex after 1 hr by gamma counter
50040620	4	ChEMBL_863804 (CHEMBL2176094)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter
50040620	6	ChEMBL_863803 (CHEMBL2176093)	Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter
50040621	1	ChEMBL_864176 (CHEMBL2175125)	Inhibition of human recombinant cathepsin-L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
50040621	2	ChEMBL_864175 (CHEMBL2175124)	Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
50040621	3	ChEMBL_864178 (CHEMBL2175127)	Inhibition of cathepsin-k
50040621	4	ChEMBL_864177 (CHEMBL2175126)	Inhibition of human recombinant cathepsin-S using Z-Val-Val-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
50040621	5	ChEMBL_864171 (CHEMBL2175120)	Inhibition of human recombinant cathepsin-B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay
50040622	1	ChEMBL_864181 (CHEMBL2175130)	Displacement of [33P]2-MeS-ADP from human recombinant P2Y1 receptor expressed in CHO cell membranes by scintillation counting method
50040622	2	ChEMBL_864185 (CHEMBL2175134)	Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method
50040623	1	ChEMBL_864201 (CHEMBL2175253)	Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay
50040623	2	ChEMBL_864205 (CHEMBL2175257)	Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins by saturation binding assay
50040623	3	ChEMBL_864210 (CHEMBL2175262)	Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins
50040623	4	ChEMBL_864207 (CHEMBL2175259)	Binding affinity to oxytocin receptor
50040623	5	ChEMBL_864209 (CHEMBL2175261)	Binding affinity to vasopressin V1a receptor
50040623	6	ChEMBL_864188 (CHEMBL2175240)	Binding affinity to human muscarinic M1 receptor
50040623	7	ChEMBL_864211 (CHEMBL2175263)	Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assay
50040623	8	ChEMBL_864195 (CHEMBL2175247)	Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins
50040623	9	ChEMBL_864198 (CHEMBL2175250)	Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins
50040623	10	ChEMBL_864200 (CHEMBL2175252)	Displacement of [3H]-AVP from human vasopressin V1a receptor expressed in CHO cells after 30 mins
50040623	11	ChEMBL_864208 (CHEMBL2175260)	Binding affinity to vasopressin V2 receptor
50040624	1	ChEMBL_864382 (CHEMBL2175859)	Binding affinity to VDR assessed as inhibition of fluorescent ligand by fluorescence polarization competition assay
50040624	2	ChEMBL_864384 (CHEMBL2175861)	Agonist activity at VDR in human MCF7 cells assessed as transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay
50040625	1	ChEMBL_864588 (CHEMBL2176568)	Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis
50040625	2	ChEMBL_864584 (CHEMBL2176564)	Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis
50001308	5	ChEMBL_1715365 (CHEMBL4125414)	Inhibition of human SIRT5 expressed in Escherichia coli BL21 using H3K9AcWW as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by HPLC analysis
50001312	1	ChEMBL_1715375 (CHEMBL4125424)	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometric method
50001312	2	ChEMBL_1715382 (CHEMBL4125431)	Competitive inhibition of recombinant human MAO-A using kynuramine as substrate by Lineweaver-Burk plot analysis
50001312	3	ChEMBL_1715376 (CHEMBL4125425)	Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 30 mins by spectrophotometric method
50001312	4	ChEMBL_1715385 (CHEMBL4125434)	Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cells using aminoproplyether of luciferin methyl ester as substrate after 90 mins by chemiluminescence assay
50001312	5	ChEMBL_1715384 (CHEMBL4125433)	Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cells using tyramine as substrate
50001312	6	ChEMBL_1715383 (CHEMBL4125432)	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins by spectrophotometric method
50001312	7	ChEMBL_1715381 (CHEMBL4125430)	Reversible inhibition of recombinant human MAO-A assessed as residual activity using kynuramine as substrate preincubated for 30 mins followed by dialysis for 6 hrs by spectrophotometric method
50001315	1	ChEMBL_1715426 (CHEMBL4125475)	Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membranes after 60 mins by scintillation counting method
50001316	3	ChEMBL_1715129 (CHEMBL4125178)	Inhibition of horse serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 15 mins by spectrophotometric method
50001316	4	ChEMBL_1715128 (CHEMBL4125177)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured every 5 mins for 15 mins by spectrophotometric method
50040627	1	ChEMBL_864726 (CHEMBL2174993)	Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine
50040628	1	ChEMBL_864727 (CHEMBL2174994)	Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'-phosphate DNA product N14P after 15 mins by PAGE analysis
50040628	2	ChEMBL_864728 (CHEMBL2174995)	Inhibition of human recombinant Tdp1 expressed in Tdp1 knockout chicken DT40 cells using 5'-32P-labeled 5'-GATCTAAAAGACTT-pY-3' as substrate after 15 mins by PAGE analysis
50040628	3	ChEMBL_864731 (CHEMBL2174998)	Inhibition of recombinant Tdp2
50040628	4	ChEMBL_864729 (CHEMBL2174996)	Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'-phosphate DNA product N14P after 15 mins by PAGE analysis in presence of bovine serum albumin
50040629	1	ChEMBL_864738 (CHEMBL2175005)	Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by microplate reader analysis
50040629	2	ChEMBL_864740 (CHEMBL2175007)	Inhibition of human recombinant HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by microplate reader analysis
50040629	3	ChEMBL_864739 (CHEMBL2175006)	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by microplate reader analysis
50040629	4	ChEMBL_864759 (CHEMBL2175141)	Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins by microplate reader analysis
50040630	1	ChEMBL_864760 (CHEMBL2175142)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates
50040631	1	ChEMBL_864947 (CHEMBL2175897)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells membrane by [35S]-GTPgammaS assay
50040631	2	ChEMBL_864944 (CHEMBL2175894)	Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting
50040631	3	ChEMBL_864943 (CHEMBL2175893)	Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting
50040632	1	ChEMBL_864984 (CHEMBL2176058)	Inhibition of eIF4FA in human MDA-MB-231 cells transfected with c-myc- 5'-UTR-luciferase construct assessed as reduction in translation initiation incubated for 24 hrs by differential translation assay
50040632	2	ChEMBL_864983 (CHEMBL2176057)	Inhibition of eIF4FA in human MDA-MB-231 cells transfected with tubulin 5'-UTR-luciferase construct assessed as reduction in translation initiation incubated for 24 hrs by differential translation assay
50040633	1	ChEMBL_864990 (CHEMBL2176154)	Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay
50040634	1	ChEMBL_862011 (CHEMBL2173961)	Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay
50040634	2	ChEMBL_862012 (CHEMBL2173962)	Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay
50040635	1	ChEMBL_862018 (CHEMBL2173968)	Inhibition of human ERG expressed in CHO cells by IonworksHT assay
50040635	2	ChEMBL_862024 (CHEMBL2173974)	Inhibition of human ERG expressed in HEK293 cells by electrophysiological ion flux assay
50040635	3	ChEMBL_862026 (CHEMBL2173976)	Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells
50040635	4	ChEMBL_862020 (CHEMBL2173970)	Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay
50040635	5	ChEMBL_862013 (CHEMBL2173963)	Antagonist activity at CCR3 receptor in human polymorphonuclear leukocytes assessed as inhibition of eotaxin-induced CD11b expression after 15 mins by flow cytometric analysis
50040636	1	ChEMBL_862035 (CHEMBL2174064)	Inhibition of Plasmodium falciparum N-myristoyltransferase using [3H]-myristoyl-CoA and GLYVSRLFNRLFQKK(Biotin)-NH2 as substrate after 30 mins scintillation proximity assay
50040636	2	ChEMBL_862034 (CHEMBL2173984)	Inhibition of human N-myristoyltransferase using [3H]-myristoyl-CoA and GLYVSRLFNRLFQKK(Biotin)-NH2 as substrate after 30 mins scintillation proximity assay
50040637	1	ChEMBL_862250 (CHEMBL2173027)	Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid scintillation counting
50040637	2	ChEMBL_862038 (CHEMBL2174067)	Inhibition of sheep COX2 pre-incubated for 5 mins before anandamide acid substrate addition by peroxidase activity detection based oxygen electrode assay
50040637	3	ChEMBL_862037 (CHEMBL2174066)	Inhibition of sheep COX1 pre-incubated for 5 mins before arachidonic acid substrate addition in presence of ethanol by peroxidase activity detection based oxygen electrode assay
50040637	4	ChEMBL_862036 (CHEMBL2174065)	Inhibition of sheep COX1 pre-incubated for 5 mins before arachidonic acid substrate addition in presence of DMSO by peroxidase activity detection based oxygen electrode assay
50040637	5	ChEMBL_862040 (CHEMBL2174069)	Inhibition of FAAH in Sprague-Dawley rat cerebellum membranes pre-incubated for 10 mins before addition of [3H]AEA substrate in presence of ethyl alcohol by liquid scintillation counting
50040637	6	ChEMBL_862249 (CHEMBL2172930)	Inhibition of human COX2 pre-incubated for 10 mins before substrate addition by enzyme immunoassay
50040637	7	ChEMBL_862248 (CHEMBL2172929)	Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid substrate addition by enzyme immunoassay
50040638	1	ChEMBL_862263 (CHEMBL2173040)	Inhibition of GST-tagged recombinant Bcl-XL interaction with biotinylated Bim peptide by ELISA based competitive binding assay
50040638	2	ChEMBL_862260 (CHEMBL2173037)	Inhibition of GST-tagged recombinant Bfl1 interaction with biotinylated Bim peptide by ELISA based competitive binding assay
50040638	3	ChEMBL_862261 (CHEMBL2173038)	Inhibition of GST-tagged recombinant Mcl1 interaction with biotinylated Bim peptide by ELISA based competitive binding assay
50040638	4	ChEMBL_862262 (CHEMBL2173039)	Inhibition of GST-tagged recombinant Bcl2 interaction with biotinylated Bim peptide by ELISA based competitive binding assay
50040639	1	ChEMBL_862287 (CHEMBL2173143)	Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay
50040639	2	ChEMBL_862287 (CHEMBL2173143)	Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay
50040639	3	ChEMBL_862290 (CHEMBL2173146)	Inhibition of human CDK7
50040639	4	ChEMBL_862289 (CHEMBL2173145)	Inhibition of human CDK6
50040639	5	ChEMBL_862291 (CHEMBL2173147)	Inhibition of human CDK2
50040639	7	ChEMBL_862297 (CHEMBL2173153)	Inhibition of PKG in Plasmodium falciparum 3D7 microgametes
50040639	8	ChEMBL_862298 (CHEMBL2173154)	Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametes
50040640	1	ChEMBL_873079 (CHEMBL2182555)	Binding affinity to His6-tagged BRD4 expressed in Escherichia coli by isothermal colorimetric analysis
50040640	2	ChEMBL_873080 (CHEMBL2182556)	Binding affinity to His6-tagged BRD3 expressed in Escherichia coli by isothermal colorimetric analysis
50040640	3	ChEMBL_873081 (CHEMBL2182557)	Binding affinity to His6-tagged BRD2 expressed in Escherichia coli by isothermal colorimetric analysis
50040640	4	ChEMBL_873082 (CHEMBL2182558)	Inhibition of His6-tagged BRD4-BD12 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGSK-biotin after 1 hr by TR-FRET assay
50040640	5	ChEMBL_873083 (CHEMBL2182559)	Inhibition of His6-tagged BRD3 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGSK-biotin after 1 hr by TR-FRET assay
50040640	6	ChEMBL_873084 (CHEMBL2182560)	Inhibition of His6-tagged BRD2 expressed in Escherichia coli assessed as inhibition of binding to SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHGSGSK-biotin after 1 hr by TR-FRET assay
50040640	7	ChEMBL_873085 (CHEMBL2182561)	Inhibition of human C-terminal BRD4 bromodomain expressed in Escherichia coli BL21(DE3) after 30 mins by luminescence proximity homogeneous assay
50040640	8	ChEMBL_873086 (CHEMBL2182562)	Inhibition of human N-terminal BRD4 bromodomain expressed in Escherichia coli BL21(DE3) after 30 mins by luminescence proximity homogeneous assay
50040640	9	ChEMBL_873089 (CHEMBL2182565)	Inhibition of His6-tagged BRD4 expressed in Escherichia coli after 60 mins by fluorescence anisotropy assay
50040640	10	ChEMBL_873090 (CHEMBL2182566)	Inhibition of His6-tagged BRD3 expressed in Escherichia coli after 60 mins by fluorescence anisotropy assay
50040640	11	ChEMBL_873091 (CHEMBL2182567)	Inhibition of His6-tagged BRD2 expressed in Escherichia coli after 60 mins by fluorescence anisotropy assay
50040640	12	ChEMBL_873077 (CHEMBL2182553)	Binding affinity to His6-tagged BRD4 expressed in Escherichia coli by surface plasmon resonance assay
50040640	13	ChEMBL_873078 (CHEMBL2182554)	Binding affinity to His6-tagged BRD2 expressed in Escherichia coli by surface plasmon resonance assay
50040641	1	ChEMBL_873113 (CHEMBL2182589)	Inhibition of CRTH2
50040641	2	ChEMBL_873094 (CHEMBL2182570)	Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change by gated autofluorescence forward scatter analysis
50040641	3	ChEMBL_873111 (CHEMBL2182587)	Inhibition of CRTH2 in human whole blood
50040641	4	ChEMBL_873096 (CHEMBL2182572)	Displacement of [3H]PGD2 from recombinant human CRTH2 expressed in HEK293 cells after 2 hrs by microbeta scintillation counting
50040641	5	ChEMBL_873095 (CHEMBL2182571)	Displacement of [3H]PGD2 from CRTH2 expressed in HEK293 cells after 3 hrs by liquid scintillation counting
50040641	6	ChEMBL_873099 (CHEMBL2182575)	Displacement of [3H]PGD2 from CRTH2 expressed in CHO cells after 1 hr by beta counting analysis
50040641	7	ChEMBL_873097 (CHEMBL2182573)	Inhibition of SERT
50040641	8	ChEMBL_873098 (CHEMBL2182574)	Inhibition of rat aldose reductase
50040641	9	ChEMBL_873100 (CHEMBL2182576)	Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced antiapoptotic activity
50040641	10	ChEMBL_873101 (CHEMBL2182577)	Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced IL13 production
50040641	11	ChEMBL_873102 (CHEMBL2182578)	Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced chemotaxis
50040641	12	ChEMBL_873103 (CHEMBL2182579)	Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change
50040641	13	ChEMBL_873107 (CHEMBL2182583)	Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluorescence assay
50040641	14	ChEMBL_873108 (CHEMBL2182584)	Partial antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change by FACS analysis
50040641	15	ChEMBL_873110 (CHEMBL2182586)	Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 90 mins by TopCount analysis
50040641	16	ChEMBL_873112 (CHEMBL2182588)	Displacement of [3H]PGD2 from human CRTH2 expressed in HEK293 cells after 60 mins by liquid scintillation counting
50040641	17	ChEMBL_873109 (CHEMBL2182585)	Inhibition of TP receptor
50040641	18	ChEMBL_873092 (CHEMBL2182568)	Displacement of [3H]PGD2 from human CRTH2 expressed in K562 cells after 60 mins by scintillation counting in presence of 4% human serum albumin
50040641	19	ChEMBL_873093 (CHEMBL2182569)	Displacement of [3H]PGD2 from human CRTH2 expressed in K562 cells after 60 mins by scintillation counting
50040642	1	ChEMBL_873128 (CHEMBL2182977)	Antagonist activity at mGLUR3 expressed in CHO cells assessed as inhibition of glutamate-induced inhibition of forskolin-stimulated cAMP production
50040642	2	ChEMBL_873130 (CHEMBL2182979)	Antagonist activity at mGLUR2 expressed in CHO cells assessed as inhibition of glutamate-induced inhibition of forskolin-stimulated cAMP production
50040642	3	ChEMBL_873129 (CHEMBL2182978)	Binding affinity to mGLUR3
50040642	4	ChEMBL_873131 (CHEMBL2182980)	Binding affinity to mGLUR2
50040642	5	ChEMBL_873132 (CHEMBL2182981)	Antagonist activity at human mGLUR3 expressed in RGT cells assessed as inhibition of (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid-induced inhibition of forskolin stimulated cyclic-AMP
50040642	6	ChEMBL_873134 (CHEMBL2182983)	Antagonist activity at human mGLUR2 expressed in RGT cells assessed as inhibition of (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid-induced inhibition of forskolin stimulated cyclic-AMP
50040642	7	ChEMBL_873133 (CHEMBL2182982)	Agonist activity at mGLUR3 expressed in CHO cells
50040642	8	ChEMBL_873325 (CHEMBL2185178)	Agonist activity at mGLUR2 expressed in CHO cells
50040642	11	ChEMBL_873137 (CHEMBL2182986)	Agonist activity at mGLUR3 in rat cerebral cortex assessed as inhibition of forskolin-stimulated cAMP production
50040642	12	ChEMBL_873324 (CHEMBL2185177)	Agonist activity at mGLUR2 in rat cerebral cortex assessed as inhibition of forskolin-stimulated cAMP production
50040643	1	ChEMBL_873340 (CHEMBL2185193)	Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome
50040643	2	ChEMBL_873326 (CHEMBL2185179)	Time dependent inhibition of CYP2B6 in human liver microsomes
50040643	3	ChEMBL_873336 (CHEMBL2185189)	Time dependent inhibition of CYP3A4 in human liver microsomes
50040643	4	ChEMBL_873335 (CHEMBL2185188)	Time dependent inhibition of CYP3A4
50040643	5	ChEMBL_873328 (CHEMBL2185181)	Reversible inhibition of CYP3A4
50040643	6	ChEMBL_873329 (CHEMBL2185182)	Inhibition of CYP3A4 in human liver microsomes
50040643	7	ChEMBL_873351 (CHEMBL2185204)	Time dependent inhibition of CYP2C8 in human liver microsomes
50040643	8	ChEMBL_873330 (CHEMBL2185183)	Inhibition of CYP2C8 in human liver microsomes in presence of NADPH
50040643	9	ChEMBL_873350 (CHEMBL2185203)	Inhibition of CYP2C8
50040643	10	ChEMBL_873331 (CHEMBL2185184)	Reversible inhibition of CYP2C8 in human liver microsomes
50040643	11	ChEMBL_873332 (CHEMBL2185185)	Reversible inhibition of CYP2C9 in human liver microsomes
50040643	12	ChEMBL_873327 (CHEMBL2185180)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH
50040643	13	ChEMBL_873348 (CHEMBL2185201)	Time dependent inhibition of CYP2C19
50040643	14	ChEMBL_873347 (CHEMBL2185200)	Time dependent inhibition of CYP3A4 in human liver microsomes assessed as quasi-irreversible complex formation
50040643	15	ChEMBL_873346 (CHEMBL2185199)	Inhibition of CYP3A4-mediated midazolam 1'-hydroxylation
50040643	16	ChEMBL_873337 (CHEMBL2185190)	Competitive inhibition of CYP3A4 in human liver microsomes
50040643	17	ChEMBL_873338 (CHEMBL2185191)	Inhibition of CYP3A4-mediated N-demethylation in human liver microsomes
50040644	1	ChEMBL_873372 (CHEMBL2185623)	Inhibition of PDE4B
50040644	2	ChEMBL_873614 (CHEMBL2187903)	Binding affinity to BRD4 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis
50040644	3	ChEMBL_873615 (CHEMBL2187904)	Binding affinity to BRD3 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis
50040644	4	ChEMBL_873616 (CHEMBL2187905)	Binding affinity to human BRD2 assessed as inhibition of Alexa Fluor 488 binding after 60 mins by fluorescence anisotropic analysis
50040644	5	ChEMBL_873395 (CHEMBL2185646)	Inhibition of CYP2C19
50040644	6	ChEMBL_873607 (CHEMBL2187896)	Inhibition of CYP3A4 using diethoxyfluoresin as substrate
50040644	7	ChEMBL_873609 (CHEMBL2187898)	Inhibition of CYP2C9
50001318	1	ChEMBL_1715151 (CHEMBL4125200)	Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method
50040646	1	ChEMBL_874112 (CHEMBL2187053)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by HPLC-MS analysis
50001319	1	ChEMBL_1715180 (CHEMBL4125229)	Inhibition of full length human ERG expressed in HEK293 cells assessed as reduction in tail current at holding potential of -70 mV after 6 to 7 mins by IonWork patch clamp method
50001320	1	ChEMBL_1715234 (CHEMBL4125283)	Binding affinity to Candida albicans CYP51 by spectral titration method
50001320	2	ChEMBL_1715250 (CHEMBL4125299)	Inhibition of Candida albicans CYP51 assessed as reduction in [3-3H]lanosterol 14alpha-demethylation preincubated for 60 secs followed by NADPH addition measured after 60 mins by RP-HPLC analysis
50001322	1	ChEMBL_1715253 (CHEMBL4125302)	Inhibition of Campylobacter pylori urease preincubated for 5 mins followed by urea addition measured after 10 mins by Berthelot assay
50001323	1	ChEMBL_1715482 (CHEMBL4125531)	Inhibition of HIV1 3B protease infected in human MT4 cells assessed as protection from virus induced cytopathogenicity measured after 5 days post infection by MTT assay
50001324	1	ChEMBL_1715485 (CHEMBL4125534)	Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay
50001324	2	ChEMBL_1715492 (CHEMBL4125541)	Binding affinity to EP4 receptor (unknown origin)
50001324	3	ChEMBL_1715490 (CHEMBL4125539)	Binding affinity to EP2 receptor (unknown origin)
50001324	4	ChEMBL_1715491 (CHEMBL4125540)	Binding affinity to EP3 receptor (unknown origin)
50001325	1	ChEMBL_1715537 (CHEMBL4125586)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 2 mins followed by substrate addition and measured after 2 mins by Ellman's method
50001325	2	ChEMBL_1715536 (CHEMBL4125585)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 2 mins followed by substrate addition and measured after 2 mins by Ellman's method
50040646	4	ChEMBL_874106 (CHEMBL2187047)	Inhibition of human ERG
50040647	1	ChEMBL_874128 (CHEMBL2187069)	Displacement of [125I]I-AB-MECA from human rat adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter
50040647	2	ChEMBL_874129 (CHEMBL2187070)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter
50040647	3	ChEMBL_874132 (CHEMBL2187073)	Displacement of [3H]CGS21680 from rat adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter
50040647	4	ChEMBL_874131 (CHEMBL2187072)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter
50040647	5	ChEMBL_874130 (CHEMBL2187071)	Displacement of [3H]CCPA from rat adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter
50040647	6	ChEMBL_874127 (CHEMBL2187068)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter
50040647	7	ChEMBL_874119 (CHEMBL2187060)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells by [S35]GTPgammaS binding assay
50040647	8	ChEMBL_874120 (CHEMBL2187061)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimulated [3H]cAMP accumulation by scintillation counter
50040647	9	ChEMBL_874121 (CHEMBL2187062)	Antagonist activity at human recombinant adenosine A3 receptor expressed in HEK293 cells
50040647	10	ChEMBL_874117 (CHEMBL2187058)	Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cyclic AMP production
50040647	11	ChEMBL_874118 (CHEMBL2187059)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-mediated cyclic AMP production
50001327	1	ChEMBL_1715558 (CHEMBL4125607)	Inhibition of recombinant Bacillus cereus BC1974 expressed in Escherichia coli using GlcNAc5 as substrate measured after 5 mins by fluorescamine based fluorescence assay
50001327	2	ChEMBL_1715559 (CHEMBL4125608)	Inhibition of recombinant Bacillus cereus BC1960 expressed in Escherichia coli using GlcNAc5 as substrate measured after 10 mins by fluorescamine based fluorescence assay
50001327	3	ChEMBL_1715560 (CHEMBL4125609)	Competitive inhibition of recombinant Bacillus cereus BC1974 expressed in Escherichia coli using varying levels of GlcNAc5 as substrate measured after 5 mins in presence of fluorescamine by Line-weaver burk plot analysis
50001327	4	ChEMBL_1715561 (CHEMBL4125610)	Competitive inhibition of recombinant Bacillus cereus BC1960 expressed in Escherichia coli using varying levels of GlcNAc5 as substrate measured after 10 mins in presence of fluorescamine by Line-weaver burk plot analysis
50001328	2	ChEMBL_1715579 (CHEMBL4125628)	Inhibition of Plasmodium falciparum Plm4 using synthetic substrate pretreated for 5 mins followed by substrate addition measured immediately by spectrophotometric method
50001328	3	ChEMBL_1715578 (CHEMBL4125627)	Inhibition of Plasmodium falciparum Plm2 using synthetic substrate pretreated for 5 mins followed by substrate addition measured immediately by spectrophotometric method
50001329	1	ChEBML_1715600	Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV spectrophotometric method
50001329	2	ChEBML_1715616	Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TLC
50001329	7	ChEMBL_1715615 (CHEMBL4125664)	Inhibition of human COX1 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by TLC
50040649	1	ChEMBL_874335 (CHEMBL2182243)	Inhibition of GSK3beta-mediated Tau phosphorylation in mouse 3T3 cells after 4 hrs by Western blot analysis
50040649	2	ChEMBL_874339 (CHEMBL2182637)	Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity assay
50040649	3	ChEMBL_874333 (CHEMBL2182241)	Inhibition of GSK3beta
50040650	1	ChEMBL_874354 (CHEMBL2182652)	Binding affinity to human MDM2 by SPR analysis
50040650	2	ChEMBL_874350 (CHEMBL2182648)	Activity at p53 in human HCT116 cells expressing wild type p53 assessed as induction of p21 mRNA expression after 7 hrs by RT-PCR analysis
50040650	3	ChEMBL_874346 (CHEMBL2182644)	Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum
50040651	1	ChEMBL_874580 (CHEMBL2186216)	Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis
50040651	2	ChEMBL_874582 (CHEMBL2186218)	Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis
50040651	3	ChEMBL_874581 (CHEMBL2186217)	Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis
50040651	4	ChEMBL_874587 (CHEMBL2186223)	Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay
50040651	5	ChEMBL_874588 (CHEMBL2186224)	Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay
50040651	6	ChEMBL_874579 (CHEMBL2186215)	Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis
50040651	7	ChEMBL_874589 (CHEMBL2186225)	Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay
50040651	8	ChEMBL_874577 (CHEMBL2186213)	Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis
50040651	9	ChEMBL_874386 (CHEMBL2183039)	Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay
50040651	10	ChEMBL_874578 (CHEMBL2186214)	Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis
50040651	11	ChEMBL_874595 (CHEMBL2186638)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins
50040651	12	ChEMBL_874594 (CHEMBL2186637)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins
50040651	13	ChEMBL_874593 (CHEMBL2186636)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins
50040651	14	ChEMBL_874592 (CHEMBL2186228)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins
50040651	15	ChEMBL_874591 (CHEMBL2186227)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins
50040651	16	ChEMBL_874590 (CHEMBL2186226)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins
50040652	1	ChEMBL_875329 (CHEMBL2188003)	Inhibition of human dihydrofolate dehydrogenase expressed in Escherichia coli BL21(DE3) using dihydrofolate as substrate by DCIP-based colorimetric analysis
50040653	1	ChEMBL_875798 (CHEMBL2186744)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate
50040653	2	ChEMBL_875799 (CHEMBL2186745)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
50040653	3	ChEMBL_875800 (CHEMBL2186746)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate
50040653	4	ChEMBL_875801 (CHEMBL2186747)	Inhibition of CYP2D6 in human liver microsomes using dextrometorphan as substrate
50040653	5	ChEMBL_875802 (CHEMBL2186748)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50040653	6	ChEMBL_875803 (CHEMBL2186749)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50040653	7	ChEMBL_875808 (CHEMBL2186754)	Displacement of [3H]dofetilide to human ERG expressed in HEK293 cells
50040654	1	ChEMBL_876296 (CHEMBL2185357)	Binding affinity to human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 after 1 min by surface plasmon resonance assay
50040654	2	ChEMBL_876306 (CHEMBL2185367)	Inhibition of human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 assessed as inhibition of binding to amyloid beta (1 to 42) after 60 mins by TMB-ELISA
50040655	1	ChEMBL_876338 (CHEMBL2185812)	Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay
50040655	2	ChEMBL_876339 (CHEMBL2185813)	Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay
50040655	3	ChEMBL_876321 (CHEMBL2185382)	Inhibition of PDE8B
50040655	4	ChEMBL_876324 (CHEMBL2185385)	Inhibition of PDE7B
50001329	14	ChEMBL_1715585 (CHEMBL4125634)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50040655	6	ChEMBL_876328 (CHEMBL2185802)	Inhibition of PDE4C
50040655	7	ChEMBL_876327 (CHEMBL2185801)	Inhibition of PDE3A
50040656	1	ChEMBL_872649 (CHEMBL2184225)	Inhibition of human ERG
50040656	2	ChEMBL_872654 (CHEMBL2184230)	Inhibition of human SRB1-mediated Hepatitis C virus genotype 1a entry into human HuH7.5 cells by immunoblotting
50040656	3	ChEMBL_872680 (CHEMBL2184660)	Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay
50040657	1	ChEMBL_872704 (CHEMBL2184684)	Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay
50040657	2	ChEMBL_872705 (CHEMBL2184685)	Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting
50040657	3	ChEMBL_872709 (CHEMBL2185122)	Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay
50040657	4	ChEMBL_872700 (CHEMBL2184680)	Partial agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay
50040657	5	ChEMBL_872681 (CHEMBL2184661)	Displacement of [3H]methylcarbamylcholine from alpha4beta2 nAChR
50040657	6	ChEMBL_872682 (CHEMBL2184662)	Binding affinity to alpha4beta2 nAChR
50040657	7	ChEMBL_872683 (CHEMBL2184663)	Binding affinity to human alpha4beta2 nAChR expressed in xenopus oocyte
50040657	8	ChEMBL_872691 (CHEMBL2184671)	Inhibition of human 5HT3 receptor
50040657	9	ChEMBL_872698 (CHEMBL2184678)	Apparent antagonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as inhibition of nicotine-induced calcium flux by calcium4-based FLIPR assay
50040658	1	ChEMBL_872710 (CHEMBL2185123)	Inhibition of APN
50040658	2	ChEMBL_872712 (CHEMBL2185125)	Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by spectrophotometric analysis
50040658	3	ChEMBL_872714 (CHEMBL2185127)	Competitive inhibition of human recombinant LTA4H using alanine-p-nitroanilide as substrate by Dixon-plot analysis
50040658	4	ChEMBL_872713 (CHEMBL2185126)	Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis
50040658	5	ChEMBL_872713 (CHEMBL2185126)	Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis
50001329	15	ChEMBL_1715616 (CHEMBL4125665)	Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TLC
50001329	12	ChEMBL_1715610 (CHEMBL4125659)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50001329	10	ChEMBL_1715588 (CHEMBL4125637)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured at 1 min time interval by Ellman's method
50001329	5	ChEMBL_1715606 (CHEMBL4125655)	Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 10 mins by stopped flow assay
50001329	8	ChEMBL_1715591 (CHEMBL4125640)	Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex red reagent based assay
50040659	1	ChEMBL_872904 (CHEMBL2187435)	Inhibition of SENP1 catalytic domain endopeptidase activity assessed as release of fluorescent AMC from SUMO-1-AMC preincubated for 10 mins before substrate addition by fluorescence assay
50040660	1	ChEMBL_872908 (CHEMBL2187439)	Binding affinity at human recombinant ARTD8 expressed in Escherichia coli BL21 (DE3) R3 pRARE cells by isothermal titration calorimetry
50040661	2	ChEMBL_872925 (CHEMBL2187456)	Inhibition of PDE11A
50040661	3	ChEMBL_872927 (CHEMBL2187458)	Inhibition of recombinant PDE10A1 expressed in baculovirus infected SF21 cells using [3H]cAMP as substrate after 30 mins by liquid scintillation counting
50040661	4	ChEMBL_872928 (CHEMBL2187828)	Inhibition of recombinant PDE2A expressed in baculovirus infected SF21 cells using [3H]cAMP as substrate after 30 mins by liquid scintillation counting
50040661	6	ChEMBL_872962 (CHEMBL2187862)	Inhibition of recombinant PDE10A by scintillation proximity assay
50040661	7	ChEMBL_872918 (CHEMBL2187449)	Inhibition of rat recombinant PDE10A2 expressed in baculovirus infected SF21 cells using [3H]cAMP as substrate after 60 mins by scintillation proximity assay
50040661	9	ChEMBL_872931 (CHEMBL2187831)	Inhibition of PDE3A
50001329	4	ChEMBL_1715608 (CHEMBL4125657)	Inhibition of soybean lipoxygenase
50040661	11	ChEMBL_872914 (CHEMBL2187445)	Inhibition of PDE10A using [3H]cAMP as substrate after 1 hr by scintillation counting
50001329	9	ChEMBL_1715589 (CHEMBL4125638)	Inhibition of human plasmatic BuChE using butylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured at 1 min time interval by Ellman's method
50001329	11	ChEMBL_1715599 (CHEMBL4125648)	Inhibition of bovine kidney ALR1 using D-glucoronic acid as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV spectrophotometric method
50001329	13	ChEMBL_1715586 (CHEMBL4125635)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50001329	16	ChEMBL_1715600 (CHEMBL4125649)	Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV spectrophotometric method
50040663	1	ChEMBL_873182 (CHEMBL2183413)	Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiography
50040663	2	ChEMBL_873182 (CHEMBL2183413)	Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiography
50001329	6	ChEMBL_1715604 (CHEMBL4125653)	Inhibition of calf intestinal alkaline phosphatase using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50001330	1	ChEMBL_1715618 (CHEMBL4125667)	Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulated IL-1beta secretion incubated for 1 hr followed by nigericin addition measured after 1 hr by ELISA
50040663	6	ChEMBL_873185 (CHEMBL2183416)	Inhibition of DNA-PK in C57BL6 mouse endothelial cells
50001330	2	ChEMBL_1715620 (CHEMBL4125669)	Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta secretion incubated for 1 hr prior to stimulation with nigericin for 1 hr by quanti-blue based SEAP reporter gene assay
50040663	8	ChEMBL_873186 (CHEMBL2183417)	Inhibition of Hsp90
50001331	1	ChEMBL_1715818 (CHEMBL4130818)	Inhibition of perforin (unknown origin)-mediated 51Cr-labelled human Jurkat cell lysis preincubated with protein for 30 mins followed by cell addition measured after 4 hrs by gamma counting method
50040664	1	ChEMBL_873423 (CHEMBL2186098)	Inhibition of CYP3A4
50040664	2	ChEMBL_873425 (CHEMBL2186100)	Inhibition of CYP2C19
50040666	1	ChEMBL_873648 (CHEMBL2188764)	Competitive antagonist activity at human mineralocorticoid receptor expressed in MR-UAS-bla HEK 293T cells assessed as inhibition of aldosterone-induced receptor activation by beta-lactamase reporter gene assay
50040666	3	ChEMBL_873650 (CHEMBL2188766)	Antagonist activity at progesterone receptor
50040666	4	ChEMBL_873651 (CHEMBL2188767)	Antagonist activity at mineralocorticoid receptor
50040666	5	ChEMBL_873652 (CHEMBL2188768)	Displacement of [3H]Aldosterone C from rat mineralocorticoid receptor by liquid scintillation counter analysis
50040666	6	ChEMBL_873664 (CHEMBL2188780)	Antagonist activity at mineralocorticoid receptor in human Huh7 cells by luciferase reporter gene assay
50040666	7	ChEMBL_873653 (CHEMBL2188769)	Antagonist activity at mineralocorticoid receptor expressed in african green monkey COS7 cells after 18 hrs by luciferase reporter gene assay
50040666	8	ChEMBL_873655 (CHEMBL2188771)	Displacement of [3H]-aldosterone from rat mineralocorticoid receptor after 18 hrs by liquid scintillation counter analysis
50040666	9	ChEMBL_873656 (CHEMBL2188772)	Antagonist activity against progesterone receptor expressed in CHOK1 cells after 10 to 30 mins by luciferase reporter gene assay
50040666	10	ChEMBL_873657 (CHEMBL2188773)	Antagonist activity against androgen receptor expressed in CHOK1 cells after 10 to 30 mins by luciferase reporter gene assay
50040666	11	ChEMBL_873658 (CHEMBL2188774)	Antagonist activity against glucocorticoid receptor expressed in CHOK1 cells after 10 to 30 mins by luciferase reporter gene assay
50040666	12	ChEMBL_873659 (CHEMBL2188775)	Antagonist activity against human mineralocorticoid receptor expressed in CHOK1 cells after 10 to 30 mins by luciferase reporter gene assay
50040666	13	ChEMBL_873660 (CHEMBL2188776)	Displacement of [3H]methyltrienolone from human progesterone receptor overexpressed in HEK293 cells by microbeta counting assay
50040666	14	ChEMBL_873661 (CHEMBL2188777)	Displacement of [3H]-methyltrienolone from human androgen receptor overexpressed in HEK293 cells by microbeta counting assay
50040666	15	ChEMBL_873662 (CHEMBL2188778)	Displacement of [3H]dexamethasone from human glucocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay
50040666	16	ChEMBL_873663 (CHEMBL2188779)	Displacement of [3H]aldosterone from human mineralocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay
50040667	1	ChEMBL_873672 (CHEMBL2188788)	Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50040667	3	ChEMBL_873670 (CHEMBL2188786)	Agonist activity at rat P2Y1R expressed in HEK293 cells assessed as release of intracellular calcium by fluorescence based assay
50040668	1	ChEMBL_873890 (CHEMBL2184301)	Inhibition of human recombinant N-terminal histidine tagged LSD1 expressed in Escherichia coli BL21 (DE3) assessed as production of H2O2 using H3K4me2 H3K4me2 (1 to 21 amino acid residues) as substrate by chemiluminescence assay
50040669	1	ChEMBL_873895 (CHEMBL2184306)	Inhibition of human neutrophil elastase
50040669	2	ChEMBL_873896 (CHEMBL2184307)	Inhibition of thrombin assessed as hydrolysis of H-D-Pro-L-Phe-L-Arg-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader analysis
50040669	3	ChEMBL_873897 (CHEMBL2184308)	Inhibition of plasmin assessed as hydrolysis of H-D-Val-L-Leu-L-Lys-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader analysis
50040669	4	ChEMBL_873898 (CHEMBL2184309)	Inhibition of cathepsin G assessed as hydrolysis of N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide incubated for 2 hrs measured for 20 mins by microplate reader analysis
50040669	8	ChEMBL_873906 (CHEMBL2184742)	Inhibition of ACE
50040670	1	ChEMBL_873924 (CHEMBL2184760)	Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incubated for 30 mins prior to LPA-challenge measured over 100 secs by FLIPR assay
50040671	1	ChEMBL_873932 (CHEMBL2184768)	Inhibition of MAP kinase p38alpha assessed as phosphorylation of ATF-2
50040672	1	ChEMBL_874152 (CHEMBL2187507)	Binding affinity to progesterone receptor by competitive binding assay
50040672	2	ChEMBL_874153 (CHEMBL2187508)	Binding affinity to androgen receptor by competitive binding assay
50040673	1	ChEMBL_874172 (CHEMBL2187527)	Inhibition of Mn(II) form of human methionine aminopeptidase1 expressed in Escherichia coli at 100 mM
50040674	1	ChEMBL_874179 (CHEMBL2187911)	Displacement of thiazene red from tau aggregate
50040675	1	ChEMBL_874192 (CHEMBL2187924)	Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter
50040675	2	ChEMBL_874193 (CHEMBL2187925)	Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter
50040675	3	ChEMBL_874194 (CHEMBL2187926)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation using [3H]-cAMP after 5 mins by liquid scintillation counter
50040675	4	ChEMBL_874195 (CHEMBL2187927)	Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation using [3H]-cAMP after 5 mins by liquid scintillation counter
50040676	1	ChEMBL_874447 (CHEMBL2184332)	Inhibition of human Aurora kinase A/TPX2 complex using gamma-[32P]ATP incubated for 1 hr by autoradiography
50040676	2	ChEMBL_874448 (CHEMBL2184333)	Inhibition of Xenopus laevis Aurora kinase B/INCEP complex using gamma-[32P]ATP incubated for 1 hr by autoradiography
50040677	1	ChEMBL_874458 (CHEMBL2184781)	Competitive inhibition of CK2alpha using RRREDEESDDEE as substrate after 5 mins by scintillation counter in presence of [gamma-32P]ATP
50040677	2	ChEMBL_874450 (CHEMBL2184773)	Competitive inhibition of PIM1 using KKRNRTLTV as substrate after 5 mins by scintillation counter in presence of [gamma-32P]ATP
50040677	3	ChEMBL_874451 (CHEMBL2184774)	Inhibition of haspin
50040677	4	ChEMBL_874452 (CHEMBL2184775)	Inhibition of FLT3
50040677	5	ChEMBL_874453 (CHEMBL2184776)	Competitive inhibition of PIM3 in presence of ATP
50040677	6	ChEMBL_874454 (CHEMBL2184777)	Competitive inhibition of PIM2 in presence of ATP
50040677	7	ChEMBL_874455 (CHEMBL2184778)	Competitive binding affinity to PIM2 in presence of ATP
50040677	8	ChEMBL_874456 (CHEMBL2184779)	Competitive binding affinity to PIM1 in presence of ATP
50040677	9	ChEMBL_874457 (CHEMBL2184780)	Competitive inhibition of PIM1 in presence of ATP
50040678	1	ChEMBL_874463 (CHEMBL2184786)	Displacement of H4(1-21)KAc5,8,12,16 peptide from BRD4 isoform 1 bead based amplified luminescent proximity homogeneous assay
50040678	2	ChEMBL_874464 (CHEMBL2184787)	Binding affinity to BRD4 isoform 1
50040678	3	ChEMBL_874646 (CHEMBL2187094)	Inhibition of biotinylated Tat-KAc50 peptide binding to PCAF
50040678	4	ChEMBL_874460 (CHEMBL2184783)	Binding affinity to BRD2 isoform 1 by SPR
50040679	1	ChEMBL_874651 (CHEMBL2187099)	Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by measuring extracellular secreted alkaline phosphatase by HEK-blue reporter gene assay
50040680	1	ChEMBL_874882 (CHEMBL2182698)	Inhibition of human recombinant BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay
50040680	2	ChEMBL_874890 (CHEMBL2182706)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50001332	1	ChEMBL_1715829 (CHEMBL4130829)	Inhibition of JQ1-FITC binding to His6-tagged BRD4-BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3)-codon plus-RIL cells incubated in dark for 4 hrs by fluorescence anisotropy assay
50001332	2	ChEMBL_1715847 (CHEMBL4130847)	Inhibition of human N-terminal His6-tagged BRD4-BD1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) cells using protein thermal shift dye as fluorescence probe by differential scanning fluorimetry
50040680	5	ChEMBL_874707 (CHEMBL2187563)	Inhibition of BACE1-mediated amyloid beta 40 release in C57/BL6 mouse primary cortical neurons after overnight incubation by ELISA
50001335	1	ChEBML_1715921	Inhibition of recombinant full length His-tagged human BMX expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by ADP-glo assay
50001335	2	ChEBML_1715973	Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human MOLM13 cells after 4 hrs by chemiluminescence assay
50001335	3	ChEBML_1715922	Inhibition of recombinant full length His-tagged human BLK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by ADP-glo assay
50001335	4	ChEBML_1715923	Inhibition of recombinant GST-tagged human JAK3 expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by ADP-glo assay
50001335	5	ChEMBL_1715925 (CHEMBL4130925)	Irreversible inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 2 to 60 mins followed by substrate addition measured after 1 hr by ADP-glo assay
50001335	10	ChEMBL_1715920 (CHEMBL4130920)	Inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by ADP-glo assay
50001335	8	ChEMBL_1715979 (CHEMBL4130979)	Inhibition of BTK in anti-IgM stimulated human Ramos cells assessed as decrease in PLCgamma2 phosphorylation at Y1217 after 4 hrs by chemiluminescence assay
50040681	3	ChEMBL_874924 (CHEMBL2183109)	Inhibition of cathepsin D
50040682	1	ChEMBL_874930 (CHEMBL2183115)	Displacement of [3H]epibatidine from Aplysia californica AChBP
50040682	2	ChEMBL_874929 (CHEMBL2183114)	Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP
50040682	3	ChEMBL_874933 (CHEMBL2183118)	Antagonist activity at high sensitivity and low sensitivity alpha4beta2-nAChR expressed in human SH-EP1 cells assessed as inhibition of carbamylcholine-induced stimulation effect measured after 10 mins carbamylcholine challenge by 86Rb+ ion flux assay
50040682	4	ChEMBL_875124 (CHEMBL2185729)	Agonist activity at high sensitivity and low sensitivity alpha4beta2-nAChR expressed in human SH-EP1 cells by 86Rb+ ion flux assay
50040683	1	ChEMBL_875592 (CHEMBL2184390)	Inhibition of HIF2alpha in human 786-0 cells expressing truncated HIF1alpha assessed as reduction in luciferase activity after 24 hrs by reporter gene assay
50040684	1	ChEMBL_875593 (CHEMBL2184391)	Inhibition of human SIRT2
50040684	2	ChEMBL_875595 (CHEMBL2184393)	Inhibition of full length recombinant human SIRT1 expressed in Escherichia coli BL21 (DE3) PLysS using Fluor-de-Lys as substrate by fluorimetric assay
50040685	1	ChEMBL_875652 (CHEMBL2184883)	Binding affinity to CCR1
50040685	2	ChEMBL_875618 (CHEMBL2184849)	Binding affinity to CXCR4
50040685	3	ChEMBL_875617 (CHEMBL2184848)	Binding affinity to CXCR3
50040685	4	ChEMBL_875622 (CHEMBL2184853)	Binding affinity to CXCR2
50040685	5	ChEMBL_875623 (CHEMBL2184854)	Binding affinity to CXCR1
50040685	6	ChEMBL_875619 (CHEMBL2184850)	Antagonist activity at CXCR2 assessed as inhibition of CXCL8-induced neutrophil chemotaxis
50040685	7	ChEMBL_875620 (CHEMBL2184851)	Antagonist activity at CXCR2 assessed as inhibition of neutrophil shape change
50040685	8	ChEMBL_875621 (CHEMBL2184852)	Antagonist activity at CXCR2 assessed as inhibition of neutrophil CD11b up-regulation
50040685	9	ChEMBL_875624 (CHEMBL2184855)	Antagonist activity at CXCR1 assessed as inhibition of CXCL8 binding by cell based assay
50040685	11	ChEMBL_875646 (CHEMBL2184877)	Binding affinity to CCR9
50040685	14	ChEMBL_875647 (CHEMBL2184878)	Binding affinity to CCR5
50040685	15	ChEMBL_875650 (CHEMBL2184881)	Binding affinity to CCR2
50040685	16	ChEMBL_875653 (CHEMBL2184884)	Binding affinity to muscarinic M2 receptor
50040685	17	ChEMBL_875649 (CHEMBL2184880)	Binding affinity to CCR4
50040685	18	ChEMBL_875630 (CHEMBL2184861)	Binding affinity to histamine H1 receptor
50040685	19	ChEMBL_875631 (CHEMBL2184862)	Antagonist activity at CCR3 assessed as inhibition of eotaxin binding
50040685	20	ChEMBL_875648 (CHEMBL2184879)	Binding affinity to CCR3
50040685	21	ChEMBL_875632 (CHEMBL2184863)	Inhibition of human ERG
50040685	22	ChEMBL_875635 (CHEMBL2184866)	Inhibition of CYP2D6
50040685	24	ChEMBL_875636 (CHEMBL2184867)	Antagonist activity at CCR1
50040685	26	ChEMBL_875644 (CHEMBL2184875)	Binding affinity to mouse CCR1 by radioligand binding assay
50040685	27	ChEMBL_875645 (CHEMBL2184876)	Binding affinity to human CCR1 by radioligand binding assay
50040685	28	ChEMBL_875611 (CHEMBL2184409)	Binding affinity to TXA2 receptor receptor
50040685	29	ChEMBL_875612 (CHEMBL2184410)	Binding affinity to ETA receptor
50040685	30	ChEMBL_875613 (CHEMBL2184411)	Binding affinity to AT1 receptor
50040686	1	ChEMBL_875864 (CHEMBL2187602)	Transactivation of GAL4-fused PPARgamma ligand binding domain transfected in human HepG2 cells by luciferase reporter gene assay
50001335	7	ChEMBL_1715974 (CHEMBL4130974)	Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human Ramos cells after 4 hrs by chemiluminescence assay
50040687	2	ChEMBL_875897 (CHEMBL2187635)	Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluorescence labeled substrate after 60 mins by fluorescence polarization assay in presence of ATP
50040687	3	ChEMBL_875914 (CHEMBL2188027)	Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluorescence labeled Crosstide as substrate after 60 mins by fluorescence polarization assay in presence of ATP
50040687	4	ChEMBL_875912 (CHEMBL2188025)	Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt2 expressed in recombinant baculovirus system using fluorescence labeled substrate after 60 mins by fluorescence polarization assay in presence of ATP
50001335	6	ChEMBL_1715973 (CHEMBL4130973)	Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human MOLM13 cells after 4 hrs by chemiluminescence assay
50040688	1	ChEMBL_876141 (CHEMBL2183535)	Positive ago-allosteric modulation of GLP2R overexpressed in human SE302 cells assessed as placental alkaline phosphatase activation measured on day 3 by Alamar Blue assay
50040689	2	ChEMBL_876348 (CHEMBL2185822)	Inhibition of Leishmania major PTR1 by spectrophotometric assay
50040689	3	ChEMBL_876162 (CHEMBL2183556)	Inhibition of human TS by spectrophotometric analysis
50040690	1	ChEMBL_876373 (CHEMBL2186306)	Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay
50040690	2	ChEMBL_876370 (CHEMBL2186303)	Inhibition of PI3Kalpha assessed as reduction in PIP3 formation after 30 mins by fluorescence polarization assay
50040690	3	ChEMBL_876363 (CHEMBL2185837)	Inhibition of PI3Kalpha in human PC3 cells assessed as reduction in pAKT level by immunoblotting method
50040691	3	ChEMBL_872722 (CHEMBL2185135)	Inhibition of human IMPDH 2
50040692	1	ChEMBL_872732 (CHEMBL2185145)	Inhibition of human placental aromatase using [3H]-1beta-androstenedione as substrate after 16 hrs by [3H]-water method
50040693	1	ChEMBL_872749 (CHEMBL2185574)	Inhibition of p38alpha MAPK
50040694	2	ChEMBL_872754 (CHEMBL2185579)	Inhibition of human cathepsin D
50040694	3	ChEMBL_872753 (CHEMBL2185578)	Inhibition of recombinant BACE2
50001335	9	ChEMBL_1715975 (CHEMBL4130975)	Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human Pfeiffer cells after 4 hrs by chemiluminescence assay
50040695	1	ChEMBL_872778 (CHEMBL2185603)	Inhibition of matrix metalloprotease activated Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 hrs with antigen measured after 48 hrs by MTT assay in presence of FP59
50040695	2	ChEMBL_872963 (CHEMBL2187863)	Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1080 cells compound co-treated for 5 hrs with antigen measured after 48 hrs by MTT assay in presence of FP59
50040695	3	ChEMBL_872964 (CHEMBL2187864)	Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen measured after 48 hrs by MTT assay in presence of FP59
50040695	4	ChEMBL_872965 (CHEMBL2187865)	Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW264.7 cells compound co-treated for 5 hrs with antigen by MTT assay in presence of lethal factor
50040696	1	ChEMBL_872981 (CHEMBL2188275)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay
50040696	2	ChEMBL_872977 (CHEMBL2188271)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay
50040696	3	ChEMBL_872978 (CHEMBL2188272)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of heat-induced activity after 5 mins by FLIPR assay
50040696	4	ChEMBL_872980 (CHEMBL2188274)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH-induced activity by FLIPR assay
50040697	1	ChEMBL_872985 (CHEMBL2188279)	Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membranes
50040697	2	ChEMBL_872986 (CHEMBL2188280)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes
50040697	3	ChEMBL_872983 (CHEMBL2188277)	Agonist activity at mu opioid receptor in Wistar rat brain membranes after 60 mins by [35S]GTPgammaS binding assay
50040698	1	ChEMBL_873515 (CHEMBL2187017)	Antagonist activity at CRF1 receptor in human IMR32 cells assessed as inhibition of CRF-induced intracellular cAMP accumulation after 30 mins by immunoassay
50040698	2	ChEMBL_873514 (CHEMBL2187016)	Antagonist activity at human CRF2 receptor assessed as inhibition of CRF-induced intracellular cAMP accumulation
50040698	3	ChEMBL_873519 (CHEMBL2187021)	Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by scintillation proximity assay
50001336	1	ChEBML_1716013	Inhibition of PARP1 (unknown origin) by ELISA
50040700	1	ChEMBL_874213 (CHEMBL2187945)	Inhibition of human recombinant MAOB assessed as H2O2 production by Amplex Red reagent-based assay
50040700	2	ChEMBL_874212 (CHEMBL2187944)	Inhibition of human recombinant MAOA assessed as H2O2 production by Amplex Red reagent-based assay
50040701	1	ChEMBL_874477 (CHEMBL2184800)	Irreversible inhibition of inducible 20S proteasome subunit beta5i chymotrypsin-like activity in human WM cells using suc-LLVY-amc as substrate after 2 hrs by fluorescence assay
50040701	2	ChEMBL_874478 (CHEMBL2184801)	Irreversible inhibition of constitutive 20S proteasome subunit beta5 chymotrypsin-like activity in human WM cells using suc-LLVY-amc as substrate after 2 hrs by fluorescence assay
50040701	3	ChEMBL_874479 (CHEMBL2184802)	Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay
50040701	4	ChEMBL_874480 (CHEMBL2184803)	Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay
50040701	5	ChEMBL_874481 (CHEMBL2184804)	Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta5 after 30 mins by fluorogenic assay
50001333	1	ChEBML_1716148	Inhibition of CDK2 (unknown origin) by CDKN2A antibody-based spectrophotometry
50001337	1	ChEBML_1716252	Inhibition of recombinant ovine COX2 catalytic activity using arachidonic acid as substrate preincubated for 5 mins followed by substrate and hemin addition measured after 2 mins by colorimetric method
50001337	2	ChEBML_1716251	Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate preincubated for 5 mins followed by substrate and hemin addition measured after 2 mins by colorimetric method
50001338	1	ChEBML_1716304	Inhibition of recombinant human His-tagged EGFR (1 to 645 residues) expressed in HEK293 cells using Tyr66-biotinylated PTP1B peptide as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr by ELISA
50001339	1	ChEBML_1716369	Inhibition of SQS in rat microsomes using [3H]-FPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by scintillation counting
50001340	1	ChEBML_1716383	Inhibition of human full length NPP3 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50001340	2	ChEBML_1716384	Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	3	ChEBML_1716382	Inhibition of human full length NPP1 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50001340	4	ChEBML_1716387	Inhibition of human NTPDase8 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	5	ChEBML_1716385	Inhibition of human NTPDase2 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	6	ChEBML_1716386	Inhibition of human NTPDase3 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50040703	1	ChEMBL_874713 (CHEMBL2187569)	Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay
50040703	2	ChEMBL_874712 (CHEMBL2187568)	Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay
50040704	1	ChEMBL_874724 (CHEMBL2187957)	Binding affinity to PDE7A1 catalytic domain (130 to 482 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	3	ChEMBL_874726 (CHEMBL2187959)	Binding affinity to PDE4D2 catalytic domain (86 to 413 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	4	ChEMBL_874727 (CHEMBL2187960)	Binding affinity to PDE3A (679 to 1087 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	5	ChEMBL_874728 (CHEMBL2187961)	Binding affinity to PDE2A (580 to 941 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	6	ChEMBL_874729 (CHEMBL2187962)	Binding affinity to PDE1B catalytic domain (1 to 516 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	7	ChEMBL_874730 (CHEMBL2187963)	Binding affinity to PDE9A2 catalytic domain (181 to 506 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	8	ChEMBL_874722 (CHEMBL2187955)	Binding affinity to human PDE10A2 catalytic domain (448 to 789 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040704	9	ChEMBL_874723 (CHEMBL2187956)	Binding affinity to PDE8A1 catalytic domain (480 to 820 amino acid residues) using [3H]cGMP as substrate after 15 mins by liquid scintillation counter
50040705	1	ChEMBL_874756 (CHEMBL2188370)	Inhibition of TTK
50040705	2	ChEMBL_874767 (CHEMBL2188381)	Inhibition of autophosphorylation of LRRK2 in human HEK293 cells
50040705	3	ChEMBL_874769 (CHEMBL2188383)	Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay
50040706	3	ChEMBL_874983 (CHEMBL2183859)	Inhibition of CYP3A4
50040706	4	ChEMBL_874982 (CHEMBL2183858)	Inhibition of CYP2D6
50040706	5	ChEMBL_874770 (CHEMBL2188384)	Inhibition of CYP2D6 preincubated with substrate
50040706	7	ChEMBL_874946 (CHEMBL2183472)	Inhibition of CYP3A4 preincubated with substrate
50040706	9	ChEMBL_874948 (CHEMBL2183474)	Inhibition of CYP2C9 preincubated with substrate
50040707	1	ChEMBL_874988 (CHEMBL2183864)	Inhibition of Plasmodium falciparum ODCase by isothermal titration calorimetry
50040707	3	ChEMBL_874990 (CHEMBL2183866)	Inhibition of Methanobacterium thermoautotrophicum ODCase by isothermal titration calorimetry
50040708	3	ChEMBL_874995 (CHEMBL2183871)	Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting
50040708	5	ChEMBL_874997 (CHEMBL2183873)	Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting
50040709	1	ChEMBL_875217 (CHEMBL2186700)	Binding affinity to GSK3A
50040709	2	ChEMBL_875218 (CHEMBL2186701)	Binding affinity to TAOK1
50040709	3	ChEMBL_875220 (CHEMBL2186703)	Binding affinity to CLK2
50040709	4	ChEMBL_875219 (CHEMBL2186702)	Binding affinity to DYRK1B
50040709	5	ChEMBL_875221 (CHEMBL2186704)	Binding affinity to HIPK3
50040709	6	ChEMBL_875222 (CHEMBL2186705)	Binding affinity to IRAK1
50040709	7	ChEMBL_875223 (CHEMBL2186706)	Binding affinity to CLK3
50040709	8	ChEMBL_875224 (CHEMBL2186707)	Binding affinity to HIPK1
50040709	9	ChEMBL_875226 (CHEMBL2186709)	Binding affinity to DYRK2
50040709	10	ChEMBL_875225 (CHEMBL2186708)	Binding affinity to CLK1
50040709	11	ChEMBL_875227 (CHEMBL2186710)	Binding affinity to DYRK1A
50040709	12	ChEMBL_875228 (CHEMBL2186711)	Binding affinity to CLK4
50040709	13	ChEMBL_875243 (CHEMBL2187125)	Inhibition of human recombinant PIM1 expressed in Escherichia coli using histone H1 as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	14	ChEMBL_875245 (CHEMBL2187127)	Inhibition of human recombinant GSK3beta expressed in insect cells using YRRAAVPPSPSLSRHSSPHQ-phosphoS-EDEEE as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	15	ChEMBL_875246 (CHEMBL2187128)	Inhibition of human recombinant GSK3alpha expressed in insect cells using YRRAAVPPSPSLSRHSSPHQ-phosphoS-EDEEE as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	16	ChEMBL_875247 (CHEMBL2187129)	Inhibition of rat recombinant ERK2 using Ets1 as substrate and [gamma33P]ATP as substrate after 30 mins by scintillation counting
50040709	17	ChEMBL_875248 (CHEMBL2187130)	Inhibition of human recombinant GST-tagged DYRK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	18	ChEMBL_875249 (CHEMBL2187131)	Inhibition of human recombinant GST-tagged DYRK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	19	ChEMBL_875250 (CHEMBL2187132)	Inhibition of human recombinant GST-tagged DYRK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	20	ChEMBL_875251 (CHEMBL2187133)	Inhibition of human recombinant GST-tagged DYRK1B expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	21	ChEMBL_875252 (CHEMBL2187134)	Inhibition of human recombinant C-terminal truncated GST-tagged DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	22	ChEMBL_875426 (CHEMBL2182293)	Inhibition of human recombinant full length GST-tagged DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	23	ChEMBL_875427 (CHEMBL2182294)	Inhibition of rat DYRK1A isolated from brain using KKISGRLSPIMTEQ as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	24	ChEMBL_875428 (CHEMBL2182295)	Inhibition of rat recombinant C-terminal truncated GST-tagged DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	25	ChEMBL_875429 (CHEMBL2182296)	Inhibition of mouse recombinant GST-tagged CLK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	26	ChEMBL_875430 (CHEMBL2182297)	Inhibition of mouse recombinant GST-tagged CLK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	27	ChEMBL_875431 (CHEMBL2182298)	Inhibition of mouse recombinant GST-tagged CLK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	28	ChEMBL_875435 (CHEMBL2182302)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cell using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	29	ChEMBL_875436 (CHEMBL2182303)	Inhibition of human recombinant CDK7/cyclin H expressed in insect cell using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	30	ChEMBL_875437 (CHEMBL2182304)	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040709	31	ChEMBL_875445 (CHEMBL2182312)	Inhibition of mouse recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate and [gamma33P]ATP after 30 mins by scintillation counting
50040710	1	ChEMBL_875685 (CHEMBL2185328)	Displacement of [3H]astemizole from human ERG by microbeta scintillation counting
50040710	2	ChEMBL_875717 (CHEMBL2185769)	Binding affinity to dopamine transporter
50040710	3	ChEMBL_875718 (CHEMBL2185770)	Binding affinity to SERT
50040710	4	ChEMBL_875719 (CHEMBL2185771)	Binding affinity to adrenergic alpha1B receptor
50040710	5	ChEMBL_875720 (CHEMBL2185772)	Binding affinity to histamine H1 receptor
50040710	6	ChEMBL_875721 (CHEMBL2185773)	Binding affinity to dopamine D2 receptor
50040710	7	ChEMBL_875722 (CHEMBL2185774)	Binding affinity to 5HT7 receptor
50040710	8	ChEMBL_875723 (CHEMBL2185775)	Binding affinity to 5HT2C receptor
50040710	9	ChEMBL_875724 (CHEMBL2185776)	Binding affinity to 5HT2A receptor
50040710	10	ChEMBL_875919 (CHEMBL2188032)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS/MS analysis in presence of NADPH
50040710	11	ChEMBL_875713 (CHEMBL2185765)	Binding affinity to 5HT1A receptor
50040710	12	ChEMBL_875715 (CHEMBL2185767)	Binding affinity to 5HT3 receptor
50040710	13	ChEMBL_875714 (CHEMBL2185766)	Binding affinity to 5HT4 receptor
50040710	14	ChEMBL_875716 (CHEMBL2185768)	Binding affinity to NOR transporter
50040710	15	ChEMBL_875916 (CHEMBL2188029)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins by LC-MS/MS analysis in presence of NADPH
50040711	1	ChEMBL_875948 (CHEMBL2188454)	Inhibition of HDAC11
50040711	2	ChEMBL_875949 (CHEMBL2188455)	Inhibition of HDAC10
50040711	3	ChEMBL_875951 (CHEMBL2188457)	Inhibition of HDAC9
50040711	4	ChEMBL_875950 (CHEMBL2188456)	Inhibition of HDAC8
50040711	5	ChEMBL_875952 (CHEMBL2188458)	Inhibition of HDAC7
50040711	6	ChEMBL_875954 (CHEMBL2188460)	Inhibition of HDAC5
50040711	7	ChEMBL_875953 (CHEMBL2188459)	Inhibition of HDAC4
50040711	8	ChEMBL_875955 (CHEMBL2188461)	Inhibition of HDAC3
50040711	9	ChEMBL_875956 (CHEMBL2188462)	Inhibition of HDAC2
50040711	10	ChEMBL_875958 (CHEMBL2188464)	Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate
50040711	11	ChEMBL_875959 (CHEMBL2188465)	Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate
50040712	1	ChEMBL_875982 (CHEMBL2188488)	Inhibition of radioligand binding to human dopamine D1 receptor
50040712	2	ChEMBL_875983 (CHEMBL2188489)	Inhibition of CYP3A4 in human liver microsomes
50040712	3	ChEMBL_875984 (CHEMBL2188490)	Inhibition of CYP1A2 in human liver microsomes
50040712	4	ChEMBL_876164 (CHEMBL2183558)	Inhibition of radioligand binding to human histamine H1 receptor
50040712	5	ChEMBL_876166 (CHEMBL2183560)	Inhibition of CYP2C9 in human liver microsomes
50040712	6	ChEMBL_876165 (CHEMBL2183559)	Inhibition of radioligand binding to human adrenergic alpha1d receptor
50040712	7	ChEMBL_876167 (CHEMBL2183561)	Inhibition of radioligand binding to human adrenergic alpha1a receptor
50040712	8	ChEMBL_876237 (CHEMBL2184422)	Positive allosteric modulation activity at rat mGlu2R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50040712	9	ChEMBL_876226 (CHEMBL2183982)	Agonist activity at rat mGlu8R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50040712	10	ChEMBL_876228 (CHEMBL2184413)	Agonist activity at rat mGlu6R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50040712	11	ChEMBL_876229 (CHEMBL2184414)	Agonist activity at rat mGlu5R expressed in HEK293 cells co-expressing GIRK channels by calcium flux assay
50040712	12	ChEMBL_876230 (CHEMBL2184415)	Agonist activity at rat mGlu4R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50040712	13	ChEMBL_876231 (CHEMBL2184416)	Agonist activity at rat mGlu3R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50040712	14	ChEMBL_876232 (CHEMBL2184417)	Agonist activity at rat mGlu1R expressed in HEK293 cells co-expressing GIRK channels by calcium flux assay
50040712	15	ChEMBL_876227 (CHEMBL2184412)	Agonist activity at rat mGlu7R expressed in HEK293 cells co-expressing GIRK channels by thallium flux assay
50001340	7	ChEBML_1716386	Inhibition of human NTPDase3 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	8	ChEBML_1716385	Inhibition of human NTPDase2 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	9	ChEBML_1716387	Inhibition of human NTPDase8 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001340	10	ChEBML_1716383	Inhibition of human full length NPP3 expressed in African green monkey COS7 cell membrane fraction using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50001340	11	ChEBML_1716384	Inhibition of human NTPDase1 expressed in African green monkey COS7 cell membrane fraction using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50001341	1	ChEBML_1716392	Antagonist activity at His6-tagged ERRalpha LBD (unknown origin) assessed as inhibition of GST-tagged SRC-2 co-activator peptide recruitment after 18 hrs by TR-FRET assay
50001341	2	ChEBML_1716405	Inhibition of fluormone ES2 green binding to recombinant full length human ERalpha expressed in insect cells by fluorescence polarization assay
50001341	3	ChEMBL_1716412 (CHEMBL4131412)	Agonist activity at recombinant GST-tagged human RXRalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	4	ChEBML_1716421	Antagonist activity at ERRgamma (unknown origin) assessed as inhibition of co-activator peptide recruitment by TR-FRET assay
50040713	4	ChEMBL_876444 (CHEMBL2187196)	Binding affinity to kappa opioid receptor by radioligand binding assay
50040713	5	ChEMBL_876445 (CHEMBL2187197)	Binding affinity to mu opioid receptor by radioligand binding assay
50001341	5	ChEMBL_1716410 (CHEMBL4131410)	Agonist activity at recombinant GST-tagged human LXRalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	6	ChEBML_1716406	Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assay
50040713	7	ChEMBL_876449 (CHEMBL2187201)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis
50001341	20	ChEMBL_1716395 (CHEMBL4131395)	Displacement of [3H]astemizole from human ERG
50001341	8	ChEBML_1716415	Antagonist activity at recombinant GST-tagged human PPARdelta LBD assessed as inhibition of GW0742-induced fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50040713	8	ChEMBL_876436 (CHEMBL2186797)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis
50001341	9	ChEBML_1716419	Antagonist activity at recombinant GST-tagged human RXRbeta LBD assessed as inhibition of all-trans-retinoic acid-induced fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	7	ChEMBL_1716409 (CHEMBL4131409)	Agonist activity at recombinant GST-tagged human PPARdelta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	11	ChEBML_1716407	Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assay
50001341	12	ChEMBL_1716408 (CHEMBL4131408)	Agonist activity at recombinant GST-tagged human PPARalpha LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	21	ChEMBL_1716416 (CHEMBL4131416)	Antagonist activity at recombinant GST-tagged human LXRalpha LBD assessed as inhibition of TO901317-induced fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	14	ChEBML_1716413	Agonist activity at recombinant GST-tagged human RARbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50040714	1	ChEMBL_872808 (CHEMBL2186067)	Inhibition of human BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay
50040714	2	ChEMBL_872803 (CHEMBL2186062)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50001341	22	ChEMBL_1716418 (CHEMBL4131418)	Antagonist activity at recombinant GST-tagged human RXRalpha LBD assessed as inhibition of 9-cis-retinoic acid-induced fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	16	ChEBML_1716411	Agonist activity at recombinant GST-tagged human LXRbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	23	ChEMBL_1716414 (CHEMBL4131414)	Antagonist activity at recombinant GST-tagged human PPARalpha LBD assessed as inhibition of GW7647-induced fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	18	ChEBML_1716420	Antagonist activity at recombinant GST-tagged human ERRbeta LBD assessed as inhibition of fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001341	13	ChEMBL_1716411 (CHEMBL4131411)	Agonist activity at recombinant GST-tagged human LXRbeta LBD assessed as fluorescein-labeled coactivator peptide recruitment preincubated with enzyme followed by coactivator addition by LanthaScreen TR-FRET assay
50001342	1	ChEBML_1716851	Displacement of [125I]-Tyr0-sauvagine from human CRFR1 expressed in HEK293 cell membrane homogenates after 120 mins by gamma counting method
50001342	2	ChEMBL_1716852 (CHEMBL4131852)	Antagonist activity at human CRFR1 expressed in HEK293 cells assessed as inhibition of sauvagine-induced cAMP accumulation by measuring sauvagine EC50 at 1 uM after 30 mins (Rvb = 0.203 nM)
50001344	1	ChEBML_1716862	Inhibition of human GST-tagged c-MET preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by Hot-SpotSM kinase assay
50001344	2	ChEBML_1716856	Inhibition of recombinant human full length VEGFR2 using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	3	ChEMBL_1716861 (CHEMBL4131861)	Inhibition of recombinant human full length FLT3 using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	4	ChEMBL_1716855 (CHEMBL4131855)	Inhibition of recombinant human full length c-MET using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	5	ChEBML_1716857	Inhibition of recombinant human full length KIT using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	6	ChEBML_1716858	Inhibition of recombinant human full length RET using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	7	ChEBML_1716860	Inhibition of recombinant human full length TIE2 using poly (Glu, Tyr) as substrate by alpha screen assay
50040715	1	ChEMBL_873308 (CHEMBL2185161)	Inhibition of PDE1C
50040715	2	ChEMBL_873311 (CHEMBL2185164)	Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay
50040715	3	ChEMBL_873289 (CHEMBL2184716)	Inhibition of human DAT
50040715	4	ChEMBL_873269 (CHEMBL2184696)	Inhibition of human ERG
50040716	1	ChEMBL_873320 (CHEMBL2185173)	Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid scintillation counting
50040716	2	ChEMBL_873321 (CHEMBL2185174)	Binding affinity to NAALADase
50040717	1	ChEMBL_873559 (CHEMBL2187476)	Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells
50040717	2	ChEMBL_873560 (CHEMBL2187477)	Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells
50040717	3	ChEMBL_873547 (CHEMBL2187464)	Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells by whole cell voltage clamp based electrophysiology method
50040717	4	ChEMBL_873551 (CHEMBL2187468)	Agonist activity at human alpha4beta2 nAChR low sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR
50040717	5	ChEMBL_873553 (CHEMBL2187470)	Agonist activity at human alpha4beta2 nAChR high sensitivity form expressed in human SH-EP1 cells assessed as increase in calcium flux by FLIPR
50040717	6	ChEMBL_873568 (CHEMBL2187485)	Displacement of [125I]-alpha-Btx from alpha7 nAChR in mouse hippocampal membranes
50040717	7	ChEMBL_873564 (CHEMBL2187481)	Binding affinity to rat alpha7 nAChR
50040717	8	ChEMBL_873563 (CHEMBL2187480)	Binding affinity to rat alpha7 nAChR expressed in Xenopus laevis oocytes
50040717	9	ChEMBL_873561 (CHEMBL2187478)	Agonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50040717	10	ChEMBL_873555 (CHEMBL2187472)	Agonist activity at alpha4beta2 nAChR high sensitivity form
50040717	11	ChEMBL_873556 (CHEMBL2187473)	Agonist activity at alpha4beta2 nAChR low sensitivity form
50001344	8	ChEBML_1716861	Inhibition of recombinant human full length FLT3 using poly (Glu, Tyr) as substrate by alpha screen assay
50001344	9	ChEBML_1716859	Inhibition of recombinant human full length AXL using poly (Glu, Tyr) as substrate by alpha screen assay
50001345	1	ChEBML_1716891	Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting
50001345	2	ChEBML_1716892	Displacement of [3H]-DTG from S2R in human Jurkat cell membranes after 1 hr in presence of (+)-pentazocine by liquid scintillation counting
50001345	3	ChEMBL_1716892 (CHEMBL4131892)	Displacement of [3H]-DTG from S2R in human Jurkat cell membranes after 1 hr in presence of (+)-pentazocine by liquid scintillation counting
50001345	4	ChEMBL_1716891 (CHEMBL4131891)	Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting
50001346	1	ChEBML_1717031	Inhibition of BACE1 (unknown origin)
50001346	2	ChEBML_1717041	Antagonist activity at human GABA-A alpha1 receptor expressed in HEK293 cell membranes assessed as inhibition of GABA-induced response preincubated for 40 mins followed by GABA addition by FLIPR assay
50040719	1	ChEMBL_874795 (CHEMBL2188839)	Displacement of [3H]Ifenprodil from NMDAR-2B in Sprague-Dawley rat frontal cortex homogenates after 2 hrs by liquid scintillation counting
50040719	2	ChEMBL_874797 (CHEMBL2188841)	Inhibition of AChE in Wistar rat brain homogenates using acetylthiocholine iodide and DTNB as substrate after 10 mins by Ellman method
50040720	1	ChEMBL_874806 (CHEMBL2188850)	Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control
50040720	2	ChEMBL_874808 (CHEMBL2188852)	Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control
50040720	3	ChEMBL_874815 (CHEMBL2188859)	Activation of human ERbeta expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control
50040721	1	ChEMBL_875482 (CHEMBL2183123)	Agonist activity at KOR in guinea pig vas deferens
50040721	2	ChEMBL_875483 (CHEMBL2183124)	Agonist activity at MOR in guinea pig vas deferens
50040721	3	ChEMBL_875493 (CHEMBL2183134)	Displacement of [3H]U69593 from KOR in guinea pig brain membrane
50040721	4	ChEMBL_875495 (CHEMBL2183136)	Displacement of [3H]DAMGO from MOR in guinea pig brain membrane
50040722	1	ChEMBL_875514 (CHEMBL2183508)	Inhibition of SOD1 in human erythrocytes by spectrophotometry
50040723	1	ChEMBL_874272 (CHEMBL2188810)	Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay
50040724	1	ChEMBL_875033 (CHEMBL2184351)	Antagonist activity at human 5HT4ER expressed in CHO cells assessed as reduction in cAMP levels
50040724	2	ChEMBL_875038 (CHEMBL2184356)	Inhibition of human ERG
50040724	3	ChEMBL_875037 (CHEMBL2184355)	Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells
50040724	4	ChEMBL_875039 (CHEMBL2184357)	Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells
50040725	1	ChEMBL_875045 (CHEMBL2184363)	Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation counting
50040726	1	ChEMBL_875260 (CHEMBL2187142)	Binding affinity to Escherichia coli FtsZ at 25 degC by fluorescence anisotropy assay
50040726	2	ChEMBL_875256 (CHEMBL2187138)	Binding affinity to Staphylococcus aureus FtsZ expressed in Escherichia coli BL21 (DE3) at 25 degC by fluorescence anisotropy assay
50040727	1	ChEMBL_874011 (CHEMBL2186136)	Inhibition of HDAC1 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	2	ChEMBL_876021 (CHEMBL2188943)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50040727	3	ChEMBL_876023 (CHEMBL2182314)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS method
50040727	4	ChEMBL_876024 (CHEMBL2182315)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS method
50040727	5	ChEMBL_876025 (CHEMBL2182316)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS method
50040727	6	ChEMBL_876027 (CHEMBL2182318)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS method
50040727	7	ChEMBL_876026 (CHEMBL2182317)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS method
50040727	8	ChEMBL_876028 (CHEMBL2182319)	Inhibition of HDAC11 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	9	ChEMBL_876029 (CHEMBL2182320)	Inhibition of HDAC10 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	10	ChEMBL_876030 (CHEMBL2182321)	Inhibition of HDAC9 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	11	ChEMBL_876031 (CHEMBL2182322)	Inhibition of HDAC8 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	12	ChEMBL_876032 (CHEMBL2182323)	Inhibition of HDAC7 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	13	ChEMBL_876033 (CHEMBL2182324)	Inhibition of HDAC6 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	14	ChEMBL_876034 (CHEMBL2182325)	Inhibition of HDAC5 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	15	ChEMBL_876035 (CHEMBL2182326)	Inhibition of HDAC4 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	16	ChEMBL_874013 (CHEMBL2186138)	Inhibition of HDAC3 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040727	17	ChEMBL_874014 (CHEMBL2186139)	Inhibition of HDAC2 using p53 (379 to 382 residues) based fluorogenic peptide substrate
50040728	1	ChEMBL_874075 (CHEMBL2186608)	Inhibition of CYP2D6
50040728	2	ChEMBL_874040 (CHEMBL2186165)	Inhibition of CYP2C19
50040728	3	ChEMBL_874070 (CHEMBL2186603)	Inhibition of JAK2 in human TF1 cells assessed as reduction in STAT5 phosphorylation incubated for 30 mins in presence of human recombinant EPO
50040728	4	ChEMBL_874063 (CHEMBL2186596)	Inhibition of purified JAK2 incubated for 30 mins
50040728	5	ChEMBL_874072 (CHEMBL2186605)	Inhibition of CYP2C9
50040728	6	ChEMBL_874073 (CHEMBL2186606)	Inhibition of CYP3A4
50040728	7	ChEMBL_874035 (CHEMBL2186160)	Time dependent inhibition of CYP3A4
50040728	8	ChEMBL_874028 (CHEMBL2186153)	Inhibition of TRKC
50040728	9	ChEMBL_874029 (CHEMBL2186154)	Inhibition of TRKB
50040728	10	ChEMBL_874030 (CHEMBL2186155)	Inhibition of TRKA
50040728	11	ChEMBL_874032 (CHEMBL2186157)	Inhibition of ROS
50040728	12	ChEMBL_874031 (CHEMBL2186156)	Inhibition of Fyn
50040728	13	ChEMBL_874046 (CHEMBL2186171)	Inhibition of purified TYK2 incubated for 30 mins
50040728	14	ChEMBL_874047 (CHEMBL2186172)	Inhibition of purified JAK3 incubated for 30 mins
50040728	15	ChEMBL_874048 (CHEMBL2186173)	Inhibition of purified JAK1 incubated for 30 mins
50040728	16	ChEMBL_874066 (CHEMBL2186599)	Inhibition of CYP1A2
50040729	1	ChEMBL_874570 (CHEMBL2186206)	Competitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysis
50040729	2	ChEMBL_874566 (CHEMBL2186202)	Antagonist activity at human S1P5R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	3	ChEMBL_874568 (CHEMBL2186204)	Antagonist activity at human S1P3R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	4	ChEMBL_878769 (CHEMBL2183709)	Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	5	ChEMBL_874567 (CHEMBL2186203)	Antagonist activity at human S1P4R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	6	ChEMBL_874569 (CHEMBL2186205)	Antagonist activity at human S1P2R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	7	ChEMBL_874562 (CHEMBL2186198)	Agonist activity at human S1P4R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	8	ChEMBL_874561 (CHEMBL2186197)	Agonist activity at human S1P5R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	9	ChEMBL_874563 (CHEMBL2186199)	Agonist activity at human S1P3R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	10	ChEMBL_874564 (CHEMBL2186200)	Agonist activity at human S1P2R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040729	11	ChEMBL_874565 (CHEMBL2186201)	Agonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
50040730	1	ChEMBL_878772 (CHEMBL2183712)	Inhibition of human MIF
50040730	2	ChEMBL_878773 (CHEMBL2183713)	Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate after 10 mins
50040731	1	ChEMBL_878776 (CHEMBL2183716)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	2	ChEMBL_878775 (CHEMBL2183715)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	3	ChEMBL_878777 (CHEMBL2183717)	Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	4	ChEMBL_878778 (CHEMBL2183718)	Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	5	ChEMBL_878779 (CHEMBL2183719)	Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	6	ChEMBL_878781 (CHEMBL2183721)	Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	7	ChEMBL_878780 (CHEMBL2183720)	Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	8	ChEMBL_878782 (CHEMBL2183722)	Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	9	ChEMBL_878783 (CHEMBL2183723)	Inhibition of human recombinant full length CA6 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	10	ChEMBL_878784 (CHEMBL2183724)	Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	11	ChEMBL_878785 (CHEMBL2183725)	Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	12	ChEMBL_878786 (CHEMBL2183726)	Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	13	ChEMBL_878787 (CHEMBL2183727)	Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	14	ChEMBL_878788 (CHEMBL2183728)	Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040731	15	ChEMBL_878789 (CHEMBL2183729)	Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method
50040732	1	ChEMBL_879037 (CHEMBL2186482)	Positive allosteric modulator activity at human mGlu2R expressed in CHO cells incubated for 30 mins by [35S]GTPgammaS binding assay
50040732	2	ChEMBL_878808 (CHEMBL2184116)	Inhibition of CYP2C19
50040732	3	ChEMBL_879032 (CHEMBL2186477)	Inhibition of CYP2C9
50040732	4	ChEMBL_879033 (CHEMBL2186478)	Inhibition of CYP3A4
50040732	5	ChEMBL_879038 (CHEMBL2186483)	Inhibition of CYP2D6
50040732	6	ChEMBL_878813 (CHEMBL2184121)	Inhibition of CYP1A2
50040732	7	ChEMBL_879004 (CHEMBL2185983)	Binding affinity to human mGlu2R expressed in CHO cells by radioligand binding assay
50040732	8	ChEMBL_879006 (CHEMBL2185985)	Agonist activity at human mGlu2R expressed in CHO cells
50040733	1	ChEMBL_876706 (CHEMBL2183177)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr
50040733	2	ChEMBL_876703 (CHEMBL2182816)	Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP accumulation incubated for 45 mins by TR-FRET method based LANCE cAMP assay
50040733	3	ChEMBL_876705 (CHEMBL2182818)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr
50040733	4	ChEMBL_876702 (CHEMBL2182815)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 45 mins by TR-FRET method based LANCE cAMP assay
50040734	1	ChEMBL_876885 (CHEMBL2184479)	Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincubated for 30 mins before ATP treatment by Fluo-4 AM fluorescence method
50001346	3	ChEMBL_1717010 (CHEMBL4132010)	Agonist activity at ER in human Ishikawa cells assessed as alkaline phosphatase induction after 72 hrs by PNPP substrate based spectophotometric method
50001346	4	ChEBML_1717012	Inhibition of HDAC6 (unknown origin)
50001346	5	ChEBML_1717021	Inhibition of COX2 (unknown origin)
50001346	6	ChEBML_1717029	Inhibition of AChE (unknown origin)
50001346	7	ChEMBL_1717034 (CHEMBL4132034)	Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 40) (unknown origin) after 3 hrs by NaI well counting method
50001346	8	ChEBML_1717037	Inhibition of human placental aldose reductase using glyceraldehyde as substrate in presence of NADPH
50001346	9	ChEMBL_1717005 (CHEMBL4132005)	Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by microbeta scintillation counting method
50001346	10	ChEMBL_1717007 (CHEMBL4132007)	Binding affinity to ERalpha (unknown origin)
50040735	1	ChEMBL_876902 (CHEMBL2184930)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current by whole cell patch clamp assay
50040735	2	ChEMBL_876903 (CHEMBL2184931)	Inhibition of recombinant CYP2D6 expressed in baculovirus-infected insect cells using fluorogeinc substrate
50040735	3	ChEMBL_876904 (CHEMBL2184932)	Inhibition of recombinant CYP2C19 expressed in baculovirus-infected insect cells using fluorogeinc substrate
50040735	4	ChEMBL_876905 (CHEMBL2184933)	Inhibition of recombinant CYP2C9 expressed in baculovirus-infected insect cells using fluorogeinc substrate
50040735	5	ChEMBL_876906 (CHEMBL2184934)	Inhibition of recombinant CYP3A4 expressed in baculovirus-infected insect cells using fluorogeinc substrate
50040735	6	ChEMBL_876907 (CHEMBL2184935)	Displacement of [125I]MIP-1alpha from CCR1 in rat thioglycolate-elicited peritoneal cells incubated for 60 mins
50040735	7	ChEMBL_876908 (CHEMBL2184936)	Displacement of [125I]MIP-1alpha from CCR1 in rabbit PBMCs incubated for 60 mins
50040735	8	ChEMBL_876909 (CHEMBL2184937)	Displacement of [125I]MIP-1alpha from CCR1 in mouse WEHI 274.1 cells incubated for 60 mins
50040735	9	ChEMBL_876913 (CHEMBL2184941)	Displacement of [125I]MIP-1beta from human CCR5 expressed in HT1080 cells by scintillation counting
50040735	10	ChEMBL_876914 (CHEMBL2184942)	Displacement of [125I]eotaxin from human CCR3 expressed in CHO CCR3/2 chimeric cells by scintillation counting
50040735	11	ChEMBL_876915 (CHEMBL2184943)	Displacement of [125I]MCP1 from CCR2 in human THP1 cells
50040735	12	ChEMBL_876916 (CHEMBL2184944)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis incubated for 60 mins at 37 degC
50001346	11	ChEBML_1717008	Binding affinity to ERbeta (unknown origin)
50001346	13	ChEBML_1717030	Inhibition of BuChE (unknown origin)
50040736	1	ChEMBL_877089 (CHEMBL2186825)	Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr by spectrophotometry
50040736	2	ChEMBL_877077 (CHEMBL2186813)	Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr using varying dUMP levels by spectrophotometry based Lineweaver-Burk method
50040736	3	ChEMBL_877078 (CHEMBL2186814)	Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr using varying mTHF levels by spectrophotometry based Lineweaver-Burk method
50040737	1	ChEMBL_877094 (CHEMBL2186830)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells
50040737	2	ChEMBL_877096 (CHEMBL2186832)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain homogenates
50040737	3	ChEMBL_877097 (CHEMBL2186833)	Inhibition of recombinant human hexahistidine-tagged MGL expressed in Escherichia coli using AHMMCE as substrate after 15 mins by medium throughput fluorescent assay
50040738	1	ChEMBL_877122 (CHEMBL2187245)	Agonist activity at alpha3 nAchR in human SH-SY5Y cells assessed as stimulation of calcium flux by FLIPR
50040738	2	ChEMBL_877121 (CHEMBL2187244)	Agonist activity at human 5HT3R expressed in HEK293 cells assessed as stimulation of calcium flux by FLIPR
50040738	3	ChEMBL_877124 (CHEMBL2187247)	Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells assessed as stimulation of calcium flux by FLIPR
50040738	4	ChEMBL_877119 (CHEMBL2187242)	Inhibition of human ERG expressed in CHO cells
50040738	5	ChEMBL_877113 (CHEMBL2187236)	Agonist activity at rat alpha7 nAchR expressed in rat GH4C1 cells by patch clamp assay
50040738	6	ChEMBL_877112 (CHEMBL2187235)	Agonist activity at human alpha7 nAchR by patch clamp assay
50040738	7	ChEMBL_877114 (CHEMBL2187237)	Displacement of [3H]-epibatidine from rat alpha7 nAchR expressed in rat GH4C1 cell membranes
50001346	12	ChEMBL_1717009 (CHEMBL4132009)	Antagonist activity at ER in human MCF7 cells assessed as inhibition of 17beta-estradiol-induced cell proliferation
50040739	2	ChEMBL_877314 (CHEMBL2188996)	Inhibition of human recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting
50001346	18	ChEMBL_1717011 (CHEMBL4132011)	Antagonist activity at ER in human Ishikawa cells assessed as inhibition of E2-induced alkaline phosphatase induction after 72 hrs by PNPP substrate based spectophotometric method
50001346	15	ChEBML_1717040	Antagonist activity at human GABA-A alpha5 receptor expressed in HEK293 cell membranes assessed as inhibition of GABA-induced response preincubated for 40 mins followed by GABA addition by FLIPR assay
50001346	19	ChEMBL_1717035 (CHEMBL4132035)	Inhibition of [125I]2-(3'-Iodo-4'-N-methylaminophenyl) benzothiazole binding to amyloid beta (1 to 42) (unknown origin) after 3 hrs by NaI well counting method
50001346	17	ChEBML_1717039	Inhibition of human erythrocytes mu-calpain using SucLeu-Tyr-AMC as substrate
50001347	1	ChEBML_1717129	Inhibition of EGFR1 (unknown origin) after 1 hr in presence of adenosine 5'[gamma-33P]triphosphate by microbeta microplate counting method
50001347	2	ChEBML_1717125	Inhibition of FGFR1 kinase domain (unknown origin) by caliper mobility shift assay
50001348	1	ChEBML_1717211	Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method
50040740	1	ChEMBL_877317 (CHEMBL2188999)	Binding affinity to mouse serum albumin by fluorescence polarization assay
50040740	2	ChEMBL_877319 (CHEMBL2189001)	Binding affinity to human serum albumin by fluorescence polarization assay
50040740	3	ChEMBL_877321 (CHEMBL2189003)	Inhibition of human uPA using H-Glu-Gly-Arg-pNA as substrate after 1 hr in presence of ovalbumin
50040740	4	ChEMBL_877322 (CHEMBL2189004)	Inhibition of human uPA using H-Glu-Gly-Arg-pNA as substrate after 1 hr in presence of bovine serum albumin
50040740	5	ChEMBL_877323 (CHEMBL2189005)	Inhibition of human uPA using H-Glu-Gly-Arg-pNA as substrate after 1 hr in presence of casein and mouse serum albumin
50040740	6	ChEMBL_877324 (CHEMBL2189006)	Inhibition of human uPA using H-Glu-Gly-Arg-pNA as substrate after 1 hr in presence of casein and human serum albumin
50040740	7	ChEMBL_877325 (CHEMBL2189007)	Inhibition of human uPA using H-Glu-Gly-Arg-pNA as substrate after 1 hr in presence of casein
50040740	8	ChEMBL_877328 (CHEMBL2189010)	Inhibition of human uPA
50040741	1	ChEMBL_877494 (CHEMBL2183648)	Inhibition of GSK3beta
50040741	2	ChEMBL_877496 (CHEMBL2183650)	Inhibition of FLT3
50040741	3	ChEMBL_877495 (CHEMBL2183649)	Inhibition of VEGFR2
50040742	1	ChEMBL_877632 (CHEMBL2184996)	Inhibition of N-terminal 6-His tagged full length human 11betaHSD1 incubated for 25 mins by HTRF assay
50040742	2	ChEMBL_877503 (CHEMBL2183657)	Inhibition of 11betaHSD1 in human adipocytes assessed as cortisone to cortisol conversion by scintillation counting method
50040742	3	ChEMBL_877506 (CHEMBL2183660)	Inhibition of N-terminal 6-His tagged full length rat 11betaHSD1 incubated for 25 mins by HTRF assay
50040742	4	ChEMBL_877507 (CHEMBL2184031)	Inhibition of N-terminal 6-His tagged full length mouse 11betaHSD1 incubated for 25 mins by HTRF assay
50040742	5	ChEMBL_877508 (CHEMBL2184032)	Inhibition of human ERG
50040742	6	ChEMBL_877515 (CHEMBL2184039)	Inhibition of 17beta-HSD1 assessed as conversion of estrone to estradiol by scintillation counting method
50040742	7	ChEMBL_877516 (CHEMBL2184040)	Inhibition of 11beta-HSD2 assessed as conversion of cortisol to cortisone by fluorescence based assay
50040743	1	ChEMBL_877649 (CHEMBL2185428)	Displacement of biotinylated-TM PAA from human langerin after 3 hrs by colorimetry
50040743	2	ChEMBL_877650 (CHEMBL2185429)	Displacement of biotinylated-TM PAA from human MMR after 3 hrs by colorimetry
50040743	3	ChEMBL_877660 (CHEMBL2185439)	Displacement of biotinylated-TM PAA from human DLEC after 3 hrs by colorimetry
50040744	1	ChEMBL_877761 (CHEMBL2186859)	Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay
50040744	2	ChEMBL_877760 (CHEMBL2186858)	Inhibition of wild type Bcr-Abl
50040745	1	ChEMBL_877886 (CHEMBL2188143)	Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins
50040746	1	ChEMBL_877904 (CHEMBL2188161)	Antagonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting
50040746	2	ChEMBL_877907 (CHEMBL2188164)	Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as stimulation of 86Rb+ efflux preincubated for 10 mins by liquid scintillation counting
50040746	3	ChEMBL_877909 (CHEMBL2188166)	Binding affinity to alpha4beta2 nAChR
50040746	4	ChEMBL_877916 (CHEMBL2188173)	Binding affinity to alpha4beta2 nAChR by PDSP assay
50040746	5	ChEMBL_877926 (CHEMBL2188602)	Binding affinity to alpha2beta2 nAChR by PDSP assay
50040746	6	ChEMBL_877928 (CHEMBL2188604)	Agonist activity at human alpha7 nAChR
50040746	7	ChEMBL_877930 (CHEMBL2188606)	Agonist activity at human alpha4beta2 nAChR
50040746	8	ChEMBL_877931 (CHEMBL2188607)	Binding affinity to human alpha7 nAChR in human brain
50040746	9	ChEMBL_877933 (CHEMBL2188609)	Binding affinity to alpha4beta2 nAChR in human brain
50040747	1	ChEMBL_878018 (CHEMBL2182444)	Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes by two-electrode voltage-clamp at membrane potential -60 to -80 mV electrophysiology assay
50040747	2	ChEMBL_878019 (CHEMBL2182445)	Antagonist activity at rat GluK1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology assay
50040747	3	ChEMBL_878020 (CHEMBL2182446)	Antagonist activity at rat GluA1 receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology assay
50040747	4	ChEMBL_878021 (CHEMBL2182447)	Antagonist activity at rat glutamate N1/2A receptor expressed in Xenopus oocytes at membrane potential -60 mV by two-electrode voltage-clamp electrophysiology assay
50040748	1	ChEMBL_878023 (CHEMBL2182449)	Binding affinity to human recombinant GST-PRMT1 expressed Escherichia coli BL21 by SPR assay
50040749	1	ChEMBL_878135 (CHEMBL2183680)	Binding affinity to CREBBP by SPR method
50040749	2	ChEMBL_878136 (CHEMBL2183681)	Inhibition of BRD4 isoform 1 by AlphaScreen assay
50040750	1	ChEMBL_878152 (CHEMBL2183697)	Inhibition of radioligand binding to imidazole receptor 1
50040751	1	ChEMBL_878180 (CHEMBL2184101)	Agonist activity at human TLR2 expressed in HEK293 cells assessed as induction of NF-kappaB signaling after 24 hrs by luminescence based luciferase reporter gene assay
50040751	2	ChEMBL_878175 (CHEMBL2184096)	Displacement of Eu-DTPA from human TLR2 expressed in SU.86.86 cells after 1 hr
50040751	3	ChEMBL_878176 (CHEMBL2184097)	Displacement of Eu-DTPA from human TLR2 expressed in HEK293 cells after 1 hr
50040752	1	ChEMBL_878181 (CHEMBL2184102)	Displacement of dofetilide from human ERG
50040752	2	ChEMBL_878238 (CHEMBL2185026)	Inhibition of BTK in presence of 50 uM ATP
50040752	3	ChEMBL_878239 (CHEMBL2185027)	Covalent inhibition of ITK in human whole blood assessed as inhibition of anti-CD3 antibody-stimulated IL2 production pre-incubated before anti-CD3 antibody challenge
50040752	4	ChEMBL_878240 (CHEMBL2185028)	Covalent inhibition of ITK in presence of 5 uM ATP
50040752	5	ChEMBL_878242 (CHEMBL2185030)	Covalent inhibition of ITK in human Jurkat cells assessed as inhibition of anti-CD3 antibody-stimulated PLCgamma phosphorylation pre-incubated before anti-CD3 antibody challenge by Western blotting
50040752	6	ChEMBL_878241 (CHEMBL2185029)	Covalent inhibition of ITK in presence of 1 mM ATP
50040753	1	ChEMBL_878264 (CHEMBL2185469)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells
50040753	2	ChEMBL_878265 (CHEMBL2185470)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells
50040754	1	ChEMBL_878374 (CHEMBL2186467)	Inhibition of VEGFR3
50040754	2	ChEMBL_878375 (CHEMBL2186468)	Inhibition of VEGFR2
50040754	3	ChEMBL_878376 (CHEMBL2186469)	Inhibition of VEGFR1
50040754	4	ChEMBL_878299 (CHEMBL2185927)	Inhibition of FLT3
50040754	5	ChEMBL_878298 (CHEMBL2185926)	Inhibition of RET
50040754	6	ChEMBL_878370 (CHEMBL2186463)	Inhibition of c-Kit
50040754	7	ChEMBL_878300 (CHEMBL2185928)	Inhibition of PDGFRbeta
50040754	8	ChEMBL_878369 (CHEMBL2186462)	Inhibition of FGFR2
50040754	10	ChEMBL_878367 (CHEMBL2186460)	Inhibition of LCK
50040754	11	ChEMBL_878368 (CHEMBL2186461)	Inhibition of c-Raf
50040754	12	ChEMBL_878371 (CHEMBL2186464)	Inhibition of FGFR1
50040754	13	ChEMBL_878372 (CHEMBL2186465)	Inhibition of VEGFR2 phosphorylation in HUVEC
50040754	14	ChEMBL_878373 (CHEMBL2186466)	Inhibition of MET
50040755	2	ChEMBL_878508 (CHEMBL2187793)	Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium
50040755	3	ChEMBL_878388 (CHEMBL2186894)	Activation of PXR
50040755	4	ChEMBL_878389 (CHEMBL2186895)	Inhibition of CYP3A4
50040755	5	ChEMBL_878503 (CHEMBL2187788)	Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 4 mM of potassium
50040756	1	ChEMBL_878513 (CHEMBL2188178)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane
50040756	2	ChEMBL_878514 (CHEMBL2188179)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane
50040756	3	ChEMBL_878515 (CHEMBL2188180)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane
50040756	4	ChEMBL_878512 (CHEMBL2188177)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as NECA-induced adenylate cyclase activity
50040757	1	ChEMBL_878535 (CHEMBL2188200)	Displacement of radioligand from human 5HT4R by Cerep protocol based assay
50040757	2	ChEMBL_878537 (CHEMBL2188202)	Displacement of [3H]GR113808 from human recombinant 5HT4R expressed in HEK293T cells
50040757	3	ChEMBL_878519 (CHEMBL2188184)	Binding affinity to human 5HT7 by Cerep protocol based assay
50040757	4	ChEMBL_878521 (CHEMBL2188186)	Binding affinity to human 5HT6 by Cerep protocol based assay
50040757	5	ChEMBL_878520 (CHEMBL2188185)	Binding affinity to human 5HT5A by Cerep protocol based assay
50040757	6	ChEMBL_878523 (CHEMBL2188188)	Binding affinity to human 5HT3 by Cerep protocol based assay
50040757	7	ChEMBL_878524 (CHEMBL2188189)	Binding affinity to human 5HT2C by Cerep protocol based assay
50040757	8	ChEMBL_878525 (CHEMBL2188190)	Binding affinity to human 5HT2B by Cerep protocol based assay
50040757	9	ChEMBL_878526 (CHEMBL2188191)	Binding affinity to human 5HT2A by Cerep protocol based assay
50040757	10	ChEMBL_878528 (CHEMBL2188193)	Binding affinity to human 5HT1E by Cerep protocol based assay
50040757	11	ChEMBL_878527 (CHEMBL2188192)	Binding affinity to human 5HT1D by Cerep protocol based assay
50040757	12	ChEMBL_878530 (CHEMBL2188195)	Binding affinity to human 5HT1B by Cerep protocol based assay
50040757	13	ChEMBL_878529 (CHEMBL2188194)	Binding affinity to human 5HT1A by Cerep protocol based assay
50040757	14	ChEMBL_878536 (CHEMBL2188201)	Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes
50040757	15	ChEMBL_878532 (CHEMBL2188197)	Inverse agonist activity at human recombinant 5HT4R expressed in HEK293T cells assessed as Gs activation
50040758	1	ChEMBL_878565 (CHEMBL2188650)	Agonist activity at delta opioid receptor in mouse vas deferens
50040758	2	ChEMBL_878566 (CHEMBL2188651)	Agonist activity at mu opioid receptor in guinea pig ileum
50040758	3	ChEMBL_878639 (CHEMBL2189109)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs
50040758	4	ChEMBL_878643 (CHEMBL2182467)	Binding affinity to mu opioid receptor
50040758	5	ChEMBL_878637 (CHEMBL2189107)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig ileum membranes after 2 hrs
50040758	6	ChEMBL_878638 (CHEMBL2189108)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs
50040759	1	ChEMBL_878678 (CHEMBL2182502)	Binding affinity to PDK1
50040759	2	ChEMBL_878675 (CHEMBL2182499)	Increase in thermal stability of PDK1 by differential scanning fluorimetry
50040760	1	ChEMBL_878845 (CHEMBL2184153)	Inhibition of rat intestinal sucrase using sucrose as substrate
50040760	2	ChEMBL_878846 (CHEMBL2184154)	Inhibition of rat intestinal isomaltase using isomaltase as substrate
50040760	3	ChEMBL_878847 (CHEMBL2184155)	Inhibition of rat intestinal maltase using moltose as substrate
50040760	4	ChEMBL_878838 (CHEMBL2184146)	Inhibition of porcine kidney trehalase
50040760	5	ChEMBL_878839 (CHEMBL2184147)	Inhibition of rat intestinal trehalase
50040760	6	ChEMBL_878840 (CHEMBL2184148)	Inhibition of bovine liver beta-galactosidase
50040760	7	ChEMBL_878841 (CHEMBL2184149)	Inhibition of rat intestinal lactase using lactose as substrate
50040760	8	ChEMBL_878842 (CHEMBL2184150)	Inhibition of human beta-glucocerebrosidase
50040760	9	ChEMBL_878843 (CHEMBL2184151)	Inhibition of bovine liver beta-glucosidase
50040760	10	ChEMBL_878682 (CHEMBL2182506)	Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis
50040761	1	ChEMBL_878857 (CHEMBL2184570)	Inhibition of Casein kinase 1 delta
50040761	2	ChEMBL_878858 (CHEMBL2184571)	Inhibition of Casein kinase 1 epsilon
50040762	2	ChEMBL_878874 (CHEMBL2184587)	Agonist activity at kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP-gammaS binding
50040762	3	ChEMBL_878875 (CHEMBL2184588)	Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hr
50001349	1	ChEBML_1717367	Inhibition of PARP1 (unknown origin) assessed as reduction in biotinylated poly(ADP-ribose) incorporation on to histone protein by ELISA based colorimetric assay
50040762	5	ChEMBL_878875 (CHEMBL2184588)	Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hr
50001349	2	ChEBML_1717431	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analysis
50001349	3	ChEBML_1717430	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analysis
50001349	4	ChEBML_1717433	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analysis
50001349	5	ChEBML_1717434	Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analysis
50040762	7	ChEMBL_878883 (CHEMBL2184596)	Displacement of [3H]Naloxone from mu opioid receptor expressed in CHO cells after 1 hr
50001349	6	ChEBML_1717432	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADPH/substrate addition measured after 20 mins by LC-MS/MS analysis
50040763	1	ChEMBL_878902 (CHEMBL2185053)	Inhibition of HDAC1 by fluorometric assay
50040763	2	ChEMBL_878898 (CHEMBL2185049)	Inhibition of HDAC6 by fluorometric assay
50040763	3	ChEMBL_878899 (CHEMBL2185050)	Inhibition of HDAC4 by fluorometric assay
50040763	4	ChEMBL_878900 (CHEMBL2185051)	Inhibition of HDAC8 by fluorometric assay
50040763	5	ChEMBL_878901 (CHEMBL2185052)	Inhibition of HDAC2 by fluorometric assay
50001350	1	ChEBML_1717435	Inhibition of Respiratory syncytial virus Long fusion glycoprotein infected in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 4 days by spectrophotometric analysis
50040764	4	ChEMBL_876547 (CHEMBL2188504)	Inhibition of human recombinant p38gamma by radiometric kinase assay
50040764	5	ChEMBL_876548 (CHEMBL2188505)	Inhibition of human recombinant p38alpha by radiometric kinase assay
50040764	6	ChEMBL_876549 (CHEMBL2188506)	Inhibition of human recombinant WNK1 by radiometric kinase assay
50040764	7	ChEMBL_876550 (CHEMBL2188507)	Inhibition of human recombinant VEGFR2 by radiometric kinase assay
50040764	8	ChEMBL_876552 (CHEMBL2188509)	Inhibition of human recombinant TYK2 by radiometric kinase assay
50040764	9	ChEMBL_876728 (CHEMBL2183199)	Inhibition of human recombinant ROCK2 by radiometric kinase assay
50040764	10	ChEMBL_876554 (CHEMBL2188511)	Inhibition of human recombinant PLK1 by radiometric kinase assay
50040764	11	ChEMBL_876553 (CHEMBL2188510)	Inhibition of human recombinant PKN2 by radiometric kinase assay
50040764	12	ChEMBL_876555 (CHEMBL2188512)	Inhibition of human recombinant PKN1 by radiometric kinase assay
50040764	13	ChEMBL_876556 (CHEMBL2188513)	Inhibition of human recombinant PKCtheta by radiometric kinase assay
50040764	15	ChEMBL_876557 (CHEMBL2188514)	Inhibition of human recombinant PKBalpha by radiometric kinase assay
50040764	16	ChEMBL_876560 (CHEMBL2188517)	Inhibition of human recombinant PIM2 by radiometric kinase assay
50040764	17	ChEMBL_876562 (CHEMBL2188519)	Inhibition of human recombinant PDK1 by radiometric kinase assay
50040764	18	ChEMBL_876561 (CHEMBL2188518)	Inhibition of human recombinant MNK2 by radiometric kinase assay
50040764	19	ChEMBL_876563 (CHEMBL2188520)	Inhibition of human recombinant MNK1 by radiometric kinase assay
50040764	20	ChEMBL_876564 (CHEMBL2188521)	Inhibition of human recombinant MK5 by radiometric kinase assay
50040764	21	ChEMBL_876565 (CHEMBL2188522)	Inhibition of human recombinant MK2 by radiometric kinase assay
50040764	22	ChEMBL_876566 (CHEMBL2188523)	Inhibition of human recombinant JNK2 by radiometric kinase assay
50040764	23	ChEMBL_876567 (CHEMBL2188524)	Inhibition of human recombinant JAK3 by radiometric kinase assay
50040764	24	ChEMBL_876568 (CHEMBL2188525)	Inhibition of human recombinant JAK2 by radiometric kinase assay
50040764	25	ChEMBL_876570 (CHEMBL2188527)	Inhibition of human recombinant JAK1 by radiometric kinase assay
50040764	26	ChEMBL_876569 (CHEMBL2188526)	Inhibition of human recombinant IRAK4 by radiometric kinase assay
50040764	27	ChEMBL_876572 (CHEMBL2188529)	Inhibition of human recombinant GSK3beta by radiometric kinase assay
50040764	28	ChEMBL_876571 (CHEMBL2188528)	Inhibition of human recombinant ERK2 by radiometric kinase assay
50040764	29	ChEMBL_876574 (CHEMBL2188531)	Inhibition of human recombinant COT1 by radiometric kinase assay
50040764	30	ChEMBL_876730 (CHEMBL2183201)	Inhibition of human recombinant SYK by radiometric kinase assay
50040764	31	ChEMBL_876576 (CHEMBL2188533)	Inhibition of human recombinant SRC by radiometric kinase assay
50040764	32	ChEMBL_876729 (CHEMBL2183200)	Inhibition of human recombinant MST1R by radiometric kinase assay
50040764	33	ChEMBL_876577 (CHEMBL2188534)	Inhibition of human recombinant MET by radiometric kinase assay
50040764	34	ChEMBL_876578 (CHEMBL2188535)	Inhibition of human recombinant KIT by radiometric kinase assay
50040764	35	ChEMBL_876579 (CHEMBL2188536)	Inhibition of human recombinant INSR by radiometric kinase assay
50040764	36	ChEMBL_876580 (CHEMBL2188537)	Inhibition of human recombinant IGF1R by radiometric kinase assay
50040764	37	ChEMBL_876581 (CHEMBL2188538)	Inhibition of human recombinant ERBB4 by radiometric kinase assay
50040764	38	ChEMBL_876731 (CHEMBL2183202)	Inhibition of human recombinant ERBB2 by radiometric kinase assay
50040764	40	ChEMBL_876583 (CHEMBL2188540)	Inhibition of human recombinant ALK by radiometric kinase assay
50040764	41	ChEMBL_876584 (CHEMBL2188541)	Inhibition of human recombinant CDK2 by radiometric kinase assay
50001350	2	ChEBML_1717509	Inhibition of CYP1A2 (unknown origin)
50040765	2	ChEMBL_876785 (CHEMBL2183602)	Inhibition of human ACAT1 by liquid scintillography
50040765	3	ChEMBL_876742 (CHEMBL2183213)	Inhibition of PDE10A1 receptor
50040765	4	ChEMBL_876743 (CHEMBL2183214)	Inhibition of muscarinic M2 receptor
50040765	5	ChEMBL_876744 (CHEMBL2183215)	Inhibition of FAAH
50040765	6	ChEMBL_876759 (CHEMBL2183576)	Inhibition of CYP3A4
50040765	7	ChEMBL_876760 (CHEMBL2183577)	Inhibition of CYP2D6
50040765	8	ChEMBL_876761 (CHEMBL2183578)	Inhibition of CYP2C19
50040765	9	ChEMBL_876762 (CHEMBL2183579)	Inhibition of CYP2C9
50040765	10	ChEMBL_876763 (CHEMBL2183580)	Inhibition of CYP1A2
50040765	11	ChEMBL_876764 (CHEMBL2183581)	Inhibition of human ERG
50040765	12	ChEMBL_876767 (CHEMBL2183584)	Inhibition of DGAT1 in dog liver microsomes
50040765	13	ChEMBL_876769 (CHEMBL2183586)	Inhibition of DGAT1 in mouse liver microsomes
50040765	15	ChEMBL_876770 (CHEMBL2183587)	Inhibition of DGAT1 in rat adipose tissue assessed as reduction in triacylglycerol synthesis
50040765	16	ChEMBL_876772 (CHEMBL2183589)	Inhibition of human ACAT2 by liquid scintillography
50040765	17	ChEMBL_876773 (CHEMBL2183590)	Inhibition of human DGAT2 by liquid scintillography
50040765	19	ChEMBL_876774 (CHEMBL2183591)	Inhibition of DGAT1 in human HuTu80 cells
50040766	1	ChEMBL_876938 (CHEMBL2185386)	Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50040766	2	ChEMBL_876939 (CHEMBL2185387)	Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to substrate addition by fluorescence technique
50040766	3	ChEMBL_876940 (CHEMBL2185388)	Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique
50040766	4	ChEMBL_876941 (CHEMBL2185389)	Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate
50040767	1	ChEMBL_877191 (CHEMBL2187699)	Competitive inhibition of human recombinant PACE4 expressed in Drosophila S2 cells using pyroGlu-Arg-Val-Lys-Arg-methyl-coumaryl-7-amide as substrate at pH 6.5 after 60 mins by spectrofluorometric analysis
50040767	2	ChEMBL_877187 (CHEMBL2187695)	Competitive inhibition of human recombinant furin expressed in Drosophila S2 cells using pyroGlu-Arg-Val-Lys-Arg-methyl-coumaryl-7-amide as substrate at pH 7.5 after 60 mins by spectrofluorometric analysis
50040768	1	ChEMBL_877366 (CHEMBL2182411)	Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes
50040768	2	ChEMBL_877368 (CHEMBL2182413)	Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes
50040768	3	ChEMBL_877369 (CHEMBL2182414)	Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay
50040768	4	ChEMBL_877370 (CHEMBL2182415)	Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells
50040768	5	ChEMBL_877364 (CHEMBL2182409)	Inhibition of human 5HT3R
50040768	6	ChEMBL_877362 (CHEMBL2182407)	Inhibition of human ERG expressed in CHO cells by whole cell voltage clamp assay
50040769	1	ChEMBL_877385 (CHEMBL2182430)	Inhibition of TGBR2 signaling in human HEK293T cells assessed as inhibition of SMAD activation after 2 to 22 hrs by dual Luciferase Assay
50040769	2	ChEMBL_877383 (CHEMBL2182428)	Inhibition of TGFBR1
50040770	1	ChEMBL_877393 (CHEMBL2182823)	Inhibition of recombinant soluble epoxide hydrolase using PHOME as substrate after 10 mins by fluorescence assay
50040770	2	ChEMBL_877387 (CHEMBL2182432)	Transactivation of GAL4-fused human PPARdelta ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assay
50040770	3	ChEMBL_877389 (CHEMBL2182819)	Transactivation of GAL4-fused human PPARgamma ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assay
50040770	4	ChEMBL_877388 (CHEMBL2182433)	Transactivation of GAL4-fused human PPARalpha ligand binding domain transfected in african green monkey COS7 cells by luciferase reporter gene assay
50001350	3	ChEBML_1717510	Inhibition of CYP2B6 (unknown origin)
50001350	4	ChEBML_1717512	Inhibition of CYP2D6 (unknown origin)
50001350	8	ChEMBL_1717515 (CHEMBL4132515)	Inhibition of human ERG
50040771	5	ChEMBL_877403 (CHEMBL2182833)	Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells
50040771	6	ChEMBL_877402 (CHEMBL2182832)	Displacement of [3H]YM-09151-2 from human dopamine D2 receptor expressed in CHOp cells
50040771	7	ChEMBL_877404 (CHEMBL2182834)	Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in LHD1 cells
50040771	8	ChEMBL_877405 (CHEMBL2182835)	Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain
50040771	11	ChEMBL_877410 (CHEMBL2182840)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting
50040771	12	ChEMBL_877412 (CHEMBL2182842)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting
50001350	6	ChEBML_1717511	Inhibition of CYP2C9 (unknown origin)
50001350	7	ChEBML_1717513	Inhibition of CYP3A4 (unknown origin)
50040772	1	ChEMBL_877566 (CHEMBL2184501)	Inhibition of human recombinant PDE11A4 at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50040772	2	ChEMBL_877567 (CHEMBL2184502)	Inhibition of human recombinant PDE10A2 at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50040772	3	ChEMBL_877568 (CHEMBL2184503)	Inhibition of human recombinant PDE9A2 at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50040772	4	ChEMBL_877569 (CHEMBL2184504)	Inhibition of human recombinant PDE8A1 at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50040772	5	ChEMBL_877570 (CHEMBL2184505)	Inhibition of human recombinant PDE7A1 at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50040772	6	ChEMBL_877571 (CHEMBL2184506)	Inhibition of human recombinant PDE6C at 1 uM by [3H]cGMP based tritium scintillation proximity assay
50001353	1	ChEBML_1717519	Agonist activity at full length human GLP1R expressed in HEK293 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay
50001353	2	ChEBML_1717520	Agonist activity at human GCGR expressed in HEK293 cells assessed as increase in cAMP accumulation after 20 mins by HTRF assay
50040773	1	ChEMBL_877702 (CHEMBL2185913)	Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta5 receptor after 3 hrs by microplate reader analysis
50040773	2	ChEMBL_877703 (CHEMBL2185914)	Competitive inhibition of biotinylated vitronectin to integrin alphaVbeta3 receptor after 3 hrs by microplate reader analysis
50040774	1	ChEMBL_877712 (CHEMBL2185923)	Inhibition of rat NMDA receptor NR1F/NR2B subunit expressed in Xenopus laevis oocytes after 2 days by two-electrode voltage-clamp electrophysiological assay
50040774	2	ChEMBL_877713 (CHEMBL2186393)	Inhibition of rat NMDA receptor NR1C/NR2B subunit expressed in Xenopus laevis oocytes after 2 days by two-electrode voltage-clamp electrophysiological assay
50040774	3	ChEMBL_877721 (CHEMBL2186401)	Displacement of [3H]ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex after 120 mins
50040775	1	ChEMBL_877808 (CHEMBL2187303)	Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes assessed as reduction in [3H]-chloroquine uptake after 1.5 to 2 hrs
50040775	2	ChEMBL_877724 (CHEMBL2186404)	Inhibition of human ERG expressed in rat after 2 to 3 days by patch clamp assay
50040776	1	ChEMBL_877860 (CHEMBL2187734)	Agonist activity at human TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay
50040776	2	ChEMBL_877859 (CHEMBL2187733)	Agonist activity at mouse TGR5 expressed in HEK293 cells incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay
50040777	1	ChEMBL_877957 (CHEMBL2188633)	Inhibition of human AChE
50040778	1	ChEMBL_877964 (CHEMBL2189030)	Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells
50040778	2	ChEMBL_877963 (CHEMBL2189029)	Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay
50040779	1	ChEMBL_877981 (CHEMBL2189047)	Inhibition of bovine AChE after 120 mins by Ellman's method
50040779	2	ChEMBL_877980 (CHEMBL2189046)	Inhibition of equine BuChE after 120 mins by Ellman's method
50040780	1	ChEMBL_877987 (CHEMBL2189053)	Inhibition of vascular endothelial growth factor receptor 2
50040780	2	ChEMBL_877991 (CHEMBL2189057)	Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis
50040781	1	ChEMBL_878001 (CHEMBL2189067)	Inhibition of human kidney glutaminase (124 to 669) using L-[3H]-glutamine as substrate after 45 mins by GLS assay
50040781	2	ChEMBL_878000 (CHEMBL2189066)	Uncompetitive inhibition of human kidney glutaminase (124 to 669) assessed as reduction of glutamine hydrolysis by double-reciprocal plot analysis
50040781	3	ChEMBL_877992 (CHEMBL2189058)	Inhibition of mouse GLS2 using glutamine as substrate by fluorescence-based GLS assay
50040782	1	ChEMBL_878081 (CHEMBL2183271)	Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 hrs by dual luciferase reporter gene assay
50040783	1	ChEMBL_878086 (CHEMBL2183276)	Inhibition of human recombinant CYP3A4 using benzoylresorufin as substrate after 45 mins by fluorescence assay
50040783	2	ChEMBL_878087 (CHEMBL2183277)	Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence assay
50040783	3	ChEMBL_878109 (CHEMBL2183299)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 15 mins prior to CGRP challenge measured after 30 mins by HTRF assay
50040783	4	ChEMBL_878110 (CHEMBL2183300)	Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysis
50040784	1	ChEMBL_878114 (CHEMBL2183304)	Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric assay
50040785	1	ChEMBL_878466 (CHEMBL2187380)	Inhibition of human 11beta-HSD1 by HTRF assay
50040785	2	ChEMBL_878460 (CHEMBL2187374)	Inhibition of human 17beta-HSD1 by HPLC assay
50040785	3	ChEMBL_878461 (CHEMBL2187375)	Inhibition of human 11beta-HSD2 by HTRF assay
50040785	4	ChEMBL_878462 (CHEMBL2187376)	Inhibition of human 11beta-HSD1 by HPLC assay
50040785	5	ChEMBL_878465 (CHEMBL2187379)	Inhibition of mouse 11beta-HSD1 by HTRF assay
50040786	1	ChEMBL_878600 (CHEMBL2188685)	Binding affinity to Bcl-2 after 30 mins by florescence polarization assay
50040786	2	ChEMBL_878601 (CHEMBL2188686)	Binding affinity to Mcl-1 after 30 mins by florescence polarization assay
50040787	1	ChEMBL_878614 (CHEMBL2189084)	Inhibition of recombinant cathepsin S using ZFR-pNA as substrate preincubated for 45 mins
50040787	2	ChEMBL_878616 (CHEMBL2189086)	Inhibition of recombinant cathepsin L using ZFR-pNA as substrate preincubated for 45 mins
50040787	3	ChEMBL_878619 (CHEMBL2189089)	Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate at 20 uM preincubated for 10 mins before substrate addition
50040787	4	ChEMBL_878617 (CHEMBL2189087)	Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate preincubated for 10 mins before substrate addition
50040788	2	ChEMBL_878748 (CHEMBL2183333)	Inhibition of human erythrocyte carbonic anhydrase-2 assessed as hydrolysis of 4-nitrophenylacetate
50040789	2	ChEMBL_878949 (CHEMBL2185512)	Inhibition of cathepsin E by fluorescence assay
50040789	3	ChEMBL_878950 (CHEMBL2185513)	Inhibition of cathepsin D by fluorescence assay
50001354	1	ChEBML_1717566	Inhibition of recombinant human CETP after 3 hrs using fluorescent cholesteryl containing HDL after 3 hrs by fluorescence assay
50001354	2	ChEBML_1717581	Inhibition of rat liver microsomal ACAT
50001354	3	ChEBML_1717567	Inhibition of porcine pancreatic lipase using 2,3-dimercaptopropan-1-ol tributyrate as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by colorimetric assay
50040790	1	ChEMBL_878956 (CHEMBL2185519)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50040790	2	ChEMBL_878957 (CHEMBL2185520)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50040791	1	ChEMBL_876587 (CHEMBL2188544)	Inhibition of HSP90 using VER-00045864 probe by fluorescence polarization assay
50040792	1	ChEMBL_876604 (CHEMBL2188959)	Inhibition of human ERG expressed in chinese hamster lung cells by IonWorks patch clamp electrophysiology assay
50040793	1	ChEMBL_872310 (CHEMBL2187409)	Agonist activity at human GPR120 expressed in CHO cells assessed as calcium influx after 30 mins by FLIPR assay
50040793	2	ChEMBL_872312 (CHEMBL2187411)	Agonist activity at human GPR43 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen method
50040793	3	ChEMBL_872313 (CHEMBL2187412)	Agonist activity at human GPR41 expressed in 293 cells assessed as cAMP accumulation after 30 mins by Alphascreen method
50040793	4	ChEMBL_872314 (CHEMBL2187413)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO membranes after 90 mins by liquid scintillation counting in presence of 0.2 % BSA
50040793	5	ChEMBL_872315 (CHEMBL2187414)	Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO membranes after 90 mins by liquid scintillation counting in presence of 0.2 % BSA
50040793	6	ChEMBL_872316 (CHEMBL2187415)	Agonist activity at human GPR40 expressed in CHO cells assessed as calcium influx by FLIPR assay in presence of 0.1 % BSA
50040794	1	ChEMBL_872345 (CHEMBL2187816)	Activation of human PXR
50040794	2	ChEMBL_872346 (CHEMBL2187817)	Inhibition of human ERG
50040794	3	ChEMBL_872477 (CHEMBL2182517)	Agonist activity at mouse BRS3 expressed in HEK293 cells expressing aequorin measured for 30 secs by bioluminescence assay
50040794	4	ChEMBL_872478 (CHEMBL2182518)	Agonist activity at human BRS3 expressed in HEK293 cells expressing aequorin measured for 10 mins by bioluminescence assay
50040794	5	ChEMBL_872480 (CHEMBL2182520)	Agonist activity at human BRS3 expressed in HEK293 cells expressing aequorin measured for 30 secs by bioluminescence assay
50040794	6	ChEMBL_872481 (CHEMBL2182521)	Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid scintillation counting
50040795	1	ChEMBL_872359 (CHEMBL2188221)	Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay
50040796	1	ChEMBL_872391 (CHEMBL2188253)	Inhibition of wild type IDH1 using DL-isocitrate as substrate by resazurin-based fluorimetric analysis
50040797	1	ChEMBL_872411 (CHEMBL2188699)	Inhibition of recombinant human complement factor D after 1 hr
50040798	1	ChEMBL_872581 (CHEMBL2183383)	Binding affinity to Mycobacterium tuberculosis Pantothenate synthetase
50040798	2	ChEMBL_872579 (CHEMBL2183381)	Competitive inhibition of Mycobacterium tuberculosis Pantothenate synthetase by ITC method
50040798	3	ChEMBL_872580 (CHEMBL2183382)	Inhibition of Mycobacterium tuberculosis Pantothenate synthetase
50040798	4	ChEMBL_872582 (CHEMBL2183741)	Binding affinity to Mycobacterium tuberculosis Pantothenate synthetase ATP-binding site by ITC method
50040798	5	ChEMBL_872079 (CHEMBL2184195)	Binding affinity to Escherichia coli GyrB
50040799	1	ChEMBL_872622 (CHEMBL2183781)	Inhibition of recombinant TYK2
50040799	2	ChEMBL_872623 (CHEMBL2183782)	Inhibition of recombinant JAK3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay
50040799	3	ChEMBL_872624 (CHEMBL2184200)	Inhibition of recombinant JAK1 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay
50040799	4	ChEMBL_872625 (CHEMBL2184201)	Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay
50040799	5	ChEMBL_872612 (CHEMBL2183771)	Inhibition of CYP2C19 in human liver microsomes assessed as decrease in formation of 4-hydroxymephenytoin from mephenytoin substrate after 60 mins by LC-MS/MS
50040799	6	ChEMBL_872613 (CHEMBL2183772)	Inhibition of CYP2C9 in human liver microsomes assessed as decrease in formation of 4-hydroxytolbutamide from tolbutamide substrate after 60 mins by LC-MS/MS
50040799	7	ChEMBL_872615 (CHEMBL2183774)	Inhibition of CYP1A2 in human liver microsomes assessed as decrease in formation of resorufin from ethoxyresorufin substrate after 5 mins by LC-MS/MS
50040799	8	ChEMBL_872614 (CHEMBL2183773)	Inhibition of CYP2D6 in human liver microsomes assessed as decrease in formation of dextrorphan from dextromethorphan substrate after 30 mins by LC-MS/MS
50040799	9	ChEMBL_872616 (CHEMBL2183775)	Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 1-hydroxymidazolam from midazolam substrate after 5 mins by LC-MS/MS
50040799	10	ChEMBL_872621 (CHEMBL2183780)	Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay
50040800	1	ChEMBL_872166 (CHEMBL2185558)	Competitive inhibition at mouse recombinant SSAT expressed in Escherichia coli strain BL21(DE3)
50040801	1	ChEMBL_876635 (CHEMBL2182360)	Inhibition of human SIRT2 expressed in Escherichia coli using Gln-Pro-Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay
50040801	2	ChEMBL_876636 (CHEMBL2182361)	Inhibition of human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Arg-His- Lys-Lys(Ac) as substrate after 1 hr by Fluor de Lys fluorescence based assay
50040802	1	ChEMBL_877027 (CHEMBL2186352)	Displacement of [11C]-ABP688 from mGlu5 receptor in rat brain homogenates after 1 hr by gamma counting
50040802	2	ChEMBL_877026 (CHEMBL2186351)	Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting
50040803	1	ChEMBL_877066 (CHEMBL2186391)	Inhibition of human recombinant mTOR by FRET assay
50040803	2	ChEMBL_877069 (CHEMBL2186805)	Inhibition of mTOR
50040804	1	ChEMBL_877260 (CHEMBL2188549)	Agonist activity at human GPR119 expressed in MIN6 cells assessed as intracellular cAMP level after 45 mins by ALPHAscreen cAMP assay
50040805	1	ChEMBL_877428 (CHEMBL2183225)	Agonist activity at human GPR119 receptor expressed in CHO-K1 cells co-expressing 6CRE-luciferase gene after 5 hrs by luciferase reporter gene assay
50040805	3	ChEMBL_877280 (CHEMBL2188569)	Inhibition of CYP2C9
50040806	1	ChEMBL_877478 (CHEMBL2183632)	Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay
50040807	1	ChEMBL_877484 (CHEMBL2183638)	Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay
50040808	1	ChEMBL_879401 (CHEMBL2208799)	Inhibition of human CA1 after 15 mins by stopped-flow CO2 hydrase assay
50040808	2	ChEMBL_879404 (CHEMBL2208802)	Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydrase assay
50040808	3	ChEMBL_879403 (CHEMBL2208801)	Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydrase assay
50040808	4	ChEMBL_879402 (CHEMBL2208800)	Inhibition of human CA2 after 15 mins by stopped-flow CO2 hydrase assay
50040809	1	ChEMBL_879520 (CHEMBL2208929)	Inhibition of EGFP-tagged human CXCR4 expressed in HEK293 cells assessed as inhibition of CXCL12-TR binding incubated for 5 mins prior to CXCL12-TR addition by FRET assay
50040810	1	ChEMBL_879539 (CHEMBL2208948)	Inhibition of 17beta-HSD1 in human T47D cells assessed as decrease in transformation of [14C]estrone to [14C]-estradiol after 24 hrs by thin layer chromatography
50040811	1	ChEMBL_879624 (CHEMBL2209156)	Agonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinpirole-induced mitogenesis after 24 hrs
50040811	2	ChEMBL_879622 (CHEMBL2209154)	Displacement of [3H]YM-09151-2 from human cloned dopamine D2 receptor expressed in CHOp cells after 60 mins by scintillation counter
50040811	3	ChEMBL_879571 (CHEMBL2209021)	Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHOp cells after 60 mins by scintillation counter
50040811	4	ChEMBL_879545 (CHEMBL2208954)	Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins
50040812	1	ChEMBL_879765 (CHEMBL2208678)	Displacement of [125I]SS-28 from human SSTR-5 transfected in CHO cells after 90 to 120 mins
50040812	2	ChEMBL_879766 (CHEMBL2208679)	Displacement of [125I]SS-28 from human SSTR-4 transfected in CHO cells after 60 to 90 mins
50040812	3	ChEMBL_879767 (CHEMBL2208680)	Displacement of [125I]SS-14 from human SSTR-2 transfected in CHO cells after 60 to 90 mins
50040812	4	ChEMBL_879768 (CHEMBL2208681)	Displacement of [125I]SS-28 from human SSTR-1 transfected in CHO cells after 60 to 90 mins
50001357	1	ChEBML_1717607	Inhibition of mouse IL-5-induced cell proliferation in mouse Y16 cells after 48 hrs by WST-1 assay relative to control
50040812	6	ChEMBL_879798 (CHEMBL2210526)	Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins
50040812	7	ChEMBL_879794 (CHEMBL2210522)	Displacement of radiolabeled MK-499 from human ERG channel
50040812	9	ChEMBL_879796 (CHEMBL2210524)	Displacement of [125I]SS-28 from mouse SSTR3 transfected in CHO cells after 60 to 90 mins
50040813	1	ChEMBL_879813 (CHEMBL2210541)	Inhibition of APN in human ES2 cell surface assessed as inhibition of L-Leu-p-nitroanilide substrate hydrolysis incubated for 5 mins before substrate addition by UV-Vis spectrophotometric analysis
50001356	1	ChEBML_1717608	Inhibition of recombinant human N-terminal His6-MBP-tagged PSA expressed in Escherichia coli BL21 STAR (DE3) using 4-Ala-MNA as substrate measured for 30 mins by thefluorescence assay
50001356	2	ChEBML_1717610	Inhibition of recombinant human C-terminal His10-tagged APN (Lys69 to Lys967 residues) using Ala-AMC as substrate measured for 30 mins by fluorescence assay
50001359	1	ChEBML_1717632	Inhibition of GSK3beta (unknown origin) using GSM substrate after 30 mins by Kinase-Glo reagent based luminescence assay
50001359	2	ChEBML_1717634	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by thioflavin T-based fluorometric assay
50001359	3	ChEBML_1717644	Inhibition recombinant human TG2 using N-CbzGlu(gamma-p-nitrophenylester)Gly as substrate after 10 mins
50040813	4	ChEMBL_879875 (CHEMBL2211412)	Inhibition of mouse APN
50040813	5	ChEMBL_879811 (CHEMBL2210539)	Inhibition of recombinant MMP-2 using succinylated gelatin as substrate incubated for 10 mins before addition of substrate measured after 60 mins by UV-Vis spectrophotometric analysis
50040814	1	ChEMBL_879888 (CHEMBL2211425)	Inhibition of human MMP12 by FRET reporter assay
50040815	1	ChEMBL_879914 (CHEMBL2211908)	Inhibition of human recombinant SIRT6 assessed as 7-amino-4-methylcoumarin labelled Arg-His-Lys-Lys(epsilon-acetyl) substrate deacetylation after 90 mins by Fluor-de-Lys assay
50040816	1	ChEMBL_880021 (CHEMBL2212933)	Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method
50040816	2	ChEMBL_880017 (CHEMBL2212929)	Inhibition of human Cdk1/cyclin B activity
50040816	3	ChEMBL_880019 (CHEMBL2212931)	Agonist activity at P/Q-type Cav2.1 expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method
50040816	4	ChEMBL_880016 (CHEMBL2212928)	Inhibition of human Cdk5/p35 activity
50040816	5	ChEMBL_880018 (CHEMBL2212930)	Agonist activity at L-type Cav1.3 expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method
50040816	6	ChEMBL_880015 (CHEMBL2212927)	Inhibition of human MLCK
50040816	7	ChEMBL_880014 (CHEMBL2212926)	Inhibition of human MAPK1
50040817	1	ChEMBL_880025 (CHEMBL2212937)	Agonist activity at human cloned dopamine D3 receptor expressed in CHO cells by [35S]GTP gammaS binding assay
50040817	2	ChEMBL_880027 (CHEMBL2213376)	Agonist activity at human cloned dopamine D2 receptor expressed in CHO cells by [35S]GTP gammaS binding assay
50040817	3	ChEMBL_880030 (CHEMBL2213379)	Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK-293 cells by competition binding assay
50040817	4	ChEMBL_880031 (CHEMBL2213380)	Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK-293 cells by competition binding assay
50040818	1	ChEMBL_880055 (CHEMBL2213404)	Inhibition of CYP2C9
50040818	2	ChEMBL_880054 (CHEMBL2213403)	Inhibition of CYP1A2
50040818	3	ChEMBL_880057 (CHEMBL2213406)	Inhibition of PDGFRbeta phosphorylation in human MG63 cells
50040818	4	ChEMBL_880056 (CHEMBL2213405)	Binding affinity to PDGFRbeta expressed in HEK-293 cells
50040818	5	ChEMBL_880058 (CHEMBL2213407)	Binding affinity to PDGFRalpha expressed in HEK-293 cells
50040818	6	ChEMBL_880060 (CHEMBL2213409)	Inhibition of KIT phosphorylation in human H526 cells
50040818	7	ChEMBL_880059 (CHEMBL2213408)	Binding affinity to KIT expressed in HEK-293 cells
50040818	8	ChEMBL_880061 (CHEMBL2213410)	Inhibition of FLT3 phosphorylation in human MV4-11 cells
50040818	9	ChEMBL_880062 (CHEMBL2213411)	Inhibition of M-CSF-induced FK506 -fussed CSF1R phosphorylation expressed in HEK293 cells after 2 hrs by sandwich ELISA
50040818	10	ChEMBL_880068 (CHEMBL2213417)	Inhibition of CSF1R in mouse M-NFS-60 cells assessed as inhibition of cell proliferation after 72 hrs by Celltiter-Blue assay
50040818	11	ChEMBL_880069 (CHEMBL2213418)	Binding affinity to CSF1R expressed in HEK-293 cells after 1 hr
50040818	12	ChEMBL_880070 (CHEMBL2213419)	Binding affinity to FLT3 expressed in HEK-293 cells after 1 hr
50040818	13	ChEMBL_880050 (CHEMBL2213399)	Inhibition of CYP3A4
50040818	14	ChEMBL_880053 (CHEMBL2213402)	Inhibition of CYP2D6
50040818	15	ChEMBL_880052 (CHEMBL2213401)	Inhibition of CYP2C19
50040819	1	ChEMBL_880071 (CHEMBL2213420)	Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins
50040820	1	ChEMBL_880185 (CHEMBL2214887)	Irreversible inhibition of transglutaminase 2
50040820	2	ChEMBL_880180 (CHEMBL2214882)	Inhibition of coagulation factor 13a
50040820	3	ChEMBL_880181 (CHEMBL2214883)	Inhibition of transglutaminase 6
50040820	4	ChEMBL_880182 (CHEMBL2214884)	Inhibition of transglutaminase 3
50040820	5	ChEMBL_880183 (CHEMBL2214885)	Inhibition of transglutaminase 1
50040820	6	ChEMBL_880184 (CHEMBL2214886)	Inhibition of mouse transglutaminase 2
50040821	1	ChEMBL_880288 (CHEMBL2216290)	Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiation of kinase reaction measured after 1 hr by ADP-glo assay
50040822	1	ChEMBL_880322 (CHEMBL2216324)	Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 1 hr by scintillation counting analysis
50040822	2	ChEMBL_880323 (CHEMBL2216325)	Antagonist activity against CCR2 in human THP-1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs
50040822	3	ChEMBL_880324 (CHEMBL2216326)	Displacement of [125I]-MCP-1 from CCR2 in human THP-1 cells after 2 hrs by microplate scintillation and luminescence counter analysis
50040822	4	ChEMBL_880293 (CHEMBL2216295)	Binding affinity to mouse CCR2
50040823	1	ChEMBL_880326 (CHEMBL2216328)	Inhibition of immobilized rhPSGL-Ig binding to soluble P-selectin by surface plasmon resonance competitive binding assay
50040824	1	ChEMBL_880329 (CHEMBL2209184)	Inhibition of human SIRT5 using H3K9 succinyl peptide substrate
50040824	2	ChEMBL_880330 (CHEMBL2209185)	Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay
50040824	3	ChEMBL_880333 (CHEMBL2209188)	Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay
50040824	4	ChEMBL_880332 (CHEMBL2209187)	Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay
50040824	5	ChEMBL_880331 (CHEMBL2209186)	Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay
50040825	1	ChEMBL_880414 (CHEMBL2210097)	Displacement of [3H]tiotidine from human recombinant histamine H2 receptor after 1.5 hrs by microbeta scintillation counting analysis
50040825	2	ChEMBL_880419 (CHEMBL2210102)	Displacement of [3H]LSD from human recombinant 5-HT2B receptor after 1.5 hrs by microbeta scintillation counting analysis
50040825	3	ChEMBL_880420 (CHEMBL2210103)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 1.5 hrs by microbeta scintillation counting analysis
50040825	5	ChEMBL_880412 (CHEMBL2210095)	Displacement of [3H]WIN35428 from human recombinant DAT after 1.5 hrs by microbeta scintillation counting analysis
50040825	6	ChEMBL_880513 (CHEMBL2211448)	Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis
50040825	7	ChEMBL_880413 (CHEMBL2210096)	Displacement of [3H]nisoxetine from human recombinant NET after 1.5 hrs by microbeta scintillation counting analysis
50040825	8	ChEMBL_880516 (CHEMBL2211451)	Binding affinity to sigma 1 receptor
50040825	10	ChEMBL_880415 (CHEMBL2210098)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor after 1.5 hrs by microbeta scintillation counting analysis
50001361	1	ChEBML_1717668	Inhibition of Wistar rat plasma angiotensin 1-converting enzyme using H-hippuryl-His-Leu-OH as substrate after 20 mins by fluorescence assay
50040825	12	ChEMBL_880417 (CHEMBL2210100)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor after 1.5 hrs by microbeta scintillation counting analysis
50040825	13	ChEMBL_880418 (CHEMBL2210101)	Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor after 1.5 hrs by microbeta scintillation counting analysis
50040826	1	ChEMBL_880534 (CHEMBL2211469)	Inhibition of CK1-alpha using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 8 uM ATP
50040826	2	ChEMBL_880536 (CHEMBL2211471)	Inhibition of CK1-gamma 2 using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 32 uM ATP
50040826	3	ChEMBL_880532 (CHEMBL2211467)	Inhibition of human CK1-gamma2 in HEK293 cells assessed as inhibition of doxcycline-induced LRP6 phosphorylation after 2 hrs by electrochemiluminescence analysis
50040826	4	ChEMBL_880522 (CHEMBL2211457)	Inhibition of CK1-gamma2 in human RKO cell assessed as inhibition of Wnt3a-induced Wnt signaling treated 1 hr prior to Wnt3a ligand addition measured after 18 to 24 hrs by luciferase reporter gene assay
50040826	5	ChEMBL_880533 (CHEMBL2211468)	Inhibition of GSK3beta
50040826	6	ChEMBL_880535 (CHEMBL2211470)	Inhibition of CK1-delta using biotin[long chain]-KKRRRAL{pS}VATLPGL substrate in presence of 11 uM ATP
50040827	1	ChEMBL_880571 (CHEMBL2211966)	Binding affinity to human ERG
50040828	1	ChEMBL_879063 (CHEMBL2208973)	Agonist activity at GPR119 expressed in CHO-K1 cells assessed as cAMP level after 1 hr by homogenous time-resolved fluorescence assay
50040828	2	ChEMBL_879064 (CHEMBL2208974)	Agonist activity at human GPR119 expressed in MIN6 cells assessed as intracellular cAMP concentration after 45 mins by Alphascreen analysis
50001362	1	ChEBML_1717673	Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycycline-induced NICD expression after 12 hrs by Bright-Glo luciferase reporter gene assay
50001363	1	ChEBML_1717698	Inhibition of 11beta-HSD1 in human liver microsomes using [3H]cortisone as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by scintillation proximity assay
50001363	2	ChEBML_1717701	Inhibition of human full-length 11beta-HSD2 expressed in HEK293 cells using cortisol as substrate after 2 hrs by LC-MS analysis
50040829	2	ChEMBL_879124 (CHEMBL2209069)	Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis
50040829	3	ChEMBL_879132 (CHEMBL2209077)	Inhibition of SUV39H2 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	4	ChEMBL_879133 (CHEMBL2209104)	Inhibition of SUV39H1 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	5	ChEMBL_879134 (CHEMBL2209105)	Inhibition of SETMAR using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	6	ChEMBL_879135 (CHEMBL2209106)	Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	7	ChEMBL_879136 (CHEMBL2209107)	Inhibition of PRMT5 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	8	ChEMBL_879137 (CHEMBL2209108)	Inhibition of PRMT4 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	9	ChEMBL_879138 (CHEMBL2209109)	Inhibition of PRMT3 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	10	ChEMBL_879139 (CHEMBL2209110)	Inhibition of PRMT1 using histone H4 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	11	ChEMBL_879140 (CHEMBL2209111)	Inhibition of MLL4 using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	12	ChEMBL_879141 (CHEMBL2209112)	Inhibition of MLL3 using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	13	ChEMBL_879142 (CHEMBL2209113)	Inhibition of MLL2 using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	14	ChEMBL_879144 (CHEMBL2209115)	Inhibition of G9a using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	15	ChEMBL_879145 (CHEMBL2209116)	Inhibition of DOT1L using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	16	ChEMBL_879146 (CHEMBL2209117)	Inhibition of mouse DNMT3b1 using lambda DNA as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	17	ChEMBL_879147 (CHEMBL2209118)	Inhibition of DNMT3a using lambda DNA as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040829	18	ChEMBL_879148 (CHEMBL2209119)	Inhibition of DNMT1 using polydi-dc as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins
50040830	1	ChEMBL_879170 (CHEMBL2209141)	Inhibition of topoisomerase 2a in human HuH7 cells
50040830	2	ChEMBL_879169 (CHEMBL2209140)	Inhibition of topoisomerase 1 in human HuH7 cells
50040830	3	ChEMBL_879173 (CHEMBL2209144)	Inhibition of topoisomerase 2
50001363	3	ChEBML_1717704	Inhibition of 11beta-HSD1 in CD1 mouse liver microsomes using cortisone as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by LC-MS analysis
50040830	4	ChEMBL_879172 (CHEMBL2209143)	Inhibition of topoisomerase 1
50040831	1	ChEMBL_879200 (CHEMBL2208513)	Displacement of [125I]MIP-1beta from CCR5 receptor
50040831	2	ChEMBL_879196 (CHEMBL2208509)	Displacement of [3H]dofetilide from human ERG
50040832	1	ChEMBL_879211 (CHEMBL2208524)	Inhibition of HDJ2
50040832	2	ChEMBL_879209 (CHEMBL2208522)	Inhibition of Ki-Ras
50040832	3	ChEMBL_879210 (CHEMBL2208523)	Inhibition of Rap1a
50040832	4	ChEMBL_879201 (CHEMBL2208514)	Antagonist activity at CHT1
50040832	5	ChEMBL_879204 (CHEMBL2208517)	Antagonist activity at dopamine D1 receptor
50040832	6	ChEMBL_879203 (CHEMBL2208516)	Antagonist activity at adenosine A3 receptor
50040832	7	ChEMBL_879258 (CHEMBL2208611)	Inhibition of sonic hedgehog pathway in mouse NIH-3T3 cells
50040832	8	ChEMBL_879255 (CHEMBL2208608)	Inhibition of TrkA assessed as inhibition of mAb5C3 binding
50040832	10	ChEMBL_879256 (CHEMBL2208609)	Inhibition of SH2 domain of GRB2 in human MDA-MB-453 cells
50040832	15	ChEMBL_879208 (CHEMBL2208521)	Antagonist activity at CXCR4
50040832	16	ChEMBL_879214 (CHEMBL2208527)	Inhibition of CDK6
50040832	17	ChEMBL_879215 (CHEMBL2208528)	Inhibition of CDK4
50040832	18	ChEMBL_879216 (CHEMBL2208529)	Inhibition of VEGFR2
50040832	19	ChEMBL_879219 (CHEMBL2208532)	Inhibition of CDK2
50040832	23	ChEMBL_879249 (CHEMBL2208602)	Inhibition of thrombin
50040832	24	ChEMBL_879251 (CHEMBL2208604)	Inhibition of ACE
50040832	25	ChEMBL_879250 (CHEMBL2208603)	Inhibition of neutral endopeptidase
50040832	26	ChEMBL_879253 (CHEMBL2208606)	Inhibition of renin
50040833	1	ChEMBL_879332 (CHEMBL2208730)	Inhibition of NET
50040833	2	ChEMBL_879333 (CHEMBL2208731)	Inhibition of SERT
50040833	3	ChEMBL_879331 (CHEMBL2208729)	Inhibition of DAT
50040833	4	ChEMBL_879334 (CHEMBL2208732)	Inhibition of EP3 receptor in presence of 0.005 % HAS
50040833	5	ChEMBL_879335 (CHEMBL2208733)	Inhibition of EP3 receptor
50040833	6	ChEMBL_879301 (CHEMBL2208699)	Antagonist activity at angiotensin 1 receptor
50040833	7	ChEMBL_879299 (CHEMBL2208697)	Binding affinity to Bcl2 by fluorescent polarization assay
50040833	8	ChEMBL_879289 (CHEMBL2208642)	Inhibition of HER2
50040833	9	ChEMBL_879290 (CHEMBL2208688)	Inhibition of HER1
50040833	10	ChEMBL_879312 (CHEMBL2208710)	Inhibition of ACE
50040833	11	ChEMBL_879320 (CHEMBL2208718)	Inhibition of sigma 1 receptor
50040833	12	ChEMBL_879321 (CHEMBL2208719)	Inhibition of human dopamine D5 receptor
50040833	13	ChEMBL_879322 (CHEMBL2208720)	Inhibition of human dopamine D4 receptor
50040833	14	ChEMBL_879324 (CHEMBL2208722)	Inhibition of human dopamine D3 receptor
50040833	15	ChEMBL_879323 (CHEMBL2208721)	Inhibition of human dopamine D2 receptor
50040833	16	ChEMBL_879325 (CHEMBL2208723)	Inhibition of human dopamine D1 receptor
50040833	17	ChEMBL_879293 (CHEMBL2208691)	Inhibition of FAAH
50040833	18	ChEMBL_879292 (CHEMBL2208690)	Inhibition of human neutrophil elastase
50040833	19	ChEMBL_879294 (CHEMBL2208692)	Inhibition of human estradiol 17beta-dehydrogenase
50040833	20	ChEMBL_879297 (CHEMBL2208695)	Inhibition of factor 10a
50040833	21	ChEMBL_879298 (CHEMBL2208696)	Antagonist activity at Bradykinin B1 receptor
50040833	22	ChEMBL_879302 (CHEMBL2208700)	Antagonist activity at angiotensin 2 receptor
50040833	23	ChEMBL_879270 (CHEMBL2208623)	Inhibition of aldose reductase
50040833	24	ChEMBL_879272 (CHEMBL2208625)	Competitive inhibition of GABA aminotransferase
50040833	25	ChEMBL_879273 (CHEMBL2208626)	Inhibition of human carbonic anhydrase 2
50040833	26	ChEMBL_879305 (CHEMBL2208703)	Inhibition of MMP9
50040833	27	ChEMBL_879306 (CHEMBL2208704)	Antagonist activity at neurokinin K1 receptor
50040833	28	ChEMBL_879307 (CHEMBL2208705)	Inhibition of human ERG
50040833	29	ChEMBL_879262 (CHEMBL2208615)	Inhibition of mGluR1b receptor
50040833	30	ChEMBL_879304 (CHEMBL2208702)	Inhibition of mGluR1a receptor
50040833	31	ChEMBL_879278 (CHEMBL2208631)	Inhibition of human PARP-1
50040833	32	ChEMBL_879277 (CHEMBL2208630)	Inhibition of human EGFR kinase activity
50040833	33	ChEMBL_879266 (CHEMBL2208619)	Inhibition of cathepsin S
50040833	34	ChEMBL_879267 (CHEMBL2208620)	Inhibition of cathepsin B
50040833	35	ChEMBL_879285 (CHEMBL2208638)	Inhibition of FKBP12
50040833	36	ChEMBL_879287 (CHEMBL2208640)	Inhibition of COX2
50040833	37	ChEMBL_879288 (CHEMBL2208641)	Inhibition of COX1
50040834	1	ChEMBL_880210 (CHEMBL2215339)	Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation counting
50040835	1	ChEMBL_880263 (CHEMBL2215841)	Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting
50040835	2	ChEMBL_880264 (CHEMBL2215842)	Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay
50040835	6	ChEMBL_880222 (CHEMBL2215351)	Binding affinity to human 5HT7 receptor
50040835	7	ChEMBL_880223 (CHEMBL2215352)	Binding affinity to human 5HT6 receptor
50040835	8	ChEMBL_880224 (CHEMBL2215353)	Binding affinity to human 5HT5A receptor
50040835	9	ChEMBL_880226 (CHEMBL2215355)	Binding affinity to human 5HT2C receptor
50040835	10	ChEMBL_880227 (CHEMBL2215356)	Binding affinity to human 5HT2A receptor
50040835	12	ChEMBL_880231 (CHEMBL2215360)	Binding affinity to human beta 1 adrenergic receptor
50040835	13	ChEMBL_880232 (CHEMBL2215361)	Binding affinity to human histamine H2 receptor
50040835	14	ChEMBL_880234 (CHEMBL2215363)	Binding affinity to human histamine H1 receptor
50001364	1	ChEBML_1717739	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50001364	2	ChEBML_1717748	Inhibition of Mycobacterium tuberculosis InhA using DDCoA as substrate in presence of NADH by fluorimetric method
50040835	18	ChEMBL_880235 (CHEMBL2215364)	Binding affinity to human SERT
50001365	1	ChEMBL_1717749 (CHEMBL4132749)	Inhibition of human N-terminal MGHHHHHHHHHHSSG-tagged SphK1 (2 to 384 residues) expressed in Escherichia coli Rosetta-2 by fluorescence assay
50040835	20	ChEMBL_880262 (CHEMBL2215840)	Binding affinity to human 5HT3A receptor
50001365	2	ChEMBL_1717751 (CHEMBL4132751)	Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method
50040835	22	ChEMBL_880268 (CHEMBL2215846)	Partial agonist activity at human 5HT1B receptor expressed in CHO cells assessed as [35S]GTPgammaS binding
50001365	3	ChEMBL_1717752 (CHEMBL4132752)	Inhibition of SphK1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of [gamma-32P]ATP by Cerenkov counting method
50040835	24	ChEMBL_880237 (CHEMBL2215366)	Binding affinity to rat 5HT3A receptor
50001365	4	ChEMBL_1717750 (CHEMBL4132750)	Inhibition of V5-His-tagged human SphK1 using sphingosine as substrate in presence of [gamma-32P]ATP
50040835	26	ChEMBL_880247 (CHEMBL2215825)	Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysis
50040835	27	ChEMBL_880248 (CHEMBL2215826)	Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectrophotometric analysis
50040835	28	ChEMBL_880249 (CHEMBL2215827)	Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis
50040835	29	ChEMBL_880250 (CHEMBL2215828)	Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis
50040835	30	ChEMBL_880259 (CHEMBL2215837)	Inhibition of DAT-mediated [3H]DA in rat synaptosomes by scintillation counting
50040836	1	ChEMBL_880271 (CHEMBL2215849)	Displacement of [125I]-CXCL11 from human CXCR3 expressed in HEK293 cells
50040836	2	ChEMBL_880272 (CHEMBL2215850)	Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells
50040837	1	ChEMBL_879583 (CHEMBL2209033)	Inhibition of Klebsiella pneumoniae aryl sulfatase after 0.5 hrs by para-nitrocatechol sulfate-based colorimetric assay
50040837	2	ChEMBL_879584 (CHEMBL2209034)	Inhibition of Pseudomonas aeruginosa aryl sulfatase after 0.5 hrs by para-nitrocatechol sulfate-based colorimetric assay
50040837	3	ChEMBL_879573 (CHEMBL2209023)	Inhibition of Klebsiella pneumoniae aryl sulfatase after 20 mins by spectrophotometry
50040837	4	ChEMBL_879574 (CHEMBL2209024)	Inhibition of Pseudomonas aeruginosa aryl sulfatase after 20 mins by spectrophotometry
50040837	5	ChEMBL_879581 (CHEMBL2209031)	Displacement of 3H-DHEAS from human steroid sulfatase after 1 hr by liquid scintillation counting analysis
50040838	1	ChEMBL_879620 (CHEMBL2209152)	Inhibition of PME1 binding to FP-rhodamine in HEK293T cells after 1 hr by fluorescence polarization activity-based protein profiling assay
50040838	2	ChEMBL_879621 (CHEMBL2209153)	Inhibition of PME1 binding to FP-rhodamine in mouse brain soluble proteome after 45 mins by fluorescence polarization activity-based protein profiling assay
50040838	3	ChEMBL_879948 (CHEMBL2212397)	Inhibition of PME1 binding to FP-rhodamine in human HEK293T cells after 45 mins by fluorescence polarization activity-based protein profiling assay
50040838	4	ChEMBL_879954 (CHEMBL2212403)	Inhibition of PME1 binding to FP-rhodamine in human MDA-MB-231 cells after 30 mins by fluorescence polarization activity-based protein profiling assay
50040839	1	ChEMBL_879961 (CHEMBL2212410)	Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting
50040840	1	ChEMBL_879386 (CHEMBL2208784)	Inhibition of human Erg expressed in human HEK293 cells
50040840	2	ChEMBL_879383 (CHEMBL2208781)	Antagonist activity at human histamine H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10 mins prior forskolin stimulation measured after 4.5 hrs by spectrofluorimetric analysis
50040840	3	ChEMBL_879384 (CHEMBL2208782)	Antagonist activity at rat histamine H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10 mins prior forskolin stimulation measured after 4.5 hrs by spectrofluorimetric analysis
50040840	4	ChEMBL_879382 (CHEMBL2208780)	Displacement of [3H]-n-alpha-methylhistamine from rat histamine H3 receptor homogenate after 60 mins by scintillation counting
50040840	5	ChEMBL_879381 (CHEMBL2208779)	Displacement of [3H]-n-alpha-methylhistamine from human histamine H3 receptor homogenate after 60 mins by scintillation counting
50040841	1	ChEMBL_880126 (CHEMBL2214362)	Agonist activity at human GAL4-fused PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivation assay
50040841	2	ChEMBL_880124 (CHEMBL2214360)	Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivation assay
50040841	3	ChEMBL_880133 (CHEMBL2214369)	Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by scintillation proximity assay
50040841	4	ChEMBL_880132 (CHEMBL2214368)	Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry
50040841	5	ChEMBL_880128 (CHEMBL2214364)	Agonist activity at human GAL4-fused PPARdelta ligand binding domain expressed in COS-1 cells after 20 hrs by luciferase reporter gene transactivation assay
50040842	1	ChEMBL_879493 (CHEMBL2208891)	Binding affinity to DAT
50040842	2	ChEMBL_879494 (CHEMBL2208892)	Binding affinity to rat DAT
50040842	3	ChEMBL_879497 (CHEMBL2208895)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells
50040842	4	ChEMBL_879498 (CHEMBL2208896)	Displacement of [3H]NE from human NET expressed in HEK293 cells
50040842	5	ChEMBL_879499 (CHEMBL2208897)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells
50040842	6	ChEMBL_879501 (CHEMBL2208899)	Displacement of [3H]5-HT from human SERT expressed in HEK293 cells
50040842	7	ChEMBL_879500 (CHEMBL2208898)	Displacement of [3H]WIN35,428 from human DAT expressed in HEK293 cells
50040842	8	ChEMBL_879502 (CHEMBL2208900)	Displacement of [3H]DA from human DAT expressed in HEK293 cells
50040843	1	ChEMBL_879681 (CHEMBL2208481)	Inhibition of human telomerase in cell free system after 1 min by TRAP-LIG assay
50040844	1	ChEMBL_884621 (CHEMBL2214168)	Inactivation of GABA-AT in rat brain homogenate
50040844	2	ChEMBL_884620 (CHEMBL2214167)	Inactivation of GABA-AT
50040845	1	ChEMBL_884635 (CHEMBL2214182)	Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose
50040845	2	ChEMBL_884636 (CHEMBL2214652)	Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay
50040845	3	ChEMBL_884637 (CHEMBL2214653)	Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose
50040845	4	ChEMBL_884638 (CHEMBL2214654)	Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay
50040845	5	ChEMBL_884646 (CHEMBL2214662)	Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose
50040845	6	ChEMBL_884641 (CHEMBL2214657)	Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay
50040846	1	ChEMBL_881438 (CHEMBL2214425)	Binding affinity at human recombinant STAT6 by SPR analysis
50040846	2	ChEMBL_881632 (CHEMBL2216405)	Inhibition of mouse STAT6 expressed in BEAS2B cells assessed as IL4-induced eotaxin-3 secretion after 24 hrs by ELISA
50040846	3	ChEMBL_881634 (CHEMBL2209265)	Inhibition of human STAT6 expressed in 293-EBNA cells assessed as inhibition of IL4-induced STAT6 transcriptional activation after 1 hr by Photinus pylaris luciferase reporter gene assay
50040847	1	ChEMBL_881659 (CHEMBL2209290)	Inhibition of Mycobacterium tuberculosis H37Rv Fab1
50040848	1	ChEMBL_881929 (CHEMBL2212532)	Inhibition of HIF-1alpha-mediated VEGF secretion in human Hep3b cells by ELISA
50040848	2	ChEMBL_881928 (CHEMBL2212531)	Inhibition of HIF-1alpha-mediated VEGF expression in human Hep3b cells by luciferase reporter gene assay
50040848	3	ChEMBL_881927 (CHEMBL2212530)	Inhibition of HIF-1alpha transcriptional co-activator p300 interaction
50040848	4	ChEMBL_881926 (CHEMBL2212529)	Inhibition of HIF-1alpha in human LN229 cells under hypoxia condition by HRE-luciferase reporter gene assay
50040848	5	ChEMBL_881925 (CHEMBL2212528)	Inhibition of HIF-1alpha in human HCT116 cells under hypoxia condition by HRE-luciferase reporter gene assay
50040848	6	ChEMBL_881914 (CHEMBL2212517)	Inhibition of topoisomerase-1 in human U251 cells assessed as inhibition of hypoxia-induced HIF-1alpha accumulation in nuclear extract after 6 to 24 hrs by immunoblot analysis
50040848	7	ChEMBL_881913 (CHEMBL2212516)	Inhibition of topoisomerase-1 in human U251 cells assessed as inhibition of HIF-1-mediated hypoxia-induced VEGF expression after 24 hrs by luciferase reporter gene assay
50001365	5	ChEBML_1717751	Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method
50040849	1	ChEMBL_882178 (CHEMBL2215451)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membrane after 2 hrs
50001366	1	ChEBML_1717756	Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate
50040849	2	ChEMBL_882177 (CHEMBL2215009)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs
50001366	2	ChEBML_1717761	Inhibition of bovine DPP9
50040849	3	ChEMBL_882176 (CHEMBL2215008)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs
50001366	7	ChEBML_1717756	Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate
50040849	4	ChEMBL_882180 (CHEMBL2215453)	Agonist activity at delta opioid receptor in mouse vas deferens
50040850	1	ChEMBL_882194 (CHEMBL2215467)	Agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040850	2	ChEMBL_882197 (CHEMBL2215470)	Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in presence of para-LRB-AC42
50040850	3	ChEMBL_882199 (CHEMBL2215472)	Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]NMS dissociation rate after 22 hrs by liquid scintillation counting
50040850	4	ChEMBL_882201 (CHEMBL2215474)	Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scintillation counting
50040850	5	ChEMBL_882202 (CHEMBL2215475)	Antagonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as inhibition of carbachol induced calcium response by fluorescence assay
50040850	6	ChEMBL_882205 (CHEMBL2215478)	Agonist activity at human M3 receptor in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040850	7	ChEMBL_882213 (CHEMBL2215936)	Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040850	8	ChEMBL_882409 (CHEMBL2210236)	Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 11 residues expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040850	9	ChEMBL_882410 (CHEMBL2210237)	Partial agonist activity at EGFP-fused human full length M1 receptor expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040850	10	ChEMBL_882411 (CHEMBL2210238)	Partial agonist activity at human full length M1 receptor expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay
50040851	1	ChEMBL_882429 (CHEMBL2210668)	Inhibition of PTP1B
50040852	1	ChEMBL_882436 (CHEMBL2210675)	Displacement of [3H]CP55940 from CB1 receptor
50040852	2	ChEMBL_882435 (CHEMBL2210674)	Binding affinity to human CB2 receptor by filtration assay
50040852	3	ChEMBL_882434 (CHEMBL2210673)	Binding affinity to human CB1 receptor by filtration assay
50040852	4	ChEMBL_882431 (CHEMBL2210670)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry
50040852	5	ChEMBL_882430 (CHEMBL2210669)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells after 1 hr by liquid scintillation spectrophotometry
50040852	6	ChEMBL_882693 (CHEMBL2213572)	Activation of human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding after 90 mins by liquid scintillation spectrophotometry
50040853	1	ChEMBL_883192 (CHEMBL2212118)	Binding affinity to rat cerebral cortex histamine H3 receptor
50040853	2	ChEMBL_882951 (CHEMBL2209379)	Binding affinity to rat histamine H3 receptor
50040853	3	ChEMBL_882945 (CHEMBL2209373)	Binding affinity to human recombinant histamine H3 receptor
50040853	4	ChEMBL_882946 (CHEMBL2209374)	Binding affinity to rat brain histamine H3 receptor after 1 hr by gamma counting
50040853	5	ChEMBL_882948 (CHEMBL2209376)	Binding affinity to rat histamine H3 receptor low affinity site after 1 hr by Schard plot analysis
50040854	1	ChEMBL_883204 (CHEMBL2212130)	Antagonist activity at human TRbeta1
50040854	2	ChEMBL_883203 (CHEMBL2212129)	Antagonist activity at human TRalpha1
50040854	3	ChEMBL_883199 (CHEMBL2212125)	Binding affinity to TRbeta1
50040854	4	ChEMBL_883198 (CHEMBL2212124)	Binding affinity to TRalpha1
50040854	5	ChEMBL_883195 (CHEMBL2212121)	Binding affinity to human TRbeta1
50040854	6	ChEMBL_883194 (CHEMBL2212120)	Binding affinity to human TRalpha1
50040855	1	ChEMBL_883451 (CHEMBL2215526)	Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells
50040855	2	ChEMBL_883459 (CHEMBL2215534)	Competitive inhibition at wild type human NK3 expressed in HEK293 cells assessed as decrease in [MePhe7]NKB-induced [3H]IP accumulation after 20 mins
50040855	3	ChEMBL_883639 (CHEMBL2210304)	Binding affinity at human NK1 receptor
50040855	4	ChEMBL_883646 (CHEMBL2210311)	Competitive inhibition of wild type human NK1 receptor expressed in HEK293 cells assessed as decrease in SP1-induced [3H]IP accumulation after 20 mins
50040855	6	ChEMBL_883638 (CHEMBL2210303)	Agonist activity at wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
50040855	7	ChEMBL_883640 (CHEMBL2210305)	Binding affinity at human NK2 receptor
50040855	8	ChEMBL_883641 (CHEMBL2210306)	Agonist activity at wild type human NK1 receptor expressed in HEK293 cells assessed as increase in [3H]IP accumulation after 20 mins
50040855	9	ChEMBL_883414 (CHEMBL2215051)	Binding affinity to wild type human NK3 receptor
50040855	10	ChEMBL_883449 (CHEMBL2215524)	Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells
50040856	2	ChEMBL_883688 (CHEMBL2210767)	Agonist activity at human LXR-alpha assessed as increase in recruitment of Trap 220/Drip2 coactivator peptide by TR-FRET assay
50040856	4	ChEMBL_883692 (CHEMBL2210771)	Transactivation of human LXR-alpha transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50001366	4	ChEBML_1717760	Inhibition of DPP8 (unknown origin)
50040857	3	ChEMBL_883917 (CHEMBL2213656)	Positive allosteric modulation of rat mGlu5 expressed in HEK293 cells in presence of glutamate EC20 concentration by Fluo-2AM dye based fluorescence analysis
50040857	7	ChEMBL_883912 (CHEMBL2213651)	Negative allosteric modulation of human mGlu3 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay
50040857	9	ChEMBL_883927 (CHEMBL2213666)	Inhibition of CYP1A2 in human liver microsomes
50040857	10	ChEMBL_883926 (CHEMBL2213665)	Inhibition of CYP2D6 in human liver microsomes
50040857	11	ChEMBL_883925 (CHEMBL2213664)	Inhibition of CYP2C9 in human liver microsomes
50040857	12	ChEMBL_883924 (CHEMBL2213663)	Inhibition of CYP3A4 in human liver microsomes
50040857	15	ChEMBL_883911 (CHEMBL2213650)	Negative allosteric modulation of human mGlu2 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay
50040858	1	ChEMBL_883945 (CHEMBL2214108)	Inhibition of electric eel AChE by colorimetric Ellman assay
50040858	2	ChEMBL_883946 (CHEMBL2214109)	Inhibition of horse AChE by colorimetric Ellman assay
50040859	2	ChEMBL_884446 (CHEMBL2212208)	Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method
50040859	3	ChEMBL_884221 (CHEMBL2209451)	Binding affinity to DP1 receptor by FRET assay
50040859	5	ChEMBL_884219 (CHEMBL2209449)	Inhibition of mouse CRTH2 receptor
50040859	7	ChEMBL_884214 (CHEMBL2209444)	Inhibition of CYP1A2
50040859	8	ChEMBL_884213 (CHEMBL2209443)	Inhibition of CYP2B6
50040859	9	ChEMBL_884212 (CHEMBL2209442)	Inhibition of CYP2C8
50040859	10	ChEMBL_884211 (CHEMBL2209441)	Inhibition of CYP2C19
50040859	11	ChEMBL_884210 (CHEMBL2209440)	Inhibition of CYP2C9
50040859	12	ChEMBL_884209 (CHEMBL2209439)	Inhibition of CYP2D6
50040859	13	ChEMBL_884208 (CHEMBL2209438)	Inhibition of CYP3A4
50040859	14	ChEMBL_884206 (CHEMBL2209436)	Antagonist activity at TXA2 receptor by FRET assay
50040860	1	ChEMBL_884453 (CHEMBL2212215)	Inhibition of human recombinant TRX-2 up to 60 mins by insulin reduction assay
50040860	2	ChEMBL_884454 (CHEMBL2212216)	Inhibition of human recombinant TRX-1 up to 60 mins by insulin reduction assay
50040861	1	ChEMBL_881248 (CHEMBL2211980)	Inhibition of PIK3Ca
50040861	2	ChEMBL_881250 (CHEMBL2211982)	Inhibition of PIK3Cd
50040861	3	ChEMBL_881249 (CHEMBL2211981)	Inhibition of PIK3Cb
50040861	4	ChEMBL_880968 (CHEMBL2216380)	Inhibition of BRD4
50040861	5	ChEMBL_880967 (CHEMBL2216379)	Inhibition of BRD3
50040861	6	ChEMBL_880966 (CHEMBL2216378)	Inhibition of BRD2
50040861	7	ChEMBL_880965 (CHEMBL2216377)	Inhibition of BRAF
50040861	8	ChEMBL_880964 (CHEMBL2216376)	Inhibition of BMPR1A
50040861	9	ChEMBL_880963 (CHEMBL2216375)	Inhibition of BMP2K
50040861	10	ChEMBL_880962 (CHEMBL2216374)	Inhibition of BLK
50040861	12	ChEMBL_880960 (CHEMBL2216372)	Inhibition of AURKA
50040861	14	ChEMBL_880957 (CHEMBL2216369)	Inhibition of ARAF
50040861	15	ChEMBL_880956 (CHEMBL2216368)	Inhibition of ADCK4
50040861	16	ChEMBL_880955 (CHEMBL2216367)	Inhibition of ACVR2B
50040861	17	ChEMBL_880954 (CHEMBL2216366)	Inhibition of ACVR2A
50040861	18	ChEMBL_880953 (CHEMBL2216365)	Inhibition of ACVR1B
50040861	19	ChEMBL_880952 (CHEMBL2216364)	Inhibition of ACVR1
50040861	20	ChEMBL_880951 (CHEMBL2216363)	Inhibition of ABL2
50040861	21	ChEMBL_880950 (CHEMBL2216362)	Inhibition of ABL1
50040861	22	ChEMBL_881251 (CHEMBL2211983)	Inhibition of PIK3Cg
50040861	23	ChEMBL_881251 (CHEMBL2211983)	Inhibition of PIK3Cg
50040861	26	ChEMBL_881256 (CHEMBL2211988)	Inhibition of PIP4K2C
50040861	27	ChEMBL_881248 (CHEMBL2211980)	Inhibition of PIK3Ca
50040861	28	ChEMBL_881208 (CHEMBL2211513)	Inhibition of JAK1
50040861	29	ChEMBL_880949 (CHEMBL2216361)	Inhibition of AAK1
50040861	30	ChEMBL_881177 (CHEMBL2211482)	Inhibition of CSNK1A1
50040861	31	ChEMBL_881244 (CHEMBL2211976)	Inhibition of PAK4
50040861	32	ChEMBL_881180 (CHEMBL2211485)	Inhibition of CSNK1G1
50040861	33	ChEMBL_881221 (CHEMBL2211526)	Inhibition of MAP3K3
50040861	34	ChEMBL_881220 (CHEMBL2211525)	Inhibition of MAP3K2
50040861	35	ChEMBL_881219 (CHEMBL2211524)	Inhibition of MAP3K11
50040861	36	ChEMBL_881218 (CHEMBL2211523)	Inhibition of MAP3K1
50040861	37	ChEMBL_881217 (CHEMBL2211522)	Inhibition of MAP2K5
50040861	38	ChEMBL_881216 (CHEMBL2211521)	Inhibition of MAP2K2
50040861	39	ChEMBL_881215 (CHEMBL2211520)	Inhibition of MAP2K1
50040861	40	ChEMBL_881214 (CHEMBL2211519)	Inhibition of LYN
50040861	41	ChEMBL_881213 (CHEMBL2211518)	Inhibition of LIMK2
50040861	42	ChEMBL_881212 (CHEMBL2211517)	Inhibition of LIMK1
50040861	43	ChEMBL_881211 (CHEMBL2211516)	Inhibition of LCK
50040861	44	ChEMBL_881210 (CHEMBL2211515)	Inhibition of KIAA0999
50040861	45	ChEMBL_881209 (CHEMBL2211514)	Inhibition of JAK2
50040861	46	ChEMBL_881207 (CHEMBL2211512)	Inhibition of ITK
50040861	47	ChEMBL_881206 (CHEMBL2211511)	Inhibition of IRAK3
50040861	48	ChEMBL_881205 (CHEMBL2211510)	Inhibition of IRAK1
50040861	49	ChEMBL_881204 (CHEMBL2211509)	Inhibition of ILK
50040861	50	ChEMBL_881203 (CHEMBL2211508)	Inhibition of IKBKE
50040861	51	ChEMBL_881202 (CHEMBL2211507)	Inhibition of GSK3B
50040861	52	ChEMBL_881201 (CHEMBL2211506)	Inhibition of GSK3A
50040861	53	ChEMBL_881200 (CHEMBL2211505)	Inhibition of GAK
50040861	54	ChEMBL_881199 (CHEMBL2211504)	Inhibition of FYN
50040861	55	ChEMBL_881198 (CHEMBL2211503)	Inhibition of FRK
50040861	56	ChEMBL_881197 (CHEMBL2211502)	Inhibition of FGR
50040861	57	ChEMBL_881196 (CHEMBL2211501)	Inhibition of FGFR1
50040861	58	ChEMBL_881195 (CHEMBL2211500)	Inhibition of FES
50040861	59	ChEMBL_881194 (CHEMBL2211499)	Inhibition of FER
50040861	60	ChEMBL_881193 (CHEMBL2211498)	Inhibition of EPHB6
50040861	61	ChEMBL_881192 (CHEMBL2211497)	Inhibition of EPHB4
50040861	62	ChEMBL_881191 (CHEMBL2211496)	Inhibition of EPHB2
50040861	63	ChEMBL_881190 (CHEMBL2211495)	Inhibition of EPHA3
50040861	64	ChEMBL_881189 (CHEMBL2211494)	Inhibition of EPHA2
50001366	5	ChEBML_1717762	Inhibition of DPP2 (unknown origin)
50040861	66	ChEMBL_881187 (CHEMBL2211492)	Inhibition of EIF2AK1
50040861	67	ChEMBL_881186 (CHEMBL2211491)	Inhibition of EGFR
50040861	68	ChEMBL_881184 (CHEMBL2211489)	Inhibition of DDR1
50040861	69	ChEMBL_881183 (CHEMBL2211488)	Inhibition of CSNK2A2
50040861	70	ChEMBL_881182 (CHEMBL2211487)	Inhibition of CSNK2A1
50040861	71	ChEMBL_881181 (CHEMBL2211486)	Inhibition of CSNK1G3
50040861	72	ChEMBL_881179 (CHEMBL2211484)	Inhibition of CSNK1E
50040861	73	ChEMBL_881178 (CHEMBL2211483)	Inhibition of CSNK1D
50040861	74	ChEMBL_881176 (CHEMBL2211481)	Inhibition of CSK
50040861	75	ChEMBL_881175 (CHEMBL2211480)	Inhibition of CLK2
50040861	76	ChEMBL_881174 (CHEMBL2211479)	Inhibition of CLK1
50040861	79	ChEMBL_881171 (CHEMBL2211476)	Inhibition of CDK9
50040861	80	ChEMBL_881170 (CHEMBL2211056)	Inhibition of CDK7
50040861	81	ChEMBL_881169 (CHEMBL2211055)	Inhibition of CDK6
50040861	82	ChEMBL_881168 (CHEMBL2211054)	Inhibition of CDK5
50040861	83	ChEMBL_881167 (CHEMBL2211053)	Inhibition of CDK2
50040861	86	ChEMBL_881164 (CHEMBL2211050)	Inhibition of CAMKK1
50040861	87	ChEMBL_881163 (CHEMBL2211049)	Inhibition of CAMK4
50040861	88	ChEMBL_881162 (CHEMBL2211048)	Inhibition of CAMK2G
50040861	89	ChEMBL_880972 (CHEMBL2216384)	Inhibition of CAMK2D
50040861	90	ChEMBL_880971 (CHEMBL2216383)	Inhibition of CAMK1D
50040861	91	ChEMBL_880970 (CHEMBL2216382)	Inhibition of CABC1
50040861	92	ChEMBL_880969 (CHEMBL2216381)	Inhibition of BTK
50040861	93	ChEMBL_881453 (CHEMBL2214440)	Inhibition of RIOK2
50040861	94	ChEMBL_881254 (CHEMBL2211986)	Inhibition of PIK4Ca
50040861	95	ChEMBL_881247 (CHEMBL2211979)	Inhibition of PIK3C3
50040861	96	ChEMBL_880959 (CHEMBL2216371)	Inhibition of ATR
50040861	97	ChEMBL_881481 (CHEMBL2214468)	Inhibition of ZAK
50040861	98	ChEMBL_881480 (CHEMBL2214467)	Inhibition of YES1
50040861	99	ChEMBL_881479 (CHEMBL2214466)	Inhibition of WEE1
50040861	100	ChEMBL_881478 (CHEMBL2214465)	Inhibition of ULK3
50040861	101	ChEMBL_881477 (CHEMBL2214464)	Inhibition of TYK2
50040861	102	ChEMBL_881476 (CHEMBL2214463)	Inhibition of TNK2
50040861	103	ChEMBL_881475 (CHEMBL2214462)	Inhibition of TNK1
50040861	104	ChEMBL_881474 (CHEMBL2214461)	Inhibition of TGFBR1
50040861	105	ChEMBL_881473 (CHEMBL2214460)	Inhibition of TESK2
50040861	106	ChEMBL_881472 (CHEMBL2214459)	Inhibition of TESK1
50040861	107	ChEMBL_881471 (CHEMBL2214458)	Inhibition of TEC
50040861	108	ChEMBL_881470 (CHEMBL2214457)	Inhibition of TBK1
50040861	109	ChEMBL_881469 (CHEMBL2214456)	Inhibition of TAOK3
50040861	110	ChEMBL_881468 (CHEMBL2214455)	Inhibition of TAOK2
50040861	111	ChEMBL_881467 (CHEMBL2214454)	Inhibition of TAOK1
50040861	112	ChEMBL_881466 (CHEMBL2214453)	Inhibition of SYK
50040861	113	ChEMBL_881465 (CHEMBL2214452)	Inhibition of STK4
50040861	114	ChEMBL_881464 (CHEMBL2214451)	Inhibition of STK3
50040861	115	ChEMBL_881463 (CHEMBL2214450)	Inhibition of STK17B
50040861	116	ChEMBL_881462 (CHEMBL2214449)	Inhibition of STK16
50040861	117	ChEMBL_881461 (CHEMBL2214448)	Inhibition of SRC
50040861	118	ChEMBL_881460 (CHEMBL2214447)	Inhibition of SIK2
50040861	119	ChEMBL_881459 (CHEMBL2214446)	Inhibition of RPS6KA5
50040861	120	ChEMBL_881458 (CHEMBL2214445)	Inhibition of RPS6KA4
50040861	121	ChEMBL_881457 (CHEMBL2214444)	Inhibition of RPS6KA3
50040861	122	ChEMBL_881456 (CHEMBL2214443)	Inhibition of RPS6KA1
50040861	123	ChEMBL_881455 (CHEMBL2214442)	Inhibition of RIPK3
50040861	124	ChEMBL_881454 (CHEMBL2214441)	Inhibition of RIPK2
50040861	125	ChEMBL_881452 (CHEMBL2214439)	Inhibition of RET
50040861	126	ChEMBL_881451 (CHEMBL2214438)	Inhibition of PTK6
50040861	127	ChEMBL_881450 (CHEMBL2214437)	Inhibition of PTK2B
50040861	128	ChEMBL_881449 (CHEMBL2214436)	Inhibition of PTK2
50040861	130	ChEMBL_881447 (CHEMBL2214434)	Inhibition of PRKCQ
50040861	131	ChEMBL_881446 (CHEMBL2214433)	Inhibition of PRKCD
50040861	132	ChEMBL_881445 (CHEMBL2214432)	Inhibition of PRKCB
50040861	134	ChEMBL_881443 (CHEMBL2214430)	Inhibition of PRKAA2
50040861	135	ChEMBL_881442 (CHEMBL2214429)	Inhibition of PRKAA1
50040861	136	ChEMBL_881259 (CHEMBL2211991)	Inhibition of PLK4
50040861	137	ChEMBL_881258 (CHEMBL2211990)	Inhibition of PKN1
50040861	138	ChEMBL_881257 (CHEMBL2211989)	Inhibition of PKMYT1
50040861	139	ChEMBL_881255 (CHEMBL2211987)	Inhibition of PIK4Cb
50040861	140	ChEMBL_881252 (CHEMBL2211984)	Inhibition of PIK3R4
50040861	141	ChEMBL_881246 (CHEMBL2211978)	Inhibition of PHKG2
50040861	142	ChEMBL_881245 (CHEMBL2211977)	Inhibition of PDPK1
50040861	143	ChEMBL_881243 (CHEMBL2211975)	Inhibition of NLK
50040861	144	ChEMBL_881242 (CHEMBL2211974)	Inhibition of NEK9
50040861	145	ChEMBL_881241 (CHEMBL2211973)	Inhibition of NEK2
50040861	146	ChEMBL_881240 (CHEMBL2211545)	Inhibition of mTOR
50040861	147	ChEMBL_881239 (CHEMBL2211544)	Inhibition of MST1R
50040861	148	ChEMBL_881238 (CHEMBL2211543)	Inhibition of MET
50040861	149	ChEMBL_881237 (CHEMBL2211542)	Inhibition of MELK
50040861	150	ChEMBL_881236 (CHEMBL2211541)	Inhibition of MARK4
50040861	151	ChEMBL_881235 (CHEMBL2211540)	Inhibition of MARK3
50040861	152	ChEMBL_881234 (CHEMBL2211539)	Inhibition of MARK2
50040861	153	ChEMBL_881233 (CHEMBL2211538)	Inhibition of MAPK9
50040861	155	ChEMBL_881231 (CHEMBL2211536)	Inhibition of MAPK3
50040861	156	ChEMBL_881230 (CHEMBL2211535)	Inhibition of MAPK14
50040861	157	ChEMBL_881229 (CHEMBL2211534)	Inhibition of MAPK11
50040861	158	ChEMBL_881228 (CHEMBL2211533)	Inhibition of MAPK1
50040861	159	ChEMBL_881227 (CHEMBL2211532)	Inhibition of MAP4K5
50040861	160	ChEMBL_881226 (CHEMBL2211531)	Inhibition of MAP4K3
50040861	161	ChEMBL_881225 (CHEMBL2211530)	Inhibition of MAP4K2
50040861	162	ChEMBL_881224 (CHEMBL2211529)	Inhibition of MAP4K1
50040861	163	ChEMBL_881223 (CHEMBL2211528)	Inhibition of MAP3K5
50040861	164	ChEMBL_881222 (CHEMBL2211527)	Inhibition of MAP3K4
50040862	1	ChEMBL_881486 (CHEMBL2214473)	Inhibition of CYP2D6 in human liver microsomes
50040862	2	ChEMBL_881487 (CHEMBL2214474)	Inhibition of CYP2C19 in human liver microsomes
50040862	3	ChEMBL_881488 (CHEMBL2214475)	Inhibition of CYP2C9 in human liver microsomes
50040862	4	ChEMBL_881490 (CHEMBL2214477)	Inhibition of CYP3A4 in human liver microsomes
50040862	5	ChEMBL_881489 (CHEMBL2214476)	Inhibition of CYP1A2 in human liver microsomes
50040862	6	ChEMBL_881496 (CHEMBL2214483)	Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis
50040863	1	ChEMBL_881514 (CHEMBL2214954)	Inhibition of MDR1 transfected in MDCK2 cells assessed as increase in calcein AM uptake incubated for 30 mins prior to calcein AM influx measured after 20 mins by fluorimetric analysis
50040863	2	ChEMBL_881511 (CHEMBL2214951)	Inhibition of MDR1 transfected in MDCK2 cells assessed as inhibition of [3H]vinblastine efflux incubated for 30 mins prior to [3H]vinblastine addition by scintillation counting
50040863	3	ChEMBL_881515 (CHEMBL2214955)	Inhibition of human His10-tagged P-gp ATPase activity expressed in BHK cells assessed as verapamil-induced inorganic phosphate release incubated for 15 mins prior to verapamil addition by spectrophotometric analysis
50040864	1	ChEMBL_881691 (CHEMBL2209737)	Inhibition of proteolytic activity of urokinase-type plasminogen activator in human H1299 cells assessed as matrix metalloprotease activity after 24 hrs by gelatin zymography assay
50040864	2	ChEMBL_881708 (CHEMBL2209754)	Inhibition of urokinase receptor binding to uPA amino terminal fragment by ELISA
50040865	1	ChEMBL_881717 (CHEMBL2210175)	Inhibition of 5-LOX
50040865	2	ChEMBL_881720 (CHEMBL2210178)	Inhibition of soybean lipoxygenase-1 assessed as formation of 13-HPOD from linolenic acid preincubated for 10 mins measured by real-time spectrophotometric analysis
50040865	3	ChEMBL_881716 (CHEMBL2210174)	Inhibition of potato 5-lipoxygenase assessed as residual activity preincubated for 10 mins measured by real-time spectrophotometric analysis
50040865	4	ChEMBL_881723 (CHEMBL2210181)	Inhibition of soybean lipoxygenase-1 assessed as inhibition constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot
50040865	5	ChEMBL_881722 (CHEMBL2210180)	Inhibition of soybean lipoxygenase-1 assessed as inhibition constant for enzyme-inhibitor complex by Lineweaver-Burk plot
50040866	1	ChEMBL_882013 (CHEMBL2213508)	Agonist activity at human TAAR1 receptor expressed in HEK293 cells after 30 mins
50040866	2	ChEMBL_882012 (CHEMBL2213507)	Agonist activity at rat TAAR1 receptor expressed in HEK293 cells after 30 mins
50040866	3	ChEMBL_882011 (CHEMBL2213506)	Agonist activity at mouse TAAR1 receptor expressed in HEK293 cells after 30 mins
50040866	4	ChEMBL_882008 (CHEMBL2213070)	Inhibition of human 5-HT1A receptor by CEREP assay
50040866	5	ChEMBL_882009 (CHEMBL2213071)	Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by beta counting analysis
50040867	1	ChEMBL_882272 (CHEMBL2216412)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50040867	2	ChEMBL_882270 (CHEMBL2216410)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellman's method
50040867	3	ChEMBL_882269 (CHEMBL2216409)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellman's method
50040867	4	ChEMBL_882471 (CHEMBL2211117)	Inhibition of electric eel AChE
50040868	1	ChEMBL_882742 (CHEMBL2214064)	Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by AlphaScreen assay
50040868	2	ChEMBL_882538 (CHEMBL2211628)	Inhibition of human VPS34 using phosphatidylinositol/phosphatidylserine as substrate after 30 mins by fluorescence-based immunoassay
50040868	3	ChEMBL_882539 (CHEMBL2211629)	Inhibition of recombinant N-terminal GST-tagged mTOR using GFP-4EBP as substrate after 90 mins by TR-FRET assay
50040868	4	ChEMBL_882540 (CHEMBL2211630)	Inhibition of human N-terminal polyHis-tagged PI3K p110delta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by AlphaScreen assay
50040868	5	ChEMBL_882541 (CHEMBL2211631)	Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by AlphaScreen assay
50040868	6	ChEMBL_882729 (CHEMBL2214051)	Inhibition of human N-terminal polyHis-tagged PI3K p110beta expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by AlphaScreen assay
50040869	2	ChEMBL_882784 (CHEMBL2215011)	Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cells
50040869	3	ChEMBL_882958 (CHEMBL2209792)	Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040869	4	ChEMBL_882790 (CHEMBL2215017)	Inhibition of human CYP2D6
50040869	5	ChEMBL_882999 (CHEMBL2210243)	Inhibition of 5HT1B receptor
50040869	6	ChEMBL_882998 (CHEMBL2210242)	Inhibition of muscarinic M3 receptor
50040869	7	ChEMBL_882997 (CHEMBL2209831)	Inhibition of muscarinic M2 receptor
50040869	8	ChEMBL_882996 (CHEMBL2209830)	Inhibition of muscarinic M1 receptor
50040869	9	ChEMBL_882995 (CHEMBL2209829)	Inhibition of alpha2C adrenergic receptor
50040869	11	ChEMBL_882993 (CHEMBL2209827)	Inhibition of alpha2A adrenergic receptor
50040869	12	ChEMBL_882992 (CHEMBL2209826)	Inhibition of alpha1D adrenergic receptor
50040869	13	ChEMBL_882990 (CHEMBL2209824)	Inhibition of alpha1B adrenergic receptor
50040869	14	ChEMBL_882991 (CHEMBL2209825)	Inhibition of alpha1A adrenergic receptor
50040869	15	ChEMBL_882959 (CHEMBL2209793)	Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040869	16	ChEMBL_882960 (CHEMBL2209794)	Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preincubated for 15 mins measured after 45 mins by liquid scintillation counting
50040870	1	ChEMBL_882822 (CHEMBL2215492)	Inhibition of recombinant His6-Tev-tagged LRRK2 expressed in baculovirus assessed as inhibition of LRRKtide phosphorylation by HTRF assay
50040871	1	ChEMBL_883058 (CHEMBL2210702)	Inhibition of MEKK1
50040871	2	ChEMBL_883061 (CHEMBL2210705)	Inhibition of MEK1
50040871	3	ChEMBL_883060 (CHEMBL2210704)	Inhibition of GSK3beta
50040871	4	ChEMBL_883063 (CHEMBL2210707)	Inhibition of JNK1
50040871	5	ChEMBL_883062 (CHEMBL2210706)	Inhibition of p38alpha
50040871	7	ChEMBL_883065 (CHEMBL2210709)	Inhibition of CDK2
50040871	9	ChEMBL_883067 (CHEMBL2210711)	Inhibition of ERK1
50040871	10	ChEMBL_883068 (CHEMBL2210712)	Inhibition of CK1delta
50040871	12	ChEMBL_883070 (CHEMBL2210714)	Inhibition of PKCtheta
50040871	13	ChEMBL_883072 (CHEMBL2210716)	Inhibition of IKKbeta
50040871	14	ChEMBL_883073 (CHEMBL2210717)	Inhibition of IR
50040871	15	ChEMBL_883074 (CHEMBL2210718)	Inhibition of Src
50040871	16	ChEMBL_883075 (CHEMBL2210719)	Inhibition of c-Kit
50040871	17	ChEMBL_883077 (CHEMBL2210721)	Inhibition of c-Met
50040871	18	ChEMBL_883076 (CHEMBL2210720)	Inhibition of TIE2
50040871	19	ChEMBL_883078 (CHEMBL2210722)	Inhibition of HER2
50040871	20	ChEMBL_883079 (CHEMBL2210723)	Inhibition of EGFR
50040871	21	ChEMBL_883081 (CHEMBL2210725)	Inhibition of PDGFRbeta
50040871	22	ChEMBL_883080 (CHEMBL2210724)	Inhibition of PDGFRalpha
50040871	23	ChEMBL_883082 (CHEMBL2210726)	Inhibition of FGFR3
50040871	24	ChEMBL_883083 (CHEMBL2210727)	Inhibition of c-RAF
50040871	25	ChEMBL_883084 (CHEMBL2210728)	Inhibition of wild type human BRAF (445 to 726) expressed in Sf9 insect cells
50040871	26	ChEMBL_883085 (CHEMBL2210729)	Inhibition of VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days
50040871	27	ChEMBL_883085 (CHEMBL2210729)	Inhibition of VEGFR2 in HUVEC assessed as reduction of VGF-stimulated cell proliferation after 5 days
50040872	1	ChEMBL_883309 (CHEMBL2213618)	Inhibition of PDE10A
50040873	1	ChEMBL_883326 (CHEMBL2213635)	Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter gene assay
50040874	1	ChEMBL_883819 (CHEMBL2212645)	Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2
50040874	2	ChEMBL_883814 (CHEMBL2212191)	Inhibition of Hsp90alpha
50040874	3	ChEMBL_883817 (CHEMBL2212643)	Binding affinity at Grp94 incubated for 16 hrs by fluorescence polarization competition assay
50040874	4	ChEMBL_883816 (CHEMBL2212642)	Binding affinity at TRAP1 incubated for 16 hrs by fluorescence polarization competition assay
50040874	5	ChEMBL_883818 (CHEMBL2212644)	Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay
50040875	1	ChEMBL_884032 (CHEMBL2215081)	Displacement of [125I]-CCL3 from human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs
50040875	2	ChEMBL_884038 (CHEMBL2215087)	Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis
50040875	3	ChEMBL_884039 (CHEMBL2215088)	Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation counting analysis
50040875	4	ChEMBL_884037 (CHEMBL2215086)	Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis
50040875	5	ChEMBL_884030 (CHEMBL2215079)	Displacement of [125I]-CCL3 from human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr after 3 hrs
50040876	1	ChEMBL_884097 (CHEMBL2215573)	Binding affinity to M5 muscarinic receptor
50040876	2	ChEMBL_884094 (CHEMBL2215570)	Binding affinity to M4 muscarinic receptor
50040876	3	ChEMBL_884093 (CHEMBL2215569)	Binding affinity to M3 muscarinic receptor
50040876	4	ChEMBL_884092 (CHEMBL2215568)	Binding affinity to M2 muscarinic receptor
50040876	5	ChEMBL_884088 (CHEMBL2215564)	Binding affinity to 5-HT7 receptor
50040876	6	ChEMBL_884073 (CHEMBL2215549)	Binding affinity to 5-HT1B receptor
50040876	7	ChEMBL_884328 (CHEMBL2210361)	Binding affinity to 5-HT6 receptor
50040876	8	ChEMBL_884327 (CHEMBL2210360)	Binding affinity to 5-HT5A receptor
50040876	9	ChEMBL_884059 (CHEMBL2215108)	Binding affinity to alpha2C adrenergic receptor
50040876	10	ChEMBL_884323 (CHEMBL2210356)	Binding affinity to Histamine H1 receptor
50040876	11	ChEMBL_884082 (CHEMBL2215558)	Binding affinity to kappa opioid receptor
50040876	12	ChEMBL_884321 (CHEMBL2210354)	Binding affinity to D5 dopamine receptor
50040876	13	ChEMBL_884076 (CHEMBL2215552)	Binding affinity to 5-HT2A receptor
50040876	14	ChEMBL_884080 (CHEMBL2215556)	Binding affinity to mu opioid receptor
50040876	15	ChEMBL_884098 (CHEMBL2215574)	Binding affinity to NET
50040876	16	ChEMBL_884089 (CHEMBL2215565)	Binding affinity to M1 muscarinic receptor
50040876	17	ChEMBL_884087 (CHEMBL2215563)	Binding affinity to SERT
50040876	18	ChEMBL_884070 (CHEMBL2215119)	Binding affinity to Histamine H2 receptor
50040876	19	ChEMBL_884055 (CHEMBL2215104)	Binding affinity to alpha1B adrenergic receptor
50040876	20	ChEMBL_884054 (CHEMBL2215103)	Binding affinity to alpha1A adrenergic
50040876	22	ChEMBL_884324 (CHEMBL2210357)	Binding affinity to Histamine H3 receptor
50040876	23	ChEMBL_884322 (CHEMBL2210355)	Binding affinity to DAT
50040876	24	ChEMBL_884319 (CHEMBL2210352)	Binding affinity to D2 dopamine receptor
50040876	25	ChEMBL_884050 (CHEMBL2215099)	Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor
50040876	26	ChEMBL_884326 (CHEMBL2210359)	Binding affinity to 5-HT2C receptor
50040876	27	ChEMBL_884325 (CHEMBL2210358)	Binding affinity to 5-HT2B receptor
50040876	28	ChEMBL_884320 (CHEMBL2210353)	Binding affinity to D4 dopamine receptor
50040876	29	ChEMBL_884312 (CHEMBL2210345)	Binding affinity to D3 dopamine receptor
50040876	30	ChEMBL_884332 (CHEMBL2210365)	Binding affinity to alpha2A adrenergic receptor
50040876	31	ChEMBL_884318 (CHEMBL2210351)	Binding affinity to D1 dopamine receptor
50040877	1	ChEMBL_881598 (CHEMBL2215921)	Displacement of [3H]JNJ-40068782 from human mGLuR2 expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50040877	2	ChEMBL_881600 (CHEMBL2215923)	Agonist activity at human mGLuR2 expressed in CHO cell membrane assessed as [32S]GTPgammaS after 30 mins by scintillation counting
50040877	3	ChEMBL_881328 (CHEMBL2212510)	Binding affinity to DAT
50040878	1	ChEMBL_881601 (CHEMBL2215924)	Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay
50040878	3	ChEMBL_882387 (CHEMBL2210214)	Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay
50040878	2	ChEMBL_882379 (CHEMBL2209784)	Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay
50040879	1	ChEMBL_881822 (CHEMBL2211081)	Displacement of [3H]8- OH-DPAT from human 5-HT1A by CEREP assay
50040879	2	ChEMBL_883889 (CHEMBL2213174)	Displacement of [3H]LSD from human 5-HT6 receptor
50040879	3	ChEMBL_883890 (CHEMBL2213175)	Displacement of [3H]UK 14.304 from human adrenergic alpha2A receptor
50040879	4	ChEMBL_881821 (CHEMBL2211080)	Displacement of [3H]ketanserin from human 5-HT2A by CEREP assay
50040879	5	ChEMBL_881848 (CHEMBL2211557)	Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition binding assay
50040879	6	ChEMBL_881850 (CHEMBL2211559)	Displacement of [3H]imipramine from human SERT expressed in CHO cells by competition binding assay
50040879	7	ChEMBL_881851 (CHEMBL2211560)	Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay
50040879	8	ChEMBL_881852 (CHEMBL2211561)	Displacement of [3H]methylspiperone from human low affinity Dopamine D2S receptor by competition binding assay
50040879	9	ChEMBL_883880 (CHEMBL2213165)	Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor by CEREP assay
50040880	1	ChEMBL_883356 (CHEMBL2214092)	Binding affinity to FLT3
50040880	2	ChEMBL_883357 (CHEMBL2214093)	Binding affinity to Aurora A kinase
50040880	5	ChEMBL_883358 (CHEMBL2214094)	Inhibition of human ERG by whole-cell voltage clamping
50040880	6	ChEMBL_883358 (CHEMBL2214094)	Inhibition of human ERG by whole-cell voltage clamping
50040880	8	ChEMBL_883345 (CHEMBL2214081)	Inhibition of human liver microsome CYP2D6 by LC-MS-MS analysis
50040880	9	ChEMBL_883347 (CHEMBL2214083)	Inhibition of human liver microsome CYP2C19 using mephenytoin as a substrate by LC-MS-MS analysis
50040880	10	ChEMBL_883346 (CHEMBL2214082)	Inhibition of human liver microsome CYP2C9 by LC-MS-MS analysis
50040880	11	ChEMBL_883348 (CHEMBL2214084)	Inhibition of human liver microsome CYP1A2 by LC-MS-MS analysis
50040880	12	ChEMBL_883349 (CHEMBL2214085)	Inhibition of human liver microsome CYP3A4 by LC-MS-MS analysis
50040881	1	ChEMBL_883382 (CHEMBL2214581)	Inhibition of PI3Kdelta by HTRF assay in presence of ATP
50040881	2	ChEMBL_883381 (CHEMBL2214580)	Inhibition of PI3Kgamma by HTRF assay in presence of ATP
50040881	3	ChEMBL_883383 (CHEMBL2214582)	Inhibition of PI3Kbeta by HTRF assay in presence of ATP
50040881	4	ChEMBL_883384 (CHEMBL2214583)	Inhibition of PI3Kalpha by HTRF assay in presence of ATP
50001366	6	ChEBML_1717759	Inhibition of human DPP4
50040882	1	ChEMBL_883393 (CHEMBL2214592)	Inhibition of human recombinant COX2 using PGG2 as substrate and N,N,N,N-tetramethyl-p-phenylnediamine measured for 25 secs by spectrophotometric analysis
50040883	1	ChEMBL_884122 (CHEMBL2216052)	Displacement of FITC-Smac from human recombinant His-tagged cIAP-1 BIR3 domain (245 to 357 residues) after 3 hrs by fluorescent polarization assay
50040883	2	ChEMBL_884121 (CHEMBL2216051)	Displacement of Smac-1F from human His-tagged XIAP linker BIR2-BIR3 linker (124 to 356 residues) after 3 hrs by fluorescent polarization assay
50040883	3	ChEMBL_884123 (CHEMBL2216053)	Displacement of FITC-Smac from human His-tagged XIAP BIR3 domain (241 to 356 residues) after 3 hrs by fluorescent polarization assay
50040884	1	ChEMBL_882108 (CHEMBL2214496)	Inhibition of TCPTP by para-nitrophenyl phosphate release assay
50040884	2	ChEMBL_882109 (CHEMBL2214497)	Inhibition of PTP1B by para-nitrophenyl phosphate release assay
50040884	3	ChEMBL_882103 (CHEMBL2214491)	Competitive inhibition of PTP1B by para-nitrophenyl phosphate release assay
50040885	1	ChEMBL_882140 (CHEMBL2214972)	Inhibition of QPP
50040885	2	ChEMBL_882141 (CHEMBL2214973)	Inhibition of DPP8
50040885	3	ChEMBL_882139 (CHEMBL2214527)	Inhibition of DPP9
50040885	4	ChEMBL_882142 (CHEMBL2214974)	Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay
50040886	1	ChEMBL_882144 (CHEMBL2214976)	Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50040886	2	ChEMBL_882143 (CHEMBL2214975)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50040887	1	ChEMBL_882149 (CHEMBL2214981)	Inhibition of [3H]-D-aspartate uptake at human EAAT1 expressed in HEK293 cells after 6 mins by scintillation counting
50040887	2	ChEMBL_882147 (CHEMBL2214979)	Inhibition of [3H]-D-aspartate uptake at human EAAT3 expressed in HEK293 cells after 6 mins by scintillation counting
50040887	3	ChEMBL_882148 (CHEMBL2214980)	Inhibition of [3H]-D-aspartate uptake at human EAAT2 expressed in HEK293 cells after 6 mins by scintillation counting
50040888	1	ChEMBL_882641 (CHEMBL2213078)	Binding affinity to CCR1 by 35S-gamma-GTP membrane assay
50040888	2	ChEMBL_882640 (CHEMBL2213077)	Binding affinity to CCR4 by 35S-gamma-GTP membrane assay
50040888	3	ChEMBL_882642 (CHEMBL2213079)	Binding affinity to CCR2 by 35S-gamma-GTP membrane assay
50040888	4	ChEMBL_882625 (CHEMBL2212598)	Inhibition of cytochrome P450 2C9
50040888	5	ChEMBL_882623 (CHEMBL2212596)	Binding affinity to murine CCR2
50040888	6	ChEMBL_882150 (CHEMBL2214982)	Inhibition of cytochrome P450 3A4
50040888	7	ChEMBL_882620 (CHEMBL2212593)	Antagonist activity at CCR2 in human whole blood assessed as inhibition of CCL2-stimulated monocyte shape change
50040888	8	ChEMBL_882627 (CHEMBL2212600)	Inhibition of cytochrome P450 2C19
50040888	9	ChEMBL_882626 (CHEMBL2212599)	Inhibition of cytochrome P450 2D6
50040888	10	ChEMBL_882628 (CHEMBL2212601)	Inhibition of cytochrome P450 1A2
50040888	11	ChEMBL_882624 (CHEMBL2212597)	Binding affinity to human CCR2
50040888	12	ChEMBL_882638 (CHEMBL2213075)	Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 1% human serum
50040888	13	ChEMBL_882639 (CHEMBL2213076)	Antagonist activity at CCR2 assessed as inhibition of CCL2-stimulated THP-1 cell chemotaxis in presence of 0.1% human serum
50040889	1	ChEMBL_887068 (CHEMBL2213859)	Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay
50040890	1	ChEMBL_887114 (CHEMBL2214339)	Antagonist activity at estrogen receptor by cellular reporter gene assay
50040890	2	ChEMBL_887115 (CHEMBL2214340)	Antagonist activity at mineralocorticoid receptor by cellular reporter gene assay
50040890	3	ChEMBL_887116 (CHEMBL2214341)	Antagonist activity at glucocorticoid receptor by cellular reporter gene assay
50040890	4	ChEMBL_887117 (CHEMBL2214342)	Antagonist activity at androgen receptor by cellular reporter gene assay
50040890	5	ChEMBL_887118 (CHEMBL2214343)	Antagonist activity at progesterone receptor by cellular reporter gene assay
50040890	6	ChEMBL_887262 (CHEMBL2215818)	Agonist activity at glucocorticoid receptor by cellular reporter gene assay
50040890	7	ChEMBL_887272 (CHEMBL2216251)	Antagonist activity against progesterone receptor in human T47D cells by alkaline phosphatase assay
50040891	1	ChEMBL_887296 (CHEMBL2216275)	Inhibition of human ERG overexpressed in HEK cells
50001366	8	ChEBML_1717762	Inhibition of DPP2 (unknown origin)
50001366	9	ChEBML_1717760	Inhibition of DPP8 (unknown origin)
50001366	10	ChEBML_1717761	Inhibition of bovine DPP9
50001366	12	ChEMBL_1717763 (CHEMBL4132763)	Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate preincubated for 15 mins
50001366	11	ChEBML_1717759	Inhibition of human DPP4
50040891	4	ChEMBL_887301 (CHEMBL2216280)	Inhibition of CHK2 using Biotin- KKKVSRSGLYRSPSMPENLNRPR as substrate after 30 mins by DELFIA assay in presence of ATP
50001358	1	ChEBML_1717764	Inhibition of N-terminal biotinylated DYKDDDDK tagged human VEGFR2 (790 to 1356 end residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by fluorescein amidite-labelled peptide substrate addition measured after 1 hr by mobility shift assay
50001358	2	ChEBML_1717766	Inhibition of N-terminal GST tagged human PDGFRbeta (557 to 1106 end residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by fluorescein amidite-labelled peptide substrate addition measured after 1 hr by mobility shift assay
50001358	3	ChEBML_1717792	Inhibition of N-terminal GST tagged human FGFR1 (398 to 822 end residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by fluorescein amidite-labelled peptide substrate addition measured after 1 hr by mobility shift assay
50001358	4	ChEBML_1717790	Inhibition of N-terminal GST tagged human PDGFRalpha (550 to 1089 end residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by fluorescein amidite-labelled peptide substrate addition measured after 1 hr by mobility shift assay
50001358	5	ChEBML_1717791	Inhibition of N-terminal GST tagged human VEGFR3 (798 to 1298 end residues) cytoplasmic domain expressed in baculovirus expression system preincubated for 10 mins followed by fluorescein amidite-labelled peptide substrate addition measured after 1 hr by mobility shift assay
50040893	1	ChEMBL_884831 (CHEMBL2216585)	Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method
50040894	1	ChEMBL_884847 (CHEMBL2209484)	Displacement of [3H]QNB from human recombinant M4 receptor after 1.5 hrs by scintillation counting analysis
50040894	2	ChEMBL_884851 (CHEMBL2209488)	Displacement of [3H]LY278584 from human recombinant 5-HT3 receptor after 1.5 hrs by scintillation counting analysis
50040894	3	ChEMBL_884848 (CHEMBL2209485)	Displacement of [3H]N-methylspiperone from dopamine D3 receptor after 1.5 hrs by scintillation counting analysis
50040894	4	ChEMBL_884853 (CHEMBL2209490)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 1.5 hrs by scintillation counting analysis
50040894	5	ChEMBL_884849 (CHEMBL2209486)	Displacement of [3H]clonidine from alpha2C adrenergic receptor after 40 mins by scintillation counting analysis
50040894	6	ChEMBL_884850 (CHEMBL2209487)	Displacement of [3H]clonidine from alpha2A adrenergic receptor after 40 mins by scintillation counting analysis
50040894	7	ChEMBL_884852 (CHEMBL2209489)	Displacement of [3H]LSD from human recombinant 5-HT2B receptor after 1.5 hrs by scintillation counting analysis
50040894	8	ChEMBL_884960 (CHEMBL2210826)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by scintillation counting
50040895	1	ChEMBL_884984 (CHEMBL2211244)	Antagonist activity at rat mGluR1
50040895	2	ChEMBL_884985 (CHEMBL2211245)	Antagonist activity at human mGluR5
50040895	3	ChEMBL_884986 (CHEMBL2211246)	Antagonist activity at human mGluR1
50040896	1	ChEMBL_885011 (CHEMBL2211271)	Inhibition of SERT
50040896	2	ChEMBL_885012 (CHEMBL2211272)	Inhibition of DAT
50040896	3	ChEMBL_885013 (CHEMBL2211273)	Inhibition of human NET
50040896	4	ChEMBL_885007 (CHEMBL2211267)	Inhibition of CYP2D6
50040896	5	ChEMBL_885010 (CHEMBL2211270)	Inhibition of rat NET
50040897	1	ChEMBL_885020 (CHEMBL2211744)	Competitive inhibition of secreted PAM in human DMS53 cell culture medium using as(R)-Tyr-(S)-Val-Gly as substrate after 2 hrs by HPLC analysis
50040897	2	ChEMBL_885021 (CHEMBL2211745)	Competitive inhibition of PAM in human DMS53 cells using as(R)-Tyr-(S)-Val-Gly as substrate after 2 hrs by HPLC analysis
50040898	1	ChEMBL_885154 (CHEMBL2213245)	Inhibition of cathepsin L using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence assay
50040898	2	ChEMBL_885155 (CHEMBL2213246)	Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence assay
50040898	3	ChEMBL_885153 (CHEMBL2213244)	Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells assessed as IL-2 level
50040899	2	ChEMBL_885179 (CHEMBL2213713)	Inhibition of guanase
50040900	1	ChEMBL_885387 (CHEMBL2216128)	Activation of recombinant human glucokinase assessed measuring rate of glucose 6-phosphate formation using G6PDH/NADP coupling
50040900	2	ChEMBL_885380 (CHEMBL2215682)	Activation of recombinant rat glucokinase assessed measuring rate of glucose 6-phosphate formation using G6PDH/NADP coupling
50040900	3	ChEMBL_885376 (CHEMBL2215678)	Inhibition of human ERG by patch clamp assay
50040901	1	ChEMBL_885568 (CHEMBL2210426)	Inhibition of HDAC6 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay
50040901	2	ChEMBL_885567 (CHEMBL2210425)	Inhibition of HDAC3 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay
50040901	3	ChEMBL_885569 (CHEMBL2210427)	Inhibition of HDAC1 using Fluor-de-Lys as substrate compound pretreated for 30 mins before substrate addition by fluorescence assay
50040902	1	ChEMBL_886105 (CHEMBL2210027)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in human Jurkat cell membrane
50040903	1	ChEMBL_886108 (CHEMBL2210030)	Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins
50040904	1	ChEMBL_886297 (CHEMBL2212340)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50040904	2	ChEMBL_886298 (CHEMBL2212341)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50040904	3	ChEMBL_886299 (CHEMBL2212342)	Antagonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50040905	1	ChEMBL_886313 (CHEMBL2212356)	Inhibition of IKKepsilon
50040905	2	ChEMBL_886427 (CHEMBL2213799)	Inhibition of CDK2
50040905	4	ChEMBL_886429 (CHEMBL2213801)	Inhibition of BRSK2
50040905	5	ChEMBL_886431 (CHEMBL2213803)	Inhibition of MARK3
50040905	6	ChEMBL_886432 (CHEMBL2213804)	Inhibition of MNK1
50040905	7	ChEMBL_886437 (CHEMBL2213809)	Inhibition of TBK1-mediated RANTES release in LPS-stimulated mouse RAW264.7 cells compound incubated for 30 mins prior LPS challenge measured after 6 hrs by ELISA
50040905	8	ChEMBL_886438 (CHEMBL2213810)	Inhibition of PDK1 by radiometry
50040905	9	ChEMBL_886439 (CHEMBL2213811)	Inhibition of TBK1 by radiometry
50040906	1	ChEMBL_886475 (CHEMBL2214286)	Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counting analysis
50040906	2	ChEMBL_886474 (CHEMBL2214285)	Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counting analysis
50040906	3	ChEMBL_886463 (CHEMBL2214274)	Displacement of [3H]URDE257 from human histamine H2 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counting analysis
50040906	4	ChEMBL_886464 (CHEMBL2214275)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counting analysis
50040906	5	ChEMBL_886473 (CHEMBL2214284)	Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes after 60 mins by scintillation counting analysis
50040906	6	ChEMBL_886467 (CHEMBL2214278)	Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis
50040906	7	ChEMBL_886470 (CHEMBL2214281)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50040906	8	ChEMBL_886471 (CHEMBL2214282)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50040906	9	ChEMBL_886472 (CHEMBL2214283)	Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50040907	1	ChEMBL_886572 (CHEMBL2215732)	Inhibition of GSK3beta by kinase-glo assay method
50040907	2	ChEMBL_886573 (CHEMBL2215733)	Non-ATP competitive inhibition of GSK3beta
50040908	1	ChEMBL_886576 (CHEMBL2215736)	Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method
50040908	2	ChEMBL_886575 (CHEMBL2215735)	Inhibition of liver glucosidase in Swiss mouse liver extracts
50040909	1	ChEMBL_886581 (CHEMBL2215741)	Inhibition of MAO-B assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay
50040909	2	ChEMBL_886582 (CHEMBL2215742)	Inhibition of MAO-A assessed as inhibition of kyneuramine conversion to 4-hydroxyquinoline after 20 mins by fluorescence assay
50040910	1	ChEMBL_886593 (CHEMBL2215753)	Transactivation of human GAL4-fused PPARgamma ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay
50040910	2	ChEMBL_886596 (CHEMBL2215756)	Transactivation of human GAL4-fused PPARalpha ligand binding domain transfected in HEK293 cells after 18 hrs by dual luciferase reporter gene assay
50040911	1	ChEMBL_886706 (CHEMBL2209606)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum membranes
50040911	2	ChEMBL_886707 (CHEMBL2209607)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum
50040911	3	ChEMBL_886708 (CHEMBL2209608)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum
50040912	1	ChEMBL_886734 (CHEMBL2209634)	Inhibition of recombinant PKCdelta after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	2	ChEMBL_886833 (CHEMBL2210937)	Inhibition of recombinant PLK4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	4	ChEMBL_886718 (CHEMBL2209618)	Competitive inhibition of PLK1 in presence of ATP
50040912	5	ChEMBL_886834 (CHEMBL2210938)	Inhibition of recombinant PLK3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	6	ChEMBL_886836 (CHEMBL2210940)	Inhibition of recombinant PLK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	7	ChEMBL_886719 (CHEMBL2209619)	Competitive inhibition of human PLK1 in presence of ATP
50040912	8	ChEMBL_886749 (CHEMBL2210063)	Inhibition of recombinant IRAK4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	9	ChEMBL_886737 (CHEMBL2209637)	Inhibition of recombinant PAK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	10	ChEMBL_886738 (CHEMBL2210052)	Inhibition of recombinant NEK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	11	ChEMBL_886739 (CHEMBL2210053)	Inhibition of recombinant MK3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	12	ChEMBL_886829 (CHEMBL2210933)	Inhibition of recombinant AKT3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	13	ChEMBL_886825 (CHEMBL2210929)	Inhibition of recombinant CAMK4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	14	ChEMBL_886830 (CHEMBL2210934)	Inhibition of recombinant AKT2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	15	ChEMBL_886841 (CHEMBL2210945)	Inhibition of recombinant AKT1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	16	ChEMBL_886823 (CHEMBL2210927)	Inhibition of recombinant CK1delta after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	17	ChEMBL_886831 (CHEMBL2210935)	Inhibition of recombinant ABL after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	18	ChEMBL_886821 (CHEMBL2210925)	Inhibition of recombinant DYRK1A after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	19	ChEMBL_886723 (CHEMBL2209623)	Inhibition of recombinant TRKB after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	3	ChEMBL_886837 (CHEMBL2210941)	Inhibition of PLK1 in human MIAPaCa2 cells after 48 hrs by MTT assay
50040912	20	ChEMBL_886835 (CHEMBL2210939)	Inhibition of recombinant CDC42 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	21	ChEMBL_886817 (CHEMBL2210921)	Inhibition of recombinant ERBB4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	23	ChEMBL_886745 (CHEMBL2210059)	Inhibition of recombinant JNK1A1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	24	ChEMBL_886819 (CHEMBL2210923)	Inhibition of recombinant EPHA2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	25	ChEMBL_886724 (CHEMBL2209624)	Inhibition of recombinant TRKA after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	26	ChEMBL_886725 (CHEMBL2209625)	Inhibition of recombinant TYK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	27	ChEMBL_886726 (CHEMBL2209626)	Inhibition of recombinant SRC after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	28	ChEMBL_886809 (CHEMBL2210500)	Inhibition of recombinant IGF1R after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	29	ChEMBL_886820 (CHEMBL2210924)	Inhibition of recombinant EGFR after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	30	ChEMBL_886746 (CHEMBL2210060)	Inhibition of recombinant JAK3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	31	ChEMBL_886741 (CHEMBL2210055)	Inhibition of recombinant LYN after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	32	ChEMBL_886748 (CHEMBL2210062)	Inhibition of recombinant ITK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	33	ChEMBL_886732 (CHEMBL2209632)	Inhibition of recombinant PIM2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	34	ChEMBL_886818 (CHEMBL2210922)	Inhibition of recombinant ERBB2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	35	ChEMBL_886828 (CHEMBL2210932)	Inhibition of recombinant BLK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	36	ChEMBL_886816 (CHEMBL2210920)	Inhibition of recombinant ERK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	37	ChEMBL_886721 (CHEMBL2209621)	Inhibition of recombinant P38delta after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	38	ChEMBL_886827 (CHEMBL2210931)	Inhibition of recombinant CTAK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	39	ChEMBL_886720 (CHEMBL2209620)	Inhibition of recombinant EMK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	40	ChEMBL_886740 (CHEMBL2210054)	Inhibition of recombinant MST2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	41	ChEMBL_886822 (CHEMBL2210926)	Inhibition of recombinant CSF1R after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50001367	1	ChEMBL_1717836 (CHEMBL4132836)	Antagonist activity at CXCR4 in human U87-MG cells assessed as inhibition of CXCL12-induced cell proliferation after 1 hr by MTT assay
50001367	2	ChEBML_1717829	Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced receptor activation
50040912	42	ChEMBL_886722 (CHEMBL2209622)	Inhibition of recombinant c-MET after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	43	ChEMBL_886733 (CHEMBL2209633)	Inhibition of recombinant PIM1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50001367	3	ChEMBL_1717832 (CHEMBL4132832)	Binding affinity to CXCR4 in human MDA-MB-231 cells preincubated for 15 mins followed by biotinylated TN41003 addition measured after 30 mins by rhodamine staining-based assay
50001367	4	ChEMBL_1717830 (CHEMBL4132830)	Displacement of [125I]-SDF-1alpha from CXCR4 in human MDA-MB-231 cells after 60 mins by gamma-counting analysis
50040912	44	ChEMBL_886815 (CHEMBL2210919)	Inhibition of recombinant FGFR3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	45	ChEMBL_886747 (CHEMBL2210061)	Inhibition of recombinant JAK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	46	ChEMBL_886728 (CHEMBL2209628)	Inhibition of recombinant RSK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	47	ChEMBL_886813 (CHEMBL2210917)	Inhibition of recombinant FLT3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	48	ChEMBL_886729 (CHEMBL2209629)	Inhibition of recombinant ROCK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	49	ChEMBL_886840 (CHEMBL2210944)	Inhibition of recombinant CDK5 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	50	ChEMBL_886832 (CHEMBL2210936)	Inhibition of recombinant AMPK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	51	ChEMBL_886812 (CHEMBL2210916)	Inhibition of recombinant FYN after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	52	ChEMBL_886744 (CHEMBL2210058)	Inhibition of recombinant JNK2A2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	53	ChEMBL_886727 (CHEMBL2209627)	Inhibition of recombinant SGK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	54	ChEMBL_886730 (CHEMBL2209630)	Inhibition of recombinant ROCK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	55	ChEMBL_886743 (CHEMBL2210057)	Inhibition of recombinant LIMK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	56	ChEMBL_886731 (CHEMBL2209631)	Inhibition of recombinant PKD2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	58	ChEMBL_886810 (CHEMBL2210501)	Inhibition of recombinant GSK3B after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	59	ChEMBL_886742 (CHEMBL2210056)	Inhibition of recombinant KDR after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	60	ChEMBL_886826 (CHEMBL2210930)	Inhibition of recombinant CHK2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	61	ChEMBL_886736 (CHEMBL2209636)	Inhibition of recombinant PDK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50001367	5	ChEMBL_1717828 (CHEMBL4132828)	Antagonist activity at CXCR4 (unknown origin)
50040912	62	ChEMBL_886811 (CHEMBL2210502)	Inhibition of recombinant GSK3A after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50040912	63	ChEMBL_886814 (CHEMBL2210918)	Inhibition of recombinant FLT1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP
50001367	6	ChEMBL_1717835 (CHEMBL4132835)	Antagonist activity at CXCR4 in human MOLT-4 cells assessed as decrease in SDF-1alpha induced cytosolic Ca2+ levels preincubated for 30 mins followed by SDF-1alpha addition by FACS analysis
50040913	1	ChEMBL_887122 (CHEMBL2214347)	Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method
50040914	1	ChEMBL_887136 (CHEMBL2214816)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measured after 30 to 45 mins in presence of human whole blood
50040914	2	ChEMBL_887144 (CHEMBL2214824)	Inhibition of CYP2D6
50040914	3	ChEMBL_887157 (CHEMBL2214837)	Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr after 30 mins
50040914	4	ChEMBL_887145 (CHEMBL2214825)	Inhibition of CYP2C19
50040914	5	ChEMBL_887147 (CHEMBL2214827)	Inhibition of CYP2C9
50040914	6	ChEMBL_887146 (CHEMBL2214826)	Inhibition of CYP3A4
50040914	7	ChEMBL_887148 (CHEMBL2214828)	Inhibition of CYP1A2
50040914	8	ChEMBL_887155 (CHEMBL2214835)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measured after 30 to 45 mins
50040915	1	ChEMBL_884695 (CHEMBL2215143)	Inhibition of human ERG expressed in HEK cells by ion flux assay
50040915	2	ChEMBL_884700 (CHEMBL2215148)	Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr
50040915	3	ChEMBL_884699 (CHEMBL2215147)	Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1 cells after 2 hrs by scintillation counting
50040915	4	ChEMBL_884698 (CHEMBL2215146)	Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs
50040916	1	ChEMBL_884720 (CHEMBL2215601)	Displacement of [3H]U-69,593 from kappa opioid receptor in mouse whole brain without cerebellum
50040916	2	ChEMBL_884721 (CHEMBL2215602)	Displacement of [3H]DHDPE from delta opioid receptor in mouse whole brain without cerebellum
50040916	3	ChEMBL_884722 (CHEMBL2215603)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig cerebellum
50040917	1	ChEMBL_884910 (CHEMBL2209966)	Inhibition of hemagglutininin in Influenza A virus (A/X-31(H3N2)) infected in chicken red blood cells assessed as inhibition of hemolysis preincubated for 1 hr prior to addition of red blood cells measured at pH 5.0 by spectrophotometric analysis
50040918	1	ChEMBL_885030 (CHEMBL2211754)	Inhibition of ALK5-mediated TNFalpha-induced Smad2/3 phosphorylation in human A549 cells preincubated for 2 hrs before addition of TNFalpha after 1 hr by fluorescence analysis
50040918	2	ChEMBL_885031 (CHEMBL2211755)	Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA
50040918	3	ChEMBL_885026 (CHEMBL2211750)	Inhibition of KDR
50040919	1	ChEMBL_885043 (CHEMBL2211767)	Inhibition of LAR
50040919	2	ChEMBL_885042 (CHEMBL2211766)	Inhibition of SHP-1
50040919	3	ChEMBL_885044 (CHEMBL2211768)	Inhibition of TCPTP
50040919	4	ChEMBL_885045 (CHEMBL2211769)	Inhibition of recombinant PTP1B using para-nitrophenylphosphate as substrate by high throughput screening assay
50040920	1	ChEMBL_885068 (CHEMBL2212252)	Inhibition of human recombinant cathepsin B using Z-Arg-Arg-pNA as substrate after 80 mins by fluorimetric analysis
50040920	2	ChEMBL_885070 (CHEMBL2212254)	Inhibition of human recombinant cathepsin B using Z-Arg-Arg-pNA as substrate after 10 mins by fluorimetric analysis
50040920	3	ChEMBL_885069 (CHEMBL2212253)	Inhibition of human recombinant cathepsin K using Z-Leu-Arg-AMC as substrate after 80 mins by fluorimetric analysis
50040920	4	ChEMBL_885071 (CHEMBL2212255)	Inhibition of human recombinant cathepsin K using Z-Leu-Arg-AMC as substrate after 10 mins by fluorimetric analysis
50040920	5	ChEMBL_885072 (CHEMBL2212256)	Inhibition of human recombinant cathepsin S using Z-Phe-Arg-pNA as substrate after 80 mins by fluorimetric analysis
50040920	6	ChEMBL_885073 (CHEMBL2212257)	Inhibition of human recombinant cathepsin S using Z-Phe-Arg-pNA as substrate after 10 mins by fluorimetric analysis
50040921	1	ChEMBL_885082 (CHEMBL2212266)	Inhibition of human recombinant GLO1 expressed in Escherichia coli BL21 assessed as decrease in reduced glutathione level after 1 hr by Ellman's method
50040922	1	ChEMBL_885217 (CHEMBL2214190)	Inhibition of tobacco hornworm V-ATPase c subunit
50040923	1	ChEMBL_885260 (CHEMBL2214233)	Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay
50040923	2	ChEMBL_885261 (CHEMBL2214689)	Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins prior to substrate addition measured after 90 mins by fluorimetric analysis
50040924	1	ChEMBL_885406 (CHEMBL2216147)	Inhibition of human recombinant MAOA expressed in insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50040924	2	ChEMBL_885405 (CHEMBL2216146)	Inhibition of human recombinant MAOB expressed in insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50040924	3	ChEMBL_885271 (CHEMBL2214699)	Inhibition of human recombinant MAOB
50040925	1	ChEMBL_885411 (CHEMBL2216152)	Inhibition of human PI3Kgamma using phosphatidylinositol as substrate and [33gammaP]ATP after 2 hrs by scintillation counting
50040925	2	ChEMBL_885412 (CHEMBL2216153)	Inhibition of PI3Kgamma
50040925	3	ChEMBL_885414 (CHEMBL2216155)	Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as inhibition of C5a-induced PKB/Akt phosphorylation incubated for 30 mins prior to C5a-induction measured after 5 mins by immunostaining method
50040925	4	ChEMBL_885413 (CHEMBL2216154)	Inhibition of human PI3Kalpha using phosphatidylinositol as substrate and [33gammaP]ATP after 2 hrs by scintillation counting
50040926	1	ChEMBL_885467 (CHEMBL2209519)	Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis
50040927	1	ChEMBL_885588 (CHEMBL2210857)	Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis
50040927	2	ChEMBL_885589 (CHEMBL2210858)	Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis
50040928	1	ChEMBL_885616 (CHEMBL2211288)	Inhibition of human PTP1B (1 to 321 amino acid residues) expressed in Escherichia coli using TRDI(pY)E as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by malachite green staining-based colorimetric assay
50040929	1	ChEMBL_885769 (CHEMBL2213280)	Inhibition of human recombinant MAO-B expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50040929	2	ChEMBL_885770 (CHEMBL2213281)	Inhibition of human recombinant MAO-A expressed in insect cell microsome assessed as 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50040929	3	ChEMBL_885640 (CHEMBL2211312)	Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Morrison equation analysis
50040929	4	ChEMBL_885641 (CHEMBL2211313)	Competitive inhibition of human recombinant MAO-B expressed in insect cell microsome using kynuramine as substrate by Lineweaver-Burk plot analysis
50040930	1	ChEMBL_885821 (CHEMBL2213779)	Inhibition of bovine pancreatic RNase A
50040930	2	ChEMBL_885935 (CHEMBL2215697)	Inhibition of ANG
50040930	3	ChEMBL_885938 (CHEMBL2215700)	Inhibition of EDN
50040930	4	ChEMBL_885937 (CHEMBL2215699)	Inhibition of RNase A
50040931	1	ChEMBL_885939 (CHEMBL2215701)	Inhibition of IGF1-R by AlphaScreen analysis
50040931	2	ChEMBL_885942 (CHEMBL2215704)	Inhibition of insulin receptor by AlphaScreen analysis
50040931	3	ChEMBL_885941 (CHEMBL2215703)	Inhibition of Tie-2 by AlphaScreen analysis
50040931	4	ChEMBL_885940 (CHEMBL2215702)	Inhibition of c-Met by AlphaScreen analysis
50040931	5	ChEMBL_885943 (CHEMBL2215705)	Inhibition of GSK3beta using [gamma-33P]ATP by AlphaScreen analysis
50040931	6	ChEMBL_885945 (CHEMBL2215707)	Inhibition of B-raf using [gamma-33P]ATP by AlphaScreen analysis
50040931	7	ChEMBL_885944 (CHEMBL2215706)	Inhibition of c-Kit by AlphaScreen analysis
50040931	8	ChEMBL_885947 (CHEMBL2215709)	Inhibition of FGFR4 using FGFR4 and ATP by AlphaScreen analysis
50040931	9	ChEMBL_885946 (CHEMBL2215708)	Inhibition of FGFR3 by AlphaScreen analysis
50040931	10	ChEMBL_885949 (CHEMBL2215711)	Inhibition of FGFR1 by AlphaScreen analysis
50040931	11	ChEMBL_885948 (CHEMBL2215710)	Inhibition of PDGFRbeta by AlphaScreen analysis
50040931	12	ChEMBL_885951 (CHEMBL2215713)	Inhibition of PDGFRalpha by AlphaScreen analysis
50040931	13	ChEMBL_885950 (CHEMBL2215712)	Inhibition of VEGFR1 by AlphaScreen analysis
50040931	14	ChEMBL_885952 (CHEMBL2215714)	Inhibition of human VEGFR2 for 5 mins prior to addition of 10 uM ATP using poly-GluTyr by AlphaScreen analysis
50040932	1	ChEMBL_885953 (CHEMBL2215715)	Inhibition of candida albicans SAP2
50040932	2	ChEMBL_885955 (CHEMBL2215717)	Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis
50040933	1	ChEMBL_885956 (CHEMBL2215718)	Inhibition of uPA
50040934	1	ChEMBL_886155 (CHEMBL2210455)	Binding affinity to Staphylococcus aureus FtsZ expressed in Escherichia coli cells assessed as dissociation constant by fluorescence spectroscopy
50040935	1	ChEMBL_886318 (CHEMBL2212808)	Inhibition of human recombinant LTA4 hydrolase expressed in SF9 cells using LTA4 as substrate assessed as LTB4 production incubated for 10 mins prior to substrate addition measured after 10 to 30 mins by enzyme immunoassay
50040935	2	ChEMBL_886196 (CHEMBL2210904)	Inhibition of dofetilide binding to human ERG by patch clamp assay
50040935	3	ChEMBL_886194 (CHEMBL2210902)	Inhibition of human ERG by patch clamp assay
50040936	1	ChEMBL_886329 (CHEMBL2212819)	Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis
50040937	1	ChEMBL_886349 (CHEMBL2212839)	Inhibition of FLT1
50040937	2	ChEMBL_886351 (CHEMBL2212841)	Inhibition of KDR
50040937	3	ChEMBL_886352 (CHEMBL2212842)	Inhibition of PDGFRB
50040937	4	ChEMBL_886353 (CHEMBL2212843)	Inhibition of c-KIT
50040937	5	ChEMBL_886354 (CHEMBL2212844)	Inhibition of P70S6K
50040937	6	ChEMBL_886355 (CHEMBL2212845)	Inhibition of FLT4
50040937	7	ChEMBL_886356 (CHEMBL2212846)	Inhibition of PDGFRA
50040937	8	ChEMBL_886357 (CHEMBL2212847)	Inhibition of TYK2
50040937	9	ChEMBL_886358 (CHEMBL2212848)	Inhibition of IKKbeta
50040937	10	ChEMBL_886359 (CHEMBL2212849)	Inhibition of FLT3
50040937	11	ChEMBL_886360 (CHEMBL2212850)	Inhibition of MLK1
50040937	12	ChEMBL_886361 (CHEMBL2212851)	Inhibition of JAK1
50040937	13	ChEMBL_886509 (CHEMBL2214784)	Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphorylation
50040937	14	ChEMBL_886510 (CHEMBL2214785)	Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylation
50040937	15	ChEMBL_886511 (CHEMBL2214786)	Inhibition of JAK3
50040937	16	ChEMBL_886512 (CHEMBL2214787)	Inhibition of JAK2
50040938	1	ChEMBL_886533 (CHEMBL2215242)	Binding affinity to quinine reductase 2 using MTT and NMeH as substrates
50040938	2	ChEMBL_886534 (CHEMBL2215243)	Binding affinity to human recombinant quinine reductase 2 expressed in Escherichia coli BL21 (DE3) using menadione and NMeH as substrates
50040939	1	ChEMBL_886539 (CHEMBL2215248)	Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting
50040939	2	ChEMBL_886542 (CHEMBL2215251)	Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting
50040940	1	ChEMBL_886548 (CHEMBL2215257)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation counting
50040940	2	ChEMBL_886550 (CHEMBL2215259)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation counting
50040940	3	ChEMBL_886623 (CHEMBL2216208)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum
50040940	4	ChEMBL_886624 (CHEMBL2216209)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum
50040940	5	ChEMBL_886625 (CHEMBL2216210)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum
50040941	1	ChEMBL_886649 (CHEMBL2216234)	Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting analysis
50040941	2	ChEMBL_886648 (CHEMBL2216233)	Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 hrs by MMTV5 reporter gene assay
50040942	1	ChEMBL_886679 (CHEMBL2216696)	Inhibition of PCP after 1 hr by fluorescence assay
50040942	2	ChEMBL_886676 (CHEMBL2216693)	Inhibition of para-amino phenylmercuric acetate-activated MMP9 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay
50040942	3	ChEMBL_886677 (CHEMBL2216694)	Inhibition of para-amino phenylmercuric acetate-activated MMP2 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay
50040942	4	ChEMBL_886673 (CHEMBL2216690)	Inhibition of PCP in HFF cells assessed as inhibition of collagen deposition after 48 hrs by ELISA
50040942	5	ChEMBL_886675 (CHEMBL2216692)	Inhibition of para-amino phenylmercuric acetate-activated MMP1 using Mca-P-L-G-L-Dap(Dnp)-A-R-NH2 as substrate after 1 hr by fluorescence assay
50040943	1	ChEMBL_886755 (CHEMBL2210069)	Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA
50040944	1	ChEMBL_886760 (CHEMBL2210074)	Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method
50040944	2	ChEMBL_886761 (CHEMBL2210075)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50040945	1	ChEMBL_886791 (CHEMBL2210482)	Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay
50040946	1	ChEMBL_886792 (CHEMBL2210483)	Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 20 mM dithiothreitol
50040946	2	ChEMBL_886795 (CHEMBL2210486)	Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 10 mM dithiothreitol
50040946	3	ChEMBL_886799 (CHEMBL2210490)	Inhibition of VHR using fluorescein 3,6 diphosphate as substrate measured for 1 hr in presence of 1 mM dithiothreitol
50040946	4	ChEMBL_886800 (CHEMBL2210491)	Inhibition of PTP1B using fluorescein 3,6 diphosphate as substrate measured for 1 hr in presence of 1 mM dithiothreitol
50040946	5	ChEMBL_886801 (CHEMBL2210492)	Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiothreitol
50040947	1	ChEMBL_886806 (CHEMBL2210497)	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins by spectrophotometric analysis
50040948	1	ChEMBL_886874 (CHEMBL2211372)	Inhibition of rat FAAH preincubated for 60 mins
50040948	2	ChEMBL_886873 (CHEMBL2211371)	Inhibition of human FAAH preincubated for 60 mins
50040949	1	ChEMBL_886887 (CHEMBL2211385)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH
50040949	2	ChEMBL_886888 (CHEMBL2211386)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins in presence of NADPH
50040949	3	ChEMBL_886899 (CHEMBL2211855)	Antagonist activity at recombinant human 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50040949	4	ChEMBL_886900 (CHEMBL2211856)	Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells
50040950	1	ChEMBL_886921 (CHEMBL2211877)	Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
50040950	2	ChEMBL_886917 (CHEMBL2211873)	Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay
50040950	3	ChEMBL_886914 (CHEMBL2211870)	Agonist activity at S1P5 receptor
50040950	4	ChEMBL_886913 (CHEMBL2211869)	Agonist activity at S1P4 receptor
50040951	1	ChEMBL_886994 (CHEMBL2212889)	Inhibition of DGAT in rat liver microsomes
50040952	1	ChEMBL_887010 (CHEMBL2213350)	Inhibition of LPS-induced iNOS activity in mouse RAW 264.7 cells assessed as inhibition of NO production pretreated with compound for 30 mins before LPS challenge after 24 hrs by Griess reagent method
50040952	2	ChEMBL_887014 (CHEMBL2213354)	Inhibition of human aromatase activity after 30 mins by fluorescence analysis
50001368	3	ChEMBL_1717839 (CHEMBL4132839)	Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of leucovorin by MTT assay
50001368	1	ChEBML_1717839	Inhibition of TS/AICARFTase/GARFTase in human KB cells assessed as reduction in cell proliferation in folate free medium after 72 hrs in presence of leucovorin by MTT assay
50040953	7	ChEMBL_887045 (CHEMBL2213836)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 60 mins by scintillation counting
50001368	2	ChEBML_1717838	Inhibition of recombinant human AICARFTase using AICAR as substrate incubated at 37 degC for 30 mins measured after overnight incubation at 4 degC
50001369	1	ChEBML_1717872	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate measured after 30 mins
50001377	1	ChEMBL_1717889 (CHEMBL4132889)	Binding affinity to human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50001377	2	ChEMBL_1717888 (CHEMBL4132888)	Binding affinity to human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50001371	1	ChEMBL_1717896 (CHEMBL4132896)	Inhibition of human GLUT1 in human KMS11 cells over-expressing human GLUT1 assessed as as inhibition of receptor-mediated cell proliferation after 72 hrs by CellTiter-Glo assay
50001371	2	ChEMBL_1717904 (CHEMBL4132904)	Antagonist activity at human GLUT8 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake preincubated for 5 mins followed by [3H]2-deoxy-D-glucose addition and measured after 6 mins
50001371	3	ChEMBL_1717893 (CHEMBL4132893)	Antagonist activity at rat C-terminal 6His/Myc-tagged GLUT1 assessed as reduction in 2-[3H]deoxyglucose uptake measured after 6 mins
50001371	4	ChEMBL_1717902 (CHEMBL4132902)	Antagonist activity at human GLUT3 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake preincubated for 5 mins followed by [3H]2-deoxy-D-glucose addition and measured after 6 mins
50001371	5	ChEMBL_1717903 (CHEMBL4132903)	Antagonist activity at human GLUT4 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake preincubated for 5 mins followed by [3H]2-deoxy-D-glucose addition and measured after 6 mins
50001371	6	ChEMBL_1717891 (CHEMBL4132891)	Antagonist activity at GLUT4 in rat adipocytes assessed as reduction in insulin-stimulated [3H]2-deoxyglucose uptake preincubated for 1 min followed by [3H]2-deoxyglucose addition measured after 1 min by liquid scintillation counting analysis
50001371	7	ChEMBL_1717892 (CHEMBL4132892)	Antagonist activity at rat C-terminal 6His/Myc-tagged GLUT4 assessed as reduction in 2-[3H]deoxyglucose uptake measured after 6 mins
50001371	8	ChEMBL_1717894 (CHEMBL4132894)	Antagonist activity at GLUT8 (unknown origin) assessed as reduction in 2-[3H]deoxyglucose uptake measured after 6 mins
50001371	9	ChEMBL_1717901 (CHEMBL4132901)	Antagonist activity at human GLUT1 expressed in HEK293 cells transfected with GLUT1 shRNA assessed as inhibition of [3H]2-deoxy-D-glucose uptake preincubated for 5 mins followed by [3H]2-deoxy-D-glucose addition and measured after 6 mins
50001381	1	ChEMBL_1717975 (CHEMBL4132975)	Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction based colorimetric assay
50040954	1	ChEMBL_887225 (CHEMBL2215781)	Inhibition of human ERG
50040954	2	ChEMBL_887238 (CHEMBL2215794)	Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis
50040954	3	ChEMBL_887240 (CHEMBL2215796)	Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay
50040954	4	ChEMBL_887242 (CHEMBL2215798)	Ago-positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells by fluorescence-based calcium flux assay
50040955	1	ChEMBL_887254 (CHEMBL2215810)	Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr
50040955	2	ChEMBL_887257 (CHEMBL2215813)	Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1 cells after 2 hrs by scintillation counting analysis
50040955	3	ChEMBL_887250 (CHEMBL2215806)	Inhibition of human ERG in HEK cells by ion flux electrophysiology assay
50040955	4	ChEMBL_887243 (CHEMBL2215799)	Antagonist activity at histamine H1 receptor
50040955	5	ChEMBL_887246 (CHEMBL2215802)	Antagonist activity at CCR1
50040956	1	ChEMBL_884747 (CHEMBL2215628)	Binding affinity to T7-phage-tagged IKKbeta by PCR analysis
50040956	2	ChEMBL_884748 (CHEMBL2215629)	Binding affinity to T7-phage-tagged JNK2 by PCR analysis
50001381	2	ChEMBL_1717978 (CHEMBL4132978)	Inhibition of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia molybdate reaction based colorimetric assay
50040956	4	ChEMBL_884763 (CHEMBL2215644)	Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting
50040956	5	ChEMBL_884764 (CHEMBL2216094)	Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting
50040956	6	ChEMBL_887261 (CHEMBL2215817)	Binding affinity to T7-phage-tagged RPS6KA1 by PCR analysis
50040956	7	ChEMBL_884733 (CHEMBL2215614)	Binding affinity to T7-phage-tagged CDK7 by PCR analysis
50040956	8	ChEMBL_884735 (CHEMBL2215616)	Binding affinity to T7-phage-tagged RIOK2 by PCR analysis
50040956	9	ChEMBL_884734 (CHEMBL2215615)	Binding affinity to T7-phage-tagged DCAMKL3 by PCR analysis
50040956	10	ChEMBL_884736 (CHEMBL2215617)	Binding affinity to T7-phage-tagged MAPK7 by PCR analysis
50040956	11	ChEMBL_884737 (CHEMBL2215618)	Binding affinity to T7-phage-tagged SgK085 by PCR analysis
50040956	12	ChEMBL_884738 (CHEMBL2215619)	Binding affinity to T7-phage-tagged MAP2K4 by PCR analysis
50040956	13	ChEMBL_884739 (CHEMBL2215620)	Binding affinity to T7-phage-tagged DAPK2 by PCR analysis
50040956	14	ChEMBL_884740 (CHEMBL2215621)	Binding affinity to T7-phage-tagged MAPK15 by PCR analysis
50040956	15	ChEMBL_884741 (CHEMBL2215622)	Binding affinity to T7-phage-tagged DAPK3 by PCR analysis
50040956	16	ChEMBL_884742 (CHEMBL2215623)	Binding affinity to T7-phage-tagged IRAK1 by PCR analysis
50040956	17	ChEMBL_884743 (CHEMBL2215624)	Binding affinity to T7-phage-tagged P38delta by PCR analysis
50040956	18	ChEMBL_884744 (CHEMBL2215625)	Binding affinity to T7-phage-tagged DAPK1 by PCR analysis
50001381	3	ChEMBL_1717958 (CHEMBL4132958)	Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechst 33342 addition measured at 60 secs interval up to 120 mins by fluorescence assay
50040956	20	ChEMBL_884746 (CHEMBL2215627)	Binding affinity to T7-phage-tagged P38gamma by PCR analysis
50040957	1	ChEMBL_885085 (CHEMBL2212269)	Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotometric analysis
50040958	1	ChEMBL_885097 (CHEMBL2212281)	Inhibition of COX1 in BMMC cells assessed as PGD2 generation
50040958	2	ChEMBL_885096 (CHEMBL2212280)	Inhibition of COX2 in BMMC cells assessed as PGD2 generation
50040958	3	ChEMBL_885095 (CHEMBL2212279)	Inhibition of COX2 in lipopolysaccharide-stimulated human MONO-MAC-6 cells
50040959	1	ChEMBL_885118 (CHEMBL2212752)	Inhibition of microsomal PGES1
50040959	2	ChEMBL_885120 (CHEMBL2212754)	Inhibition of microsomal PGES1 using PGH2 as substrate by RP-HPLC method
50040960	1	ChEMBL_885143 (CHEMBL2213234)	Displacement of [3H]-CP55,940 from rat CB1 receptor after 60 mins by microscintillation counting analysis
50040960	2	ChEMBL_885145 (CHEMBL2213236)	Displacement of [3H]-CP55,940 from rat CB2 receptor after 60 mins by microscintillation counting analysis
50040960	3	ChEMBL_885130 (CHEMBL2212764)	Displacement of [3H]-CP55,940 from human CB1 receptor after 60 mins by microscintillation counting analysis
50040960	4	ChEMBL_885131 (CHEMBL2212765)	Displacement of [3H]-CP55,940 from human CB2 receptor after 60 mins by microscintillation counting analysis
50040960	5	ChEMBL_885133 (CHEMBL2212767)	Agonist activity at mouse CB2 receptor after 4 hrs by luciferase reporter gene assay
50040960	6	ChEMBL_885141 (CHEMBL2213232)	Agonist activity at human CB2 receptor after 4 hrs by luciferase reporter gene assay
50040960	7	ChEMBL_885135 (CHEMBL2212769)	Agonist activity at human CB1 receptor after 4 hrs by luciferase reporter gene assay
50040961	1	ChEMBL_885277 (CHEMBL2214705)	Inhibition of BRAF
50040961	2	ChEMBL_885278 (CHEMBL2214706)	Inhibition of PKCtheta
50040961	3	ChEMBL_885279 (CHEMBL2214707)	Inhibition of GSK3beta
50040961	4	ChEMBL_885280 (CHEMBL2214708)	Inhibition of p38alpha
50040961	5	ChEMBL_885281 (CHEMBL2214709)	Inhibition of JNK1
50040961	6	ChEMBL_885282 (CHEMBL2214710)	Inhibition of ERK1
50040961	7	ChEMBL_885283 (CHEMBL2214711)	Inhibition of IKKbeta
50040961	8	ChEMBL_885284 (CHEMBL2214712)	Inhibition of TAK1
50040961	9	ChEMBL_885285 (CHEMBL2214713)	Inhibition of MEKK1
50040961	10	ChEMBL_885286 (CHEMBL2214714)	Inhibition of ASK2
50040961	11	ChEMBL_885288 (CHEMBL2214716)	Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50040962	1	ChEMBL_885317 (CHEMBL2215180)	Inhibition of human PDE3A using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay
50040962	2	ChEMBL_885318 (CHEMBL2215181)	Inhibition of human PDE10A2 using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay
50040962	3	ChEMBL_885313 (CHEMBL2215176)	Inhibition of PDE4D
50040962	4	ChEMBL_885312 (CHEMBL2215175)	Inhibition of PDE2A
50040963	1	ChEMBL_885336 (CHEMBL2215199)	Activation of human glucokinase
50040963	2	ChEMBL_885330 (CHEMBL2215193)	Inhibition of human ERG
50040964	1	ChEMBL_885340 (CHEMBL2215203)	Inhibition of human golgi alpha mannosidase 2
50040964	2	ChEMBL_885341 (CHEMBL2215204)	Inhibition of human ER alpha mannosidase 1
50040965	1	ChEMBL_885494 (CHEMBL2209546)	Inhibition of FAK after 2hrs by fluorescence polarization assay
50040965	2	ChEMBL_885497 (CHEMBL2209549)	Inhibition of PYK2 in mouse NIH-3T3 cells by LI-COR assay
50040965	3	ChEMBL_885500 (CHEMBL2209552)	Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition
50040965	4	ChEMBL_885500 (CHEMBL2209552)	Inhibition of human recombinant C-terminal His-tagged PYK2 using ATP as substrate incubated for 1 hr prior to substrate addition
50040966	1	ChEMBL_885647 (CHEMBL2211781)	Competitive binding affinity to GFP-HA-fused PLK1 polo box domain expressed in HEK293A cells using biotinylated p-T38 peptide as substrate after 1 hr by ELISA
50040967	1	ChEMBL_885678 (CHEMBL2211812)	Inhibition of human recombinant SIRT2 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at 37 degC for 45 mins by fluorescent screening assay
50040967	2	ChEMBL_885679 (CHEMBL2211813)	Inhibition of human recombinant SIRT1 using Arg-His-Lys-Lys(epsilon-acetyl)-AMC at room temperature for 45 mins by fluorescent screening assay
50040968	1	ChEMBL_885704 (CHEMBL2212305)	Agonist activity at PPARgamma-LBD expressed in human L02 cells co-expressing pGL3-SV40-GAL4 after 24 hrs by luciferase reporter gene based transactivation assay
50040969	1	ChEMBL_887349 (CHEMBL2216958)	Binding affinity to human cyclophilin A by fluorescence polarization assay
50040969	2	ChEMBL_887351 (CHEMBL2216960)	Competitive binding affinity to biotinylated human recombinant T cell cyclophilin A expressed in Escherichia coli by spectrophotometric analysis
50040969	3	ChEMBL_887350 (CHEMBL2216959)	Binding affinity to cyclophilin A by surface plasmon resonance analysis
50040970	1	ChEMBL_887357 (CHEMBL2216966)	Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene assay
50040970	2	ChEMBL_887356 (CHEMBL2216965)	Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene assay
50040971	1	ChEMBL_887459 (CHEMBL2217068)	Inhibition of CACT
50040971	2	ChEMBL_887374 (CHEMBL2216983)	Inhibition of CPT1A
50040971	3	ChEMBL_887375 (CHEMBL2216984)	Inhibition of CPT1B
50040971	4	ChEMBL_887531 (CHEMBL2217140)	Inhibition of rat CPT1A expressed in intact Saccharomyces cerevisiae using [methyl-3H]carnitine by radiometric assay
50040971	5	ChEMBL_887532 (CHEMBL2217141)	Inhibition of rat CPT1B expressed in intact Saccharomyces cerevisiae using [methyl-3H]carnitine by radiometric assay
50040971	6	ChEMBL_887417 (CHEMBL2217026)	Inhibition of human CPT2
50040971	7	ChEMBL_887441 (CHEMBL2217050)	Inhibition of rat CPT2
50040971	8	ChEMBL_887462 (CHEMBL2217071)	Inhibition of human CPT1B
50040971	9	ChEMBL_887463 (CHEMBL2217072)	Inhibition of human CPT1A
50040971	10	ChEMBL_887418 (CHEMBL2217027)	Maximal inhibition of rat CPT1A
50040971	11	ChEMBL_887408 (CHEMBL2217017)	Inhibition of CPT2 in 24 hrs fasted rat liver mitochondria assessed as palmitoylcarnitine oxidation by radiometry
50040971	12	ChEMBL_887403 (CHEMBL2217012)	Inhibition of rat CPT1A using [3H]carnitine by radiometric assay
50040971	13	ChEMBL_887402 (CHEMBL2217011)	Inhibition of rat CPT2 using [3H]carnitine by radiometric assay
50040971	14	ChEMBL_887451 (CHEMBL2217060)	Competitive inhibition of CPT2 in liver mitochondria using carnitine
50040971	15	ChEMBL_887453 (CHEMBL2217062)	Competitive inhibition of CPT2 in heart mitochondria using carnitine
50040971	16	ChEMBL_887455 (CHEMBL2217064)	Competitive inhibition of CPT2
50040971	17	ChEMBL_887431 (CHEMBL2217040)	Increase in CPT1 activity in human MCF7 cells assessed as increase in radiolabeled palmitoylcarnitine
50040971	18	ChEMBL_887438 (CHEMBL2217047)	Inhibition of CPT1B in liver mitochondria
50040971	19	ChEMBL_887440 (CHEMBL2217049)	Inhibition of CPT1B in heart mitochondria
50040971	20	ChEMBL_887446 (CHEMBL2217055)	Inhibition of CPT1 in liver mitochondria
50040971	21	ChEMBL_887448 (CHEMBL2217057)	Inhibition of CPT1 in heart mitochondria
50040971	22	ChEMBL_887437 (CHEMBL2217046)	Inhibition of rat CPT2 in rat mitochondria
50040971	23	ChEMBL_887439 (CHEMBL2217048)	Inhibition of rat CPT1 in rat mitochondria
50040971	24	ChEMBL_887442 (CHEMBL2217051)	Inhibition of rat CPT1A
50040971	25	ChEMBL_887443 (CHEMBL2217052)	Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric method
50040971	26	ChEMBL_887444 (CHEMBL2217053)	Inhibition of CPT1 in rat liver mitochondria using [3H]carnitine by radiometric method
50040971	27	ChEMBL_887445 (CHEMBL2217054)	Inhibition of CPT1 in rat cardiac mitochondria using [3H]carnitine by radiometric method
50040971	28	ChEMBL_887447 (CHEMBL2217056)	Inhibition of CPT1A in rat myocardium
50040973	2	ChEMBL_887612 (CHEMBL2217221)	Inhibition of GST-tagged PTP1B using pNPP as substrate by spectrophotometric analysis
50040973	3	ChEMBL_887616 (CHEMBL2217225)	Allosteric activation of human FSH receptor
50040973	4	ChEMBL_887614 (CHEMBL2217223)	Agonist activity at human FSH receptor by cAMP-based assay
50001381	4	ChEMBL_1717962 (CHEMBL4132962)	Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured at 60 secs interval for 60 mins by fluorescence assay
50040973	6	ChEMBL_887601 (CHEMBL2217210)	Inhibition of Mycobacterium tuberculosis protein tyrosine phosphatase B
50040973	7	ChEMBL_887603 (CHEMBL2217212)	Antagonist activity at CCR4
50040974	1	ChEMBL_887649 (CHEMBL2217258)	Inhibition of chicken c-Src
50040974	2	ChEMBL_887648 (CHEMBL2217257)	Inhibition of JNK3
50040974	3	ChEMBL_887647 (CHEMBL2217256)	Inhibition of JNK2
50040974	4	ChEMBL_887646 (CHEMBL2217255)	Inhibition of JNK1
50040974	5	ChEMBL_887645 (CHEMBL2217254)	Inhibition of human AKT1 using biotinylated GSKalpha peptide (SGRARTSSFA) as a substrate after 1 hr
50040974	6	ChEMBL_887644 (CHEMBL2217253)	Inhibition of MEKK1
50040974	7	ChEMBL_887642 (CHEMBL2217251)	Inhibition of MEK7
50040974	8	ChEMBL_887641 (CHEMBL2217250)	Inhibition of MEK1
50040974	9	ChEMBL_887640 (CHEMBL2217249)	Inhibition of Erk2
50040974	10	ChEMBL_887638 (CHEMBL2217247)	Inhibition of Btk in human Ramos cells
50040974	12	ChEMBL_887636 (CHEMBL2217245)	Inhibition of recombinant Btk after 60 mins
50040974	13	ChEMBL_887634 (CHEMBL2217243)	Inhibition of GST-tagged ErbB4 expressed in sf9 cells by ELISA
50040974	14	ChEMBL_887633 (CHEMBL2217242)	Inhibition of GST-tagged ErbB2 expressed in sf9 cells by ELISA
50040974	15	ChEMBL_887632 (CHEMBL2217241)	Inhibition of GST-tagged EGFR expressed in sf9 cells by ELISA
50040974	16	ChEMBL_887631 (CHEMBL2217240)	Inhibition of ErbB4
50040974	17	ChEMBL_887630 (CHEMBL2217239)	Inhibition of ErbB2
50040974	19	ChEMBL_887628 (CHEMBL2217237)	Inhibition of EGFR
50040974	20	ChEMBL_887627 (CHEMBL2217236)	Irreversible inhibition of EGFR
50040974	21	ChEMBL_887626 (CHEMBL2217235)	Inhibition of RSK2 transfected in HEK293 cells
50040974	22	ChEMBL_887625 (CHEMBL2217234)	Inhibition of FGFR4
50040974	23	ChEMBL_887624 (CHEMBL2217233)	Inhibition of FGFR3
50040974	24	ChEMBL_887623 (CHEMBL2217232)	Inhibition of FGFR2
50040974	25	ChEMBL_887622 (CHEMBL2217231)	Inhibition of recombinant FGFR1
50040974	26	ChEMBL_887621 (CHEMBL2217230)	Inhibition of GST-tagged Plk1 using recombinant protein X as a substrate containing threonine residues
50040974	27	ChEMBL_887620 (CHEMBL2217229)	Inhibition of IGF-1R
50040974	28	ChEMBL_887651 (CHEMBL2217260)	Inhibition of chicken c-Src using IYGEFKKK peptide as a substrate and [32P]ATP by fluorescence analysis
50040974	29	ChEMBL_887643 (CHEMBL2217252)	Inhibition of MKK4
50001381	5	ChEMBL_1717972 (CHEMBL4132972)	Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cell growth inhibition after 72 hrs by MTT assay
50040975	11	ChEMBL_887665 (CHEMBL2217274)	Inhibition of PI3Kdelta in presence of 200 uM ATP
50040975	12	ChEMBL_887664 (CHEMBL2217273)	Inhibition of PI3Kalpha in presence of 10 uM ATP
50040975	13	ChEMBL_887663 (CHEMBL2217272)	Inhibition of PI3Kbeta in presence of 10 uM ATP
50040975	14	ChEMBL_887662 (CHEMBL2217271)	Inhibition of PI3Kgamma in presence of 10 uM ATP
50040975	16	ChEMBL_887660 (CHEMBL2217269)	Inhibition of PI3Kalpha using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay
50040975	17	ChEMBL_887659 (CHEMBL2217268)	Inhibition of PI3Kbeta using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay
50040975	18	ChEMBL_887658 (CHEMBL2217267)	Inhibition of PI3Kgamma using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay
50040975	19	ChEMBL_887657 (CHEMBL2217266)	Inhibition of PI3Kdelta using phosphatidylinositol as substrate by gamma33P[ATP] incorporation assay
50040975	20	ChEMBL_887656 (CHEMBL2217265)	Inhibition of PI3Kalpha
50040975	21	ChEMBL_887655 (CHEMBL2217264)	Inhibition of PI3Kbeta
50040975	22	ChEMBL_887654 (CHEMBL2217263)	Inhibition of PI3Kgamma
50040976	2	ChEMBL_887718 (CHEMBL2217327)	Inhibition of human ERG stepped current expressed in HEK293 cells at + 20 mV holding potential by patch clamp assay
50040976	3	ChEMBL_887712 (CHEMBL2217321)	Inhibition of Iks tail current in rabbit ventricular myocytes
50040977	1	ChEMBL_887335 (CHEMBL2216944)	Inhibition of thrombin
50040977	2	ChEMBL_887342 (CHEMBL2216951)	Inhibition of human recombinant VEGFR2 expressed in Sf9 insect cells assessed as inhibition of poly(Glu,Tyr) 4:1 substrate phosphorylation by radiometric assay
50001381	6	ChEMBL_1717963 (CHEMBL4132963)	Inhibition of ABCC1 in human H69AR cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured at 60 secs interval for 60 mins by fluorescence assay
50001381	7	ChEMBL_1717970 (CHEMBL4132970)	Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of SN-38-induced cell growth inhibition after 72 hrs by MTT assay
50018121	3	ChEMBL_2264882	Inhibition of cynomolgus monkey CYP17A1
50018121	4	ChEMBL_2264883	Inhibition of human CYP17A1 lyase activity
50018121	5	ChEMBL_2264884	Inhibition of human CYP17A1 hydroxylase activity
50018121	6	ChEMBL_2264885	Inhibition of cynomolgus monkey CYP17A1 lyase activity
50018121	7	ChEMBL_2264886	Inhibition of cynomolgus monkey CYP17A1 hydroxylase activity
50018121	8	ChEMBL_2264887	Inhibition of human adrenal gland CYP17A1
50018121	9	ChEMBL_2264888	Inhibition of cynomolgus monkey adrenal gland CYP17A1
50018121	10	ChEMBL_2264889	Inhibition of human CYP21A2
50018121	11	ChEMBL_2264891	Inhibition of human CYP11B1
50018121	12	ChEMBL_2264902	Inhibition of PXR (unknown origin)
50018121	13	ChEMBL_2264903	Inhibition of recombinant human CYP1A2
50018121	14	ChEMBL_2264904	Inhibition of recombinant human CYP2C19
50018121	15	ChEMBL_2264905	Inhibition of recombinant human CYP2C9
50018121	16	ChEMBL_2264906	Inhibition of recombinant human CYP2D6
50018121	17	ChEMBL_2264907	Inhibition of recombinant human CYP3A4
50018121	18	ChEMBL_2264908	Inhibition of recombinant human CYP2C8
50018121	19	ChEMBL_2264909	Inhibition of recombinant human CYP2B6
50018122	1	ChEMBL_2264927	Inhibition of GLS1 (unknown origin)
50018125	1	ChEMBL_2264937	Binding affinity to RIPK2 (unknown origin) assessed as dissociation constant by kinomescan assay
50018125	2	ChEMBL_2264955	Inhibition of hERG
50001382	1	ChEMBL_1718003 (CHEMBL4133003)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by UV spectrophotometric analysis
50018125	3	ChEMBL_2264958	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant by kinomescan assay
50018125	4	ChEMBL_2264959	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant by kinomescan assay
50018126	1	ChEMBL_2265029	Inhibition of EGFR d746-750/T790M/C797S triple mutant (unknown origin)
50018126	2	ChEMBL_2265030	Inhibition of EGFR d746-750/T790M double mutant (unknown origin)
50001383	1	ChEMBL_1718015 (CHEMBL4133015)	Inhibition of recombinant human 15-LOX-1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated for 10 mins followed by substrate addition
50018126	3	ChEMBL_2265031	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50018127	1	ChEMBL_2265033	Binding affinity to Escherichia coli IPP isomerase assessed as inhibition constant
50018127	2	ChEMBL_2265034	Inhibition of Escherichia coli IPP isomerase
50018127	3	ChEMBL_2265035	Competitive inhibition of Escherichia coli IPP isomerase assessed as inhibition constant by Lineweaver-burk plot analysis
50018128	1	ChEMBL_2265037	Inhibition of AChE (unknown origin) by Ellman's method
50018128	2	ChEMBL_2265038	Inhibition of BChE (unknown origin) by Ellman's method
50018129	1	ChEMBL_2265085	Inhibition of PKA (unknown origin)
50040981	1	ChEMBL_209756 (CHEMBL815547)	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced contraction of rat isolated thoracic aortic strip
50040981	2	ChEMBL_209607 (CHEMBL816693)	In vitro thromboxane A2 receptor antagonism through inhibition of U-46619-induced platelet aggregation in human whole blood.
50001389	1	ChEMBL_1718148 (CHEMBL4133148)	Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 mins by flow cytometric analysis
50001389	2	ChEMBL_1718149 (CHEMBL4133149)	Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced current at holding potential of -60 mV preincubated for 5 mins followed by ATP addition measured after 5 mins by Whole cell patch-clamp analysis
50001389	3	ChEMBL_1718151 (CHEMBL4133151)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10 mins followed by ATP addition measured after 20 mins by spectrofluorometric analysis
50001389	4	ChEMBL_1718140 (CHEMBL4133140)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in agonist-induced intracellular Ca2+ levels preincubated for 3 mins followed by agonist addition measured up to 2 mins by Fluo-4 dye-based FLIPR assay
50001389	5	ChEMBL_1718152 (CHEMBL4133152)	Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced ethidium iodide uptake after 30 mins by spectrofluorometric analysis
50001389	6	ChEMBL_1718144 (CHEMBL4133144)	Antagonist activity at human P2X7 receptor expressed in human THP1 cells assessed as reduction in BzATP-induced IL-1beta levels preincubated for 30 mins followed by BzATP addition measured after 30 mins by ELISA
50001389	7	ChEMBL_1718153 (CHEMBL4133153)	Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced current at holding potential of -60 mV preincubated for 5 mins followed by BzATP addition measured after 5 mins by Whole cell patch-clamp analysis
50001389	8	ChEMBL_1718155 (CHEMBL4133155)	Antagonist activity at P2X7 receptor in LPS/IFNc-differentiated Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced IL-1beta release preincubated for 30 mins followed by LPS stimulation for 4 hrs using cells treated with ATP for 15 mins by ELISA
50001389	9	ChEMBL_1718142 (CHEMBL4133142)	Antagonist activity at mouse P2X7 receptor expressed in human 1321N1 cells assessed as reduction in agonist-induced intracellular Ca2+ levels preincubated for 3 mins followed by agonist addition measured up to 2 mins by Fluo-4 dye-based FLIPR assay
50040983	1	ChEMBL_80637 (CHEMBL692515)	Compound was tested for inhibitory activity against rat hepatic microsomal HMG-CoA reductase; lacked significant inhibitory activity
50040984	1	ChEMBL_3881 (CHEMBL619396)	In vitro inhibition of 5-lipoxygenase HETE (5-hydroperoxyeicosatetraenoic acid) in RBL-1 macrophage, a cell-free enzyme assay
50040984	2	ChEMBL_3880 (CHEMBL619395)	In vitro inhibition of 5-lipoxygenase HETE (5-hydroperoxyeicosatetraenoic acid) in RBL-1 macrophage, a cell-free enzyme assay
50001389	10	ChEMBL_1718156 (CHEMBL4133156)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced IL-1beta release preincubated for 30 mins followed by ATP addition measured after 30 mins by ELISA
50040986	1	ChEMBL_196431 (CHEMBL800434)	Compound was evaluated for inhibitory activity against renin
50040987	1	ChEBML_90019	Ability to inhibit blood platelet aggregation of human platelet-rich plasma induced by TP-receptor agonist U 46619
50001389	11	ChEMBL_1718154 (CHEMBL4133154)	Antagonist activity at P2X7 receptor in LPS/IFNc-differentiated human THP-1 cells assessed as inhibition of ATP-induced IL-1beta release preincubated for 30 mins followed by LPS stimulation for 4 hrs using cells treated with ATP for 30 mins by ELISA
50001389	12	ChEMBL_1718143 (CHEMBL4133143)	Antagonist activity at human P2X7 receptor expressed in human THP1 cells assessed as reduction in BzATP-induced pore formation by measuring YO-PRO uptake by FLIPR assay
50001389	13	ChEMBL_1718141 (CHEMBL4133141)	Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assessed as reduction in agonist-induced intracellular Ca2+ levels preincubated for 3 mins followed by agonist addition measured up to 2 mins by Fluo-4 dye-based FLIPR assay
50040988	1	ChEBML_3321	Tested for its agonist potency against the 5-hydroxytryptamine 4 receptor located in the rat esophageal tunica muscularis mucosae
50040989	1	ChEMBL_205804 (CHEMBL857232)	The compound was evaluated in vitro for the antagonistic activity against substance P receptor in guinea pig myenteric plexus longitudinal muscle strips.
50040989	2	ChEMBL_205550 (CHEMBL810504)	The compound was evaluated in vitro for the antagonistic activity against Tachykinin receptor 1 in guinea pig myenteric plexus longitudinal muscle strips.
50040990	1	ChEBML_204899	In vitro inhibitory concentration required to inhibit Steroid 5-alpha-reductase type 1 in cultured Hs 68 human foreskin fibroblast cells
50029161	3	ChEBML_159632	Inhibitory concentration required to inhibit HIV-1 protease was determined
50001373	1	ChEMBL_1718215 (CHEMBL4133215)	Displacement of bis-ANS to recombinant human MD2 after 5 mins by fluorescence assay
50001373	2	ChEMBL_1718219 (CHEMBL4133219)	Binding affinity to MD2 (unknown origin) by SPR assay
50040993	1	ChEMBL_34673 (CHEMBL645254)	pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings
50001378	1	ChEMBL_1718275 (CHEMBL4133275)	Inhibition of recombinant full length human N-terminal GST-tagged MNK2 expressed in baculovirus expression system using N-terminal TAMRA-labeled eIF4E (202 to 214 residues) as substrate by IMAP TR-FRET assay
50001378	2	ChEMBL_1718273 (CHEMBL4133273)	Inhibition of recombinant human FLT3 using EAIYAAPFAKKK as substrate by ATP-Glo assay
50001378	3	ChEMBL_1718274 (CHEMBL4133274)	Inhibition of recombinant full length human N-terminal GST-tagged MNK1 expressed in insect cells using N-terminal TAMRA-labeled eIF4E (202 to 214 residues) as substrate by IMAP TR-FRET assay
50040996	1	ChEMBL_35584 (CHEMBL648282)	Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)
50040996	2	ChEMBL_144627 (CHEMBL883549)	Tested in vitro for inhibition of neutral endopeptidase (NEP)
50040999	1	ChEMBL_144628 (CHEMBL752986)	In vitro inhibitory activity against neutral endopeptidase (NEP) was determined
50040999	2	ChEMBL_35585 (CHEMBL648283)	In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined
50041000	1	ChEMBL_207949 (CHEMBL811065)	Inhibitory activity against thrombin was measured by its ability to cleave the synthetic substrate S-2238(D-Phe-Pip-Arg-pNA)
50018132	1	ChEMBL_2265086	Inhibition of Wee1 (unknown origin) incubated for 60 mins by LanthaScreen Eu-Kinase binding assay
50041002	1	ChEBML_54082	Inhibitory activity against dihydrodipicolinic acid synthase
50041002	2	ChEMBL_54082 (CHEMBL880693)	Inhibitory activity against dihydrodipicolinic acid synthase
50041004	1	ChEBML_66423	Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12); Value ranges from 190-900 nM
50041004	2	ChEMBL_66423 (CHEMBL677280)	Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12); Value ranges from 190-900 nM
50041005	1	ChEBML_157883	Inhibitory activity against HIV-1 protease
50034778	4	ChEMBL_64952 (CHEMBL857525)	Inhibition of Escherichia coli EPSP synthase
50029388	2	ChEMBL_195758 (CHEMBL803425)	Compound was tested for its inhibitory activity against human plasma renin
50029388	3	ChEMBL_196298 (CHEMBL806651)	Compound was tested for its inhibitory activity against Rat plasma renin
50018133	1	ChEMBL_2265099	Inhibition of ALK6 (unknown origin)
50029437	2	ChEMBL_88003 (CHEMBL697605)	Inhibitory activity against interleukin-1 (IL-1) synthesis, using intact human monocytes
50001360	1	ChEMBL_1718356 (CHEMBL4133356)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by UV-Vis spectrophotometric analysis
50001360	2	ChEMBL_1718355 (CHEMBL4133355)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by UV-Vis spectrophotometric analysis
50001360	3	ChEMBL_1718383 (CHEMBL4133383)	Inhibition of AChE in human erythrocytes acetylthiocholine iodide as substrate by Ellman's spectrophotometry
50029479	1	ChEBML_209594	Binding affinity of Thromboxane A2 (TXA2) receptor using [3H]-SQ 29,548 radioligand in washed human platelets
50018133	2	ChEMBL_2265100	Inhibition of ALK3 (unknown origin)
50001380	1	ChEMBL_1718417 (CHEMBL4133417)	Inhibition of mushroom tyrosinase diphenolase activity assessed as decrease in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured for 1 min
50041011	1	ChEBML_66277	Inhibitory activity of compound against FK506 binding protein 12 was determined
50041012	1	ChEBML_1629	Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra
50041012	2	ChEBML_1011	Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells
50018133	3	ChEMBL_2265101	Inhibition of ALK4 (unknown origin)
50018133	4	ChEMBL_2265102	Inhibition of ALK2 (unknown origin)
50018133	5	ChEMBL_2265105	Inhibition of ALK1 (unknown origin)
50018133	6	ChEMBL_2265106	Inhibition of human ALK5 autophosphorylation
50018136	1	ChEMBL_2265165	Inhibition of CYP1A2 (unknown origin)
50018136	2	ChEMBL_2265166	Inhibition of CYP2D6 (unknown origin)
50018136	3	ChEMBL_2265167	Inhibition of CYP2C19 (unknown origin)
50018136	4	ChEMBL_2265168	Inhibition of CYP2C9 (unknown origin)
50018136	5	ChEMBL_2265169	Inhibition of CYP3A4 (unknown origin)
50018136	6	ChEMBL_2265175	Inhibition of human ERG
50018137	1	ChEMBL_2265211	Antagonist activity at human P2Y6R expressed in human 1321N1 cells assessed as inhibition of UDP-induced calcium mobilization by FLIPR assay
50001379	1	ChEMBL_1718453 (CHEMBL4133453)	Inhibition of bovine liver beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate preincubated for 30 mins followed by substrate addition by spectrophotometric analysis
50041017	1	ChEBML_83828	In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosomes of rat cerebral cortex
50001386	1	ChEMBL_1718522 (CHEMBL4133522)	Inhibition of bovine pancreas carboxypeptidase A using N-4-(methoxyphenylazoformyl)-Phe-OH as substrate measured after 5 mins by colorimetric method
50001386	2	ChEMBL_1718525 (CHEMBL4133525)	Inhibition of thrombin (unknown origin) using N-benzoyl-Phe-Val-Arg-p-nitroanilide hydrochloride as substrate pretreated for 5 mins followed by substrate addition measured after 30 mins by colorimetric method
50001390	1	ChEMBL_1718556 (CHEMBL4133556)	Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (DE) using [14C]androstenedione as substrate in presence of NADPH generating system
50001390	2	ChEMBL_1718557 (CHEMBL4133557)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA
50001390	3	ChEMBL_1718560 (CHEMBL4133560)	Inhibition of AKR1C2 (unknown origin) using S-tetralol as substrate by by fluorimtery
50029796	2	ChEBML_90227	In vitro inhibition of thrombin-induced human gel-filtered platelet aggregation.
50034860	3	ChEBML_64947	Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.
50034860	4	ChEMBL_65096 (CHEMBL670573)	Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.
50001390	4	ChEMBL_1718559 (CHEMBL4133559)	Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimtery
50001390	5	ChEMBL_1718558 (CHEMBL4133558)	Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA
50001393	1	ChEMBL_1718603 (CHEMBL4133603)	Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 3 mins followed by substrate addition measured immediately
50001393	2	ChEMBL_1718604 (CHEMBL4133604)	Inhibition of human COX2 expressed in insect cells using arachidonic acid as substrate pretreated for 3 mins followed by substrate addition measured immediately
50029899	2	ChEBML_205191	Apparent inhibitory activity against human Steroid 5-alpha-reductase type I expressed in CHO cells
50029899	3	ChEBML_205049	Apparent inhibitory activity against human Steroid 5-alpha-reductase type 2 expressed in CHO cells
50041020	1	ChEBML_193173	Ability to release growth hormone in a rat pituitary cell assay
50001394	1	ChEMBL_1718625 (CHEMBL4133625)	Inhibition of PH domain lacking AKT1 (unknown origin) using Tamara-labeled GRPRTSSFAEG peptide as substrate after 90 mins by fluorescence polarization IMAP assay
50001396	1	ChEMBL_1718675 (CHEMBL4133675)	Inhibition of AChE (unknown origin)
50008092	4	ChEBML_219023	Concentration required to inhibit mGluR4a receptor
50008092	1	ChEBML_218857	Inhibitory activity against mGluR1 receptor
50008092	2	ChEBML_219003	Concentration required to inhibit mGluR2 receptor
50001403	1	ChEMBL_1718760 (CHEMBL4133760)	Inhibition of PDGFRbeta (unknown origin) using ATP and enzyme substrate by kinase-glo Plus luminescence kinase assay
50001404	1	ChEMBL_1718865 (CHEMBL4133865)	Inhibition of human HDAC2 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc
50001404	2	ChEMBL_1718866 (CHEMBL4133866)	Inhibition of human HDAC3/NCOR2 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc
50001404	3	ChEMBL_1718864 (CHEMBL4133864)	Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc
50018137	2	ChEMBL_2265212	Antagonist activity at human P2Y6R expressed in human 1321N1 cells assessed as inhibition of UDP-induced calcium mobilization incubated for 5 mins followed by agonist stimulation by FLIPR assay
50018137	3	ChEMBL_2265218	Antagonist activity at mouse P2Y6R expressed in human 1321N1 cells assessed as inhibition of UDP-induced calcium mobilization by FLIPR assay
50001417	1	ChEMBL_1719003 (CHEMBL4134003)	Displacement of fluorescent estrogen ligand from recombinant human ERalpha expressed in insect cells incubated for 2 hrs by polarization
50001387	1	ChEMBL_1719030 (CHEMBL4134030)	Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring increase in CD3 positive cells incubated for 3 days followed by 11 days incubation post compound wash out with subsequent stimulation with IL-2 every 3 days measured after 14 days by flow cytometry
50001387	2	ChEMBL_1719033 (CHEMBL4134033)	Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interferon gamma production in response to K562 cells preincubated for 4 hrs with K562 cells followed by 11 days incubation post compound wash out with subsequent coculturing with Vgamma9Vdelta2 T cells for 20 hrs by ELISA
50001388	1	ChEMBL_1719035 (CHEMBL4134035)	Negative allosteric modulation of rat mGlu3 receptor expressed in TREX cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured for 2.6 mins by Fluo-4 AM dye based fluorescence assay
50001388	2	ChEMBL_1719037 (CHEMBL4134037)	Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as increase in glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured for 1.9 mins by Fluo-4 AM dye based fluorescence assay
50001388	3	ChEMBL_1719043 (CHEMBL4134043)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50009127	1	ChEBML_4308	Measuring the affinity of leukotriene synthesis inhibitor for 5-Lipoxygenase activating protein (FLAP) by using [125I]L-691831 as radioligand.
50009236	3	ChEBML_53274	In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.
50041029	1	ChEBML_838240	TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.5 uM) in membrane vesicles from HL60/ADR cells
50001388	4	ChEMBL_1719039 (CHEMBL4134039)	Negative allosteric modulation of rat mGlu2 receptor expressed in HEK293 cells coexpressing Galpha15 assessed as inhibition of glutamate induced-calcium mobilization preincubated for 2.3 mins followed by glutamate addition measured for 1.9 mins by Fluo-4 AM dye based fluorescence assay
50008599	2	ChEBML_43065	Inhibitory activity against cytomegalovirus protease (CMV)
50008599	3	ChEBML_82452	Inhibitory activity against herpes simplex virus protease (HSV-2)
50008668	5	ChEBML_143826	Binding affinity against Neuropeptide Y receptor type 1 using [125I]PYY
50008737	5	ChEBML_71258	In vitro antagonistic activity against human glucocorticoid receptor (hGR)
50001388	5	ChEMBL_1719041 (CHEMBL4134041)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50001388	6	ChEMBL_1719042 (CHEMBL4134042)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50001388	7	ChEMBL_1719044 (CHEMBL4134044)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50041030	1	ChEBML_33196	Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.
50041030	2	ChEBML_33659	Binding affinity at human Alpha-2C adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.
50041030	4	ChEBML_33866	Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]prazosin (0.25 nM) displacement.
50001375	1	ChEMBL_1719139 (CHEMBL4134139)	Inhibition of PI3Kdelta in human whole blood assessed as suppression of CD69 expression
50001375	2	ChEMBL_1719135 (CHEMBL4134135)	Binding affinity to PI3Kdelta (unknown origin)
50009848	1	ChEBML_80079	Binding affinity towards HIV glycoprotein gp120
50001385	1	ChEMBL_1719140 (CHEMBL4134140)	Agonist activity at human GPR120 short splice variant expressed in HEK293 cells assessed as increase in intracellular calcium flux incubated for 30 mins measured for 300 secs at 1 sec interval by Fluo-4 NW dye based FLIPR assay
50001385	2	ChEMBL_1719141 (CHEMBL4134141)	Agonist activity at PK-tagged human GPR120 long isoform expressed in CHOK1 cells co-expressing EA-tagged beta-arrestin assessed as beta-gal enzyme complex formation after 90 mins by enzyme fragment complementation assay
50001385	3	ChEMBL_1719146 (CHEMBL4134146)	Agonist activity at human GPR40 by calcium flux assay
50001385	4	ChEMBL_1719156 (CHEMBL4134156)	Inhibition of human ERG
50041032	2	ChEBML_3724	Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand
50041032	3	ChEMBL_3724 (CHEMBL619896)	Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand
50041032	4	ChEBML_3771	Binding affinity towards 5-hydroxytryptamine 7 receptor
50001385	5	ChEMBL_1719145 (CHEMBL4134145)	Agonist activity at mouse GPR120 by calcium flux assay
50001392	1	ChEMBL_1719182 (CHEMBL4134182)	Inhibition of HBV C150-Bodipy FL N-(2-aminoethyl) maleimide labeled capsid assessed as reduction in NaCl-induced capsid assembly preincubated for 15 mins followed by NaCl addition measured after 1 hr by fluorescence quenching assay
50001397	1	ChEMBL_1719211 (CHEMBL4134211)	Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins by Alexa Fluor647-labelled ADP tracer based TR-FRET assay
50001397	2	ChEMBL_1719212 (CHEMBL4134212)	Inhibition of recombinant human myristoylated PI3Kalpha catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47 residue after 1 hr by alpha screen Surefire assay
50001397	12	ChEMBL_1719224 (CHEMBL4134224)	Inhibition of PI3Kdelta in anti-CD3 stimulated human PBMC assessed as reduction in cell proliferation by measuring [3H]thymidine incorporation pretreated for 1 hr followed by anti-CD3 addition measured last 16 hrs of 56 hrs incubation by beta counting method
50001397	31	ChEMBL_1719209 (CHEMBL4134209)	Inhibition of recombinant PI3Kbeta (unknown origin) using phosphatidyl inositol/n-Octyl-glucoside as substrate measured after 60 mins by KinaseGlo assay
50001397	5	ChEMBL_1719210 (CHEMBL4134210)	Inhibition of PI3Kgamma (unknown origin) using phosphatidyl inositol as substrate measured after 30 mins by Alexa Fluor647-labelled ADP tracer based TR-FRET assay
50001397	6	ChEMBL_1719213 (CHEMBL4134213)	Inhibition of recombinant human myristoylated PI3Kbeta catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47 residue after 1 hr by alpha screen Surefire assay
50001397	7	ChEMBL_1719214 (CHEMBL4134214)	Inhibition of recombinant human myristoylated PI3Kdelta catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47 residue after 1 hr by alpha screen Surefire assay
50001397	8	ChEMBL_1719215 (CHEMBL4134215)	Inhibition of PI3Kdelta in Balb/c mouse splenocytes assessed as reduction in anti-IgM stimulated CD86 expression pretreated for 1 hr followed by anti-IgM stimulation after 24 hrs by flow cytometric analysis
50001397	10	ChEBML_1719206	Inhibition of Vps34 (unknown origin) using phosphatidyl inositol/n-Octyl-glucoside as substrate measured after 30 mins by KinaseGlo assay
50001397	3	ChEBML_1719212	Inhibition of recombinant human myristoylated PI3Kalpha catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47 residue after 1 hr by alpha screen Surefire assay
50001397	4	ChEBML_1719213	Inhibition of recombinant human myristoylated PI3Kbeta catalytic domain expressed in Rat1 cells assessed as reduction in Akt phosphorylation at Ser47 residue after 1 hr by alpha screen Surefire assay
50001397	32	ChEMBL_1719208 (CHEMBL4134208)	Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol/n-Octyl-glucoside as substrate measured after 30 mins by KinaseGlo assay
50001397	13	ChEMBL_1719230 (CHEMBL4134230)	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated mouse CD4-positive T cells assessed as reduction in T cell differentiation to Th17 cells by measuring IL-17A level after 72 hrs by ELISA
50001397	16	ChEMBL_1719228 (CHEMBL4134228)	Inhibition of PI3Kdelta in mouse spleen cells assessed as reduction in cell proliferation by measuring [3H]thymidine incorporation by beta counting based mixed lymphocyte reaction assay
50001397	14	ChEBML_1719233	Inhibition of recombinant mTOR (unknown origin) using 4EBP1 as substrate by TR-FRET assay
50001397	15	ChEBML_1719237	Inhibition of 5-HT2B (unknown origin) by calcium flux assay
50001397	27	ChEMBL_1719232 (CHEMBL4134232)	Inhibition of PI4Kbeta (unknown origin) using phosphatidyl inositol/n-Octyl-glucoside as substrate measured after 30 mins by KinaseGlo assay
50010167	3	ChEBML_205056	In vitro inhibitory activity against Steroid 5-alpha-reductase type I
50001397	28	ChEMBL_1719234 (CHEMBL4134234)	Inhibition of DNA-PK (unknown origin) using peptide substrate assessed as reduction in incorporation of radioactive 33p into substrate by liquid scintillation counting method
50001397	18	ChEMBL_1719220 (CHEMBL4134220)	Inhibition of PI3Kdelta in 90% human whole blood assessed as reduction in anti-IgM/IL4 stimulated CD69 expression pretreated for 1 hr followed by anti-IgM/IL4 stimulation after 24 hrs by flow cytometric analysis
50001397	29	ChEMBL_1719236 (CHEMBL4134236)	Inhibition of recombinant human PDE4D
50041034	1	ChEBML_102333	Inhibition of HIV-induced cytopathogenicity in MT-4 cell
50001397	26	ChEMBL_1719219 (CHEMBL4134219)	Inhibition of PI3Kdelta in 90% human whole blood assessed as reduction in anti-IgM/IL4 stimulated CD86 expression pretreated for 1 hr followed by anti-IgM/IL4 stimulation after 24 hrs by flow cytometric analysis
50001397	25	ChEMBL_1719205 (CHEMBL4134205)	Inhibition of PI3Kgamma in C57/Bl6 mouse BMMC assessed as reduction in adenosine stimulated ATK phosphorylation at ser473 residue pretreated for 30 mins followed by adenosine addition measured after 3 minutes
50041036	1	ChEBML_2091	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1F receptor in CHO cells using [3H]-5-HT as the radioligand
50041036	2	ChEBML_62591	Compound was evaluated for binding affinity against Dopamine receptor D3 in CHO cells using [125I]iodosulpiride as the radioligand
50041036	3	ChEBML_2061	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1E receptor in CHO cells using [3H]5-HT as the radioligand
50041036	4	ChEBML_3647	Binding affinity against human 5-hydroxytryptamine 6 receptor
50041036	5	ChEMBL_3720 (CHEMBL619892)	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand (n=3)
50041036	6	ChEBML_32301	Compound was evaluated for binding affinity against Alpha-1B adrenergic receptor
50041036	7	ChEBML_1757	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1D receptor in CHO cells using [3H]5-HT as the radioligand
50041036	8	ChEBML_2763	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 2C receptor in HEK 293 cells using [3H]mesulergine as the radioligand
50041036	9	ChEBML_3306	Compound was evaluated for the binding affinity against human cloned 5-hydroxytryptamine 4 receptor in HeLa cells using [3H]-LSD as the radioligand
50041036	10	ChEBML_2888	Compound was evaluated for binding affinity against human cloned 5-HT2B receptor in HEK 293 cells using [3H]5-HT as the radioligand
50041036	11	ChEBML_1032	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1A receptor in HEK 293 cells using [3H]8-OH-DPAT as the radioligand
50041036	12	ChEBML_1382	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-HT as the radioligand
50041036	13	ChEMBL_3721 (CHEMBL619893)	Displacement of [3H]-5-CT from human 5-hydroxytryptamine 7 receptor expressed in HEK-293 cells
50041036	14	ChEBML_2535	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 2A receptor in HEK 293 cells using [3H]ketanserin as the radioligand
50041036	15	ChEBML_60535	Compound was evaluated for binding affinity against Dopamine receptor D2 in CHO cells using [125I]iodosulpiride as the radioligand
50041036	16	ChEBML_3722	Compound was evaluated for binding affinity against human cloned 5-hydroxytryptamine 7 receptor in HEK 293 cells using [3H]5-CT as the radioligand(n=6)
50010903	12	ChEBML_194950	Inhibition of rat Receptor protein-tyrosine kinase erbB2
50001397	19	ChEMBL_1719225 (CHEMBL4134225)	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated human PBMC derived CD4-positive T cells assessed as reduction in T cell differentiation to Th2 cells by measuring IL-13 level after 72 hrs by ELISA
50001397	33	ChEMBL_1719229 (CHEMBL4134229)	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated mouse CD4-positive T cells assessed as reduction in T cell differentiation to Th2 cells by measuring IL-13 level after 72 hrs by ELISA
50001397	24	ChEMBL_1719227 (CHEMBL4134227)	Inhibition of PI3Kdelta in anti-CD3/CD28 stimulated human PBMC derived CD4-positive T cells assessed as reduction in cell proliferation by measuring [3H]thymidine incorporation by beta counting method
50041037	1	ChEBML_72765	Inhibition of [3H]glycine uptake using CHO cells transfected with GlyT-1b transporter
50041038	1	ChEBML_155105	Inhibition of beta-hematin formation in Plasmodium falciparum
50001397	11	ChEMBL_1719218 (CHEMBL4134218)	Inhibition of PI3Kdelta in human B cells assessed as reduction in anti-IgM-induced AKT phosphorylation at ser473 residue pretreated for 1.5 hrs followed by anti-IgM stimulation after 20 mins by flow cytometric analysis
50001397	30	ChEMBL_1719235 (CHEMBL4134235)	Inhibition of p53 in human HCT116 cells assessed as reduction in nutlin-induced p53 transcriptional response by FRET assay
50001397	9	ChEMBL_1719223 (CHEMBL4134223)	Inhibition of PI3Kdelta in human PBMC assessed as reduction in cell proliferation by measuring [3H]thymidine incorporation measured last 16 hrs of 4 days incubation by beta counting based mixed lymphocyte reaction assay
50001391	1	ChEMBL_1719307 (CHEMBL4134307)	Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT based fluorescence assay
50001391	2	ChEMBL_1719329 (CHEMBL4134329)	Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL17 induced chemotaxis
50001391	3	ChEMBL_1719326 (CHEMBL4134326)	Antagonist activity at human CCR4 expressed in CHO cells coexpressing CD4+ assessed as inhibition of CCL22 induced Ca2+ mobilization
50001391	4	ChEMBL_1719304 (CHEMBL4134304)	Antagonist activity at mouse CCR4
50011169	3	ChEBML_41908	Inhibition of [125I]MCP-1 binding to the cloned C-C chemokine receptor type 2B expressed in CHO cells
50001391	5	ChEMBL_1719315 (CHEMBL4134315)	Antagonist activity at CCR4 in human primary Th2 cells by chemotaxis assay
50035153	9	ChEBML_34270	Inhibitory activity towards Alpha-glucosidase from Aspergillus niger (amyloglucosidase)
50035153	23	ChEBML_34392	Inhibitory activity towards Alpha-glucosidase from Rhizopus mold (amyloglucosidase)
50035163	1	ChEBML_86463	Agonist activity evaluated as change in the level of cytosolic calcium in 1321N astrocytoma cells infected with a retrovirus encoding the human P2Y6 receptor
50035163	2	ChEBML_86461	Agonist activity evaluated as change in the level of cytosolic calcium in 1321N astrocytoma cells infected with a retrovirus encoding the human P2Y4 receptor
50035163	3	ChEBML_86459	Agonist activity evaluated as change in the level of cytosolic calcium in 1321N astrocytoma cells infected with a retrovirus encoding the human P2Y2 receptor
50041039	1	ChEBML_209980	Tested for inhibitory activity against thymidylate synthase of L1210 cells
50011474	3	ChEBML_195690	The compound was evaluated for inhibition of HIV-1 mutant GluL38-Lys recombinant reverse transcriptase
50041040	1	ChEBML_1825	Compound was tested for binding affinity against 5-hydroxytryptamine 1B receptor
50041040	2	ChEBML_1980	Compound was tested for binding affinity against 5-hydroxytryptamine 1D receptor
50041040	3	ChEBML_2860	Compound was tested for binding affinity against 5-hydroxytryptamine 2C receptor
50041040	4	ChEBML_3365	Compound was tested for agonistic activity against 5-hydroxytryptamine 4 receptor on guinea colon at a concentration 0.1 uM
50041040	5	ChEBML_1536	Compound was tested for binding affinity against 5-hydroxytryptamine 1A receptor
50001391	6	ChEMBL_1719328 (CHEMBL4134328)	Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL22 induced chemotaxis
50001391	7	ChEMBL_1719317 (CHEMBL4134317)	Antagonist activity at dog CCR4
50001391	8	ChEMBL_1719327 (CHEMBL4134327)	Antagonist activity at human CCR4 expressed in HEK cells coexpressing CD4+ assessed as inhibition of CCL22 induced Ca2+ mobilization
50010717	2	ChEBML_209014	Binding affinity for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand
50001401	1	ChEBML_1719393	Inhibition of DHCR24-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate incorporation into newly synthesized cholesterol after 24 hrs GC/MS analysis
50010722	2	ChEBML_221656	Inhibition of p60 c-Src tyrosine kinase at 830 ng/mL
50001401	2	ChEMBL_1719393 (CHEMBL4134393)	Inhibition of DHCR24-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate incorporation into newly synthesized cholesterol after 24 hrs GC/MS analysis
50001405	1	ChEMBL_1719626 (CHEMBL4134626)	Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciprocal Lineweaver-Burk plot analysis
50001405	2	ChEMBL_1719625 (CHEMBL4134625)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method
50001398	1	ChEMBL_1719630 (CHEMBL4134630)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate pretreated for 10 mins followed by substrate addition measured every 2 mins for 6 mins
50001402	1	ChEMBL_1719642 (CHEMBL4134642)	Inhibition of neuraminidase activity in Influenza A virus (A/PR/8/34 (H1N1)) infected in MDCK cells using 4-MU-NANA as substrate pretreated for 30 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50001407	1	ChEMBL_1719685 (CHEMBL4134685)	Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mins by fluorescence based assay
50001407	2	ChEMBL_1719680 (CHEMBL4134680)	Inhibition of recombinant LSD1 (157 to 852 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate by amplex red and horseradish peroxidase based fluorescence assay
50011987	3	ChEBML_90053	Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay
50001407	3	ChEMBL_1719681 (CHEMBL4134681)	Inhibition of MAOA (unknown origin) using beetle luciferin as substrate by MAO-Glo assay
50001407	4	ChEMBL_1719686 (CHEMBL4134686)	Inhibition of C-terminal His-tagged human HDAC5 (656-1122 residues) expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mins by fluorescence based assay
50001407	5	ChEMBL_1719682 (CHEMBL4134682)	Inhibition of MAOB (unknown origin) using beetle luciferin as substrate by MAO-Glo assay
50001407	6	ChEMBL_1719684 (CHEMBL4134684)	Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mins by fluorescence based assay
50001408	1	ChEMBL_1719734 (CHEMBL4134734)	Inhibition of NADPH-reduced rat TrxR1 assessed as suppression of DTNB reduction incubated for 1 hr
50001408	2	ChEMBL_1719739 (CHEMBL4134739)	Inhibition of TrxR1 in human HL60 cells incubated for 24 hrs by endpoint insulin reduction assay
50001409	1	ChEMBL_1719825 (CHEMBL4134825)	Inhibition of human ERG by patch clamp assay
50001415	2	ChEMBL_1719877 (CHEMBL4134877)	Inhibition of oxidoreductase activity of recombinant Leishmania infantum trypanothione reductase pre-incubated for 10 mins before T[S]2 and NADPH addition
50001415	3	ChEMBL_1719878 (CHEMBL4134878)	Inhibition of dimerization of HIS/FLAG tagged Leishmania infantum trypanothione reductase incubated for 16 hrs in presence of dimerization buffer by ELISA
50001415	1	ChEBML_1719877	Inhibition of oxidoreductase activity of recombinant Leishmania infantum trypanothione reductase pre-incubated for 10 mins before T[S]2 and NADPH addition
50001416	1	ChEMBL_1719919 (CHEMBL4134919)	Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced intracellular calcium flux by whole cell patch clamp electrophysiology method
50001416	2	ChEMBL_1719894 (CHEMBL4134894)	Inhibition of human FLAG-tagged TRPM2 expressed in HEK293 cells assessed as reduction in H2O2-induced intracellular calcium flux pretreated for 30 secs followed by H2O2 addition measured for 120 secs by Fluo4-AM dye based fluorescence assay
50001416	3	ChEMBL_1719916 (CHEMBL4134916)	Inhibition of bee venom PLA2
50001416	4	ChEMBL_1719911 (CHEMBL4134911)	Inhibition of TRPM2 in rat INS-1 cells assessed as reduction in ADPR-induced intracellular calcium flux measured after 60 mins by whole cell patch clamp electrophysiology method
50001416	5	ChEMBL_1719890 (CHEMBL4134890)	Inhibition of mouse FLAG-tagged TRPM7 expressed in HEK293 cells assessed as reduction in BAPTA-induced intracellular calcium flux after 15 to 60 mins by whole cell patch clamp electrophysiology method
50001416	6	ChEMBL_1719886 (CHEMBL4134886)	Inhibition of human FLAG-tagged TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced intracellular calcium flux after 30 to 60 mins by whole cell patch clamp electrophysiology method
50001416	7	ChEMBL_1719918 (CHEMBL4134918)	Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced intracellular calcium flux at 0 mV holding potential by whole cell patch clamp electrophysiology method
50001425	1	ChEMBL_1720049 (CHEMBL4135049)	Inhibition of recombinant human MMP9 (Phe107 to Pro449 residues) expressed in Escherichia coli using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001425	2	ChEMBL_1720056 (CHEMBL4135056)	Inhibition of recombinant human MMP1 (Phe100 to Gln268 residues) using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001425	3	ChEMBL_1720057 (CHEMBL4135057)	Inhibition of recombinant human MMP8 (Phe99 to Gln269 residues) expressed in Escherichia coli using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001425	4	ChEMBL_1720059 (CHEMBL4135059)	Inhibition of recombinant human MMP14 (Tyr112 to Arg298 residues) expressed in Escherichia coli using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001425	5	ChEMBL_1720048 (CHEMBL4135048)	Inhibition of recombinant human MMP2 (Tyr110 to Asp452 residues) using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001425	6	ChEMBL_1720058 (CHEMBL4135058)	Inhibition of recombinant human MMP12 (Phe99 to Leu271 residues) expressed in Escherichia coli using Ac-Pro-Leu-Gly-S-Leu-Leu-Gly-OEt as substrate after 1 hr measured at 1 min time interval for 30 mins by microplate photometric method
50001400	1	ChEMBL_1720135 (CHEMBL4135135)	Inhibition of recombinant human His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus virus expression system after 1 hr by ELISA
50001400	2	ChEMBL_1720134 (CHEMBL4135134)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus virus expression system after 1 hr by ELISA
50001410	1	ChEMBL_1720162 (CHEMBL4135162)	Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells by luminescence assay
50001410	2	ChEMBL_1720161 (CHEMBL4135161)	Inhibition of human recombinant N-terminal His/GST-tagged LSD1 (172 to 852 residues) expressed in baculovirus infected insect cells using biotin-labeled H3K4me2 (1 to 24 residues) as substrate after 1 hr by TR-FRET assay
50001410	3	ChEMBL_1720163 (CHEMBL4135163)	Inhibition of human full length LSD2 using biotin-labeled H3K4me2 (1 to 24 residues) as substrate after 1 hr by TR-FRET assay
50001410	4	ChEMBL_1720165 (CHEMBL4135165)	Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 10 days by SYBR Green dye-bsed RT-qPCR analysis
50001410	5	ChEMBL_1720160 (CHEMBL4135160)	Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells by luminescence assay
50001410	6	ChEMBL_1720164 (CHEMBL4135164)	Inhibition of LSD1 in human MV-4-11 cells assessed as increase in CD86 mRNA expression after 3 days by SYBR Green dye-bsed RT-qPCR analysis
50041049	1	ChEMBL_106465 (CHEMBL858330)	Inhibitory activity against recombinant human matrix metalloprotease-13
50001399	1	ChEMBL_1720206 (CHEMBL4135206)	Mixed-type inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as substrate by Lineweaver-Burk plot analysis
50001399	2	ChEMBL_1720239 (CHEMBL4135239)	Inhibition of Trypanosoma cruzi trypanothione reductase
50001399	3	ChEMBL_1720207 (CHEMBL4135207)	Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as substrate by Lineweaver-Burk plot analysis
50001399	4	ChEMBL_1720205 (CHEMBL4135205)	Non-competitive inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as substrate by Lineweaver-Burk plot analysis
50001406	1	ChEMBL_1720243 (CHEMBL4135243)	Inhibition of polymerase activity of recombinant HIV1 reverse polymerase assessed as reduction in extension of an 18 nucleotide DNA primer using template/primer and dNTPs incubated for 30 mins
50001406	2	ChEMBL_1720242 (CHEMBL4135242)	Inhibition of RNH activity of recombinant HIV1 reverse transcriptase RNase H assessed as reduction in internal cleavage of RNA strand using RNA/DNA duplex substrate HTS-1
50001406	3	ChEMBL_1720244 (CHEMBL4135244)	Inhibition of HIV1 integrase pre-incubated for 10 mins before DNA substrate addition and measured after 30 mins
50041051	1	ChEBML_2508	Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand
50041051	2	ChEBML_84540	Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand
50041051	3	ChEBML_33197	Binding affinity for human cloned Alpha-2A adrenergic receptor
50041051	5	ChEBML_1744	Binding affinity for human cloned 5-hydroxytryptamine 1D receptor
50041051	6	ChEBML_62450	Binding affinity for human cloned Dopamine receptor D3
50041051	7	ChEBML_61645	Binding affinity for human cloned Dopamine receptor D2L
50041051	8	ChEBML_60840	Binding affinity for human cloned Dopamine receptor D4
50041051	9	ChEBML_1015	Binding affinity for human cloned 5-hydroxytryptamine 1A receptor
50041051	10	ChEBML_33868	Binding affinity for human cloned Alpha-1A adrenergic receptor
50041051	11	ChEBML_60810	Binding affinity for rat Dopamine receptor D2
50041051	12	ChEBML_3704	Binding affinity for human cloned 5-hydroxytryptamine 7 receptor
50041051	13	ChEBML_33660	Binding affinity for human cloned Alpha-2C adrenergic receptor
50041052	1	ChEBML_62451	Binding affinity for human cloned Dopamine receptor D3
50041052	2	ChEBML_60841	Binding affinity for human cloned Dopamine receptor D4
50041052	3	ChEBML_33869	Binding affinity for human cloned Alpha-1A adrenergic receptor
50041052	4	ChEBML_33661	Binding affinity for human cloned Alpha-2C adrenergic receptor
50041052	5	ChEBML_1016	Binding affinity for human cloned 5-hydroxytryptamine 1A receptor
50041052	6	ChEBML_2507	Binding affinity for human cloned 5-HT2A receptor expressed in L929 cells using [125I]R91150 as radioligand
50041052	7	ChEBML_84541	Binding affinity at human cloned Histamine H1 receptor expressed in CHO cells by [3H]pyrilamine displacement.
50041052	8	ChEBML_2740	Binding affinity at human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells by [3H]mesulergine displacement.
50041052	9	ChEBML_61646	Binding affinity for human cloned Dopamine receptor D2L
50041052	10	ChEBML_1745	Binding affinity for human cloned 5-hydroxytryptamine 1D receptor
50041052	11	ChEBML_33198	Binding affinity for human cloned Alpha-2A adrenergic receptor
50041052	12	ChEBML_60811	Binding affinity for rat Dopamine receptor D2
50041052	13	ChEMBL_33212 (CHEMBL643237)	Binding affinity for human cloned Alpha-2A adrenergic receptor
50041052	14	ChEMBL_2507 (CHEMBL617394)	Binding affinity for human cloned 5-HT2A receptor expressed in L929 cells using [125I]R91150 as radioligand
50041054	1	ChEBML_139978	Binding affinity against the muscarinic M1 (cortex) subtype was evaluated using [3H]pirenzepine
50041054	2	ChEBML_138225	Binding affinity against the muscarinic M2 (brainstem) subtype was evaluated using [3H]quinuclidinyl benzilate
50001412	1	ChEMBL_1720265 (CHEMBL4135265)	Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method
50001414	1	ChEMBL_1720283 (CHEMBL4135283)	Inhibition of C-terminal His-tagged human recombinant full-length HDAC8 expressed in baculovirus expression system assessed as reduction in 7-amino-4-methylcoumarin by fluorescence based assay
50001414	2	ChEMBL_1720281 (CHEMBL4135281)	Inhibition of HDAC in human HeLa nuclear extracts incubated for 60 mins using fluorometric substrate by fluorometric assay
50041057	1	ChEBML_36514	Inhibitory activity of compound against HIV-1 aspartyl protease.
50001418	1	ChEMBL_1720304 (CHEMBL4135304)	Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mins by Ellman's method
50001418	2	ChEMBL_1720303 (CHEMBL4135303)	Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis
50001418	3	ChEMBL_1720305 (CHEMBL4135305)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mins by Ellman's method
50001419	1	ChEMBL_1720319 (CHEMBL4135319)	Inhibition of BuChE (unknown origin) pre-incubated for 20 mins before S-Butyrylthiocholine iodide substrate addition by Ellman reagent based spectrophotometry
50001420	1	ChEMBL_1720334 (CHEMBL4135334)	Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by liquid scintillation counting analysis
50001420	2	ChEMBL_1720335 (CHEMBL4135335)	Binding affinity to C-terminal DDK-tagged human recombinant full-length TSPO expressed in HEK293 cells by SPR assay
50001422	1	ChEMBL_1720369 (CHEMBL4135369)	Inhibition of human COX-1 using [14C]-arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by thin layer chromatographic method
50001422	2	ChEMBL_1720374 (CHEMBL4135374)	Inhibition of human kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 40 mins by radio immunoassay
50001422	3	ChEMBL_1720370 (CHEMBL4135370)	Inhibition of human COX-2 using [14C]-arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by thin layer chromatographic method
50001422	4	ChEMBL_1720376 (CHEMBL4135376)	Inhibition of rat kidney microsomal COX assessed as PGE2 level using arachidonic acid as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 40 mins by radio immunoassay
50018137	4	ChEMBL_2265221	Binding affinity to sigma 2 receptor (unknown origin)
50018137	5	ChEMBL_2265222	Binding affinity to dopamine 3 receptor (unknown origin)
50018137	6	ChEMBL_2265223	Binding affinity to dopamine 5 receptor (unknown origin)
50018137	7	ChEMBL_2265224	Binding affinity to adrenergic alpha 2b receptor (unknown origin)
50018137	8	ChEMBL_2265225	Binding affinity to adrenergic alpha 2c receptor (unknown origin)
50018137	9	ChEMBL_2265226	Binding affinity to sigma 1 receptor (unknown origin)
50018137	10	ChEMBL_2265227	Binding affinity to histamine H1 receptor (unknown origin)
50013405	6	ChEBML_84013	Inhibition of GST-IkB phosphorylation by TNF-alpha stimulated HeLa cell lysate (IP-IKKgamma)
50035319	2	ChEBML_158540	Inhibition of human Potassium channel HERG expressed in mammalian cells
50013590	6	ChEBML_99369	Inhibition of MEK-1 Kinase phosphorylation in LoVo cells
50041061	1	ChEBML_60942	Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone
50041061	2	ChEBML_2422	Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin
50041063	1	ChEMBL_157692 (CHEMBL873458)	Binding affinity towards Prostaglandin G/H synthase 2
50041063	2	ChEMBL_159248 (CHEMBL873460)	Binding affinity towards Prostaglandin G/H synthase 1
50041063	3	ChEMBL_159249 (CHEMBL764076)	Binding affinity towards Prostaglandin G/H synthase 1; ND=No data
50041064	1	ChEBML_155132	Inhibition of 1-monooleoyl glycerol (MOG) induced beta-hematin formation
50001424	1	ChEMBL_1720392 (CHEMBL4135392)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by substrate addition by UV spectrophotometric method
50001426	1	ChEMBL_1720397 (CHEMBL4135397)	Inhibition of ACE (unknown origin) using Hippuryl-L-Histidyl-L-Leucine as substrate after 60 mins by colorimetric method
50001440	1	ChEMBL_1720483 (CHEMBL4135483)	Modulation of gamma-secretase (unknown origin) expressed in HEK293 cells harboring SCP99-Lon mutation assessed as reduction in Abeta42 production after 5 hrs by sandwich immunoassay
50001440	2	ChEMBL_1720496 (CHEMBL4135496)	Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta 42 level
50001413	1	ChEMBL_1720523 (CHEMBL4135523)	Displacement of FITC-GDA from Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay
50001413	2	ChEMBL_1720522 (CHEMBL4135522)	Displacement of FITC-GDA from recombinant canine Grp94 expressed in baculovirus infected Sf21 insect cells after 24 hrs by fluorescence polarization assay
50041067	1	ChEBML_48837	Inhibition constant against human factor Xa
50041067	2	ChEBML_208677	Inhibition constant against human thrombin
50001395	1	ChEMBL_1720532 (CHEMBL4135532)	Inhibition of human ERG
50018137	11	ChEMBL_2265228	Binding affinity to adrenergic beta 3 (unknown origin)
50018137	12	ChEMBL_2265229	Binding affinity to 5-HT2A (unknown origin)
50018138	1	ChEMBL_2265231	Binding affinity to HDM2 (unknown origin)
50018138	2	ChEMBL_2265232	Inhibition of MCL-1 (unknown origin) by TR-FRET assay
50018138	3	ChEMBL_2265233	Inhibition of MCL-1 in human MOLP8 cells assessed as increase in caspase 3/7 activation
50018138	4	ChEMBL_2265234	Displacement of FITC-labelled BID-BH3 from MCL-1 (unknown origin)
50035370	1	ChEBML_35934	Effective concentration against Androgen receptor
50001421	1	ChEMBL_1720533 (CHEMBL4135533)	Displacement of 5'FAM-LTFEHYWAQLTS from recombinant human N-terminal MDM2 (1 to 118 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL after 15 mins by fluorescence polarization assay
50013073	8	ChEMBL_205988 (CHEMBL810917)	Inhibitory activity against progesterone receptor induced alkaline phosphatase activity in human T47D breast carcinoma cells
50001421	2	ChEMBL_1720535 (CHEMBL4135535)	Binding affinity to recombinant N-terminal domain of human 15N-labeled MDM2 (1 to 118 residues) at Arg29 residue expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL by 1H-15N HSQC NMR spectrometric method
50001421	3	ChEMBL_1720536 (CHEMBL4135536)	Displacement of fluorescent-labelled P4 peptide from recombinant human MDM2 expressed in Escherichia coli BL21(DE3) Rosetta after 30 mins by fluorescence polarization assay
50001427	1	ChEMBL_1720539 (CHEMBL4135539)	Inhibition of recombinant human full length HDAC6 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50041072	1	ChEBML_31135	Concentration required for 50% inhibition of the adenosine kinase (AK) activity.
50001427	2	ChEMBL_1720538 (CHEMBL4135538)	Inhibition of recombinant human full length HDAC1 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence assay
50001428	1	ChEMBL_1720556 (CHEMBL4135556)	Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assay
50001428	2	ChEMBL_1720557 (CHEMBL4135557)	Inhibition of recombinant human His-tagged cIAP1 (Leu250 to Gly350 residues) expressed in Escherichia coli by TR-FRET assay
50001428	3	ChEMBL_1720559 (CHEMBL4135559)	Inhibition of recombinant human His-tagged XIAP (Asn252 to Thr356 residues) expressed in Escherichia coli by TR-FRET assay
50001428	4	ChEMBL_1720558 (CHEMBL4135558)	Inhibition of recombinant human His-tagged cIAP2 (Gln238 to Ser349 residues) expressed in Escherichia coli by TR-FRET assay
50041074	1	ChEBML_46615	Cannabinoid receptor 1 dependent activity of compound was evaluated by using [35S]GTP-gamma-S-binding studies
50035399	1	ChEMBL_42940 (CHEMBL656306)	Ability to stimulate [3H]inositol phosphates accumulation in HEK293 cells expressing the human calcium sensing receptor (CaSR) at 2 mM [Ca2+]
50014848	2	ChEMBL_223545 (CHEMBL845852)	Inhibitory concentration against C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand
50001431	1	ChEMBL_1720591 (CHEMBL4135591)	Inhibition of RIPK2 in human PBMCs assessed as reduction in MDP-stimulated IL8 secretion measured after 18 hrs
50001431	2	ChEMBL_1720584 (CHEMBL4135584)	Inhibition of full length RIPK2 (unknown origin) pretreated for 30 mins followed by ATP addition measured after 2 hrs by ADP-d2 tracer based fluorescence assay
50001431	3	ChEMBL_1720615 (CHEMBL4135615)	Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha secretion measured after 5 hrs
50001431	4	ChEMBL_1720585 (CHEMBL4135585)	Inhibition of Lyn (unknown origin)
50001431	5	ChEMBL_1720586 (CHEMBL4135586)	Inhibition of Lck (unknown origin)
50001431	6	ChEMBL_1720614 (CHEMBL4135614)	Inhibition of RIPK2 in C57BL/6 mouse BMDM assessed as reduction in MDP/LPS-stimulated IL6 secretion pretreated for 30 mins followed by MDP/LPS stimulation after 18 hrs
50001431	7	ChEMBL_1720616 (CHEMBL4135616)	Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha secretion pretreated for 30 mins followed by MDP stimulation measured after 20 hrs
50001435	1	ChEMBL_1720737 (CHEMBL4135737)	Inhibition of GSK3beta (unknown origin) after 1 hr by fluorescence polarization assay
50001435	2	ChEMBL_1720739 (CHEMBL4135739)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr
50001435	3	ChEMBL_1720741 (CHEMBL4135741)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr
50001435	4	ChEMBL_1720736 (CHEMBL4135736)	Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrate pretreated for 30 mins followed by substrate addition measured after 1 hr by IMAP assay
50001435	5	ChEMBL_1720740 (CHEMBL4135740)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr
50001435	6	ChEMBL_1720742 (CHEMBL4135742)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate pretreated for 15 mins followed by substrate addition measured after 1 hr
50001435	7	ChEMBL_1720738 (CHEMBL4135738)	Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate in presence of [gamma-33P]-ATP
50001438	1	ChEMBL_1720745 (CHEMBL4135745)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50001438	2	ChEMBL_1720747 (CHEMBL4135747)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50001438	3	ChEMBL_1720746 (CHEMBL4135746)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50001438	4	ChEMBL_1720744 (CHEMBL4135744)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50001423	1	ChEMBL_1720748 (CHEMBL4135748)	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysis
50001423	2	ChEMBL_1720754 (CHEMBL4135754)	Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG level after 48 hrs by LC-MS/MS analysis
50001423	3	ChEMBL_1720749 (CHEMBL4135749)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay
50001423	4	ChEMBL_1720751 (CHEMBL4135751)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay
50001423	5	ChEMBL_1720750 (CHEMBL4135750)	Inhibition of wild-type IDH1 (unknown origin) assessed as NADPH production using isocitrate as substrate by fluorescence assay
50001423	6	ChEMBL_1720757 (CHEMBL4135757)	Inhibition of IDH2 R172K mutant (unknown origin) expressed in human HCT116 cells assessed as reduction in 2-HG level
50001423	7	ChEMBL_1720755 (CHEMBL4135755)	Inhibition of IDH1 R132H mutant in human MCF10A cells assessed as cell growth inhibition
50001423	8	ChEMBL_1720758 (CHEMBL4135758)	Inhibition of IDH2 R140Q mutant (unknown origin) expressed in human HCT116 cells assessed as reduction in 2-HG level
50014557	2	ChEBML_72895	Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50
50014038	4	ChEBML_164130	Inhibitory activity against calf thymus RNA polymerase
50001432	1	ChEMBL_1720812 (CHEMBL4135812)	Inhibition of recombinant human GST-tagged PTP1B catalytic domain expressed in Escherichia coli BL21 using para-nitrophenyl phosphate as substrate
50018140	1	ChEMBL_2265235	Inhibition of human Nav1.5 in inactivated condition by automated patch-clamp assay
50018140	2	ChEMBL_2265236	Inhibition of human Nav1.7 in inactivated condition by automated patch-clamp assay
50018140	3	ChEMBL_2265237	Inhibition of human Nav1.1 at -60 mV holding potential by automated patch-clamp assay
50018140	4	ChEMBL_2265238	Inhibition of human Nav1.5 at -60 mV holding potential by automated patch-clamp assay
50018140	5	ChEMBL_2265239	Inhibition of human Nav1.7 at -60 mV holding potential by automated patch-clamp assay
50018140	6	ChEMBL_2265240	Inhibition of human Nav1.7 in inactivated condition by manual patch-clamp assay
50018140	7	ChEMBL_2265241	Inhibition of human Nav1.5
50018140	8	ChEMBL_2265242	Inhibition of human Nav1.7
50018140	9	ChEMBL_2265243	Inhibition of human Nav1.1 in inactivated condition by automated patch-clamp assay
50018140	10	ChEMBL_2265244	Inhibition of human Nav1.7 at -30 mV holding potential by automated patch-clamp assay
50018140	11	ChEMBL_2265245	Inhibition of mouse Nav1.7 at -30 mV holding potential by automated patch-clamp assay
50018140	12	ChEMBL_2265248	Inhibition of rat Nav1.7 in 20% inactivated condition by manual patch-clamp assay
50018140	13	ChEMBL_2265251	Inhibition of Nav1.2 (unknown origin)
50018140	14	ChEMBL_2265252	Inhibition of Nav1.6 (unknown origin)
50018140	15	ChEMBL_2265256	Inhibition of mouse Nav1.7 in inactivated condition by automated patch-clamp assay
50018140	16	ChEMBL_2265257	Inhibition of human Nav1.7 at -60 mV holding potential by manual patch-clamp assay
50018140	17	ChEMBL_2265258	Inhibition of mouse Nav1.7 at -70 mV holding potential by manual patch-clamp assay
50018140	18	ChEMBL_2265259	Inhibition of mouse DRG neuron Nav1.7 at -70 mV holding potential by manual patch-clamp assay
50018140	19	ChEMBL_2265260	Inhibition of human Nav1.1 by 5-Hz use-dependent voltage protocol based automated patch-clamp assay
50018140	20	ChEMBL_2265261	Inhibition of human Nav1.5 by 5-Hz use-dependent voltage protocol based automated patch-clamp assay
50018140	21	ChEMBL_2265262	Inhibition of human Nav1.7 by 5-Hz use-dependent voltage protocol based automated patch-clamp assay
50018140	22	ChEMBL_2265263	Inhibition of human Nav1.7 at voltage yielding 20 to 50% channel inactivation by automated patch-clamp assay
50018140	23	ChEMBL_2265264	Inhibition of mouse Nav1.7 at voltage yielding 20 to 50% channel inactivation by automated patch-clamp assay
50018140	24	ChEMBL_2265265	Inhibition of mouse Nav1.7 by 5-Hz use-dependent voltage protocol based automated patch-clamp assay
50018140	25	ChEMBL_2265266	Inhibition of human Nav1.1 at voltage yielding 20% channel inactivation by automated patch-clamp assay
50018140	26	ChEMBL_2265267	Inhibition of human Nav1.5 at voltage yielding 20% channel inactivation by automated patch-clamp assay
50018140	27	ChEMBL_2265268	Inhibition of human Nav1.7 at voltage yielding 20% channel inactivation by manual patch-clamp assay
50018140	28	ChEMBL_2265271	Inhibition of human Nav1.1 at -45 mV holding potential by manual patch-clamp assay
50018140	29	ChEMBL_2265272	Inhibition of human Nav1.5 at -60 mV holding potential by manual patch-clamp assay
50018140	30	ChEMBL_2265273	In vivo inhibition of Nav1.7 in IEM mouse model of aconitine-induced pain
50018142	1	ChEMBL_2265282	Binding affinity to FGFR1 (unknown origin) assessed as dissociation constant
50018142	2	ChEMBL_2265283	Binding affinity to FGFR2 (unknown origin) assessed as dissociation constant
50018142	3	ChEMBL_2265284	Binding affinity to FGFR3 (unknown origin) assessed as dissociation constant
50018143	1	ChEMBL_2265308	Inhibition of wild type ALK (unknown origin)
50018143	2	ChEMBL_2265309	Inhibition of ALK L1196M mutant (unknown origin)
50018143	3	ChEMBL_2265310	Inhibition of EGFR (unknown origin)
50018143	4	ChEMBL_2265311	Inhibition of c-MET (unknown origin)
50018144	1	ChEMBL_2265317	Inhibition of human PD-1/PDL1 protein-protein interaction by HTRF assay
50018144	2	ChEMBL_2265318	Inhibition of human PD-1/PDL1 protein-protein interaction
50018144	3	ChEMBL_2265319	Inhibition of human PD-1/PDL1 protein-protein interaction by luminescence proximity homogeneous assay
50018144	4	ChEMBL_2265320	Binding affinity to human PD-1 assessed as dissociation constant by SPR assay
50018144	5	ChEMBL_2265321	Inhibition of human PD-1/PDL1 protein-protein interaction by TR-FRET assay
50018144	6	ChEMBL_2265322	Binding affinity to human PDL1 assessed as dissociation constant by MST method
50018146	1	ChEMBL_2265324	Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins
50018146	2	ChEMBL_2265326	Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Abz-SVTLQSG-Y(NO2)-R as substrate incubated for 10 mins by FRET assay
50018146	3	ChEMBL_2265327	Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant
50001444	1	ChEMBL_1720860 (CHEMBL4135860)	Inhibition of TIE-2 (unknown origin) after 4 hrs by ADP-Glo luminescence assay
50001444	2	ChEMBL_1720859 (CHEMBL4135859)	Inhibition of VEGFR-2 (unknown origin) after 60 mins by ADP-Glo luminescence assay
50001444	3	ChEMBL_1720868 (CHEMBL4135868)	Inhibition of IGF1-R (unknown origin)
50041084	3	ChEMBL_55257 (CHEMBL667608)	Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei
50001444	4	ChEMBL_1720861 (CHEMBL4135861)	Inhibition of EphB4 (unknown origin) after 4 hrs by ADP-Glo luminescence assay
50041084	4	ChEMBL_55260 (CHEMBL667764)	Tested for the inhibition of Plasmodium berghei dihydrofolate reductase enzyme
50041085	2	ChEMBL_76823 (CHEMBL691486)	The apparent pA2 value was measured for beta-2 adrenergic blocking activity on the trachea of guinea pig
50001444	5	ChEMBL_1720869 (CHEMBL4135869)	Inhibition of BRAF (unknown origin)
50001444	6	ChEMBL_1720864 (CHEMBL4135864)	Inhibition of EGFR (unknown origin)
50041086	1	ChEMBL_210576 (CHEMBL816527)	Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin
50041086	2	ChEMBL_210579 (CHEMBL816530)	concentration at which the clotting time was prolonged by twice the control was determined using commercial topical bovine thrombin.
50001444	7	ChEMBL_1720871 (CHEMBL4135871)	Inhibition of cMET (unknown origin)
50041087	1	ChEMBL_210578 (CHEMBL816529)	Bovine thrombin concentration at which clotting time was prolonged 2x over the control.
50001444	8	ChEMBL_1720870 (CHEMBL4135870)	Inhibition of cKIT (unknown origin)
50001444	9	ChEMBL_1720867 (CHEMBL4135867)	Inhibition of PDGFRbeta (unknown origin)
50001444	10	ChEMBL_1720865 (CHEMBL4135865)	Inhibition of FGFR-1 (unknown origin)
50001444	11	ChEMBL_1720863 (CHEMBL4135863)	Inhibition of VEGFR-3 (unknown origin)
50041088	5	ChEMBL_53949 (CHEMBL669274)	Ability to inhibit human HeLa cell dihydrofolate reductase in vitro was determined
50041088	6	ChEMBL_53951 (CHEMBL669276)	Ability to inhibit human HeLa cell dihydrofolate reductase in vitro was determined
50001444	12	ChEMBL_1720862 (CHEMBL4135862)	Inhibition of VEGFR-1 (unknown origin)
50041089	3	ChEMBL_270 (CHEMBL615711)	Antagonistic activity of corresponding methoxy compound against serotonin 5-HT receptor
50041091	2	ChEMBL_201181 (CHEMBL801427)	Inhibitory activity against spermine synthase
50041092	1	ChEMBL_2898 (CHEMBL858114)	Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fundus
50041092	2	ChEMBL_2899 (CHEMBL617616)	Affinity against serotonergic receptor in the isolated rat stomach fundus
50041093	1	ChEMBL_55307 (CHEMBL666236)	Inhibitory activity against dihydrofolate reductase of rat liver
50041094	2	ChEMBL_37850 (CHEMBL876540)	Antagonist activity of compound against Beta-2 adrenergic receptor in isolated guinea pig trachea
50041095	1	ChEMBL_52262 (CHEMBL665215)	Ability to inhibit cytoplasmic malate dehydrogenase
50041095	2	ChEMBL_123822 (CHEMBL733653)	Ability to inhibit mitochondrial malate dehydrogenase
50041097	1	ChEMBL_197199 (CHEMBL798948)	Inhibitory activity against S-adenosyl-homocysteine hydrolase
50041098	1	ChEMBL_217506 (CHEMBL823582)	Inhibition of rat brain particulate cGMP phosphodiesterase
50041098	2	ChEMBL_217502 (CHEMBL823578)	Inhibition of rat brain particulate cGMP phosphodiesterase
50041099	4	ChEMBL_38008 (CHEMBL655218)	In vitro ability to block beta-2 adrenergic receptor in guinea pig trachea.
50001444	13	ChEMBL_1720866 (CHEMBL4135866)	Inhibition of FGFR-4 (unknown origin)
50001433	1	ChEMBL_1720884 (CHEMBL4135884)	Agonist activity at human FPR1 expressed in human HL60 cells assessed as induction of calcium mobilization measured every 5 secs for 240 secs by Fluo-4-AM dye based fluorometric method
50001433	2	ChEMBL_1720882 (CHEMBL4135882)	Agonist activity at human FPR2 expressed in human HL60 cells assessed as induction of calcium mobilization measured every 5 secs for 240 secs by Fluo-4-AM dye based fluorometric method
50001433	3	ChEMBL_1720889 (CHEMBL4135889)	Agonist activity at FPR2 in human neutrophils assessed as induction of calcium mobilization measured every 5 secs for 240 secs by Fluo-4-AM dye based fluorometric method
50001433	4	ChEMBL_1720886 (CHEMBL4135886)	Agonist activity at human FPR2 expressed in human HL60 cells assessed as induction of calcium mobilization
50001433	5	ChEMBL_1720888 (CHEMBL4135888)	Agonist activity at human FPR1 expressed in human HL60 cells assessed as induction of calcium mobilization
50001433	6	ChEMBL_1720891 (CHEMBL4135891)	Agonist activity at FPR2 in human neutrophils assessed as induction of calcium mobilization
50001434	1	ChEMBL_1720919 (CHEMBL4135919)	Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-Quencher as substrate incubated under dark condition for 90 mins by FRET assay
50001446	1	ChEMBL_1720957 (CHEMBL4135957)	Inhibition of alpha-glucosidase (unknown origin) using p-NPG as substrate pretreated for 10 mins followed by substrate addition measured after 5 mins
50001441	1	ChEMBL_1721017 (CHEMBL4136017)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured during 6 mins by Ellman's method
50001450	1	ChEMBL_1721222 (CHEMBL4136222)	Inhibition of MAPK p38 (unknown origin)
50041102	1	ChEBML_84894	In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal homogenate
50018146	4	ChEMBL_2265330	Inhibition of C-terminal His-tagged SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 Main protease expressed in Escherichia coli using Dabcyl-KTSAVLQ/SGFRKME(Edans) as substrate by FRET assay
50001451	1	ChEMBL_1721223 (CHEMBL4136223)	Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr before IL-6 stimulation for 6 hrs by luciferase reporter gene assay
50004383	1	ChEBML_209977	Inhibitory activity against thymidylate synthase in murine tumor cells
50041105	3	ChEMBL_36223 (CHEMBL647919)	Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats
50001456	1	ChEMBL_1721241 (CHEMBL4136241)	Antagonist activity at recombinant human His6-tagged ERalpha LBD (298 to 554 residues) Y537S mutant expressed in Escherichia coli assessed as inhibition of estradiol-induced fluorescein-labeled PGC1alpha coactivator peptide binding after overnight incubation by Lantascreen TR-FRET assay
50041105	4	ChEMBL_36219 (CHEMBL647915)	Effect on Aryl hydrocarbon hydroxylase activity in 3-methylcolanthrene-induced rat liver microsomes at 2.6x10E-4M
50041105	5	ChEMBL_35525 (CHEMBL644758)	Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats
50001456	2	ChEMBL_1721240 (CHEMBL4136240)	Antagonist activity at recombinant human His6-tagged ERalpha LBD (298 to 554 residues) D538G mutant expressed in Escherichia coli assessed as inhibition of estradiol-induced fluorescein-labeled PGC1alpha coactivator peptide binding after overnight incubation by Lantascreen TR-FRET assay
50001456	3	ChEMBL_1721245 (CHEMBL4136245)	Induction of ERalpha degradation in human MCF7 cells after 4 hrs by in cell western assay
50001456	4	ChEMBL_1721239 (CHEMBL4136239)	Antagonist activity at recombinant human His6-tagged ERalpha LBD (298 to 554 residues) expressed in Escherichia coli assessed as inhibition of estradiol-induced fluorescein-labeled PGC1alpha coactivator peptide binding after overnight incubation by Lantascreen TR-FRET assay
50041105	6	ChEMBL_35522 (CHEMBL644755)	Inhibition of Aminopyrine N-demethylase in Phenobarbitone-treated rats
50041106	2	ChEMBL_29963 (CHEMBL640397)	Concentration required for 50% inhibition of human leukocyte alkaline phosphatase in the presence of 10 mM p-nitrophenyl phosphate as substrate
50041106	3	ChEMBL_29968 (CHEMBL642161)	Concentration required for 50% inhibition of human leukocyte alkaline phosphatase in the presence of 10 mM p-nitrophenyl phosphate as substrate
50041107	1	ChEMBL_35524 (CHEMBL644757)	Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats.
50001457	1	ChEMBL_1721250 (CHEMBL4136250)	Inhibition of full length human PDE4D3
50001457	2	ChEMBL_1721249 (CHEMBL4136249)	Inhibition of full length human PDE4C1
50001457	3	ChEMBL_1721248 (CHEMBL4136248)	Inhibition of full length human PDE4A3
50001457	4	ChEMBL_1721247 (CHEMBL4136247)	Inhibition of full length human PDE4B1
50041108	1	ChEBML_84892	Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimulated chronotropic response of the guinea pig atrium
50001458	1	ChEMBL_1721251 (CHEMBL4136251)	Inhibition of full length LSD1 (unknown origin) using H3K4me1 as substrate incubated for 30 mins followed by substrate addition measured after 60 mins in presence of FAD by LC-MS analysis
50001459	1	ChEMBL_1721253 (CHEMBL4136253)	Inhibition of Bothrops pauloensis MP1 assessed as reduction in azocaseinolytic activity after 30 mins
50001460	1	ChEMBL_1721264 (CHEMBL4136264)	Inhibition of human ERG
50001460	2	ChEMBL_1721263 (CHEMBL4136263)	Inhibition of PDGFR in mouse NIH/3T3 cells assessed as reduction in recombinant human PDGF-BB-induced cell proliferation after 42 hrs by cell titer 96 aqueous one solution based assay
50001460	3	ChEMBL_1721262 (CHEMBL4136262)	Inhibition of recombinant VEGFR2 (unknown origin) by off-chip mobility shift assay
50001460	4	ChEMBL_1721261 (CHEMBL4136261)	Inhibition of recombinant PDGFRbeta (unknown origin) by off-chip mobility shift assay
50001460	5	ChEMBL_1721260 (CHEMBL4136260)	Inhibition of recombinant FGFR1 (unknown origin) by off-chip mobility shift assay
50001460	6	ChEMBL_1721296 (CHEMBL4136296)	Inhibition of recombinant c-KIT (unknown origin) by off-chip mobility shift assay
50041112	1	ChEMBL_71275 (CHEMBL685164)	In vitro inhibition of porcine Glycolate oxidase
50041113	1	ChEMBL_37999 (CHEMBL651633)	Beta-2 adrenergic receptor blocking activity in trachea of guinea pig.
50041115	1	ChEBML_55071	Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)
50041115	2	ChEMBL_53616 (CHEMBL661845)	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)
50041115	3	ChEBML_53616	Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)
50001460	7	ChEMBL_1721295 (CHEMBL4136295)	Inhibition of recombinant RET (unknown origin) by off-chip mobility shift assay
50001461	1	ChEMBL_1721300 (CHEMBL4136300)	Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay
50001461	2	ChEMBL_1721302 (CHEMBL4136302)	Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay
50041117	1	ChEMBL_52883 (CHEMBL663685)	Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37
50041120	1	ChEBML_59717	The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible (dopamine receptor from Canine striatal membranes). Result indicates the mean of two separate experiments, each performed in triplicate.
50041121	1	ChEMBL_38614 (CHEMBL652296)	Compound was evaluated for competitive antagonism of beta-2 adrenergic receptor in rat uterus measured as pA2 (-log KB)
50001463	1	ChEMBL_1721336 (CHEMBL4136336)	Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45 mins in presence of NADPH by fluorescence assay
50001467	1	ChEMBL_1721385 (CHEMBL4136385)	Binding affinity to delta-type opioid receptor (unknown origin)
50001467	2	ChEMBL_1721378 (CHEMBL4136378)	Displacement of [125I]-Deltorphin II from mouse FLAG-tagged delta-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analysis
50001467	3	ChEMBL_1721379 (CHEMBL4136379)	Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions
50001467	4	ChEMBL_1721380 (CHEMBL4136380)	Agonist activity at delta-type opioid receptor in mouse vas deferens assessed as inhibition of electrically stimulated contractions
50001467	5	ChEMBL_1721377 (CHEMBL4136377)	Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analysis
50041124	1	ChEMBL_85332 (CHEMBL694843)	Antagonistic activity against H2 receptor in guinea pig.
50041124	2	ChEMBL_70850 (CHEMBL680350)	Antagonistic activity against H2 receptor in guinea pig was evaluated
50001467	6	ChEMBL_1721384 (CHEMBL4136384)	Binding affinity to Mu-type opioid receptor (unknown origin)
50001467	7	ChEMBL_1721390 (CHEMBL4136390)	Displacement of [3H]naloxone from Mu-type opioid receptor in Sprague-Dawley rat brain membranes
50001467	8	ChEMBL_1721391 (CHEMBL4136391)	Displacement of [3H][Ile5,6]-deltorphin II from delta-type opioid receptor in Sprague-Dawley rat brain membranes
50018146	5	ChEMBL_2265331	Binding affinity to C-terminal His-tagged SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 Main protease expressed in Escherichia coli assessed as inhibition constant
50018146	6	ChEMBL_2265332	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as fluorogenic peptide measured for 20 mins by fluorescence based analysis
50018146	7	ChEMBL_2265334	Inhibition of SARS-CoV-2 Main protease
50003182	3	ChEBML_32091	Inhibitory activity against rat lens aldose reductase
50035555	1	ChEBML_193377	The compound was tested for inhibition of rat plasma renin at pH of 7.4.
50035555	3	ChEBML_162715	The compound was tested for inhibition of rabbit liver cathepsin D.
50001467	9	ChEMBL_1721387 (CHEMBL4136387)	Displacement of [H][p-ClPhe4]-DPDPE from delta-type opioid receptor in Sprague-Dawley rat brain homogenates after 180 mins by scintillation counting
50001467	10	ChEMBL_1721388 (CHEMBL4136388)	Agonist activity at mu-opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically induced contractions after 3 mins post dose
50035555	6	ChEBML_158245	The compound was tested for inhibition of porcine pepsin.
50001467	11	ChEMBL_1721389 (CHEMBL4136389)	Agonist activity at delta-type opioid receptor in ICR mouse vas deferens assessed as potentiation of electrically stimulated contractions after 3 mins post dose
50035555	10	ChEBML_36148	The compound was tested for inhibition of Angiotensin I converting enzyme
50001467	12	ChEMBL_1721386 (CHEMBL4136386)	Displacement of [3H]-CTOP from Mu-type opioid receptor in Sprague-Dawley rat brain homogenate after 180 mins by scintillation counting
50001468	1	ChEMBL_1721403 (CHEMBL4136403)	Inhibition of recombinant wild type HIV1 reverse transcriptase using DIG-labeled dUTP/biotin-labeled dUTP and dTTP as template and viral nucleotides assessed as decrease in biotin-dUTP incorporation after 1 hr by ELISA
50001469	1	ChEMBL_1721406 (CHEMBL4136406)	Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50001469	2	ChEMBL_1721407 (CHEMBL4136407)	Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50041127	1	ChEBML_63630	Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant
50041127	2	ChEBML_153468	Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant
50041127	3	ChEBML_49611	Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant
50018146	8	ChEMBL_2265336	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli preincubated for 30 mins followed by substrate addition and measured for 1 hr
50001469	3	ChEMBL_1721405 (CHEMBL4136405)	Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50018146	9	ChEMBL_2265339	Inhibition of N-terminal His-SUMO tagged SARS-CoV-2 Main protease transfected in Escherichia coli BL21 (DE3) using DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins
50018146	10	ChEMBL_2265342	Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as fluorogenic substrate incubated for 30 mins followed by substrate addition by fluorescence based analysis
50018146	11	ChEMBL_2265343	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQSGFRKM-EDANS as substrate preincubated for 1 hr followed by substrate addition and measured after 15 mins by FRET assay
50018146	12	ChEMBL_2265344	Inhibition of Cathepsin L (unknown origin) preincubated for 30 mins followed by fluorogenic substrate addition and measured for 15 mins by fluorescence microplate reader analysis
50018146	13	ChEMBL_2265345	Inhibition of SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 Main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME(Edans) as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by FRET assay
50018146	14	ChEMBL_2265349	Inhibition of SARS-CoV-2 Main protease transfected in Escherichia coli BL21-Gold (DE3) using (Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assay
50018146	15	ChEMBL_2265353	Inhibition of N-terminal GST-tagged SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as fluorogenic substrate measured for 3 mins by fluorescence based plate reader analysis
50018146	16	ChEMBL_2265355	Inhibition of C-terminal 6His-tagged SARS-CoV-2 Main protease expressed in Escherichia coli BL21-Gold (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 10 mins by FRET assay
50018146	17	ChEMBL_2265356	Inhibition of SARS-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 4 hrs by fluorescence based assay
50018146	18	ChEMBL_2265358	Inhibition of N-terminal GST-tagged recombinant full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by FRET assay
50018146	19	ChEMBL_2265361	Inhibition of SARS-CoV-2 3CL protease incubated for 10 mins by FRET assay
50001469	4	ChEMBL_1721408 (CHEMBL4136408)	Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50018146	20	ChEMBL_2265363	Inhibition of recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) cells using Mca-AVLQSGFR-K(Dnp)K as substrate preincubated for 15 mins followed by substrate addition by FRET assay
50018146	21	ChEMBL_2265365	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21-Gold (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate incubated for 30 mins followed by substrate addition by FRET assay
50041130	1	ChEBML_51195	Inhibitory constant (Ki) for Cytochrome P450 19A1
50018146	22	ChEMBL_2265366	Inhibition of SARS-CoV-2 Main protease by FRET assay
50018147	1	ChEMBL_2265375	Binding affinity to sigma 1 receptor (unknown origin)
50018147	2	ChEMBL_2265376	Binding affinity to D2R receptor (unknown origin)
50018147	3	ChEMBL_2265377	Binding affinity to muscarinic 1 receptor (unknown origin)
50018147	4	ChEMBL_2265378	Binding affinity to muscarinic 2 receptor (unknown origin)
50018147	5	ChEMBL_2265379	Binding affinity to muscarinic 3 receptor (unknown origin)
50018147	6	ChEMBL_2265380	Binding affinity to muscarinic 4 receptor (unknown origin)
50018147	7	ChEMBL_2265381	Binding affinity to human sigma 1 receptor
50001476	1	ChEMBL_1721449 (CHEMBL4136449)	Inhibition of recombinant human N-terminal GST-tagged ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50018147	8	ChEMBL_2265382	Binding affinity to human sigma 2 receptor
50001476	2	ChEMBL_1721451 (CHEMBL4136451)	Inhibition of recombinant human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	3	ChEMBL_1721453 (CHEMBL4136453)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) G1269A mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	4	ChEMBL_1721448 (CHEMBL4136448)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	5	ChEMBL_1721450 (CHEMBL4136450)	Inhibition of recombinant human N-terminal GST-tagged c-MET cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50018147	9	ChEMBL_2265383	Displacement of [H3]DTG from sigma 1 receptor (unknown origin) by competition binding assay
50018147	10	ChEMBL_2265384	Displacement of [H3]DTG from sigma 2 receptor (unknown origin) by competition binding assay
50001476	6	ChEMBL_1721452 (CHEMBL4136452)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) L1196M mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	7	ChEMBL_1721456 (CHEMBL4136456)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) G1202R mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	8	ChEMBL_1721454 (CHEMBL4136454)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) C1156Y mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	9	ChEMBL_1721455 (CHEMBL4136455)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) T1151 insertion mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50001476	10	ChEMBL_1721457 (CHEMBL4136457)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) S1206Y mutant expressed in baculovirus expression system using peptide substrate after 1 hr by mobility shift assay
50018147	11	ChEMBL_2265385	Binding affinity to 5-HT1A receptor (unknown origin) by Tango assay
50018147	12	ChEMBL_2265386	Binding affinity to sigma 2 receptor (unknown origin)
50018147	13	ChEMBL_2265390	Binding affinity to sigma 1 receptor expressed in guinea pig brain
50018147	14	ChEMBL_2265391	Binding affinity to sigma 2 receptor expressed in rat liver
50018147	15	ChEMBL_2265392	Binding affinity to sigma 1 receptor (unknown origin) expressed in human RPMI-8226 cells
50018147	16	ChEMBL_2265393	Binding affinity to sigma 2 receptor (unknown origin) expressed in human RT-4 cells
50018147	17	ChEMBL_2265399	Displacement of [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membranes assessed as inhibition constant by radioligand binding assay
50018147	18	ChEMBL_2265400	Displacement of [3H]DTG from sigma 2 receptor expressed in rat liver membranes assessed as inhibition constant in presence of (+)-pentazocine by radioligand binding assay
50018147	19	ChEMBL_2265401	Inhibition of P-gp transporter (unknown origin) expressed in dog MDCK-MDR1 assessed as inhibition of fluorescent Calcein-AM transport by fluorescence based assay
50018147	20	ChEMBL_2265407	Displacement of [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membranes assessed as inhibition constant incubated for 150 mins by radioligand binding assay
50018147	21	ChEMBL_2265408	Displacement of [3H]DTG from sigma 2 receptor expressed in rat liver membranes assessed as inhibition constant incubated for 120 mins in presence of (+)-SKF10047 by radioligand binding assay
50018149	1	ChEMBL_2265416	Inhibition of MMP2 (unknown origin)
50018149	2	ChEMBL_2265417	Inhibition of human MMP2
50018149	3	ChEMBL_2265418	Inhibition of human recombinant MMP2 using chromogenic substrate (Ac-PLG-[2-mercapto-4-methyl-pentanoyl]-LG-OC2H5) incubated for 60 mins by colorimetric assay
50018150	1	ChEMBL_2265424	Antagonist activity against rat P2X7R expressed in human 1321N1 cell membrane incubated for 1 hrs by radioligand binding assay
50018150	2	ChEMBL_2265425	Antagonist activity against mouse P2X7R expressed in human 1321N1 cell membrane incubated for 1 hrs by radioligand binding assay
50018150	3	ChEMBL_2265426	Antagonist activity against human P2X7R expressed in human 1321N1 cell membrane incubated for 1 hrs by radioligand binding assay
50018152	1	ChEMBL_2265428	Inhibition of BACE1 (unknown origin) incubated for 90 mins by FRET based enzyme assay
50018152	2	ChEMBL_2265429	Inhibition of BACE1 (unknown origin)
50018152	3	ChEMBL_2265433	Inhibition of GSK3beta (unknown origin)
50018152	4	ChEMBL_2265436	Inhibition of BACE1 (unknown origin) by FRET assay
50018153	1	ChEMBL_2265443	Inhibition of His-6 tagged recombinant human ATAD2 (981 to 1108 residues) expressed in Escherichia coli BL21 (DE3) rosetta cells by HTRF assay
50041138	1	ChEBML_51189	Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 with the use of human placental microsomal preparation
50018154	1	ChEMBL_2265444	Inhibition of Heparanase-1 (unknown origin) by HTRF method
50018154	2	ChEMBL_2265446	Inhibition of human beta-glucuronidase
50018155	1	ChEMBL_2265471	Inhibition of alpha-glucosidase (unknown origin)
50041140	1	ChEBML_67848	Compound was tested for inhibition of porcine endometrial estrogen sulfotransferase
50001486	1	ChEMBL_1721573 (CHEMBL4136573)	Inhibition of tyrosinase (unknown origin) using L-dihydroxyphenylalanine as substrate preincubated for 30 mins followed by substrate addition measured for 7 mins by spectrophotometric analysis
50001497	1	ChEMBL_1721598 (CHEMBL4136598)	Inhibition of recombinant human His6-tagged USP25 expressed in baculovirus infected Sf21 insect cells using Ub-Rh110 as substrate pretreated for 30 mins followed by substrate addition measured after 45 mins by fluorescence assay
50001498	1	ChEMBL_1721599 (CHEMBL4136599)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins by stopped flow CO2 hydrase assay
50001498	2	ChEMBL_1721600 (CHEMBL4136600)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay
50001498	3	ChEMBL_1721601 (CHEMBL4136601)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins by stopped flow CO2 hydrase assay
50001498	4	ChEMBL_1721602 (CHEMBL4136602)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay
50001498	5	ChEMBL_1721603 (CHEMBL4136603)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay
50018157	1	ChEMBL_2265481	Inhibition of PKR (unknown origin)
50018157	2	ChEMBL_2265482	Inhibition of GST tagged human PKR incubated for 10 mins in presence of ATP by Kinase Glo luminescence assay
50018159	1	ChEMBL_2265485	Inhibition of CYP1A2 in human liver microsomes using 7-ethoxyresorufin as substrate
50018159	2	ChEMBL_2265486	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate
50018159	3	ChEMBL_2265487	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate
50018159	4	ChEMBL_2265488	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
50018159	5	ChEMBL_2265489	Inhibition of CYP3A4 in human liver microsomes using terfenedine as substrate
50018160	1	ChEMBL_2265570	Inhibition of HTT (unknown origin) by HTS assay
50018160	2	ChEMBL_2265571	Binding affinity to MBNL1 (unknown origin)
50018160	3	ChEMBL_2265572	Inhibition of mutant HTT (unknown origin) mediated HD exon 1 protein aggregation
50018160	4	ChEMBL_2265573	Inhibition of HTT (unknown origin)
50018160	5	ChEMBL_2265574	Inhibition of mutant HTT (unknown origin)
50018160	6	ChEMBL_2265576	Binding affinity to mutant HTT (unknown origin) mediated HD exon 1-72Q aggregation assessed as dissociation constant
50018160	7	ChEMBL_2265577	Binding affinity to LC3B (unknown origin) assessed as dissociation constant
50018160	8	ChEMBL_2265578	Inhibition of human wild type VCP (1 to 806 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr in presence of ATP by malachite green staining based analysis
50018160	9	ChEMBL_2265580	Inhibition of GPR52 (unknown origin)
50018160	10	ChEMBL_2265581	Inhibition of PDE10A (unknown origin)
50018160	11	ChEMBL_2265583	Inhibition of HDAC4 (unknown origin)
50018160	12	ChEMBL_2265585	Inhibition of SIRT2 (unknown origin)
50018160	13	ChEMBL_2265586	Inhibition of human recombinant SIRT2 using alpha-tubulin as substrate by coupled enzymatic analysis
50018160	14	ChEMBL_2265589	Binding affinity to SIGMAR1 (unknown origin)
50018160	15	ChEMBL_2265590	Inhibition of KEAP1 (unknown origin)
50018160	16	ChEMBL_2265591	Inhibition of HSP90alpha (unknown origin)
50018160	17	ChEMBL_2265592	Inhibition of HSP90beta (unknown origin)
50018160	18	ChEMBL_2265599	Inhibition of TrkB (unknown origin)
50018160	19	ChEMBL_2265600	Inhibition of KMO (unknown origin)
50002987	7	ChEBML_84708	Compound was evaluated for binding activity against [3H]pyrilamine as radioligand for Histamine H1 receptor
50001439	1	ChEMBL_1721605 (CHEMBL4136605)	Inhibition of Mycobacterium tuberculosis PknB (M1 to G279 residues) expressed in Escherichia coli BL21 (DE3) cells using [T-33P]ATP as substrate after 50 mins in presence of GarA by liquid scintillation method
50001439	2	ChEMBL_1721604 (CHEMBL4136604)	Inhibition of Mycobacterium tuberculosis PknA (M1 to A296 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells using [T-33P]ATP as substrate after 120 mins in presence of GarA by liquid scintillation method
50001439	3	ChEMBL_1721608 (CHEMBL4136608)	Inhibition of recombinant CDK2/cyclin A (unknown origin) using MAHHRSPRKRAKKK as substrate by pyruvate kinase-lactate dehydrogenase coupled assay
50018160	20	ChEMBL_2265603	Inhibition of TG2 (unknown origin)
50018160	21	ChEMBL_2265604	Binding affinity to ATM (unknown origin)
50001439	4	ChEMBL_1721609 (CHEMBL4136609)	Inhibition of recombinant SRC (unknown origin) using polyE4Y as substrate by pyruvate kinase-lactate dehydrogenase coupled assay
50018160	22	ChEMBL_2265605	Inhibition of ATM (unknown origin)
50018160	23	ChEMBL_2265606	Binding affinity to Vps34 (unknown origin)
50018160	24	ChEMBL_2265609	Inhibition of p38alpha (unknown origin)
50001439	5	ChEMBL_1721607 (CHEMBL4136607)	Inhibition of recombinant GSK3beta (unknown origin) using HSSPHQ(Sp)EDEEE as substrate by pyruvate kinase-lactate dehydrogenase coupled assay
50018160	25	ChEMBL_2265610	Inhibition of JNK3 (unknown origin)
50001442	1	ChEBML_1721616	Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for 15 min followed by L-cystathionine and CPM addition and measured after 7 mins by fluorescence-based primary assay
50041149	1	ChEBML_60808	Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone
50001442	2	ChEMBL_1721611 (CHEMBL4136611)	Inhibition of cystathionine gamma-lyase (unknown origin)
50018161	1	ChEMBL_2265612	Inhibition of bovine brain PI3Kalpha in presence of [p32-gamma]-ATP measured after 10 mins by liquid scintillation spectroscopy
50018161	2	ChEMBL_2265615	Inhibition of human PI3Kalpha in presence of [p32-gamma]-ATP measured after 2 hrs by hotspot assay
50018161	3	ChEMBL_2265616	Inhibition of human PI3Kbeta in presence of [p32-gamma]-ATP measured after 2 hrs by hotspot assay
50018161	4	ChEMBL_2265617	Inhibition of human PI3Kdelta in presence of [p32-gamma]-ATP measured after 2 hrs by hotspot assay
50018161	5	ChEMBL_2265618	Inhibition of human PI3Kgamma in presence of [p32-gamma]-ATP measured after 2 hrs by hotspot assay
50018161	6	ChEMBL_2265627	Inhibition of PI3Kalpha (unknown origin)
50018161	7	ChEMBL_2265628	Inhibition of mTOR (unknown origin)
50018161	8	ChEMBL_2265630	Inhibition of AKT1 (unknown origin) using Ser/Thr06 peptide substrate measured after 1 hr by FRET based Z-LYTE kinase assay
50018161	9	ChEMBL_2265631	Inhibition of AKT2 (unknown origin) using Ser/Thr06 peptide substrate measured after 1 hr by FRET based Z-LYTE kinase assay
50018161	10	ChEMBL_2265632	Inhibition of AKT3 (unknown origin) using Ser/Thr06 peptide substrate measured after 1 hr by FRET based Z-LYTE kinase assay
50018161	11	ChEMBL_2265640	Inhibition of mouse PI3Kalpha expressed in insect cells assessed as fluorescence polarization incubated for 30 mins by ATP competitive assay
50018161	12	ChEMBL_2265641	Inhibition of mouse PI3Kbeta expressed in insect cells assessed as fluorescence polarization incubated for 30 mins by ATP competitive assay
50018161	13	ChEMBL_2265642	Inhibition of mouse PI3Kdelta expressed in insect cells assessed as fluorescence polarization incubated for 30 mins by ATP competitive assay
50018161	14	ChEMBL_2265643	Inhibition of mouse PI3Kgamma expressed in insect cells assessed as fluorescence polarization incubated for 30 mins by ATP competitive assay
50018161	15	ChEMBL_2265644	Inhibition of human PI3Kalpha by ADP-Glo luminescent kinase assay
50018161	16	ChEMBL_2265645	Inhibition of human PI3Kbeta by ADP-Glo luminescent kinase assay
50018161	17	ChEMBL_2265646	Inhibition of human PI3Kdelta by ADP-Glo luminescent kinase assay
50018161	18	ChEMBL_2265647	Inhibition of human HDAC1 by fluorogenic assay
50001442	3	ChEMBL_1721616 (CHEMBL4136616)	Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for 15 min followed by L-cystathionine and CPM addition and measured after 7 mins by fluorescence-based primary assay
50018161	19	ChEMBL_2265648	Inhibition of human HDAC2 by fluorogenic assay
50018161	20	ChEMBL_2265649	Inhibition of human HDAC6 by fluorogenic assay
50018161	21	ChEMBL_2265650	Inhibition of human HDAC10 by fluorogenic assay
50018161	22	ChEMBL_2265651	Inhibition of human HDAC11 by fluorogenic assay
50018161	23	ChEMBL_2265653	Inhibition of Hsp90 (unknown origin)
50018161	24	ChEMBL_2265654	Inhibition of PI3Kgamma (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay
50018161	25	ChEMBL_2265655	Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay
50018161	26	ChEMBL_2265656	Inhibition of PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay
50018161	27	ChEMBL_2265657	Inhibition of PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate by scintillation proximity assay
50018161	28	ChEMBL_2265658	Inhibition of AKT1 (unknown origin)
50018161	29	ChEMBL_2265659	Inhibition of AKT2 (unknown origin)
50018161	30	ChEMBL_2265660	Inhibition of AKT3 (unknown origin)
50018161	31	ChEMBL_2265661	Inhibition of human full length his-tagged AKT1 expressed in baculovirus infected Sf21 insect cells
50018161	32	ChEMBL_2265662	Inhibition of human his-tagged AKT2 (residues 120 to 481) expressed in baculovirus infected Sf21 insect cells
50018161	33	ChEMBL_2265663	Inhibition of human his-tagged AKT3 (residues 117 to end) expressed in baculovirus infected Sf21 insect cells
50018161	34	ChEMBL_2265666	Inhibition of N-His-tagged recombinant PI3Kalpha (unknown origin) using Alexa Fluor-Kinase Tracer 315 by TR-FRET assay
50018161	35	ChEMBL_2265667	Inhibition of PI3Kalpha H1047R mutant in human SK-OV-3 cells assessed as protein phosphorylation incubated for 2 hrs by fluorescence assay
50018161	36	ChEMBL_2265668	Inhibition of PIK3delta (unknown origin) assessed as fluorescence intensity using PIP2 as substrate by jump dilution assay
50018161	37	ChEMBL_2265677	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate by TR-FRET assay
50018161	38	ChEMBL_2265678	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by TR-FRET assay
50018161	39	ChEMBL_2265679	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate by TR-FRET assay
50018161	40	ChEMBL_2265680	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate by TR-FRET assay
50018161	41	ChEMBL_2265681	Inhibition of AKT1 (unknown origin) using Sox-AKT-tide as substrate by continuous real time fluorescence detection based [gamma33P]ATP assay
50018161	42	ChEMBL_2265682	Inhibition of AKT2 (unknown origin) using Sox-AKT-tide as substrate by continuous real time fluorescence detection based [gamma33P]ATP assay
50018161	43	ChEMBL_2265683	Inhibition of AKT3 (unknown origin) using Sox-AKT-tide as substrate by continuous real time fluorescence detection based [gamma33P]ATP assay
50018161	44	ChEMBL_2265684	Inhibition of full-length His-tagged PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol
50018161	45	ChEMBL_2265685	Inhibition of full-length His-tagged PI3Kbeta (unknown origin) using L-alpha-phosphatidylinositol
50018161	46	ChEMBL_2265686	Inhibition of full-length His-tagged PI3Kdelta (unknown origin) (unknown origin) using L-alpha-phosphatidylinositol
50018161	47	ChEMBL_2265687	Inhibition of full-length His-tagged PI3Kgamma (unknown origin) using L-alpha-phosphatidylinositol
50018161	48	ChEMBL_2265688	Inhibition of full-length His-tagged mTOR (unknown origin) using L-alpha-phosphatidylinositol
50018161	49	ChEMBL_2265689	Inhibition of human PI3Kalpha incubated for 30 mins by ATP competition based fluorescence polarization assay
50018161	50	ChEMBL_2265690	Inhibition of human PI3Kbeta incubated for 30 mins by ATP competition based fluorescence polarization assay
50018161	51	ChEMBL_2265691	Inhibition of human PI3Kdelta incubated for 30 mins by ATP competition based fluorescence polarization assay
50001447	1	ChEMBL_1721618 (CHEMBL4136618)	Inhibition of ATG13 binding to full-length ULK1 (unknown origin) expressed in HEK293T cells preincubated for 15 mins followed by human C-terminal FLAG-tagged ATG13 addition measured after 30 mins by Alphascreen assay
50001448	1	ChEMBL_1721630 (CHEMBL4136630)	Inhibition of recombinant human His-tagged FGFR2 cytoplasmic domain (403 to 822 residues) expressed in baculovirus expression system using Tyr 04 as substrate measured after 1 hr by Z'-LYTE assay
50001448	2	ChEMBL_1721631 (CHEMBL4136631)	Inhibition of recombinant human His-tagged FGFR3 cytoplasmic domain (399 to 806 residues) expressed in baculovirus expression system using Tyr 04 as substrate measured after 1 hr by Z'-LYTE assay
50001448	3	ChEMBL_1721635 (CHEMBL4136635)	Inhibition of FGFR3 (unknown origin)
50001448	4	ChEMBL_1721628 (CHEMBL4136628)	Inhibition of recombinant human His-tagged FGFR1 cytoplasmic domain (308 to 731 residues) expressed in baculovirus expression system using Tyr 04 as substrate measured after 1 hr by Z'-LYTE assay
50001448	5	ChEMBL_1721634 (CHEMBL4136634)	Inhibition of FGFR2 (unknown origin)
50001448	6	ChEMBL_1721633 (CHEMBL4136633)	Inhibition of FGFR1 (unknown origin)
50001454	1	ChEMBL_1721666 (CHEMBL4136666)	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate incubated for 30 mins followed by substrate addition measured for 175 secs
50018161	52	ChEMBL_2265692	Inhibition of human PI3Kgamma incubated for 30 mins by ATP competition based fluorescence polarization assay
50018161	53	ChEMBL_2265693	Inhibition of human mTOR incubated for 30 mins by ATP competition based fluorescence polarization assay
50018162	1	ChEMBL_2265694	Inhibition of TRAP1 (unknown origin)
50018162	2	ChEMBL_2265696	Inhibition of Hsp90 (unknown origin)
50018162	3	ChEMBL_2265697	Inhibition of TRAP1 NTD (unknown origin) by fluorescence polarization assay
50018167	1	ChEMBL_2265709	Binding affinity to recombinant HSP90alpha (unknown origin) assessed as dissociation constant incubated for 30 mins by intrinsic fluorescence based spectroscopic analysis
50018167	2	ChEMBL_2265710	Binding affinity to recombinant HSP90beta (unknown origin) assessed as dissociation constant incubated for 30 mins by intrinsic fluorescence based spectroscopic analysis
50001454	2	ChEMBL_1721668 (CHEMBL4136668)	Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate incubated for 20 mins by fluorescence polarization method
50018167	3	ChEMBL_2265717	Binding affinity to NT-647 labelled recombinant HSP90 (unknown origin) C-terminal domain assessed as dissociation constant by microscale thermophoresis analysis
50018167	4	ChEMBL_2265718	Binding affinity to human recombinant HSP90alpha C-terminal domain (563 to 732 residues) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant incubated for 15 mins by microscale thermophoresis analysis
50018167	5	ChEMBL_2265720	Binding affinity to human HSP90alpha assessed as dissociation constant
50018167	6	ChEMBL_2265721	Binding affinity to human HSP90beta assessed as dissociation constant
50018167	7	ChEMBL_2265726	Inhibition of recombinant GST-tagged HSP90alpha NTD (9 to 236 residues) (unknown origin) ATPase activity expressed in Escherichia coli BL21 (DE3)
50018167	8	ChEMBL_2265727	Binding affinity to recombinant human HSP90alpha assessed as dissociation constant measured for 300 secs by SPR analysis
50018172	1	ChEMBL_2265774	Inhibition of human wild type FLT3 using TK peptide as substrate incubated for 1 hr in presence of ATP by HTRF assay
50001462	1	ChEMBL_1721669 (CHEMBL4136669)	Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by mass spectrometric method
50001464	1	ChEMBL_1721673 (CHEMBL4136673)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped flow CO2 hydrase assay
50001464	2	ChEMBL_1721674 (CHEMBL4136674)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay
50001464	3	ChEMBL_1721675 (CHEMBL4136675)	Inhibition of human carbonic anhydrase 4 incubated for 15 mins by stopped flow CO2 hydrase assay
50018172	2	ChEMBL_2265775	Inhibition of human FLT3 D835Y mutant using TK peptide as substrate incubated for 1 hr in presence of ATP by HTRF assay
50018173	1	ChEMBL_2265803	Inhibition of human recombinant HDAC6 using fluorogenic substrate measured after 30 mins
50001464	4	ChEMBL_1721676 (CHEMBL4136676)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay
50041158	1	ChEBML_197202	Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase
50018173	2	ChEMBL_2265804	Inhibition of human recombinant HDAC1 using fluorogenic substrate measured after 30 mins
50018173	3	ChEMBL_2265806	Inhibition of human recombinant HDAC2 using fluorogenic substrate measured after 30 mins
50018173	4	ChEMBL_2265807	Inhibition of human recombinant HDAC4 using fluorogenic substrate measured after 30 mins
50018173	5	ChEMBL_2265808	Inhibition of human recombinant HDAC8 using fluorogenic substrate measured after 30 mins
50001465	1	ChEMBL_1721686 (CHEMBL4136686)	Negative allosteric modulation of rat mGlu7 expressed in HEK cells co-expressing Galpha15 assessed as reduction in L-AP4-induced intracellular calcium flux pretreated for 142 secs followed by glutamate addition and subsequent stimulation of L-AP4 for 40 secs by Fluo-4 AM dye based fluorescence assay
50001465	2	ChEMBL_1721722 (CHEMBL4136722)	Agonist activity at rat mGlu8 expressed in HEK cells co-expressing Galpha15 measured after 142 secs by Fluo-4 AM dye based calcium flux assay
50001465	3	ChEMBL_1721728 (CHEMBL4136728)	Antagonist activity at mGlu6 receptor (unknown origin)
50001465	4	ChEMBL_1721727 (CHEMBL4136727)	Antagonist activity at mGlu5 receptor (unknown origin)
50001465	5	ChEMBL_1721723 (CHEMBL4136723)	Antagonist activity at mGlu1 receptor (unknown origin)
50001465	6	ChEMBL_1721719 (CHEMBL4136719)	Agonist activity at human mGlu4 expressed in CHO cells co-expressing Gqi5 after 142 secs by Fluo-4AM dye based calcium flux assay
50001465	7	ChEMBL_1721729 (CHEMBL4136729)	Antagonist activity at rat mGlu8 expressed in HEK cells co-expressing Galpha15 assessed as reduction in L-AP4-induced intracellular calcium flux pretreated for 142 secs followed by glutamate addition and subsequent stimulation of L-AP4 for 40 secs by Fluo-4 AM dye based fluorescence assay
50001465	8	ChEMBL_1721726 (CHEMBL4136726)	Antagonist activity at human mGlu4 expressed in CHO cells co-expressing Gqi5 assessed as reduction in L-AP4-induced intracellular calcium flux pretreated for 142 secs followed by glutamate addition and subsequent stimulation of L-AP4 for 40 secs by Fluo-4 AM dye based fluorescence assay
50001465	9	ChEMBL_1721725 (CHEMBL4136725)	Antagonist activity at mGlu3 receptor (unknown origin)
50001465	10	ChEMBL_1721721 (CHEMBL4136721)	Agonist activity at mGlu6 receptor (unknown origin)
50001465	11	ChEMBL_1721720 (CHEMBL4136720)	Agonist activity at mGlu5 receptor (unknown origin)
50001465	12	ChEMBL_1721718 (CHEMBL4136718)	Agonist activity at mGlu3 receptor (unknown origin)
50001465	13	ChEMBL_1721717 (CHEMBL4136717)	Agonist activity at mGlu2 receptor (unknown origin)
50001465	14	ChEMBL_1721724 (CHEMBL4136724)	Antagonist activity at mGlu2 receptor (unknown origin)
50035752	4	ChEMBL_138129 (CHEMBL747251)	Pseudo hill coefficient at Muscarinic acetylcholine receptor M1
50001465	15	ChEMBL_1721716 (CHEMBL4136716)	Agonist activity at mGlu1 receptor (unknown origin)
50001480	1	ChEMBL_1721834 (CHEMBL4136834)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate pretreated for 5 mins followed by substrate addition measured over 30 mins by spectrophotometric method
50001480	2	ChEMBL_1721836 (CHEMBL4136836)	Inhibition of mushroom tyrosinase using L-DOPA as substrate measured at 1 min interval by spectrophotometric method
50001480	3	ChEMBL_1721837 (CHEMBL4136837)	Inhibition of mushroom tyrosinase
50041161	2	ChEBML_154852	Binding affinity to sigma site of Phencyclidine receptor by displacement of [3H]-(+)-SKF- 10,047
50041162	1	ChEBML_209789	Compound was tested for inhibition of human (WI-L2) thymidylate synthase
50001500	1	ChEMBL_1721958 (CHEMBL4136958)	Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive binding assay
50018173	6	ChEMBL_2265809	Inhibition of human recombinant HDAC11 using fluorogenic substrate measured after 30 mins
50018174	1	ChEMBL_2265830	Inhibition of CYP2C19 in human liver microsomes
50018174	2	ChEMBL_2265831	Inhibition of CYP2C9 in human liver microsomes
50018174	3	ChEMBL_2265832	Inhibition of CYP2C8 in human liver microsomes
50018176	1	ChEMBL_2265834	Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 microsomal preparation using PGH2 as substrate assessed as inhibition of PGE2 synthesis preincubated for 15 mins followed by substrate addition and measured after 1 min by RP-HPLC analysis
50018176	2	ChEMBL_2265838	Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by RP-HPLC analysis
50018179	1	ChEMBL_2265879	Inhibition of KIT (unknown origin) in presence of ATP
50018179	2	ChEMBL_2265880	Inhibition of FLT3 (unknown origin) in presence of ATP
50001449	1	ChEMBL_1721963 (CHEMBL4136963)	Inhibition of recombinant human GST-tagged EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine nucleotide exchange activity using BODIPY-labeled GDP loaded Rap1A by fluorescence assay
50001449	2	ChEMBL_1721964 (CHEMBL4136964)	Inhibition of recombinant human GST-tagged EPAC2 expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in guanine nucleotide exchange activity using BODIPY-labeled GDP loaded Rap1A by fluorescence assay
50018179	3	ChEMBL_2265881	Inhibition of TrkA (unknown origin) in presence of ATP
50001453	1	ChEMBL_1721972 (CHEMBL4136972)	Agonist activity at RORgammat in human Jurkat cells ssessed as increase in IL17A production incubated for overnight by luciferase reporter gene Assay
50018179	4	ChEMBL_2265882	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS analysis
50001453	2	ChEMBL_1721966 (CHEMBL4136966)	Agonist activity at 6xHis tagged human RORgammat LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as biotinylated SRC1-2 peptide coactivator recruitment by AlphaScreen assay
50001453	3	ChEMBL_1721968 (CHEMBL4136968)	Agonist activity at His tagged RORgammat LBD (unknown origin) expressed in baculovirus infected sf9 cells assessed as biotinylated-LXXLL peptide coactivator recruitment incubated for overnight by TR-FRET Assay
50001453	4	ChEMBL_1721967 (CHEMBL4136967)	Agonist activity at Gal4-fused RORgammat DNA binding domain (unknown origin) expressed in 293T cells assessed as SRC1 coactivator recruitment in presence of ursolic acid by TR-FRET assay
50001453	5	ChEMBL_1721969 (CHEMBL4136969)	Agonist activity at Gal4-fused DBD RORgammat LBD (unknown origin) expressed in HEK293 cells assessed as coactivator recruitment incubated for overnight in presence of ursolic acid by luciferase reporter gene Assay
50001470	1	ChEMBL_1722000 (CHEMBL4137000)	Inhibition of Influenza A virus A/Aichi/2/68 (H3N2) HA2-mediated hemolysis preincubated with virus for 30 mins followed by chicken red blood cells addition measured after 30 mins by spectrophotometric analysis
50001471	1	ChEMBL_1722005 (CHEMBL4137005)	Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP derived polypeptide harboring Lys-Met/Asn-Leu mutation as substrate by FRET assay
50001471	2	ChEMBL_1722008 (CHEMBL4137008)	Inhibition of BACE1 in human SKNBE2 cells transfected with APP695 protein assessed as reduction in amyloid beta (1 to 42) levels after 18 hrs by sandwich alphalisa assay
50001471	3	ChEMBL_1722033 (CHEMBL4137033)	Reversible inhibition of recombinant human CYP2C9 by fluorescence-based assay
50001471	4	ChEMBL_1722009 (CHEMBL4137009)	Inhibition of human ERG expressed in HEK293 cell membranes by radioligand binding assay
50018179	5	ChEMBL_2265884	Binding affinity to recombinant human HPK1 (1 to 346 residues) expressed sf9 cells incubated for 1 hr by LanthaScreen assay
50018179	6	ChEMBL_2265885	Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphorylation incubated for 1 hr by HTRF assay
50018179	7	ChEMBL_2265888	Inhibition of human HPK1 in human whole blood assessed as reduction in SLP76 phosphorylation incubated for 1 hr by HTRF assay
50018179	8	ChEMBL_2265889	Inhibition of CYP1A2 in human liver microsomes using 7- ethoxyresorufin as substrate by LC-MS analysis
50018179	9	ChEMBL_2265890	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate by LC-MS analysis
50018179	10	ChEMBL_2265891	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS analysis
50018179	11	ChEMBL_2265892	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS analysis
50018179	12	ChEMBL_2265893	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate by LC-MS analysis
50018179	13	ChEMBL_2265894	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS analysis
50018179	14	ChEMBL_2265896	Inhibition of CYP2C19 in human liver microsomes using S mephenytoin as substrate by LC-MS analysis
50018180	1	ChEMBL_2265897	Inhibition of His-tagged human recombinant ME3 (26 to 604 residues) using L-malate and beta-NADP+ as substrate preincubated with enzyme for 5 mins followed by beta-NADP+ challenge and incubated under shaking for 5 mins followed by incubation for 3 hrs without shaking by resorufin dye based fluorescence analysis
50018180	2	ChEMBL_2265898	Inhibition of His-tagged human recombinant full length ME2 using L-malate and beta-NAD+ as substrate preincubated with enzyme for 5 mins followed by beta-NAD+ challenge and incubated under shaking for 5 mins followed by incubation for 2 hrs without shaking by resorufin dye based fluorescence analysis
50018180	3	ChEMBL_2265899	Inhibition of His-tagged human recombinant full length ME1 using L-malate and beta-NADP+ as substrate preincubated with enzyme for 5 mins followed by beta-NADP+ challenge and incubated under shaking for 5 mins followed by incubation for 2 hrs without shaking by resorufin dye based fluorescence analysis
50001471	5	ChEMBL_1722031 (CHEMBL4137031)	Reversible inhibition of recombinant human CYP1A2 by fluorescence-based assay
50001471	6	ChEMBL_1722034 (CHEMBL4137034)	Reversible inhibition of recombinant human CYP2C19 by fluorescence-based assay
50001471	7	ChEMBL_1722035 (CHEMBL4137035)	Reversible inhibition of recombinant human CYP3A4 by fluorescence-based assay
50001471	8	ChEMBL_1722032 (CHEMBL4137032)	Reversible inhibition of recombinant human CYP2C8 by fluorescence-based assay
50001472	1	ChEMBL_1722131 (CHEMBL4137131)	Binding affinity to human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residues) expressed in BL21-RIL Escherichia coli assessed as SOS1-RAS complex formation by measuring exchange of GTP to BODIPY-GDP measured every 3 secs for 30 mins by fluorescence polarization assay
50001778	2	ChEBML_141590	Inhibition of deacetylation of [acetyl-3H]-N8-Acetylspermidine deacetylase in rat liver
50001473	1	ChEMBL_1722136 (CHEMBL4137136)	Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting
50001473	2	ChEMBL_1722135 (CHEMBL4137135)	Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation counting
50001473	3	ChEMBL_1722134 (CHEMBL4137134)	Displacement of [3H]PDBu from full length recombinant human PKCalpha expressed in baculovirus expression system after 5 mins by scintillation counting
50001473	4	ChEMBL_1722147 (CHEMBL4137147)	Activation of PKCdelta (unknown origin) expressed in human LNCAP cells harboring GFP-tagged RasGRP1 assessed as phosphorylation at ser299 residues after 30 mins by immunoblot method
50001473	5	ChEMBL_1722141 (CHEMBL4137141)	Activation of GFP-tagged RasGRP3 (unknown origin) expressed in HEK293 cells after 30 mins by immunoblot method
50001473	6	ChEMBL_1722140 (CHEMBL4137140)	Activation of GFP-tagged RasGRP1 (unknown origin) expressed in HEK293 cells after 30 mins by immunoblot method
50001473	7	ChEMBL_1722144 (CHEMBL4137144)	Activation of RasGRP3 in human Ramos cells after 30 mins by immunoblot method
50001473	8	ChEMBL_1722150 (CHEMBL4137150)	Activation of GFP-tagged RasGRP1 (unknown origin) expressed in HEK293 cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method
50001473	9	ChEMBL_1722154 (CHEMBL4137154)	Activation of RasGRP3 in human Ramos cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method
50001473	10	ChEMBL_1722148 (CHEMBL4137148)	Activation of PKCdelta (unknown origin) expressed in human LNCAP cells harboring GFP-tagged RasGRP3 assessed as phosphorylation at ser299 residues after 30 mins by immunoblot method
50001473	11	ChEMBL_1722142 (CHEMBL4137142)	Activation of GFP-tagged RasGRP1 (unknown origin) expressed in human LNCAP cells after 30 mins by immunoblot method
50001473	12	ChEMBL_1722143 (CHEMBL4137143)	Activation of GFP-tagged RasGRP3 (unknown origin) expressed in human LNCAP cells after 30 mins by immunoblot method
50001473	13	ChEMBL_1722146 (CHEMBL4137146)	Activation of PKCdelta (unknown origin) expressed in HEK293 cells harboring GFP-tagged RasGRP3 assessed as phosphorylation at ser299 residues after 30 mins by immunoblot method
50001473	14	ChEMBL_1722149 (CHEMBL4137149)	Activation of PKCdelta in human Ramos cells expressing RasGRP3 assessed as phosphorylation at ser299 residues after 30 mins by immunoblot method
50001473	15	ChEMBL_1722151 (CHEMBL4137151)	Activation of GFP-tagged RasGRP3 (unknown origin) expressed in HEK293 cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method
50001473	16	ChEMBL_1722152 (CHEMBL4137152)	Activation of GFP-tagged RasGRP1 (unknown origin) expressed in human LNCAP cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method
50001473	17	ChEMBL_1722153 (CHEMBL4137153)	Activation of GFP-tagged RasGRP3 (unknown origin) expressed in human LNCAP cells assessed as ERK1/2 phosphorylation after 30 mins by immunoblot method
50001473	18	ChEMBL_1722145 (CHEMBL4137145)	Activation of PKCdelta (unknown origin) expressed in HEK293 cells harboring GFP-tagged RasGRP1 assessed as phosphorylation at ser299 residues after 30 mins by immunoblot method
50018182	1	ChEMBL_2265916	Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as inhibition of NKH477-induced intracellular cAMP accumulation incubated for 20 mins by HTRF assay
50041172	2	ChEMBL_54558 (CHEMBL664873)	Apparent binding affinity of compound in Escherichia coli DHFR
50041172	6	ChEMBL_54557 (CHEMBL857513)	Apparent binding affinity against Dihydrofolate reductase in Escherichia coli
50018182	2	ChEMBL_2265919	Agonist activity at human SST4 receptor expressed in CHO-K1 cells assessed as inhibition of NKH477-induced intracellular cAMP accumulation incubated for 20 mins by HTRF assay
50001477	1	ChEMBL_1722250 (CHEMBL4137250)	Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay
50001477	2	ChEMBL_1722251 (CHEMBL4137251)	Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis
50001477	3	ChEMBL_1722254 (CHEMBL4137254)	Inhibition of human ERG expressed in CHO cells
50001477	4	ChEMBL_1722265 (CHEMBL4137265)	Inhibition of CYP1A2 (unknown origin)
50001477	6	ChEMBL_1722267 (CHEMBL4137267)	Inhibition of CYP2C19 (unknown origin)
50001477	7	ChEMBL_1722264 (CHEMBL4137264)	Inhibition of CYP2D6 (unknown origin)
50018182	3	ChEMBL_2265951	Agonist activity at rat SST2 receptor
50018182	4	ChEMBL_2265952	Agonist activity at dog SST2 receptor
50018183	1	ChEMBL_2265979	Antagonist activity at beta-galactosidase fused human GPR55 expressed in CHO cells assessed as inhibition of LPI-induced receptor activation by measuring beta-arrestin 2 recruitment incubated for 90 mins by PathHunter chemiluminescence based assay
50018183	2	ChEMBL_2265981	Antagonist activity at human GPR55 expressed in human U2OS cells assessed as inhibition of LPI-induced receptor activation by measuring beta-arrestin 2 recruitment preincubated for 30 mins followed by LPI addition and measured after 75 mins by microplate reader analysis
50018183	3	ChEMBL_2265982	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 90 mins by liquid scintillation spectrometry analysis
50018183	4	ChEMBL_2265983	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 90 mins by liquid scintillation spectrometry analysis
50001864	1	ChEBML_209432	In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, Thromboxane A2 receptor by 50%
50001477	8	ChEMBL_1722281 (CHEMBL4137281)	Agonist activity at mu1-opioid receptor (unknown origin)
50001477	9	ChEMBL_1722263 (CHEMBL4137263)	Inhibition of CYP3A4 (unknown origin)
50041174	1	ChEBML_59425	Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally
50000847	3	ChEBML_83827	Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.
50001477	10	ChEMBL_1722266 (CHEMBL4137266)	Inhibition of CYP2C9 (unknown origin)
50000847	5	ChEMBL_83827 (CHEMBL691844)	Evaluated for antagonist activity against histamine H3 receptor and is represented as -log Ki.
50018183	5	ChEMBL_2265984	Inverse agonist activity at human GPR55 expressed in HEK293 cells coexpressing serum response element assessed as reduction in MAPK/ERK signalling pathway by measuring SRE response incubated for 5 hrs in serum-free medium by luciferin based bioluminescence analysis
50018183	6	ChEMBL_2265985	Antagonist activity at human GPR55 expressed in HEK293 cells coexpressing serum response element assessed as inhibition of LPI-induced MAPK/ERK signalling pathway by measuring SRE response incubated for 5 hrs in serum-free medium by luciferin based bioluminescence analysis
50018183	7	ChEMBL_2265987	Antagonist activity at GPR55 (unknown origin) by beta-arrestin recruitment assay
50018184	1	ChEMBL_2265998	Inhibition of human KGA using glutamine as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 4 hrs by EZMTT reagent based assay
50018184	2	ChEMBL_2266005	Binding affinity to wild type human KGA assessed as covalent bond formation by measuring dissociation constant by biomolecular interaction assay
50018185	1	ChEMBL_2266009	Inhibition of MNK1 (unknown origin) incubated for 60 mins using CREB as substrate in presence of ATP by LANCE Ultra kinase assay
50018185	2	ChEMBL_2266010	Inhibition of MNK2 (unknown origin) incubated for 60 mins using CREB as substrate in presence of ATP by LANCE Ultra kinase assay
50018194	1	ChEMBL_2266077	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant by stopped-flow CO2 hydration assay
50018195	1	ChEMBL_2266080	Inhibition of HPK1 in human Jurkat cells assessed as inhibition constant incubated for 1 hr by HTRF assay
50001478	1	ChEMBL_1722311 (CHEMBL4137311)	Inhibition of CYP2C19 (unknown origin)
50001478	2	ChEMBL_1722310 (CHEMBL4137310)	Inhibition of CYP1A2 (unknown origin)
50001478	3	ChEMBL_1722333 (CHEMBL4137333)	Inhibition of [3H]BMS-488043 binding to HIV-1 JRFL gp120 after 1 hr by scintillation counting method
50001478	4	ChEMBL_1722313 (CHEMBL4137313)	Inhibition of CYP2D6 (unknown origin)
50001478	5	ChEMBL_1722312 (CHEMBL4137312)	Inhibition of CYP2C9 (unknown origin)
50001478	6	ChEMBL_1722307 (CHEMBL4137307)	Inhibition of CYP3A4 (unknown origin)
50001479	1	ChEMBL_1722355 (CHEMBL4137355)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001479	2	ChEMBL_1722356 (CHEMBL4137356)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated cells with photoirradiated compound for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting method
50001479	3	ChEMBL_1722362 (CHEMBL4137362)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001479	4	ChEMBL_1722354 (CHEMBL4137354)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake
50001479	5	ChEMBL_1722353 (CHEMBL4137353)	Inhibition of mouse GAT1 assessed as reduction in GABA uptake
50001479	6	ChEMBL_1722363 (CHEMBL4137363)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001479	7	ChEMBL_1722361 (CHEMBL4137361)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition measured after 4 mins by liquid scintillation counting analysis
50001479	8	ChEMBL_1722368 (CHEMBL4137368)	Inhibition of mouse GAT1 assessed as reduction in GABA uptake using photoirradiated compound
50001481	1	ChEMBL_1722372 (CHEMBL4137372)	Displacement of [3H]-1,25D3 from C-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli BL21 (DE3) after 16 hrs by radioligand binding assay
50001475	1	ChEMBL_1722384 (CHEMBL4137384)	Inhibition of recombinant N-terminal GST-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) assessed as inhibition of DCIP reduction using dihydroorotate as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins
50001483	1	ChEMBL_1722421 (CHEMBL4137421)	Binding affinity to human HSC70 after 2 hrs by fluorescence shift assay
50001483	2	ChEMBL_1722422 (CHEMBL4137422)	Binding affinity to human HSC70 Y149A mutant after 2 hrs by fluorescence shift assay
50001483	3	ChEMBL_1722424 (CHEMBL4137424)	Binding affinity to human HSC70 T222A mutant after 2 hrs by fluorescence shift assay
50001483	4	ChEMBL_1722426 (CHEMBL4137426)	Binding affinity to human HSC70 L228A mutant after 2 hrs by fluorescence shift assay
50001483	5	ChEMBL_1722425 (CHEMBL4137425)	Binding affinity to human HSC70 H227A mutant after 2 hrs by fluorescence shift assay
50001483	6	ChEMBL_1722423 (CHEMBL4137423)	Binding affinity to human HSC70 Y149W mutant after 2 hrs by fluorescence shift assay
50001484	1	ChEMBL_1722466 (CHEMBL4137466)	Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay
50001484	2	ChEMBL_1722467 (CHEMBL4137467)	Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay
50001484	3	ChEMBL_1722482 (CHEMBL4137482)	Competitive inhibition of human G9a using 40 to 2560 nM biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay
50001484	4	ChEMBL_1722485 (CHEMBL4137485)	Non-competitive inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of 1 to 20 uM SAM by TR-FRET assay
50001484	5	ChEMBL_1722519 (CHEMBL4137519)	Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate by radioactive methyl transfer assay
50001484	6	ChEMBL_1722484 (CHEMBL4137484)	Non-competitive inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of 2 to 640 uM SAM by TR-FRET assay
50001484	7	ChEMBL_1722477 (CHEMBL4137477)	Inhibition of recombinant human GLP using histone H3 peptide as substrate after 120 mins in presence of [3H]SAM by radiometric assay
50001484	8	ChEMBL_1722518 (CHEMBL4137518)	Inhibition of DNMT1 (unknown origin) by radioactive methyl transfer assay
50001484	9	ChEMBL_1722521 (CHEMBL4137521)	Inhibition of G9a (unknown origin)
50001484	10	ChEMBL_1722516 (CHEMBL4137516)	Inhibition of G9a (unknown origin) by mas spectrometric method
50001484	11	ChEMBL_1722520 (CHEMBL4137520)	Inhibition of human DNMT1 using hemimethylated DNA as substrate by radioactive methyl transfer assay
50001485	1	ChEMBL_1722526 (CHEMBL4137526)	Inhibition of radioligand binding to human ERG expressed in HEK293 cell membranes by scintillation counting method
50001485	2	ChEMBL_1722530 (CHEMBL4137530)	Inhibition of 5-HT2A receptor (unknown origin)
50001485	3	ChEMBL_1722531 (CHEMBL4137531)	Inhibition of CYP2D6 (unknown origin)
50001485	4	ChEMBL_1722529 (CHEMBL4137529)	Inhibition of dopamine D1 receptor (unknown origin)
50001485	5	ChEMBL_1722528 (CHEMBL4137528)	Inhibition of adenosine A1 receptor (unknown origin)
50001487	1	ChEMBL_1722783 (CHEMBL4137783)	Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50001487	2	ChEMBL_1722785 (CHEMBL4137785)	Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method
50001487	3	ChEMBL_1722780 (CHEMBL4137780)	Inhibition of recombinant human MAO-A using tyramine as substrate ampliflu red dye based fluorescence assay
50001487	4	ChEMBL_1722779 (CHEMBL4137779)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method
50001487	5	ChEMBL_1722784 (CHEMBL4137784)	Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method
50001487	6	ChEMBL_1722786 (CHEMBL4137786)	Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method
50001487	7	ChEMBL_1722778 (CHEMBL4137778)	Inhibition of human plasma BuChE using acetylthiocholine iodide as substrate by Ellman's method
50001487	8	ChEMBL_1722781 (CHEMBL4137781)	Inhibition of recombinant human MAO-B using tyramine as substrate ampliflu red dye based fluorescence assay
50001487	9	ChEMBL_1722782 (CHEMBL4137782)	Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50001489	1	ChEMBL_1722799 (CHEMBL4137799)	Displacement of [26,27-Methyl-3H]-1,25(OH)2D3 from recombinant human GST-tagged VDR LBD (140 to 427 residues) expressed in Escherichia coli BL21 preincubated for 30 mins followed by radioligand addition measured after 20 hrs
50001489	2	ChEMBL_1722803 (CHEMBL4137803)	Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-RXRalpha and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in interaction with RXRalpha by beta-galactosidase reporter gene based mammalian two-hybrid assay
50001489	3	ChEMBL_1722805 (CHEMBL4137805)	Transrepression of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-NCoR and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in NCoR recruitment by beta-galactosidase reporter gene based mammalian two-hybrid assay
50001489	4	ChEMBL_1722804 (CHEMBL4137804)	Transactivation of VP16-tagged VDR (unknown origin) expressed in HEK293 cells harboring pCMX-GAL4-SRC-1 and MH100(UAS) X 4tk-LUC reporter plasmid assessed as increase in SRC-1 recruitment by beta-galactosidase reporter gene based mammalian two-hybrid assay
50001489	5	ChEMBL_1722801 (CHEMBL4137801)	Transactivation of VDR (unknown origin) expressed in HEK293 cells harboring TK-Spp X 3-LUC reporter plasmid after 24 hrs by luciferase reporter gene assay
50001493	1	ChEMBL_1722914 (CHEMBL4137914)	Displacement of [3H]N-methylspiperone from human DRD2 after 90 mins by scintillation counting method
50001493	2	ChEMBL_1722920 (CHEMBL4137920)	Displacement of [3H]U69593 from KOR (unknown origin) expressed in membranes after 90 mins by scintillation counting method
50001493	3	ChEMBL_1722921 (CHEMBL4137921)	Displacement of [3H]DAMGO from human MOR expressed in HEK cell membranes after 90 mins by scintillation counting method
50001493	4	ChEMBL_1722915 (CHEMBL4137915)	Displacement of [3H]pyrilamine from human HRH1 expressed in HEK cell membranes after 90 mins by scintillation counting method
50001493	5	ChEMBL_1722913 (CHEMBL4137913)	Displacement of [3H]ketanserin from 5-HT2A (unknown origin) expressed in membranes after 90 mins by scintillation counting method
50001493	6	ChEMBL_1722927 (CHEMBL4137927)	Agonist activity at KOR (unknown origin) expressed in HEK293T assessed as intracellular cAMP accumulation after 15 mins by luciferase based GloSensor assay
50018195	2	ChEMBL_2266081	Inhibition of HPK1 in human Jurkat cells assessed as inhibition of SLP76 phosphorylation by measuring inhibition constant incubated for 1 hr by HTRF assay
50041180	1	ChEBML_204586	In vitro inhibition against Steroid 5-alpha-reductase of benign hyperplastic human prostatic tissue expressed as apparent inhibition constant
50001372	4	ChEMBL_204587 (CHEMBL814232)	In vitro inhibitory activity against 5-alpha reductase was determined in human prostatic tissue expressed as apparent inhibition constant
50001372	5	ChEMBL_204591 (CHEMBL814236)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Range is 7-18
50001372	6	ChEMBL_204590 (CHEMBL814235)	In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in human prostatic tissue expressed as apparent inhibition constant; Range is 7-12
50001493	7	ChEMBL_1722926 (CHEMBL4137926)	Agonist activity at MOR (unknown origin) expressed in HEK293T assessed as intracellular cAMP accumulation after 15 mins by luciferase based GloSensor assay
50001499	1	ChEMBL_1722942 (CHEMBL4137942)	Inverse agonist activity at RORgammat in human whole blood assessed as reduction in Con A/IL-23-stimulated IL-17 secretion after 72 hrs by ELISA
50001499	2	ChEMBL_1722934 (CHEMBL4137934)	Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitment after 1hr by TR-FRET assay
50001499	3	ChEMBL_1722932 (CHEMBL4137932)	Binding affinity to His-zz-tagged RORgammat (unknown origin) after 45 mins by MS reporter assay
50001499	4	ChEMBL_1722945 (CHEMBL4137945)	Inverse agonist activity at human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells after 24 hrs by luciferase reporter gene assay
50001499	5	ChEMBL_1722935 (CHEMBL4137935)	Binding affinity to RORgammat (unknown origin) by reporter displacement assay
50001499	6	ChEMBL_1722943 (CHEMBL4137943)	Inverse agonist activity at human GAL4-DBD fused RORalpha LBD expressed in human Jurkat cells after 24 hrs by luciferase reporter gene assay
50001499	7	ChEMBL_1722940 (CHEMBL4137940)	Inverse agonist activity at RORgammat in human PBMC-derived CD4-positive Th-17 polarized cells assessed as reduction in IL4/anti-IFN-gamma antibody-stimulated IL-17 secretion after 48 to 72 hrs by ELISA
50001499	8	ChEMBL_1722936 (CHEMBL4137936)	Binding affinity to RORgammat (unknown origin) by ITC
50001499	9	ChEMBL_1722944 (CHEMBL4137944)	Inverse agonist activity at human GAL4-DBD fused RORbeta LBD expressed in human Jurkat cells after 24 hrs by luciferase reporter gene assay
50001499	10	ChEMBL_1722939 (CHEMBL4137939)	Inverse agonist activity at human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulated IL-17 secretion after 48 hrs by ELISA
50001503	1	ChEMBL_1723553 (CHEMBL4138831)	Binding affinity to Cbx4 (unknown origin) by ITC method
50001503	2	ChEMBL_1723550 (CHEMBL4138828)	Binding affinity to G9a (unknown origin) after 30 mins by fluorescence polarization assay
50001503	3	ChEMBL_1723548 (CHEMBL4138826)	Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method
50001503	4	ChEMBL_1723539 (CHEMBL4138817)	Inhibition of recombinant HQ5-Halo-tagged JARID1A PHD3 finger domain (unknown origin) expressed in BL21(DE3)pLysS cells after 1 hr by chemiluminescent assay
50001503	5	ChEMBL_1723530 (CHEMBL4138808)	Binding affinity to Cbx7 (unknown origin) by ITC method
50001503	6	ChEMBL_1723541 (CHEMBL4138819)	Binding affinity to 15N-labeled GST-tagged MLL1 PHD3 finger domain (1565 to 1627 residues) (unknown origin) expressed in Escherichia coli Rosetta2 BL21(DE3) pLysS cells by NMR Spectroscopy method
50001503	7	ChEMBL_1723525 (CHEMBL4138803)	Inhibition of L3MBTL1 (unknown origin) by AlphaScreen assay
50001503	8	ChEMBL_1723556 (CHEMBL4138834)	Inhibition of JARID1A (unknown origin)
50001503	9	ChEMBL_1723549 (CHEMBL4138827)	Inhibition of full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by 3-FAM labelled fluorescence polarization assay
50001503	10	ChEMBL_1723540 (CHEMBL4138818)	Binding affinity to 15N-labeled GST-tagged ING2 PHD finger domain (212 to 264 residues) (unknown origin) expressed in Escherichia coli Rosetta2 BL21(DE3) pLysS cells by NMR Spectroscopy method
50001503	11	ChEMBL_1723534 (CHEMBL4138812)	Binding affinity to N-terminal GST-tagged CDYL (1 to 78 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by fluorescence polarization assay
50001503	12	ChEMBL_1723527 (CHEMBL4138805)	Binding affinity to 53BP1 methyllysine binding domain (unknown origin) by ITC method
50001503	13	ChEMBL_1723538 (CHEMBL4138816)	Inhibition of JARID1A PHD finger domain (unknown origin)
50001503	14	ChEMBL_1723526 (CHEMBL4138804)	Inhibition of 53BP1 methyllysine binding domain (unknown origin) after 30 mins by AlphaScreen assay
50001503	15	ChEMBL_1723554 (CHEMBL4138832)	Binding affinity to C-terminal His-tagged CDYL2 (1 to 75 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method
50001503	16	ChEMBL_1723551 (CHEMBL4138829)	Binding affinity to GLP (unknown origin) after 30 mins by fluorescence polarization assay
50001503	17	ChEMBL_1723545 (CHEMBL4138823)	Inhibition of GST-tagged EED (unknown origin) after 1 hr by OG(488) as probe-based TR-FRET analysis
50001503	18	ChEMBL_1723543 (CHEMBL4138821)	Binding affinity to EED (unknown origin) by ITC method
50001503	19	ChEMBL_1723542 (CHEMBL4138820)	Inhibition of recombinant SUMO-tagged MLL1 (unknown origin) by histone methyl transferase assay
50001482	2	ChEBML_68138	Tested by protection experiments to demonstrate the inactivation of estradiol dehydrogenase and the kinetic parameter Ki app was reported at a concentration of 20 uM
50001503	20	ChEMBL_1723537 (CHEMBL4138815)	Binding affinity to Cbx7 (unknown origin)
50001503	21	ChEMBL_1723536 (CHEMBL4138814)	Inhibition of Cbx7 (unknown origin) using FITC-labeled SETDB1-K1170me3 peptide as probe by fluorescence polarization assay
50001503	22	ChEMBL_1723535 (CHEMBL4138813)	Binding affinity to C-terminal His-tagged CDYL2 (1 to 75 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by fluorescence polarization assay
50001503	23	ChEMBL_1723533 (CHEMBL4138811)	Binding affinity to CDYL1b (unknown origin) after 30 mins by fluorescence polarization assay
50001503	24	ChEMBL_1723532 (CHEMBL4138810)	Binding affinity to N-terminal GST-tagged CDY1 (1 to 101 residues) (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells after 30 mins by fluorescence polarization assay
50001503	25	ChEMBL_1723529 (CHEMBL4138807)	Inhibition of N terminally fluorescein-tagged H3K27me3 binding to N terminallyHis6-tagged human Cbx7 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50001503	26	ChEMBL_1723528 (CHEMBL4138806)	Competitive displacement of p53K382me2 from His-tagged 53BP1 tandem Tudor domain (unknown origin)
50001492	1	ChEMBL_1723563 (CHEMBL4138841)	Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) self aggregation after 24 hrs by ThT-based fluorometric method
50041184	1	ChEBML_54571	Inhibitory activity against Escherichia coli dihydrofolate reductase
50001492	2	ChEMBL_1723557 (CHEMBL4138835)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by spectroscopy based Ellman's method
50018195	3	ChEMBL_2266082	Inhibition of TRKA (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50001492	3	ChEMBL_1723558 (CHEMBL4138836)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by spectroscopy based Ellman's method
50018195	4	ChEMBL_2266083	Inhibition of Lck (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50001492	4	ChEMBL_1723560 (CHEMBL4138838)	Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Lineweaver-Burk plot analysis
50018195	5	ChEMBL_2266084	Inhibition of PRKAA1 (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50018195	6	ChEMBL_2266085	Inhibition of FLT3 (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50018195	7	ChEMBL_2266086	Inhibition of PDGFRB (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50035931	4	ChEBML_196564	Competitive inhibitory activity against rat liver S-Adenosyl-homocysteine hydrolase
50001501	1	ChEMBL_1723581 (CHEMBL4138859)	Binding affinity to N-terminal GST-tagged HSP90 (unknown origin) expressed in Escherichia coli by biolayer interferometry analysis
50035934	7	ChEBML_82062	In vitro inhibition of progesterone production in hamster ovarian tissue
50001515	1	ChEMBL_1723834 (CHEMBL4139112)	Inhibition of CDK4 (unknown origin)
50001515	2	ChEMBL_1723835 (CHEMBL4139113)	Inhibition of c-erbbeta2 (unknown origin)
50041189	1	ChEBML_177026	In vitro inhibition of LTB4 production was measured in rat blood
50041189	2	ChEBML_98490	In vitro inhibition of LTB4 (LT) production in dog blood
50000998	9	ChEMBL_192302 (CHEMBL794467)	In vitro inhibition of aldosterone production in rat adrenal tissue
50001516	1	ChEMBL_1723839 (CHEMBL4139117)	Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110beta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells by ADP-Glo luminescent assay
50000998	12	ChEMBL_192301 (CHEMBL795454)	In vitro inhibition of aldosterone production in rat adrenal tissue
50000998	14	ChEBML_192302	In vitro inhibition of aldosterone production in rat adrenal tissue
50001516	2	ChEMBL_1723840 (CHEMBL4139118)	Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110delta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells by ADP-Glo luminescent assay
50001516	3	ChEMBL_1723837 (CHEMBL4139115)	Inhibition of Src kinase (unknown origin)
50001516	4	ChEMBL_1723838 (CHEMBL4139116)	Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110alpha/untagged p85alpha expressed in baculovirus infected insect Sf9 cells by ADP-Glo luminescent assay
50001516	5	ChEMBL_1723845 (CHEMBL4139123)	Inhibition of HDAC10 (unknown origin) using Color de lys as substrate by HTS assay
50001516	6	ChEMBL_1723844 (CHEMBL4139122)	Inhibition of HDAC2 (unknown origin) using Color de lys as substrate by HTS assay
50001516	7	ChEMBL_1723843 (CHEMBL4139121)	Inhibition of HDAC6 (unknown origin) using Color de lys as substrate by HTS assay
50001516	8	ChEMBL_1723836 (CHEMBL4139114)	Inhibition of human A431 cells derived EGFR by ELISA
50001518	1	ChEMBL_1723916 (CHEMBL4139194)	Inhibition of Trypanosoma cruzi cruzipain using Bz-Pro-Phe-Arg-p-NA as a chromogenic substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by spectrophotometry
50001520	1	ChEMBL_1723942 (CHEMBL4139220)	Displacement of [3H]prazosin from human alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins
50001520	2	ChEMBL_1723941 (CHEMBL4139219)	Displacement of [3H]prazosin from human alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins
50001520	3	ChEMBL_1723940 (CHEMBL4139218)	Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins
50018195	8	ChEMBL_2266087	Inhibition of MAP4K2 (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50018195	9	ChEMBL_2266088	Inhibition of STK4 (unknown origin) incubated for 90 mins in presence of ATP by microplate reader assay
50035973	8	ChEBML_84409	Binding constant against histamine H1 receptor (in vivo)
50001504	1	ChEMBL_1724007 (CHEMBL4139285)	Inhibition of full length C-terminal FLAG tagged human SMS1 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincubated for 60 mins followed by substrate addition measured after 30 mins by RapidFire/mass spectrometry assay
50001504	2	ChEMBL_1724008 (CHEMBL4139286)	Inhibition of full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincubated for 60 mins followed by substrate addition measured after 30 mins by RapidFire/mass spectrometry assay
50001504	3	ChEMBL_1723998 (CHEMBL4139276)	Inhibition of human SMS2 expressed in HEK293T cells using C2-ceramide as substrate preincubated for 60 mins followed by substrate addition measured after 30 mins by RapidFire/mass spectrometry assay
50001504	4	ChEMBL_1724004 (CHEMBL4139282)	Binding affinity to full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cells after 120 mins by AS/MS analysis
50001504	5	ChEMBL_1724002 (CHEMBL4139280)	Binding affinity to full length C-terminal FLAG tagged human SMS2 S217A mutant expressed in HEK293 cells after 120 mins by AS/MS analysis
50001504	6	ChEMBL_1724003 (CHEMBL4139281)	Binding affinity to full length C-terminal FLAG tagged human SMS2 S227A mutant expressed in HEK293 cells after 120 mins by AS/MS analysis
50018195	10	ChEMBL_2266089	Inhibition of CYP2D6 (unknown origin)
50001504	7	ChEMBL_1724000 (CHEMBL4139278)	Binding affinity to full length C-terminal FLAG tagged human SMS2 H229A mutant expressed in HEK293 cells after 120 mins by AS/MS analysis
50018195	11	ChEMBL_2266090	Inhibition of human HPK1 in human whole blood assessed as reduction in SLP76 phosphorylation incubated for 1 hr by HTRF assay
50018197	1	ChEMBL_2266110	Inhibition of Escherichia coil TrxR incubated for 2 hrs in presence of DTT and insulin
50018198	1	ChEMBL_2266123	Binding affinity to human wild type LY6K assessed as dissociation constant measured upto 250 sec by SPR assay
50018199	1	ChEMBL_2266135	Inhibition of HDAC in human HeLa cell extracts
50018199	2	ChEMBL_2266136	Inhibition of electric eel AChE
50041196	1	ChEMBL_53601 (CHEMBL665488)	Compound was tested for the inhibition of delta24-sterol reductase
50041196	2	ChEBML_53601	Compound was tested for the inhibition of delta24-sterol reductase
50035989	5	ChEBML_214866	Binding affinity towards Vasopressin V2 receptor in LLCPK cells
50035989	6	ChEMBL_214866 (CHEMBL820052)	Binding affinity towards Vasopressin V2 receptor in LLCPK cells
50001504	8	ChEMBL_1723999 (CHEMBL4139277)	Binding affinity to full length C-terminal FLAG tagged human SMS2 H272A mutant expressed in HEK293 cells after 120 mins by AS/MS analysis
50001504	9	ChEMBL_1724001 (CHEMBL4139279)	Binding affinity to full length C-terminal FLAG tagged human SMS2 D276A mutant expressed in HEK293 cells after 120 mins by AS/MS analysis
50001504	10	ChEMBL_1724013 (CHEMBL4139291)	Inhibition of human SMS1
50001504	11	ChEMBL_1724014 (CHEMBL4139292)	Inhibition of human SMS2
50001504	12	ChEMBL_1724010 (CHEMBL4139288)	Inhibition of full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate after 15 mins by RapidFire/mass spectrometry assay
50001504	13	ChEMBL_1724011 (CHEMBL4139289)	Inhibition of full length C-terminal FLAG tagged human SMS2 expressed in HEK293 cell membranes using DMPC-d72 and C17-ceramide as substrate preincubated for 60 mins followed by substrate addition measured after 15 mins by RapidFire/mass spectrometry assay
50001505	1	ChEMBL_1724022 (CHEMBL4139300)	Reversible competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured over 5 mins by Dixon plot analysis
50001505	2	ChEMBL_1724025 (CHEMBL4139303)	Inhibition of electric eel AChE
50001505	3	ChEMBL_1724020 (CHEMBL4139298)	Inhibition of human AChE using acetylthiocholine iodide as substrate measured over 5 mins by Ellman's method
50001505	4	ChEMBL_1724021 (CHEMBL4139299)	Reversible competitive inhibition of equine serum BChE using acetylthiocholine iodide as substrate measured over 5 mins by Ellman's method
50001505	5	ChEMBL_1724023 (CHEMBL4139301)	Reversible competitive inhibition of human AChE using acetylthiocholine iodide as substrate measured over 5 mins by Dixon plot analysis
50001505	6	ChEMBL_1724026 (CHEMBL4139304)	Inhibition of human AChE
50018199	3	ChEMBL_2266137	Inhibition of equine serum BChE
50001505	7	ChEMBL_1724019 (CHEMBL4139297)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured over 5 mins by Ellman's method
50001505	8	ChEMBL_1724024 (CHEMBL4139302)	Inhibition of equine serum BChE using acetylthiocholine iodide as substrate measured over 5 mins by Dixon plot analysis
50018201	1	ChEMBL_2266207	Inhibition of SARS-CoV-2 RdRp using ATP substrate preincubated with compound for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen microplate reader analysis
50001505	9	ChEMBL_1724027 (CHEMBL4139305)	Inhibition of human brain cortex AChE
50001506	1	ChEMBL_1724072 (CHEMBL4139350)	Inhibition of human VEGFR2 using TMB substrate by ELISA
50000072	8	ChEBML_155984	Inhibition of ADP-induced platelet aggregation in rabbit platelet rich plasma (PRP)
50001507	1	ChEMBL_1724076 (CHEMBL4139354)	Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
50001507	2	ChEMBL_1724082 (CHEMBL4139360)	Antagonist activity at human OTR expressed in CHO cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluorescence assay
50001507	3	ChEMBL_1724086 (CHEMBL4139364)	Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced increase in Ca2+ flux preincubated for 5 mins followed by OT addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
50001507	4	ChEMBL_1724088 (CHEMBL4139366)	Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cell membranes assessed as inhibition of AVP-induced increase in Ca2+ flux preincubated for 5 mins followed by AVP addition measured after 5 mins for every 2 secs by Ca5 dye based FLIPR assay
50001507	5	ChEMBL_1724090 (CHEMBL4139368)	Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by microbeta scintillation counting method
50001507	6	ChEMBL_1724091 (CHEMBL4139369)	Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 90 mins by microbeta scintillation counting method
50001507	7	ChEMBL_1724092 (CHEMBL4139370)	Agonist activity at human OTR expressed in HEK293 cell membranes induction of IP1 accumulation at 0.1 to 10 uM measured after 1 hr by fluorescence assay
50001507	8	ChEMBL_1724079 (CHEMBL4139357)	Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cell membranes assessed as inhibition of AVP-induced IP1 accumulation measured after 1 hr by fluorescence assay
50018201	2	ChEMBL_2266212	Inhibition of SARS-CoV-2 RdRp expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based assay
50018201	3	ChEMBL_2266213	Inhibition of SARS-CoV-2 RdRp incubated for 60 mins by fluorescence based assay
50018203	1	ChEMBL_2266215	Inhibition of Glucosylceramide synthase (unknown origin) using C6-ceramide and UDP-glucose as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by UDP-Glo luminometer analysis
50001507	9	ChEMBL_1724085 (CHEMBL4139363)	Antagonist activity at human vasopressin 1a receptor expressed in CHO cell membranes assessed as inhibition of AVP-induced IP1 accumulation by measuring IP1 level measured after 1 hr by fluorescence assay
50000660	3	ChEBML_54610	The compound was tested for its inhibitory activity against dihydrofolate reductase(DHFR) derived from L1210 cells.
50001502	1	ChEMBL_1724103 (CHEMBL4139381)	Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced current by measuring GABA EC50 at 1.4 uM incubated for 15 to 25 secs by two-electrode voltage clamp assay (Rvb = 4.5 uM)
50001502	2	ChEMBL_1724104 (CHEMBL4139382)	Displacement of [3H]muscimol from human GABAA receptor alpha1beta3gamma2 expressed in HEK293 TetR cell membranes after 1 hr by liquid scintillation counting method
50001502	3	ChEMBL_1724101 (CHEMBL4139379)	Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA chloride current incubated for 15 to 25 secs by two-electrode voltage clamp assay
50001502	4	ChEMBL_1724102 (CHEMBL4139380)	Positive allosteric modulation of human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced current by measuring GABA EC50 at 2.5 uM incubated for 15 to 25 secs by two-electrode voltage clamp assay (Rvb = 4.5 uM)
50001509	1	ChEMBL_1724125 (CHEMBL4139403)	Inhibition of recombinant GST-tagged PTP1B catalytic domain (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate after 30 mins by spectrophotometer
50001509	2	ChEMBL_1724127 (CHEMBL4139405)	Inhibition of TCPTP (unknown origin) using pNPP as substrate after 30 mins by spectrophotometer
50036062	4	ChEBML_29107	Affinity for adenosine A1 receptor of calf brain using 1 nM [3H]PIA
50041203	1	ChEBML_209982	Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS
50041203	2	ChEMBL_209983 (CHEMBL878640)	Compound was evaluated for inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells that overproduce thymidylate synthase due to amplification of TS gene
50041205	1	ChEMBL_141647 (CHEMBL749548)	Inhibition of eledoisin binding to NK-2 receptor in rat vas deferens
50041205	2	ChEMBL_141653 (CHEMBL857140)	Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin (mean +/-, n=4)
50041205	3	ChEMBL_141651 (CHEMBL749631)	Tested antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
50041205	4	ChEMBL_141638 (CHEMBL749539)	Tested for antagonist activity toward NK-1 receptor in guinea pig ileum against the agonist eledoisin
50041205	5	ChEMBL_141652 (CHEMBL749632)	Tested for antagonist activity toward NK-3 receptor in rat portal vein against the agonist eledoisin
50041205	6	ChEMBL_141639 (CHEMBL749540)	Tested for antagonist activity toward NK-1 receptor in guinea pig ileum against the agonist eledoisin (mean +/-, n=4)
50001525	1	ChEMBL_1724368 (CHEMBL4139646)	Inverse agonist activity at GAL4-DNA binding domain-fused human ERRalpha ligand binding domain expressed in HEK293 cells assessed as inhibition of transcriptional activity after 48 hrs by luciferase reporter gene assay
50041206	1	ChEBML_1965	Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor in pig caudate membrane
50041206	2	ChEBML_1850	Displacement of [3H]mesulergine from pig cortex 5-hydroxytryptamine 1C receptor
50041206	3	ChEBML_1080	Displacement of [3H]8-OH-DPAT from pig cortex 5-hydroxytryptamine 1A receptor
50001525	2	ChEMBL_1724387 (CHEMBL4139665)	Inhibition of fluorescein-labeled PGC-1alpha binding to GAL4-DNA binding domain-fused human ERRalpha ligand binding domain expressed in HEK293 cells in presence of terbium chelate by TR-FRET assay
50001519	1	ChEMBL_1724425 (CHEMBL4139703)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA by fluorescence assay
50001519	2	ChEMBL_1724426 (CHEMBL4139704)	Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of Ac-CoA by fluorescence assay
50001519	3	ChEMBL_1724432 (CHEMBL4139710)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA and NAD+ by fluorescence assay
50001519	4	ChEMBL_1724427 (CHEMBL4139705)	Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA by fluorescence assay
50001519	5	ChEMBL_1724431 (CHEMBL4139709)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA and NADH by fluorescence assay
50001519	6	ChEMBL_1724435 (CHEMBL4139713)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) co-expressed in baculovirus infected sf9 cells using Boc-Lys(epsioln-Ac)-AMC as substrate after 90 mins by fluorescence assay
50006078	13	ChEBML_96762	Apparent Ki for rat Lanosterol 14-alpha demethylase
50001519	7	ChEMBL_1724430 (CHEMBL4139708)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA and TCEP by fluorescence assay
50001519	8	ChEMBL_1724433 (CHEMBL4139711)	Binding affinity to N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50001519	9	ChEMBL_1724434 (CHEMBL4139712)	Binding affinity to N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) in presence of Ac-CoA by isothermal titration calorimetry
50001519	10	ChEMBL_1724450 (CHEMBL4139728)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibitor-enzyme complex using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA by fluorescence assay
50001519	11	ChEMBL_1724451 (CHEMBL4139729)	Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibitor-acetylated enzyme complex using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of Ac-CoA by fluorescence assay
50001521	1	ChEMBL_1724453 (CHEMBL4139731)	Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirring for every 30 min measured for every 12 hrs by microscopic analysis
50001521	2	ChEMBL_1724456 (CHEMBL4139734)	Antagonist activity at Adenosine receptor in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirring for every 30 min measured for every 12 hrs by microscopic analysis
50001524	1	ChEMBL_1724470 (CHEMBL4139748)	Inhibition of rat brain FAAH using [3H]AEA as substrate after 10 mins by liquid scintillation counting analysis
50001524	2	ChEMBL_1724482 (CHEMBL4139760)	Inhibition of rat brain FAAH using [3H]AEA as substrate
50001524	3	ChEMBL_1724468 (CHEMBL4139746)	Competitive inhibition of rat brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis
50001524	4	ChEMBL_1724489 (CHEMBL4139767)	Inhibition of FAAH T488A mutant (unknown origin) expressed in human HeLa cells using [3H]AEA as substrate after 18 hrs
50001524	5	ChEMBL_1724488 (CHEMBL4139766)	Inhibition of FAAH (unknown origin) expressed in human HeLa cells transfected with empty vector using [3H]AEA as substrate after 18 hrs
50001524	6	ChEMBL_1724487 (CHEMBL4139765)	Inhibition of FAAH (unknown origin) expressed in human HeLa cells using [3H]AEA as substrate after 18 hrs
50001524	7	ChEMBL_1724480 (CHEMBL4139758)	Inhibition of FAAH T488A mutant (unknown origin) expressed in human HeLa cells using [3H]AEA as substrate after 2 hrs by liquid scintillation counting analysis
50001524	8	ChEMBL_1724479 (CHEMBL4139757)	Inhibition of FAAH (unknown origin) expressed in human HeLa cells transfected with empty vector using [3H]AEA as substrate after 2 hrs by liquid scintillation counting analysis
50001524	9	ChEMBL_1724477 (CHEMBL4139755)	Inhibition of FAAH (unknown origin) expressed in human HeLa cells using [3H]AEA as substrate after 2 hrs by liquid scintillation counting analysis
50001524	10	ChEMBL_1724473 (CHEMBL4139751)	Noncompetitive inhibition of rat brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis
50001524	11	ChEMBL_1724469 (CHEMBL4139747)	Mixed-type inhibition of B6CBAF1/J mouse brain FAAH using [3H]AEA as substrate after 10 mins by Dixon plot analysis
50001524	12	ChEMBL_1724484 (CHEMBL4139762)	Inhibition of rat brain FAAH using [3H]AEA as substrate preincubated for 10 mins at pH 8
50001524	13	ChEMBL_1724483 (CHEMBL4139761)	Inhibition of rat brain FAAH using [3H]AEA as substrate preincubated for 10 mins at pH 6
50001531	1	ChEMBL_1724601 (CHEMBL4139879)	Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay
50001531	2	ChEMBL_1724603 (CHEMBL4139881)	Transactivation of human Gal4-fused PPARgamma LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay
50001535	1	ChEMBL_1724748 (CHEMBL4140026)	Inhibition of horse serum BChE
50001535	2	ChEMBL_1724727 (CHEMBL4140005)	Inhibition of ICAM1 (unknown origin)
50001535	3	ChEMBL_1724708 (CHEMBL4139986)	Inhibition of soybean lipoxygenase
50001535	4	ChEMBL_1724729 (CHEMBL4140007)	Inhibition of VCAM1 (unknown origin)
50001535	5	ChEMBL_1724720 (CHEMBL4139998)	Displacement of [3H]apomorphine from rat caudate dopamine receptor
50001535	6	ChEMBL_1724719 (CHEMBL4139997)	Displacement of [3H]-spiperone from rat caudate dopamine receptor
50001535	7	ChEMBL_1724707 (CHEMBL4139985)	Inhibition of soybean lipoxygenase using linoleic acid as substrate preincubated for 5 mins followed by substrate addition measuredf after 7 mins by solution A/B solution based assay
50001544	1	ChEMBL_1725283 (CHEMBL4140561)	Inhibition of recombinant Trypanosoma cruzi cruzain preincubated for 10 mins followed by Z-FR-AMC substrate addition measured for 5 mins at 12 secs time interval by flow cytometry relative to control
50001545	1	ChEMBL_1725303 (CHEMBL4140581)	Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo assay
50001545	2	ChEMBL_1725304 (CHEMBL4140582)	Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo assay
50001545	3	ChEMBL_1725306 (CHEMBL4140584)	Inhibition of VEGFR3 (unknown origin)
50001545	4	ChEMBL_1725309 (CHEMBL4140587)	Inhibition of FGFR4 (unknown origin)
50001545	5	ChEMBL_1725313 (CHEMBL4140591)	Inhibition of c-KIT (unknown origin)
50001545	6	ChEMBL_1725302 (CHEMBL4140580)	Inhibition of VEGFR2 (unknown origin) using Poly E4Y1 substrate after 1 hr by ADP-Glo assay
50041207	2	ChEBML_36151	Inhibitory activity against angiotensin converting enzyme (ACE); Activity is for a diastereomeric or racemic mixture
50018203	2	ChEMBL_2266218	Inhibition of GCS in human fibroblast
50018203	3	ChEMBL_2266221	Antagonist activity at human 5HT3A expressed in HEK293 cells incubated for 1 hr by FLIPR assay
50001545	7	ChEMBL_1725305 (CHEMBL4140583)	Inhibition of VEGFR1 (unknown origin)
50001545	8	ChEMBL_1725307 (CHEMBL4140585)	Inhibition of EGFR (unknown origin)
50001545	9	ChEMBL_1725308 (CHEMBL4140586)	Inhibition of FGFR1 (unknown origin)
50001545	10	ChEMBL_1725310 (CHEMBL4140588)	Inhibition of PDGFRbeta (unknown origin)
50001545	11	ChEMBL_1725311 (CHEMBL4140589)	Inhibition of IGF1R (unknown origin)
50001545	12	ChEMBL_1725312 (CHEMBL4140590)	Inhibition of BRAF (unknown origin)
50001545	13	ChEMBL_1725314 (CHEMBL4140592)	Inhibition of c-MET (unknown origin)
50006226	6	ChEBML_96936	Inhibition of amidase activity of LTA4 hydrolase purified from human leukocytes
50036165	4	ChEMBL_4314 (CHEMBL618422)	Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane
50036169	2	ChEBML_141769	Evaluated for the binding affinity against NK1 receptor
50005412	8	ChEBML_210732	Inhibitory activity against protein tyrosine kinase
50001511	1	ChEMBL_1725339 (CHEMBL4140617)	Inhibition of human COX2 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay
50001511	2	ChEMBL_1725337 (CHEMBL4140615)	Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay
50001517	1	ChEMBL_1725353 (CHEMBL4140631)	Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured up to 5 mins by Dixon plot analysis
50001517	2	ChEMBL_1725350 (CHEMBL4140628)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured for 20 mins
50001530	1	ChEMBL_1725518 (CHEMBL4140796)	Inhibition of MLN51-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A3 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50001530	2	ChEMBL_1725517 (CHEMBL4140795)	Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A1 RNA dependent ATPase activity expressed in Escherichia coli BL21(DE3) using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50001530	3	ChEMBL_1725523 (CHEMBL4140801)	Inhibition of eIF4G-induced full length recombinant human N-terminal His6/SUMO-tagged eIF4A2 RNA dependent ATPase activity using single stranded poly(U) RNA as substrate after 40 mins by ADP-Glo luminescence assay
50001530	4	ChEMBL_1725524 (CHEMBL4140802)	Inhibition of human recombinant N-terminal full length His-tagged BRR2 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50001530	5	ChEMBL_1725525 (CHEMBL4140803)	Inhibition of human recombinant N-terminal full length FLAG-His-tagged DHX29 RNA dependent ATPase activity expressed in baculovirus infected Sf9 insect cells using single stranded poly(U) RNA as substrate after 30 mins by ADP-Glo luminescence assay
50001534	1	ChEMBL_1725642 (CHEMBL4140920)	Negative allosteric modulation of rat mGlu3 receptor expressed in HEK cells harboring GIRK channel assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	2	ChEMBL_1725564 (CHEMBL4140842)	Positive allosteric modulation of rat mGlu5 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	3	ChEMBL_1725548 (CHEMBL4140826)	Positive allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	4	ChEMBL_1725550 (CHEMBL4140828)	Positive allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	5	ChEMBL_1725544 (CHEMBL4140822)	Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium mobilization incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	6	ChEMBL_1725555 (CHEMBL4140833)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50001534	7	ChEMBL_1725557 (CHEMBL4140835)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50001534	8	ChEMBL_1725556 (CHEMBL4140834)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50001534	9	ChEMBL_1725558 (CHEMBL4140836)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC-MS/MS analysis
50001534	10	ChEMBL_1725562 (CHEMBL4140840)	Positive allosteric modulation of rat mGlu2 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	11	ChEMBL_1725641 (CHEMBL4140919)	Negative allosteric modulation of rat mGlu2 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	12	ChEMBL_1725647 (CHEMBL4140925)	Negative allosteric modulation of rat mGlu8 receptor expressed in HEK cells co-expressing Galphai5 assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	13	ChEMBL_1725644 (CHEMBL4140922)	Negative allosteric modulation of human mGlu6 receptor expressed in HEK cells harboring GIRK channel assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	14	ChEMBL_1725561 (CHEMBL4140839)	Positive allosteric modulation of rat mGlu1 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50036216	8	ChEMBL_147855 (CHEMBL758057)	Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formation
50001534	15	ChEMBL_1725633 (CHEMBL4140911)	Displacement of [3H] substance P from recombinant human NK1 receptor expressed in CHO cells after 90 mins by scintillation counting method
50005428	3	ChEMBL_37846 (CHEMBL656008)	Inhibitory concentration against beta-2-adrenergic receptor in isolated guinea pig tracheal strips
50001534	16	ChEMBL_1725563 (CHEMBL4140841)	Positive allosteric modulation of rat mGlu3 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	17	ChEMBL_1725640 (CHEMBL4140918)	Negative allosteric modulation of rat mGlu1 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	18	ChEMBL_1725643 (CHEMBL4140921)	Negative allosteric modulation of rat mGlu5 receptor expressed in HEK cells assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50001534	19	ChEMBL_1725645 (CHEMBL4140923)	Negative allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 harboring GIRK channel assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50041212	1	ChEMBL_202293 (CHEMBL814060)	Cytotoxic effect on EGF-receptor overexpressing HN5 squamous carcinoma cells
50041212	2	ChEMBL_66885 (CHEMBL676234)	Cytotoxic effect on EGF-receptor overexpressing HN5 squamous carcinoma cells
50041212	3	ChEMBL_202292 (CHEMBL814059)	Cytotoxic effect on EGF-receptor overexpressing HN5 squamous carcinoma cells
50001534	20	ChEMBL_1725646 (CHEMBL4140924)	Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galphai5 assessed as decrease in glutamate-induced thallium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50018203	4	ChEMBL_2266227	Inhibition of GCS in mouse fibroblast
50018203	5	ChEMBL_2266235	Inhibition of CYP3A4 (unknown origin)
50018203	6	ChEMBL_2266236	Inhibition of CYP2C9 (unknown origin)
50001534	21	ChEMBL_1725565 (CHEMBL4140843)	Positive allosteric modulation of human mGlu6 receptor expressed in HEK cells assessed as increase in glutamate-induced calcium flux incubated for 142 secs followed by glutamate addition measured after 120 secs by Fluo4-AM dye based fluorescence assay
50018203	7	ChEMBL_2266237	Inhibition of CYP2D6 (unknown origin)
50018203	8	ChEMBL_2266238	Activation of PXR (unknown origin)
50001538	1	ChEBML_1725649	Inhibition of bovine carboxypeptidase A using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate preincubated for 3 hrs followed by susbtrate addition measured for 15 mins at 30 secs interval
50001538	2	ChEMBL_1725648 (CHEMBL4140926)	Inhibition of bovine carboxypeptidase A using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate preincubated for 2 mins followed by susbtrate addition measured for 15 mins at 30 secs interval
50018203	9	ChEMBL_2266240	Inhibition of human ERG
50001538	3	ChEBML_1725650	Irreversible inhibition of recombinant human carboxypeptidase A1 expressed in Pichia pastoris using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate measured for 600 secs by double reciprocal plot analysis
50018203	10	ChEMBL_2266241	Inhibition of human muscarinic M5 receptor
50018203	11	ChEMBL_2266242	Inhibition of human alpha3beta4 nAChR
50018203	12	ChEMBL_2266256	Invivo inhibition of GCS in C57 mouse assessed as reduction in brain GlcCer d18:1/18:0 concentration measured after 8 hrs by LC-MS/MS method
50018203	13	ChEMBL_2266257	Inhibition of GCS in human iPSC derived neurons assessed as reduction in brain GlcCer levels
50018207	1	ChEMBL_2266263	Displacement of [3H]-dofetilide from human ERG
50001538	4	ChEMBL_1725650 (CHEMBL4140928)	Irreversible inhibition of recombinant human carboxypeptidase A1 expressed in Pichia pastoris using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate measured for 600 secs by double reciprocal plot analysis
50036286	4	ChEMBL_181683 (CHEMBL786457)	Inhibition of [3H]S-(4-Nitrobenzyl)-6-thioinosine binding to adenosine uptake sites in rat brain membranes
50036286	5	ChEMBL_181682 (CHEMBL786456)	Inhibition of [3H]S-(4-Nitrobenzyl)-6-thioinosine binding to adenosine uptake sites in rat brain membranes
50001538	5	ChEMBL_1725649 (CHEMBL4140927)	Inhibition of bovine carboxypeptidase A using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate preincubated for 3 hrs followed by susbtrate addition measured for 15 mins at 30 secs interval
50001540	1	ChEMBL_1725651 (CHEMBL4140929)	Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins
50001540	2	ChEMBL_1725653 (CHEMBL4140931)	Inhibition of DPP9 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 min
50036287	10	ChEMBL_96427 (CHEMBL706375)	Tested for competitive inhibition of rat intestinal lactase
50001540	3	ChEMBL_1725656 (CHEMBL4140934)	Reversible mixed-type inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins by Line-weaver-Burk plot analysis
50001540	4	ChEMBL_1725657 (CHEMBL4140935)	Competitive inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins by Line-weaver-Burk plot analysis
50001540	5	ChEMBL_1725652 (CHEMBL4140930)	Inhibition of DPP8 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 min
50041218	1	ChEMBL_43176 (CHEMBL659203)	Effective concentration in vitro against HIV-1-infected CEM cells relative to uninfected untreated controls
50001543	1	ChEMBL_1725722 (CHEMBL4141000)	Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 15 mins followed by substrate addition measured at 5 mins interval for 120 mins by fluorescence assay
50001543	2	ChEMBL_1725723 (CHEMBL4141001)	Inhibition of recombinant human C-terminal His10-tagged cathepsin E (Gln18 to Pro396 residues) using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 15 mins followed by substrate addition measured at 5 mins interval for 120 mins by fluorescence assay
50001543	3	ChEMBL_1725728 (CHEMBL4141006)	Inhibition of cathepsin E in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 4 hrs followed by compound washout and subsequent substrate addition measured at 30 secs interval for 30 mins by fluorescence assay
50001543	4	ChEMBL_1725731 (CHEMBL4141009)	Inhibition of secreted cathepsin E in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 3 days under pH 6.6 conditioned media followed by substrate addition measured at 5 mins interval for 2 hrs by fluorescence assay
50001543	5	ChEMBL_1725727 (CHEMBL4141005)	Inhibition of cathepsin D in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 4 hrs followed by compound washout and subsequent substrate addition measured at 30 secs interval for 30 mins by fluorescence assay
50001543	6	ChEMBL_1725725 (CHEMBL4141003)	Inhibition of cathepsin D in human MDA-MB-231 cell lysates using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 15 mins followed by substrate addition measured at 30 secs interval for 30 mins by fluorescence assay
50001543	7	ChEMBL_1725729 (CHEMBL4141007)	Inhibition of cathepsin D in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 4 hrs followed by compound washout and subsequent 10 mins trypsinization prior to substrate addition measured at 30 secs interval for 30 mins by fluorescence assay
50001543	8	ChEMBL_1725721 (CHEMBL4140999)	Inhibition of secreted cathepsin D in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 3 days under pH 6.6 conditioned media followed by substrate addition measured at 5 mins interval for 2 hrs by fluorescence assay
50041219	1	ChEMBL_58226 (CHEMBL669953)	Binding affinity against dopamine D2 receptor
50041219	2	ChEMBL_60518 (CHEMBL858025)	Binding affinity against dopamine receptor D1
50018207	2	ChEMBL_2266265	Inverse agonist activity at 6His-tagged RORA LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of biotinylated SRC1-2 derived CPSSHSSLTERHKILHRLLQEGSPS-NH2 containing LXXLL coactivator peptide incubated for 3 hrs by TR-FRET assay
50001543	9	ChEMBL_1725730 (CHEMBL4141008)	Inhibition of cathepsin E in human MDA-MB-231 cells using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 4 hrs followed by compound washout and subsequent 10 mins trypsinization prior to substrate addition measured at 30 secs interval for 30 mins by fluorescence assay
50001528	1	ChEBML_1726226	Inhibition of human recombinant full-length HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50041220	1	ChEMBL_204747 (CHEMBL805440)	Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells
50041220	2	ChEMBL_204884 (CHEMBL857530)	Apparent inhibition constant against recombinant human Steroid 5-alpha-reductase type I expressed in CHO cells
50018207	3	ChEMBL_2266266	Inverse agonist activity at 6His-tagged RORB LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of biotinylated SRC1-2 derived CPSSHSSLTERHKILHRLLQEGSPS-NH2 containing LXXLL coactivator peptide incubated for 3 hrs by TR-FRET assay
50018208	1	ChEMBL_2266287	Inhibition of 6His-tagged SOS1 (unknown origin) mediated GST-tagged KRAS G12D activation preincubated for 15 mins followed by KRAS G12D addition and measured after 30 mins by HTRF assay
50001528	2	ChEBML_1726234	Inhibition of HDAC10 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50041222	4	ChEMBL_214568 (CHEMBL856235)	Anti-vasopressor activity at V1a receptor
50041222	5	ChEMBL_215024 (CHEMBL820875)	Antidiuretic activity at V2 receptor
50041222	6	ChEMBL_214569 (CHEMBL818694)	Anti-vasopressor activity at V1a receptor 
50041222	8	ChEMBL_149197 (CHEMBL762759)	In vitro anti-oxytocic activity with 0.5 mM Mg2+.
50041222	9	ChEMBL_214570 (CHEMBL818695)	Compound was evaluated for the anti-vasopressor activity at V1a receptor.. 
50001528	3	ChEBML_1726229	Inhibition of HDAC4 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	4	ChEBML_1726230	Inhibition of HDAC5 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	5	ChEBML_1726231	Inhibition of HDAC7 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	6	ChEBML_1726228	Inhibition of human recombinant full-length C-terminal GST-tagged HDAC3 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	7	ChEBML_1726225	Inhibition of human recombinant full-length HDAC1 (1 to 482 residues) expressed in baculovirus using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50041222	13	ChEMBL_149190 (CHEMBL762753)	Compound was evaluated for the oxytocic activity with 0.5 mM Mg2+.
50001528	8	ChEBML_1726235	Inhibition of HDAC11 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	9	ChEBML_1726233	Inhibition of HDAC9 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	10	ChEBML_1726232	Inhibition of HDAC8 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	12	ChEMBL_1726225 (CHEMBL4141503)	Inhibition of human recombinant full-length HDAC1 (1 to 482 residues) expressed in baculovirus using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	11	ChEMBL_1726227 (CHEMBL4141505)	Inhibition of human recombinant full-length C-terminal GST-tagged HDAC2 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50001528	13	ChEMBL_1726226 (CHEMBL4141504)	Inhibition of human recombinant full-length HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50041222	16	ChEMBL_149201 (CHEMBL762763)	In vitro anti-oxytocic activity with 0.5 mM Mg2+.
50001528	14	ChEMBL_1726233 (CHEMBL4141511)	Inhibition of HDAC9 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50041223	2	ChEMBL_1741 (CHEMBL616946)	Binding activity radioligand.
50041223	3	ChEMBL_2708 (CHEMBL617955)	Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.
50041223	4	ChEMBL_2506 (CHEMBL617393)	Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.
50041223	5	ChEMBL_2707 (CHEMBL617954)	Binding activity radioligand.
50041223	6	ChEMBL_1961 (CHEMBL875911)	Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.
50041223	7	ChEMBL_1077 (CHEMBL616400)	Binding activity against 5-hydroxytryptamine 1A receptor from pig cortex membrane using [3H]8-OH-DPAT-HT as radioligand.
50041223	8	ChEMBL_2793 (CHEMBL617862)	Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.
50041223	9	ChEMBL_1078 (CHEMBL616401)	Binding activity against 5-hydroxytryptamine 1A receptor from pig cortex membrane using [3H]8-OH-DPAT-HT as radioligand.
50041223	10	ChEMBL_2505 (CHEMBL617392)	Binding activity radioligand.
50041223	11	ChEMBL_1013 (CHEMBL616216)	Binding activity radioligand.
50041223	13	ChEMBL_1958 (CHEMBL617565)	Binding activity against 5-hydroxytryptamine 1D receptor from pig caudate membrane using [3H]5-HT as radioligand
50041223	14	ChEMBL_1960 (CHEMBL617566)	Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand.
50041223	15	ChEMBL_2709 (CHEMBL857071)	Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand; NA Not Available
50041223	16	ChEMBL_2802 (CHEMBL617654)	Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand.
50041223	17	ChEMBL_1742 (CHEMBL616947)	Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.
50041223	18	ChEMBL_1962 (CHEMBL617567)	Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand; NA Not Available
50041223	19	ChEMBL_1959 (CHEMBL856076)	Binding activity radioligand.
50041223	20	ChEMBL_2737 (CHEMBL617296)	Binding activity radioligand.
50041223	21	ChEMBL_3126 (CHEMBL617968)	Binding activity radioligand.
50041223	23	ChEMBL_3124 (CHEMBL857074)	Binding activity against 5-hydroxytryptamine 3 receptor from rat cortex homogenate using [3H]-Q-ICS 205-930 as radioligand.
50001528	15	ChEMBL_1726229 (CHEMBL4141507)	Inhibition of HDAC4 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50005260	7	ChEMBL_53706 (CHEMBL664466)	Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]dTTP
50005260	6	ChEMBL_53707 (CHEMBL664467)	Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]dTTP
50041224	1	ChEMBL_59302 (CHEMBL669437)	Inhibition of dopamine beta hydroxylase
50005286	5	ChEMBL_177003 (CHEMBL779293)	In vitro inhibition of ACTH-stimulated corticosterone biosynthesis in rat adrenal slices
50001528	16	ChEMBL_1726228 (CHEMBL4141506)	Inhibition of human recombinant full-length C-terminal GST-tagged HDAC3 expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay
50005286	6	ChEMBL_192299 (CHEMBL795307)	In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices
50005286	9	ChEMBL_177001 (CHEMBL779291)	In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices
50018208	2	ChEMBL_2266290	Inhibition of FGFR1 (unknown origin)
50018208	3	ChEMBL_2266291	Inhibition of EGFR (unknown origin)
50018208	4	ChEMBL_2266292	Inhibition of HER2 (unknown origin)
50018208	5	ChEMBL_2266293	Inhibition of PDGFRalpha (unknown origin)
50018208	6	ChEMBL_2266294	Inhibition of CDK2 (unknown origin)
50018208	7	ChEMBL_2266295	Inhibition of CDK4 (unknown origin)
50018209	1	ChEMBL_2266398	Inhibition of human EGFR
50018210	1	ChEMBL_2266434	Inhibition of HIV-1 protease
50018210	2	ChEMBL_2266436	Inhibition of HIV-1 protease by fluorescence assay
50018211	1	ChEMBL_2266438	Inhibition of human plasma kallikrein using Acetyl-K- P-R-AFC as substrate by fluorescence based analysis
50001529	1	ChEMBL_1726248 (CHEMBL4141526)	Inhibition of FLT3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50001529	2	ChEMBL_1726247 (CHEMBL4141525)	Inhibition of c-MET (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50001529	3	ChEMBL_1726251 (CHEMBL4141529)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50001529	4	ChEMBL_1726250 (CHEMBL4141528)	Inhibition of cKIT (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50001529	5	ChEMBL_1726249 (CHEMBL4141527)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50001533	1	ChEMBL_1726271 (CHEMBL4141549)	Inhibition of mTOR (unknown origin) using Ulight-4EBP1 peptide as substrate measured after 1 hr by Lance Ultra assay
50001541	1	ChEMBL_1726329 (CHEMBL4141607)	Binding affinity to human biotin-labeled Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by biolayer interferometry
50001541	2	ChEMBL_1726332 (CHEMBL4141610)	Inhibition of FITC-labeled Nrf2 binding to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) after 30 mins by fluorescence polarization assay
50001541	3	ChEMBL_1726328 (CHEMBL4141606)	Binding affinity to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by isothermal titration calorimetry
50018211	2	ChEMBL_2266439	Inhibition of human factor 11a using GPR-AFC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50001541	4	ChEMBL_1726327 (CHEMBL4141605)	Binding affinity to Keap1 (unknown origin) by isothermal titration calorimetry
50001546	1	ChEMBL_1726360 (CHEMBL4141638)	Antagonist activity at androgen receptor (unknown origin) expressed in African green monkey COS7 cells assessed as inhibition of R1881-induced protein activation after 24 hrs by luciferase reporter gene assay
50018212	1	ChEMBL_2266440	Activation of human 3X-HA N-tagged OTR expressed in CHO-K1 cells incubated for 10 mins by cell Western assay
50001548	1	ChEMBL_1726368 (CHEMBL4141646)	Inhibition of MAO-B in rat liver mitochondria using p-tyramine as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of MAO-A inhibitor clorgyline by Amplex red dye-based fluorescence assay
50001548	2	ChEMBL_1726367 (CHEMBL4141645)	Inhibition of MAO-A in rat liver mitochondria using p-tyramine as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins in presence of MAO-B inhibitor deprenyl by Amplex red dye-based fluorescence assay
50018212	2	ChEMBL_2266441	Activation of human 3X-HA N-tagged AVP1a expressed in CHO-K1 cells incubated for 10 mins by cell Western assay
50018212	3	ChEMBL_2266442	Activation of human 3X-HA N-tagged AVP1b expressed in CHO-K1 cells incubated for 10 mins by cell Western assay
50018213	1	ChEMBL_2266459	Inhibition of BACE1 (unknown origin) by HTRF assay
50018214	1	ChEMBL_2266495	Inhibition of full length human ALDH1A3 using propionaldehyde as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins in presence of NAD by luminescence microplate reader analysis
50041229	1	ChEMBL_199318 (CHEMBL805260)	The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay
50041230	1	ChEMBL_82003 (CHEMBL691869)	Inhibition of human umbilical vein endothelial cell adhesion to vitronectin
50041231	1	ChEMBL_85812 (CHEMBL878439)	Potency against histamine H1 receptor on guinea pig ileum
50018214	2	ChEMBL_2266496	Inhibition of human ALDH1A3 in human WM266-4 cells incubated for 60 mins using BODIPY-aminoacetaldehyde as substrate in presence of ALDEFLUOR assay buffer by Hoechst 33342 staining based cell Insight fluorescent microscopic anlaysis
50018214	3	ChEMBL_2266498	Inhibition of full length human ALDH1A2 using propionaldehyde as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins in presence of NAD by luminescence microplate reader analysis
50018215	1	ChEMBL_2266504	Allosteric inhibition of IRS1 peptide-activated human recombinant SHP2 (Met1 to Leu525) expressed in Escherichia coli assessed as inhibition of dephosphorylation of 6,8-difluoro-4-methylumbelliferyl phosphate using DiFMUP as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by DiFMUP assay
50018215	2	ChEMBL_2266505	Allosteric inhibition of SHP2 in human KYSE-520 cells assessed as inhibition of ERK phosphorylation incubated for 2 hrs by TR-FRET assay
50018215	3	ChEMBL_2266507	Binding affinity to N-terminal biotinylated AviTag-G4SG4S-tagged recombinant SHP2 (1 to 525 residues) (unknown origin) by SPR analysis
50018215	4	ChEMBL_2266525	Displacement of E-4031 from hERG by fluorescence polarization assay
50018217	1	ChEMBL_2266547	Inhibition of HSP90 (unknown origin)
50018218	1	ChEMBL_2266549	Inhibition of HDAC1 (unknown origin)
50018218	2	ChEMBL_2266550	Inhibition of HDAC2 (unknown origin)
50018218	3	ChEMBL_2266551	Inhibition of HDAC3 (unknown origin)
50018218	4	ChEMBL_2266552	Inhibition of HDAC4 (unknown origin)
50018218	5	ChEMBL_2266553	Inhibition of HDAC5 (unknown origin)
50041234	1	ChEMBL_1819 (CHEMBL616791)	Binding affinity at 5-hydroxytryptamine 1B receptor
50018218	6	ChEMBL_2266554	Inhibition of HDAC6 (unknown origin)
50018218	7	ChEMBL_2266555	Inhibition of HDAC7 (unknown origin)
50041239	1	ChEMBL_54290 (CHEMBL858267)	Inhibition of human dihydrofolate reductase (DHFR) enzyme
50041239	2	ChEMBL_53000 (CHEMBL858265)	Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii.
50041239	4	ChEMBL_54289 (CHEMBL666808)	Inhibition of human dihydrofolate reductase (DHFR)
50036399	3	ChEMBL_199192 (CHEMBL807120)	In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells
50041240	1	ChEMBL_1953 (CHEMBL617560)	Binding affinity for 5-hydroxytryptamine 1D receptor
50041240	2	ChEMBL_2786 (CHEMBL617855)	Binding affinity towards 5-hydroxytryptamine 2C receptor
50041240	3	ChEMBL_560 (CHEMBL615580)	Binding affinity for 5-hydroxytryptamine 1A receptor
50041240	4	ChEMBL_1400 (CHEMBL873475)	Binding affinity for 5-hydroxytryptamine 1B receptor
50041240	6	ChEMBL_2785 (CHEMBL873477)	Binding affinity for 5-hydroxytryptamine 2C receptor
50018218	8	ChEMBL_2266556	Inhibition of HDAC8 (unknown origin)
50018218	9	ChEMBL_2266557	Inhibition of HDAC9 (unknown origin)
50041241	1	ChEMBL_164095 (CHEMBL772609)	In vitro antagonistic activity against kinin-induced rabbit jugular vein contraction.
50018218	10	ChEMBL_2266558	Inhibition of HDAC10 (unknown origin)
50018218	11	ChEMBL_2266559	Inhibition of HDAC11 (unknown origin)
50006566	9	ChEMBL_219014 (CHEMBL818782)	Concentration required for the half-maximal inhibition of cAMP formation in BHK cells expressing mGluR4
50001522	1	ChEMBL_1726377 (CHEMBL4141655)	Antagonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin-induced IP1 accumulation preincubated for 30 mins followed by vasopressin addition measured after 1 hr by HTRF assay
50001522	2	ChEMBL_1726376 (CHEMBL4141654)	Agonist activity at human vasopressin V1a receptor expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assay
50001522	3	ChEMBL_1726372 (CHEMBL4141650)	Antagonist activity at human OTR expressed in HEK293 cells assessed as inhibition of agonist-induced IP1 accumulation preincubated for 30 mins followed by agonist addition measured after 1 hr by HTRF assay
50006566	18	ChEMBL_106233 (CHEMBL715059)	Concentration required for the half-maximal inhibition of cAMP formation in BHK cells expressing mGluR2.
50001522	4	ChEMBL_1726374 (CHEMBL4141652)	Displacement of [3H]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay
50001522	5	ChEMBL_1726375 (CHEMBL4141653)	Agonist activity at human OTR expressed in HEK293 cells assessed as induction of IP1 accumulation after 1 hr by HTRF assay
50006566	5	ChEMBL_219015 (CHEMBL818783)	Effective concentration of compound against forskolin-stimulated cAMP formation in BHK cells expressing mGluR2 receptor
50001522	6	ChEMBL_1726373 (CHEMBL4141651)	Displacement of [3H]-oxytocin from human OTR expressed in HEK293 cell membranes after 90 mins by radioligand binding assay
50036423	4	ChEMBL_196057 (CHEMBL803056)	Binding affinity towards ryanodine receptor in canine ventrical preparation
50006614	2	ChEMBL_54119 (CHEMBL668277)	Inhibitory concentration against dihydrofolate reductase (DHFR) enzyme isolated from CCRF-CEM human leukemia cells.
50041243	1	ChEMBL_2558 (CHEMBL875910)	Binding affinity for 5-HT 2A in rat stomach fundus
50041243	2	ChEMBL_2783 (CHEMBL617853)	Binding affinity towards 5-HT 2C receptor in rat stomach fundus
50041243	3	ChEMBL_2261 (CHEMBL858022)	Binding affinity analysed on 5-HT 2A human clone using [3H]ketanserin as radioligand
50041243	5	ChEMBL_2782 (CHEMBL858024)	Binding affinity analysed on 5-HT 2C in rat stomach fundus.
50041243	7	ChEMBL_2557 (CHEMBL858021)	Binding affinity analysed on 5-HT 2A in rat stomach fundus.
50001526	1	ChEMBL_1726379 (CHEMBL4141657)	Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence assay
50001526	2	ChEMBL_1726378 (CHEMBL4141656)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence assay
50001526	3	ChEMBL_1726381 (CHEMBL4141659)	Competitive inhibition of recombinant human MAO-B using kynuramine as substrate pre-incubated for 15 mins followed by 2 fold compound dilution for 24 hrs and subsequent substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50001549	1	ChEMBL_1726405 (CHEMBL4141683)	Inhibition of BChE (unknown origin) using thiocholine as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by Ellman's method
50001549	2	ChEMBL_1726404 (CHEMBL4141682)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by Ellman's method
50001553	1	ChEMBL_1726507 (CHEMBL4141785)	Displacement of [3H]-prazosin from rat alpha1A adrenergic receptor after 60 mins by scintillation counting analysis
50001564	1	ChEMBL_1726779 (CHEMBL4142057)	Inhibition of human beta-glucuronidase
50006749	4	ChEMBL_52400 (CHEMBL665904)	Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2
50006749	1	ChEMBL_52397 (CHEMBL665901)	Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1
50041245	1	ChEMBL_28756 (CHEMBL641020)	Inhibition against Acetylcholinesterase (AChE)
50041245	2	ChEMBL_29696 (CHEMBL636896)	Inhibition against Acetylcholinesterase (AChE)
50041245	3	ChEMBL_28928 (CHEMBL857056)	Inhibition against Acetylcholinesterase (AChE)
50018218	12	ChEMBL_2266560	Inhibition of human recombinant HDAC1 incubated for 17 hrs
50018218	13	ChEMBL_2266561	Inhibition of human recombinant HDAC2 incubated for 17 hrs
50018218	14	ChEMBL_2266562	Inhibition of human recombinant HDAC3 incubated for 17 hrs
50018218	15	ChEMBL_2266563	Inhibition of human recombinant HDAC4 incubated for 17 hrs
50018218	16	ChEMBL_2266564	Inhibition of human recombinant HDAC5 incubated for 17 hrs
50018218	17	ChEMBL_2266565	Inhibition of human recombinant HDAC6 incubated for 17 hrs
50041247	1	ChEMBL_214642 (CHEMBL819722)	Inhibition of alphaV-beta3 interaction with vitronectin
50041248	1	ChEMBL_2854 (CHEMBL617495)	Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293
50018218	18	ChEMBL_2266566	Inhibition of human recombinant HDAC7 incubated for 17 hrs
50018218	19	ChEMBL_2266567	Inhibition of human recombinant HDAC8 incubated for 17 hrs
50018218	20	ChEMBL_2266568	Inhibition of human recombinant HDAC9 incubated for 17 hrs
50018218	21	ChEMBL_2266569	Inhibition of human recombinant HDAC10 incubated for 17 hrs
50018218	22	ChEMBL_2266570	Inhibition of human recombinant HDAC11 incubated for 17 hrs
50018218	23	ChEMBL_2266571	Inhibition of human HDAC8 incubated for 90 mins by fluorescence assay
50018218	24	ChEMBL_2266572	Inhibition of HDAC (unknown origin)
50018218	25	ChEMBL_2266574	Inhibition of human HDAC1 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50018218	26	ChEMBL_2266575	Inhibition of human HDAC2 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50018218	27	ChEMBL_2266576	Inhibition of human HDAC8 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50006585	3	ChEMBL_83832 (CHEMBL690973)	Binding affinity against Histamine H3 receptor on Synaptosomes from rat cerebral cortex was evaluated
50006585	4	ChEMBL_84898 (CHEMBL694998)	Binding affinity against H2 receptor of Guinea pig atrium
50006585	5	ChEMBL_83437 (CHEMBL859310)	Binding affinity against H1 receptor of Guinea pig ileum
50006585	6	ChEMBL_85822 (CHEMBL697661)	Binding affinity against Histamine H3 receptor on Synaptosomes from rat cerebral cortex was evaluated
50001536	1	ChEMBL_1726952 (CHEMBL4142230)	Inhibition of aromatase (unknown origin) using O-benzyl fluorescein benzyl ester as substrate in presence of NADPH-generating system by fluorescence assay
50041250	1	ChEMBL_40445 (CHEMBL652384)	In vitro Bradykinin receptor B2 antagonist activity by using rat uterus functional assay
50018218	28	ChEMBL_2266577	Inhibition of human HDAC6 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50018218	29	ChEMBL_2266578	Inhibition of human HDAC10 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50018218	30	ChEMBL_2266580	Inhibition of human HDAC3 using FAM-labeled acetylated peptide as substrate incubated for 17 hrs by fluorescence based assay
50018218	31	ChEMBL_2266581	Inhibition of human full length recombinant HDAC1 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50006546	2	ChEMBL_192642 (CHEMBL798774)	Compound was tested for inhibition of stimulation of rat aortic smooth muscle cells (RSMC)
50041251	1	ChEMBL_66276 (CHEMBL857528)	Apparent inhibition constant of Wild-type human recombinant FK506 binding protein 12
50041252	1	ChEMBL_209984 (CHEMBL821265)	Inhibition of Thymidylate Synthase(TS) from mouse L1210 cells
50001551	1	ChEMBL_1727013 (CHEMBL4142291)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell lysates after 1 hr by gamma counting analysis
50036520	4	ChEMBL_82013 (CHEMBL691879)	Inhibition of human umbilical vein endothelial cells (HUVEC) attachment to vitronectin (VN)
50041254	1	ChEMBL_2254 (CHEMBL617198)	Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]ketanserin as radioligand
50041254	2	ChEMBL_1399 (CHEMBL616188)	Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]5-HT as radioligand
50041254	3	ChEMBL_559 (CHEMBL615579)	Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]8-OH-DPAT as radioligand
50041254	4	ChEMBL_1952 (CHEMBL617559)	Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]5-HT as radioligand
50041254	5	ChEMBL_2784 (CHEMBL617854)	Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]N-methyl-mesulergine as radioligand
50001552	1	ChEMBL_1727068 (CHEMBL4142346)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50001552	2	ChEMBL_1727067 (CHEMBL4142345)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50001552	3	ChEMBL_1727070 (CHEMBL4142348)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50001552	4	ChEMBL_1727069 (CHEMBL4142347)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50036536	5	ChEMBL_72858 (CHEMBL683955)	pA2 value against Glucagon Receptor
50018218	32	ChEMBL_2266582	Inhibition of human full length recombinant HDAC2 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50001556	1	ChEMBL_1727143 (CHEMBL4142421)	Inhibition of AChE (unknown origin) preincubated for 45 mins followed by ATCI substrate addition measured for 3 mins
50001562	1	ChEMBL_1727314 (CHEMBL4142592)	Inhibition of AChE in rat cortex homogenate using acetylthiocholine iodide as substrate after 20 mins by Ellman's method
50001562	2	ChEMBL_1727315 (CHEMBL4142593)	Inhibition of BuChE in rat serum using butyrylthiocholine iodide as substrate after 20 mins by Ellman's method
50001562	3	ChEMBL_1727317 (CHEMBL4142595)	Inhibition of recombinant human MAOA using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Amplex red reagent based fluorescence assay
50001562	4	ChEMBL_1727319 (CHEMBL4142597)	Inhibition of recombinant human MAOB using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Amplex red reagent based fluorescence assay
50001570	1	ChEMBL_1727506 (CHEMBL4142784)	Inhibition of recombinant human GST-tagged ALK expressed in baculovirus expression system by Z'LYTE assay
50001570	2	ChEMBL_1727507 (CHEMBL4142785)	Inhibition of recombinant human GST-tagged ROS1 expressed in baculovirus expression system by Z'LYTE assay
50041257	1	ChEMBL_35981 (CHEMBL646945)	Inhibition of angiotensin I converting enzyme in silico
50041259	1	ChEMBL_29849 (CHEMBL641238)	Inhibition acetylcholinesterase (AChE) enzyme.
50041259	2	ChEMBL_59428 (CHEMBL671831)	Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme
50041259	3	ChEMBL_36196 (CHEMBL649365)	Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)
50018218	33	ChEMBL_2266583	Inhibition of human recombinant HDAC3/NCOR2 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50006983	1	ChEMBL_196559 (CHEMBL801953)	In vitro inhibitory concentration against purified S-Adenosyl-homocysteine hydrolase isolated from murine L929 cells
50041261	1	ChEMBL_62439 (CHEMBL858764)	Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D3 expressed in CHO cells, expressed as 10log Ki
50007551	1	ChEMBL_3890 (CHEMBL619405)	5-lipoxygenase inhibitory activity determined by measuring the conversion of [14C]arachidonic acid to leukotrienes in RBL-2H3 cell using thin-layer chromatography.
50001570	3	ChEMBL_1727523 (CHEMBL4142801)	Inhibition of ALK (unknown origin) by radiometric assay
50001570	4	ChEMBL_1727524 (CHEMBL4142802)	Inhibition of ROS1 (unknown origin) by radiometric assay
50001579	1	ChEBML_1727667	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001579	2	ChEBML_1727668	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001579	4	ChEMBL_1727669 (CHEMBL4142947)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001579	5	ChEMBL_1727667 (CHEMBL4142945)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001579	3	ChEMBL_1727670 (CHEMBL4142948)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001579	6	ChEMBL_1727668 (CHEMBL4142946)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50036628	13	ChEMBL_216816 (CHEMBL816395)	Inhibitory activity measured against alpha-glucosidase of rice by colorimetric assay using the D-glucose oxidase-peroxidase method
50041263	2	ChEMBL_205388 (CHEMBL873471)	Binding affinity was measured against the Tachykinin receptor 1 in bovine retina using [3H]SP
50041263	3	ChEMBL_205895 (CHEMBL813807)	Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.
50041263	4	ChEMBL_205894 (CHEMBL813806)	Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [125I]Bolton-Hunter SP.
50018218	34	ChEMBL_2266584	Inhibition of human full length recombinant HDAC6 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50018218	35	ChEMBL_2266587	Inhibition of human HDAC1
50018218	36	ChEMBL_2266588	Inhibition of human HDAC6
50018218	37	ChEMBL_2266589	Inhibition of human HDAC8
50018219	1	ChEMBL_2266611	Inhibition of Escherichia coli DXR assessed as inhibition constant in presence of NADPH by spectrophotometric assay
50018219	2	ChEMBL_2266612	Inhibition of recombinant Escherichia coli DXR in presence of NADPH by microplate reader assay
50018219	3	ChEMBL_2266613	Inhibition of Mycobacterium tuberculosis DXR in presence of NADPH by spectrophotometric assay
50041264	1	ChEMBL_48330 (CHEMBL663319)	Relative binding affinity was measured for Cathepsin K
50001527	1	ChEMBL_1727758 (CHEMBL4143036)	Inhibition of porcine kidney CD13 using L-leucine-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins
50001527	2	ChEMBL_1727760 (CHEMBL4143038)	Inhibition of CD13 on surface of human PLC/PRF/5 cells using L-leucine-p-nitroanilide as substrate after 1 hr
50001527	3	ChEMBL_1727759 (CHEMBL4143037)	Inhibition of CD13 on surface of human ES2 cells using L-leucine-p-nitroanilide as substrate after 1 hr
50001550	1	ChEMBL_1727841 (CHEMBL4143119)	Binding affinity to human recombinant MD2 by SPR analysis
50001554	1	ChEMBL_1727859 (CHEMBL4143137)	Inhibition of eEF2K (unknown origin) using peptide MH-1 as substrate after 2 hrs by ADP-Glo luminescent assay
50001554	2	ChEMBL_1727899 (CHEMBL4143177)	Inhibition of recombinant rat GST-tagged eEF2K expressed in Escherichia coli BL21 (DE3) cells using yeast eEF2 as substrate preincubated for 30 mins followed by ATP/[gamma-32P]-ATP addition measured after 10 mins
50001554	3	ChEMBL_1727900 (CHEMBL4143178)	Inhibition of eEF2K in human A431 cells using eEF2 as substrate preincubated for 30 mins followed by ATP/[gamma-32P]-ATP addition measured after 10 mins
50041266	1	ChEMBL_142899 (CHEMBL748708)	The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain.
50041267	1	ChEMBL_105108 (CHEMBL856174)	Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.
50041267	2	ChEMBL_105109 (CHEMBL715952)	Binding affinity for melatonin 1A receptor was measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.
50041268	1	ChEMBL_48328 (CHEMBL663317)	Inhibitory activity measured against cathepsin K.
50041268	2	ChEMBL_152663 (CHEMBL761588)	Inhibitory activity measured against papain.
50018219	4	ChEMBL_2266614	Inhibition of recombinant Escherichia coli DXR in presence of NADPH
50018219	5	ChEMBL_2266615	Inhibition of Escherichia coli DXR assessed as inhibition constant pre-incubated for 2 mins in presence of NADPH by spectrophotometric assay
50018219	6	ChEMBL_2266616	Inhibition of Escherichia coli DXR
50018219	7	ChEMBL_2266620	Inhibition of His-tagged Escherichia coli DXR using DXP as substrate incubated for 1 min in presence of NADPH by UV-Vis spectrophotometric assay
50018221	1	ChEMBL_2266631	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50018222	1	ChEMBL_2266634	Agonist activity at human TLR2 transfected in HEK293 cells relative to control
50018222	2	ChEMBL_2266635	Agonist activity at human TLR2 transfected in HEK293 cells
50001554	4	ChEMBL_1727901 (CHEMBL4143179)	Inhibition of N-terminal GST-tagged recombinant human eEF2K expressed in Escherichia coli using biotinylated myelin basic protein as substrate after 45 mins in presence of [gamma-33P]-ATP by scintillation counting method
50001555	1	ChEMBL_1727918 (CHEMBL4143196)	Inhibition of human aromatase using androstenedione as substrate and NADPH preincubated for 24 hrs followed by substrate addition measured after 24 hrs by ELISA
50041270	1	ChEMBL_1034 (CHEMBL616235)	Compound was tested for binding affinity against human 5-hydroxytryptamine 1A receptor
50041270	2	ChEMBL_62596 (CHEMBL674273)	Compound was tested for binding affinity against human cloned Dopamine receptor D3
50041270	3	ChEMBL_1758 (CHEMBL616544)	Binding affinity for human 5-hydroxytryptamine 1D receptor
50041270	4	ChEMBL_33374 (CHEMBL648736)	Compound was tested for binding affinity against Alpha-2B adrenergic receptor (NG 108-15 cells) using [3H]RX-821002) as radioligand
50041270	5	ChEMBL_1383 (CHEMBL616455)	Binding affinity for human 5-hydroxytryptamine 1B receptor
50041270	6	ChEMBL_85510 (CHEMBL696491)	Compound was tested for binding affinity towards Histamine H2 receptor
50041270	7	ChEMBL_84251 (CHEMBL696939)	Compound was tested for binding affinity against Histamine H1 receptor.
50041270	8	ChEMBL_2538 (CHEMBL616888)	Binding affinity for human 5-hydroxytryptamine 2A receptor
50041270	9	ChEMBL_32295 (CHEMBL646242)	Compound was tested for binding affinity against Alpha-1B adrenergic receptor (rat liver, [3H] prazosin)
50041270	10	ChEMBL_37523 (CHEMBL647366)	Compound was tested for binding affinity against human cloned Beta-1 adrenergic receptor
50041270	11	ChEMBL_34175 (CHEMBL648414)	Compound was tested for binding affinity against Alpha-1A adrenergic receptor (rat submaxillary gland)
50041270	13	ChEMBL_2062 (CHEMBL616706)	Compound was tested for binding affinity against human 5-hydroxytryptamine 1E receptor
50041270	14	ChEMBL_2766 (CHEMBL617763)	Compound was tested for binding affinity against human 5-hydroxytryptamine 2C receptor
50041270	15	ChEMBL_33205 (CHEMBL643230)	Compound was tested for binding affinity against human cloned Alpha-2A adrenergic receptor
50041270	16	ChEMBL_138542 (CHEMBL746260)	Compound was tested for binding affinity against human cloned Muscarinic acetylcholine receptor M1
50041270	17	ChEMBL_60541 (CHEMBL674349)	Compound was tested for binding affinity against human cloned Dopamine receptor D2
50041270	18	ChEMBL_139889 (CHEMBL744476)	Compound was tested for binding affinity against human cloned Muscarinic acetylcholine receptor M2
50041270	19	ChEMBL_2092 (CHEMBL617128)	Compound was tested for binding affinity against human 5-hydroxytryptamine 1F receptor
50041270	20	ChEMBL_3317 (CHEMBL619017)	Compound was tested for binding affinity against piglet hippocampus 5-hydroxytryptamine 4 receptor
50008812	4	ChEMBL_41447 (CHEMBL654425)	Inhibition of binding of [125I]C5a to human polymorphonuclear leukocyte(PMN) C5a anaphylatoxin chemotactic receptor
50036738	3	ChEMBL_209198 (CHEMBL857059)	Inhibitory activity against human Tachykinin receptor 2
50036738	2	ChEMBL_143059 (CHEMBL750926)	Binding affinity towards NK-2 receptors using [3H]NKA as radioligand in cloned human CHO cells
50041273	1	ChEMBL_37807 (CHEMBL651182)	Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat ovary membranes
50041273	2	ChEMBL_37806 (CHEMBL651181)	Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of rat cerebral cortex membranes
50036760	3	ChEMBL_40442 (CHEMBL652381)	Binding affinity against rat bradykinin B2 receptors expressed in CHO cells using [3H]bradykinin as radioligand
50041274	1	ChEMBL_155111 (CHEMBL763685)	Inhibition of hematin polymerization
50009390	2	ChEMBL_199854 (CHEMBL804918)	In vitro inhibitory activity against Selectin E measured by sLex(static cell free ligand binding assay)
50009390	1	ChEMBL_199853 (CHEMBL804754)	In vitro inhibitory activity against Selectin E
50041275	1	ChEMBL_213233 (CHEMBL858270)	Inhibition of trypsin
50041275	2	ChEMBL_213234 (CHEMBL821444)	The compound was tested for inhibition of the proteolytic enzyme trypsin.
50009498	3	ChEMBL_211976 (CHEMBL878025)	The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots
50041276	2	ChEMBL_40139 (CHEMBL656133)	Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.
50041276	1	ChEMBL_40279 (CHEMBL653412)	Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitudinal smooth muscle.
50018222	3	ChEMBL_2266636	Agonist activity at TLR2 (unknown origin)
50018222	4	ChEMBL_2266638	Agonist activity at TLR2/TLR1 (unknown origin)
50018222	5	ChEMBL_2266639	Agonist activity at TLR2 in HEK-Blue hTLR2 cells
50018222	6	ChEMBL_2266640	Agonist activity at TLR2/TLR1 in human THP-1 cells
50008565	7	ChEMBL_103915 (CHEMBL711650)	Inhibition of EGF-dependent mouse keratinocyte MK cell proliferation
50009810	3	ChEMBL_209985 (CHEMBL821413)	Binding affinity against thymidylate synthase from L1210 mouse leukemia cells
50009810	4	ChEMBL_209987 (CHEMBL821415)	Compound was tested for the binding affinity against thymidylate synthase from L1210 mouse leukemia cells; value given as 2.4,1.8
50009810	2	ChEMBL_209993 (CHEMBL811640)	Affinity towards RFC measured by the inhibition of [3H]MTX uptake
50009810	5	ChEMBL_209986 (CHEMBL821414)	Compound was tested for the binding affinity against thymidylate synthase from L1210 mouse leukemia cells; value given as 0.9, 2.0
50041278	1	ChEMBL_42166 (CHEMBL655350)	Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.
50036808	3	ChEMBL_90580 (CHEMBL701164)	Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.
50009819	4	ChEMBL_213104 (CHEMBL815031)	DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)
50041279	1	ChEMBL_139918 (CHEMBL748586)	Inhibition of [3H]- N-methyl-scopolamine ([3H]NMS) dissociation from porcine cardiac M2-receptors
50041280	1	ChEMBL_143711 (CHEMBL756010)	In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using [3H]-cytisine as radioligand
50036824	2	ChEMBL_837277 (CHEMBL2075366)	TP_TRANSPORTER: inhibition of Calcein-AM efflux (Calcein-AM: 0.25 uM) in CEM/VLB100 cells
50036826	11	ChEMBL_106054 (CHEMBL718220)	Partial agonist potency against cloned Metabotropic glutamate receptor 2
50010076	2	ChEMBL_51550 (CHEMBL661224)	Binding affinity for human Cytochrome P450 2C9
50001557	1	ChEMBL_1727989 (CHEMBL4143267)	Inhibition of human GST-tagged c-MET using KKKSPGEYVNIEFG as substrate preincubated for 20 mins followed by [gamma-33P]ATP addition and measured after 2 hrs by filter-binding assay
50001557	2	ChEMBL_1728000 (CHEMBL4143278)	Inhibition of KDR (unknown origin)
50001559	1	ChEMBL_1728031 (CHEMBL4143309)	Inhibition of recombinant Pseudomonas aeruginosa PAK His6-tagged ExoS ADPRT domain expressed in Escherichia coli using human GST-fused vH-Ras as substrate measured over 30 mins in presence of 14.3.3beta and epsilonNAD+ by fluorescence assay
50001559	2	ChEMBL_1728033 (CHEMBL4143311)	Inhibition of Pseudomonas aeruginosa PAK secreted full length ExoS using human GST-fused vH-Ras as substrate preincubated for 10 mins followed by epsilonNAD+ addition measured at 30 mins in presence of 14.3.3beta and epsilonNAD+ by real-time fluorescent assay
50001560	1	ChEMBL_1728109 (CHEMBL4143387)	Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method
50001560	2	ChEMBL_1728110 (CHEMBL4143388)	Inhibition of human SGLT1 expressed in CHO cells assessed as reduction in [14C]AMG uptake after 1 hr by microbeta counting method
50010155	8	ChEMBL_46665 (CHEMBL658626)	Evaluated for the dissociation constant for the inhibition of caspase-3
50010155	9	ChEMBL_46842 (CHEMBL657310)	Evaluated for kinetic dissociation constant (kon) for the inhibition of caspase-7
50041282	1	ChEMBL_212206 (CHEMBL817769)	Inhibition of tubulin polymerization interacting at the colchicine binding site.
50041282	2	ChEMBL_212205 (CHEMBL817768)	Inhibition of tubulin polymerization interacting at the colchicine binding site
50041283	1	ChEMBL_216951 (CHEMBL823586)	Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor
50041283	2	ChEMBL_216952 (CHEMBL822770)	Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3
50041283	3	ChEMBL_216953 (CHEMBL822771)	Dissociation constant of radiolabeled compound binding to alpha-v-beta-3
50036871	1	ChEMBL_50320 (CHEMBL660789)	Inhibition of cyclin-dependent kinase 1
50036874	8	ChEMBL_50355 (CHEMBL662515)	Inhibition of Cytochrome P450 17 of human testicular microsomes at 25 uM progesterone
50036874	2	ChEMBL_86464 (CHEMBL697061)	Inhibition of Human P450 17 and NADPH-P450 reductase co-expressed in Escherichia coli with 25 uM progesterone
50010387	2	ChEMBL_105580 (CHEMBL710045)	Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells
50010387	1	ChEMBL_105582 (CHEMBL710047)	Inhibition of Quisqualate-Induced PI Hydrolysis Measured in CHO Metabotropic glutamate receptor 1 Expressing Cells
50010388	7	ChEMBL_50373 (CHEMBL661716)	Inhibition of Cytochrome P450 17 from rat testicular microsomes
50010388	3	ChEMBL_50365 (CHEMBL661708)	Binding affinity for Cytochrome P450 17 from human testicular microsomes
50010388	14	ChEMBL_205038 (CHEMBL812397)	Inhibition of Steroid 5-alpha-reductase type 2 isozyme
50036878	2	ChEMBL_79461 (CHEMBL694657)	Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay
50041285	1	ChEMBL_123580 (CHEMBL732300)	Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%
50041285	2	ChEMBL_124418 (CHEMBL733082)	Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%
50041285	3	ChEMBL_123579 (CHEMBL857185)	Compound was tested for its inhibitory effect on Monoamine oxidase A; no inhibition at maximum solubilitySD on IC50 values < 10%
50041288	1	ChEMBL_144891 (CHEMBL749964)	In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor
50041288	3	ChEMBL_144893 (CHEMBL750122)	In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor
50041288	4	ChEMBL_144892 (CHEMBL749965)	In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor
50041288	5	ChEMBL_144886 (CHEMBL749959)	In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor
50041288	7	ChEMBL_144888 (CHEMBL749961)	In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor
50036895	98	ChEMBL_152662 (CHEMBL761587)	The apparent binding affinity against Papain
50010336	74	ChEBML_1970626	Inhibition of recombinant human His-tagged CSF1R catalytic domain (538 to 910 residues) expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	75	ChEBML_1970627	Inhibition of recombinant full length human His-tagged CSK expressed in Escherichia coli expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	76	ChEBML_1970628	Inhibition of recombinant full length human GST-tagged CSNK1A1 expressed in baculovirus expression system using fluorophore-labeled serine/threonine-11 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	77	ChEBML_1970629	Inhibition of recombinant human full-length GST-tagged CSNK1D expressed in baculovirus expression system using FRET-labeled Ser/Thr 11 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50018222	7	ChEMBL_2266641	Agonist activity at TLR2/TLR1 in mouse Macrophage cell line
50009710	4	ChEMBL_60861 (CHEMBL673365)	in vitro inhibitory activity against Dual specificity protein phosphatase 3
50009710	3	ChEMBL_97146 (CHEMBL711894)	in vitro inhibitory activity against LAR
50009751	3	ChEMBL_99803 (CHEMBL710406)	Inhibition of IGF-II stimulated MCF-7 human breast tumor cell proliferation
50009751	4	ChEMBL_99802 (CHEMBL709834)	Inhibition of IGF-I stimulated MCF-7 human breast tumor cell proliferation
50036928	1	ChEMBL_51743 (CHEMBL666058)	Inhibition of cytochrome P450 2D6
50010831	10	ChEMBL_140788 (CHEMBL752777)	Agonist potency for the inhibition of Forskolin stimulated cAMP synthesis in cells expressing cloned Y2 receptors
50036932	2	ChEMBL_83467 (CHEMBL693938)	Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex
50041293	1	ChEMBL_143718 (CHEMBL753469)	Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2
50041293	2	ChEMBL_143717 (CHEMBL753468)	Inhibition of [3H]epibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex
50041293	3	ChEMBL_143720 (CHEMBL753471)	Non-specific binding in presence of 300 uM nicotine at nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex membranes
50041293	4	ChEMBL_143719 (CHEMBL753470)	Inhibition of [3H]pibatidine binding at the nicotinic acetylcholine receptor alpha4-beta2 in male rat cerebral cortex
50036953	12	ChEMBL_89920 (CHEMBL702337)	Inhibition of LPS-stimulated TNF-alpha release in human whole blood
50041296	1	ChEMBL_157693 (CHEMBL763870)	Inhibition of human Prostaglandin G/H synthase 2
50041297	1	ChEMBL_47858 (CHEMBL660105)	MHC class I HLA-A*0201 binding affinity assayed by based inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)
50041297	2	ChEMBL_47859 (CHEMBL660106)	Binding affinity towards class I MHC HLA-A*0201 was assessed based on the inhibition of binding of a radiolabeled standard peptide (FLPSDYFPSV)
50041298	1	ChEMBL_104886 (CHEMBL709184)	Binding affinity towards matrix metalloprotease-3
50036995	2	ChEMBL_71601 (CHEMBL689133)	Competitive antagonism of GnRH-induced response in the reporter gene assay
50041302	1	ChEMBL_101473 (CHEMBL712351)	In vitro inhibition of cytopathic effect was determined against HIV-2 ROD in MT-4 cells using MTS cytoprotection assay
50010779	12	ChEMBL_220713 (CHEMBL843658)	Inhibitory activity in human CCR2b receptor
50010779	11	ChEMBL_220711 (CHEMBL843656)	Inhibitory activity against [125I]-MIP-1 alpha binding to human CCR1 receptors.
50010779	7	ChEMBL_218697 (CHEMBL821483)	Inhibitory activity against I-Eotaxin alpha binding to mouse CCR3 receptors
50010779	1	ChEMBL_39627 (CHEMBL649934)	Inhibition of RANTES binding to C-C chemokine receptor type 5
50010779	3	ChEMBL_218694 (CHEMBL821480)	Inhibitory activity against 125 I -MIP-1 alpha binding to mouse CCR1 receptors
50010779	9	ChEMBL_220714 (CHEMBL843659)	Inhibitory activity against I-Eotaxin binding to human CCR3 receptors
50010779	6	ChEMBL_220716 (CHEMBL843661)	Inhibitory activity against Taer induced increase in intracellular [Ca2+] in KU812 cells expressing human CCR4 receptor
50041305	1	ChEMBL_218263 (CHEMBL819428)	Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction
50041305	2	ChEMBL_218265 (CHEMBL819430)	Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret detrusor
50041305	3	ChEMBL_218266 (CHEMBL819431)	Agonistic activity towards beta-3 adrenoceptor. EC50, the mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret detrusor
50041305	4	ChEMBL_218262 (CHEMBL820020)	Agonistic activity towards beta-2 adrenoceptor. IC50, the mean concentration required to produce 50% inhibition of uterine contraction
50037017	1	ChEMBL_147735 (CHEMBL755046)	Measure of Agonist Potency at human P2Y purinoceptor 11 (hP2Y11) stably expressed in 131N1 astrocytoma cell at 10 uM
50037017	2	ChEMBL_147872 (CHEMBL756883)	Measure of Agonist Potency at human P2Y purinoceptor 4 (hP2Y4) stably expressed in 131N1 astrocytoma cell
50037017	3	ChEMBL_147745 (CHEMBL753285)	Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell
50037017	4	ChEMBL_147579 (CHEMBL750157)	Measure of Agonist Potency at human P2Y purinoceptor 1 (hP2Y1) stably expressed in 131N1 astrocytoma cell
50037017	6	ChEMBL_147882 (CHEMBL757044)	Measure of Agonist Potency at human P2Y purinoceptor 6 (hP2Y6) stably expressed in 131N1 astrocytoma cell
50037017	7	ChEMBL_162518 (CHEMBL766764)	Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell
50018222	8	ChEMBL_2266642	Binding affinity to TLR2 (unknown origin)
50018223	1	ChEMBL_2266680	Inhibition of MMP9 (unknown origin)
50018223	2	ChEMBL_2266681	Inhibition of Keap1-Nrf2 (unknown origin)
50018224	1	ChEMBL_2266687	Noncompetitive inhibition of DES1 in human HGC-27 cell lysates assessed as inhibition constant
50018224	2	ChEMBL_2266688	Inhibition of SK1 (unknown origin)
50018224	3	ChEMBL_2266689	Inhibition of SK2 (unknown origin)
50018224	4	ChEMBL_2266690	Inhibition of rat liver microsome DES1 assessed as inhibition constant incubated for 20 mins in presence of NADH by liquid scintillation counter method
50018224	5	ChEMBL_2266691	Inhibition of rat liver microsome DES1 incubated for 20 min in presence of NADH by liquid scintillation counter method
50018224	6	ChEMBL_2266692	Inhibition of rat liver microsome DES1 incubated for 1 hr fluorescence based analysis
50018224	7	ChEMBL_2266693	Inhibition of DES1 in human HGC-27 cell lysates
50018224	8	ChEMBL_2266694	Binding affinity to DES1 in human HGC-27 cell lysates assessed as inhibition constant
50018224	9	ChEMBL_2266695	Inhibition of rat liver microsome DES1 using N-octanoylsphinganine as substrate incubated for 30 mins
50018224	10	ChEMBL_2266697	Inhibition of DES1 (unknown origin)
50018224	11	ChEMBL_2266699	Inhibition of CerS2 in HPAC cells using DHSph as substrate
50018224	12	ChEMBL_2266700	Competitive inhibition of CerS2 in HPAC cells using DHSph as substrate by LC/MS/MS analysis
50018224	13	ChEMBL_2266705	Inhibition of human CerS1
50018224	14	ChEMBL_2266706	Inhibition of mouse CerS1
50018224	15	ChEMBL_2266707	Inhibition of human CerS2
50018224	16	ChEMBL_2266708	Inhibition of mouse CerS2
50018224	17	ChEMBL_2266709	Inhibition of human CerS4
50018224	18	ChEMBL_2266710	Inhibition of mouse CerS5
50018224	19	ChEMBL_2266711	Inhibition of human CerS6
50018224	20	ChEMBL_2266712	Inhibition of aSMase (unknown origin) by fluorescence based analysis
50018224	21	ChEMBL_2266714	Inhibition of recombinant human aSMase assessed as inhibition constant
50018224	22	ChEMBL_2266719	Inhibition of aSMase (unknown origin)
50018224	23	ChEMBL_2266725	Inhibition of rat brain microsomes nSMase
50018224	24	ChEMBL_2266730	Inhibition of rat brain microsomes nSMase assessed as inhibition constant
50018224	25	ChEMBL_2266738	Inhibition of nSMase in human U-937 cells
50037022	3	ChEMBL_40284 (CHEMBL653416)	Antagonism of the [Ca2+] efflux actions of the human Bradykinin receptor B2 (SK-N-SH neuroblastoma)
50037022	4	ChEMBL_40437 (CHEMBL652376)	Inhibition of Bradykinin receptor B2-mediated contractions of rat uterus smooth muscle
50037022	5	ChEMBL_40438 (CHEMBL652377)	Inhibition of increase in [Ca2+] efflux from NG108-15 cells caused by activation of rat Bradykinin receptor B2
50037022	6	ChEMBL_40285 (CHEMBL653417)	Antagonism of the [Ca2+] efflux actions of the human Bradykinin receptor B2 (WI38 fibroblasts)
50037022	7	ChEMBL_40283 (CHEMBL653415)	Antagonism of the [Ca2+] efflux actions of human Bradykinin receptor B2 (WI38 fibroblasts)
50037022	8	ChEMBL_40282 (CHEMBL653414)	Antagonism of the [Ca2+] efflux actions of human Bradykinin receptor B2 (SK-N-SH neuroblastoma)
50037035	6	ChEMBL_106847 (CHEMBL714834)	Agonist activity of compound in mouse Melanocortin-3 receptor (mMC3R)
50037040	7	ChEMBL_106848 (CHEMBL714835)	Agonist activity of compound towards mouse Melanocortin-3 receptor (mMC3R)
50037040	8	ChEMBL_106849 (CHEMBL714836)	Agonist activity of compound towards mouse Melanocortin-3 receptor (mMC3R); partial agonist
50012154	2	ChEMBL_49996 (CHEMBL661336)	Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cells
50041311	1	ChEMBL_69813 (CHEMBL678910)	Direct activation of human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2
50041311	2	ChEMBL_69814 (CHEMBL678911)	Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2
50041312	1	ChEMBL_100268 (CHEMBL712011)	Agonist activity in transcriptional activation assay in MCF-7-2a cells compared to estradiol E2
50037048	5	ChEMBL_217814 (CHEMBL821721)	Ability to block the alphaV-beta3 integrin binding to vitronectin
50037055	6	ChEMBL_79532 (CHEMBL691013)	K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1
50037055	7	ChEMBL_79531 (CHEMBL877203)	K+ channel blocking activity in Chinese hamster ovary cells expressing HERG Kv11.1
50037055	8	ChEMBL_49075 (CHEMBL662305)	K+ channel blocking activity in Chinese hamster ovary cells expressing HERG Kv11.1
50037055	9	ChEMBL_49081 (CHEMBL875385)	K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1
50037055	10	ChEMBL_43805 (CHEMBL656375)	K+ channel blocking activity in COS-7 African green monkey kidney derived cells expressing HERG Kv11.1
50041315	1	ChEMBL_78584 (CHEMBL686035)	Effective concentration required to inhibit HIV-1 induced cytopathicity in CEM cell culture by 50%.
50041315	2	ChEMBL_78585 (CHEMBL686036)	Effective concentration required to inhibit HIV-1 induced cytopathicity in MT-4 cell culture by 50%.
50037058	6	ChEMBL_205559 (CHEMBL810513)	Inhibition of binding of [3H]SP to human Tachykinin receptor 1 expressed in mouse erythroleukemia cells
50037058	7	ChEMBL_209010 (CHEMBL813648)	Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells
50037059	4	ChEMBL_85344 (CHEMBL878299)	The compound was evaluated for pA2 at Histamine H2 receptor of guinea pig atrium
50037059	5	ChEMBL_84094 (CHEMBL695160)	Receptor profile was evaluated at Histamine H1 receptor of guinea pig ileum
50037059	6	ChEMBL_83478 (CHEMBL693949)	Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum
50037059	7	ChEMBL_83479 (CHEMBL694539)	Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum
50037059	8	ChEMBL_85343 (CHEMBL695017)	Receptor profile was evaluated at Histamine H2 receptor of guinea pig atrium
50037075	9	ChEMBL_223460 (CHEMBL844872)	Antagonist activity against progesterone receptor (PR) using PRE-luciferase plasmid co-transfected CV-1 cells
50037082	1	ChEMBL_69352 (CHEMBL677588)	Inhibitory activity against human formylpeptide receptor (FPR) of human leukemia HL-60 cells
50041319	1	ChEMBL_159436 (CHEMBL873459)	Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)
50041319	2	ChEMBL_157854 (CHEMBL879226)	Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
50041320	1	ChEMBL_157821 (CHEMBL858334)	Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)
50041324	1	ChEMBL_149254 (CHEMBL761317)	Inhibition of beta-hematin formation
50018224	26	ChEMBL_2266739	Inhibition of rat brain nSMase
50018224	27	ChEMBL_2266740	Inhibition of mouse nSMase
50018224	28	ChEMBL_2266741	Uncompetitive inhibition of nSMase2 (unknown origin) assessed as inhibition constant
50018224	29	ChEMBL_2266743	Inhibition of rat nSMase2
50018224	30	ChEMBL_2266744	Inhibition of human recombinant nSMase
50018224	31	ChEMBL_2266746	Inhibition of nSMase2 (unknown origin)
50018224	32	ChEMBL_2266747	Inhibition of AChe (unknown origin)
50018224	33	ChEMBL_2266748	Inhibition of Bacillus cereus SMaseC
50018224	34	ChEMBL_2266750	Competitive inhibition of Bacillus cereus SMaseC assessed as inhibition constant
50018225	1	ChEMBL_2266754	Inhibition of PDE1 (unknown origin)
50018225	2	ChEMBL_2266757	Inhibition of PDE1C (unknown origin)
50018225	3	ChEMBL_2266758	Inhibition of PDE9A (unknown origin)
50018225	4	ChEMBL_2266759	Inhibition of PDE1B (unknown origin)
50018225	5	ChEMBL_2266761	Inhibition of PDE10A (unknown origin)
50018225	6	ChEMBL_2266767	Inhibition of human recombinant PDE2A using cGMP as substrate
50018225	7	ChEMBL_2266768	Inhibition of human recombinant PDE2A using [3H]-cAMP as substrate incubated for 30 mins by radiometric based liquid scintillation analysis
50018225	8	ChEMBL_2266769	Inhibition of human recombinant PDE10A using [3H]-cAMP as substrate incubated for 30 mins by radiometric based liquid scintillation analysis
50041329	1	ChEMBL_45462 (CHEMBL657984)	In vitro inhibition of porcine carboxylesterase.
50041329	2	ChEMBL_45459 (CHEMBL657981)	In vitro inhibition of carboxylesterase in human liver microsomes.
50041329	3	ChEMBL_216226 (CHEMBL823860)	Inhibition of carboxylesterase in murine liver microsomes.
50041329	4	ChEMBL_92659 (CHEMBL877911)	In vitro inhibition of Trichoplusia Juvenile Hormone Esterase.
50037099	4	ChEMBL_147864 (CHEMBL755180)	Concentration required for 50% inhibition (racemic) at binding site of human P-Glycoprotein (P-gp) in one-affinity model
50037100	6	ChEMBL_50321 (CHEMBL660790)	In vitro inhibition of Cyclin-dependent kinase 1 (CDK-1) expressed in baculovirus
50041330	1	ChEMBL_88769 (CHEMBL857173)	Inhibitory activity against HIV-1 Integrase (HIV-1-IN)
50037110	3	ChEMBL_147586 (CHEMBL750164)	pA2 value was evaluated against P2Y purinoceptor 1
50018225	9	ChEMBL_2266771	Inhibition of PDE2A (unknown origin)
50018225	10	ChEMBL_2266772	Binding affinity to human recombinant full length PDE4B
50018225	11	ChEMBL_2266773	Inhibition of PDE4 (unknown origin)
50018225	12	ChEMBL_2266774	Inhibition of PDE4B (unknown origin)
50018225	13	ChEMBL_2266775	Displacement of [3H]-cAMP from full-length recombinant human PDE4B1 by fluorescence polarisation assay
50018225	14	ChEMBL_2266776	Displacement of [3H]-cAMP from full-length recombinant human PDE4D7 by fluorescence polarisation assay
50018225	15	ChEMBL_2266777	Inhibition of human recombinant PDE4B1 using FAM-cAMP as substrate incubated for 20 mins
50018225	16	ChEMBL_2266778	Inhibition of human C-terminal 6His-tagged PDE4D catalytic domain using cAMP as substrate
50018225	17	ChEMBL_2266779	Inhibition of human C-terminal 6His-tagged PDE4D3 using cAMP as substrate
50018225	18	ChEMBL_2266780	Inhibition of human PDE5A1 expressed in baculovirus in Sf9 insect cells
50018225	19	ChEMBL_2266781	Inhibition of PDE5A (unknown origin)
50018225	20	ChEMBL_2266782	Inhibition of HDAC1 (unknown origin)
50018225	21	ChEMBL_2266783	Inhibition of human recombinant PDE5A using (Fl)-cAMP and TAMRA-cGMP as substrate incubated for 60 mins by IMAP-fluorescence polarization assay
50018225	22	ChEMBL_2266784	Inhibition of PDE5A1 (unknown origin) using FAM-cGMP as substrate incubated for 60 mins by IMAP-fluorescence polarization assay
50018225	23	ChEMBL_2266785	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate incubated for 20 mins by DTNB-reagent based Ellman's method
50037121	19	ChEMBL_92632 (CHEMBL699858)	Inhibition of calcium release in Jurkat cells after T-cell receptor cross linking antibody treatment
50018225	24	ChEMBL_2266786	Inhibition of human PDE5A using FL-cGMP as substrate incubated for 1.5 hrs by IMAP-fluorescence polarization assay
50018225	25	ChEMBL_2266787	Inhibition of human PDE5A1 catalytic domain expressed in Escherichia coli using 3[H]-cGMP incubated for 15 mins by liquid scintillation counter analysis
50018225	26	ChEMBL_2266788	Inhibition of human recombinant PDE8A expressed in baculovirus infected Sf9 insect cells
50018225	27	ChEMBL_2266789	Inhibition of PDE8A (unknown origin)
50018225	28	ChEMBL_2266790	Inhibition of PDE8B (unknown origin)
50018225	29	ChEMBL_2266791	Inhibition of PDE8A (unknown origin) using cAMP as substrate incubated for 30 mins by Ba(OH)2 precipitation assay based scintillation counter
50018225	30	ChEMBL_2266792	Inhibition of PDE4A (unknown origin) using cAMP as substrate incubated for 30 mins by Ba(OH)2 precipitation assay based scintillation counter
50018225	31	ChEMBL_2266793	Inhibition of mouse PDE9A expressed in baculovirus infected Sf9 insect cells using 3[H]-cGMP as substrate incubated for 60 mins by scintillation proximity assay
50018225	32	ChEMBL_2266794	Inhibition of PDE9 (unknown origin) using 3[H]-cGMP as substrate incubated for 15 mins by liquid scintillation counter
50018225	33	ChEMBL_2266795	Inhibition of recombinant PDE9A (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50018225	34	ChEMBL_2266796	Inhibition of recombinant full length PDE1B in human myocardium using cAMP as substrate
50018226	1	ChEMBL_2266926	Inhibition of AChE (unknown origin)
50018226	2	ChEMBL_2266927	Inhibition of BChE (unknown origin)
50018226	3	ChEMBL_2266928	Inhibition of sirtuin 2 (unknown origin)
50018227	1	ChEMBL_2266976	Inhibition of EBP (unknown origin)
50037129	4	ChEMBL_38616 (CHEMBL650882)	Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus
50013291	2	ChEMBL_220127 (CHEMBL841411)	Concentration required to inhibit the PGD-2 evoked cAMP formation in human platelets
50013544	4	ChEMBL_153711 (CHEMBL759642)	In vitro effective concentration for agonist activity on rat Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected CHO-K1 cells
50013578	3	ChEMBL_3595 (CHEMBL618080)	Binding affinity towards mouse 5-hydroxytryptamine 5A receptor using LSD as radioligand
50018227	2	ChEMBL_2266977	Inhibition of DHCR7 (unknown origin)
50012796	3	ChEMBL_216364 (CHEMBL821260)	Inhibition of rat liver carnitine palmitoyltransferase I
50041344	1	ChEMBL_217950 (CHEMBL824070)	Inhibition of binding to alphaV-beta3 integrin
50041344	2	ChEMBL_217956 (CHEMBL824075)	Inhibition of binding to alphaV-beta3 integrin
50041344	3	ChEMBL_217957 (CHEMBL824076)	Inhibition of binding to alphaV-beta3 integrin
50041344	4	ChEMBL_217958 (CHEMBL824077)	Inhibition of binding to alphaV-beta3 integrin
50041345	1	ChEMBL_66876 (CHEMBL676067)	Inhibitory activity against epidermal growth factor receptor (EGFR)
50041345	2	ChEMBL_161600 (CHEMBL769140)	Inhibitory activity tested against protein kinase HER-2
50041345	3	ChEMBL_161604 (CHEMBL769144)	Inhibition of HER-2 ErbB2 receptor
50041345	4	ChEMBL_65256 (CHEMBL673947)	Inhibition of epidermal growth factor receptor (EGFR)
50041346	1	ChEMBL_162108 (CHEMBL767799)	Inhibitory activity determined against Protein tyrosine phosphatase PTB1B
50018227	3	ChEMBL_2266979	Inhibition of APC (303 to 739 residues) (unknown origin) preincubated for 60 mins followed by substrate addition and measured after 60 mins using Ac-GGGGEQLAINELISDGK-FITC as substrate by fluorescence polarization assay
50018227	4	ChEMBL_2266980	Inhibition of APC (303 to 739 residues) (unknown origin) assessed as inhibition constant preincubated for 60 mins followed by substrate addition and measured after 60 mins using Ac-GGGGEQLAINELISDGK-FITC as substrate by fluorescence polarization assay
50018227	5	ChEMBL_2266986	Inhibition of TNKS2 (unknown origin)
50018227	6	ChEMBL_2266987	Inhibition of TNKS1 (unknown origin)
50018227	7	ChEMBL_2267006	Inhibition of recombinant full length wild type human Flag-tagged USP7 expressed in human HEK293 cells using Ub-AMC as substrate by fluorometric assay
50018227	8	ChEMBL_2267052	Inhibition of human DNA polymerase beta by fluorescence anisotropy
50018227	9	ChEMBL_2267053	Inhibition of human DNA polymerase beta using 32P-labeled 63-mer F-DNA substrate preincubated for 5 mins followed by substrate addition and measured after 45 mins by autoradiography
50018228	1	ChEMBL_2267080	Inhibition of COX-1 (unknown origin) by colorimetric analysis
50018228	2	ChEMBL_2267081	Inhibition of COX-2 (unknown origin) by colorimetric analysis
50018228	3	ChEMBL_2267115	Inhibition of human recombinant COX-2 expressed in baculovirus infected Sf21 cells using arachidonic acid as substrate by spectrophotometric analysis
50041351	1	ChEMBL_215891 (CHEMBL820823)	In vitro inhibition of beta-hematin formation
50041351	2	ChEMBL_215890 (CHEMBL820822)	Inhibitory activity against beta-hematin formation
50037235	2	ChEMBL_51309 (CHEMBL665010)	Inhibition of Cyclin-dependent kinase 5 (CDK5)
50012950	9	ChEBML_78728	Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor
50001561	1	ChEMBL_1728190 (CHEMBL4143468)	Inhibition of IDO1 (unknown origin) after 60 mins
50001561	2	ChEMBL_1728177 (CHEMBL4143455)	Inhibition of IDO1 in IFNgamma and LPS-stimulated human dendritic cells co-cultured with human T cells assessed as inhibition of T-cell proliferation in presence of soluble anti-CD3 antibody and human recombinant IL-2 incubated for 2 days
50001561	3	ChEMBL_1728172 (CHEMBL4143450)	Inhibition of human IDO1 assessed as reduction in kynurenine production
50001561	4	ChEMBL_1728197 (CHEMBL4143475)	Inhibition of IDO1 in recombinant human IFNgamma and LPS-induced human THP1 assessed as reduction in kynurenine production incubated for 16 to 24 hrs by colorimtery
50001561	5	ChEMBL_1728193 (CHEMBL4143471)	Inhibition of IDO1 in human HeLa cells assessed as reduction in kynurenine production relative to control
50001561	6	ChEMBL_1728183 (CHEMBL4143461)	Inhibition of IDO1 in recombinant human IFNgamma and LPS-induced human leukocytes assessed as reduction in kynurenine production by LC-MS/MS method
50001561	7	ChEMBL_1728180 (CHEMBL4143458)	Inhibition of IDO1 in IFNgamma-stimulated human THP1 cells assessed as reduction in kynurenine productio by spectrophotometric analysis
50001561	8	ChEMBL_1728174 (CHEMBL4143452)	Inhibition of human IDO1 expressed in T-REx-293 cells
50001561	9	ChEMBL_1728189 (CHEMBL4143467)	Inhibition of human IDO2 using Trp as substrate after 90 mins by Bridge-IT tryptophan fluorescence assay
50001561	10	ChEMBL_1728198 (CHEMBL4143476)	Inhibition of IDO1 in recombinant human IFNgamma-induced human HeLa assessed as reduction in kynurenine production incubated for 16 to 24 hrs by colorimtery
50001561	11	ChEMBL_1728196 (CHEMBL4143474)	Inhibition of IDO1 in irradiated human SKOV3 cells co-cultured with human PBMCs assessed as rescue of T-cell proliferation by [3H]-thymidine incorporation assay
50041352	1	ChEMBL_35858 (CHEMBL652026)	Binding affinity towards antiestrogen binding site AEBS
50013042	2	ChEMBL_64976 (CHEMBL675561)	Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP
50001561	12	ChEMBL_1728195 (CHEMBL4143473)	Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production incubated fro 15 mins using L-Trp substrate
50001561	13	ChEMBL_1728194 (CHEMBL4143472)	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine production by spectraphotometric assay
50013042	4	ChEMBL_220754 (CHEMBL841914)	Inhibitory concentration against cap-dependent endonuclease activity of influenza B/Lee/40 RNP
50001561	14	ChEMBL_1728192 (CHEMBL4143470)	Inhibition of IDO1 in recombinant human IFNgamma and LPS-induced human HeLa assessed as reduction in kynurenine production incubated for 2 days by spectrophotometric analysis
50001561	15	ChEMBL_1728191 (CHEMBL4143469)	Inhibition of IDO1 in human HeLa cells assessed as reduction in kynurenine production
50001561	16	ChEMBL_1728188 (CHEMBL4143466)	Inhibition of human TDO using Trp as substrate after 90 mins by Bridge-IT tryptophan fluorescence assay
50001561	17	ChEMBL_1728182 (CHEMBL4143460)	Inhibition of human TDO expressed in T-REx-293 cells
50037244	13	ChEMBL_161440 (CHEMBL772574)	Inhibition of Protein kinase C related kinase 2 (PRK2)
50037244	17	ChEMBL_161618 (CHEMBL769158)	Inhibition of p38-regulated activated kinase (Protein kinase PRAK)
50018229	1	ChEMBL_2267117	Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells using d-erythro-sphingosine and [gamma-32P]ATP as substrate by liquid scintillation counting method
50018229	2	ChEMBL_2267118	Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells using d-erythro-sphingosine and [gamma-32P]ATP as substrate by liquid scintillation counting method
50018229	3	ChEMBL_2267119	Inhibition of recombinant human C-terminus His-tagged SphK1 expressed in baculovirus infected Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins followed by substrate addition in presence of ATP by caliper fluorescent assay
50018229	4	ChEMBL_2267120	Inhibition of recombinant human C-terminus His-tagged SphK2 expressed in baculovirus infected Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins followed by substrate addition in presence of ATP by caliper fluorescent assay
50018229	5	ChEMBL_2267121	Inhibition of SphK1 (unknown origin) assessed as inhibition constant
50037248	4	ChEMBL_83477 (CHEMBL693948)	Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum
50037248	5	ChEMBL_84093 (CHEMBL695159)	Potency at histamine H1 receptor subtype, was tested on guinea pig right ileum
50037248	6	ChEMBL_85342 (CHEMBL695016)	Potency at histamine H2 receptor subtype, was tested on guinea pig right atrium
50001561	18	ChEMBL_1728181 (CHEMBL4143459)	Inhibition of TDO (unknown origin)
50001561	19	ChEMBL_1728179 (CHEMBL4143457)	Inhibition of IDO1 in IFNgamma-stimulated human OCI-AML2 cells assessed as reduction in kynurenine production
50001561	20	ChEMBL_1728178 (CHEMBL4143456)	Inhibition of human IDO1 expressed in HEK293/MSR cells assessed as reduction in kynurenine production incubated fro 2 days
50037251	6	ChEMBL_838261 (CHEMBL2076209)	TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells
50001561	21	ChEMBL_1728175 (CHEMBL4143453)	Inhibition of IDO1 in human SKOV3 assessed as reduction in kynurenine production
50001561	22	ChEMBL_1728173 (CHEMBL4143451)	Inhibition of IDO1 in human HeLa assessed as reduction in kynurenine production
50018229	6	ChEMBL_2267122	Inhibition of SphK2 (unknown origin) assessed as inhibition constant
50018229	7	ChEMBL_2267123	Inhibition of recombinant human SphK1 expressed in Sf9 cells assessed as decrease in [33P]SIP production using d-erythro-sphingosine and [gamma-32P]ATP as substrate by scintillation counting method
50018229	8	ChEMBL_2267124	Inhibition of recombinant human SphK2 expressed in Sf9 cells assessed as decrease in [33P]SIP production using d-erythro-sphingosine and [gamma-32P]ATP as substrate by scintillation counting method
50018229	9	ChEMBL_2267125	Inhibition of recombinant mouse SphK1 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine and [gamma-32P]ATP as substrate incubated for 30 mins by liquid scintillation counting analysis
50018229	10	ChEMBL_2267126	Inhibition of recombinant mouse SphK2 expressed in baculovirus infected Sf9 cells using D-erythro-sphingosine and [gamma-32P]ATP as substrate incubated for 30 mins by liquid scintillation counting analysis
50018229	11	ChEMBL_2267127	Inhibition of recombinant SphK1 (unknown origin) using NBD-sphingosine as substrate in presence of ATP by fluorescence plate reader analysis
50018229	12	ChEMBL_2267128	Inhibition of recombinant SphK2 (unknown origin) using NBD-sphingosine as substrate in presence of ATP by fluorescence plate reader analysis
50018229	13	ChEMBL_2267129	Inhibition of SphK1 (unknown origin)
50018229	14	ChEMBL_2267130	Inhibition of SphK2 (unknown origin)
50018229	15	ChEMBL_2267131	Inhibition of SphK1 (unknown origin) using ATP as substrate preincubated for 40 mins followed by substrate addition and measured after 5 mins by spectrophotometric analysis
50018229	16	ChEMBL_2267132	Inhibition of SphK2 (unknown origin) using ATP as substrate preincubated for 40 mins followed by substrate addition and measured after 5 mins by spectrophotometric analysis
50018229	17	ChEMBL_2267133	Inhibition of recombinant GST-tagged SphK1 (unknown origin) (1 to 384 residues) expressed in baculovirus using sphingosine as substrate incubated for 1 hr in presence of ATP by electrophoretic mobility shift assay
50018229	18	ChEMBL_2267134	Inhibition of recombinant GST-tagged SphK2 (unknown origin) (1 to 618 residues) expressed in baculovirus using sphingosine as substrate incubated for 1 hr in presence of ATP by electrophoretic mobility shift assay
50018229	19	ChEMBL_2267135	Inhibition of SphK1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using ATP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by malachite green-based microtitre-plate assay
50018229	20	ChEMBL_2267136	Inhibition of SphK1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using ATP as substrate preincubated for 1 hrs followed by substrate addition and measured after 30 mins by malachite green-based microtitre-plate assay
50018230	1	ChEMBL_2267142	Inhibition of SARS-COV2 pseudotyped virus binding to human ACE2 expressed in HEK293T cells using CPRG as substrate incubated for 3 hrs followed by substrate addition measured after 1 hr by fusion assay
50018230	2	ChEMBL_2267143	Binding affinity to human recombinant ACE2 assessed as inhibition constant using fluorogenic peptide substrate VI incubated for 10 mins by fluorescence assay
50018230	3	ChEMBL_2267144	Inhibition of mouse ADAM17 expressed in HEK293 cells overexpressed with ACE2 assessed as inhibition of ACE2 shedding incubated for 65 mins in presence of PMA by immunoblotting assay
50018230	4	ChEMBL_2267145	Inhibition of human ACE2 expressed in baculovirus in Sf9 insect cells
50018230	5	ChEMBL_2267147	Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assay
50018230	6	ChEMBL_2267149	Inhibition of recombinant SARS-COV2 main protease using Mca-AVLQ-SGFR-Lys-NH2 as substrate by FRET based cleavage assay
50018230	7	ChEMBL_2267151	Inhibition of recombinant SARS-COV2 main protease
50037261	6	ChEMBL_41569 (CHEMBL655132)	Inhibitory activity towards mouse butyrylcholinesterase
50001561	23	ChEMBL_1728186 (CHEMBL4143464)	Inhibition of IDO1 (unknown origin) using D-tryptophan as substrate by spectrophotometric analysis
50001561	24	ChEMBL_1728184 (CHEMBL4143462)	Inhibition of IDO1 in mouse P815 Clone 12 cells assessed as reduction in kynurenine production incubated for 16 to 18 hrs
50037267	3	ChEMBL_51326 (CHEMBL663605)	Inhibition of Cyclin-dependent kinase 5-p35nck5a
50041361	1	ChEMBL_88770 (CHEMBL701802)	Inhibitory activity against 3' processing by HIV integrase
50041361	2	ChEMBL_88771 (CHEMBL701803)	Inhibitory activity against DNA strand transfer by HIV integrase
50041363	1	ChEMBL_100271 (CHEMBL712013)	Concentration required to activate luciferase expression in MCF-7-2a cells
50041365	1	ChEMBL_65923 (CHEMBL678318)	Inhibitory concentration towards rat mitochondrial F1F0 ATP hydrolase using a pyruvate kinase / lactate dehydrogenase system
50001561	25	ChEMBL_1728185 (CHEMBL4143463)	Inhibition of human IDO1 expressed in African green monkey COS1 cells
50001561	26	ChEMBL_1728187 (CHEMBL4143465)	Inhibition of human IDO1 using Trp as substrate after 90 mins by Bridge-IT tryptophan fluorescence assay
50001561	27	ChEMBL_1728176 (CHEMBL4143454)	Inhibition of IDO1 in human HT-29 assessed as reduction in kynurenine production
50001563	1	ChEBML_1728206	Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50001563	2	ChEBML_1728205	Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50037306	9	ChEMBL_106506 (CHEMBL715500)	Effective concentration against mouse melanocortin MC4 receptor
50037306	10	ChEMBL_106163 (CHEMBL857134)	Effective concentration against mouse Melanocortin 3 receptor
50037319	3	ChEMBL_162203 (CHEMBL766546)	Inhibitory activity of compound against human purine nucleoside phosphorylase (PNP)
50037320	14	ChEMBL_66422 (CHEMBL677279)	Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12)
50014985	2	ChEMBL_310155 (CHEMBL826580)	Antiviral activity against HIV protease in absence of human serum
50014985	3	ChEMBL_310123 (CHEMBL838105)	Antiviral activity against HIV protease
50037324	4	ChEMBL_311837 (CHEMBL834279)	Inhibition of [3H]taurocholate uptake in rat hepatocytes
50037324	3	ChEMBL_306509 (CHEMBL828114)	Inhibition of dexamethasone-induced GR-mediated tyrosine amino transferase activity in rat hepatocytes
50041369	1	ChEMBL_312080 (CHEMBL833992)	Inhibitory concentration against reuptake of 5-HT from rat synaptosomes
50041371	1	ChEMBL_304995 (CHEMBL877467)	Inhibition of alpha v beta 3 receptor binding
50041371	2	ChEMBL_305346 (CHEMBL832726)	Inhibition of binding to alpha v beta 3 receptor
50037335	2	ChEMBL_310565 (CHEMBL834139)	Efficacy for stimulation of prostanoid FP receptor-linked phosphoinositide turnover in Swiss 3T3 mouse fibroblast cells
50037338	4	ChEMBL_306347 (CHEMBL828166)	In vitro inhibitory activity against alpha v beta 3 vitronectin protein interaction was measured by ELISA
50037340	7	ChEMBL_302701 (CHEMBL876781)	Inhibitory constant against Zn-Cam (Methanosarcina thermophila)
50015230	2	ChEMBL_308817 (CHEMBL835142)	In vitro inhibition concentration required against triglyceride transfer of human Microsomal triglyceride transfer protein
50015255	6	ChEMBL_310433 (CHEMBL834059)	Effective concentration in CV-1 cell transactivation assay
50015280	6	ChEMBL_310145 (CHEMBL838124)	Inhibition of Ras farnesylation in H-Ras transformed NIH3T3 cells at 100 nM
50015288	2	ChEMBL_310494 (CHEMBL834068)	Inhibition of MCP-1 induced chemotaxis in THP-1 cells
50041373	1	ChEMBL_305202 (CHEMBL832456)	Inhibitory concentration against mouse fatty acid amide hydrolase
50015473	2	ChEMBL_312558 (CHEMBL834349)	Inhibition of palmitoyl-CoA oxidation in rat heart mitochondria
50016237	6	ChEMBL_312383 (CHEMBL833766)	Inhibitory concentration in CCR4-transfected murine pre-B L1.2 cells (chemotaxis assay)
50041376	1	ChEMBL_307245 (CHEMBL829152)	Inhibitory concentration against potassium channel HERG
50001563	3	ChEBML_1728207	Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50037393	3	ChEMBL_303488 (CHEMBL838862)	Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 in human HEK293 cells using [3H]- nicotine as radioligand
50041377	1	ChEMBL_310572 (CHEMBL834145)	Effective concentration to stimulate cAMP production in chinese hamster ovary cells expressing cloned human beta-3-adrenergic receptor
50041379	1	ChEMBL_304597 (CHEMBL828486)	Inhibition of yeast Hsp90 ATPase activity
50041381	1	ChEMBL_312386 (CHEMBL833769)	Inhibitory concentration against p21 deficient cell (p21-/-) proliferation
50041381	2	ChEMBL_312385 (CHEMBL833768)	Inhibitory concentration against human p21 deficient cell (p21+/+) proliferation
50041381	3	ChEMBL_312419 (CHEMBL832970)	Inhibitory concentration against human p21 proficient cell (p21+/+) proliferation
50041381	4	ChEMBL_305940 (CHEMBL833487)	Inhibitory concentration against human p21 deficient cell (p21-/-) proliferation
50041381	5	ChEMBL_305964 (CHEMBL832950)	Inhibitory concentration against human p21 proficient cell (p21+/+) proliferation
50041382	1	ChEMBL_308167 (CHEMBL834181)	Antiviral activity potency was assessed by measuring effect on the accumulation of viral RNA transcripts 3 days after infection of MT-2 cells with HIV-1RF
50018230	8	ChEMBL_2267166	Inhibition of human liver Cathepsin L using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay
50018230	9	ChEMBL_2267168	Inhibition of recombinant Cathepsin L (unknown origin) using Z-Phe-Arg-AMC as substrate by fluorometric assay
50018230	10	ChEMBL_2267169	Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as substrate incubated for 4 hrs by fluorometric assay
50018232	1	ChEMBL_2267233	Binding affinity to BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50018232	2	ChEMBL_2267234	Binding affinity to BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50018232	3	ChEMBL_2267236	Inhibition of 6-His tagged BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence anisotropy assay
50018232	4	ChEMBL_2267237	Inhibition of BRD4 BD2 (unknown origin) (333 to 460 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence anisotropy assay
50018232	5	ChEMBL_2267238	Inhibition of poly His-tagged BRD4 BD1 (unknown origin) (71 to 94 residues) by BROMOscan assay
50018232	6	ChEMBL_2267239	Inhibition of BRD4 BD1 (unknown origin)
50018232	7	ChEMBL_2267240	Inhibition of BRD4 BD2 (unknown origin)
50018232	8	ChEMBL_2267241	Inhibition of poly His-tagged BRD4 BD2 (unknown origin) (348 to 455 residues) by BROMOscan assay
50018232	9	ChEMBL_2267242	Inhibition of poly His-tagged BRD4 BD1 (unknown origin) (71 to 94 residues) by TR-FRET assay
50018232	10	ChEMBL_2267243	Inhibition of poly His-tagged BRD4 BD2 (unknown origin) (348 to 455 residues) by TR-FRET assay
50018232	11	ChEMBL_2267244	Inhibition of BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50018232	12	ChEMBL_2267245	Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay
50018232	13	ChEMBL_2267247	Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50041384	1	ChEMBL_307267 (CHEMBL875561)	Inhibitory concentration for Cyclooxygenase-2 (Prostaglandin G/H synthase 2) in human whole blood
50041384	2	ChEMBL_307266 (CHEMBL830845)	Inhibitory concentration for Cyclooxygenase-1 (Prostaglandin G/H synthase 1) in human whole blood
50041385	1	ChEMBL_310664 (CHEMBL838011)	Effect on outward potassium currents in whole-cell patch clamp assay of HEK 293 cells expressing cloned mouse KCNQ2 channel at -40 mV
50015595	5	ChEMBL_312709 (CHEMBL837992)	Inhibition of human androgen receptor of breast carcinoma MDA-453 cells in reporter gene assay
50041387	1	ChEMBL_307278 (CHEMBL831663)	Inhibition of transcriptional activation by human estrogen receptor alpha
50041387	2	ChEMBL_307276 (CHEMBL831661)	Inhibition of binding to human estrogen receptor alpha
50041387	3	ChEMBL_307277 (CHEMBL831662)	Inhibition of transcriptional activation by human estrogen receptor beta
50041387	4	ChEMBL_307274 (CHEMBL831659)	Inhibition of binding to human estrogen receptor beta
50015839	2	ChEMBL_312861 (CHEMBL874939)	Inhibition of glucagon induced cAMP accumulation in human glucagon receptor transfected CHO cells
50015935	2	ChEMBL_312368 (CHEMBL837481)	Inhibition of TNFalpha expression in U937 cells
50015935	3	ChEMBL_305922 (CHEMBL833469)	Inhibition of TNFalpha expression in U937 cells
50041388	1	ChEMBL_312698 (CHEMBL834018)	Inhibitory concentration against serotonin transporter protein (SERT) expressed in HEK293 cells
50041389	1	ChEMBL_310266 (CHEMBL833098)	In vivo effective concentration against human growth hormone secretagogues
50041389	2	ChEMBL_310274 (CHEMBL833105)	In vitro effective concentration against human growth hormone secretagogues
50016014	6	ChEMBL_305128 (CHEMBL832424)	Inhibitory concentration against matrix metalloprotease 14
50041391	1	ChEMBL_304732 (CHEMBL829332)	Inhibitory concentration against DNA topoisomerase II activity
50041391	2	ChEMBL_304714 (CHEMBL827155)	Inhibitory concentration against DNA topoisomerase I activity
50037440	3	ChEMBL_303090 (CHEMBL828762)	Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant
50016103	1	ChEMBL_304652 (CHEMBL827855)	Inhibitory activity against human Potassium channel HERG
50041392	1	ChEMBL_307378 (CHEMBL835392)	Binding affinity towards human dopamine receptor D2 was determined by using [3H]spiperone as radioligand
50041392	2	ChEMBL_307371 (CHEMBL835386)	Binding affinity of compound towards human dopamine receptor D4 was determined
50041392	3	ChEMBL_307374 (CHEMBL835389)	Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D2 was determined
50041392	4	ChEMBL_307373 (CHEMBL835388)	Binding affinity towards dopamine receptor D2 of rat striatal membrane was determined
50041392	5	ChEMBL_307376 (CHEMBL875566)	Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined
50041392	6	ChEMBL_307379 (CHEMBL835393)	Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand
50041392	7	ChEMBL_307366 (CHEMBL835264)	Ability of compound to inhibit dopamine uptake of receptor was determined
50041392	8	ChEMBL_307375 (CHEMBL835390)	Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D3 was determined
50041392	9	ChEMBL_307370 (CHEMBL835385)	Binding affinity towards human dopamine receptor D4 was determined
50041394	1	ChEMBL_304605 (CHEMBL877128)	Inhibitory concentration against alphaV-beta3 integrin
50015043	1	ChEMBL_305529 (CHEMBL828550)	Inhibitory activity against Gamma-secretase from APP-transfected CHO cells
50018232	14	ChEMBL_2267248	Inhibition of recombinant human BRD4 BD1 measured after 2 hrs by TR-FRET assay
50018232	15	ChEMBL_2267249	Inhibition of recombinant human BRD4 BD2 measured after 2 hrs by TR-FRET assay
50018232	16	ChEMBL_2267250	Inhibition of PARP1 (unknown origin) using NAD+ as substrate incubated for 60 mins by ELISA
50041396	1	ChEMBL_306120 (CHEMBL830070)	Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)
50041398	1	ChEMBL_837282 (CHEMBL2075371)	TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in KB/MDR cells
50015424	3	ChEMBL_306725 (CHEMBL831488)	Displacement of [125I]-hAGRP(87-132) from mouse Melanocortin 4 Receptor
50015424	2	ChEMBL_304141 (CHEMBL840257)	Agonistic activity against mouse Melanocortin 1 Receptor
50041400	1	ChEMBL_307261 (CHEMBL830840)	Concentration required for 50% inhibition of tyrosine phosphatase 1B
50018232	17	ChEMBL_2267251	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant
50018232	18	ChEMBL_2267252	Inhibition of PLK1 (unknown origin) by radiometric ATP-competitive kinase assay
50018232	19	ChEMBL_2267253	Inhibition of ALK (unknown origin) by radiometric ATP-competitive kinase assay
50018232	20	ChEMBL_2267254	Inhibition of BRD4 (unknown origin) by radiometric ATP-competitive kinase assay
50018232	21	ChEMBL_2267256	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by BROMOscan assay
50018232	22	ChEMBL_2267257	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by BROMOscan assay
50018232	23	ChEMBL_2267264	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by ITC analysis
50018232	24	ChEMBL_2267265	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant
50018232	25	ChEMBL_2267266	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant
50018232	26	ChEMBL_2267267	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by ITC analysis
50018236	1	ChEMBL_2267268	Inhibition of human GST-tagged LSD1 demethylase activity using H3K4 peptide as substrate by MALDI-TOF analysis
50018236	2	ChEMBL_2267269	Inhibition of human His-tagged LSD1(171 to 836 residues)/GST-tagged CoREST (308 to 440 residues) using H3K4 peptide as substrate by spectrophotometric analysis
50018236	3	ChEMBL_2267270	Inhibition of human LSD1 expressed in Escherichia coli using pLys4Met peptide as substrate by UV-visible spectrophotometric analysis
50041402	1	ChEMBL_307250 (CHEMBL829156)	Inhibitory concentration against DOXP reductoisomerase
50016349	2	ChEMBL_306800 (CHEMBL832385)	Inhibition of NGF-stimulated TrkA phosphorylation in NIH3T3 cells
50041403	2	ChEMBL_307548 (CHEMBL831261)	Effective concentration against human melanocortin receptor-3 expressed in 293 HEK cells
50041403	4	ChEMBL_307553 (CHEMBL831266)	Displacement of [125I]NDP-MSH from mouse melanocortin receptor-5 expressed in 293 HEK cells
50041403	5	ChEMBL_307552 (CHEMBL831265)	Displacement of [125I]NDP-MSH from human melanocortin receptor-4 expressed in 293 HEK cells
50001563	4	ChEMBL_1728207 (CHEMBL4143485)	Inhibition human recombinant GST-tagged Plk3 catalytic domain (58 to 340 residues) expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50037517	39	ChEMBL_304198 (CHEMBL830027)	Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2
50037517	40	ChEMBL_306141 (CHEMBL831376)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 3-5 nM
50037517	41	ChEMBL_305728 (CHEMBL829400)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2
50037517	42	ChEMBL_306298 (CHEMBL828590)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 0.3-1.5 nM
50037517	43	ChEMBL_305760 (CHEMBL827098)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2
50037517	44	ChEMBL_306279 (CHEMBL828422)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 0.3-1.5 nM
50037517	45	ChEMBL_306217 (CHEMBL874559)	Inhibitory concentration against Nicotinic acetylcholine receptor alpha4-beta2; Range is 0.5-8 nM
50016624	2	ChEMBL_313031 (CHEMBL835722)	Inhibition of CRF stimulated cAMP production in CHO cells expressing CRF1 receptor
50016624	3	ChEMBL_313026 (CHEMBL834969)	Inhibition of CRF stimulated cAMP production in CHO cells expressing CRF1 receptor
50037536	1	ChEMBL_305266 (CHEMBL832816)	Inhibitory concentration against human cytochrome P450 2A6
50041407	1	ChEMBL_312680 (CHEMBL833127)	Inhibition of human metastatic breast cancer (MDA-MB-435) cell proliferation
50001563	5	ChEMBL_1728205 (CHEMBL4143483)	Inhibition human recombinant full length GST-tagged Plk2 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50001563	6	ChEMBL_1728206 (CHEMBL4143484)	Inhibition human recombinant full length His-tagged Plk1 expressed in baculovirus expression system after 1 hr by FRET-based Z'-Lyte assay
50015861	6	ChEMBL_312674 (CHEMBL834821)	Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay
50015861	5	ChEMBL_303004 (CHEMBL830243)	Inhibition of [3H]-PGD-2 binding to human Prostaglandin D2 receptor
50015861	4	ChEMBL_313053 (CHEMBL835744)	Inhibition of beta-arrestin translocation at human chemoattractant receptor-homologous molecule expressed on TH2 cells in BRET assay
50015861	9	ChEMBL_312674 (CHEMBL834821)	Inhibition of beta-arrestin translocation at human Thromboxane A2 receptor in BRET assay
50015961	2	ChEMBL_312853 (CHEMBL874932)	In vitro inhibition of maximum response on CHO-K1 cells expressing human Follicle stimulating hormone receptor
50015961	3	ChEMBL_312970 (CHEMBL827483)	In vitro inhibition of maximum response evoked by cAMP on CHO-K1 cells expressing human Follicle stimulating hormone receptor
50015961	4	ChEMBL_310454 (CHEMBL833581)	Effective concentration for maximum response on CHO-K1 cells expressing human Follicle stimulating hormone receptor
50015979	1	ChEMBL_305660 (CHEMBL829517)	Inhibitory concentration against human immunodeficiency virus type 1 integrase
50016000	1	ChEMBL_306855 (CHEMBL828449)	Inhibition of eotaxin-induced chemotaxis of mouse eosinophils
50016000	23	ChEMBL_306893 (CHEMBL827845)	Inhibition of eotaxin-induced chemotaxis of Cynomolgus monkey eosinophils
50018236	4	ChEMBL_2267271	Inhibition of human GST-tagged LSD1/CoREST (305 to 482 residues) expressed in Escherichia coli using pLys4Met peptide as substrate by UV-visible spectrophotometric analysis
50041408	2	ChEMBL_304030 (CHEMBL840208)	Mean binding affinity for human H3 receptor
50018236	5	ChEMBL_2267272	Binding affinity to human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta 2 strain assessed as binding constant by SPR biosensor assay
50018236	6	ChEMBL_2267273	Inhibition of human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta 2 strain using H3K4me1 (1 to 21 residues) as substrate by Amplex Red reagent based fluorescence assay
50018236	7	ChEMBL_2267274	Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3K4me peptide as substrate by fluorescence polarization assay
50018236	8	ChEMBL_2267275	Inhibition of recombinant LSD1 (unknown origin)
50018236	9	ChEMBL_2267276	Inhibition of LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate incubated for 30 mins by Amplex Red reagent based fluorescence analysis
50018236	10	ChEMBL_2267277	Inhibition of LSD1 (unknown origin) using methylated histone H3K4 peptide as substrate by fluorescence analysis
50018236	11	ChEMBL_2267280	Inhibition of GST-tagged human LSD1 (2 to 852 residues) expressed in baculovirus using H3K4me2 as substrate by fluorescence analysis
50018236	12	ChEMBL_2267281	Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrate
50018236	13	ChEMBL_2267283	Inhibition of LSD1 (unknown origin) by fluorescence based microplate reader analysis
50018236	14	ChEMBL_2267287	Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrate incubated for 30 mins by Amplex Red reagent based fluorescence analysis
50018236	15	ChEMBL_2267296	Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA assay
50016071	2	ChEMBL_308168 (CHEMBL834971)	Inhibitory concentration against hepatitis C virus NS3 protease (IC50 spans 2.5 log units)
50041412	1	ChEMBL_302873 (CHEMBL828787)	Inhibition constant against ATP binding towards Hepatitis C Virus NS5BRdRp
50037580	5	ChEMBL_304138 (CHEMBL840255)	Effective concentration for mouse Melanocortin-4 receptor at 100 uM
50041415	1	ChEMBL_320712 (CHEMBL881698)	In vitro binding affinity towards Tat/TAR to determine interaction between TAR RNA and Tat peptide at room temperature using fluorescence spectrophotometer
50016554	2	ChEMBL_322421 (CHEMBL873543)	Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation
50041417	1	ChEMBL_321089 (CHEMBL883692)	Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand
50041417	2	ChEMBL_321087 (CHEMBL883690)	Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand
50041417	3	ChEMBL_321088 (CHEMBL883691)	Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand
50037598	2	ChEMBL_320951 (CHEMBL882470)	Binding affinity for human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]nicotine
50037598	3	ChEMBL_320975 (CHEMBL885382)	Binding affinity to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK 293 cells using [3H]alpha-bungarotoxin
50037598	4	ChEMBL_320971 (CHEMBL885378)	Binding affinity to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in IMR32 cells using [3H]alpha-bungarotoxin
50037598	5	ChEMBL_320954 (CHEMBL885361)	Binding affinity to human Nicotinic acetylcholine receptor alpha4-beta2 expressed in IMR32 cells using [3H]epibatidine
50016798	3	ChEMBL_321502 (CHEMBL880445)	Inhibitory concentration against glutamate uptake in oocytes expressing in human Excitatory amino acid transporter 2
50041418	1	ChEMBL_321080 (CHEMBL872160)	Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT
50041418	2	ChEMBL_321082 (CHEMBL872162)	Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin
50041418	3	ChEMBL_321084 (CHEMBL872164)	Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine
50041420	1	ChEMBL_321687 (CHEMBL872182)	Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)
50018236	16	ChEMBL_2267297	Inhibition of recombinant MAO-A (unknown origin) by Spectrometric analysis
50016789	1	ChEMBL_321537 (CHEMBL880597)	Inhibition of recombinant HIV-1 reverse transcriptase activity
50016849	2	ChEMBL_321698 (CHEMBL872321)	Logarithmic inhibitory concentration against human liver glycogen phosphorylase enzyme by the addition of glucose-1-phosphate and incubated for 40 min at 25 degree C, pH 7.2
50030164	1	ChEMBL_322135 (CHEMBL885194)	Effective concentration against US28-mediated inositol phosphate production in COS-7 cells
50018236	17	ChEMBL_2267298	Inhibition of recombinant MAO-B (unknown origin) by Spectrometric analysis
50018236	18	ChEMBL_2267299	Inhibition of LSD1 (unknown origin) demethylase activity using histone as substrate by fluorometric analysis
50018236	19	ChEMBL_2267300	Inhibition of LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) by fluorescence plate reader analysis
50018236	20	ChEMBL_2267301	Inhibition of recombinant MAO-A (unknown origin) by MAO-Glo assay
50018236	21	ChEMBL_2267302	Inhibition of recombinant MAO-B (unknown origin) by MAO-Glo assay
50018236	22	ChEMBL_2267305	Inhibition of LSD1 (unknown origin) by fluorescence analysis
50018236	23	ChEMBL_2267308	Inhibition of LSD1 (unknown origin)
50018238	1	ChEMBL_2267309	Inhibition of CDK6 (unknown origin) assessed as inhibition constant
50018238	2	ChEMBL_2267326	Inhibition of p110 alpha (unknown origin)
50018238	3	ChEMBL_2267327	Inhibition of CDK4 (unknown origin) assessed as inhibition constant
50018238	4	ChEMBL_2267328	Inhibition of CDK2 (unknown origin) assessed as inhibition constant
50018238	5	ChEMBL_2267329	Inhibition of human DYRK2
50018238	6	ChEMBL_2267330	Inhibition of human MCL1
50018238	7	ChEMBL_2267331	Inhibition of p110 beta (unknown origin)
50018238	8	ChEMBL_2267332	Inhibition of p110 delta (unknown origin)
50018238	9	ChEMBL_2267333	Inhibition of p110 gamma (unknown origin)
50018238	10	ChEMBL_2267334	Inhibition of human Akt1 by western blot assay
50018238	11	ChEMBL_2267335	Inhibition of human Akt2 by western blot assay
50015819	50	ChEMBL_325005 (CHEMBL860641)	Average Binding Constant for MAP3K4; NA=Not Active at 10 uM
50015819	80	ChEMBL_325021 (CHEMBL860655)	Average Binding Constant for CAMKK2; NA=Not Active at 10 uM
50015819	110	ChEMBL_325009 (CHEMBL859487)	Average Binding Constant for STK17A; NA=Not Active at 10 uM
50015819	63	ChEMBL_325088 (CHEMBL860905)	Average Binding Constant for SYK; NA=Not Active at 10 uM
50001565	1	ChEMBL_1728272 (CHEMBL4143550)	Inhibition of full length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50015819	47	ChEMBL_325050 (CHEMBL860786)	Average Binding Constant for AAK1; NA=Not Active at 10 uM
50001565	2	ChEMBL_1728274 (CHEMBL4143552)	Inhibition of C-terminal His-tagged recombinant human HDAC8 (1 to 377 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50015819	93	ChEMBL_325114 (CHEMBL861046)	Average Binding Constant for PAK1; NA=Not Active at 10 uM
50015819	92	ChEMBL_325115 (CHEMBL861047)	Average Binding Constant for PKMYT1; NA=Not Active at 10 uM
50037631	2	ChEMBL_325767 (CHEMBL863347)	Displacement of [125I]-echistatin from alphavbeta3 integrin receptor
50017129	2	ChEMBL_325792 (CHEMBL862698)	Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate
50017129	5	ChEMBL_325809 (CHEMBL859746)	Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate
50001565	3	ChEMBL_1728277 (CHEMBL4143555)	Inhibition of N-terminal GST-tagged human HDAC7 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50037637	6	ChEMBL_326551 (CHEMBL859750)	Inhibitory activity against cytochrome P450 2C19 isoform
50037637	7	ChEMBL_326550 (CHEMBL864490)	Inhibitory activity against cytochrome P450 2C9 isoform
50016946	3	ChEMBL_326944 (CHEMBL853288)	Antagonistic activity at TLR in human PBMC
50001565	4	ChEMBL_1728279 (CHEMBL4143557)	Inhibition of N-terminal GST-tagged human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50001565	5	ChEMBL_1728271 (CHEMBL4143549)	Inhibition of C-terminal FLAG/His-tagged full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50018238	12	ChEMBL_2267336	Inhibition of human Akt3 by western blot assay
50018238	13	ChEMBL_2267337	Inhibition of human mTOR by western blot assay
50018238	14	ChEMBL_2267338	Inhibition of MEK1 (unknown origin)
50018238	15	ChEMBL_2267341	Inhibition of PARP1 (unknown origin) assessed as inhibition constant
50018238	16	ChEMBL_2267342	Inhibition of PARP2 (unknown origin) assessed as inhibition constant
50018238	17	ChEMBL_2267343	Inhibition of PARP1 (unknown origin)
50018238	18	ChEMBL_2267344	Inhibition of PARP2 (unknown origin)
50018238	19	ChEMBL_2267345	Inhibition of human recombinant PARP1 incubated for 60 mins by PARP assay kit method
50018238	20	ChEMBL_2267347	Inhibition of human JAK1 by western blot assay
50018238	21	ChEMBL_2267348	Inhibition of human JAK2 by western blot assay
50018238	22	ChEMBL_2267360	Inhibition of human SRC by microplate reader analysis
50018238	23	ChEMBL_2267361	Inhibition of human SRC by western blot assay
50018238	24	ChEMBL_2267362	Agonist activity at human GST-tagged ULK1 incubated for 20 mins by western blot assay
50018238	25	ChEMBL_2267365	Inhibition of eEF2K (unknown origin) by western blot analysis
50018238	26	ChEMBL_2267366	Inhibition of BET (unknown origin)
50018238	27	ChEMBL_2267371	Inhibition of human TTK by TR-FRET assay
50018238	28	ChEMBL_2267373	Inhibition of human IL-8 by ELISA assay
50018238	29	ChEMBL_2267384	Inhibition of human SMYD2 by western blot assay
50041426	1	ChEMBL_328025 (CHEMBL863915)	Inhibition of 1-monooleoyl glycerol induced beta-hematin formation
50016917	23	ChEMBL_328618 (CHEMBL863867)	Inhibition of TCR stimulated IL2 production in mice administered orally
50018238	30	ChEMBL_2267394	Inhibition of human gamma secretase by western blot assay
50018238	31	ChEMBL_2267395	Inhibition of CDK2 (unknown origin) by western blot assay
50017022	4	ChEMBL_329791 (CHEMBL853261)	Reduction of viral RNA and protein in Huh7 cells containing HCV sub-genomic replicon
50041429	1	ChEMBL_330270 (CHEMBL862098)	Binding affinity to recombinant human adenosine A2B receptor
50041429	2	ChEMBL_330277 (CHEMBL853019)	Binding affinity to recombinant human adenosine A3 receptor
50018238	32	ChEMBL_2267396	Inhibition of CDK1 (unknown origin) by western blot assay
50041429	4	ChEMBL_330271 (CHEMBL862097)	Binding affinity to recombinant human adenosine A2A receptor
50018238	33	ChEMBL_2267397	Inhibition of CDK4 (unknown origin) by western blot assay
50041429	6	ChEMBL_330276 (CHEMBL853018)	Binding affinity to recombinant human adenosine A1 receptor
50018238	34	ChEMBL_2267398	Inhibition of human CDK4 incubated for 18 hrs by microscopic analysis
50018238	35	ChEMBL_2267399	Inhibition of human CDK6 incubated for 18 hrs by microscopic analysis
50018238	36	ChEMBL_2267400	Inhibition of human TXN incubated for 30 mins by fluorescence based plate reader analysis
50018238	37	ChEMBL_2267406	Inhibition of human EGFR
50018238	38	ChEMBL_2267407	Inhibition of human ErbB2
50041429	9	ChEMBL_330281 (CHEMBL853541)	Binding affinity to rat adenosine A2A receptor
50041429	10	ChEMBL_330282 (CHEMBL853542)	Binding affinity to rat adenosine A1 receptor
50018238	39	ChEMBL_2267415	Inhibition of human SRC incubated for 40 mins by scintillation counter analysis
50018238	40	ChEMBL_2267416	Inhibition of human VEGFR2 incubated for 40 mins by scintillation counter analysis
50018238	41	ChEMBL_2267417	Inhibition of human BRAF incubated for 40 mins by scintillation counter analysis
50018238	42	ChEMBL_2267418	Inhibition of human CRAF incubated for 40 mins by scintillation counter analysis
50018238	43	ChEMBL_2267427	Inhibition of human cdc7 incubation of 30 mins in presence of ATP
50018238	44	ChEMBL_2267428	Inhibition of human CDK9 incubation of 30 mins in presence of ATP
50018238	45	ChEMBL_2267430	Inhibition of human Aurora A kinase expressed in MDA-MB-468 cells
50018238	46	ChEMBL_2267431	Inhibition of human Aurora B kinase expressed in MDA-MB-468 cells
50018238	47	ChEMBL_2267432	Inhibition of human Aurora B kinase expressed in SUM149 cells
50018238	48	ChEMBL_2267433	Inhibition of human Aurora B kinase expressed in MDA-MB-231 cells
50018238	49	ChEMBL_2267434	Inhibition of human IGF1R expressed in MDA-MB-468 cells
50018238	50	ChEMBL_2267435	Inhibition of human IGF1R expressed in SUM149 cells
50018239	1	ChEMBL_2267441	Inhibition of SGLT2 (unknown origin)
50018239	2	ChEMBL_2267442	Inhibition of SGLT1 (unknown origin)
50018240	1	ChEMBL_2267446	Binding affinity to TNKS2 (unknown origin) assessed as inhibition constant
50017395	10	ChEMBL_330652 (CHEMBL867030)	Inhibition of HCV RNA replication in Huh7 cells
50041430	1	ChEMBL_334023 (CHEMBL866429)	Inhibition of soybean lipoxygenase
50018240	2	ChEMBL_2267459	Inhibition of mouse STF3A
50018240	3	ChEMBL_2267465	Binding affinity to TNKS1 (unknown origin)
50018240	4	ChEMBL_2267466	Binding affinity to TNKS2 (unknown origin)
50018240	5	ChEMBL_2267467	Binding affinity to recombinant PARP1 (unknown origin) assessed as dissociation constant
50018240	6	ChEMBL_2267468	Inhibition of TNKS1 (unknown origin)
50018240	7	ChEMBL_2267469	Inhibition of TNKS2 (unknown origin)
50041432	1	ChEMBL_334626 (CHEMBL866405)	Displacement of [3H]epibatidine from alpha-4-beta-2 ACHR
50018240	8	ChEMBL_2267470	Inhibition of PARP1 (unknown origin)
50018240	9	ChEMBL_2267471	Inhibition of PARP2 (unknown origin)
50018240	10	ChEMBL_2267473	Inhibition of human TNKS1 (1030 to 1317 residues) measured after 20 hrs
50018240	11	ChEMBL_2267474	Inhibition of human TNKS2 (873 to 1162 residues) measured after 15 hrs in presence of NAD+ by fluorescence assay
50018240	12	ChEMBL_2267475	Inhibition of human recombinant PARP1 incubated for 30 mins in the presence of NAD
50017540	10	ChEMBL_337078 (CHEMBL864362)	Inhibition of replication of HCV 1b BK RNA in Huh7 cells
50017199	3	ChEMBL_338350 (CHEMBL865335)	Efficacy against TRAF-beta-1 reporter cells
50017199	4	ChEMBL_338348 (CHEMBL865333)	Efficacy against TRAF-alpha-1 reporter cells
50041437	1	ChEMBL_338653 (CHEMBL867199)	Inhibition of induction of NF-kappaB by LPS in HEK293 cells co-transfected with TLR4, CD14 and MD2
50017600	7	ChEMBL_338785 (CHEMBL859207)	Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
50017600	8	ChEMBL_338786 (CHEMBL859209)	Inhibition of replication of R5 HIV1 Ba-L in MOLT4/CCR5 cells
50001565	6	ChEMBL_1728278 (CHEMBL4143556)	Inhibition of C-terminal His-tagged recombinant human HDAC9 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50018240	13	ChEMBL_2267476	Inhibition of PARP2 (unknown origin) using NAD as substrate incubated for 1 min
50018240	14	ChEMBL_2267478	Inhibition of IMPDH2 (unknown origin)
50018240	15	ChEMBL_2267491	Inhibition of Wnt in human HEK293 cells assessed as reduction in STF expression at 1 to 3 uM by Western blot analysis
50018240	16	ChEMBL_2267492	Inhibition of TNKS1 (unknown origin) using biotin-NAD+ as substrate at 3 uM incubated for 1 hr by ELISA relative to control
50018240	17	ChEMBL_2267493	Inhibition of TNKS2 (unknown origin) using biotin-NAD+ as substrate at 5 uM incubated for 1 hr by ELISA relative to control
50017355	5	ChEMBL_339183 (CHEMBL867739)	Inhibition of LPS-stimulated TNF production in THP cells at 1 uM
50041439	1	ChEMBL_339267 (CHEMBL867222)	Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells
50041440	1	ChEMBL_341692 (CHEMBL861403)	Cytotoxicity against HEK293 cells transfected with recombinant AOR by MTT assay
50018240	18	ChEMBL_2267496	Inhibition of ST (unknown origin)
50018240	19	ChEMBL_2267501	Inhibition of human recombinant TNKS2
50018240	20	ChEMBL_2267504	Binding affinity to human TNKS2 ARC4 assessed as dissociation constant
50018240	21	ChEMBL_2267505	Binding affinity to beta catenin/N-terminal His-tagged Tcf-4 (unknown origin) assessed as dissociation constant
50018240	22	ChEMBL_2267506	Inhibition of beta catenin (unknown origin)
50018240	23	ChEMBL_2267509	Binding affinity to beta catenin (unknown origin) assessed as dissociation constant by VP-ITC method
50018240	24	ChEMBL_2267510	Binding affinity to human full length beta catenin expressed in Escherichia coli (BL21) DE3 assessed as dissociation constant by fluorescence based analysis
50018240	25	ChEMBL_2267513	Binding affinity to beta catenin (unknown origin) assessed as inhibition constant by alpha screen assay
50018240	26	ChEMBL_2267516	Inhibition of beta catenin/Tcf4 (unknown origin) protein protein interaction measured after 24 hrs by TOP-flash luciferase reporter gene assay
50018240	27	ChEMBL_2267517	Inhibition of beta-catenin/Tcf4 (unknown origin) in human SW480 cells assessed as reduction in cyclin D1 level qRT-PCR analysis
50018240	28	ChEMBL_2267518	Binding affinity to human beta catenin assessed as dissociation constant
50041442	1	ChEMBL_342686 (CHEMBL861389)	Displacement of [125I]echistatin from AlphaV-beta-3 integrin receptor
50041443	1	ChEMBL_343179 (CHEMBL861017)	Antagonist activity assessed by differentiation of 1,25-D3-induced HL60 cells
50041444	1	ChEMBL_343928 (CHEMBL869521)	Affinity to alpha-4-beta-2 AChR
50017419	5	ChEMBL_345620 (CHEMBL860689)	Inhibition of HCV RNA replication in Huh5-2 cells after 48 hrs
50018240	29	ChEMBL_2267519	Inhibition of JAK/STAT (unknown origin)
50018240	30	ChEMBL_2267524	Binding affinity to human beta catenin double mutant assessed as dissociation constant by alpha assay
50018240	31	ChEMBL_2267525	Binding affinity to beta catenin (unknown origin) to BCL assessed as inhibition constant by alpha screening assay
50017459	10	ChEMBL_350088 (CHEMBL865069)	Inhibition of beta-amyloid peptide production in CHO N9 cell line
50017493	2	ChEMBL_350436 (CHEMBL861673)	Inhibition of anti-CD3 antibody-induced IL2 production in human jurkat T cells
50017493	3	ChEMBL_350443 (CHEMBL861681)	Inhibition of anti-CD3 antibody-induced IL2 production in human PBMC
50017512	3	ChEMBL_350561 (CHEMBL868994)	Inhibition of TARC-mediated CEM cell migration
50018240	32	ChEMBL_2267534	Inhibition of FLT3 (unknown origin)
50018240	33	ChEMBL_2267535	Inhibition of JAK3 (unknown origin)
50018242	1	ChEMBL_2267540	Agonist activity at GPR40 (unknown origin)
50018242	2	ChEMBL_2267541	Agonist activity at GPR120 (unknown origin)
50018242	3	ChEMBL_2267542	Agonist activity at human GPR120 expressed in HEK293 cells assessed as calcium accumulation
50018242	4	ChEMBL_2267543	Agonist activity at human GPR120 expressed in HEK293 cells by beta-arrestin assay
50018242	5	ChEMBL_2267544	Agonist activity at human GPR120 expressed in CHO-K1 cells assessed as calcium accumulation
50018242	6	ChEMBL_2267545	Agonist activity at human GPR120 expressed in CHO-K1 cells by beta-arrestin assay
50018242	7	ChEMBL_2267546	Agonist activity at human GPR120 expressed in CHO-K1 cells assessed as cAMP accumulation
50018242	8	ChEMBL_2267548	Agonist activity at human GPR120 expressed in CHO-K1 cells by BRET assay
50018243	1	ChEMBL_2267549	Inhibition of CDK1/Cyclin B (unknown origin) in presence of gamma32P-ATP by scintillation counter analysis
50017486	2	ChEMBL_351512 (CHEMBL870071)	Antiviral activity against Hepatitis C virus replicon in Huh7 cells
50017446	3	ChEMBL_351709 (CHEMBL870098)	Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte
50017742	2	ChEMBL_351943 (CHEMBL870789)	Inhibition of membrane fusion between HIV1 JR-FL Env-expressing COS7 cells and MOLT4/CCR5
50017561	5	ChEMBL_354055 (CHEMBL870009)	Inhibition of LPS/interferon gamma-stimulated TNFalpha release from HPBMC
50041447	1	ChEMBL_355795 (CHEMBL861143)	Inhibition of beta tryptase
50041447	2	ChEMBL_355798 (CHEMBL861146)	Inhibition of plasmin
50041447	3	ChEMBL_355797 (CHEMBL861145)	Inhibition of thrombin
50017840	6	ChEMBL_356310 (CHEMBL868187)	Cytotoxicity against human Huh7 cell line containing HCV genotype 1b replicon
50041448	1	ChEMBL_357500 (CHEMBL866963)	Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line
50041449	1	ChEMBL_360259 (CHEMBL860084)	Intrinsic activity at human alpha-4-beta-2 nACHR in SH-EP1 cells relative to ACh
50041450	1	ChEMBL_362085 (CHEMBL863123)	Inhibition of adhesion of K562 cells expressing alphaVbeta3 integrin receptor to vitronectin
50017917	8	ChEMBL_362617 (CHEMBL853227)	Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact C2C12 cells
50001565	7	ChEMBL_1728275 (CHEMBL4143553)	Inhibition of N-terminal GST/C-terminal His-tagged recombinant human HDAC4 (648 to 1057 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50017917	10	ChEMBL_362620 (CHEMBL853230)	Inhibition of GR-mediated transactivation of galactosidase reporter gene in HEK293 cells in absence of 11betaHSD1
50018243	2	ChEMBL_2267550	Inhibition of CDK1/Cyclin E (unknown origin)
50018243	3	ChEMBL_2267551	Inhibition of CDK2/Cyclin A (unknown origin)
50041452	1	ChEMBL_364091 (CHEMBL870213)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR
50041452	2	ChEMBL_364093 (CHEMBL869037)	Antagonist activity at rat P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of calcium flux by FLIPR
50041453	3	ChEMBL_365370 (CHEMBL863024)	Inhibition of human cathepsin L
50041453	4	ChEMBL_365369 (CHEMBL871199)	Inhibition of human cathepsin B
50037718	3	ChEMBL_365406 (CHEMBL867889)	Inhibition of mammalian CDK5/p25
50037718	4	ChEMBL_365417 (CHEMBL867900)	Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay
50037723	2	ChEMBL_365936 (CHEMBL869697)	Binding affinity to EntE
50041454	1	ChEMBL_366374 (CHEMBL866015)	Inhibition of [125I]echistatin binding to integrin alphaVbeta3 receptor
50037731	9	ChEMBL_369374 (CHEMBL869741)	Binding affinity to histamine H1 receptor
50041455	1	ChEMBL_370996 (CHEMBL868494)	Inhibition of human B tryptase
50041455	2	ChEMBL_370998 (CHEMBL868496)	Inhibition of thrombin
50041455	3	ChEMBL_371011 (CHEMBL868509)	Inhibition of factor 7a
50041455	4	ChEMBL_370999 (CHEMBL868497)	Inhibition of plasmin
50041455	5	ChEMBL_371005 (CHEMBL868503)	Inhibition of urokinase
50041455	6	ChEMBL_371004 (CHEMBL868502)	Inhibition of chymase
50041455	7	ChEMBL_371002 (CHEMBL868500)	Inhibition of chymotrypsin
50041455	8	ChEMBL_371014 (CHEMBL868512)	Inhibition of factor 11a
50041455	9	ChEMBL_371006 (CHEMBL868504)	Inhibition of granzyme K
50041455	10	ChEMBL_371001 (CHEMBL868499)	Inhibition of APC
50041455	11	ChEMBL_371009 (CHEMBL868507)	Inhibition of monkey tryptase
50041455	12	ChEMBL_371000 (CHEMBL868498)	Inhibition of kallikrein
50041455	13	ChEMBL_371008 (CHEMBL868506)	Inhibition of mouse tryptase
50041455	14	ChEMBL_371010 (CHEMBL868508)	Inhibition of cathepsin G
50041455	15	ChEMBL_371013 (CHEMBL868511)	Inhibition of factor 9a
50041455	16	ChEMBL_371012 (CHEMBL868510)	Inhibition of factor 10a
50001565	8	ChEMBL_1728273 (CHEMBL4143551)	Inhibition of C-terminal His-tagged/N-terminal GST-tagged full length recombinant human HDAC3/NcoR2 expressed in baculovirus infected Sf9 insect cells using KI 177 as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50001565	9	ChEMBL_1728276 (CHEMBL4143554)	Inhibition of full length recombinant human HDAC5 preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50001566	1	ChEMBL_1728300 (CHEMBL4143578)	Inhibition of xanthine oxidase (unknown origin) at 30 uM using xanthine as substrate preincubated for 5 mins followed by substrate addition measured every min for 10 mins by spectrophotometric method relative to control
50001567	1	ChEMBL_1728312 (CHEMBL4143590)	Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay
50001568	1	ChEMBL_1728441 (CHEMBL4143719)	Inhibition of NAE-mediated Ubcl2-NEDD8 conjugation in human Caco2 cells after 16 hrs by Western blot analysis
50001569	1	ChEMBL_1728593 (CHEMBL4143871)	Inhibition of pantothenate kinase in Plasmodium falciparum 3D7 trophozoites using [14C]pantothenate as substrate after 15 mins by TopCount scintillation counting method
50001571	1	ChEMBL_1728616 (CHEMBL4143894)	Agonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence assay
50001571	2	ChEMBL_1728610 (CHEMBL4143888)	Displacement of 3H-CP-55940 from recombinant full length human CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillation counting analysis
50001571	3	ChEMBL_1728619 (CHEMBL4143897)	Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence assay
50001571	4	ChEMBL_1728611 (CHEMBL4143889)	Displacement of 3H-CP-55940 from recombinant full length human CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillation counting analysis
50001571	5	ChEMBL_1728613 (CHEMBL4143891)	Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level incubated for 5 mins followed by agonist stimulation by Fluo4-AM probe based fluorescence assay
50001571	6	ChEMBL_1728617 (CHEMBL4143895)	Agonist activity at recombinant rat TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence assay
50001571	7	ChEMBL_1728618 (CHEMBL4143896)	Agonist activity at recombinant rat TRPV3 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence assay
50001571	8	ChEMBL_1728612 (CHEMBL4143890)	Agonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence assay
50001572	1	ChEMBL_1728624 (CHEMBL4143902)	Inhibition of HDAC in human HeLa nuclear extract using Fluor de Lys as substrate by fluorimetric method
50001572	2	ChEMBL_1728627 (CHEMBL4143905)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf21 insect cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence assay
50001572	3	ChEMBL_1728628 (CHEMBL4143906)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected Sf21 insect cells using RHKKAc as substrate by fluorescence assay
50001572	4	ChEMBL_1728625 (CHEMBL4143903)	Inhibition of recombinant human C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC as substrate by fluorescence assay
50001572	5	ChEMBL_1728626 (CHEMBL4143904)	Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50001575	1	ChEMBL_1728655 (CHEMBL4143933)	Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 1 hr by TR-FRET assay
50001575	3	ChEMBL_1728651 (CHEMBL4143929)	Agonist activity at recombinant human GST-tagged FXR LBD (193 to 472 residues) expressed in baculovirus-infected insect cells assessed as recruitment of biotinylated SRC1 peptide measured after 1 hr by Alphascreen assay
50001575	4	ChEMBL_1728691 (CHEMBL4143969)	Agonist activity at recombinant human Gal4-fused FXR expressed in CHO cells measured after 22 hrs by luciferase reporter gene assay
50001575	5	ChEMBL_1728694 (CHEMBL4143972)	Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay
50041457	1	ChEMBL_372592 (CHEMBL868679)	Inhibition of LPS-stimulated TNFalpha production in human THP1 cells
50041458	1	ChEMBL_373029 (CHEMBL871573)	Antiviral activity against HIV1 IRLL98 in MT4 cells by MTT assay
50041458	2	ChEMBL_373032 (CHEMBL871579)	Antiviral activity against HIV1 Y188L mutant in MT4 cells by MTT assay
50041458	3	ChEMBL_373030 (CHEMBL871577)	Antiviral activity against HIV1 K103N mutant in MT4 cells by MTT assay
50041458	4	ChEMBL_373031 (CHEMBL871578)	Antiviral activity against HIV1 Y181C mutant in MT4 cells by MTT assay
50041458	5	ChEMBL_373028 (CHEMBL871572)	Antiviral activity against wild type HIV1 NL4-3 in MT4 cells by MTT assay
50041459	1	ChEMBL_373476 (CHEMBL853536)	Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay
50041460	1	ChEMBL_376968 (CHEMBL870330)	Inhibition of Septoria nodorum succinate dehydrogenase by FMET2 assay
50041460	2	ChEMBL_376967 (CHEMBL870329)	Inhibition of Septoria nodorum succinate dehydrogenase and Qi site of mitochondrial respiratory chain complex 3 by FMET2-3 assay
50041461	1	ChEMBL_377021 (CHEMBL854475)	Inhibition of lipid-induced beta-hematin formation
50018175	2	ChEMBL_378455 (CHEMBL871029)	Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity
50017913	5	ChEMBL_378749 (CHEMBL871494)	Inhibition of [3H]glycine uptake at human GlyT2 by radiometric assay
50017913	1	ChEMBL_378748 (CHEMBL871493)	Inhibition of [3H]glycine uptake at human GlyT1 by radiometric assay
50018254	1	ChEMBL_385312 (CHEMBL869229)	Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer
50037754	2	ChEMBL_390600 (CHEMBL870982)	Binding affinity at alpha4beta2
50041462	1	ChEMBL_400520 (CHEMBL912684)	Inhibition of Staphylococcus aureus peptide deformylase in presence of substrate f-MAS
50018585	3	ChEMBL_408173 (CHEMBL907144)	Inhibition of Pgp measured as inhibition of [3H]vinblastine basolateral to apical transport in Caco-2 cells
50041463	1	ChEMBL_412322 (CHEMBL910037)	Antagonist activity against 1-alpha,25-dihydroxy vitamin D3-induced HL60 cell differentiation by NBT reduction method
50001576	1	ChEMBL_1728695 (CHEMBL4143973)	Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysis
50001576	2	ChEMBL_1728696 (CHEMBL4143974)	Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysis
50001576	3	ChEMBL_1728697 (CHEMBL4143975)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50041466	1	ChEMBL_416605 (CHEMBL630112)	Inhibition of MM6 cell adhesion to recombinant E-selectin by flow chamber assay
50018462	5	ChEMBL_416892 (CHEMBL909448)	Inhibition of growth of human PC3 cell overexpressing Bcl2
50041467	1	ChEMBL_417162 (CHEMBL909463)	Inhibition of rat brain MAOB
50041467	2	ChEMBL_417161 (CHEMBL909462)	Inhibition of human supersomes MAOB
50041468	1	ChEMBL_419414 (CHEMBL913014)	Inhibition of LFA1-mediated adhesion of T cell to HUVEC
50041469	1	ChEMBL_422247 (CHEMBL855965)	Inhibition of beta-hematin formation by BHIA assay
50041474	1	ChEMBL_422886 (CHEMBL907056)	Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR
50041477	1	ChEMBL_423821 (CHEMBL910656)	Inhibition of beta-hematin polymerization
50041478	1	ChEMBL_423930 (CHEMBL911945)	Inhibition of Mycobacterium tuberculosis MbtA by [32P]PPi-ATP exchange assay
50037813	2	ChEMBL_424275 (CHEMBL908427)	Displacement of [3H]epibatidine from human recombinant alpha4beta2 nAChR in HEK293 cells by SPA assay
50041480	1	ChEMBL_424764 (CHEMBL907300)	Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectin
50041481	1	ChEMBL_425633 (CHEMBL912571)	Inhibition of beta-hematin formation
50041482	1	ChEMBL_425645 (CHEMBL912582)	Inhibition of MAO-B in bovine brain mitochondria fluorimetric method
50018243	4	ChEMBL_2267552	Inhibition of CDK3/Cyclin E (unknown origin)
50018243	5	ChEMBL_2267553	Inhibition of Erk1 (unknown origin)
50018243	6	ChEMBL_2267554	Inhibition of Erk2 (unknown origin)
50018243	7	ChEMBL_2267555	Inhibition of MEK1 (unknown origin)
50018243	8	ChEMBL_2267557	Inhibition of Protein kinase C (unknown origin)
50018243	9	ChEMBL_2267559	Inhibition of CK1 (unknown origin)
50018243	10	ChEMBL_2267560	Inhibition of CK2 (unknown origin)
50018243	11	ChEMBL_2267561	Inhibition of CDK4/Cyclin D1 (unknown origin)
50018243	12	ChEMBL_2267562	Inhibition of CDK5/p25 (unknown origin)
50037828	5	ChEMBL_425923 (CHEMBL907378)	Activity at OT receptor assessed as oxytocic activity in absence of magnesium
50041484	1	ChEMBL_426926 (CHEMBL909252)	Inhibition of Tween 20-induced beta-hematin formation by colorimetric assay
50037830	4	ChEMBL_428054 (CHEMBL914372)	Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown
50041487	1	ChEMBL_430049 (CHEMBL918651)	Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sites
50041487	2	ChEMBL_430048 (CHEMBL918650)	Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sites
50041487	3	ChEMBL_430046 (CHEMBL644842)	Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sites
50041487	4	ChEMBL_430045 (CHEMBL918647)	Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sites
50037856	2	ChEMBL_430508 (CHEMBL917757)	Inhibition of human CYP27B hydroxylase expressed in SW900 cells
50037856	3	ChEMBL_430507 (CHEMBL917756)	Inhibition of human CYP27A1 hydroxylase expressed in V79 cells
50001576	4	ChEMBL_1728706 (CHEMBL4143984)	Inhibition of ATX in human whole blood
50001576	5	ChEMBL_1728705 (CHEMBL4143983)	Inhibition of human ATX
50001576	6	ChEMBL_1728728 (CHEMBL4144006)	Inhibition of human full length ATX expressed in HEK cells using FS-3 as substrate incubated for 15 mins followed by substrate addition measured after 30 mins
50001577	1	ChEMBL_1728752 (CHEMBL4144030)	Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed by compound washout and subsequent LPA stimulation measured after 3 mins by fluorescence assay
50001577	2	ChEMBL_1728729 (CHEMBL4144007)	Antagonist activity at recombinant human LPA1 expressed in CHO cells assessed as reduction in LPA-induced intracellular calcium level pretreated followed by LPA addition by Fura-2-AM dye based fluorescence assay
50041498	1	ChEMBL_438727 (CHEMBL889062)	Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay
50001577	3	ChEMBL_1728744 (CHEMBL4144022)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 0.5 hrs by scintillation counting method
50001577	4	ChEMBL_1728745 (CHEMBL4144023)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 1 hr by scintillation counting method
50001577	5	ChEMBL_1728746 (CHEMBL4144024)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs by scintillation counting method
50001577	6	ChEMBL_1728749 (CHEMBL4144027)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at room temperature by scintillation counting method
50001577	7	ChEMBL_1728747 (CHEMBL4144025)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 4 hrs by scintillation counting method
50001577	8	ChEMBL_1728750 (CHEMBL4144028)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at 37 degC by scintillation counting method
50001577	9	ChEMBL_1728751 (CHEMBL4144029)	Antagonist activity at recombinant human LPA1 expressed in CHO cell membranes pretreated for 24 hrs prior to Fura-2-AM dye addition for 1 hr followed by LPA stimulation measured after 3 mins by fluorescence assay
50041500	1	ChEMBL_439960 (CHEMBL890277)	Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay
50020754	2	ChEMBL_440469 (CHEMBL890785)	Inhibition of HDAC3 in HeLa cells
50018243	13	ChEMBL_2267563	Inhibition of CDK6/Cyclin D2 (unknown origin)
50018243	14	ChEMBL_2267564	Inhibition of Chk1 (unknown origin)
50019442	15	ChEMBL_442102 (CHEMBL891240)	Antiproliferative activity against human SW620 cells by soft agar assay
50001577	10	ChEMBL_1728748 (CHEMBL4144026)	Binding affinity to recombinant human LPA1 expressed in CHO cell membranes measured after 2 hrs at 4 degC by scintillation counting method
50001578	1	ChEMBL_1728753 (CHEMBL4144031)	Inhibition of human His-tagged Brd2 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinylated acetyl-histone H4 peptide and measured after 1 hr by AlphaScreen assay
50001578	2	ChEMBL_1728754 (CHEMBL4144032)	Inhibition of human His-tagged Brd2 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinylated acetyl-histone H4 peptide and measured after 1 hr by AlphaScreen assay
50001578	3	ChEMBL_1728756 (CHEMBL4144034)	Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinylated acetyl-histone H4 peptide and measured after 1 hr by AlphaScreen assay
50001578	4	ChEMBL_1728757 (CHEMBL4144035)	Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinylated acetyl-histone H4 peptide and measured after 1 hr by AlphaScreen assay
50001578	5	ChEMBL_1728755 (CHEMBL4144033)	Inhibition of human His-tagged Brd3 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinylated acetyl-histone H4 peptide and measured after 1 hr by AlphaScreen assay
50018243	15	ChEMBL_2267565	Inhibition of Chk2 (unknown origin)
50018243	16	ChEMBL_2267566	Inhibition of c-Raf (unknown origin)
50018243	17	ChEMBL_2267569	Inhibition of c-Src (unknown origin)
50018243	18	ChEMBL_2267570	Inhibition of c-abl (unknown origin)
50018243	19	ChEMBL_2267571	Inhibition of topoisomerase 1 (unknown origin)
50018243	20	ChEMBL_2267572	Inhibition of topoisomerase 2 alpha (unknown origin)
50018243	21	ChEMBL_2267605	Inhibition of CDK2/Cyclin E (unknown origin)
50018243	22	ChEMBL_2267606	Inhibition of GSK3alpha (unknown origin)
50018243	23	ChEMBL_2267607	Inhibition of c-Jun NH2-terminal kinase (unknown origin)
50018243	24	ChEMBL_2267608	Inhibition of Insulin receptor tyrosine kinase (unknown origin)
50018243	25	ChEMBL_2267610	Inhibition of recombinant recombinant rat GSK3beta using GS-1 peptide as substrate in presence of [gamma-32P]ATP measured after 30 mins incubation by scintillation counting analysis
50018243	26	ChEMBL_2267612	Inhibition of CLK1 (unknown origin)
50041503	1	ChEMBL_443034 (CHEMBL892165)	Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins
50041505	1	ChEMBL_444577 (CHEMBL894819)	Antagonist activity at NOP receptor in Albino guinea pig ileum assessed as effect on electrically stimulated contractions
50018243	27	ChEMBL_2267613	Inhibition of DYRK1A (unknown origin)
50041505	2	ChEMBL_444579 (CHEMBL894822)	Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed as effect on electrically stimulated contractions
50041505	3	ChEMBL_444575 (CHEMBL894818)	Antagonist activity at NOP receptor in Swiss mouse vas deferens by [35S]GTP-gamma-S binding assay
50020891	29	ChEMBL_444966 (CHEMBL894122)	Antiproliferative activity against HeLa cells by MTS assay
50021213	2	ChEMBL_446344 (CHEMBL895464)	Displacement of [3H]dofetilide from hERG expressed in CHO cells
50041508	1	ChEMBL_446770 (CHEMBL897069)	Inhibition of mitogen-activated protein kinase p38alpha
50041508	2	ChEMBL_446774 (CHEMBL897074)	Inhibition of CDK2
50041508	3	ChEMBL_446769 (CHEMBL897068)	Inhibition of human truncated JNK3
50041508	4	ChEMBL_446768 (CHEMBL897067)	Inhibition of human recombinant full length JNK1alpha1
50041508	5	ChEMBL_446778 (CHEMBL897078)	Inhibition of PLK1
50041508	6	ChEMBL_446771 (CHEMBL897070)	Inhibition of human recombinant full length ERK2
50041508	7	ChEMBL_446777 (CHEMBL897077)	Inhibition of GSK3-beta
50041508	8	ChEMBL_446779 (CHEMBL897079)	Inhibition of Src
50041508	9	ChEMBL_446772 (CHEMBL897072)	Inhibition of Alk5
50041508	10	ChEMBL_446781 (CHEMBL897081)	Inhibition of VegFr2
50041508	11	ChEMBL_446773 (CHEMBL897073)	Inhibition of cFms
50041508	12	ChEMBL_446783 (CHEMBL897071)	Inhibition of human JNK2alpha2
50041508	13	ChEMBL_446775 (CHEMBL897075)	Inhibition of EGFR
50041508	14	ChEMBL_446776 (CHEMBL897076)	Inhibition of ErbB2
50041508	15	ChEMBL_446780 (CHEMBL897080)	Inhibition of Tie2
50020508	3	ChEMBL_447605 (CHEMBL896619)	Inhibition of calf PNP in presence of 0.025 mM phosphate
50020508	4	ChEMBL_447603 (CHEMBL896617)	Inhibition of human PNP in presence of 0.025 mM phosphate
50041509	1	ChEMBL_447974 (CHEMBL898226)	Inhibition of human thyroid hormone receptor beta 1
50020856	13	ChEMBL_448745 (CHEMBL897882)	Inhibition of human activated protein C
50041511	1	ChEMBL_448768 (CHEMBL897914)	Inhibitory activity against Cdk5/p25
50041515	1	ChEMBL_450799 (CHEMBL899886)	Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 cells assessed as induction of calcium influx by FLIPR assay
50018243	28	ChEMBL_2267615	Inhibition of PARP1 (unknown origin)
50018243	29	ChEMBL_2267616	Inhibition of PARP2 (unknown origin)
50018243	30	ChEMBL_2267617	Inhibition of PARP3 (unknown origin)
50018243	31	ChEMBL_2267621	Antagonist activity against human integrin alphaVbeta3 expressed in CHO-K1 cells measured after 4 hrs by Cell adhesion assay
50018244	1	ChEMBL_2267626	Binding affinity to human QC assessed as inhibition constant
50018244	2	ChEMBL_2267627	Inhibition of QC (unknown origin)
50018245	1	ChEMBL_2267667	Inhibition of human PDE4D7
50018245	2	ChEMBL_2267668	Inhibition of human PDE4D3
50018245	3	ChEMBL_2267669	Binding affinity to human PDE4 assessed as dissociation constant
50018245	4	ChEMBL_2267670	Inhibition of human PDE7A1
50018245	5	ChEMBL_2267671	Inhibition of human PDE1B
50018245	6	ChEMBL_2267672	Inhibition of human PDE1C
50018245	7	ChEMBL_2267673	Inhibition of human PDE2
50018245	8	ChEMBL_2267674	Inhibition of human PDE5
50018245	9	ChEMBL_2267675	Inhibition of human PDE4A
50018245	10	ChEMBL_2267676	Inhibition of PDE7 (unknown origin)
50021552	2	ChEMBL_451573 (CHEMBL901785)	Inhibition of MK2 in human TERT immortalised HCA2 cells assessed as inhibition of anisomycin-induced HSP27 phosphorylation at 2.5 uM by ELISA
50041518	1	ChEMBL_451657 (CHEMBL901868)	Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP/PPi exchange assay
50021658	6	ChEMBL_452019 (CHEMBL901179)	Inhibition of human liver microsome CYP1A2
50021658	5	ChEMBL_452018 (CHEMBL901178)	Inhibition of human liver microsome CYP2C19
50021658	4	ChEMBL_452017 (CHEMBL901177)	Inhibition of human liver microsome CYP2C9
50021658	1	ChEMBL_452020 (CHEMBL901180)	Inhibition of human liver microsome CYP2D6
50041519	1	ChEMBL_452154 (CHEMBL901310)	Displacement of [3H]epibatidine from alpha-4-beta-2 nAChR
50041521	1	ChEMBL_452407 (CHEMBL902643)	Agonist activity at glucocorticoid receptor in human A549 cells by MMTV transactivation assay
50041521	2	ChEMBL_452406 (CHEMBL902642)	Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay
50041521	3	ChEMBL_452405 (CHEMBL902641)	Displacement of fluorescent labeled Dexamethasone from glucocorticoid receptor
50041521	4	ChEMBL_452410 (CHEMBL902646)	Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexamethasone-induced activation
50038000	8	ChEMBL_452855 (CHEMBL903098)	Antagonist activity at histamine H3 receptor in guinea pig ileum assessed as inhibition of (R)-methyl histamine induced longitudinal smooth muscle contraction
50038000	9	ChEMBL_452856 (CHEMBL903099)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced longitudinal smooth muscle contraction
50041522	1	ChEMBL_453677 (CHEMBL885678)	Inhibition of ICMT expressed in Sf9 cells
50041523	1	ChEMBL_454126 (CHEMBL902283)	Inhibition of CYP2D6
50018245	11	ChEMBL_2267678	Inhibition of PDE8A (unknown origin)
50018245	12	ChEMBL_2267679	Inhibition of PDE8B (unknown origin)
50018245	13	ChEMBL_2267683	Inhibition of PDE5 (unknown origin)
50018245	14	ChEMBL_2267684	Inhibition of PDE5A (unknown origin)
50018245	15	ChEMBL_2267687	Inhibition of PDE1 (unknown origin)
50018245	16	ChEMBL_2267688	Inhibition of PDE2A (unknown origin)
50018245	17	ChEMBL_2267689	Inhibition of human PDE2A
50041527	1	ChEMBL_455564 (CHEMBL903551)	Inhibition of UCHL1
50041528	1	ChEMBL_455610 (CHEMBL886390)	Inhibition of DPP8
50041528	2	ChEMBL_455611 (CHEMBL886391)	Inhibition of DPP9
50018245	18	ChEMBL_2267690	Inhibition of rat PDE10A
50041532	1	ChEMBL_459042 (CHEMBL925134)	Inhibition of thyroid hormone receptor alpha
50041532	2	ChEMBL_459043 (CHEMBL925135)	Inhibition of thyroid hormone receptor beta
50038057	3	ChEMBL_459068 (CHEMBL925175)	Inhibition of human ATP citrate lyase
50038060	2	ChEMBL_459333 (CHEMBL926493)	Inhibition of human recombinant CDK5/p35
50038078	8	ChEMBL_461712 (CHEMBL928843)	Inhibition of human activated protein C
50022310	2	ChEMBL_462453 (CHEMBL928318)	Inhibition of human recombinant CpA by fluorescence assay
50022310	3	ChEMBL_462452 (CHEMBL928317)	Inhibition of human recombinant NEP by fluorescence assay
50038097	4	ChEMBL_463327 (CHEMBL947133)	Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli
50041535	1	ChEMBL_463748 (CHEMBL930999)	Inhibition of CDK1/cyclin B by MESACUP assay
50038148	2	ChEMBL_464828 (CHEMBL948223)	Displacement of vitronectin from integrin alphavbeta3 receptor
50041536	1	ChEMBL_465005 (CHEMBL948182)	Antagonist activity at histamine H1 receptor by FLIPR assay
50041536	2	ChEMBL_465006 (CHEMBL948183)	Displacement of [3H]Dofetilide from human ERG
50041536	3	ChEMBL_465003 (CHEMBL948180)	Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay
50041536	4	ChEMBL_465004 (CHEMBL948181)	Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay
50041537	1	ChEMBL_465246 (CHEMBL933040)	Inhibition of human recombinant NEP by fluorescence assay
50041537	2	ChEMBL_465247 (CHEMBL932068)	Inhibition of human recombinant carboxy peptidase A1 by fluorescence assay
50041537	3	ChEMBL_465245 (CHEMBL933039)	Inhibition of human recombinant ACE by fluorescence assay
50041537	4	ChEMBL_465244 (CHEMBL933038)	Inhibition of human recombinant ACE2 by fluorescence assay
50038164	6	ChEMBL_465288 (CHEMBL933853)	Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor by solid phase assay
50038164	7	ChEMBL_465290 (CHEMBL933855)	Inhibition of human integrin alpha-V-beta-3 receptor mediated K562 cell adhesion to vitronectin
50038164	8	ChEMBL_465292 (CHEMBL933857)	Inhibition of human integrin alpha-v-beta-3 receptor mediated WM115 cell adhesion to vitronectin
50038164	9	ChEMBL_465295 (CHEMBL933860)	Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay
50038164	10	ChEMBL_465300 (CHEMBL933864)	Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor low affinity state by solid phase assay
50041538	1	ChEMBL_465784 (CHEMBL948146)	Displacement of [3H]dofetilide from human recombinant ERG potassium channel expressed in HEK293 cells by patch clamp method
50038232	6	ChEMBL_467689 (CHEMBL937611)	Antagonist activity at PGE2-EP1 receptor assessed as PGE2-induced response by schild analysis
50038232	7	ChEMBL_467683 (CHEMBL937605)	Displacement of [3H]PGE2 from human PGE2-EP1 receptor expressed in CHO-K1 cells
50041539	1	ChEMBL_467917 (CHEMBL934506)	Antagonist activity at human mGluR5 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR
50041540	1	ChEMBL_468750 (CHEMBL929932)	Inhibition of beta-hematin formation
50041541	1	ChEMBL_469375 (CHEMBL932852)	Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay
50041541	2	ChEMBL_469376 (CHEMBL932853)	Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay
50041542	1	ChEMBL_469770 (CHEMBL948046)	Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles
50038381	158	ChEMBL_473691 (CHEMBL936790)	Inhibition of Cdk1/cyclin B1
50038381	88	ChEMBL_473673 (CHEMBL921716)	Inhibition of human myosin light chain kinase
50041543	1	ChEMBL_474247 (CHEMBL934096)	Inhibition of 11beta-HSD1
50038394	3	ChEMBL_474394 (CHEMBL939119)	Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay
50038394	4	ChEMBL_474393 (CHEMBL939120)	Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay
50038409	2	ChEMBL_475163 (CHEMBL928296)	Inhibition of recombinant CDK5/p25 expressed in Escherichia coli
50018245	19	ChEMBL_2267691	Inhibition of human PDE10A
50038432	2	ChEMBL_476241 (CHEMBL933518)	Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptor
50038477	2	ChEMBL_478823 (CHEMBL925710)	Antagonist activity at AT1 receptor in KCl-contracted rabbit aortic strips after 60 mins
50018245	20	ChEMBL_2267692	Inhibition of PDE10A (unknown origin)
50038481	2	ChEMBL_478938 (CHEMBL936364)	Binding affinity to ENT1 transporter
50038521	3	ChEMBL_479810 (CHEMBL930380)	Antagonist activity at human urotensin 2 receptor
50041569	1	ChEMBL_550766 (CHEMBL1008660)	Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting
50018245	21	ChEMBL_2267693	Binding affinity to full length human PDE10A assessed as dissociation constant using [3H]-cAMP as substrate
50018245	22	ChEMBL_2267694	Binding affinity to full length human PDE10A assessed as dissociation constant
50018245	23	ChEMBL_2267695	Binding affinity to PDE10A (unknown origin) assessed as dissociation constant
50018245	24	ChEMBL_2267711	Inhibition of human recombinant PDE11
50041578	1	ChEMBL_487009 (CHEMBL1015636)	Inhibition of ACE by fluorometric assay
50041579	1	ChEMBL_531578 (CHEMBL990582)	Inhibition of JNK1
50041580	1	ChEMBL_531583 (CHEMBL990587)	Inhibition of heparanase
50041581	1	ChEMBL_532343 (CHEMBL973266)	Induction of BK channel mediated vasorelaxation activity in Kcl-induced contraction in Wistar rat aorta
50025814	4	ChEMBL_531161 (CHEMBL974047)	Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP
50041585	3	ChEMBL_556306 (CHEMBL954041)	Displacement of [3H]5HT from human recombinant 5HT1B receptor
50041585	4	ChEMBL_556307 (CHEMBL954042)	Displacement of [3H]5HT from human recombinant 5HT1D receptor
50041585	5	ChEMBL_556308 (CHEMBL954043)	Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes
50041585	2	ChEMBL_556305 (CHEMBL954040)	Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor
50041585	6	ChEMBL_556316 (CHEMBL954051)	Displacement of radioligand from human cloned 5HT1E receptor
50041585	7	ChEMBL_556317 (CHEMBL954052)	Displacement of radioligand from human cloned 5HT1F receptor
50041585	8	ChEMBL_556318 (CHEMBL954053)	Displacement of radioligand from human cloned 5HT2A receptor
50041585	9	ChEMBL_556319 (CHEMBL954054)	Displacement of radioligand from human cloned 5HT2B receptor
50041585	10	ChEMBL_556320 (CHEMBL954055)	Displacement of radioligand from human cloned 5HT2C receptor
50041585	11	ChEMBL_556321 (CHEMBL954056)	Displacement of radioligand from human cloned 5HT4 receptor
50041585	12	ChEMBL_556322 (CHEMBL954057)	Displacement of radioligand from human cloned 5HT5A receptor
50041585	13	ChEMBL_556323 (CHEMBL954058)	Displacement of radioligand from human cloned 5HT6 receptor
50041585	14	ChEMBL_556324 (CHEMBL954059)	Displacement of radioligand from human cloned 5HT7 receptor
50041585	15	ChEMBL_556325 (CHEMBL954060)	Displacement of radioligand from human cloned SERT
50041585	16	ChEMBL_556326 (CHEMBL954061)	Displacement of radioligand from human cloned dopamine D2 receptor
50041585	17	ChEMBL_556327 (CHEMBL954062)	Displacement of radioligand from human cloned adrenergic Alpha-1B receptor
50041586	1	ChEMBL_556618 (CHEMBL958117)	Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay
50041586	2	ChEMBL_556619 (CHEMBL958118)	Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as benzoyl-ATP-induced calcium flux by FLIPR assay
50041586	3	ChEMBL_556620 (CHEMBL958119)	Antagonist activity at human recombinant P2X7 receptor expressed in differentiated human THP1 cells assessed as inhibition of benzoyl-ATP-induced IL1-beta release by ELISA
50041587	1	ChEMBL_556369 (CHEMBL954102)	Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique
50041588	1	ChEMBL_556677 (CHEMBL958964)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells
50041588	2	ChEMBL_556678 (CHEMBL958965)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells
50041588	3	ChEMBL_556679 (CHEMBL958966)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells
50041588	4	ChEMBL_556680 (CHEMBL958967)	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells
50041588	5	ChEMBL_556681 (CHEMBL958968)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells
50026198	4	ChEMBL_552623 (CHEMBL957267)	Activity of rat brain recombinant nNOS assessed as L-arginine oxidation in presence of 10 uM (6R)-5,6,7,8-tetrahydro-L-biopterin
50001578	6	ChEMBL_1728759 (CHEMBL4144037)	Binding affinity to His-tagged human Brd2 bromodomain 2 (1 to 473 residues) assessed as dissociation rate constant by surface plasmon resonance assay
50041591	1	ChEMBL_530419 (CHEMBL972184)	Binding affinity to bovine adenosine A1 receptor
50041592	1	ChEMBL_549674 (CHEMBL997303)	Inhibition of beta-hematin formation by BHIA assay
50041593	1	ChEMBL_487568 (CHEMBL1022751)	Displacement of [H3PGE2 from human EP1 receptor expressed in CHOK1 cells
50041593	2	ChEMBL_487569 (CHEMBL1022752)	Antagonist activity of human PGE2 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium mobilisation by FLIPR assay
50041594	5	ChEMBL_487925 (CHEMBL1016579)	Displacement of [3H]RS79948-197 from human recombinant adrenergic Alpha-2C receptor expressed in CHO cells
50001578	7	ChEMBL_1728758 (CHEMBL4144036)	Binding affinity to His-tagged human Brd2 bromodomain 1 (1 to 473 residues) assessed as dissociation rate constant by surface plasmon resonance assay
50001578	8	ChEMBL_1728778 (CHEMBL4144056)	Inhibition of binding of a tetra-acetylated histone H4 peptide to His-tagged human BRD4(D1) expressed in bacteria
50001581	1	ChEMBL_1728849 (CHEMBL4144127)	Inhibition of human ERG
50001582	1	ChEMBL_1728884 (CHEMBL4144162)	Inhibition of [3H]-astemizole binding to human ERG
50001582	2	ChEMBL_1728855 (CHEMBL4144133)	Agonist activity at recombinant rat CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hrs by PathHunter assay
50001582	3	ChEMBL_1728852 (CHEMBL4144130)	Agonist activity at recombinant human CB1 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hrs by PathHunter assay
50001582	4	ChEMBL_1728853 (CHEMBL4144131)	Agonist activity at recombinant rat CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hrs by PathHunter assay
50001582	5	ChEMBL_1728850 (CHEMBL4144128)	Agonist activity at recombinant human CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hrs by PathHunter assay
50041594	6	ChEMBL_487917 (CHEMBL1015736)	Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells
50001582	6	ChEMBL_1728879 (CHEMBL4144157)	Inhibition of CYP1A2 (unknown origin)
50001582	7	ChEMBL_1728883 (CHEMBL4144161)	Inhibition of CYP3A4 (unknown origin)
50041595	1	ChEMBL_489429 (CHEMBL994375)	Inhibition of beta-hematin formation after 16 hrs
50041596	1	ChEMBL_490576 (CHEMBL981183)	Inhibition of rat lens aldose reductase
50041597	1	ChEMBL_491019 (CHEMBL982067)	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells
50041597	2	ChEMBL_491018 (CHEMBL982066)	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells
50041597	3	ChEMBL_491020 (CHEMBL982068)	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells
50041597	4	ChEMBL_491021 (CHEMBL982069)	Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells
50038637	2	ChEMBL_490891 (CHEMBL989167)	Displacement of [125I]PIC from human imidazoline receptor 1 expressed in rat PC12 cells
50041598	1	ChEMBL_514364 (CHEMBL967978)	Displacement of [125I]NKA from human NK2 receptor expressed in CHOK1 cells
50001582	8	ChEMBL_1728880 (CHEMBL4144158)	Inhibition of CYP2C9 (unknown origin)
50001582	9	ChEMBL_1728882 (CHEMBL4144160)	Inhibition of CYP2D6 (unknown origin)
50001582	10	ChEMBL_1728885 (CHEMBL4144163)	Inhibition of human ERG by patch-clamp method
50001582	11	ChEMBL_1728881 (CHEMBL4144159)	Inhibition of CYP2C19 (unknown origin)
50038648	3	ChEMBL_514879 (CHEMBL972687)	Inhibition of CYP2C9
50038648	4	ChEMBL_514880 (CHEMBL972688)	Inhibition of CYP2D6
50041602	1	ChEMBL_510400 (CHEMBL1000350)	Activation of large-conductance calcium-activated potassium channel-mediated vasorelaxation in endothelium-denuded normotensive Wistar rat thoracic aorta assessed as potassium chloride-induced contractile tension
50041603	2	ChEMBL_510508 (CHEMBL995216)	Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50041603	3	ChEMBL_510506 (CHEMBL995214)	Antagonist activity at human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50041603	4	ChEMBL_510504 (CHEMBL995212)	Antagonist activity at human muscarinic acetylcholine M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50018246	1	ChEMBL_2267817	Inhibition of tau (unknown origin)
50041603	7	ChEMBL_510510 (CHEMBL996046)	Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay
50041603	8	ChEMBL_510511 (CHEMBL996047)	Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M2 receptor expressed in CHO cells coexpressed with Gqi5 by scintillation proximity assay
50041603	9	ChEMBL_510512 (CHEMBL996048)	Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M3 receptor expressed in CHO cells by scintillation proximity assay
50041603	10	ChEMBL_510519 (CHEMBL996055)	Inhibition of CYP2D6
50041603	11	ChEMBL_510520 (CHEMBL996056)	Inhibition of CYP3A4
50041603	12	ChEMBL_510521 (CHEMBL996057)	Inhibition of CYP1A2
50041603	13	ChEMBL_510522 (CHEMBL996058)	Inhibition of CYP2C19
50041603	14	ChEMBL_510523 (CHEMBL996059)	Inhibition of CYP2C9
50041603	15	ChEMBL_510524 (CHEMBL996060)	Inhibition of human ERG
50018246	2	ChEMBL_2267818	Binding affinity to tau (unknown origin)
50018246	3	ChEMBL_2267824	Binding affinity to MBNL1 (unknown origin) assessed as dissociation constant
50018248	1	ChEMBL_2267837	Inhibition of human ASIC1a in HEK293 cells assessed as inward proton-gated current at pH 6.0 incubated with compound followed by PcTx1 addition by patch-clamp electrophysiology
50041609	1	ChEMBL_510888 (CHEMBL997780)	Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay
50018249	1	ChEMBL_2267874	Inhibition of EGFR (unknown origin)
50018249	2	ChEMBL_2267875	Inhibition of VEGFR2 (unknown origin)
50001583	1	ChEMBL_1728900 (CHEMBL4144178)	Inhibition of PHD2 in human Hep3B cells assessed as increase in EPO release after 24 hrs by ELISA
50041611	1	ChEMBL_512916 (CHEMBL974473)	Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay
50001583	2	ChEMBL_1728899 (CHEMBL4144177)	Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincubated for 10 mins followed by human VBC complex addition in presence of 2-oxoglutarate by HTRF assay
50041611	2	ChEMBL_512911 (CHEMBL974468)	Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay using linear regression analysis
50041611	3	ChEMBL_512910 (CHEMBL974467)	Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay using one phase exponential association analysis
50038661	2	ChEMBL_511444 (CHEMBL1003925)	Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay
50018249	3	ChEMBL_2267878	Inhibition of HDAC1 (unknown origin)
50018249	4	ChEMBL_2267879	Inhibition of HDAC2 (unknown origin)
50018249	5	ChEMBL_2267882	Inhibition of HDAC6 (unknown origin)
50018251	1	ChEMBL_2267947	Agonist activity at human TLR7
50018251	2	ChEMBL_2267948	Agonist activity at human TLR8 stably expressed in human HEK-Blue hTLR8 cells assessed as activation of NFkappaB by SAP reporter gene based spectrophotometric assay
50018251	3	ChEMBL_2267949	Agonist activity at human TLR8 (27 to 827 residues) stably expressed in human HEK-Blue hTLR8 cells assessed as activation of NFkappaB by SAP reporter gene based spectrophotometric assay
50041612	2	ChEMBL_491079 (CHEMBL982102)	Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor
50041612	3	ChEMBL_491080 (CHEMBL982103)	Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor
50001583	3	ChEMBL_1728915 (CHEMBL4144193)	Inhibition of CYP2C8 in human liver microsomes by LC-MS/MS analysis
50041613	1	ChEMBL_492193 (CHEMBL951569)	Inhibition of human PDE4B in Sf9 cells
50041614	1	ChEMBL_491216 (CHEMBL992812)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by liquid scintillation counter
50041614	2	ChEMBL_491217 (CHEMBL992813)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by liquid scintillation counter
50041614	3	ChEMBL_491218 (CHEMBL992814)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by liquid scintillation counter
50041614	4	ChEMBL_491219 (CHEMBL992815)	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by liquid scintillation counter
50041614	5	ChEMBL_491220 (CHEMBL992816)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by liquid scintillation counter
50001583	4	ChEMBL_1728914 (CHEMBL4144192)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50001583	5	ChEMBL_1728909 (CHEMBL4144187)	Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50001583	6	ChEMBL_1728912 (CHEMBL4144190)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50001583	7	ChEMBL_1728908 (CHEMBL4144186)	Inhibition of CYP3A4 in human liver microsomes using midozolam as substrate by LC-MS/MS analysis
50001583	8	ChEMBL_1728910 (CHEMBL4144188)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50001583	9	ChEMBL_1728911 (CHEMBL4144189)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50001583	10	ChEMBL_1728913 (CHEMBL4144191)	Inhibition of CYP2A6 in human liver microsomes by LC-MS/MS analysis
50001583	11	ChEMBL_1728916 (CHEMBL4144194)	Inhibition of CYP2B6 in human liver microsomes by LC-MS/MS analysis
50001583	12	ChEMBL_1728917 (CHEMBL4144195)	Inhibition of human ERG expressed in HEK293 cells at holding potential of -80 mV by whole cell patch clamp method
50001583	13	ChEMBL_1728931 (CHEMBL4144209)	Inhibition of PHD2 (181 to 426 residues) (unknown origin) using biotinylated CODD peptide as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins in presence of 2-oxoglutarate by AlphaScreen assay
50001584	1	ChEMBL_1728953 (CHEMBL4144231)	Agonist activity at human GPR40 expressed in CHO cells after 24 hrs by NFAT-luciferase reporter gene assay
50027247	4	ChEMBL_536369 (CHEMBL994287)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay
50027247	5	ChEMBL_536370 (CHEMBL994288)	Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay
50041620	1	ChEMBL_537447 (CHEMBL990612)	Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells
50041620	2	ChEMBL_537446 (CHEMBL990611)	Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells
50041620	3	ChEMBL_537448 (CHEMBL990613)	Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells
50041620	4	ChEMBL_537449 (CHEMBL990614)	Inhibition of [3H]5HT reuptake at SERT in rat cortical synaptosomes
50041620	5	ChEMBL_537453 (CHEMBL990618)	Binding affinity at 5HT2A receptor
50041620	6	ChEMBL_537454 (CHEMBL990619)	Binding affinity at 5HT2B receptor
50041620	7	ChEMBL_537456 (CHEMBL990621)	Binding affinity at 5HT2C receptor
50041620	8	ChEMBL_537457 (CHEMBL990622)	Binding affinity at dopamine D2 receptor
50041620	9	ChEMBL_537455 (CHEMBL990620)	Binding affinity at 5HT6 receptor
50041626	1	ChEMBL_536770 (CHEMBL984564)	Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane
50041626	2	ChEMBL_536575 (CHEMBL988036)	Inhibition of acetylcholinesterase in Wistar rat brain homogenate by Ellman's method
50041626	3	ChEMBL_536769 (CHEMBL984563)	Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells
50041626	4	ChEMBL_536577 (CHEMBL988038)	Displacement of [3H]RAMHA from human histamine H4 receptor expressed in SK-N-MC cells
50041626	5	ChEMBL_536583 (CHEMBL988044)	Antagonist activity at histamine H2 receptor in guinea pig atrium assessed as changes in rate of spontaneous beat
50038699	3	ChEMBL_536816 (CHEMBL988080)	Inhibition of Escherichia coli recombinant DHDPS overexpressed with DHDPR assessed as residual activity by modified coupled assay
50041629	1	ChEMBL_556996 (CHEMBL958182)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells
50041629	2	ChEMBL_556998 (CHEMBL960689)	Binding affinity to histamine H1 receptor
50041629	3	ChEMBL_557000 (CHEMBL960691)	Binding affinity to rat histamine H4 receptor
50041629	4	ChEMBL_556997 (CHEMBL958183)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in NIH3T3 cells
50041629	5	ChEMBL_556999 (CHEMBL960690)	Inverse agonist activity at human histamine H4 receptor expressed in HEK293T cells by CRE-beta-galactosidase assay
50041634	1	ChEMBL_558292 (CHEMBL957356)	Binding affinity to glucocorticoid receptor
50041634	2	ChEMBL_558293 (CHEMBL957357)	Agonist activity at glucocorticoid receptor by MMTV transactivation assay
50041634	3	ChEMBL_558294 (CHEMBL957358)	Binding affinity to androgen receptor
50041634	4	ChEMBL_558295 (CHEMBL957359)	Binding affinity to progesterone receptor
50041634	5	ChEMBL_558460 (CHEMBL963866)	Binding affinity to mineralocorticoid receptor
50027629	7	ChEMBL_559937 (CHEMBL1013731)	Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay
50027629	8	ChEMBL_559942 (CHEMBL1013736)	Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay
50027629	9	ChEMBL_559947 (CHEMBL1013741)	Inhibition of human ERG binding
50027629	10	ChEMBL_559948 (CHEMBL1013742)	Inhibition of human Ghrelin receptor
50018251	4	ChEMBL_2267953	Antagonist activity at human TLR8 by Isothermal titration calorimetry
50018251	5	ChEMBL_2267954	Antagonist activity at human TLR8 stably expressed in human HEK-Blue hTLR8 cells incubated for 24 hrs by Quanti-Blue based SEAP assay
50018251	6	ChEMBL_2267955	Antagonist activity at human TLR9 expressed in HEK-Blue hTLR9 cells assessed as activation of NFkappaB incubated for 16 hrs by luciferase reporter gene assay
50018251	7	ChEMBL_2267956	Antagonist activity at human TLR9 expressed in HEK293 cells coexpressing firefly luciferase assessed as inhibition of CpGB-induced NFkappaB activation preincubated for 30 mins followed by Oligo CpG stimulation by Steady-Glo luciferase assay
50018252	1	ChEMBL_2267986	Displacement of [3H] DAMGO from mouse MOR expressed in CHO cell membrane incubated for 90 mins by scintillation method
50027674	8	ChEMBL_560732 (CHEMBL1010867)	Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay
50027674	10	ChEMBL_560734 (CHEMBL1010869)	Antagonist activity at mouse recombinant CXCR3 expressed in human U2OS cells
50027681	6	ChEMBL_558478 (CHEMBL963884)	Agonist activity at human glucocorticoid receptor in human A549 cells assessed as transcriptional activity by MMTV luciferase reporter gene assay
50027681	7	ChEMBL_558475 (CHEMBL963881)	Displacement of fluorescent labelled Dexamethasone from glucocorticoid receptor
50041638	1	ChEMBL_558721 (CHEMBL954123)	Binding affinity to Staphylococcus aureus V8 glutamyl endopeptidase
50041639	1	ChEMBL_558727 (CHEMBL954129)	Agonist activity against human alpha4beta2 nAChR
50041639	2	ChEMBL_558728 (CHEMBL954130)	Agonist activity against human alpha3beta4 nAChR
50041640	1	ChEMBL_558735 (CHEMBL954137)	Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone
50027748	5	ChEMBL_559523 (CHEMBL1018996)	Inhibition of mushroom tyrosinase by kinetic based assay
50041641	1	ChEMBL_560257 (CHEMBL1019596)	Inhibition of human carboxylesterase 1
50041641	2	ChEMBL_560260 (CHEMBL1019599)	Inhibition of human carboxylesterase 1 after 5 mins
50041641	3	ChEMBL_560263 (CHEMBL1019602)	Inhibition of human carboxylesterase 1 after 24 hrs
50041646	1	ChEMBL_559838 (CHEMBL1021519)	Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay
50041647	1	ChEMBL_511265 (CHEMBL996091)	Agonist activity at human PAR2 expressed in HEK293T cells assessed as effect on intracellular calcium mobilization by R-SAT assay
50041648	1	ChEMBL_539305 (CHEMBL1026423)	Antagonist activity at human cloned 5HT2A receptor
50041648	2	ChEMBL_539304 (CHEMBL1026422)	Displacement of [3H]mesulergine from human cloned 5HT2C receptor
50041648	3	ChEMBL_539302 (CHEMBL1027240)	Displacement of [3H]spiperone from human cloned dopamine D2 receptor
50041648	4	ChEMBL_539303 (CHEMBL1026421)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor
50041649	4	ChEMBL_539023 (CHEMBL1035697)	Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay
50041649	5	ChEMBL_539032 (CHEMBL1035706)	Inhibition of CYP1A2
50041649	6	ChEMBL_539033 (CHEMBL1035707)	Inhibition of CYP2C9
50041649	7	ChEMBL_539034 (CHEMBL1035708)	Inhibition of CYP2C19
50041649	8	ChEMBL_539035 (CHEMBL1035709)	Inhibition of CYP2D6
50041649	9	ChEMBL_539036 (CHEMBL1035710)	Inhibition of CYP3A4
50041649	10	ChEMBL_539037 (CHEMBL1035711)	Inhibition of human ERG
50041649	11	ChEMBL_539040 (CHEMBL1035714)	Inhibition of human cloned muscarinic M2 receptor-Gqi5 chimeric protein expressed in CHO cells by FLIPR assay
50041649	12	ChEMBL_539039 (CHEMBL1035713)	Inhibition of human cloned muscarinic M1 expressed in CHO cells by FLIPR assay
50041649	13	ChEMBL_538748 (CHEMBL1024867)	Inhibition of human cloned muscarinic M3 receptor expressed in CHO cells by FLIPR assay
50041650	1	ChEMBL_539133 (CHEMBL1023810)	Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells
50041651	1	ChEMBL_539782 (CHEMBL1035000)	Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cells
50041651	2	ChEMBL_539783 (CHEMBL1035001)	Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in human HeLa cells
50041651	3	ChEMBL_539780 (CHEMBL1034998)	Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells
50041651	4	ChEMBL_539781 (CHEMBL1034999)	Displacement of [3H]prazosin from human cloned Alpha-1B adrenoceptor expressed in CHO cells
50041652	1	ChEMBL_494923 (CHEMBL1004666)	Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells
50041652	2	ChEMBL_494924 (CHEMBL1004667)	Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as effect on sauvagine-induced cAMP production
50041653	1	ChEMBL_496141 (CHEMBL999364)	Inhibition of Mycobacterium tuberculosis MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchange
50030235	7	ChEMBL_495776 (CHEMBL1007895)	Binding affinity to OX1 receptor
50030235	8	ChEMBL_495784 (CHEMBL1007903)	Binding affinity to OX2 receptor
50038749	9	ChEMBL_495535 (CHEMBL1008005)	Agonist activity at human recombinant motilin receptor expressed in CHO cells assessed as increase in intracellular calcium by FLIPR assay
50038749	10	ChEMBL_495127 (CHEMBL1008906)	Agonist activity at human Ghrelin receptor
50038749	11	ChEMBL_495128 (CHEMBL1008907)	Binding affinity to human ERG
50041660	1	ChEMBL_519215 (CHEMBL946654)	Inhibition of oxidosqualene cyclase
50041661	1	ChEMBL_515032 (CHEMBL980843)	Inhibition of bovine mitochondrial MAOA
50041661	2	ChEMBL_515302 (CHEMBL1035637)	Inhibition of bovine mitochondrial MAOB
50041662	1	ChEMBL_519557 (CHEMBL942680)	Agonist activity at human recombinant motilin receptor expressed in CHO cells by calcium mobilization-based FLIPR assay
50041662	2	ChEMBL_519556 (CHEMBL942679)	Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by calcium mobilization-based FLIPR assay
50041662	3	ChEMBL_519559 (CHEMBL942682)	Activity at ghrelin receptor in New Zealand White rabbit gastric antral smooth muscle by calcium mobilization-based FLIPR assay
50027592	5	ChEMBL_519600 (CHEMBL943675)	Agonist activity at mouse GPR40 expressed in HEK293 cells
50038756	1	ChEMBL_515097 (CHEMBL1035605)	Binding affinity to oxytocin receptor
50038756	3	ChEMBL_515099 (CHEMBL1035607)	Antagonist activity at human oxytocin receptor expressed in CHO cells by FLIPR assay
50038756	4	ChEMBL_515100 (CHEMBL1035608)	Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells by filtration binding assay
50038756	5	ChEMBL_515103 (CHEMBL1024625)	Displacement of [3H]oxytocin from human vasopressin V2 receptor expressed in CHO cells by filtration binding assay
50027972	13	ChEMBL_519660 (CHEMBL947811)	Binding affinity to insulin receptor by liquid scintillation counting
50041665	1	ChEMBL_515484 (CHEMBL992211)	Binding affinity to NK3 receptor
50041673	1	ChEMBL_516611 (CHEMBL991387)	Displacement of [3H]5HT from 5HT1B receptor expressed in CHO cells
50041673	2	ChEMBL_516612 (CHEMBL991388)	Displacement of [3H]5HT from 5HT1D receptor expressed in CHO cells
50041673	3	ChEMBL_516613 (CHEMBL991389)	Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells
50041673	4	ChEMBL_516614 (CHEMBL991390)	Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cells
50041673	5	ChEMBL_516615 (CHEMBL991391)	Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells
50041673	6	ChEMBL_516616 (CHEMBL991392)	Displacement of [3H]LSD from 5HT6 receptor expressed in human HeLa cells
50041673	7	ChEMBL_516617 (CHEMBL991393)	Displacement of [3H]prazosin from adrenergic Alpha-1B receptor expressed in CHO cells
50041673	9	ChEMBL_516619 (CHEMBL991395)	Displacement of [125I]iodosulpiride from dopamine D2 receptor expressed in CHO cells
50041673	10	ChEMBL_516620 (CHEMBL991396)	Displacement of [125I]iodosulpiride from dopamine D3 receptor expressed in CHO cells
50041673	11	ChEMBL_516621 (CHEMBL991397)	Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assay
50041676	1	ChEMBL_497297 (CHEMBL995859)	Inhibition of mouse macrophage COX2
50041677	1	ChEMBL_496785 (CHEMBL1008798)	Inhibition of human ERG
50041677	2	ChEMBL_496786 (CHEMBL1008799)	Inhibition of CYP2D6
50041677	3	ChEMBL_496787 (CHEMBL1008800)	Inhibition of CYP3A4
50041677	4	ChEMBL_496756 (CHEMBL1005393)	Displacement of [125I]human urotensin 2 from cat urotensin 2 receptor expressed in HEK293 cells
50041677	5	ChEMBL_496755 (CHEMBL1005392)	Antagonist activity at human urotensin 2 receptor by FLIPR assay
50041677	6	ChEMBL_496753 (CHEMBL1005390)	Antagonist activity at human recombinant urotensin 2 receptor expressed in HEK293 cells assessed as inhibition of intercellular calcium mobilization by FLIPR assay
50041677	7	ChEMBL_496754 (CHEMBL1005391)	Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells
50001584	2	ChEMBL_1728955 (CHEMBL4144233)	Transactivation of human PPARgamma expressed in CHO cells after 24 hrs by luciferase reporter gene assay
50001586	1	ChEMBL_1728982 (CHEMBL4144260)	Inhibition of vitronectin binding to human integrin alphaVbeta3 measured after 4 hrs by ELISA
50001586	2	ChEMBL_1728981 (CHEMBL4144259)	Inhibition of vitronectin binding to integrin alphaVbeta3 in HDF pretreated for 20 mins followed by vitronectin addition measured after 40 mins by crystal violet staining based assay
50001587	1	ChEMBL_1729032 (CHEMBL4144310)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay
50001587	2	ChEMBL_1729033 (CHEMBL4144311)	Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-stimulated Ca2+ flux pretreated for 25 mins followed by acetylacholine addition measured for 90 secs by calcium dye-based fluorescence assay
50041679	1	ChEMBL_492740 (CHEMBL938540)	Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells
50041679	2	ChEMBL_492739 (CHEMBL938539)	Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells
50041679	3	ChEMBL_492738 (CHEMBL938538)	Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells
50041679	4	ChEMBL_492741 (CHEMBL938541)	Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells
50041681	1	ChEMBL_496865 (CHEMBL998534)	Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assay
50041682	1	ChEMBL_496880 (CHEMBL998549)	Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of acetylcholine-induced intracellular Ca2+ mobilization by FLIPR assay
50041682	2	ChEMBL_496879 (CHEMBL998548)	Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular Ca2+ mobilization by FLIPR assay
50041682	3	ChEMBL_496878 (CHEMBL998547)	Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular Ca2+ mobilization by FLIPR assay
50027447	2	ChEMBL_492974 (CHEMBL949440)	Agonist activity at human FFA1 expressed in CHO cells by Gal4 luciferase reporter gene assay
50038774	6	ChEMBL_493052 (CHEMBL953166)	Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity
50038774	7	ChEMBL_493057 (CHEMBL953171)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity
50038774	8	ChEMBL_493054 (CHEMBL953168)	Antagonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as inhibition of histamine-induced positive chronotropic activity
50041684	1	ChEMBL_493446 (CHEMBL942239)	Inhibition of Mycobacterium tuberculosis BAG RV143 MbtA expressed in Escherichia coli BL21 (DE3) assessed as ATP-[32P]PPi exchange by liquid scintillation counting
50041685	1	ChEMBL_493722 (CHEMBL949477)	Displacement of [125I]sauvagine from human recombinant CRF1 receptor expressed in CHO cells by SPA
50041687	1	ChEMBL_541063 (CHEMBL1024763)	Antagonist activity at human recombinant C5a receptor in HEK cells assessed as inhibition of C5a-induced calcium mobilization
50041687	2	ChEMBL_541070 (CHEMBL1024770)	Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by whole cell binding assay
50041687	3	ChEMBL_541072 (CHEMBL1024772)	Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay in presence of [35S]GTPgammaS
50041687	4	ChEMBL_541069 (CHEMBL1024769)	Antagonist activity at human recombinant C5a receptor expressed in HEK cells assessed as inhibition of C5a-induced [35S]GTPgammaS binding
50041687	5	ChEMBL_541071 (CHEMBL1024771)	Displacement of [Alexa647]C5a from human recombinant C5a receptor expressed in HEK cells by membrane binding assay
50041691	1	ChEMBL_542833 (CHEMBL1022110)	Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay
50041691	2	ChEMBL_542835 (CHEMBL1022112)	Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay
50041691	3	ChEMBL_542839 (CHEMBL1022116)	Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay
50041691	4	ChEMBL_542842 (CHEMBL1022119)	Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay
50041692	1	ChEMBL_565939 (CHEMBL960834)	Inhibition of human recombinant PDE4B by scintillation proximity assay
50028237	7	ChEMBL_566261 (CHEMBL953564)	Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay
50028237	8	ChEMBL_566265 (CHEMBL953568)	Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay
50028237	9	ChEMBL_566266 (CHEMBL953569)	Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay
50028237	10	ChEMBL_566267 (CHEMBL953570)	Antagonist activity at human 5HT3 receptor by calcium influx assay
50041694	1	ChEMBL_562318 (CHEMBL1015292)	Agonist activity at human MrgX1 receptor
50041694	2	ChEMBL_562320 (CHEMBL1015294)	Agonist activity at human MrgX2 receptor
50028288	6	ChEMBL_565941 (CHEMBL960836)	Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay
50028288	7	ChEMBL_565944 (CHEMBL960839)	Inhibition of P2X2 receptor
50028288	8	ChEMBL_565949 (CHEMBL960845)	Inhibition of histamine H2 receptor
50028288	9	ChEMBL_565951 (CHEMBL960847)	Inhibition of 5HT3 receptor
50041695	1	ChEMBL_562387 (CHEMBL1018820)	Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50041695	2	ChEMBL_562388 (CHEMBL1018821)	Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR based single concentration kinetic assay
50041695	3	ChEMBL_562390 (CHEMBL1018823)	Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50041695	4	ChEMBL_562391 (CHEMBL1018824)	Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR assay
50041696	1	ChEMBL_567122 (CHEMBL1030801)	Displacement of [125I](R)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-yl)urea from human CCK2 receptor expressed in CHO cells by gamma spectrometry
50041696	2	ChEMBL_567123 (CHEMBL1030802)	Displacement of [125I](S)-1-(3-iodophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea from human CCK1 receptor expressed in CHO cells by gamma spectrometry
50041698	1	ChEMBL_562742 (CHEMBL1022414)	Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells
50041698	2	ChEMBL_562743 (CHEMBL1022415)	Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay
50001591	1	ChEMBL_1729069 (CHEMBL4144347)	Inhibition of CYP2C9 (unknown origin)
50001591	2	ChEMBL_1729041 (CHEMBL4144319)	Inhibition of p300/CBP in human PC3 cells assessed as reduction in acetylated H3K27 levels after 3 hrs by fluorescence assay
50001591	3	ChEMBL_1729040 (CHEMBL4144318)	Inhibition of p300/CBP (unknown origin) using biotinylated synthetic Histone H4 Peptide as substrate pretreated for 30 mins followed by substrate addition measured after 1 hr by radiometric scintillation proximity assay
50001591	4	ChEMBL_1729070 (CHEMBL4144348)	Inhibition of CYP3A4 (unknown origin)
50001591	5	ChEMBL_1729068 (CHEMBL4144346)	Inhibition of CYP2C8 (unknown origin)
50001592	1	ChEMBL_1729080 (CHEMBL4144358)	Inhibition of HDAC2 (unknown origin)
50001592	2	ChEMBL_1729082 (CHEMBL4144360)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells after 30 mins by fluorescence assay
50001592	3	ChEMBL_1729074 (CHEMBL4144352)	Inhibition of NAMPT (unknown origin) using NAM as substrate incubated for 5 mins followed by substrate addition measured after 15 mins by fluorometric method
50001592	4	ChEMBL_1729075 (CHEMBL4144353)	Inhibition of recombinant full length human C-terminal His/flag-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells after 30 mins by fluorescence assay
50001592	5	ChEMBL_1729072 (CHEMBL4144350)	Inhibition of recombinant human full length C-terminal flag-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells after 30 mins by fluorescence assay
50001592	6	ChEMBL_1729071 (CHEMBL4144349)	Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system after 30 mins by fluorescence assay
50001592	7	ChEMBL_1729081 (CHEMBL4144359)	Inhibition of recombinant human N-terminal GST-tagged HDAC4 (612 to end residues) expressed in baculovirus infected Sf9 insect cells after 30 mins by fluorescence assay
50001593	1	ChEMBL_1729091 (CHEMBL4144369)	Activation of CaMKK2-phosphorylated AMPK1 alpha1/beta1/gamma1 (unknown origin) using fluorescein-labeled SAMS peptide as substrate pretreated for 30 mins in presence of AMP followed by substrate addition measured after 60 mins by fluorescence assay
50001594	1	ChEMBL_1729324 (CHEMBL4144602)	Inhibition of human neutrophil elastase using N-Methoxysuccinyl-Ala-Ala-Pro-Val-p-nitroanilid as substrate measured after 1 hr
50001595	1	ChEMBL_1729383 (CHEMBL4144661)	Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay
50001597	1	ChEMBL_1729471 (CHEMBL4144749)	Inhibition of human erythrocyte AChE using S-acetylthiocholine iodide as substrate pretreated for 20 mins followed by substrate addition measured after 30 mins by Ellman's method
50038797	7	ChEMBL_563457 (CHEMBL961005)	Antagonist activity at histamine H3 receptor in isolated guinea pig ileum
50028578	3	ChEMBL_563557 (CHEMBL961844)	Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP
50028578	4	ChEMBL_563559 (CHEMBL961846)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cells
50028377	2	ChEMBL_564583 (CHEMBL964023)	Displacement of [3H]granisetron from human recombinant 5HT3 receptor
50028377	3	ChEMBL_564556 (CHEMBL963183)	Displacement of [3H]granisetron form 5HT3 receptor in hybrid NG180-15 cells
50028377	4	ChEMBL_564555 (CHEMBL963182)	Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane
50028377	5	ChEMBL_564428 (CHEMBL964233)	Binding affinity at 5HT3 receptor
50038826	3	ChEMBL_565687 (CHEMBL960045)	Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetry
50041703	1	ChEMBL_501243 (CHEMBL976145)	Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT
50041703	2	ChEMBL_501245 (CHEMBL976147)	Displacement of [3H]citalopram human SerT receptor expressed in LLCPK cells
50041703	3	ChEMBL_501239 (CHEMBL975274)	Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT
50041703	4	ChEMBL_501241 (CHEMBL975276)	Antagonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT
50041703	5	ChEMBL_501246 (CHEMBL976148)	Displacement of [3H]dofetilide human ERG expressed in CHO cells
50041703	6	ChEMBL_501255 (CHEMBL976157)	Agonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay
50041703	7	ChEMBL_501256 (CHEMBL976158)	Inhibition of human ERG current by whole cell electrophysiology study
50041703	8	ChEMBL_501254 (CHEMBL976156)	Agonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay
50041705	1	ChEMBL_497565 (CHEMBL998622)	Antagonist activity at human CXCR3 expressed in HEK293T cells coexpressing Galphaqi5 assessed as inhibition of CXCL10-induced [3H]inositol phosphate levels by liquid scintillation counting
50041705	2	ChEMBL_497564 (CHEMBL998621)	Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells
50041708	1	ChEMBL_501717 (CHEMBL982353)	Activation of human dopamine D2 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay
50041708	2	ChEMBL_501712 (CHEMBL981460)	Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells
50041708	3	ChEMBL_501713 (CHEMBL981461)	Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells
50041708	4	ChEMBL_501715 (CHEMBL981463)	Activation of human dopamine D3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation proximity assay
50041709	1	ChEMBL_540080 (CHEMBL1036648)	Inhibition of human ERG channel in HEK293 cells by voltage-clamp method
50041710	1	ChEMBL_544427 (CHEMBL1016924)	Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells
50041711	1	ChEMBL_544428 (CHEMBL1016925)	Activation of BK channel in Wistar rat thoracic aorta assessed as relaxation of KCl-induced contraction
50027722	8	ChEMBL_544239 (CHEMBL1010714)	Binding affinity to TP receptor
50027722	9	ChEMBL_544164 (CHEMBL1014228)	Binding affinity to EP1 receptor
50027722	10	ChEMBL_544157 (CHEMBL1013438)	Displacement of [3H]PGE2 from EP1 receptor
50027722	11	ChEMBL_544158 (CHEMBL1013439)	Antagonist activity at EP1 receptor assessed as calcium mobilization by FLIPR assay
50027722	12	ChEMBL_544232 (CHEMBL1009827)	Displacement of [3H]dofetilide from human ERG receptor by FLIPR method
50027722	13	ChEMBL_544231 (CHEMBL1009826)	Activity at PGF2alpha receptor by FLIPR method
50027722	14	ChEMBL_544230 (CHEMBL1009825)	Activity at TP receptor by FLIPR method
50027722	15	ChEMBL_544228 (CHEMBL1009823)	Activity at EP3 receptor by FLIPR method
50041712	1	ChEMBL_540308 (CHEMBL1035839)	Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells
50041712	2	ChEMBL_540310 (CHEMBL1035841)	Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells
50041712	3	ChEMBL_540312 (CHEMBL1035843)	Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells
50041713	1	ChEMBL_540356 (CHEMBL1025699)	Binding affinity to vasopressin V1b receptor by filtration assay
50041713	2	ChEMBL_540357 (CHEMBL1025700)	Binding affinity to vasopressin V2 receptor by filtration assay
50041713	3	ChEMBL_540346 (CHEMBL1025689)	Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay
50041713	4	ChEMBL_540347 (CHEMBL1025690)	Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay
50041713	5	ChEMBL_540348 (CHEMBL1025691)	Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay
50041713	6	ChEMBL_540352 (CHEMBL1025695)	Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay
50041713	7	ChEMBL_540355 (CHEMBL1025698)	Binding affinity to vasopressin V1a receptor by filtration assay
50041713	8	ChEMBL_540354 (CHEMBL1025697)	Displacement of 3H-oxytocin from human recombinant oxytocin receptor expressed in CHO cells by filtration binding assay
50041714	1	ChEMBL_540485 (CHEMBL1030589)	Inhibition of human ENT1
50041715	1	ChEMBL_500314 (CHEMBL973406)	Antagonist activity against human recombinant cannabinoid-1 receptor
50028751	9	ChEMBL_523367 (CHEMBL1007525)	Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by noncompetitive binding assay
50041716	1	ChEMBL_523640 (CHEMBL998011)	Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting
50041716	2	ChEMBL_523641 (CHEMBL998012)	Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of aortic contraction
50041717	1	ChEMBL_523542 (CHEMBL1001556)	Agonist activity at mouse NPSR expressed in HEK293 cells by calcium mobilization assay
50041717	2	ChEMBL_523548 (CHEMBL1001562)	Antagonist activity at human recombinant NK1 receptor expressed in CHO cells assessed as inhibition of NPS-induced intracellular calcium mobilization
50041717	3	ChEMBL_523549 (CHEMBL1001563)	Antagonist activity at human recombinant bradykinin 2 receptor expressed in CHO cells assessed as inhibition of bradykinin-induced intracellular calcium mobilization
50041717	4	ChEMBL_523550 (CHEMBL1001564)	Antagonist activity at human recombinant urotensin 2 receptor expressed in CHO cells assessed as inhibition of urotensin 2-induced intracellular calcium mobilization
50041717	5	ChEMBL_523551 (CHEMBL1001565)	Antagonist activity at human recombinant mu opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dermorphin-induced intracellular calcium mobilization
50041717	7	ChEMBL_523553 (CHEMBL1001567)	Antagonist activity at human recombinant kappa opioid receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of dynorphin A-induced intracellular calcium mobilization
50041717	8	ChEMBL_523554 (CHEMBL1001568)	Antagonist activity at human recombinant NOP receptor expressed in CHO cells coexpressing alphaqi5 assessed as inhibition of N/OFQ-induced intracellular calcium mobilization
50041717	9	ChEMBL_523563 (CHEMBL1001577)	Antagonist activity at human recombinant PAR2 expressed in A549 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization
50028846	4	ChEMBL_520157 (CHEMBL947845)	Binding affinity to human recombinant BHMT expressed in Escherichia coli using variable levels of betaine substrate by Dixon plot
50038849	2	ChEMBL_521736 (CHEMBL1005026)	Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitation spectrofluorimetric analysis
50038849	3	ChEMBL_521737 (CHEMBL1005027)	Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitation spectrofluorimetric analysis
50041718	1	ChEMBL_522126 (CHEMBL1006578)	Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells
50018252	2	ChEMBL_2267987	Displacement of [3H]-DPDPE from human DOR expressed in CHO cell membranes measured after 2 hrs by microbeta scintillation counting method
50041720	1	ChEMBL_521562 (CHEMBL1000710)	Inhibition of 5HT7 receptor by radioligand binding assay
50041721	1	ChEMBL_521570 (CHEMBL1004181)	Inhibition of Nav1.4 ion channel assessed as reduction in cumulative sodium current
50041722	1	ChEMBL_502283 (CHEMBL983954)	Inhibition of human recombinant IKK2
50041722	2	ChEMBL_502284 (CHEMBL983955)	Inhibition of human recombinant IKK1
50041722	3	ChEMBL_502285 (CHEMBL983956)	Inhibition of human recombinant ROCK1
50041722	5	ChEMBL_502288 (CHEMBL983959)	Inhibition of Aurora A kinase
50041722	6	ChEMBL_502289 (CHEMBL983960)	Inhibition of GSK3-beta kinase
50041723	1	ChEMBL_498162 (CHEMBL979852)	Displacement of [3H]substance P from human recombinant NK1 receptor expressed in CHO cells
50041724	1	ChEMBL_498198 (CHEMBL980730)	Inhibition of human placental beta-glucocerebrosidase
50041725	1	ChEMBL_498215 (CHEMBL968795)	Antagonist activity at human cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay
50041725	2	ChEMBL_498487 (CHEMBL970589)	Antagonist activity at rat cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay
50038858	3	ChEMBL_498706 (CHEMBL971540)	Agonist activity at N-terminal HA epitope-tagged wild type 1 human P2Y2 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium level
50041726	1	ChEMBL_501027 (CHEMBL978937)	Inhibition of c-Src
50028580	9	ChEMBL_500480 (CHEMBL1009657)	Inhibition of EP2 receptor
50028580	10	ChEMBL_500481 (CHEMBL1009658)	Inhibition of EP3 receptor by FLIPR assay
50028580	11	ChEMBL_500482 (CHEMBL1009659)	Inhibition of FP receptor
50028580	12	ChEMBL_500483 (CHEMBL1009660)	Inhibition of IP receptor
50028580	13	ChEMBL_500484 (CHEMBL1009661)	Inhibition of TP receptor
50028580	14	ChEMBL_500488 (CHEMBL1009665)	Inhibition of EP4 receptor
50028580	15	ChEMBL_500469 (CHEMBL1009646)	Displacement of [3H]PGE2 from human EP1 receptor expressed in CHO cells
50028580	16	ChEMBL_500468 (CHEMBL1009645)	Antagonist activity at human recombinant EP1 receptor expressed in CHO cells assessed as inhibition of PGE2-mediated intracellular calcium mobilization by FLIPR method
50041727	1	ChEMBL_572012 (CHEMBL1023674)	Inhibition of human ERG in MCF7 cells
50041728	1	ChEMBL_572014 (CHEMBL1023676)	Inhibition of mouse CYP2A5
50001598	1	ChEMBL_1729472 (CHEMBL4144750)	Inhibition of ACE (unknown origin) using hippuryl-L-histidyl-L-leucine as substrate preincubated with substrate for 30 mins followed by enzyme addition measured after 30 mins by LC/MS analysis
50001599	1	ChEMBL_1729499 (CHEMBL4144777)	Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay
50001599	2	ChEMBL_1729496 (CHEMBL4144774)	Inhibition of PDE5A1 (unknown origin) using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay
50001600	1	ChEMBL_1729516 (CHEMBL4144794)	Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after 24 hrs
50001600	2	ChEBML_1729515	Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment by Lanthascreen TR-FRET assay
50001600	3	ChEMBL_1729515 (CHEMBL4144793)	Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment by Lanthascreen TR-FRET assay
50041729	1	ChEMBL_570538 (CHEMBL1026910)	Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay
50041729	2	ChEMBL_570539 (CHEMBL1026911)	Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay
50001601	1	ChEMBL_1729554 (CHEMBL4144832)	Inhibition of human LeuRS assessed as reduction in ATP consumption
50001601	2	ChEMBL_1729553 (CHEMBL4144831)	Inhibition of Staphylococcus aureus LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption
50001601	3	ChEMBL_1729552 (CHEMBL4144830)	Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption
50001601	4	ChEMBL_1729550 (CHEMBL4144828)	Displacement of IK-698 from Escherichia coli LeuRS by isothermal titration calorimetric calorimetry
50001601	5	ChEMBL_1729551 (CHEMBL4144829)	Binding affinity to Escherichia coli LeuRS by isothermal titration calorimetric calorimetry
50001601	6	ChEMBL_1729565 (CHEMBL4144843)	Inhibition of Trypanosoma brucei LeuRS assessed as reduction in protein synthesis pretreated for 20 mins in presence of [14C]Leu followed by ATP addition measured after 15 mins by scintillation counting method
50001601	7	ChEMBL_1729566 (CHEMBL4144844)	Inhibition of human cytoplasmic LeuRS assessed as reduction in protein synthesis measured after 10 mins in presence of [3H]Leu by scintillation counting method
50001602	1	ChEMBL_1729573 (CHEMBL4144851)	Inhibition of recombinant human CYP2D6 expressed in insect microsomes using AMMC as substrate preincubated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
50001602	2	ChEMBL_1729574 (CHEMBL4144852)	Inhibition of CYP3A4 (unknown origin) using BFC as substrate
50041730	2	ChEMBL_570758 (CHEMBL1026933)	Inhibition of PTP1B
50001602	3	ChEMBL_1729576 (CHEMBL4144854)	Inhibition of CYP2C19 (unknown origin)
50001602	4	ChEMBL_1729567 (CHEMBL4144845)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 stimulation measured for 90 secs
50001602	5	ChEMBL_1729568 (CHEMBL4144846)	Antagonist activity at mAChR M3 in human CCRF-CEM cells assessed as inhibition of acetylcholine-mediated calcium flux incubated for 25 mins followed by acetylcholine stimulation measured for 90 secs
50041730	3	ChEMBL_570757 (CHEMBL1026932)	Inhibition of urokinase
50001602	6	ChEMBL_1729575 (CHEMBL4144853)	Inhibition of CYP2C8 (unknown origin)
50001604	1	ChEMBL_1729586 (CHEMBL4144864)	Inhibition of RSV long strain fusion protein infected in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 5 days by CCK8 assay
50041731	1	ChEMBL_571268 (CHEMBL1024394)	Inhibition of LCK SH2 domain
50041731	2	ChEMBL_571269 (CHEMBL1024395)	Inhibition of c-SRC SH2 domain
50030305	5	ChEMBL_572890 (CHEMBL1035252)	Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining
50038875	2	ChEMBL_571747 (CHEMBL1032992)	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in presence of 0.05% fatty acid free bovine serum albumin
50038875	1	ChEMBL_571746 (CHEMBL1032991)	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli TX685 assessed as NADH production by fluorescence assay in absence of 0.05% fatty acid free bovine serum albumin
50038875	5	ChEMBL_571751 (CHEMBL1032996)	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli guaB assessed as NADH production by fluorescence assay
50041732	1	ChEMBL_571759 (CHEMBL1033004)	Inhibition of rat recombinant FAAH-mediated hydrolysis of [3H]AEA
50041733	2	ChEMBL_574510 (CHEMBL1030349)	Antagonist activity at human P2X7 receptor expressed in human U373 cells assessed as inhibition of BzATP-induced Yo-Pro uptake
50041733	1	ChEMBL_574385 (CHEMBL1028693)	Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake
50041733	3	ChEMBL_574395 (CHEMBL1028703)	Antagonist activity at P2X7 receptor in human THP1 cells assessed as effect on BzATP-induced Yo-Pro uptake
50041733	4	ChEMBL_574390 (CHEMBL1028698)	Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake
50041733	5	ChEMBL_574519 (CHEMBL1030358)	Antagonist activity at P2X7 receptor in human lymphocytes assessed as inhibition of ATP-induced Ba2+ influx
50041733	6	ChEMBL_574503 (CHEMBL1030342)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium influx
50041733	7	ChEMBL_574511 (CHEMBL1030350)	Inhibition of human P2X7 receptor assessed as inhibition of BzATP-induced IL1-beta release
50041734	1	ChEMBL_575171 (CHEMBL1024518)	Binding affinity to human adenosine A3 receptor expressed in human HeLa cells
50041734	2	ChEMBL_575170 (CHEMBL1024517)	Binding affinity to rat cortex adenosine A1 receptor
50041734	3	ChEMBL_575169 (CHEMBL1024516)	Binding affinity to human adenosine A2a receptor expressed in human HeLa cells
50041734	4	ChEMBL_575168 (CHEMBL1023664)	Binding affinity to human adenosine A2b receptor expressed in HEK293 cells
50041735	1	ChEMBL_576568 (CHEMBL1034549)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting
50041735	2	ChEMBL_576569 (CHEMBL1034550)	Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting
50018252	3	ChEMBL_2267988	Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting method
50030350	1	ChEMBL_576753 (CHEMBL1032020)	Inhibition of CoCl2-induced HIF1alpha expression in mouse 4T1 cells transfected with oxygen-dependent-degradation domain of HIFalpha by luciferase reporter gene assay
50041736	1	ChEMBL_574168 (CHEMBL1060369)	Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cells
50041736	2	ChEMBL_574169 (CHEMBL1060370)	Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells
50041736	3	ChEMBL_574170 (CHEMBL1060371)	Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cells
50041737	1	ChEMBL_577523 (CHEMBL1057875)	Antagonist activity at human dopamine D2 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry
50041737	2	ChEMBL_577524 (CHEMBL1057876)	Displacement of [3H]dofetilide from human ERG channel by scintillation proximity assay
50041737	3	ChEMBL_577522 (CHEMBL1057874)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells by [35S]GTP-gamma-S-based scintillation spectrometry
50041737	4	ChEMBL_577538 (CHEMBL1057890)	Binding affinity to human dopamine D3 receptor by filtration binding assay
50041737	5	ChEMBL_577539 (CHEMBL1057891)	Binding affinity to human dopamine D2 receptor by filtration binding assay
50041737	6	ChEMBL_577540 (CHEMBL1057892)	Binding affinity to dopamine D3 receptor in rat native tissue by filtration binding assay
50030379	3	ChEMBL_578216 (CHEMBL1062219)	Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay
50030379	4	ChEMBL_578220 (CHEMBL1063993)	Antagonist activity at human neuropeptide Y2 receptor by [35]GTPgammaS assay
50030379	5	ChEMBL_578217 (CHEMBL1062220)	Antagonist activity at human neuropeptide Y1 receptor expressed in CHO cells by [35]GTPgammaS assay
50030379	6	ChEMBL_578218 (CHEMBL1063057)	Antagonist activity at human neuropeptide Y5 receptor expressed in HEK293 cells by FLIPR/Ca2+ method
50030379	7	ChEMBL_578225 (CHEMBL1063998)	Inhibition of human ERG
50038889	11	ChEMBL_580036 (CHEMBL1053986)	Inhibition of mouse sEH
50041738	1	ChEMBL_577764 (CHEMBL1053071)	Displacement of [3H]GR-113808 from human 5HT4b receptor expressed in COS7 cell membrane by scintillation counting
50041738	2	ChEMBL_577765 (CHEMBL1053072)	Displacement of [3H]GR-113808 from human recombinant 5HT4b receptor expressed in HEK293 cells by scintillation counting
50030442	4	ChEMBL_579667 (CHEMBL1064087)	Agonist activity at GPR109a receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay
50030443	2	ChEMBL_579688 (CHEMBL1053202)	Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis
50041740	1	ChEMBL_581324 (CHEMBL1050974)	Agonist activity at human CB2 receptor expressed in CHO cells by [35]GTPgammaS binding assay
50030459	8	ChEMBL_581537 (CHEMBL1059840)	Antagonist activity at human EP3 receptor expressed in cells assessed as mobilization of intracellular calcium by FLIPR assay
50030459	9	ChEMBL_581539 (CHEMBL1060738)	Inhibition of human EP2 receptor by radioligand binding assay
50030459	10	ChEMBL_581540 (CHEMBL1060739)	Inhibition of human EP4 receptor by radioligand binding assay
50030459	11	ChEMBL_581543 (CHEMBL1060742)	Displacement of [3H]PGF2a from human recombinant FP receptor expressed in HEK293 cells by scintillation counting
50030459	12	ChEMBL_581546 (CHEMBL1060745)	Inhibition of rat EP3 receptor
50030459	13	ChEMBL_581548 (CHEMBL1060747)	Agonist activity at human EP3 receptor
50030459	14	ChEMBL_581538 (CHEMBL1059841)	Inhibition of human EP1 receptor by radioligand binding assay
50030459	15	ChEMBL_581541 (CHEMBL1060740)	Inhibition of human TP receptor by radioligand binding assay
50030461	1	ChEMBL_581707 (CHEMBL1058905)	Inhibition of rat cerebella nNOS synthase assessed as [3H]arginine to [3H]citrulline conversion by microbeta scintillation counting
50041741	1	ChEMBL_582204 (CHEMBL1059864)	Antagonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50041741	2	ChEMBL_582205 (CHEMBL1059865)	Displacement of [3H]dofetilide from human ERG channel by scintillation proximity assay
50041741	3	ChEMBL_582203 (CHEMBL1059863)	Antagonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50041741	4	ChEMBL_582221 (CHEMBL1059881)	Antagonist activity at human recombinant 5HT2A expressed in HEK293 cells assessed as intracellular calcium by fluorimetry
50041741	5	ChEMBL_582222 (CHEMBL1059882)	Antagonist activity at dopamine D4 receptor
50041742	1	ChEMBL_582671 (CHEMBL1051045)	Inhibition of NET
50041742	2	ChEMBL_582670 (CHEMBL1051044)	Inhibition of SERT
50041742	3	ChEMBL_582672 (CHEMBL1051046)	Inhibition of DAT
50041743	1	ChEMBL_580474 (CHEMBL1052501)	Agonist activity at GR in human A549 cells by NF-kappaB transrepression assay
50041744	1	ChEMBL_581585 (CHEMBL1062472)	Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage
50041744	2	ChEMBL_581586 (CHEMBL1062473)	Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage
50041744	3	ChEMBL_581587 (CHEMBL1062474)	Inhibition of human liver cathepsin B assessed as inhibition of fluorogenic substrate cleavage
50041744	4	ChEMBL_581588 (CHEMBL1062475)	Inhibition of cathepsin K assessed as inhibition of fluorogenic substrate cleavage
50041744	5	ChEMBL_581589 (CHEMBL1062476)	Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage
50041745	1	ChEMBL_582869 (CHEMBL1051107)	Binding affinity to ecdysone receptor ligand binding domain in Drosophila melanogaster assessed as number of hydrogen bonds formed
50041746	1	ChEMBL_583010 (CHEMBL1051848)	Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting
50041746	2	ChEMBL_583012 (CHEMBL1051850)	Agonist activity at human 5HT4C receptor expressed in HEK293 cells assessed as accumulation of cAMP by flash plate adenylyl cyclase activation assay
50041747	1	ChEMBL_584109 (CHEMBL1051116)	Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54
50041747	2	ChEMBL_584110 (CHEMBL1051117)	Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii
50038917	16	ChEMBL_586376 (CHEMBL1061941)	Inhibition of MST2 in the presence of 50uM ATP
50041748	1	ChEMBL_588343 (CHEMBL1037685)	Antagonist activity at Alpha-1D adrenoceptor in Wistar rat thoracic aorta assessed as inhibition of noradrenaline-induced contraction after 30 mins
50041748	2	ChEMBL_588344 (CHEMBL1037686)	Antagonist activity at Alpha-1B adrenoceptor in guinea pig spleen assessed as inhibition of noradrenaline-induced contraction after 30 mins
50041749	1	ChEMBL_588520 (CHEMBL1041260)	Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT assay
50038925	3	ChEMBL_587769 (CHEMBL1040420)	Agonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as increase in intracellular calcium release by fluorescence assay
50041750	2	ChEMBL_587793 (CHEMBL1042247)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50041750	3	ChEMBL_587796 (CHEMBL1043074)	Displacement of [3H]N-alpha-methylhistamine from histamine H1 receptor expressed in SK-N-MC cells
50041750	4	ChEMBL_587797 (CHEMBL1043075)	Displacement of [3H]N-alpha-methylhistamine from histamine H4 receptor expressed in SK-N-MC cells
50041750	6	ChEMBL_587795 (CHEMBL1043073)	Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in SK-N-MC cells
50041751	1	ChEMBL_588025 (CHEMBL1048360)	Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis
50041752	1	ChEMBL_590246 (CHEMBL1059283)	Displacement of [3H]SCH23390 from human dopamine D1 receptor
50041752	2	ChEMBL_590247 (CHEMBL1059284)	Displacement of [3H]spiperone from human dopamine D3 receptor
50041752	3	ChEMBL_590248 (CHEMBL1059285)	Displacement of [3H]mesulergine from human 5HT2C receptor
50041752	4	ChEMBL_590242 (CHEMBL1059279)	Displacement of [3H]spiperone from human cloned dopamine D2 receptor
50041752	5	ChEMBL_590244 (CHEMBL1059281)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor
50041753	1	ChEMBL_590509 (CHEMBL1058556)	Agonist activity at human NPFF2 receptor expressed in cells assessed as beta-galactosidase levels after 5 days
50041753	2	ChEMBL_590511 (CHEMBL1058558)	Agonist activity at human NPFF1 receptor expressed in cells assessed as beta-galactosidase levels after 5 days
50018252	4	ChEMBL_2267995	Agonist activity at MOR (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 60 mins by liquid scintillation counting analysis
50038940	11	ChEMBL_592422 (CHEMBL1037808)	Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by competitive binding assay
50041754	1	ChEMBL_588925 (CHEMBL1063840)	Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins
50041754	2	ChEMBL_588926 (CHEMBL1063841)	Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane
50041755	1	ChEMBL_589403 (CHEMBL1058424)	Inhibition of human HRI kinase
50038949	2	ChEMBL_589621 (CHEMBL1052174)	Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay
50030668	2	ChEMBL_590314 (CHEMBL1054437)	Inhibition of human CDK5/p25 assessed as histone h1 phosphorylation in presence of ATP
50041756	1	ChEMBL_592877 (CHEMBL1046622)	Inhibition of recombinant rat ALDH activity in liver mitochondria
50041756	2	ChEMBL_592876 (CHEMBL1046621)	Inhibition of human recombinant FAAH-maltose binding protein
50041756	3	ChEMBL_592875 (CHEMBL1046620)	Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting
50041757	1	ChEMBL_593382 (CHEMBL1040510)	Agonist activity at TGR5 expressed in human U2-OS cells assessed as increase in MRE/CRE-driven gene expression by luciferase reporter gene assay
50041757	2	ChEMBL_593388 (CHEMBL1040516)	Agonist activity at human TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assay
50041757	3	ChEMBL_593389 (CHEMBL1040517)	Agonist activity at rat TGR5 expressed in melanophores assessed as melanosome dispersion by melanophore assay
50041757	4	ChEMBL_593406 (CHEMBL1040534)	Inhibition of CYP2C19
50041757	5	ChEMBL_593408 (CHEMBL1040536)	Inhibition of CYP1A2
50041757	6	ChEMBL_593409 (CHEMBL1040537)	Inhibition of CYP2C9
50041757	7	ChEMBL_593410 (CHEMBL1040538)	Inhibition of CYP2D6
50041757	8	ChEMBL_593407 (CHEMBL1040535)	Inhibition of CYP3A4
50041757	9	ChEMBL_593412 (CHEMBL1040540)	Displacement of dofetilide from human ERG
50041758	1	ChEMBL_594120 (CHEMBL1036929)	Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells by patch clamp method
50041758	2	ChEMBL_594036 (CHEMBL1045843)	Inhibition of wild type human ERG expressed in CHOK1 cells by whole-cell plate-based electrophysiology
50041758	3	ChEMBL_594037 (CHEMBL1045844)	Antagonist activity at human CCR8
50041759	1	ChEMBL_598588 (CHEMBL1044429)	Binding affinity to human DRD3 receptor by GTPgammaS binding assay
50041759	2	ChEMBL_598589 (CHEMBL1044430)	Binding affinity to human DRD2 receptor by GTPgammaS binding assay
50041759	3	ChEMBL_598590 (CHEMBL1044431)	Displacement of [3H]dofetilide from human ERG
50041759	4	ChEMBL_598593 (CHEMBL1044434)	Binding affinity to 5HT2A receptor
50041759	5	ChEMBL_598594 (CHEMBL1044435)	Binding affinity to DAD4 receptor
50041759	6	ChEMBL_598574 (CHEMBL1043566)	Agonistic activity at DRD2 receptor
50041759	7	ChEMBL_598575 (CHEMBL1043567)	Agonistic activity at DRD3 receptor
50041759	8	ChEMBL_598576 (CHEMBL1043568)	Antagonistic activity at human DRD2 receptor by filtration binding assay
50041759	9	ChEMBL_598577 (CHEMBL1043569)	Antagonistic activity at rat DRD3 receptor
50041759	10	ChEMBL_598579 (CHEMBL1043571)	Antagonistic activity at human DRD3 receptor by filtration binding assay
50041760	1	ChEMBL_599733 (CHEMBL1048177)	Inhibition of human recombinant PDE4B by scintillation proximity assay
50041761	1	ChEMBL_600187 (CHEMBL1045524)	Displacement of fluormone PL RED from progesterone receptor after 2 hrs
50041761	2	ChEMBL_600189 (CHEMBL1045526)	Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay
50041761	3	ChEMBL_600190 (CHEMBL1045527)	Binding affinity to androgen receptor
50041761	4	ChEMBL_600191 (CHEMBL1045528)	Agonist activity at androgen receptor expressed in CV-1 cells by MMTV luciferase reporter assay
50041761	5	ChEMBL_600192 (CHEMBL1045529)	Inhibition of CYP1A2
50041761	6	ChEMBL_600193 (CHEMBL1045530)	Inhibition of CYP2C19
50041761	7	ChEMBL_600194 (CHEMBL1045531)	Inhibition of CYP2D6
50041761	8	ChEMBL_600195 (CHEMBL1045532)	Inhibition of CYP3A4
50041761	9	ChEMBL_600196 (CHEMBL1045533)	Inhibition of CYP2C9
50041762	1	ChEMBL_598630 (CHEMBL1048133)	Inhibition of CDK5/p25 by scintillation proximity assay
50041762	2	ChEMBL_598644 (CHEMBL1048147)	Inhibition of human CDK5/p25 expressed in CHO cells after 2 hrs by whole cell assay
50018252	5	ChEMBL_2267997	Agonist activity at DOR (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 60 mins by liquid scintillation counting analysis
50041764	1	ChEMBL_595444 (CHEMBL1045209)	Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting
50041764	2	ChEMBL_595445 (CHEMBL1045210)	Displacement of [125I]-CCK-8S from CCK2R after 100 mins by liquid scintillation counting
50041765	1	ChEMBL_595453 (CHEMBL1045218)	Displacement of [125I]-CCK-8S from human CCK-1R after 100 mins by liquid scintillation counting
50041765	2	ChEMBL_595454 (CHEMBL1045219)	Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting
50041766	1	ChEMBL_597019 (CHEMBL1041863)	Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by luciferase reporter gene assay
50041766	2	ChEMBL_597011 (CHEMBL1041855)	Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transformation by R-SAT assay
50041767	1	ChEMBL_597715 (CHEMBL1043502)	Agonist activity at human CB2 receptor expressed in yeast cells
50041767	2	ChEMBL_597718 (CHEMBL1043505)	Agonist activity at human CB1 receptor expressed in yeast cells
50041768	1	ChEMBL_595094 (CHEMBL1047080)	Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting
50041768	4	ChEMBL_595092 (CHEMBL1047078)	Agonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50001605	1	ChEMBL_1729600 (CHEMBL4144878)	Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected Sf9 insect cells using histone H3 (1 to 50 residues)-GGK as substrate after 2 hrs in presence of SAM by fluorescence assay
50001605	2	ChEMBL_1729632 (CHEMBL4144910)	Inhibition of EZH2 in human WSU-DLCL2 cells assessed as reduction in H3K27 trimethylation after 3 days by Western blot analysis
50001605	3	ChEMBL_1729631 (CHEMBL4144909)	Inhibition of EZH2 in human Pfeiffer cells assessed as reduction in H3K27 trimethylation after 3 days by Western blot analysis
50041768	6	ChEMBL_595089 (CHEMBL1047075)	Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50030886	4	ChEMBL_595911 (CHEMBL1041777)	Inhibition of human Cathepsin G
50030886	5	ChEMBL_595912 (CHEMBL1041778)	Inhibition of human Chymase
50030886	6	ChEMBL_595914 (CHEMBL1041780)	Inhibition of human Elastase
50030886	7	ChEMBL_595923 (CHEMBL1041781)	Inhibition of human Kallikrein 4
50030886	8	ChEMBL_595928 (CHEMBL1041782)	Inhibition of human Proteinase K
50030886	9	ChEMBL_595930 (CHEMBL1041783)	Inhibition of human tPA
50030886	10	ChEMBL_595869 (CHEMBL1040853)	Inhibition of human Caspase 1
50030886	11	ChEMBL_595872 (CHEMBL1040856)	Inhibition of human Caspase 4
50030886	12	ChEMBL_595873 (CHEMBL1040857)	Inhibition of human Caspase 5
50030886	13	ChEMBL_595874 (CHEMBL1040858)	Inhibition of human Caspase 6
50030886	14	ChEMBL_595880 (CHEMBL1040860)	Inhibition of human Caspase 14
50030886	15	ChEMBL_595882 (CHEMBL1040862)	Inhibition of human Cathepsin C
50030886	16	ChEMBL_595888 (CHEMBL1040868)	Inhibition of papaya papain
50030886	17	ChEMBL_595889 (CHEMBL1040869)	Inhibition of human Cathepsin X/Z
50030886	18	ChEMBL_595905 (CHEMBL1041774)	Inhibition of human MMP14
50030886	19	ChEMBL_595906 (CHEMBL1041775)	Inhibition of human TACE
50001606	1	ChEMBL_1729639 (CHEMBL4144917)	Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretreated for 15 mins followed by substrate addition measured after 60 mins by CPM dye based fluorescence assay
50001606	2	ChEMBL_1729688 (CHEMBL4144966)	Inhibition of CYP2C19 (unknown origin) using S-mephenytoin as substrate
50001606	3	ChEMBL_1729642 (CHEMBL4144920)	Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA as substrates pretreated for 30 mins in presence of C10-DAG followed by [3H]-labelled decanoyl-CoA addition measured after 60 mins by microbeta counting method
50001606	4	ChEMBL_1729643 (CHEMBL4144921)	Inhibition of recombinant rat DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA as substrates pretreated for 30 mins in presence of C10-DAG followed by [3H]-labelled decanoyl-CoA addition measured after 60 mins by microbeta counting method
50001606	5	ChEMBL_1729686 (CHEMBL4144964)	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate
50001606	6	ChEMBL_1729703 (CHEMBL4144981)	Inhibition of ACAT2 (unknown origin) by radiometric method
50001606	7	ChEMBL_1729685 (CHEMBL4144963)	Inhibition of Cav1.2 (unknown origin) by QPatch assay
50001606	8	ChEMBL_1729696 (CHEMBL4144974)	Activation at PXR (unknown origin)
50001606	9	ChEMBL_1729701 (CHEMBL4144979)	Inhibition of recombinant human DGAT2 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and [3H]-labelled decanoyl-CoA as substrates pretreated for 30 mins in presence of C10-DAG followed by [3H]-labelled decanoyl-CoA addition measured after 60 mins by microbeta counting method
50001606	10	ChEMBL_1729702 (CHEMBL4144980)	Inhibition of ACAT1 (unknown origin) by radiometric method
50001606	11	ChEMBL_1729704 (CHEMBL4144982)	Inhibition of recombinant human DGAT1 expressed in baculovirus infected Sf9 insect microsomal membranes using C10-DAG and C10-CoA as substrate pretreated for 30 mins followed by substrate addition measured after 60 mins by CPM dye based fluorescence assay
50041769	1	ChEMBL_596255 (CHEMBL1048031)	Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting
50041769	2	ChEMBL_596256 (CHEMBL1048032)	Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting
50041769	3	ChEMBL_596259 (CHEMBL1048035)	Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation counting
50041769	4	ChEMBL_596257 (CHEMBL1048033)	Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting
50041769	7	ChEMBL_596258 (CHEMBL1048034)	Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting
50039012	2	ChEMBL_595001 (CHEMBL1039859)	Inhibition of alphavbeta3 integrin-mediated cell adhesion in human SK-MEL-24 cells on fibronectin coated plate after 30 mins
50039012	3	ChEMBL_595002 (CHEMBL1039860)	Inhibition of alphavbeta3 integrin-mediated cell adhesion in HUVEC on vitronectin coated plate after 30 mins
50041770	1	ChEMBL_595183 (CHEMBL1040025)	Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane
50041771	1	ChEMBL_601037 (CHEMBL1069174)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting
50041771	2	ChEMBL_601035 (CHEMBL1069172)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50041771	3	ChEMBL_601032 (CHEMBL1069169)	Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane
50039018	15	ChEMBL_601123 (CHEMBL1074538)	Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding
50030944	2	ChEMBL_606507 (CHEMBL1065458)	Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry
50030944	3	ChEMBL_606508 (CHEMBL1065459)	Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry
50030944	4	ChEMBL_606509 (CHEMBL1065460)	Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry
50030944	5	ChEMBL_606513 (CHEMBL1065464)	Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry in presence of 10 uM glycine
50030944	6	ChEMBL_606514 (CHEMBL1065465)	Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry in presence of 10 uM glycine
50030944	7	ChEMBL_606512 (CHEMBL1065463)	Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry in presence of 10 uM glycine
50030958	2	ChEMBL_603858 (CHEMBL1046475)	Displacement of [125I]ET1 from endothelin B receptor in DBA mouse microsomes
50030959	2	ChEMBL_604062 (CHEMBL1046851)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in Sf9 cells co-expressing RGS4
50030959	3	ChEMBL_604063 (CHEMBL1046852)	Displacement of [3H]tiotidine from GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells
50041772	1	ChEMBL_605174 (CHEMBL1067396)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by microplate scintillation counting
50041772	2	ChEMBL_605172 (CHEMBL1067394)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by microplate scintillation counting
50041772	3	ChEMBL_605173 (CHEMBL1067395)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by microplate scintillation counting
50041772	4	ChEMBL_605175 (CHEMBL1067397)	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by microplate scintillation counting
50041772	5	ChEMBL_605176 (CHEMBL1067398)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by microplate scintillation counting
50041773	1	ChEMBL_603026 (CHEMBL1047687)	Allosteric modulation of human mGluR2 expressed in CHO cells by [35S]GTPgammaS binding assay
50041774	1	ChEMBL_603064 (CHEMBL1047725)	Inhibition of PDE4B catalytic domain by scintillation proximity assay
50001606	12	ChEMBL_1729683 (CHEMBL4144961)	Inhibition of human ERG by QPatch assay
50001606	13	ChEMBL_1729684 (CHEMBL4144962)	Inhibition of Nav1.5 (unknown origin) by QPatch assay
50001606	14	ChEMBL_1729687 (CHEMBL4144965)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate
50001606	15	ChEMBL_1729689 (CHEMBL4144967)	Inhibition of CYP2D6 (unknown origin) using DEX as substrate
50001606	16	ChEMBL_1729682 (CHEMBL4144960)	Inhibition of DGAT1 in mouse C2C12 cells using [14C] oleic acid as substrate measured after 20 mins by phosphorimaging method
50001606	17	ChEMBL_1729690 (CHEMBL4144968)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50001608	1	ChEMBL_1729706 (CHEMBL4144984)	Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide-induced co-activator SRC1 peptide recruitment after 1 hr by FRET based LANCE assay
50001608	2	ChEMBL_1729708 (CHEMBL4144986)	Inverse agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide-induced co-activator SRC1 peptide recruitment after 1 hr by dual FRET based LANCE assay
50001608	3	ChEMBL_1729710 (CHEMBL4144988)	Agonist activity at biotinylated RORgammat LBD (unknown origin) assessed as co-activator SRC1 peptide recruitment after 1 hr by dual FRET based LANCE assay
50001608	4	ChEMBL_1729714 (CHEMBL4144992)	Antagonist activity at biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide-induced co-activator SRC1 peptide recruitment after 1 hr by dual FRET based LANCE assay
50001608	5	ChEMBL_1729705 (CHEMBL4144983)	Inverse agonist activity at RORgammat in mouse CD positive T cells assessed as inhibition of Th17 cell differentiation by measuring 1L-17 release after 3 days by ELISA
50041776	1	ChEMBL_604256 (CHEMBL1050401)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells
50041777	1	ChEMBL_605056 (CHEMBL1071918)	Agonist activity at mGluR1
50041777	2	ChEMBL_605057 (CHEMBL1071919)	Antagonist activity at mGluR1
50041777	3	ChEMBL_605058 (CHEMBL1071920)	Agonist activity at mGluR5
50041777	4	ChEMBL_605059 (CHEMBL1071921)	Antagonist activity at mGluR5
50041777	5	ChEMBL_605060 (CHEMBL1071922)	Positive modulation of mGluR5
50041777	6	ChEMBL_605053 (CHEMBL1071915)	Positive modulation of human mGluR2 expressed in CHO cells co-expressing Ga16 G-protein assessed as glutamate-induced response by FLIPR assay
50041777	7	ChEMBL_605055 (CHEMBL1071917)	Agonist activity at human mGluR2 expressed in CHO cells co-expressing Ga16 G-protein assessed as glutamate-induced response by FLIPR assay
50041777	8	ChEMBL_605062 (CHEMBL1071924)	Antagonist activity at human D2 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay
50041777	9	ChEMBL_605063 (CHEMBL1071925)	Antagonist activity at human D3 receptor expressed in CHO cells co-expressing G0 by [35S]GTPgammaS binding assay
50041777	10	ChEMBL_605064 (CHEMBL1071926)	Antagonist activity at human D4 receptor expressed in HEK293 cells co-expressing Gqo5 G-protein by FLIPR assay
50031043	18	ChEMBL_605237 (CHEMBL1069317)	Inhibition of MMP25
50041778	1	ChEMBL_605640 (CHEMBL1070562)	Agonist activity at human CB2 receptor
50041778	2	ChEMBL_605642 (CHEMBL1070564)	Agonist activity at human CB1 receptor
50039038	3	ChEMBL_610924 (CHEMBL1067647)	Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot
50039038	4	ChEMBL_610923 (CHEMBL1067646)	Displacement of [3H]MTX from human PCFT expressed in Chinese hamster R2 cells at pH 6.8 by Dixon plot
50041779	1	ChEMBL_608969 (CHEMBL1073111)	Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular cAMP level in absence of human serum albumin
50041779	2	ChEMBL_608970 (CHEMBL1073112)	Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular cAMP level in presence of human serum albumin
50041780	1	ChEMBL_608993 (CHEMBL1073135)	Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase reporter gene assay
50041780	2	ChEMBL_608999 (CHEMBL1073141)	Inhibition of CYP2C19
50041780	3	ChEMBL_609000 (CHEMBL1073142)	Inhibition of CYP3A4
50039045	2	ChEMBL_610349 (CHEMBL1072081)	Displacement of Eu-labeled galanin from human GalR1 by DELFIA competitive assay
50039045	5	ChEMBL_610353 (CHEMBL1072085)	Binding affinity to rat GalR2
50041781	1	ChEMBL_610659 (CHEMBL1071679)	Displacement of [3H]GW2433 from human PPARalpha receptor by ligand displacement assay
50041781	2	ChEMBL_610660 (CHEMBL1071680)	Inhibition of human PPARgamma receptor by ligand displacement assay
50041781	3	ChEMBL_610662 (CHEMBL1072323)	Antagonist activity at human PPARdelta ligand binding domain-mediated transcriptional activity in CV1 cells by Gal4 chimera reporter assay
50041781	4	ChEMBL_610661 (CHEMBL1072322)	Inhibition of human PPARdelta receptor by ligand displacement assay
50041782	1	ChEMBL_611641 (CHEMBL1071011)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cells by microplate beta scintillation counter
50041782	2	ChEMBL_611640 (CHEMBL1071010)	Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by microplate beta scintillation counter
50041782	3	ChEMBL_611639 (CHEMBL1071009)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells by microplate beta scintillation counter
50041782	4	ChEMBL_611638 (CHEMBL1071008)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells by microplate beta scintillation counter
50031123	42	ChEMBL_611986 (CHEMBL1072193)	Inhibition of BUB1
50041783	1	ChEMBL_610789 (CHEMBL1068106)	Inhibition of BChE from equine serum by Ellman's method
50041783	2	ChEMBL_610788 (CHEMBL1068105)	Inhibition of electric eel AChE by Ellman's method
50031153	13	ChEMBL_610383 (CHEMBL1070022)	Inhibition of Cdc14A expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry
50031157	7	ChEMBL_613773 (CHEMBL1068920)	Displacement of [3H]dofetilidine from human ERG by scintillation proximity assay
50031157	8	ChEMBL_613774 (CHEMBL1068921)	Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay
50031157	9	ChEMBL_613776 (CHEMBL1068923)	Displacement of [3H]citalopram from mouse cortex SERT by filtration binding assay
50031157	10	ChEMBL_613766 (CHEMBL1068913)	Inhibition of histamine H1 receptor
50031173	3	ChEMBL_613433 (CHEMBL1069544)	Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorganic phosphate
50031173	4	ChEMBL_613434 (CHEMBL1069545)	Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM inorganic phosphate
50031173	5	ChEMBL_613435 (CHEMBL1069546)	Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inorganic phosphate
50031173	6	ChEMBL_613436 (CHEMBL1069547)	Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorganic phosphate
50031173	7	ChEMBL_613437 (CHEMBL1069548)	Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM inorganic phosphate
50031173	8	ChEMBL_613438 (CHEMBL1069549)	Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1 mM inorganic phosphate
50041784	1	ChEMBL_613511 (CHEMBL1072277)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells
50041784	2	ChEMBL_613512 (CHEMBL1072278)	Inverse agonist activity at human histamine H4 receptor expressed in HEK293T cells by CRE-beta-galactosidase assay
50041784	3	ChEMBL_613516 (CHEMBL1074193)	Binding affinity to rat histamine H4 receptor
50041785	1	ChEMBL_612957 (CHEMBL1070909)	Activation of KCNQ2/KCNQ3 expressed in CHO cells by isotopic efflux assay
50001609	1	ChEMBL_1729715 (CHEMBL4144993)	Inhibition of human ROMK2 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay
50041786	1	ChEMBL_612226 (CHEMBL1074166)	Inhibition of Plasmodium falciparum falcipain-2
50041787	1	ChEMBL_612722 (CHEMBL1069594)	Antagonist activity at P2X1 receptor
50041787	2	ChEMBL_612723 (CHEMBL1069595)	Antagonist activity at P2X2 receptor
50041787	3	ChEMBL_612724 (CHEMBL1069596)	Antagonist activity at P2X4 receptor
50041787	4	ChEMBL_612725 (CHEMBL1069597)	Antagonist activity at P2X5 receptor
50041787	5	ChEMBL_612727 (CHEMBL1069599)	Antagonist activity at P2X7 receptor
50041787	6	ChEMBL_612711 (CHEMBL1069583)	Antagonist activity at rat P2X3 receptor expressed in CHO cells
50041787	7	ChEMBL_612726 (CHEMBL1069598)	Antagonist activity at P2X6 receptor
50041787	8	ChEMBL_612716 (CHEMBL1069588)	Antagonist activity at human P2X3 receptor
50041788	1	ChEMBL_621741 (CHEMBL1108473)	Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy
50041788	2	ChEMBL_621742 (CHEMBL1108474)	Inhibition of histidine-tagged human recombinant p38alpha after 120 mins by TR-FRET assay
50041788	3	ChEMBL_621743 (CHEMBL1108475)	Inhibition of N-terminal GST-tagged p38alpha expressed in Escherichia coli by fluorescence anisotropy
50041788	4	ChEMBL_621744 (CHEMBL1108476)	Inhibition of N-terminal histidine-tagged human full length JNK1-alpha-1 by radiometric filter binding assay
50041788	5	ChEMBL_621745 (CHEMBL1108477)	Inhibition of N-terminal histidine-tagged human full length JNK3 by radiometric filter binding assay
50041788	6	ChEMBL_621746 (CHEMBL1108478)	Inhibition of N-terminal GST-tagged human full length Erk2 by radiometric filter binding assay
50041788	7	ChEMBL_621737 (CHEMBL1108469)	Inhibition of N-terminal histidine-tagged human full length JNK2-alpha-2 by radiometric filter binding assay
50041788	8	ChEMBL_621751 (CHEMBL1108483)	Inhibition of B-Raf
50041788	9	ChEMBL_621752 (CHEMBL1108484)	Inhibition of c-Fms
50041788	10	ChEMBL_621754 (CHEMBL1108486)	Inhibition of EGFR
50041788	11	ChEMBL_621756 (CHEMBL1108488)	Inhibition of GSK3-beta
50041788	12	ChEMBL_621757 (CHEMBL1108489)	Inhibition of IKKalpha
50041788	13	ChEMBL_621739 (CHEMBL1108471)	Inhibition of JNK3 by high throughput screening
50041788	14	ChEMBL_621738 (CHEMBL1108470)	Inhibition of JNK1 by high throughput screening
50041788	15	ChEMBL_621740 (CHEMBL1108472)	Inhibition of p38alpha by high throughput screening
50041788	16	ChEMBL_621759 (CHEMBL1108491)	Inhibition of LCK
50041788	17	ChEMBL_621760 (CHEMBL1108492)	Inhibition of MLK3
50041788	18	ChEMBL_621761 (CHEMBL1108493)	Inhibition of PLK1
50041788	19	ChEMBL_621762 (CHEMBL1108494)	Inhibition of ROCK1
50041788	20	ChEMBL_621763 (CHEMBL1108495)	Inhibition of SGK1
50041788	21	ChEMBL_621753 (CHEMBL1108485)	Inhibition of CDK2
50041788	22	ChEMBL_621755 (CHEMBL1108487)	Inhibition of ErbB2
50041788	23	ChEMBL_621758 (CHEMBL1108490)	Inhibition of IKK-beta
50041789	1	ChEMBL_619204 (CHEMBL1100890)	Inhibition of catalytic activity of human IRAP transfected in HEK293 cells assessed as formation of p-nitroaniline
50041789	2	ChEMBL_619203 (CHEMBL1100889)	Inhibition of catalytic activity of human aminopeptidase N transfected in HEK293 cells assessed as formation of p-nitroaniline
50041789	3	ChEMBL_619207 (CHEMBL1101081)	Displacement of [3H]valsartan from human recombinant AT1 receptor expressed in CHO cells after 40 mins by liquid scintillation counting
50041790	1	ChEMBL_621959 (CHEMBL1104101)	Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay
50041790	2	ChEMBL_621961 (CHEMBL1104103)	Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay
50041790	3	ChEMBL_621968 (CHEMBL1104110)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells
50041790	4	ChEMBL_621969 (CHEMBL1104111)	Displacement of [3H]tiotidine from human histamine H2 receptor expressed in Sf9 cells
50041790	5	ChEMBL_621970 (CHEMBL1104112)	Displacement of [3H]N-alpah-methylhistamine from human histamine H3 receptor expressed in Sf9 cells
50041790	6	ChEMBL_621971 (CHEMBL1104113)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells
50041790	7	ChEMBL_621958 (CHEMBL1104100)	Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay
50041790	8	ChEMBL_621960 (CHEMBL1104102)	Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-state GTPase assay
50031333	7	ChEMBL_622562 (CHEMBL1117506)	Agonist activity at human ghrelin receptor
50031333	8	ChEMBL_622559 (CHEMBL1117503)	Agonist activity at human recombinant motilin receptor expressed in CHO cells by FLIPR assay
50031333	9	ChEMBL_622576 (CHEMBL1109288)	Inhibition of human ERG
50041791	1	ChEMBL_620285 (CHEMBL1105070)	Displacement of [3H]nisoxetine from human NET expressed in COS7 cells
50041792	1	ChEMBL_621288 (CHEMBL1105963)	Inhibition of human CDK1/cyclinB
50031375	7	ChEMBL_622010 (CHEMBL1107671)	Displacement of [3H]dofetidile from human ERG by scintillation proximity assay
50041793	1	ChEMBL_619386 (CHEMBL1115812)	Inhibition of human cathepsin K
50031454	2	ChEMBL_614259 (CHEMBL1106922)	Activity at histamine H1 receptor
50031454	3	ChEMBL_614260 (CHEMBL1106923)	Displacement of [3H]dofetilide from human ERG by scintillation proximity assay
50041796	1	ChEMBL_614999 (CHEMBL1116876)	Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting
50041796	2	ChEMBL_615000 (CHEMBL1116877)	Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting
50041796	3	ChEMBL_614997 (CHEMBL1116874)	Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting
50041796	4	ChEMBL_614998 (CHEMBL1116875)	Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting
50041797	1	ChEMBL_615925 (CHEMBL1099771)	Displacement of [3H]prazosin from human Alpha-1D adrenergic receptor expressed in CHO cells
50041797	2	ChEMBL_615926 (CHEMBL1099772)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in human HeLa cells
50041797	3	ChEMBL_615772 (CHEMBL1100126)	Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cells
50041797	4	ChEMBL_615773 (CHEMBL1100127)	Displacement of [3H]prazosin from human Alpha-1B adrenergic receptor expressed in CHO cells
50041798	1	ChEMBL_625087 (CHEMBL1112536)	Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of cortisol-induced renilla luciferase transactivation activity
50041798	2	ChEMBL_625088 (CHEMBL1112537)	Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as renilla luciferase transactivation activity
50041798	3	ChEMBL_625091 (CHEMBL1112540)	Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells assessed as inhibition of aldosterone-induced effect
50041798	4	ChEMBL_625092 (CHEMBL1112541)	Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells
50041798	5	ChEMBL_625093 (CHEMBL1112542)	Antagonist activity at human progesterone receptor B expressed in african green monkey CV1 cells assessed as inhibition of progesterone-induced effect
50041798	6	ChEMBL_625094 (CHEMBL1112543)	Antagonist activity at human progesterone receptor B expressed in african green monkey CV1 cells
50041798	7	ChEMBL_625095 (CHEMBL1112544)	Inhibition of human PDE4B by ATP-luciferace luminescence assay
50001609	2	ChEMBL_1729725 (CHEMBL4145003)	Inhibition of rat ROMK1 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay
50001609	3	ChEMBL_1729723 (CHEMBL4145001)	Inhibition of human ROMK1 expressed in HEK293 cells after 20 mins by Thallos-AM dye based fluorescence assay
50001609	4	ChEMBL_1729718 (CHEMBL4144996)	Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates
50041799	4	ChEMBL_625548 (CHEMBL1109728)	Agonist activity at LXRalpha ligand binding domain-mediated transcriptional activity in african green monkey CV1 cells co-transfected with Gal4-SRC1 by luciferase reporter assay
50041800	1	ChEMBL_628657 (CHEMBL1106423)	Antagonist activity at 5HT1A
50001609	5	ChEMBL_1729724 (CHEMBL4145002)	Inhibition of human ROMK1 expressed in HEK293 cells at -75 mV holding potential by whole cell patch clamp method
50001610	1	ChEBML_1729728	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 1 hr
50001610	2	ChEMBL_1729728 (CHEMBL4145006)	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 1 hr
50001610	5	ChEMBL_1729729 (CHEMBL4145007)	Inhibition of human IDO1 expressed in HEK293 cells assessed as reduction in kynurenine production after 30 mins
50001610	3	ChEBML_1729733	Inhibition of recombinant human 6His-tagged TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in kynurenine production using L-tryptophan as substrate after 1 hr
50001610	4	ChEMBL_1729735 (CHEMBL4145013)	Inhibition of human IDO1 expressed in Escherichia coli BL21 (DE3) using L-tryptophan as substrate
50001614	1	ChEMBL_1729736 (CHEMBL4145014)	Binding affinity to recombinant human MMP12 catalytic domain (Gly106 to Gly26 residues) expressed in Escherichia coli BL21 codon plus by 1D 1H aliphatic NMR spectra analysis
50001614	2	ChEMBL_1729738 (CHEMBL4145016)	Inhibition of recombinant human MMP12 catalytic domain (Gly106 to Gly26 residues) expressed in Escherichia coli BL21 codon plus using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorescence assay
50001614	3	ChEMBL_1729737 (CHEMBL4145015)	Binding affinity to recombinant human MMP12 catalytic domain (Gly106 to Gly26 residues) expressed in Escherichia coli BL21 codon plus by 2D [15N,1H] HMQC spectra analysis
50001619	1	ChEMBL_1729747 (CHEMBL4145025)	Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using RET S1 as substrate incubated for 1 min followed by substrate addition measured after 15 mins by FRET assay
50001621	1	ChEMBL_1729768 (CHEMBL4145046)	Displacement of p53 from MDM2 in human U87MG cells incubated for 10 mins by sandwich ELISA method
50001621	2	ChEMBL_1729767 (CHEMBL4145045)	Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA
50001621	3	ChEMBL_1729766 (CHEMBL4145044)	Inhibition of fibronectin binding to soluble alpha5beta1 integrin (unknown origin) after 1 hr by ELISA
50031685	3	ChEMBL_631344 (CHEMBL1105681)	Inhibition of human 11-beta-HSD1
50031685	4	ChEMBL_631345 (CHEMBL1105682)	Inhibition of mouse 11-beta-HSD1
50041803	1	ChEMBL_629242 (CHEMBL1121356)	Agonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as increase in intracellular calcium levels by fluorimetric assay
50041803	2	ChEMBL_629245 (CHEMBL1121359)	Antagonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium levels by fluorimetric assay
50018252	6	ChEMBL_2267999	Agonist activity at KOR (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 60 mins by liquid scintillation counting analysis
50018255	1	ChEMBL_2268005	Inhibition of PP2A (unknown origin)
50018255	2	ChEMBL_2268007	Inhibition of PP5 (unknown origin)
50041804	1	ChEMBL_629907 (CHEMBL1105728)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by beta scintillation counting
50041804	2	ChEMBL_629908 (CHEMBL1108372)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NSCA-induced cAMP accumulation pre-incubated for 15 mins by enzyme immunoassay
50041804	3	ChEMBL_629909 (CHEMBL1108373)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 180 mins by beta scintillation counting
50041804	4	ChEMBL_629910 (CHEMBL1108374)	Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NSCA-induced decrease in cAMP level pre-incubated for 15 mins by enzyme immunoassay
50041804	5	ChEMBL_629911 (CHEMBL1108375)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by beta scintillation counting
50041804	6	ChEMBL_629912 (CHEMBL1108376)	Antagonist activity at human adenosine A1 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NSCA-induced decrease in cAMP level pre-incubated for 15 mins by enzyme immunoassay
50041804	7	ChEMBL_629913 (CHEMBL1108377)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 30 mins by beta scintillation counting
50041804	8	ChEMBL_629914 (CHEMBL1108378)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NSCA-induced cAMP accumulation pre-incubated for 15 mins by enzyme immunoassay
50041805	1	ChEMBL_632127 (CHEMBL1103861)	Inhibition of rat P2X7 receptor assessed as inhibition of ethidium bromide accumulation
50041805	2	ChEMBL_632126 (CHEMBL1103860)	Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation
50041806	1	ChEMBL_629740 (CHEMBL1121100)	Agonist activity at histamine H2 receptor in spontaneously beating guinea pig atrium
50041806	2	ChEMBL_629743 (CHEMBL1121103)	Agonist activity at GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay
50041806	3	ChEMBL_629745 (CHEMBL1121257)	Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay
50041806	4	ChEMBL_629747 (CHEMBL1121259)	Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay
50041806	5	ChEMBL_629749 (CHEMBL1121261)	Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 and RGS4 by steady-state GTPase activity assay
50041806	6	ChEMBL_629751 (CHEMBL1121263)	Activity at human recombinant GAIP-fused histamine H4 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 by steady-state GTPase activity assay
50039159	4	ChEMBL_633109 (CHEMBL1118492)	Inhibition of recombinant beta-glucocerebrosidase after 10 mins by fluorimetry
50041807	2	ChEMBL_633592 (CHEMBL1120420)	Displacement of [3H]neurokinin A from human NK2 receptor
50041808	1	ChEMBL_635521 (CHEMBL1118104)	Displacement of [3H]LSD form human recombinant 5HT6 receptor
50041809	1	ChEMBL_635648 (CHEMBL1119540)	Transactivation of PPARgamma assessed as induction of alkaline phosphatase activity
50031785	3	ChEMBL_635658 (CHEMBL1119550)	Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production by scintillation proximity assay
50018255	3	ChEMBL_2268008	Inhibition of PP6 (unknown origin)
50041810	1	ChEMBL_634028 (CHEMBL1118001)	Binding affinity to human recombinant PTP1B
50041811	1	ChEMBL_634435 (CHEMBL1119461)	Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after 30 to 45 mins
50001621	4	ChEMBL_1729826 (CHEMBL4145104)	Binding affinity to full length human MDM4 by fluorescence polarization assay
50001621	5	ChEMBL_1729769 (CHEMBL4145047)	Displacement of p53 from MDM4 in human SHSY-5Y cells incubated for 10 mins by sandwich ELISA method
50041811	3	ChEMBL_634434 (CHEMBL1119460)	Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after 30 to 45 mins
50041812	1	ChEMBL_634771 (CHEMBL1119507)	Displacement of fluorescent-labeled Dexamethasone from GR by fluorescent polarization assay
50041812	2	ChEMBL_634773 (CHEMBL1119509)	Binding affinity to AR
50041812	3	ChEMBL_634774 (CHEMBL1119510)	Binding affinity to PR
50041812	4	ChEMBL_634772 (CHEMBL1119508)	Activity at GR in human A549 cells by NF-kappaB transrepression assay
50041812	5	ChEMBL_634775 (CHEMBL1119511)	Antagonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as inhibition of dexamethasone-induced luciferase transactivation activity after 24 hrs
50041812	6	ChEMBL_634778 (CHEMBL1119514)	Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity after 24 hrs
50041813	1	ChEMBL_634948 (CHEMBL1117802)	Antagonist activity at human 5HT6 expressed in CHO cells by FLIPR 384 assay
50041813	2	ChEMBL_634949 (CHEMBL1117803)	Displacement of [3H]dofetolide from human ERG channel in HEK293 cells
50041814	1	ChEMBL_635227 (CHEMBL1117838)	Inhibition of human muscarinic M2 receptor expressed in CHO cells
50041814	2	ChEMBL_635229 (CHEMBL1117840)	Inhibition of human muscarinic M4 receptor expressed in CHO cells
50041814	3	ChEMBL_635230 (CHEMBL1117841)	Inhibition of human muscarinic M5 receptor expressed in CHO cells
50041814	4	ChEMBL_635228 (CHEMBL1117839)	Inhibition of human muscarinic M3 receptor expressed in CHO cells
50041814	5	ChEMBL_635221 (CHEMBL1117832)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FLIPR assay
50041815	1	ChEMBL_635559 (CHEMBL1118276)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FLIPR assay
50041815	2	ChEMBL_635570 (CHEMBL1118805)	Inhibition of human muscarinic M3 receptor expressed in CHO cells
50041815	3	ChEMBL_635571 (CHEMBL1118806)	Inhibition of human muscarinic M4 receptor expressed in CHO cells
50041815	4	ChEMBL_635572 (CHEMBL1118807)	Inhibition of human muscarinic M5 receptor expressed in CHO cells
50041815	5	ChEMBL_635569 (CHEMBL1118804)	Inhibition of human muscarinic M2 receptor expressed in CHO cells
50041816	1	ChEMBL_635574 (CHEMBL1118809)	Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level
50041816	2	ChEMBL_635573 (CHEMBL1118808)	Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes
50041816	3	ChEMBL_635575 (CHEMBL1118810)	Binding affinity to human mGluR5
50041817	1	ChEMBL_640105 (CHEMBL1174375)	Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs
50041817	2	ChEMBL_640109 (CHEMBL1174379)	Antagonist activity at mouse CCR2
50041817	3	ChEMBL_640108 (CHEMBL1174378)	Antagonist activity at human CCR1 assessed as inhibition of MIP-1-alpha-induced [35S]-GTPgammaS binding after 3 to 4 hrs
50041817	4	ChEMBL_640107 (CHEMBL1174377)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis in presence of 1% human serum
50041817	5	ChEMBL_640106 (CHEMBL1174376)	Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis in presence of 1% fetal bovine serum
50041817	6	ChEMBL_640120 (CHEMBL1174520)	Inhibition of CYP1A2
50041817	7	ChEMBL_640119 (CHEMBL1174519)	Binding affinity to human ERG by fluorescence-polarization binding assay
50041817	8	ChEMBL_640126 (CHEMBL1174526)	Antagonist activity at CCR5
50041817	9	ChEMBL_640124 (CHEMBL1174524)	Inhibition of CYP3A4
50041817	10	ChEMBL_640123 (CHEMBL1174523)	Inhibition of CYP2D6
50041817	11	ChEMBL_640125 (CHEMBL1174525)	Antagonist activity at CCR4
50041817	12	ChEMBL_640122 (CHEMBL1174522)	Inhibition of CYP2C9
50041817	13	ChEMBL_640121 (CHEMBL1174521)	Inhibition of CYP2C19
50041818	1	ChEMBL_640132 (CHEMBL1174532)	Inhibition of Escherichia coli beta-galactosidase at 1 mM
50041819	1	ChEMBL_640636 (CHEMBL1175466)	Inhibition of CDK1/Cyclin B after 15 mins
50039203	5	ChEMBL_640777 (CHEMBL1175769)	Antagonist activity at rat histamine H3 receptor expressed in human SK-N-MC cells assessed as inhibition of forskolin-induced cAMP accumulation after 6 hrs
50041820	1	ChEMBL_639971 (CHEMBL1174131)	Inhibition of CYP2C9
50041821	1	ChEMBL_640438 (CHEMBL1174864)	Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins
50041821	2	ChEMBL_640515 (CHEMBL1175164)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in human HeLa cells after 30 mins
50041821	3	ChEMBL_640516 (CHEMBL1175165)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-A1 cells after 60 mins
50041822	1	ChEMBL_643307 (CHEMBL1177478)	Agonist activity against human urotensin 2 receptor expressed in human NIH373 cells assessed as beta-galactosidase activity after 5 days by R-SAT assay
50039242	5	ChEMBL_643253 (CHEMBL1177064)	Inhibition of CYP2D6
50039242	6	ChEMBL_643254 (CHEMBL1177065)	Inhibition of CYP2C9
50039242	7	ChEMBL_643255 (CHEMBL1177066)	Inhibition of CYP2C19
50039242	8	ChEMBL_643256 (CHEMBL1177067)	Inhibition of CYP1A2
50039242	2	ChEMBL_643223 (CHEMBL1177034)	Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting
50039244	6	ChEMBL_642213 (CHEMBL1176922)	Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting
50039244	7	ChEMBL_642191 (CHEMBL1176742)	Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation counting
50039244	8	ChEMBL_642190 (CHEMBL1176741)	Displacement of [3H]nisoxetine from NET in mouse brain
50039244	9	ChEMBL_642189 (CHEMBL1176740)	Displacement of [3H]WIN-35428 from DAT in mouse brain
50041823	1	ChEMBL_644452 (CHEMBL1211290)	Inhibition of CCR2
50031991	7	ChEMBL_644636 (CHEMBL1211615)	Inhibition of human ERG
50041824	1	ChEMBL_643414 (CHEMBL1212278)	Antagonist activity at human P2X7 receptor ethidium bromide release assay
50041824	2	ChEMBL_643415 (CHEMBL1212279)	Antagonist activity at rat P2X7 receptor ethidium bromide release assay
50041825	1	ChEMBL_643572 (CHEMBL1212436)	Antagonist activity at human alpha4 nAChR in human IMR32 cells
50041825	2	ChEMBL_643570 (CHEMBL1212434)	Antagonist activity at human alpha3 nAChR in human IMR32 cells
50041825	3	ChEMBL_643569 (CHEMBL1212433)	Antagonist activity at human alpha1 nAChR in human TE671 cells
50041825	4	ChEMBL_643571 (CHEMBL1212435)	Antagonist activity at human 5HT3 receptor
50041825	5	ChEMBL_643567 (CHEMBL1212431)	Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 assessed as calcium mobilization by FLIPR assay
50032002	46	ChEMBL_643593 (CHEMBL1212457)	Inhibition of mouse TRPV1 receptor
50041826	1	ChEMBL_643979 (CHEMBL1211878)	Inhibition of Pseudomonas aeruginosa Peptide deformylase by fluorescence analysis
50032026	5	ChEMBL_644140 (CHEMBL1212039)	Antagonist activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay
50032026	6	ChEMBL_644149 (CHEMBL1212048)	Inhibition of human ERG
50032026	7	ChEMBL_644153 (CHEMBL1212052)	Antagonist activity at human NPY Y2 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay
50032026	8	ChEMBL_644152 (CHEMBL1212051)	Antagonist activity at human NPY Y1 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay
50041827	1	ChEMBL_644193 (CHEMBL1212092)	Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after 5 hrs by luciferase reporter gene assay
50041827	2	ChEMBL_644194 (CHEMBL1212093)	Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells
50041827	3	ChEMBL_644195 (CHEMBL1212094)	Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells
50032029	2	ChEMBL_644789 (CHEMBL1211032)	Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome
50039252	4	ChEMBL_645024 (CHEMBL1211473)	Antagonist activity at glucocorticoid receptor ligand binding domain by two hybrid assay
50039252	5	ChEMBL_645026 (CHEMBL1211475)	Antagonist activity at mineralocorticoid receptor ligand binding domain by two hybrid assay
50039254	3	ChEMBL_645071 (CHEMBL1211577)	Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells
50032039	4	ChEMBL_648989 (CHEMBL1218687)	Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting
50032039	3	ChEMBL_648994 (CHEMBL1218692)	Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting
50032054	8	ChEMBL_646884 (CHEMBL1217025)	Inhibition of human OAT1
50032054	9	ChEMBL_646885 (CHEMBL1217026)	Inhibition of human OAT3
50041828	1	ChEMBL_647126 (CHEMBL1217267)	Inhibition of rat recombinant NAAA expressed in HEK293 cells after 30 mins
50032064	8	ChEMBL_647521 (CHEMBL1217461)	Activity at methyl transferase activity SET8/preSet7 by enzyme coupled S-adenocylehomocystein detection assay
50032068	2	ChEMBL_647602 (CHEMBL1219953)	Inhibition of human HAT by FRET assay
50041829	1	ChEMBL_649328 (CHEMBL1219026)	Inhibition of human IMPDH1
50041829	2	ChEMBL_649329 (CHEMBL1219027)	Inhibition of human IMPDH2
50032101	3	ChEMBL_649220 (CHEMBL1218918)	Inhibition of human recombinant matriptase 2 expressed in HEK293 cells in conditioned medium after 20 mins
50032101	4	ChEMBL_649221 (CHEMBL1218919)	Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 mins
50018255	4	ChEMBL_2268009	Inhibition of human PP2AC using [3H]-phosphohistone as substrate
50018255	5	ChEMBL_2268010	Inhibition of human PP5 using [3H]-phosphohistone as substrate
50018255	6	ChEMBL_2268012	Inhibition of PP5 (unknown origin) using [3H]-phosphohistone as substrate by liquid scintillation counting analysis
50018255	7	ChEMBL_2268022	Inhibition of PP6 (unknown origin) using [3H]-phosphohistone as substrate by liquid scintillation counting analysis
50018255	8	ChEMBL_2268025	Activation of recombinant human PP5 (16 to 499 residues) Escherichia coli BL21 (DE3) using pNPP incubated for 60 mins
50018256	1	ChEMBL_2268031	Binding affinity to STAT3 (unknown origin) by SPR analysis
50018256	2	ChEMBL_2268032	Inhibition of STAT3 (unknown origin) DNA binding activity by EMSA
50018256	3	ChEMBL_2268033	Inhibition of STAT3 phosphorylation in human HL-60 cells
50018256	4	ChEMBL_2268034	Inhibition of STAT3 phosphorylation in human MOLM-13 cells
50018256	5	ChEMBL_2268035	Inhibition of STAT3 phosphorylation in human Kasumi 1 cells
50018256	6	ChEMBL_2268036	Inhibition of STAT3 dependent transcriptional activity in human HeLa cells
50018256	7	ChEMBL_2268037	Binding affinity to STAT3 (unknown origin) by MST analysis
50018256	8	ChEMBL_2268038	Binding affinity to recombinant human STAT3 by biolayer interferometry analysis
50018256	9	ChEMBL_2268046	Inhibition of STAT3 (unknown origin) dimerization
50018256	10	ChEMBL_2268047	Inhibition of STAT3 (unknown origin)
50018256	11	ChEMBL_2268048	Inhibition of STAT5a (unknown origin)
50032106	4	ChEMBL_649391 (CHEMBL1219089)	Inhibition of KAT2 in human prefrontal cortex homogenates
50032106	5	ChEMBL_649389 (CHEMBL1219087)	Inhibition of human recombinant MBP-KAT2 expressed in HEK293 cells assessed as conversion of L-kynurenine to kynurenic acid after 1 hr
50041830	1	ChEMBL_649582 (CHEMBL1219280)	Inhibition of human RAD51 assessed as dissociation of protein/single-stranded DNA complex formation by fluorescence polarimetry
50041830	2	ChEMBL_649583 (CHEMBL1219281)	Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry
50041830	3	ChEMBL_649584 (CHEMBL1219282)	Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry
50041830	4	ChEMBL_649580 (CHEMBL1219278)	Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence polarimetry
50032114	2	ChEMBL_653483 (CHEMBL1226686)	Displacement of [3H]5-[(3-hydroxypropyl)thio]-3-methyl-1-[2-(methyl-t)propyl-2,3-t2]-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione from human MCT1 expressed in INS1 cell membrane
50041831	1	ChEMBL_650262 (CHEMBL1224920)	Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting
50041831	2	ChEMBL_650269 (CHEMBL1224927)	Inverse agonist activity at human wild-type histamine H1 receptor assessed as NF-kappaB activation after 48 hrs by luciferase reporter gene assay
50041832	1	ChEMBL_653029 (CHEMBL1226232)	Inhibition of Mycobacterium smegmatis ATCC 607 ATP synthase subunit c-mediated ATP synthesis after 60 mins by luminometry
50032136	3	ChEMBL_651185 (CHEMBL1227950)	Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for 15 mins by FLIPR assay
50041833	1	ChEMBL_651721 (CHEMBL1228411)	Inhibition of human P2X7 receptor by ethidium bromide release assay
50041833	2	ChEMBL_651729 (CHEMBL1228419)	Inhibition of rat P2X7 receptor by ethidium bromide release assay
50041834	1	ChEMBL_651956 (CHEMBL1227629)	Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobilization by FLPR assay
50041834	2	ChEMBL_651957 (CHEMBL1227630)	Antagonist activity at vasopressin 1a receptor
50041834	3	ChEMBL_651958 (CHEMBL1227631)	Antagonist activity at vasopressin 2 receptor
50041834	4	ChEMBL_651959 (CHEMBL1227632)	Antagonist activity at oxytocin receptor
50041835	1	ChEMBL_651969 (CHEMBL1227642)	Antagonist activity at human 5HT2A receptor expressed in HEK cells assessed as intracellular calcium luminescence by aequorin assay
50041835	2	ChEMBL_651970 (CHEMBL1227643)	Antagonist activity at human 5HT2B receptor expressed in human SHSY5Y cells by FLPR assay
50041835	3	ChEMBL_651968 (CHEMBL1227641)	Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells by FLPR assay
50041835	4	ChEMBL_651971 (CHEMBL1227644)	Antagonist activity at human 5HT2C receptor expressed in human SHSY5Y cells by FLPR assay
50041836	1	ChEMBL_652046 (CHEMBL1227856)	Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins
50041836	2	ChEMBL_652045 (CHEMBL1227855)	Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins
50018256	12	ChEMBL_2268051	Inhibition of STAT3 (unknown origin) transcriptional activity expressed in MDA-MB-231 cells
50018259	1	ChEMBL_2268093	Inhibition of human SIRT6 using H3K9 myristoyl-peptide substrate
50018259	2	ChEMBL_2268094	Inhibition of SIRT1 (unknown origin)
50018259	3	ChEMBL_2268095	Activation of GST-tagged SIRT6 (unknown origin) deacetylase activity using H3K9Ac peptide substrate by HPLC
50018259	4	ChEMBL_2268096	Activation of human SIRT6 deacetylase activity expressed in Escherichia coli BL21(DE3) expressed in Escherichia coli using H3K9Ac peptide substrate
50041837	1	ChEMBL_652494 (CHEMBL1225697)	Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay
50041837	2	ChEMBL_652495 (CHEMBL1225698)	Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay
50041837	3	ChEMBL_652497 (CHEMBL1225700)	Inhibition of human ERG
50041838	1	ChEMBL_652866 (CHEMBL1226069)	Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimeric G-protein assessed as effect on calcium mobilization by FLIPR assay
50041838	2	ChEMBL_652867 (CHEMBL1226070)	Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay
50041838	3	ChEMBL_652863 (CHEMBL1226066)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay
50041838	4	ChEMBL_652864 (CHEMBL1226067)	Agonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 chimeric G-protein assessed as effect on calcium mobilization by FLIPR assay
50041838	5	ChEMBL_652865 (CHEMBL1226068)	Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay
50039276	6	ChEMBL_660339 (CHEMBL1249835)	Inhibition of CDK5 at 10 mM
50041839	1	ChEMBL_654559 (CHEMBL1243603)	Inhibition of KDR
50041839	2	ChEMBL_654560 (CHEMBL1243604)	Inhibition of cKIT
50041839	3	ChEMBL_654561 (CHEMBL1243605)	Inhibition of Tie2
50032222	4	ChEMBL_654658 (CHEMBL1243702)	Inhibition of caspase3
50032222	5	ChEMBL_654659 (CHEMBL1243703)	Inhibition of tissue transglutaminase
50032222	6	ChEMBL_654660 (CHEMBL1243704)	Inhibition of UCHL3
50032222	7	ChEMBL_654661 (CHEMBL1243705)	Inhibition of isopeptidase T
50041840	1	ChEMBL_655558 (CHEMBL1244602)	Inhibition of human VEGFR2 after 60 mins
50041842	1	ChEMBL_659849 (CHEMBL1246739)	Binding affinity to 5HT6 receptor
50018259	5	ChEMBL_2268097	Activation of recombinant His-tagged SIRT6 (unknown origin) deacetylase activity expressed in Escherichia coli using H3K9Ac peptide substrate
50018259	6	ChEMBL_2268098	Activation of SIRT6 (unknown origin) deacetylase activity
50018259	7	ChEMBL_2268100	Inhibition of SIRT6 (unknown origin)
50032241	9	ChEMBL_657982 (CHEMBL1248763)	Inhibition of human ERG tail current by patch clamp electrophysiology assay
50032241	10	ChEMBL_657972 (CHEMBL1248651)	Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay
50041844	1	ChEMBL_658410 (CHEMBL1247281)	Binding affinity to 5HT1A receptor
50041844	2	ChEMBL_658238 (CHEMBL1246630)	Displacement [3H]prazosin of human recombinant Alpha-1B adrenergic receptor expressed in CHO cells by rapid filtration technique
50041844	3	ChEMBL_658239 (CHEMBL1246631)	Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique
50041844	4	ChEMBL_658240 (CHEMBL1246632)	Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique
50041844	5	ChEMBL_658237 (CHEMBL1246629)	Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique
50041845	1	ChEMBL_659975 (CHEMBL1247376)	Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method
50018259	8	ChEMBL_2268104	Activation of SIRT6 (unknown origin) deacetylase activity using EALPKK-Myr-AMC substrate incubated for 2 hrs by FDL assay
50032290	19	ChEMBL_661588 (CHEMBL1251522)	Displacement of [3H]-oxytocin from human oxytocin receptor
50032290	20	ChEMBL_661591 (CHEMBL1251525)	Displacement of [3H]vasopressin from human vasopressin V2 receptor
50018259	9	ChEMBL_2268107	Inhibition of human SIRT6 using labeled peptide Acp53 (Ac-Arg-His-Lys-Lys (Ac)-AMC) substrate by fluorometric assay
50041847	1	ChEMBL_662950 (CHEMBL1252111)	Inhibition of methionine aminopeptidase 2
50041848	1	ChEMBL_662951 (CHEMBL1250810)	Antagonist activity at MCH1 receptor
50041849	1	ChEMBL_663467 (CHEMBL1251066)	Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cells
50041849	2	ChEMBL_663468 (CHEMBL1251067)	Displacement of [3H]prazosin from human adrenergic Alpha-1B expressed in CHO cells
50041849	3	ChEMBL_663469 (CHEMBL1251068)	Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells
50041849	4	ChEMBL_663470 (CHEMBL1251069)	Displacement of [3H]8-OH-DPAT from human adrenergic 5HT1A expressed in human HeLa cells cells
50041850	1	ChEMBL_664246 (CHEMBL1261753)	Transactivation activity at glucocorticoid receptor in human HeLa cells assessed as induction of MMTV promoter activity by luciferase reporter gene assay
50041850	2	ChEMBL_664241 (CHEMBL1261748)	Binding affinity to human recombinant mineralocorticoid receptor expressed in baculovirus infected Sf9 cells
50041850	3	ChEMBL_664242 (CHEMBL1261749)	Binding affinity to human recombinant androgen receptor expressed in baculovirus infected Sf9 cells
50041850	4	ChEMBL_664243 (CHEMBL1261750)	Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced IL-8 production
50041850	5	ChEMBL_664245 (CHEMBL1261752)	Transrepression activity at glucocorticoid receptor-mediated antiinflammatory activity in human HeLa cells assessed as inhibition of TPA-induced collagenase promoter activity by luciferase reporter gene assay
50041850	6	ChEMBL_664239 (CHEMBL1261746)	Binding affinity to human recombinant glucocorticoid receptor expressed in baculovirus infected Sf9 cells
50041850	7	ChEMBL_664240 (CHEMBL1261747)	Binding affinity to human recombinant progesterone receptor expressed in baculovirus infected Sf9 cells
50041852	1	ChEMBL_664468 (CHEMBL1259850)	Inhibition of rat mGluR1 expressed in HEK293 cells
50001621	6	ChEMBL_1729827 (CHEMBL4145105)	Binding affinity to human MDM2 (17 to 125 residues) by fluorescence polarization assay
50001622	1	ChEMBL_1729837 (CHEMBL4145115)	Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting
50001622	2	ChEMBL_1729836 (CHEMBL4145114)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50001622	3	ChEMBL_1729834 (CHEMBL4145112)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50001622	4	ChEMBL_1729835 (CHEMBL4145113)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50001622	5	ChEMBL_1729838 (CHEMBL4145116)	Displacement of [3H]-CGP12177 from human beta1 ADR expressed in HEK293T cell membranes after 90 mins by scintillation counting
50001622	6	ChEMBL_1729833 (CHEMBL4145111)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50041854	1	ChEMBL_664901 (CHEMBL1259733)	Antagonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	2	ChEMBL_664892 (CHEMBL1259724)	Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	3	ChEMBL_664895 (CHEMBL1259727)	Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	4	ChEMBL_664894 (CHEMBL1259726)	Agonist activity at glucocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	5	ChEMBL_664893 (CHEMBL1259725)	Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	6	ChEMBL_664902 (CHEMBL1259734)	Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	7	ChEMBL_664900 (CHEMBL1259732)	Antagonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay
50041854	8	ChEMBL_664899 (CHEMBL1259731)	Antagonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay
50041855	1	ChEMBL_664979 (CHEMBL1259936)	Antagonist activity at human NPY Y5 receptor
50018259	10	ChEMBL_2268108	Inhibition of GST-SIRT6 (unknown origin) assessed as deacetylation reaction using calf thymus histone as substrate by Western blot analysis
50018259	11	ChEMBL_2268109	Inhibition of GST-SIRT6 (unknown origin) assessed as deacetylation reaction demyristoylation assay
50018259	12	ChEMBL_2268115	Activation of human SIRT6 in human HepG2 cells assessed as decrease in H3K9 acetylation
50018259	13	ChEMBL_2268116	Activation of human SIRT6 in human HepG2 cells assessed as decrease in H3K56 acetylation
50018259	14	ChEMBL_2268117	Inhibition of SIRT2 (unknown origin)
50018259	15	ChEMBL_2268118	Inhibition of SIRT5 (unknown origin)
50018259	16	ChEMBL_2268119	Inhibition of SIRT7 (unknown origin)
50018259	17	ChEMBL_2268125	Competitive inhibition of SIRT6 (unknown origin) demyristoylation
50018259	18	ChEMBL_2268128	Inhibition of SIRT6 (unknown origin) deacylation using fluorogenic substrate AcEALPK(MyrK)-AMC by HPLC assay
50018259	19	ChEMBL_2268129	Inhibition of SIRT6 (unknown origin) deacylation using fluorogenic substrate AcEALPK(MyrK)-AMC by fluorogenic assay
50018259	20	ChEMBL_2268130	Inhibition of human SIRT6 demyristoylation reaction assessed as deacylation using H3K9 decanoyl peptide
50018259	21	ChEMBL_2268131	Inhibition of human SIRT6 demyristoylation reaction assessed as deacylation using H3K9 hexanoyl-peptide
50018259	22	ChEMBL_2268132	Inhibition of full length GST-tagged SIRT6 (unknown origin) assessed as de-octanoylation using acyl substrate
50018259	23	ChEMBL_2268133	Inhibition of full length GST-tagged SIRT6 (unknown origin) assessed as demyristoylation using acyl substrate
50018259	24	ChEMBL_2268134	Inhibition of SIRT6 deacetylation (unknown origin)
50018259	25	ChEMBL_2268135	Activation of SIRT6 (unknown origin) deacetylase activity assessed as demyristoylation
50018259	26	ChEMBL_2268137	Inhibition of SIRT1 deacetylation (unknown origin)
50018259	27	ChEMBL_2268138	Inhibition of SIRT2 deacetylation (unknown origin)
50018259	28	ChEMBL_2268139	Inhibition of GST-tagged SIRT6 (unknown origin) deacetylase activity using H3K9Ac peptide substrate by reversed-phase HPLC
50018259	29	ChEMBL_2268141	Inhibition of SIRT6 deacetylation (unknown origin) using H3K9Ac peptide as substrate
50018259	30	ChEMBL_2268142	Inhibition of SIRT6 deacetylation (unknown origin) using p53K382Ac peptide as substrate
50018260	1	ChEMBL_2268148	Inhibition of IL-2R alpha (unknown origin)
50018260	2	ChEMBL_2268149	Inhibition of IL-2 (unknown origin)
50018260	3	ChEMBL_2268150	Inhibition of human IL-18 expressed in Escherichia coli BL21(DE3) cells incubated for 18 hrs
50018260	4	ChEMBL_2268151	Inhibition of human TNF-alpha assessed as dissociation constant by ELISA assay
50018260	5	ChEMBL_2268152	Inhibition of human TNF-alpha assessed as dissociation constant incubated for 5 hrs by SPR analysis
50018260	6	ChEMBL_2268153	Inhibition of mouse TNF-alpha in mouse L929 cells incubated for 18 hrs by CellTitreGlo assay
50018260	7	ChEMBL_2268154	Inhibition of human IL1-R1 assessed as dissociation constant incubated for 5 mins by SPR analysis
50018260	8	ChEMBL_2268155	Inhibition of human IL-33 incubated for 1 hrs by AlphaLISA assay
50041856	4	ChEMBL_665021 (CHEMBL1260131)	Binding affinity to adrenergic alpha1A receptor in rat brain
50018260	9	ChEMBL_2268156	Inhibition of IL-36 gamma (unknown origin) assessed as dissociation constant by ITC assay
50041857	1	ChEMBL_665174 (CHEMBL1260593)	Positive modulation of GluR1
50041858	1	ChEMBL_665240 (CHEMBL1260659)	Inactivation of nAChR alpha4beta2 in human SH-EP1 cells
50041858	2	ChEMBL_665231 (CHEMBL1260650)	Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux
50032378	7	ChEMBL_665313 (CHEMBL1260990)	Inhibition of mTOR
50041859	1	ChEMBL_665339 (CHEMBL1261016)	Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system
50041859	2	ChEMBL_665340 (CHEMBL1261017)	Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells
50032389	6	ChEMBL_665566 (CHEMBL1261450)	Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay
50018260	10	ChEMBL_2268158	Inhibition of IL-4 (unknown origin) assessed as dissociation constant by SPR analysis
50018260	11	ChEMBL_2268159	Inhibition of IL-4 (unknown origin) in human THP-1 cells assessed as inhibition of STAT6 phosphorylation by HEK-Blue assay
50018262	1	ChEMBL_2268287	Inhibition of human recombinant HDAC1 using ZMAL (Z-(Ac)Lys-AMC) as fluorogenic substrate incubated for 120 mins by microplate reader assay
50041861	1	ChEMBL_675501 (CHEMBL1273714)	Inhibition of biotinylated vitronectin binding to human alphaVbeta3 integrin after 3 hrs by ELISA
50032474	6	ChEMBL_675685 (CHEMBL1274046)	Antagonist activity at human EP3 receptor expressed in human U2OS cells assessed as inhibition of PGE2-induced intracellular calcium mobilization by FLIPR assay
50032474	7	ChEMBL_675694 (CHEMBL1274055)	Displacement of [3H]dofetilide from human ERG
50032474	8	ChEMBL_675711 (CHEMBL1272345)	Inhibition of rat EP3 receptor
50032474	9	ChEMBL_675705 (CHEMBL1272339)	Displacement of radioligand from human EP1 receptor
50032474	10	ChEMBL_675707 (CHEMBL1272341)	Displacement of radioligand from human EP4 receptor
50032474	11	ChEMBL_675706 (CHEMBL1272340)	Displacement of radioligand from human EP2 receptor
50032474	12	ChEMBL_675709 (CHEMBL1272343)	Displacement of radioligand from human FP receptor
50032474	13	ChEMBL_675710 (CHEMBL1272344)	Displacement of radioligand from human TP receptor
50032485	7	ChEMBL_676045 (CHEMBL1273039)	Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay
50032485	8	ChEMBL_676046 (CHEMBL1273040)	Antagonist activity against human orexin 2 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assay
50041862	1	ChEMBL_676096 (CHEMBL1273090)	Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium accumulation assay
50041862	2	ChEMBL_676106 (CHEMBL1273100)	Antagonist activity at rat recombinant P2X7 receptor
50041864	1	ChEMBL_685540 (CHEMBL1285707)	Binding affinity to 5HT3A receptor
50041865	1	ChEMBL_685575 (CHEMBL1285353)	Antagonist activity at dopamine D2 receptor
50041866	1	ChEMBL_684821 (CHEMBL1286051)	Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cells
50041866	3	ChEMBL_684813 (CHEMBL1285950)	Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells
50001623	1	ChEMBL_1729858 (CHEMBL4145136)	Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect after 5 days by MTT assay
50001623	2	ChEMBL_1729848 (CHEMBL4145126)	Inhibition of DRV-resistant protease V32I/L33F/I54M/V82I mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase reporter gene assay
50001623	3	ChEMBL_1729863 (CHEMBL4145141)	Inhibition of DRV-resistant protease V32I/L33F/I54M/I84V mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase reporter gene assay
50001624	1	ChEMBL_1729877 (CHEMBL4145155)	Inhibition of FAAH (unknown origin)
50001624	2	ChEMBL_1729893 (CHEMBL4145171)	Agonist activity at N-terminal FLAG-tagged human CB2 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment after 8 to 14 hrs by bright-glo luminescence based assay
50001624	3	ChEMBL_1729892 (CHEMBL4145170)	Agonist activity at N-terminal FLAG-tagged human CB1 receptor transfected in human HTLA cells assessed as induction of beta-arrestin-recruitment after 8 to 14 hrs by bright-glo luminescence based assay
50001625	1	ChEMBL_1729903 (CHEMBL4145181)	Inhibition of JAK2 (unknown origin)
50001625	2	ChEMBL_1729905 (CHEMBL4145183)	Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as substrate after 10 mins by caliper assay
50001625	3	ChEMBL_1729906 (CHEMBL4145184)	Inhibition of recombinant human JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by caliper assay
50001625	4	ChEMBL_1729910 (CHEMBL4145188)	Inhibition of JAK1 in human NCI-H1975 cells assessed as reduction in STAT3 phosphorylation after 1 hr by ELISA
50001625	5	ChEMBL_1729907 (CHEMBL4145185)	Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by caliper assay
50032534	6	ChEMBL_685210 (CHEMBL1287098)	Displacement of [3H]dofetilide from human ERG by scintillation proximity assay
50032534	7	ChEMBL_685211 (CHEMBL1287099)	Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting
50032534	8	ChEMBL_685205 (CHEMBL1287093)	Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay
50041867	1	ChEMBL_687845 (CHEMBL1291409)	Inhibition of Bcl-XL
50041868	1	ChEMBL_688029 (CHEMBL1291753)	Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes
50041869	1	ChEMBL_686320 (CHEMBL1293076)	Antagonistic activity at human alpha1A receptor expressed in rat 1 fibroblast cells assessed as inhibition of calcium level by FLIPR assay
50041869	2	ChEMBL_686321 (CHEMBL1293077)	Displacement of [3H]-dofetilide in human ERG expressed in CHO cells
50041869	3	ChEMBL_686319 (CHEMBL1293075)	Antagonistic activity at human NPY Y5 receptor expressed in HEK293 cells assessed as inhibition of calcium level by FLIPR assay
50041870	1	ChEMBL_686385 (CHEMBL1293141)	Antagonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay
50041870	2	ChEMBL_686391 (CHEMBL1293147)	Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay
50041870	3	ChEMBL_686392 (CHEMBL1293148)	Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay
50041870	4	ChEMBL_686388 (CHEMBL1293144)	Agonist activity at human 5-HT1A receptor expressed in HEK293 cells assessed as stimulation of GTPgammaS binding by scintillation proximity assay
50041870	5	ChEMBL_686386 (CHEMBL1293142)	Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay
50041870	6	ChEMBL_686389 (CHEMBL1293145)	Agonist activity at human 5-HT1B receptor expressed in CHO cells assessed as stimulation of GTPgammaS binding by scintillation proximity assay
50041870	7	ChEMBL_686387 (CHEMBL1293143)	Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay
50041870	8	ChEMBL_686390 (CHEMBL1293146)	Agonist activity at human 5-HT1D receptor expressed in CHO cells assessed as stimulation of GTPgammaS binding by scintillation proximity assay
50041871	1	ChEMBL_687865 (CHEMBL1291429)	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
50041871	2	ChEMBL_687866 (CHEMBL1291430)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
50041871	3	ChEMBL_687867 (CHEMBL1291431)	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
50041871	4	ChEMBL_687868 (CHEMBL1291432)	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
50041871	5	ChEMBL_687869 (CHEMBL1291433)	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay
50032615	6	ChEMBL_687364 (CHEMBL1292040)	Antagonist activity at human recombinant GPR154 receptor expressed in HEK293 cells assessed as inhibition of neuropeptide S-induced increase of intracellular calcium level by FLIPR assay
50041872	1	ChEMBL_687956 (CHEMBL1291628)	Antagonist activity at human NPY Y2 receptor in KAN-TS cells by [35]GTPgammaS assay
50041872	2	ChEMBL_687957 (CHEMBL1291629)	Antagonist activity at rat NPY Y2 receptor expressed in HEK cells by [35]GTPgammaS assay
50041872	3	ChEMBL_687974 (CHEMBL1291646)	Antagonist activity at human NPY Y1 receptor expressed in CHO cells by GTPgammaS35 binding assay
50041872	4	ChEMBL_687975 (CHEMBL1291647)	Antagonist activity at human NPY Y5 receptor expressed in HEK cells by FLIPR/Ca2+ assay
50041873	1	ChEMBL_685890 (CHEMBL1292646)	Antagonist activity at human recombinant CRF1 receptor
50041875	1	ChEMBL_695918 (CHEMBL1641105)	Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR
50041875	2	ChEMBL_695917 (CHEMBL1641104)	Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcriptional activation after 16 hrs by luciferase reporter gene assay
50041876	1	ChEMBL_696864 (CHEMBL1639221)	Inhibition of electric eel AChE preincubated for 5 mins by Ellman's method
50041876	2	ChEMBL_696866 (CHEMBL1639223)	Inhibition of horse serum BChE preincubated for 5 mins by Ellman's method
50018262	2	ChEMBL_2268288	Inhibition of human recombinant HDAC6 using ZMAL (Z-(Ac)Lys-AMC) as fluorogenic substrate incubated for 120 mins by microplate reader assay
50041877	4	ChEMBL_693739 (CHEMBL1638258)	Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cells
50041877	5	ChEMBL_693738 (CHEMBL1638257)	Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cells
50041877	6	ChEMBL_693737 (CHEMBL1638256)	Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cells
50032671	9	ChEMBL_689721 (CHEMBL1635449)	Displacement of [3H]dofetilide from human ERG by SPA
50032676	4	ChEMBL_690190 (CHEMBL1634320)	Antagonist activity at NOR in mouse Neuro-2a cells assessed as inhibition of nociceptin-induced ERK phosphorylation administered for 15 mins before nociceptin challenge by competitive inhibition assay
50032682	1	ChEMBL_692837 (CHEMBL1637351)	Inhibition of human CYP1A2
50032682	3	ChEMBL_692839 (CHEMBL1637353)	Inhibition of human CYP2C8 using amodiaquine as a substrate
50032682	4	ChEMBL_692840 (CHEMBL1637354)	Inhibition of human CYP2C8 using rosiglitazone as a substrate
50032682	5	ChEMBL_692841 (CHEMBL1637355)	Inhibition of human CYP2C9
50032682	6	ChEMBL_692842 (CHEMBL1637356)	Inhibition of human CYP2C19
50032682	7	ChEMBL_692843 (CHEMBL1637357)	Inhibition of human CYP2D6
50032682	2	ChEMBL_692838 (CHEMBL1637352)	Inhibition of human CYP2B6
50032683	2	ChEMBL_690937 (CHEMBL1634545)	Inhibition of Saccharomyces cerevisiae inositol phosphorylceramide synthase
50032683	3	ChEMBL_690938 (CHEMBL1634546)	Inhibition of Aspergillus fumigatus inositol phosphorylceramide synthase
50032683	8	ChEMBL_690933 (CHEMBL1634541)	Inhibition of aureobasidin A-resistant Saccharomyces cerevisiae inositol phosphorylceramide synthase preincubated for 30 mins
50041878	1	ChEMBL_699692 (CHEMBL1648335)	Modulatory activity at GluA2 receptor LBD
50041879	1	ChEMBL_699952 (CHEMBL1646359)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA
50001625	6	ChEMBL_1729902 (CHEMBL4145180)	Inhibition of JAK1 (unknown origin)
50041879	3	ChEMBL_699954 (CHEMBL1646361)	Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA
50001625	7	ChEMBL_1729913 (CHEMBL4145191)	Inhibition of recombinant human N-terminal GST-tagged TYK2 (871 to 1187 residues) expressed in baculovirus expression system using 5FAM-GEEPLYWSFPAKKK-NH2 as substrate after 10 mins by caliper assay
50041880	1	ChEMBL_698229 (CHEMBL1646699)	Binding affinity to human recombinant GR by competition ligand binding fluorescence polarization assay
50041880	2	ChEMBL_698230 (CHEMBL1646700)	Binding affinity to human recombinant PR by competition ligand binding fluorescence polarization assay
50041880	3	ChEMBL_698234 (CHEMBL1646704)	Antagonist activity at human GR DNA binding domain transfected in CHO cells co-transfected with MMTV-luciferase gene assessed as inhibition of cortisol-induced luciferase activity
50041880	4	ChEMBL_698235 (CHEMBL1646705)	Antagonist activity at human MR ligand binding domain transfected in CHO cells co-transfected with MMTV-luciferase gene assessed as inhibition of cortisol-induced luciferase activity
50001625	8	ChEMBL_1729904 (CHEMBL4145182)	Inhibition of JAK3 (unknown origin)
50032761	5	ChEMBL_699418 (CHEMBL1647445)	Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay
50032761	6	ChEMBL_699424 (CHEMBL1647451)	Inhibition of GAT2
50032761	7	ChEMBL_699425 (CHEMBL1647452)	Inhibition of GAT3
50032761	8	ChEMBL_699423 (CHEMBL1647450)	Inhibition of BGT1
50041881	1	ChEMBL_700343 (CHEMBL1647669)	Displacement of [3H]dofetilide from human ERG
50041881	2	ChEMBL_700338 (CHEMBL1647664)	Inhibition of ROCK-1 by Immobilized metal ion affinity-based fluorescence polarization assay
50041881	3	ChEMBL_700340 (CHEMBL1647666)	Inhibition of ROCK-1
50041881	4	ChEMBL_700341 (CHEMBL1647667)	Inhibition of ROCK-2 by Immobilized metal ion affinity-based fluorescence polarization assay
50041881	5	ChEMBL_700342 (CHEMBL1647668)	Inhibition of MCP1-mediated human THP cell migration
50041882	1	ChEMBL_700574 (CHEMBL1648393)	Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining
50041882	2	ChEMBL_700575 (CHEMBL1648394)	Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining
50041882	3	ChEMBL_700576 (CHEMBL1648395)	Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by Fluo4-AM staining
50041883	1	ChEMBL_701282 (CHEMBL1648902)	Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scintillation proximity assay
50041884	1	ChEMBL_701308 (CHEMBL1648928)	Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins
50032820	32	ChEMBL_701647 (CHEMBL1656539)	Inhibition of ROCK2 by Caliper mobility shift assay
50032820	9	ChEMBL_701612 (CHEMBL1656371)	Inhibition of ALK by TR-FRET based LanthaScreen assay
50032820	24	ChEMBL_701638 (CHEMBL1656530)	Inhibition of INSR by TR-FRET based LanthaScreen assay
50032839	2	ChEMBL_708476 (CHEMBL1666142)	Displacement of [125I]SDF-1alpha form CXCR4 expressed in CHO cells by scintillation counting
50041885	1	ChEMBL_715113 (CHEMBL1664219)	Inhibition of human acetylcholinesterase
50001626	1	ChEMBL_1729933 (CHEMBL4145211)	Binding affinity to PARP1 in human OVCAR8 cells assessed as reduction in [125I]-KX1 binding by gamma counting analysis
50001626	2	ChEMBL_1729946 (CHEMBL4145224)	Inhibition of human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected sf9 cells using histone as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50001626	3	ChEMBL_1729947 (CHEMBL4145225)	Inhibition of human N-terminal GST-tagged TNKS2 (667 to 1166 residues) expressed in baculovirus infected sf9 cells using histone as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50032870	16	ChEMBL_717476 (CHEMBL1670681)	Antagonist activity at angiotensin AT1 receptor in guinea pig ileum
50032870	17	ChEMBL_717463 (CHEMBL1670668)	Antagonist activity at angiotensin AT1 receptor in rabbit thoracic aortic rings
50041887	1	ChEMBL_718092 (CHEMBL1671545)	Agonist activity at human mGluR2 expressed in CHO cells at by [S35]GTPgammaS binding assay
50041887	2	ChEMBL_718095 (CHEMBL1671548)	Agonist activity at human mGluR2 expressed in HEK293 cells assessed as induction of calcium release by FLIPR assay
50041888	1	ChEMBL_716635 (CHEMBL1670414)	Inhibition of ROCK2 by IMAP assay
50041888	2	ChEMBL_716636 (CHEMBL1670415)	Inhibition of ROCK1 in human THP cells assessed as inhibition of MCP1-induced cell migration
50041888	3	ChEMBL_716675 (CHEMBL1670500)	Inhibition of ROCK1 by RFBA assay
50041888	4	ChEMBL_716673 (CHEMBL1670498)	Inhibition of human PrkX by RFBA assay
50041888	5	ChEMBL_716672 (CHEMBL1670497)	Inhibition of human PKCmu by RFBA assay
50041888	6	ChEMBL_716670 (CHEMBL1670495)	Inhibition of human PKCdelta by RFBA assay
50041888	7	ChEMBL_716671 (CHEMBL1670496)	Inhibition of human PKCeta by RFBA assay
50041888	8	ChEMBL_716634 (CHEMBL1670413)	Inhibition of ROCK1 by IMAP assay
50041888	9	ChEMBL_716659 (CHEMBL1670484)	Displacement of [3H]-dofetilide from human ERG
50041888	10	ChEMBL_716633 (CHEMBL1670412)	Binding affinity to ROCK1
50032897	5	ChEMBL_716714 (CHEMBL1670539)	Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR luciferase assay
50018262	3	ChEMBL_2268290	Inhibition of human recombinant HDAC8 using FLUOR DE LYS fluorometric substrate pre-incubated for 15 mins and followed by substrate addition and measured after 60 mins by microplate reader assay
50018264	1	ChEMBL_2268355	Agonist activity at RXRalpha (unknown origin)
50041890	1	ChEMBL_716758 (CHEMBL1670640)	Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity
50041890	2	ChEMBL_716755 (CHEMBL1670637)	Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor
50041890	3	ChEMBL_716756 (CHEMBL1670638)	Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay
50041891	1	ChEMBL_716899 (CHEMBL1670878)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after 2 hrs
50041893	1	ChEMBL_725152 (CHEMBL1676103)	Inhibition of human ERG
50041894	1	ChEMBL_719162 (CHEMBL1679621)	Inhibition of human recombinant cathepsin C after 1 hr
50041894	2	ChEMBL_719163 (CHEMBL1679622)	Inhibition of human recombinant cathepsin K after 1 hr
50041894	3	ChEMBL_719164 (CHEMBL1679623)	Inhibition of human recombinant cathepsin B after 1 hr
50041894	4	ChEMBL_719166 (CHEMBL1679625)	Inhibition of human recombinant cathepsin S after 1 hr
50041894	5	ChEMBL_719165 (CHEMBL1679624)	Inhibition of human recombinant cathepsin L after 1 hr
50041896	1	ChEMBL_728033 (CHEMBL1686904)	Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay
50041896	2	ChEMBL_728037 (CHEMBL1686908)	Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells
50041896	3	ChEMBL_728038 (CHEMBL1686909)	Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in insect Sf9 cells
50041896	4	ChEMBL_728053 (CHEMBL1686924)	Displacement of [35S]MK499 from human ERG channel in HEK293 cells
50041897	1	ChEMBL_728300 (CHEMBL1687457)	Displacement of [125I]neurokinin A from human NK2 receptor after 30 mins
50041898	1	ChEMBL_730288 (CHEMBL1696528)	Inhibition of PHD2
50041899	1	ChEMBL_735955 (CHEMBL1692251)	Binding affinity to human cloned Alpha-2C adrenergic receptor
50033107	2	ChEMBL_735124 (CHEMBL1694080)	Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity
50041900	1	ChEMBL_735234 (CHEMBL1694496)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50041900	2	ChEMBL_735233 (CHEMBL1694495)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50041900	3	ChEMBL_735239 (CHEMBL1694501)	Agonistic activity at histamine H4 receptor
50041900	4	ChEMBL_735236 (CHEMBL1694498)	Agonist activity at human histamine H4 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferase reporter gene assay
50041900	5	ChEMBL_735237 (CHEMBL1694499)	Agonist activity at human histamine H3 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferase reporter gene assay
50041900	6	ChEMBL_735240 (CHEMBL1694502)	Inverse agonist activity at human histamine H4 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferase reporter gene assay
50041900	7	ChEMBL_735241 (CHEMBL1694503)	Inverse agonist activity at human histamine H3 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation by luciferase reporter gene assay
50041901	1	ChEMBL_738449 (CHEMBL1743526)	Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	2	ChEMBL_738451 (CHEMBL1743528)	Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	4	ChEMBL_738454 (CHEMBL1743531)	Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-methoxyresorufin O-demethylation (MROD)
50041901	5	ChEMBL_738455 (CHEMBL1743532)	Mechanism based inhibition of human cytochrome P450 1A2 measured by formation of 6-hydroxywarfarin
50041901	6	ChEMBL_738456 (CHEMBL1743533)	Mechanism based inhibition of human cytochrome P450 1A2 measured by phenacetin O-deethylation (POD) 
50041901	7	ChEMBL_738334 (CHEMBL1743411)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation
50041901	8	ChEMBL_738335 (CHEMBL1743412)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation
50041901	9	ChEMBL_738336 (CHEMBL1743413)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation
50041901	11	ChEMBL_738338 (CHEMBL1743415)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation using recombinant CYP2D6
50041901	12	ChEMBL_738342 (CHEMBL1743419)	Mechanism based inhibition of human cytochrome P450 2E1
50041901	13	ChEMBL_738342 (CHEMBL1743419)	Mechanism based inhibition of human cytochrome P450 2E1
50001628	1	ChEMBL_1729988 (CHEMBL4145266)	Antagonist activity at 5-HT2B (unknown origin)
50001628	2	ChEMBL_1729995 (CHEMBL4145273)	Inhibition of CYP2C19 (unknown origin)
50001628	3	ChEMBL_1729993 (CHEMBL4145271)	Inhibition of CYP2C8 (unknown origin)
50001628	4	ChEMBL_1729991 (CHEMBL4145269)	Inhibition of human ERG
50001628	5	ChEMBL_1729956 (CHEMBL4145234)	Inhibition of CYP1A2 (unknown origin)
50041901	20	ChEMBL_738469 (CHEMBL1743370)	Mechanism based inhibition of human cytochrome P450 2B6
50041901	21	ChEMBL_738470 (CHEMBL1743371)	Mechanism based inhibition of human cytochrome P450 2B6
50041901	22	ChEMBL_738471 (CHEMBL1743372)	Mechanism based inhibition of human cytochrome P450 2B6
50001628	6	ChEMBL_1729994 (CHEMBL4145272)	Inhibition of CYP2C9 (unknown origin)
50041901	24	ChEMBL_738474 (CHEMBL1743375)	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation
50001628	7	ChEMBL_1729996 (CHEMBL4145274)	Inhibition of CYP2D6 (unknown origin)
50041901	26	ChEMBL_738477 (CHEMBL1743378)	Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylation
50041901	27	ChEMBL_738478 (CHEMBL1743379)	Mechanism based inhibition of human cytochrome P450 2B6 measured by N-(3,5-dichloro-4-pyridyl)-3- (cyclopentoxy)-4- methoxybenzamide (DCMB) hydroxylase activity
50041901	28	ChEMBL_738479 (CHEMBL1743380)	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomes
50001628	8	ChEMBL_1729997 (CHEMBL4145275)	Inhibition of CYP3A4 (unknown origin)
50041901	31	ChEMBL_738482 (CHEMBL1743383)	Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using a recombinant system
50041901	32	ChEMBL_738483 (CHEMBL1743384)	Mechanism based inhibition of human cytochrome P450 2B6 using human liver microsomes
50001629	1	ChEMBL_1730042 (CHEMBL4145320)	Antagonist activity at human MOR expressed in CHO cell membranes assessed as inhibition of CYM51010-induced [35S]-GTPgammaS binding preincubated for 5 mins followed by CYM51010 and [35S]-GTPgammaS addition measured after 80 mins
50041901	34	ChEMBL_738487 (CHEMBL1743388)	Mechanism based inhibition of human cytochrome P450 2C19 measured by 5-hydroxylation of 2-aroylthiophenes
50041901	35	ChEMBL_738489 (CHEMBL1743390)	Mechanism based inhibition of human cytochrome P450 2C19 evaluated using Tolbutamide
50041901	36	ChEMBL_738490 (CHEMBL1743391)	Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using human liver microsomes
50041901	37	ChEMBL_738491 (CHEMBL1743392)	Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using human liver microsomes
50001629	2	ChEMBL_1730034 (CHEMBL4145312)	Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes after 80 mins by scintillation counting analysis
50001629	3	ChEMBL_1730033 (CHEMBL4145311)	Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes after 80 mins by scintillation counting analysis
50001629	4	ChEMBL_1730041 (CHEMBL4145319)	Antagonist activity at human DOR expressed in CHO cell membranes assessed as inhibition of CYM51010-induced [35S]-GTPgammaS binding preincubated for 5 mins followed by CYM51010 and [35S]-GTPgammaS addition measured after 80 mins
50041901	39	ChEMBL_738491 (CHEMBL1743392)	Mechanism based inhibition of human cytochrome P450 2C8 measured by paclitaxel hydroxylation using human liver microsomes
50041901	40	ChEMBL_738494 (CHEMBL1743395)	Mechanism based inhibition of human cytochrome P450 2C9
50041901	41	ChEMBL_738322 (CHEMBL1743408)	Mechanism based inhibition of human cytochrome P450 2C9 measured by 7-EFC O-deethylation
50041901	43	ChEMBL_738350 (CHEMBL1743427)	Mechanism based inhibition of human cytochrome P450 3A4
50041901	44	ChEMBL_738353 (CHEMBL1743430)	Mechanism based inhibition of human cytochrome P450 3A4
50041901	45	ChEMBL_738355 (CHEMBL1743432)	Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycin
50041901	46	ChEMBL_738356 (CHEMBL1743433)	Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycin
50041901	48	ChEMBL_738359 (CHEMBL1743436)	Mechanism based inhibition of human cytochrome P450 3A4 measured by DBF fluorescence
50041901	49	ChEMBL_738360 (CHEMBL1743437)	Mechanism based inhibition of human cytochrome P450 3A4 measured by N-demethylation of erythromycin
50041901	51	ChEMBL_738365 (CHEMBL1743442)	Mechanism based inhibition of human cytochrome P450 3A4 measured by midazolam hydroxylase activity
50041901	52	ChEMBL_738368 (CHEMBL1743445)	Mechanism based inhibition of human cytochrome P450 3A4 measured by nifedipine oxidation, omeprazole 3-hydroxylation and omeprazole sulfoxydation
50041901	53	ChEMBL_738373 (CHEMBL1743450)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	54	ChEMBL_738375 (CHEMBL1743452)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	55	ChEMBL_738376 (CHEMBL1743453)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	56	ChEMBL_738377 (CHEMBL1743454)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	57	ChEMBL_738379 (CHEMBL1743456)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	58	ChEMBL_738380 (CHEMBL1743457)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	60	ChEMBL_738328 (CHEMBL1743403)	Mechanism based inhibition of human cytochrome P450 2D6 measured by bufurarol 1'-hydroxylation
50041901	61	ChEMBL_738330 (CHEMBL1743405)	Mechanism based inhibition of human cytochrome P450 2D6 measured by bufurarol hydroxylation using liver microsomes
50041901	62	ChEMBL_738332 (CHEMBL1743407)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation
50041901	63	ChEMBL_738338 (CHEMBL1743415)	Mechanism based inhibition of human cytochrome P450 2D6 measured by dextromethorphan O-demethylation using recombinant CYP2D6
50041901	64	ChEMBL_738383 (CHEMBL1743460)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	65	ChEMBL_738384 (CHEMBL1743461)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	66	ChEMBL_738385 (CHEMBL1743462)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	67	ChEMBL_738443 (CHEMBL1743520)	Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	68	ChEMBL_738444 (CHEMBL1743521)	Mechanism based inhibition of human cytochrome P450 1A1 measured by 7-ethoxyresorufin O-deethylation (EROD)
50041901	69	ChEMBL_738388 (CHEMBL1743465)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation
50041901	71	ChEMBL_738390 (CHEMBL1743467)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation and erythromycin N-demethylation
50041901	72	ChEMBL_738392 (CHEMBL1743469)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using human liver microsomes
50041901	77	ChEMBL_738392 (CHEMBL1743469)	Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylation using human liver microsomes
50041901	78	ChEMBL_738405 (CHEMBL1743482)	Mechanism based inhibition of human cytochrome P450 3A5
50041901	79	ChEMBL_738406 (CHEMBL1743483)	Mechanism based inhibition of human cytochrome P450 3A5
50041901	81	ChEMBL_738408 (CHEMBL1743485)	Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylation
50041901	82	ChEMBL_738410 (CHEMBL1743487)	Mechanism based inhibition of rabbit cytochrome P450 2B4
50041901	83	ChEMBL_738411 (CHEMBL1743488)	Mechanism based inhibition of rabbit cytochrome P450 3A6 measured by testosterone and progesterone 6-beta hydroxylation
50041901	84	ChEMBL_738412 (CHEMBL1743489)	Mechanism based inhibition of rat cytochrome P450 2B1
50041901	85	ChEMBL_738413 (CHEMBL1743490)	Mechanism based inhibition of rat cytochrome P450 2B1
50041901	86	ChEMBL_738415 (CHEMBL1743492)	Mechanism based inhibition of rat cytochrome P450 2B1
50041901	87	ChEMBL_738415 (CHEMBL1743492)	Mechanism based inhibition of rat cytochrome P450 2B1
50041901	88	ChEMBL_738455 (CHEMBL1743532)	Mechanism based inhibition of human cytochrome P450 1A2 measured by formation of 6-hydroxywarfarin
50001629	5	ChEMBL_1730045 (CHEMBL4145323)	Antagonist activity at human KOR expressed in CHO cell membranes assessed as inhibition of U50488-induced [35S]-GTPgammaS binding preincubated for 5 mins followed by U50488 and [35S]-GTPgammaS addition measured after 80 mins
50041902	1	ChEMBL_739780 (CHEMBL1763606)	Inhibition of MAO-A receptor
50033133	10	ChEMBL_739892 (CHEMBL1762952)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells
50001630	1	ChEMBL_1730065 (CHEMBL4145343)	Binding affinity to DNA-tagged human GAK expressed in Escherichia coli BL21 using immobilised ligand incubated for 1 hr by quantitative PCR
50001630	2	ChEMBL_1730082 (CHEMBL4145360)	Inhibition of wild-type human partial length KIT (I571 to D952 residues) expressed in bacterial expression system by ATP-site competition binding assay based KinomeScan assay relative to control
50001631	1	ChEMBL_1730085 (CHEMBL4145363)	Binding affinity to drosophila NCS1 expressed in Escherichia coli BL21 (DE3) by fluorescence emission assay
50001631	2	ChEMBL_1730087 (CHEMBL4145365)	Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay
50001632	1	ChEMBL_1730110 (CHEMBL4145388)	Inhibition of recombinant human CYP3A4 in presence of NADPH generating system by fluorescence assay
50001633	1	ChEMBL_1730132 (CHEMBL4145410)	Inhibition of kallikrein 7 (unknown origin) by fluorescence assay
50001633	2	ChEMBL_1730148 (CHEMBL4145426)	Antagonist activity at human TACR2 expressed in CHOK1 cells assessed as substance P-induced beta-arrestin recruitment pre-incubated for 30 mins before substance P stimulation for 90 or 180 mins by chemiluminescence method
50001633	3	ChEMBL_1730146 (CHEMBL4145424)	Antagonist activity at human CCR10 expressed in human U2OS cells assessed as inhibition of CCL27-induced beta-arrestin recruitment pre-incubated for 30 mins before CCL27 stimulation for 90 or 180 mins by chemiluminescence method
50001633	4	ChEMBL_1730145 (CHEMBL4145423)	Agonist activity at human CXCR7 expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment by chemiluminescence method
50001633	5	ChEMBL_1730149 (CHEMBL4145427)	Antagonist activity at human SSTR3 expressed in HEK293 cells assessed as [Tyr1]-somatostatin 14-induced beta-arrestin recruitment pre-incubated for 30 mins before [Tyr1]-somatostatin 14 stimulation for 90 or 180 mins by chemiluminescence method
50001633	6	ChEMBL_1730133 (CHEMBL4145411)	Inhibition of chymase (unknown origin) by fluorescence assay
50001633	7	ChEMBL_1730147 (CHEMBL4145425)	Antagonist activity at human OXTR expressed in CHOK1 cells assessed as oxytocin-induced beta-arrestin recruitment pre-incubated for 30 mins before oxytocin stimulation for 90 or 180 mins by chemiluminescence method
50001633	8	ChEMBL_1730134 (CHEMBL4145412)	Inhibition of human caspase 14 using Ac-WEHD-AMC fluorogenic peptide as substrate by fluorescence assay
50001634	1	ChEMBL_1730172 (CHEMBL4145708)	Inhibition of recombinant human N-terminal GST/His6-fused ALK C1156Y mutant expressed in Sf9 insect cells using Tyr 1 peptide as substrate after 1 hr by Z-LYTE assay
50001634	2	ChEMBL_1730171 (CHEMBL4145707)	Inhibition of recombinant human N-terminal GST/His6-fused ALK F1174L mutant expressed in Sf9 insect cells using Tyr 1 peptide as substrate after 1 hr by Z-LYTE assay
50001634	3	ChEMBL_1730170 (CHEMBL4145706)	Inhibition of recombinant human N-terminal GST/His6-fused ALK L1196M mutant expressed in Sf9 insect cells using Tyr 1 peptide as substrate after 1 hr by Z-LYTE assay
50001634	4	ChEMBL_1730169 (CHEMBL4145705)	Inhibition of recombinant human N-terminal GST/His6-fused ALK R1275Q mutant expressed in Sf9 insect cells using Tyr 1 peptide as substrate after 1 hr by Z-LYTE assay
50001634	5	ChEMBL_1730168 (CHEMBL4145704)	Inhibition of recombinant human wild-type GST-tagged ALK expressed in Baculovirus expression system using Tyr 1 peptide as substrate after 1 hr by Z-LYTE assay
50001634	6	ChEMBL_1730167 (CHEMBL4145703)	Inhibition of recombinant human GST-tagged EGFR L858R/T790M mutant expressed in Baculovirus expression system using Tyr 4 peptide as substrate after 1 hr in presence of ATP by Z-LYTE assay
50001634	7	ChEMBL_1730166 (CHEMBL4145702)	Inhibition of recombinant human GST-tagged EGFR T790M mutant expressed in Baculovirus expression system using Tyr 4 peptide as substrate after 1 hr in presence of ATP by Z-LYTE assay
50001634	8	ChEMBL_1730165 (CHEMBL4145701)	Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in Baculovirus expression system using Tyr 4 peptide as substrate after 1 hr in presence of ATP by Z-LYTE assay
50001634	9	ChEMBL_1730164 (CHEMBL4145700)	Inhibition of recombinant human wild-type His-tagged EGFR expressed in mammalian expression system using Tyr 4 peptide as substrate after 1 hr in presence of ATP by Z-LYTE kinase assay
50001635	1	ChEMBL_1730367 (CHEMBL4145903)	Inhibition of LCK (unknown origin) after 120 mins in presence of 33P-ATP
50001635	2	ChEMBL_1730346 (CHEMBL4145882)	Inhibition of LYN (unknown origin)
50001635	3	ChEMBL_1730314 (CHEMBL4145850)	Inhibition of ABL1 (unknown origin)
50001635	4	ChEMBL_1730315 (CHEMBL4145851)	Inhibition of AKT1 (unknown origin)
50001635	5	ChEMBL_1730316 (CHEMBL4145852)	Inhibition of Aurora A (unknown origin)
50001635	6	ChEMBL_1730317 (CHEMBL4145853)	Inhibition of BRAF (unknown origin)
50001635	7	ChEMBL_1730318 (CHEMBL4145854)	Inhibition of BTK (unknown origin)
50001635	8	ChEMBL_1730319 (CHEMBL4145855)	Inhibition of cMET (unknown origin)
50001635	9	ChEMBL_1730320 (CHEMBL4145856)	Inhibition of CAMK2b (unknown origin)
50001635	10	ChEMBL_1730321 (CHEMBL4145857)	Inhibition of CDK1/cyclin B (unknown origin)
50001635	11	ChEMBL_1730322 (CHEMBL4145858)	Inhibition of CDK1/cyclin E (unknown origin)
50001635	12	ChEMBL_1730323 (CHEMBL4145859)	Inhibition of CDK2/cyclin A (unknown origin)
50001635	13	ChEMBL_1730324 (CHEMBL4145860)	Inhibition of CHK1 (unknown origin)
50001635	14	ChEMBL_1730325 (CHEMBL4145861)	Inhibition of CHK2 (unknown origin)
50001635	15	ChEMBL_1730326 (CHEMBL4145862)	Inhibition of DAPK1 (unknown origin)
50001635	16	ChEMBL_1730327 (CHEMBL4145863)	Inhibition of EPHA3 (unknown origin)
50001635	17	ChEMBL_1730328 (CHEMBL4145864)	Inhibition of EPHB4 (unknown origin)
50001635	18	ChEMBL_1730329 (CHEMBL4145865)	Inhibition of ERK1 (unknown origin)
50001635	19	ChEMBL_1730330 (CHEMBL4145866)	Inhibition of MAPK1 (unknown origin)
50001635	20	ChEMBL_1730331 (CHEMBL4145867)	Inhibition of MAPK7 (unknown origin)
50001635	21	ChEMBL_1730332 (CHEMBL4145868)	Inhibition of MAPK7 catalytic domain (unknown origin)
50001635	22	ChEMBL_1730334 (CHEMBL4145870)	Inhibition of FGFR3 (unknown origin)
50001635	23	ChEMBL_1730335 (CHEMBL4145871)	Inhibition of VEGFR1 (unknown origin)
50001635	24	ChEMBL_1730336 (CHEMBL4145872)	Inhibition of FLT3 (unknown origin)
50001635	25	ChEMBL_1730337 (CHEMBL4145873)	Inhibition of VEGFR3 (unknown origin)
50001635	26	ChEMBL_1730338 (CHEMBL4145874)	Inhibition of GSK3beta (unknown origin)
50001635	27	ChEMBL_1730339 (CHEMBL4145875)	Inhibition of HIPK1 (unknown origin)
50001635	28	ChEMBL_1730340 (CHEMBL4145876)	Inhibition of IR (unknown origin)
50001635	29	ChEMBL_1730341 (CHEMBL4145877)	Inhibition of IRAK4 (unknown origin)
50001635	30	ChEMBL_1730342 (CHEMBL4145878)	Inhibition of JAK3 (unknown origin)
50001635	31	ChEMBL_1730343 (CHEMBL4145879)	Inhibition of VEGFR2 (unknown origin)
50001635	32	ChEMBL_1730344 (CHEMBL4145880)	Inhibition of LCK (unknown origin)
50001635	33	ChEMBL_1730345 (CHEMBL4145881)	Inhibition of ICK (unknown origin)
50001635	34	ChEMBL_1730347 (CHEMBL4145883)	Inhibition of MINK1 (unknown origin)
50001635	35	ChEMBL_1730348 (CHEMBL4145884)	Inhibition of MNK2 (unknown origin)
50001635	36	ChEMBL_1730349 (CHEMBL4145885)	Inhibition of STK3 (unknown origin)
50001635	37	ChEMBL_1730350 (CHEMBL4145886)	Inhibition of MAPK14 (unknown origin)
50001635	38	ChEMBL_1730351 (CHEMBL4145887)	Inhibition of PAK1 (unknown origin)
50001635	39	ChEMBL_1730352 (CHEMBL4145888)	Inhibition of PAK2 (unknown origin)
50001635	40	ChEMBL_1730353 (CHEMBL4145889)	Inhibition of PDGFRalpha (unknown origin)
50001635	41	ChEMBL_1730355 (CHEMBL4145891)	Inhibition of PIM1 (unknown origin)
50001635	42	ChEMBL_1730371 (CHEMBL4145907)	Inhibition of FMS (unknown origin) after 120 mins in presence of 33P-ATP
50001635	43	ChEMBL_1730357 (CHEMBL4145893)	Inhibition of PKCalpha (unknown origin)
50001635	44	ChEMBL_1730358 (CHEMBL4145894)	Inhibition of PLK2 (unknown origin)
50001635	45	ChEMBL_1730359 (CHEMBL4145895)	Inhibition of RET (unknown origin)
50001635	46	ChEMBL_1730360 (CHEMBL4145896)	Inhibition of ROCK1 (unknown origin)
50001635	47	ChEMBL_1730361 (CHEMBL4145897)	Inhibition of RSK1 (unknown origin)
50001635	48	ChEMBL_1730362 (CHEMBL4145898)	Inhibition of SYK (unknown origin)
50001635	49	ChEMBL_1730363 (CHEMBL4145899)	Inhibition of TAK1 (unknown origin)
50001635	50	ChEMBL_1730364 (CHEMBL4145900)	Inhibition of TIE2 (unknown origin)
50001635	51	ChEMBL_1730365 (CHEMBL4145901)	Inhibition of TRKA (unknown origin)
50001635	52	ChEMBL_1730366 (CHEMBL4145902)	Inhibition of c-SRC (unknown origin)
50001635	53	ChEMBL_1730333 (CHEMBL4145869)	Inhibition of MAPK15 (unknown origin)
50041904	1	ChEMBL_741020 (CHEMBL1764206)	Inhibition of IKK-alpha
50041904	2	ChEMBL_741022 (CHEMBL1764208)	Inhibition of IKK-beta in human PBMC assessed as TNF-alpha-induced Nuclear factor-kappa-B nuclear translocation
50041904	3	ChEMBL_741025 (CHEMBL1764211)	Inhibition of c-FMS
50041904	4	ChEMBL_741026 (CHEMBL1764212)	Inhibition of BTK
50041904	5	ChEMBL_741033 (CHEMBL1764219)	Inhibition of Aurora A kinase
50041904	6	ChEMBL_741023 (CHEMBL1764209)	Inhibition of IKK-epsilon
50041904	7	ChEMBL_741024 (CHEMBL1764210)	Inhibition of TBK-1
50041904	8	ChEMBL_741019 (CHEMBL1764205)	Inhibition of IKK-beta
50041905	1	ChEMBL_741074 (CHEMBL1764302)	Inhibition of human ERG
50041905	2	ChEMBL_741069 (CHEMBL1764297)	Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay
50041906	1	ChEMBL_740403 (CHEMBL1764461)	Antagonist activity against human CB1 receptor
50041906	2	ChEMBL_740402 (CHEMBL1764460)	Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells
50041906	3	ChEMBL_740401 (CHEMBL1764459)	Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells
50041907	1	ChEMBL_739718 (CHEMBL1763544)	Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
50033199	12	ChEMBL_742334 (CHEMBL1768783)	Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA
50033199	14	ChEMBL_742331 (CHEMBL1768780)	Inhibition of aurora B
50001635	54	ChEMBL_1730354 (CHEMBL4145890)	Inhibition of PHKg2 (unknown origin)
50001636	1	ChEMBL_1730446 (CHEMBL4145982)	Inhibition of human MAO-B using tyramine hydrochloride as substrate after 30 mins by Amplex Red reagent based horseradish peroxidase enzyme-coupled fluorescence assay
50001636	2	ChEMBL_1730445 (CHEMBL4145981)	Inhibition of human MAO-A using tyramine hydrochloride as substrate after 30 mins by Amplex Red reagent based horseradish peroxidase enzyme-coupled fluorescence assay
50033210	7	ChEMBL_741663 (CHEMBL1769655)	Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular calcium mobilization by FLIPR assay
50033210	8	ChEMBL_741670 (CHEMBL1769662)	Binding affinity to human histamine H2 receptor
50033210	9	ChEMBL_741669 (CHEMBL1769661)	Displacement of labeled dofetilide human ERG
50033210	10	ChEMBL_741667 (CHEMBL1769659)	Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular calcium mobilization at 100 nM after 30 mins by FLIPR assay
50033219	2	ChEMBL_743679 (CHEMBL1767448)	Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
50033219	3	ChEMBL_743680 (CHEMBL1767449)	Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-FRET assay relative to control
50039410	2	ChEMBL_743624 (CHEMBL1768167)	Binding affinity to human NK1 receptor
50039410	3	ChEMBL_743623 (CHEMBL1768166)	Binding affinity to gerbil NK1 receptor
50033246	6	ChEMBL_743728 (CHEMBL1767542)	Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate accumulation assay
50041908	1	ChEMBL_743645 (CHEMBL1768188)	Inhibition of human factor 10a
50041909	1	ChEMBL_743237 (CHEMBL1768991)	Agonist activity at mouse NPSR expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins
50041909	2	ChEMBL_743235 (CHEMBL1768989)	Agonist activity at human NPSR Ile107 expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins
50041909	3	ChEMBL_743234 (CHEMBL1768988)	Agonist activity at human NPSR Asn107 expressed in HEK293 cells assessed as induction of calcium mobilization after 30 mins
50001636	3	ChEMBL_1730448 (CHEMBL4145984)	Reversible-competitive inhibition of human MAO-A using varying levels of tyramine as substrate after 30 mins by Lineweaver-Burk plot
50001637	1	ChEMBL_1730474 (CHEMBL4146010)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every minute by Ellman's method
50001637	2	ChEMBL_1730475 (CHEMBL4146011)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every minute by Ellman's method
50041911	1	ChEMBL_746763 (CHEMBL1776932)	Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells
50041911	2	ChEMBL_746762 (CHEMBL1776931)	Displacement of [3H]AVP from human V1A receptor expressed in CHO cells
50041911	3	ChEMBL_746772 (CHEMBL1776941)	Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release
50041911	4	ChEMBL_746773 (CHEMBL1776942)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50041911	5	ChEMBL_746774 (CHEMBL1776943)	Displacement of [3H]AVP from human V1B receptor expressed in CHO cells
50033357	6	ChEMBL_747320 (CHEMBL1776623)	Antagonist activity at histamine H1 receptor in guinea-pig ileum
50041912	1	ChEMBL_747788 (CHEMBL1780987)	Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium production by FLIPR assay
50041912	2	ChEMBL_747787 (CHEMBL1780986)	Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium production by FLIPR assay
50041913	1	ChEMBL_751257 (CHEMBL1787625)	Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr
50033446	7	ChEMBL_751100 (CHEMBL1787037)	Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay
50041914	1	ChEMBL_751710 (CHEMBL1788061)	Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting
50041914	2	ChEMBL_751714 (CHEMBL1788065)	Inhibition of human Erg by patch clamp assay
50041915	1	ChEMBL_752251 (CHEMBL1785940)	Inhibition of CYP2C9 after 30 mins by luminescence assay
50041916	1	ChEMBL_749292 (CHEMBL1785227)	Agonist activity at PPARgamma
50041917	1	ChEMBL_749293 (CHEMBL1785228)	Binding affinity to 5HT1A receptor
50041918	1	ChEMBL_750576 (CHEMBL1786440)	Displacement of [3H]N/OFQ from human recombinant NOP receptor expressed in CHO cells
50041918	2	ChEMBL_750584 (CHEMBL1786448)	Displacement of [3H]DPN from human recombinant kappa-type opioid receptor expressed in CHO cell membranes
50041918	4	ChEMBL_750582 (CHEMBL1786446)	Displacement of [3H]DPN from human recombinant mu-type opioid receptor expressed in CHO cell membranes
50001638	1	ChEMBL_1730607 (CHEMBL4146143)	Potentiator activity at CFTR F508-del mutant (unknown origin)
50001638	2	ChEMBL_1730606 (CHEMBL4146142)	Corrector activity at CFTR F508-del mutant (unknown origin)
50033482	3	ChEMBL_749353 (CHEMBL1785143)	Antagonist activity at histamine H3 receptor in rat cortical hemispheres assessed as inhibition of forskolin stimulated cAMP accumulation after 6 hrs
50041919	1	ChEMBL_749731 (CHEMBL1787752)	Inhibition of GST-tagged p38alpha by fluorescence polarization method
50041919	2	ChEMBL_749733 (CHEMBL1787754)	Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA
50041919	3	ChEMBL_749734 (CHEMBL1787755)	Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA
50041919	4	ChEMBL_749735 (CHEMBL1787756)	Inhibition of human CYP2C9 expressed in Escherichia coli by fluorimetric assay
50041919	5	ChEMBL_749732 (CHEMBL1787753)	Inhibition of GST-tagged p38beta by fluorescence polarization method
50041919	6	ChEMBL_749736 (CHEMBL1787757)	Inhibition of human CYP1A2 expressed in Escherichia coli by fluorimetric assay
50041919	7	ChEMBL_749737 (CHEMBL1787758)	Inhibition of human CYP2C19 expressed in Escherichia coli by fluorimetric assay
50041919	8	ChEMBL_749738 (CHEMBL1787759)	Inhibition of human CYP2D6 expressed in Escherichia coli by fluorimetric assay
50041919	9	ChEMBL_749739 (CHEMBL1787760)	Inhibition of human CYP3A4 expressed in Escherichia coli by fluorimetric assay
50041919	10	ChEMBL_749955 (CHEMBL1786932)	Competitive inhibition of p38alpha catalytic activity using ATP
50033491	9	ChEMBL_749318 (CHEMBL1785099)	Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine luminescence
50041920	1	ChEMBL_753968 (CHEMBL1798351)	Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA
50041921	1	ChEMBL_753141 (CHEMBL1799141)	Inhibition of CDK5/p25 assessed as [33P]gamma-ATP incorporation into biotinylated PKTPKKAKKL substrate after 60 mins by scintillation counting
50041922	1	ChEMBL_753883 (CHEMBL1798145)	Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells
50041922	2	ChEMBL_753882 (CHEMBL1798144)	Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells
50041922	3	ChEMBL_753881 (CHEMBL1798143)	Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells
50041922	4	ChEMBL_753884 (CHEMBL1798146)	Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phosphate hydrolysis by scintillation counting
50041922	5	ChEMBL_753885 (CHEMBL1798147)	Antagonist activity against human cloned adrenergic Alpha-1B receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phosphate hydrolysis by scintillation counting
50041922	6	ChEMBL_753973 (CHEMBL1798356)	Antagonist activity against human cloned adrenergic Alpha-1D receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phosphate hydrolysis by scintillation counting
50041922	7	ChEMBL_753879 (CHEMBL1798141)	Binding affinity to adrenergic Alpha-1B receptor
50041922	8	ChEMBL_753880 (CHEMBL1798142)	Binding affinity to adrenergic Alpha-1D receptor
50041922	9	ChEMBL_753878 (CHEMBL1798140)	Binding affinity to adrenergic alpha1A receptor
50033523	12	ChEMBL_754088 (CHEMBL1798566)	Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate
50041923	1	ChEMBL_753414 (CHEMBL1799749)	Inhibition of human ERG
50041924	1	ChEMBL_754262 (CHEMBL1798949)	Inhibition of MMP2
50041924	2	ChEMBL_754229 (CHEMBL1798873)	Inhibition of human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate
50041924	3	ChEMBL_754252 (CHEMBL1798939)	Inhibition of CYP3A4
50041924	4	ChEMBL_754251 (CHEMBL1798938)	Inhibition of CYP2D6
50041924	5	ChEMBL_754249 (CHEMBL1798936)	Inhibition of CYP2C9
50041924	6	ChEMBL_754248 (CHEMBL1798935)	Inhibition of CYP1A2
50041924	7	ChEMBL_754257 (CHEMBL1798944)	Inhibition of human ERG
50041924	8	ChEMBL_754256 (CHEMBL1798943)	Time dependent inhibition of CYP3A4
50041924	9	ChEMBL_754255 (CHEMBL1798942)	Time dependent inhibition of CYP2D6
50041924	10	ChEMBL_754253 (CHEMBL1798940)	Time dependent inhibition of CYP2C9
50041924	11	ChEMBL_754228 (CHEMBL1798872)	Time dependent inhibition of CYP1A2
50041924	12	ChEMBL_754265 (CHEMBL1798952)	Inhibition of MMP14
50041924	13	ChEMBL_754263 (CHEMBL1798950)	Inhibition of MMP9
50041924	14	ChEMBL_754250 (CHEMBL1798937)	Inhibition of CYP2C19
50041924	15	ChEMBL_754254 (CHEMBL1798941)	Time dependent inhibition of CYP2C19
50041924	16	ChEMBL_754264 (CHEMBL1798951)	Inhibition of MMP12
50001638	3	ChEMBL_1730605 (CHEMBL4146141)	Corrector activity at human CFTR F508-del mutant expressed in rat FTR cells harboring YFP-H148Q/I152L preincubated for 18 to 24 hrs followed by forskolin/genistein addition by HTS assay
50001638	4	ChEMBL_1730608 (CHEMBL4146144)	Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by forskolin/genistein stimulation for 30 mins by fluorescence assay
50033588	6	ChEMBL_756290 (CHEMBL1805103)	Inhibition of human recombinant CDK5/p25
50033590	3	ChEMBL_756462 (CHEMBL1804237)	Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting
50033592	5	ChEMBL_756569 (CHEMBL1804642)	Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP
50041926	1	ChEMBL_757209 (CHEMBL1803433)	Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method
50041927	1	ChEMBL_757331 (CHEMBL1803809)	Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting
50041927	2	ChEMBL_757332 (CHEMBL1803810)	Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting
50041927	3	ChEMBL_757333 (CHEMBL1803811)	Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting
50041927	4	ChEMBL_757338 (CHEMBL1803816)	Inhibition of CYP2C9
50039426	1	ChEMBL_757594 (CHEMBL1804851)	Inhibition of CYP1A2
50039426	2	ChEMBL_757595 (CHEMBL1804852)	Inhibition of CYP2C9
50039426	4	ChEMBL_757593 (CHEMBL1804850)	Inhibition of CYP2C19
50039426	5	ChEMBL_757592 (CHEMBL1804849)	Inhibition of CYP2D6
50033628	6	ChEMBL_755477 (CHEMBL1804946)	Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells by ethidium bromide release assay
50033628	7	ChEMBL_755476 (CHEMBL1804945)	Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells by ethidium bromide release assay
50041929	1	ChEMBL_758853 (CHEMBL1810457)	Inhibition of human dUTPase using dUTP as substrate by spectrophotometric analysis
50041930	1	ChEMBL_757822 (CHEMBL1809766)	Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting
50041931	1	ChEMBL_758306 (CHEMBL1810962)	Displacement of [3H]AVP from human V2 receptor expressed in CHO cells
50041931	2	ChEMBL_758307 (CHEMBL1810963)	Displacement of [3H]AVP from human V1B receptor expressed in CHO cells
50041931	3	ChEMBL_758308 (CHEMBL1810964)	Displacement of [3H]OT from human OT receptor expressed in CHO cells
50041931	4	ChEMBL_758292 (CHEMBL1810823)	Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells
50041931	5	ChEMBL_758215 (CHEMBL1810552)	Displacement of [3H]AVP from human V1A receptor expressed in CHO cells
50041932	1	ChEMBL_758406 (CHEMBL1811272)	Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting
50041933	1	ChEMBL_759383 (CHEMBL1810621)	Binding affinity to dopamine 2 receptor
50041933	3	ChEMBL_759387 (CHEMBL1810625)	Binding affinity to adrenergic beta1 receptor
50041934	1	ChEMBL_759395 (CHEMBL1810633)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay
50041934	2	ChEMBL_759400 (CHEMBL1810638)	Displacement of labeled-dofetilide from human ERG
50041935	1	ChEMBL_759440 (CHEMBL1810766)	Inhibition of recombinant CDK2 expressed in baculovirus using [gamma-32P]-ATP by 33-P leadseeker assay
50041935	2	ChEMBL_759441 (CHEMBL1810767)	Inhibition of human flag-tagged GSK3-beta expressed in HEK-MSRII cells assessed as CRMP-2 phosphorylation by alphaLISA assay
50041935	3	ChEMBL_759342 (CHEMBL1809805)	Inhibition of human GSK3-beta expressed in baculovirus by fluorescence polarization assay
50041935	4	ChEMBL_759439 (CHEMBL1810765)	Inhibition of human full length His-tagged GSK3-beta expressed in baculovirus by alphaLISA assay
50039465	5	ChEMBL_760466 (CHEMBL1815451)	Antagonist activity against human alpha4beta2 nAChR in SHEP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux
50041936	1	ChEMBL_761248 (CHEMBL1816606)	Agonist activity at human adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation
50041936	2	ChEMBL_761247 (CHEMBL1816605)	Agonist activity at human adrenergic beta3 receptor expressed in CHO cells assessed as cAMP accumulation
50041936	3	ChEMBL_761245 (CHEMBL1816603)	Agonist activity at adrenergic beta2 receptor in guinea pig trachea assessed as inhibition of electrically-stimulated contraction
50033717	6	ChEMBL_761260 (CHEMBL1816618)	Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at holding potential -70 mV by two-microelectrode voltage clamp technique
50041937	1	ChEMBL_762352 (CHEMBL1816423)	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membrane
50041937	2	ChEMBL_762353 (CHEMBL1816424)	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membrane
50041938	1	ChEMBL_766058 (CHEMBL1828410)	Displacement of [125]I-echistatin from alphaVbeta3 integrin expressed in human U87MG cells by competitive binding assay
50041939	1	ChEMBL_766543 (CHEMBL1826889)	Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting
50041939	2	ChEMBL_766545 (CHEMBL1827026)	Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting
50041939	3	ChEMBL_766544 (CHEMBL1827025)	Displacement of [3H]histamine from human H4R receptor expressed in SK-N-MC cells at 10 uM after 1.5 hrs by liquid scintillation counting
50041939	4	ChEMBL_766548 (CHEMBL1827029)	Binding affinity to H4R receptor
50033835	8	ChEMBL_767347 (CHEMBL1825459)	Inhibition of CDK1/Cyclin B assessed as phosphorylation of Z-lyte Peptide at 0.017 to 30 nM by FRET assay
50041940	1	ChEMBL_766683 (CHEMBL1827377)	Displacement of [125I]SB-258585 from human recombinant 5HT6 receptor using methiothepin after 45 mins by liquid scintillation spectrometry
50041941	1	ChEMBL_767270 (CHEMBL1825382)	Inhibition of human HCN1 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay
50041941	2	ChEMBL_767271 (CHEMBL1825383)	Inhibition of human HCN4 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay
50041941	3	ChEMBL_767274 (CHEMBL1825386)	Inhibition of human HCN3 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay
50041941	4	ChEMBL_767273 (CHEMBL1825385)	Inhibition of human HCN2 heterologously expressed in HEK-293 cells after 30 mins by VIPR assay
50041942	1	ChEMBL_767500 (CHEMBL1825612)	Inhibition of recombinant GST-tagged wild type c-met kinase domain (residues 1056-1371) using biotin-poly EAY as substrate in the presence of ATP after 60 mins by microplate reader analysis
50041943	1	ChEMBL_768777 (CHEMBL1831759)	Displacement of [3H]-anandamide from rat brain FAAH after 30 mins by scintillation counting
50041944	1	ChEMBL_768080 (CHEMBL1833036)	Displacement of [3H]almorexant from recombinant human OX2R expressed in CHO cells
50041944	2	ChEMBL_768079 (CHEMBL1833035)	Displacement of [3H]almorexant from recombinant human OX1R expressed in CHO cells
50041944	3	ChEMBL_768077 (CHEMBL1833033)	Antagonist activity at recombinant rat OX1R expressed in CHO cells by FLIPR calcium based functional assay
50041944	4	ChEMBL_768073 (CHEMBL1833029)	Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR calcium based functional assay
50041944	5	ChEMBL_768074 (CHEMBL1833030)	Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR calcium based functional assay
50041944	6	ChEMBL_768078 (CHEMBL1833034)	Antagonist activity at recombinant rat OX2R expressed in CHO cells by FLIPR calcium based functional assay
50041945	1	ChEMBL_770381 (CHEMBL1833690)	Agonist activity at human FFA1 receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescence spectrophotometry
50033913	6	ChEMBL_769926 (CHEMBL1832110)	Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assay
50033913	7	ChEMBL_769927 (CHEMBL1832111)	Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp technique
50033925	2	ChEMBL_770043 (CHEMBL1832418)	Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting
50033925	3	ChEMBL_770045 (CHEMBL1832420)	Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting
50033925	4	ChEMBL_770115 (CHEMBL1832694)	Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as increase of acetylcholine-induced effect by electrophysiology assay
50033938	6	ChEMBL_770832 (CHEMBL1837637)	Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
50033938	7	ChEMBL_770834 (CHEMBL1837782)	Agonist activity at human S1P3 receptor expressed in RBL cells assessed as [35S]GTPgammaS binding after 3 hrs by radiometric assay
50033938	8	ChEMBL_770501 (CHEMBL1839204)	Agonist activity at human S1P5 receptor expressed in CHO-K1 aequorin cells assessed as calcium accumulation of by luminescence assay in presence of cofactor coelenterazine
50033938	9	ChEMBL_770532 (CHEMBL1839235)	Agonist activity at human S1P4 expressed in CHO-K1 aequorin cells assessed as calcium accumulation of by luminescence assay in presence of cofactor coelenterazine
50033938	10	ChEMBL_770506 (CHEMBL1839209)	Inhibition of human ERG
50033938	11	ChEMBL_770833 (CHEMBL1837638)	Agonist activity at human S1P2 receptor expressed in yeast MMY24 assessed as conversion of FDGlu to fluorescein after 24 hrs
50033959	8	ChEMBL_771217 (CHEMBL1839299)	Inhibition of human ERG
50033959	9	ChEMBL_771214 (CHEMBL1839296)	Inhibition of human 5-HT3 receptor
50033959	10	ChEMBL_771206 (CHEMBL1839288)	Inhibition of CYP 1A2
50033959	11	ChEMBL_771204 (CHEMBL1837121)	Inhibition of CYP 2D6
50033959	12	ChEMBL_771205 (CHEMBL1839287)	Inhibition of CYP 2C9
50033959	13	ChEMBL_771203 (CHEMBL1837120)	Inhibition of CYP 2C19
50041946	2	ChEMBL_772282 (CHEMBL1838604)	Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay
50041947	1	ChEMBL_772867 (CHEMBL1838270)	Inhibition of LCK
50041947	2	ChEMBL_772965 (CHEMBL1838853)	Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay
50041947	4	ChEMBL_772880 (CHEMBL1838283)	Inhibition of human ERG expressed in CHO-K1 cells after 2 hrs by Cy3b-Dofetilide-based fluorescence polarisation assay
50041947	5	ChEMBL_772966 (CHEMBL1838854)	Inhibition of ZAP70
50041947	6	ChEMBL_772866 (CHEMBL1838269)	Inhibition of LYN
50041947	7	ChEMBL_772865 (CHEMBL1838268)	Inhibition of JAK1
50041947	8	ChEMBL_772864 (CHEMBL1838267)	Inhibition of JAK2
50041947	9	ChEMBL_772862 (CHEMBL1837889)	Inhibition of JAK3
50001640	1	ChEMBL_1730630 (CHEMBL4146166)	Inhibition of Mycobacterium tuberculosis His-tagged DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spectrophotometric method
50001640	2	ChEMBL_1730631 (CHEMBL4146167)	Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using DHF as substrate measured every 30 secs over 6 mins by spectrophotometric method
50033996	2	ChEMBL_772128 (CHEMBL1838047)	Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as increase of carbamylcholine-induced 86Rb+ ion efflux by liquid scintillation counting
50033996	3	ChEMBL_772299 (CHEMBL1838621)	Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux by liquid scintillation counting
50041948	1	ChEMBL_772390 (CHEMBL1838989)	Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode voltage clamp assay
50041948	2	ChEMBL_772391 (CHEMBL1838990)	Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode voltage clamp assay
50041948	3	ChEMBL_772392 (CHEMBL1838991)	Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltage clamp assay
50041949	1	ChEMBL_772608 (CHEMBL1839694)	Inhibition of CYP1A2
50041949	2	ChEMBL_772609 (CHEMBL1839695)	Inhibition of CYP2C9
50041949	3	ChEMBL_772610 (CHEMBL1839696)	Inhibition of CYP2C19
50041949	4	ChEMBL_772612 (CHEMBL1839698)	Inhibition of CYP3A4
50041949	5	ChEMBL_772613 (CHEMBL1839699)	Time dependent inhibition of CYP1A2
50041949	6	ChEMBL_772614 (CHEMBL1839700)	Time dependent inhibition of CYP2C9
50041949	7	ChEMBL_772615 (CHEMBL1839701)	Time dependent inhibition of CYP2C19
50041949	8	ChEMBL_772617 (CHEMBL1839703)	Time dependent inhibition of CYP3A4
50041949	9	ChEMBL_772618 (CHEMBL1839704)	Activation of human PXR expressed in african green monkey CV1 cells transfected with pSG5-hPXRDATG and (ER6)3-tk-CAT reporter
50041949	10	ChEMBL_772611 (CHEMBL1839697)	Inhibition of CYP2D6
50041949	11	ChEMBL_772616 (CHEMBL1839702)	Time dependent inhibition of CYP2D6
50041950	1	ChEMBL_772741 (CHEMBL1837353)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP formation after 45 mins by fluorescence assay
50041950	2	ChEMBL_772911 (CHEMBL1838314)	Displacement of [3H]-dofetilide from human ERG channel expressed in HEK293 by scintillation counting
50001640	3	ChEMBL_1730619 (CHEMBL4146155)	Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method
50001640	4	ChEMBL_1730618 (CHEMBL4146154)	Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli assessed as reduction in consumption of NADPH using DHF as substrate by fluorescence method
50001640	5	ChEMBL_1730616 (CHEMBL4146152)	Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF as substrate preincubated for 1 min followed by DHF addition and measured for 2 mins by spectrophotometric method
50001640	6	ChEMBL_1730621 (CHEMBL4146157)	Inhibition of Mycobacterium tuberculosis H37Rv DHFR assessed as reduction in consumption of NADPH using DHF as substrate incubated for 3 mins measured for 2 mins by spectrophotometric method
50001640	7	ChEMBL_1730623 (CHEMBL4146159)	Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate incubated for 3 mins measured for 2 mins by spectrophotometric method
50041951	2	ChEMBL_773265 (CHEMBL1840217)	Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation
50041951	3	ChEMBL_773266 (CHEMBL1840218)	Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation
50041951	4	ChEMBL_773268 (CHEMBL1840220)	Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response
50034045	3	ChEMBL_775907 (CHEMBL1912880)	Inhibition of human recombinant CDK5/p25 using histone H1 and [33P-gamma]-ATP after 30 mins by scintillation counting
50041952	1	ChEMBL_775966 (CHEMBL1912709)	Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting
50041952	2	ChEMBL_775967 (CHEMBL1912710)	Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins
50041952	3	ChEMBL_775917 (CHEMBL1912890)	Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting
50041952	4	ChEMBL_775972 (CHEMBL1912970)	Partial agonist activity at human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 assessed as stimulation of [35S]GTPgammaS binding
50041952	5	ChEMBL_775973 (CHEMBL1912971)	Inverse agonist activity at human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 assessed as stimulation of [35S]GTPgammaS binding
50041953	1	ChEMBL_775934 (CHEMBL1912677)	Antagonist activity at human recombinant NK1 receptor expressed in human U20S cells assessed as effect on substance P-induced intracellular calcium level by FLIPR assay
50041953	2	ChEMBL_775935 (CHEMBL1912678)	Antagonist activity at human recombinant NK3 receptor expressed in human U20S cells assessed as effect on NKB-induced intracellular calcium level by FLIPR assay
50034091	7	ChEMBL_785248 (CHEMBL1921329)	Displacement of [3H]-histamine from guinea pig H4R expressed in HEK293T cells
50034091	8	ChEMBL_785249 (CHEMBL1921330)	Displacement of [3H]-histamine from rat H4R expressed in HEK293T cells
50034091	9	ChEMBL_785250 (CHEMBL1921331)	Displacement of [3H]-histamine from mouse H4R expressed in HEK293T cells
50018264	2	ChEMBL_2268356	Agonist activity at RXRbeta (unknown origin)
50018264	3	ChEMBL_2268357	Agonist activity at RXRgamma (unknown origin)
50041954	1	ChEMBL_788594 (CHEMBL1918629)	Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells
50041954	2	ChEMBL_788595 (CHEMBL1918630)	Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells
50001640	8	ChEMBL_1730639 (CHEMBL4146175)	Inhibition of human DHFR
50001642	1	ChEMBL_1730648 (CHEMBL4146184)	Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay
50041954	4	ChEMBL_788521 (CHEMBL1918360)	Inhibition of human GAT1 assessed as [3H]GABA uptake
50041954	5	ChEMBL_788523 (CHEMBL1918362)	Inhibition of human BGT1 assessed as [3H]GABA uptake
50041954	6	ChEMBL_788524 (CHEMBL1918363)	Inhibition of rat GAT2 assessed as [3H]GABA uptake
50001642	2	ChEMBL_1730658 (CHEMBL4146194)	Transactivation of full length FXR (unknown origin) expressed in HEK293 cells co-expressing pSG5RXR/pGL4.74/ pGL4.23(IR1)X3 after 18 hrs by luciferase reporter gene assay
50001644	1	ChEMBL_1730671 (CHEMBL4146207)	Inhibition of recombinant ALK (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50001644	2	ChEMBL_1730678 (CHEMBL4146214)	Inhibition of recombinant ALK L1152R mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50001644	3	ChEMBL_1730677 (CHEMBL4146213)	Inhibition of recombinant ALK R1275Q mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50041954	10	ChEMBL_788522 (CHEMBL1918361)	Inhibition of human GAT3 assessed as [3H]GABA uptake
50001644	4	ChEMBL_1730676 (CHEMBL4146212)	Inhibition of recombinant ALK S1206Y mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50001644	5	ChEMBL_1730675 (CHEMBL4146211)	Inhibition of recombinant ALK T1151M mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50001644	6	ChEMBL_1730674 (CHEMBL4146210)	Inhibition of recombinant ALK G1202R mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50041955	1	ChEMBL_788268 (CHEMBL1919531)	Inhibition of CYP1A2
50041955	2	ChEMBL_788269 (CHEMBL1919532)	Inhibition of CYP2C9
50041955	3	ChEMBL_788270 (CHEMBL1919533)	Inhibition of CYP2C19
50041955	4	ChEMBL_788271 (CHEMBL1919534)	Inhibition of CYP2D6
50041955	5	ChEMBL_788272 (CHEMBL1919535)	Inhibition of CYP3A4
50001644	7	ChEMBL_1730673 (CHEMBL4146209)	Inhibition of recombinant ALK L1196M mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins by ELISA
50001645	1	ChEMBL_1730727 (CHEMBL4146263)	Inhibition of DHBV reverse transcriptase polymerase activity expressed in reticulocyte system assessed as reduction in elongation of viral minus strand DNA in presence of [alpha32P]DNA
50001646	1	ChEMBL_1730791 (CHEMBL4146327)	Binding affinity to human carbonic anhydrase 9 by spectrofluorimetric analysis
50001646	2	ChEMBL_1730790 (CHEMBL4146326)	Inhibition of human carbonic anhydrase 2 using 4-NPA as substrate after 3 mins by spectrophotometric analysis
50001646	3	ChEMBL_1730789 (CHEMBL4146325)	Inhibition of human carbonic anhydrase 9 using 4-NPA as substrate after 3 mins by spectrophotometric analysis
50041956	1	ChEMBL_785558 (CHEMBL1920205)	Displacement of [3H]GW875240X from human prostanoid EP1 receptor expressed in CHO-K1 cells after 45 mins by topcount liquid scintillation counting
50041956	2	ChEMBL_785557 (CHEMBL1920204)	Displacement of [3H]PGE2 from human prostanoid EP1 receptor expressed in CHO-K1 cells after 30 mins by topcount liquid scintillation counting
50041956	3	ChEMBL_785480 (CHEMBL1919959)	Antagonist activity at human recombinant EP1 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobilization by FLIPR method
50041956	4	ChEMBL_785556 (CHEMBL1920203)	Antagonist activity at human recombinant EP3 receptor expressed in CHO-K1 cells assessed as inhibition of PGE2-mediated intracellular calcium mobilization by FLIPR method
50034140	2	ChEMBL_785491 (CHEMBL1919970)	Inhibition of rat recombinant PDE10A expressed in baculovirus infected insect Sf9 cells using [3H]cAMP as substrate after 60 mins by scintillation counting
50034170	14	ChEMBL_790078 (CHEMBL1925468)	Inhibition of human recombinant mTOR expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 measured after 30 mins by fluorescence polarization assay
50034171	6	ChEMBL_790666 (CHEMBL1926119)	Inhibition of CDK1/cyclin B
50041957	1	ChEMBL_789899 (CHEMBL1925206)	Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting
50041957	2	ChEMBL_789900 (CHEMBL1925207)	Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting
50034206	2	ChEMBL_790411 (CHEMBL1925864)	Inhibition of CDK1/Cyclin B in human HeLa cell extracts using histone H1 as substrate preincubated for 30 mins before substrate addition measured after 15 mins by autoradiography
50034218	3	ChEMBL_791037 (CHEMBL1925747)	Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before MCP-1 challenge measured after 5 mins by flow cytometry
50034218	4	ChEMBL_791050 (CHEMBL1925760)	Inhibition of human ERG
50034218	5	ChEMBL_791051 (CHEMBL1925761)	Antagonist activity at CCR1
50034218	6	ChEMBL_791052 (CHEMBL1925762)	Antagonist activity at CCR4
50041958	1	ChEMBL_789189 (CHEMBL1924273)	Displacement of [3H]NMS from recombinant human M3 receptor expressed in CHO-K1 cells after 16 hrs
50041958	2	ChEMBL_789190 (CHEMBL1924274)	Displacement of [3H]NMS from recombinant human M2 receptor expressed in CHO-K1 cells after 16 hrs
50041959	1	ChEMBL_793157 (CHEMBL1931471)	Binding affinity to human NK3 receptor expressed in CHO cells
50034263	2	ChEMBL_792212 (CHEMBL1930739)	Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes
50034263	3	ChEMBL_792210 (CHEMBL1930737)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes without cerebellum
50034310	2	ChEMBL_795897 (CHEMBL1936461)	Inhibition of CYP2D6
50034310	3	ChEMBL_795896 (CHEMBL1936460)	Inhibition of CYP1A1
50001647	1	ChEMBL_1730813 (CHEMBL4146349)	Inhibition of human recombinant alpha-galactosidase A using 4-MU-alpha-d-galactopyranoside as substrate by fluorescence assay
50001647	2	ChEMBL_1730805 (CHEMBL4146341)	Competitive inhibition of human recombinant alpha-galactosidase A using 4-MU-alpha-d-galactopyranoside as substrate by Lineweaver-Burk plot method
50041960	2	ChEMBL_796520 (CHEMBL1937835)	Inhibition of CYP2C19
50041960	3	ChEMBL_796521 (CHEMBL1937836)	Inhibition of CYP2D6
50041960	4	ChEMBL_796522 (CHEMBL1937837)	Inhibition of CYP3A4
50041960	5	ChEMBL_796519 (CHEMBL1937834)	Inhibition of CYP2C9
50041960	6	ChEMBL_796518 (CHEMBL1937833)	Inhibition of CYP1A2
50001648	1	ChEMBL_1730827 (CHEMBL4146363)	Inhibition of human GST-tagged SHP1 (244 to 570 residues) expressed in Escherichia coli BL21-CondenPlus (DE3) using pNNP as substrate
50041960	8	ChEMBL_796507 (CHEMBL1937822)	Inhibition of OATP1B1 transporter
50001648	2	ChEMBL_1730828 (CHEMBL4146364)	Inhibition of human GST-tagged SHP2 (1116 to 2162 residues) expressed in Escherichia coli BL21-CondenPlus (DE3) using pNNP as substrate
50041961	1	ChEMBL_795215 (CHEMBL1936874)	Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes
50041961	2	ChEMBL_795214 (CHEMBL1936782)	Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells
50041962	1	ChEMBL_799997 (CHEMBL1941703)	Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as decrease in epibatidine-induced calcium mobilization up to 100 uM measured every 1.5 sec by fluorescence analysis
50041962	2	ChEMBL_799990 (CHEMBL1941696)	Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobilization measured every 1.5 sec by fluorescence analysis
50034417	10	ChEMBL_797373 (CHEMBL1942949)	Inhibition of CYP2D6
50034417	11	ChEMBL_797372 (CHEMBL1942948)	Inhibition of CYP2C19
50034417	12	ChEMBL_797371 (CHEMBL1942947)	Inhibition of CYP2C9
50034417	13	ChEMBL_797370 (CHEMBL1942946)	Inhibition of CYP1A2
50034417	5	ChEMBL_798835 (CHEMBL1943711)	Inhibition of MMP14 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis
50041963	1	ChEMBL_797547 (CHEMBL1943463)	Displacement of [3H]epibatidine from human alpha4beta2 nAchR expressed in SH-EP1 cells
50001648	3	ChEMBL_1730829 (CHEMBL4146365)	Inhibition of human GST-tagged LAR D1 (1275 to 1613 residues) expressed in Escherichia coli BL21-CondenPlus (DE3) using pNNP as substrate
50001648	4	ChEMBL_1730825 (CHEMBL4146361)	Inhibition of recombinant human PTP1B using pNNP as substrate after 30 mins
50001648	5	ChEMBL_1730826 (CHEMBL4146362)	Inhibition of human TCPTP using pNNP as substrate after 30 mins
50001649	1	ChEMBL_1730835 (CHEMBL4146371)	Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50041964	3	ChEMBL_797651 (CHEMBL1943769)	Agonist activity at recombinant human beta1-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay
50034452	2	ChEMBL_797629 (CHEMBL1943747)	Displacement of [3H]nicotine from nAChR alpha4beta2 receptor
50034452	3	ChEMBL_797631 (CHEMBL1943749)	Displacement of [3H]epibatidine from nAChR alpha4beta2 receptor
50041965	1	ChEMBL_800687 (CHEMBL1947809)	Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay
50041965	3	ChEMBL_800688 (CHEMBL1947810)	Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay
50041965	4	ChEMBL_800676 (CHEMBL1947798)	Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction
50001649	2	ChEMBL_1730836 (CHEMBL4146372)	Antagonist activity at 5HT6R (unknown origin) transfected in NG108-15 cells co-transfected with CAMYEL assessed as reduction in cAMP levels after 5 mins by Coelanterazine H-based BRET assay
50001649	3	ChEMBL_1730837 (CHEMBL4146373)	Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50001649	4	ChEMBL_1730838 (CHEMBL4146374)	Displacement of [3H]-Ketanserin from human 5HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method
50001649	5	ChEMBL_1730839 (CHEMBL4146375)	Displacement of [3H]-5-CT from human 5HT7BR expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50001649	6	ChEMBL_1730840 (CHEMBL4146376)	Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50001649	7	ChEMBL_1730867 (CHEMBL4146403)	Binding affinity to 5HT6R (unknown origin)
50001649	8	ChEMBL_1730868 (CHEMBL4146404)	Inhibition of CYP3A4 (unknown origin) after 2 hrs by firefly luciferase-luminescence based P450-glo assay
50001649	9	ChEMBL_1730869 (CHEMBL4146405)	Inhibition of CYP2D6 (unknown origin) after 2 hrs by firefly luciferase-luminescence based P450-glo assay
50001650	1	ChEMBL_1730925 (CHEMBL4146461)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50001650	2	ChEMBL_1730930 (CHEMBL4146466)	Inhibition of human PDE10A2 catalytic domain (448 to 789 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50001650	3	ChEMBL_1730929 (CHEMBL4146465)	Inhibition of human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50001650	4	ChEMBL_1730928 (CHEMBL4146464)	Inhibition of human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50001650	5	ChEMBL_1730927 (CHEMBL4146463)	Inhibition of human PDE2A3 catalytic domain (222 to 904 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50041965	6	ChEMBL_800686 (CHEMBL1947808)	Binding affinity to beta1 adrenoceptor expressed in CHO cells by cAMP accumulation assay
50001650	6	ChEMBL_1730926 (CHEMBL4146462)	Inhibition of human PDE1B2 catalytic domain (10 to 487 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50001652	1	ChEMBL_1731030 (CHEMBL4146566)	Inhibition of human GSK3alpha
50041965	10	ChEMBL_800670 (CHEMBL1947792)	Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor
50001652	2	ChEMBL_1731029 (CHEMBL4146565)	Inhibition of recombinant GSK3-beta (unknown origin) assessed as decrease in phosphorylation of CREB at serine-129 in presence of ATP[gamma-33P] by filter binding assay
50001652	3	ChEMBL_1731036 (CHEMBL4146572)	Inhibition of pig brain GSK3beta using GS1 as substrate after 30 mins
50001652	4	ChEMBL_1731032 (CHEMBL4146568)	Inhibition of human GSK3beta using YRRAAVPPSPSLSRHSSPHQS(PO4)EDEEE-NH2 as substrate after 60 mins in presence of [33gammaP]-ATP by topcount method
50001652	5	ChEMBL_1731031 (CHEMBL4146567)	Inhibition of human GSK3alpha using biotin-Ahx-AAAKRREILSRRP-S(PO3)YR-amide as substrate after 40 mins in presence of [33gammaP]-ATP by SPA
50001652	6	ChEMBL_1731038 (CHEMBL4146574)	Inhibition of human GSK3beta by scintillation proximity assay
50001652	7	ChEMBL_1731026 (CHEMBL4146562)	Inhibition of GSK-3beta (unknown origin)
50001653	1	ChEMBL_1731081 (CHEMBL4146617)	Inhibition of Chk2 (unknown origin) by spectrophotometric analysis
50041966	1	ChEMBL_800455 (CHEMBL1948476)	Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50041966	2	ChEMBL_800456 (CHEMBL1948477)	Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting
50041966	3	ChEMBL_800453 (CHEMBL1948474)	Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50041966	4	ChEMBL_800454 (CHEMBL1948475)	Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting
50041967	1	ChEMBL_801354 (CHEMBL1947999)	Inhibition of human recombinant renin assessed as decrease in release of AngI from tetradecapeptide after 3 hrs by EIA
50034496	7	ChEMBL_801450 (CHEMBL1948272)	Inhibition of N-terminus His-6 tagged human B-Raf expressed in baculovirus infected insect Sf9 cells
50041968	1	ChEMBL_801488 (CHEMBL1948415)	Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting
50041968	2	ChEMBL_801489 (CHEMBL1948416)	Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting
50041968	3	ChEMBL_801486 (CHEMBL1948413)	Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting
50041968	4	ChEMBL_801487 (CHEMBL1948414)	Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting
50034520	2	ChEMBL_802020 (CHEMBL1949178)	Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP after 30 mins by scintillation counting
50034523	3	ChEMBL_802200 (CHEMBL1949358)	Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 60 mins
50034537	9	ChEMBL_803389 (CHEMBL1952848)	Inhibition of CDK1/cyclin B by IMAP assay
50034541	5	ChEMBL_803980 (CHEMBL1954960)	Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034541	6	ChEMBL_803981 (CHEMBL1954961)	Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay
50034549	3	ChEMBL_805342 (CHEMBL1955235)	Agonist activity at human P2Y purinoceptor 2 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034549	4	ChEMBL_805343 (CHEMBL1955236)	Agonist activity at human P2Y purinoceptor 4 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetry
50034550	4	ChEMBL_802335 (CHEMBL1954479)	Antagonist activity rat recombinant GluN1/GluN2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by two-electrode voltage-clamp electrophysiology assay
50034550	5	ChEMBL_802334 (CHEMBL1954478)	Antagonist activity rat recombinant GluN1/GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by two-electrode voltage-clamp electrophysiology assay
50034550	6	ChEMBL_802333 (CHEMBL1954477)	Antagonist activity at rat recombinant GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate-induced response by two-electrode voltage-clamp electrophysiology assay
50034592	5	ChEMBL_803928 (CHEMBL1954615)	Agonist activity at human recombinant alpha4beta2 nAChR in HEK293 cells by FLIPR assay
50034592	6	ChEMBL_803924 (CHEMBL1954611)	Agonist activity at alpha4beta2 nAChR receptor by FLIPR assay
50041969	1	ChEMBL_804324 (CHEMBL1954620)	Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis
50034601	2	ChEMBL_804869 (CHEMBL1953787)	Agonist activity at beta2 adrenoceptor in guinea pig assessed as relaxation of histamine-induced tracheal ring contraction
50034601	3	ChEMBL_804872 (CHEMBL1953790)	Competitive antagonist activity at beta2-adrenoceptor in guinea pig tracheal ring in the presence of N-(5-((1R)-2-(4-(4-(3,4-dimethoxyphenol)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2(1H)-yl)butylamino-1-hydroxyethyl)-2-hydroxyphenyl)formamide
50034606	4	ChEMBL_802705 (CHEMBL1953231)	Displacement of biotinylated fibrinogen from human alpha5-beta3 receptor after 2 hrs by chemiluminescence assay
50001655	1	ChEMBL_1731301 (CHEMBL4146837)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every minute for 10 mins by Ellman's method
50039487	1	ChEMBL_807432 (CHEMBL1960803)	Inhibition of recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluorescence assay in presence of bovine serum albumin
50039487	4	ChEMBL_807435 (CHEMBL1960806)	Inhibition of recombinant Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as NADH production preincubated for 5 mins by fluorescence assay
50034641	5	ChEMBL_807817 (CHEMBL1959595)	Inhibition of human PI3K p110alpha/p85alpha
50034641	6	ChEMBL_807819 (CHEMBL1959597)	Inhibition of human PI3K p110delta/p85alpha
50034641	7	ChEMBL_807820 (CHEMBL1959598)	Inhibition of human PI3K p110gamma
50041971	1	ChEMBL_805961 (CHEMBL1960289)	Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometric analysis
50041971	3	ChEMBL_805960 (CHEMBL1960288)	Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells
50001655	2	ChEMBL_1731300 (CHEMBL4146836)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every minute for 10 mins by Ellman's method
50041972	1	ChEMBL_806223 (CHEMBL1958764)	Displacement of [3H][desArg9]Lys-Bradykinin from human bradykinin B1 receptor expressed in CHO cells
50041972	2	ChEMBL_806222 (CHEMBL1958763)	Antagonist activity at human bradykinin B2 receptor expressed in dhfr-deficient CHO cells assessed as inhibition of bradykinin-induced inositol monophosphate accumulation preincubated for 15 mins prior bradykinin induction measured after 40 mins by liquid scintillation spectrometry
50041972	3	ChEMBL_806221 (CHEMBL1958762)	Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting
50041972	4	ChEMBL_806231 (CHEMBL1958772)	Antagonist activity at guinea pig bradykinin B2 receptor in longitudinal smooth muscle assessed as inhibition of bradykinin-induced contractile responses
50041973	1	ChEMBL_807929 (CHEMBL1959312)	Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting
50041973	3	ChEMBL_807924 (CHEMBL1959307)	Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting
50041973	4	ChEMBL_807938 (CHEMBL1959710)	Binding affinity to alpha1A adrenergic receptor
50041973	5	ChEMBL_808072 (CHEMBL1961180)	Binding affinity to 5HT1A receptor
50041974	1	ChEMBL_808084 (CHEMBL1961192)	Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor
50039501	14	ChEMBL_809834 (CHEMBL2014771)	Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039501	15	ChEMBL_809819 (CHEMBL2014703)	Inhibition of recombinant human HDAC3-NCoR2 using Fluor-de-Lys as substrate after 30 mins by spectrophotometry
50039550	2	ChEMBL_809730 (CHEMBL2016149)	Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay
50041975	1	ChEMBL_813766 (CHEMBL2020024)	Agonist activity at S1P1 receptor by Tango assay
50041975	2	ChEMBL_813767 (CHEMBL2020025)	Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay
50039667	11	ChEMBL_815079 (CHEMBL2024804)	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay
50039669	13	ChEMBL_815354 (CHEMBL2026858)	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay
50039781	3	ChEMBL_819767 (CHEMBL2034279)	Agonist activity at SIP1 receptor by tango assay
50039781	4	ChEMBL_819768 (CHEMBL2034280)	Agonist activity at human SIP3 receptor assessed as calcium mobilization by GeneBLAzer assay
50039917	3	ChEMBL_826558 (CHEMBL2050726)	Agonist activity at KCNQ2/KCNQ3 expressed in CHO cells assessed as increase in KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction by liquid scintillation counting
50039917	4	ChEMBL_826559 (CHEMBL2050727)	Antagonist activity at KCNQ1/MINK expressed in CHO cells assessed as inhibition of KCl-induced 86Rb+ efflux incubated for 10 mins prior to KCl-induction by liquid scintillation counting
50041976	1	ChEMBL_830306 (CHEMBL2060895)	Positive allosteric modulation of human M4 receptor expressed in CHO-K1 cells coexpressing Gqi5 assessed as potentiation of acetylcholine-mediated calcium mobilization incubated for 144 secs prior to acetylcholine addition by Fluo-4-AM staining
50041977	1	ChEMBL_830234 (CHEMBL2060785)	Agonist activity at GPR120 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 5 mins by BRET assay
50041977	2	ChEMBL_830235 (CHEMBL2060786)	Agonist activity at FFAR1 expressed in HEK 293 cells assessed as beta-arrestin recruitment after 30 mins by BRET assay
50041977	3	ChEMBL_830237 (CHEMBL2060788)	Agonist activity at GPR120 expressed in Flp-In TREx293 cells by calcium assay
50041977	4	ChEMBL_830238 (CHEMBL2060789)	Agonist activity at mouse GPR120
50041977	5	ChEMBL_830244 (CHEMBL2060795)	Agonist activity at FFAR1 expressed in Flp-In TREx293 cells by calcium assay
50040059	2	ChEMBL_829446 (CHEMBL2061925)	Agonist activity at 5HT4 receptor in guinea pig colon assessed as longitudinal muscle plexus contraction
50040078	6	ChEMBL_831129 (CHEMBL2065942)	Inhibition of recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis
50040078	7	ChEMBL_831144 (CHEMBL2065957)	Competitive inhibition of HDAC3/NCoR2 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis
50040089	3	ChEMBL_832880 (CHEMBL2066642)	Agonist activity at human C3a receptor expressed in RBL-2H3 cells assessed as beta-hexosaminidase activity in cell supernatant by degranulation assay
50040089	4	ChEMBL_832878 (CHEMBL2066640)	Agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R staining by microplate reader
50040089	5	ChEMBL_832883 (CHEMBL2066645)	Partial agonist activity at C3a receptor in dbcAMP differentiated human U937 cells assessed as increase in intracellular calcium using Fluo-R staining by microplate reader
50041979	1	ChEMBL_837908 (CHEMBL2077614)	TP_TRANSPORTER: inhibition of Cerivastatin uptake in OATP2-expressing MDCKII cells
50041980	3	ChEMBL_838985 (CHEMBL2078502)	TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cells
50001656	1	ChEMBL_1731353 (CHEMBL4146889)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by whole cell Qpatch assay
50041980	4	ChEMBL_837608 (CHEMBL2076408)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells
50001656	2	ChEMBL_1731331 (CHEMBL4146867)	Inhibition of Staphylococcus aureus Newman 6His-tagged CrtN expressed in Escherichia coli BL21(DE3) assessed as 4,4'-diapophytoene accumulation by Western blot analysis
50001657	1	ChEMBL_1731371 (CHEMBL4146907)	Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
50041982	1	ChEMBL_838713 (CHEMBL2078495)	TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells
50041982	2	ChEMBL_838729 (CHEMBL2078555)	TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells
50041982	3	ChEMBL_838776 (CHEMBL2078602)	TP_TRANSPORTER: inhibition of TEA uptake (apical to cell) in OCT2-expressing MDCK cells
50041983	1	ChEMBL_838484 (CHEMBL2076055)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK cells
50041983	2	ChEMBL_838514 (CHEMBL2078142)	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing MDCK cells
50041983	3	ChEMBL_838507 (CHEMBL2078135)	TP_TRANSPORTER: inhibition of TEA uptake in OCT2-expressing MDCK cells
50041983	4	ChEMBL_838487 (CHEMBL2076058)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells
50041984	1	ChEMBL_836287 (CHEMBL2076300)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50041985	1	ChEMBL_835926 (CHEMBL2077064)	TP_TRANSPORTER: inhibition of MTX uptake in Xenopus laevis oocytes
50041985	2	ChEMBL_838885 (CHEMBL2078288)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50041986	1	ChEMBL_838527 (CHEMBL2078155)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50041987	1	ChEMBL_836120 (CHEMBL2077556)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells
50041988	1	ChEMBL_838179 (CHEMBL2076651)	TP_TRANSPORTER: inhibition of Estrone sulfate in Xenopus laevis oocytes
50041989	1	ChEMBL_836526 (CHEMBL2077163)	TP_TRANSPORTER: inhibition of ochratoxin A uptake (ochratoxin A / 1uM) in Xenopus laevis oocytes
50041990	1	ChEMBL_839139 (CHEMBL2077810)	TP_TRANSPORTER: inhibition of Dopamine uptake (Dopamine: 200 uM) in Xenopus laevis oocytes
50041991	1	ChEMBL_837113 (CHEMBL2076365)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells
50041992	1	ChEMBL_838168 (CHEMBL2076640)	TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT3-S2 cells
50041992	2	ChEMBL_838813 (CHEMBL2077720)	TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT4-S2 cells
50041992	3	ChEMBL_836508 (CHEMBL2077038)	TP_TRANSPORTER: uptake&inhibition of PAH in OAT1-S2 cells
50041992	4	ChEMBL_838182 (CHEMBL2076654)	TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT3
50041992	5	ChEMBL_837319 (CHEMBL2075408)	TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT4
50041992	6	ChEMBL_836539 (CHEMBL2077176)	TP_TRANSPORTER: inhibition of PAH uptake (PAH: 5 uM, indoxyl sulfate:500 uM) in S2 human-OAT1 expressing cells
50041993	1	ChEMBL_838411 (CHEMBL2076433)	TP_TRANSPORTER: inhibition of carnitine in Xenopus laevis oocytes
50041994	1	ChEMBL_836434 (CHEMBL2076874)	TP_TRANSPORTER: inhibition of E1S uptake in OAT4-expressing S2 cells
50041994	2	ChEMBL_836101 (CHEMBL2077537)	TP_TRANSPORTER: inhibition of PGF2alpha uptake in OAT2-expressing S2 cells
50041995	1	ChEMBL_837112 (CHEMBL2076364)	TP_TRANSPORTER: inhibition of VACV uptake in PEPT1-expressing CHO cells
50041996	1	ChEMBL_836310 (CHEMBL2076474)	TP_TRANSPORTER: increase in mitoxantrone intracellular accumulation in BCRP-expressing HEK cells
50041997	1	ChEMBL_837294 (CHEMBL2075383)	TP_TRANSPORTER: binding in membrane vesicle from CEM/VLB100 cells
50041998	1	ChEMBL_838471 (CHEMBL2076042)	TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells
50041999	1	ChEMBL_839218 (CHEMBL2077889)	TP_TRANSPORTER: inhibition of Calcein-AM transport in HL60-MRP1 cells
50041999	2	ChEMBL_837127 (CHEMBL2076528)	TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)
50041999	3	ChEMBL_837945 (CHEMBL2075114)	TP_TRANSPORTER: inhibition of ATPase activity in Sf9 cells (membrane vesicles)
50042000	1	ChEMBL_838024 (CHEMBL2075282)	TP_TRANSPORTER: efflux in KB 8-5-11 Rluc cells
50042001	1	ChEMBL_837480 (CHEMBL2075968)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50042002	1	ChEMBL_838299 (CHEMBL2076247)	TP_TRANSPORTER: inhibition of Adefovir uptake in OAT1-expressing CHO cells
50042003	1	ChEMBL_838743 (CHEMBL2078569)	TP_TRANSPORTER: inhibition of MTX uptake in OAT-K1-expressing MDCK cells
50042004	1	ChEMBL_837488 (CHEMBL2075976)	TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes
50042005	1	ChEMBL_836433 (CHEMBL2076873)	TP_TRANSPORTER: inhibition of TEA uptake (apical to cell) in OCT2-expressing NIH3T3 cells
50042006	1	ChEMBL_838982 (CHEMBL2078499)	TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes
50042007	1	ChEMBL_838757 (CHEMBL2078583)	TP_TRANSPORTER: drug resistance (paclitaxel) in MES-SA/DX5 cells
50042007	2	ChEMBL_839291 (CHEMBL2077962)	TP_TRANSPORTER: drug resistance (paclitaxel) in HCT15/CL02 cells
50042008	1	ChEMBL_838709 (CHEMBL2078491)	TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells
50042009	1	ChEMBL_836284 (CHEMBL2076297)	TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicles from Bsep-expressing Sf9 cells
50042010	1	ChEMBL_838505 (CHEMBL2078133)	TP_TRANSPORTER: inhibition of estradiol-17beta-glucuronide uptake(estradiol-17beta-glucuronide:0.02uM) in OATP1B1-expressing HEK293 cells
50042010	2	ChEMBL_838520 (CHEMBL2078148)	TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cells
50042010	3	ChEMBL_838509 (CHEMBL2078137)	TP_TRANSPORTER: inhibition of calcein-AM efflux in MRP2-expressing MDCK cells
50042011	1	ChEMBL_836971 (CHEMBL2075811)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-COS7 cells
50042011	2	ChEMBL_836523 (CHEMBL2077053)	TP_TRANSPORTER: trans-stimulation in OAT1-COS7 cells
50042011	3	ChEMBL_836531 (CHEMBL2077168)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing CHO cells
50042012	1	ChEMBL_836622 (CHEMBL2077363)	TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from female rat
50042012	2	ChEMBL_837474 (CHEMBL2075962)	TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from male rat
50042013	1	ChEMBL_836761 (CHEMBL2075183)	TP_TRANSPORTER: inhibition of mitoxantrone efflux in BCRP-expressing MCF7-MX cells
50042014	1	ChEMBL_838301 (CHEMBL2076249)	TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells
50042015	1	ChEMBL_837636 (CHEMBL2076589)	TP_TRANSPORTER: inhibition of Hydroxydoxorubicin efflux in K562/Adr cells
50042016	1	ChEMBL_835940 (CHEMBL2077078)	TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cells
50042016	2	ChEMBL_836765 (CHEMBL2075187)	TP_TRANSPORTER: inhibition of ATPase activity in BCRP-expressing Sf9 cells
50042017	1	ChEMBL_836764 (CHEMBL2075186)	TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells
50042018	1	ChEMBL_837274 (CHEMBL2075363)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50042019	1	ChEMBL_836601 (CHEMBL2077342)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50042020	1	ChEMBL_838654 (CHEMBL2078385)	TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M24 cells
50042020	2	ChEMBL_838653 (CHEMBL2078384)	TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M6 cells
50042020	3	ChEMBL_838655 (CHEMBL2078386)	TP_TRANSPORTER: cell accumulation in MCF7/MRP1-10 cells
50042021	1	ChEMBL_837091 (CHEMBL2076343)	TP_TRANSPORTER: inhibition of D-Phe-L-Gln uptake in Xenopus laevis oocytes
50042022	1	ChEMBL_836269 (CHEMBL2076282)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50042023	1	ChEMBL_836745 (CHEMBL2075167)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50042024	1	ChEMBL_838256 (CHEMBL2076204)	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells
50042025	1	ChEMBL_836778 (CHEMBL2075303)	TP_TRANSPORTER: inhibition of Dopamine uptake in OCT2-expressing HEK293 cells
50042025	2	ChEMBL_836780 (CHEMBL2075305)	TP_TRANSPORTER: inhibition of Adrenaline uptake in OCT2-expressing HEK293 cells
50042025	3	ChEMBL_836776 (CHEMBL2075301)	TP_TRANSPORTER: inhibition of Noradrenaline uptake in OCT2-expressing HEK293 cells
50042025	4	ChEMBL_836775 (CHEMBL2075300)	TP_TRANSPORTER: inhibition of Serotonin uptake in OCT2-expressing HEK293 cells
50042026	1	ChEMBL_836337 (CHEMBL2076501)	TP_TRANSPORTER: inhibition of uptake of 0.1 uM MPP+ in OCT1-expressing 293 cells
50042026	2	ChEMBL_839075 (CHEMBL2077746)	TP_TRANSPORTER: inhibition of uptake of 0.1 uM MPP+ in OCT1-expressing 293 cells
50042027	1	ChEMBL_836353 (CHEMBL2076517)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells
50042027	2	ChEMBL_836777 (CHEMBL2075302)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT2-expressing HEK293 cells
50042027	3	ChEMBL_838828 (CHEMBL2078182)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HEK293 cells
50042028	1	ChEMBL_837470 (CHEMBL2075864)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HEK293 cells
50042029	1	ChEMBL_838296 (CHEMBL2076244)	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes
50042030	1	ChEMBL_838252 (CHEMBL2076200)	TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes
50042031	1	ChEMBL_838969 (CHEMBL2078430)	TP_TRANSPORTER: inhibition of Taurocholate uptake in Oatp2-expressing LLC-PK1 cells
50042031	2	ChEMBL_838984 (CHEMBL2078501)	TP_TRANSPORTER: inhibition of Digoxin uptake in Oatp2-expressing LLC-PK1 cells
50042032	1	ChEMBL_837109 (CHEMBL2076361)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing LLC-PK1 cells
50042032	2	ChEMBL_836631 (CHEMBL2077473)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cells
50042032	3	ChEMBL_836429 (CHEMBL2076869)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oat3-expressing LLC-PK1 cells
50042032	4	ChEMBL_837482 (CHEMBL2075970)	TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells
50042033	1	ChEMBL_837070 (CHEMBL2076322)	TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in Caco-2 cells
50042034	1	ChEMBL_839177 (CHEMBL2077848)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP1-expressing HeLa cells
50042034	2	ChEMBL_836150 (CHEMBL2077586)	TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cells
50042034	3	ChEMBL_838239 (CHEMBL2075749)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
50042035	1	ChEMBL_837732 (CHEMBL2076987)	TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.4 uM) in membrane vesicles from MRP3-expressing HEK cells
50042036	1	ChEMBL_836111 (CHEMBL2077547)	TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT4-expressing S2 cells
50042037	1	ChEMBL_838497 (CHEMBL2078125)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cells
50042037	2	ChEMBL_837616 (CHEMBL2076416)	TP_TRANSPORTER: inhibition of Nelfinavir transepithelial transport (basal to apical) (Nelfinavir: 0.02 uM) in Caco-2 cells
50042037	3	ChEMBL_837272 (CHEMBL2075361)	TP_TRANSPORTER: inhibition of Indinavir transepithelial transport (basal to apical) (Indinavir: 0.05 uM) in Caco-2 cells
50042037	4	ChEMBL_837188 (CHEMBL2076732)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 5 uM) in Caco-2 cells
50042038	1	ChEMBL_836602 (CHEMBL2077343)	TP_TRANSPORTER: inhibition of Daunorubicin transport in G185 cells
50042039	1	ChEMBL_838266 (CHEMBL2076214)	TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells
50042039	2	ChEMBL_838719 (CHEMBL2078545)	TP_TRANSPORTER: inhibition of JC-1 efflux in NIH-3T3-G185 cells
50042039	3	ChEMBL_838265 (CHEMBL2076213)	TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells
50042039	4	ChEMBL_838721 (CHEMBL2078547)	TP_TRANSPORTER: inhibition of Calcein-AM efflux in NIH-3T3-G185 cells
50042039	5	ChEMBL_838718 (CHEMBL2078544)	TP_TRANSPORTER: inhibition of Tetramethylrosamine efflux in NIH-3T3-G185 cells
50042039	6	ChEMBL_838270 (CHEMBL2076218)	TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells
50042039	7	ChEMBL_838720 (CHEMBL2078546)	TP_TRANSPORTER: inhibition of Fluo-3-AM efflux in NIH-3T3-G185 cells
50042040	1	ChEMBL_836604 (CHEMBL2077345)	TP_TRANSPORTER: inhibition of Daunorubicin efflux (Daunorubicin:  uM) in G185 cells
50042041	1	ChEMBL_838278 (CHEMBL2076226)	TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP)
50042041	2	ChEMBL_838294 (CHEMBL2076242)	TP_TRANSPORTER: increase in bodipy intracellular accumulation (Bodipy: 0.2 uM) in SK-E2 cells (expressing BSEP)
50042042	1	ChEMBL_836475 (CHEMBL2077005)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
50042042	2	ChEMBL_837126 (CHEMBL2076527)	TP_TRANSPORTER: inhibition of LTC4 uptake (+3mM GSH) in membrane vesicle from MRP1-expressing HeLa cells
50042043	1	ChEMBL_837066 (CHEMBL2076318)	TP_TRANSPORTER: inhibition of Rhodamine 123 transepithelial transport (basal to apical) (Rhodamine 123: 5 uM) in Caco-2 cells
50042044	1	ChEMBL_837068 (CHEMBL2076320)	TP_TRANSPORTER: inhibition of Rhodamine 123 transepithelial transport (basal to apical) (R123: 5 uM) in Caco-2 cells
50042045	1	ChEMBL_836873 (CHEMBL2075511)	TP_TRANSPORTER: increase in Daunorubicn intracellular accumulation (Daunorubicin:  uM) in NIH-G185 cells
50042046	1	ChEMBL_837209 (CHEMBL2076753)	TP_TRANSPORTER: inhibition of DNR efflux (DNR:  uM) in MDR1-expressing NIH3T3 cells
50042047	1	ChEMBL_838292 (CHEMBL2076240)	TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells
50042048	1	ChEMBL_836603 (CHEMBL2077344)	TP_TRANSPORTER: inhibition of Daunorubicin transport in 3T3-G185 cells
50042048	2	ChEMBL_836600 (CHEMBL2077341)	TP_TRANSPORTER: inhibition of Rhodamine 123 transport in 3T3-G185 cells
50042049	1	ChEMBL_836970 (CHEMBL2075810)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50042050	1	ChEMBL_838515 (CHEMBL2078143)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cells
50042051	1	ChEMBL_836621 (CHEMBL2077362)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.2 uM) in OCT3-expressing HEK293 cells
50042052	1	ChEMBL_838495 (CHEMBL2076066)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cells
50042053	1	ChEMBL_838735 (CHEMBL2078561)	TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) in MRP2-expressing MDCK cells
50042054	1	ChEMBL_835977 (CHEMBL2077115)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-CEM cells
50042054	2	ChEMBL_836605 (CHEMBL2077346)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-P388 cells
50042055	1	ChEMBL_836947 (CHEMBL2075787)	TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in bile canalicular membranes from Wistar rat
50042055	2	ChEMBL_836806 (CHEMBL2075331)	TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in HepG2 cells
50042055	3	ChEMBL_837125 (CHEMBL2076526)	TP_TRANSPORTER: inhibition of LTC4 uptake (LTC4: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cells
50042056	1	ChEMBL_836946 (CHEMBL2075786)	TP_TRANSPORTER: inhibition of Naf-GlcA uptake (Naf-GlcA: 0.1 uM) in bile canalicular membrane vesicles of Wistar rat
50042057	1	ChEMBL_838238 (CHEMBL2075748)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
50042058	1	ChEMBL_836094 (CHEMBL2077530)	TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP5-expressing HEK293 cells
50042058	2	ChEMBL_835930 (CHEMBL2077068)	TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP4-expressing HEK293 cells
50042059	1	ChEMBL_836628 (CHEMBL2077470)	TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells
50042059	2	ChEMBL_836314 (CHEMBL2076478)	TP_TRANSPORTER: inhibition of Pravastatin uptake in Oat3-expressing LLC-PK1 cells
50042060	1	ChEMBL_838700 (CHEMBL2078482)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells
50042060	2	ChEMBL_839283 (CHEMBL2077954)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells
50042060	3	ChEMBL_838699 (CHEMBL2078481)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells
50042061	1	ChEMBL_838250 (CHEMBL2076198)	TP_TRANSPORTER: inhibition of DNP-SG uptake in membrane vesicles from GLC4/ADR cells
50042062	1	ChEMBL_837190 (CHEMBL2076734)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.1 uM) in MDR1-expressing LLC-PK1 cells
50042063	1	ChEMBL_836136 (CHEMBL2077572)	TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes
50042063	2	ChEMBL_836295 (CHEMBL2076308)	TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes
50042063	3	ChEMBL_839183 (CHEMBL2077854)	TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes
50042064	1	ChEMBL_836299 (CHEMBL2076312)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes
50042064	2	ChEMBL_837503 (CHEMBL2075991)	TP_TRANSPORTER: inhibition of Cimetidine uptake (Cimetidine: 1 uM) in Xenopus laevis oocytes
50042064	3	ChEMBL_837508 (CHEMBL2075996)	TP_TRANSPORTER: inhibition of Cimetidine uptake (Cimetidine: 1 uM) in Xenopus laevis oocytes
50042065	1	ChEMBL_835924 (CHEMBL2077062)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes
50042065	2	ChEMBL_835933 (CHEMBL2077071)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes
50042066	1	ChEMBL_836270 (CHEMBL2076283)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.025 uM) in MDR1-expressing LLC-PK1 cells
50042066	2	ChEMBL_836271 (CHEMBL2076284)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells
50042067	1	ChEMBL_835975 (CHEMBL2077113)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells
50042067	2	ChEMBL_836754 (CHEMBL2075176)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical), (-)-efonidipine (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells
50042067	3	ChEMBL_836755 (CHEMBL2075177)	TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical), (+)-efonidipine (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cells
50042068	1	ChEMBL_836797 (CHEMBL2075322)	TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells
50042068	2	ChEMBL_837082 (CHEMBL2076334)	TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells
50042068	3	ChEMBL_836787 (CHEMBL2075312)	TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells
50042069	1	ChEMBL_836948 (CHEMBL2075788)	TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD rat
50042069	2	ChEMBL_836174 (CHEMBL2075073)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50042070	1	ChEMBL_839175 (CHEMBL2077846)	TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells
50042070	2	ChEMBL_836530 (CHEMBL2077167)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing OK cells
50042071	1	ChEMBL_836109 (CHEMBL2077545)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes
50042071	2	ChEMBL_836965 (CHEMBL2075805)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytes
50042072	1	ChEMBL_836126 (CHEMBL2077562)	TP_TRANSPORTER: inhibition of E1S uptake in OAT3-expressing S2 cells
50042072	2	ChEMBL_836138 (CHEMBL2077574)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells
50042073	1	ChEMBL_838708 (CHEMBL2078490)	TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells
50042073	2	ChEMBL_838512 (CHEMBL2078140)	TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells
50042073	3	ChEMBL_838516 (CHEMBL2078144)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells
50042074	1	ChEMBL_838511 (CHEMBL2078139)	TP_TRANSPORTER: inhibition of MTX uptake in OAT3-expressing S2 cells
50042075	1	ChEMBL_836173 (CHEMBL2075072)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50042076	1	ChEMBL_838479 (CHEMBL2076050)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50042077	1	ChEMBL_836432 (CHEMBL2076872)	TP_TRANSPORTER: inhibition pramipexole uptake in rOCT2-injected oocytes
50042077	2	ChEMBL_836456 (CHEMBL2076896)	TP_TRANSPORTER: inhibition pramipexole uptake in rOCT1-injected oocytes
50042078	1	ChEMBL_838286 (CHEMBL2076234)	TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells
50042079	1	ChEMBL_836139 (CHEMBL2077575)	TP_TRANSPORTER: inhibition of PGF2alpha uptake in PGT-expressing HeLa cells
50042080	1	ChEMBL_837645 (CHEMBL2076598)	TP_TRANSPORTER: inhibition of Doxorubicin transepithelial transport (basal to apical) (Digoxin: 0.8 uM) in MDR1-expressing LLC-PK1 cells
50042080	2	ChEMBL_837643 (CHEMBL2076596)	TP_TRANSPORTER: inhibition of Doxorubicin transepithelial transport (basal to apical) (Doxorubicin: 0.8 uM) in MDR1-expressing LLC-PK1 cells
50042080	3	ChEMBL_837041 (CHEMBL2076126)	TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) (Vinblastine: 0.1 uM) in MDR1-expressing LLC-PK1 cells
50042081	1	ChEMBL_836091 (CHEMBL2077527)	TP_TRANSPORTER: transepithelial transport of fexofenadine in Caco-2 cells
50042082	1	ChEMBL_838528 (CHEMBL2078156)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing HEK-293 cells
50042082	2	ChEMBL_836095 (CHEMBL2077531)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing Sf9 cells
50042082	3	ChEMBL_835929 (CHEMBL2077067)	TP_TRANSPORTER: inhibition of DHEAS in membrane vesicles from MRP4-expressing Sf9 cells
50042083	1	ChEMBL_838298 (CHEMBL2076246)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes
50042083	2	ChEMBL_838297 (CHEMBL2076245)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes
50042083	3	ChEMBL_838771 (CHEMBL2078597)	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes
50042083	4	ChEMBL_838772 (CHEMBL2078598)	TP_TRANSPORTER: inhibition of TEA uptake (electrogenicity) in Xenopus laevis oocytes
50042084	1	ChEMBL_836762 (CHEMBL2075184)	TP_TRANSPORTER: inhibition of MTX uptake in membrane vesicle from BCRP-expressing Sf9 cell
50042085	1	ChEMBL_837283 (CHEMBL2075372)	TP_TRANSPORTER: increase in Rhodamine 123 intracellular accumulation in HL60/vinc cells
50042086	1	ChEMBL_836767 (CHEMBL2075189)	TP_TRANSPORTER: drug resistance(Imatinib mesylate) in BCRP-expressing SaoS2 cells
50042087	1	ChEMBL_838253 (CHEMBL2076201)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cells
50042087	2	ChEMBL_838254 (CHEMBL2076202)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cells
50042088	1	ChEMBL_841966 (CHEMBL2091383)	Inhibition of CDK2
50042089	1	ChEMBL_841972 (CHEMBL2091389)	Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay
50042089	2	ChEMBL_841977 (CHEMBL2091394)	Binding affinity to MDM2
50042090	1	ChEMBL_842102 (CHEMBL2091519)	Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter
50042090	2	ChEMBL_842116 (CHEMBL2091533)	Inhibition of CK1delta
50042090	3	ChEMBL_842117 (CHEMBL2091534)	Inhibition of CK1epsilon
50042091	1	ChEMBL_842142 (CHEMBL2091559)	Displacement of [125I][D-Trp6]GnRH1 from GnRH receptor expressed in human prostate cancer membrane by gamma counting
50042091	2	ChEMBL_842141 (CHEMBL2091558)	Displacement of [125I][D-Trp6]GnRH1 from GnRH receptor expressed in human pituitary membrane by gamma counting
50042092	1	ChEMBL_842533 (CHEMBL2092321)	Inhibition of CDK1/cyclin B
50042092	2	ChEMBL_842531 (CHEMBL2092319)	Inhibition of GSK3beta in human ReNcell VM cells after 3 hrs by immunoblotting technique
50042092	3	ChEMBL_842530 (CHEMBL2092318)	Inhibition of Chk2
50042093	1	ChEMBL_842566 (CHEMBL2092354)	Inhibition of Bacillus anthracis lethal factor using protease substrate-2 assessed as release of p-nitroaniline measured for 10 mins by spectrophotometric assay
50042094	1	ChEMBL_839592 (CHEMBL2090488)	Inhibition of human Pim2 using RSRHSSYPAGT as substrate
50042094	2	ChEMBL_839583 (CHEMBL2090479)	Inhibition of human Pim3 using RSRHSSYPAGT as substrate
50042094	3	ChEMBL_839582 (CHEMBL2090478)	Inhibition of human Pim1 using RSRHSSYPAGT as substrate
50042095	1	ChEMBL_839751 (CHEMBL2089673)	Inhibition of CK1 after 30 mins by liquid scintillation counter
50042095	2	ChEMBL_839631 (CHEMBL2090652)	Inhibition of human recombinant CDK5/p25 expressed in Escherichia coli
50042095	3	ChEMBL_839632 (CHEMBL2090653)	Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected insect cells
50042095	4	ChEMBL_839752 (CHEMBL2089674)	Inhibition of human recombinant DYRK1A expressed in Escherichia coli after 30 mins by liquid scintillation counter
50042095	5	ChEMBL_839753 (CHEMBL2089675)	Inhibition of mouse recombinant CLK1 expressed in Escherichia coli after 30 mins by liquid scintillation counter
50042095	6	ChEMBL_839755 (CHEMBL2089677)	Inhibition of CYP1A2
50042095	7	ChEMBL_839756 (CHEMBL2089678)	Inhibition of CYP2C19
50042095	8	ChEMBL_839757 (CHEMBL2089679)	Inhibition of CYP2C9
50042095	9	ChEMBL_839758 (CHEMBL2089680)	Inhibition of CYP2D6
50042095	10	ChEMBL_839759 (CHEMBL2089681)	Inhibition of CYP3A4
50042096	1	ChEMBL_839770 (CHEMBL2089692)	Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay
50042096	2	ChEMBL_839771 (CHEMBL2089693)	Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA
50042096	3	ChEMBL_839773 (CHEMBL2089695)	Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay
50042097	1	ChEMBL_839975 (CHEMBL2090371)	Inhibition of PI3K beta in human PTEN-deficient MDA-MB-468 cells assessed as inhibition of Akt Ser473 phosphorylation
50042097	2	ChEMBL_839974 (CHEMBL2090370)	Inhibition of PI3K gamma by continuous TR-FRET assay
50042097	3	ChEMBL_839973 (CHEMBL2090369)	Inhibition of PI3K delta by continuous TR-FRET assay
50042097	4	ChEMBL_839972 (CHEMBL2090368)	Inhibition of PI3K beta by continuous TR-FRET assay
50042097	5	ChEMBL_839971 (CHEMBL2090266)	Inhibition of PI3K alpha by continuous TR-FRET assay
50042098	1	ChEMBL_840130 (CHEMBL2090833)	Tight binding inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior to substrate addition measured for 30 mins by fluorimetric analysis
50042098	2	ChEMBL_840131 (CHEMBL2090834)	Mixed inhibition of human matriptase expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate by fluorimetric analysis
50042098	3	ChEMBL_840132 (CHEMBL2090835)	Tight binding inhibition of human matriptase2 expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior to substrate addition measured for 30 mins by fluorimetric analysis
50042098	4	ChEMBL_840133 (CHEMBL2090836)	Tight binding inhibition of human hepsin expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior to substrate addition measured for 30 mins by fluorimetric analysis
50042098	5	ChEMBL_840134 (CHEMBL2090837)	Tight binding inhibition of human TMPRSS11D expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate incubated for 15 mins prior to substrate addition measured for 30 mins by fluorimetric analysis
50042098	6	ChEMBL_840136 (CHEMBL2090839)	Mixed inhibition of human thrombin expressed in Drosophila melanogaster S2 cells using Boc-QAR-AMC as substrate by fluorimetric analysis
50042099	1	ChEMBL_840300 (CHEMBL2091208)	Inhibition of human ERG expressed in HEK293 cells after 240 secs by patch clamp assay
50042099	2	ChEMBL_840305 (CHEMBL2091262)	Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor microphysiometric analysis
50042099	3	ChEMBL_840144 (CHEMBL2090847)	Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting
50001659	1	ChEMBL_1731395 (CHEMBL4146931)	Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based topcount assay
50042099	7	ChEMBL_840143 (CHEMBL2090846)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins
50042100	1	ChEMBL_840308 (CHEMBL2091265)	Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectrophotometry
50042101	1	ChEMBL_840310 (CHEMBL2091267)	Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting
50042101	2	ChEMBL_840312 (CHEMBL2091269)	Inverse agonist activity at rat mGluR5 expressed in HEK293A cells coexpressing Gqalpha assessed as inhibition of quisqualic-induced D-myo-inositol 1 production by ELISA
50042103	1	ChEMBL_840521 (CHEMBL2089872)	Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay
50042103	2	ChEMBL_840522 (CHEMBL2089873)	Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA
50042103	3	ChEMBL_840523 (CHEMBL2089988)	Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting
50042104	1	ChEMBL_840713 (CHEMBL2090455)	Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay
50042105	1	ChEMBL_840734 (CHEMBL2090573)	Displacement of [3H]PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50042105	2	ChEMBL_840841 (CHEMBL2090624)	Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting
50042105	3	ChEMBL_840838 (CHEMBL2090621)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting
50042106	1	ChEMBL_841030 (CHEMBL2091156)	Inhibition of human recombinant TG2 by fluorescent transamidation assay
50042106	2	ChEMBL_841034 (CHEMBL2091160)	Inhibition of thrombin activated human F13a by fluorescent transamidation assay
50042106	3	ChEMBL_841042 (CHEMBL2091168)	Inhibition of human TG2 in HEK cells by fluorescent transamidation assay
50042106	4	ChEMBL_841040 (CHEMBL2091166)	Inhibition of human recombinant TG6 by fluorescent transamidation assay
50042106	5	ChEMBL_841041 (CHEMBL2091167)	Inhibition of mouse recombinant TG2 by fluorescent transamidation assay
50042106	6	ChEMBL_841029 (CHEMBL2091155)	Inhibition of caspase3
50042106	7	ChEMBL_841032 (CHEMBL2091158)	Inhibition of human recombinant TG1 by fluorescent transamidation assay
50042106	8	ChEMBL_841033 (CHEMBL2091159)	Inhibition of thrombin activated human TG3 by fluorescent transamidation assay
50042107	1	ChEMBL_841247 (CHEMBL2089650)	Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET assay
50042107	2	ChEMBL_841250 (CHEMBL2089653)	Displacement of fluorescent labelled SRC1-4 from dexamethasone-GR complex after 2 to 4 hrs by TR-FRET assay
50042107	3	ChEMBL_841251 (CHEMBL2089654)	Displacement of fluorescent labelled PGC-1alpha from estradiol-ERalpha complex after 2 to 4 hrs by TR-FRET assay
50042107	4	ChEMBL_841252 (CHEMBL2089655)	Displacement of fluorescent labelled PGC-1alpha from estradiol-ERbeta complex after 2 to 4 hrs by TR-FRET assay
50042107	5	ChEMBL_841253 (CHEMBL2089656)	Antagonist activity at PR assessed as inhibition of progesterone-induced fluorescent labelled SRC1-4 recruitment after 2 to 4 hrs by TR-FRET assay
50042108	1	ChEMBL_841711 (CHEMBL2092254)	Competitive inhibition of GST fused human CK2alpha' expressed in Escherichia coli BL21 after 10 mins in presence of ATP
50042108	2	ChEMBL_841710 (CHEMBL2092253)	Competitive inhibition of GST fused human CK2alpha expressed in Escherichia coli BL21 after 10 mins in presence of ATP
50042109	1	ChEMBL_841721 (CHEMBL2092264)	Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter
50042109	2	ChEMBL_842046 (CHEMBL2091463)	Binding affinity to B2 receptor
50042109	3	ChEMBL_842045 (CHEMBL2091462)	Binding affinity to B1 receptor
50042110	1	ChEMBL_842058 (CHEMBL2091475)	Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec for 1 min followed by every 3 secs for 3 mins by FLIPR assay
50042110	2	ChEMBL_842160 (CHEMBL2091623)	Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measured every 1 sec for 1 min followed by every 3 secs for 3 mins by FLIPR assay
50042110	3	ChEMBL_842167 (CHEMBL2091630)	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in GH4C1 cells after 1 hr by TopCount method
50042110	4	ChEMBL_842168 (CHEMBL2091631)	Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by whole cell patch clamp assay
50042110	5	ChEMBL_842169 (CHEMBL2091632)	Agonist activity at human alpha7 nAChR expressed in CHO cells by whole cell patch clamp assay
50042110	6	ChEMBL_842172 (CHEMBL2091635)	Inhibition of human ERG expressed in CHO cells by IonWorks assay
50042110	7	ChEMBL_842055 (CHEMBL2091472)	Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for 10 mins by FLIPR assay
50042111	1	ChEMBL_842192 (CHEMBL2091655)	Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC substrate incubated or 30 mins by fluorescence based assay
50042112	1	ChEMBL_842223 (CHEMBL2091728)	Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels
50042112	2	ChEMBL_842221 (CHEMBL2091726)	Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ levels
50042112	3	ChEMBL_842366 (CHEMBL2091983)	Activation of human TRPA1 assessed as stimulation of intracellular Ca2+ levels
50042112	4	ChEMBL_842362 (CHEMBL2091979)	Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM menthol-stimulated increase in intracellular Ca2+ levels
50042112	5	ChEMBL_842361 (CHEMBL2091978)	Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 uM icilin-stimulated increase in intracellular Ca2+ levels
50042112	6	ChEMBL_842220 (CHEMBL2091725)	Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels
50042113	1	ChEMBL_842368 (CHEMBL2091985)	Inhibition of caspase3
50042114	1	ChEMBL_842390 (CHEMBL2092007)	Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay
50042114	2	ChEMBL_842369 (CHEMBL2091986)	Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method
50042114	3	ChEMBL_842395 (CHEMBL2092012)	Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method
50042115	1	ChEMBL_842409 (CHEMBL2092082)	Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay
50042115	2	ChEMBL_842408 (CHEMBL2092081)	Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot
50042115	3	ChEMBL_842419 (CHEMBL2092092)	Inhibition of mTOR
50042115	4	ChEMBL_842418 (CHEMBL2092091)	Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay
50042115	5	ChEMBL_842420 (CHEMBL2092093)	Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay
50042116	1	ChEMBL_842638 (CHEMBL2092476)	Inhibition of c-Raf
50042116	2	ChEMBL_842639 (CHEMBL2092477)	Inhibition of RET
50042116	3	ChEMBL_842608 (CHEMBL2092446)	Inhibition of p38alpha
50042117	1	ChEMBL_839676 (CHEMBL2090790)	Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay
50042118	1	ChEMBL_839812 (CHEMBL2089823)	Displacement of [3H]diprenorphine from human cloned mu type opioid receptor expressed in CHO cell membranes by scintillation counter
50042118	2	ChEMBL_839811 (CHEMBL2089822)	Displacement of [3H]diprenorphine from human cloned kappa type opioid receptor expressed in CHO cell membranes by scintillation counter
50001659	2	ChEMBL_1731393 (CHEMBL4146929)	Agonist activity at human NMUR1 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based topcount assay
50042118	4	ChEMBL_839690 (CHEMBL2090804)	Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay
50042118	5	ChEMBL_839690 (CHEMBL2090804)	Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay
50042119	1	ChEMBL_839815 (CHEMBL2089826)	Agonist activity at human GPR119 receptor over expressed in HEK293S cells assessed as increase in cAMP level after 45 mins by HTRF assay
50042119	2	ChEMBL_839817 (CHEMBL2089828)	Agonist activity at mouse GPR119 receptor assessed as increase in cAMP level after 45 mins by HTRF assay
50042119	3	ChEMBL_839825 (CHEMBL2089926)	Inhibition of CYP3A4 by high-throughput fluorescence assay
50042119	4	ChEMBL_839824 (CHEMBL2089925)	Inhibition of CYP2D6 by high-throughput fluorescence assay
50042119	5	ChEMBL_839823 (CHEMBL2089924)	Inhibition of CYP2C19 by high-throughput fluorescence assay
50042119	6	ChEMBL_839822 (CHEMBL2089923)	Inhibition of CYP2C9 by high-throughput fluorescence assay
50042119	7	ChEMBL_839821 (CHEMBL2089922)	Inhibition of CYP1A2 by high-throughput fluorescence assay
50042119	8	ChEMBL_839832 (CHEMBL2089933)	Inhibition of human hERG
50042120	1	ChEMBL_840019 (CHEMBL2090509)	Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells
50042120	2	ChEMBL_840018 (CHEMBL2090508)	Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells
50042121	1	ChEMBL_840210 (CHEMBL2091029)	Binding affinity to human [15N]-labelled Galectin-1 by heteronuclear NMR spectroscopy analysis
50042122	1	ChEMBL_840353 (CHEMBL2089417)	Antagonist activity at human CRF1 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation
50042122	2	ChEMBL_840349 (CHEMBL2089413)	Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter
50042122	3	ChEMBL_840350 (CHEMBL2089414)	Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluorescence analysis
50042122	4	ChEMBL_840354 (CHEMBL2089418)	Antagonist activity at human CRF2 receptor expressed in IMR32 cells assessed as inhibition of CRF-stimulated cAMP accumulation
50042122	5	ChEMBL_840366 (CHEMBL2089430)	Inhibition of human ERG channel
50042123	1	ChEMBL_840549 (CHEMBL2090014)	Inhibition of recombinant N terminal His6-tagged human IGF1R (959 to end) expressed in baculovirus infected Sf21 cells after 80 mins by caliper mobility shift assay
50042123	2	ChEMBL_840550 (CHEMBL2090015)	Inhibition of human FGFR1 phosphorylation expressed in COS1 cells after 1 hr by immunoblotting
50042123	3	ChEMBL_840551 (CHEMBL2090016)	Inhibition of human KDR phosphorylation expressed in VEGF-stimulated HUVEC treated 90 mins before VEGF stimulation measured after 5 mins by ELISA
50042123	4	ChEMBL_840552 (CHEMBL2090017)	Inhibition of human IGF1R phosphorylation expressed in IGF-1-stimulated knockout mouse R+ cells treated 30 mins before IGF-1 stimulation measured after 20 mins by immunoblotting
50042123	5	ChEMBL_840553 (CHEMBL2090018)	Inhibition of human INSR phosphorylation over expressed in CHOT cells after 60 mins by immunoblotting
50042123	6	ChEMBL_840555 (CHEMBL2090020)	Inhibition of INSR
50042123	7	ChEMBL_840548 (CHEMBL2090013)	Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility shift assay
50042123	8	ChEMBL_840547 (CHEMBL2090012)	Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobility shift assay
50042123	9	ChEMBL_840554 (CHEMBL2090019)	Inhibition of MEK1 fused with GST by autoradiography
50042124	1	ChEMBL_840935 (CHEMBL2090973)	Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50042124	2	ChEMBL_840936 (CHEMBL2090974)	Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometry
50042124	3	ChEMBL_840937 (CHEMBL2090975)	Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
50042124	4	ChEMBL_840938 (CHEMBL2090976)	Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate after 20 mins by horseradish peroxidase-coupled assay
50042125	1	ChEMBL_841300 (CHEMBL2090041)	Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay
50042125	2	ChEMBL_841301 (CHEMBL2090042)	Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay
50042125	3	ChEMBL_841359 (CHEMBL2089886)	Inhibition of Flt4
50042125	4	ChEMBL_841360 (CHEMBL2089887)	Inhibition of PDGFRbeta
50042125	5	ChEMBL_841361 (CHEMBL2089888)	Inhibition of c-KIT
50042125	6	ChEMBL_841362 (CHEMBL2089889)	Inhibition of Flt3
50042125	7	ChEMBL_841363 (CHEMBL2089890)	Inhibition of EGFR
50042125	8	ChEMBL_841364 (CHEMBL2089891)	Inhibition of EphB4
50042125	9	ChEMBL_841523 (CHEMBL2091829)	Inhibition of EphA2
50042125	10	ChEMBL_841524 (CHEMBL2091830)	Inhibition of IGF1R
50042125	11	ChEMBL_841525 (CHEMBL2091831)	Inhibition of IRK
50042125	12	ChEMBL_841526 (CHEMBL2091832)	Inhibition of SRC
50042125	13	ChEMBL_841528 (CHEMBL2091834)	Inhibition of MAP4K3
50042125	14	ChEMBL_841529 (CHEMBL2091835)	Inhibition of RSK2
50042125	15	ChEMBL_841530 (CHEMBL2091836)	Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay
50042125	16	ChEMBL_841304 (CHEMBL2090045)	Inhibition of FGFR1 in human SK-N-MC cells assessed as inhibition of FGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation measured after 30 mins by ELISA
50042125	17	ChEMBL_841307 (CHEMBL2090048)	Inhibition of CYP3A4
50042125	18	ChEMBL_841532 (CHEMBL2091838)	Binding affinity to human ERG
50042125	19	ChEMBL_841302 (CHEMBL2090043)	Inhibition of N-terminal GST-tagged PDGFRalpha after 2 hrs by luciferase-luciferin coupled chemiluminescence assay
50042125	20	ChEMBL_841303 (CHEMBL2090044)	Inhibition of KDR in human HUVEC cells assessed as inhibition of VEGF-induced ERK phosphorylation incubated for 1 hr prior to VEGF-stimulation measured after 5 mins by ELISA
50042126	1	ChEMBL_842441 (CHEMBL2092114)	Inhibition of recombinant human IDO expressed in Escherichia coli using L-tryptophan as substrate after 60 mins by spectrophotometry
50042127	1	ChEMBL_842443 (CHEMBL2092116)	Inhibition of Helicobacter pylori J99 glutamate racemase
50042128	1	ChEMBL_842483 (CHEMBL2092208)	Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prior to substrate addition measured after 20 mins by liquid scintillation counting
50042128	2	ChEMBL_842486 (CHEMBL2092211)	Inhibition of human FPPS using GPP and [3H]IPP as substrate by scintillation counting
50042128	3	ChEMBL_842487 (CHEMBL2092212)	Inhibition of human recombinant GGPS using [14C]-IPP as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by scintillation counting
50042129	1	ChEMBL_842489 (CHEMBL2092214)	Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting
50042130	1	ChEMBL_839529 (CHEMBL2090336)	Inhibition of mouse p38apha assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
50042130	2	ChEMBL_839530 (CHEMBL2090337)	Inhibition of mouse p38beta assessed as reduction in GST-ATF2 substrate phosphorylation by SPA assay
50042130	3	ChEMBL_839534 (CHEMBL2090341)	Activation of PXR
50042131	1	ChEMBL_839550 (CHEMBL2090357)	Inhibition of bovine milk XO assessed as decrease in uric acid formation after 5 mins by UV-spectrophotometric analysis
50042131	2	ChEMBL_839551 (CHEMBL2090358)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 5 mins by UV-spectrophotometric analysis
50042131	3	ChEMBL_839552 (CHEMBL2090359)	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by Lineweaver-Burk plot analysis
50042131	4	ChEMBL_839553 (CHEMBL2090360)	Inhibition of mushroom tyrosinase using L-DOPA as substrate after 5 mins by UV-spectrophotometric analysis
50042132	1	ChEMBL_839560 (CHEMBL2090367)	Agonist activity at human GFP-tagged P2Y2 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based fluorescence spectrophotometry
50042132	2	ChEMBL_839561 (CHEMBL2090457)	Agonist activity at human GFP-tagged P2Y4 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based fluorescence spectrophotometry
50042132	3	ChEMBL_839562 (CHEMBL2090458)	Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based fluorescence spectrophotometry
50042132	4	ChEMBL_839559 (CHEMBL2090366)	Agonist activity at human P2Y6 receptor
50042132	5	ChEMBL_839558 (CHEMBL2090365)	Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as inositol phosphate accumulation
50042133	1	ChEMBL_839692 (CHEMBL2089519)	Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay
50042134	1	ChEMBL_839703 (CHEMBL2089530)	Binding affinity to His6-tagged HRas expressed in Escherichia coli (BL21) by fluorescence polarization assay
50042134	2	ChEMBL_839704 (CHEMBL2089531)	Binding affinity to His6-tagged HRas-GDP expressed in Escherichia coli (BL21) by fluorescence polarization assay
50042134	3	ChEMBL_839705 (CHEMBL2089532)	Inhibition to His6-tagged Sos1 catalytic domain-mediated nucleotide exchange by fluorimetric assay
50042134	4	ChEMBL_839699 (CHEMBL2089526)	Inhibition of N-Ras expressed in Escherichia coli using [3H]GDP and [3H]GTP assessed as inhibition of intrinsic nucleotide exchange by scintillation counting
50042135	1	ChEMBL_839706 (CHEMBL2089533)	Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter gene assay
50042136	1	ChEMBL_839719 (CHEMBL2089546)	Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in baculovirus infected Sf9 cells after overnight incubation by scintillation counting
50042136	2	ChEMBL_839720 (CHEMBL2089547)	Antagonist activity at human glucocorticoid receptor expressed in GRAF cells assessed as inhibition of dexamethasone-induced alkaline phosphatase expression after 48 hrs by reporter gene assay
50042136	3	ChEMBL_839721 (CHEMBL2089548)	Antagonist activity at glucocorticoid receptor in rat hepatocytes assessed as inhibition of dexamethasone-induced trypsine aminotransferase expression incubated for 30 mins prior to dexamethasone-induction measured after 4 hrs by reporter gene assay
50042136	4	ChEMBL_839889 (CHEMBL2090090)	Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in baculovirus infected Sf9 cells after 16-18 hrs by beta counting
50042136	5	ChEMBL_839890 (CHEMBL2090091)	Antagonist activity at human glucocorticoid receptor expressed in CHOK1 cells assessed as inhibition of dexamethasone-induced alkaline phosphatase expression after 46 hrs by reporter gene assay
50042136	6	ChEMBL_839891 (CHEMBL2090092)	Antagonist activity at glucocorticoid receptor in rat H4IIE cells assessed as inhibition of dexamethasone-induced trypsine aminotransferase expression after 24 hrs by reporter gene assay
50042137	1	ChEMBL_839906 (CHEMBL2090107)	Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis
50042137	2	ChEMBL_839907 (CHEMBL2090108)	Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis
50042137	3	ChEMBL_839908 (CHEMBL2090109)	Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis
50042137	4	ChEMBL_839905 (CHEMBL2090106)	Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis
50042138	1	ChEMBL_839928 (CHEMBL2090129)	Inhibition of CYP3A4
50042138	2	ChEMBL_839929 (CHEMBL2090130)	Inhibition of CYP2D6
50042139	1	ChEMBL_840086 (CHEMBL2090690)	Inhibition of human recombinant His6-tagged DDAH1 expressed in Escherichia coli BL21(DE3) using Nomega,Nomega-dimethyl-L-arginine as substrate after 80 mins by colorimetric ureido derivitization assay
50042139	2	ChEMBL_840087 (CHEMBL2090691)	Competitive inhibition of human recombinant His6-tagged DDAH1 expressed in Escherichia coli BL21(DE3) using Nomega,Nomega-dimethyl-L-arginine as substrate after 80 mins by double-reciprocal plot analysis
50042140	1	ChEMBL_840092 (CHEMBL2090696)	Inhibition of Trypanosoma brucei CatB
50042141	1	ChEMBL_840100 (CHEMBL2090704)	Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs
50042141	2	ChEMBL_840106 (CHEMBL2090809)	Inhibition of LCK
50042141	3	ChEMBL_840107 (CHEMBL2090810)	Inhibition of JAK3
50042141	4	ChEMBL_840108 (CHEMBL2090811)	Inhibition of KDR
50042141	5	ChEMBL_840109 (CHEMBL2090812)	Inhibition of TIE2
50042141	6	ChEMBL_840099 (CHEMBL2090703)	Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by ELISA
50042141	7	ChEMBL_840096 (CHEMBL2090700)	Inhibition of ACK1
50042142	1	ChEMBL_840112 (CHEMBL2090815)	Binding affinity to VEGF by surface plasmon resonance-based solution affinity assay
50042142	2	ChEMBL_840111 (CHEMBL2090814)	Binding affinity to FGF2 by surface plasmon resonance-based solution affinity assay
50042142	3	ChEMBL_840110 (CHEMBL2090813)	Binding affinity to FGF1 by surface plasmon resonance-based solution affinity assay
50042143	1	ChEMBL_841371 (CHEMBL2089898)	Inhibition of Mer
50042143	2	ChEMBL_841372 (CHEMBL2089899)	Inhibition of Tyro3
50042143	3	ChEMBL_841373 (CHEMBL2089900)	Inhibition of Axl
50042144	2	ChEMBL_841416 (CHEMBL2091585)	Binding affinity to human beta1-adrenoceptor by radioligand binding assay
50042144	3	ChEMBL_841418 (CHEMBL2091587)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay
50042144	4	ChEMBL_841421 (CHEMBL2091590)	Agonist activity at beta2-adrenoceptor in guinea-pig tracheal-strip assessed as inhibition of electrically-stimulated muscle contraction
50042145	1	ChEMBL_840421 (CHEMBL2089598)	Inhibition of HDAC1 by fluorometric assay
50040231	2	ChEMBL_840612 (CHEMBL2090178)	Agonist activity at 5HT4 receptor in guinea pig colonic longitudinal muscle/myenteric plexus assessed as contraction
50040981	3	ChEMBL_212942 (CHEMBL816758)	In vitro TXA2 synthase antagonism through inhibition of collagen induced thromboxane-A2 production in human citreated whole blood
50040982	3	ChEBML_213088	In vitro inhibition of collagen-induced thromboxane A2 production in human whole blood
50034701	3	ChEBML_196193	Inhibitory constant was determined in an HIV-1 reverse transcriptase assay in which the [3H]dTTP concentration was varied (i.e. 40, 20, 10, 6, and 4 uM
50042146	1	ChEBML_84246	Inhibition of specific binding of [3H]mepyramine to Histamine 1 receptors in guinea-pig
50028893	1	ChEBML_69135	Compound was tested for inhibitory activity against fucosyltransferase
50042147	1	ChEMBL_139095 (CHEMBL857187)	Evaluated for inhibition of binding of [3H]pirenzepine to homogenized rat cerebral cortex membranes
50029149	2	ChEBML_144293	Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)
50042148	1	ChEBML_1963	Compound was tested for the displacement of [3H]-5-HT to 5-hydroxytryptamine 1D receptor recognition sites in pig caudate membranes
50040991	1	ChEBML_49433	Compound was evaluated for the binding affinity towards Escherichia coli chorismate synthase
50042149	1	ChEMBL_201057 (CHEMBL805833)	In Vitro Binding affinity againist 5-HT2A receptor by displacing [3H]-DOB from rat cortex homogenates
50042149	2	ChEMBL_201029 (CHEMBL873463)	In Vitro Binding affinity againist 5-HT1A receptor by displacing [3H]8-OH-DPAT from pig cortex
50042149	3	ChEMBL_3410 (CHEMBL620724)	In Vitro Binding affinity againist 5-hydroxytryptamine 3 receptor by displacing [3H]-Q-ICS 205-930 from rat cortex homogenates
50042149	4	ChEMBL_2800 (CHEMBL857072)	In Vitro Binding affinity againist 5-hydroxytryptamine 2C receptor by displacing [3H]mesulergine from pig cortex
50042149	5	ChEMBL_1967 (CHEMBL617572)	In Vitro Binding affinity againist 5-hydroxytryptamine 1D receptor by displacing [125I]GTI from pig caudate
50001659	3	ChEMBL_1731400 (CHEMBL4146936)	Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting
50040998	2	ChEBML_85683	Affinity to the Histamine H2 receptor was determined expressed in CHO cell using [125I]iodoaminopotentidine as radioligand
50001659	4	ChEMBL_1731399 (CHEMBL4146935)	Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting
50042154	1	ChEBML_201061	Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation (LMMP)
50042156	1	ChEBML_3050	Binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]N-methyl-mesulergine
50042156	2	ChEBML_61140	Binding affinity towards Dopamine receptor D2 by displacement of [3H]-Raclopride.
50042156	3	ChEBML_2462	Binding affinity towards 5-hydroxytryptamine 2A receptor by displacement of [3H]ketanserin
50042156	4	ChEMBL_3049 (CHEMBL620667)	Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 2C receptor by displacement of [3H]-Ketanserin
50042156	5	ChEBML_1555	Binding affinity towards 5-hydroxytryptamine 1A receptor by displacement of [3H]8-OH-DPAT.
50042156	6	ChEBML_1832	Binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]5-HT.
50042156	7	ChEMBL_58975 (CHEMBL668640)	Compound was evaluated for the binding affinity towards Dopamine receptor D1 by displacement of [3H]raclopride.
50042156	9	ChEMBL_1833 (CHEMBL616804)	Compound was evaluated for the binding affinity towards 5-hydroxytryptamine 1B receptor by displacement of [3H]ketanserin.
50042156	10	ChEMBL_61141 (CHEMBL670678)	Compound was evaluated for the binding affinity towards Dopamine receptor D2 by displacement of [3H]SCH-23390.
50042156	11	ChEBML_58974	Compound was evaluated for the Dopamine receptor D1 by displacement of [3H]SCH-23390.
50029764	1	ChEBML_199694	In vitro ability to inhibit the adhesion of HL-60 cells to purified recombinant human Selectin E
50034860	5	ChEMBL_65086 (CHEMBL673143)	Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli.
50042157	1	ChEBML_48421	Evaluated for Cholecystokinin type B receptor antagonistic activity in which 20 pM [125I]BH-CCK-8S was used to label CCKB/gastrin binding sites in mouse cortical homogenates
50042158	1	ChEBML_65662	In vitro binding was measured by the displacement of [125I]ET1 from membranes prepared from MEL cells transfected with cloned human ETA receptors
50034886	1	ChEBML_35871	In vitro binding affinity against antithrombin III (AT III) was determined by fluorescence spectroscopy
50001660	1	ChEMBL_1731440 (CHEMBL4146976)	Antagonist activity at human GnRH receptor expressed in HEK293 cells co-expressing pGL4-NFATpromoter AP-1-luc assessed as inhibition of GnRH-induced NFAT promoter activation preincubated for 1 hr followed by GnRH addition measured after 6 hrs by luciferase reporter gene assay
50001660	2	ChEMBL_1731439 (CHEMBL4146975)	Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cells after 1 hr by microbeta scintillation counting method
50042161	1	ChEBML_66424	The inhibitory activity by using FK506 binding protein 12 SPA binding assay
50042162	1	ChEBML_91954	In vitro inhibition of Janus kinase 3.
50042162	2	ChEBML_91947	Inhibition of Janus kinase 1
50042162	3	ChEBML_67204	Inhibition of Epidermal growth factor receptor
50001660	3	ChEMBL_1731444 (CHEMBL4146980)	Displacement of [125I]D-Trp6-LHRH from monkey GnRH receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting method
50001660	4	ChEMBL_1731445 (CHEMBL4146981)	Antagonist activity at rat GnRH receptor expressed in HEK293 cells co-expressing pGL4-NFATpromoter AP-1-luc assessed as inhibition of GnRH-induced NFAT promoter activation preincubated for 1 hr followed by GnRH addition measured after 6 hrs by luciferase reporter gene assay
50001663	1	ChEMBL_1731826 (CHEMBL4147362)	Competitive inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia coli BL21(DE3) in presence of [methyl-3H]SAM
50001663	2	ChEMBL_1731828 (CHEMBL4147364)	Non-competitive inhibition of bacterial C-terminal His6-tagged ErmC' (unknown origin) expressed in Escherichia coli BL21(DE3) in presence of [methyl-3H]SAM
50001663	3	ChEMBL_1731831 (CHEMBL4147367)	Inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia coli BL21(DE3) assessed as decrease of protein binding to [gamma-33P]ATP-labeled 32-nt oligonucleotide after 30 mins by filter binding assay
50001663	4	ChEMBL_1731832 (CHEMBL4147368)	Inhibition of bacterial C-terminal His6-tagged ErmC' expressed in Escherichia coli ER2566 assessed as decrease in rRNA methylation using [methyl-3H]AdoMet measured after 1 hr
50001663	5	ChEBML_1731833	Inhibition of Staphylococcus aureus ErmC' expressed in Bacillus subtilis BD170 assessed as decrease in rRNA methylation using [methyl-3H]AdoMet measured after 120 mins by beta-plate counting method
50001663	6	ChEBML_1731828	Non-competitive inhibition of bacterial C-terminal His6-tagged ErmC' (unknown origin) expressed in Escherichia coli BL21(DE3) in presence of [methyl-3H]SAM
50001662	2	ChEMBL_1731512 (CHEMBL4147048)	Agonist activity at mouse PPARgamma expressed in 293T cells by dual luciferase reporter gene assay
50001665	1	ChEMBL_1731557 (CHEMBL4147093)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by Amplex red reagent-based fluorimetric method
50001665	2	ChEMBL_1731556 (CHEMBL4147092)	Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by Amplex red reagent-based fluorimetric method
50001665	3	ChEMBL_1731555 (CHEMBL4147091)	Competitive inhibition of recombinant human MAO-B using farnesylamine as substrate by horseradish peroxidase-Amplex red-coupled assay
50001666	1	ChEMBL_1731581 (CHEMBL4147117)	Binding affinity to recombinant human sRANKL expressed in Escherichia coli by SPR assay
50001667	1	ChEMBL_1731597 (CHEMBL4147133)	Inhibition of IKKbeta (unknown origin) using FAM-P22 as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by mobility shift assay
50001668	1	ChEMBL_1731659 (CHEMBL4147195)	Inhibition of CE1 in human liver microsomes using D-Luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by luminescence assay
50001668	2	ChEMBL_1731660 (CHEMBL4147196)	Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by luminescence assay
50001668	3	ChEMBL_1731664 (CHEMBL4147200)	Competitive inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50001669	1	ChEMBL_1731684 (CHEMBL4147220)	Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 using poly (rA)/anoligo (dT)16 as template/primer assessed as inhibition of biotin-dUTP incorporation after 40 mins by Pico-Green staining based fluorescence assay
50001670	1	ChEMBL_1731689 (CHEMBL4147225)	Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate after 8 mins by Ellman's method
50001670	2	ChEMBL_1731688 (CHEMBL4147224)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 10 mins by Ellman's method
50001670	3	ChEMBL_1731707 (CHEMBL4147243)	Inhibition of bovine testes hyaluronidase using hyaluronic acid as substrate preincubated for 10 mins in dark followed by incubation with substrate for 45 mins and subsequent addition of serum albumin measured after 10 mins by turbidimetric method
50001671	1	ChEMBL_1731712 (CHEMBL4147248)	Inhibition of AURKB (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by caliper assay
50035153	19	ChEMBL_32375 (CHEMBL649015)	Inhibitory activity towards Alpha-mannosidase from Almond
50011261	3	ChEBML_213298	Compound was tested for microPa) Urokinase-type plasminogen activator from human urine
50011261	2	ChEBML_105805	Compound was tested for inhibition of Matriptase from human breast cancer cells
50011261	5	ChEBML_210589	Compound was tested for inhibition of bovine Thrombin
50001671	2	ChEMBL_1731711 (CHEMBL4147247)	Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by caliper assay
50001672	1	ChEMBL_1731751 (CHEMBL4147287)	Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method
50042168	1	ChEBML_32585	Concentration required for 50% inhibition of binding against human Alpha-1D adrenergic receptor
50042168	2	ChEBML_33872	Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human
50042168	3	ChEBML_34483	Concentration required for 50% inhibition of binding against human Alpha-1B adrenergic receptor
50001672	2	ChEMBL_1731752 (CHEMBL4147288)	Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method
50001672	3	ChEMBL_1731763 (CHEMBL4147299)	Neutral antagonist activity at human CB2 assessed as inhibition of WIN552122-induced suppression of cAMP formation preincubated for 15 mins followed by forskolin addition for 30 mins measured after 1 hr by HTRF assay
50001672	4	ChEMBL_1731764 (CHEMBL4147300)	Neutral antagonist activity at human CB2 assessed as restoration of forskolin-induced cAMP formation preincubated for 15 mins followed by forskolin addition for 30 mins measured after 1 hr by HTRF assay
50001663	8	ChEMBL_1731823 (CHEMBL4147359)	Inhibition of bacterial C-terminal His6-tagged ErmC' (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as decrease in rRNA methylation using [methyl-3H]AdoMet measured after 1 hr
50001663	7	ChEMBL_1731834 (CHEMBL4147370)	Inhibition of bacterial ErmC' assessed as decrease in rRNA methylation preincubated for 15 mins followed by S-adenosyl-L-[methyl3H]methionine addition measured after 2 hrs by scintillation counting method
50001673	1	ChEBML_1731841	Inhibition of HDAC1 in human HeLa cells after 72 hrs by ELISA
50001673	2	ChEBML_1731842	Inhibition of HDAC2 in human HeLa cells after 72 hrs by ELISA
50001673	3	ChEBML_1731844	Inhibition of HDAC6 in human HeLa cells after 72 hrs by ELISA
50001673	5	ChEMBL_1731843 (CHEMBL4147379)	Inhibition of HDAC4 in human HeLa cells after 72 hrs by ELISA
50001674	1	ChEMBL_1731847 (CHEMBL4147383)	Inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis
50001674	2	ChEMBL_1731850 (CHEMBL4147386)	Competitive inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysis
50001674	3	ChEMBL_1731851 (CHEMBL4147387)	Competitive inhibition of Plasmodium falciparum G6PD-6PGL using G6P as substrate in presence of NADP+ by Lineweaver-Burk plot analysis
50001674	4	ChEMBL_1731846 (CHEMBL4147382)	Inhibition of recombinant full length human G6PD expressed in Escherichia coli HB351 using G6P as substrate in presence of NADP+ by spectrofluorimetric analysis
50001676	1	ChEMBL_1731875 (CHEMBL4147411)	Inhibition of recombinant human PDE4D expressed in Escherichia coli assessed as increase in cAMP levels after 60 mins by BIOMOLGREEN dye-based assay
50001677	1	ChEMBL_1731932 (CHEMBL4147468)	Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50001677	2	ChEMBL_1731930 (CHEMBL4147466)	Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50001677	3	ChEMBL_1731928 (CHEMBL4147464)	Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay
50001678	1	ChEMBL_1731945 (CHEMBL4147481)	Displacement of fluoromone TM from recombinant human ERalpha after 2 hrs by fluorescence polarization analysis
50001681	1	ChEMBL_1731957 (CHEMBL4147493)	Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substrate addition measured after 40 mins by fluorescence assay
50001681	2	ChEMBL_1731956 (CHEMBL4147492)	Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substrate addition measured after 40 mins by fluorescence assay
50001681	3	ChEMBL_1731958 (CHEMBL4147494)	Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase H274Y mutant using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substrate addition measured after 40 mins by fluorescence assay
50001682	1	ChEMBL_1731989 (CHEMBL4147525)	Binding affinity to human Keap1 (322 to 609 residues) by ITC method
50001682	2	ChEMBL_1731990 (CHEMBL4147526)	Binding affinity to human Tau (1 to 441 residues) by ITC method
50001683	1	ChEMBL_1732010 (CHEMBL4147546)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50001683	2	ChEMBL_1732037 (CHEMBL4147573)	Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50001683	3	ChEMBL_1732014 (CHEMBL4147550)	Competitive inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Lineweaver-Burk plot analysis
50001684	1	ChEMBL_1732056 (CHEMBL4147592)	Inhibition of Mycobacterium tuberculosis InhA I215A mutant expressed in Escherichia coli BL21(DE3) pLysS cells using C8-CoA as substrate by UV-vis spectrophotometric analysis
50001684	2	ChEMBL_1732058 (CHEMBL4147594)	Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-CoA as substrate
50001684	3	ChEMBL_1732059 (CHEMBL4147595)	Inhibition of Mycobacterium tuberculosis InhA using 2-trans-dodecenoyl-CoA as substrate by fluorimetric method
50001684	4	ChEMBL_1732060 (CHEMBL4147596)	Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH
50001684	5	ChEMBL_1732061 (CHEMBL4147597)	Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+
50001684	6	ChEMBL_1732062 (CHEMBL4147598)	Inhibition of Mycobacterium tuberculosis InhA using dodecenoyl-CoA as substrate in presence of NADH by fluorimetric analysis
50001684	7	ChEMBL_1732063 (CHEMBL4147599)	Binding affinity to Mycobacterium tuberculosis InhA in presence of TCEP and NADH by isothermal titration calorimetry
50001684	8	ChEMBL_1732064 (CHEMBL4147600)	Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay
50001684	9	ChEMBL_1732065 (CHEMBL4147601)	Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay
50001684	10	ChEMBL_1732067 (CHEMBL4147603)	Inhibition of Mycobacterium tuberculosis InhA using 2-trans-dodecenoyl-CoA as substrate in presence of NADH after 1 hr by fluorescence analysis
50001684	11	ChEMBL_1732068 (CHEMBL4147604)	Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADH
50001684	12	ChEMBL_1732069 (CHEMBL4147605)	Inhibition of Mycobacterium tuberculosis InhA I215A mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as enzyme-inhibitor complex by UV-vis spectrophotometric analysis
50001684	13	ChEMBL_1732052 (CHEMBL4147588)	Inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate
50001684	14	ChEMBL_1732070 (CHEMBL4147606)	Inhibition of Mycobacterium tuberculosis InhA V203A mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as enzyme-inhibitor complex by UV-vis spectrophotometric analysis
50001684	15	ChEMBL_1732045 (CHEMBL4147581)	Inhibition of Mycobacterium tuberculosis InhA
50001684	16	ChEMBL_1732047 (CHEMBL4147583)	Inhibition of Mycobacterium tuberculosis InhA T2A mutant
50035251	10	ChEBML_3260	Binding affinity towards 5-HT4 receptor in striatum membranes of guinea-pig brain was evaluated
50041053	2	ChEBML_205892	Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [3H]-substance P displacement.
50042174	1	ChEBML_205889	Binding affinity against human Tachykinin receptor 1 expressed in CHO cells using [3H]-substance P as the radioligand
50042174	2	ChEBML_202151	Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay.
50042175	1	ChEBML_32520	In vitro binding affinity against cloned human alpha-1D-adrenoceptor receptors expressed in rat-1 fibroblasts
50042175	2	ChEBML_32514	In vitro binding affinity against cloned human alpha-1B-adrenoceptor receptors expressed in rat-1 fibroblasts
50042175	3	ChEBML_32511	In vitro binding affinity against cloned human alpha-1A-adrenoceptor receptors expressed in rat-1 fibroblasts
50042176	1	ChEBML_124427	Inhibitory potency against Monoamine oxidase B
50042176	2	ChEBML_123593	Inhibitory potency against Monoamine oxidase A
50042177	1	ChEBML_60843	Binding affinity against Dopamine receptor D4
50042177	2	ChEBML_33870	Binding affinity against Alpha-1A adrenergic receptor
50042177	3	ChEBML_33199	Binding affinity against Alpha-2A adrenergic receptor
50042177	4	ChEBML_84544	Binding affinity against Histamine H1 receptor
50042177	5	ChEBML_1046	Binding affinity against 5-HT1D receptor
50042177	6	ChEMBL_1766 (CHEMBL616551)	Binding affinity against 5-hydroxytryptamine 1D receptor
50042177	7	ChEMBL_2742 (CHEMBL617454)	Binding affinity against 5-HT2C receptor
50042177	8	ChEBML_2512	Binding affinity against 5-hydroxytryptamine 2A receptor
50042177	9	ChEBML_61647	Binding affinity against Dopamine receptor D2L
50042177	10	ChEBML_62452	Binding affinity against Dopamine receptor D3
50042177	11	ChEBML_2941	Binding affinity against 5-HT1A receptor
50042177	12	ChEBML_2742	Binding affinity against 5-HT2C receptor
50042177	13	ChEBML_33813	Binding affinity against Alpha-3A adrenergic receptor
50042178	1	ChEMBL_33865 (CHEMBL643738)	Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergic receptor
50042178	2	ChEMBL_34481 (CHEMBL651235)	Binding affinity of compound towards human Alpha-1B adrenergic receptor expressed in rat fibroblast membranes
50042178	3	ChEMBL_32583 (CHEMBL643421)	Binding affinity of compound towards human Alpha-1D adrenergic receptor expressed in rat-1 fibroblast membranes
50042179	1	ChEBML_34482	In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts
50042179	2	ChEBML_33871	In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells
50042179	3	ChEBML_32584	In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts
50001684	17	ChEMBL_1732049 (CHEMBL4147585)	Inhibition of Mycobacterium tuberculosis InhA D2A mutant
50001684	18	ChEMBL_1732050 (CHEMBL4147586)	Inhibition of Mycobacterium tuberculosis InhA S94A mutant
50001684	19	ChEMBL_1732054 (CHEMBL4147590)	Inhibition of Mycobacterium tuberculosis InhA V203A mutant expressed in Escherichia coli BL21(DE3) pLysS cells using C8-CoA as substrate by UV-vis spectrophotometric analysis
50001684	20	ChEMBL_1732042 (CHEMBL4147578)	Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-CoA as substrate by spectrophotometric analysis
50001684	21	ChEMBL_1732043 (CHEMBL4147579)	Inhibition of Mycobacterium tuberculosis InhA I21V mutant using trans-2-decenoyl-CoA as substrate by spectrophotometric analysis
50001684	22	ChEMBL_1732044 (CHEMBL4147580)	Inhibition of Mycobacterium tuberculosis InhA S94A mutant using trans-2-decenoyl-CoA as substrate by spectrophotometric analysis
50011940	1	ChEBML_70497	Compound was tested for its ability to inhibit binding of [3H]- Glc1Man9 GlcNAc2 to GST-fused calnexin immobilized on glutathione-agarose
50001685	1	ChEMBL_1732100 (CHEMBL4147636)	Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	2	ChEMBL_1732101 (CHEMBL4147637)	Inhibition of c-Kit (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	3	ChEMBL_1732102 (CHEMBL4147638)	Inhibition of Ron (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	4	ChEMBL_1732103 (CHEMBL4147639)	Inhibition of KDR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	5	ChEMBL_1732104 (CHEMBL4147640)	Inhibition of RET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	6	ChEMBL_1732105 (CHEMBL4147641)	Inhibition of AXL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	7	ChEMBL_1732106 (CHEMBL4147642)	Inhibition of EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	8	ChEMBL_1732107 (CHEMBL4147643)	Inhibition of IGF1R (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001685	9	ChEMBL_1732108 (CHEMBL4147644)	Inhibition of Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50001686	1	ChEMBL_1732174 (CHEMBL4147710)	Binding affinity to androgen receptor (unknown origin)
50001687	1	ChEMBL_1732178 (CHEMBL4147714)	Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay
50001687	2	ChEMBL_1732177 (CHEMBL4147713)	Inhibition of human CA2 after 15 mins by stopped-flow CO2 hydration assay
50041065	2	ChEBML_147423	In vitro antagonism of P2X 7 receptor in THP-1 (human pre-monocytic) cells.
50035339	3	ChEMBL_147430 (CHEMBL754462)	Antagonistic activity against P2X7 receptor
50042184	1	ChEBML_29848	Compound was tested for the in silico inhibition of acetylcholinesterase
50042186	1	ChEBML_34484	Inhibitory concentration against radioligand binding to human Alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells
50042186	2	ChEBML_33873	Inhibitory concentration against radioligand binding to human Alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells
50042186	3	ChEMBL_32586 (CHEMBL643423)	Inhibitory concentration against radioligand binding to human Alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells
50042186	4	ChEBML_32587	Inhibitory concentration against radioligand binding to human aAlpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells
50035373	2	ChEBML_161790	Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay
50042187	1	ChEBML_123904	Inhibition of human monoamine oxidase (MAO B)
50042187	2	ChEBML_122928	Inhibition of human monoamine oxidase (MAO A)
50001687	3	ChEMBL_1732176 (CHEMBL4147712)	Inhibition of human CA1 after 15 mins by stopped-flow CO2 hydration assay
50041090	1	ChEBML_89668	Inhibition of inosine monophosphate dehydrogenase in Escherichia coli
50001687	4	ChEMBL_1732179 (CHEMBL4147715)	Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay
50018264	4	ChEMBL_2268360	Inhibition of RXRalpha (unknown origin)
50018264	5	ChEMBL_2268361	Inhibition of RXRbeta (unknown origin)
50018264	6	ChEMBL_2268362	Inhibition of RXRgamma (unknown origin)
50018264	7	ChEMBL_2268363	Antagonist activity at RXRalpha (unknown origin)
50018264	8	ChEMBL_2268364	Inverse agonist activity at TLX (unknown origin)
50018264	9	ChEMBL_2268369	Inhibition of Gal4-fused full length Nur77 in human BGC-823 cells
50018264	10	ChEMBL_2268370	Inhibition of Gal4-fused Nur77-LBD in human BGC-823 cells
50018264	11	ChEMBL_2268372	Binding affinity to Nur77 (unknown origin)
50018264	12	ChEMBL_2268373	Binding affinity to Nur77 (unknown origin) by SPR assay
50018264	13	ChEMBL_2268377	Inhibition of Gal4-fused Nurr1 in mouse MN9D cells
50018264	14	ChEMBL_2268378	Inhibition of full-length Nurr1 in rat N27-A cells
50018264	15	ChEMBL_2268379	Inhibition of Gal4-fused Nur77 in HEK293T cells
50018264	16	ChEMBL_2268380	Inhibition of full-length Nurr1-RXRalpha in human SH-SY5Y cells
50018264	17	ChEMBL_2268386	Inhibition of human full length Nurr1-RXRalpha transfected in COS7 cells
50018267	1	ChEMBL_2268389	Binding affinity to TSPO receptor (unknown origin)
50018267	2	ChEMBL_2268392	Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex membrane incubated for 120 mins by liquid scintillation spectrometer method
50004394	2	ChEMBL_30782 (CHEMBL645059)	Ability to inhibit calf intestinal adenosine deaminase (ADA); No data
50003881	1	ChEBML_31100	Compound was evaluated for competitive inhibition of adenosine deaminase and expressed as Ki
50003412	1	ChEBML_212946	Binding affinity to uridine kinase from L1210. was determined from the dixon plot
50035550	2	ChEBML_153987	Inhibitory activity was evaluated against pepsin using porcine pepsin (sigma), porcine hemoglobin (sigma) and 0.02 M KCl-HCl buffer (pH 2)
50035550	4	ChEBML_44981	Inhibitory activity was evaluated against bovine cathepsin D (sigma)
50035600	4	ChEBML_153979	Compound was tested for inhibition of porcine pepsin
50035600	5	ChEBML_44970	Compound was tested for inhibition of bovine cathepsin D
50001688	1	ChEMBL_1732223 (CHEMBL4147759)	Inhibition of N-terminal 26 residues truncated 5-FAM labelled Bid-BH3 binding to MCL1 (unknown origin) by fluorescence polarization assay
50001688	2	ChEMBL_1732224 (CHEMBL4147760)	Inhibition of FITC-BAK binding to MCL1 (172 to 327 residues) (unknown origin) by fluorescence polarization assay
50001688	3	ChEMBL_1732226 (CHEMBL4147762)	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50001688	4	ChEMBL_1732227 (CHEMBL4147763)	Inhibition of Bcl-xL (unknown origin) by fluorescence polarization assay
50001688	5	ChEMBL_1732228 (CHEMBL4147764)	Inhibition of Mcl-1 (unknown origin) by fluorescence polarization assay
50001688	6	ChEMBL_1732229 (CHEMBL4147765)	Inhibition of Bcl-2 (unknown origin) by TR-FRET assay
50001688	7	ChEMBL_1732230 (CHEMBL4147766)	Inhibition of Bcl-xL (unknown origin) by TR-FRET assay
50001688	8	ChEMBL_1732231 (CHEMBL4147767)	Inhibition of Mcl-1 (unknown origin) by TR-FRET assay
50001688	9	ChEMBL_1732221 (CHEMBL4147757)	Inhibition of FITC-BAK binding to His6 tagged MBP fused recombinant human MCL1 (172 to 327 residues) expressed in Escherichia coli by fluorescence polarization competition assay
50001688	10	ChEMBL_1732218 (CHEMBL4147754)	Inhibition of biotin labelled Bid-BH3 binding to GST-tagged BCL-XL (unknown origin) preincubated for 15 mins followed by biotin labelled Bid-BH3 addition measured after 2 hrs by ELISA
50001688	11	ChEMBL_1732217 (CHEMBL4147753)	Inhibition of biotin labelled Bid-BH3 binding to GST-tagged MCL1 (unknown origin) preincubated for 15 mins followed by biotin labelled Bid-BH3 addition measured after 2 hrs by ELISA
50001688	12	ChEMBL_1732211 (CHEMBL4147747)	Inhibition of biotin labelled Bid-BH3 binding to C-terminal GST-tagged human BCL-XL transmembrane domain expressed in Escherichia coli BL21 (DE3) preincubated for 1 hr followed by followed by biotin labelled Bid-BH3 addition measured after 2 hrs by ELISA
50001688	13	ChEMBL_1732210 (CHEMBL4147746)	Inhibition of biotin labelled Bid-BH3 binding to N-terminal truncated 151/C-terminal truncated of 23 residues GST-tagged mouse MCL1 expressed in Escherichia coli BL2(DE3) preincubated for 1 hr followed by followed by biotin labelled Bid-BH3 addition measured after 2 hrs by ELISA
50001537	2	ChEMBL_205660 (CHEMBL807744)	Compound was evaluated for the histamine releasing activity of the Substance P from isolated rat peritoneal mast cells using the procedure of Fretwell et al
50041144	1	ChEBML_89794	Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive
50001688	14	ChEMBL_1732209 (CHEMBL4147745)	Binding affinity to MCL1 (unknown origin) by surface plasma resonance method
50042191	1	ChEBML_154901	Inhibition of human plasma renin
50018267	3	ChEMBL_2268393	Binding affinity to human TSPO
50018267	4	ChEMBL_2268394	Displacement of [3H]CB34 from TSPO receptor in rat brain cortex membrane by liquid scintillation spectrometer method
50018267	5	ChEMBL_2268395	Binding affinity to mitochondrial TSPO (unknown origin)
50018267	6	ChEMBL_2268399	Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex mitochondrial membrane by liquid scintillation spectrometer method
50018267	7	ChEMBL_2268401	Displacement of [3H]PK11195 from TSPO receptor in rat brain cortex mitochondrial membrane incubated for 60 mins by liquid scintillation spectrometer method
50018270	1	ChEMBL_2268402	Inhibition of TNKS1 (unknown origin) using biotinylated NAD as substrate assessed as inhibition of autoPARsylation activity incubated for 90 mins by TR-FRET analysis
50018270	2	ChEMBL_2268403	Inhibition of TNKS1 (unknown origin) using biotinylated NAD as substrate assessed as inhibition of autoPARsylation activity incubated for 1 hr by ELISA
50018270	3	ChEMBL_2268409	Inhibition of TNKS2 (unknown origin) using biotinylated NAD as substrate assessed as inhibition of autoPARsylation activity incubated for 1 hr by ELISA
50018270	4	ChEMBL_2268410	Inhibition of PARP-1 (unknown origin) using biotinylated NAD and NAD as substrate assessed as inhibition of auto-PARsylation incubated for 150 mins by TR-FRET assay
50018270	5	ChEMBL_2268417	Binding affinity to recombinant human TNKS1 (1091 to 1327 residues) assessed as dissociation constant by ITC method
50018270	6	ChEMBL_2268418	Inhibition of TNKS1 (unknown origin)
50018270	7	ChEMBL_2268419	Inhibition of TNKS2 (unknown origin)
50018270	8	ChEMBL_2268420	Inhibition of N-terminal GST-tagged human recombinant PARP1 (2 to 1014 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	9	ChEMBL_2268421	Inhibition of N-terminal GST-tagged human recombinant PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells by chemiluminescence assay
50018270	10	ChEMBL_2268422	Inhibition of N-terminal GST-fused human recombinant PARP3 (2 to 540 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	11	ChEMBL_2268423	Inhibition of N-terminal GST-tagged human recombinant PARP6 (1 to 630 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	12	ChEMBL_2268424	Inhibition of N-terminal FLAG-tagged human recombinant PARP7 (400 to 657 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	13	ChEMBL_2268425	Inhibition of human PARP8 by chemiluminescence assay
50018270	14	ChEMBL_2268426	Inhibition of human PARP10 by chemiluminescence assay
50018270	15	ChEMBL_2268427	Inhibition of N-terminal GST-tagged/C-terminal 6xHis-tagged human recombinant PARP11 (8 to 338 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	16	ChEMBL_2268428	Inhibition of human PARP12 by chemiluminescence assay
50018270	17	ChEMBL_2268429	Inhibition of N-terminal GST/6xHis/TEV-tagged human recombinant PARP14 (1470 to 1801 residues) expressed in Sf9 insect cells by chemiluminescence assay
50018270	18	ChEMBL_2268430	Inhibition of N-terminal GST-tagged human recombinant PARP15 (221 to 444 residues) expressed in Escherichia coli by chemiluminescence assay
50018270	19	ChEMBL_2268437	Inhibition of dopamine transporter (unknown origin)
50018270	20	ChEMBL_2268438	Inhibition of A3 adenosine receptor (unknown origin)
50018270	21	ChEMBL_2268444	Inhibition of CYP450 (unknown origin)
50018272	1	ChEMBL_2268492	Inhibition of full length beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)/N-terminal biotinylated human BCL9 HD2 (350 to 375 residues) protein-protein interaction incubated for 1 hr by Alphascreen assay
50001688	15	ChEMBL_1732207 (CHEMBL4147743)	Inhibition of FAM labelled Bid-BH3 binding to N-terminal GST-tagged human recombinant MCL1 expressed in Escherichia coli BL2(DE3) after 60 mins by TR-FRET assay
50018272	2	ChEMBL_2268493	Inhibition of full length beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)/N-terminal biotinylated human BCL9 HD2 (350 to 375 residues) protein-protein interaction assessed as inhibition constant incubated for 1 hr by Alphascreen assay
50001688	16	ChEMBL_1732202 (CHEMBL4147738)	Displacement of FAM labelled Bid-derived peptide from Bcl-2 (unknown origin) incubated for 1 min by fluorescence polarization assay
50001688	17	ChEMBL_1732201 (CHEMBL4147737)	Displacement of FAM labelled Bid-derived peptide from MCL1 (unknown origin) incubated for 1 min by fluorescence polarization assay
50001688	18	ChEMBL_1732198 (CHEMBL4147734)	Inhibition of His6 tagged MBP fused Mcl-1 (unknown origin) after 0.5 hrs by fluorescence polarization assay
50001688	19	ChEMBL_1732197 (CHEMBL4147733)	Inhibition of MCL1 (unknown origin) by fluorescence polarization assay
50001688	20	ChEMBL_1732194 (CHEMBL4147730)	Inhibition of recombinant FITC tagged MCL1 SAHBA binding to MCL1 deltaNdeltaC (unknown origin) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50001689	1	ChEMBL_1732641 (CHEMBL4148177)	Inhibition of Chk2 (unknown origin) assessed as decrease in Cdc25C phosphorylation at Ser216 by ELISA based spectrophotometric analysis
50042194	4	ChEBML_60809	Binding affinity against Dopamine receptor D2 in rat brain membrane using [3H]-8-OH-DPAT as a selective ligand.
50042194	5	ChEBML_1813	Binding affinity against 5-HT1B receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50042194	6	ChEMBL_1815 (CHEMBL616787)	Binding affinity towards 5-HT1B receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.
50018276	1	ChEMBL_2268526	Binding affinity to integrin alpha5beta1 (unknown origin) assessed as inhibition of integrin and fibronectin interaction
50018276	2	ChEMBL_2268528	Binding affinity to HER2 (unknown origin) assessed as dissociation constant
50018278	1	ChEMBL_2268529	Inhibition of MMP1 (unknown origin)
50018278	2	ChEMBL_2268530	Inhibition of cathepsin L (unknown origin)
50018278	3	ChEMBL_2268531	Inhibition of amyloid beta (1 to 42 ) (unknown origin) self aggregation
50018278	4	ChEMBL_2268533	Antagonist activity at H3R (unknown origin)
50018278	5	ChEMBL_2268534	Agonist activity at human FXR
50018278	6	ChEMBL_2268535	Inhibition of FXR (unknown origin)
50018278	7	ChEMBL_2268536	Inhibition of HDAC (unknown origin)
50018278	8	ChEMBL_2268537	Agonist activity at VDR (unknown origin)
50018278	9	ChEMBL_2268538	Inhibition of VDR (unknown origin)
50018278	10	ChEMBL_2268539	Inhibition of human sEH
50018278	11	ChEMBL_2268540	Inhibition of TXA2 synthetase (unknown origin)
50018278	12	ChEMBL_2268541	Inhibition of src (unknown origin)
50018278	13	ChEMBL_2268542	Inhibition of EGFR (unknown origin)
50018278	14	ChEMBL_2268543	Inhibition of NET (unknown origin)
50018278	15	ChEMBL_2268545	Inhibition of aromatase in human JEG-3 cells
50018278	16	ChEMBL_2268546	Inhibition of AChE (unknown origin)
50018278	17	ChEMBL_2268547	Inhibition of SERT (unknown origin)
50018278	18	ChEMBL_2268548	Inhibition of STS (unknown origin)
50018278	19	ChEMBL_2268549	Binding affinity to NET (unknown origin)
50018278	20	ChEMBL_2268550	Binding affinity to calcium channel alpha2delta1 (unknown origin)
50018279	1	ChEMBL_2268561	Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis
50018279	2	ChEMBL_2268563	Binding affinity to N-terminal His-tagged full length EED (unknown origin) expressed in Rosetta2 BL21 (DE3) pLysS competent cells assessed as dissociation constant incubated for 180 sec by ITC analysis
50018279	3	ChEMBL_2268564	Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubated for 20 mins in presence of biotinylated H3K27me3 peptide (19 to 33 residues) by alphascreen competitive binding assay
50001679	5	ChEBML_100139	Binding affinity at LH-RH receptor in rat pituitary using [125I]leuprolide as radioligand
50001691	1	ChEMBL_1732675 (CHEMBL4148211)	Inhibition of Trypanosoma cruzi Y trypamastigotes PAT assessed as reduction in [3H]--spermidine uptake after 10 mins by liquid scintillation counting method
50001691	2	ChEMBL_1732674 (CHEMBL4148210)	Inhibition of Trypanosoma cruzi Y trypamastigotes PAT assessed as reduction in [3H]-putrescine uptake after 10 mins by liquid scintillation counting method
50001691	3	ChEMBL_1732663 (CHEMBL4148199)	Inhibition of Trypanosoma cruzi Y epimastigotes PAT assessed as reduction in [3H]--spermidine uptake after 10 mins by liquid scintillation counting method
50035828	8	ChEBML_53732	Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase.
50001691	4	ChEMBL_1732662 (CHEMBL4148198)	Inhibition of Trypanosoma cruzi Y epimastigotes PAT assessed as reduction in [3H]-putrescine uptake after 10 mins by liquid scintillation counting method
50035836	3	ChEBML_49616	Tested for inhibition of Chymotrypsinogen from bovine
50035836	5	ChEBML_44986	Tested for inhibition of Cathepsin D from bovine
50035836	6	ChEBML_153990	Tested for inhibition of pepsin from porcine
50035836	2	ChEBML_35065	Tested for inhibition of Angiotensin I converting enzyme from rabbit.
50001692	1	ChEMBL_1732723 (CHEMBL4148259)	Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50001692	2	ChEMBL_1732722 (CHEMBL4148258)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50001692	3	ChEMBL_1732725 (CHEMBL4148261)	Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50001692	4	ChEMBL_1732719 (CHEMBL4148255)	Inhibition of AChE (unknown origin)
50001334	10	ChEBML_28418	Inhibition activity against AICAR formyltransferase determined against MOLT-4
50035866	2	ChEBML_103876	In vitro inhibitory activity against pig heart cytoplasmic malate dehydrogenase (MDH)
50035866	6	ChEBML_96562	In vitro inhibitory activity against pig heart lactate dehydrogenase (LDH)
50001693	1	ChEMBL_1732820 (CHEMBL4148356)	Inhibition of recombinant human N-terminal His-tagged EGFR (1 to 645 residues) expressed in HEK293 cells by ELISA
50001693	2	ChEMBL_1732821 (CHEMBL4148357)	Inhibition of EGFR L858R mutant (unknown origin) using ULight-poly GT as substrate preincubated for 120 mins followed by substrate addition measured after 2 hrs by spectrophotometric method
50001693	3	ChEMBL_1732822 (CHEMBL4148358)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) using ULight-poly GT as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by spectrophotometric method
50001693	4	ChEMBL_1732823 (CHEMBL4148359)	Inhibition of EGFR T790M mutant (unknown origin) preincubated for 10 mins followed by TK substrate-botion addition measured after 1 hr by spectrophotometric method
50000601	12	ChEBML_1562	Compound was tested for the binding affinity against 5-hydroxytryptamine 1A receptor by using [3H]DPAT as radioligand
50000601	11	ChEBML_2232	Compound was tested for the binding affinity against 5-hydroxytryptamine 2 receptor by using [3H]ketanserin as radioligand
50000601	6	ChEBML_84867	Compound was tested for the binding affinity against histamine H1 receptor by using [3H]mepyramine as radioligand
50000601	10	ChEBML_226567	Compound was tested for the binding affinity against sigma receptor by using [3H]-+3PPP as radioligand
50001695	1	ChEMBL_1732881 (CHEMBL4148417)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell membranes after 1 hr by Microbeta scintillation counting method
50001695	2	ChEMBL_1732882 (CHEMBL4148418)	Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by Microbeta scintillation counting method
50001695	3	ChEMBL_1732883 (CHEMBL4148419)	Displacement of [3H]-5-CT from human 5HT7BR expressed in HEK293 cell membranes after 1 hr by Microbeta scintillation counting method
50035969	4	ChEBML_159774	The compound was tested for its affinity against HIV-1 protease
50035969	7	ChEBML_160729	The compound was tested for its affinity against HIV -2 protease
50042197	1	ChEBML_201733	In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum
50042198	1	ChEBML_201732	In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum.
50042198	2	ChEBML_60935	In vitro for the binding affinity against dopamine receptor D2 by using [3H](-)-sulpiride as radioligand in rat striatum.
50036008	8	ChEBML_154698	Binding affinity against phencyclidine (PCP) receptor from guinea pig brain, using [3H]TCP as radioligand.
50001695	4	ChEMBL_1732885 (CHEMBL4148421)	Displacement of [3H]-clonidine from alpha2-adrenergic receptor in rat brain cortex after 30 mins by Microbeta scintillation counting method
50042199	1	ChEBML_85509	Compound is evaluated for histamine H2 receptor agonistic activity in guinea pig cerebral cortex using [3H]tiotidine as radioligand
50001695	5	ChEMBL_1732884 (CHEMBL4148420)	Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat brain cortex after 30 mins by Microbeta scintillation counting method
50000284	2	ChEBML_29278	In vitro prolonging of the stimulus-QRS interval in guinea pig heart.
50042200	1	ChEMBL_209428 (CHEMBL814285)	Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)
50042200	2	ChEBML_209427	Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor)
50001695	6	ChEMBL_1732886 (CHEMBL4148422)	Displacement of [3H]-CGP-12177 from beta1-adrenergic receptor in rat brain cortex after 1 hr by Microbeta scintillation counting method
50005160	6	ChEBML_35663	Tested in vitro for amylase release from rat pancreatic acini
50036182	18	ChEBML_78159	Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.047-0.098
50042202	1	ChEMBL_77009 (CHEMBL696086)	Inhibition of 5-HT-evoked 5-HT4 receptor-mediated contractions in the guinea pig distal colon longitudinal muscle myenteric plexus (LMMP)
50005428	4	ChEMBL_39169 (CHEMBL654466)	Inhibitory concentration against beta-1-adrenergic receptor in isolated guinea pig atria
50036243	7	ChEMBL_210391 (CHEMBL812111)	Tested for binding affinity against Thermolysin
50042203	1	ChEMBL_1079 (CHEMBL616402)	Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from pig cortex
50042203	2	ChEMBL_1964 (CHEMBL617569)	Displacement of [3H]5-HT binding to 5-hydroxytryptamine 1D receptor from pig caudate membrane
50042203	3	ChEMBL_2710 (CHEMBL617270)	Displacement of [3H]DOB binding to 5-hydroxytryptamine 2A receptor from rat cortex homogenate
50001697	1	ChEMBL_1732906 (CHEMBL4148442)	Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hr
50041230	2	ChEMBL_82001 (CHEMBL691795)	Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen
50041230	3	ChEMBL_82002 (CHEMBL871998)	Inhibition of human umbilical vein endothelial cell adhesion to fibronectin
50042205	3	ChEMBL_49897 (CHEMBL661739)	In vitro displacement of [125I]BH-CCK-8 from cDNA of human Cholecystokinin type A receptor expressed in CHO-K1 cells
50036363	4	ChEMBL_39178 (CHEMBL654475)	Activity for Beta-1 adrenergic receptor was assessed from ability to stimulate contractions in isolated guinea pig atrium.
50005329	2	ChEMBL_158031 (CHEMBL768622)	Inhibition of HIV-1 protease was determined in vitro
50001697	2	ChEMBL_1732907 (CHEMBL4148443)	Antagonist activity at CCR5 (unknown origin) by HTS assay
50001698	1	ChEMBL_1732944 (CHEMBL4148480)	Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins
50042206	1	ChEMBL_205891 (CHEMBL813803)	Binding affinity towards tachykinin receptor 1 in human IM9 cells.
50042207	1	ChEMBL_3289 (CHEMBL619089)	Ability to antagonize 5-HT-evoked contractions mediated through 5-hydroxytryptamine 4 receptor activation in the guinea pig distal colon LMMP
50042207	2	ChEMBL_3290 (CHEMBL619090)	Binding affinity was determined against 5-hydroxytryptamine 3 receptor
50001699	1	ChEMBL_1733111 (CHEMBL4148647)	Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Lineweaver-Burk plot analysis
50001699	2	ChEMBL_1733112 (CHEMBL4148648)	Non-competitive inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Lineweaver-Burk plot analysis
50001699	3	ChEMBL_1733109 (CHEMBL4148645)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50001699	4	ChEMBL_1733107 (CHEMBL4148643)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50001701	1	ChEBML_1733119	Binding affinity to sigma-1 receptor (unknown origin)
50001701	2	ChEBML_1733120	Binding affinity to sigma-2 receptor (unknown origin)
50001701	3	ChEBML_1733122	Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scintillation counting method
50042208	1	ChEMBL_48118 (CHEMBL661438)	Binding affinity against human Cholecystokinin type B receptor in CHO-K1 cells using [125I]-Bolton-Hunter CCK-8 as radioligand
50042208	2	ChEMBL_49889 (CHEMBL661731)	Binding affinity against human Cholecystokinin type A receptor in membrane preparation isolated from CHO-K1 cells stably transfected with cDNA of human CCK-A using [125I]-Bolton-Hunter CCK-8 as radioligand
50006716	1	ChEMBL_50542 (CHEMBL660321)	Inhibition of Cytochrome P450 19A1 in Human placental microsomes
50042209	1	ChEMBL_49894 (CHEMBL661736)	Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type A receptor stably expressed in CHO-K1 cells
50042209	2	ChEMBL_48123 (CHEMBL661441)	Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor expressed in CHO-K1 cells
50042209	3	ChEMBL_48122 (CHEMBL875377)	Concentration required to displace [125I]Bolton-Hunter CCK-8 from human Cholecystokinin type B receptor stably expressed in CHO-K1 cells
50042210	1	ChEMBL_196348 (CHEMBL802044)	Inhibition of HIV-1 reverse transcriptase (HIV-1 RT)
50041247	2	ChEMBL_90320 (CHEMBL698534)	Inhibition of human platelet aggregation mediated by alpha llb/beta3 interaction with fibrinogen
50036470	4	ChEMBL_209816 (CHEMBL815681)	Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells.
50042211	1	ChEMBL_70367 (CHEMBL677192)	Inhibition of binding to integrin alphaIIb-beta3
50042211	3	ChEMBL_30241 (CHEMBL644380)	Inhibition of binding to fibrinogen receptor
50001701	5	ChEMBL_1733121 (CHEMBL4148657)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method
50001701	6	ChEMBL_1733122 (CHEMBL4148658)	Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membranes after 120 mins in presence of (+)-pentazocine by microbeta scintillation counting method
50042212	1	ChEMBL_48121 (CHEMBL661440)	Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK-8 from membrane preparation isolated from CHO-KI cells stably transfected with cDNA of human Cholecystokinin type B receptor
50042212	2	ChEMBL_49893 (CHEMBL661735)	Compound was tested in vitro for its ability to displace [125I]Bolton-Hunter CCK-8 from membrane preparation isolated from CHO-KI cells stably transfected with cDNA of human Cholecystokinin type A receptor
50001701	7	ChEMBL_1733120 (CHEMBL4148656)	Binding affinity to sigma-2 receptor (unknown origin)
50042213	1	ChEMBL_92799 (CHEMBL703977)	Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50
50042214	1	ChEMBL_207469 (CHEMBL816750)	Inhibitory concentration against radioligand [3H]SQ-29,548 (5 nM) binding to TP receptors in human platelets
50036552	6	ChEMBL_71979 (CHEMBL683532)	Inhibition of rat brain Geranylgeranyl transferase type I
50036552	7	ChEMBL_70276 (CHEMBL681415)	Inhibition of bovine Farnesyltransferase
50041258	3	ChEMBL_36779 (CHEMBL650300)	Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptor of bovine adrenocortical membranes
50001703	1	ChEBML_1733139	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged PCAF (G715 to D831 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	2	ChEBML_1733133	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged EP300 (A1040 to G1161 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	3	ChEBML_1733134	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	4	ChEBML_1733135	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TAF-1 (R1377 to D1503 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	5	ChEBML_1733136	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BAZ2B (S1858 to S1972 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	6	ChEBML_1733137	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD9 (L14 to Q134 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	7	ChEBML_1733138	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TIF-1 (G896 to E1014 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	8	ChEBML_1733129	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged CBP (R1081 to G1197 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	9	ChEMBL_1733138 (CHEMBL4148674)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TIF-1 (G896 to E1014 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	10	ChEMBL_1733139 (CHEMBL4148675)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged PCAF (G715 to D831 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	11	ChEMBL_1733129 (CHEMBL4148665)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged CBP (R1081 to G1197 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	12	ChEMBL_1733137 (CHEMBL4148673)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD9 (L14 to Q134 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	13	ChEMBL_1733133 (CHEMBL4148669)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged EP300 (A1040 to G1161 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	14	ChEMBL_1733135 (CHEMBL4148671)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged TAF-1 (R1377 to D1503 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001703	15	ChEMBL_1733134 (CHEMBL4148670)	Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) after 2.5 hrs by luminescence-based AlphaScreen assay
50001704	1	ChEMBL_1733216 (CHEMBL4148752)	Inhibition of human liver glycogen phosphorylase-a assessed as release of inorganic phosphate using glucose-1-phosphate as substrate in presence of glycogen by spectrophotometric method
50042216	1	ChEMBL_65664 (CHEMBL677091)	Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor
50042216	2	ChEMBL_65663 (CHEMBL679837)	Inhibition of specific binding of [125-I] ET-1 to human Endothelin A receptor
50001704	2	ChEMBL_1733214 (CHEMBL4148750)	Inhibition of rabbit muscle glycogen phosphorylase-b assessed as release of inorganic phosphate using glucose-1-phosphate as substrate in presence of AMP and glycogen by spectrophotometric method
50007772	14	ChEMBL_48477 (CHEMBL663039)	Binding affinity towards Coagulation factor X
50007772	3	ChEMBL_212177 (CHEMBL815152)	Binding affinity towards Trypsin.
50007772	8	ChEMBL_48795 (CHEMBL662448)	Binding affinity towards Coagulation factor X
50007772	4	ChEMBL_210586 (CHEMBL817396)	Binding affinity towards Thrombin.
50001704	3	ChEMBL_1733215 (CHEMBL4148751)	Inhibition of rabbit muscle glycogen phosphorylase-a assessed as release of inorganic phosphate using glucose-1-phosphate as substrate in presence of glycogen by spectrophotometric method
50001705	1	ChEMBL_1733218 (CHEMBL4148754)	Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fluorescent polarization assay
50007395	1	ChEMBL_70945 (CHEMBL683925)	Agonist activity against Human glucocorticoid receptor(hGR) expressed in CV-1 cells
50001705	2	ChEMBL_1733220 (CHEMBL4148756)	Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by fluorescent polarization assay
50001705	3	ChEMBL_1733219 (CHEMBL4148755)	Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by fluorescent polarization assay
50007395	5	ChEMBL_35933 (CHEMBL646841)	Agonistic activity against Human androgen receptor(hAR) expressed in CV-1 cells
50036710	4	ChEMBL_200014 (CHEMBL810703)	In vitro concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins at 3 mM
50036715	18	ChEMBL_162333 (CHEMBL768342)	Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor in presence of MRS2179.
50036781	1	ChEMBL_147714 (CHEMBL759184)	Compounds was tested for its ability to stimulate phospholipase C activity at the P2Y purinoceptor 1 in turkey erythrocyte membranes.
50018279	4	ChEMBL_2268567	Inhibition of EZH2-EED-SUZ12 (unknown origin) complex assessed as nucleosome methylation by radioactivity based assay
50018279	5	ChEMBL_2268575	Binding affinity to EED (unknown origin) assessed as dissociation constant by ITC analysis
50018281	1	ChEMBL_2268606	Inhibition of EZH2 (unknown origin) in PRC2 complex using H3 (1 to 24 residues) and 3H-SAM as substrate incubated for 1 hrs by Scintillation proximity assay
50036846	3	ChEMBL_30122 (CHEMBL640479)	Inhibition of fibrinogen binding to alpha IIb beta-3 integrin
50036846	16	ChEMBL_30128 (CHEMBL641170)	Inhibition of alpha IIb beta III mediated platelet aggregation
50036846	29	ChEMBL_220145 (CHEMBL841428)	inhibition of ADP-induced platelet aggregation in human platelet rich plasma
50042219	1	ChEMBL_158034 (CHEMBL768258)	Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme.
50036895	37	ChEMBL_45169 (CHEMBL662654)	Binding affinity against human cathepsin D
50036895	62	ChEMBL_159134 (CHEMBL769511)	Binding affinity against HIV-protease inhibitor.
50042220	1	ChEMBL_41557 (CHEMBL857083)	Inhibitory activity against butyrylcholinesterase (BChE) in human erythrocyte
50042220	2	ChEMBL_28897 (CHEMBL638446)	Inhibitory activity against acetylcholinesterase in human erythrocytes
50042221	1	ChEMBL_123581 (CHEMBL732301)	Inhibitory activity against monoamine oxidase A
50042221	2	ChEMBL_124419 (CHEMBL733083)	Inhibitory activity against monoamine oxidase B
50042222	1	ChEMBL_208706 (CHEMBL873469)	Inhibitory activity against thrombin
50042222	2	ChEMBL_225577 (CHEMBL880366)	Inhibitory activity against thrombin
50036991	5	ChEMBL_52892 (CHEMBL665415)	Inhibition of dihydroorotate dehydrogenase
50042223	1	ChEMBL_216970 (CHEMBL822788)	Antagonist affinity [non competitive (irreversible)] at alpha-1B-adrenoceptors on isolated spleen from rat
50042223	2	ChEMBL_216968 (CHEMBL822786)	Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoceptors on isolated prostatic Vas deferens from rat
50042223	3	ChEMBL_216972 (CHEMBL822790)	Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoceptors on isolated thoracic aorta from rat
50042224	1	ChEMBL_213396 (CHEMBL818054)	Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction
50042225	2	ChEMBL_28898 (CHEMBL638447)	Inhibitory activity on Acetylcholinesterase (AChE) from human erythrocytes
50037048	6	ChEMBL_217310 (CHEMBL823931)	Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.
50012442	3	ChEMBL_157621 (CHEMBL766918)	In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain; value ranges from (21-32)
50012601	4	ChEMBL_29130 (CHEMBL636791)	In vitro binding affinity for Adenosine A1 receptor of bovine cortex
50042226	2	ChEMBL_37517 (CHEMBL647214)	Receptor binding assay(Beta-1 adrenergic receptor) carried out with membranes prepared from human recombinant Sf9 cells expressing the cloned human receptor in the presence of [125I]iodocyanopindolol
50037108	4	ChEMBL_41085 (CHEMBL651726)	50 percent inhibitory concentration of Butyrylcholinesterase (BChE)
50037129	5	ChEMBL_38615 (CHEMBL857081)	Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus
50037135	4	ChEMBL_51712 (CHEMBL665727)	Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae
50013284	3	ChEMBL_68767 (CHEMBL682482)	Inhibition of [3H]anandamide binding to fatty acid amide hydrolase of rat brain membrane
50042228	1	ChEMBL_194806 (CHEMBL799889)	Negative logarithm of inhibitory concentration against bone resorption
50042229	1	ChEMBL_139782 (CHEMBL857186)	Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells
50042229	2	ChEMBL_139238 (CHEMBL857188)	Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells
50042229	3	ChEMBL_139239 (CHEMBL746454)	Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells; Not determined
50037206	2	ChEMBL_48051 (CHEMBL875886)	Inhibitory concentration against mouse constitutive androstane receptor (mCAR) activity was determined as pIC50
50013896	4	ChEMBL_69841 (CHEMBL857167)	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)
50013896	5	ChEMBL_69705 (CHEMBL680581)	Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME (M)
50042230	1	ChEMBL_84547 (CHEMBL692983)	Inhibitory activity against human Histamine H1 receptor
50037261	2	ChEMBL_28138 (CHEMBL644922)	Inhibitory activity towards Electrophorus electricus acetylcholinesterase
50037261	5	ChEMBL_27798 (CHEMBL636508)	Binding affinity tested against acetylcholinesterase in Torpedo californica
50014887	2	ChEMBL_87866 (CHEMBL857175)	Inhibitory activity against mouse Histone deacetylase 1 (HDAC1)
50014887	3	ChEMBL_87882 (CHEMBL698800)	Inhibitory activity against maize Histone deacetylase 2
50014321	2	ChEMBL_87881 (CHEMBL857176)	Inhibition of maize Histone deacetylase 2
50014321	3	ChEMBL_87871 (CHEMBL697293)	Inhibition of mouse HDAC1
50014813	1	ChEMBL_87864 (CHEMBL697287)	Inhibitory concentration gainst Histone deacetylase 1 derived from NIH3T3 cells
50037320	3	ChEMBL_66287 (CHEMBL678156)	Binding affinity towards recombinant FK506 binding protein 12 to determine the FKBP binding property of the compound
50042231	1	ChEMBL_307272 (CHEMBL831657)	In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages
50015182	6	ChEMBL_302906 (CHEMBL830367)	Inhibition of HCV NS3 protease in the pNA based inhibition assay
50042232	1	ChEMBL_306909 (CHEMBL828352)	Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) expressing chinese hamster ovary (CHO) cells
50042233	1	ChEMBL_305423 (CHEMBL830916)	Inhibition of VLA-4 receptor expressed in CHO cells
50016325	2	ChEMBL_307262 (CHEMBL830841)	In vitro inhibition of human gonadotropin-releasing hormone expressed in HEK293 cells
50042234	1	ChEMBL_307279 (CHEMBL831664)	Inhibition of hU-II-mediated [Ca2+]i mobilization in HEK293 cells expressing human recombinant Urotensin 2 receptor in FLIPR assay
50042234	2	ChEMBL_313638 (CHEMBL835782)	Inhibition of hU-II-mediated [Ca2+]i mobilization in HEK293 cells expressing human recombinant Urotensin 2 receptor in FLIPR assay
50042235	1	ChEMBL_307258 (CHEMBL830837)	Inhibition of [3H]PAF binding to platelet activating factor receptor in human platelet
50042236	1	ChEMBL_307280 (CHEMBL831665)	Negative log of inhibitory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)
50016585	6	ChEMBL_307257 (CHEMBL829162)	Inhibition of human Neurokinin 2 receptor
50042237	1	ChEMBL_305562 (CHEMBL828581)	Inhibition of VLA-4 receptor of Jurkat cells in BURJ assay
50042239	1	ChEMBL_307256 (CHEMBL875560)	In vitro inhibitory concentration against Prostaglandin G/H synthase 2 (COX-2)
50042240	1	ChEMBL_307253 (CHEMBL829159)	In vitro inhibitory activity against human erythrocyte acetylcholinesterase
50042240	2	ChEMBL_307248 (CHEMBL829154)	Inhibitory activity against human erythrocyte acetylcholinesterase
50042240	3	ChEMBL_307247 (CHEMBL875559)	In vitro inhibitory activity against bovine acetylcholinesterase
50042240	4	ChEMBL_307249 (CHEMBL829155)	Inhibitory activity against of human erythrocyte acetylcholinesterase
50037475	2	ChEMBL_304443 (CHEMBL832491)	Effective concentration required for the activation of human R287K mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	4	ChEMBL_304427 (CHEMBL832645)	Effective concentration required for the activation of human E209R mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	5	ChEMBL_304417 (CHEMBL831822)	Effective concentration required for the activation of human C296A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	6	ChEMBL_304451 (CHEMBL832499)	Effective concentration required for the activation of human T221A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	7	ChEMBL_304441 (CHEMBL832489)	Effective concentration required for the activation of human R287A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	8	ChEMBL_304442 (CHEMBL832490)	Effective concentration required for the activation of human R287E mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	9	ChEMBL_304439 (CHEMBL832487)	Effective concentration required for the activation of human R212A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	10	ChEMBL_304437 (CHEMBL832485)	Effective concentration required for the activation of human R128A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	11	ChEMBL_304486 (CHEMBL832866)	Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate is determined in separate experiment
50037475	12	ChEMBL_304419 (CHEMBL832637)	Effective concentration required for the activation of human D204E mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	13	ChEMBL_304423 (CHEMBL832641)	Effective concentration required for the activation of human D300A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	15	ChEMBL_304430 (CHEMBL832804)	Effective concentration required for the activation of human H132A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	16	ChEMBL_304428 (CHEMBL832646)	Effective concentration required for the activation of human F131A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	17	ChEMBL_304446 (CHEMBL832494)	Effective concentration required for the activation of human R310A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	18	ChEMBL_304420 (CHEMBL832638)	Effective concentration required for the activation of human D204N mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	20	ChEMBL_304453 (CHEMBL832501)	Effective concentration required for the activation of human Y136A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	21	ChEMBL_304452 (CHEMBL832500)	Effective concentration required for the activation of human T222A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	22	ChEMBL_304447 (CHEMBL832495)	Effective concentration required for the activation of human R310K mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	23	ChEMBL_304374 (CHEMBL829016)	Effective concentration to activate human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	24	ChEMBL_304418 (CHEMBL831823)	Effective concentration required for the activation of human D204A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	25	ChEMBL_304434 (CHEMBL832334)	Effective concentration required for the activation of human K198A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	30	ChEMBL_304424 (CHEMBL832642)	Effective concentration required for the activation of human E209A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	29	ChEMBL_304422 (CHEMBL832640)	Effective concentration required for the activation of human D289A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	28	ChEMBL_304373 (CHEMBL829015)	Effective concentration to activate human Y203F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	31	ChEMBL_304391 (CHEMBL830041)	Effective concentration to activate human Y203A (EL2) mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	32	ChEMBL_304429 (CHEMBL831974)	Effective concentration required for the activation of human F226A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	36	ChEMBL_304375 (CHEMBL829017)	Effective concentration to activate human Y273F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	37	ChEMBL_304425 (CHEMBL832643)	Effective concentration required for the activation of human E209D mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	35	ChEMBL_304433 (CHEMBL832333)	Effective concentration required for the activation of human K196A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	33	ChEMBL_304445 (CHEMBL832493)	Effective concentration required for the activation of human R301A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	40	ChEMBL_304435 (CHEMBL832335)	Effective concentration required for the activation of human K280A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	38	ChEMBL_304426 (CHEMBL832644)	Effective concentration required for the activation of human E209Q mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	39	ChEMBL_304377 (CHEMBL829019)	Effective concentration to activate human Y306F mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	44	ChEMBL_304416 (CHEMBL831821)	Effective concentration required for the activation of human C202A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	42	ChEMBL_304431 (CHEMBL832331)	Effective concentration required for the activation of human H277A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	43	ChEMBL_304449 (CHEMBL832497)	Effective concentration required for the activation of human S314T mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	45	ChEMBL_304432 (CHEMBL832332)	Effective concentration required for the activation of human K125A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	41	ChEMBL_304444 (CHEMBL832492)	Effective concentration required for the activation of human R287Q mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	46	ChEMBL_304324 (CHEMBL829296)	Effective concentration to activate wild-type P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	47	ChEMBL_304376 (CHEMBL829018)	Effective concentration to activate human Y306A mutant strain P2Y1 receptor expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	49	ChEMBL_304450 (CHEMBL832498)	Effective concentration required for the activation of human S317A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	48	ChEMBL_304436 (CHEMBL832336)	Effective concentration required for the activation of human Q307A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	50	ChEMBL_304440 (CHEMBL832488)	Effective concentration required for the activation of human R285A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	51	ChEMBL_304438 (CHEMBL832486)	Effective concentration required for the activation of human R195A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	54	ChEMBL_304415 (CHEMBL831820)	Effective concentration required for the activation of human C124A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	52	ChEMBL_304388 (CHEMBL830038)	Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	55	ChEMBL_304421 (CHEMBL832639)	Effective concentration required for the activation of human D208A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50037475	53	ChEMBL_304448 (CHEMBL832496)	Effective concentration required for the activation of human S314A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate
50042241	1	ChEMBL_313634 (CHEMBL835778)	Vasorelaxing potency in the presence of eserin was determined
50042241	2	ChEMBL_313631 (CHEMBL835775)	Vasorelaxing potency was determined
50037500	1	ChEMBL_302879 (CHEMBL828793)	Inhibitory potency against recombinant human placental S-Adenosyl-L-homocysteine Hydrolase
50042242	1	ChEMBL_307251 (CHEMBL829157)	Inhibitory concentration against Reverse transcriptase
50042243	1	ChEMBL_313640 (CHEMBL835784)	Glucocorticoid receptor mediated transrepression of NFkB reporter gene in human A549 lung epithelial cells
50042243	2	ChEMBL_313641 (CHEMBL835785)	Antagonist activity for Glucocorticoid receptor in MMTV transactivation assay in human A549 lung epithelial cells at 10 uM
50015979	2	ChEMBL_307268 (CHEMBL831653)	Log of inhibitory concentration against human immunodeficiency virus type 1 integrase
50037557	5	ChEMBL_302163 (CHEMBL829231)	Dissociation constant for [3H]-ORG2058 at human progesterone receptor at 283 K
50037557	4	ChEMBL_302168 (CHEMBL875181)	Dissociation constant for [3H]-ORG2058 at human progesterone receptor at 310K
50037557	8	ChEMBL_302162 (CHEMBL829230)	Dissociation constant for [3H]-ORG2058 at human progesterone receptor at 278 K
50037557	9	ChEMBL_302166 (CHEMBL829234)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 298 K
50037557	10	ChEMBL_302165 (CHEMBL829233)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 293K
50037557	14	ChEMBL_302161 (CHEMBL829229)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 273 K
50037557	20	ChEMBL_302164 (CHEMBL829232)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 288 K
50037557	16	ChEMBL_302134 (CHEMBL841758)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 303 K
50037557	24	ChEMBL_302167 (CHEMBL829235)	Dissociation constant for [3H]ORG2058 at human progesterone receptor at 308 K
50037600	1	ChEMBL_320708 (CHEMBL881694)	Dissociation constant against endo-polygalacturonase 1
50042244	1	ChEMBL_322552 (CHEMBL884378)	In vitro inhibition of CRF-stimulated cAMP production in cell membranes expressing human CRF1 receptor
50037621	14	ChEMBL_321178 (CHEMBL882907)	Inhibitory concentration against neutral endopeptidase
50037621	39	ChEMBL_320760 (CHEMBL884574)	Inhibition constant against endothelin converting enzyme 1
50037621	52	ChEMBL_320786 (CHEMBL884741)	Inhibition constant against nicotinic acetylcholine receptor alpha7
50041421	2	ChEMBL_321686 (CHEMBL872181)	Concentration required to inhibit the binding of [125I]-BH-CCK-8S radioligand to canine gastric mucosa CCK2 receptor
50001706	1	ChEBML_1733253	Inhibition of HO-2 in Sprague-Dawley albino rat brain microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins in presence of NADPH by biliverdin reductase enzyme coupled spectrophotometric assay
50042245	1	ChEMBL_321684 (CHEMBL872179)	Inhibitory concentration against P2Y purinoceptor 1 expressed in 1321N1 astrocytoma Cells; (n=3)
50042245	2	ChEMBL_321675 (CHEMBL872170)	Inhibitory concentration against P2Y2 receptor expressed in 1321N1 astrocytoma Cells; (n=3)
50042245	3	ChEMBL_321682 (CHEMBL872177)	Inhibitory concentration against human P2X purinoceptor 3 expressed in Xenopus laevis oocytes
50042245	4	ChEMBL_321676 (CHEMBL872171)	Inhibitory concentration against rat P2X purinoceptor 1 expressed in Xenopus laevis oocytes
50042245	5	ChEMBL_321681 (CHEMBL872176)	Inhibitory concentration against human P2X purinoceptor 1 expressed in Xenopus laevis oocytes
50042245	6	ChEMBL_321685 (CHEMBL872180)	Inhibitory concentration against P2Y11 receptor expressed in 1321N1 astrocytoma Cells; (n=7)
50042245	7	ChEMBL_321677 (CHEMBL872172)	Inhibitory concentration against rat P2X purinoceptor 2 expressed in Xenopus laevis oocytes
50042245	8	ChEMBL_321678 (CHEMBL872173)	Inhibitory concentration against rat P2X purinoceptor 3 expressed in Xenopus laevis oocytes
50037644	3	ChEMBL_327858 (CHEMBL863988)	Antagonism in muscarinic M3 receptor in guinea pig left atria
50042246	1	ChEMBL_329503 (CHEMBL861942)	Potency at muscarinic receptor M3 in guinea pig ileum
50018281	2	ChEMBL_2268607	Inhibition of human EZH2 in human MCF-10A cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by In-cell western assay
50018281	3	ChEMBL_2268610	Inhibition of GST-tagged full length human G9a (685 to 1000 residues) methylation activity expressed in Escherichia coli BL21 assessed as reduction in H3K9 level using H3(1 to 20 residues)-cys-biotin and SAM as substrate incubated for 60 mins by Dissociation enhanced lanthanide fluoro-immuno assay
50018283	1	ChEMBL_2268612	Inhibition of ROCK1 (unknown origin)
50018283	2	ChEMBL_2268613	Inhibition of ROCK2 (unknown origin)
50018283	3	ChEMBL_2268614	Inhibition of human ROCK1
50018283	4	ChEMBL_2268615	Inhibition of human ROCK2
50018284	1	ChEMBL_2268622	Inhibition of human recombinant LSD1/CoREST using ART(mK)QTARKSTGGKAPRKQLAGGK-biotin as substrate incubated for 15 mins
50018284	2	ChEMBL_2268639	Inhibition of MAO-A (unknown origin) incubated for 10 mins followed by MAO substrate addition and measured after 60 mins by luciferin-based luminescence assay
50018284	3	ChEMBL_2268640	Inhibition of MAO-B (unknown origin) incubated for 10 mins followed by MAO substrate addition and measured after 60 mins by luciferin-based luminescence assay
50018285	1	ChEMBL_2268665	Inhibition of human EGFR in presence of ATP by Kinase-Glo Plus luminescence kinase assay kit method
50018285	2	ChEMBL_2268666	Inhibition of human RET kinase
50018285	3	ChEMBL_2268669	Inhibition of human JAK2 using biotin as a substrate preincubated for 5 mins followed by substrate addition incubated for 30 mins in presence of ATP by fluorescence based assay
50018285	4	ChEMBL_2268670	Inhibition of human BTK using biotin as a substrate preincubated for 5 mins followed by substrate addition incubated for 30 mins in presence of ATP by fluorescence based assay
50018285	5	ChEMBL_2268682	Inhibition of EGFR (unknown origin) by EGFR Kinase Assay Kit method
50018285	6	ChEMBL_2268683	Inhibition of PDE5 (unknown origin)
50018286	1	ChEMBL_2268689	Inhibition of human VEGFR2 using TMB as substrate by ELISA
50018286	2	ChEMBL_2268691	Inhibition of GST-fused EGFR (unknown origin) in presence of ATP by microplate reader analysis
50018286	3	ChEMBL_2268692	Inhibition of beta-tubulin polymerization in human HCT-116 cells using TMB substrate by ELISA
50018286	4	ChEMBL_2268693	Inhibition of EGFR (unknown origin) phosphorylation by ELISA
50018286	5	ChEMBL_2268694	Inhibition of beta-tubulin polymerization (unknown origin) measured every 3 secs for 1 hr by spectrofluorometer
50018286	6	ChEMBL_2268700	Inhibition of EGFR (unknown origin)
50018286	7	ChEMBL_2268701	Inhibition of beta-tubulin polymerization (unknown origin) by ELISA
50042248	1	ChEMBL_337695 (CHEMBL867698)	Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method
50017600	6	ChEMBL_338816 (CHEMBL860548)	Displacement of [125I]MCP-1 from CCR2b expressed in CHO cells
50017600	4	ChEMBL_338818 (CHEMBL860550)	Displacement of [125I]TARC from CCR4 expressed in CHO cells
50017600	5	ChEMBL_338815 (CHEMBL860547)	Displacement of [125I]RANTES from CCR1 expressed in CHO cells
50017600	3	ChEMBL_338817 (CHEMBL860549)	Displacement of [125I]eotaxin from CCR3 expressed in CHO cells
50017600	2	ChEMBL_338819 (CHEMBL860704)	Displacement of [125I]MIP-3beta from CCR7 expressed in CHO cells
50042249	1	ChEMBL_338902 (CHEMBL861409)	Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells
50042250	1	ChEMBL_339377 (CHEMBL867214)	Displacement of [125I]PYY from human recombinant NPY1 receptor expressed in CHO cells
50042251	1	ChEMBL_341532 (CHEMBL861820)	Activity against human H3 receptor as measured by CRE-mediated beta galactosidase reporter gene assay in forskolin-stimulated SK-N-MC cells
50018286	8	ChEMBL_2268704	Inhibition of CDK (unknown origin)
50042252	1	ChEMBL_362747 (CHEMBL868154)	Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in CHO cells
50042252	2	ChEMBL_362749 (CHEMBL868156)	Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in CHO cells
50042252	3	ChEMBL_362745 (CHEMBL868152)	Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO cells
50042252	4	ChEMBL_362746 (CHEMBL868153)	Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in CHO cells
50042252	5	ChEMBL_362748 (CHEMBL868155)	Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in CHO cells
50042253	1	ChEMBL_366014 (CHEMBL853401)	Antagonist activity against PR beta-mediated transactivation of MMTV luciferase reporter gene in BacMam transduced progesterone-stimulated CV1 cells
50042254	1	ChEMBL_381432 (CHEMBL867937)	Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay
50042254	2	ChEMBL_381433 (CHEMBL867938)	Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay
50018022	6	ChEMBL_391256 (CHEMBL870452)	Antagonist activity against human TRPV1 assessed as inhibition of acid-induced calcium influx by FLIPR assay
50042255	1	ChEMBL_391803 (CHEMBL871566)	Antagonist activity against MCH1R expressed in CHO cells assessed as inhibition of MCH-induced EC80 thrombin response by luciferase reporter gene assay
50042256	1	ChEMBL_397361 (CHEMBL908026)	Antagonist activity against human MCHR1 expressed in CHO cells by luciferase reporter gene assay
50042257	1	ChEMBL_425377 (CHEMBL909072)	Displacement of [3H]DPCPX from human adenosine A1 receptor in CHO cells
50019628	2	ChEMBL_428515 (CHEMBL919872)	Antagonist activity against human CGRP1 expressed in HEK293 cells assessed as inhibition of human alpha-CGRP-promoted cAMP production
50037854	2	ChEMBL_430382 (CHEMBL915325)	Displacement of MT2 from mouse MC3R expressed in HEK293 cells
50037854	6	ChEMBL_430383 (CHEMBL915326)	Displacement of MT2 from mouse MC4R expressed in HEK293 cells
50042258	1	ChEMBL_438068 (CHEMBL906324)	Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 cell membrane
50042258	2	ChEMBL_438084 (CHEMBL887215)	Inhibition of human recombinant TP receptor expressed in CHO cells by calcium mobilisation assay
50042258	3	ChEMBL_438110 (CHEMBL887240)	Binding affinity to human EP4 receptor expressed in CHO cells
50020586	3	ChEMBL_439405 (CHEMBL888518)	Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity
50042260	1	ChEMBL_440937 (CHEMBL890027)	Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHO cell membranes
50042260	2	ChEMBL_440951 (CHEMBL890036)	Inhibition of EP4 receptor
50042260	3	ChEMBL_440950 (CHEMBL890041)	Inhibition of TP receptor
50001706	2	ChEBML_1733252	Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins in presence of NADPH by biliverdin reductase enzyme coupled spectrophotometric assay
50042261	1	ChEMBL_441184 (CHEMBL891403)	Inhibition of recombinant mGluR1a receptor expressed in CHO cells
50042262	1	ChEMBL_442036 (CHEMBL891175)	Inhibition of human erythrocyte recombinant AchE after 20 mins
50042262	2	ChEMBL_442037 (CHEMBL891176)	Inhibition of human serum recombinant BChE after 20 mins
50018286	9	ChEMBL_2268705	Inhibition of bovine brain tubulin polymerization incubated for 20 mins by spectrophotometric method
50018286	10	ChEMBL_2268709	Inhibition of human recombinant PDHK1 using KKKYHGHSMSDPGVSYRT as substrate incubated for 40 mins in presence of Mg/ATP mix by [gamma-32P]-ATP based scintillation counting analysis
50018286	11	ChEMBL_2268710	Inhibition of human DNA topoisomerase 2-beta
50042263	1	ChEMBL_444282 (CHEMBL894522)	Displacement of [125I]C3a from human C3a receptor expressed in HMC1 cells co-expressing aequorin
50042263	2	ChEMBL_444288 (CHEMBL894528)	Antagonist activity at human C3a receptor expressed in HMC1 cells co-expressing aequorin
50042264	1	ChEMBL_445692 (CHEMBL895980)	Antagonist activity at mouse NPSR expressed in HEK293 cells assessed as inhibition of 100 nM hNPS-induced calcium mobilization
50042264	2	ChEMBL_445691 (CHEMBL895979)	Antagonist activity at mouse NPSR expressed in HEK293 cells assessed as inhibition of 10 nM hNPS-induced calcium mobilization
50042265	1	ChEMBL_446074 (CHEMBL895169)	Inhibition of oxidosqualene cyclase
50042266	1	ChEMBL_446786 (CHEMBL897085)	Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHO cells
50042267	1	ChEMBL_447921 (CHEMBL898171)	Antagonist activity at human GnRHR expressed in CHO cells after 30 mins by luciferase reporter gene assay
50042268	1	ChEMBL_448641 (CHEMBL897788)	Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexamethasone-induced activation
50042268	2	ChEMBL_448638 (CHEMBL897790)	Binding affinity to glucocorticoid receptor
50042268	3	ChEMBL_448639 (CHEMBL897791)	Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay
50037986	6	ChEMBL_450061 (CHEMBL899156)	Binding affinity to muscarinic M3 receptor in guinea-pig ileum
50042269	1	ChEMBL_453004 (CHEMBL901144)	Binding affinity to human recombinant CB1 receptor
50041523	3	ChEMBL_454123 (CHEMBL902280)	Inhibition of CYP1A2
50041523	4	ChEMBL_454122 (CHEMBL902279)	Inhibition of FP receptor
50041523	5	ChEMBL_454125 (CHEMBL902282)	Inhibition of CYP2C19
50041523	6	ChEMBL_454124 (CHEMBL902281)	Inhibition of CYP2C9
50042271	1	ChEMBL_454278 (CHEMBL903462)	Antagonist activity at human recombinant CCR8 expressed in RBL cells assessed as inhibition of I-309-induced intracellular calcium mobilization by FLIPR assay
50042271	2	ChEMBL_454279 (CHEMBL903461)	Antagonist activity at human recombinant CCR8 expressed in HUT78 cells assessed as I309-mediated migration by chemotaxis assay
50042271	3	ChEMBL_454284 (CHEMBL903467)	Inhibition of hERG
50042271	4	ChEMBL_454291 (CHEMBL902420)	Antagonist activity at human recombinant CCR8 expressed in Th2 cells assessed as I309 mediated migration by chemotaxis assay
50042272	1	ChEMBL_455671 (CHEMBL886454)	Antagonist activity at human recombinant P2X7 receptor
50042272	2	ChEMBL_455673 (CHEMBL886456)	Antagonist activity at rat recombinant P2X7 receptor
50042273	1	ChEMBL_456080 (CHEMBL888089)	Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane
50042273	2	ChEMBL_456079 (CHEMBL888088)	Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane
50042273	3	ChEMBL_456084 (CHEMBL888093)	Binding affinity to human recombinant sst4 receptor
50042273	4	ChEMBL_456083 (CHEMBL888092)	Binding affinity to human recombinant sst3 receptor
50042273	5	ChEMBL_456086 (CHEMBL888095)	Binding affinity to human dopamine D4 receptor
50042273	6	ChEMBL_456081 (CHEMBL888090)	Binding affinity to human recombinant sst1 receptor
50042273	7	ChEMBL_456087 (CHEMBL888096)	Binding affinity to human 5HT1D receptor
50042273	8	ChEMBL_456088 (CHEMBL888097)	Binding affinity to human adrenergic beta-1 receptor
50042273	9	ChEMBL_456085 (CHEMBL888094)	Binding affinity to human recombinant sst5 receptor
50042273	10	ChEMBL_456082 (CHEMBL888091)	Binding affinity to human recombinant sst2 receptor
50042274	1	ChEMBL_456105 (CHEMBL888114)	Displacement of [125I]SRIF14 from rat sst2 receptor from rat brain cortex membrane
50042274	2	ChEMBL_456104 (CHEMBL888113)	Displacement of [125I]SRIF14 from rat sst1 receptor from rat brain cortex membrane
50042275	1	ChEMBL_457005 (CHEMBL923348)	Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane
50042276	1	ChEMBL_457631 (CHEMBL923908)	Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation
50042277	1	ChEMBL_457690 (CHEMBL925013)	Antagonist activity at human CRTH2 receptor assessed as inhibition of PGD2-induced signaling by inositol-phosphate assay
50042277	2	ChEMBL_457692 (CHEMBL925015)	Displacement of [3H]TRQ11238 from human CRTH2 receptor expressed in HEK293 cells
50041531	2	ChEMBL_458146 (CHEMBL925479)	Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay
50041531	3	ChEMBL_458148 (CHEMBL925481)	Inhibition of P-glycoprotein by Hoechst assay
50018286	12	ChEMBL_2268711	Inhibition of VEGFR2 (unknown origin) by ELISA
50018286	13	ChEMBL_2268712	Inhibition of EGFR (unknown origin) by ELISA
50018286	14	ChEMBL_2268713	Inhibition of human DNA topoisomerase 1 incubated for 2 hrs by ELISA
50018286	15	ChEMBL_2268716	Inhibition of EGFR (unknown origin) phosphorylation using kit-tyr4 peptide as substrate incubated for 1 hr in presence of ATP by UV-Vis spectrophotometer
50041531	1	ChEMBL_458147 (CHEMBL925480)	Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay
50018286	16	ChEMBL_2268718	Inhibition of human topoisomerase 2 alpha assessed as relaxation of supercoiled plasmid pBR322 DNA incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis
50042278	1	ChEMBL_458342 (CHEMBL941676)	Binding affinity to human CCK1 receptor
50042279	1	ChEMBL_458932 (CHEMBL924951)	Inhibition of MMP9
50042279	2	ChEMBL_458931 (CHEMBL924950)	Inhibition of MMP2
50042279	3	ChEMBL_458939 (CHEMBL924958)	Inhibition of MMP3
50042279	4	ChEMBL_458930 (CHEMBL924949)	Inhibition of MMP1
50042279	5	ChEMBL_458933 (CHEMBL924952)	Inhibition of MMP13
50042279	6	ChEMBL_458938 (CHEMBL924957)	Inhibition of MMP12
50042279	7	ChEMBL_458935 (CHEMBL924954)	Inhibition of human MMP1
50042279	8	ChEMBL_458936 (CHEMBL924955)	Inhibition of human recombinant MMP3
50042279	9	ChEMBL_458937 (CHEMBL924956)	Inhibition of MMP8
50042279	10	ChEMBL_458940 (CHEMBL925034)	Inhibition of MMP7
50042279	11	ChEMBL_458934 (CHEMBL924953)	Inhibition of MMP14
50042280	1	ChEMBL_458941 (CHEMBL925035)	Inhibition of mouse thymidylate synthase in mouse L1210 cells
50021946	4	ChEMBL_461856 (CHEMBL927849)	Inhibition of human NEU3 expressed in HEK293 cells
50042281	1	ChEMBL_461985 (CHEMBL944828)	Displacement of [125I]SRIF14 from sst1 receptor in rat cortex
50042281	2	ChEMBL_461986 (CHEMBL944829)	Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex
50042281	3	ChEMBL_461989 (CHEMBL944832)	Binding affinity to human recombinant sst3 receptor
50042281	4	ChEMBL_461987 (CHEMBL944830)	Binding affinity to human recombinant sst1 receptor
50042281	5	ChEMBL_461991 (CHEMBL944834)	Binding affinity to human recombinant sst5 receptor
50042281	6	ChEMBL_461990 (CHEMBL944833)	Binding affinity to human recombinant sst4 receptor
50042281	7	ChEMBL_461996 (CHEMBL944839)	Binding affinity to human dopamine D2 receptor
50042281	8	ChEMBL_461988 (CHEMBL944831)	Binding affinity to human recombinant sst2 receptor
50042281	9	ChEMBL_461998 (CHEMBL944841)	Binding affinity to human 5HT1A receptor
50042281	10	ChEMBL_461997 (CHEMBL944840)	Binding affinity to human dopamine D4 receptor
50041538	2	ChEMBL_465785 (CHEMBL948147)	Antagonist activity at CCR8 receptor
50038192	2	ChEMBL_466182 (CHEMBL947946)	Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1
50042282	1	ChEMBL_466706 (CHEMBL922711)	Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin
50042283	1	ChEMBL_468124 (CHEMBL934144)	Displacement of [3H]PGE2 from EP1 receptor
50042284	1	ChEMBL_468579 (CHEMBL931097)	Inhibition of human ERG
50042285	1	ChEMBL_469044 (CHEMBL929996)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by wash-resistant binding method
50042285	2	ChEMBL_469046 (CHEMBL929998)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells at pH 8 in continuous presence of radioligand
50042285	3	ChEMBL_469047 (CHEMBL929999)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells at pH 6 by wash-resistant binding method
50042285	4	ChEMBL_469048 (CHEMBL930000)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells at pH 8 by wash-resistant binding method
50042285	5	ChEMBL_469045 (CHEMBL929997)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells at pH 6 in continuous presence of radioligand
50042285	6	ChEMBL_469043 (CHEMBL929995)	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells in continuous presence of radioligand
50038325	3	ChEMBL_470071 (CHEMBL933449)	Inhibition of integrin alpha-4-beta-1-VCAM interaction
50042286	1	ChEMBL_475196 (CHEMBL925737)	Binding affinity to human serum albumin by PAMPA method
50042286	2	ChEMBL_475202 (CHEMBL925743)	Binding affinity to 50 uM human serum albumin at 10 uM by PAMPA method
50042286	3	ChEMBL_475203 (CHEMBL925744)	Binding affinity to 100 uM human serum albumin at 10 uM by PAMPA method
50042286	4	ChEMBL_475204 (CHEMBL925745)	Binding affinity to 300 uM human serum albumin at 10 uM by PAMPA method
50042286	5	ChEMBL_475206 (CHEMBL925747)	Binding affinity to 100 uM human serum albumin at 50 uM by PAMPA method
50042286	6	ChEMBL_475205 (CHEMBL925746)	Binding affinity to 600 uM human serum albumin at 10 uM by PAMPA method
50042287	1	ChEMBL_478538 (CHEMBL923500)	Inhibition of jack bean urease
50038521	4	ChEMBL_479798 (CHEMBL930368)	Inhibition of human recombinant urotensin 2 receptor-mediated calcium mobilization expressed in HEK293 cells by FLIPR assay
50018286	17	ChEMBL_2268727	Inhibition of HDAC1 (unknown origin)
50026070	1	ChEMBL_552334 (CHEMBL1006006)	Inhibition of human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles
50026404	1	ChEMBL_491426 (CHEMBL948521)	Inhibition of Trypanosoma cruzi recombinant trypanothione reductase-substrate complex
50026793	4	ChEMBL_510176 (CHEMBL1002249)	Inhibition of human recombinant CYP17 expressed in Escherichia coli
50027752	5	ChEMBL_537840 (CHEMBL989841)	Inhibition of human CYP17 expressed in Escherichia coli
50038702	3	ChEMBL_561969 (CHEMBL1010032)	Binding affinity to human GalR1
50027784	10	ChEMBL_556978 (CHEMBL958164)	Inhibition of CCR7
50027060	8	ChEMBL_512778 (CHEMBL971589)	Inhibition of human recombinant CYP17 expressed in Escherichia coli pJL17/OR
50027060	3	ChEMBL_512790 (CHEMBL971601)	Inhibition of human recombinant CYP2D6 expressed in baculovirus-infected insect microsomes
50038776	9	ChEMBL_493246 (CHEMBL948476)	Inhibition of radiolabeled noradrenaline uptake from rat brain NET
50041723	2	ChEMBL_498173 (CHEMBL980705)	Binding affinity to human recombinant NK1 receptor expressed in CHO cells assessed as dissociation constant
50041730	1	ChEMBL_570759 (CHEMBL1026934)	Inhibition of Chk1
50030379	1	ChEMBL_578231 (CHEMBL1051546)	Antagonist activity at human neuropeptide Y2 receptor
50001706	3	ChEMBL_1733252 (CHEMBL4148788)	Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins in presence of NADPH by biliverdin reductase enzyme coupled spectrophotometric assay
50001707	1	ChEMBL_1733255 (CHEMBL4148791)	Inhibition of human mitotic kinesin Eg5 motor domain (1 to 368 residues) assessed as reduction in steady-state basal ATPase activity using ATP as substrate by pyruvate kinase/lactate dehydrogenase enzyme coupled assay
50001707	2	ChEMBL_1733256 (CHEMBL4148792)	Inhibition of mitotic kinesin Eg5 (unknown origin)
50001708	1	ChEMBL_1733752 (CHEMBL4149288)	Inhibition of human HDAC1 by ELISA
50001708	2	ChEMBL_1733753 (CHEMBL4149289)	Inhibition of human HDAC2 by ELISA
50001708	3	ChEMBL_1733754 (CHEMBL4149290)	Inhibition of HDAC3 (unknown origin) by ELISA
50001708	4	ChEMBL_1733755 (CHEMBL4149291)	Inhibition of HDAC8 (unknown origin) by ELISA
50001709	1	ChEMBL_1733794 (CHEMBL4149330)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADP
50001710	1	ChEMBL_1733809 (CHEMBL4149345)	Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 mins by [32P]PPi-ATP exchange based scintillation counting analysis
50001711	1	ChEMBL_1733843 (CHEMBL4149379)	Inhibition of recombinant human NQO1 expressed in Escherichia coli using DCPIP as substrate assessed as rate of reduction of DCPIP in presence of NADH after 5 mins by spectrophotometric analysis
50001711	2	ChEMBL_1733845 (CHEMBL4149381)	Inhibition of recombinant human NQO1 in presence of NADPH measured at 2 sec intervals for 5 mins
50001711	3	ChEMBL_1733841 (CHEMBL4149377)	Competitive binding affinity to rat liver NQO1 in presence of NADPH
50001712	1	ChEMBL_1733858 (CHEMBL4149394)	Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by LANCE assay
50001712	2	ChEMBL_1733854 (CHEMBL4149390)	Inhibition of PHD2 (unknown origin)
50001712	3	ChEMBL_1733865 (CHEMBL4149401)	Inhibition of human PHD2 expressed in 293FT cells using HIF-1 [alpha] as substrate after 20 mins by fluorescence polarization assay
50001712	4	ChEMBL_1733857 (CHEMBL4149393)	Inhibition of FLAG- tagged full length HIF-PHD2 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by LANCE assay
50001712	5	ChEMBL_1733855 (CHEMBL4149391)	Inhibition of PHD3 (unknown origin)
50001712	6	ChEBML_1733850	Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate
50001712	7	ChEBML_1733869	Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by LANCE assay
50001712	8	ChEMBL_1733869 (CHEMBL4149405)	Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by LANCE assay
50001712	9	ChEMBL_1733891 (CHEMBL4149427)	Inhibition of N-terminal truncated PHD2 (unknown origin) using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate by AlphaScreen assay
50001712	10	ChEMBL_1733850 (CHEMBL4149386)	Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate
50001712	11	ChEMBL_1733860 (CHEMBL4149396)	Inhibition of PHD1 (unknown origin)
50001712	12	ChEBML_1733850	Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate
50001712	13	ChEMBL_1733868 (CHEMBL4149404)	Inhibition of FLAG- tagged full length HIF-PHD1 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by LANCE assay
50001712	14	ChEBML_1733860	Inhibition of PHD1 (unknown origin)
50001712	17	ChEMBL_1733876 (CHEMBL4149412)	Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins by TR-FRET assay
50001712	19	ChEBML_1733872	Inhibition of human ERG
50001712	16	ChEBML_1733869	Inhibition of FLAG- tagged full length HIF-PHD3 (unknown origin) expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by LANCE assay
50002367	2	ChEMBL_1760480 (CHEMBL4195488)	Inhibition of TNFR in TLR null HEK-blue cells assessed as decrease in TNFalpha-stimulated NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay
50002367	3	ChEMBL_1760482 (CHEMBL4195490)	Inhibition of PKC in TLR null HEK-blue cells assessed as inhibition of PMA-induced NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay
50002367	4	ChEMBL_1760483 (CHEMBL4195491)	Inhibition of PKC in HEK-blue cells expressing human TLR7 assessed as inhibition of PMA-induced NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay
50002367	5	ChEMBL_1760481 (CHEMBL4195489)	Inhibition of IL1R in TLR null HEK-blue cells assessed as decrease in IL-1beta-stimulated NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay
50002368	1	ChEMBL_1760541 (CHEMBL4195549)	Inhibition of CYP3A5 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50002368	2	ChEMBL_1760535 (CHEMBL4195543)	Inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting method
50002368	3	ChEMBL_1760536 (CHEMBL4195544)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50002368	4	ChEMBL_1760537 (CHEMBL4195545)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50002368	5	ChEMBL_1760538 (CHEMBL4195546)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50002368	6	ChEMBL_1760517 (CHEMBL4195525)	Inhibition of human ERG expressed in CHO cells at 10 nM to 10 uM at holding potential of -80 mV measured after 5 mins by QPatch automated patch clamp electrophysiology method
50002368	7	ChEMBL_1760513 (CHEMBL4195521)	Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting method
50002368	8	ChEMBL_1760539 (CHEMBL4195547)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50002368	9	ChEMBL_1760540 (CHEMBL4195548)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 7 mins in presence of NADPH by LC-MS/MS analysis
50002368	10	ChEMBL_1760514 (CHEMBL4195522)	Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting method
50042290	1	ChEMBL_593184 (CHEMBL1044939)	Inhibition of europium labeled human VCAM1/Fc chimera binding to human VLA-4 alpha-4-beta-1 expressed in Chinese hamster 4B4 cells in presence of 3% HSA by fluorimetric assay
50042290	2	ChEMBL_593183 (CHEMBL1044938)	Inhibition of europium labeled human VCAM1/Fc chimera binding to human VLA-4 alpha-4-beta-1 expressed in Chinese hamster 4B4 cells by fluorimetric assay
50030695	1	ChEMBL_592726 (CHEMBL1042397)	Inhibition of GCK
50030699	6	ChEMBL_592909 (CHEMBL1048412)	Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay
50042291	1	ChEMBL_599863 (CHEMBL1043646)	Displacement of [35S]-labeled ligand from VLA4 in human Jurkat cells washed with buffer containing non activating Ca2+ and Mg2+ by competitive binding assay
50042291	2	ChEMBL_599864 (CHEMBL1043647)	Receptor occupancy of VLA4 in whole blood washed with buffer containing non activating Ca2+ and Mg2+ at 37 degC after 3 hrs
50042291	3	ChEMBL_599865 (CHEMBL1043648)	Inhibition of VLA4 in human whole blood
50042291	4	ChEMBL_599342 (CHEMBL1043683)	Displacement of [35S]-labeled ligand from VLA4 in human Jurkat cells washed with buffer containing activating Mn2+ by competitive binding assay
50042292	1	ChEMBL_596272 (CHEMBL1050688)	Binding affinity to Haemophilus influenzae O-acetylserine sulfhydrylase expressed in Escherichia coli BL21 (DE3) by fluorescence emission spectra analysis
50030923	3	ChEMBL_601860 (CHEMBL1040721)	Antagonist activity at wild type rat NR1/NR2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current by two electrode voltage clamp method
50030923	4	ChEMBL_601849 (CHEMBL1040710)	Antagonist activity at rat recombinant NR1/NR2C receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current by two electrode voltage clamp method
50030923	5	ChEMBL_601843 (CHEMBL1045139)	Antagonist activity at rat recombinant NR1/NR2B receptor expressed in frog oocytes assessed as inhibition of glutamate/glycine-induced current by two electrode voltage clamp method
50030923	6	ChEMBL_601848 (CHEMBL1040709)	Antagonist activity at rat recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current by two electrode voltage clamp method
50030925	2	ChEMBL_602176 (CHEMBL1044713)	Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting
50042293	1	ChEMBL_605952 (CHEMBL1069896)	Binding affinity to integrin alpha2bbeta3 receptor by ELISA
50042293	2	ChEMBL_605951 (CHEMBL1069895)	Binding affinity to integrin alpha5beta5 receptor by ELISA
50042293	3	ChEMBL_605950 (CHEMBL1069894)	Binding affinity to integrin alpha5beta3 receptor by ELISA
50042293	4	ChEMBL_605949 (CHEMBL1068566)	Binding affinity to integrin alpha5beta1 receptor by ELISA
50042294	1	ChEMBL_606614 (CHEMBL1071250)	Inhibition of CDK6/Cyclin D1 by FRET assay
50039033	3	ChEMBL_603583 (CHEMBL1071135)	Inhibition of alpha4beta2 nAChR
50042295	1	ChEMBL_603785 (CHEMBL1042923)	Inhibition of integrin alpha5beta1 receptor by ELISA
50042295	2	ChEMBL_603786 (CHEMBL1042924)	Inhibition of integrin alpha5beta3 receptor by ELISA
50042295	3	ChEMBL_603787 (CHEMBL1042925)	Inhibition of integrin alpha5beta5 receptor by ELISA
50042295	4	ChEMBL_603788 (CHEMBL1042926)	Inhibition of integrin alpha2bbeta3 receptor by ELISA
50042295	5	ChEMBL_603789 (CHEMBL1042927)	Inhibition of integrin alpha5beta1 receptor-mediated HEK293 cell adhesion
50031064	5	ChEMBL_609578 (CHEMBL1073831)	Inhibition of electric eel AChE
50042296	1	ChEMBL_610945 (CHEMBL1069664)	Displacement of [125I]echistatin from alphaVbeta3 receptor in human EA-Hy926 cells by gamma-counting
50042297	1	ChEMBL_612601 (CHEMBL1064251)	inhibition of CDK9/CyclinT1
50042297	2	ChEMBL_612597 (CHEMBL1064247)	inhibition of CDK1/Cyclin B
50042297	3	ChEMBL_612600 (CHEMBL1064250)	inhibition of CDK7/Cyclin H/MAT1
50039055	7	ChEMBL_608738 (CHEMBL1067751)	Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry
50031150	4	ChEMBL_610773 (CHEMBL1064408)	Antagonist activity at human alpha4beta2 nAChR receptor expressed in human SH-SY5Y cells assessed as inhibition of carbamylcholine-induced 86Rb+ efflux by liquid scintillation counting
50031190	2	ChEMBL_607331 (CHEMBL1064847)	Inhibition of integrin alphaVbeta3 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue staining
50031190	3	ChEMBL_607330 (CHEMBL1064846)	Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue staining
50031190	4	ChEMBL_607329 (CHEMBL1064845)	Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A2780 cells to vitronectin after 1 hr by toluidine blue staining
50031190	5	ChEMBL_607328 (CHEMBL1064844)	Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma counting
50031190	6	ChEMBL_607327 (CHEMBL1064843)	Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma counting
50042299	1	ChEMBL_607599 (CHEMBL1065531)	Displacement of [3H]flunitrezepam from GABA-A alpha-1-beta-2-gamma-2 receptor by liquid scintillation counting
50042299	2	ChEMBL_607600 (CHEMBL1065532)	Displacement of [3H]flunitrezepam from GABA-A alpha-2-beta-2-gamma-2 receptor by liquid scintillation counting
50031323	1	ChEMBL_619858 (CHEMBL1106735)	Inhibition of human leukocyte elastase by substrate hydrolysis based fluorescence assay
50039157	33	ChEMBL_633014 (CHEMBL1118239)	Antagonist activity at mouse TRPA1 channel expressed in CHO cells assessed as blockade of agonist-induced whole cell conductance by electrophysiology
50039180	4	ChEMBL_639005 (CHEMBL1168988)	Inhibition of human uridine 5'-monophosphate synthase after overnight incubation at room temperature by UV spectroscopy
50031930	1	ChEMBL_640033 (CHEMBL1174247)	Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyridine-3-aldehyde reduction
50042300	1	ChEMBL_641938 (CHEMBL1176015)	Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis
50039240	3	ChEMBL_642747 (CHEMBL1177227)	Inhibition of CYP24A1 in human epidermal keratinocytes
50042301	1	ChEMBL_660937 (CHEMBL1249604)	Inhibition of Integrin alpha-4-beta-1-mediated adhesion in human jurkat cells
50032219	2	ChEMBL_654571 (CHEMBL1243615)	Displacement of [3H]menthol from human TRPM8 expressed in HEK293 cell membranes by scintillation counting
50032219	3	ChEMBL_654578 (CHEMBL1243622)	Binding affinity to human TRPM8 expressed in HEK293 cell membranes
50032219	1	ChEMBL_654562 (CHEMBL1243606)	Activity at human TRPM8 expressed in HEK293 cells assessed as compound concentration causing leftward shift of voltage for half maximal activation
50002369	1	ChEMBL_1760554 (CHEMBL4195562)	Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay
50002369	2	ChEMBL_1760555 (CHEMBL4195563)	Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay
50002369	3	ChEMBL_1760577 (CHEMBL4195585)	Inhibition of Tracer Red binding to human ERG in membranes after 2 hrs by fluorescence polarization assay
50002369	4	ChEMBL_1760557 (CHEMBL4195565)	Inhibition of DNMT1 (unknown origin)
50002369	5	ChEMBL_1760556 (CHEMBL4195564)	Inhibition of G9a (unknown origin)
50002369	6	ChEMBL_1760558 (CHEMBL4195566)	Inhibition of GLP (unknown origin)
50002370	1	ChEMBL_1760593 (CHEMBL4195601)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation counting analysis
50002370	2	ChEMBL_1760594 (CHEMBL4195602)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta scintillation counting analysis
50002370	3	ChEMBL_1760595 (CHEMBL4195603)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta scintillation counting analysis
50002370	4	ChEMBL_1760592 (CHEMBL4195600)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta scintillation counting analysis
50002370	5	ChEMBL_1760599 (CHEMBL4195607)	Displacement of [3H]5-CT from recombinant human 5-HT7 receptor expressed in COS-7 cell membranes after 30 mins by liquid scintillation counting method
50002371	1	ChEMBL_1760632 (CHEMBL4195640)	Inhibition of recombinant human MMP2 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluorescence assay
50002371	2	ChEMBL_1760639 (CHEMBL4195647)	Inhibition of recombinant human MMP9 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluorescence assay
50002371	3	ChEMBL_1760638 (CHEMBL4195646)	Inhibition of recombinant human MMP3 preincubated for 30 mins followed by McaPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition measured by fluorescence assay
50002371	4	ChEMBL_1760640 (CHEMBL4195648)	Binding affinity to MMP9 (unknown origin) by SPR assay
50002372	1	ChEMBL_1760657 (CHEMBL4195665)	Agonist activity at human PTHR1 expressed in HKRKB7 cells assessed as accumulation of intracellular cAMP after 20 mins by enzyme immunoassay
50002372	2	ChEMBL_1760656 (CHEMBL4195664)	Displacement of 125I-PTH (1 to 15 residues) from human PTHR1 expressed in African green monkey COS7 cell membranes at 300 uM after 90 mins by gamma counting analysis
50002373	1	ChEMBL_1760683 (CHEMBL4195691)	Inhibition of full-length GST-tagged mouse BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins by Nu-page gel-based phosphor screen analysis
50002374	1	ChEMBL_1760740 (CHEMBL4195748)	Inhibition of NIK (unknown origin) expressed in baculovirus infected insect cells assessed as reduction in hydrolysis of ATP to ADP after 1 to 2 hrs by ADP-MR121 633 tracer based fluorescence polarization assay
50002374	2	ChEMBL_1760741 (CHEMBL4195749)	Inhibition of NIK (unknown origin) expressed in HEK293 cells harboring NFkB-Luc assessed as reduction in NFkB signal after 24 hrs by luciferase reporter gene assay
50002374	3	ChEMBL_1760761 (CHEMBL4195769)	Inhibition of TNFalpha-induced nuclear translocation of NFkB RelA in human HeLa cells preincubated for 4.5 hrs followed by TNFalpha stimulation for 30 mins by DRAQ5 DNA staining based high content cellular imaging analysis
50002374	4	ChEMBL_1760758 (CHEMBL4195766)	Inhibition of NIK in human HeLa cells assessed as inhibition of non-classical NFkB signaling by measuring reduction in nuclear translocation of p52 preincubated with cells followed by LT-betaR antibody stimulation for 5 hrs by DRAQ5 DNA staining based high content cellular imaging analysis
50002375	1	ChEMBL_1760800 (CHEMBL4195808)	Inhibition of human ERG by fluorescence polarization assay
50002375	2	ChEMBL_1760791 (CHEMBL4195799)	Antagonist activity at prolink-tagged TrkA in human U2OS cells assessed as inhibition of beta-NGF-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by beta-NGF stimulation measured after 2 hrs by PathHunter enzyme complementation assay
50002375	3	ChEMBL_1760792 (CHEMBL4195800)	Antagonist activity at prolink-tagged TrkB in human U2OS cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by BDNF stimulation measured after 2 hrs by PathHunter enzyme complementation assay
50002375	4	ChEMBL_1760793 (CHEMBL4195801)	Antagonist activity at prolink-tagged TrkC in human U2OS cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by NT3 stimulation measured after 2 hrs by PathHunter enzyme complementation assay
50002375	5	ChEMBL_1760801 (CHEMBL4195809)	Inhibition of human ERG by patch express assay
50002375	6	ChEMBL_1760815 (CHEMBL4195823)	Binding affinity to un phosphorylated C-terminal His6/N-terminal BAP-tagged TrkA (441 to 796 residues) (unknown origin) by SPR assay
50002375	8	ChEMBL_1760814 (CHEMBL4195822)	Binding affinity to un phosphorylated C-terminal His6/N-terminal BAP-tagged TrkA (441 to 796 residues) (unknown origin) assessed as dissociation rate constant by SPR assay
50002375	9	ChEMBL_1760808 (CHEMBL4195816)	Antagonist activity at alpha1A adrenergic receptor (unknown origin)
50002376	1	ChEMBL_1760899 (CHEMBL4195907)	Inhibition of CYP3A4 in human liver microsomes assessed as decrease in midazolam 1-hydroxylation by LC-MS/MS analysis
50002376	2	ChEMBL_1760893 (CHEMBL4195901)	Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression system using PI lipid kinase substrate after 60 mins by ADP-Glo assay
50002376	3	ChEMBL_1760892 (CHEMBL4195900)	Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treated human RPMI1788 cells-stimulated lymphocyte proliferation by measuring reduction in [3H]thymidine incorporation preincubated for 5 days followed by [3H]thymidine addition measured after 18 hrs by liquid scintillation counting method
50041859	3	ChEMBL_665337 (CHEMBL1261014)	Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay
50039311	3	ChEMBL_679989 (CHEMBL1280937)	Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate
50032753	4	ChEMBL_698313 (CHEMBL1646909)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate
50042302	1	ChEMBL_698608 (CHEMBL1647881)	Binding affinity to bovine carbonic anhydrase 2
50042302	2	ChEMBL_698609 (CHEMBL1647882)	Binding affinity to human carbonic anhydrase 2
50041895	1	ChEMBL_727812 (CHEMBL1686295)	Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis
50039401	1	ChEMBL_730589 (CHEMBL1695310)	Inhibition of human MDR1-mediated digoxin permeability expressed in pig LLC-PK1 cells
50033106	4	ChEMBL_735120 (CHEMBL1694076)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone as a substrate
50041904	9	ChEMBL_741028 (CHEMBL1764214)	Binding affinity to FLT3 assessed as dissociation constant
50033212	7	ChEMBL_742206 (CHEMBL1768376)	Inhibition of human CYP2D6 expressed in baculovirus-infected insect microsomes
50033212	9	ChEMBL_742288 (CHEMBL1768621)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate
50039409	2	ChEMBL_743290 (CHEMBL1767489)	Inhibition of human 5'-monophosphate decarboxylase by VP-ITC microcalorimeter
50041910	6	ChEMBL_744773 (CHEMBL1772794)	Antagonist activity at FPR1 in human neutrophils assessed as inhibition of fMLF-stimulated degranulation after 15 mins by fluorescence assay
50041910	7	ChEMBL_744770 (CHEMBL1772791)	Antagonist activity at mouse FPR1 expressed in HEK293 cells assessed as inhibition of fMLFF-stimulated intracellular calcium mobilisation by FLIPR assay
50041910	8	ChEMBL_744769 (CHEMBL1772790)	Antagonist activity at human FPR1 in expressed in HEK293 cells assessed as inhibition of fMLF-stimulated intracellular calcium mobilisation after 5 mins by FLIPR assay
50033343	1	ChEMBL_746380 (CHEMBL1776339)	Binding affinity to emopamil binding protein
50041928	1	ChEMBL_757614 (CHEMBL1804871)	Inhibition of mouse PDE10A assessed as inhibition of hydrolysis of [3H]cGMP to [3H]GMP after 20 mins by scintillation counting
50039468	15	ChEMBL_761947 (CHEMBL1817466)	Displacement of [3H]BRL43694 from human 5HT3 receptor
50042303	1	ChEMBL_765932 (CHEMBL1827948)	Binding affinity to ABCB1 nucleotide binding domain 2
50002376	5	ChEMBL_1760894 (CHEMBL4195902)	Inhibition of PI4K3beta (unknown origin)
50042304	1	ChEMBL_770401 (CHEMBL1833710)	Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50042304	5	ChEMBL_770403 (CHEMBL1833712)	Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence correlation spectroscopic analysis
50002376	6	ChEMBL_1760957 (CHEMBL4195965)	Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in baculovirus expression system
50002376	7	ChEMBL_1760895 (CHEMBL4195903)	Inhibition of PI4K3alpha (unknown origin)
50042305	1	ChEMBL_770289 (CHEMBL1833598)	Antagonist activity at alpha4beta1 integrin
50002377	1	ChEMBL_1761002 (CHEMBL4196249)	Inhibition of human alpha-glucosidase expressed in Saccharomyces cerevisiae using p-nitrophenyl-alpha-D-glucopyranoside as substrate after 15 mins
50002377	2	ChEMBL_1761008 (CHEMBL4196255)	Non-competitive inhibition of human alpha-glucosidase expressed in Saccharomyces cerevisiae using p-nitrophenyl-alpha-D-glucopyranoside as substrate after 15 mins by Lineweaver-Burk plot analysis
50002378	1	ChEMBL_1761038 (CHEMBL4196285)	Inhibition of His6-tagged EGFR (unknown origin) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells after 10 mins followed by addition of ATP-MgCl2 and measured after 1 hr by time-resolved fluorometric analysis
50002378	2	ChEMBL_1761039 (CHEMBL4196286)	Inhibition of mouse full-length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 60 mins followed by substrate addition and measured after 25 mins by ELISA
50002379	1	ChEMBL_1761063 (CHEMBL4196310)	Inhibition of human thrombin using H-D-phenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins
50002379	2	ChEMBL_1761070 (CHEMBL4196317)	Binding affinity to thrombin (unknown origin)
50002379	3	ChEMBL_1761073 (CHEMBL4196320)	Inhibition of recombinant human soluble tissue factor (1 to 219 residues) expressed in Escherichia coli/recombinant human factor 7a using N-methylsulfonyl-D-phe-gly arg-p-nitroaniline as substrate after 60 mins
50002379	4	ChEMBL_1761081 (CHEMBL4196328)	Inhibition of human trypsin assessed as release of p-nitroanilide from chromogenic substrate
50002379	5	ChEMBL_1761087 (CHEMBL4196334)	Inhibition of thrombin (unknown origin)
50002379	6	ChEMBL_1761089 (CHEMBL4196336)	Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric method
50002379	7	ChEMBL_1761093 (CHEMBL4196340)	Inhibition of factor 10a (unknown origin) using S-2765 as substrate measured for 10 mins
50002379	8	ChEMBL_1761088 (CHEMBL4196335)	Inhibition of trypsin (unknown origin)
50002379	9	ChEMBL_1761094 (CHEMBL4196341)	Inhibition of thrombin (unknown origin) using S-2238 as substrate measured for 10 mins
50002379	10	ChEMBL_1761071 (CHEMBL4196318)	Inhibition of recombinant soluble tissue factor (unknown origin)/recombinant human factor 7a using N-methylsulfonyl-D-phe-gly arg-p-nitroaniline as substrate after 60 mins
50002379	11	ChEMBL_1761072 (CHEMBL4196319)	Inhibition of human factor 10a using N-alpha-benzyloxy-carbonyl-D-arginyl-L-glycyl-L-arginine-p-nitroaniline-dihydrochloride as substrate after 60 mins
50002379	12	ChEMBL_1761074 (CHEMBL4196321)	Inhibition of human factor 10a using S-2765 as substrate after 30 mins by spectrophotometric method
50002379	13	ChEMBL_1761076 (CHEMBL4196323)	Inhibition of human trypsin using S-2222 as substrate after 30 mins by spectrophotometric method
50002379	14	ChEMBL_1761082 (CHEMBL4196329)	Inhibition of human thrombin assessed as release of p-nitroanilide from chromogenic substrate
50002379	15	ChEMBL_1761092 (CHEMBL4196339)	Inhibition of tissue factor/factor 7a (unknown origin)-induced factor 10 activation using S-2765 as substrate preincubated for 5 mins followed by substrate addition and measured for 10 mins
50002379	16	ChEMBL_1761075 (CHEMBL4196322)	Inhibition of human thrombin using S-2366 as substrate after 30 mins by spectrophotometric method
50002379	17	ChEMBL_1761090 (CHEMBL4196337)	Inhibition of human trypsin
50002380	1	ChEMBL_1761124 (CHEMBL4196371)	Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay
50002380	2	ChEMBL_1761125 (CHEMBL4196372)	Inhibition of human GST-tagged PDE7A expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay
50002380	3	ChEMBL_1761119 (CHEMBL4196366)	Inhibition of human recombinant FLAG-tagged PDE7A expressed in African green monkey COS7 cells using [3H]cAMP as substrate after 30 mins by scintillation counting analysis
50002380	4	ChEMBL_1761121 (CHEMBL4196368)	Inhibition of PDE7A1 (unknown origin) expressed in baculovirus infected insect cells using [3H]cAMP as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by scintillation proximity assay
50002380	5	ChEMBL_1761115 (CHEMBL4196362)	Inhibition of human C-terminal FLAG-tagged PDE7A expressed in baculovirus infected Sf9 cells using [3H]-cAMP as substrate after 15 mins by by scintillation proximity assay
50002380	6	ChEMBL_1761120 (CHEMBL4196367)	Inhibition of PDE4D3 (unknown origin) using [3H]cAMP as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by scintillation proximity assay
50002382	1	ChEMBL_1761165 (CHEMBL4196412)	Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50002382	2	ChEMBL_1761164 (CHEMBL4196411)	Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50002382	3	ChEMBL_1761167 (CHEMBL4196414)	Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50002382	4	ChEMBL_1761163 (CHEMBL4196410)	Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50002382	5	ChEMBL_1761168 (CHEMBL4196415)	Inhibition of recombinant full-length human aurora B kinase expressed in baculovirus system using MBP as substrate incubated for 45 mins by ADP-glo kinase assay
50002382	6	ChEMBL_1761162 (CHEMBL4196409)	Inhibition of human ERG incubated for 2 hrs by fluorescence polarisation assay
50002382	7	ChEMBL_1761166 (CHEMBL4196413)	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50002383	1	ChEMBL_1761190 (CHEMBL4196437)	Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA
50002383	2	ChEMBL_1761187 (CHEMBL4196434)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by mobility shift assay
50002383	3	ChEMBL_1761188 (CHEMBL4196435)	Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA
50002383	4	ChEMBL_1761189 (CHEMBL4196436)	Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA
50002383	5	ChEMBL_1761191 (CHEMBL4196438)	Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA
50002384	1	ChEMBL_1761215 (CHEMBL4196462)	Inhibition of C-terminal GFP-fused human ABCG2 expressed in MDCK2 cells preincubated for 30 mins followed by Hoechst 33342 addition and measured every 60 secs for 120 mins by Hoechst 33342 accumulation assay
50002384	2	ChEMBL_1761218 (CHEMBL4196465)	Inhibition of ABCB1 in human A2780adr cells assessed as reduction in calcein AM levels preincubated for 30 mins followed by calcein AM addition measured immediately at 60 sec time interval for 60 mins by fluorescence assay
50002386	1	ChEMBL_1761588 (CHEMBL4196835)	Inhibition of PGPH activity of human 20S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay
50002386	2	ChEMBL_1761589 (CHEMBL4196836)	Inhibition of trypsin-like activity of human 20S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay
50002386	3	ChEMBL_1761590 (CHEMBL4196837)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay
50002386	4	ChEMBL_1761591 (CHEMBL4196838)	Inhibition of PGPH activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr by fluorescence assay
50002386	5	ChEMBL_1761592 (CHEMBL4196839)	Inhibition of trypsin-like activity of human 26S proteasome using Boc-LRR-MCA as substrate measured for 1 hr by fluorescence assay
50002386	6	ChEMBL_1761593 (CHEMBL4196840)	Inhibition of chymotrypsin-like activity of human 26S proteasome using Suc-LLVY-MCA as substrate measured for 1 hr by fluorescence assay
50002386	7	ChEMBL_1761595 (CHEMBL4196842)	Inhibition of chymotrypsin-like activity of 26S proteasome in human KMS11 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence-based assay
50002386	8	ChEMBL_1761597 (CHEMBL4196844)	Inhibition of trypsin-like activity of 26S proteasome in human KMS11 cells using Boc-LRR-MCA as substrate after 24 to 48 hrs by luminescence-based assay
50002386	9	ChEMBL_1761599 (CHEMBL4196846)	Inhibition of PGPH-like activity of 26S proteasome in human RPMI8226 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assaY
50002386	10	ChEMBL_1761598 (CHEMBL4196845)	Inhibition of chymotrypsin-like activity of 26S proteasome in human RPMI8226 cells using Suc-LLVY-MCA as substrate after 24 to 48 hrs by luminescence-based assay
50002386	11	ChEMBL_1761594 (CHEMBL4196841)	Inhibition of chymotrypsin-like activity of human 26S proteasome using Z-LLE-MCA as substrate measured for 1 hr in presence of ATPgammaS by fluorescence assay
50002386	12	ChEMBL_1761596 (CHEMBL4196843)	Inhibition of PGPH-like activity of 26S proteasome in human KMS11 cells using Z-LLE-MCA as substrate after 24 to 48 hrs by luminescence-based assay
50002387	1	ChEMBL_1761650 (CHEMBL4196897)	Inhibition of tau (unknown origin) aggregation expressed in Escherichia coli (DE3) incubated for overnight by Th-S fluorescence staining based UV-Vis spectrophotometer
50002387	2	ChEMBL_1761647 (CHEMBL4196894)	Inhibition of amyloid beta 42 (unknown origin) expressed in Escherichia coli BL21 (DE3) aggregation incubated for overnight by Th-S fluorescence staining based UV-Vis spectrophotometer
50002388	1	ChEMBL_1761674 (CHEMBL4196921)	Inhibition of NS5A in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	2	ChEMBL_1761676 (CHEMBL4196923)	Inhibition of NS5A in HCV genotype 3a infected in human HuH7 replicon cells expressing HCV genotype 1b chimeric replicon assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	3	ChEMBL_1761677 (CHEMBL4196924)	Inhibition of NS5A in HCV genotype 4a infected in human HuH7 replicon cells expressing HCV genotype 1b chimeric replicon assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	4	ChEMBL_1761675 (CHEMBL4196922)	Inhibition of NS5A in HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	5	ChEMBL_1761678 (CHEMBL4196925)	Inhibition of NS5A in HCV genotype 5a infected in human HuH7 replicon cells expressing HCV genotype 1b chimeric replicon assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	6	ChEMBL_1761679 (CHEMBL4196926)	Inhibition of NS5A in HCV genotype 6a infected in human HuH7 replicon cells expressing HCV genotype 1b chimeric replicon assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	7	ChEMBL_1761672 (CHEMBL4196919)	Inhibition of NS5A in HCV genotype 2a JFH-1 infected in human Huh7.5.1 cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50002388	8	ChEMBL_1761681 (CHEMBL4196928)	Inhibition of NS5A in HCV genotype 6a
50002389	1	ChEMBL_1761823 (CHEMBL4197070)	Inhibition of CYP2C8 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002389	2	ChEMBL_1761785 (CHEMBL4197032)	Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay
50002389	3	ChEMBL_1761786 (CHEMBL4197033)	Inhibition of human CDK1/Cyclin-B using ULight-substrate after 1 hr by LANCE assay
50002389	4	ChEMBL_1761807 (CHEMBL4197054)	Inhibition of human CDK6/Cyclin-D3
50002389	5	ChEMBL_1761808 (CHEMBL4197055)	Inhibition of human CDK9/Cyclin-T1
50002389	6	ChEMBL_1761821 (CHEMBL4197068)	Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002389	7	ChEMBL_1761824 (CHEMBL4197071)	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002389	8	ChEMBL_1761826 (CHEMBL4197073)	Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002389	9	ChEMBL_1761825 (CHEMBL4197072)	Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002389	10	ChEMBL_1761814 (CHEMBL4197061)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated Q-patch method
50002389	11	ChEMBL_1761822 (CHEMBL4197069)	Inhibition of CYP2B6 in human liver microsomes preincubated for 10 mins followed by NADPH/substrate addition by LC-MS/MS analysis
50002390	1	ChEMBL_1761880 (CHEMBL4197127)	Inhibition of telomerase (unknown origin) by TRAP-LIG assay
50002391	1	ChEMBL_1761928 (CHEMBL4197175)	Inhibition of Escherichia coli UPPP expressed in Escherichia coli C41(DE3) using FPP as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by malachite green assay
50002391	2	ChEMBL_1761930 (CHEMBL4197177)	Inhibition of Escherichia coli UPPS using IPP and FPP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by malachite green phosphate assay
50002392	1	ChEMBL_1761952 (CHEMBL4197199)	Inhibition of recombinant human LSD1/CoREST preincubated for 5 mins followed by ART-(N,N-dimethyl-K)-QTARKSTGGKAPRKQLA substrate addition measured after 25 mins by fluorescence assay
50002392	2	ChEMBL_1761955 (CHEMBL4197202)	Inhibition of MAO-B (unknown origin) by luminescence assay
50002392	3	ChEMBL_1761954 (CHEMBL4197201)	Inhibition of MAO-A (unknown origin) by luminescence assay
50002392	4	ChEMBL_1761960 (CHEMBL4197207)	Inhibition of LSD1/CoREST (unknown origin)
50002393	1	ChEMBL_1761975 (CHEMBL4197222)	Inhibition of wild type EGFR (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay
50002393	2	ChEMBL_1761976 (CHEMBL4197223)	Inhibition of wild type EGFR L858R mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay
50002393	3	ChEMBL_1761978 (CHEMBL4197225)	Inhibition of wild type EGFR L858R/T790M/C797S mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay
50002393	4	ChEMBL_1761977 (CHEMBL4197224)	Inhibition of wild type EGFR L858R/T790M double mutant (unknown origin) using Poly (Glu, Tyr) as substrate after 40 mins by kinase-Glo luminescence assay
50002394	1	ChEMBL_1761985 (CHEMBL4197232)	Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by DTNB addition for 5 mins and subsequent addition of substrate measured after 3 mins by Ellman's method
50002394	2	ChEMBL_1761984 (CHEMBL4197231)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by DTNB addition for 5 mins and subsequent addition of substrate measured after 3 mins by Ellman's method
50002394	3	ChEMBL_1761988 (CHEMBL4197235)	Inhibition of human serum BCHE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by DTNB addition for 5 mins and subsequent addition of substrate measured after 3 mins by Ellman's method
50002394	4	ChEMBL_1761987 (CHEMBL4197234)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by DTNB addition for 5 mins and subsequent addition of substrate measured after 3 mins by Ellman's method
50002395	1	ChEMBL_1762016 (CHEMBL4197263)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by addition of substrate measured after 5 mins
50002396	1	ChEMBL_1762123 (CHEMBL4197370)	Binding affinity to recombinant human MD2 by SPR analysis
50002398	1	ChEMBL_1762365 (CHEMBL4197612)	Inhibition of Escherichia coli BL21(DE3) Seryl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia coli tRNA and 14C-labeled serine followed by ATP addition by liquid scintillation counting method
50002398	2	ChEMBL_1762363 (CHEMBL4197610)	Inhibition of Escherichia coli BL21(DE3) Aspartyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia coli tRNA and 14C-labeled aspartic acid followed by ATP addition by liquid scintillation counting method
50002398	3	ChEMBL_1762362 (CHEMBL4197609)	Inhibition of Escherichia coli BL21(DE3) Tyrosyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia coli tRNA and 14C-labeled tyrosine followed by ATP addition by liquid scintillation counting method
50002398	4	ChEMBL_1762361 (CHEMBL4197608)	Inhibition of Escherichia coli BL21(DE3) Leucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia coli tRNA and 14C-labeled leucine followed by ATP addition by liquid scintillation counting method
50002398	5	ChEMBL_1762360 (CHEMBL4197607)	Inhibition of Escherichia coli BL21(DE3) Isoleucyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherichia coli tRNA and 14C-labeled isoleucine followed by ATP addition by liquid scintillation counting method
50002399	1	ChEMBL_1762372 (CHEMBL4197619)	Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay
50002399	2	ChEMBL_1762371 (CHEMBL4197618)	Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay
50002399	3	ChEMBL_1762375 (CHEMBL4197622)	Inhibition of ENPP2 in human A2058 cells using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analysis
50002399	4	ChEMBL_1762374 (CHEMBL4197621)	Inhibition of ENPP2 in human SKHEP1 cells using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analysis
50002399	5	ChEMBL_1762373 (CHEMBL4197620)	Inhibition of ENPP2 in human plasma using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analysis
50039486	11	ChEMBL_785420 (CHEMBL1919799)	Inhibition of mouse IMP dehydrogenase type 2
50042306	1	ChEMBL_795535 (CHEMBL1935858)	Inhibition of alpha4beta1 integrin expressed in human CCRF-CEM cells assessed as cell adhesion to fibronectin after 1 hr by fluorimetry analysis
50034413	1	ChEMBL_799627 (CHEMBL1941333)	Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study
50042307	1	ChEMBL_798360 (CHEMBL1943959)	Displacement of Eu-labeled VCAM-1 from human VLA alpha4 beta1 expressed in CHO-K1 cells after 60 mins by time-resolved fluorometric analysis
50042307	2	ChEMBL_798361 (CHEMBL1943960)	Displacement of Eu-labeled VCAM-1 from human VLA alpha4 beta1 expressed in CHO-K1 cells after 60 mins by time-resolved fluorometric analysis in presence of 3% HSA
50039514	14	ChEMBL_811425 (CHEMBL2013683)	Inhibition of mouse IMP dehydrogenase 2
50042308	1	ChEMBL_817485 (CHEMBL2027708)	Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NECA-induced CRE-SPAP gene transcription by measuring intracellular cAMP level after 5 hrs
50042308	2	ChEMBL_817486 (CHEMBL2027709)	Antagonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP level after 5 hrs
50040091	4	ChEMBL_833115 (CHEMBL2067358)	Binding affinity to guinea pig brain sigma1 receptor
50041978	1	ChEMBL_834527 (CHEMBL2073576)	Inhibition of mouse PDE10A-mediated hydrolysis of [3H]cGMP to [3H]GMP after 20 mins by scintillation counting
50040382	1	ChEMBL_852007 (CHEMBL2157132)	Inhibition of human PI3Kgamma expressed in sf9 cells assessed as amount of ATP consumed by luciferase-luciferin chemiluminescence assay
50040568	5	ChEMBL_862992 (CHEMBL2175172)	Inhibition of STAT3 assessed as suppression of STAT3-DNA interaction by EMSA
50040617	4	ChEMBL_863458 (CHEMBL2174655)	Inhibition of mouse PDE7A assessed as [3H]cAMP hydrolysis after 5 to 15 mins by scintillation counter
50040665	3	ChEMBL_873432 (CHEMBL2186107)	Binding affinity to EBP
50040685	12	ChEMBL_875658 (CHEMBL2184889)	Antagonist activity at CCR2 assessed as inhibition of CCL2 binding
50040685	13	ChEMBL_875657 (CHEMBL2184888)	Antagonist activity at CCR5 assessed as inhibition of CCL3 binding
50040691	2	ChEMBL_872729 (CHEMBL2185142)	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH incubated for 5 mins by fluorescence based assay
50040691	1	ChEMBL_872728 (CHEMBL2185141)	Inhibition of Cryptosporidium parvum recombinant IMPDH expressed in Escherichia coli assessed as production of NADH in presence of 0.05% fatty acid free BSA incubated for 5 mins by fluorescence based assay
50040707	2	ChEMBL_874989 (CHEMBL2183865)	Inhibition of human ODCase by isothermal titration calorimetry
50040855	5	ChEMBL_883440 (CHEMBL2215077)	Binding affinity to wild type human NK3 receptor expressed in HEK293 cells assessed as [3H]IP accumulation after 45 mins
50042309	1	ChEMBL_934611 (CHEMBL2317817)	Inhibition of angiotensin converting enzyme (unknown origin)
50042310	1	ChEMBL_934653 (CHEMBL2318123)	Inhibition of human alpha thrombin using spectrozyme TH as substrate
50042311	1	ChEMBL_934669 (CHEMBL2318139)	Inhibition of rat full length His6-tagged dyn2 using phosphatidylserine as substrate after 90 mins by malachite green GTPase assay in presence of GTP
50042311	2	ChEMBL_934670 (CHEMBL2318140)	Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins
50042312	1	ChEMBL_934940 (CHEMBL2320067)	Binding affinity to human NMT1 after 10 to 20 mins by CPM fluorescence assay
50042313	1	ChEMBL_934958 (CHEMBL2320327)	Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay
50042313	2	ChEMBL_934960 (CHEMBL2320329)	Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay
50042314	1	ChEMBL_934961 (CHEMBL2320330)	Antagonist activity at human adenosine A2b receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation by scintillation counting
50042314	2	ChEMBL_934962 (CHEMBL2320331)	Activity at human adenosine A3 receptor transfected in CHO cells assessed as Cl-IB-MECA-inhibited cAMP accumulation by scintillation counting
50042314	3	ChEMBL_934969 (CHEMBL2320338)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting
50042314	4	ChEMBL_934965 (CHEMBL2320334)	Displacement of [3H]ZM241385 from human adenosine A2a receptor expressed in CHO cells by scintillation counting
50042314	5	ChEMBL_934967 (CHEMBL2320336)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting
50042315	1	ChEMBL_935266 (CHEMBL2318156)	Inhibition of recombinant His6-tagged c-Myc bHLH-ZIP domain (353 to 437 amino acid residues) (unknown origin) assessed as disruption of Myc-Max dimerization by electrophoretic mobility shift assay
50042315	2	ChEMBL_935268 (CHEMBL2318158)	Binding affinity to human c-Myc bHLH-ZIP domain (353 to 437 amino acid residues) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50042315	3	ChEMBL_935265 (CHEMBL2318155)	Inhibition of His6-tagged Max (151 amino acid residues) (unknown origin) assessed as disruption of Max-Max dimerization by electrophoretic mobility shift assay
50042316	1	ChEMBL_935552 (CHEMBL2320088)	Inhibition of Wistar albino rat xanthine oxidase isolated from liver using xanthine as substrate incubated for 15 mins prior to substrate addition by spectrophotometric analysis
50042317	1	ChEMBL_935591 (CHEMBL2320373)	Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated for 144 secs prior to acetylcholine addition measured for 5 mins by Fluo-4-AM based calcium mobilization assay
50042317	2	ChEMBL_935571 (CHEMBL2320107)	Positive allosteric modulation of rat muscarinic M5 receptor assessed as acetylcholine response
50042317	3	ChEMBL_935572 (CHEMBL2320108)	Positive allosteric modulation of human muscarinic M5 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated for 144 secs prior to acetylcholine addition measured for 5 mins by Fluo-4-AM based calcium mobilization assay
50042317	4	ChEMBL_935573 (CHEMBL2320109)	Positive allosteric modulation of rat muscarinic M3 receptor assessed as acetylcholine response
50042317	5	ChEMBL_935574 (CHEMBL2320110)	Positive allosteric modulation of human muscarinic M3 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated for 144 secs prior to acetylcholine addition measured for 5 mins by Fluo-4-AM based calcium mobilization assay
50042317	6	ChEMBL_935576 (CHEMBL2320112)	Positive allosteric modulation of rat muscarinic M2 receptor assessed as acetylcholine response
50042317	7	ChEMBL_935578 (CHEMBL2320114)	Positive allosteric modulation of human muscarinic M2 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated for 144 secs prior to acetylcholine addition measured for 5 mins by Fluo-4-AM based calcium mobilization assay
50042317	8	ChEMBL_935580 (CHEMBL2320116)	Positive allosteric modulation of rat muscarinic M1 receptor assessed as acetylcholine response
50042317	9	ChEMBL_935583 (CHEMBL2320119)	Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated for 144 secs prior to acetylcholine addition measured for 5 mins by Fluo-4-AM based calcium mobilization assay
50042317	10	ChEMBL_935589 (CHEMBL2320371)	Positive allosteric modulation of rat muscarinic M4 receptor assessed as acetylcholine response
50042318	1	ChEMBL_935595 (CHEMBL2320377)	Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay
50042319	1	ChEMBL_935597 (CHEMBL2320379)	Inhibition of PTP1B (unknown origin)
50042320	1	ChEMBL_935891 (CHEMBL2318189)	Binding affinity to human CCR2
50042320	2	ChEMBL_935884 (CHEMBL2318182)	Inhibition of human CYP3A4
50042320	3	ChEMBL_935883 (CHEMBL2318181)	Inhibition of human CYP2C9
50042320	4	ChEMBL_935885 (CHEMBL2318183)	Inhibition of human CYP2D6
50042320	5	ChEMBL_935886 (CHEMBL2318184)	Inhibition of human CYP2C19
50042320	6	ChEMBL_935888 (CHEMBL2318186)	Inhibition of human CYP1A2
50042320	7	ChEMBL_935890 (CHEMBL2318188)	Antagonist activity at CCR2 (unknown origin) assessed as inhibition of MCP1-induced chemotaxis
50042320	8	ChEMBL_935892 (CHEMBL2318190)	Binding affinity to human ERG
50042321	1	ChEMBL_936194 (CHEMBL2320151)	Inhibition of human Sirt5 deacetylation activity using SKEYFS-acetylLys-QK as substrate measured for 15 mins by MS analysis
50042321	2	ChEMBL_936193 (CHEMBL2320150)	Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay
50042321	3	ChEMBL_936190 (CHEMBL2320147)	Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate measured for 15 mins by MS analysis
50042321	4	ChEMBL_936188 (CHEMBL2320145)	Inhibition of human Sirt5 desuccinylation activity using SKEYFS-succinylLys-QK as substrate measured for 15 mins by MS analysis
50042322	1	ChEMBL_936211 (CHEMBL2320415)	Binding affinity to HMGB1 (unknown origin)
50042323	1	ChEMBL_936727 (CHEMBL2319643)	Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes
50042323	2	ChEMBL_936215 (CHEMBL2320419)	Binding affinity to emopamil binding protein (unknown origin)
50042323	3	ChEMBL_936213 (CHEMBL2320417)	Binding affinity to VAChT (unknown origin)
50042324	1	ChEMBL_936731 (CHEMBL2319647)	Inhibition of equine butyrylcholinesterase using butyrylthiocholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mins by Ellman's method
50042324	2	ChEMBL_936732 (CHEMBL2319648)	Inhibition of bovine acetylcholinesterase using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition measured after 3 mins by Ellman's method
50042324	3	ChEMBL_936733 (CHEMBL2319649)	Inhibition of butyrylcholinesterase (unknown origin)
50042324	4	ChEMBL_936734 (CHEMBL2319650)	Inhibition of acetylcholinesterase (unknown origin)
50042324	5	ChEMBL_936728 (CHEMBL2319644)	Inhibition of human acetylcholinesterase
50042324	6	ChEMBL_936729 (CHEMBL2319645)	Mixed-type reversible inhibition of bovine acetylcholinesterase using S-acetylthiocholine as substrate incubated for 20 mins prior to substrate addition measured after 3 mins by Lineweaver-Burk plot analysis
50042325	1	ChEMBL_936735 (CHEMBL2319887)	Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs
50042326	1	ChEMBL_936738 (CHEMBL2319890)	Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase by HPLC analysis
50042326	2	ChEMBL_936739 (CHEMBL2319891)	Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase by enzyme-coupling based spectrophotometric assay
50042327	1	ChEMBL_936982 (CHEMBL2321589)	Displacement of [3H]-dexamethasone human glucocorticoid receptor alpha expressed in 293 MSR cells after 60 mins by scintillation counting
50042327	2	ChEMBL_936983 (CHEMBL2321590)	Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
50042327	3	ChEMBL_936981 (CHEMBL2321588)	Inhibition of glucocorticoid receptor in human H13 cells assessed as inhibition of glucocorticoid-induced cell proliferation after 3 hrs by [3H]-thymidine incorporation assay
50042328	1	ChEMBL_937010 (CHEMBL2317149)	Inhibition of human recombinant COX2
50042328	2	ChEMBL_937009 (CHEMBL2317148)	Inhibition of ovine COX1
50042329	1	ChEMBL_937278 (CHEMBL2318807)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay
50042329	2	ChEMBL_937281 (CHEMBL2318810)	Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis
50042329	3	ChEMBL_937282 (CHEMBL2318811)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analysis
50042329	4	ChEMBL_937283 (CHEMBL2318812)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analysis
50042330	1	ChEMBL_937287 (CHEMBL2319050)	Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration method
50042330	2	ChEMBL_937288 (CHEMBL2319051)	Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration method
50042331	16	ChEMBL_937321 (CHEMBL2319084)	Partial agonist activity at human muscarinic M4 receptor expressed in CHO cells calcium response
50042331	17	ChEMBL_937322 (CHEMBL2319085)	Partial agonist activity at human muscarinic M3 receptor expressed in CHO cells calcium response
50002400	1	ChEMBL_1762431 (CHEMBL4197678)	Binding affinity to DOR (unknown origin)
50002400	2	ChEMBL_1762407 (CHEMBL4197654)	Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes after 3 hrs by scintillation counting method
50002400	3	ChEMBL_1762408 (CHEMBL4197655)	Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method
50002400	4	ChEMBL_1762413 (CHEMBL4197660)	Displacement of [3H]naltrindole from DOR (unknown origin) expressed in CHO cell membranes
50002400	5	ChEMBL_1762425 (CHEMBL4197672)	Agonist activity at human KOR expressed in HEK293 cell membranes assessed as stimulation of [35S]GTPgammaS binding after 30 mins by scintillation counting method
50002400	6	ChEMBL_1762422 (CHEMBL4197669)	Displacement of [3H]-diprenorphine from MOR (unknown origin) after 1 to 2 hrs by scintillation counting method
50002400	7	ChEMBL_1762406 (CHEMBL4197653)	Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method
50042332	1	ChEMBL_937647 (CHEMBL2321339)	Inhibition of IL-5 in mouse pro-B Y16 cells after 48 hrs by WST1 assay
50042333	1	ChEMBL_933546 (CHEMBL2319708)	Inhibition of FAAH in rat brain homogenates using [14C]anandamide as substrate assessed as formation of [14C]ethanolamine after 30 mins by scintillation counting analysis
50042333	2	ChEMBL_933543 (CHEMBL2319705)	Antagonist activity at human TRPV1 overexpressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level incubated for 5 mins prior to capsaicin addition by Fluo-4 based spectrofluorimetric analysis
50042333	3	ChEMBL_933544 (CHEMBL2319706)	Agonist activity at human TRPV1 overexpressed in HEK293 cells assessed as increase in ionomycin-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis
50042333	4	ChEMBL_933540 (CHEMBL2319702)	Antagonist activity at rat TRPA1 overexpressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ level incubated for 5 mins prior to allyl isothiocyanate addition by Fluo-4 based spectrofluorimetric analysis
50042333	5	ChEMBL_933541 (CHEMBL2319703)	Agonist activity at rat TRPA1 overexpressed in HEK293 cells assessed as increase in allyl isothiocyanate-induced intracellular Ca2+ level by Fluo-4 based spectrofluorimetric analysis
50042334	1	ChEMBL_933559 (CHEMBL2319721)	Displacement of [125I]PYY from mouse NPY-Y5 receptor
50042335	1	ChEMBL_933603 (CHEMBL2319987)	Inhibition of HDAC1 (unknown origin)
50042336	1	ChEMBL_934032 (CHEMBL2318339)	Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA
50042336	2	ChEMBL_934034 (CHEMBL2318341)	Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA
50042336	3	ChEMBL_934036 (CHEMBL2318343)	Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay
50042336	4	ChEMBL_934035 (CHEMBL2318342)	Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA
50042336	5	ChEMBL_934037 (CHEMBL2318344)	Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay
50042337	1	ChEMBL_934467 (CHEMBL2321414)	Inhibition of human Nt-GST-tagged GSK-3beta
50042337	2	ChEMBL_934468 (CHEMBL2321415)	Inhibition of human Nt-GST-tagged GSK-3alpha
50042337	3	ChEMBL_934470 (CHEMBL2321417)	Inhibition of Dictyostelium discoideum GSK-3
50042337	4	ChEMBL_934472 (CHEMBL2321419)	Inhibition of Leishmania major GSK-3
50042338	1	ChEMBL_934690 (CHEMBL2318384)	Inhibition of FAAH-mediated [3H]anandamide hydrolysis in rat brain homogenate assessed as [3H]ethanolamine production incubated for 45 mins prior to substrate addition measured after 10 mins by liquid scintillation counting analysis
50042338	2	ChEMBL_934692 (CHEMBL2318386)	Inhibition of FAAH-mediated [3H]anandamide hydrolysis in rat brain homogenate assessed as [3H]ethanolamine production incubated for 90 mins prior to substrate addition measured after 10 mins by liquid scintillation counting analysis
50042339	1	ChEMBL_934991 (CHEMBL2320360)	Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay
50042339	2	ChEMBL_934992 (CHEMBL2320361)	Inhibition of Ricin toxin A
50042340	1	ChEMBL_935017 (CHEMBL2320623)	Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis
50042340	2	ChEMBL_935019 (CHEMBL2320625)	Un-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis
50042340	3	ChEMBL_935018 (CHEMBL2320624)	Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis
50042340	4	ChEMBL_935016 (CHEMBL2320622)	Un-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis
50042341	1	ChEMBL_935027 (CHEMBL2320633)	Inhibition of recombinant GST-fused human DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate
50042341	2	ChEMBL_935030 (CHEMBL2320636)	Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting
50042341	3	ChEMBL_935020 (CHEMBL2320626)	Inhibition of CDK2/cyclin B (unknown origin) after 30 mins by scintillation counting
50042342	1	ChEMBL_935039 (CHEMBL2320904)	Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric analysis
50042343	1	ChEMBL_935304 (CHEMBL2318421)	Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma
50042343	2	ChEMBL_935305 (CHEMBL2318422)	Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells
50002400	8	ChEMBL_1762409 (CHEMBL4197656)	Displacement of [3H]DAMGO from MOR in guinea pig brain membranes
50002400	9	ChEMBL_1762410 (CHEMBL4197657)	Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes
50002400	10	ChEMBL_1762411 (CHEMBL4197658)	Displacement of [3H]U69,593 from KOR in guinea pig brain membranes
50002400	11	ChEMBL_1762412 (CHEMBL4197659)	Displacement of [3H]DAMGO from MOR (unknown origin) expressed in CHO cell membranes
50042345	1	ChEMBL_935336 (CHEMBL2318453)	Induction of human hepatic glucokinase activity at 5 mM glucose concentration
50042345	2	ChEMBL_935338 (CHEMBL2318649)	Induction of human pancreatic glucokinase activity at 5 mM glucose concentration
50042346	1	ChEMBL_935622 (CHEMBL2320404)	Antagonist activity at mouse EP1 receptor expressed in CHOK1 cells assessed as inhibition of 17PTPGE2-induced calcium influx
50042347	1	ChEMBL_935627 (CHEMBL647695)	Inhibition of B-Raf (unknown origin) expressed in mouse 3T3 cells co-expressing FLAG-tagged MEK1 assessed as inhibition of MEK1 phosphorylation after 2 hrs by ELISA
50042347	2	ChEMBL_935626 (CHEMBL2320646)	Inhibition of B-Raf (unknown origin) by fluorescence polarization assay
50002400	12	ChEMBL_1762414 (CHEMBL4197661)	Displacement of [3H]U69,593 from KOR (unknown origin) expressed in CHO cell membranes
50042349	1	ChEMBL_936264 (CHEMBL2320718)	Inhibition of ovine COX1 assessed as inhibition of PGF2a production by enzyme immunoassay
50042350	1	ChEMBL_936768 (CHEMBL2320160)	Inhibition of Leishmania infantum SIR2RP1
50042351	1	ChEMBL_936788 (CHEMBL2320180)	Inhibition of human nonpancreatic secretory phospholipase A2 using 1,2-dimyristoyl-sn-glycero-3-phosphocholine as substrate after 10 mins by spectrophotometric analysis
50042351	2	ChEMBL_936789 (CHEMBL2320181)	Inhibition of human LTA4H epoxide hydrolase activity using LTA4 as substrate incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA
50042351	3	ChEMBL_936790 (CHEMBL2320182)	Inhibition of human LTA4H aminopeptidase activity using Ala-p-nitroanilide as substrate incubated for 2 mins prior to substrate addition measured for 15 mins by spectrophotometric analysis
50042352	1	ChEMBL_936791 (CHEMBL2320183)	Inhibition of human acrosin using N-alpha-benzoyl-DL-arginine para-nitroanilide-HCl as substrate after 3 hrs by spectrophotometry
50042353	1	ChEMBL_937027 (CHEMBL2317166)	Agonist activity at human CB1 receptor expressed in HEK293S cell membranes after 1 hr by GTPgamma[35S] binding assay
50042353	2	ChEMBL_937024 (CHEMBL2317163)	Displacement of [3H]-CP55,940 from human CB2 receptor expressed in Sf9 cell membranes by scintillation counting analysis
50042353	3	ChEMBL_937025 (CHEMBL2317164)	Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293S cell membranes by scintillation counting analysis
50042353	4	ChEMBL_936798 (CHEMBL2320190)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50042353	5	ChEMBL_936803 (CHEMBL2320437)	Inhibition of human recombinant CYP2C9 expressed in Escherichia coli cells
50042353	6	ChEMBL_936804 (CHEMBL2320438)	Inhibition of human recombinant CYP3A4 expressed in Escherichia coli cells
50042354	1	ChEMBL_937387 (CHEMBL2319671)	Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay
50042355	1	ChEMBL_937681 (CHEMBL2317195)	Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expressed in human HeLa cells
50042355	2	ChEMBL_937682 (CHEMBL2317196)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells
50042355	3	ChEMBL_937677 (CHEMBL2317191)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells
50042355	4	ChEMBL_937678 (CHEMBL2317192)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK-293 cells
50042356	1	ChEMBL_937727 (CHEMBL2317477)	Modulation of ROR-gamma Gal4-DBD-NR-LBD (unknown origin) expressed in HEK293T cells assessed as repression of transcriptional activity after 20 hrs by luciferase assay relative to control
50042356	2	ChEMBL_937725 (CHEMBL2317475)	Displacement of [3H]-T0903017 from GST-tagged ROR-gamma (unknown origin) after 20 hrs
50042357	1	ChEMBL_933613 (CHEMBL2319997)	Inhibition of TNIK-mediated TCF4/beta-casein transcription in human HCT116 cells by beta-lactamase reporter gene assay
50042357	2	ChEMBL_938040 (CHEMBL2317008)	Inhibition of human ERG by patch clamp assay
50042357	3	ChEMBL_933611 (CHEMBL2319995)	Competitive binding affinity to TNIK (unknown origin) in presence of ATP
50042357	4	ChEMBL_933616 (CHEMBL2320000)	Inhibition of TNIK (unknown origin) by ADP glo luminescent assay
50042358	1	ChEMBL_933672 (CHEMBL2320533)	Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay
50042358	2	ChEMBL_933674 (CHEMBL2320535)	Agonist activity at human GPR119 in HEK293 cells assessed as cAMP accumulation after 30 mins by CRE-beta-lactamase reporter gene assay
50042359	1	ChEMBL_934087 (CHEMBL2318589)	Inhibition of PHD2 (unknown origin)
50042359	2	ChEMBL_934089 (CHEMBL2318591)	Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis
50042359	3	ChEMBL_934091 (CHEMBL2318593)	Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis
50042359	4	ChEMBL_934086 (CHEMBL2318588)	Displacement of [13C]-2OG from catalytic domain of PHD2 (181 to 426) (unknown origin) expressed in Escherichia coli
50042359	5	ChEMBL_934093 (CHEMBL2318595)	Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by 1H-15N HSQC titration assay
50042360	1	ChEMBL_934103 (CHEMBL2318856)	Inhibition of Arabidopsis thaliana acetohydroxyacid synthase
50042360	2	ChEMBL_934102 (CHEMBL2318855)	Inhibition of Saccharomyces cerevisiae acetohydroxyacid synthase by colorimetric assay
50042361	1	ChEMBL_934113 (CHEMBL2318866)	Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preincubated for 10 before addition of cyano(2-methyl-oxynaphthalen-6-yl)methyl trans-(3-phenyloxyran-2-yl) methyl carbonate by fluorescence analysis
50042362	1	ChEMBL_934116 (CHEMBL2318869)	Inhibition of COX-2 (unknown origin)
50042363	1	ChEMBL_934123 (CHEMBL2318876)	Positive allosteric modulator activity at human muscarinic M1 receptor by calcium mobilization assay
50042364	1	ChEMBL_934295 (CHEMBL2320041)	Inhibition of DYRK3 (unknown origin)
50042364	2	ChEMBL_934296 (CHEMBL2320042)	Inhibition of DYRK2 (unknown origin)
50042364	3	ChEMBL_934297 (CHEMBL2320043)	Inhibition of DYRK1A (unknown origin)
50042364	4	ChEMBL_934298 (CHEMBL2320044)	Inhibition of human recombinant CLK1-GST expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50042364	5	ChEMBL_934302 (CHEMBL2320288)	Inhibition of human recombinant CDK5/p25 after 30 mins by scintillation counting
50042364	6	ChEMBL_934299 (CHEMBL2320045)	Inhibition of rat recombinant DYRK1A-GST expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate
50042365	1	ChEMBL_934318 (CHEMBL2320304)	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
50042365	2	ChEMBL_934317 (CHEMBL2320303)	Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
50042365	3	ChEMBL_934320 (CHEMBL2320306)	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay
50042365	4	ChEMBL_934314 (CHEMBL2320300)	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay
50042365	5	ChEMBL_934315 (CHEMBL2320301)	Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
50042365	6	ChEMBL_934316 (CHEMBL2320302)	Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
50042365	7	ChEMBL_934312 (CHEMBL2320298)	Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis
50042365	8	ChEMBL_934313 (CHEMBL2320299)	Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis
50042366	1	ChEMBL_934323 (CHEMBL2320309)	Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay
50042366	2	ChEMBL_934322 (CHEMBL2320308)	Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay
50042366	3	ChEMBL_934321 (CHEMBL2320307)	Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence polarization anisotropy assay
50042367	1	ChEMBL_934508 (CHEMBL2321455)	Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs
50042367	2	ChEMBL_934509 (CHEMBL2321456)	Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water after 20 hrs by scintillation counting analysis
50042368	1	ChEMBL_934533 (CHEMBL2317274)	Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir to substrate addition measured after 90 mins by NADH coupled assay
50042369	1	ChEMBL_934542 (CHEMBL2317283)	Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
50042369	2	ChEMBL_934548 (CHEMBL2317289)	Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
50042369	3	ChEMBL_934549 (CHEMBL2317290)	Agonist activity at human S1P3 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
50042369	4	ChEMBL_934543 (CHEMBL2317284)	Displacement of [33P]S1P from human S1P3 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
50042370	1	ChEMBL_934773 (CHEMBL2318907)	Inhibition of EGFR cytoplasmic domain (amino acids 645 to 1186) (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA time resolved fluorometry
50042371	1	ChEMBL_935054 (CHEMBL2320919)	Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry
50042372	1	ChEMBL_935676 (CHEMBL2320946)	Inhibition of human recombinant MMP-13 after 45 mins by fluorogenic assay
50042372	2	ChEMBL_935414 (CHEMBL2318963)	Inhibition of human recombinant MMP-8 after 45 mins by fluorogenic assay
50042372	3	ChEMBL_935677 (CHEMBL2320947)	Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay
50042372	4	ChEMBL_935678 (CHEMBL2320948)	Inhibition of human recombinant MMP-2 after 45 mins by fluorogenic assay
50042373	1	ChEMBL_936026 (CHEMBL2318992)	Inhibition of human HDAC11 by fluorescence assay
50042373	2	ChEMBL_936027 (CHEMBL2318993)	Inhibition of human HDAC8 by fluorescence assay
50042373	3	ChEMBL_936032 (CHEMBL2318998)	Inhibition of human HDAC1 by fluorescence assay
50042373	4	ChEMBL_936028 (CHEMBL2318994)	Inhibition of human HDAC6 by fluorescence assay
50042373	5	ChEMBL_936029 (CHEMBL2318995)	Inhibition of human HDAC5 by fluorescence assay
50042373	6	ChEMBL_936030 (CHEMBL2318996)	Inhibition of human HDAC4 by fluorescence assay
50042373	7	ChEMBL_936031 (CHEMBL2318997)	Inhibition of human HDAC2 by fluorescence assay
50042374	1	ChEMBL_936302 (CHEMBL2321000)	Inhibition of human CDK4 after 30 mins by scintillation counting analysis
50042374	3	ChEMBL_936304 (CHEMBL2321002)	Inhibition of human CDK2 after 30 mins by scintillation counting analysis
50002400	13	ChEMBL_1762416 (CHEMBL4197663)	Displacement of [3H]U69,593 from KOR in monkey brain cortex membranes
50042374	4	ChEMBL_936305 (CHEMBL2321003)	Inhibition of CDK9 (unknown origin)
50002400	14	ChEMBL_1762417 (CHEMBL4197664)	Displacement of [3H]DAMGO from MOR in monkey brain cortex membranes
50002400	15	ChEMBL_1762418 (CHEMBL4197665)	Displacement of [3H]naltrindole from DOR in monkey brain cortex membranes
50002400	16	ChEMBL_1762426 (CHEMBL4197673)	Binding affinity to KOR (unknown origin)
50002400	17	ChEMBL_1762430 (CHEMBL4197677)	Binding affinity to MOR (unknown origin)
50002400	18	ChEMBL_1762405 (CHEMBL4197652)	Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting method
50042375	1	ChEMBL_936326 (CHEMBL2321258)	Noncompetitive inhibition of cathepsin B (unknown origin) exopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex
50042375	4	ChEMBL_936329 (CHEMBL2321261)	Mixed inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition constant for enzyme-substrate-inhibitor complex
50042375	5	ChEMBL_936330 (CHEMBL2321262)	Competitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate assessed as inhibition constant for enzyme-inhibitor complex
50002400	19	ChEMBL_1762423 (CHEMBL4197670)	Displacement of [3H]U69,593 from human KOR expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50002400	20	ChEMBL_1762404 (CHEMBL4197651)	Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting method
50002401	1	ChEMBL_1762435 (CHEMBL4197682)	Inhibition of human intrinsic factor tenase using factor-10 as substrate preincubated for 2 mins followed by substrate addition for 1 min measured every 30 secs for 5 mins by chromogenic substrate S10a-11 based assay
50002402	1	ChEMBL_1762453 (CHEMBL4197700)	Inhibition of gamma-secretase (unknown origin)
50002402	2	ChEMBL_1762445 (CHEMBL4197692)	Inhibition of gamma-secretase (unknown origin) assessed as notch cleavage
50002402	5	ChEMBL_1762451 (CHEMBL4197698)	Inhibition of gamma-secretase (unknown origin) assessed as reduction in notch signaling by fetal thymus organ culture assay
50002402	6	ChEMBL_1762447 (CHEMBL4197694)	Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production
50002402	7	ChEMBL_1762457 (CHEMBL4197704)	Inverse modulatory activity at gamma-secretase (unknown origin) assessed as increase in amyloid beta (1 to 42) level
50042375	11	ChEMBL_936318 (CHEMBL2321250)	Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inhibition constant for enzyme-inhibitor complex
50042375	12	ChEMBL_936319 (CHEMBL2321251)	Uncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate-inhibitor complex
50042375	14	ChEMBL_936321 (CHEMBL2321253)	Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-inhibitor complex
50042376	1	ChEMBL_936577 (CHEMBL2318740)	Inhibition of CYP2C9 (unknown origin)
50042376	2	ChEMBL_936579 (CHEMBL2318742)	Inhibition of CYP2D6 (unknown origin)
50042376	3	ChEMBL_936578 (CHEMBL2318741)	Inhibition of CYP3A4 (unknown origin)
50042377	1	ChEMBL_936590 (CHEMBL2318753)	Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assay
50042378	1	ChEMBL_936597 (CHEMBL2318760)	Agonist activity at human 3:2 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique
50042378	2	ChEMBL_936598 (CHEMBL2318761)	Partial agonist activity at human 2:3 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique
50042378	3	ChEMBL_936605 (CHEMBL2318768)	Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs by scintillation counting analysis
50042378	4	ChEMBL_936603 (CHEMBL2318766)	Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scintillation counting analysis
50042379	1	ChEMBL_936620 (CHEMBL2319019)	Inhibition of recombinant Tdp1 (unknown origin) using 5'-[32P]-labeled single-stranded DNA oligonucleotide containing 3'-phosphotyrosine as substrate after 15 mins by PAGE analysis
50042379	2	ChEMBL_936606 (CHEMBL2319005)	Binding affinity to recombinant Tdp1 (unknown origin) using 3'-phosphate(GATCTAAAAGACTT) as substrate by surface plasmon resonance analysis
50042380	1	ChEMBL_936632 (CHEMBL2319031)	Inhibition of human ERG
50042380	2	ChEMBL_936631 (CHEMBL2319030)	Inhibition of IK channel (unknown origin)
50042380	3	ChEMBL_936633 (CHEMBL2319032)	Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay
50042381	1	ChEMBL_936842 (CHEMBL2320476)	Inhibition of rat PDE10A expressed in Sf9 cells by scintillation proximity assay
50042381	2	ChEMBL_936635 (CHEMBL2319034)	Inhibition of human recombinant PDE10A expressed in Sf9 cells by scintillation proximity assay
50042381	3	ChEMBL_936634 (CHEMBL2319033)	Inhibition of human recombinant PDE3B expressed in Sf9 cells by scintillation proximity assay
50042381	4	ChEMBL_936636 (CHEMBL2319035)	Inhibition of human recombinant PDE11A expressed in Sf9 cells by scintillation proximity assay
50042381	5	ChEMBL_936819 (CHEMBL2320453)	Inhibition of human recombinant PDE9A expressed in Sf9 cells by scintillation proximity assay
50042381	6	ChEMBL_936820 (CHEMBL2320454)	Inhibition of human recombinant PDE7A expressed in Sf9 cells by scintillation proximity assay
50042381	8	ChEMBL_936822 (CHEMBL2320456)	Inhibition of human recombinant PDE4A expressed in Sf9 cells by scintillation proximity assay
50042381	9	ChEMBL_936824 (CHEMBL2320458)	Inhibition of human recombinant PDE3A expressed in Sf9 cells by scintillation proximity assay
50042381	10	ChEMBL_936826 (CHEMBL2320460)	Inhibition of human recombinant PDE1B expressed in Sf9 cells by scintillation proximity assay
50042381	11	ChEMBL_936843 (CHEMBL2320477)	Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay
50042382	1	ChEMBL_936852 (CHEMBL2320734)	Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calcium ionophore challenge measured after 10 to 30 mins by enzyme immunoassay
50042382	3	ChEMBL_936851 (CHEMBL2320733)	Inhibition of LTA4H in human whole blood assessed as decrease in LTB4 production
50042383	1	ChEMBL_936865 (CHEMBL2320747)	Inhibition of CYP2C9 in pooled human liver microsomes assessed as reduction in enzyme-mediated (S)-warfarin 7-hydroxylation by HPLC/MS-MS method
50042384	1	ChEMBL_936870 (CHEMBL2320752)	Inhibition of pure alpha-glucosidase (unknown origin) assessed as para-nitrophenol release at 420 nm OD
50042384	2	ChEMBL_936874 (CHEMBL2320756)	Inhibition of pig pancreatic alpha-amylase by Bernfeld method
50042385	1	ChEMBL_937746 (CHEMBL2318000)	Binding affinity to SERT (unknown origin)
50042385	2	ChEMBL_937748 (CHEMBL2318002)	Inhibition of [125I]IDAM uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes
50042385	3	ChEMBL_937749 (CHEMBL2318003)	Inhibition of [125I]IPT uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes
50042386	1	ChEMBL_937789 (CHEMBL2318043)	Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting
50042386	2	ChEMBL_937788 (CHEMBL2318042)	Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting
50042387	1	ChEMBL_933694 (CHEMBL2320555)	Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate
50042388	1	ChEMBL_933745 (CHEMBL2320847)	Displacement of [125I]-NPY from Y1 receptor in human MCF7 cells
50042388	2	ChEMBL_933746 (CHEMBL2320848)	Binding affinity to Y1 receptor in human SK-N-MC cells
50042388	3	ChEMBL_933747 (CHEMBL2320849)	Displacement of [125I]-NPY from Y1 receptor in human MCF7 cells in presence of 1 uM BBN
50042388	4	ChEMBL_933748 (CHEMBL2320850)	Displacement of [125I]-Tyr4-BBN from human GRPR overexpressed in human T47D cells
50042389	1	ChEMBL_933765 (CHEMBL2321101)	Agonist activity at mouse TLR7
50042389	2	ChEMBL_933767 (CHEMBL2321103)	Agonist activity at human TLR7 expressed in HEK293 cells by NFkappaB SEAP reporter gene assay
50042390	1	ChEMBL_933806 (CHEMBL2321360)	Inhibition of rat SCD1 by rat microsomal assay
50042390	2	ChEMBL_933771 (CHEMBL2321107)	Inhibition of mouse SCD1
50042391	1	ChEMBL_933811 (CHEMBL2321365)	Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay
50042391	2	ChEMBL_933812 (CHEMBL2321366)	Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay
50042392	1	ChEMBL_933820 (CHEMBL2321374)	Inhibition of FLAP (unknown origin)
50042392	2	ChEMBL_933824 (CHEMBL2321378)	Inhibition of COX2 in dog whole blood assessed as LPS-induced PGE2 production
50042392	3	ChEMBL_933827 (CHEMBL2321381)	Inhibition of COX2 in human whole blood assessed as LPS-induced PGE2 production incubated 15 mins prior to LPS challenge measured after 24 hrs by EIA
50042392	4	ChEMBL_933826 (CHEMBL2321380)	Inhibition of COX2 in rat synovial fibroblast assessed as inhibition of IL-1-mediated PGE2 production
50042392	5	ChEMBL_933828 (CHEMBL2321382)	Inhibition of COX2 in human fetal fibroblast assessed as SnCl2-induced PGF2alpha production after 40 mins by ELISA
50042392	6	ChEMBL_933829 (CHEMBL2321383)	Inhibition of human PGDS
50042392	7	ChEMBL_933841 (CHEMBL2321395)	Inhibition of COX2 in human whole blood assessed as PGE2 level incubated for 15 mins prior to substrate addition measured after 10 mins by ELISA
50042392	8	ChEMBL_933842 (CHEMBL2321396)	Inhibition of COX2 in human fetal fibroblast assessed as inhibition of IL-1beta-mediated PGE2 production after 50 mins by ELISA
50042392	9	ChEMBL_933843 (CHEMBL2321397)	Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA
50042393	1	ChEMBL_933871 (CHEMBL2317232)	Inhibition of p38alpha MAP kinase (unknown origin) by ELISA
50042393	2	ChEMBL_933868 (CHEMBL2317229)	Inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP
50042393	3	ChEMBL_933869 (CHEMBL2317230)	Binding affinity to p38alpha MAP kinase (unknown origin) by FLiK assay
50042393	4	ChEMBL_933870 (CHEMBL2317231)	Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as lipopolysaccharide-stimulated TNF-alpha release by ELISA
50042393	5	ChEMBL_933867 (CHEMBL2317228)	Inhibition of p38alpha MAP kinase (unknown origin) in presence of 300 uM ATP
50042394	1	ChEMBL_934830 (CHEMBL2319223)	Binding affinity to human c-Kit
50042394	2	ChEMBL_934834 (CHEMBL2319227)	Binding affinity to human ABL1
50042394	3	ChEMBL_934833 (CHEMBL2319226)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) peptide substrate
50042394	4	ChEMBL_934836 (CHEMBL2319489)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) peptide substrate
50042394	5	ChEMBL_934835 (CHEMBL2319228)	Inhibition of human LYN using poly[Glu:Tyr] (4:1) peptide substrate
50042394	6	ChEMBL_934838 (CHEMBL2319491)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) peptide substrate
50042394	7	ChEMBL_934837 (CHEMBL2319490)	Inhibition of human FLT3 using EAIYAAPFAKKK peptide substrate
50042394	8	ChEMBL_934841 (CHEMBL2319494)	Inhibition of human DDR2 using KKSRGDYMTMQIG peptide substrate
50042394	9	ChEMBL_934840 (CHEMBL2319493)	Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) peptide substrate
50042394	10	ChEMBL_934839 (CHEMBL2319492)	Inhibition of human ABL1 using EAIYAAPFAKKK peptide substrate
50042394	11	ChEMBL_934828 (CHEMBL2319221)	Binding affinity to human PDGFRbeata
50042394	12	ChEMBL_934827 (CHEMBL2319220)	Binding affinity to human PDGFRalpha
50042394	13	ChEMBL_934832 (CHEMBL2319225)	Binding affinity to human FLT3
50042394	14	ChEMBL_934831 (CHEMBL2319224)	Binding affinity to human DDR2
50042395	1	ChEMBL_935146 (CHEMBL2317308)	Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting
50042395	2	ChEMBL_935147 (CHEMBL2317309)	Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting
50042396	1	ChEMBL_935150 (CHEMBL2317312)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method
50042397	1	ChEMBL_935458 (CHEMBL2319267)	Antagonist activity at mineralocorticoid receptor (unknown origin)
50042398	1	ChEMBL_935479 (CHEMBL2319538)	Inhibition of telomerase in human HepG2 cells after 48 hrs by TRAP-PCR-ELISA
50002402	8	ChEMBL_1762449 (CHEMBL4197696)	Inhibition of human gamma-secretase
50002402	9	ChEMBL_1762452 (CHEMBL4197699)	Inhibition of gamma-secretase in human H4-8Sw cells assessed as reduction in amyloid beta (1 to 42) formation
50002403	1	ChEMBL_1762464 (CHEMBL4197711)	Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in presence of co-factor 2K-NS4A by fluorescence assay
50042399	3	ChEMBL_935741 (CHEMBL2321505)	Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by scintillation counting
50042399	4	ChEMBL_935745 (CHEMBL2321509)	Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 after 1 hr
50042399	5	ChEMBL_935748 (CHEMBL2321512)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 after 1 hr
50042399	6	ChEMBL_935747 (CHEMBL2321511)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 after 1 hr
50042399	7	ChEMBL_935483 (CHEMBL2319542)	Displacement of [3H]-methylspiperone from human dopamine D3 receptor expressed in HEK293 after 1 hr
50042399	8	ChEMBL_935749 (CHEMBL2321513)	Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in HEK293 after 1.5 hrs
50002403	2	ChEMBL_1762465 (CHEMBL4197712)	Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in presence of co-factor 2K-NS4A by fluorescence assay
50042400	1	ChEMBL_935761 (CHEMBL2321525)	Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method
50042400	2	ChEMBL_935759 (CHEMBL2321523)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate
50042400	3	ChEMBL_935760 (CHEMBL2321524)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate
50042401	1	ChEMBL_935777 (CHEMBL2317357)	Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay
50042401	2	ChEMBL_935778 (CHEMBL2317358)	Inhibition of human MAOA after 1 hr by luminescence assay
50042401	3	ChEMBL_935779 (CHEMBL2317359)	Inhibition of human MAOB after 1 hr by luminescence assay
50042401	4	ChEMBL_935780 (CHEMBL2317360)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis
50042401	5	ChEMBL_935769 (CHEMBL2317349)	Inhibition of MAOB in human liver mitochondria
50042402	1	ChEMBL_936059 (CHEMBL2319301)	Binding affinity to galectin-3 (unknown origin) by fluorescence polarization assay
50042402	2	ChEMBL_936060 (CHEMBL2319302)	Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay
50042403	1	ChEMBL_936065 (CHEMBL2319307)	Binding affinity to MOR (unknown origin)
50042403	2	ChEMBL_936062 (CHEMBL2319304)	Antagonist activity at NK1 receptor (unknown origin)
50042404	1	ChEMBL_936073 (CHEMBL2319315)	Antagonist activity at recombinant EPAC2 (unknown origin) assessed 8-NBD-cAMP substrate fluorescence intensity by substrate competing assay
50042405	1	ChEMBL_936103 (CHEMBL2319596)	Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay
50042405	2	ChEMBL_936102 (CHEMBL2319595)	Inhibition of human recombinant MAGL using [3H]-2-OG as substrate incubated for 30 mins at room temperature followed by incubation at 37 degC for 10 mins by liquid scintillation assay
50042406	1	ChEMBL_936375 (CHEMBL2321558)	Inhibition of Eg5 (unknown origin)
50042407	1	ChEMBL_936637 (CHEMBL2319036)	Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR assay
50042408	1	ChEMBL_937151 (CHEMBL2317988)	Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay
50042408	2	ChEMBL_937155 (CHEMBL2317992)	Agonist activity at human GABAA rho1 receptor expressed in HEK293 cells by patch clamp electrophysiology assay
50042409	1	ChEMBL_937180 (CHEMBL2318286)	Inhibition of human recombinant CYP2C19 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectrofluorimetry
50042409	2	ChEMBL_937181 (CHEMBL2318287)	Inhibition of human recombinant CYP1A2 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 30 mins by spectrofluorimetry
50042409	3	ChEMBL_937182 (CHEMBL2318288)	Inhibition of human recombinant CYP2C9 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectrofluorimetry
50042409	4	ChEMBL_937183 (CHEMBL2318289)	Inhibition of human recombinant CYP2D6 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectrofluorimetry
50042409	5	ChEMBL_937184 (CHEMBL2318290)	Inhibition of human recombinant CYP3A4 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 30 mins by spectrofluorimetry
50042409	6	ChEMBL_937196 (CHEMBL2318522)	Inhibition of human trypsin
50042409	7	ChEMBL_937197 (CHEMBL2318523)	Inhibition of human uPA
50042409	8	ChEMBL_937198 (CHEMBL2318524)	Inhibition of human tPA
50042409	9	ChEMBL_937199 (CHEMBL2318525)	Inhibition of human FIXa
50042409	10	ChEMBL_937200 (CHEMBL2318526)	Inhibition of human FVIIa
50042409	11	ChEMBL_937458 (CHEMBL2320206)	Inhibition of human FXIIa
50042409	12	ChEMBL_937459 (CHEMBL2320207)	Inhibition of human FXIa
50042409	13	ChEMBL_937460 (CHEMBL2320208)	Inhibition of human C1r
50042409	14	ChEMBL_937461 (CHEMBL2320209)	Inhibition of human C1s
50042409	15	ChEMBL_937465 (CHEMBL2320213)	Inhibition of urinary kallikrein (unknown origin)
50042409	16	ChEMBL_937462 (CHEMBL2320210)	Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis
50042409	17	ChEMBL_937464 (CHEMBL2320212)	Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis
50042409	18	ChEMBL_937463 (CHEMBL2320211)	Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis
50042409	19	ChEMBL_937468 (CHEMBL2320216)	Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis
50042409	20	ChEMBL_937466 (CHEMBL2320214)	Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysis
50042409	21	ChEMBL_937467 (CHEMBL2320215)	Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysis
50042410	1	ChEMBL_937510 (CHEMBL2320496)	Agonist activity at human FFA1 assessed as calcium mobilization measured for 50 intervals of 0.4 secs by microplate reader analysis
50042411	1	ChEMBL_937516 (CHEMBL2320502)	Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis
50042411	2	ChEMBL_937515 (CHEMBL2320501)	Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis
50042411	3	ChEMBL_937514 (CHEMBL2320500)	Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins
50042412	1	ChEMBL_937517 (CHEMBL2320503)	Inhibition of recombinant PDE4D2 (unknown origin) expressed in Sf9 cells pre-incubated with compound for 15 mins before incubation with cAMP substrate for 1 hr
50042412	2	ChEMBL_937520 (CHEMBL2320506)	Inhibition of recombinant PDE4B1 (unknown origin) expressed in Sf9 cells pre-incubated with compound for 15 mins before incubation with cAMP substrate for 1 hr
50042413	1	ChEMBL_937791 (CHEMBL2318045)	Antagonist activity against human CCR2 in human THP1 cells using [I125]MCP-1 by scintillation counting
50042413	2	ChEMBL_937533 (CHEMBL2320519)	Inhibition of human ERG assessed as [3H]astemizole binding activity
50042414	1	ChEMBL_937825 (CHEMBL2318322)	Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after overnight incubation by HTRF assay
50042414	2	ChEMBL_937826 (CHEMBL2318323)	Inhibition of human recombinant N-terminal His-tagged XIAP protein BIR3 domain (252 to 356 amino acid residues) using biotinylated-Smac as substrate after overnight incubation by HTRF assay
50042415	1	ChEMBL_933427 (CHEMBL2318839)	Inhibition of BF3 site of androgen receptor in enzalutamide-resistant human LNCAP cells assessed as reduction in PSA level after 3 days
50042415	2	ChEMBL_933428 (CHEMBL2318840)	Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 days
50042415	3	ChEMBL_933429 (CHEMBL2318841)	Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assay
50042416	1	ChEMBL_937538 (CHEMBL2320524)	Binding affinity to phosphorylated wild type ABL1 (unknown origin) after 1 hr
50042416	2	ChEMBL_937539 (CHEMBL2320525)	Binding affinity to non phosphorylated wild type ABL1 (unknown origin) after 1 hr
50042416	3	ChEMBL_937547 (CHEMBL2320772)	Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay
50042416	4	ChEMBL_937209 (CHEMBL2318535)	Inhibition of human recombinant CYP2C19 after 30 mins
50042416	5	ChEMBL_937208 (CHEMBL2318534)	Inhibition of human recombinant CYP2C9 after 30 mins
50042417	2	ChEMBL_937557 (CHEMBL2320782)	Inhibition of LDH-A (unknown origin) in presence of 0.1% Triton
50042417	3	ChEMBL_937556 (CHEMBL2320781)	Inhibition of LDH-A (unknown origin) in absence of 0.1% Triton
50042417	4	ChEMBL_937561 (CHEMBL2320786)	Binding affinity to human LDH-A by surface plasmon resonance analysis
50042417	5	ChEMBL_937563 (CHEMBL2320788)	Inhibition of human LDH-A
50042418	1	ChEMBL_937589 (CHEMBL2321058)	Inhibition of PTPgamma (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	2	ChEMBL_937590 (CHEMBL2321059)	Inhibition of LAR (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	3	ChEMBL_937591 (CHEMBL2321060)	Inhibition of PTPalpha (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	4	ChEMBL_937592 (CHEMBL2321061)	Inhibition of CDC14A (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	5	ChEMBL_937593 (CHEMBL2321062)	Inhibition of LMWPTP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	6	ChEMBL_937594 (CHEMBL2321063)	Inhibition of VHX (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	7	ChEMBL_937595 (CHEMBL2321064)	Inhibition of Laforin (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	8	ChEMBL_937596 (CHEMBL2321065)	Inhibition of HEPTP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	9	ChEMBL_937597 (CHEMBL2321066)	Inhibition of FAP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	10	ChEMBL_937598 (CHEMBL2321067)	Inhibition of VHR (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	11	ChEMBL_937599 (CHEMBL2321068)	Inhibition of CD45 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	12	ChEMBL_937600 (CHEMBL2321069)	Inhibition of PTPMEG2 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	13	ChEMBL_937842 (CHEMBL2317716)	Inhibition of LYP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	14	ChEMBL_937843 (CHEMBL2317717)	Inhibition of SHP2 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	15	ChEMBL_937844 (CHEMBL2317718)	Inhibition of SHP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	16	ChEMBL_937845 (CHEMBL2317719)	Inhibition of TCPTP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042418	17	ChEMBL_937846 (CHEMBL2317720)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis
50042419	1	ChEMBL_937882 (CHEMBL2317022)	Reversible inhibition of pig brain GABA-AT using GABA as substrate
50042420	1	ChEMBL_937895 (CHEMBL2317035)	Binding affinity to C-terminally His-tagged SIRT1 catalytic domain (241 to 516 amino acid residues plus EGHHHHHH) (unknown origin) expressed in baculovirus-infected fall armyworm sf9 cells by fluorescence assay in presence of NAD+
50042420	2	ChEMBL_937894 (CHEMBL2317034)	Inhibition of full length SIRT1 (unknown origin) by fluorometric enzyme assay
50042421	1	ChEMBL_933487 (CHEMBL2319403)	Inhibition of Sky (unknown origin) in presence of 60 uM ATP by ELISA
50042421	2	ChEMBL_937896 (CHEMBL2317036)	Inhibition of Mer (unknown origin)
50042421	3	ChEMBL_937897 (CHEMBL2317037)	Inhibition of Axl (unknown origin)
50042421	4	ChEMBL_937898 (CHEMBL2317038)	Inhibition of HGFR (unknown origin)
50042421	5	ChEMBL_937899 (CHEMBL2317039)	Inhibition of VEGFR2/FLK1 (unknown origin)
50042421	6	ChEMBL_937900 (CHEMBL2317040)	Inhibition of TRKA (unknown origin)
50042421	7	ChEMBL_933488 (CHEMBL2319404)	Inhibition of TAOK3 (unknown origin)
50042421	8	ChEMBL_937901 (CHEMBL2317041)	Inhibition of SRC (unknown origin)
50042421	9	ChEMBL_933461 (CHEMBL2319117)	Inhibition of SGK (unknown origin)
50042421	10	ChEMBL_933462 (CHEMBL2319118)	Inhibition of PKCzeta (unknown origin)
50042421	11	ChEMBL_933466 (CHEMBL2319122)	Inhibition of PIM2 (unknown origin)
50042421	12	ChEMBL_933465 (CHEMBL2319121)	Inhibition of PDK1 (unknown origin)
50042421	13	ChEMBL_933468 (CHEMBL2319124)	Inhibition of PAK4 (unknown origin)
50042421	14	ChEMBL_933467 (CHEMBL2319123)	Inhibition of MAPKAP-K2 (unknown origin)
50042421	15	ChEMBL_933469 (CHEMBL2319125)	Inhibition of MAPK1/ERK2 (unknown origin)
50042421	16	ChEMBL_933471 (CHEMBL2319127)	Inhibition of LCK (unknown origin)
50042421	17	ChEMBL_933470 (CHEMBL2319126)	Inhibition of INSR (unknown origin)
50042421	18	ChEMBL_933472 (CHEMBL2319128)	Inhibition of IKKi (unknown origin)
50042421	19	ChEMBL_933473 (CHEMBL2319129)	Inhibition of IKKbeta (unknown origin)
50042421	20	ChEMBL_933474 (CHEMBL2319130)	Inhibition of GSK3beta (unknown origin)
50042421	21	ChEMBL_933475 (CHEMBL2319131)	Inhibition of FGFR1 (unknown origin)
50042421	22	ChEMBL_933476 (CHEMBL2319132)	Inhibition of EGFR (unknown origin)
50042421	23	ChEMBL_933477 (CHEMBL2319133)	Inhibition of CK1delta (unknown origin)
50042421	24	ChEMBL_933478 (CHEMBL2319134)	Inhibition of CHK2 (unknown origin)
50002403	3	ChEMBL_1762466 (CHEMBL4197713)	Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in presence of co-factor 2K-NS4A by fluorescence assay
50042421	26	ChEMBL_933481 (CHEMBL2319137)	Inhibition of BTK (unknown origin)
50042421	27	ChEMBL_933482 (CHEMBL2319138)	Inhibition of Aurora A (unknown origin)
50042421	28	ChEMBL_933483 (CHEMBL2319139)	Inhibition of AKT1 (unknown origin)
50042421	29	ChEMBL_933484 (CHEMBL2319140)	Inhibition of ABL (unknown origin)
50042422	1	ChEMBL_933529 (CHEMBL2319445)	Inhibition of Fischer-344 rat kidney ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry
50042423	1	ChEMBL_933530 (CHEMBL2319446)	Inhibition of PAK4 (unknown origin) in presence of ATP
50042423	2	ChEMBL_933531 (CHEMBL2319693)	Inhibition of NEK2 (unknown origin) in presence of ATP
50042423	3	ChEMBL_933533 (CHEMBL2319695)	Inhibition of MYLK2 (unknown origin) in presence of ATP
50042423	4	ChEMBL_933532 (CHEMBL2319694)	Inhibition of MST2 (unknown origin) in presence of ATP
50042423	5	ChEMBL_933534 (CHEMBL2319696)	Inhibition of MASK (unknown origin) in presence of ATP
50042423	6	ChEMBL_933535 (CHEMBL2319697)	Inhibition of MARK1 (unknown origin) in presence of ATP
50042423	7	ChEMBL_933537 (CHEMBL2319699)	Inhibition of MAPKAP-K2 (unknown origin) in presence of ATP
50042423	8	ChEMBL_933536 (CHEMBL2319698)	Inhibition of MAPK1/ERK2 (unknown origin) in presence of ATP
50042423	9	ChEMBL_933538 (CHEMBL2319700)	Inhibition of MAP4K4 (unknown origin) in presence of ATP
50042423	10	ChEMBL_933539 (CHEMBL2319701)	Inhibition of MAP3K9 (unknown origin) in presence of ATP
50042423	11	ChEMBL_933950 (CHEMBL2317768)	Inhibition of LCK (unknown origin) in presence of ATP
50042423	12	ChEMBL_933952 (CHEMBL2317770)	Inhibition of JAK3 (unknown origin) in presence of ATP
50042423	13	ChEMBL_933951 (CHEMBL2317769)	Inhibition of INSR (unknown origin) in presence of ATP
50042423	14	ChEMBL_933953 (CHEMBL2317771)	Inhibition of IKKi (unknown origin) in presence of ATP
50042423	15	ChEMBL_933954 (CHEMBL2317772)	Inhibition of IKK-beta (unknown origin) in presence of ATP
50042423	16	ChEMBL_933955 (CHEMBL2317773)	Inhibition of GSK3-beta (unknown origin) in presence of ATP
50042423	17	ChEMBL_933956 (CHEMBL2317774)	Inhibition of FGFR1 (unknown origin) in presence of ATP
50042423	18	ChEMBL_933957 (CHEMBL2317775)	Inhibition of EGFR (unknown origin) in presence of ATP
50042423	19	ChEMBL_933958 (CHEMBL2317776)	Inhibition of ECK (unknown origin) in presence of ATP
50042423	20	ChEMBL_933959 (CHEMBL2317777)	Inhibition of CLK1 (unknown origin) in presence of ATP
50042423	21	ChEMBL_933960 (CHEMBL2317778)	Inhibition of CK1-delta (unknown origin) in presence of ATP
50042423	22	ChEMBL_933962 (CHEMBL2317780)	Inhibition of CHK2 (unknown origin) in presence of ATP
50002403	4	ChEMBL_1762467 (CHEMBL4197714)	Inhibition of HCV genotype-1a NS3 protease
50042423	25	ChEMBL_933966 (CHEMBL2317784)	Inhibition of CAMK1 (unknown origin) in presence of ATP
50042423	26	ChEMBL_933968 (CHEMBL2317786)	Inhibition of BTK (unknown origin) in presence of ATP
50042423	27	ChEMBL_933967 (CHEMBL2317785)	Inhibition of Aurora-A (unknown origin) in presence of ATP
50042423	28	ChEMBL_933969 (CHEMBL2317787)	Inhibition of AKT1 (unknown origin) in presence of ATP
50042423	29	ChEMBL_933970 (CHEMBL2317788)	Inhibition of ABL (unknown origin) in presence of ATP
50042423	30	ChEMBL_933984 (CHEMBL2318062)	Inhibition of P-selectin aggregation in platelet surface (unknown origin)
50042423	31	ChEMBL_933985 (CHEMBL2318063)	Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP
50042424	1	ChEMBL_933993 (CHEMBL2318071)	Inhibition of cathepsin S in human JY cells assessed as invariant chain-li degradation
50042424	2	ChEMBL_933994 (CHEMBL2318072)	Inhibition of human cathepsin S
50042425	1	ChEMBL_934017 (CHEMBL2318095)	Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay
50042425	2	ChEMBL_934018 (CHEMBL2318096)	Inhibition of human HDAC1 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay
50042426	1	ChEMBL_934194 (CHEMBL2319454)	Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of glucose anhydrous
50042427	1	ChEMBL_934203 (CHEMBL2319463)	Inhibition of Mycobacterium tuberculosis InhA
50042427	2	ChEMBL_934204 (CHEMBL2319464)	Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase
50042428	1	ChEMBL_934367 (CHEMBL2320595)	Inhibition of FAM-Bid peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization-based binding assay
50042428	2	ChEMBL_934364 (CHEMBL2320592)	Binding affinity to Bcl2 (unknown origin) expressed in Escherichia coli BL21 by ITC assay
50042428	3	ChEMBL_934365 (CHEMBL2320593)	Binding affinity to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ITC assay
50042428	4	ChEMBL_934366 (CHEMBL2320594)	Inhibition of biotin-Bim peptide binding to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ELISA
50042429	1	ChEMBL_934550 (CHEMBL2317291)	Inhibition of human FXIa assessed as S-2366 hydrolysis after 10 mins by microplate reader analysis
50042430	1	ChEMBL_934565 (CHEMBL2317526)	Inhibition of PARP1 (unknown origin)
50042430	2	ChEMBL_934568 (CHEMBL2317529)	Inhibition of PARP2 (unknown origin)
50042430	3	ChEMBL_934569 (CHEMBL2317530)	Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay
50042430	4	ChEMBL_934570 (CHEMBL2317531)	Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay
50042431	1	ChEMBL_934582 (CHEMBL2317543)	Mixed-type inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using NAD+ as substrate by Lineweaver-Burk plot analysis in presence of ac-RHKKac-AMC
50042431	2	ChEMBL_934585 (CHEMBL2317546)	Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-AMC and 750 uM NAD+ as substrate after 45 mins by fluorometric analysis
50042432	1	ChEMBL_934590 (CHEMBL2317551)	Inhibition of rat GluN1/2A receptor expressed in Xenopus laevis oocyte assessed as glutamate and glycine-induced current at holding potentials from -80 to -40 mV by two electrode voltage clamp analysis
50042432	2	ChEMBL_934591 (CHEMBL2317552)	Inhibition of rat GluA1 receptor flip form expressed in Xenopus laevis oocyte assessed as glutamate-induced current at holding potentials from -80 to -40 mV by two electrode voltage clamp analysis
50042433	1	ChEMBL_934904 (CHEMBL2319790)	Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay
50042433	2	ChEMBL_934903 (CHEMBL2319789)	Inhibition of recombinant Cryptosporidium parvum IMPDH assessed as production of NADH by fluorescence assay in presence of 0.05% BSA
50042434	1	ChEMBL_934906 (CHEMBL2319792)	Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorporation after 3 hrs by fluorescence microscopic analysis
50042435	1	ChEMBL_935189 (CHEMBL2317558)	Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis
50042435	2	ChEMBL_935190 (CHEMBL2317559)	Binding affinity to mouse GAT1 expressed in HEK293 cells membranes using LC-ESI-MS/MS analysis by [2H10]NO711 binding inhibition assay
50042436	1	ChEMBL_935203 (CHEMBL2317572)	Inhibition of LFA-1/ICAM-1 interaction in mouse Lim51b cells assessed as PMA-induced adhesion to ICAM-1 expressing HSE cells measured per 10'5 cells after 30 mins by fluorometric microplate reader analysis
50042436	2	ChEMBL_935193 (CHEMBL2317562)	Binding affinity to I-domain of human integrin alphaL (amino acid residues 128 to 307) plus initial methionine expressed in Escherichia coli by NMR spectroscopy
50042437	1	ChEMBL_935216 (CHEMBL2317585)	Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry
50042437	2	ChEMBL_935207 (CHEMBL2317576)	Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry
50042438	1	ChEMBL_935498 (CHEMBL2319557)	Displacement of [3H]CP-55,940 from Sprague-Dawley rat brain CB1 receptor by scintillation counting analysis
50042438	2	ChEMBL_935496 (CHEMBL2319555)	Displacement of [3H]CP-55,940 from Sprague-Dawley rat spleen CB2 receptor by scintillation counting analysis
50042438	3	ChEMBL_935219 (CHEMBL2317841)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as forskolin-stimulated [3H]cyclic-AMP accumulation by scintillation counting analysis
50042438	4	ChEMBL_935497 (CHEMBL2319556)	Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50042438	5	ChEMBL_935495 (CHEMBL2319554)	Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis
50042439	1	ChEMBL_935505 (CHEMBL2319564)	Inhibition of human recombinant His-tagged cathepsin K using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins prior to substrate addition by FRET assay
50042439	2	ChEMBL_935499 (CHEMBL2319558)	Inhibition of human cathepsin K
50042439	3	ChEMBL_935500 (CHEMBL2319559)	Inhibition of human cathepsin K by gelatin zymographic analysis
50042439	4	ChEMBL_935501 (CHEMBL2319560)	Inhibition of cathepsin K (unknown origin)
50042440	1	ChEMBL_935522 (CHEMBL2319813)	Inhibition of human recombinant CDK1 using histone H1 as substrate and [gamma33P]-ATP after 15 mins by scintillation counting
50042440	2	ChEMBL_935523 (CHEMBL2319814)	Inhibition of human recombinant CDK5 using histone H1 as substrate and [gamma33P]-ATP after 20 mins by scintillation counting
50042440	3	ChEMBL_935524 (CHEMBL2319815)	Inhibition of human recombinant GSK-3alpha using GS2 peptide as substrate and [gamma33P]-ATP after 12 mins by scintillation counting
50042440	4	ChEMBL_935521 (CHEMBL2319812)	Inhibition of human recombinant GSK-3beta using GS2 peptide as substrate and [gamma33P]-ATP after 30 mins by scintillation counting
50002404	1	ChEMBL_1762470 (CHEMBL4197717)	Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((20-methoxy-[1,10-biphenyl]-4-yl)methyl)benzenesulfonamide -induced co-activator europium-labeled SRC1 peptide recruitment after 1 hr by LANCE-FRET assay
50042441	2	ChEMBL_935829 (CHEMBL2317615)	Inhibition of SPHK2 (unknown origin) by ADP-GLO assay
50042441	3	ChEMBL_935830 (CHEMBL2317616)	Inhibition of SPHK1 (unknown origin) by ADP-GLO assay
50042441	4	ChEMBL_935832 (CHEMBL2317618)	Inhibition of PI4Kbeta (unknown origin) by ADP-GLO assay
50042441	5	ChEMBL_935831 (CHEMBL2317617)	Inhibition of PI4Kalpha (unknown origin) by ADP-GLO assay
50042441	6	ChEMBL_935833 (CHEMBL2317619)	Inhibition of PI3KC3 (unknown origin) by ADP-GLO assay
50042441	7	ChEMBL_935834 (CHEMBL2317620)	Inhibition of PI3KC2A (unknown origin) by ADP-GLO assay
50042441	8	ChEMBL_935835 (CHEMBL2317621)	Inhibition of PI3Kdelta (unknown origin) by HTRF assay
50042441	9	ChEMBL_935836 (CHEMBL2317622)	Inhibition of PI3Kgamma (unknown origin) by HTRF assay
50042441	10	ChEMBL_935837 (CHEMBL2317623)	Inhibition of PI3Kbeta (unknown origin) by HTRF assay
50042441	11	ChEMBL_935826 (CHEMBL2317612)	Inhibition of PI3Kalpha in human SKOV3 cells assessed as inhibition of Akt Ser473 phosphorylation at 1 to 1000 nM after 1 hr by immunoblot analysis
50042442	1	ChEMBL_935846 (CHEMBL2317882)	Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry
50042442	2	ChEMBL_935847 (CHEMBL2317883)	Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry
50042443	1	ChEMBL_936108 (CHEMBL2319601)	Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by isothermal calorimetry analysis
50042444	1	ChEMBL_936414 (CHEMBL2317407)	Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells
50042444	2	ChEMBL_936415 (CHEMBL2317408)	Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells
50042444	3	ChEMBL_936420 (CHEMBL2317629)	Binding affinity to human M5 muscarinic receptor expressed in cell membranes by radioligand binding assay
50042444	4	ChEMBL_936421 (CHEMBL2317630)	Binding affinity to human M4 muscarinic receptor expressed in cell membranes by radioligand binding assay
50042444	5	ChEMBL_936422 (CHEMBL2317631)	Binding affinity to human M3 muscarinic receptor expressed in cell membranes by radioligand binding assay
50042444	6	ChEMBL_936423 (CHEMBL2317632)	Binding affinity to human M2 muscarinic receptor expressed in cell membranes by radioligand binding assay
50042444	7	ChEMBL_936425 (CHEMBL2317634)	Binding affinity to human M1 muscarinic receptor expressed in cell membranes by radioligand binding assay
50042444	8	ChEMBL_936424 (CHEMBL2317633)	Binding affinity to human M5 muscarinic receptor
50042444	9	ChEMBL_936426 (CHEMBL2317635)	Binding affinity to human M4 muscarinic receptor
50042444	10	ChEMBL_936428 (CHEMBL2317637)	Binding affinity to human M3 muscarinic receptor
50042444	11	ChEMBL_936427 (CHEMBL2317636)	Binding affinity to human M2 muscarinic receptor
50042444	12	ChEMBL_936429 (CHEMBL2317638)	Binding affinity to human M1 muscarinic receptor
50042444	13	ChEMBL_936168 (CHEMBL2320125)	Orthosteric antagonist activity at M5 muscarinic receptor in rat striatal slices assessed as inhibition of 100 uM oxotremorine-evoked [3H]DA release
50042444	14	ChEMBL_936172 (CHEMBL2320129)	Displacement of [3H]NMS from human M4 muscarinic receptor expressed in CHO-K1 cells
50042444	15	ChEMBL_936173 (CHEMBL2320130)	Displacement of [3H]NMS from human M3 muscarinic receptor expressed in CHO-K1 cells
50042444	16	ChEMBL_936174 (CHEMBL2320131)	Displacement of [3H]NMS from human M2 muscarinic receptor expressed in CHO-K1 cells
50042445	1	ChEMBL_936433 (CHEMBL2317642)	Binding affinity to rat GluA3-LBD (GluK3-S1S2)
50042445	2	ChEMBL_936432 (CHEMBL2317641)	Binding affinity to full length rat GluA3
50042445	3	ChEMBL_936434 (CHEMBL2317643)	Binding affinity to rat GluA2-LBD (GluR2-S1S2J)
50042445	4	ChEMBL_936435 (CHEMBL2317644)	Inhibition of human EAAT3 expressed in HEK293 cells by [3H]-D-Asp uptake assay
50042445	5	ChEMBL_936436 (CHEMBL2317645)	Inhibition of human EAAT2 expressed in HEK293 cells by [3H]-D-Asp uptake assay
50042445	6	ChEMBL_936437 (CHEMBL2317646)	Inhibition of human EAAT1 expressed in HEK293 cells by [3H]-D-Asp uptake assay
50042445	7	ChEMBL_936439 (CHEMBL2317648)	Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK2(VCR) receptor expressed in sf9 cells by liquid scintillation counting
50042445	8	ChEMBL_936440 (CHEMBL2317649)	Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluKK1(Q)1b receptor expressed in sf9 cells by liquid scintillation counting
50042445	9	ChEMBL_936441 (CHEMBL2317650)	Displacement of [3H]AMPA from full length recombinant rat GluKA2(R) receptor expressed in sf9 cells by liquid scintillation counting
50042445	10	ChEMBL_936438 (CHEMBL2317647)	Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant rat GluK3 receptor expressed in sf9 cells by liquid scintillation counting
50042446	1	ChEMBL_936449 (CHEMBL2317658)	Inhibition of PAD4 (unknown origin) at 52 degC
50042446	2	ChEMBL_936451 (CHEMBL2317660)	Inhibition of PAD4 (unknown origin) at 37 degC
50042446	3	ChEMBL_936452 (CHEMBL2317661)	Inhibition of PAD4 (unknown origin)
50042447	1	ChEMBL_939575 (CHEMBL2328459)	Inhibition of CYP2C11 in rat liver microsome using diclofenac as substrate by HPLC-PDA analysis
50042447	2	ChEMBL_939578 (CHEMBL2328462)	Inhibition of CYP1A2 in rat liver microsome using phenacetin as substrate by HPLC-PDA analysis
50042447	3	ChEMBL_939580 (CHEMBL2328464)	Inhibition of CYP2D4 in rat liver microsome using dextromethorphan as substrate by HPLC-PDA analysis
50042449	1	ChEMBL_939752 (CHEMBL2329105)	Inhibition of human KAT3 using L-kynurenine as substrate measured after 24 hrs by SpectraMax plate reader analysis
50042449	2	ChEMBL_939755 (CHEMBL2329108)	Inhibition of human KAT1 using L-kynurenine as substrate measured after 16 hrs by SpectraMax plate reader analysis
50042449	3	ChEMBL_939756 (CHEMBL2329109)	Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis
50042449	4	ChEMBL_939757 (CHEMBL2329110)	Inhibition of human KAT2 using L-kynurenine as substrate measured after 15-20 hrs by SpectraMax plate reader analysis
50042450	1	ChEMBL_939922 (CHEMBL2327304)	Inhibition of human ERG expressed in CHO-K1 cells by electrophysiological assay
50042450	2	ChEMBL_939921 (CHEMBL2327303)	Inhibition of human recombinant SERT expressed in HEK cells
50042450	3	ChEMBL_939923 (CHEMBL2327305)	Inhibition of human recombinant DAT expressed in HEK cells
50042450	4	ChEMBL_939924 (CHEMBL2327306)	Inhibition of human recombinant NET expressed in HEK cells
50042450	5	ChEMBL_939782 (CHEMBL2329266)	Inhibition of DAT in rat synaptosomal membrane
50042450	6	ChEMBL_939783 (CHEMBL2329267)	Inhibition of NET in rat synaptosomal membrane
50042450	7	ChEMBL_939926 (CHEMBL2327308)	Inhibition of CYP2D6 (unknown origin)
50042451	1	ChEMBL_939960 (CHEMBL2327512)	Displacement of fluorescein-labeled 25-hydroxycholesterol from human RORgammat LBD (262-518) Escherichia coli BL21(DE3) after 6 hrs by fluorescence polarization assay
50042451	2	ChEMBL_939951 (CHEMBL2327333)	Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in HEK293t cells co-expressing Gal4-DNA binding domain
50042451	3	ChEMBL_939952 (CHEMBL2327334)	Antagonist activity at TRbeta (unknown origin) expressed in HEK293t cells
50042451	4	ChEMBL_939953 (CHEMBL2327335)	Antagonist activity at TRalpha (unknown origin) expressed in HEK293t cells
50042451	5	ChEMBL_939954 (CHEMBL2327336)	Antagonist activity at LXRalpha (unknown origin) expressed in HEK293t cells
50042451	6	ChEMBL_939955 (CHEMBL2327337)	Antagonist activity at ERRalpha (unknown origin) expressed in HEK293t cells
50042451	7	ChEMBL_939959 (CHEMBL2327511)	Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in Drosophila Schneider cells co-expressing Gal4-DNA binding domain
50042452	1	ChEMBL_940103 (CHEMBL2328037)	Inhibition of recombinant RSK2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in substrate phosphorylation using GST-fusion protein containing ERalpha-Ser167 sequence-RLASTND as substrate by chemiluminescence analysis
50042453	2	ChEMBL_940119 (CHEMBL2328172)	Reversible inhibition of CYP1A2 (unknown origin) using phenacetin as substrate by LC-MS/MS analysis
50042454	1	ChEMBL_940156 (CHEMBL2328209)	Inhibition of Bcl-xL/BAK (unknown origin) interaction
50042454	2	ChEMBL_940158 (CHEMBL2328333)	Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis
50042454	3	ChEMBL_940157 (CHEMBL2328210)	Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis
50042455	1	ChEMBL_940299 (CHEMBL2328801)	Inhibition of human wild type EGFR expressed in Sf9 cells using [gamma32P]-ATP after 10 mins by scintillation counting
50042456	1	ChEMBL_940338 (CHEMBL2328956)	Inhibition of rat FASN assessed as release of co-enzyme A
50042456	2	ChEMBL_940339 (CHEMBL2328957)	Inhibition of human FASN assessed as release of co-enzyme A
50042456	3	ChEMBL_940331 (CHEMBL2328949)	Inhibition of FASN in rat NMU cells assessed as reduction of de novo synthesis of palmitate
50042456	4	ChEMBL_940332 (CHEMBL2328950)	Inhibition of FASN in human HeLa cells assessed as reduction of de novo synthesis of palmitate
50042457	1	ChEMBL_940350 (CHEMBL2328968)	Inhibition of PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay
50042457	2	ChEMBL_940351 (CHEMBL2328969)	Inhibition of PI3K-gamma (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay
50042457	3	ChEMBL_940352 (CHEMBL2328970)	Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay
50042457	4	ChEMBL_940353 (CHEMBL2328971)	Inhibition of PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 10 uM ATP as substrate measured after 60 mins by luminescence assay
50042457	5	ChEMBL_940347 (CHEMBL2328965)	Inhibition of wild type PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 100 uM ATP as substrate measured after 60 mins by luminescence assay
50042457	6	ChEMBL_940348 (CHEMBL2328966)	Inhibition of wild type PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphatidylinositol bisphosphate and 100 uM ATP as substrate measured after 60 mins by luminescence assay
50042458	1	ChEMBL_940354 (CHEMBL2328972)	Inhibition of human recombinant GSK3beta
50042458	2	ChEMBL_940355 (CHEMBL2328973)	Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr
50042459	1	ChEMBL_940535 (CHEMBL2327153)	Inhibition of KDR (unknown origin)
50042459	2	ChEMBL_940530 (CHEMBL2327148)	Inhibition of CHK2 (unknown origin)
50042459	3	ChEMBL_940531 (CHEMBL2327149)	Inhibition of aurora-A (unknown origin)
50042459	4	ChEMBL_940532 (CHEMBL2327150)	Inhibition of CDK4 (unknown origin)
50042459	5	ChEMBL_940534 (CHEMBL2327152)	Inhibition of CDK2 (unknown origin)
50042459	6	ChEMBL_940533 (CHEMBL2327151)	Inhibition of FGFR1 (unknown origin)
50042460	1	ChEMBL_938071 (CHEMBL2327910)	Inhibition of human 11beta-HSD2 expressed in CHO cells using [3H]-Cortisone as substrate incubated for 30 mins prior to substrate addition measured after 120 mins by scintillation counting analysis
50042460	2	ChEMBL_938076 (CHEMBL2327915)	Inhibition of human 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 120 mins by chemiluminescence assay
50042460	3	ChEMBL_940547 (CHEMBL2327165)	Inhibition of PPARbeta (unknown origin)
50042460	4	ChEMBL_938074 (CHEMBL2327913)	Inhibition of mouse 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 120 mins by chemiluminescence assay in presence of 10% human serum
50042460	5	ChEMBL_938075 (CHEMBL2327914)	Inhibition of mouse 11beta-HSD1 expressed in CHO cells using cortisol as substrate incubated for 30 mins prior to substrate addition measured after 120 mins by chemiluminescence assay
50042460	6	ChEMBL_940548 (CHEMBL2327166)	Inhibition of PPARgamma (unknown origin)
50042460	7	ChEMBL_940549 (CHEMBL2327167)	Inhibition of PPARalpha (unknown origin)
50042461	1	ChEMBL_938233 (CHEMBL2328536)	Inhibition of C-terminal His-tagged human recombinant HDAC9 (amino acids 604- 1066) expressed in baculovirus expression system using fluorogenic acetylated peptide as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 60 mins by fluorescence analysis
50042461	2	ChEMBL_938234 (CHEMBL2328537)	Inhibition of C-terminal His-tagged full length human recombinant HDAC3 co-expressed with NcoR2 in baculovirus expression system using fluorogenic acetylated peptide as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 60 mins by fluorescence analysis
50042461	3	ChEMBL_938235 (CHEMBL2328538)	Inhibition of C-terminal His-tagged full length human recombinant HDAC2 expressed in baculovirus expression system using fluorogenic acetylated peptide as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 60 mins by fluorescence analysis
50042461	4	ChEMBL_938236 (CHEMBL2328659)	Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged full length human recombinant HDAC1 expressed in baculovirus expression system using fluorogenic acetylated peptide as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 60 mins by fluorescence analysis
50042462	1	ChEMBL_938239 (CHEMBL2328662)	Inhibition of PAD4 (unknown origin)
50042463	1	ChEMBL_938245 (CHEMBL2328668)	Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP1 production incubated for 30 mins measured by HTRF detection method
50042463	2	ChEMBL_938241 (CHEMBL2328664)	Antagonist activity at human 5-HT2A receptor assessed as decrease in agonist-induced intracellular calcium mobilization preincubated for 10 mins prior to agonist addition measured by FLIPR analysis
50042463	3	ChEMBL_938242 (CHEMBL2328665)	Partial agonist activity at human D2 receptor transfected in HTLA cells measured after overnight incubation by luminescence counter analysis
50042463	4	ChEMBL_938244 (CHEMBL2328667)	Antagonist activity at human 5-HT2B receptor transfected in CHO cell assessed as decrease in 5-HT-induced IP1 production preincubated for 5 mins before 5-HT addition measured after 30 mins by HTRF detection method
50042463	5	ChEMBL_938246 (CHEMBL2328669)	Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cell membrane after 60 mins by scintillation counting analysis
50042464	1	ChEMBL_938252 (CHEMBL2328675)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells
50042464	2	ChEMBL_938253 (CHEMBL2328676)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO-K1 cells
50042464	3	ChEMBL_938254 (CHEMBL2328677)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO-K1 cells
50042464	4	ChEMBL_938255 (CHEMBL2328678)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells
50042464	5	ChEMBL_938256 (CHEMBL2328679)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells
50042464	6	ChEMBL_938257 (CHEMBL2328680)	Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells
50042464	7	ChEMBL_938260 (CHEMBL2328683)	Displacement of [3H]Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK-293 cells
50042465	1	ChEMBL_938266 (CHEMBL2328689)	Binding affinity to human adenosine A2a receptor by competition binding assay
50042466	1	ChEMBL_938276 (CHEMBL2328833)	Agonist activity at human GPR119 by HTRF cAMP assay
50042467	1	ChEMBL_938402 (CHEMBL2329345)	Inhibition of human recombinant ACC2
50042467	2	ChEMBL_938403 (CHEMBL2329346)	Inhibition of human recombinant ACC1
50042468	1	ChEMBL_938404 (CHEMBL2329347)	Inhibition of human Gst-tagged Syk expressed in sf9 cells
50042469	1	ChEMBL_938416 (CHEMBL2329359)	Uncompetitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS analysis
50042469	2	ChEMBL_938417 (CHEMBL2329360)	Competitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-425) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS analysis
50042469	3	ChEMBL_938418 (CHEMBL2329361)	Uncompetitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS analysis
50042469	4	ChEMBL_938419 (CHEMBL2329362)	Competitive inhibition of Clostridium botulinum full length BoNT/A light chain (1-448) using truncated SNAP 25 (141-206) peptide as substrate by LC/MS analysis
50042470	1	ChEMBL_938597 (CHEMBL2327057)	Antagonist activity at rat TRPV4
50042470	2	ChEMBL_938602 (CHEMBL2327222)	Antagonist activity at human recombinant TRPV4 expressed in BacMam virus infected HEK MSRII cells assessed as inhibition of GSK1016790A-induced calcium immobilization treated 10 mins prior to TRPV4 agonist, GSK1016790A by FLIPR assay
50042471	1	ChEMBL_938618 (CHEMBL2327238)	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human HeLa cells expressing HRE-Luc after 12 hrs by luciferase reporter gene assay
50042472	1	ChEMBL_938622 (CHEMBL2327242)	Inhibition of human aldosterone synthase transfected in chinese hamster V79 cells after 24 hrs by LC-MS method
50042474	1	ChEMBL_938625 (CHEMBL2327245)	Inhibition of PDE10A (unknown origin) by LE-PDE10A inhibition assay
50042475	1	ChEMBL_938631 (CHEMBL2327251)	Inhibition of caspase-7 (unknown origin)
50042475	2	ChEMBL_938634 (CHEMBL2327254)	Inhibition of caspase-2 (unknown origin)
50042475	3	ChEMBL_938629 (CHEMBL2327249)	Inhibition of caspase-6 (unknown origin)
50042475	4	ChEMBL_938633 (CHEMBL2327253)	Inhibition of caspase-3 (unknown origin)
50042475	5	ChEMBL_938630 (CHEMBL2327250)	Inhibition of caspase-5 (unknown origin)
50042475	6	ChEMBL_938635 (CHEMBL2327255)	Inhibition of caspase-1 (unknown origin)
50042475	7	ChEMBL_938628 (CHEMBL2327248)	Inhibition of caspase-8 (unknown origin)
50042475	8	ChEMBL_938632 (CHEMBL2327252)	Inhibition of caspase-4 (unknown origin)
50042475	9	ChEMBL_938626 (CHEMBL2327246)	Inhibition of caspase-10 (unknown origin)
50042475	10	ChEMBL_938627 (CHEMBL2327247)	Inhibition of caspase-9 (unknown origin)
50042476	1	ChEMBL_938824 (CHEMBL2328093)	Inhibition of voltage-gated K channel 7.1 (unknown origin)
50042476	2	ChEMBL_938650 (CHEMBL2327422)	Positive modulatory activity at voltage-gated K channel 7.5 (unknown origin)
50042476	3	ChEMBL_938654 (CHEMBL2327426)	Positive modulatory activity at voltage-gated K channel 7.4 (unknown origin)
50042476	4	ChEMBL_938652 (CHEMBL2327424)	Positive modulatory activity at voltage-gated K channel 7.3 (unknown origin)
50042476	5	ChEMBL_938653 (CHEMBL2327425)	Positive modulatory activity at voltage-gated K channel 7.2 (unknown origin)
50042476	12	ChEMBL_938804 (CHEMBL2327948)	Agonist activity at GluK1 (unknown origin)
50042476	13	ChEMBL_938649 (CHEMBL2327421)	Inhibition of GluK1 receptor (unknown origin)
50042476	14	ChEMBL_938655 (CHEMBL2327427)	Inhibition of Kir2.3 (unknown origin)
50042476	15	ChEMBL_938656 (CHEMBL2327428)	Inhibition of mouse Kir2.1 expressed in HEK293 cells by patch clamp technique
50042476	16	ChEMBL_938658 (CHEMBL2327430)	Inhibition of TASK-3 (unknown origin)
50042476	17	ChEMBL_938657 (CHEMBL2327429)	Inhibition of TASK-1 (unknown origin)
50042476	18	ChEMBL_938659 (CHEMBL2327431)	Inhibition of human TREK-1 expressed in HEK293 cells by patch-clamp technique
50042476	19	ChEMBL_938660 (CHEMBL2327432)	Inhibition of TREK-1 (unknown origin)
50042476	20	ChEMBL_938661 (CHEMBL2327433)	Inhibition of P2X7 receptor (unknown origin) assessed as inhibition of IL1beta production
50042476	21	ChEMBL_938664 (CHEMBL2327436)	Antagonist activity at human P2X3 expressed in rat liver endothelium cells assessed as inhibition of the intracellular calcium increase after 30 to 40 mins by FLIPR assay
50042476	22	ChEMBL_938637 (CHEMBL2327257)	Inhibition of ASIC3 in rat DRG neurons
50042476	23	ChEMBL_938803 (CHEMBL2327947)	Agonist activity at GluA1 (unknown origin)
50042476	24	ChEMBL_938805 (CHEMBL2327949)	Binding affinity to alpha4beta2 nAChR in rat cortex
50042476	25	ChEMBL_938807 (CHEMBL2327951)	Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells incubated for 5 mins measured every second for 1 mins followed by every 5 secs for 4 mins by calcium flux assay
50042476	26	ChEMBL_938809 (CHEMBL2327953)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50042476	27	ChEMBL_938808 (CHEMBL2327952)	Positive allosteric modulation of GABAA alpha1 (unknown origin)
50042476	28	ChEMBL_938810 (CHEMBL2327954)	Positive allosteric modulation of GABAA alpha5 (unknown origin)
50042476	29	ChEMBL_938812 (CHEMBL2327956)	Positive allosteric modulation of GABAA alpha3 (unknown origin)
50042476	30	ChEMBL_938811 (CHEMBL2327955)	Positive allosteric modulation of GABAA alpha2 (unknown origin)
50042476	31	ChEMBL_938814 (CHEMBL2327958)	Modulation of human GABAA alpha2beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents
50042476	32	ChEMBL_938815 (CHEMBL2327959)	Modulation of human GABA-A alpha1beta2gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents
50042476	33	ChEMBL_938816 (CHEMBL2327960)	Binding affinity to human GABAA alpha3beta2gamma2 expressed in thymidine kinase-deficient L cells
50042476	34	ChEMBL_938818 (CHEMBL2327962)	Binding affinity to human recombinant GABAA alpha5beta3gamma2 expressed in Xenopus laevis oocytes by patch clamp technique
50042476	35	ChEMBL_938819 (CHEMBL2327963)	Inhibition of TRPM8 (unknown origin)
50042476	36	ChEMBL_938821 (CHEMBL2328090)	Agonist activity at TRPV4 (unknown origin)
50042476	37	ChEMBL_938820 (CHEMBL2328089)	Inhibition of TRPV4 (unknown origin)
50042476	38	ChEMBL_938822 (CHEMBL2328091)	Inhibition of human TRPA1 expressed in HEK293 cells after 10 mins by FLIPR assay
50042476	40	ChEMBL_938828 (CHEMBL2328097)	Inhibition of human Kca 2.3 expressed in HEK293 cells by patch clamp technique
50042476	41	ChEMBL_938830 (CHEMBL2328099)	Positive modulation of Kca 1.1 (unknown origin)
50042476	42	ChEMBL_938832 (CHEMBL2328101)	Inhibition of rat voltage-gated K channel 3.1 expressed in CHO cells by patch clamp assay
50042476	43	ChEMBL_938852 (CHEMBL2328121)	Inhibition of voltage-gated Na channel 1.8 (unknown origin)
50042476	44	ChEMBL_938838 (CHEMBL2328107)	Inhibition of human voltage-gated Na channel 1.3
50042476	47	ChEMBL_938845 (CHEMBL2328114)	Inhibition of human voltage-gated Na channel 1.8 expressed in HEK293 cells
50042476	48	ChEMBL_938846 (CHEMBL2328115)	Inhibition of human voltage-gated Na channel 1.7 expressed in HEK293 cells
50042476	49	ChEMBL_938847 (CHEMBL2328116)	Binding affinity to voltage-gated Na channel 1.8 in Sprague-Dawley rat L4/L5 DRG neurons by patch-clamp technique
50042476	50	ChEMBL_938848 (CHEMBL2328117)	Binding affinity to human inactivated voltage-gated Na channel 1.7 expressed in HEK293 cells by patch-clamp technique
50042476	51	ChEMBL_938849 (CHEMBL2328118)	Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique
50042476	52	ChEMBL_938636 (CHEMBL2327256)	Agonist activity at GluK2 (unknown origin)
50042476	53	ChEMBL_938813 (CHEMBL2327957)	Modulation of human GABAA alpha3beta3gamma2 expressed in xenopus oocytes assessed as potentiation of GABA-evoked chloride currents
50042476	54	ChEMBL_938823 (CHEMBL2328092)	Inhibition of IK (unknown origin)
50042476	55	ChEMBL_938826 (CHEMBL2328095)	Inhibition of human ERG channel
50042476	56	ChEMBL_938825 (CHEMBL2328094)	Inhibition of voltage-gated K channel 1.5 (unknown origin)
50042476	57	ChEMBL_938827 (CHEMBL2328096)	Inhibition of gardos channel (unknown origin)
50042476	59	ChEMBL_938853 (CHEMBL2328122)	Inhibition of voltage-gated Na channel 1.5 (unknown origin)
50042477	1	ChEMBL_938865 (CHEMBL2328134)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cell using [1,2-3H]Cortisone as substrate after 10 mins by scintillation counting analysis
50002404	2	ChEMBL_1762474 (CHEMBL4197721)	Agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as co-activator europium-labeled SRC1 peptide recruitment after 1 hr by LANCE-FRET assay
50042477	3	ChEMBL_938947 (CHEMBL2328436)	Inhibition of 17beta-HSD1 in human placental cytosolic fraction using [3H]E1 as substrate assessed as formation of E2 by HPLC analysis
50042477	4	ChEMBL_938948 (CHEMBL2328437)	Inhibition of 17beta-HSD2 in human placental microsomal fraction using [3H]E2 as substrate assessed as formation of E1 by HPLC analysis
50042477	5	ChEMBL_938953 (CHEMBL2328442)	Inhibition of 17beta-HSD2 (unknown origin)
50042478	1	ChEMBL_938962 (CHEMBL2328544)	Agonist activity at human NPY2R expressed inj CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by luminescence assay
50042478	2	ChEMBL_938963 (CHEMBL2328545)	Displacement of euporium-galanin from human GalR2 after 1.5 hrs by DELFIA assay
50042478	3	ChEMBL_938964 (CHEMBL2328546)	Displacement of euporium-galanin from human GalR1 after 1.5 hrs by DELFIA assay
50042479	1	ChEMBL_939090 (CHEMBL2329053)	Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis
50042479	2	ChEMBL_939262 (CHEMBL2329569)	Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 1 hr by scintillation counting analysis in presence of [gamma-33P]ATP
50042479	3	ChEMBL_939263 (CHEMBL2329570)	Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042479	4	ChEMBL_939264 (CHEMBL2327061)	Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042479	5	ChEMBL_939078 (CHEMBL2329041)	Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis
50042479	6	ChEMBL_939073 (CHEMBL2329036)	Binding affinity to TYK2 (unknown origin)
50042479	7	ChEMBL_939075 (CHEMBL2329038)	Binding affinity to JAK1 (unknown origin)
50042479	8	ChEMBL_939074 (CHEMBL2329037)	Binding affinity to JAK2 (unknown origin)
50042479	9	ChEMBL_939076 (CHEMBL2329039)	Binding affinity to JAK3 (unknown origin)
50042480	1	ChEMBL_939340 (CHEMBL2327475)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 60 mins by scintillation counting analysis
50042480	2	ChEMBL_939341 (CHEMBL2327476)	Displacement of [3H]CT from human 5-HT1B receptor expressed in human HeLa cells after 60 mins by scintillation counting analysis
50042480	3	ChEMBL_939342 (CHEMBL2327477)	Binding affinity to 5-HT2A receptor (unknown origin) by radioligand displacement assay
50042480	4	ChEMBL_939351 (CHEMBL2327486)	Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cells after 20 mins by scintillation counting analysis
50042480	5	ChEMBL_939352 (CHEMBL2327487)	Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat1 cells after 20 mins by scintillation counting analysis
50042480	6	ChEMBL_939353 (CHEMBL2327488)	Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells after 30 mins by scintillation counting analysis
50042480	7	ChEMBL_939354 (CHEMBL2327489)	Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK cells after 20 mins by scintillation counting analysis
50042481	1	ChEMBL_939361 (CHEMBL2327496)	Apparent inhibition of rat FAAH after 30 mins
50042481	2	ChEMBL_939360 (CHEMBL2327495)	Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting
50042481	3	ChEMBL_939362 (CHEMBL2327497)	Inhibition of FAAH (unknown origin)
50042482	1	ChEMBL_939499 (CHEMBL2328004)	Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured for 3 mins by FLIPR assay
50042482	2	ChEMBL_939500 (CHEMBL2328005)	Agonist activity at human MT1 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured for 3 mins by FLIPR assay
50042482	3	ChEMBL_939502 (CHEMBL2328137)	Displacement of [3H]melatonin from human MT2 receptor expressed in CHO cells after 60 mins by microbeta scintillation method
50042482	4	ChEMBL_939503 (CHEMBL2328138)	Displacement of [3H]melatonin from human MT1 receptor expressed in CHO cells after 60 mins by microbeta scintillation method
50042483	1	ChEMBL_939640 (CHEMBL2328744)	Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay
50042483	2	ChEMBL_939638 (CHEMBL2328742)	Inhibition of human ERG
50042483	3	ChEMBL_939641 (CHEMBL2328745)	Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes
50042484	1	ChEMBL_939828 (CHEMBL2329421)	Inhibition of human FAAH using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after 15 mins by beta counting analysis
50042484	2	ChEMBL_939830 (CHEMBL2329423)	Inhibition of FAAH in mouse brain homogenate using [3Hethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition measured after 15 mins by beta counting analysis
50042485	1	ChEMBL_939842 (CHEMBL2329435)	Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method
50042485	2	ChEMBL_939843 (CHEMBL2329436)	Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method
50042485	3	ChEMBL_939844 (CHEMBL2329437)	Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method
50042485	4	ChEMBL_939845 (CHEMBL2329438)	Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method
50042486	1	ChEMBL_940026 (CHEMBL2327709)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor
50042486	2	ChEMBL_940027 (CHEMBL2327710)	Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as [3H]cAMP accumulation after 15 mins by liquid scintillation counting
50042486	3	ChEMBL_940031 (CHEMBL2327714)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor
50042486	4	ChEMBL_940030 (CHEMBL2327713)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor
50042486	5	ChEMBL_940033 (CHEMBL2327842)	Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis
50042486	6	ChEMBL_940035 (CHEMBL2327844)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 180 mins by liquid scintillation counting analysis
50042486	7	ChEMBL_940167 (CHEMBL2328342)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis
50042486	8	ChEMBL_940169 (CHEMBL2328344)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK cells
50042486	9	ChEMBL_940025 (CHEMBL2327708)	Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK cells after 60 mins by liquid scintillation counting
50042486	10	ChEMBL_940170 (CHEMBL2328345)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins by liquid scintillation counting analysis
50042486	11	ChEMBL_940173 (CHEMBL2328348)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells 90 mins by liquid scintillation counting analysis
50042486	12	ChEMBL_940174 (CHEMBL2328349)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by liquid scintillation counting analysis
50042487	2	ChEMBL_940178 (CHEMBL2328353)	Binding affinity to LXRalpha (unknown origin)
50042488	1	ChEMBL_940560 (CHEMBL2327178)	Binding affinity to C-terminal-His6-tagged 5HT3A receptor (unknown origin) expressed in HEK293 cells after 2 hrs by fluorimetric analysis
50042489	2	ChEMBL_940565 (CHEMBL2327339)	Inhibition of JAK2 in human UT7 cells assessed as inhibition of Epo-dependent STAT5 phosphorylation
50002405	1	ChEMBL_1762477 (CHEMBL4197724)	Inhibition of human PDE4B by ELISA
50002405	2	ChEMBL_1762478 (CHEMBL4197725)	Inhibition of human PDE4D by ELISA
50042489	4	ChEMBL_940566 (CHEMBL2327340)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation
50042489	5	ChEMBL_940570 (CHEMBL2327344)	Inhibition of KDR (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP
50042489	7	ChEMBL_940572 (CHEMBL2327346)	Inhibition of FLT3 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1000 uM ATP
50042489	8	ChEMBL_940573 (CHEMBL2327347)	Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP
50042489	9	ChEMBL_940568 (CHEMBL2327342)	Inhibition of TYK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP
50002407	1	ChEMBL_1762507 (CHEMBL4197754)	Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50042490	1	ChEMBL_940601 (CHEMBL2327375)	Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis
50042491	1	ChEMBL_940612 (CHEMBL2327554)	Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after
50042491	2	ChEMBL_940608 (CHEMBL2327550)	Agonist activity at PPARbeta (unknown origin)
50042491	3	ChEMBL_940609 (CHEMBL2327551)	Agonist activity at PPARalpha (unknown origin)
50042491	4	ChEMBL_940611 (CHEMBL2327553)	Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay
50042492	1	ChEMBL_938144 (CHEMBL2328226)	Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluorescence polarization assay
50042492	2	ChEMBL_938143 (CHEMBL2328225)	Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells
50042493	1	ChEMBL_938157 (CHEMBL2328239)	Inhibition of PI3Kalpha (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay
50042493	2	ChEMBL_938156 (CHEMBL2328238)	Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay
50042493	3	ChEMBL_938154 (CHEMBL2328236)	Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay
50042493	4	ChEMBL_938155 (CHEMBL2328237)	Inhibition of PI3Kgamma (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay
50042494	1	ChEMBL_938159 (CHEMBL2328241)	Inhibition of human CA12 by stopped-flow assay
50042494	2	ChEMBL_938158 (CHEMBL2328240)	Inhibition of human CA9 by stopped-flow assay
50042494	3	ChEMBL_938160 (CHEMBL2328242)	Inhibition of human CA2 by stopped-flow assay
50042494	4	ChEMBL_938161 (CHEMBL2328243)	Inhibition of human CA1 by stopped-flow assay
50042495	1	ChEMBL_938168 (CHEMBL2328250)	Inhibition of human carbonic anhydrase 2 by stopped flow assay
50042496	1	ChEMBL_938287 (CHEMBL2328844)	Inhibition of telomerase-mediated supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay
50042497	1	ChEMBL_938306 (CHEMBL2328863)	Noncompetitive inhibition of human recombinant AChE at 60 to 100 uM by Dixon plot analysis
50042497	2	ChEMBL_938307 (CHEMBL2328864)	Uncompetitive inhibition of human recombinant AChE at 20 to 40 uM by Dixon plot analysis
50042497	3	ChEMBL_938308 (CHEMBL2328982)	Competitive inhibition of equine BuChE by Lineweaver-Burk plot analysis
50042497	4	ChEMBL_938309 (CHEMBL2328983)	Uncompetitive inhibition of human recombinant AChE by Dixon plot analysis
50042497	5	ChEMBL_938310 (CHEMBL2328984)	Mixed type inhibition of equine BuChE by Lineweaver-Burk plot analysis
50042497	6	ChEMBL_938312 (CHEMBL2328986)	Inhibition of equine BuChE measured for 1 min by Ellman's method
50042497	7	ChEMBL_938311 (CHEMBL2328985)	Inhibition of human recombinant AChE measured for 1 min by Ellman's method
50042498	1	ChEMBL_938342 (CHEMBL2329016)	Inhibition of Escherichia coli thymidylate synthase A
50042498	2	ChEMBL_938335 (CHEMBL2329009)	Inhibition of human thymidylate synthase A
50042498	3	ChEMBL_938328 (CHEMBL2329002)	Inhibition of human DHFR
50042499	1	ChEMBL_938467 (CHEMBL2329656)	Inhibition of rat SGLT2
50042499	2	ChEMBL_938466 (CHEMBL2329655)	Inhibition of rat SGLT1
50042499	3	ChEMBL_938472 (CHEMBL2329661)	Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake
50042499	4	ChEMBL_938474 (CHEMBL2329663)	Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake
50042500	1	ChEMBL_938481 (CHEMBL2329670)	Inhibition of AChE (unknown origin)
50042500	2	ChEMBL_938475 (CHEMBL2329664)	Inhibition of AChE in Sprague-Dawley rat cortices using acetylthiocholine iodide as substrate by Ellman's method
50042501	1	ChEMBL_938491 (CHEMBL2329680)	Agonist activity at human VDR expressed in human HCT116 cells co-expressing VDRE assessed as XDR3 transcriptional activity after 24 hrs by luciferase reporter gene assay
50002407	2	ChEMBL_1762500 (CHEMBL4197747)	Displacement of [125I]iodoproxyfan from human H3R expressed in CHOK1 cell membranes after 60 mins by gamma counting method
50042502	3	ChEMBL_938495 (CHEMBL2329684)	Inhibition of human recombinant N-terminal GST-tagged Plk1
50042502	4	ChEMBL_938502 (CHEMBL2327186)	Inhibition of Plk1 polo-box domain in human HeLa cells/biotin-GGGGG-PLHSpT interaction incubated for 30 mins measured after 60 mins by ELISA
50042503	1	ChEMBL_938738 (CHEMBL2327633)	Inhibition of PI3K p110alpha/p85alpha (unknown origin) by ADP-Glo assay
50042504	1	ChEMBL_938935 (CHEMBL2328424)	Inhibition of human ALK5 in presence of 1 microM ATP
50042505	1	ChEMBL_938940 (CHEMBL2328429)	Inhibition of human recombinant GAL4N-fused VDR LBD expressed in HEK293 cells using 1,25(OH)2D3 as substrate assessed as inhibition of cofactor interaction after 16 to 18 hrs by luciferase reporter gene assay
50042506	1	ChEMBL_939014 (CHEMBL2328716)	Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood by ELISA
50042506	2	ChEMBL_939016 (CHEMBL2328718)	Inhibition of human mPGES1 by ELISA
50042507	1	ChEMBL_939164 (CHEMBL2329236)	Inhibition of ACK1 (unknown origin) by biochemical assay
50042507	2	ChEMBL_939163 (CHEMBL2329235)	Inhibition of ACK1 (unknown origin) by cellular mechanistic assay
50042507	3	ChEMBL_939144 (CHEMBL2329216)	Inhibition of human ERG
50042507	4	ChEMBL_939149 (CHEMBL2329221)	Inhibition of CYP3A4 (unknown origin)
50042507	5	ChEMBL_939150 (CHEMBL2329222)	Inhibition of CYP2D6 (unknown origin)
50042507	6	ChEMBL_939151 (CHEMBL2329223)	Inhibition of CYP2C19 (unknown origin)
50042507	7	ChEMBL_939152 (CHEMBL2329224)	Inhibition of CYP2C9 (unknown origin)
50042507	8	ChEMBL_939153 (CHEMBL2329225)	Inhibition of CYP1A2 (unknown origin)
50042508	1	ChEMBL_939177 (CHEMBL2329369)	Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC
50042508	2	ChEMBL_939175 (CHEMBL2329367)	Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC
50042509	1	ChEMBL_939292 (CHEMBL2327089)	Inhibition of chymotrypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay
50042509	2	ChEMBL_939293 (CHEMBL2327090)	Inhibition of trypsin-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay
50042509	3	ChEMBL_939294 (CHEMBL2327091)	Inhibition of caspase-like activity of proteasome in human NCI-H929 cells at 200 uM after 6 hrs by proteasomeGlo assay
50042509	4	ChEMBL_939295 (CHEMBL2327092)	Inhibition of chymotrypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay
50042509	5	ChEMBL_939296 (CHEMBL2327093)	Inhibition of trypsin-like activity of proteasome in human NCI-H929 cells after 6 hrs by proteasomeGlo assay
50042509	6	ChEMBL_939307 (CHEMBL2327272)	Inhibition of chymotrypsin-like activity of proteasome beta 5 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by SDS-PAGE analysis
50042509	7	ChEMBL_939308 (CHEMBL2327273)	Inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK-293T cell lysates using BODIPY-BODIPY-TMR-epoxomicin as probe after 1 hr by SDS-PAGE
50042509	8	ChEMBL_939309 (CHEMBL2327274)	Competitive inhibition of caspase-like activity of proteasome beta 1 subunit in HEK293T cells after 4 hrs by SDS-PAGE analysis in presence of BODIPY-BODIPY-TMR-epoxomicin
50042509	9	ChEMBL_939289 (CHEMBL2327086)	Competitive inhibition of chymotrypsin-like activity of proteasome beta 5 subunit in HEK293T cells after 4 hrs by SDS-PAGE analysis in presence of BODIPY-BODIPY-TMR-epoxomicin
50042509	10	ChEMBL_939290 (CHEMBL2327087)	Competitive inhibition of trypsin-like activity of proteasome beta 2 subunit in HEK293T cells after 4 hrs by SDS-PAGE analysis in presence of BODIPY-BODIPY-TMR-epoxomicin
50042509	11	ChEMBL_939291 (CHEMBL2327088)	Inhibition of caspase-like activity of proteasome in human RPMI-8226 cells after 6 hrs by proteasomeGlo assay
50042510	1	ChEMBL_939332 (CHEMBL2327297)	Non-competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method
50042510	2	ChEMBL_939334 (CHEMBL2327469)	Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method
50042511	1	ChEMBL_939407 (CHEMBL2327673)	Inhibition of human MAOB expressed in CHO cells using benzylamine as substrate after 1 hr by fluorometric assay
50042511	2	ChEMBL_939403 (CHEMBL2327669)	Inhibition of human DAO expressed in CHO cells using putrescine as substrate after 1 hr by fluorometric assay
50042511	3	ChEMBL_939404 (CHEMBL2327670)	Inhibition of rat liver DAO using putrescine as substrate after 1 hr by fluorometric assay
50042511	4	ChEMBL_939405 (CHEMBL2327671)	Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrophotometric analysis
50042511	5	ChEMBL_939406 (CHEMBL2327672)	Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrophotometric analysis
50042512	1	ChEMBL_939686 (CHEMBL2328911)	Inhibition of human PTP1B
50042513	1	ChEMBL_939689 (CHEMBL2328914)	Inhibition of NAE (unknown origin)-catalyzed NEDD8-Ubcl2 intermediate formation by densitometric analysis
50042513	2	ChEMBL_939690 (CHEMBL2328915)	Inhibition of NAE (unknown origin) assessed as decrease in NEDD8-Ubcl2 formation
50042513	3	ChEMBL_939691 (CHEMBL2328916)	Inhibition of NAE (unknown origin)-catalyzed transthiolation of NEDD8 from NAE to Ubc12
50042513	4	ChEMBL_939697 (CHEMBL2328922)	Inhibition of recombinant His-tagged SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2 by immunoblotting analysis
50042513	5	ChEMBL_939698 (CHEMBL2328923)	Inhibition of recombinant SAE1(unknown origin)-mediated SUMOylation of RanGAP1-C2
50042513	6	ChEMBL_939700 (CHEMBL2328925)	Inhibition of human SAE by fluorescence assay
50042513	7	ChEMBL_939692 (CHEMBL2328917)	Inhibition of SAE (unknown origin)
50042513	8	ChEMBL_939693 (CHEMBL2328918)	Inhibition of ATG7 (unknown origin)
50042513	9	ChEMBL_939695 (CHEMBL2328920)	Inhibition of UBA6 (unknown origin)
50042513	10	ChEMBL_939694 (CHEMBL2328919)	Inhibition of NAE (unknown origin)
50042513	11	ChEMBL_939703 (CHEMBL2328928)	Inhibition of ATG7 (unknown origin) in presence of ATP
50042513	12	ChEMBL_939702 (CHEMBL2328927)	Inhibition of UBA7 (unknown origin) in presence of ATP
50042513	13	ChEMBL_939704 (CHEMBL2328929)	Inhibition of UBA6 (unknown origin) in presence of ATP
50042513	14	ChEMBL_939705 (CHEMBL2328930)	Inhibition of NAE (unknown origin) in presence of ATP
50042513	15	ChEMBL_939706 (CHEMBL2328931)	Inhibition of SAE (unknown origin) in presence of ATP
50042514	1	ChEMBL_939877 (CHEMBL2329602)	Inhibition of plasma renin (unknown origin)
50042514	2	ChEMBL_939881 (CHEMBL2327103)	Inhibition of human plasma renin
50002407	3	ChEMBL_1762499 (CHEMBL4197746)	Binding affinity to human H3R
50002407	4	ChEMBL_1762497 (CHEMBL4197744)	Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate up to 30 mins by spectrophotometric method
50002407	5	ChEMBL_1762510 (CHEMBL4197757)	Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous fluorimetric method
50002407	6	ChEMBL_1762509 (CHEMBL4197756)	Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate preincubated for 30 mins followed by substrate addition measured after 15 to 20 mins by discontinuous fluorimetric method
50042514	5	ChEMBL_939871 (CHEMBL2329596)	Inhibition of human recombinant BACE2 expressed in baculovirus-infected SF9 cells using fluorescence-quenched RE(EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042514	7	ChEMBL_939873 (CHEMBL2329598)	Inhibition of human recombinant cathepsin E expressed in Escherichia coli using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042514	8	ChEMBL_939874 (CHEMBL2329599)	Inhibition of human recombinant cathepsin D expressed in baculovirus-infected SF9 cells using fluorescence-quenched Ac-E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042514	9	ChEMBL_939875 (CHEMBL2329600)	Inhibition of human recombinant pepsin C expressed in Escherichia coli using fluorescence-quenched Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by fluorescence polarization assay
50042515	1	ChEMBL_939910 (CHEMBL2327132)	Displacement of [3H]DPDPE from mouse cloned DOR expressed in CHO cells after 90 mins by scintillation counting analysis
50042515	2	ChEMBL_939909 (CHEMBL2327131)	Displacement of [3H]DAMGO from rat cloned MOR expressed in CHO cells after 90 mins by scintillation counting analysis
50042515	3	ChEMBL_939911 (CHEMBL2327133)	Displacement of [3H]diprenorphine from rat cloned KOR expressed in CHO cells after 90 mins by scintillation counting analysis
50042515	4	ChEMBL_940036 (CHEMBL2327845)	Displacement of DAGO from MOR in guinea pig brain membrane fraction after 30 mins by scintillation counting analysis
50042515	5	ChEMBL_940038 (CHEMBL2327847)	Displacement of [3H]Cl-977 from KOR in guinea pig brain membrane fraction after 30 mins by scintillation counting analysis
50002407	7	ChEMBL_1762508 (CHEMBL4197755)	Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous fluorimetric method
50042515	10	ChEMBL_939895 (CHEMBL2327117)	Binding affinity to KOR (unknown origin)
50042515	11	ChEMBL_939907 (CHEMBL2327129)	Antagonist activity at MOR (unknown origin) by [35S]GTPgammaS binding assay
50042515	13	ChEMBL_939895 (CHEMBL2327117)	Binding affinity to KOR (unknown origin)
50042515	15	ChEMBL_939900 (CHEMBL2327122)	Binding affinity to human cloned MOR in presence of Na+/GDP
50042516	1	ChEMBL_940076 (CHEMBL2328010)	Inhibition of recombinant BACE2 (unknown origin) using FAM-SEVNLDAEFK-TAMRA as substrate incubated for 30 mins prior to substrate addition by fluorimetric analysis
50002407	8	ChEMBL_1762498 (CHEMBL4197745)	Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate up to 30 mins by spectrophotometric method
50042517	1	ChEMBL_940080 (CHEMBL2328014)	Agonist activity at human GPR119 transfected in HEK293 cells assessed as concentration for 50 % cAMP stimulation of oleylethanolamine
50042518	1	ChEMBL_940270 (CHEMBL2328652)	Binding affinity to human ERG by patch clamp assay
50042518	2	ChEMBL_940271 (CHEMBL2328653)	Inhibition of CYP2C19 (unknown origin)
50042518	3	ChEMBL_940272 (CHEMBL2328654)	Competitive inhibition of CYP3A4 (unknown origin)
50042518	4	ChEMBL_940273 (CHEMBL2328655)	Competitive inhibition of CYP2D6 (unknown origin)
50042518	5	ChEMBL_940274 (CHEMBL2328656)	Competitive inhibition of CYP2C9 (unknown origin)
50042518	6	ChEMBL_940275 (CHEMBL2328657)	Competitive inhibition of CYP1A2 (unknown origin)
50042518	7	ChEMBL_940286 (CHEMBL2328788)	Antagonist activity at CCR1 in mouse WEHI274.1 cells assessed as inhibition of CCL3/MIP-1alpha-induced chemotaxis
50042518	8	ChEMBL_940285 (CHEMBL2328787)	Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in mouse WEHI274.1 cells
50042518	9	ChEMBL_940288 (CHEMBL2328790)	Antagonist activity at CCR1 in human monocytes assessed as inhibition of CCL15/Leukotactin1-induced chemotaxis
50042518	10	ChEMBL_940287 (CHEMBL2328789)	Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human monocytes
50042518	11	ChEMBL_940290 (CHEMBL2328792)	Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human monocytes
50042518	12	ChEMBL_940289 (CHEMBL2328791)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL23/CKbeta8.1-induced chemotaxis
50042518	13	ChEMBL_940291 (CHEMBL2328793)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL5/RANTES-induced chemotaxis
50042518	14	ChEMBL_940292 (CHEMBL2328794)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL15/Leukotactin1-induced chemotaxis
50042518	15	ChEMBL_940293 (CHEMBL2328795)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced chemotaxis
50042518	16	ChEMBL_940294 (CHEMBL2328796)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL15/Leukotactin1-induced calcium flux by FLIPR assay
50042518	17	ChEMBL_940422 (CHEMBL2329309)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of CCL3/MIP-1alpha-induced calcium flux by FLIPR assay
50042518	18	ChEMBL_940423 (CHEMBL2329310)	Displacement of [125I]-CCL15/Leukotactin1 from CCR1 in human THP1 cells
50042518	19	ChEMBL_940424 (CHEMBL2329311)	Displacement of [125I]-CCL3/MIP-1alpha from CCR1 in human THP1 cells
50042519	1	ChEMBL_940429 (CHEMBL2329316)	Inhibition of bovine milk beta4-GalT1 using GlcNAcbeta-Bn as substrate after 1 hr relative to control
50042519	2	ChEMBL_940430 (CHEMBL2329317)	Inhibition of human recombinant soluble His-tagged beta4-GalT1 expressed in Escherichia coli BL21 using GlcNAcbeta-Bn as substrate after 1 hr relative to control
50042519	3	ChEMBL_940442 (CHEMBL2329440)	Inhibition of human recombinant soluble His-tagged beta3-GalT1 expressed in insect cells using GlcNAcbeta-Bn as substrate after 1 hr
50042520	1	ChEMBL_940446 (CHEMBL2329444)	Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins
50042520	2	ChEMBL_940447 (CHEMBL2329445)	Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins
50042521	1	ChEMBL_940450 (CHEMBL2329448)	Inhibition of bovine heart mitochondrial complex 1
50042522	1	ChEMBL_940469 (CHEMBL2329467)	Inhibition of factor 10a (unknown origin)
50042523	1	ChEMBL_940644 (CHEMBL2327586)	Inhibition of c-MET (unknown origin) expressed in human GTL16 cells assessed as inhibition of cell proliferation
50042523	2	ChEMBL_940645 (CHEMBL2327587)	Inhibition of HGF-stimulated c-MET (unknown origin) autophosphorylation at tyrosine 1349 expressed in human GTL16 cells after 2 hrs by Western blotting analysis
50042523	3	ChEMBL_940647 (CHEMBL2327589)	Inhibition of RON (unknown origin) by TR-FRET assay
50042523	4	ChEMBL_940646 (CHEMBL2327588)	Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
50042523	5	ChEMBL_940482 (CHEMBL2329609)	Inhibition of c-MET activation (unknown origin) expressed in human HCT116 cells
50042523	6	ChEMBL_940625 (CHEMBL2327567)	Binding affinity to unphosphorylated c-MET kinase domain (unknown origin)
50042523	7	ChEMBL_940626 (CHEMBL2327568)	Binding affinity to phosphorylated c-MET kinase domain (unknown origin)
50042523	8	ChEMBL_940627 (CHEMBL2327569)	Inhibition of CYP2D6 (unknown origin)
50042523	9	ChEMBL_940629 (CHEMBL2327571)	Inhibition of CYP2C9 (unknown origin)
50042523	10	ChEMBL_940630 (CHEMBL2327572)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS-MS analysis
50042524	1	ChEMBL_940674 (CHEMBL2327740)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50042524	2	ChEMBL_940675 (CHEMBL2327741)	Inhibition of CYP2C9 (unknown origin)
50042524	3	ChEMBL_940676 (CHEMBL2327742)	Inhibition of CYP2C19 (unknown origin)
50042524	4	ChEMBL_938172 (CHEMBL2328373)	Inhibition of CYP2D6 (unknown origin)
50042524	5	ChEMBL_938173 (CHEMBL2328374)	Inhibition of CYP3A4 (unknown origin)
50042524	6	ChEMBL_938179 (CHEMBL2328380)	Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay
50042524	7	ChEMBL_938180 (CHEMBL2328381)	Inhibition of human GlyT2 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay
50042525	1	ChEMBL_938181 (CHEMBL2328382)	Agonist activity at recombinant GPR119 receptor (unknown origin)
50042525	2	ChEMBL_938185 (CHEMBL2328386)	Agonist activity at TRPV1 receptor (unknown origin)
50042526	1	ChEMBL_938758 (CHEMBL2327767)	Inhibition of human hERG by automated patch clamp assay
50042527	1	ChEMBL_938789 (CHEMBL2327933)	Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assay
50042527	2	ChEMBL_938787 (CHEMBL2327931)	Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-alanine as substrate by colorimetric assay
50042527	3	ChEMBL_938788 (CHEMBL2327932)	Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay
50042527	4	ChEMBL_938770 (CHEMBL2327779)	Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) by oxygraphic assay
50042527	5	ChEMBL_938779 (CHEMBL2327788)	Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by Lineweaver-Burk plot analysis
50042527	6	ChEMBL_938786 (CHEMBL2327930)	Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mins by fluorescence assay
50042528	1	ChEMBL_938522 (CHEMBL2327206)	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay
50042528	2	ChEMBL_938521 (CHEMBL2327205)	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay
50042529	1	ChEMBL_938526 (CHEMBL2327210)	Inhibition of human recombinant HER-3 cytoplasmic domain (665 to 1339) autophosphorylation after 1 hr
50042529	2	ChEMBL_938525 (CHEMBL2327209)	Inhibition of human-recombinant full-length FAK after 4 hrs by kinase-Glo-luminescence assay
50042529	3	ChEMBL_938527 (CHEMBL2327211)	Inhibition of VEGFR-2 (unknown origin) using gastrin as substrate after 1 hr by fluorescence assay
50042529	4	ChEMBL_938530 (CHEMBL2327214)	Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr
50042529	5	ChEMBL_938532 (CHEMBL2327216)	Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr
50042530	1	ChEMBL_938536 (CHEMBL2327220)	Inhibition of Mycobacterium tuberculosis CysK1 using O-acetyl-L-serine as substrate assessed as L-cycteine formation after 5 mins by spectrophotometric analysis
50042530	2	ChEMBL_938538 (CHEMBL2327377)	Competitive inhibition of Mycobacterium tuberculosis CysK1
50042531	1	ChEMBL_940910 (CHEMBL2330556)	Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (DE3) by pyruvate kinase/lactate dehydrogenase-coupled assay
50042531	2	ChEMBL_938549 (CHEMBL2327388)	Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia coli BL21 (DE3) by pyruvate kinase/lactate dehydrogenase-coupled assay
50042531	3	ChEMBL_938571 (CHEMBL2327410)	Inhibition of human ERG channel expressed in CHO cells by Ionworks HT assay
50042532	1	ChEMBL_940941 (CHEMBL2330631)	Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide
50002408	1	ChEMBL_1762555 (CHEMBL4197802)	Displacement of 12G5-CXCL12 from CXCR4 in human HPBALL cells after 3 hrs by FACS analysis
50002408	2	ChEMBL_1762557 (CHEMBL4197804)	Antagonist activity at CXCR4 in human CD4+ T cells assessed as inhibition of CXCL12-mediated cytosolic calcium level preincubated with compounds followed by CXCL12 stimulation by calcium 4 dye-based FLIPR assay
50042532	3	ChEMBL_940917 (CHEMBL2330563)	Inhibition of ATM-mediated autophosphorylation at serine 1981 in human HT29 cells
50042532	4	ChEMBL_940918 (CHEMBL2330564)	Inhibition of PI3Kalpha-mediated AKT phosphorylation at threonine 308 in human BT474 cells
50042532	5	ChEMBL_940921 (CHEMBL2330567)	Inhibition of CYP2D6 (unknown origin)
50042532	6	ChEMBL_940923 (CHEMBL2330569)	Inhibition of CYP2C9 (unknown origin)
50042532	7	ChEMBL_940925 (CHEMBL2330571)	Inhibition of CYP2C19 (unknown origin)
50042532	8	ChEMBL_940924 (CHEMBL2330570)	Inhibition of CYP1A2 (unknown origin)
50042532	9	ChEMBL_940926 (CHEMBL2330572)	Inhibition of CYP3A4 (unknown origin)
50042532	10	ChEMBL_940937 (CHEMBL2330583)	Inhibition of human ERG by whole-cell electrophysiology assay
50002408	3	ChEMBL_1762562 (CHEMBL4197809)	Inhibition of human ERG expressed in CHO cells after 4 mins at -80 mV holding potential by Qpatch assay
50002409	1	ChEMBL_1762629 (CHEMBL4197876)	Inhibition of smo-mediated hedgehog signaling pathway in mouse NIH3T3 cells expressing GRE-Luc reporter gene assessed as inhibition of SAG-induced GRE-Luc reporter activity after 48 hrs by luminescence assay
50002409	2	ChEMBL_1762595 (CHEMBL4197842)	Inhibition of porcupine in mouse L Wnt3A cells co-cultured with HEK293 cells assessed as suppression of Wnt signaling after 48 hrs by Super-top flash reporter gene assay
50002409	3	ChEMBL_1762633 (CHEMBL4197880)	Inhibition of Bodipy-cyclopamine binding to human Smo expressed in human U2OS cells after 2 hrs by high content fluorescence imaging analysis
50042532	13	ChEMBL_940918 (CHEMBL2330564)	Inhibition of PI3Kalpha-mediated AKT phosphorylation at threonine 308 in human BT474 cells
50042532	15	ChEMBL_940940 (CHEMBL2330630)	Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells
50002411	1	ChEMBL_1762692 (CHEMBL4197939)	Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate
50042533	1	ChEMBL_941088 (CHEMBL2330885)	Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay
50042533	2	ChEMBL_941089 (CHEMBL2330886)	Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay
50042533	3	ChEMBL_941085 (CHEMBL2330882)	Inhibition of recombinant ROCK2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay
50042533	4	ChEMBL_941087 (CHEMBL2330884)	Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay
50042533	5	ChEMBL_940961 (CHEMBL2330651)	Inhibition of ROCK1 (unknown origin) using FITC-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift assay
50042533	6	ChEMBL_941078 (CHEMBL2330875)	Inhibition of human ERG expressed in CHO cells by ionworks assay
50042534	2	ChEMBL_941098 (CHEMBL2330895)	Inhibition of PKC zeta (unknown origin)
50042534	3	ChEMBL_941097 (CHEMBL2330894)	Inhibition of PKC mu (unknown origin)
50042534	5	ChEMBL_941100 (CHEMBL2330897)	Inhibition of PKC epsilon (unknown origin)
50042534	6	ChEMBL_941101 (CHEMBL2330898)	Inhibition of PKC gamma (unknown origin)
50042534	7	ChEMBL_941103 (CHEMBL2330900)	Inhibition of PKC beta2 (unknown origin)
50042534	8	ChEMBL_941118 (CHEMBL2330915)	Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP
50002412	1	ChEMBL_1762743 (CHEMBL4197990)	Antagonist activity at CXCR4 (unknown origin)
50002412	2	ChEMBL_1762745 (CHEMBL4197992)	Displacement of [125I]SDF-1 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method
50002412	3	ChEMBL_1762741 (CHEMBL4197988)	Inhibition of SDF-1 binding to CXCR4 (unknown origin)
50042534	12	ChEMBL_941104 (CHEMBL2330901)	Inhibition of Erk-1 (unknown origin)
50042534	13	ChEMBL_941106 (CHEMBL2330903)	Inhibition of c-Raf (unknown origin)
50042534	14	ChEMBL_941105 (CHEMBL2330902)	Inhibition of Zap70 (unknown origin)
50042534	15	ChEMBL_941107 (CHEMBL2330904)	Inhibition of Lyn (unknown origin)
50042534	16	ChEMBL_941109 (CHEMBL2330906)	Inhibition of Fyn (unknown origin)
50042534	17	ChEMBL_941108 (CHEMBL2330905)	Inhibition of Itk (unknown origin)
50042534	18	ChEMBL_941110 (CHEMBL2330907)	Inhibition of Lck (unknown origin)
50042534	10	ChEMBL_941193 (CHEMBL2329704)	Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042535	1	ChEMBL_941199 (CHEMBL2329710)	Inhibition of [3H]GABA uptake at mouse GAT4 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042535	2	ChEMBL_941201 (CHEMBL2329712)	Inhibition of [3H]GABA uptake at mouse GAT3 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50002412	4	ChEMBL_1762740 (CHEMBL4197987)	Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in CHO cells by scintillation counting analysis
50002412	5	ChEMBL_1762734 (CHEMBL4197981)	Displacement of [125I]SDF-1alpha from CXCR4 in human MT4 cells after 2 hrs by scintillation counting analysis
50042535	4	ChEMBL_941202 (CHEMBL2329713)	Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 3 mins by scintillation counting analysis
50042536	1	ChEMBL_941211 (CHEMBL2329722)	Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis
50042536	2	ChEMBL_941210 (CHEMBL2329721)	Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis
50042536	3	ChEMBL_941209 (CHEMBL2329720)	Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed as increase in forskolin-induced cAMP production after 45 mins in presence of phosphodiesterase inhibitor RO20-1724
50042537	1	ChEMBL_941222 (CHEMBL2329772)	Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions
50042537	2	ChEMBL_941224 (CHEMBL2329774)	Binding affinity to human blood group B Galactosyltransferase by STD NMR analysis in presence of magnesium ions
50042537	3	ChEMBL_941223 (CHEMBL2329773)	Binding affinity to human blood group B Galactosyltransferase after 300 secs by SPR analysis
50042537	4	ChEMBL_941221 (CHEMBL2329771)	Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions
50042537	5	ChEMBL_941220 (CHEMBL2329770)	Competitive inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by Michaelis-Menten equation analysis in presence of magnesium ions
50042538	1	ChEMBL_941371 (CHEMBL2330146)	Inhibition of human full length PDE4B expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay
50042538	2	ChEMBL_941372 (CHEMBL2330147)	Inhibition of Trypanosoma brucei full length PDEB1 expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay
50042539	1	ChEMBL_941554 (CHEMBL2330594)	Inhibition of PIM1 (unknown origin)
50042539	2	ChEMBL_941577 (CHEMBL2330617)	Inhibition of mTOR (unknown origin)
50042539	3	ChEMBL_941578 (CHEMBL2330618)	Inhibition of PI3K p110gamma (unknown origin)
50042539	4	ChEMBL_941580 (CHEMBL2330620)	Inhibition of PI3K p110beta (unknown origin)
50042539	5	ChEMBL_941581 (CHEMBL2330621)	Inhibition of PI3K p110alpha (unknown origin)
50042539	6	ChEMBL_941579 (CHEMBL2330619)	Inhibition of PI3K p110delta (unknown origin)
50042540	1	ChEMBL_941587 (CHEMBL2330627)	Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleotides as substrate preincubated for 20 mins before substrate addition measured after 20 mins by electrophoretic mobility shift assay
50042541	1	ChEMBL_941589 (CHEMBL2330629)	Binding affinity to ERK2 (unknown origin) by isothermal titration calorimetry
50042541	2	ChEMBL_941590 (CHEMBL2330672)	Binding affinity to Pseudomonas putida KSI by surface plasmon resonance analysis
50042541	3	ChEMBL_941591 (CHEMBL2330673)	Binding affinity to Pseudomonas putida KSI by isothermal titration calorimetry
50042542	1	ChEMBL_941603 (CHEMBL2330685)	Agonist activity at human KOR expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50042542	2	ChEMBL_941605 (CHEMBL2330687)	Agonist activity at rat DOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50042542	3	ChEMBL_941602 (CHEMBL2330684)	Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis
50042542	4	ChEMBL_941600 (CHEMBL2330682)	Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting analysis
50042542	5	ChEMBL_941604 (CHEMBL2330686)	Agonist activity at rat MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50042542	6	ChEMBL_941601 (CHEMBL2330683)	Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting analysis
50042543	1	ChEMBL_941696 (CHEMBL2330866)	Inhibition of human recombinant BACE-2 expressed in baculovirus-infected insect sf9 cells using RE( EDANS)-EVNLDAEF-K(DABSYL)-R as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by FRET-based enzymatic assay
50042543	3	ChEMBL_941699 (CHEMBL2330922)	Inhibition of human recombinant pepsin C expressed in Escherichia coli using Dabcyl-E-R-Nle-F-L-S-F-P-EDANS as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by FRET-based enzymatic assay
50042543	4	ChEMBL_941701 (CHEMBL2330924)	Inhibition of human recombinant cathepsin-E expressed in Escherichia coli using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by FRET-based enzymatic assay
50042543	5	ChEMBL_941702 (CHEMBL2330925)	Inhibition of human recombinant cathepsin-D expressed in baculovirus-infected insect sf9 cells using Ac- E-D(EDANS)-KPILFFRLG-K(Dabcyl)-E-Amid as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by FRET-based enzymatic assay
50002415	1	ChEMBL_1762840 (CHEMBL4198087)	Inhibition of recombinant Leishmania infantum trypanothione reductase using T[S]2 as substrate preincubated for 5 mins followed by substrate and NADPH addition measured for 1 hr
50042543	8	ChEMBL_941692 (CHEMBL2330862)	Inhibition of human ERG by dofetilide binding assay
50042543	9	ChEMBL_941693 (CHEMBL2330863)	Inhibition of 5-HT2B (unknown origin)
50042543	10	ChEMBL_941694 (CHEMBL2330864)	Inhibition of 5-HT2A (unknown origin)
50042543	11	ChEMBL_941695 (CHEMBL2330865)	Inhibition of 5-HT1A (unknown origin)
50042544	1	ChEMBL_941721 (CHEMBL2330944)	Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50042544	2	ChEMBL_941715 (CHEMBL2330938)	Inhibition of human A3 adenosine receptor transfected in CHO cells assessed as inhibition of forskolin-induced cyclic AMP production after 10 mins by competitive protein binding assay in presence of CI-IB-MECA
50042544	3	ChEMBL_941716 (CHEMBL2330939)	Inhibition of human A2B adenosine receptor transfected in CHO cells assessed as inhibition of NECA-induced cyclic AMP production after 10 mins by competitive protein binding assay
50042544	4	ChEMBL_941722 (CHEMBL2330945)	Displacement of [3H]ZM241385 from human A2A adenosine receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50042544	5	ChEMBL_941723 (CHEMBL2330946)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cells after 120 mins by scintillation counting analysis
50042545	1	ChEMBL_941739 (CHEMBL2331015)	Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hrs by luciferase reporter gene assay
50042546	1	ChEMBL_941768 (CHEMBL2329729)	Inhibition of human ERG
50042547	1	ChEMBL_941808 (CHEMBL2329799)	Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced luciferase activity after 20 mins by luciferase reporter gene assay
50042547	2	ChEMBL_941815 (CHEMBL2329806)	Inhibition of wild type mouse COX2 by discontinuous radioactive TLC assay
50042547	3	ChEMBL_941816 (CHEMBL2329807)	Inhibition of ovine COX1 by discontinuous radioactive TLC assay
50042547	4	ChEMBL_941818 (CHEMBL2329809)	Inhibition of COX1 (unknown origin)-mediated oxidation of N,N,N,Ntetramethyl-1,4-phenylenediamine using arachidonic acid as substrate by colorimetric assay
50042547	5	ChEMBL_941820 (CHEMBL2329811)	Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol
50042547	6	ChEMBL_941821 (CHEMBL2329812)	Inhibition of human recombinant AKR1C1-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol
50042547	7	ChEMBL_941825 (CHEMBL2329816)	Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol
50042547	8	ChEMBL_941824 (CHEMBL2329815)	Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol
50042548	1	ChEMBL_941836 (CHEMBL2329827)	Binding affinity to GluA2 ligand binding domain (unknown origin) by competitive binding assay
50042548	2	ChEMBL_941837 (CHEMBL2329828)	Displacement of [3H]AMPA from rat GluA2 ligand binding domain after 1 hr
50042549	1	ChEMBL_941841 (CHEMBL2329832)	Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay
50042549	2	ChEMBL_941842 (CHEMBL2329833)	Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay
50042549	3	ChEMBL_941843 (CHEMBL2329876)	Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay
50042549	4	ChEMBL_941840 (CHEMBL2329831)	Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by cAMP-based beta-galactosidase reporter gene assay
50042550	1	ChEMBL_941864 (CHEMBL2329897)	Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment mediated luciferase reporter gene assay in absence of CCL22
50042550	2	ChEMBL_941866 (CHEMBL2329899)	Inhibition of Trypanosoma cruzi cruzaine using Z-Phe-Arg-aminomethylcoumarin as substrate incubated for 5 mins by spectrofluorimetric analysis in presence of Tween-80
50042550	3	ChEMBL_941865 (CHEMBL2329898)	Inhibition of Trypanosoma cruzi cruzaine using Z-Phe-Arg-aminomethylcoumarin as substrate incubated for 5 mins by spectrofluorimetric analysis in absence of Tween-80
50042550	4	ChEMBL_941873 (CHEMBL2329906)	Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	5	ChEMBL_941874 (CHEMBL2329907)	Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	6	ChEMBL_941875 (CHEMBL2329908)	Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	7	ChEMBL_941876 (CHEMBL2329909)	Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	8	ChEMBL_941877 (CHEMBL2329943)	Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	9	ChEMBL_941878 (CHEMBL2329944)	Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	10	ChEMBL_941879 (CHEMBL2329945)	Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	11	ChEMBL_941880 (CHEMBL2329946)	Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042550	12	ChEMBL_941881 (CHEMBL2329947)	Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay
50042551	1	ChEMBL_941896 (CHEMBL2329962)	Inhibition of MMP7 (unknown origin)-mediated omniMMP degradation
50042551	2	ChEMBL_941897 (CHEMBL2329963)	Inhibition of human recombinant IDE-mediated insulin degradation
50042551	3	ChEMBL_941898 (CHEMBL2329964)	Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation
50042551	4	ChEMBL_941899 (CHEMBL2329965)	Inhibition of human recombinant IDE-mediated FRET1 degradation
50042552	1	ChEMBL_941903 (CHEMBL2329969)	Inhibition of MAO-B in Sprague-Dawley rat brain mitochondrial suspension using kynuramine as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry
50042552	2	ChEMBL_941905 (CHEMBL2329971)	Inhibition of MAO-A in Sprague-Dawley rat brain mitochondrial suspension using kynuramine as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry
50042553	1	ChEMBL_941935 (CHEMBL2330092)	Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 mins
50042553	2	ChEMBL_941936 (CHEMBL2330093)	Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 mins
50042553	3	ChEMBL_941937 (CHEMBL2330094)	Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 mins by platform assay
50042553	4	ChEMBL_941940 (CHEMBL2330097)	Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 10 mins by platform assay
50042553	5	ChEMBL_941928 (CHEMBL2330085)	Inhibition of P38alpha (unknown origin)
50042553	6	ChEMBL_941934 (CHEMBL2330091)	Inhibition of wild type Abl1 kinase (unknown origin)
50042553	7	ChEMBL_941938 (CHEMBL2330095)	Inhibition of Abl1 kinase (unknown origin)
50042553	8	ChEMBL_941939 (CHEMBL2330096)	Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate assessed as residual enzyme activity after every 10 secs measured for 15 mins by fluorescence assay
50042554	1	ChEMBL_941949 (CHEMBL2330106)	Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by HTRF assay
50042554	2	ChEMBL_941948 (CHEMBL2330105)	Inhibition of BTK (unknown origin)
50042554	3	ChEMBL_941956 (CHEMBL2330176)	Binding affinity to p38gamma (unknown origin)
50042554	4	ChEMBL_941958 (CHEMBL2330178)	Binding affinity to p38alpha (unknown origin)
50042555	1	ChEMBL_941988 (CHEMBL2330282)	Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-S-adenosylmethionine
50042555	2	ChEMBL_941985 (CHEMBL2330205)	Inhibition of SUV39H2 (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-adenosylmethionine
50042555	3	ChEMBL_941986 (CHEMBL2330206)	Inhibition of GLP (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-adenosylmethionine
50042555	4	ChEMBL_941987 (CHEMBL2330207)	Inhibition of G9a (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-adenosylmethionine
50042556	1	ChEMBL_942021 (CHEMBL2330315)	Inhibition of CYP2D6 (unknown origin)
50042556	2	ChEMBL_942020 (CHEMBL2330314)	Inhibition of CYP3A4 (unknown origin)
50042556	3	ChEMBL_942019 (CHEMBL2330313)	Inhibition of CYP2C9 (unknown origin)
50042556	4	ChEMBL_942022 (CHEMBL2330316)	Inhibition of CYP1A2 (unknown origin)
50042556	5	ChEMBL_942025 (CHEMBL2330319)	Inhibition of human ERG
50042556	6	ChEMBL_942031 (CHEMBL2330325)	Inhibition of PLD2 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liquid scintillation counting analysis
50042556	7	ChEMBL_942032 (CHEMBL2330326)	Inhibition of PLD1 (unknown origin) assessed as release of [methyl-3H] from [choline-methyl-3H] dipalmitoyl-phosphotidylcholine after 30 mins by liquid scintillation counting analysis
50042556	8	ChEMBL_942033 (CHEMBL2330327)	Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured after 30 mins by mass spectrometry
50042556	9	ChEMBL_942034 (CHEMBL2330403)	Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured after 30 mins by mass spectrometry
50042556	10	ChEMBL_942035 (CHEMBL2330404)	Inhibition of PLD1 (unknown origin)
50042556	11	ChEMBL_942038 (CHEMBL2330407)	Inhibition of PLD2 (unknown origin)
50042556	12	ChEMBL_942037 (CHEMBL2330406)	Inhibition of dopamine receptor D2 (unknown origin)
50042557	1	ChEMBL_940694 (CHEMBL2329985)	Inhibition of human N-terminal hexahistidine-tagged HGPRT
50042558	1	ChEMBL_940706 (CHEMBL2329997)	Binding affinity to MCL1 (unknown origin) after 2 hrs by fluorescence polarization assay
50042558	2	ChEMBL_940708 (CHEMBL2329999)	Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay
50042558	3	ChEMBL_940709 (CHEMBL2330000)	Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay
50042559	1	ChEMBL_940756 (CHEMBL2330136)	Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis
50042559	2	ChEMBL_940752 (CHEMBL2330132)	Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method
50042559	3	ChEMBL_940755 (CHEMBL2330135)	Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis
50042560	1	ChEMBL_940757 (CHEMBL2330137)	Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry
50042560	2	ChEMBL_940758 (CHEMBL2330138)	Binding affinity to human factor 11a-DEGR by spectrofluorometry
50042561	1	ChEMBL_940778 (CHEMBL2330224)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate
50042561	2	ChEMBL_940780 (CHEMBL2330226)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate
50042561	3	ChEMBL_940779 (CHEMBL2330225)	Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate
50042562	1	ChEMBL_940792 (CHEMBL2330238)	Binding affinity to MMP-2 (unknown origin)
50042562	2	ChEMBL_940796 (CHEMBL2330242)	Binding affinity to human serum albumin by 19F NMR titration assay
50042562	3	ChEMBL_940798 (CHEMBL2330244)	Inhibition of human recombinant MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042562	4	ChEMBL_940799 (CHEMBL2330245)	Inhibition of MMP-13 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042562	5	ChEMBL_940800 (CHEMBL2330328)	Inhibition of MMP-12 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042562	6	ChEMBL_940801 (CHEMBL2330329)	Inhibition of MMP-9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042562	7	ChEMBL_940802 (CHEMBL2330330)	Inhibition of MMP-3 (unknown origin) using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys-(Dnp)-NH2 as substrate after 4 hrs by fluorometric assay
50042562	8	ChEMBL_940803 (CHEMBL2330331)	Inhibition of MMP-2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042562	9	ChEMBL_940804 (CHEMBL2330332)	Inhibition of MMP-1 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 4 hrs by fluorometric assay
50042563	1	ChEMBL_940846 (CHEMBL2330426)	Inhibition of recombinant 6-His-tagged SLAM associated protein SH2 domain (unknown origin) expressed in Escherichia coli BL21(DE3) binding to biotinyl-KKSLTIpYAQVQK-NH2 attached to NeutrAvidin-coated plates using p-nitrophenyl phosphate as substrate after 1 hr
50042565	1	ChEMBL_940867 (CHEMBL2330486)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in human jurkat cell membrane after 2 hrs by liquid scintillation counting analysis in presence of haloperidol
50042565	2	ChEMBL_940879 (CHEMBL2330498)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis
50042566	1	ChEMBL_940885 (CHEMBL2330504)	Activation of human RXRalpha activity expressed in COS1 cells after 12 hrs by RXRE-luciferase reporter gene assay
50042567	1	ChEMBL_940979 (CHEMBL2330669)	Inhibition of human recombinant full length arginase I overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 mins by spectrophotometric analysis
50042567	2	ChEMBL_940978 (CHEMBL2330668)	Inhibition of human recombinant fully active truncated form of arginase 2 overexpressed in Escherichia coli BL21(DE3) assessed as inhibition of urea formation after 60 mins by spectrophotometric analysis
50042567	3	ChEMBL_940977 (CHEMBL2330667)	Inhibition of human arginase 1 transfected in CHO cells assessed as inhibition of urea formation after 24 hrs by spectrophotometric analysis
50042568	1	ChEMBL_941003 (CHEMBL2330729)	Inhibition of human recombinant PARP1 after 1 hr by ELISA
50042569	1	ChEMBL_941020 (CHEMBL2330781)	Displacement of [3H]astemizole from human ERG K+ channel expressed in HEK293 cells by scintillation spectrophotometric analysis
50042569	2	ChEMBL_941017 (CHEMBL2330743)	Inhibition of human ERG K+ channel expressed in HEK293 cells after 15 mins by patch clamp assay
50042570	1	ChEMBL_941156 (CHEMBL2330982)	Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay
50042570	2	ChEMBL_941021 (CHEMBL2330782)	Inhibition of CYP3A4 (unknown origin)
50042570	3	ChEMBL_941025 (CHEMBL2330786)	Inhibition of TNSK1 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay
50042571	1	ChEMBL_941167 (CHEMBL2330993)	Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay
50042572	1	ChEMBL_941189 (CHEMBL2329700)	Inhibition of Clostridium botulinum recombinant neurotoxin A light chain using SNAPtide as substrate after 1 hr by FRET assay
50042572	2	ChEMBL_941191 (CHEMBL2329702)	Binding affinity to Clostridium botulinum neurotoxin A light chain at 390 uM by isothermal titration assay
50042573	1	ChEMBL_941282 (CHEMBL2329872)	Displacement of ephrin-A1-Fc from EphA5 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	2	ChEMBL_941284 (CHEMBL2329874)	Displacement of ephrin-A1-Fc from EphA4 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	3	ChEMBL_941283 (CHEMBL2329873)	Displacement of ephrin-A1-Fc from EphA3 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	5	ChEMBL_941286 (CHEMBL2329910)	Displacement of ephrin-A1-Fc from EphA1 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	6	ChEMBL_941272 (CHEMBL2329862)	Antagonist activity at EphA2 receptor in human PC3 cells assessed as inhibition of ephrin-A1-Fc-stimulated cell retraction pretreated for 15 mins by fluorescence microscopy
50042573	8	ChEMBL_941275 (CHEMBL2329865)	Displacement of ephrin-B1-Fc from EphB6 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	9	ChEMBL_941274 (CHEMBL2329864)	Displacement of ephrin-B1-Fc from EphB4 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	10	ChEMBL_941276 (CHEMBL2329866)	Displacement of ephrin-B1-Fc from EphB3 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	11	ChEMBL_941277 (CHEMBL2329867)	Displacement of ephrin-B1-Fc from EphB2 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	12	ChEMBL_941279 (CHEMBL2329869)	Displacement of ephrin-B1-Fc from EphB1 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	13	ChEMBL_941278 (CHEMBL2329868)	Displacement of ephrin-A1-Fc from EphA8 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50042573	14	ChEMBL_941281 (CHEMBL2329871)	Displacement of ephrin-A1-Fc from EphA7 receptor Fc ectodomain (unknown origin) after 1 hr by ELISA
50002415	2	ChEMBL_1762841 (CHEMBL4198088)	Inhibition of dimerization of HIS/FLAG tagged Leishmania infantum trypanothione reductase incubated for 16 hrs by ELISA
50042574	1	ChEMBL_941531 (CHEMBL2330522)	Inhibition of plasminogen/fibrinogen interaction in pooled citreated human platelet-poor plasma assessed as inhibition of lysis of CaCl2/t-PA-induced clot by microtiter plate analysis
50042574	2	ChEMBL_941530 (CHEMBL2330521)	Inhibition of human Glu-plasminogen/fibrinogen interaction in HEPES buffer assessed as inhibition of lysis of thrombin-induced clot preincubated for 15 mins prior to thrombin addition measured for 15 hrs by clot-lysis buffer assay
50042575	1	ChEMBL_941535 (CHEMBL2330526)	Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as inhibition of L-tryptophan to N-formylkynurenine formation measured as residual enzyme activity incubated for 15 mins prior to substrate addition measured after 30 mins by UV-vis spectrophotometric analysis relative to DMSO-treated control
50042576	1	ChEMBL_941622 (CHEMBL2330704)	Inhibition of human neuraminidase 1 using 4MU-NANA as substrate after 30 mins by fluorescence assay
50042576	2	ChEMBL_941546 (CHEMBL2330586)	Inhibition of human neuraminidase 4 using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50002417	1	ChEMBL_1762886 (CHEMBL4198133)	Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growth by fluorescence based analysis
50042576	4	ChEMBL_941548 (CHEMBL2330588)	Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50042576	5	ChEMBL_941624 (CHEMBL2330706)	Inhibition of Vibrio cholerae neuraminidase
50042576	6	ChEMBL_941546 (CHEMBL2330586)	Inhibition of human neuraminidase 4 using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50002418	1	ChEMBL_1762942 (CHEMBL4198189)	Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 catalytic domain expressed in Baculovirus infected Sf9 insect cells using FAM-cGMP as substrate after 1 hr by fluorescence polarization assay
50042576	7	ChEMBL_941547 (CHEMBL2330587)	Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50042576	8	ChEMBL_941548 (CHEMBL2330588)	Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay
50042577	1	ChEMBL_941644 (CHEMBL2330762)	Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis
50042577	2	ChEMBL_941642 (CHEMBL2330760)	Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2 hrs by liquid scintillation counting analysis
50042577	3	ChEMBL_941648 (CHEMBL2330766)	Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis
50042578	1	ChEMBL_941663 (CHEMBL2330833)	Inhibition of MOR in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-stimulated muscle contraction after 3 mins
50042578	2	ChEMBL_941665 (CHEMBL2330835)	Inhibition of DOR in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction after 3 mins
50042578	3	ChEMBL_941666 (CHEMBL2330836)	Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis
50042578	4	ChEMBL_941667 (CHEMBL2330837)	Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis
50042579	1	ChEMBL_943908 (CHEMBL2339469)	Agonist activity at GPR55 (unknown origin) expressed in CHO cells assessed as inhibition of LPI-induced beta-arrestin translocation after 90 mins by luminescence assay
50042579	2	ChEMBL_943915 (CHEMBL2339882)	Agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 5 mins by cAMP-competition binding assay
50042579	3	ChEMBL_943916 (CHEMBL2339883)	Agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 5 mins by cAMP-competition binding assay
50042579	4	ChEMBL_943917 (CHEMBL2339884)	Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50042579	5	ChEMBL_943918 (CHEMBL2339885)	Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50042579	6	ChEMBL_943906 (CHEMBL2339467)	Partial agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940
50042579	7	ChEMBL_943907 (CHEMBL2339468)	Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940
50042580	1	ChEMBL_943944 (CHEMBL2339911)	Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF competitive immunoassay
50042580	2	ChEMBL_943956 (CHEMBL2340400)	Agonist activity at mouse TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF competitive immunoassay
50042580	3	ChEMBL_943954 (CHEMBL2339921)	Agonist activity at rat TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF competitive immunoassay
50042580	4	ChEMBL_943955 (CHEMBL2339922)	Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF competitive immunoassay
50042580	5	ChEMBL_943924 (CHEMBL2339891)	Agonist activity at human recombinant TGR5 expressed in NCI-H716 cells assessed as increase in intracellular cAMP measured after 1 hr
50042580	6	ChEMBL_943922 (CHEMBL2339889)	Agonist activity at human TGR5 in human PBMC cells assessed as increase in intracellular cAMP measured after 1 hr by human whole blood assay
50042580	7	ChEMBL_943930 (CHEMBL2339897)	Inhibition of human ERG
50042580	8	ChEMBL_943935 (CHEMBL2339902)	Inhibition of CYP3A4 (unknown origin)
50042580	9	ChEMBL_943937 (CHEMBL2339904)	Inhibition of CYP2D6 (unknown origin)
50042580	10	ChEMBL_943938 (CHEMBL2339905)	Inhibition of CYP2C19 (unknown origin)
50042580	11	ChEMBL_943940 (CHEMBL2339907)	Inhibition of CYP2C9 (unknown origin)
50042580	12	ChEMBL_943939 (CHEMBL2339906)	Inhibition of CYP1A2 (unknown origin)
50042580	13	ChEMBL_943928 (CHEMBL2339895)	Agonist activity at GST-tagged human FXR assessed as binding of receptor to cofactor by TRF method
50042580	14	ChEMBL_943929 (CHEMBL2339896)	Antagonist activity at human FXR assessed as ligand dependent binding of cofactor to the receptor-ligand complex by TRF method
50042581	1	ChEMBL_944490 (CHEMBL2346293)	Inhibition of human PI3Kdelta
50042581	2	ChEMBL_944491 (CHEMBL2346294)	Inhibition of human PI3Kgamma
50042581	3	ChEMBL_944492 (CHEMBL2346295)	Inhibition of human PI3Kalpha
50042581	4	ChEMBL_944957 (CHEMBL2343996)	Inhibition of mouse PI3Kalpha
50042581	5	ChEMBL_944958 (CHEMBL2343997)	Inhibition of mTOR (unknown origin)
50042582	1	ChEMBL_944966 (CHEMBL2344457)	Displacement of Eu-NDP-alpha-MSH from human MC4R expressed in HEK293 cells by time resolved fluorescence binding assay
50042583	1	ChEMBL_944981 (CHEMBL2344472)	Time-dependent inhibition of CYP3A4 in human liver microsome using midazolam as substrate by TDI shift assay
50042583	2	ChEMBL_944980 (CHEMBL2344471)	Inhibition of human ERG by patch clamp assay
50042583	3	ChEMBL_944986 (CHEMBL2344477)	Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay
50042584	1	ChEMBL_945442 (CHEMBL2342553)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 30 mins by fluorescence assay
50042584	2	ChEMBL_945443 (CHEMBL2342554)	Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 30 mins by fluorescence assay
50042584	3	ChEMBL_945444 (CHEMBL2342555)	Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 30 mins by fluorescence assay
50042584	4	ChEMBL_945445 (CHEMBL2342556)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 30 mins by fluorescence assay
50042585	1	ChEMBL_945471 (CHEMBL2343015)	Inhibition of human ERG assessed as decrease in tail current amplitude measured after 5 mins by whole cell patch clamp technique
50042585	2	ChEMBL_945475 (CHEMBL2343019)	Partial agonist activity at human M1 receptor in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay
50042585	3	ChEMBL_945483 (CHEMBL2343487)	Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay
50042586	1	ChEMBL_945491 (CHEMBL2343495)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % MeOH as solvent
50042586	2	ChEMBL_945492 (CHEMBL2343496)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % MeOH as solvent
50042586	3	ChEMBL_945943 (CHEMBL2341017)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % MeOH as solvent
50042586	4	ChEMBL_945942 (CHEMBL2341016)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % PEG3350 as solvent
50042586	5	ChEMBL_945944 (CHEMBL2341018)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % DMSO as solvent
50042586	6	ChEMBL_945947 (CHEMBL2341021)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % PEG3350 as solvent
50042586	7	ChEMBL_945949 (CHEMBL2341023)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % PEG3350 as solvent
50042586	8	ChEMBL_945948 (CHEMBL2341022)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMF as solvent
50042586	9	ChEMBL_945950 (CHEMBL2341024)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % DMSO as solvent
50042586	10	ChEMBL_945951 (CHEMBL2341025)	Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMSO as solvent
50042586	11	ChEMBL_945952 (CHEMBL2341026)	Binding affinity to GST-tagged human TNF-alpha in 10 mM citrate-phosphate at pH 6.5 by fluorescence assay
50042587	1	ChEMBL_945996 (CHEMBL2341527)	Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
50042587	2	ChEMBL_945997 (CHEMBL2341528)	Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
50042588	1	ChEMBL_946419 (CHEMBL2339599)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis
50042588	2	ChEMBL_946420 (CHEMBL2339600)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis
50042588	3	ChEMBL_946421 (CHEMBL2339601)	Binding affinity to CB2 receptor (unknown origin)
50042588	4	ChEMBL_946010 (CHEMBL2341541)	Agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as increase in forskolin-stimulated cAMP production after 45 mins by TR-FRET assay
50042588	5	ChEMBL_946011 (CHEMBL2341542)	Inverse agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP production after 45 mins by TR-FRET assay
50042589	1	ChEMBL_946427 (CHEMBL2339607)	Agonist activity at IgG1 Fc region fused-immobilized EphA2 ectodomain (unknown origin) assessed as inhibition of EphA2/ephrin-A5 AP interaction incubated for 3 hrs by ELISA
50042590	1	ChEMBL_946433 (CHEMBL2339613)	Displacement of N-terminal isothiocyanate-fluorescein-labeled H3(ARTKQTARKSTGGKA) peptide from human WDR5 expressed in Escherichia coli BL21(DE3) by fluorescence polarization assay
50042590	2	ChEMBL_946432 (CHEMBL2339612)	Displacement of MLL-WIN N-terminal FITC-tagged GSARAEVHLRKS peptide from human WDR5 (1-334) by fluorescence polarization assay
50042590	3	ChEMBL_946434 (CHEMBL2339614)	Antagonist activity at WDR5 (unknown origin)
50042591	1	ChEMBL_946451 (CHEMBL2340048)	Antagonist activity at GABAC rho1 receptor (unknown origin)
50042591	2	ChEMBL_946452 (CHEMBL2340049)	Partial agonist activity at GABAC rho1 receptor (unknown origin)
50042591	3	ChEMBL_946453 (CHEMBL2340050)	Agonist activity at GABAC rho1 receptor (unknown origin)
50042591	4	ChEMBL_946446 (CHEMBL2339626)	Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current preincubated for 5 mins by two electrode voltage clamp assay
50042591	5	ChEMBL_946447 (CHEMBL2339627)	Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current by two electrode voltage clamp assay
50042592	1	ChEMBL_946456 (CHEMBL2340053)	Binding affinity to immobilized HGF (unknown origin) by surface plasmon resonance analysis
50042592	2	ChEMBL_946460 (CHEMBL2340057)	Inhibition of c-Met (unknown origin) using Poly(Glu,Tyr) at 4:1 ratio as substrate preincubated with substrate prior to enzyme addition measured after 60 mins by ELISA
50042593	1	ChEMBL_946470 (CHEMBL2340067)	Inhibition of Alk5 in TGF-beta-stimulated human HepG2 cells assessed as decrease in Smad2 phosphorylation treated for 45 mins prior to TGF-beta stimulation measured after 60 mins by odyssey blot scanner analysis
50042594	1	ChEMBL_946889 (CHEMBL2346000)	Inhibition of human ERG channel
50042595	1	ChEMBL_946917 (CHEMBL2346458)	Inhibition of human dopamine transporter
50042595	2	ChEMBL_947364 (CHEMBL2344148)	Antagonist activity at human P2X7 receptor assessed as inhibition of IL1beta release
50042595	3	ChEMBL_947365 (CHEMBL2344149)	Antagonist activity at human P2X7 receptor assessed as inhibition of YOPRO1 accumulation
50042596	1	ChEMBL_947371 (CHEMBL2344604)	Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphosphate as substrate preincubated with enzyme for 30 mins by spectrophotometric analysis
50042596	2	ChEMBL_947369 (CHEMBL2344602)	Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis
50042597	1	ChEMBL_947372 (CHEMBL2344605)	Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH4C1 cells assessed as potentiation of acetylcholine-induced response by FDSS Ca2+ assay
50042598	1	ChEMBL_947373 (CHEMBL2344606)	Displacement of [125I]RANTES from human CCR5 expressed in CHO cell membranes coexpressing Gal6 after 6 hrs by scintillation counting analysis
50042598	2	ChEMBL_947374 (CHEMBL2344607)	Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis
50042599	1	ChEMBL_947395 (CHEMBL2345044)	Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrate addition measured after 25 mins by HPLC analysis
50042599	2	ChEMBL_947394 (CHEMBL2344627)	Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrate addition measured after 50 mins by HPLC analysis
50042600	1	ChEMBL_947396 (CHEMBL2345045)	Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone as substrate preincubated for 60 mins prior to substrate addition measured after 50 mins by HPLC analysis
50042600	2	ChEMBL_947397 (CHEMBL2345046)	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]11-deoxycorticosterone as substrate preincubated for 60 mins prior to substrate addition measured after 25 mins by HPLC analysis
50002418	2	ChEMBL_1762975 (CHEMBL4198222)	Inhibition of N-terminal GST-tagged full length recombinant human PDE6C expressed in Baculovirus infected Sf9 insect cells using FAM-cAMP as substrate after 1 hr by fluorescence polarization assay
50042601	2	ChEMBL_947398 (CHEMBL2345047)	Inhibition of BACE2-mediated TMEM27 cleavage in rat INS-1E cells expressing doxycycline-dependent human full-length TMEM27 by ELISA
50042602	1	ChEMBL_947405 (CHEMBL2345054)	Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay
50042602	2	ChEMBL_947400 (CHEMBL2345049)	Inhibition of ABCB1 in human KBV1 cells after 10 mins by flow cytometric calcein-AM assay
50042602	3	ChEMBL_947408 (CHEMBL2345057)	Inhibition of ABCB1 in human KBV1 cells after 10 mins by Calcein-AM microplate assay
50042603	1	ChEMBL_947872 (CHEMBL2343148)	Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis
50042604	1	ChEMBL_947883 (CHEMBL2343159)	Inhibition of EGFR (unknown origin) after 20 mins by scintillation counting
50042604	2	ChEMBL_947885 (CHEMBL2343161)	Inhibition of PDGFR-beta (unknown origin) after 20 mins by scintillation counting
50042604	3	ChEMBL_947884 (CHEMBL2343160)	Inhibition of PDGFR-alpha (unknown origin) after 20 mins by scintillation counting
50042604	4	ChEMBL_947886 (CHEMBL2343629)	Inhibition of Flt4 (unknown origin) after 20 mins by scintillation counting
50042604	5	ChEMBL_947887 (CHEMBL2343630)	Inhibition of KDR (unknown origin) after 20 mins by scintillation counting
50042604	6	ChEMBL_947888 (CHEMBL2343631)	Inhibition of GST-Flt1 kinase domain (unknown origin) expressed in baculovirus infected Sf9 cells after 20 mins by scintillation counting
50042605	1	ChEMBL_947915 (CHEMBL2343658)	Displacement of [3H]methyllycaconitine from alpha7 nAChR (unknown origin)
50042605	2	ChEMBL_947916 (CHEMBL2343659)	Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin)
50042605	3	ChEMBL_947914 (CHEMBL2343657)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR (unknown origin)
50042605	4	ChEMBL_947924 (CHEMBL2343667)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR from rat hippocampus
50042605	5	ChEMBL_947917 (CHEMBL2343660)	Displacement of [3H]nicotine from alpha4beta2 nAChR (unknown origin)
50042606	1	ChEMBL_942103 (CHEMBL2340801)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042606	2	ChEMBL_942104 (CHEMBL2340802)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042606	3	ChEMBL_942105 (CHEMBL2340803)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042606	4	ChEMBL_942106 (CHEMBL2340804)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042606	5	ChEMBL_942101 (CHEMBL2340799)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042606	6	ChEMBL_942102 (CHEMBL2340800)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042607	1	ChEMBL_942113 (CHEMBL2341269)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042607	2	ChEMBL_942114 (CHEMBL2341270)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042607	3	ChEMBL_942111 (CHEMBL2340809)	Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042607	4	ChEMBL_942112 (CHEMBL2340810)	Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042608	1	ChEMBL_942118 (CHEMBL2341274)	Binding affinity to human full-length His-tagged Myt1 kinase expressed in HEK293 cells by TR-FRET based binding assay
50042609	1	ChEMBL_942122 (CHEMBL2341278)	Inhibition of EGFR (unknown origin)
50042609	2	ChEMBL_942123 (CHEMBL2341279)	Inhibition of EGFR in human A431 cells
50042609	3	ChEMBL_942125 (CHEMBL2341281)	Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 hr by ELISA
50042610	1	ChEMBL_942126 (CHEMBL2341282)	Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042610	2	ChEMBL_942127 (CHEMBL2341283)	Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042610	3	ChEMBL_942128 (CHEMBL2341284)	Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042610	4	ChEMBL_942129 (CHEMBL2341285)	Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042610	5	ChEMBL_942130 (CHEMBL2341286)	Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042610	6	ChEMBL_942131 (CHEMBL2341287)	Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay
50042611	1	ChEMBL_942132 (CHEMBL2341288)	Inhibition of human esterase activity of carbonic anhydrase 9 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis
50042611	2	ChEMBL_942133 (CHEMBL2341289)	Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis
50042611	3	ChEMBL_942134 (CHEMBL2341290)	Inhibition of human esterase activity of carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis
50042612	1	ChEMBL_942137 (CHEMBL2341293)	Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
50042612	2	ChEMBL_942138 (CHEMBL2341294)	Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	1	ChEMBL_942146 (CHEMBL2341302)	Inhibition of human carbonic anhydrase 5A preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	2	ChEMBL_942147 (CHEMBL2341303)	Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	3	ChEMBL_942149 (CHEMBL2341305)	Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	4	ChEMBL_942148 (CHEMBL2341304)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	5	ChEMBL_942150 (CHEMBL2341306)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	6	ChEMBL_942139 (CHEMBL2341295)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	7	ChEMBL_942140 (CHEMBL2341296)	Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	8	ChEMBL_942141 (CHEMBL2341297)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	9	ChEMBL_942142 (CHEMBL2341298)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	10	ChEMBL_942143 (CHEMBL2341299)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	11	ChEMBL_942144 (CHEMBL2341300)	Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042613	12	ChEMBL_942145 (CHEMBL2341301)	Inhibition of human carbonic anhydrase 5B preincubated for 15 mins by CO2 hydration stopped-flow assay
50042614	1	ChEMBL_942151 (CHEMBL2341307)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042614	2	ChEMBL_942152 (CHEMBL2341785)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042614	3	ChEMBL_942153 (CHEMBL2341786)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042614	4	ChEMBL_942154 (CHEMBL2341787)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042615	1	ChEMBL_942558 (CHEMBL2338935)	Inhibition of human recombinant GSK3beta using 650HSSPHQ(pS)EDEEE as substrate after 30 mins by luminescence assay
50042615	2	ChEMBL_942559 (CHEMBL2338936)	Inhibition of GSK3beta (unknown origin)
50042616	1	ChEMBL_943443 (CHEMBL2341887)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042617	1	ChEMBL_943445 (CHEMBL2341889)	Inhibition of human carbonic anhydrase 9
50042617	2	ChEMBL_943444 (CHEMBL2341888)	Inhibition of human carbonic anhydrase 12
50042618	1	ChEMBL_943446 (CHEMBL2341890)	Binding affinity to synthetic peptide mimicking HER2 subdomain 4 (unknown origin) by fluorescence spectroscopic analysis
50042619	1	ChEMBL_943447 (CHEMBL2341891)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis
50042619	2	ChEMBL_943448 (CHEMBL2341892)	Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysis
50042620	1	ChEMBL_943452 (CHEMBL2341896)	Inhibition of MEK1 (unknown origin)
50042620	2	ChEMBL_943453 (CHEMBL2341897)	Inhibition of human cathepsin L
50042621	1	ChEMBL_943469 (CHEMBL2342409)	Inhibition of human carbonic anhydrase 12
50042622	1	ChEMBL_943475 (CHEMBL2342415)	Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before adding cells by phosphatase assay
50042623	1	ChEMBL_943964 (CHEMBL2340408)	Inhibition of [3H]dopamine uptake at human NET expressed in COS7 cells after 5 mins by beta-counting
50042623	2	ChEMBL_943962 (CHEMBL2340406)	Inhibition of [3H]dopamine uptake at human DAT expressed in COS7 cells after 3 mins by beta-counting
50042623	3	ChEMBL_943963 (CHEMBL2340407)	Inhibition of [3H]5-HT uptake at human SERT expressed in COS7 cells after 3 mins by beta-counting
50042624	1	ChEMBL_943971 (CHEMBL2340415)	Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay
50042624	2	ChEMBL_943972 (CHEMBL2340416)	Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay
50042624	3	ChEMBL_943973 (CHEMBL2340417)	Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay
50042625	1	ChEMBL_944535 (CHEMBL2339051)	Displacement of [125I]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis
50042625	2	ChEMBL_944534 (CHEMBL2339050)	Displacement of [3H]-LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis
50042625	3	ChEMBL_944533 (CHEMBL2339049)	Displacement of [125I]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by scintillation counting analysis
50042625	4	ChEMBL_944530 (CHEMBL2346333)	Agonist activity at 5-HT2A receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay
50042625	5	ChEMBL_944531 (CHEMBL2339047)	Agonist activity at 5-HT2B receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay
50042625	6	ChEMBL_944532 (CHEMBL2339048)	Agonist activity at 5-HT2C receptor in HEK293E cells assessed as elevation of intracellular calcium level measured for 90 secs by FLIPR assay
50042625	7	ChEMBL_944014 (CHEMBL2340915)	Agonist activity at 5-HT2A receptor (unknown origin)
50042625	8	ChEMBL_944013 (CHEMBL2340914)	Agonist activity at 5-HT2B receptor (unknown origin)
50042625	9	ChEMBL_944015 (CHEMBL2340916)	Agonist activity at 5-HT2C receptor (unknown origin)
50042626	1	ChEMBL_944553 (CHEMBL2339069)	Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells
50042626	2	ChEMBL_944549 (CHEMBL2339065)	Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secretion measured after 3 days by enzyme-immunoassay
50042626	3	ChEMBL_944551 (CHEMBL2339067)	Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luciferase activity by reporter gene assay
50042627	1	ChEMBL_944555 (CHEMBL2339071)	Binding affinity to recombinant His-tagged Grb10 interacting GYF protein 2 (745-1030 amino acids) (unknown origin) by surface plasmon resonance analysis
50042628	1	ChEMBL_944558 (CHEMBL2339074)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042628	2	ChEMBL_944559 (CHEMBL2339075)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042628	3	ChEMBL_944562 (CHEMBL2339078)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042629	1	ChEMBL_945513 (CHEMBL2343517)	Inhibition of PDE3A (unknown origin) by radiochemical assay
50042629	2	ChEMBL_945512 (CHEMBL2343516)	Inhibition of PDE4B (unknown origin) by radiochemical assay
50042630	1	ChEMBL_945534 (CHEMBL2344011)	Inhibition of human recombinant CYP2D6-mediated 7-methoxy-4(aminomethyl)-coumarine degradation
50042630	2	ChEMBL_945538 (CHEMBL2344015)	Inhibition of human ERG expressed in CHO cells by IONWORKS assay
50042630	3	ChEMBL_945536 (CHEMBL2344013)	Inhibition of human T-type calcium channel Cav3.2 expressed in T-Rex293 cells by whole cell patch clamp assay
50042630	4	ChEMBL_945523 (CHEMBL2343527)	Inhibition of human recombinant CYP2C8
50042630	5	ChEMBL_945524 (CHEMBL2343528)	Inhibition of human recombinant CYP1A2
50042630	6	ChEMBL_945525 (CHEMBL2344002)	Inhibition of human recombinant CYP2C19
50042630	7	ChEMBL_945526 (CHEMBL2344003)	Inhibition of human recombinant CYP2C9
50042630	8	ChEMBL_945527 (CHEMBL2344004)	Inhibition of human recombinant CYP3A4
50042630	9	ChEMBL_945528 (CHEMBL2344005)	Inhibition of human Kv4.3 channel expressed in CHO cells by IONWORKS patch clamp assay
50042630	10	ChEMBL_945530 (CHEMBL2344007)	Inhibition of human HCN4 channel expressed in CHO cells by IONWORKS patch clamp assay
50042630	11	ChEMBL_945531 (CHEMBL2344008)	Inhibition of human Nav1.5 channel expressed in CHO cells by IONWORKS patch clamp assay
50042630	12	ChEMBL_945532 (CHEMBL2344009)	Inhibition of calcium channel Cav1.2 (unknown origin) expressed in CHO cells by IONWORKS patch clamp assay
50042630	13	ChEMBL_945539 (CHEMBL2344016)	Inhibition of T-type calcium channel Cav3.2 (unknown origin) by IONWORKS assay
50042631	1	ChEMBL_946025 (CHEMBL2342062)	Inhibition of human ERG
50042631	2	ChEMBL_946026 (CHEMBL2342063)	Inhibition of CYP2D6 (unknown origin)
50042631	3	ChEMBL_946028 (CHEMBL2342065)	Inhibition of CYP2C19 (unknown origin)
50042631	4	ChEMBL_946027 (CHEMBL2342064)	Inhibition of CYP2C9 (unknown origin)
50042631	5	ChEMBL_946029 (CHEMBL2342066)	Inhibition of CYP1A2 (unknown origin)
50042631	6	ChEMBL_946030 (CHEMBL2342067)	Inhibition of CYP3A4 (unknown origin)
50042631	7	ChEMBL_946051 (CHEMBL2342088)	Inhibition of human thymidylate kinase
50042632	1	ChEMBL_946060 (CHEMBL2342097)	Inhibition of human carbonic anhydrase-9
50042632	2	ChEMBL_946061 (CHEMBL2342098)	Inhibition of human carbonic anhydrase-2
50042632	3	ChEMBL_946062 (CHEMBL2342099)	Inhibition of human carbonic anhydrase-1
50042632	4	ChEMBL_946059 (CHEMBL2342096)	Inhibition of human carbonic anhydrase-12
50042633	1	ChEMBL_946070 (CHEMBL2342563)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide from p-tyramine after 15 mins by Amplex Red assay
50042633	2	ChEMBL_946072 (CHEMBL2342565)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide from p-tyramine after 15 mins by Amplex Red assay
50042634	1	ChEMBL_946512 (CHEMBL2340565)	Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine oxidation by spectrophotometry
50042634	2	ChEMBL_946511 (CHEMBL2340564)	Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine oxidation by spectrophotometry
50042635	1	ChEMBL_946928 (CHEMBL2346469)	Inhibition of IDO1 (unknown origin)
50042635	2	ChEMBL_946933 (CHEMBL2346474)	Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins
50042635	3	ChEMBL_946932 (CHEMBL2346473)	Uncompetitive inhibition of hexahistidyl-tagged human IDO1
50042636	1	ChEMBL_946949 (CHEMBL2339198)	Inhibition of Europium-labeled human VCAM1 binding to human VLA4 expressed in Chinese hamster 4B4 cells incubated for 60 mins by fluorometric assay
50042636	2	ChEMBL_946948 (CHEMBL2339197)	Inhibition of Europium-labeled human VCAM1 binding to human VLA4 expressed in Chinese hamster 4B4 cells incubated for 60 mins in presence of 3% HSA by fluorometric assay
50042637	1	ChEMBL_947452 (CHEMBL2345528)	Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphorylation by HTRF assay in presence of ATP
50042637	2	ChEMBL_947445 (CHEMBL2345521)	Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay in presence of ATP
50042637	3	ChEMBL_947446 (CHEMBL2345522)	Inhibition of CSF1R (unknown origin) by TR-FRET assay in presence of ATP
50042638	1	ChEMBL_947461 (CHEMBL2345537)	Binding affinity to Bcl-xL (unknown origin)
50042638	2	ChEMBL_947458 (CHEMBL2345534)	Binding affinity to Mcl-1 (unknown origin) by fluorescence polarization assay
50042638	3	ChEMBL_947456 (CHEMBL2345532)	Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis
50042639	1	ChEMBL_947949 (CHEMBL2344170)	Inhibition of AKT1 (unknown origin)
50042639	2	ChEMBL_947948 (CHEMBL2344169)	Inhibition of ARK5 (unknown origin)
50042639	3	ChEMBL_947947 (CHEMBL2344168)	Inhibition of aurora-A (unknown origin)
50002418	3	ChEMBL_1762970 (CHEMBL4198217)	Inhibition of human corpus cavernosum PDE5
50042639	5	ChEMBL_947943 (CHEMBL2344164)	Inhibition of CK2-alpha1 (unknown origin)
50042639	6	ChEMBL_947941 (CHEMBL2344162)	Inhibition of COT (unknown origin)
50042639	7	ChEMBL_947940 (CHEMBL2344161)	Inhibition of EGFR (unknown origin)
50042639	8	ChEMBL_947938 (CHEMBL2344159)	Inhibition of EPHB4 (unknown origin)
50042639	9	ChEMBL_947939 (CHEMBL2344160)	Inhibition of ERBB2 (unknown origin)
50042639	10	ChEMBL_947937 (CHEMBL2344158)	Inhibition of FLT3 (unknown origin)
50042639	11	ChEMBL_947484 (CHEMBL2345560)	Inhibition of IGF1R (unknown origin)
50042639	12	ChEMBL_947935 (CHEMBL2344156)	Inhibition of FAK (unknown origin)
50042639	13	ChEMBL_947936 (CHEMBL2344157)	Inhibition of INSR (unknown origin)
50042639	14	ChEMBL_947483 (CHEMBL2345559)	Inhibition of MET (unknown origin)
50042639	15	ChEMBL_947482 (CHEMBL2345558)	Inhibition of PDGFR-beta (unknown origin)
50042639	16	ChEMBL_947481 (CHEMBL2345557)	Inhibition of PLK1 (unknown origin)
50042639	17	ChEMBL_947480 (CHEMBL2345556)	Inhibition of SAK (unknown origin)
50042639	18	ChEMBL_947479 (CHEMBL2345555)	Inhibition of SRC (unknown origin)
50042639	19	ChEMBL_947478 (CHEMBL2345554)	Inhibition of TIE2 (unknown origin)
50042639	20	ChEMBL_947476 (CHEMBL2345552)	Inhibition of VEGFR2 (unknown origin)
50042639	21	ChEMBL_947477 (CHEMBL2345553)	Inhibition of VEGFR3 (unknown origin)
50042640	1	ChEMBL_947984 (CHEMBL2344634)	Inhibition of Yes1 (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay
50042640	2	ChEMBL_947985 (CHEMBL2344635)	Inhibition of Lck (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay
50042640	3	ChEMBL_947987 (CHEMBL2344637)	Inhibition of Src (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay
50042640	4	ChEMBL_947986 (CHEMBL2344636)	Inhibition of Abl (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay
50042640	5	ChEMBL_947995 (CHEMBL2344645)	Inhibition of EphB4 (unknown origin) transfected in CHO cells using Z'-LYTE TYR-1 peptide as substrate after 2 hrs by FRET assay
50042640	6	ChEMBL_947994 (CHEMBL2344644)	Inhibition of EphB4 (unknown origin) transfected in CHO cells using [gamma-33P]ATP by radiometric assay
50042640	7	ChEMBL_947993 (CHEMBL2344643)	Inhibition of human myc-tagged full length EphB4 expressed in MEF cells assessed as inhibition of ephrinB2-Fc-induced autophosphorylation incubated for 90 mins prior to ephrinB2-Fc-induction measured after 2 hrs by sandwich ELISA
50042640	8	ChEMBL_947962 (CHEMBL2344183)	Inhibition of EphB4 (unknown origin) using [gamma-33P]ATP by radiometric assay
50042640	9	ChEMBL_947963 (CHEMBL2344184)	Inhibition of EphB4 (unknown origin) using Z'-LYTE TYR-1 peptide as substrate after 2 hrs by FRET assay
50042641	1	ChEMBL_948437 (CHEMBL2342727)	Inhibition of human ERG
50042641	2	ChEMBL_948439 (CHEMBL2342729)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by scintillation counting analysis
50042641	3	ChEMBL_948440 (CHEMBL2342730)	Displacement of [125I] Substance P from human NK1 receptor expressed in human U373 cell membranes after 1 hr by scintillation counting analysis
50042642	1	ChEMBL_948910 (CHEMBL2341204)	Agonist activity at human PPARdelta expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay
50042642	2	ChEMBL_948911 (CHEMBL2341205)	Agonist activity at human PPARgamma expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay
50042642	3	ChEMBL_948912 (CHEMBL2341206)	Agonist activity at human PPARalpha expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay
50042643	1	ChEMBL_949339 (CHEMBL2339337)	Inhibition of Escherichia coli MurA expressed in Escherichia coli BL21(lambdaDE3) using UNAG and PEP as substrate incubated for 10 mins prior to PEP addition measured after 60 mins by spectrophotometric analysis
50042644	1	ChEMBL_949340 (CHEMBL2339338)	Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042644	2	ChEMBL_949341 (CHEMBL2339339)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042644	3	ChEMBL_949342 (CHEMBL2339340)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042644	4	ChEMBL_949343 (CHEMBL2339341)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042644	5	ChEMBL_949344 (CHEMBL2339342)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042645	1	ChEMBL_949377 (CHEMBL2339792)	Inhibition of human DNA polymerase kappa using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50002418	4	ChEMBL_1762976 (CHEMBL4198223)	Inhibition of N-terminal GST-tagged full length recombinant human PDE11A expressed in Baculovirus infected Sf9 insect cells using FAM-cAMP as substrate after 1 hr by fluorescence polarization assay
50042645	3	ChEMBL_949379 (CHEMBL2339794)	Inhibition of human DNA polymerase eta using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042645	4	ChEMBL_949380 (CHEMBL2339795)	Inhibition of calf TdT polymerase measured at 37 degC for 60 mins
50042645	5	ChEMBL_942163 (CHEMBL2341796)	Inhibition of human DNA polymerase mu using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042645	6	ChEMBL_942169 (CHEMBL2341802)	Inhibition of human DNA polymerase gamma using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042645	7	ChEMBL_942165 (CHEMBL2341798)	Inhibition of rat DNA polymerase beta using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042645	9	ChEMBL_942169 (CHEMBL2341802)	Inhibition of human DNA polymerase gamma using poly(dA)/oligo(dT)18 (A/T, 2/1)/dTTP DNA template-primer substrate measured at 37 degC for 60 mins
50042646	1	ChEMBL_942632 (CHEMBL2339394)	Inhibition of recombinant VEGF-A/VEGFR-1 (unknown origin) interaction after 1 hr by ELISA
50042646	2	ChEMBL_942633 (CHEMBL2339395)	Inhibition of recombinant PlGF-1/VEGFR-1 (unknown origin) interaction after 1 hr by ELISA
50042646	3	ChEMBL_942631 (CHEMBL2339393)	Binding affinity to recombinant VEGFA (unknown origin) measured for 60 seconds by surface plasmon resonance assay
50042646	4	ChEMBL_942634 (CHEMBL2339396)	Binding affinity to recombinant PIGF1 (unknown origin) measured for 60 seconds by surface plasmon resonance assay
50042647	1	ChEMBL_943537 (CHEMBL2342918)	Inhibition of TERT activity in human H1299 cells homogenates incubated for 5 mins by TRAP assay
50042648	1	ChEMBL_944079 (CHEMBL2341912)	Inhibition of human BChE using butyrylthiocholine as substrate by spectrophotometric assay
50042648	2	ChEMBL_944080 (CHEMBL2341913)	Inhibition of human AChE using acetylthiocholine as substrate by spectrophotometric assay
50042648	3	ChEMBL_944081 (CHEMBL2341914)	Inhibition of human iCE using CPT-11 as substrate by spectrophotometric assay
50042648	4	ChEMBL_944082 (CHEMBL2341915)	Inhibition of human iCE using o-NPA as substrate by spectrophotometric assay
50042648	5	ChEMBL_944083 (CHEMBL2341916)	Inhibition of human CE1 using o-NPA as substrate by spectrophotometric assay
50042649	1	ChEMBL_944087 (CHEMBL2341920)	Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay
50042649	2	ChEMBL_944088 (CHEMBL2341921)	Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay
50042649	3	ChEMBL_944089 (CHEMBL2341922)	Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay
50042649	4	ChEMBL_944086 (CHEMBL2341919)	Agonist at human PPARgamma LBD expressed in human HEK293 cells cotransfected with GAL4-Luc assessed as transcriptional activation by luciferase reporter gene assay
50042650	1	ChEMBL_944091 (CHEMBL2341924)	Inhibition of MMP12 (unknown origin)
50042650	2	ChEMBL_944092 (CHEMBL2341925)	Inhibition of MMP1 (unknown origin)
50042650	3	ChEMBL_944094 (CHEMBL2341927)	Inhibition of MMP9 (unknown origin)
50042650	4	ChEMBL_944578 (CHEMBL2339483)	Inhibition of human recombinant MMP9 using (7-amino-4-methyl-coumarin)-Pro-Leu-Gly-Leu-(dinitrophenylamine)-Ala-Arg- NH2 as substrate by fluorimetric analysis
50042650	5	ChEMBL_944580 (CHEMBL2339485)	Inhibition of human recombinant MMP2 using (7-amino-4-methyl-coumarin)-Pro-Leu-Gly-Leu-(dinitrophenylamine)-Ala-Arg- NH2 as substrate by fluorimetric analysis
50042650	6	ChEMBL_944581 (CHEMBL2339486)	Inhibition of MMP14 (unknown origin)
50042650	7	ChEMBL_944582 (CHEMBL2339487)	Inhibition of MMP3 (unknown origin)
50042650	8	ChEMBL_944584 (CHEMBL2339489)	Inhibition of MMP13 (unknown origin)
50042650	9	ChEMBL_944583 (CHEMBL2339488)	Inhibition of MMP2 (unknown origin)
50042650	10	ChEMBL_944588 (CHEMBL2339493)	Inhibition of human recombinant MMP9
50042650	11	ChEMBL_944587 (CHEMBL2339492)	Inhibition of human recombinant MMP3
50042650	12	ChEMBL_944589 (CHEMBL2339494)	Inhibition of human recombinant MMP2
50042650	13	ChEMBL_944590 (CHEMBL2339495)	Inhibition of human recombinant MMP1
50042651	1	ChEMBL_944593 (CHEMBL2339498)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042651	2	ChEMBL_944594 (CHEMBL2339499)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042651	3	ChEMBL_944595 (CHEMBL2339500)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042651	4	ChEMBL_944596 (CHEMBL2339501)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50042652	1	ChEMBL_944630 (CHEMBL2339937)	Inhibition of Staphylococcus aureus Newman His6-tagged MgrA expressed in Escherichia coli BL21(DE3) using 5'-6-F-TAAACAACAAGTTGTCCAAA-3' as substrate after 20 mins by fluorescence anisotropic analysis
50042652	2	ChEMBL_944631 (CHEMBL2339938)	Inhibition of Staphylococcus aureus RN6390B Agr-mediated RNA3 promoter activation measured up to 6 hrs by Northern blot analysis
50042654	1	ChEMBL_946081 (CHEMBL2342574)	Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay
50042654	2	ChEMBL_946080 (CHEMBL2342573)	Transactivation of GAL4 DBD-fused human PPARgamma-LBD expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50042654	3	ChEMBL_945618 (CHEMBL2344952)	Inhibition of CYP3A4 (unknown origin)
50042655	1	ChEMBL_946125 (CHEMBL2343053)	Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured for 90 secs by fluorescence assay
50042655	2	ChEMBL_946126 (CHEMBL2343054)	Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured for 90 secs by fluorescence assay
50042655	3	ChEMBL_946127 (CHEMBL2343529)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by fluorescence assay
50042655	4	ChEMBL_946128 (CHEMBL2343530)	Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by fluorescence assay
50042655	5	ChEMBL_946114 (CHEMBL2343042)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in tsA201 cell membranes after 1 hr by scintillation counting analysis
50042655	6	ChEMBL_946115 (CHEMBL2343043)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in tsA201 cell membranes after 1 hr by scintillation counting analysis
50042655	7	ChEMBL_946117 (CHEMBL2343045)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins at RT by TR-FRET assay
50042655	8	ChEMBL_946116 (CHEMBL2343044)	Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as accumulation of IP1 incubated for 1 hr at 37 degC followed by 15 mins at RT by TR-FRET assay
50042656	1	ChEMBL_946133 (CHEMBL2343535)	Inhibition of human PDE4B2
50042657	1	ChEMBL_947013 (CHEMBL2339662)	Binding affinity to vasopression V2 receptor (unknown origin) on isolated cell membrane by vasopression-self competition binding assay
50042657	2	ChEMBL_947014 (CHEMBL2339663)	Binding affinity to vasopression V2 receptor (unknown origin) on isolated cell membrane by vasopression competition binding assay
50042658	1	ChEMBL_947490 (CHEMBL2346014)	Inhibition of human MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI 8866 cells labeled with Calcein AM
50042658	2	ChEMBL_947491 (CHEMBL2346015)	Inhibition of human VCAM1 binding to integrin alpha4beta1 receptor in human Ramos cells labeled with Calcein AM
50042659	1	ChEMBL_947528 (CHEMBL2339234)	Inhibition of human MAdCAM1 binding to integrin alpha4beta7 receptor in human RPMI 8866 cells labeled with Calcein AM
50042659	2	ChEMBL_947529 (CHEMBL2339235)	Inhibition of human VCAM1 binding to integrin alpha4beta1 receptor in human Ramos cells labeled with Calcein AM
50042660	1	ChEMBL_947546 (CHEMBL2339252)	Inhibition of human recombinant neutral ceramidase using Acyl-NBD-C12-cer as substrate after 2 hrs by fluorescence assay
50042660	2	ChEMBL_947532 (CHEMBL2339238)	Inhibition of alkaline ceramidase 2 in human HL-60 cells using 3H]C16-ceramide as substrate after 1 hr by liquid scintillation counting analysis
50042661	1	ChEMBL_948012 (CHEMBL2344662)	Inhibition of telomerase in human SGC7901 cells by TRAP assay
50042662	1	ChEMBL_948054 (CHEMBL2345129)	Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay
50042663	1	ChEMBL_948493 (CHEMBL2343194)	Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-AMC as substrate after 45 mins by fluorometric analysis
50042663	2	ChEMBL_948495 (CHEMBL2343196)	Activation of N-terminal His6-tagged SIRT3 (118 to 399 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-AMC as substrate after 45 mins by fluorometric analysis
50042663	3	ChEMBL_948494 (CHEMBL2343195)	Activation of at N-terminal GST-tagged SIRT2 (34 to 356 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-AMC as substrate after 45 mins by fluorometric analysis
50042664	1	ChEMBL_948536 (CHEMBL2343709)	Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillation counting method
50042664	2	ChEMBL_948527 (CHEMBL2343700)	Inhibition of CYP3A4 (unknown origin)
50042664	3	ChEMBL_948531 (CHEMBL2343704)	Inhibition of human ACAT1
50042664	4	ChEMBL_948532 (CHEMBL2343705)	Inhibition of human ACAT2
50042664	5	ChEMBL_948533 (CHEMBL2343706)	Inhibition of human DGAT2
50042665	1	ChEMBL_948540 (CHEMBL2343713)	Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol
50042666	1	ChEMBL_942282 (CHEMBL2343280)	Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter
50042666	2	ChEMBL_942281 (CHEMBL2343279)	Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter
50042666	3	ChEMBL_942279 (CHEMBL2343277)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter
50042666	4	ChEMBL_942280 (CHEMBL2343278)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter
50042666	5	ChEMBL_942278 (CHEMBL2343276)	Agonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proximity assay
50042666	6	ChEMBL_942260 (CHEMBL2342830)	Antagonist activity at dopamine D2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay
50042666	7	ChEMBL_942277 (CHEMBL2342847)	Antagonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay
50042666	8	ChEMBL_942276 (CHEMBL2342846)	Agonist activity at 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS binding by scintillation proximity assay
50042667	1	ChEMBL_943157 (CHEMBL2345733)	Modulation of mGluR5 (unknown origin)
50042667	2	ChEMBL_943154 (CHEMBL2345730)	Inhibition of human ERG
50042667	3	ChEMBL_943155 (CHEMBL2345731)	Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FDSS6000 assay
50042668	1	ChEMBL_943179 (CHEMBL2346210)	Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin) expressed in CHO cell membranes after 60 mins
50042668	2	ChEMBL_943180 (CHEMBL2346211)	Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins
50042668	3	ChEMBL_943178 (CHEMBL2346209)	Antagonist activity at dopamine D2 receptor (unknown origin) transfected in CHO cell membranes assessed as inhibition of forskolin-stimulated cAMP level after 10 mins by flash plate assay in presence of dopamine
50042668	4	ChEMBL_943181 (CHEMBL2346212)	Agonist activity at dopamine D1 receptor (unknown origin) transfected in CHO cell membranes assessed as increase in cAMP level after 8 mins by flash plate assay in presence of dopamine
50042668	5	ChEMBL_943175 (CHEMBL2345751)	Inhibition of CYP2D6 (unknown origin)
50042669	1	ChEMBL_943196 (CHEMBL2346227)	Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr
50042669	2	ChEMBL_943193 (CHEMBL2346224)	Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence of EDTA
50042669	3	ChEMBL_943194 (CHEMBL2346225)	Inhibition of TAMRA-tagged AX4870 labeling of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli incubated for 20 mins prior to AX4870 addition measured after 2 mins by fluorescence assay in presence of 20 uM of ZnCl2
50042669	4	ChEMBL_943195 (CHEMBL2346226)	Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence of 20 uM of ZnCl2
50042669	5	ChEMBL_943192 (CHEMBL2346223)	Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence of FeCl3
50042669	6	ChEMBL_943183 (CHEMBL2346214)	Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in absence of ZnCl2
50042669	7	ChEMBL_943191 (CHEMBL2346222)	Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr in presence of 50 uM of ZnCl2
50042670	1	ChEMBL_943200 (CHEMBL2346231)	Inhibition of 5LOX (unknown origin) using arachidonic acid as substrate after 5 mins by spectrophotometric analysis
50042671	1	ChEMBL_943574 (CHEMBL2343387)	Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline
50042671	2	ChEMBL_943575 (CHEMBL2343388)	Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP assay
50042672	1	ChEMBL_943579 (CHEMBL2343392)	Inhibition of human recombinant IDO assessed as inhibition of indoleamine 2,3-dioxygenase to kynurenine conversion after 60 mins by HPLC analysis
50042673	1	ChEMBL_943587 (CHEMBL2343854)	Competitive inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAP-66mer (141-206aa) as substrate by FRET assay
50042673	2	ChEMBL_943588 (CHEMBL2343855)	Inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAPtide as substrate by FRET assay
50042674	1	ChEMBL_944101 (CHEMBL2341934)	Activity at MRP1 (unknown origin) expressed in MDCK cells assessed as interference calcein-AM efflux incubated for 30 mins prior to calcein-Am addition measured after 30 mins by fluorometric analysis
50042674	2	ChEMBL_944103 (CHEMBL2341936)	Activity at BCRP (unknown origin) expressed in MDCK cells assessed as interference with rhodamine-123 efflux
50042674	3	ChEMBL_944100 (CHEMBL2341933)	Activity at MDR1 (unknown origin) expressed in MDCK cells assessed as interference with calcein-AM efflux incubated for 30 mins prior to calcein-Am addition measured after 30 mins by fluorometric analysis
50042675	1	ChEMBL_944149 (CHEMBL2342475)	Inhibition of human neutrophil elastase-induced antiproliferative activity expressed in BEAS2B cells assessed as cytoprotectivity after 24 hrs by MTT assay
50042675	2	ChEMBL_945196 (CHEMBL2339522)	Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 mins prior to substrate addition measured every 30 seconds
50042676	1	ChEMBL_945637 (CHEMBL2344971)	Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis
50042677	1	ChEMBL_946163 (CHEMBL2343565)	Inhibition of human recombinant carbonic anhydrase-12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50042677	2	ChEMBL_946164 (CHEMBL2344043)	Inhibition of human recombinant carbonic anhydrase-9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50042677	3	ChEMBL_946165 (CHEMBL2344044)	Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50042677	4	ChEMBL_946166 (CHEMBL2344045)	Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50042678	1	ChEMBL_946178 (CHEMBL2344057)	Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay
50042678	2	ChEMBL_946180 (CHEMBL2344059)	Inhibition of bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay
50042678	3	ChEMBL_946181 (CHEMBL2344060)	Inhibition of rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide by hemoglobin capture assay
50042679	1	ChEMBL_946626 (CHEMBL2342134)	Inhibition of MMP13 (unknown origin)
50042679	2	ChEMBL_946628 (CHEMBL2342136)	Inhibition of MMP12 (unknown origin)
50042679	3	ChEMBL_946630 (CHEMBL2342138)	Inhibition of MMP9 (unknown origin)
50042679	4	ChEMBL_946629 (CHEMBL2342137)	Inhibition of MMP3 (unknown origin)
50042679	5	ChEMBL_946631 (CHEMBL2342139)	Inhibition of MMP2 (unknown origin)
50042679	6	ChEMBL_946632 (CHEMBL2342140)	Inhibition of human recombinant MMP1 catalytic domain using Dnp-Pro-beta-cyclohexyl-Ala-Gly-Cys(Me)-His-Lys-(Nma)-NH2 as substrate preincubated with enzyme for 30 mins prior to substrate addition measured after 20 mins by fluorometric assay
50042680	1	ChEMBL_947077 (CHEMBL2340582)	Displacement of [3H]-prazosin from alpha1B adrenergic receptor in Wistar rat liver membrane after 45 mins by liquid scintillation counting
50042680	2	ChEMBL_947078 (CHEMBL2340583)	Displacement of [3H]-RX821002 from alpha2A adrenergic receptor in Wistar rat cortical membrane after 45 mins by liquid scintillation counting
50042680	3	ChEMBL_947079 (CHEMBL2340584)	Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting
50042680	4	ChEMBL_947080 (CHEMBL2340585)	Displacement of [3H]-OH-8-DPAT from 5HT1A receptor in Wistar rat hippocampal membrane after 15 mins by liquid scintillation counting
50042680	5	ChEMBL_947081 (CHEMBL2340586)	Displacement of [3H]-ketanserin from 5HT2A receptor in Wistar rat cortical membrane after 15 mins by liquid scintillation counting
50042680	6	ChEMBL_947082 (CHEMBL2340587)	Displacement of [3H]-YM-09151-2 from human D4 dopamine receptor after 120 mins by liquid scintillation counting
50042680	7	ChEMBL_947083 (CHEMBL2340588)	Displacement of [3H]-YM-09151-2 from D2 dopamine receptor in Wistar rat brain striatal membrane after 60 mins by liquid scintillation counting
50042681	1	ChEMBL_947089 (CHEMBL2340594)	Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production
50042681	2	ChEMBL_947090 (CHEMBL2340595)	Inhibition of COX-2 (unknown origin) by chemiluminescence assay
50042681	3	ChEMBL_947093 (CHEMBL2340598)	Inhibition of COX-1 (unknown origin) by chemiluminescence assay
50042682	1	ChEMBL_947108 (CHEMBL2340613)	Inhibition of human 11-beta HSD1 transfected in HEK293 cell microsomes assessed as decrease in [3H]cortisol generation using [3H]cortisone as substrate measured after 60 mins by scintillation proximity assay
50042683	1	ChEMBL_948085 (CHEMBL2345591)	Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
50042683	2	ChEMBL_948087 (CHEMBL2345593)	Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
50042683	3	ChEMBL_948089 (CHEMBL2345595)	Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis
50042684	1	ChEMBL_948571 (CHEMBL2344227)	Displacement of [3H]Ro 41-1049 from rat MAO-A receptor expressed in HEK293 cells
50042684	2	ChEMBL_948572 (CHEMBL2344228)	Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site expressed in HEK293 cells
50042685	1	ChEMBL_948575 (CHEMBL2344231)	Inhibition of human recombinant 5-LO expressed in Escherichia coli after 15 mins by HPLC analysis
50042685	2	ChEMBL_948576 (CHEMBL2344666)	Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-oxiraneacetic acid as substrate after 30 mins by fluorescence-based assay
50042686	1	ChEMBL_948581 (CHEMBL2344671)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 60 mins
50042687	1	ChEMBL_949032 (CHEMBL2343202)	Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis
50042687	2	ChEMBL_949033 (CHEMBL2343203)	Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis
50042688	1	ChEMBL_942306 (CHEMBL2343304)	Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assay
50042688	2	ChEMBL_942303 (CHEMBL2343301)	Agonist activity at rat mGluR1 expressed in HEK293 cells assessed as Ca2+ mobilization by FLIPR assay
50042688	3	ChEMBL_942304 (CHEMBL2343302)	Antagonist activity at rat mGluR1 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assay
50042688	4	ChEMBL_942305 (CHEMBL2343303)	Displacement of [3H]-ABP688 from human mGluR5 expressed in HEK293 cells after 60 mins by scintillation counting
50042689	1	ChEMBL_943216 (CHEMBL2338980)	Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance
50042690	1	ChEMBL_943227 (CHEMBL2338991)	Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA
50042690	2	ChEMBL_943228 (CHEMBL2338992)	Inhibition of latency-associated peptide binding to Integrin alphaVbeta6 receptor (unknown origin) by competitive ELISA
50042690	3	ChEMBL_943229 (CHEMBL2338993)	Inhibition of vitronectin binding to Integrin alphaVbeta5 receptor (unknown origin) by competitive ELISA
50042690	4	ChEMBL_943230 (CHEMBL2338994)	Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISA
50042690	5	ChEMBL_943231 (CHEMBL2338995)	Inhibition of fibronectin binding to human Integrin alpha5beta1 receptor by competitive ELISA
50042691	1	ChEMBL_943660 (CHEMBL2344391)	Inhibition of IGF1R (unknown origin)
50042691	2	ChEMBL_943659 (CHEMBL2344390)	Inhibition of ERN1 (unknown origin)
50042691	4	ChEMBL_943661 (CHEMBL2344392)	Inhibition of DLK (unknown origin)
50042691	5	ChEMBL_943663 (CHEMBL2344394)	Inhibition of CTK (unknown origin)
50042691	6	ChEMBL_943665 (CHEMBL2344396)	Inhibition of CAMK4 (unknown origin)
50002418	5	ChEMBL_1762971 (CHEMBL4198218)	Inhibition of PDE5 (unknown origin)
50042691	8	ChEMBL_943666 (CHEMBL2344397)	Inhibition of CDK2 (unknown origin)
50042691	9	ChEMBL_943667 (CHEMBL2344398)	Inhibition of PLK1 (unknown origin)
50042691	11	ChEMBL_943669 (CHEMBL2344400)	Inhibition of aurora-A (unknown origin)
50042691	12	ChEMBL_943670 (CHEMBL2344401)	Inhibition of SYK (unknown origin)
50042691	13	ChEMBL_943672 (CHEMBL2344403)	Inhibition of Pim-1 (unknown origin)
50042691	14	ChEMBL_943671 (CHEMBL2344402)	Inhibition of ERBB4 (unknown origin)
50042691	15	ChEMBL_943673 (CHEMBL2344404)	Inhibition of ERBB2 (unknown origin)
50042691	16	ChEMBL_943674 (CHEMBL2344405)	Inhibition of EGFR (unknown origin)
50042691	17	ChEMBL_943676 (CHEMBL2344407)	Inhibition of FGFR2 (unknown origin)
50042691	18	ChEMBL_943675 (CHEMBL2344406)	Inhibition of c-Kit (unknown origin)
50042691	19	ChEMBL_943677 (CHEMBL2344408)	Inhibition of PDGFRbeta (unknown origin)
50042691	20	ChEMBL_943678 (CHEMBL2344409)	Inhibition of PDGFRalpha (unknown origin)
50042691	21	ChEMBL_943679 (CHEMBL2344410)	Inhibition of c-RAF (unknown origin)
50042691	22	ChEMBL_943685 (CHEMBL2344829)	Inhibition of VEGFR2 (unknown origin)
50042691	24	ChEMBL_943682 (CHEMBL2344826)	Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by fluorescence microscopic analysis
50042691	25	ChEMBL_943652 (CHEMBL2344383)	Inhibition of LCK (unknown origin)
50042691	26	ChEMBL_943654 (CHEMBL2344385)	Inhibition of PAK4 (unknown origin)
50042691	27	ChEMBL_943655 (CHEMBL2344386)	Inhibition of PAK2 (unknown origin)
50042691	28	ChEMBL_943657 (CHEMBL2344388)	Inhibition of PAK1 (unknown origin)
50042691	29	ChEMBL_943656 (CHEMBL2344387)	Inhibition of MEK1 (unknown origin)
50042691	30	ChEMBL_943658 (CHEMBL2344389)	Inhibition of MLK1 (unknown origin)
50042691	31	ChEMBL_943244 (CHEMBL2339008)	Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of Erk1/2 phosphorylation after 20 hrs by Western blotting analysis
50002419	1	ChEMBL_1763031 (CHEMBL4198278)	Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method
50042692	1	ChEMBL_943689 (CHEMBL2344833)	Inhibition of PPT1 (unknown origin) in cell lysates using fluorescent-based MUGSP as substrate after 1 to 3 hrs
50042692	2	ChEMBL_943688 (CHEMBL2344832)	Inhibition of PPT1 in human fibroblast/lymphoblast cell lysate using fluorescent-based MUGSP as substrate after 1 to 3 hrs
50042692	3	ChEMBL_943698 (CHEMBL2344842)	Inhibition of human beta galactosidase
50042693	1	ChEMBL_944704 (CHEMBL2340950)	Inhibition of human placental CYP19 using [1beta-3H]androstenedione as substrate by 3H2O-method
50042693	2	ChEMBL_944705 (CHEMBL2340951)	Inhibition of human CYP17 expressed in Escherichia coli co-expressing rat NADPH-P450-reductase using progesterone as substrate
50042693	3	ChEMBL_944708 (CHEMBL2340954)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50042693	4	ChEMBL_944709 (CHEMBL2340955)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50042694	1	ChEMBL_944721 (CHEMBL2340967)	Inhibition of HDAC4 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	2	ChEMBL_944722 (CHEMBL2340968)	Inhibition of HDAC2 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	3	ChEMBL_944713 (CHEMBL2340959)	Inhibition of HDAC3 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	4	ChEMBL_944714 (CHEMBL2340960)	Inhibition of HDAC1 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	5	ChEMBL_944719 (CHEMBL2340965)	Inhibition of HDAC8 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	6	ChEMBL_944710 (CHEMBL2340956)	Inhibition of HDAC9 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	7	ChEMBL_944711 (CHEMBL2340957)	Inhibition of HDAC7 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	8	ChEMBL_944712 (CHEMBL2340958)	Inhibition of HDAC5 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042694	9	ChEMBL_944720 (CHEMBL2340966)	Inhibition of HDAC6 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfluidic lab-on-a-chip assay
50042695	1	ChEMBL_945218 (CHEMBL2339544)	Inhibition of human P2Y14 receptor
50042695	2	ChEMBL_945219 (CHEMBL2339545)	Inhibition of human P2Y11 receptor
50042695	3	ChEMBL_945220 (CHEMBL2339546)	Inhibition of human P2Y6 receptor
50042695	4	ChEMBL_945221 (CHEMBL2339547)	Inhibition of human P2Y2 receptor
50042695	5	ChEMBL_945223 (CHEMBL2339549)	Displacement of [beta-33P]-2MeS-ADP from human P2Y12 receptor transfected in HEK293 cells assessed as [beta-33P] bound to cells after 1 hr by scintillation counting analysis
50042695	6	ChEMBL_945224 (CHEMBL2339550)	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by scintillation counting analysis
50042696	1	ChEMBL_945256 (CHEMBL2339988)	Inhibition of ACAT2 (unknown origin) expressed in CHO cells
50042696	2	ChEMBL_945258 (CHEMBL2339990)	Inhibition of ACAT1 (unknown origin) expressed in CHO cells
50042697	1	ChEMBL_945746 (CHEMBL2346383)	Inhibition of NIK in human HT-29 cells assessed as LTalpha/beta2-induced p100 processing to NFkappaB2 preincubated for 30 mins before LTalpha/beta2 stimulation measured after 5 hrs
50042697	2	ChEMBL_945747 (CHEMBL2346384)	Inhibition of NIK (unknown origin) autophosphorylation after 1 hr by chemiluminescent assay
50042698	1	ChEMBL_946221 (CHEMBL2344545)	Negative allosteric modulation of human recombinant mGlu1 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in intracellular calcium concentration by FLIPR assay
50042698	2	ChEMBL_946222 (CHEMBL2344546)	Negative allosteric modulation of human recombinant mGlu5 receptor expressed in Syrian hamster AV12 cells assessed as receptor-mediated changes in intracellular calcium concentration by FLIPR assay
50042698	3	ChEMBL_946217 (CHEMBL2344541)	Binding affinity to 5HT2B receptor (unknown origin)
50042698	4	ChEMBL_946219 (CHEMBL2344543)	Negative allosteric modulation of rat mGlu5 receptor
50042699	1	ChEMBL_946238 (CHEMBL2344976)	Activity at MRP1 (unknown origin) expressed in MDCK cells using calcein AM as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric analysis
50042699	2	ChEMBL_946239 (CHEMBL2344977)	Activity at BCRP (unknown origin) expressed in MDCK cells using rhodamine 123 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric analysis
50042699	3	ChEMBL_946240 (CHEMBL2344978)	Activity at MDR1 (unknown origin) expressed in MDCK cells using calcein AM as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric analysis
50042700	1	ChEMBL_946706 (CHEMBL2343566)	Inhibition of PDGF-BB-induced PDGFR beta phosphorylation in human SF539 cells overexpressing PDGFR beta pretreated for 60 mins prior to PDGF-BB addition measured after 10 mins by phosphotyrosine ELISA cytoblot analysis
50042700	2	ChEMBL_946708 (CHEMBL2343568)	Inhibition of VEGF-induced VEGFR1 phosphorylation in human A498 cells overexpressing Flt-1 pretreated for 60 mins prior to VEGF addition measured after 10 mins by phosphotyrosine ELISA cytoblot analysis
50042700	3	ChEMBL_946707 (CHEMBL2343567)	Inhibition of VEGF-induced VEGFR2 phosphorylation in human U251 cells overexpressing Flk-1 pretreated for 60 mins prior to VEGF addition measured after 10 mins by phosphotyrosine ELISA cytoblot analysis
50042700	4	ChEMBL_946709 (CHEMBL2343569)	Inhibition of EGF-induced EGFR phosphorylation in human A431 cells overexpressing EGFR pretreated for 60 mins prior to EGF addition measured after 10 mins by phosphotyrosine ELISA cytoblot analysis
50042701	1	ChEMBL_947124 (CHEMBL2341094)	Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
50042702	1	ChEMBL_947624 (CHEMBL2340160)	Inhibition of human recombinant PDE4B2 assessed as decrease in cAMP hydrolysis preincubated with substrate prior to enzyme addition measured after 30 mins by colorimetric assay method
50042703	1	ChEMBL_947629 (CHEMBL2340616)	Inhibition of human DHFR
50042703	2	ChEMBL_947633 (CHEMBL2340620)	Inhibition of Candida albicans DHFR
50042704	1	ChEMBL_948146 (CHEMBL2338832)	Inhibition of recombinant FLAG-tagged mTOR (1362 to 2549) (unknown origin) expressed in HEK293 cells
50042704	2	ChEMBL_948139 (CHEMBL2338825)	Inhibition of human ERG
50042704	3	ChEMBL_948143 (CHEMBL2338829)	Inhibition of PI3Kgamma (unknown origin) using lipid PIP2 as substrate
50042704	4	ChEMBL_948144 (CHEMBL2338830)	Inhibition of PI3Kbeta (unknown origin) using lipid PIP2 as substrate
50042704	5	ChEMBL_948145 (CHEMBL2338831)	Inhibition of PI3Kalpha (unknown origin) using lipid PIP2 as substrate
50042704	6	ChEMBL_948142 (CHEMBL2338828)	Inhibition of PI3Kdelta (unknown origin) using lipid PIP2 as substrate
50042705	1	ChEMBL_948150 (CHEMBL2338836)	Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins
50042705	2	ChEMBL_948151 (CHEMBL2338837)	Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins
50042705	3	ChEMBL_948152 (CHEMBL2338838)	Inhibition of human recombinant MMP1 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins
50042705	4	ChEMBL_948147 (CHEMBL2338833)	Inhibition of MMP9 in human Hep3B cells using gelatin as substrate
50042706	1	ChEMBL_948616 (CHEMBL2344706)	Inhibition of STAT3 in IL-6-stimulated human HepG2 cells treated for 1 hr prior to IL-6 challenge measured after 5.5 hrs by luciferase reporter gene assay
50042707	1	ChEMBL_948622 (CHEMBL2345138)	Inhibition of electric eel AChE using acetylcholine iodide as substrate after 10 mins by Ellman method
50042707	2	ChEMBL_948621 (CHEMBL2345137)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 10 mins by Ellman method
50042708	1	ChEMBL_948633 (CHEMBL2345149)	Inhibition of biotinylated fibrinogen binding to human alphavbeta3 integrin receptor after 2 hrs by solid-phase competitive displacement assay
50042708	2	ChEMBL_948632 (CHEMBL2345148)	Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay
50042708	3	ChEMBL_948637 (CHEMBL2345153)	Inhibition of factor 10a (unknown origin) using S-2222 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
50042708	4	ChEMBL_948638 (CHEMBL2345154)	Inhibition of thrombin (unknown origin) using S-2238 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
50002419	2	ChEMBL_1763006 (CHEMBL4198253)	Inhibition of HDAC1/2 in human K562 nuclear extract using (QSY-7)-RGGRGLGK(Ac)-GGARRHRK(TAMRA)NH2 as substrate incubated for 30 mins by fluorescence assay
50042709	2	ChEMBL_948651 (CHEMBL2345601)	Inhibition of human recombinant MMP14 catalytic domain using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
50042709	3	ChEMBL_948652 (CHEMBL2345602)	Inhibition of human recombinant MMP13 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
50042709	4	ChEMBL_948653 (CHEMBL2345603)	Inhibition of human recombinant MMP2 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
50042709	5	ChEMBL_948654 (CHEMBL2345604)	Inhibition of human recombinant MMP1 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
50002419	3	ChEMBL_1763030 (CHEMBL4198277)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method
50002419	4	ChEMBL_1763019 (CHEMBL4198266)	Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition and measured after 30 mins by trypsin coupled fluorescence assay
50002419	5	ChEMBL_1763029 (CHEMBL4198276)	Inhibition of PIM1 (unknown origin)
50002419	6	ChEMBL_1763013 (CHEMBL4198260)	Inhibition of HDAC1 (unknown origin)
50002419	7	ChEMBL_1763012 (CHEMBL4198259)	Inhibition of HDAC4 (unknown origin)
50002419	8	ChEMBL_1763009 (CHEMBL4198256)	Inhibition of human H1299 cells derived HDAC using biotin-labeled SGRGKGGKGLGKGGAKRHRKVLRD peracetylated with [3H]acetate at lysine residue as substrate after 1.5 hrs by liquid scintillation counting method
50002419	9	ChEMBL_1763011 (CHEMBL4198258)	Inhibition of HDAC in human HeLa nuclear extract preincubated for 10 mins followed by Boc-Lys(acetyl)-AMC substrate addition measured after 30 mins by fluorescence assay
50002420	1	ChEMBL_1763085 (CHEMBL4198332)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured for 20 mins at 1 min interval by Ellman's method
50042710	1	ChEMBL_949061 (CHEMBL2343231)	Inhibition of recombinant His-tagged PDE4B (unknown origin) expressed in Sf9 cells using cAMP as substrate incubated for 15 mins prior to substrate addition measured after 1 hr by luminescence-based assay
50042711	1	ChEMBL_949064 (CHEMBL2343717)	Competitive inhibition of Streptomyces hygroscopicus subsp. ascomyceticus chorismatase FkbO expressed in Escherichia coli BL21(DE3) using chorismate as substrate
50042711	2	ChEMBL_949067 (CHEMBL2343720)	Inhibition of Streptomyces hygroscopicus subsp. ascomyceticus chorismatase FkbO expressed in Escherichia coli BL21(DE3) using chorismate as substrate after 5 mins by LDH-coupled spectrophotometric assay
50042712	1	ChEMBL_949073 (CHEMBL2343726)	Binding affinity to CB1 receptor (unknown origin)
50042712	2	ChEMBL_949074 (CHEMBL2343727)	Binding affinity to CB2 receptor (unknown origin)
50042712	3	ChEMBL_949080 (CHEMBL2343733)	Agonist activity at mouse CB1 receptor by cAMP read-out assay
50042712	4	ChEMBL_949084 (CHEMBL2343737)	Agonist activity at mouse CB2 receptor by cAMP read-out assay
50042712	5	ChEMBL_949085 (CHEMBL2343738)	Agonist activity at human CB1 receptor by cAMP read-out assay
50042712	6	ChEMBL_949086 (CHEMBL2343739)	Agonist activity at human CB2 receptor by beta-arrestin recruitment assay
50042712	7	ChEMBL_949087 (CHEMBL2343740)	Agonist activity at human CB2 receptor by cAMP read-out assay
50042712	8	ChEMBL_949081 (CHEMBL2343734)	Binding affinity to mouse CB2 receptor
50042712	9	ChEMBL_949082 (CHEMBL2343735)	Binding affinity to human CB2 receptor
50042713	1	ChEMBL_949503 (CHEMBL2341263)	Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate addition by Ellman's colorimetric method
50042713	2	ChEMBL_949501 (CHEMBL2341261)	Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis
50042714	1	ChEMBL_942365 (CHEMBL2344277)	Inhibition of human SERT expressed in HEK293-MSR cells by 5-HT uptake assay
50042715	1	ChEMBL_942407 (CHEMBL2344761)	Inhibition of TCPTP (unknown origin) assessed as decrease in p-nitrophenol production from pNPP substrate after 30 mins by HTS7000 bioassay reader analysis
50042715	2	ChEMBL_942408 (CHEMBL2344762)	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenol production from pNPP substrate after 30 mins by HTS7000 bioassay reader analysis
50042716	1	ChEMBL_942867 (CHEMBL2342375)	Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay
50042717	1	ChEMBL_944289 (CHEMBL2343939)	Inhibition of AXL (unknown origin)
50042717	2	ChEMBL_944290 (CHEMBL2343940)	Inhibition of Aurora kinase A (unknown origin)
50042717	3	ChEMBL_944291 (CHEMBL2343941)	Inhibition of AKT3 (unknown origin)
50042717	4	ChEMBL_944292 (CHEMBL2343942)	Inhibition of AKT2 (unknown origin)
50042717	5	ChEMBL_944293 (CHEMBL2343943)	Inhibition of ASK1 (unknown origin)
50042717	6	ChEMBL_944294 (CHEMBL2343944)	Inhibition of AMPK (unknown origin)
50042717	7	ChEMBL_944295 (CHEMBL2343945)	Inhibition of ARG (unknown origin)
50042717	8	ChEMBL_944296 (CHEMBL2343946)	Inhibition of ACK1 (unknown origin)
50042717	9	ChEMBL_944297 (CHEMBL2343947)	Inhibition of ABL (unknown origin)
50042717	10	ChEMBL_944298 (CHEMBL2343948)	Inhibition of RSK2 (unknown origin)
50042717	11	ChEMBL_944299 (CHEMBL2343949)	Inhibition of IPFK2 (unknown origin)
50042717	12	ChEMBL_944301 (CHEMBL2343951)	Inhibition of FGFR4 (unknown origin)
50042717	13	ChEMBL_944300 (CHEMBL2343950)	Inhibition of FGFR3 (unknown origin)
50042717	14	ChEMBL_944303 (CHEMBL2343953)	Inhibition of FGFR2 (unknown origin)
50042717	15	ChEMBL_944302 (CHEMBL2343952)	Inhibition of FGFR1 (unknown origin)
50042717	16	ChEMBL_944836 (CHEMBL2342508)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 2 hrs by luminescence assay
50042717	17	ChEMBL_944773 (CHEMBL2341974)	Inhibition of PI3Kdelta (unknown origin)
50042717	18	ChEMBL_944775 (CHEMBL2341976)	Inhibition of PI3Kgamma (unknown origin)
50042717	19	ChEMBL_944776 (CHEMBL2341977)	Inhibition of PI3Kbeta (unknown origin)
50042717	20	ChEMBL_944304 (CHEMBL2343954)	Inhibition of SRC (unknown origin)
50042717	21	ChEMBL_944306 (CHEMBL2343956)	Inhibition of PIM1 (unknown origin)
50042717	22	ChEMBL_944308 (CHEMBL2343958)	Inhibition of PDK1 (unknown origin)
50042717	23	ChEMBL_944307 (CHEMBL2343957)	Inhibition of PDGFRbeta (unknown origin)
50042717	24	ChEMBL_944309 (CHEMBL2343959)	Inhibition of p70S6K (unknown origin)
50042717	25	ChEMBL_944310 (CHEMBL2343960)	Inhibition of MET (unknown origin)
50042717	26	ChEMBL_944312 (CHEMBL2344412)	Inhibition of MEK1 (unknown origin)
50042717	27	ChEMBL_944311 (CHEMBL2344411)	Inhibition of KIT (unknown origin)
50042717	28	ChEMBL_944758 (CHEMBL2341959)	Inhibition of KDR (unknown origin)
50042717	29	ChEMBL_944759 (CHEMBL2341960)	Inhibition of JAK2 (unknown origin)
50042717	30	ChEMBL_944760 (CHEMBL2341961)	Inhibition of HSP90 (unknown origin)
50042717	31	ChEMBL_944762 (CHEMBL2341963)	Inhibition of FLT3 (unknown origin)
50042717	32	ChEMBL_944763 (CHEMBL2341964)	Inhibition of FLT1 (unknown origin)
50042717	33	ChEMBL_944764 (CHEMBL2341965)	Inhibition of FAK (unknown origin)
50042717	34	ChEMBL_944765 (CHEMBL2341966)	Inhibition of ERBB2 (unknown origin)
50042717	35	ChEMBL_944766 (CHEMBL2341967)	Inhibition of EGFR (unknown origin)
50042717	36	ChEMBL_944768 (CHEMBL2341969)	Inhibition of cRAF (unknown origin)
50042717	38	ChEMBL_943743 (CHEMBL2345756)	Inhibition of ZIPK (unknown origin)
50042717	39	ChEMBL_943744 (CHEMBL2345757)	Inhibition of ZAP70 (unknown origin)
50042717	40	ChEMBL_943745 (CHEMBL2345758)	Inhibition of YES (unknown origin)
50042717	41	ChEMBL_943747 (CHEMBL2345760)	Inhibition of VRK2 (unknown origin)
50042717	42	ChEMBL_943746 (CHEMBL2345759)	Inhibition of WNK2 (unknown origin)
50042717	43	ChEMBL_943748 (CHEMBL2345761)	Inhibition of ULK2 (unknown origin)
50042717	44	ChEMBL_943749 (CHEMBL2345762)	Inhibition of TSSK1 (unknown origin)
50042717	45	ChEMBL_943751 (CHEMBL2345764)	Inhibition of TBK1 (unknown origin)
50042717	46	ChEMBL_943750 (CHEMBL2345763)	Inhibition of TAO1 (unknown origin)
50042717	47	ChEMBL_943752 (CHEMBL2345765)	Inhibition of TAK1 (unknown origin)
50042717	48	ChEMBL_943753 (CHEMBL2345766)	Inhibition of STK33 (unknown origin)
50042717	49	ChEMBL_943755 (CHEMBL2345768)	Inhibition of SGK3 (unknown origin)
50042717	50	ChEMBL_943754 (CHEMBL2345767)	Inhibition of SGK2 (unknown origin)
50042717	51	ChEMBL_943756 (CHEMBL2345769)	Inhibition of SGK (unknown origin)
50042717	52	ChEMBL_943757 (CHEMBL2345770)	Inhibition of RSK4 (unknown origin)
50042717	53	ChEMBL_943759 (CHEMBL2345772)	Inhibition of RSK3 (unknown origin)
50042717	54	ChEMBL_943758 (CHEMBL2345771)	Inhibition of RSK1 (unknown origin)
50042717	55	ChEMBL_943760 (CHEMBL2345773)	Inhibition of RSE (unknown origin)
50042717	56	ChEMBL_943761 (CHEMBL2345774)	Inhibition of ROS (unknown origin)
50042717	57	ChEMBL_943762 (CHEMBL2345775)	Inhibition of ROCK2 (unknown origin)
50042717	58	ChEMBL_943764 (CHEMBL2345777)	Inhibition of ROCK1 (unknown origin)
50042717	59	ChEMBL_943763 (CHEMBL2345776)	Inhibition of RIPK2 (unknown origin)
50042717	60	ChEMBL_943765 (CHEMBL2345778)	Inhibition of RET (unknown origin)
50042717	61	ChEMBL_943766 (CHEMBL2345779)	Inhibition of PYK2 (unknown origin)
50042717	62	ChEMBL_943768 (CHEMBL2345781)	Inhibition of PRK2 (unknown origin)
50042717	63	ChEMBL_943767 (CHEMBL2345780)	Inhibition of PRAK (unknown origin)
50042717	64	ChEMBL_944215 (CHEMBL2343422)	Inhibition of PLK3 (unknown origin)
50042717	65	ChEMBL_944216 (CHEMBL2343423)	Inhibition of PLK1 (unknown origin)
50042717	68	ChEMBL_944218 (CHEMBL2343425)	Inhibition of PKCzeta (unknown origin)
50042717	69	ChEMBL_944220 (CHEMBL2343427)	Inhibition of PKCtheta (unknown origin)
50042717	70	ChEMBL_944221 (CHEMBL2343428)	Inhibition of PKCmu (unknown origin)
50042717	71	ChEMBL_944223 (CHEMBL2343430)	Inhibition of PKCiota (unknown origin)
50042717	73	ChEMBL_944224 (CHEMBL2343431)	Inhibition of PKCepsilon (unknown origin)
50042717	74	ChEMBL_944225 (CHEMBL2343432)	Inhibition of PKCdelta (unknown origin)
50042717	75	ChEMBL_944227 (CHEMBL2343434)	Inhibition of PKCgamma (unknown origin)
50002420	2	ChEMBL_1763086 (CHEMBL4198333)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured for 20 mins at 1 min interval by Ellman's method
50042717	79	ChEMBL_944230 (CHEMBL2343437)	Inhibition of PASK (unknown origin)
50042717	80	ChEMBL_944232 (CHEMBL2343439)	Inhibition of PAK6 (unknown origin)
50042717	81	ChEMBL_944233 (CHEMBL2343440)	Inhibition of PAK3 (unknown origin)
50042717	82	ChEMBL_944234 (CHEMBL2343441)	Inhibition of NLK (unknown origin)
50042717	83	ChEMBL_944236 (CHEMBL2343443)	Inhibition of NEK7 (unknown origin)
50042717	84	ChEMBL_944235 (CHEMBL2343442)	Inhibition of NEK2 (unknown origin)
50042717	85	ChEMBL_944237 (CHEMBL2343444)	Inhibition of MUSK (unknown origin)
50042717	86	ChEMBL_944238 (CHEMBL2343445)	Inhibition of MST1 (unknown origin)
50042717	87	ChEMBL_944240 (CHEMBL2343447)	Inhibition of MSSK1 (unknown origin)
50042717	88	ChEMBL_944239 (CHEMBL2343446)	Inhibition of MSK1 (unknown origin)
50042717	89	ChEMBL_944241 (CHEMBL2343891)	Inhibition of MNK2 (unknown origin)
50042717	90	ChEMBL_944242 (CHEMBL2343892)	Inhibition of MLK1 (unknown origin)
50042717	91	ChEMBL_944244 (CHEMBL2343894)	Inhibition of MKK7beta (unknown origin)
50042717	92	ChEMBL_944243 (CHEMBL2343893)	Inhibition of MKK6 (unknown origin)
50042717	93	ChEMBL_944245 (CHEMBL2343895)	Inhibition of MKK4 (unknown origin)
50042717	94	ChEMBL_944246 (CHEMBL2343896)	Inhibition of MINK (unknown origin)
50042717	95	ChEMBL_944248 (CHEMBL2343898)	Inhibition of MER (unknown origin)
50042717	96	ChEMBL_944247 (CHEMBL2343897)	Inhibition of MARK1 (unknown origin)
50042717	97	ChEMBL_944249 (CHEMBL2343899)	Inhibition of MAPKAPK3 (unknown origin)
50042717	98	ChEMBL_944250 (CHEMBL2343900)	Inhibition of MAPK2 (unknown origin)
50042717	99	ChEMBL_944252 (CHEMBL2343902)	Inhibition of MAPK1 (unknown origin)
50042717	100	ChEMBL_944251 (CHEMBL2343901)	Inhibition of LYN (unknown origin)
50042717	101	ChEMBL_944253 (CHEMBL2343903)	Inhibition of LOK (unknown origin)
50042717	102	ChEMBL_944254 (CHEMBL2343904)	Inhibition of LKB1 (unknown origin)
50042717	103	ChEMBL_944255 (CHEMBL2343905)	Inhibition of LIMK1 (unknown origin)
50042717	104	ChEMBL_944256 (CHEMBL2343906)	Inhibition of JNK3 (unknown origin)
50042717	106	ChEMBL_944258 (CHEMBL2343908)	Inhibition of JNK1alpha1 (unknown origin)
50042717	107	ChEMBL_944259 (CHEMBL2343909)	Inhibition of ITK (unknown origin)
50042717	108	ChEMBL_944261 (CHEMBL2343911)	Inhibition of IRAK1 (unknown origin)
50042717	109	ChEMBL_944260 (CHEMBL2343910)	Inhibition of IKKbeta (unknown origin)
50042717	110	ChEMBL_944262 (CHEMBL2343912)	Inhibition of IKKalpha (unknown origin)
50042717	111	ChEMBL_944263 (CHEMBL2343913)	Inhibition of IGF1R (unknown origin)
50042717	112	ChEMBL_944265 (CHEMBL2343915)	Inhibition of HIPK2 (unknown origin)
50042717	113	ChEMBL_944264 (CHEMBL2343914)	Inhibition of HCK (unknown origin)
50042717	114	ChEMBL_944266 (CHEMBL2343916)	Inhibition of Haspin (unknown origin)
50042717	115	ChEMBL_944268 (CHEMBL2343918)	Inhibition of GSK3beta (unknown origin)
50042717	116	ChEMBL_944267 (CHEMBL2343917)	Inhibition of GSK3alpha (unknown origin)
50042717	117	ChEMBL_944269 (CHEMBL2343919)	Inhibition of GRK5 (unknown origin)
50042717	118	ChEMBL_944271 (CHEMBL2343921)	Inhibition of GCK (unknown origin)
50042717	119	ChEMBL_944270 (CHEMBL2343920)	Inhibition of FES (unknown origin)
50042717	120	ChEMBL_944273 (CHEMBL2343923)	Inhibition of EPHB1 (unknown origin)
50042717	121	ChEMBL_944272 (CHEMBL2343922)	Inhibition of EPHA2 (unknown origin)
50042717	122	ChEMBL_944274 (CHEMBL2343924)	Inhibition of DYRK2 (unknown origin)
50042717	123	ChEMBL_944275 (CHEMBL2343925)	Inhibition of DDR2 (unknown origin)
50042717	124	ChEMBL_944276 (CHEMBL2343926)	Inhibition of DAPK2 (unknown origin)
50042717	125	ChEMBL_944277 (CHEMBL2343927)	Inhibition of CSK (unknown origin)
50042717	126	ChEMBL_944278 (CHEMBL2343928)	Inhibition of CLK2 (unknown origin)
50042717	127	ChEMBL_944281 (CHEMBL2343931)	Inhibition of CK1delta (unknown origin)
50042717	128	ChEMBL_944280 (CHEMBL2343930)	Inhibition of CHK2 (unknown origin)
50042717	130	ChEMBL_944284 (CHEMBL2343934)	Inhibition of CAMK4 (unknown origin)
50042717	131	ChEMBL_944285 (CHEMBL2343935)	Inhibition of CAMK1 (unknown origin)
50042717	133	ChEMBL_944287 (CHEMBL2343937)	Inhibition of BRK (unknown origin)
50042717	134	ChEMBL_944288 (CHEMBL2343938)	Inhibition of BLK (unknown origin)
50042717	135	ChEMBL_944769 (CHEMBL2341970)	Inhibition of CDC7 (unknown origin)
50042717	136	ChEMBL_944770 (CHEMBL2341971)	Inhibition of ALK (unknown origin)
50042717	137	ChEMBL_944771 (CHEMBL2341972)	Inhibition of AKT1 (unknown origin)
50042717	138	ChEMBL_944772 (CHEMBL2341973)	Inhibition of VPS34 (unknown origin)
50042718	1	ChEMBL_945268 (CHEMBL2340000)	Inhibition of [3H]5-HT reuptake at SERT in rat brain synaptosomes
50042719	1	ChEMBL_945271 (CHEMBL2340003)	Inhibition of human recombinant CA2 incubated for 15 mins by stop flow CO2 hydration assay
50042719	2	ChEMBL_945272 (CHEMBL2340004)	Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry
50042719	3	ChEMBL_945273 (CHEMBL2340471)	Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by isothermal titration calorimetry
50042719	4	ChEMBL_945274 (CHEMBL2340472)	Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by isothermal titration calorimetry
50042719	5	ChEMBL_945275 (CHEMBL2340473)	Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by isothermal titration calorimetry
50042719	6	ChEMBL_945276 (CHEMBL2340474)	Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by isothermal titration calorimetry
50042719	7	ChEMBL_945277 (CHEMBL2340475)	Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay
50042719	8	ChEMBL_945278 (CHEMBL2340476)	Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay
50042719	9	ChEMBL_945279 (CHEMBL2340477)	Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay
50042719	10	ChEMBL_945280 (CHEMBL2340478)	Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay
50042719	11	ChEMBL_945281 (CHEMBL2340479)	Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay
50042720	1	ChEMBL_945283 (CHEMBL2340481)	Inhibition of human erythrocytes esterase activity of carbonic anhydrase-1 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk plot analysis
50042720	2	ChEMBL_945282 (CHEMBL2340480)	Inhibition of human erythrocytes esterase activity of carbonic anhydrase-2 using 4-nitrophenylacetate as substrate after 3 mins by Lineweaver-Burk plot analysis
50042721	1	ChEMBL_945319 (CHEMBL2340978)	Inhibition of AChE (unknown origin)
50042722	1	ChEMBL_945779 (CHEMBL2339126)	Binding affinity to human FABP3 by surface plasmon resonance assay
50042722	2	ChEMBL_945781 (CHEMBL2339128)	Inhibition of human FABP4 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay
50042722	3	ChEMBL_945782 (CHEMBL2339129)	Inhibition of human FABP3 by 8-anilino-1-naphthalenesulfonic acid based fluorescence displacement assay
50042723	1	ChEMBL_945796 (CHEMBL2339143)	Inhibition of human ERG
50042723	2	ChEMBL_945798 (CHEMBL2339145)	Inhibition of alpha-1G calcium channel in human HEK293 cells by whole-cell patch-clamp method
50042724	1	ChEMBL_945816 (CHEMBL2339163)	Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by chromatographic analysis
50042724	2	ChEMBL_945805 (CHEMBL2339152)	Inhibition of SCD1 in rat H42E cells
50042724	3	ChEMBL_945806 (CHEMBL2339153)	Inhibition of SCD1 in human HepG2 cells
50042725	1	ChEMBL_945821 (CHEMBL2339564)	Inhibition of rabbit muscle glycogen phosphorylase
50042725	2	ChEMBL_945823 (CHEMBL2339566)	Inhibition of human liver glycogen phosphorylase
50042726	1	ChEMBL_946259 (CHEMBL2344997)	Agonist activity at human LPA1 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay
50042726	2	ChEMBL_946255 (CHEMBL2344993)	Agonist activity at human LPA6 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425
50042726	3	ChEMBL_946256 (CHEMBL2344994)	Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425
50042726	4	ChEMBL_946257 (CHEMBL2344995)	Agonist activity at human LPA4 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425
50042726	5	ChEMBL_946258 (CHEMBL2344996)	Agonist activity at human LPA3 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay
50042726	6	ChEMBL_946260 (CHEMBL2344998)	Agonist activity at human LPA2 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay
50042728	1	ChEMBL_946749 (CHEMBL2344098)	Inhibition of human Cu-Zn SOD by NBT reduction assay
50042729	1	ChEMBL_947683 (CHEMBL2341122)	Inhibition of wild type CRAF (unknown origin) using biotinylated MEK as substrate and MgCl2 incubated for 20 mins prior to MgCl2 addition measured after 1 hr in presence of 5 mM ATP
50042729	2	ChEMBL_947684 (CHEMBL2341123)	Inhibition of human recombinant N-terminus His-tagged BRAF expressed in Sf9 cells coexpressing CDC37 using biotinylated MEK as substrate and MgCl2 incubated for 20 mins prior to MgCl2 addition measured after 1 hr in presence of 5 mM ATP
50042730	1	ChEMBL_947691 (CHEMBL2341130)	Inhibition of baker's yeast alpha-glucosidase
50042730	2	ChEMBL_947690 (CHEMBL2341129)	Mixed type inhibition of baker's yeast alpha-glucosidase by Dixon plot analysis
50042731	1	ChEMBL_948696 (CHEMBL2346099)	Inhibition of recombinant CDK1/cyclin B (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP
50042732	1	ChEMBL_949140 (CHEMBL2344707)	Inhibition of human DNMT1 using AdoMet and poly dI-dC after 2 hrs by radioactive assay
50042733	1	ChEMBL_949161 (CHEMBL2344728)	Binding affinity to CGRP receptor (unknown origin)
50042733	2	ChEMBL_949159 (CHEMBL2344726)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
50042733	3	ChEMBL_949160 (CHEMBL2344727)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-resorufin as substrate
50042733	4	ChEMBL_949146 (CHEMBL2344713)	Inhibition of CYP2D6 (unknown origin)
50042733	5	ChEMBL_949148 (CHEMBL2344715)	Inhibition of CYP2C9 (unknown origin)
50042733	6	ChEMBL_949147 (CHEMBL2344714)	Inhibition of CYP2C19 (unknown origin)
50042733	7	ChEMBL_949149 (CHEMBL2344716)	Inhibition of CYP1A2 (unknown origin)
50042733	8	ChEMBL_949158 (CHEMBL2344725)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CCRP-induced cAMP production
50042734	1	ChEMBL_949176 (CHEMBL2344743)	Inhibition of human placental microsome aromatase after 30 mins by ELISA
50042735	1	ChEMBL_942450 (CHEMBL2345217)	Inhibition of yeast Sir 2 protein
50042736	1	ChEMBL_942896 (CHEMBL2342404)	Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay
50042737	1	ChEMBL_942921 (CHEMBL2342870)	Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
50042737	2	ChEMBL_942909 (CHEMBL2342858)	Inhibition of human ERG
50042738	1	ChEMBL_942934 (CHEMBL2342883)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells using cortisone and NADPH as substrate by HTRF assay
50042738	2	ChEMBL_942935 (CHEMBL2342884)	Inhibition of 11beta-HSD1 in human liver microsomes using cortisone and NADPH as substrate by HTRF assay
50042739	1	ChEMBL_942937 (CHEMBL2342886)	Inhibition of Saccharomyces cerevisiae beta-carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
50042739	2	ChEMBL_942941 (CHEMBL2343319)	Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay
50042739	3	ChEMBL_942942 (CHEMBL2343320)	Inhibition of human cytosolic carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay
50042740	1	ChEMBL_942945 (CHEMBL2343323)	Inhibition of N-terminal His6-tagged recombinant TMPRSS4 (unknown origin) fused with enterokinase cleavage sequence DYKDDDGDYKDDDDK expressed in Escherichia coli BL21 (DE3) using Z-Phe-Arg-7-amido-4-methylcoumarin hydrochloride as substrate by fluorometric analysis
50042741	1	ChEMBL_943322 (CHEMBL2340378)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50042741	2	ChEMBL_943321 (CHEMBL2340377)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50042742	1	ChEMBL_943345 (CHEMBL2340853)	Antagonist activity at human Kv1.5 expressed in mouse L929 cells assessed as inhibition of delayed rectifier repolarization current by patch clamp assay
50042743	1	ChEMBL_943353 (CHEMBL2340861)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay
50042743	2	ChEMBL_943360 (CHEMBL2340868)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch clamp electrophysiology paradigm assay
50042743	3	ChEMBL_943354 (CHEMBL2340862)	Inhibition of 5HT3 receptor (unknown origin)
50042743	4	ChEMBL_943351 (CHEMBL2340859)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50042744	1	ChEMBL_943363 (CHEMBL2340871)	Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat liver homogenate
50042744	2	ChEMBL_943364 (CHEMBL2340872)	Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain
50042745	1	ChEMBL_943371 (CHEMBL2340879)	Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cells after 1.5 hrs
50042745	2	ChEMBL_943365 (CHEMBL2340873)	Antagonist activity at CCR1 receptor in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay
50042746	2	ChEMBL_943781 (CHEMBL2345794)	Inhibition of p38alpha (unknown origin)
50042746	3	ChEMBL_943782 (CHEMBL2345795)	Inhibition of MEK1 (unknown origin)
50002420	3	ChEMBL_1763088 (CHEMBL4198335)	Inhibition of human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH as substrate preincubated for 60 mins followed by substrate addition by fluorescence analysis
50042746	5	ChEMBL_943784 (CHEMBL2345797)	Inhibition of Akt1 (unknown origin)
50042746	6	ChEMBL_943786 (CHEMBL2345799)	Inhibition of HER2 (unknown origin)
50042746	7	ChEMBL_943785 (CHEMBL2345798)	Inhibition of Src (unknown origin)
50042746	8	ChEMBL_943787 (CHEMBL2345800)	Inhibition of Pyk2 (unknown origin)
50042746	12	ChEMBL_943790 (CHEMBL2345803)	Allosteric inhibition of FAK (unknown origin) using poly-(GT)-biotin and 1000 uM of ATP preincubated for 60 mins measured after 1 hr by HTRF assay
50042747	1	ChEMBL_943795 (CHEMBL2346244)	Inhibition of PDE4B1 (unknown origin) expressed in sf9 cells using cAMP as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence assay
50042748	1	ChEMBL_943799 (CHEMBL2346248)	Positive allosteric modulation of human muscarinic M1 receptor
50042749	1	ChEMBL_943818 (CHEMBL2346267)	Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins by TR-FRET assay
50042749	2	ChEMBL_943803 (CHEMBL2346252)	Inhibition of MRCKalpha (unknown origin)
50042749	3	ChEMBL_943804 (CHEMBL2346253)	Inhibition of p38alpha (unknown origin)
50042749	4	ChEMBL_943815 (CHEMBL2346264)	Inhibition of ROCK1 (unknown origin)
50042749	5	ChEMBL_943806 (CHEMBL2346255)	Inhibition of JNK3 (unknown origin)
50042749	6	ChEMBL_943805 (CHEMBL2346254)	Inhibition of JNK2 (unknown origin)
50042749	7	ChEMBL_943807 (CHEMBL2346256)	Inhibition of JNK1 (unknown origin)
50042750	1	ChEMBL_943827 (CHEMBL2346276)	Inhibition of factor-10a (unknown origin) by chromogenic substrate assay
50042750	2	ChEMBL_943828 (CHEMBL2346277)	Inhibition of thrombin (unknown origin) by chromogenic substrate assay
50042751	1	ChEMBL_944322 (CHEMBL2344422)	Inhibition of human DPP4 using gly-pro-para-nitroanilide as substrate
50042752	1	ChEMBL_944323 (CHEMBL2344423)	Binding affinity to JNK3 (unknown origin) by surface plasmon resonance analysis in presence of ATP
50042753	1	ChEMBL_945360 (CHEMBL2341486)	Inhibition of human macrophage ACAT expressed in human HepG2 cells using [14C]oleoyl-CoA as substrate incubated for 20 mins prior to substrate addition measured after 25 mins by liquid scintillation counting analysis
50042754	1	ChEMBL_946315 (CHEMBL2345930)	Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method
50042754	2	ChEMBL_946316 (CHEMBL2345931)	Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method
50042755	1	ChEMBL_946369 (CHEMBL2346423)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50042755	2	ChEMBL_946372 (CHEMBL2346426)	Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells
50042755	3	ChEMBL_946374 (CHEMBL2346428)	Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells
50042755	4	ChEMBL_946375 (CHEMBL2346429)	Displacement of [3H]SCH23390 from dopamine D1 receptor in bovine striatum
50042756	1	ChEMBL_946752 (CHEMBL2344101)	Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50042756	2	ChEMBL_946753 (CHEMBL2344102)	Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50042756	3	ChEMBL_946751 (CHEMBL2344100)	Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay
50042757	1	ChEMBL_946767 (CHEMBL2344571)	Inhibition of delta8,7-sterol isomerase-mediated cholesterol biosynthesis in human HL60 cells assessed as increase in zymostenol accumulation
50042758	1	ChEMBL_946791 (CHEMBL2344595)	Inhibition of PDGFRbeta in human SF539 cells assessed as inhibition of PDGFR-BB-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation measured 10 mins by ELISA
50042758	2	ChEMBL_946792 (CHEMBL2344596)	Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation measured 10 mins by ELISA
50042758	3	ChEMBL_946793 (CHEMBL2344597)	Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced tyrosine phosphorylation incubated for 60 mins prior to VEGF-activation measured 10 mins by ELISA
50042759	1	ChEMBL_946795 (CHEMBL2344599)	Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintillation counting
50042759	2	ChEMBL_946805 (CHEMBL2345024)	Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
50042760	1	ChEMBL_947251 (CHEMBL2343088)	Inhibition of SHIP2 (unknown origin)
50042761	1	ChEMBL_947792 (CHEMBL2342211)	Agonist activity at rat recombinant MOR expressed in rat C6 cells assessed as stimulation of [35S]GTPgammaS binding after 1 hr
50002420	4	ChEMBL_1763098 (CHEMBL4198345)	Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by Dixon plot analysis
50002420	5	ChEMBL_1763099 (CHEMBL4198346)	Competitive inhibition of human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH as substrate preincubated for 60 mins followed by substrate addition by secondary plot analysis
50042761	4	ChEMBL_948260 (CHEMBL2340178)	Displacement of [3H]DAMGO from MOR in Hartley guinea pig membrane
50042761	3	ChEMBL_947794 (CHEMBL2342213)	Agonist activity at kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50042761	6	ChEMBL_948257 (CHEMBL2340175)	Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells
50002421	1	ChEMBL_1763186 (CHEMBL4198433)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50002421	2	ChEMBL_1763188 (CHEMBL4198435)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis
50002421	3	ChEMBL_1763190 (CHEMBL4198437)	Displacement of [125I]-ABMECA from human adenosine A3 receptor expressed in CHO cell membranes after 120 mins by scintillation counting analysis
50002421	4	ChEMBL_1763192 (CHEMBL4198439)	Agonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as induction of cAMP accumulation by AlphaScreen assay
50002422	1	ChEMBL_1763223 (CHEMBL4198470)	Displacement of FITC-JQ1 from His6-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence anisotropy method
50042762	1	ChEMBL_949686 (CHEMBL2343757)	Inhibition of middle T-tagged at N terminus (MEYMPME) full length human recombinant PDK1 using Thr-308tide as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by TR-FRET uHTS assay
50042762	2	ChEMBL_949687 (CHEMBL2343758)	Inhibition of middle T-tagged at N terminus (MEYMPME) full length human recombinant PDK1 using PDKtide as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by TR-FRET uHTS assay
50042762	3	ChEMBL_949689 (CHEMBL2343760)	Competitive binding affinity to GST-PDK1 (unknown origin) preincubated for 1 to 10 mins by surface plasmon resonance in presence of biotin-PIFtide
50042762	4	ChEMBL_949690 (CHEMBL2343761)	Binding affinity to PDK1 (unknown origin) by isothermal titration calorimetric assay
50042762	5	ChEMBL_949692 (CHEMBL2343763)	Inhibition of MTOR (unknown origin)
50042762	6	ChEMBL_942048 (CHEMBL2340278)	Inhibition of PDK1 (unknown origin)
50042762	7	ChEMBL_942049 (CHEMBL2340279)	Inhibition of recombinant full length PDK1 (unknown origin) expressed in insect cells assessed as inhibition of Akt activation measured for 30 mins in presence of [gamma32P-ATP]
50042762	8	ChEMBL_942051 (CHEMBL2340281)	Displacement of [gamma33P]ATP from human TBK1 expressed in insect sf21 cells measured for 30 mins
50042762	9	ChEMBL_942050 (CHEMBL2340280)	Inhibition of human IKKepsilon expressed in insect sf21 cells using MBP as substrate measured for 30 mins
50042762	10	ChEMBL_942052 (CHEMBL2340282)	Inhibition of human Aurora B expressed in insect sf21 cells using LRRLSLGLRRLSLGLRRLSLGLRRLSLG peptide as substrate measured for 30 mins
50042762	11	ChEMBL_942053 (CHEMBL2340283)	Displacement of [gamma33P]ATP from human PDK1 expressed in insect sf21 cells measured for 30 mins
50042762	12	ChEMBL_942055 (CHEMBL2340285)	Inhibition of N terminal His-tagged human recombinant PDK1 using H2NARRRGVTTKTFCGT peptide as substrate assessed as substrate phosphorylation after 4 hrs by phosphorimager analysis in presence of [gamma-32P]ATP
50042762	13	ChEMBL_942054 (CHEMBL2340284)	Inhibition of recombinant PDK1 (unknown origin) using RPRAATF peptide as substrate assessed as substrate phosphorylation by scintillation counting analysis in presence of [gamma-32P]ATP
50042763	1	ChEMBL_942057 (CHEMBL2340287)	Inhibition of rat recombinant His-tagged truncated DHODH expressed in Escherichia coli using dihydroorotate as substrate by chromogen reduction assay
50042763	2	ChEMBL_942058 (CHEMBL2340288)	Inhibition of human DHODH
50042763	3	ChEMBL_942061 (CHEMBL2340291)	Inhibition of rat purified recombinant DHODH
50042763	4	ChEMBL_942062 (CHEMBL2340292)	Inhibition of human purified recombinant DHODH
50042764	1	ChEMBL_942089 (CHEMBL2340787)	Inhibition of aminopeptidase N in human ES2 cells using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50042764	2	ChEMBL_942091 (CHEMBL2340789)	Inhibition of pig microsomal aminopeptidase N using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50042765	1	ChEMBL_942479 (CHEMBL2345676)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry
50042765	2	ChEMBL_942092 (CHEMBL2340790)	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride substrate by Ellman's method based spectrophotometry
50042766	1	ChEMBL_942514 (CHEMBL2346169)	inhibition of sodium iodide symporter in rat FRTL5 cells after 1 hr by arsenic/cerium titration assay
50042767	1	ChEMBL_942524 (CHEMBL2346179)	Inhibition of AKR1C4 (unknown origin)
50042767	2	ChEMBL_942523 (CHEMBL2346178)	Inhibition of COX2 (unknown origin)
50042767	3	ChEMBL_942525 (CHEMBL2346180)	Inhibition of COX1 (unknown origin)
50042767	4	ChEMBL_942527 (CHEMBL2346182)	Inhibition of AKR1C3 (unknown origin)
50042767	5	ChEMBL_942526 (CHEMBL2346181)	Inhibition of AKR1C2 (unknown origin)
50042767	6	ChEMBL_942528 (CHEMBL2346183)	Inhibition of AKR1C1 (unknown origin)
50042767	7	ChEMBL_942520 (CHEMBL2346175)	Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to fluorescent alcohol after 1 hr by competitive fluorescence assay
50042767	8	ChEMBL_942521 (CHEMBL2346176)	Inhibition of His-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to fluorescent alcohol after 1 hr by competitive fluorescence assay
50042767	9	ChEMBL_942522 (CHEMBL2346177)	Inhibition of His-tagged human AKR1C1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to fluorescent alcohol after 1 hr by competitive fluorescence assay
50042767	10	ChEMBL_942518 (CHEMBL2346173)	Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide PR-104A to its hydroxylamine metabolite by LC-MS/MS assay
50042767	11	ChEMBL_942519 (CHEMBL2346174)	Inhibition of His-tagged human AKR1C4 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to fluorescent alcohol after 1 hr by competitive fluorescence assay
50042768	1	ChEMBL_942533 (CHEMBL2346188)	Inhibition of recombinant human MAO-B using p-benzylamine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluorescence assay
50042768	2	ChEMBL_942534 (CHEMBL2346189)	Inhibition of recombinant human MAO-A using p-tyramine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluorescence assay
50042768	3	ChEMBL_942535 (CHEMBL2346190)	Inhibition of horse serum BChE using butyrylthiocholine chloride as substrate after 15 mins by Ellman's method
50042768	4	ChEMBL_942537 (CHEMBL2346192)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method
50042769	1	ChEMBL_942538 (CHEMBL2346193)	Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis
50042770	1	ChEMBL_942539 (CHEMBL2346194)	Inhibition of HD exon 1 fusion protein with 51 glutamine residues (unknown origin) aggregation expressed in Escherichia coli SURE after 16 hrs by Western blotting analysis
50042770	2	ChEMBL_942541 (CHEMBL2346196)	Inhibition of recombinant tau (unknown origin) aggregation
50042770	3	ChEMBL_942543 (CHEMBL2346198)	Inhibition of human eNOS
50042770	4	ChEMBL_942953 (CHEMBL2343331)	Inhibition of human iNOS
50042770	5	ChEMBL_942957 (CHEMBL2343335)	Inhibition of human nNOS
50042770	6	ChEMBL_942960 (CHEMBL2343338)	Inhibition of rat nNOS
50042771	1	ChEMBL_942992 (CHEMBL2343828)	Antagonist activity at androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell growth after 3 days
50042771	2	ChEMBL_942995 (CHEMBL2343831)	Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of transcriptional activity by luciferase and beta-galactosidase reporter gene assay
50042771	3	ChEMBL_942999 (CHEMBL2343835)	Agonist activity at CMX-GAL4 tagged human VDR expressed in HEK293 cells assessed as increase in transcriptional activity by luciferase reporter gene assay
50042771	4	ChEMBL_942998 (CHEMBL2343834)	Agonist activity at VDR (unknown origin) by reporter gene assay
50042772	1	ChEMBL_943015 (CHEMBL2343851)	Inhibition of equine BChE using after 10 mins by Ellman's method
50042772	2	ChEMBL_943016 (CHEMBL2343852)	Inhibition of Electrophorus electricus AChE using acetylthiocholine as substrate after 10 mins by Ellman's method
50042773	1	ChEMBL_943410 (CHEMBL2341374)	Time dependent inhibition of human CYP3A4 preincubated for 30 mins in presence of NADPH
50042773	2	ChEMBL_943417 (CHEMBL2341381)	Inhibition of human recombinant mTOR expressed in insect cells assessed as inhibition of phosphorylation of (GFP)-4-EBP1 protein after 30 mins by fluorescence resonance energy transfer assay
50042774	3	ChEMBL_943433 (CHEMBL2341877)	Agonist activity at mu-type opioid receptor in guinea pig ileum assessed as inhibition of electrically evoked muscle contraction
50042774	4	ChEMBL_943432 (CHEMBL2341876)	Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction
50042774	5	ChEMBL_943438 (CHEMBL2341882)	Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis
50042774	7	ChEMBL_943436 (CHEMBL2341880)	Displacement of [3H]U69,593 from kappa-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis
50042775	1	ChEMBL_943440 (CHEMBL2341884)	Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay
50042775	2	ChEMBL_943441 (CHEMBL2341885)	Inhibition of human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) by enzyme inhibition assay
50042776	1	ChEMBL_944376 (CHEMBL2344880)	Binding affinity to human BRD4 bromodomain 1 using H4Ac4 peptide by amplified luminescent proximity homogeneous assay
50042776	2	ChEMBL_943900 (CHEMBL2339461)	Binding affinity to human N-His-tagged BRD4 bromodomain 1 by surface plasmon resonance analysis
50042776	3	ChEMBL_944373 (CHEMBL2344877)	Binding affinity to CREBBP bromodomain (unknown origin) using H3K56Ac peptide by amplified luminescent proximity homogeneous assay
50042777	1	ChEMBL_944386 (CHEMBL2345300)	Binding affinity to His-tagged human beta1 adrenergic receptor expressed in HEK293 cell membranes by surface plasmon resonance analysis
50042778	1	ChEMBL_945419 (CHEMBL2342530)	Binding affinity to DDR1 ATP binding site (unknown origin) after 1 hr by competitive binding assay
50042778	2	ChEMBL_945423 (CHEMBL2342534)	Inhibition of c-KIT (unknown origin) using Ser/Thr 6 peptide as substrate incubated for 1 hr prior to substrate addition measured after 2 hrs by FRET assay
50042778	3	ChEMBL_945425 (CHEMBL2342536)	Inhibition of DDR2 (unknown origin) using fluorescein-labeled poly GAT as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by TR-FRET assay
50042778	5	ChEMBL_945427 (CHEMBL2342538)	Inhibition of type 1 collagen-induced autophosphorylation of human recombinant DDR2 expressed in HEK293 cells by Western blotting analysis
50042778	6	ChEMBL_945428 (CHEMBL2342539)	Inhibition of type 1 collagen-induced autophosphorylation of human recombinant DDR1 expressed in HEK293 cells by Western blotting analysis
50042779	1	ChEMBL_945907 (CHEMBL2340521)	Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis
50042780	3	ChEMBL_945920 (CHEMBL2340534)	Inhibition of microsomal PGES-1 (unknown origin)
50002423	1	ChEMBL_1763335 (CHEMBL4198582)	Inhibition of TSAO resistant HIV1 3B reverse transcriptase E138K mutant using polyC/oligo(dG12) as template/primer in presence of [3H]dGTP and calf thymus DNA after 30 mins
50002423	2	ChEMBL_1763343 (CHEMBL4198590)	Inhibition of HIV1 reverse transcriptase RNase H
50002423	3	ChEMBL_1763341 (CHEMBL4198588)	Inhibition of HIV1 reverse transcriptase polymerase p51/p66 after 10 to 20 mins in presence of [3H]-TTP by liquid scintillation counting method
50002423	4	ChEMBL_1763340 (CHEMBL4198587)	Inhibition of HIV1 reverse transcriptase RNase H using RNA-DNA hybrid duplex after 30 mins by FRET-based microplate fluorescence assay
50002423	5	ChEMBL_1763334 (CHEMBL4198581)	Inhibition of HIV1 3B reverse transcriptase using polyC/oligo(dG12) as template/primer in presence of [3H]dGTP and calf thymus DNA after 30 mins
50042781	1	ChEMBL_945929 (CHEMBL2341003)	Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis
50042782	1	ChEMBL_945936 (CHEMBL2341010)	Inhibition of COX1 in human whole blood assessed as reduction in TXB2 generation
50042782	2	ChEMBL_945937 (CHEMBL2341011)	Inhibition of COX2 in human whole blood assessed as reduction in LPS-induced PGE2 generation pre-treated prior to LPS-challenge
50042782	3	ChEMBL_946397 (CHEMBL2339174)	Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA
50042782	4	ChEMBL_946398 (CHEMBL2339175)	Inhibition of arachidonic acid-induced COX1 activity in mouse J774 cells assessed as decrease in PGE2 levels incubated for 15 mins prior to arachidonic acid-challenge measured after 30 mins by RIA
50042783	1	ChEMBL_946854 (CHEMBL2345965)	Inhibition of postacid activity of human constitutive 20s proteasome beta-1 subunit using Z-LLE-betaNA as substrate assessed as remaining activity incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	2	ChEMBL_947294 (CHEMBL2343600)	Inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as remaining activity incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	3	ChEMBL_946840 (CHEMBL2345505)	Inhibition of chymotrypsin-like activity of yeast 20S proteasome beta-5 subunit using Suc-LLVY-AMC as substrate measured up to 45 mins by fluorescence assay
50042783	6	ChEMBL_946848 (CHEMBL2345513)	Noncompetitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as inhibition constant for dissociation of enzyme-substrate-inhibitor complex incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	7	ChEMBL_946849 (CHEMBL2345514)	Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as inhibition constant for dissociation of enzyme-substrate-inhibitor complex incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	8	ChEMBL_946850 (CHEMBL2345515)	Competitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as inhibition constant for dissociation of enzyme-inhibitor complex incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	9	ChEMBL_946851 (CHEMBL2345516)	Noncompetitive inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as inhibition constant for dissociation of enzyme-inhibitor complex incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	10	ChEMBL_946852 (CHEMBL2345517)	Mixed type inhibition of chymotrypsin-like activity of human constitutive 20s proteasome beta-5 subunit using Suc-LLVY-AMC as substrate assessed as inhibition constant for dissociation of enzyme-inhibitor complex incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042783	11	ChEMBL_946853 (CHEMBL2345964)	Inhibition of trypsin-like activity of human constitutive 20s proteasome beta-2 subunit using Boc-LRR-AMC as substrate assessed as remaining activity incubated for 15 mins prior to substrate addition measured after 45 mins by fluorescence assay
50042784	1	ChEMBL_947306 (CHEMBL2343612)	Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis
50042784	2	ChEMBL_947308 (CHEMBL2343614)	Inhibition of HDAC6 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis
50042784	3	ChEMBL_947304 (CHEMBL2343610)	Inhibition of HDAC1 (unknown origin) at 10 uM after 60 mins by SAMDI spectrophotometric analysis relative to control
50042785	1	ChEMBL_947322 (CHEMBL2343628)	Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-AMC as substrate after 60 mins by fluorescence assay
50042785	2	ChEMBL_947320 (CHEMBL2343626)	Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit using Ac-RLR-AMC as substrate after 60 mins by fluorescence assay
50042785	3	ChEMBL_947321 (CHEMBL2343627)	Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Ac-nLPnLD-AMC as substrate after 60 mins by fluorescence assay
50042786	1	ChEMBL_947323 (CHEMBL2344107)	Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as inhibition of 3-methylthymidine conversion to thymidine after 1 hr by liquid chromatographic analysis
50042787	1	ChEMBL_947326 (CHEMBL2344110)	Antagonist activity at mu opioid receptor (unknown origin) by [35S]GTPgammaS binding assay
50042788	1	ChEMBL_947327 (CHEMBL2344111)	Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay
50042788	2	ChEMBL_947330 (CHEMBL2344114)	Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay
50042788	3	ChEMBL_947329 (CHEMBL2344113)	Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay
50042788	4	ChEMBL_947331 (CHEMBL2344115)	Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay
50042788	5	ChEMBL_947333 (CHEMBL2344117)	Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay
50042788	6	ChEMBL_947332 (CHEMBL2344116)	Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay
50042788	7	ChEMBL_947334 (CHEMBL2344118)	Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay
50042788	8	ChEMBL_947335 (CHEMBL2344119)	Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay
50042788	9	ChEMBL_947336 (CHEMBL2344120)	Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay
50042788	10	ChEMBL_947338 (CHEMBL2344122)	Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay
50042788	11	ChEMBL_947337 (CHEMBL2344121)	Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay
50042788	12	ChEMBL_947340 (CHEMBL2344124)	Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay
50042789	1	ChEMBL_947830 (CHEMBL2342699)	Binding affinity to human ERG channel by patch clamp assay
50042789	2	ChEMBL_947848 (CHEMBL2343124)	Inhibition of human recombinant CYP3A4
50042789	3	ChEMBL_947847 (CHEMBL2343123)	Inhibition of human recombinant CYP2D6
50042789	4	ChEMBL_947836 (CHEMBL2342705)	Inhibition of human recombinant CYP2C19
50042789	5	ChEMBL_947835 (CHEMBL2342704)	Inhibition of human recombinant CYP2C9
50042789	6	ChEMBL_947837 (CHEMBL2342706)	Inhibition of human recombinant CYP1A2
50042789	7	ChEMBL_947842 (CHEMBL2342711)	Binding affinity to human 5-HT2B receptor
50042789	8	ChEMBL_947846 (CHEMBL2343122)	Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis
50042790	1	ChEMBL_947856 (CHEMBL2343132)	Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis
50042790	3	ChEMBL_947859 (CHEMBL2343135)	Inhibition of human recombinant DAAO after 30 mins by plate reader analysis
50042790	4	ChEMBL_947854 (CHEMBL2343130)	Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis
50042790	5	ChEMBL_947855 (CHEMBL2343131)	Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis
50042791	1	ChEMBL_948318 (CHEMBL2341152)	Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after 30 mins by mass spectrophotometric analysis
50042791	2	ChEMBL_948316 (CHEMBL2340697)	Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after 30 mins by mass spectrophotometric analysis
50042791	3	ChEMBL_948317 (CHEMBL2341151)	Inhibition of His-tagged SIRT2 (1 to 389) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate incubated for 20 mins prior to substrate addition measured after 30 mins by mass spectrophotometric analysis
50042791	4	ChEMBL_947869 (CHEMBL2343145)	Inhibition of CYP2C9 (unknown origin)
50042791	5	ChEMBL_948309 (CHEMBL2340690)	Inhibition of CYP3A4 (unknown origin)
50042791	6	ChEMBL_948310 (CHEMBL2340691)	Inhibition of CYP2D6 (unknown origin)
50042791	7	ChEMBL_948311 (CHEMBL2340692)	Inhibition of CYP2C19 (unknown origin)
50042791	8	ChEMBL_948312 (CHEMBL2340693)	Inhibition of CYP1A2 (unknown origin)
50042791	9	ChEMBL_948313 (CHEMBL2340694)	Inhibition of human ERG by dofetilide binding assay
50042791	10	ChEMBL_948319 (CHEMBL2341153)	Inhibition of His-tagged SIRT3 (unknown origin) using KI179 as substrate after 1 hr by spectrophotometric analysis
50042791	11	ChEMBL_948320 (CHEMBL2341154)	Inhibition of GST-tagged SIRT1 (unknown origin) using KI177 as substrate after 1 hr by spectrophotometric analysis
50042791	12	ChEMBL_948321 (CHEMBL2341155)	Inhibition of human GST-tagged SIRT3 assessed as inhibition of deacetylation of [3H]acetyl-H4 peptide after 3 hrs by liquid scintillation counting analysis
50042791	13	ChEMBL_948322 (CHEMBL2341156)	Inhibition of human GST-tagged SIRT2 assessed as inhibition of deacetylation of [3H]acetyl-H4 peptide after 3 hrs by liquid scintillation counting analysis
50042791	14	ChEMBL_948323 (CHEMBL2341157)	Inhibition of human GST-tagged SIRT1 assessed as inhibition of deacetylation of [3H]acetyl-H4 peptide after 3 hrs by liquid scintillation counting analysis
50042791	15	ChEMBL_948324 (CHEMBL2341158)	Inhibition of human His6-tagged SIRT2 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay
50042791	16	ChEMBL_948325 (CHEMBL2341159)	Inhibition of human GST-tagged SIRT1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of ZMAL conversion to ZML after 4 hrs by fluorescence assay
50042792	1	ChEMBL_948348 (CHEMBL2341182)	Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay
50042792	2	ChEMBL_948342 (CHEMBL2341176)	Inhibition of ROCK1 (unknown origin) after 4 hrs by HTRF assay
50042792	3	ChEMBL_948335 (CHEMBL2341169)	Inhibition of CYP2D6 (unknown origin)-mediated bufuralol hydroxylation to 4'-Hydroxybufuralol
50042792	4	ChEMBL_948336 (CHEMBL2341170)	Inhibition of CYP2C9 (unknown origin)-mediated tolbutamide hydroxylation to hydroxy tolbutamide
50042792	5	ChEMBL_948334 (CHEMBL2341168)	Inhibition of CYP3A4 (unknown origin)-mediated midazolam hydroxylation to 1'-Hydroxymidazolam
50042792	6	ChEMBL_948337 (CHEMBL2341171)	Inhibition of CYP1A2 (unknown origin)-mediated phenaceten demethylation to acetaminophen
50042792	7	ChEMBL_948345 (CHEMBL2341179)	Inhibition of MRCKalpha (unknown origin) using LCD-AKRRRRLSSLRA-NH2 as substrate after 75 mins by luminescence assay in presence of [33P]ATP
50042792	8	ChEMBL_948344 (CHEMBL2341178)	Inhibition of JNK3 alpha1 (unknown origin) using biotinylated Flag-ATF2 as substrate after 15 mins by HTRF assay
50042793	1	ChEMBL_948351 (CHEMBL2341185)	Inhibition of human recombinant ARTD1 by fluorescence assay
50042793	2	ChEMBL_948352 (CHEMBL2341186)	Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay
50042793	3	ChEMBL_948354 (CHEMBL2341188)	Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay
50042794	1	ChEMBL_948355 (CHEMBL2341189)	Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis
50042795	1	ChEMBL_948781 (CHEMBL2339321)	Inhibition of squalene synthase in rat liver microsomes assessed as inhibition of [3H] FPP conversion to squalene after 10 mins by scintillation counting analysis
50042796	1	ChEMBL_948797 (CHEMBL2339759)	Antagonist activity at OXE receptor in human neutrophils assessed as 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins prior to 5-oxo-ETE addition measured after 1 min by spectrofluorimetric analysis
50042797	1	ChEMBL_948804 (CHEMBL2339766)	Agonist activity at estrogen receptor beta (unknown origin) expressed in human HepG2 cells coexpressing estrogen response element after 24 hrs by luciferase reporter gene assay
50042797	2	ChEMBL_948806 (CHEMBL2339768)	Agonist activity at estrogen receptor alpha (unknown origin) expressed in human HepG2 cells coexpressing estrogen response element after 24 hrs by luciferase reporter gene assay
50042797	3	ChEMBL_948807 (CHEMBL2339769)	Binding affinity to human full length estrogen receptor beta by Scatchard plot analysis
50042797	4	ChEMBL_948808 (CHEMBL2339770)	Binding affinity to human full length estrogen receptor alpha by Scatchard plot analysis
50042798	1	ChEMBL_948827 (CHEMBL2340209)	Inhibition of human trypsin using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorescence plate reader analysis
50042798	2	ChEMBL_948828 (CHEMBL2340210)	Inhibition of human plasmin using H-D-Val-Leu-Lys-AMC as substrate assessed as residual activity by fluorescence plate reader analysis
50042798	3	ChEMBL_948829 (CHEMBL2340211)	Inhibition of human thrombin using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorescence plate reader analysis
50042798	4	ChEMBL_948830 (CHEMBL2340212)	Inhibition of human PK using Z-Phe-Arg-AMC as substrate assessed as residual activity by fluorometric analysis
50042798	5	ChEMBL_948831 (CHEMBL2340213)	Inhibition of human coagulation factor 11a using Boc-Phe-Ser-Arg-AMC as substrate assessed as residual activity by fluorometric analysis
50042798	6	ChEMBL_949239 (CHEMBL2345658)	Inhibition of human uPA using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis
50042798	7	ChEMBL_949240 (CHEMBL2345659)	Inhibition of human tPA using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis
50042798	8	ChEMBL_949241 (CHEMBL2345660)	Inhibition of human biotinylated beta factor 12a expressed in Escherichia coli TG1 using Z-Gly-Gly-Arg-AMC as substrate assessed as residual activity by fluorometric analysis
50042798	9	ChEMBL_948812 (CHEMBL2339774)	Inhibition of human recombinant polyhistidine-tagged plasma kallikrein expressed in Escherichia coli XL1 blue using Z-FR-AMC as substrate by fluorimetric analysis
50042799	1	ChEMBL_949252 (CHEMBL2346128)	Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay
50042799	2	ChEMBL_949253 (CHEMBL2346129)	Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay
50042799	3	ChEMBL_949254 (CHEMBL2346130)	Inhibition of human DPP9 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay
50042799	4	ChEMBL_949255 (CHEMBL2346131)	Inhibition of human DPP8 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay
50042799	5	ChEMBL_949256 (CHEMBL2346132)	Inhibition of human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay
50042799	6	ChEMBL_949248 (CHEMBL2345667)	Competitive inhibition of human PREP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis
50042799	7	ChEMBL_949249 (CHEMBL2345668)	Competitive inhibition of human FAP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis
50042800	1	ChEMBL_949261 (CHEMBL2346137)	Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by LC/MS analysis
50042800	2	ChEMBL_949260 (CHEMBL2346136)	Inhibition of acid ceramidase (unknown origin)
50042801	1	ChEMBL_949262 (CHEMBL2346138)	Binding affinity to beta1 adrenergic receptor (unknown origin)
50042802	1	ChEMBL_950755 (CHEMBL2353444)	Inhibition of Myc signaling pathway in human HeLa cells assessed as inhibition of PMA induced luciferase treated 30 mins before induction
50042802	2	ChEMBL_950737 (CHEMBL2353198)	Inhibition of iNOS in LPS-induced mouse RAW264.7 cells assessed as inhibition of nitric acid at measured after 24 hrs
50042803	1	ChEMBL_950787 (CHEMBL2353693)	Binding affinity to TYRO3 (unknown origin) after 1 hr
50042803	2	ChEMBL_950788 (CHEMBL2353694)	Binding affinity to MET (unknown origin) after 1 hr
50042803	3	ChEMBL_950796 (CHEMBL2353702)	Binding affinity to MER (unknown origin) after 1 hr
50042803	4	ChEMBL_950789 (CHEMBL2353695)	Binding affinity to AXL (unknown origin) after 1 hr
50042803	5	ChEMBL_950790 (CHEMBL2353696)	Binding affinity to phosphorylated ABL1 (unknown origin) after 1 hr
50042803	6	ChEMBL_950791 (CHEMBL2353697)	Binding affinity to non phosphorylated ABL1 (unknown origin) after 1 hr
50042803	7	ChEMBL_951052 (CHEMBL2352090)	Inhibition of AXL (unknown origin) phosphorylation expressed in mouse NIH/3T3 cells after 2 hrs by immunoprecipitation assay
50042803	8	ChEMBL_951053 (CHEMBL2352091)	Inhibition of MER (588 to 855) (unknown origin) by fluorescence assay
50042803	9	ChEMBL_951054 (CHEMBL2352092)	Inhibition of TYRO3 (unknown origin)
50042803	10	ChEMBL_951056 (CHEMBL2352094)	Inhibition of MER (unknown origin)
50042803	11	ChEMBL_951055 (CHEMBL2352093)	Inhibition of AXL (unknown origin)
50042803	12	ChEMBL_951057 (CHEMBL2352095)	Binding affinity to TYRO3 (unknown origin)
50042803	13	ChEMBL_951058 (CHEMBL2352096)	Binding affinity to MER (unknown origin)
50042803	14	ChEMBL_951059 (CHEMBL2352097)	Binding affinity to AXL (unknown origin)
50042804	1	ChEMBL_951368 (CHEMBL2349742)	Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate
50042804	2	ChEMBL_951369 (CHEMBL2349743)	Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate
50042804	3	ChEMBL_951370 (CHEMBL2349744)	Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate
50042805	1	ChEMBL_951379 (CHEMBL2349753)	Inhibition of human 6His-tagged unphosphorylated PYK2 (1 to 967) using Poly-(GT)-biotin as substrate by AlphaScreen assay in presence of [gamma-33P]ATP
50042805	2	ChEMBL_951380 (CHEMBL2349754)	Inhibition of human GST-tagged phosphorylated full length PYK2 (1 to 967) using Poly-(GT)-biotin as substrate by HTRF analysis in presence of [gamma-33P]ATP
50042805	3	ChEMBL_951382 (CHEMBL2349756)	Inhibition of YES (unknown origin) using [gamma-33P]ATP
50042805	4	ChEMBL_951384 (CHEMBL2349758)	Inhibition of MLK1 (unknown origin) using [gamma-33P]ATP
50042805	5	ChEMBL_951386 (CHEMBL2349760)	Inhibition of MLCK (unknown origin) using [gamma-33P]ATP
50042805	6	ChEMBL_951385 (CHEMBL2349759)	Inhibition of HGK (unknown origin) using [gamma-33P]ATP
50042805	7	ChEMBL_951387 (CHEMBL2349761)	Inhibition of GCK (unknown origin) using [gamma-33P]ATP
50042805	8	ChEMBL_951389 (CHEMBL2349763)	Inhibition of FYN (unknown origin) using [gamma-33P]ATP
50042805	9	ChEMBL_951388 (CHEMBL2349762)	Inhibition of FGR (unknown origin) using [gamma-33P]ATP
50042805	10	ChEMBL_951391 (CHEMBL2349765)	Inhibition of CHK2 (unknown origin) using [gamma-33P]ATP
50042805	11	ChEMBL_951390 (CHEMBL2349764)	Inhibition of human FAK using [gamma-33P]ATP
50042805	12	ChEMBL_952661 (CHEMBL2350119)	Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 0.5 uM of ATP addition by AlphaScreen assay
50042805	13	ChEMBL_952662 (CHEMBL2350120)	Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 0.5 uM ATP addition by AlphaScreen assay
50042805	14	ChEMBL_952663 (CHEMBL2350121)	Inhibition of human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 1000 uM of ATP addition by HTRF analysis
50042805	15	ChEMBL_952664 (CHEMBL2350122)	Inhibition of human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 1000 uM of ATP addition by HTRF analysis
50042805	16	ChEMBL_952665 (CHEMBL2350123)	Inhibition of human GST-tagged phosphorylated full length FAK incubated for 60 mins prior to 0.5 uM of ATP addition by HTRF analysis
50042805	17	ChEMBL_952666 (CHEMBL2350124)	Inhibition of human GST-tagged phosphorylated full length FAK incubated for 5 mins prior to 0.5 uM of ATP addition by HTRF analysis
50042805	18	ChEMBL_952940 (CHEMBL2352215)	ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prior to 1000 uM of ATP addition by AlphaScreen assay
50042805	19	ChEMBL_952941 (CHEMBL2352216)	ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior to 1000 uM of ATP addition by AlphaScreen assay
50042805	20	ChEMBL_952942 (CHEMBL2352217)	ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 60 mins prior to 0.5 uM of ATP addition by AlphaScreen assay
50042805	21	ChEMBL_952943 (CHEMBL2352218)	ATP-noncompetitive inhibition of human unphosphorylated FAK kinase domain (411 to 686) using Poly-(GT)-biotin as substrate incubated for 5 mins prior to 0.5 uM of ATP addition by AlphaScreen assay
50042805	22	ChEMBL_952659 (CHEMBL2350117)	Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 60 mins prior to 1000 uM of ATP addition by AlphaScreen assay
50042805	23	ChEMBL_952660 (CHEMBL2350118)	Inhibition of human FLAG-tagged unphosphorylated full length FAK expressed in baculovirus expression system incubated for 5 mins prior to 1000 uM of ATP addition by AlphaScreen assay
50042806	1	ChEMBL_952963 (CHEMBL2352238)	Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting analysis
50042806	2	ChEMBL_952962 (CHEMBL2352237)	Competitive inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by Lineweaver-Burk plot analysis
50042807	1	ChEMBL_953503 (CHEMBL2351374)	Inhibition of EGFR tyrosine kinase (unknown origin) using poly (Glu,Tyr) as substrate after 30 mins by ADP-GloTM assay
50002423	6	ChEMBL_1763342 (CHEMBL4198589)	Inhibition of HIV1 reverse transcriptase polymerase
50002425	1	ChEMBL_1763387 (CHEMBL4198634)	Inhibition of human USP2a (258 to 605 residues) expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate incubated for 30 mins measured at 30 secs interval by fluorescence assay
50002425	2	ChEMBL_1763394 (CHEMBL4198641)	Binding affinity to 15N-Gly/Cys/Ser/Trp-labeled human USP2a expressed in Escherichia coli BL21(DE3) assessed as change in chemical shift by NMR method
50002427	1	ChEMBL_1763413 (CHEMBL4198660)	Inhibition of Escherichia coli DNA gyrase-B using relaxed pUC19 DNA as substrate after 1 hr by bromophenol blue dye based agarose gel electrophoresis method
50002428	1	ChEMBL_1763430 (CHEMBL4198677)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002428	2	ChEMBL_1763428 (CHEMBL4198675)	Inhibition of HDAC1/2 in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002428	3	ChEMBL_1763429 (CHEMBL4198676)	Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002428	4	ChEMBL_1763431 (CHEMBL4198678)	Inhibition of HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002428	5	ChEMBL_1763444 (CHEMBL4198691)	Inhibition of HDAC6 (unknown origin)
50002428	6	ChEMBL_1763445 (CHEMBL4198692)	Inhibition of HDAC8 (unknown origin)
50002428	7	ChEMBL_1763443 (CHEMBL4198690)	Inhibition of HDAC1 (unknown origin)
50002429	1	ChEMBL_1763449 (CHEMBL4198696)	Antagonist activity at human M1 mAChR expressed in CHO cells assessed as inhibition of oxotremorine M-stimulated calcium influx preincubated for 10 mins followed by oxotremorine M addition by Fluo-4 NW dye based fluorescence assay
50002429	2	ChEMBL_1763446 (CHEMBL4198693)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2 mins time interval by Ellman's method
50002429	3	ChEMBL_1763447 (CHEMBL4198694)	Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2 mins time interval by Ellman's method
50002429	4	ChEMBL_1763451 (CHEMBL4198698)	Mixed type inhibition of human erythrocyte AChE assessed as enzyme-inhibitor complex using varying levels of acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50042808	4	ChEMBL_954046 (CHEMBL2350814)	Inhibition of cSRC (unknown origin)
50042808	6	ChEMBL_954048 (CHEMBL2350816)	Inhibition of PKBalpha (unknown origin)
50042808	7	ChEMBL_954050 (CHEMBL2350818)	Inhibition of MAPK2 (unknown origin)
50042808	8	ChEMBL_954051 (CHEMBL2350819)	Inhibition of LCK (unknown origin)
50042808	9	ChEMBL_954052 (CHEMBL2350820)	Inhibition of IKKbeta (unknown origin)
50042808	10	ChEMBL_954053 (CHEMBL2350821)	Inhibition of CAMK1 (unknown origin)
50042809	1	ChEMBL_949743 (CHEMBL2350555)	Inhibition of human ERG channel
50042809	2	ChEMBL_949753 (CHEMBL2350851)	Inhibition of SYK in human Ramos cells
50042809	3	ChEMBL_949757 (CHEMBL2350855)	Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) using N-terminally biotinylated EPEGDYEEVLE peptide as substrate assessed as inhibition of [33P]-ATP incorporation incubated for 10 mins prior to substrate addition measured after 15 mins by scintillation counting
50042809	4	ChEMBL_949752 (CHEMBL2350850)	Inhibition of SYK in human whole blood
50042809	5	ChEMBL_949749 (CHEMBL2350847)	Inhibition of CYP3A4 (unknown origin)
50042809	6	ChEMBL_949746 (CHEMBL2350844)	Inhibition of CYP2D6 (unknown origin)
50042809	7	ChEMBL_949747 (CHEMBL2350845)	Inhibition of CYP2C9 (unknown origin)
50042810	1	ChEMBL_952397 (CHEMBL2352763)	Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 30 mins prior to arachidonic acid addition measured after 60 mins by HTRF assay
50042811	1	ChEMBL_952415 (CHEMBL2352781)	Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by fluorescence polarization assay
50042812	1	ChEMBL_952418 (CHEMBL2352784)	Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells
50042812	2	ChEMBL_952416 (CHEMBL2352782)	Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells
50042812	3	ChEMBL_952419 (CHEMBL2352785)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced accumulation of cAMP
50042813	1	ChEMBL_952429 (CHEMBL2352795)	Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay
50042814	1	ChEMBL_952725 (CHEMBL2350427)	Inhibition of c-MET phosphorylation (unknown origin) after 1 hr by Z'-LYTE kinase assay
50042815	1	ChEMBL_952739 (CHEMBL2350718)	Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icilin induction measured after 5 mins by fluorescence assay
50042816	1	ChEMBL_953007 (CHEMBL2352545)	Inhibition of human recombinant caspase 7 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 10 mins by fluorescence microplate analysis
50042816	2	ChEMBL_953009 (CHEMBL2352547)	Inhibition of human recombinant caspase 3 assessed as decrease in AMC release using Ac-Asp-Glu-Val-Asp-AMC as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 10 mins by fluorescence microplate analysis
50042816	3	ChEMBL_953010 (CHEMBL2352548)	Inhibition of human recombinant caspase 1 assessed as decrease in AMC release using Ac-Tyr-Val-Ala-Asp-AMC as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 10 mins by fluorescence microplate analysis
50042816	4	ChEMBL_953008 (CHEMBL2352546)	Inhibition of human recombinant caspase 6 assessed as decrease in AMC release using Ac-Val-Glu-Ile-Asp-AMC as substrate preincubated with enzyme for 10 mins prior to substrate addition measured after 10 mins by fluorescence microplate analysis
50042817	1	ChEMBL_950574 (CHEMBL2352061)	Inhibition of FMS (unknown origin)
50042817	2	ChEMBL_950581 (CHEMBL2352068)	Inhibition of PI3Kalpha (unknown origin) by mobility shift assay
50042817	3	ChEMBL_950582 (CHEMBL2352069)	Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate after 60 mins by TR-FRET analysis
50042818	1	ChEMBL_950587 (CHEMBL2352074)	Inhibition of VDR (unknown origin) interaction to SRC2-3 peptide by fluorescence polarization assay
50042818	2	ChEMBL_950588 (CHEMBL2352075)	Inhibition of TRalpha-LBD (unknown origin) interaction to texas red-labeled SRC2-2 peptide by fluorescence polarization assay
50042818	3	ChEMBL_950589 (CHEMBL2352076)	Inhibition of TRbeta-LBD (unknown origin) interaction to texas red-labeled SRC2-2 peptide by fluorescence polarization assay
50042819	1	ChEMBL_950874 (CHEMBL2349698)	Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay
50042820	1	ChEMBL_950881 (CHEMBL2349705)	Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELISA
50042821	1	ChEMBL_950896 (CHEMBL2349720)	Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay
50042821	2	ChEMBL_950897 (CHEMBL2349721)	Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)
50042822	1	ChEMBL_951230 (CHEMBL2353231)	Inhibition of mouse APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectrophotometric analysis
50042822	2	ChEMBL_951229 (CHEMBL2353230)	Inhibition of human APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectrophotometric analysis
50042822	3	ChEMBL_951228 (CHEMBL2353229)	Inhibition of pig APN using L-leucine-p-nitroanilide as substrate measured every 10 mins for 2 hrs by spectrophotometric analysis
50042823	1	ChEMBL_951237 (CHEMBL2353238)	Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs
50042824	1	ChEMBL_951490 (CHEMBL2350643)	Inhibition of PRMT5 (unknown origin) using [3H]SAM after 1 hr by scintillation proximity assay
50042824	2	ChEMBL_951489 (CHEMBL2350642)	Inhibition of PRMT3 (unknown origin) using [3H]SAM assessed as inhibition of biotinylated-H4 (1 to 24 amino acid residues) methylation after 1 hr by scintillation proximity assay
50042824	3	ChEMBL_951488 (CHEMBL2350641)	Inhibition of DNMT1 (unknown origin) using [3H]-SAM assessed as inhibition of dsDNA methylation after 1 hr by scintillation proximity assay
50042824	4	ChEMBL_951487 (CHEMBL2350640)	Inhibition of recombinant full length human NNMT measured for 30 mins by SAHH-coupled fluorescence assay
50042824	5	ChEMBL_951484 (CHEMBL2350637)	Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate assessed as inhibition of nucleosome methylation incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation counting analysis
50042824	6	ChEMBL_951498 (CHEMBL2350651)	Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as inhibition of nucleosome methylation incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis
50042824	7	ChEMBL_951499 (CHEMBL2350652)	Competitive inhibition of human recombinant DOT1L (1 to 416 amino acid residues) using [3H]-SAM assessed as inhibition of nucleosome methylation incubated for 30 mins prior to substrate addition measured after 120 mins
50042825	1	ChEMBL_951534 (CHEMBL2350953)	Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay
50042826	1	ChEMBL_951811 (CHEMBL2353001)	Activation of glucokinase (unknown origin)
50042827	1	ChEMBL_951849 (CHEMBL2353262)	Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins
50042828	1	ChEMBL_951851 (CHEMBL2353264)	Displacement of [3H]-CP55940 from human CB2 receptor after 90 mins by liquid scintillation spectrophotometer analysis
50042828	2	ChEMBL_951850 (CHEMBL2353263)	Displacement of [3H]-CP55940 from human CB1 receptor after 90 mins by liquid scintillation spectrophotometer analysis
50042829	1	ChEMBL_952201 (CHEMBL2350997)	Inhibition of RSK2 (unknown origin) using AKRRRLSSLRA as substrate after 60 mins by fluorescence assay
50042829	3	ChEMBL_951858 (CHEMBL2353271)	Inhibition of His6x-tagged RSK2 C-terminal domain (unknown origin) expressed in Escherichia coli
50042829	4	ChEMBL_951859 (CHEMBL2353272)	Inhibition of GST-fused RSK2 (unknown origin) after 10 to 45 mins by immunoblotting analysis
50042829	5	ChEMBL_951860 (CHEMBL2353273)	Inhibition of ERK1 (unknown origin) after 10 mins by mobility shift assay
50042829	6	ChEMBL_951863 (CHEMBL2353276)	Inhibition of GSK3beta (unknown origin) after 10 mins by mobility shift assay
50042829	7	ChEMBL_951861 (CHEMBL2353274)	Inhibition of p38alpha (unknown origin) after 10 mins by mobility shift assay
50042829	8	ChEMBL_951864 (CHEMBL2353277)	Inhibition of AKT1 (unknown origin) after 10 mins by mobility shift assay
50042829	9	ChEMBL_951862 (CHEMBL2353275)	Inhibition of JNK2 (unknown origin) after 10 mins by mobility shift assay
50042829	10	ChEMBL_951865 (CHEMBL2353278)	Inhibition of MSK1 (unknown origin) after 10 mins by mobility shift assay
50042829	12	ChEMBL_952139 (CHEMBL2350666)	Inhibition of c-MET (unknown origin) after 10 mins by mobility shift assay
50042829	13	ChEMBL_952142 (CHEMBL2350669)	Inhibition of SRC (unknown origin) after 10 mins by mobility shift assay
50042829	14	ChEMBL_952140 (CHEMBL2350667)	Inhibition of ABL (unknown origin) after 10 mins by mobility shift assay
50042829	15	ChEMBL_952143 (CHEMBL2350670)	Inhibition of KDR (unknown origin) after 10 mins by mobility shift assay
50042829	16	ChEMBL_952144 (CHEMBL2350671)	Inhibition of PDGFRalpha (unknown origin) after 10 mins by mobility shift assay
50042829	17	ChEMBL_952145 (CHEMBL2350672)	Inhibition of PDGFRbeta (unknown origin) after 10 mins by mobility shift assay
50042829	18	ChEMBL_952148 (CHEMBL2350675)	Inhibition of FGFR3 (unknown origin) after 10 mins by mobility shift assay
50042829	19	ChEMBL_952146 (CHEMBL2350673)	Inhibition of FGFR1 (unknown origin) after 10 mins by mobility shift assay
50042829	20	ChEMBL_952149 (CHEMBL2350676)	Inhibition of cKit (unknown origin) after 10 mins by mobility shift assay
50042829	21	ChEMBL_952147 (CHEMBL2350674)	Inhibition of PIM1 (unknown origin) after 10 mins by mobility shift assay
50042829	22	ChEMBL_952150 (CHEMBL2350677)	Inhibition of LCK (unknown origin) after 10 mins by mobility shift assay
50042829	23	ChEMBL_952151 (CHEMBL2350678)	Inhibition of LYNA (unknown origin) after 10 mins by mobility shift assay
50042829	24	ChEMBL_952153 (CHEMBL2350680)	Inhibition of p70S6K (unknown origin) after 10 mins by mobility shift assay
50042829	26	ChEMBL_952152 (CHEMBL2350679)	Inhibition of PDK1 (unknown origin) after 10 mins by mobility shift assay
50042830	1	ChEMBL_952207 (CHEMBL2351003)	Inhibition of electric eel AChE after 30 mins by Ellman's method
50042831	1	ChEMBL_952450 (CHEMBL2353043)	Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042831	2	ChEMBL_952448 (CHEMBL2353041)	Antagonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042831	3	ChEMBL_952450 (CHEMBL2353043)	Agonist activity at human mu opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting
50042831	4	ChEMBL_952453 (CHEMBL2353046)	Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50042831	7	ChEMBL_952453 (CHEMBL2353046)	Displacement of [3H]DAMGO from human kappa opioid receptor expressed in CHO cell membrane after 60 mins by liquid scintillation counting
50042832	1	ChEMBL_952466 (CHEMBL2353059)	Inhibition of IL-6-induced STAT3 pathway in human HepG2 cells by luciferase reporter gene assay
50042833	1	ChEMBL_952752 (CHEMBL2350731)	Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay
50042833	2	ChEMBL_952751 (CHEMBL2350730)	Antagonist activity at human OX2 receptor expressed in CHO cells assessed as inhibition of orexin A-induced calcium influx by FLIPR assay
50042834	1	ChEMBL_952779 (CHEMBL2351028)	Inhibition of T-140 binding to CXCR4 (unknown origin) expressed in dog Cf2Th cells incubated for 30 mins prior to T-140 addition measured after 30 mins by fluorescence assay
50042835	1	ChEMBL_952786 (CHEMBL2351035)	Inhibition of PTP1B (unknown origin)
50042836	1	ChEMBL_953359 (CHEMBL2350446)	Inhibition of Eg5 (unknown origin)
50042836	2	ChEMBL_953105 (CHEMBL2353344)	Inhibition of human Eg5 assessed as inhibition of microtubule-induced ATPase activity
50042836	3	ChEMBL_953106 (CHEMBL2353345)	Inhibition of human Eg5 basal ATPase activity
50042836	4	ChEMBL_953107 (CHEMBL2353346)	Inhibition of Eg5 in human HCT116 cells assessed as inhibition of microtubule-induced ATPase activity after 18 hrs
50042836	5	ChEMBL_953118 (CHEMBL2353357)	Inhibition of human Eg5 catalytic domain assessed as inhibition of microtubulin-induced ATPase activity after 25 mins by spectrophotometric analysis
50042836	6	ChEMBL_953117 (CHEMBL2353356)	Inhibition of human Eg5 catalytic domain basal ATPase activity after 25 mins by spectrophotometric analysis
50042836	7	ChEMBL_953119 (CHEMBL2353358)	Inhibition of human His-tagged Eg5 (1 to 368 amino acid residues) basal ATPase activity
50042836	8	ChEMBL_953120 (CHEMBL2353359)	Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis
50042836	9	ChEMBL_953121 (CHEMBL2353360)	Inhibition of Eg5 assessed as inhibition of microtubule-induced ATPase activity (unknown origin)
50042836	10	ChEMBL_953357 (CHEMBL2350444)	Inhibition of Eg5 basal ATPase activity (unknown origin)
50042837	1	ChEMBL_953654 (CHEMBL2352558)	Inhibition of wild type GST-tagged LRRK2 (970-2527 amino acids)(unknown origin) assessed as inhibition of LRRKtide phosphorylation by HTRF assay
50042838	1	ChEMBL_953658 (CHEMBL2352562)	Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP
50042839	1	ChEMBL_953681 (CHEMBL2352585)	Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method
50042839	2	ChEMBL_953666 (CHEMBL2352570)	Ex vivo inhibition of ADAMTS-5-mediated aggrecan degradation in IL-1-stimulated bovine cartilage explant
50042839	4	ChEMBL_953669 (CHEMBL2352573)	Inhibition of ADAMTS-5 (unknown origin)
50042839	5	ChEMBL_953674 (CHEMBL2352578)	Inhibition of TACE (unknown origin)
50042839	6	ChEMBL_953676 (CHEMBL2352580)	Inhibition of MMP14 (unknown origin) by FRET method
50042839	7	ChEMBL_953677 (CHEMBL2352581)	Inhibition of MMP3 (unknown origin) by FRET method
50042839	8	ChEMBL_953679 (CHEMBL2352583)	Inhibition of MMP2 (unknown origin) by FRET method
50042839	9	ChEMBL_953678 (CHEMBL2352582)	Inhibition of ADAMTS-13 (unknown origin)
50002429	5	ChEMBL_1763452 (CHEMBL4198699)	Mixed type inhibition of human erythrocyte AChE assessed as enzyme-substrate-inhibitor complex using varying levels of acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50042840	1	ChEMBL_954163 (CHEMBL2351678)	Inhibition of human Arg1
50042840	2	ChEMBL_954165 (CHEMBL2351680)	Inhibition of human Arg2 by colorimetric assay
50042840	3	ChEMBL_954166 (CHEMBL2351681)	Inhibition of human recombinant full length Arg1 using L-arginine as substrate assessed as urea level after 1 hr by colorimetric assay
50042841	2	ChEMBL_954167 (CHEMBL2351682)	Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization incubated 10 mins prior to urotensin2 stimulation measured after 10 mins by fluorometric analysis
50042841	4	ChEMBL_954177 (CHEMBL2351692)	Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay
50042841	5	ChEMBL_954176 (CHEMBL2351691)	Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization after 1 hr by FLIPR assay
50042842	1	ChEMBL_949839 (CHEMBL2351432)	Inhibition of rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042842	2	ChEMBL_954190 (CHEMBL2351705)	Inhibition of human recombinant CDK5/p25 after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042842	3	ChEMBL_954191 (CHEMBL2351706)	Inhibition of pig brain CK1 using RRKHAAIGpSAYSITA as substrate after 30 mins by scintillation counting analysis in presence of [gamma-33P]ATP
50042843	1	ChEMBL_949874 (CHEMBL2351467)	Inhibition of wild type LRRK2 (unknown origin) by TR-FRET assay
50042844	1	ChEMBL_950413 (CHEMBL2350909)	Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis
50042845	1	ChEMBL_950616 (CHEMBL2352366)	Displacement of [125I]-o-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting
50042845	2	ChEMBL_950614 (CHEMBL2352364)	Binding affinity to CRF1 receptor (unknown origin)
50042846	1	ChEMBL_950625 (CHEMBL2352375)	Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay
50002431	1	ChEMBL_1763458 (CHEMBL4198705)	Inhibition of Middle East respiratory syndrome-related coronavirus 3CL protease using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate incubated for 30 mins followed by substrate addition measured after 1 hr by FRET assay
50002431	2	ChEMBL_1763459 (CHEMBL4198706)	Inhibition of SARS coronavirus 3CL protease using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate incubated for 30 mins followed by substrate addition measured after 1 hr by FRET assay
50042848	1	ChEMBL_950662 (CHEMBL2352665)	Displacement of [3H]R1881 from full length androgen receptor in human LNCAP cells
50042848	2	ChEMBL_950667 (CHEMBL2352670)	Binding affinity to rat androgen receptor ligand binding domain by fluorescence polarization assay
50042849	1	ChEMBL_950672 (CHEMBL2352675)	Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting
50042849	2	ChEMBL_950673 (CHEMBL2352676)	Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting
50042849	3	ChEMBL_950675 (CHEMBL2352678)	Binding affinity to CB2 receptor (unknown origin)
50042849	4	ChEMBL_950674 (CHEMBL2352677)	Binding affinity to CB1 receptor (unknown origin)
50042850	1	ChEMBL_950680 (CHEMBL2352923)	Displacement of [3H]raclopride from D2 receptor in human corpus striatum after 30 mins by scintillation counting
50042850	2	ChEMBL_950921 (CHEMBL2349994)	Displacement of [3H]mesulergine from 5-HT2C receptor in human frontal cortex after 30 mins by scintillation counting
50042850	3	ChEMBL_950920 (CHEMBL2349993)	Displacement of [3H]ketanserin from 5-HT2A receptor in human frontal cortex after 30 mins by scintillation counting
50042851	1	ChEMBL_950925 (CHEMBL2349998)	Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis
50042852	1	ChEMBL_950927 (CHEMBL2350000)	Binding affinity to human thrombin
50042853	1	ChEMBL_950939 (CHEMBL2350012)	Inhibition of rat intestinal lactase using lactose as substrate by colorimetric analysis
50042853	2	ChEMBL_950940 (CHEMBL2350013)	Inhibition of rat intestinal maltase using maltose as substrate by colorimetric analysis
50042854	1	ChEMBL_950950 (CHEMBL2350276)	Inhibition of human CYP2C9
50042854	2	ChEMBL_950949 (CHEMBL2350275)	Inhibition of human CYP2D6
50042854	3	ChEMBL_950952 (CHEMBL2350278)	Inhibition of human CYP3A4
50042854	4	ChEMBL_950951 (CHEMBL2350277)	Inhibition of human CYP1A2
50042855	1	ChEMBL_950960 (CHEMBL2350286)	Inhibition of recombinant Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate incubated for 40 mins prior to substrate addition measured after 10 mins by FRET-based fluorometric analysis
50042856	1	ChEMBL_950964 (CHEMBL2350290)	Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM
50042856	2	ChEMBL_950965 (CHEMBL2350291)	Displacement of ([125I]-His3, MePhe7)-NKB from NK3R (unknown origin) transfected in CHO cells by gamma counting analysis
50042857	1	ChEMBL_951243 (CHEMBL2353244)	Inhibition of COX2 in human blood assessed as TxB2 level after 1 hr by enzyme immunoassay
50042857	2	ChEMBL_951244 (CHEMBL2353245)	Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay
50042858	1	ChEMBL_951257 (CHEMBL2353483)	Inhibition of MDM2 (unknown origin) assessed as activation of p53
50042859	1	ChEMBL_951590 (CHEMBL2351265)	Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis
50042859	2	ChEMBL_951591 (CHEMBL2351266)	Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis
50042859	3	ChEMBL_951575 (CHEMBL2351250)	Inhibition of NK3 receptor (unknown origin)
50042859	4	ChEMBL_951574 (CHEMBL2351249)	Inhibition of NK2 receptor (unknown origin)
50042859	5	ChEMBL_951576 (CHEMBL2351251)	Inhibition of 5HT2C receptor (unknown origin)
50042859	6	ChEMBL_951578 (CHEMBL2351253)	Inhibition of 5HT2B receptor (unknown origin)
50042859	7	ChEMBL_951577 (CHEMBL2351252)	Inhibition of 5HT2A receptor (unknown origin)
50042859	8	ChEMBL_951580 (CHEMBL2351255)	Inhibition of 5HT1B receptor (unknown origin)
50042859	9	ChEMBL_951579 (CHEMBL2351254)	Inhibition of 5HT1A receptor (unknown origin)
50042859	10	ChEMBL_951582 (CHEMBL2351257)	Inhibition of NET (unknown origin)
50042859	11	ChEMBL_951581 (CHEMBL2351256)	Inhibition of DAT (unknown origin)
50042860	1	ChEMBL_951592 (CHEMBL2351267)	Inhibition of human FPPS
50042860	2	ChEMBL_951594 (CHEMBL2351269)	Inhibition of human recombinant N-terminal His6-tagged FPPS transfected in Escherichia coli BL21 (DE3) cells using GPP and [3H]-IPP as substrate incubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting analysis
50002431	3	ChEMBL_1763460 (CHEMBL4198707)	Inhibition of Feline infectious peritonitis virus 3CL protease using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate incubated for 30 mins followed by substrate addition measured after 1 hr by FRET assay
50042862	1	ChEMBL_951613 (CHEMBL2351527)	Inhibition of PARP1 (unknown origin)
50042863	1	ChEMBL_951874 (CHEMBL2353287)	Inhibition of CDC7 in human HCT116 cells assessed as MCM2 phosphorylation
50042863	2	ChEMBL_951877 (CHEMBL2353290)	Inhibition of CDK2 (unknown origin)
50042863	3	ChEMBL_951879 (CHEMBL2353507)	Inhibition of CDC7 (unknown origin)
50042864	1	ChEMBL_951906 (CHEMBL2353534)	Inhibition of recombinant human sEH expressed in Escherichia coli assessed as inhibition of substrate PHOME hydrolysis to 6-methoxy-2-naphthaldehyde after 5 mins by fluorescence assay
50042865	1	ChEMBL_952218 (CHEMBL2351014)	Inhibition of N-terminal FLAG-tagged JNK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	2	ChEMBL_952219 (CHEMBL2351015)	Inhibition of C-terminal FLAG-tagged IKKbeta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 5 mins by scintillation counting analysis
50042865	3	ChEMBL_952220 (CHEMBL2351279)	Inhibition of N-terminal FLAG-tagged GSK3beta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 30 mins by scintillation counting analysis
50042865	4	ChEMBL_952221 (CHEMBL2351280)	Inhibition of N-terminal FLAG-tagged ERK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	5	ChEMBL_952222 (CHEMBL2351281)	Inhibition of ZAP70 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	6	ChEMBL_952223 (CHEMBL2351282)	Inhibition of InsR (unknown origin) incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay
50042865	7	ChEMBL_952224 (CHEMBL2351283)	Inhibition of IGF1R (unknown origin) incubated for 5 mins prior to ATP addition measured after 20 mins by Alphascreen assay
50042865	8	ChEMBL_952225 (CHEMBL2351284)	Inhibition of N-terminal FLAG-tagged full length BMX (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	9	ChEMBL_952227 (CHEMBL2351286)	Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	10	ChEMBL_952228 (CHEMBL2351287)	Inhibition of N-terminal FLAG-tagged PLK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 40 mins by scintillation counting analysis
50042865	11	ChEMBL_952229 (CHEMBL2351288)	Inhibition of N-terminal FLAG-tagged TAK1 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	12	ChEMBL_952230 (CHEMBL2351289)	Inhibition of N-terminal FLAG-tagged TTK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 10 mins by scintillation counting analysis
50042865	13	ChEMBL_952231 (CHEMBL2351290)	Inhibition of PDGFRbeta (unknown origin) incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay
50042865	14	ChEMBL_952232 (CHEMBL2351291)	Inhibition of PDGFRalpha (unknown origin) incubated for 5 mins prior to ATP addition measured after 30 mins by Alphascreen assay
50042865	15	ChEMBL_952233 (CHEMBL2351292)	Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	16	ChEMBL_952234 (CHEMBL2351293)	Inhibition of VEGFR1 (unknown origin) incubated for 5 mins prior to ATP addition measured after 5 mins by Alphascreen assay
50042865	17	ChEMBL_952235 (CHEMBL2351294)	Inhibition of C-terminal FLAG-tagged MEKK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	19	ChEMBL_952237 (CHEMBL2351296)	Inhibition of CSK (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	20	ChEMBL_952236 (CHEMBL2351295)	Inhibition of N-terminal FLAG-tagged full length FAK (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to ATP addition measured after 60 mins by Alphascreen assay
50042865	21	ChEMBL_952239 (CHEMBL2351298)	Inhibition of FGFR3 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	22	ChEMBL_952240 (CHEMBL2351299)	Inhibition of FGFR1 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	23	ChEMBL_952241 (CHEMBL2351300)	Inhibition of TIE2 (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	24	ChEMBL_952242 (CHEMBL2351301)	Inhibition of N-terminal GST-fused MEK1 (unknown origin) incubated for 5 mins prior to [gamma-33P]ATP addition measured after 20 mins by scintillation counting analysis
50042865	26	ChEMBL_952245 (CHEMBL2351304)	Inhibition of c-kit (unknown origin) incubated for 5 mins prior to ATP addition measured after 20 mins by Alphascreen assay
50042865	28	ChEMBL_952246 (CHEMBL2351305)	Inhibition of c-MET (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	29	ChEMBL_952247 (CHEMBL2351306)	Inhibition of LCK (unknown origin) incubated for 5 mins prior to ATP addition measured after 30 mins by Alphascreen assay
50042865	30	ChEMBL_952248 (CHEMBL2351307)	Inhibition of LYNB (unknown origin) incubated for 5 mins prior to ATP addition measured after 10 mins by Alphascreen assay
50042865	31	ChEMBL_952249 (CHEMBL2351308)	Inhibition of N-terminal FLAG-tagged p38alpha (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 60 mins by scintillation counting analysis
50042865	32	ChEMBL_952250 (CHEMBL2351309)	Inhibition of N-terminal FLAG-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 30 mins by scintillation counting analysis
50042865	33	ChEMBL_952251 (CHEMBL2351557)	Inhibition of wild type N-terminal FLAG-tagged B-raf (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-33P]ATP addition measured after 20 mins by scintillation counting analysis
50042865	34	ChEMBL_952252 (CHEMBL2351558)	Inhibition of HER4 cytoplasmic domain (unknown origin) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-32P]ATP addition measured after 10 mins by scintillation counting analysis
50042865	35	ChEMBL_952256 (CHEMBL2351562)	Inhibition of human N-terminal DYKDDDD-tagged EGFR cytoplasmic domain (669 to 1210) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-32P]ATP addition measured after 10 mins by scintillation counting analysis
50042865	36	ChEMBL_952257 (CHEMBL2351563)	Inhibition of human N-terminal DYKDDDD-tagged HER2 cytoplasmic domain (676 to 1255) expressed in baculovirus expression system incubated for 5 mins prior to [gamma-32P]ATP addition measured after 10 mins by scintillation counting analysis
50042866	1	ChEMBL_952507 (CHEMBL2353329)	Inhibition of tumor-associated transmembrane human carbonic anhydrase-12 after 15 mins by Stopped-flow CO2 hydrase assay
50042866	2	ChEMBL_952508 (CHEMBL2353330)	Inhibition of tumor-associated transmembrane human carbonic anhydrase-9 after 15 mins by Stopped-flow CO2 hydrase assay
50042866	3	ChEMBL_952509 (CHEMBL2353331)	Inhibition of human carbonic anhydrase-3 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay
50042866	4	ChEMBL_952510 (CHEMBL2353332)	Inhibition of human carbonic anhydrase-2 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay
50042866	5	ChEMBL_952511 (CHEMBL2353333)	Inhibition of human carbonic anhydrase-1 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay
50042867	1	ChEMBL_952517 (CHEMBL2353552)	Displacement of [3H]Ro15-1788 from recombinant GABA-A alpha1beta2gamma2 receptor benzodiazepine binding site (unknown origin) after 1 hr
50042868	1	ChEMBL_952806 (CHEMBL2351311)	Inhibition of human thymidylate synthase by spectrophotometric analysis
50042869	1	ChEMBL_952815 (CHEMBL2351320)	Competitive inhibition of JNK2 (unknown origin) in presence of ATP
50042869	2	ChEMBL_952816 (CHEMBL2351321)	Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50042869	3	ChEMBL_952814 (CHEMBL2351319)	Competitive inhibition of JNK3 (unknown origin) in presence of ATP
50042869	4	ChEMBL_952810 (CHEMBL2351315)	Inhibition of JNK3 in human PBMCs assessed as decrease in LPS-induced TNFalpha mRNA level after 4 hrs by real-time reverse transcription-PCR analysis
50042869	5	ChEMBL_952811 (CHEMBL2351316)	Inhibition of JNK3 in human SH-SY5Y cells assessed as decrease in anisomycin-induced TNFalpha mRNA level incubated for 1 hr prior to anisomycin induction measured after 30 mins by quantitative real time PCR analysis
50042870	1	ChEMBL_952825 (CHEMBL2351330)	Inhibition of human ERG
50042870	2	ChEMBL_952828 (CHEMBL2351333)	Inhibition of CYP3A4 (unknown origin)
50042870	3	ChEMBL_952830 (CHEMBL2351335)	Inhibition of CYP2D6 (unknown origin)
50042870	4	ChEMBL_952831 (CHEMBL2351336)	Inhibition of CYP2C9 (unknown origin)
50042871	1	ChEMBL_953144 (CHEMBL2353583)	Inhibition of human RET
50042871	2	ChEMBL_953145 (CHEMBL2353584)	Inhibition of human FMS
50042871	3	ChEMBL_953146 (CHEMBL2353585)	Inhibition of PDGFRbeta (unknown origin) by AlphaScreen assay
50042871	4	ChEMBL_953148 (CHEMBL2353587)	Inhibition of PDGFRalpha (unknown origin) by AlphaScreen assay
50042871	5	ChEMBL_953147 (CHEMBL2353586)	Inhibition of VEGFR3 (unknown origin) by AlphaScreen assay
50042871	6	ChEMBL_953149 (CHEMBL2353588)	Inhibition of VEGFR1 (unknown origin) by AlphaScreen assay
50042871	7	ChEMBL_953170 (CHEMBL2353609)	Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP
50042871	8	ChEMBL_953171 (CHEMBL2353610)	Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 1000 uM of ATP
50042871	9	ChEMBL_953173 (CHEMBL2353612)	Inhibition of B-raf (unknown origin)
50042871	10	ChEMBL_953174 (CHEMBL2353613)	Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP
50042872	1	ChEMBL_953434 (CHEMBL2350788)	Inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by spectrophotometry
50042872	2	ChEMBL_953182 (CHEMBL2353857)	Inhibition of TC-PTP (unknown origin)
50042872	3	ChEMBL_953183 (CHEMBL2353858)	Inhibition of LYP (unknown origin)
50042872	4	ChEMBL_953186 (CHEMBL2353861)	Inhibition of human VHR
50042872	5	ChEMBL_953185 (CHEMBL2353860)	Inhibition of SHP2 (unknown origin)
50042872	6	ChEMBL_953188 (CHEMBL2353863)	Non-competitive inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by Lineweaver-Burk plot
50042873	1	ChEMBL_953474 (CHEMBL2351085)	Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis
50042873	2	ChEMBL_953473 (CHEMBL2351084)	Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis
50042873	3	ChEMBL_953457 (CHEMBL2351068)	Binding affinity to adenosine A1 receptor (unknown origin)
50042874	1	ChEMBL_953475 (CHEMBL2351086)	Inhibition of bromodomain BRD4-mediated c-myc mRNA expression in human HT-29 cells after 24 hrs by RT-qPCR analysis relative to control
50042874	2	ChEMBL_953486 (CHEMBL2351097)	Displacement of FITC-labeled (+)-JQ1 from bromodomain BRD4(1) (unknown origin) expressed in Escherichia coli BL21(DE3) after 4 hrs by fluorescence anisotropy assay
50042874	3	ChEMBL_953487 (CHEMBL2351098)	Binding affinity to human His-tagged bromodomain BRD4(1) by isothermal titration calorimetry
50002432	1	ChEMBL_1763558 (CHEMBL4198805)	Inhibition of human topoisomerase-2B after 2 hrs by ELISA
50002433	1	ChEMBL_1763653 (CHEMBL4198900)	Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50002433	2	ChEMBL_1763654 (CHEMBL4198901)	Inhibition of full length human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50002433	3	ChEMBL_1763648 (CHEMBL4198895)	Inhibition of PDE5A (unknown origin)
50002433	4	ChEMBL_1763650 (CHEMBL4198897)	Inhibition of HDAC2 (unknown origin)
50002433	5	ChEMBL_1763655 (CHEMBL4198902)	Inhibition of full length human recombinant C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (95 to 489 residues) expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50002433	6	ChEMBL_1763656 (CHEMBL4198903)	Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 30 mins by fluorescence assay
50002433	7	ChEMBL_1763657 (CHEMBL4198904)	Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 1 hr fluorescence assay
50002433	8	ChEMBL_1763666 (CHEMBL4198913)	Inhibition of full length human recombinant N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30 mins by fluorescence assay
50042875	2	ChEMBL_954242 (CHEMBL2352017)	Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay
50002433	9	ChEMBL_1763651 (CHEMBL4198898)	Inhibition of HDAC3 (unknown origin)
50002433	10	ChEMBL_1763649 (CHEMBL4198896)	Inhibition of HDAC1 (unknown origin)
50002433	11	ChEMBL_1763658 (CHEMBL4198905)	Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using fluorogenic HDAC substrate 3 after 4 hrs fluorescence assay
50002433	12	ChEMBL_1763694 (CHEMBL4198941)	Inhibition of PDE3A (unknown origin) using FAM-cGMP as substrate by fluorescence assay
50002433	13	ChEMBL_1763698 (CHEMBL4198945)	Inhibition of human HDAC9
50002433	14	ChEMBL_1763652 (CHEMBL4198899)	Inhibition of HDAC6 (unknown origin)
50002433	15	ChEMBL_1763693 (CHEMBL4198940)	Inhibition of PDE6C (unknown origin) using FAM-cGMP as substrate by fluorescence assay
50002433	16	ChEMBL_1763695 (CHEMBL4198942)	Inhibition of human HDAC8
50002433	17	ChEMBL_1763692 (CHEMBL4198939)	Inhibition of full length human recombinant N-terminal GST-tagged PDE9A2 expressed in baculovirus infected sf9 cells using cGMP as substrate after 30 mins by fluorescence assay
50002433	18	ChEMBL_1763696 (CHEMBL4198943)	Inhibition of human HDAC5
50002433	19	ChEMBL_1763697 (CHEMBL4198944)	Inhibition of human HDAC4
50042876	1	ChEMBL_949940 (CHEMBL2352040)	Inhibition of chymotrypsin-like activity of proteasome beta5 subunit in human MDA-MB-468 cells using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 2 hrs by fluorescence assay
50042877	1	ChEMBL_950471 (CHEMBL2351223)	Displacement of (-)-[3H]-vesamicol from rat VAChT transfected in rat PC12 cells after 120 mins by competitive binding assay
50042877	2	ChEMBL_950474 (CHEMBL2351226)	Displacement of (+)-[3H]pentazocine from rat brain sigma1 receptor by competitive binding assay
50042877	3	ChEMBL_949952 (CHEMBL2352307)	Binding affinity to human brain sigma1 receptor
50042877	4	ChEMBL_949951 (CHEMBL2352306)	Binding affinity to sigma1 receptor (unknown origin)
50042877	5	ChEMBL_949957 (CHEMBL2352312)	Binding affinity to rat VAChT
50042877	6	ChEMBL_949956 (CHEMBL2352311)	Binding affinity to EBP (unknown origin)
50042878	1	ChEMBL_950482 (CHEMBL2351234)	Inhibition of HMG-CoA reductase in human A549 cells after 5 mins by spectrophotometric analysis
50042878	2	ChEMBL_950483 (CHEMBL2351235)	Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis
50042878	3	ChEMBL_950484 (CHEMBL2351477)	Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis
50042878	4	ChEMBL_950485 (CHEMBL2351478)	Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis
50042878	5	ChEMBL_950486 (CHEMBL2351479)	Inhibition of recombinant HMG-CoA reductase (unknown origin) after 10 mins by spectrophotometric analysis
50042879	1	ChEMBL_950695 (CHEMBL2352938)	Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor
50042879	2	ChEMBL_950696 (CHEMBL2352939)	Inhibition of human recombinant MPO-mediated LDL oxidation after 5 mins by ELISA
50042879	3	ChEMBL_950697 (CHEMBL2352940)	Inhibition of human recombinant MPO-mediated taurine chlorination after 5 mins by microplate assay
50042880	1	ChEMBL_950702 (CHEMBL2352945)	Inhibition of C-terminal His-tagged wild type CYP3A4 (unknown origin)-mediated hydroxylation of 7-benzyloxy-4-trifluoromethylcoumarin expressed in Escherichia coli after 5 mins by fluorimetric analysis
50042881	3	ChEMBL_950727 (CHEMBL2353188)	Inhibition of pig pepsin using WIPHPFHLVIHTC-MR121 as substrate
50042881	4	ChEMBL_950729 (CHEMBL2353190)	Inhibition of rennin (unknown origin) using WIPHPFHLVIHTC-MR121 as substrate
50042881	5	ChEMBL_950730 (CHEMBL2353191)	Inhibition of human recombinant Cathepsin E using MR121-CKLVFFAEDW as substrate
50042881	6	ChEMBL_950731 (CHEMBL2353192)	Inhibition of human Cathepsin D using WTSVLMAAPC-MR121 as substrate
50042881	7	ChEMBL_950732 (CHEMBL2353193)	Inhibition of human CYP2C9
50042881	8	ChEMBL_950734 (CHEMBL2353195)	Inhibition of human CYP2D6
50042881	9	ChEMBL_950733 (CHEMBL2353194)	Inhibition of human CYP3A4
50042881	10	ChEMBL_950723 (CHEMBL2353184)	Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric analysis
50002434	1	ChEMBL_1763987 (CHEMBL4199234)	Induction of human recombinant N-terminal GST tagged-ULK1 (1 to 649 residues) kinase activity expressed in baculovirus infected insect Sf9 cells using MBP as substrate after 60 mins by ADP-glo assay
50002434	2	ChEMBL_1763813 (CHEMBL4199060)	Binding affinity to wild type recombinant FLAG tagged-ULK1 (unknown origin) after 360 secs by SPR assay
50002435	1	ChEMBL_1763994 (CHEMBL4199241)	Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC analysis
50002436	1	ChEMBL_1764010 (CHEMBL4199257)	Inhibition of human GSTO1-1 by MMA (V) reductase assay
50002436	2	ChEMBL_1764012 (CHEMBL4199259)	Inhibition of GSTO1-1 in human MDA-MB-231 cells
50002436	3	ChEMBL_1764009 (CHEMBL4199256)	Inhibition of human GSTP1-1
50002436	4	ChEMBL_1764008 (CHEMBL4199255)	Inhibition of GSTO1-1 (unknown origin) by enzymatic assay
50002436	5	ChEMBL_1764011 (CHEMBL4199258)	Inhibition of GSTO1-1 (unknown origin) by 4-NPG substrate based assay
50002436	6	ChEMBL_1764013 (CHEMBL4199260)	Inhibition of GSTO1-1 (unknown origin) pre-incubated for 1 hr before GSH addition by CDNB-GSH conjugation assay
50002436	7	ChEMBL_1764015 (CHEMBL4199262)	Inhibition of human GSTP1-1 expressed in HEK293 cells by by CDNB-GSH conjugation assay
50002436	8	ChEMBL_1764016 (CHEMBL4199263)	Inhibition of GSTO1-1 in human HeLa cells
50002436	9	ChEMBL_1764014 (CHEMBL4199261)	Inhibition of 20S proteasome activity in human ANBL-6 cells
50002436	10	ChEMBL_1764017 (CHEMBL4199264)	Inhibition of human recombinant GSTO1-1 incubated for 30 mins by fluorescence polarization based gel-based competitive ABPP assay
50042882	1	ChEMBL_951349 (CHEMBL2354036)	Partial agonist activity at human A3 adenosine receptor
50042882	2	ChEMBL_951348 (CHEMBL2354035)	Antagonist activity at A3 adenosine receptor (unknown origin) assessed as inhibition of adenylate cyclase activity
50042882	3	ChEMBL_951618 (CHEMBL2351532)	Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor transfected in CHO cells after 60 mins by liquid scintillation counting analysis
50042882	4	ChEMBL_951619 (CHEMBL2351533)	Displacement of [3H]CGS21680 from human A2A adenosine receptor transfected in HEK293 cells after 60 mins by liquid scintillation counting analysis
50042882	5	ChEMBL_951620 (CHEMBL2351534)	Displacement of [3H]DPCPX from human recombinant A1 adenosine receptor transfected in CHO cells after 60 mins by liquid scintillation counting analysis
50042883	1	ChEMBL_951638 (CHEMBL2351552)	Inhibition of MDM2 in human SJSA1 cells assessed as upregulation of p21 transcript level after 7 hrs by qRT-PCR analysis in presence of 10% serum
50042883	2	ChEMBL_951639 (CHEMBL2351553)	Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum
50042883	3	ChEMBL_951640 (CHEMBL2351554)	Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated for 20 mins followed by p53 addition measured after 60 mins by HTRF assay in presence of 15% serum
50042883	4	ChEMBL_951641 (CHEMBL2351555)	Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated for 20 mins followed by p53 addition measured after 60 mins by HTRF assay
50042884	1	ChEMBL_951965 (CHEMBL2354042)	Inhibition of CYP2B1 (unknown origin)-mediated depentylation of resorufin pentyl ether after 5 mins by spectrofluorimetric analysis
50002439	1	ChEMBL_1764019 (CHEMBL4199266)	Inhibition of peripheral-type benzodiazepine receptor (unknown origin)
50002439	2	ChEMBL_1764018 (CHEMBL4199265)	Inhibition of adenosine A3 receptor (unknown origin)
50002441	1	ChEMBL_1764023 (CHEMBL4199270)	Displacement of [3H]5-CT from rat 5-HT7 receptor expressed in HEK293 cell membranes by radioligand binding assay
50002441	2	ChEMBL_1764033 (CHEMBL4199280)	Displacement of [3H]5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes by Cheng-Prusoff equation analysis
50002441	3	ChEMBL_1764020 (CHEMBL4199267)	Binding affinity to 5-HT7 receptor (unknown origin)
50002441	4	ChEMBL_1764021 (CHEMBL4199268)	Binding affinity to human 5-HT7 receptor by radioligand binding assay
50002441	5	ChEMBL_1764024 (CHEMBL4199271)	Displacement of [3H]LSD from rat recombinant 5-HT7 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assay
50002441	6	ChEMBL_1764027 (CHEMBL4199274)	Displacement of [3H]-8-OH-DPAT from 5-HT1A in rat hippocampal membranes incubated for 20 mins by radioligand binding assay
50002441	7	ChEMBL_1764028 (CHEMBL4199275)	Displacement of [3H]5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes
50002441	8	ChEMBL_1764029 (CHEMBL4199276)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in HEK293 cell membranes incubated for 1 hr
50002441	9	ChEMBL_1764030 (CHEMBL4199277)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr
50042884	3	ChEMBL_951968 (CHEMBL2354045)	Irreversible inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysis
50042884	4	ChEMBL_951969 (CHEMBL2354046)	Irreversible inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis
50042884	5	ChEMBL_951977 (CHEMBL2354054)	Inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysis
50042884	6	ChEMBL_951978 (CHEMBL2354055)	Inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysis
50042885	1	ChEMBL_952261 (CHEMBL2351567)	Inhibition of human wild type GST-tagged EGFR kinase domain expressed in Sf9 cells by luminescence assay
50002441	10	ChEMBL_1764032 (CHEMBL4199279)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hR
50002441	11	ChEMBL_1764037 (CHEMBL4199284)	Binding affinity to 5-HT6 receptor (unknown origin)
50002441	12	ChEMBL_1764038 (CHEMBL4199285)	Binding affinity to 5-HT2A receptor (unknown origin)
50002441	13	ChEMBL_1764026 (CHEMBL4199273)	Displacement of [3H]lysergide from rat recombinant 5-HT7 receptor expressed in HEK293 cell membranes incubated for 60 mins by radioligand binding assay
50002441	14	ChEMBL_1764031 (CHEMBL4199278)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr
50002441	15	ChEMBL_1764039 (CHEMBL4199286)	Binding affinity to 5-HT2c receptor (unknown origin)
50002441	16	ChEMBL_1764025 (CHEMBL4199272)	Displacement of [3H]-5-CT from from 5-HT7 receptor in rat hypothalamus membranes by Cheng-Prusoff equation analysis
50042886	3	ChEMBL_952277 (CHEMBL2351583)	Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs
50042887	1	ChEMBL_952290 (CHEMBL2351869)	Agonist activity at rat recombinant wild type GluN1/GluN2A receptor expressed in Xenopus laevis oocytes by two electrode voltage clamp technique
50042887	2	ChEMBL_952289 (CHEMBL2351868)	Agonist activity at rat recombinant wild type GluN1/GluN2C receptor expressed in Xenopus laevis oocytes by two electrode voltage clamp technique
50042887	3	ChEMBL_952291 (CHEMBL2351870)	Agonist activity at rat recombinant wild type GluN1/GluN2B receptor expressed in Xenopus laevis oocytes by two electrode voltage clamp technique
50042888	1	ChEMBL_952575 (CHEMBL2354088)	Agonist activity at human CB1 receptor transfected in human U2OS cells assessed as beta-arrestin2-GFP aggregation after 40 mins
50042888	2	ChEMBL_952579 (CHEMBL2354092)	Partial agonist activity at human CB1 receptor transfected in HEK293 cells assessed as reduction in forskolin-stimulated cAMP accumulation after 30 mins
50042888	3	ChEMBL_952578 (CHEMBL2354091)	Agonist activity at human CB1 receptor transfected in HEK293 cells assessed as reduction in forskolin-stimulated cAMP accumulation after 30 mins
50042888	4	ChEMBL_952581 (CHEMBL2354094)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cell membrane by competitive binding assay
50042888	5	ChEMBL_952584 (CHEMBL2354097)	Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen membrane by competitive binding assay
50042888	6	ChEMBL_952585 (CHEMBL2354098)	Displacement of [3H]CP-55940 from rat CB1 receptor expressed in rat brain membrane by competitive binding assay
50042889	1	ChEMBL_952907 (CHEMBL2351896)	Binding affinity to human His-tagged FKBP51 FK1 domain (1 to 140) by isothermal titration calorimetric analysis
50042889	2	ChEMBL_952909 (CHEMBL2351898)	Binding affinity to FKBP12 (unknown origin) by competitive fluorescence polarization assay
50042889	3	ChEMBL_952910 (CHEMBL2351899)	Binding affinity to human FKBP51 by competitive fluorescence polarization assay
50042890	1	ChEMBL_952936 (CHEMBL2351925)	Binding affinity to cIAP2 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F
50042890	2	ChEMBL_952937 (CHEMBL2351926)	Binding affinity to cIAP1 BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-2F
50042890	3	ChEMBL_952938 (CHEMBL2351927)	Binding affinity to XIAP linker BIR2-BIR3 domain (unknown origin) after 3 hrs by competitive fluorescence polarization assay in presence of Smac-1F
50042891	1	ChEMBL_953210 (CHEMBL2353885)	Inhibition of human IMPDH2
50042891	2	ChEMBL_953211 (CHEMBL2353886)	Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5 mins prior to substrate addition by fluorescence assay in presence of BSA
50042891	3	ChEMBL_953212 (CHEMBL2354115)	Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5 mins prior to substrate addition by fluorescence assay
50042892	1	ChEMBL_956022 (CHEMBL2380117)	Inhibition of telomerase in human HL60 cell extract by TRAP-LIG assay
50042893	1	ChEMBL_956187 (CHEMBL2379281)	Inhibition of bovine DHFR after 2 mins by spectrophotometry
50042894	1	ChEMBL_956331 (CHEMBL2379565)	Inhibition of human recombinant MAGL
50042894	2	ChEMBL_956325 (CHEMBL2379559)	Inhibition of FAAH in mouse brain membrane using oleamide as substrate preincubated for 30 mins
50042894	3	ChEMBL_956326 (CHEMBL2379560)	Inhibition of FAAH (unknown origin)
50042894	4	ChEMBL_956327 (CHEMBL2379561)	Inhibition of human MAGL expressed in Escherichia coli using 6-methoxy-4-methylcoumarin ester as substrate after 3 hrs by mass spectroscopic analysis
50042894	5	ChEMBL_956328 (CHEMBL2379562)	Inhibition of MAGL in rat cerebellar membranes
50042894	6	ChEMBL_956343 (CHEMBL2379577)	Inhibition of MAGL (unknown origin) using 4-nitrophenylacetate as substrate
50042894	7	ChEMBL_956329 (CHEMBL2379563)	Inhibition of MAGL (unknown origin)
50042894	8	ChEMBL_956330 (CHEMBL2379564)	Inhibition of rat MAGL expressed in monkey COS7 cells
50042894	9	ChEMBL_956332 (CHEMBL2379566)	Inhibition of human MAGL expressed in monkey COS7 cells
50042894	10	ChEMBL_956333 (CHEMBL2379567)	Inhibition of recombinant MAGL (unknown origin) expressed in monkey COS7 cells
50042894	11	ChEMBL_956334 (CHEMBL2379568)	Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain membranes preincubated for 30 mins
50042894	12	ChEMBL_956341 (CHEMBL2379575)	Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic acid preincubated for 10 mins measured after 45 mins by HPLC analysis
50042894	13	ChEMBL_956342 (CHEMBL2379576)	Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for 15 mins measured after 45 mins by HPLC analysis
50042895	1	ChEMBL_956489 (CHEMBL2379863)	Inhibition of BCR-ABL kinase (unknown origin)
50042896	1	ChEMBL_956507 (CHEMBL2379920)	Inhibition of c-MET (unknown origin) after 60 mins by ELISA
50042896	2	ChEMBL_956508 (CHEMBL2379921)	Inhibition of c-MET (unknown origin)
50042896	3	ChEMBL_956497 (CHEMBL2379871)	Inhibition of RET (unknown origin)
50042896	4	ChEMBL_956499 (CHEMBL2379873)	Inhibition of PDGFRalpha (unknown origin)
50042896	5	ChEMBL_956501 (CHEMBL2379875)	Inhibition of TYRO3 (unknown origin)
50042896	6	ChEMBL_956503 (CHEMBL2379877)	Inhibition of ABL (unknown origin)
50042896	7	ChEMBL_956502 (CHEMBL2379876)	Inhibition of RON (unknown origin)
50042897	1	ChEMBL_956547 (CHEMBL2379960)	Inhibition of Bcl-2 (unknown origin) after 15 hrs by FRET method
50042897	2	ChEMBL_956548 (CHEMBL2379961)	Competitive binding affinity to his-tagged Bcl-2 (unknown origin) after 1 hr by ELISA in presence of Bim peptide
50042898	1	ChEMBL_956674 (CHEMBL2379071)	Agonist activity at GDH-tagged human TRPA1 receptor expressed in HEK293F cells assessed as increase in intracellular Ca2+ concentration by FLIPR assay
50042898	2	ChEMBL_956684 (CHEMBL2379081)	Antagonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ elevation incubated for 5 mins prior to allyl isothiocyanate-stimulation by spectrofluorimetric analysis
50042898	3	ChEMBL_956682 (CHEMBL2379079)	Inhibition of MAGL (unknown origin) expressed in African green monkey COS7 cell cytosolic fraction assessed as [3H]2-AG hydrolysis to [3H]arachidonic acid after 20 mins by beta counting analysis
50042898	4	ChEMBL_956683 (CHEMBL2379080)	Inhibition of FAAH in rat brain membranes assessed as [14C]AEA hydrolysis to [14C]Ethanolamine after 30 mins by scintillation counting analysis
50042898	5	ChEMBL_956676 (CHEMBL2379073)	Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis
50042898	6	ChEMBL_956678 (CHEMBL2379075)	Antagonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ elevation incubated for 5 mins prior to capsaicin-stimulation by spectrofluorimetric analysis
50042898	7	ChEMBL_956679 (CHEMBL2379076)	Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis
50042899	1	ChEMBL_957252 (CHEMBL2378869)	Inhibition of FCgamma receptor in human PBMC assessed as inhibition of opsonized RBC phagocytosis incubated for 1 hr prior to RBC addition measured after 2 hrs by monocyte monolayer assay
50042900	1	ChEMBL_957421 (CHEMBL2378091)	Inhibition of 11beta-HSD1 in human HEK293 cells
50042901	1	ChEMBL_957667 (CHEMBL2378595)	Inhibition of human full length Pim-3 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP
50042901	2	ChEMBL_957672 (CHEMBL2378600)	Inhibition of human full length Pim-1 using RSRHSSYPAGT as substrate assessed as residual activity after 30 mins in presence of [gamma-33P]ATP
50042902	1	ChEMBL_957699 (CHEMBL2378664)	Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase reporter gene assay
50042903	1	ChEMBL_957967 (CHEMBL2378059)	Inhibition of human IKKbeta using GST-IkappaBalpha as substrate
50042904	1	ChEMBL_955710 (CHEMBL2379021)	Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for 2 mins by Ellman's method
50042904	2	ChEMBL_955711 (CHEMBL2379028)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for 2 mins by Ellman's method
50042905	1	ChEMBL_955790 (CHEMBL2379607)	Inhibition of mouse PI3Kalpha
50042905	2	ChEMBL_955788 (CHEMBL2379605)	Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells
50042905	3	ChEMBL_955789 (CHEMBL2379606)	Inhibition of mTOR (unknown origin)
50042906	1	ChEMBL_955826 (CHEMBL2379683)	Inhibition of aminopeptidase-N in human ES2 cells using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50042906	2	ChEMBL_955827 (CHEMBL2379684)	Inhibition of pig kidney microsome aminopeptidase-N using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50042907	1	ChEMBL_955828 (CHEMBL2379685)	Antagonist activity at P2X7 receptor (unknown origin)
50042907	2	ChEMBL_955829 (CHEMBL2379686)	Antagonist activity at P2X1 receptor (unknown origin)
50042907	3	ChEMBL_955832 (CHEMBL2379689)	Antagonist activity at human recombinant P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current incubated for 20 mins prior to ATP-induction by two-electrode voltage clamp assay
50042907	4	ChEMBL_955889 (CHEMBL2379815)	Antagonist activity at mouse recombinant P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current incubated for 20 mins prior to ATP-induction by two-electrode voltage clamp assay
50042908	1	ChEMBL_955915 (CHEMBL2379884)	Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay
50042909	1	ChEMBL_956034 (CHEMBL2380129)	Inhibition of recombinant Icmt (unknown origin) expressed in Sf9 cells assessed as transfer of methyl group from [3H]-S-adenosylmethionine to [3H]-biotin-S-farnesyl-L-cysteine after 30 mins
50042910	1	ChEMBL_956396 (CHEMBL2379709)	Inhibition of JNK3-mediated c-Jun phosphorylation in rat INS-1 cells after 3 hrs by ELISA
50042911	1	ChEMBL_956577 (CHEMBL2380027)	Inhibition of PARP1 (unknown origin) after 15 mins by fluorometric analysis
50042912	1	ChEMBL_956594 (CHEMBL2380080)	Inhibition interleukin-5 in mouse Y16 cells after 48 hrs by WST-1 assay
50042913	1	ChEMBL_956756 (CHEMBL2379237)	Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 cells after 1 hr
50042914	1	ChEMBL_956919 (CHEMBL2378195)	Inhibition of mouse FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis
50042914	2	ChEMBL_956920 (CHEMBL2378196)	Inhibition of human FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis
50042915	1	ChEMBL_956929 (CHEMBL2378246)	Inhibition of TCPTP (unknown origin)
50042915	2	ChEMBL_956928 (CHEMBL2378245)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli assessed as conversion of pNPP to 4-nitrophenol
50042915	3	ChEMBL_956926 (CHEMBL2378243)	Inhibition of PTP1B (unknown origin)-mediated pNPP hydrolysis to 4-nitrophenol after 60 mins by spectrophotometric analysis
50042915	4	ChEMBL_956927 (CHEMBL2378244)	Inhibition of PTP1B (unknown origin)
50042916	1	ChEMBL_956931 (CHEMBL2378248)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release of p-nitrophenol incubated for 10 mins prior to substrate addition measured after 30 mins
50042917	1	ChEMBL_957080 (CHEMBL2378545)	Inhibition of human recombinant CYP2D6
50042917	2	ChEMBL_957079 (CHEMBL2378544)	Inhibition of human recombinant CYP2C9
50042917	3	ChEMBL_957095 (CHEMBL2378560)	Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis
50042918	1	ChEMBL_957099 (CHEMBL2378564)	Inhibition of ACAT2 (unknown origin)
50042918	2	ChEMBL_957100 (CHEMBL2378565)	Inhibition of ACAT1 (unknown origin)
50042919	1	ChEMBL_957284 (CHEMBL2378944)	Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay
50042920	1	ChEMBL_957632 (CHEMBL2378515)	Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by filtration assay
50042920	2	ChEMBL_957633 (CHEMBL2378516)	Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by filtration assay
50042920	3	ChEMBL_957625 (CHEMBL2378508)	Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation
50042920	4	ChEMBL_957626 (CHEMBL2378509)	Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation
50042920	5	ChEMBL_957627 (CHEMBL2378510)	Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation
50042920	6	ChEMBL_957631 (CHEMBL2378514)	Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition measured after 1 hr by filtration assay
50042920	7	ChEMBL_957459 (CHEMBL2378155)	Binding affinity to JAK1 (unknown origin) by ligand displacement assay
50042920	8	ChEMBL_957460 (CHEMBL2378198)	Binding affinity to JAK2 (unknown origin) by ligand displacement assay
50042920	9	ChEMBL_957461 (CHEMBL2378199)	Binding affinity to JAK3 (unknown origin) by ligand displacement assay
50042921	1	ChEMBL_957639 (CHEMBL2378522)	Inhibition of rat DAO using [14C]-putrescine as substrate after 1 hr by scintillation counting analysis
50042921	2	ChEMBL_957640 (CHEMBL2378523)	Inhibition of human DAO expressed in CHO cells using [14C]-putrescine as substrate after 1 hr by scintillation counting analysis
50042921	3	ChEMBL_957641 (CHEMBL2378524)	Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation counting analysis
50042921	4	ChEMBL_957642 (CHEMBL2378525)	Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation counting analysis
50042922	1	ChEMBL_957844 (CHEMBL2378957)	Inhibition of human recombinant DGAT2 using dioleoyl-sn-glycerol and [14C]oleoyl coenzyme A as substrate after 30 mins by liquid scintillation counting
50042922	2	ChEMBL_957845 (CHEMBL2378958)	Inhibition of human recombinant DGAT1 expressed in Sf9 cells using dioleoyl-sn-glycerol and [14C]oleoyl coenzyme A as substrate after 30 mins by liquid scintillation counting
50042922	3	ChEMBL_957854 (CHEMBL2378967)	Inhibition of human recombinant MGAT3 expressed in insect cell membrane using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting analysis
50042922	4	ChEMBL_957855 (CHEMBL2378968)	Inhibition of human recombinant MGAT1 expressed in insect cell membrane using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting analysis
50042922	5	ChEMBL_957856 (CHEMBL2378969)	Inhibition of mouse recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins by Ellmans assay based rapidfire LCMS analysis
50042922	6	ChEMBL_957858 (CHEMBL2378971)	Inhibition of human recombinant MGAT2 expressed in insect cell membrane using 2-oleoyl-sn-glycerol and oleoyl coenzyme A as substrate after 40 mins by Ellmans assay based rapidfire LCMS analysis
50042922	7	ChEMBL_957769 (CHEMBL2378802)	Inhibition of MGAT2 in mouse intestinal microsomes using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting analysis
50042922	8	ChEMBL_957770 (CHEMBL2378803)	Inhibition of MGAT2 in human intestinal microsomes using 2-oleyl-sn-glycerol and [14C]-oleyl-coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting analysis
50042922	9	ChEMBL_957771 (CHEMBL2378804)	Inhibition of human recombinant AWAT2 expressed in insect cell membrane using cetyl alcohol and [14C]oleoyl coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting
50042922	10	ChEMBL_957843 (CHEMBL2378918)	Inhibition of human recombinant AWAT1 expressed in insect cell membrane using palmitoleyl alcohol and [14C]stearoyl coenzyme A as substrate after 10 to 15 mins by liquid scintillation counting
50042923	1	ChEMBL_957859 (CHEMBL2378972)	Inhibition of JAK1/2 in human PBMC expressing CD14 assessed as inhibition of IFNgamma-induced STAT1 phosphorylation
50042923	2	ChEMBL_957860 (CHEMBL2378973)	Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-induced STAT5a phosphorylation
50042923	3	ChEMBL_957866 (CHEMBL2378979)	Inhibition of JAK1/3 in human PBMC expressing CD3 assessed as inhibition of IL2-induced STAT5a phosphorylation
50042923	4	ChEMBL_957863 (CHEMBL2378976)	Inhibition of JAK1 (unknown origin) using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to substrate addition measured after 1 hr by Topcount analysis
50042923	5	ChEMBL_957864 (CHEMBL2378977)	Inhibition of JAK2 (unknown origin) expressed in SF21 cells using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to substrate addition measured after 30 mins by Topcount analysis
50042923	6	ChEMBL_957865 (CHEMBL2378978)	Inhibition of JAK3 (unknown origin) using Biotin-KAIETDKEYYTVKD as substrate and [33Pgamma]ATP incubated for 10 mins prior to substrate addition measured after 30 mins by Topcount analysis
50042924	1	ChEMBL_957868 (CHEMBL2378981)	Activation of recombinant GFP-tagged SK1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins by Cerenkov counting analysis
50042925	1	ChEMBL_957891 (CHEMBL2377916)	Competitive inhibition of equine serum BChE by Lineweaver Burk reciprocal plot analysis in presence of acetylcholine
50042925	2	ChEMBL_957892 (CHEMBL2377917)	Mixed-type inhibition of electric eel AChE by Lineweaver Burk reciprocal plot analysis in presence of acetylcholine
50042925	3	ChEMBL_957894 (CHEMBL2377919)	Inhibition of equine serum BChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method
50042925	4	ChEMBL_957895 (CHEMBL2377920)	Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method
50042926	1	ChEMBL_957898 (CHEMBL2377923)	Displacement of [3H]-GR113808 from guinea pig 5HT4 receptor
50042927	1	ChEMBL_955731 (CHEMBL2379476)	Inhibition of CYP2D6 (unknown origin)
50042927	2	ChEMBL_955732 (CHEMBL2379477)	Inhibition of CYP2C19 (unknown origin)
50042927	3	ChEMBL_955733 (CHEMBL2379478)	Inhibition of CYP2C9 (unknown origin)
50042927	4	ChEMBL_955735 (CHEMBL2379480)	Inhibition of CYP1A2 (unknown origin)
50042928	1	ChEMBL_955747 (CHEMBL2379524)	Inhibition of Clostridium botulinum BoNT/A light chain (1 to 429 amino acid) using Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-NH2 as substrate after 10 mins by FRET assay
50042928	2	ChEMBL_955746 (CHEMBL2379523)	Inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-NH2 as substrate after 10 mins by FRET assay
50042929	1	ChEMBL_955840 (CHEMBL2379697)	Binding affinity to mouse histamine H4 receptor
50042929	2	ChEMBL_955844 (CHEMBL2379701)	Displacement of [3H]histamine from human histamine H2 receptor expressed in HEK cells
50042929	3	ChEMBL_955845 (CHEMBL2379702)	Displacement of [3H]histamine from human histamine H1 receptor expressed in HEK cells
50042929	4	ChEMBL_955841 (CHEMBL2379698)	Binding affinity to rat histamine H4 receptor
50042930	1	ChEMBL_956101 (CHEMBL2379126)	Inhibition of human lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSOB1.1] using [14C]-(3S)-2,3-oxidosqualene as substrate
50042930	2	ChEMBL_956102 (CHEMBL2379127)	Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8[pSM60.21] using [14C]-(3S)-2,3-oxidosqualene as substrate
50042930	3	ChEMBL_956104 (CHEMBL2379168)	Inhibition of Pneumocystis carinii lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pBJ4.21] using [14C]-(3S)-2,3-oxidosqualene as substrate
50042930	4	ChEMBL_956105 (CHEMBL2379169)	Inhibition of wild type yeast lanosterol synthase expressed in Saccharomyces cerevisiae SMY8[pSM61.21] using [14C]-(3S)-2,3-oxidosqualene as substrate
50042931	1	ChEMBL_956137 (CHEMBL2379201)	Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis
50042931	2	ChEMBL_956255 (CHEMBL2379432)	Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis
50042931	3	ChEMBL_956138 (CHEMBL2379202)	Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis
50042932	1	ChEMBL_956649 (CHEMBL2380176)	Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042932	2	ChEMBL_956650 (CHEMBL2380177)	Inhibition of CDK7/Cyclin H (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042932	3	ChEMBL_956651 (CHEMBL2380178)	Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042932	4	ChEMBL_956652 (CHEMBL2380179)	Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042932	5	ChEMBL_956654 (CHEMBL2380181)	Inhibition of CDK3/Cyclin E (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042932	6	ChEMBL_956657 (CHEMBL2380184)	Inhibition of CDK1/Cyclin A (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured after 90 mins by P33-radiolabeled assay
50042933	1	ChEMBL_956786 (CHEMBL2379311)	Inhibition of calf intestinal alkaline phosphatase using p-NPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometry
50042934	1	ChEMBL_957002 (CHEMBL2378384)	Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FAD
50042934	2	ChEMBL_956970 (CHEMBL2378318)	Binding affinity to human recombinant DAAO at 520 nm spectral modification by stopped flow spectrophotometric analysis in presence of FAD
50042934	3	ChEMBL_957137 (CHEMBL2378636)	Binding affinity to pig kidney DAAO using D-alanine as substrate
50042934	4	ChEMBL_957005 (CHEMBL2378387)	Competitive inhibition of pig kidney DAAO in presence of D-alanine
50042934	5	ChEMBL_957003 (CHEMBL2378385)	Inhibition of DAAO (unknown origin)
50042934	6	ChEMBL_957004 (CHEMBL2378386)	Binding affinity to human recombinant DAAO at 442 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	7	ChEMBL_957001 (CHEMBL2378383)	Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine
50042934	8	ChEMBL_957000 (CHEMBL2378382)	Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine
50042934	9	ChEMBL_956981 (CHEMBL2378329)	Binding affinity to human recombinant DAAO at 492 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	10	ChEMBL_956980 (CHEMBL2378328)	Binding affinity to human recombinant DAAO at 490 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	11	ChEMBL_956978 (CHEMBL2378326)	Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	12	ChEMBL_956979 (CHEMBL2378327)	Binding affinity to human recombinant DAAO at 440 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	13	ChEMBL_956977 (CHEMBL2378325)	Binding affinity to human recombinant DAAO at 600 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	14	ChEMBL_956976 (CHEMBL2378324)	Binding affinity to human recombinant DAAO at 362 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	15	ChEMBL_956975 (CHEMBL2378323)	Binding affinity to human recombinant DAAO at 395 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	16	ChEMBL_956974 (CHEMBL2378322)	Binding affinity to human recombinant DAAO at 444 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	17	ChEMBL_956973 (CHEMBL2378321)	Binding affinity to human recombinant DAAO at 498 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	18	ChEMBL_956972 (CHEMBL2378320)	Binding affinity to human recombinant DAAO at 443 nm spectral modification by spectrophotometric analysis in presence of FAD
50042934	19	ChEMBL_956971 (CHEMBL2378319)	Binding affinity to human recombinant DAAO at 496 nm spectral modification by spectrophotometric analysis in presence of FAD
50042935	1	ChEMBL_957169 (CHEMBL2378707)	Inhibition of human methionine aminopeptidase 2 in presence of Mn2+
50042935	2	ChEMBL_957175 (CHEMBL2378713)	Inhibition of human methionine aminopeptidase 1 in presence of Co2+
50042935	3	ChEMBL_957176 (CHEMBL2378714)	Inhibition of human methionine aminopeptidase 1 in presence of Zn2+
50042935	4	ChEMBL_957177 (CHEMBL2378715)	Inhibition of human methionine aminopeptidase 1 in presence of Mn2+
50042936	1	ChEMBL_958508 (CHEMBL2383280)	Inhibition of human recombinant 11beta-HSD1 by scintillation proximity assay
50042936	2	ChEMBL_958506 (CHEMBL2383278)	Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay
50042936	3	ChEMBL_958507 (CHEMBL2383279)	Inhibition of rat 11beta-HSD1
50042936	4	ChEMBL_958505 (CHEMBL2383277)	Inhibition of human 11beta-HSD2
50042937	1	ChEMBL_958514 (CHEMBL2383286)	Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr by ELISA
50042938	1	ChEMBL_958516 (CHEMBL2383288)	Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assay
50042939	1	ChEMBL_958519 (CHEMBL2383291)	Displacement of [3H]alpha-BTX from human alpha7 nAChR expressed in rat GH4C1 cells after 60 mins
50042939	2	ChEMBL_959005 (CHEMBL2382818)	Displacement of (+/-)[3H]-epibatidine from human alpha4beta2 nAChR transfected in HEK293 cells after 90 mins by liquid scintillation counting analysis
50042939	3	ChEMBL_959008 (CHEMBL2382821)	Displacement of [3H]-methyllycaconitine from human alpha7 nAChR transfected in human SH-SY5Y cells after 240 mins by liquid scintillation counting analysis
50042939	4	ChEMBL_958518 (CHEMBL2383290)	Binding affinity to alpha7 nAChR (unknown origin)
50042940	1	ChEMBL_959456 (CHEMBL2384494)	Inhibition of human LPL expressed in HEK293 cells using PED-A1 as substrate by spectrophotometry
50042940	2	ChEMBL_959272 (CHEMBL2383839)	Time dependent inhibition of human EL (19 to 500) expressed in HEK293 cells using PED-A1 as substrate by spectrophotometry
50042940	3	ChEMBL_959458 (CHEMBL2384496)	Inhibition of human HL expressed in HEK293 cells using PED-A1 as substrate by spectrophotometry
50042940	4	ChEMBL_959457 (CHEMBL2384495)	Inhibition of mouse EL expressed in HEK293 cells using PED-A1 as substrate by spectrophotometry
50042941	1	ChEMBL_959509 (CHEMBL2384676)	Inhibition of human TSSK2
50042941	2	ChEMBL_959508 (CHEMBL2384675)	Inhibition of human RSK2
50042941	3	ChEMBL_959510 (CHEMBL2384677)	Inhibition of human ROCK2
50042941	4	ChEMBL_959512 (CHEMBL2384679)	Inhibition of human PLK3
50042941	5	ChEMBL_959514 (CHEMBL2384681)	Inhibition of human NEK2
50042941	6	ChEMBL_959513 (CHEMBL2384680)	Inhibition of human MST2
50042941	7	ChEMBL_959515 (CHEMBL2384682)	Inhibition of human MET
50042941	8	ChEMBL_959516 (CHEMBL2384683)	Inhibition of human JAK2
50042941	9	ChEMBL_959519 (CHEMBL2384686)	Inhibition of human IRAK4
50042941	10	ChEMBL_959518 (CHEMBL2384685)	Inhibition of human IKKB
50042941	11	ChEMBL_959521 (CHEMBL2384688)	Inhibition of human IGF1R
50042941	12	ChEMBL_959520 (CHEMBL2384687)	Inhibition of human ERK2
50042941	13	ChEMBL_959522 (CHEMBL2384689)	Inhibition of human CSNK1D
50042941	14	ChEMBL_959524 (CHEMBL2384691)	Inhibition of human CHK1
50042941	15	ChEMBL_959646 (CHEMBL2382716)	Inhibition of human CAMK4
50042941	16	ChEMBL_959649 (CHEMBL2382842)	Inhibition of human AKT1
50042941	17	ChEMBL_959656 (CHEMBL2382849)	Time-dependent inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by LC-MS/MS analysis
50042941	18	ChEMBL_959657 (CHEMBL2382850)	Time-dependent inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by LC-MS/MS analysis
50042941	19	ChEMBL_959659 (CHEMBL2382852)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis
50042941	20	ChEMBL_959660 (CHEMBL2382853)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50042941	21	ChEMBL_959662 (CHEMBL2382855)	Inhibition of CHK1 in human U2OS cells assessed as phosphorylation of H2AX after 2 hrs by FITC/propidium iodide staining-based immunofluorescence assay in presence of hydroxyurea
50042941	22	ChEMBL_959664 (CHEMBL2382857)	Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate after 2 hrs by scintillation proximity assay in presence of [gamma33P]-ATP
50042942	1	ChEMBL_959698 (CHEMBL2383018)	Inhibition of GST-fused human recombinant PI3Kbeta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presence of [gamma-33P]-ATP
50042942	2	ChEMBL_959699 (CHEMBL2383019)	Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presence of [gamma-33P]-ATP
50042942	3	ChEMBL_959693 (CHEMBL2383013)	Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phosphorylation at Ser473 after 2 hrs by ELISA
50042942	4	ChEMBL_959696 (CHEMBL2383016)	Inhibition of GST-fused human recombinant PI3Kgamma expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presence of [gamma-33P]-ATP
50042942	5	ChEMBL_959697 (CHEMBL2383017)	Inhibition of GST-fused human recombinant PI3Kdelta expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presence of [gamma-33P]-ATP
50042942	6	ChEMBL_959686 (CHEMBL2383006)	Inhibition of mTOR (unknown origin) assessed as inhibition of GFP-4E-BP1 phosphorylation after 30 mins by TR-FRET assay
50042943	1	ChEMBL_959850 (CHEMBL2383514)	Binding affinity to human MDM2
50042943	2	ChEMBL_959852 (CHEMBL2383516)	Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding to full length p53
50042943	3	ChEMBL_959853 (CHEMBL2383517)	Antagonist activity at human MDM2
50042944	1	ChEMBL_959892 (CHEMBL2383618)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrometric analysis
50042944	2	ChEMBL_959891 (CHEMBL2383617)	Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analysis
50042944	3	ChEMBL_959889 (CHEMBL2383615)	Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced current after 2 mins by two-electrode voltage clamp assay
50042944	4	ChEMBL_959893 (CHEMBL2383619)	Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced current after 2 mins by two-electrode voltage clamp assay
50042944	5	ChEMBL_959894 (CHEMBL2383620)	Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced current after 2 mins by two-electrode voltage clamp assay
50042945	1	ChEMBL_960027 (CHEMBL2384197)	Positive allosteric modulation of rat muscarinic M4 receptor
50042945	2	ChEMBL_960029 (CHEMBL2384199)	Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response
50042945	3	ChEMBL_960031 (CHEMBL2384201)	Positive allosteric modulation of rat muscarinic M5 receptor
50042946	1	ChEMBL_960044 (CHEMBL2384214)	Inhibition of integrin alpha5beta1 (unknown origin) binding to VCAM-1 in human THP1 cells after 30 mins by fibronectin mediated cell adhesion assay
50042946	2	ChEMBL_960045 (CHEMBL2384215)	Inhibition of integrin alphaVbeta1 (unknown origin) binding to mouse OPN-HIS after 30 mins by fibronectin mediated cell adhesion assay
50042946	3	ChEMBL_960046 (CHEMBL2384216)	Inhibition of integrin alphaLbeta2 (unknown origin) binding to VCAM-1 in human 8866 cells after 30 mins by fibronectin mediated cell adhesion assay
50042946	4	ChEMBL_960047 (CHEMBL2384217)	Inhibition of integrin alpha4beta7 (unknown origin) binding to MadCAM in human 8866 cells after 30 mins by fibronectin mediated cell adhesion assay
50042947	2	ChEMBL_960234 (CHEMBL2382727)	Binding affinity to GLP-1 receptor (unknown origin)
50042948	1	ChEMBL_958044 (CHEMBL2383799)	Inhibition of JAK3 TEL domain (unknown origin) transfected in mouse Ba/F3 cells
50042948	2	ChEMBL_958043 (CHEMBL2383798)	Inhibition of JAK2 TEL domain (unknown origin) transfected in mouse Ba/F3 cells
50042948	3	ChEMBL_958063 (CHEMBL2383933)	Competitive inhibition of JAK2 (unknown origin)
50042948	4	ChEMBL_958067 (CHEMBL2383937)	Inhibition of JAK3 (unknown origin) using biotinylated poly-EY peptide as substrate after 60 mins by HTRF assay
50042948	5	ChEMBL_958068 (CHEMBL2383938)	Inhibition of JAK2 (unknown origin) using biotinylated TYK2 peptide as substrate after 60 mins
50042949	1	ChEMBL_958766 (CHEMBL2384301)	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by Ellman's method
50042950	1	ChEMBL_958807 (CHEMBL2384470)	Inhibition of cathepsin-D (unknown origin) after 110 mins by fluorescence polarization assay
50042951	1	ChEMBL_959018 (CHEMBL2382831)	Inhibition of TrkA (unknown origin)
50042951	2	ChEMBL_959020 (CHEMBL2382833)	Inhibition of WNK3 (unknown origin)
50042951	3	ChEMBL_959021 (CHEMBL2382834)	Inhibition of SIK (unknown origin)
50042951	4	ChEMBL_959024 (CHEMBL2382837)	Inhibition of ACK1 (unknown origin)
50042951	5	ChEMBL_959023 (CHEMBL2382836)	Inhibition of CHK2 (unknown origin)
50042951	6	ChEMBL_959026 (CHEMBL2382839)	Inhibition of LIMK1 (unknown origin)
50042951	7	ChEMBL_959025 (CHEMBL2382838)	Inhibition of Ret (unknown origin)
50042951	8	ChEMBL_959027 (CHEMBL2382840)	Inhibition of aurora-B (unknown origin)
50042951	9	ChEMBL_958822 (CHEMBL2384610)	Inhibition of Fms (unknown origin)
50042951	10	ChEMBL_958824 (CHEMBL2384612)	Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3
50042951	11	ChEMBL_959028 (CHEMBL2382841)	Inhibition of aurora-A (unknown origin)
50042952	1	ChEMBL_959030 (CHEMBL2382963)	Inhibition of recombinant human Lp-PLA2 using [3H]PAF as substrate at 10 nM incubated for 5 mins prior to substrate addition measured after 10 mins by liquid scintillation counting analysis
50042953	1	ChEMBL_959306 (CHEMBL2383873)	Inhibition of MetAP2 (unknown origin) after 4 hrs
50042954	1	ChEMBL_959319 (CHEMBL2384006)	Activation of human recombinant muscle GYS1 expressed in insect sf9 cells using glycogen and UDP-glucose as substrates by spectrophotometry
50042955	1	ChEMBL_959585 (CHEMBL2382530)	Agonist activity at GPR40 in rat INS-1 cells assessed as glucose-stimulated insulin secretion
50042955	2	ChEMBL_959727 (CHEMBL2383047)	Agonist activity at human GPR40 transfected in CHO cells by calcium flux assay
50042956	1	ChEMBL_959732 (CHEMBL2383184)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50042957	1	ChEMBL_959964 (CHEMBL2383906)	Inhibition of CHK1 (unknown origin)
50042957	2	ChEMBL_959952 (CHEMBL2383894)	Inhibition of human CAMK4
50042957	3	ChEMBL_959954 (CHEMBL2383896)	Inhibition of human IRAK4
50042957	4	ChEMBL_959956 (CHEMBL2383898)	Inhibition of human TSSK2
50042957	5	ChEMBL_959955 (CHEMBL2383897)	Inhibition of human CSNK1D
50042957	6	ChEMBL_959958 (CHEMBL2383900)	Inhibition of human IGF1R
50042957	7	ChEMBL_959957 (CHEMBL2383899)	Inhibition of human JAK2
50042957	8	ChEMBL_959959 (CHEMBL2383901)	Inhibition of human ERK2
50042957	9	ChEMBL_959960 (CHEMBL2383902)	Inhibition of human MET
50042957	10	ChEMBL_959961 (CHEMBL2383903)	Inhibition of human AKT1
50042957	11	ChEMBL_959962 (CHEMBL2383904)	Inhibition of human IKKB
50042957	12	ChEMBL_959963 (CHEMBL2383905)	Inhibition of human recombinant MK2
50042958	1	ChEMBL_960347 (CHEMBL2383077)	Inhibition of VMAT2-mediated [3H]DA uptake in rat striatal synaptic vesicles by liquid scintillation spectroscopic analysis
50042958	2	ChEMBL_960349 (CHEMBL2383079)	Displacement of [3H]DTBZ from VMAT2 in Sprague-Dawley rat synaptic vesicle membranes after 30 mins by scintillation counting analysis
50042959	1	ChEMBL_958156 (CHEMBL2384248)	Binding affinity to factor-11a (unknown origin)
50042959	2	ChEMBL_958155 (CHEMBL2384247)	Binding affinity to factor-7a (unknown origin)
50042959	3	ChEMBL_958157 (CHEMBL2384249)	Binding affinity to factor-10a (unknown origin)
50042959	4	ChEMBL_958158 (CHEMBL2384250)	Binding affinity to P2Y12 receptor (unknown origin)
50042959	5	ChEMBL_958159 (CHEMBL2384251)	Binding affinity to P2Y2 receptor (unknown origin)
50042959	6	ChEMBL_958358 (CHEMBL2382617)	Binding affinity to human P2Y1 receptor
50042960	1	ChEMBL_958388 (CHEMBL2382770)	Inhibition of GST-fused Csk (unknown origin) expressed in Escherichia coli using polyE4Y as substrate after 20 mins by scintillation counting analysis in presence of [gamma-32P]-ATP
50042960	2	ChEMBL_958389 (CHEMBL2382771)	Inhibition of GST-fused Abl (unknown origin) expressed in Escherichia coli using CrkL as substrate after 20 mins by scintillation counting analysis in presence of [gamma-32P]-ATP
50042961	1	ChEMBL_959374 (CHEMBL2384165)	Inhibition of human recombinant DHFR
50042962	1	ChEMBL_959389 (CHEMBL2384180)	Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis presence of NADH
50042962	2	ChEMBL_959390 (CHEMBL2384181)	Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins by MS endpoint analysis
50042962	3	ChEMBL_959391 (CHEMBL2384303)	Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins by UV endpoint analysis
50042962	4	ChEMBL_959385 (CHEMBL2384176)	Inhibition of human recombinant carboxy-terminal his-tagged MDH-2 (20 to 338) expressed in Escherichia coli using oxaloacetic acid as substrate after 10 mins by UV endpoint analysis
50042962	5	ChEMBL_959386 (CHEMBL2384177)	Inhibition of human recombinant carboxy-terminal his-tagged MDH-1 (3 to 334) expressed in Escherichia coli using oxaloacetic acid as substrate after 10 mins by UV endpoint analysis
50042962	6	ChEMBL_959387 (CHEMBL2384178)	Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV endpoint analysis
50042962	7	ChEMBL_959388 (CHEMBL2384179)	Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis absence of NADH
50042963	1	ChEMBL_959596 (CHEMBL2382541)	Agonist activity at human GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay
50042963	2	ChEMBL_959595 (CHEMBL2382540)	Agonist activity at mouse GPR119 overexpressed in HEK293S cells assessed as change in cAMP level after 45 mins by HTRF assay
50042963	3	ChEMBL_959403 (CHEMBL2384315)	Inhibition of CYP2D6 (unknown origin)
50042963	4	ChEMBL_959405 (CHEMBL2384317)	Inhibition of CYP2C19 (unknown origin)
50042963	5	ChEMBL_959404 (CHEMBL2384316)	Inhibition of CYP2C9 (unknown origin)
50042963	6	ChEMBL_959587 (CHEMBL2382532)	Inhibition of CYP1A2 (unknown origin)
50042963	7	ChEMBL_959597 (CHEMBL2382542)	Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from mouse GPR119 overexpressed in baculovirus infected Sf21 cell membranes after 120 mins by scintillation counting analysis
50042963	8	ChEMBL_959598 (CHEMBL2382543)	Displacement of [3H]-N-(2-fluoro-4-methylsulfonyl-phenyl)-6-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-5-nitro-pyrimidin-4-amine from human GPR119 overexpressed in baculovirus infected Sf21 cell membranes after 120 mins by scintillation counting analysis
50042964	1	ChEMBL_959632 (CHEMBL2382702)	Inhibition of MMP-14 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay
50042964	2	ChEMBL_959635 (CHEMBL2382705)	Inhibition of MMP-7 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay
50042965	1	ChEMBL_959787 (CHEMBL2383359)	Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 120 secs by FLIPR analysis
50042966	1	ChEMBL_959816 (CHEMBL2383388)	Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA
50042966	2	ChEMBL_959799 (CHEMBL2383371)	Inhibition of human PLK1
50042966	3	ChEMBL_959809 (CHEMBL2383381)	Inhibition of human MPS1 expressed in Escherichia coli
50042966	4	ChEMBL_959813 (CHEMBL2383385)	Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs
50042966	5	ChEMBL_959817 (CHEMBL2383389)	Inhibition of MPS1 (unknown origin)
50042967	1	ChEMBL_959842 (CHEMBL2383506)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method
50042967	2	ChEMBL_959843 (CHEMBL2383507)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method
50042968	1	ChEMBL_959979 (CHEMBL2383921)	Inhibition of CYP2C9 (unknown origin) by fluorescence detection method
50042968	2	ChEMBL_959976 (CHEMBL2383918)	Inhibition of CYP2D6 (unknown origin) by fluorescence detection method
50042968	3	ChEMBL_959977 (CHEMBL2383919)	Inhibition of CYP2C19 (unknown origin) by fluorescence detection method
50042968	4	ChEMBL_959978 (CHEMBL2383920)	Inhibition of CYP1A2 (unknown origin) by fluorescence detection method
50042969	1	ChEMBL_960378 (CHEMBL2383240)	Inhibition of 5-carboxyfluorescein labeled phosphopeptide binding to STAT3 SH2 domain (unknown origin) incubated for 60 mins prior to 5-carboxyfluorescein labeled phosphopeptide addition measured after 30 mins by fluorescence polarization assay
50042970	1	ChEMBL_958172 (CHEMBL2384387)	Antagonist activity at rabbit CaV1.2alpha1C transfected in HEK293 cells by FLIPR assay
50042971	1	ChEMBL_958192 (CHEMBL2384407)	Inhibition of PDE11 (unknown origin)
50042972	1	ChEMBL_958219 (CHEMBL2384562)	Binding affinity to LXRalpha (unknown origin) by radioligand displacement assay
50042972	2	ChEMBL_958222 (CHEMBL2384565)	Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay
50042973	1	ChEMBL_958224 (CHEMBL2384567)	Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis
50042973	2	ChEMBL_958223 (CHEMBL2384566)	Binding affinity to CXCR7 (unknown origin)
50042974	1	ChEMBL_958415 (CHEMBL2382797)	Inhibition of GST-tagged full length human ERK5 transfected in HEK293 cells assessed as inhibition of AP1 transcriptional activity after 24 hrs by dual luciferase reporter gene assay
50042974	2	ChEMBL_958225 (CHEMBL2384568)	Inhibition of ERK5 phosphorylation in sorbitol-stimulated human HeLa cells
50042975	1	ChEMBL_958427 (CHEMBL2382935)	Inhibition of human recombinant caspase-7 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate addition measured after 10 mins by spectrophotometric analysis
50042975	2	ChEMBL_958429 (CHEMBL2382937)	Inhibition of human recombinant caspase-3 assessed as Ac-DEVD-AMC conversion to 7-amino-4-methylcoumarin incubated for 10 mins prior to substrate addition measured after 10 mins by spectrophotometric analysis
50042976	1	ChEMBL_958431 (CHEMBL2382939)	Inverse agonist activity at human GAL4-DBD-fused ERRalpha-LBD transfected in human HepG2 cells assessed as disruption of interaction with PGC-1alpha after 24 hrs by dual luciferase reporter gene assay
50042976	2	ChEMBL_958432 (CHEMBL2382940)	Inverse agonist activity at GAL4-fused ERRalpha (unknown origin) transfected in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50042976	3	ChEMBL_958456 (CHEMBL2383097)	Inhibition of human GAL4-DBD-fused ERRalpha-LBD transcriptional activity transfected in human 293FT cells assessed as disruption of interaction with PGC-1alpha after 24 hrs by dual luciferase reporter gene assay
50042977	1	ChEMBL_958460 (CHEMBL2383101)	Inhibition of recombinant human chymase using bis(succinoyl-L-alanyl-L-prolyl-L-phenylalanylamide) as substrate after 1 hr by fluorescence assay
50042977	2	ChEMBL_958459 (CHEMBL2383100)	Inhibition of human cathepsin G using bis(succinoyl-L-alanyl-L-prolyl-L-phenylalanylamide) as substrate after 1 hr by fluorescence assay
50042978	1	ChEMBL_958898 (CHEMBL2384806)	Inhibition of HDAC3 (unknown origin) after 60 mins by fluorescence assay
50042979	1	ChEMBL_958906 (CHEMBL2382484)	Inhibition of PARP6 (unknown origin)
50042979	2	ChEMBL_958907 (CHEMBL2382485)	Inhibition of PARP3 (unknown origin)
50042979	3	ChEMBL_958910 (CHEMBL2382488)	Inhibition of PARP2 (unknown origin)
50042979	4	ChEMBL_958909 (CHEMBL2382487)	Inhibition of PARP1 (unknown origin)
50042980	1	ChEMBL_959167 (CHEMBL2383450)	Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by HTRF assay
50042980	2	ChEMBL_958945 (CHEMBL2382523)	Agonist activity at human mGlu8 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by FLIPR assay
50042980	3	ChEMBL_958947 (CHEMBL2382644)	Antagonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 assessed as inhibition of forskolin-stimulated cAMP production after 20 mins by FLIPR assay
50042980	4	ChEMBL_958949 (CHEMBL2382646)	Agonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by FLIPR assay
50042980	5	ChEMBL_958951 (CHEMBL2382648)	Antagonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 assessed as inhibition of forskolin-stimulated cAMP production after 20 mins by HTRF assay
50042980	6	ChEMBL_959163 (CHEMBL2383344)	Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 after 20 mins by HTRF assay
50042980	7	ChEMBL_959165 (CHEMBL2383346)	Antagonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12 cells coexpressing EAAT1 assessed as inhibition of forskolin-stimulated cAMP production after 20 mins by HTRF assay
50042981	1	ChEMBL_959178 (CHEMBL2383461)	Inhibition of PSA (unknown origin) using Mu-SRKSQQY-AMC as substrate by fluorescence assay
50042981	2	ChEMBL_959179 (CHEMBL2383462)	Inhibition of PSA (unknown origin)
50042981	3	ChEMBL_959186 (CHEMBL2383469)	Inhibition of PSA (unknown origin) in female plasma
50042981	4	ChEMBL_959187 (CHEMBL2383470)	Inhibition of PSA (unknown origin) in RPMI in presence of 1% fetal bovine serum, 1% penicillin/streptomycin, 1% L-glutamine
50042981	5	ChEMBL_959188 (CHEMBL2383471)	Inhibition of PSA (unknown origin) in RPMI in presence of 1% fetal bovine serum
50042981	6	ChEMBL_959189 (CHEMBL2383472)	Inhibition of PSA (unknown origin) in RPMI
50042981	7	ChEMBL_959190 (CHEMBL2383473)	Inhibition of PSA (unknown origin) in 50 mM TRIS.HCL and 100 mM NaCl buffer at pH 7.8
50042981	8	ChEMBL_959198 (CHEMBL2383481)	Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay
50042982	1	ChEMBL_959447 (CHEMBL2384485)	Inhibition of PARP1 (unknown origin) using histone as substrate after 1 hr by luminescence assay
50042982	2	ChEMBL_959446 (CHEMBL2384484)	Inhibition of PARP2 (unknown origin) using histone as substrate after 1 hr by luminescence assay
50042982	3	ChEMBL_959426 (CHEMBL2384338)	Inhibition of PARP6 (unknown origin) using histone as substrate after 1 hr by luminescence assay
50042982	4	ChEMBL_959425 (CHEMBL2384337)	Inhibition of PARP3 (unknown origin) using histone as substrate after 1 hr by luminescence assay
50042983	1	ChEMBL_960570 (CHEMBL2389859)	Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition
50042983	2	ChEMBL_960574 (CHEMBL2389863)	Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition
50042984	1	ChEMBL_960925 (CHEMBL2388543)	Agonist activity at human FFA1 receptor expressed in CHO cell membranes after 4 hrs by aequorin bioluminescence assay
50042985	1	ChEMBL_960926 (CHEMBL2388544)	Inhibition of MMP7 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay
50042985	2	ChEMBL_960929 (CHEMBL2388547)	Inhibition of MMP12 (unknown origin)-mediated Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorimetric assay
50042986	1	ChEMBL_960944 (CHEMBL2388704)	Inhibition of human DHODH
50002441	17	ChEMBL_1764036 (CHEMBL4199283)	Displacement of [3H]lysergic acid from 5-HT7 receptor (unknown origin)
50002442	1	ChEMBL_1764042 (CHEMBL4199289)	Inhibition of trypsin (unknown origin) using Chromozyme-TRY substrate incubated for 3 mins by spectrophotometry
50002442	2	ChEMBL_1764046 (CHEMBL4199293)	Inhibition of human factor 11a assessed as reduction in para-nitroanilide releasee using pyroGlu-Pro-Arg-pNA.HCl substrate by by chromogenic assay
50002442	3	ChEMBL_1764041 (CHEMBL4199288)	Inhibition of human lung tryptase using Z-glypro-arg-AMC incubated for 3 mins by spectrophotometry
50002442	4	ChEMBL_1764040 (CHEMBL4199287)	Inhibition of human factor 11a using S-2366 substrate incubated for 3 mins by spectrophotometry
50002442	5	ChEMBL_1764047 (CHEMBL4199294)	Inhibition of human factor 11a incubated for 60 mins by Cheng-Prusoff equation analysis
50002443	1	ChEMBL_1764057 (CHEMBL4199304)	Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate
50002443	2	ChEMBL_1764064 (CHEMBL4199311)	Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using L-dopa as substrate
50002443	3	ChEMBL_1764052 (CHEMBL4199299)	Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs
50002443	4	ChEMBL_1764053 (CHEMBL4199300)	Inhibition of recombinant human MIF (Pro2 to Ala115 residues) expressed in Escherichia coli using dopachrome methyl ester as substrate preincubated with protein followed by substrate addition
50002443	5	ChEMBL_1764049 (CHEMBL4199296)	Inhibition of recombinant MIF (unknown origin) tautomerase activity using dopachrome methyl ester as substrate measured for 2 to 20 secs by spectrophotometric analysis
50002443	6	ChEMBL_1764054 (CHEMBL4199301)	Inhibition of recombinant human His-tagged MIF tautomerization expressed in Escherichia coli BL21 (DE3) using D-dopachrome as substrate after 10 mins by spectrophotometric analysis
50002443	7	ChEMBL_1764055 (CHEMBL4199302)	Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition
50002443	8	ChEMBL_1764058 (CHEMBL4199305)	Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed by substrate addition measured for 3 mins
50042988	1	ChEMBL_961304 (CHEMBL2390480)	Activation of recombinant AMPK alpha2beta1gamma1 (unknown origin) after 2 hrs by scintillation proximity assay
50042988	2	ChEMBL_961305 (CHEMBL2390481)	Activation of recombinant AMPK alpha1 (1 to 394) (unknown origin) after 2 hrs by scintillation proximity assay
50042988	3	ChEMBL_961308 (CHEMBL2390484)	Activation of human AMPK alpha1 (1 to 394) expressed in African green monkey COS7 cells
50042988	4	ChEMBL_961297 (CHEMBL2390473)	Activation of human AMPK alpha2 (1 to 398) expressed in African green monkey COS7 cells
50042989	1	ChEMBL_961313 (CHEMBL2390489)	Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 using alpha-ketoglutarate as substrate incubated for 5 mins prior to substrate addition measured every 30 secs
50042990	1	ChEMBL_961650 (CHEMBL2389151)	Inhibition of CYP2D6 (unknown origin)
50042990	2	ChEMBL_961651 (CHEMBL2389152)	Inhibition of CYP2C9 (unknown origin)
50042990	3	ChEMBL_961653 (CHEMBL2389154)	Inhibition of CYP1A2 (unknown origin)
50042991	1	ChEMBL_961694 (CHEMBL2389364)	Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay
50042992	1	ChEMBL_960590 (CHEMBL2389879)	Agonist activity at C-terminal yellow fluorescent protein-fused human FFA4 receptor transfected in HEK293 cells after 5 mins by BRET assay
50042992	2	ChEMBL_961969 (CHEMBL2390710)	Agonist activity at C-terminal yellow fluorescent protein-fused rat FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay
50042992	3	ChEMBL_961970 (CHEMBL2390711)	Agonist activity at mouse FFA1 receptor transfected in human T-REX-293 cells measured for 74 secs by calcium mobilization assay
50042992	4	ChEMBL_960587 (CHEMBL2389876)	Agonist activity at C-terminal yellow fluorescent protein-fused human FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay in presence of bovine serum albumin
50042992	5	ChEMBL_961971 (CHEMBL2390712)	Agonist activity at C-terminal yellow fluorescent protein-fused human FFA1 receptor transfected in HEK293 cells after 5 mins by BRET assay
50042992	6	ChEMBL_960591 (CHEMBL2389880)	Agonist activity at human FFA1 receptor transfected in human 1321N1 cells by calcium mobilization assay
50042993	1	ChEMBL_960597 (CHEMBL2389886)	Inhibition of wild type human CFTR chloride conductance expressed in forskolin-stimulated rat FRT cells by short-circuit current analysis in presence of transepithelial chloride gradient
50042994	1	ChEMBL_960632 (CHEMBL2390085)	Inhibition of human NEU2 using 4MU-NeuAc as substrate after 15 to 30 mins by fluorimetric analysis
50042994	2	ChEMBL_960633 (CHEMBL2390086)	Inhibition of human NEU4 using GM3 as substrate preincubated for 30 mins before substrate addition measured after 1 hr by fluorescence plate reader analysis
50042994	3	ChEMBL_960634 (CHEMBL2390087)	Inhibition of human NEU4 using 4-MU-NANA as substrate measured every 30 seconds for 60 mins by fluorescence plate reader analysis
50042994	4	ChEMBL_960637 (CHEMBL2390090)	Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate reader analysis
50042994	5	ChEMBL_960636 (CHEMBL2390089)	Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate reader analysis
50042994	6	ChEMBL_960638 (CHEMBL2390091)	Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate reader analysis
50042994	7	ChEMBL_960639 (CHEMBL2390092)	Inhibition of human NEU1 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate reader analysis
50042995	1	ChEMBL_960967 (CHEMBL2388883)	Binding affinity to FAAH in human cortical homogenates
50042995	2	ChEMBL_960969 (CHEMBL2388885)	Binding affinity to FAAH in rat cortical homogenates
50042995	3	ChEMBL_960984 (CHEMBL2388900)	Inhibition of rat FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin preincubated for 15 mins prior to substrate addition measured after 1 to 3 hrs by fluorescence assay
50042995	4	ChEMBL_960986 (CHEMBL2388902)	Inhibition of human FAAH expressed in CHO cell lysates assessed as arachidonyl-7-amino-4-methylcoumarin amide hydrolysis to 7-amino 4-methyl coumarin preincubated for 15 mins prior to substrate addition measured after 1 to 3 hrs by fluorescence assay
50042996	1	ChEMBL_960987 (CHEMBL2388903)	Inhibition of PAK3-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay
50042996	2	ChEMBL_960988 (CHEMBL2388904)	Inhibition of PAK2-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay
50042996	3	ChEMBL_960989 (CHEMBL2388905)	Inhibition of PAK1-mediated MEK1 phosphorylation at Ser298 in human EBC1 cells after 2 hrs by HTRF assay
50042996	4	ChEMBL_960990 (CHEMBL2388906)	Inhibition of human recombinant GST-tagged PAK1 kinase domain-mediated 5FAM-RRRLSFAEPG phosphorylation expressed in Sf9 cells preincubated for 10 mins prior to substrate addition measured after 30 mins by microfluidic mobility shift assay
50042997	1	ChEMBL_961000 (CHEMBL2388916)	Binding affinity to histamine H3 receptor in rat cortical membranes
50042998	1	ChEMBL_961004 (CHEMBL2388920)	Inhibition of recombinant DYRK1B (unknown origin) after 120 mins in presence of [33P]-ATP
50042998	2	ChEMBL_961005 (CHEMBL2388921)	Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP
50042999	1	ChEMBL_961342 (CHEMBL2390669)	Inhibition of tau protein aggregation (unknown origin)
50042999	2	ChEMBL_961353 (CHEMBL2390680)	Inhibition of tau protein aggregation (unknown origin) by Western blot analysis
50042999	3	ChEMBL_961354 (CHEMBL2390681)	Inhibition of tau protein aggregation (unknown origin) at 5:1 compound to protein concentration by Western blot analysis
50042999	4	ChEMBL_961356 (CHEMBL2390683)	Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin
50043000	1	ChEMBL_961364 (CHEMBL2390691)	Competitive inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using CDC25C and ATP as substrate after 2 hrs
50043001	1	ChEMBL_961388 (CHEMBL2387793)	Non-competitive inhibition of electric eel AChE using acetylcholine iodide as substrate by Lineweaver-Burk plot analysis
50043001	2	ChEMBL_961726 (CHEMBL2389544)	Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellman method
50043002	1	ChEMBL_961757 (CHEMBL2389575)	Inhibition of PDGFR (unknown origin)
50043003	1	ChEMBL_960665 (CHEMBL2390259)	Inhibition of human recombinant cytoplasmic lysyl-tRNA synthetase
50043004	1	ChEMBL_961035 (CHEMBL2389133)	Inhibition of JMJD2A tudor domain (unknown origin) using histone H4 peptide trimethylated on lysine 20 as substrate
50043005	1	ChEMBL_961065 (CHEMBL2389496)	Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50043005	2	ChEMBL_961066 (CHEMBL2389497)	Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50043006	1	ChEMBL_961400 (CHEMBL2387805)	Inhibition of HDAC3 (unknown origin)
50043007	1	ChEMBL_962065 (CHEMBL2388033)	Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA
50043007	2	ChEMBL_962066 (CHEMBL2388034)	Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 mins prior to substrate addition measured after 90 mins by fluorescence assay
50043008	1	ChEMBL_960712 (CHEMBL2390448)	Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change
50043008	2	ChEMBL_960737 (CHEMBL2390623)	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins followed by PGD2 addition measured after 4 mins by side scatter analysis in presence of human serum albumin
50043008	3	ChEMBL_960736 (CHEMBL2390622)	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins followed by PGD2 addition measured after 4 mins by side scatter analysis
50043008	4	ChEMBL_960738 (CHEMBL2390624)	Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preincubated for 1 hr followed by 50 nM PGD2 and 0.1 nM [35S]-GTPgammaS addition measured after 2 hrs by liquid scintillation counting analysis
50043009	1	ChEMBL_960749 (CHEMBL2390635)	Antagonist activity at OX2 receptor (unknown origin)
50043009	2	ChEMBL_960747 (CHEMBL2390633)	Antagonist activity at OX1 receptor (unknown origin)
50043010	1	ChEMBL_961459 (CHEMBL2388171)	Binding affinity to recombinant human tau (441 amino acid residues) aggregates expressed in Escherichia coli assessed as apparent dissociation constant after 30 mins by fluorescence spectroscopic analysis
50043011	1	ChEMBL_961826 (CHEMBL2389966)	Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured after 30 mins
50043011	2	ChEMBL_961499 (CHEMBL2388357)	Inhibition of TSSK2 (unknown origin)
50043011	3	ChEMBL_961500 (CHEMBL2388358)	Inhibition of CHK1 (unknown origin)
50043011	4	ChEMBL_961502 (CHEMBL2388360)	Inhibition of ERK2 (unknown origin)
50043011	5	ChEMBL_961501 (CHEMBL2388359)	Inhibition of MST2 (unknown origin)
50043011	6	ChEMBL_961504 (CHEMBL2388362)	Inhibition of IGF1R (unknown origin)
50043011	7	ChEMBL_961507 (CHEMBL2388365)	Inhibition of MET (unknown origin)
50043011	8	ChEMBL_961506 (CHEMBL2388364)	Inhibition of CAMK4 (unknown origin)
50043011	9	ChEMBL_961509 (CHEMBL2388367)	Inhibition of JAK2 (unknown origin)
50043011	10	ChEMBL_961508 (CHEMBL2388366)	Inhibition of ROCK2 (unknown origin)
50043011	11	ChEMBL_961814 (CHEMBL2389954)	Inhibition of IKKB (unknown origin)
50043011	12	ChEMBL_961510 (CHEMBL2388368)	Inhibition of AKT1 (unknown origin)
50043011	13	ChEMBL_961816 (CHEMBL2389956)	Inhibition of IRAK4 (unknown origin)
50043011	14	ChEMBL_961817 (CHEMBL2389957)	Inhibition of NEK2 (unknown origin)
50043011	15	ChEMBL_961819 (CHEMBL2389959)	Inhibition of CSNK1D (unknown origin)
50043011	16	ChEMBL_961818 (CHEMBL2389958)	Inhibition of PLK3 (unknown origin)
50043011	17	ChEMBL_961821 (CHEMBL2389961)	Inhibition of FLT3 (unknown origin)
50043011	18	ChEMBL_961825 (CHEMBL2389965)	Inhibition of MK2 in human THP1 cells assessed as phosphorylation of HSP27 at serine78 after 60 mins
50043012	1	ChEMBL_961845 (CHEMBL2390137)	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by Ellman's method
50043012	2	ChEMBL_961846 (CHEMBL2390138)	Inhibition of electric eel AChE using acetylcholine iodide as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by Ellman's method
50043013	1	ChEMBL_961862 (CHEMBL2390154)	Inhibition of human recombinant HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys(-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50043014	1	ChEMBL_962122 (CHEMBL2388391)	Inhibition of human TRPV6 transfected in HEK293 cells assessed as inhibition of Cd2+ influx after 5 mins by FLIPR assay
50043014	2	ChEMBL_962123 (CHEMBL2388392)	Inhibition of human TRPV6 transfected in HEK293 cells assessed as inhibition of Ca2+ influx after 5 mins by FLIPR assay
50043014	3	ChEMBL_961868 (CHEMBL2390160)	Inhibition of human TRPV6 transfected in HEK293 cells
50043015	1	ChEMBL_962459 (CHEMBL2390352)	Antagonist activity at human androgen receptor LBD expressed in human MDA-kb2 cells by luciferase reporter gene assay
50043016	1	ChEMBL_962622 (CHEMBL2388051)	Inhibition of human BCR-ABL1 expressed in mouse BA/F3 cells assessed as cell growth inhibition by ATP-depletion assay
50043016	2	ChEMBL_962621 (CHEMBL2388050)	Inhibition of human BCR-ABL1 autophosphorylation expressed in mouse BA/F3 cells by ELISA
50043016	3	ChEMBL_962619 (CHEMBL2388048)	Inhibition of human BCR-ABL1 (unknown origin) expressed in mouse 32D cells
50043017	1	ChEMBL_962764 (CHEMBL2388819)	Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis
50043018	1	ChEMBL_963008 (CHEMBL2390016)	Inhibition of recombinant GST tagged Aurora A kinase (123 to 401) (unknown origin) transfected in insect sf9 cells after 90 mins by wallac counting analysis
50043018	2	ChEMBL_963010 (CHEMBL2390018)	Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis
50043019	1	ChEMBL_963160 (CHEMBL2390802)	Activation of PKM2 in human Huh7 cells assessed as production of pyruvate and ATP by fluorescence assay
50043020	1	ChEMBL_960443 (CHEMBL2389094)	Displacement of [3H] N/OFQ from human nociceptin receptor transfected in CHO cells
50043020	2	ChEMBL_960440 (CHEMBL2389091)	Agonist activity at human nociceptin receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation counting analysis
50043021	1	ChEMBL_960801 (CHEMBL2388109)	Inhibition of PIM1 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP
50043021	2	ChEMBL_960798 (CHEMBL2387967)	Inhibition of PIM3 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP
50043021	3	ChEMBL_960800 (CHEMBL2387969)	Inhibition of PIM2 (unknown origin) using FAM-pimtide as substrate after 90 mins by spectrophotometry in presence of ATP
50043022	1	ChEMBL_961179 (CHEMBL2389915)	Inhibition of LTC4S (unknown origin)
50043022	2	ChEMBL_961178 (CHEMBL2389914)	Inhibition of thromboxane synthase (unknown origin)
50043022	3	ChEMBL_961183 (CHEMBL2389919)	Inhibition of mPGES1-mediated PGE2 release in IL1alpha-stimulated human A549 cells
50043022	4	ChEMBL_961189 (CHEMBL2389925)	Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043022	5	ChEMBL_961190 (CHEMBL2389926)	Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043022	6	ChEMBL_961191 (CHEMBL2389927)	Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043022	7	ChEMBL_961192 (CHEMBL2389928)	Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate preincubated for 30 mins prior to substrate addition measured after 60 mins by HTRF assay
50043023	1	ChEMBL_961193 (CHEMBL2389929)	Inhibition of wild type BRAF (unknown origin)
50043024	1	ChEMBL_961544 (CHEMBL2388575)	Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50043025	1	ChEMBL_961885 (CHEMBL2390327)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50043025	2	ChEMBL_961876 (CHEMBL2390318)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50043025	3	ChEMBL_961566 (CHEMBL2388736)	Inhibition of wild type GST-tagged c-Met kinase domain (1058 to 1365) (unknown origin) expressed in Sf9 cells by HTRF assay
50043025	4	ChEMBL_961877 (CHEMBL2390319)	Inhibition of Flt-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50043025	5	ChEMBL_961565 (CHEMBL2388735)	Inhibition of c-Met (unknown origin)
50043026	1	ChEMBL_961900 (CHEMBL2390342)	Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay
50043027	1	ChEMBL_961931 (CHEMBL2390522)	Inhibition of ALK6 (unknown origin)
50043027	2	ChEMBL_961934 (CHEMBL2390525)	Inhibition of ALK3 (unknown origin)
50043027	3	ChEMBL_961936 (CHEMBL2390527)	Inhibition of BMP4 in mouse C2C12BRA cells after 14 hrs by luciferase reporter gene assay
50043027	4	ChEMBL_961928 (CHEMBL2390519)	Inhibition of AMPK (unknown origin)
50043027	5	ChEMBL_961930 (CHEMBL2390521)	Inhibition of ALK5 (unknown origin)
50043027	6	ChEMBL_961929 (CHEMBL2390520)	Inhibition of BMPR2 (unknown origin)
50043027	7	ChEMBL_961933 (CHEMBL2390524)	Inhibition of ALK2 (unknown origin)
50043027	8	ChEMBL_961935 (CHEMBL2390526)	Inhibition of ALK1 (unknown origin)
50043027	9	ChEMBL_961927 (CHEMBL2390518)	Inhibition of TGFBR2 (unknown origin)
50043027	10	ChEMBL_961932 (CHEMBL2390523)	Inhibition of ALK4 (unknown origin)
50043028	1	ChEMBL_962204 (CHEMBL2388792)	Inhibition of human 20S proteasome post-glutamyl peptide hydrolyzing activity using Z-Leu-Leu-Glu-AMC as substrate measured over 10 mins by fluorescence assay
50043028	2	ChEMBL_962205 (CHEMBL2388793)	Inhibition of human 20S proteasome chymotrypsin like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured over 10 mins by fluorescence assay
50043029	1	ChEMBL_962306 (CHEMBL2389407)	Inhibition of human recombinant GST-tagged PTP1B using para-nitrophenyl phosphate as substrate after 2 mins
50043030	1	ChEMBL_962417 (CHEMBL2390004)	Transactivation of FXR (unknown origin) expressed in human HepG2 cells co-expressing RXR assessed as beta-galactosidase activity after 18 hrs by luciferase reporter gene assay
50043030	2	ChEMBL_962425 (CHEMBL2390171)	Antagonist activity at FXR (unknown origin) expressed in human HepG2 cells co-expressing RXR assessed as inhibition of CDCA-induced transactivation after 18 hrs by luciferase reporter gene assay
50043031	1	ChEMBL_962508 (CHEMBL2390550)	Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP
50043031	2	ChEMBL_962504 (CHEMBL2390546)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for 30 mins in presence of whole blood
50043031	3	ChEMBL_962506 (CHEMBL2390548)	Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT5 phosphorylation incubated for 20 mins followed by IL6 challenge for 30 mins
50043031	4	ChEMBL_962507 (CHEMBL2390549)	Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for 30 mins
50043031	5	ChEMBL_962444 (CHEMBL2390190)	Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysis
50043031	6	ChEMBL_962445 (CHEMBL2390191)	Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysis
50043031	7	ChEMBL_962467 (CHEMBL2390360)	Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysis
50043031	8	ChEMBL_962468 (CHEMBL2390361)	Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysis
50043031	9	ChEMBL_962473 (CHEMBL2390366)	Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP
50043031	10	ChEMBL_962509 (CHEMBL2390551)	Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP
50043032	1	ChEMBL_962514 (CHEMBL2390556)	Binding affinity to CD81 (unknown origin)
50002443	9	ChEMBL_1764059 (CHEMBL4199306)	Inhibition of recombinant human full length MIF expressed in Escherichia coli BL21(DE3) after 1 hr
50002443	10	ChEMBL_1764061 (CHEMBL4199308)	Inhibition recombinant human biotin-labeled MIF binding to recombinant human soluble CD47 receptor (73 to 232 residues) preincubated for 30 mins
50002443	11	ChEMBL_1764063 (CHEMBL4199310)	Inhibition of recombinant human MIF using HPP as substrate
50002443	12	ChEMBL_1764065 (CHEMBL4199312)	Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate
50002443	13	ChEMBL_1764067 (CHEMBL4199314)	Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 20 mins followed by substrate addition measured for 175 secs
50043033	3	ChEMBL_962650 (CHEMBL2388228)	Inhibition of mTOR (unknown origin)
50043033	5	ChEMBL_962652 (CHEMBL2388230)	Inhibition of PI3KC2alpha (unknown origin)
50043033	7	ChEMBL_962656 (CHEMBL2388234)	Inhibition of PI3Kgamma (unknown origin)
50043033	8	ChEMBL_962655 (CHEMBL2388233)	Inhibition of PI3Kdelta (unknown origin)
50043033	9	ChEMBL_962658 (CHEMBL2388236)	Inhibition of PI3Kbeta (unknown origin)
50043033	10	ChEMBL_962662 (CHEMBL2388240)	Inhibition of human VPS34
50043033	11	ChEMBL_962678 (CHEMBL2388256)	Inhibition of PI3KC2beta (unknown origin)
50043034	1	ChEMBL_962701 (CHEMBL2388428)	Inhibition of human dihydrofolate reductase by spectrophotometric analysis
50043034	2	ChEMBL_962697 (CHEMBL2388424)	Inhibition of human recombinant His-tagged thymidylate synthase assessed as N5,N10-methylenetetrahydrofolate oxidation to dihydrofolate after 20 mins by UV spectrophotometric analysis
50043035	1	ChEMBL_962881 (CHEMBL2389429)	Inhibition of JAK1 (unknown origin)
50043035	2	ChEMBL_962883 (CHEMBL2389431)	Inhibition of human JAK3 (781-1124) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50043035	3	ChEMBL_962884 (CHEMBL2389432)	Inhibition of human JAK2 (828-1132) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50043035	4	ChEMBL_962885 (CHEMBL2389433)	Inhibition of human JAK1 (837-1142) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay
50043035	7	ChEMBL_962891 (CHEMBL2389439)	Inhibition of human GST-fused JAK3 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 30 mins by ELISA
50043035	8	ChEMBL_962892 (CHEMBL2389440)	Inhibition of human GST-fused JAK2 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 30 mins by ELISA
50043035	9	ChEMBL_963017 (CHEMBL2390025)	Inhibition of human GST-fused JAK1 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 30 mins by ELISA
50043035	10	ChEMBL_962878 (CHEMBL2389265)	Inhibition of JAK3 (unknown origin)
50043035	11	ChEMBL_962880 (CHEMBL2389428)	Inhibition of JAK2 (unknown origin)
50043036	1	ChEMBL_963021 (CHEMBL2390029)	Binding affinity to dopamine D2 receptor (unknown origin)
50043036	2	ChEMBL_963063 (CHEMBL2390224)	Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis
50043036	3	ChEMBL_963056 (CHEMBL2390217)	Antagonist activity at dopamine D2 receptor (unknown origin) expressed in CHOK1 cells coexpressing Galpha15 assessed as inhibition of agonist-induced response incubated for 60 mins in incubator followed by 15 mins at room temperature by FLIPR assay
50043036	4	ChEMBL_963058 (CHEMBL2390219)	Agonist activity at dopamine D2 receptor (unknown origin) expressed in CHOK1 cells coexpressing Galpha15 by FLIPR assay
50043037	1	ChEMBL_963360 (CHEMBL2388857)	Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis
50043037	2	ChEMBL_963356 (CHEMBL2388853)	Inhibition of mouse ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis
50043037	3	ChEMBL_963355 (CHEMBL2388852)	Inhibition of rat ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysis
50043038	1	ChEMBL_963378 (CHEMBL2388875)	Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-THC-induced beta-arrestin recruitment incubated 60 mins prior to delta9-THC addition by beta-arrestin translocation assay
50043038	2	ChEMBL_963376 (CHEMBL2388873)	Agonist activity at human GPR18 transfected in CHO cells after 90 mins by beta-arrestin translocation assay
50043038	3	ChEMBL_963381 (CHEMBL2388878)	Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibition of LPI-induced beta-arrestin recruitment incubated 60 mins prior to LPI addition by beta-arrestin translocation assay
50043038	4	ChEMBL_963379 (CHEMBL2388876)	Agonist activity at human GPR55 transfected in CHO cells after 90 mins by beta-arrestin translocation assay relative to LPI
50043039	1	ChEMBL_960514 (CHEMBL2389489)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay
50043039	2	ChEMBL_960513 (CHEMBL2389488)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH 6 to 6.3-induced activity by FLIPR assay
50043039	3	ChEMBL_960511 (CHEMBL2389486)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR assay
50043039	4	ChEMBL_960512 (CHEMBL2389487)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of heat 45 degC-induced activity after 5 mins by FLIPR assay
50043040	1	ChEMBL_961221 (CHEMBL2390113)	Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins by fluorometric analysis
50043041	1	ChEMBL_961232 (CHEMBL2390124)	Negative allosteric modulation of mGlu3 receptor (unknown origin)
50043041	2	ChEMBL_961233 (CHEMBL2390125)	Negative allosteric modulation of mGlu2 receptor (unknown origin)
50043041	3	ChEMBL_961235 (CHEMBL2390127)	Negative allosteric modulation of human mGlu2 receptor assessed as Ca2+ flux by FLIPR assay
50043041	4	ChEMBL_961237 (CHEMBL2390129)	Negative allosteric modulation of human mGlu3 receptor assessed as Ca2+ flux by FLIPR assay
50043041	5	ChEMBL_961247 (CHEMBL2390284)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins prior to NADPH addition measured after 8 mins by LC/MS/MS analysis
50043041	6	ChEMBL_961248 (CHEMBL2390285)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins prior to NADPH addition measured after 8 mins by LC/MS/MS analysis
50043041	7	ChEMBL_961249 (CHEMBL2390286)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 mins prior to NADPH addition measured after 8 mins by LC/MS/MS analysis
50043042	1	ChEMBL_961624 (CHEMBL2388941)	Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis
50043042	2	ChEMBL_961622 (CHEMBL2388939)	Antagonist activity at human CRTH2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux after 5 mins by FLIPR assay
50043042	3	ChEMBL_961593 (CHEMBL2388763)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation by LC-MS/MS analysis
50043042	4	ChEMBL_961625 (CHEMBL2388942)	Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis in presence of human serum albumin
50043042	5	ChEMBL_961619 (CHEMBL2388936)	Displacement of [3H]PGD2 from recombinant human prostanoid DP1 receptor expressed in CHO cells after 90 mins by scintillation counting analysis
50043042	6	ChEMBL_961620 (CHEMBL2388937)	Antagonist activity at CRTH2 receptor in human eosinophils assessed as inhibition of PGD2-induced cell shape change incubated for 1 hr prior to PGD2 induction measured after 5 mins by FACS flow cytometric analysis in presence of human plasma
50043042	7	ChEMBL_961621 (CHEMBL2388938)	Antagonist activity at human CRTH2 receptor expressed in HEK293 cells assessed as inhibition of PGD2/forskolin-induced intracellular cAMP production after 20 mins by ELISA
50043042	8	ChEMBL_961592 (CHEMBL2388762)	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC-MS/MS analysis
50043042	9	ChEMBL_961612 (CHEMBL2388929)	Antagonist activity at human prostanoid TP2 receptor expressed in HEK293 cells assessed as inhibition of calcium flux after 30 to 40 mins by FLIPR assay
50043043	1	ChEMBL_962713 (CHEMBL2388440)	Inhibition of human recombinant placental aromatase
50043043	2	ChEMBL_962577 (CHEMBL2387862)	Inhibition of human recombinant microsomal aromatase using 7-methoxy-4-trifluoromethylcoumarin as substrate by Lineweaver-Burk plot analysis
50043043	3	ChEMBL_962712 (CHEMBL2388439)	Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin preincubated for 10 mins measured after 30 mins by fluorescence assay
50043044	1	ChEMBL_963102 (CHEMBL2390581)	Agonist activity at rat brain P2Y1R transfected in HEK293 cells assessed as induction of intracellular calcium mobilization by fluorescence assay
50043044	2	ChEMBL_963120 (CHEMBL2390599)	Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay
50043044	3	ChEMBL_963233 (CHEMBL2388104)	Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay
50043045	1	ChEMBL_964506 (CHEMBL2393651)	Inhibition of human recombinant AURKA by FRET assay
50043045	2	ChEMBL_964507 (CHEMBL2393652)	Inhibition of human recombinant CK1epsilon by FRET assay
50043045	3	ChEMBL_964508 (CHEMBL2393653)	Inhibition of human recombinant Cdk5/p35 by FRET assay
50043046	1	ChEMBL_964546 (CHEMBL2393934)	Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 synthesis by ELISA
50043046	2	ChEMBL_964545 (CHEMBL2393812)	Inhibition of mPGES-1-mediated PGE2 production in LPS-stimulated healthy human whole blood after 20 to 24 hrs by ELISA
50043046	3	ChEMBL_964534 (CHEMBL2393801)	Inhibition of mPGES-1 in human 1483 cells assessed as eicosanoid level incubated for 15 mins by LC/MS/MS analysis
50043046	4	ChEMBL_964530 (CHEMBL2393797)	Inhibition of mPGES-1 in human fetal fibroblast cells assessed as PGF2alpha level after 50 mins by ELISA
50043046	5	ChEMBL_964531 (CHEMBL2393798)	Inhibition of 5-LOX in human 1483 cells assessed as eicosanoid level incubated for 15 mins by LC/MS/MS analysis
50043046	6	ChEMBL_964532 (CHEMBL2393799)	Inhibition of TXAS in human 1483 cells assessed as eicosanoid level incubated for 15 mins by LC/MS/MS analysis
50043046	7	ChEMBL_964533 (CHEMBL2393800)	Inhibition of PGDS in human 1483 cells assessed as eicosanoid level incubated for 15 mins by LC/MS/MS analysis
50043047	1	ChEMBL_964687 (CHEMBL2394479)	Binding affinity to human OT receptor
50043047	2	ChEMBL_964690 (CHEMBL2394482)	Inhibition of rat uterus OT receptor
50043048	1	ChEMBL_964732 (CHEMBL2394665)	Antagonist activity at VLA-4 receptor in human U937 cells assessed as inhibition of VCAM-1 binding by MTT assay
50043049	1	ChEMBL_964919 (CHEMBL2395616)	Inhibition of CYP2D6 (unknown origin)
50043049	2	ChEMBL_964921 (CHEMBL2395618)	Inhibition of CYP2C9 (unknown origin)
50043049	3	ChEMBL_965046 (CHEMBL2396208)	Antagonist activity at human TP2 receptor assessed as inhibition of U46619-induced Ca2+ mobilization by FLIPR assay
50043049	4	ChEMBL_964925 (CHEMBL2395622)	Inhibition of PGD2 binding to human DP1 receptor
50043049	5	ChEMBL_964926 (CHEMBL2395623)	Antagonist activity against CRTh2 receptor in human eosinophils assessed as cell shape change
50043049	6	ChEMBL_964928 (CHEMBL2395625)	Displacement of [3H]PGD2 from human CRTh2 receptor in presence of human serum albumin
50043049	7	ChEMBL_964927 (CHEMBL2395624)	Displacement of [3H]PGD2 from human CRTh2 receptor
50043049	8	ChEMBL_965045 (CHEMBL2396207)	Antagonist activity at PGD2-induced human CRTh2 receptor activation expressed in HEK293 cells assessed as intracellular Ca2+ liberation by FLIPR assay
50043050	1	ChEMBL_965057 (CHEMBL2396369)	Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay
50043051	1	ChEMBL_965125 (CHEMBL2393667)	Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins
50043052	1	ChEMBL_965304 (CHEMBL2394497)	Displacement of [3H]Substance P from human recombinant substance P receptor expressed in CHO cells after 90 mins
50043052	2	ChEMBL_965431 (CHEMBL2395077)	Displacement of [3H]Haloperidol from sigma 1 receptor in human jurkat cells after 4 hrs
50043052	3	ChEMBL_965430 (CHEMBL2395076)	Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEK293 cells after 60 mins
50043052	4	ChEMBL_965439 (CHEMBL2395085)	Displacement of [3H]PAF from platelet activating factor receptor in human platelets after 3 hrs
50043052	5	ChEMBL_965446 (CHEMBL2395092)	Displacement of [125I]Peptide YY from neuropeptide Y receptor type 2 in human KAN-TS cells after 2 hrs
50043052	6	ChEMBL_965448 (CHEMBL2395094)	Displacement of [125I]Peptide YY from neuropeptide Y receptor type 1 in human SK-N-MC cells after 60 mins
50043052	7	ChEMBL_965456 (CHEMBL2395102)	Displacement of [125I]Aminopotentidine from human recombinant histamine H2 receptor expressed in CHOK1 cells after 2 hrs
50043052	8	ChEMBL_965455 (CHEMBL2395101)	Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells after 3 hrs
50043052	9	ChEMBL_965461 (CHEMBL2395265)	Displacement of [3H]Dexamethasone from glucocorticoid receptor in human HeLaS3 cells after 2 hrs
50043052	10	ChEMBL_965462 (CHEMBL2395266)	Displacement of [3H]CGP54626 from human recombinant GABAB1A receptor expressed in CHO cells after 3 hrs
50043052	11	ChEMBL_965470 (CHEMBL2395274)	Displacement of [3H]Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells after 2 hrs
50043052	12	ChEMBL_965476 (CHEMBL2395280)	Displacement of [3H]Bradykinin from human recombinant bradykinin B2 receptor expressed in CHEM1 cells after 60 mins
50043052	13	ChEMBL_965477 (CHEMBL2395281)	Displacement of [3H](Des-Arg10)-Kallidin from bradykinin B1 receptor in human IMR90 cells after 60 mins
50043052	14	ChEMBL_965478 (CHEMBL2395282)	Displacement of [3H]Mibolerone from rat recombinant androgen receptor expressed in Escherichia coli after 4 hrs
50043053	1	ChEMBL_966183 (CHEMBL2395688)	Binding affinity to human histamine H2 receptor by radioligand displacement assay
50043053	2	ChEMBL_966185 (CHEMBL2395690)	Binding affinity to human histamine H1 receptor by radioligand displacement assay
50043053	3	ChEMBL_966186 (CHEMBL2395691)	Binding affinity to human GAL2 receptor by radioligand displacement assay
50043053	4	ChEMBL_966187 (CHEMBL2395692)	Binding affinity to human GAL1 receptor by radioligand displacement assay
50043053	5	ChEMBL_966194 (CHEMBL2395699)	Binding affinity to human dopamine D2S receptor by radioligand displacement assay
50043053	6	ChEMBL_966197 (CHEMBL2395702)	Binding affinity to human bradykinin B2 receptor by radioligand displacement assay
50043053	7	ChEMBL_966029 (CHEMBL2394918)	Binding affinity to human VPAC1 receptor by radioligand displacement assay
50043053	8	ChEMBL_966030 (CHEMBL2394919)	Binding affinity to human glucocorticoid receptor by radioligand displacement assay
50043053	9	ChEMBL_966037 (CHEMBL2394926)	Binding affinity to human 5-HT3 receptor by radioligand displacement assay
50043053	10	ChEMBL_966044 (CHEMBL2394933)	Binding affinity to human PGI2 receptor by radioligand displacement assay
50043053	11	ChEMBL_966049 (CHEMBL2394938)	Binding affinity to human NOP receptor by radioligand displacement assay
50043053	12	ChEMBL_966054 (CHEMBL2394943)	Binding affinity to human NTS1 receptor by radioligand displacement assay
50043053	13	ChEMBL_966053 (CHEMBL2394942)	Binding affinity to human neuropeptide Y receptor type 2 by radioligand displacement assay
50043053	14	ChEMBL_966056 (CHEMBL2394945)	Binding affinity to human neuropeptide Y receptor type 1 by radioligand displacement assay
50043053	15	ChEMBL_966055 (CHEMBL2394944)	Binding affinity to human NK3 receptor by radioligand displacement assay
50043053	16	ChEMBL_966057 (CHEMBL2394946)	Binding affinity to human NK2 receptor by radioligand displacement assay
50043053	17	ChEMBL_966176 (CHEMBL2395524)	Binding affinity to human NK1 receptor by radioligand displacement assay
50043053	18	ChEMBL_966236 (CHEMBL2395897)	Inhibition of human recombinant dopamine D2S receptor expressed in HEK293 cells
50043054	1	ChEMBL_963496 (CHEMBL2394377)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 10 mins by fluorescence assay
50043055	1	ChEMBL_963502 (CHEMBL2394383)	Inhibition of human recombinant GST-6XHis-tagged full-length cytosolic METAP2 expressed in cabbage looper BTI-TN-5B1-4 cells using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase
50043055	2	ChEMBL_963503 (CHEMBL2394384)	Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escherichia coli BL21(DE3) using Met-Pro-p-nitroanilide as substrate after 20 mins by spectrophotometric analysis in presence of Bacillus coagulans GST-tagged proline iminopeptidase
50043056	1	ChEMBL_963511 (CHEMBL2394392)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman's method
50043056	2	ChEMBL_963512 (CHEMBL2394393)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins prior to substrate addition measured after 60 to 180 secs by Ellman's method
50043057	1	ChEMBL_963631 (CHEMBL2395150)	Inhibition of APN in human ES-2 cells using L-Leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 1 hr by UV-Vis spectrophotometry
50043057	2	ChEMBL_963630 (CHEMBL2395149)	Inhibition of pig kidney APN using L-Leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by UV-Vis spectrophotometry
50043058	1	ChEMBL_963635 (CHEMBL2395154)	Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS condition by Muraoka and Miura method
50043058	2	ChEMBL_963636 (CHEMBL2395155)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds for 30 mins by Ellman's method
50043059	1	ChEMBL_963822 (CHEMBL2396124)	Displacement of [3H]-methylspiperone from dopamine D2L receptor (unknown origin) after 60 mins
50043060	1	ChEMBL_964153 (CHEMBL2394808)	Binding affinity to NTS1 receptor (unknown origin) by radioligand displacement assay
50043060	2	ChEMBL_964162 (CHEMBL2394817)	Binding affinity to human glucocorticoid receptor by radioligand displacement assay
50043060	3	ChEMBL_964168 (CHEMBL2394823)	Binding affinity to human 5-HT3 receptor by radioligand displacement assay
50043060	4	ChEMBL_964176 (CHEMBL2394989)	Binding affinity to PGI2 receptor (unknown origin) by radioligand displacement assay
50043060	5	ChEMBL_964180 (CHEMBL2394993)	Binding affinity to human VPAC1 receptor by radioligand displacement assay
50043060	6	ChEMBL_964181 (CHEMBL2394994)	Binding affinity to ORL1 receptor (unknown origin) by radioligand displacement assay
50043060	7	ChEMBL_964185 (CHEMBL2394998)	Binding affinity to human neuropeptide Y2 receptor by radioligand displacement assay
50043060	8	ChEMBL_964186 (CHEMBL2394999)	Binding affinity to human neuropeptide Y1 receptor by radioligand displacement assay
50043060	9	ChEMBL_964187 (CHEMBL2395000)	Binding affinity to human NK3 receptor by radioligand displacement assay
50043060	10	ChEMBL_964188 (CHEMBL2395001)	Binding affinity to human NK2 receptor by radioligand displacement assay
50043060	11	ChEMBL_964189 (CHEMBL2395002)	Binding affinity to human NK1 receptor by radioligand displacement assay
50043060	12	ChEMBL_964196 (CHEMBL2395009)	Binding affinity to human histamine H2 receptor by radioligand displacement assay
50043060	13	ChEMBL_964197 (CHEMBL2395010)	Binding affinity to human histamine H1 receptor by radioligand displacement assay
50043060	14	ChEMBL_964198 (CHEMBL2395011)	Binding affinity to human GAL2 receptor by radioligand displacement assay
50043060	15	ChEMBL_964199 (CHEMBL2395012)	Binding affinity to human GAL1 receptor by radioligand displacement assay
50043060	16	ChEMBL_964326 (CHEMBL2395588)	Binding affinity to human dopamine D2S receptor by radioligand displacement assay
50043060	17	ChEMBL_964329 (CHEMBL2395591)	Binding affinity to human bradykinin B2 receptor by radioligand displacement assay
50043060	18	ChEMBL_964582 (CHEMBL2393970)	Displacement of [3H]DTG from sigma 1 receptor (unknown origin)
50043060	19	ChEMBL_964585 (CHEMBL2393973)	Displacement of [3H]1,3-di(2-tolyl)guanidine from sigma 1 receptor in human Jurkat cells
50043061	1	ChEMBL_964768 (CHEMBL2394852)	Binding affinity to human histamine H1 receptor
50043061	2	ChEMBL_964770 (CHEMBL2394854)	Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor
50043062	1	ChEMBL_964778 (CHEMBL2394862)	Inhibition of UT-B in human erythrocytes assessed as increase of hypotonic lysis
50043062	2	ChEMBL_964780 (CHEMBL2394864)	Inhibition of UT-B in mouse acetamide-loaded erythrocyte assessed as increase of hypotonic lysis
50043063	1	ChEMBL_964802 (CHEMBL2395048)	Binding affinity to sigma1 receptor (unknown origin) by radioligand displacement assay
50043064	1	ChEMBL_964960 (CHEMBL2395828)	Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	2	ChEMBL_964974 (CHEMBL2396007)	Displacement of [3H]Epibatidine from human recombinant alpha4beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	3	ChEMBL_964975 (CHEMBL2396008)	Displacement of [3H]Epibatidine from alpha4beta2 nACh receptor in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	4	ChEMBL_964976 (CHEMBL2396009)	Displacement of [3H]Epibatidine from human recombinant alpha4beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	5	ChEMBL_964979 (CHEMBL2396012)	Displacement of [3H]Epibatidine from human recombinant alpha2beta4 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	6	ChEMBL_964980 (CHEMBL2396013)	Displacement of [3H]Epibatidine from human recombinant alpha2beta2 nACh receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	7	ChEMBL_964937 (CHEMBL2395634)	Displacement of [3H]Pentazocine from guinea pig sigma 1 receptor after 1 to 1.5 hrs by scintillation counting analysis
50043064	8	ChEMBL_964951 (CHEMBL2395819)	Displacement of [3H]Tiotidine from human recombinant histamine H2 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	9	ChEMBL_964952 (CHEMBL2395820)	Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting analysis
50043064	10	ChEMBL_965131 (CHEMBL2393673)	Displacement of [3H]LY278584 from human recombinant 5-HT3 receptor expressed in HEK293T cells after 1 to 1.5 hrs by scintillation counting analysis
50043065	1	ChEMBL_965509 (CHEMBL2395457)	Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 mins measured after 30 mins
50043065	2	ChEMBL_965362 (CHEMBL2394698)	Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 250 uM NAM
50043065	3	ChEMBL_965489 (CHEMBL2395293)	Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 5 uM NAM
50043065	4	ChEMBL_965490 (CHEMBL2395294)	Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 1 uM NAM
50043065	5	ChEMBL_965364 (CHEMBL2394700)	Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 25 uM NAM
50043065	6	ChEMBL_965363 (CHEMBL2394699)	Competitive inhibition of Nampt (unknown origin) after 15 mins in presence of 125 uM NAM
50043065	7	ChEMBL_965360 (CHEMBL2394696)	Inhibition of human Nampt after 3 hrs by counting analysis
50043066	1	ChEMBL_965518 (CHEMBL2395466)	Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substrate addition measured for 10 mins by fluorimetric analysis
50043067	1	ChEMBL_965522 (CHEMBL2395470)	Noncompetitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis
50043067	2	ChEMBL_965523 (CHEMBL2395471)	Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis
50043067	3	ChEMBL_965525 (CHEMBL2395473)	Inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by spectrophotometry
50043068	1	ChEMBL_965913 (CHEMBL2394344)	Inhibition of CLK1 (unknown origin)
50043068	2	ChEMBL_965912 (CHEMBL2394343)	Inhibition of CLK4 (unknown origin)
50043068	3	ChEMBL_965916 (CHEMBL2394347)	Inhibition of CLK4 (unknown origin) by bioluminescence assay
50043068	4	ChEMBL_965923 (CHEMBL2394354)	Inhibition of mouse recombinant GST-tagged CLK4 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by liquid scintillation counting analysis
50043068	5	ChEMBL_965915 (CHEMBL2394346)	Inhibition of DYRK1A (unknown origin) by bioluminescence assay
50043068	6	ChEMBL_965910 (CHEMBL2394341)	Inhibition of DYRK1B (unknown origin)
50043068	7	ChEMBL_965909 (CHEMBL2394340)	Inhibition of DYRK1A (unknown origin)
50043068	8	ChEMBL_965914 (CHEMBL2394345)	Inhibition of CLK2 (unknown origin)
50043068	9	ChEMBL_965921 (CHEMBL2394352)	Inhibition of human recombinant CLK1 (148 to 484 amino acids) expressed in Escherichia coli BL21(DE3) using AFRREWSPGKEAKK as substrate preincubated for 10 mins prior to substrate addition by LDH assay
50043068	10	ChEMBL_965924 (CHEMBL2394355)	Inhibition of mouse recombinant GST-tagged CLK1 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by liquid scintillation counting analysis
50043068	11	ChEMBL_965918 (CHEMBL2394349)	Competitive inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ATP
50043068	12	ChEMBL_965911 (CHEMBL2394342)	Inhibition of CLK3 (unknown origin)
50043068	13	ChEMBL_965920 (CHEMBL2394351)	Inhibition of DYRK1A (unknown origin) using YRASPSRPESPRPPA-NH2 as substrate preincubated for 10 mins prior to substrate addition by LDH assay
50043068	14	ChEMBL_965919 (CHEMBL2394350)	Inhibition of human recombinant CLK3 (275 to 632 amino acids) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins prior to substrate addition by LDH assay
50043068	15	ChEMBL_965922 (CHEMBL2394353)	Inhibition of mouse recombinant GST-tagged CLK2 expressed in Escherichia coli DH5[alpha] using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate by liquid scintillation counting analysis
50043068	16	ChEMBL_965917 (CHEMBL2394348)	Competitive inhibition of GST-tagged DYRK1B (unknown origin) expressed in Escherichia coli BL21(DE3) by Lineweaver-Burk plot analysis in presence of ATP
50043069	1	ChEMBL_966072 (CHEMBL2395113)	Inhibition of JAK1 (unknown origin)
50043069	2	ChEMBL_966071 (CHEMBL2395112)	Inhibition of JAK2 (unknown origin)
50043069	3	ChEMBL_966070 (CHEMBL2395111)	Inhibition of JAK1-mediated STAT3 phosphorylation in IL6-induced human TF1 cells
50043069	4	ChEMBL_966058 (CHEMBL2394947)	Inhibition of JAK3 (unknown origin)
50043070	1	ChEMBL_966260 (CHEMBL2395921)	Inhibition of human glutaminyl cyclase expressed in HEK293 cells using L-glutaminyl-beta-naphthylamine as substrate after 1 hr by fluorometric analysis
50043071	1	ChEMBL_966261 (CHEMBL2395922)	Inhibition of c-Met (unknown origin) after 30 mins by HTRF assay
50043071	2	ChEMBL_966266 (CHEMBL2395927)	Inhibition of c-Met (unknown origin)
50043072	1	ChEMBL_963722 (CHEMBL2395549)	Inhibition of recombinant PI3K p110delta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatographic analysis in presence of [gamma-33P]ATP
50043072	2	ChEMBL_963723 (CHEMBL2395550)	Inhibition of recombinant PI3K p110beta/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatographic analysis in presence of [gamma-33P]ATP
50043072	3	ChEMBL_963724 (CHEMBL2395551)	Inhibition of recombinant PI3K p110alpha/p85alpha (unknown origin) using phosphotidylinositol as susbstrate after 1 hr by thin layer paper chromatographic analysis in presence of [gamma-33P]ATP
50043073	1	ChEMBL_964212 (CHEMBL2395025)	Inhibition of equine serum BChE using butylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method
50043073	2	ChEMBL_964213 (CHEMBL2395026)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method
50043074	1	ChEMBL_964226 (CHEMBL2395196)	Inhibition of HDAC3 (unknown origin)
50043075	1	ChEMBL_964252 (CHEMBL2395222)	Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay
50043075	2	ChEMBL_964255 (CHEMBL2395225)	Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophotometric analysis
50043076	1	ChEMBL_964819 (CHEMBL2395065)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins
50043077	1	ChEMBL_964985 (CHEMBL2396018)	Antagonist activity at rat CCR1
50043077	2	ChEMBL_964990 (CHEMBL2396023)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of MIP-1alpha-induced chemotaxis after 2 hrs by fluorescence assay
50043078	1	ChEMBL_965015 (CHEMBL2396177)	Binding affinity to human microsomal 11beta-HSD1 by radiometric competition assay
50043078	2	ChEMBL_965016 (CHEMBL2396178)	Inhibition of rat 11beta-HSD1
50043079	1	ChEMBL_965033 (CHEMBL2396195)	Inhibition of aurora C (unknown origin)
50043079	2	ChEMBL_965032 (CHEMBL2396194)	Inhibition of aurora B (unknown origin)
50043079	3	ChEMBL_965034 (CHEMBL2396196)	Inhibition of aurora A (unknown origin)
50043079	4	ChEMBL_965037 (CHEMBL2396199)	Inhibition of aurora B (unknown origin) by HTRF assay
50043079	5	ChEMBL_965038 (CHEMBL2396200)	Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay
50043080	1	ChEMBL_965189 (CHEMBL2393850)	Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis
50043080	2	ChEMBL_965191 (CHEMBL2393976)	Inhibition of human VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by scintillation spectrometric analysis
50043081	1	ChEMBL_965386 (CHEMBL2394873)	Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase
50043082	1	ChEMBL_965405 (CHEMBL2394892)	Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay
50043083	1	ChEMBL_965561 (CHEMBL2395658)	Inhibition of aminopeptidase N (unknown origin) using L-leucine-beta-naphthylamide as substrate after 15 mins
50043084	1	ChEMBL_965765 (CHEMBL2393704)	Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior to substrate addition measured with in 30 mins by fluorescence assay
50043084	2	ChEMBL_965760 (CHEMBL2393699)	Inhibition of human microsomal epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior to substrate addition measured with in 30 mins by fluorescence assay
50043084	3	ChEMBL_965763 (CHEMBL2393702)	Inhibition of rat soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior to substrate addition measured with in 30 mins by fluorescence assay
50043084	4	ChEMBL_965762 (CHEMBL2393701)	Inhibition of CYP2C9 (unknown origin)
50043084	5	ChEMBL_965766 (CHEMBL2393705)	Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mins prior to substrate addition measured after 60 mins by ELISA
50043084	6	ChEMBL_965754 (CHEMBL2396470)	Inhibition of CYP2C8 (unknown origin)
50043085	1	ChEMBL_966359 (CHEMBL2396492)	Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrophotometric analysis
50043085	2	ChEMBL_966356 (CHEMBL2396489)	Inhibition of CYP2C9 in human liver microsomes after 30 mins
50043085	3	ChEMBL_966334 (CHEMBL2396288)	Inhibition of CYP2C19 (unknown origin)
50043085	4	ChEMBL_966337 (CHEMBL2396291)	Inhibition of CYP1A2 (unknown origin)
50043085	5	ChEMBL_966336 (CHEMBL2396290)	Inhibition of CYP2D6 (unknown origin)
50043085	6	ChEMBL_966338 (CHEMBL2396471)	Inhibition of NAMPT in human A2780 cells assessed as reduction in NAD level after 48 hrs by mass spectrophotometric analysis
50043086	1	ChEMBL_963568 (CHEMBL2394755)	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis
50043087	1	ChEMBL_963734 (CHEMBL2395733)	Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA
50043088	1	ChEMBL_963748 (CHEMBL2395747)	Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis
50043089	1	ChEMBL_963768 (CHEMBL2395767)	Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting analysis
50043090	1	ChEMBL_963772 (CHEMBL2395933)	Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydrase assay
50043091	1	ChEMBL_963919 (CHEMBL2393754)	Agonist activity at FPR3 (unknown origin) transfected in human HL60 cells assessed as induction of Ca2+ mobilization
50043092	1	ChEMBL_963955 (CHEMBL2393907)	Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180 seconds by Ellman's method
50043092	2	ChEMBL_963956 (CHEMBL2393908)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180 seconds by Ellman's method
50043092	3	ChEMBL_963949 (CHEMBL2393901)	Competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50043093	1	ChEMBL_964080 (CHEMBL2394433)	Inhibition of KCa2.3 (unknown origin)
50043094	1	ChEMBL_964096 (CHEMBL2394449)	Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay
50043094	2	ChEMBL_964097 (CHEMBL2394604)	Inhibition of human recombinant caspase-3 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay
50043095	1	ChEMBL_964273 (CHEMBL2395387)	Displacement of [3H]R1881 from AR in human MDA-MB-453 cells
50043095	2	ChEMBL_964272 (CHEMBL2395386)	Displacement of [3H]R1881 from AR in human LNCaP cells after 2 hrs by scintillation counting analysis
50043095	3	ChEMBL_964286 (CHEMBL2395400)	Inhibition of human truncated CYP17A1 expressed in Escherichia coli
50043096	1	ChEMBL_964299 (CHEMBL2395561)	Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of lysophosphotidylinositol-induced beta-arrestin recruitment preincubated for 30 mins followed by lysophosphotidylinositol induction by beta-galactosidase reporter gene assay
50043096	2	ChEMBL_964304 (CHEMBL2395566)	Agonist activity at human GPR35b expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043096	3	ChEMBL_964313 (CHEMBL2395575)	Agonist activity at human GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043096	4	ChEMBL_964288 (CHEMBL2395402)	Inhibition of DNA polymerase beta (unknown origin)
50043096	5	ChEMBL_964291 (CHEMBL2395405)	Activation of AHR (unknown origin)
50043096	6	ChEMBL_964293 (CHEMBL2395407)	Inhibition of alpha7 nAChR (unknown origin)
50043096	7	ChEMBL_964307 (CHEMBL2395569)	Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043096	8	ChEMBL_964310 (CHEMBL2395572)	Agonist activity at mouse GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043097	1	ChEMBL_964445 (CHEMBL2396334)	Inhibition of recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 using SAPATGGVK(Me2)KPHRYRPGTVAL as substrate incubated for 15 mins prior to substrate addition measured after 50 mins by rapid fire mass spectrophotometric analysis
50043097	2	ChEMBL_964444 (CHEMBL2396333)	Inhibition of recombinant 6xHis-tagged JMJD3 (unknown origin) expressed in Escherichia coli BL21
50043097	3	ChEMBL_964443 (CHEMBL2396332)	Inhibition of JMJD2A (unknown origin)
50043097	4	ChEMBL_964318 (CHEMBL2395580)	Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to compound addition measured after 4 hrs by fluorescence polarization assay in presence of H3K36me2 peptide
50043097	5	ChEMBL_964319 (CHEMBL2395581)	Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to compound addition measured after 4 hrs by fluorescence polarization assay in presence of N-oxalyl glycine
50043097	6	ChEMBL_964320 (CHEMBL2395582)	Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to compound addition measured after 4 hrs by fluorescence polarization assay in presence of pyridine 2,4-dicarboxylic acid
50043097	7	ChEMBL_964321 (CHEMBL2395583)	Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to compound addition measured after 4 hrs by fluorescence polarization assay in presence of alpha-ketoglutarate
50043097	8	ChEMBL_964446 (CHEMBL2396335)	Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to compound addition measured after 4 hrs by fluorescence polarization assay in presence of methylstat acid
50043097	9	ChEMBL_964439 (CHEMBL2396328)	Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presence of Co2+
50043097	10	ChEMBL_964440 (CHEMBL2396329)	Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presence of Ni2+
50043097	11	ChEMBL_964441 (CHEMBL2396330)	Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay
50043097	12	ChEMBL_964447 (CHEMBL2396336)	Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presence of Fe2+ and sodium ascorbate
50043098	1	ChEMBL_969084 (CHEMBL2400965)	Antagonist activity at MDM2 (unknown origin)-p53 complex assessed as release of p53 by NMR spectroscopic analysis
50043098	2	ChEMBL_969085 (CHEMBL2400966)	Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay in presence of P4 peptide
50043098	3	ChEMBL_969083 (CHEMBL2400964)	Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3) by HSQC NMR spectroscopic analysis
50043099	1	ChEMBL_968023 (CHEMBL2401275)	Competitive inhibition of GST-tagged Grb2 SH3C domain (unknown origin)-Gab2 interaction incubated 2 hrs prior to biotinylated Gab2b peptide addition measured after 30 mins by SDS-PAGE analysis
50043100	1	ChEMBL_968765 (CHEMBL2399318)	Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of SOS-mediated nucleotide release activity
50043100	2	ChEMBL_968766 (CHEMBL2399319)	Inhibition of full-length human KRas4B (amino acids 1 to 188)-SOS interaction assessed as inhibition of nucleotide exchange activity
50043100	3	ChEMBL_968780 (CHEMBL2399333)	Inhibition of recombinant ICMT (unknown origin) expressed in sf9 cells using biotin S-farnesyl-L-cysteine as substrate
50043101	1	ChEMBL_968784 (CHEMBL2399439)	Inhibition of beta-catenin-mediated transcriptional activity in Wnt3a-stimulated human HeLa cells after 24 hrs by Dual-Glo luciferase reporter gene assay
50043101	2	ChEMBL_968781 (CHEMBL2399334)	Binding affinity to human beta-catenin expressed in Escherichia coli BL21 after 45 mins by fluorescence polarization assay
50043101	3	ChEMBL_968782 (CHEMBL2399335)	Inhibition of Tcf4 binding to beta-catenin (unknown origin)
50043102	1	ChEMBL_968984 (CHEMBL2400425)	Activity at rat recombinant GluN1/GluN2C receptor assessed as potentiation of glycine/glutamate-induced activation by two-electrode voltage clamp technique
50043102	2	ChEMBL_968983 (CHEMBL2400424)	Activity at rat recombinant GluN1/GluN2D receptor assessed as potentiation of glycine/glutamate-induced activation by two-electrode voltage clamp technique
50043103	1	ChEMBL_969057 (CHEMBL2400791)	Antagonist activity at human CGRP receptor
50043103	2	ChEMBL_969056 (CHEMBL2400790)	Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis
50043103	3	ChEMBL_969008 (CHEMBL2400597)	Inhibition of CYP1A2 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-hydroxy-3-cyanocoumarin after 45 mins by fluorescence assay
50043103	4	ChEMBL_969012 (CHEMBL2400601)	Inhibition of CYP2C19 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-cyano-7-ethoxycoumarin conversion to 7-hydroxy-3-cyanocoumarin after 45 mins by fluorescence assay
50043103	5	ChEMBL_969013 (CHEMBL2400602)	Inhibition of CYP2C9 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxy-4-trifluoromethylcoumarin after 45 mins by fluorescence assay
50043103	6	ChEMBL_969014 (CHEMBL2400603)	Inhibition of CYP2D6 (unknown origin) expressed in baculovirus-infected insect cell microsomes assessed as 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin conversion to 3-[2-(N,N-diethylamino)ethyl]-7-hydroxy-4-methylcoumarin after 45 mins by fluorescence assay
50043104	1	ChEMBL_968063 (CHEMBL2401415)	Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation
50043105	1	ChEMBL_968095 (CHEMBL2401547)	Binding affinity to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by surface plasmon resosnance analysis
50043105	2	ChEMBL_968096 (CHEMBL2398954)	Inhibition of TMRA-p53 binding to MDM2 (25 to 109 amino acids) (unknown origin) after 30 mins by fluorescence polarization assay
50043106	1	ChEMBL_968102 (CHEMBL2398960)	Inhibition of macrophage ACAT (unknown origin)
50043106	2	ChEMBL_968111 (CHEMBL2398969)	Non-competitive inhibition of human microsomal ACAT2 overexpressed in CHO cells using [14C]oleoyl-CoA as substrate assessed as formation of cholesteryl [14C]-oleate after 24 hrs
50043106	3	ChEMBL_968112 (CHEMBL2398970)	Non-competitive inhibition of human microsomal ACAT1 overexpressed in CHO cells using [14C]oleoyl-CoA as substrate assessed as formation of cholesteryl [14C]-oleate after 24 hrs
50043106	4	ChEMBL_968124 (CHEMBL2398982)	Non-competitive inhibition of microsomal ACAT in human MDM using [14C]oleoyl-CoA as substrate assessed as formation of cholesteryl [14C]-oleate after 24 hrs
50043106	5	ChEMBL_968098 (CHEMBL2398956)	Inhibition of ACAT2 in human MDM assessed as inhibition of acetylated LDL-induced cholesterol ester accumulation after 1 hr by HPLC analysis
50043106	6	ChEMBL_968100 (CHEMBL2398958)	Inhibition of macrophage ACAT2 (unknown origin)
50043106	7	ChEMBL_968099 (CHEMBL2398957)	Inhibition of ACAT1 in human MDM assessed as inhibition of acetylated LDL-induced cholesterol ester accumulation after 1 hr by HPLC analysis
50043106	8	ChEMBL_968101 (CHEMBL2398959)	Inhibition of ACAT1 (unknown origin)
50043107	1	ChEMBL_968273 (CHEMBL2399754)	Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric analysis
50043107	2	ChEMBL_968274 (CHEMBL2399755)	Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis
50043108	1	ChEMBL_968429 (CHEMBL2400580)	Agonist activity at GST-tagged human FXR LBD assessed as recruitment of biotinylated SRC-1 peptide after 30 mins by AlphaScreen assay
50043109	1	ChEMBL_968437 (CHEMBL2400588)	Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate
50043109	2	ChEMBL_968432 (CHEMBL2400583)	Inhibition of core catalytic domain of SENP1 (unknown origin) using SUMO3-EKL as substrate
50043109	3	ChEMBL_968433 (CHEMBL2400584)	Inhibition of core catalytic domain of USP21 (unknown origin) using ubiquitin-Rh110 as substrate
50043109	4	ChEMBL_968434 (CHEMBL2400585)	Inhibition of core catalytic domain of USP8 (unknown origin) using ubiquitin-Rh110 as substrate
50043109	5	ChEMBL_968435 (CHEMBL2400586)	Inhibition of core catalytic domain of USP2 (unknown origin) using diubiquitin IQF K4804 as substrate
50043110	1	ChEMBL_968441 (CHEMBL2400592)	Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonate) as substrate preincubated for 5 mins prior to substrate addition by fluorescence assay
50043110	2	ChEMBL_968438 (CHEMBL2400589)	Competitive inhibition of human recombinant soluble epoxide hydrolase using [3H]-tDPPO as substrate
50043111	1	ChEMBL_967469 (CHEMBL2401356)	Competitive binding affinity to Pseudomonas aeruginosa PAO1 His6-tagged RocR expressed in Escherichia coli BL21 (DE3) after 5 mins in presence of [32P]-c-di-GMP
50043112	1	ChEMBL_967474 (CHEMBL2401361)	Modulation of recombinant GlyR-alpha3 (unknown origin) expressed in HEK293 cells assessed as inhibition of glycine-induced current by automated planar patch-clamp automated electrophysiology assay
50043112	2	ChEMBL_967475 (CHEMBL2401362)	Modulation of recombinant GlyR-alpha1 (unknown origin) expressed in HEK293 cells assessed as inhibition of glycine-induced current by automated planar patch-clamp automated electrophysiology assay
50043113	1	ChEMBL_967480 (CHEMBL2401367)	Activation of RXRalpha (unknown origin) by CAT reporter gene assay
50043114	1	ChEMBL_967638 (CHEMBL2399368)	Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alpha-1C expressed in HEK293 cells by FLIPR assay
50043115	1	ChEMBL_967641 (CHEMBL2399371)	Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay
50043115	2	ChEMBL_967653 (CHEMBL2399383)	Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 30 mins by TR-FRET assay
50043115	3	ChEMBL_967655 (CHEMBL2399385)	Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 20 mins by TR-FRET assay
50043115	4	ChEMBL_967654 (CHEMBL2399384)	Binding affinity to human GTS-tagged FXR LBD using fluorescein-tagged SRC2-2 after 15 mins by TR-FRET assay
50043115	5	ChEMBL_967658 (CHEMBL2399388)	Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay
50043115	6	ChEMBL_967659 (CHEMBL2399389)	Antagonist activity at FXR (unknown origin) by coactivator assay
50043115	7	ChEMBL_967650 (CHEMBL2399380)	Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay
50043116	1	ChEMBL_966384 (CHEMBL2398821)	Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as increase in amyloid beta 38 generation after 24 hrs by ELISA
50043116	2	ChEMBL_966383 (CHEMBL2398820)	Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 40 generation after 24 hrs by ELISA
50043116	3	ChEMBL_966382 (CHEMBL2401601)	Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 generation after 24 hrs by ELISA
50043117	1	ChEMBL_966397 (CHEMBL2398834)	Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
50043117	2	ChEMBL_966388 (CHEMBL2398825)	Inhibition of RhoC-mediated pathway in human SK-Mel-147 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
50043118	1	ChEMBL_966425 (CHEMBL2398862)	Antagonist activity at CCR1 in whole blood (unknown origin) assessed as inhibition of LKN1-induced upregulation of beta2-integrin CD11b
50043118	2	ChEMBL_966426 (CHEMBL2398863)	Antagonist activity at CCR1 in whole blood (unknown origin) assessed as inhibition of MIP1alpha-induced upregulation of beta2-integrin CD11b
50043118	3	ChEMBL_966428 (CHEMBL2398865)	Antagonist activity at human CCR1 assessed as inhibition of HCC-1-induced chemotaxis
50043118	4	ChEMBL_966406 (CHEMBL2398843)	Induction of PXR (unknown origin)
50043118	5	ChEMBL_966433 (CHEMBL2399021)	Binding affinity to human CCR1
50043118	6	ChEMBL_966432 (CHEMBL2398869)	Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
50043118	7	ChEMBL_966431 (CHEMBL2398868)	Antagonist activity at human CCR1 assessed as inhibition of ieukotactin-1-induced chemotaxis
50043118	8	ChEMBL_966430 (CHEMBL2398867)	Antagonist activity at human CCR1 assessed as inhibition of RANTES-induced chemotaxis
50043118	9	ChEMBL_966429 (CHEMBL2398866)	Antagonist activity at human CCR1 assessed as inhibition of MPIF-1-induced chemotaxis
50043119	1	ChEMBL_966597 (CHEMBL2399631)	Displacement of soluble CD4 from HIV1 SF162 gp120 after overnight incubation by ELISA
50043120	1	ChEMBL_966605 (CHEMBL2399639)	Inhibition of ACAT2 (unknown origin)
50043120	2	ChEMBL_966604 (CHEMBL2399638)	Inhibition of ACAT1 (unknown origin)
50043121	1	ChEMBL_966782 (CHEMBL2400482)	Inhibition of FAAH in rat brain homogenates using [3H]anandamide as substrate preincubated for 60 mins by liquid scintillation spectroscopy
50043122	1	ChEMBL_966888 (CHEMBL2401179)	Inhibition of recombinant LMWPTP (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	2	ChEMBL_966891 (CHEMBL2401182)	Inhibition of recombinant VHZ (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	3	ChEMBL_966892 (CHEMBL2401183)	Inhibition of recombinant VHX (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	4	ChEMBL_966893 (CHEMBL2401184)	Inhibition of recombinant VHR (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	5	ChEMBL_966896 (CHEMBL2401187)	Inhibition of recombinant PTPmu (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	6	ChEMBL_966897 (CHEMBL2401188)	Inhibition of recombinant PTPgamma (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	7	ChEMBL_966898 (CHEMBL2401189)	Inhibition of recombinant PTPepsilon (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	8	ChEMBL_966899 (CHEMBL2401190)	Inhibition of recombinant PTPbeta (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	9	ChEMBL_966902 (CHEMBL2401193)	Inhibition of recombinant CD45 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	10	ChEMBL_966903 (CHEMBL2401194)	Inhibition of recombinant PTPH1 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	11	ChEMBL_966904 (CHEMBL2401195)	Inhibition of recombinant PTP-PEST (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	12	ChEMBL_966905 (CHEMBL2401196)	Inhibition of recombinant FAP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	13	ChEMBL_966906 (CHEMBL2401197)	Inhibition of recombinant PTP-MEG2 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	14	ChEMBL_966907 (CHEMBL2401198)	Inhibition of recombinant HEPTP (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	15	ChEMBL_966908 (CHEMBL2401199)	Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	16	ChEMBL_966909 (CHEMBL2401200)	Inhibition of recombinant SHP-2 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	17	ChEMBL_966910 (CHEMBL2401201)	Inhibition of recombinant SHP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	18	ChEMBL_966911 (CHEMBL2401202)	Inhibition of recombinant PTP1B (unknown origin) using pNPP as substrate by spectrophotometric analysis
50043122	19	ChEMBL_966913 (CHEMBL2401204)	Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate by spectrophotometric analysis
50043122	20	ChEMBL_966798 (CHEMBL2400646)	Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated with substrate followed by enzyme addition by spectrophotometric analysis
50043122	21	ChEMBL_966796 (CHEMBL2400644)	Competitive inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate by Dixon plot analysis
50043122	22	ChEMBL_966983 (CHEMBL2401470)	Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate by spectrometric analysis
50043122	23	ChEMBL_966797 (CHEMBL2400645)	Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated with enzyme for 30 mins prior to substrate addition by spectrophotometric analysis
50043123	1	ChEMBL_967231 (CHEMBL2400168)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay
50043123	2	ChEMBL_967232 (CHEMBL2400169)	Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay
50043124	1	ChEMBL_967544 (CHEMBL2398938)	Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-pNA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay
50043124	2	ChEMBL_967545 (CHEMBL2398939)	Inhibition of human neutrophil cathepsin G using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay
50043124	3	ChEMBL_967547 (CHEMBL2398941)	Inhibition of human recombinant chymase using Suc-Ala-Ala-Pro-Phe-MCA as substrate assessed as AMC formation preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay
50043125	1	ChEMBL_967550 (CHEMBL2398944)	Inhibition of human recombinant wild type LRRK2 using biotin-LRRKtide as substrate preincubated for 15 mins prior to substrate addition measured after 60 mins by TR-FRET assay
50043125	2	ChEMBL_967551 (CHEMBL2398945)	Inhibition of wild type GST-tagged LRRK2 ((1326 to 2517 amino acids) (unknown origin)
50043125	3	ChEMBL_967553 (CHEMBL2398947)	Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay
50043126	1	ChEMBL_967710 (CHEMBL2399711)	Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence assay
50043126	2	ChEMBL_967711 (CHEMBL2399712)	Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence assay
50043127	1	ChEMBL_967730 (CHEMBL2399731)	Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay
50043128	1	ChEMBL_967740 (CHEMBL2399741)	Inhibition of MDM2 (unknown origin) binding to FAM-LTFEHYWAQLTS-NH2 after 30 mins by fluorescence polarization assay
50043129	1	ChEMBL_967878 (CHEMBL2400558)	Inhibition of human His6-tagged full length PRL3 assessed as inhibition of DiFMUP dephosphorylation
50002443	14	ChEMBL_1764051 (CHEMBL4199298)	Inhibition of recombinant human MIF tautomerase activity after 5 to 20 mins in presence of BSA by dopachrome tautomerase assay
50002443	15	ChEMBL_1764050 (CHEMBL4199297)	Inhibition of recombinant MIF (unknown origin) tautomerase activity using dopachrome methyl ester as substrate measured for 20 secs
50002443	16	ChEMBL_1764062 (CHEMBL4199309)	Binding affinity to human MIF by Trp based fluorescent spectroscopy
50002443	17	ChEMBL_1764066 (CHEMBL4199313)	Inhibition of MIF (unknown origin) tautomerase activity using dopa as substrate
50002444	1	ChEMBL_1764071 (CHEMBL4199318)	Inhibition of DLK (unknown origin) using myelin basic protein as substrate preincubated for 15 mins measured after 30 mins in presence of [gamma-32P]ATP by scintillation counting
50002444	2	ChEMBL_1764070 (CHEMBL4199317)	Inhibition of recombinant GST-tagged full length human MLK3 KD expressed in baculovirus using myelin basic protein as substrate preincubated for 15 mins measured after 30 mins in presence of [gamma-32P]ATP by scintillation counting
50002444	3	ChEMBL_1764069 (CHEMBL4199316)	Inhibition of recombinant GST-tagged full length human MLK2 KD/LZ expressed in baculovirus using myelin basic protein as substrate preincubated for 15 mins measured after 30 mins in presence of [gamma-32P]ATP by scintillation counting
50002444	4	ChEMBL_1764068 (CHEMBL4199315)	Inhibition of recombinant GST-tagged human MLK1 KD (1 to 500 residues) expressed in baculovirus using myelin basic protein as substrate preincubated for 15 mins measured after 30 mins in presence of [gamma-32P]ATP by scintillation counting
50043130	3	ChEMBL_967913 (CHEMBL2400729)	Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay
50043130	4	ChEMBL_967915 (CHEMBL2400731)	Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay
50043130	5	ChEMBL_967915 (CHEMBL2400731)	Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay
50043130	9	ChEMBL_967890 (CHEMBL2400706)	Inhibition of ATR (unknown origin)
50043130	11	ChEMBL_967892 (CHEMBL2400708)	Inhibition of mTOR (unknown origin)
50043130	12	ChEMBL_967893 (CHEMBL2400709)	Inhibition of VPS34 (unknown origin)
50002444	5	ChEMBL_1764072 (CHEMBL4199319)	Inhibition of DLK (unknown origin)
50002445	1	ChEMBL_1764147 (CHEMBL4199394)	Agonist activity at tTA containing TCS cleavage site-fused 5-HT7 receptor (unknown origin) expressed in tTA-dependent luciferase reporter/TEV-fused beta-arrestin2 expressing HTLA cells assessed as induction of beta-arrestin2 recruitment after 22 hrs by Tango assay
50002445	2	ChEMBL_1764145 (CHEMBL4199392)	Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of Gs protein-mediated cAMP accumulation by luminescence-based assay
50002445	3	ChEMBL_1764100 (CHEMBL4199347)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	4	ChEMBL_1764102 (CHEMBL4199349)	Displacement of [3H]LSD from human 5-HT1A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	5	ChEMBL_1764104 (CHEMBL4199351)	Displacement of [3H]LSD from human 5-HT1D receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	6	ChEMBL_1764106 (CHEMBL4199353)	Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	7	ChEMBL_1764109 (CHEMBL4199356)	Displacement of [3H]LSD from human 5-HT3 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	8	ChEMBL_1764111 (CHEMBL4199358)	Displacement of [3H]LSD from human 5-HT5A receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	9	ChEMBL_1764108 (CHEMBL4199355)	Displacement of [3H]LSD from human 5-HT2C receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	10	ChEMBL_1764107 (CHEMBL4199354)	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50043131	1	ChEMBL_967923 (CHEMBL2400739)	Displacement of [125I]PYY from NPY1 receptor in human SK-N-MC cells after 1 hr by microbeta scintillation counting analysis
50043132	1	ChEMBL_966443 (CHEMBL2399031)	Inhibition of MSK2 (unknown origin)
50043132	2	ChEMBL_966445 (CHEMBL2399033)	Inhibition of MAP4K4 (unknown origin)
50043132	3	ChEMBL_966447 (CHEMBL2399035)	Inhibition of DYRK3 (unknown origin)
50043132	4	ChEMBL_966446 (CHEMBL2399034)	Inhibition of CDK9 (unknown origin)
50043132	5	ChEMBL_966448 (CHEMBL2399036)	Inhibition of PIK3CD (unknown origin)
50043132	6	ChEMBL_966450 (CHEMBL2399038)	Inhibition of PIK3C2B (unknown origin)
50043132	7	ChEMBL_966449 (CHEMBL2399037)	Inhibition of PIK3C2A (unknown origin)
50043132	8	ChEMBL_966452 (CHEMBL2399040)	Inhibition of MAP4K2 (unknown origin)
50043132	9	ChEMBL_966451 (CHEMBL2399039)	Inhibition of STK17A (unknown origin)
50043132	10	ChEMBL_966468 (CHEMBL2399056)	Inhibition of CYP2D6 (unknown origin)
50043133	1	ChEMBL_966507 (CHEMBL2399205)	Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay
50043134	1	ChEMBL_966615 (CHEMBL2399649)	Inhibition of Coxsackievirus B3 Nancy 3Cpro
50043135	1	ChEMBL_966646 (CHEMBL2399851)	Negative allosteric modulation of human mGluR1 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization
50043136	1	ChEMBL_966652 (CHEMBL2399857)	Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation after 15 mins
50043136	2	ChEMBL_966657 (CHEMBL2399862)	Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells by scintillation counting analysis
50002445	11	ChEMBL_1764103 (CHEMBL4199350)	Displacement of [3H]LSD from human 5-HT1B receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50002445	12	ChEMBL_1764105 (CHEMBL4199352)	Displacement of [3H]LSD from human 5-HT1E receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50043137	4	ChEMBL_966820 (CHEMBL2400821)	Displacement of [3H]7-OH-DPAT from human dopamine D2L receptor expressed in CHO cells
50043138	1	ChEMBL_966836 (CHEMBL2400837)	Binding affinity to substance P receptor (1 to 7 amino acids) binding site in rat spinal cord membranes
50043138	2	ChEMBL_966838 (CHEMBL2400839)	Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by liquid scintillation counting analysis
50043139	1	ChEMBL_966960 (CHEMBL2401345)	Inhibition of human PIM1 using RSRHSSYPAGT as substrate after 30 mins
50043139	2	ChEMBL_966955 (CHEMBL2401340)	Inhibition of human PIM3 using RSRHSSYPAGT as substrate after 30 mins
50043140	1	ChEMBL_967169 (CHEMBL2399913)	Binding affinity to recombinant wild type human Abl using abitide as substrate
50043141	1	ChEMBL_967179 (CHEMBL2399923)	Inhibition of human sperm acrosin using BAPNA as substrate after 3 hrs by spectrophotometric analysis
50043142	1	ChEMBL_967438 (CHEMBL2401228)	Activation of AMPK in rat L6 cells assessed as increase of [3H]dGlc uptake after 5 hrs
50043143	1	ChEMBL_967612 (CHEMBL2399232)	Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay
50043143	2	ChEMBL_967617 (CHEMBL2399237)	Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay
50043143	3	ChEMBL_967614 (CHEMBL2399234)	Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance assay
50043143	4	ChEMBL_967616 (CHEMBL2399236)	Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay
50043143	5	ChEMBL_967624 (CHEMBL2399244)	Binding affinity to Bcl-w (unknown origin) by luminescence proximity assay
50043143	6	ChEMBL_967619 (CHEMBL2399239)	Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay
50043143	7	ChEMBL_967620 (CHEMBL2399240)	Binding affinity to human/mouse chimeric Mcl-1 by fluorescence polarization assay
50043143	8	ChEMBL_967623 (CHEMBL2399243)	Displacement of biotinylated-Bim from Bcl-Xl (unknown origin) by fluorescence polarization assay
50043143	9	ChEMBL_967613 (CHEMBL2399233)	Binding affinity to human GST-tagged Bcl-Xl assessed as direct binding constant at steady state by surface plasmon resonance assay
50043143	10	ChEMBL_967622 (CHEMBL2399242)	Displacement of biotinylated-Bak from Bcl-Xl (unknown origin) by fluorescence polarization assay
50043144	1	ChEMBL_967970 (CHEMBL2401074)	Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay
50043144	2	ChEMBL_967971 (CHEMBL2401075)	Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 to 30 mins by fluorescence polarization assay
50043145	1	ChEMBL_966536 (CHEMBL2399352)	Binding affinity to Escherichia coli FimH assessed as dissociation constant by ITC analysis
50043145	2	ChEMBL_966537 (CHEMBL2399353)	Binding affinity to Escherichia coli K-12 FimH assessed as dissociation constant by SPR analysis
50043146	1	ChEMBL_966729 (CHEMBL2400289)	Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
50043146	2	ChEMBL_966730 (CHEMBL2400290)	Inhibition of Aurora kinase B (unknown origin)
50043146	3	ChEMBL_966732 (CHEMBL2400292)	Inhibition of Aurora kinase A (unknown origin)
50043147	1	ChEMBL_966862 (CHEMBL2401006)	Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
50043147	2	ChEMBL_966861 (CHEMBL2401005)	Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+
50043147	3	ChEMBL_966863 (CHEMBL2401007)	Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate in presence of NAD+
50043148	1	ChEMBL_971431 (CHEMBL2406144)	Inhibition of GST-tagged Plk3 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 15 mins by TR-FRET assay
50043148	2	ChEMBL_971432 (CHEMBL2406145)	Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay
50043148	3	ChEMBL_971578 (CHEMBL2406852)	Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay
50043148	4	ChEMBL_971423 (CHEMBL2406136)	Inhibition of Plk2 (unknown origin) transfected in HEK293 cells assessed as inhibition of alpha-synuclein phosphorylation at ser129 after 2 hrs by ELISA
50043149	1	ChEMBL_971591 (CHEMBL2406865)	Inhibition of Trypanosoma cruzi cruzain
50043149	2	ChEMBL_971590 (CHEMBL2406864)	Inhibition of papaya papain
50043150	1	ChEMBL_971605 (CHEMBL2406879)	Inhibition of human thymidine phosphorylase
50043151	1	ChEMBL_971636 (CHEMBL2404055)	Antagonist activity at human thromboxane A2 receptor beta over-expressed in HEK293 cells assessed as inhibition of U-46619-induced intracellular calcium mobilization mobilization by fluorescence assay
50043151	2	ChEMBL_971638 (CHEMBL2404057)	Antagonist activity at human thromboxane A2 receptor alpha over-expressed in HEK293 cells assessed as inhibition of U-46619-induced intracellular calcium mobilization by fluorescence assay
50043152	1	ChEMBL_971771 (CHEMBL2404607)	Antagonist activity at rat recombinant P2X3 receptor expressed in HEK293T cells assessed as desensitization of alpha,beta-methyleneATP-induced current after 20 secs by patch clamp technique
50043153	1	ChEMBL_971985 (CHEMBL2405763)	Inhibition of human recombinant His-tagged c-MET kinase using 5FAM-KKKSPGEYVNIGFG-NH2 as substrate after 60 mins by TR-FRET assay
50043154	1	ChEMBL_969176 (CHEMBL2404433)	Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay
50043154	2	ChEMBL_969177 (CHEMBL2404434)	Antagonist activity at serotonin 5HT3 receptor (unknown origin) by PDSP assay
50043154	3	ChEMBL_969180 (CHEMBL2404437)	Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay
50043155	1	ChEMBL_970324 (CHEMBL2403990)	Inhibition of Aurora B kinase (unknown origin) by Z'-LYTE kinase assay
50043155	2	ChEMBL_970325 (CHEMBL2403991)	Inhibition of Aurora A kinase (unknown origin) by Z'-LYTE kinase assay
50043155	3	ChEMBL_970342 (CHEMBL2404115)	Inhibition of recombinant Aurora B kinase (unknown origin) expressed in Escherichia coli
50043156	1	ChEMBL_970660 (CHEMBL2405877)	Binding affinity to NTR3 (unknown origin)
50043156	2	ChEMBL_970661 (CHEMBL2405878)	Displacement of [125I]NT from rat NTR1 transfected in mouse LTK cells
50043157	1	ChEMBL_970665 (CHEMBL2405882)	Inhibition of electric eel AChE after 30 mins by Ellman's method
50043158	1	ChEMBL_970672 (CHEMBL2405889)	Inhibition of human recombinant BHMT using N-methyl-[14C]-betaine/D,L-homocysteine as substrate after 30 mins by scintiillation counting analysis
50043159	1	ChEMBL_971018 (CHEMBL2404357)	Inhibition of PDK1-mediated Akt activation in human PC3 cells after 2 hrs by Western blotting analysis
50043160	1	ChEMBL_971025 (CHEMBL2404528)	Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counting analysis
50043160	2	ChEMBL_971028 (CHEMBL2404531)	Inhibition of human DGAT1
50043161	1	ChEMBL_971056 (CHEMBL2404559)	Inhibition of CYP2D6 (unknown origin)
50043162	1	ChEMBL_971446 (CHEMBL2406324)	Inhibition of ROCK2 (unknown origin) after 60 mins
50043162	2	ChEMBL_971473 (CHEMBL2406351)	Inhibition of ABL (unknown origin) after 60 mins
50043162	3	ChEMBL_971448 (CHEMBL2406326)	Inhibition of PDGFRalpha (unknown origin) after 60 mins
50043162	4	ChEMBL_971455 (CHEMBL2406333)	Inhibition of JAK2 (unknown origin) after 60 mins
50043162	5	ChEMBL_971447 (CHEMBL2406325)	Inhibition of RET (unknown origin) after 60 mins
50043162	6	ChEMBL_971461 (CHEMBL2406339)	Inhibition of FLT3 (unknown origin) after 60 mins
50043162	7	ChEMBL_971443 (CHEMBL2406321)	Inhibition of STK22D (unknown origin) after 60 mins
50043162	8	ChEMBL_971458 (CHEMBL2406336)	Inhibition of IGF1 receptor (unknown origin) after 60 mins
50043162	9	ChEMBL_971459 (CHEMBL2406337)	Inhibition of insulin receptor (unknown origin) after 60 mins
50043162	10	ChEMBL_971469 (CHEMBL2406347)	Inhibition of ALK (unknown origin) after 60 mins
50043162	11	ChEMBL_971487 (CHEMBL2406365)	Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay
50043162	12	ChEMBL_971444 (CHEMBL2406322)	Inhibition of ZAP70 (unknown origin) after 60 mins
50043162	13	ChEMBL_971456 (CHEMBL2406334)	Inhibition of JAK3 (unknown origin) after 60 mins
50043162	14	ChEMBL_971457 (CHEMBL2406335)	Inhibition of JAK1 (unknown origin) after 60 mins
50043162	15	ChEMBL_971468 (CHEMBL2406346)	Inhibition of BTK (unknown origin) after 60 mins
50043162	16	ChEMBL_971451 (CHEMBL2406329)	Inhibition of cMET (unknown origin) after 60 mins
50043162	17	ChEMBL_971445 (CHEMBL2406323)	Inhibition of SYK (unknown origin) after 60 mins
50043162	18	ChEMBL_971450 (CHEMBL2406328)	Inhibition of MKNK2 (unknown origin) after 60 mins
50043162	22	ChEMBL_971485 (CHEMBL2406363)	Inhibition of TEL-fused insulin receptor (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay
50043162	28	ChEMBL_971449 (CHEMBL2406327)	Inhibition of PAK2 (unknown origin) after 60 mins
50043163	1	ChEMBL_971508 (CHEMBL2406570)	Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay
50043163	2	ChEMBL_971509 (CHEMBL2406571)	Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay
50043164	1	ChEMBL_971691 (CHEMBL2404230)	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis
50043165	1	ChEMBL_972034 (CHEMBL2405985)	Silent agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of PNU-120596-stimulated peak current
50043166	1	ChEMBL_972063 (CHEMBL2406167)	Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate phenylhydrazone after 30 mins by spectrophotometric analysis
50043167	1	ChEMBL_969219 (CHEMBL2404639)	Reversible inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assay
50043167	2	ChEMBL_969221 (CHEMBL2404641)	Inhibition of recombinant HDHD4 (unknown origin) using Neu5Ac-9-P as substrate assessed as release of phosphate after 30 mins by maiachite green assay
50043168	1	ChEMBL_969259 (CHEMBL2404824)	Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis
50043168	2	ChEMBL_969260 (CHEMBL2404825)	Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis
50043168	3	ChEMBL_969257 (CHEMBL2404822)	Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation
50043169	1	ChEMBL_971354 (CHEMBL2405917)	Inhibition of human 11beta-HSD2
50043169	2	ChEMBL_971350 (CHEMBL2405913)	Inhibition of human 11beta-HSD1
50043169	3	ChEMBL_971357 (CHEMBL2405920)	Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillation proximity assay
50043169	4	ChEMBL_971356 (CHEMBL2405919)	Inhibition of human 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillation proximity assay
50043169	5	ChEMBL_971358 (CHEMBL2405921)	Inhibition of mouse 11beta-HSD2
50043169	6	ChEMBL_971351 (CHEMBL2405914)	Inhibition of mouse 11beta-HSD1
50043169	7	ChEMBL_971349 (CHEMBL2405912)	Inhibition of rat 11beta-HSD1
50043170	1	ChEMBL_971714 (CHEMBL2404383)	Binding affinity to human recombinant 5HT3 receptor
50043170	2	ChEMBL_971564 (CHEMBL2406739)	Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus
50043170	3	ChEMBL_971567 (CHEMBL2406742)	Binding affinity to serotonin 5-HT3 receptor (unknown origin)
50043171	1	ChEMBL_971725 (CHEMBL2404394)	Displacement of [125I]PYY from NPY-Y2 receptor in human KAN-TS cell membranes after 1 hr by scintillation counting analysis
50043171	2	ChEMBL_971724 (CHEMBL2404393)	Inhibition of MTP (unknown origin)-mediated triglyceride transfer from donor to acceptor vesicles preincubated for 5 mins followed by enzyme addition by [14C]-counting analysis
50043171	3	ChEMBL_971721 (CHEMBL2404390)	Inhibition of MTP (unknown origin)
50043171	4	ChEMBL_971723 (CHEMBL2404392)	Antagonist activity at NPY-Y2 receptor in human KAN-TS cell membranes assessed as inhibition of PYY-stimulated [35S]GTPgammaS binding preincubated for 30 mins prior to [35S]GTPgammaS-treatment measured after 1 hr
50043172	1	ChEMBL_971749 (CHEMBL2404585)	Inhibition of human recombinant PAK1 using MBP as substrate by scintillation counting analysis in presence of [gamma-32P]ATP
50043172	2	ChEMBL_971747 (CHEMBL2404583)	Inhibition of PAK1 in human OVCAR3 cells assessed as MEK phosphorylation by TR-FRET assay
50043173	1	ChEMBL_971929 (CHEMBL2405379)	Inhibition of CYP2D6 (unknown origin)
50043173	2	ChEMBL_971928 (CHEMBL2405378)	Inhibition of CYP2C9 (unknown origin)
50043173	3	ChEMBL_971933 (CHEMBL2405383)	Inhibition of CYP2C19 (unknown origin)
50043174	1	ChEMBL_971947 (CHEMBL2405557)	Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestosterone-induced effect by reporter gene assay
50043175	1	ChEMBL_972079 (CHEMBL2406183)	Inhibition of PDGFRa (unknown origin)
50043175	2	ChEMBL_972080 (CHEMBL2406184)	Inhibition of ALK (unknown origin)
50043175	3	ChEMBL_972082 (CHEMBL2406186)	Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay
50043175	4	ChEMBL_972076 (CHEMBL2406180)	Inhibition of RET (unknown origin)
50043176	1	ChEMBL_972107 (CHEMBL2406390)	Agonist activity at human LXRbeta-LBD assessed as recruitment of co-activator peptide after 2 hrs by TR-FRET assay
50043176	2	ChEMBL_972108 (CHEMBL2406391)	Agonist activity at human LXRalpha-LBD assessed as recruitment of co-activator peptide after 2 hrs by TR-FRET assay
50043176	3	ChEMBL_972112 (CHEMBL2406395)	Binding affinity to human LXRbeta-LBD by surface plasmon resonance
50043176	4	ChEMBL_972111 (CHEMBL2406394)	Binding affinity to human LXRalpha-LBD by surface plasmon resonance
50043177	1	ChEMBL_972118 (CHEMBL2406401)	Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay
50043177	2	ChEMBL_972117 (CHEMBL2406400)	Inhibition of Flaveria bidentis recombinant CA by CO2 hydration assay
50043178	1	ChEMBL_972128 (CHEMBL2406600)	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 expressed in HEK293 cells after 1 hr by scintillation counting analysis
50043179	1	ChEMBL_969323 (CHEMBL2405026)	Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation counting analysis
50043179	2	ChEMBL_969327 (CHEMBL2405192)	Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation counting analysis
50043179	3	ChEMBL_969295 (CHEMBL2404998)	Inhibition of CYP2D6 (unknown origin)
50043179	4	ChEMBL_969294 (CHEMBL2404997)	Inhibition of CYP2C19 (unknown origin)
50043179	5	ChEMBL_969296 (CHEMBL2404999)	Inhibition of CYP2C9 (unknown origin)
50043179	6	ChEMBL_969297 (CHEMBL2405000)	Inhibition of CYP2B6 (unknown origin)
50043179	7	ChEMBL_969298 (CHEMBL2405001)	Inhibition of CYP1A2 (unknown origin)
50043180	1	ChEMBL_969986 (CHEMBL2405252)	Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-glutamate-induced activity after 1 hr by FLIPR assay
50043180	2	ChEMBL_969988 (CHEMBL2405254)	Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr by FLIPR assay
50043180	3	ChEMBL_969345 (CHEMBL2405210)	Positive allosteric modulation of mGlu5 receptor (unknown origin)
50043181	1	ChEMBL_970003 (CHEMBL2405421)	Inhibition of GABA uptake at GAT-1 (unknown origin)
50043182	1	ChEMBL_970146 (CHEMBL2406231)	Inhibition of human wild-type ABL (Ser229 to Gln513)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay
50043182	2	ChEMBL_970148 (CHEMBL2406233)	Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay
50043183	1	ChEMBL_970232 (CHEMBL2406499)	Inhibition of cMET in human MKN45 cells assessed as phosphorylated MET levels after 4 hrs
50043183	2	ChEMBL_970234 (CHEMBL2406637)	Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins
50043183	3	ChEMBL_970202 (CHEMBL2406469)	Inhibition of aurora-B in human HT-29 cells assessed as phosphorylation of histone H3 at Ser10
50043183	4	ChEMBL_970209 (CHEMBL2406476)	Inhibition of cMET in human MKN45 cells assessed as phosphorylated MET levels after 4 hrs in presence of mouse plasma
50043183	5	ChEMBL_970205 (CHEMBL2406472)	Inhibition of ALK autophosphorylation in human Karpas-299 cells
50043183	6	ChEMBL_970231 (CHEMBL2406498)	Inhibition of short-form RON (unknown origin) expressed in human HeLa cells assessed as phosphorylated RON levels after 4 hrs
50043183	7	ChEMBL_970208 (CHEMBL2406475)	Inhibition of ALK (unknown origin) autophosphorylation
50043183	8	ChEMBL_970207 (CHEMBL2406474)	Inhibition of RON (unknown origin) autophosphorylation
50043183	9	ChEMBL_970204 (CHEMBL2406471)	Inhibition of aurora-B (unknown origin) autophosphorylation
50043183	10	ChEMBL_970201 (CHEMBL2406468)	Inhibition of aurora-B in human HT-29 cells assessed as phosphorylation of histone H3 at Ser10 in presence of mouse plasma
50043184	1	ChEMBL_970237 (CHEMBL2406640)	Inhibition of mouse recombinant N-terminal GST-tagged TTLL7-mediated Ac-DATAEEEGEFEEEAEEEVA glutamylation expressed in Escherichia coli Rosetta2 DE3 after 16 hrs by LC-MS analysis
50043185	1	ChEMBL_969854 (CHEMBL2404654)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting analysis
50043185	2	ChEMBL_970290 (CHEMBL2406816)	Agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production preincubated for 30 mins prior to forskolin-treatment measured after 15 mins by ELISA
50043185	3	ChEMBL_970293 (CHEMBL2406819)	Partial agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production preincubated for 30 mins prior to forskolin-treatment measured after 15 mins by ELISA
50043185	4	ChEMBL_970296 (CHEMBL2403962)	Agonist activity at mouse adenosine A3 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production preincubated for 30 mins prior to forskolin-treatment measured after 15 mins by ELISA
50043185	5	ChEMBL_969851 (CHEMBL2404651)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse adenosine A3 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting analysis
50043186	1	ChEMBL_969893 (CHEMBL2404846)	Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method
50043186	2	ChEMBL_969894 (CHEMBL2404847)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method
50043187	1	ChEMBL_969404 (CHEMBL2405594)	Inhibition of 11beta-HSD1 in human liver microsomes using [3H]-cortisone as substrate assessed as formation of cortisol after 60 to 90 mins by radiometric analysis
50043187	2	ChEMBL_969415 (CHEMBL2405605)	Inhibition of 11beta-HSD1 in rat testis microsomes using [3H]-11-DHC as substrate assessed as formation of CORT after 60 to 90 mins by radiometric analysis
50043187	3	ChEMBL_969408 (CHEMBL2405598)	Inhibition of 11beta-HSD1 in Sprague-Dawley rat leydig cells at 100 uM
50043187	4	ChEMBL_969405 (CHEMBL2405595)	Inhibition of human 11beta-HSD1 transfected in CHOP cells
50043188	1	ChEMBL_969661 (CHEMBL2406770)	Inhibition of CYP2D6 (unknown origin)
50043188	2	ChEMBL_969665 (CHEMBL2406774)	Inhibition of CYP2C19 (unknown origin)
50043188	3	ChEMBL_969664 (CHEMBL2406773)	Inhibition of CYP2C9 (unknown origin)
50043188	4	ChEMBL_969663 (CHEMBL2406772)	Inhibition of CYP2A6 (unknown origin)
50043188	5	ChEMBL_969667 (CHEMBL2406776)	Inhibition of CYP1A2 (unknown origin)
50043188	6	ChEMBL_969666 (CHEMBL2406775)	Inhibition of CYP1A1 (unknown origin)
50043188	7	ChEMBL_969461 (CHEMBL2405812)	Inhibition of human recombinant PDE11A
50043189	1	ChEMBL_969714 (CHEMBL2403942)	Binding affinity to human NK3 receptor
50043189	2	ChEMBL_969716 (CHEMBL2403944)	Binding affinity to human NK2 receptor
50043189	3	ChEMBL_969717 (CHEMBL2403945)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of human serum
50043189	4	ChEMBL_969718 (CHEMBL2403946)	Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells
50043189	5	ChEMBL_969692 (CHEMBL2403920)	Inhibition of human CYP2D6
50043189	6	ChEMBL_969691 (CHEMBL2403919)	Inhibition of human CYP2C9
50043189	7	ChEMBL_969694 (CHEMBL2403922)	Inhibition of human CYP2C8
50043190	1	ChEMBL_969491 (CHEMBL2406002)	Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by HTRF assay
50043191	1	ChEMBL_969521 (CHEMBL2406032)	Inhibition of Clostridium botulinum BoNT/A light chain
50043192	1	ChEMBL_969749 (CHEMBL2404091)	Inhibition of Wistar rat brain FAAH using [3H]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition by liquid scintillation counting analysis
50043193	1	ChEMBL_969560 (CHEMBL2406224)	Inhibition of human recombinant CDK1
50043193	2	ChEMBL_969557 (CHEMBL2406221)	Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate
50043193	3	ChEMBL_969558 (CHEMBL2406222)	Inhibition of CDK7/Cyclin-H/MAT 1 (unknown origin) using (YSPTSPS)2KK peptide as substrate
50043193	4	ChEMBL_969559 (CHEMBL2406223)	Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate
50043194	1	ChEMBL_969587 (CHEMBL2406429)	Inhibition of ALK (unknown origin) transfected in mouse BA/F3 cells
50043194	2	ChEMBL_969591 (CHEMBL2406433)	Inhibition of ALK (unknown origin)
50043195	1	ChEMBL_972294 (CHEMBL2411805)	Antiprion activity against sheep prion infected in mouse ScN2a-cl3 cells assessed as reduction in PrPSc level after 5 days by ELISA
50043196	1	ChEMBL_972453 (CHEMBL2412823)	Binding affinity to human RPA70N assessed as inhibition of interaction with FITC-Ahx-DFTADDLEELDTLAS-NH2 after 1 hr by fluorescence polarization anisotropy assay
50043196	2	ChEMBL_972450 (CHEMBL2412820)	Binding affinity to human RPA70N expressed in Escherichia coli BL21 (DE3) assessed as inhibition of interaction with FITC-Ahx-DFTADDLEELDTLAS-NH2 after 1 hr by fluorescence polarization anisotropy assay
50043196	3	ChEMBL_972452 (CHEMBL2412822)	Binding affinity to human RPA (1 to 422) containing RPA70N and RPA70NAB assessed as inhibition of interaction with FITC-Ahx-DFTADDLEELDTLAS-NH2 after 1 hr by fluorescence polarization anisotropy assay
50043197	1	ChEMBL_972463 (CHEMBL2412833)	Inhibition of human methionine aminopeptidase 2
50043197	2	ChEMBL_972464 (CHEMBL2412834)	Inhibition of human methionine aminopeptidase 1
50043198	1	ChEMBL_972468 (CHEMBL2412838)	Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 11 uM by isothermal titration calorimetry in presence of 200 mM glucose
50043198	2	ChEMBL_972469 (CHEMBL2412839)	Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 at 100 uM by isothermal titration calorimetry in presence of 200 mM glucose
50043198	3	ChEMBL_972473 (CHEMBL2412843)	Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 by isothermal titration calorimetry in presence of 200 mM glucose
50043199	1	ChEMBL_972134 (CHEMBL2411063)	Inhibition of recombinant wild type c-ABL (unknown origin) after 5 mins by scintillation counting analysis in presence of [gamma32P]ATP
50043200	1	ChEMBL_972155 (CHEMBL2411084)	Antagonist activity at P2X7 in Sprague-Dawley rat synaptosome assessed as inhibition of BzATP-induced [3H]D-aspartate efflux compound preincubated for 8 mins by liquid scintillation counting
50043201	1	ChEMBL_972224 (CHEMBL2411426)	Inhibition of myoglobin (unknown origin)-mediated arachidonic acid oxidation using [14C]AA as substrate after 3 hrs by GC/NICI/MS analysis
50043202	1	ChEMBL_972270 (CHEMBL2411781)	Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay
50043203	1	ChEMBL_972404 (CHEMBL2412579)	Inhibition of TNFalpha-induced IkappaBalpha (unknown origin) phosphorylation expressed in human HeLa cells pretreated 30 mins before TNFalpha addition measured up to 120 mins by ELISA in presence of proteasome inhibitor MG-132
50043204	1	ChEMBL_972421 (CHEMBL2412596)	Inhibition of CYP2D6 (unknown origin)
50043204	2	ChEMBL_972420 (CHEMBL2412595)	Inhibition of CYP2C19 (unknown origin)
50043204	3	ChEMBL_972422 (CHEMBL2412597)	Inhibition of CYP2C9 (unknown origin)
50043204	4	ChEMBL_972423 (CHEMBL2412598)	Inhibition of CYP1A2 (unknown origin)
50043205	1	ChEMBL_972497 (CHEMBL2409979)	Competitive inhibition of rabbit muscle glycogen phosphorylase b
50043205	2	ChEMBL_972498 (CHEMBL2409980)	Inhibition of rabbit muscle glycogen phosphorylase b
50043205	3	ChEMBL_972499 (CHEMBL2409981)	Inhibition of rat liver glycogen phosphorylase
50043206	1	ChEMBL_972551 (CHEMBL2410203)	Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prior to IGF1 induction measured after 15 mins by ELISA in presence of mouse plasma protein
50043206	2	ChEMBL_972567 (CHEMBL2410389)	Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prior to IGF1 induction measured after 15 mins by ELISA
50043206	3	ChEMBL_972569 (CHEMBL2410391)	Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphorylation preincubated for 24 hrs prior to substrate addition by fluorescence assay
50043206	4	ChEMBL_972570 (CHEMBL2410392)	Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphorylation by fluorescence assay
50002445	13	ChEMBL_1764110 (CHEMBL4199357)	Displacement of [3H]LSD from human 5-HT4 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50043207	2	ChEMBL_972632 (CHEMBL2410612)	Inhibition of mouse DGAT1
50002445	14	ChEMBL_1764112 (CHEMBL4199359)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes after 1.5 hrs by microbeta scintillation counting method
50043209	1	ChEMBL_972665 (CHEMBL2410768)	Inhibition of c-Abl (unknown origin)
50043209	2	ChEMBL_972660 (CHEMBL2410763)	Inhibition of HDAC3 (unknown origin) using fluorogenic peptide from p53 residues (379 to 382) (RHKK(Ac)) as substrate by fluorescence assay
50043210	1	ChEMBL_972674 (CHEMBL2410777)	Inhibition of human ERK2 pre-incubation for 15 mins before substrate addition measured after 60 mins by IMAP-FP assay
50043211	1	ChEMBL_972706 (CHEMBL2410915)	Agonist activity at human GPR142 transfected in HEK293 cells after 1 hr by inositol phosphate accumulation assay
50043212	1	ChEMBL_972721 (CHEMBL2410930)	Inhibition of PIM3 (unknown origin)
50043212	2	ChEMBL_972720 (CHEMBL2410929)	Inhibition of Dyrk-3 (unknown origin)
50043212	3	ChEMBL_972722 (CHEMBL2410931)	Inhibition of Hipk-2 (unknown origin)
50043212	4	ChEMBL_972746 (CHEMBL2411106)	Inhibition of N-terminal His6X-tagged recombinant human full length casein kinase-2alpha expressed in SF21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate preincubated for 20 mins measured after 90 mins by mobility shift assay
50043213	1	ChEMBL_974436 (CHEMBL2412508)	Inhibition of ATR (unknown origin)
50043214	1	ChEMBL_974443 (CHEMBL2412515)	Inhibition of recombinant human coagulation factor 7A
50043214	2	ChEMBL_974442 (CHEMBL2412514)	Inhibition of purified human coagulation factor 10a
50043215	1	ChEMBL_974462 (CHEMBL2412534)	Inhibition of bovine liver beta-glucosidase
50043215	2	ChEMBL_974466 (CHEMBL2412538)	Inhibition of Aspergillus niger alpha-glucosidase
50043215	3	ChEMBL_974453 (CHEMBL2412525)	Inhibition of bovine alpha-L-fucosidase
50043216	1	ChEMBL_974488 (CHEMBL2412761)	Inhibition of coffee bean alpha-galactosidase
50043216	2	ChEMBL_974498 (CHEMBL2412771)	Inhibition of bovine kidney alpha-L-fucosidase
50043216	3	ChEMBL_974502 (CHEMBL2412775)	Inhibition of bovine liver beta-galactosidase
50043216	4	ChEMBL_974560 (CHEMBL2410148)	Inhibition of bovine liver beta-glucosidase
50043217	1	ChEMBL_974577 (CHEMBL2410165)	Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometric analysis
50043217	2	ChEMBL_974574 (CHEMBL2410162)	Inhibition of human recombinant aldose reductase
50043218	1	ChEMBL_974582 (CHEMBL2410350)	Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as stimulation of calcium flux by FLIPR assay
50043218	2	ChEMBL_974584 (CHEMBL2410352)	Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis
50043218	3	ChEMBL_974586 (CHEMBL2410354)	Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis
50043219	1	ChEMBL_975104 (CHEMBL2412570)	Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux preincubated for 10 mins by liquid scintillation counting analysis
50043219	2	ChEMBL_975112 (CHEMBL2412783)	Agonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as stimulation of 86Rb+ ion efflux after 5 mins by liquid scintillation counting analysis
50043220	1	ChEMBL_974096 (CHEMBL2410714)	Inhibition of N-terminal FLAG-tagged recombinant FAK (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr as substrate by AlphaScreen assay
50043220	2	ChEMBL_974098 (CHEMBL2410716)	Inhibition of IGF1-R (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay
50043220	3	ChEMBL_974099 (CHEMBL2410717)	Inhibition of IR (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay
50043220	4	ChEMBL_974110 (CHEMBL2410833)	Inhibition of B-raf (unknown origin) in presence of [gamma-33P]-ATP
50043220	5	ChEMBL_974112 (CHEMBL2410835)	Inhibition of aurora A (unknown origin) in presence of [gamma-33P]-ATP
50043220	6	ChEMBL_974115 (CHEMBL2410838)	Inhibition of PDGFRbeta (unknown origin) using biotinylated poly-GluTyr as substrate preincubated for 5 mins followed by ATP addition by AlphaScreen assay
50043220	7	ChEMBL_974104 (CHEMBL2410827)	Inhibition of PDGFRalpha (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay
50043221	1	ChEMBL_974125 (CHEMBL2410848)	Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium level by fluorescence plate reader analysis
50043222	1	ChEMBL_974126 (CHEMBL2410849)	Inhibition of FITC-labeled fibrinogen binding to integrin alpha2bbeta3 receptor in human platelets by flow cytometry
50043223	1	ChEMBL_974137 (CHEMBL2410860)	Inhibition of electric eel AChE using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method
50043224	1	ChEMBL_974167 (CHEMBL2411009)	Inhibition of Cathepsin D (unknown origin) by FRET assay
50043225	1	ChEMBL_974190 (CHEMBL2411324)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr)4:1 as substrate by ELISA
50043225	2	ChEMBL_974192 (CHEMBL2411326)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr)4:1 as substrate by ELISA
50043226	1	ChEMBL_974217 (CHEMBL2411351)	Antagonist activity at androgen receptor (unknown origin) by NH Pro assay
50043226	2	ChEMBL_974216 (CHEMBL2411350)	Agonist activity at androgen receptor (unknown origin) by NH Pro assay
50043226	3	ChEMBL_974219 (CHEMBL2411353)	Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay
50043226	4	ChEMBL_974218 (CHEMBL2411352)	Agonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay
50043226	5	ChEMBL_974220 (CHEMBL2411354)	Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assay
50043226	6	ChEMBL_974210 (CHEMBL2411344)	Antagonist activity at progesterone receptor beta (unknown origin) by NH Pro assay
50043226	7	ChEMBL_974212 (CHEMBL2411346)	Agonist activity at progesterone receptor beta (unknown origin) by NH Pro assay
50043227	1	ChEMBL_974260 (CHEMBL2411538)	Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in presence of human serum albumin
50043227	2	ChEMBL_974258 (CHEMBL2411536)	Inhibition of alpha4beta7 integrin-mediated human 8866 cell adhesion to MadCAM-1
50043227	3	ChEMBL_974259 (CHEMBL2411537)	Inhibition of alpha4beta1 integrin-mediated human jurkat cell adhesion to fibronectin in absence of human serum albumin
50043228	1	ChEMBL_974326 (CHEMBL2411905)	Inhibition of wild-type ABL1 (unknown origin)
50043229	1	ChEMBL_974345 (CHEMBL2411924)	Inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate after 60 mins by fluorometric analysis
50043229	2	ChEMBL_974341 (CHEMBL2411920)	Inhibition of human UCH-L1 using Ub-AMC as substrate after 60 mins by fluorometric analysis
50043229	3	ChEMBL_974344 (CHEMBL2411923)	Inhibition of human USP4 using Ub-AMC as substrate after 60 mins by fluorometric analysis
50043229	4	ChEMBL_974343 (CHEMBL2411922)	Competitive inhibition of wild type human USP5 expressed in Escherichia coli BL21(DE3) using Ub-AMC as substrate
50043229	5	ChEMBL_974330 (CHEMBL2411909)	Inhibition of human USP14
50043229	6	ChEMBL_974327 (CHEMBL2411906)	Inhibition of UCH-L1 in human Z138 cells after 1 hr by immunoblotting analysis
50043229	7	ChEMBL_974328 (CHEMBL2411907)	Inhibition of USP9x in human Z138 cells after 1 hr by immunoblotting analysis
50043229	8	ChEMBL_974329 (CHEMBL2411908)	Inhibition of USP5 in human Z138 cells after 1 hr by immunoblotting analysis
50043230	1	ChEMBL_974383 (CHEMBL2412280)	Activation of eNOS in BCAEC assessed as increase in nitric oxide level after 10 mins by fluorometric analysis
50043231	1	ChEMBL_974557 (CHEMBL2410145)	Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by scintillation proximity assay in presence of NADPH
50043231	2	ChEMBL_974620 (CHEMBL2410546)	Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol by scintillation proximity assay in presence of NADPH
50043232	1	ChEMBL_974632 (CHEMBL2410558)	Reversible inhibition of human Pin1
50043232	2	ChEMBL_974625 (CHEMBL2410551)	Inhibition of full length Pin1 (unknown origin) using WFY(pS)PR-pNA as substrate by spectrophotometric analysis
50043232	3	ChEMBL_974626 (CHEMBL2410552)	Binding affinity to Pin1 WW domain (unknown origin)
50043232	4	ChEMBL_974630 (CHEMBL2410556)	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-cis-Pro-Phe-pNA as substrate
50043232	5	ChEMBL_974631 (CHEMBL2410557)	Inhibition of GST-tagged Pin1 (unknown origin) using Suc-AEPF-pNA and WFYpSPR-pNA as substrate after 5 mins
50043232	6	ChEMBL_974633 (CHEMBL2410559)	Binding affinity to GST-tagged Pin1 (unknown origin) by SPR spectroscopic analysis
50043232	7	ChEMBL_974634 (CHEMBL2410560)	Competitive inhibition of Pin1 (unknown origin) by Lineweaver-Burk plot analysis
50043232	8	ChEMBL_974636 (CHEMBL2410562)	Inhibition of Pin1 (unknown origin)
50043232	9	ChEMBL_974635 (CHEMBL2410561)	Inhibition of human Pin1
50043232	10	ChEMBL_974638 (CHEMBL2410564)	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-MCA as substrate after 120 secs by fluorescence microtiter plate reader analysis
50043232	11	ChEMBL_974637 (CHEMBL2410563)	Inhibition of Par14 (unknown origin)
50043233	1	ChEMBL_973122 (CHEMBL2412885)	Displacement of (+)- [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membrane homogenates by scintillation counting analysis
50043233	2	ChEMBL_973123 (CHEMBL2412886)	Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs
50043234	1	ChEMBL_973264 (CHEMBL2412443)	Agonist activity at human VDR
50043234	2	ChEMBL_973265 (CHEMBL2412444)	Inhibition of human VDR-coactivator interaction
50043235	1	ChEMBL_973380 (CHEMBL2410086)	Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation counting analysis
50043235	2	ChEMBL_973361 (CHEMBL2410067)	Induction of CYP2E1 (unknown origin)
50043235	3	ChEMBL_973360 (CHEMBL2410066)	Induction of CYP2C9 (unknown origin)
50043235	4	ChEMBL_973363 (CHEMBL2410069)	Induction of CYP2B6 (unknown origin)
50043235	5	ChEMBL_973362 (CHEMBL2410068)	Induction of CYP1A2 (unknown origin)
50043235	6	ChEMBL_973364 (CHEMBL2410070)	Inhibition of CYP2D6 (unknown origin)
50043235	7	ChEMBL_973366 (CHEMBL2410072)	Inhibition of CYP2C9 (unknown origin)
50043235	8	ChEMBL_973369 (CHEMBL2410075)	Inhibition of CYP1A2 (unknown origin)
50043235	9	ChEMBL_973367 (CHEMBL2410073)	Inhibition of CYP2C19 (unknown origin)
50043235	10	ChEMBL_973378 (CHEMBL2410084)	Inhibition of recombinant human DGAT-2 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]oleoyl-CoA as substrate after 120 mins by liquid scintillation counting analysis
50043235	11	ChEMBL_973379 (CHEMBL2410085)	Inhibition of DGAT-1 in mouse liver microsomes using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by liquid scintillation counting analysis
50043236	1	ChEMBL_973500 (CHEMBL2410674)	Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay
50043236	2	ChEMBL_973504 (CHEMBL2410678)	Inhibition of MMP-12 (unknown origin) by fluorescence assay
50043236	3	ChEMBL_973419 (CHEMBL2410298)	Inhibition of human CYP2D6
50043236	4	ChEMBL_973421 (CHEMBL2410300)	Inhibition of human CYP2C19
50043236	5	ChEMBL_973420 (CHEMBL2410299)	Inhibition of human CYP2C9
50043236	6	ChEMBL_973484 (CHEMBL2410658)	Inhibition of human CYP1A2
50043237	1	ChEMBL_973760 (CHEMBL2412043)	Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate assessed as formation of MEP measured every 5 secs for 180 secs by spectrophotometric analysis
50043237	2	ChEMBL_973762 (CHEMBL2412045)	Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2
50043237	3	ChEMBL_973766 (CHEMBL2412049)	Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH
50043238	1	ChEMBL_973950 (CHEMBL2410097)	Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins by fluorescence plate reader analysis
50043238	2	ChEMBL_973940 (CHEMBL2412948)	Inhibition of CYP2D6 (unknown origin)
50043238	3	ChEMBL_973939 (CHEMBL2412947)	Inhibition of CYP2C9 (unknown origin)
50043238	4	ChEMBL_973941 (CHEMBL2410088)	Inhibition of CYP2C19 (unknown origin)
50043239	1	ChEMBL_973972 (CHEMBL2410119)	Inhibition of CYP1A2 (unknown origin) using CEC as substrate after 15 mins by fluorescence assay
50043239	2	ChEMBL_973989 (CHEMBL2410314)	Competitive inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli in the presence of ATP
50043239	3	ChEMBL_973990 (CHEMBL2410315)	Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay
50043239	4	ChEMBL_973992 (CHEMBL2410317)	Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay
50043239	5	ChEMBL_973991 (CHEMBL2410316)	Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay
50043239	6	ChEMBL_973993 (CHEMBL2410318)	Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ELISA assay
50043239	7	ChEMBL_973970 (CHEMBL2410117)	Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay
50043239	8	ChEMBL_973971 (CHEMBL2410118)	Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay
50043239	9	ChEMBL_973973 (CHEMBL2410120)	Inhibition of CYP2D6 (unknown origin) using AMMC as substrate after 30 mins by fluorescence assay
50043239	10	ChEMBL_973953 (CHEMBL2410100)	Inhibition of human PLK4
50043239	11	ChEMBL_973967 (CHEMBL2410114)	Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay
50043239	12	ChEMBL_973966 (CHEMBL2410113)	Inhibition of aurora B (unknown origin) by FRET-based homogeneous assay
50043239	13	ChEMBL_973968 (CHEMBL2410115)	Inhibition of aurora A (unknown origin) by FRET-based homogeneous assay
50043240	1	ChEMBL_973999 (CHEMBL2410324)	Inhibition of ALAD (unknown origin)
50043242	1	ChEMBL_974049 (CHEMBL2410527)	Activation of human recombinant glucokinase by matrix assay in presence of glucose
50043243	1	ChEMBL_972806 (CHEMBL2411274)	Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spectrophotometric assay
50043243	2	ChEMBL_972808 (CHEMBL2411276)	Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spectrophotometric assay
50043244	1	ChEMBL_972847 (CHEMBL2411624)	Inhibition of pig full length Cal1 after using SucLLVYAMC as substrate by FRET assay
50043244	2	ChEMBL_972846 (CHEMBL2411623)	Inhibition of papain after using SucLLVYAMC as substrate by FRET assay
50043245	1	ChEMBL_972869 (CHEMBL2411646)	Inhibition of GIRK1/2 (unknown origin)
50043245	2	ChEMBL_972874 (CHEMBL2411651)	Activation of GIRK1/4 (unknown origin)
50043245	3	ChEMBL_972875 (CHEMBL2411652)	Activation of GIRK1/2 (unknown origin) by thallium flux assay
50043245	4	ChEMBL_972866 (CHEMBL2411643)	Activation of GIRK1/2 (unknown origin)
50043245	5	ChEMBL_972867 (CHEMBL2411644)	Inhibition of GIRK1/4 (unknown origin)
50043246	1	ChEMBL_972955 (CHEMBL2412036)	Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis
50043246	2	ChEMBL_972954 (CHEMBL2412035)	Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured every 30 seconds for 10 mins by fluorescence microplate reader analysis
50043247	1	ChEMBL_972961 (CHEMBL2412199)	Inhibition of pre-activated recombinant full length FAK (unknown origin) using ULight labeled poly(Glu/Tyr) as substrate after 1.6 hrs by TR-FRET assay
50043248	1	ChEMBL_972968 (CHEMBL2412206)	Inhibition of human 11beta-HSD1
50043248	2	ChEMBL_972967 (CHEMBL2412205)	Inhibition of rat 11beta-HSD1
50043248	3	ChEMBL_972969 (CHEMBL2412207)	Inhibition of mouse 11beta-HSD1
50043249	1	ChEMBL_972985 (CHEMBL2412223)	Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting
50043249	2	ChEMBL_972986 (CHEMBL2412224)	Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting
50043249	3	ChEMBL_972984 (CHEMBL2412222)	Inhibition of SphK1 in human WM266-4 cells assessed as inhibition of formation of [17C]-S1P formation after 20 mins by LC-MS analysis
50043249	4	ChEMBL_972974 (CHEMBL2412212)	Inhibition of mouse SphK2
50043249	5	ChEMBL_972975 (CHEMBL2412213)	Inhibition of mouse SphK1
50043250	1	ChEMBL_973066 (CHEMBL2412647)	Inhibition of human matriptase measured after 15 mins at pH 8 by fluorescence assay
50043250	2	ChEMBL_973067 (CHEMBL2412648)	Inhibition of human kallikrein 14 measured after 15 mins at pH 8 by fluorescence assay
50043250	3	ChEMBL_973069 (CHEMBL2412650)	Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by fluorescence assay
50043250	4	ChEMBL_973058 (CHEMBL2412639)	Inhibition of human kallikrein 5 measured after 15 mins at pH 8 by double-reciprocal plot analysis
50043250	5	ChEMBL_973068 (CHEMBL2412649)	Inhibition of human kallikrein 7 measured after 15 mins at pH 8 by fluorescence assay
50043251	1	ChEMBL_973093 (CHEMBL2412856)	Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP
50043251	2	ChEMBL_973092 (CHEMBL2412855)	Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation
50043252	1	ChEMBL_973097 (CHEMBL2412860)	Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assay in presence of 100 uM of temozolomide
50043252	2	ChEMBL_973098 (CHEMBL2412861)	Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assay
50043252	3	ChEMBL_973100 (CHEMBL2412863)	Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay
50043252	4	ChEMBL_973099 (CHEMBL2412862)	Inhibition of human PARP1 catalytic activity after 10 mins by ELISA
50043253	1	ChEMBL_973309 (CHEMBL2412696)	Non-competitive inhibition of Trypanosoma cruzi glycosomal GAPDH active site by ITC method
50043253	2	ChEMBL_973313 (CHEMBL2412700)	Competitive inhibition of Trypanosoma cruzi glycosomal GAPDH NAD+ binding site by ITC method
50043253	3	ChEMBL_973242 (CHEMBL2410458)	Inhibition of Trypanosoma cruzi glycosomal GAPDH
50043254	1	ChEMBL_973451 (CHEMBL2410490)	Positive allosteric modulation of human mGluR5 expressed in CHO cells assessed as increase of L-quisqualate-induced intracellular cAMP accumulation treated 5 mins before L-quisqualate addition by FLIPR assay
50043254	2	ChEMBL_973452 (CHEMBL2410491)	Negative allosteric modulation of human mGluR5 expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular cAMP accumulation treated 5 mins before L-quisqualate addition by FLIPR assay
50043254	3	ChEMBL_973445 (CHEMBL2410484)	Negative allosteric modulation of human mGluR1 expressed in CHO cells assessed as inhibition of L-glutamate-induced intracellular cAMP accumulation treated 5 mins before L-quisqualate addition by FLIPR assay
50043255	1	ChEMBL_973540 (CHEMBL2410824)	Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP
50043255	2	ChEMBL_973539 (CHEMBL2410823)	Inhibition of aurora B kinase in human HT-29 cells assessed as inhibition of histone H3 S10 phosphorylation
50043255	3	ChEMBL_973538 (CHEMBL2410822)	Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation
50043255	4	ChEMBL_973470 (CHEMBL2410644)	Inhibition of TAK1 in human TOV21G cells assessed as inhibition of JNK phosphorylation
50043256	1	ChEMBL_973546 (CHEMBL2410948)	Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measured after 110 mins by fluorescence polarization assay
50043257	1	ChEMBL_973580 (CHEMBL2411138)	Binding affinity to human calmodulin expressed in Escherichia coli using M124C-mBBr fluorescent biosensor by spectrofluorometer analysis
50043258	1	ChEMBL_973811 (CHEMBL2412262)	Inhibition of mouse skeletal AChE
50043259	1	ChEMBL_976685 (CHEMBL2417091)	Displacement of [3H]CGS21680 from adenosine A2A receptor in bovine striatal membranes after 90 mins by liquid scintillation counting analysis
50043259	2	ChEMBL_976686 (CHEMBL2417092)	Displacement of [3H]ADAC from adenosine A1 receptor in bovine cerebral cortical membranes after 120 mins
50043260	1	ChEMBL_976716 (CHEMBL2417154)	Inhibition of His-tagged recombinant human acidic mammalian chitinase expressed in Escherichia coli Rosetta-gami 2 (DE3) using 4MU-(GlcNAc)2 as substrate assessed as production of 4-methylumbelliferone measured every 5 mins by fluorescence assay
50043261	1	ChEMBL_975642 (CHEMBL2416126)	Inhibition of rabbit lung ACE assessed as hydrolysis of hippuryl-histidyl-leucine to hippuric acid and histidyl-leucine after 30 mins
50043262	1	ChEMBL_975646 (CHEMBL2416130)	Displacement of [3H]-ifenprodil from Wistar rat cerebral cortex GluN2B after 120 mins
50043263	1	ChEMBL_975718 (CHEMBL2415216)	Inhibition of Mycoplana ramosa APAH expressed in Escherichia coli BL21 (DE3) using BML-KI104 as substrate after 30 mins by fluorimetric assay
50043264	1	ChEMBL_975725 (CHEMBL2415223)	Binding affinity to His-tagged STAT3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as inhibition of protein dimerization by fluorescence polarization assay
50043264	2	ChEMBL_975726 (CHEMBL2415224)	Binding affinity to STAT3 SH2 domain (unknown origin) using 5-FAM-SpYLPQTV as probe assessed as inhibition of protein dimerization after 60 mins by fluorescence polarization assay
50043265	1	ChEMBL_975738 (CHEMBL2415236)	Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectrophotometric analysis
50043266	1	ChEMBL_975943 (CHEMBL2415592)	Inhibition of bovine liver DHFR measured every 1 min for 10 mins
50043267	1	ChEMBL_975987 (CHEMBL2415636)	Reversible competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis
50043268	1	ChEMBL_976202 (CHEMBL2415851)	Inhibition of human SGLT1 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scintillation counting
50043268	2	ChEMBL_976203 (CHEMBL2415852)	Inhibition of human SGLT2 expressed in CHOK cells assessed as reduction of [14C]alpha-methyl-D-glucopyranoside uptake after 120 mins by liquid scintillation counting
50043269	1	ChEMBL_976205 (CHEMBL2415854)	Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by spectrophotometry in presence of PRPP
50043270	1	ChEMBL_976220 (CHEMBL2415869)	Inhibition of rat intestinal sucrase using sucrose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after 60 mins
50043270	2	ChEMBL_976221 (CHEMBL2415870)	Inhibition of rat intestinal maltase using maltose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after 60 mins
50043270	3	ChEMBL_976222 (CHEMBL2415107)	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as 4-nitrophenol release from 4-nitrophenyl alpha-D-glucopyranoside preincubated for 15 mins measured after 15 mins
50043270	4	ChEMBL_976218 (CHEMBL2415867)	Competitive inhibition of rat intestinal sucrase using sucrose as substrate by Lineweaver-Burk plot analysis
50043270	5	ChEMBL_976219 (CHEMBL2415868)	Competitive inhibition of rat intestinal maltase using maltose as substrate by Lineweaver-Burk plot analysis
50043271	1	ChEMBL_976228 (CHEMBL2415113)	Inhibition of iNOS-mediated NO production in IL-1beta/IFNgamma-stimulated rat RINmF cells by Griess reaction
50002447	1	ChEMBL_1764203 (CHEMBL4199450)	Inhibition of human HDAC2 using RHKKAc peptide as substrate
50002447	2	ChEMBL_1764204 (CHEMBL4199451)	Inhibition of human HDAC3 using RHKKAc peptide as substrate
50002447	3	ChEMBL_1764206 (CHEMBL4199453)	Inhibition of human HDAC6 using RHKKAc peptide as substrate
50002447	4	ChEMBL_1764201 (CHEMBL4199448)	Inhibition of human HDAC10 using RHKKAc peptide as substrate
50002447	5	ChEMBL_1764205 (CHEMBL4199452)	Inhibition of human HDAC8 using RHKAcKAc peptide as substrate
50043273	1	ChEMBL_976328 (CHEMBL2415274)	Activation of human recombinant RNase L endonuclease activity using 6-FAM-UUA UCA AAU UCU UAU UUG CCC CAU UUU UUU GGU UUA-BHQ-1 as substrate assessed as substrate cleavage measured for 50 mins by FRET assay
50043274	1	ChEMBL_976960 (CHEMBL2416484)	Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay
50043274	2	ChEMBL_976959 (CHEMBL2416483)	Inhibition of ATPase activity of CENP-E motor domain (unknown origin) by high throughput screening assay
50043275	1	ChEMBL_976961 (CHEMBL2416485)	Agonist activity at GHS-R1a (unknown origin)
50043276	1	ChEMBL_977137 (CHEMBL2416695)	Binding affinity to sigma 1 receptor (unknown origin)
50043276	2	ChEMBL_977139 (CHEMBL2416697)	Binding affinity to histamine H2 receptor (unknown origin)
50043276	3	ChEMBL_977140 (CHEMBL2416698)	Binding affinity to histamine H1 receptor (unknown origin)
50043276	4	ChEMBL_977143 (CHEMBL2416736)	Binding affinity to dopamine 2 receptor (unknown origin)
50043277	1	ChEMBL_975714 (CHEMBL2415174)	Inhibition of recombinant human F13a-mediated biotin X-cadaverine incorporation into N,N'-dimethylcasein after 1 hr
50043277	2	ChEMBL_975715 (CHEMBL2415175)	Inhibition of recombinant human tissue transglutaminase-mediated biotin X-cadaverine incorporation into N,N'-dimethylcasein after 1 hr
50043278	1	ChEMBL_975787 (CHEMBL2415315)	Inhibition of CYP2D6 (unknown origin)
50043278	2	ChEMBL_975785 (CHEMBL2415313)	Inhibition of CYP2C19 (unknown origin)
50043278	3	ChEMBL_975788 (CHEMBL2415316)	Inhibition of CYP2C9 (unknown origin)
50043278	4	ChEMBL_975789 (CHEMBL2415317)	Inhibition of CYP1A2 (unknown origin)
50043278	5	ChEMBL_975790 (CHEMBL2415318)	Inhibition of human AKR1C2-mediated 9,10-phenanthrenequinone reduction after 10 to 20 mins by spectrophotometry in presence of NADPH
50043278	6	ChEMBL_975791 (CHEMBL2415319)	Inhibition of human AKR1C3-mediated 9,10-phenanthrenequinone reduction after 10 to 20 mins by spectrophotometry in presence of NADPH
50043278	7	ChEMBL_975806 (CHEMBL2415372)	Inhibition of human 17beta-HSD5 expressed in human CWR22R cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs
50043278	8	ChEMBL_975807 (CHEMBL2415373)	Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs
50043279	1	ChEMBL_975896 (CHEMBL2415545)	Inhibition of calf thymus PARP-1
50043279	2	ChEMBL_975897 (CHEMBL2415546)	Inhibition of PARP-1 (unknown origin) in broken nuclear preparation
50043279	3	ChEMBL_975899 (CHEMBL2415548)	Inhibition of mouse PARP-2
50043279	4	ChEMBL_975900 (CHEMBL2415549)	Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay
50043280	1	ChEMBL_976022 (CHEMBL2415671)	Inhibition of human recombinant PTP1B-mediated pNPP hydrolysis
50043281	1	ChEMBL_976038 (CHEMBL2415687)	Inhibition of aminopeptidase N (unknown origin)
50043281	2	ChEMBL_976041 (CHEMBL2415690)	Inhibition of pig microsomal aminopeptidase N using L-leu-p-nitroanilide as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by spectrophotometric analysis
50043282	1	ChEMBL_976067 (CHEMBL2415716)	Inhibition of PI3Kdelta in human whole blood assessed as expression of CD69 in B cell preincubated for 1 hr by flow cytometry
50043282	2	ChEMBL_976068 (CHEMBL2415717)	Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay
50043282	3	ChEMBL_976122 (CHEMBL2415771)	Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by competitive fluorescence polarization assay
50043283	1	ChEMBL_976148 (CHEMBL2415797)	Binding affinity to sigma 1 receptor in guinea pig brain membranes
50043284	1	ChEMBL_976153 (CHEMBL2415802)	Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 60 secs by hemoglobin capture assay
50043284	2	ChEMBL_976154 (CHEMBL2415803)	Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 60 secs by hemoglobin capture assay
50043284	3	ChEMBL_976155 (CHEMBL2415804)	Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 60 secs by hemoglobin capture assay
50043285	1	ChEMBL_976156 (CHEMBL2415805)	Inhibition of soybean lipoxygenase-1 assessed as inhibition of conversion of linoleic acid into hydroperoxy eicosatetraenoic acid preincubated for 10 mins before substrate addition measured over 20 mins by spectrophotometric assay
50043286	1	ChEMBL_976174 (CHEMBL2415823)	Inhibition of Sprague-Dawley rat brain HO-2 assessed as bilirubin formation after 60 mins by spectrophotometric analysis
50043286	2	ChEMBL_976175 (CHEMBL2415824)	Inhibition of Sprague-Dawley rat spleen microsomal HO-1 assessed as bilirubin formation after 60 mins by spectrophotometric analysis
50043287	1	ChEMBL_976252 (CHEMBL2415137)	Inhibition of JAK2 (unknown origin)
50043287	2	ChEMBL_976243 (CHEMBL2415128)	Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level
50043288	1	ChEMBL_976374 (CHEMBL2415510)	Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry
50043288	2	ChEMBL_976373 (CHEMBL2415509)	Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addition measured after 5 hrs by scintillation counting analysis
50043288	3	ChEMBL_976300 (CHEMBL2415208)	Inhibition of human ACAT1
50043288	4	ChEMBL_976298 (CHEMBL2415206)	Inhibition of human DGAT2
50043289	1	ChEMBL_976389 (CHEMBL2415331)	Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under hyperpolarized condition by whole cell patch-clamp manual electrophysiology assay
50043289	2	ChEMBL_976391 (CHEMBL2415333)	Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under depolarized condition by whole cell patch-clamp manual electrophysiology assay
50043290	1	ChEMBL_976485 (CHEMBL2416650)	Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method
50043290	2	ChEMBL_976486 (CHEMBL2416651)	Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method
50043291	1	ChEMBL_976636 (CHEMBL2416968)	Binding affinity to XIAP BIR3-domain (unknown origin)
50043292	1	ChEMBL_976652 (CHEMBL2417027)	Inhibition of human BGT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50043292	2	ChEMBL_976653 (CHEMBL2417028)	Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50043292	3	ChEMBL_976654 (CHEMBL2417029)	Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50043292	4	ChEMBL_976655 (CHEMBL2417030)	Inhibition of human GAT1 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis
50043293	1	ChEMBL_976811 (CHEMBL2417291)	Inhibition of CYP1A2 (unknown origin)
50043293	2	ChEMBL_976810 (CHEMBL2417290)	Inhibition of CYP2D6 (unknown origin)
50043293	3	ChEMBL_976814 (CHEMBL2417294)	Inhibition of CYP2C9 (unknown origin)
50043293	4	ChEMBL_976813 (CHEMBL2417293)	Inhibition of CYP2C19 (unknown origin)
50043294	1	ChEMBL_976855 (CHEMBL2416379)	Inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate addition by fluorescence assay
50043294	2	ChEMBL_976851 (CHEMBL2417342)	Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 60 mins before substrate addition by fluorescence assay
50043294	3	ChEMBL_976850 (CHEMBL2417341)	Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate addition by fluorescence assay
50043294	4	ChEMBL_976849 (CHEMBL2417340)	Irreversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins before substrate addition by fluorescence assay
50043294	5	ChEMBL_976846 (CHEMBL2417337)	Irreversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 60 mins before substrate addition by fluorescence assay
50043295	1	ChEMBL_976987 (CHEMBL2416511)	Inhibition of partially purified Fischer-344 rat kidney ALR1 using D,L-glycuronate as substrate assessed as NADPH consumption by spectrophotometry
50043296	1	ChEMBL_977024 (CHEMBL2416548)	Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay
50043296	2	ChEMBL_977025 (CHEMBL2416549)	Antagonist activity at human orexin receptor 1 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay
50043296	3	ChEMBL_977032 (CHEMBL2416556)	Binding affinity to orexin receptor 2 (unknown origin)
50043296	4	ChEMBL_977031 (CHEMBL2416555)	Binding affinity to orexin receptor 1 (unknown origin)
50043297	1	ChEMBL_977209 (CHEMBL2416839)	Inhibition of horse serum BChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method
50043297	2	ChEMBL_977211 (CHEMBL2416841)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins before substrate addition by Ellman's method
50043298	1	ChEMBL_977234 (CHEMBL2416905)	Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 20 mins by LC-MS analysis
50043298	2	ChEMBL_977235 (CHEMBL2416906)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 20 mins by LC-MS analysis
50043298	3	ChEMBL_977236 (CHEMBL2416907)	Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 20 mins by LC-MS analysis
50043298	4	ChEMBL_977238 (CHEMBL2416909)	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 20 mins by LCMS analysis
50043298	5	ChEMBL_977239 (CHEMBL2416910)	Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 20 mins by LCMS analysis
50043298	6	ChEMBL_977240 (CHEMBL2416911)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation after 20 mins by LCMS analysis
50043298	7	ChEMBL_977241 (CHEMBL2416912)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS analysis
50043298	8	ChEMBL_977242 (CHEMBL2416913)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 20 mins by LC-MS analysis
50043299	1	ChEMBL_977420 (CHEMBL2417307)	Inhibition of HDAC3 (unknown origin)
50043300	1	ChEMBL_978866 (CHEMBL2423657)	Inhibition of APE-1 (unknown origin) using double-stranded AP-site containing DNA as substrate after 30 mins by fluorescence assay
50043300	2	ChEMBL_978867 (CHEMBL2423658)	Inhibition of TDP2 (unknown origin) using 4-nitrophenyl phenylphosphonate as substrate after 60 mins
50043300	3	ChEMBL_978850 (CHEMBL2423452)	Inhibition of TDP2 (unknown origin) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate after 60 mins
50043300	4	ChEMBL_978860 (CHEMBL2423651)	Inhibition of CYP1A2 (unknown origin)
50043301	1	ChEMBL_978889 (CHEMBL2423680)	Inhibition of C-terminal His-tagged NAMPT (unknown origin) expressed in Escherichia coli BL21 using nicotinamide as substrate preincubated for 15 mins before substrate addition measured after 30 mins by mass spectrometry-based assay
50043302	1	ChEMBL_979126 (CHEMBL2421741)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50043302	2	ChEMBL_978890 (CHEMBL2423681)	Inhibition of human CYP11B1
50043302	3	ChEMBL_979127 (CHEMBL2421742)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50043302	4	ChEMBL_979129 (CHEMBL2421744)	Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH
50043302	5	ChEMBL_979123 (CHEMBL2421738)	Inhibition of CYP19 in human placental microsomes using [1beta-3H]androstenedione as substrate by 3H2O-method
50043302	6	ChEMBL_979122 (CHEMBL2421737)	Inhibition of human CYP11B2
50043302	7	ChEMBL_979121 (CHEMBL2421736)	Inhibition of human CYP17
50043303	1	ChEMBL_979440 (CHEMBL2423476)	Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins
50043304	1	ChEMBL_979759 (CHEMBL2421804)	Inhibition of JAK1 (unknown origin)
50043304	2	ChEMBL_979760 (CHEMBL2421805)	Inhibition of JAK2 (unknown origin)
50043304	5	ChEMBL_979761 (CHEMBL2421806)	Inhibition of JAK3 (unknown origin)
50043304	6	ChEMBL_979732 (CHEMBL2421777)	Inhibition of CDK9 (unknown origin)
50043304	7	ChEMBL_979748 (CHEMBL2421793)	Inhibition of CYP2D6 (unknown origin)
50043304	8	ChEMBL_979749 (CHEMBL2421794)	Inhibition of CYP1A2 (unknown origin)
50043304	9	ChEMBL_979750 (CHEMBL2421795)	Inhibition of CYP2C19 (unknown origin)
50043304	10	ChEMBL_979751 (CHEMBL2421796)	Inhibition of CYP2C9 (unknown origin)
50043305	1	ChEMBL_980054 (CHEMBL2423310)	Inhibition of rat CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50043305	2	ChEMBL_980056 (CHEMBL2423312)	Inhibition of CYP2A6 (unknown origin) using coumarin as substrate
50043305	3	ChEMBL_980061 (CHEMBL2423498)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50043305	4	ChEMBL_980062 (CHEMBL2423499)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate
50043306	1	ChEMBL_980089 (CHEMBL2423526)	Inhibition of horse serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by Ellman's microplate assay
50043306	2	ChEMBL_980090 (CHEMBL2423527)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by Ellman's microplate assay
50043307	1	ChEMBL_977519 (CHEMBL2423136)	Mixed inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate by Lineweaver-Burk plot analysis
50043307	2	ChEMBL_977521 (CHEMBL2423138)	Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli using thymidine as substrate after 4 to 20 mins by spectrophotometry
50043308	1	ChEMBL_977859 (CHEMBL2421461)	Inhibition of microtubule-stimulated ATPase activity of N-terminal His-6-tagged human wild type Eg5 (1 to 368) expressed in Escherichia coli BL21 by pyruvate kinase/lactate dehydrogenase-linked assay
50043308	2	ChEMBL_977527 (CHEMBL2423144)	Binding affinity to human wild type Eg5 at 250 uM by isothermal calorimetric analysis
50043309	1	ChEMBL_978241 (CHEMBL2423610)	Inhibition of Mycobacterium tuberculosis CysK1
50043309	2	ChEMBL_978242 (CHEMBL2423611)	Competitive inhibition of Mycobacterium tuberculosis CysK1
50043309	3	ChEMBL_978239 (CHEMBL2423608)	Inhibition of Mycobacterium tuberculosis N-terminal His-6-tagged recombinant CysK1 expressed in Escherichia coli BL21 (DE3) after 20 mins by spectrophotometric analysis
50043310	1	ChEMBL_978261 (CHEMBL2423630)	Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis
50043310	2	ChEMBL_978262 (CHEMBL2423631)	Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis
50043310	3	ChEMBL_978272 (CHEMBL2423641)	Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay
50043311	1	ChEMBL_978590 (CHEMBL2422107)	Inhibition of human glutaminyl cyclase expressed in Escherichia coli DH5alpha using H-Gln-AMC as substrate by fluorometric analysis in presence of pyroglutamyl aminopeptidase
50043312	1	ChEMBL_978640 (CHEMBL2422303)	Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay
50043312	2	ChEMBL_978642 (CHEMBL2422305)	Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed as carbachol-stimulated Ca2+/Na+ influx after 10 mins by FLIPR assay
50043312	3	ChEMBL_978615 (CHEMBL2422132)	Inhibition of TRPV4 (unknown origin) by FLIPR assay
50043312	4	ChEMBL_978618 (CHEMBL2422135)	Inhibition of TRPV1 (unknown origin) by FLIPR assay
50043312	5	ChEMBL_978617 (CHEMBL2422134)	Inhibition of TRPA1 (unknown origin) by FLIPR assay
50043313	1	ChEMBL_978892 (CHEMBL2423683)	Inhibition of human arginase-2 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay
50043313	2	ChEMBL_978893 (CHEMBL2423684)	Inhibition of human arginase-1 assessed as L-arginine conversion to L-ornithine measured as urea level after 1 hr by colorimetric assay
50043314	1	ChEMBL_979178 (CHEMBL2421978)	Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate incubated for 10 mins prior to substrate addition measured after 90 mins by fluorescence assay
50043314	2	ChEMBL_978947 (CHEMBL2424138)	Inhibition of human plasma renin by competitive radioimmunoassay
50043314	3	ChEMBL_979177 (CHEMBL2421977)	Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay
50043315	1	ChEMBL_980137 (CHEMBL2423971)	Inhibition of rabbit muscle GAPDH assessed as residual enzyme activity after 60 mins by spectrophotometry
50043316	1	ChEMBL_980439 (CHEMBL2422055)	Inhibition of MT-stimulated ATPase activity of wild type Eg5 (unknown origin)
50043317	1	ChEMBL_980713 (CHEMBL2423795)	Agonist activity at human TLR8 expressed in HEK293 cells co-transfected with MD2 and sAP assessed as induction of NF-kappaB activity by reporter gene assay
50043318	1	ChEMBL_980723 (CHEMBL2424010)	Antagonist activity at human P2Y12 receptor assessed as inhibition of fibrinogen-induced platelet aggregation by washed platelet assay
50043318	2	ChEMBL_980736 (CHEMBL2424023)	Inhibition of human recombinant CYP2C9
50043318	3	ChEMBL_977530 (CHEMBL2423147)	Antagonist activity at P2Y12 receptor in human whole blood assessed as inhibition of ADP-induced platelet aggregation after 5 mins by residual platelet count assay
50043318	4	ChEMBL_977531 (CHEMBL2423148)	Antagonist activity at P2Y12 receptor (unknown origin) expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50043318	5	ChEMBL_977532 (CHEMBL2423149)	Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) expressed in CHO cell membrane after 1 hr by scintillation counting analysis
50043319	1	ChEMBL_977567 (CHEMBL2423349)	Inhibition of human NAMPT using NAM/PRPP as substrate incubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrometric analysis
50043319	2	ChEMBL_977558 (CHEMBL2423175)	Inhibition of CYP2C9 in human liver microsomes using (S)- warfarin as substrate by LC-MS/MS analysis
50043319	3	ChEMBL_977557 (CHEMBL2423174)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate by LC-MS/MS analysis
50043319	4	ChEMBL_977560 (CHEMBL2423177)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50043319	5	ChEMBL_977559 (CHEMBL2423176)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50043320	1	ChEMBL_977575 (CHEMBL2423357)	Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells
50043320	2	ChEMBL_977574 (CHEMBL2423356)	Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cells
50043321	1	ChEMBL_978317 (CHEMBL2424098)	Inhibition of human t-PA
50043321	2	ChEMBL_978316 (CHEMBL2424097)	Inhibition of human plasmin
50043321	3	ChEMBL_978319 (CHEMBL2424100)	Inhibition of human factor 10a
50043322	1	ChEMBL_978658 (CHEMBL2422321)	Inhibition of Abl (unknown origin)
50043322	2	ChEMBL_978661 (CHEMBL2422324)	Inhibition of PDGFRbeta (unknown origin)
50043323	1	ChEMBL_979586 (CHEMBL2424397)	Inhibition of recombinant human dUTPase expressed in Escherichia coli BL21 (DE3) using dUTP as substrate by spectrophotometric analysis
50043324	1	ChEMBL_979852 (CHEMBL2422395)	Inhibition of human recombinant IRAP expressed in HeLa cells assessed as L-Leucine-7-amido-4-methyl coumarin hydrolysis to 7-amido-4-methyl coumarin after 5 to 10 mins by fluorescence assay
50043324	2	ChEMBL_979853 (CHEMBL2422396)	Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus-infected Hi5 insect cells assessed as L-Arginyl-7-amido-4-methyl coumarin hydrolysis to 7-amido-4-methyl coumarin after 5 to 10 mins by fluorescence assay
50043324	3	ChEMBL_979854 (CHEMBL2422397)	Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus-infected Hi5 insect cells assessed as L-Leucine-7-amido-4-methyl coumarin hydrolysis to 7-amido-4-methyl coumarin after 5 to 10 mins by fluorescence assay
50043325	1	ChEMBL_979855 (CHEMBL2422398)	Inhibition of Fas-mediated cell death in oxygen and glucose deprived rat H9c2 cells treated 30 mins before oxygen and glucose deprivation measured after 6 hrs by DAPI staining
50043326	3	ChEMBL_980165 (CHEMBL2423999)	Activation of recombinant human GIRK1/4 expressed in Xenopus oocytes by two-electrode voltage clamp method
50043326	4	ChEMBL_980174 (CHEMBL2424212)	Activation of recombinant human GIRK1/2 expressed in Xenopus oocytes by two-electrode voltage clamp method
50043326	5	ChEMBL_980171 (CHEMBL2424209)	Activation of GIRK1/4 (unknown origin) transfected in HEK293 cells after 4 mins by thallium flux-based fluorescence assay
50043326	6	ChEMBL_980173 (CHEMBL2424211)	Activation of GIRK1/2 (unknown origin) transfected in HEK293 cells after 4 mins by thallium flux-based fluorescence assay
50043327	1	ChEMBL_980178 (CHEMBL2424216)	Inhibition of MAST3 in human HuH7 cell lysates
50043328	1	ChEMBL_977605 (CHEMBL2423572)	Inhibition of human CK1 delta transfected in african green monkey cos7 cells after overnight incubation by whole cell assay
50043328	2	ChEMBL_977606 (CHEMBL2423573)	Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis
50043328	3	ChEMBL_977607 (CHEMBL2423574)	Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis
50043329	1	ChEMBL_977623 (CHEMBL2423590)	Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis
50043329	2	ChEMBL_977624 (CHEMBL2423591)	Inhibition of SUMO E1 (unknown origin) assessed as SUMO E1-SUMO thioester bond formation
50043330	1	ChEMBL_977647 (CHEMBL2423805)	Displacement of [3H]spiperone from human dopamine D2 receptor
50043331	1	ChEMBL_978336 (CHEMBL2424117)	Inhibition of ABL (unknown origin) by microfluidic mobility shift assay
50043331	2	ChEMBL_978344 (CHEMBL2424125)	Inhibition of AURA (unknown origin) by microfluidic mobility shift assay
50043331	3	ChEMBL_978346 (CHEMBL2424127)	Inhibition of RSK1 (unknown origin) by microfluidic mobility shift assay
50043331	4	ChEMBL_978347 (CHEMBL2424128)	Inhibition of MSK1 (unknown origin) by microfluidic mobility shift assay
50043331	5	ChEMBL_978349 (CHEMBL2424130)	Inhibition of AKT1 (unknown origin) by microfluidic mobility shift assay
50043331	6	ChEMBL_978350 (CHEMBL2424131)	Inhibition of CHK1 (unknown origin) by Z'-Lyte assay
50043331	7	ChEMBL_978338 (CHEMBL2424119)	Inhibition of ERK2 (unknown origin) by microfluidic mobility shift assay
50043331	8	ChEMBL_978340 (CHEMBL2424121)	Inhibition of CHK2 (unknown origin) by microfluidic mobility shift assay
50043331	9	ChEMBL_978342 (CHEMBL2424123)	Inhibition of PKD2 (unknown origin) by microfluidic mobility shift assay
50043331	10	ChEMBL_978341 (CHEMBL2424122)	Inhibition of PRAK (unknown origin) by microfluidic mobility shift assay
50043331	11	ChEMBL_978330 (CHEMBL2424111)	Inhibition of CK1delta (unknown origin) by microfluidic mobility shift assay
50043331	12	ChEMBL_978331 (CHEMBL2424112)	Inhibition of MET (unknown origin) by microfluidic mobility shift assay
50043332	1	ChEMBL_978758 (CHEMBL2423001)	Inhibition of human recombinant His-tagged SIRT3 using KI179 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by fluorescence assay
50043332	2	ChEMBL_978759 (CHEMBL2423002)	Inhibition of human recombinant GST-tagged SIRT2 using KI179 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by fluorescence assay
50043332	3	ChEMBL_978761 (CHEMBL2423004)	Inhibition of human recombinant GST-tagged SIRT1 using KI177 as substrate preincubated for 5 mins followed by enzyme addition measured after 1 hr by fluorescence assay
50043333	1	ChEMBL_979039 (CHEMBL2421092)	Inhibition of human tissue plasminogen activator using spectrozyme tissue plasminogen activator as substrate after 3 mins
50043333	2	ChEMBL_979043 (CHEMBL2421096)	Inhibition of human F11a using S-2366 as substrate after 3 mins
50043333	3	ChEMBL_979044 (CHEMBL2421097)	Inhibition of human F10a using S-2222 as substrate after 3 mins
50043333	4	ChEMBL_979046 (CHEMBL2421099)	Inhibition of human F7a using D-Ile-Pro-Arg-AFC as substrate after 3 mins
50043334	1	ChEMBL_979052 (CHEMBL2421105)	Inhibition of CDK5/p25 (unknown origin)-mediated incorporation of gamma33P into substrate after 20 mins by scintillation counting analysis in presence of 33P-ATP
50043334	2	ChEMBL_979053 (CHEMBL2421106)	Inhibition of CDK5/p25 (unknown origin) after 30 mins by SDS-PAGE analysis
50043335	1	ChEMBL_979064 (CHEMBL2421323)	Displacement of biotinyl-Smac from N-terminal His-tagged human recombinant XIAP BIR3 domain (252-356) after overnight incubation by HTRF assay
50043336	1	ChEMBL_979349 (CHEMBL2423040)	Inhibition of recombinant Staphylococcus aureus FtsZ GTPase activity expressed in Escherichia coli BL21 (DE3) assessed as production of inorganic phosphate after 20 mins by malachite green-phosphomolybdate colorimetric assay
50043336	2	ChEMBL_979339 (CHEMBL2422851)	Inhibition of Bacillus subtilis FtsZ GTPase activity assessed as production of inorganic phosphate measured up to 60 mins by malachite green-phosphomolybdate colorimetric assay
50043337	1	ChEMBL_979609 (CHEMBL2424420)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins prior to substrate addition by Ellman's method
50043337	2	ChEMBL_979355 (CHEMBL2423046)	Mixed-type inhibition of equine serum BChE using butylthiocholine chloride as substrate by Lineweaver-Burk plot analysis
50043337	3	ChEMBL_979356 (CHEMBL2423047)	Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate by Lineweaver-Burk plot analysis
50043337	4	ChEMBL_979608 (CHEMBL2424419)	Inhibition of equine serum BChE using butylthiocholine chloride as substrate preincubated for 15 mins prior to substrate addition by Ellman's method
50043338	1	ChEMBL_979638 (CHEMBL2421130)	Inhibition of human recombinant mTOR (1360-2549) expressed in insect cells assessed as phosphorylation of recombinant (GFP)-4-EBP1 after 30 mins by LanthaScreen FRET assay
50043338	2	ChEMBL_979627 (CHEMBL2421119)	Inhibition of mTOR (unknown origin)
50043338	3	ChEMBL_979637 (CHEMBL2421129)	Displacement of TAMRA-PIP3 from PI3Kalpha GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after 30 mins by fluorescence polarization assay
50043338	4	ChEMBL_979636 (CHEMBL2421128)	Displacement of TAMRA-PIP3 from PI3Kdelta GRP-1 pleckstrin homology domain (unknown origin) assessed as formation of 3,4,5-inositoltriphosphate after 30 mins by fluorescence polarization assay
50043338	5	ChEMBL_979630 (CHEMBL2421122)	Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of p70S6K phosphorylation
50043338	6	ChEMBL_979631 (CHEMBL2421123)	Inhibition of mTOR in PTEN deficient human PC3 cells assessed as inhibition of Akt phosphorylation at Ser473
50043339	1	ChEMBL_979640 (CHEMBL2421132)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH
50043339	2	ChEMBL_979639 (CHEMBL2421131)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH
50043339	3	ChEMBL_979642 (CHEMBL2421134)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH
50043339	5	ChEMBL_979659 (CHEMBL2421151)	Negative allosteric modulation of human mGlu1 receptor expressed in HEK293A TREx cells assessed as calcium flux after 45 mins
50043340	1	ChEMBL_979933 (CHEMBL2422666)	Inhibition of CDK5 (unknown origin)
50043340	2	ChEMBL_979936 (CHEMBL2422669)	Inhibition of FLT3 (unknown origin)
50043340	3	ChEMBL_979938 (CHEMBL2422671)	Inhibition of MAPKAPK5 (unknown origin)
50043340	4	ChEMBL_979937 (CHEMBL2422670)	Inhibition of JAK3 (unknown origin)
50043340	5	ChEMBL_979939 (CHEMBL2422672)	Inhibition of CDK9 (unknown origin)
50043340	6	ChEMBL_979924 (CHEMBL2422657)	Inhibition of PIM1 (unknown origin)
50043340	7	ChEMBL_979926 (CHEMBL2422659)	Inhibition of ALK (unknown origin)
50043340	8	ChEMBL_979925 (CHEMBL2422658)	Inhibition of PDGFRA (unknown origin)
50043340	9	ChEMBL_979928 (CHEMBL2422661)	Inhibition of AURKA (unknown origin)
50043340	10	ChEMBL_979927 (CHEMBL2422660)	Inhibition of MET (unknown origin)
50043340	11	ChEMBL_979930 (CHEMBL2422663)	Inhibition of CSF1R (unknown origin)
50043340	12	ChEMBL_979929 (CHEMBL2422662)	Inhibition of PTK2 (unknown origin)
50043340	13	ChEMBL_979932 (CHEMBL2422665)	Inhibition of ABL1 (unknown origin)
50043341	1	ChEMBL_979985 (CHEMBL2423068)	Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Lineweaver-Burk plot method
50043342	1	ChEMBL_980225 (CHEMBL2424447)	Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry
50043342	2	ChEMBL_980226 (CHEMBL2424448)	Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry
50043343	1	ChEMBL_980234 (CHEMBL2424456)	Agonist activity at OX2 receptor (unknown origin) expressed in RD-HGA16 cells assessed as calcium mobilization by fluorescence assay
50043343	2	ChEMBL_980235 (CHEMBL2424457)	Agonist activity at OX1 receptor (unknown origin) expressed in RD-HGA16 cells assessed as calcium mobilization by fluorescence assay
50043343	3	ChEMBL_980236 (CHEMBL2424458)	Antagonist activity at OX2 receptor (unknown origin)
50043343	4	ChEMBL_980238 (CHEMBL2421153)	Antagonist activity at OX1 receptor (unknown origin)
50043344	1	ChEMBL_980258 (CHEMBL2421173)	Inhibition of SHP2 (unknown origin)
50043344	2	ChEMBL_980257 (CHEMBL2421172)	Inhibition of SHP1 (unknown origin)
50043344	3	ChEMBL_980259 (CHEMBL2421174)	Inhibition of TCPTP (unknown origin)
50043344	4	ChEMBL_980256 (CHEMBL2421171)	Inhibition of LAR (unknown origin)
50043344	5	ChEMBL_980260 (CHEMBL2421175)	Inhibition of PTP1B (unknown origin)
50043345	1	ChEMBL_977683 (CHEMBL2423841)	Displacement of [3H]-Dexamethasone human GR expressed in 293 cells after 16 hrs by scintillation counting
50043345	2	ChEMBL_977677 (CHEMBL2423835)	Antagonist activity at MR (unknown origin) expressed in COS1 cells after 1 day by luciferase reporter gene assay
50043345	3	ChEMBL_977680 (CHEMBL2423838)	Displacement of [3H]-Aldosterone from human MR expressed in 293 cells after 16 hrs by scintillation counting
50043345	4	ChEMBL_977681 (CHEMBL2423839)	Displacement of [3H]-Progesterone from human PR expressed in 293 cells after 16 hrs by scintillation counting
50043345	5	ChEMBL_977682 (CHEMBL2423840)	Displacement of [3H]-Testosterone from human AR expressed in 293 cells after 16 hrs by scintillation counting
50043346	1	ChEMBL_977708 (CHEMBL2424065)	Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay
50043346	2	ChEMBL_977709 (CHEMBL2424066)	Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay
50043346	3	ChEMBL_977712 (CHEMBL2424069)	Binding affinity to recombinant human Trap-1 by fluorescence polarization assay
50043346	4	ChEMBL_977713 (CHEMBL2424070)	Binding affinity to dog Grp94 by fluorescence polarization assay
50043347	1	ChEMBL_978105 (CHEMBL2422747)	Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting analysis in presence of NaH[14C]O3
50043347	2	ChEMBL_978106 (CHEMBL2422748)	Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting analysis in presence of NaH[14C]O3
50043348	1	ChEMBL_978417 (CHEMBL2421059)	Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by UPLC-MS analysis
50043348	2	ChEMBL_978418 (CHEMBL2421060)	Inhibition of recombinant rat lung NAAA enzyme using heptadecenoylethanolamide as substrate by LC/MS analysis
50043348	3	ChEMBL_978419 (CHEMBL2421061)	Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells
50043349	1	ChEMBL_977747 (CHEMBL2424294)	Inhibition of HDAC3 (unknown origin)
50043349	2	ChEMBL_977733 (CHEMBL2424280)	Inhibition of HDAC3 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay
50043349	3	ChEMBL_977739 (CHEMBL2424286)	Inhibition of His-6-tagged full length HDAC3 (unknown origin) expressed in sf9 cells and co-expressed in SMRT gene (395 to 489) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay
50043349	4	ChEMBL_977770 (CHEMBL2424317)	Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc from p53 as substrate
50043349	5	ChEMBL_977759 (CHEMBL2424306)	Inhibition of HDAC3 (unknown origin) using fluorophore tripeptide as substrate after 30 mins
50043350	1	ChEMBL_977781 (CHEMBL2421002)	Inhibition of NAMPT (unknown origin)
50043350	2	ChEMBL_977787 (CHEMBL2421008)	Inhibition of recombinant his-tagged NAMPT (unknown origin) expressed in Escherichia coli after 30 mins
50043350	3	ChEMBL_977788 (CHEMBL2421009)	Binding affinity to NAMPT (unknown origin)
50043350	4	ChEMBL_977790 (CHEMBL2421011)	Noncompetitive inhibition of NAMPT (unknown origin)
50043351	1	ChEMBL_979084 (CHEMBL2421540)	Inhibition of alphaVbeta3 integrin-mediated human SK-MEL-24 cell adhesion to fibronectin incubated for 30 mins before plating measured after 1 hr
50043351	2	ChEMBL_979083 (CHEMBL2421342)	Inhibition of alpha5beta1 integrin-mediated human K562 cell adhesion to fibronectin incubated for 30 mins before plating measured after 1 hr
50043352	1	ChEMBL_979085 (CHEMBL2421541)	Non-competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis
50043352	2	ChEMBL_979086 (CHEMBL2421542)	Competitive inhibition of rat intestine sucrase using sucrose as substrate by Lineweaver-Burk plot analysis
50043352	3	ChEMBL_979087 (CHEMBL2421543)	Non-competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis
50043352	4	ChEMBL_979088 (CHEMBL2421544)	Competitive inhibition of rat intestine maltase using maltose as substrate by Lineweaver-Burk plot analysis
50043352	5	ChEMBL_979092 (CHEMBL2421548)	Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose oxidase colorimetric method
50043352	6	ChEMBL_979094 (CHEMBL2421550)	Inhibition of rat intestine maltase using maltose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose oxidase colorimetric method
50043353	1	ChEMBL_979386 (CHEMBL2423245)	Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 measured every 2 mins by FRET assay
50043353	2	ChEMBL_979385 (CHEMBL2423244)	Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis
50043353	3	ChEMBL_979383 (CHEMBL2423242)	Activation of C-terminal FLAG-tagged human recombinant autotaxin using paranitrophenyl thymidine monophosphate as substrate measured every 2 mins by FRET assay
50043354	1	ChEMBL_979413 (CHEMBL2423272)	Inhibition of VPS34 (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay
50043354	2	ChEMBL_979415 (CHEMBL2423274)	Inhibition of PI3Kdelta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay
50043354	3	ChEMBL_979417 (CHEMBL2423276)	Inhibition of PI3Kbeta (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay
50043354	4	ChEMBL_979416 (CHEMBL2423275)	Inhibition of PI3Kgamma (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay
50043354	5	ChEMBL_979419 (CHEMBL2423278)	Inhibition of PI3Kalpha (unknown origin) using 1alpha-phosphotidylinositol by luminescence assay
50043354	6	ChEMBL_979671 (CHEMBL2421354)	Inhibition of PI3Kalpha (unknown origin) using [gamma33P]ATP as substrate by top counting analysis
50043354	7	ChEMBL_979390 (CHEMBL2423249)	Inhibition of CYP2C19 (unknown origin)
50043354	8	ChEMBL_979389 (CHEMBL2423248)	Inhibition of CYP2C9 (unknown origin)
50043354	9	ChEMBL_979392 (CHEMBL2423251)	Inhibition of CYP2D6 (unknown origin)
50043354	10	ChEMBL_979391 (CHEMBL2423250)	Inhibition of CYP1A2 (unknown origin)
50043355	1	ChEMBL_979992 (CHEMBL2423075)	Binding affinity to NPC1 (unknown origin)
50043356	1	ChEMBL_980599 (CHEMBL2423116)	Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillation counting analysis
50043356	2	ChEMBL_980323 (CHEMBL2421620)	Inhibition of GlyT1 in human SK-N-MC cells
50043356	3	ChEMBL_980598 (CHEMBL2423115)	Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis
50043357	1	ChEMBL_980906 (CHEMBL2421441)	Inhibition of c-MET (unknown origin) using poly(Glu,Tyr) as substrate after 30 mins by HTRF assay
50043357	2	ChEMBL_980893 (CHEMBL2421428)	Inhibition of FLT-3 (unknown origin) using poly(Glu,Tyr) as substrate after 30 mins by HTRF assay
50043357	3	ChEMBL_980895 (CHEMBL2421430)	Inhibition of PDGFRalpha (unknown origin) using poly(Glu,Tyr) as substrate after 30 mins by HTRF assay
50043357	4	ChEMBL_980897 (CHEMBL2421432)	Inhibition of RON (unknown origin) using poly(Glu,Tyr) as substrate after 30 mins by HTRF assay
50043358	1	ChEMBL_977441 (CHEMBL2422476)	Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin
50043358	2	ChEMBL_977442 (CHEMBL2422477)	Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis
50043358	3	ChEMBL_977443 (CHEMBL2422478)	Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis
50043359	1	ChEMBL_978181 (CHEMBL2423189)	Inhibition of recombinant human HGPRT expressed in Escherichia coli Sphi606 cells by spectrophotometric analysis
50043360	1	ChEMBL_978197 (CHEMBL2423205)	Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition measured after 120 mins by flow cytometry
50043360	2	ChEMBL_978199 (CHEMBL2423207)	Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition measured after 120 mins by fluorescence assay
50043360	3	ChEMBL_978191 (CHEMBL2423199)	Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as calcein-AM accumulation preincubated for 30 mins before calcein-AM addition measured up to 90 mins by fluorescence assay
50002447	6	ChEMBL_1764202 (CHEMBL4199449)	Inhibition of human HDAC1 using RHKKAc peptide as substrate
50002449	1	ChEMBL_1764258 (CHEMBL4199505)	Inhibition of BTK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay
50002449	2	ChEMBL_1764256 (CHEMBL4199503)	Inhibition of ITK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay
50002449	3	ChEMBL_1764257 (CHEMBL4199504)	Inhibition of TXK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay
50043361	4	ChEMBL_978823 (CHEMBL2423425)	Inhibition of PI-3K gamma (unknown origin)
50043361	5	ChEMBL_978825 (CHEMBL2423427)	Inhibition of PI-3K alpha (unknown origin)
50043361	6	ChEMBL_978824 (CHEMBL2423426)	Inhibition of PI-3K beta (unknown origin)
50043361	7	ChEMBL_978822 (CHEMBL2423424)	Inhibition of PI-3K delta (unknown origin)
50043361	8	ChEMBL_978828 (CHEMBL2423430)	Inhibition of ATM (unknown origin)
50043361	9	ChEMBL_978827 (CHEMBL2423429)	Inhibition of ATR (unknown origin)
50043361	10	ChEMBL_978826 (CHEMBL2423428)	Inhibition of mTOR (unknown origin)
50043361	11	ChEMBL_978835 (CHEMBL2423437)	Inhibition of CYP1A2 (unknown origin)
50043361	12	ChEMBL_978836 (CHEMBL2423438)	Inhibition of CYP2C19 (unknown origin)
50043361	13	ChEMBL_978838 (CHEMBL2423440)	Inhibition of CYP2C9 (unknown origin)
50043361	14	ChEMBL_978837 (CHEMBL2423439)	Inhibition of CYP2D6 (unknown origin)
50043362	1	ChEMBL_981524 (CHEMBL2428823)	Non-competitive reversible inhibition of human PTP1B
50043363	1	ChEMBL_981825 (CHEMBL2427204)	Inhibition of human recombinant soluble epoxide hydrolase using (3-phenyl-oxiranyl)-acetic acid cyano-(6-methoxy-naphtalen-2-yl)-methyl ester as substrate incubated for 15 mins prior to substrate addition by fluorescence assay
50043364	1	ChEMBL_982135 (CHEMBL2428850)	Antagonist activity at AT1 receptor in rabbit aorta membranes
50043365	1	ChEMBL_981601 (CHEMBL2429128)	Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10 mins by spectrometric analysis
50043366	1	ChEMBL_981893 (CHEMBL2427588)	Inhibition of human glucagon receptor expressed in CHO cell membranes by radioligand displacement assay
50043367	1	ChEMBL_982266 (CHEMBL2429333)	Inhibition of CYP2C9 (unknown origin)
50043367	2	ChEMBL_982223 (CHEMBL2429166)	Binding affinity to TTK (unknown origin)
50043367	3	ChEMBL_982224 (CHEMBL2429167)	Binding affinity to STK16 (unknown origin)
50043367	4	ChEMBL_982226 (CHEMBL2429169)	Binding affinity to SNARK (unknown origin)
50043367	5	ChEMBL_982225 (CHEMBL2429168)	Binding affinity to SgK085 (unknown origin)
50043367	6	ChEMBL_982227 (CHEMBL2429170)	Binding affinity to RPS6KA1 (unknown origin)
50043367	7	ChEMBL_982229 (CHEMBL2429172)	Binding affinity to PRKR (unknown origin)
50043367	8	ChEMBL_982228 (CHEMBL2429171)	Binding affinity to PDGFRB (unknown origin)
50043367	9	ChEMBL_982233 (CHEMBL2429176)	Binding affinity to NEK7 (unknown origin)
50043367	10	ChEMBL_982232 (CHEMBL2429175)	Binding affinity to NEK5 (unknown origin)
50043367	11	ChEMBL_982235 (CHEMBL2429178)	Binding affinity to NEK1 (unknown origin)
50043367	12	ChEMBL_982234 (CHEMBL2429177)	Binding affinity to MKNK1 (unknown origin)
50043367	13	ChEMBL_982237 (CHEMBL2429180)	Binding affinity to MEK6 (unknown origin)
50043367	14	ChEMBL_982236 (CHEMBL2429179)	Binding affinity to MEK4 (unknown origin)
50043367	15	ChEMBL_982239 (CHEMBL2429182)	Binding affinity to LIMK2 (unknown origin)
50043367	16	ChEMBL_982238 (CHEMBL2429181)	Binding affinity to LIMK1 (unknown origin)
50043367	17	ChEMBL_982246 (CHEMBL2429313)	Binding affinity to ERK8 (unknown origin)
50043367	18	ChEMBL_982247 (CHEMBL2429314)	Binding affinity to ERK5 (unknown origin)
50043367	19	ChEMBL_982248 (CHEMBL2429315)	Binding affinity to ERK4 (unknown origin)
50043367	20	ChEMBL_982249 (CHEMBL2429316)	Binding affinity to ERK3 (unknown origin)
50043367	21	ChEMBL_982250 (CHEMBL2429317)	Binding affinity to ERK2 (unknown origin)
50043367	22	ChEMBL_982252 (CHEMBL2429319)	Binding affinity to DRAK1 (unknown origin)
50043367	23	ChEMBL_982253 (CHEMBL2429320)	Binding affinity to DCAMKL3 (unknown origin)
50043367	24	ChEMBL_982254 (CHEMBL2429321)	Binding affinity to DAPK3 (unknown origin)
50043367	25	ChEMBL_982255 (CHEMBL2429322)	Binding affinity to DAPK2 (unknown origin)
50043367	26	ChEMBL_982256 (CHEMBL2429323)	Binding affinity to DAPK1 (unknown origin)
50043367	27	ChEMBL_982257 (CHEMBL2429324)	Binding affinity to CIT (unknown origin)
50043367	28	ChEMBL_982258 (CHEMBL2429325)	Binding affinity to CDK7 (unknown origin)
50043367	29	ChEMBL_982259 (CHEMBL2429326)	Binding affinity to CDC2L2 (unknown origin)
50043367	30	ChEMBL_982260 (CHEMBL2429327)	Binding affinity to CDC2L1 (unknown origin)
50043367	31	ChEMBL_982264 (CHEMBL2429331)	Binding affinity to CAMK1G (unknown origin)
50043367	32	ChEMBL_982263 (CHEMBL2429330)	Binding affinity to CAMK1D (unknown origin)
50043367	33	ChEMBL_982262 (CHEMBL2429329)	Binding affinity to CAMK1 (unknown origin)
50043367	34	ChEMBL_982261 (CHEMBL2429328)	Binding affinity to ADCK4 (unknown origin)
50043367	35	ChEMBL_982271 (CHEMBL2429338)	Binding affinity to ADCK3 (unknown origin)
50043367	36	ChEMBL_981896 (CHEMBL2427769)	Inhibition of human recombinant human CDK1/GST-tagged cyclin B expressed in baculovirus infected insect cells assessed as inhibition of 6XHis-tagged retinoblastoma protein (386 to 928) phosphorylation after 30 mins by scintillation counting analysis in presence of [gamma-33P]-ATP
50043368	1	ChEMBL_982507 (CHEMBL2427815)	Inhibition of estrogen binding to GPR30 (unknown origin)
50043368	2	ChEMBL_982508 (CHEMBL2427816)	Agonist activity at GPR30 (unknown origin) by calcium mobilization assay
50043369	1	ChEMBL_982718 (CHEMBL2428738)	Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50043369	2	ChEMBL_982717 (CHEMBL2428737)	Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50043370	1	ChEMBL_982731 (CHEMBL2428871)	Inhibition of PARP2 (unknown origin) after 60 mins by LC-MS analysis
50043370	2	ChEMBL_982743 (CHEMBL2428883)	Inhibition of human PARP1 after 60 mins by LC-MS analysis
50043371	1	ChEMBL_982934 (CHEMBL2429574)	Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis
50043371	2	ChEMBL_983063 (CHEMBL2427423)	Antagonist activity at human GPR35 expressed in human HT29 cells after 1 hr by DMR assay
50043371	3	ChEMBL_983065 (CHEMBL2427425)	Antagonist activity at human Gal4-VP16 fused GPR35 expressed in human U2OS cells assessed as beta arrestin translocation by reporter gene assay
50043371	4	ChEMBL_983064 (CHEMBL2427424)	Agonist activity at human GPR35 expressed in human HT29 cells by DMR assay
50043371	5	ChEMBL_983066 (CHEMBL2427426)	Agonist activity at human GPR35 expressed in HT29 cells by beta-arrestin translocation assay
50043371	6	ChEMBL_983067 (CHEMBL2427427)	Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assay
50043371	7	ChEMBL_983069 (CHEMBL2427429)	Agonist activity at human GPR35 by Ca+2 release assay
50043371	8	ChEMBL_983068 (CHEMBL2427428)	Agonist activity at human GPR35 expressed in CHO cells assessed as increase in intracellular Ca2+ measured over 20 secs by Aequorin assay
50043371	9	ChEMBL_983070 (CHEMBL2427430)	Agonist activity at human GPR35 by DMR assay
50043371	10	ChEMBL_982935 (CHEMBL2429575)	Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of CaCl2
50043371	11	ChEMBL_982936 (CHEMBL2429576)	Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of MgCl2
50043371	12	ChEMBL_982937 (CHEMBL2429577)	Binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in absence of MgCl2, NaCl, CaCl2
50043371	13	ChEMBL_982942 (CHEMBL2426879)	Binding affinity to human recombinant GPR35 expressed in CHO cells after 150 mins by liquid scintillation counting analysis
50043371	14	ChEMBL_982932 (CHEMBL2429572)	Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment assay
50043371	15	ChEMBL_982930 (CHEMBL2429570)	Antagonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment assay
50043372	1	ChEMBL_983475 (CHEMBL2429410)	Inhibition of CYP1A2 (unknown origin) using 3-cyano-7-ethoxycoumarin as substrate
50043372	2	ChEMBL_983476 (CHEMBL2429411)	Inhibition of CYP2D6 (unknown origin) using 3-cyano-7-ethoxycoumarin as substrate
50043372	3	ChEMBL_983629 (CHEMBL2427284)	Inhibition of CYP2C19 (unknown origin) using 3-cyano-7-ethoxycoumarin as substrate
50043372	4	ChEMBL_983477 (CHEMBL2429412)	Inhibition of CYP2C9 (unknown origin) using Vivid OOMR as substrate
50043373	1	ChEMBL_983746 (CHEMBL2427899)	Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043373	2	ChEMBL_983749 (CHEMBL2427902)	Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043373	3	ChEMBL_983748 (CHEMBL2427901)	Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043373	4	ChEMBL_983747 (CHEMBL2427900)	Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043373	5	ChEMBL_983632 (CHEMBL2427287)	Inhibition of NMDA GluN2D receptor (unknown origin)
50043373	6	ChEMBL_983652 (CHEMBL2427307)	Inhibition of histamine H2 receptor (unknown origin)
50043374	1	ChEMBL_983761 (CHEMBL2427914)	Agonist activity at mineralocorticoid receptor in human A549 cells by fluorescence assay
50043374	2	ChEMBL_983763 (CHEMBL2427916)	Binding affinity to progesterone receptor (unknown origin) by fluorescence assay
50043374	3	ChEMBL_983762 (CHEMBL2427915)	Binding affinity to androgen receptor (unknown origin) by fluorescence assay
50043374	4	ChEMBL_983764 (CHEMBL2427917)	Transactivation activity at glucocorticoid receptor ligand binding domain (unknown origin) expressed in human Hela cells co-expressing GAL4 DNA binding domain assessed as NP-1-stimulated GRE activation by luciferase reporter gene assay
50043374	5	ChEMBL_983767 (CHEMBL2427920)	Transrepression activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL1beta-stimulated NFkappaB-dependent E-selectin transcription by luciferase reporter gene assay
50043374	6	ChEMBL_983769 (CHEMBL2428108)	Transrepression activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-stimulated AP1 response element by luciferase reporter gene assay
50043374	7	ChEMBL_983770 (CHEMBL2428109)	Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay
50043375	1	ChEMBL_983771 (CHEMBL2428110)	Inhibition of spleen tyrosine kinase (unknown origin)
50043376	1	ChEMBL_983772 (CHEMBL2428111)	Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (DE3) by surface plasmon resonance spectroscopic analysis
50043376	2	ChEMBL_980938 (CHEMBL2427491)	Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in Eschericia coli DH5-alpha assessed as inhibition of PQS-induced protein activation by beta-galactosidase reporter gene assay
50043376	3	ChEMBL_980937 (CHEMBL2427490)	Antagonist activity at Pseudomonas aeruginosa PA14 PqsR expressed in pqs gene-deficient Pseudomonas aeruginosa PA14 by beta-galactosidase reporter gene assay
50043376	4	ChEMBL_980942 (CHEMBL2427495)	Binding affinity to Pseudomonas aeruginosa PA14 biotinylated His6SUMO-tagged PqsR expressed in Eschericia coli BL21 (lamda DE3) by isothermal titration calorimetry
50043377	1	ChEMBL_981180 (CHEMBL2427173)	Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP
50043377	2	ChEMBL_981181 (CHEMBL2427321)	Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP
50043377	3	ChEMBL_981182 (CHEMBL2427322)	Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP
50043377	4	ChEMBL_981183 (CHEMBL2427323)	Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP
50043378	1	ChEMBL_981694 (CHEMBL2429676)	Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake
50043378	2	ChEMBL_981695 (CHEMBL2429677)	Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake
50043378	3	ChEMBL_981462 (CHEMBL2428640)	Inhibition of dCK (unknown origin) by steady-state kinetic assay
50043379	1	ChEMBL_981744 (CHEMBL2426825)	Positive allosteric modulation of human mGlu1 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043379	2	ChEMBL_981749 (CHEMBL2426830)	Positive allosteric modulation of human mGluR5a transfected in HEK293 cells by calcium mobilization assay
50043379	3	ChEMBL_981743 (CHEMBL2426824)	Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043379	4	ChEMBL_981741 (CHEMBL2426822)	Positive allosteric modulation of human mGlu3 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043379	5	ChEMBL_981742 (CHEMBL2426823)	Positive allosteric modulation of human mGlu4 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043379	6	ChEMBL_981738 (CHEMBL2426819)	Positive allosteric modulation of human mGlu8 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043379	7	ChEMBL_981739 (CHEMBL2426820)	Positive allosteric modulation of human mGlu7 receptor expressed in HEK293 cells by fluorescent Ca2+ assay
50043380	1	ChEMBL_982007 (CHEMBL2428211)	Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of IL-1beta-induced NF-kappaB dependent E-selectin activation by luciferase reporter gene assay
50043380	2	ChEMBL_982006 (CHEMBL2428210)	Agonist activity at glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activation by luciferase reporter gene assay
50043380	3	ChEMBL_982008 (CHEMBL2428212)	Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay
50043380	4	ChEMBL_982001 (CHEMBL2428205)	Binding affinity to androgen receptor (unknown origin) by fluorescence polarization assay
50043380	5	ChEMBL_982003 (CHEMBL2428207)	Transactivation of glucocorticoid receptor ligand binding domain (unknown origin) transfected in human HeLa cells assessed as activation of NP-1 by GAL4 luciferase reporter gene assay
50043380	6	ChEMBL_981999 (CHEMBL2428203)	Agonist activity at mineralocorticoid receptor in human A549 cells
50043380	7	ChEMBL_982000 (CHEMBL2428204)	Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay
50002449	4	ChEMBL_1764259 (CHEMBL4199506)	Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay
50043382	1	ChEMBL_982298 (CHEMBL2429516)	Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate
50043382	2	ChEMBL_982299 (CHEMBL2429517)	Competitive inhibition of human quinone reductase 2 using menadione/N-methyldihydronicotinamide as substrate after 10 mins by double-reciprocal plot analysis
50043382	3	ChEMBL_982295 (CHEMBL2429513)	Binding affinity to human quinone reductase 2 by ITC analysis
50043383	1	ChEMBL_982411 (CHEMBL2427222)	Agonist activity at human TLR8 expressed in HEK293 cells by reporter based assay
50043384	1	ChEMBL_982480 (CHEMBL2427606)	Inhibition of human recombinant KDM6A after 1 hr
50043384	2	ChEMBL_982479 (CHEMBL2427605)	Inhibition of KDM2A (unknown origin)
50043384	3	ChEMBL_982482 (CHEMBL2427608)	Inhibition of KDM5A (unknown origin) using H3K4me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay
50043384	4	ChEMBL_982484 (CHEMBL2427610)	Inhibition of KDM4C (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay
50043384	5	ChEMBL_982483 (CHEMBL2427609)	Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay
50043385	1	ChEMBL_982570 (CHEMBL2428215)	Inhibition of CypC PPIase activity (unknown origin)
50043385	2	ChEMBL_982569 (CHEMBL2428072)	Inhibition of CypB PPIase activity (unknown origin)
50043385	3	ChEMBL_982571 (CHEMBL2428216)	Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate
50043386	1	ChEMBL_982964 (CHEMBL2426901)	Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr
50043386	2	ChEMBL_982977 (CHEMBL2427061)	Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr
50043387	1	ChEMBL_983485 (CHEMBL2429420)	Inhibition of human FAP
50043387	2	ChEMBL_983484 (CHEMBL2429419)	Inhibition of human DPP8
50043388	1	ChEMBL_983548 (CHEMBL2429618)	Inhibition of CYP2D6 (unknown origin)
50043388	2	ChEMBL_983547 (CHEMBL2429617)	Inhibition of CYP2C19 (unknown origin)
50043388	3	ChEMBL_983549 (CHEMBL2429619)	Inhibition of CYP2C9 (unknown origin)
50043388	4	ChEMBL_983550 (CHEMBL2429620)	Inhibition of CYP2C8 (unknown origin)
50043388	5	ChEMBL_983668 (CHEMBL2427448)	Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins
50043388	6	ChEMBL_983670 (CHEMBL2427450)	Inhibition of PYK2 (unknown origin)
50043388	7	ChEMBL_983672 (CHEMBL2427452)	Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis
50043388	8	ChEMBL_983551 (CHEMBL2429621)	Inhibition of CYP1A2 (unknown origin)
50043388	9	ChEMBL_983671 (CHEMBL2427451)	Binding affinity to FAK kinase (unknown origin) by surface plasmon resonance assay
50043388	10	ChEMBL_983673 (CHEMBL2427453)	Competitive binding affinity to FAK kinase domain (410 to 689) (unknown origin) assessed as phosphorylation of p(Glu/Tyr) in presence of ATP
50043389	1	ChEMBL_980998 (CHEMBL2427719)	Inhibition of telomerase (unknown origin) by TRAP assay
50043390	1	ChEMBL_981512 (CHEMBL2428811)	Binding affinity to human OTR by competitive binding assay
50043391	1	ChEMBL_981764 (CHEMBL2426985)	Inhibition of recombinant CDK5/p25 (unknown origin) expressed in Escherichia coli using [gamma-33P]ATP after 30 mins
50043391	2	ChEMBL_981760 (CHEMBL2426841)	Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using RS peptide and [gamma-33P]ATP as substrate after 30 mins
50043391	3	ChEMBL_981761 (CHEMBL2426842)	Inhibition of human recombinant DYRK1A expressed in Escherichia coli using [gamma-33P]ATP after 30 mins
50043391	4	ChEMBL_981762 (CHEMBL2426843)	Inhibition of PIM1 (unknown origin) expressed in Escherichia coli using [gamma-33P]ATP after 30 mins
50043393	1	ChEMBL_982342 (CHEMBL2426862)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [1,2-3H]-cortisone reduction to [1,2,6,7-3H]-cortisol after 10 mins in presence of NADPH
50043394	1	ChEMBL_982389 (CHEMBL2427050)	Inhibition of human cathepsin-D
50043395	1	ChEMBL_982656 (CHEMBL2428568)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 2 mins by Ellman's method
50043395	2	ChEMBL_982657 (CHEMBL2428569)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 2 mins by Ellman's method
50043396	1	ChEMBL_982659 (CHEMBL2428571)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50043396	2	ChEMBL_982660 (CHEMBL2428572)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method
50043396	3	ChEMBL_982661 (CHEMBL2428573)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method
50043397	1	ChEMBL_982812 (CHEMBL2429189)	Inhibition of DPP-9 (unknown origin)
50043397	2	ChEMBL_982811 (CHEMBL2429188)	Inhibition of DPP-8 (unknown origin)
50043398	1	ChEMBL_982819 (CHEMBL2429196)	Inhibition of CDK5/P25 (unknown origin)
50043398	2	ChEMBL_982820 (CHEMBL2429197)	Inhibition of CDK9/CyclinT (unknown origin)
50043398	3	ChEMBL_982823 (CHEMBL2429200)	Inhibition of CDK7/Cyclin H (unknown origin)
50043398	4	ChEMBL_982825 (CHEMBL2429202)	Inhibition of CDK1/Cyclin B (unknown origin)
50043399	1	ChEMBL_983177 (CHEMBL2428089)	Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured after 90 mins by formaldehyde dehydrogenase assay
50043399	2	ChEMBL_983183 (CHEMBL2428095)	Inhibition of LSD1 (unknown origin) expressed in Sf9 cells using H3K4(me2) as substrate preincubated for 30 mins prior to substrate addition measured after 90 mins by horseradish peroxidase assay
50043400	1	ChEMBL_983187 (CHEMBL2428099)	Transrepression of glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene assay
50043400	2	ChEMBL_983188 (CHEMBL2428100)	Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay
50043400	3	ChEMBL_983185 (CHEMBL2428097)	Transactivation of GR-LBD expressed in human HeLa cells co-expressing GAL4-DBD by luciferase reporter gene assay
50043401	1	ChEMBL_983202 (CHEMBL2428261)	Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay
50043401	2	ChEMBL_983201 (CHEMBL2428260)	Inhibition of WRN (unknown origin) by gel-based DNA unwinding assay
50043401	3	ChEMBL_983200 (CHEMBL2428259)	Inhibition of RECQ1 (unknown origin) by gel-based DNA unwinding assay
50043402	1	ChEMBL_983385 (CHEMBL2428939)	Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes by saturation binding assay
50043402	2	ChEMBL_983384 (CHEMBL2428938)	Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes
50043402	3	ChEMBL_983383 (CHEMBL2428937)	Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of radioligand
50043402	4	ChEMBL_983382 (CHEMBL2428936)	Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of compound by competition association assay
50043402	5	ChEMBL_983389 (CHEMBL2428943)	Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes
50043403	1	ChEMBL_983404 (CHEMBL2429074)	Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay
50043403	2	ChEMBL_983406 (CHEMBL2429076)	Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay
50043403	3	ChEMBL_983409 (CHEMBL2429079)	Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay
50043403	4	ChEMBL_983410 (CHEMBL2429080)	Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay
50043403	5	ChEMBL_983401 (CHEMBL2429071)	Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay
50043403	6	ChEMBL_983408 (CHEMBL2429078)	Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay
50043403	7	ChEMBL_983407 (CHEMBL2429077)	Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay
50043403	8	ChEMBL_983397 (CHEMBL2429067)	Binding affinity to L3MBTL1 (unknown origin) by isothermal titration calorimetric assay
50043403	9	ChEMBL_983398 (CHEMBL2429068)	Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric assay
50043403	10	ChEMBL_983400 (CHEMBL2429070)	Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay
50043403	11	ChEMBL_983403 (CHEMBL2429073)	Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay
50043403	12	ChEMBL_983402 (CHEMBL2429072)	Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay
50043403	13	ChEMBL_983405 (CHEMBL2429075)	Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay
50043404	1	ChEMBL_983601 (CHEMBL2427113)	Inhibition of recombinant Plasmodium falciparum FabZ using crotonoyl-CoA as substrate after 10 mins
50043404	2	ChEMBL_983602 (CHEMBL2427114)	Inhibition of recombinant Plasmodium falciparum 3D7 FabG using acetoacetyl-CoA as substrate after 10 mins in presence of NADPH
50043405	1	ChEMBL_985247 (CHEMBL2434497)	Inhibition of 5-lipoxygenase in rat RBL1 cells
50043406	1	ChEMBL_985355 (CHEMBL2432164)	Inhibition of recombinant GST-tagged FAK catalytic domain region (amino acids 411-686) (unknown origin) expressed in Sf9 cells after 5 mins
50043406	2	ChEMBL_985356 (CHEMBL2432165)	Inhibition of Pyk2 (unknown origin)
50043406	3	ChEMBL_985357 (CHEMBL2432166)	Reversible inhibition of FAK kinase domain (amino acid 410-689) (unknown origin) assessed as inhibition of Phosphorylation of p(Glu/Tyr) by spectrophotometry
50043406	4	ChEMBL_985358 (CHEMBL2432167)	Inhibition of FAK (unknown origin)
50043407	1	ChEMBL_985482 (CHEMBL2432728)	Inhibition of PTP1B in rat liver homogenates using p-nitro phenyl phosphate as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins
50043408	1	ChEMBL_985484 (CHEMBL2432730)	Reversible inhibition of electric eel AChE using acetylthiocholine as substrate incubated for 20 mins prior to substrate addition measured every 30 secs for 4 mins by Ellman's method
50043408	2	ChEMBL_985485 (CHEMBL2432731)	Inhibition of electric eel AChE using acetylthiocholine as substrate incubated for 20 mins prior to substrate addition measured every 30 secs for 4 mins by Ellman's method
50043409	1	ChEMBL_985961 (CHEMBL2432193)	Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillation counting
50043409	2	ChEMBL_985964 (CHEMBL2432196)	Inhibition of CYP2D6 (unknown origin)
50043409	3	ChEMBL_985959 (CHEMBL2432191)	Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation using [3H]-inositol after 1 hr by scintillation counting in presence of human serum
50043409	4	ChEMBL_985965 (CHEMBL2432197)	Agonist activity at mouse GPR142
50043410	1	ChEMBL_986179 (CHEMBL2433084)	Inhibition of BRD4 in human Raji cells assessed as reduction of MYC expression after 4 hrs
50043410	2	ChEMBL_986181 (CHEMBL2433086)	Inhibition of His-FLAG-tagged BRD4 binding domain1 (unknown origin) binding to H4-TetraAc-biotin peptide after 20 mins by AlphaLISA
50043411	1	ChEMBL_986338 (CHEMBL2433829)	Binding affinity to PBR receptor (unknown origin)
50043411	2	ChEMBL_986354 (CHEMBL2433845)	Agonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin by GFP reporter gene assay
50043411	3	ChEMBL_986340 (CHEMBL2433831)	Binding affinity to histamine H1 receptor (unknown origin)
50043411	4	ChEMBL_986342 (CHEMBL2433833)	Binding affinity to 5-HT3 receptor (unknown origin)
50043411	5	ChEMBL_986337 (CHEMBL2433828)	Binding affinity to sigma-1 receptor (unknown origin)
50043411	6	ChEMBL_986355 (CHEMBL2433846)	Displacement of [125I]-neurotensin from NTR1 in HUVEC after 1 hr by gamma counting analysis
50043411	7	ChEMBL_986346 (CHEMBL2433837)	Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as stimulation of calcium flux
50043411	8	ChEMBL_986344 (CHEMBL2433835)	Antagonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin assessed as inhibition of ML314-induced effect by GFP reporter gene assay
50043411	9	ChEMBL_986348 (CHEMBL2433839)	Agonist activity at NTR1 (unknown origin) expressed in CHOK1 cells by beta-arrestin assay
50043411	10	ChEMBL_986351 (CHEMBL2433842)	Agonist activity at GPR35 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin by GFP reporter gene assay
50043412	1	ChEMBL_986467 (CHEMBL2434392)	Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells
50043413	1	ChEMBL_983838 (CHEMBL2433110)	Inhibition of PI3Kbeta-mediated AKT phosphorylation at Ser473 in PTEN-deficient human MDA-MB-468 cells after 30 mins
50043413	2	ChEMBL_983839 (CHEMBL2433111)	Inhibition of PI3Kbeta (unknown origin) assessed as PIP2 conversion to PIP3 after 1 hr by HTRF assay
50043414	1	ChEMBL_983856 (CHEMBL2433294)	Positive modulation of human recombinant mGluR5 expressed in HEK293A cells by calcium based FLIPR assay
50043415	1	ChEMBL_983889 (CHEMBL2433499)	Inhibition of factor 10a (unknown origin)
50043415	2	ChEMBL_984127 (CHEMBL2434648)	Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate
50043416	1	ChEMBL_984155 (CHEMBL2432083)	Agonist activity at PAR2 in human HT-29 cells assessed as increase in intracellular calcium release
50043416	2	ChEMBL_984156 (CHEMBL2432084)	Displacement of [3H]-2-furoyl-LIGRL-NH2 from human PAR2 expressed in human NCTC-2544 cells after 60 mins by scintillation counting analysis
50043416	3	ChEMBL_984129 (CHEMBL2434650)	Antagonist activity at PAR2 in human neutrophils assessed as inhibition of chemotactic migration of cells towards trypsin/SLIGRL-NH2
50043416	4	ChEMBL_984132 (CHEMBL2434653)	Agonist activity at PAR2 in human platelets by platelet aggregation assay in presence of SFLLRN
50043416	5	ChEMBL_984133 (CHEMBL2434654)	Agonist activity at human PAR1 expressed in African green monkey COS7 cells assessed as stimulation of inositol triphosphate production
50043416	6	ChEMBL_984135 (CHEMBL2434656)	Agonist activity at human PAR2 expressed in African green monkey COS7 cells assessed as stimulation of inositol triphosphate production
50043416	7	ChEMBL_984136 (CHEMBL2434657)	Antagonist activity at human PAR2 expressed in African green monkey COS7 cells assessed as inhibition of SLIGKV-NH2-induced inositol triphosphate production
50043416	8	ChEMBL_984138 (CHEMBL2434659)	Partial agonist activity at PAR2 in human SW620 cells assessed as increase in intracellular calcium release
50043416	9	ChEMBL_984139 (CHEMBL2432067)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of 2f-LIGRLO-NH2-induced intracellular calcium release
50043416	10	ChEMBL_984140 (CHEMBL2432068)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of trypsin-induced intracellular calcium release
50043416	11	ChEMBL_984141 (CHEMBL2432069)	Antagonist activity at PAR2 in human HCT15 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium release
50043416	12	ChEMBL_984142 (CHEMBL2432070)	Antagonist activity at PAR2 in human HaCaT cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium release
50043416	13	ChEMBL_984143 (CHEMBL2432071)	Antagonist activity at PAR2 in human HT-29 cells assessed as inhibition of agonist-induced calcium mobilization
50043416	14	ChEMBL_984144 (CHEMBL2432072)	Antagonist activity at human PAR2 expressed in human A549 cells coexpressing TACR1 assessed as inhibition of substance P-induced IL-8 production by ELISA
50043416	15	ChEMBL_984145 (CHEMBL2432073)	Antagonist activity at human PAR2 expressed in human A549 cells assessed as inhibition of 2f-LIGRLO-NH2-induced NFkappaB activation by luciferase reporter gene assay
50043416	16	ChEMBL_984146 (CHEMBL2432074)	Antagonist activity at human PAR2 expressed in human NCTC-2544 cells assessed as inhibition of SLIGKV-NH2-induced NFkappaB activation preincubated for 15 to 30 mins followed by SLIGKV-NH2 addition measured after 6 hrs by luciferase reporter gene assay
50043416	17	ChEMBL_984147 (CHEMBL2432075)	Displacement of [3H]2-furoyl-LIGRL-NH2 from human PAR2 expressed in human NCTC-2544 cells by scintillation counting analysis
50043416	18	ChEMBL_984148 (CHEMBL2432076)	Antagonist activity at rat PAR2 expressed in rat KNRK cells assessed as inhibition of trypsin-induced receptor activation
50043416	19	ChEMBL_984149 (CHEMBL2432077)	Agonist activity at human PAR2 expressed in HEK293T cells assessed as increase in intracellular calcium level by bioluminescence assay
50043416	20	ChEMBL_984150 (CHEMBL2432078)	Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of phosphatidylinositol hydrolysis after 45 mins by scintillation counting analysis
50043416	21	ChEMBL_984151 (CHEMBL2432079)	Agonist activity at human PAR2 expressed in HEK293T cells assessed as stimulation of cell proliferation after 5 days by beta-galactosidase assay
50043416	22	ChEMBL_984152 (CHEMBL2432080)	Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in MAPK level
50043416	23	ChEMBL_984153 (CHEMBL2432081)	Agonist activity at PAR2 in human 16HBE14o- cells assessed as increase in intracellular calcium level
50043417	1	ChEMBL_984696 (CHEMBL2434668)	Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay
50043417	2	ChEMBL_984475 (CHEMBL2433360)	Inhibition of c-Met autophosphorylation in human A549 cells after 1 hr by ELISA
50043418	1	ChEMBL_984729 (CHEMBL2432103)	Inhibition of GST-tagged TC-PTP (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	2	ChEMBL_984730 (CHEMBL2432104)	Inhibition of GST-tagged MEG2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	3	ChEMBL_984731 (CHEMBL2432105)	Inhibition of GST-tagged LAR (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	4	ChEMBL_984732 (CHEMBL2432106)	Inhibition of GST-tagged CD45 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	5	ChEMBL_984733 (CHEMBL2432107)	Inhibition of GST-tagged PTP1B (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	6	ChEMBL_984734 (CHEMBL2432108)	Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	7	ChEMBL_984736 (CHEMBL2432110)	Inhibition of GST-tagged SHP2 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043418	8	ChEMBL_984718 (CHEMBL2434690)	Inhibition of wild type GST-tagged full-length SHP2 (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincubated for 30 mins before substrate addition measured after 30 mins by phosphatase activity assay
50043419	1	ChEMBL_984988 (CHEMBL2433162)	Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr by fluorescence plate reader analysis
50043419	2	ChEMBL_984751 (CHEMBL2432125)	Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrate
50043419	3	ChEMBL_984981 (CHEMBL2433155)	Inhibition of full length FLAG-tagged recombinant HDAC3 (unknown origin) transfected in human HeLa cells assessed as deacetylation of [3H]-acetylated histones after 2 hrs by scintillation counting analysis
50043420	1	ChEMBL_985292 (CHEMBL2434703)	Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after 30 mins by fluorescence polarization assay
50043420	2	ChEMBL_985293 (CHEMBL2434704)	Binding affinity to Stat3 (unknown origin) using hSIE as probe preincubated for 30 mins followed by hSIE addition by electrophoretic mobility shift assay
50043420	3	ChEMBL_985013 (CHEMBL2433187)	Binding affinity to Stat1 (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after 30 mins by fluorescence polarization assay
50043421	1	ChEMBL_985420 (CHEMBL2432449)	Inhibition of histamine H2 receptor (unknown origin) by PDSP assay
50043421	2	ChEMBL_985421 (CHEMBL2432450)	Inhibition of histamine H1 receptor (unknown origin) by PDSP assay
50043421	3	ChEMBL_985425 (CHEMBL2432454)	Inhibition of dopamine D2 receptor (unknown origin) by PDSP assay
50043422	1	ChEMBL_985653 (CHEMBL2433419)	Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells after 1 hr by gamma-counting analysis
50043422	2	ChEMBL_985516 (CHEMBL2432762)	Binding affinity to GRP receptor (unknown origin)
50043422	3	ChEMBL_985515 (CHEMBL2432761)	Displacement of [125I]-Tyr4-bombesin from GRP receptor in human PC3 cells
50043423	1	ChEMBL_985654 (CHEMBL2433420)	Inhibition of human CYP11B2
50043424	1	ChEMBL_985694 (CHEMBL2433625)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay
50043424	2	ChEMBL_985750 (CHEMBL2433967)	Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay
50043424	3	ChEMBL_985749 (CHEMBL2433966)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay
50043425	1	ChEMBL_985758 (CHEMBL2433975)	Antagonist activity at TRPA1 (unknown origin) assessed as inhibition of mustard oil-activated current
50043425	2	ChEMBL_985759 (CHEMBL2433976)	Agonist activity at TRPA1 (unknown origin)
50043425	3	ChEMBL_985751 (CHEMBL2433968)	Antagonist activity at rat recombinant TRPM8 overexpressed in HEK293 cells assessed as inhibition of menthol-induced intracellular calcium influx preincubated for 5 mins followed by menthol challenge by Fluo-4-AM dye-based spectrofluorimetric analysis
50043425	4	ChEMBL_985755 (CHEMBL2433972)	Antagonist activity at rat recombinant TRPA1 overexpressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular calcium influx preincubated for 5 mins followed by allyl isothiocyanate challenge by Fluo-4-AM dye-based spectrofluorimetric analysis
50043425	5	ChEMBL_985756 (CHEMBL2433973)	Agonist activity at rat recombinant TRPA1 overexpressed in HEK293 cells assessed as induction of intracellular calcium influx by Fluo-4-AM dye-based spectrofluorimetric analysis
50043425	6	ChEMBL_985752 (CHEMBL2433969)	Antagonist activity at rat recombinant TRPM8 overexpressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium influx preincubated for 5 mins followed by icilin challenge by Fluo-4-AM dye-based spectrofluorimetric analysis
50043425	7	ChEMBL_985753 (CHEMBL2433970)	Agonist activity at rat recombinant TRPM8 overexpressed in HEK293 cells assessed as induction of intracellular calcium influx by Fluo-4-AM dye-based spectrofluorimetric analysis
50043426	1	ChEMBL_985765 (CHEMBL2433982)	Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50043427	1	ChEMBL_985778 (CHEMBL2433995)	Inhibition of aromatase (unknown origin) using dibenzylfluorscein as substrate incubated with NADP+ for 10 mins prior to substrate addition measured after 30 mins by fluorescence assay
50043427	2	ChEMBL_985785 (CHEMBL2434147)	Inhibition of iNOS-mediated NO production in mouse RAW264.7 cells by Griess assay
50043428	1	ChEMBL_985805 (CHEMBL2434167)	Inhibition of FLT-3 (unknown origin)
50043428	2	ChEMBL_985806 (CHEMBL2434168)	Inhibition of RET (unknown origin)
50043428	3	ChEMBL_985868 (CHEMBL2434541)	Inhibition of PDGFR-beta (unknown origin)
50043429	1	ChEMBL_985893 (CHEMBL2434566)	Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorescence plate reader analysis
50043430	1	ChEMBL_985922 (CHEMBL2434757)	Inhibition of human SGLT1 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after 120 mins by liquid scintillation counting
50043430	2	ChEMBL_985923 (CHEMBL2434758)	Inhibition of human SGLT2 expressed in CHOK cells assessed as [14-C]AMG uptake preincubated for 10 mins followed by [14-C]AMG addition measured after 120 mins by liquid scintillation counting
50043431	1	ChEMBL_986151 (CHEMBL2432951)	Inhibition of rat CK1delta in presence of 20 uM ATP
50043431	2	ChEMBL_986541 (CHEMBL2434782)	Inhibition of human NEK2alpha in presence of 50 uM ATP
50043431	3	ChEMBL_986148 (CHEMBL2432948)	Inhibition of human ERK8 in presence of 5 uM ATP
50043431	4	ChEMBL_986152 (CHEMBL2432952)	Inhibition of human CHK1 in presence of 20 uM ATP
50043432	1	ChEMBL_986562 (CHEMBL2434803)	Displacement of [3H]-spiperone from cloned human dopamine D2 receptor
50043433	1	ChEMBL_983894 (CHEMBL2433504)	Inhibition of human ALADH after 20 mins
50043434	1	ChEMBL_983909 (CHEMBL2433519)	Competitive inhibition of recombinant full length PTP1B (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol by Lineweaver-Burk plot analysis
50043434	2	ChEMBL_983896 (CHEMBL2433506)	Reversible inhibition of recombinant full length PTP1B (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	3	ChEMBL_983901 (CHEMBL2433511)	Inhibition of LAR (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	4	ChEMBL_983902 (CHEMBL2433512)	Inhibition of SHP2 (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	5	ChEMBL_983903 (CHEMBL2433513)	Inhibition of CD45 (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	6	ChEMBL_983904 (CHEMBL2433514)	Inhibition of PTPbeta (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	7	ChEMBL_983905 (CHEMBL2433515)	Inhibition of TCPTP (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043434	8	ChEMBL_983908 (CHEMBL2433518)	Inhibition of recombinant truncated PTP1B (unknown origin) using pTyr1146 as substrate assessed as inorganic phosphate level after 20 mins by spectrophotometric analysis
50043434	9	ChEMBL_983910 (CHEMBL2433520)	Inhibition of recombinant full length PTP1B (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis
50043435	1	ChEMBL_984203 (CHEMBL2432256)	Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in Escherichia coli using pyruvate as substrate assessed as disappearance of NADH after 10 mins by fluorescence assay
50043435	2	ChEMBL_984204 (CHEMBL2432257)	Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis in absence of NADH
50043435	3	ChEMBL_984205 (CHEMBL2432258)	Binding affinity to human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis in presence of NADH
50043435	4	ChEMBL_984206 (CHEMBL2432259)	Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate assessed as disappearance of NADH after 10 mins by fluorescence assay
50043436	1	ChEMBL_984215 (CHEMBL2432375)	Binding affinity to Staphylococcus aureus type-1 signal peptidase using decanoyl-LSSPAYNO2A-ADKabzPD and decanyol-LTPTAYNO2A-ASKKabzDD as substrate by fluorescence assay
50043437	1	ChEMBL_984799 (CHEMBL2432301)	Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins
50043438	1	ChEMBL_985086 (CHEMBL2433591)	Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay
50043438	2	ChEMBL_985089 (CHEMBL2433594)	Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay
50043438	3	ChEMBL_985088 (CHEMBL2433593)	Binding affinity to His6-tagged BRD2 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay
50043439	1	ChEMBL_985091 (CHEMBL2433596)	Displacement of [125I]-[DTrp6]-LH-RH from human GnRH receptor after 3 hrs by gamma counting
50043440	1	ChEMBL_983995 (CHEMBL2434044)	Inhibition of Mycobacterium tuberculosis IspC by photometric assay
50043441	1	ChEMBL_984001 (CHEMBL2434050)	Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured after 18 hrs by ELISA
50043441	2	ChEMBL_984002 (CHEMBL2434051)	Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate induction measured after 90 mins by ELISA
50043441	3	ChEMBL_984003 (CHEMBL2434052)	Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured after 18 hrs by ELISA
50043441	4	ChEMBL_984241 (CHEMBL2432519)	Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate induction measured after 90 mins by ELISA
50043441	5	ChEMBL_984004 (CHEMBL2434053)	Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured after 18 hrs by ELISA
50043441	6	ChEMBL_984005 (CHEMBL2434054)	Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate induction measured after 90 mins by ELISA
50043441	7	ChEMBL_984236 (CHEMBL2432396)	Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for 20 mins by fluorimetric assay
50043441	8	ChEMBL_984237 (CHEMBL2432397)	Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured every 15 secs for 20 mins by fluorimetric assay
50043441	9	ChEMBL_984240 (CHEMBL2432518)	Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs for 20 mins by fluorimetric assay
50043442	1	ChEMBL_984259 (CHEMBL2432537)	Inhibition of human recombinant microsomal CYP2D6 using {3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin} as substrate assessed as remaining activity at 10 uM after 30 mins by spectrofluorimetric analysis relative to control
50043443	1	ChEMBL_984569 (CHEMBL2433919)	Positive allosteric modulation of human mGluR5 over-expressed in HEK293 cells
50043443	2	ChEMBL_984571 (CHEMBL2433921)	Positive allosteric modulation of human mGluR5 stably expressed in HEK293 cells assessed as Ca2+ flux by FLIPR assay
50043443	3	ChEMBL_984573 (CHEMBL2433923)	Positive allosteric modulation of human mGluR5 stably expressed in CHO cells assessed as Ca2+ flux by FLIPR assay
50043443	4	ChEMBL_984574 (CHEMBL2433924)	Positive allosteric modulation of human mGluR5
50043443	5	ChEMBL_984575 (CHEMBL2433925)	Positive allosteric modulation of mGluR5 (unknown origin)
50043443	6	ChEMBL_984534 (CHEMBL2433740)	Inhibition of human CYP1A2
50043443	7	ChEMBL_984535 (CHEMBL2433741)	Inhibition of human CYP2D6
50043443	8	ChEMBL_984536 (CHEMBL2433742)	Inhibition of human CYP2C9
50043444	1	ChEMBL_984057 (CHEMBL2434267)	Displacement of [123I]-DCIT from PSMA in human LNCaP cells after 1 hr by gamma counting
50043444	2	ChEMBL_984058 (CHEMBL2434268)	Binding affinity to PSMA in human LNCaP cells after 1 hr by gamma counting
50043445	1	ChEMBL_984595 (CHEMBL2434089)	Inhibition of CYP2D6 (unknown origin)
50043445	2	ChEMBL_984594 (CHEMBL2434088)	Inhibition of CYP2C19 (unknown origin)
50043445	3	ChEMBL_984596 (CHEMBL2434090)	Inhibition of CYP2C9 (unknown origin)
50043446	1	ChEMBL_984624 (CHEMBL2434279)	Inhibition of N-terminal His10-tagged human DHODH (Met30 to Arg396) expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate measured every 30 secs for 6 mins by DCIP dye-based assay
50043446	2	ChEMBL_984625 (CHEMBL2434280)	Inhibition of Plasmodium falciparum DHODH (Phe158 to Ser569) expressed in Escherichia coli BL21 using dihydroorotate as substrate measured every 30 secs for 6 mins by DCIP dye-based assay
50043447	1	ChEMBL_984626 (CHEMBL2434281)	Inhibition of aromatase (unknown origin) using dibenzylfluorescein as substrate after 30 mins by fluorescence assay
50043448	1	ChEMBL_984915 (CHEMBL2432854)	Inhibition of human MKP5 using DiFMUP as substrate after 5 mins by spectrophotometric plate reader analysis
50043448	2	ChEMBL_984914 (CHEMBL2432853)	Inhibition of human LAR using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis
50043448	3	ChEMBL_984913 (CHEMBL2432852)	Inhibition of human CD45 using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis
50043448	4	ChEMBL_984911 (CHEMBL2432850)	Inhibition of human TC-PTP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis
50043448	5	ChEMBL_984912 (CHEMBL2432851)	Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis
50043449	1	ChEMBL_984066 (CHEMBL2434424)	Inhibition of His-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 1 hr by TR-FRET assay
50043449	2	ChEMBL_984067 (CHEMBL2434425)	Inhibition of His-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 1 hr by TR-FRET assay
50043449	3	ChEMBL_984068 (CHEMBL2434426)	Inhibition of GST-tagged full length XIAP (unknown origin) assessed as caspase 3/7 reactivation in S-100 cell extract after 4 hrs by fluorescence assay
50043450	1	ChEMBL_984388 (CHEMBL2432993)	Inhibition of GlyT1 (unknown origin) expressed in MDCK cells using [3H]-glycine as substrate after 10 mins by scintillation counting
50043450	2	ChEMBL_984389 (CHEMBL2433113)	Inhibition of EAAT3 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillation counting
50043450	3	ChEMBL_984390 (CHEMBL2433114)	Inhibition of EAAT2 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillation counting
50043450	4	ChEMBL_984391 (CHEMBL2433115)	Inhibition of EAAT1 (unknown origin) expressed in african green monkey COS7 cells using [3H]-glutamic acid as substrate after 10 mins by scintillation counting
50043450	5	ChEMBL_984392 (CHEMBL2433116)	Inhibition of GAT-3 (unknown origin) expressed in african green monkey COS7 cells using [3H]-GABA as substrate after 10 mins by scintillation counting
50043450	6	ChEMBL_984394 (CHEMBL2433118)	Inhibition of GAT-1 (unknown origin) expressed in african green monkey COS7 cells using [3H]-GABA as substrate after 10 mins by scintillation counting
50043451	1	ChEMBL_984399 (CHEMBL2433123)	Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay
50043451	2	ChEMBL_984398 (CHEMBL2433122)	Inhibition of human full length ARTD1 using NAD+ as substrate by fluorescence assay
50043452	1	ChEMBL_986596 (CHEMBL2437506)	Antagonist activity at human glucagon receptor
50043453	1	ChEMBL_986918 (CHEMBL2438884)	Agonist activity at human alpha4beta2 nAChR expressed in human SH-EP1 cells assessed as induction of intracellular Ca2+ influx by FLIPR assay
50043453	2	ChEMBL_986916 (CHEMBL2438882)	Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cell membranes after 2 hrs by liquid scintillation counting analysis
50043454	1	ChEMBL_986940 (CHEMBL2439018)	Inhibition of human recombinant CDK1/cyclin B after 30 mins by fluorescence assay
50043455	1	ChEMBL_987349 (CHEMBL2438199)	Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
50043455	2	ChEMBL_987348 (CHEMBL2438198)	Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
50043455	3	ChEMBL_987341 (CHEMBL2438191)	Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
50043455	4	ChEMBL_987342 (CHEMBL2438192)	Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay
50043456	1	ChEMBL_987703 (CHEMBL2439681)	Agonist activity at mouse TGR5 expressed in HEK293 cells assessed CRE-induced luciferase activity after 5.5 hrs by reporter gene assay
50043456	2	ChEMBL_987708 (CHEMBL2439686)	Agonist activity at human TGR5 expressed in HEK293 cells assessed CRE-induced luciferase activity after 5.5 hrs by reporter gene assay
50043456	3	ChEMBL_987709 (CHEMBL2439687)	Agonist activity at TGR5 (unknown origin)
50043457	1	ChEMBL_987832 (CHEMBL2437780)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) (4:1) as substrate after 30 mins by spectrophotometric analysis
50043457	2	ChEMBL_987831 (CHEMBL2437779)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) (4:1) as substrate after 30 mins by spectrophotometric analysis
50043457	3	ChEMBL_987834 (CHEMBL2437782)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) (4:1) as substrate after 30 mins by spectrophotometric analysis
50043458	1	ChEMBL_988012 (CHEMBL2438670)	Inhibition of HO-1 in Sprague-Dawley rat spleen microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chromatography analysis
50043458	2	ChEMBL_988011 (CHEMBL2438669)	Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chromatography analysis
50043459	1	ChEMBL_988090 (CHEMBL2438949)	Noncompetitive inhibition of human GST-tagged LMW-PTP-B expressed in Escherichia coli JM 109 cells using p-nitrophenyl phosphate as substrate after 15 mins by microplate reader analysis
50043460	1	ChEMBL_988244 (CHEMBL2439588)	Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK cells after 90 mins by scintillation counting analysis
50043460	2	ChEMBL_988250 (CHEMBL2439594)	Displacement of [[3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in human fibroblasts after 90 mins by scintillation counting analysis
50043460	3	ChEMBL_988315 (CHEMBL2439881)	Displacement of [3H]-epibatidine from human alpha4beta2 nAChR transfected in HEK293 cells by scintillation counting analysis
50043460	4	ChEMBL_988316 (CHEMBL2439882)	Displacement of [3H]-epibatidine from human alpha2beta4 nAChR transfected in HEK293 cells by scintillation counting analysis
50043460	5	ChEMBL_988318 (CHEMBL2439884)	Displacement of [3H]-epibatidine from human alpha2beta2 nAChR transfected in HEK293 cells by scintillation counting analysis
50043460	6	ChEMBL_988325 (CHEMBL2439891)	Displacement of [3H]Pentazocine from guinea pig sigma1 receptor after 90 mins by scintillation counting analysis
50043460	7	ChEMBL_988332 (CHEMBL2437595)	Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in African green monkey COS cells after 90 mins by scintillation counting analysis
50043460	8	ChEMBL_988339 (CHEMBL2437602)	Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) expressed in mouse/rat NG108-15 cells after 30 mins by by liquid scintillation counting analysis
50043460	9	ChEMBL_988340 (CHEMBL2437603)	Displacement of [3H]GR65630 from human 5-HT3A receptor expressed in HEK293 cells by liquid scintillation counting analysis
50043461	1	ChEMBL_988348 (CHEMBL2437611)	Inhibition of mouse sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence assay
50043461	2	ChEMBL_988349 (CHEMBL2437612)	Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence assay
50043461	3	ChEMBL_988347 (CHEMBL2437610)	Inhibition of rat sEH expressed in Sf9 insect cells using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by fluorescence assay
50043462	1	ChEMBL_988354 (CHEMBL2437617)	Inhibition of HDAC3 (unknown origin) using MAZ1600 and MAZ1675 as substrate assessed as fluorogenic release of 7-amino-4-methylcoumarin from substrate by optimized homogenous assay
50043463	1	ChEMBL_988361 (CHEMBL2437624)	Agonist activity at VDR ligand binding domain (unknown origin) by reporter gene assay
50043463	2	ChEMBL_988360 (CHEMBL2437623)	Binding affinity to VDR (unknown origin)
50043464	1	ChEMBL_988444 (CHEMBL2437986)	Inhibition of CYP2C9 in human liver microsomes
50043464	2	ChEMBL_988446 (CHEMBL2437988)	Inhibition of CYP2D6 in human liver microsomes
50043464	3	ChEMBL_988451 (CHEMBL2437993)	Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis
50043465	1	ChEMBL_988462 (CHEMBL2438111)	Inhibition of ABL (unknown origin) after 30 mins by fluorescence assay
50043465	2	ChEMBL_988463 (CHEMBL2438112)	Inhibition of AKT (unknown origin) after 30 mins by fluorescence assay
50043466	1	ChEMBL_988468 (CHEMBL2438117)	Inhibition of 17beta-HSD2 (unknown origin)
50043466	2	ChEMBL_988473 (CHEMBL2438122)	Inhibition of human placenta 17beta-HSD1 cytosolic fraction using unlabeled, [2,4,6,7-3H]-estrone as substrate after 20 mins by HPLC analysis in presence of NADH
50043466	3	ChEMBL_988475 (CHEMBL2438124)	Inhibition of human placenta 17beta-HSD2 microsomal fraction using unlabeled, [2,4,6,7-3H]-estradiol as substrate after 20 mins by HPLC analysis in presence of NAD+
50043467	1	ChEMBL_988574 (CHEMBL2438433)	Inhibition of Trypanosoma brucei PDEB1
50043468	1	ChEMBL_988611 (CHEMBL2438562)	Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assay
50002450	1	ChEMBL_1764262 (CHEMBL4199509)	Inhibition of sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins by NEFA based assay
50002450	2	ChEMBL_1764263 (CHEMBL4199510)	Inhibition of sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins by NEFA based assay
50002450	3	ChEMBL_1764264 (CHEMBL4199511)	Inhibition of sPLA2-5 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins by NEFA based assay
50002450	4	ChEMBL_1764267 (CHEMBL4199514)	Inhibition of recombinant human sPLA2-10 using human HDL as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins by NEFA based assay
50043469	5	ChEMBL_988622 (CHEMBL2438689)	Inhibition of JAK3 (unknown origin)
50043469	6	ChEMBL_988614 (CHEMBL2438565)	Inhibition of CYP2D6 (unknown origin)
50043469	7	ChEMBL_988613 (CHEMBL2438564)	Inhibition of CYP2C19 (unknown origin)
50043469	8	ChEMBL_988617 (CHEMBL2438568)	Inhibition of CYP2C9 (unknown origin)
50043469	9	ChEMBL_988615 (CHEMBL2438566)	Inhibition of CYP1A2 (unknown origin)
50043470	1	ChEMBL_988712 (CHEMBL2438983)	Binding affinity to human FLT3
50043470	2	ChEMBL_988771 (CHEMBL2439144)	Inhibition of wild type human IKKa by high throughput ATP-[33P] radiolabeled assay
50043470	3	ChEMBL_988907 (CHEMBL2439761)	Inhibition of wild type human IGF1R by high throughput ATP-[33P] radiolabeled assay
50043470	4	ChEMBL_988915 (CHEMBL2439769)	Inhibition of wild type human Aurora kinase C kinase by high throughput ATP-[33P] radiolabeled assay
50043470	5	ChEMBL_988772 (CHEMBL2439145)	Inhibition of wild type human IKKb by high throughput ATP-[33P] radiolabeled assay
50043470	6	ChEMBL_988777 (CHEMBL2439150)	Inhibition of wild type human TRKB by high throughput ATP-[33P] radiolabeled assay
50043470	7	ChEMBL_988900 (CHEMBL2439754)	Inhibition of wild type human SGK1 by high throughput ATP-[33P] radiolabeled assay
50043470	8	ChEMBL_988908 (CHEMBL2439762)	Inhibition of wild type human IR by high throughput ATP-[33P] radiolabeled assay
50043470	9	ChEMBL_988912 (CHEMBL2439766)	Inhibition of wild type human c-MET by high throughput ATP-[33P] radiolabeled assay
50043470	10	ChEMBL_988713 (CHEMBL2438984)	Binding affinity to human MLK3
50043470	11	ChEMBL_988919 (CHEMBL2439773)	Inhibition of human wild type DLK by qPCR analysis
50043470	12	ChEMBL_988916 (CHEMBL2439770)	Inhibition of wild type human Aurora kinase B by high throughput ATP-[33P] radiolabeled assay
50043470	13	ChEMBL_988902 (CHEMBL2439756)	Inhibition of wild type human ROCK2 by high throughput ATP-[33P] radiolabeled assay
50043470	14	ChEMBL_988917 (CHEMBL2439771)	Inhibition of wild type human Aurora kinase A by high throughput ATP-[33P] radiolabeled assay
50043470	15	ChEMBL_988778 (CHEMBL2439151)	Inhibition of wild type human TRKA by high throughput ATP-[33P] radiolabeled assay
50043470	16	ChEMBL_986643 (CHEMBL2437703)	Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP
50043470	17	ChEMBL_988939 (CHEMBL2439899)	Inhibition of CYP2C9 in human liver microsomes assessed as inhibition of midazolam metabolism by HPLC/MS analysis
50043470	18	ChEMBL_988940 (CHEMBL2439900)	Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of diclofenac metabolism by HPLC/MS analysis
50043470	19	ChEMBL_988746 (CHEMBL2439119)	Inhibition of human wild type LRRK2 by qPCR analysis
50043470	20	ChEMBL_988770 (CHEMBL2439143)	Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay
50043470	21	ChEMBL_988775 (CHEMBL2439148)	Inhibition of wild type human ABL1 by high throughput ATP-[33P] radiolabeled assay
50043470	22	ChEMBL_988728 (CHEMBL2438999)	Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATP
50043470	23	ChEMBL_986642 (CHEMBL2437702)	Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA
50043470	24	ChEMBL_988727 (CHEMBL2438998)	Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATP
50043470	25	ChEMBL_988747 (CHEMBL2439120)	Binding affinity to human wild type DLK by qPCR analysis
50043470	26	ChEMBL_988922 (CHEMBL2439776)	Inhibition of MLK2 (unknown origin)
50043470	27	ChEMBL_988921 (CHEMBL2439775)	Inhibition of MLK1 (unknown origin)
50043470	28	ChEMBL_988913 (CHEMBL2439767)	Inhibition of wild type human CDK1 by high throughput ATP-[33P] radiolabeled assay
50043470	29	ChEMBL_988903 (CHEMBL2439757)	Inhibition of wild type human ROCK1 by high throughput ATP-[33P] radiolabeled assay
50043470	30	ChEMBL_988899 (CHEMBL2439753)	Inhibition of wild type human SYK by high throughput ATP-[33P] radiolabeled assay
50043470	31	ChEMBL_988769 (CHEMBL2439142)	Inhibition of FLT3-L-stimulated wild type full length human FLT3 autophosphorylation expressed in MEF preincubated for 90 mins followed by FLT3-L stimulation measured after 5 mins by ELISA
50043470	32	ChEMBL_988905 (CHEMBL2439759)	Inhibition of wild type human MEKK2 by high throughput ATP-[33P] radiolabeled assay
50043470	33	ChEMBL_988911 (CHEMBL2439765)	Inhibition of wild type human ERK2 by high throughput ATP-[33P] radiolabeled assay
50043470	34	ChEMBL_988776 (CHEMBL2439149)	Inhibition of wild type human ZAP70 by high throughput ATP-[33P] radiolabeled assay
50043471	1	ChEMBL_986682 (CHEMBL2437999)	Inhibition of human TACE after 5 mins
50043471	2	ChEMBL_986810 (CHEMBL2438451)	Inhibition of human recombinant ADAMTS-5 using ARGSVILTV-KPIFEVSPSPL(biotinyl)K as substrate incubated 10 mins prior to substrate addition measured after 3 hrs by spectrophotometry
50043471	3	ChEMBL_986691 (CHEMBL2438008)	Inhibition of human MMP-12 after 60 mins
50043471	4	ChEMBL_986694 (CHEMBL2438011)	Inhibition of human MMP-7 after 45 mins
50043471	5	ChEMBL_986807 (CHEMBL2438448)	Inhibition of human recombinant ADAMTS-4 using QTVTWPDMELPLPRNITEGEARGSVIL-TVKPIFEVSPSPL(biotinyl)K as substrate incubated for 10 mins prior to substrate addition measured after 3 hrs by spectrophotometry
50043472	1	ChEMBL_986815 (CHEMBL2438456)	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysis
50043472	2	ChEMBL_986816 (CHEMBL2438457)	Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysis
50043472	3	ChEMBL_986817 (CHEMBL2438458)	Inhibition of CYP1A2 in human liver microsomes assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysis
50043473	1	ChEMBL_986855 (CHEMBL2438603)	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate
50043474	1	ChEMBL_986996 (CHEMBL2439316)	Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates
50043474	2	ChEMBL_986994 (CHEMBL2439314)	Inhibition of CYP2D6 in human liver microsomes
50043474	3	ChEMBL_986995 (CHEMBL2439315)	Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum
50043475	1	ChEMBL_987018 (CHEMBL2439338)	Inhibition of cathepsin D (unknown origin)
50043475	2	ChEMBL_987020 (CHEMBL2439340)	Inhibition of renin (unknown origin)
50043476	1	ChEMBL_987174 (CHEMBL2437531)	Inhibition of TGFbeta-induced downstream transcriptional activation of ALK5 (unknown origin) expressed in CHO-HIR cells assessed as intracellular translocation of EGFP-Smad2 after 2 hrs by luciferase assay
50043477	1	ChEMBL_987541 (CHEMBL2438919)	Inhibition of human TCF4/ flag epitope-tagged beta-catenin (unknown origin) interaction transfected in human HCT116 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assay
50043478	1	ChEMBL_987740 (CHEMBL2439831)	Inhibition of human recombinant MMP-12 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2.AcOH as substrate preincubated for 30 mins prior to substrate addition measured for 30 mins by fluorescence assay
50043478	2	ChEMBL_987743 (CHEMBL2439834)	Inhibition of Clostridium botulinum BoNT/A
50043478	3	ChEMBL_987744 (CHEMBL2439835)	Inhibition of 5-LOX (unknown origin)-mediated leukotriene (LT)B4 biosynthesis
50043479	1	ChEMBL_988136 (CHEMBL2439105)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase cloned in Escherichia coli BL21 (DE3) using ATP, beta-alanine, pantoic acid as substrate assessed as NAD+ production measured every 12 secs for 120 secs by spectrophotometric analysis
50043479	2	ChEMBL_988132 (CHEMBL2439101)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50043479	3	ChEMBL_988133 (CHEMBL2439102)	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase
50043480	1	ChEMBL_988143 (CHEMBL2439234)	Inhibition of papaya papain using Z-Leu-Leu-Arg-AMC as substrate after 30 mins by fluorescence microplate reader analysis
50043481	1	ChEMBL_988156 (CHEMBL2439247)	Inhibition of GRK-2 (unknown origin)-mediated phosphorylation of rhodopsin in bovine-rod outer segment membranes incubated under white light condition for 15 mins measured after 30 mins by autoradiography in presence of [gamma32P]-ATP
50043482	1	ChEMBL_988290 (CHEMBL2439744)	Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV-1 Tat and human HeLa cells expressing CD4 after 20 hrs by beta-galactosidase reporter gene assay
50043482	2	ChEMBL_988288 (CHEMBL2439742)	Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation counting analysis
50043482	3	ChEMBL_988289 (CHEMBL2439743)	Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
50043482	4	ChEMBL_988264 (CHEMBL2439718)	Antagonist activity at CCR4 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of TARC-induced calcium flux preincubated for 15 mins by spectrophotometric analysis
50043482	5	ChEMBL_988271 (CHEMBL2439725)	Inhibition of CYP2D6 (unknown origin)
50043482	6	ChEMBL_988272 (CHEMBL2439726)	Inhibition of CYP2C19 (unknown origin)
50043482	7	ChEMBL_988273 (CHEMBL2439727)	Inhibition of CYP2C9 (unknown origin)
50043482	8	ChEMBL_988275 (CHEMBL2439729)	Inhibition of CYP2C8 (unknown origin)
50043482	9	ChEMBL_988274 (CHEMBL2439728)	Inhibition of CYP2B6 (unknown origin)
50043482	10	ChEMBL_988277 (CHEMBL2439731)	Inhibition of CYP1A2 (unknown origin)
50043483	1	ChEMBL_988295 (CHEMBL2439861)	Inhibition of His-tagged first bromodomain of BRD4 (unknown origin) using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by AlphaScreen assay
50043483	2	ChEMBL_988296 (CHEMBL2439862)	Inhibition of first bromodomain of BRD2 (unknown origin)
50043483	3	ChEMBL_988297 (CHEMBL2439863)	Binding affinity to first bromodomain of BRD4 (unknown origin)
50043484	1	ChEMBL_988373 (CHEMBL2437800)	Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis
50043484	2	ChEMBL_988366 (CHEMBL2437793)	Inhibition of LAR (unknown origin)
50043484	3	ChEMBL_988372 (CHEMBL2437799)	Inhibition of SHP-2 (unknown origin)
50043484	4	ChEMBL_988371 (CHEMBL2437798)	Inhibition of SHP-1 (unknown origin)
50043484	5	ChEMBL_988367 (CHEMBL2437794)	Inhibition of CDC25B (unknown origin)
50043484	6	ChEMBL_988368 (CHEMBL2437795)	Inhibition of TCPTP (unknown origin)
50043485	1	ChEMBL_988810 (CHEMBL2439292)	Inhibition of human FLT3
50043485	2	ChEMBL_988811 (CHEMBL2439293)	Inhibition of human ARK5
50043486	1	ChEMBL_988990 (CHEMBL2437636)	Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR3 domain (241 to 356) (unknown origin) after 45 mins by TR-FRET Assay
50043486	2	ChEMBL_988981 (CHEMBL2439941)	Inhibition of CYP2C9 (unknown origin)
50043486	3	ChEMBL_988982 (CHEMBL2439942)	Inhibition of CYP2D6 (unknown origin)
50043486	4	ChEMBL_988991 (CHEMBL2437637)	Displacement of AVPIAQKSEK (epsilon-biotin)-OH from 6xhistidine-thrombin-TEV-tagged XIAP BIR2 domain (124 to 240) (unknown origin) after 45 mins by TR-FRET Assay
50043486	5	ChEMBL_988994 (CHEMBL2437640)	Inhibition of XIAP BIR2 domain (unknown origin)
50043486	6	ChEMBL_988968 (CHEMBL2439928)	Inhibition of GST-tagged full length XIAP BIR2 domain-mediated caspase 3/7 cleavage in human HeLa S3 cell lysates assessed as cleavage of Ac-DEVD-AFC after 4 hrs in presence of cytochrome C and dATP
50043486	7	ChEMBL_988995 (CHEMBL2437641)	Inhibition of XIAP BIR3 domain (unknown origin)
50043487	1	ChEMBL_988998 (CHEMBL2437644)	Displacement of (+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membrane after 120 mins by scintillation counting
50043487	2	ChEMBL_989000 (CHEMBL2437646)	Binding affinity to sigma-1 receptor (unknown origin)
50043488	1	ChEMBL_986887 (CHEMBL2438751)	Inhibition of equine serum BuChE using S-butyrylcholinesterase iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method
50043488	2	ChEMBL_986889 (CHEMBL2438753)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition by Ellmans method
50043489	1	ChEMBL_986898 (CHEMBL2438762)	Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobilization after 15 mins by microplate reader method
50043490	1	ChEMBL_987264 (CHEMBL2437893)	Displacement of FAM-Bid BH3 peptide from recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polarization assay
50043490	2	ChEMBL_987265 (CHEMBL2437894)	Displacement of FAM-Bid BH3 peptide from recombinant Mcl-1 (unknown origin) expressed in Escherichia coli BL21 after 10 mins by fluorescence polarization assay
50043491	1	ChEMBL_987422 (CHEMBL2438487)	Agonist activity at VDR in human HL60 cells assessed as induction of cell differentiation after 96 hrs by NBT reduction assay
50043492	1	ChEMBL_987635 (CHEMBL2439368)	Inhibition of human leukotriene A-4 hydrolase
50043492	2	ChEMBL_987636 (CHEMBL2439369)	Inhibition of human thymidylate synthase
50043492	3	ChEMBL_987639 (CHEMBL2439372)	Inhibition of human MAPK1
50043492	4	ChEMBL_987815 (CHEMBL2437763)	Inhibition of human vitamin D3 receptor
50043493	1	ChEMBL_987932 (CHEMBL2438239)	Inhibition of Clostridium botulinum A Hall BoNT LC/A in human induced pluripotent stem cell-derived neurons assessed as inhibition of intracellular SNAP-25 cleavage after 8 hrs by Western blot analysis
50043494	1	ChEMBL_987947 (CHEMBL2438370)	Activity at human MDR1 expressed in MDCK cells assessed as Calcein-AM uptake after 30 mins by fluorescence assay
50043494	2	ChEMBL_987953 (CHEMBL2438376)	Displacement of (+)-[3H]-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes without cerebellum
50043495	1	ChEMBL_991860 (CHEMBL2446110)	Displacement of Fluormone AL Green from androgen receptor ligand binding domain (unknown origin) after 4 hrs by fluorescence polarization assay
50043496	1	ChEMBL_992027 (CHEMBL2447428)	Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by two-electrode voltage clamp method
50043497	1	ChEMBL_992052 (CHEMBL2447453)	Displacement of Cy5-pNPY from human Y5 receptor expressed in human HEC-1B cells after 90 to 120 mins by flow cytometry
50043497	2	ChEMBL_992053 (CHEMBL2447454)	Displacement of Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry
50043497	3	ChEMBL_992054 (CHEMBL2447455)	Displacement of Cy5-pNPY from human Y1 receptor expressed in HEL cells after 90 to 120 mins by flow cytometry
50043497	4	ChEMBL_992057 (CHEMBL2447700)	Partial agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydrolysis of [gamma-33P]GTP after 2 mins by scintillation counting analysis
50043497	5	ChEMBL_992058 (CHEMBL2447701)	Agonist activity at human Y4 receptor expressed in sf9 cells assessed as hydrolysis of [gamma-33P]GTP after 2 mins by scintillation counting analysis
50043497	6	ChEMBL_992059 (CHEMBL2447702)	Displacement of Cy5-[K4]hPP from human Y4 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry
50043497	7	ChEMBL_992051 (CHEMBL2447452)	Binding affinity to Y2 receptor (unknown origin) expressed in human LN319 cells by radioligand binding assay
50043497	8	ChEMBL_992062 (CHEMBL2447705)	Binding affinity to Y1 receptor (unknown origin)
50043497	9	ChEMBL_992061 (CHEMBL2447704)	Agonist activity at human Y4 receptor
50043497	10	ChEMBL_992060 (CHEMBL2447703)	Binding affinity to human Y4 receptor
50043497	11	ChEMBL_992047 (CHEMBL2447448)	Binding affinity to Y5 receptor (unknown origin)
50043497	12	ChEMBL_992049 (CHEMBL2447450)	Binding affinity to human Y2 receptor expressed in human SMS-KAN cells by radioligand binding assay
50043498	1	ChEMBL_992400 (CHEMBL2445620)	Inhibition of human Arno Sec7 domain-mediated nucleotide exchange in delta17 Arf1 (17 to 181) by BODIPY-GTP based time resolved fluorescence assay
50043498	2	ChEMBL_992394 (CHEMBL2445614)	Binding affinity to human Arno Sec7 domain immobilized on CAP sensor chip after 15 mins by 1H 1D-NMR-700 MHz spectra analysis
50043499	1	ChEMBL_992590 (CHEMBL2447183)	Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay
50043499	2	ChEMBL_992727 (CHEMBL2443629)	Binding affinity to human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) by microscale thermophoresis assay
50043499	3	ChEMBL_992728 (CHEMBL2443630)	Inhibition of human recombinant LSD1 (157 to 852 aa) expressed in Escherichia coli BL21(DE) using H3K4me2 as substrate by fluorescence assay
50043500	1	ChEMBL_992749 (CHEMBL2443898)	Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay
50043500	2	ChEMBL_992750 (CHEMBL2443899)	Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay
50043500	3	ChEMBL_992740 (CHEMBL2443642)	Inhibition of human neutrophil leukocyte elastase using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-NA as substrate by chromogenic assay
50043500	4	ChEMBL_992742 (CHEMBL2443644)	Inhibition of bovine alpha-chymotrypsin using N-succinyl-Ala-Ala-Pro-Phe-p-NA as substrate by chromogenic assay
50043500	5	ChEMBL_992743 (CHEMBL2443645)	Inhibition of human recombinant factor 7a using spectrozyme as substrate by chromogenic assay
50043501	1	ChEMBL_992763 (CHEMBL2443912)	Inhibition of lysine methyltransferase G9a in human PANC1 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell Western assay
50043501	2	ChEMBL_992766 (CHEMBL2443915)	Inhibition of lysine methyltransferase G9a in human PC3 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell Western assay
50043501	3	ChEMBL_992769 (CHEMBL2443918)	Inhibition of lysine methyltransferase G9a in human U2OS cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell Western assay
50043501	4	ChEMBL_992776 (CHEMBL2443925)	Non-competitive inhibition of lysine methyltransferase G9a (unknown origin) using SAM as substrate by Michaelis-Menten kinetic assay
50043501	5	ChEMBL_992786 (CHEMBL2444213)	Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell Western assay
50043501	6	ChEMBL_992787 (CHEMBL2444214)	Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay
50043502	1	ChEMBL_993092 (CHEMBL2446442)	Inhibition of rat hepatic microsomal squalene synthase using [3H]FPP as substrate after by scintillation spectrophotometry
50043503	1	ChEMBL_993098 (CHEMBL2446673)	Displacement of [3H]-DHT from human GST-tagged androgen receptor LBD (627 to 919) expressed in Escherichia coli HB-101 after 15 hrs by liquid scintillation counting analysis
50043503	2	ChEMBL_993099 (CHEMBL2446674)	Antagonist activity at androgen receptor in mouse SC3 cells assessed as inhibition of DHT-induced cell growth after 3 days by CCK-8/WST-8 assay
50043504	1	ChEMBL_993113 (CHEMBL2446688)	Inhibition of Aurora-B (unknown origin)
50043504	2	ChEMBL_993100 (CHEMBL2446675)	Inhibition of LRRK2 (unknown origin)
50043504	3	ChEMBL_993102 (CHEMBL2446677)	Inhibition of Btk (unknown origin)
50043504	4	ChEMBL_993103 (CHEMBL2446678)	Inhibition of Tec (unknown origin)
50043504	5	ChEMBL_993105 (CHEMBL2446680)	Inhibition of CAMKK2 (unknown origin)
50043504	6	ChEMBL_993104 (CHEMBL2446679)	Inhibition of IR (unknown origin)
50043504	7	ChEMBL_993106 (CHEMBL2446681)	Inhibition of Bmx (unknown origin)
50043504	8	ChEMBL_993107 (CHEMBL2446682)	Inhibition of TXK (unknown origin)
50043504	9	ChEMBL_993109 (CHEMBL2446684)	Inhibition of IRAK4 (unknown origin)
50043504	10	ChEMBL_993110 (CHEMBL2446685)	Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins
50043504	11	ChEMBL_993112 (CHEMBL2446687)	Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins
50043504	12	ChEMBL_993116 (CHEMBL2446691)	Inhibition of ITK (unknown origin)
50043505	1	ChEMBL_993288 (CHEMBL2443945)	Inhibition of GCN2 (unknown origin) assessed as EIF2AK4 phosphorylation
50043505	2	ChEMBL_990824 (CHEMBL2444391)	Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cells preincubated for 1 hr followed by thapsigargin-induction measured after 1 hr by Western blotting analysis
50043505	3	ChEMBL_990825 (CHEMBL2444392)	Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preincubated for 30 mins followed by ATP and eIF2alpha addition measured after 1 hr by HTRF assay
50043505	4	ChEMBL_993289 (CHEMBL2443946)	Inhibition of PKR (unknown origin) assessed as EIF2AK2 phosphorylation
50043505	5	ChEMBL_993291 (CHEMBL2443948)	Inhibition of HRI (unknown origin) assessed as EIF2AK1 phosphorylation
50043505	6	ChEMBL_993293 (CHEMBL2443950)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis
50043505	7	ChEMBL_990818 (CHEMBL2444385)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 5 to 60 mins by LC-MS/MS analysis
50043505	8	ChEMBL_990819 (CHEMBL2444386)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 60 mins by LC-MS/MS analysis
50043505	9	ChEMBL_990820 (CHEMBL2444387)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate after 5 to 60 mins by LC-MS/MS analysis
50043505	10	ChEMBL_990821 (CHEMBL2444388)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 5 to 60 mins by LC-MS/MS analysis
50043505	11	ChEMBL_990822 (CHEMBL2444389)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 60 mins by LC-MS/MS analysis
50043506	1	ChEMBL_990864 (CHEMBL2444706)	Inhibition of human recombinant CYP2D6 after 20 mins by LC/MS/MS analysis
50043506	2	ChEMBL_990863 (CHEMBL2444705)	Inhibition of human recombinant CYP2C9 after 20 mins by LC/MS/MS analysis
50043506	3	ChEMBL_990865 (CHEMBL2444707)	Inhibition of human recombinant CYP1A2 after 20 mins by LC/MS/MS analysis
50043507	1	ChEMBL_991049 (CHEMBL2446068)	Inhibition of human MGAT2 by LC/MS assay
50043507	2	ChEMBL_991050 (CHEMBL2446069)	Inhibition of human MGAT2 by SPA assay
50043508	1	ChEMBL_991510 (CHEMBL2445021)	Binding affinity to histamine H1 receptor (unknown origin)
50043509	1	ChEMBL_991618 (CHEMBL2444440)	Inhibition of DPP8 (unknown origin)
50043509	2	ChEMBL_991616 (CHEMBL2444438)	Inhibition of DPP9 (unknown origin)
50043510	1	ChEMBL_991706 (CHEMBL2445054)	Inhibition of human recombinant DNA polymerase beta
50043510	2	ChEMBL_991704 (CHEMBL2445052)	Non-competitive inhibition of human TdT using 3'-OH as substrate
50043510	3	ChEMBL_991705 (CHEMBL2445053)	Competitive inhibition of human TdT using TTP as substrate
50043511	1	ChEMBL_991849 (CHEMBL2446099)	Binding affinity to Bacillus thermoproteolyticus thermolysin at pH 7.5 after 15 mins by fluorescence spectrophotometry
50043511	2	ChEMBL_991850 (CHEMBL2446100)	Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis
50043511	3	ChEMBL_991851 (CHEMBL2446101)	Inhibition of Bacillus thermoproteolyticus thermolysin
50043512	1	ChEMBL_992004 (CHEMBL2447159)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate at 10 uM after 60 mins by ELISA
50043512	2	ChEMBL_991992 (CHEMBL2447147)	Inhibition of Abl (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	3	ChEMBL_991996 (CHEMBL2447151)	Inhibition of RET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	4	ChEMBL_991997 (CHEMBL2447152)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	5	ChEMBL_991998 (CHEMBL2447153)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	6	ChEMBL_991999 (CHEMBL2447154)	Inhibition of TYRO3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	7	ChEMBL_992000 (CHEMBL2447155)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	8	ChEMBL_992001 (CHEMBL2447156)	Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	9	ChEMBL_992002 (CHEMBL2447157)	Inhibition of RON (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043512	10	ChEMBL_992003 (CHEMBL2447158)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043513	1	ChEMBL_992007 (CHEMBL2447162)	Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy
50043514	1	ChEMBL_992315 (CHEMBL2445101)	Inhibition of human renin
50043514	2	ChEMBL_992314 (CHEMBL2445100)	Inhibition of human cathepsin D
50043515	1	ChEMBL_992352 (CHEMBL2445381)	Inhibition of human GST-tagged Bcl-xL expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polarization assay
50043515	2	ChEMBL_992353 (CHEMBL2445382)	Inhibition of human GST-tagged Mcl1 expressed in Escherichia coli BL21 using FITC-AHA-MRPEIWIAQELRRIGDEFNA-[NH2] after 20 mins by fluorescence polarization assay
50043516	1	ChEMBL_993221 (CHEMBL2447511)	Inhibition of prostanoid TP receptor (unknown origin)
50043516	2	ChEMBL_993225 (CHEMBL2447515)	Inhibition of prostanoid IP receptor (unknown origin)
50043516	3	ChEMBL_993223 (CHEMBL2447513)	Inhibition of prostanoid FP receptor (unknown origin)
50043516	4	ChEMBL_993227 (CHEMBL2447517)	Inhibition of prostanoid DP1 receptor (unknown origin)
50043516	5	ChEMBL_993228 (CHEMBL2447518)	Inhibition of human CYP2D6
50043516	6	ChEMBL_993231 (CHEMBL2447521)	Inhibition of human CYP2C9
50043516	7	ChEMBL_993230 (CHEMBL2447520)	Inhibition of human CYP1A2
50043516	14	ChEMBL_993361 (CHEMBL2444556)	Antagonist activity at mouse CRTh2 receptor expressed in CHO-K1 cells assessed as inhibition of [125S]-GTP-gamma-S binding after 50 mins by liquid scintillation counting
50043517	1	ChEMBL_993411 (CHEMBL2444880)	Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis
50043517	2	ChEMBL_993410 (CHEMBL2444879)	Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate
50043517	3	ChEMBL_993409 (CHEMBL2444878)	Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor
50043518	1	ChEMBL_990949 (CHEMBL2445277)	Inhibition of human lysosome alpha-L-fucosidase using 4-methylumbelliferyl-alpha-L-fucopyranoside by spectrophotometry
50043518	2	ChEMBL_990950 (CHEMBL2445278)	Inhibition of rat epididymis alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometry
50043518	3	ChEMBL_990951 (CHEMBL2445279)	Inhibition of bovine kidney alpha-L-fucosidase assessed as inhibition of release of p-nitrophenol by spectrophotometry
50043518	4	ChEMBL_993418 (CHEMBL2444887)	Inhibition of bovine liver beta-galactosidase assessed as inhibition of p-nitrophenol release by spectrophotometry
50043519	1	ChEMBL_991001 (CHEMBL2445799)	Inhibition of human recombinant MMP-14 catalytic domain using MOCAcPLGLA2pr(Dnp)AR-NH2 as substrate by fluorescence spectrophotometric analysis
50002450	5	ChEMBL_1764273 (CHEMBL4199520)	Inhibition of mouse sPLA2-10
50002450	6	ChEMBL_1764289 (CHEMBL4199536)	Inhibition of recombinant human CYP1A2
50002450	7	ChEMBL_1764286 (CHEMBL4199533)	Inhibition of recombinant human CYP2C9
50002450	8	ChEMBL_1764282 (CHEMBL4199529)	Inhibition of human Cav3.2 expressed in CHO cells by ionworks patch clamp assay
50002450	9	ChEMBL_1764279 (CHEMBL4199526)	Inhibition of human Nav1.5 expressed in CHO cells by ionworks patch clamp assay
50002450	10	ChEMBL_1764277 (CHEMBL4199524)	Inhibition of human ERG expressed in CHO cells by ionworks patch clamp assay
50002450	11	ChEMBL_1764287 (CHEMBL4199534)	Inhibition of recombinant human CYP2C19
50002450	12	ChEMBL_1764283 (CHEMBL4199530)	Inhibition of human Cav1.2 expressed in CHO cells by ionworks patch clamp assay
50002450	13	ChEMBL_1764281 (CHEMBL4199528)	Inhibition of human Kv4.3 expressed in CHO cells by ionworks patch clamp assay
50002450	14	ChEMBL_1764288 (CHEMBL4199535)	Inhibition of recombinant human CYP2D6
50043521	1	ChEMBL_991140 (CHEMBL2446596)	Displacement of [3H]PK11195 from TSPO in human U-87 MG cells after 1 hr by by liquid scintillation counting analysis
50043522	1	ChEMBL_991337 (CHEMBL2443546)	Non-competitive inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by Dixon plot method
50043522	2	ChEMBL_991336 (CHEMBL2443545)	Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by fluorimetry
50043523	1	ChEMBL_989543 (CHEMBL2444599)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ uptake incubated for 10 mins prior to capsaicin-challenge measured after 2 to 5 mins by liquid scintillation counting analysis
50043523	2	ChEMBL_989544 (CHEMBL2444600)	Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced 45Ca2+ uptake incubated for 10 mins prior to icilin-challenge measured after 4 mins by liquid scintillation counting analysis
50043523	3	ChEMBL_989519 (CHEMBL2444306)	Inhibition of TRPV1 (unknown origin)
50043523	4	ChEMBL_989520 (CHEMBL2444307)	Inhibition of TRPM8 (unknown origin)
50043523	5	ChEMBL_989532 (CHEMBL2444319)	Antagonist activity at rat TRPM8 by 45Ca2+ uptake assay
50043524	1	ChEMBL_989563 (CHEMBL2444619)	Inhibition of Aeromonas proteolytica leucyl aminopeptidase using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis
50043524	2	ChEMBL_989564 (CHEMBL2444620)	Inhibition of porcine kidney APN using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis
50043525	1	ChEMBL_989568 (CHEMBL2444624)	Inhibition of PHD2 (unknown origin) by HTRF assay
50043526	1	ChEMBL_990142 (CHEMBL2444337)	Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay
50043527	1	ChEMBL_990144 (CHEMBL2444339)	Inhibition of human SGLT1 expressed in CHO-K1 cells assessed as inhibition of [14C]-AMG uptake up to 120 mins by scintillation counting method
50043527	2	ChEMBL_990145 (CHEMBL2444340)	Inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-AMG uptake up to 120 mins by scintillation counting method
50043528	1	ChEMBL_990162 (CHEMBL2444357)	Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH
50043528	2	ChEMBL_990158 (CHEMBL2444353)	Competitive inhibition of wild-type human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli using geraniol as substrate by double-reciprocal plot analysis in presence of NADP+
50043528	3	ChEMBL_990161 (CHEMBL2444356)	Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH
50043529	1	ChEMBL_990167 (CHEMBL2444631)	Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay
50043530	1	ChEMBL_990431 (CHEMBL2446282)	Allosteric modulation of human mGlu5 receptor expressed in HEK cells assessed as effect on glutamate-induced calcium mobilization
50043530	2	ChEMBL_990439 (CHEMBL2446290)	Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor allosteric binding site (unknown origin)
50043531	1	ChEMBL_990489 (CHEMBL2446786)	Inhibition of PARP-1 (unknown origin) after 60 mins by colorimetric assay
50043532	1	ChEMBL_990490 (CHEMBL2446787)	Transactivation of wild-type human recombinant mineralocorticoid receptor expressed in COS7 cells after 24 hrs by luciferase reporter gene assay
50043532	2	ChEMBL_990491 (CHEMBL2446788)	Antagonist activity at human recombinant mineralocorticoid receptor expressed in HEK-293 cells after 24 hrs assessed as inhibition of aldosterone-induced receptor activity by luciferase reporter gene assay
50043532	3	ChEMBL_990492 (CHEMBL2446789)	Transactivation of human recombinant mineralocorticoid receptor expressed in HEK-293 cells after 24 hrs by luciferase reporter gene assay
50043532	4	ChEMBL_990495 (CHEMBL2446792)	Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of [1,2,-3H]-cortisone to [3H]cortisol preincubated for 10 mins before substrate addition by scintillation counting
50043532	5	ChEMBL_990496 (CHEMBL2446793)	Inhibition of human recombinant 11beta-HSD2 expressed in HEK293 cells assessed as inhibition of [1,2,6,7-3H]-cortisol to [3H]cortisone preincubated for 10 mins before substrate addition by scintillation counting
50043533	1	ChEMBL_990501 (CHEMBL2446798)	Binding affinity to human neuropeptide Y receptor type 4 receptor expressed in CHO cells using Cy5-[K4]-hPP by flow cytometric analysis
50043533	2	ChEMBL_990502 (CHEMBL2446799)	Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells
50043533	3	ChEMBL_990497 (CHEMBL2446794)	Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human MCF7 cells
50043533	4	ChEMBL_990503 (CHEMBL2446800)	Binding affinity to human neuropeptide Y receptor type 2 receptor expressed in CHO cells using Cy5-pNPY by flow cytometric analysis
50043533	5	ChEMBL_990500 (CHEMBL2446797)	Binding affinity to human neuropeptide Y receptor type 5 receptor expressed in HEC-1B cells using Cy5-pNPY by flow cytometric analysis
50043534	1	ChEMBL_990534 (CHEMBL2447077)	Inhibition of platelet activating factor receptor (unknown origin)
50043534	2	ChEMBL_990533 (CHEMBL2447076)	Antagonist activity at NK1 receptor (unknown origin)
50043534	3	ChEMBL_990536 (CHEMBL2447079)	Inhibition of sigma1 receptor (unknown origin)
50043534	4	ChEMBL_990559 (CHEMBL2447334)	Displacement of [3H]GR205171 from Mongolian gerbil brain NK1 receptor after 60 mins by scintillation counting analysis
50043534	5	ChEMBL_990570 (CHEMBL2447345)	Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 40 mins by scintillation counting analysis
50043535	1	ChEMBL_990661 (CHEMBL2443483)	Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis
50043535	2	ChEMBL_990647 (CHEMBL2447658)	Inhibition of rat ROMK channel-mediated 86Rb+ flux
50043535	3	ChEMBL_990651 (CHEMBL2443473)	Inhibition of Kir7.1 channel (unknown origin)
50043535	4	ChEMBL_990652 (CHEMBL2443474)	Inhibition of Kir4.1 channel (unknown origin)
50043535	5	ChEMBL_990653 (CHEMBL2443475)	Inhibition of Kir2.3 channel (unknown origin)
50043535	6	ChEMBL_990654 (CHEMBL2443476)	Inhibition of Kir2.1 channel (unknown origin)
50043535	7	ChEMBL_990656 (CHEMBL2443478)	Inhibition of human ROMK channel by electrophysiology assay
50043536	1	ChEMBL_990753 (CHEMBL2443820)	Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in CHO cells
50043537	1	ChEMBL_989037 (CHEMBL2445667)	Inhibition of human TRPM8 (unknown origin) expressed in HEK293 cells assessed as inhibition of WS12-induced Ca2+ elevation by FLIPR assay
50043538	1	ChEMBL_989058 (CHEMBL2445688)	Inhibition of survivin (unknown origin)
50043539	1	ChEMBL_989092 (CHEMBL2445944)	Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells
50043540	1	ChEMBL_989153 (CHEMBL2446216)	Inhibition of CHK1 (unknown origin)
50043540	2	ChEMBL_989151 (CHEMBL2446214)	Inhibition of Pim3 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF assay
50043540	3	ChEMBL_989149 (CHEMBL2446212)	Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF assay
50043540	4	ChEMBL_989150 (CHEMBL2446213)	Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF assay
50043540	5	ChEMBL_989142 (CHEMBL2446205)	Inhibition of mTOR (unknown origin)
50043541	1	ChEMBL_989588 (CHEMBL2444903)	Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in culture medium after 12 mins by liquid scintillation counting
50043541	2	ChEMBL_989589 (CHEMBL2444904)	Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in culture medium after 24 hrs by liquid scintillation counting
50043542	1	ChEMBL_989767 (CHEMBL2446005)	Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 to 24 hrs by fluorescence assay
50043543	1	ChEMBL_989342 (CHEMBL2447561)	Binding affinity to soluble truncated human recombinant 6His-tagged alpha5beta1 and integrins were expressed in HEK293T cells after 2 hrs by competition ELISA-like assay
50043543	2	ChEMBL_989343 (CHEMBL2447562)	Binding affinity to soluble truncated human recombinant Fc-tagged alphaVbeta3 and integrins were expressed in HEK293T cells after 2 hrs by competition ELISA-like assay
50043544	1	ChEMBL_989354 (CHEMBL2447573)	Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay
50043545	1	ChEMBL_989368 (CHEMBL2443403)	Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells
50043545	2	ChEMBL_989367 (CHEMBL2443402)	Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells
50002450	15	ChEMBL_1764290 (CHEMBL4199537)	Inhibition of recombinant human CYP2C8
50002450	16	ChEMBL_1764285 (CHEMBL4199532)	Inhibition of recombinant human CYP3A4
50043545	4	ChEMBL_989362 (CHEMBL2443397)	Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex
50043546	1	ChEMBL_989463 (CHEMBL2443990)	Inhibition of NEK6 (unknown origin)
50043546	2	ChEMBL_989464 (CHEMBL2443991)	Inhibition of MST4 (unknown origin)
50043546	3	ChEMBL_989465 (CHEMBL2443992)	Inhibition of MPS1 (unknown origin)
50043546	4	ChEMBL_989466 (CHEMBL2443993)	Inhibition of MK2 (unknown origin)
50043546	5	ChEMBL_989467 (CHEMBL2443994)	Inhibition of MET (unknown origin)
50043546	6	ChEMBL_989468 (CHEMBL2443995)	Inhibition of MELK (unknown origin)
50043546	7	ChEMBL_989471 (CHEMBL2443998)	Inhibition of JAK3 (unknown origin)
50043546	8	ChEMBL_989472 (CHEMBL2443999)	Inhibition of JAK2 (unknown origin)
50043546	9	ChEMBL_989473 (CHEMBL2444000)	Inhibition of JAK1 (unknown origin)
50043546	10	ChEMBL_989475 (CHEMBL2444002)	Inhibition of IR (unknown origin)
50043546	11	ChEMBL_989474 (CHEMBL2444001)	Inhibition of IKK2 (unknown origin)
50043546	12	ChEMBL_989476 (CHEMBL2444003)	Inhibition of IGFR1 (unknown origin)
50043546	13	ChEMBL_989477 (CHEMBL2444004)	Inhibition of haspin (V473 to K798) (unknown origin)
50043546	14	ChEMBL_989478 (CHEMBL2444005)	Inhibition of FLT3 (unknown origin)
50043546	15	ChEMBL_989480 (CHEMBL2444007)	Inhibition of FAK (unknown origin)
50043546	16	ChEMBL_989482 (CHEMBL2444009)	Inhibition of ERK2 (unknown origin)
50043546	17	ChEMBL_989483 (CHEMBL2444010)	Inhibition of eEF2K (unknown origin)
50043546	18	ChEMBL_989485 (CHEMBL2444012)	Inhibition of CK2alpha/beta (unknown origin)
50043546	19	ChEMBL_989487 (CHEMBL2444014)	Inhibition of CHK1 (unknown origin)
50043546	20	ChEMBL_989444 (CHEMBL2443721)	Inhibition of ZAP70 (unknown origin)
50043546	21	ChEMBL_989448 (CHEMBL2443725)	Inhibition of TRKA (unknown origin)
50043546	22	ChEMBL_989449 (CHEMBL2443976)	Inhibition of SYK (unknown origin)
50043546	23	ChEMBL_989451 (CHEMBL2443978)	Inhibition of RET (unknown origin)
50043546	24	ChEMBL_989452 (CHEMBL2443979)	Inhibition of PLK1 (unknown origin)
50043546	25	ChEMBL_989455 (CHEMBL2443982)	Inhibition of PIM2 (unknown origin)
50043546	26	ChEMBL_989456 (CHEMBL2443983)	Inhibition of PIM1 (unknown origin)
50043546	27	ChEMBL_989458 (CHEMBL2443985)	Inhibition of PERK (unknown origin)
50043546	28	ChEMBL_989459 (CHEMBL2443986)	Inhibition of PDGFRbeta (unknown origin)
50043546	29	ChEMBL_989460 (CHEMBL2443987)	Inhibition of PAK4 (unknown origin)
50043546	30	ChEMBL_989488 (CHEMBL2444015)	Inhibition of CDC7 (unknown origin)
50043546	31	ChEMBL_989490 (CHEMBL2444017)	Inhibition of BRK (unknown origin)
50043546	32	ChEMBL_989489 (CHEMBL2444016)	Inhibition of Aurora kinase-2 (unknown origin)
50043546	33	ChEMBL_989491 (CHEMBL2444018)	Inhibition of Aurora kinase-1 (unknown origin)
50043546	34	ChEMBL_989492 (CHEMBL2444019)	Inhibition of Alk (unknown origin)
50043546	35	ChEMBL_989493 (CHEMBL2444020)	Inhibition of AKT1 (unknown origin)
50043546	36	ChEMBL_989494 (CHEMBL2444021)	Inhibition of ACK1 (unknown origin)
50043546	37	ChEMBL_989496 (CHEMBL2444023)	Displacement of N6-(6-amino)hexyl-ATP ATTO-590-ATP from HSC70 (unknown origin) after 18 hrs by fluorescence polarization assay
50043547	1	ChEMBL_989965 (CHEMBL2447322)	Inhibition of recombinant human aromatase using O-dibenzylfluorescein benzyl ester as substrate by fluorometric assay
50043548	1	ChEMBL_989970 (CHEMBL2447327)	Inhibition of GST-tagged HDM2 (unknown origin) assessed as p53 ubiquitination by Western blot analysis
50043549	1	ChEMBL_989988 (CHEMBL2447593)	Displacement of [125I]SB207710 from 5-HT4 receptor in guinea pig brain membranes
50043550	1	ChEMBL_990098 (CHEMBL2444040)	Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay
50043551	1	ChEMBL_990216 (CHEMBL2444933)	Inhibition of mouse DGAT-1
50043551	2	ChEMBL_990217 (CHEMBL2444934)	Inhibition of human DGAT-1 expressed in insect Sf9 cell microsomes using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-CoA as substrate after 2 hrs
50043551	3	ChEMBL_990206 (CHEMBL2444670)	Inhibition of CYP2C9 (unknown origin) coincubated with substrate
50043551	4	ChEMBL_990207 (CHEMBL2444671)	Inhibition of CYP2C9 (unknown origin) preincubated prior to substrate addition
50043551	5	ChEMBL_990209 (CHEMBL2444926)	Inhibition of CYP2D6 (unknown origin) preincubated prior to substrate addition
50043552	1	ChEMBL_990373 (CHEMBL2445786)	Binding affinity to alpha7 nAChR (unknown origin)
50043552	2	ChEMBL_990374 (CHEMBL2446010)	Binding affinity to alpha4beta2 nAChR (unknown origin)
50043553	1	ChEMBL_990377 (CHEMBL2446013)	Inhibition of human plasmin
50043553	2	ChEMBL_990378 (CHEMBL2446014)	Inhibition of human neutrophil elastase
50002451	1	ChEMBL_1764323 (CHEMBL4199570)	Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HTRF assay
50002451	2	ChEMBL_1764327 (CHEMBL4199574)	Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA
50002451	3	ChEMBL_1764328 (CHEMBL4199575)	Binding affinity to RET in Sprague-Dawley rat colon tissue cell lysate using sepharose beads incubated for 45 mins by LC-MS/MS based chemoproteomics assay
50002451	4	ChEMBL_1764329 (CHEMBL4199576)	Binding affinity to DDR1 in Sprague-Dawley rat colon tissue cell lysate using sepharose beads incubated for 45 mins by LC-MS/MS based chemoproteomics assay
50002451	5	ChEMBL_1764324 (CHEMBL4199571)	Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by HTRF assay
50002452	1	ChEMBL_1764411 (CHEMBL4199658)	Competitive reversible inhibition of CYP2C9 (unknown origin)
50002452	2	ChEMBL_1764409 (CHEMBL4199656)	Inhibition of recombinant human 5-LOX using arachidonic acid as substrate measured after 5 mins by fluorescence assay
50002452	3	ChEMBL_1764419 (CHEMBL4199666)	Inhibition of human ERG
50002453	1	ChEMBL_1764450 (CHEMBL4199697)	Inhibition of endothelial lipase in human HT1080 cells using HDL as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by LC/MS/MS analysis
50002453	2	ChEMBL_1764437 (CHEMBL4199684)	Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay
50002453	3	ChEMBL_1764438 (CHEMBL4199685)	Inhibition of recombinant human HL expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by LC/MS/MS analysis
50002453	4	ChEMBL_1764452 (CHEMBL4199699)	Inhibition of recombinant mouse endothelial lipase expressed in HEK293F cells using HDL as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by LC/MS/MS analysis
50002453	5	ChEMBL_1764439 (CHEMBL4199686)	Inhibition of recombinant human LPL expressed in African green monkey COS7 cells using DGGR/DMPG vesicles as substrate pretreated for 10 mins followed by substrate addition and measured for 5 mins
50002454	1	ChEMBL_1764478 (CHEMBL4199725)	Displacement of [3H]PGD2 from human CRTh2 expressed in HEK cell membranes after 60 mins by scintillation counting method
50002454	2	ChEMBL_1764477 (CHEMBL4199724)	Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced intracellular cAMP accumulation preincubated for 10 mins followed by forskolin stimulation measured after 10 to 60 mins by ELISA based chemiluminescence assay
50002454	3	ChEMBL_1764479 (CHEMBL4199726)	Antagonist activity at human CRTh2 expressed in CHOK1 cells assessed as inhibition of PGD2-induced beta-arrestin recruitment incubated for 30 mins followed by PGD2 stimulation measured after 60 mins by PathHunter based chemiluminescence assay
50002454	4	ChEMBL_1764480 (CHEMBL4199727)	Antagonist activity at CRTh2 in human whole blood assessed as inhibition of DK-PGD2-induced eosinophils shape change preincubated for 10 mins followed by DK-PGD2 addition measured after 4 mins by flow cytometry
50002454	5	ChEMBL_1764515 (CHEMBL4199762)	Agonist activity at human CRTh2 expressed in HEK cells assessed as forskolin-induced intracellular cAMP accumulation by ELISA based chemiluminescence assay
50002456	1	ChEMBL_1764525 (CHEMBL4199772)	Inhibition of wild type HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FAMsp)-NH2 as substrate preincubated for 1 hr followed by substrate addition
50002456	2	ChEMBL_1764526 (CHEMBL4199773)	Inhibition of HCV genotype 1a NS3/4A protease R155K mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FAMsp)-NH2 as substrate preincubated for 1 hr followed by substrate addition
50002456	3	ChEMBL_1764527 (CHEMBL4199774)	Inhibition of HCV genotype 1a NS3/4A protease D168A mutant expressed in Escherichia coli BL21(DE3) using Ac-DE-Dap(QXL 520)-EE-Abu-psi-[COO]AS-C(5-FAMsp)-NH2 as substrate preincubated for 1 hr followed by substrate addition
50043556	1	ChEMBL_1276116 (CHEMBL3089197)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs
50043556	2	ChEMBL_1276104 (CHEMBL3089185)	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exposure by liquid scintillation counting
50043556	3	ChEMBL_1276106 (CHEMBL3089187)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as stimulation of [86Rb+] efflux after 2 mins by liquid scintillation counting
50043557	1	ChEMBL_1276286 (CHEMBL3089713)	Mixed type inhibition of human NPP1 expressed in COS7 cells assessed as production of p-nitrophenol using pnp-TMP as the substrate preincubated for 3 mins before substrate addition measured after 15 mins by Dixon/Cornish Bowden method
50043558	1	ChEMBL_1276325 (CHEMBL3089787)	Inhibition of human recombinant MAGL overexpressed in HEK cells using 2-AG as substrate preincubated for 10 mins before substrate addition measured after 10 mins by HPLC analysis
50043558	2	ChEMBL_1276450 (CHEMBL3088546)	Inhibition of human recombinant FAAH overexpressed in African green monkey COS7 cells using [3H]-anandamide as substrate preincubated for 10 mins before substrate addition measured after 10 mins by liquid scintillation counting analysis
50043558	3	ChEMBL_1276293 (CHEMBL3089720)	Inhibition of FAAH in rat RBL2H3 cells assessed as blockade of [3H]-anandamide uptake incubated for 15 mins prior to [3H]-anandamide addition measured after 10 mins by scintillation spectroscopic analysis
50043559	1	ChEMBL_1276488 (CHEMBL3088612)	Inhibition of human KISS1R expressed in CHO cells assessed as inhibition of KISS1R-mediated cell growth after 4 days by cell counting kit-8 assay
50043559	2	ChEMBL_1276485 (CHEMBL3088609)	Binding affinity to rat KISS1R
50043559	3	ChEMBL_1276486 (CHEMBL3088610)	Binding affinity to human KISS1R expressed in CHO cell membranes
50043560	1	ChEMBL_1276631 (CHEMBL3088992)	In situ inhibition of GRAFTase in human KB cells assessed as incorporation of [14C]-glycine into [14C]-formyl GAR preincubated for 30 mins followed by [14C]-glycine addition measured after 15 mins
50043561	1	ChEMBL_1276660 (CHEMBL3089092)	Binding affinity to human IDO1 by SPR assay
50043561	2	ChEMBL_1276663 (CHEMBL3089095)	Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry
50043561	3	ChEMBL_1276668 (CHEMBL3089100)	Competitive inhibition of human IDO1 in presence of tryptophan
50043561	4	ChEMBL_1276667 (CHEMBL3089099)	Inhibition of human IDO1-mediated tryptophan degradation expressed in human tumor cells
50043561	5	ChEMBL_1276666 (CHEMBL3089098)	Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate
50043561	6	ChEMBL_1276664 (CHEMBL3089096)	Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate
50043561	7	ChEMBL_1276665 (CHEMBL3089097)	Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate
50043562	1	ChEMBL_1276820 (CHEMBL3089488)	Binding affinity to Mycobacterium tuberculosis NADH-bound form of full length inhA (1 to 255) by SPR assay
50043562	2	ChEMBL_1276821 (CHEMBL3089489)	Binding affinity to Mycobacterium tuberculosis NADH-bound form full length inhA (1 to 255) by isothermal titration calorimetry assay
50043562	3	ChEMBL_1276822 (CHEMBL3089490)	Binding affinity to Mycobacterium tuberculosis NAD+-bound form of full length inhA (1 to 255) by isothermal titration calorimetry assay
50043562	4	ChEMBL_1276823 (CHEMBL3089491)	Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in presence of NADH
50043562	5	ChEMBL_1276826 (CHEMBL3089494)	Inhibition of wild type Mycobacterium tuberculosis inhA
50043563	1	ChEMBL_1277333 (CHEMBL3089294)	Allosteric agonist activity at human alpha7 nAChR expressed in Xenopus oocytes after 20 secs by two-electrode voltage clamp method
50043564	1	ChEMBL_1275623 (CHEMBL3090754)	Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 200 uM R1P by isothermal titration calorimetric analysis
50043564	2	ChEMBL_1275624 (CHEMBL3090755)	Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calorimetric analysis
50043564	3	ChEMBL_1275625 (CHEMBL3090756)	Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorimetric analysis
50043564	4	ChEMBL_1275626 (CHEMBL3090757)	Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis
50043564	5	ChEMBL_1275627 (CHEMBL3090758)	Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis
50043564	6	ChEMBL_1275628 (CHEMBL3090759)	Inhibition of human thymidine phosphorylase
50043565	1	ChEMBL_1275652 (CHEMBL3090823)	Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor
50043565	3	ChEMBL_1275651 (CHEMBL3090822)	Inhibition of CARM1 (unknown origin)
50043565	4	ChEMBL_1275650 (CHEMBL3090821)	Inhibition of G9a (unknown origin)
50043566	1	ChEMBL_1275661 (CHEMBL3090832)	Binding affinity to histamine H1 receptor (unknown origin) by radioligand binding assay
50043566	2	ChEMBL_1275660 (CHEMBL3090831)	Binding affinity to dopamine D2 receptor (unknown origin) by radioligand binding assay
50043567	1	ChEMBL_1275663 (CHEMBL3090834)	Inhibition of wild type mouse AChE expressed in HEK293 cells using ATCh as substrate
50043567	2	ChEMBL_1275664 (CHEMBL3090835)	Binding affinity to mouse AChE by isothermal titration calorimetry
50043567	3	ChEMBL_1275665 (CHEMBL3090836)	Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method
50043567	4	ChEMBL_1275667 (CHEMBL3090838)	Inhibition of mouse AChE
50043568	1	ChEMBL_1275828 (CHEMBL3091236)	Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scintillation counting analysis
50043568	2	ChEMBL_1275829 (CHEMBL3091237)	Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analysis
50043569	1	ChEMBL_1276187 (CHEMBL3089425)	Negative allosteric modulation of human mGlu5 receptor expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular calcium mobilization preincubated for 5 mins before L-quisqualate addition by FLIPR assay
50043570	1	ChEMBL_1276329 (CHEMBL3089791)	Displacement of [3H]-NPA from dopamine D2L receptor (unknown origin) expressed in CHO cell membranes
50043570	2	ChEMBL_1276332 (CHEMBL3089794)	Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis
50043571	1	ChEMBL_1276354 (CHEMBL3088372)	Inhibition of FMS in mouse BMDM cells
50043571	2	ChEMBL_1276356 (CHEMBL3088374)	Inhibition of FMS (unknown origin)
50043572	1	ChEMBL_1276381 (CHEMBL3088399)	Inhibition of ITK in human Jurkat cells assessed as inhibition of PLC-gamma1 phosphorylation by immuno-detection assay
50043572	2	ChEMBL_1276382 (CHEMBL3088400)	Inhibition of full length GST-tagged ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysis
50043573	1	ChEMBL_1276540 (CHEMBL3088767)	Inhibition of CYP2D6 (unknown origin) after 10 mins
50043574	1	ChEMBL_1276755 (CHEMBL3089263)	Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis
50043574	2	ChEMBL_1276752 (CHEMBL3089260)	Displacement of [3H]-methylhistamine from rat histamine H3 receptor (445 amino acid residues) transfected in human 293 cells after 1 hr by scintillation counting analysis
50043574	3	ChEMBL_1276722 (CHEMBL3089230)	Inhibition of CYP2C19 (unknown origin) after 4 hrs
50043574	4	ChEMBL_1276723 (CHEMBL3089231)	Inhibition of CYP2C9 (unknown origin) after 4 hrs
50043574	5	ChEMBL_1276747 (CHEMBL3089255)	Inhibition of canine ERG current transfected in CHO cells by patch clamp assay
50043575	1	ChEMBL_1277048 (CHEMBL3088517)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting
50043575	2	ChEMBL_1277051 (CHEMBL3088520)	Binding affinity to sigma 1 receptor (unknown origin)
50043576	1	ChEMBL_1277432 (CHEMBL3089622)	Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay
50043576	2	ChEMBL_1277421 (CHEMBL3089532)	Inhibition of BRD4 in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of NF-kappaB-mediated IL-6 expression preincubated for 30 mins followed by LPS stimulation measured after 24 hrs by ELISA
50043576	3	ChEMBL_1277422 (CHEMBL3089612)	Inhibition of BRD4 in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of NF-kappaB-mediated nitric oxide production preincubated for 30 mins followed by LPS stimulation measured after 24 hrs by spectrophotometric analysis
50043576	4	ChEMBL_1277424 (CHEMBL3089614)	Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD1 after 1 hr by fluorescence anisotropy assay
50043576	5	ChEMBL_1277425 (CHEMBL3089615)	Displacement of fluorescein-labeled MS239 from recombinant human SMARCA4 bromodomain after 1 hr by fluorescence anisotropy assay
50043576	6	ChEMBL_1277426 (CHEMBL3089616)	Displacement of fluorescein-labeled MS239 from recombinant human BAZ2b after 1 hr by fluorescence anisotropy assay
50043576	7	ChEMBL_1277427 (CHEMBL3089617)	Displacement of fluorescein-labeled MS239 from recombinant human BPTF after 1 hr by fluorescence anisotropy assay
50043576	8	ChEMBL_1277428 (CHEMBL3089618)	Displacement of fluorescein-labeled MS226 from recombinant human BRD7 after 1 hr by fluorescence anisotropy assay
50043576	9	ChEMBL_1277429 (CHEMBL3089619)	Displacement of fluorescein-labeled MS239 from recombinant human PCAF after 1 hr by fluorescence anisotropy assay
50043576	10	ChEMBL_1277430 (CHEMBL3089620)	Displacement of fluorescein-labeled MS226 from recombinant human CBP bromodomain after 1 hr by fluorescence anisotropy assay
50043576	11	ChEMBL_1277434 (CHEMBL3089624)	Displacement of fluorescein-labeled MS574 from recombinant human BRD3 BrD2 after 1 hr by fluorescence anisotropy assay
50043576	12	ChEMBL_1277431 (CHEMBL3089621)	Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay
50043577	1	ChEMBL_1277435 (CHEMBL3089625)	Inhibition of bee venom phospholipase A2
50018286	18	ChEMBL_2268728	Inhibition of HDAC6 (unknown origin)
50018286	19	ChEMBL_2268731	Inhibition of wild type EGFR (unknown origin) incubated for 40 mins in presence of ATP by kinase-glo plus luminescence assay
50018286	20	ChEMBL_2268732	Inhibition of EGFR T790M mutant (unknown origin) incubated for 40 mins in presence of ATP by kinase-glo plus luminescence assay
50018286	21	ChEMBL_2268733	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50018286	22	ChEMBL_2268734	Inhibition of MNK1 (unknown origin)
50018286	23	ChEMBL_2268735	Inhibition of MNK2 (unknown origin)
50018286	24	ChEMBL_2268738	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (acetyl)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50018286	25	ChEMBL_2268739	Inhibition of JAK (unknown origin)
50018286	26	ChEMBL_2268740	Inhibition of HDAC (unknown origin)
50018286	27	ChEMBL_2268741	Inhibition of JAK2 (unknown origin)
50018286	28	ChEMBL_2268742	Inhibition of BCR-Abl (unknown origin) incubated for 1 hr by ADP-glo assay
50018286	29	ChEMBL_2268743	Inhibition of full length human recombinant HDAC1 using AcLys-Tyr-Lys(e-acetyl)-AMC as substrate incubated for 24 hrs
50018286	30	ChEMBL_2268744	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr
50018286	31	ChEMBL_2268745	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50018286	32	ChEMBL_2268746	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50018286	33	ChEMBL_2268747	Inhibition of full-length recombinant human HDAC6 using Boc-Lys(e-acetyl)-AMC as substrate incubated for 3 hrs
50018286	34	ChEMBL_2268750	Inhibition of human CK2alpha using RRRADDSDDDDD as substrate incubated for 30 mins by [gamma-32P]-ATP based scintillation counting analysis
50043579	1	ChEMBL_1274566 (CHEMBL3091166)	Inhibition of 17beta-HSD3 in rat testes microsomal fraction using [14C]-4-androstene-3,17-dione as substrate assessed as testosterone formation after 2 hrs by thin layer chromatography
50043580	1	ChEMBL_1274575 (CHEMBL3091175)	Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation expressed in baculovirus infected insect Sf9 cells preincubated for 10 mins followed by ATP-MgCl2 addition measured after 1 hr by fluorometric analysis
50043581	1	ChEMBL_1274580 (CHEMBL3091180)	Displacement of FITC-ss-DNA from RPA70AB domain (unknown origin) by FPA assay
50043581	2	ChEMBL_1274581 (CHEMBL3091181)	Displacement of FITC-ss-DNA from RPA70NAB domain (unknown origin) by FPA assay
50043581	3	ChEMBL_1274582 (CHEMBL3091182)	Displacement of FITC-ATRIP2 from RPA70NAB domain (unknown origin) by FPA assay
50043581	4	ChEMBL_1274583 (CHEMBL3091183)	Displacement of FITC-ATRIP2 from RPA70N (1 to 120) (unknown origin) by FPA assay
50043581	5	ChEMBL_1274576 (CHEMBL3091176)	Binding affinity to RPA70NAB (unknown origin) by FPA assay
50043581	6	ChEMBL_1274577 (CHEMBL3091177)	Binding affinity to RPA70N (1 to 120) (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy
50043581	7	ChEMBL_1274584 (CHEMBL3091184)	Binding affinity to RPA70N (1 to 120) (unknown origin) expressed in Escherichia coli BL21-DE3 cells by FPA assay
50043581	8	ChEMBL_1274585 (CHEMBL3091185)	Binding affinity to RPA70N (1 to 120) site2 (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy
50043581	9	ChEMBL_1274586 (CHEMBL3091186)	Binding affinity to RPA70N (1 to 120) site1 (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy
50043582	1	ChEMBL_1274589 (CHEMBL3089847)	Inhibition of Lactobacillus casei thymidylate synthase using MTHF and dUMP as substrates
50043582	2	ChEMBL_1274591 (CHEMBL3089849)	Inhibition of human thymidylate synthase using MTHF and dUMP as substrates
50043582	3	ChEMBL_1274595 (CHEMBL3089853)	Inhibition of Pneumocystis carinii thymidylate synthase using MTHF and dUMP as substrates
50043582	4	ChEMBL_1274598 (CHEMBL3089856)	Inhibition of Lactobacillus casei thymidylate synthase
50043583	1	ChEMBL_1274777 (CHEMBL3090316)	Binding affinity to human histamine H1 receptor by PDSP assay
50043583	2	ChEMBL_1274783 (CHEMBL3090322)	Binding affinity to human dopamine D2 receptor by PDSP assay
50043583	3	ChEMBL_1274798 (CHEMBL3090337)	Binding affinity to human 5-HT3 receptor by PDSP assay
50043583	4	ChEMBL_1274807 (CHEMBL3090346)	Binding affinity to human mGluR5 by PDSP assay
50043583	5	ChEMBL_1274764 (CHEMBL3090303)	Binding affinity to human sigma-1 receptor by PDSP assay
50043583	6	ChEMBL_1274765 (CHEMBL3090304)	Binding affinity to human TSPO receptor by PDSP assay
50043584	1	ChEMBL_1274813 (CHEMBL3090352)	Inhibition of GST-tagged recombinant human PTP1B
50043585	1	ChEMBL_1274824 (CHEMBL3090398)	Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs
50043586	1	ChEMBL_1274967 (CHEMBL3090655)	Inhibition of equine serum BuChE after 15 mins by spectrophotometric analysis
50043586	2	ChEMBL_1274968 (CHEMBL3090656)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by spectrophotometric analysis
50043586	3	ChEMBL_1274970 (CHEMBL3090658)	Inhibition of electric eel acetylcholinesterase using acetylcholine chloride as substrate measured every 1 min by chemiluminescent assay
50043586	4	ChEMBL_1274973 (CHEMBL3090661)	Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50043587	1	ChEMBL_1275507 (CHEMBL3090522)	Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting
50043587	2	ChEMBL_1275384 (CHEMBL3090147)	Antagonist activity at human mineralocorticoid receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene assay in absence of serum
50043587	3	ChEMBL_1275503 (CHEMBL3090518)	Antagonist activity at human androgen receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene assay
50043587	4	ChEMBL_1275506 (CHEMBL3090521)	Displacement of [3H]progesterone from human His-progesterone receptor B after 4 hrs by liquid scintillation counting
50043587	5	ChEMBL_1275505 (CHEMBL3090520)	Displacement of [3H]dexamethasone from GST-tagged human glucocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting
50043587	6	ChEMBL_1275504 (CHEMBL3090519)	Antagonist activity at human mineralocorticoid receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene assay in presence of serum
50043588	1	ChEMBL_1275524 (CHEMBL3090539)	Inhibition of recombinant mouse PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assay
50043588	2	ChEMBL_1275525 (CHEMBL3090540)	Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by fluorescence assay
50043588	3	ChEMBL_1275520 (CHEMBL3090535)	Agonist activity at human PXR
50043588	4	ChEMBL_1275521 (CHEMBL3090536)	Inhibition of CYP2D6 (unknown origin)
50043588	5	ChEMBL_1275522 (CHEMBL3090537)	Inhibition of CYP2C9 (unknown origin)
50043589	1	ChEMBL_1275555 (CHEMBL3090620)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 30 mins post NADPH addition followed by substrate addition measured after 5 mins by LC/MS/MS analysis
50043589	2	ChEMBL_1275556 (CHEMBL3090621)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 30 mins followed by NADPH and substrate addition measured after 5 mins by LC/MS/MS analysis
50043589	3	ChEMBL_1275683 (CHEMBL3090854)	Inhibition of ABL (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	4	ChEMBL_1275547 (CHEMBL3090612)	Inhibition of CYP2D6 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	5	ChEMBL_1275548 (CHEMBL3090613)	Inhibition of CYP2D6 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	6	ChEMBL_1275549 (CHEMBL3090614)	Inhibition of CYP2C19 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	7	ChEMBL_1275550 (CHEMBL3090615)	Inhibition of CYP2C19 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	8	ChEMBL_1275551 (CHEMBL3090616)	Inhibition of CYP1A2 in human liver microsomes incubated for 30 mins post NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	9	ChEMBL_1275552 (CHEMBL3090617)	Inhibition of CYP1A2 in human liver microsomes preincubated for 30 mins followed by NADPH addition measured after 5 mins by LC/MS/MS analysis
50043589	10	ChEMBL_1275684 (CHEMBL3090855)	Inhibition of BRK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	11	ChEMBL_1275689 (CHEMBL3090900)	Inhibition of FAK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	12	ChEMBL_1275691 (CHEMBL3090902)	Inhibition of InsR (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	13	ChEMBL_1275692 (CHEMBL3090903)	Inhibition of IGF1R (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	14	ChEMBL_1275693 (CHEMBL3090904)	Inhibition of DDR1 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	15	ChEMBL_1275694 (CHEMBL3090905)	Inhibition of MET (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	16	ChEMBL_1275695 (CHEMBL3090906)	Inhibition of RON (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	17	ChEMBL_1275696 (CHEMBL3090907)	Inhibition of AXL (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	18	ChEMBL_1275699 (CHEMBL3090910)	Inhibition of FLT3 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	19	ChEMBL_1275703 (CHEMBL3090914)	Inhibition of EGFR (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	20	ChEMBL_1275704 (CHEMBL3090915)	Inhibition of CDK-2 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	21	ChEMBL_1275705 (CHEMBL3090916)	Inhibition of CDK-1 (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043589	22	ChEMBL_1275709 (CHEMBL3090920)	Inhibition of ALK (unknown origin) after 90 mins by TR-FRET/IMAP fluorescence polarization assay
50043590	1	ChEMBL_1275870 (CHEMBL3089951)	Inhibition of human erythrocyte CuZn-SOD assessed as reduction of nitrobluetetrazolium measured for 10 mins by spectrophotometric analysis
50043591	1	ChEMBL_1276073 (CHEMBL3089065)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method
50043591	2	ChEMBL_1276074 (CHEMBL3089066)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman's method
50043591	3	ChEMBL_1276069 (CHEMBL3089061)	Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Lineweaver-Burk plot analysis
50043592	1	ChEMBL_1276096 (CHEMBL3089088)	Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells
50043593	1	ChEMBL_1276445 (CHEMBL3088541)	Inhibition of sphingosine kinase 2 (unknown origin) using sphingosine as substrate after 30 mins in presence of [gamma32P]-ATP
50043593	2	ChEMBL_1276446 (CHEMBL3088542)	Inhibition of recombinant sphingosine kinase 1 (unknown origin) expressed in HEK293 cells using sphingosine as substrate after 30 mins in presence of [gamma32P]-ATP
50043593	3	ChEMBL_1276448 (CHEMBL3088544)	Inhibition of sphingosine kinase 1 (unknown origin)
50043594	1	ChEMBL_1276604 (CHEMBL3088889)	Displacement of [125I]Tyr10-NPS from human neuropeptide S receptor expressed in CHO cells after 1.5 hrs by liquid scintillation counting
50043594	2	ChEMBL_1276605 (CHEMBL3088890)	Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced ERK activation after 20 mins by HTRF assay
50043594	3	ChEMBL_1276606 (CHEMBL3088891)	Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as inhibition of NPS-induced calcium mobilization after 10 mins by fluorescence assay
50043594	4	ChEMBL_1276607 (CHEMBL3088892)	Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered saline assay
50043594	5	ChEMBL_1276613 (CHEMBL3088898)	Displacement of [125I]Tyr10-NPS from neuropeptide S receptor (unknown origin)
50043595	1	ChEMBL_1277125 (CHEMBL3088701)	Antagonist activity at human TLR4 expressed in LPS-stimulated HEK293 cells co-expressing MDM2 and CD14 after 2 hrs by SEAP assay
50043596	1	ChEMBL_1277129 (CHEMBL3088705)	Inhibition of human thymidine phosphorylase
50043596	2	ChEMBL_1277131 (CHEMBL3088707)	Non competitive inhibition of human recombinant thymidine phosphorylase using thymidine as substrate after 20 to 60 mins by HPLC analysis
50043596	3	ChEMBL_1277133 (CHEMBL3088709)	Competitive inhibition of human thymidine phosphorylase in presence of thymidine
50043596	4	ChEMBL_1277134 (CHEMBL3088710)	Inhibition of thymidine phosphorylase (unknown origin)
50043597	1	ChEMBL_1277307 (CHEMBL3089268)	Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins followed by ATP addition measured after 15 mins by luciferase-derived luminescence assay
50043598	1	ChEMBL_1274642 (CHEMBL3089978)	Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay
50043598	2	ChEMBL_1274643 (CHEMBL3089979)	Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay
50043598	3	ChEMBL_1274640 (CHEMBL3089976)	Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay
50043598	4	ChEMBL_1274641 (CHEMBL3089977)	Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay
50043599	1	ChEMBL_1274668 (CHEMBL3090067)	Inhibition of recombinant human PTP1B by malachite green assay
50043600	1	ChEMBL_1274834 (CHEMBL3090408)	Inhibition of jack bean urease assessed as ammonia production after 30 mins by indophenol method
50043601	1	ChEMBL_1275024 (CHEMBL3090782)	Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins
50043601	2	ChEMBL_1274882 (CHEMBL3090492)	Inhibition of autophosphorylation of N-terminal Myc tagged wild type aurora-A at T288 in human HCT116 cells after 2 hrs
50043601	3	ChEMBL_1275010 (CHEMBL3090734)	Inhibition of FLT3 (unknown origin) at 1 uM
50043601	4	ChEMBL_1275015 (CHEMBL3090773)	Inhibition of N-terminal Myc tagged aurora-B-mediated histone H3 phosphorylation at S10 in human HCT116 cells after 2 hrs
50043601	5	ChEMBL_1275016 (CHEMBL3090774)	Inhibition of autophosphorylation of N-terminal Myc tagged aurora-A at T288 in human HCT116 cells after 2 hrs
50043601	6	ChEMBL_1275018 (CHEMBL3090776)	Inhibition of N-terminal Myc tagged aurora-B-mediated histone H3 phosphorylation at S10 in human HeLa cells after 2 hrs
50043601	7	ChEMBL_1275019 (CHEMBL3090777)	Inhibition of autophosphorylation of N-terminal Myc tagged aurora-A at T288 in human HeLa cells after 2 hrs
50043601	8	ChEMBL_1275021 (CHEMBL3090779)	Inhibition of N-terminal Myc tagged aurora-B (unknown origin)-mediated histone H3 phosphorylation at S10 after 2 hrs
50043601	9	ChEMBL_1275022 (CHEMBL3090780)	Inhibition of autophosphorylation of N-terminal Myc tagged aurora-A at T288 (unknown origin) after 2 hrs
50043601	10	ChEMBL_1275023 (CHEMBL3090781)	Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins
50043602	1	ChEMBL_1275221 (CHEMBL3091193)	Inhibition of ROCK2 (unknown origin)
50043603	1	ChEMBL_1275227 (CHEMBL3091199)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins prior to substrate addition by Ellman's method
50043603	2	ChEMBL_1275228 (CHEMBL3091200)	Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method
50043604	1	ChEMBL_1275240 (CHEMBL3091212)	Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins
50043605	1	ChEMBL_1275399 (CHEMBL3090248)	Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubated for 10 mins before substrate addition measured after 10 mins by capillary electrophoresis
50043605	2	ChEMBL_1275400 (CHEMBL3090249)	Inhibition of human recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubated for 10 mins before substrate addition measured after 10 mins by capillary electrophoresis
50043606	1	ChEMBL_1275583 (CHEMBL3090684)	Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP substrate after 30 mins by spectrophotometry
50043607	1	ChEMBL_1278919 (CHEMBL3097219)	Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay
50043607	2	ChEMBL_1278918 (CHEMBL3097218)	Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production
50043607	3	ChEMBL_1278920 (CHEMBL3097220)	Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins
50043607	4	ChEMBL_1278923 (CHEMBL3097223)	Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection
50043607	5	ChEMBL_1278926 (CHEMBL3097226)	Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay
50043607	6	ChEMBL_1278928 (CHEMBL3097228)	Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay
50043608	1	ChEMBL_1279150 (CHEMBL3095085)	Inhibition of c-Met phosphorylation in human MKN845 cells after 1 hr by western blotting
50043608	2	ChEMBL_1279141 (CHEMBL3095076)	Inhibition of full-length AXL (unknown origin) phosphorylation expressed in MEF after 90 mins by Sandwich-ELISA
50043608	3	ChEMBL_1279142 (CHEMBL3095077)	Inhibition of NPM-fused ALK phosphorylation (unknown origin) expressed in human karpas 299 cells after 90 mins by Sandwich-ELISA
50043608	4	ChEMBL_1279143 (CHEMBL3095078)	Inhibition of c-Met phosphorylation in human MKN845 cells after 90 mins by Sandwich-ELISA
50043608	5	ChEMBL_1279144 (CHEMBL3095079)	Inhibition of human AXL (unknown origin) using EAIYAAPFAKKK peptide as substrate by nanoliter kinase assay
50043608	6	ChEMBL_1279146 (CHEMBL3095081)	Inhibition of human c-Met using KKKSPGEYVNIEFG peptide as substrate by nanoliter kinase assay
50043609	1	ChEMBL_1279153 (CHEMBL3095088)	Binding affinity to human HSC70 after 3 hrs by ELISA
50043610	1	ChEMBL_1279177 (CHEMBL3095278)	Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by haTRAP addition measured for 10 mins by spectrophotometric analysis
50043610	2	ChEMBL_1279178 (CHEMBL3095279)	Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by haTRAP addition measured for 10 mins by spectrophotometric analysis
50043610	3	ChEMBL_1279179 (CHEMBL3095280)	Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis
50043611	1	ChEMBL_1279400 (CHEMBL3096556)	Activation of PXR (unknown origin)
50043612	1	ChEMBL_1279419 (CHEMBL3096575)	Agonist activity at GPR39 in human HT-29 cells assessed as increase in intracellular Ca2+ mobilization after 72 hrs by FLIPR assay
50043612	2	ChEMBL_1279424 (CHEMBL3096580)	Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced cAMP production preincubated for 30 mins measured after 60 mins
50043612	3	ChEMBL_1279426 (CHEMBL3096582)	Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed as increase of Zn2+-induced intracellular Ca+2 mobilization after 1 hr by Fluo-4 No staining-based FLIPR assay
50043613	1	ChEMBL_1279429 (CHEMBL3096585)	Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC-MS/MS analysis
50043613	2	ChEMBL_1279430 (CHEMBL3096586)	Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC-MS/MS analysis
50043613	3	ChEMBL_1279431 (CHEMBL3096587)	Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader
50043615	1	ChEMBL_1279842 (CHEMBL3095701)	Inhibition of recombinant human SGK1 (S61 to L431, S422D) expressed in human U20S cells assessed as inhibition of GSK3beta phosphorylation after 6 hrs by fluorescence assay
50043615	2	ChEMBL_1279843 (CHEMBL3095702)	Inhibition of recombinant human SGK-1 expressed in baculovirus expression system using (5(6)-carboxyfluorescein)-RPRAATF-NH2 as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence assay
50043616	1	ChEMBL_1280768 (CHEMBL3097752)	Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	2	ChEMBL_1280769 (CHEMBL3097753)	Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	3	ChEMBL_1280770 (CHEMBL3097754)	Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	4	ChEMBL_1280772 (CHEMBL3097756)	Inhibition of human recombinant CDK9/cyclin T using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate
50043616	5	ChEMBL_1280773 (CHEMBL3097757)	Inhibition of human recombinant CDK5/p25 using [gamma-33P]-ATP after 30 mins by scintillation counting
50043616	6	ChEMBL_1280774 (CHEMBL3097758)	Inhibition of human recombinant CDK2/cyclin A using [gamma-33P]-ATP after 30 mins by scintillation counting
50043616	7	ChEMBL_1280763 (CHEMBL3097747)	Inhibition of human recombinant DYRK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	8	ChEMBL_1280764 (CHEMBL3097748)	Inhibition of human recombinant DYRK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	9	ChEMBL_1280765 (CHEMBL3097749)	Inhibition of human recombinant DYRK1B expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	10	ChEMBL_1280766 (CHEMBL3097750)	Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043616	11	ChEMBL_1280767 (CHEMBL3097751)	Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043617	1	ChEMBL_1277971 (CHEMBL3095009)	Inhibition of Cdc7-mediated MCM2 phosphorylation at Ser53 in human HCT116 cells after 14 hrs by immunostaining assay
50043617	2	ChEMBL_1277972 (CHEMBL3095010)	Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay
50043617	3	ChEMBL_1277967 (CHEMBL3095005)	Inhibition of CDK9/cyclin T1 (unknown origin) using 4eBP1 ULight peptide as substrate by HTRF assay
50043617	4	ChEMBL_1277968 (CHEMBL3095006)	Inhibition of CDK1/cyclin B (unknown origin) by HTRF assay
50043617	5	ChEMBL_1277969 (CHEMBL3095007)	Inhibition of CDK2/cyclin E (unknown origin) using ULight peptide as substrate by HTRF assay
50043618	1	ChEMBL_1278344 (CHEMBL3097183)	Agonist activity at human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells by FLIPR assay
50043618	2	ChEMBL_1278461 (CHEMBL3094568)	Agonist activity at human wild type 5-HT3A receptor expressed in HEK293 cells by FLIPR assay
50043618	3	ChEMBL_1278469 (CHEMBL3094576)	Binding affinity to human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis
50043618	4	ChEMBL_1278482 (CHEMBL3094589)	Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis
50043618	5	ChEMBL_1278324 (CHEMBL3097163)	Antagonist activity at human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay
50043618	6	ChEMBL_1278336 (CHEMBL3097175)	Antagonist activity at human wild type 5-HT3A receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced response after 45 mins by FLIPR assay
50043619	1	ChEMBL_1278503 (CHEMBL3094810)	Inhibition of horse serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman method
50043619	2	ChEMBL_1278504 (CHEMBL3094811)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured every 1 min by Ellman method
50043620	1	ChEMBL_1278511 (CHEMBL3094818)	Binding affinity to human 5HT3
50043620	2	ChEMBL_1278685 (CHEMBL3095863)	Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes
50043621	1	ChEMBL_1279487 (CHEMBL3097012)	Mixed-type inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Lineweaver-Burk plot analysis
50043621	2	ChEMBL_1279490 (CHEMBL3097015)	Inhibition of equine serum BChE using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method
50043621	3	ChEMBL_1279651 (CHEMBL3094639)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition by Ellman's method
50043622	1	ChEMBL_1279690 (CHEMBL3094880)	Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using Stearoyl-[9,10-3H]-CoA as substrate assessed as [3H2O] generation
50043623	1	ChEMBL_1279907 (CHEMBL3096167)	Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylcoumarin after 20 mins by fluorometric assay
50043623	2	ChEMBL_1279908 (CHEMBL3096168)	Inhibition of 6xHis-tagged recombinant DPP9 (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Ala-Pro-aminomethylcoumarin preincubated for 20 mins followed by Gly-PropNA3 Tos addition measured after 90 mins by fluorometric assay
50043623	3	ChEMBL_1279909 (CHEMBL3096169)	Inhibition of 6xHis-tagged recombinant DPP8 (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Ala-Pro-aminomethylcoumarin preincubated for 20 mins followed by Gly-PropNA3 Tos addition measured after 90 mins by fluorometric assay
50043624	1	ChEMBL_1280131 (CHEMBL3097702)	Displacement of [3H]nicotine from alpha4beta2 nAChR expressed in human SH-EP1 clonal cell membranes after 2 to 3 hrs by liquid scintillation counting analysis
50043624	2	ChEMBL_1280137 (CHEMBL3097708)	Binding affinity to alpha7 nAChR (unknown origin)
50043624	3	ChEMBL_1280139 (CHEMBL3097710)	Binding affinity to alpha3beta4 nAChR (unknown origin)
50043624	4	ChEMBL_1280140 (CHEMBL3097711)	Binding affinity to alpha4beta2 nAChR (unknown origin)
50043625	1	ChEMBL_1280332 (CHEMBL3095347)	Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method
50043626	1	ChEMBL_1280374 (CHEMBL3095534)	Displacement of [3H]R-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortical membranes after 45 mins by liquid scintillation spectrometry
50043626	2	ChEMBL_1280376 (CHEMBL3095536)	Inhibition of human CYP2D6
50043626	3	ChEMBL_1280381 (CHEMBL3095541)	Antagonist activity at human recombinant histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced effect by FLIPR assay
50043627	1	ChEMBL_1280599 (CHEMBL3096860)	Inhibition of NAMPT in human HepG2 cells using [14C]-nicotinamide/PRPP as substrate assessed as formation of [14C]-nicotinamide mononucleotide after 1 hr by liquid scintillation counting analysis
50043628	1	ChEMBL_1280808 (CHEMBL3097972)	Inhibition of human recombinant N-terminal His-tagged XIAP BIR3 domain (252 to 356) using AVPIAQ-K(biotin)-NH2 as substrate after overnight incubation by HTRF assay
50043629	1	ChEMBL_1277572 (CHEMBL3096448)	Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after 1 min by RP-HPLC analysis
50043629	2	ChEMBL_1277573 (CHEMBL3096449)	Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to substrate addition measured after 10 mins by HPLC analysis
50043629	3	ChEMBL_1277574 (CHEMBL3096450)	Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to substrate addition measured after 10 mins by HPLC analysis
50043629	4	ChEMBL_1277575 (CHEMBL3096451)	Inhibition of mPGES-1 (unknown origin)
50043629	5	ChEMBL_1277577 (CHEMBL3096453)	Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes
50043630	1	ChEMBL_1277819 (CHEMBL3097585)	Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay
50043630	2	ChEMBL_1277822 (CHEMBL3097588)	Inhibition of factor-10a (unknown origin)
50043630	3	ChEMBL_1277622 (CHEMBL3096696)	Inhibition of plasmin (unknown origin)
50043630	4	ChEMBL_1277625 (CHEMBL3096699)	Inhibition of t-PA (unknown origin)
50043631	1	ChEMBL_1277839 (CHEMBL3097773)	Inhibition of recombinant human CYP2D6
50043631	2	ChEMBL_1277835 (CHEMBL3097769)	Inhibition of CK1 (unknown origin)
50043631	3	ChEMBL_1277841 (CHEMBL3097775)	Inhibition of recombinant human CYP1A2
50043632	1	ChEMBL_1277855 (CHEMBL3097789)	Inhibition of SHH signaling pathway in mouse NIH3T3 cells measured after 48 hrs by Gli-luciferase reporter assay
50043633	1	ChEMBL_1278185 (CHEMBL3096256)	Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP as substrate after 30 mins by scintillation counting analysis
50043633	2	ChEMBL_1278067 (CHEMBL3095418)	Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 30 mins by scintillation counting analysis
50043633	3	ChEMBL_1278068 (CHEMBL3095419)	Inhibition of human recombinant GST-tagged CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043634	1	ChEMBL_1278203 (CHEMBL3096274)	Inhibition of full-length Mps1 kinase (unknown origin)
50043635	1	ChEMBL_1278227 (CHEMBL3096486)	Binding affinity to TrkB receptor extracellular domain (unknown origin) after 10 mins by liquid Scatchard plot analysis
50043636	1	ChEMBL_1278396 (CHEMBL3097608)	Inhibition of mPGES-1 in human HeLa cells using PGH2 as substrate assessed as inhibition of IL-1beta/TNFalpha-stimulated PGE2 production preincubated for 30 mins followed by substrate addition measured after 1 min by LC-MS/MS analysis
50043637	1	ChEMBL_1278524 (CHEMBL3094831)	Inhibition of intestinal alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubated for 10 mins prior to substrate addition measured after 5 seconds by spectrophotometric analysis
50043637	2	ChEMBL_1278525 (CHEMBL3094832)	Inhibition of intestinal alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubated for 10 mins prior to substrate addition measured after 5 seconds by spectrophotometric analysis
50043637	3	ChEMBL_1278526 (CHEMBL3095033)	Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 10.4 incubated for 10 mins prior to substrate addition measured after 5 seconds by spectrophotometric analysis
50043637	4	ChEMBL_1278527 (CHEMBL3095034)	Inhibition of placental alkaline phosphatase (unknown origin) assessed as para nitrophenylphosphate conversion to p-nitrophenolate at pH 7.8 incubated for 10 mins prior to substrate addition measured after 5 seconds by spectrophotometric analysis
50043638	1	ChEMBL_1278553 (CHEMBL3095060)	Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043638	2	ChEMBL_1278533 (CHEMBL3095040)	Inhibition of IGF1R (unknown origin) expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043638	3	ChEMBL_1278536 (CHEMBL3095043)	Inhibition of recombinant PDGFR-alpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043638	4	ChEMBL_1278539 (CHEMBL3095046)	Inhibition of recombinant ABL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043638	5	ChEMBL_1278540 (CHEMBL3095047)	Inhibition of recombinant RON (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043638	6	ChEMBL_1278541 (CHEMBL3095048)	Inhibition of recombinant RET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50043639	1	ChEMBL_1278743 (CHEMBL3096117)	Inhibition of MRP1 in human 2008 cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluorescence assay
50043639	2	ChEMBL_1278744 (CHEMBL3096291)	Inhibition of MDR1 in human doxorubicin-resistant A2780adr cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluorescence assay
50043639	3	ChEMBL_1278746 (CHEMBL3096293)	Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to 120 mins by fluorescence assay
50043639	4	ChEMBL_1278745 (CHEMBL3096292)	Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A accumulation treated 30 mins before pheophorbide A addition measured up to 120 mins by flow cytometry
50043640	1	ChEMBL_1278750 (CHEMBL3096297)	Inhibition of full length ATRD1 (unknown origin)
50043640	2	ChEMBL_1278751 (CHEMBL3096298)	Inhibition of catalytic domain of ATRD1 (unknown origin)
50043640	3	ChEMBL_1278752 (CHEMBL3096299)	Inhibition of full length ATRD3 (unknown origin)
50043641	1	ChEMBL_1278783 (CHEMBL3096330)	Inhibition of rhesus monkey brain PDE2A3 using FAM-labeled cAMP as substrate after 60 mins by fluorescence polarization assay
50043641	2	ChEMBL_1278787 (CHEMBL3096516)	Inhibition of recombinant rat PDE10A expressed in baculovirus infected insect SF9 cells using [3H]-cAMP as substrate after 60 mins by scintillation proximity assay
50043642	1	ChEMBL_1279266 (CHEMBL3095674)	Binding affinity to dopamine D2 receptor (unknown origin)
50043643	1	ChEMBL_1279517 (CHEMBL3097236)	Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043643	2	ChEMBL_1279518 (CHEMBL3097237)	Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043643	3	ChEMBL_1279519 (CHEMBL3097238)	Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043643	4	ChEMBL_1279504 (CHEMBL3097029)	Inhibition of Mer kinase phosphorylation in human 697 B-ALL cells after 1 hr by Western blot analysis
50043644	1	ChEMBL_1279734 (CHEMBL3095124)	Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucose addition measured after 30 mins by liquid scintillation counting analysis
50043645	1	ChEMBL_1279975 (CHEMBL3096610)	Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells at 0.07 Hz by whole-cell patch-clamp assay
50043645	2	ChEMBL_1279974 (CHEMBL3096609)	Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells by FDSS assay
50043646	1	ChEMBL_1280424 (CHEMBL3095736)	Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50043646	2	ChEMBL_1280423 (CHEMBL3095735)	Inhibition of Saccharomyces cerevisiae carbonic anhydrase SceCA preincubated for 15 mins by stopped flow CO2 hydration assay
50043646	3	ChEMBL_1280426 (CHEMBL3095738)	Inhibition of Methanobacterium thermoautotrophicum beta-carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
50043647	1	ChEMBL_1280625 (CHEMBL3096886)	Inhibition of ALK (unknown origin)
50043647	2	ChEMBL_1280626 (CHEMBL3096887)	Inhibition of c-Met (unknown origin)
50043647	3	ChEMBL_1280627 (CHEMBL3096888)	Inhibition of GRK-5 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRET assay
50043647	4	ChEMBL_1280628 (CHEMBL3096889)	Inhibition of GRK-2 (unknown origin) preincubated with enzyme for 10 mins before adding peptide substrate and ATP measured after 1 hr by LANCE-TR-FRET assay
50043648	1	ChEMBL_1280895 (CHEMBL3095193)	Inhibition of full length human endothelial lipase transfected in HEK293 cells using PED-A1 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50043648	2	ChEMBL_1280886 (CHEMBL3095184)	Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate addition measured after 2 hrs
50043648	3	ChEMBL_1280893 (CHEMBL3095191)	Inhibition of recombinant human hepatic lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
50043648	4	ChEMBL_1280894 (CHEMBL3095192)	Inhibition of recombinant human lipoprotein lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
50043648	5	ChEMBL_1280896 (CHEMBL3095194)	Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
50043649	1	ChEMBL_1277658 (CHEMBL3096900)	Activation of human CaSR
50043650	1	ChEMBL_1277677 (CHEMBL3096919)	Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
50043650	2	ChEMBL_1277674 (CHEMBL3096916)	Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs
50043650	3	ChEMBL_1277676 (CHEMBL3096918)	Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
50043650	4	ChEMBL_1277675 (CHEMBL3096917)	Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
50043651	1	ChEMBL_1277898 (CHEMBL3094548)	Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 60 mins followed by 1000 uM of ATP addition measured after 20 mins by AlphaScreen assay
50043651	2	ChEMBL_1277899 (CHEMBL3094549)	Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 20 mins by AlphaScreen assay
50043651	3	ChEMBL_1277903 (CHEMBL3094553)	Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 2 uM of ATP addition measured after 20 mins by AlphaScreen assay
50043652	1	ChEMBL_1277909 (CHEMBL3094753)	Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
50043652	2	ChEMBL_1277907 (CHEMBL3094557)	Antagonist activity at CRTH2 in human TH2 cells assessed as inhibition of PGD2-induced chemotaxis after 1 hr by hemocytometry
50043652	3	ChEMBL_1277908 (CHEMBL3094752)	Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM dye-based assay
50043652	4	ChEMBL_1277906 (CHEMBL3094556)	Binding affinity to DP1 receptor (unknown origin)
50043653	1	ChEMBL_1277931 (CHEMBL3094775)	Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043653	2	ChEMBL_1277932 (CHEMBL3094776)	Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043653	3	ChEMBL_1277920 (CHEMBL3094764)	Inhibition of Mer kinase phosphorylation in human 697 B-ALL cells after 1 hr by Western blot analysis
50043653	4	ChEMBL_1277930 (CHEMBL3094774)	Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
50043654	1	ChEMBL_1278099 (CHEMBL3095597)	Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50043654	2	ChEMBL_1278100 (CHEMBL3095598)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method
50043655	1	ChEMBL_1278120 (CHEMBL3095808)	Inhibition of human kallikrein using H-Pro-Phe-Arg-AMC acetate salt as substrate measured for 30 mins by spectrophotometry
50043655	2	ChEMBL_1278124 (CHEMBL3095812)	Inhibition of human cathepsin G using Suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate incubated for 30 mins prior to substrate addition measured for 30 mins by spectrophotometry
50043655	3	ChEMBL_1278123 (CHEMBL3095811)	Inhibition of human proteinase 3 using N-MeOSuc-Ala-Ala-Pro-Val-p-nitroanilide as substrate measured for 30 mins by spectrophotometry
50043655	4	ChEMBL_1278122 (CHEMBL3095810)	Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for 30 mins by fluorescence assay
50043656	1	ChEMBL_1278248 (CHEMBL3096507)	Inhibition of mouse cathepsin-S using Z-Val-Val-Arg-AMC as substrate up to 20 mins by fluorescence assay
50043657	1	ChEMBL_1278585 (CHEMBL3095266)	Binding affinity to human 5-LOX-linoleic acid complex
50043657	2	ChEMBL_1278586 (CHEMBL3095267)	Binding affinity to human 5-LOX using linoleic acid as substrate
50043658	1	ChEMBL_1279071 (CHEMBL3094620)	Inhibition of mouse Oct1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis
50043658	2	ChEMBL_1279072 (CHEMBL3094621)	Inhibition of mouse Mate1 transfected in HEK293 cells assessed as uptake of [14C]-TEA preincubated for 15 mins by liquid scintillation counting analysis
50043659	1	ChEMBL_1279079 (CHEMBL3094628)	Inhibition of CYP1A2 (unknown origin) after 20 mins by fluorescence assay
50043660	1	ChEMBL_1279577 (CHEMBL3097490)	Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system after 3 hrs by scintillation counting analysis
50043660	2	ChEMBL_1279576 (CHEMBL3097489)	Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed as inhibition of SRC1 co-activator peptide recruitment after 3 hrs by TR-FRET analysis
50043660	3	ChEMBL_1279565 (CHEMBL3097478)	Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	4	ChEMBL_1279567 (CHEMBL3097480)	Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	5	ChEMBL_1279569 (CHEMBL3097482)	Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	6	ChEMBL_1279571 (CHEMBL3097484)	Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	7	ChEMBL_1279572 (CHEMBL3097485)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	8	ChEMBL_1279573 (CHEMBL3097486)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043660	9	ChEMBL_1279574 (CHEMBL3097487)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-glo luciferase reporter gene assay
50043661	1	ChEMBL_1279586 (CHEMBL3097668)	Inhibition of DYRK1A (unknown origin)
50043661	2	ChEMBL_1279587 (CHEMBL3097669)	Inhibition of DYRK1B (unknown origin)
50043662	1	ChEMBL_1279594 (CHEMBL3097676)	Inhibition of progesterone receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay
50043662	2	ChEMBL_1279595 (CHEMBL3097677)	Inhibition of glucocorticoid receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay
50043662	3	ChEMBL_1279588 (CHEMBL3097670)	Inhibition of glucocorticoid receptor (unknown origin)
50043662	4	ChEMBL_1279592 (CHEMBL3097674)	Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as IL-1-mediated IL-6 synthesis after 24 hrs
50043662	5	ChEMBL_1279593 (CHEMBL3097675)	Inhibition of mineralocorticoid receptor (unknown origin) expressed in baculovirus-infected insect cells by fluorescence polarization assay
50043663	1	ChEMBL_1279808 (CHEMBL3095509)	Activation of glucokinase in rat INS-1 cells assessed as glucose-stimulated insulin secretion
50043663	2	ChEMBL_1279814 (CHEMBL3095515)	Activation of recombinant human glucokinase by G6PDH/NADP coupled assay
50043663	3	ChEMBL_1279785 (CHEMBL3095486)	Activation of glucokinase in Wistar rat hepatocytes assessed as nuclear to cytosolic translocation of protein by immunofluorescence assay
50043664	1	ChEMBL_1280009 (CHEMBL3096836)	Antagonist activity at recombinant human P2X7 receptor assessed as inhibition of BzATP-mediated Yo-Pro uptake measured for 1 hr by FLIPR assay
50043664	2	ChEMBL_1280017 (CHEMBL3096844)	Antagonist activity at human P2X3 receptor
50043664	3	ChEMBL_1280018 (CHEMBL3096845)	Antagonist activity at mouse P2X1 receptor
50043664	4	ChEMBL_1280010 (CHEMBL3096837)	Antagonist activity at recombinant human P2X3 receptor transfected in human 1321N1 cells assessed as inhibition of alpha, beta me-ATP-induced current by whole-cell patch-clamp method
50043664	5	ChEMBL_1280008 (CHEMBL3096835)	Antagonist activity at recombinant rat P2X1 receptor expressed in Xenopus oocytes assessed as ion flux stimulation
50043664	6	ChEMBL_1280014 (CHEMBL3096841)	Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated for 20 mins followed by ATP addition by two-electrode voltage clamp assay
50043664	7	ChEMBL_1280016 (CHEMBL3096843)	Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated for 20 mins followed by ATP addition by two-electrode voltage clamp assay
50043664	8	ChEMBL_1280012 (CHEMBL3096839)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced accumulation of ethidium+ after 120 mins by fluorescence assay
50043665	1	ChEMBL_1280207 (CHEMBL3094688)	Inhibition of CYP2D6 in human liver microsomes measured after compound pre-incubation
50043665	2	ChEMBL_1280208 (CHEMBL3094689)	Inhibition of rat CYP2D4 measured after compound pre-incubation
50043665	3	ChEMBL_1280209 (CHEMBL3094690)	Inhibition of CYP2CJ in human liver microsomes measured after compound pre-incubation
50043665	4	ChEMBL_1280210 (CHEMBL3094691)	Inhibition of CYP2C9 in human liver microsomes measured after compound pre-incubation
50043665	5	ChEMBL_1280212 (CHEMBL3094693)	Inhibition of CYP1A2 in human liver microsomes measured after compound pre-incubation
50043665	6	ChEMBL_1280214 (CHEMBL3094695)	Inhibition of CYP2D6 in human liver microsomes measured after concurrent incubation
50043665	7	ChEMBL_1280215 (CHEMBL3094696)	Inhibition of rat CYP2D4 measured after concurrent incubation
50043665	8	ChEMBL_1280216 (CHEMBL3094697)	Inhibition of CYP2CJ in human liver microsomes measured after concurrent incubation
50043665	9	ChEMBL_1280217 (CHEMBL3094698)	Inhibition of CYP2C9 in human liver microsomes measured after concurrent incubation
50043665	10	ChEMBL_1280219 (CHEMBL3094700)	Inhibition of CYP1A2 in human liver microsomes measured after concurrent incubation
50043665	11	ChEMBL_1280211 (CHEMBL3094692)	Inhibition of CYP2C8 in human liver microsomes measured after compound pre-incubation
50043665	12	ChEMBL_1280218 (CHEMBL3094699)	Inhibition of CYP2C8 in human liver microsomes measured after concurrent incubation
50043666	1	ChEMBL_1280455 (CHEMBL3095767)	Inhibition of TP receptor (unknown origin)
50043666	2	ChEMBL_1280459 (CHEMBL3095953)	Inhibition of human CYP2D6
50043666	3	ChEMBL_1280460 (CHEMBL3095954)	Inhibition of human CYP2C19
50043666	4	ChEMBL_1280461 (CHEMBL3095955)	Inhibition of human CYP2C9
50043666	5	ChEMBL_1280462 (CHEMBL3095956)	Inhibition of human CYP1A2
50043667	1	ChEMBL_1280698 (CHEMBL3097331)	Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP
50043667	2	ChEMBL_1280702 (CHEMBL3097335)	Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation measured after 5 mins
50043668	1	ChEMBL_1280717 (CHEMBL3097526)	Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate after 1 hr
50043668	2	ChEMBL_1280711 (CHEMBL3097520)	Inhibition of mouse IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs
50043668	3	ChEMBL_1280712 (CHEMBL3097521)	Inhibition of human IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs
50043669	1	ChEMBL_1277478 (CHEMBL3095801)	Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis
50043669	2	ChEMBL_1277479 (CHEMBL3095999)	Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay
50043670	1	ChEMBL_1277497 (CHEMBL3096017)	Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method
50043671	1	ChEMBL_1277742 (CHEMBL3097342)	Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillation spectrometry
50043671	2	ChEMBL_1277729 (CHEMBL3097145)	Binding affinity to human histamine H2 receptor
50043671	3	ChEMBL_1277728 (CHEMBL3097144)	Binding affinity to human histamine H1 receptor
50043671	4	ChEMBL_1277730 (CHEMBL3097146)	Displacement of [3H]-R-alpha-ethylhistamine from rat histamine H3 receptor expressed in HEK293 cells after 45 mins by liquid scintillation spectrometry
50043672	1	ChEMBL_1277744 (CHEMBL3097344)	Inhibition of human TGase1
50043672	2	ChEMBL_1277746 (CHEMBL3097346)	Inhibition of factor13a (unknown origin)
50043672	3	ChEMBL_1277745 (CHEMBL3097345)	Inhibition of human TGase2
50043674	1	ChEMBL_1281386 (CHEMBL3101481)	Inhibition of matriptase-SP1 (615 to 855) (unknown origin) expressed in Escherichia coli BL21(DE3) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide as substrate by fluorescence assay
50043674	2	ChEMBL_1281384 (CHEMBL3101479)	Inhibition of factor 10a (unknown origin) using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate
50043675	1	ChEMBL_1281399 (CHEMBL3101628)	Agonist activity at wild type TGR5 (unknown origin)
50043676	1	ChEMBL_1281541 (CHEMBL3102107)	Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis
50043676	2	ChEMBL_1281542 (CHEMBL3102108)	Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured for 30 minutes by fluorescence assay
50043677	1	ChEMBL_1281547 (CHEMBL3102113)	Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry
50043678	1	ChEMBL_1281751 (CHEMBL3100520)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 20 mins by LC-MS/MS analysis
50043678	2	ChEMBL_1281754 (CHEMBL3100523)	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 20 mins by LC-MS/MS analysis
50043678	3	ChEMBL_1281753 (CHEMBL3100522)	Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 20 mins by LC-MS/MS analysis
50043678	4	ChEMBL_1281755 (CHEMBL3100524)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation after 20 mins by LC-MS/MS analysis
50043678	5	ChEMBL_1281756 (CHEMBL3100525)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS/MS analysis
50043678	6	ChEMBL_1281748 (CHEMBL3100517)	Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 20 mins by LC-MS/MS analysis
50043678	7	ChEMBL_1281749 (CHEMBL3100518)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 20 mins by LC-MS/MS analysis
50043678	8	ChEMBL_1281750 (CHEMBL3100519)	Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 20 mins by LC-MS/MS analysis
50043679	5	ChEMBL_1281890 (CHEMBL3101164)	Inhibition of CYP2C9 (unknown origin)
50043679	6	ChEMBL_1281889 (CHEMBL3101163)	Inhibition of CYP2D6 (unknown origin)
50043679	7	ChEMBL_1281893 (CHEMBL3101167)	Inhibition of human CYP19 preincubated for 10 mins followed by protein addition measured after 90 mins by fluorimetric analysis
50043679	8	ChEMBL_1281894 (CHEMBL3101168)	Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA
50043680	1	ChEMBL_1281919 (CHEMBL3101193)	Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) using oligonucleotide as substrate after 10 mins by TR-FRET assay
50043680	2	ChEMBL_1281918 (CHEMBL3101192)	Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay
50043681	1	ChEMBL_1282067 (CHEMBL3101856)	Inhibition of BSEP (unknown origin)
50043681	2	ChEMBL_1282071 (CHEMBL3101860)	Binding affinity to NK1 receptor (unknown origin)
50043681	3	ChEMBL_1282074 (CHEMBL3101863)	Binding affinity to histamine H1 receptor (unknown origin)
50043681	4	ChEMBL_1282075 (CHEMBL3101864)	Binding affinity to dopamine D2 receptor (unknown origin)
50043681	5	ChEMBL_1282076 (CHEMBL3101865)	Binding affinity to CCR2 (unknown origin)
50043681	6	ChEMBL_1282121 (CHEMBL3102005)	Inhibition of PARP2 (unknown origin)
50043681	7	ChEMBL_1282122 (CHEMBL3102006)	Inhibition of PARP1 (unknown origin)
50043682	1	ChEMBL_1282128 (CHEMBL3102012)	Agonist activity at human NPYY1 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs for 360 secs by FLIPR assay
50043682	2	ChEMBL_1282126 (CHEMBL3102010)	Agonist activity at human NPYY4 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs for 360 secs by FLIPR assay
50043682	3	ChEMBL_1282127 (CHEMBL3102011)	Agonist activity at human NPYY2 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs for 360 secs by FLIPR assay
50043682	4	ChEMBL_1282125 (CHEMBL3102009)	Agonist activity at human NPYY5 receptor expressed in HEK293 cells assessed as decrease in isoproterenol-induced cAMP level measured every 30 secs for 360 secs by FLIPR assay
50043683	1	ChEMBL_1282257 (CHEMBL3102606)	Inhibition of recombinant ERK1 (unknown origin) expressed in Escherichia coli
50043683	2	ChEMBL_1282260 (CHEMBL3102609)	Inhibition of recombinant aurora kinase A (unknown origin) expressed in Escherichia coli
50043683	3	ChEMBL_1282261 (CHEMBL3102610)	Inhibition of recombinant IKK2 (unknown origin) expressed in baculovirus expression system
50043684	1	ChEMBL_1282450 (CHEMBL3100877)	Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay
50043684	2	ChEMBL_1282441 (CHEMBL3100742)	Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis
50043684	3	ChEMBL_1282442 (CHEMBL3100743)	Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis
50043684	4	ChEMBL_1282444 (CHEMBL3100871)	Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis
50043684	5	ChEMBL_1282452 (CHEMBL3100879)	Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay
50043684	6	ChEMBL_1282454 (CHEMBL3100881)	Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay
50043684	7	ChEMBL_1282456 (CHEMBL3100883)	Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay
50043685	3	ChEMBL_1283183 (CHEMBL3101094)	Displacement of [3H]SB-674042 from human orexin-1 receptor after 60 mins by scintillation counting analysis
50043685	4	ChEMBL_1283184 (CHEMBL3101095)	Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis
50043686	1	ChEMBL_1283305 (CHEMBL3101446)	Inhibition of SIRT1 (unknown origin) by fluorescence assay
50043687	1	ChEMBL_1283337 (CHEMBL3101602)	Inhibition of wild type EGFR (unknown origin) assessed as inhibition of 33[Pi] incorporation after 60 mins by scintillation counting
50043688	1	ChEMBL_1281078 (CHEMBL3100317)	Inhibition of rat kidney NADPH-dependent aldose reductase assessed as DL-glyceraldehyde conversion to glycerol preincubated for 20 mins followed by NADPH addition measured after 5 mins by UV-Visible spectrophotometric analysis
50043689	1	ChEMBL_1281258 (CHEMBL3100993)	Inhibition of Nampt (unknown origin) using nicotinamide as substrate preincubated for 15 mins measured after 30 mins by mass spectrometry analysis
50043690	1	ChEMBL_1281415 (CHEMBL3101644)	Inhibition of Bcr-Abl (unknown origin) phosphorylation by spectrophotometric assay
50043691	1	ChEMBL_1281453 (CHEMBL3101809)	Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescence polarization assay
50043691	2	ChEMBL_1281454 (CHEMBL3101810)	Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence polarization assay
50043692	1	ChEMBL_1281598 (CHEMBL3102283)	Inhibition of Staphylococcus aureus LigA
50043693	1	ChEMBL_1281634 (CHEMBL3102571)	Competitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plot analysis
50043693	3	ChEMBL_1281636 (CHEMBL3102573)	Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plot analysis
50043693	4	ChEMBL_1281643 (CHEMBL3102580)	Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate
50043693	5	ChEMBL_1281644 (CHEMBL3102581)	Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate
50043694	1	ChEMBL_1281779 (CHEMBL3100682)	Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay
50043694	2	ChEMBL_1281780 (CHEMBL3100683)	Non-competitive inhibition of Bacillus anthracis lethal factor using 3.12 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	3	ChEMBL_1281781 (CHEMBL3100684)	Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysis
50043694	4	ChEMBL_1281772 (CHEMBL3100541)	Non-competitive inhibition of Bacillus anthracis lethal factor using 100 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	5	ChEMBL_1281773 (CHEMBL3100542)	Non-competitive inhibition of Bacillus anthracis lethal factor using 50 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	6	ChEMBL_1281774 (CHEMBL3100543)	Non-competitive inhibition of Bacillus anthracis lethal factor using 25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	7	ChEMBL_1281775 (CHEMBL3100544)	Non-competitive inhibition of Bacillus anthracis lethal factor using 12.5 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	8	ChEMBL_1281776 (CHEMBL3100545)	Non-competitive inhibition of Bacillus anthracis lethal factor using 6.25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot analysis
50043694	9	ChEMBL_1281782 (CHEMBL3100685)	Competitive inhibition of Bacillus anthracis recombinant lethal factor expressed in Escherichia coli by linear double-reciprocal plot analysis
50043694	10	ChEMBL_1281784 (CHEMBL3100687)	Inhibition of Bacillus anthracis lethal factor by fluorescence assay
50043694	11	ChEMBL_1281783 (CHEMBL3100686)	Inhibition of Bacillus anthracis lethal factor
50043694	12	ChEMBL_1281785 (CHEMBL3100688)	Competitive inhibition of Bacillus anthracis lethal factor
50043694	13	ChEMBL_1281771 (CHEMBL3100540)	Non-competitive inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by Eadie-Hofstee plot analysis
50043695	1	ChEMBL_1281788 (CHEMBL3100691)	Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor after 150 mins by scintillation counting analysis
50043695	2	ChEMBL_1281790 (CHEMBL3100693)	Displacement of [3H]ifenprodil from Wistar rat cerebral cortex glutamate NMDA receptor GluN2B subunit after 120 mins by scintillation counting analysis
50043696	1	ChEMBL_1282140 (CHEMBL3102127)	Antagonist activity at CRTh2 (unknown origin) expressed in CHO.K1 cells assessed as inhibition of PGD2-induced [35S]-GTPgammaS binding after 2 hrs by liquid scintillation counting
50043696	2	ChEMBL_1282138 (CHEMBL3102022)	Antagonist activity at CRTh2 in human RBC assessed as inhibition of PGD2-induced eosinophil shape change
50043696	3	ChEMBL_1282139 (CHEMBL3102023)	Antagonist activity at CRTh2 (unknown origin) expressed in CHO.K1 cells assessed as inhibition of PGD2-induced [35S]-GTPgammaS binding after 2 hrs by liquid scintillation counting in presence of 1% human serum albumin
50043696	4	ChEMBL_1282142 (CHEMBL3102129)	Antagonist activity at CRTh2 in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change
50043697	1	ChEMBL_1282186 (CHEMBL3102294)	Inhibition of 5-LOX (unknown origin) by ELISA
50043698	1	ChEMBL_1282321 (CHEMBL3100268)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP production after 20 mins
50043699	1	ChEMBL_1282347 (CHEMBL3100398)	Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction
50043700	1	ChEMBL_1282507 (CHEMBL3101060)	Inhibition of Toxoplasma gondii FPPS
50043700	2	ChEMBL_1282366 (CHEMBL3100417)	Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation counting analysis
50043701	1	ChEMBL_1282543 (CHEMBL3101210)	Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay
50043702	1	ChEMBL_1282556 (CHEMBL3101223)	Competitive inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L/D-proline as substrate
50043702	2	ChEMBL_1282557 (CHEMBL3101224)	Noncompetitive inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L/D-proline as substrate preincubated for 5 mins by Cornish-Bowden plot analysis
50043702	3	ChEMBL_1282558 (CHEMBL3101225)	Inhibition of N-terminal 6xHis-tagged Clostridium sticklandii ATCC 12662 proline racemase expressed in Escherichia coli BL21(DE3) using L/D-proline as substrate preincubated for 5 mins by circular dichroism-based analysis
50043702	4	ChEMBL_1282560 (CHEMBL3101227)	Mixed type inhibition of N-terminal 6xHis-tagged recombinant Schizosaccharomyces pombe 972 serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate assessed as enzyme-substrate-inhibitor complex preincubated for 2 mins followed by substrate addition by double reciprocal plot analysis
50043702	5	ChEMBL_1282683 (CHEMBL3101730)	Mixed type inhibition of N-terminal 6xHis-tagged recombinant Schizosaccharomyces pombe 972 serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate assessed as enzyme-inhibitor complex preincubated for 2 mins followed by substrate addition by double reciprocal plot analysis
50043702	6	ChEMBL_1282684 (CHEMBL3101731)	Competitive inhibition of Pseudomonas putida mandelate racemase
50043703	1	ChEMBL_1282725 (CHEMBL3101912)	Inhibition of Mycobacterium tuberculosis PPase using inorganic pyrophosphate as substrate preincubated for 2 mins followed by substrate addition measured after 6 mins by malachite green assay
50043704	1	ChEMBL_1282844 (CHEMBL3102345)	Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins
50043705	1	ChEMBL_1282956 (CHEMBL3102685)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis
50043705	2	ChEMBL_1282957 (CHEMBL3102686)	Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis
50043705	3	ChEMBL_1282958 (CHEMBL3100277)	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis
50043706	1	ChEMBL_1282959 (CHEMBL3100278)	Inhibition of AKT1 (unknown origin) by high-throughput screen assay
50043706	2	ChEMBL_1282961 (CHEMBL3100280)	Inhibition of recombinant AKT1 (unknown origin) using serine/threonine 06 peptide as substrate after 1 hr by FRET based Z'-LYTE assay
50043707	1	ChEMBL_1282983 (CHEMBL3100302)	Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr by fluorometric analysis
50043707	2	ChEMBL_1282984 (CHEMBL3100303)	Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1 hr by fluorometric analysis
50043707	3	ChEMBL_1282985 (CHEMBL3100304)	Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate measured for 1 hr by fluorometric analysis
50043707	4	ChEMBL_1282981 (CHEMBL3100300)	Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate Lineweaver-Burk plot analysis
50043707	5	ChEMBL_1282980 (CHEMBL3100299)	Competitive inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate Lineweaver-Burk plot analysis
50043708	1	ChEMBL_1281313 (CHEMBL3101286)	Inhibition of Pin-1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 300 seconds followed by substrate addition by UV/Vis spectrophotometric analysis
50043708	2	ChEMBL_1281312 (CHEMBL3101285)	Inhibition of human telomerase after 30 mins by TRAP assay
50043708	3	ChEMBL_1281322 (CHEMBL3101295)	Inhibition of aromatase (unknown origin)
50043709	2	ChEMBL_1281338 (CHEMBL3101311)	Binding affinity to human CDK2 by isothermal titration calorimetric analysis
50002457	1	ChEMBL_1764537 (CHEMBL4199784)	Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs
50002458	1	ChEMBL_1764585 (CHEMBL4199832)	Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by Alexa633 Tracer-based fluorescence polarization assay
50002458	2	ChEMBL_1764591 (CHEMBL4199838)	Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 1 hr by Alexa633 Tracer-based fluorescence polarization assay
50002458	3	ChEMBL_1764602 (CHEMBL4199849)	Inhibition of p110alpha H1047R mutant (unknown origin)
50043710	5	ChEMBL_1281494 (CHEMBL3101952)	Agonist activity at GPR35 in human U2OS cells after 1 hr by beta-arrestin GFP reporter gene assay
50043711	1	ChEMBL_1281512 (CHEMBL3101970)	Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP
50043712	1	ChEMBL_1281519 (CHEMBL3102085)	Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes
50043713	1	ChEMBL_1281524 (CHEMBL3102090)	Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis
50043713	2	ChEMBL_1281523 (CHEMBL3102089)	Displacement of [125I]MIP-1alpha from rat CCR1
50043714	1	ChEMBL_1281860 (CHEMBL3101013)	Inhibition of CYP2C9 (unknown origin)
50043714	2	ChEMBL_1281874 (CHEMBL3101027)	Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins prior to ADP-challenge by light transmission-based assay
50043714	3	ChEMBL_1281875 (CHEMBL3101028)	Antagonist activity at P2Y12 receptor in human platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins prior to ADP-challenge by light transmission-based assay
50043715	1	ChEMBL_1281878 (CHEMBL3101031)	Inhibition of Escherichia coli FabH overexpressed in Escherichia coli DH10B cells assessed as incorporation of [3H] in the product after 25 mins by liquid scintillation counting analysis
50043716	1	ChEMBL_1282378 (CHEMBL3100557)	Competitive inhibition of PCAF (unknown origin) using histone H3 derived peptide as substrate after 20 mins by fluorescence assay
50043716	2	ChEMBL_1282380 (CHEMBL3100559)	Inhibition of PCAF (unknown origin) using histone H3 derived peptide as substrate after 20 mins by fluorescence assay
50043717	1	ChEMBL_1282402 (CHEMBL3100581)	Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintillation proximity assay
50043717	2	ChEMBL_1282385 (CHEMBL3100564)	Displacement of [3H]-neurotensin from human sortilin incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintillation proximity assay
50043718	1	ChEMBL_1282431 (CHEMBL3100732)	Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay
50043719	1	ChEMBL_1282600 (CHEMBL3101399)	Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay
50043720	1	ChEMBL_1284105 (CHEMBL3107383)	Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated for 10 mins before substrate addition measured after 10 mins by fluorometer analysis
50043721	1	ChEMBL_1284427 (CHEMBL3106155)	Agonist activity at human VPAC2 expressed in CHO Flp-in cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay
50043722	2	ChEMBL_1284444 (CHEMBL3106172)	Inhibition of PIM3 (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by AlphaScreen assay
50002458	4	ChEMBL_1764589 (CHEMBL4199836)	Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/recombinant human full length p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 1 hr by Alexa633 Tracer-based fluorescence polarization assay
50002458	5	ChEMBL_1764590 (CHEMBL4199837)	Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by Alexa633 Tracer-based fluorescence polarization assay
50002458	6	ChEMBL_1764592 (CHEMBL4199839)	Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4EBP1 as substrate measured after 1 hr by Lathascreen method
50002458	7	ChEMBL_1764609 (CHEMBL4199856)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate pretreated for 5 mins followed by NADPH addition and measured after 5 mins by LC-MS analysis
50043723	1	ChEMBL_1284455 (CHEMBL3106343)	Inhibition of biotin binding to Mycobacterium tuberculosis BirA by isothermal titration calorimetry
50043724	1	ChEMBL_1284458 (CHEMBL3106346)	Agonist activity at human OX2 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay
50043724	2	ChEMBL_1284460 (CHEMBL3106348)	Agonist activity at human OX1 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assay
50043725	1	ChEMBL_1284611 (CHEMBL3106939)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig
50043725	2	ChEMBL_1284608 (CHEMBL3106936)	Displacement of [125I]N-IAC44 from sigma 1 receptor (unknown origin)
50043725	3	ChEMBL_1284609 (CHEMBL3106937)	Displacement of [125I]N-IACoc from sigma 1 receptor (unknown origin)
50043726	1	ChEMBL_1284787 (CHEMBL3107684)	Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis
50043726	2	ChEMBL_1284785 (CHEMBL3107682)	Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay
50043726	3	ChEMBL_1284777 (CHEMBL3107674)	Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 10 uM ADP-induced platelet aggregation preincubated for 1 min followed by ADP induction measured at 5 mins by aggregometric analysis
50043726	4	ChEMBL_1284786 (CHEMBL3107683)	Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 2.5 uM ADP-induced platelet aggregation preincubated for 1 min followed by ADP induction measured at 5 mins by aggregometric analysis
50043726	5	ChEMBL_1284760 (CHEMBL3107657)	Antagonist activity at P2X1 receptor in HEK293 cells assessed as alpha, beta-methylene ATP-induced calcium flux by FLIPR assay
50043726	6	ChEMBL_1284762 (CHEMBL3107659)	Displacement of [33P]-2MeS-ADP from P2Y12 receptor (unknown origin) transfected in HEK293 cells after 1 hr by scintillation counting analysis
50043726	7	ChEMBL_1284761 (CHEMBL3107658)	Antagonist activity at P2Y2 receptor in human HeLa cells assessed as intracellular calcium mobilization after 10 mins by Fluo-4 AM staining-based FLIPR assay
50043727	1	ChEMBL_1284943 (CHEMBL3108384)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50043727	2	ChEMBL_1284942 (CHEMBL3108383)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50043727	3	ChEMBL_1284809 (CHEMBL3107832)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition measured after 8 mins by LC/MS/MS analysis
50043727	4	ChEMBL_1284798 (CHEMBL3107821)	Negative allosteric modulation of rat muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay
50043727	5	ChEMBL_1284790 (CHEMBL3107813)	Negative allosteric modulation of rat muscarinic acetylcholine receptor M5 expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization incubated for 150 secs prior to acetylcholine induction by Fluo-4 AM staining-based fluorescence assay
50043728	1	ChEMBL_1284987 (CHEMBL3105977)	Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein coupled KISGRLSPIMTEQ as substrate after 30 mins by HPLC analysis in presence of 50 uM ATP
50043728	2	ChEMBL_1284985 (CHEMBL3108566)	Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using ATP as substrate by Michaelis-Menten plot analysis
50043728	3	ChEMBL_1284986 (CHEMBL3105976)	Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) expressed in Escherichia coli BL21 (DE3) using N-terminal fluorescein coupled KISGRLSPIMTEQ as substrate after 30 mins by HPLC analysis in presence of 1 mM ATP
50043728	4	ChEMBL_1284988 (CHEMBL3105978)	Inhibition of DYRK1A (unknown origin) by HPLC analysis
50043728	5	ChEMBL_1284989 (CHEMBL3105979)	Inhibition of DYRK1A (unknown origin)
50043728	6	ChEMBL_1284990 (CHEMBL3105980)	Inhibition of human GST-fused DYRK1A expressed in Escherichia coli using KISGRLSPIMTEQ as substrate
50043728	7	ChEMBL_1284991 (CHEMBL3105981)	Competitive inhibition of DYRK1A (unknown origin) using ATP
50043729	1	ChEMBL_1285138 (CHEMBL3106784)	Inhibition of recombinant perforin (unknown origin)-mediated lysis of human [51Cr]-labelled Jurkat cells assessed as release of [51Cr] preincubated for 30 mins followed by addition of cells measured after 4 hrs by gamma counting analysis
50043730	1	ChEMBL_1285319 (CHEMBL3107569)	Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage clamp electrophysiology method
50043730	2	ChEMBL_1285295 (CHEMBL3107446)	Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	3	ChEMBL_1285321 (CHEMBL3107571)	Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	4	ChEMBL_1285327 (CHEMBL3107577)	Antagonist activity at human alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	5	ChEMBL_1285336 (CHEMBL3107586)	Antagonist activity at human alpha3beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	6	ChEMBL_1285323 (CHEMBL3107573)	Antagonist activity at Sprague-Dawley rat alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	7	ChEMBL_1285324 (CHEMBL3107574)	Antagonist activity at Sprague-Dawley rat alpha6/alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	8	ChEMBL_1285325 (CHEMBL3107575)	Antagonist activity at Sprague-Dawley rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	9	ChEMBL_1285326 (CHEMBL3107576)	Antagonist activity at Sprague-Dawley rat alpha9alpha10 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	10	ChEMBL_1285337 (CHEMBL3107687)	Antagonist activity at human alpha6alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	11	ChEMBL_1285330 (CHEMBL3107580)	Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	12	ChEMBL_1285329 (CHEMBL3107579)	Inhibition of recombinant rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	13	ChEMBL_1285332 (CHEMBL3107582)	Inhibition of recombinant rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	14	ChEMBL_1285333 (CHEMBL3107583)	Inhibition of alpha7 nAChR (unknown origin) expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043730	15	ChEMBL_1285334 (CHEMBL3107584)	Inhibition of alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043730	16	ChEMBL_1285335 (CHEMBL3107585)	Inhibition of alpha3beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50043730	17	ChEMBL_1285296 (CHEMBL3107447)	Inhibition of alpha7 (unknown origin) nAChR
50043730	18	ChEMBL_1285298 (CHEMBL3107449)	Inhibition of alpha9alpha10 (unknown origin) nAChR
50043730	19	ChEMBL_1285300 (CHEMBL3107451)	Inhibition of human alpha3beta4 nAChR
50043730	20	ChEMBL_1285299 (CHEMBL3107450)	Inhibition of human alpha9alpha10 nAChR
50043730	21	ChEMBL_1285302 (CHEMBL3107453)	Inhibition of human alpha7 nAChR
50043730	22	ChEMBL_1285301 (CHEMBL3107452)	Inhibition of human alpha3beta2 nAChR
50043730	23	ChEMBL_1285306 (CHEMBL3107457)	Inhibition of rat alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	24	ChEMBL_1285308 (CHEMBL3107459)	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	25	ChEMBL_1285320 (CHEMBL3107570)	Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophysiology method
50043730	26	ChEMBL_1285309 (CHEMBL3107559)	Inhibition of mouse alpha1beta1deltaepsilon nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage clamp electrophysiology method
50043730	27	ChEMBL_1285311 (CHEMBL3107561)	Inhibition of rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage clamp electrophysiology method
50043730	28	ChEMBL_1285318 (CHEMBL3107568)	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage clamp electrophysiology method
50043730	29	ChEMBL_1285314 (CHEMBL3107564)	Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current after 2 to 4 days by voltage clamp electrophysiology method
50043731	1	ChEMBL_1285475 (CHEMBL3108407)	Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis
50043731	2	ChEMBL_1285479 (CHEMBL3108411)	Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr
50043731	3	ChEMBL_1285468 (CHEMBL3108400)	Inhibition of CYP2D6 (unknown origin)
50043731	4	ChEMBL_1285469 (CHEMBL3108401)	Inhibition of CYP1A2 (unknown origin)
50043731	5	ChEMBL_1285452 (CHEMBL3108241)	Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 100 nM by Michaelis-Menten plot analysis
50043731	6	ChEMBL_1285476 (CHEMBL3108408)	Inhibition of GST-tagged recombinant LSD1 (2 to 852) (unknown origin) using H3K4me2 as substrate by fluorescence assay
50043731	7	ChEMBL_1285456 (CHEMBL3108245)	Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 3 nM by Michaelis-Menten plot analysis
50043731	8	ChEMBL_1285453 (CHEMBL3108242)	Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 30 nM by Michaelis-Menten plot analysis
50043731	9	ChEMBL_1285454 (CHEMBL3108243)	Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10 nM by Michaelis-Menten plot analysis
50043731	10	ChEMBL_1285478 (CHEMBL3108410)	Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate by chemiluminescence assay
50043731	11	ChEMBL_1285455 (CHEMBL3108244)	Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 1 nM by Michaelis-Menten plot analysis
50043731	12	ChEMBL_1285470 (CHEMBL3108402)	Inhibition of CYP2C19 (unknown origin)
50043731	13	ChEMBL_1285467 (CHEMBL3108399)	Inhibition of CYP2C9 (unknown origin)
50043731	14	ChEMBL_1285477 (CHEMBL3108409)	Inhibition of GST-tagged human recombinant LSD1 using dimethylated H3K4 peptide as substrate by mass spectrometric analysis
50043732	1	ChEMBL_1285482 (CHEMBL3108414)	Agonist activity at urotensin-2 receptor in Sprague-Dawley rat aortic rings assessed as KCl-induced vasoconstriction
50043732	2	ChEMBL_1285483 (CHEMBL3108415)	Displacement of [125I]-Urotensin-2 from human GPR14 expressed in CHO cells after 90 mins by gamma counting analysis
50043733	1	ChEMBL_1285676 (CHEMBL3106635)	Agonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
50043734	1	ChEMBL_1283981 (CHEMBL3106891)	Displacement of [3H]spiperone from human D2 receptor
50043735	1	ChEMBL_1283984 (CHEMBL3106894)	Inhibition of TACE (unknown origin)
50043735	2	ChEMBL_1283986 (CHEMBL3106896)	Inhibition of human recombinant MMP-14 using fluorescence peptide matrix as substrate after 45 mins by fluorescence plate reader analysis
50043735	3	ChEMBL_1283989 (CHEMBL3106899)	Inhibition of human recombinant ADAMTS-4 using interglobular domain peptide of aggrecan after 60 mins by FRET assay
50043735	4	ChEMBL_1283991 (CHEMBL3107055)	Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay
50043736	1	ChEMBL_1284124 (CHEMBL3107508)	Inhibition of CCR5 (unknown origin) expressed in CHO cells assessed as inhibition of RANTES-induced intracellular Ca2+ mobilization after 10 mins by Fluo-4 AM staining-based fluorescence assay
50043736	2	ChEMBL_1284125 (CHEMBL3107509)	Antagonist activity at CCR5 (unknown origin) expressed in CHO cell membranes assessed as inhibition of RANTES-stimulated [35S]-GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50043737	1	ChEMBL_1284129 (CHEMBL3107513)	Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay
50043737	2	ChEMBL_1284130 (CHEMBL3107514)	Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione preincubated for 30 mins measured for 30 mins by spectrophotometric analysis
50043738	1	ChEMBL_1284145 (CHEMBL3107613)	Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry
50043739	1	ChEMBL_1284309 (CHEMBL3108330)	Inhibition of ALK (unknown origin)
50043739	2	ChEMBL_1284308 (CHEMBL3108329)	Inhibition of AKT1 (unknown origin)
50043739	3	ChEMBL_1284302 (CHEMBL3108323)	Inhibition of IGF1R (unknown origin)
50043739	4	ChEMBL_1284304 (CHEMBL3108325)	Inhibition of FAK (unknown origin)
50043739	5	ChEMBL_1284306 (CHEMBL3108327)	Inhibition of AXL (unknown origin)
50043739	6	ChEMBL_1284305 (CHEMBL3108326)	Inhibition of aurora-B (unknown origin)
50043739	7	ChEMBL_1284307 (CHEMBL3108328)	Inhibition of ARK5 (unknown origin)
50043739	8	ChEMBL_1284314 (CHEMBL3108335)	Inhibition of recombinant HDAC3 (unknown origin) using Fluor-de-Lys-SIRT1 as substrate by fluorescence assay
50043739	9	ChEMBL_1284296 (CHEMBL3108317)	Inhibition of PRK1 (unknown origin)
50043739	10	ChEMBL_1284298 (CHEMBL3108319)	Inhibition of PLK1 (unknown origin)
50043739	11	ChEMBL_1284297 (CHEMBL3108318)	Inhibition of PIM1 (unknown origin)
50043739	12	ChEMBL_1284299 (CHEMBL3108320)	Inhibition of NEK6 (unknown origin)
50043739	13	ChEMBL_1284301 (CHEMBL3108322)	Inhibition of NEK2 (unknown origin)
50043739	14	ChEMBL_1284300 (CHEMBL3108321)	Inhibition of wild type MET (unknown origin)
50043740	1	ChEMBL_1284493 (CHEMBL3106541)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cells
50043740	2	ChEMBL_1284492 (CHEMBL3106540)	Binding affinity to sigma-1 receptor in human MCF7 cells
50043740	3	ChEMBL_1284494 (CHEMBL3106542)	Binding affinity to sigma-1 receptor in guinea pig brain homogenates
50043740	4	ChEMBL_1284495 (CHEMBL3106543)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates
50043741	1	ChEMBL_1284501 (CHEMBL3106549)	Binding affinity to human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay
50043741	2	ChEMBL_1284500 (CHEMBL3106548)	Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assay
50043742	1	ChEMBL_1284642 (CHEMBL3107223)	Agonist activity at cynomolgus monkey GPR119 assessed as cAMP accumulation
50043742	2	ChEMBL_1284646 (CHEMBL3107227)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins
50043742	3	ChEMBL_1284509 (CHEMBL3106557)	Agonist activity at rat GPR119 assessed as cAMP accumulation
50043742	4	ChEMBL_1284510 (CHEMBL3106558)	Agonist activity at mouse GPR119 assessed as cAMP accumulation
50043743	1	ChEMBL_1285181 (CHEMBL3106971)	Inhibition of aromatase in human MCF7 cells
50043743	2	ChEMBL_1285175 (CHEMBL3106965)	Inhibition of aromatase (unknown origin)
50043743	3	ChEMBL_1285177 (CHEMBL3106967)	Inhibition of human recombinant aromatase expressed in baculovirus-infected cell system using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by fluorescence assay
50043744	1	ChEMBL_1285219 (CHEMBL3107150)	Inhibition of human HPGD using PGE2 as substrate after 15 mins by fluorescence assay
50043744	2	ChEMBL_1285211 (CHEMBL3107142)	Inhibition of ALDH1A1 (unknown origin) using NAD+/propionaldehyde as substrate after 15 mins by UV-fluorescence assay
50043744	3	ChEMBL_1285204 (CHEMBL3107135)	Inhibition of PGDH (unknown origin)
50043745	1	ChEMBL_1285688 (CHEMBL3106798)	Inhibition of Mycobacterium tuberculosis Dxr
50043746	1	ChEMBL_1285730 (CHEMBL3107719)	Inhibition of human 11beta-HSD1
50043746	2	ChEMBL_1285731 (CHEMBL3107720)	Inhibition of mouse 11beta-HSD1
50043746	3	ChEMBL_1285712 (CHEMBL3106822)	Inhibition of 11beta-HSD1 in human HEK cells
50043746	4	ChEMBL_1285720 (CHEMBL3106830)	Transactivation of PXR (unknown origin)
50043746	5	ChEMBL_1285721 (CHEMBL3106831)	Inhibition of CYP2D6 (unknown origin)
50043746	6	ChEMBL_1285724 (CHEMBL3106834)	Inhibition of CYP2C19 (unknown origin)
50043746	7	ChEMBL_1285723 (CHEMBL3106833)	Inhibition of CYP2C9 (unknown origin)
50043746	8	ChEMBL_1285726 (CHEMBL3107715)	Inhibition of CYP1A2 (unknown origin)
50043747	1	ChEMBL_1285734 (CHEMBL3107723)	Inhibition of Clostridium botulinum Hall A hyper BoNT/A light chain expressed in human induced pluripotent stem cell-derived neurons after 8 hrs by Western blot analysis
50043747	2	ChEMBL_1285740 (CHEMBL3107729)	Inhibition of Clostridium botulinum BoNT/A light chain (1 to 425 amino acids) by LC-MS analysis
50043747	3	ChEMBL_1285739 (CHEMBL3107728)	Inhibition of Clostridium botulinum BoNT/A light chain (1 to 425 amino acids) by FRET method
50043748	1	ChEMBL_1283691 (CHEMBL3108123)	Positive allosteric modulation of human alpha4beta2alpha5 nACHR expressed in HEK-tsA201 cells assessed as potentiation of nicotine-induced current preincubated for 15 mins followed by nicotine-treatment by fluorometric analysis
50043748	2	ChEMBL_1283693 (CHEMBL3108125)	Positive allosteric modulation of alpha4beta2 nACHR (unknown origin)
50043749	1	ChEMBL_1283828 (CHEMBL3106115)	Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)
50043749	2	ChEMBL_1283829 (CHEMBL3106116)	Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)
50043749	3	ChEMBL_1283830 (CHEMBL3106117)	Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)
50043749	4	ChEMBL_1283842 (CHEMBL3106129)	Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)
50043749	5	ChEMBL_1283847 (CHEMBL3106134)	Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)
50043750	1	ChEMBL_1283877 (CHEMBL3106328)	Binding affinity to NPYY5 receptor (unknown origin)
50043750	2	ChEMBL_1283879 (CHEMBL3106330)	Binding affinity to NPYY1 receptor (unknown origin)
50043750	3	ChEMBL_1283878 (CHEMBL3106329)	Binding affinity to NPYY2 receptor (unknown origin)
50043750	4	ChEMBL_1283880 (CHEMBL3106331)	Agonist activity at NPYY2 receptor (unknown origin)
50043750	5	ChEMBL_1283881 (CHEMBL3106332)	Antagonist activity at NPYY2 receptor (unknown origin) by cAMP biosensor assay
50043750	6	ChEMBL_1284014 (CHEMBL3107078)	Binding affinity to NPYY2 receptor (unknown origin) preincubated for 20 mins
50043750	7	ChEMBL_1284017 (CHEMBL3107081)	Displacement of [125I]-NPY from NPYY2 receptor (unknown origin)
50043750	8	ChEMBL_1284012 (CHEMBL3107076)	Displacement of [125I]-PYY from human NPYY2 receptor
50043750	9	ChEMBL_1284011 (CHEMBL3107075)	Displacement of [125I]-PYY from NPYY2 receptor (unknown origin)
50043750	10	ChEMBL_1284010 (CHEMBL3107074)	Antagonist activity at NPYY2 receptor (unknown origin) assessed as inhibition of PYY-induced [33S]-GTPgammaS binding
50043751	1	ChEMBL_1284019 (CHEMBL3107083)	Displacement of [3H]-kainate from GluK2 receptor (unknown origin)
50043752	1	ChEMBL_1284051 (CHEMBL3107208)	Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50043752	2	ChEMBL_1284052 (CHEMBL3107209)	Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50043752	3	ChEMBL_1284181 (CHEMBL3107776)	Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 8 mins by enzyme immunoassay
50043753	1	ChEMBL_1284373 (CHEMBL3105939)	Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by Ellman's method
50043753	2	ChEMBL_1284374 (CHEMBL3105940)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by Ellman's method
50043754	1	ChEMBL_1284539 (CHEMBL3106734)	Inhibition of SCD1 in mouse liver microsomes
50043754	2	ChEMBL_1284540 (CHEMBL3106735)	Inhibition of SCD1 in human HepG2 cells using radiolabeled stearic acid as substrate
50043755	1	ChEMBL_1284567 (CHEMBL3106762)	Inhibition of rat recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate as substrate preincubated for 30 mins followed by substrate addition measured after 20 to 45 mins by fluorescence assay
50043755	2	ChEMBL_1284568 (CHEMBL3106763)	Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate as substrate preincubated for 30 mins followed by substrate addition measured after 20 to 45 mins by fluorescence assay
50043756	1	ChEMBL_1284885 (CHEMBL3108186)	Inhibition of SCD1 in human HepG2 cells using [1-14C]stearic acid as substrate
50043756	2	ChEMBL_1284884 (CHEMBL3108185)	Inhibition of SCD1 in mouse liver microsomes
50043757	1	ChEMBL_1284926 (CHEMBL3108367)	Displacement of [125I]-Bolton Hunter-Substance P from human NK1 receptor
50043757	2	ChEMBL_1284927 (CHEMBL3108368)	Displacement of [3H]-SR142801 from human NK3 receptor
50043757	3	ChEMBL_1284930 (CHEMBL3108371)	Binding affinity to NK3 receptor (unknown origin)
50043757	4	ChEMBL_1284929 (CHEMBL3108370)	Binding affinity to NK1 receptor (unknown origin)
50043757	5	ChEMBL_1284928 (CHEMBL3108369)	Displacement of [125I][MePhe7]neurokinin B from human NK3 receptor expressed in CHO cells
50043758	1	ChEMBL_1285280 (CHEMBL3107431)	Inhibition of human recombinant C-terminal His-tagged SIRT2 (13 to 319) after 45 mins by fluorescence assay
50043758	2	ChEMBL_1285282 (CHEMBL3107433)	Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741) after 45 mins by fluorescence assay
50043759	1	ChEMBL_1285617 (CHEMBL3106412)	Binding affinity to pig AT2 receptor
50043760	1	ChEMBL_1285750 (CHEMBL3107874)	Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by Draq5 staining-based fluorescence assay
50043760	2	ChEMBL_1285751 (CHEMBL3107875)	Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay
50043761	1	ChEMBL_1285789 (CHEMBL3108061)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid formation preincubated for 5 mins
50043762	1	ChEMBL_1285940 (CHEMBL3106083)	Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins
50043762	2	ChEMBL_1285942 (CHEMBL3106085)	Inhibition of RORgammat receptor ligand binding domain in mouse spleen CD4+ T cells assessed as inhibition of IL-17 production after 3 days by ELISA
50043762	3	ChEMBL_1285944 (CHEMBL3106087)	Inhibition of APC-labeled RORgammat receptor ligand binding domain (unknown origin) after 1 hr by FRET assay
50043763	1	ChEMBL_1286126 (CHEMBL3106983)	Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30 mins before substrate addition measured after 60 mins by kinase-glo assay
50043763	2	ChEMBL_1286129 (CHEMBL3106986)	Competitive inhibition of PFKFB3 (unknown origin) using fructose 6-phosphate as substrate
50043763	3	ChEMBL_1286130 (CHEMBL3106987)	Inhibition of PFKFB3 (unknown origin)
50043764	1	ChEMBL_1286137 (CHEMBL3106994)	Inhibition of JAK3 (unknown origin)
50043764	2	ChEMBL_1286138 (CHEMBL3106995)	Inhibition of JAK2 (unknown origin)
50043764	3	ChEMBL_1286139 (CHEMBL3106996)	Inhibition of JAK1 (unknown origin)
50043765	1	ChEMBL_1286152 (CHEMBL3107009)	Inhibition of PARP-1 in human HeLa cells assessed as decrease of H2O2-induced PARylation after 3 hrs by fluorescence assay
50043765	2	ChEMBL_1283536 (CHEMBL3107467)	Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay
50043766	1	ChEMBL_1283539 (CHEMBL3107470)	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured after 30 mins
50043767	1	ChEMBL_1283718 (CHEMBL3108298)	Displacement of [3H]Ifenprodil from NMDA receptor GluN2B subunit in Wistar rat cerebral cortex
50043768	1	ChEMBL_1283742 (CHEMBL3108467)	Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs
50043768	2	ChEMBL_1283743 (CHEMBL3108468)	Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay
50043768	3	ChEMBL_1283746 (CHEMBL3108471)	Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay
50043768	4	ChEMBL_1283745 (CHEMBL3108470)	Inhibition of recombinant AKR1C2 (unknown origin) after 1 hr by competitive fluorescence assay
50043768	5	ChEMBL_1283744 (CHEMBL3108469)	Inhibition of recombinant AKR1C1 (unknown origin) after 1 hr by competitive fluorescence assay
50043769	1	ChEMBL_1283892 (CHEMBL3106505)	Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	2	ChEMBL_1283750 (CHEMBL3108475)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	3	ChEMBL_1283752 (CHEMBL3108477)	Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	4	ChEMBL_1283754 (CHEMBL3108479)	Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	5	ChEMBL_1283755 (CHEMBL3108480)	Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	6	ChEMBL_1283756 (CHEMBL3108481)	Antagonist activity at rat P2X4 receptor assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043769	7	ChEMBL_1283887 (CHEMBL3106338)	Antagonist activity at mouse P2X4 receptor assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50043770	1	ChEMBL_1288119 (CHEMBL3110579)	Inhibition of Trypanosoma cruzi PFK
50043770	2	ChEMBL_1288121 (CHEMBL3110581)	Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay
50043770	3	ChEMBL_1288116 (CHEMBL3110576)	Mixed type inhibition Trypanosoma brucei PFK using ATP as substrate by Line-weaver Burk plot analysis
50043770	4	ChEMBL_1288117 (CHEMBL3110577)	Competitive inhibition Trypanosoma brucei PFK using fructose-6-phosphate as substrate by Line-weaver Burk plot analysis
50043771	1	ChEMBL_1288130 (CHEMBL3110590)	Inhibition of human full-length recombinant ARTD1 assessed as incorporation of [32P]NAD+ by scintillation counting analysis
50043771	2	ChEMBL_1288124 (CHEMBL3110584)	Inhibition of bovine ARTD1 assessed as incorporation of [adenine-2,8-3H]NAD after 1 hr by liquid scintillation spectrometric analysis
50043771	3	ChEMBL_1288125 (CHEMBL3110585)	Inhibition of calf thymus ARTD1 assessed as incorporation of [Ade-U-14C]-NAD+ after 10 mins by liquid scintillation counting analysis
50043771	4	ChEMBL_1288126 (CHEMBL3110586)	Inhibition of ARTD1 (unknown origin)
50043772	1	ChEMBL_1288131 (CHEMBL3110591)	Displacement of 19-mer HIF-1alpha peptide from VHL (unknown origin) by isothermal titration calorimetry analysis
50043773	1	ChEMBL_1288153 (CHEMBL3110656)	Inhibition of recombinant human LSD1/CoREST complex expressed in Escherichia coli using methylated H3-K4 peptide as substrate by peroxidase-coupled assay
50043773	2	ChEMBL_1288154 (CHEMBL3110657)	Inhibition of recombinant human LSD1 expressed in Escherichia coli using methylated H3-K4 peptide as substrate by peroxidase-coupled assay
50043773	3	ChEMBL_1288155 (CHEMBL3110658)	Inhibition of recombinant LSD1 (178 to 831) (unknown origin) expressed in baculovirus infected insect Sf9 cells using diMeK4H3-21 as substrate by peroxidase-coupled assay
50043773	4	ChEMBL_1288156 (CHEMBL3110659)	Inhibition of human recombinant LSD1 using di-methylated H3-K4 peptide as substrate assessed as release of H2O2 preincubated for 15 mins followed by substrate addition measured after 1 hr by peroxide/peroxidase-coupled assay
50043773	5	ChEMBL_1288147 (CHEMBL3110607)	Competitive inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using H3K4 peptide as substrate by Dixon plot analysis
50043773	6	ChEMBL_1288151 (CHEMBL3110654)	Inhibition of recombinant LSD1 (unknown origin) using di-methylated H3-K4 peptide as substrate incubated for 5 mins prior to substrate addition by fluorescence assay
50043773	7	ChEMBL_1288146 (CHEMBL3110606)	Competitive inhibition of recombinant LSD1 (unknown origin) using H3K4Me2 peptide as substrate preincubated for 30 mins followed by substrate addition by Lineweaver-Burk plot analysis
50043774	1	ChEMBL_1287960 (CHEMBL3110531)	Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluorescent polarization assay
50043774	2	ChEMBL_1287961 (CHEMBL3110532)	Binding affinity to His-tagged STAT5 (unknown origin) by SPR spectroscopic analysis
50043774	3	ChEMBL_1287962 (CHEMBL3110533)	Binding affinity to His-tagged STAT3 (unknown origin) by SPR spectroscopic analysis
50043775	1	ChEMBL_1287980 (CHEMBL3110679)	Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate
50043776	1	ChEMBL_1288076 (CHEMBL3110615)	Inhibition of human SGLT2-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 120 mins by liquid scintillation counting analysis
50043776	2	ChEMBL_1288074 (CHEMBL3110613)	Inhibition of human SGLT1-mediated [14C]-AMG uptake expressed in CHOK cells preincubated for 10 mins followed by [14C]-AMG addition measured after 120 mins by liquid scintillation counting analysis
50043777	1	ChEMBL_1288104 (CHEMBL3110643)	Binding affinity to GST-tagged MDM2 (unknown origin) assessed as inhibition of interaction with biotinylated p53 after 1 hr by HTRF assay
50043778	1	ChEMBL_1288000 (CHEMBL3110699)	Inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins prior to substrate addition by FRET assay
50043778	2	ChEMBL_1287998 (CHEMBL3110697)	Competitive inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins prior to substrate addition by Lineweaver-Burk plot analysis
50043778	3	ChEMBL_1287997 (CHEMBL3110696)	Inhibition of human recombinant KLK7 expressed in baculovirus-infected insect cell system using Abz-KLYSSKQ-Eddnp as substrate incubated for 5 mins prior to substrate addition by FRET assay
50043778	4	ChEMBL_1287999 (CHEMBL3110698)	Competitive inhibition of human recombinant KLK5 expressed in baculovirus-infected insect cell system using Abz-KLRSSKQ-Eddnp as substrate incubated for 5 mins prior to substrate addition by Lineweaver-Burk plot analysis
50043779	1	ChEMBL_1288001 (CHEMBL3110700)	Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 MGC26-induced cell-cell fusion between viral envelope protein expressing human HEK293 cells to TZM-bl cells after 48 hrs by luciferase reporter gene assay
50043779	2	ChEMBL_1288004 (CHEMBL3110703)	Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 YU2-induced cell-cell fusion between viral envelope protein expressing human HEK293 cells to TZM-bl cells after 48 hrs by luciferase reporter gene assay
50043779	3	ChEMBL_1288002 (CHEMBL3110701)	Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 92RW-induced cell-cell fusion between viral envelope protein expressing human HEK293 cells to TZM-bl cells after 48 hrs by luciferase reporter gene assay
50043779	4	ChEMBL_1288003 (CHEMBL3110702)	Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope protein expressing human HEK293 cells to TZM-bl cells after 48 hrs by luciferase reporter gene assay
50043780	1	ChEMBL_1288010 (CHEMBL3110709)	Inhibition of N-terminal His-6-tagged full length human PI3Kalpha expressed in baculovirus-infected sf9 cells after 30 mins by TR-FRET assay
50043781	1	ChEMBL_1288015 (CHEMBL3110714)	Inhibition of mouse recombinant iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex measured up to 180 seconds by hemoglobin capture assay
50043781	2	ChEMBL_1288016 (CHEMBL3110715)	Inhibition of bovine recombinant eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex measured up to 180 seconds by hemoglobin capture assay
50043781	3	ChEMBL_1288017 (CHEMBL3110716)	Inhibition of rat recombinant nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex measured up to 180 seconds by hemoglobin capture assay
50043782	1	ChEMBL_1288031 (CHEMBL3110730)	Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-5-ium-2-sulfonate from human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) expressed in baculovirus infected insect Sf9 cells preincubated for 10 mins followed by fluorescent ligand addition measured after 15 mins by fluorescence polarization assay
50043782	2	ChEMBL_1288030 (CHEMBL3110729)	Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells after 4 hrs by ADP-Glo luminescence assay
50043782	3	ChEMBL_1288029 (CHEMBL3110728)	Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followed by TNF-alpha induction measured after overnight incubation by Cell Titer-Glo luminescence assay
50043783	1	ChEMBL_1288040 (CHEMBL3110543)	Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr by FRET assay in presence of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide
50043783	2	ChEMBL_1288032 (CHEMBL3110731)	Inverse agonist activity at RORgammat in mouse Th17 cells assessed as effect on cell differentiation measured as IL-17 level after 3 days by ELISA
50043783	3	ChEMBL_1288038 (CHEMBL3110541)	Inverse agonist activity at biotinylated human RORgammat expressed in Escherichia coli BL21 assessed as effect on recruitment of SRC1/2 after 1 hr by dual-FRET assay
50043784	1	ChEMBL_1286755 (CHEMBL3111860)	Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluorescence assay in presence of 50% human plasma
50043784	2	ChEMBL_1286758 (CHEMBL3111863)	Inhibition of cFMS (unknown origin)
50043784	3	ChEMBL_1286760 (CHEMBL3111865)	Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluorescence assay
50043784	4	ChEMBL_1286759 (CHEMBL3111864)	Inhibition of FLT3 (unknown origin)
50043784	5	ChEMBL_1286753 (CHEMBL3111696)	Inhibition of CYP2D6 (unknown origin)
50043784	6	ChEMBL_1286761 (CHEMBL3111866)	Inhibition of CYP2C9 (unknown origin)
50043784	7	ChEMBL_1286754 (CHEMBL3111697)	Inhibition of CYP2C19 (unknown origin)
50043784	8	ChEMBL_1286762 (CHEMBL3111867)	Inhibition of CYP1A2 (unknown origin)
50043785	1	ChEMBL_1286909 (CHEMBL3110823)	Inhibition of Plasmodium falciparum plasmepsin-2 after 60 mins by fluorescence assay
50043786	1	ChEMBL_1286966 (CHEMBL3111131)	Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis
50043787	1	ChEMBL_1286970 (CHEMBL3111135)	Inhibition of castor bean ricin-induced toxicity in human A549 cells assessed as protection against toxin-induced inhibition of protein biosynthesis by measuring incorporation of [14C]-leucine into cells preincubated for 1 hr followed by toxin challenge measured after 20 hrs by liquid scintillation counting analysis
50043788	1	ChEMBL_1286987 (CHEMBL3111152)	Inhibition of triiodothyronine-induced thyroid hormone receptor-beta (unknown origin)-mediated transcription expressed in HEK293T cells after 16 hrs by luciferase reporter gene assay
50043788	2	ChEMBL_1286988 (CHEMBL3111153)	Inhibition of triiodothyronine-induced thyroid hormone receptor-alpha (unknown origin)-mediated transcription expressed in HEK293T cells after 16 hrs by luciferase reporter gene assay
50043788	3	ChEMBL_1287001 (CHEMBL3111312)	Inhibition of 1,25(OH)2D3-induced VDR-LBD (unknown origin)-mediated GAL4-labeled SRC1 transcription expressed in HEK293T cells after 16 hrs by two-hydrid luciferase reporter gene assay
50043788	4	ChEMBL_1287003 (CHEMBL3111314)	Inhibition of 1,25(OH)2D3-induced VDR (unknown origin)-mediated CYP24A1 transcription expressed in HEK293T cells after 16 hrs by luciferase reporter gene assay
50043788	5	ChEMBL_1287004 (CHEMBL3111315)	Inhibition of LG190178-induced VDR-LBD (unknown origin)-SRC2-3 interaction after 2 hrs by fluorescence polarization assay
50043789	1	ChEMBL_1287094 (CHEMBL3111724)	Inhibition of GLP (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay
50043789	2	ChEMBL_1287116 (CHEMBL3111905)	Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay
50043789	3	ChEMBL_1287119 (CHEMBL3111908)	Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay
50043790	1	ChEMBL_1287123 (CHEMBL3111912)	Inhibition of TrkA (unknown origin) using fluorescently labeled peptide substrate after 3 hrs
50043791	1	ChEMBL_1287129 (CHEMBL3111918)	Inhibition of recombinant human factor D expressed in Escherichia coli using Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-fluoresceine as substrate preincubated for 1 hr followed by substrate addition by spectrofluorimetric analysis
50043792	1	ChEMBL_1287204 (CHEMBL3112261)	Inhibition of recombinant human PRMT1 expressed in Escherichia coli using histone H4 peptide as substrate by chemiluminescence assay
50043793	1	ChEMBL_1287340 (CHEMBL3111170)	Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate after 10 mins
50043793	2	ChEMBL_1287332 (CHEMBL3111162)	Inhibition of 15-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins
50043793	3	ChEMBL_1287338 (CHEMBL3111168)	Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins
50043793	4	ChEMBL_1287333 (CHEMBL3111163)	Inhibition of 12-LO in human PMNL using arachidonic acid preincubated for 15 mins
50043793	6	ChEMBL_1287330 (CHEMBL3111160)	Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using 5 uM of arachidonic acid as substrate preincubated for 15 mins measured after 10 mins
50043793	7	ChEMBL_1287336 (CHEMBL3111166)	Inhibition of 5-LO (unknown origin)
50043793	8	ChEMBL_1287331 (CHEMBL3111161)	Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using 40 uM of arachidonic acid as substrate preincubated for 15 mins measured after 10 mins
50043794	1	ChEMBL_1287432 (CHEMBL3111563)	Inhibition of human telomerase isolated from human U937 cellular extracts by SYBR Green staining-based TRAP assay
50043794	2	ChEMBL_1287433 (CHEMBL3111564)	Inhibition of human telomerase isolated from human HeLa cells nuclear extracts expressed in insect cells assessed as [33P]dCMP incorporation after 30 mins by liquid scintillation counting analysis
50043794	3	ChEMBL_1287434 (CHEMBL3111565)	Inhibition of human telomerase isolated from human A431 cellular extracts after 30 mins by TRAP assay
50043794	4	ChEMBL_1287435 (CHEMBL3111566)	Inhibition of human telomerase activity by TRAP assay
50043794	5	ChEMBL_1287436 (CHEMBL3111567)	Inhibition of human telomerase activity in human Jurkat cells by TRAP assay
50043794	6	ChEMBL_1287438 (CHEMBL3111569)	Inhibition of rat telomerase by TRAP assay
50043794	7	ChEMBL_1287437 (CHEMBL3111568)	Inhibition of human telomerase activity after 8 mins by SYBR Green staining-based TRAP assay
50043795	1	ChEMBL_1287447 (CHEMBL3111742)	Antagonist activity at human NK2 receptor
50043796	1	ChEMBL_1287772 (CHEMBL3111604)	Inhibition of N-terminal His-tagged Aurora A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay
50043796	2	ChEMBL_1287773 (CHEMBL3111605)	Inhibition of full length Aurora B (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins by fluorescence assay
50043796	3	ChEMBL_1287777 (CHEMBL3111609)	Inhibition of Myc-tagged wild type MPS1 autophosphorylation in human HCT116 cells after 2 hrs in presence of proteosome inhibitor MG132
50043796	4	ChEMBL_1287774 (CHEMBL3111606)	Inhibition of full length CDK2/Cyclin A (unknown origin) using 5FAMQSPKKG-CONH2 as substrate after 60 mins by fluorescence assay
50043796	5	ChEMBL_1287776 (CHEMBL3111608)	Inhibition of PLK1 (unknown origin)
50043796	6	ChEMBL_1287782 (CHEMBL3111614)	Inhibition of NEK2 (unknown origin)
50043796	7	ChEMBL_1287775 (CHEMBL3111607)	Inhibition of N-terminal 6XHis-tagged/GST-tagged full length human MPS1 expressed in recombinant baculovirus infected sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after 60 to 90 mins by fluorescence assay
50043797	1	ChEMBL_1287805 (CHEMBL3111800)	Inhibition of human CYP2D6
50043797	2	ChEMBL_1287804 (CHEMBL3111799)	Inhibition of human CYP2C19
50043797	3	ChEMBL_1287807 (CHEMBL3111802)	Inhibition of human CYP2C9
50043797	4	ChEMBL_1287886 (CHEMBL3112170)	Inhibition of human recombinant full length HDAC3-NCoR2 using Lys_Ac_AMC as substrate after 60 mins by fluorescence assay
50043798	1	ChEMBL_1287898 (CHEMBL3112317)	Binding affinity to human K-RAS by NMR analysis
50043798	2	ChEMBL_1287899 (CHEMBL3112318)	Binding affinity to full-length Rheb (unknown origin) by NMR spectroscopic analysis
50043799	1	ChEMBL_1287913 (CHEMBL3112332)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis
50043799	2	ChEMBL_1287909 (CHEMBL3112328)	Binding affinity to alpha3beta4alpha5 nAChR (unknown origin)
50043800	1	ChEMBL_1287917 (CHEMBL3112336)	Inhibition of 3-HAO in human brain homogenates using [1-14C]-3-HANA as substrate assessed as [14C]-QUIN production after 1 hr by liquid scintillation spectrometric analysis
50043800	2	ChEMBL_1287918 (CHEMBL3112337)	Inhibition of 3-HAO in Sprague-Dawley rat brain homogenates using [1-14C]-3-HANA as substrate assessed as [14C]-QUIN production after 1 hr by liquid scintillation spectrometric analysis
50043801	2	ChEMBL_1286312 (CHEMBL3111439)	Inhibition of human ACC2 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis
50043801	3	ChEMBL_1286313 (CHEMBL3111440)	Inhibition of human ACC1 assessed as acetylCoA to malonylCoA conversion after 10 mins by LC-MS/MS analysis
50043801	4	ChEMBL_1286292 (CHEMBL3111263)	Inhibition of human CYP2D6
50043801	5	ChEMBL_1286300 (CHEMBL3111427)	Inhibition of mouse ACC1
50043801	6	ChEMBL_1286301 (CHEMBL3111428)	Inhibition of mouse ACC2
50043802	1	ChEMBL_1286324 (CHEMBL3111451)	Inhibition of PARP2 (unknown origin)
50043803	1	ChEMBL_1286425 (CHEMBL3112013)	Inhibition of human recombinant CDK2 using ATP/Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 30 mins by LANCE assay
50043804	1	ChEMBL_1286508 (CHEMBL3110376)	Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA
50043805	1	ChEMBL_1286614 (CHEMBL3111089)	Antagonist activity at human TRPM2 expressed in HEK293 cells assessed as inhibition of ADPR-induced maximum outward potassium current at +15 mV by whole-cell patch-clamp electrophysiology
50043806	1	ChEMBL_1287823 (CHEMBL3111818)	Inhibition of N-terminal His-tagged human PPM1D (1 to 420) assessed as phosphoric acid release after 30 mins
50043807	1	ChEMBL_1286355 (CHEMBL3111636)	Inhibition of recombinant PRK1 (unknown origin) using casein as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	2	ChEMBL_1286356 (CHEMBL3111637)	Inhibition of recombinant PLK1 (unknown origin) using casein as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	3	ChEMBL_1286357 (CHEMBL3111638)	Inhibition of recombinant PIM1 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	4	ChEMBL_1286358 (CHEMBL3111639)	Inhibition of recombinant NEK6 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	5	ChEMBL_1286359 (CHEMBL3111640)	Inhibition of recombinant NEK2 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	6	ChEMBL_1286360 (CHEMBL3111641)	Inhibition of wild type MET (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	7	ChEMBL_1286362 (CHEMBL3111643)	Inhibition of recombinant IGF1R (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	8	ChEMBL_1286363 (CHEMBL3111644)	Inhibition of recombinant FAK (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	9	ChEMBL_1286364 (CHEMBL3111645)	Inhibition of recombinant AXL (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	10	ChEMBL_1286365 (CHEMBL3111646)	Inhibition of recombinant aurora kinase B (unknown origin) using tetra(LRRWSLG) as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	11	ChEMBL_1286366 (CHEMBL3111647)	Inhibition of recombinant ARK5 (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	12	ChEMBL_1286367 (CHEMBL3111648)	Inhibition of recombinant ALK (unknown origin) assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043807	13	ChEMBL_1286368 (CHEMBL3111649)	Inhibition of recombinant AKT1 (unknown origin) using GSK3 (14 to 27) as substrate assessed as incorporation of [gamma-33P]-ATP into substrate by radiometric assay
50043808	1	ChEMBL_1286462 (CHEMBL3112194)	Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of icilin-induced intracellular Ca2+ influx by fluorescence-based assay
50043808	2	ChEMBL_1286463 (CHEMBL3112195)	Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellular Ca2+ influx by fluorescence-based assay
50043808	3	ChEMBL_1286464 (CHEMBL3112196)	Antagonist activity at human brain TRPV1 expressed in HEK293T cells assessed as inhibition of CAP-induced intracellular Ca2+ influx by fluorescence-based assay
50043808	4	ChEMBL_1286473 (CHEMBL3112345)	Competitive antagonist activity at human brain TRPV1 expressed in HEK293T cells assessed as inhibition of CAP-induced intracellular Ca2+ influx preincubated for 3 mins followed by CAP challenge by Schlid plot analysis
50043808	5	ChEMBL_1286488 (CHEMBL3112360)	Competitive antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellular Ca2+ influx by Schlid plot analysis
50043808	6	ChEMBL_1286472 (CHEMBL3112204)	Antagonist activity at human brain TRPV1 expressed in HEK293T cells assessed as inhibition of heat-induced intracellular Ca2+ influx measured for 42 mins by fluorescence-based assay
50043808	7	ChEMBL_1286451 (CHEMBL3112183)	Agonist activity at TRPA1 isolated from human W138 cells expressed in HEK293T cells assessed as intracellular Ca2+ influx by Fluo-4 AM staining-based fluorescence analysis
50043809	1	ChEMBL_1286564 (CHEMBL3110797)	Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate by Dixon reciprocal plot analysis
50043809	2	ChEMBL_1286565 (CHEMBL3110798)	Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by colorimetry
50043810	1	ChEMBL_1286854 (CHEMBL3112238)	Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 5 mins by Dixon plot analysis
50043810	2	ChEMBL_1286855 (CHEMBL3112239)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 5 mins by Ellman's method
50043811	1	ChEMBL_1290204 (CHEMBL3117939)	Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate incubated 10 mins prior to substrate addition measured after 10 mins by Ellman's method
50043812	1	ChEMBL_1290210 (CHEMBL3117945)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 after 30 mins by HTRF assay
50043812	2	ChEMBL_1290216 (CHEMBL3117951)	Inhibition of Flt-3 (unknown origin) using poly (Glu, Tyr) 4:1 after 30 mins by HTRF assay
50043812	3	ChEMBL_1290223 (CHEMBL3118144)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 after 30 mins by HTRF assay
50043813	1	ChEMBL_1290437 (CHEMBL3119548)	Binding affinity to human CXCR3 receptor
50043814	1	ChEMBL_1290449 (CHEMBL3119560)	Inhibition of CYP2C9 (unknown origin) compound preincubated with substrate
50043814	2	ChEMBL_1290450 (CHEMBL3119561)	Inhibition of CYP2D6 (unknown origin) compound preincubated with substrate
50043814	3	ChEMBL_1290452 (CHEMBL3119563)	Inhibition of CYP2C9 (unknown origin) compound co-incubated with substrate
50043814	4	ChEMBL_1290454 (CHEMBL3119565)	Inhibition of CYP2D6 (unknown origin) compound co-incubated with substrate
50043815	1	ChEMBL_1290678 (CHEMBL3117250)	Inhibition of PTK6 (unknown origin) phosphorylation using Z'-LYTE-Tyr 1 peptide substrate after 1 hr by fluorescence assay
50043816	1	ChEMBL_1290685 (CHEMBL3117488)	Inhibition of transcription factor AP-1 binding to oligonucleotide containing TPA-responsive element in TPA-activated human HeLa cells after 1 hr by ELISA
50043817	1	ChEMBL_1290701 (CHEMBL3117504)	Inhibition of PARP-1 (unknown origin) assessed as NAD+ consumption after 20 mins by fluorometric analysis in presence of activated DNA
50043818	1	ChEMBL_1290904 (CHEMBL3118686)	Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrate by Michaelis-Menten equation analysis
50043819	1	ChEMBL_1290921 (CHEMBL3118894)	Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry
50043819	2	ChEMBL_1290926 (CHEMBL3118899)	Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA in presence of pig liver esterase
50043819	3	ChEMBL_1290927 (CHEMBL3118900)	Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA
50043820	1	ChEMBL_1290935 (CHEMBL3118908)	Agonist activity at human GPR119 transfected in CHO cells assessed as cAMP accumulation after 2 hrs by luciferase reporter gene assay
50043821	1	ChEMBL_1291639 (CHEMBL3119386)	Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluorescence based HTRF assay
50043822	1	ChEMBL_1288378 (CHEMBL3118036)	Inhibition of porcine aorta lysyl oxidase preincubated for 30 mins followed by substrate addition
50043822	2	ChEMBL_1288377 (CHEMBL3118035)	Inhibition of porcine kidney DAO using [1,4-14C]-putrescine as substrate preincubated for 30 mins followed by substrate addition
50043823	1	ChEMBL_1288404 (CHEMBL3118062)	Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043823	2	ChEMBL_1288406 (CHEMBL3118258)	Inhibition of CYP2C8 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043823	3	ChEMBL_1288411 (CHEMBL3118263)	Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay
50043823	4	ChEMBL_1288413 (CHEMBL3118265)	Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay
50043824	1	ChEMBL_1289541 (CHEMBL3117672)	Displacement of [3H]-L-AP4 from human mGlu4 receptor
50043824	2	ChEMBL_1289542 (CHEMBL3117673)	Agonist activity at human mGlu4 receptor by FLIPR assay relative to control
50043825	1	ChEMBL_1290010 (CHEMBL3116759)	Binding affinity to F11A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis
50043825	2	ChEMBL_1290011 (CHEMBL3116760)	Binding affinity to F10A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis
50043826	1	ChEMBL_1290037 (CHEMBL3116955)	Antagonist activity at recombinant integrin alpha2 beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen type-1 after 3 hrs by solid phase ELISA-type assay
50043826	2	ChEMBL_1290035 (CHEMBL3116953)	Antagonist activity at integrin alpha5beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen type-1 after 3 hrs by solid phase ELISA-type assay
50043826	3	ChEMBL_1290036 (CHEMBL3116954)	Antagonist activity at integrin alpha1beta1 receptor (unknown origin) assessed as inhibition of interaction with biotinylated collagen type-1 after 3 hrs by solid phase ELISA-type assay
50043827	1	ChEMBL_1290039 (CHEMBL3116957)	Antagonist activity at rat EP4 receptor expressed in HEK293 cells assessed as inhibition of PGE2-stimulated cAMP production after 30 mins by HTRF assay
50043828	1	ChEMBL_1290263 (CHEMBL3118392)	Antagonist activity at CCR2 receptor in human THP1 cells assessed as inhibition of MCP-1 induced chemotaxis after 3 hrs
50043828	2	ChEMBL_1290264 (CHEMBL3118393)	Binding affinity to CCR2 receptor (unknown origin)
50002458	8	ChEMBL_1764600 (CHEMBL4199847)	Inhibition of recombinant human His-tagged p85alpha/p110alpha E542K mutant expressed in insect cells
50002458	9	ChEMBL_1764603 (CHEMBL4199850)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS analysis
50043829	4	ChEMBL_1290299 (CHEMBL3118621)	Inhibition of PHD2 in HEK293 cells assessed as VEGF release by immunoassay
50002458	10	ChEMBL_1764604 (CHEMBL4199851)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS analysis
50043829	6	ChEMBL_1290280 (CHEMBL3118409)	Inhibition of 6xHis-tagged VHL (unknown origin) expressed in Escherichia coli BL21 cells by fluorescence polarization assay
50043829	7	ChEMBL_1290281 (CHEMBL3118410)	Inhibition of human PHD2 expressed in Sf9 cells using HIF-1alpha peptide as substrate after 30 mins by TR-FRET assay
50002458	11	ChEMBL_1764605 (CHEMBL4199852)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS analysis
50002458	12	ChEMBL_1764607 (CHEMBL4199854)	Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate pretreated for 5 mins followed by NADPH addition and measured after 45 mins by LC-MS analysis
50002458	13	ChEMBL_1764608 (CHEMBL4199855)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS analysis
50043829	11	ChEMBL_1290287 (CHEMBL3118609)	Inhibition of PHD2 (181 to 417) (unknown origin) using HIF-1alpha peptide as substrate assessed as 2-Oxoglutarate conversion to succinic acid preincubated for 30 mins followed by substrate addition measured after 30 mins by beta counting analysis
50043829	12	ChEMBL_1290289 (CHEMBL3118611)	Inhibition of PHD2 (181 to 417) (unknown origin) using HIF-1alpha peptide as substrate assessed as 2-Oxoglutarate conversion to succinic acid by beta counting analysis
50043829	13	ChEMBL_1290291 (CHEMBL3118613)	Inhibition of PHD3 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by HTRF assay in presence of 2-oxoglutarate
50043829	14	ChEMBL_1290292 (CHEMBL3118614)	Inhibition of PHD1 (unknown origin) expressed in Sf9 cells using HIF-1alpha peptide as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by HTRF assay in presence of 2-oxoglutarate
50043829	15	ChEMBL_1290296 (CHEMBL3118618)	Inhibition of PHD2 (unknown origin) using P564 HIFlalpha as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by [14C]2-OG assay
50043829	17	ChEMBL_1290300 (CHEMBL3118622)	Inhibition of full length human recombinant EGLN-3 using DLDLEALAPYIPADDDFQL as substrate after 20 mins by mass spectrophotometric analysis
50043829	19	ChEMBL_1290487 (CHEMBL3119778)	Inhibition of PHD2 (unknown origin)
50002458	14	ChEMBL_1764601 (CHEMBL4199848)	Inhibition of recombinant human His-tagged p85alpha/p110alpha E545K mutant expressed in insect cells
50002458	15	ChEMBL_1764610 (CHEMBL4199857)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate pretreated for 5 mins followed by NADPH addition and measured after 5 mins by LC-MS analysis
50043830	1	ChEMBL_1290497 (CHEMBL3119788)	Inhibition of JAK2 (unknown origin) by radioactive ATP method
50043830	2	ChEMBL_1290499 (CHEMBL3119790)	Inhibition of SYK (unknown origin) by radioactive ATP method
50043830	3	ChEMBL_1290501 (CHEMBL3119792)	Inhibition of full-length ZAP70 (unknown origin) by radioactive ATP method
50043831	1	ChEMBL_1290503 (CHEMBL3119794)	Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA
50043832	1	ChEMBL_1290726 (CHEMBL3117738)	Displacement of [3H]spiperone from low-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counting analysis
50043832	2	ChEMBL_1290725 (CHEMBL3117737)	Displacement of [3H]spiperone from low-affinity state of human dopamine D2S receptor transfected in HEK293 cells after 2 hrs by scintillation counting analysis
50043832	3	ChEMBL_1290727 (CHEMBL3117739)	Displacement of [3H]spiperone from high-affinity state of human dopamine D2L receptor transfected in HEK293 cells after 2 hrs by scintillation counting analysis
50043832	4	ChEMBL_1290721 (CHEMBL3117733)	Agonist activity at human dopamine D2L receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by LANCE assay
50043832	5	ChEMBL_1290533 (CHEMBL3119982)	Binding affinity to high-affinity state of D2L receptor (unknown origin) expressed in CHO cell membranes
50043832	6	ChEMBL_1290534 (CHEMBL3119983)	Displacement of [3H]-spiperone from high-affinity state of recombinant human dopamine D2L receptor expressed in CHO cells after 45 mins by scintillation counting analysis
50043832	7	ChEMBL_1290535 (CHEMBL3119984)	Binding affinity to high-affinity state of D2L receptor (unknown origin)
50043832	8	ChEMBL_1290537 (CHEMBL3119986)	Displacement of [3H]-iodosulpiride from cloned human dopamine D2S receptor expressed in CHO cells
50043832	9	ChEMBL_1290539 (CHEMBL3119988)	Displacement of [3H]-iodosulpiride from recombinant high-affinity state of human dopamine D2L receptor
50043832	10	ChEMBL_1290541 (CHEMBL3119990)	Displacement of [3H]-raclopride from high-affinity state of human dopamine D2L receptor (443 amino acids) expressed in LTK deficient mouse fibroblasts after 60 mins by liquid scintillation counting analysis
50043833	1	ChEMBL_1290742 (CHEMBL3117754)	Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr
50043833	2	ChEMBL_1290738 (CHEMBL3117750)	Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr
50043833	3	ChEMBL_1290739 (CHEMBL3117751)	Inhibition of human PC7 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr
50043833	4	ChEMBL_1290741 (CHEMBL3117753)	Inhibition of human recombinant furin expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr
50043834	1	ChEMBL_1290745 (CHEMBL3117757)	Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis
50043834	2	ChEMBL_1290750 (CHEMBL3117762)	Antagonist activity at OXE receptor (unknown origin) expressed in neutrophils assessed as inhibition of 5-oxo-ETE-induced cell migration after 2 hrs by hematoxylin/chromotrope 2R staining-based microscopic analysis
50043834	3	ChEMBL_1290754 (CHEMBL3117953)	Antagonist activity at OXE receptor (unknown origin) expressed in anti-CD49d-labeled eosinophils assessed as inhibition of 5-oxo-ETE-induced F-actin polymerization preincubated for 5 mins followed by 5-oxo-ETE induction measured after 20 secs by flow cytometric analysis
50043834	4	ChEMBL_1290942 (CHEMBL3118915)	Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins prior to 5-oxo-ETE induction by spectrofluorometric analysis
50043834	5	ChEMBL_1290941 (CHEMBL3118914)	Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization by spectrofluorometric analysis
50043835	1	ChEMBL_1291203 (CHEMBL3116809)	Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl[3H]-L-glutamate as substrate
50043835	2	ChEMBL_1291204 (CHEMBL3116810)	Inhibition of GCP2 (unknown origin)
50043836	4	ChEMBL_1291248 (CHEMBL3117033)	Inhibition of human SIK
50043836	5	ChEMBL_1291249 (CHEMBL3117034)	Inhibition of human LIMK1
50043836	6	ChEMBL_1291250 (CHEMBL3117035)	Inhibition of human aurora A kinase
50043836	7	ChEMBL_1291427 (CHEMBL3118217)	Inhibition of human ALK
50043836	8	ChEMBL_1291428 (CHEMBL3118218)	Inhibition of human Ret
50043836	9	ChEMBL_1291430 (CHEMBL3118220)	Inhibition of human Flt3
50043836	10	ChEMBL_1291431 (CHEMBL3118221)	Inhibition of human TrkA
50043836	11	ChEMBL_1291432 (CHEMBL3118222)	Inhibition of human JAK3
50043836	12	ChEMBL_1291433 (CHEMBL3118223)	Inhibition of human Abl
50043836	13	ChEMBL_1291224 (CHEMBL3117009)	Inhibition of Tyk2 in mouse BA/F3 cells expressing TEL-Tyk2 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis
50043836	14	ChEMBL_1291225 (CHEMBL3117010)	Inhibition of Jak3 in mouse BA/F3 cells expressing TEL-Jak3 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis
50043836	15	ChEMBL_1291226 (CHEMBL3117011)	Inhibition of Jak2 in mouse BA/F3 cells expressing TEL-Jak2 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis
50043836	16	ChEMBL_1291227 (CHEMBL3117012)	Inhibition of Jak1 in mouse BA/F3 cells expressing TEL-Jak1 assessed as inhibition of STAT5 phosphorylation by Western blotting analysis
50043836	17	ChEMBL_1291231 (CHEMBL3117016)	Inhibition of human recombinant 6 X His-tagged full length CK2alpha expressed in insect sf21 cells using CK2tide as substrate after 20 mins by fluorescence assay
50043837	1	ChEMBL_1289164 (CHEMBL3119037)	Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr
50043838	1	ChEMBL_1289180 (CHEMBL3119242)	Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method
50043839	1	ChEMBL_1289379 (CHEMBL3116711)	Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay
50043840	1	ChEMBL_1289619 (CHEMBL3118126)	Inhibition of human wild-type ALDH3A1-mediated benzaldehyde oxidation
50043840	2	ChEMBL_1289626 (CHEMBL3118133)	Non-competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 100 to 500 uM NADP+
50043840	3	ChEMBL_1289627 (CHEMBL3118134)	Competitive inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis in presence of 1.5 mM NADP+
50043840	4	ChEMBL_1289633 (CHEMBL3118331)	Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis
50043841	1	ChEMBL_1289890 (CHEMBL3119745)	Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay
50002458	16	ChEMBL_1764606 (CHEMBL4199853)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate pretreated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS analysis
50002458	17	ChEMBL_1764611 (CHEMBL4199858)	Inhibition of recombinant human ERG expressed in CHO cells by automated whole cell patch clamp Qpatch method
50002459	1	ChEMBL_1764631 (CHEMBL4199878)	Inhibition of recombinant human N-terminal 6His/flag-tagged BMP1 (121 to 721 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2) as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins
50002459	2	ChEMBL_1764632 (CHEMBL4199879)	Inhibition of MMP12 (unknown origin)
50043841	3	ChEMBL_1289892 (CHEMBL3119747)	Inhibition of N-terminal ploy-His-tagged human PI3Kalpha expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay
50043841	5	ChEMBL_1289874 (CHEMBL3119544)	Inhibition of VPS34 (unknown origin)
50043841	6	ChEMBL_1289875 (CHEMBL3119545)	Inhibition of PI3KC2gamma (unknown origin)
50043841	7	ChEMBL_1289877 (CHEMBL3119547)	Inhibition of PI3KC2beta (unknown origin)
50043841	8	ChEMBL_1289876 (CHEMBL3119546)	Inhibition of PI3KC2alpha (unknown origin)
50043841	9	ChEMBL_1289878 (CHEMBL3119733)	Inhibition of DNA-PK (unknown origin)
50043841	10	ChEMBL_1289879 (CHEMBL3119734)	Inhibition of mTOR (unknown origin)
50043841	11	ChEMBL_1289891 (CHEMBL3119746)	Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay
50002459	3	ChEMBL_1764635 (CHEMBL4199882)	Inhibition of recombinant human N-terminal 6His-tagged TLL2 (26 to 1015 residues) expressed in CHO cells using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2) as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins
50043841	12	ChEMBL_1289889 (CHEMBL3119744)	Inhibition of C-terminal ploy-His-tagged human PI3Kgamma expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HTRF assay
50043842	1	ChEMBL_1290064 (CHEMBL3117184)	Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis
50043842	2	ChEMBL_1289894 (CHEMBL3119749)	Binding affinity to human CK-beta by tryptophan fluorescence spectroscopic analysis
50043843	1	ChEMBL_1290079 (CHEMBL3117199)	Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay
50043843	2	ChEMBL_1290080 (CHEMBL3117200)	Inhibition of Clostridium botulinum BoNT/A LC assessed as cleavage of SNAP-25 (141 to 206) after 30 mins by LC-MS analysis
50043844	1	ChEMBL_1290315 (CHEMBL3118637)	Inhibition of JAK2 (unknown origin)
50043844	2	ChEMBL_1290316 (CHEMBL3118638)	Inhibition of SYK (unknown origin)
50043844	3	ChEMBL_1290317 (CHEMBL3118639)	Inhibition of IKKbeta (unknown origin)
50043844	4	ChEMBL_1290320 (CHEMBL3118642)	Inhibition of Aurora A (unknown origin)
50043844	5	ChEMBL_1290327 (CHEMBL3118840)	Inhibition of BRAF1 (unknown origin)
50043844	6	ChEMBL_1290336 (CHEMBL3118849)	Inhibition of Akt1 (unknown origin) using ATP/eNOS as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence polarization assay
50043845	1	ChEMBL_1290357 (CHEMBL3118870)	Inhibition of 12-LOX in mouse BTC3 cells assessed as inhibition of arachidonic acid/calcium ionophore-induced 12-HETE production after 4 hrs by ELISA
50043845	2	ChEMBL_1290362 (CHEMBL3118875)	Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Michaelis Menten equation analysis
50043845	3	ChEMBL_1290363 (CHEMBL3118876)	Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Michaelis Menten equation analysis
50043845	4	ChEMBL_1290548 (CHEMBL3119997)	Inhibition of human 5-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis
50043845	5	ChEMBL_1290549 (CHEMBL3119998)	Inhibition of N-terminal His6-tagged human epithelial 15-LOX2 using arachidonic acid as substrate by UV-vis spectrophotometric analysis
50043845	6	ChEMBL_1290552 (CHEMBL3116601)	Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis
50043845	7	ChEMBL_1290553 (CHEMBL3116602)	Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis
50043846	1	ChEMBL_1290554 (CHEMBL3116603)	Inhibition of mTOR (unknown origin) by KINOMEscan assay
50043847	1	ChEMBL_1290765 (CHEMBL3117964)	Antagonist activity at dopamine D2 receptor (unknown origin) expressed in HEK cells co-expressing Gqi5 assessed as inhibition of dopamine-induced effect by FLIPR assay
50043848	1	ChEMBL_1290812 (CHEMBL3118190)	Inhibition of Toxoplasma gondii enoyl-ACP reductase-NADH complex
50043849	1	ChEMBL_1291251 (CHEMBL3117036)	Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled GK measured after 2 to 4 hrs by Alpha Screen assay
50043849	2	ChEMBL_1291068 (CHEMBL3119630)	Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40 mins by Hoechst 33342 staining-based assay
50043850	1	ChEMBL_1291282 (CHEMBL3117272)	Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity after 100 mins
50043851	1	ChEMBL_1291533 (CHEMBL3118705)	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured after 2 hrs by liquid scintillation counting
50043851	2	ChEMBL_1291534 (CHEMBL3118706)	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins followed by CGRP addition measured after 3 hrs by beta-lactamase reporter gene-based FRET assay
50043852	1	ChEMBL_1291542 (CHEMBL3118714)	Inhibition of EGFR (unknown origin) after 10 mins
50043852	2	ChEMBL_1291543 (CHEMBL3118715)	Inhibition of EGF-stimulated autophosphorylation of EGFR in human KB cells incubated for 1 hr prior to EGF challenge measured after 6 mins by ELISA
50043853	1	ChEMBL_1291568 (CHEMBL3118924)	Inhibition of human CYP2D6
50043853	2	ChEMBL_1291567 (CHEMBL3118923)	Inhibition of human CYP2C9
50043853	3	ChEMBL_1291570 (CHEMBL3118926)	Inhibition of human CYP2C19
50043853	4	ChEMBL_1291569 (CHEMBL3118925)	Inhibition of human CYP1A2
50043854	1	ChEMBL_1288245 (CHEMBL3117319)	Inhibition of CYP2C9 (unknown origin)
50043855	1	ChEMBL_1288251 (CHEMBL3117325)	Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry
50043856	1	ChEMBL_1288277 (CHEMBL3117560)	Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay
50043856	2	ChEMBL_1288270 (CHEMBL3117344)	Competitive inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate by double reciprocal plot analysis
50043856	3	ChEMBL_1288269 (CHEMBL3117343)	Inhibition of human FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate after 30 mins by chemiluminescence assay
50043856	4	ChEMBL_1288272 (CHEMBL3117346)	Inhibition of mouse EAP using p-nitrophenyl phosphate as substrate after 30 mins by chemiluminescence assay
50043856	5	ChEMBL_1288273 (CHEMBL3117347)	Inhibition of mouse duodenal-specific FLAG-tagged IAP expressed in African green monkey COS1 cells using p-nitrophenyl phosphate as substrate after 30 mins by chemiluminescence assay
50043856	6	ChEMBL_1288274 (CHEMBL3117348)	Inhibition of FLAG-tagged PLAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay
50043856	7	ChEMBL_1288275 (CHEMBL3117558)	Inhibition of FLAG-tagged TNAP (unknown origin) expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay
50043856	8	ChEMBL_1288276 (CHEMBL3117559)	Inhibition of human FLAG-tagged IAP expressed in African green monkey COS1 cells after 30 mins by chemiluminescence assay
50043857	1	ChEMBL_1288282 (CHEMBL3117565)	Inhibition of human CYP2C19
50043857	2	ChEMBL_1288285 (CHEMBL3117568)	Inhibition of human CYP1A2
50043857	3	ChEMBL_1288284 (CHEMBL3117567)	Inhibition of human CYP2D6
50043857	4	ChEMBL_1288287 (CHEMBL3117570)	Inhibition of human CYP2C9
50043858	1	ChEMBL_1288543 (CHEMBL3118976)	Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay
50043858	2	ChEMBL_1288544 (CHEMBL3118977)	Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay
50002459	4	ChEMBL_1764655 (CHEMBL4199902)	Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by substrate addition measured for 120 mins by FRET assay
50002459	5	ChEMBL_1764656 (CHEMBL4199903)	Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by substrate addition by FRET assay
50002459	6	ChEMBL_1764657 (CHEMBL4199904)	Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by substrate addition by FRET assay
50043860	1	ChEMBL_1289052 (CHEMBL3118310)	Inhibition of CDK2/cyclinE (unknown origin)
50043860	2	ChEMBL_1289047 (CHEMBL3118305)	Inhibition of His-6-tagged recombinant human CDK7/cyclinH expressed in baculovirus-infected sf9 cells using biotinyl-Ahx-(YSPTSPS)4 as substrate after 45 mins by liquid scintillation counting in presence of [gamma-32P]ATP
50043860	3	ChEMBL_1289053 (CHEMBL3118311)	Inhibition of CDK1/cyclinB (unknown origin)
50043860	4	ChEMBL_1289051 (CHEMBL3118309)	Inhibition of GST-tagged recombinant human CDK4/cyclinD1 after 2.5 mins by liquid scintillation counting in presence of radiolabelled ATP
50043860	5	ChEMBL_1289040 (CHEMBL3118104)	Inhibition of CDK2/cyclinA (unknown origin)
50043860	6	ChEMBL_1289045 (CHEMBL3118303)	Inhibition of His-6-tagged CDK4 (unknown origin) expressed in baculovirus-infected insect cells using GST-retinoblastoma as substrate after 1 hr by by liquid scintillation counting in presence of [gamma-33P]ATP
50043860	7	ChEMBL_1289049 (CHEMBL3118307)	Inhibition of His-6-tagged recombinant human CDK2/cyclinE expressed in baculovirus-infected sf9 cells using histone H1 as substrate after 10 mins by liquid scintillation counting in presence of [gamma-32P]ATP
50043860	8	ChEMBL_1289041 (CHEMBL3118105)	Inhibition of CDK4/cyclinD1 (unknown origin)
50043860	9	ChEMBL_1289054 (CHEMBL3118312)	Inhibition of His-6-tagged CDK1 (unknown origin) expressed in baculovirus-infected insect cells using histone H1 as substrate after 1 hr by by liquid scintillation counting in presence of [gamma-33P]ATP
50043860	10	ChEMBL_1289046 (CHEMBL3118304)	Inhibition of His-6-tagged CDK2 (unknown origin) expressed in baculovirus-infected insect cells using histone H1 as substrate after 1 hr by by liquid scintillation counting in presence of [gamma-33P]ATP
50043860	11	ChEMBL_1288867 (CHEMBL3117352)	Inhibition of PI3Kdelta (unknown origin)
50043860	12	ChEMBL_1288868 (CHEMBL3117353)	Inhibition of ABL (unknown origin)
50043860	13	ChEMBL_1288871 (CHEMBL3117356)	Inhibition of FMS (unknown origin)
50043860	14	ChEMBL_1288872 (CHEMBL3117357)	Inhibition of FLT3 (unknown origin)
50043860	15	ChEMBL_1288874 (CHEMBL3117359)	Inhibition of ARK5 (unknown origin)
50043860	16	ChEMBL_1289044 (CHEMBL3118302)	Inhibition of GST-tagged human CDK1/cyclinB expressed in sf9 cells using GST-pRb as substrate by [gamma-33P]ATP assay
50043860	17	ChEMBL_1289043 (CHEMBL3118301)	Inhibition of GST-tagged human CDK2/cyclinE expressed in sf9 cells using GST-pRb as substrate by [gamma-33P]ATP assay
50043860	18	ChEMBL_1289048 (CHEMBL3118306)	Inhibition of His-6-tagged recombinant human CDK4/cyclinD1 using GST-retinoblastoma (773 to 928) as substrate after 45 mins by liquid scintillation counting in presence of [gamma-32P]ATP
50043860	19	ChEMBL_1288875 (CHEMBL3117360)	Inhibition of CDK6/cyclinD1 (unknown origin)
50043860	20	ChEMBL_1289042 (CHEMBL3118106)	Inhibition of GST-tagged human CDK4/cyclinD1 expressed in sf9 cells using GST-pRb as substrate by [gamma-33P]ATP assay
50043860	21	ChEMBL_1288876 (CHEMBL3117361)	Inhibition of CDK4/cyclinD1 (unknown origin) using retinoblastoma as substrate after 30 mins by autoradiography in presence of [gamma-32P]ATP
50043860	22	ChEMBL_1289050 (CHEMBL3118308)	Inhibition of His-6-tagged recombinant human CDK1/cyclinB1 expressed in baculovirus-infected sf9 cells by liquid scintillation counting in presence of [gamma-32P]ATP
50043861	1	ChEMBL_1289209 (CHEMBL3119476)	Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis
50043861	2	ChEMBL_1289210 (CHEMBL3119477)	Inhibition of human coagulation factor 10a using S-2765 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis
50043861	3	ChEMBL_1289202 (CHEMBL3119469)	Competitive inhibition of human APC using S-2366 as substrate
50043861	4	ChEMBL_1289199 (CHEMBL3119261)	Competitive inhibition of human coagulation factor 11a using S-2366 as substrate
50043861	5	ChEMBL_1289200 (CHEMBL3119262)	Competitive inhibition of human coagulation factor 10a using S-2765 as substrate
50043861	6	ChEMBL_1289213 (CHEMBL3119480)	Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis
50043862	1	ChEMBL_1289218 (CHEMBL3119485)	Inhibition of Thermus aquaticus taq DNA polymerase by PCR analysis
50043863	1	ChEMBL_1289411 (CHEMBL3116907)	Inhibition of CETP in human whole plasma using [3H]-CE/HDL after 10 mins
50043863	2	ChEMBL_1289410 (CHEMBL3116906)	Inhibition of human recombinant CETP using [3H]-CE/HDL by scintillation proximity assay
50043863	3	ChEMBL_1289243 (CHEMBL3119695)	Inhibition of CYP2D6 (unknown origin)
50043863	4	ChEMBL_1289244 (CHEMBL3119696)	Inhibition of CYP2C19 (unknown origin)
50043863	5	ChEMBL_1289245 (CHEMBL3119697)	Inhibition of CYP2C9 (unknown origin)
50043863	6	ChEMBL_1289246 (CHEMBL3119698)	Inhibition of CYP1A2 (unknown origin)
50043864	1	ChEMBL_1289421 (CHEMBL3116917)	Inhibition of NAMPT in human A2780 cells assessed as reduction in NAD level after 48 hrs by LC-MS/MS analysis
50043864	2	ChEMBL_1289424 (CHEMBL3116920)	Binding affinity to N-terminal His6-tagged/biotinylated C-terminal Avi-tagged human NAMPT (2 to 491) by SPR analysis
50043864	3	ChEMBL_1289425 (CHEMBL3116921)	Inhibition of full length C-terminal His6-tagged human NAMPT expressed in Escherichia coli Rosetta (DE3) cells using PRPP/NAM as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured after 30 mins
50043865	1	ChEMBL_1289435 (CHEMBL3116931)	Inhibition of mTOR (unknown origin) after 40 mins by TR-FRET assay
50043865	2	ChEMBL_1289436 (CHEMBL3116932)	Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate compound preincubated for 15 mins by luciferase-based luminescence assay
50043866	1	ChEMBL_1289443 (CHEMBL3117137)	Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin
50043867	1	ChEMBL_1289463 (CHEMBL3117157)	Inhibition of rat FAAH after 60 mins
50043867	2	ChEMBL_1289464 (CHEMBL3117158)	Inhibition of human FAAH after 60 mins
50043868	1	ChEMBL_1289678 (CHEMBL3118376)	Inhibition of human recombinant DPP8
50043868	2	ChEMBL_1289677 (CHEMBL3118375)	Inhibition of human recombinant DPP9
50043868	3	ChEMBL_1289671 (CHEMBL3118369)	Inhibition of CYP2D6 (unknown origin)
50043869	1	ChEMBL_1289704 (CHEMBL3118588)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins
50043870	1	ChEMBL_1290134 (CHEMBL3117474)	Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay
50043870	2	ChEMBL_1290137 (CHEMBL3117477)	Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay
50043871	1	ChEMBL_1290139 (CHEMBL3117479)	Inhibition of AKT1 (unknown origin) after 30 mins
50043871	2	ChEMBL_1290138 (CHEMBL3117478)	Inhibition of ABL (unknown origin) after 30 mins
50043872	1	ChEMBL_1290371 (CHEMBL3119086)	Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by COLDER assay
50043872	2	ChEMBL_1290370 (CHEMBL3119085)	Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by COLDER assay
50043872	3	ChEMBL_1290377 (CHEMBL3119092)	Inhibition of recombinant wild-type PAD4 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay
50043872	4	ChEMBL_1290378 (CHEMBL3119093)	Inhibition of recombinant wild-type PAD3 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay
50043872	5	ChEMBL_1290379 (CHEMBL3119094)	Inhibition of recombinant wild-type PAD2 (unknown origin) using N-alpha-Benzoyl-L-arginine ethyl ester as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay
50043872	6	ChEMBL_1290380 (CHEMBL3119095)	Inhibition of recombinant wild-type PAD1 (unknown origin) using N-alpha-Benzoyl-L-arginine amide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by COLDER assay
50043873	1	ChEMBL_1290405 (CHEMBL3119314)	Inhibition of CYP2D6 (unknown origin)
50043873	2	ChEMBL_1290407 (CHEMBL3119316)	Inhibition of CYP2C9 (unknown origin)
50043873	3	ChEMBL_1290419 (CHEMBL3119328)	Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay
50043873	4	ChEMBL_1290418 (CHEMBL3119327)	Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay
50043874	1	ChEMBL_1290634 (CHEMBL3116993)	Inhibition of PDGFR-alpha tyrosine kinase (unknown origin) after 30 mins by HTRF method
50043875	1	ChEMBL_1290831 (CHEMBL3118416)	Inhibition of human recombinant N-terminal His6-Smt3-fusion-tagged Usp9x catalytic domain expressed in Escherichia coli using Ub-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay
50043876	1	ChEMBL_1290855 (CHEMBL3118440)	Inhibition of recombinant IKKbeta (unknown origin) using ulight-IkappaomegaBalpha as substrate after 2 hrs by LANCE ultra TR-FRET assay
50043876	2	ChEMBL_1290847 (CHEMBL3118432)	Antagonist activity at Gal4-fused RARalpha (unknown origin) transfected in HEK293 cells assessed as inhibition of ATRA-induced transcriptional activity by luciferase/beta-galactosidase reporter gene assay
50043876	3	ChEMBL_1290846 (CHEMBL3118431)	Inverse agonist activity at RARalpha (unknown origin)
50043877	1	ChEMBL_1291349 (CHEMBL3117557)	Inhibition of FLAG-tagged human recombinant IKKbeta phosphorylation expressed in baculovirus infected insect Sf9 cells after 1 hr by luminescence assay
50043878	1	ChEMBL_1291598 (CHEMBL3118954)	Inhibition of factor 12a (unknown origin)
50043878	2	ChEMBL_1291597 (CHEMBL3118953)	Inhibition of factor 10a (unknown origin)
50043879	1	ChEMBL_1288549 (CHEMBL3118982)	Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as substrate incubated for 10 mins prior to substrate addition measured after 5 mins by spectrophotometry
50043880	1	ChEMBL_1288559 (CHEMBL3118992)	Inhibition of JAK3 (unknown origin)
50043880	2	ChEMBL_1288560 (CHEMBL3118993)	Inhibition of JAK2 (unknown origin)
50043880	3	ChEMBL_1288561 (CHEMBL3118994)	Inhibition of JAK1 (unknown origin)
50043881	1	ChEMBL_1288579 (CHEMBL3119199)	Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake
50043881	2	ChEMBL_1288575 (CHEMBL3119195)	Inhibition of CYP2D6 (unknown origin)
50043881	3	ChEMBL_1288578 (CHEMBL3119198)	Inhibition of CYP2C9 (unknown origin)
50043881	4	ChEMBL_1288577 (CHEMBL3119197)	Inhibition of CYP1A2 (unknown origin)
50043881	5	ChEMBL_1288580 (CHEMBL3119200)	Inhibition of GlyT2 (unknown origin)
50043882	1	ChEMBL_1288598 (CHEMBL3119218)	Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysis
50043883	1	ChEMBL_1288737 (CHEMBL3116514)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50043883	2	ChEMBL_1288738 (CHEMBL3116515)	Inhibition of electric eel acetylcholinesterase using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50043884	1	ChEMBL_1288739 (CHEMBL3116516)	Mixed-type inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate by Dixon plot analysis
50043884	2	ChEMBL_1288743 (CHEMBL3116520)	Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50043885	1	ChEMBL_1288745 (CHEMBL3116522)	Inhibition of recombinant Mycobacterium tuberculosis H37Rv GlgE expressed in Escherichia coli BL21 (DE3) rosetta cells using maltose-1-phosphate as substrate measured every 5 secs for 30 mins by purine nucleoside phosphorylase-coupled assay
50043886	1	ChEMBL_1288772 (CHEMBL3116693)	Inhibition of GlyT2 (unknown origin) assessed as [14C]-glycine transport
50043886	2	ChEMBL_1288773 (CHEMBL3116694)	Inhibition of GlyT1 (unknown origin) assessed as [14C]-glycine transport
50043887	1	ChEMBL_1288931 (CHEMBL3117628)	Agonist activity at mouse PPARdelta expressed in CV-1 cells by reporter gene assay
50043887	2	ChEMBL_1288933 (CHEMBL3117630)	Agonist activity at mouse PPARalpha expressed in CV-1 cells by reporter gene assay
50043887	3	ChEMBL_1288935 (CHEMBL3117632)	Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay
50043887	4	ChEMBL_1288928 (CHEMBL3117625)	Partial agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene assay
50043888	1	ChEMBL_1289255 (CHEMBL3119707)	Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFRKGGCAMLPVK as substrate preincubated for 10 mins followed by ATP addition measured after 15 mins by ELISA
50043888	2	ChEMBL_1289130 (CHEMBL3118805)	Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFRKGGCAMLPVK as substrate in presence of 1000 uM ATP
50043888	3	ChEMBL_1289134 (CHEMBL3119007)	Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporation assay
50043888	4	ChEMBL_1289131 (CHEMBL3118806)	Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFRKGGCAMLPVK as substrate in presence of 100 uM ATP
50043888	5	ChEMBL_1289132 (CHEMBL3119005)	Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFRKGGCAMLPVK as substrate in presence of 10 uM ATP
50043889	1	ChEMBL_1289501 (CHEMBL3117417)	Inhibition of bovine liver DHFR measured for every 1 min of 10 mins
50043890	1	ChEMBL_1292072 (CHEMBL3124369)	Inhibition of iNOS in mouse RAW264.7 cells assessed as LPS-induced nitric oxide production treated for 30 mins followed by LPS challenge measured after 24 hrs by Griess reagent method
50043891	1	ChEMBL_1292242 (CHEMBL3124634)	Binding affinity to STAT1 (unknown origin) by surface plasmon resonance assay
50043892	1	ChEMBL_1292248 (CHEMBL3124640)	Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophotometry
50043893	1	ChEMBL_1292268 (CHEMBL3124699)	Antagonist activity at human GPR18 expressed in CHO cells assessed as inhibition of 10 uM THC-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043893	2	ChEMBL_1292265 (CHEMBL3124696)	Antagonist activity at human GPR55 expressed in CHO cells assessed as inhibition of LPI-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043893	3	ChEMBL_1292267 (CHEMBL3124698)	Inverse agonist activity at human GPR18 expressed in CHO cells assessed as inhibition of 7.5 uM THC-mediated beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay
50043894	1	ChEMBL_1292924 (CHEMBL3122829)	Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by substrate addition measured after 180 mins by luminescence assay
50002459	7	ChEMBL_1764634 (CHEMBL4199881)	Inhibition of recombinant human full length TLL1 using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2) as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins
50043894	2	ChEMBL_1292919 (CHEMBL3122824)	Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured after 45 to 60 mins
50043895	1	ChEMBL_1293805 (CHEMBL3123417)	Inhibition of CYP2C9 in human liver microsomes
50043895	2	ChEMBL_1293806 (CHEMBL3123418)	Inhibition of CYP2D6 in human liver microsomes
50043896	2	ChEMBL_1291902 (CHEMBL3124216)	Inhibition of LRRK2 (unknown origin)
50043896	3	ChEMBL_1291756 (CHEMBL3124047)	Time dependent inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC-MS analysis
50043896	4	ChEMBL_1291757 (CHEMBL3124048)	Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by mass spectrophotometric analysis
50043896	5	ChEMBL_1291900 (CHEMBL3124214)	Inhibition of TTK (unknown origin)
50043897	1	ChEMBL_1291943 (CHEMBL3123846)	Agonist activity at human full-length PXR transfected in human HepG2 cells co-transfected with pSG5-RXR assessed as induction of transactivation by dual-luciferase reporter gene assay
50043898	1	ChEMBL_1292080 (CHEMBL3124377)	Displacement of propidium from electric eel AChE peripheral anionic site assessed as decrease in fluorescence intensity by spectrofluorometric analysis
50043898	2	ChEMBL_1292092 (CHEMBL3124475)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50043899	1	ChEMBL_1292284 (CHEMBL3124715)	Negative allosteric modulation of human mGluR1 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium flux after 16 to 24 hrs by FLIPR assay
50043899	2	ChEMBL_1292138 (CHEMBL3124574)	Inhibition of PDE11 (unknown origin)
50043899	3	ChEMBL_1292286 (CHEMBL3124717)	Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis
50043900	1	ChEMBL_1292838 (CHEMBL3122502)	Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells
50043900	2	ChEMBL_1292841 (CHEMBL3122505)	Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells
50043900	3	ChEMBL_1292839 (CHEMBL3122503)	Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells
50043900	4	ChEMBL_1292840 (CHEMBL3122504)	Displacement of [3H]-dexamethasone from human glucocorticoid receptor expressed in HEK293 cells
50043901	1	ChEMBL_1292848 (CHEMBL3122587)	Inhibition of steroid sulfatase (unknown origin)
50043902	1	ChEMBL_1293002 (CHEMBL3122981)	Non-competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis
50043902	2	ChEMBL_1293003 (CHEMBL3122982)	Competitive inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis
50043902	3	ChEMBL_1293005 (CHEMBL3122984)	Mixed-type inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by Lineweaver-Burk/Dixon plot analysis
50043902	4	ChEMBL_1293004 (CHEMBL3122983)	Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins by indophenol method
50043903	1	ChEMBL_1293155 (CHEMBL3123285)	Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum homogenate after 60 mins by liquid scintillation counting
50043904	1	ChEMBL_1293161 (CHEMBL3123291)	Inhibition of soybean lipoxygenase
50002460	1	ChEMBL_1764671 (CHEMBL4199918)	Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate in presence of NADPH by LC-MS/MS analysis
50043905	2	ChEMBL_1293181 (CHEMBL3123368)	Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellman method
50043906	1	ChEMBL_1293356 (CHEMBL3122299)	Inhibition of 11beta-HSD1 in mouse liver microsomes using cortisone as substrate after 2 hrs by HTRF assay
50043906	2	ChEMBL_1293357 (CHEMBL3122300)	Inhibition of 11beta-HSD1 in human liver microsomes using cortisone as substrate after 2 hrs by HTRF assay
50043907	1	ChEMBL_1293361 (CHEMBL3122304)	Inhibition of Plasmodium falciparum cysteine protease falcipain-3
50043907	2	ChEMBL_1293362 (CHEMBL3122305)	Inhibition of Plasmodium falciparum cysteine protease falcipain-2
50043908	1	ChEMBL_1293531 (CHEMBL3122870)	Inhibition of human recombinant FAAH expressed in Escherichia coli assessed as hydrolysis of [3H]-AEA
50043909	1	ChEMBL_1293783 (CHEMBL3123355)	Displacement of [3H]NAMH from rat histamine H3 receptor transfected in CHO cells
50043909	2	ChEMBL_1293774 (CHEMBL3123346)	Inhibition of CYP1A2 (unknown origin)
50043909	3	ChEMBL_1293772 (CHEMBL3123344)	Inhibition of CYP2C9 (unknown origin)
50043909	4	ChEMBL_1293771 (CHEMBL3123343)	Inhibition of CYP2D6 (unknown origin)
50043909	5	ChEMBL_1293773 (CHEMBL3123345)	Inhibition of CYP2C19 (unknown origin)
50043910	1	ChEMBL_1293852 (CHEMBL3123528)	Inhibition of rat FAAH
50043910	2	ChEMBL_1293851 (CHEMBL3123527)	Inhibition of human FAAH
50043911	1	ChEMBL_1294108 (CHEMBL3122686)	Competitive inhibition of human thymidylate synthase by spectrophotometry
50043911	2	ChEMBL_1294109 (CHEMBL3122687)	Competitive inhibition of human dihydrofolate reductase by spectrophotometry
50043912	1	ChEMBL_1292393 (CHEMBL3123986)	Agonist activity at muscarinic M2 receptor in albino guinea pig left atrium assessed as stimulation of electrically-induced response
50043912	2	ChEMBL_1292392 (CHEMBL3123985)	Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response
50043912	3	ChEMBL_1292388 (CHEMBL3123981)	Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay
50043913	1	ChEMBL_1292552 (CHEMBL3124255)	Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6 mins at 25 degC by spectrophotometry
50043914	1	ChEMBL_1292697 (CHEMBL3123564)	Displacement of biotinylated HIV1 gp120 from DC-SIGN receptor carbohydrate recognition domain (unknown origin) after 2 hrs by solid-phase competitive displacement assay
50043914	2	ChEMBL_1292698 (CHEMBL3123565)	Displacement of [125I]-Man30-BSA from DC-SIGN receptor carbohydrate recognition domain (unknown origin) after 2 hrs by gamma-counting analysis
50043914	3	ChEMBL_1292691 (CHEMBL3123558)	Antagonist activity at DC-SIGN receptor (unknown origin) assessed as inhibition of mannosylated BSA binding by SPR assay
50043915	1	ChEMBL_1292853 (CHEMBL3122592)	Inverse agonist activity at human RORgamma expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50043915	2	ChEMBL_1292854 (CHEMBL3122593)	Inverse agonist activity at human RORbeta expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50043915	3	ChEMBL_1292855 (CHEMBL3122594)	Inverse agonist activity at human RORalpha expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50043916	1	ChEMBL_1293067 (CHEMBL3123111)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3)
50043917	1	ChEMBL_1293200 (CHEMBL3123387)	Inhibition of CYP2C19 (unknown origin)
50043917	2	ChEMBL_1293201 (CHEMBL3123388)	Inhibition of CYP2D6 (unknown origin)
50043917	3	ChEMBL_1293202 (CHEMBL3123389)	Inhibition of CYP2C9 (unknown origin)
50043917	4	ChEMBL_1293203 (CHEMBL3123390)	Inhibition of CYP1A2 (unknown origin)
50043918	1	ChEMBL_1293418 (CHEMBL3122517)	Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50043918	2	ChEMBL_1293417 (CHEMBL3122516)	Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis
50043918	3	ChEMBL_1293419 (CHEMBL3122518)	Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 10 uM in DMPC liposomes by surface plasmon resonance analysis
50043918	4	ChEMBL_1293421 (CHEMBL3122520)	Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 60 uM by surface plasmon resonance analysis
50043918	5	ChEMBL_1293420 (CHEMBL3122519)	Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) at 16 uM by surface plasmon resonance analysis
50043919	1	ChEMBL_1294290 (CHEMBL3128967)	Competitive inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins
50043919	2	ChEMBL_1294294 (CHEMBL3128971)	Inhibition of N-terminal GST-tagged recombinant human Histone-lysine N-methyltransferase G9a using S-(5'-adenosyl)-L-methionine chloride as substrate after 30 mins
50043919	3	ChEMBL_1294296 (CHEMBL3128973)	Inhibition of mouse Histone-lysine N-methyltransferase G9a
50043919	4	ChEMBL_1294297 (CHEMBL3128974)	Inhibition of human Histone-lysine N-methyltransferase SUV39H1
50043919	5	ChEMBL_1294298 (CHEMBL3128975)	Inhibition of Drosophila melanogaster Histone-lysine N-methyltransferase Su(var)3-9
50043920	1	ChEMBL_1295491 (CHEMBL3131489)	Agonist activity at dopamine D2 receptor (unknown origin)
50043921	1	ChEMBL_1295494 (CHEMBL3131492)	Inhibition of Electric eel AChE assessed as amount of thiocholine released using acetylthiocholine iodide as substrate after 6 mins by Ellman's method
50043922	1	ChEMBL_1295495 (CHEMBL3131493)	Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substrate preincubated for 10 mins before substrate addition measured after 10 mins by HPLC analysis
50043923	1	ChEMBL_1295529 (CHEMBL3131721)	Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043923	2	ChEMBL_1295530 (CHEMBL3131722)	Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043923	3	ChEMBL_1295531 (CHEMBL3131723)	Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043923	4	ChEMBL_1295532 (CHEMBL3131724)	Inhibition of CYP1A2 in human liver microsomes after 10 mins by LC/MS/MS analysis
50043924	1	ChEMBL_1296027 (CHEMBL3131077)	Inhibition of JAK3 (unknown origin) after 20 mins
50043924	2	ChEMBL_1296028 (CHEMBL3131078)	Inhibition of JAK2 (unknown origin) after 20 mins
50043924	3	ChEMBL_1296026 (CHEMBL3131076)	Inhibition of TYK1 (unknown origin) after 20 mins
50043925	1	ChEMBL_1296269 (CHEMBL3132597)	Inhibition of C-terminal FLAG-tagged MEKK1 (unknown origin) expressed in baculovirus system using MBP as substrate after 60 mins
50043925	2	ChEMBL_1296274 (CHEMBL3132602)	Inhibition of N-terminal His-6-tagged Aurora kinase B (unknown origin) expressed in baculovirus system after 60 mins
50043925	3	ChEMBL_1296275 (CHEMBL3132603)	Inhibition of CDK2/CycA (unknown origin) using histone H1 as substrate after 20 mins
50043925	4	ChEMBL_1296276 (CHEMBL3132604)	Inhibition of CDK1/CycB (unknown origin) using histone H1 as substrate after 20 mins
50043925	5	ChEMBL_1296277 (CHEMBL3132605)	Inhibition of C-terminal FLAG-tagged ERK1 expressed in baculovirus system (unknown origin) using MBP as substrate after 60 mins
50043925	6	ChEMBL_1296278 (CHEMBL3132606)	Inhibition of CK1delta (unknown origin) using CK1tide as substrate after 20 mins
50043925	7	ChEMBL_1296279 (CHEMBL3132607)	Inhibition of CHK1 (unknown origin) using alpha-casein as substrate after 20 mins
50043925	8	ChEMBL_1296282 (CHEMBL3132610)	Inhibition of C-terminal FLAG-tagged IKK beta (unknown origin) expressed in baculovirus system using IkappaBalpha as substrate after 40 mins
50043925	9	ChEMBL_1296283 (CHEMBL3132611)	Inhibition of Insulin receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs
50043925	10	ChEMBL_1296286 (CHEMBL3132614)	Inhibition of c-Met receptor (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs
50043925	11	ChEMBL_1296289 (CHEMBL3132617)	Inhibition of N-terminal peptide (DYKDDDD)-tagged EGFR (unknown origin) expressed in baculovirus system using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs by scintillation counting
50043925	12	ChEMBL_1296290 (CHEMBL3132618)	Inhibition of PDGFR beta (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs
50043925	13	ChEMBL_1296291 (CHEMBL3132619)	Inhibition of PDGFR alpha (unknown origin) using biotinylated poly-Glu-Tyr (4:1) as substrate preincubated for 5 mins measured after 12 hrs
50043925	14	ChEMBL_1296295 (CHEMBL3129554)	Inhibition of N-terminal FLAG-tagged wild type BRAF (unknown origin) expressed in baculovirus system using GST-MEK1(K96R) as substrate after 20 mins
50043926	1	ChEMBL_1297282 (CHEMBL3132068)	Binding affinity to 5HT4 receptor in pig striatal membranes
50043926	2	ChEMBL_1297283 (CHEMBL3132069)	Binding affinity to 5HT4 receptor in guinea pig distal colon
50043927	1	ChEMBL_1297287 (CHEMBL3132073)	Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay
50043928	1	ChEMBL_1297821 (CHEMBL3131647)	Agonist activity at human recombinant TRbeta1 transfected in human HepG2 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay
50043928	2	ChEMBL_1297822 (CHEMBL3131648)	Agonist activity at human recombinant TRbeta1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay
50043928	3	ChEMBL_1297823 (CHEMBL3131649)	Agonist activity at human recombinant TRalpha1 transfected in CV-1 cells after 8 to 10 hrs by alkaline phosphatase reporter gene assay
50043928	4	ChEMBL_1297825 (CHEMBL3131651)	Displacement of [125I]-Triiodothyronine from human recombinant TRbeta1 ligand binding domain after 2 to 3 hrs by beta counting
50043928	5	ChEMBL_1297826 (CHEMBL3131652)	Displacement of [125I]-Triiodothyronine from human recombinant TRalpha1 ligand binding domain after 2 to 3 hrs by beta counting
50043929	1	ChEMBL_1297868 (CHEMBL3131893)	Inhibition of human CYP2D6 expressed in Escherichia coli
50043929	2	ChEMBL_1297870 (CHEMBL3131895)	Inhibition of human CYP2C19 expressed in Escherichia coli
50043929	3	ChEMBL_1297871 (CHEMBL3131896)	Inhibition of human CYP1A2 expressed in Escherichia coli
50043929	4	ChEMBL_1297869 (CHEMBL3131894)	Inhibition of human CYP2C9 expressed in Escherichia coli
50043930	1	ChEMBL_1298137 (CHEMBL3129874)	Competitive inhibition of recombinant furin (unknown origin) using as substrate after 60 mins
50043931	1	ChEMBL_1298182 (CHEMBL3130053)	Inhibition of DNA polymerase-gamma (unknown origin) assessed as incorporation of Br(d)UTP by colorimetric analysis
50043932	1	ChEMBL_1294378 (CHEMBL3129163)	Inhibition of human GLP (734 to 1235) using histone as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by liquid scintillation counting analysis in presence of [methyl-3H]-AdoMet
50043932	2	ChEMBL_1294380 (CHEMBL3129165)	Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liquid scintillation counting analysis in presence of [methyl-3H]-AdoMet
50043932	3	ChEMBL_1294383 (CHEMBL3129168)	Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet
50043932	4	ChEMBL_1294384 (CHEMBL3129169)	Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by liquid scintillation counting analysis in presence of [methyl-3H]-AdoMet
50043932	5	ChEMBL_1294385 (CHEMBL3129170)	Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet
50043933	1	ChEMBL_1294677 (CHEMBL3128674)	Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH
50043933	2	ChEMBL_1294678 (CHEMBL3128675)	Inhibition of CYP1A2 in human liver microsomes after 30 mins in presence of NADPH
50043933	3	ChEMBL_1294650 (CHEMBL3128606)	Inhibition of CYP2D6 (unknown origin)
50043933	4	ChEMBL_1294649 (CHEMBL3128605)	Inhibition of CYP2C9 (unknown origin)
50043933	5	ChEMBL_1294651 (CHEMBL3128607)	Inhibition of CYP2C19 (unknown origin)
50043933	6	ChEMBL_1294652 (CHEMBL3128608)	Inhibition of CYP1A2 (unknown origin)
50043933	7	ChEMBL_1294675 (CHEMBL3128631)	Inhibition of CYP2D6 in human liver microsomes after 30 mins in presence of NADPH
50043933	8	ChEMBL_1294676 (CHEMBL3128673)	Inhibition of CYP2C19 in human liver microsomes after 30 mins in presence of NADPH
50043933	9	ChEMBL_1294702 (CHEMBL3128699)	Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assay
50043934	1	ChEMBL_1295588 (CHEMBL3131974)	Inhibition of human spleen cathepsin D measured for 1 hr by FRET assay
50043934	2	ChEMBL_1295589 (CHEMBL3131975)	Inhibition of human liver cathepsin D measured for 1 hr by FRET assay
50043935	1	ChEMBL_1296098 (CHEMBL3131527)	Inhibition of GKRP-GK interaction in rat primary hepatocytes assessed as translocation of GK from nucleus to cytoplasm preincubated for 20 mins followed by glucose addition measured after 40 mins by fluorescence assay
50043935	2	ChEMBL_1296096 (CHEMBL3131525)	Activation of human glucokinase
50043935	3	ChEMBL_1296097 (CHEMBL3131526)	Binding affinity to GKRP (unknown origin) by surface plasmon resonance analysis
50043935	4	ChEMBL_1296099 (CHEMBL3131528)	Inhibition of biotin-tagged human GKRP-fluorescein-tagged human GK interaction preincubated for 20 mins followed by fluorescein-tagged human GK addition measured after 2 to 4 hrs by AlphaScreen assay
50043936	1	ChEMBL_1296330 (CHEMBL3129589)	Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043936	2	ChEMBL_1296332 (CHEMBL3129742)	Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043936	3	ChEMBL_1296306 (CHEMBL3129565)	Irreversible inhibition of human factor 11a
50043936	4	ChEMBL_1296312 (CHEMBL3129571)	Binding affinity to New Zealand White rabbit factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043936	5	ChEMBL_1296325 (CHEMBL3129584)	Binding affinity to human tPA assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043936	6	ChEMBL_1296326 (CHEMBL3129585)	Binding affinity to human plasmin assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043936	7	ChEMBL_1296328 (CHEMBL3129587)	Binding affinity to human activated protein C assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis
50043937	1	ChEMBL_1296347 (CHEMBL3129757)	Reversible inhibition of CYP2C9 in human liver microsomes using (S)- warfarin as substrate by LC-MS/MS analysis
50043937	2	ChEMBL_1296350 (CHEMBL3129760)	Reversible inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate by LC-MS/MS analysis
50043937	3	ChEMBL_1296349 (CHEMBL3129759)	Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50043937	4	ChEMBL_1296351 (CHEMBL3129761)	Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50043937	5	ChEMBL_1296519 (CHEMBL3130658)	Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins in presence of PRPP
50043937	6	ChEMBL_1296518 (CHEMBL3130657)	Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis
50043938	1	ChEMBL_1296562 (CHEMBL3130897)	Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis
50043938	2	ChEMBL_1296563 (CHEMBL3130898)	Inhibition of SCD1 in Sprague-Dawley rat liver microsomes using stearoyl-[9,10-3H]-CoA as substrate
50043939	1	ChEMBL_1297319 (CHEMBL3132284)	Inhibition of human His-tagged recombinant DNA polymerase mu expressed in Escherichia coli BL21 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	2	ChEMBL_1297298 (CHEMBL3132084)	Noncompetitive inhibition of recombinant rat DNA polymerase beta using dTTP as substrate by Lineweaver-Burk plot analysis
50043939	3	ChEMBL_1297299 (CHEMBL3132085)	Competitive inhibition of recombinant rat DNA polymerase beta using poly(dA)/oligo(dT)18 as substrate by Lineweaver-Burk plot analysis
50043939	4	ChEMBL_1297300 (CHEMBL3132086)	Inhibition of mouse DNA polymerase lambda assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	5	ChEMBL_1297301 (CHEMBL3132087)	Inhibition of bovine deoxyribonuclease 1 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	6	ChEMBL_1297302 (CHEMBL3132088)	Inhibition of T4 bacteriophage polynucleotide kinase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	7	ChEMBL_1297303 (CHEMBL3132089)	Inhibition of mouse IMP dehydrogenase 2 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	8	ChEMBL_1297304 (CHEMBL3132090)	Inhibition of T7 RNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	9	ChEMBL_1297307 (CHEMBL3132272)	Inhibition of T4 bacteriophage DNA polymerase assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	10	ChEMBL_1297313 (CHEMBL3132278)	Inhibition of fruit fly DNA polymerase delta assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	11	ChEMBL_1297314 (CHEMBL3132279)	Inhibition of fruit fly DNA polymerase alpha assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	12	ChEMBL_1297316 (CHEMBL3132281)	Inhibition of C-terminal His-6-tagged human DNA polymerase kappa expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	13	ChEMBL_1297317 (CHEMBL3132282)	Inhibition of C-terminal His-6-tagged human DNA polymerase eta expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	14	ChEMBL_1297318 (CHEMBL3132283)	Inhibition of calf thymus TdT assessed as inhibition of incorporation of dTTP into oligo(dT)18(3'OH) after 60 mins
50043939	15	ChEMBL_1297321 (CHEMBL3132286)	Inhibition of recombinant rat DNA polymerase beta expressed in Escherichia coli JMpbeta5 assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043939	16	ChEMBL_1297320 (CHEMBL3132285)	Inhibition of human recombinant His-tagged DNA polymerase lambda expressed in Escherichia coli assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins
50043940	1	ChEMBL_1297897 (CHEMBL3132110)	Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis
50043940	2	ChEMBL_1297892 (CHEMBL3132105)	Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF assay
50043940	3	ChEMBL_1297893 (CHEMBL3132106)	Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF assay
50043940	4	ChEMBL_1297583 (CHEMBL3130369)	Inhibition of sEH (unknown origin)
50043940	5	ChEMBL_1297614 (CHEMBL3130518)	Inhibition of rat 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF assay
50043941	1	ChEMBL_1297943 (CHEMBL3132328)	Inhibition of CYP2D6 (unknown origin)
50043941	2	ChEMBL_1297944 (CHEMBL3132329)	Inhibition of CYP2C9 (unknown origin)
50043941	3	ChEMBL_1297945 (CHEMBL3132330)	Inhibition of CYP2C8 (unknown origin)
50043941	4	ChEMBL_1297946 (CHEMBL3132331)	Inhibition of CYP2C19 (unknown origin)
50043941	5	ChEMBL_1298187 (CHEMBL3130058)	Inhibition of CYP1A2 (unknown origin)
50043942	1	ChEMBL_1298220 (CHEMBL3130225)	Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH
50043942	2	ChEMBL_1298221 (CHEMBL3130226)	Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH
50043943	1	ChEMBL_1298240 (CHEMBL3130381)	Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-electrode voltage clamp electrophysiological analysis
50043943	2	ChEMBL_1298238 (CHEMBL3130379)	Agonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as stimulation of acetylcholine-induced current by two-electrode voltage clamp electrophysiological analysis
50043944	1	ChEMBL_1298505 (CHEMBL3131925)	Binding affinity to N-terminal His-6-tagged recombinant human PAK1 using peptide substrate
50043944	2	ChEMBL_1298506 (CHEMBL3131926)	Binding affinity to N-terminal His-6-tagged recombinant human PAK4 using peptide substrate
50043944	3	ChEMBL_1294410 (CHEMBL3129195)	Binding affinity to N-terminal GST-tagged recombinant human PAK4 kinase domain expressed in Escherichia coli using KKRNRRLSVA as substrate preincubated for 10 mins followed by ATP addition measured after 60 mins by FRET-based Z'Lyte assay
50043944	4	ChEMBL_1294406 (CHEMBL3129191)	Inhibition of PAK3 (unknown origin)
50043944	5	ChEMBL_1294409 (CHEMBL3129194)	Binding affinity to N-terminal GST-His-tagged recombinant human PAK1 kinase domain expressed in Escherichia coli BL21 using KKRNRRLSVA as sustrate preincubated for 10 mins followed by ATP addition measured after 60 mins by FRET-based Z'Lyte assay
50043944	6	ChEMBL_1294404 (CHEMBL3129189)	Inhibition of PAK6 (unknown origin)
50043944	7	ChEMBL_1294403 (CHEMBL3129188)	Inhibition of PAK5 (unknown origin)
50043944	8	ChEMBL_1294402 (CHEMBL3129187)	Inhibition of PAK4 (unknown origin)
50043944	9	ChEMBL_1294405 (CHEMBL3129190)	Inhibition of PAK2 (unknown origin)
50043944	10	ChEMBL_1294407 (CHEMBL3129192)	Inhibition of PAK1 (unknown origin)
50043945	1	ChEMBL_1294716 (CHEMBL3128713)	Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA
50043945	2	ChEMBL_1294426 (CHEMBL3129252)	Inhibition of NTRK3 (unknown origin) using Km levels of ATP
50043945	3	ChEMBL_1294427 (CHEMBL3129253)	Inhibition of NTRK1 (unknown origin) using Km levels of ATP
50043945	4	ChEMBL_1294428 (CHEMBL3129254)	Inhibition of PTK2 (unknown origin) using Km levels of ATP
50043945	5	ChEMBL_1294429 (CHEMBL3129255)	Inhibition of TNK2 (unknown origin) using Km levels of ATP
50043945	6	ChEMBL_1294430 (CHEMBL3129256)	Inhibition of PTK2B (unknown origin) using Km levels of ATP
50043945	7	ChEMBL_1294431 (CHEMBL3129257)	Inhibition of JAK2 (unknown origin) using Km levels of ATP
50043945	8	ChEMBL_1294432 (CHEMBL3129258)	Inhibition of FES (unknown origin) using Km levels of ATP
50043945	9	ChEMBL_1294433 (CHEMBL3129259)	Inhibition of NTRK2 (unknown origin) using Km levels of ATP
50043945	10	ChEMBL_1294434 (CHEMBL3129260)	Inhibition of LTK (unknown origin) using Km levels of ATP
50043945	11	ChEMBL_1294435 (CHEMBL3129261)	Inhibition of FER (unknown origin) using Km levels of ATP
50043945	12	ChEMBL_1294436 (CHEMBL3129262)	Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay
50043946	1	ChEMBL_1294758 (CHEMBL3128845)	Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by time-resolved fluorescence assay
50043946	2	ChEMBL_1294756 (CHEMBL3128810)	Agonist activity at rhesus monkey beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by time-resolved fluorescence assay
50043946	3	ChEMBL_1295001 (CHEMBL3129312)	Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation
50043946	4	ChEMBL_1295002 (CHEMBL3129313)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac alpha'-hydroxylation
50043947	1	ChEMBL_1295309 (CHEMBL3128576)	Competitive inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysis
50043947	2	ChEMBL_1295310 (CHEMBL3128577)	Inhibition of human ALDH3A1 using benzaldehyde as substrate by Lineweaver-Burk plot analysis
50043947	3	ChEMBL_1295311 (CHEMBL3128578)	Inhibition of human ALDH2 using propionaldehyde as substrate by Lineweaver-Burk plot analysis
50043947	4	ChEMBL_1295312 (CHEMBL3128579)	Competitive inhibition of human ALDH1A1 using propionaldehyde as substrate by Lineweaver-Burk plot analysis
50043947	5	ChEMBL_1295313 (CHEMBL3128580)	Noncompetitive/mixed type inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+
50043947	6	ChEMBL_1295314 (CHEMBL3128581)	Inhibition of human ALDH3A1 by Lineweaver-Burk plot analysis in presence of NADP+
50043947	7	ChEMBL_1295315 (CHEMBL3128582)	Inhibition of human ALDH2 by Lineweaver-Burk plot analysis in presence of NAD+
50043947	8	ChEMBL_1295318 (CHEMBL3130566)	Noncompetitive/mixed type inhibition of human ALDH1A1 by Lineweaver-Burk plot analysis in presence of NAD+
50043947	9	ChEMBL_1295316 (CHEMBL3130564)	Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence of NADP+
50043947	10	ChEMBL_1295317 (CHEMBL3130565)	Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence of NAD+
50043947	11	ChEMBL_1295319 (CHEMBL3130567)	Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence of NAD+
50043948	1	ChEMBL_1295327 (CHEMBL3130575)	Inhibition of recombinant human RET incubated for 5 mins with substrate prior to protein addition by fluorescence assay
50043949	1	ChEMBL_1295339 (CHEMBL3130587)	Inhibition of recombinant rat nNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60 secs by hemoglobin capture assay
50043949	2	ChEMBL_1295337 (CHEMBL3130585)	Inhibition of recombinant bovine eNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60 secs by hemoglobin capture assay
50043949	3	ChEMBL_1295338 (CHEMBL3130586)	Inhibition of recombinant mouse iNOS overexpressed in Escherichia coli using L-arginine as substrate assessed as nitric oxide formation measured for 60 secs by hemoglobin capture assay
50043950	1	ChEMBL_1296166 (CHEMBL3132000)	Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluorimetric analysis
50043950	2	ChEMBL_1296147 (CHEMBL3131781)	Inhibition of human CYP2D6 by fluorescence assay
50043950	3	ChEMBL_1296148 (CHEMBL3131782)	Inhibition of human CYP2C19 by fluorescence assay
50043950	4	ChEMBL_1296149 (CHEMBL3131783)	Inhibition of human CYP2C9 by fluorescence assay
50043950	5	ChEMBL_1296150 (CHEMBL3131984)	Inhibition of human CYP1A2 by fluorescence assay
50043951	1	ChEMBL_1296380 (CHEMBL3129927)	Competitive inhibition of mouse brain membrane ABHD6 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence scanning
50043951	2	ChEMBL_1296365 (CHEMBL3129775)	Competitive inhibition of mouse brain membrane MAGL preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence scanning
50043951	3	ChEMBL_1296364 (CHEMBL3129774)	Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence scanning
50043951	4	ChEMBL_1296363 (CHEMBL3129773)	Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence scanning
50043951	5	ChEMBL_1296362 (CHEMBL3129772)	Competitive inhibition of mouse FAAH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence scanning
50043951	6	ChEMBL_1296376 (CHEMBL3129923)	Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 6 hrs by Dixon plot analysis
50043951	7	ChEMBL_1296377 (CHEMBL3129924)	Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 3 hrs by Dixon plot analysis
50043951	8	ChEMBL_1296378 (CHEMBL3129925)	Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 1 hr by Dixon plot analysis
50043951	9	ChEMBL_1296379 (CHEMBL3129926)	Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide by Dixon plot analysis
50043953	1	ChEMBL_1296576 (CHEMBL3131096)	Inhibition of binding of wild type mBIMBH3 peptide to mouse adenosine A1 receptor by surface plasmon resonance competition experiment
50043954	1	ChEMBL_1296786 (CHEMBL3132469)	Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% human serum
50043954	2	ChEMBL_1296787 (CHEMBL3132470)	Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay
50043954	3	ChEMBL_1296789 (CHEMBL3132472)	Binding affinity to human MDM2 by by Surface Plasmon Resonace (SPR) spectroscopy binding assay
50043955	1	ChEMBL_1297371 (CHEMBL3132511)	Inhibition of aurora B (unknown origin)
50043955	2	ChEMBL_1297372 (CHEMBL3132512)	Inhibition of CDK2 (unknown origin)
50043955	3	ChEMBL_1297370 (CHEMBL3132510)	Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C
50043955	4	ChEMBL_1297373 (CHEMBL3132513)	Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay
50043955	5	ChEMBL_1297374 (CHEMBL3132514)	Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay
50043956	1	ChEMBL_1297665 (CHEMBL3130959)	Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins
50043957	1	ChEMBL_1297969 (CHEMBL3132531)	Partial agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50043957	2	ChEMBL_1297973 (CHEMBL3132535)	Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
50043958	1	ChEMBL_1298290 (CHEMBL3130555)	Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay
50043958	2	ChEMBL_1298288 (CHEMBL3130553)	Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay
50043958	3	ChEMBL_1298289 (CHEMBL3130554)	Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay
50043959	1	ChEMBL_1298297 (CHEMBL3130562)	Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by direct ITC analysis
50043959	2	ChEMBL_1298296 (CHEMBL3130561)	Binding affinity to Escherichia coli J96 wild type FimH lectin domain expressed in Escherichia coli C43 (DE3) by reverse ITC analysis
50002460	2	ChEMBL_1764685 (CHEMBL4199932)	Inhibition of wild-type IDH1 (unknown origin) assessed as NADPH production using isocitrate as substrate by fluorescence assay
50002460	3	ChEMBL_1764672 (CHEMBL4199919)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HCT116 cells assessed as reduction in 2-HG levels after 48 hrs by LC-MS/MS analysis
50043960	7	ChEMBL_1294792 (CHEMBL3128879)	Inhibition of Stat3 phosphorylation in human MDA-MB-468 cells by Western blotting analysis in hypoxia condition
50043961	1	ChEMBL_1295091 (CHEMBL3129466)	Antagonist activity at smoothened (unknown origin) expressed in mouse Shh Light2 cells co-expressing Gli-dependent reporter gene assessed as inhibition of Hh signaling by dual luciferase reporter gene assay
50043961	2	ChEMBL_1295089 (CHEMBL3129464)	Inhibition of smoothened (unknown origin)-mediated Shh signaling
50043962	1	ChEMBL_1295697 (CHEMBL3132584)	Competitive binding affinity to mineralocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence polarization assay in presence of tetramethylrhodamine-labeled dexamethasone
50043962	2	ChEMBL_1295698 (CHEMBL3132585)	Competitive binding affinity to progesterone receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence polarization assay in presence of tetramethylrhodamine-labeled RU-486
50043962	3	ChEMBL_1295699 (CHEMBL3129511)	Competitive binding affinity to glucocorticoid receptor (unknown origin) expressed in baculovirus-infected cell system after 1 hr by fluorescence polarization assay in presence of tetramethylrhodamine-labeled dexamethasone
50043962	4	ChEMBL_1295696 (CHEMBL3132583)	Transrepression activity at glucocorticoid receptor in human fibroblasts assessed as inhibition of IL-1-induced IL-6 production after 18 to 24 hrs
50043963	1	ChEMBL_1296837 (CHEMBL3132662)	Antagonist activity at human NK1 receptor
50043964	1	ChEMBL_1296859 (CHEMBL3129609)	Competitive reversible inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry
50043964	2	ChEMBL_1296860 (CHEMBL3129610)	Competitive inhibition of bovine xanthine oxidase
50043964	3	ChEMBL_1296862 (CHEMBL3129612)	Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry
50043964	4	ChEMBL_1296863 (CHEMBL3129613)	Inhibition of bovine xanthine oxidase
50043964	5	ChEMBL_1296858 (CHEMBL3129608)	Reversible inhibition of bovine xanthine oxidase
50043964	6	ChEMBL_1296864 (CHEMBL3129614)	Inhibition of rat xanthine oxidase
50043965	1	ChEMBL_1297111 (CHEMBL3131127)	Inhibition of CYP2D6 (unknown origin)
50043965	2	ChEMBL_1297110 (CHEMBL3131126)	Inhibition of CYP2C19 (unknown origin)
50043965	3	ChEMBL_1297112 (CHEMBL3131128)	Inhibition of CYP2C9 (unknown origin)
50043965	4	ChEMBL_1297113 (CHEMBL3131129)	Inhibition of CYP1A2 (unknown origin)
50043966	1	ChEMBL_1297160 (CHEMBL3131349)	Inhibition of AKT1 (unknown origin) using ATP/eNOS as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorescence polarization assay
50043967	1	ChEMBL_1297454 (CHEMBL3129814)	Inhibition of recombinant TDP1 (unknown origin) using N14Y as substrate after 15 mins by PAGE analysis
50043968	1	ChEMBL_1297731 (CHEMBL3131191)	Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coupled assay
50043968	2	ChEMBL_1297732 (CHEMBL3131192)	Inhibition of FBPase (unknown origin)
50043969	1	ChEMBL_1297733 (CHEMBL3131193)	Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50043969	2	ChEMBL_1297734 (CHEMBL3131194)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate by scintillation counting in presence of [gamma-33P]ATP
50043969	3	ChEMBL_1297737 (CHEMBL3131197)	inhibition of human recombinant CDK5/p25 using histone H1 as substrate by scintillation counting in presence of [gamma-33P]ATP
50043970	1	ChEMBL_1298067 (CHEMBL3129498)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 25 mins by Ellman's method
50043970	2	ChEMBL_1298301 (CHEMBL3130754)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50043971	1	ChEMBL_1294186 (CHEMBL3128754)	Inhibition of recombinant his6-tagged DPP9 (unknown origin) expressed in baculovirus expression system using Ala-pro-AMC as substrate by fluorometric analysis
50043971	2	ChEMBL_1294187 (CHEMBL3128755)	Inhibition of recombinant his6-tagged DPP8 (unknown origin) expressed in baculovirus expression system using Ala-pro-AMC as substrate by fluorometric analysis
50043972	1	ChEMBL_1294521 (CHEMBL3129429)	Inhibition of 20s immunoproteasome beta 1 subunit caspase-like activity in human blood monocytes using Z-LLE-betaNA as substrate at 2 uM preincubated for 2 mins followed by substrate addition by fluorescence assay
50043972	2	ChEMBL_1294231 (CHEMBL3128835)	Inhibition of 20s proteasome beta 1 subunit caspase-like activity in human HeLa cells using Z-nLPnLD as substrate after 17 hrs by chemiluminescence assay
50043972	3	ChEMBL_1294233 (CHEMBL3128837)	Inhibition of 20s immunoproteasome beta 2 subunit trypsin-like activity in human blood monocytes using Boc-LRR-AMC as substrate preincubated for 2 mins followed by substrate addition by fluorescence assay
50043973	1	ChEMBL_1295137 (CHEMBL3128638)	Inhibition of SGLT2 (unknown origin) expressed in HEK293 cells using 2-NBDG as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by nonradioactive fluorescence glucose uptake assay
50043973	2	ChEMBL_1295138 (CHEMBL3128639)	Inhibition of human SGLT2
50043973	3	ChEMBL_1295136 (CHEMBL3128637)	Inhibition of SGLT1 (unknown origin) expressed in HEK293 cells using 2-NBDG as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by nonradioactive fluorescence glucose uptake assay
50043974	1	ChEMBL_1295162 (CHEMBL3128663)	Partial agonist activity at human CRTH2 receptor expressed in HEK cells assessed as forskolin-induced cAMP formation preincubated for 10 mins followed by forskolin challenge measured after 10 to 60 mins by ELISA assay
50043974	2	ChEMBL_1295165 (CHEMBL3128666)	Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins followed by PGD2 challenge measured after 60 mins by chemiluminescence assay
50043974	3	ChEMBL_1295164 (CHEMBL3128665)	Antagonist activity at human CRTH2 receptor expressed in HEK cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 10 mins followed by forskolin challenge measured after 10 to 60 mins by ELISA assay
50043974	4	ChEMBL_1295139 (CHEMBL3128640)	Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophil shape change preincubated for 10 mins followed by DK-PGD2 challenge measured after 40 mins by FACS flow cytometric analysis
50043975	1	ChEMBL_1295179 (CHEMBL3128725)	Inhibition of electric eel AChE
50043975	2	ChEMBL_1295176 (CHEMBL3128722)	Inhibition of human leukocyte elastase
50043976	1	ChEMBL_1295409 (CHEMBL3131046)	Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis
50043977	1	ChEMBL_1295719 (CHEMBL3129531)	Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473
50043977	2	ChEMBL_1295720 (CHEMBL3129532)	Inhibition of human PI3Kgamma after 15 mins
50043977	3	ChEMBL_1295721 (CHEMBL3129533)	Inhibition of human PI3Kdelta after 15 mins
50043977	4	ChEMBL_1295722 (CHEMBL3129534)	Inhibition of human PI3Kbeta after 15 mins
50043977	5	ChEMBL_1295723 (CHEMBL3129535)	Inhibition of human PI3Kalpha after 15 mins
50043978	1	ChEMBL_1296420 (CHEMBL3130121)	Inhibition of human aurora A kinase using LRRASLG as substrate by scintillation counting in presence of [gamma-33P]ATP
50043979	1	ChEMBL_1296446 (CHEMBL3130286)	Inhibition of JAK2 (unknown origin) by radiometric assay
50043979	2	ChEMBL_1296447 (CHEMBL3130287)	Inhibition of ZAP70 (unknown origin) by radiometric assay
50043979	3	ChEMBL_1296448 (CHEMBL3130288)	Inhibition of Syk (unknown origin) by radiometric assay
50043979	4	ChEMBL_1296444 (CHEMBL3130284)	Inhibition of c-MET (unknown origin) by radiometric assay
50043979	5	ChEMBL_1296445 (CHEMBL3130285)	Inhibition of FAK (unknown origin) by radiometric assay
50043980	1	ChEMBL_1296657 (CHEMBL3131566)	Displacement of [125I]PYY from human NPY5 receptor transfected in LM(tk-) cell membranes after 120 mins by solid scintillation counting
50043981	1	ChEMBL_1296927 (CHEMBL3129965)	Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)
50043982	1	ChEMBL_1297179 (CHEMBL3131368)	Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins by fluorescence polarization Assay
50043983	1	ChEMBL_1297187 (CHEMBL3131376)	Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay
50043984	1	ChEMBL_1297748 (CHEMBL3131380)	Activation of glucokinase (unknown origin) using glucose as substrate
50043985	1	ChEMBL_1298077 (CHEMBL3129508)	Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay
50043986	1	ChEMBL_1298094 (CHEMBL3129680)	Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50043986	2	ChEMBL_1298087 (CHEMBL3129673)	Mixed-type inhibition of electric eel AchE using acetylthiocholine as substrate after 15 mins by Lineweaver-Burk plot analysis
50043987	1	ChEMBL_1298383 (CHEMBL3131222)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50043987	2	ChEMBL_1298382 (CHEMBL3131221)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50043988	1	ChEMBL_1294272 (CHEMBL3128914)	Agonist activity at human PreP assessed as degradation of fluorogenic substrate V measured for 10 mins by fluorometric analysis
50043988	2	ChEMBL_1294273 (CHEMBL3128915)	Agonist activity at human PreP assessed as degradation of ATP synthase pF1beta subunit (2 to 56) after 2.5 hrs by Immunoblotting assay
50043988	3	ChEMBL_1294277 (CHEMBL3128954)	Agonist activity at human PreP assessed as degradation of biotin-labeled amyloid beta (1 to 42) after 2.5 hrs by Immunoblotting assay
50001712	20	ChEMBL_1733849 (CHEMBL4149385)	Inhibition of HIF-PHD1 (unknown origin) expressed in insect Hi5 cells using peptide as substrate
50001712	21	ChEMBL_1733852 (CHEMBL4149388)	Inhibition of HIF-PHD2 (unknown origin) by fluorescence polarization assay
50001714	1	ChEMBL_1733958 (CHEMBL4149494)	Inhibition of human Keap1 kelch domain (321 to 609 residues) binding to TAMRA-labeled Nrf2-ETGE peptide after 1 hr by fluorescence polarization assay
50001714	2	ChEMBL_1733952 (CHEMBL4149488)	Inhibition of human Keap1 kelch domain binding to Nrf2-ETGE peptide by ITC assay
50001714	3	ChEMBL_1733956 (CHEMBL4149492)	Inhibition of full length Flag/His-tagged Keap1 kelch domain (unknown origin)/full length Avi-tagged Nrf2 (unknown origin) interaction after 2.25 hrs by TR-FRET assay
50001714	4	ChEMBL_1733950 (CHEMBL4149486)	Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assay
50001714	5	ChEMBL_1733953 (CHEMBL4149489)	Binding affinity to recombinant human Keap1 by SPR assay
50001714	6	ChEMBL_1733951 (CHEMBL4149487)	Inhibition of human Keap1 kelch domain binding to Nrf2-ETGE peptide preincubated for 15 mins followed by peptide addition measured after 30 mins by fluorescence polarization assay
50001714	7	ChEMBL_1733957 (CHEMBL4149493)	Inhibition of Keap1/NRF2 interaction in human BEAS-2B cells assessed as upregulation of NQ01 after 48 hrs by MTT assay
50001715	1	ChEMBL_1734023 (CHEMBL4149559)	Inhibition of recombinant human BACE1 using RhEVNLDAEFK-Quencher as substrate after 60 mins by fluorescence assay
50001716	1	ChEBML_1734033	Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scintillation proximity assay
50001716	2	ChEMBL_1734052 (CHEMBL4149588)	Inhibition of Plasmodium falciparum 6His-tagged MRK expressed in Escherichia coli preincubated for 5 mins followed by [gamma32P]ATP addition by scintillation counting
50001716	3	ChEBML_1734051	Inhibition of Plasmodium falciparum MRK
50001716	4	ChEBML_1734039	Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assay
50001716	5	ChEMBL_1734033 (CHEMBL4149569)	Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scintillation proximity assay
50001716	6	ChEMBL_1734042 (CHEMBL4149578)	Inhibition of Plasmodium falciparum His-tagged CDPK4 expressed in Escherichia coli BL21(DE3) using EGTA as substrate after 10 mins in presence of ATP
50001718	1	ChEBML_1734065	Inhibition of FITC-labelled MLL1 binding to menin (unknown origin) after 120 mins by fluorescence polarization method
50001719	1	ChEBML_1734165	Inhibition of Mycobacterium tuberculosis H37Ra PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by spectrophotometric analysis
50002460	4	ChEMBL_1764687 (CHEMBL4199934)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay
50002460	5	ChEMBL_1764686 (CHEMBL4199933)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assay
50002461	1	ChEMBL_1764695 (CHEMBL4199942)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells incubated for 2 hrs measured over 20 secs in presence of human serum albumin by aequorin based luminescence assay
50002462	1	ChEMBL_1764717 (CHEMBL4199964)	Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay
50002462	2	ChEMBL_1764718 (CHEMBL4199965)	Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assay
50002462	3	ChEMBL_1764721 (CHEMBL4199968)	Inhibition of CYP3A4 (unknown origin) co-incubated with substrate
50002462	4	ChEMBL_1764742 (CHEMBL4199989)	Inhibition of CYP2C8 (unknown origin) co-incubated with substrate
50002462	5	ChEMBL_1764741 (CHEMBL4199988)	Inhibition of CYP2C8 (unknown origin) preincubated followed by substrate addition
50002462	6	ChEMBL_1764743 (CHEMBL4199990)	Inhibition of CYP2C9 (unknown origin) co-incubated with substrate
50002462	7	ChEMBL_1764722 (CHEMBL4199969)	Inhibition of CYP3A4 (unknown origin) preincubated followed by substrate addition
50002462	8	ChEMBL_1764744 (CHEMBL4199991)	Inhibition of CYP2C9 (unknown origin) preincubated followed by substrate addition
50002463	1	ChEMBL_1764821 (CHEMBL4200068)	Agonist activity at Galphaq-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galphaq activation after 5 mins by BRET assay
50002463	2	ChEMBL_1764822 (CHEMBL4200069)	Agonist activity at Galpha13-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galpha13 activation after 5 mins by BRET assay
50002463	3	ChEMBL_1764819 (CHEMBL4200066)	Displacement of [125I]Tyr3-neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by gamma counting analysis
50002463	4	ChEMBL_1764824 (CHEMBL4200071)	Agonist activity at GFP10/beta-arrestin2-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin2 recruitment after 20 mins by BRET assay
50002463	5	ChEMBL_1764823 (CHEMBL4200070)	Agonist activity at GFP10/beta-arrestin1-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin1 recruitment after 20 mins by BRET assay
50001722	1	ChEBML_1734198	Agonist activity at human GPR35 assessed as induction of beta-arrestin recruitment
50001722	2	ChEMBL_1734190 (CHEMBL4149726)	Desensitization of GPR35 in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution pretreated for 1 hr followed by zaprinast stimulation
50002463	6	ChEMBL_1764837 (CHEMBL4200084)	Binding affinity to NTS1 receptor (unknown origin)
50002463	7	ChEMBL_1764836 (CHEMBL4200083)	Displacement of [3H]-neurotensin from NTS1 receptor (unknown origin) after 20 mins by liquid scintillation counting analysis
50001722	3	ChEMBL_1734196 (CHEMBL4149732)	Agonist activity at recombinant human N-terminal FLAG/eYFP-fused GPR35a expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment by path hunter assay
50001722	4	ChEMBL_1734198 (CHEMBL4149734)	Agonist activity at human GPR35 assessed as induction of beta-arrestin recruitment
50001722	5	ChEBML_1734197	Agonist activity at recombinant rat N-terminal FLAG/eYFP-fused GPR35 expressed in HEK293 cells assessed as induction of beta-arrestin recruitment by BRET assay
50002463	8	ChEMBL_1764817 (CHEMBL4200064)	Displacement of [125I]Tyr3-neurotensin from human NTS1 receptor (end Leu 194 residues) expressed in CHO cells
50001723	1	ChEBML_1734199	Inhibition of MMP3 (unknown origin) using fluorescently-labeled substrate measured every min for 1 min
50001723	2	ChEBML_1734200	Inhibition of MMP10 (unknown origin) using fluorescently-labeled substrate measured every min for 1 min
50002464	1	ChEMBL_1764838 (CHEMBL4200085)	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of calcium mobilization after 1 hr by Oregon Green BAPTA-1/AM dye-based fluorescence assay
50002464	2	ChEMBL_1764841 (CHEMBL4200088)	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of MDL 29,951-induced calcium mobilization after 1 hr by Oregon Green BAPTA-1/AM dye-based fluorescence assay
50002464	3	ChEMBL_1764848 (CHEMBL4200095)	Agonist activity at rat GPR17 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by calcium 5-dye based assay
50002464	4	ChEMBL_1764849 (CHEMBL4200096)	Agonist activity at mouse GPR17 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by calcium 5-dye based assay
50002464	5	ChEMBL_1764861 (CHEMBL4200108)	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50002465	1	ChEMBL_1764865 (CHEMBL4200112)	Binding affinity to human ERalpha LBD after 2 hrs in absence of light by competitive fluorometric binding assay
50002465	2	ChEMBL_1764866 (CHEMBL4200113)	Binding affinity to human ERbeta LBD after 2 hrs in absence of light by competitive fluorometric binding assay
50001726	1	ChEBML_1734273	Inhibition of AChE (unknown origin)
50001726	3	ChEBML_1734268	Inhibition of CYP3A4 (unknown origin)
50001726	6	ChEBML_1734272	Inhibition of nAChR alpha1 (unknown origin)
50001726	2	ChEBML_1734267	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
50001726	7	ChEBML_1734271	Inhibition of mu opioid receptor (unknown origin)
50001726	9	ChEBML_1734268	Inhibition of CYP3A4 (unknown origin)
50001726	11	ChEBML_1734264	Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by acetylcholine addition measured for 90 secs by calcium-dye based assay
50001726	12	ChEBML_1734271	Inhibition of mu opioid receptor (unknown origin)
50001726	10	ChEBML_1734263	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
50002465	3	ChEMBL_1764868 (CHEMBL4200115)	Agonist activity at human ERalpha expressed in HEK293T cells after 24 hrs by ERE-based dual luciferase reporter gene assay
50002465	4	ChEMBL_1764870 (CHEMBL4200117)	Agonist activity at human ERbeta expressed in HEK293T cells after 24 hrs by ERE-based dual luciferase reporter gene assay
50001726	13	ChEBML_1734267	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
50002465	5	ChEMBL_1764872 (CHEMBL4200119)	Antagonist activity at human ERalpha expressed in HEK293T cells after 24 hrs by ERE-based dual luciferase reporter gene assay
50001726	14	ChEBML_1734273	Inhibition of AChE (unknown origin)
50001726	8	ChEBML_1734270	Inhibition of adrenergic alpha2A receptor (unknown origin)
50002465	6	ChEMBL_1764874 (CHEMBL4200121)	Antagonist activity at human ERbeta expressed in HEK293T cells after 24 hrs by ERE-based dual luciferase reporter gene assay
50001726	15	ChEBML_1734272	Inhibition of nAChR alpha1 (unknown origin)
50001727	1	ChEBML_1734278	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in cAMP level after 30 mins by LANCE assay
50001727	2	ChEBML_1734279	Agonist activity at mouse GPR119 assessed as increase in cAMP level
50001726	18	ChEBML_1734267	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
50001726	19	ChEMBL_1734268 (CHEMBL4149804)	Inhibition of CYP3A4 (unknown origin)
50002466	1	ChEMBL_1764906 (CHEMBL4200153)	Inhibition of recombinant human PTP1B catalytic domain (91 to 1053 residues) expressed in Escherichia coli BL21-codon plus (DE3) using pNPP as substrate measured continuously for 3 mins by colorimetric method
50002467	1	ChEMBL_1764945 (CHEMBL4200192)	Inhibition of human SMS2 using C6-NBD-ceramide and DMPC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HPLC analysis
50002467	2	ChEMBL_1764948 (CHEMBL4200195)	Inhibition of human SMS1 using C6-NBD-ceramide and DMPC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HPLC analysis
50002470	1	ChEMBL_1765155 (CHEMBL4200402)	Inhibition of rat GluA1 flip isoform expressed in Xenopus laevis oocytes assessed as inhibition of L-Glu-evoked currents under illumination with blue light at 470 nanometer at -80 mV membrane potential by two electrode voltage-clamp assay
50002470	2	ChEMBL_1765150 (CHEMBL4200397)	Inhibition of rat GluA1 flip isoform expressed in Xenopus laevis oocytes assessed as inhibition of L-Glu-evoked currents under dark condition at -80 mV membrane potential by two electrode voltage-clamp assay
50002470	3	ChEMBL_1765149 (CHEMBL4200396)	Inhibition of rat GluN1a/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of L-Glu and Gly-evoked currents under illumination with blue light at 470 nanometer condition at -80 mV membrane potential by two electrode voltage-clamp assay
50001727	3	ChEBML_1734278	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in cAMP level after 30 mins by LANCE assay
50001727	4	ChEBML_1734279	Agonist activity at mouse GPR119 assessed as increase in cAMP level
50002470	4	ChEMBL_1765148 (CHEMBL4200395)	Inhibition of rat GluN1a/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of L-Glu and Gly-evoked currents under dark condition at -80 mV membrane potential by two electrode voltage-clamp assay
50002471	1	ChEMBL_1765159 (CHEMBL4200406)	Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins by spectrophotometry based Ellman's assay
50002471	2	ChEMBL_1765165 (CHEMBL4200412)	Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins by spectrophotometry based Ellman's assay
50002471	3	ChEMBL_1765168 (CHEMBL4200415)	Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins by spectrophotometry based Ellman's assay
50002471	4	ChEMBL_1765162 (CHEMBL4200409)	Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins by spectrophotometry based Ellman's assay
50002471	5	ChEMBL_1765157 (CHEMBL4200404)	Inhibition of human recombinant AChE by spectrophotometry based Ellman's assay
50002472	1	ChEMBL_1765178 (CHEMBL4200425)	Inhibition of human recombinant PLK1 by Z-Lyte assay
50001726	24	ChEBML_1734263	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
50001726	25	ChEMBL_1734264 (CHEMBL4149800)	Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by acetylcholine addition measured for 90 secs by calcium-dye based assay
50002472	2	ChEMBL_1765177 (CHEMBL4200424)	Inhibition of BRD4-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay
50002472	3	ChEMBL_1765179 (CHEMBL4200426)	Inhibition of BRDT-BD1 (unknown origin) incubated for 1 hr by AlphaScreen biotin-JQ1 competition assay
50002473	1	ChEMBL_1765188 (CHEMBL4200435)	Displacement of [125I]iodomelatonin from human MT2 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50002473	2	ChEMBL_1765186 (CHEMBL4200433)	Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50002473	3	ChEMBL_1765190 (CHEMBL4200437)	Inhibition of FAAH1 in Wistar rat brain homogenates using [3H]anandamide as substrate incubated for 30 mins by liquid scintillation counting method
50002474	1	ChEMBL_1765196 (CHEMBL4200443)	Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in acetylcholine-induced IP accumulation incubated for 16 to 20 hrs measured for 3.5 to 4 mins by FLIPR assay
50002475	1	ChEMBL_1765209 (CHEMBL4200456)	Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay
50002475	2	ChEMBL_1765210 (CHEMBL4200457)	Inhibition of ATR in human HT-29 cells measured after 1 hr by Hoechst 33258 staining based fluorescence assay
50002475	3	ChEMBL_1765228 (CHEMBL4200475)	Inhibition of DNAPK in human HeLa nuclear cell extracts using FITC-EPPLSQEAFADLWKK as substrate measured after 40 mins by TR-FRET based Lanthascreen assay
50002475	4	ChEMBL_1765222 (CHEMBL4200469)	Inhibition of ATM (unknown origin) using p53 as substrate pretreated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assay
50002475	5	ChEMBL_1765223 (CHEMBL4200470)	Inhibition of recombinant human PI3Kalpha using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by luminescence assay
50002475	6	ChEMBL_1765224 (CHEMBL4200471)	Inhibition of recombinant human PI3Kbeta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by luminescence assay
50002475	7	ChEMBL_1765226 (CHEMBL4200473)	Inhibition of recombinant human PI3Kdelta using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by luminescence assay
50002475	8	ChEMBL_1765227 (CHEMBL4200474)	Inhibition of truncated FLAG-tagged mTOR (unknown origin) (1362 to 2549 residues) expressed in HEK293 cells using biotinylated P70 peptide as substrate measured after 90 mins by Alphascreen assay
50002475	9	ChEMBL_1765229 (CHEMBL4200476)	Inhibition of PI3Kalpha in human BT474 cells assessed as reduction in Akt phosphorylation at Tyr308 residue measured after 2 hrs by fluorescence assay
50002475	10	ChEMBL_1765230 (CHEMBL4200477)	Inhibition of PI3Kbeta in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay
50002475	11	ChEMBL_1765231 (CHEMBL4200478)	Inhibition of mTOR in human MDA-MB-231 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by fluorescence assay
50001728	2	ChEBML_1734357	Inhibition of CYP2C9 in human liver microsomes
50001728	3	ChEBML_1734327	Displacement of [3H]Ro 25-6981 from GluN2B receptor in Sprague-Dawley rat forebrain membranes incubated for 1 hr by topcount micro scintillation counting method
50001728	4	ChEBML_1734356	Inhibition of CYP2C8 in human liver microsomes
50001728	5	ChEMBL_1734365 (CHEMBL4149901)	Binding affinity to GluN2B receptor in human cortex
50001728	6	ChEBML_1734358	Inhibition of CYP2C19 in human liver microsomes
50001728	7	ChEBML_1734359	Inhibition of CYP2D6 in human liver microsomes
50001728	8	ChEBML_1734355	Inhibition of CYP2B6 in human liver microsomes
50001728	9	ChEBML_1734354	Inhibition of CYP1A2 in human liver microsomes
50001728	10	ChEBML_1734353	Inhibition of CYP3A4 in human liver microsomes using BFC/BZR as substrate
50001728	11	ChEBML_1734365	Binding affinity to GluN2B receptor in human cortex
50001729	1	ChEMBL_1734433 (CHEMBL4149969)	Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrolidine-1-carboxamido)methyl)benzoate] from complement factor D (unknown origin) by NMR based FAXS analysis
50001729	2	ChEBML_1734433	Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrolidine-1-carboxamido)methyl)benzoate] from complement factor D (unknown origin) by NMR based FAXS analysis
50001729	3	ChEMBL_1734432 (CHEMBL4149968)	Binding affinity to 15-N labeled complement factor D (unknown origin) by 1H-15N HSQC NMR analysis
50001720	1	ChEMBL_1734172 (CHEMBL4149708)	Inhibition of biotinylated MLL-1 derived biotinylated Btn-PEG2- PEG2-S-Nva-RWRFPARPGTT-Amide binding to recombinant full length N-terminal His-tagged menin (unknown origin) expressed in Escherichia coli incubated for 10 mins by TR-FRET assay
50001721	1	ChEMBL_1734183 (CHEMBL4149719)	Inhibition of CYP2C19 (unknown origin)
50001721	2	ChEMBL_1734179 (CHEMBL4149715)	Inhibition of CYP3A4 (unknown origin)
50001721	3	ChEMBL_1734174 (CHEMBL4149710)	Inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 0.2 mM substrate addition measured after 15 mins by RapidFire mass spectrometry based fluorescence assay
50001721	4	ChEMBL_1734173 (CHEMBL4149709)	Inhibition of TDO2 in human SW48 cells assessed as decrease in conversion of tryptophan to N-formylkynurenine after 30 mins by fluorescence assay
50001721	5	ChEMBL_1734181 (CHEMBL4149717)	Inhibition of CYP2D6 (unknown origin)
50001721	6	ChEMBL_1734182 (CHEMBL4149718)	Inhibition of CYP2C9 (unknown origin)
50001721	7	ChEMBL_1734180 (CHEMBL4149716)	Inhibition of CYP1A2 (unknown origin)
50001721	8	ChEMBL_1734177 (CHEMBL4149713)	Competitive inhibition of recombinant human TDO2 assessed as decrease in conversion of L-tryptophan to N-formylkynurenine preincubated for 5 mins followed by 1 mM substrate addition measured after 15 mins by RapidFire mass spectrometry based fluorescence assay
50001722	6	ChEMBL_1734189 (CHEMBL4149725)	Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay
50002475	12	ChEMBL_1765225 (CHEMBL4200472)	Inhibition of recombinant human PI3Kgamma using PIP2 as substrate pretreated for 20 mins followed by substrate addition and measured after 80 mins by luminescence assay
50002475	13	ChEMBL_1765252 (CHEMBL4200499)	Inhibition of CYP1A2 (unknown origin)
50002475	14	ChEMBL_1765254 (CHEMBL4200501)	Inhibition of CYP2C19 (unknown origin)
50002475	15	ChEMBL_1765255 (CHEMBL4200502)	Inhibition of CYP2D6 (unknown origin)
50002475	16	ChEMBL_1765256 (CHEMBL4200503)	Inhibition of CYP3A4 (unknown origin)
50002475	17	ChEMBL_1765257 (CHEMBL4200504)	Inhibition of recombinant human ERG expressed in CHOK1 cells at -70 mV holding potential by patch clamp electrophysiology method
50002475	18	ChEMBL_1765253 (CHEMBL4200500)	Inhibition of CYP2C9 (unknown origin)
50001726	29	ChEMBL_1734263 (CHEMBL4149799)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay
50001726	26	ChEMBL_1734267 (CHEMBL4149803)	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition measured after 45 mins by fluorescence assay
50001726	20	ChEMBL_1734273 (CHEMBL4149809)	Inhibition of AChE (unknown origin)
50001726	27	ChEMBL_1734271 (CHEMBL4149807)	Inhibition of mu opioid receptor (unknown origin)
50001726	28	ChEMBL_1734270 (CHEMBL4149806)	Inhibition of adrenergic alpha2A receptor (unknown origin)
50001726	23	ChEMBL_1734272 (CHEMBL4149808)	Inhibition of nAChR alpha1 (unknown origin)
50002477	1	ChEMBL_1765296 (CHEMBL4200543)	Inhibition of human GST-tagged PDE9A2 expressed in insect cells using FAM-labeled cGMP as substrate incubated for 60 mins measured after 1 hr by IMAP based fluorescence polarization assay
50002480	1	ChEMBL_1765297 (CHEMBL4200544)	Modulation of recombinant human GluA1 flop isoform/TARPgamma8 expressed in HEK293F cells assessed as blockade of glutamate-induced calcium flux by calcium 5/6 dye based FLIPR assay
50002480	2	ChEMBL_1765298 (CHEMBL4200545)	Modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293F cells assessed as blockade of glutamate-induced calcium flux by calcium 5/6 dye based FLIPR assay
50002481	1	ChEMBL_1765351 (CHEMBL4200598)	Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 staining based fluorescence assay
50002481	2	ChEMBL_1765357 (CHEMBL4200604)	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux measured after 30 mins by fluorescence assay
50001728	12	ChEMBL_1734328 (CHEMBL4149864)	Negative allosteric modulation of human GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced channel current after 15 to 20 mins by two electrode voltage clamp based electrophysiology assay
50001728	13	ChEMBL_1734340 (CHEMBL4149876)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in peak tail current after 2 to 5 mins by patch clamp based electrophysiology assay
50001729	5	ChEMBL_1734434 (CHEMBL4149970)	Inhibition of recombinant complement factor D catalytic domain (unknown origin) using Z-Lys-thiobenzyl as substrate pretreated for 1 hr followed by substrate addition by 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorescein probe based spectrofluorimetric thioesterolysis assay
50001729	4	ChEMBL_1734435 (CHEMBL4149971)	Inhibition of complement factor D (unknown origin) by ELISA
50001730	1	ChEMBL_1734440 (CHEMBL4149976)	Agonist activity at human NMUR2 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintillation proximity assay
50001730	2	ChEMBL_1734437 (CHEMBL4149973)	Displacement of [3H]-NMU-8 from human NMUR1 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method
50001730	3	ChEMBL_1734438 (CHEMBL4149974)	Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cells after 3 hrs by topcount micro scintillation counting method
50001730	4	ChEMBL_1734439 (CHEMBL4149975)	Agonist activity at human NMUR1 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintillation proximity assay
50001731	1	ChEMBL_1734477 (CHEMBL4150013)	Displacement of 5-((2R,6S,9S,12S,15S,18S,21S,24S)-3-((S)-2-((S)-1-amino-3-methyl-1-oxobutan-2-ylcarbamoyl)pyrrolidine-1-carbonyl)-15-(4-aminobutyl)-2-hydroxy-12-(4-hydroxybenzyl)-6,9,18,24-tetraisobutyl-21-methyl-5,8,11,14,17,20,23,26,29-nonaoxo-4,7,10,13,16,19,22,25,28-nonaazatetratriacontan-34-ylcarbamoyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from TRF2 TRFH domain (unknown origin) after 30 mins by fluorescence polarization assay
50001732	1	ChEMBL_1734479 (CHEMBL4150015)	Inhibition of trypsin (unknown origin) assessed as reduction in conversion of N-benzoyl-L-arginine ethyl ester hydrochloride to N-benzoyl-L-arginine incubated for 5 mins measured for 30 secs by spectrophotometric method
50001733	1	ChEMBL_1734629 (CHEMBL4150165)	Inhibition of fluoromone binding to recombinant human full length untagged ERalpha expressed in insect cells after 2 hrs by fluorescence polarization assay
50001733	2	ChEMBL_1734630 (CHEMBL4150166)	Inhibition of fluoromone binding to recombinant human full length untagged ERbeta expressed in insect cells after 2 hrs by fluorescence polarization assay
50001734	1	ChEMBL_1734653 (CHEMBL4150189)	Inhibition of PTP1B (1 to 298 residues) (unknown origin) using p-nitrophenylphosphate as substrate after 30 mins
50001735	1	ChEMBL_1734695 (CHEMBL4150231)	Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated for 3 hrs by competitive binding assay
50001736	1	ChEMBL_1734779 (CHEMBL4150315)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry
50001736	2	ChEMBL_1734781 (CHEMBL4150317)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry
50001736	3	ChEMBL_1734786 (CHEMBL4150322)	Agonist activity at human mu opioid receptor expressed in HEK293 assessed as inhibition forskolin-induced cAMP accumulation after 15 mins by EIA
50001736	4	ChEMBL_1734780 (CHEMBL4150316)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cell membranes after 2 hrs by liquid scintillation spectrometry
50001736	5	ChEMBL_1734784 (CHEMBL4150320)	Agonist activity at human kappa opioid receptor expressed in HEK293 assessed as inhibition forskolin-induced cAMP accumulation after 15 mins by EIA
50001736	6	ChEMBL_1734792 (CHEMBL4150328)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)
50001736	7	ChEMBL_1734793 (CHEMBL4150329)	Displacement of [3H]-ethylketocyclazocine from kappa opioid receptor (unknown origin)
50001737	1	ChEMBL_1734798 (CHEMBL4150334)	Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay
50001737	2	ChEMBL_1734801 (CHEMBL4150337)	Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay
50001737	3	ChEMBL_1734795 (CHEMBL4150331)	Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay
50001724	1	ChEMBL_1734215 (CHEMBL4149751)	Inhibition of human NaPi2a expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	2	ChEMBL_1734216 (CHEMBL4149752)	Inhibition of human NaPi2b expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	3	ChEMBL_1734217 (CHEMBL4149753)	Inhibition of human NaPi2c expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	4	ChEMBL_1734218 (CHEMBL4149754)	Inhibition of human Pit-1 expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	5	ChEMBL_1734219 (CHEMBL4149755)	Inhibition of human Pit-2 expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	6	ChEMBL_1734226 (CHEMBL4149762)	Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation counting method
50001724	7	ChEMBL_1734231 (CHEMBL4149767)	Inhibition of mouse NaPi2c expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	8	ChEMBL_1734229 (CHEMBL4149765)	Inhibition of rat NaPi2c expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	9	ChEMBL_1734228 (CHEMBL4149764)	Inhibition of rat NaPi2a expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001724	10	ChEMBL_1734230 (CHEMBL4149766)	Inhibition of mouse NaPi2a expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 to 30 mins prior to substrate addition
50001725	1	ChEMBL_1734316 (CHEMBL4149852)	Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay
50001725	2	ChEMBL_1734315 (CHEMBL4149851)	Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon dioxide hydration assay
50001725	3	ChEMBL_1734320 (CHEMBL4149856)	Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay
50001725	4	ChEMBL_1734318 (CHEMBL4149854)	Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay
50001725	5	ChEMBL_1734317 (CHEMBL4149853)	Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay
50001725	6	ChEMBL_1734319 (CHEMBL4149855)	Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay
50001738	1	ChEMBL_1734834 (CHEMBL4150370)	Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50001738	2	ChEMBL_1734836 (CHEMBL4150372)	Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50001738	3	ChEMBL_1734832 (CHEMBL4150368)	Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50001738	4	ChEMBL_1734830 (CHEMBL4150366)	Inhibition of recombinant human cytosolic CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50001739	1	ChEMBL_1734850 (CHEMBL4150386)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate by Kinase-Glo assay
50001739	2	ChEMBL_1734854 (CHEMBL4150390)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate by ADP-Glo assay
50001739	3	ChEMBL_1734941 (CHEMBL4150477)	Inhibition of human ERG expressed in CHO cell membranes by patch clamp method
50001739	4	ChEMBL_1734947 (CHEMBL4150483)	Inhibition of CYP2E1 in human liver microsomes assessed as reduction in 6-Hydroxychlorzoxazone formation using chlorzoxazone as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001739	5	ChEMBL_1734946 (CHEMBL4150482)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1-Hydroxymidazolam formation using midazolam as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001739	6	ChEMBL_1734853 (CHEMBL4150389)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate by ADP-Glo assay
50001739	7	ChEMBL_1734855 (CHEMBL4150391)	Inhibition of AKT1 (unknown origin) using FAM-labeled peptide as substrate by mobility shift assay
50001739	8	ChEMBL_1734943 (CHEMBL4150479)	Inhibition of CYP2C19 in human liver microsomes assessed as reduction in 4-Hydroxymephenytoinn formation using mephenytoin as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001739	9	ChEMBL_1734942 (CHEMBL4150478)	Inhibition of CYP1A2 in human liver microsomes assessed as reduction in acetaminophen formation using phenacetin as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001739	10	ChEMBL_1734856 (CHEMBL4150392)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 30 mins by Lance Ultra assay
50001739	11	ChEMBL_1734945 (CHEMBL4150481)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4-Hydroxydiclofenac formation using diclofenac as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001739	12	ChEMBL_1734852 (CHEMBL4150388)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by ADP-Glo assay
50001739	13	ChEMBL_1734944 (CHEMBL4150480)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextrophan formation using detromethorphann as substrate after 10 to 20 mins in presence of NADPH by LC-MS/MS analysis
50001740	1	ChEMBL_1734969 (CHEMBL4150505)	Binding affinity to mouse N-terminal Halo-fused/biotin-labelled Lin28A expressed in Escherichia coli BL21(DE3) assessed as inhibition of protein interaction with pre-Let-7d microRNA measured after 1 hr by cat-ELCCA
50001741	1	ChEMBL_1734990 (CHEMBL4150526)	Inhibition of CDK8 (unknown origin)
50001741	2	ChEMBL_1734995 (CHEMBL4150531)	Inhibition of wild-type human partial length NEK1 (M1 to K278 residues) expressed in bacterial expression system by Kinomescan method
50001741	3	ChEMBL_1734994 (CHEMBL4150530)	Inhibition of human CDK19 (M1 to N360 residues) expressed in bacterial expression system by KINOMEscan assay
50001741	4	ChEMBL_1734996 (CHEMBL4150532)	Inhibition of CDK8 in human HepG2 cells assessed as reduction in IFNgamma-induced STAT1 phosphorylation at S727 measured after 18 hrs by Western blot analysis
50001743	1	ChEMBL_1735027 (CHEMBL4150563)	Inhibition of rhodamine-tagged FP probe binding to NOTUM in human SW620 cells conditioned media pretreated for 30 mins followed by rhodamine-tagged FP probe addition and measured after 30 mins by SDS-PAGE fluorescence analysis
50001743	2	ChEMBL_1735025 (CHEMBL4150561)	Inhibition of NOTUM in human SW620 cells conditioned medium assessed as preservation of Wnt3A activity pretreated for 1 hr followed by Wnt3A producing L-cell addition for 2 hrs and subsequent HEK393-STF cell addition and measured after 24 hrs by luciferase reporter gene assay
50001743	3	ChEMBL_1735026 (CHEMBL4150562)	Inhibition of rhodamine-tagged FP probe binding to recombinant human C-terminal FLAG-tagged NOTUM expressed in HEK293T cells pretreated for 30 mins followed by rhodamine-tagged FP probe addition and measured after 30 mins by SDS-PAGE fluorescence analysis
50001744	1	ChEMBL_1735064 (CHEMBL4150600)	Inhibition of full length human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50001744	2	ChEMBL_1735048 (CHEMBL4150584)	Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of ATP
50001744	3	ChEMBL_1735049 (CHEMBL4150585)	Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50001744	4	ChEMBL_1735047 (CHEMBL4150583)	Inhibition of TYK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of ATP
50001744	5	ChEMBL_1735065 (CHEMBL4150601)	Inhibition of full length recombinant C-terminal His tagged human HDAC8 expressed in Baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50001744	6	ChEMBL_1735062 (CHEMBL4150598)	Inhibition of JAK1 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of ATP
50001744	7	ChEMBL_1735046 (CHEMBL4150582)	Inhibition of recombinant HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50001744	8	ChEMBL_1735063 (CHEMBL4150599)	Inhibition of JAK3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of ATP
50001744	9	ChEMBL_1735045 (CHEMBL4150581)	Inhibition of human recombinant HDAC3/GST-tagged NCOR1 (397 to 503 residues) co-expressed in insect cells using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50001746	1	ChEMBL_1735113 (CHEMBL4150649)	Inhibition of human cathepsin D using GKPILFFRLK(DNP)-D-RNH2) labeled MCA as substrate preincubated for 10 mins followed by substrate addition measured after 1 to 2 hrs by fluorometric method
50001747	1	ChEMBL_1735122 (CHEMBL4150658)	Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	2	ChEMBL_1735125 (CHEMBL4150661)	Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	3	ChEMBL_1735126 (CHEMBL4150662)	Inhibition of Influenza A virus (A/duck/Guangdong/674/2014(H5N6)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	4	ChEMBL_1735127 (CHEMBL4150663)	Inhibition of Influenza A virus (A/goose/Jiangsu/1306/2014(H5N8)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	5	ChEMBL_1735128 (CHEMBL4150664)	Inhibition of Influenza A virus (A/chicken/china/415/2013(H9N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	6	ChEMBL_1735129 (CHEMBL4150665)	Inhibition of Influenza A virus (A/Anhui/1/2013(H7N9)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	7	ChEMBL_1735130 (CHEMBL4150666)	Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase H274Y mutant activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	8	ChEMBL_1735171 (CHEMBL4150707)	Inhibition of Influenza A virus (H1N1) neuraminidase activity
50001747	9	ChEMBL_1735123 (CHEMBL4150659)	Inhibition of Influenza A virus (A/Babol/36/2005(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	10	ChEMBL_1735124 (CHEMBL4150660)	Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	11	ChEMBL_1735121 (CHEMBL4150657)	Inhibition of Influenza A virus (A/PuertoRico/8/1934(H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	12	ChEMBL_1735131 (CHEMBL4150667)	Inhibition of Influenza A virus (A/Babol/36/2005(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	13	ChEMBL_1735170 (CHEMBL4150706)	Inhibition of Influenza B virus neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 to 60 mins by chemiluminescence assay
50001747	14	ChEMBL_1735172 (CHEMBL4150708)	Inhibition of Influenza A virus (H3N2) neuraminidase activity
50001747	15	ChEMBL_1735175 (CHEMBL4150711)	Inhibition of Influenza A virus (A/Paris/908/97 (H3N2)) neuraminidase activity by fluorometric assay
50001747	16	ChEMBL_1735176 (CHEMBL4150712)	Inhibition of Influenza A virus SN33 (H1N1) neuraminidase activity using fluorogenic substrate MU-NANA pre-incubated for 30 mins before fluorogenic substrate addition and measured after 1 hr by spectrofluorometry
50001747	17	ChEMBL_1735174 (CHEMBL4150710)	Inhibition of Influenza A virus (A/Paris/2590/2009(H1N1)) neuraminidase activity by fluorometric assay
50001747	18	ChEMBL_1735173 (CHEMBL4150709)	Inhibition of Influenza A virus (A/HongKong/156/97 (H5N1)) neuraminidase activity by fluorometric assay
50001747	19	ChEMBL_1735177 (CHEMBL4150713)	Inhibition of Influenza A virus Taiwan/3446/2002 (H3N2) neuraminidase activity using fluorogenic substrate MU-NANA pre-incubated for 30 mins before fluorogenic substrate addition and measured after 1 hr by spectrofluorometry
50001748	1	ChEMBL_1735183 (CHEMBL4150719)	Inhibition of [3H]N-Methyl-SSR504734 binding to human recombinant GlyT1c expressed in CHO cell membranes incubated for 1 hr by liquid scintillation spectrometry
50001749	1	ChEMBL_1735211 (CHEMBL4150747)	Binding affinity to isotopically labeled and N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V mutant ( 1 to 129 residues) (unknown origin) expressed in Escherichia coli by 1H-15N HSQC NMR spectroscopy
50001749	2	ChEMBL_1735217 (CHEMBL4150753)	Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V mutant ( 1 to 129 residues) (unknown origin) expressed in Escherichia coli by BCOR peptide based AlphaLisa method
50001749	3	ChEMBL_1735209 (CHEMBL4150745)	Binding affinity to fluorescently labeled recombinant BCL6 BTB domain (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by microscale thermophoresis method
50001749	4	ChEMBL_1735216 (CHEMBL4150752)	Binding affinity to N-terminal thioredoxin-His6 tag with N-terminal thrombin-cleavage site containing recombinant BCL6 BTB domain C8Q/C67R/C84N/E99V mutant ( 1 to 129 residues) (unknown origin) expressed in Escherichia coli by ITC method
50001750	1	ChEMBL_1735228 (CHEMBL4150764)	Inhibition of Net1 (149 to 501 residues) (unknown origin) interaction with GDP-loaded His-tagged RhoA F25N mutant (1 to 180 residues) assessed as reduction in BODIPY-GTP-GDP exchange pretreated for 30 mins followed by RhoA addition by fluorescence based spectrophotometric method
50001750	2	ChEMBL_1735226 (CHEMBL4150762)	Inhibition of p115 DHPH22 domain (395 to 766 residues) (unknown origin) interaction with GDP-loaded His-tagged RhoA F25N mutant (1 to 180 residues) assessed as reduction in BODIPY-GTP-GDP exchange pretreated for 30 mins followed by RhoA addition by fluorescence based spectrophotometric method
50001753	1	ChEMBL_1735336 (CHEMBL4150872)	Inhibition of recombinant human N-terminal His6-tagged SUMO1 expressed in Escherichia coli assessed as reduction in FL-AR peptide sumoylation measured after 90 mins by electrophoretic mobility shift assay
50001754	1	ChEMBL_1735363 (CHEMBL4150899)	Inhibition of human p300 expressed in Escherichia coli incubated for 15 mins followed by [3H]acetyl-CoA/histone addition
50001755	1	ChEMBL_1735364 (CHEMBL4150900)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	2	ChEMBL_1735365 (CHEMBL4150901)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	3	ChEMBL_1735366 (CHEMBL4150902)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	4	ChEMBL_1735372 (CHEMBL4150908)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	5	ChEMBL_1735367 (CHEMBL4150903)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	6	ChEMBL_1735370 (CHEMBL4150906)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	7	ChEMBL_1735371 (CHEMBL4150907)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	8	ChEMBL_1735368 (CHEMBL4150904)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001755	9	ChEMBL_1735369 (CHEMBL4150905)	Inhibition of CYP2C19 in human liver microsomes using omeprazole as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system and measured after 15 mins by UPLC-MS analysis
50001756	1	ChEMBL_1735417 (CHEMBL4150953)	Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells after 4 hrs by HTRF assay
50001756	2	ChEMBL_1735419 (CHEMBL4150955)	Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells assessed as reduction in ratio of phosphorylated STAT3 to total STAT3 level after 4 hrs by HTRF assay
50001757	1	ChEMBL_1735430 (CHEMBL4150966)	Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method
50001757	2	ChEMBL_1735431 (CHEMBL4150967)	Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method
50001757	3	ChEMBL_1735432 (CHEMBL4150968)	Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method
50001757	4	ChEMBL_1735433 (CHEMBL4150969)	Inhibition of rat EAAT4 expressed in tsA201 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method
50001760	1	ChEMBL_1735454 (CHEMBL4150990)	Inhibition of alpha-2 macroglobulin (unknown origin)
50001761	1	ChEMBL_1735489 (CHEMBL4151025)	Binding affinity to human ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOScan assay
50001761	2	ChEMBL_1735498 (CHEMBL4151034)	Binding affinity to human BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOScan assay
50001761	3	ChEMBL_1735508 (CHEMBL4151044)	Binding affinity to human TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOScan assay
50001761	4	ChEMBL_1735456 (CHEMBL4150992)	Inhibition of FAM-labeled ZBA248 binding to recombinant human BRD4 bromodomain 1 (44 to 168 residues) expressed in Rosetta2 Escherichia coli DE3 cells after 30 mins by fluorescence polarization assay
50001761	5	ChEMBL_1735478 (CHEMBL4151014)	Binding affinity to human BRD2 bromodomain 1 (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50001761	6	ChEMBL_1735479 (CHEMBL4151015)	Binding affinity to human BRD2 bromodomain 2 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50001761	7	ChEMBL_1735483 (CHEMBL4151019)	Binding affinity to human BRD4 bromodomain 2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50001761	8	ChEMBL_1735488 (CHEMBL4151024)	Binding affinity to human EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOScan assay
50001761	9	ChEMBL_1735492 (CHEMBL4151028)	Binding affinity to human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOScan assay
50001761	10	ChEMBL_1735499 (CHEMBL4151035)	Binding affinity to human BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOScan assay
50001761	11	ChEMBL_1735503 (CHEMBL4151039)	Binding affinity to human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOScan assay
50001761	12	ChEMBL_1735509 (CHEMBL4151045)	Binding affinity to human TRIM24 (P790 to P977 residues) expressed in bacterial expression system by BROMOScan assay
50001761	13	ChEMBL_1735495 (CHEMBL4151031)	Inhibition of BRD8 bromodomain 1 (unknown origin) by BROMOScan assay
50001761	14	ChEMBL_1735507 (CHEMBL4151043)	Binding affinity to human TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOScan assay
50001761	15	ChEMBL_1735536 (CHEMBL4151072)	Inhibition of human PLK4 using casein as substrate in presence of [gamma-33P]-ATP
50001761	16	ChEMBL_1735480 (CHEMBL4151016)	Binding affinity to human BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50001761	17	ChEMBL_1735482 (CHEMBL4151018)	Binding affinity to human BRD4 bromodomain 1 (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50001761	18	ChEMBL_1735485 (CHEMBL4151021)	Binding affinity to human BRDT bromodomain 2 (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50001761	19	ChEMBL_1735486 (CHEMBL4151022)	Binding affinity to human CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50001761	20	ChEMBL_1735487 (CHEMBL4151023)	Binding affinity to human CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50001761	21	ChEMBL_1735490 (CHEMBL4151026)	Binding affinity to human ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOScan assay
50001761	22	ChEMBL_1735491 (CHEMBL4151027)	Binding affinity to human BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOScan assay
50001761	23	ChEMBL_1735494 (CHEMBL4151030)	Binding affinity to human BRD7 (L125 to R254 residues) expressed in bacterial expression system by BROMOScan assay
50001761	24	ChEMBL_1735496 (CHEMBL4151032)	Inhibition of BRD8 bromodomain 2 (unknown origin) by BROMOScan assay
50001761	25	ChEMBL_1735497 (CHEMBL4151033)	Binding affinity to human BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOScan assay
50001761	26	ChEMBL_1735500 (CHEMBL4151036)	Binding affinity to human FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOScan assay
50001761	27	ChEMBL_1735502 (CHEMBL4151038)	Binding affinity to human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOScan assay
50001761	28	ChEMBL_1735504 (CHEMBL4151040)	Binding affinity to human PCAF (G715 to D831 residues) expressed in bacterial expression system by BROMOScan assay
50001761	29	ChEMBL_1735505 (CHEMBL4151041)	Binding affinity to human SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOScan assay
50001761	30	ChEMBL_1735506 (CHEMBL4151042)	Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOScan assay
50001761	31	ChEMBL_1735511 (CHEMBL4151047)	Binding affinity to human WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50001761	32	ChEMBL_1735484 (CHEMBL4151020)	Binding affinity to human BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50001761	33	ChEMBL_1735501 (CHEMBL4151037)	Binding affinity to human GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOScan assay
50001761	34	ChEMBL_1735510 (CHEMBL4151046)	Binding affinity to human TRIM33-phd-bromo (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50001761	35	ChEMBL_1735493 (CHEMBL4151029)	Binding affinity to human BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOScan assay
50001761	36	ChEMBL_1735481 (CHEMBL4151017)	Binding affinity to human BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50001763	1	ChEMBL_1735575 (CHEMBL4151111)	Corrector activity at HRP-fused CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in matured protein levels at cell surface after 18 to 24 hrs in presence of co-corrector 3-[(2R,4R)-4-({[l-(2,2-difluoro-l,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]benzoic acid by luminescence assay
50001763	2	ChEMBL_1735573 (CHEMBL4151109)	Corrector activity at HRP-fused CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells assessed as increase in matured protein levels at cell surface after 18 to 24 hrs by luminescence assay
50001764	1	ChEMBL_1735577 (CHEMBL4151113)	Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins
50001764	2	ChEMBL_1735578 (CHEMBL4151114)	Inhibition of recombinant human sPLA2-10 expressed in Escherichia coli BL21(DE3) using HDL as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins
50001764	3	ChEMBL_1735579 (CHEMBL4151115)	Inhibition of recombinant human sPLA2-2A expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins
50001764	4	ChEMBL_1735583 (CHEMBL4151119)	Inhibition of mouse sPLA2-10 using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins
50001764	5	ChEMBL_1735581 (CHEMBL4151117)	Inhibition of recombinant human sPLA2-5 expressed in Escherichia coli BL21(DE3) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate pretreated for 20 mins followed by substrate addition and measured after 60 mins
50001765	1	ChEMBL_1735598 (CHEMBL4151134)	Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate by surface plasmon resonance assay
50001765	2	ChEMBL_1735597 (CHEMBL4151133)	Inhibition of PRMT5/MEP50 complex (unknown origin) expressed in Sf9 insect cells using SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin as substrate measured after 2 hrs in presence of [3H]-SAM by topcount scintillation proximity assay
50001765	3	ChEMBL_1735605 (CHEMBL4151141)	Inhibition of PRMT5 in human MCF7 cells assessed as reduction in SmBB'-Rme2s levels after 48 hrs by Western blot analysis
50001765	4	ChEMBL_1735607 (CHEMBL4151143)	Inhibition of PRMT5 in human MCF7 cells assessed as skipping of Mdm4 exon 6 mRNA splicing after 72 hrs by qRT-PCR method
50001766	1	ChEMBL_1735689 (CHEMBL4151225)	Displacement of [1,2,6,7-3H]progesterone from recombinant human GST-tagged PGR LBD (678 to 933 residues) expressed in baculovirus-infected insect cells measured after 24 hrs by liquid scintillation counting method
50001766	2	ChEMBL_1735693 (CHEMBL4151229)	Antagonist activity at human GAL4N-fused LXRalpha LBD expressed in HEK293 cells assessed as reduction in T0901317-induced transactivation activity after 24 hrs by luciferase reporter gene assay
50001766	3	ChEMBL_1735696 (CHEMBL4151232)	Antagonist activity at human CMX-GRalpha expressed in HEK293 cells assessed as reduction in dexamethasone-induced transactivation activity after 24 hrs by luciferase reporter gene assay
50001766	4	ChEMBL_1735710 (CHEMBL4151246)	Antagonist activity at human GR assessed as reduction in dexamethasone-induced transactivation
50001766	5	ChEMBL_1735684 (CHEMBL4151220)	Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs
50001766	6	ChEMBL_1735691 (CHEMBL4151227)	Antagonist activity at human RORbeta1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50001766	7	ChEMBL_1735709 (CHEMBL4151245)	Antagonist activity at human PRB expressed in African green monkey CV1 cells
50001766	8	ChEMBL_1735694 (CHEMBL4151230)	Antagonist activity at human GAL4N-fused LXRbeta LBD expressed in HEK293 cells assessed as reduction in T0901317-induced transactivation activity after 24 hrs by luciferase reporter gene assay
50001766	9	ChEMBL_1735695 (CHEMBL4151231)	Antagonist activity at human CMX-AR expressed in HEK293 cells assessed as reduction in dihydrotestosterone-induced transactivation activity after 24 hrs by luciferase reporter gene assay
50001766	10	ChEMBL_1735708 (CHEMBL4151244)	Antagonist activity at human AR assessed as reduction in DHT-induced transactivation
50001766	11	ChEMBL_1735692 (CHEMBL4151228)	Antagonist activity at human RORgamma1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50001767	1	ChEMBL_1735712 (CHEMBL4151248)	Binding affinity to carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 (DE3)
50001767	2	ChEMBL_1735711 (CHEMBL4151247)	Binding affinity to carbonic anhydrase 2 (unknown origin)
50001768	1	ChEMBL_1735719 (CHEMBL4151255)	Inhibition of human pancreatic lipase using emulsified olive oil as substrate pretreated with substrate for 5 mins followed by enzyme addition and measured after 30 mins
50001768	2	ChEMBL_1735716 (CHEMBL4151252)	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured after 60 mins
50001769	1	ChEMBL_1735727 (CHEMBL4151263)	Agonist activity at recombinant rat GPR40 expressed in CHOK1 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay
50001769	2	ChEMBL_1735745 (CHEMBL4151281)	Inhibition of human BSEP expressed in baculovirus infected Sf9 insect cell membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholic acid uptake
50001769	3	ChEMBL_1735781 (CHEMBL4151317)	Agonist activity at GPR120 (unknown origin)
50001769	4	ChEMBL_1735722 (CHEMBL4151258)	Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 60 mins by HTRF assay
50001769	5	ChEMBL_1735723 (CHEMBL4151259)	Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 60 mins in presence of 100% human serum by HTRF assay
50001770	1	ChEMBL_1735782 (CHEMBL4151318)	Inhibition of recombinant human MMP14 catalytic domain (89 to 265 residues) expressed in Escherichia coli using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate by fluorescence spectrophotometric method
50001770	2	ChEMBL_1735799 (CHEMBL4151335)	Inhibition of recombinant human C-terminal His10-tagged ADAM10 (Thr214 to Glu672 residues) expressed in baculovirus infected Sf21 cells using McaKPLGL-Dpa-AR-NH2 as substrate by fluorescence spectrophotometric method
50001770	3	ChEMBL_1735788 (CHEMBL4151324)	Inhibition of recombinant human MMP8 catalytic domain (Phe99 to Gln269 residues) expressed in Escherichia coli using McaKPLGL-Dpa-AR-NH2 as substrate by fluorescence spectrophotometric method
50001770	4	ChEMBL_1735785 (CHEMBL4151321)	Inhibition of APMA activated recombinant human full length MMP2 expressed in mouse cells using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate by fluorescence spectrophotometric method
50001770	5	ChEMBL_1735783 (CHEMBL4151319)	Inhibition of recombinant human MMP12 catalytic domain using Mca-PLGL-DpaAR-NH2 as substrate by fluorescence spectrophotometric method
50001770	6	ChEMBL_1735784 (CHEMBL4151320)	Inhibition of recombinant human MMP1 catalytic domain (Phe100 to Gln268 residues) expressed in Escherichia coli using McaKPLGL-Dpa-AR-NH2 as substrate by fluorescence spectrophotometric method
50001770	7	ChEMBL_1735787 (CHEMBL4151323)	Inhibition of recombinant human MMP7 expressed in Escherichia coli using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate by fluorescence spectrophotometric method
50001770	8	ChEMBL_1735792 (CHEMBL4151328)	Inhibition of recombinant human C-terminal His6-tagged ADAM17 (Arg215 to Asn671 residues) expressed in baculovirus infected Sf21 cells using Mca-PLAQAV-Dpa-RSSSR-NH2 as substrate by fluorescence spectrophotometric method
50001770	9	ChEMBL_1735790 (CHEMBL4151326)	Inhibition of recombinant human C-terminal His10-tagged ADAM9 (Ala206 to Asp697 residues) expressed in mouse cells using McaPLAQAV-Dpa-RSSSR-NH2 as substrate by fluorescence spectrophotometric method
50001770	10	ChEMBL_1735789 (CHEMBL4151325)	Inhibition of recombinant human MMP9 catalytic domain (Phe107 to Pro449 residues) expressed in Escherichia coli using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate by fluorescence spectrophotometric method
50001770	11	ChEMBL_1735786 (CHEMBL4151322)	Inhibition of recombinant human MMP3 catalytic domain expressed in Escherichia coli using MOCAc-Arg-Pro-LysPro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate by fluorescence spectrophotometric method
50001771	1	ChEMBL_1735824 (CHEMBL4151360)	Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration method
50001771	2	ChEMBL_1735823 (CHEMBL4151359)	Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration method
50001771	3	ChEMBL_1735822 (CHEMBL4151358)	Binding affinity to human carbonic anhydrase 1 by stopped flow CO2 hydration method
50001771	4	ChEMBL_1735825 (CHEMBL4151361)	Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method
50001772	1	ChEMBL_1735867 (CHEMBL4151403)	Inverse agonist activity at mouse MC5R expressed in HEK293 cells incubated for 2 hrs by AlphaScreen cAMP assay
50001772	2	ChEMBL_1735864 (CHEMBL4151400)	Agonist activity at mouse MC1R expressed in HEK293 cells incubated for 2 hrs by AlphaScreen cAMP assay
50001772	3	ChEMBL_1735863 (CHEMBL4151399)	Agonist activity at mouse MC1R by cAMP assay
50001773	1	ChEMBL_1735876 (CHEMBL4151412)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition and measured by DTNB reagent based assay
50001773	2	ChEMBL_1735878 (CHEMBL4151414)	Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition and measured by DTNB reagent based assay relative to control
50001774	1	ChEMBL_1735898 (CHEMBL4151434)	Inhibition of GST-tagged human recombinant DYRK1A by FRET-based LanthaScreen Eu kinase binding assay
50001774	2	ChEMBL_1735899 (CHEMBL4151435)	Inhibition of human DYRK1A
50001775	1	ChEMBL_1735959 (CHEMBL4151495)	Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cells assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide phosphorylation pre-incubated for 60 mins by LANCE Ultra assay
50001775	2	ChEMBL_1735968 (CHEMBL4151504)	Inhibition of CDK12 in human SK-BR-3 cells assessed as reduction in RNA polymerase 2 Ser2 phosphorylation incubated for 4 hrs by
50001775	3	ChEMBL_1735964 (CHEMBL4151500)	Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP and measured after 20 mins by radiometric assay
50001775	4	ChEMBL_1735960 (CHEMBL4151496)	Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide phosphorylation pre-incubated for 60 mins by LANCE Ultra assay
50001775	5	ChEMBL_1735962 (CHEMBL4151498)	Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assay
50001775	6	ChEMBL_1735961 (CHEMBL4151497)	Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cells assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide phosphorylation pre-incubated for 60 mins by LANCE Ultra assay
50001775	7	ChEMBL_1735963 (CHEMBL4151499)	Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assay
50001776	1	ChEMBL_1735976 (CHEMBL4151512)	Inhibition of NorA in Staphylococcus aureus SA-1199B expressing GrlA A116E mutant assessed as reduction in EtBr efflux incubated for 5 mins by fluorescence based assay
50001777	1	ChEMBL_1736046 (CHEMBL4151582)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accumulation assay
50001777	2	ChEMBL_1736056 (CHEMBL4151592)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells assessed as enhancement of MX-induced cytotoxicity at 1 uM incubated for 72 hrs by MTT assay
50001777	3	ChEMBL_1736059 (CHEMBL4151595)	Activation of ATPase activity of ABCG2 (unknown origin) expressed in High Five insect cell membranes by ascorbic acid ammonia molybdate reaction based colorimetry
50001777	4	ChEMBL_1736052 (CHEMBL4151588)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells overexpressing BCRP assessed as enhancement of SN-38-induced cytotoxicity incubated for 72 hrs by MTT assay
50001779	1	ChEMBL_1736098 (CHEMBL4151634)	Binding affinity to human TIE2
50001779	2	ChEMBL_1736074 (CHEMBL4151610)	Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay
50001779	3	ChEMBL_1736073 (CHEMBL4151609)	Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay
50001779	4	ChEMBL_1736072 (CHEMBL4151608)	Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay
50001779	5	ChEMBL_1736092 (CHEMBL4151628)	Binding affinity to human EPHA2
50001779	6	ChEMBL_1736096 (CHEMBL4151632)	Binding affinity to human LCK
50001779	7	ChEMBL_1736071 (CHEMBL4151607)	Binding affinity to human TrkC
50001779	8	ChEMBL_1736075 (CHEMBL4151611)	Binding affinity to human DDR1
50001779	9	ChEMBL_1736076 (CHEMBL4151612)	Binding affinity to human DDR2
50001779	10	ChEMBL_1736093 (CHEMBL4151629)	Binding affinity to human EPHA7
50001779	11	ChEMBL_1736094 (CHEMBL4151630)	Binding affinity to human EPHA8
50001779	12	ChEMBL_1736095 (CHEMBL4151631)	Binding affinity to human EPHB2
50001779	13	ChEMBL_1736097 (CHEMBL4151633)	Binding affinity to human LOK
50001779	14	ChEMBL_1736099 (CHEMBL4151635)	Binding affinity to human TrkA
50001779	15	ChEMBL_1736091 (CHEMBL4151627)	Inhibition of TrkC (unknown origin) by TR-FRET based LANCE ULTRA kinase assay
50001779	16	ChEMBL_1736090 (CHEMBL4151626)	Inhibition of TrkB (unknown origin) by TR-FRET based LANCE ULTRA kinase assay
50001779	17	ChEMBL_1736070 (CHEMBL4151606)	Binding affinity to human TrkB
50001780	1	ChEMBL_1736126 (CHEMBL4151662)	Inhibition of GSK3beta (unknown origin) using GS-2 peptide substrate incubated for 30 mins by kinase-Glo luminescent assay
50001780	2	ChEMBL_1736127 (CHEMBL4151663)	Inhibition of GSK3beta (unknown origin) pre-incubated for 30 mins followed by ULight-GS (Ser641/pSer657) peptide substrate addition and measured after 1 hr by TR-FRET assay
50001781	1	ChEMBL_1736154 (CHEMBL4151690)	Inhibition of CYP3A4 in in human liver microsomes in presence of NADPH regeneration mixture using luciferin IPA-OH substrate by P450-Glo assay
50001781	2	ChEMBL_1736148 (CHEMBL4151684)	Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry
50001781	3	ChEMBL_1736165 (CHEMBL4151701)	Inhibition of human ERG
50001783	1	ChEMBL_1736168 (CHEMBL4151704)	Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 0.5 hrs
50001783	2	ChEMBL_1736169 (CHEMBL4151705)	Displacement of [3H]ZM241385 human A2AR (1 to 316 residues) expressed in Pichia pastoris SMD1168 cell membranes incubated for 3 hrs
50001783	3	ChEMBL_1736176 (CHEMBL4151712)	Photoaffinity labelling of purified human A2AR (1 to 316 residues) by SDS-PAGE analaysis
50001786	1	ChEMBL_1736211 (CHEMBL4151747)	Binding affinity to ERalpha (unknown origin)
50001786	2	ChEMBL_1736208 (CHEMBL4151744)	Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal dextran-treated FBS incubated for 4 hrs by SP1 and anti-ER rabbit monocolnal antibody based in-cell Western assay
50001789	1	ChEMBL_1736240 (CHEMBL4151776)	Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP incubated for 30 mins by phosphorimage based assay
50001790	1	ChEMBL_1736255 (CHEMBL4151791)	Agonist activity at human GR expressed in CHO-K1 cells incubated for 20 hrs by luciferase reporter gene assay
50001790	2	ChEMBL_1736257 (CHEMBL4151793)	Agonist activity at AR (unknown origin) expressed in human LNCaP cells incubated for 20 hrs by luciferase reporter gene assay
50001790	3	ChEMBL_1736291 (CHEMBL4151827)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50001790	4	ChEMBL_1736254 (CHEMBL4151790)	Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase reporter gene assay
50001790	5	ChEMBL_1736305 (CHEMBL4151841)	Antagonist activity at GR in rat PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method
50001790	6	ChEMBL_1736310 (CHEMBL4151846)	Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method
50001790	7	ChEMBL_1736293 (CHEMBL4151829)	Inhibition of CYP2C9 (unknown origin) using midazolam as substrate
50001790	8	ChEMBL_1736307 (CHEMBL4151843)	Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method
50001790	9	ChEMBL_1736292 (CHEMBL4151828)	Inhibition of CYP2C8 (unknown origin) using midazolam as substrate
50001790	10	ChEMBL_1736295 (CHEMBL4151831)	Antagonist activity at human PR expressed in CHO-K1 cells assessed as reduction in progesterone-induced response incubated for 20 hrs by luciferase reporter gene assay
50001790	11	ChEMBL_1736302 (CHEMBL4151838)	Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method
50001790	12	ChEMBL_1736303 (CHEMBL4151839)	Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method
50001790	13	ChEMBL_1736304 (CHEMBL4151840)	Antagonist activity at GR in rat PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method
50001790	14	ChEMBL_1736306 (CHEMBL4151842)	Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method
50001790	15	ChEMBL_1736311 (CHEMBL4151847)	Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method
50001790	16	ChEMBL_1736313 (CHEMBL4151849)	Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method
50001790	17	ChEMBL_1736312 (CHEMBL4151848)	Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method
50001790	18	ChEMBL_1736259 (CHEMBL4151795)	Antagonist activity at AR (unknown origin) expressed in human LNCaP cells assessed as reduction in R1881-induced response incubated for 20 hrs by luciferase reporter gene assay
50001791	1	ChEMBL_1736321 (CHEMBL4151857)	Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regenerative NADH consuming assay
50001792	1	ChEMBL_1736349 (CHEMBL4151885)	Inverse agonist activity at biotinylated HN-Avi-MBP-TCS-human RORgammat (258 to 518 residues) assessed as inhibition of biotinylated SRC-1 peptide NCOA1 (677 to 700 residues) recruitment incubated with coactivator peptide 15 mins before enzyme addition and further incubated for 1 hr by HTRF-FRET assay
50001792	2	ChEMBL_1736391 (CHEMBL4151927)	Inverse agonist activity at His6-tcs-human RORalpha LBD assessed as inhibition of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment incubated for 1 hr by HTRF-FRET assay
50001792	3	ChEMBL_1736348 (CHEMBL4151884)	Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat (258 to 518 residues) incubated for 16 hrs by scintillation proximity assay
50001792	4	ChEMBL_1736390 (CHEMBL4151926)	Agonist activity at His6-tcs-human RORalpha LBD assessed as stimulation of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment incubated for 1 hr by HTRF-FRET assay
50001792	5	ChEMBL_1736351 (CHEMBL4151887)	Inverse agonist activity at RORgammat in human TH17 cells assessed as inhibition of IL17 release incubated for 4 days by HTRF assay
50001792	6	ChEMBL_1736392 (CHEMBL4151928)	Displacement of [3H]ATRA from 6H-AVI-GST-TEV-human RORbeta (T221 to K470 residues) pre-incubated for 30 mins before [3H]ATRA addition and measurted ater 18 to 23 hrs by scintillation proximity assay
50001793	1	ChEMBL_1736401 (CHEMBL4151937)	Inhibition of human COX2 pre-incubated for 10 mins before arachidonic acid addition and measured after 2 mins by EIA method
50001793	2	ChEMBL_1736400 (CHEMBL4151936)	Inhibition of ovine COX1 pre-incubated for 10 mins before arachidonic acid addition and measured after 2 mins by EIA method
50001793	3	ChEMBL_1736412 (CHEMBL4151948)	Inhibition of 5-LOX (unknown origin)
50001794	1	ChEMBL_1736427 (CHEMBL4151963)	Binding affinity to APC protein (303 to 739 residues) (unknown origin) incubated for 60 mins followed by probe addition and measured after 60 mins by competitive fluorescence polarization assay
50001794	2	ChEMBL_1736437 (CHEMBL4151973)	Binding affinity to APC (unknown origin) at 37 degC by ITC method
50001794	3	ChEMBL_1736436 (CHEMBL4151972)	Binding affinity to APC (unknown origin) at 30 degC by ITC method
50001794	4	ChEMBL_1736431 (CHEMBL4151967)	Binding affinity to His-tagged APC (unknown origin) by surface plasmon resonance assay
50001795	1	ChEMBL_1736458 (CHEMBL4151994)	Binding affinity to Texas Red-labelled CXCL12 (unknown origin) assessed as inhibition of CXCL12-Texas Red binding to EGFP-labeled human CXCR4 expressed in HEK293 cell membranes pre-incubated for 1 hr by FRET-based binding assay
50001795	2	ChEMBL_1736474 (CHEMBL4152010)	Binding affinity to CXCL12 (unknown origin) assessed as changes in tryptophan fluorescence intensity
50001796	1	ChEMBL_1736563 (CHEMBL4152099)	Inhibition of human recombinant HDAC6 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay
50001796	2	ChEMBL_1736562 (CHEMBL4152098)	Inhibition of human recombinant HDAC1 incubated for 90 mins using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC) by fluorescence based assay
50001797	1	ChEMBL_1736592 (CHEMBL4152128)	Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 domain ETGE motif by fluorescence anisotropy assay
50001797	2	ChEMBL_1736593 (CHEMBL4152129)	Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assay
50001799	1	ChEMBL_1736661 (CHEMBL4152411)	Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by mmLDL stimulation measured after 2 hrs by HPLC method
50001800	1	ChEMBL_1736783 (CHEMBL4152533)	Inhibition of 5-LOX (unknown origin)
50001800	2	ChEMBL_1736784 (CHEMBL4152534)	Inhibition of COX2 (unknown origin)
50001801	1	ChEMBL_1736785 (CHEMBL4152535)	Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measured after 1 min by RP-HPLC method
50001801	2	ChEMBL_1736794 (CHEMBL4152544)	Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 5 mins by HPLC analysis
50001801	3	ChEMBL_1736792 (CHEMBL4152542)	Inhibition of mPGES1 in human A549 cell microsomes
50001801	4	ChEMBL_1736795 (CHEMBL4152545)	Inhibition of mPGES1 (unknown origin) assessed as reduction in conversion of PGH to PGE2
50001802	1	ChEMBL_1736931 (CHEMBL4152681)	Displacement of [3H]NECA from recombinant human adenosine A2A receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counting analysis
50001802	2	ChEMBL_1736933 (CHEMBL4152683)	Displacement of [3H]NECA from recombinant human adenosine A3 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counting analysis
50001802	3	ChEMBL_1736932 (CHEMBL4152682)	Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity after 20 mins by [alpha-32P]ATP assay
50001802	4	ChEMBL_1736937 (CHEMBL4152687)	Antagonist activity at recombinant human adenosine A1 receptor transfected in CHO cells assessed as inhibition of CCPA-induced cAMP accumulation preincubated for 10 mins followed by CCPA addition by GloSensor cAMP assay
50001802	5	ChEMBL_1736930 (CHEMBL4152680)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor transfected in CHO cell membranes after 3 hrs by microbeta scintillation counting analysis
50001803	1	ChEMBL_1736976 (CHEMBL4152726)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate after 1 hr by Kinase-Glo luminescent kinase assay
50001804	1	ChEMBL_1737080 (CHEMBL4152830)	Binding affinity to wild-type human partial length ALK (I1088 to E1409 residues) expressed in mammalian expression system by KINOMEscan assay
50001805	1	ChEMBL_1737125 (CHEMBL4152875)	Inhibition of TEC (unknown origin)
50001805	2	ChEMBL_1737132 (CHEMBL4152882)	Inhibition of EGFR exon 19 deletion and L858R mutant phosphorylation in human NCI-H1975 cells
50001805	3	ChEMBL_1737124 (CHEMBL4152874)	Inhibition of BTK (unknown origin)
50001805	4	ChEMBL_1737128 (CHEMBL4152878)	Inhibition of ErbB4/HER4 (unknown origin)
50001805	5	ChEMBL_1737121 (CHEMBL4152871)	Inhibition of LYN (unknown origin) by FRET assay
50001805	6	ChEMBL_1737123 (CHEMBL4152873)	Inhibition of wild type EGFR phosphorylation in human H358 cells
50001805	7	ChEMBL_1737126 (CHEMBL4152876)	Inhibition of LYN (unknown origin)
50001805	8	ChEMBL_1737127 (CHEMBL4152877)	Inhibition of JAK (unknown origin)
50001805	9	ChEMBL_1737129 (CHEMBL4152879)	Inhibition of SLK (unknown origin)
50001805	10	ChEMBL_1737130 (CHEMBL4152880)	Inhibition of BMX (unknown origin)
50001805	11	ChEMBL_1737131 (CHEMBL4152881)	Inhibition of JAK3 (unknown origin)
50001805	12	ChEMBL_1737136 (CHEMBL4152886)	Binding affinity to RPS6KA3 (unknown origin)
50001805	13	ChEMBL_1737122 (CHEMBL4152872)	Inhibition of SYK (unknown origin) by FRET assay
50001805	14	ChEMBL_1737120 (CHEMBL4152870)	Inhibition of TEC (unknown origin) by FRET assay
50001805	15	ChEMBL_1737119 (CHEMBL4152869)	Inhibition of ITK (unknown origin) by FRET assay
50001805	16	ChEMBL_1737118 (CHEMBL4152868)	Inhibition of BTK (unknown origin) by FRET assay
50001805	17	ChEMBL_1737133 (CHEMBL4152883)	Inhibition of BTK (unknown origin) assessed as reduction in TNF production
50001806	1	ChEMBL_1737186 (CHEMBL4152936)	Inhibition of wild-type HIV1 reverse transcriptase assessed as decrease in digoxigenin and biotin-dUTP incorporation in to DNA using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA
50001808	1	ChEMBL_1737188 (CHEMBL4152938)	Inhibition of amyloid beta (1 to 42) (unknown origin) self-aggregation after 24 hrs by thioflavin-T fluorescence assay
50001809	1	ChEMBL_1737220 (CHEMBL4152970)	Inhibition of human transmembrane tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50001809	2	ChEMBL_1737219 (CHEMBL4152969)	Inhibition of human membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50001809	3	ChEMBL_1737218 (CHEMBL4152968)	Inhibition of human cytosolic carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50001809	4	ChEMBL_1737217 (CHEMBL4152967)	Inhibition of human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50001810	1	ChEMBL_1737276 (CHEMBL4153026)	Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assay
50001810	2	ChEMBL_1737308 (CHEMBL4153058)	Inhibition of bovine brain-derived acidic sphingomyelinase
50001811	1	ChEMBL_1737364 (CHEMBL4153114)	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG54 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis
50001811	2	ChEMBL_1737366 (CHEMBL4153116)	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced IL-8 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis
50001811	3	ChEMBL_1737369 (CHEMBL4153119)	Inhibition of BRD4 BD2 (unknown origin) after 1 hr by TR-FRET assay
50001811	4	ChEMBL_1737370 (CHEMBL4153120)	Inhibition of BRD2 BD1 (unknown origin) after 1 hr by TR-FRET assay
50001811	5	ChEMBL_1737372 (CHEMBL4153122)	Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay
50001811	6	ChEMBL_1737375 (CHEMBL4153125)	Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay
50001811	7	ChEMBL_1737365 (CHEMBL4153115)	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced ISG56 RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis
50001811	8	ChEMBL_1737367 (CHEMBL4153117)	Inhibition of BRD4 in human SAE cells assessed as reduction in TLR3 agonist poly(I:C) -induced grobeta RNA expression preincubated for 24 hrs followed by poly(I:C) addition and measured after 4 hrs by SYBR green dye-based qRT-PCR analysis
50001811	9	ChEMBL_1737368 (CHEMBL4153118)	Inhibition of BRD4 BD1 (unknown origin) after 1 hr by TR-FRET assay
50001811	10	ChEMBL_1737371 (CHEMBL4153121)	Inhibition of BRD2 BD2 (unknown origin) after 1 hr by TR-FRET assay
50001811	11	ChEMBL_1737374 (CHEMBL4153124)	Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay
50001811	12	ChEMBL_1737373 (CHEMBL4153123)	Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay
50001811	13	ChEMBL_1737376 (CHEMBL4153126)	Inhibition of CBP (unknown origin) after 1 hr by TR-FRET assay
50001812	1	ChEMBL_1737496 (CHEMBL4153246)	Antagonist activity at human P2X7 receptor in expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake
50001812	2	ChEMBL_1737459 (CHEMBL4153209)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake after 2 hrs by fluorescence assay relative to control
50001812	3	ChEMBL_1737460 (CHEMBL4153210)	Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP stimulation for 30 mins by ELISA
50001812	4	ChEMBL_1737465 (CHEMBL4153215)	Antagonist activity at human P2X2 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay
50001812	5	ChEMBL_1737468 (CHEMBL4153218)	Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay
50001812	6	ChEMBL_1737471 (CHEMBL4153221)	Antagonist activity at P2X1 receptor in rat vas deferens assessed as inhibition of alphabeta me-ATP-induced response
50001812	7	ChEMBL_1737463 (CHEMBL4153213)	Antagonist activity at human P2X1 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay
50001812	8	ChEMBL_1737467 (CHEMBL4153217)	Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay
50001812	9	ChEMBL_1737472 (CHEMBL4153222)	Antagonist activity at wild type His6 tagged rat P2X1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of alphabeta-me ATP-induced calcium flux at -60 mV holding potential by two electrode voltage clamp method
50001812	10	ChEMBL_1737497 (CHEMBL4153247)	Antagonist activity at P2X7 in LPS/IFN gamma differentiated human THP-1 cells
50001812	11	ChEMBL_1737473 (CHEMBL4153223)	Antagonist activity at P2X3 receptor in rat DRG neurons at -70 mV holding potential by whole cell patch clamp method
50001812	12	ChEMBL_1737474 (CHEMBL4153224)	Antagonist activity at human P2X4 receptor expressed in CHO cells
50001813	1	ChEMBL_1737505 (CHEMBL4153255)	Displacement of [3H]diprenorphine from human DOR expressed in African green monkey COS1 cell membranes incubated for 1 hr by scintillation counting method
50001813	2	ChEMBL_1737504 (CHEMBL4153254)	Displacement of [3H]diprenorphine from human MOR expressed in African green monkey COS1 cell membranes incubated for 1 hr by scintillation counting method
50001815	1	ChEMBL_1737561 (CHEMBL4153311)	Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by ADPH probe-based fluorescence assay
50001816	1	ChEMBL_1737607 (CHEMBL4153357)	Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay
50001816	2	ChEMBL_1737609 (CHEMBL4153359)	Inhibition of Aurora-B autophosphorylation at Thr232 in human HCT116 cells after 1 hr by Western blot analysis
50001816	3	ChEMBL_1737606 (CHEMBL4153356)	Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminescence assay
50001816	4	ChEMBL_1737608 (CHEMBL4153358)	Inhibition of Aurora-A autophosphorylation at Thr288 in human HCT116 cells after 1 hr by Western blot analysis
50001817	1	ChEMBL_1737649 (CHEMBL4153399)	Displacement of [3H]-Rauwolscine from human adrenergic alpha2B receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	2	ChEMBL_1737651 (CHEMBL4153401)	Displacement of [3H]-Rauwolscine from human adrenergic alpha2C receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation counting method
50001817	3	ChEMBL_1737645 (CHEMBL4153395)	Displacement of [3H]-Prazosin from human adrenergic alpha1D receptor after 90 mins by microbeta scintillation counting method
50001817	4	ChEMBL_1737672 (CHEMBL4153422)	Displacement of [125I]-iodoaminopotentidine from human histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	5	ChEMBL_1737674 (CHEMBL4153424)	Displacement of [3H]-alpha-methylhistamine from human histamine H3 receptor expressed in HEK Flp-In cells after 90 mins by microbeta scintillation counting method
50001817	6	ChEMBL_1737620 (CHEMBL4153370)	Displacement of [3H]-Pentazocine from sigma1 receptor in guinea pig brain membrane by microbeta scintillation counting method
50001817	7	ChEMBL_1737670 (CHEMBL4153420)	Displacement of [3H]-Pyrilamine from human histamine H1 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	8	ChEMBL_1737621 (CHEMBL4153371)	Displacement of [3H]-ditolylguanidine from sigma2 receptor in rat PC12 cells by microbeta scintillation counting method
50001817	9	ChEMBL_1737663 (CHEMBL4153413)	Displacement of [3H]-N-methylspiperone from human dopamine D4 expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	10	ChEMBL_1737680 (CHEMBL4153430)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001817	11	ChEMBL_1737647 (CHEMBL4153397)	Displacement of [3H]-Rauwolscine from human adrenergic alpha2A receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation counting method
50001817	12	ChEMBL_1737666 (CHEMBL4153416)	Displacement of [3H]-Win35428 from human DAT expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	13	ChEMBL_1737686 (CHEMBL4153436)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M5 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001817	14	ChEMBL_1737623 (CHEMBL4153373)	Displacement of [3H]-WAY100635 from human 5-HT1A receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001817	15	ChEMBL_1737625 (CHEMBL4153375)	Displacement of [3H]-5-CT from human 5-HT1B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	16	ChEMBL_1737627 (CHEMBL4153377)	Displacement of [3H]-5-HT from human 5-HT1E receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	17	ChEMBL_1737630 (CHEMBL4153380)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	18	ChEMBL_1737632 (CHEMBL4153382)	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	19	ChEMBL_1737634 (CHEMBL4153384)	Displacement of [3H]-Mesulergine from human 5-HT2C receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	20	ChEMBL_1737637 (CHEMBL4153387)	Displacement of [3H]-LSD from human 5-HT5A receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting method
50001817	21	ChEMBL_1737641 (CHEMBL4153391)	Displacement of [3H]-Prazosin from human adrenergic alpha1A receptor after 90 mins by microbeta scintillation counting method
50001817	22	ChEMBL_1737643 (CHEMBL4153393)	Displacement of [3H]-Prazosin from human adrenergic alpha1B receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	23	ChEMBL_1737682 (CHEMBL4153432)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M3 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001817	24	ChEMBL_1737689 (CHEMBL4153439)	Displacement of [3H]-Nisoxetine from human NET receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	25	ChEMBL_1737691 (CHEMBL4153441)	Displacement of [3H]-PK11195 from PBR receptor in rat brain after 90 mins by microbeta scintillation counting method
50001817	26	ChEMBL_1737693 (CHEMBL4153443)	Displacement of [3H]-Citalopram from human SERT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	27	ChEMBL_1737653 (CHEMBL4153403)	Displacement of [3H]-Pindolol from human adrenergic beta1 receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting method
50001817	28	ChEMBL_1737660 (CHEMBL4153410)	Displacement of [3H]-N-methylspiperone from human dopamine D3 expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	29	ChEMBL_1737676 (CHEMBL4153426)	Displacement of [3H]-U69593 from human KOR expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50001817	30	ChEMBL_1737678 (CHEMBL4153428)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M1 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001817	31	ChEMBL_1737658 (CHEMBL4153408)	Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50001817	32	ChEMBL_1737684 (CHEMBL4153434)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M4 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50001818	1	ChEMBL_1737877 (CHEMBL4153627)	Inhibition of yeast GCN5 (99 to 262 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by biotin tagged H3 peptide ( 1 to 23 residues) and [3H]-Ac-CoA addition and measured after 60 mins by radioactive acetylation assay
50001818	2	ChEMBL_1737878 (CHEMBL4153628)	Binding affinity to yeast GCN5 (99 to 262 residues) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50001818	3	ChEMBL_1737903 (CHEMBL4153653)	Inhibition of GCN5 (unknown origin)
50001818	4	ChEMBL_1737904 (CHEMBL4153654)	Inhibition of tetrahymena GCN5 (48 to 210 residues)
50001819	1	ChEMBL_1737950 (CHEMBL4153700)	Inhibition of recombinant TDP1 (unknown origin) using 5'-[32P]-labeled N14Y as substrate after 15 mins by PAGE analysis
50001819	2	ChEMBL_1737948 (CHEMBL4153698)	Inhibition of human TDP2 expressed in TDP2 deficient chicken DT40 whole cell extracts using TY19 DNA as substrate after 15 mins by by PAGE analysis
50001819	3	ChEMBL_1737947 (CHEMBL4153697)	Inhibition of recombinant human TDP2 using TY18 (alpha-[32P]-cordycepin-3'-labeled) as substrate after 15 mins by PAGE analysis
50001820	1	ChEMBL_1737958 (CHEMBL4153708)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis
50001820	2	ChEMBL_1737956 (CHEMBL4153706)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis
50001820	3	ChEMBL_1737957 (CHEMBL4153707)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis
50001821	1	ChEMBL_1738021 (CHEMBL4153771)	Inhibition of ATR in human HT29 cells assessed as decrease in Chk1 phosphorylation at Ser 345 preincubated for 1 hr followed by 4NQO addition and measured after 1 hr by Hoechst 33342 dye-based immunofluorescence assay
50001821	2	ChEMBL_1738020 (CHEMBL4153770)	Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by Hoechst 33342 dye-based immunofluorescence assay
50001821	3	ChEMBL_1738026 (CHEMBL4153776)	Inhibition of human ERG by electrophysiology assay
50001821	4	ChEMBL_1738055 (CHEMBL4153805)	Inhibition of human PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system
50001821	5	ChEMBL_1738056 (CHEMBL4153806)	Inhibition of human PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system
50001821	6	ChEMBL_1738057 (CHEMBL4153807)	Inhibition of human PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system
50001821	7	ChEMBL_1738058 (CHEMBL4153808)	Inhibition of human PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system
50001821	8	ChEMBL_1738061 (CHEMBL4153811)	Inhibition of ATM (unknown origin) using p53 as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by HTRF assay
50001821	9	ChEMBL_1738062 (CHEMBL4153812)	Inhibition of m-TOR in human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at Ser 473 after 2 hrs by immunofluorescence assay
50001821	10	ChEMBL_1738063 (CHEMBL4153813)	Inhibition of human PI3Kalpha in human BT474 cells assessed as decrease in AKT phosphorylation at T308 after 2 hrs by ELISA
50001821	11	ChEMBL_1738015 (CHEMBL4153765)	Inhibition of ATM derived from human HeLa cell nuclear extract using glutathione S-transferase p53N66 as substrate preincubated for 10 mins followed by ATP addition and subsequent incubation for 1 hr measured after 1.5 hrs by ELISA
50001821	12	ChEMBL_1738048 (CHEMBL4153798)	Inhibition of human CYP3A4
50001821	13	ChEMBL_1738049 (CHEMBL4153799)	Inhibition of human CYP2D6
50001821	14	ChEMBL_1738050 (CHEMBL4153800)	Inhibition of human CYP2C9
50001821	15	ChEMBL_1738051 (CHEMBL4153801)	Inhibition of human CYP1A2
50001821	16	ChEMBL_1738052 (CHEMBL4153802)	Inhibition of human CYP2C19
50001821	17	ChEMBL_1738053 (CHEMBL4153803)	Inhibition of DNA-PK (unknown origin)
50001821	18	ChEMBL_1738054 (CHEMBL4153804)	Inhibition of human m-TOR (L1382 to W2549 residues) expressed in mammalian expression system
50001822	1	ChEMBL_1738089 (CHEMBL4153839)	Inhibition of recombinant human carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow assay
50001822	2	ChEMBL_1738088 (CHEMBL4153838)	Inhibition of recombinant human carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow assay
50001822	3	ChEMBL_1738090 (CHEMBL4153840)	Inhibition of recombinant human carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow assay
50001822	4	ChEMBL_1738087 (CHEMBL4153837)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red based stopped-flow assay
50001823	1	ChEMBL_1738160 (CHEMBL4153910)	Inhibition of CHK1 (unknown origin) using Cdc25 peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by ADP-Glo kinase assay
50001824	1	ChEMBL_1738190 (CHEMBL4153940)	Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in presence of FMN/FAD by liquid scintillation counting method
50001824	2	ChEMBL_1738191 (CHEMBL4153941)	Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in presence of FMN/FAD by liquid scintillation counting method
50001824	3	ChEMBL_1738193 (CHEMBL4153943)	Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in presence of FMN/FAD by liquid scintillation counting method
50001825	1	ChEMBL_1738228 (CHEMBL4153978)	Inhibition of IL-5 in mouse Y16 cells assessed as reduction in cell proliferation after 48 hrs by WST-1 assay
50001826	1	ChEMBL_1738229 (CHEMBL4153979)	Inhibition of recombinant ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50001826	2	ChEMBL_1738230 (CHEMBL4153980)	Inhibition of FITC-labeled geldanamycin binding to recombinant HSP90alpha (unknown origin) after 1 hr by fluorescence polarization assay
50001826	3	ChEMBL_1738232 (CHEMBL4153982)	Inhibition of ALK L1196M mutant (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50001826	4	ChEMBL_1738233 (CHEMBL4153983)	Inhibition of ALK G1202R mutant (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA
50001828	1	ChEMBL_1738290 (CHEMBL4154040)	Binding affinity to 15N-labeled T-p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C41 by HSQC-NMR analysis
50001828	2	ChEMBL_1738289 (CHEMBL4154039)	Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C41 by ITC
50001828	3	ChEMBL_1738283 (CHEMBL4154033)	Binding affinity to p53 Y220C mutant (unknown origin)
50001829	1	ChEMBL_1738553 (CHEMBL4154303)	Inhibition of human Top1B expressed in Top1B deficient Saccharomyces cerevisiae EKY3 assessed as decrease in relaxation of supercoiled pSK DNA preincubated for 15 mins followed by DNA addition and measured after 1 to 16 mins by agarose gel electrophoresis
50001830	1	ChEMBL_1738556 (CHEMBL4154306)	Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated with cells followed by forskolin addition measured after 10 mins by luminescence assay
50001831	1	ChEMBL_1738572 (CHEMBL4154322)	Inhibition of N-terminal His10-tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21 using D,L-glyceraldehyde as substrate pretreated for 5 mins followed by substrate addition by spectrophotometric method
50001832	1	ChEMBL_1738576 (CHEMBL4154326)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in calcium mobilization by Fluo-8 dye based fluorescence assay
50001832	2	ChEMBL_1738582 (CHEMBL4154332)	Agonist activity at mouse GPR40
50001832	3	ChEMBL_1738581 (CHEMBL4154331)	Agonist activity at rat GPR40
50001833	1	ChEMBL_1738628 (CHEMBL4154378)	Agonist activity at human GPR109a expressed in HTLA cells assessed as increase in beta-arrestin2 recruitment after overnight incubation by Tango assay
50001833	2	ChEMBL_1738627 (CHEMBL4154377)	Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated with cells followed by forskolin addition measured after 10 mins by luminescence assay
50001834	1	ChEMBL_1738642 (CHEMBL4154392)	Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting method
50001834	2	ChEMBL_1738656 (CHEMBL4154406)	Inhibition of human H3 receptor
50001834	3	ChEMBL_1738657 (CHEMBL4154407)	Inhibition of human H4 receptor
50001835	1	ChEMBL_1738670 (CHEMBL4154420)	Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced channel currents by whole cell patch clamp electrophysiology method
50001835	2	ChEMBL_1738662 (CHEMBL4154412)	Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced channel currents treated extracellularly after 60 secs by whole cell patch clamp electrophysiology method
50001835	3	ChEMBL_1738671 (CHEMBL4154421)	Inhibition of human TRPM8 expressed in HEK293 cells assessed as reduction in H2O2-induced intracellular calcium flux after 30 mins by Fluo4-AM dye based fluorescence assay
50001835	4	ChEMBL_1738669 (CHEMBL4154419)	Inhibition of human TRPM2 expressed in HEK293 cells assessed as reduction in H2O2-induced intracellular calcium flux after 30 mins by Fluo4-AM dye based fluorescence assay
50001835	5	ChEMBL_1738672 (CHEMBL4154422)	Inhibition of human TRPM2 assessed as reduction in ADPR-induced channel currents by whole cell patch clamp electrophysiology method
50001836	1	ChEMBL_1738676 (CHEMBL4154426)	Inhibition of recombinant human N-terminal GST-His6-fused erbB4 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting method
50001836	2	ChEMBL_1738677 (CHEMBL4154427)	Inhibition of recombinant human N-terminal GST-His6-fused erbB2 expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting method
50001837	1	ChEMBL_1738682 (CHEMBL4154432)	Inhibition of His-tagged BRD4 bromodomain-1 (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by Alphascreen assay
50001837	2	ChEMBL_1738681 (CHEMBL4154431)	Inhibition of BRD4 (unknown origin) by Alphascreen assay
50001840	1	ChEMBL_1738746 (CHEMBL4154496)	Inhibition of recombinant human GST-tagged EGFR T790M/L858R double mutant expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001840	2	ChEMBL_1738745 (CHEMBL4154495)	Inhibition of recombinant human GST-tagged wild type EGFR expressed in baculovirus expression system using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50001841	1	ChEMBL_1738855 (CHEMBL4154605)	Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in beta-lactamse activity preincubated with organism followed by AIP addition measured after 45 mins by nitrocefin hydrolysis assay
50001842	1	ChEMBL_1738896 (CHEMBL4154646)	Inhibition of Staphylococcus aureus GyrB
50001842	2	ChEMBL_1738897 (CHEMBL4154647)	Inhibition of Staphylococcus aureus DNA gyrase
50001843	1	ChEMBL_1738899 (CHEMBL4154649)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortex membranes
50001843	2	ChEMBL_1738902 (CHEMBL4154652)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293 cell membranes
50001843	3	ChEMBL_1738905 (CHEMBL4154655)	Agonist activity at human alpha3beta4 nAChR expressed in rat GH4C1 cells assessed as inward channel current amplitude at -70 mV holding potential by whole cell electrophysiology method
50001843	4	ChEMBL_1738906 (CHEMBL4154656)	Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as inward channel current amplitude at -70 mV holding potential by whole cell electrophysiology method
50001843	5	ChEMBL_1738898 (CHEMBL4154648)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50001843	6	ChEMBL_1738900 (CHEMBL4154650)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat hippocampal membranes
50001844	1	ChEMBL_1739002 (CHEMBL4154752)	Binding affinity to Plasmodium falciparum HSP90 nucleotide binding domain by SPR analysis
50001847	1	ChEMBL_1739120 (CHEMBL4154870)	Inhibition of His6-tagged human BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) using biotinylated-H4KAc4 as substrate by AlphaScreen assay
50001847	2	ChEMBL_1739122 (CHEMBL4154872)	Inhibition of His6-tagged human CREBBP (R1081 to G1197 residues) expressed in Escherichia coli BL21(DE3) using biotinylated-H4KAc4 as substrate by AlphaScreen assay
50001847	3	ChEMBL_1739137 (CHEMBL4154887)	Binding affinity to His6-tagged human BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) by ITC
50001847	4	ChEMBL_1739117 (CHEMBL4154867)	Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay
50001847	5	ChEMBL_1739119 (CHEMBL4154869)	Inhibition of BRD4 bromodomain-1 (unknown origin) by FRET assay
50001848	1	ChEMBL_1739232 (CHEMBL4154982)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method
50001848	2	ChEMBL_1739233 (CHEMBL4154983)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Ellman's method
50001848	3	ChEMBL_1739235 (CHEMBL4154985)	Non-competitive inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50001849	1	ChEMBL_1739299 (CHEMBL4155049)	Inhibition of wild type EGFR (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50001849	2	ChEMBL_1739300 (CHEMBL4155050)	Inhibition of wild type EGFR T790M mutant (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50001849	3	ChEMBL_1739294 (CHEMBL4155044)	Inhibition of EGFR (unknown origin)
50001851	1	ChEMBL_1739334 (CHEMBL4155084)	Agonist activity at CXCR4 (unknown origin) expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by BRET assay
50001852	1	ChEMBL_1739339 (CHEMBL4155089)	Inhibition of recombinant human Pim1 expressed in bacterial expression system using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	2	ChEMBL_1739344 (CHEMBL4155094)	Inhibition of recombinant mouse CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	3	ChEMBL_1739341 (CHEMBL4155091)	Inhibition of human CDK2/CyclinA using histone H1 as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	4	ChEMBL_1739346 (CHEMBL4155096)	Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	5	ChEMBL_1739343 (CHEMBL4155093)	Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	6	ChEMBL_1739342 (CHEMBL4155092)	Inhibition of recombinant human CDK9/CyclinT expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001852	7	ChEMBL_1739340 (CHEMBL4155090)	Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50001853	1	ChEMBL_1739376 (CHEMBL4155126)	Inhibition of Staphylococcus aureus DNA gyrase B preincubated for 10 mins followed by ATP addition measured after 30 mins by purine nucleoside phosphorylase enzyme coupled spectrophotometric method
50001853	2	ChEMBL_1739367 (CHEMBL4155117)	Inhibition of Escherichia coli C-terminal His6-tagged DNA gyrase B expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by ATP addition measured after 30 mins by purine nucleoside phosphorylase enzyme coupled spectrophotometric method
50001853	3	ChEMBL_1739370 (CHEMBL4155120)	Antibacterial activity against Enterococcus faecalis
50001853	4	ChEMBL_1739372 (CHEMBL4155122)	Inhibition of Staphylococcus aureus DNA gyrase B
50001853	5	ChEMBL_1739369 (CHEMBL4155119)	Inhibition of Escherichia coli DNA gyrase B
50001854	1	ChEMBL_1739424 (CHEMBL4155174)	Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel electrophoresis
50001855	1	ChEMBL_1739431 (CHEMBL4155181)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins
50001855	2	ChEMBL_1739440 (CHEMBL4155190)	Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopic method
50001855	3	ChEMBL_1739432 (CHEMBL4155182)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins
50001855	4	ChEMBL_1739430 (CHEMBL4155180)	Inhibition of MAGL in human U937 cells using 2-OG containing [glycerol-1,2,3-3H]AEA as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by liquid scintillation spectroscopic method
50001855	5	ChEMBL_1739434 (CHEMBL4155184)	Agonist activity at human CB1 receptor expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS binding assay
50001855	6	ChEMBL_1739439 (CHEMBL4155189)	Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopic method
50001855	7	ChEMBL_1739438 (CHEMBL4155188)	Inhibition of FAAH in human U937 cells using AEA containing [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by liquid scintillation spectroscopic method
50001855	8	ChEMBL_1739436 (CHEMBL4155186)	Agonist activity at human CB2 receptor expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS binding assay
50001856	1	ChEMBL_1739460 (CHEMBL4155210)	Inhibition of NQO1 activity in human KBVIN cells incubated for 24 hrs measured every 20 secs for 5 mins
50001856	2	ChEMBL_1739459 (CHEMBL4155209)	Inhibition of NQO1 activity in human HeLaS3 cells incubated for 24 hrs measured every 20 secs for 5 mins
50001858	1	ChEMBL_1739477 (CHEMBL4155227)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001858	2	ChEMBL_1739478 (CHEMBL4155228)	Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001858	3	ChEMBL_1739479 (CHEMBL4155229)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001858	4	ChEMBL_1739476 (CHEMBL4155226)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50001859	1	ChEMBL_1739483 (CHEMBL4155233)	Antagonist activity at human TLR4 expressed in HEK blue cells coexpressing MD-2/CD14 assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP production after 24 hrs
50001861	1	ChEMBL_1739547 (CHEMBL4155297)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured for 15 mins by fluorescence assay
50001861	2	ChEMBL_1739548 (CHEMBL4155298)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant using MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured for 15 mins by fluorescence assay
50001862	1	ChEMBL_1739641 (CHEMBL4155391)	Inhibition of human carbonic anhydrase 9 expressed in Escherichia coli BL21 D3 strain using p-nitrophenyl acetate as substrate by UV/visible spectrophotometry
50001862	2	ChEMBL_1739642 (CHEMBL4155392)	Inhibition of human carbonic anhydrase 2 expressed in Escherichia coli BL21 D3 strain using p-nitrophenyl acetate as substrate by UV/visible spectrophotometry
50001863	1	ChEMBL_1739692 (CHEMBL4155442)	Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
50001863	2	ChEMBL_1739691 (CHEMBL4155441)	Antagonist activity at Smo receptor (unknown origin)
50001866	1	ChEMBL_1739694 (CHEMBL4155444)	Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by Ellman's method
50001866	2	ChEMBL_1739695 (CHEMBL4155445)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by Ellman's method
50001866	3	ChEMBL_1739697 (CHEMBL4155447)	Inhibition of human AChE
50001866	4	ChEMBL_1739699 (CHEMBL4155449)	Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50001866	5	ChEMBL_1739700 (CHEMBL4155450)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50001866	6	ChEMBL_1739701 (CHEMBL4155451)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mins by Ellman's method
50001866	7	ChEMBL_1739702 (CHEMBL4155452)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mins by Ellman's method
50001866	8	ChEMBL_1739705 (CHEMBL4155455)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50001866	9	ChEMBL_1739706 (CHEMBL4155456)	Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis
50001866	10	ChEMBL_1739710 (CHEMBL4155460)	Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after 90 mins by fluorescence assay
50001866	11	ChEMBL_1739704 (CHEMBL4155454)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Ellman's method
50001867	1	ChEMBL_1739715 (CHEMBL4155465)	Binding affinity to recombinant 17beta-HSD14 (unknown origin) expressed in Escherichia coli BL21 pLysS strain using E2 as substrate in presence of NAD measured continuously for 15 mins by fluorimetric method
50001868	1	ChEMBL_1739734 (CHEMBL4155484)	Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE9A2 expressed in baculovirus infected Sf9 cells using cGMP as substrate pretreated for 10 mins followed by substrate addition and measured after 60 mins by kinase-Glo luminescence assay
50001868	2	ChEMBL_1739735 (CHEMBL4155485)	Inhibition of Ca2+/calmodulin-induced full-length recombinant human N-terminal GST-tagged PDE1C expressed in baculovirus infected Sf9 insect cells using cAMP as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by kinase-Glo luminescence assay
50001868	3	ChEMBL_1739747 (CHEMBL4155497)	Inhibition of PDE10 (unknown origin)
50001868	4	ChEMBL_1739729 (CHEMBL4155479)	Inhibition of Ca2+/calmodulin-induced recombinant human full length N-terminal GST-tagged PDE10A1 expressed in baculovirus infected Sf9 cells using cAMP as substrate pretreated for 10 mins followed by substrate addition and measured after 40 mins by kinase-Glo luminescence assay
50001869	1	ChEMBL_1739750 (CHEMBL4155500)	Inhibition of dephosphorylated Acanthamoeba non muscle myosin 2 by NADH-coupled spectrophotometric analysis
50001869	2	ChEMBL_1739759 (CHEMBL4155509)	Inhibition of fruit fly non-muscle myosin 2
50001869	3	ChEMBL_1739763 (CHEMBL4155513)	Inhibition of bovine myosin x by NADH-coupled spectrophotometric analysis
50001869	4	ChEMBL_1739749 (CHEMBL4155499)	Inhibition of RLC-phosphorylated Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled spectrophotometric analysis
50001869	5	ChEMBL_1739770 (CHEMBL4155520)	Inhibition of Dictyostelium discoideum myosin 2 ATPase activity
50001869	6	ChEMBL_1739771 (CHEMBL4155521)	Inhibition of Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled assay
50001869	7	ChEMBL_1739751 (CHEMBL4155501)	Inhibition of human non-muscle myosin 2a
50001869	8	ChEMBL_1739752 (CHEMBL4155502)	Inhibition of human non-muscle myosin 2b
50001869	9	ChEMBL_1739753 (CHEMBL4155503)	Inhibition of chicken non-muscle myosin 2b by NADH-coupled spectrophotometric analysis
50001869	10	ChEMBL_1739754 (CHEMBL4155504)	Inhibition of mouse non-muscle myosin 2c
50001869	11	ChEMBL_1739757 (CHEMBL4155507)	Inhibition of rabbit skeletal muscle myosin 2
50001869	12	ChEMBL_1739758 (CHEMBL4155508)	Inhibition of pig beta cardiac myosin 2 by NADH-coupled spectrophotometric analysis
50001869	13	ChEMBL_1739760 (CHEMBL4155510)	Inhibition of rat myosin 1b by NADH-coupled spectrophotometric analysis
50001869	14	ChEMBL_1739761 (CHEMBL4155511)	Inhibition of dephosphorylated Acanthamoeba muscle myosin 1c by NADH-coupled spectrophotometric analysis
50001869	15	ChEMBL_1739762 (CHEMBL4155512)	Inhibition of mouse myosin 5a by NADH-coupled spectrophotometric analysis
50001869	16	ChEMBL_1739764 (CHEMBL4155514)	Inhibition of human myosin 15 by NADH-coupled spectrophotometric analysis
50001869	17	ChEMBL_1739766 (CHEMBL4155516)	Inhibition of human myosin 2a ATPase activity
50001871	1	ChEMBL_1739898 (CHEMBL4155648)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every min for 10 mins by Ellman's method
50001871	2	ChEMBL_1739899 (CHEMBL4155649)	Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate by Ellman's method
50001873	1	ChEMBL_1739972 (CHEMBL4155722)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50001873	2	ChEMBL_1739967 (CHEMBL4155717)	Inhibition of full length human PAK4 using substrate S2 after 60 mins by HTRF assay
50001873	3	ChEMBL_1739970 (CHEMBL4155720)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50001873	4	ChEMBL_1739971 (CHEMBL4155721)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50001873	5	ChEMBL_1739973 (CHEMBL4155723)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50001873	6	ChEMBL_1739974 (CHEMBL4155724)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50001874	1	ChEMBL_1740024 (CHEMBL4155774)	Inhibition of recombinant human His-tagged VEGFR2 cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system by Z'-Lyte assay
50001874	2	ChEMBL_1740022 (CHEMBL4155772)	Inhibition of BRAF V600E mutant (unknown origin) by Z'-Lyte assay
50001874	3	ChEMBL_1740071 (CHEMBL4155821)	Inhibition of wild-type BRAF (unknown origin)
50001874	4	ChEMBL_1740072 (CHEMBL4155822)	Inhibition of CRAF (unknown origin)
50001875	1	ChEMBL_1740105 (CHEMBL4155855)	Binding affinity to human recombinant DHFR using dihydrofolate as substrate after 180 secs by spectrophotometric method
50001876	1	ChEMBL_1740135 (CHEMBL4155885)	Inhibition of human FLT3 by Hotspot assay
50001876	2	ChEMBL_1740132 (CHEMBL4155882)	Inhibition of CDK6 (unknown origin) by Hotspot assay
50001876	3	ChEMBL_1740163 (CHEMBL4155913)	Inhibition of human FLT3 Y591-V592 mutant by Hotspot assay
50001876	4	ChEMBL_1740164 (CHEMBL4155914)	Binding affinity to human FLT3 D835Y mutant (Q580 to Y969 residues) expressed in bacterial expression system by Kinomescan method
50001876	5	ChEMBL_1740166 (CHEMBL4155916)	Binding affinity to human FLT3 ITD/F691L double mutant expressed in bacterial expression system by Kinomescan method
50001876	6	ChEMBL_1740154 (CHEMBL4155904)	Inhibition of human CDK4/Cyclin-D1 at 0.123 uM by Hotspot assay
50001876	7	ChEMBL_1740157 (CHEMBL4155907)	Inhibition of human FLT3 D835Y mutant by Hotspot assay
50001876	8	ChEMBL_1740145 (CHEMBL4155895)	Inhibition of human FLT1 by Hotspot assay
50001876	9	ChEMBL_1740146 (CHEMBL4155896)	Inhibition of human KDR by Hotspot assay
50001876	10	ChEMBL_1740147 (CHEMBL4155897)	Inhibition of human FLT4 by Hotspot assay
50001876	11	ChEMBL_1740153 (CHEMBL4155903)	Inhibition of human CDK2/Cyclin-A at 0.123 uM by Hotspot assay
50001876	12	ChEMBL_1740155 (CHEMBL4155905)	Inhibition of human CDK6/Cyclin-D1 at 0.123 uM by Hotspot assay
50001876	13	ChEMBL_1740156 (CHEMBL4155906)	Inhibition of human ERK7 at 0.123 uM by Hotspot assay
50001876	14	ChEMBL_1740159 (CHEMBL4155909)	Inhibition of human FLT3 F594_R595insR mutant by Hotspot assay
50001876	15	ChEMBL_1740131 (CHEMBL4155881)	Inhibition of CDK2 (unknown origin) by Hotspot assay
50001876	16	ChEMBL_1740158 (CHEMBL4155908)	Inhibition of human FLT3 F594_R595insREY mutant by Hotspot assay
50001876	17	ChEMBL_1740160 (CHEMBL4155910)	Inhibition of human FLT3 ITD-NPOS mutant by Hotspot assay
50001876	18	ChEMBL_1740161 (CHEMBL4155911)	Inhibition of human FLT3 ITD-W51 mutant by Hotspot assay
50001876	19	ChEMBL_1740162 (CHEMBL4155912)	Inhibition of human FLT3 R595_E596 mutant by Hotspot assay
50001876	20	ChEMBL_1740165 (CHEMBL4155915)	Binding affinity to human FLT3 ITD/D835V double mutant expressed in bacterial expression system by Kinomescan method
50001877	1	ChEMBL_1740201 (CHEMBL4155951)	Antagonist activity at recombinant human GPR55 expressed in CHO cells assessed as inhibition of lysophosphatidylinositol-induced beta-arrestin recruitment preincubated for 60 mins followed by lysophosphatidylinositol addition for 90 mins measured for 1 sec by luminescence assay
50001877	2	ChEMBL_1740202 (CHEMBL4155952)	Agonist activity at recombinant human GPR55 expressed in CHO cells assessed as increase in beta-arrestin recruitment incubated for 60 mins measured for 1 sec by luminescence assay
50001877	3	ChEMBL_1740204 (CHEMBL4155954)	Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50001877	4	ChEMBL_1740199 (CHEMBL4155949)	Antagonist activity at recombinant human GPR18 expressed in CHO cells assessed as inhibition of delta9-THC-induced beta-arrestin recruitment preincubated for 60 mins followed by delta9-THC addition for 90 mins measured for 1 sec by luminescence assay
50001877	5	ChEMBL_1740200 (CHEMBL4155950)	Agonist activity at recombinant human GPR18 expressed in CHO cells assessed as increase in beta-arrestin recruitment incubated for 60 mins measured for 1 sec by luminescence assay
50001877	6	ChEMBL_1740203 (CHEMBL4155953)	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method
50001877	7	ChEMBL_1740206 (CHEMBL4155956)	Agonist activity at recombinant full length human GPR18 expressed in CHO cells assessed as forskolin-stimulated cAMP accumulation after 10 mins by enzyme immunoassay
50001877	8	ChEMBL_1740207 (CHEMBL4155957)	Agonist activity at recombinant human GPR18 expressed in HEK293 cells assessed as induction of p44/42 MAPK phosphorylation after 5 mins by Western blot analysis
50001878	1	ChEMBL_1740218 (CHEMBL4155968)	Inhibition of Staphylococcus aureus SA-1199B NorA assessed as reduction in EtBr efflux measured over 5 mins by fluorescence assay
50001880	1	ChEMBL_1740318 (CHEMBL4156068)	Binding affinity to human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50001880	2	ChEMBL_1740317 (CHEMBL4156067)	Binding affinity to human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50001880	3	ChEMBL_1740320 (CHEMBL4156070)	Binding affinity to human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50001880	4	ChEMBL_1740319 (CHEMBL4156069)	Binding affinity to human carbonic anhydrase 4 by stopped flow CO2 hydration assay
50001881	1	ChEMBL_1740323 (CHEMBL4156073)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting method
50001881	2	ChEMBL_1740324 (CHEMBL4156074)	Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50001881	3	ChEMBL_1740322 (CHEMBL4156072)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method
50001881	4	ChEMBL_1740326 (CHEMBL4156076)	Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50001881	5	ChEMBL_1740321 (CHEMBL4156071)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method
50001881	6	ChEMBL_1740325 (CHEMBL4156075)	Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method
50001882	1	ChEMBL_1740335 (CHEMBL4156085)	Inhibition of firefly luciferase activity expressed in HEK293 cells after 18 hrs by luminescence assay
50001882	2	ChEMBL_1740334 (CHEMBL4156084)	Antagonist activity at GAL4-DBD fused human RORgamma LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50001883	1	ChEMBL_1740386 (CHEMBL4156136)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophotometric method
50001884	1	ChEMBL_1740415 (CHEMBL4156165)	Inhibition of human cationic trypsin using Boc-VPR-MCA as substrate measured every 30 secs for 10 mins
50001884	2	ChEMBL_1740417 (CHEMBL4156167)	Inhibition of bovine beta-trypsin using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins
50001884	3	ChEMBL_1740422 (CHEMBL4156172)	Inhibition of recombinant human matriptase using Boc-QAR-MCA as substrate measured every 30 secs for 10 mins
50001884	4	ChEMBL_1740423 (CHEMBL4156173)	Inhibition of human alpha thrombin using Boc-VPR-MCA as substrate measured every 30 secs for 10 mins
50001884	5	ChEMBL_1740424 (CHEMBL4156174)	Inhibition of bovine alpha-chymotrypsin using Suc-AAPF-MCA as substrate measured every 30 secs for 10 mins
50001884	6	ChEMBL_1740413 (CHEMBL4156163)	Competitive inhibition of recombinant human mesotrypsin using Z-GPR-MCA as substrate measured every 30 secs for 10 mins
50001885	1	ChEMBL_1740442 (CHEMBL4156192)	Inhibition of recombinant HIV1 integrase strand transfer activity using biotin-labeled double-stranded HIV-1 LTR U5 donor DNA substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins by ELISA
50001885	2	ChEMBL_1740441 (CHEMBL4156191)	Inhibition of HIV-1 BH10 reverse transcriptase RNase H activity expressed in Escherichia coli using [32P]-labeled template primer 31Trna/21P as substrate pretreated for 5 mins followed by substrate addition by polyacrylamide gel electrophoresis method
50001886	1	ChEMBL_1740512 (CHEMBL4156262)	Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin) expressed in Escherichia coli Transetta(DE3) using AcIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001886	2	ChEMBL_1740513 (CHEMBL4156263)	Inhibition of recombinant human N-terminal His6-tagged SIRT1 (241 to 512 residues) expressed in Escherichia coli Transetta(DE3) using AcIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001886	3	ChEMBL_1740515 (CHEMBL4156265)	Inhibition of recombinant human N-terminal His6-tagged SIRT5 (34 to 356 residues) expressed in Escherichia coli Transetta(DE3) using GluIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001886	4	ChEMBL_1740516 (CHEMBL4156266)	Inhibition of recombinant human N-terminal His6-tagged SIRT6 (4 to 296 residues) expressed in Escherichia coli Transetta(DE3) using AcIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001886	5	ChEMBL_1740517 (CHEMBL4156267)	Inhibition of recombinant human N-terminal His6-tagged SIRT7 (68 to 354 residues) expressed in Escherichia coli Transetta(DE3) using AcIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001886	6	ChEMBL_1740514 (CHEMBL4156264)	Inhibition of recombinant human N-terminal His6-tagged SIRT3 (122 to 391 residues) expressed in Escherichia coli Transetta(DE3) using AcIQF as substrate preincubated for 30 mins followed by substrate and NAD+ addition measured after 2 hrs by fluorescence assay
50001887	1	ChEMBL_1740532 (CHEMBL4156282)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine as substrate pretreated for 20 mins followed by substrate addition by Ellman's method
50001887	2	ChEMBL_1740533 (CHEMBL4156283)	Inhibition of recombinant human serum BChE using butyrylthiocholine as substrate pretreated for 20 mins followed by substrate addition by Ellman's method
50001887	3	ChEMBL_1740535 (CHEMBL4156285)	Non-competitive inhibition of recombinant human AChE expressed in HEK293 cells assessed as enzyme-substrate-inhibitor complex using varying levels of acetylthiocholine as substrate by Dixon plot analysis
50001888	1	ChEMBL_1740583 (CHEMBL4156333)	Inhibition of Akt in human A549 cells after 24 hrs by ELISA
50001888	2	ChEMBL_1740584 (CHEMBL4156334)	Inhibition of FAK phasphorylation at Tyr397 residues in rat C6 cells after 24 hrs by ELISA
50001888	3	ChEMBL_1740582 (CHEMBL4156332)	Inhibition of Akt in rat C6 cells after 24 hrs by ELISA
50001889	1	ChEMBL_1740613 (CHEMBL4156363)	Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production preincubated for 1.5 hrs under cell free condition by indophenol method
50001889	2	ChEMBL_1740616 (CHEMBL4156366)	Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hrs by indophenol method
50001889	3	ChEMBL_1740617 (CHEMBL4156367)	Mixed type non-competitive inhibition of urease in Helicobacter pylori ATCC 43504 assessed as enzyme-substrate-inhibitor complex constant preincubated for 1.5 hrs by indophenol method
50001889	4	ChEMBL_1740612 (CHEMBL4156362)	Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production preincubated for 1.5 hrs by indophenol method
50001890	1	ChEMBL_1740626 (CHEMBL4156376)	Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics analysis
50001891	1	ChEMBL_1740736 (CHEMBL4156486)	Inhibition of fungal AzgA expressed in Aspergillus nidulans assessed as reduction in AzgA-mediated [2,8-3H]-adenine accumulation
50001892	1	ChEMBL_1740750 (CHEMBL4156500)	Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	2	ChEMBL_1740751 (CHEMBL4156501)	Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells in presence of ANS by fluorescent thermal shift assay
50001892	3	ChEMBL_1740744 (CHEMBL4156494)	Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assay
50001892	4	ChEMBL_1740764 (CHEMBL4156514)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	5	ChEMBL_1740765 (CHEMBL4156515)	Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	6	ChEMBL_1740758 (CHEMBL4156508)	Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	7	ChEMBL_1740759 (CHEMBL4156509)	Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	8	ChEMBL_1740743 (CHEMBL4156493)	Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assay
50001892	9	ChEMBL_1740763 (CHEMBL4156513)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	10	ChEMBL_1740752 (CHEMBL4156502)	Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	11	ChEMBL_1740766 (CHEMBL4156516)	Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	12	ChEMBL_1740773 (CHEMBL4156523)	Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd by isothermal titration calorimetry
50001892	13	ChEMBL_1740746 (CHEMBL4156496)	Binding affinity to recombinant human carbonic anhydrase 4 (19 to 284 residues) expressed in mammalian expression system in presence of ANS by fluorescent thermal shift assay
50001892	14	ChEMBL_1740747 (CHEMBL4156497)	Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	15	ChEMBL_1740767 (CHEMBL4156517)	Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	16	ChEMBL_1740768 (CHEMBL4156518)	Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	17	ChEMBL_1740745 (CHEMBL4156495)	Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	18	ChEMBL_1740748 (CHEMBL4156498)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	19	ChEMBL_1740749 (CHEMBL4156499)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	20	ChEMBL_1740769 (CHEMBL4156519)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	21	ChEMBL_1740753 (CHEMBL4156503)	Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	22	ChEMBL_1740754 (CHEMBL4156504)	Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) strain in presence of ANS by fluorescent thermal shift assay
50001892	23	ChEMBL_1740756 (CHEMBL4156506)	Binding affinity to recombinant human carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain by isothermal titration calorimetry
50001892	24	ChEMBL_1740762 (CHEMBL4156512)	Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	25	ChEMBL_1740760 (CHEMBL4156510)	Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001892	26	ChEMBL_1740772 (CHEMBL4156522)	Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as intrinsic Kd by by isothermal titration calorimetry
50001892	27	ChEMBL_1740755 (CHEMBL4156505)	Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain by isothermal titration calorimetry
50001892	28	ChEMBL_1740761 (CHEMBL4156511)	Binding affinity to recombinant human carbonic anhydrase 4 (19 to 284 residues) expressed in mammalian expression system assessed as intrinsic Kd in presence of ANS by fluorescent thermal shift assay
50001893	1	ChEMBL_1740775 (CHEMBL4156525)	Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay
50001894	1	ChEMBL_1740909 (CHEMBL4156659)	Inhibition of human DNA topoisomerase 2beta after 2 hrs by ELISA
50001895	1	ChEMBL_1740975 (CHEMBL4156725)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 DNA as substrate after 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50001897	1	ChEMBL_1741004 (CHEMBL4156754)	Inhibition of human recombinant full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assay
50001897	2	ChEMBL_1741010 (CHEMBL4156760)	Inhibition of HDAC3 (unknown origin) after 30 mins by fluorescence assay
50001897	3	ChEMBL_1741012 (CHEMBL4156762)	Inhibition of HDAC8 (unknown origin) after 30 mins by fluorescence assay
50001897	4	ChEMBL_1741005 (CHEMBL4156755)	Inhibition of MDM2 (unknown origin) preincubated for 30 mins by fluorescence polarization assay
50001897	5	ChEMBL_1741009 (CHEMBL4156759)	Inhibition of HDAC2 (unknown origin) after 30 mins by fluorescence assay
50001897	6	ChEMBL_1741011 (CHEMBL4156761)	Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence assay
50001898	1	ChEMBL_1741055 (CHEMBL4156805)	Inhibition of EGFR in human MCF7 cell lysates after 24 to 48 hrs by ELISA
50001900	1	ChEMBL_1741063 (CHEMBL4156813)	Inhibition of recombinant human CYP2D6 expressed in insect cells microsomes using AMMC as substrate preincubated for 30 mins followed by NADP addition and measured after 45 mins by fluorescence analysis
50001900	2	ChEMBL_1741062 (CHEMBL4156812)	Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium release preincubated for 25 mins followed by acetylcholine stimulation and measured for 90 secs by calcium flux assay
50001900	3	ChEMBL_1741061 (CHEMBL4156811)	Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay
50001900	4	ChEMBL_1741070 (CHEMBL4156820)	Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of calcium release incubated for 25 mins by calcium flux assay
50001900	5	ChEMBL_1741066 (CHEMBL4156816)	Inhibition of human CYP3A4
50001900	6	ChEMBL_1741067 (CHEMBL4156817)	Displacement of [3H]astemizole from human ERG expressed in HEK cell membranes
50001900	7	ChEMBL_1741071 (CHEMBL4156821)	Antagonist activity at L-type calcium channel (unknown origin)
50001901	1	ChEMBL_1741076 (CHEMBL4156826)	Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	2	ChEMBL_1741077 (CHEMBL4156827)	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	3	ChEMBL_1741075 (CHEMBL4156825)	Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	4	ChEMBL_1741074 (CHEMBL4156824)	Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 10 uM ATP by ADP-Glo luminescence assay
50001901	5	ChEMBL_1741079 (CHEMBL4156829)	Inhibition of N-terminal GST-tagged recombinant human PIK3C2B catalytic domain expressed in Baculovirus expression system using PI as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	6	ChEMBL_1741073 (CHEMBL4156823)	Inhibition of GST-tagged full length recombinant human VPS34 expressed in Baculovirus expression system using PI:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	7	ChEMBL_1741080 (CHEMBL4156830)	Inhibition of PI4K3A (unknown origin) using PI:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	8	ChEMBL_1741081 (CHEMBL4156831)	Inhibition of PI4K3B (unknown origin) using PI:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001901	9	ChEMBL_1741088 (CHEMBL4156838)	Inhibition of PI3Kalpha in mouse NIH-3T3 cells assessed as reduction in PDGF-BB-induced phosphorylation of AKT at Thr308 residues preincubated for 1 hr followed by PDGF-BB stimulation and measured after 10 mins by PAGE analysis
50001901	10	ChEMBL_1741090 (CHEMBL4156840)	Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-induced reduction in phosphorylation of AKT at Ser473 residues preincubated for 1 hr followed by C5a stimulation and measured after 5 mins by PAGE analysis
50001901	11	ChEMBL_1741091 (CHEMBL4156841)	Inhibition of PI3Kdelta in human Raji cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Thr308 residues preincubated for 1 hr followed by anti-IgM antibody stimulation and measured after 5 mins by PAGE analysis
50001901	12	ChEMBL_1741078 (CHEMBL4156828)	Inhibition of N-terminal GST-tagged recombinant human PIK3C2A catalytic domain expressed in Baculovirus expression system using PI as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay
50001902	1	ChEMBL_1741625 (CHEMBL4157375)	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by spectrometric analysis
50001902	2	ChEMBL_1741626 (CHEMBL4157376)	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by spectrometric analysis
50001902	3	ChEMBL_1741628 (CHEMBL4157378)	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by spectrometric analysis
50001902	4	ChEMBL_1741629 (CHEMBL4157379)	Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by spectrometric analysis
50001903	1	ChEMBL_1741652 (CHEMBL4157402)	Binding affinity to HIV1 gag polyprotein A364V mutant containing viral like particle
50001903	2	ChEMBL_1741648 (CHEMBL4157398)	Binding affinity to wild type HIV1 gag polyprotein containing viral like particle
50001903	3	ChEMBL_1741649 (CHEMBL4157399)	Binding affinity to HIV1 gag polyprotein V362I mutant containing viral like particle
50001903	4	ChEMBL_1741650 (CHEMBL4157400)	Binding affinity to HIV1 gag polyprotein V370A mutant containing viral like particle
50001903	5	ChEMBL_1741651 (CHEMBL4157401)	Binding affinity to HIV1 gag polyprotein delta V370 mutant containing viral like particle
50001904	1	ChEMBL_1741762 (CHEMBL4157512)	Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by TR-FRET assay
50001905	1	ChEMBL_1741810 (CHEMBL4157560)	Inhibition of full length FLAG-tagged XIAP (unknown origin) interaction with full length untagged caspase-9 expressed in HEK293 cells after 2 hrs by immunoprecipitation assay
50001905	2	ChEMBL_1741811 (CHEMBL4157561)	Induction of intracellular cIAP1 degradation in human MDA-MB-231 cells after 2 hrs
50001905	3	ChEMBL_1741807 (CHEMBL4157557)	Inhibition of human ERG expressed in CHOK1 cells incubated for 600 secs at -80 mV holding potential by automated patch clamp assay
50001906	1	ChEMBL_1741872 (CHEMBL4157622)	Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method
50001907	1	ChEMBL_1741905 (CHEMBL4157655)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 3.39 +/- 0.84 microM)
50001907	2	ChEMBL_1741906 (CHEMBL4157656)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 3.39 +/- 0.84 microM)
50001907	3	ChEMBL_1741907 (CHEMBL4157657)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 3.39 +/- 0.84 microM)
50001907	4	ChEMBL_1741908 (CHEMBL4157658)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 6.15 +/- 0.63 microM)
50001907	5	ChEMBL_1741909 (CHEMBL4157659)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 6.15 +/- 0.63 microM)
50001907	6	ChEMBL_1741910 (CHEMBL4157660)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 6.15 +/- 0.63 microM)
50001907	7	ChEMBL_1741911 (CHEMBL4157661)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 0.61 +/- 0.03 microM)
50001907	8	ChEMBL_1741912 (CHEMBL4157662)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 0.61 +/- 0.03 microM)
50001907	9	ChEMBL_1741913 (CHEMBL4157663)	Inhibition of ABCB1 in human SW620/Ad300 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 0.61 +/- 0.03 microM)
50001907	10	ChEMBL_1741941 (CHEMBL4157691)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 0.09 +/- 0.02 microM)
50001907	11	ChEMBL_1741942 (CHEMBL4157692)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 0.09 +/- 0.02 microM)
50001907	12	ChEMBL_1741943 (CHEMBL4157693)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 0.09 +/- 0.02 microM)
50001907	13	ChEMBL_1741944 (CHEMBL4157694)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 1.17 +/- 0.09 microM)
50001907	14	ChEMBL_1741945 (CHEMBL4157695)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 1.17 +/- 0.09 microM)
50001907	15	ChEMBL_1741946 (CHEMBL4157696)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 1.17 +/- 0.09 microM)
50001907	16	ChEMBL_1741947 (CHEMBL4157697)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 7.22 +/- 0.45 microM)
50001907	17	ChEMBL_1741948 (CHEMBL4157698)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 20 uM after 72 hrs by MTT assay (Rvb = 7.22 +/- 0.45 microM)
50001907	18	ChEMBL_1741949 (CHEMBL4157699)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 4 uM after 72 hrs by MTT assay (Rvb = 7.22 +/- 0.45 microM)
50001908	1	ChEMBL_1741990 (CHEMBL4157740)	Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method
50001909	1	ChEMBL_1742007 (CHEMBL4157757)	Inhibition of BACE 1 (unknown origin) using 250 nM of Rh-EVNLDAEFK-Quencher as substrate after 1 hr by FRET assay
50001909	2	ChEMBL_1742008 (CHEMBL4157758)	Inhibition of BACE 1 (unknown origin) using 500 nM of Rh-EVNLDAEFK-Quencher as substrate after 1 hr by FRET assay
50001910	1	ChEMBL_1742149 (CHEMBL4157899)	Displacement of ARC-1504/ARC-1513-5O from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay
50001910	2	ChEMBL_1742155 (CHEMBL4157905)	Displacement of 5-TAMRA-labeled ARC-1530 from CK2alpha (unknown origin) (1 to 335 residues) after 15 to 60 mins by luminescence assay
50001911	1	ChEMBL_1742213 (CHEMBL4157963)	Displacement of [3H]SR141716A from membrane bound human CB1 receptor after 1 hr by beta scintillation counting method
50001911	2	ChEMBL_1742216 (CHEMBL4157966)	Displacement of [3H]CP55940 from membrane bound human CB2 receptor after 1 hr by beta scintillation counting method
50001912	1	ChEMBL_1742223 (CHEMBL4157973)	Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay
50001912	2	ChEMBL_1742220 (CHEMBL4157970)	Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay
50001913	1	ChEMBL_1742299 (CHEMBL4158049)	Inhibition of IFNgamma-stimulated STAT3 activation in human HeLa cells incubated with IFNgamma for 16 hrs followed by compound addition measured after 24 hrs by luciferase reporter gene assay
50001913	2	ChEMBL_1742295 (CHEMBL4158045)	Inhibition of IFNgamma-stimulated STAT3 activation in human AD293 cells incubated with IFNgamma for 16 hrs followed by compound addition measured after 24 hrs by luciferase reporter gene assay
50001913	3	ChEMBL_1742296 (CHEMBL4158046)	Inhibition of IL-6 stimulated STAT3 activation in human AD293 cells incubated with IL-6 for 16 hrs followed by compound addition measured after 6 hrs by luciferase reporter gene assay
50001913	4	ChEMBL_1742297 (CHEMBL4158047)	Inhibition of NF-kappaB stimulated STAT3 activation in human AD293 cells incubated with NF-kappaB for 16 hrs followed by compound addition measured after 4 hrs by luciferase reporter gene assay
50001913	5	ChEMBL_1742300 (CHEMBL4158050)	Inhibition of NF-kappaB stimulated STAT3 activation in human HeLa cells incubated with NF-kappaB for 16 hrs followed by compound addition measured after 4 hrs by luciferase reporter gene assay
50001913	6	ChEMBL_1742305 (CHEMBL4158055)	Inhibition of IFNgamma-stimulated GFP/FLAG-tagged STAT3 dimerization in human AD293 cells incubated for 6 hrs by Western blot analysis
50001914	1	ChEMBL_1742330 (CHEMBL4158080)	Antagonist activity at AR in mouse SC3 cells assessed as inhibition of DHT-induced cell proliferation after 3 days by CCK8 assay
50001915	1	ChEMBL_1742343 (CHEMBL4158093)	Agonist activity at recombinant human GAL4-DBD fused PPARalpha LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay
50001915	2	ChEMBL_1742341 (CHEMBL4158091)	Agonist activity at recombinant human GAL4-DBD fused PPARgamma LBD expressed in COS7 cells after 24 hrs by luciferase reporter gene assay
50001916	1	ChEMBL_1742397 (CHEMBL4158147)	Inhibition of human 11beta-HSD1 expressed in HEK293 cell lysates using radiolabeled cortisone as substrate incubated for 10 mins by scintillation counting method
50001917	1	ChEMBL_1742408 (CHEMBL4158158)	Agonist activity at human FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRET assay
50001917	2	ChEMBL_1742406 (CHEMBL4158156)	Agonist activity to human FFA2R expressed in HEK293T cells assessed as induction beta-arrestin-2 recruitment after 10 mins by BRET assay
50001917	3	ChEMBL_1742413 (CHEMBL4158163)	Displacement of [3H]-GLPG0974 from human FFA2 expressed in Flp-InT-REx 293 cell membranes after 2 hrs by liquid scintillation spectrometry
50001917	4	ChEMBL_1742444 (CHEMBL4158194)	Agonist activity at mouse FFA2R expressed in Flp-InT-REx 293 cells assessed as reduction of forskolin-induced cAMP production after 30 mins by TR-FRET assay
50001917	5	ChEMBL_1742451 (CHEMBL4158201)	Agonist activity at FFA2R in mouse mature adipocytes assessed as inhibition of isoproterenol-induced glycerol production
50001918	1	ChEMBL_1742470 (CHEMBL4158220)	Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	2	ChEMBL_1742465 (CHEMBL4158215)	Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	3	ChEMBL_1742468 (CHEMBL4158218)	Inhibition of recombinant human MMP1 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	4	ChEMBL_1742469 (CHEMBL4158219)	Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	5	ChEMBL_1742471 (CHEMBL4158221)	Inhibition of recombinant human MMP9 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	6	ChEMBL_1742472 (CHEMBL4158222)	Inhibition of recombinant human MMP14 expressed in Escherichia coli using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50001918	7	ChEMBL_1742466 (CHEMBL4158216)	Inhibition of MMP3 (unknown origin)
50001918	8	ChEMBL_1742467 (CHEMBL4158217)	Inhibition of MMP12 (unknown origin)
50001918	9	ChEMBL_1742481 (CHEMBL4158231)	Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells assessed as reduction in enzyme-mediated type-2 collagen cleavage after 22 hrs by SDS-PAGE analysis
50001919	1	ChEMBL_1742489 (CHEMBL4158239)	Inhibition of recombinant human cytosolic PTPepsilon expressed in Escherichia coli BL21 (DE3) using E527-P-Q-pY530-Q-P-G-E-N-L536 as substrate after 60 mins by malachite green assay
50001921	1	ChEMBL_1742508 (CHEMBL4158258)	Inhibition of recombinant RHAMM (unknown origin) binding to HA after 240 secs by SPR method
50001921	2	ChEMBL_1742507 (CHEMBL4158257)	Inhibition of C-terminal His-tagged 7 kDa RHAMM (unknown origin) binding to HA after 240 secs by SPR method
50001922	1	ChEMBL_1742530 (CHEMBL4158280)	Displacement of [3H]ES227703 from human FFA2R expressed in CHOK1 cells after 60 mins by TopCount scintillation counting method
50001922	2	ChEMBL_1742527 (CHEMBL4158277)	Agonist activity at mouse FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35S addition measured after 2.5 hrs by SPA method
50001922	3	ChEMBL_1742526 (CHEMBL4158276)	Agonist activity at human FFA2R expressed in CHOK1 cells assessed as induction of GTPgamma35S binding preincubated for 15 mins followed by GTPgamma35S addition measured after 2.5 hrs by SPA method
50001923	1	ChEMBL_1742587 (CHEMBL4158337)	Inhibition of c-terminal hexa-His tagged human S-COMT expressed in HEK293-6E cell membrane homogenate using 7,8-dihydroxy-4-methylcoumarin as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
50001923	2	ChEMBL_1742588 (CHEMBL4158338)	Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
50001923	3	ChEMBL_1742589 (CHEMBL4158339)	Inhibition of c-terminal hexa-His tagged rat S-COMT expressed in HEK293-6E cell membrane homogenate using 7,8-dihydroxy-4-methylcoumarin as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
50001923	4	ChEMBL_1742585 (CHEMBL4158335)	Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay
50001923	5	ChEMBL_1742619 (CHEMBL4158369)	Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin)
50001924	1	ChEMBL_1742626 (CHEMBL4158376)	Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay
50001924	2	ChEMBL_1742656 (CHEMBL4158406)	Inhibition of of CYP2C8 in human liver microsomes using amodiaquine as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis
50001924	3	ChEMBL_1742658 (CHEMBL4158408)	Inhibition of of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis
50001924	4	ChEMBL_1742660 (CHEMBL4158410)	Inhibition of of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 20 mins in presence of NADPH by LC-MS/MS analysis
50001924	5	ChEMBL_1742627 (CHEMBL4158377)	Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF responsive element after 24 hrs by ONE-Glo luciferase reporter gene assay
50001924	6	ChEMBL_1742673 (CHEMBL4158423)	Antagonist activity at HIF-2alpha in human 786-O cells assessed as free plasma adjusted EC50 for reduction in VEGFA concentration after 24 hrs by ELISA
50001924	7	ChEMBL_1742628 (CHEMBL4158378)	Antagonist activity at HIF-2alpha in human 786-O cells assessed as reduction in VEGFA concentration after 24 hrs by ELISA
50001924	8	ChEMBL_1742654 (CHEMBL4158404)	Inhibition of of CYP1A2 in human liver microsomes using phenacetin after 10 mins in presence of NADPH by LC-MS/MS analysis
50001924	9	ChEMBL_1742655 (CHEMBL4158405)	Inhibition of of CYP2B6 in human liver microsomes using bupropion as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis
50001924	10	ChEMBL_1742657 (CHEMBL4158407)	Inhibition of of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis
50001924	11	ChEMBL_1742659 (CHEMBL4158409)	Inhibition of of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC-MS/MS analysis
50001925	1	ChEMBL_1742691 (CHEMBL4158441)	Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 10 mins before agonist addition by FLIPR assay
50001925	2	ChEMBL_1742698 (CHEMBL4158448)	Inhibition of TRPA1 (unknown origin)
50001925	3	ChEMBL_1742699 (CHEMBL4158449)	Inhibition of TRPV1 (unknown origin)
50001925	4	ChEMBL_1742700 (CHEMBL4158450)	Inhibition of TRPM2 (unknown origin)
50001925	5	ChEMBL_1742701 (CHEMBL4158451)	Inhibition of TRPM4 (unknown origin)
50001925	6	ChEMBL_1742702 (CHEMBL4158452)	Inhibition of TRPM8 (unknown origin)
50001925	7	ChEMBL_1742703 (CHEMBL4158453)	Inhibition of TRPC3 (unknown origin)
50001925	8	ChEMBL_1742704 (CHEMBL4158454)	Inhibition of TRPC4 (unknown origin)
50001925	9	ChEMBL_1742705 (CHEMBL4158455)	Inhibition of TRPC5 (unknown origin)
50001925	10	ChEMBL_1742706 (CHEMBL4158456)	Inhibition of TRPC6 (unknown origin)
50001926	1	ChEMBL_1742721 (CHEMBL4158471)	Inhibition of recombinant human TDP1 using 5'-32P-labeled N14Y as substrate after 15 mins by PAGE analysis
50001926	2	ChEMBL_1742720 (CHEMBL4158470)	Inhibition of recombinant human TDP1 using 5'FAM-AGGATCTAAAAGACTT-BHQ-3' as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based assay
50001927	1	ChEMBL_1742833 (CHEMBL4158583)	Inhibition of RSV Long fusion protein assessed as protection against virus induced cytopathic effect in infected human Hep2 cells after 5 days by CCK8 assay
50001927	2	ChEMBL_1742867 (CHEMBL4158617)	Inhibition of RSV Long fusion protein L138F mutant assessed as protection against virus induced cytopathic effect in infected human Hep2 cells after 5 days by CCK8 assay
50001927	3	ChEMBL_1742845 (CHEMBL4158595)	Inhibition of RSV A2 fusion protein assessed as protection against virus induced cytopathic effect in infected human Hep2 cells after 5 days by CCK8 assay
50001927	4	ChEMBL_1742846 (CHEMBL4158596)	Inhibition of RSV B fusion protein assessed as protection against virus induced cytopathic effect in infected human Hep2 cells after 5 days by CCK8 assay
50001927	5	ChEMBL_1742878 (CHEMBL4158628)	Inhibition of RSV Long fusion protein assessed as decrease in virus induced syncytium formation in infected human HeLa/M cells
50001929	1	ChEMBL_1742883 (CHEMBL4158633)	Inhibition of human Nav1.5 expressed in HEK293 cells at holding potential of -20 mV after 10 mins by patchxpress-based electrophysiology assay
50001929	2	ChEMBL_1742884 (CHEMBL4158634)	Inhibition of human Nav1.8 expressed in HEK293 cells after 10 mins by patchxpress-based electrophysiology
50001929	3	ChEMBL_1742886 (CHEMBL4158636)	Inhibition of Nav1.7 in C57/BL6 mouse DRG neurons assessed as reduction in TTX sensitive sodium channel-mediated currents by whole cell manual patch clamp assay
50001929	4	ChEMBL_1742880 (CHEMBL4158630)	Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay
50001929	5	ChEMBL_1742881 (CHEMBL4158631)	Inhibition of human Nav1.4 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay
50001929	6	ChEMBL_1742882 (CHEMBL4158632)	Inhibition of human Nav1.6 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay
50001929	7	ChEMBL_1742885 (CHEMBL4158635)	Inhibition of mouse Nav1.7 expressed in HEK293 cells after 10 mins by patchxpress-based electrophysiology
50001930	1	ChEMBL_1742908 (CHEMBL4158658)	Inhibition of human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method
50001930	2	ChEMBL_1742910 (CHEMBL4158660)	Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus infected Sf9 insect cells using Z(Ac)Lys-AMC as substrate by fluorometric method
50001930	3	ChEMBL_1742907 (CHEMBL4158657)	Inhibition of Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method
50001930	4	ChEMBL_1742909 (CHEMBL4158659)	Inhibition of C-terminal FLAG/His-tagged full length human HDAC1 expressed in baculovirus infected Sf9 insect cells using Z(Ac)Lys-AMC as substrate by fluorometric method
50001930	5	ChEMBL_1742917 (CHEMBL4158667)	Inhibition of human His-thioredoxin-tagged HDAC8 mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method
50001930	6	ChEMBL_1742918 (CHEMBL4158668)	Inhibition of human His-thioredoxin-tagged HDAC8 mL1/mL6/L179I mutant expressed in Escherichia coli BL21 (DE3) cells using Fluor de Lys (R)-HDAC8 as substrate by fluorometric method
50001930	7	ChEMBL_1742911 (CHEMBL4158661)	Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method
50001930	8	ChEMBL_1742912 (CHEMBL4158662)	Binding affinity to Schistosoma mansoni His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method
50001931	1	ChEMBL_1742932 (CHEMBL4158682)	Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated for 30 mins followed by tBhQ-mediated Ca2+ depletion and Ca2+ re-addition to extracellular solution measured for 600 secs by Fluo-4 AM-based fluorometric assay relative to control
50001931	2	ChEMBL_1742934 (CHEMBL4158684)	Inhibition of STIM1/STIM2/Orai1 (unknown origin) expressed in mouse BV2 cells assessed as reduction of store-operated calcium entry at 100 uM preincubated for 30 mins followed by tBhQ, mediated Ca2+ depletion and re-addition measured for 600 secs by Fluo-4 AM-based fluorometric assay
50001931	3	ChEMBL_1742931 (CHEMBL4158681)	Inhibition of STIM1/STIM2/Orai1 (unknown origin) expressed in mouse BV2 cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated for 30 mins followed by tBhQ, mediated Ca2+ depletion and re-addition measured for 600 secs by Fluo-4 AM-based fluorometric assay
50001932	1	ChEMBL_1742999 (CHEMBL4158749)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method
50001932	2	ChEMBL_1742998 (CHEMBL4158748)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting method
50001932	3	ChEMBL_1743000 (CHEMBL4158750)	Displacement of [3H]DAMGO from MOR in guinea pig brain membranes incubated for 120 mins by scintillation counting method
50001932	4	ChEMBL_1743001 (CHEMBL4158751)	Displacement of [3H]U-69,593 from KOR in guinea pig brain membranes incubated for 120 mins by scintillation counting method
50001932	5	ChEMBL_1743002 (CHEMBL4158752)	Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 120 mins by scintillation counting method
50001932	6	ChEMBL_1743004 (CHEMBL4158754)	Displacement of [3H]ifenprodil from GluN2B (unknown origin) expressed in in mouse L(tk-) cell membranes incubated for 120 mins by scintillation counting method
50001932	7	ChEMBL_1743006 (CHEMBL4158756)	Inhibition of human ERG expressed in CHO cells by automated patch clamp assay
50001932	8	ChEMBL_1743005 (CHEMBL4158755)	Agonist activity at human MOR expressed in CHOK1 cells assessed as reduction in forskolin-induced intracellular cAMP increase after 45 mins by HTRF analysis
50001932	9	ChEMBL_1743019 (CHEMBL4158769)	Displacement of [3H](+)-pentazocine from sigma1 receptor in quinea pig brain membranes
50001932	10	ChEMBL_1743020 (CHEMBL4158770)	Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes
50001934	1	ChEMBL_1743028 (CHEMBL4158778)	Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50001934	2	ChEMBL_1743027 (CHEMBL4158777)	Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubated for 30 mins followed by substrate addition and HTRF assay
50001934	3	ChEMBL_1743065 (CHEMBL4158815)	Inhibition of mouse ABD-truncated p110delta catalytic subunit (unknown origin) expressed in Sf9 cells using diC8-PIP2 substrate incubated for 1 hr by fluorescence polarization assay
50001934	4	ChEMBL_1743025 (CHEMBL4158775)	Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50001934	5	ChEMBL_1743026 (CHEMBL4158776)	Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincubated for 30 mins followed by substrate addition by HTRF assay
50001934	6	ChEMBL_1743034 (CHEMBL4158784)	Inhibition of PI3Kdelta in human THP-1 cells assessed as reduction in M-CSF-stimulated AKT phosphorylation at Thr308 preincubated for 30 mins followed by M-CSF addition for 3 mins by ELISA
50001935	1	ChEMBL_1743108 (CHEMBL4158858)	Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) incubated for 5 hrs by fluorescence polarization assay
50001935	2	ChEMBL_1743104 (CHEMBL4158854)	Binding affinity to GRP94 N-domain (unknown origin)
50001935	3	ChEMBL_1743105 (CHEMBL4158855)	Inhibition of human recombinant HSP90alpha expressed in Escherichia coli by fluorescence polarization assay
50001935	4	ChEMBL_1743107 (CHEMBL4158857)	Inhibition of FITC-geldanamycin binding to canine GRP94 incubated for 5 hrs by fluorescence polarization assay
50001935	5	ChEMBL_1743109 (CHEMBL4158859)	Displacement of [3H]NECA from GRP94 in porcine pancreas rough microsomes by liquid scintillation spectrometry
50001935	6	ChEMBL_1743073 (CHEMBL4158823)	Inhibition of FITC-geldanamycin binding to human His-tagged HSP90alpha N-terminal domain (1 to 236 residues) expressed in Escherichia coli BL21star (DE3) after 4 hrs by FP assay relative to control
50001935	7	ChEMBL_1743075 (CHEMBL4158825)	Binding affinity to human His-tagged HSP90alpha N-terminal domain (1 to 236 residues) expressed in Escherichia coli BL21star (DE3) by biolayer interferometry
50001936	1	ChEMBL_1743175 (CHEMBL4158925)	Inhibition of chymotrypsin-like activity of 20S proteasome in human SEM cells using Suc-LLVY aminoluciferin as substrate after 2 hrs by proteasome-Glo assay
50001936	2	ChEMBL_1743154 (CHEMBL4158904)	Inhibition of C-terminal FLAG-His-tagged full length recombinant human HDAC1 expressed in Sf21 insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay
50001936	3	ChEMBL_1743174 (CHEMBL4158924)	Inhibition of chymotrypsin-like activity of 20S proteasome in human HL60 cells using Suc-LLVY aminoluciferin as substrate after 2 hrs by proteasome-Glo assay
50001936	4	ChEMBL_1743176 (CHEMBL4158926)	Inhibition of chymotrypsin-like activity of 20S proteasome in imatinib-resistant human SUP-B15 cells using Suc-LLVY aminoluciferin as substrate after 2 hrs by proteasome-Glo assay
50001936	5	ChEMBL_1743158 (CHEMBL4158908)	Inhibition of C-terminal His-tagged recombinant human HDAC8 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay
50001936	6	ChEMBL_1743157 (CHEMBL4158907)	Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay
50001936	7	ChEMBL_1743156 (CHEMBL4158906)	Inhibition of recombinant human HDAC3/NCOR2 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay
50001936	8	ChEMBL_1743155 (CHEMBL4158905)	Inhibition of C-terminal GST-tagged recombinant human HDAC2 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluorescence-based assay
50001937	1	ChEMBL_1743290 (CHEMBL4177800)	Inhibition recombinant human NAAA expressed in HEK293 cells after 10 mins
50001937	2	ChEMBL_1743286 (CHEMBL4177796)	Inhibition of recombinant human NAAA expressed in HEK293 cells preincubated for 10 mins followed by PAMCA substrate addition after 30 mins by fluorescence assay
50001937	3	ChEMBL_1743284 (CHEMBL4177794)	Inhibition of human MAGL
50001937	4	ChEMBL_1743273 (CHEMBL4177783)	Inhibition of recombinant human N-terminal -His6 tagged FAAH (32 to 579 residues) expressed in Escherichia coli BL21-AI preincubated for 5 mins followed by olamide substrate addition measured every 10 sec intervals for 30 mins by spectrophotometry
50001937	5	ChEMBL_1743272 (CHEMBL4177782)	Inhibition of recombinant human N-terminal -His6 tagged FAAH (32 to 579 residues) expressed in Escherichia coli BL21 preincubated for 60 mins followed by olamide substrate addition measured every 10 sec intervals for 30 mins by spectrophotometry
50001937	6	ChEMBL_1743269 (CHEMBL4177779)	Inhibition of rat brain microsomal FAAH using N-(2-hydroxyethyl)-4-pyren-1-yl-butanamide as substrate after 60 mins by RP HPLC based fluorescence assay
50001937	7	ChEMBL_1743265 (CHEMBL4177775)	Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis
50001937	8	ChEMBL_1743267 (CHEMBL4177777)	Inhibition of recombinant human MAGL
50001937	9	ChEMBL_1743315 (CHEMBL4177825)	Inhibition of recombinant human N-terminal FLAG-tagged/C-terminal Myc-His6 tagged FAAH2 (32 to 579 residues) expressed in COS7 cell membranes
50001937	10	ChEMBL_1743317 (CHEMBL4177827)	Antagonist activity at CB1R (unknown origin)
50001937	11	ChEMBL_1743283 (CHEMBL4177793)	Inhibition of recombinant human C-terminal hexa-histidine tagged NAAA expressed in HEK293 cells using [1,2-14C]N-palmitoylethanolamine as substrate after 30 mins by liquid scintillation counting method
50001937	12	ChEMBL_1743282 (CHEMBL4177792)	Inhibition of rat FAAH expressed in HEK293 cells by LC/MS analysis
50001937	13	ChEMBL_1743281 (CHEMBL4177791)	Inhibition of rat NAAA expressed in HEK293 cells by LC/MS analysis
50001937	14	ChEMBL_1743278 (CHEMBL4177788)	Inhibition of FAAH (unknown origin)
50001937	15	ChEMBL_1743277 (CHEMBL4177787)	Inhibition of MAGL (unknown origin) using 2-AG as substrate
50001937	16	ChEMBL_1743271 (CHEMBL4177781)	Inhibition of mouse brain membrane FAAH preincubated for 10 mins followed by 14C-oleamide substrate addition measured up to 60 mins by TLC analysis
50001937	17	ChEMBL_1743270 (CHEMBL4177780)	Inhibition of Sprague-Dawley rat brain FAAH using [14C]anandamide as substrate by liquid scintillation counting method
50001937	18	ChEMBL_1743268 (CHEMBL4177778)	Inhibition of Sprague-Dawley rat brain FAAH preincubated for 10 mins followed by [3H]-anandamide substrate addition after 30 mins by liquid scintillation counting method
50001937	19	ChEMBL_1743318 (CHEMBL4177828)	Inhibition of FAAH in rat brain membranes
50001937	20	ChEMBL_1743305 (CHEMBL4177815)	Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins followed by 2-OG substrate addition after 10 mins by LC/MS analysis
50001937	21	ChEMBL_1743316 (CHEMBL4177826)	Inhibition of rat FAAH
50001937	22	ChEMBL_1743306 (CHEMBL4177816)	Inhibition of rat MAGL
50001937	23	ChEMBL_1743307 (CHEMBL4177817)	Inhibition of mouse MAGL
50001937	24	ChEMBL_1743262 (CHEMBL4177772)	Inhibition of CD1 mouse FAAH
50001937	25	ChEMBL_1743266 (CHEMBL4177776)	Inhibition of FAAH in Wistar rat brain membranes using [3H]-anandamide as substrate preincubated for 10 mins followed by substrate addition measured after 4 mins by liquid scintillation counting method
50001937	26	ChEMBL_1743264 (CHEMBL4177774)	Binding affinity to CB1R (unknown origin)
50001937	27	ChEMBL_1743313 (CHEMBL4177823)	Inhibition of Wistar rat brain homogenate FAAH using [3H]AEA as substrate after 10 mins by liquid scintillation counting method
50001937	28	ChEMBL_1743314 (CHEMBL4177824)	Inhibition of recombinant human MAGL preincubated for 10 mins followed by 2-AG substrate addition after 10 mins by HPLC analysis
50001937	29	ChEMBL_1743302 (CHEMBL4177812)	Inhibition of rat cerebellar membranes MAGL-like activity preincubated for 30 mins followed by 2-AG substrate addition after 90 mins by HPLC analysis
50001937	30	ChEMBL_1743298 (CHEMBL4177808)	Time dependent inhibition of recombinant human NAAA expressed in HEK293 cells by liquid scintillation counting method
50001937	31	ChEMBL_1743297 (CHEMBL4177807)	Time dependent inhibition of recombinant human NAAA expressed in HEK293 cell membranes using [14C]-PEA as substrate by liquid scintillation counting method
50001937	32	ChEMBL_1743296 (CHEMBL4177806)	Inhibition of NAAA (unknown origin)
50001937	33	ChEMBL_1743289 (CHEMBL4177799)	Inhibition of recombinant Sprague-Dawley rat NAAA expressed in HEK293 cells after 10 mins
50001937	34	ChEMBL_1743312 (CHEMBL4177822)	Inhibition of recombinant rat MAGL expressed in Escherichia coli using 2-AG as substrate
50001937	35	ChEMBL_1743311 (CHEMBL4177821)	Inhibition of mouse MAGL after 30 mins by gel-based ABPP assay
50001937	36	ChEMBL_1743310 (CHEMBL4177820)	Inhibition of recombinant human full length MAGL expressed in HEK293 cells preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay
50001937	37	ChEMBL_1743309 (CHEMBL4177819)	Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay
50001937	38	ChEMBL_1743263 (CHEMBL4177773)	Inhibition of mouse MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay
50001937	39	ChEMBL_1743308 (CHEMBL4177818)	Inhibition of Wistar rat MAGL using 2-monooleoyl[1,2,3-3H]glycerol as substrate
50001937	40	ChEMBL_1743304 (CHEMBL4177814)	Inhibition of recombinant human N-terminal His6-tagged and C-terminal Strep-tagged MAGL expressed in Escherichia coli Rosetta using [3H]2-OG as substrate after 10 mins by liquid scintillation counting method
50001937	41	ChEMBL_1743303 (CHEMBL4177813)	Inhibition of human cerebellar membranes MAGL-like activity preincubated for 30 mins followed by 2-AG substrate addition after 90 mins by HPLC analysis
50001938	1	ChEMBL_1743376 (CHEMBL4177886)	Inhibition of reverse transcriptase M204I/S202G double mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	2	ChEMBL_1743345 (CHEMBL4177855)	Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by real time PCR analysis
50001938	3	ChEMBL_1743375 (CHEMBL4177885)	Inhibition of reverse transcriptase M204I/S202G/M250V triple mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	4	ChEMBL_1743377 (CHEMBL4177887)	Inhibition of reverse transcriptase M204I/S202G/M250V triple mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	5	ChEMBL_1743342 (CHEMBL4177852)	Inhibition of reverse transcriptase M204I/S202G double mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	6	ChEMBL_1743399 (CHEMBL4177909)	Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day 7 in presence of 5 % human serum by real-time PCR analysis
50001938	7	ChEMBL_1743400 (CHEMBL4177910)	Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day 7 in presence of 10 % human serum by real-time PCR analysis
50001938	8	ChEMBL_1743401 (CHEMBL4177911)	Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day 7 in presence of 20 % human serum by real-time PCR analysis
50001938	9	ChEMBL_1743402 (CHEMBL4177912)	Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day 7 in presence of 40 % human serum by real-time PCR analysis
50001938	10	ChEMBL_1743403 (CHEMBL4177913)	Inhibition of wild type hepatitis B virus capsid assembly in human HepG2.215 cells assessed as reduction in intracellular DNA levels measured on day 7 in presence of 50 % human serum by real-time PCR analysis
50001938	11	ChEMBL_1743404 (CHEMBL4177914)	Inhibition of CYP1A2 (unknown origin)
50001938	12	ChEMBL_1743405 (CHEMBL4177915)	Inhibition of CYP2C9 (unknown origin)
50001938	13	ChEMBL_1743406 (CHEMBL4177916)	Inhibition of CYP2C19 (unknown origin)
50001938	14	ChEMBL_1743407 (CHEMBL4177917)	Inhibition of CYP2D6 (unknown origin)
50001938	15	ChEMBL_1743408 (CHEMBL4177918)	Inhibition of CYP2E1 (unknown origin)
50001938	16	ChEMBL_1743409 (CHEMBL4177919)	Inhibition of CYP3A4 (unknown origin)
50001938	17	ChEMBL_1743370 (CHEMBL4177880)	Inhibition of reverse transcriptase L180M/M204V double mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	18	ChEMBL_1743369 (CHEMBL4177879)	Inhibition of reverse transcriptase M204I mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	19	ChEMBL_1743368 (CHEMBL4177878)	Inhibition of reverse transcriptase L180M/M204V double mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	20	ChEMBL_1743367 (CHEMBL4177877)	Inhibition of reverse transcriptase M204I mutant expressing telbivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	21	ChEMBL_1743359 (CHEMBL4177869)	Inhibition of reverse transcriptase M204I/V173L double mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	22	ChEMBL_1743360 (CHEMBL4177870)	Inhibition of reverse transcriptase M204I mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	23	ChEMBL_1743362 (CHEMBL4177872)	Inhibition of reverse transcriptase M204I/VI73L double mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	24	ChEMBL_1743357 (CHEMBL4177867)	Inhibition of lamivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	25	ChEMBL_1743460 (CHEMBL4177970)	Inhibition of entecavir-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	26	ChEMBL_1743459 (CHEMBL4177969)	Inhibition of entecavir-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	27	ChEMBL_1743458 (CHEMBL4177968)	Inhibition of telbivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	28	ChEMBL_1743457 (CHEMBL4177967)	Inhibition of telbivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001938	29	ChEMBL_1743361 (CHEMBL4177871)	Inhibition of lamivudine-resistant wild type hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in secreted DNA levels measured on day 7 by real-time PCR analysis
50001938	30	ChEMBL_1743358 (CHEMBL4177868)	Inhibition of reverse transcriptase M204I mutant expressing lamivudine-resistant hepatitis B virus capsid assembly in human Huh7 cells assessed as reduction in intracellular DNA levels measured on day 7 by real-time PCR analysis
50001939	1	ChEMBL_1743486 (CHEMBL4177996)	Inhibition of horse radish peroxidase assessed as residual activity by amplex red dye based fluorescence assay
50001939	2	ChEMBL_1743481 (CHEMBL4177991)	Inhibition of human membrane bound MAO-A expressed in insect cell membranes assessed as reduction in conversion of kynuramine to 4-hydroxyquinoline by spectrophotometric assay
50001939	3	ChEMBL_1743482 (CHEMBL4177992)	Inhibition of human membrane bound MAO-B expressed in insect cell membranes assessed as reduction in conversion of kynuramine to 4-hydroxyquinoline by spectrophotometric assay
50001939	5	ChEMBL_1743492 (CHEMBL4178002)	Inhibition of ABAD (unknown origin) assessed as residual activity using acetoacetyl-CoA in presence of NADH by spectrophotometric assay relative to control
50001939	6	ChEMBL_1743480 (CHEMBL4177990)	Inhibition of human purified MAO-A expressed in insect cell membranes assessed as reduction in conversion of kynuramine to 4-hydroxyquinoline by spectrophotometric assay
50001940	1	ChEMBL_1743519 (CHEMBL4178029)	Inhibition of Cryptosporidium parvum Iowa II mitogen-activated protein kinase
50001940	2	ChEMBL_1743512 (CHEMBL4178022)	Inhibition of Cryptosporidium parvum calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands
50001940	3	ChEMBL_1743516 (CHEMBL4178026)	Inhibition of Cryptosporidium parvum Iowa II cell division control protein 28
50001940	4	ChEMBL_1743529 (CHEMBL4178039)	Inhibition of TGFbeta-induced ALK5 in human HepG2 cells pretreated for 30 mins followed by TGFbeta stimulation measured after overnight incubation by luciferase reporter gene assay
50001940	5	ChEMBL_1743513 (CHEMBL4178023)	Inhibition of Cryptosporidium parvum Iowa II calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands
50001940	6	ChEMBL_1743511 (CHEMBL4178021)	Inhibition of Cryptosporidium parvum calcium-dependent protein kinase 2
50001940	7	ChEMBL_1743510 (CHEMBL4178020)	Inhibition of Cryptosporidium parvum Iowa II calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands
50001941	1	ChEMBL_1743734 (CHEMBL4178244)	Inhibition of recombinant human full length BTK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 90 mins by TR-FRET assay
50001941	2	ChEMBL_1743735 (CHEMBL4178245)	Inhibition of C57BL/6J mouse BTK assessed as decrease in anti-mouse IgM antibody stimulated BCR mediated CD69 upregulation preincubated for 30 mins followed by antibody challenge after 18 to 24 hrs by flow cytometry
50001941	3	ChEMBL_1743742 (CHEMBL4178252)	Inhibition of recombinant human full length ITK preincubated for 10 mins followed by Tk-biotin peptide substrate addition after 60 mins by TR-FRET assay
50001941	4	ChEMBL_1743743 (CHEMBL4178253)	Inhibition of TXK (unknown origin)
50001941	5	ChEMBL_1743744 (CHEMBL4178254)	Inhibition of JAK1 (unknown origin)
50001941	6	ChEMBL_1743745 (CHEMBL4178255)	Inhibition of JAK2 (unknown origin)
50001941	7	ChEMBL_1743746 (CHEMBL4178256)	Inhibition of recombinant human JAK3 (781 to 1124 residues) preincubated for 10 mins followed by poly-[Glu-Tyr(4:1) substrate addition after 60 mins in presence of ATP by Kinase-Glo assay
50001941	8	ChEMBL_1743747 (CHEMBL4178257)	Inhibition of human BMX
50001941	9	ChEMBL_1743748 (CHEMBL4178258)	Inhibition of human BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 hr followed by antibody challenge after 4 hrs by flow cytometry
50001941	10	ChEMBL_1743749 (CHEMBL4178259)	Inhibition of mouse BTK assessed as decrease in anti-mouse IgD antibody stimulated BCR mediated CD69 upregulation in whole blood preincubated for 1 hr followed by antibody challenge after 4 hrs by flow cytometry
50001941	11	ChEMBL_1743750 (CHEMBL4178260)	Inhibition of mouse BTK assessed as decrease in anti-CD3epsilon antibody stimulated TCR mediated CD69 upregulation in whole blood preincubated for 1 hr followed by antibody challenge after 4 hrs by flow cytometry
50001943	1	ChEMBL_1743818 (CHEMBL4178328)	Displacement of 8-NBD-cAMP from mouse EPAC2 by fluorescence assay
50001943	2	ChEMBL_1743822 (CHEMBL4178332)	Displacement of 8-NBD-cAMP from recombinant human EPAC1 by fluorescence assay
50001943	3	ChEMBL_1743820 (CHEMBL4178330)	Inhibition of EPAC1 (unknown origin)
50001943	4	ChEMBL_1743821 (CHEMBL4178331)	Inhibition of EPAC2 (unknown origin)
50001943	5	ChEMBL_1743823 (CHEMBL4178333)	Activation of EPAC1 DEP1 deletion mutant (unknown origin) expressed in mouse NIH-3T3-A14 cells assessed as increase in Rap1b- fluorescent nucleotide methylontraniloyl-GDP nucleotide exchange by fluorescence assay
50001944	1	ChEMBL_1743829 (CHEMBL4178339)	Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression system using His-tagged MCM2 as substrate preincubated for 10 mins followed by ATP addition by HTRF assay
50001944	2	ChEMBL_1743834 (CHEMBL4178344)	Inhibition of Cdc7 in human HeLa cells assessed as reduction in MCM2 phosphorylation at ser40 residues after 7 hrs by Western blot analysis
50001944	3	ChEMBL_1743830 (CHEMBL4178340)	Inhibition of recombinant human Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression system using histone H1 as substrate after 90 mins in presence of ATP by kinase-glo assay
50001944	4	ChEMBL_1743831 (CHEMBL4178341)	Inhibition of recombinant human N-terminal GST-tagged ROCK1 (1 to 477 residues) expressed in baculovirus expression system using biotin-STK substrate-2 as substrate preincubated for 5 mins followed by ATP addition after 2 hrs by TR-FRET assay
50001945	1	ChEMBL_1743840 (CHEMBL4178350)	Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A549 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA
50001945	2	ChEMBL_1743841 (CHEMBL4178351)	Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA
50001945	3	ChEMBL_1743846 (CHEMBL4178356)	Inhibition of EGFR T790M/L858R double mutant (unknown origin)
50001945	4	ChEMBL_1743850 (CHEMBL4178360)	Inhibition of EGFR T790M/exon 19 deletion mutant phosphorylation in human PC9-DRH cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA
50001945	5	ChEMBL_1743851 (CHEMBL4178361)	Inhibition of EGFR exon 19 deletion mutant phosphorylation in human PC9 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA
50001945	6	ChEMBL_1743852 (CHEMBL4178362)	Inhibition of EGFR L858R mutant phosphorylation in human H3255 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by sandwich ELISA
50001945	7	ChEMBL_1743872 (CHEMBL4178382)	Inhibition of human ERG
50001946	1	ChEMBL_1744032 (CHEMBL4178542)	Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]oleic acid by thin-layer chromatography
50001946	2	ChEMBL_1744031 (CHEMBL4178541)	Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]oleic acid by thin-layer chromatography
50001946	3	ChEMBL_1744033 (CHEMBL4178543)	Inhibition of African green monkey SOAT1 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]oleoyl-CoA by thin-layer chromatography
50001946	4	ChEMBL_1744034 (CHEMBL4178544)	Inhibition of African green monkey SOAT2 expressed in CHO cell microsomal fractions assessed as reduction in neutral lipid synthesis incubated for 6 hrs using [1-14C]oleoyl-CoA by thin-layer chromatography
50001947	1	ChEMBL_1744042 (CHEMBL4178552)	Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method
50001947	2	ChEMBL_1744044 (CHEMBL4178554)	Inhibition of human 17beta-HSD1 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estrone and NADPH by scintillation counting method
50001947	3	ChEMBL_1744048 (CHEMBL4178558)	Inhibition of aromatase (unknown origin)
50001947	4	ChEMBL_1744049 (CHEMBL4178559)	Displacement of estradiol from human ERalpha expressed in yeast cells
50001947	5	ChEMBL_1744050 (CHEMBL4178560)	Displacement of estradiol from human ERbetaa expressed in yeast cells
50001947	6	ChEMBL_1744051 (CHEMBL4178561)	Agonist activity at human ERalpha expressed in yeast cells
50001947	7	ChEMBL_1744052 (CHEMBL4178562)	Agonist activity at human AHR expressed in yeast cells
50001948	1	ChEMBL_1744057 (CHEMBL4178567)	Binding affinity to human PAD2 expressed in HEK293T cells assessed as protein occupancy preincubated for 15 mins followed by ionomycin addition measured after 1 hr in presence of CaCl2 by RIBFA probe based SDS-PAGE analysis
50001948	2	ChEMBL_1744059 (CHEMBL4178569)	Binding affinity to human PAD2 expressed in HEK293T cells assessed as decrease in histone H3 citrulination incubated for 3 hrs in presence of ionomycin/CaCl2 by SDS-PAGE analysis
50001949	1	ChEMBL_1744085 (CHEMBL4178595)	Activation of recombinant AMPKalpha2beta1gamma1 (unknown origin) expressed in Escherichia coli BL21 in presence of CaMKKbeta (unknown origin) incubated for 45 mins in presence of substrate-1 peptide and ATP by HTRF assay
50001950	1	ChEMBL_1744139 (CHEMBL4178649)	Inhibition of Mycobacterium tuberculosis LAT using L-lysine as substrate by spectroscopic method
50001951	1	ChEMBL_1744152 (CHEMBL4178662)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr by microbeta counting analysis
50001951	2	ChEMBL_1744153 (CHEMBL4178663)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 or CHO-K1 cells after 1 hr by microbeta counting analysis
50001951	3	ChEMBL_1744154 (CHEMBL4178664)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 or CHO-K1 cells after 1 hr by microbeta counting analysis
50001951	4	ChEMBL_1744151 (CHEMBL4178661)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 or CHO-K1 cells after 1 hr by microbeta counting analysis
50001951	5	ChEMBL_1744155 (CHEMBL4178665)	Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 or CHO-K1 cells after 1 hr by microbeta counting analysis
50001953	1	ChEMBL_1744231 (CHEMBL4178741)	Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay
50001953	2	ChEMBL_1744232 (CHEMBL4178742)	Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50001953	3	ChEMBL_1744234 (CHEMBL4178744)	Displacement of [3H]-R(-)-alpha-Methyl[imidazole-2.5(n)]histamine from human recombinant histamine H3 receptor expressed in CHOK1 cell membranes after 1 hr by scintillation counting method
50001953	4	ChEMBL_1744253 (CHEMBL4178763)	Antagonist activity at mouse GPR4 expressed in HEK cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay
50001953	5	ChEMBL_1744247 (CHEMBL4178757)	Antagonist activity at human GPR4 expressed in human HeLa cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins in presence of 40% rat plasma by HTRF assay
50001953	6	ChEMBL_1744240 (CHEMBL4178750)	Inhibition of TDAG8 (unknown origin) expressed in human HeLa cells assessed as reduction in cAMP accumulation
50001953	7	ChEMBL_1744239 (CHEMBL4178749)	Inhibition of OGR1 (unknown origin) expressed in human HeLa cells assessed as reduction in cAMP accumulation
50001953	8	ChEMBL_1744237 (CHEMBL4178747)	Antagonist activity at rat GPR4 expressed in HEK cells assessed as inhibition of IBMX-induced cAMP accumulation after 15 mins by HTRF assay
50001954	1	ChEMBL_1744330 (CHEMBL4178840)	Inhibition of Chikungunya virus nsP2 protease infected in African green monkey Vero cells assessed as inhibition of viral-induced cytopathic effect by titration assay
50001955	1	ChEMBL_1744394 (CHEMBL4178904)	Inhibition of His6-tagged USP7 (208 to 1102 residues) (unknown origin) using ubiquitin-rhodamine110 as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by fluorescence assay
50001956	1	ChEMBL_1744397 (CHEMBL4178907)	Inhibition of heparanase (unknown origin) assessed as reduction in AGA*IA cleavage after 3 hrs by WST1 dye based colorimetric assay
50001956	2	ChEMBL_1744396 (CHEMBL4178906)	Inhibition of mouse B16-BL6 cells derived heparanase using [3H]HS as substrate after 6 hrs by size exclusion chromatography based liquid scintillation counting method
50001957	1	ChEMBL_1744410 (CHEMBL4178920)	Inhibition of recombinant human HDAC1 (482 residues) expressed in baculovirus infected insect cells preincubated with enzyme followed by flour de lys-green substrate addition measured after 1 hr by fluorescence assay
50001957	2	ChEMBL_1744412 (CHEMBL4178922)	Inhibition of recombinant human His-tagged HDAC6 expressed in baculovirus infected insect cells preincubated with enzyme followed by flour de lys-green substrate addition measured after 1 hr by fluorescence assay
50001957	3	ChEMBL_1744411 (CHEMBL4178921)	Inhibition of recombinant human HDAC2 preincubated with enzyme followed by flour de lys-green substrate addition measured after 1 hr by fluorescence assay
50001959	1	ChEMBL_1744439 (CHEMBL4178949)	Inhibition of Bacillus cereus beta-lactamase AmpC using CENTA as substrate up to 30 mins by Lineweaver-Burk plot analysis
50001960	1	ChEMBL_1744447 (CHEMBL4178957)	Antagonist activity at human alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as reduction in acetylcholine-induced peak current at -60 mV holding potential by electrophysiology method
50001961	1	ChEMBL_1744479 (CHEMBL4178989)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 mins followed by capsaicin addition by Fluo-4 dye based FLIPR assay
50001961	2	ChEMBL_1744480 (CHEMBL4178990)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of NADA-induced intracellular calcium level preincubated with cells followed by NADA addition by Fluo-4 dye based FLIPR assay
50001961	3	ChEMBL_1744481 (CHEMBL4178991)	Antagonist activity at pH 6 to 6.3 activated human TRPV1 expressed in CHO cells assessed as inhibition of intracellular calcium level preincubated with cells followed by receptor activation by Fluo-4 dye based FLIPR assay
50001961	4	ChEMBL_1744482 (CHEMBL4178992)	Antagonist activity at elevated temperature activated human TRPV1 expressed in CHO cells assessed as inhibition of intracellular calcium level preincubated for 5 mins followed by receptor activation by increasing temperature to 45 degC by Fluo-4 dye based FLIPR assay
50001961	5	ChEMBL_1744483 (CHEMBL4178993)	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 mins followed by capsaicin addition by Fluo-4 dye based FLIPR assay
50001962	1	ChEMBL_1744502 (CHEMBL4179012)	Inhibition of JAK3 (unknown origin) by ELISA
50001962	2	ChEMBL_1744503 (CHEMBL4179013)	Time-dependent inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in sf21 cells using biotinylated peptide substrate after 1 hr by DELFIA
50001962	3	ChEMBL_1744504 (CHEMBL4179014)	Time-dependent inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in sf21 cells using biotinylated peptide substrate after 1 hr by DELFIA
50001962	4	ChEMBL_1744506 (CHEMBL4179016)	Inhibition of JAK3 (unknown origin)
50001962	5	ChEMBL_1744507 (CHEMBL4179017)	Inhibition of BLK (unknown origin)
50001962	6	ChEMBL_1744508 (CHEMBL4179018)	Inhibition of ERBB4 (unknown origin)
50001962	7	ChEMBL_1744513 (CHEMBL4179023)	Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate by fluorescence caliper assay
50001962	8	ChEMBL_1744517 (CHEMBL4179027)	Inhibition of JAK3/JAK1 in mouse CTLL-2 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation
50001962	9	ChEMBL_1744518 (CHEMBL4179028)	Inhibition of JAK1/JAK3 in human PBMC CD3+/CD8+ T cells assessed as reduction in IL7-stimulated STAT5 phosphorylation
50001962	10	ChEMBL_1744519 (CHEMBL4179029)	Inhibition of JAK1/JAK3 in human whole blood CD3+/CD4+ T cells assessed as reduction in IL7-stimulated STAT5 phosphorylation
50001962	11	ChEMBL_1744509 (CHEMBL4179019)	Inhibition of ITK (unknown origin)
50001963	1	ChEMBL_1744523 (CHEMBL4179033)	Agonist activity at human neuropeptide Y2 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 120 mins by liquid scintillation counting method
50001963	2	ChEMBL_1744522 (CHEMBL4179032)	Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based method
50001963	3	ChEMBL_1744545 (CHEMBL4179055)	Agonist activity at rat neuropeptide Y2 receptor by [35S]GTPgammaS binding assay
50001963	4	ChEMBL_1744546 (CHEMBL4179056)	Agonist activity at human neuropeptide Y1 receptor by [35S]GTPgammaS binding assay
50001963	5	ChEMBL_1744547 (CHEMBL4179057)	Agonist activity at rat neuropeptide Y4 receptor by [35S]GTPgammaS binding assay
50001964	1	ChEMBL_1744575 (CHEMBL4179085)	Inhibition of VEGFR2 (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001964	2	ChEMBL_1744576 (CHEMBL4179086)	Inhibition of BRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001964	3	ChEMBL_1744577 (CHEMBL4179087)	Inhibition of CRAF (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001964	4	ChEMBL_1744578 (CHEMBL4179088)	Inhibition of c-MET (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001964	5	ChEMBL_1744579 (CHEMBL4179089)	Inhibition of EGFR (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001964	6	ChEMBL_1744580 (CHEMBL4179090)	Inhibition of FLT3 (unknown origin) incubated for 10 mins using FAM-labeled peptide and ATP by mobility shift assay
50001965	1	ChEMBL_1744656 (CHEMBL4179166)	Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in Sprague-Dawley rat brain cortex homogenates incubated for 30 mins by liquid scintillation spectrometry
50001965	2	ChEMBL_1744657 (CHEMBL4179167)	Displacement of [3H]ketanserin from serotonin 5-HT2A receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintillation spectrometry
50001965	3	ChEMBL_1744658 (CHEMBL4179168)	Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintillation spectrometry
50001965	4	ChEMBL_1744659 (CHEMBL4179169)	Displacement of [3H]prazosin from adrenergic alpha1 receptor in rat cerebral cortex
50001965	5	ChEMBL_1744660 (CHEMBL4179170)	Displacement of [3H]RX 821002 from adrenergic alpha2 receptor in rat cerebral cortex
50001965	6	ChEMBL_1744661 (CHEMBL4179171)	Displacement of [3H]SCH-23390 from human recombinant dopamine D1 receptor expressed in CHO cells
50001965	7	ChEMBL_1744662 (CHEMBL4179172)	Displacement of [3H]methyl-spiperone from human recombinant dopamine D2 receptor expressed in HEK293 cells
50001965	8	ChEMBL_1744663 (CHEMBL4179173)	Antagonist activity at 5-HT2A receptor in Sprague-Dawley rat ielum assessed as reduction in 5-HT-evoked contraction
50001966	1	ChEMBL_1744706 (CHEMBL4179216)	Binding affinity to Syrian hamster PrPC assessed as inhibition of PrPC protein conversion to PrPSc by Western blot
50001966	2	ChEMBL_1744704 (CHEMBL4179214)	Binding affinity to Syrian hamster PrPC
50001967	1	ChEMBL_1744716 (CHEMBL4179226)	Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition
50001968	1	ChEMBL_1744748 (CHEMBL4179258)	Inhibition of N-terminal His-tagged human PI3K p110beta/p85alpha expressed in Sf9 insect cells by HTRF assay
50001968	2	ChEMBL_1744747 (CHEMBL4179257)	Inhibition of N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in Sf9 insect cells by HTRF assay
50001968	3	ChEMBL_1744749 (CHEMBL4179259)	Inhibition of N-terminal His-tagged human PI3K p110delta/p85alpha expressed in Sf9 insect cells by HTRF assay
50001969	1	ChEMBL_1744757 (CHEMBL4179267)	Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins by luminescence based assay
50001970	1	ChEMBL_1744886 (CHEMBL4179396)	Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrate and NAD+ by fluorescence based assay
50001970	2	ChEMBL_1744887 (CHEMBL4179397)	Inhibition of human recombinant SIRT1 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrate and NAD+ by fluorescence based assay
50001970	3	ChEMBL_1744888 (CHEMBL4179398)	Inhibition of human recombinant SIRT2 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrate and NAD+ by fluorescence based assay
50001971	1	ChEMBL_1744966 (CHEMBL4179476)	Inhibition of EGFR in human NCI-H460 cells assessed as reduction in cell viability after 72 hrs by MTT assay
50001971	2	ChEMBL_1744968 (CHEMBL4179478)	Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay
50001971	3	ChEMBL_1744972 (CHEMBL4179482)	Inhibition of wild-type EGFR (unknown origin)
50001971	4	ChEMBL_1744974 (CHEMBL4179484)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50001971	5	ChEMBL_1744965 (CHEMBL4179475)	Inhibition of EGFR E746_A750 deletion/T790M mutant in human growth-resistant PC9 cells assessed as reduction in cell viability after 72 hrs by MTT assay
50001971	6	ChEMBL_1744964 (CHEMBL4179474)	Inhibition of EGFR E746_A750 deletion mutant in human PC9 cells assessed as reduction in cell viability after 72 hrs by MTT assay
50001971	7	ChEMBL_1744975 (CHEMBL4179485)	Inhibition of EGFR exon 19 deletion mutant (unknown origin)
50001971	8	ChEMBL_1744971 (CHEMBL4179481)	Inhibition of EGFR (unknown origin)
50001971	9	ChEMBL_1744973 (CHEMBL4179483)	Inhibition of EGFR L858R mutant (unknown origin)
50001971	10	ChEMBL_1744967 (CHEMBL4179477)	Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay
50001972	1	ChEMBL_1744978 (CHEMBL4179488)	Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro-Phe-His-Leu-Val-IleHis-Thr-Lys(5,6 Tamra)-Arg-CONH2 as substrate measured after 2 hrs
50001972	2	ChEMBL_1744979 (CHEMBL4179489)	Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay
50001972	3	ChEMBL_1744980 (CHEMBL4179490)	Inhibition of human CYP3A4 expressed in Escherichia coli co-expressing CYP-reductase using diethoxyfluorescein as substrate measured after 10 mins by fluorescence assay
50001972	4	ChEMBL_1744982 (CHEMBL4179492)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in enzyme-mediated conversion of midazolam to 1-hydroxymidazolam measured after 5 mins by LC-MS analysis
50001973	1	ChEMBL_1745018 (CHEMBL4179528)	Inhibition of human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by fluorescence-based Amplex Red MAO assay
50001973	2	ChEMBL_1745019 (CHEMBL4179529)	Inhibition of human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by fluorescence-based Amplex Red MAO assay
50001974	1	ChEMBL_1745056 (CHEMBL4179566)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting method
50001974	2	ChEMBL_1745055 (CHEMBL4179565)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR1 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting method
50001974	3	ChEMBL_1745059 (CHEMBL4179569)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR5 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting method
50001974	4	ChEMBL_1745058 (CHEMBL4179568)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR4 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting method
50001974	5	ChEMBL_1745057 (CHEMBL4179567)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR3 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting method
50001975	1	ChEMBL_1745082 (CHEMBL4179592)	Inhibition of recombinant human BACE1 using acetyl-C(W8044-Eu)-EVNLDAEFK-QSY7 as substrate measured after 60 mins by time-resolved fluorescence quenching assay
50001976	1	ChEMBL_1745120 (CHEMBL4179630)	Inhibition of recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate by HTRF assay
50001976	2	ChEMBL_1745162 (CHEMBL4179672)	Inhibition of human ERG by Tracer Red dye based fluorescence polarization assay
50001976	3	ChEMBL_1745121 (CHEMBL4179631)	Inhibition of full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression system by ADP Hunter assay
50001976	4	ChEMBL_1745122 (CHEMBL4179632)	Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate by HTRF assay
50001976	5	ChEMBL_1745124 (CHEMBL4179634)	Inhibition of p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay
50001976	6	ChEMBL_1745127 (CHEMBL4179637)	Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-labeled kinase tracer 314 based LanthaScreen assay
50001977	1	ChEMBL_1745213 (CHEMBL4179723)	Inhibition of soybean lipoxygenase using sodium linoleate as substrate measured after 7 mins
50001978	1	ChEMBL_1745404 (CHEMBL4179914)	Inhibition of human Nav1.5 by Q-patch clamp electrophysiology method
50001978	2	ChEMBL_1745408 (CHEMBL4179918)	Agonist activity at human 5-HT1B receptor expressed in HeLa cells assessed as increase in cAMP accumulation measured after 20 mins by HTRF method
50001978	3	ChEMBL_1745252 (CHEMBL4179762)	Inhibition of human Nav1.7 expressed in HEK cells by automated patchXpress electrophysiology method
50001978	4	ChEMBL_1745257 (CHEMBL4179767)	Inhibition of human Nav1.5 expressed in HEK cells by automated patchXpress electrophysiology method
50001978	5	ChEMBL_1745411 (CHEMBL4179921)	Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 min by scintillation counting method
50001978	6	ChEMBL_1745412 (CHEMBL4179922)	Displacement of [3H]BTCP from recombinant human dopamine transporter after 120 mins by scintillation counting method
50001978	7	ChEMBL_1745413 (CHEMBL4179923)	Displacement of [3H]hemicholinium-3 from recombinant human choline transporter after 60 mins by scintillation counting method
50001978	8	ChEMBL_1745414 (CHEMBL4179924)	Inhibition of recombinant human COX2 using arachidonic acid as substrate measured after 5 mins by fluorescence assay
50001978	9	ChEMBL_1745422 (CHEMBL4179932)	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells by voltage clamp electrophysiology method
50001978	10	ChEMBL_1745251 (CHEMBL4179761)	Inhibition of human Nav1.7 expressed in HEK cells by patch clamp electrophysiology method
50001978	11	ChEMBL_1745296 (CHEMBL4179806)	Inhibition of CYP1A2 (unknown origin)
50001978	12	ChEMBL_1745294 (CHEMBL4179804)	Inhibition of CYP2C8 (unknown origin)
50001978	13	ChEMBL_1745295 (CHEMBL4179805)	Inhibition of CYP2C9 (unknown origin)
50001978	14	ChEMBL_1745262 (CHEMBL4179772)	Inhibition of human Nav1.1 expressed in HEK cells by patch clamp electrophysiology method
50001978	15	ChEMBL_1745263 (CHEMBL4179773)	Inhibition of human Nav1.2 expressed in HEK cells by patch clamp electrophysiology method
50001978	16	ChEMBL_1745264 (CHEMBL4179774)	Inhibition of human Nav1.3 expressed in HEK cells by patch clamp electrophysiology method
50001978	17	ChEMBL_1745265 (CHEMBL4179775)	Inhibition of human Nav1.4 expressed in HEK cells by patch clamp electrophysiology method
50001978	18	ChEMBL_1745267 (CHEMBL4179777)	Inhibition of human Nav1.6 expressed in HEK cells by patch clamp electrophysiology method
50001978	19	ChEMBL_1745268 (CHEMBL4179778)	Inhibition of mouse Nav1.7 expressed in HEK cells by patch clamp electrophysiology method
50001978	20	ChEMBL_1745269 (CHEMBL4179779)	Inhibition of rat Nav1.7 expressed in HEK cells by patch clamp electrophysiology method
50001978	21	ChEMBL_1745317 (CHEMBL4179827)	Inhibition of rat Nav1.6 expressed in HEK cells by patch clamp electrophysiology method
50001978	22	ChEMBL_1745318 (CHEMBL4179828)	Inhibition of human Nav1.9 expressed in HEK cells by automated patchXpress electrophysiology method
50001978	23	ChEMBL_1745297 (CHEMBL4179807)	Inhibition of CYP2C19 (unknown origin)
50001978	24	ChEMBL_1745298 (CHEMBL4179808)	Inhibition of CYP2D6 (unknown origin)
50001978	25	ChEMBL_1745299 (CHEMBL4179809)	Inhibition of CYP3A4 (unknown origin)
50001978	26	ChEMBL_1745405 (CHEMBL4179915)	Inhibition of human ERG by PatchXpress electrophysiology method
50001978	27	ChEMBL_1745406 (CHEMBL4179916)	Displacement of [3H]Dofetilide from recombinant human ERG after 60 mins by scintillation counting method
50001978	28	ChEMBL_1745407 (CHEMBL4179917)	Agonist activity at recombinant human adenosine A1 receptor expressed in mouse BA/F3 cells assessed as increase in calcium flux by spectrophotometric method
50001979	1	ChEMBL_1745494 (CHEMBL4180004)	Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs
50001979	2	ChEMBL_1745495 (CHEMBL4180005)	Inhibition of Trypanosoma cruzi trans-sialidase using Trifluoromethylumbelliferyl alpha-sialoside as substrate by UV/visible spectrophotometer
50001980	1	ChEMBL_1745590 (CHEMBL4180100)	Inhibition of recombinant human HCK SH3-SH2-KD (75 to 526 residues) after 20 mins by mobility shift assay
50001980	2	ChEMBL_1745589 (CHEMBL4180099)	Inhibition of recombinant human C-terminal FLT3 ITD mutant (571 to 993 residues) after 90 mins by mobility shift assay
50001981	1	ChEMBL_1745592 (CHEMBL4180102)	Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50001982	1	ChEMBL_1745604 (CHEMBL4180114)	Inhibition of human Nav1.7 expressed in CHO-K1 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp assay
50001982	2	ChEMBL_1745660 (CHEMBL4180170)	Inhibition of human Nav1.4 at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp assay
50001982	3	ChEMBL_1745661 (CHEMBL4180171)	Inhibition of human ERG by Qpatch clamp assay
50001982	4	ChEMBL_1745611 (CHEMBL4180121)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50001982	5	ChEMBL_1745612 (CHEMBL4180122)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50001982	6	ChEMBL_1745609 (CHEMBL4180119)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50001982	7	ChEMBL_1745610 (CHEMBL4180120)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50001982	8	ChEMBL_1745608 (CHEMBL4180118)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50001982	9	ChEMBL_1745659 (CHEMBL4180169)	Inhibition of human Nav1.5 expressed in HEK293 cells at -120 mV holding potential incubated over 5 mins measured at 15 secs interval by Qpatch clamp assay
50001983	1	ChEMBL_1745688 (CHEMBL4180198)	Inhibition of LSD1 (unknown origin)
50001984	1	ChEMBL_1745714 (CHEMBL4180224)	Inhibition of human ERG expressed in Xenopus laevis oocytes by two-electrode voltage clamp assay
50001985	1	ChEMBL_1745945 (CHEMBL4180455)	Inhibition of zebrafish embryo tyrosinase assessed as melanin production after 48 hrs
50001985	2	ChEMBL_1745946 (CHEMBL4180456)	Inhibition of zebrafish embryo tyrosinase assessed as residual activity after 48 hrs
50001986	1	ChEMBL_1745955 (CHEMBL4180465)	Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by Fluo-4 AM dye based FLIPR assay
50001986	2	ChEMBL_1745956 (CHEMBL4180466)	Antagonist activity at human 5-HT3A receptor expressed in HEK293 cells assessed as inhibition of 5-HT-induced calcium flux preincubated for 30 mins prior to 5-HT addition by Fluo-4 AM dye based FLIPR assay
50001986	3	ChEMBL_1745962 (CHEMBL4180472)	Binding affinity to human alpha7 nAChR
50001986	4	ChEMBL_1745961 (CHEMBL4180471)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes after 2 hrs by topcount scintillation counting analysis
50001986	5	ChEMBL_1745960 (CHEMBL4180470)	Displacement of [125I]alpha-bungarotoxin from rat alpha7 nAChR expressed in HEK293 cell membranes after 2 hrs by topcount scintillation counting analysis
50001986	6	ChEMBL_1745958 (CHEMBL4180468)	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as increase in calcium flux measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50001986	7	ChEMBL_1745963 (CHEMBL4180473)	Binding affinity to 5-HT3A receptor (unknown origin)
50001986	8	ChEMBL_1745959 (CHEMBL4180469)	Agonist activity at rat alpha4beta2 nAChR expressed in HEK293 cells assessed as increase in calcium flux measured for 2 mins by Fluo-4-AM dye based FLIPR assay
50001987	1	ChEMBL_1745981 (CHEMBL4180491)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-methylcoumarin as substrate by fluorometric method
50001988	1	ChEMBL_1746012 (CHEMBL4180522)	Inhibition of wild-type HCV genotype 1b BK NS5B Cdelta55 RNA dependent RNA polymerase using RNA as substrate after 1 hr in presence of NTPs by [33P]-CTP based topcount assay
50001989	1	ChEMBL_1746041 (CHEMBL4180551)	Agonist activity at beta2 adrenergic receptor in rat L6 cell lysate assessed as increase in intracellular 2-deoxyglucose uptake preincubated for 4 hrs followed by 2-deoxyglucose addition measured after 20 mins by fluorescence-based enzymatic assay relative to control
50001990	1	ChEMBL_1746061 (CHEMBL4180571)	Inhibition of recombinant human Cav3.1 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 3 mins followed by CaCl2 stimulation by Fluo-4AM dye based FLIPR assay
50001990	2	ChEMBL_1746062 (CHEMBL4180572)	Inhibition of recombinant human Cav3.2 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 3 mins followed by CaCl2 stimulation by Fluo-4AM dye based FLIPR assay
50001990	3	ChEMBL_1746063 (CHEMBL4180573)	Inhibition of recombinant human Cav3.3 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 3 mins followed by CaCl2 stimulation by Fluo-4AM dye based FLIPR assay
50001990	4	ChEMBL_1746073 (CHEMBL4180583)	Inhibition of Cav1.2 (unknown origin)
50001991	1	ChEMBL_1746079 (CHEMBL4180589)	Inhibition of CDK4 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kinase assay
50001991	2	ChEMBL_1746080 (CHEMBL4180590)	Inhibition of CDK1 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kinase assay
50001991	3	ChEMBL_1746078 (CHEMBL4180588)	Inhibition of CDK6 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kinase assay
50001992	1	ChEMBL_1746104 (CHEMBL4180614)	Inhibition of recombinant human Cav3.3 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 mins measured at 10 secs interval for 2 to 6 mins by Fluo-4AM dye based FLIPR assay
50001992	2	ChEMBL_1746102 (CHEMBL4180612)	Inhibition of recombinant human Cav3.1 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 mins measured at 10 secs interval for 2 to 6 mins by Fluo-4AM dye based FLIPR assay
50001992	3	ChEMBL_1746103 (CHEMBL4180613)	Inhibition of recombinant human Cav3.2 expressed in HEK293 cells assessed as reduction in CaCl2-induced intracellular calcium flux incubated for 20 mins measured at 10 secs interval for 2 to 6 mins by Fluo-4AM dye based FLIPR assay
50001992	4	ChEMBL_1746107 (CHEMBL4180617)	Inhibition of Cav3.1 (unknown origin) by patch clamp method
50001992	5	ChEMBL_1746108 (CHEMBL4180618)	Inhibition of Cav3.2 (unknown origin) by patch clamp method
50001992	6	ChEMBL_1746101 (CHEMBL4180611)	Inhibition of human ERG
50001992	7	ChEMBL_1746100 (CHEMBL4180610)	Inhibition of Cav1.2 (unknown origin)
50001993	1	ChEMBL_1746128 (CHEMBL4180638)	Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by substrate addition measured after 10 mins by spectrophotometric method
50001993	2	ChEMBL_1746126 (CHEMBL4180636)	Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrate addition measured after 10 mins by spectrophotometric method
50001993	3	ChEMBL_1746127 (CHEMBL4180637)	Inhibition of Escherichia coli alpha-galactosidase using p-nitrophenyl-alpha-D-galactopyranoside as substrate preincubated for 1 hr followed by substrate addition measured after 10 mins by spectrophotometric method
50001994	1	ChEMBL_1746132 (CHEMBL4180642)	Inhibition of ALR1 in Wistar rat kidney assessed as reduction in NADPH consumption preincubated for 1 min followed by substrate addition measured after 4 mins by spectrophotometric analysis
50001994	2	ChEMBL_1746131 (CHEMBL4180641)	Inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition measured after 4 mins by spectrophotometric analysis
50001994	3	ChEMBL_1746141 (CHEMBL4180651)	Uncompetitive inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate
50001994	4	ChEMBL_1746137 (CHEMBL4180647)	Inhibition of recombinant human AKR1B1 using D,L-glyceraldehyde as substrate
50001994	5	ChEMBL_1746140 (CHEMBL4180650)	Uncompetitive inhibition of ALR2 in Wistar rat eye lens assessed as reduction in NADPH consumption preincubated for 1 min followed by D,L-glyceraldehyde addition measured after 4 mins by spectrophotometric analysis
50001994	6	ChEMBL_1746136 (CHEMBL4180646)	Inhibition of recombinant human AKR1B10
50001995	1	ChEMBL_1746157 (CHEMBL4180667)	Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO-K1 cell membranes after 1.5 hrs by liquid scintillation counting assay
50001995	2	ChEMBL_1746153 (CHEMBL4180663)	Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cell membranes assessed as induction of [3H]CP55,940 binding after 1.5 hrs by liquid scintillation counting assay
50001995	3	ChEMBL_1746156 (CHEMBL4180666)	Negative allosteric modulation of human CB1 receptor expressed in HEK293 cells assessed as inhibition of 33 nM CP55,940-induced SRE transcriptional activity after 5 hrs by luciferase reporter gene assay
50001995	4	ChEMBL_1746161 (CHEMBL4180671)	Inhibition of MAGL in human U937 cell homogenate assessed as decrease in [ethanolamine-1-3H]AEA levels preincubated for 30 mins followed by AEA addition measured after 15 mins by liquid scintillation counting method
50001995	5	ChEMBL_1746160 (CHEMBL4180670)	Inhibition of FAAH in human U937 cell homogenate assessed as decrease in [ethanolamine-1-3H]AEA levels preincubated for 30 mins followed by AEA addition measured after 15 mins by liquid scintillation counting method
50001996	1	ChEMBL_1746163 (CHEMBL4180673)	Displacement of 1,8-ANS from human N-terminal His-tagged RORgammat LBD (850 to 1635 residues) expressed in Escherichia coli by thermofluor assay
50001996	2	ChEMBL_1746164 (CHEMBL4180674)	Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by dual-glo luciferase reporter gene assay
50001998	1	ChEMBL_1746166 (CHEMBL4180676)	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate after 60 mins by resazurin dye based fluorescence assay
50001998	2	ChEMBL_1746167 (CHEMBL4180677)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production after 48 hrs by LC-MS/MS analysis
50001998	3	ChEMBL_1746181 (CHEMBL4180691)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production
50001998	4	ChEMBL_1746171 (CHEMBL4180681)	Inhibition of IDH1 (unknown origin) using isocitrate as substrate after 60 mins by resazurin dye based fluorescence assay
50001998	5	ChEMBL_1746172 (CHEMBL4180682)	Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-ketoglutarate as substrate pretreated for 60 mins followed by substrate addition measured after 60 mins by resazurin dye based fluorescence assay
50001998	6	ChEMBL_1746180 (CHEMBL4180690)	Inhibition of IDH1 R132H mutant (unknown origin)
50001999	1	ChEMBL_1746213 (CHEMBL4180723)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50001999	2	ChEMBL_1746221 (CHEMBL4180731)	Positive allosteric modulation of human M1 receptor assessed as increase in acetylcholine-induced response
50001999	3	ChEMBL_1746222 (CHEMBL4180732)	Positive allosteric modulation of human M2 receptor assessed as increase in acetylcholine-induced response
50001999	4	ChEMBL_1746223 (CHEMBL4180733)	Positive allosteric modulation of human M3 receptor assessed as increase in acetylcholine-induced response
50001999	5	ChEMBL_1746224 (CHEMBL4180734)	Positive allosteric modulation of human M5 receptor assessed as increase in acetylcholine-induced response
50002000	1	ChEMBL_1746250 (CHEMBL4180760)	Inhibition of SHP2 F285S mutant (1 to 525 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DIFMUP as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50002001	1	ChEMBL_1746300 (CHEMBL4180810)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP
50002001	2	ChEMBL_1746299 (CHEMBL4180809)	Inhibition of recombinant human N-terminal GST-His6 tagged PDGFRalpha (Q551 to L1089 residues) expressed in Sf9 insect cells using poly(Ala,Glu,Lys,Tyr)6:2:5:1 hydrobromide as substrate in presence of [gamma-33P]ATP
50002002	1	ChEMBL_1746385 (CHEMBL4180895)	Inhibition of IDH1 R132C mutant (unknown origin)
50002002	2	ChEMBL_1746387 (CHEMBL4180897)	Inhibition of human N-terminal Strep-tagged IDH1 R132C mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50002002	3	ChEMBL_1746392 (CHEMBL4180902)	Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assay
50002002	4	ChEMBL_1746391 (CHEMBL4180901)	Inhibition of IDH1 R132C mutant (unknown origin) using alphaKG as substrate after 90 mins by fluorescence assay
50002002	5	ChEMBL_1746390 (CHEMBL4180900)	Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 90 mins by fluorescence assay
50002002	6	ChEMBL_1746388 (CHEMBL4180898)	Inhibition of IDH1 R132H mutant (unknown origin)
50002002	7	ChEMBL_1746386 (CHEMBL4180896)	Inhibition of human N-terminal Strep-tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alphaKG as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50002002	8	ChEMBL_1746393 (CHEMBL4180903)	Inhibition of IDH1 R132C mutant (unknown origin) using alphaKG as substrate after 2 hrs by fluorescence assay
50002002	9	ChEMBL_1746389 (CHEMBL4180899)	Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate after 45 mins by LC-MS analysis
50002003	1	ChEMBL_1746403 (CHEMBL4180913)	Inhibition of rat brain AChE using acetylthiocholine iodide as substrate by spectroscopic method
50002004	1	ChEMBL_1746749 (CHEMBL4181259)	Agonist activity at human FFAR1 expressed in CHO cells assessed as increase in intracellular calcium level by Fluo 4-AM dye-based FLIPR assay
50002004	2	ChEMBL_1746748 (CHEMBL4181258)	Agonist activity at human FFAR4 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by luminescence assay
50002005	1	ChEMBL_1746759 (CHEMBL4181269)	Antagonist activity at recombinant full length EPAC1 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange activity
50002005	2	ChEMBL_1746760 (CHEMBL4181270)	Antagonist activity at recombinant full length EPAC2 (unknown origin) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange activity
50002005	3	ChEMBL_1746761 (CHEMBL4181271)	Antagonist activity at recombinant human GST-fused EPAC1 (149 to 881 residues) expressed in Escherichia coli Rosetta (DE3) assessed as inhibition of cAMP-mediated Rap1b-BODIPY GDP nucleotide exchange activity by fluorescence assay
50002006	1	ChEMBL_1746765 (CHEMBL4181275)	Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay
50002006	2	ChEMBL_1746764 (CHEMBL4181274)	Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay
50002006	3	ChEMBL_1746772 (CHEMBL4181282)	Inhibition of GST-tagged TCPTP (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay
50002006	4	ChEMBL_1746770 (CHEMBL4181280)	Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay
50002008	1	ChEMBL_1746780 (CHEMBL4181290)	Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured after 1 min
50002008	2	ChEMBL_1746781 (CHEMBL4181291)	Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta addition measured after 16 to 20 hrs by HTRF method
50002008	3	ChEMBL_1746784 (CHEMBL4181294)	Inhibition of mPGES1 in human whole blood assessed as inhibition of LPS-induced PGE2 production measured after 20 to 24 hrs
50002008	4	ChEMBL_1746815 (CHEMBL4181325)	Inhibition of recombinant human 5-LO expressed in Sf9 cells using arachidonic acid as substrate by rhodamine123 based fluorescence assay
50002008	5	ChEMBL_1746873 (CHEMBL4181383)	Inhibition of recombinant human mPGES1 using PGH2 as substrate pretreated for 25 mins followed by substrate addition measured after 60 secs by HTRF assay
50002008	6	ChEMBL_1746811 (CHEMBL4181321)	Displacement of [3H]PK 11195 from rat heart peripheral-type benzodiazepine receptor
50002009	1	ChEMBL_1746882 (CHEMBL4181392)	Inhibition of recombinant human N-terminal His-tagged FAK cytoplasmic domain (393 to 698 residues) expressed in baculovirus infected sf9 cells assessed as reduction in autophosphorylation after 60 mins by ADP-Glo kinase assay
50002010	1	ChEMBL_1746939 (CHEMBL4181449)	Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 preincubated for 10 mins followed by MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 peptide substrate addition measured after 30 mins by fluorescence analysis
50002010	2	ChEMBL_1746940 (CHEMBL4181450)	Inhibition of recombinant human C-terminal 10-His tagged KLK5 preincubated for 10 mins followed by Boc-Val-Pro-Arg-MCA peptide substrate addition measured after 30 mins by fluorescence analysis
50002010	3	ChEMBL_1746937 (CHEMBL4181447)	Inhibition of human trypsin preincubated for 10 mins followed by Boc-Gln-Ala-Arg-MCA peptide substrate addition measured after 30 mins by fluorescence analysis
50002012	1	ChEMBL_1747052 (CHEMBL4181562)	Agonist activity at human GPR119 expressed in CHOK1 cells co-expressing CRE-luciferase after 6 hrs by luciferase reporter gene assay
50002013	1	ChEMBL_1747068 (CHEMBL4181578)	Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay
50002013	2	ChEMBL_1747074 (CHEMBL4181584)	Activation of human PPARgamma LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay
50002013	3	ChEMBL_1747067 (CHEMBL4181577)	Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gene assay
50002013	4	ChEMBL_1747075 (CHEMBL4181585)	Transactivation of yeast GAL4 DNA binding domain-fused PPARgamma LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gene assay
50002013	5	ChEMBL_1747076 (CHEMBL4181586)	Binding affinity to His-tagged PPARdelta (unknown origin) by SPR assay
50002013	6	ChEMBL_1747072 (CHEMBL4181582)	Activation of human PPARalpha LBD expressed in CHO-K1 cells by beta galactosidase enzyme fragment complement based fluorescence assay
50002013	7	ChEMBL_1747073 (CHEMBL4181583)	Transactivation of yeast GAL4 DNA binding domain-fused PPARalpha LBD (unknown origin) expressed in CV-1 cells after 24 hrs by luciferase reporter gene assay
50002014	1	ChEMBL_1747140 (CHEMBL4181650)	Inhibition of CYP3A4 (unknown origin) after 20 mins
50002014	2	ChEMBL_1747135 (CHEMBL4181645)	Inhibition of human ERG
50002015	1	ChEMBL_1747145 (CHEMBL4181655)	Inhibition of recombinant C-terminal his6-tagged B-Raf (437 to 765 residues) V600E mutant (unknown origin) catalytic domain expressed in baculovirus infected Sf21 insect cells using biotinylated Mek substrate preincubated for 60 mins measured after 3 hrs by amplified luminescence proximity homogeneous assay
50002015	2	ChEMBL_1747148 (CHEMBL4181658)	Inhibition of P38 (unknown origin)
50002015	3	ChEMBL_1747153 (CHEMBL4181663)	Inhibition of PDGFRalpha (unknown origin)
50002015	4	ChEMBL_1747146 (CHEMBL4181656)	Inhibition of B-Raf V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation
50002015	5	ChEMBL_1747150 (CHEMBL4181660)	Inhibition of VEGFR2 (unknown origin)
50002015	6	ChEMBL_1747154 (CHEMBL4181664)	Inhibition of Kit (unknown origin)
50002015	7	ChEMBL_1747155 (CHEMBL4181665)	Inhibition of EphA4 (unknown origin)
50002015	8	ChEMBL_1747157 (CHEMBL4181667)	Inhibition of Lyn (unknown origin)
50002015	9	ChEMBL_1747156 (CHEMBL4181666)	Inhibition of EphB4 (unknown origin)
50002016	1	ChEMBL_1747162 (CHEMBL4181672)	Inhibition of bovine beta-trypsin incubated for 5 mins using BAPNA as substrate by colorimetric assay
50002017	1	ChEMBL_1747163 (CHEMBL4181673)	Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced cAMP accumulation preincubated for 10 mins followed by forskolin stimulation measured after 10 to 60 mins by ELISA based chemiluminescence assay
50002017	2	ChEMBL_1747164 (CHEMBL4181674)	Antagonist activity at CRTh2 (unknown origin) assessed as inhibition of CD11b activation
50002018	1	ChEMBL_1747167 (CHEMBL4181677)	Inhibition of Plasmodium falciparum DHFR
50002018	2	ChEMBL_1747169 (CHEMBL4181679)	Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 mins by spectrofluorimetric method
50002018	3	ChEMBL_1747170 (CHEMBL4181680)	Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophotometric method
50002018	4	ChEMBL_1747166 (CHEMBL4181676)	Inhibition of Plasmodium falciparum FP2
50002019	1	ChEMBL_1747200 (CHEMBL4181710)	Binding affinity to PDE2 (unknown origin) by SPR analysis
50002020	1	ChEMBL_1747210 (CHEMBL4181720)	Inhibition of recombinant Cav3.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	2	ChEMBL_1747211 (CHEMBL4181721)	Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	3	ChEMBL_1747209 (CHEMBL4181719)	Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	4	ChEMBL_1747212 (CHEMBL4181722)	Inhibition of recombinant Cav1.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by KCl addition by Fluo-4-AM dye-based FLIPR assay
50002020	5	ChEMBL_1747252 (CHEMBL4181762)	Inhibition of human CYP3A4 using testosterone as substrate preincubated for 30 mins
50002020	6	ChEMBL_1747254 (CHEMBL4181764)	Inhibition of Cav3.2 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	7	ChEMBL_1747266 (CHEMBL4181776)	Binding activity to inactivated state of recombinant human Cav3.3 expressed in CHO cells assessed as inhibition of tail current amplitude by whole cell patch clamp method
50002020	8	ChEMBL_1747324 (CHEMBL4181834)	Inhibition of human CYP3A4
50002020	9	ChEMBL_1747253 (CHEMBL4181763)	Inhibition of Cav3.1 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	10	ChEMBL_1747255 (CHEMBL4181765)	Inhibition of Cav3.3 in rat assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	11	ChEMBL_1747256 (CHEMBL4181766)	Inhibition of Cav3.1 in mouse assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	12	ChEMBL_1747272 (CHEMBL4181782)	Inhibition of human ERG by patch clamp method
50002020	13	ChEMBL_1747317 (CHEMBL4181827)	Inhibition of human CYP1A2
50002020	14	ChEMBL_1747320 (CHEMBL4181830)	Inhibition of human CYP2C8
50002020	15	ChEMBL_1747321 (CHEMBL4181831)	Inhibition of human CYP2C9
50002020	16	ChEMBL_1747322 (CHEMBL4181832)	Inhibition of human CYP2C19
50002020	17	ChEMBL_1747332 (CHEMBL4181842)	Inhibition of Cav3.2 (unknown origin)
50002020	18	ChEMBL_1747333 (CHEMBL4181843)	Inhibition of Cav3.3 (unknown origin)
50002020	19	ChEMBL_1747337 (CHEMBL4181847)	Inhibition of rat Cav2.2-alpha1beta/beta3 expressed in HEK293 cells assessed as decrease in calcium mobilization response to KCl after 1 hr by Fluo-4-AM dye-based FLIPR assay
50002020	20	ChEMBL_1747339 (CHEMBL4181849)	Inhibition of rat skeletal muscle Nav1.4 expressed in HEK293 cells by whole cell voltage clamp method
50002020	21	ChEMBL_1747341 (CHEMBL4181851)	Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage clamp method
50002020	22	ChEMBL_1747319 (CHEMBL4181829)	Inhibition of human CYP2B6
50002020	23	ChEMBL_1747323 (CHEMBL4181833)	Inhibition of human CYP2D6
50002020	24	ChEMBL_1747335 (CHEMBL4181845)	Inhibition of human ERG
50002020	25	ChEMBL_1747257 (CHEMBL4181767)	Inhibition of Cav3.2 in mouse assessed as decrease in calcium flux preincubated for 3 mins followed by CaCl2 addition by Fluo-4-AM dye-based FLIPR assay
50002020	26	ChEMBL_1747318 (CHEMBL4181828)	Inhibition of human CYP2A6
50002020	27	ChEMBL_1747331 (CHEMBL4181841)	Inhibition of Cav3.1 (unknown origin)
50002020	28	ChEMBL_1747334 (CHEMBL4181844)	Inhibition of Cav1.2 (unknown origin)
50002020	29	ChEMBL_1747340 (CHEMBL4181850)	Inhibition of rat brain Nav1.2 expressed in HEK293 cells by whole cell voltage clamp method
50002020	30	ChEMBL_1747338 (CHEMBL4181848)	Inhibition of human heart Nav1.5 expressed in HEK293 cells by whole cell voltage clamp method
50002021	1	ChEMBL_1747395 (CHEMBL4181905)	Inhibition of bovine liver DHFR using FH2 as substrate preincubated for 2 mins followed by substrate addition
50002023	1	ChEMBL_1747421 (CHEMBL4181931)	Antagonist activity at integrin alpha2b beta3 receptor in citrated human platelet-rich plasma assessed as inhibition of ADP-induced platelets aggregation preincubated for 15 mins followed by ADP addition measured every 10 secs for 8 mins by aggregometric analysis
50002023	2	ChEMBL_1747422 (CHEMBL4181932)	Binding affinity to recombinant full length human N-terminal GST-tagged Syk-KD (356 to 635 residues) cytoplasmic domain expressed in baculovirus infected Sf9 insect cells using poly EY 4:1 as substrate
50002024	1	ChEMBL_1747424 (CHEMBL4181934)	Inhibition of recombinant EGFR (unknown origin) T790M/L858R double mutant preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide substrate addition measured after 30 mins in presence of ATP by ELISA
50002024	2	ChEMBL_1747423 (CHEMBL4181933)	Inhibition of recombinant wild type EGFR (696 to C-terminal residues) (unknown origin) preincubated for 30 mins followed by poly (Glu-Tyr) biotinylated peptide substrate addition measured after 30 mins in presence of ATP by ELISA
50002025	1	ChEMBL_1747452 (CHEMBL4181962)	Inhibition of recombinant human CYP3A4 expressed in HEK293 cells using dibenzylfluorescein as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	2	ChEMBL_1747449 (CHEMBL4181959)	Inhibition of recombinant human CYP2D6 expressed in HEK293 cells using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	3	ChEMBL_1747467 (CHEMBL4181977)	Inhibition of recombinant human CYP1A1 expressed in HEK293 cells assessed as reduction in benzo(a)pyrene-induced toxicity by measuring B[a]P EC50 at 2 times IC50 by MTT assay (Rvb = 0.8 +/- 0.14 uM)
50002025	4	ChEMBL_1747447 (CHEMBL4181957)	Inhibition of recombinant human CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	5	ChEMBL_1747450 (CHEMBL4181960)	Inhibition of recombinant human CYP2C9 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	6	ChEMBL_1747441 (CHEMBL4181951)	Inhibition of human CYP2C9 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence assay
50002025	7	ChEMBL_1747463 (CHEMBL4181973)	Inhibition of human CYP2C8 expressed in yeast cells
50002025	8	ChEMBL_1747442 (CHEMBL4181952)	Inhibition of human CYP2C19 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence assay
50002025	9	ChEMBL_1747443 (CHEMBL4181953)	Inhibition of human CYP3A4 expressed in yeast microsomal membranes using dibenzylfluorescein as substrate measured after 10 mins by fluorescence assay
50002025	10	ChEMBL_1747448 (CHEMBL4181958)	Inhibition of recombinant human CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	11	ChEMBL_1747446 (CHEMBL4181956)	Inhibition of recombinant human CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	12	ChEMBL_1747437 (CHEMBL4181947)	Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assay
50002025	13	ChEMBL_1747438 (CHEMBL4181948)	Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assay
50002025	14	ChEMBL_1747439 (CHEMBL4181949)	Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence assay
50002025	15	ChEMBL_1747440 (CHEMBL4181950)	Inhibition of human CYP2D6 expressed in yeast microsomal membranes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate measured after 10 mins by fluorescence assay
50002025	16	ChEMBL_1747462 (CHEMBL4181972)	Inhibition of human CYP2B6 expressed in yeast cells
50002025	17	ChEMBL_1747458 (CHEMBL4181968)	Inhibition of human CYP1A1 expressed in yeast cells
50002025	18	ChEMBL_1747451 (CHEMBL4181961)	Inhibition of recombinant human CYP2C19 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by substrate addition measured for 60 mins by fluorescence assay
50002025	19	ChEMBL_1747469 (CHEMBL4181979)	Inhibition of recombinant human CYP1B1 expressed in HEK293 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 by MTT assay (Rvb = 65.01 +/- 7.01 uM)
50002025	20	ChEMBL_1747461 (CHEMBL4181971)	Inhibition of human CYP2A6 expressed in yeast cells
50002025	21	ChEMBL_1747460 (CHEMBL4181970)	Inhibition of human CYP1A2 expressed in yeast cells
50002025	22	ChEMBL_1747457 (CHEMBL4181967)	Competitive inhibition of human CYP1A1 using 7-ethoxyresorufin as substrate
50002025	23	ChEMBL_1747464 (CHEMBL4181974)	Inhibition of human CYP2E1 expressed in yeast cells
50002025	24	ChEMBL_1747459 (CHEMBL4181969)	Inhibition of human CYP1B1 expressed in yeast cells
50002025	25	ChEMBL_1747465 (CHEMBL4181975)	Inhibition of human CYP2J2 expressed in yeast cells
50002026	1	ChEMBL_1747494 (CHEMBL4182004)	Inhibition of SERT in rat brain synaptosomes assessed as reduction in [3H]-5-HT uptake measured after 15 mins by scintillation counting method
50002026	2	ChEMBL_1747506 (CHEMBL4182016)	Displacement of [3H]-paroxetine from rat cortical membranes measured after 60 mins
50002026	3	ChEMBL_1747495 (CHEMBL4182005)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50002026	4	ChEMBL_1747496 (CHEMBL4182006)	Displacement of [3H]-LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method
50002026	5	ChEMBL_1747504 (CHEMBL4182014)	Displacement of [3H]-paroxetine from rat cerebral cortex SERT
50002026	6	ChEMBL_1747505 (CHEMBL4182015)	Displacement of [3H]8-OH-DPAT from rat frontal cortex 5-HT1A receptor measured after 15 mins
50002026	7	ChEMBL_1747508 (CHEMBL4182018)	Binding affinity to SERT (unknown origin)
50002026	8	ChEMBL_1747503 (CHEMBL4182013)	Displacement of [3H]8-OH-DPAT from rat cerebral cortex 5-HT1A receptor
50002026	9	ChEMBL_1747507 (CHEMBL4182017)	Binding affinity to 5-HT1A receptor (unknown origin)
50002027	1	ChEMBL_1747513 (CHEMBL4182023)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50002027	2	ChEMBL_1747514 (CHEMBL4182024)	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50002028	1	ChEMBL_1747515 (CHEMBL4182025)	Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assay
50002028	2	ChEMBL_1747529 (CHEMBL4182039)	Displacement of [3H]-flumazenil from human GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	3	ChEMBL_1747517 (CHEMBL4182027)	Positive allosteric modulation of rat M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assay
50002028	4	ChEMBL_1747527 (CHEMBL4182037)	Displacement of [3H]-flumazenil from human GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	5	ChEMBL_1747530 (CHEMBL4182040)	Displacement of [3H]-flumazenil from rat GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	6	ChEMBL_1747532 (CHEMBL4182042)	Displacement of [3H]-flumazenil from rat GABA-A receptor alpha3beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	7	ChEMBL_1747534 (CHEMBL4182044)	Displacement of [3H]-flumazenil from rat GABA-A receptor alpha5beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	8	ChEMBL_1747533 (CHEMBL4182043)	Displacement of [3H]-flumazenil from human GABA-A receptor alpha5beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	9	ChEMBL_1747525 (CHEMBL4182035)	Positive allosteric modulation of M5 receptor (unknown origin)
50002028	10	ChEMBL_1747531 (CHEMBL4182041)	Displacement of [3H]-flumazenil from human GABA-A receptor alpha3beta3gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	11	ChEMBL_1747528 (CHEMBL4182038)	Displacement of [3H]-flumazenil from rat GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells by electrophysiology assay
50002028	12	ChEMBL_1747542 (CHEMBL4182052)	Positive allosteric modulation of M1 receptor Y179A/W400A mutant (unknown origin)
50002029	1	ChEMBL_1747546 (CHEMBL4182056)	Inhibition of recombinant human GST-tagged PDK1 expressed in baculovirus infected Sf9 cells using PDHA1 as substrate measured after 1 hr by ELISA
50002029	2	ChEMBL_1747548 (CHEMBL4182058)	Inhibition of recombinant human GST-tagged PDK2 expressed in baculovirus infected Sf9 cells using PDHA1 as substrate measured after 1 hr by ELISA
50002030	1	ChEMBL_1747592 (CHEMBL4182102)	Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay
50002030	2	ChEMBL_1747591 (CHEMBL4182101)	Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay
50002031	1	ChEMBL_1747642 (CHEMBL4182152)	Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in presence of ADP by spectrophotometric based LDH enzyme coupled assay
50002031	2	ChEMBL_1747643 (CHEMBL4182153)	Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in presence of ADP by spectrophotometric based LDH enzyme coupled assay
50002032	1	ChEMBL_1747656 (CHEMBL4182166)	Inhibition of Staphylococcus aureus subsp. aureus Rosenbach ATCC 43300 FabI using crotonyl-CoA as substrate in presence of NADPH/NADH after 10 mins by fluorescence assay
50002032	2	ChEMBL_1747678 (CHEMBL4182188)	Competitive inhibition of Staphylococcus aureus subsp. aureus Rosenbach ATCC 43300 FabI using crotonyl-CoA as substrate in presence of NADPH/NADH after 10 mins by fluorescence assay
50002033	1	ChEMBL_1747697 (CHEMBL4182207)	Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luciferase reporter gene assay
50002033	2	ChEMBL_1747698 (CHEMBL4182208)	Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luciferase reporter gene assay
50002034	1	ChEMBL_1747739 (CHEMBL4182249)	Inhibition of HIV1 3B gp41-induced cell-cell fusion between viral protein expressing human H9 cells and MT-2 target cells assessed as number of syncytia formation treated for 2 hrs measured after 6 hrs
50002034	2	ChEMBL_1747738 (CHEMBL4182248)	Inhibition of HIV gp41 6-helix bundle formation preincubated with C34 and N36 for 30 mins
50002035	1	ChEMBL_1747749 (CHEMBL4182259)	Binding affinity to His-tagged BRD2 bromodomain 2 (unknown origin) by SPR assay
50002035	2	ChEMBL_1747748 (CHEMBL4182258)	Binding affinity to His-tagged BRD2 bromodomain 1 (unknown origin) by SPR assay
50002035	3	ChEMBL_1747746 (CHEMBL4182256)	Inhibition of recombinant human BRD2 bromodomain 2 (342 to 460 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by TR-FRET assay
50002035	4	ChEMBL_1747752 (CHEMBL4182262)	Binding affinity to BRD2 bromodomain 2 (348 to 455 residues) (unknown origin) by ITC
50002035	5	ChEMBL_1747751 (CHEMBL4182261)	Binding affinity to BRD2 bromodomain 1 (74 to 194 residues) (unknown origin) by ITC
50002035	6	ChEMBL_1747745 (CHEMBL4182255)	Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by TR-FRET assay
50002035	7	ChEMBL_1747762 (CHEMBL4182272)	Inhibition of BRD2 in human HD-MB03 cells assessed as reduction in c-Myc protein expression after 72 hrs by Hoechst 33342 staining based immunofluorescence assay
50002036	1	ChEMBL_1747763 (CHEMBL4182273)	Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method
50002037	1	ChEMBL_1747806 (CHEMBL4182316)	Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method
50002039	1	ChEMBL_1747809 (CHEMBL4182319)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha level using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by ELISA
50002039	2	ChEMBL_1747810 (CHEMBL4182320)	Inhibition of human COX2 assessed as reduction in PGF2alpha level using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by ELISA
50002040	1	ChEMBL_1747820 (CHEMBL4182330)	Inhibition of recombinant human chymase pre-incubated for 10 mins before Suc-Ala-Ala-Pro-Phe-MCA substrate addition and measured after 10 mins by fluorescence assay
50002040	2	ChEMBL_1747824 (CHEMBL4182334)	Binding affinity to recombinant human chymase assessed as dissociation constant at 12.5 to 200 nM by SPR assay
50002040	3	ChEMBL_1747827 (CHEMBL4182337)	Binding affinity to recombinant human chymase assessed as dissociation constant at 6 to 1000 nM by SPR assay
50002042	1	ChEMBL_1747982 (CHEMBL4182492)	Inhibition of recombinant human MMP12 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorescence spectrometry
50002042	2	ChEMBL_1747983 (CHEMBL4182493)	Inhibition of recombinant human MMP13 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorescence spectrometry
50002043	1	ChEMBL_1747984 (CHEMBL4182494)	Inhibition of AchE in albino LACA mouse brain using acetylthiocholine iodide as substrate incubated for 10 mins measured for 2 mins by Ellman's method
50002044	1	ChEMBL_1747997 (CHEMBL4182507)	Inhibition of recombinant His6/SUMO-tagged human cN3B (1 to 300 residues) expressed in Escherichia coli BL21(DE3) RIL assessed as reduction in dephosphorylation of m7GMP substrate after 45 mins by HPLC method
50002044	2	ChEMBL_1748006 (CHEMBL4182516)	Inhibition of human DCPS using m7GMPF as substrate after 30 mins by nucleoside 5'-fluorophosphate probe based HTS assay
50002044	3	ChEMBL_1747996 (CHEMBL4182506)	Inhibition of recombinant His6/SUMO-tagged human cN3B (1 to 300 residues) expressed in Escherichia coli BL21(DE3) RIL assessed as reduction in dephosphorylation of m7GMP substrate after 45 mins by malachite green dye based assay
50002044	4	ChEMBL_1748007 (CHEMBL4182517)	Inhibition of eIF4E (unknown origin)
50002044	5	ChEMBL_1748005 (CHEMBL4182515)	Inhibition of fluorescein-labeled m7GDPC4H5 binding to mouse eIF4E (28 to 217 residues) by MST method
50002045	1	ChEMBL_1748015 (CHEMBL4182525)	Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based spectrophotometric assay
50002045	2	ChEMBL_1748014 (CHEMBL4182524)	Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based spectrophotometric assay
50002045	3	ChEMBL_1748019 (CHEMBL4182529)	Competitive inhibition of recombinant human MAO-B using varying level of benzylamine substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Lineweaver-Burk plot analysis
50002046	1	ChEMBL_1748082 (CHEMBL4182592)	Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed as reduction in cAMP production using cells exposed to edema factor for 30 mins before compound addition for 45 mins by immunoassay
50002046	2	ChEMBL_1748049 (CHEMBL4182559)	Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay
50002047	1	ChEMBL_1748084 (CHEMBL4182594)	Inhibition of human MAOA using (4S)-4, 5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by MAO-Glo assay
50002047	2	ChEMBL_1748083 (CHEMBL4182593)	Inhibition of human recombinant LSD1 incubated for 30 mins using H3K4me2 peptide substrate by fluorescence assay
50002047	3	ChEMBL_1748085 (CHEMBL4182595)	Inhibition of human MAOB using (4S)-4, 5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by MAO-Glo assay
50002048	1	ChEMBL_1748101 (CHEMBL4182611)	Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfluidic mobility shift assay
50002048	2	ChEMBL_1748102 (CHEMBL4182612)	Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfluidic mobility shift assay
50002048	3	ChEMBL_1748098 (CHEMBL4182608)	Inhibition of BTK (unknown origin) using FITC-labeled Srctide substrate and ATP by microfluidic mobility shift assay
50002048	4	ChEMBL_1748097 (CHEMBL4182607)	Inhibition of SYK (unknown origin) using FITC-labeled Blk/Lyntide substrate and ATP by microfluidic mobility shift assay
50002049	1	ChEMBL_1748129 (CHEMBL4182639)	Inhibition of Influenza A virus A/Memphis/1/71(H3N2) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by fluorescence assay
50002049	2	ChEMBL_1748130 (CHEMBL4182640)	Inhibition of Influenza A virus A/Duck/313/4/78(H5N3) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by fluorescence assay
50002049	3	ChEMBL_1748128 (CHEMBL4182638)	Inhibition of Influenza A virus A/PR/8/34(H1N1) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by fluorescence assay
50002050	1	ChEMBL_1748154 (CHEMBL4182664)	Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE substrate peptide and [gamma-33P-ATP] incubated for 40 mins by scintillation counting method
50002050	2	ChEMBL_1748158 (CHEMBL4182668)	Inhibition of human GSK-3beta in mouse 3T3 fibroblasts stably expressing four-repeat tau protein assessed as reduction in tau S396 phosphorylation after 4 hrs post dose by Western blot
50002050	3	ChEMBL_1748159 (CHEMBL4182669)	Inhibition of GSK-3beta (unknown origin)
50002051	1	ChEMBL_1748314 (CHEMBL4182824)	Displacement of Bax-derived peptide from Bcl-2 (unknown origin) by fluorescence polarization assay
50002051	2	ChEMBL_1748315 (CHEMBL4182825)	Displacement of Bad-derived peptide from Bcl-XL (unknown origin) by fluorescence polarization assay
50002052	1	ChEMBL_1748330 (CHEMBL4182840)	Inhibition of MRP1 (unknown origin) expressed in HEK293FlpIN cells assessed as reduction in calcein-AM efflux incubated for 30 mins by flow cytometric analysis
50002054	1	ChEMBL_1748343 (CHEMBL4182853)	Inverse agonist activity at Gal4-tagged human RORgammat ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002054	2	ChEMBL_1748344 (CHEMBL4182854)	Transactivation of PXR in human HepG2 cells by receptor transactivation assay
50002054	3	ChEMBL_1748349 (CHEMBL4182859)	Agonist activity at GAL4-tagged human LXRalpha assessed as receptor activation expressed in African green monkey CV1 cells by luciferase reporter gene assay
50002054	4	ChEMBL_1748351 (CHEMBL4182861)	Agonist activity at GAL4-tagged human LXRbeta assessed as receptor activation expressed in African green monkey CV1 cells by luciferase reporter gene assay
50002054	5	ChEMBL_1748342 (CHEMBL4182852)	Agonist activity at Gal4-tagged human RORgammat ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002054	6	ChEMBL_1748341 (CHEMBL4182851)	Agonist activity at Gal4-tagged human RORbeta ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002054	7	ChEMBL_1748338 (CHEMBL4182848)	Inverse agonist activity at Gal4-tagged human RORalpha ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002054	8	ChEMBL_1748340 (CHEMBL4182850)	Agonist activity at Gal4-tagged human RORalpha ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002054	9	ChEMBL_1748339 (CHEMBL4182849)	Inverse agonist activity at Gal4-tagged human RORbeta ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase reporter gene assay
50002055	1	ChEMBL_1748391 (CHEMBL4182901)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21(DE3) using varying levels of 4-MU-GlcNAc as substrate measured after 30 mins by fluorescence assay
50002055	2	ChEMBL_1748392 (CHEMBL4182902)	Inhibition of Ostrinia furnacalis Hex1 expressed in Pichia pastoris using varying levels of 4-MU-GlcNAc as substrate measured after 30 mins by fluorescence assay
50002056	1	ChEMBL_1748418 (CHEMBL4182928)	Inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy
50002056	2	ChEMBL_1748419 (CHEMBL4182929)	Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot
50002058	1	ChEMBL_1748450 (CHEMBL4182960)	Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins in presence of [14C]-IPP by liquid scintillation counting method
50002058	2	ChEMBL_1748453 (CHEMBL4182963)	Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins in presence of [14C]-IPP by liquid scintillation counting method
50002059	1	ChEMBL_1748462 (CHEMBL4182972)	Modulatory activity against gamma-secretase in human SK-N-BE(2) cells assessed as reduction in amyloid beta 42 production after 6 hrs by sandwich ELISA
50002060	1	ChEMBL_1748472 (CHEMBL4182982)	Displacement of [3H]-DTG from sigma 2 receptor in rat liver membranes after 120 mins by scintillation counting analysis
50002060	2	ChEMBL_1748474 (CHEMBL4182984)	Displacement of [3H]-(+)-Pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis
50002061	1	ChEMBL_1748479 (CHEMBL4182989)	Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL-17 ROR response element driven-bright-glo luciferase reporter gene assay
50002061	2	ChEMBL_1748478 (CHEMBL4182988)	Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay
50002062	1	ChEMBL_1748505 (CHEMBL4183015)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate pretreated for 15 mins followed by substrate addition measured after 8 mins
50002063	1	ChEMBL_1748539 (CHEMBL4183049)	Inhibition of Escherichia coli DNA gyrase A2B2 using relaxed pNO1 as substrate
50002063	2	ChEMBL_1748556 (CHEMBL4183066)	Inhibition of CYP3A4-mediated midazolam metabolism in human liver microsomes
50002063	3	ChEMBL_1748557 (CHEMBL4183067)	Inhibition of CYP3A4-mediated testosterone metabolism in human liver microsomes
50002063	4	ChEMBL_1748558 (CHEMBL4183068)	Inhibition of human ERG transfected in CHO cells by patch clamp method
50002064	1	ChEMBL_1748618 (CHEMBL4183128)	Inhibition of human BACE2 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
50002064	2	ChEMBL_1748625 (CHEMBL4183135)	Displacement of [3H]-PF-6475886 from recombinant human full length Myc-DDK-tagged BACE2 expressed in HEK293 cell membranes after 30 mins by parallel scintillation proximity assay
50002064	3	ChEMBL_1748662 (CHEMBL4183172)	Inhibition of human BACE2
50002064	4	ChEMBL_1748606 (CHEMBL4183116)	Inhibition of BACE1 in human H4 cells transfected with wild type APP assessed as reduction in soluble portion of APPbeta level in cells incubated for overnight by ELISA
50002064	5	ChEMBL_1748605 (CHEMBL4183115)	Inhibition of Cathepsin D (unknown origin) by fluorescence polarization assay
50002064	6	ChEMBL_1748603 (CHEMBL4183113)	Inhibition of human BACE1 using biotin-GLTNIKTEEISEISYEVEFR-C[Oregon green]KK-OH as substrate after 3 hrs by fluorescence polarization assay
50002064	7	ChEMBL_1748610 (CHEMBL4183120)	Inhibition of human ERG expressed in CHOK1 cells for 5 mins at -80 mV holding potential by patch clamp method
50002064	8	ChEMBL_1748624 (CHEMBL4183134)	Displacement of [3H]-PF-6475886 from recombinant human full length FL-tagged BACE1 expressed in HEK293 cell membranes after 30 mins by parallel scintillation proximity assay
50002064	9	ChEMBL_1748661 (CHEMBL4183171)	Inhibition of human BACE1
50002064	10	ChEMBL_1748663 (CHEMBL4183173)	Inhibition of Cathepsin D (unknown origin)
50002064	11	ChEMBL_1748664 (CHEMBL4183174)	Inhibition of human Cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-PheArg-Leu-Lys(Dnp)-D-Arg-NH2 as substrate after 45 mins
50002065	1	ChEMBL_1748714 (CHEMBL4183224)	Inhibition of pig liver microsomal HMG-CoA reductase by colorimetric method
50002066	1	ChEMBL_1748806 (CHEMBL4183316)	Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate preincubated with substrate for 10 mins followed by protein addition measured after 5 mins by spectrophotometric method
50002066	2	ChEMBL_1748808 (CHEMBL4183318)	Inhibition of Bacillus megaterium tyrosinase diphenolase activity using L-DOPA as substrate by spectrophotometric method
50002067	1	ChEMBL_1748923 (CHEMBL4183433)	Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR method
50002067	2	ChEMBL_1748926 (CHEMBL4183436)	Inhibition of biotinylated VEGF-A binding to human NRP1 expressed in human DU145 cells after 2 hrs
50002067	3	ChEMBL_1748925 (CHEMBL4183435)	Inhibition of biotinylated VEGF-A binding to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells after 2 hrs
50002067	4	ChEMBL_1748947 (CHEMBL4183457)	Binding affinity to recombinant human NRP1 extracellular domain by SPR method
50002068	1	ChEMBL_1748948 (CHEMBL4183458)	Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-Amplex Red-coupled assay
50002068	2	ChEMBL_1748950 (CHEMBL4183460)	Non-competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-Amplex Red-coupled assay
50002068	3	ChEMBL_1748951 (CHEMBL4183461)	Mixed-type inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-Amplex Red-coupled assay
50002070	1	ChEMBL_1748955 (CHEMBL4183465)	Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay
50002070	2	ChEMBL_1748962 (CHEMBL4183472)	Inhibition of caspase-1 in human THP1 cells assessed as decrease in LPS-induced IL-1beta secretion after overnight incubation by sandwich immunoassay
50002070	3	ChEMBL_1748968 (CHEMBL4183478)	Inhibition of human recombinant caspase-3 using Ac-DEVD-AMC as substrate at Km after 20 mins by fluorescence assay
50002070	4	ChEMBL_1748956 (CHEMBL4183466)	Inhibition of human recombinant caspase-1 using AC-WEHD-AMC as substrate at 20 times Km after 20 mins by fluorescence assay
50002070	5	ChEMBL_1748970 (CHEMBL4183480)	Inhibition of human recombinant caspase-6 using Ac-VEID-AMC as substrate at Km after 20 mins by fluorescence assay
50002070	6	ChEMBL_1748969 (CHEMBL4183479)	Inhibition of human recombinant caspase-5 using AC-WEHD-AMC as substrate at Km after 20 mins by fluorescence assay
50002070	7	ChEMBL_1748972 (CHEMBL4183482)	Inhibition of human recombinant caspase-8 using Ac-IETD-AMC as substrate at Km after 20 mins by fluorescence assay
50002070	8	ChEMBL_1748973 (CHEMBL4183483)	Inhibition of caspase-1 in human monocyte-derived macrophages assessed as decrease in LPS-induced IL-1beta secretion after 24 hrs by sandwich immunoassay
50002070	9	ChEMBL_1748971 (CHEMBL4183481)	Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate at Km after 20 mins by fluorescence assay
50002071	1	ChEMBL_1749031 (CHEMBL4183541)	Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002071	2	ChEMBL_1749034 (CHEMBL4183544)	Displacement of [3H]NMS from muscarinic receptor in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002071	3	ChEMBL_1749030 (CHEMBL4183540)	Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002071	4	ChEMBL_1749032 (CHEMBL4183542)	Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002071	5	ChEMBL_1749029 (CHEMBL4183539)	Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002071	6	ChEMBL_1749033 (CHEMBL4183543)	Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method
50002073	1	ChEMBL_1749045 (CHEMBL4183555)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	2	ChEMBL_1749046 (CHEMBL4183556)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	3	ChEMBL_1749047 (CHEMBL4183557)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	4	ChEMBL_1749048 (CHEMBL4183558)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	5	ChEMBL_1749042 (CHEMBL4183552)	Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma by luciferase reporter gene assay
50002073	6	ChEMBL_1749044 (CHEMBL4183554)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	7	ChEMBL_1749043 (CHEMBL4183553)	Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma by luciferase reporter gene assay
50002073	8	ChEMBL_1749041 (CHEMBL4183551)	Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	9	ChEMBL_1749040 (CHEMBL4183550)	Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002073	10	ChEMBL_1749049 (CHEMBL4183559)	Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 6a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay
50002074	1	ChEMBL_1749136 (CHEMBL4183646)	Agonist activity at human MC1R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation measured after 3 mins
50002074	2	ChEMBL_1749143 (CHEMBL4183653)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting method
50002074	3	ChEMBL_1749138 (CHEMBL4183648)	Agonist activity at human MC3R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50002074	4	ChEMBL_1749137 (CHEMBL4183647)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting method
50002074	5	ChEMBL_1749141 (CHEMBL4183651)	Agonist activity at human MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50002074	6	ChEMBL_1749135 (CHEMBL4183645)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting method
50002074	7	ChEMBL_1749140 (CHEMBL4183650)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting method
50002074	8	ChEMBL_1749145 (CHEMBL4183655)	Agonist activity at human MC5R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 3 mins
50002075	1	ChEMBL_1749155 (CHEMBL4183665)	Induction of ALK degradation in human KARPAS299 cells after 16 hrs by immunoblot method
50002075	2	ChEMBL_1749154 (CHEMBL4183664)	Induction of ALK degradation in human NCI-H3122 cells after 16 hrs by immunoblot method
50002075	3	ChEMBL_1749182 (CHEMBL4183692)	Induction of ALK degradation in human Kelly cells after 16 hrs by immunoblot method
50002076	1	ChEMBL_1749230 (CHEMBL4183740)	Binding affinity to Listeria monocytogenes 6-His-tagged PrfA expressed in Escherichia coli BL21 (DE3) pLysS assessed as inhibition of protein binding with biotinylated hpt-DNA by SPR method
50002077	1	ChEMBL_1749240 (CHEMBL4183750)	Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay
50002077	2	ChEMBL_1749241 (CHEMBL4183751)	Inhibition of full length recombinant human PDE4B1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay
50002078	1	ChEMBL_1749251 (CHEMBL4183761)	Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,Lys,Tyr) 6:2:5:1 hydrobromide as substrate in presence of [gamma-33P]ATP
50002078	2	ChEMBL_1749254 (CHEMBL4183764)	Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Lys,Tyr) 6:2:5:1 hydrobromide as substrate in presence of [gamma-33P]ATP
50002078	3	ChEMBL_1749255 (CHEMBL4183765)	Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu,Lys,Tyr) 6:2:5:1 hydrobromide as substrate in presence of [gamma-33P]ATP
50002079	1	ChEMBL_1749378 (CHEMBL4183888)	Inhibition of human NPP1 using pNP-TMP as substrate preincubated for 3 mins followed by substrate addition measured after 15 mins
50002080	1	ChEMBL_1749582 (CHEMBL4184342)	Inhibition of recombinant human full length His-tagged CaMK2delta expressed in baculovirus using Biotin labelled STK1 as substrate after 1 hr in presence of ATP by fluorescence assay
50002080	2	ChEMBL_1749670 (CHEMBL4184430)	Inhibition of CYP2C19 (unknown origin)
50002080	3	ChEMBL_1749583 (CHEMBL4184343)	Inhibition of human ERG
50002080	4	ChEMBL_1749667 (CHEMBL4184427)	Inhibition of CaMK2alpha/beta in neonatal rat cortical neurons assessed as phospholamban phosphorylation after 4 hrs by Hoechst 33342 fluorescence-based assay
50002080	5	ChEMBL_1749668 (CHEMBL4184428)	Inhibition of CYP1A2 (unknown origin)
50002080	6	ChEMBL_1749669 (CHEMBL4184429)	Inhibition of CYP2C9 (unknown origin)
50002080	7	ChEMBL_1749672 (CHEMBL4184432)	Inhibition of CYP3A4 (unknown origin)
50002080	8	ChEMBL_1749666 (CHEMBL4184426)	Inhibition of CaMK2gamma/delta in neonatal rat ventricular myocytes assessed as phospholamban phosphorylation after 4 hrs by Hoechst 33342 fluorescence based assay
50002080	9	ChEMBL_1749671 (CHEMBL4184431)	Inhibition of CYP2D6 (unknown origin)
50002081	1	ChEMBL_1749691 (CHEMBL4184451)	Transactivation of GAL4-fused human PPARgamma LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50002081	2	ChEMBL_1749690 (CHEMBL4184450)	Transactivation of GAL4-fused human PPARalpha LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50002081	4	ChEMBL_1749689 (CHEMBL4184449)	Transactivation of GAL4-fused human PPARdelta LBD expressed in African green monkey CV1 cells after 24 hrs by luciferase reporter gene assay
50002082	1	ChEMBL_1749842 (CHEMBL4184602)	Inhibition of FITC-labeled Bak-BH3 peptide binding to MCL1 (172 to 371 residues) (unknown origin) by fluorescence polarization competition assay
50002082	2	ChEMBL_1749844 (CHEMBL4184604)	Inhibition of succinimidyl Oregon Green-labeled Bak-BH3 peptide binding to GST-tagged Bcl-XL (unknown origin) expressed in human Jurkat cells after 1 to 2 hrs by fluorescence polarization competition assay
50002082	3	ChEMBL_1749843 (CHEMBL4184603)	Inhibition of FITC-labeled Bak-BH3 peptide binding to Bcl-XL (2 to 212 residues) (unknown origin) by fluorescence polarization assay
50002083	1	ChEMBL_1749848 (CHEMBL4184608)	Displacement of [125I][Sar1,Ile8]-angiotensin-2 from human recombinant AT2 receptor expressed in HEK293 cell membranes after 240 mins by scintillation counting
50002084	1	ChEMBL_1749864 (CHEMBL4184624)	Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
50002084	2	ChEMBL_1749865 (CHEMBL4184625)	Displacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
50002084	3	ChEMBL_1749866 (CHEMBL4184626)	Displacement of [32P]S1P from recombinant human S1PR3 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
50002084	4	ChEMBL_1749867 (CHEMBL4184627)	Displacement of [32P]S1P from recombinant human S1PR4 expressed in cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
50002084	5	ChEMBL_1749868 (CHEMBL4184628)	Displacement of [32P]S1P from recombinant human S1PR5 expressed in cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
50002086	1	ChEMBL_1749912 (CHEMBL4184672)	Agonist activity at human S1P3 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
50002086	2	ChEMBL_1749911 (CHEMBL4184671)	Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
50002086	3	ChEMBL_1749910 (CHEMBL4184670)	Agonist activity at human S1P5 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
50002087	1	ChEMBL_1749929 (CHEMBL4184689)	Inhibition of human ERG expressed in HEK293 cells at holding potential of -80 mV by whole cell patch clamp assay
50002087	2	ChEMBL_1749928 (CHEMBL4184688)	Inhibition of human Nav1.5 channel expressed in HEK293 cells at holding potential of -70 mV by whole cell patch clamp assay
50002090	1	ChEMBL_1749936 (CHEMBL4184696)	Inhibition of wild-type serine racemase (unknown origin) assessed as residual activity by measuring D-serine level using Dsd1 as substrate and PLP as co-factor pretreated for 30 mins followed by substrate and co-factor addition measured after 30 mins
50002090	2	ChEMBL_1749937 (CHEMBL4184697)	Inhibition of serine racemase mutant (unknown origin)
50002092	1	ChEMBL_1749983 (CHEMBL4184743)	Inhibition of human full length C-terminal flag/His-tagged NAMPT (1 to 491 residues) expressed in HEK293-6E cells by TR-FRET assay
50002094	1	ChEMBL_1749985 (CHEMBL4184745)	Inhibition of stress-activated full length recombinant human N-terminal GST-tagged ASK1 expressed in baculovirus expression system using MKK6 as substrate pretreated for 10 mins followed by substrate addition by Alphascreen assay
50002094	2	ChEMBL_1750001 (CHEMBL4184761)	Inhibition of ASK1 (unknown origin)
50002095	1	ChEMBL_1750002 (CHEMBL4184762)	Agonist activity at human OTR expressed in CHO cells assessed as increase in calcium flux after 60 to 120 mins by fluo-4 dye based FLIPR assay
50002095	2	ChEMBL_1750004 (CHEMBL4184764)	Agonist activity at vasopressin 1a receptor (unknown origin)
50002096	1	ChEMBL_1750040 (CHEMBL4184800)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as reduction in D2-HG level after 30 mins by resazurin-based fluorescence assay
50002096	2	ChEMBL_1750041 (CHEMBL4184801)	Inhibition of IDH1 R132C mutant (unknown origin) expressed in HEK293T cells assessed as reduction in D2-HG level after 30 mins by resazurin-based fluorescence assay
50002097	1	ChEMBL_1750118 (CHEMBL4184878)	Inhibition of full length recombinant C-terminal His8-tagged human NAMPT using 15N-CONH2Nicotinamide as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins by mass spectrometric analysis
50002098	1	ChEMBL_1750152 (CHEMBL4184912)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins with substrate followed by NADPH addition measured after 15 mins by LC/MS/MS analysis
50002098	2	ChEMBL_1750151 (CHEMBL4184911)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 10 mins with substrate followed by NADPH addition measured after 15 mins by LC/MS/MS analysis
50002098	3	ChEMBL_1750141 (CHEMBL4184901)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins with substrate followed by NADPH addition measured after 15 mins by LC/MS/MS analysis
50002098	4	ChEMBL_1750150 (CHEMBL4184910)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated for 10 mins with substrate followed by NADPH addition measured after 15 mins by LC/MS/MS analysis
50002098	5	ChEMBL_1750153 (CHEMBL4184913)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins with substrate followed by NADPH addition measured after 15 mins by LC/MS/MS analysis
50002099	1	ChEMBL_1750171 (CHEMBL4184931)	Antagonist activity at CMV-fused PPARgamma-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of rosiglitazone-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	2	ChEMBL_1750163 (CHEMBL4184923)	Antagonist activity at VP16-fused VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of ligand-induced GAL4-fused SRC1 coactivator recruitment by two-hybrid luciferase reporter gene assay
50002099	3	ChEMBL_1750162 (CHEMBL4184922)	Transactivation of CMV-fused PPARdelta-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells by luciferase reporter gene assay
50002099	4	ChEMBL_1750161 (CHEMBL4184921)	Antagonist activity at CMV-fused VDR (unknown origin) expressed in HEK293T cells assessed as reduction in 24-hydroxylase promoter mediated transcriptional activity by luciferase reporter gene assay
50002099	5	ChEMBL_1750170 (CHEMBL4184930)	Antagonist activity at CMV-fused PPARalpha-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of GW7647-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	6	ChEMBL_1750176 (CHEMBL4184936)	Antagonist activity at CMV-fused ERalpha-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of estradiol-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	7	ChEMBL_1750177 (CHEMBL4184937)	Antagonist activity at CMV-fused ERbeta-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of estradiol-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	8	ChEMBL_1750175 (CHEMBL4184935)	Antagonist activity at CMV-fused TRbeta-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of T3-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	9	ChEMBL_1750174 (CHEMBL4184934)	Antagonist activity at CMV-fused TRalpha-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of T3-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	10	ChEMBL_1750173 (CHEMBL4184933)	Antagonist activity at CMV-fused RXRalpha-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of bexarotene-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002099	11	ChEMBL_1750172 (CHEMBL4184932)	Antagonist activity at CMV-fused PPARdelta-LBD-GAL4-DBD (unknown origin) expressed in HEK293T cells assessed as inhibition of GW0742-induced receptor transactivation after 16 hrs by bright-Glo luciferase reporter gene assay
50002100	1	ChEMBL_1750187 (CHEMBL4184947)	Inhibition of N-terminal GST-tagged human HPK1 (1 to 346 residues) after 30 mins in presence of ATP by indirect ELISA
50002100	2	ChEMBL_1750186 (CHEMBL4184946)	Inhibition of His-tagged PD-L1 binding to PD-1-Ig (unknown origin) preincubated with PD-L1 for 15 mins followed by PD-1-Ig addition measured after 15 mins by HTRF binding assay
50002100	3	ChEMBL_1750185 (CHEMBL4184945)	Inhibition of N-terminal GST-tagged human SYK expressed in baculovirus infected Sf9 insect cells using Biotin-Aha-Aha-KEDPDYEWPSAKK as substrate after 90 mins by flash plate assay
50002100	4	ChEMBL_1750184 (CHEMBL4184944)	Inhibition of GCN2 (unknown origin) using GFP--fused eIF2alpha as substrate preincubated for 20 mins followed by substrate and ATP addition measured after 90 mins by TR-FRET assay
50002100	5	ChEMBL_1750179 (CHEMBL4184939)	Binding affinity to arginase 1 (unknown origin)
50002100	6	ChEMBL_1750180 (CHEMBL4184940)	Inhibition of arginase 2 (unknown origin)
50002101	1	ChEMBL_1750196 (CHEMBL4184956)	Inhibition of mPGES1 in mouse 3T3L1 cells assessed as reduction in PGE2 production after 1 hr by ELISA
50002102	1	ChEMBL_1750199 (CHEMBL4184959)	Inhibition of mouse AMCase using 4-methylumbelliferyl beta-D-N,N' diacetylchitobioside hydrate as substrate measured after 60 mins by fluorometric method
50002102	2	ChEMBL_1750198 (CHEMBL4184958)	Inhibition of mouse CHIT1 using 4-methylumbelliferyl beta-D-N,N',N'' triacetylchitotrioside as substrate measured after 60 mins by fluorometric method
50002103	1	ChEMBL_1750212 (CHEMBL4184972)	Inhibition of alpha-glucosidase (unknown origin) using 4-Nitrophenyl-alpha-D-glucopyranoside as substrate incubated foe 5 mins followed by substrate addition measured after 15 mins
50002104	1	ChEMBL_1750213 (CHEMBL4184973)	Inhibition of alpha-glucosidase (unknown origin) using p-nitro-phenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins with substrate followed by enzyme addition measure after 15 mins by spectrophotometric method
50002106	1	ChEMBL_1750222 (CHEMBL4184982)	Inhibition of SERCA1a (unknown origin) ATPase activity
50002109	1	ChEMBL_1750223 (CHEMBL4184983)	Modulation activity at CRY2/PER2 in human U2OS cells harboring per2-dLuc assessed as activation of per2 activity measured every 100 mins for 5 days by luciferase reporter gene assay
50002110	1	ChEMBL_1750249 (CHEMBL4185009)	Inhibition of 20s immunoproteasome beta5 chymotrypsin-like activity in human spleen using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 10 mins by fluorescence assay
50002110	2	ChEMBL_1750245 (CHEMBL4185005)	Inhibition of 20s immunoproteasome beta2 trypsin-like activity in human spleen using Boc-Leu-Arg-Arg-AMC as substrate after 10 mins by fluorescence assay
50002110	3	ChEMBL_1750243 (CHEMBL4185003)	Inhibition of 20s constitutive proteasome beta2 trypsin-like activity in human erythrocytes using Boc-Leu-Arg-Arg-AMC as substrate after 10 mins by fluorescence assay
50002110	4	ChEMBL_1750241 (CHEMBL4185001)	Inhibition of 20s constitutive proteasome beta1 caspase-like activity in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate after 10 mins by fluorescence assay
50002110	5	ChEMBL_1750247 (CHEMBL4185007)	Inhibition of 20s constitutive proteasome beta5 chymotrypsin-like activity in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 10 mins by fluorescence assay
50002110	6	ChEMBL_1750251 (CHEMBL4185011)	Inhibition of 20s immunoproteasome beta1 caspase-like activity in human spleen using Ac-Pro-Ala-Leu-AMC as substrate after 10 mins by fluorescence assay
50002111	1	ChEMBL_1750313 (CHEMBL4185073)	Inhibition of Bacillus licheniformis subtilisin A by green-fluorescent BODIPY FL dye based fluorescence assay
50002112	1	ChEMBL_1750332 (CHEMBL4185092)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	2	ChEMBL_1750334 (CHEMBL4185094)	Inhibition of VEGFR3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	3	ChEMBL_1750336 (CHEMBL4185096)	Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	4	ChEMBL_1750333 (CHEMBL4185093)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	5	ChEMBL_1750335 (CHEMBL4185095)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	6	ChEMBL_1750338 (CHEMBL4185098)	Inhibition of c-KIT (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	7	ChEMBL_1750339 (CHEMBL4185099)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	8	ChEMBL_1750340 (CHEMBL4185100)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002112	9	ChEMBL_1750337 (CHEMBL4185097)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins in presence of ATP by HTRF assay
50002113	1	ChEMBL_1750375 (CHEMBL4185135)	Binding affinity to MDM2 (unknown origin) after 30 mins by fluorescence polarization assay
50002113	2	ChEMBL_1750376 (CHEMBL4185136)	Binding affinity to MDM2 (unknown origin) in assessed as reduction in MDM2 binding to Fl-p53-TAD after 30 mins by fluorescence polarization competition assay
50002114	1	ChEMBL_1750381 (CHEMBL4185141)	Binding affinity to HIV1 integrase by surface plasma resonance method
50002114	2	ChEMBL_1750382 (CHEMBL4185142)	Inhibition of CCR5 in human TZM-bl cells infected with HIV1 Bal R5 assessed as antiviral activity by measuring reduction in viral infection pre-incubated with cells followed by viral infection measured after 3 days by luciferase reporter gene assay
50002115	2	ChEMBL_1750397 (CHEMBL4185157)	Inhibition of full length human APE1 expressed in Escherichia coli BL21/DE3 assessed as inhibition of incision of depurinated supercoiled pUC18 plasmid DNA after 15 mins
50002115	3	ChEMBL_1750393 (CHEMBL4185153)	Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay
50002115	4	ChEMBL_1750392 (CHEMBL4185152)	Inhibition of recombinant human APE1 using double-stranded DNA as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals for 30 mins by fluorescence-based assay
50002115	5	ChEMBL_1750387 (CHEMBL4185147)	Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia coli BL21 (Rosetta) using fluorescein-dabcyl-containing oligonucleotide as substrate measured over 5 mins by high-throughput fluorescence assay
50002115	6	ChEMBL_1750384 (CHEMBL4185144)	Inhibition of nuclease activity of APE1 in human glioblastoma cells assessed as reduction in AP site DNA cleavage
50002115	7	ChEMBL_1750401 (CHEMBL4185161)	Binding affinity to APE1 (unknown origin) by SPR assay
50002115	8	ChEMBL_1750400 (CHEMBL4185160)	Inhibition of His-tagged human APE1 expressed in Escherichia coli M15 assessed as reduction in cleavage of 26 mer substrate to 13 mer products pre-incubated for 30 mins before substrate addition for 15 mins using 5' end [32P] AP site containing 26 mer oligonucleotide by polyacrylamide gel electrophoresis
50002115	9	ChEMBL_1750399 (CHEMBL4185159)	Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3
50002115	10	ChEMBL_1750398 (CHEMBL4185158)	Inhibition of redox activity of full length N-terminal hexa-His SUMO-fused human APE1 using HEX-labeled THF oligonucleotide as substrate preincubated for 30 to 120 mins followed by substrate addition measured after 15 mins by fluorescence assay
50002115	11	ChEMBL_1750396 (CHEMBL4185156)	Inhibition of APE1 in human HeLa cells
50002115	12	ChEMBL_1750395 (CHEMBL4185155)	Inhibition of recombinant human APE1 using 5'-F-GCCCCCXGGGGACGTACGATATCCCGCTCC-3' as substrate preincubated for 10 mins followed by substrate addition measured at 5 mins intervals for 30 mins by fluorescence-based assay
50002115	13	ChEMBL_1750390 (CHEMBL4185150)	Inhibition of recombinant His-6 tagged human APE1 expressed in Escherichia coli C41(DE3) using 5'-(F)-CGACTXTTGAATTGACACGCCATGTCGATCAATTCAATAGTCG-(D)-3' as substrate measured every 12 secs by FRET assay
50002115	14	ChEMBL_1750389 (CHEMBL4185149)	Inhibition of human APE1 using a 5'-TAMRA labelled THF abasic site double-stranded oligodeoxynucleotide as substrate in presence of Mg2+ by fluorescence polarization displacement assay
50002115	15	ChEMBL_1750388 (CHEMBL4185148)	Inhibition of recombinant human APE1 using a 5'-FAM/3'-Dabsyl labelled double-stranded DNA as substrate after 30 mins by fluorescence-based assay
50002115	1	ChEMBL_1750386 (CHEMBL4185146)	Inhibition of human APE1 measured every 5 mins for 60 mins by FAM fluorophore based fluorescence assay
50002115	16	ChEMBL_1750385 (CHEMBL4185145)	Inhibition of APE1 in human HeLa cells assessed as reduction in AP site cleavage 5'-[gamma-32P]CTCGCAAGUGGGTACCGA-3' as substrate after 1 hr
50002115	17	ChEMBL_1750383 (CHEMBL4185143)	Inhibition of human APE1 assessed as reduction in abasic sites DNA cleavage using 6-FAM/TAMRA labelled 17-Tphi as substrate by fluorescence-based assay
50002115	18	ChEMBL_1750394 (CHEMBL4185154)	Inhibition of APE1 (unknown origin)
50002116	1	ChEMBL_1750439 (CHEMBL4185199)	Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed by substrate addition measured after 10 min by fluorescence assay
50002116	2	ChEMBL_1750444 (CHEMBL4185204)	Inhibition of recombinant Plasmodium falciparum HDAC1 using HDAC substrate-3 after 30 mins by fluorescence assay
50002116	3	ChEMBL_1750469 (CHEMBL4185229)	Inhibition of N-terminal His6-tagged recombinant Leishmania infantum SIR2RP1 expressed in Escherichia coli in presence of NAD+ by fluorimetric method
50002116	4	ChEMBL_1750450 (CHEMBL4185210)	Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys(R) as substrate by fluorimetric assay
50002116	5	ChEMBL_1750451 (CHEMBL4185211)	Inhibition of human HDAC8 using Fluor de Lys(R) as substrate by fluorimetric assay
50002116	6	ChEMBL_1750437 (CHEMBL4185197)	Inhibition of human SIRT1
50002116	7	ChEMBL_1750470 (CHEMBL4185230)	Inhibition of human SIRT1 in presence of NAD+ by fluorimetric method
50002116	8	ChEMBL_1750452 (CHEMBL4185212)	Inhibition of human HDAC1 using Z(Ac)Lys-AMC as substrate by fluorimetric assay
50002116	9	ChEMBL_1750453 (CHEMBL4185213)	Inhibition of human HDAC6 using Z(Ac)Lys-AMC as substrate by fluorimetric assay
50002117	1	ChEMBL_1750496 (CHEMBL4185256)	Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes preincubated for 1 hr measured after 1hr by scintillation counting method
50002117	2	ChEMBL_1750497 (CHEMBL4185257)	Displacement of [3H]-DPDPE from delta opioid receptor in Wistar rat brain membranes preincubated for 3 hrs measured after 1 hr by scintillation counting method
50002118	1	ChEMBL_1750696 (CHEMBL4185456)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50002118	2	ChEMBL_1750707 (CHEMBL4185467)	Binding affinity to human partial length WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50002118	3	ChEMBL_1750650 (CHEMBL4185410)	Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 1 (44 to 168 residues) expressed in Rosetta2 DE3 cells after 30 mins by Flourescence polarization assay
50002118	4	ChEMBL_1750645 (CHEMBL4185405)	Inhibition of FAM-labeled ZBA248 binding to recombinant human N-terminal His6-tagged BRD4 bromodomain 2 (333 to 460 residues) expressed in Rosetta2 DE3 cells after 30 mins by Flourescence polarization assay
50002118	5	ChEMBL_1750678 (CHEMBL4185438)	Binding affinity to human partial length BRD3 bromodomain 1/2 (P24 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50002118	6	ChEMBL_1750699 (CHEMBL4185459)	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50002118	7	ChEMBL_1750708 (CHEMBL4185468)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50002118	8	ChEMBL_1750683 (CHEMBL4185443)	Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50002118	9	ChEMBL_1750674 (CHEMBL4185434)	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (349 to 460 residues) expressed in bacterial expression system by BROMOscan assay
50002118	10	ChEMBL_1750676 (CHEMBL4185436)	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50002118	11	ChEMBL_1750677 (CHEMBL4185437)	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50002118	12	ChEMBL_1750680 (CHEMBL4185440)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50002118	13	ChEMBL_1750682 (CHEMBL4185442)	Binding affinity to human partial length BRDT bromodomain 1 isoform b (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50002118	14	ChEMBL_1750684 (CHEMBL4185444)	Binding affinity to human partial length BRDT bromodomain 1/2 isoform b (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50002118	15	ChEMBL_1750686 (CHEMBL4185446)	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50002118	16	ChEMBL_1750687 (CHEMBL4185447)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay
50002118	17	ChEMBL_1750688 (CHEMBL4185448)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50002118	18	ChEMBL_1750693 (CHEMBL4185453)	Binding affinity to human partial length BRD8 bromodomain 1 (S700 to F854 residues) expressed in mammalian expression system by BROMOscan assay
50002118	19	ChEMBL_1750694 (CHEMBL4185454)	Binding affinity to human partial length BRD8 bromodomain 2 (D1095 to F1235 residues) expressed in mammalian expression system by BROMOscan assay
50002118	20	ChEMBL_1750697 (CHEMBL4185457)	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50002118	21	ChEMBL_1750698 (CHEMBL4185458)	Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay
50002118	22	ChEMBL_1750700 (CHEMBL4185460)	Binding affinity to human partial length PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50002118	23	ChEMBL_1750702 (CHEMBL4185462)	Binding affinity to human partial length PCAF (G715 to D831 residues) expressed in bacterial expression system by BROMOscan assay
50002118	24	ChEMBL_1750703 (CHEMBL4185463)	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50002118	25	ChEMBL_1750705 (CHEMBL4185465)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50002118	26	ChEMBL_1750706 (CHEMBL4185466)	Binding affinity to human partial length TRIM24 expressed in bacterial expression system by BROMOscan assay
50002118	27	ChEMBL_1750648 (CHEMBL4185408)	Inhibition of human PLK4 (M1 to S273 residues) expressed in mammalian expression system
50002118	28	ChEMBL_1750673 (CHEMBL4185433)	Binding affinity to human partial length BRD2 bromodomain 1 long isoform (72 to 205 residues) expressed in bacterial expression system by BROMOscan assay
50002118	29	ChEMBL_1750690 (CHEMBL4185450)	Binding affinity to human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50002118	30	ChEMBL_1750692 (CHEMBL4185452)	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50002118	31	ChEMBL_1750695 (CHEMBL4185455)	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50002118	32	ChEMBL_1750701 (CHEMBL4185461)	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50002118	33	ChEMBL_1750704 (CHEMBL4185464)	Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50002118	34	ChEMBL_1750681 (CHEMBL4185441)	Binding affinity to human partial length BRD4 bromodomain 1/2 long isoform (N44 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50002118	35	ChEMBL_1750675 (CHEMBL4185435)	Binding affinity to human partial length BRD2 bromodomain 1/2 isoform 1 (K71 to D455 residues) by BROMOscan assay
50002118	36	ChEMBL_1750679 (CHEMBL4185439)	Binding affinity to recombinant human BRD4 bromodomain 1 (44 to 168 residues) by BROMOscan assay
50002118	37	ChEMBL_1750685 (CHEMBL4185445)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50002118	38	ChEMBL_1750689 (CHEMBL4185449)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50002118	39	ChEMBL_1750691 (CHEMBL4185451)	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50002119	1	ChEMBL_1750748 (CHEMBL4185508)	Inhibition of BRAF (unknown origin) using MEK1 K97R mutant as substrate preincubated for 60 to 120 mins followed by substrate addition measured after 2 hrs by TR-FRET assay
50002119	2	ChEMBL_1750749 (CHEMBL4185509)	Inhibition of recombinant human O-GlcNAcase using pNP-GlcNAc as substrate measured for 5 mins by UV-VIS spectrophotometer
50002119	3	ChEMBL_1750746 (CHEMBL4185506)	Inhibition of human RIPK2 expressed in Sf9 cells after 1 hr by ADP-Glo assay
50002119	4	ChEMBL_1750743 (CHEMBL4185503)	Inhibition of full length His6-tagged recombinant p300 (unknown origin) expressed in baculovirus infected Sf21 cells using human histone as substrate preincubated for 10 mins followed by [3H]acetyl-CoA addition measured after 10 mins by liquid scintillation counting method
50002119	5	ChEMBL_1750744 (CHEMBL4185504)	Inhibition of p300 catalytic domain (unknown origin) using histone H3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002119	6	ChEMBL_1750751 (CHEMBL4185511)	Inhibition of O-GlcNAcase in rat PC12 cells assessed as induction of OGlcNAcylation after 24 hrs by Western blot method
50002119	7	ChEMBL_1750753 (CHEMBL4185513)	Inhibition of petit-LUBAC (unknown origin)-mediated ubiquitylation expressed in Escherichia coli BL21 after 2 hrs in presence of E1, UbcH5c, E3 and ubiquitin
50002119	8	ChEMBL_1750756 (CHEMBL4185516)	Inhibition of SAE (unknown origin) assessed as decrease in formation of E2-UBL thioester reaction product
50002119	9	ChEMBL_1750757 (CHEMBL4185517)	Inhibition of ATG7 (unknown origin) assessed as decrease in formation of E2-UBL thioester reaction product
50002119	10	ChEMBL_1750760 (CHEMBL4185520)	Inhibition of FTase isolated from human Burkitt's lymphoma cells assessed as decrease in transfer of [3H]farnesyl from [3H]farnesyl PPi to H-Ras-CVLS
50002119	11	ChEMBL_1750761 (CHEMBL4185521)	Inhibition of human recombinant FTase
50002119	12	ChEMBL_1750765 (CHEMBL4185525)	Inhibition of rat brain FTase assessed as decrease in transfer of [3H]farnesyl from [3H]farnesyl PPi to H-Ras-CVLS after 30 mins by liquid scintillation counting method
50002119	13	ChEMBL_1750766 (CHEMBL4185526)	Inhibition of rat brain GGTase1 assessed as decrease in transfer of [3H]H]geranylgeranyl from [3H]geranylgeranyl PPi to H-Ras-CVLL after 30 mins by liquid scintillation counting method
50002119	14	ChEMBL_1750770 (CHEMBL4185530)	Inhibition of GGTase1 isolated from human Burkitt's lymphoma cells assessed as decrease in transfer of [3H]H]geranylgeranyl from [3H]geranylgeranyl PPi to H-Ras-CVLL after 30 mins by liquid scintillation counting method
50002119	15	ChEMBL_1750771 (CHEMBL4185531)	Inhibition of GGTase1 (unknown origin) expressed in mouse NIH-3T3 cells transfected with k-Ras4B assessed as decrease in geranylgeranylation of k-Ras4B after 24 hrs by chemoluminescence assay
50002119	16	ChEMBL_1750772 (CHEMBL4185532)	Inhibition of FTase (unknown origin) expressed in mouse NIH-3T3 cells cells transfected with human H-Ras assessed as decrease in farnesylation of H-Ras after 24 hrs by chemoluminescence assay
50002119	17	ChEMBL_1750774 (CHEMBL4185534)	Inhibition of recombinant Aspergillus fumigatus NMT (Gln86 to Leu492 residues) expressed in Escherichia coli BL21(DE3) pLysS cells using [3H]-myristoyl coenzyme A/CAP5.5 as substrate after 20 mins by scintillation proximity assay
50002119	18	ChEMBL_1750747 (CHEMBL4185507)	Inhibition of JNK (unknown origin)
50002119	19	ChEMBL_1750768 (CHEMBL4185528)	Inhibition of GGTase1 (unknown origin)
50002119	20	ChEMBL_1750763 (CHEMBL4185523)	Inhibition of FTase isolated from Kirsten virus-transformed human osteosarcoma cells using K-rasB peptide as substrate in presence of [3H]farnesyl PPi by scintillation proximity assay
50002119	21	ChEMBL_1750769 (CHEMBL4185529)	Inhibition of FTase (unknown origin) using H-ras as substrate
50002119	22	ChEMBL_1750745 (CHEMBL4185505)	Competitive inhibition of VMA intein chitin binding domain-fused p300 HAT domain M1652G mutant (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cell using histone H4-15 peptide as substrate preincubated for 10 mins followed by 5 to 120 uM acetyl-CoA/[12C]-acetyl-CoA and [14C]-acetyl-CoA addition measured after 10 mins
50002119	23	ChEMBL_1750758 (CHEMBL4185518)	Inhibition of UBA6 (unknown origin) assessed as decrease in formation of E2-UBL thioester reaction product
50002119	24	ChEMBL_1750764 (CHEMBL4185524)	Inhibition of GGTase1 isolated from Kirsten virus-transformed human osteosarcoma cells using biotin-YRASNRSCAIL peptide as substrate after 120 mins in presence of [ 1-[ 3 H](n)]geranylgeranylpyrophosphate by scintillation proximity assay
50002119	25	ChEMBL_1750767 (CHEMBL4185527)	Inhibition of FTase (unknown origin)
50002119	26	ChEMBL_1750773 (CHEMBL4185533)	Inhibition of GGTase1 isolated from human Burkitt's lymphoma cells assessed as decrease in transfer of [3H]H]geranylgeranyl from [3H]geranylgeranyl PPi to H-Ras-CVLL
50002119	27	ChEMBL_1750754 (CHEMBL4185514)	Inhibition of NEDD8 (unknown origin) assessed as decrease in formation of E2-UBL thioester reaction product
50002120	1	ChEMBL_1750871 (CHEMBL4185631)	Displacement of [3H]-CP5594 from human recombinant CB1 receptor expressed in Chem1 cells after 90 mins by scintillation counting method
50002121	1	ChEMBL_1750874 (CHEMBL4185634)	Inhibition of recombinant full length His-tagged human Aurora A expressed in baculovirus expression system by Z'LYTE assay
50002121	2	ChEMBL_1750875 (CHEMBL4185635)	Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay
50002121	3	ChEMBL_1750877 (CHEMBL4185637)	Inhibition of Aurora A auto-phosphorylation in human HCT116 cells after 4 hrs by Western blot analysis
50002121	4	ChEMBL_1750878 (CHEMBL4185638)	Inhibition of Aurora B in human HCT116 cells assessed as reduction in histone H3 phosphorylation at S10 residues after 4 hrs by Western blot analysis
50002121	5	ChEMBL_1750889 (CHEMBL4185649)	Inhibition of recombinant GST-tagged human LRRK2 (970 to 2527 residues) catalytic domain expressed in baculovirus expression system by ADAPTA assay
50002121	6	ChEMBL_1750888 (CHEMBL4185648)	Inhibition of GST-tagged human PLK4 (1 to 836 residues) by Lanthascreen binding assay
50002121	7	ChEMBL_1750887 (CHEMBL4185647)	Inhibition of BRD4 (unknown origin) by AlphaScreen assay
50002121	8	ChEMBL_1750876 (CHEMBL4185636)	Inhibition of recombinant full length GST-tagged human Aurora C expressed in baculovirus expression system by Z'LYTE assay
50002122	1	ChEMBL_1751374 (CHEMBL4186134)	Inhibition of MMP2 (unknown origin)
50002122	2	ChEMBL_1751359 (CHEMBL4186119)	Inhibition of TACE in human PBMC assessed as reduction in LPS-induced TNFalpha production incubated overnight by HTRF assay
50002122	3	ChEMBL_1751371 (CHEMBL4186131)	Inhibition of ADAM9 (unknown origin)
50002122	4	ChEMBL_1751370 (CHEMBL4186130)	Inhibition of recombinant human TACE catalytic domain using Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH2 as substrate after 2 hrs by fluorescence assay
50002122	5	ChEMBL_1751378 (CHEMBL4186138)	Inhibition of MMP9 (unknown origin)
50002122	6	ChEMBL_1751369 (CHEMBL4186129)	Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for 24 hrs by HTRF assay
50002122	7	ChEMBL_1751372 (CHEMBL4186132)	Inhibition of ADAM10 (unknown origin)
50002122	8	ChEMBL_1751373 (CHEMBL4186133)	Inhibition of recombinant human MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 10 mins by fluorescence assay
50002122	9	ChEMBL_1751375 (CHEMBL4186135)	Inhibition of MMP3 (unknown origin)
50002122	10	ChEMBL_1751377 (CHEMBL4186137)	Inhibition of MMP8 (unknown origin)
50002122	11	ChEMBL_1751389 (CHEMBL4186149)	Inhibition of human ERG expressed in CHO-K1 cells assessed as reduction in tail current amplitude by patch clamp assay
50002122	12	ChEMBL_1751379 (CHEMBL4186139)	Inhibition of MMP12 (unknown origin)
50002122	13	ChEMBL_1751380 (CHEMBL4186140)	Inhibition of MMP13 (unknown origin)
50002122	14	ChEMBL_1751376 (CHEMBL4186136)	Inhibition of MMP7 (unknown origin)
50002122	15	ChEMBL_1751381 (CHEMBL4186141)	Inhibition of MMP14 (unknown origin)
50002123	1	ChEMBL_1751398 (CHEMBL4186158)	Inhibition of recombinant human PP2A catalytic subunit L309 deletion mutant using DIFMUP as substrate pretreated for 10 mins followed by substrate addition measured every 15 secs for 30 mins by fluorescence assay
50002123	2	ChEMBL_1751397 (CHEMBL4186157)	Inhibition of recombinant PP1alpha catalytic subunit (unknown origin) using DIFMUP as substrate pretreated for 10 mins followed by substrate addition measured every 15 secs for 30 mins by fluorescence assay
50002124	1	ChEMBL_1751401 (CHEMBL4186161)	Non-competitive inhibition of Bacillus anthracis lethal factor protease using substrate containing CyPet and YPet linked by RRKKVYPYPMEGTIA sequence preincubated for 30 mins followed by substrate addition measured every 2 mins for 3 hrs by FRET assay
50002124	2	ChEMBL_1751400 (CHEMBL4186160)	Inhibition of Bacillus anthracis lethal factor protease using substrate containing CyPet and YPet linked by RRKKVYPYPMEGTIA sequence preincubated for 30 mins followed by substrate addition measured every 2 mins for 3 hrs by FRET assay
50002125	1	ChEMBL_1751402 (CHEMBL4186162)	Inhibition of fluorescence-labelled cNPF1 probe binding to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells pretreated for 30 mins followed by fluorescence-labelled cNPF1 probe addition measured after 1 hr by fluorescence polarization assay
50002125	2	ChEMBL_1751405 (CHEMBL4186165)	Binding affinity to GST-fused Eps15 EH2 domain (unknown origin) expressed in Escherichia coli BL21 cells under high salt condition by fluorescence polarization assay
50002125	3	ChEMBL_1751403 (CHEMBL4186163)	Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells measured after 1 hr in presence of 15 mM NaCl by fluorescence polarization assay
50002125	4	ChEMBL_1751408 (CHEMBL4186168)	Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells in presence of 150 mM NaCl by isothermal calorimetric titration method
50002125	5	ChEMBL_1751404 (CHEMBL4186164)	Binding affinity to GST-fused EHD1 EH domain (unknown origin) expressed in Escherichia coli BL21 cells measured after 1 hr in presence of 150 mM NaCl by fluorescence polarization assay
50002126	1	ChEMBL_1751409 (CHEMBL4186169)	Stabilization of human SMN protein expressed in HEK293 cells expressing SMN2 promoter after 24 hrs by luciferase reporter gene assay
50002127	1	ChEMBL_1751423 (CHEMBL4186183)	Binding affinity to GP2b/3a in rat blood assessed as conformational change by measuring soluble GP2b/3a levels after 12 hrs by UV-spectrophotometric analysis
50002128	1	ChEMBL_1751447 (CHEMBL4186207)	Displacement of TNP-ATP from recombinant Salmonella typhimurium GST-tagged DHp-catalytic domain PhoQ (332 to 487 residues) expressed in Escherichia coli XA90 aafter 10 mins by fluorescence assay
50002128	2	ChEMBL_1751445 (CHEMBL4186205)	Inhibition of recombinant Salmonella typhimurium N-terminal His6-SUMO-tagged DHp-catalytic domain PhoQ (257 to 487 residues) autophosphorylation expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by [gamma-32P]-ATP addition after 30 mins by phosphotransferase dot blot assay
50002128	3	ChEMBL_1751458 (CHEMBL4186218)	Competitive inhibition of Caulobacter vibrioides full length wild type cell cycle histidine kinase CckA deltaTM Escherichia coli BL21-AI in presence of varying levels of ATP measured every 60 secs for 2 hrs by Lineweaver-Burk plot analysis
50002128	4	ChEMBL_1751463 (CHEMBL4186223)	Inhibition of Streptococcus pneumoniae VicK preincubated for 30 mins followed by [gamma-33P]ATP addition after 30 mins by SDS-PAGE method
50002128	5	ChEMBL_1751464 (CHEMBL4186224)	Inhibition of Escherichia coli CheA preincubated for 30 mins followed by [gamma-33P]ATP addition after 30 mins by SDS-PAGE method
50002128	6	ChEMBL_1751467 (CHEMBL4186227)	Inhibition of Escherichia coli DHp-catalytic domain PhoR autophosphorylation expressed in Escherichia coli RIL in presence of gamma-32P-ATP by SDS-PAGE analysis
50002128	7	ChEMBL_1751444 (CHEMBL4186204)	Inhibition of Staphylococcus aureus DHp-catalytic domain PhoR autophosphorylation expressed in Escherichia coli RIL in presence of gamma-32P-ATP by SDS-PAGE analysis
50002128	8	ChEMBL_1751469 (CHEMBL4186229)	Inhibition of recombinant Staphylococcus epidermidis ATCC 35984 N-terminal GB1-tagged YycG expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by ATP addition after 30 mins by kinase-glo assay
50002128	9	ChEMBL_1751472 (CHEMBL4186232)	Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escherichia coli in presence of varying levels of ATP measured every 60 secs for 2 hrs by PK/LDH enzyme coupled assay
50002128	10	ChEMBL_1751446 (CHEMBL4186206)	Binding affinity to recombinant Salmonella typhimurium 15N-labeled PhoQ catalytic domain (332 to 487 residues) expressed in Escherichia coli XA90 assessed as chemical shift perturbation by HSQC NMR analysis
50002129	1	ChEMBL_1751524 (CHEMBL4186284)	Inhibition of wild type recombinant N-terminal GST-tagged human EGFR catalytic domain expressed in Sf9 insect cells using poly-Glu-Tyr (4:1) as substrate after 2 hrs in presence of [gamma-33P]-ATP by filter-binding method
50002129	2	ChEMBL_1751525 (CHEMBL4186285)	Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-Tyr (4:1) as substrate after 2 hrs in presence of [gamma-33P]-ATP by filter-binding method
50002129	3	ChEMBL_1751520 (CHEMBL4186280)	Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system using TK-substrate after 25 mins by HTRF KinEASE-TK assay
50002129	4	ChEMBL_1751521 (CHEMBL4186281)	Inhibition of N-terminal GST-fused human EGFR cytoplasmic domain T790M/C797S mutant expressed in baculovirus expression system using TK-substrate after 20 mins by HTRF KinEASE-TK assay
50002129	5	ChEMBL_1751522 (CHEMBL4186282)	Inhibition of recombinant human EGFR L858R/T790M/C797S mutant using TK-substrate after 10 mins by HTRF KinEASE-TK assay
50002129	6	ChEMBL_1751517 (CHEMBL4186277)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50002130	1	ChEMBL_1751542 (CHEMBL4186302)	Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as substrate by fluorescence based assay
50002131	1	ChEMBL_1751548 (CHEMBL4186308)	Binding affinity to human DM2 (17 to 125 residues)
50002132	1	ChEMBL_1751561 (CHEMBL4186321)	Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as cell toxicity
50002132	2	ChEMBL_1751555 (CHEMBL4186315)	Inhibition of recombinant human CYP2D6 expressed in yeast microsomal membranes by fluorescence assay
50002132	3	ChEMBL_1751560 (CHEMBL4186320)	Inhibition of human CYP2D6 expressed in HEK293 cells by fluorescence assay
50002132	4	ChEMBL_1751565 (CHEMBL4186325)	Inhibition of human CYP1A1 transfected in HEK293 cells assessed as cell toxicity
50002132	5	ChEMBL_1751551 (CHEMBL4186311)	Inhibition of recombinant human CYP1A1 expressed in yeast microsomal membranes by fluorescence assay
50002132	6	ChEMBL_1751553 (CHEMBL4186313)	Inhibition of recombinant human CYP1A2 expressed in yeast microsomal membranes by fluorescence assay
50002132	7	ChEMBL_1751556 (CHEMBL4186316)	Inhibition of human CYP1A expressed in HEK293 cells by fluorescence assay
50002132	8	ChEMBL_1751552 (CHEMBL4186312)	Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay
50002132	9	ChEMBL_1751554 (CHEMBL4186314)	Inhibition of recombinant human CYP3A4 expressed in yeast microsomal membranes by fluorescence assay
50002132	10	ChEMBL_1751557 (CHEMBL4186317)	Inhibition of human CYP1B1 expressed in HEK293 cells by fluorescence assay
50002132	11	ChEMBL_1751558 (CHEMBL4186318)	Inhibition of human CYP1A2 expressed in HEK293 cells by fluorescence assay
50002132	12	ChEMBL_1751559 (CHEMBL4186319)	Inhibition of human CYP3A4 expressed in HEK293 cells by fluorescence assay
50002132	13	ChEMBL_1751562 (CHEMBL4186322)	Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 6.6 uM (Rvb = 6.70+/- 0.7 uM)
50002132	14	ChEMBL_1751563 (CHEMBL4186323)	Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin EC50 at 20 uM (Rvb = 6.70+/- 0.7 uM)
50002132	15	ChEMBL_1751564 (CHEMBL4186324)	Inhibition of human CYP1A1 transfected in HEK293 cells assessed as protection against CYP1A1 mediated B[a]P toxicity by measuring B[a]P EC50 at 20 uM by MTT assay (Rvb =1.2+/- 0.3 uM)
50002133	1	ChEMBL_1751569 (CHEMBL4186329)	Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mins by scintillation spectrometry
50002133	2	ChEMBL_1751568 (CHEMBL4186328)	Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mins by scintillation spectrometry
50002133	3	ChEMBL_1751566 (CHEMBL4186326)	Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry
50002133	4	ChEMBL_1751570 (CHEMBL4186330)	Displacement of [3H]Dofetilide from human ERG expressed in HEK293 cells after 60 mins by scintillation spectrometry
50002133	5	ChEMBL_1751574 (CHEMBL4186334)	Inhibition of [3H]dopamine uptake at VMAT2 in rat synaptic vesicles after 8 mins by liquid scintillation spectrometry
50002134	1	ChEMBL_1751618 (CHEMBL4186378)	Inhibition of CYP19A1 (unknown origin) preincubated with NADPH followed by DBF substrate addition after 30 mins by fluorescence based assay
50002135	1	ChEMBL_1751621 (CHEMBL4186381)	Inhibition of human recombinant caspase1 expressed in Escherichia coli using AC-WEHD-AMC as substrate after 20 mins by fluorescence assay
50002135	2	ChEMBL_1751624 (CHEMBL4186384)	Inhibition of caspase1 in human THP1 cells assessed as LPS/ATP-induced IL-1beta release preincubated for 24 hrs in presence of LPS measured after overnight incubation by HTRF assay
50002136	1	ChEMBL_1751631 (CHEMBL4186391)	Inhibition of P300/CBP in human MV4-11 cells assessed as downregulation of MYC expression
50002136	2	ChEMBL_1751645 (CHEMBL4186405)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50002136	3	ChEMBL_1751656 (CHEMBL4186416)	Binding affinity to human partial length BRD4 bromodomain 1/2 long isoform (N44 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50002136	4	ChEMBL_1751669 (CHEMBL4186429)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50002136	5	ChEMBL_1751626 (CHEMBL4186386)	Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay
50002136	6	ChEMBL_1751625 (CHEMBL4186385)	Inhibition of recombinant His-tagged CBP (unknown origin) by TR-FRET assay
50002136	7	ChEMBL_1751651 (CHEMBL4186411)	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50002136	8	ChEMBL_1751660 (CHEMBL4186420)	Binding affinity to human partial length BRD8 bromodomain 1 (S700 to F854 residues) expressed in mammalian expression system by BROMOscan assay
50002136	9	ChEMBL_1751670 (CHEMBL4186430)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay
50002136	10	ChEMBL_1751679 (CHEMBL4186439)	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50002136	11	ChEMBL_1751646 (CHEMBL4186406)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50002136	12	ChEMBL_1751647 (CHEMBL4186407)	Binding affinity to human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50002136	13	ChEMBL_1751650 (CHEMBL4186410)	Binding affinity to human partial length BRD2 bromodomain 1/2 isoform 1 (K71 to D455 residues) by BROMOscan assay
50002136	14	ChEMBL_1751652 (CHEMBL4186412)	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50002136	15	ChEMBL_1751653 (CHEMBL4186413)	Binding affinity to human partial length BRD3 bromodomain 1/2 (P24 to P416 residues) by BROMOscan assay
50002136	16	ChEMBL_1751655 (CHEMBL4186415)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50002136	17	ChEMBL_1751658 (CHEMBL4186418)	Binding affinity to full length BRD4 short isoform (unknown origin) by BROMOscan assay
50002136	18	ChEMBL_1751661 (CHEMBL4186421)	Binding affinity to human partial length BRD8 bromodomain 2 (D1095 to F1235 residues) expressed in mammalian expression system by BROMOscan assay
50002136	19	ChEMBL_1751662 (CHEMBL4186422)	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50002136	20	ChEMBL_1751663 (CHEMBL4186423)	Binding affinity to human partial length BRDT bromodomain 1 isoform b (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50002136	21	ChEMBL_1751665 (CHEMBL4186425)	Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50002136	22	ChEMBL_1751667 (CHEMBL4186427)	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50002136	23	ChEMBL_1751671 (CHEMBL4186431)	Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay
50002136	24	ChEMBL_1751672 (CHEMBL4186432)	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50002136	25	ChEMBL_1751673 (CHEMBL4186433)	Binding affinity to human partial length PBRM1 bromodomain 1 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50002136	26	ChEMBL_1751676 (CHEMBL4186436)	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50002136	27	ChEMBL_1751677 (CHEMBL4186437)	Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50002136	28	ChEMBL_1751680 (CHEMBL4186440)	Binding affinity to human partial length TRIM24 (G862 to E980 residues) expressed in bacterial expression system by BROMOscan assay
50002136	29	ChEMBL_1751681 (CHEMBL4186441)	Binding affinity to human partial length TRIM24 (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50002136	30	ChEMBL_1751682 (CHEMBL4186442)	Binding affinity to human partial length TRIM33 (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50002136	31	ChEMBL_1751648 (CHEMBL4186408)	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50002136	32	ChEMBL_1751657 (CHEMBL4186417)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50002136	33	ChEMBL_1751674 (CHEMBL4186434)	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50002136	34	ChEMBL_1751683 (CHEMBL4186443)	Binding affinity to human partial length WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50002136	35	ChEMBL_1751666 (CHEMBL4186426)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50002136	36	ChEMBL_1751644 (CHEMBL4186404)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50002136	37	ChEMBL_1751649 (CHEMBL4186409)	Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50002136	38	ChEMBL_1751654 (CHEMBL4186414)	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50002136	39	ChEMBL_1751659 (CHEMBL4186419)	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50002136	40	ChEMBL_1751664 (CHEMBL4186424)	Binding affinity to human partial length BRDT bromodomain 1/2 isoform b (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50002136	41	ChEMBL_1751668 (CHEMBL4186428)	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50002136	42	ChEMBL_1751675 (CHEMBL4186435)	Binding affinity to human partial length PCAF (G715 to D831 residues) expressed in bacterial expression system by BROMOscan assay
50002136	43	ChEMBL_1751678 (CHEMBL4186438)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50002138	1	ChEMBL_1751735 (CHEMBL4186495)	Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA
50002138	2	ChEMBL_1751734 (CHEMBL4186494)	Inhibition of TNF-alpha (unknown origin) binding to TNFR1 by ELISA
50002138	3	ChEMBL_1751739 (CHEMBL4186499)	Inhibition of mouse recombinant TNF-alpha binding to antibody preincubated for 30 mins followed by antibody addition measured after 2 hrs by ELISA
50002138	4	ChEMBL_1751738 (CHEMBL4186498)	Inhibition of LPS-induced TNF-alpha production in human MNC suspension after 20 hrs by radioimmunoassay
50002139	1	ChEMBL_1751742 (CHEMBL4186502)	Inhibition of TNAP (unknown origin) in whole blood using pNPP as substrate
50002139	2	ChEMBL_1751741 (CHEMBL4186501)	Inhibition of TNAP (unknown origin) using PPi as substrate
50002139	3	ChEMBL_1751751 (CHEMBL4186511)	Inhibition of IAP (unknown origin)
50002139	4	ChEMBL_1751752 (CHEMBL4186512)	Inhibition of PLAP (unknown origin)
50002140	1	ChEMBL_1751756 (CHEMBL4186516)	Displacement of Fluormone-tagged ES2 from human recombinant ERalpha after 2 hrs by fluorescence polarization assay
50002141	1	ChEMBL_1751764 (CHEMBL4186524)	Agonist activity at recombinant human EP2 receptor expressed in CHO cells assessed as increase in intracellular cAMP level by EIA
50002141	2	ChEMBL_1751766 (CHEMBL4186526)	Agonist activity at recombinant human EP4 receptor expressed in CHO cells assessed as increase in intracellular cAMP level by EIA
50002141	3	ChEMBL_1751765 (CHEMBL4186525)	Agonist activity at recombinant human EP3 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time interval by fura-2-AM dye based fluorescence assay
50002141	4	ChEMBL_1751788 (CHEMBL4186548)	Agonist activity at recombinant human EP1 receptor expressed in CHO cells assessed as increase in intracellular calcium level measured at 3 secs time interval by fura-2-AM dye based fluorescence assay
50002142	1	ChEMBL_1751803 (CHEMBL4186563)	Inhibition of c-Met (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002142	2	ChEMBL_1751807 (CHEMBL4186567)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002142	3	ChEMBL_1751806 (CHEMBL4186566)	Inhibition of c-Kit (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002142	4	ChEMBL_1751804 (CHEMBL4186564)	Inhibition of FLT3 (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002142	5	ChEMBL_1751805 (CHEMBL4186565)	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002143	1	ChEMBL_1751827 (CHEMBL4186587)	Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra assay
50002144	1	ChEMBL_1752022 (CHEMBL4186782)	Displacement of [3H]CP,55-940 from recombinant human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by microbeta scintillation counting method
50002144	2	ChEMBL_1752021 (CHEMBL4186781)	Displacement of [3H]CP,55-940 from recombinant human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by microbeta scintillation counting method
50002144	3	ChEMBL_1752025 (CHEMBL4186785)	Antagonist activity at human CB1 receptor expressed in CHO cell membranes assessed as reduction in GTPgammaS binding after 30 mins by microbeta counting method
50002145	1	ChEMBL_1752053 (CHEMBL4186813)	Inhibition of CYP19A1 (unknown origin)
50002145	2	ChEMBL_1752052 (CHEMBL4186812)	Inhibition of CYP17A1 (unknown origin)
50002146	1	ChEMBL_1752087 (CHEMBL4186847)	Inhibition of MLL1 binding to N-terminal His-tagged WRD5 23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells by fluorescence polarization assay
50002146	2	ChEMBL_1752090 (CHEMBL4186850)	Displacement of FITC-MBM1 from menin (unknown origin) measured after 1 hr by fluorescence polarization assay
50002146	3	ChEMBL_1752091 (CHEMBL4186851)	Binding affinity to menin (unknown origin) by isothermal titration calorimetry
50002146	4	ChEMBL_1752092 (CHEMBL4186852)	Displacement of FITC-MBM1 from full length human menin measured after 1 hr by fluorescence polarization assay
50002146	5	ChEMBL_1752093 (CHEMBL4186853)	Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by fluorescence polarization assay
50002146	6	ChEMBL_1752089 (CHEMBL4186849)	Displacement of N-terminal FITC-labeled GSARAEVHLRKS from WDR5 (1 to 334 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells by fluorescence polarization assay
50002149	1	ChEMBL_1752102 (CHEMBL4186862)	Agonist activity at human P2Y2 receptor expressed in 1321N1 cells assessed as [3H]-inositol phosphate accumulation measured after 90 mins by anion exchange chromatographic method
50002149	2	ChEMBL_1752094 (CHEMBL4186854)	Antagonist activity at P2Y1 receptor (unknown origin)
50002149	3	ChEMBL_1752096 (CHEMBL4186856)	Agonist activity at P2Y2 receptor (unknown origin) assessed as reduction in inositol phosphate accumulation
50002149	4	ChEMBL_1752097 (CHEMBL4186857)	Agonist activity at P2Y2 receptor (unknown origin)
50002149	5	ChEMBL_1752098 (CHEMBL4186858)	Agonist activity at P2Y2 receptor in NG108-15 cells (unknown origin)
50002149	6	ChEMBL_1752099 (CHEMBL4186859)	Agonist activity at P2Y2 receptor in human CF/T43 cells
50002149	7	ChEMBL_1752100 (CHEMBL4186860)	Agonist activity at P2Y2 receptor in BEA cells (unknown origin)
50002149	8	ChEMBL_1752101 (CHEMBL4186861)	Agonist activity at human N-terminal HA-tagged P2Y2 receptor expressed in 1321N1 cells
50002149	9	ChEMBL_1752103 (CHEMBL4186863)	Agonist activity at P2Y2 receptor (unknown origin) expressed in human 1321N1 cells
50002149	10	ChEMBL_1752095 (CHEMBL4186855)	Antagonist activity at P2Y6 receptor (unknown origin)
50002151	1	ChEMBL_1752109 (CHEMBL4186869)	Displacement of BODIPY-cholesterol from human His-tagged RORgammat after 20 mins by TR-FRET assay
50002151	2	ChEMBL_1752110 (CHEMBL4186870)	Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL-17 ROR response element driven-bright-glo luciferase reporter gene assay
50002153	1	ChEMBL_1752168 (CHEMBL4186928)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analysis
50002153	2	ChEMBL_1752169 (CHEMBL4186929)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analysis
50002153	3	ChEMBL_1752171 (CHEMBL4186931)	Agonist activity at 5-HT1A receptor in Sprague-Dawley rat hippocampal membranes after 90 mins by microbeta scintillation counting based [35S]GTPgammaS binding assay
50002153	4	ChEMBL_1752173 (CHEMBL4186933)	Antagonist activity at 5-HT1A receptor in Sprague-Dawley rat hippocampal membranes assessed as inhibition of 8-OH-DPAT-induced receptor activation after 90 mins by microbeta scintillation counting based [35S]GTPgammaS binding assay
50002154	1	ChEMBL_1752181 (CHEMBL4186941)	Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis
50002154	2	ChEMBL_1752182 (CHEMBL4186942)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis
50002154	3	ChEMBL_1752184 (CHEMBL4186944)	Displacement of [3H]DPDPE from rat delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis
50002155	1	ChEMBL_1752190 (CHEMBL4186950)	Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells
50002155	2	ChEMBL_1752197 (CHEMBL4186957)	Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (M1 to L298 residues)/CyclinE1 (M1 to A395 residues) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate by [gamma33P]ATP-based assay
50002155	3	ChEMBL_1752224 (CHEMBL4186984)	Displacement of 125I-sauvagine from CRF1 receptor in human IMR-32 cells
50002155	4	ChEMBL_1752188 (CHEMBL4186948)	Inhibition of CDK1/CyclinB (unknown origin)
50002155	5	ChEMBL_1752191 (CHEMBL4186951)	Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (M1 to M298 residues)/CyclinA2 (M1 to V432 residues) expressed in Sf9 insect cells
50002155	6	ChEMBL_1752192 (CHEMBL4186952)	Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/CyclinD1 (Q4 to I295 residues) expressed in Sf9 insect cells
50002155	7	ChEMBL_1752193 (CHEMBL4186953)	Inhibition of recombinant human full length N-terminal GST/His6-tagged CDK5 (M1 to P292 residues)/N-terminal His6-tagged p25NCK (A104 to R307 residues) expressed in Sf9 insect cells
50002155	8	ChEMBL_1752194 (CHEMBL4186954)	Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (M1 to A326 residues)/CyclinD1 (Q4 to I295 residues) expressed in Sf9 insect cells
50002155	9	ChEMBL_1752195 (CHEMBL4186955)	Inhibition of recombinant human full length N-terminal GST/His6-tagged CDK7 (M1 to F346 residues)/N-terminal His6-tagged CyclinH (M1 to L323 residues)/N-terminal His6-tagged MAT1 (M1 to S306 residues) expressed in Sf9 insect cells
50002155	10	ChEMBL_1752196 (CHEMBL4186956)	Inhibition of recombinant human full length N-terminal GST/His6-tagged CDK9 (M1 to F372 residues)/N-terminal His6-tagged CyclinT1 (M1 to K726 residues) expressed in Sf9 insect cells
50002155	11	ChEMBL_1752219 (CHEMBL4186979)	Displacement of N6-[3H]Cyclohexyladenosine from adenosine A1 receptor in rat brain membranes after 60 mins
50002156	1	ChEMBL_1752239 (CHEMBL4186999)	Antagonist activity at rat brain GluN1/GluN2B receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced channel current by two electrode voltage clamp method
50002156	2	ChEMBL_1752238 (CHEMBL4186998)	Antagonist activity at rat brain GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced channel current by two electrode voltage clamp method
50002157	1	ChEMBL_1752249 (CHEMBL4187009)	Transactivation of mouse Gal4-fused RARgamma-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay
50002157	2	ChEMBL_1752246 (CHEMBL4187006)	Transactivation of mouse Gal4-fused RARbeta-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay
50002157	3	ChEMBL_1752244 (CHEMBL4187004)	Transactivation of mouse Gal4-fused RARalpha-LBD expressed in COS-7 cells after 1 day by bright-Glo reagent based assay
50002157	4	ChEMBL_1752259 (CHEMBL4187019)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50002157	5	ChEMBL_1752258 (CHEMBL4187018)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50002157	6	ChEMBL_1752261 (CHEMBL4187021)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50002157	7	ChEMBL_1752260 (CHEMBL4187020)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50002157	8	ChEMBL_1752257 (CHEMBL4187017)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50002157	9	ChEMBL_1752309 (CHEMBL4187069)	Transactivation of human Gal4-DBD-fused RARalpha-LBD expressed in HEK293T cells after 16 to 24 hrs by FRET based beta-lactamase reporter gene assay
50002157	10	ChEMBL_1752311 (CHEMBL4187071)	Displacement of [3H]-9-cis-retinoic acid from recombinant human full length RXRbeta after 24 hrs by scintillation counting analysis
50002157	11	ChEMBL_1752310 (CHEMBL4187070)	Displacement of [3H]-9-cis-retinoic acid from recombinant human full length RXRalpha after 16 hrs by scintillation counting analysis
50002158	1	ChEMBL_1752435 (CHEMBL4187195)	Inhibition of recombinant human full length N-terminal GST-tagged CK1epsilon expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342) peptide as substrate after 10 mins by TR-FRET assay
50002158	2	ChEMBL_1752434 (CHEMBL4187194)	Inhibition of recombinant human full length N-terminal GST-tagged CK1delta expressed in baculovirus in Sf9 insect cells using ULight-Topo-IIa(Thr1342) peptide as substrate after 10 mins by TR-FRET assay
50002159	1	ChEMBL_1752569 (CHEMBL4187329)	Inhibition of reverse transcriptase F227L/V106A double mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	2	ChEMBL_1752565 (CHEMBL4187325)	Inhibition of reverse transcriptase L100I mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	3	ChEMBL_1752559 (CHEMBL4187319)	Inhibition of reverse transcriptase Y181C mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	4	ChEMBL_1752568 (CHEMBL4187328)	Inhibition of reverse transcriptase E138K mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	5	ChEMBL_1752560 (CHEMBL4187320)	Inhibition of recombinant wild-type HIV-1 3B reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli JM109 assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50002159	6	ChEMBL_1752566 (CHEMBL4187326)	Inhibition of reverse transcriptase K103N mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	7	ChEMBL_1752567 (CHEMBL4187327)	Inhibition of reverse transcriptase Y188L mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002159	8	ChEMBL_1752570 (CHEMBL4187330)	Inhibition of reverse transcriptase K103N/Y181C double mutant in HIV1 infected in human MT4 cells assessed as protection against virus induced cytotoxicity after 5 days by MTT assay
50002160	1	ChEMBL_1752593 (CHEMBL4187353)	Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	2	ChEMBL_1752592 (CHEMBL4187352)	Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	3	ChEMBL_1752591 (CHEMBL4187351)	Binding affinity to recombinant human carbonic anhydrase 9 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	4	ChEMBL_1752590 (CHEMBL4187350)	Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	5	ChEMBL_1752589 (CHEMBL4187349)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	6	ChEMBL_1752588 (CHEMBL4187348)	Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	7	ChEMBL_1752587 (CHEMBL4187347)	Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	8	ChEMBL_1752586 (CHEMBL4187346)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	9	ChEMBL_1752585 (CHEMBL4187345)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	10	ChEMBL_1752584 (CHEMBL4187344)	Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	11	ChEMBL_1752578 (CHEMBL4187338)	Binding affinity to recombinant human N-terminal His-tagged carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	12	ChEMBL_1752594 (CHEMBL4187354)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	13	ChEMBL_1752580 (CHEMBL4187340)	Binding affinity to recombinant human carbonic anhydrase 12 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	14	ChEMBL_1752581 (CHEMBL4187341)	Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	15	ChEMBL_1752582 (CHEMBL4187342)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	16	ChEMBL_1752583 (CHEMBL4187343)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
50002160	17	ChEMBL_1752579 (CHEMBL4187339)	Binding affinity to recombinant human carbonic anhydrase 9 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	18	ChEMBL_1752577 (CHEMBL4187337)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 6 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	19	ChEMBL_1752576 (CHEMBL4187336)	Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	20	ChEMBL_1752575 (CHEMBL4187335)	Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	21	ChEMBL_1752574 (CHEMBL4187334)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	22	ChEMBL_1752573 (CHEMBL4187333)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	23	ChEMBL_1752572 (CHEMBL4187332)	Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (1 to 260 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002160	24	ChEMBL_1752571 (CHEMBL4187331)	Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 1 (3 to 261 residues) expressed in Escherichia coli BL21 (DE3) in presence of ANS by fluorescent thermal shift assay
50002161	1	ChEMBL_1752597 (CHEMBL4187357)	Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis
50002161	2	ChEMBL_1752596 (CHEMBL4187356)	Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometry
50002161	3	ChEMBL_1752598 (CHEMBL4187358)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry
50002161	4	ChEMBL_1752599 (CHEMBL4187359)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis
50002161	5	ChEMBL_1752600 (CHEMBL4187360)	Time dependent inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate preincubated with enzyme for 30 mins by UV-spectrophotometric method
50002161	6	ChEMBL_1752605 (CHEMBL4187365)	Mixed type inhibition of alpha-glucosidase (unknown origin) assessed as enzyme-substrate-inhibitor complex formation using PNP-G as substrate by Lineweaver-Burk plot analysis
50002162	1	ChEMBL_1752648 (CHEMBL4187408)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 2.5 mins followed by capsaicin addition measured for 5 mins by aequorin dye based assay
50002163	1	ChEMBL_1752653 (CHEMBL4187413)	Inhibition of HDAC6 (unknown origin) preincubated for 10 mins followed by Ac-Leu-GlyLys(Ac)-AMC substrate addition measured after 30 mins by fluorescence based assay
50002163	2	ChEMBL_1752659 (CHEMBL4187419)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA
50002164	1	ChEMBL_1752661 (CHEMBL4187421)	Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human Cyclin-T1 (M1 to K726 residues) expressed in Sf9 cells at 10 uM using TAMRA-Rbtide substrate and ATP incubated for 1 hr by fluorescent polarization assay
50002164	2	ChEMBL_1752663 (CHEMBL4187423)	Inhibition of human PLK1 kinase domain using 5-TAMRA-RGSFNDTLDFD-NH2 substrate and ATP incubated for 90 mins by fluorescent polarization assay
50002165	1	ChEMBL_1752666 (CHEMBL4187426)	Inhibition of human His-FLAG tagged CBP/EP300 (1082 to 1197 residues) using H4-TetraAc-biotin peptide as substrate after 90 mins by AlphaLISA method
50002166	1	ChEMBL_1752668 (CHEMBL4187428)	Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before TcdB addition by luminescence based assay1
50002166	2	ChEMBL_1752667 (CHEMBL4187427)	Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in glucosyltransferase domain UDP-glucose hydrolysis activity using UDP-glucose and ADP Alexa633 tracer incubated fore 3 hrs by fluorescence polarization assay
50002166	3	ChEMBL_1752669 (CHEMBL4187429)	Inhibition of Clostridium difficile toxin A transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before TcdA addition by luminescence based assay1
50002167	1	ChEMBL_1752743 (CHEMBL4187503)	Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA addition fluorescence spectrometry
50002168	1	ChEMBL_1752777 (CHEMBL4187537)	Inhibition of Lp-PLA2 in human plasma LDL fractions using 2-thio platelet-activating factor as substrate by TMB dye based spectrophotometry
50002168	2	ChEMBL_1752778 (CHEMBL4187538)	Inhibition of human Lp-PLA2
50002169	1	ChEMBL_1752782 (CHEMBL4187542)	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay
50002169	2	ChEMBL_1752783 (CHEMBL4187543)	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay
50002170	1	ChEMBL_1752784 (CHEMBL4187544)	Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by nigericin sodium salt stimulation for 2 hrs post LPS challenge for 3 hrs by ELISA
50002170	2	ChEMBL_1752785 (CHEMBL4187545)	Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production by ELISA
50002171	1	ChEMBL_1752835 (CHEMBL4187595)	Inhibition of Rac1 in human MDA-MB-435 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay
50002171	2	ChEMBL_1752836 (CHEMBL4187596)	Inhibition of Rac1 in human MDA-MB-231 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay
50002171	3	ChEMBL_1752840 (CHEMBL4187600)	Inhibition of Vav2 binding to Rac1 G15A mutant in human MDA-MB-231 cells after 1 hr by pull down assay
50002172	1	ChEMBL_1752845 (CHEMBL4187605)	Displacement of [3H]-DHA from Nb69-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintillation counting method
50002172	2	ChEMBL_1752844 (CHEMBL4187604)	Displacement of [3H]-DHA from Nb80-fused beta2 adrenergic receptor (unknown origin) expressed in Sf9 cell membranes after 2 hrs by microbeta scintillation counting method
50002174	1	ChEMBL_1752858 (CHEMBL4187618)	Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 2 nM Spectrozyme tPA substrate addition for 15 mins using 5 nM enzyme and chromogenic substrate S-2288 by spectrophotometry
50002174	2	ChEMBL_1752859 (CHEMBL4187619)	Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA substrate addition for 15 mins using 24.5 nM enzyme and chromogenic substrate S-2288 by spectrophotometry
50002174	3	ChEMBL_1752854 (CHEMBL4187614)	Inhibition of human PAI-1 assessed as remaining enzyme activity by measuring p-nitroaniline release pre-incubated for 15 mins before 9.8 nM human tPA substrate addition for 15 mins using 67 nM enzyme and chromogenic substrate S-2288 by spectrophotometry
50002175	1	ChEMBL_1752865 (CHEMBL4187625)	Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluorescence based assay
50002175	2	ChEMBL_1752864 (CHEMBL4187624)	Inhibition of human FAAH
50002175	3	ChEMBL_1752866 (CHEMBL4187626)	Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay
50002175	4	ChEMBL_1752869 (CHEMBL4187629)	Competitive inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using varying CMNPC substrate levels by fluorescence based assay
50002175	5	ChEMBL_1752874 (CHEMBL4187634)	Inhibition of PON1 (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	6	ChEMBL_1752878 (CHEMBL4187638)	Inhibition of FAAH in mouse brain microsomes using OMP substrate by fluorescence based assay
50002175	7	ChEMBL_1752883 (CHEMBL4187643)	Inhibition of soluble epoxide in mouse brain microsomes using CMNPC substrate by fluorescence based assay
50002175	8	ChEMBL_1752871 (CHEMBL4187631)	Inhibition of microsomal epoxide hydrolase (unknown origin) expressed in baculovirus system using CMNMC substrate by fluorescence based assay
50002175	9	ChEMBL_1752873 (CHEMBL4187633)	Inhibition of human carboxylesterase 2 expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	10	ChEMBL_1752863 (CHEMBL4187623)	Inhibition of soluble epoxide hydrolase (unknown origin)
50002175	11	ChEMBL_1752872 (CHEMBL4187632)	Inhibition of human carboxylesterase 1 expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	12	ChEMBL_1752875 (CHEMBL4187635)	Inhibition of PON2 (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	13	ChEMBL_1752876 (CHEMBL4187636)	Inhibition of PON3 (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	14	ChEMBL_1752877 (CHEMBL4187637)	Inhibition of AADAC (unknown origin) expressed in baculovirus system using CMNA substrate by fluorescence based assay
50002175	15	ChEMBL_1752879 (CHEMBL4187639)	Inhibition of FAAH in rat brain microsomes using OMP substrate by fluorescence based assay
50002175	16	ChEMBL_1752884 (CHEMBL4187644)	Inhibition of soluble epoxide in rat brain microsomes using CMNPC substrate by fluorescence based assay
50002176	1	ChEMBL_1752997 (CHEMBL4187757)	Inhibition of CYP1A2 (unknown origin)
50002176	2	ChEMBL_1752998 (CHEMBL4187758)	Inhibition of CYP2C19 (unknown origin)
50002176	3	ChEMBL_1752999 (CHEMBL4187759)	Inhibition of CYP2C8 (unknown origin)
50002176	4	ChEMBL_1753000 (CHEMBL4187760)	Inhibition of CYP2C9 (unknown origin)
50002176	5	ChEMBL_1752996 (CHEMBL4187756)	Inhibition of CYP3A4 (unknown origin)
50002176	6	ChEMBL_1753001 (CHEMBL4187761)	Inhibition of CYP2D6 (unknown origin)
50002177	1	ChEMBL_1753018 (CHEMBL4187778)	Inhibition of recombinant human DPP8 using H-Gly-Pro-AMC as substrate measured after 10 mins by fluorescence assay
50002177	2	ChEMBL_1753017 (CHEMBL4187777)	Inhibition of human DPP4 using A-P-7-amido-4-trifluoromethylcoumarin as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins
50002177	3	ChEMBL_1753019 (CHEMBL4187779)	Inhibition of recombinant human DPP9 using H-Gly-Pro-AMC as substrate measured after 10 mins by fluorescence assay
50002178	1	ChEMBL_1753067 (CHEMBL4187827)	Inhibition of ovine COX1 assessed as reduction in Prostaglandin production by enzyme immunoassay
50002178	2	ChEMBL_1753068 (CHEMBL4187828)	Inhibition of recombinant human N-terminal His-tagged COX2 expressed in baculovirus infected Sf21 cells assessed as reduction in prostaglandin production by enzyme immunoassay
50002179	1	ChEMBL_1753078 (CHEMBL4187838)	Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition
50002179	2	ChEMBL_1753079 (CHEMBL4187839)	Inhibition of human recombinant MAOB using benzylamine as substrate preincubated for 30 mins followed by substrate addition
50002179	3	ChEMBL_1753076 (CHEMBL4187836)	Competitive inhibition of human recombinant MAOA using 0.006 to 0.15 mM kynuramine as substrate preincubated for 30 mins followed by substrate addition by Lineweaver-Burk plot
50002179	4	ChEMBL_1753077 (CHEMBL4187837)	Competitive inhibition of human recombinant MAOB using 0.06 to 1.5 mM benzylamine as substrate preincubated for 30 mins followed by substrate addition by Lineweaver-Burk plot
50002180	1	ChEMBL_1753120 (CHEMBL4187880)	Inhibition of human BCR/ABL V299L mutant
50002181	1	ChEMBL_1753238 (CHEMBL4187998)	Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Lance Ultra cAMP assay
50002181	2	ChEMBL_1753240 (CHEMBL4188000)	Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay
50002181	3	ChEMBL_1753239 (CHEMBL4187999)	Agonistic activity at human 5-HT1A receptor measured after 60 mins by Ultra Lance cAMP assay
50002181	4	ChEMBL_1753242 (CHEMBL4188002)	Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay
50002181	5	ChEMBL_1753243 (CHEMBL4188003)	Antagonistic activity at histamine 1 receptor (unknown origin) after 10 mins by FLIPR assay
50002181	6	ChEMBL_1753244 (CHEMBL4188004)	Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay
50002182	1	ChEMBL_1753283 (CHEMBL4188043)	Inhibition of human glutaminyl cyclase using Gln-AMC as substrate by pGAPase coupled fluorescence assay
50002184	1	ChEMBL_1753306 (CHEMBL4188066)	Displacement of fluormone Pan-PPAR Green from human GST-tagged PPARgamma-LBD by TR-FRET assay
50002186	1	ChEMBL_1753351 (CHEMBL4188111)	Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phospho(enol)pyruvate and NADH by pyruvate kinase and LDH based ADP/NADH coupling assay
50002187	1	ChEMBL_1753374 (CHEMBL4188134)	Binding affinity to 14-3-3zeta (unknown origin) assessed as stabilization of protein-protein interaction between 14-3-3zeta and fluorescein-labeled phosphopeptide by measuring Kd of FAM-KRSHpSV-COOH at 40 uM by fluorescence polarization assay (Rvb = 470 +/- 20 nM)
50002188	1	ChEMBL_1753388 (CHEMBL4188148)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-gamma addition and measured after 18 hrs
50002189	1	ChEMBL_1753391 (CHEMBL4188151)	Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent based assay
50002191	1	ChEMBL_1753395 (CHEMBL4188155)	Agonist activity at human LXRbeta expressed in HEK293 cells co-expressing CMX-beta-galactosidase incubated for 16 hrs by luciferase reporter gene assay
50002191	2	ChEMBL_1753393 (CHEMBL4188153)	Agonist activity at human LXRalpha expressed in HEK293 cells co-expressing CMX-beta-galactosidase incubated for 16 hrs by luciferase reporter gene assay
50002191	3	ChEMBL_1753400 (CHEMBL4188160)	Agonist activity at mouse LXRbeta expressed in HEK293 cells co-expressing CMX-beta-galactosidase incubated for 16 hrs by luciferase reporter gene assay
50002191	4	ChEMBL_1753411 (CHEMBL4188171)	Agonist activity at LXRbeta ligand-binding domain (unknown origin) incubated for 1.5 hrs using fluorescein-labeled coactivator peptide by TR-FRET competitive binding assay
50002192	1	ChEMBL_1753422 (CHEMBL4188182)	Inhibition of KDM4A (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substrate addition by Alphascreen assay
50002192	2	ChEMBL_1753421 (CHEMBL4188181)	Inhibition of KDM4C (unknown origin) expressed in Escherichia coli using biotinylated peptide as substrate pretreated for 15 mins followed by substrate addition by Alphascreen assay
50002192	3	ChEMBL_1753428 (CHEMBL4188188)	Binding affinity to biotinylated-KDM4A (unknown origin) at 300 nM by bio-layer interferometric method
50002192	4	ChEMBL_1753429 (CHEMBL4188189)	Stabilization of FLAG-tagged KDM4A (1 to 1064 residues) (unknown origin) expressed in human U2OS cells measured after 3 hrs by CETSA
50002192	5	ChEMBL_1753425 (CHEMBL4188185)	Inhibition of full length FLAG-tagged KDM4A (unknown origin) expressed in human HeLa cells assessed as increase in H3K9me3 levels after 24 hrs by DAPI staining based immunofluorescence assay
50002192	6	ChEMBL_1753430 (CHEMBL4188190)	Binding affinity to N-terminal His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) Rosetta by bio-layer interferometric method
50002193	1	ChEMBL_1753489 (CHEMBL4188249)	Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxidase assay
50002193	2	ChEMBL_1753495 (CHEMBL4188255)	Inhibition of PSMA (unknown origin)
50002194	1	ChEMBL_1753605 (CHEMBL4188365)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50002194	2	ChEMBL_1753604 (CHEMBL4188364)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay
50002195	1	ChEMBL_1753624 (CHEMBL4188384)	Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human midkine after 5 mins by fluorescence polarization assay
50002195	2	ChEMBL_1753625 (CHEMBL4188385)	Inhibition of fluorescein labelled heparin-like hexasaccharide probe binding to recombinant human FGF-2 after 5 mins by fluorescence polarization assay
50002198	1	ChEMBL_1753632 (CHEMBL4188392)	Inhibition of wild type recombinant human His6-tagged RIPK2 using RS repeat peptide substrate incubated for 2 hrs by ADP-Glo assay
50002198	2	ChEMBL_1753633 (CHEMBL4188393)	Inhibition of recombinant human His6-tagged RIPK2 R171C mutant using RS repeat peptide substrate incubated for 2 hrs by ADP-Glo assay
50002199	1	ChEMBL_1753651 (CHEMBL4188411)	Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay
50002199	2	ChEMBL_1753652 (CHEMBL4188412)	Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) after 1 hr by HTRF assay
50002199	3	ChEMBL_1753657 (CHEMBL4188417)	Inhibition of TGFbetaR1 in human primary T-cells assessed as TGFbeta-stimulated PSMAD phosphorylation preincubated for 1 hr followed by TGFbeta addition measured after 90 mins by Alpha screen assay
50002200	1	ChEMBL_1753662 (CHEMBL4188422)	Inhibition of HCV genotype 1a NS5A polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay
50002200	2	ChEMBL_1753663 (CHEMBL4188423)	Inhibition of NS5B polymerase in HCV genotype 1b infected human HuH7 replicon cells assessed as reduction in viral RNA level after 3 days by RT-PCR assay
50002200	3	ChEMBL_1753661 (CHEMBL4188421)	Inhibition of HCV genotype 1a NS5A polymerase L31V/Y93H double mutant infected in human HuH7 replicon cells by luciferase reporter gene assay
50002200	4	ChEMBL_1753660 (CHEMBL4188420)	Inhibition of HCV genotype 1b NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay
50002200	5	ChEMBL_1753668 (CHEMBL4188428)	Inhibition of HCV genotype 4a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay
50002200	6	ChEMBL_1753667 (CHEMBL4188427)	Inhibition of HCV genotype 3a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay
50002200	7	ChEMBL_1753666 (CHEMBL4188426)	Inhibition of HCV genotype 2a NS5B polymerase infected in human HuH7 replicon cells by luciferase reporter gene assay
50002201	1	ChEMBL_1753693 (CHEMBL4188453)	Displacement of [125I-HEAT from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins
50002201	2	ChEMBL_1753694 (CHEMBL4188454)	Displacement of [125I-HEAT from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins
50002201	3	ChEMBL_1753692 (CHEMBL4188452)	Displacement of [125I-HEAT from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes incubated for 60 mins
50002202	1	ChEMBL_1753700 (CHEMBL4188460)	Inhibition of Nox4 in HASMCs assessed as reduction in TGFbeta-induced increase in smooth muscle alpha actin level pretreated for 30 mins followed by TGFbeta stimulation after 24 hrs by Western blot analysis
50002203	1	ChEMBL_1753711 (CHEMBL4188471)	Inhibition of BACE1 in HEK293 cells
50002203	2	ChEMBL_1753710 (CHEMBL4188470)	Inhibition of human BACE1
50002205	1	ChEMBL_1753736 (CHEMBL4188496)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 5 mins by ELISA
50002206	1	ChEMBL_1753751 (CHEMBL4188511)	Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate
50002206	2	ChEMBL_1753752 (CHEMBL4188512)	Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate pretreated for 2 mins followed by substrate addition
50002206	3	ChEMBL_1753753 (CHEMBL4188513)	Inhibition of recombinant His-tagged MIF tautomerase activity (unknown origin) using 4-HPP as substrate pretreated for 40 mins followed by substrate addition
50002207	1	ChEMBL_1753761 (CHEMBL4188521)	Inhibition of CDK4 (unknown origin) after 90 mins by ADP-Glo assay
50002207	2	ChEMBL_1753760 (CHEMBL4188520)	Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 mins by ADP-Glo assay
50002207	3	ChEMBL_1753762 (CHEMBL4188522)	Inhibition of recombinant human full length CDK6 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 mins by ADP-Glo assay
50002207	4	ChEMBL_1753772 (CHEMBL4188532)	Inhibition of recombinant human N-terminal GST-tagged CDK4 (M1 to A326 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using Rb protein (773 to 928 residues) as substrate in presence of [33P]-ATP by scintillation counting method
50002207	5	ChEMBL_1753771 (CHEMBL4188531)	Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using Rb protein (773 to 928 residues) as substrate in presence of [33P]-ATP by scintillation counting method
50002207	6	ChEMBL_1753764 (CHEMBL4188524)	Inhibition of human ERG
50002209	1	ChEMBL_1753773 (CHEMBL4188533)	Inhibition of prolyl oligopeptidase (unknown origin)
50002209	2	ChEMBL_1753774 (CHEMBL4188534)	Inhibition of Flavobacterium POP preincubated for 5 mins followed by Z-Gly-Pro-pNA substrate measured after 30 mins
50002210	1	ChEMBL_1753837 (CHEMBL4188597)	Inhibition of human NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence assay
50002210	2	ChEMBL_1753839 (CHEMBL4188599)	Inhibition of NNMT in human U2OS cells assessed as reduction in MNA production after 24 hrs by LC-MS/MS analysis
50002210	3	ChEMBL_1753840 (CHEMBL4188600)	Inhibition of NNMT in mouse 3T3L1 cells assessed as reduction in MNA production after 24 hrs by LC-MS/MS analysis
50002210	4	ChEMBL_1753846 (CHEMBL4188606)	Inhibition of CYP3A4 (unknown origin)
50002210	5	ChEMBL_1753847 (CHEMBL4188607)	Inhibition of CYP2D6 (unknown origin)
50002210	6	ChEMBL_1753848 (CHEMBL4188608)	Inhibition of CYP2C9 (unknown origin)
50002210	7	ChEMBL_1753838 (CHEMBL4188598)	Inhibition of mouse NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence assay
50002210	8	ChEMBL_1753849 (CHEMBL4188609)	Inhibition of CYP2C19 (unknown origin)
50002211	1	ChEMBL_1753885 (CHEMBL4188645)	Inhibition of CYP3A4 (unknown origin)
50002211	2	ChEMBL_1753883 (CHEMBL4188643)	Inhibition of CYP2C19 (unknown origin)
50002211	3	ChEMBL_1753881 (CHEMBL4188641)	Inhibition of CYP1A2 (unknown origin)
50002211	4	ChEMBL_1753882 (CHEMBL4188642)	Inhibition of CYP2C9 (unknown origin)
50002211	5	ChEMBL_1753884 (CHEMBL4188644)	Inhibition of CYP2D6 (unknown origin)
50002212	1	ChEMBL_1753909 (CHEMBL4188669)	Inhibition of Human rhinovirus serotype 14 3C protease preincubated for 1 hr followed by Cys(PT14M)-Ala-Ile-Phe-Gln'Gly-Pro-Asp-Phe(4-NH2)-OH substrate addition measured after 1 hr by fluorescence lifetime readout assay
50002213	1	ChEMBL_1753919 (CHEMBL4188679)	Displacement of [3H]-5-carboxamidotryptamine from 5-HT7 receptor (unknown origin)
50002214	1	ChEMBL_1753977 (CHEMBL4188737)	Antagonist activity at recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in channel current at -60 mV holding potential after 600 secs by barracuda automated electrophysiology method
50002214	2	ChEMBL_1753978 (CHEMBL4188738)	Antagonist activity at recombinant human Nav1.5 expressed in HEK293 cells assessed as reduction in channel current at -50 mV holding potential after 600 secs by barracuda automated electrophysiology method
50002214	3	ChEMBL_1753979 (CHEMBL4188739)	Antagonist activity at recombinant human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current at -65 mV holding potential by patch clamp electrophysiology
50002214	4	ChEMBL_1753983 (CHEMBL4188743)	Antagonist activity at recombinant human Nav1.6 assessed as reduction in channel current by barracuda automated electrophysiology method
50002214	5	ChEMBL_1753982 (CHEMBL4188742)	Antagonist activity at recombinant human Nav1.2 assessed as reduction in channel current by barracuda automated electrophysiology method
50002215	1	ChEMBL_1753986 (CHEMBL4188746)	Binding affinity to recombinant human full length PKA-R2alpha expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction with AKAP by fluorescence polarization analysis
50002215	2	ChEMBL_1753987 (CHEMBL4188747)	Binding affinity to recombinant human full length PKA-R2beta expressed in Escherichia coli BL21 DE3-RIL cells assessed as reduction in interaction with AKAP by fluorescence polarization analysis
50002216	1	ChEMBL_1753992 (CHEMBL4188752)	Inhibition of recombinant human GST-tagged PARP1 expressed in Escherichia coli using damaged DNA as substrate after 30 mins in presence of NAD+ by resazurin dye based fluorescence assay
50002217	1	ChEMBL_1753994 (CHEMBL4188754)	Inhibition of human mPGES1 expressed in 293 cell microsomes preincubated for 15 mins followed by PGH2 substrate addition measured after 3 secs by enzyme immunoassay
50002218	1	ChEMBL_1753998 (CHEMBL4188758)	Agonist activity at recombinant human GPR120 short isoform expressed in HEK293 cells assessed as intracellular calcium flux measured for 300 secs at 1 sec time interval by Fluo-4 NW based FLIPR assay
50002218	2	ChEMBL_1754032 (CHEMBL4188792)	Agonist activity at recombinant mouse GPR120 expressed in HEK293 cells
50002218	3	ChEMBL_1754033 (CHEMBL4188793)	Agonist activity at recombinant human PK-tagged GPR120 long isoform expressed in CHOK1 cells co-expressing EA-tagged beta-arrestin assessed as beta-gal enzyme complex formation after 90 mins by enzyme fragment complementation assay
50002218	4	ChEMBL_1754037 (CHEMBL4188797)	Agonist activity at mouse GPR40
50002218	5	ChEMBL_1754035 (CHEMBL4188795)	Agonist activity at human GPR40
50002218	6	ChEMBL_1754034 (CHEMBL4188794)	Agonist activity at GPR120 in human HT-29 cells assessed as intracellular calcium flux
50002218	7	ChEMBL_1754031 (CHEMBL4188791)	Agonist activity at recombinant rat GPR120 expressed in HEK293 cells
50002219	1	ChEMBL_1754112 (CHEMBL4188872)	Binding affinity to Pseudomonas aeruginosa HemO by intrinsic fluorescence quenching assay
50002220	1	ChEMBL_1754141 (CHEMBL4188901)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 15 uM exosite 1 competitor hirudine peptide by spectrophotometric method
50002220	2	ChEMBL_1754119 (CHEMBL4188879)	Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectrophotometric method
50002220	3	ChEMBL_1754143 (CHEMBL4188903)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 2 competitor unfractionated heparin by spectrophotometric method
50002220	4	ChEMBL_1754145 (CHEMBL4188905)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 20 uM exosite 2 competitor unfractionated heparin by spectrophotometric method
50002220	5	ChEMBL_1754120 (CHEMBL4188880)	Partial allosteric inhibition of human thrombin using S-23666 as substrate measured after 1 min by fibrometric method
50002220	6	ChEMBL_1754121 (CHEMBL4188881)	Binding affinity to human fluorescence labelled FPRCK-alpha thrombin by fluorimetric method
50002220	7	ChEMBL_1754122 (CHEMBL4188882)	Binding affinity to wild-type thrombin (unknown origin) by intrinsic fluorescence method
50002220	8	ChEMBL_1754139 (CHEMBL4188899)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 1 competitor hirudine peptide by spectrophotometric method
50002220	9	ChEMBL_1754140 (CHEMBL4188900)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 5 uM exosite 1 competitor hirudine peptide by spectrophotometric method
50002220	10	ChEMBL_1754142 (CHEMBL4188902)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 30 uM exosite 1 competitor hirudine peptide by spectrophotometric method
50002220	11	ChEMBL_1754144 (CHEMBL4188904)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 10 uM exosite 2 competitor unfractionated heparin by spectrophotometric method
50002220	12	ChEMBL_1754146 (CHEMBL4188906)	Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 50 uM exosite 2 competitor unfractionated heparin by spectrophotometric method
50002220	13	ChEMBL_1754162 (CHEMBL4188922)	Inhibition of thrombin (unknown origin)
50002221	1	ChEMBL_1754176 (CHEMBL4188936)	Inhibition of Staphylococcus aureus RnpA-mediated mRNA degradation after 15 to 30 mins by ethidium bromide staining based agarose gel electrophoresis
50002222	1	ChEMBL_1754206 (CHEMBL4188966)	Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preincubated for 30 mins followed by substrate addition measured after 50 to 60 mins by fluorescence assay
50002223	1	ChEMBL_1754210 (CHEMBL4188970)	Inhibition of AKT (unknown origin) using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	2	ChEMBL_1754226 (CHEMBL4188986)	Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	3	ChEMBL_1754221 (CHEMBL4188981)	Inhibition of wild-type human partial length TYRO3 (S497 to T814 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	4	ChEMBL_1754220 (CHEMBL4188980)	Inhibition of wild-type human partial length RET (E713 to D1014 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	5	ChEMBL_1754218 (CHEMBL4188978)	Inhibition of wild-type human partial length VEGFR2 (R787 to P1253 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	6	ChEMBL_1754217 (CHEMBL4188977)	Inhibition of wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	7	ChEMBL_1754215 (CHEMBL4188975)	Inhibition of wild-type human partial length MET (D1010 to S1367 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	8	ChEMBL_1754214 (CHEMBL4188974)	Inhibition of wild-type human partial length MER (R557 to L884 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	9	ChEMBL_1754212 (CHEMBL4188972)	Inhibition of wild-type human partial length AXL (R497 to Y821 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	10	ChEMBL_1754211 (CHEMBL4188971)	Inhibition of human partial length Aurora A (E122 to K401 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	11	ChEMBL_1754241 (CHEMBL4189001)	Inhibition of MER (unknown origin)
50002223	12	ChEMBL_1754216 (CHEMBL4188976)	Inhibition of wild-type human partial length SRC (L240 to L536 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	13	ChEMBL_1754240 (CHEMBL4189000)	Inhibition of AXL (unknown origin)
50002223	14	ChEMBL_1754228 (CHEMBL4188988)	Inhibition of wild-type human partial length PDGFRA (V575 to D1002 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	15	ChEMBL_1754219 (CHEMBL4188979)	Inhibition of wild-type human partial length MTOR (L1382 to W2549 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	16	ChEMBL_1754227 (CHEMBL4188987)	Inhibition of human partial length FLT3 D835Y mutant (Q580 to Y969 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	17	ChEMBL_1754225 (CHEMBL4188985)	Inhibition of wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	18	ChEMBL_1754224 (CHEMBL4188984)	Inhibition of wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	19	ChEMBL_1754223 (CHEMBL4188983)	Inhibition of wild-type human partial length AURKB (D25 to A303 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	20	ChEMBL_1754222 (CHEMBL4188982)	Inhibition of wild-type human partial length ALK (I1088 to E1409 residues) expressed in mammalian expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002223	21	ChEMBL_1754213 (CHEMBL4188973)	Inhibition of wild-type human partial length KIT (I571 to D952 residues) expressed in bacterial expression system using poly [Glu, Try] 4:1 as substrate in presence of [gamma-33P]ATP
50002225	1	ChEMBL_1754291 (CHEMBL4189051)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins
50002225	2	ChEMBL_1754298 (CHEMBL4189058)	Inhibition of CYP2D6 (unknown origin)
50002225	3	ChEMBL_1754297 (CHEMBL4189057)	Inhibition of CYP3A4 (unknown origin)
50002225	4	ChEMBL_1754296 (CHEMBL4189056)	Inhibition of CYP1A2 (unknown origin)
50002225	5	ChEMBL_1754294 (CHEMBL4189054)	Inhibition of CYP2C9 (unknown origin)
50002225	6	ChEMBL_1754293 (CHEMBL4189053)	Inhibition of CYP2C8 (unknown origin)
50002225	7	ChEMBL_1754295 (CHEMBL4189055)	Inhibition of CYP2C19 (unknown origin)
50002226	1	ChEMBL_1754306 (CHEMBL4189066)	Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
50002226	2	ChEMBL_1754307 (CHEMBL4189067)	Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis
50002227	1	ChEMBL_1754336 (CHEMBL4189096)	Inhibition of PTP1B (unknown origin)
50002227	2	ChEMBL_1754337 (CHEMBL4189097)	Non-competitive inhibition of PTP1B (unknown origin) using p-NPP as substrate by Lineweaver-Burk plot analysis
50002227	3	ChEMBL_1754347 (CHEMBL4189107)	Inhibition of TCPTP (unknown origin)
50002228	1	ChEMBL_1754384 (CHEMBL4189144)	Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate after 30 mins
50002228	2	ChEMBL_1754383 (CHEMBL4189143)	Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate after 30 mins
50002228	3	ChEMBL_1754389 (CHEMBL4189149)	Inhibition of human PDE8A1
50002228	4	ChEMBL_1754385 (CHEMBL4189145)	Inhibition of human PDE3B
50002228	5	ChEMBL_1754392 (CHEMBL4189152)	Inhibition of human PDE11A
50002228	6	ChEMBL_1754365 (CHEMBL4189125)	Inhibition of human PDE1A
50002228	7	ChEMBL_1754364 (CHEMBL4189124)	Inhibition of human PDE2A
50002228	8	ChEMBL_1754386 (CHEMBL4189146)	Inhibition of human PDE5A
50002228	9	ChEMBL_1754387 (CHEMBL4189147)	Inhibition of human PDE6C
50002228	10	ChEMBL_1754388 (CHEMBL4189148)	Inhibition of human PDE7A
50002228	11	ChEMBL_1754390 (CHEMBL4189150)	Inhibition of human PDE9A2
50002228	12	ChEMBL_1754391 (CHEMBL4189151)	Inhibition of human PDE10A2
50002229	1	ChEMBL_1754402 (CHEMBL4189162)	Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 458 residues) expressed in Escherichia coli BL21 gold (DE3) cells assessed as decrease in RIP140 peptide recruitment after 2 hrs by TR-FRET assay
50002229	2	ChEMBL_1754403 (CHEMBL4189163)	Agonist activity at Gal4 fused ERRgamma-LBD (unknown origin) expressed in HEK293T cells after 20 hrs by UAS-luciferase reporter gene assay
50002229	3	ChEMBL_1754407 (CHEMBL4189167)	Partial agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 458 residues) expressed in Escherichia coli BL21 gold (DE3) cells assessed as decrease in RIP140 peptide recruitment after 2 hrs by TR-FRET assay
50002229	4	ChEMBL_1754408 (CHEMBL4189168)	Inverse agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 458 residues) expressed in Escherichia coli BL21 gold (DE3) cells assessed as decrease in RIP140 peptide recruitment after 2 hrs by TR-FRET assay
50002229	5	ChEMBL_1754410 (CHEMBL4189170)	Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed as decrease in RIP140 peptide recruitment by TR-FRET assay
50002229	6	ChEMBL_1754411 (CHEMBL4189171)	Agonist activity at Herpes simplex virus Gal4 fused VP16-LBD expressed in HEK293T cells after 20 hrs by UAS-luciferase reporter gene assay
50002230	1	ChEMBL_1754416 (CHEMBL4189176)	Inhibition of recombinant human CDK9/cyclin T1 using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 90 mins by fluorescence assay relative to control
50002230	2	ChEMBL_1754415 (CHEMBL4189175)	Inhibition of recombinant human CDK2/cyclin A using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 15 mins by fluorescence assay relative to control
50002231	1	ChEMBL_1754449 (CHEMBL4189209)	Inhibition of rat GST-tagged CK1delta M82F mutant at 10 uM using alpha-casein as substrate after 30 mins in presence of [gamma-32P]-ATP by Cherenkov counting method
50002231	2	ChEMBL_1754447 (CHEMBL4189207)	Inhibition of rat recombinant CK1delta kinase domain using alpha-casein as substrate after 30 mins in presence of [gamma-32P]-ATP by Cherenkov counting method
50002231	3	ChEMBL_1754477 (CHEMBL4189237)	Inhibition of CK1delta in HEK293T cells assessed as stimulation of Wnt/beta-catenin signaling after 22 hrs in presence of Wnt3A-conditioned medium by Super-top flash reporter gene assay
50002231	4	ChEMBL_1754448 (CHEMBL4189208)	Inhibition of full-length rat GST-tagged CK1delta using alpha-casein as substrate after 30 mins in presence of [gamma-32P]-ATP by Cherenkov counting method
50002231	5	ChEMBL_1754450 (CHEMBL4189210)	Inhibition of human recombinant CK1epsilon using alpha-casein as substrate after 30 mins in presence of [gamma-32P]-ATP by Cherenkov counting method
50002231	6	ChEMBL_1754475 (CHEMBL4189235)	Inhibition of porcupine in HEK293T cells transfected with Wnt3A-expressing vector assessed as suppression of Wnt/beta-catenin signaling after 22 hrs by Super-top flash reporter gene assay
50002231	7	ChEMBL_1754485 (CHEMBL4189245)	Inhibition of human CK1delta transcription variant 1 using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by Cherenkov counting method
50002231	8	ChEMBL_1754484 (CHEMBL4189244)	Inhibition of rat recombinant GST-tagged CK1delta using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by Cherenkov counting method
50002231	9	ChEMBL_1754486 (CHEMBL4189246)	Inhibition of human CK1delta transcription variant 2 using GST-tagged mouse p53 (1 to 64 residues) as substrate in presence of radiolabelled-ATP by Cherenkov counting method
50002232	1	ChEMBL_1754505 (CHEMBL4189265)	Irreversible binding affinity to recombinant human PKM2 expressed in Escherichia coli BL21
50002232	2	ChEMBL_1754503 (CHEMBL4189263)	Activation of recombinant human PKM2 expressed in Escherichia coli BL21 at 4 uM incubated for 50 mins measured over 40 mins
50002233	1	ChEMBL_1754525 (CHEMBL4189285)	Displacement of (+)-JQ1 from 6H-Thr BRD4 Y97A mutant BD2 (unknown origin) after 30 mins by TR-FRET assay
50002233	2	ChEMBL_1754524 (CHEMBL4189284)	Displacement of (+)-JQ1 from 6H-Thr BRD4 Y390A mutant BD1 (unknown origin) after 30 mins by TR-FRET assay
50002233	3	ChEMBL_1754571 (CHEMBL4189331)	Binding affinity to human partial length DNA-tagged SMARCA4 expressed in bacteria by BROMOscan method
50002233	4	ChEMBL_1754550 (CHEMBL4189310)	Binding affinity to human partial length DNA-tagged BRPF1 expressed in bacterial by BROMOscan method
50002233	5	ChEMBL_1754569 (CHEMBL4189329)	Binding affinity to human partial length DNA-tagged PCAF expressed in mammalian expression system by BROMOscan method
50002233	6	ChEMBL_1754561 (CHEMBL4189321)	Binding affinity to human partial length DNA-tagged BRPF3 expressed in bacteria by BROMOscan method
50002233	7	ChEMBL_1754528 (CHEMBL4189288)	Inhibition of human BRD2 BD1 after 30 mins by TR-FRET assay
50002233	8	ChEMBL_1754533 (CHEMBL4189293)	Inhibition of BRDT BD2 (unknown origin) after 30 mins by TR-FRET assay
50002233	9	ChEMBL_1754532 (CHEMBL4189292)	Inhibition of BRDT BD1 (unknown origin) after 30 mins by TR-FRET assay
50002233	10	ChEMBL_1754546 (CHEMBL4189306)	Binding affinity to human partial length DNA-tagged BRD3 BD1 expressed in bacterial by BROMOscan method
50002233	11	ChEMBL_1754551 (CHEMBL4189311)	Binding affinity to human partial length DNA-tagged TAF1 BD2 expressed in bacterial by BROMOscan method
50002233	12	ChEMBL_1754554 (CHEMBL4189314)	Binding affinity to human partial length DNA-tagged ATAD2B expressed in bacterial by BROMOscan method
50002233	13	ChEMBL_1754559 (CHEMBL4189319)	Binding affinity to DNA-tagged BRD8 (unknown origin) by BROMOscan method
50002233	14	ChEMBL_1754563 (CHEMBL4189323)	Binding affinity to human partial length DNA-tagged CREBBP expressed in bacteria by BROMOscan method
50002233	15	ChEMBL_1754567 (CHEMBL4189327)	Binding affinity to human partial length DNA-tagged PBRM1 BD1 expressed in bacteria by BROMOscan method
50002233	16	ChEMBL_1754530 (CHEMBL4189290)	Inhibition of BRD3 BD1 (unknown origin) after 30 mins by TR-FRET assay
50002233	17	ChEMBL_1754549 (CHEMBL4189309)	Binding affinity to human partial length DNA-tagged BRDT isoform b BD2 expressed in bacterial by BROMOscan method
50002233	18	ChEMBL_1754558 (CHEMBL4189318)	Binding affinity to human partial length DNA-tagged BRD7 expressed in mammalian expression system by BROMOscan method
50002233	19	ChEMBL_1754529 (CHEMBL4189289)	Inhibition of human BRD2 BD2 after 30 mins by TR-FRET assay
50002233	20	ChEMBL_1754531 (CHEMBL4189291)	Inhibition of BRD3 BD2 (unknown origin) after 30 mins by TR-FRET assay
50002233	21	ChEMBL_1754534 (CHEMBL4189294)	Displacement of Alexa 647 ligand from 6H-Flag-Tev-BRPF1 (622 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells after 30 mins by TR-FRET assay
50002233	22	ChEMBL_1754543 (CHEMBL4189303)	Binding affinity to human partial length DNA-tagged BRD4 isoform long BD2 expressed in bacterial by BROMOscan method
50002233	23	ChEMBL_1754545 (CHEMBL4189305)	Binding affinity to human partial length DNA-tagged BRD2 isoform 1 BD2 expressed in bacterial by BROMOscan method
50002233	24	ChEMBL_1754547 (CHEMBL4189307)	Binding affinity to human partial length DNA-tagged BRD3 BD2 expressed in bacterial by BROMOscan method
50002233	25	ChEMBL_1754552 (CHEMBL4189312)	Binding affinity to human partial length DNA-tagged WRD9 BD2 expressed in bacterial by BROMOscan method
50002233	26	ChEMBL_1754553 (CHEMBL4189313)	Binding affinity to human partial length DNA-tagged ATAD2A expressed in bacterial by BROMOscan method
50002233	27	ChEMBL_1754555 (CHEMBL4189315)	Binding affinity to human partial length DNA-tagged BAZ2A expressed in bacterial by BROMOscan method
50002233	28	ChEMBL_1754557 (CHEMBL4189317)	Binding affinity to human partial length DNA-tagged BRD1 expressed in bacterial by BROMOscan method
50002233	29	ChEMBL_1754560 (CHEMBL4189320)	Binding affinity to human partial length DNA-tagged BRD9 isoform 1 expressed in bacteria by BROMOscan method
50002233	30	ChEMBL_1754562 (CHEMBL4189322)	Binding affinity to human partial length DNA-tagged CECR2 expressed in bacteria by BROMOscan method
50002233	31	ChEMBL_1754564 (CHEMBL4189324)	Binding affinity to human partial length DNA-tagged EP300 expressed in bacteria by BROMOscan method
50002233	32	ChEMBL_1754566 (CHEMBL4189326)	Binding affinity to human partial length DNA-tagged GCN5L2 expressed in bacteria by BROMOscan method
50002233	33	ChEMBL_1754570 (CHEMBL4189330)	Binding affinity to human partial length DNA-tagged SMARCA2 expressed in bacteria by BROMOscan method
50002233	34	ChEMBL_1754572 (CHEMBL4189332)	Binding affinity to human partial length DNA-tagged TAF1L BD2 expressed in bacteria by BROMOscan method
50002233	35	ChEMBL_1754580 (CHEMBL4189340)	Binding affinity to BRD4 BD1 (unknown origin) by ITC method
50002233	36	ChEMBL_1754581 (CHEMBL4189341)	Binding affinity to human BRD3 BD2 by ITC method
50002233	37	ChEMBL_1754565 (CHEMBL4189325)	Binding affinity to human partial length DNA-tagged FALZ isoform1 expressed in bacteria by BROMOscan method
50002233	38	ChEMBL_1754573 (CHEMBL4189333)	Binding affinity to human partial length DNA-tagged TRIM24(PHD,Bromo.) expressed in bacteria by BROMOscan method
50002233	39	ChEMBL_1754542 (CHEMBL4189302)	Binding affinity to human partial length DNA-tagged BRD4 isoform long BD1 expressed in bacterial by BROMOscan method
50002233	40	ChEMBL_1754574 (CHEMBL4189334)	Binding affinity to human partial length DNA-tagged TRIM33(PHD,Bromo.) expressed in bacteria by BROMOscan method
50002233	41	ChEMBL_1754548 (CHEMBL4189308)	Binding affinity to human partial length DNA-tagged BRDT isoform b BD1 expressed in bacterial by BROMOscan method
50002233	42	ChEMBL_1754556 (CHEMBL4189316)	Binding affinity to human partial length DNA-tagged BAZ2B expressed in bacterial by BROMOscan method
50002233	43	ChEMBL_1754568 (CHEMBL4189328)	Binding affinity to human partial length DNA-tagged PBRM1 BD5 expressed in bacteria by BROMOscan method
50002233	44	ChEMBL_1754544 (CHEMBL4189304)	Binding affinity to human partial length DNA-tagged BRD2 isoform 1 BD1 expressed in bacterial by BROMOscan method
50002234	1	ChEMBL_1754719 (CHEMBL4189479)	Antagonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-induced cAMP accumulation preincubated for 1 hr followed by NECA induction measured after 5 mins in presence of [3H]cAMP and bovine cAMP-binding protein by liquid scintillation counting method
50002234	2	ChEMBL_1754725 (CHEMBL4189485)	Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes preincubated for 30 mins followed by PSB-12105 addition measured after 20 mins by flow cytometric method
50002234	3	ChEMBL_1754700 (CHEMBL4189460)	Displacement of [3H]PSB-603 from recombinant human adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation counting method
50002234	4	ChEMBL_1754703 (CHEMBL4189463)	Displacement of [3H]PSB-11 from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 45 mins by liquid scintillation counting method
50002234	5	ChEMBL_1754726 (CHEMBL4189486)	Displacement of [3H]-CHA from adenosine A1 receptor in rat cortical membranes
50002234	6	ChEMBL_1754701 (CHEMBL4189461)	Displacement of [3H]PSB-603 from recombinant rat adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation counting method
50002234	7	ChEMBL_1754698 (CHEMBL4189458)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting method
50002234	8	ChEMBL_1754697 (CHEMBL4189457)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting method
50002234	9	ChEMBL_1754696 (CHEMBL4189456)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 90 mins by liquid scintillation counting method
50002234	10	ChEMBL_1754733 (CHEMBL4189493)	Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50002234	11	ChEMBL_1754732 (CHEMBL4189492)	Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 1 hr by gamma counting method
50002234	12	ChEMBL_1754731 (CHEMBL4189491)	Displacement of [3H]CGS21680 from recombinant human adenosine A2A receptor after 1 hr by gamma counting method
50002234	13	ChEMBL_1754729 (CHEMBL4189489)	Displacement of [3H]-ADAC from adenosine A1 receptor in rat cerebral cortex membranes after 120 mins by filter binding method
50002234	14	ChEMBL_1754728 (CHEMBL4189488)	Displacement of [3H]-(R)-PIA from adenosine A3 receptor in rat testis membranes
50002234	15	ChEMBL_1754702 (CHEMBL4189462)	Displacement of [3H]PSB-603 from recombinant mouse adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation counting method
50002234	16	ChEMBL_1754724 (CHEMBL4189484)	Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes after 60 mins by flow cytometric method
50002234	17	ChEMBL_1754699 (CHEMBL4189459)	Displacement of [3H]MSX-2 from recombinant human adenosine A2A receptor expressed in HEK cell membranes after 30 mins by liquid scintillation counting method
50002234	18	ChEMBL_1754705 (CHEMBL4189465)	Displacement of [3H]PSB-11 from recombinant human adenosine A3 receptor
50002234	19	ChEMBL_1754706 (CHEMBL4189466)	Displacement of [3H]DPCPX from recombinant human adenosine A2A receptor
50002234	20	ChEMBL_1754730 (CHEMBL4189490)	Displacement of [3H]R-PIA from recombinant human adenosine A1 receptor after 60 mins by gamma counting method
50002234	21	ChEMBL_1754727 (CHEMBL4189487)	Displacement of [3H]-CHA from adenosine A2A receptor in rat striatal membranes
50002234	22	ChEMBL_1754704 (CHEMBL4189464)	Displacement of [3H]PSB-11 from recombinant human adenosine A3 receptor expressed in CHO cell membranes after 180 mins by liquid scintillation counting method
50002235	1	ChEMBL_1754738 (CHEMBL4189498)	Inhibition of MNK1/2 in human HeLa cells assessed as decrease in eIF4E phosphorylation at Ser209 after 2 hrs by AlphaScreen assay
50002235	2	ChEMBL_1754737 (CHEMBL4189497)	Inhibition of GST-tagged MNK2 (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubated for 10 mins followed by substrate and ATP addition measured after 60 mins
50002235	3	ChEMBL_1754736 (CHEMBL4189496)	Inhibition of GST-tagged MNK1 (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using JH3 peptide as substrate preincubated for 10 mins followed by substrate and ATP addition measured after 60 mins
50002235	4	ChEMBL_1754743 (CHEMBL4189503)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins by LC-MS/MS analysis
50002235	5	ChEMBL_1754744 (CHEMBL4189504)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50002236	1	ChEMBL_1754791 (CHEMBL4189551)	Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate after 60 mins by caliper assay
50002236	2	ChEMBL_1754792 (CHEMBL4189552)	Inhibition of full-length N-terminal GST-fused human PKC-alpha expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate after 60 mins by caliper assay
50002236	3	ChEMBL_1754793 (CHEMBL4189553)	Inhibition of full-length N-terminal GST-fused human PKC-epsilon expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate after 60 mins by caliper assay
50002236	4	ChEMBL_1754798 (CHEMBL4189558)	Inhibition of CYP3A4 (unknown origin)
50002236	5	ChEMBL_1754799 (CHEMBL4189559)	Inhibition of CYP2D6 (unknown origin)
50002236	6	ChEMBL_1754794 (CHEMBL4189554)	Inhibition of full-length N-terminal GST-fused human PKC-zeta expressed in baculovirus expression system using (5FAM) RFARKGSLRQKNV as substrate after 60 mins by caliper assay
50002237	1	ChEMBL_1754837 (CHEMBL4189597)	Inhibition of HIV1 NL4-3 protease assessed as decrease in viral replication in human MT2 cells after 4 days by luciferase reporter gene assay
50002238	1	ChEMBL_1754851 (CHEMBL4189611)	Inhibition of recombinant human meprin beta expressed in yeast using Abz-YVAEAPK(Dnp)G-OH as substrate by fluorescence assay
50002238	2	ChEMBL_1754852 (CHEMBL4189612)	Inhibition of recombinant human meprin alpha expressed in insect cells using Abz-YVADAPK(Dnp)G-OH as substrate by fluorescence assay
50002238	3	ChEMBL_1754877 (CHEMBL4189637)	Inhibition of recombinant human meprin beta expressed in baculovirus infected insect cells using N-benzoyl-L-tyrosyl-p-aminobenzoic acid as substrate
50002238	4	ChEMBL_1754880 (CHEMBL4189640)	Inhibition of meprin alpha (unknown origin)
50002239	1	ChEMBL_1754884 (CHEMBL4189644)	Binding affinity to recombinant N-terminal Hsp90 (unknown origin) by SPR method
50002240	1	ChEMBL_1754886 (CHEMBL4189646)	Inhibition of recombinant human BTK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	2	ChEMBL_1754930 (CHEMBL4189690)	Inhibition of recombinant human BLK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	3	ChEMBL_1754931 (CHEMBL4189691)	Inhibition of recombinant human ErbB4 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	4	ChEMBL_1754932 (CHEMBL4189692)	Inhibition of recombinant human EGFR using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	5	ChEMBL_1754887 (CHEMBL4189647)	Inhibition of recombinant full-length N-terminal His-tagged human BTK C481S mutant expressed in baculovirus infected Sf9 insect cells using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	6	ChEMBL_1754934 (CHEMBL4189694)	Inhibition of recombinant human TXK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	7	ChEMBL_1754935 (CHEMBL4189695)	Inhibition of recombinant human ITK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	8	ChEMBL_1754936 (CHEMBL4189696)	Inhibition of recombinant human RET using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	9	ChEMBL_1754937 (CHEMBL4189697)	Inhibition of recombinant human ErbB2 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	10	ChEMBL_1754938 (CHEMBL4189698)	Inhibition of recombinant human FLT3 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	11	ChEMBL_1754939 (CHEMBL4189699)	Inhibition of recombinant human BMX using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	12	ChEMBL_1754940 (CHEMBL4189700)	Inhibition of recombinant human PDGFR-beta using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	13	ChEMBL_1754941 (CHEMBL4189701)	Inhibition of recombinant human EPHA2 using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	14	ChEMBL_1754942 (CHEMBL4189702)	Inhibition of recombinant human CSF1R using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	15	ChEMBL_1754933 (CHEMBL4189693)	Inhibition of recombinant human TEC using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50002240	16	ChEMBL_1754943 (CHEMBL4189703)	Inhibition of BTK autophosphorylation at Y223 in human TMD8 cells after 4 hrs by Western blot method
50002241	1	ChEMBL_1754974 (CHEMBL4189734)	Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition measured every 10 secs for 15 mins by fluorometric assay
50002241	2	ChEMBL_1754973 (CHEMBL4189733)	Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition measured every 10 secs for 15 mins by fluorometric assay
50002241	3	ChEMBL_1754975 (CHEMBL4189735)	Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition measured every 10 secs for 15 mins by fluorometric assay
50002241	4	ChEMBL_1754977 (CHEMBL4189737)	Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition measured every 10 secs for 15 mins by fluorometric assay
50002241	5	ChEMBL_1754976 (CHEMBL4189736)	Inhibition of recombinant human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition measured every 10 secs for 15 mins by fluorometric assay
50002243	1	ChEMBL_1754989 (CHEMBL4189749)	Displacement of fluormone from human full length VDR after 2 hrs by fluorescence polarization assay
50002243	2	ChEMBL_1754996 (CHEMBL4189756)	Agonist activity at VDR in human MCF7 cells assessed as increase in transcription of CYP24A1 gene after 24 hrs by luciferase reporter gene assay
50002244	1	ChEMBL_1755017 (CHEMBL4189777)	Displacement of fluorescein-labeled MLL4-43 from full length human menin expressed in Escherichia coli BL21 (DE3) cells after 3 hrs by fluorescence polarization assay
50002244	2	ChEMBL_1755021 (CHEMBL4189781)	Binding affinity to human C-terminal Avi-tagged menin expressed in Escherichia coli BL21 (DE3) cells by bio-layer interferometry
50002245	1	ChEMBL_1755043 (CHEMBL4189803)	Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence polarization assay
50002245	2	ChEMBL_1755044 (CHEMBL4189804)	Binding affinity to biotinylated HDAC6 ZnF-UBD (unknown origin) by surface plasmon resonance method
50002245	3	ChEMBL_1755045 (CHEMBL4189805)	Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged full length HDAC6 (unknown origin) expressed in Sf9 insect cells after 10 mins by fluorescence polarization assay
50002246	1	ChEMBL_1755048 (CHEMBL4189808)	Binding affinity to EBOV Mayinga, Zaire, 1976 envelope glycoprotein extracellular domain H613A mutant tagged with His/foldon trimerization sequence from the bacteriophage T4 fibritin at C terminal expressed in HEK293T cells at pH 5.2 by SYPRO orange dye-based fluorescence assay
50002246	2	ChEMBL_1755049 (CHEMBL4189809)	Binding affinity to EBOV Mayinga, Zaire, 1976 envelope glycoprotein extracellular domain T42A mutant tagged with 6xHis/foldon trimerization sequence from the bacteriophage T4 fibritin at C terminal expressed in HEK293T cells at pH 5.2 by SYPRO orange dye-based fluorescence assay
50002247	1	ChEMBL_1755053 (CHEMBL4189813)	Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity assay
50002247	2	ChEMBL_1755055 (CHEMBL4189815)	Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence method
50002247	3	ChEMBL_1755057 (CHEMBL4189817)	Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence method
50002248	1	ChEMBL_1755075 (CHEMBL4189835)	Inhibition of recombinant human carbonic anhydrase-4 incubated for 15 mins by stopped-flow CO2 hydrase assay
50002248	2	ChEMBL_1755076 (CHEMBL4189836)	Inhibition of recombinant human carbonic anhydrase-9 catalytic domain incubated for 15 mins by stopped-flow CO2 hydrase assay
50002248	3	ChEMBL_1755077 (CHEMBL4189837)	Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydrase assay
50002248	4	ChEMBL_1755073 (CHEMBL4189833)	Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydrase assay
50002248	5	ChEMBL_1755074 (CHEMBL4189834)	Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydrase assay
50002249	1	ChEMBL_1755116 (CHEMBL4189876)	Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method
50002249	2	ChEMBL_1755117 (CHEMBL4189877)	Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method
50002249	3	ChEMBL_1755126 (CHEMBL4189886)	Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method
50002250	1	ChEMBL_1755144 (CHEMBL4189904)	Binding affinity to DNA-tagged human partial length AURKA expressed in mammalian expression system by qPCR method
50002250	2	ChEMBL_1755143 (CHEMBL4189903)	Binding affinity to DNA-tagged human partial length TrkA expressed in mammalian expression system by qPCR method
50002250	3	ChEMBL_1755145 (CHEMBL4189905)	Antagonist activity at C-terminal PK-fused human full length TrkA assessed as inhibition of betaNGF-induced protein binding to Shc1-EA by beta-galactosidase reporter assay
50002251	1	ChEMBL_1755178 (CHEMBL4189938)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins in presence of NADPH-regeneration system by LC-MS/MS method
50002251	2	ChEMBL_1755159 (CHEMBL4189919)	Agonist activity at recombinant human 5-HT4E receptor expressed in CHO cells assessed as induction of c-AMP accumulation after 4 hrs by luciferase reporter assay
50002251	3	ChEMBL_1755177 (CHEMBL4189937)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins in presence of NADPH-regeneration system by LC-MS/MS method
50002251	4	ChEMBL_1755183 (CHEMBL4189943)	Agonist activity at recombinant human 5-HT4D receptor expressed in CHO cells assessed as induction of c-AMP accumulation after 4 hrs by luciferase reporter assay
50002251	5	ChEMBL_1755184 (CHEMBL4189944)	Agonist activity at recombinant rat 5-HT4L receptor expressed in CHO cells assessed as induction of c-AMP accumulation after 4 hrs by luciferase reporter assay
50002251	6	ChEMBL_1755185 (CHEMBL4189945)	Inhibition of human ERG expressed in HEK293 cells by patch clamp method
50002251	7	ChEMBL_1755189 (CHEMBL4189949)	Agonist activity at 5-HT4E receptor (unknown origin)
50002252	1	ChEMBL_1755191 (CHEMBL4189951)	Displacement of MRS4174 from human P2Y14R expressed in CHO cells preincubated for 30 mins followed by MRS4174 addition measured after 30 mins by flow cytometric method
50002252	2	ChEMBL_1755210 (CHEMBL4189970)	Displacement of [3H]-CGP12177 from human adrenergic beta-3 receptor expressed in HEK Flp-In cell membranes after 90 mins by scintillation counting method
50002252	3	ChEMBL_1755194 (CHEMBL4189954)	Displacement of [3H]-Way100635 from human 5-HT1A receptor expressed in CHO cell membranes after 90 mins by scintillation counting method
50002252	4	ChEMBL_1755198 (CHEMBL4189958)	Displacement of [3H]-Prazosin from human adrenergic alpha1D receptor after 90 mins by scintillation counting method
50002252	5	ChEMBL_1755206 (CHEMBL4189966)	Displacement of [3H]-DTG from human sigma2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	6	ChEMBL_1755230 (CHEMBL4189990)	Antagonist activity at P2Y14R in rat C6 cells assessed as suppression of UDP-glucose-mediated inhibition of forskolin-stimulated [3H]cyclic-AMP accumulation after 15 mins in presence of [3H]-adenine
50002252	7	ChEMBL_1755192 (CHEMBL4189952)	Displacement of [3H]-DADLE from human delta opioid receptor expressed in HEK293 cells after 90 mins by scintillation counting method
50002252	8	ChEMBL_1755196 (CHEMBL4189956)	Displacement of [3H]-Prazosin from human adrenergic alpha1A receptor after 90 mins by scintillation counting method
50002252	9	ChEMBL_1755197 (CHEMBL4189957)	Displacement of [3H]-Prazosin from human adrenergic alpha1B receptor after 90 mins by scintillation counting method
50002252	10	ChEMBL_1755201 (CHEMBL4189961)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	11	ChEMBL_1755202 (CHEMBL4189962)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	12	ChEMBL_1755203 (CHEMBL4189963)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	13	ChEMBL_1755205 (CHEMBL4189965)	Displacement of [125I]-Iodoaminopotentidine from human histamine H2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	14	ChEMBL_1755193 (CHEMBL4189953)	Displacement of [3H]-Nisoxetine from human NET expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50002252	15	ChEMBL_1755208 (CHEMBL4189968)	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50002252	16	ChEMBL_1755209 (CHEMBL4189969)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50002252	17	ChEMBL_1755212 (CHEMBL4189972)	Displacement of [3H]-U69593 from human KOR expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50002252	18	ChEMBL_1755213 (CHEMBL4189973)	Displacement of [3H]-PK11195 from rat brain TSPO after 90 mins by scintillation counting method
50002252	19	ChEMBL_1755207 (CHEMBL4189967)	Displacement of [3H]-WIN35428 from human DAT after 90 mins by scintillation counting method
50002252	20	ChEMBL_1755200 (CHEMBL4189960)	Displacement of [3H]Rauwolscine from human adrenergic alpha2B receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	21	ChEMBL_1755195 (CHEMBL4189955)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	22	ChEMBL_1755199 (CHEMBL4189959)	Displacement of [3H]Rauwolscine from human adrenergic alpha2A receptor expressed in MDCK cell membranes after 90 mins by scintillation counting method
50002252	23	ChEMBL_1755204 (CHEMBL4189964)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes after 90 mins by scintillation counting method
50002252	24	ChEMBL_1755211 (CHEMBL4189971)	Displacement of [3H]-alpha-methylhistamine from human histamine H3 receptor expressed in HEK Flp-In cell membranes after 90 mins by scintillation counting method
50002252	25	ChEMBL_1755229 (CHEMBL4189989)	Inhibition of human ERG
50002252	26	ChEMBL_1755214 (CHEMBL4189974)	Displacement of [3H]-Citalopram from human SERT expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50002253	1	ChEMBL_1755232 (CHEMBL4189992)	Inhibition of ALDH1A1 in human MIAPaCa2 cells after 30 mins by aldefluor assay
50002253	2	ChEMBL_1755231 (CHEMBL4189991)	Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured for 30 mins by fluorescence assay
50002253	3	ChEMBL_1755238 (CHEMBL4189998)	Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature at 70 degC after 1 hr by CETSA
50002253	4	ChEMBL_1755242 (CHEMBL4190002)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of 100 nM paclitaxel-mediated cytotoxicity after 4 days by CellTiter-Glo assay
50002253	5	ChEMBL_1755237 (CHEMBL4189997)	Stabilization of ALDH1A1 in human OV90 cells assessed as increase in melting temperature after 1 hr by CETSA
50002253	6	ChEMBL_1755247 (CHEMBL4190007)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 20 uM after 4 days by CellTiter-Glo assay (Rvb = 1202 nM)
50002253	7	ChEMBL_1755290 (CHEMBL4190050)	Inhibition of human CYP2D6
50002253	8	ChEMBL_1755234 (CHEMBL4189994)	Inhibition of human ALDH1A3 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured for 30 mins by fluorescence assay
50002253	9	ChEMBL_1755235 (CHEMBL4189995)	Inhibition of human ALDH2 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured for 30 mins by fluorescence assay
50002253	10	ChEMBL_1755244 (CHEMBL4190004)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 1 uM after 4 days by CellTiter-Glo assay (Rvb = 1202 nM)
50002253	11	ChEMBL_1755245 (CHEMBL4190005)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 3 uM after 4 days by CellTiter-Glo assay (Rvb = 1202 nM)
50002253	12	ChEMBL_1755246 (CHEMBL4190006)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 10 uM after 4 days by CellTiter-Glo assay (Rvb = 1202 nM)
50002253	13	ChEMBL_1755248 (CHEMBL4190008)	Inhibition of ALDH1A1 in human SKOV3TR cells assessed as potentiation of paclitaxel-mediated cytotoxicity by measuring paclitaxel IC50 at 30 uM after 4 days by CellTiter-Glo assay (Rvb = 1202 nM)
50002253	14	ChEMBL_1755288 (CHEMBL4190048)	Inhibition of human CYP3A4 using midazolam as substrate
50002253	15	ChEMBL_1755289 (CHEMBL4190049)	Inhibition of human CYP2C9
50002253	16	ChEMBL_1755295 (CHEMBL4190055)	Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21 cells using acetyladehyde as substrate preincubated for 5 mins followed by substrate addition measured every 40 secs for 4 mins
50002253	17	ChEMBL_1755296 (CHEMBL4190056)	Inhibition of human ALDH1A1 using NAD+/propionaldehyde as substrate/cofactor preincubated for 15 mins followed by substrate/cofactor addition measured for 20 mins by fluorescence assay
50002253	18	ChEMBL_1755298 (CHEMBL4190058)	Inhibition of human ALDH1A1 using all-trans-retinal as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by fluorescence assay
50002253	19	ChEMBL_1755299 (CHEMBL4190059)	Inhibition of human ALDH1A1 using NAD+ as cofactor and varied concentration of propionaldehyde as substrate preincubated for 15 mins followed by substrate addition measured for 30 mins by fluorescence assay
50002253	20	ChEMBL_1755300 (CHEMBL4190060)	Inhibition of human ALDH1A1 using propionaldehyde as substrate and varied concentration of NAD+ as cofactor preincubated for 15 mins followed by substrate addition measured for 30 mins by fluorescence assay
50002253	21	ChEMBL_1755294 (CHEMBL4190054)	Inhibition of human ERG
50002255	1	ChEMBL_1755336 (CHEMBL4190096)	Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR method
50002256	1	ChEMBL_1755344 (CHEMBL4190104)	Inhibition of full length human N-terminal MAHHHHHH-tagged ERK2 expressed in Escherichia coli BL21 (DE3) using ATF2-GFP as substrate after 30 mins by time-resolved fluorescence assay
50002256	2	ChEMBL_1755360 (CHEMBL4190120)	Inhibition of ERK1/2 in human A375 cells harboring BRAF V600E mutant assessed as suppression of RSK phosphorylation after 4 hrs by MSD assay
50002256	3	ChEMBL_1755367 (CHEMBL4190127)	Inhibition of ERK1/2 phosphorylation in human A375 cells harboring BRAF V600E mutant after 4 hrs by ELISA
50002257	1	ChEMBL_1755377 (CHEMBL4190137)	Inhibition of C-terminal His-tagged recombinant human CYP21A2deltaH mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of cytochrome p450 reductase by LC-MS/MS method
50002257	2	ChEMBL_1755376 (CHEMBL4190136)	Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli DH5alpha assessed as decrease in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of cytochrome p450 reductase by LC-MS/MS method
50002257	3	ChEMBL_1755379 (CHEMBL4190139)	Inhibition of C-terminal His-tagged recombinant human CYP3A4 assessed as decrease in metabolism of luciferin isopropyl alcohol preincubated for 3 mins followed by NADPH addition measured after 30 mins
50002257	4	ChEMBL_1755382 (CHEMBL4190142)	Inhibition of C-terminal His-tagged recombinant human CYP17A1delta19H mutant expressed in Escherichia coli JM109 cells assessed as decrease in progesterone hydroxylation in presence of cytochrome P450 reductase by HPLC-UV method
50002260	1	ChEMBL_1755828 (CHEMBL4190836)	Inhibition of BTK (unknown origin)
50002260	2	ChEMBL_1755827 (CHEMBL4190835)	Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ATRIP
50002260	3	ChEMBL_1755829 (CHEMBL4190837)	Inhibition of PI3Kdelta (unknown origin)
50002261	1	ChEMBL_1756340 (CHEMBL4191348)	Inhibition of HDAC1 (unknown origin) using H3(1 to 21)K9 after 60 mins by fluorescence assay
50002262	1	ChEMBL_1756382 (CHEMBL4191390)	Inhibition of soluble epoxide hydrolase (unknown origin) using PHOME as substrate measured for 1 hr by fluorescence assay
50002263	1	ChEMBL_1756637 (CHEMBL4191645)	Inhibition of recombinant His6-tagged human USP7 expressed in insect expression system using ubiquitin-Rh110 as substrate preincubated for 30 mins followed by substrate addition measured after 180 mins by fluorescence assay
50002264	1	ChEMBL_1756640 (CHEMBL4191648)	Binding affinity to RGS17 (unknown origin) by ITC method
50002264	2	ChEMBL_1756639 (CHEMBL4191647)	Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assay
50002264	3	ChEMBL_1756642 (CHEMBL4191650)	Inhibition of wild type GST-tagged RGS17 (unknown origin) interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assay
50002264	4	ChEMBL_1756644 (CHEMBL4191652)	Inhibition of RGS17 (unknown origin) C117A mutant interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assay
50002265	1	ChEMBL_1756690 (CHEMBL4191698)	Inhibition of Plasmodium falciparum leucine aminopeptidase
50002266	1	ChEMBL_1756903 (CHEMBL4191911)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 1 min by Ellman's method
50002267	1	ChEMBL_1756912 (CHEMBL4191920)	Inhibition of IFNgamma-induced IDO1 in human HeLa cells using L-tryptophan as substrate after 24 hrs
50002267	2	ChEMBL_1756924 (CHEMBL4191932)	Inhibition of IDO1 (unknown origin)
50002269	1	ChEMBL_1756926 (CHEMBL4191934)	Agonist activity at GAL4-fused PPARalpha LBD (unknown origin) expressed in HEK293 cells assessed as receptor transactivation after 18 hrs by dual luciferase reporter gene assay
50002269	2	ChEMBL_1756927 (CHEMBL4191935)	Agonist activity at GAL4-fused PPARgamma LBD (unknown origin) expressed in HEK293 cells assessed as receptor transactivation after 18 hrs by dual luciferase reporter gene assay
50002270	1	ChEMBL_1756993 (CHEMBL4192001)	Inhibition of human MDR1 ATPase activity expressed in baculovirus infected insect cells preincubated for 30 mins followed by ATP addition measured after 20 mins by colorimetric method
50002270	2	ChEMBL_1757001 (CHEMBL4192009)	Inhibition of BCRP (unknown origin)
50002270	3	ChEMBL_1757005 (CHEMBL4192013)	Inhibition of human MDR1 expressed in pig LLC-PK1 cells assessed as reduction in [3H]vinblastine efflux after 1 hr by scintillation counting method
50002270	4	ChEMBL_1756961 (CHEMBL4191969)	Inhibition of [125I]IAAP labeling to human MDR1 expressed in baculovirus infected insect cell membranes by electrophoresis method
50002270	5	ChEMBL_1757006 (CHEMBL4192014)	Inhibition of human MDR1 expressed in pig LLC-PK1 cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition by fluorescence assay
50002270	6	ChEMBL_1757027 (CHEMBL4192035)	Displacement of 8-azido[alpha-32P]ATP from human MDR1 expressed in baculovirus infected insect cell membranes by phosphorimaging method
50002271	1	ChEMBL_1757125 (CHEMBL4192133)	Inhibition of p300 (unknown origin) using H3 peptide and acetyl-coA as substrate by fluorometric assay
50002271	2	ChEMBL_1757121 (CHEMBL4192129)	Inhibition of VMA intein chitin binding domain-fused p300 HAT domain (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 using H4-15 and acetyl-coA as substrate preincubated for 10 mins followed by substrate addition in presence of NAD by alpha-ketoglutarate dehydrogenase enzyme coupled spectrophotometric assay
50002273	1	ChEMBL_1757170 (CHEMBL4192178)	Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate after 1 hr by alexaFluor-ADP-based FRET assay
50002273	2	ChEMBL_1757171 (CHEMBL4192179)	Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate after 1 hr by alexaFluor-ADP-based FRET assay
50002274	1	ChEMBL_1757253 (CHEMBL4192261)	Inhibition of recombinant human full length His-tagged CDK1/cyclin B expressed in baculovirus expression system after 60 mins in presence of omnia peptide substrate by fluorescence based assay
50002275	1	ChEMBL_1757257 (CHEMBL4192265)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by Ellman's method
50002275	2	ChEMBL_1757258 (CHEMBL4192266)	Inhibition of equine serum BCHE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by Ellman's method
50002276	1	ChEMBL_1757270 (CHEMBL4192278)	Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in HBe antigen secretion after 14 days by ELISA
50002277	1	ChEMBL_1757323 (CHEMBL4192331)	Inhibition of recombinant human His-tagged GSK3beta using GS-2 peptide as substrate in presence of [33P]gamma-ATP after 15 mins by microbeta counting method
50002277	2	ChEMBL_1757324 (CHEMBL4192332)	Inhibition of recombinant human His-tagged AK using [2,8-3H]-adenosine as substrate after 20 mins by microbeta counting method
50002277	3	ChEMBL_1757321 (CHEMBL4192329)	Inhibition of human AK
50002277	4	ChEMBL_1757343 (CHEMBL4192351)	Non-competitive inhibition of recombinant human His-tagged GSK3beta using GS-2 peptide as substrate in presence of [33P]gamma-ATP after 15 mins by microbeta counting method
50002278	1	ChEMBL_1757348 (CHEMBL4192356)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium flux by Fluo 4AM dye-based FLIPR assay
50002279	1	ChEMBL_1757382 (CHEMBL4192390)	Inhibition of human liver LDH5 using pyruvate as substrate and NADH as cofactor measured after 15 mins by fluorescence assay
50002280	1	ChEMBL_1757443 (CHEMBL4192451)	Inhibition of Mycobacterium tuberculosis PTPB
50002280	2	ChEMBL_1757436 (CHEMBL4192444)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50002281	1	ChEMBL_1757450 (CHEMBL4192458)	Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured after 20 mins by visible absorption spectroscopic method
50002281	2	ChEMBL_1757464 (CHEMBL4192472)	Inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition measured after 30 mins by fluorescence spectroscopic method
50002281	3	ChEMBL_1757467 (CHEMBL4192475)	Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured after 20 mins by visible absorption spectroscopic method
50002281	4	ChEMBL_1757465 (CHEMBL4192473)	Inhibition of human lysosomal alpha-galactosidase A using 4-methylumbelliferyl-alpha-D-galactopyranoside as substrate preincubated for 45 mins followed by substrate addition measured after 30 mins by fluorescence spectroscopic method
50002282	1	ChEMBL_1757473 (CHEMBL4192481)	Antiglycation activity in bovine serum albumin assessed as inhibition of advanced glycated end product formation in presence of D-glucose by spectrofluorimetric analysis
50002283	1	ChEMBL_1757482 (CHEMBL4192490)	Inhibition of AKT1 (unknown origin) using biotinylated-STK as substrate after 45 mins by HTRF assay
50002284	1	ChEMBL_1757530 (CHEMBL4192538)	Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method
50002284	2	ChEMBL_1757529 (CHEMBL4192537)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes after 120 mins by microbeta scintillation counting method
50002285	1	ChEMBL_1757657 (CHEMBL4192665)	Antagonist activity at His6-tagged NK1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of substance-P-induced IP1 accumulation preincubated for 10 mins followed by substance-P addition measured after 30 mins by HTRF-FRET assay
50002285	2	ChEMBL_1757658 (CHEMBL4192666)	Partial agonist activity at His6-tagged NK1 receptor (unknown origin) expressed in CHO cells assessed as IP1 accumulation measured after 30 mins by HTRF-FRET assay
50002286	1	ChEMBL_1757697 (CHEMBL4192705)	Inhibition of recombinant human C-terminal His-tagged EGFR (1 to 645 residues) expressed in HEK293 cells by ELISA
50002287	1	ChEMBL_1757718 (CHEMBL4192726)	Agonist activity at human kappa-type opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence-based assay
50002288	1	ChEMBL_1757736 (CHEMBL4192744)	Inhibition of recombinant human CDK expressed in baculovirus infected sf9 cells after 10 mins by SDS-PAGE based autoradiography
50002289	1	ChEMBL_1757752 (CHEMBL4192760)	Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based fluorescence assay
50002289	2	ChEMBL_1757753 (CHEMBL4192761)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based fluorescence assay
50002289	3	ChEMBL_1757770 (CHEMBL4192778)	Inhibition of MAO-B (unknown origin)
50002289	4	ChEMBL_1757769 (CHEMBL4192777)	Inhibition of MAO-A (unknown origin)
50002290	1	ChEMBL_1757773 (CHEMBL4192781)	Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate after 90 mins by FRET assay
50002290	2	ChEMBL_1757774 (CHEMBL4192782)	Inhibition of BACE1 (unknown origin)
50002291	1	ChEMBL_1757775 (CHEMBL4192783)	Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method
50002291	2	ChEMBL_1757778 (CHEMBL4192786)	Inhibition of BACE1 (unknown origin)
50002292	1	ChEMBL_1757788 (CHEMBL4192796)	Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot analysis
50002292	2	ChEMBL_1757798 (CHEMBL4192806)	Inhibition of human AChE
50002292	3	ChEMBL_1757789 (CHEMBL4192797)	Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot analysis
50002292	4	ChEMBL_1757786 (CHEMBL4192794)	Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002292	5	ChEMBL_1757783 (CHEMBL4192791)	Mixed-type inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002292	6	ChEMBL_1757784 (CHEMBL4192792)	Uncompetitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002292	7	ChEMBL_1757792 (CHEMBL4192800)	Competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot analysis
50002292	8	ChEMBL_1757795 (CHEMBL4192803)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by Ellman's method
50002292	9	ChEMBL_1757796 (CHEMBL4192804)	Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50002292	10	ChEMBL_1757791 (CHEMBL4192799)	Non-competitive inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot analysis
50002292	11	ChEMBL_1757790 (CHEMBL4192798)	Non-competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot analysis
50002292	12	ChEMBL_1757787 (CHEMBL4192795)	Competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002292	13	ChEMBL_1757785 (CHEMBL4192793)	Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002292	14	ChEMBL_1757782 (CHEMBL4192790)	Mixed-type inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50002293	1	ChEMBL_1757900 (CHEMBL4192908)	Displacement of [3H]AMPA from rat GluA3 receptor flip isoform expressed in sf9 insect cell membranes by TopCount method
50002293	2	ChEMBL_1757899 (CHEMBL4192907)	Displacement of [3H]AMPA from rat GluA2(R) receptor flip isoform expressed in sf9 insect cell membranes by TopCount method
50002293	3	ChEMBL_1757902 (CHEMBL4192910)	Displacement of [3H]AMPA from rat GluA2(Q) receptor flop isoform by TopCount method
50002294	1	ChEMBL_1757988 (CHEMBL4192996)	Displacement of [3H]-LSD from human 5-HT5A receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting analysis
50002294	2	ChEMBL_1757989 (CHEMBL4192997)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis
50002294	3	ChEMBL_1757990 (CHEMBL4192998)	Displacement of [3H]-LSD from human 5-HT7A receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis
50002294	4	ChEMBL_1757991 (CHEMBL4192999)	Displacement of [3H]-LSD from human 5-HT1B receptor expressed in baculovirus infected Sf9 cells
50002294	5	ChEMBL_1757993 (CHEMBL4193001)	Binding affinity to 5-HT1D receptor (unknown origin) by radioligand binding assay
50002294	6	ChEMBL_1757994 (CHEMBL4193002)	Binding affinity to 5-HT1E receptor (unknown origin) by radioligand binding assay
50002294	7	ChEMBL_1757995 (CHEMBL4193003)	Binding affinity to 5-HT2A receptor (unknown origin) by radioligand binding assay
50002294	8	ChEMBL_1757985 (CHEMBL4192993)	Displacement of [3H]Ketanserin from 5-HT2A (unknown origin) receptor after 90 mins by microbeta scintillation counting analysis
50002294	9	ChEMBL_1757998 (CHEMBL4193006)	Binding affinity to 5-HT5A receptor (unknown origin) by radioligand binding assay
50002294	10	ChEMBL_1757999 (CHEMBL4193007)	Binding affinity to 5-HT6 receptor (unknown origin) by radioligand binding assay
50002294	11	ChEMBL_1758001 (CHEMBL4193009)	Antagonist activity at 5-HT2A receptor (unknown origin) by calcium release assay
50002294	12	ChEMBL_1758006 (CHEMBL4193014)	Antagonist activity at 5-HT1B receptor (unknown origin) by Tango assay
50002294	13	ChEMBL_1757983 (CHEMBL4192991)	Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting analysis
50002294	14	ChEMBL_1757984 (CHEMBL4192992)	Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis
50002294	15	ChEMBL_1757981 (CHEMBL4192989)	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis
50002294	16	ChEMBL_1757986 (CHEMBL4192994)	Displacement of [3H]-Mesulergine from human 5-HT2C receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting analysis
50002294	17	ChEMBL_1757987 (CHEMBL4192995)	Displacement of [3H]-GR65630 from human 5-HT3 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting analysis
50002294	18	ChEMBL_1758005 (CHEMBL4193013)	Antagonist activity at 5-HT1A receptor (unknown origin) by Tango assay
50002294	19	ChEMBL_1757982 (CHEMBL4192990)	Displacement of [3H]5-CT from human 5-HT1B receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis
50002294	20	ChEMBL_1757992 (CHEMBL4193000)	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in baculovirus infected Sf9 cells
50002294	21	ChEMBL_1757996 (CHEMBL4193004)	Binding affinity to 5-HT2C receptor (unknown origin) by radioligand binding assay
50002294	22	ChEMBL_1757997 (CHEMBL4193005)	Binding affinity to 5-HT3 receptor (unknown origin) by radioligand binding assay
50002294	23	ChEMBL_1758000 (CHEMBL4193008)	Binding affinity to 5-HT7A receptor (unknown origin) by radioligand binding assay
50002294	24	ChEMBL_1758002 (CHEMBL4193010)	Antagonist activity at 5-HT2B receptor (unknown origin) by calcium release assay
50002294	25	ChEMBL_1758004 (CHEMBL4193012)	Antagonist activity at 5-HT7A receptor (unknown origin) by Tango assay
50002294	26	ChEMBL_1758007 (CHEMBL4193015)	Antagonist activity at 5-HT4 receptor (unknown origin) by Tango assay
50002294	27	ChEMBL_1758008 (CHEMBL4193016)	Antagonist activity at 5-HT1D receptor (unknown origin) by Tango assay
50002294	28	ChEMBL_1758021 (CHEMBL4193029)	Partial agonist activity at 5-HT1B receptor (unknown origin) by Tango assay
50002294	29	ChEMBL_1758003 (CHEMBL4193011)	Antagonist activity at 5-HT2C receptor (unknown origin) by calcium release assay
50002295	1	ChEMBL_1758038 (CHEMBL4193046)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl glycoside as substrate treated 20 mins post substrate addition measured for 1 min by spectrophotometric analysis
50002296	1	ChEMBL_1758066 (CHEMBL4193074)	Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay
50002296	2	ChEMBL_1758067 (CHEMBL4193075)	Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay
50002297	1	ChEMBL_1758087 (CHEMBL4193095)	Inhibition of recombinant human MMP3 (Tyr18 to Cys477 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50002297	2	ChEMBL_1758088 (CHEMBL4193096)	Inhibition of recombinant human MMP8 (Phe21 to Gly467 residues) expressed in mouse myeloma cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50002297	3	ChEMBL_1758089 (CHEMBL4193097)	Inhibition of recombinant human MMP9 (Ala20 to Asp707 residues) expressed in CHO cells using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50002298	1	ChEMBL_1758279 (CHEMBL4193287)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN5B1-4 cells using p-tyramine as substrate assessed as reduction in H2O2 production preincubated for 15 mins followed by substrate addition measured after 15 mins by Amplex red dye based fluorescence assay
50002298	2	ChEMBL_1758278 (CHEMBL4193286)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN5B1-4 cells using p-tyramine as substrate assessed as reduction in H2O2 production preincubated for 15 mins followed by substrate addition measured after 15 mins by Amplex red dye based fluorescence assay
50002299	1	ChEMBL_1758286 (CHEMBL4193294)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50002299	2	ChEMBL_1758287 (CHEMBL4193295)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50002299	3	ChEMBL_1758292 (CHEMBL4193300)	Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method
50002299	4	ChEMBL_1758305 (CHEMBL4193313)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50002299	5	ChEMBL_1758291 (CHEMBL4193299)	Inhibition of recombinant human MAOA using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method
50002299	6	ChEMBL_1758306 (CHEMBL4193314)	Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs by Ellman's method
50002300	1	ChEMBL_1758311 (CHEMBL4193319)	Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPTLC analysis
50002300	2	ChEMBL_1758312 (CHEMBL4193320)	Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate after 30 mins by HPTLC analysis
50002301	1	ChEMBL_1758331 (CHEMBL4193339)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintillation counting method
50002301	2	ChEMBL_1758332 (CHEMBL4193340)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintillation counting method
50002301	3	ChEMBL_1758333 (CHEMBL4193341)	Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintillation counting method
50002302	1	ChEMBL_1758339 (CHEMBL4193347)	Activation of recombinant human liver glucokinase 2 assessed as reduction in NADH production in presence of 5 mM glucose by G6PDH coupled assay
50002302	2	ChEMBL_1758345 (CHEMBL4193353)	Activation of recombinant human liver glucokinase 2 assessed as assessed as reduction in Km for glucose in presence of 5 mM glucose by G6PDH coupled assay
50002303	1	ChEMBL_1758360 (CHEMBL4193368)	Competitive inhibition of human O-GlcNAcase by Lineweaver-Burk analysis
50002303	2	ChEMBL_1758363 (CHEMBL4193371)	Competitive inhibition of human O-GlcNAcase using 4-Np-GlcNAc as substrate after 5 mins by Dixon plot analysis
50002303	3	ChEMBL_1758359 (CHEMBL4193367)	Competitive inhibition of human O-GlcNAcase using 4-Np-GlcNAc as substrate after 30 mins
50002304	1	ChEMBL_1758423 (CHEMBL4193431)	Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli using peptide substrate by fluorescence analysis
50002305	1	ChEMBL_1758440 (CHEMBL4193448)	Inhibition of human serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180 secs by spectrophotometric analysis
50002305	2	ChEMBL_1758434 (CHEMBL4193442)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180 secs by spectrophotometric analysis
50002305	3	ChEMBL_1758435 (CHEMBL4193443)	Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180 secs by spectrophotometric analysis
50002305	4	ChEMBL_1758439 (CHEMBL4193447)	Inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180 secs by spectrophotometric analysis
50002306	1	ChEMBL_1758528 (CHEMBL4193536)	Inhibition of N-terminal His6-tagged recombinant full-length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate by HTRF colorimetric assay
50002306	2	ChEMBL_1758516 (CHEMBL4193524)	Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate by HTRF colorimetric assay
50002306	3	ChEMBL_1758527 (CHEMBL4193535)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by HTRF colorimetric assay
50002306	4	ChEMBL_1758529 (CHEMBL4193537)	Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay
50002307	1	ChEMBL_1758531 (CHEMBL4193539)	Inhibition of rat acid ceramidase expressed in HEK293 cells using N-lauroylceramide as substrate after 30 mins by LC-MS analysis
50002307	2	ChEMBL_1758530 (CHEMBL4193538)	Inhibition of rat NAAA expressed in HEK293 cells using heptadecenoylethanolamide as substrate after 30 mins by HPLC-MS/MS analysis
50002309	1	ChEMBL_1758545 (CHEMBL4193553)	Competitive inhibition of electric eel AChE assessed as inhibition constant for enzyme-substrate-inhibitor complex preincubated for 20 mins followed by acetylthiocholine iodide substrate addition and measured for 30 mins at 1 min intervals by Ellman's method
50002309	2	ChEMBL_1758544 (CHEMBL4193552)	Competitive inhibition of electric eel AChE assessed as inhibition constant for enzyme inhibitor complex preincubated for 20 mins followed by acetylthiocholine iodide substrate addition and measured for 30 mins at 1 min intervals by Ellman's method
50002310	1	ChEMBL_1758559 (CHEMBL4193567)	Inhibition of human Kv1.1 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	2	ChEMBL_1758560 (CHEMBL4193568)	Inhibition of human Kv1.2 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	3	ChEMBL_1758561 (CHEMBL4193569)	Inhibition of human Kv1.3 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	4	ChEMBL_1758562 (CHEMBL4193570)	Inhibition of human Kv1.4 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	5	ChEMBL_1758563 (CHEMBL4193571)	Inhibition of human Kv1.5 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	6	ChEMBL_1758565 (CHEMBL4193573)	Inhibition of rat Kv1.3 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay
50002310	7	ChEMBL_1758564 (CHEMBL4193572)	Inhibition of human Kv1.6 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method
50002310	8	ChEMBL_1758566 (CHEMBL4193574)	Inhibition of rat Kv1.4 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay
50002310	9	ChEMBL_1758567 (CHEMBL4193575)	Inhibition of rat Kv1.6 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay
50002311	1	ChEMBL_1758583 (CHEMBL4193591)	Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
50002311	2	ChEMBL_1758580 (CHEMBL4193588)	Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50002311	3	ChEMBL_1758581 (CHEMBL4193589)	Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50002311	4	ChEMBL_1758582 (CHEMBL4193590)	Inhibition of human transmembrane carbonic anhydrase 4 by stopped-flow CO2 hydrase assay
50002312	1	ChEMBL_1758634 (CHEMBL4193642)	Inhibition of human CDC25A using OMFP as substrate after 15 mins by fluorescence assay
50002312	2	ChEMBL_1758635 (CHEMBL4193643)	Inhibition of human CDC25B using OMFP as substrate after 15 mins by fluorescence assay
50002313	1	ChEMBL_1758636 (CHEMBL4193644)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mins by Ellman's method
50002313	2	ChEMBL_1758637 (CHEMBL4193645)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mins by Ellman's method
50002313	3	ChEMBL_1758639 (CHEMBL4193647)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mins by Lineweaver-Burk plot analysis
50002314	1	ChEMBL_1758655 (CHEMBL4193663)	Inhibition of equine serum BChE using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured every 2 mins for 20 mins by Ellman's method
50002314	2	ChEMBL_1758654 (CHEMBL4193662)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured every 2 mins for 20 mins by Ellman's method
50002315	1	ChEMBL_1758664 (CHEMBL4193672)	Estrogenic activity at estrogen receptor alpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-Nitrophenol phosphate as substrate pretreated for 96 hrs followed by substrate addition measured every 15 secs by scanning spectrophotometric analysis
50002316	1	ChEMBL_1758691 (CHEMBL4193699)	Inhibition of recombinant full-length human C-terminal FLAG-His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 35 mins by fluorescence assay
50002316	2	ChEMBL_1758692 (CHEMBL4193700)	Inhibition of recombinant human full-length C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 35 mins by fluorescence assay
50002316	3	ChEMBL_1758693 (CHEMBL4193701)	Inhibition of recombinant human full-length C-terminal His-tagged HDAC3 (395 to 489 residues)/human NCOR2 expressed in baculovirus infected Sf9 insect cells using Boc-L-Lys(Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition measured after 35 mins by fluorescence assay
50002316	4	ChEMBL_1758694 (CHEMBL4193702)	Inhibition of recombinant HDAC8 (unknown origin) expressed in Escherichia coli using fluor de Lys(R) as substrate pretreated for 5 mins followed by substrate addition measured after 35 mins by fluorescence assay
50002317	1	ChEMBL_1758710 (CHEMBL4193718)	Inhibition of recombinant human His-tagged c-Met cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system using poly (Glu,Tyr)4:1 as substrate after 60 mins by spectrophotometric analysis
50002317	2	ChEMBL_1758711 (CHEMBL4193719)	Inhibition of recombinant human full length HDAC1 expressed in baculovirus infected Sf9 insect cells using biotinylated lysine 9 acetylated histone H3 (1 to 21 residues) as substrate incubated for 5 mins followed by substrate addition measured after 60 mins by HTRF assay
50002318	1	ChEMBL_1758721 (CHEMBL4193729)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay
50002318	2	ChEMBL_1758725 (CHEMBL4193733)	Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition measured after 30 mins by HTRF assay
50002318	3	ChEMBL_1758750 (CHEMBL4193758)	Inhibition of CYP2D6 (unknown origin)
50002318	4	ChEMBL_1758723 (CHEMBL4193731)	Displacement of [3H]-DPCPX from human A1 receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay
50002318	5	ChEMBL_1758724 (CHEMBL4193732)	Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition measured after 30 mins by HTRF assay
50002318	6	ChEMBL_1758747 (CHEMBL4193755)	Inhibition of CYP1A2 (unknown origin)
50002318	7	ChEMBL_1758752 (CHEMBL4193760)	Transactivation of recombinant human PXR expressed in HepG2 cells after 42 hrs by dual luciferase reporter gene assay
50002318	8	ChEMBL_1758749 (CHEMBL4193757)	Inhibition of CYP2C19 (unknown origin)
50002318	9	ChEMBL_1758748 (CHEMBL4193756)	Inhibition of CYP2C9 (unknown origin)
50002318	10	ChEMBL_1758732 (CHEMBL4193740)	Displacement of [3H]-MRS-1754 from human A2B receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay
50002318	11	ChEMBL_1758746 (CHEMBL4193754)	Inhibition of CYP3A4 (unknown origin)
50002319	1	ChEMBL_1758772 (CHEMBL4193780)	Inhibition of Enterovirus 71 Shenzhen/120F1/09 capsid infected in human RD cells assessed as reduction in virus-induced cell death after 72 hrs by CCK-8 assay
50002319	2	ChEMBL_1758787 (CHEMBL4193795)	Inhibition of human ERG expressed in CHO-K1 cells by Qpatch assay
50002320	1	ChEMBL_1758801 (CHEMBL4193809)	Inhibition of His-epitope tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) using biotinylated K5,8,12,16 tetra-acetylated histone H4 (1 to 20 residues) peptide as substrate measured after 1 hr by Alphascreen assay
50002320	2	ChEMBL_1758805 (CHEMBL4193813)	Inhibition of BRD4 in human MV411 cells assessed as reduction in MYC mRNA expression
50002321	1	ChEMBL_1758811 (CHEMBL4193819)	Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method
50002321	2	ChEMBL_1758810 (CHEMBL4193818)	Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method
50002321	3	ChEMBL_1758821 (CHEMBL4193829)	Binding affinity to MOR (unknown origin)
50002321	4	ChEMBL_1758822 (CHEMBL4193830)	Binding affinity to DOR (unknown origin)
50002322	1	ChEMBL_1758828 (CHEMBL4193836)	Inhibition of COX in RBL1 cells assessed as reduction in PGE2/D2 production using A23187-induced arachidonic acid as substrate preincubated for 2 hrs followed by A23187 addition measured after 15 mins by LC-MS/MS analysis
50002322	2	ChEMBL_1758829 (CHEMBL4193837)	Inhibition of 5-LOX in RBL1 cells assessed as reduction in LTB4 production using A23187-induced arachidonic acid as substrate preincubated for 2 hrs followed by A23187 addition measured after 15 mins by LC-MS/MS analysis
50002323	1	ChEMBL_1758830 (CHEMBL4193838)	Inhibition of KDM4C (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins in presence of 0.2 mg/ml BSA by LANCE TR-FRET assay
50002323	2	ChEMBL_1758837 (CHEMBL4193845)	Inhibition of full-length KDM4C (unknown origin) expressed in human KYSE-150 cells assessed as increase in H3K36me3 level after 24 hrs by Western blot analysis
50002323	3	ChEMBL_1758840 (CHEMBL4193848)	Inhibition of KDM4C (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins in presence of 0.02 mg/ml BSA by LANCE TR-FRET assay
50002323	4	ChEMBL_1758843 (CHEMBL4193851)	Inhibition of KDM3A (unknown origin) using biotinylated H3K9me1 peptide and alpha-ketoglutarate as substrate measured after 20 mins by LANCE TR-FRET assay
50002323	5	ChEMBL_1758844 (CHEMBL4193852)	Inhibition of KDM3B (unknown origin) using biotinylated H3K9me1 peptide and alpha-ketoglutarate as substrate measured after 20 mins by LANCE TR-FRET assay
50002323	6	ChEMBL_1758847 (CHEMBL4193855)	Inhibition of KDM4D (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002323	7	ChEMBL_1758848 (CHEMBL4193856)	Inhibition of KDM5B (unknown origin) using biotinylated H3K4me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002323	8	ChEMBL_1758850 (CHEMBL4193858)	Inhibition of PHF8 (unknown origin) using biotinylated H3K9me1 peptide and alpha-ketoglutarate as substrate measured after 20 mins by LANCE TR-FRET assay
50002323	9	ChEMBL_1758849 (CHEMBL4193857)	Inhibition of KDM6B (unknown origin) using biotinylated H3K27me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002323	10	ChEMBL_1758846 (CHEMBL4193854)	Inhibition of KDM4B (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002323	11	ChEMBL_1758842 (CHEMBL4193850)	Inhibition of KDM2B (unknown origin) using biotinylated H3K36me2 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002323	12	ChEMBL_1758845 (CHEMBL4193853)	Inhibition of KDM4A (unknown origin) using biotinylated H3K9me3 peptide and alpha-ketoglutarate as substrate pretreated for 1 hr followed by substrate addition measured after 20 mins by LANCE TR-FRET assay
50002326	1	ChEMBL_1758863 (CHEMBL4193871)	Inhibition of recombinant full length His-tagged human PI3K p110gamma expressed in baculovirus expression system using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay
50002326	2	ChEMBL_1758865 (CHEMBL4193873)	Inhibition of recombinant human PI3K p110beta using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay
50002326	3	ChEMBL_1758864 (CHEMBL4193872)	Inhibition of recombinant full length N-terminal His-tagged human PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay
50002326	4	ChEMBL_1758866 (CHEMBL4193874)	Inhibition of recombinant human full length His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2/PS as substrate after 1 hr by ADP-Glo luminescence assay
50002327	1	ChEMBL_1758889 (CHEMBL4193897)	Inhibition of CYP3A4 (unknown origin)
50002328	1	ChEMBL_1758968 (CHEMBL4193976)	Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins by spectrophotometry
50002328	2	ChEMBL_1758967 (CHEMBL4193975)	Inhibition of bovine milk xanthine oxidoreductase assessed as reduction in conversion of xanthine to uric acid by spectrophotometry
50002328	3	ChEMBL_1758966 (CHEMBL4193974)	Inhibition of cow milk xanthine oxidoreductase using hypoxanthine by spectrophotometry
50002329	1	ChEMBL_1758980 (CHEMBL4193988)	Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr by fluorescence assay
50002329	2	ChEMBL_1758983 (CHEMBL4193991)	Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.02% Tween20 surfactant by fluorescence assay
50002329	3	ChEMBL_1758981 (CHEMBL4193989)	Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0% Tween20 surfactant by fluorescence assay
50002329	4	ChEMBL_1758982 (CHEMBL4193990)	Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.01% Tween20 surfactant by fluorescence assay
50002330	1	ChEMBL_1758985 (CHEMBL4193993)	Inhibition of human BChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrophotometry based Ellman's method
50002330	2	ChEMBL_1758995 (CHEMBL4194003)	Inhibition of human AChE assessed as inhibitor dissociation constant for enzyme-substrate-inhibitor complex pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent Ellman's method based Lineweaver-Burk plot analysis
50002330	3	ChEMBL_1758984 (CHEMBL4193992)	Inhibition of human AChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrophotometry based Ellman's method
50002330	4	ChEMBL_1758994 (CHEMBL4194002)	Inhibition of human AChE assessed as inhibitor dissociation constant for enzyme-inhibitor complex pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent Ellman's method based Lineweaver-Burk plot analysis
50002331	1	ChEMBL_1759167 (CHEMBL4194175)	Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21 (DE3) pre-incubated for 30 mins using TS2 substrate in presence of NADPH by colorimetric microplate assay
50002332	1	ChEMBL_1759191 (CHEMBL4194199)	Inhibition of cMet (unknown origin) using poly(Glu, Tyr)4:1 substrate and ATP incubated fro 60 mins by ELISA
50002332	2	ChEMBL_1759198 (CHEMBL4194206)	Inhibition of RET (unknown origin)
50002332	4	ChEMBL_1759197 (CHEMBL4194205)	Inhibition of EGFR (unknown origin)
50002332	5	ChEMBL_1759196 (CHEMBL4194204)	Inhibition of VEGFR2 (unknown origin)
50002332	6	ChEMBL_1759199 (CHEMBL4194207)	Inhibition of cKIT (unknown origin)
50002332	7	ChEMBL_1759200 (CHEMBL4194208)	Inhibition of FLT3 (unknown origin)
50002333	1	ChEMBL_1759232 (CHEMBL4194240)	Agonist activity at human GPR40/FFA1 expressed in CHO cells assessed as increase in calcium flux at 1 uM by Fluo-8 AM dye based FLIPR method
50002335	1	ChEMBL_1759312 (CHEMBL4194320)	Modulation of recombinant human GluN1/GluN2B NMDA receptor expressed in mammalian cells assessed as inhibition of glutamate/glycine-induced intracellular calcium flux pretreated for 5 mins followed by glutamate/glycine addition measured after 5 mins by calcium 5 dye based FLIPR assay
50002336	1	ChEMBL_1759315 (CHEMBL4194323)	Inhibition of MAP3K14 in human L363 assessed as decrease in IKKalpha phosphorylation level after 2 hrs by sandwich immuno assay
50002336	2	ChEMBL_1759316 (CHEMBL4194324)	Inhibition of recombinant human GST-tagged MAP3K14 autophosphorylation after 1 hr by Alpha screen assay
50002338	1	ChEMBL_1759317 (CHEMBL4194325)	Inhibition of BTK (unknown origin) using peptide substrate after 1 hr by HTRF assay
50002339	1	ChEMBL_1759326 (CHEMBL4194334)	Inhibition of recombinant human full-length carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002339	2	ChEMBL_1759329 (CHEMBL4194337)	Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002339	3	ChEMBL_1759330 (CHEMBL4194338)	Inhibition of recombinant human carbonic anhydrase 12 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002339	4	ChEMBL_1759328 (CHEMBL4194336)	Inhibition of recombinant human full-length carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002340	1	ChEMBL_1759336 (CHEMBL4194344)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002340	2	ChEMBL_1759338 (CHEMBL4194346)	Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002340	3	ChEMBL_1759335 (CHEMBL4194343)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002340	4	ChEMBL_1759337 (CHEMBL4194345)	Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50002341	1	ChEMBL_1759370 (CHEMBL4194378)	Inhibition of IDO1 in human IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production using L-tryptophan substrate incubated for 24 hrs
50002341	3	ChEMBL_1759368 (CHEMBL4194376)	Inhibition of IDO1 (unknown origin) by in-vitro assay
50002342	1	ChEMBL_1759388 (CHEMBL4194396)	Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 assessed as reduction in biotin-dUTP incorporation incubated for 40 mins using poly(rA) template and oligo(dT)16 primer by picogreen dye based spectrofluorometry
50002343	1	ChEMBL_1759437 (CHEMBL4194445)	Inhibition of c-Met (unknown origin)
50002343	2	ChEMBL_1759438 (CHEMBL4194446)	Inhibition of CDK9 (unknown origin)
50002343	3	ChEMBL_1759439 (CHEMBL4194447)	Inhibition of CDK2 (unknown origin)
50002344	1	ChEMBL_1759452 (CHEMBL4194460)	Inhibition of mouse ENT1 expressed in mammalian cells assessed as reduction in [2,8-H]adenosine uptake by liquid scintillation counting method
50002345	1	ChEMBL_1759474 (CHEMBL4194482)	Inhibition of Candida albicans ATCC 90028 NMT using GLTISKLFRR-NH2 as substrate assessed as reduction in [3H]-myristoylated peptide reaction product formation preincubated with substrate for 10 mins followed by enzyme addition measured after 10 mins by HPLC analysis
50002345	2	ChEMBL_1759485 (CHEMBL4194493)	Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) using L-ornithine as substrate after 20 mins by UPLC analysis
50002345	3	ChEMBL_1759454 (CHEMBL4194462)	Inhibition of Saccharomyces cerevisiae GFP-fused GST-tagged Hog1 kinase activity using biotinylated peptide DVPG-T-PSDKVIT as substrate in presence of [32gammaP]-ATP
50002345	4	ChEMBL_1759533 (CHEMBL4194541)	Binding affinity to Candida glabrata Gal11A KIX domain
50002345	5	ChEMBL_1759484 (CHEMBL4194492)	Non-competitive inhibition of Aspergillus fumigatus N-terminal 6His-tagged SidA expressed in Escherichia coli BL21 (DE3) by FP assay
50002346	1	ChEMBL_1759549 (CHEMBL4194557)	Inhibition of recombinant PDE9A2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate after 15 mins by liquid scintillation counting method
50002346	2	ChEMBL_1759535 (CHEMBL4194543)	Allosteric modulation of human PDE4D
50002346	3	ChEMBL_1759551 (CHEMBL4194559)	Inhibition of PDE9A (unknown origin)
50002346	4	ChEMBL_1759548 (CHEMBL4194556)	Inhibition of PDE5A (unknown origin)
50002346	5	ChEMBL_1759543 (CHEMBL4194551)	Allosteric modulation of recombinant human PDE4D expressed in HEK293 cells by cAMP assay
50002346	6	ChEMBL_1759540 (CHEMBL4194548)	Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in insect sf21 cells using [3H]-cGMP as substrate by SPA assay
50002346	7	ChEMBL_1759550 (CHEMBL4194558)	Inhibition of human PDE9A expressed in baculovirus infected in Sf9 insect cells using [8-3H]guanosine 3',5'-cyclic phosphate as substrate after 60 mins by scintillation proximity assay
50002346	8	ChEMBL_1759544 (CHEMBL4194552)	Allosteric modulation of mouse PDE4D
50002346	9	ChEMBL_1759545 (CHEMBL4194553)	Inhibition of recombinant human full length PDE5A1 catalytic domain expressed in Escherichia coli BL21 using [3H]cGMP as substrate after 15 mins by liquid scintillation counting
50002347	1	ChEMBL_1759574 (CHEMBL4194582)	Displacement of [3H]progesterone from progesterone receptor in human T47D cells after 1200 mins by scintillation counting method
50002347	2	ChEMBL_1759600 (CHEMBL4194608)	Modulation of glucocorticoid receptor in rat plasma
50002347	3	ChEMBL_1759560 (CHEMBL4194568)	Transrepression activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of PMA-stimulated gene expression incubated for 24 hrs by beta-galactosidase reporter gene assay
50002347	4	ChEMBL_1759553 (CHEMBL4194561)	Displacement of fluormone RED from human full length glucocorticoid receptor after 4 hrs by fluorescence polarization assay
50002347	5	ChEMBL_1759554 (CHEMBL4194562)	Transactivation activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells incubated for 24 hrs by beta-galactosidase reporter gene assay
50002347	6	ChEMBL_1759556 (CHEMBL4194564)	Antagonist activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells assessed as inhibition of dexamethasone induced transactivation incubated for 24 hrs by beta-galactosidase reporter gene assay
50002347	7	ChEMBL_1759569 (CHEMBL4194577)	Transrepression of GR in human whole blood assessed as inhibition of LPS-induced TNF-alpha release preincubated for 45 mins followed by LPS addition after 18 hrs by AlphaLISA method
50002347	8	ChEMBL_1759578 (CHEMBL4194586)	Binding affinity to human ERbeta expressed in Sf9 cells by fluoligand binding-based fluorescence polarization method
50002347	9	ChEMBL_1759577 (CHEMBL4194585)	Binding affinity to human ERalpha expressed in Sf9 cells by fluoligand binding-based fluorescence polarization method
50002347	10	ChEMBL_1759599 (CHEMBL4194607)	Modulation of glucocorticoid receptor in rat whole blood
50002347	11	ChEMBL_1759575 (CHEMBL4194583)	Displacement of [3H]methyltrienolone from androgen receptor in human LNCaP cells after 1440 mins by scintillation counting method
50002347	12	ChEMBL_1759576 (CHEMBL4194584)	Displacement of [3H]-aldosterone from human mineralocorticoid receptor LBD (729 to 984 residues) after 1 hr by scintillation proximity assay
50002348	1	ChEMBL_1759619 (CHEMBL4194627)	Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay
50002348	2	ChEMBL_1759622 (CHEMBL4194630)	Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs in presence of folic acid by Cell-Titer Blue assay
50002348	3	ChEMBL_1759623 (CHEMBL4194631)	Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay
50002348	4	ChEMBL_1759618 (CHEMBL4194626)	Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs in presence of folic acid by Cell-Titer Blue assay
50002348	5	ChEMBL_1759624 (CHEMBL4194632)	Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay
50002348	6	ChEMBL_1759636 (CHEMBL4194644)	Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 2 mins by Dixon plot analysis
50002348	7	ChEMBL_1759639 (CHEMBL4194647)	Inhibition of GARFTase in human KB cells assessed as decrease in [14C]formyl GAR accumulation preincubated for 30 mins followed by [14C]glycine addition measured after 15 hrs in presence of azaserine by ion-exchange chromatographic assay
50002348	8	ChEMBL_1759621 (CHEMBL4194629)	Binding affinity to human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue assay
50002349	1	ChEMBL_1759706 (CHEMBL4194714)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3 expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid scintillation counting analysis
50002349	2	ChEMBL_1759653 (CHEMBL4194661)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	3	ChEMBL_1759707 (CHEMBL4194715)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid scintillation counting analysis
50002349	4	ChEMBL_1759651 (CHEMBL4194659)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	5	ChEMBL_1759649 (CHEMBL4194657)	Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	6	ChEMBL_1759652 (CHEMBL4194660)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	7	ChEMBL_1759655 (CHEMBL4194663)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2gamma2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	8	ChEMBL_1759656 (CHEMBL4194664)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	9	ChEMBL_1759682 (CHEMBL4194690)	Modulation of rat eGFP-fused GABA-A receptor alpha1beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	10	ChEMBL_1759683 (CHEMBL4194691)	Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	11	ChEMBL_1759684 (CHEMBL4194692)	Modulation of rat eGFP-fused GABA-A receptor alpha4beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	12	ChEMBL_1759685 (CHEMBL4194693)	Modulation of rat eGFP-fused GABA-A receptor alpha4beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	13	ChEMBL_1759686 (CHEMBL4194694)	Modulation of rat eGFP-fused GABA-A receptor alpha6beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	14	ChEMBL_1759688 (CHEMBL4194696)	Modulation of rat eGFP-fused GABA-A receptor alpha6beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	15	ChEMBL_1759708 (CHEMBL4194716)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3delta expressed in HEK293 cell membranes after 90 mins in presence of GABA by liquid scintillation counting analysis
50002349	16	ChEMBL_1759648 (CHEMBL4194656)	Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	17	ChEMBL_1759654 (CHEMBL4194662)	Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta2 expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	18	ChEMBL_1759650 (CHEMBL4194658)	Displacement of [3H]EBOB from rat GABA-A receptor alpha4beta3delta expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002349	19	ChEMBL_1759681 (CHEMBL4194689)	Modulation of rat eGFP-fused GABA-A receptor alpha1beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002349	20	ChEMBL_1759687 (CHEMBL4194695)	Modulation of rat eGFP-fused GABA-A receptor alpha6beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay
50002350	1	ChEMBL_1759758 (CHEMBL4194766)	Inhibition of CRAF (unknown origin) by Z'-LYTE assay
50002350	2	ChEMBL_1759734 (CHEMBL4194742)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by AlphaScreen assay
50002350	3	ChEMBL_1759725 (CHEMBL4194733)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation
50002350	4	ChEMBL_1759756 (CHEMBL4194764)	Inhibition of ARAF (unknown origin)
50002350	5	ChEMBL_1759743 (CHEMBL4194751)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation after 2 hrs by ELISA
50002350	6	ChEMBL_1759732 (CHEMBL4194740)	Inhibition of N-terminal His-tagged BRAF V600E mutant (unknown origin) expressed in baculovirus infected insect cells co-expressing CDC37 using biotinylated-MEK as substrate by AlphaScreen assay
50002350	7	ChEMBL_1759751 (CHEMBL4194759)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation after 1 hr by TR-FRET assay
50002350	8	ChEMBL_1759750 (CHEMBL4194758)	Inhibition of BRAF V600E mutant (unknown origin) using MEK1 as substrate preincubated for 60 to 120 mins followed by substrate addition measured after 2 hrs by TR-FRET assay
50002350	9	ChEMBL_1759747 (CHEMBL4194755)	Inhibition of BRAF V600E mutant in human PLGA cells assessed as reduction in ERK phosphorylation after 1 hr by mass spectrometric analysis
50002350	10	ChEMBL_1759744 (CHEMBL4194752)	Inhibition of human His-tagged BRAF V600E mutant (513 to 693 residues) using inactive MEK as substrate after 30 mins by immunoblotting analysis
50002350	11	ChEMBL_1759757 (CHEMBL4194765)	Inhibition of wild type BRAF (unknown origin) by Z'-LYTE assay
50002350	12	ChEMBL_1759736 (CHEMBL4194744)	Inhibition of BRAF V600E mutant (unknown origin)
50002350	13	ChEMBL_1759737 (CHEMBL4194745)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by Western blot analysis
50002350	14	ChEMBL_1759731 (CHEMBL4194739)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by ELISA
50002350	15	ChEMBL_1759728 (CHEMBL4194736)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by immunoblot analysis
50002350	16	ChEMBL_1759726 (CHEMBL4194734)	Inhibition of full length human 6His-tagged BRAF V600E mutant expressed in baculovirus infected insect cells co-expressing human CDC37 (1 to 378 residues) using MEK1 as substrate after 30 mins
50002350	17	ChEMBL_1759723 (CHEMBL4194731)	Inhibition of recombinant BRAF (409 to 765 residues) (unknown origin) using MEK1 as substrate after 25 mins in presence of gamma-[33P]ATP
50002350	18	ChEMBL_1759755 (CHEMBL4194763)	Inhibition of CRAF (unknown origin)
50002350	19	ChEMBL_1759729 (CHEMBL4194737)	Inhibition of BRAF V600E mutant in human MALME-3M cells
50002350	20	ChEMBL_1759754 (CHEMBL4194762)	Inhibition of wild type BRAF (unknown origin) using MEK1 as substrate preincubated for 60 to 120 mins followed by substrate addition measured after 2 hrs by TR-FRET assay
50002350	21	ChEMBL_1759749 (CHEMBL4194757)	Inhibition of BRAF V600E mutant in human SK-MEL-239 cells assessed as reduction in ERK phosphorylation after 1 hr by Western blot analysis
50002350	22	ChEMBL_1759740 (CHEMBL4194748)	Inhibition of BRAF in human Jurkat T cells assessed as reduction in ERK phosphorylation
50002350	23	ChEMBL_1759741 (CHEMBL4194749)	Inhibition of BRAF V600E mutant (unknown origin) by Z'-LYTE assay
50002351	1	ChEMBL_1759762 (CHEMBL4194770)	Inhibition of PDE5 (unknown origin)
50002351	2	ChEMBL_1759768 (CHEMBL4194776)	Inhibition of Bcl2 (unknown origin)
50002351	3	ChEMBL_1759776 (CHEMBL4194784)	Inhibition of human p38alpha assessed as reduction in [gamma32P]ATP incorporation in to peptide substrate after 40 mins by scintillation counting method
50002351	4	ChEMBL_1759773 (CHEMBL4194781)	Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 cell membranes after 120 mins by HTS assay
50002351	5	ChEMBL_1759761 (CHEMBL4194769)	Antagonist activity at CCR5 (unknown origin)
50002351	6	ChEMBL_1759779 (CHEMBL4194787)	Inhibition of human BACE1 (1 to 460 residues) preincubated for 10 mins followed by (Europium)CEVNLDAEFK(Qsy7) substrate addition measured after 6.5 hrs by TR-FRET assay
50002351	7	ChEMBL_1759775 (CHEMBL4194783)	Inhibition of p38alpha (unknown origin)
50002351	8	ChEMBL_1759774 (CHEMBL4194782)	Activation of human AMPK alpha2/beta1/gamma1 expressed in Escherichia coli BL21
50002351	9	ChEMBL_1759763 (CHEMBL4194771)	Displacement of MIP-1beta from human CCR5 expressed in HEK293 cells
50002351	10	ChEMBL_1759765 (CHEMBL4194773)	Displacement of [125I]-labeled MIP-1alpha from human CCR5 expressed in CHO cell membranes after 240 mins by TopCount scintillation counting method
50002352	1	ChEMBL_1759793 (CHEMBL4194801)	Inhibition of APN in porcine kidney microsomes using L-leucine-p-nitroanilide as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by UV-visible spectrophotometric method
50002352	2	ChEMBL_1759786 (CHEMBL4194794)	Inhibition of APN (unknown origin)
50002352	3	ChEMBL_1759807 (CHEMBL4194815)	Inhibition of pig APN
50002352	4	ChEMBL_1759813 (CHEMBL4194821)	Inhibition of LAP (unknown origin)
50002352	5	ChEMBL_1759816 (CHEMBL4194824)	Inhibition of APN in porcine kidney using Ala-p-NA as substrate
50002352	6	ChEMBL_1759811 (CHEMBL4194819)	Inhibition of hog kidney APN using [3H]Tyr1-Leu5-enkephalin as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by liquid scintillation counting method
50002352	7	ChEMBL_1759797 (CHEMBL4194805)	Competitive inhibition of LAP in porcine kidney microsomes
50002352	8	ChEMBL_1759787 (CHEMBL4194795)	Competitive inhibition of aminopeptidase-M (unknown origin)
50002352	9	ChEMBL_1759783 (CHEMBL4194791)	Inhibition of porcine kidney leucine aminopeptidase using LGG as substrate after 90 mins
50002352	10	ChEMBL_1759821 (CHEMBL4194829)	Inhibition of human APN
50002352	11	ChEMBL_1759819 (CHEMBL4194827)	Inhibition of Plasmodium falciparum malaria M1 alanyl aminopeptidase using Leu-p-NA as substrate
50002352	12	ChEMBL_1759815 (CHEMBL4194823)	Inhibition of APN in porcine kidney using L-leucine p-nitroanilide as substrate preincubated for 60 mins followed by substrate addition measured after 10 mins by spectrophotometric method
50002352	13	ChEMBL_1759808 (CHEMBL4194816)	Inhibition of APA (unknown origin)
50002352	14	ChEMBL_1759789 (CHEMBL4194797)	Inhibition of APN in porcine kidney microsomes using L-leucine-p-nitroanilide as substrate preincubated for 30 mins followed by substrate addition by UV-visible spectrophotometric method
50002352	15	ChEMBL_1759817 (CHEMBL4194825)	Inhibition of APA (unknown origin) using GluNA as substrate
50002352	16	ChEMBL_1759814 (CHEMBL4194822)	Inhibition of aminopeptidase-M (unknown origin)
50002352	17	ChEMBL_1759800 (CHEMBL4194808)	Inhibition of APN in human placenta using AlabetaNA as substrate
50002352	18	ChEMBL_1759782 (CHEMBL4194790)	Inhibition of full-length recombinant C-terminal FLAG-tagged human leukotriene A4 hydrolase expressed in baculovirus-infected insect cells using Arg-AMC as substrate after 1 hr by fluorescence assay
50002352	19	ChEMBL_1759809 (CHEMBL4194817)	Inhibition of APN in porcine kidney using Ala-betaNA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence spectrofluorometric method
50002352	20	ChEMBL_1759798 (CHEMBL4194806)	Inhibition of APA (unknown origin) using GlubetaNA as substrate after 30 mins
50002352	21	ChEMBL_1759794 (CHEMBL4194802)	Inhibition of recombinant human MMP2 expressed in Escherichia coli preincubated for 30 mins followed by succinylated gelatin substrate addition measured after 60 mins
50002352	22	ChEMBL_1759799 (CHEMBL4194807)	Inhibition of APB in rat testis using ArgbetaNA as substrate
50002352	23	ChEMBL_1759818 (CHEMBL4194826)	Inhibition of APN in porcine kidney using Leu-p-NA as substrate
50002353	1	ChEMBL_1759896 (CHEMBL4194904)	Binding affinity to BRD2 bromodomain 1 to 2 (G73 to A560 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002353	2	ChEMBL_1759878 (CHEMBL4194886)	Binding affinity to BRD4 in human H1299 cells stably expressing E2 and HPV16-LCR luciferase reporter incubated for 24 hrs by Bright-Glo luciferase reporter gene assay based BRD4 engagement assay
50002353	3	ChEMBL_1759876 (CHEMBL4194884)	Binding affinity to His-tagged BRD4 bromodomain 1 to 2 (K57 to K550 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002353	4	ChEMBL_1759900 (CHEMBL4194908)	Binding affinity to BRDT bromodomain 1 to 2 (N21to P380 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002353	5	ChEMBL_1759898 (CHEMBL4194906)	Binding affinity to BRD4 bromodomain 1 (K57 to E168 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002353	6	ChEMBL_1759899 (CHEMBL4194907)	Binding affinity to BRD4 bromodomain 2 (E352 to M457 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002353	7	ChEMBL_1759897 (CHEMBL4194905)	Binding affinity to BRD3 bromodomain 1 to 2 (P24 to P416 amino acids) (unknown origin) using Alexa647-labeled BET-inhibitor as fluorescent probe by bromodomain TR-FRET binding assay
50002354	1	ChEMBL_1759922 (CHEMBL4194930)	Binding affinity to PDGFRbeta (unknown origin)
50002354	2	ChEMBL_1759923 (CHEMBL4194931)	Binding affinity to KIT (unknown origin)
50002354	3	ChEMBL_1759921 (CHEMBL4194929)	Binding affinity to PDGFRalpha (unknown origin)
50002354	4	ChEMBL_1759924 (CHEMBL4194932)	Binding affinity to KIT D816V mutant (unknown origin)
50002354	5	ChEMBL_1759926 (CHEMBL4194934)	Binding affinity to KIT V559D mutant (unknown origin)
50002354	6	ChEMBL_1759927 (CHEMBL4194935)	Binding affinity to KIT V559D/T670I mutant (unknown origin)
50002354	7	ChEMBL_1759925 (CHEMBL4194933)	Binding affinity to KIT V816H mutant (unknown origin)
50002355	1	ChEMBL_1759969 (CHEMBL4194977)	Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R assessed as apparent Kd for H3(1-10)K4me3 peptide at 1 mM by ITC method (Rvb = 5.2 +/- 0.3 uM)
50002355	2	ChEMBL_1759959 (CHEMBL4194967)	Binding affinity to 6His-tagged and human KDM4C tandem TUDOR domain (874 to 990 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC method
50002355	3	ChEMBL_1759968 (CHEMBL4194976)	Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R assessed as apparent Kd for H3(1-10)K4me3 peptide at 0.5 mM by ITC method (Rvb = 5.2 +/- 0.3 uM)
50002355	4	ChEMBL_1759971 (CHEMBL4194979)	Inhibition of NanoLuc-KDM4A-TUDOR domain (unknown origin) binding to Histone H3.3-HaloTag expressed in 293T cells incubated for 18 hrs by Nano-BRET based target engagement assay
50002355	5	ChEMBL_1759970 (CHEMBL4194978)	Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R assessed as apparent Kd for H3(1-10)K4me3 peptide at 2.5 mM by ITC method (Rvb = 5.2 +/- 0.3 uM)
50002355	6	ChEMBL_1759962 (CHEMBL4194970)	Binding affinity to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC method
50002355	7	ChEMBL_1759961 (CHEMBL4194969)	Binding affinity to thrombin cleavable N-terminal 6His-tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R at 1 mM by 13C HSQC NMR spectroscopy
50002355	8	ChEMBL_1759960 (CHEMBL4194968)	Binding affinity to 6His-tagged and human KDM4B tandem TUDOR domain (916 to 1030 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC method
50002355	9	ChEMBL_1759972 (CHEMBL4194980)	Inhibition of H3(1-10)K4me3 peptide binding to thrombin cleavable N-terminal 6His tagged and 13C-IVLM labeled human KDM4A tandem TUDOR domain (897 to 1011 residues) expressed in Escherichia coli BL21(DE3)-T1R by ITC method
50002356	1	ChEMBL_1760053 (CHEMBL4195061)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis
50002356	2	ChEMBL_1760018 (CHEMBL4195026)	Negative allosteric modulator activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of EC80 glutamate-induced Ca2+ mobilization by Fluo-4 AM dye based fluorescence assay
50002356	3	ChEMBL_1760017 (CHEMBL4195025)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC/MS/MS analysis
50002356	4	ChEMBL_1760052 (CHEMBL4195060)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis
50002356	5	ChEMBL_1760054 (CHEMBL4195062)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis
50002357	1	ChEMBL_1760055 (CHEMBL4195063)	Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50002357	2	ChEMBL_1760056 (CHEMBL4195064)	Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50002357	3	ChEMBL_1760058 (CHEMBL4195066)	Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50002357	4	ChEMBL_1760063 (CHEMBL4195071)	Inverse agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50002357	5	ChEMBL_1760064 (CHEMBL4195072)	Inverse agonist activity at GAL4 DNA-binding domain-tagged RARabetaa (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50002358	1	ChEMBL_1760076 (CHEMBL4195084)	Inhibition of His tagged Escherichia coli ATCC 25922 DNA gyrase A SD-LY mutant expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as reduction in enzyme-mediated supercoiling of relaxed plasmid DNA pNO1 after 30 mins in presence of biotinylated TFO1 by fluorescence assay
50002359	1	ChEMBL_1760146 (CHEMBL4195154)	Antagonist activity at human D2 receptor expressed in CHO-K1 cells co-expressing Galphaqi5 assessed as decrease in apomorphine-induced calcium mobilization preincubated for 30 mins followed by apomorphine challenge measured for 30 secs by aequorin-derived luminescence assay
50002359	2	ChEMBL_1760113 (CHEMBL4195121)	Binding affinity to 5-HT2A receptor (unknown origin)
50002359	3	ChEMBL_1760128 (CHEMBL4195136)	Displacement of [3H]methylspiperonee from recombinant human D2 receptor expressed in HEK293 cells cell membranes after 60 mins by liquid scintillation counting method
50002359	4	ChEMBL_1760127 (CHEMBL4195135)	Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting method
50002359	5	ChEMBL_1760125 (CHEMBL4195133)	Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50002359	6	ChEMBL_1760117 (CHEMBL4195125)	Displacement of [3H]-LSD from recombinant human 5-HT7 receptor after 60 mins by liquid scintillation counting method
50002359	7	ChEMBL_1760134 (CHEMBL4195142)	Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells co-expressing Galpha16 assessed as decrease in serotonin calcium mobilization preincubated for 25 mins followed by serotonin challenge measured for 30 secs by aequorin-derived luminescence assay
50002359	8	ChEMBL_1760140 (CHEMBL4195148)	Agonist activity at human 5-HT7 receptor expressed in CHO-K1 cells assessed as increase in serotonin-induced cAMP level after 1 hr by TR-FRET assay
50002359	9	ChEMBL_1760142 (CHEMBL4195150)	Antagonist activity at human 5-HT7 receptor expressed in CHO-K1 cells assessed as decrease in serotonin-induced cAMP level after 1 hr by TR-FRET assay
50002359	10	ChEMBL_1760144 (CHEMBL4195152)	Agonist activity at human D2 receptor expressed in CHO-K1 cells co-expressing Galphaqi5 assessed as increase in calcium mobilization measured for 30 secs by aequorin-derived luminescence assay
50002359	11	ChEMBL_1760129 (CHEMBL4195137)	Displacement of [3H]prazosin from recombinant human alpha1 adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counting method
50002359	12	ChEMBL_1760126 (CHEMBL4195134)	Displacement of [3H]LSD from recombinant human 5-HT6 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting method
50002359	13	ChEMBL_1760124 (CHEMBL4195132)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method
50002359	14	ChEMBL_1760123 (CHEMBL4195131)	Displacement of [3H]5-CT from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr
50002359	15	ChEMBL_1760122 (CHEMBL4195130)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr
50002359	16	ChEMBL_1760120 (CHEMBL4195128)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method
50002359	17	ChEMBL_1760119 (CHEMBL4195127)	Displacement of [3H]-prazosin from Wistar rat cerebral cortex membranes alpha1 adrenoceptor by liquid scintillation counting method
50002359	18	ChEMBL_1760116 (CHEMBL4195124)	Displacement of [3H]-ketanserin from recombinant human 5-HT2A receptor after 60 mins by liquid scintillation counting method
50002359	19	ChEMBL_1760115 (CHEMBL4195123)	Displacement of [3H]8-OH-DPAT from Wistar rat 5-HT1A receptor after 20 mins by liquid scintillation counting method
50002359	20	ChEMBL_1760114 (CHEMBL4195122)	Binding affinity to D2 receptor (unknown origin)
50002359	21	ChEMBL_1760111 (CHEMBL4195119)	Binding affinity to 5-HT1A receptor (unknown origin)
50002359	22	ChEMBL_1760110 (CHEMBL4195118)	Displacement of [3H]prazosin from rat cerebral cortex adrenergic receptor alpha1 by liquid scintillation counting method
50002359	23	ChEMBL_1760132 (CHEMBL4195140)	Agonist activity at human 5-HT1A receptor expressed in CHO-K1 cells co-expressing Galpha16 assessed as increase in calcium mobilization measured for 30 secs by aequorin-derived luminescence assay
50002359	24	ChEMBL_1760136 (CHEMBL4195144)	Agonist activity at human 5-HT2A receptor expressed in CHO-K1 cells co-expressing Galpha16 assessed as increase in calcium mobilization measured for 30 secs by aequorin-derived luminescence assay
50002359	25	ChEMBL_1760138 (CHEMBL4195146)	Antagonist activity at human 5-HT2A receptor expressed in CHO-K1 cells co-expressing Galpha16 assessed as decrease in serotonin calcium mobilization preincubated for 30 mins followed by serotonin challenge measured for 30 secs by aequorin-derived luminescence assay
50002359	26	ChEMBL_1760121 (CHEMBL4195129)	Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation counting method
50002359	27	ChEMBL_1760118 (CHEMBL4195126)	Displacement of [3H]clonidine from rat cerebral cortex adrenergic receptor alpha2 by liquid scintillation counting method
50002359	28	ChEMBL_1760112 (CHEMBL4195120)	Binding affinity to histamine H1 receptor (unknown origin)
50002361	1	ChEMBL_1760217 (CHEMBL4195225)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50002361	2	ChEMBL_1760190 (CHEMBL4195198)	Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 hrs by HTRF assay
50002361	3	ChEMBL_1760221 (CHEMBL4195229)	Inhibition of CYP3A4 in human liver microsomes using terfenadine as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50002361	4	ChEMBL_1760218 (CHEMBL4195226)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50002361	5	ChEMBL_1760223 (CHEMBL4195231)	Inhibition of human ERG expressed in HEK293 cells by manual patch clamp assay
50002361	6	ChEMBL_1760224 (CHEMBL4195232)	Inhibition of BACE2 (unknown origin)
50002361	7	ChEMBL_1760219 (CHEMBL4195227)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50002361	8	ChEMBL_1760189 (CHEMBL4195197)	Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substrate incubated for 3 hrs by HTRF assay
50002361	10	ChEMBL_1760220 (CHEMBL4195228)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC/MS/MS analysis
50002361	11	ChEMBL_1760225 (CHEMBL4195233)	Inhibition of cathepsin D (unknown origin)
50002361	12	ChEMBL_1760187 (CHEMBL4195195)	Inhibition of BACE1 (unknown origin)
50002362	1	ChEMBL_1760346 (CHEMBL4195354)	Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorescence assay
50002363	1	ChEMBL_1760355 (CHEMBL4195363)	Positive allosteric modulation of GluA2Q flop isoform (unknown origin) expressed in HEK293 cells assessed as increase in L-glutamate induced calcium flux after 1 hr by fluo-4AM dye-based fluorescence assay
50002365	1	ChEMBL_1760358 (CHEMBL4195366)	Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-GLO assay
50002365	2	ChEMBL_1760359 (CHEMBL4195367)	Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay
50002366	1	ChEMBL_1760376 (CHEMBL4195384)	Inhibition of HDAC1 (unknown origin) using fluorogenic substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	2	ChEMBL_1760381 (CHEMBL4195389)	Inhibition of VEGFR-2 (unknown origin) after 40 mins by kinase-Glo assay
50002366	3	ChEMBL_1760362 (CHEMBL4195370)	Inhibition of HDAC in human HeLa cell nuclear extract using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	4	ChEMBL_1760377 (CHEMBL4195385)	Inhibition of HDAC2 (unknown origin) using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	5	ChEMBL_1760380 (CHEMBL4195388)	Inhibition of HDAC8 (unknown origin) using fluorogenic Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	6	ChEMBL_1760384 (CHEMBL4195392)	Inhibition of PDGFRbeta (unknown origin) after 40 mins by kinase-Glo assay
50002366	7	ChEMBL_1760387 (CHEMBL4195395)	Inhibition of C-kit (unknown origin) after 40 mins by kinase-Glo assay
50002366	8	ChEMBL_1760382 (CHEMBL4195390)	Inhibition of VEGFR-1 (unknown origin) after 40 mins by kinase-Glo assay
50002366	9	ChEMBL_1760378 (CHEMBL4195386)	Inhibition of HDAC3 (unknown origin) using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	10	ChEMBL_1760379 (CHEMBL4195387)	Inhibition of HDAC6 (unknown origin) using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence-based assay
50002366	11	ChEMBL_1760383 (CHEMBL4195391)	Inhibition of VEGFR-3 (unknown origin) after 40 mins by kinase-Glo assay
50002366	12	ChEMBL_1760385 (CHEMBL4195393)	Inhibition of FGFR1 (unknown origin) after 40 mins by kinase-Glo assay
50002366	13	ChEMBL_1760386 (CHEMBL4195394)	Inhibition of C-fms (unknown origin) after 40 mins by kinase-Glo assay
50002481	3	ChEMBL_1765358 (CHEMBL4200605)	Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells incubated for 30 mins measured at 60 secs interval for 120 mins by Hoechst 33342 staining based fluorescence assay
50002482	1	ChEMBL_1765363 (CHEMBL4200610)	Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured over 15 mins by fluorescence assay
50002482	2	ChEMBL_1765368 (CHEMBL4200615)	Inhibition of human plasma kallikrein using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay
50002482	3	ChEMBL_1765372 (CHEMBL4200619)	Inhibition of activated protein C (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay
50002482	4	ChEMBL_1765371 (CHEMBL4200618)	Inhibition of trypsin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002482	5	ChEMBL_1765367 (CHEMBL4200614)	Inhibition of thrombin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002482	6	ChEMBL_1765365 (CHEMBL4200612)	Inhibition of tPA (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002482	7	ChEMBL_1765385 (CHEMBL4200632)	Inhibition of mouse uPA using Z-Gly-Gly-Arg-AMC as substrate after 15 mins by fluorescence assay
50002482	8	ChEMBL_1765408 (CHEMBL4200655)	Inhibition of uPA (unknown origin) using L-pyroglutamyl-glycyl-L-arginine-p-nitro-anilide as susbtrate by Lineweaver-Burk plot analysis
50002482	9	ChEMBL_1765409 (CHEMBL4200656)	Inhibition of uPA (unknown origin)
50002482	10	ChEMBL_1765370 (CHEMBL4200617)	Inhibition of factor 10a (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002482	11	ChEMBL_1765369 (CHEMBL4200616)	Inhibition of factor 11a (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay
50002482	12	ChEMBL_1765366 (CHEMBL4200613)	Inhibition of plasmin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002482	13	ChEMBL_1765364 (CHEMBL4200611)	Inhibition of human kidney uPA using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay
50002483	1	ChEMBL_1765444 (CHEMBL4200691)	Binding affinity to human serum albumin by ITC method
50002483	2	ChEMBL_1765443 (CHEMBL4200690)	Binding affinity to transthyretin (unknown origin) by ITC method
50002483	3	ChEMBL_1765445 (CHEMBL4200692)	Binding affinity to human serum albumin
50002483	4	ChEMBL_1765463 (CHEMBL4200710)	Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method
50002484	1	ChEMBL_1765517 (CHEMBL4200764)	Binding affinity to ABL1 (64 to 515 residues) (unknown origin) expressed in Escherichia coli by NMR analysis
50002484	2	ChEMBL_1765492 (CHEMBL4200739)	Inhibition of ABL1 (64 to 515 residues)(unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2 peptide as substrate after 60 mins by caliper assay
50002484	3	ChEMBL_1765499 (CHEMBL4200746)	Displacement of [3H]dofetilide from human ERG by high throughput assay
50002484	4	ChEMBL_1765513 (CHEMBL4200760)	Inhibition of human ERG by automated patch clamp assay
50002484	5	ChEMBL_1765514 (CHEMBL4200761)	Inhibition of human ERG by manual patch clamp assay
50002484	6	ChEMBL_1765549 (CHEMBL4200796)	Inhibition of CYP2C9 (unknown origin)
50002484	7	ChEMBL_1765550 (CHEMBL4200797)	Inhibition of CYP2D6 (unknown origin)
50002484	8	ChEMBL_1765607 (CHEMBL4200854)	Binding affinity to ABL1 (64 to 515 residues) (unknown origin) expressed in Escherichia coli by ITC analysis
50002484	9	ChEMBL_1765482 (CHEMBL4200729)	Inhibition of recombinant human c-ABL SH1 domain expressed in sf9 insect cells after 30 mins in presence of [gamma-32P]ATP by autoradiography
50002484	10	ChEMBL_1765489 (CHEMBL4200736)	Inhibition of recombinant human c-ABL SH3/SH2/SH1 domain (46 to 515 residues) expressed in bacterial expression system using EAIYAAPFAKKK as substrate measured every 20 secs in presence of [gamma-32P]ATP
50002484	11	ChEMBL_1765548 (CHEMBL4200795)	Inhibition of CYP3A4 (unknown origin)
50002484	12	ChEMBL_1765483 (CHEMBL4200730)	Inhibition of recombinant human c-ABL SH3/SH2/SH1 domain (46 to 531 residues) expressed in sf9 insect cells after 30 mins in presence of [gamma-32P]ATP by autoradiography
50002484	13	ChEMBL_1765488 (CHEMBL4200735)	Inhibition of recombinant human c-ABL SH1 domain (46 to 515 residues) expressed in bacterial expression system using EAIYAAPFAKKK as substrate measured every 20 secs in presence of [gamma-32P]ATP
50002485	1	ChEMBL_1765633 (CHEMBL4200880)	Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assay
50002485	2	ChEMBL_1765635 (CHEMBL4200882)	Agonist activity at human TGR5 expressed in HEK293 cells assessed as increase in intracellular cAMP level by HTRF assay
50002485	3	ChEMBL_1765644 (CHEMBL4200891)	Inhibition of mouse IBAT expressed in COS cells assessed as reduction in [3H]taurocholic acid uptake
50002485	4	ChEMBL_1765642 (CHEMBL4200889)	Activation of human FXR
50002485	5	ChEMBL_1765643 (CHEMBL4200890)	Inhibition of human IBAT expressed in COS cells assessed as reduction in [3H]taurocholic acid uptake
50002486	1	ChEMBL_1765660 (CHEMBL4200907)	Inhibition of human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
50002486	2	ChEMBL_1765661 (CHEMBL4200908)	Inhibition of PDE1B catalytic domain (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
50002486	3	ChEMBL_1765662 (CHEMBL4200909)	Inhibition of PDE2A catalytic domain (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
50002486	4	ChEMBL_1765690 (CHEMBL4200937)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH
50002486	5	ChEMBL_1765664 (CHEMBL4200911)	Inhibition of PDE4D2 catalytic domain (86 to 413 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	6	ChEMBL_1765665 (CHEMBL4200912)	Inhibition of PDE6C catalytic domain (1 to 858 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
50002486	7	ChEMBL_1765668 (CHEMBL4200915)	Inhibition of PDE9A2 catalytic domain (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting
50002486	8	ChEMBL_1765669 (CHEMBL4200916)	Inhibition of PDE10A catalytic domain (449 to 770 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	9	ChEMBL_1765670 (CHEMBL4200917)	Inhibition of PDE11A catalytic domain (588 to 911 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	10	ChEMBL_1765686 (CHEMBL4200933)	Inhibition of human ERG expressed in CHO cells by automated patch clamp assay
50002486	11	ChEMBL_1765687 (CHEMBL4200934)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH
50002486	12	ChEMBL_1765666 (CHEMBL4200913)	Inhibition of PDE7A1 catalytic domain (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	13	ChEMBL_1765688 (CHEMBL4200935)	Inhibition of CYP2B6 in human liver microsomes in presence of NADPH
50002486	14	ChEMBL_1765663 (CHEMBL4200910)	Inhibition of PDE3A catalytic domain (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	15	ChEMBL_1765667 (CHEMBL4200914)	Inhibition of PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 using 3H-cAMP as substrate after 15 mins by liquid scintillation counting
50002486	16	ChEMBL_1765689 (CHEMBL4200936)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH
50002487	1	ChEMBL_1765700 (CHEMBL4200947)	Inhibition of mouse His-tagged IDE (42 to 1019 residues) using fluorophore/quencher-tagged RPPGFSAFK(Dnp)-OH peptide as substrate preincubated for 10 mins followed by substrate addition measured over 5 mins by TR-FRET assay
50002487	2	ChEMBL_1765701 (CHEMBL4200948)	Binding affinity to IDE E111Q mutant (unknown origin) using N-terminal FITC-labeled compound after 2 hrs in absence of light at 298 K by fluorescence polarization assay
50002488	1	ChEMBL_1765747 (CHEMBL4200994)	Inhibition of CYP2D6 (unknown origin)
50002488	2	ChEMBL_1765744 (CHEMBL4200991)	Inhibition of CYP1A2 (unknown origin)
50002488	3	ChEMBL_1765745 (CHEMBL4200992)	Inhibition of CYP2C19 (unknown origin)
50002488	4	ChEMBL_1765746 (CHEMBL4200993)	Inhibition of CYP2C9 (unknown origin)
50002488	5	ChEMBL_1765748 (CHEMBL4200995)	Inhibition of CYP3A4 (unknown origin)
50002488	6	ChEMBL_1765743 (CHEMBL4200990)	Inhibition of human ERG
50002489	1	ChEMBL_1765761 (CHEMBL4201008)	Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay
50002489	2	ChEMBL_1765762 (CHEMBL4201009)	Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay
50002490	1	ChEMBL_1765856 (CHEMBL4201103)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002490	2	ChEMBL_1765862 (CHEMBL4201109)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB E129A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002490	3	ChEMBL_1765859 (CHEMBL4201106)	Inhibition of human VHR using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002490	4	ChEMBL_1765858 (CHEMBL4201105)	Inhibition of human PTP1B using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002490	5	ChEMBL_1765863 (CHEMBL4201110)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002490	6	ChEMBL_1765861 (CHEMBL4201108)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50002491	1	ChEMBL_1765923 (CHEMBL4201170)	Inhibition of alpha-crystallin B R120G mutant (unknown origin)-induced intracellular protein aggregation expressed in human HeLa cells or HLE-B3 cells incubated for 6 to 8 hrs by fluorescence microscopy relative to untreated control
50002491	2	ChEMBL_1765951 (CHEMBL4201198)	Induction of redissolving of aggregated alpha-crystallin A Y118D mutant (unknown origin) incubated for 24 hrs by ThT-fluorescence based assay
50002491	3	ChEMBL_1765952 (CHEMBL4201199)	Induction of redissolving of aggregated alpha-crystallin B R120G mutant (unknown origin) incubated for 24 hrs by ThT-fluorescence based assay
50002492	1	ChEMBL_1765974 (CHEMBL4201221)	Inhibition of Rhinovirus B14 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	2	ChEMBL_1765977 (CHEMBL4201224)	Inhibition of Rhinovirus A02 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	3	ChEMBL_1765981 (CHEMBL4201228)	Inhibition of Rhinovirus A89 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	4	ChEMBL_1765980 (CHEMBL4201227)	Inhibition of Rhinovirus A85 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	5	ChEMBL_1765978 (CHEMBL4201225)	Inhibition of Rhinovirus A08 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	6	ChEMBL_1765979 (CHEMBL4201226)	Inhibition of Rhinovirus A28 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	7	ChEMBL_1765982 (CHEMBL4201229)	Inhibition of Rhinovirus B42 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002492	8	ChEMBL_1765983 (CHEMBL4201230)	Inhibition of Rhinovirus B70 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay
50002493	1	ChEMBL_1766073 (CHEMBL4201320)	Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of beta-arrestin1 recruitment measured for 5 mins by luminescence detection based BRET assay
50002493	2	ChEMBL_1766055 (CHEMBL4201302)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 uM pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.16 +/- 0.08 No_unit)
50002493	3	ChEMBL_1766049 (CHEMBL4201296)	Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting
50002493	4	ChEMBL_1766057 (CHEMBL4201304)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 x 10'-8M uM pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.59 +/- 0.12 No_unit)
50002493	5	ChEMBL_1766064 (CHEMBL4201311)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 x 10'-7M pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.16 +/- 0.08 No_unit)
50002493	6	ChEMBL_1766050 (CHEMBL4201297)	Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction
50002493	7	ChEMBL_1766071 (CHEMBL4201318)	Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activation measured for 5 mins by luminescence detection based BRET assay
50002493	8	ChEMBL_1766053 (CHEMBL4201300)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 uM pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.59 +/- 0.12 No_unit)
50002493	9	ChEMBL_1766058 (CHEMBL4201305)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 x 10'-7M uM pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.59 +/- 0.12 No_unit)
50002493	10	ChEMBL_1766062 (CHEMBL4201309)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 3 x 10'-9M pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.16 +/- 0.08 No_unit)
50002493	11	ChEMBL_1766063 (CHEMBL4201310)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 1 x 10'-8M pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.16 +/- 0.08 No_unit)
50002493	12	ChEMBL_1766069 (CHEMBL4201316)	Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation measured for 5 mins by luminescence detection based BRET assay
50002493	13	ChEMBL_1766061 (CHEMBL4201308)	Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for human urotensin-2-induced contraction at 3 x 10'-10M pre-incubated for 30 mins before urotensin-2 stimulation (Rvb = 8.16 +/- 0.08 No_unit)
50002494	1	ChEMBL_1766084 (CHEMBL4201331)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by Ellman's method
50002495	1	ChEMBL_1766151 (CHEMBL4201398)	Displacement of [3H]-5-CT from human serotonin 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr by radioligand binding assay
50002495	2	ChEMBL_1766152 (CHEMBL4201399)	Displacement of [3H]-8-OH-DPAT from human serotonin 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr by radioligand binding assay
50002496	1	ChEMBL_1766157 (CHEMBL4201404)	Inhibition of human ERG
50002497	1	ChEMBL_1766161 (CHEMBL4201408)	Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry
50002497	2	ChEMBL_1766159 (CHEMBL4201406)	Inhibition of Plasmodium falciparum DXR
50002498	1	ChEMBL_1766235 (CHEMBL4201482)	Inhibition of HIV1 envelope glycoprotein-mediated cell-cell fusion between HL2/3 cells stably expressing HIV Gag, Env, Tat, Rev and Nef proteins and human TZM-bl cells stably expressing high CD4 and CCR5 incubated for 6 to 8 hrs by luciferase reporter assay
50002498	2	ChEMBL_1766237 (CHEMBL4201484)	Inhibition of Ebola virus Sudan envelope glycoprotein-mediated cell entry in human HuH7 cells treated with 30 mins pre-treated pseudovirus/compopund mixture and measured after 72 hrs by luciferase reporter assay
50002499	1	ChEMBL_1766239 (CHEMBL4201486)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absence of FAAH inhibitor PMSF by radioligand binding assay
50002499	2	ChEMBL_1766240 (CHEMBL4201487)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presence of FAAH inhibitor PMSF by radioligand binding assay
50002499	3	ChEMBL_1766242 (CHEMBL4201489)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes in absence of FAAH inhibitor PMSF by radioligand binding assay
50002499	4	ChEMBL_1766241 (CHEMBL4201488)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes in absence of FAAH inhibitor PMSF by radioligand binding assay
50002499	5	ChEMBL_1766243 (CHEMBL4201490)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50002500	1	ChEMBL_1766273 (CHEMBL4201520)	Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma production measured after 20 hrs by ELISA
50002500	2	ChEMBL_1766264 (CHEMBL4201511)	Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post compound removal by flow cytometry
50002503	1	ChEMBL_1766307 (CHEMBL4201554)	Agonist activity at human mu opioid receptor expressed in human USOS-beta-arrestin-hMOR-PathHunter cells incubated for 90 mins by beta-arrestin-2 enzyme fragment complementation assay
50002503	2	ChEMBL_1766304 (CHEMBL4201551)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by scintillation counting method
50002504	1	ChEMBL_1766373 (CHEMBL4201620)	Agonist activity at human OTR expressed in HEK cells assessed as increase in intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
50002504	2	ChEMBL_1766354 (CHEMBL4201601)	Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay
50002504	3	ChEMBL_1766352 (CHEMBL4201599)	Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay
50002504	4	ChEMBL_1766353 (CHEMBL4201600)	Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay
50002504	5	ChEMBL_1766366 (CHEMBL4201613)	Displacement of DY647 from SNAP-tagged V1A receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay
50002504	6	ChEMBL_1766368 (CHEMBL4201615)	Antagonist activity at human V1A receptor expressed in HEK cells assessed as inhibition of AVP-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay relative to AVP
50002504	7	ChEMBL_1766369 (CHEMBL4201616)	Displacement of DY647 from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay
50002504	8	ChEMBL_1766372 (CHEMBL4201619)	Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay
50002504	9	ChEMBL_1766411 (CHEMBL4201658)	Agonist activity at human V2 receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
50002504	10	ChEMBL_1766417 (CHEMBL4201664)	Agonist activity at human V2 receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
50002504	11	ChEMBL_1766409 (CHEMBL4201656)	Agonist activity at human V1b receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
50002504	12	ChEMBL_1766403 (CHEMBL4201650)	Agonist activity at human OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
50002504	13	ChEMBL_1766405 (CHEMBL4201652)	Agonist activity at mouse OTR receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
50002504	14	ChEMBL_1766415 (CHEMBL4201662)	Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced calcium release by Aequorin based assay
50002504	15	ChEMBL_1766350 (CHEMBL4201597)	Antagonist activity at human V2 receptor expressed in human HeLa cells assessed as inhibition of AVP-induced cAMP accumulation incubated for 10 mins by radioimmunoassay
50002504	16	ChEMBL_1766340 (CHEMBL4201587)	Agonist activity at human V2 receptor expressed in human HeLa cells assessed as stimulation of cAMP accumulation by radioimmunoassay
50002504	17	ChEMBL_1766330 (CHEMBL4201577)	Displacement of [3H]AVP from V1B receptor in Wistar rat pituitary membranes incubated for 60 mins by microplate scintillation counting method
50002504	18	ChEMBL_1766323 (CHEMBL4201570)	Agonist activity at recombinant human OTR expressed in CHO-DUKX-A2 cells assessed as stimulation of intracellular calcium concentration by calcium 3 dye based FLIPR assay
50002504	19	ChEMBL_1766322 (CHEMBL4201569)	Displacement of [Tyrosyl-2,6-3H]oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells incubated for 180 mins by scintillation counting based whole cell radioligand binding assay
50002504	20	ChEMBL_1766376 (CHEMBL4201623)	Antagonist activity at human OTR expressed in HEK cells assessed as inhibition of OT-induced intracellular calcium flux incubated for 45 mins by Indo1-AM dye based fluorescence assay
50002504	21	ChEMBL_1766424 (CHEMBL4201671)	Antagonist activity at human V1a receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced response incubated for 30 mins by beta-arrestin recruitment assay
50002504	22	ChEMBL_1766418 (CHEMBL4201665)	Agonist activity at human OTR receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
50002504	23	ChEMBL_1766349 (CHEMBL4201596)	Antagonist activity at human V1B receptor expressed in human HeLa cells assessed as inhibition of AVP-induced cAMP accumulation incubated for 10 mins by radioimmunoassay
50002504	24	ChEMBL_1766342 (CHEMBL4201589)	Antagonist activity at V2 receptor (unknown origin)
50002504	25	ChEMBL_1766335 (CHEMBL4201582)	Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes
50002504	26	ChEMBL_1766326 (CHEMBL4201573)	Binding affinity to V2 receptor (unknown origin)
50002504	27	ChEMBL_1766429 (CHEMBL4201676)	Agonist activity at human OTR stably expressed in HEK cells by calcium flux assay
50002504	28	ChEMBL_1766351 (CHEMBL4201598)	Agonist activity at human V2 receptor expressed in human HeLa cells assessed as cAMP accumulation incubated for 10 mins by radioimmunoassay
50002504	29	ChEMBL_1766348 (CHEMBL4201595)	Antagonist activity at human V1A receptor expressed in human HeLa cells assessed as inhibition of AVP-induced cAMP accumulation incubated for 10 mins by radioimmunoassay
50002504	30	ChEMBL_1766346 (CHEMBL4201593)	Antagonist activity at V1A receptor (unknown origin) by cAMP accumulation assay
50002504	31	ChEMBL_1766345 (CHEMBL4201592)	Agonist activity at V2 receptor (unknown origin) by cAMP accumulation assay
50002504	32	ChEMBL_1766343 (CHEMBL4201590)	Antagonist activity at OXR receptor (unknown origin)
50002504	33	ChEMBL_1766341 (CHEMBL4201588)	Antagonist activity at V1A receptor (unknown origin)
50002504	34	ChEMBL_1766337 (CHEMBL4201584)	Displacement of [3H]-AVP from human V1A receptor expressed in human HeLa cell membranes incubated for 2 hrs by scintillation counting method
50002504	35	ChEMBL_1766336 (CHEMBL4201583)	Displacement of [3H]-oxytocin from OTR receptor in human USMC cell membranes
50002504	36	ChEMBL_1766334 (CHEMBL4201581)	Displacement of [3H]-AVP from human V1B receptor expressed in CHO cell membranes
50002504	37	ChEMBL_1766332 (CHEMBL4201579)	Displacement of [3H]OT from OTR in Wistar rat uterus membranes incubated for 60 mins by microplate scintillation counting method
50002504	38	ChEMBL_1766331 (CHEMBL4201578)	Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubated for 60 mins by microplate scintillation counting method
50002504	39	ChEMBL_1766328 (CHEMBL4201575)	Displacement of [tyrosyl-2,6-3H] oxytocin from OTR (unknown origin) expressed in HEK293 cell membranes incubated for 60 mins
50002504	40	ChEMBL_1766327 (CHEMBL4201574)	Displacement of [3H]-vasopressin from V1A receptor (unknown origin) expressed in HEK293 cell membranes incubated for 60 mins
50002504	41	ChEMBL_1766325 (CHEMBL4201572)	Binding affinity to V1B receptor (unknown origin)
50002504	42	ChEMBL_1766324 (CHEMBL4201571)	Binding affinity to V1A receptor (unknown origin)
50002504	43	ChEMBL_1766407 (CHEMBL4201654)	Agonist activity at human V1a receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay
50002504	44	ChEMBL_1766413 (CHEMBL4201660)	Antagonist activity at human V1a receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced calcium release by Aequorin based assay
50002504	45	ChEMBL_1766421 (CHEMBL4201668)	Agonist activity at human V1b receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay
50002504	46	ChEMBL_1766416 (CHEMBL4201663)	Antagonist activity at human V2 receptor expressed in HEK293FT cells assessed as inhibition of AVP-induced calcium release by Aequorin based assay
50002504	47	ChEMBL_1766426 (CHEMBL4201673)	Antagonist activity at human V2 receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assay
50002504	48	ChEMBL_1766321 (CHEMBL4201568)	Agonist activity at human OTR receptor expressed in CHO cells co-expressing NFAT-luciferase incubated for 5 hrs by luciferase reporter gene assay
50002504	49	ChEMBL_1766338 (CHEMBL4201585)	Displacement of [3H]-AVP from human V1B receptor expressed in human HeLa cell membranes incubated for 2 hrs by scintillation counting method
50002504	50	ChEMBL_1766347 (CHEMBL4201594)	Antagonist activity at OXR receptor in rat uterus
50002504	51	ChEMBL_1766344 (CHEMBL4201591)	Binding affinity to OTR receptor (unknown origin)
50002504	52	ChEMBL_1766339 (CHEMBL4201586)	Displacement of [3H]-AVP from human V2 receptor expressed in human HeLa cell membranes incubated for 2 hrs by scintillation counting method
50002504	53	ChEMBL_1766333 (CHEMBL4201580)	Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes
50002504	54	ChEMBL_1766329 (CHEMBL4201576)	Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubated for 60 mins by microplate scintillation counting method
50002504	55	ChEMBL_1766320 (CHEMBL4201567)	Agonist activity at human V2 receptor expressed in CHO cells co-expressing CRE-luciferase incubated for 5 hrs by luciferase reporter gene assay
50002504	56	ChEMBL_1766319 (CHEMBL4201566)	Antagonist activity at human OTR receptor expressed in HEK293FT cells assessed as inhibition of LIT-001-induced response incubated for 30 mins by beta-arrestin recruitment assay
50002505	1	ChEMBL_1766452 (CHEMBL4201699)	Inhibition of human ERG
50002506	1	ChEMBL_1766503 (CHEMBL4201750)	Activation of human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residues) expressed in BL21-RIL Escherichia coli assessed as SOS1-RAS complex formation by measuring exchange of GTP to BODIPY-GDP measured every 3 secs for 30 mins by nucleotide exchange assay
50002506	2	ChEMBL_1766505 (CHEMBL4201752)	Binding affinity to human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residues) expressed in BL21-RIL Escherichia coli by fluorescent probe S1 based fluorescence polarization anisotrophy saturation binding assay
50002506	3	ChEMBL_1766508 (CHEMBL4201755)	Activation of SOS1 in human HeLa cells expressing wild type KRAS assessed as induction of ERK1/2 T202/Y204 phosphorylation incubated for 30 mins by In-cell Western assay
50002506	4	ChEMBL_1766509 (CHEMBL4201756)	Activation of SOS1 in human NCI-H727 cells expressing KRAS G12V mutant assessed as induction of ERK1/2 T202/Y204 phosphorylation incubated for 30 mins by In-cell Western assay
50002506	5	ChEMBL_1766507 (CHEMBL4201754)	Binding affinity to human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residues) expressed in BL21-RIL Escherichia coli by fluorescent probe S2 based fluorescence polarization anisotrophy saturation binding assay
50002506	6	ChEMBL_1766506 (CHEMBL4201753)	Binding affinity to human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residues) expressed in BL21-RIL Escherichia coli by fluorescent probe S3 based fluorescence polarization anisotrophy saturation binding assay
50002507	1	ChEMBL_1766519 (CHEMBL4201766)	Inhibition of human BACE1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate measured after 2 hrs by FRET assay
50002508	1	ChEMBL_1766523 (CHEMBL4201770)	Inhibition of recombinant human PTP1B using pNPP as substrate assessed as residual activity after 30 mins by spectrometric method
50002509	1	ChEMBL_1766537 (CHEMBL4201784)	Inhibition of ROCK2 (unknown origin) using SKT S2 as substrate measured after 30 mins by HTRF assay
50002510	1	ChEMBL_1766552 (CHEMBL4201799)	Slow binding inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate
50002510	2	ChEMBL_1766556 (CHEMBL4201803)	Slow binding inhibition of human recombinant MMP9 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate
50002510	3	ChEMBL_1766557 (CHEMBL4201804)	Slow binding inhibition of human recombinant MMP14 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate
50002510	4	ChEMBL_1766545 (CHEMBL4201792)	Inhibition of recombinant human MMP2
50002510	5	ChEMBL_1766548 (CHEMBL4201795)	Inhibition of recombinant human MMP2 expressed in human HeLa cells
50002510	6	ChEMBL_1766555 (CHEMBL4201802)	Non-competitive inhibition of human recombinant MMP8 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate
50002510	7	ChEMBL_1766547 (CHEMBL4201794)	Non-competitive inhibition of MMP8 (unknown origin)
50002510	8	ChEMBL_1766546 (CHEMBL4201793)	Inhibition of recombinant human MMP9
50002510	9	ChEMBL_1766549 (CHEMBL4201796)	Inhibition of recombinant human MMP9 expressed in human HeLa cells
50002511	1	ChEMBL_1766580 (CHEMBL4201827)	Inhibition of His-6-tagged human KLK6 R74G/R76Q/N132Q mutant expressed in Escherichia coli DH10 pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins
50002511	2	ChEMBL_1766581 (CHEMBL4201828)	Inhibition of trypsin (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins
50002511	3	ChEMBL_1766582 (CHEMBL4201829)	Inhibition of thrombin (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins
50002511	4	ChEMBL_1766583 (CHEMBL4201830)	Inhibition of factor 10a (unknown origin) pre-incubated for 30 mins before N-Boc-FSR-AMC substrate addition and measured after 30 mins
50002511	5	ChEMBL_1766577 (CHEMBL4201824)	Inhibition of human KLK6 expressed in baculovirus/insect cell line system using Abz-KLRSSKQ-EDDnp substrate
50002511	6	ChEMBL_1766594 (CHEMBL4201841)	Inhibition of N-terminal FLAG-tagged and C-terminal His tagged pro-KLK4 (unknown origin) expressed in Escherichia coli in presence of thermolysin pre-incubated for 10 mins before Boc-FSR-AMC substrate addition and measured after 20 mins by fluorescence based assay
50002511	7	ChEMBL_1766596 (CHEMBL4201843)	Inhibition of KLK6 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002511	8	ChEMBL_1766597 (CHEMBL4201844)	Inhibition of KLK7 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Leu-Leu-Val-Tyr-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002511	9	ChEMBL_1766599 (CHEMBL4201846)	Inhibition of KLK13 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002511	10	ChEMBL_1766600 (CHEMBL4201847)	Inhibition of KLK14 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002511	11	ChEMBL_1766598 (CHEMBL4201845)	Inhibition of KLK8 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002511	12	ChEMBL_1766595 (CHEMBL4201842)	Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris pre-incubated for 10 mins before Boc-ValProArg-AMC substrate addition and measured after 30 mins by fluorescence based assay
50002513	1	ChEMBL_1766673 (CHEMBL4201920)	Inhibition of recombinant human CYP1B1 incubated for 45 mins using 7-ethyl-O-resorufin substrate in presence of NADPH regenerating system by fluorescence based ethoxyresorufin-O-deethylase assay
50002513	2	ChEMBL_1766674 (CHEMBL4201921)	Inhibition of recombinant human CYP1A1 incubated for 25 mins using 7-ethyl-O-resorufin substrate in presence of NADPH regenerating system by fluorescence based ethoxyresorufin-O-deethylase assay
50002514	1	ChEMBL_1766677 (CHEMBL4201924)	Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift assay
50002514	2	ChEMBL_1766678 (CHEMBL4201925)	Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility shift assay
50002514	3	ChEMBL_1766683 (CHEMBL4201930)	Inhibition of anti-IgM-stimulated BTK-mediated PLCgamma2 phosphorylation at Tyr1217 in human Ramos cells pre-incubated for 1 hr followed by anti-IgM stimulation for 10 mins by Western blotting
50002514	4	ChEMBL_1766690 (CHEMBL4201937)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by patch clamp method
50002514	5	ChEMBL_1766681 (CHEMBL4201928)	Inhibition of anti-IgM-stimulated BTK phosphorylation at Tyr551 in human Ramos cells pre-incubated for 1 hr followed by anti-IgM stimulation for 10 mins by Western blotting
50002514	6	ChEMBL_1766684 (CHEMBL4201931)	Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-stimulated B-cell activation by measuring CD86 expression
50002514	7	ChEMBL_1766682 (CHEMBL4201929)	Inhibition of anti-IgM-stimulated BTK phosphorylation at Tyr223 in human Ramos cells pre-incubated for 1 hr followed by anti-IgM stimulation for 10 mins by Western blotting
50002515	1	ChEMBL_1766763 (CHEMBL4202010)	Inhibition of human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry
50002515	2	ChEMBL_1766760 (CHEMBL4202007)	Inhibition of human recombinant ALDH1A1 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry
50002515	3	ChEMBL_1766761 (CHEMBL4202008)	Inhibition of human recombinant ALDH1A2 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry
50002515	4	ChEMBL_1766754 (CHEMBL4202001)	Non-competitive inhibition of human recombinant ALDH1A1 assessed as reduction of NAD(P)H formation using varying levels of NAD+
50002515	5	ChEMBL_1766804 (CHEMBL4202051)	Inhibition of ALDH1A3 in human PEO1 cells assessed as reduction in aldefluor positive cells incubated for 30 mins by aldefluor assay
50002515	6	ChEMBL_1766805 (CHEMBL4202052)	Inhibition of ALDH1A3 in human OVCAR5 cells assessed as reduction in aldefluor positive cells incubated for 30 mins by aldefluor assay
50002515	7	ChEMBL_1766758 (CHEMBL4202005)	Inhibition of ALDH1A1 in human MIAPaCa2 cells assessed as reduction in aldefluor positive cells up to 30 uM incubated for 30 mins by aldefluor assay
50002515	8	ChEMBL_1766743 (CHEMBL4201990)	Inhibition of ALDH (unknown origin)
50002515	9	ChEMBL_1766744 (CHEMBL4201991)	Inhibition of human ALDH1A1
50002515	10	ChEMBL_1766746 (CHEMBL4201993)	Inhibition of human ALDH1A3
50002515	11	ChEMBL_1766759 (CHEMBL4202006)	Inhibition of ALDH1A1 in human HT-29 cells assessed as reduction in aldefluor positive cells up to 30 uM incubated for 30 mins by aldefluor assay
50002515	12	ChEMBL_1766745 (CHEMBL4201992)	Inhibition of human ALDH1A2
50002516	1	ChEMBL_1766825 (CHEMBL4202072)	Competitive inhibition of bovine pancreas alpha-chymotrypsin using N-succinyl-Gly-Gly-Phe-p-nitroanilide as substrate incubated for 15 mins followed by substrate addition measured every 30 secs by double-reciprocal Lineweaver-Burk plot analysis
50002516	2	ChEMBL_1766816 (CHEMBL4202063)	Inhibition of bovine pancreas alpha-chymotrypsin using N-succinyl-Gly-Gly-Phe-p-nitroanilide as substrate incubated for 15 mins followed by substrate addition measured every 30 secs
50002517	1	ChEMBL_1766889 (CHEMBL4202136)	Displacement of [3H]reserpine from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50002517	2	ChEMBL_1766890 (CHEMBL4202137)	Displacement of [3H]DHTB from human VMAT2 expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting method
50002517	3	ChEMBL_1766897 (CHEMBL4202144)	Displacement of [3H](+)-syn-Ethyl 1-(2-(2,4-Dioxo-1,2-dihydroquinazolin-3(4H)-yl)ethyl)-4-(4-fluorophenyl)piperidine-3-carboxylate from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50002517	4	ChEMBL_1766898 (CHEMBL4202145)	Inhibition of human VMAT2 expressed in HEK293 cell membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addition and measured after 6 mins
50002517	5	ChEMBL_1766899 (CHEMBL4202146)	Inhibition of VMAT2 in C57Bl/6J mouse striatal membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addition and measured after 8 mins
50002517	6	ChEMBL_1766900 (CHEMBL4202147)	Displacement of [125I]DOI from human 5HT2A receptor expressed in HEK293 cell membranes
50002517	7	ChEMBL_1766901 (CHEMBL4202148)	Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cell membranes
50002517	8	ChEMBL_1766902 (CHEMBL4202149)	Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cell membranes
50002517	9	ChEMBL_1766903 (CHEMBL4202150)	Displacement of [125I]RTI-55 from human NET expressed in HEK293 cell membranes
50002517	10	ChEMBL_1766896 (CHEMBL4202143)	Binding affinity to human VMAT2 expressed in HEK293 cell membranes by scintillation counting method based saturation binding assay
50002518	1	ChEMBL_1766915 (CHEMBL4202162)	Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) assessed as reduction in arachidonic acid production from 2-arachidonoylglycerol pre-incubated for 60 mins by mass spectrometry
50002518	2	ChEMBL_1766917 (CHEMBL4202164)	Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) assessed as reduction in arachidonic acid production from 2-arachidonoylglycerol pre-incubated for 0 mins by mass spectrometry
50002518	3	ChEMBL_1766921 (CHEMBL4202168)	Inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay
50002520	1	ChEMBL_1766928 (CHEMBL4202175)	Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	2	ChEMBL_1766935 (CHEMBL4202182)	Antagonist activity at rat alpha2beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	3	ChEMBL_1766930 (CHEMBL4202177)	Antagonist activity at rat alpha6/alpha3beta4 nAChR nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	4	ChEMBL_1766937 (CHEMBL4202184)	Antagonist activity at rat alpha4beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	5	ChEMBL_1766938 (CHEMBL4202185)	Antagonist activity at rat alpha4beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	6	ChEMBL_1766939 (CHEMBL4202186)	Antagonist activity at rat alpha7 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	7	ChEMBL_1766934 (CHEMBL4202181)	Antagonist activity at rat alpha2beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	8	ChEMBL_1766936 (CHEMBL4202183)	Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002520	9	ChEMBL_1766940 (CHEMBL4202187)	Antagonist activity at rat alpha9alpha10 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetyl choline-induced membrane currents pre-incubated for 5 mins prior to acetyl choline pulse at -70 mV potential by two-electrode voltage clamp assay
50002521	1	ChEMBL_1766949 (CHEMBL4202196)	Inhibition of HIF-1alpha in human HRE-A549 cells pre-incubated for 1 hr before exposure to hypoxia for 24 hrs by HRE-luciferase reporter gene assay
50002522	1	ChEMBL_1766964 (CHEMBL4202211)	Binding affinity to hexahistidine-tagged recombinant human KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GDP
50002523	1	ChEMBL_1766968 (CHEMBL4202215)	Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulation by scintillation counting method
50002523	2	ChEMBL_1766969 (CHEMBL4202216)	Agonist activity at recombinant 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulation by scintillation counting method
50002523	3	ChEMBL_1766967 (CHEMBL4202214)	Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulation by scintillation counting method
50002524	1	ChEMBL_1766972 (CHEMBL4202219)	Inhibition of recombinant PDE10A (unknown origin) using cAMP/cGMP as substrate incubated for 60 mins by HTRF assay
50002525	1	ChEMBL_1766978 (CHEMBL4202225)	Agonist activity at human GPR40 expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay
50002527	1	ChEMBL_1766984 (CHEMBL4202231)	Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 measured after 30 mins by fluorescence assay
50002527	2	ChEMBL_1766982 (CHEMBL4202229)	Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 measured after 30 mins by fluorescence assay
50002527	3	ChEMBL_1766985 (CHEMBL4202232)	Inhibition of human HDAC10 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 measured after 30 mins by fluorescence assay
50002527	4	ChEMBL_1766981 (CHEMBL4202228)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 measured after 30 mins by fluorescence assay
50002528	1	ChEMBL_1767020 (CHEMBL4202267)	Displacement of N-Flu-DOT1L from MBP-tagged ENL (unknown origin) (489 to 559 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs by fluorescence polarization assay
50002528	2	ChEMBL_1767019 (CHEMBL4202266)	Displacement of N-Flu-DOT1L from MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs by fluorescence polarization assay
50002528	3	ChEMBL_1767021 (CHEMBL4202268)	Binding affinity to MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) by Bio-layer interferometry
50002528	4	ChEMBL_1767022 (CHEMBL4202269)	Binding affinity to MBP-tagged ENL (unknown origin) (489 to 559 residues) expressed in Escherichia coli BL21(DE3) by Bio-layer interferometry
50002529	1	ChEMBL_1767035 (CHEMBL4202282)	Agonist activity at GPER (unknown origin) expressed in human HL60 cells assessed as increase in cAMP accumulation in presence of IBMX after 15 mins by HTRF assay
50002530	1	ChEMBL_1767056 (CHEMBL4202303)	Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL-23 binding to receptor preincubated for 1 hr followed by biotinylated IL-23 addition measured after over night incubation by AlphaLISA assay
50002530	2	ChEMBL_1767055 (CHEMBL4202302)	Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as dissociation rate constant measured over 90 secs by surface plasmon resonance assay
50002530	3	ChEMBL_1767057 (CHEMBL4202304)	Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL-23 binding to receptor preincubated for 1 hr followed by biotinylated IL-23 addition measured after 1 hr by TR-FRET assay
50002530	4	ChEMBL_1767053 (CHEMBL4202300)	Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells measured over 90 secs by surface plasmon resonance assay
50002531	1	ChEMBL_1767058 (CHEMBL4202305)	Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol-1 as substrate incubated for 2 mins followed by substrate addition by spectrophotometric method
50002531	2	ChEMBL_1767069 (CHEMBL4202316)	Binding affinity to recombinant Trypanosoma brucei brucei 427 alternative oxidase expressed in Escherichia coli BL21 cells using ubiquinol-1 as substrate by spectrophotometric method
50002532	1	ChEMBL_1767070 (CHEMBL4202317)	Displacement of biotinylated acetylated peptide from recombinant human partial length CBP bromodomain (R1081 to G1197 residues) expressed in bacterial expression system measured after 1 hr by bromoscan method
50002532	2	ChEMBL_1767071 (CHEMBL4202318)	Displacement of Histone H4 peptide (1-21) K5/8/12/16Ac-Biotin from recombinant human N-terminal His-tagged CBP bromodomain expressed in Escherichia coli by Alphascreen assay
50002532	3	ChEMBL_1767073 (CHEMBL4202320)	Displacement of biotinylated acetylated peptide from poly His-tagged CBP bromodomain (unknown origin) expressed in Escherichia coli BL21(DE3) by Alphascreen assay
50002532	4	ChEMBL_1767072 (CHEMBL4202319)	Displacement of biotinylated acetylated peptide from poly His-tagged CBP bromodomain (unknown origin) expressed in Escherichia coli BL21(DE3) measured after 1 hr by bromoscan method
50002534	1	ChEMBL_1767076 (CHEMBL4202323)	Inhibition of recombinant human carbonic anhydrase 9 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay
50002534	2	ChEMBL_1767074 (CHEMBL4202321)	Inhibition of recombinant human carbonic anhydrase 1 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay
50002534	3	ChEMBL_1767075 (CHEMBL4202322)	Inhibition of recombinant human carbonic anhydrase 2 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay
50002534	4	ChEMBL_1767077 (CHEMBL4202324)	Inhibition of recombinant human carbonic anhydrase 12 incubated 15 mins prior to testing by CO2 hydration based stopped-flow assay
50002535	1	ChEMBL_1767095 (CHEMBL4202342)	Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of template/primer substrate and measured after 90 mins
50002536	1	ChEMBL_1767106 (CHEMBL4202353)	Inhibition of recombinant human GST-tagged PTP1B catalytic domain using para-nitrophenyl phosphate as substrate
50002537	1	ChEMBL_1767167 (CHEMBL4219279)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD3 bromodomain 2 (306 to 417residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002537	2	ChEMBL_1767168 (CHEMBL4219280)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002537	3	ChEMBL_1767164 (CHEMBL4219276)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD2 bromodomain 1 (72 to 205 residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002537	4	ChEMBL_1767165 (CHEMBL4219277)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD2 bromodomain 2 (349 to 460 residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002537	5	ChEMBL_1767166 (CHEMBL4219278)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD3 bromodomain 1 (24 to 144 residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002537	6	ChEMBL_1767169 (CHEMBL4219281)	Inhibition of FAM-labeled ZBA248 binding to recombinant N-terminal His6-tagged BRD4 bromodomain 2 (333 to 460 residues) (unknown origin) expressed in Escherichia coli Rosetta2 DE3 after 30 mins by fluorescence polarization assay
50002538	1	ChEMBL_1767246 (CHEMBL4219358)	Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in CHOK1 cell membranes after 90 mins
50002538	2	ChEMBL_1767245 (CHEMBL4219357)	Displacement of [3H]Nalpha-Methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting analysis
50002538	3	ChEMBL_1767254 (CHEMBL4219366)	Inhibition of recombinant human CYP3A4 using Luciferin-BE as substrate in presence of NADPH by P450-Glo luminescence assay
50002538	4	ChEMBL_1767249 (CHEMBL4219361)	Binding affinity to rat histamine H3 receptor
50002538	5	ChEMBL_1767247 (CHEMBL4219359)	Antagonist activity at recombinant human histamine H3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation after 30 mins by TR-FRET TR-FRET assay
50002538	6	ChEMBL_1767248 (CHEMBL4219360)	Binding affinity to human histamine H3 receptor
50002539	1	ChEMBL_1767310 (CHEMBL4219422)	Inhibition of recombinant human His10-tagged Sirt3 (118 to 395 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate measured after 4 hrs by high-throughput fluorescence based assay
50002539	2	ChEMBL_1767309 (CHEMBL4219421)	Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate measured after 4 hrs by high-throughput fluorescence based assay
50002539	3	ChEMBL_1767308 (CHEMBL4219420)	Inhibition of recombinant human GST-tagged Sirt1 (133 to 747 residues) using Z-(Ac)Lys-AMC as substrate measured after 4 hrs by high-throughput fluorescence based assay
50002541	1	ChEMBL_1767340 (CHEMBL4219452)	Displacement of Fluormone ES2 Green from full-length estrogen receptor alpha (unknown origin) after 2 hrs by fluorescence polarization assay
50002541	2	ChEMBL_1767357 (CHEMBL4219469)	Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length untagged estrogen receptor beta expressed in insect cells by fluorescence polarization assay
50002541	3	ChEMBL_1767338 (CHEMBL4219450)	Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor alpha after 2 hrs by fluorescence polarization assay
50002541	4	ChEMBL_1767339 (CHEMBL4219451)	Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence polarization assay
50002541	5	ChEMBL_1767345 (CHEMBL4219457)	Antagonist activity at estrogen receptor alpha/beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay
50002541	6	ChEMBL_1767359 (CHEMBL4219471)	Antagonist activity at estrogen receptor beta in human Ishikawa cells after 72 hrs by alkaline phosphatase assay
50002541	7	ChEMBL_1767356 (CHEMBL4219468)	Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length untagged estrogen receptor alpha expressed in Spodoptera frugiperda by fluorescence polarization assay
50002541	8	ChEMBL_1767341 (CHEMBL4219453)	Displacement of Fluormone ES2 Green from full-length estrogen receptor beta (unknown origin) after 2 hrs by fluorescence polarization assay
50002543	1	ChEMBL_1767364 (CHEMBL4219476)	Displacement of [17-alpha-methyl-H-3] mibolerone from wild-type androgen receptor (unknown origin) expressed in human Freestyle293F cells measured after 3 hrs
50002543	2	ChEMBL_1767363 (CHEMBL4219475)	Binding affinity to androgen receptor (unknown origin)
50002544	1	ChEMBL_1767415 (CHEMBL4219527)	Binding affinity to N-terminal His6-tagged recombinant human Brd4 BD2 expressed in Escherichia coli BL21 (DE3) assessed as compound binary complex formation by isothermal titration calorimetry-based assay
50002544	2	ChEMBL_1767416 (CHEMBL4219528)	Binding affinity to N-terminal His6-tagged recombinant human VHL (54 to 213 residues)/elongin C (17 to 112 residues)/elongin B (1 to 104 residues) expressed in Escherichia coli BL21 (DE3) assessed as compound binary complex formation by isothermal titration calorimetry-based assay
50002544	3	ChEMBL_1767430 (CHEMBL4219542)	Binding affinity to human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by isothermal titration calorimetry-based assay
50002545	1	ChEMBL_1767469 (CHEMBL4219581)	Displacement of [3H]Ro15-1788 from human GABAA receptor alpha2beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	2	ChEMBL_1767515 (CHEMBL4219627)	Inhibition of 5-HT3 receptor (unknown origin)
50002545	3	ChEMBL_1767441 (CHEMBL4219553)	Inhibition of recombinant human 5-HT3A receptor expressed in HEK293 cell membranes using 5-HT as substrate in presence of [3H]GR65630
50002545	4	ChEMBL_1767434 (CHEMBL4219546)	Positive allosteric modulation of human alpha2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydrobromide addition by fluorometric analysis
50002545	5	ChEMBL_1767510 (CHEMBL4219622)	Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current response after 18 to 24 hrs by membrane potential blue dye based FLIPR assay
50002545	6	ChEMBL_1767440 (CHEMBL4219552)	Positive allosteric modulation of human (alpha4beta2)2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydrobromide addition by fluorometric analysis
50002545	7	ChEMBL_1767446 (CHEMBL4219558)	Inhibition of human 5-HT3AE receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay
50002545	8	ChEMBL_1767451 (CHEMBL4219563)	Agonist activity at human 5-HT43AB receptor expressed in Xenopus laevis oocytes
50002545	9	ChEMBL_1767450 (CHEMBL4219562)	Agonist activity at human 5-HT43A receptor expressed in Xenopus laevis oocytes
50002545	10	ChEMBL_1767448 (CHEMBL4219560)	Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 cells by scintillation counting method
50002545	11	ChEMBL_1767447 (CHEMBL4219559)	Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method
50002545	12	ChEMBL_1767444 (CHEMBL4219556)	Inhibition of human 5-HT3AB receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay
50002545	13	ChEMBL_1767443 (CHEMBL4219555)	Inhibition of human 5-HT3A receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay
50002545	14	ChEMBL_1767442 (CHEMBL4219554)	Agonist activity at rat brain membrane alpha7 nAChR
50002545	15	ChEMBL_1767436 (CHEMBL4219548)	Positive allosteric modulation of human alpha4beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydrobromide addition by fluorometric analysis
50002545	16	ChEMBL_1767435 (CHEMBL4219547)	Positive allosteric modulation of human alpha2beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydrobromide addition by fluorometric analysis
50002545	17	ChEMBL_1767432 (CHEMBL4219544)	Inhibition of human alpha7 nAChR expressed in Xenopus oocytes at -80 mV holding potential by electro-physiological analysis
50002545	18	ChEMBL_1767454 (CHEMBL4219566)	Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin)
50002545	19	ChEMBL_1767457 (CHEMBL4219569)	Positive allosteric modulation of recombinant wild type GABAA receptor alpha2beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as potentiation of GABA induced chloride current response treated every 30 secs measured for 2 to 3 secs by patch clamp method
50002545	20	ChEMBL_1767462 (CHEMBL4219574)	Agonist activity at recombinant human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiological method
50002545	21	ChEMBL_1767464 (CHEMBL4219576)	Agonist activity at GABAA receptor in Sprague-Dawley rat forebrain membranes assessed as enhancement of [3H]muscimol binding after 2 hrs by radiometric analysis
50002545	22	ChEMBL_1767466 (CHEMBL4219578)	Displacement of [3H]Ro15-1788 from human GABAA receptor alpha1beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	23	ChEMBL_1767470 (CHEMBL4219582)	Displacement of [3H]Ro15-1788 from human GABAA receptor alpha3beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	24	ChEMBL_1767471 (CHEMBL4219583)	Displacement of [3H]Ro15-4313 from human GABAA receptor alpha4beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	25	ChEMBL_1767473 (CHEMBL4219585)	Displacement of [3H]Ro15-1788 from human GABAA receptor alpha6beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	26	ChEMBL_1767479 (CHEMBL4219591)	Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha1beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50002545	27	ChEMBL_1767481 (CHEMBL4219593)	Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha3beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50002545	28	ChEMBL_1767499 (CHEMBL4219611)	Inhibition of recombinant human glycine receptor alpha1beta expressed in HEK293 cells
50002545	29	ChEMBL_1767500 (CHEMBL4219612)	Inhibition of recombinant human glycine receptor alpha2beta expressed in HEK293 cells
50002545	30	ChEMBL_1767501 (CHEMBL4219613)	Inhibition of recombinant human glycine receptor alpha3beta expressed in HEK293 cells
50002545	31	ChEMBL_1767508 (CHEMBL4219620)	Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current response after 18 to 24 hrs by membrane potential blue dye based FLIPR assay
50002545	32	ChEMBL_1767509 (CHEMBL4219621)	Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response after 18 to 24 hrs by membrane potential blue dye based FLIPR assay
50002545	33	ChEMBL_1767512 (CHEMBL4219624)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50002545	34	ChEMBL_1767513 (CHEMBL4219625)	Inhibition of alpha4beta2 nAChR (unknown origin)
50002545	35	ChEMBL_1767514 (CHEMBL4219626)	Agonist activity at 5-HT3 receptor (unknown origin)
50002545	36	ChEMBL_1767518 (CHEMBL4219630)	Inhibition of C57BL/6 mouse GABAA receptor alpha1beta3gamma2
50002545	37	ChEMBL_1767507 (CHEMBL4219619)	Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response after 18 to 24 hrs by membrane potential blue dye based FLIPR assay
50002545	38	ChEMBL_1767517 (CHEMBL4219629)	Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 assessed as increase in GABA-induced current response at -60 mV holding potential by whole cell patch-clamp method relative to GABA
50002545	39	ChEMBL_1767455 (CHEMBL4219567)	Positive allosteric modulation of recombinant wild type GABAA receptor alpha3beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as potentiation of GABA induced chloride current response treated every 30 secs measured for 2 to 3 secs by patch clamp method
50002545	40	ChEMBL_1767482 (CHEMBL4219594)	Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha5beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50002545	41	ChEMBL_1767433 (CHEMBL4219545)	Antagonist activity at 5-HT3A receptor (unknown origin) assessed as inhibition of serotonin-induced peak currents
50002545	42	ChEMBL_1767453 (CHEMBL4219565)	Positive allosteric modulation of GABAA receptor alpha4beta2delta (unknown origin)
50002545	43	ChEMBL_1767461 (CHEMBL4219573)	Agonist activity at recombinant human GABAA receptor alpha1beta1gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiological method
50002545	44	ChEMBL_1767472 (CHEMBL4219584)	Displacement of [3H]Ro15-1788 from human GABAA receptor alpha5beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -60 mV holding potential by two-electrode voltage clamp assay
50002545	45	ChEMBL_1767480 (CHEMBL4219592)	Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha2beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50002545	46	ChEMBL_1767497 (CHEMBL4219609)	Positive allosteric modulation of recombinant human glycine receptor alpha1 expressed in HEK293 cells assessed as increase in glycine-induced current at -60 mV holding potential by whole cell patch-clamp method
50002545	47	ChEMBL_1767502 (CHEMBL4219614)	Positive allosteric modulation of recombinant human glycine receptor alpha3 expressed in CHOK1 cells at -60 mV holding potential by whole cell patch-clamp method
50002545	48	ChEMBL_1767516 (CHEMBL4219628)	Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta2gamma2 assessed as increase in GABA-induced current response at -60 mV holding potential by whole cell patch-clamp method relative to GABA
50002545	49	ChEMBL_1767449 (CHEMBL4219561)	Displacement of [3H]granisetron from human 5-HT3AB receptor expressed in HEK293 cells by scintillation counting method
50002545	50	ChEMBL_1767445 (CHEMBL4219557)	Inhibition of human 5-HT3AC receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay
50002545	51	ChEMBL_1767437 (CHEMBL4219549)	Positive allosteric modulation of human alpha4beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydrobromide addition by fluorometric analysis
50002545	52	ChEMBL_1767463 (CHEMBL4219575)	Agonist activity at recombinant human GABAA receptor alpha2beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiological method
50002548	1	ChEMBL_1767523 (CHEMBL4219635)	Inhibition of His-tagged VHL/elongin B/elongin C (unknown origin) interaction with HIF1alpha preincubated for 10 mins followed by fluorescin labelled HIF1alpha peptide addition measured after 2 hrs by fluorescence polarization assay
50002548	2	ChEMBL_1767519 (CHEMBL4219631)	Binding affinity to human full length wild-type TBK1 expressed in mammalian expression system
50002548	3	ChEMBL_1767528 (CHEMBL4219640)	Inhibition of TBK1 (unknown origin)
50002548	4	ChEMBL_1767530 (CHEMBL4219642)	Binding affinity to human full length wild-type IKKepsilon expressed in mammalian expression system
50002548	5	ChEMBL_1767529 (CHEMBL4219641)	Inhibition of IKKepsilon (unknown origin)
50002549	1	ChEMBL_1767573 (CHEMBL4219685)	Binding affinity to human SERT
50002549	2	ChEMBL_1767604 (CHEMBL4219716)	Inhibition of rat brain DAT assessed as reduction of [3H]-DA re-uptake preincubated for 30 mins followed by [3H]-DA addition measured after 5 mins by scintillation counting
50002549	3	ChEMBL_1767549 (CHEMBL4219661)	Binding affinity to SERT (unknown origin)
50002549	4	ChEMBL_1767550 (CHEMBL4219662)	Binding affinity to NET (unknown origin)
50002549	5	ChEMBL_1767551 (CHEMBL4219663)	Binding affinity to DAT (unknown origin)
50002549	6	ChEMBL_1767556 (CHEMBL4219668)	Inhibition of human DAT expressed in HEK cells assessed as reduction of [3H]-DA uptake preincubated for 10 mins followed by [3H]5-HT addition measured after 10 mins by scintillation counting method
50002549	7	ChEMBL_1767568 (CHEMBL4219680)	Inhibition of SERT (unknown origin)-mediated uptake
50002549	8	ChEMBL_1767583 (CHEMBL4219695)	Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting
50002549	9	ChEMBL_1767585 (CHEMBL4219697)	Inhibition of human SERT expressed in CHO cells assessed as reduction of [3H]-5-HT re-uptake preincubated for 10 mins followed by [3H]-5-HT addition measured after 10 mins by liquid scintillation counting
50002549	10	ChEMBL_1767600 (CHEMBL4219712)	Inhibition of NET (unknown origin) assessed as reduction of [3H]-NE re-uptake
50002549	11	ChEMBL_1767582 (CHEMBL4219694)	Binding affinity to human SERT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting
50002549	12	ChEMBL_1767572 (CHEMBL4219684)	Binding affinity to human DAT
50002549	13	ChEMBL_1767574 (CHEMBL4219686)	Binding affinity to human NET
50002549	14	ChEMBL_1767587 (CHEMBL4219699)	Inhibition of human DAT expressed in CHO cells assessed as reduction of [3H]-DA re-uptake preincubated for 10 mins followed by [3H]-DA addition measured after 10 mins by liquid scintillation counting
50002549	15	ChEMBL_1767586 (CHEMBL4219698)	Inhibition of human NET expressed in CHO cells assessed as reduction of [3H]-NE re-uptake preincubated for 10 mins followed by [3H]-NE addition measured after 10 mins by liquid scintillation counting
50002549	16	ChEMBL_1767602 (CHEMBL4219714)	Inhibition of rat brain SERT assessed as reduction of [3H]5-HT re-uptake preincubated for 30 mins followed by [3H]5-HT addition measured after 5 mins by scintillation counting
50002549	17	ChEMBL_1767555 (CHEMBL4219667)	Inhibition of human SERT expressed in HEK cells assessed as reduction of [3H]5-HT uptake preincubated for 10 mins followed by [3H]5-HT addition measured after 10 mins by scintillation counting method
50002549	18	ChEMBL_1767545 (CHEMBL4219657)	Inhibition of DAT (unknown origin)-mediated uptake
50002549	19	ChEMBL_1767546 (CHEMBL4219658)	Inhibition of NET (unknown origin)-mediated uptake
50002549	20	ChEMBL_1767584 (CHEMBL4219696)	Binding affinity to human DAT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting
50002549	21	ChEMBL_1767599 (CHEMBL4219711)	Inhibition of SERT (unknown origin) assessed as reduction of [3H]5-HT re-uptake
50002549	22	ChEMBL_1767601 (CHEMBL4219713)	Inhibition of DAT (unknown origin) assessed as reduction of [3H]-DA re-uptake
50002549	23	ChEMBL_1767603 (CHEMBL4219715)	Inhibition of rat brain NET assessed as reduction of [3H]-NE re-uptake preincubated for 30 mins followed by [3H]-NE addition measured after 5 mins by scintillation counting
50002549	24	ChEMBL_1767557 (CHEMBL4219669)	Inhibition of human NET expressed in HEK cells assessed as reduction of [3H]-NE uptake preincubated for 10 mins followed by [3H]5-HT addition measured after 10 mins by scintillation counting method
50002550	1	ChEMBL_1767769 (CHEMBL4219881)	Displacement of FAM-labeled HIF-1alpha peptide from VBC (unknown origin) by fluorescence polarization assay
50002550	2	ChEMBL_1767784 (CHEMBL4219896)	Binding affinity to VBC (unknown origin) at 50 uM at 20 degC by surface plasmon resonance assay
50002550	3	ChEMBL_1767770 (CHEMBL4219882)	Binding affinity to VHL (unknown origin)/elongin C (unknown origin)/elongin B (unknown origin) by isothermal titration calorimetry-based assay
50002550	4	ChEMBL_1767778 (CHEMBL4219890)	Binding affinity to VBC (unknown origin) at 50 uM at 10 degC by surface plasmon resonance assay
50002551	1	ChEMBL_1767813 (CHEMBL4219925)	Inhibition of human GlyT-1
50002551	2	ChEMBL_1767789 (CHEMBL4219901)	Inhibition of human GlyT-2 expressed in HEK293 cells assessed as reduction in [3H]-glycine uptake preincubated for 30 mins followed by 3H]-glycine addition measured after 30 mins by liquid scintillation counting method
50002551	3	ChEMBL_1767790 (CHEMBL4219902)	Inhibition of human GlyT-1 expressed in HEK293 cells assessed as reduction in [3H]-glycine uptake preincubated for 30 mins followed by 3H]-glycine addition measured after 30 mins by liquid scintillation counting method
50002551	4	ChEMBL_1767794 (CHEMBL4219906)	Inhibition of human GlyT-1 expressed in CHO cells assessed as reduction in [3H]-glycine uptake
50002551	5	ChEMBL_1767802 (CHEMBL4219914)	Inhibition of human GlyT-2 expressed in HEK293 cells assessed as reduction in [3H]-glycine uptake
50002551	6	ChEMBL_1767803 (CHEMBL4219915)	Inhibition of human GlyT-2
50002551	7	ChEMBL_1767804 (CHEMBL4219916)	Antagonist activity at human 5-HT2A
50002551	8	ChEMBL_1767817 (CHEMBL4219929)	Positive allosteric modulation of human GlyRalpha1beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	9	ChEMBL_1767819 (CHEMBL4219931)	Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	10	ChEMBL_1767820 (CHEMBL4219932)	Positive allosteric modulation of mouse GlyRalpha1 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	11	ChEMBL_1767821 (CHEMBL4219933)	Positive allosteric modulation of mouse GlyRalpha3 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	12	ChEMBL_1767830 (CHEMBL4219942)	Positive allosteric modulation of human GlyRalpha3beta expressed in CHO cells assessed as potentiation of EC20 glycine-induced ion flux by HT assay
50002551	13	ChEMBL_1767833 (CHEMBL4219945)	Positive allosteric modulation of human GlyRalpha3 expressed in HEK293 cells assessed as potentiation of glycine-induced current flux by electrophysiology method
50002551	14	ChEMBL_1767835 (CHEMBL4219947)	Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potentiation of glycine-induced response
50002551	15	ChEMBL_1767801 (CHEMBL4219913)	Inhibition of GlyT-2 (unknown origin)
50002551	16	ChEMBL_1767818 (CHEMBL4219930)	Positive allosteric modulation of human GlyRalpha3 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	17	ChEMBL_1767816 (CHEMBL4219928)	Positive allosteric modulation of human GlyRalpha1 expressed in HEK293 cells assessed as potentiation of glycine-induced calcium flux by calcium dye-5 based FLIPR assay
50002551	18	ChEMBL_1767793 (CHEMBL4219905)	Inhibition of human GlyT-2 expressed in CHO cells assessed as reduction in [3H]-glycine uptake
50002552	1	ChEMBL_1767890 (CHEMBL4220002)	Inhibition of Bcl-xL (unknown origin)
50002552	2	ChEMBL_1767889 (CHEMBL4220001)	Inhibition of Bcl2 (unknown origin)
50002553	1	ChEMBL_1767895 (CHEMBL4220007)	Displacement of [TyrA14-125I]-human insulin from human insulin receptor isoform A expressed in baby hamster kidney cells after 2 days by gamma counting method
50002553	2	ChEMBL_1767894 (CHEMBL4220006)	Agonist activity at B6D2F1 mouse insulin receptor assessed as increase in glucose incorporation into lipid phase after 2 hrs in presence of D-[3-3H]glucose by TopCount microplate scintillation counting method
50002554	1	ChEMBL_1767900 (CHEMBL4220012)	Inhibition of Nav1.6 (unknown origin)
50002554	2	ChEMBL_1767897 (CHEMBL4220009)	Inhibition of human Nav1.7 expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method
50002554	3	ChEMBL_1767896 (CHEMBL4220008)	Inhibition of TRPV6 (unknown origin) expressed in HEK293 cells by whole cell patch clamp assay
50002554	4	ChEMBL_1767899 (CHEMBL4220011)	Inhibition of Nav1.5 (unknown origin) expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method
50002554	5	ChEMBL_1767901 (CHEMBL4220013)	Inhibition of human Nav1.7 expressed in HEK293 cells at -80 mV holding potential by QPatch assay
50002554	6	ChEMBL_1767902 (CHEMBL4220014)	Inhibition of nAChR epsilon (unknown origin)
50002554	7	ChEMBL_1767898 (CHEMBL4220010)	Inhibition of Nav1.2 (unknown origin) expressed in xenopus oocytes at -80 mV holding potential by two-electrode voltage-clamp method
50002555	1	ChEMBL_1767906 (CHEMBL4220018)	Inhibition of PDK1 (unknown origin) after 1 hr in presence of Ser/Thr-07 by fluorometric assay
50002555	2	ChEMBL_1768060 (CHEMBL4220172)	Inhibition of PDK1 (unknown origin) by TR-FRET assay
50002555	3	ChEMBL_1767916 (CHEMBL4220028)	Inhibition of PDK1 mediated PI3K/Akt/mTOR pathway activation in human AN3CA cells assessed as reduction in ribosomal p70S6 protein phosphorylation after 2 hrs by in-cell Western blotting analysis
50002557	1	ChEMBL_1768062 (CHEMBL4220174)	Agonist activity at mouse GLP1 receptor expressed in CHO cells assessed as increase in cAMP level by TR-FRET assay
50002557	2	ChEMBL_1768071 (CHEMBL4220183)	Agonist activity at human GIP receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter gene assay
50002557	3	ChEMBL_1768069 (CHEMBL4220181)	Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter gene assay
50002557	4	ChEMBL_1768065 (CHEMBL4220177)	Agonist activity at human GLP1 receptor expressed in CHO cells assessed as increase in cAMP level by TR-FRET assay
50002557	5	ChEMBL_1768063 (CHEMBL4220175)	Agonist activity at mouse GCG receptor expressed in CHO cells assessed as increase in cAMP level by TR-FRET assay
50002557	6	ChEMBL_1768070 (CHEMBL4220182)	Agonist activity at human GCG receptor expressed in HEK293 cells assessed as increase in cAMP level after 5 hrs by CRE driven luciferase reporter gene assay
50002557	7	ChEMBL_1768066 (CHEMBL4220178)	Agonist activity at human GCG receptor expressed in CHO cells assessed as increase in cAMP level by TR-FRET assay
50002559	1	ChEMBL_1768132 (CHEMBL4220244)	Inhibition of CDK8 (unknown origin)
50002559	2	ChEMBL_1768107 (CHEMBL4220219)	Inhibition of CDK8/CCNC (unknown origin) using RBER-IRStide as substrate in presence of [gamma33P]ATP by radiometric method
50002559	3	ChEMBL_1768139 (CHEMBL4220251)	Inhibition of mouse FLK1 (785 to 1367 residues) expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay
50002559	4	ChEMBL_1768131 (CHEMBL4220243)	Inhibition of p21 (unknown origin)-induced transcription in human HT1080 p21-9-CMV-GFP cells after 3 days by fluorescence assay
50002559	5	ChEMBL_1768104 (CHEMBL4220216)	Inhibition of CDK8/Cyclin-C (unknown origin) in presence of [gamma33P]ATP by radiometric method
50002559	6	ChEMBL_1768133 (CHEMBL4220245)	Inhibition of CDK19 (unknown origin)
50002559	7	ChEMBL_1768134 (CHEMBL4220246)	Inhibition of CDK8/Cyclin-C in R848-stimulated mouse BMDC assessed as upregulation of IL-10 level
50002559	8	ChEMBL_1768135 (CHEMBL4220247)	Inhibition of recombinant Raf-1 (305 to 648 residues) (unknown origin) expressed in baculovirus expression system using MEk1 as substrate after 25 mins in presence of [gamma33P]ATP by beta plate counting method
50002559	9	ChEMBL_1768137 (CHEMBL4220249)	Inhibition of recombinant BRAF (409 to 765 residues) V599E mutant (unknown origin) expressed in baculovirus expression system using MEk1 as substrate after 25 mins in presence of [gamma33P]ATP by beta plate counting method
50002559	10	ChEMBL_1768138 (CHEMBL4220250)	Inhibition of human VEGFR2 expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay
50002559	11	ChEMBL_1768141 (CHEMBL4220253)	Inhibition of CDK8 (unknown origin) expressed in human 7dF3 cells harboring TCF/LEF WNT-reporter assessed as inhibition of Wnt pathway after 24 hrs by luciferase reporter gene assay
50002559	12	ChEMBL_1768142 (CHEMBL4220254)	Inhibition of CDK8 in human LS174T cells harboring TCF/LEF WNT-reporter assessed as inhibition of Wnt pathway after 24 hrs by luciferase reporter gene assay
50002559	13	ChEMBL_1768144 (CHEMBL4220256)	Inhibition of FLT4 (unknown origin)
50002559	14	ChEMBL_1768145 (CHEMBL4220257)	Inhibition of PDGFRbeta (unknown origin)
50002559	15	ChEMBL_1768147 (CHEMBL4220259)	Inhibition of KIT (unknown origin)
50002559	16	ChEMBL_1768109 (CHEMBL4220221)	Inhibition of ROCK1 (unknown origin)
50002559	17	ChEMBL_1768120 (CHEMBL4220232)	Inhibition of CDK9 (unknown origin) in presence of [gamma33P]ATP by radiometric method
50002559	18	ChEMBL_1768136 (CHEMBL4220248)	Inhibition of recombinant BRAF (409 to 765 residues) (unknown origin) expressed in baculovirus expression system using MEk1 as substrate after 25 mins in presence of [gamma33P]ATP by beta plate counting method
50002559	19	ChEMBL_1768108 (CHEMBL4220220)	Inhibition of CDK19 (unknown origin) in presence of [gamma33P]ATP by radiometric method
50002559	20	ChEMBL_1768128 (CHEMBL4220240)	Inhibition of CDK19/Cyclin-C (unknown origin) in presence of [gamma33P]ATP by radiometric method
50002559	21	ChEMBL_1768140 (CHEMBL4220252)	Inhibition of human N-terminal GST/His6-tagged FLT3 (R571 to S993 residues) expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay
50002559	22	ChEMBL_1768143 (CHEMBL4220255)	Inhibition of FLT1 (unknown origin)
50002559	23	ChEMBL_1768146 (CHEMBL4220258)	Inhibition of CSF1R (unknown origin)
50002559	24	ChEMBL_1768110 (CHEMBL4220222)	Inhibition of ROCK2 (unknown origin)
50002560	1	ChEMBL_1768163 (CHEMBL4220275)	Inhibition of yeast ODCase
50002560	2	ChEMBL_1768164 (CHEMBL4220276)	Inhibition of Methanobacterium thermoautotrophicum ODCase
50002560	3	ChEMBL_1768165 (CHEMBL4220277)	Inhibition of human ODCase
50002561	1	ChEMBL_1768173 (CHEMBL4220285)	Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount micro scintillation analysis
50002562	1	ChEMBL_1768207 (CHEMBL4220319)	Inhibition of recombinant human FLAG-tagged p38alpha expressed in baculovirus expression system using GFP-ATF2 (19 to 96 residues) as substrate preincubated for 5 mins followed by ATP addition measured after 20 mins by TR-FRET assay
50002562	2	ChEMBL_1768208 (CHEMBL4220320)	Inhibition of MAPK p38 in human THP1 cells assessed as reduction in LPS-induced TNFalpha production preincubated for 60 mins followed by LPS addition measured after 4 hrs by HTRF assay
50002566	1	ChEMBL_1768224 (CHEMBL4220336)	Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based FLIPR assay
50002568	1	ChEMBL_1768232 (CHEMBL4220344)	Inhibition of CSF1R (unknown origin)
50002568	2	ChEMBL_1768237 (CHEMBL4220349)	Inhibition of FLT3 (unknown origin)
50002568	3	ChEMBL_1768239 (CHEMBL4220351)	Inhibition of TYK2 (unknown origin)
50002568	4	ChEMBL_1768240 (CHEMBL4220352)	Inhibition of CSF1R signaling in human PBMC assessed as reduction in M-CSF-induced differentiation after 7 days by immunostaining analysis
50002568	5	ChEMBL_1768243 (CHEMBL4220355)	Inhibition of CSF1R (unknown origin) using biotinylated peptide substrate
50002568	8	ChEMBL_1768256 (CHEMBL4220368)	Inhibition of CSF1R in human monocytes assessed as inhibition of CSF1-stimulated MCP release
50002568	9	ChEMBL_1768236 (CHEMBL4220348)	Inhibition of CSF-stimulated CSF1R phosphorylation in human MV4-11 cells by immunoblotting method
50002568	11	ChEMBL_1768238 (CHEMBL4220350)	Inhibition of JAK2 (unknown origin)
50002568	12	ChEMBL_1768244 (CHEMBL4220356)	Inhibition of KIT (unknown origin) using biotinylated peptide substrate
50002568	14	ChEMBL_1768257 (CHEMBL4220369)	Inhibition of CSF1R in human monocytes assessed as inhibition of IL34-stimulated MCP release
50002571	1	ChEMBL_1768258 (CHEMBL4220370)	Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by Kinase-GLo luminescence assay
50002571	2	ChEMBL_1768263 (CHEMBL4220375)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr by Kinase-Glo luminescence assay
50002571	3	ChEMBL_1768261 (CHEMBL4220373)	Inhibition of recombinant human N-terminal GST-tagged PI3Kbeta catalytic domain (155 to 1383 residues) expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by Kinase-Glo luminescence assay
50002571	4	ChEMBL_1768262 (CHEMBL4220374)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 1 hr by Kinase-Glo luminescence assay
50002571	5	ChEMBL_1768264 (CHEMBL4220376)	Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 peptide as substrate measured after 1 hr by LANCE assay
50002573	1	ChEMBL_1768336 (CHEMBL4220448)	Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay
50002574	1	ChEMBL_1768381 (CHEMBL4220493)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate measured after 60 mins by chemiluminescence assay
50002574	2	ChEMBL_1768378 (CHEMBL4220490)	Inhibition of recombinant human LSD1 using H3K4me2 peptide as substrate measured after 30 mins by fluorescence assay
50002574	3	ChEMBL_1768380 (CHEMBL4220492)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate measured after 60 mins by chemiluminescence assay
50002575	1	ChEMBL_1768412 (CHEMBL4220524)	Inverse agonist activity at RORgammat (unknown origin) expressed in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL-17 ROR response element driven-bright-glo luciferase reporter gene assay
50002575	2	ChEMBL_1768411 (CHEMBL4220523)	Displacement of BODIPY-labeled-(R)-N-(2-(3,5-difluoro-4-(trimethylsilyl)phenylamino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-5-(2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2H-pyrrol-5-yl)pentanamide from human His-tagged RORgammat after 20 mins by TR-FRET assay
50002576	1	ChEMBL_1768631 (CHEMBL4220743)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 45 mins by Ellmans microplate assay
50002576	2	ChEMBL_1768632 (CHEMBL4220744)	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured for 45 mins by Ellmans microplate assay
50002576	3	ChEMBL_1768646 (CHEMBL4220758)	Inhibition of AChE (unknown origin)
50002577	1	ChEMBL_1768649 (CHEMBL4220761)	Transactivation of GST-tagged RARalpha LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by TR-FRET analysis
50002577	2	ChEMBL_1768650 (CHEMBL4220762)	Transactivation of GST-tagged RARbeta LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by TR-FRET analysis
50002577	3	ChEMBL_1768651 (CHEMBL4220763)	Transactivation of GST-tagged RARgamma LBD (unknown origin) assessed as fluorescein-labelled coactivator peptide recruitment measured after 4 hrs by TR-FRET analysis
50002580	1	ChEMBL_1768668 (CHEMBL4220780)	Inhibition of GST-fused human recombinant LSD1 demethylase activity expressed in Escherichia coli BL21 using H3K4me2 as substrate after 1 hr by mass-spectrometric analysis
50002581	1	ChEMBL_1768794 (CHEMBL4220906)	Inhibition of recombinant GST-tagged human JAK1 (852 to 1142 residues) using IRS-1 as substrate in presence of 40 uM ATP by mobility shift assay
50002581	2	ChEMBL_1768709 (CHEMBL4220821)	Inhibition of recombinant human JAK2 (808-end residues) in presence of ATP
50002581	3	ChEMBL_1768708 (CHEMBL4220820)	Inhibition of recombinant human JAK1 (866-end residues) in presence of ATP
50002581	4	ChEMBL_1768786 (CHEMBL4220898)	Inhibition of recombinant human TYK2 (875-end residues) in presence of ATP
50002581	5	ChEMBL_1768788 (CHEMBL4220900)	Inhibition of recombinant human JAK3 (781-end residues) in presence of ATP
50002581	6	ChEMBL_1768795 (CHEMBL4220907)	Inhibition of recombinant GST-tagged human JAK2 (809 to 1153 residues) catalytic cytoplasmic domain expressed in baculovirus expression system using IRS-1 as substrate in presence of 4 uM ATP by mobility shift assay
50002581	7	ChEMBL_1768711 (CHEMBL4220823)	Inhibition of human ERG expressed in HEK293 cells by automated patch clamp method
50002582	1	ChEMBL_1768842 (CHEMBL4220954)	Inhibition of FPTase (unknown origin)
50002583	1	ChEMBL_1768880 (CHEMBL4220992)	Displacement of [3H]-citalopram from human SERT expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting
50002583	2	ChEMBL_1768881 (CHEMBL4220993)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation counting
50002583	3	ChEMBL_1768883 (CHEMBL4220995)	Inhibition of human SERT expressed in CHO cells assessed as reduction in [3H]5-HT uptake preincubated for 10 mins followed by [3H]5-HT addition measured after 20 mins by liquid scintillation counting
50002584	1	ChEMBL_1768935 (CHEMBL4221047)	Inhibition of RET (unknown origin) after 40 mins in presence of [gamma-33P]-ATP by liquid scintillation counting method
50002584	2	ChEMBL_1768933 (CHEMBL4221045)	Inhibition of FLT3 (unknown origin) after 40 mins in presence of [gamma-33P]-ATP by liquid scintillation counting method
50002584	3	ChEMBL_1768927 (CHEMBL4221039)	Inhibition of human FMS using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by liquid scintillation counting method
50002584	4	ChEMBL_1768934 (CHEMBL4221046)	Inhibition of PDGFRb (unknown origin) after 40 mins in presence of [gamma-33P]-ATP by liquid scintillation counting method
50002585	1	ChEMBL_1768936 (CHEMBL4221048)	Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes after 1.5 hrs by liquid scintillation counting method
50002585	2	ChEMBL_1768937 (CHEMBL4221049)	Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of human CRF-stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50002585	3	ChEMBL_1768944 (CHEMBL4221056)	Antagonist activity at human CRF2beta receptor expressed in CHO cells assessed as inhibition of human CRF-stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50002585	4	ChEMBL_1768943 (CHEMBL4221055)	Antagonist activity at human CRF2alpha receptor expressed in CHO cells assessed as inhibition of human CRF-stimulated cAMP accumulation after 4 hrs by luciferase reporter gene assay
50002586	1	ChEMBL_1768958 (CHEMBL4221070)	Displacement of biotin-labeled 123B9 from EphA2-LBD (unknown origin) after 15 mins by DELFIA
50002586	2	ChEMBL_1768959 (CHEMBL4221071)	Binding affinity to EphA2-LBD (unknown origin) by ITC assay
50002587	1	ChEMBL_1768986 (CHEMBL4221098)	Binding affinity to pig kidney DAAO by ITC method
50002587	2	ChEMBL_1768982 (CHEMBL4221094)	Inhibition of human DAAO using D-KYN as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FP-6300-based fluorescence spectrometry
50002587	3	ChEMBL_1768984 (CHEMBL4221096)	Inhibition of DAAO (unknown origin)
50002588	1	ChEMBL_1769009 (CHEMBL4221121)	Inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 1 to 5 mins followed by substrate addition
50002588	2	ChEMBL_1769011 (CHEMBL4221123)	Inhibition of NLRP3 inflammasome in human THP1 cells assessed as reduction in MSU-induced IL-1beta production preincubated for 1 hr followed by MSU stimulation measured after 6 hrs
50002588	3	ChEMBL_1769012 (CHEMBL4221124)	Inhibition of human TLR4 signaling expressed in HEK-Blue cells co-expressing MD2/CD14 assessed as reduction in LPS-induced NF-kappaB activation-mediated SEAP production preincubated for 2 hrs followed by LPS stimulation for 20 hrs by colorimetric assay
50002588	4	ChEMBL_1769010 (CHEMBL4221122)	Competitive inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 1 to 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50002589	1	ChEMBL_1769095 (CHEMBL4221207)	Inhibition of human recombinant IDO1 using L-tryptophan as substrate after 30 mins by fluorimetric analysis
50002589	2	ChEMBL_1769093 (CHEMBL4221205)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by modified Ellman assay
50002589	3	ChEMBL_1769092 (CHEMBL4221204)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by modified Ellman assay
50002591	1	ChEMBL_1769116 (CHEMBL4221228)	Inhibition of recombinant human N-terminal His6-tagged full length PI3K p120gamma expressed in baculovirus infected Sf21 insect cells by ELISA
50002591	2	ChEMBL_1769117 (CHEMBL4221229)	Inhibition of recombinant N-terminal full length human PI3K p110delta/recombinant untagged full length human p85alpha expressed in baculovirus infected Sf21 insect cells by ELISA
50002591	3	ChEMBL_1769115 (CHEMBL4221227)	Inhibition of N-terminal His6-tagged recombinant full-length PI3Kbeta (unknown origin)/untagged recombinant full length p85alpha expressed in baculovirus infected Sf21 insect cells by ELISA
50002591	4	ChEMBL_1769114 (CHEMBL4221226)	Inhibition of recombinant N-terminal His6-tagged full length PI3K p110alpha (unknown origin)/recombinant untagged full length p85alpha (unknown origin) expressed in baculovirus infected Sf21 insect cells by ELISA
50002592	1	ChEMBL_1769162 (CHEMBL4221274)	Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) expressed in HEK293 cells measured after 48 hrs post transfection by dual-luciferase reporter gene assay
50002593	1	ChEMBL_1769204 (CHEMBL4221316)	Inhibition of HIV1 reverse transcriptase p66/p51 polymerase using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by dNTP addition measured after 5 mins by bromophenol blue staining based phosphor imaging analysis
50002593	2	ChEMBL_1769209 (CHEMBL4221321)	Inhibition of HIV1 reverse transcriptase p66/p51 RNase H preincubated for 10 mins followed by PBS-22dpol/radiolabeled PBS-14r8d addition measured after 5 mins
50002593	3	ChEMBL_1769212 (CHEMBL4221324)	Inhibition of HIV1 reverse transcriptase p66/p51 polymerase M184V mutant using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by dNTP addition measured after 5 mins by bromophenol blue staining based phosphor imaging analysis
50002593	4	ChEMBL_1769202 (CHEMBL4221314)	Inhibition of HCV NS5B Cdelta55 RNA dependent RNA polymerase expressed in Escherichia coli assessed as reduction in [3H]UTP incorporation using poly(rA)/oligo(rU) as template/primer preincubated for 20 mins followed by addition of [3H]UTP measured after 30 mins
50002593	5	ChEMBL_1769203 (CHEMBL4221315)	Inhibition of HIV1 reverse transcriptase
50002593	6	ChEMBL_1769208 (CHEMBL4221320)	Inhibition of HIV1 reverse transcriptase p66/p51
50002593	7	ChEMBL_1769210 (CHEMBL4221322)	Inhibition of HIV1 reverse transcriptase p66/p51 polymerase K65R mutant using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by dNTP addition measured after 5 mins by bromophenol blue staining based phosphor imaging analysis
50002593	8	ChEMBL_1769211 (CHEMBL4221323)	Inhibition of HIV1 reverse transcriptase p66/p51 polymerase E89K mutant using PPT57 DNA/Cy5-labeled PPT24 as template/primer preincubated for 10 mins followed by dNTP addition measured after 5 mins by bromophenol blue staining based phosphor imaging analysis
50002595	1	ChEMBL_1769217 (CHEMBL4221329)	Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay
50002596	1	ChEMBL_1769236 (CHEMBL4221348)	Inhibition of HIV-1 subtype C integrase in presence of biotinylated DNA by colorimetric analysis
50002597	1	ChEMBL_1769255 (CHEMBL4221367)	Inhibition of CYP3A4 in human liver microsomes after 20 mins
50002597	2	ChEMBL_1769256 (CHEMBL4221368)	Inhibition of human ERG by patch clamp assay
50002597	3	ChEMBL_1769259 (CHEMBL4221371)	Inhibition of human ERG assessed as prolongation of QT interval
50002598	1	ChEMBL_1769264 (CHEMBL4221376)	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes measured after 120 mins by scintillation counting method
50002598	2	ChEMBL_1769263 (CHEMBL4221375)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes measured after 120 mins by scintillation counting method
50002599	1	ChEMBL_1769288 (CHEMBL4221400)	Agonist activity at human GPR119 expressed in Flp-In-T-Rex-HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by HTRF assay
50002599	2	ChEMBL_1769292 (CHEMBL4221404)	Inhibition of CYP2C9 in human liver microsomes
50002599	3	ChEMBL_1769293 (CHEMBL4221405)	Inhibition of CYP2C19 in human liver microsomes
50002599	4	ChEMBL_1769291 (CHEMBL4221403)	Inhibition of CYP1A2 in human liver microsomes
50002600	1	ChEMBL_1769307 (CHEMBL4221419)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50002600	2	ChEMBL_1769308 (CHEMBL4221420)	Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50002600	3	ChEMBL_1769309 (CHEMBL4221421)	Inhibition of recombinant human GST-tagged EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50002601	1	ChEMBL_1769373 (CHEMBL4221485)	Inhibition of PI3K-beta (unknown origin) by cell free biochemical assay
50002601	2	ChEMBL_1769374 (CHEMBL4221486)	Inhibition of PI3K-gamma (unknown origin) by cell free biochemical assay
50002601	3	ChEMBL_1769372 (CHEMBL4221484)	Inhibition of PI3K-alpha (unknown origin) by cell free biochemical assay
50002601	4	ChEMBL_1769375 (CHEMBL4221487)	Inhibition of PI3K-delta (unknown origin) by cell free biochemical assay
50002601	5	ChEMBL_1769360 (CHEMBL4221472)	Inhibition of human recombinant PI3K-delta
50002601	6	ChEMBL_1769359 (CHEMBL4221471)	Inhibition of PI3K-delta (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10 mins in presence of [gamma-32P]ATP by radioligand binding assay
50002602	1	ChEMBL_1769377 (CHEMBL4221489)	Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glycine addition measured after 2 hrs by Topcount method
50002602	2	ChEMBL_1769397 (CHEMBL4221509)	Inhibition of GlyT2 (unknown origin)
50002603	1	ChEMBL_1769400 (CHEMBL4221512)	Inhibition of human recombinant LSD1/CoREST3 expressed in Escherichia coli using monomethylatedH3meK4 peptide as substrate preincubated for 15 mins followed by substrate addition measured after 12 mins by fluorescence based assay
50002603	2	ChEMBL_1769411 (CHEMBL4221523)	Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence based assay
50002604	1	ChEMBL_1769421 (CHEMBL4221533)	Inhibition of VEGFR2 (unknown origin) using peptide substrate after 60 mins by HTRF assay
50002604	2	ChEMBL_1769420 (CHEMBL4221532)	Inhibition of EGFR (unknown origin) using peptide substrate after 60 mins by HTRF assay
50002604	3	ChEMBL_1769422 (CHEMBL4221534)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) using peptide substrate after 60 mins by HTRF assay
50002605	1	ChEBML_1769465	Inhibition of full length recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using Boc-Lys-(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	2	ChEBML_1769461	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	3	ChEBML_1769462	Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	7	ChEMBL_1769465 (CHEMBL4221577)	Inhibition of full length recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using Boc-Lys-(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	8	ChEMBL_1769464 (CHEMBL4221576)	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	9	ChEMBL_1769460 (CHEMBL4221572)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	10	ChEMBL_1769461 (CHEMBL4221573)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	11	ChEMBL_1769462 (CHEMBL4221574)	Inhibition of full length recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	12	ChEMBL_1769463 (CHEMBL4221575)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	4	ChEBML_1769460	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	6	ChEBML_1769464	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002605	5	ChEBML_1769463	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay
50002606	1	ChEMBL_1769471 (CHEMBL4221583)	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002606	2	ChEMBL_1769479 (CHEMBL4221591)	Inhibition of HDAC6 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002606	3	ChEMBL_1769470 (CHEMBL4221582)	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (acetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002606	4	ChEMBL_1769478 (CHEMBL4221590)	Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002606	5	ChEMBL_1769480 (CHEMBL4221592)	Inhibition of HDAC8 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002606	6	ChEMBL_1769481 (CHEMBL4221593)	Inhibition of HDAC11 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002607	1	ChEBML_1769482	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50002607	2	ChEBML_1769486	Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence assay
50002607	3	ChEBML_1769487	Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence assay
50002608	1	ChEBML_1769512	Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate measured after 10 to 120 mins by spectrophotometric method
50002608	2	ChEBML_1769522	Inhibition of human factor 10a
50002608	3	ChEBML_1769520	Inhibition of human factor 7a
50002608	4	ChEBML_1769527	Inhibition of human plasmin
50002608	5	ChEBML_1769521	Inhibition of human factor 9a
50002608	6	ChEBML_1769523	Inhibition of human thrombin
50002608	12	ChEMBL_1769524 (CHEMBL4221636)	Inhibition of human trypsin
50002608	8	ChEBML_1769525	Inhibition of human plasma kallikrein
50002608	9	ChEBML_1769526	Inhibition of human activated protein C
50002608	10	ChEBML_1769528	Inhibition of human TPA
50002608	11	ChEBML_1769529	Inhibition of human urokinase
50002608	7	ChEBML_1769524	Inhibition of human trypsin
50002609	1	ChEBML_1769547	Inhibition of Mycobacterium tuberculosis LAT using L-lysine and alpha-ketoglutaric acid as substrate by spectrophotometric analysis
50002610	1	ChEBML_1769550	Binding affinity to human MDO2 by ITC
50002610	2	ChEBML_1769549	Binding affinity to human MDO1 by ITC
50002611	7	ChEMBL_1769565 (CHEMBL4221677)	Non-competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	22	ChEMBL_1769570 (CHEMBL4221682)	Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	3	ChEMBL_1769586 (CHEMBL4221698)	Non-competitive inhibition of recombinant human cathepsin L expressed in Escherichia coli assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Z-FR-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	6	ChEMBL_1769595 (CHEMBL4221707)	Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	5	ChEMBL_1769593 (CHEMBL4221705)	Non-competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	18	ChEMBL_1769564 (CHEMBL4221676)	Competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	4	ChEMBL_1769562 (CHEMBL4221674)	Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	9	ChEMBL_1769574 (CHEMBL4221686)	Competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 4.5 acetate buffer by fluorescence assay
50002611	1	ChEMBL_1769569 (CHEMBL4221681)	Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	14	ChEMBL_1769566 (CHEMBL4221678)	Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	2	ChEMBL_1769568 (CHEMBL4221680)	Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	8	ChEMBL_1769563 (CHEMBL4221675)	Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	17	ChEMBL_1769573 (CHEMBL4221685)	Inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	10	ChEMBL_1769567 (CHEMBL4221679)	Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	20	ChEMBL_1769598 (CHEMBL4221710)	Competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	12	ChEMBL_1769582 (CHEMBL4221694)	Non-competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-inhibitor complex using R-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	15	ChEMBL_1769585 (CHEMBL4221697)	Competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-inhibitor complex using R-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	16	ChEBML_1769583	Non-competitive inhibition of recombinant human cathepsin L expressed in Escherichia coli assessed as inhibitory constant for enzyme-inhibitor complex using Z-FR-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	11	ChEMBL_1769584 (CHEMBL4221696)	Non-competitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-substrate-inhibitor complex using R-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	19	ChEBML_1769570	Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate in presence of pH 5 acetate buffer by fluorescence assay
50002611	13	ChEMBL_1769583 (CHEMBL4221695)	Non-competitive inhibition of recombinant human cathepsin L expressed in Escherichia coli assessed as inhibitory constant for enzyme-inhibitor complex using Z-FR-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002611	21	ChEBML_1769581	Uncompetitive inhibition of human liver cathepsin H assessed as inhibitory constant for enzyme-substrate-inhibitor complex using R-AMC as substrate in presence of pH 6 phosphate buffer by fluorescence assay
50002612	1	ChEBML_1769602	Competitive inhibition of Bacillus subtilis rhomboid YqgP preincubated for 30 mins followed by FP-Rh addition measured after 1 hr by gel-based ABPP method
50002613	1	ChEBML_1769674	Inhibition of recombinant human HDAC1 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins in presence of DTT by fluorescence assay
50002613	2	ChEBML_1769673	Inhibition of human placenta topoisomerase 2alpha assessed as reduction in pBR322 supercoiled DNA relaxation after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50002613	3	ChEBML_1769675	Inhibition of recombinant mouse HDAC6 expressed in HEK293T cells co-expressing mouse HDA2 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins in presence of DTT by fluorescence assay
50002614	7	ChEMBL_1769748 (CHEMBL4221860)	Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation with IL-1beta for 16 to 20 hrs measured after 10 mins by HTRF assay
50002614	5	ChEMBL_1769747 (CHEMBL4221859)	Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins followed by substrate addition measured for 1 min
50002614	1	ChEBML_1769747	Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins followed by substrate addition measured for 1 min
50002614	2	ChEMBL_1769749 (CHEMBL4221861)	Inhibition of mPGES1 in human whole blood assessed as reduction in LPS-induced PGE2 production measured after 20 to 24 hrs
50002614	4	ChEBML_1769770	Inhibition of mPGES1 in dog whole blood assessed as reduction in LPS-induced PGE2 production measured after 20 to 24 hrs
50002614	6	ChEBML_1769782	Activation of human PXR
50002614	3	ChEMBL_1769766 (CHEMBL4221878)	Inhibition of human mPGES1 assessed as decrease in PGF2alpha production
50002616	1	ChEMBL_1769833 (CHEMBL4221945)	Binding affinity to recombinant human C-terminal His8-tagged PCSK9 expressed in Chinese hamster ovary cells by biolayer interferometry
50002616	2	ChEMBL_1769831 (CHEMBL4221943)	Inhibition of PCSK9 binding to LDLR in human HuH7 cells after 5 hrs by On-cell Western assay
50002616	3	ChEMBL_1769832 (CHEMBL4221944)	Inhibition of binding of full-length recombinant human PCSK9 (M1 to Q692 residues) expressed in HEK293 cells to full-length LDLR (A1 to A699 residues) by SPR analysis
50002616	4	ChEBML_1769834	Inhibition of recombinant human C-terminal His8-tagged PCSK9 expressed in Chinese hamster ovary cells by TR-FRET assay
50002617	1	ChEBML_1769837	Inhibition of human small intestinal SGLT1 expressed in CHOK1 cells assessed as decrease in [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition and measured after 2 hrs by TopCount method
50002617	2	ChEBML_1769838	Inhibition of human kidney SGLT2 expressed in CHOK1 cells assessed as decrease in [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition and measured after 2 hrs by TopCount method
50002619	1	ChEMBL_1769909 (CHEMBL4222021)	Antagonist activity at human glucagon receptor expressed in HEK293T cells assessed as inhibition of glucagon-induced cAMP accumulation after 30 mins by HTRF assay
50002619	2	ChEBML_1769908	Displacement of [125I]-glucagon from wild type human glucagon receptor expressed in CHOK1 cells after 3 hrs by micro beta scintillation counting analysis
50002619	3	ChEMBL_1769908 (CHEMBL4222020)	Displacement of [125I]-glucagon from wild type human glucagon receptor expressed in CHOK1 cells after 3 hrs by micro beta scintillation counting analysis
50002620	1	ChEBML_1769946	Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay
50002620	2	ChEMBL_1769947 (CHEMBL4222059)	Agonist activity at recombinant human GAL4-fused ERalpha expressed in HEk293 cells by luciferase reporter gene assay
50002620	4	ChEMBL_1769946 (CHEMBL4222058)	Displacement of Fluormone ES2 from full length recombinant human untagged ERalpha expressed in Sf insect cells by fluorescence polarization assay
50002620	3	ChEMBL_1769949 (CHEMBL4222061)	Antagonist activity at ERalpha (unknown origin) expressed in human MCF7 cells assessed as inhibition of E2-induced response by dual luciferase reporter gene assay
50002622	1	ChEMBL_1769989 (CHEMBL4222101)	Inhibition of aromatase (unknown origin)
50002622	2	ChEBML_1769989	Inhibition of aromatase (unknown origin)
50002623	1	ChEBML_1770015	Inhibition of recombinant human His-tagged PGAM1 expressed in Escherichia coli BL21 competent cells by kinase-glo assay
50002623	2	ChEMBL_1769994 (CHEMBL4222106)	Inhibition of PGAM1 in human MDA-MB-231 cells using 3-PGA as substrate after 2 hrs in by UV-vis spectrophotometric method
50002623	3	ChEMBL_1769995 (CHEMBL4222107)	Inhibition of PGAM1 (unknown origin)
50002623	4	ChEMBL_1770013 (CHEMBL4222125)	Inhibition of recombinant human PGAM1 using 3-PG as substrate by fluorescence based assay
50002623	5	ChEMBL_1770015 (CHEMBL4222127)	Inhibition of recombinant human His-tagged PGAM1 expressed in Escherichia coli BL21 competent cells by kinase-glo assay
50002624	1	ChEMBL_1770030 (CHEMBL4222142)	Inhibition of PDE2 (unknown origin)
50002624	2	ChEMBL_1770029 (CHEMBL4222141)	Antagonist activity at DP1 receptor (unknown origin)
50002625	1	ChEMBL_1770082 (CHEMBL4222194)	Inhibition of Staphylococcus aureus dehydrosqualene synthase
50002626	1	ChEMBL_1770087 (CHEMBL4222199)	Inhibition of recombinant human GST-tagged EGFR L858R/T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using tyrosine04 peptide as substrate after 60 mins in presence of ATP by Z-LYTE assay
50002626	2	ChEMBL_1770084 (CHEMBL4222196)	Inhibition of EGFR L858R/T790M mutant phosphorylation in human NCI-H1975 cells after 1 hr by ELISA
50002626	3	ChEMBL_1770089 (CHEMBL4222201)	Inhibition of wild-type EGFR phosphorylation in human A431 cells preincubated for 1 hr followed by EGF stimulation measured after 45 mins by ELISA
50002626	4	ChEMBL_1770086 (CHEMBL4222198)	Inhibition of recombinant human GST-tagged wild-type EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using tyrosine04 peptide as substrate after 60 mins in presence of ATP by Z-LYTE assay
50002627	1	ChEMBL_1770167 (CHEMBL4222279)	Inhibition of recombinant wild-type HIV1 reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50002628	1	ChEMBL_1770184 (CHEMBL4222296)	Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) at after 1 hr by scintillation proximity assay
50002628	2	ChEMBL_1770185 (CHEMBL4222297)	Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORgamma LBD (265 to 518 residues) expressed in Escherichia coli BL21(DE3) at after 1 hr by scintillation proximity assay
50002628	3	ChEMBL_1770188 (CHEMBL4222300)	Inverse agonist activity at GAL4-DNA binding domain-fused human RORgamma ligand binding domain expressed in HEK293T cells incubated for 20 hrs by luciferase reporter gene assay
50002628	4	ChEMBL_1770186 (CHEMBL4222298)	Inverse agonist activity at GAL4-DNA binding domain-fused human RORalpha ligand binding domain expressed in HEK293T cells incubated for 20 hrs by luciferase reporter gene assay
50002628	5	ChEMBL_1770187 (CHEMBL4222299)	Inverse agonist activity at GAL4-DNA binding domain-fused human RORbeta ligand binding domain expressed in HEK293T cells incubated for 20 hrs by luciferase reporter gene assay
50002629	1	ChEMBL_1770194 (CHEMBL4222306)	Binding affinity to recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method
50002629	2	ChEMBL_1770197 (CHEMBL4222309)	Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate pretreated for 15 mins followed by substrate addition measured after 60 mins in presence of [3H]SAM by liquid scintillation counting method
50002629	3	ChEMBL_1770193 (CHEMBL4222305)	Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate measured after 30 mins in presence of SAM by AlphaLISA assay
50002630	1	ChEMBL_1770256 (CHEMBL4222368)	Inhibition of PI3K p110delta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay
50002630	2	ChEMBL_1770259 (CHEMBL4222371)	Inhibition of PI3K p110beta (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay
50002630	3	ChEMBL_1770258 (CHEMBL4222370)	Inhibition of PI3K p110alpha (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay
50002630	4	ChEMBL_1770255 (CHEMBL4222367)	Inhibition of PI3Kdelta (unknown origin)
50002630	5	ChEMBL_1770260 (CHEMBL4222372)	Inhibition of PI3K p110gamma (unknown origin) using lipid substrate after 40 mins by kinase-Glo assay
50002631	1	ChEMBL_1770278 (CHEMBL4222390)	Agonist activity at recombinant TRPV1 (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux administered for 1 min followed by compound washout via perfusion for 1 min by FURA-2AM-dye based fluorescence assay
50002632	1	ChEMBL_1770303 (CHEMBL4222415)	Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-induced calcium mobilization preincubated for 4 mins followed by acetylcholine addition measured after 4 mins by Fluo-4AM-based FLIPR assay
50002632	2	ChEMBL_1770304 (CHEMBL4222416)	Allosteric agonist at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as induction of calcium mobilization after 2.5 mins by Fluo-4AM-based FLIPR assay
50002632	3	ChEMBL_1770306 (CHEMBL4222418)	Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced calcium mobilization preincubated for 2.5 mins followed by acetylcholine addition measured after 1 min by Fluo-4AM-based FLIPR assay
50002633	1	ChEMBL_1770327 (CHEMBL4222439)	Inhibition of Aurora A (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay
50002633	2	ChEMBL_1770329 (CHEMBL4222441)	Inhibition of Aurora B in human HCT116 cells assessed as reduction in phosphorylation of Histone H3 at Ser10 residue incubated for 1 hr by Hoechst 33342 dye-based immunofluorescence microscopic method
50002633	3	ChEMBL_1770328 (CHEMBL4222440)	Inhibition of Aurora B (unknown origin) using Tamra-PKAtide as substrate by fluorescence polarization assay
50002633	4	ChEMBL_1770333 (CHEMBL4222445)	Binding affinity to Aurora B (unknown origin) after 45 mins by fluorescence-based thermal stability shift assay
50002633	5	ChEMBL_1770337 (CHEMBL4222449)	Inhibition of LCK (unknown origin)
50002633	6	ChEMBL_1770345 (CHEMBL4222457)	Inhibition of EGFR (unknown origin)
50002633	7	ChEMBL_1770349 (CHEMBL4222461)	Inhibition of IKKB (unknown origin)
50002633	8	ChEMBL_1770352 (CHEMBL4222464)	Inhibition of PKCA (unknown origin)
50002633	9	ChEMBL_1770338 (CHEMBL4222450)	Inhibition of RSK2 (unknown origin)
50002633	10	ChEMBL_1770342 (CHEMBL4222454)	Inhibition of CAMK4 (unknown origin)
50002633	11	ChEMBL_1770350 (CHEMBL4222462)	Inhibition of JAK2 (unknown origin)
50002633	12	ChEMBL_1770332 (CHEMBL4222444)	Binding affinity to Aurora A (unknown origin) after 45 mins by fluorescence-based thermal stability shift assay
50002633	13	ChEMBL_1770334 (CHEMBL4222446)	Inhibition of CHK1 (unknown origin)
50002633	14	ChEMBL_1770335 (CHEMBL4222447)	Inhibition of EPHB4 (unknown origin)
50002633	15	ChEMBL_1770336 (CHEMBL4222448)	Inhibition of FLT3 (unknown origin)
50002633	16	ChEMBL_1770341 (CHEMBL4222453)	Inhibition of AKT1 (unknown origin)
50002633	17	ChEMBL_1770343 (CHEMBL4222455)	Inhibition of CDK2 (unknown origin)
50002633	18	ChEMBL_1770344 (CHEMBL4222456)	Inhibition of CSNK1D (unknown origin)
50002633	19	ChEMBL_1770346 (CHEMBL4222458)	Inhibition of ERK2 (unknown origin)
50002633	20	ChEMBL_1770348 (CHEMBL4222460)	Inhibition of IGF1R (unknown origin)
50002633	21	ChEMBL_1770339 (CHEMBL4222451)	Inhibition of MET (unknown origin)
50002633	22	ChEMBL_1770340 (CHEMBL4222452)	Inhibition of MST2 (unknown origin)
50002633	23	ChEMBL_1770351 (CHEMBL4222463)	Inhibition of NEK2 (unknown origin)
50002633	24	ChEMBL_1770353 (CHEMBL4222465)	Inhibition of PLK3 (unknown origin)
50002633	25	ChEMBL_1770354 (CHEMBL4222466)	Inhibition of ROCK2 (unknown origin)
50002633	26	ChEMBL_1770355 (CHEMBL4222467)	Inhibition of TSSK2 (unknown origin)
50002633	27	ChEMBL_1770357 (CHEMBL4222469)	Inhibition of CYP2D6 in human liver microsomes
50002633	28	ChEMBL_1770358 (CHEMBL4222470)	Inhibition of CYP2C9 in human liver microsomes
50002633	29	ChEMBL_1770395 (CHEMBL4222507)	Inhibition of S6K (unknown origin)
50002633	30	ChEMBL_1770347 (CHEMBL4222459)	Inhibition of GSK3b (unknown origin)
50002633	31	ChEMBL_1770356 (CHEMBL4222468)	Inhibition of CYP3A4 in human liver microsomes
50002633	32	ChEMBL_1770359 (CHEMBL4222471)	Inhibition of CYP2C19 in human liver microsomes
50002633	33	ChEMBL_1770392 (CHEMBL4222504)	Inhibition of IRAK4 (unknown origin)
50002635	1	ChEMBL_1770412 (CHEMBL4222524)	Inhibition of geldanamycin-based probe binding to HSP90 (unknown origin) by fluorescence polarization assay
50002635	2	ChEMBL_1770413 (CHEMBL4222525)	Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysis
50002635	3	ChEMBL_1770414 (CHEMBL4222526)	Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate after 2 hrs by fluorescence analysis
50002635	4	ChEMBL_1770415 (CHEMBL4222527)	Inhibition of HSP90alpha (unknown origin)
50002635	5	ChEMBL_1770411 (CHEMBL4222523)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]-ATP
50002636	1	ChEMBL_1770441 (CHEMBL4222553)	Inhibition of human DCN1-mediated cullin neddylation assessed as reduction in transfer of fluorescein-5-maleimide-tagged NEDD8 from N-terminally acetylated human UBE2M to CUL2-CTD measured for 10 sec by pulse-chase assay
50002636	2	ChEMBL_1770432 (CHEMBL4222544)	Binding affinity biotinylated human GST-tagged DCN1 assessed as inhibition of protein interaction with AlexaFluor 488-tagged and N-terminally acetylated human UBE2M (1 to 12 residues) after 1 hr by TR-FRET assay
50002636	3	ChEMBL_1770453 (CHEMBL4222565)	Inhibition of human recombinant His-tagged NAE1 expressed in baculovirus expression system after 90 mins in presence of FLAG-tagged NEDD8 by TR-FRET assay
50002636	4	ChEMBL_1770435 (CHEMBL4222547)	Binding affinity biotinylated human GST-tagged DCN1 by ITC method
50002636	5	ChEMBL_1770455 (CHEMBL4222567)	Binding affinity to N-terminally acetylated human UBE2M
50002637	1	ChEMBL_1770474 (CHEMBL4222586)	Inhibition of CYP2C9 (unknown origin)
50002637	2	ChEMBL_1770472 (CHEMBL4222584)	Antagonist activity at recombinant human P2X3 receptor expressed in Flp-In-293 cells assessed as inhibition of CTP-induced chloride current response preincubated for 2 mins followed by CTP addition along with test compound by whole cell patch-clamp method
50002637	3	ChEMBL_1770476 (CHEMBL4222588)	Inhibition of human UGT1A1 expressed in baculovirus infected insect cells using bilirubin as substrate measured after 10 mins by HPLC analysis
50002637	4	ChEMBL_1770487 (CHEMBL4222599)	Activation of PXR (unknown origin)
50002637	5	ChEMBL_1770486 (CHEMBL4222598)	Inhibition of UGT1A1 in human liver microsomes assessed as decrease in estradiol-3 glucuronidation
50002638	1	ChEMBL_1770504 (CHEMBL4222616)	Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002638	2	ChEMBL_1770505 (CHEMBL4222617)	Inhibition of recombinant human KLK5 using Boc-Val-Pro-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002638	3	ChEMBL_1770507 (CHEMBL4222619)	Inhibition of human trypsin using Boc-Gln-Ala-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002639	1	ChEMBL_1770516 (CHEMBL4222628)	Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced calcium release preincubated for 15 mins followed by 5-HT addition measured every 1.7 secs for 60 secs by calcium 4 dye-based FLIPR assay
50002640	1	ChEMBL_1770518 (CHEMBL4222630)	Binding affinity to recombinant N-terminal GST-tagged/RED-NHS labelled wild-type BCL6 BTB domain (5 to 129 residues) (unknown origin) expressed in Escherichia coli Rosetta BL21 (DE3) incubated for 30 mins under dark condition by microscale thermophoresis method
50002640	2	ChEMBL_1770519 (CHEMBL4222631)	Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (unknown origin) C8Q/C67R/C84N triple mutant expressed in Escherichia coli Rosetta BL21 (DE3) incubated for 30 mins under dark condition by microscale thermophoresis method
50002641	1	ChEMBL_1770527 (CHEMBL4222639)	Inhibition of wild type HIV1 reverse transcriptase using poly (A)/oligo (dT)15 as template/primer assessed as decrease in biotin-dUTP incorporation after 1 hr by ELISA
50002641	2	ChEMBL_1770539 (CHEMBL4222651)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant using poly (A)/oligo (dT)15 as template/primer assessed as decrease in biotin-dUTP incorporation after 1 hr by ELISA
50002642	1	ChEMBL_1770541 (CHEMBL4222653)	Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs
50002642	2	ChEMBL_1770542 (CHEMBL4222654)	Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 42 residues) production measured after 24 hrs by ELISA
50002643	1	ChEMBL_1770559 (CHEMBL4222671)	Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 mins measured after 90 mins in presence of MgCl2 by caliper mobility shift assay
50002643	2	ChEMBL_1770561 (CHEMBL4222673)	Inhibition of human PIM2
50002643	3	ChEMBL_1770560 (CHEMBL4222672)	Inhibition of human PIM1
50002643	4	ChEMBL_1770570 (CHEMBL4222682)	Inhibition of DYRK3 (unknown origin)
50002643	5	ChEMBL_1770574 (CHEMBL4222686)	Inhibition of ALK (unknown origin)
50002643	6	ChEMBL_1770562 (CHEMBL4222674)	Inhibition of CK2alpha in human HCT116 or human DLD1 cells assessed as decrease in AKT phosphorylation at S129 residue after 3 to 24 hrs by Western blot method
50002643	7	ChEMBL_1770566 (CHEMBL4222678)	Inhibition of HIPK2 (unknown origin)
50002643	8	ChEMBL_1770568 (CHEMBL4222680)	Inhibition of PI3Kalpha (unknown origin)
50002643	9	ChEMBL_1770569 (CHEMBL4222681)	Inhibition of PI3Kgamma (unknown origin)
50002643	10	ChEMBL_1770571 (CHEMBL4222683)	Inhibition of GSK3beta (unknown origin)
50002643	11	ChEMBL_1770573 (CHEMBL4222685)	Inhibition of CDK2 (unknown origin)
50002643	12	ChEMBL_1770575 (CHEMBL4222687)	Inhibition of IGF1R (unknown origin)
50002643	13	ChEMBL_1770582 (CHEMBL4222694)	Inhibition of PIM1 (unknown origin) expressed in human U2OS cells assessed as reduction in BAD substrate phosphorylation by ELISA
50002643	14	ChEMBL_1770583 (CHEMBL4222695)	Inhibition of PIM2 (unknown origin) expressed in human U2OS cells assessed as reduction in BAD substrate phosphorylation by ELISA
50002643	15	ChEMBL_1770567 (CHEMBL4222679)	Inhibition of PI3Kdelta (unknown origin)
50002643	16	ChEMBL_1770572 (CHEMBL4222684)	Inhibition of PI3Kbeta (unknown origin)
50002643	17	ChEMBL_1770565 (CHEMBL4222677)	Inhibition of PIM3 (unknown origin)
50002644	1	ChEMBL_1770599 (CHEMBL4222711)	Inhibition of full length human N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using biotinylated substrate after 50 mins by HTRF assay
50002645	1	ChEMBL_1770603 (CHEMBL4222715)	Displacement of ARTK(Bio)QTARK(Aoa-RADP)S from His6-tagged PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression system after 30 mins by AlphaScreen assay
50002645	2	ChEMBL_1770602 (CHEMBL4222714)	Binding affinity to PARP14 MD2 (A994 to N1191 residues) (unknown origin) expressed in bacterial expression system by ITC assay
50002646	1	ChEMBL_1770604 (CHEMBL4222716)	Inhibition of recombinant human NQO2 assessed as change in rate of decolouration of DCPIP measured over 1 min by spectrophotometric method
50002647	1	ChEMBL_1770681 (CHEMBL4222793)	Inverse agonist activity at RARgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the RARgamma ligand-binding domain assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002647	2	ChEMBL_1770666 (CHEMBL4222778)	Inverse agonist activity at RORgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the ROR gamma ligand-binding domain assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002647	3	ChEMBL_1770667 (CHEMBL4222779)	Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of antiCD-28 antibody stimulated IL-17A production after 4 days by HTRF method
50002647	4	ChEMBL_1770682 (CHEMBL4222794)	Inverse agonist activity at RORalpha (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the RORalpha ligand-binding domain assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002647	5	ChEMBL_1770683 (CHEMBL4222795)	Activity at LXRbeta (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the LXRbeta ligand-binding domain assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002647	6	ChEMBL_1770684 (CHEMBL4222796)	Activity at VDR expressed in human HeLa-derived HDLN6 cells assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002647	7	ChEMBL_1770685 (CHEMBL4222797)	Activity at PPARgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused to the PPARgamma ligand-binding domain assessed as inhibition of transcriptional activity after 18 hrs by luminescence-based luciferase reporter gene assay
50002648	1	ChEMBL_1770714 (CHEMBL4222826)	Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 10 mins followed by substrate addition monitored for 90 secs by protease enzyme coupled based spectrophotometric analysis
50002649	1	ChEMBL_1770717 (CHEMBL4222829)	Inhibition of recombinant human CD38 extracellular domain expressed in Pichia pastoris using NAD as substrate pretreated for 30 mins followed by substrate addition measured after 15 to 45 mins
50002649	2	ChEMBL_1770716 (CHEMBL4222828)	Inhibition of human ERG
50002649	3	ChEMBL_1770718 (CHEMBL4222830)	Inhibition of CYP3A4 (unknown origin)
50002651	1	ChEMBL_1770733 (CHEMBL4222845)	Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay
50002651	2	ChEMBL_1770735 (CHEMBL4222847)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay
50002651	3	ChEMBL_1770734 (CHEMBL4222846)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay
50002651	4	ChEMBL_1770732 (CHEMBL4222844)	Inhibition of wild type EGFR (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay
50002652	1	ChEMBL_1770813 (CHEMBL4222925)	Inhibition of biotin labelled Pam2CSK4 binding to mouse TLR2 Fc chimera protein after 45 mins by AlphaScreen assay
50002652	2	ChEMBL_1770812 (CHEMBL4222924)	Inhibition of biotin labelled Pam2CSK4 binding to His tagged human TLR2 after 45 mins by AlphaScreen assay
50002653	1	ChEMBL_1770863 (CHEMBL4222975)	Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins by Nu-page gel-based phosphor screen analysis
50002654	1	ChEMBL_1770901 (CHEMBL4223013)	Inhibition of HIV1 integrase
50002655	1	ChEMBL_1770911 (CHEMBL4223023)	Inhibition of recombinant Neisseria meningitidis glycosyltransferase LgtC using UDP-Gal/lactose as substrate preincubated for 20 mins with UDP-Gal followed by lactose addition measured after 20 mins in presence of MnCl2 by malachite green dye based colorimetric assay
50002655	2	ChEMBL_1770910 (CHEMBL4223022)	Inhibition of recombinant Neisseria meningitidis glycosyltransferase LgtC using UDP-Gal/lactose as substrate preincubated for 30 mins with UDP-Gal followed by lactose addition measured after 20 mins in presence of MnCl2 and calf intestinal phosphatase by malachite green dye based enzyme-coupled colorimetric assay relative to control
50002655	3	ChEMBL_1770912 (CHEMBL4223024)	Inhibition of recombinant Neisseria meningitidis glycosyltransferase LgtC using UDP-Gal/lactose as substrate preincubated for 20 mins with UDP-Gal followed by lactose addition measured after 20 mins in presence of MnCl2
50002656	1	ChEMBL_1770953 (CHEMBL4223065)	Inhibition of falcipain-2 in chloroquine sensitive Plasmodium falciparum MRC-02 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay
50002656	2	ChEMBL_1770954 (CHEMBL4223066)	Inhibition of falcipain-2 in chloroquine resistant Plasmodium falciparum RKL9 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay
50002657	1	ChEMBL_1771076 (CHEMBL4223188)	Inhibition of Trypanosoma brucei rhodesain expressed in Pichia pastoris using Z-phe-Arg-AMC as substrate preincubated for 1 hr followed by substrate addition by fluorescence assay
50002660	1	ChEMBL_1771104 (CHEMBL4223216)	Antagonist activity at alpha 1B adrenergic receptor (unknown origin) by luciferase reporter gene assay
50002660	2	ChEMBL_1771103 (CHEMBL4223215)	Antagonist activity at alpha 1A adrenergic receptor (unknown origin) by luciferase reporter gene assay
50002660	3	ChEMBL_1771105 (CHEMBL4223217)	Antagonist activity at alpha 1D adrenergic receptor (unknown origin) by luciferase reporter gene assay
50002663	1	ChEMBL_1771109 (CHEMBL4223221)	Inhibition of human cathepsin B
50002663	2	ChEMBL_1771112 (CHEMBL4223224)	Inhibition of human cathepsin S
50002663	3	ChEMBL_1771111 (CHEMBL4223223)	Inhibition of human cathepsin L
50002663	4	ChEMBL_1771110 (CHEMBL4223222)	Inhibition of human cathepsin K
50002663	5	ChEMBL_1771108 (CHEMBL4223220)	Inhibition of Plasmodium falciparum falcipain-2
50002663	6	ChEMBL_1771117 (CHEMBL4223229)	Inhibition of Plasmodium falciparum falcipain-3
50002664	1	ChEMBL_1771122 (CHEMBL4223234)	Inhibition of Cav2.2 in human SH-SY5Y cells assessed as decrease in KCl-induced calcium mobilization measured after 600 secs post compound addition and 300 secs post KCl addition in presence of CaV1 blocker nifedipine by calcium 4 dye-based FLIPR assay
50002664	2	ChEMBL_1771123 (CHEMBL4223235)	Inhibition of recombinant human Cav3.2-alpha1 expressed in HEK293T cells assessed as decrease in KCl-induced calcium mobilization measured after 600 secs post compound addition and 300 secs post KCl addition by calcium 4 dye-based FLIPR assay
50002664	3	ChEMBL_1771121 (CHEMBL4223233)	Displacement of [125I]GVIA from rat brain membrane Cav2.2 after 1 hr by gamma counting method
50002665	1	ChEMBL_1771178 (CHEMBL4223290)	Inhibition of KDM5A (unknown origin) preincubated with enzyme
50002665	2	ChEMBL_1771179 (CHEMBL4223291)	Inhibition of KDM5B (unknown origin) preincubated with enzyme
50002665	3	ChEMBL_1771181 (CHEMBL4223293)	Inhibition of KDM5A/KDM5B in human ZR-75-1 cells assessed as increase in H3K4me3 level after 72 hrs by fluorometric immunoassay
50002665	4	ChEMBL_1771180 (CHEMBL4223292)	Inhibition of KDM4C (unknown origin) preincubated with enzyme
50002665	5	ChEMBL_1771185 (CHEMBL4223297)	Inhibition of KDM2B (unknown origin)
50002665	6	ChEMBL_1771186 (CHEMBL4223298)	Inhibition of KDM3A (unknown origin)
50002665	7	ChEMBL_1771187 (CHEMBL4223299)	Inhibition of KDM4A (unknown origin)
50002665	8	ChEMBL_1771190 (CHEMBL4223302)	Inhibition of KDM4E (unknown origin)
50002665	9	ChEMBL_1771184 (CHEMBL4223296)	Inhibition of KDM2A (unknown origin)
50002665	10	ChEMBL_1771191 (CHEMBL4223303)	Inhibition of KDM6B (unknown origin)
50002665	11	ChEMBL_1771188 (CHEMBL4223300)	Inhibition of KDM4B (unknown origin)
50002665	12	ChEMBL_1771183 (CHEMBL4223295)	Inhibition of KDM1A (unknown origin)
50002665	13	ChEMBL_1771189 (CHEMBL4223301)	Inhibition of KDM4D (unknown origin)
50002666	1	ChEMBL_1771205 (CHEMBL4223317)	Inhibition of GRK2 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay
50002666	2	ChEMBL_1771206 (CHEMBL4223318)	Inhibition of GRK1 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay
50002666	3	ChEMBL_1771207 (CHEMBL4223319)	Inhibition of GRK5 (unknown origin) preincubated for 10 mins followed by peptide substrate and ATP addition measured after 1 hr by TR-FRET assay
50002667	1	ChEMBL_1771210 (CHEMBL4223322)	Inhibition of human VEGFR-2 after 2.5 hrs by ELISA
50002668	1	ChEMBL_1771213 (CHEMBL4223325)	Displacement of [3H]2MeSADP from P2Y12 receptor in human platelets after 60 mins by TopCount scintillation counting method
50002669	1	ChEMBL_1771281 (CHEMBL4223393)	Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate after 35 to 40 mins by HTRF assay
50002669	2	ChEMBL_1771285 (CHEMBL4223397)	Inhibition of PI3Kdelta (unknown origin) using phosphatidylinositol as substrate after 90 mins by scintillation proximity assay
50002669	3	ChEMBL_1771271 (CHEMBL4223383)	Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate after 35 to 40 mins by HTRF assay
50002669	4	ChEMBL_1771284 (CHEMBL4223396)	Inhibition of recombinant human full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using PIP2 as substrate after 35 to 40 mins by HTRF assay
50002669	5	ChEMBL_1771282 (CHEMBL4223394)	Inhibition of recombinant human N-terminal His6-tagged full length PI3K p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using phosphatidylinositol as substrate after 3 hrs by kinase glo reagent based luminescence assay
50002669	6	ChEMBL_1771286 (CHEMBL4223398)	Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate after 90 mins by scintillation proximity assay
50002670	1	ChEMBL_1771292 (CHEMBL4223404)	Inhibition of EGFR (unknown origin)
50002670	2	ChEMBL_1771288 (CHEMBL4223400)	Inhibition of B-Raf V600E mutant (unknown origin) using MEK1 as substrate measured after 2 hrs by ELISA
50002670	3	ChEMBL_1771287 (CHEMBL4223399)	Inhibition of B-Raf (unknown origin) using MEK1 as substrate measured after 2 hrs by ELISA
50002670	4	ChEMBL_1771289 (CHEMBL4223401)	Inhibition of VEGFR2 (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition measured after 30 mins by caliper mobility shift assay
50002670	5	ChEMBL_1771290 (CHEMBL4223402)	Inhibition of FLT3 (unknown origin)
50002670	6	ChEMBL_1771291 (CHEMBL4223403)	Inhibition of c-KIT (unknown origin)
50002671	1	ChEMBL_1771301 (CHEMBL4223413)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay
50002671	2	ChEMBL_1771303 (CHEMBL4223415)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes by radioligand binding assay
50002671	3	ChEMBL_1771305 (CHEMBL4223417)	Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay
50002671	4	ChEMBL_1771298 (CHEMBL4223410)	Binding affinity to human dopamine D3 receptor
50002671	5	ChEMBL_1771299 (CHEMBL4223411)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cell membranes by radioligand binding assay
50002671	6	ChEMBL_1771300 (CHEMBL4223412)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblasts membranes by radioligand binding assay
50002671	7	ChEMBL_1771302 (CHEMBL4223414)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay
50002671	8	ChEMBL_1771297 (CHEMBL4223409)	Binding affinity to human dopamine D2 receptor
50002672	1	ChEMBL_1771313 (CHEMBL4223425)	Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 4 to 5 days in presence of 10% FBS by luciferase reporter gene assay
50002672	2	ChEMBL_1771311 (CHEMBL4223423)	Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yields after 4 to 5 days in presence of 10% FBS/15 mg/ml HSA by luciferase reporter gene assay
50002672	3	ChEMBL_1771310 (CHEMBL4223422)	Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yields after 4 to 5 days in presence of 10% FBS by luciferase reporter gene assay
50002672	4	ChEMBL_1771319 (CHEMBL4223431)	Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 4 to 5 days in presence of 10% FBS/40% human serum by luciferase reporter gene assay
50002672	5	ChEMBL_1771325 (CHEMBL4223437)	Binding affinity to CA-SP1 P373S/T371A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 4 to 5 days in presence of 10% FBS by luciferase reporter gene assay
50002672	6	ChEMBL_1771326 (CHEMBL4223438)	Binding affinity to CA-SP1 P373S/V362I double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 4 to 5 days in presence of 10% FBS by luciferase reporter gene assay
50002672	7	ChEMBL_1771334 (CHEMBL4223446)	Binding affinity to CA-SP1 P373S/A364V double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 72 hrs by luciferase reporter gene assay
50002672	8	ChEMBL_1771321 (CHEMBL4223433)	Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yield after 4 to 5 days in presence of 10% FBS/27 mg/ml HSA/40% human serum by luciferase reporter gene assay
50002673	1	ChEMBL_1771368 (CHEMBL4223480)	Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs
50002673	2	ChEMBL_1771367 (CHEMBL4223479)	Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 6 hrs
50002673	3	ChEMBL_1771370 (CHEMBL4223482)	Inhibition of African green monkey SOAT1 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 mins
50002673	4	ChEMBL_1771371 (CHEMBL4223483)	Inhibition of African green monkey SOAT2 isolated from CHO cell microsomes assessed as decrease in [14C]CE synthesis from [14C]oleic acid after 5 mins
50002675	1	ChEMBL_1771413 (CHEMBL4223525)	Activity at TP receptor (unknown origin)
50002675	2	ChEMBL_1771377 (CHEMBL4223489)	Partial agonist activity at human EP4 receptor expressed in HEK293-AEQ17 cells assessed as cAMP accumulation by aequorin luminescence assay
50002675	3	ChEMBL_1771379 (CHEMBL4223491)	Displacement of [3H]PGE2 from human EP4 receptor expressed in HEK 293 (EBNA) cell membranes incubated for 60 mins by scintillation counting method
50002675	4	ChEMBL_1771380 (CHEMBL4223492)	Inhibition of human recombinant CYP1A2
50002675	5	ChEMBL_1771381 (CHEMBL4223493)	Inhibition of human recombinant CYP2C19
50002675	6	ChEMBL_1771384 (CHEMBL4223496)	Inhibition of human recombinant CYP3A4 using DEF substrate
50002675	7	ChEMBL_1771406 (CHEMBL4223518)	Activity at EP1 receptor (unknown origin)
50002675	8	ChEMBL_1771383 (CHEMBL4223495)	Inhibition of human recombinant CYP2D6
50002675	9	ChEMBL_1771404 (CHEMBL4223516)	Partial agonist activity at EP4 receptor in human whole blood assessed as inhibition of LPS-induced TNFalpha production
50002675	10	ChEMBL_1771409 (CHEMBL4223521)	Activity at DP1 receptor (unknown origin)
50002675	11	ChEMBL_1771382 (CHEMBL4223494)	Inhibition of human recombinant CYP2C9
50002675	12	ChEMBL_1771385 (CHEMBL4223497)	Inhibition of human recombinant CYP3A4 using 7BQ substrate
50002675	13	ChEMBL_1771410 (CHEMBL4223522)	Activity at FP receptor (unknown origin)
50002675	14	ChEMBL_1771408 (CHEMBL4223520)	Activity at EP3 receptor (unknown origin)
50002676	1	ChEMBL_1771432 (CHEMBL4223544)	Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition measured every 1 min within 8 to 15 mins by FRET assay
50002676	2	ChEMBL_1771435 (CHEMBL4223547)	Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition measured every 1 min within 8 to 15 mins by FRET assay
50002676	3	ChEMBL_1771434 (CHEMBL4223546)	Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition measured every 1 min within 8 to 15 mins by FRET assay
50002676	4	ChEMBL_1771433 (CHEMBL4223545)	Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition measured every 1 min within 8 to 15 mins by FRET assay
50002677	1	ChEMBL_1771437 (CHEMBL4223549)	Inhibition of Anti-Fas antibody-induced caspase-3 activity in human Jurkat E6-1 cells using Ac-DEVD-AMC substrate by fluorescence based assay
50002678	1	ChEMBL_1771455 (CHEMBL4223567)	Inhibition of N-terminal poly-His tagged recombinant HCV genotype 2b NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET peptide substrate by FRET assay
50002678	2	ChEMBL_1771452 (CHEMBL4223564)	Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET peptide substrate by FRET assay
50002678	3	ChEMBL_1771456 (CHEMBL4223568)	Inhibition of N-terminal poly-His tagged recombinant HCV genotype 3a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET peptide substrate by FRET assay
50002679	1	ChEMBL_1771487 (CHEMBL4223599)	Binding affinity to VBC complex (unknown origin) by ITC assay
50002679	2	ChEMBL_1771486 (CHEMBL4223598)	Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assay
50002681	1	ChEMBL_1771490 (CHEMBL4223602)	Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting method
50002681	2	ChEMBL_1771495 (CHEMBL4223607)	Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method
50002682	1	ChEMBL_1771599 (CHEMBL4223711)	Inhibition of DGAT1 (unknown origin)
50002682	2	ChEMBL_1771597 (CHEMBL4223709)	Inhibition of human ERG
50002682	3	ChEMBL_1771596 (CHEMBL4223708)	Agonist activity at GPR119 (unknown origin)
50002683	1	ChEMBL_1771627 (CHEMBL4223739)	Inhibition of KCl-induced cytosolic voltage gated calcium channel opening in human SH-SY5Y cells by Fluo-4 AM dye based fluorescence assay
50002684	1	ChEMBL_1771644 (CHEMBL4223756)	Inhibition of His-tagged human BRD4-BD1 using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by AlphaScreen assay
50002684	2	ChEMBL_1771645 (CHEMBL4223757)	Inhibition of BRD4-BD1 in human Raji cells assessed as downregulation of MYC gene expression by PCR method
50002684	3	ChEMBL_1771651 (CHEMBL4223763)	Inhibition of human ATAD2A by AlphaScreen assay
50002684	4	ChEMBL_1771652 (CHEMBL4223764)	Inhibition of human GCN5L2 by AlphaScreen assay
50002685	1	ChEMBL_1771680 (CHEMBL4223792)	Reversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay
50002685	2	ChEMBL_1771661 (CHEMBL4223773)	Inhibition of human TGase 2 using R-I-Cad/DMC as substrate preincubated for 5 mins followed by substrate addition measured at 30 secs interval over 900 secs by fluorescence anisotropy assay
50002685	3	ChEMBL_1771658 (CHEMBL4223770)	Irreversible inhibition of human TGase 2 using Z-Glu(HMC)-Gly-OH as substrate measured at 20 secs interval over 900 secs by fluorimetric assay
50002685	4	ChEMBL_1771668 (CHEMBL4223780)	Inhibition of TGase 2 in human A375 cells using R-I-Cad/DMC as substrate preincubated for 5 mins followed by substrate addition measured at 30 secs interval over 900 secs by fluorescence anisotropy assay
50002687	1	ChEMBL_1771688 (CHEMBL4223800)	Inhibition of human SPT2 transfected in Freestyle293 cells using L-serine and palmitoyl-CoA as substrate preincubated for 60 mins followed by substrate addition measured after 15 mins by mass spectrometric analysis
50002688	1	ChEMBL_1771714 (CHEMBL4223826)	Inhibition of neonatal Nav1.5 in human MDA-MB-231 cells assessed as reduction in inward sodium peak current at -100 mV holding potential after 5 to 10 mins by whole cell patch clamp method
50002689	1	ChEMBL_1771728 (CHEMBL4223840)	Agonist activity at recombinant human GLP1 receptor expressed in HEK293 cells assessed as cAMP accumulation by TR-FRET assay
50002690	1	ChEMBL_1771778 (CHEMBL4223890)	Inhibition of recombinant human MAGL using 7-HRA as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50002690	2	ChEMBL_1771780 (CHEMBL4223892)	Activation of recombinant human MAGL using 7-HRA as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay
50002690	3	ChEMBL_1771781 (CHEMBL4223893)	Inhibition of MAGL in mouse B16-F10 cells using 7-HRA as substrate preincubated for 60 mins followed by substrate addition measured every 2.5 mins for 2 hrs by fluorescence assay
50002690	4	ChEMBL_1771782 (CHEMBL4223894)	Activation of MAGL in mouse B16-F10 cells using 7-HRA as substrate preincubated for 60 mins followed by substrate addition measured every 2.5 mins for 2 hrs by fluorescence assay
50002691	1	ChEMBL_1771863 (CHEMBL4223975)	Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase assessed as reduction in viral replication after 72 hrs by indirect immunofluorescence assay
50002691	2	ChEMBL_1771864 (CHEMBL4223976)	Inhibition of human ERG
50002691	3	ChEMBL_1771872 (CHEMBL4223984)	Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase
50002692	1	ChEMBL_1771895 (CHEMBL4224007)	Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization pretreated for 15 mins followed by TFLLRN-NH2 addition measured at 5 secs interval for 250 secs by Fluo-4/AM dye based fluorescence assay
50002692	2	ChEMBL_1771896 (CHEMBL4224008)	Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization pretreated for 15 mins followed by SLIGKV-NH2 addition measured at 5 secs interval for 250 secs by Fluo-4/AM dye based fluorescence assay
50002693	1	ChEMBL_1771904 (CHEMBL4224016)	Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes
50002693	2	ChEMBL_1771903 (CHEMBL4224015)	Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes
50002693	3	ChEMBL_1771908 (CHEMBL4224020)	Displacement of [3H]astemizole from human ERG expressed in HEK cell membranes after 60 mins by scintillation counting method
50002693	4	ChEMBL_1771906 (CHEMBL4224018)	Inverse agonist activity human CB1 expressed in CHOK1 cells co-expressing Galpha-q16 incubated for 60 secs by Calcein-4 AM dye-based FLIPR assay
50002695	1	ChEMBL_1771931 (CHEMBL4224043)	Inhibition of Plasmodium falciparum 3D7 FLN (55 to 1193 residues) expressed in Escherichia coli BL21 using Dabcyl-HKRHSFRMRG-EDANS as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by fluorescence assay
50002696	1	ChEMBL_1771933 (CHEMBL4224045)	Inhibition of Pneumocystis jirovecii recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH
50002696	2	ChEMBL_1771934 (CHEMBL4224046)	Inhibition of human recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH
50002698	1	ChEMBL_1771939 (CHEMBL4224051)	Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPH
50002699	1	ChEMBL_1771965 (CHEMBL4224077)	Inhibition of human DAAO using D-kynurenine as substrate
50002700	1	ChEMBL_1771966 (CHEMBL4224078)	Displacement of TAMRA-Bak peptide from His6-MBP-tagged recombinant human MCl-1 (172 to 327 residues) expressed in HMS174 (DE3) cells by fluorescence polarization assay
50002702	1	ChEMBL_1771973 (CHEMBL4224085)	Inhibition of Aurora A (unknown origin) using kemptide as substrate after 30 mins by kinase-Glo luminescence method
50002702	2	ChEMBL_1771974 (CHEMBL4224086)	Inhibition of Aurora B (unknown origin) using kemptide as substrate after 30 mins by kinase-Glo luminescence method
50002703	1	ChEMBL_1772006 (CHEMBL4224118)	Inhibition of Mycobacterium tuberculosis PknB (279 residues) expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in PknB autophosphorylation preincubated for 30 mins followed by ATP addition measured after 3 hrs by Kinase Glo luminescence assay
50002704	1	ChEMBL_1772018 (CHEMBL4224130)	Positive allosteric modulation of recombinant rat GluN1alpha/GluN2B receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced current response at holding potential -60mV by whole cell voltage clamp method
50002704	2	ChEMBL_1772025 (CHEMBL4224137)	Positive allosteric modulation of recombinant rat GluN1alpha/GluN2A receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced current response at holding potential -60mV by whole cell voltage clamp method
50002704	3	ChEMBL_1772026 (CHEMBL4224138)	Positive allosteric modulation of recombinant rat GluN1alpha/GluN2C receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced current response at holding potential -60mV by whole cell voltage clamp method
50002704	4	ChEMBL_1772027 (CHEMBL4224139)	Positive allosteric modulation of recombinant rat GluN1alpha/GluN2D receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced current response at holding potential -60mV by whole cell voltage clamp method
50002705	1	ChEMBL_1772039 (CHEMBL4224151)	Positive allosteric modulation of human muscarinic M1 receptor expressed in CHO cells assessed as increase in ACh-induced intracellular calcium level preincubated for 10 mins followed by ACh addition measured every 2 secs for 80 secs by Fluo-4 dye-based FLIPR assay
50002706	1	ChEMBL_1772068 (CHEMBL4224180)	Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 mins by Fluo-4 NW dye-based fluorescence assay
50002706	2	ChEMBL_1772070 (CHEMBL4224182)	Agonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as increase in calcium influx after 25 mins by Fluo-4 NW dye-based fluorescence assay
50002707	1	ChEMBL_1772112 (CHEMBL4224224)	Inhibition of DHODH (unknown origin) expressed in Escherichia coli Rosetta2(DE3) assessed as reduction of DCIP using dihydroorotate as substrate preincubated for 30 mins followed by substrate addition in presence of CoQ10 measured after 1 hr
50002708	1	ChEMBL_1772158 (CHEMBL4224270)	Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 48 hrs by thioflavin T-based fluorometric assay
50002709	1	ChEMBL_1772203 (CHEMBL4224315)	Inhibition of human alpha9/alpha10 nACHR (1:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002709	2	ChEMBL_1772212 (CHEMBL4224324)	Inhibition of human alpha9 N154G mutant/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002709	3	ChEMBL_1772210 (CHEMBL4224322)	Inhibition of human alpha9/alpha10 nACHR (3:1) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002709	4	ChEMBL_1772211 (CHEMBL4224323)	Inhibition of human alpha9 N154G mutant/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002709	5	ChEMBL_1772209 (CHEMBL4224321)	Inhibition of human alpha9/alpha10 nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002709	6	ChEMBL_1772213 (CHEMBL4224325)	Inhibition of human alpha9/alpha10 G154N mutant nACHR (1:3) expressed in Xenopus laevis oocyte assessed as inhibition of ACh induced channel current measured for 2 to 5 days at -80 mV holding potential by two electrode voltage clamp method
50002710	1	ChEMBL_1772222 (CHEMBL4224334)	Inhibition of ERK2 (unknown origin)
50002710	2	ChEMBL_1772219 (CHEMBL4224331)	Inhibition of ERK2 (unknown origin) preincubated for 45 mins followed by substrate addition measured after 0.5 hrs by IMAP assay
50002711	1	ChEMBL_1772287 (CHEMBL4224399)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002711	2	ChEMBL_1772289 (CHEMBL4224401)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002711	3	ChEMBL_1772288 (CHEMBL4224400)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002711	4	ChEMBL_1772290 (CHEMBL4224402)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002711	5	ChEMBL_1772291 (CHEMBL4224403)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002712	1	ChEMBL_1772296 (CHEMBL4224408)	Inhibition of CK2alpha (unknown origin) (2 to 329 residues) expressed in Escherichia coli BL21 (DE3) interaction with CK2beta (unknown origin) using fluorescein tagged RLYGFKIHPMAYQLQ probe after 10 mins by fluorescence polarization assay
50002712	2	ChEMBL_1772299 (CHEMBL4224411)	Inhibition of GST-tagged human recombinant CK2alpha (1 to 335 residues) expressed in Escherichia coli BL21 by radiometric kinase assay
50002712	3	ChEMBL_1772294 (CHEMBL4224406)	Inhibition of CK2alpha (unknown origin) (2 to 329 residues) expressed in Escherichia coli BL21 (DE3) using RRRADDSDDDD substrate incubated for 40 mins by ADP-Glo kinase assay
50002712	4	ChEMBL_1772295 (CHEMBL4224407)	Inhibition of CLK2 (unknown origin)
50002712	5	ChEMBL_1772298 (CHEMBL4224410)	Inhibition of [35S]methionine-labelled human recombinant His6-tagged CK2alpha/MBP-tagged CK2beta (unknown origin) interaction incubated for 1 hr by scintillation counting method
50002713	1	ChEMBL_1772315 (CHEMBL4224427)	Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDAEFRHDSGC-Eu after 3 hrs by HTRF assay
50002713	2	ChEMBL_1772314 (CHEMBL4224426)	Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs by HTRF assay
50002713	3	ChEMBL_1772319 (CHEMBL4224431)	Inhibition of BACE2 (unknown origin)
50002713	4	ChEMBL_1772302 (CHEMBL4224414)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis
50002713	5	ChEMBL_1772318 (CHEMBL4224430)	Inhibition of Cathepsin D (unknown origin)
50002714	1	ChEMBL_1772375 (CHEMBL4224487)	Inhibition of STAT3 (unknown origin) expressed in human HCT116 cells after 24 hrs by dual-luciferase reporter gene assay
50002714	2	ChEMBL_1772378 (CHEMBL4224490)	Inhibition of STAT3 phosphorylation at Tyr705 residues in human DU145 cells after 24 hrs by Western blot analysis
50002715	1	ChEMBL_1772461 (CHEMBL4224573)	Inhibition of recombinant human rhinovirus protease 3C using fluorogenic-Dabcyl-KTSAVLQSGFRKME-Edan as substrate after 5 mins by FRET assay
50002715	2	ChEMBL_1772460 (CHEMBL4224572)	Inhibition of human coxsackievirus B3 protease 3C expressed in Escherichia coli (BL21) using fluorogenic-Dabcyl-KEALFQGPPQFE-Edans as substrate after 1 hr by FRET assay
50002716	1	ChEMBL_1772472 (CHEMBL4224584)	Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay
50002716	2	ChEMBL_1772474 (CHEMBL4224586)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pBR322 as substrate after 30 mins by agarose gel electrophoresis
50002716	3	ChEMBL_1772479 (CHEMBL4224591)	Inhibition of human ERG expressed in CHO cells using -80 mV holding potential measured after 3 mins
50002717	1	ChEMBL_1772481 (CHEMBL4224593)	Binding affinity to human factor 10a using S-2765 as substrate preincubated for 15 mins followed by substrate addition measured between 1 and 5 mins post substrate treatment
50002718	1	ChEMBL_1772529 (CHEMBL4224641)	Inhibition of chymotrypsin-like activity of 20S proteasome in human LNCAP cell extract using Suc-LLVYaminoluciferin as substrate after 2 hrs
50002718	2	ChEMBL_1772524 (CHEMBL4224636)	Inhibition of trypsin-like activity of 20S proteasome in human K562 cells using Z-LRRaminoluciferin as substrate after 2 hrs by luminescence assay
50002718	3	ChEMBL_1772523 (CHEMBL4224635)	Inhibition of chymotrypsin-like activity of 20S proteasome in human K562 cells using Suc-LLVYaminoluciferin as substrate after 2 hrs by luminescence assay
50002718	4	ChEMBL_1772525 (CHEMBL4224637)	Inhibition of PGPH activity of 20S proteasome in human K562 cells using Z-nLPnLDaminoluciferin as substrate after 2 hrs by luminescence assay
50002718	5	ChEMBL_1772528 (CHEMBL4224640)	Inhibition of chymotrypsin-like activity of 20S proteasome in human PC3 cell extract using Suc-LLVYaminoluciferin as substrate after 2 hrs
50002719	1	ChEMBL_1772532 (CHEMBL4224644)	Inhibition of recombinant human ACC1 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALDI-TOF-MS analysis
50002719	2	ChEMBL_1772538 (CHEMBL4224650)	Inhibition of CYP3A4 (unknown origin)
50002719	3	ChEMBL_1772535 (CHEMBL4224647)	Inhibition of CYP2C19 (unknown origin)
50002719	4	ChEMBL_1772534 (CHEMBL4224646)	Inhibition of CYP1A2 (unknown origin)
50002719	5	ChEMBL_1772531 (CHEMBL4224643)	Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALDI-TOF-MS analysis
50002719	6	ChEMBL_1772536 (CHEMBL4224648)	Inhibition of CYP2C9 (unknown origin)
50002719	7	ChEMBL_1772537 (CHEMBL4224649)	Inhibition of CYP2D6 (unknown origin)
50002720	1	ChEMBL_1772654 (CHEMBL4229646)	Inhibition of activation of recombinant human pro-heparanase expressed in CHO cells by dimethylmethylene blue based assay
50002720	2	ChEMBL_1772653 (CHEMBL4229645)	Inhibition of N-terminal 6His-tagged human recombinant p70S6K T412E mutant (1 to 421 residues) in Sf21 insect cells using FITC-AHA-AKRRRLSSLRA-OH substrate peptide incubated for 90 mins
50002720	3	ChEMBL_1772659 (CHEMBL4229651)	Inhibition of EGFR (unknown origin)
50002720	4	ChEMBL_1772657 (CHEMBL4229649)	Inhibition of JAK3 (unknown origin)
50002720	5	ChEMBL_1772646 (CHEMBL4229638)	Activation of caspase cascade in human T47D cells using N-(Ac-DEVD)-N'-ethoxycarbonyl-R110 fluorogenic substrate incubated for 48 hrs by fluorescent plate reader based assay
50002721	1	ChEMBL_1772676 (CHEMBL4229668)	Inhibition of TMR-GG-RLSHpSSLPG-NH2 binding to recombinant human GST-tagged 14-3-3-sigma preincubated for 30 mins followed by TMR-GG-RLSHpSSLPG-NH2 addition and measured after 60 mins by fluorescence polarization assay
50002721	2	ChEMBL_1772677 (CHEMBL4229669)	Binding affinity to human full length 14-3-3zeta by fluorescence polarization assay
50002721	3	ChEMBL_1772681 (CHEMBL4229673)	Binding affinity to recombinant human His-tagged 14-3-3zeta expressed in Escherichia coli K12 by ITC method
50002721	4	ChEMBL_1772679 (CHEMBL4229671)	Binding affinity to GST-tagged 14-3-3-gamma (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS40 in African green monkey COS7 cells preincubated with protein followed by cell addition by ELISA
50002721	5	ChEMBL_1772678 (CHEMBL4229670)	Binding affinity to GST-tagged 14-3-3-zeta (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS40 in African green monkey COS7 cells preincubated with protein followed by cell addition by ELISA
50002722	1	ChEMBL_1772749 (CHEMBL4229741)	Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of 0.1 nM recombinant human C5a-induced intracellular calcium release
50002722	2	ChEMBL_1772742 (CHEMBL4229734)	Inhibition of C3bi-AP binding to CR3 derived from human PMN
50002722	3	ChEMBL_1772728 (CHEMBL4229720)	Binding affinity to human factor D by SPR analysis
50002722	4	ChEMBL_1772720 (CHEMBL4229712)	Inhibition of human factor B-induced cleavage of C3 after 3 hrs by coomassie brilliant blue staining-based gel electrophoresis
50002722	5	ChEMBL_1772709 (CHEMBL4229701)	Inhibition of MASP1 (unknown origin)-induced lectin pathway by ELISA
50002722	6	ChEMBL_1772733 (CHEMBL4229725)	Inhibition of factor D in zymogen-activated rat serum assessed as decrease in human erythrocyte lysis
50002722	7	ChEMBL_1772702 (CHEMBL4229694)	Inhibition of human His-tagged MASP-2 (Cys300 to Phe686 residues) expressed in baculovirus infected insect cells using Z-Gly-Arg-S-Bzl as substrate preincubated with substrate for 10 mins followed by enzyme addition and measured for 15 mins
50002722	8	ChEMBL_1772691 (CHEMBL4229683)	Inhibition of human C1s esterolytic activity using benzyloxycarbonyl-Lys-thiobenzyl as substrate
50002722	9	ChEMBL_1772714 (CHEMBL4229706)	Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as suppression of human erythrocyte lysis after 1 hr by ELISA
50002722	10	ChEMBL_1772753 (CHEMBL4229745)	Antagonist activity at C5aR1 in human neutrophils assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followed by C5a-induction and measured after 1 hr by fluorometer
50002722	11	ChEMBL_1772750 (CHEMBL4229742)	Antagonist activity at recombinant human C5aR1 expressed in Sf9 insect cell membranes co-expressing G-alphai2,G-beta1 and G-gamma2 assessed as inhibition of recombinant human C5a-induced [35S]GTPgammaS binding after 60 mins by liquid scintillation spectrometry
50002722	12	ChEMBL_1772746 (CHEMBL4229738)	Antagonist activity at C5aR1 in HMDM assessed as inhibition of 1 nM recombinant human C5a-induced intracellular calcium release preincubated for 1 hr followed by human C5a-induction and measured after 60 hrs by FLIPR assay
50002722	13	ChEMBL_1772743 (CHEMBL4229735)	Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-labeled human PMN assessed as inhibition of TNF/PMA-stimulated adhesion of PMN to fibrinogen preincubated for 10 mins followed by TNF/PMA addition by fluorescence assay
50002722	14	ChEMBL_1772738 (CHEMBL4229730)	Displacement of 125I-C3a from recombinant human C3aR expressed in HEK293 cell membranes after 3 hrs by scintillation proximity assay
50002722	15	ChEMBL_1772729 (CHEMBL4229721)	Inhibition of human factor D using C3b as substrate assessed as decrease in formation of factor B cleavage product Ba
50002722	16	ChEMBL_1772723 (CHEMBL4229715)	Inhibition of human factor D using CVF-FB as substrate assessed as decrease in formation of factor B cleavage product Ba by ELISA
50002722	17	ChEMBL_1772716 (CHEMBL4229708)	Inhibition of C3 in human serum by ELISA
50002722	18	ChEMBL_1772713 (CHEMBL4229705)	Inhibition of human serum C2-mediated lysis of antibody-sensitized sheep red blood cells after 30 mins by UV-Vis spectrophotometric method
50002722	19	ChEMBL_1772708 (CHEMBL4229700)	Inhibition of recombinant CP1-CCP2-SP fragment of MASP-2 (unknown origin)
50002722	20	ChEMBL_1772704 (CHEMBL4229696)	Inhibition of MASP-2 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition
50002722	21	ChEMBL_1772700 (CHEMBL4229692)	Inhibition of human plasma C1s using Cbz-Gly-Arg-S-Bzl as substrate preincubated with substrate for 15 mins followed by enzyme addition and measured after 5 mins
50002722	22	ChEMBL_1772689 (CHEMBL4229681)	Inhibition of human serum C1r using AAME as substrate after 30 mins
50002722	23	ChEMBL_1772701 (CHEMBL4229693)	Inhibition of factor D in human serum assessed as decrease in alternative pathway of complement-mediated hemolysis of PNH erythrocytes
50002722	24	ChEMBL_1772718 (CHEMBL4229710)	Binding affinity to C3 derived from human plasma by ITC analysis
50002722	25	ChEMBL_1772697 (CHEMBL4229689)	Inhibition of human plasma C1r using Cbz-Gly-Arg-S-Bzl as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by DTNB reagent-based two-beam microtiter plate photometer
50002722	26	ChEMBL_1772719 (CHEMBL4229711)	Binding affinity to C3b derived from human plasma by SPR analysis
50002722	27	ChEMBL_1772706 (CHEMBL4229698)	Inhibition of MASP-1-mediated C3 deposition in human serum after 30 mins by ELISA
50002722	28	ChEMBL_1772694 (CHEMBL4229686)	Inhibition of human serum C1s-mediated lysis of rabbit Ab-sensitized sheep erythrocytes after 60 mins
50002722	29	ChEMBL_1772732 (CHEMBL4229724)	Inhibition of factor D in zymogen-activated human serum assessed as decrease in human erythrocyte lysis
50002722	30	ChEMBL_1772756 (CHEMBL4229748)	Antagonist activity at C5aR1 in human blood granulocytes assessed as inhibition of recombinant human C5a-induced CD11b expression on granulocytes preincubated for 15 mins followed by C5a-induction and measured after 2 to 5 mins by flow cytometric analysis
50002722	31	ChEMBL_1772755 (CHEMBL4229747)	Antagonist activity at C5aR1 in human HL60 cells assessed as inhibition of recombinant human C5a-induced oxidative burst after 30 mins by fluorescence assay
50002722	32	ChEMBL_1772752 (CHEMBL4229744)	Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced chemotaxis preincubated for 30 mins followed by C5a-induction and measured after 1 hr by fluorometer
50002722	33	ChEMBL_1772751 (CHEMBL4229743)	Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced intracellular calcium mobilization preincubated for 1 hr followed by human C5a-induction by Fluo-3 dye-based FLIPR assay
50002722	34	ChEMBL_1772745 (CHEMBL4229737)	Antagonist activity at C5aR1 in HMDM
50002722	35	ChEMBL_1772744 (CHEMBL4229736)	Antagonist activity at C5aR1 in human PMN
50002722	36	ChEMBL_1772741 (CHEMBL4229733)	Antagonist activity at C3aR in HMDM assessed as inhibition of agonist-induced Ca2+ release
50002722	37	ChEMBL_1772740 (CHEMBL4229732)	Agonist activity at C3aR in HMDM assessed as induction of Ca2+ release
50002722	38	ChEMBL_1772739 (CHEMBL4229731)	Agonist activity at C3aR in HMDM assessed as induction of Ca2+ release measured for 5 mins by Fluo-3 AM dye-based fluorescence assay
50002722	39	ChEMBL_1772731 (CHEMBL4229723)	Displacement of Cy5 from recombinant human biotin labeled factor D expressed in Escherichia coli after 2 hrs by TR-FRET assay
50002722	40	ChEMBL_1772730 (CHEMBL4229722)	Inhibition of factor D in human serum assessed as decrease in C3 deposition on PNH erythrocytes
50002722	41	ChEMBL_1772727 (CHEMBL4229719)	Inhibition of human factor D expressed in Escherichia coli using CVF-FB as substrate assessed as decrease in formation of factor B cleavage product Ba after 1 hr by ELISA
50002722	42	ChEMBL_1772726 (CHEMBL4229718)	Inhibition of factor D in human serum assessed as decrease in lysis of human erythrocytes after 1 hr
50002722	43	ChEMBL_1772725 (CHEMBL4229717)	Inhibition of factor D in human serum assessed as decrease in C3 deposition on human erythrocytes after 1 hr
50002722	44	ChEMBL_1772722 (CHEMBL4229714)	Inhibition of recombinant human factor B expressed in drosophila cells assessed as decrease in C3a formation using CVF-Bb complex and human complement C3 substrate in presence of human factor D after 1 hr by ELISA
50002722	45	ChEMBL_1772721 (CHEMBL4229713)	Displacement of Cy5 from recombinant human biotin-labeled factor B expressed in drosophila cells after 2 hrs by TR-FRET assay
50002722	46	ChEMBL_1772715 (CHEMBL4229707)	Inhibition of C3 (unknown origin)-binding to convertase of alternative pathway by hemolytic assay
50002722	47	ChEMBL_1772717 (CHEMBL4229709)	Inhibition of C3 (unknown origin)-binding to convertase of classical pathway by hemolytic assay
50002722	48	ChEMBL_1772712 (CHEMBL4229704)	Inhibition of C2-mediated MAC formation in human serum by ELISA
50002722	49	ChEMBL_1772711 (CHEMBL4229703)	Inhibition of human C2-mediated C3 processing after 24 hrs by SDS-PAGE
50002722	50	ChEMBL_1772757 (CHEMBL4229749)	Inhibition of MASP2 (unknown origin)-induced lectin pathway by ELISA
50002722	51	ChEMBL_1772707 (CHEMBL4229699)	Inhibition of recombinant CP1-CCP2-SP fragment of MASP-1 (unknown origin)
50002722	52	ChEMBL_1772705 (CHEMBL4229697)	Inhibition of MASP-2-mediated C4 deposition in human serum after 1 hr by ELISA
50002722	53	ChEMBL_1772703 (CHEMBL4229695)	Inhibition of MASP-1 (unknown origin) using Z-L-LysSBzl hydrochloride as substrate preincubated for 1 hr followed by substrate addition
50002722	54	ChEMBL_1772699 (CHEMBL4229691)	Inhibition of C1s (unknown origin) using Cbz-Gly-Arg-S-Bzl as substrate preincubated with substrate for 15 mins followed by enzyme addition and measured after 5 mins
50002722	55	ChEMBL_1772698 (CHEMBL4229690)	Inhibition of human plasma C1s using Cbz-Gly-Arg-S-Bzl as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by DTNB reagent-based two-beam microtiter plate photometer
50002722	56	ChEMBL_1772692 (CHEMBL4229684)	Inhibition of human factor D esterolytic activity using benzyloxycarbonyl-Lys-thiobenzyl as substrate
50002722	57	ChEMBL_1772754 (CHEMBL4229746)	Antagonist activity at C5aR1 in human U937 cells assessed as inhibition of recombinant human C5a-induced cell degranulation preincubated for 30 mins followed by C5a-induction and measured after 30 mins by beta-glucuronidase activity-based assay
50002722	58	ChEMBL_1772724 (CHEMBL4229716)	Inhibition of factor D in human plasma assessed as decrease in alternative pathway-mediated MAC formation preincubated for 30 mins measured after 30 mins by fluorometer.
50002722	59	ChEMBL_1772710 (CHEMBL4229702)	Competitive/reversible inhibition of human C2 using Ac-SHLGLAR-pNA as substrate
50002722	60	ChEMBL_1772690 (CHEMBL4229682)	Inhibition of human serum C1s using AGLME as substrate after 30 mins
50002722	61	ChEMBL_1772736 (CHEMBL4229728)	Displacement of 125I-C3a from human C3aR expressed in RBL-2H3 cells
50002722	62	ChEMBL_1772737 (CHEMBL4229729)	Antagonist activity at human C3aR expressed in RBL-2H3 cells assessed as inhibition of C3a-induced intracellular calcium mobilization
50002723	1	ChEMBL_1772775 (CHEMBL4229767)	Inhibition of human SERT expressed in HEK293 cells assessed as decrease in [3H]-serotonin reuptake after 10 mins by scintillation counting method
50002723	2	ChEMBL_1772776 (CHEMBL4229768)	Inhibition of human NET expressed in MDCK cells assessed as decrease in [3H]-noradrenaline reuptake after 10 mins by scintillation counting method
50002723	3	ChEMBL_1772777 (CHEMBL4229769)	Inhibition of human DAT expressed in CHOK1 cells assessed as decrease in [3H]-dopamine reuptake after 10 mins by scintillation counting method
50002723	4	ChEMBL_1772783 (CHEMBL4229775)	Inhibition of human ACE using Hip-His-Leu-OH as substrate after 1 hr by fluorimetric method
50002723	5	ChEMBL_1772773 (CHEMBL4229765)	Displacement of [3H]-DTG from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method
50002723	6	ChEMBL_1772760 (CHEMBL4229752)	Inhibition of bovine alpha-chymotrypsin using succinyl Ala-Ala-Pro-Phe-p-nitroanilide as substrate after 1 hr by Dixon plot analysis
50002723	7	ChEMBL_1772762 (CHEMBL4229754)	Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3)
50002723	8	ChEMBL_1772763 (CHEMBL4229755)	Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 15 to 30 mins
50002723	9	ChEMBL_1772769 (CHEMBL4229761)	Inhibition of Influenza A virus M2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50002723	10	ChEMBL_1772772 (CHEMBL4229764)	Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method
50002723	11	ChEMBL_1772779 (CHEMBL4229771)	Agonist activity at rat GPR109A expressed in T-REx-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forskolin stimulation and measured after 20 mins by TR-FRET assay
50002723	12	ChEMBL_1772764 (CHEMBL4229756)	Inhibition of human recombinant HDAC2 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 15 to 30 mins
50002723	13	ChEMBL_1772778 (CHEMBL4229770)	Agonist activity at rat GPR81 expressed in T-REx-CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed by forskolin stimulation and measured after 20 mins by TR-FRET assay
50002723	14	ChEMBL_1772781 (CHEMBL4229773)	Inhibition of N-terminal His-tagged XIAP BIR3 domain (241 to 356 residues) (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by TR-FRET assay
50002723	15	ChEMBL_1772782 (CHEMBL4229774)	Inhibition of N-terminal His-tagged XIAP BIR2-3 domain (125 to 356 residues) C202A/C213G mutant (unknown origin) using fluorescein labeled SMAC peptide as substrate after 60 mins by HTRF assay
50002723	16	ChEMBL_1772758 (CHEMBL4229750)	Inhibition of rabbit lung ACE using N-[3-(2-furyl)acryloyl]-Phe-Gly-Gly as substrate
50002723	17	ChEMBL_1772761 (CHEMBL4229753)	Inhibition of HIV protease
50002724	1	ChEMBL_1772818 (CHEMBL4229810)	Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA.HCl as substrate
50002724	2	ChEMBL_1772784 (CHEMBL4229776)	Inhibition of bovine alpha thrombin using H-D-Phe-PigArg-pNA as substrate by spectrophotometer
50002724	3	ChEMBL_1772798 (CHEMBL4229790)	Inhibition of human thrombin
50002724	4	ChEMBL_1772804 (CHEMBL4229796)	Inhibition of recombinant human factor 9a using MS-D-HHT-Gly-Arg-pNA as substrate by Lineweaver-Burk plot method
50002724	5	ChEMBL_1772793 (CHEMBL4229785)	Inhibition of human thrombin using tosyl-glycyl-prolyl-arginine-4-nitranilide acetate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometer
50002724	6	ChEMBL_1772820 (CHEMBL4229812)	Competitive inhibition of human plasma kallikrein using S2302 as substrate by UV-visible spectrophotometer
50002724	7	ChEMBL_1772799 (CHEMBL4229791)	Inhibition of human thrombin using spectrozyme PL as substrate
50002724	8	ChEMBL_1772801 (CHEMBL4229793)	Inhibition of thrombin (unknown origin)
50002724	9	ChEMBL_1772806 (CHEMBL4229798)	Inhibition of recombinant human factor 9a
50002724	10	ChEMBL_1772808 (CHEMBL4229800)	Inhibition of human factor 10a using pefachrome F10a as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins
50002724	11	ChEMBL_1772821 (CHEMBL4229813)	Competitive inhibition of human plasmin using chromozyme PL as substrate by UV-visible spectrophotometer
50002724	12	ChEMBL_1772822 (CHEMBL4229814)	Competitive inhibition of human factor 10a using pefachrome F10a as substrate by UV-visible spectrophotometer
50002724	13	ChEMBL_1772802 (CHEMBL4229794)	Inhibition of human TF/F7a using spectrozyme f7a as substrate
50002724	14	ChEMBL_1772823 (CHEMBL4229815)	Competitive inhibition of human factor 11a using pefachrome PCa as substrate by UV-visible spectrophotometer
50002724	15	ChEMBL_1772794 (CHEMBL4229786)	Inhibition of human trypsin
50002725	1	ChEMBL_1772842 (CHEMBL4229834)	Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method
50002725	2	ChEMBL_1772846 (CHEMBL4229838)	Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method
50002725	3	ChEMBL_1772845 (CHEMBL4229837)	Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method
50002725	4	ChEMBL_1772844 (CHEMBL4229836)	Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50002725	5	ChEMBL_1772843 (CHEMBL4229835)	Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method
50002725	6	ChEMBL_1772941 (CHEMBL4229933)	Inhibition of human supersome CYP3A4 using testosterone as substrate assessed as testosterone 6beta-hydroxylation after 30 mins by HPLC-UV detection
50002725	7	ChEMBL_1773007 (CHEMBL4229999)	Agonist activity at human 5-HT1AR expressed in HEK293 cells assessed as increase in calcium flux by fluorimetric method
50002725	8	ChEMBL_1772963 (CHEMBL4229955)	Displacement of [3H]LSD from recombinant human 5-HT7R after 120 mins by scintillation counting method
50002725	9	ChEMBL_1772885 (CHEMBL4229877)	Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysis
50002725	10	ChEMBL_1772961 (CHEMBL4229953)	Displacement of [3H]methyl-spiperone from recombinant human dopamine D2 receptor after 60 mins by scintillation counting method
50002725	11	ChEMBL_1772939 (CHEMBL4229931)	Inhibition of human supersome CYP2C19 using perazine as substrate assessed as perazine N-demethylation after 30 mins by HPLC-UV detection
50002725	12	ChEMBL_1772938 (CHEMBL4229930)	Inhibition of human supersome CYP2C9 using diclofenac as substrate assessed as diclofenac 4'-hydroxylation after 30 mins by HPLC-UV detection
50002725	13	ChEMBL_1772937 (CHEMBL4229929)	Inhibition of human supersome CYP1A2 using caffeine as substrate assessed as caffeine 3-N-demethylation after 30 mins by HPLC-UV detection
50002725	14	ChEMBL_1772848 (CHEMBL4229840)	Partial agonist activity at human 5-HT1AR expressed in CHO-K1 cells assessed as increase in cAMP accumulation by chemiluminescence-based assay
50002725	15	ChEMBL_1772886 (CHEMBL4229878)	Displacement of [3H]-WAY100635 from recombinant full-length human 5-HT1AR expressed in CHO cells after 120 mins by scintillation counting method
50002725	16	ChEMBL_1772962 (CHEMBL4229954)	Displacement of [3H]LSD from recombinant human 5-HT6R after 120 mins by scintillation counting method
50002725	17	ChEMBL_1772940 (CHEMBL4229932)	Inhibition of human supersome CYP2D6 using bufuralol as substrate assessed as bufuralol 1'-hydroxylation after 30 mins by HPLC-UV detection
50002725	18	ChEMBL_1773006 (CHEMBL4229998)	Agonist activity at human 5-HT2BR expressed in CHO cells assessed as induction of IP1 accumulation after 30 mins by HTRF method
50002725	19	ChEMBL_1772964 (CHEMBL4229956)	Displacement of [3H]imipramine from recombinant human SERT expressed in CHO cells after 60 mins by scintillation counting method
50002725	20	ChEMBL_1773008 (CHEMBL4230000)	Agonist activity at human 5-HT1AR expressed in CHO-K1 cells assessed as increase in calcium flux by fluorimetric method
50002726	1	ChEMBL_1773011 (CHEMBL4230003)	Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell proliferation incubated for 48 hrs by MTT assay
50002726	2	ChEMBL_1773009 (CHEMBL4230001)	Inhibition of ABL (unknown origin) by phosphocellulose paper disk assay
50002726	3	ChEMBL_1773012 (CHEMBL4230004)	Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in cell proliferation incubated for 96 hrs by MTT assay
50002726	4	ChEMBL_1773010 (CHEMBL4230002)	Inhibition of BRAF V600E mutant (unknown origin) after 20 mins by immunoblotting assay
50002726	5	ChEMBL_1773013 (CHEMBL4230005)	Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in ABL phosphorylation at Y412 residue incubated for 3 hrs by immunoblotting assay
50002726	6	ChEMBL_1773017 (CHEMBL4230009)	Inhibition of full length FLAG-tagged BRAF V600E mutant (unknown origin) expressed in HEK293 cells assessed as decrease in MEK phosphorylation by immunoblotting assay
50002727	1	ChEMBL_1773393 (CHEMBL4230385)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric analysis
50002728	1	ChEMBL_1773397 (CHEMBL4230389)	Agonist activity at human KOR expressed in CHO cells assessed as induction of beta-arrestin-2 recruitment by enzyme fragment complementation assay
50002728	2	ChEMBL_1773399 (CHEMBL4230391)	Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by HTRF assay
50002729	1	ChEMBL_1773555 (CHEMBL4230547)	Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization assay
50002730	1	ChEMBL_1774031 (CHEMBL4231023)	Inhibition of DDR1 (unknown origin) using poly(4:1 Glu,Tyr) peptide as substrate preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ADP-Glo bioluminescence assay
50002730	2	ChEMBL_1774030 (CHEMBL4231022)	Inhibition of ABL1 (unknown origin) using poly(4:1 Glu,Tyr) peptide as substrate preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ADP-Glo bioluminescence assay
50002730	3	ChEMBL_1774027 (CHEMBL4231019)	Inhibition of PDGFRalpha (unknown origin) using poly(4:1 Glu,Tyr) peptide as substrate preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ADP-Glo bioluminescence assay
50002730	4	ChEMBL_1774029 (CHEMBL4231021)	Inhibition of c-KIT (unknown origin) using poly(4:1 Glu,Tyr) peptide as substrate preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ADP-Glo bioluminescence assay
50002730	5	ChEMBL_1774028 (CHEMBL4231020)	Inhibition of PDGFRbeta (unknown origin) using poly(4:1 Glu,Tyr) peptide as substrate preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ADP-Glo bioluminescence assay
50002731	1	ChEMBL_1774148 (CHEMBL4231140)	Inhibition of recombinant human His-tagged KDR cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system using Z'-LYTE-Tyr1 as substrate measured after 1 hr by Z'-LYTE assay
50002731	2	ChEMBL_1774164 (CHEMBL4231156)	Inhibition of recombinant human Src using Ulight-Poly GAT[EAY(1:1:1)]n as substrate measured after 10 mins by LANCE assay
50002731	3	ChEMBL_1774162 (CHEMBL4231154)	Inhibition of recombinant human PDGFRbeta using Ulight-Poly GAT[EAY(1:1:1)]n as substrate measured after 30 mins by LANCE assay
50002731	4	ChEMBL_1774163 (CHEMBL4231155)	Inhibition of recombinant human RAF1
50002731	5	ChEMBL_1774161 (CHEMBL4231153)	Inhibition of recombinant human EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 15 mins by LANCE assay
50002731	6	ChEMBL_1774160 (CHEMBL4231152)	Inhibition of recombinant human CDK1/Cyclin B using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate measured after 15 mins by LANCE assay
50002731	7	ChEMBL_1774159 (CHEMBL4231151)	Inhibition of recombinant human Aurora-A using Ulight-RRRSLLE as substrate measured after 15 mins by LANCE assay
50002732	1	ChEMBL_1774213 (CHEMBL4231205)	Inhibition of recombinant human ABL expressed in insect cells using Ulight-TK peptide as substrate after 60 mins by LANCE method
50002732	2	ChEMBL_1774223 (CHEMBL4231215)	Inhibition of recombinant human IGF1R using Ulight-TK peptide as substrate after 60 mins by LANCE method
50002732	3	ChEMBL_1774202 (CHEMBL4231194)	Inhibition of recombinant human VEGFR2 using peptide as substrate by fluorimetric analysis
50002732	4	ChEMBL_1774196 (CHEMBL4231188)	Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis
50002732	5	ChEMBL_1774218 (CHEMBL4231210)	Inhibition of recombinant human c-MET expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 60 mins by LANCE method
50002732	6	ChEMBL_1774204 (CHEMBL4231196)	Inhibition of recombinant human EGFR using peptide as substrate by fluorimetric analysis
50002732	7	ChEMBL_1774217 (CHEMBL4231209)	Inhibition of recombinant human c-KIT using Ulight-TK peptide as substrate after 30 mins by LANCE method
50002732	8	ChEMBL_1774224 (CHEMBL4231216)	Inhibition of recombinant human KDR expressed in Sf9 insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 60 mins by LANCE method
50002732	9	ChEMBL_1774200 (CHEMBL4231192)	Inhibition of recombinant human RET V804L mutant using peptide as substrate by fluorimetric analysis
50002732	10	ChEMBL_1774214 (CHEMBL4231206)	Inhibition of recombinant human AKT1 expressed in insect cells using CREBtide as substrate after 60 mins by LANCE method
50002732	11	ChEMBL_1774215 (CHEMBL4231207)	Inhibition of recombinant human Aurora-A expressed in Sf21 insect cells using Ulight-RRRSLLE as substrate after 15 mins by LANCE method
50002732	12	ChEMBL_1774216 (CHEMBL4231208)	Inhibition of recombinant human CDK1/Cyclin B expressed in insect cells using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate after 15 mins by LANCE method
50002732	13	ChEMBL_1774220 (CHEMBL4231212)	Inhibition of recombinant human Flt1 expressed in Sf9 insect cells using Ulight-TK peptide as substrate after 15 mins by LANCE method
50002732	14	ChEMBL_1774221 (CHEMBL4231213)	Inhibition of recombinant human Flt4 using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method
50002732	15	ChEMBL_1774222 (CHEMBL4231214)	Inhibition of recombinant human HER2 expressed in insect cells using biotinyl-betaAbetaAbetaAAEEEEYFELVAKKK as substrate after 30 mins by HTRF method
50002732	16	ChEMBL_1774225 (CHEMBL4231217)	Inhibition of recombinant human PDGFRbeta expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 30 mins by LANCE method
50002732	17	ChEMBL_1774227 (CHEMBL4231219)	Inhibition of recombinant human Src expressed in insect cells using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 10 mins by LANCE method
50002732	18	ChEMBL_1774219 (CHEMBL4231211)	Inhibition of recombinant human FAK expressed in Sf9 insect cells using Ulight-TK peptide as substrate after 60 mins by LANCE method
50002733	1	ChEMBL_1774290 (CHEMBL4231282)	Inhibition of His-6 tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in Baculovirus infected Sf9 cells by dissociation-enhanced lanthanide fluorescence immunoassay/time-resolved fluorometric analysis
50002733	2	ChEMBL_1774291 (CHEMBL4231283)	Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-terminal His-tagged human MEK1 as substrate by Nu-page gel-based phosphor screen analysis
50002734	1	ChEMBL_1774352 (CHEMBL4231344)	Mixed-type inhibition of Trypanosoma brucei trypanothione reductase assessed as enzyme-inhibitor-substrate complex using varying levels of TS2 as substrate in presence of NADPH by Lineweaver-Burk plot analysis
50002734	2	ChEMBL_1774350 (CHEMBL4231342)	Mixed-type inhibition of Trypanosoma brucei trypanothione reductase assessed as enzyme-inhibitor complex using varying levels of TS2 as substrate in presence of NADPH by Lineweaver-Burk plot analysis
50002734	3	ChEMBL_1774351 (CHEMBL4231343)	Inhibition of Trypanosoma brucei trypanothione reductase using TS2 as substrate in presence of NADPH by spectrophotometric method
50002735	1	ChEMBL_1774367 (CHEMBL4231359)	Inhibition of human HDAC1 using RHKK(Ac) as substrate
50002735	2	ChEMBL_1774368 (CHEMBL4231360)	Inhibition of human HDAC3 using RHKK(Ac) as substrate
50002735	3	ChEMBL_1774365 (CHEMBL4231357)	Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay
50002735	4	ChEMBL_1774366 (CHEMBL4231358)	Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis
50002735	5	ChEMBL_1774369 (CHEMBL4231361)	Inhibition of human HDAC6 using RHKK(Ac) as substrate
50002735	6	ChEMBL_1774370 (CHEMBL4231362)	Inhibition of human HDAC8 using RHKAcKAc as substrate
50002736	1	ChEMBL_1774396 (CHEMBL4231388)	Inhibition of transmembrane human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50002736	2	ChEMBL_1774393 (CHEMBL4231385)	Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50002736	3	ChEMBL_1774394 (CHEMBL4231386)	Inhibition of cytosolic human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50002736	4	ChEMBL_1774395 (CHEMBL4231387)	Inhibition of membrane bound human carbonic anhydrase 4 by stopped flow CO2 hydration assay
50002737	1	ChEMBL_1774484 (CHEMBL4231476)	Inhibition of CaV1.2 channel in rat tail artery myocytes assessed as reduction in Ba2+ current at -50 mV holding potential by whole-cell patch-clamp assay
50002737	2	ChEMBL_1774479 (CHEMBL4231471)	Inhibition of plasmodium falciparum phosphoethanolamine N-methyltransferase expressed in Escherichia coli using phosphoethanolamine as substrate and [methyl-14C] SAM by radiochemical assay
50002738	1	ChEMBL_1774527 (CHEMBL4231519)	Inhibition of recombinant N-terminal GST-tagged human PDE3A (484 to 1141 residues) expressed in Sf9 cells using cAMP as substrate after 60 mins by IMAP TR-FRET assay
50002738	2	ChEMBL_1774531 (CHEMBL4231523)	Inhibition of recombinant GST-tagged human PDE9A2 expressed in insect cells using cGMP as substrate after 1 hr by IMAP TR-FRET assay
50002738	3	ChEMBL_1774533 (CHEMBL4231525)	Inhibition of recombinant human PDE11A4 expressed in Sf9 insect cells using [3H]cGMP or [3H]cAMP as substrate after 10 mins by scintillation counting analysis
50002738	4	ChEMBL_1774532 (CHEMBL4231524)	Inhibition of recombinant rat PDE10A expressed in Sf9 insect cells using cGMP or cAMP as substrate by scintillation proximity assay
50002739	1	ChEMBL_1774534 (CHEMBL4231526)	Antagonist activity at human beta3 adrenergic receptor expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of isoproterenol-induced intercellular calcium mobilization pre-incubated for 10 mins before isoproterenol addition by Fluo-4AM dye-based fluorescence assay
50002739	2	ChEMBL_1774535 (CHEMBL4231527)	Antagonist activity at human beta2 adrenergic receptor expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of isoproterenol-induced intercellular calcium mobilization pre-incubated for 10 mins before isoproterenol addition by Fluo-4AM dye-based fluorescence assay
50002739	3	ChEMBL_1774536 (CHEMBL4231528)	Antagonist activity at human beta1 adrenergic receptor expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of isoproterenol-induced intercellular calcium mobilization pre-incubated for 10 mins before isoproterenol addition by Fluo-4AM dye-based fluorescence assay
50002740	1	ChEMBL_1774547 (CHEMBL4231539)	Displacement of Fluormone ES2 Green from full length human ER-alpha expressed in insect cells after 2 hrs by fluorescence polarization assay
50002740	2	ChEMBL_1774555 (CHEMBL4231547)	Inhibition of VEGFR2 (unknown origin) using TK substrate after 1 hr by HTRF assay
50002741	1	ChEMBL_1774623 (CHEMBL4231615)	Inhibition of FLAP in A23187-stimulated human monocytes assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187 and arachidonic acid addition and measured after 10 mins by UV based RP-HPLC analysis
50002741	2	ChEMBL_1774628 (CHEMBL4231620)	Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell microsomal fractions assessed as reduction in PGE2 production preincubated for 15 mins followed by PGH2 substrate addition and measured after 1 min by RP-HPLC analysis relative to control
50002741	3	ChEMBL_1774622 (CHEMBL4231614)	Inhibition of FLAP in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187 and arachidonic acid addition and measured after 10 mins by UV based RP-HPLC analysis
50002741	4	ChEMBL_1774631 (CHEMBL4231623)	Inhibition of human LTC4 synthase expressed in HEK293 cell microsomes preincubated for 10 mins followed by LTA4-methyl ester addition and measured after 10 mins by UPLC-MS/MS analysis
50002741	5	ChEMBL_1774624 (CHEMBL4231616)	Inhibition of 5-LO in A23187-stimulated human neutrophils assessed as reduction in 5-LO product formation preincubated for 15 mins followed by A23187 and 10 uM arachidonic acid addition and measured after 10 mins by UV based RP-HPLC analysis
50002741	6	ChEMBL_1774625 (CHEMBL4231617)	Inhibition of LTC4 synthase in LPS/fMLP-stimulated human monocytes assessed as decrease in cys-LT formation pre-incubated with LPS for 30 mins and later stimulated with fMLP for 10 mins by ELISA
50002741	7	ChEMBL_1774619 (CHEMBL4231611)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 incubated for 15 mins prior to prewarming for 30 secs followed by CaCl2+ and arachidonic acid addition and measured after 10 mins by RP-HPLC analysis
50002742	1	ChEMBL_1774684 (CHEMBL4231676)	Inhibition of PI3Kdelta (unknown origin) using Biotin-S11S12 as substrate after 120 mins in presence of ATP by ADPGlo luminescence assay
50002742	2	ChEMBL_1774686 (CHEMBL4231678)	Inhibition of PI3Kalpha (unknown origin) using Biotin-S11S12 as substrate after 60 mins in presence of ATP by Kinase Glo luminescence assay
50002742	3	ChEMBL_1774688 (CHEMBL4231680)	Inhibition of PI3Kgamma (unknown origin) using Biotin-S11S12 as substrate after 60 mins in presence of ATP by ADPGlo luminescence assay
50002742	4	ChEMBL_1774687 (CHEMBL4231679)	Inhibition of PI3Kbeta (unknown origin) using Biotin-S11S12 as substrate after 60 mins in presence of ATP by ADPGlo luminescence assay
50002743	1	ChEMBL_1774721 (CHEMBL4231713)	Inhibition of GST-tagged human c-MET preincubated for 20 mins followed by [33P]-ATP addition and measured after 2 hrs by Hot-Spot kinase assay
50002743	2	ChEMBL_1774742 (CHEMBL4231734)	Inhibition of GST-tagged human FLT3 preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by Hot-Spot kinase assay
50002744	1	ChEMBL_1774821 (CHEMBL4231813)	Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrate in presence of NADP+ by fluorimetric analysis
50002744	2	ChEMBL_1774822 (CHEMBL4231814)	Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrate in presence of NADP+ by fluorimetric analysis
50002744	3	ChEMBL_1774825 (CHEMBL4231817)	Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA
50002744	4	ChEMBL_1774824 (CHEMBL4231816)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA
50002745	1	ChEMBL_1775317 (CHEMBL4232309)	Inhibition of AChE (unknown origin)
50002745	2	ChEMBL_1775319 (CHEMBL4232311)	Inhibition of bovine erythrocyte AchE using acetylthiocholine iodide as substrate after 15 mins by spectrophotometric analysis
50002745	3	ChEMBL_1775322 (CHEMBL4232314)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 120 secs by spectrophotometric analysis
50002745	4	ChEMBL_1775325 (CHEMBL4232317)	Inhibition of estrogen receptor in human MCF-7 cells
50002745	5	ChEMBL_1775335 (CHEMBL4232327)	Inhibition of human estrogen receptor alpha expressed in HEK293 cells assessed as reduction in estrogen-induced transcriptional activation after 6 hrs by beta galactosidase reporter gene assay
50002745	6	ChEMBL_1775318 (CHEMBL4232310)	Inhibition of beta amyloid (unknown origin) deposition
50002745	7	ChEMBL_1775320 (CHEMBL4232312)	Inhibition of electric eel AChE
50002745	8	ChEMBL_1775324 (CHEMBL4232316)	Inhibition of HER2 in human MCF-7 cells
50002745	9	ChEMBL_1775326 (CHEMBL4232318)	Inhibition of HER2 in human MCF-7 cells after 24 hrs by immunoblotting analysis
50002745	10	ChEMBL_1775336 (CHEMBL4232328)	Inhibition of human estrogen receptor alpha expressed in human LNCAP cells assessed as reduction in estrogen-induced transcriptional activation after 6 hrs by beta galactosidase reporter gene assay
50002745	11	ChEMBL_1775338 (CHEMBL4232330)	Inhibition of human estrogen receptor alpha expressed in human MCF7 cells assessed as reduction in estrogen-induced transcriptional activation after 6 hrs by beta galactosidase reporter gene assay
50002745	12	ChEMBL_1775348 (CHEMBL4232340)	Inhibition of rat iNOS after 12 to 24 hrs in presence of [gamma32P]ATP by electrophoretic mobility shift assays
50002745	13	ChEMBL_1775337 (CHEMBL4232329)	Inhibition of human estrogen receptor alpha expressed in human MDA-MB-231 cells assessed as reduction in estrogen-induced transcriptional activation after 6 hrs by beta galactosidase reporter gene assay
50002746	1	ChEMBL_1775367 (CHEMBL4232359)	Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase expressed in Escherichia coli BL21 (DE3) using biotinylated oligo-dT12 primer as substrate after 60 mins
50002746	2	ChEMBL_1775370 (CHEMBL4232362)	Inhibition of endothelial lipase in mouse cells after 30 mins by fluorescence assay
50002746	3	ChEMBL_1775365 (CHEMBL4232357)	Inhibition of human recombinant MetAP2 expressed in Sf9 insect cells using MAS as substrate after 30 mins by fluorometeric analysis
50002746	4	ChEMBL_1775364 (CHEMBL4232356)	Inhibition of Nav1.7 in rat dorsal root ganglions at -60 mV holding potential by patch clamp assay
50002746	5	ChEMBL_1775371 (CHEMBL4232363)	Inhibition of HCV NS5B RNA dependent RNA polymerase
50002746	6	ChEMBL_1775357 (CHEMBL4232349)	Inhibition of bovine AChE using ACH iodide as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hrs by spectrophotometeric analysis
50002746	7	ChEMBL_1775362 (CHEMBL4232354)	Inhibition of 5-lipoxygenase in rat RBL-1 cells preincubated for 10 mins followed by [14C]arachidonic acid addition and measured after 5 mins by radioligand binding assay
50002746	8	ChEMBL_1775369 (CHEMBL4232361)	Inhibition of endothelial lipase in human cells after 30 mins by fluorescence assay
50002746	9	ChEMBL_1775363 (CHEMBL4232355)	Inhibition of cyclooxygenase-1 in rat RBL-1 cells preincubated for 10 mins followed by [14C]arachidonic acid addition and measured after 5 mins by radioligand binding assay
50002747	1	ChEMBL_1775381 (CHEMBL4232373)	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay
50002747	2	ChEMBL_1775378 (CHEMBL4232370)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate after 1 hr by fluorescence assay
50002747	3	ChEMBL_1775372 (CHEMBL4232364)	Inhibition of recombinant human DPP4 expressed in baculovirus expression system using Ala-Pro-AMC as substrate by fluorometric analysis
50002747	4	ChEMBL_1775384 (CHEMBL4232376)	Inhibition of DPP4 (unknown origin) using Gly-Pro-pNA as substrate after 60 mins
50002747	5	ChEMBL_1775382 (CHEMBL4232374)	Inhibition of porcine DPP4 after 30 mins by luminescence assay
50002747	6	ChEMBL_1775379 (CHEMBL4232371)	Inhibition of DPP4 (unknown origin) using H-Gly-Pro-AMC as substrate
50002747	7	ChEMBL_1775377 (CHEMBL4232369)	Inhibition of recombinant human DPP4 pre-incubated for 30 mins before Gly-Pro-Aminomethylcoumarin substrate addition
50002747	8	ChEMBL_1775376 (CHEMBL4232368)	Inhibition of DPP4 (unknown origin)
50002747	9	ChEMBL_1775383 (CHEMBL4232375)	Inhibition of porcine kidney DPP4
50002747	10	ChEMBL_1775380 (CHEMBL4232372)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate after 30 mins by fluorescence assay
50002747	11	ChEMBL_1775374 (CHEMBL4232366)	Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis
50002747	12	ChEMBL_1775375 (CHEMBL4232367)	Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins with 1 min interval
50002747	13	ChEMBL_1775373 (CHEMBL4232365)	Inhibition of recombinant human DPP4 assessed as hydrolyzing H-Gly-Pro-pNA hydrolysis by measuring p-nitroaniline release after 10 mins by double beam spectrophotometric analysis
50002748	1	ChEMBL_1775409 (CHEMBL4232401)	Inhibition of LPS-induced iNOS in human BV2 cells after 4 hrs by DAF-FMDA dye-based fluorescence assay
50002749	1	ChEMBL_1775426 (CHEMBL4232418)	Agonist activity at human PPARgamma after 22 to 24 hrs by luciferase reporter gene assay
50002749	2	ChEMBL_1775423 (CHEMBL4232415)	Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter gene assay
50002749	3	ChEMBL_1775435 (CHEMBL4232427)	Agonist activity at GAL4-fused human PPARalpha LBD
50002749	4	ChEMBL_1775425 (CHEMBL4232417)	Agonist activity at human PPARdelta after 22 to 24 hrs by luciferase reporter gene assay
50002749	5	ChEMBL_1775436 (CHEMBL4232428)	Agonist activity at GAL4-fused human PPARgamma LBD
50002749	6	ChEMBL_1775438 (CHEMBL4232430)	Agonist activity at PPARalpha (unknown origin) expressed in reporter combo cells after 36 hrs by dual luciferase reporter gene assay
50002750	1	ChEMBL_1775527 (CHEMBL4232519)	Agonist activity at human GABA-B1/B2 receptor expressed in HEK293/Cre-luc cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hrs by luciferase reporter gene assay
50002750	2	ChEMBL_1775526 (CHEMBL4232518)	Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell voltage clamp method
50002751	1	ChEMBL_1775583 (CHEMBL4232575)	Inhibition of recombinant human CA9 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assay
50002751	2	ChEMBL_1775580 (CHEMBL4232572)	Inhibition of recombinant human CA1 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assay
50002751	3	ChEMBL_1775582 (CHEMBL4232574)	Inhibition of recombinant human CA4 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assay
50002751	4	ChEMBL_1775581 (CHEMBL4232573)	Inhibition of recombinant human CA2 expressed in Escherichia coli assessed as reduction in CO2 hydration by stopped flow assay
50002752	1	ChEMBL_1775598 (CHEMBL4232590)	Inhibition of N-terminal 6x-His-tagged BRAF V600E mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50cdc37 using C-terminal His-tagged/N-terminal GST-tagged full length human MEK1 as substrate after 1 hr by ELISA
50002752	2	ChEMBL_1775599 (CHEMBL4232591)	Inhibition of N-terminal 6x-His-tagged BRAF kinase domain (unknown origin) expressed in baculovirus infected Sf9 insect cells co-expressing mouse p50cdc37 using C-terminal His-tagged/N-terminal GST-tagged full length human MEK1 as substrate after 1 hr by ELISA
50002754	1	ChEMBL_1775622 (CHEMBL4232614)	Inhibition of GOT1 (unknown origin) using aspartate and alpha-ketoglutarate as substrate after 20 mins by MDH1 enzyme-coupled fluorescence assay
50002755	1	ChEMBL_1775637 (CHEMBL4232629)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate pretreated for 1 hr at 3 mins post 80 uM SAM addition followed by substrate addition measured after 15 to 30 mins by LC-MS analysis
50002755	2	ChEMBL_1775632 (CHEMBL4232624)	Inhibition of SAH-rhodamine binding to NNMT in human 786-O cell soluble proteomic lysate preincubated for 1 hr followed by SAH-rhodamine addition measured after 5 mins by Gel-based ABPP analysis
50002755	3	ChEMBL_1775633 (CHEMBL4232625)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate preincubated for 1 hr followed by substrate and SAM addition measured after 15 to 30 mins by LC-MS analysis
50002755	4	ChEMBL_1775640 (CHEMBL4232632)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate pretreated for 1 hr at 3 mins post 10 uM SAM addition followed by substrate addition measured after 15 to 30 mins by LC-MS analysis
50002755	5	ChEMBL_1775639 (CHEMBL4232631)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate pretreated for 1 hr at 3 mins post 20 uM SAM addition followed by substrate addition measured after 15 to 30 mins by LC-MS analysis
50002755	6	ChEMBL_1775636 (CHEMBL4232628)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate pretreated for 1 hr at 3 mins post 160 uM SAM addition followed by substrate addition measured after 15 to 30 mins by LC-MS analysis
50002755	7	ChEMBL_1775628 (CHEMBL4232620)	Inhibition of SAH probe binding to NNMT (unknown origin)
50002755	8	ChEMBL_1775638 (CHEMBL4232630)	Inhibition of NNMT in human 786-O cell lysate using d4-nicotinamide as substrate pretreated for 1 hr at 3 mins post 40 uM SAM addition followed by substrate addition measured after 15 to 30 mins by LC-MS analysis
50002756	1	ChEMBL_1775674 (CHEMBL4232666)	Inhibition of human N-terminal FLAG-tagged PRMT5 (2 to end)/human N-terminal His-tagged MEP50 (2 to end) expressed in HEK293 cells using biotinylated H4 derived peptide as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of [3H]SAM by liquid scintillation counting
50002756	2	ChEMBL_1775672 (CHEMBL4232664)	Inhibition of human PRMT5 expressed in insect cells co-expressing His-tagged MEP50 using Ser-Gly-Arg-Gly- Lys-Gly-Gly-Lys-Gly-Leu-Gly-Lys-Gly-Gly-Ala-Lys-Arg-His-Arg-Lys-Val-NH2 peptide as substrate after 4 hrs in presence of SAM by Transcreene EPIGEN methyltransferase assays
50002756	3	ChEMBL_1775669 (CHEMBL4232661)	Inhibition of PRMT5 (unknown origin) using H4R3 as substrate by HTRF assay
50002756	4	ChEMBL_1775678 (CHEMBL4232670)	Inhibition of human N-terminal FLAG-tagged PRMT5 (2 to end) expressed in HEK293 cells using biotinylated H2A as substrate measured after 60 mins in presence of SAM by high throughput mass spectrometer assay
50002756	5	ChEMBL_1775682 (CHEMBL4232674)	Inhibition of human 6xHis-tagged PRMT5 expressed in bacterial expression system using histone H2A as substrate after 2 hrs in presence of by S-[methyl-3H]adenosylmethionine by liquid scintillation counting
50002756	6	ChEMBL_1775685 (CHEMBL4232677)	Inhibition of N-terminal FLAG-tagged human PRMT5 using histone H4 substrate incubated fro 60 mins
50002758	1	ChEMBL_1775686 (CHEMBL4232678)	Binding affinity to electric eel AChE after 24 hrs by LC/MS-SIM analysis
50002758	2	ChEMBL_1775688 (CHEMBL4232680)	Inhibition of human IDE using insulin as substrate preincubated for 10 mis followed by substrate addition and measured after 30 mins
50002758	3	ChEMBL_1775689 (CHEMBL4232681)	Inhibition of mouse AChE active site after 12 hrs by LC/MS-SIM analysis
50002758	4	ChEMBL_1775695 (CHEMBL4232687)	Inhibition of factor 10a (unknown origin) pre-incubated for 2 hrs before fluorescence substrate addition and measured after 5 mins by fluorescence assay
50002758	5	ChEMBL_1775692 (CHEMBL4232684)	Inhibition of CA2 (unknown origin)
50002758	6	ChEMBL_1775687 (CHEMBL4232679)	Inhibition of HIV1 protease after 24 hrs by LC/MS-SIM analysis
50002758	7	ChEMBL_1775693 (CHEMBL4232685)	Inhibition of Mycobacterium tuberculosis EthR
50002758	8	ChEMBL_1775690 (CHEMBL4232682)	Inhibition of Serratia marcescens 6x-His-tagged ChiB after 20 hrs by LCMS-SIR analysis
50002758	9	ChEMBL_1775691 (CHEMBL4232683)	Inhibition of Staphylococcus aureus biotin protein ligase by LC/MS-SIM analysis
50002759	1	ChEMBL_1775707 (CHEMBL4232699)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 30 mins
50002760	1	ChEMBL_1775718 (CHEMBL4232710)	Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after 2 days alamar blue assay
50002760	2	ChEMBL_1775719 (CHEMBL4232711)	Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as substrate after 35 to 40 mins by HTRF assay
50002761	1	ChEMBL_1775774 (CHEMBL4232766)	Irreversible inhibition of human arginase 1 using thioarginine as substrate measured up to 360 mins by UV micro plate method
50002761	2	ChEMBL_1775776 (CHEMBL4232768)	Irreversible inhibition of human arginase 2 using thioarginine as substrate measured up to 360 mins by UV micro plate method
50002762	1	ChEMBL_1776079 (CHEMBL4233071)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 10 mins followed by substrate addition measured after 1 hr by spectrofluorimetric method
50002762	2	ChEMBL_1776080 (CHEMBL4233072)	Inhibition of caspase-like activity of human 20S proteasome
50002762	3	ChEMBL_1776081 (CHEMBL4233073)	Inhibition of trypsin-like activity of human 20S proteasome
50002763	1	ChEMBL_1776111 (CHEMBL4233103)	Binding affinity to recombinant human N-terminal GSt-tagged TNKS1 (1000 to 1328 residues) expressed in baculovirus infected Sf9 cells by surface plasmon resonance analysis
50002763	2	ChEMBL_1776109 (CHEMBL4233101)	Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly1166 residues) expressed in Escherichia coli by surface plasmon resonance analysis
50002763	3	ChEMBL_1776110 (CHEMBL4233102)	Binding affinity to recombinant human CK2alpha/beta expressed in Escherichia coli by surface plasmon resonance analysis
50002763	4	ChEMBL_1776112 (CHEMBL4233104)	Binding affinity to recombinant human PARP1 expressed in baculovirus infected Sf9 cells by surface plasmon resonance analysis
50002764	1	ChEMBL_1776131 (CHEMBL4233123)	Inhibition of recombinant human PI3K-alpha using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Glo assay
50002764	2	ChEMBL_1776132 (CHEMBL4233124)	Inhibition of recombinant human PI3K-beta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Glo assay
50002764	3	ChEMBL_1776133 (CHEMBL4233125)	Inhibition of recombinant human PI3K-gamma using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Glo assay
50002764	4	ChEMBL_1776141 (CHEMBL4233133)	Inhibition of recombinant human PI3K-delta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Glo assay
50002765	1	ChEMBL_1776145 (CHEMBL4233137)	Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl})-amino-2-methyl-pyrimid-6-yl)piperazinyl]-ethyl]thiourea binding to human PKMYT1 kinase doamin expressed in Escherichia coli BL21 after 120 mins by fluorescence polarization asay
50002765	2	ChEMBL_1776144 (CHEMBL4233136)	Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization immunoasay
50002765	3	ChEMBL_1776148 (CHEMBL4233140)	Inhibition of recombinant human Wee1 using poly(Lys,Tyr) as substrate after 30 mins in presence of [gamma-33P]-ATP by liquid scintillation counting method
50002766	1	ChEMBL_1776150 (CHEMBL4233142)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide substrate measured after 1 hr by Lance Ultra assay
50002766	2	ChEMBL_1776151 (CHEMBL4233143)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr by Kinase-Glo luminescent assay
50002767	1	ChEMBL_1776184 (CHEMBL4233176)	Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholesterol
50002767	2	ChEMBL_1776190 (CHEMBL4233182)	Inhibition of ACAT1 in mouse IC21 cells in absence of BSA
50002767	3	ChEMBL_1776175 (CHEMBL4233167)	Inhibition of ACAT1 in human monocytes-derived macrophages reduction in cholesteryl oleate formation preincubated for 2 hrs followed by [14C]-oleic acid/BSA/sodium oleate addition measured after 2 hrs by TLC assay
50002767	4	ChEMBL_1776188 (CHEMBL4233180)	Inhibition of ACAT1 in 0.2 mg/ml rat liver microsomes
50002767	5	ChEMBL_1776208 (CHEMBL4233200)	Inhibition of ACAT1 in human monocytes-derived macrophages reduction in cholesteryl oleate formation preincubated for 2 hrs followed by [14C]-oleic acid/sodium oleate addition measured after 2 hrs in absence of albumin by TLC assay
50002767	6	ChEMBL_1776187 (CHEMBL4233179)	Inhibition of ACAT1 in 1 mg/ml rat liver microsomes
50002767	7	ChEMBL_1776179 (CHEMBL4233171)	Inhibition of ACAT2 in rat hepatic microsomes
50002767	8	ChEMBL_1776178 (CHEMBL4233170)	Inhibition of ACAT1 in mouse J774 cells
50002767	9	ChEMBL_1776189 (CHEMBL4233181)	Inhibition of ACAT1 in mouse IC21 cells in presence of BSA
50002768	1	ChEMBL_1776354 (CHEMBL4233346)	Inhibition of KIT (unknown origin)
50002768	2	ChEMBL_1776364 (CHEMBL4233356)	Inhibition of MKK4 (unknown origin)
50002768	3	ChEMBL_1776346 (CHEMBL4233338)	Inhibition of INSR (unknown origin)
50002768	4	ChEMBL_1776407 (CHEMBL4233399)	Inhibition of ROCK1 (unknown origin)
50002768	5	ChEMBL_1776415 (CHEMBL4233407)	Inhibition of SGK (unknown origin)
50002768	6	ChEMBL_1776388 (CHEMBL4233380)	Inhibition of PIM1 (unknown origin)
50002768	7	ChEMBL_1776312 (CHEMBL4233304)	Inhibition of CIT (unknown origin)
50002768	8	ChEMBL_1776426 (CHEMBL4233418)	Inhibition of TYRO3 (unknown origin)
50002768	9	ChEMBL_1776398 (CHEMBL4233390)	Inhibition of PLK1 (unknown origin)
50002768	10	ChEMBL_1776311 (CHEMBL4233303)	Inhibition of ChoK (unknown origin)
50002768	11	ChEMBL_1776302 (CHEMBL4233294)	Inhibition of BTK (unknown origin)
50002768	12	ChEMBL_1776292 (CHEMBL4233284)	Inhibition of AKT1 (unknown origin)
50002768	13	ChEMBL_1776336 (CHEMBL4233328)	Inhibition of FMS (unknown origin)
50002768	14	ChEMBL_1776377 (CHEMBL4233369)	Inhibition of P38delta (unknown origin)
50002768	15	ChEMBL_1776368 (CHEMBL4233360)	Inhibition of MSK1 (unknown origin)
50002768	16	ChEMBL_1776397 (CHEMBL4233389)	Inhibition of PKCtheta (unknown origin)
50002768	17	ChEMBL_1776350 (CHEMBL4233342)	Inhibition of JAK3 (unknown origin)
50002768	18	ChEMBL_1776358 (CHEMBL4233350)	Inhibition of MAPKAPK2 (unknown origin)
50002768	19	ChEMBL_1776348 (CHEMBL4233340)	Inhibition of IRAK4 (unknown origin)
50002768	20	ChEMBL_1776382 (CHEMBL4233374)	Inhibition of PAK3 (unknown origin)
50002768	21	ChEMBL_1776369 (CHEMBL4233361)	Inhibition of MSK2 (unknown origin)
50002768	22	ChEMBL_1776429 (CHEMBL4233421)	Inhibition of FLT-3 (unknown origin)
50002768	23	ChEMBL_1776316 (CHEMBL4233308)	Inhibition of COT (unknown origin)
50002768	24	ChEMBL_1776286 (CHEMBL4233278)	Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogenase coupled assay
50002768	25	ChEMBL_1776410 (CHEMBL4233402)	Inhibition of ROS (unknown origin)
50002768	26	ChEMBL_1776323 (CHEMBL4233315)	Inhibition of EPH-B2 (unknown origin)
50002768	27	ChEMBL_1776310 (CHEMBL4233302)	Inhibition of CHK2 (unknown origin)
50002768	28	ChEMBL_1776297 (CHEMBL4233289)	Inhibition of AURA (unknown origin)
50002768	29	ChEMBL_1776287 (CHEMBL4233279)	Inhibition of PKAalpha (1 to 351 residues) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase-lactate dehydrogenase coupled assay
50002768	30	ChEMBL_1776427 (CHEMBL4233419)	Inhibition of YES (unknown origin)
50002768	31	ChEMBL_1776393 (CHEMBL4233385)	Inhibition of PKCalpha (unknown origin)
50002768	32	ChEMBL_1776399 (CHEMBL4233391)	Inhibition of PRK2 (unknown origin)
50002768	33	ChEMBL_1776402 (CHEMBL4233394)	Inhibition of PRKD3 (unknown origin)
50002768	34	ChEMBL_1776406 (CHEMBL4233398)	Inhibition of RET (unknown origin)
50002768	35	ChEMBL_1776411 (CHEMBL4233403)	Inhibition of RSK1 (unknown origin)
50002768	36	ChEMBL_1776328 (CHEMBL4233320)	Inhibition of FAK (unknown origin)
50002768	37	ChEMBL_1776325 (CHEMBL4233317)	Inhibition of EphA4 (unknown origin)
50002768	38	ChEMBL_1776319 (CHEMBL4233311)	Inhibition of DCAMKL2 (unknown origin)
50002768	39	ChEMBL_1776315 (CHEMBL4233307)	Inhibition of CLK3 (unknown origin)
50002768	40	ChEMBL_1776305 (CHEMBL4233297)	Inhibition of CDK2 (unknown origin)
50002768	41	ChEMBL_1776289 (CHEMBL4233281)	Inhibition of EGFR isolated from human A431 cells
50002768	42	ChEMBL_1776380 (CHEMBL4233372)	Inhibition of PAK1 (unknown origin)
50002768	43	ChEMBL_1776428 (CHEMBL4233420)	Inhibition of ZAP70 (unknown origin)
50002768	44	ChEMBL_1776425 (CHEMBL4233417)	Inhibition of TSSK2 (unknown origin)
50002768	45	ChEMBL_1776391 (CHEMBL4233383)	Inhibition of PKC-beta1 (unknown origin)
50002768	46	ChEMBL_1776392 (CHEMBL4233384)	Inhibition of PKC-epsilon (unknown origin)
50002768	47	ChEMBL_1776394 (CHEMBL4233386)	Inhibition of PKCbeta2 (unknown origin)
50002768	48	ChEMBL_1776395 (CHEMBL4233387)	Inhibition of PKCepsilon (unknown origin)
50002768	49	ChEMBL_1776396 (CHEMBL4233388)	Inhibition of PKCgamma (unknown origin)
50002768	50	ChEMBL_1776400 (CHEMBL4233392)	Inhibition of PRKD1 (unknown origin)
50002768	51	ChEMBL_1776401 (CHEMBL4233393)	Inhibition of PRKD2 (unknown origin)
50002768	52	ChEMBL_1776403 (CHEMBL4233395)	Inhibition of PRKX (unknown origin)
50002768	53	ChEMBL_1776404 (CHEMBL4233396)	Inhibition of PYK2 (unknown origin)
50002768	54	ChEMBL_1776405 (CHEMBL4233397)	Inhibition of RAFc (unknown origin)
50002768	55	ChEMBL_1776408 (CHEMBL4233400)	Inhibition of ROCK2 (unknown origin)
50002768	56	ChEMBL_1776409 (CHEMBL4233401)	Inhibition of RON (unknown origin)
50002768	57	ChEMBL_1776412 (CHEMBL4233404)	Inhibition of RSK2 (unknown origin)
50002768	58	ChEMBL_1776413 (CHEMBL4233405)	Inhibition of RSK3 (unknown origin)
50002768	59	ChEMBL_1776414 (CHEMBL4233406)	Inhibition of RSK4 (unknown origin)
50002768	60	ChEMBL_1776327 (CHEMBL4233319)	Inhibition of ERK2 (unknown origin)
50002768	61	ChEMBL_1776326 (CHEMBL4233318)	Inhibition of ERK1 (unknown origin)
50002768	62	ChEMBL_1776324 (CHEMBL4233316)	Inhibition of EPH-B4 (unknown origin)
50002768	63	ChEMBL_1776322 (CHEMBL4233314)	Inhibition of EGFR (unknown origin)
50002768	64	ChEMBL_1776321 (CHEMBL4233313)	Inhibition of DYRK1A (unknown origin)
50002768	65	ChEMBL_1776318 (CHEMBL4233310)	Inhibition of DAPK1 (unknown origin)
50002768	66	ChEMBL_1776317 (CHEMBL4233309)	Inhibition of CSK (unknown origin)
50002768	67	ChEMBL_1776314 (CHEMBL4233306)	Inhibition of CK2 (unknown origin)
50002768	68	ChEMBL_1776313 (CHEMBL4233305)	Inhibition of CK1 (unknown origin)
50002768	69	ChEMBL_1776309 (CHEMBL4233301)	Inhibition of CHK1 (unknown origin)
50002768	70	ChEMBL_1776306 (CHEMBL4233298)	Inhibition of CDK5 (unknown origin)
50002768	71	ChEMBL_1776304 (CHEMBL4233296)	Inhibition of CDK1 (unknown origin)
50002768	72	ChEMBL_1776300 (CHEMBL4233292)	Inhibition of BLK (unknown origin)
50002768	73	ChEMBL_1776298 (CHEMBL4233290)	Inhibition of AURB (unknown origin)
50002768	74	ChEMBL_1776296 (CHEMBL4233288)	Inhibition of ATR (unknown origin)
50002768	75	ChEMBL_1776294 (CHEMBL4233286)	Inhibition of AKT3 (unknown origin)
50002768	76	ChEMBL_1776293 (CHEMBL4233285)	Inhibition of AKT2 (unknown origin)
50002768	77	ChEMBL_1776290 (CHEMBL4233282)	Inhibition of Bcr-Abl (unknown origin)
50002768	78	ChEMBL_1776353 (CHEMBL4233345)	Inhibition of KDR (unknown origin)
50002768	79	ChEMBL_1776357 (CHEMBL4233349)	Inhibition of MAP4K4 (unknown origin)
50002768	80	ChEMBL_1776359 (CHEMBL4233351)	Inhibition of MAPKAPK3 (unknown origin)
50002768	81	ChEMBL_1776360 (CHEMBL4233352)	Inhibition of MARK1 (unknown origin)
50002768	82	ChEMBL_1776362 (CHEMBL4233354)	Inhibition of MER (unknown origin)
50002768	83	ChEMBL_1776365 (CHEMBL4233357)	Inhibition of MKK6 (unknown origin)
50002768	84	ChEMBL_1776367 (CHEMBL4233359)	Inhibition of MLK2 (unknown origin)
50002768	85	ChEMBL_1776352 (CHEMBL4233344)	Inhibition of JNK2 (unknown origin)
50002768	86	ChEMBL_1776351 (CHEMBL4233343)	Inhibition of JNK1 (unknown origin)
50002768	87	ChEMBL_1776347 (CHEMBL4233339)	Inhibition of IRAK1 (unknown origin)
50002768	88	ChEMBL_1776345 (CHEMBL4233337)	Inhibition of IKKi (unknown origin)
50002768	89	ChEMBL_1776343 (CHEMBL4233335)	Inhibition of IKKalpha (unknown origin)
50002768	90	ChEMBL_1776342 (CHEMBL4233334)	Inhibition of IGF1R (unknown origin)
50002768	91	ChEMBL_1776340 (CHEMBL4233332)	Inhibition of GSK3beta (unknown origin)
50002768	92	ChEMBL_1776338 (CHEMBL4233330)	Inhibition of GCK (unknown origin)
50002768	93	ChEMBL_1776337 (CHEMBL4233329)	Inhibition of FYN (unknown origin)
50002768	94	ChEMBL_1776333 (CHEMBL4233325)	Inhibition of FGFR3 (unknown origin)
50002768	95	ChEMBL_1776331 (CHEMBL4233323)	Inhibition of FGFR2 (unknown origin)
50002768	96	ChEMBL_1776330 (CHEMBL4233322)	Inhibition of FGFR1 (unknown origin)
50002768	97	ChEMBL_1776389 (CHEMBL4233381)	Inhibition of PIM2 (unknown origin)
50002768	98	ChEMBL_1776386 (CHEMBL4233378)	Inhibition of PDK1 (unknown origin)
50002768	99	ChEMBL_1776385 (CHEMBL4233377)	Inhibition of PDGFRa (unknown origin)
50002768	100	ChEMBL_1776383 (CHEMBL4233375)	Inhibition of PAR-1B (unknown origin)
50002768	101	ChEMBL_1776381 (CHEMBL4233373)	Inhibition of PAK2 (unknown origin)
50002768	102	ChEMBL_1776378 (CHEMBL4233370)	Inhibition of P38gamma (unknown origin)
50002768	103	ChEMBL_1776376 (CHEMBL4233368)	Inhibition of P38beta (unknown origin)
50002768	104	ChEMBL_1776375 (CHEMBL4233367)	Inhibition of P38alpha (unknown origin)
50002768	105	ChEMBL_1776373 (CHEMBL4233365)	Inhibition of NEK2 (unknown origin)
50002768	106	ChEMBL_1776371 (CHEMBL4233363)	Inhibition of NAK (unknown origin)
50002768	107	ChEMBL_1776416 (CHEMBL4233408)	Inhibition of SGK1 (unknown origin)
50002768	108	ChEMBL_1776417 (CHEMBL4233409)	Inhibition of SGK2 (unknown origin)
50002768	109	ChEMBL_1776418 (CHEMBL4233410)	Inhibition of SGK3 (unknown origin)
50002768	110	ChEMBL_1776421 (CHEMBL4233413)	Inhibition of SYK (unknown origin)
50002768	111	ChEMBL_1776422 (CHEMBL4233414)	Inhibition of TAK1 (unknown origin)
50002768	112	ChEMBL_1776423 (CHEMBL4233415)	Inhibition of TBK1 (unknown origin)
50002768	113	ChEMBL_1776430 (CHEMBL4233422)	Inhibition of JNK3 (unknown origin)
50002768	114	ChEMBL_1776420 (CHEMBL4233412)	Inhibition of SRC (unknown origin)
50002768	115	ChEMBL_1776355 (CHEMBL4233347)	Inhibition of LCK (unknown origin)
50002768	116	ChEMBL_1776339 (CHEMBL4233331)	Inhibition of GCN2 (unknown origin)
50002768	117	ChEMBL_1776299 (CHEMBL4233291)	Inhibition of AURC (unknown origin)
50002768	118	ChEMBL_1776356 (CHEMBL4233348)	Inhibition of LYN (unknown origin)
50002768	119	ChEMBL_1776363 (CHEMBL4233355)	Inhibition of MINK (unknown origin)
50002768	120	ChEMBL_1776349 (CHEMBL4233341)	Inhibition of IRR (unknown origin)
50002768	121	ChEMBL_1776334 (CHEMBL4233326)	Inhibition of FLT-1 (unknown origin)
50002768	122	ChEMBL_1776387 (CHEMBL4233379)	Inhibition of PHK-gamma2 (unknown origin)
50002768	123	ChEMBL_1776379 (CHEMBL4233371)	Inhibition of P70S6K1 (unknown origin)
50002768	124	ChEMBL_1776419 (CHEMBL4233411)	Inhibition of SphK (unknown origin)
50002768	125	ChEMBL_1776307 (CHEMBL4233299)	Inhibition of CerK (unknown origin)
50002768	126	ChEMBL_1776291 (CHEMBL4233283)	Inhibition of ABL1 (unknown origin)
50002768	127	ChEMBL_1776361 (CHEMBL4233353)	Inhibition of MEK1 (unknown origin)
50002768	128	ChEMBL_1776366 (CHEMBL4233358)	Inhibition of MKK7 (unknown origin)
50002768	129	ChEMBL_1776344 (CHEMBL4233336)	Inhibition of IKKbeta (unknown origin)
50002768	130	ChEMBL_1776332 (CHEMBL4233324)	Inhibition of FGFR4 (unknown origin)
50002768	131	ChEMBL_1776329 (CHEMBL4233321)	Inhibition of FER (unknown origin)
50002768	132	ChEMBL_1776384 (CHEMBL4233376)	Inhibition of PASK (unknown origin)
50002768	133	ChEMBL_1776374 (CHEMBL4233366)	Inhibition of NIK (unknown origin)
50002768	134	ChEMBL_1776370 (CHEMBL4233362)	Inhibition of MST1 (unknown origin)
50002768	135	ChEMBL_1776424 (CHEMBL4233416)	Inhibition of TIE2 (unknown origin)
50002768	136	ChEMBL_1776335 (CHEMBL4233327)	Inhibition of FLT-4 (unknown origin)
50002768	137	ChEMBL_1776341 (CHEMBL4233333)	Inhibition of HCK (unknown origin)
50002768	138	ChEMBL_1776372 (CHEMBL4233364)	Inhibition of NEK1 (unknown origin)
50002769	1	ChEMBL_1776434 (CHEMBL4233426)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP
50002769	2	ChEMBL_1776433 (CHEMBL4233425)	Inhibition of human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate
50002769	3	ChEMBL_1776431 (CHEMBL4233423)	Inhibition of human HDAC1 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate
50002770	1	ChEMBL_1776448 (CHEMBL4233440)	Inhibition of human SGLT2 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition and measured after 2 hrs by liquid scintillation counting method
50002770	2	ChEMBL_1776449 (CHEMBL4233441)	Inhibition of human SGLT1 expressed in HEK293 cells assessed as decrease in [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition and measured after 2 hrs by liquid scintillation counting method
50002770	3	ChEMBL_1776447 (CHEMBL4233439)	Inhibition of SGLT2 (unknown origin)
50002771	1	ChEMBL_1776463 (CHEMBL4233455)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate pretreated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002771	2	ChEMBL_1776464 (CHEMBL4233456)	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate pretreated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002772	1	ChEMBL_1776478 (CHEMBL4233470)	Positive allosteric modulation of human mGluR4 expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium flux preincubated for 2.5 mins followed by glutamate addition by Fluo-4-AM dye based fluorescence assay
50002772	2	ChEMBL_1776483 (CHEMBL4233475)	Inhibition of CYP1A2 in human liver microsomes
50002773	1	ChEMBL_1776530 (CHEMBL4233522)	Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes
50002773	2	ChEMBL_1776532 (CHEMBL4233524)	Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cell membranes
50002773	3	ChEMBL_1776533 (CHEMBL4233525)	Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293T cell membranes after 60 mins by liquid scintillation counting method
50002773	4	ChEMBL_1776531 (CHEMBL4233523)	Displacement of [3H](R)-alpha-methylhistamine from histamine H3 receptor in rat brain membranes
50002774	1	ChEMBL_1776534 (CHEMBL4233526)	Inhibition of recombinant BACE1 (unknown origin) using fluorogenic substrate
50002775	1	ChEMBL_1776554 (CHEMBL4233546)	Binding affinity to human GST-tagged 14-3-3zeta expressed in Escherichia coli assessed as Kd for 14-3-3zeta binding to H+-ATPase peptide motif by isothermal titration calorimetric method
50002776	1	ChEMBL_1776561 (CHEMBL4233553)	Agonist activity at human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based assay
50002776	2	ChEMBL_1776559 (CHEMBL4233551)	Agonist activity at human GPR120 expressed in CHO cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based assay
50002776	3	ChEMBL_1776556 (CHEMBL4233548)	Agonist activity at human GPR120 expressed in baculovirus infected sf9 cells assessed as increase in calcium flux measured every 1 sec for 60 secs by Calcium plus dye based FLIPR assay
50002776	4	ChEMBL_1776558 (CHEMBL4233550)	Agonist activity at human GPR120
50002776	5	ChEMBL_1776557 (CHEMBL4233549)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase in calcium flux measured every 2 secs for 90 secs by Calcium-3 dye based FLIPR assay
50002777	1	ChEMBL_1776567 (CHEMBL4233559)	Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay
50002777	2	ChEMBL_1776566 (CHEMBL4233558)	Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immunoassay
50002778	1	ChEMBL_1776582 (CHEMBL4233574)	Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production using urea as substrate preincubated for 1.5 hrs by indophenol method
50002778	2	ChEMBL_1776581 (CHEMBL4233573)	Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production using urea as substrate preincubated for 1.5 hrs under cell free condition by indophenol method
50002778	3	ChEMBL_1776580 (CHEMBL4233572)	Mixed-type inhibition of Helicobacter pylori ATCC 43504 urease assessed as enzyme-substrate-inhibitor complex using urea as substrate preincubated for 1.5 hrs
50002778	4	ChEMBL_1776586 (CHEMBL4233578)	Mixed-type inhibition of Helicobacter pylori ATCC 43504 urease assessed as enzyme-inhibitor complex using urea as substrate preincubated for 1.5 hrs
50002779	1	ChEMBL_1776595 (CHEMBL4233587)	Agonist activity at PPARgamma in human HepG2 cells assessed as activation of PPRE incubated for 24 hrs by dual luciferase reporter gene assay
50002780	1	ChEMBL_1776694 (CHEMBL4233686)	Agonist activity at endothelial M3 receptor in Wistar-Kyoto rat thoracic aortic rings assessed as inhibition of phenylephrine-induced contraction
50002781	1	ChEMBL_1776708 (CHEMBL4233700)	Inhibition of full length recombinant human N-terminal His-tagged BTK expressed in baculovirus infected Sf9 cells using poly (4:1 Glu, Tyr) peptide as substrate after 60 mins by ADP-Glo assay
50002781	2	ChEMBL_1776707 (CHEMBL4233699)	Inhibition of recombinant human N-terminal GST-tagged JAK3 (781-end residues) expressed in baculovirus infected Sf9 cells using poly (4:1 Glu, Tyr) peptide as substrate after 60 mins by ADP-Glo assay
50002781	3	ChEMBL_1776709 (CHEMBL4233701)	Inhibition of recombinant human N-terminal GST-tagged EGFR T790M mutant (695-end residues) expressed in baculovirus infected Sf9 cells using poly (4:1 Glu, Tyr) peptide as substrate after 60 mins by ADP-Glo assay
50002782	1	ChEMBL_1776804 (CHEMBL4233796)	Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]5-HT uptake by micro beta scintillation counting analysis
50002782	2	ChEMBL_1776805 (CHEMBL4233797)	Inhibition of human NET expressed in HEK293 cells assessed as reduction in [3H]-NE uptake by micro beta scintillation counting analysis
50002782	3	ChEMBL_1776806 (CHEMBL4233798)	Inhibition of human DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake by micro beta scintillation counting analysis
50002783	1	ChEMBL_1776807 (CHEMBL4233799)	Inhibition of rat liver microsomes 5alpha-reductase1 using [1,2,6,7-3H]T as substrate measured after 60 mins by chromatographic method
50002784	1	ChEMBL_1776820 (CHEMBL4233812)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using benzylamine as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by resazurin dye-based fluorescence assay
50002784	2	ChEMBL_1776819 (CHEMBL4233811)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using tyramine as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by resazurin dye-based fluorescence assay
50002785	1	ChEMBL_1776931 (CHEMBL4233923)	Inhibition of horse serum BuChE using acetylthiocholine as substrate by UV-visible spectrophotometric Ellman's method
50002785	2	ChEMBL_1776929 (CHEMBL4233921)	Inhibition of human recombinant AChE using acetylthiocholine as substrate by UV-visible spectrophotometric Ellman's method
50002785	3	ChEMBL_1776932 (CHEMBL4233924)	Inhibition of horse serum BuChE using acetylthiocholine as substrate after 60 mins by FRET assay
50002786	1	ChEMBL_1777001 (CHEMBL4233993)	Displacement of 5-iodoacetamidofluorescein-labelled SRC3 from C417-biotin labelled ERalpha (unknown origin) (304 to 554 residues) after 45 mins by TR-FRET assay
50002786	2	ChEMBL_1776993 (CHEMBL4233985)	Antagonist activity at full length recombinant human ERalpha expressed in baculovirus expression system assessed as inhibition of estradiol-induced Euphorium-labelled LTERHKILHRLLQEGSPSD peptide recruitment after 1.5 hrs by time-resolved fluorescence assay
50002786	3	ChEMBL_1776994 (CHEMBL4233986)	Antagonist activity at full length recombinant human ERbeta expressed in baculovirus expression system assessed as inhibition of estradiol-induced Euphorium-labelled QAQQKSLLQQLLTE peptide recruitment after 1.5 hrs by time-resolved fluorescence assay
50002786	4	ChEMBL_1776998 (CHEMBL4233990)	Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method
50002786	5	ChEMBL_1776988 (CHEMBL4233980)	Displacement of TMR-labelled ILRKLLQE peptide from His6-tagged ERalpha LBD (unknown origin) (304 to 554 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by fluorescence anisotropic method
50002786	6	ChEMBL_1776995 (CHEMBL4233987)	Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FAM-labelled compound after 1 hr by fluorescence polarization method
50002786	7	ChEMBL_1776999 (CHEMBL4233991)	Binding affinity to recombinant human ERbeta LBD (259 to 498 residues) C334S/C369S/C481S triple mutant expressed in Escherichia coli BL21(DE3) by surface plasmon resonance method
50002786	8	ChEMBL_1777002 (CHEMBL4233994)	Binding affinity to recombinant human ERalpha LBD (301 to 553 residues) expressed in Escherichia coli BL21(DE3) using FITC-labelled compound after 1 hr by fluorescence polarization method
50002786	9	ChEMBL_1776991 (CHEMBL4233983)	Displacement of FAM-LTERHKILHRLLQEGSPSD from ERalpha (unknown origin) (302 to 552 residues) expressed in Escherichia coli rosetta (DE3) after 1 hr by fluorescence polarization assay
50002786	10	ChEMBL_1776996 (CHEMBL4233988)	Binding affinity to recombinant human ERbeta LBD (259 to 498 residues) C334S/C369S/C481S triple mutant expressed in Escherichia coli BL21(DE3) using FAM-labelled compound after 1 hr by fluorescence polarization method
50002786	11	ChEMBL_1777000 (CHEMBL4233992)	Binding affinity to recombinant N-terminal His6-tagged ERalpha LBD (unknown origin) (299 to 554 residues) by surface plasmon resonance method
50002786	12	ChEMBL_1776992 (CHEMBL4233984)	Displacement of FAM-LTERHKILHRLLQEGSPSD from ERbeta (unknown origin) (260 to 502 residues) expressed in Escherichia coli rosetta (DE3) after 1 hr by fluorescence polarization assay
50002786	13	ChEMBL_1776989 (CHEMBL4233981)	Displacement of THC-ketone from human ERalpha LBD (304 to 554 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence assay
50002787	1	ChEMBL_1777018 (CHEMBL4234010)	Displacement of [3H]Nalpha-methylhistamine from human H3 receptor
50002788	1	ChEMBL_1777020 (CHEMBL4234012)	Antagonist activity at full length human FXR expressed in HeLa cells co-expressing BSEP-pGL3/pSG5-hRXR assessed as inhibition of GW4064-induced receptor activation after 24 hrs by luciferase reporter gene assay
50002788	2	ChEMBL_1777019 (CHEMBL4234011)	Antagonist activity at full length human FXR expressed in HeLa cells co-expressing BSEP-pGL3/pSG5-hRXR after 24 hrs by luciferase reporter gene assay
50002789	1	ChEMBL_1777049 (CHEMBL4234041)	Inhibition of recombinant full length human CDK5/p25 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP
50002789	2	ChEMBL_1777046 (CHEMBL4234038)	Inhibition of recombinant full length human aurora B expressed in baculovirus infected Sf9 insect cells using MBP as substrate in presence of [gamma-33P]ATP
50002789	3	ChEMBL_1777045 (CHEMBL4234037)	Inhibition of recombinant human haspin kinase domain expressed in bacteria using histone H3 (1 to 21 residues) peptide as substrate in presence of [gamma-33P]ATP
50002789	4	ChEMBL_1777050 (CHEMBL4234042)	Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate in presence of [gamma-33P]ATP
50002789	5	ChEMBL_1777051 (CHEMBL4234043)	Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP
50002789	6	ChEMBL_1777048 (CHEMBL4234040)	Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP
50002789	7	ChEMBL_1777047 (CHEMBL4234039)	Inhibition of recombinant full length human RIPK3 expressed in baculovirus infected Sf9 insect cells using MBP as substrate in presence of [gamma-33P]ATP
50002789	8	ChEMBL_1777053 (CHEMBL4234045)	Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP
50002789	9	ChEMBL_1777052 (CHEMBL4234044)	Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP
50002789	10	ChEMBL_1777427 (CHEMBL4234419)	Inhibition of PKCbeta (unknown origin)
50002789	11	ChEMBL_1777424 (CHEMBL4234416)	Inhibition of PKCgamma (unknown origin)
50002789	12	ChEMBL_1777434 (CHEMBL4234426)	Inhibition of DAG-activated human PKCbeta1 after 10 mins in presence of [32P]ATP by beta scintillation counting method
50002789	13	ChEMBL_1777431 (CHEMBL4234423)	Inhibition of DAG-activated human PKCgamma after 10 mins in presence of [32P]ATP by beta scintillation counting method
50002789	14	ChEMBL_1777425 (CHEMBL4234417)	Inhibition of PKCepsilon (unknown origin)
50002789	15	ChEMBL_1777422 (CHEMBL4234414)	Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting method
50002789	16	ChEMBL_1777433 (CHEMBL4234425)	Inhibition of DAG-activated human PKCbeta2 after 10 mins in presence of [32P]ATP by beta scintillation counting method
50002789	17	ChEMBL_1777432 (CHEMBL4234424)	Inhibition of DAG-activated human PKCalpha after 10 mins in presence of [32P]ATP by beta scintillation counting method
50002789	18	ChEMBL_1777429 (CHEMBL4234421)	Inhibition of wild type PDK1 (unknown origin)
50002789	19	ChEMBL_1777428 (CHEMBL4234420)	Inhibition of PIM1 (unknown origin)
50002789	20	ChEMBL_1777426 (CHEMBL4234418)	Inhibition of PKCalpha (unknown origin)
50002789	21	ChEMBL_1777430 (CHEMBL4234422)	Inhibition of DAG-activated human PKCepsilon after 10 mins in presence of [32P]ATP by beta scintillation counting method
50002790	1	ChEMBL_1777442 (CHEMBL4234434)	Inhibition of mouse recombinant glycolate oxidase expressed in Escherichia coli using glycolate as substrate by sulfonated DCIP dye-based assay
50002790	2	ChEMBL_1777451 (CHEMBL4234443)	Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 48 hrs
50002790	3	ChEMBL_1777450 (CHEMBL4234442)	Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 24 hrs
50002790	4	ChEMBL_1777435 (CHEMBL4234427)	Inhibition of human N-terminal His-tagged glycolate oxidase expressed in C41(D43) Escherichia coli using glycolate as substrate preincubated for 30 mins followed by substrate addition by DCIP dye-based assay
50002790	5	ChEMBL_1777439 (CHEMBL4234431)	Inhibition of glycolate oxidase in mouse Agxt1-/- hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 24 hrs by sulfonated-DCIP dye-based assay
50002790	6	ChEMBL_1777437 (CHEMBL4234429)	Inhibition of glycolate oxidase in mouse Agxt1-/- hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 72 hrs by sulfonated-DCIP dye-based assay
50002790	7	ChEMBL_1777438 (CHEMBL4234430)	Inhibition of glycolate oxidase in mouse Agxt1-/- hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 48 hrs by sulfonated-DCIP dye-based assay
50002790	8	ChEMBL_1777440 (CHEMBL4234432)	Inhibition of mouse N-terminal His-tagged glycolate oxidase expressed in BL21(DE3) Escherichia coli using glycolate as substrate by Cornish-Bowden plot analysis
50002790	9	ChEMBL_1777445 (CHEMBL4234437)	Inhibition of mouse recombinant glycolate oxidase expressed in Escherichia coli using glycolate as substrate by Dixon plot and Cornish-Bowden plot analysis
50002790	10	ChEMBL_1777452 (CHEMBL4234444)	Inhibition of glycolate oxidase in C57BL/6 Agxt1-/- mouse hepatocytes using glycolate as substrate assessed as reduction in oxalate production after 72 hrs
50002791	1	ChEMBL_1777514 (CHEMBL4234506)	Inhibition of COX1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50002791	2	ChEMBL_1777515 (CHEMBL4234507)	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50002792	1	ChEMBL_1777592 (CHEMBL4234584)	Inhibition of human CaV3.1 expressed in HEK293 cells assessed as suppression of T-current after 10 mins by whole cell patch clamp method
50002792	2	ChEMBL_1777587 (CHEMBL4234579)	Inhibition of human CaV3.2 expressed in HEK293 cells assessed as suppression of T-current amplitude after 10 mins by whole cell patch clamp method
50002793	1	ChEMBL_1777650 (CHEMBL4234642)	Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of PP2a by TR-FRET assay
50002793	2	ChEMBL_1777629 (CHEMBL4234621)	Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of PP2a by TR-FRET assay
50002793	3	ChEMBL_1777652 (CHEMBL4234644)	Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of PP2a by TR-FRET assay
50002793	4	ChEMBL_1777651 (CHEMBL4234643)	Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of PP2a by TR-FRET assay
50002793	5	ChEMBL_1777649 (CHEMBL4234641)	Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of PP2a by TR-FRET assay
50002793	6	ChEMBL_1777636 (CHEMBL4234628)	Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintillation counting analysis
50002793	7	ChEMBL_1777638 (CHEMBL4234630)	Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis
50002795	1	ChEMBL_1777721 (CHEMBL4234713)	Displacement of FAM-labelled polkappa-RIR peptide from recombinant human C-terminal Rev1 (1158 to 1251 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by fluorescence polarization assay
50002796	1	ChEMBL_1777746 (CHEMBL4234738)	Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as inhibition of microtumor formation
50002796	2	ChEMBL_1777745 (CHEMBL4234737)	Binding affinity to His-tagged Myc (unknown origin) expressed in Escherichia coli BL21 by Bio-FET analysis
50002797	1	ChEMBL_1777777 (CHEMBL4234769)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate measured for 30 mins by fluorescence method
50002797	2	ChEMBL_1777768 (CHEMBL4234760)	Inhibition of human cathepsin B using Cbz-Phe-Arg-AMC as substrate
50002797	3	ChEMBL_1777774 (CHEMBL4234766)	Inhibition of Plasmodium falciparum falcipain-2 using Cbz-Phe-Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method
50002797	4	ChEMBL_1777771 (CHEMBL4234763)	Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate
50002797	5	ChEMBL_1777780 (CHEMBL4234772)	Inhibition of Trypanosoma cruzi cruzain
50002798	1	ChEMBL_1777793 (CHEMBL4234785)	Binding affinity to N-terminal His6 tagged VHL (54 to 213 residues)/ELoC (17 to 112 residues)/EloB (1 to 120 residues) (unknown origin) complex expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC method
50002799	1	ChEMBL_1777818 (CHEMBL4234810)	Inhibition of recombinant human AlkBH3 assessed as reduction in formaldehyde release using 40-mer single N3-meC as substrate incubated for 60 mins followed by substrate addition measured after 15 mins by fluorescence assay
50002799	2	ChEMBL_1777822 (CHEMBL4234814)	Binding affinity to recombinant human AlkBH3 incubated for 2 mins by isothermal titration calorimetric method
50002800	1	ChEMBL_1777837 (CHEMBL4234829)	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH
50002801	1	ChEMBL_1777922 (CHEMBL4234914)	Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vessel contraction by myographic method
50002802	1	ChEMBL_1777935 (CHEMBL4234927)	Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by spectrofluorimetric method
50002802	2	ChEMBL_1777934 (CHEMBL4234926)	Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method
50002802	3	ChEMBL_1777933 (CHEMBL4234925)	Inhibition of human cathepsin K using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method
50002802	4	ChEMBL_1777932 (CHEMBL4234924)	Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by spectrofluorimetric method
50002802	5	ChEMBL_1777937 (CHEMBL4234929)	Inhibition of human cathepsin K using Z-Phe-Arg-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis
50002802	6	ChEMBL_1777939 (CHEMBL4234931)	Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis
50002802	7	ChEMBL_1777936 (CHEMBL4234928)	Inhibition of human cathepsin B using Z-Phe-Arg-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis
50002802	8	ChEMBL_1777938 (CHEMBL4234930)	Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis
50002803	1	ChEMBL_1777947 (CHEMBL4234939)	Inhibition of C-terminal His-tagged recombinant human ACC1 (1 to 2383 residues) expressed in Baculovirus infected Sf9 insect cells using acetyl CoA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by ADP-Glo assay
50002803	2	ChEMBL_1777946 (CHEMBL4234938)	Inhibition of C-terminal His-tagged full length human ACC2 expressed in Baculovirus infected Sf9 insect cells using acetyl CoA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by ADP-Glo assay
50002804	1	ChEMBL_1777949 (CHEMBL4234941)	Transactivation of human PPARdelta expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay
50002804	2	ChEMBL_1777951 (CHEMBL4234943)	Transactivation of human PPARgamma expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay
50002804	3	ChEMBL_1777950 (CHEMBL4234942)	Transactivation of human PPARalpha expressed in monkey CV-1 cells coexpressing TK-PPRE-Luc after 24 hrs by luciferase reporter gene assay
50002804	4	ChEMBL_1777962 (CHEMBL4234954)	Inhibition of human ERG after 4 hrs by fluorescence polarization assay
50002805	1	ChEMBL_1777976 (CHEMBL4234968)	Agonist activity at rat MOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding based liquid scintillation counting analysis
50002805	2	ChEMBL_1777973 (CHEMBL4234965)	Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis
50002805	3	ChEMBL_1777971 (CHEMBL4234963)	Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis
50002805	4	ChEMBL_1777972 (CHEMBL4234964)	Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis
50002805	5	ChEMBL_1777980 (CHEMBL4234972)	Agonist activity at rat DOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding based liquid scintillation counting analysis
50002805	6	ChEMBL_1777978 (CHEMBL4234970)	Agonist activity at human KOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding based liquid scintillation counting analysis
50002806	1	ChEMBL_1777996 (CHEMBL4234988)	Inhibition of MT-stimulated EG5 ATPase activity (unknown origin) by pyruvate kinase/lactate dehydrogenase enzyme coupled photometric assay
50002806	2	ChEMBL_1777997 (CHEMBL4234989)	Inhibition EG5 (unknown origin)
50002807	1	ChEMBL_1778000 (CHEMBL4234992)	Inhibition of recombinant human IDO using L-tryptophan as substrate after 60 mins
50002808	1	ChEMBL_1778012 (CHEMBL4235004)	Inhibition of LAT1-mediated [14C]-L-leucine uptake in human MCF7 cells after 5 mins by liquid scintillation counting method
50002809	1	ChEMBL_1778017 (CHEMBL4235009)	Inhibition of recombinant human DPP4 using H-Gly-Pro-AMC as substrate measured after 10 mins
50002810	1	ChEMBL_1778023 (CHEMBL4235015)	Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA
50002811	1	ChEMBL_1778027 (CHEMBL4235019)	Channel opening activity at KCNQ2 (unknown origin) expressed in CHO cells after 10 mins by atomic absorption spectrophotometry-based Rb+ flow assay
50002812	1	ChEMBL_1778144 (CHEMBL4235136)	Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase reporter gene assay
50002812	2	ChEMBL_1778139 (CHEMBL4235131)	Activation of p53 in human MCF7 cell lysates assessed as increase in total p53 protein level by Western blot analysis
50002813	1	ChEMBL_1778170 (CHEMBL4235162)	Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fluorimetric assay
50002813	2	ChEMBL_1778172 (CHEMBL4235164)	Inhibition of recombinant Tdp1 (unknown origin) using 5'-([32P]-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured after 20 mins by electrophoresis method
50002813	3	ChEMBL_1778171 (CHEMBL4235163)	Inhibition of recombinant Tdp1 (unknown origin) using 5'-([32P]-aac gtc agg gtc ttc c-tyrosine)-3' as substrate measured after 5 mins by electrophoresis method
50002814	1	ChEMBL_1778180 (CHEMBL4235172)	Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay
50002815	1	ChEMBL_1778196 (CHEMBL4235188)	Inhibition of recombinant full length human N-terminal His tagged BTK expressed in baculovirus infected Sf9 cells using poly (4:1 Glu, Tyr) as substrate after 60 mins by ADP-Glo assay
50002815	2	ChEMBL_1778184 (CHEMBL4235176)	Inhibition of PI3Kgamma (unknown origin)
50002815	3	ChEMBL_1778182 (CHEMBL4235174)	Inhibition of PI3Kalpha (unknown origin)
50002815	4	ChEMBL_1778183 (CHEMBL4235175)	Inhibition of PI3Kbeta (unknown origin)
50002815	5	ChEMBL_1778186 (CHEMBL4235178)	Inhibition of BTK (unknown origin)
50002815	6	ChEMBL_1778187 (CHEMBL4235179)	Inhibition of mTOR (unknown origin)
50002815	7	ChEMBL_1778198 (CHEMBL4235190)	Inhibition of recombinant human full length N-terminal His-tagged PI3K p110delta/p85alpha using lipid substrate after 60 mins by ADP-Glo assay
50002815	8	ChEMBL_1778200 (CHEMBL4235192)	Inhibition of recombinant full length human N-terminal His6-tagged PI3K p110beta/p85alpha expressed in baculovirus infected Sf21 cells using lipid substrate after 60 mins by ADP-Glo assay
50002815	9	ChEMBL_1778202 (CHEMBL4235194)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362-end residues)
50002815	10	ChEMBL_1778199 (CHEMBL4235191)	Inhibition of recombinant human full length His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate after 60 mins by ADP-Glo assay
50002815	11	ChEMBL_1778185 (CHEMBL4235177)	Inhibition of PI3Kdelta (unknown origin)
50002815	12	ChEMBL_1778201 (CHEMBL4235193)	Inhibition of recombinant human full length His-tagged PI3K p110gamma expressed in baculovirus expression system using lipid substrate after 60 mins by ADP-Glo assay
50002817	1	ChEMBL_1778205 (CHEMBL4235197)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry
50002817	2	ChEMBL_1778204 (CHEMBL4235196)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometry
50002817	3	ChEMBL_1778213 (CHEMBL4235205)	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrometry
50002817	4	ChEMBL_1778214 (CHEMBL4235206)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrometry
50002817	5	ChEMBL_1778208 (CHEMBL4235200)	Inverse agonist activity at human CB1 receptor expressed in HEK293 cells co-expressing Galphaq16 assessed as inhibition of calcium mobilization after 90 secs by calcein-4 AAM dye-based FLIPR assay
50002819	1	ChEMBL_1778218 (CHEMBL4235210)	Inhibition of human RORalpha1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50002819	2	ChEMBL_1778217 (CHEMBL4235209)	Agonist activity at VP16-fused human PXR expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50002819	3	ChEMBL_1778222 (CHEMBL4235214)	Inhibition of human RORgamma1 expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay
50002820	1	ChEMBL_1778238 (CHEMBL4235230)	Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular calcium level pretreated for 5 mins followed by thymol addition by Fluo-4-AM dye based fluorescence assay
50002820	2	ChEMBL_1778241 (CHEMBL4235233)	Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced increase in intracellular calcium level pretreated for 5 mins followed by GSK1016790A addition by Fluo-4-AM dye based fluorescence assay
50002820	3	ChEMBL_1778231 (CHEMBL4235223)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular calcium level pretreated for 5 mins followed by capsaicin addition by Fluo-4-AM dye based fluorescence assay
50002820	4	ChEMBL_1778227 (CHEMBL4235219)	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium level by fluo-4-AM dye based fluorescence assay
50002820	5	ChEMBL_1778235 (CHEMBL4235227)	Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced increase in intracellular calcium level pretreated for 5 mins followed by LPC addition by Fluo-4-AM dye based fluorescence assay
50002820	6	ChEMBL_1778232 (CHEMBL4235224)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced increase in intracellular calcium level pretreated for 5 mins followed by icilin addition by Fluo-4-AM dye based fluorescence assay
50002820	7	ChEMBL_1778230 (CHEMBL4235222)	Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based fluorescence assay
50002820	8	ChEMBL_1778228 (CHEMBL4235220)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular calcium level pretreated for 5 mins followed by AITC addition by fluo-4-AM dye based fluorescence assay
50002820	9	ChEMBL_1778237 (CHEMBL4235229)	Agonist activity at rat TRPV3 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based fluorescence assay
50002820	10	ChEMBL_1778234 (CHEMBL4235226)	Agonist activity at rat TRPV2 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based fluorescence assay
50002820	11	ChEMBL_1778240 (CHEMBL4235232)	Agonist activity at rat TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo-4-AM dye based fluorescence assay
50002821	1	ChEMBL_1778263 (CHEMBL4235255)	Inhibition of CFTR-mediated forskolin-induced chloride secretion in human T84 cells after 15 mins by short-circuit current analysis
50002823	1	ChEMBL_1778264 (CHEMBL4235256)	Inhibition of SYK (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 mins
50002823	2	ChEMBL_1778265 (CHEMBL4235257)	Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 mins
50002823	3	ChEMBL_1778266 (CHEMBL4235258)	Inhibition of c-kit (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 25 mins
50002824	1	ChEMBL_1778278 (CHEMBL4235270)	Inhibition of human full length C-terminal His-tagged HDAC3/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expression system using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50002824	2	ChEMBL_1778277 (CHEMBL4235269)	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in Sf9 cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50002824	3	ChEMBL_1778275 (CHEMBL4235267)	Antagonist activity at recombinant human ERalpha expressed in HEK293 cells assessed as inhibition of estradiol-induced YFP-fused SRC1 coactivator recruitment measured after 1 hr in presence of Coelenterazine H by BRET assay
50002825	1	ChEMBL_1778303 (CHEMBL4235295)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in capsaicin-induced intracellular calcium level preincubated for 6 mins followed by capsaicin addition by Fluo-4 dye based FLIPR assay
50002825	2	ChEMBL_1778306 (CHEMBL4235298)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in NADA-induced intracellular calcium level preincubated with cells followed by NADA addition measured after 5 mins by Fluo-4 dye based FLIPR assay
50002825	3	ChEMBL_1778308 (CHEMBL4235300)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in low pH-induced receptor activation by measuring decrease in intracellular calcium level preincubated with cells for 5 mins followed by incubation under pH 6 to 6.3 condition by Fluo-4 dye based FLIPR assay
50002825	4	ChEMBL_1778307 (CHEMBL4235299)	Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as reduction in heat-induced intracellular calcium level preincubated with cells for 5 mins followed by incubation under 45 degC by Fluo-4 dye based FLIPR assay
50002826	1	ChEMBL_1778455 (CHEMBL4235447)	Inhibition of ZAP70 (unknown origin)
50002826	2	ChEMBL_1778312 (CHEMBL4235304)	Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotometric assay
50002826	3	ChEMBL_1778315 (CHEMBL4235307)	Inhibition of CYP3A4 (unknown origin)
50002826	4	ChEMBL_1778318 (CHEMBL4235310)	Inhibition of Akt2 (unknown origin)
50002826	5	ChEMBL_1778321 (CHEMBL4235313)	Inhibition of ATR (unknown origin)
50002826	6	ChEMBL_1778328 (CHEMBL4235320)	Inhibition of Brsk2 (unknown origin)
50002826	7	ChEMBL_1778351 (CHEMBL4235343)	Inhibition of DNAPK (unknown origin)
50002826	8	ChEMBL_1778354 (CHEMBL4235346)	Inhibition of EGFR (unknown origin)
50002826	9	ChEMBL_1778357 (CHEMBL4235349)	Inhibition of EphB4 (unknown origin)
50002826	10	ChEMBL_1778360 (CHEMBL4235352)	Inhibition of FAK (unknown origin)
50002826	11	ChEMBL_1778448 (CHEMBL4235440)	Inhibition of SYK (unknown origin)
50002826	12	ChEMBL_1778451 (CHEMBL4235443)	Inhibition of TIE2 (unknown origin)
50002826	13	ChEMBL_1778324 (CHEMBL4235316)	Inhibition of AurC (unknown origin)
50002826	14	ChEMBL_1778374 (CHEMBL4235366)	Inhibition of IGF1R (unknown origin)
50002826	15	ChEMBL_1778381 (CHEMBL4235373)	Inhibition of JAK2 (unknown origin)
50002826	16	ChEMBL_1778384 (CHEMBL4235376)	Inhibition of JNK3 (unknown origin)
50002826	17	ChEMBL_1778364 (CHEMBL4235356)	Inhibition of FGFR2 (unknown origin)
50002826	18	ChEMBL_1778367 (CHEMBL4235359)	Inhibition of FLT1 (unknown origin)
50002826	19	ChEMBL_1778370 (CHEMBL4235362)	Inhibition of FMS (unknown origin)
50002826	20	ChEMBL_1778397 (CHEMBL4235389)	Inhibition of MKK7 (unknown origin)
50002826	21	ChEMBL_1778403 (CHEMBL4235395)	Inhibition of NEK1 (unknown origin)
50002826	22	ChEMBL_1778406 (CHEMBL4235398)	Inhibition of p38delta (unknown origin)
50002826	23	ChEMBL_1778429 (CHEMBL4235421)	Inhibition of PRK2 (unknown origin)
50002826	24	ChEMBL_1778432 (CHEMBL4235424)	Inhibition of PRKD3 (unknown origin)
50002826	25	ChEMBL_1778439 (CHEMBL4235431)	Inhibition of RSK1 (unknown origin)
50002826	26	ChEMBL_1778336 (CHEMBL4235328)	Inhibition of CDK1/CycB (unknown origin)
50002826	27	ChEMBL_1778339 (CHEMBL4235331)	Inhibition of CerK (unknown origin)
50002826	28	ChEMBL_1778342 (CHEMBL4235334)	Inhibition of ChoK (unknown origin)
50002826	29	ChEMBL_1778345 (CHEMBL4235337)	Inhibition of CLK3 (unknown origin)
50002826	30	ChEMBL_1778348 (CHEMBL4235340)	Inhibition of DAPK1 (unknown origin)
50002826	31	ChEMBL_1778387 (CHEMBL4235379)	Inhibition of LCK (unknown origin)
50002826	32	ChEMBL_1778392 (CHEMBL4235384)	Inhibition of MEK1 (unknown origin)
50002826	33	ChEMBL_1778394 (CHEMBL4235386)	Inhibition of MET (unknown origin)
50002826	34	ChEMBL_1778413 (CHEMBL4235405)	Inhibition of PAK3 (unknown origin)
50002826	35	ChEMBL_1778416 (CHEMBL4235408)	Inhibition of PHKgamma2 (unknown origin)
50002826	36	ChEMBL_1778419 (CHEMBL4235411)	Inhibition of Pim2 (unknown origin)
50002826	37	ChEMBL_1778422 (CHEMBL4235414)	Inhibition of PKCepsilon (unknown origin)
50002826	38	ChEMBL_1778425 (CHEMBL4235417)	Inhibition of PKCiota (unknown origin)
50002826	39	ChEMBL_1778327 (CHEMBL4235319)	Inhibition of Brsk1 (unknown origin)
50002826	40	ChEMBL_1778329 (CHEMBL4235321)	Inhibition of Btk (unknown origin)
50002826	41	ChEMBL_1778331 (CHEMBL4235323)	Inhibition of Camk1D (unknown origin)
50002826	42	ChEMBL_1778333 (CHEMBL4235325)	Inhibition of CamK2B (unknown origin)
50002826	43	ChEMBL_1778335 (CHEMBL4235327)	Inhibition of CamK2 (unknown origin)
50002826	44	ChEMBL_1778337 (CHEMBL4235329)	Inhibition of CDK2/CycA (unknown origin)
50002826	45	ChEMBL_1778338 (CHEMBL4235330)	Inhibition of CDK5/p35 (unknown origin)
50002826	46	ChEMBL_1778340 (CHEMBL4235332)	Inhibition of CheK1 (unknown origin)
50002826	47	ChEMBL_1778341 (CHEMBL4235333)	Inhibition of CheK2 (unknown origin)
50002826	48	ChEMBL_1778343 (CHEMBL4235335)	Inhibition of CIT (unknown origin)
50002826	49	ChEMBL_1778346 (CHEMBL4235338)	Inhibition of COT (unknown origin)
50002826	50	ChEMBL_1778347 (CHEMBL4235339)	Inhibition of CSK (unknown origin)
50002826	51	ChEMBL_1778349 (CHEMBL4235341)	Inhibition of DCAMKL2 (unknown origin)
50002826	52	ChEMBL_1778353 (CHEMBL4235345)	Inhibition of DYRK2 (unknown origin)
50002826	53	ChEMBL_1778356 (CHEMBL4235348)	Inhibition of EphB2 (unknown origin)
50002826	54	ChEMBL_1778359 (CHEMBL4235351)	Inhibition of Erk2 (unknown origin)
50002826	55	ChEMBL_1778361 (CHEMBL4235353)	Inhibition of FER (unknown origin)
50002826	56	ChEMBL_1778366 (CHEMBL4235358)	Inhibition of FGFR4 (unknown origin)
50002826	57	ChEMBL_1778369 (CHEMBL4235361)	Inhibition of FLT4 (unknown origin)
50002826	58	ChEMBL_1778371 (CHEMBL4235363)	Inhibition of FYN (unknown origin)
50002826	59	ChEMBL_1778373 (CHEMBL4235365)	Inhibition of HCK (unknown origin)
50002826	60	ChEMBL_1778376 (CHEMBL4235368)	Inhibition of IKKbeta (unknown origin)
50002826	61	ChEMBL_1778378 (CHEMBL4235370)	Inhibition of ITK (unknown origin)
50002826	62	ChEMBL_1778380 (CHEMBL4235372)	Inhibition of IRAK4 (unknown origin)
50002826	63	ChEMBL_1778382 (CHEMBL4235374)	Inhibition of JAK3 (unknown origin)
50002826	64	ChEMBL_1778385 (CHEMBL4235377)	Inhibition of KDR (unknown origin)
50002826	65	ChEMBL_1778386 (CHEMBL4235378)	Inhibition of KIT (unknown origin)
50002826	66	ChEMBL_1778389 (CHEMBL4235381)	Inhibition of MAP4K4 (unknown origin)
50002826	67	ChEMBL_1778391 (CHEMBL4235383)	Inhibition of MARK1 (unknown origin)
50002826	68	ChEMBL_1778421 (CHEMBL4235413)	Inhibition of PKCbeta1 (unknown origin)
50002826	69	ChEMBL_1778424 (CHEMBL4235416)	Inhibition of PKCgamma (unknown origin)
50002826	70	ChEMBL_1778426 (CHEMBL4235418)	Inhibition of PKCtheta (unknown origin)
50002826	71	ChEMBL_1778434 (CHEMBL4235426)	Inhibition of RAFc (unknown origin)
50002826	72	ChEMBL_1778437 (CHEMBL4235429)	Inhibition of RON (unknown origin)
50002826	73	ChEMBL_1778442 (CHEMBL4235434)	Inhibition of SGK (unknown origin)
50002826	74	ChEMBL_1778444 (CHEMBL4235436)	Inhibition of SGK2 (unknown origin)
50002826	75	ChEMBL_1778446 (CHEMBL4235438)	Inhibition of SphK1 (unknown origin)
50002826	76	ChEMBL_1778447 (CHEMBL4235439)	Inhibition of SRC (unknown origin)
50002826	77	ChEMBL_1778449 (CHEMBL4235441)	Inhibition of TAK1 (unknown origin)
50002826	78	ChEMBL_1778452 (CHEMBL4235444)	Inhibition of TSSK2 (unknown origin)
50002826	79	ChEMBL_1778454 (CHEMBL4235446)	Inhibition of YES (unknown origin)
50002826	80	ChEMBL_1778402 (CHEMBL4235394)	Inhibition of NAK (unknown origin)
50002826	81	ChEMBL_1778407 (CHEMBL4235399)	Inhibition of p38gamma (unknown origin)
50002826	82	ChEMBL_1778414 (CHEMBL4235406)	Inhibition of PASK (unknown origin)
50002826	83	ChEMBL_1778427 (CHEMBL4235419)	Inhibition of PLK1 (unknown origin)
50002826	84	ChEMBL_1778441 (CHEMBL4235433)	Inhibition of RSK3 (unknown origin)
50002826	85	ChEMBL_1778316 (CHEMBL4235308)	Inhibition of Abl1 (unknown origin)
50002826	86	ChEMBL_1778317 (CHEMBL4235309)	Inhibition of Akt1 (unknown origin)
50002826	87	ChEMBL_1778319 (CHEMBL4235311)	Inhibition of Akt3 (unknown origin)
50002826	88	ChEMBL_1778323 (CHEMBL4235315)	Inhibition of AurB (unknown origin)
50002826	89	ChEMBL_1778325 (CHEMBL4235317)	Inhibition of Blk (unknown origin)
50002826	90	ChEMBL_1778365 (CHEMBL4235357)	Inhibition of FGFR3 (unknown origin)
50002826	91	ChEMBL_1778383 (CHEMBL4235375)	Inhibition of JNK1 (unknown origin)
50002826	92	ChEMBL_1778388 (CHEMBL4235380)	Inhibition of LYN (unknown origin)
50002826	93	ChEMBL_1778393 (CHEMBL4235385)	Inhibition of MER (unknown origin)
50002826	94	ChEMBL_1778395 (CHEMBL4235387)	Inhibition of MINK (unknown origin)
50002826	95	ChEMBL_1778396 (CHEMBL4235388)	Inhibition of MKK6 (unknown origin)
50002826	96	ChEMBL_1778399 (CHEMBL4235391)	Inhibition of MSK2 (unknown origin)
50002826	97	ChEMBL_1778401 (CHEMBL4235393)	Inhibition of MST2 (unknown origin)
50002826	98	ChEMBL_1778404 (CHEMBL4235396)	Inhibition of NEK2 (unknown origin)
50002826	99	ChEMBL_1778409 (CHEMBL4235401)	Inhibition of p38beta (unknown origin)
50002826	100	ChEMBL_1778412 (CHEMBL4235404)	Inhibition of PAK2 (unknown origin)
50002826	101	ChEMBL_1778417 (CHEMBL4235409)	Inhibition of PI3Kgamma (unknown origin)
50002826	102	ChEMBL_1778363 (CHEMBL4235355)	Inhibition of FGFR1 (unknown origin)
50002826	103	ChEMBL_1778398 (CHEMBL4235390)	Inhibition of MSK1 (unknown origin)
50002826	104	ChEMBL_1778400 (CHEMBL4235392)	Inhibition of MST1 (unknown origin)
50002826	105	ChEMBL_1778405 (CHEMBL4235397)	Inhibition of NIK (unknown origin)
50002826	106	ChEMBL_1778408 (CHEMBL4235400)	Inhibition of p38alpha (unknown origin)
50002826	107	ChEMBL_1778410 (CHEMBL4235402)	Inhibition of p70S6K (unknown origin)
50002826	108	ChEMBL_1778411 (CHEMBL4235403)	Inhibition of PAK1 (unknown origin)
50002826	109	ChEMBL_1778415 (CHEMBL4235407)	Inhibition of PDGFRalpha (unknown origin)
50002826	110	ChEMBL_1778418 (CHEMBL4235410)	Inhibition of Pim1 (unknown origin)
50002826	111	ChEMBL_1778423 (CHEMBL4235415)	Inhibition of PKCbeta2 (unknown origin)
50002826	112	ChEMBL_1778428 (CHEMBL4235420)	Inhibition of PRAK (unknown origin)
50002826	113	ChEMBL_1778430 (CHEMBL4235422)	Inhibition of PRKD1 (unknown origin)
50002826	114	ChEMBL_1778431 (CHEMBL4235423)	Inhibition of PRKD2 (unknown origin)
50002826	115	ChEMBL_1778433 (CHEMBL4235425)	Inhibition of PYK2 (unknown origin)
50002826	116	ChEMBL_1778435 (CHEMBL4235427)	Inhibition of RET (unknown origin)
50002826	117	ChEMBL_1778436 (CHEMBL4235428)	Inhibition of ROCK2 (unknown origin)
50002826	118	ChEMBL_1778438 (CHEMBL4235430)	Inhibition of ROS (unknown origin)
50002826	119	ChEMBL_1778440 (CHEMBL4235432)	Inhibition of RSK2 (unknown origin)
50002826	120	ChEMBL_1778443 (CHEMBL4235435)	Inhibition of SGK1 (unknown origin)
50002826	121	ChEMBL_1778445 (CHEMBL4235437)	Inhibition of SGK3 (unknown origin)
50002826	122	ChEMBL_1778450 (CHEMBL4235442)	Inhibition of TBK1 (unknown origin)
50002826	123	ChEMBL_1778453 (CHEMBL4235445)	Inhibition of TYRO3 (unknown origin)
50002826	124	ChEMBL_1778326 (CHEMBL4235318)	Inhibition of BMX (unknown origin)
50002826	125	ChEMBL_1778330 (CHEMBL4235322)	Inhibition of cTak1 (unknown origin)
50002826	126	ChEMBL_1778332 (CHEMBL4235324)	Inhibition of Camk2A (unknown origin)
50002826	127	ChEMBL_1778334 (CHEMBL4235326)	Inhibition of CamK4 (unknown origin)
50002826	128	ChEMBL_1778322 (CHEMBL4235314)	Inhibition of AurA (unknown origin)
50002826	129	ChEMBL_1778344 (CHEMBL4235336)	Inhibition of CK1 (unknown origin)
50002826	130	ChEMBL_1778350 (CHEMBL4235342)	Inhibition of DCLK1 (unknown origin)
50002826	131	ChEMBL_1778352 (CHEMBL4235344)	Inhibition of DYRK1A (unknown origin)
50002826	132	ChEMBL_1778355 (CHEMBL4235347)	Inhibition of EphA4 (unknown origin)
50002826	133	ChEMBL_1778358 (CHEMBL4235350)	Inhibition of Erk1 (unknown origin)
50002826	134	ChEMBL_1778362 (CHEMBL4235354)	Inhibition of FES (unknown origin)
50002826	135	ChEMBL_1778368 (CHEMBL4235360)	Inhibition of FLT3 (unknown origin)
50002826	136	ChEMBL_1778372 (CHEMBL4235364)	Inhibition of GSK3beta (unknown origin)
50002826	137	ChEMBL_1778375 (CHEMBL4235367)	Inhibition of IKKalpha (unknown origin)
50002826	138	ChEMBL_1778377 (CHEMBL4235369)	Inhibition of INSR (unknown origin)
50002826	139	ChEMBL_1778379 (CHEMBL4235371)	Inhibition of IRAK1 (unknown origin)
50002826	140	ChEMBL_1778390 (CHEMBL4235382)	Inhibition of MAPKAPK2 (unknown origin)
50002827	1	ChEMBL_1778461 (CHEMBL4235453)	Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-CodonPlus cells using M13mp18 as substrate after 1 hr by ethidium bromide staining-based agarose gel electrophoresis
50002828	1	ChEMBL_1778465 (CHEMBL4235457)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium levels measured for 90 secs by Fluo 4-AM dye based FLIPR assay
50002829	1	ChEMBL_1778481 (CHEMBL4235473)	Binding affinity to human ALK2 by KdELECT assay
50002829	2	ChEMBL_1778470 (CHEMBL4235462)	Inhibition of recombinant GST-tagged human ALK2 catalytic domain (145 to 509 residues) expressed in Baculovirus expression system by FRET-based LanthaScreen Eu kinase binding assay
50002829	3	ChEMBL_1778487 (CHEMBL4235479)	Binding affinity to partial length human RAF1 (I330 to T640 residues) expressed in bacterial expression system by KdELECT assay
50002829	4	ChEMBL_1778488 (CHEMBL4235480)	Binding affinity to partial length human KIT (I571 to D952 residues) expressed in bacterial expression system by KdELECT assay
50002829	5	ChEMBL_1778484 (CHEMBL4235476)	Binding affinity to human ALK5 by KdELECT assay
50002829	6	ChEMBL_1778480 (CHEMBL4235472)	Binding affinity to human ALK1 by KdELECT assay
50002829	7	ChEMBL_1778490 (CHEMBL4235482)	Binding affinity to partial length human PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system by KdELECT assay
50002829	8	ChEMBL_1778489 (CHEMBL4235481)	Binding affinity to partial length human PDGFRA (V575 to D1002 residues) expressed in mammalian expression system by KdELECT assay
50002829	9	ChEMBL_1778486 (CHEMBL4235478)	Binding affinity to partial length human BRAF (S429 to E741 residues) expressed in mammalian expression system by KdELECT assay
50002829	10	ChEMBL_1778485 (CHEMBL4235477)	Binding affinity to human ALK6 by KdELECT assay
50002829	11	ChEMBL_1778483 (CHEMBL4235475)	Binding affinity to human ALK4 by KdELECT assay
50002829	12	ChEMBL_1778482 (CHEMBL4235474)	Binding affinity to human ALK3 by KdELECT assay
50002830	1	ChEMBL_1778534 (CHEMBL4235526)	Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate
50002831	1	ChEMBL_1778549 (CHEMBL4235541)	Inhibition of human TRPV1 expressed in HEK293 cells assessed as reduction in capsaicin-induced activity pretreated for 2.5 mins followed by capsaicin addition measured immediately in presence of coelenterazine h
50002832	1	ChEMBL_1778572 (CHEMBL4235564)	Antagonist activity at FLAG-tagged human TLR2/TLR1 expressed in HEK293 cells co-expressing pGL3-Elam.luc assessed as inhibition of Pam3CSK4-stimulated NF-kappaB activation preincubated for 1 hr followed by Pam3CSK4 stimulation for 5 hrs by luciferase reporter gene assay
50002833	1	ChEMBL_1778594 (CHEMBL4235586)	Inhibition of recombinant human MMP2 catalytic domain (Tyr110 to Asp452 residues) preincubated for 45 mins followed by Mea-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 substrate addition by fluorescence assay
50002833	2	ChEMBL_1778595 (CHEMBL4235587)	Inhibition of recombinant human MMP9 (Phe107 to Pro449 residues) expressed in Escherichia coli preincubated for 45 mins followed by Mea-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 substrate addition by fluorescence assay
50002834	1	ChEMBL_1778615 (CHEMBL4235607)	Inhibition of Mycobacterium tuberculosis DNA gyrase supercoiling activity using relaxed pBR322 as substrate after 30 mins by agarose gel electrophoresis
50002835	1	ChEMBL_1778690 (CHEMBL4235682)	Transactivation of human GPR40 expressed in HEK293 cells after 24 hrs by Elk-Gal4 luciferase reporter assay
50002836	1	ChEMBL_1778705 (CHEMBL4235697)	Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay
50002836	2	ChEMBL_1778704 (CHEMBL4235696)	Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled peptide as substrate measured after 60 mins by fluorescence assay
50002836	3	ChEMBL_1778711 (CHEMBL4235703)	Inhibition of TEC (unknown origin)
50002836	4	ChEMBL_1778708 (CHEMBL4235700)	Inhibition of JAK2 (unknown origin)
50002836	5	ChEMBL_1778714 (CHEMBL4235706)	Inhibition of HER4 (unknown origin)
50002836	6	ChEMBL_1778710 (CHEMBL4235702)	Inhibition of BMX (unknown origin)
50002836	7	ChEMBL_1778713 (CHEMBL4235705)	Inhibition of JAK3 (unknown origin)
50002836	8	ChEMBL_1778712 (CHEMBL4235704)	Inhibition of TXK (unknown origin)
50002836	9	ChEMBL_1778709 (CHEMBL4235701)	Inhibition of ITK (unknown origin)
50002836	10	ChEMBL_1778707 (CHEMBL4235699)	Inhibition of LCK (unknown origin)
50002839	1	ChEMBL_1778763 (CHEMBL4235755)	Agonist activity at EPO receptor in human TF1 cells assessed as induction of cell proliferation after 48 hrs by MTT assay
50002841	1	ChEMBL_1778803 (CHEMBL4235795)	Inhibition of human CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay
50002841	2	ChEMBL_1778808 (CHEMBL4235800)	Inhibition of human CCR6 expressed in CHO cells assessed as decrease in human CCL20-dependent cell migration incubated for 4 hrs by Diff-Quik staining based assay
50002841	3	ChEMBL_1778811 (CHEMBL4235803)	Inhibition of human CCR7 expressed in CHO cells assessed as decrease in CCL19-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay
50002841	4	ChEMBL_1778809 (CHEMBL4235801)	Inhibition of monkey CCR6 expressed in CHO cells assessed as decrease in CCL20-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay
50002841	5	ChEMBL_1778810 (CHEMBL4235802)	Inhibition of human CCR1 expressed in CHO cells assessed as decrease in RANTES-induced reduction of forskolin-stimulated cAMP accumulation preincubated for 30 mins followed agonist addition measured after 30 mins by HTRF assay
50002842	1	ChEMBL_1778830 (CHEMBL4235822)	Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
50002842	2	ChEMBL_1778827 (CHEMBL4235819)	Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
50002842	3	ChEMBL_1778828 (CHEMBL4235820)	Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
50002842	4	ChEMBL_1778829 (CHEMBL4235821)	Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method
50002843	1	ChEMBL_1778844 (CHEMBL4235836)	Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 mins by ELISA
50002843	2	ChEMBL_1778843 (CHEMBL4235835)	Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA
50002843	3	ChEMBL_1778842 (CHEMBL4235834)	Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA
50002844	1	ChEMBL_1778943 (CHEMBL4235935)	Agonist activity at human GPR119 expressed in CHOK1 cells assessed as cAMP accumulation after 1 hr by ultra LANCE assay
50002844	2	ChEMBL_1778942 (CHEMBL4235934)	Agonist activity at GPR119 (unknown origin)
50002845	1	ChEMBL_1778956 (CHEMBL4235948)	Inhibition of aurora B (unknown origin)
50002845	2	ChEMBL_1778955 (CHEMBL4235947)	Inhibition of human ERG
50002845	3	ChEMBL_1778954 (CHEMBL4235946)	Inhibition of Trypanosoma cruzi CYP51
50002845	4	ChEMBL_1778957 (CHEMBL4235949)	Inhibition of CB1 (unknown origin)
50002846	1	ChEMBL_1778958 (CHEMBL4235950)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method
50002846	2	ChEMBL_1778960 (CHEMBL4235952)	Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method
50002846	3	ChEMBL_1778962 (CHEMBL4235954)	Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate incubated for 10 mins followed by substrate addition by spectrophotometric method
50002846	4	ChEMBL_1778964 (CHEMBL4235956)	Competitive inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Lineweaver-Burk double-reciprocal plot analysis
50002847	1	ChEMBL_1779015 (CHEMBL4236007)	Binding affinity to amyloid beta (1 to 42) (unknown origin) by surface plasmon resonance assay
50002848	1	ChEMBL_1779022 (CHEMBL4236014)	Inhibition of recombinant human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys (epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay
50002848	2	ChEMBL_1779020 (CHEMBL4236012)	Inhibition of recombinant human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50002848	3	ChEMBL_1779021 (CHEMBL4236013)	Inhibition of recombinant human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50002849	1	ChEMBL_1779045 (CHEMBL4236037)	Inhibition of MNK2 (unknown origin) using S3 as substrate measured after 60 mins by HTRF assay
50002849	2	ChEMBL_1779050 (CHEMBL4236042)	Inhibition of MNK2 (unknown origin)
50002849	3	ChEMBL_1779044 (CHEMBL4236036)	Inhibition of MNK1 (unknown origin) using S3 as substrate measured after 60 mins by HTRF assay
50002850	1	ChEMBL_1779053 (CHEMBL4236045)	Inhibition of HPGDS (unknown origin)
50002851	1	ChEMBL_1779091 (CHEMBL4236083)	Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002851	2	ChEMBL_1779089 (CHEMBL4236081)	Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002851	3	ChEMBL_1779087 (CHEMBL4236079)	Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002851	4	ChEMBL_1779090 (CHEMBL4236082)	Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002851	5	ChEMBL_1779088 (CHEMBL4236080)	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50002852	1	ChEMBL_1779220 (CHEMBL4236212)	Inhibition of human PDGFRbeta using biotin labeled substrate after 1 hr by HTFR assay
50002852	2	ChEMBL_1779219 (CHEMBL4236211)	Inhibition of human KDR using biotin labeled substrate after 1 hr by HTFR assay
50002852	3	ChEMBL_1779218 (CHEMBL4236210)	Inhibition of human FLT3 using biotin labeled substrate after 1 hr by HTFR assay
50002853	1	ChEMBL_1779224 (CHEMBL4236216)	Binding affinity to full length recombinant human N-terminal His6-tagged H-PGDS expressed in Escherichia coli BL21(DE3) by SPR analysis
50002854	1	ChEMBL_1779260 (CHEMBL4236252)	Inhibition of human full length BTK using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate after 90 mins by microfluid mobility shift assay
50002854	2	ChEMBL_1779286 (CHEMBL4236278)	Inhibition of BTK (unknown origin)
50002854	3	ChEMBL_1779273 (CHEMBL4236265)	Inhibition of CYP2B6 (unknown origin)
50002854	4	ChEMBL_1779275 (CHEMBL4236267)	Inhibition of CYP2C9 (unknown origin)
50002854	5	ChEMBL_1779271 (CHEMBL4236263)	Binding affinity to human ERG
50002854	6	ChEMBL_1779276 (CHEMBL4236268)	Inhibition of CYP3A4 (unknown origin)
50002854	7	ChEMBL_1779272 (CHEMBL4236264)	Inhibition of CYP2C8 (unknown origin)
50002854	8	ChEMBL_1779267 (CHEMBL4236259)	Inhibition of BTK in whole blood (unknown origin)
50002854	9	ChEMBL_1779266 (CHEMBL4236258)	Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr by flow cytometric analysis
50002854	10	ChEMBL_1779274 (CHEMBL4236266)	Inhibition of CYP2C19 (unknown origin)
50002856	1	ChEMBL_1779290 (CHEMBL4236282)	Inhibition of human recombinant HDAC1 using Fluor de Lys as substrate after 2 hrs by fluorescence method
50002856	2	ChEMBL_1779293 (CHEMBL4236285)	Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method
50002856	3	ChEMBL_1779295 (CHEMBL4236287)	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method
50002856	4	ChEMBL_1779297 (CHEMBL4236289)	Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method
50002856	5	ChEMBL_1779299 (CHEMBL4236291)	Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method
50002856	6	ChEMBL_1779301 (CHEMBL4236293)	Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate after 45 mins by fluorimetrc method
50002856	7	ChEMBL_1779303 (CHEMBL4236295)	Inhibition of human recombinant SIRT2 using fluoro-lysine sirtuin 2 deacetylase substrate after 60 mins by fluorimetrc method
50002856	8	ChEMBL_1779305 (CHEMBL4236297)	Inhibition of SIRT7 (unknown origin)
50002856	9	ChEMBL_1779298 (CHEMBL4236290)	Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2a after 45 mins by fluorimetrc method
50002856	10	ChEMBL_1779304 (CHEMBL4236296)	Inhibition of human recombinant SIRT3 using fluoro-lysine sirtuin 2 deacetylase substrate after 45 mins by fluorimetrc method
50002856	11	ChEMBL_1779292 (CHEMBL4236284)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method
50002856	12	ChEMBL_1779306 (CHEMBL4236298)	Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method
50002856	13	ChEMBL_1779294 (CHEMBL4236286)	Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate after 10 mins by spectrophotometric method
50002856	14	ChEMBL_1779296 (CHEMBL4236288)	Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method
50002856	15	ChEMBL_1779300 (CHEMBL4236292)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate after 30 mins by fluorimetrc method
50002856	16	ChEMBL_1779302 (CHEMBL4236294)	Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method
50002857	1	ChEMBL_1779331 (CHEMBL4236323)	Inhibition of Mycobacterium tuberculosis DNA gyrase activity
50002857	2	ChEMBL_1779332 (CHEMBL4236324)	Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity
50002858	1	ChEMBL_1779339 (CHEMBL4236331)	Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells
50002858	2	ChEMBL_1779338 (CHEMBL4236330)	Displacement of [3H]CP-55,940 from rat brain Cb1 receptor
50002858	3	ChEMBL_1779342 (CHEMBL4236334)	Agonist activity at recombinant human Cb2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels
50002858	4	ChEMBL_1779341 (CHEMBL4236333)	Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels
50002858	5	ChEMBL_1779340 (CHEMBL4236332)	Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells
50002859	1	ChEMBL_1779392 (CHEMBL4236384)	Inhibition of recombinant human GST-tagged JAK2 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition measured after 30 mins by HTRF assay
50002859	2	ChEMBL_1779390 (CHEMBL4236382)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition measured after 30 mins by HTRF assay
50002859	3	ChEMBL_1779391 (CHEMBL4236383)	Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition measured after 30 mins by HTRF assay
50002859	4	ChEMBL_1779393 (CHEMBL4236385)	Inhibition of recombinant human GST-tagged TYK2 catalytic domain expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition measured after 30 mins by HTRF assay
50002859	5	ChEMBL_1779398 (CHEMBL4236390)	Inhibition of JAK3 in rat splenocytic T cells assessed as reduction in IL-2-induced cell proliferation after 72 hrs by MTS assay
50002859	6	ChEMBL_1779397 (CHEMBL4236389)	Inhibition of BTK (unknown origin) using TK-substrate-biotin measured after 30 mins by HTRF assay
50002860	1	ChEMBL_1779461 (CHEMBL4236453)	Inhibition of rat MAOA using 5-hydroxytryptamine as substrate pretreated for 1200 secs followed by substrate addition and measured after 3600 secs
50002860	2	ChEMBL_1779462 (CHEMBL4236454)	Inhibition of rat MAOB using benzylamine as substrate pretreated for 1200 secs followed by substrate addition and measured after 3600 secs
50002861	1	ChEMBL_1779477 (CHEMBL4236469)	Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using Biotin-Lyn-Substrate2 after 1 hr by ELISA
50002861	2	ChEMBL_1779476 (CHEMBL4236468)	Inhibition of recombinant human N-terminal GST-tagged JAK1 catalytic domain (850 to 1154 residues) expressed in baculovirus expression system using Biotin-Lyn-Substrate2 after 1 hr by ELISA
50002861	3	ChEMBL_1779485 (CHEMBL4236477)	Inhibition of JAK2 in human TF1 cells assessed as reduction in EPO-induced cell proliferation after 2 days by alamar blue assay
50002861	4	ChEMBL_1779473 (CHEMBL4236465)	Inhibition of JAK3 (unknown origin)
50002861	5	ChEMBL_1779478 (CHEMBL4236470)	Inhibition of recombinant human N-terminal GST-tagged TYK2 catalytic domain (871 to 1187 residues) expressed in baculovirus expression system using Biotin-Lyn-Substrate2 after 1 hr by ELISA
50002861	6	ChEMBL_1779475 (CHEMBL4236467)	Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using Biotin-Lyn-Substrate2 after 1 hr by ELISA
50002861	7	ChEMBL_1779484 (CHEMBL4236476)	Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL-2-induced T cell proliferation after 3 days by alamar blue assay
50002861	8	ChEMBL_1779481 (CHEMBL4236473)	Inhibition of JAK2 (unknown origin)
50002861	9	ChEMBL_1779480 (CHEMBL4236472)	Inhibition of JAK1 (unknown origin)
50002862	1	ChEMBL_1779572 (CHEMBL4236564)	Antagonist activity at mouse TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 mins followed by icilin addition by CCD-camera-based FLASH luminometric analysis
50002862	2	ChEMBL_1779570 (CHEMBL4236562)	Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 mins followed by icilin addition by CCD-camera-based FLASH luminometric analysis
50002862	3	ChEMBL_1779571 (CHEMBL4236563)	Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 mins followed by icilin addition by CCD-camera-based FLASH luminometric analysis
50002862	4	ChEMBL_1779596 (CHEMBL4236588)	Inhibition of TRPA1 (unknown origin)
50002862	5	ChEMBL_1779593 (CHEMBL4236585)	Inhibition of TRPV1 (unknown origin)
50002862	6	ChEMBL_1779594 (CHEMBL4236586)	Inhibition of TRPV3 (unknown origin)
50002862	7	ChEMBL_1779595 (CHEMBL4236587)	Inhibition of TRPV4 (unknown origin)
50002863	1	ChEMBL_1779614 (CHEMBL4236606)	Inhibition of N-terminal truncated recombinant human LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3 (1 to 21 residues) K4me2 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by peroxidase-coupled assay
50002863	2	ChEMBL_1779617 (CHEMBL4236609)	Binding affinity to fluorescently labeled recombinant human LSD1 expressed in Escherichia coli by MST analysis
50002863	3	ChEMBL_1779620 (CHEMBL4236612)	Inhibition of recombinant full length N-terminal FLAG-tagged human MAO-B expressed in baculovirus infected Sf9 insect cells using flag peptide as substrate after 1 hr by spectrometric method
50002863	4	ChEMBL_1779619 (CHEMBL4236611)	Inhibition of recombinant full length N-terminal FLAG-tagged human MAO-A expressed in baculovirus infected Sf9 insect cells using flag peptide as substrate after 1 hr by spectrometric method
50002864	1	ChEMBL_1779643 (CHEMBL4236635)	Inhibition of alpha-glucosidase (unknown origin)
50002865	1	ChEMBL_1779645 (CHEMBL4236637)	Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen assay
50002865	2	ChEMBL_1779652 (CHEMBL4236644)	Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 4 hrs by alpha-screen assay
50002865	3	ChEMBL_1779647 (CHEMBL4236639)	Inhibition of N-terminal His-tagged BRD4 (BD1/BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen assay
50002865	4	ChEMBL_1779650 (CHEMBL4236642)	Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 5 mins by alpha-screen assay
50002865	5	ChEMBL_1779646 (CHEMBL4236638)	Inhibition of N-terminal His-tagged BRD4 (BD2) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 30 mins by alpha-screen assay
50002865	6	ChEMBL_1779651 (CHEMBL4236643)	Inhibition of N-terminal His-tagged BRD4 (BD1) (unknown origin) using biotinylated tetra-acetylated histone H4 peptide after 1 hr by alpha-screen assay
50002866	1	ChEMBL_1779685 (CHEMBL4236677)	Inhibition of IDO1 (unknown origin) assessed as reduction in N'-formlylkynurenine formation using D-Tryptophan as substrate in presence of aspartate and methylene blue
50002866	2	ChEMBL_1779688 (CHEMBL4236680)	Inhibition of recombinant TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-Tryptophan as substrate after 75 mins by UV absorption method
50002866	3	ChEMBL_1779693 (CHEMBL4236685)	Inhibition of IFN-gamma-stimulated IDO1 in human HeLa cells after 24 hrs by Ehrlich's reagent based assay
50002868	1	ChEMBL_1779694 (CHEMBL4236686)	Inhibition of Bid-BH3 peptide binding to Bcl-2 (unknown origin) after 3 hrs by fluorescence polarization method
50002868	2	ChEMBL_1779696 (CHEMBL4236688)	Inhibition of Bid-BH3 peptide binding to Mcl-1 (unknown origin) after 3 hrs by fluorescence polarization method
50002869	1	ChEMBL_1779721 (CHEMBL4236713)	Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins followed by agonist addition by Fuo-4-AM based spectrofluorimetry
50002869	2	ChEMBL_1779722 (CHEMBL4236714)	Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins followed by agonist addition by Fuo-4-AM based spectrofluorimetry
50002869	3	ChEMBL_1779720 (CHEMBL4236712)	Agonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as induction of Ca2+ levels by Fuo-4-AM based spectrofluorimetry
50002870	1	ChEMBL_1779732 (CHEMBL4236724)	Antagonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated for 30 mins followed by agonist stimulation for 10 mins by Western blot analysis
50002870	2	ChEMBL_1779729 (CHEMBL4236721)	Agonist activity at human dopamine D2 receptor expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition by GloSensor-based assay
50002870	3	ChEMBL_1779731 (CHEMBL4236723)	Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated for 30 mins followed by agonist stimulation for 10 mins by Western blot analysis
50002870	4	ChEMBL_1779726 (CHEMBL4236718)	Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes co-expressing mGluR5a (unknown origin) after 1 hr by liquid scintillation counting
50002870	5	ChEMBL_1779725 (CHEMBL4236717)	Displacement of [3H]-Raclopride from recombinant human dopamine D2 receptor expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting
50002870	6	ChEMBL_1779730 (CHEMBL4236722)	Agonist activity at human dopamine D2 receptor /mGluR5a (unknown origin) expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition by GloSensor-based assay
50002870	7	ChEMBL_1779727 (CHEMBL4236719)	Displacement of [3H]MPEP from recombinant mGluR5 (unknown origin) expressed in HEK293T cell membranes after 1 hr by liquid scintillation counting
50002870	8	ChEMBL_1779728 (CHEMBL4236720)	Displacement of [3H]MPEP from recombinant mGluR5a (unknown origin) expressed in HEK293T cell membranes co-expressing human dopamine D2 receptor after 1 hr by liquid scintillation counting
50002873	1	ChEMBL_1779747 (CHEMBL4236739)	Inhibition of recombinant human furin expressed in S2 insect cells using pyroGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate after 1 hr by spectrofluorometry
50002873	2	ChEMBL_1779735 (CHEMBL4236727)	Inhibition of recombinant human PACE4 expressed in S2 insect cells using pyroGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate after 1 hr by spectrofluorometry
50002874	1	ChEMBL_1779749 (CHEMBL4236741)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by Ellman's method
50002874	2	ChEMBL_1779750 (CHEMBL4236742)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by Ellman's method
50002874	3	ChEMBL_1779756 (CHEMBL4236748)	Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by Lineweaver-Burk plot analysis
50002875	1	ChEMBL_1779767 (CHEMBL4236759)	Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60 to 90 mins by caliper assay
50002875	2	ChEMBL_1779769 (CHEMBL4236761)	Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assay
50002875	3	ChEMBL_1779768 (CHEMBL4236760)	Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate after 60 mins by caliper assay
50002875	4	ChEMBL_1779812 (CHEMBL4236804)	Inhibition of recombinant human full length His-tagged JNK2 expressed in baculovirus expression system by Z'-LYTE assay
50002875	5	ChEMBL_1779813 (CHEMBL4236805)	Inhibition of recombinant human full length N-terminal GST-tagged JNK3 expressed in baculovirus expression system by Z'-LYTE assay
50002875	6	ChEMBL_1779814 (CHEMBL4236806)	Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system by Z'-LYTE assay
50002875	7	ChEMBL_1779811 (CHEMBL4236803)	Inhibition of recombinant human full length His-tagged JNK1 expressed in baculovirus expression system by Z'-LYTE assay
50002876	1	ChEMBL_1779824 (CHEMBL4236816)	Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50002876	2	ChEMBL_1779822 (CHEMBL4236814)	Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay
50002876	3	ChEMBL_1779841 (CHEMBL4236833)	Synergistic agonist activity at human PPARgamma LBD assessed as biotin-labeled PGC1alpha (130 to 154 residues) co-activator recruitment after 1 hr in presence of 1 uM rosiglitazone by TR-FRET assay
50002876	4	ChEMBL_1779840 (CHEMBL4236832)	Synergistic agonist activity at human PPARgamma LBD assessed as biotin-labeled PGC1alpha (130 to 154 residues) co-activator recruitment after 1 hr in presence of 0.37 uM rosiglitazone by TR-FRET assay
50002876	5	ChEMBL_1779842 (CHEMBL4236834)	Synergistic agonist activity at human PPARgamma LBD assessed as biotin-labeled PGC1alpha (130 to 154 residues) co-activator recruitment after 1 hr in presence of 10 uM rosiglitazone by TR-FRET assay
50002877	1	ChEMBL_1779886 (CHEMBL4236878)	Inhibition of human NMT1 using [3H]-myristoyl-coA/biotinylated CAP5.5 as substrate after 15 mins by scintillation proximity assay
50002877	2	ChEMBL_1779901 (CHEMBL4236893)	Inhibition of human ERG by patch clamp assay
50002878	1	ChEMBL_1779913 (CHEMBL4236905)	Inhibition of human ERG expressed in HEK293 cells by Barracuda automated patch clamp assay
50002878	2	ChEMBL_1779914 (CHEMBL4236906)	Inhibition of human ERG expressed in HEK293 cells by Q-patch assay
50002878	3	ChEMBL_1779909 (CHEMBL4236901)	Antagonist activity at human integrin alphaVbeta5 expressed in human K562 cells assessed as reduction in cell adhesion to vitronectin after 30 mins by BCECF-AM-fluorescence based assay
50002878	4	ChEMBL_1779910 (CHEMBL4236902)	Antagonist activity at human integrin alphaVbeta3 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay
50002878	5	ChEMBL_1779908 (CHEMBL4236900)	Antagonist activity at human integrin alphaVbeta1 expressed in human A549 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay
50002878	6	ChEMBL_1779912 (CHEMBL4236904)	Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay
50002878	7	ChEMBL_1779907 (CHEMBL4236899)	Antagonist activity at human integrin alphaVbeta6 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay
50002878	8	ChEMBL_1779911 (CHEMBL4236903)	Antagonist activity at human integrin alphaVbeta8 expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP after 30 mins by BCECF-AM-fluorescence based assay
50002878	9	ChEMBL_1779923 (CHEMBL4236915)	Binding affinity to human integrin alphaVbeta3 by liquid scintillation counting
50002878	10	ChEMBL_1779935 (CHEMBL4236927)	Induction of integrin alphaVbeta6 receptor internalization in human primary human lung epithelial cells
50002878	11	ChEMBL_1779924 (CHEMBL4236916)	Binding affinity to human integrin alphaVbeta5 by after 2 hrs liquid scintillation counting
50002878	12	ChEMBL_1779921 (CHEMBL4236913)	Binding affinity to human integrin alphaVbeta6 after 24 hrs by liquid scintillation counting
50002878	13	ChEMBL_1779926 (CHEMBL4236918)	Binding affinity to human integrin alpha5beta1 after 6 hrs by liquid scintillation counting
50002878	14	ChEMBL_1779934 (CHEMBL4236926)	Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting
50002878	15	ChEMBL_1780002 (CHEMBL4236994)	Antagonist activity at human integrin alphaVbeta6 in lung tissue slices derived from IPF patient assessed as reduction in SMAD2 phosphorylation
50002878	16	ChEMBL_1779922 (CHEMBL4236914)	Binding affinity to human integrin alphaVbeta1 after 6 hrs by liquid scintillation counting
50002878	17	ChEMBL_1779925 (CHEMBL4236917)	Binding affinity to human integrin alphaVbeta8 after 2 hrs by liquid scintillation counting
50002878	18	ChEMBL_1779927 (CHEMBL4236919)	Binding affinity to human integrin alpha8beta1 by liquid scintillation counting
50002879	1	ChEMBL_1780007 (CHEMBL4236999)	Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of biotinylated triacetylated histone H4 peptide by alexa fluor 488-dye based TR-FRET assay
50002879	2	ChEMBL_1780008 (CHEMBL4237000)	Inhibition of 6His-tagged Thr-BRD4 (BD1) (1 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins in presence of biotinylated triacetylated histone H4 peptide by alexa fluor 647 dyse based TR-FRET assay
50002880	1	ChEMBL_1780154 (CHEMBL4237146)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV after 60 secs by patch clamp assay
50002880	2	ChEMBL_1780156 (CHEMBL4237148)	Inhibition of CYP2C9 (unknown origin)
50002880	3	ChEMBL_1780084 (CHEMBL4237076)	Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of RANTES-induced calcium flux preincubated for 10 mins followed by RANTES addition by fluo-4AM-based fluorescence assay
50002880	4	ChEMBL_1780158 (CHEMBL4237150)	Inhibition of CYP2D6 (unknown origin)
50002880	5	ChEMBL_1780155 (CHEMBL4237147)	Inhibition of CYP1A2 (unknown origin)
50002880	6	ChEMBL_1780160 (CHEMBL4237152)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50002880	7	ChEMBL_1780157 (CHEMBL4237149)	Inhibition of CYP2C19 (unknown origin)
50002880	8	ChEMBL_1780159 (CHEMBL4237151)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50002881	1	ChEMBL_1780205 (CHEMBL4237197)	Positive allosteric modulation of human M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002881	2	ChEMBL_1780193 (CHEMBL4237185)	Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002881	3	ChEMBL_1780192 (CHEMBL4237184)	Agonist activity at rat M1 receptor expressed in CHO cells assessed as increase in calcium mobilization measured after 2.5 mins by Fluo-4-AM dye based assay
50002881	4	ChEMBL_1780191 (CHEMBL4237183)	Positive allosteric modulation of rat M1 receptor expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002881	5	ChEMBL_1780208 (CHEMBL4237200)	Positive allosteric modulation of human M5 receptor expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002881	6	ChEMBL_1780194 (CHEMBL4237186)	Agonist activity at human M1 receptor expressed in CHO cells assessed as increase in calcium mobilization measured after 2.5 mins by Fluo-4-AM dye based assay
50002881	7	ChEMBL_1780207 (CHEMBL4237199)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002881	8	ChEMBL_1780206 (CHEMBL4237198)	Positive allosteric modulation of human M3 receptor expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization pretreated for 2.5 mins followed by acetylcholine addition and measured after 1 min by Fluo-4-AM dye based assay
50002883	1	ChEMBL_1780211 (CHEMBL4237203)	Activation of SOS1 in human HeLa cells assessed as increase in RAS-GTP levels after 30 mins by pull-down assay
50002884	1	ChEMBL_1780482 (CHEMBL4251999)	Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293T cells assessed as increase in glycine-induced chloride ion flux measured for 4 mins by FLIPR assay
50002884	2	ChEMBL_1780504 (CHEMBL4252021)	Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293T cells assessed as increase in glycine-induced chloride ion flux measured for 4 mins in presence of GlyRs inhibitor strychnine by FLIPR assay
50002884	3	ChEMBL_1780500 (CHEMBL4252017)	Positive allosteric modulation of human GlyRalpha1beta assessed as increase in glycine-induced chloride ion flux by FLIPR assay
50002884	4	ChEMBL_1780501 (CHEMBL4252018)	Binding affinity to human GlyRalpha3cryst by SPR method
50002884	5	ChEMBL_1780503 (CHEMBL4252020)	Potentiation of human GABAA alpha1beta2gamma2 receptor
50002884	6	ChEMBL_1780502 (CHEMBL4252019)	Potentiation of human 5-HT3A receptor
50002886	1	ChEMBL_1780506 (CHEMBL4252023)	Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method
50002886	2	ChEMBL_1780507 (CHEMBL4252024)	Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting method
50002886	3	ChEMBL_1780509 (CHEMBL4252026)	Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50002886	4	ChEMBL_1780508 (CHEMBL4252025)	Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50002886	5	ChEMBL_1780505 (CHEMBL4252022)	Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method
50002887	1	ChEMBL_1780513 (CHEMBL4252030)	Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by dinitrosalicylic acid color reagent based assay
50002889	1	ChEMBL_1780580 (CHEMBL4252097)	Inhibition of recombinant His-tagged and SUMO-tagged Trypanosoma alternative oxidase expressed in Escherichia coli Rosetta2 using 1-ubiquinol as substrate measured over 6 mins by spectrophotometric method
50002889	2	ChEMBL_1780579 (CHEMBL4252096)	Inhibition of Trypanosoma brucei alternative oxidase expressed in Escherichia coli FN102 using ubiquinol-1 as substrate preincubated for 2 mins followed by substrate addition by spectrophotometric method
50002890	1	ChEMBL_1780624 (CHEMBL4252141)	Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr
50002890	2	ChEMBL_1780618 (CHEMBL4252135)	Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrs
50002890	3	ChEMBL_1780623 (CHEMBL4252140)	Displacement of [3H]-diprenorphine from rat mu-opioid receptor in expressed in rat C6 cell membranes after 1 hr
50002890	4	ChEMBL_1780620 (CHEMBL4252137)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs
50002890	5	ChEMBL_1780619 (CHEMBL4252136)	Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrs
50002890	6	ChEMBL_1780617 (CHEMBL4252134)	Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS
50002890	7	ChEMBL_1780615 (CHEMBL4252132)	Displacement of [3H]DPDPE from delta-opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method
50002890	8	ChEMBL_1780613 (CHEMBL4252130)	Displacement of [3H]CI-977 from kappa opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method
50002890	9	ChEMBL_1780610 (CHEMBL4252127)	Antagonist activity at kappa opioid receptor (unknown origin)
50002890	10	ChEMBL_1780608 (CHEMBL4252125)	Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS
50002890	11	ChEMBL_1780607 (CHEMBL4252124)	Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS
50002890	12	ChEMBL_1780614 (CHEMBL4252131)	Displacement of [3H]DAMGO from mu-opioid receptor in guinea pig brain membranes after 30 mins by scintillation counting method
50002890	13	ChEMBL_1780609 (CHEMBL4252126)	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS
50002891	1	ChEMBL_1780644 (CHEMBL4252161)	Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) neuraminidase using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002891	2	ChEMBL_1780643 (CHEMBL4252160)	Inhibition of Influenza A virus A/Anhui/1/2013(H7N9) neuraminidase 150 cavity at 10 uM using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 30 mins by fluorescence assay relative to control
50002891	3	ChEMBL_1780642 (CHEMBL4252159)	Inhibition of Influenza A virus A/California/04/2009(H1N1) neuraminidase H274Y mutant using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002891	4	ChEMBL_1780640 (CHEMBL4252157)	Inhibition of Influenza A virus A/California/04/2009(H1N1) neuraminidase using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002891	5	ChEMBL_1780641 (CHEMBL4252158)	Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) neuraminidase H274Y mutant using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition measured after 30 mins by fluorescence assay
50002892	1	ChEMBL_1780729 (CHEMBL4252246)	Antagonist activity at P2X7R in Swiss Webster mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake preincubated for 10 mins followed by ATP induction measured after 25 mins by fluorescence assay
50002892	2	ChEMBL_1780734 (CHEMBL4252251)	Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10 mins followed by ATP induction measured after 25 mins by fluorescence assay
50002893	1	ChEMBL_1780751 (CHEMBL4252268)	Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell microsomes using PGH2 as substrate assessed as reduction in PGE2 production preincubated for 15 mins followed by substrate addition and measured after 1 min by RP-HPLC analysis
50002893	2	ChEMBL_1780754 (CHEMBL4252271)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by UPLC-MS/MS analysis
50002894	1	ChEMBL_1780771 (CHEMBL4252288)	Inhibition of human topoisomerase 2beta after 2 hrs at 37 degC by ELISA
50002894	2	ChEMBL_1780772 (CHEMBL4252289)	Inhibition of human VEGFR2 after 2 hrs by ELISA
50002895	1	ChEMBL_1780780 (CHEMBL4252297)	Inhibition of DENV3 NS5 RdRp using ss-RNA PolyC as template and GTP as substrate assessed as decrease in dsRNA levels after 1 hr by PicoGreen-based fluorescence assay
50002895	2	ChEMBL_1780798 (CHEMBL4252315)	Inhibition of DENV3 full length NS5 RdRp assessed as decrease in dsRNA levels preincubated for 20 mins followed by ss-RNA and ATTO-CTP, ATP, GTP and UTP addition measured after 120 mins by FAPA assay
50002895	3	ChEMBL_1780783 (CHEMBL4252300)	Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of ss-RNA PolyC as template assessed as free enzyme after 1 hr in presence of GTP substrate by Lineweaver-Burk double reciprocal plot analysis
50002895	4	ChEMBL_1780787 (CHEMBL4252304)	Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of GTP as substrate assessed as free enzyme after 1 hr in presence of ss-RNA PolyC template by Lineweaver-Burk double reciprocal plot analysis
50002895	5	ChEMBL_1780788 (CHEMBL4252305)	Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of GTP as substrate assessed as enzyme-substrate complex after 1 hr in presence of ss-RNA PolyC template by Lineweaver-Burk double reciprocal plot analysis
50002895	6	ChEMBL_1780784 (CHEMBL4252301)	Mixed type inhibition of DENV3 NS5 RdRp using increasing concentration of ss-RNA PolyC as template assessed as enzyme-substrate complex after 1 hr in presence of GTP substrate by Lineweaver-Burk double reciprocal plot analysis
50002895	7	ChEMBL_1780789 (CHEMBL4252306)	Binding affinity to DENV3 NT-647-NHS labeled NS5 RdRp after 1 hr by microscale thermophoresis method
50002896	1	ChEMBL_1780799 (CHEMBL4252316)	Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay
50002896	2	ChEMBL_1780800 (CHEMBL4252317)	Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay
50002898	1	ChEMBL_1780864 (CHEMBL4252381)	Inhibition of HDAC1 in human HeLa-S3 cell lysates preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 40 mins by fluorimetric method
50002898	2	ChEMBL_1780865 (CHEMBL4252382)	Inhibition of HDAC2 in human HeLa-S3 cell lysates preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 40 mins by fluorimetric method
50002898	3	ChEMBL_1780867 (CHEMBL4252384)	Inhibition of HDAC6 in human HeLa-S3 cell lysates preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 40 mins by fluorimetric method
50002898	4	ChEMBL_1780868 (CHEMBL4252385)	Inhibition of human recombinant full-length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cell preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 mins by fluorimetric method
50002898	5	ChEMBL_1780833 (CHEMBL4252350)	Inhibition of HDAC in human HeLa-S3 cell lysates preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 35 mins by fluorimetric method
50002898	6	ChEMBL_1780866 (CHEMBL4252383)	Inhibition of HDAC3 in human HeLa-S3 cell lysates preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 40 mins by fluorimetric method
50002900	1	ChEMBL_1781004 (CHEMBL4252521)	Inhibition of wild type alpha-synuclein (unknown origin) aggregation expressed in Escherichia coli BL21 after 30 days by thioflavin T staining-based spectrofluorimetric analysis
50002901	1	ChEMBL_1781050 (CHEMBL4252567)	Inhibition of HDAC2 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay
50002901	2	ChEMBL_1781051 (CHEMBL4252568)	Inhibition of HDAC4 (unknown origin) using fluorogenic substrate after 1 to 2 hrs by fluorescence assay
50002901	3	ChEMBL_1781049 (CHEMBL4252566)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay
50002901	4	ChEMBL_1781052 (CHEMBL4252569)	Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay
50002901	5	ChEMBL_1781053 (CHEMBL4252570)	Inhibition of HDAC10 (unknown origin) using RHKK(Ac)AMC as substrate after 1 to 2 hrs by fluorescence assay
50002902	1	ChEMBL_1781376 (CHEMBL4252893)	Inhibition of EGFR (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50002902	2	ChEMBL_1781377 (CHEMBL4252894)	Inhibition of cKIT (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50002902	3	ChEMBL_1781372 (CHEMBL4252889)	Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis
50002902	4	ChEMBL_1781375 (CHEMBL4252892)	Inhibition of VEGFR2 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50002902	5	ChEMBL_1781374 (CHEMBL4252891)	Inhibition of PDGFRbeta (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50002902	6	ChEMBL_1781373 (CHEMBL4252890)	Inhibition of Flt-3 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay
50002903	1	ChEMBL_1781395 (CHEMBL4252912)	Inhibition of human recombinant HDAC2 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002903	2	ChEMBL_1781396 (CHEMBL4252913)	Inhibition of human recombinant HDAC6 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002903	3	ChEMBL_1781393 (CHEMBL4252910)	Inhibition of HDAC in human HeLa cell extract using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002903	4	ChEMBL_1781394 (CHEMBL4252911)	Inhibition of human recombinant HDAC1 using Fluor de Lys-Green as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50002904	1	ChEMBL_1781423 (CHEMBL4252940)	Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence polarization assay
50002904	2	ChEMBL_1781444 (CHEMBL4252961)	Inhibition of CYP3A in human pooled human liver microsomes using midazolam as substrate assessed as midazolam 1'-hydroxylation preincubated for 5 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50002904	3	ChEMBL_1781442 (CHEMBL4252959)	Inhibition of CYP2C19 in human pooled human liver microsomes using omeprazole as substrate assessed as omepraozle hydroxylation preincubated for 5 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50002904	4	ChEMBL_1781426 (CHEMBL4252943)	Binding affinity to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) by surface plasmon resonance assay
50002904	5	ChEMBL_1781443 (CHEMBL4252960)	Inhibition of CYP2D6 in human pooled human liver microsomes using dextromethorphan as substrate assessed as dextromethorphan O-demethylation preincubated for 5 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50002904	6	ChEMBL_1781440 (CHEMBL4252957)	Inhibition of CYP2C9 in human pooled human liver microsomes using tolbutamide as substrate assessed as tolbutamide 4-methylhydroxylation preincubated for 5 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50002904	7	ChEMBL_1781441 (CHEMBL4252958)	Inhibition of CYP1A2 in human pooled human liver microsomes using phenacetin as substrate assessed as phenacetin O-demethylation preincubated for 5 mins followed by NADPH addition measured after 15 mins by LC-MS/MS analysis
50002905	1	ChEMBL_1781455 (CHEMBL4252972)	Inhibition of C-terminal His-tagged and N-terminal GST tagged human EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using KHKKLAEGSAYEEV substrate peptide and gamma-[32P]ATP
50002906	1	ChEMBL_1781479 (CHEMBL4252996)	Inhibition of ovine COX2 using arachidonic acid as substrate assessed as reduction in PGF2alpha production preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme immunoassay
50002906	2	ChEMBL_1781482 (CHEMBL4252999)	Binding affinity to estrogen receptor (unknown origin)
50002906	3	ChEMBL_1781487 (CHEMBL4253004)	Displacement of [3H]E2 from human recombinant ERalpha assessed as receptor binding after 45 mins by scintillation counting method
50002906	4	ChEMBL_1781490 (CHEMBL4253007)	Inhibition of estrogen receptor (unknown origin)
50002907	1	ChEMBL_1781508 (CHEMBL4253025)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by UV-VIS spectrophotometric analysis
50002909	1	ChEMBL_1781510 (CHEMBL4253027)	Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPTLC analysis
50002909	2	ChEMBL_1781518 (CHEMBL4253035)	Inhibition of human 11beta-HSD1 expressed in HEK293 cell lysate using [1,2-3H]-cortisone as substrate preincubated for 10 mins followed by substrate addition in presence of NADPH by scintillation counting
50002911	1	ChEMBL_1781528 (CHEMBL4253045)	Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*1501 mutant allele after 2 hrs by TMB + substrate-chromogen based assay
50002911	2	ChEMBL_1781529 (CHEMBL4253046)	Inhibition of biotin-labeled MBP (85 to 99 residues) binding to HLA class 2 DRB1*0101 mutant allele after 2 hrs by TMB + substrate-chromogen based assay
50002912	1	ChEMBL_1781839 (CHEMBL4253356)	Inhibition of Streptococcus agalactiae WB1445 FabK in presence of t-O-NAC and NADH up to 1 min by spectrophotometric analysis
50002913	1	ChEMBL_1781843 (CHEMBL4253360)	Agonist activity at recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay
50002913	2	ChEMBL_1781840 (CHEMBL4253357)	Displacement of [3H]CP-55,940 from recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount method
50002913	3	ChEMBL_1781841 (CHEMBL4253358)	Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method
50002913	4	ChEMBL_1781842 (CHEMBL4253359)	Agonist activity at recombinant human full length CB1 receptor expressed in HEK293 cell membranes after 2 hrs by [35S]GTP-gammaS binding assay
50002914	1	ChEMBL_1781873 (CHEMBL4253390)	Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay
50002914	2	ChEMBL_1781872 (CHEMBL4253389)	Inhibition of CDK4/Cyclin-D1 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay
50002914	3	ChEMBL_1781871 (CHEMBL4253388)	Inhibition of CDK6/Cyclin-D3 (unknown origin) using histoneH1 as substrate after 90 mins by ADP-Glo assay
50002914	4	ChEMBL_1781885 (CHEMBL4253402)	Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 residues) expressed in baculovirus expression system using ULight-JAK-1 peptide as substrate preincubated for 15 mins followed by ATP addition measured after 90 mins
50002914	5	ChEMBL_1781887 (CHEMBL4253404)	Inhibition of CDK2/Cyclin-E1 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay
50002914	6	ChEMBL_1781886 (CHEMBL4253403)	Inhibition of recombinant human GST-tagged NIK expressed in baculovirus expression system using ser/thr-7 as substrate preincubated for 15 mins followed by ATP addition measured after 60 mins
50002915	1	ChEMBL_1782148 (CHEMBL4253665)	Inhibition of thymidine phosphorylase (unknown origin) using thymidine as substrate after 1 hr by spectrophotometric analysis
50002915	2	ChEMBL_1782147 (CHEMBL4253664)	Inhibition of human placental thymidine phosphorylase using [6-3H]dThd as substrate after 5 mins by scintillation counting analysis
50002916	1	ChEMBL_1782155 (CHEMBL4253672)	Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H3K4me2 substrate addition measured after 60 mins by amplex red reagent based HRP enzyme coupled fluorescence assay
50002916	2	ChEMBL_1782158 (CHEMBL4253675)	Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by MAO-Glo assay
50002916	3	ChEMBL_1782167 (CHEMBL4253684)	Inhibition of LSD1 (unknown origin)
50002916	4	ChEMBL_1782160 (CHEMBL4253677)	Inhibition of MAO-B (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by MAO-Glo assay
50002917	1	ChEMBL_1782194 (CHEMBL4253711)	Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by luminescence assay
50002917	2	ChEMBL_1782193 (CHEMBL4253710)	Inhibition of human TNAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by luminescence assay
50002918	1	ChEMBL_1782291 (CHEMBL4253808)	Antagonist activity at adenosine A2A receptor (unknown origin)
50002918	2	ChEMBL_1782293 (CHEMBL4253810)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as inhibition of CGS241680-induced [35S]GTPgammaS binding preincubated for 10 mins followed by CGS241680 addition by TopCount scintillation counting method
50002918	3	ChEMBL_1782292 (CHEMBL4253809)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 1 hr by TopCount microplate scintillation counting method
50002918	4	ChEMBL_1782290 (CHEMBL4253807)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method
50002918	5	ChEMBL_1782302 (CHEMBL4253819)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes
50002919	1	ChEMBL_1782348 (CHEMBL4253865)	Inhibition of human cathepsin K
50002919	2	ChEMBL_1782365 (CHEMBL4253882)	Reversible competitive inhibition of human cathepsin K using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity preincubated for 30 mins followed by substrate addition
50002919	3	ChEMBL_1782366 (CHEMBL4253883)	Reversible competitive inhibition of human cathepsin L using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity preincubated for 30 mins followed by substrate addition
50002919	4	ChEMBL_1782363 (CHEMBL4253880)	Reversible competitive inhibition of human cathepsin S using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity at pH 5.5 preincubated for 30 mins followed by substrate addition
50002919	5	ChEMBL_1782364 (CHEMBL4253881)	Reversible competitive inhibition of human cathepsin S using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity at pH 7.4 preincubated for 30 mins followed by substrate addition
50002919	6	ChEMBL_1782367 (CHEMBL4253884)	Reversible competitive inhibition of human cathepsin H using fluorogenic AMC-derived peptide substrate assessed as reduction in residual activity preincubated for 30 mins followed by substrate addition
50002920	1	ChEMBL_1782399 (CHEMBL4253916)	Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50002920	2	ChEMBL_1782403 (CHEMBL4253920)	Inhibition of LYP (unknown origin) using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50002920	3	ChEMBL_1782400 (CHEMBL4253917)	Inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50002920	4	ChEMBL_1782401 (CHEMBL4253918)	Inhibition of human PTP1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50002920	5	ChEMBL_1782424 (CHEMBL4253941)	Binding affinity to Mycobacterium tuberculosis PtpB by ITC method
50002920	6	ChEMBL_1782423 (CHEMBL4253940)	Binding affinity to Mycobacterium tuberculosis PtpB by fluorescence based assay
50002920	7	ChEMBL_1782414 (CHEMBL4253931)	Binding affinity to Mycobacterium tuberculosis PtpB by UV-VIS spectrophotometric analysis
50002920	8	ChEMBL_1782409 (CHEMBL4253926)	Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by Michaelis-Menten plot analysis
50002920	9	ChEMBL_1782405 (CHEMBL4253922)	Inhibition of PTP-PEST (unknown origin) using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50002920	10	ChEMBL_1782411 (CHEMBL4253928)	Non-competitive inhibition of human PTP1B using p-nitrophenyl phosphate as substrate up to 7 uM preincubated for 10 mins followed by substrate addition measured every minute for 10 mins by Michaelis-Menten plot analysis
50002921	1	ChEMBL_1782445 (CHEMBL4253962)	Inhibition of human recombinant PTPRZ1 using pNPP as substrate by fluorescence spectrometric analysis
50002921	2	ChEMBL_1782446 (CHEMBL4253963)	Inhibition of human recombinant PTP1B using pNPP as substrate by fluorescence spectrometric analysis
50002921	3	ChEMBL_1782443 (CHEMBL4253960)	Inhibition of PTPRZ1 (unknown origin) using pNPP as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by spectrophotometric analysis
50002922	1	ChEMBL_1782454 (CHEMBL4253971)	Inhibition of recombinant human C-terminal His/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using biotin-labeled poly[Glu:Tyr] (4:1) as substrate after 30 mins by Kinase-Glo plus luminescence assay
50002922	2	ChEMBL_1782455 (CHEMBL4253972)	Inhibition of EGFR (unknown origin)
50002923	1	ChEMBL_1782540 (CHEMBL4254057)	Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes in presence of (+)-pentazocine by radioligand binding assay
50002923	2	ChEMBL_1782539 (CHEMBL4254056)	Inhibition of human MDR1 expressed in MDCK-MDR1 cells assessed as calcein cell accumulation after 30 mins by spectrofluorimetry
50002924	1	ChEMBL_1782647 (CHEMBL4254164)	Inhibition of HDAC8 (unknown origin)
50002924	2	ChEMBL_1782646 (CHEMBL4254163)	Inhibition of HDAC6 (unknown origin)
50002924	3	ChEMBL_1782644 (CHEMBL4254161)	Inhibition of HDAC1 (unknown origin)
50002924	4	ChEMBL_1782645 (CHEMBL4254162)	Inhibition of HDAC3 (unknown origin)
50002925	1	ChEMBL_1782678 (CHEMBL4254195)	Inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins by capillary electrophoresis method
50002925	2	ChEMBL_1782682 (CHEMBL4254199)	Inhibition of CK2 (unknown origin)
50002925	3	ChEMBL_1782681 (CHEMBL4254198)	ATP-competitive inhibition of human CK2-alpha/beta expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD peptide as substrate after 15 mins in presence of varying levels of ATP by capillary electrophoresis method
50002926	1	ChEMBL_1782721 (CHEMBL4254238)	Inhibition of full length human PLK1 using casein as substrate after 40 mins in presence of [gamma-33P]-ATP by radiometric assay
50002926	2	ChEMBL_1782722 (CHEMBL4254239)	Inhibition of GST-tagged EEF2K (unknown origin) using biotinylated EEF2 peptide substrate by HTRF assay
50002927	1	ChEMBL_1782946 (CHEMBL4254463)	Inhibition of human FLAG-tagged HDAC1 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay
50002927	2	ChEMBL_1782947 (CHEMBL4254464)	Inhibition of FLAG-tagged HDAC2 (unknown origin) expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay
50002927	3	ChEMBL_1782948 (CHEMBL4254465)	Inhibition of human FLAG-tagged HDAC3 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection based assay
50002928	1	ChEMBL_1782963 (CHEMBL4254480)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha production using arachidonic acid as substrate by colorimetric method
50002928	2	ChEMBL_1782964 (CHEMBL4254481)	Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate by colorimetric method
50002928	3	ChEMBL_1782962 (CHEMBL4254479)	Inhibition of CHK1 (unknown origin)
50002929	1	ChEMBL_1783006 (CHEMBL4254523)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes incubated for 120 mins measured for 5 mins by scintillation counting method
50002929	2	ChEMBL_1783003 (CHEMBL4254520)	Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes
50002929	3	ChEMBL_1783002 (CHEMBL4254519)	Displacement of [3H]Ifenprodil from GluN2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins measured for 5 mins by scintillation counting method
50002929	4	ChEMBL_1783007 (CHEMBL4254524)	Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes incubated for 120 mins measured for 5 mins by scintillation counting method
50002930	1	ChEMBL_1783026 (CHEMBL4254543)	Inhibition of [3H]serotonin reuptake in rat brain synaptosomes SERT after 15 mins by TopCount scintillation counting method
50002930	2	ChEMBL_1783028 (CHEMBL4254545)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by TopCount scintillation counting method
50002930	3	ChEMBL_1783030 (CHEMBL4254547)	Displacement of [3H]LSD from recombinant human 5-HT7 receptor expressed in CHO cell membranes after 120 mins by TopCount scintillation counting method
50002930	4	ChEMBL_1783042 (CHEMBL4254559)	Displacement of [3H]prazosin from alpha1-adrenoceptor (unknown origin) in cerebral cortex membranes after 60 mins by TopCount scintillation counting method
50002930	5	ChEMBL_1783078 (CHEMBL4254595)	Inhibition of serotonin reuptake in SERT (unknown origin)
50002930	6	ChEMBL_1783077 (CHEMBL4254594)	Binding affinity to 5-HT1A receptor (unknown origin)
50002930	7	ChEMBL_1783037 (CHEMBL4254554)	Inhibition of human ERG expressed in CHO-K1 cells assessed as reduction in tail current amplitude at -80 mV holding potential after 2 mins by path clamp assay
50002931	1	ChEMBL_1783259 (CHEMBL4254776)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	2	ChEMBL_1783257 (CHEMBL4254774)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	3	ChEMBL_1783262 (CHEMBL4254779)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	4	ChEMBL_1783263 (CHEMBL4254780)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase H275Y mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	5	ChEMBL_1783264 (CHEMBL4254781)	Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	6	ChEMBL_1783265 (CHEMBL4254782)	Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase H275Y mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	7	ChEMBL_1783266 (CHEMBL4254783)	Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	8	ChEMBL_1783267 (CHEMBL4254784)	Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase E119A mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	9	ChEMBL_1783268 (CHEMBL4254785)	Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase R292K mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002931	10	ChEMBL_1783270 (CHEMBL4254787)	Inhibition of Influenza A virus (A/Shanghai/01/2014(H7N9)) recombinant neuraminidase R292K mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry
50002932	1	ChEMBL_1783284 (CHEMBL4254801)	Antagonist activity at dopamine D2 receptor (unknown origin) after 60 mins by Ultra lance cAMP assay
50002932	2	ChEMBL_1783285 (CHEMBL4254802)	Agonist activity at 5-HT1A receptor (unknown origin) after 60 mins by Ultra lance cAMP assay
50002932	3	ChEMBL_1783286 (CHEMBL4254803)	Antagonist activity at 5-HT2A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50002932	4	ChEMBL_1783288 (CHEMBL4254805)	Antagonist activity at histamine H1 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50002932	5	ChEMBL_1783283 (CHEMBL4254800)	Agonist activity at 5HT1A receptor (unknown origin)
50002932	6	ChEMBL_1783289 (CHEMBL4254806)	Antagonist activity at adrenergic alpha1A receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50002932	7	ChEMBL_1783290 (CHEMBL4254807)	Antagonist activity at M3 receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50002932	8	ChEMBL_1783291 (CHEMBL4254808)	Inhibition of human ERG by auomated patch clamp assay
50002932	9	ChEMBL_1783287 (CHEMBL4254804)	Antagonist activity at 5-HT2C receptor (unknown origin) after 10 mins by calcium 5 dye based FLIPR assay
50002933	1	ChEMBL_1783410 (CHEMBL4254927)	Inhibition of FLT3 (unknown origin)
50002933	2	ChEMBL_1783402 (CHEMBL4254919)	Inhibition of c-Met (unknown origin) using FAM-labeled peptide substrate after 10 mins by mobility shift assay
50002933	3	ChEMBL_1783408 (CHEMBL4254925)	Inhibition of VEGFR2 (unknown origin)
50002933	4	ChEMBL_1783409 (CHEMBL4254926)	Inhibition of EGFR (unknown origin)
50002934	1	ChEMBL_1783424 (CHEMBL4254941)	Inhibition of recombinant human PARP2 using histone as substrate after 1.5 hr in presence of NAD+ by ELISA
50002934	2	ChEMBL_1783423 (CHEMBL4254940)	Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of NAD+ by ELISA
50002934	3	ChEMBL_1783428 (CHEMBL4254945)	Binding affinity to PARP1 (unknown origin) by ITC
50002935	1	ChEMBL_1783504 (CHEMBL4255021)	Inhibition of recombinant human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 mins by Ellman's method
50002935	2	ChEMBL_1783503 (CHEMBL4255020)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 mins by Ellman's method
50002936	1	ChEMBL_1783529 (CHEMBL4255046)	Inhibition of human ERG by [3H]dofetilide binding displacement assay
50002937	1	ChEMBL_1783550 (CHEMBL4255067)	Inhibition of human 20S constitutive proteasome beta-1 using Z-LLE-betaNA as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002937	2	ChEMBL_1783546 (CHEMBL4255063)	Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002937	3	ChEMBL_1783551 (CHEMBL4255068)	Inhibition of human 20S immunoproteasome beta-1 using Ac-PAL-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002937	4	ChEMBL_1783555 (CHEMBL4255072)	Inhibition of human 20S immunoproteasome beta-2 using BocLRR-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002937	5	ChEMBL_1783547 (CHEMBL4255064)	Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002937	6	ChEMBL_1783554 (CHEMBL4255071)	Inhibition of human 20S constitutive proteasome beta-2 using BocLRR-AMC as substrate incubated for 15 mins measured for 45 mins by fluorescence assay
50002938	1	ChEMBL_1783577 (CHEMBL4255094)	Inhibition of recombinant full length human GST-tagged ASK1 expressed in baculovirus expression system using STK3 peptide substrate preincubated for 15 mins followed by substrate addition measured after 90 mins in presence of 1 mM ATP by HTRF assay
50002938	2	ChEMBL_1783580 (CHEMBL4255097)	Inhibition of recombinant full length human ASK1 expressed in HEK293/AP1-Luc cells assessed as reduction in p38 phosphorylation after 18 hrs by HTRF assay
50002939	1	ChEMBL_1783628 (CHEMBL4255145)	Inhibition of recombinant full length human N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	2	ChEMBL_1783630 (CHEMBL4255147)	Inhibition of recombinant human N-terminal GST-tagged PDE3B (592-end residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	3	ChEMBL_1783632 (CHEMBL4255149)	Inhibition of recombinant human N-terminal GST-tagged PDE4A4 (2 to 886 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	4	ChEMBL_1783635 (CHEMBL4255152)	Inhibition of recombinant human N-terminal GST-tagged PDE4D7 (2 to 748 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	5	ChEMBL_1783631 (CHEMBL4255148)	Inhibition of PDE11A (unknown origin) using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	6	ChEMBL_1783633 (CHEMBL4255150)	Inhibition of recombinant human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	7	ChEMBL_1783629 (CHEMBL4255146)	Inhibition of recombinant full length human N-terminal GST-tagged PDE4A1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002939	8	ChEMBL_1783634 (CHEMBL4255151)	Inhibition of recombinant human full length N-terminal GST-tagged PDE4C1 expressed in baculovirus infected Sf9 cells using cAMP as substrate after 1 hr by LANCE TR-FRET assay
50002941	1	ChEMBL_1783752 (CHEMBL4255269)	Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB2 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation counting method
50002941	2	ChEMBL_1783754 (CHEMBL4255271)	Displacement of [3H]CP55,940 from human CB2 receptor
50002941	3	ChEMBL_1783756 (CHEMBL4255273)	Displacement of [3H]CP55,940 from N-terminal HA-tagged human CB1 receptor expressed in HEK293 cell membranes after 1 hr by microbeta scintillation counting method
50002941	4	ChEMBL_1783755 (CHEMBL4255272)	Displacement of [3H]CP55,940 from human CB1 receptor
50002941	5	ChEMBL_1783758 (CHEMBL4255275)	Agonist activity at N-terminal HA-tagged human CB2 receptor expressed in HEK293 cells transfected with YFP-Epac-RLuc assessed as decrease in forskolin-stimulated cAMP level by BRET assay
50002941	6	ChEMBL_1783759 (CHEMBL4255276)	Inverse agonist activity at N-terminal HA-tagged human CB2 receptor expressed in HEK293 cells transfected with YFP-Epac-RLuc assessed as increase in forskolin-stimulated cAMP level by BRET assay
50002941	7	ChEMBL_1783764 (CHEMBL4255281)	Agonist activity at N-terminal HA-tagged human CB1 receptor expressed in HEK293 cells transfected with YFP-Epac-RLuc assessed as decrease in forskolin-stimulated cAMP level by BRET assay
50002941	8	ChEMBL_1783749 (CHEMBL4255266)	Inverse agonist activity at human CB2 receptor
50002941	9	ChEMBL_1783750 (CHEMBL4255267)	Inverse agonist activity at human CB1 receptor
50002942	1	ChEMBL_1783833 (CHEMBL4255350)	Inhibition of human HDAC8 using RHK(Ac)K(Ac)AMC as substrate
50002942	2	ChEMBL_1783831 (CHEMBL4255348)	Inhibition of HDAC in human cell lysates using fluoro-substrate peptide/fluoro-deacetylated peptide as substrate incubated for 20 mins measured at 1 to 2 mins interval for 30 to 60 mins by fluorescence assay
50002942	3	ChEMBL_1783832 (CHEMBL4255349)	Inhibition of human HDAC6 using RHKK(Ac)AMC as substrate
50002943	1	ChEMBL_1783847 (CHEMBL4255364)	Inhibition of human GSK-3beta using peptide substrate
50002944	1	ChEMBL_1783861 (CHEMBL4255378)	Inhibition of mouse TRPC6 expressed in HEK293 cells assessed as reduction in M085-induced intracellular calcium flux pretreated for 5 mins followed by M085 addition measured after 300 secs by Fluo-8AM dye based FLIPR assay
50002946	1	ChEMBL_1784000 (CHEMBL4255517)	Agonist activity at human beta2-AR expressed in CHOK1 cells co-expressing Galpha15 measured after 21 secs to 120 secs by Calcium-4 dye based FLIPR assay
50002947	1	ChEMBL_1784103 (CHEMBL4255620)	Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells at -60 mV holding potential measured after 600 secs by patch clamp method
50002947	2	ChEMBL_1784105 (CHEMBL4255622)	Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells at -40 mV holding potential measured after 600 secs by patch clamp method
50002947	3	ChEMBL_1784104 (CHEMBL4255621)	Displacement of [3H]-labelled radioligand from human Nav1.7 expressed in HEK293 cells measured after 24 hrs by liquid scintillation counting method
50002950	1	ChEMBL_1784106 (CHEMBL4255623)	Positive allosteric modulation of human alpha 7 nAChR expressed in HEK cells co-expressing human RIC3 assessed as increase in acetylcholine-induced channel current at holding potential of -60 mV incubated for 58 secs followed by acetylcholine treatment for 1 sec by patch clamp electrophysiology assay
50002953	1	ChEMBL_1784109 (CHEMBL4255626)	Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay
50002953	2	ChEMBL_1784108 (CHEMBL4255625)	Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis
50002953	3	ChEMBL_1784110 (CHEMBL4255627)	Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay
50002953	4	ChEMBL_1784111 (CHEMBL4255628)	Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay
50002956	1	ChEMBL_1784115 (CHEMBL4255632)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by Ellman's method
50002956	2	ChEMBL_1784113 (CHEMBL4255630)	Inhibition of recombinant human full length N-terminal GST-tagged GSK-3beta expressed in Sf9 insect cells using prephosphorylated polypeptide as substrate after 30 mins by kinase-Glo reagent based luminescence assay
50002956	3	ChEMBL_1784116 (CHEMBL4255633)	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50002956	4	ChEMBL_1784114 (CHEMBL4255631)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by Ellman's method
50002957	1	ChEMBL_1784189 (CHEMBL4255706)	Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration
50002957	2	ChEMBL_1784206 (CHEMBL4255723)	Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage clamp assay
50002957	3	ChEMBL_1784214 (CHEMBL4255731)	Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant expressed in Xenopus laevis oocytes at pH 5.5 by two-electrode voltage clamp assay
50002957	4	ChEMBL_1784201 (CHEMBL4255718)	Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at pH 5.5 after 2 mins by two-electrode voltage clamp assay
50002957	5	ChEMBL_1784190 (CHEMBL4255707)	Binding affinity to Influenza A virus A/Udorn/72 M2 proton channel S31N mutant by isothermal calorimetric titration
50002957	6	ChEMBL_1784202 (CHEMBL4255719)	Inhibition of Influenza A virus A/Udorn/72 wild-type M2 proton channel expressed in Xenopus laevis oocytes assessed as blockade of inward currents at pH 5.5 after 5 mins by two-electrode voltage clamp assay
50002958	1	ChEMBL_1784221 (CHEMBL4255738)	Inhibition of human JNK1a1 FAM-EGFR-derived peptide as substrate by IMAP assay
50002958	2	ChEMBL_1784220 (CHEMBL4255737)	Inhibition of human p38alpha using FAM-p38tide as substrate by IMAP assay
50002959	1	ChEMBL_1784238 (CHEMBL4255755)	Inhibition of FGFR4 (388 to 802 residues) (unknown origin) using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 as substrate after 60 mins by microfluidic mobility shift assay
50002959	2	ChEMBL_1784239 (CHEMBL4255756)	Inhibition of TEL-fused FGFR4 cytoplasmic/juxta membrane domain (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in FGFR4 autophosphorylation after 1 hr by ELISA
50002959	3	ChEMBL_1784242 (CHEMBL4255759)	Displacement of PRO-128 from recombinant human N-terminal GST/His6-tagged FGFR4 (391 to 802 residues) expressed in baculovirus infected Sf9 insect cells
50002960	1	ChEMBL_1784251 (CHEMBL4255768)	Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay
50002961	1	ChEMBL_1784282 (CHEMBL4255799)	Displacement of 125I-[Tyr3]-NT from human NTS1 receptor expressed in CHO-K1 cell membranes after 60 mins by gamma-counting method
50002961	2	ChEMBL_1784284 (CHEMBL4255801)	Agonist activity at GFP10-tagged human NTS1 expressed in CHO-K1 cells assessed as Rluc2-fused beta-arrestin2 recruitment after 20 mins by BRET assay
50002961	3	ChEMBL_1784283 (CHEMBL4255800)	Agonist activity at Galphaq-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cells assessed as Galphaq activation after 5 mins by BRET assay
50002962	1	ChEMBL_1784286 (CHEMBL4255803)	Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50002962	2	ChEMBL_1784288 (CHEMBL4255805)	Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50002962	3	ChEMBL_1784291 (CHEMBL4255808)	Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50002962	4	ChEMBL_1784289 (CHEMBL4255806)	Inhibition of CrtN in linezolid-resistant Staphylococcus aureus NRS271 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50002962	5	ChEMBL_1784287 (CHEMBL4255804)	Inhibition of Staphylococcus aureus Newman Hi6-tagged CrtN expressed in Escherichia coli BL21(DE3))/pET28a::CrtN assessed as reduction in staphyloxanthin levels using diapophytoene as substrate after overnight incubation
50002962	6	ChEMBL_1784292 (CHEMBL4255809)	Inhibition of recombinant human ERG expressed in CHO cells at -80 mV holding potential measured after 3 minutes by automated whole cell patch clamp Qpatch method
50002962	7	ChEMBL_1784290 (CHEMBL4255807)	Inhibition of CrtN in methicillin-resistant Staphylococcus aureus USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pigment inhibition assay
50002964	1	ChEMBL_1784330 (CHEMBL4255847)	Inhibition of USP7 (unknown origin) by biochemical assay
50002964	2	ChEMBL_1784333 (CHEMBL4255850)	Binding affinity to recombinant human N-terminal His6-tagged USP7 catalytic domain (213 to 548 residues) expressed in baculovirus infected Sf21 insect cells after 60 secs by SPR analysis
50002964	3	ChEMBL_1784337 (CHEMBL4255854)	Inhibition of USP7 in human HCT116 cells using ubiquitin-propargylamine probe as substrate incubated for 2 hrs followed by substrate addition measured after 30 mins by Western blot based densitometric analysis
50002965	1	ChEMBL_1784393 (CHEMBL4255910)	Inhibition of STAT3 DNA binding activity in mouse NIH/3T3 nuclear extract preincubated for 30 mins followed by [32P]hSIE addition measured after 30 mins by electrophoretic mobility shift assay
50002966	1	ChEMBL_1784427 (CHEMBL4255944)	Inhibition of mTOR in human MCF7 cells assessed as reduction in P70S6K phosphorylation after 4 hrs by ADP-Glo assay
50002966	2	ChEMBL_1784426 (CHEMBL4255943)	Inhibition of PI3Kalpha in human MCF7 cells assessed as reduction in AKT phosphorylation after 4 hrs by ADP-Glo assay
50002966	3	ChEMBL_1784430 (CHEMBL4255947)	Inhibition of human PI3K p110delta/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate after 30 mins by HTRF assay
50002966	4	ChEMBL_1784432 (CHEMBL4255949)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1(Thr37/46) peptide as substrate measured after 2 hrs by HTRF assay
50002966	5	ChEMBL_1784429 (CHEMBL4255946)	Inhibition of human PI3K p110beta/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate after 30 mins by HTRF assay
50002966	6	ChEMBL_1784428 (CHEMBL4255945)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay
50002966	7	ChEMBL_1784431 (CHEMBL4255948)	Inhibition of human PI3K p120gamma using phosphatidylinositol 4,5-bisphosphate as substrate after 30 mins by HTRF assay
50002968	1	ChEMBL_1784449 (CHEMBL4255966)	Inhibition of human His6-tagged BRD4 BD1 (N44 to E168 residues) expressed in Escherichia coli BL21 (DE3) cells using H-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK-Biotin-OH as substrate after 2.5 hrs by AlphaScreen assay
50002968	2	ChEMBL_1784450 (CHEMBL4255967)	Binding affinity to human His6-tagged BRD4 BD1 (N44 to E168 residues) expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry method
50002969	1	ChEMBL_1784518 (CHEMBL4256035)	Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using substrate after 90 mins by colorimetric method
50002969	2	ChEMBL_1784519 (CHEMBL4256036)	Inhibition of full length human recombinant C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using substrate after 90 mins by colorimetric method
50002970	1	ChEMBL_1784526 (CHEMBL4256043)	Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins
50002970	2	ChEMBL_1784531 (CHEMBL4256048)	Inhibition of porcine pancreatic lipase
50002970	3	ChEMBL_1784532 (CHEMBL4256049)	Inhibition of porcine pancreatic lipase using triolein as substrate measured after 10 mins
50002971	1	ChEMBL_1784570 (CHEMBL4256087)	Inhibition of Aquifex aeolicus MraY expressed in Escherichia coli C41(DE3) using Park's nucleotide as substrate pretreated for 30 mins followed by substrate addition measured up to 2 mins by fluorescence assay
50002971	2	ChEMBL_1784569 (CHEMBL4256086)	Inhibition of Staphylococcus aureus MraY expressed in Escherichia coli membrane using Park's nucleotide as substrate pretreated for 30 mins followed by substrate addition measured up to 2 mins by fluorescence assay
50002971	3	ChEMBL_1784576 (CHEMBL4256093)	Inhibition of Mycobacterium tuberculosis H37Rv MraY expressed in Mycobacterium smegmatis using Park's nucleotide-N-epsilon-C6-dansyl as substrate measured after 1 hr by RP-HPLC method
50002973	1	ChEMBL_1784578 (CHEMBL4256095)	Inhibition of PKCalpha (unknown origin) by HTRF assay
50002973	2	ChEMBL_1784579 (CHEMBL4256096)	Inhibition of ROCK2 (unknown origin) by HTRF assay
50002973	3	ChEMBL_1784580 (CHEMBL4256097)	Inhibition of ASK1 (unknown origin) by HTRF assay
50002974	1	ChEMBL_1784613 (CHEMBL4256130)	Inhibition of SYK (unknown origin) by mobility shift assay
50002974	2	ChEMBL_1784616 (CHEMBL4256133)	Inhibition of JAK3 (unknown origin) by mobility shift assay
50002974	3	ChEMBL_1784611 (CHEMBL4256128)	Inhibition of BRAF (unknown origin) by Lanthascreen assay
50002974	4	ChEMBL_1784612 (CHEMBL4256129)	Inhibition of PKCdelta (unknown origin) by mobility shift assay
50002974	5	ChEMBL_1784610 (CHEMBL4256127)	Inhibition of FAK (unknown origin) by Lanthascreen assay
50002974	6	ChEMBL_1784617 (CHEMBL4256134)	Inhibition of ZAP70 (unknown origin) by mobility shift assay
50002974	7	ChEMBL_1784620 (CHEMBL4256137)	Inhibition of GSK3b (unknown origin) by mobility shift assay
50002974	8	ChEMBL_1784621 (CHEMBL4256138)	Inhibition of PIM1 (unknown origin) by mobility shift assay
50002974	9	ChEMBL_1784622 (CHEMBL4256139)	Inhibition of PDK1 (unknown origin) by mobility shift assay
50002974	10	ChEMBL_1784618 (CHEMBL4256135)	Inhibition of SRC (unknown origin) by mobility shift assay
50002974	11	ChEMBL_1784615 (CHEMBL4256132)	Inhibition of ALK (unknown origin) by mobility shift assay
50002974	12	ChEMBL_1784619 (CHEMBL4256136)	Inhibition of AKT1 (unknown origin) by mobility shift assay
50002975	1	ChEMBL_1784656 (CHEMBL4256173)	Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced calcium influx preincubated for 5 mins followed by (+/-)-epibatidine addition measured for 78 secs by Fluo-4-AM dye based FLIPR assay
50002975	2	ChEMBL_1784657 (CHEMBL4256174)	Antagonist activity at human alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced calcium influx preincubated for 5 mins followed by (+/-)-epibatidine addition measured for 78 secs by Fluo-4-AM dye based FLIPR assay
50002975	3	ChEMBL_1784658 (CHEMBL4256175)	Antagonist activity at human alpha7 nAChR expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced calcium influx preincubated for 5 mins followed by (+/-)-epibatidine addition measured for 78 secs by Fluo-4-AM dye based FLIPR assay
50002976	1	ChEMBL_1784662 (CHEMBL4256179)	Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay
50002976	2	ChEMBL_1784660 (CHEMBL4256177)	Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treated for 96 hrs followed by substrate addition by spectrophotometric method
50002977	1	ChEMBL_1784698 (CHEMBL4256215)	Inhibition of porcine pancreatic lipase using p-NPB as substrate pretreated for 15 mins followed by substrate addition measured after 15 mins by spectrophometric method
50002978	1	ChEMBL_1784703 (CHEMBL4256220)	Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay
50002979	1	ChEMBL_1784705 (CHEMBL4256222)	Inhibition of ATR in human HT29 cells assessed as reduction in Chk1 phosphorylation at Ser345 residues after 4 hrs by Alexa Fluor 488 staining based fluorescence assay
50002979	2	ChEMBL_1784704 (CHEMBL4256221)	Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 mins followed by substrate addition measured after 25 to 35 mins by TR-FRET assay
50002979	3	ChEMBL_1784706 (CHEMBL4256223)	Inhibition of ATR in human U2OS cells harboring ER-LBD fused TopBPI activation domain (978 to 1286 residues) assessed as reduction in 4-OHT-mediated nuclear translocation of TopBPI fragment by measuring gammaH2AX level after 24 hrs by Alexa Fluor 488 staining based fluorescence assay
50002980	1	ChEMBL_1784708 (CHEMBL4256225)	Agonist activity at FXR (unknown origin) by mammalian one hybrid assay
50002980	2	ChEMBL_1784707 (CHEMBL4256224)	Agonist activity at FXR (unknown origin) by FRET assay
50002981	1	ChEMBL_1784709 (CHEMBL4256226)	Antagonist activity at TLR7 in HEK cells assessed as decrease in R848-induced NF-kappaB activation incubated for 30 mins followed by R848 addition measured after 5 hrs by steady-Glo reagent based assay
50002983	1	ChEMBL_1784730 (CHEMBL4256247)	Inhibition of IDH1 R132H mutant in human Neurospheres assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis
50002983	2	ChEMBL_1784715 (CHEMBL4256232)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis
50002983	3	ChEMBL_1784714 (CHEMBL4256231)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	4	ChEMBL_1784723 (CHEMBL4256240)	Inhibition of IDH1 R132L mutant (unknown origin)
50002983	5	ChEMBL_1784732 (CHEMBL4256249)	Inhibition of IDH1 R132S mutant in human HCCC-9810 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis
50002983	6	ChEMBL_1784729 (CHEMBL4256246)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87MG cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis
50002983	7	ChEMBL_1784728 (CHEMBL4256245)	Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	8	ChEMBL_1784726 (CHEMBL4256243)	Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	9	ChEMBL_1784725 (CHEMBL4256242)	Inhibition of wild type IDH1 (unknown origin) using DL-isocitrate as substrate after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	10	ChEMBL_1784724 (CHEMBL4256241)	Inhibition of IDH1 R132S mutant (unknown origin)
50002983	11	ChEMBL_1784721 (CHEMBL4256238)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	12	ChEMBL_1784731 (CHEMBL4256248)	Inhibition of IDH1 R132C mutant in human COR-L105 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysis
50002983	13	ChEMBL_1784727 (CHEMBL4256244)	Inhibition of wild type IDH1/IDH1 R132H mutant heterodimer (unknown origin) after 16 hrs in presence of NADPH by diaphorase/resazurin coupled fluorescence assay
50002983	14	ChEMBL_1784722 (CHEMBL4256239)	Inhibition of IDH1 R132G mutant (unknown origin)
50002984	1	ChEMBL_1784792 (CHEMBL4256309)	Inhibition of recombinant human full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assay
50002984	2	ChEMBL_1784811 (CHEMBL4256328)	Inhibition of HDAC2 (unknown origin) using substrate 3 after 30 mins by fluorescence assay
50002984	3	ChEMBL_1784793 (CHEMBL4256310)	Inhibition of recombinant human GST-tagged IDO1 (1 to 404 residues) using D-Tryptophan as substrate
50002984	4	ChEMBL_1784807 (CHEMBL4256324)	Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs
50002984	5	ChEMBL_1784812 (CHEMBL4256329)	Inhibition of HDAC3 (unknown origin) using substrate 3 after 30 mins by fluorescence assay
50002984	6	ChEMBL_1784813 (CHEMBL4256330)	Inhibition of HDAC6 (unknown origin) using substrate 3 after 30 mins by fluorescence assay
50002985	1	ChEMBL_1784838 (CHEMBL4256355)	Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli harboring gor mutant assessed as suppression of DTNB reduction incubated for 1 hr in presence of DTNB measured every 5 mins for 1 hr
50002985	2	ChEMBL_1784836 (CHEMBL4256353)	Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli harboring gor mutant assessed as suppression of insulin reduction using Trx as substrate pretreated for 30 mins followed by Trx addition for 30 mins and subsequent eosin-labelled bovine insulin addition measured every 5 mins for 1 hr by fluorescence assay
50002985	3	ChEMBL_1784837 (CHEMBL4256354)	Inhibition of NADPH-reduced recombinant rat TrxR1 expressed in Escherichia coli harboring gor mutant assessed as suppression of DTNB reduction pretreated for 1 hr followed by DTNB addition measured every 5 mins for 1 hr
50002988	1	ChEMBL_1784874 (CHEMBL4256391)	Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as decrease in biotin-dUTP incorporation using DIG-labeled dUTP/biotin-labeled dUTP and dTTP as template and viral nucleotides after 1 hr by ELISA
50002989	1	ChEMBL_1784906 (CHEMBL4256423)	Inhibition of human leukocyte elastase
50002991	1	ChEMBL_1784955 (CHEMBL4256472)	Inhibition of wild-type HIV1 reverse transcriptase infected in human MT4 cells assessed as reduction in biotin-dUTP incorporation
50002991	2	ChEMBL_1784956 (CHEMBL4256473)	Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	3	ChEMBL_1784957 (CHEMBL4256474)	Inhibition of HIV1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	4	ChEMBL_1784959 (CHEMBL4256476)	Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	5	ChEMBL_1784961 (CHEMBL4256478)	Inhibition of HIV1 RES056 reverse transcriptase F227L/V106A double mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	6	ChEMBL_1784950 (CHEMBL4256467)	Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	7	ChEMBL_1784951 (CHEMBL4256468)	Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	8	ChEMBL_1784958 (CHEMBL4256475)	Inhibition of HIV1 reverse transcriptase L100I mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002991	9	ChEMBL_1784960 (CHEMBL4256477)	Inhibition of HIV1 reverse transcriptase Y188L mutant infected in human MT4 cells assessed as protection against virus-induced cytotoxicity by MTT assay
50002992	1	ChEMBL_1784992 (CHEMBL4256509)	Inhibition of MK2 in anisomycin-stimulated human THP1 cells assessed as reduction in hsp27 phosphorylation at Ser78 by FACS analysis
50002992	2	ChEMBL_1784991 (CHEMBL4256508)	Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by TR-FRET assay
50002993	2	ChEMBL_1785005 (CHEMBL4256522)	Displacement of [3H]epibatidine from alpha7 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting method
50002993	3	ChEMBL_1785004 (CHEMBL4256521)	Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting method
50002993	4	ChEMBL_1785018 (CHEMBL4256535)	Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method
50002993	6	ChEMBL_1785003 (CHEMBL4256520)	Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting method
50002993	7	ChEMBL_1785020 (CHEMBL4256537)	Agonist activity at rat alpha7 nAChR expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method
50002993	8	ChEMBL_1785022 (CHEMBL4256539)	Agonist activity at rat 5HT3A expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method
50002993	9	ChEMBL_1785016 (CHEMBL4256533)	Agonist activity at rat alpha3beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method
50002994	1	ChEMBL_1785043 (CHEMBL4256560)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method
50002994	2	ChEMBL_1785044 (CHEMBL4256561)	Inhibition of AChE (unknown origin)
50002995	1	ChEMBL_1785045 (CHEMBL4256562)	Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycycline-induced NICD expression after 12 hrs by Bright-Glo luciferase reporter gene assay
50002996	1	ChEMBL_1785074 (CHEMBL4256591)	Inhibition of inactivated state of recombinant human NaV1.5 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential by PX automated voltage clamp method
50002996	2	ChEMBL_1785066 (CHEMBL4256583)	Inhibition of inactivated state of recombinant human NaV1.7 Y1537A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	3	ChEMBL_1785063 (CHEMBL4256580)	Displacement of [3H]GX-545 from recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit after 18 hrs by liquid scintillation counting method
50002996	4	ChEMBL_1785087 (CHEMBL4256604)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 30 mins by LC-MS/MS method
50002996	5	ChEMBL_1785069 (CHEMBL4256586)	Inhibition of inactivated state of recombinant human NaV1.7 R1608A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	6	ChEMBL_1785075 (CHEMBL4256592)	Inhibition of inactivated state of recombinant human NaV1.6 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -35 mV holding potential by QPatch-HT/Qube384 automated voltage clamp method
50002996	7	ChEMBL_1785073 (CHEMBL4256590)	Inhibition of inactivated state of recombinant human NaV1.2 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -35 mV holding potential by PX automated voltage clamp method
50002996	8	ChEMBL_1785072 (CHEMBL4256589)	Inhibition of inactivated state of recombinant human NaV1.1 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -40 mV holding potential by PX automated voltage clamp method
50002996	9	ChEMBL_1785068 (CHEMBL4256585)	Inhibition of inactivated state of recombinant human NaV1.7 R1605A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	10	ChEMBL_1785067 (CHEMBL4256584)	Inhibition of inactivated state of recombinant human NaV1.7 R1602A mutant expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	11	ChEMBL_1785065 (CHEMBL4256582)	Inhibition of inactivated state of recombinant wild type human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	12	ChEMBL_1785061 (CHEMBL4256578)	Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 cell membranes coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude at -60 mV holding potential by PX automated voltage clamp method
50002996	13	ChEMBL_1785086 (CHEMBL4256603)	Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate after 30 mins by LC-MS/MS method
50002996	14	ChEMBL_1785088 (CHEMBL4256605)	Inhibition of CYP2C9 in human liver microsomes using warfarin as substrate after 30 mins by LC-MS/MS method
50002996	15	ChEMBL_1785089 (CHEMBL4256606)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 30 mins by LC-MS/MS method
50002996	16	ChEMBL_1785099 (CHEMBL4256616)	Inhibition of inactivated state of mouse NaV1.7 assessed as decrease in sodium current amplitude at -60 mV holding potential after 20 mins by Qube384 automated voltage clamp method
50002996	17	ChEMBL_1785122 (CHEMBL4256639)	Inhibition of full length human NaV1.5 expressed in HEK293 cells coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude by PatchXpress automated voltage clamp method
50002996	18	ChEMBL_1785121 (CHEMBL4256638)	Inhibition of full length human NaV1.7 expressed in HEK293 cells coexpressing Nav beta1 subunit assessed as decrease in sodium current amplitude by PatchXpress automated voltage clamp method
50002997	1	ChEMBL_1785126 (CHEMBL4256643)	Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end residues)/His-tagged INCENP (803 to 918 end residues) expressed in baculovirus expression system using fluorescence-labeled FL-Peptide 21 as substrate after 60 mins in presence of ATP by fluorescence assay based Cheng-Prusoff equation analysis
50002997	2	ChEMBL_1785125 (CHEMBL4256642)	Inhibition of full length N-terminal His-tagged Aurora A (unknown origin) using fluorescence-labeled FL-Peptide 21 as substrate after 60 mins in presence of ATP by fluorescence assay based Cheng-Prusoff equation analysis
50002997	3	ChEMBL_1785124 (CHEMBL4256641)	Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assay based Cheng-Prusoff equation analysis
50002998	1	ChEMBL_1785219 (CHEMBL4256736)	Resurrection of methylphosphonate-aged electric eel AChE assessed as enzyme reactivation using acetylthiocholine as substrate at pH 9 after 1 day by Ellman's assay relative to control
50002998	2	ChEMBL_1785222 (CHEMBL4256739)	Resurrection of isopropyl phosphate-aged electric eel AChE assessed as enzyme reactivation using acetylthiocholine as substrate at pH 9 after 1 day by Ellman's assay relative to control
50003002	1	ChEMBL_1785235 (CHEMBL4256752)	Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction in LPS-stimulated IL-1beta levels pre-incubated with LPS for 4.5 hrs followed by incubation for 30 mins in presence of ATP and measured after 30 mins by ELISA
50003002	2	ChEMBL_1785236 (CHEMBL4256753)	Inhibition of NLRP3 in mouse BMDM assessed as reduction in LPS-stimulated IL-1beta levels pre-incubated with LPS for 4.5 hrs followed by incubation for 30 mins in presence of ATP and measured after 30 mins by ELISA
50003003	1	ChEMBL_1785242 (CHEMBL4256759)	Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay
50003003	2	ChEMBL_1785244 (CHEMBL4256761)	Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrofluorimetry
50003003	3	ChEMBL_1785252 (CHEMBL4256769)	Inhibition of human sEH in human HepG2 cells using (+/-)14(15)-EET-d11 as substrate assessed as formation of (+/-)14(15)-DHET-d11 preincubated for 15 mins followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50003005	1	ChEMBL_1785269 (CHEMBL4256786)	Inhibition of TEV cleavage site-fused-GST tagged BRD4(BD1) (unknown origin) using SGRGK(Ac)CGK(Ac)-GLGK(Ac)GGAK(Ac)RHRKVG-peptide after 3 hrs by HTRF assay
50003005	2	ChEMBL_1785270 (CHEMBL4256787)	Binding affinity to TEV cleavage site-fused-His-tagged BRD4(BD1) (unknown origin) by isothermal-titration calorimetry
50003006	1	ChEMBL_1785272 (CHEMBL4256789)	Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) in presence of 10mer-Thr-FAM peptide by TR-FRET assay
50003006	2	ChEMBL_1785273 (CHEMBL4256790)	Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) in presence of FITC-MLL peptide by FPA assay
50003006	3	ChEMBL_1785274 (CHEMBL4256791)	Inhibition of human WDR5 (22 to 334 residues) assessed as reduction in WRAD-mediated human MLL1 ( 3745 to 3969 residues) H3K4 methylation using human HeLa cells oligonucleosomes as substrate and 3H-SAM as methylation cofactor by radioisotope-based filter-binding assay
50003007	1	ChEMBL_1785280 (CHEMBL4256797)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-dye based fluorimetric assay
50003007	2	ChEMBL_1785284 (CHEMBL4256801)	Antagonist activity at TRPM8 (unknown origin) assessed as reduction in menthol-induced calcium influx
50003007	3	ChEMBL_1785283 (CHEMBL4256800)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method
50003008	1	ChEMBL_1785297 (CHEMBL4256814)	Displacement of AVPIAQKSEK-biotin from cIAP1 BIR3 (unknown origin) after 1 hr by DELFIA
50003008	2	ChEMBL_1785298 (CHEMBL4256815)	Displacement of AVPIAQKSEK-biotin from cIAP2 BIR3 (unknown origin) after 1 hr by DELFIA
50003008	3	ChEMBL_1785295 (CHEMBL4256812)	Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isothermal titration calorimetric analysis
50003008	4	ChEMBL_1785296 (CHEMBL4256813)	Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold after 1 hr by DELFIA
50003008	5	ChEMBL_1785302 (CHEMBL4256819)	Displacement of AVPIAQKSEK-biotin from XIAP BIR3 Lys322A mutant (unknown origin) after 1 hr by DELFIA
50003008	6	ChEMBL_1785301 (CHEMBL4256818)	Displacement of AVPIAQKSEK-biotin from XIAP BIR3 Lys311E mutant (unknown origin) after 1 hr by DELFIA
50003009	1	ChEMBL_1785324 (CHEMBL4256841)	Inhibition of human CA1 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydrase assay
50003009	2	ChEMBL_1785325 (CHEMBL4256842)	Inhibition of human CA2 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydrase assay
50003009	3	ChEMBL_1785326 (CHEMBL4256843)	Inhibition of human CA9 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydrase assay
50003009	4	ChEMBL_1785327 (CHEMBL4256844)	Inhibition of human CA12 assessed as enzyme inhibitor complex formation preincubated for 15 mins and measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydrase assay
50003010	1	ChEMBL_1785336 (CHEMBL4256853)	Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins followed by 5-oxo-ETE addition measured after 1 min by fluorescence assay
50003010	2	ChEMBL_1785337 (CHEMBL4256854)	Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins followed by 5-oxo-ETE addition by fluorescence assay
50003011	1	ChEMBL_1788588 (CHEMBL4260322)	Inhibition of Pseudomonas aeruginosa PqsD
50003011	2	ChEMBL_1788567 (CHEMBL4260301)	Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain
50003011	3	ChEMBL_1788565 (CHEMBL4260299)	Inhibition of recombinant Pseudomonas aeruginosa PqsA assessed as decrease in formation of anthranilyl-CoA by spectrophotometric method
50003011	4	ChEMBL_1788586 (CHEMBL4260320)	Inhibition of recombinant Pseudomonas aeruginosa PqsD expressed in Escherichia coli using anthraniloyl-CoA as substrate assessed as decrease in HHQ production
50003011	5	ChEMBL_1788569 (CHEMBL4260303)	Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL after 1.5 hrs by beta-galactosidase reporter gene assay
50003011	6	ChEMBL_1788568 (CHEMBL4260302)	Antagonist activity at GFP-fused LasR in Pseudomonas aeruginosa PAO-JP2 co-expressing LVAgfp plasmid by fluorescence assay
50003011	7	ChEMBL_1788570 (CHEMBL4260304)	Antagonist activity at Pseudomonas aeruginosa MW1 LasR assessed as inhibition of protein interaction with OdDHL by beta-galactosidase reporter gene assay
50003011	8	ChEMBL_1788578 (CHEMBL4260312)	Inhibition of Pseudomonas aeruginosa GFP-fused RhlR expressed in Escherichia coli BL21-Gold (DE3) co-expressing rhlA promoter by beta-galactosidase reporter gene assay
50003011	9	ChEMBL_1788596 (CHEMBL4260330)	Inhibition of RhlR in Pseudomonas aeruginosa reporter strain harboring gfp-rhlA
50003011	10	ChEMBL_1788595 (CHEMBL4260329)	Inhibition of LasR in Pseudomonas aeruginosa reporter strain harboring gfp-lasB
50003011	11	ChEMBL_1788585 (CHEMBL4260319)	Antagonist activity at Pseudomonas aeruginosa PqsD
50003011	12	ChEMBL_1788574 (CHEMBL4260308)	Inhibition of LasR in Pseudomonas aeruginosa harboring GFP-fused quorum sensing lasB measured every 15 mins up to 12 hrs by GFP reporter gene assay
50003011	13	ChEMBL_1788576 (CHEMBL4260310)	Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of ONPG-induced receptor activation after 4 hrs by Miller-type beta-galactosidase reporter gene assay
50003011	14	ChEMBL_1788587 (CHEMBL4260321)	Binding affinity to recombinant Pseudomonas aeruginosa PqsD at 298 K by ITC assay
50003011	15	ChEMBL_1788573 (CHEMBL4260307)	Antagonist activity at LasR in Pseudomonas aeruginosa PAO1 harboring GFP-fused quorum sensing lasB measured every 15 mins for 14 hrs by GFP reporter gene assay
50003012	1	ChEMBL_1788606 (CHEMBL4260340)	Agonist activity at GAL4-tagged human LXRbeta LBD expressed in HEK293T cells after 12 hrs by luciferase reporter gene assay
50003012	2	ChEMBL_1788611 (CHEMBL4260345)	Antagonist activity at human LXRalpha expressed in HEK293T cells by luciferase reporter gene assay
50003012	3	ChEMBL_1788604 (CHEMBL4260338)	Agonist activity at human full length LXRbeta expressed in African green monkey CV-1 cells co-expressing human pCMX/RXRalpha after 20 hrs by luciferase reporter gene assay
50003012	4	ChEMBL_1788620 (CHEMBL4260354)	Agonist activity at human LXRbeta-LBD (196 to 461 amino acids) expressed in HEK293T cells by luciferase reporter gene assay
50003012	5	ChEMBL_1788612 (CHEMBL4260346)	Agonist activity at human LXRalpha expressed in HEK293 cells after 24 hrs by One-Glo luciferase reporter gene assay
50003012	6	ChEMBL_1788615 (CHEMBL4260349)	Inverse agonist activity at LXRalpha (unknown origin) expressed in HEK293 cells 24 hrs by Dual-Glo luciferase assay
50003012	7	ChEMBL_1788619 (CHEMBL4260353)	Agonist activity at human LXRalpha-LBD (182 to 447 amino acids) expressed in HEK293T cells by luciferase reporter gene assay
50003012	8	ChEMBL_1788614 (CHEMBL4260348)	Inverse agonist activity at LXRbeta (unknown origin) expressed in HEK293 cells 24 hrs by Dual-Glo luciferase assay
50003013	1	ChEMBL_1788623 (CHEMBL4260357)	Antagonist activity at recombinant human GHSR1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced intracellular calcium release incubated for 20 secs and measured after 2 mins by FLIPR assay
50003013	2	ChEMBL_1788624 (CHEMBL4260358)	Inverse agonist at recombinant human GHSR1a expressed in HEK293 cells assessed as decrease in IP1 accumulation after 1 hr by IP1-d2-based HTRF assay
50003013	3	ChEMBL_1788622 (CHEMBL4260356)	Agonist activity at recombinant human GHSR1a expressed in HEK293 cells assessed as induction of intracellular calcium release after 15 mins by FLIPR assay
50003013	4	ChEMBL_1788652 (CHEMBL4260386)	Inhibition of human ERG expressed in HEK293 cells by manual patch clamp assay
50003014	1	ChEMBL_1788653 (CHEMBL4260387)	Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 40) level after 24 hrs by ELISA method
50003014	2	ChEMBL_1788654 (CHEMBL4260388)	Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 42) level after 24 hrs by ELISA method
50003014	3	ChEMBL_1788673 (CHEMBL4260407)	Inhibition of recombinant human BACE1 using Mca-S-E-VeN-L-D-AEF-R-K(Dnp)-R-R-NH2 as substrate after 60 mins by fluorescence assay
50003015	1	ChEMBL_1788727 (CHEMBL4260461)	Binding affinity to HER2 extracellular domain (unknown origin) by SPR analysis
50003016	1	ChEMBL_1788745 (CHEMBL4260479)	Activation of human Kv7.2/7.3 by patch clamp method
50003016	2	ChEMBL_1788748 (CHEMBL4260482)	Activation of human Kv7.4 by patch clamp method
50003016	3	ChEMBL_1788747 (CHEMBL4260481)	Activation of human Kv7.3/7.5 by patch clamp method
50003017	1	ChEMBL_1788779 (CHEMBL4260513)	Inhibition of low frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated patch clamp assay
50003017	2	ChEMBL_1788777 (CHEMBL4260511)	Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by fluorescence based FDSS assay
50003017	3	ChEMBL_1788778 (CHEMBL4260512)	Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated patch clamp assay
50003017	4	ChEMBL_1788775 (CHEMBL4260509)	Inhibition of human ERG
50003018	1	ChEMBL_1788804 (CHEMBL4260538)	Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis
50003018	2	ChEMBL_1788860 (CHEMBL4260594)	Inhibition of ADH1B (unknown origin) assessed as reduction in NADH production by spectrophotometric analysis
50003018	3	ChEMBL_1788806 (CHEMBL4260540)	Inhibition of mouse GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis
50003018	4	ChEMBL_1788807 (CHEMBL4260541)	Inhibition of rat GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis
50003019	1	ChEMBL_1788862 (CHEMBL4260596)	Inhibition of human coagulation factor 10a using Z-D-Arg-Gly-Arg-pNA.2HCl as substrate preincubated for 15 mins followed by substrate addition by UV absorption assay
50003020	1	ChEMBL_1788926 (CHEMBL4260660)	Inhibition of MRP1 in human 2008/MRP1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in cell survival after 5 days by MTS assay
50003021	1	ChEMBL_1788951 (CHEMBL4260685)	Inhibition of EV71 3C protease expressed in Escherichia coli BL21(DE3) using NMA-IEALFQGPPK(DNP)FR as substrate preincubated for 0.5 hrs followed by substrate addition by fluorescence assay
50003022	1	ChEMBL_1788969 (CHEMBL4260703)	Reversible inhibition of recombinant human recombinant AChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric method
50003022	2	ChEMBL_1789014 (CHEMBL4260748)	Reversible inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate measured up to 2 mins by spectrophotometric method
50003022	3	ChEMBL_1788970 (CHEMBL4260704)	Reversible inhibition of human plasma BChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric method
50003022	4	ChEMBL_1789017 (CHEMBL4260751)	Reversible inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric method
50003023	1	ChEMBL_1789036 (CHEMBL4260770)	Inhibition of SAHase from rabbit erythrocytes using S-adenosyl-L-homocysteine as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by Measure-iTTM thiol quantitation reagent based assay
50003024	1	ChEMBL_1789067 (CHEMBL4260801)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells by radioligand binding assay
50003024	2	ChEMBL_1789093 (CHEMBL4260827)	Displacement of [3H]DADLE from human DOR expressed in HEK cells by radioligand binding assay
50003024	3	ChEMBL_1789099 (CHEMBL4260833)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay
50003024	4	ChEMBL_1789100 (CHEMBL4260834)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay
50003024	5	ChEMBL_1789089 (CHEMBL4260823)	Displacement of [3H]Citalopram from human SERT expressed in HEK cells by radioligand binding assay
50003024	6	ChEMBL_1789096 (CHEMBL4260830)	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay
50003024	7	ChEMBL_1789063 (CHEMBL4260797)	Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay
50003024	8	ChEMBL_1789091 (CHEMBL4260825)	Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells by radioligand binding assay
50003024	9	ChEMBL_1789068 (CHEMBL4260802)	Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cells by radioligand binding assay
50003024	10	ChEMBL_1789065 (CHEMBL4260799)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay
50003024	11	ChEMBL_1789098 (CHEMBL4260832)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay
50003024	12	ChEMBL_1789095 (CHEMBL4260829)	Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEK cells by radioligand binding assay
50003024	13	ChEMBL_1789066 (CHEMBL4260800)	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay
50003024	14	ChEMBL_1789088 (CHEMBL4260822)	Displacement of [3H]Nisoxetine from human NET expressed in HEK cells by radioligand binding assay
50003024	15	ChEMBL_1789094 (CHEMBL4260828)	Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay
50003024	16	ChEMBL_1789064 (CHEMBL4260798)	Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK293T cells by radioligand binding assay
50003024	17	ChEMBL_1789097 (CHEMBL4260831)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay
50003024	18	ChEMBL_1789052 (CHEMBL4260786)	Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in HEK293FlpIN cells by radioligand binding assay
50003024	19	ChEMBL_1789053 (CHEMBL4260787)	Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells by radioligand binding assay
50003024	20	ChEMBL_1789086 (CHEMBL4260820)	Displacement of [3H]Prazosin from human alpha 1D adrenergic receptor expressed in HEK cells by radioligand binding assay
50003024	21	ChEMBL_1789087 (CHEMBL4260821)	Displacement of [3H]Rauwolscine from human alpha 2B adrenergic receptor expressed in HEK293T cells by radioligand binding assay
50003024	22	ChEMBL_1789083 (CHEMBL4260817)	Displacement of [3H]Rauwolscine from human alpha 2C adrenergic receptor expressed in MDCK cells by radioligand binding assay
50003024	23	ChEMBL_1789084 (CHEMBL4260818)	Displacement of [3H]CGP12177 from human beta 3 adrenergic receptor expressed in HEK293FlpIN cells by radioligand binding assay
50003024	24	ChEMBL_1789092 (CHEMBL4260826)	Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay
50003024	25	ChEMBL_1789090 (CHEMBL4260824)	Displacement of [3H]WIN35428 from human DAT expressed in HEK cells by radioligand binding assay
50003025	1	ChEMBL_1789191 (CHEMBL4260925)	Displacement of [3H]-dofetilide from human ERG expressed in CHO cell membranes after 90 mins by micro-beta counting
50003026	1	ChEMBL_1789224 (CHEMBL4260958)	Agonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as induction of cAMP levels after 30 mins by HTRF assay
50003026	2	ChEMBL_1789226 (CHEMBL4260960)	Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in LTK cell membranes after 30 mins by liquid scintillation counting
50003026	3	ChEMBL_1789227 (CHEMBL4260961)	Antagonist activity at muscarinic acetylcholine receptor M1 (unknown origin)
50003026	4	ChEMBL_1789233 (CHEMBL4260967)	Agonist activity at dopamine D5 receptor (unknown origin)
50003026	5	ChEMBL_1789228 (CHEMBL4260962)	Antagonist activity at CB1 receptor (unknown origin)
50003026	6	ChEMBL_1789229 (CHEMBL4260963)	Antagonist activity at histamine H1 receptor (unknown origin)
50003026	7	ChEMBL_1789231 (CHEMBL4260965)	Inhibition of Nav1.5 (unknown origin)
50003026	8	ChEMBL_1789232 (CHEMBL4260966)	Agonist activity at dopamine D2 receptor (unknown origin)
50003026	9	ChEMBL_1789230 (CHEMBL4260964)	Inhibition of human ERG
50003027	1	ChEMBL_1789366 (CHEMBL4261100)	Binding affinity to Trypanosoma cruzi Y CYP51A expressed in Escherichia coli
50003027	2	ChEMBL_1789367 (CHEMBL4261101)	Binding affinity to Leishmania infantum CYP51 expressed in Escherichia coli
50003028	1	ChEMBL_1789430 (CHEMBL4261164)	Inhibition of DMPK (unknown origin) by ATP competition assay
50003028	2	ChEMBL_1789429 (CHEMBL4261163)	Inhibition of ROCK1 (unknown origin) by ATP competition assay
50003028	3	ChEMBL_1789428 (CHEMBL4261162)	Inhibition of ROCK2 (unknown origin) by ATP competition assay
50003029	1	ChEMBL_1789491 (CHEMBL4261225)	Inhibition of human ERG expressed in CHO-S1 cells by automated planar chip-based electrophysiology
50003029	2	ChEMBL_1789492 (CHEMBL4261226)	Inhibition of human ERG expressed in CHO-S1 cells by Qpatch clamp assay
50003030	1	ChEMBL_1789501 (CHEMBL4261235)	Inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50003030	2	ChEMBL_1789502 (CHEMBL4261236)	Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50003030	3	ChEMBL_1789500 (CHEMBL4261234)	Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50003030	4	ChEMBL_1789503 (CHEMBL4261237)	Inhibition of MBP-fused human NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50003030	5	ChEMBL_1789505 (CHEMBL4261239)	Non-competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and measured every min for 30 mins by Lineweaver-Burk plot analysis
50003030	6	ChEMBL_1789504 (CHEMBL4261238)	Competitive inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated with substrate for 15 mins and measured every min for 30 mins by Lineweaver-Burk plot analysis
50003030	7	ChEMBL_1789507 (CHEMBL4261241)	Non-competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate for 15 mins and measured every min for 30 mins by Lineweaver-Burk plot analysis
50003030	8	ChEMBL_1789506 (CHEMBL4261240)	Competitive inhibition of N-terminal MBP-fused human NEU2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated with substrate for 15 mins and measured every min for 30 mins by Lineweaver-Burk plot analysis
50003032	1	ChEMBL_1789534 (CHEMBL4261268)	Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method
50003032	2	ChEMBL_1789538 (CHEMBL4261272)	Inhibition of JAK3 in human SZ4 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation and measured after 15 mins by MSD assay
50003032	3	ChEMBL_1789535 (CHEMBL4261269)	Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method
50003032	4	ChEMBL_1789531 (CHEMBL4261265)	Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method
50003032	5	ChEMBL_1789532 (CHEMBL4261266)	Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding method
50003032	6	ChEMBL_1789540 (CHEMBL4261274)	Inhibition of JAK3 in human SZ4 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation and measured after 15 mins by Western blot analysis
50003032	7	ChEMBL_1789550 (CHEMBL4261284)	Binding affinity to DNA-tagged recombinant human FLT3 D835V mutant (592 to 969 residues) expressed in mammalian expression system by KINOMEscan assay
50003032	8	ChEMBL_1789554 (CHEMBL4261288)	Binding affinity to DNA-tagged recombinant human YSK4 (1019 to 1328 residues) expressed in mammalian expression system by KINOMEscan assay
50003032	9	ChEMBL_1789548 (CHEMBL4261282)	Binding affinity to DNA-tagged recombinant human ARK5 (25 to 332 residues) expressed in bacterial expression system by KINOMEscan assay
50003032	10	ChEMBL_1789549 (CHEMBL4261283)	Binding affinity to DNA-tagged recombinant human BIKE (34 to 329 residues) expressed in bacterial expression system by KINOMEscan assay
50003032	11	ChEMBL_1789552 (CHEMBL4261286)	Binding affinity to DNA-tagged recombinant human SNARK (22 to 333 residues) expressed in mammalian expression system by KINOMEscan assay
50003032	12	ChEMBL_1789553 (CHEMBL4261287)	Binding affinity to DNA-tagged recombinant human TRKA (475 to 790 residues) expressed in mammalian expression system by KINOMEscan assay
50003032	13	ChEMBL_1789523 (CHEMBL4261257)	Binding affinity to JAK3 (unknown origin)
50003032	14	ChEMBL_1789533 (CHEMBL4261267)	Binding affinity to JAK2 (unknown origin)
50003032	15	ChEMBL_1789551 (CHEMBL4261285)	Binding affinity to DNA-tagged recombinant human FLT3 N841I mutant (592 to 969 residues) expressed in mammalian expression system by KINOMEscan assay
50003033	1	ChEMBL_1789612 (CHEMBL4261346)	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysis
50003033	2	ChEMBL_1789617 (CHEMBL4261351)	Inhibition of mouse microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate after 20 mins in presence of NAD+ by radio-flow detector based analysis
50003033	3	ChEMBL_1789613 (CHEMBL4261347)	Inhibition of human placental cytosolic 17beta-HSD1 using [3H]-E1 as substrate after 10 mins in presence of NADPH by radio-flow detector based analysis
50003034	1	ChEMBL_1789638 (CHEMBL4261372)	Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate after 120 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	2	ChEMBL_1789670 (CHEMBL4261404)	Inhibition of recombinant human cKit (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	3	ChEMBL_1789641 (CHEMBL4261375)	Binding affinity to wild-type human partial length RIPK2 (M1 to K310 residues) expressed in bacterial expression system by Kinomescan method
50003034	4	ChEMBL_1789703 (CHEMBL4261437)	Inhibition of recombinant full length human Blk M287V mutant using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	5	ChEMBL_1789692 (CHEMBL4261426)	Inhibition of recombinant human Mer H628Q/R794A double mutant (557 to 882 residues) using GGMEDIYFEFMGG as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	6	ChEMBL_1789682 (CHEMBL4261416)	Inhibition of recombinant full length human Fyn using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	7	ChEMBL_1789701 (CHEMBL4261435)	Inhibition of recombinant full length human Yes using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	8	ChEMBL_1789710 (CHEMBL4261444)	Inhibition of recombinant human Fgr (2 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	9	ChEMBL_1789702 (CHEMBL4261436)	Inhibition of recombinant full length human ZAK using MBP as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	10	ChEMBL_1789673 (CHEMBL4261407)	Inhibition of recombinant human EphA2 (596 to 900 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	11	ChEMBL_1789700 (CHEMBL4261434)	Inhibition of recombinant human WNK3 (1 to 434 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	12	ChEMBL_1789696 (CHEMBL4261430)	Inhibition of recombinant human Tie2 Q939H/Q940H double mutant (771 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	13	ChEMBL_1789690 (CHEMBL4261424)	Inhibition of recombinant full length human NEK2 using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	14	ChEMBL_1789685 (CHEMBL4261419)	Inhibition of recombinant human HRI (140 to end residues) using RSRSRSRSRSRSR as substrate after 120 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	15	ChEMBL_1789680 (CHEMBL4261414)	Inhibition of recombinant human Flt1 (783 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	16	ChEMBL_1789675 (CHEMBL4261409)	Inhibition of recombinant human EphA8 (615 to 911 residues) using KTFCGTPEYLAPE as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	17	ChEMBL_1789668 (CHEMBL4261402)	Inhibition of recombinant human Axl Q764R mutant (473 to end residues) using KKSRGDYMTMQIG as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	18	ChEMBL_1789639 (CHEMBL4261373)	Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system by Kinomescan method
50003034	19	ChEMBL_1789708 (CHEMBL4261442)	Inhibition of recombinant human MAP4K3 (1 to 291 residues) using RLGRDKYKTLRQI as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	20	ChEMBL_1789705 (CHEMBL4261439)	Inhibition of recombinant human DDR2 S642A mutant (467 to end residues) using KKSRGDYMTMQIG as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	21	ChEMBL_1789704 (CHEMBL4261438)	Inhibition of recombinant full length human BRK using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	22	ChEMBL_1789699 (CHEMBL4261433)	Inhibition of recombinant human TrkC (510 to end residues) using GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	23	ChEMBL_1789698 (CHEMBL4261432)	Inhibition of recombinant human TrkB (455 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	24	ChEMBL_1789697 (CHEMBL4261431)	Inhibition of recombinant human TrkA (440 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	25	ChEMBL_1789695 (CHEMBL4261429)	Inhibition of recombinant full length human SAPK4 using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	26	ChEMBL_1789694 (CHEMBL4261428)	Inhibition of recombinant human Ret (658 to ed residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	27	ChEMBL_1789691 (CHEMBL4261425)	Inhibition of recombinant human PKR (252 to end residues) using RSRSRSRSRSRSRS as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	28	ChEMBL_1789688 (CHEMBL4261422)	Inhibition of recombinant human MLK1 (134 to 414 residues) using casein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	29	ChEMBL_1789687 (CHEMBL4261421)	Inhibition of recombinant full length human Lck using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	30	ChEMBL_1789684 (CHEMBL4261418)	Inhibition of recombinant human Hck (230 to 497 residues) using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	31	ChEMBL_1789683 (CHEMBL4261417)	Inhibition of recombinant human GCK (1 to 473 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	32	ChEMBL_1789681 (CHEMBL4261415)	Inhibition of recombinant human Flt4 V1128L/H1146R double mutant (800 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	33	ChEMBL_1789677 (CHEMBL4261411)	Inhibition of recombinant human FGFR1 (456 to 765 residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	34	ChEMBL_1789676 (CHEMBL4261410)	Inhibition of recombinant human FAK (411 to 686 residues) using EEEEYEEEEEEYY as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	35	ChEMBL_1789674 (CHEMBL4261408)	Inhibition of recombinant human EphA7 (613 to 909 residues) using KTFCGTPEYLAPE as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	36	ChEMBL_1789672 (CHEMBL4261406)	Inhibition of recombinant human DDR1 (492 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	37	ChEMBL_1789669 (CHEMBL4261403)	Inhibition of recombinant full length human BTK using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	38	ChEMBL_1789667 (CHEMBL4261401)	Inhibition of recombinant full length human Aurora-B using AKRRRLSSLRA as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	39	ChEMBL_1789666 (CHEMBL4261400)	Inhibition of recombinant human ARG (38 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	40	ChEMBL_1789665 (CHEMBL4261399)	Inhibition of recombinant human ACK1 (1 to 389 residues) using EFPIYDFLPAKKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	41	ChEMBL_1789640 (CHEMBL4261374)	Binding affinity to wild-type human partial length RIPK4 (M1 to V303 residues) expressed in mammalian expression system by Kinomescan method
50003034	42	ChEMBL_1789642 (CHEMBL4261376)	Binding affinity to wild-type human partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system by Kinomescan method
50003034	43	ChEMBL_1789706 (CHEMBL4261440)	Inhibition of recombinant full length human Lyn using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	44	ChEMBL_1789707 (CHEMBL4261441)	Inhibition of recombinant human MST2 (2 to end residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	45	ChEMBL_1789709 (CHEMBL4261443)	Inhibition of recombinant human Src (1 to 530 residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	46	ChEMBL_1789693 (CHEMBL4261427)	Inhibition of recombinant human MLK2 (1 to 449 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	47	ChEMBL_1789686 (CHEMBL4261420)	Inhibition of recombinant human Itk (352 to 617 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	48	ChEMBL_1789671 (CHEMBL4261405)	Inhibition of recombinant full length human cSRC using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	49	ChEMBL_1789664 (CHEMBL4261398)	Inhibition of recombinant human ABL (27 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	50	ChEMBL_1789679 (CHEMBL4261413)	Inhibition of recombinant full length human MEKK2 using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	51	ChEMBL_1789689 (CHEMBL4261423)	Inhibition of recombinant human Met A1209G/V1290L double mutant (974 to end residues) using KKKGQEEEYVFIE as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003034	52	ChEMBL_1789678 (CHEMBL4261412)	Inhibition of recombinant full length human MAP4K5 using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50003035	1	ChEMBL_1789720 (CHEMBL4261454)	Inhibition of human liver microsome CYP3A4 expressed in baculosomes using fluorogenic-DBOMF as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50003038	1	ChEMBL_1789727 (CHEMBL4261461)	Inhibition of recombinant human PACE4 using pGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate by spectrofluorometry
50003038	2	ChEMBL_1789728 (CHEMBL4261462)	Inhibition of recombinant human furin using pGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate by spectrofluorometry
50003039	1	ChEMBL_1791472 (CHEMBL4263391)	Inhibition of PD-L1 (unknown origin)
50003040	2	ChEMBL_1791554 (CHEMBL4263473)	Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay
50003040	3	ChEMBL_1791569 (CHEMBL4263488)	Agonist activity at ERalpha (unknown origin) ligand binding domain assessed as fluorescein-labeled coactivator peptide recruitment by LanthaScreen TR-FRET assay
50003040	5	ChEMBL_1791551 (CHEMBL4263470)	Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assay
50003040	6	ChEMBL_1791567 (CHEMBL4263486)	Agonist activity at ERbeta (unknown origin) ligand binding domain assessed as fluorescein-labeled coactivator peptide recruitment by LanthaScreen TR-FRET assay
50003040	7	ChEMBL_1791561 (CHEMBL4263480)	Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	8	ChEMBL_1791565 (CHEMBL4263484)	Agonist activity at GAL4 DNA-binding domain fused VDR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	10	ChEMBL_1791552 (CHEMBL4263471)	Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assay
50003040	11	ChEMBL_1791588 (CHEMBL4263507)	Inhibition of CYP2C9 (unknown origin) using luciferin-H as substrate preincubated for 10 mins followed by NADPH regeneration system addition and measured after 30 mins by Promega P450-GloScreening assay
50003040	12	ChEMBL_1791587 (CHEMBL4263506)	Inhibition of CYP3A4 (unknown origin) using luciferin-IPA as substrate preincubated for 10 mins followed by NADPH regeneration system addition and measured after 10 to 30 mins by Promega P450-GloScreening assay
50003040	13	ChEMBL_1791586 (CHEMBL4263505)	Inhibition of CYP2D6 (unknown origin) using luciferin-ME EGE as substrate preincubated for 10 mins followed by NADPH regeneration system addition and measured after 30 to 45 mins by Promega P450-GloScreening assay
50003040	14	ChEMBL_1791568 (CHEMBL4263487)	Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	15	ChEMBL_1791566 (CHEMBL4263485)	Agonist activity at GAL4 DNA-binding domain fused ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	16	ChEMBL_1791564 (CHEMBL4263483)	Agonist activity at GAL4 DNA-binding domain fused TRbeta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	17	ChEMBL_1791562 (CHEMBL4263481)	Agonist activity at GAL4 DNA-binding domain fused PPARdelta receptor (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	18	ChEMBL_1791560 (CHEMBL4263479)	Agonist activity at GAL4 DNA-binding domain fused GR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	19	ChEMBL_1791589 (CHEMBL4263508)	Inhibition of CYP1A2 (unknown origin) using luciferin-ME as substrate preincubated for 10 mins followed by NADPH regeneration system addition and measured after 10 to 30 mins by Promega P450-GloScreening assay
50003040	20	ChEMBL_1791563 (CHEMBL4263482)	Agonist activity at GAL4 DNA-binding domain fused PR (unknown origin) ligand binding domain expressed in UAS-bla HEK 293T cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003040	21	ChEMBL_1791559 (CHEMBL4263478)	Agonist activity at GAL4 DNA-binding domain fused androgen receptor (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay
50003041	1	ChEMBL_1791599 (CHEMBL4263518)	Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured after 60 secs
50003042	1	ChEMBL_1791645 (CHEMBL4263564)	Inhibition of calpain (unknown origin) using Suc-LY-AMC as fluorogenic substrate after 60 mins by spectrofluorometric analysis
50003043	1	ChEMBL_1791652 (CHEMBL4263571)	Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method
50003043	2	ChEMBL_1791653 (CHEMBL4263572)	Inhibition of DYRK1A (unknown origin) using Alexa-Fluor tracer-647 by FRET-based LanthaScreen Eu kinase binding assay
50003044	1	ChEMBL_1791712 (CHEMBL4263631)	Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP
50003044	2	ChEMBL_1791731 (CHEMBL4263650)	Inhibition of Dyrk1A in human HeLa cells transfected with GFP-SF3b1-NT assessed as decrease in SF3B1 phosphorylation at Thr434 after 18 hrs by Western blot analysis
50003044	3	ChEMBL_1791713 (CHEMBL4263632)	Inhibition of recombinant full length human Dyrk1B expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP
50003044	4	ChEMBL_1791729 (CHEMBL4263648)	Inhibition of recombinant human Haspin expressed in Baculovirus expression system by Adapta assay
50003044	5	ChEMBL_1791735 (CHEMBL4263654)	Inhibition of Haspin (unknown origin) after 3 hrs by ADP-Glo assay
50003044	6	ChEMBL_1791728 (CHEMBL4263647)	Inhibition of recombinant human Dyrk1A expressed in Baculovirus expression system by Z'-LYTE assay
50003046	1	ChEMBL_1791744 (CHEMBL4263663)	Inhibition of full length porcine Calpain-1 complex using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay
50003046	2	ChEMBL_1791745 (CHEMBL4263664)	Inhibition of porcine Calpain-1 active site domain using (H2NeK(-FAM)-EVYGMMK(DABCYL)eOH) substrate by FRET assay
50003047	1	ChEMBL_1791801 (CHEMBL4263720)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Ellman's method
50003047	2	ChEMBL_1791804 (CHEMBL4263723)	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Dixon plot analysis
50003047	3	ChEMBL_1791805 (CHEMBL4263724)	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Cornish-Bowden plot analysis
50003047	4	ChEMBL_1791803 (CHEMBL4263722)	Competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Lineweaver-Burk plot analysis
50003048	1	ChEMBL_1792058 (CHEMBL4263977)	Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003048	2	ChEMBL_1792059 (CHEMBL4263978)	Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003048	3	ChEMBL_1792065 (CHEMBL4263984)	Inhibition of ALK4 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003048	4	ChEMBL_1792068 (CHEMBL4263987)	Inhibition of full length GST-tagged human ACVR2A expressed in Baculovirus expression system by LanthaScreen assay
50003048	5	ChEMBL_1792064 (CHEMBL4263983)	Inhibition of ALK1 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003048	6	ChEMBL_1792069 (CHEMBL4263988)	Inhibition of GST-tagged human ACVR2B catalytic domain (185 to 488 residues) expressed in Baculovirus expression system by LanthaScreen assay
50003048	7	ChEMBL_1792070 (CHEMBL4263989)	Inhibition of recombinant His-tagged human BMPR2 (174 to end residues) by LanthaScreen assay
50003048	8	ChEMBL_1792072 (CHEMBL4263991)	Inhibition of BMP6-induced ALK2 transcriptional activity in mouse C2C12 cells expressing BRE-Luc after 30 mins by luciferase reporter gene assay
50003048	9	ChEMBL_1792067 (CHEMBL4263986)	Inhibition of ALK6 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003048	10	ChEMBL_1792071 (CHEMBL4263990)	Inhibition of recombinant N-terminal GST-tagged human TGFbetaR2 expressed in Baculovirus expression system by LanthaScreen assay
50003048	11	ChEMBL_1792066 (CHEMBL4263985)	Inhibition of ALK5 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by TR-FRET analysis
50003050	1	ChEMBL_1792104 (CHEMBL4264023)	Inhibition of human ERG
50003050	2	ChEMBL_1792101 (CHEMBL4264020)	Inhibition of full length human BTK (8 to 80 residues) using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate after 90 mins by off-chip mobility shift assay
50003050	3	ChEMBL_1792112 (CHEMBL4264031)	Inhibition of BTK in human PBMC
50003050	4	ChEMBL_1792113 (CHEMBL4264032)	Inhibition of BTK in human WBC
50003051	1	ChEMBL_1792692 (CHEMBL4264611)	Inhibition of recombinant full length His/GST-tagged human CDK5/p25 expressed in baculovirus expression system
50003051	2	ChEMBL_1792697 (CHEMBL4264616)	Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues)
50003051	3	ChEMBL_1792118 (CHEMBL4264037)	Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature for 5 mins by ADP-Glo reagent based luminescence assay
50003051	4	ChEMBL_1792690 (CHEMBL4264609)	Inhibition of recombinant full length His-tagged human CDK2/CyclinA expressed in baculovirus expression system
50003051	5	ChEMBL_1792691 (CHEMBL4264610)	Inhibition of recombinant GST-tagged human CDK3/cyclin E1
50003051	6	ChEMBL_1792693 (CHEMBL4264612)	Inhibition of recombinant full length His-tagged human CDK7/cyclin H/MNAT1 expressed in baculovirus expression system
50003051	7	ChEMBL_1792696 (CHEMBL4264615)	Inhibition of recombinant GST-tagged inactive state of human CDK11
50003051	8	ChEMBL_1792698 (CHEMBL4264617)	Inhibition of recombinant GST-tagged inactive state of human CDK16 (108 to end residues)/cyclin Y (2 to end residues)
50003051	9	ChEMBL_1792136 (CHEMBL4264055)	Inhibition of CDK9 in human MV4-11 cells assessed as decrease in RNA polymerase 2 phosphorylation at Ser 2 residues in CTD domain after 2 hrs by immunoblotting analysis
50003051	10	ChEMBL_1792139 (CHEMBL4264058)	Inhibition of CDK9 in human HL60 cells assessed as decrease in RNA polymerase 2 phosphorylation at Ser 2 residues in CTD domain after 2 hrs by immunoblotting analysis
50003051	11	ChEMBL_1792137 (CHEMBL4264056)	Inhibition of CDK9 in human MEC1 cells assessed as decrease in RNA polymerase 2 phosphorylation at Ser 2 residues in CTD domain after 2 hrs by immunoblotting analysis
50003051	12	ChEMBL_1792689 (CHEMBL4264608)	Inhibition of recombinant full length His-tagged human CDK1/CyclinB expressed in baculovirus expression system
50003051	13	ChEMBL_1792694 (CHEMBL4264613)	Inhibition of recombinant full length His-tagged human CDK8/CyclinC expressed in baculovirus expression system
50003051	14	ChEMBL_1792695 (CHEMBL4264614)	Inhibition of recombinant full length His-tagged human CDK9/CyclinT1 expressed in baculovirus expression system
50003052	1	ChEMBL_1792708 (CHEMBL4264627)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1/2 (N44 to E460 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	2	ChEMBL_1792711 (CHEMBL4264630)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 1/2 (K71 to D455 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	3	ChEMBL_1792714 (CHEMBL4264633)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1/2 (P24 to P416 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	4	ChEMBL_1792715 (CHEMBL4264634)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	5	ChEMBL_1792716 (CHEMBL4264635)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	6	ChEMBL_1792719 (CHEMBL4264638)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRDT isoform b bromodomain 1/2 (N21 to E382 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	7	ChEMBL_1792720 (CHEMBL4264639)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRDT isoform b bromodomain 2 (K250 to E382 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	8	ChEMBL_1792717 (CHEMBL4264636)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD4 long isoform bromodomain 2 (K333 to E460 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	9	ChEMBL_1792713 (CHEMBL4264632)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	10	ChEMBL_1792710 (CHEMBL4264629)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 1 (K71 to N194 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	11	ChEMBL_1792712 (CHEMBL4264631)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRD2 isoform 1 bromodomain 2 (E348 to D455 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003052	12	ChEMBL_1792718 (CHEMBL4264637)	Displacement of biotinylated acetylated peptide from recombinant human partial length BRDT isoform b bromodomain 1 (N21 to E137 residues) expressed in Escherichia coli BL21 measured after 1 hr by Bromoscan method
50003053	1	ChEMBL_1792741 (CHEMBL4264660)	Inhibition of FAM-labelled Bax binding to Bcl-xL (unknown origin) after 30 mins by fluorescence polarization assay
50003053	2	ChEMBL_1792740 (CHEMBL4264659)	Inhibition of FAM-labelled Bax binding to Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay
50003053	3	ChEMBL_1792748 (CHEMBL4264667)	Inhibition of human ERG
50003054	1	ChEMBL_1792777 (CHEMBL4264696)	Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKKK-NH2 substrate measured after 90 mins by off-chip mobility shift assay
50003054	2	ChEMBL_1792778 (CHEMBL4264697)	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human PBMC assessed as suppression of BCR-induced CD69 expression on B cells pretreated for 1 hr followed by blood stimulation measured after overnight incubation by flow cytometry
50003054	3	ChEMBL_1792781 (CHEMBL4264700)	Inhibition of BTK in human whole blood
50003055	1	ChEMBL_1792814 (CHEMBL4264733)	Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 channel expressed in yeast after 46 to 48 hrs by yeast growth restoration assay
50003056	1	ChEMBL_1792830 (CHEMBL4264749)	Inhibition of DC-SIGN (unknown origin)
50003056	2	ChEMBL_1792832 (CHEMBL4264751)	Inhibition of DC-SIGN (unknown origin) after 1 hr by fluorescence analysis
50003057	1	ChEMBL_1792848 (CHEMBL4264767)	Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [3H]-ALLOP to 5alpha-DHP after 48 hrs in presence of 1 mM NAD+ cofactor by liquid scintillation counting method
50003057	2	ChEMBL_1792852 (CHEMBL4264771)	Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [14C]-E2 to E1 after 48 hrs in presence of 1 mM NAD+ cofactor by liquid scintillation counting method
50003058	1	ChEMBL_1792871 (CHEMBL4264790)	Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assay
50003058	2	ChEMBL_1792872 (CHEMBL4264791)	Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting method
50003058	3	ChEMBL_1792874 (CHEMBL4264793)	Transrepression of RORgammat in anti-CD3/CD28 stimulated C57BL/6 mouse CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by measuring reduction in IL-17A level after 4 days by ELISA
50003058	4	ChEMBL_1792881 (CHEMBL4264800)	Transrepression of recombinant human GAL4-DBD fused LXRalpha LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assay
50003058	5	ChEMBL_1792870 (CHEMBL4264789)	Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assay
50003058	6	ChEMBL_1792880 (CHEMBL4264799)	Transrepression of recombinant human GAL4-DBD fused RORbeta LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assay
50003058	7	ChEMBL_1792882 (CHEMBL4264801)	Transrepression of recombinant human GAL4-DBD fused LXRbeta LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assay
50003058	8	ChEMBL_1792873 (CHEMBL4264792)	Transrepression of RORgammat in anti-CD3/CD28 stimulated human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by measuring reduction in IL-17A level after 7 days by flow cytometry analysis
50003058	9	ChEMBL_1792879 (CHEMBL4264798)	Displacement of [3H]T0901317 from recombinant human GST-fused RORalpha LBD after 1 to 4 hrs by microbeta scintillation counting method
50003059	1	ChEMBL_1792901 (CHEMBL4264820)	Inhibition of MDR1 in human KB/VCR cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 25 uM after 72 hrs by Western blot analysis (Rvb = 4.21 +/- 0.33 uM)
50003060	1	ChEMBL_1792906 (CHEMBL4264825)	Inhibition of recombinant His-tagged human Axl (473 to end residues) cytoplasmic domain expressed in insect system using poly (Glu-Ala-Tyr) peptide as substrate after 5 mins in presence of ADP by fluorescence analysis
50003060	2	ChEMBL_1792905 (CHEMBL4264824)	Inhibition of recombinant GST-tagged human Tyro3 (451 to 890 residues) cytoplasmic domain expressed in Baculovirus expression system using poly (Glu-Ala-Tyr) peptide as substrate after 5 mins in presence of ADP by fluorescence analysis
50003060	3	ChEMBL_1792907 (CHEMBL4264826)	Inhibition of recombinant GST-tagged human Mer (578 to 872 residues) cytoplasmic domain expressed in Baculovirus system using poly (Glu-Ala-Tyr) peptide as substrate after 5 mins in presence of ADP by fluorescence analysis
50003062	1	ChEMBL_1792973 (CHEMBL4264892)	Inhibition of recombinant wild-type HIV1 GST-fused reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50003063	1	ChEMBL_1793106 (CHEMBL4265025)	Inhibition of Escherichia coli PgaB expressed in Escherichia coli BL21 (DE3) cells transformed with pET28 plasmid coding for PgaB42-655 using acetoxymethyl-4-methylumbelliferone as substrate measured at 2 min intervals over 10 mins in presence of CoCl2 by fluorescence assay
50003063	2	ChEMBL_1793117 (CHEMBL4265036)	Inhibition of Escherichia coli PgaB expressed in Escherichia coli BL21 (DE3) cells transformed with pET28 plasmid coding for PgaB42-655 using compound pre-incubated with 1Eq DTT and using acetoxymethyl-4-methylumbelliferone as substrate measured at 2 min intervals over 10 mins in presence of CoCl2 by fluorescence assay
50003063	3	ChEMBL_1793107 (CHEMBL4265026)	Inhibition of Streptococcus pneumoniae Pgda expressed in Escherichia coli BL21 (DE3) cells transformed with pET28bSpPgdA232-431 plasmid using acetoxymethyl-4-methylumbelliferone as substrate measured at 5 min intervals over 60 mins in presence of CoCl2 by fluorescence assay
50003063	4	ChEMBL_1793118 (CHEMBL4265037)	Inhibition of Escherichia coli PgaB expressed in Escherichia coli BL21 (DE3) cells transformed with pET28 plasmid coding for PgaB42-655 using compound pre-incubated with 1Eq DTT and using acetoxymethyl-4-methylumbelliferone as substrate measured at 2 min intervals over 10 mins in presence of ZnCl2 by fluorescence assay
50003063	5	ChEMBL_1793120 (CHEMBL4265039)	Inhibition of Streptococcus pneumoniae Pgda expressed in Escherichia coli BL21 (DE3) cells transformed with pET28bSpPgdA232-431 plasmid using compound pre-incubated with 1Eq DTT and using acetoxymethyl-4-methylumbelliferone as substrate measured at 5 min intervals over 60 mins in presence of ZnCl2 by fluorescence assay
50003063	6	ChEMBL_1793109 (CHEMBL4265028)	Inhibition of His6-tagged Streptococcus pneumoniae Pgda C-terminal de-N-acetylase domain (232 to 431 residues) expressed in Escherichia coli BL21 (DE3) cells transformed with pET28b-SpPgdA232-431 using chitotriose as substrate measured at 75 or 100 sec intervals up to 5 mins in presence of CoCl2 by fluorescence assay
50003063	7	ChEMBL_1793119 (CHEMBL4265038)	Inhibition of Streptococcus pneumoniae Pgda expressed in Escherichia coli BL21 (DE3) cells transformed with pET28bSpPgdA232-431 plasmid using compound pre-incubated with 1Eq DTT and using acetoxymethyl-4-methylumbelliferone as substrate measured at 5 min intervals over 60 mins in presence of CoCl2 by fluorescence assay
50003063	8	ChEMBL_1793115 (CHEMBL4265034)	Partial mixed inhibition of Streptococcus pneumoniae apo-Pgda using N,N',N"-triacetyl chitotriose as substrate in presence of ZnCl2 by fluorescamine assay deacetylase assay based Dixon plot analysis
50003064	1	ChEMBL_1793128 (CHEMBL4265047)	Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 24 hrs by thioflavin-T fluorescence assay
50003065	1	ChEMBL_1793149 (CHEMBL4265068)	Antagonist activity at human glucagon receptor expressed in CHO-K1 GCGR Gs cells assessed as inhibition of glucagon-induced cAMP accumulation pre-incubated for 10 mins before glucagon and forskolin addition and further incubated for 30 mins by luminescence-based assay
50003066	1	ChEMBL_1793165 (CHEMBL4265084)	Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured every 30 secs for 10 mins by fluorescence assay
50003066	2	ChEMBL_1793170 (CHEMBL4265089)	Inhibition of human neutrophil elastase
50003066	3	ChEMBL_1793167 (CHEMBL4265086)	Competitive inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate by Dixon plot analysis
50003067	1	ChEMBL_1793171 (CHEMBL4265090)	Inhibition of recombinant human HDAC6 using fluorogenic HDAC substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence analysis
50003067	2	ChEMBL_1793172 (CHEMBL4265091)	Inhibition of recombinant human HDAC3 using fluorogenic HDAC substrate after 30 mins by fluorescence analysis
50003068	1	ChEMBL_1793225 (CHEMBL4265144)	Inhibition of Clostridium perfringens sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003068	2	ChEMBL_1793228 (CHEMBL4265147)	Inhibition of recombinant human cytosolic sialidase NEU2 using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003068	3	ChEMBL_1793220 (CHEMBL4265139)	Inhibition of Streptococcus pneumoniae NanA using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003068	4	ChEMBL_1793221 (CHEMBL4265140)	Inhibition of Streptococcus pneumoniae NanB using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003068	5	ChEMBL_1793222 (CHEMBL4265141)	Inhibition of Streptococcus pneumoniae sialidase NanC using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003068	6	ChEMBL_1793223 (CHEMBL4265142)	Inhibition of Vibrio cholerae sialidase using Neu5Acalpha2-3GalbetapNP as substrate after 30 mins by colorimetric assay
50003069	1	ChEMBL_1793241 (CHEMBL4265160)	Non-competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis
50003069	2	ChEMBL_1793230 (CHEMBL4265149)	Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	3	ChEMBL_1793231 (CHEMBL4265150)	Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	4	ChEMBL_1793233 (CHEMBL4265152)	Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	5	ChEMBL_1793232 (CHEMBL4265151)	Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	6	ChEMBL_1793234 (CHEMBL4265153)	Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	7	ChEMBL_1793235 (CHEMBL4265154)	Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 mins by UV-VIS spectrophotometric analysis
50003069	8	ChEMBL_1793242 (CHEMBL4265161)	Competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis
50003071	1	ChEMBL_1793287 (CHEMBL4265206)	Agonist activity at human GPR40 expressed in human HEK293 cells assessed as increase in intracellular calcium flux after 10 mins by fluorescence assay
50003071	2	ChEMBL_1793315 (CHEMBL4265234)	Inhibition of human OATP1BA
50003071	3	ChEMBL_1793310 (CHEMBL4265229)	Agonist activity at GPR40 (unknown origin)
50003071	4	ChEMBL_1793313 (CHEMBL4265232)	Agonist activity at GPR119 (unknown origin)
50003071	5	ChEMBL_1793314 (CHEMBL4265233)	Inhibition of human MRP2
50003071	6	ChEMBL_1793317 (CHEMBL4265236)	Inhibition of human ERG by patch-clamp assay
50003071	7	ChEMBL_1793319 (CHEMBL4265238)	Inhibition of CYP1A2 (unknown origin)
50003071	8	ChEMBL_1793320 (CHEMBL4265239)	Inhibition of CYP2C19 (unknown origin)
50003071	9	ChEMBL_1793321 (CHEMBL4265240)	Inhibition of CYP2D6 (unknown origin)
50003071	10	ChEMBL_1793323 (CHEMBL4265242)	Inhibition of CYP2C9 (unknown origin)
50003071	11	ChEMBL_1793316 (CHEMBL4265235)	Inhibition of human OATP1B3
50003071	12	ChEMBL_1793318 (CHEMBL4265237)	Inhibition of CYP3A4 (unknown origin)
50003071	13	ChEMBL_1793322 (CHEMBL4265241)	Inhibition of CYP2B6 (unknown origin)
50003072	1	ChEMBL_1793335 (CHEMBL4265254)	Displacement of [125I]-PYY(1 to 36 residues) from human Y2R expressed in CHO cell membranes after 2 hrs by scintillation proximity assay
50003072	2	ChEMBL_1793334 (CHEMBL4265253)	Displacement of [125I]-PYY(1 to 36 residues) from human Y1R expressed in BHK-21 cell membranes after 2 hrs by scintillation proximity assay
50003072	3	ChEMBL_1793337 (CHEMBL4265256)	Displacement of [125I]-PYY(1 to 36 residues) from human Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay
50003072	4	ChEMBL_1793341 (CHEMBL4265260)	Activation of human Y5R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 dye-based FLIPR assay
50003072	5	ChEMBL_1793336 (CHEMBL4265255)	Displacement of [125I]-PP from human Y4R expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay
50003072	6	ChEMBL_1793348 (CHEMBL4265267)	Displacement of [125I]-PYY(1 to 36 residues) from mouse Y5R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay
50003072	7	ChEMBL_1793339 (CHEMBL4265258)	Activation of human Y2R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 dye-based FLIPR assay
50003072	8	ChEMBL_1793338 (CHEMBL4265257)	Activation of human Y1R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 dye-based FLIPR assay
50003072	9	ChEMBL_1793347 (CHEMBL4265266)	Displacement of [125I]-PYY(1 to 36 residues) from mouse Y4R expressed in HEK293 cell membranes after 2 hrs by scintillation proximity assay
50003072	10	ChEMBL_1793340 (CHEMBL4265259)	Activation of human Y4R expressed in HEK293 cells assessed as inhibition of isoproterenol-induced increase in intracellular cAMP levels by calcium 5 dye-based FLIPR assay
50003073	1	ChEMBL_1793403 (CHEMBL4265322)	Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate after 10 mins by TR-FRET assay
50003073	2	ChEMBL_1793404 (CHEMBL4265323)	Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured after 1 hr by Alexofluor 488-conjugated secondary antibody and Hoechst 33342 staining based assay
50003073	3	ChEMBL_1793408 (CHEMBL4265327)	Inhibition of human full length C-terminus His-tagged ARH3 expressed in Escherichia coli using Bt-NAD ribosylated PARP1 substrate after 30 mins by TR-FRET assay
50003073	4	ChEMBL_1793409 (CHEMBL4265328)	Inhibition of human PARP1 expressed in Escherichia coli using activated DNA as substrate after 60 mins by peroxy glow reagent A/B based assay
50003073	5	ChEMBL_1793416 (CHEMBL4265335)	Inhibition of CYP1A (unknown origin)
50003073	6	ChEMBL_1793418 (CHEMBL4265337)	Inhibition of CYP2D6 (unknown origin)
50003073	7	ChEMBL_1793419 (CHEMBL4265338)	Inhibition of CYP3A4 (unknown origin)
50003073	8	ChEMBL_1793420 (CHEMBL4265339)	Inhibition of CYP2C9 (unknown origin)
50003073	9	ChEMBL_1793417 (CHEMBL4265336)	Inhibition of CYP2C19 (unknown origin)
50003074	1	ChEMBL_1793434 (CHEMBL4265353)	Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis
50003074	2	ChEMBL_1793435 (CHEMBL4265354)	Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis
50003074	3	ChEMBL_1793437 (CHEMBL4265356)	Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50003074	4	ChEMBL_1793438 (CHEMBL4265357)	Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -70 mV holding potential by two electrode voltage clamp method
50003075	1	ChEMBL_1793461 (CHEMBL4265380)	Binding affinity to recombinant C-terminal His6-tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in expressed Escherichia coli Rosetta by ITC assay
50003076	1	ChEMBL_1793490 (CHEMBL4265409)	Inhibition of chick RALDH2 expressed in doxycycline-inducible HEK293 cells assessed as inhibition of ATRA synthesis after 24 hrs in presence of ATRA and NAD+
50003076	2	ChEMBL_1793470 (CHEMBL4265389)	Inhibition of N-terminal His6-tagged recombinant human RALDH2 using RAL as substrate measured after 30 mins in presence of NADH by Morrison's plot analysis
50003076	3	ChEMBL_1793467 (CHEMBL4265386)	Inhibition of N-terminal His6-tagged recombinant chick RALDH1 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate measured after 30 mins in presence of NADH by Morrison's plot analysis
50003076	4	ChEMBL_1793465 (CHEMBL4265384)	Inhibition of N-terminal His6-tagged recombinant human RALDH2 using RAL as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins in presence of NADH by fluorescence assay
50003076	5	ChEMBL_1793463 (CHEMBL4265382)	Inhibition of N-terminal His6-tagged recombinant chick RALDH2 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins in presence of NADH by fluorescence assay
50003076	6	ChEMBL_1793482 (CHEMBL4265401)	Inhibition of N-terminal His6-tagged recombinant chick RALDH2 expressed in Escherichia coli BL21(DE3) cells up to 500 nM using RAL as substrate preincubated up to 40 mins followed by substrate addition and measured after 30 mins in presence of NADH by fluorescence assay
50003076	7	ChEMBL_1793494 (CHEMBL4265413)	Inhibition of RALDH2 in living intact choroid isolated from 4 day recovering chick eyes assessed as inhibition of ATRA synthesis after 24 hrs in presence of ATRA and NAD+
50003076	8	ChEMBL_1793466 (CHEMBL4265385)	Inhibition of N-terminal His6-tagged recombinant human mitochondrial ALDH2 using propionaldehyde as substrate preincubated for 20 mins to 1 hr followed by substrate addition and measured for 5 mins in presence of NADH by fluorescence assay
50003076	9	ChEMBL_1793468 (CHEMBL4265387)	Inhibition of N-terminal His6-tagged recombinant chick RALDH2 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate measured after 30 mins in presence of NADH by Morrison's plot analysis
50003076	10	ChEMBL_1793462 (CHEMBL4265381)	Inhibition of N-terminal His6-tagged recombinant chick RALDH1 expressed in Escherichia coli BL21(DE3) cells using RAL as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins in presence of NADH by fluorescence assay
50003076	11	ChEMBL_1793492 (CHEMBL4265411)	Inhibition of RALDH2 in choroidal cytosol fraction from 4 day recovering chick assessed as inhibition of ATRA synthesis pre-incubated for 20 mins followed by ATRA and NAD+ addition and measured after 30 mins by HPLC analysis
50003077	1	ChEMBL_1793531 (CHEMBL4265450)	Inhibition of recombinant HPSE (unknown origin) using fondaparinux as substrate incubated for 3 hrs in absence of light by WST1 assay
50003078	1	ChEMBL_1793637 (CHEMBL4265556)	Inhibition of recombinant human GST-tagged JAK2 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay
50003078	2	ChEMBL_1793638 (CHEMBL4265557)	Inhibition of recombinant human His-tagged TYK2 expressed in SF21/baculovirus expression system using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay
50003078	3	ChEMBL_1793636 (CHEMBL4265555)	Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay
50003078	4	ChEMBL_1793634 (CHEMBL4265553)	Inhibition of recombinant human GST-tagged JAK1 using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK/LDH assay
50003078	5	ChEMBL_1793635 (CHEMBL4265554)	Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/LDH assay
50003078	6	ChEMBL_1793658 (CHEMBL4265577)	Inhibition of JAK3 in human PBMC assessed as reduction in IL15-induced STAT5 phosphorylation preincubated for 75 mins followed by IL15 addition and measured after 15 mins by FACS analysis
50003078	7	ChEMBL_1793660 (CHEMBL4265579)	Inhibition of JAK3 in human whole blood assessed as reduction in IL15-induced STAT5 phosphorylation preincubated for 75 mins followed by IL15 addition and measured after 15 mins by FACS analysis
50003078	8	ChEMBL_1793671 (CHEMBL4265590)	Inhibition of ITK (unknown origin) in presence of 1 mM ATP concentration
50003078	9	ChEMBL_1793633 (CHEMBL4265552)	Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK/LDH assay
50003078	10	ChEMBL_1793666 (CHEMBL4265585)	Inhibition of BLK (unknown origin) in presence of 1 mM ATP concentration
50003078	11	ChEMBL_1793668 (CHEMBL4265587)	Inhibition of EGFR (unknown origin) in presence of 1 mM ATP concentration
50003078	12	ChEMBL_1793673 (CHEMBL4265592)	Inhibition of TEC (unknown origin) in presence of 1 mM ATP concentration
50003078	13	ChEMBL_1793659 (CHEMBL4265578)	Inhibition of JAK1/TYK2 in human PBMC assessed as reduction in IL10-induced STAT3 phosphorylation preincubated for 75 mins followed by IL10 addition and measured after 15 mins by FACS analysis
50003078	14	ChEMBL_1793665 (CHEMBL4265584)	Inhibition of BMX (unknown origin) in presence of 1 mM ATP concentration
50003078	15	ChEMBL_1793667 (CHEMBL4265586)	Inhibition of BTK (unknown origin) in presence of 1 mM ATP concentration
50003078	16	ChEMBL_1793669 (CHEMBL4265588)	Inhibition of HER2 (unknown origin) in presence of 1 mM ATP concentration
50003078	17	ChEMBL_1793670 (CHEMBL4265589)	Inhibition of HER4 (unknown origin) in presence of 1 mM ATP concentration
50003078	18	ChEMBL_1793672 (CHEMBL4265591)	Inhibition of MAP2K7 (unknown origin) in presence of 1 mM ATP concentration
50003078	19	ChEMBL_1793674 (CHEMBL4265593)	Inhibition of TXK (unknown origin) in presence of 1 mM ATP concentration
50003079	1	ChEMBL_1793715 (CHEMBL4265634)	Inhibition of Bacillus anthracis pantothenate kinase 3
50003080	1	ChEMBL_1793749 (CHEMBL4265668)	Inhibition of human ERG
50003080	2	ChEMBL_1793746 (CHEMBL4265665)	Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-FRET competitive binding assay
50003080	3	ChEMBL_1793751 (CHEMBL4265670)	Inhibition of CYP2C9 (unknown origin)
50003080	4	ChEMBL_1793747 (CHEMBL4265666)	Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET substrate addition and measured after 2 hrs by TR-FRET assay
50003080	5	ChEMBL_1793750 (CHEMBL4265669)	Inhibition of CYP2C8 (unknown origin)
50003080	6	ChEMBL_1793755 (CHEMBL4265674)	Displacement of photoprobe from MPC2 (unknown origin)
50003082	1	ChEMBL_1793824 (CHEMBL4265743)	Inhibition of recombinant human MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence assay
50003082	2	ChEMBL_1793825 (CHEMBL4265744)	Inhibition of recombinant human MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence assay
50003083	1	ChEMBL_1793840 (CHEMBL4265759)	Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence assay
50003083	2	ChEMBL_1793839 (CHEMBL4265758)	Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence assay
50003084	1	ChEMBL_1793846 (CHEMBL4265765)	Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholesterol by cholesterol E-test analysis
50003084	2	ChEMBL_1793892 (CHEMBL4265811)	Inhibition of human ACAT2
50003084	3	ChEMBL_1793891 (CHEMBL4265810)	Inhibition of human ACAT1
50003085	1	ChEMBL_1793904 (CHEMBL4265823)	Inhibition of carbonic anhydrase 12 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50003085	2	ChEMBL_1793902 (CHEMBL4265821)	Inhibition of carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50003085	3	ChEMBL_1793901 (CHEMBL4265820)	Inhibition of recombinant human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50003085	4	ChEMBL_1793903 (CHEMBL4265822)	Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50003086	1	ChEMBL_1793934 (CHEMBL4265853)	Displacement of NO711 from mouse GAT1 expressed in stable HEK293 cells preincubated for 10 mins followed by NO711 addition and measured after 40 mins by LC-ESI-MS/MS analysis
50003086	2	ChEMBL_1793942 (CHEMBL4265861)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50003086	3	ChEMBL_1793935 (CHEMBL4265854)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50003086	4	ChEMBL_1793938 (CHEMBL4265857)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50003086	5	ChEMBL_1793940 (CHEMBL4265859)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50003088	1	ChEMBL_1793950 (CHEMBL4266067)	Inhibition of recombinant human NQO1 assessed as reduction in oxidation of NADPH to NADP+ using b-lap as substrate and NADPH in presence of 0.14% (w/v) BSA
50003088	2	ChEMBL_1793952 (CHEMBL4266069)	Binding affinity to recombinant human NQO1 by fluorescence polarization competition assay
50003089	1	ChEMBL_1794129 (CHEMBL4266246)	Inhibition of ROS1 G2032R mutant (unknown origin)
50003089	2	ChEMBL_1794132 (CHEMBL4266249)	Inhibition of wild type EML4/ALK C1156Y mutant (unknown origin) expressed in NIH/3T3 cells
50003089	3	ChEMBL_1794138 (CHEMBL4266255)	Inhibition of wild type EML4/ALK 1151Tins mutant (unknown origin) expressed in NIH/3T3 cells
50003089	4	ChEMBL_1794128 (CHEMBL4266245)	Inhibition of ROS1 L2026M mutant (unknown origin)
50003089	5	ChEMBL_1794131 (CHEMBL4266248)	Inhibition of wild type EML4/ALK F1174L mutant (unknown origin) expressed in NIH/3T3 cells
50003089	6	ChEMBL_1794137 (CHEMBL4266254)	Inhibition of wild type EML4/ALK G1202R mutant (unknown origin) expressed in NIH/3T3 cells
50003089	7	ChEMBL_1794140 (CHEMBL4266257)	Inhibition of L1196M mutant (unknown origin)
50003089	8	ChEMBL_1794134 (CHEMBL4266251)	Inhibition of wild type EML4/ALK S1206Y mutant (unknown origin) expressed in NIH/3T3 cells
50003089	9	ChEMBL_1794127 (CHEMBL4266244)	Inhibition of wild type ROS1 (unknown origin)
50003089	10	ChEMBL_1794139 (CHEMBL4266256)	Inhibition of ALK (unknown origin)
50003089	11	ChEMBL_1794130 (CHEMBL4266247)	Inhibition of wild type EML4/ALK (unknown origin) expressed in NIH/3T3 cells
50003089	12	ChEMBL_1794135 (CHEMBL4266252)	Inhibition of wild type EML4/ALK L1196M mutant (unknown origin) expressed in NIH/3T3 cells
50003089	13	ChEMBL_1794133 (CHEMBL4266250)	Inhibition of wild type EML4/ALK G1269A mutant (unknown origin) expressed in NIH/3T3 cells
50003089	14	ChEMBL_1794136 (CHEMBL4266253)	Inhibition of wild type EML4/ALK L1152R mutant (unknown origin) expressed in NIH/3T3 cells
50003089	15	ChEMBL_1794146 (CHEMBL4266263)	Inhibition of TrkB (unknown origin)
50003090	1	ChEMBL_1794157 (CHEMBL4266274)	Inhibition of Aurora A kinase (unknown origin)
50003090	2	ChEMBL_1794159 (CHEMBL4266276)	Inhibition of recombinant aurora B (unknown origin)
50003090	3	ChEMBL_1794151 (CHEMBL4266268)	Inhibition of Aurora C kinase (unknown origin)
50003090	4	ChEMBL_1794173 (CHEMBL4266290)	Inhibition of Aurora B kinase in human HCT116 cells assessed as reduction in polyploid phenotype
50003090	5	ChEMBL_1794155 (CHEMBL4266272)	Inhibition of Aurora A/TPX2 (unknown origin) pre-incubated for 1 hr followed by FL-Kemptide substrate and ATP addition
50003090	6	ChEMBL_1794207 (CHEMBL4266324)	Inhibition of human Aurora C/human GST-tagged INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 60 mins
50003090	7	ChEMBL_1794211 (CHEMBL4266328)	Inhibition of full-length His-tagged recombinant aurora B (unknown origin) expressed in insect cells using biotinylated LRRWSLG substrate by scintillation proximity assay
50003090	8	ChEMBL_1794161 (CHEMBL4266278)	Inhibition of NH2-terminal GST-tagged recombinant human Aurora A kinase (118-403 residues) expressed in baculovirus
50003090	9	ChEMBL_1794212 (CHEMBL4266329)	Inhibition of aurora A in human MDA-MB-231 cells assessed as reduction in enzyme autophosphorylation incubated for 4 hrs by high-content immunofluorescence imaging
50003090	10	ChEMBL_1794230 (CHEMBL4266347)	Inhibition of GST-tagged recombinant human Aurora B kinase expressed in High5 cells using Auroratide substrate and [gamma33-ATP] by scintillation proximity assay
50003090	11	ChEMBL_1794156 (CHEMBL4266273)	Competitive inhibition of Aurora A kinase in human cells using varying ATP levels
50003090	12	ChEMBL_1794162 (CHEMBL4266279)	Inhibition of NH2-terminal GST-tagged recombinant full length human Aurora B kinase expressed in baculovirus
50003090	13	ChEMBL_1794194 (CHEMBL4266311)	Inhibition of recombinant His-tagged human Aurora A kinase expressed in Escherichia coli using Tetra-Kemptide and [gamma-33P]-ATP by liquid scintillation counting method
50003090	14	ChEMBL_1794152 (CHEMBL4266269)	Inhibition of Aurora B/INCENP (unknown origin) assessed as affinity constant pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition
50003090	15	ChEMBL_1794205 (CHEMBL4266322)	Inhibition of human Aurora A/TPX2 (unknown origin) pre-incubated for 30 mins before Biotin-Ahx-RARRRLSFFFFAKKK-NH2 substrate addition and measured after 120 mins
50003090	16	ChEMBL_1794206 (CHEMBL4266323)	Inhibition of human Aurora B/INCENP pre-incubated for 30 mins before 5-FAM-PKAtide substrate addition and measured after 120 mins
50003090	17	ChEMBL_1794210 (CHEMBL4266327)	Inhibition of full-length His-tagged recombinant aurora A (unknown origin) expressed in insect cells using biotinylated LRRWSLG substrate by Z'-LYTE assay
50003090	18	ChEMBL_1794213 (CHEMBL4266330)	Inhibition of aurora B in human MDA-MB-231 cells assessed as reduction in enzyme autophosphorylation incubated for 4 hrs by high-content immunofluorescence imaging
50003090	19	ChEMBL_1794214 (CHEMBL4266331)	Inhibition of aurora B in human MDA-MB-231 cells assessed as reduction in phosphorylation of histone H3 on Ser10 incubated for 4 hrs by high-content immunofluorescence imaging
50003090	20	ChEMBL_1794220 (CHEMBL4266337)	Inhibition of human ERG
50003090	21	ChEMBL_1794229 (CHEMBL4266346)	Inhibition of GST-tagged recombinant human Aurora A kinase expressed in High5 cells using LRRWSLGL substrate and [gamma33-ATP] by scintillation proximity assay
50003090	22	ChEMBL_1794158 (CHEMBL4266275)	Inhibition of recombinant aurora 2 (unknown origin) expressed in Sf21 insect cells incubated for 60 mins using [biotin LRRWSLGLRRWSLGLRRWSLGLRRWSLG substrate and [gamma33P]ATP by beta plate counting method
50003090	23	ChEMBL_1794231 (CHEMBL4266348)	Inhibition of GST-tagged recombinant human Aurora C kinase expressed in High5 cells using Auroratide substrate and [gamma33-ATP] by scintillation proximity assay
50003090	24	ChEMBL_1794154 (CHEMBL4266271)	Inhibition of Aurora B/INCENP (unknown origin) pre-incubated for 1 hr followed by FL-PKAtide substrate and ATP addition
50003091	1	ChEMBL_1794340 (CHEMBL4266457)	Inhibition of protein kinase C (unknown origin)
50003092	1	ChEMBL_1794356 (CHEMBL4266473)	Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimulated IRAK4 phosphorylation at Thr345/Ser346 residues preincubated for 1 hr followed by IL-1 stimulation for 10 mins by flow cytometry analysis
50003092	2	ChEMBL_1794351 (CHEMBL4266468)	Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrate after 240 mins in presence of ATP by mobility shift assay
50003092	3	ChEMBL_1794384 (CHEMBL4266501)	Inhibition of recombinant human full length GST-tagged CLK3 expressed in baculovirus expression system in presence of 150 uM ATP
50003092	4	ChEMBL_1794389 (CHEMBL4266506)	Inhibition of recombinant human C-terminal 6His-tagged full length CDK9/untagged full length Cyclin T1 expressed in baculovirus infected Sf21 insect cells in presence of 10 uM ATP
50003092	5	ChEMBL_1794382 (CHEMBL4266499)	Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli expression system in presence of 25 uM ATP
50003092	6	ChEMBL_1794387 (CHEMBL4266504)	Inhibition of recombinant human full length C-terminal His6-tagged CDK7/recombinant full length untagged cyclin H/recombinant full length N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 insect cells in presence of 5000 uM ATP
50003092	7	ChEMBL_1794386 (CHEMBL4266503)	Inhibition of recombinant human full length C-terminal His6-tagged CDK7/recombinant full length untagged cyclin H/recombinant full length N-terminal GST-tagged MAT1 expressed in baculovirus infected Sf21 insect cells in presence of 35 uM ATP
50003092	8	ChEMBL_1794383 (CHEMBL4266500)	Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system in presence of 25 uM ATP
50003092	9	ChEMBL_1794390 (CHEMBL4266507)	Inhibition of recombinant human C-terminal 6His-tagged full length CDK9/untagged full length Cyclin T1 expressed in baculovirus infected Sf21 insect cells in presence of 5000 uM ATP
50003092	10	ChEMBL_1794380 (CHEMBL4266497)	Inhibition of recombinant human N-terminal His6-tagged full length IRAK4 expressed in baculovirus infected Sf21 insect cells in presence of 5000 uM ATP
50003092	11	ChEMBL_1794381 (CHEMBL4266498)	Inhibition of recombinant human N-terminal His6-tagged IRAK1 (194 to end residues) expressed in baculovirus infected Sf21 insect cells in presence of 25 uM ATP
50003092	12	ChEMBL_1794385 (CHEMBL4266502)	Inhibition of recombinant human full length GST-tagged CLK4 expressed in baculovirus expression system in presence of 5 uM ATP
50003092	13	ChEMBL_1794388 (CHEMBL4266505)	Inhibition of recombinant human full length His-tagged CDK8/cyclin C expressed in baculovirus expression system in presence of 5 uM ATP
50003093	1	ChEMBL_1794527 (CHEMBL4266644)	Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 40 mins in presence of [gamma33P-ATP]
50003093	2	ChEMBL_1794525 (CHEMBL4266642)	Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli in presence of [gamma-33P]ATP after 30 mins by scintillation counting analysis
50003093	3	ChEMBL_1794557 (CHEMBL4266674)	Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-FRET assay
50003093	4	ChEMBL_1794566 (CHEMBL4266683)	Inhibition of recombinant human DYRK1B by radiometric filter-binding assay
50003093	5	ChEMBL_1794538 (CHEMBL4266655)	Inhibition of DYRK1A (unknown origin)
50003093	6	ChEMBL_1794544 (CHEMBL4266661)	Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system after 10 mins in presence of [gamma33P-ATP] by liquid scintillation counting analysis
50003093	7	ChEMBL_1794537 (CHEMBL4266654)	Inhibition of human recombinant MAO-A after 1 hr by by MAO-Glo assay
50003093	8	ChEMBL_1794553 (CHEMBL4266670)	Inhibition of rat DYRK1A using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP after 30 mins by scintillation counting analysis
50003093	9	ChEMBL_1794567 (CHEMBL4266684)	Inhibition of CDK1/cyclin B1 (unknown origin)
50003093	10	ChEMBL_1794526 (CHEMBL4266643)	Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system assessed as decrease in tau phosphorylation at S396 preincubated for 10 mins followed by tau addition by Western blot analysis
50003093	11	ChEMBL_1794528 (CHEMBL4266645)	Inhibition of PRAK (unknown origin)
50003093	12	ChEMBL_1794534 (CHEMBL4266651)	Inhibition of DYRK1A in human HeLa cells assessed as decrease in SF3B1 phosphorylation at Thr434 after 48 hrs by Western blot analysis
50003093	13	ChEMBL_1794543 (CHEMBL4266660)	Inhibition of GSK-3 (unknown origin)
50003093	14	ChEMBL_1794546 (CHEMBL4266663)	Inhibition of human recombinant full length N-terminal GST-tagged DYRK1A expressed in baculovirus expression system using DYRKtide-F as substrate after 1 hr by electrophoretic analysis
50003093	15	ChEMBL_1794550 (CHEMBL4266667)	Inhibition of full-length human N-terminal GST-fused CLK1 (129 to 484 residues) expressed in baculovirus expression system using MBP as substrate after 100 mins by TR-FRET assay
50003093	16	ChEMBL_1794555 (CHEMBL4266672)	Inhibition of CK2 (unknown origin)
50003093	17	ChEMBL_1794559 (CHEMBL4266676)	Inhibition of human GST-fused DYRK1A expressed in Escherichia coli BL21 (DE3) using DYRKtide as substrate after 10 mins in presence of [gamma-33P]ATP
50003093	18	ChEMBL_1794568 (CHEMBL4266685)	Inhibition of CDK2/cyclin A (unknown origin)
50003093	19	ChEMBL_1794563 (CHEMBL4266680)	Inhibition of human full-length N-terminal GST-tagged DYRK1B (1 to 629 residues) expressed in baculovirus expression system using MBP as substrate after 40 mins by TR-FRET assay
50003093	20	ChEMBL_1794531 (CHEMBL4266648)	Inhibition of human full length DYRK1A using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP]
50003093	21	ChEMBL_1794532 (CHEMBL4266649)	Inhibition of human full length DYRK2 using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP]
50003093	22	ChEMBL_1794533 (CHEMBL4266650)	Inhibition of human full length DYRK3 using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP]
50003093	23	ChEMBL_1794536 (CHEMBL4266653)	Inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli DH5alpha using RRRFRPASPLRGPPK as substrate after 30 mins by kinase-glo luminescence assay
50003093	24	ChEMBL_1794539 (CHEMBL4266656)	Inhibition of DYRK2 (unknown origin)
50003093	25	ChEMBL_1794540 (CHEMBL4266657)	Inhibition of CLK1 (unknown origin)
50003093	26	ChEMBL_1794545 (CHEMBL4266662)	Inhibition of DYRK1A Y319E mutant (unknown origin) expressed in HEK293 cells assessed as decrease in tau phosphorylation at Ser97 after 24 hrs by Western blot analysis
50003093	27	ChEMBL_1794547 (CHEMBL4266664)	Inhibition of DYRK1A (unknown origin) using YRASPSRPESPRPPA-amide as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by caliper mobility shift assay
50003093	28	ChEMBL_1794549 (CHEMBL4266666)	Inhibition of human full-length N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in baculovirus expression system using MBP as substrate after 40 mins by TR-FRET assay
50003093	29	ChEMBL_1794551 (CHEMBL4266668)	Inhibition of rat recombinant 6His-tagged DYRK1A (1 to 502 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) using KISGRLSPIMTEQ as substrate after 30 mins by UFLC analysis
50003093	30	ChEMBL_1794554 (CHEMBL4266671)	Inhibition of DYRK1B (unknown origin)
50003093	31	ChEMBL_1794556 (CHEMBL4266673)	Inhibition of human full-length recombinant GST-tagged DYRK1B expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-FRET assay
50003093	32	ChEMBL_1794558 (CHEMBL4266675)	Inhibition of human full-length N-terminal GST-fused CDK9 (1 to 372 residues) expressed in baculovirus expression system using MBP as substrate after 100 mins by TR-FRET assay
50003093	33	ChEMBL_1794560 (CHEMBL4266677)	Inhibition of rat liver CK2 using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-33P]ATP
50003093	35	ChEMBL_1794541 (CHEMBL4266658)	Inhibition of CLK2 (unknown origin)
50003093	36	ChEMBL_1794530 (CHEMBL4266647)	Inhibition of human recombinant full length N-terminal GST-tagged DYRK1B expressed in baculovirus expression system using DYRKtide-F as substrate after 1 hr by electrophoretic analysis
50003093	37	ChEMBL_1794552 (CHEMBL4266669)	Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate in presence of [gamma-33P]ATP after 30 mins by scintillation counting analysis
50003093	38	ChEMBL_1794565 (CHEMBL4266682)	Inhibition of recombinant human DYRK1A by radiometric filter-binding assay
50003094	1	ChEMBL_1794570 (CHEMBL4266687)	Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counting method
50003094	2	ChEMBL_1794581 (CHEMBL4266698)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH and Luciferin BE 50
50003095	1	ChEMBL_1794593 (CHEMBL4266710)	Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA
50003095	2	ChEMBL_1794592 (CHEMBL4266709)	Inverse agonist activity at GAL4-fused RORB LBD (unknown origin) expressed in mouse neuro2A cells assessed as inhibition of transcriptional activity after 20 to 24 hrs by luciferase reporter gene assay
50003095	3	ChEMBL_1794591 (CHEMBL4266708)	Inverse agonist activity at GAL4-fused RORA LBD (unknown origin) expressed in mouse neuro2A cells assessed as inhibition of transcriptional activity after 20 to 24 hrs by luciferase reporter gene assay
50003095	4	ChEMBL_1794589 (CHEMBL4266706)	Inverse agonist activity at RORB (unknown origin) assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FRET assay
50003095	5	ChEMBL_1794585 (CHEMBL4266702)	Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FRET assay
50003095	6	ChEMBL_1794587 (CHEMBL4266704)	Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells by scintillation proximity assay
50003095	7	ChEMBL_1794590 (CHEMBL4266707)	Inverse agonist activity at GAL4-fused RORC2 LBD (unknown origin) expressed in mouse neuro2A cells assessed as inhibition of transcriptional activity after 20 to 24 hrs by luciferase reporter gene assay
50003095	8	ChEMBL_1794588 (CHEMBL4266705)	Inverse agonist activity at RORA (unknown origin) assessed as inhibition of biotinylated co-activator SRC1-2 peptide recruitment after 3 hrs by TR-FRET assay
50003095	9	ChEMBL_1794626 (CHEMBL4266743)	Inverse agonist activity at RORC2 in BALB/c mouse Th17 cells assessed as inhibition of IL17A production after 4 days by electrochemiluminescence assay
50003096	1	ChEMBL_1794637 (CHEMBL4266754)	Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate measured after 30 mins
50003096	2	ChEMBL_1794638 (CHEMBL4266755)	Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate measured after 30 mins
50003098	1	ChEMBL_1794644 (CHEMBL4266761)	Inhibition of human U937 cells-derived PDE4B using [3H]-cAMP as substrate after 30 mins
50003098	2	ChEMBL_1794645 (CHEMBL4266762)	Inhibition of human U937 cells-derived PDE4D using [3H]-cAMP as substrate after 30 mins
50003099	1	ChEMBL_1794662 (CHEMBL4266779)	Inhibition of human Nav1.7 expressed in CHO cells at holding potential of -100 mV by patch-clamp electrophysiology method
50003099	2	ChEMBL_1794651 (CHEMBL4266768)	Inhibition of Nav1.7 (unknown origin) by electrophysiology assay
50003099	3	ChEMBL_1794652 (CHEMBL4266769)	Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay
50003099	4	ChEMBL_1794655 (CHEMBL4266772)	Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -120 mV by manual electrophysiology method
50003099	5	ChEMBL_1794663 (CHEMBL4266780)	Binding affinity to recombinant human Nav1.7 after 18 hrs by radioligand binding assay
50003099	6	ChEMBL_1794653 (CHEMBL4266770)	Inhibition of human Nav1.7 expressed in HEK293 cells after 3 mins by electrophysiology assay
50003100	1	ChEMBL_1794681 (CHEMBL4266798)	Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes after 120 mins by liquid scintillation counting
50003100	2	ChEMBL_1794680 (CHEMBL4266797)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in rat liver membranes after 120 mins by liquid scintillation counting
50003101	1	ChEMBL_1794704 (CHEMBL4266821)	Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORbeta LBD (71 to 459 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by TopCount scintillation proximity assay
50003101	2	ChEMBL_1794705 (CHEMBL4266822)	Displacement of [3H]-T0901317 from recombinant human His-SUMO-tagged RORgamma LBD (265 to 518 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by scintillation proximity assay
50003101	3	ChEMBL_1794709 (CHEMBL4266826)	Inverse agonist activity at GAL4-DNA binding domain-fused human RORbeta ligand binding domain expressed in HEK293T cells incubated for 20 hrs by luciferase reporter gene assay
50003102	1	ChEMBL_1794714 (CHEMBL4266831)	Inhibition of recombinant Aurora A (unknown origin) using TAMRA-PKAtide as substrate after 30 mins by fluorescence polarization assay
50003102	2	ChEMBL_1794715 (CHEMBL4266832)	Inhibition of recombinant Aurora B (unknown origin) using TAMRA-PKAtide as substrate after 1 hr by fluorescence polarization assay
50003103	1	ChEMBL_1794805 (CHEMBL4266922)	Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
50003104	1	ChEMBL_1794818 (CHEMBL4266935)	Displacement of 3H-dofetilide from human ERG
50003104	2	ChEMBL_1794828 (CHEMBL4266945)	Inhibition of CYP2C8 (unknown origin)
50003104	3	ChEMBL_1794831 (CHEMBL4266948)	Inhibition of CYP1A2 (unknown origin)
50003104	4	ChEMBL_1794827 (CHEMBL4266944)	Inhibition of CYP3A4 (unknown origin)
50003104	5	ChEMBL_1794829 (CHEMBL4266946)	Inhibition of CYP2C9 (unknown origin)
50003104	6	ChEMBL_1794830 (CHEMBL4266947)	Inhibition of CYP2D6 (unknown origin)
50003104	7	ChEMBL_1794832 (CHEMBL4266949)	Inhibition of CYP2C19 (unknown origin)
50003105	1	ChEMBL_1794841 (CHEMBL4266958)	Agonist activity at human GPR119 expressed in CHO-K1 cells after 4 hrs by Bright-Glo luciferase assay
50003107	1	ChEMBL_1794850 (CHEMBL4266967)	Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glutamate-induced forskolin-mediated cAMP accumulation after 5 mins by fluorescence analysis
50003107	2	ChEMBL_1794849 (CHEMBL4266966)	Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glutamate-induced forskolin-mediated cAMP accumulation after 5 mins by fluorescence analysis
50003108	1	ChEMBL_1794860 (CHEMBL4266977)	Inhibition of recombinant N-terminal His6-tagged human Pin1 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition measured for 90 secs
50003109	1	ChEMBL_1794866 (CHEMBL4266983)	Inhibition of Helicobacter pylori urease after 50 mins by indophenol method
50003110	1	ChEMBL_1794870 (CHEMBL4266987)	Inhibition of human AS3MT using NaAsO2 as substrate preincubated for 30 minutes followed by substrate addition measured after 90 mins in presence of SAM
50003110	2	ChEMBL_1794871 (CHEMBL4266988)	Inhibition of full-length DOT1L (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition measured after 45 mins in presence of SAM by MTaseGlo assay
50003110	3	ChEMBL_1794872 (CHEMBL4266989)	Inhibition of full-length NSD2 (unknown origin) using HeLa oligonucleosome as substrate preincubated for 15 mins followed by substrate addition measured after 45 mins in presence of SAM by MTaseGlo assay
50003111	1	ChEMBL_1794874 (CHEMBL4266991)	Inhibition of RSK2 (unknown origin) assessed as reduction in YB1 transmembrane phosphorylation
50003111	2	ChEMBL_1794873 (CHEMBL4266990)	Inhibition of RSK2 (unknown origin)
50003111	3	ChEMBL_1794882 (CHEMBL4266999)	Inhibition of KDR (unknown origin)
50003111	4	ChEMBL_1794875 (CHEMBL4266992)	Inhibition of AXL (unknown origin)
50003111	5	ChEMBL_1794884 (CHEMBL4267001)	Inhibition of RPS6KB1 (unknown origin)
50003111	6	ChEMBL_1794883 (CHEMBL4267000)	Inhibition of RET (unknown origin)
50003111	7	ChEMBL_1794881 (CHEMBL4266998)	Inhibition of FGFR2 (unknown origin)
50003111	8	ChEMBL_1794880 (CHEMBL4266997)	Inhibition of FGFR1 (unknown origin)
50003111	9	ChEMBL_1794878 (CHEMBL4266995)	Inhibition of JAK1 (unknown origin)
50003111	10	ChEMBL_1794885 (CHEMBL4267002)	Inhibition of FLT3 (unknown origin)
50003111	11	ChEMBL_1794879 (CHEMBL4266996)	Inhibition of JAK2 (unknown origin)
50003112	1	ChEMBL_1794905 (CHEMBL4267022)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50003112	2	ChEMBL_1794906 (CHEMBL4267023)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50003112	3	ChEMBL_1794900 (CHEMBL4267017)	Inhibition of CYP2B6 (unknown origin)
50003112	4	ChEMBL_1794901 (CHEMBL4267018)	Inhibition of CYP2C8 (unknown origin)
50003112	5	ChEMBL_1794902 (CHEMBL4267019)	Inhibition of CYP2C9 (unknown origin)
50003112	6	ChEMBL_1794904 (CHEMBL4267021)	Inhibition of CYP2D6 (unknown origin)
50003112	7	ChEMBL_1794903 (CHEMBL4267020)	Inhibition of CYP2C19 (unknown origin)
50003113	1	ChEMBL_1794919 (CHEMBL4267036)	Inhibition of 5CF-PLATSpTPKNG-NH2 binding to Plk3 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition measured after 30 mins by fluorescence polarization assay
50003113	2	ChEMBL_1794917 (CHEMBL4267034)	Inhibition of 5CF-GPMQSpTPLNG-NH2 binding to Plk1 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition measured after 30 mins by fluorescence polarization assay
50003113	3	ChEMBL_1794916 (CHEMBL4267033)	Inhibition of full-length myc-tagged Plk1 C-terminal polo-box domain (unknown origin) assessed as inhibition of Plk1-Biotin-Ahx-PMQS(pT)PLN-NH2 peptide interaction preincubated for 1 hr followed by Biotin-Ahx-PMQS(pT)PLN-NH2 addition and measured after 1 hr by ELISA
50003113	4	ChEMBL_1794918 (CHEMBL4267035)	Inhibition of 5CF-GPMQTSpTPKNG-NH2 binding to Plk2 C-terminal polo-box domain (unknown origin) preincubated for 30 mins followed by probe addition measured after 30 mins by fluorescence polarization assay
50003114	1	ChEMBL_1794924 (CHEMBL4267041)	Inhibition of Plasmodium falciparum protein kinase G
50003115	1	ChEMBL_1795011 (CHEMBL4267128)	Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay
50003115	2	ChEMBL_1795017 (CHEMBL4267134)	Inhibition of human ERG
50003115	3	ChEMBL_1795014 (CHEMBL4267131)	Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by beta-arrestin recruitment assay
50003115	4	ChEMBL_1795016 (CHEMBL4267133)	Agonist activity at PPARgamma (unknown origin)
50003116	1	ChEMBL_1795140 (CHEMBL4267257)	Inhibition of N-terminal GST-tagged human EGFR del 747-750 mutant cytoplasmic domain expressed in baculovirus expression system using FAM-labeled peptide as substrate after 10 mins by mobility shift assay
50003116	2	ChEMBL_1795138 (CHEMBL4267255)	Inhibition of N-terminal GST-tagged wild type human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using FAM-labeled peptide as substrate after 10 mins by mobility shift assay
50003116	3	ChEMBL_1795142 (CHEMBL4267259)	Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain expressed in baculovirus expression system using FAM-labeled peptide as substrate after 10 mins by mobility shift assay
50003117	1	ChEMBL_1795304 (CHEMBL4267421)	Inhibition of full-length human CDK2/N-terminal GST-tagged Cyclin A2 (1 to 432 residues) expressed in Baculovirus expression system using FAM-P8/P18 as substrate measured after 40 mins
50003117	2	ChEMBL_1795309 (CHEMBL4267426)	Inhibition of CDK6 (unknown origin)
50003117	3	ChEMBL_1795306 (CHEMBL4267423)	Inhibition of CDK2 (unknown origin)
50003117	4	ChEMBL_1795307 (CHEMBL4267424)	Inhibition of CDK4 (unknown origin)
50003117	5	ChEMBL_1795305 (CHEMBL4267422)	Inhibition of CDK1 (unknown origin)
50003117	6	ChEMBL_1795308 (CHEMBL4267425)	Inhibition of CDK5 (unknown origin)
50003117	7	ChEMBL_1795310 (CHEMBL4267427)	Inhibition of CDK7 (unknown origin)
50003119	1	ChEMBL_1795339 (CHEMBL4267456)	Non-competitive inhibition of recombinant HisA-tagged Trypanosoma cruzi trans-sialidase expressed in Escherichia coli BL21 (DE3) using varying levels of MuNANA as substrate by Lineweaver-burk plot analysis
50003119	2	ChEMBL_1795336 (CHEMBL4267453)	Inhibition of Clostridium perfringens neuraminidase using MuNANA as substrate pretreated for 10 mins followed by substrate addition by fluorescence assay
50003119	3	ChEMBL_1795334 (CHEMBL4267451)	Inhibition of recombinant HisA-tagged Trypanosoma cruzi trans-sialidase expressed in Escherichia coli BL21 (DE3) using MuNANA as substrate pretreated for 10 mins followed by substrate addition by fluorescence assay
50003119	4	ChEMBL_1795342 (CHEMBL4267459)	Inhibition of Trypanosoma cruzi trans-sialidase
50003119	5	ChEMBL_1795340 (CHEMBL4267457)	Inhibition of recombinant Trypanosoma cruzi trans-sialidase expressed in Escherichia coli BL21 (DE3) using MuNANA as substrate after 10 mins in presence of [D-glucose-1-14C]lactose by liquid scintillation counting method
50003119	6	ChEMBL_1795343 (CHEMBL4267460)	Inhibition of Trypanosoma cruzi trans-sialidase using CF3MuSA as substrate by UV/visible spectrophotometric method
50003119	7	ChEMBL_1795335 (CHEMBL4267452)	Inhibition of Streptococcus pneumoniae neuraminidase A using MuNANA as substrate pretreated for 10 mins followed by substrate addition by fluorescence assay
50003120	1	ChEMBL_1795347 (CHEMBL4267464)	Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate by UV-vis spectrophotometric method
50003121	1	ChEMBL_1795357 (CHEMBL4267474)	Inhibition of recombinant p53 protein binding to recombinant human MDM2 by surface plasmon resonance method
50003121	2	ChEMBL_1795366 (CHEMBL4267483)	Inhibition of p53 protein binding to recombinant human GST-tagged MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) after 30 mins by ELISA
50003121	3	ChEMBL_1795364 (CHEMBL4267481)	Inhibition of FAM-tagged p53-based fluorescent probe binding to human His-tagged MDM2 (1 to 118 residues) after 15 mins by fluorescence polarization assay
50003121	4	ChEMBL_1795367 (CHEMBL4267484)	Binding affinity to recombinant human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in tryptophan fluorescence by microscale thermophoresis method
50003122	1	ChEMBL_1795368 (CHEMBL4267485)	Inhibition of human uPA
50003122	2	ChEMBL_1795370 (CHEMBL4267487)	Inhibition of human plasmin
50003122	3	ChEMBL_1795369 (CHEMBL4267486)	Inhibition of human tPA
50003122	4	ChEMBL_1795378 (CHEMBL4267495)	Inhibition of mouse tPA
50003122	5	ChEMBL_1795377 (CHEMBL4267494)	Inhibition of mouse uPA
50003122	6	ChEMBL_1795379 (CHEMBL4267496)	Inhibition of mouse plasmin
50003123	1	ChEMBL_1795383 (CHEMBL4267500)	Inhibition of Notch1 deltaE mutant (unknown origin) expressed in HEK293 cells after 16 hrs by resazurin dye-based luciferase reporter gene assay
50003124	1	ChEMBL_1795473 (CHEMBL4267590)	Agonist activity at recombinant human GPR40 expressed in HEK293 cells assessed as increase in intracellular calcium flux measured for 120 secs by calcium-5 dye based assay
50003125	1	ChEMBL_1795493 (CHEMBL4267610)	Inhibition of ovine COX2 using arachidonic acid as substrate incubated for 5 mins followed by substrate addition measured after 2 mins by colorimetric based ELISA
50003125	2	ChEMBL_1795492 (CHEMBL4267609)	Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 5 mins followed by substrate addition measured after 2 mins by colorimetric based ELISA
50003126	1	ChEMBL_1795608 (CHEMBL4267725)	Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mins followed by substrates addition and measured after 1 hr by colorimetric method
50003127	1	ChEMBL_1795632 (CHEMBL4267749)	Inhibition of c-MET (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	2	ChEMBL_1795638 (CHEMBL4267755)	Inhibition of ALK (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	3	ChEMBL_1795637 (CHEMBL4267754)	Inhibition of FLT4 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	4	ChEMBL_1795633 (CHEMBL4267750)	Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	5	ChEMBL_1795634 (CHEMBL4267751)	Inhibition of FLT3 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	6	ChEMBL_1795636 (CHEMBL4267753)	Inhibition of PDGFRbeta (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	7	ChEMBL_1795639 (CHEMBL4267756)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003127	8	ChEMBL_1795635 (CHEMBL4267752)	Inhibition of c-KIT (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay
50003129	1	ChEMBL_1795643 (CHEMBL4267760)	Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay
50003130	1	ChEMBL_1795753 (CHEMBL4267870)	Antagonist activity at P2Y1 (unknown origin) expressed in human 1321N1 cells assessed as induction of calcium stimulation by fluo-4 dye based assay
50003130	2	ChEMBL_1795755 (CHEMBL4267872)	Displacement of [3H]2-chloro-N 6- methyl-( N )-methanocarba-2'-deoxyadenosine 3 ' ,5 '-bis-phosphate from human P2Y1 expressed in baculovirus infected insect Sf9 cells after 30 mins by scintillation spectrometric method
50003131	1	ChEMBL_1795766 (CHEMBL4267883)	Inhibition of human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system after 1 hr by mobility shift assay
50003131	2	ChEMBL_1795765 (CHEMBL4267882)	Inhibition of human N-terminal GST-tagged ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system after 1 hr by mobility shift assay
50003131	3	ChEMBL_1795767 (CHEMBL4267884)	Inhibition of human N-terminal GST-tagged ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system after 1 hr by mobility shift assay
50003131	4	ChEMBL_1795769 (CHEMBL4267886)	Inhibition of human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system after 1 hr by mobility shift assay
50003131	5	ChEMBL_1795768 (CHEMBL4267885)	Inhibition of human N-terminal GST-tagged ROS cytoplasmic domain (1883 to 2347 residues) expressed in baculovirus expression system after 1 hr by mobility shift assay
50003132	1	ChEMBL_1795783 (CHEMBL4267900)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50003132	2	ChEMBL_1795780 (CHEMBL4267897)	Displacement of [3H](+)-pentazocine from S1R in guinea pig brain cortex membranes after 120 mins by scintillation counting assay
50003132	3	ChEMBL_1795781 (CHEMBL4267898)	Displacement of [3H]-DTG from S2R in rat liver membranes after 120 mins by scintillation counting assay
50003132	4	ChEMBL_1795802 (CHEMBL4267919)	Displacement of [3H]DTG from S1R in P2 fraction of Hartley guinea pig whole brain after 90 mins by liquid scintillation counting method
50003133	1	ChEMBL_1795804 (CHEMBL4267921)	Inhibition of HIV1 reverse transcriptase L100I mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	2	ChEMBL_1795807 (CHEMBL4267924)	Inhibition of HIV1 reverse transcriptase Y188L mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	3	ChEMBL_1795805 (CHEMBL4267922)	Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	4	ChEMBL_1795806 (CHEMBL4267923)	Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	5	ChEMBL_1795815 (CHEMBL4267932)	Inhibition of HIV1 reverse transcriptase L100I/K103N double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	6	ChEMBL_1795825 (CHEMBL4267942)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant infected in human MT2 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	7	ChEMBL_1795808 (CHEMBL4267925)	Inhibition of wild-type HIV1 3B reverse transcriptase
50003133	8	ChEMBL_1795810 (CHEMBL4267927)	Inhibition of recombinant HIV1 reverse transcriptase K103N mutant
50003133	9	ChEMBL_1795813 (CHEMBL4267930)	Inhibition of recombinant HIV1 reverse transcriptase L100I/K103N double mutant
50003133	10	ChEMBL_1795816 (CHEMBL4267933)	Inhibition of HIV1 reverse transcriptase K103N/Y188C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	11	ChEMBL_1795817 (CHEMBL4267934)	Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells harboring GFP by scanning microscopic analysis
50003133	12	ChEMBL_1795819 (CHEMBL4267936)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells harboring GFP by scanning microscopic analysis
50003133	13	ChEMBL_1795823 (CHEMBL4267940)	Inhibition of HIV1 3B reverse transcriptase infected in human MT2 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	14	ChEMBL_1795827 (CHEMBL4267944)	Inhibition of CXCR4 tropic HIV1 UG070 reverse transcriptase infected in human TZM-bl cells
50003133	15	ChEMBL_1795829 (CHEMBL4267946)	Inhibition of CCR5 tropic HIV1 VB59 reverse transcriptase infected in human TZM-bl cells
50003133	16	ChEMBL_1795832 (CHEMBL4267949)	Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured after 4 days by MTT assay
50003133	17	ChEMBL_1795833 (CHEMBL4267950)	Inhibition of HIV1 reverse transcriptase K103N/Y188C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured after 4 days by MTT assay
50003133	18	ChEMBL_1795840 (CHEMBL4267957)	Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant
50003133	19	ChEMBL_1795803 (CHEMBL4267920)	Inhibition of HIV1 LAI reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	20	ChEMBL_1795811 (CHEMBL4267928)	Inhibition of recombinant HIV1 reverse transcriptase Y181C mutant
50003133	21	ChEMBL_1795812 (CHEMBL4267929)	Inhibition of recombinant HIV1 reverse transcriptase Y188L mutant
50003133	22	ChEMBL_1795820 (CHEMBL4267937)	Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT4 cells harboring GFP by scanning microscopic analysis
50003133	23	ChEMBL_1795831 (CHEMBL4267948)	Inhibition of HIV1 reverse transcriptase K103N/Y188C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured 5 days post infection by MTT assay
50003133	24	ChEMBL_1795818 (CHEMBL4267935)	Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells harboring GFP by scanning microscopic analysis
50003133	25	ChEMBL_1795830 (CHEMBL4267947)	Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured 5 days post infection by MTT assay
50003133	26	ChEMBL_1795809 (CHEMBL4267926)	Inhibition of recombinant HIV1 reverse transcriptase L100I mutant
50003133	27	ChEMBL_1795814 (CHEMBL4267931)	Inhibition of recombinant HIV1 reverse transcriptase K103N/Y181C double mutant
50003133	28	ChEMBL_1795824 (CHEMBL4267941)	Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT2 cells assessed as protection against virus-induced cytopathic effect by MTT assay
50003133	29	ChEMBL_1795826 (CHEMBL4267943)	Inhibition of CXCR4 tropic HIV1 3B reverse transcriptase infected in human TZM-bl cells
50003133	30	ChEMBL_1795828 (CHEMBL4267945)	Inhibition of CCR5 tropic HIV1 ADA5 reverse transcriptase infected in human TZM-bl cells
50003133	31	ChEMBL_1795835 (CHEMBL4267952)	Inhibition of HIV1 reverse transcriptase K103N mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured 5 days post infection by MTT assay
50003133	32	ChEMBL_1795836 (CHEMBL4267953)	Inhibition of HIV1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured 5 days post infection by MTT assay
50003133	33	ChEMBL_1795838 (CHEMBL4267955)	Inhibition of HIV1 RES056 reverse transcriptase K103N/Y181C double mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect
50003133	34	ChEMBL_1795837 (CHEMBL4267954)	Inhibition of wild-type HIV1 3B reverse transcriptase infected in human MT4 cells assessed as protection against virus-induced cytopathic effect
50003133	35	ChEMBL_1795839 (CHEMBL4267956)	Inhibition of HIV1 reverse transcriptase
50003134	1	ChEMBL_1795842 (CHEMBL4267959)	Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T assay
50003134	2	ChEMBL_1795848 (CHEMBL4267965)	Disaggregation of amyloid beta (1 to 42 residues) (unknown origin) preformed fibrils incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T assay
50003135	1	ChEMBL_1795864 (CHEMBL4267981)	Inhibition of PI3KCbeta/PIK3R1 (unknown origin)
50003135	2	ChEMBL_1795865 (CHEMBL4267982)	Inhibition of PI3KCdelta/PIK3R1 (unknown origin)
50003135	3	ChEMBL_1795863 (CHEMBL4267980)	Inhibition of PI3KCalpha/PIK3R1 (unknown origin)
50003135	4	ChEMBL_1795866 (CHEMBL4267983)	Inhibition of PI3KCgamma (unknown origin)
50003136	1	ChEMBL_1795907 (CHEMBL4268024)	Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells after 60 mins by ELISA
50003136	2	ChEMBL_1795906 (CHEMBL4268023)	Inhibition of Aurora B (unknown origin) using STK S2 as substrate after 30 mins by HTRF assay
50003136	3	ChEMBL_1795905 (CHEMBL4268022)	Inhibition of Aurora A (unknown origin) using STK S2 as substrate after 40 mins by HTRF assay
50003136	4	ChEMBL_1795954 (CHEMBL4268071)	Inhibition of recombinant human full length His-tagged Aurora B expressed in baculovirus expression system using peptide substrate after 1 hr by Z'-Lyte assay
50003136	5	ChEMBL_1795953 (CHEMBL4268070)	Inhibition of recombinant human full length His-tagged Aurora A expressed in baculovirus expression system using peptide substrate after 1 hr by Z'-Lyte assay
50003137	1	ChEMBL_1795958 (CHEMBL4268075)	Inhibition of biotinylated VEGF-A165 binding to rat NRP1/FC chimera after 40 mins by ELISA
50003137	2	ChEMBL_1795955 (CHEMBL4268072)	Inhibition of biotinylated VEGF165 binding to NRP1 (unknown origin) by ELISA
50003138	1	ChEMBL_1795961 (CHEMBL4268078)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50003138	2	ChEMBL_1795965 (CHEMBL4268082)	Inhibition of electric eel AChE
50003138	3	ChEMBL_1795968 (CHEMBL4268085)	Inhibition of rat liver mitochondrial MAOA using [14C]-5-HT as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis
50003138	4	ChEMBL_1795973 (CHEMBL4268090)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50003138	5	ChEMBL_1795980 (CHEMBL4268097)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every 1 min for 10 mins by Ellman's method
50003138	6	ChEMBL_1795970 (CHEMBL4268087)	Inhibition of AChE (unknown origin)
50003138	7	ChEMBL_1795976 (CHEMBL4268093)	Inhibition of recombinant human MAOB using tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric method
50003138	8	ChEMBL_1795966 (CHEMBL4268083)	Inhibition of equine serum BuChE
50003138	9	ChEMBL_1795962 (CHEMBL4268079)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50003138	10	ChEMBL_1795964 (CHEMBL4268081)	Inhibition of BACE-1 (unknown origin)
50003138	11	ChEMBL_1795969 (CHEMBL4268086)	Inhibition of rat liver mitochondrial MAOB using [14C]-PEA as substrate preincubated for 30 mins followed by substrate addition measured after 2 mins by liquid scintillation counting analysis
50003138	12	ChEMBL_1795971 (CHEMBL4268088)	Inhibition of BuChE (unknown origin)
50003138	13	ChEMBL_1795972 (CHEMBL4268089)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50003138	14	ChEMBL_1795974 (CHEMBL4268091)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by Ellman's method
50003138	15	ChEMBL_1795975 (CHEMBL4268092)	Inhibition of recombinant human MAOA using tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric method
50003138	16	ChEMBL_1795978 (CHEMBL4268095)	Inhibition of human MAOB
50003138	17	ChEMBL_1795981 (CHEMBL4268098)	Mixed type competitive inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every 1 min for 10 mins by Ellman's method
50003138	18	ChEMBL_1795983 (CHEMBL4268100)	Mixed type inhibition of electric eel AChE
50003138	19	ChEMBL_1795982 (CHEMBL4268099)	Mixed type inhibition of equine serum BuChE
50003138	20	ChEMBL_1795977 (CHEMBL4268094)	Inhibition of human MAOA
50003139	1	ChEMBL_1795990 (CHEMBL4268107)	Binding affinity to HIV1 NL4-3 monomeric capsid protein by surface plasmon resonance
50003139	2	ChEMBL_1795991 (CHEMBL4268108)	Binding affinity to HIV1 NL4-3 hexameric capsid protein by surface plasmon resonance
50003139	3	ChEMBL_1795989 (CHEMBL4268106)	Binding affinity to HIV1 NL4-3 N-terminal domain capsid protein by surface plasmon resonance
50003140	1	ChEMBL_1796104 (CHEMBL4268221)	Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by ion exchange filter paper method
50003140	2	ChEMBL_1796105 (CHEMBL4268222)	Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and measured for 1.5 hrs at 15 mins time interval by fluorescence assay
50003140	3	ChEMBL_1796106 (CHEMBL4268223)	Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate preincubated with enzyme followed by substrate addition for 2 hrs and measured for 1.5 hrs at 15 mins time interval by fluorescence assay
50003140	4	ChEMBL_1796109 (CHEMBL4268226)	Inhibition of human JAK3 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by ion exchange filter paper method
50003140	5	ChEMBL_1796108 (CHEMBL4268225)	Inhibition of HDAC6 (unknown origin)
50003140	6	ChEMBL_1796107 (CHEMBL4268224)	Inhibition of HDAC1 (unknown origin)
50003140	7	ChEMBL_1796110 (CHEMBL4268227)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by ion exchange filter paper method
50003140	8	ChEMBL_1796111 (CHEMBL4268228)	Inhibition of human JAK1 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by ion exchange filter paper method
50003141	1	ChEMBL_1796184 (CHEMBL4268301)	Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay
50003141	2	ChEMBL_1796183 (CHEMBL4268300)	Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay
50003145	1	ChEMBL_1796230 (CHEMBL4268347)	Inhibition of PI3Kalpha H1047R mutant (unknown origin) by HTRF assay
50003145	2	ChEMBL_1796236 (CHEMBL4268353)	Inhibition of PI3Kgamma (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay
50003145	3	ChEMBL_1796233 (CHEMBL4268350)	Inhibition of wild type PI3Kalpha (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay
50003145	4	ChEMBL_1796237 (CHEMBL4268354)	Inhibition of PI3Kdelta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay
50003145	5	ChEMBL_1796235 (CHEMBL4268352)	Inhibition of PI3Kbeta (unknown origin) after 40 mins by kinase-Glo reagent based luminescence assay
50003146	1	ChEMBL_1796376 (CHEMBL4268493)	Inhibition of PDE5 in Wistar rat mesentric arteries assessed as inhibition of phenylephrine-induced contraction by measuring increase in acetylcholine-induced vasorelaxation by pressure myographic method
50003146	2	ChEMBL_1796360 (CHEMBL4268477)	Inhibition of recombinant human N-terminal FLAG-tagged PDE2A (2 to 941 residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	3	ChEMBL_1796361 (CHEMBL4268478)	Inhibition of recombinant human N-terminal GST-tagged PDE3B (592 to end residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	4	ChEMBL_1796362 (CHEMBL4268479)	Inhibition of full length recombinant human N-terminal GST-tagged PDE4A1A expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	5	ChEMBL_1796363 (CHEMBL4268480)	Inhibition of full length recombinant human N-terminal GST-tagged PDE6C expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	6	ChEMBL_1796368 (CHEMBL4268485)	Inhibition of full length recombinant human N-terminal GST-tagged PDE9A2 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	7	ChEMBL_1796365 (CHEMBL4268482)	Inhibition of full length recombinant human N-terminal GST-tagged PDE11A4 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	8	ChEMBL_1796357 (CHEMBL4268474)	Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-GMP as substrate after 1 hr by fluorescence polarization assay
50003146	9	ChEMBL_1796355 (CHEMBL4268472)	Inhibition of PDE5 (unknown origin)
50003146	10	ChEMBL_1796359 (CHEMBL4268476)	Inhibition of full length recombinant human N-terminal GST-tagged PDE1A expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	11	ChEMBL_1796366 (CHEMBL4268483)	Inhibition of recombinant human N-terminal GST-tagged PDE7A (122 to end residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	12	ChEMBL_1796369 (CHEMBL4268486)	Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003146	13	ChEMBL_1796367 (CHEMBL4268484)	Inhibition of full length recombinant human N-terminal GST-tagged PDE8A1 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-AMP as substrate after 1 hr by fluorescence polarization assay
50003148	1	ChEMBL_1796381 (CHEMBL4268498)	Reversible competitive inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by Dixon plot analysis
50003148	2	ChEMBL_1796387 (CHEMBL4268504)	Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50003148	3	ChEMBL_1796385 (CHEMBL4268502)	Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by amplex red-based fluorescence assay
50003148	4	ChEMBL_1796384 (CHEMBL4268501)	Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by amplex red-based fluorescence assay
50003148	5	ChEMBL_1796392 (CHEMBL4268509)	Inhibition of human BACE1 using rhodamine-EVNLDAEFK-quencher as substrate after 60 mins by FRET assay
50003148	6	ChEMBL_1796388 (CHEMBL4268505)	Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50003148	7	ChEMBL_1796395 (CHEMBL4268512)	Reversible competitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by Dixon plot analysis
50003148	8	ChEMBL_1796398 (CHEMBL4268515)	Mixed type inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by Dixon plot analysis
50003149	1	ChEMBL_1796416 (CHEMBL4268533)	Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate measured after 90 mins by fluorescence assay
50003149	2	ChEMBL_1796417 (CHEMBL4268534)	Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate measured after 90 mins by fluorescence assay
50003150	1	ChEMBL_1796482 (CHEMBL4268599)	Inhibition of VEGFR2 (unknown origin)
50003150	2	ChEMBL_1796481 (CHEMBL4268598)	Inhibition of c-MET (unknown origin)
50003150	3	ChEMBL_1796438 (CHEMBL4268555)	Inhibition of TPR-tagged met (unknown origin) expressed in mouse BAF3 cells assessed as inhibition of cell proliferation after 72 hrs by MTT assay
50003150	4	ChEMBL_1796446 (CHEMBL4268563)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50003150	5	ChEMBL_1796447 (CHEMBL4268564)	Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA
50003151	1	ChEMBL_1796483 (CHEMBL4268600)	Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incubated for 30 mins by scintillation counting method
50003151	2	ChEMBL_1796506 (CHEMBL4268623)	Inhibition of CYP3A4 (unknown origin)
50003151	3	ChEMBL_1796507 (CHEMBL4268624)	Inhibition of CYP2C9 (unknown origin)
50003151	4	ChEMBL_1796510 (CHEMBL4268627)	Inhibition of CYP2A6 (unknown origin)
50003151	5	ChEMBL_1796504 (CHEMBL4268621)	Inhibition of rat liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incubated for 30 mins by scintillation counting method
50003151	6	ChEMBL_1796511 (CHEMBL4268628)	Inhibition of CYP2C19 (unknown origin)
50003151	7	ChEMBL_1796484 (CHEMBL4268601)	Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incubated for 30 mins by scintillation counting method
50003151	8	ChEMBL_1796486 (CHEMBL4268603)	Inhibition of delta-5 fatty acid desaturase (unknown origin)
50003151	9	ChEMBL_1796508 (CHEMBL4268625)	Inhibition of CYP2D6 (unknown origin)
50003151	10	ChEMBL_1796509 (CHEMBL4268626)	Inhibition of CYP1A2 (unknown origin)
50003152	1	ChEMBL_1796578 (CHEMBL4268695)	Inhibition of LCK (unknown origin)
50003152	2	ChEMBL_1796566 (CHEMBL4268683)	Inhibition of recombinant human N-terminal His6-tagged SYK expressed in baculovirus expression system using Biotin-AAAEEIYGEI as substrate after 60 mins by TR-FRET assay
50003152	3	ChEMBL_1796567 (CHEMBL4268684)	Inhibition of recombinant human FLAG/His6-tagged Aurora-B (2 to 344 residues)/GST-tagged INCENP preincubated for 30 mins followed by 5FAM-PKA-tide substrate addition after 120 mins by fluorescence polarization assay
50003152	4	ChEMBL_1796568 (CHEMBL4268685)	Inhibition of SYK in human Ramos B cells assessed as reduction in anti-human IgM Fab2 fragment-induced ERK phosphorylation preincubated for 30 mins followed by IgM stimulation for 2 hrs by electro-chemiluminescence assay
50003152	5	ChEMBL_1796574 (CHEMBL4268691)	Inhibition of Aurora-A (unknown origin)
50003152	6	ChEMBL_1796579 (CHEMBL4268696)	Inhibition of LRRK2 (unknown origin)
50003152	7	ChEMBL_1796575 (CHEMBL4268692)	Inhibition of VEGFR2 (unknown origin)
50003152	8	ChEMBL_1796576 (CHEMBL4268693)	Inhibition of JAK2 (unknown origin)
50003152	9	ChEMBL_1796577 (CHEMBL4268694)	Inhibition of GSK3beta (unknown origin)
50003153	1	ChEMBL_1796588 (CHEMBL4268705)	Inhibition of MDM2 (unknown origin)
50003153	2	ChEMBL_1796587 (CHEMBL4268704)	Inhibition of p53-MDM2 interaction (unknown origin) by HTRF assay
50003154	1	ChEMBL_1796598 (CHEMBL4268715)	Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductase as substrate after 60 mins by spectrophotometric method
50003155	1	ChEMBL_1796639 (CHEMBL4268756)	Inhibition of human c-Src using KVEKIGEGTYGVVYK as substrate in presence of [gamma32P]ATP by scintillation counting method
50003156	1	ChEMBL_1796653 (CHEMBL4268770)	Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis
50003156	2	ChEMBL_1796662 (CHEMBL4268779)	Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration of guanine and variable concentrations of PRib-PP as substrate in presence of pyrophosphate by spectrophotometric analysis
50003156	3	ChEMBL_1796654 (CHEMBL4268771)	Inhibition of human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by spectrophotometric analysis
50003156	4	ChEMBL_1796660 (CHEMBL4268777)	Inhibition of recombinant human HGPRT using fixed concentration of guanine and variable concentrations of PRib-PP as substrate by Hanes plot analysis
50003157	1	ChEMBL_1796663 (CHEMBL4268780)	Inhibition of human DAO using D-serine as substrate after 20 mins in presence of FAD
50003158	1	ChEMBL_1796742 (CHEMBL4268859)	Binding affinity to recombinant human N-terminal His6/Sumo-tagged PDK1 (29 to 436 residues) expressed in Escherichia coli BL21
50003160	1	ChEMBL_1796761 (CHEMBL4268878)	Displacement of [125I]-RTI-55 from human SERT expressed in HEK293 cell membranes after 1 hr by gamma counting method
50003161	1	ChEMBL_1796768 (CHEMBL4268885)	Inhibition of Influenza A virus A/Anhui/2005(H5N1) neuraminidase using MUNANA as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50003162	1	ChEMBL_1796789 (CHEMBL4268906)	Inhibition of human kidneyl SGLT2 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition measured after 2 hrs by TopCount method
50003162	2	ChEMBL_1796788 (CHEMBL4268905)	Inhibition of human small intestinal SGLT1 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition measured after 2 hrs by TopCount method
50003162	3	ChEMBL_1796819 (CHEMBL4268936)	Inhibition of rat SGLT1 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition measured after 2 hrs by TopCount method
50003162	4	ChEMBL_1796820 (CHEMBL4268937)	Inhibition of rat SGLT2 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-AMG uptake preincubated for 10 mins followed by [14C]-AMG addition measured after 2 hrs by TopCount method
50003163	1	ChEMBL_1796915 (CHEMBL4269032)	Inhibition of CYP3A4 (unknown origin)
50003163	2	ChEMBL_1796916 (CHEMBL4269033)	Inhibition of CYP2D6 (unknown origin)
50003163	3	ChEMBL_1796917 (CHEMBL4269034)	Inhibition of CYP2C9 (unknown origin)
50003164	1	ChEMBL_1796954 (CHEMBL4269071)	Inhibition of MARK4 (unknown origin) (59 to 368 residues) expressed in Escherichia coli M15 in presence of [gamma-32P]ATP by ATPase assay
50003165	1	ChEMBL_1796971 (CHEMBL4269088)	Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometric analysis
50003165	2	ChEMBL_1796972 (CHEMBL4269089)	Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotometric analysis
50003166	1	ChEMBL_1797043 (CHEMBL4269160)	Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50003166	2	ChEMBL_1797042 (CHEMBL4269159)	Agonist activity at human GAL4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50003166	3	ChEMBL_1797041 (CHEMBL4269158)	Agonist activity at human GAL4 fused PPARalpha-LBD expressed in human HepG2 cells after 18 hrs by luciferase reporter gene assay
50003166	4	ChEMBL_1797056 (CHEMBL4269173)	Agonist activity at PPARdelta (unknown origin)
50003166	5	ChEMBL_1797053 (CHEMBL4269170)	Agonist activity at FFA1 (unknown origin)
50003166	6	ChEMBL_1797040 (CHEMBL4269157)	Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ flux after 1 hr by Fluo4-AM dye based FLIPR assay
50003166	7	ChEMBL_1797055 (CHEMBL4269172)	Agonist activity at PPARgamma (unknown origin)
50003166	8	ChEMBL_1797054 (CHEMBL4269171)	Agonist activity at PPARalpha (unknown origin)
50003168	1	ChEMBL_1797058 (CHEMBL4269175)	Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by substrate addition and measured after 15 to 20 mins by spectrophotometric method
50003168	2	ChEMBL_1797057 (CHEMBL4269174)	Inhibition of human TNAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by substrate addition and measured after 15 to 20 mins by spectrophotometric method
50003169	1	ChEMBL_1797065 (CHEMBL4269182)	Inhibition of CBP (unknown origin) in presence of [3H]-acetyl-CoA
50003169	2	ChEMBL_1797097 (CHEMBL4269214)	Inhibition of recombinant FLAG-tagged human PCAF expressed in Baculovirus expression system using histone peptide as substrate after 10 mins in presence of [14C]-acetyl CoA by phosphorimaging analysis
50003169	3	ChEMBL_1797102 (CHEMBL4269219)	Inhibition of recombinant His6-tagged human P300 expressed in Baculovirus-infected Sf21 cells using histone peptide as substrate after 10 mins in presence of [14C]-acetyl CoA by liquid scintillation counting analysis
50003169	4	ChEMBL_1797109 (CHEMBL4269226)	Inhibition of recombinant C-terminal FLAG-tagged human GCN5 expressed in a Baculovirus-infected Sf9 cell expression system
50003169	5	ChEMBL_1797064 (CHEMBL4269181)	Inhibition of p300 (unknown origin) using human histone as substrate measured after 60 mins in presence of [3H]-acetyl-CoA by microbeta counting method
50003169	6	ChEMBL_1797099 (CHEMBL4269216)	Inhibition of recombinant human P300/CBP expressed in Baculovirus expression system using histone as substrate after 10 mins in presence of [3H]-acetyl-CoA by liquid scintillation counting analysis
50003169	7	ChEMBL_1797098 (CHEMBL4269215)	Inhibition of Tetrahymena Gcn5
50003169	8	ChEMBL_1797108 (CHEMBL4269225)	Inhibition of recombinant human CBP catalytic domain
50003169	9	ChEMBL_1797095 (CHEMBL4269212)	Inhibition of recombinant human GCN5 using histone peptide as substrate in presence of [14C]-acetyl CoA by microbeta counting method
50003169	10	ChEMBL_1797096 (CHEMBL4269213)	Inhibition of recombinant FLAG-tagged human P300 expressed in Baculovirus expression system using histone peptide as substrate after 10 mins in presence of [14C]-acetyl CoA by phosphorimaging analysis
50003169	11	ChEMBL_1797100 (CHEMBL4269217)	Inhibition of recombinant full-length His6-tagged human P300 expressed in Baculovirus-infected Sf21 cells using histone as substrate after 10 mins in presence of [3H]-acetyl-CoA by autoradiographic analysis
50003169	12	ChEMBL_1797101 (CHEMBL4269218)	Inhibition of recombinant FLAG epitope-tagged human PCAF expressed in Baculovirus-infected Sf21 cells using histone as substrate after 10 mins in presence of [3H]-acetyl-CoA by autoradiographic analysis
50003169	13	ChEMBL_1797103 (CHEMBL4269220)	Inhibition of recombinant FLAG epitope-tagged human PCAF expressed in Baculovirus-infected Sf21 cells using histone peptide as substrate after 10 mins in presence of [14C]-acetyl CoA by liquid scintillation counting analysis
50003169	14	ChEMBL_1797104 (CHEMBL4269221)	Inhibition of Tip60 (unknown origin)
50003169	15	ChEMBL_1797105 (CHEMBL4269222)	Inhibition of MOF (unknown origin)
50003169	16	ChEMBL_1797110 (CHEMBL4269227)	Inhibition of P300 (unknown origin)
50003169	17	ChEMBL_1797111 (CHEMBL4269228)	Inhibition of human P300 bromodomain HAT-C/H3 domain using histone as substrate in presence of acetyl-CoA by TR-FRET analysis
50003169	18	ChEMBL_1797107 (CHEMBL4269224)	Inhibition of recombinant His-tagged human PCAF catalytic domain expressed in Baculovirus-infected Sf9 cells using histone H3 as substrate after 10 mins in presence of acetyl-CoA by time-resolved fluorescence analysis
50003169	19	ChEMBL_1797106 (CHEMBL4269223)	Inhibition of N-terminal His-GST--tagged human P300 expressed in Baculovirus-infected Sf9 cells
50003170	1	ChEMBL_1797133 (CHEMBL4269250)	Inhibition of human SGLT2 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-methyl-alpha-D-glucopyranoside uptake after 1 hr by microbeta counting method
50003170	2	ChEMBL_1797132 (CHEMBL4269249)	Inhibition of human SGLT1 expressed in CHOK1 cells assessed as reduction in Na-dependent [14C]-methyl-alpha-D-glucopyranoside uptake after 30 mins by microbeta counting method
50003171	1	ChEMBL_1797153 (CHEMBL4269270)	Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence anisotropy
50003171	2	ChEMBL_1797157 (CHEMBL4269274)	Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA in presence of 0.01% Triton-X-100 by fluorescence anisotropy
50003172	1	ChEMBL_1797185 (CHEMBL4269302)	Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD
50003172	2	ChEMBL_1797186 (CHEMBL4269303)	Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD
50003172	3	ChEMBL_1797187 (CHEMBL4269304)	Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD
50003173	1	ChEMBL_1797233 (CHEMBL4269350)	Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50003173	2	ChEMBL_1797234 (CHEMBL4269351)	Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50003173	3	ChEMBL_1797236 (CHEMBL4269353)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50003173	4	ChEMBL_1797235 (CHEMBL4269352)	Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay
50003174	1	ChEMBL_1797268 (CHEMBL4269385)	Inhibition of AChE in Swiss Webster mouse cerebral homogenate using acetylthiocholine iodide as substrate preincubated for 10 mins followed substrate addition measured after 10 mins by Ellman's method
50003174	2	ChEMBL_1797269 (CHEMBL4269386)	Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate addition measured after 10 mins by Ellman's method
50018286	35	ChEMBL_2268751	Inhibition of CK2 (unknown origin)
50003175	2	ChEMBL_1797279 (CHEMBL4269396)	Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN carbohydrate binding domain (unknown origin) expressed in Escherichia coli preincubated for 1 hr followed by TMB substrate addition measured after 30 mins by ELISA
50003175	3	ChEMBL_1797280 (CHEMBL4269397)	Inhibition of binding of trimannoside containing horseradish peroxidase to DC-SIGN extracellular domain (unknown origin) expressed in Escherichia coli preincubated for 1 hr followed by TMB substrate addition measured after 5 mins by ELISA
50018286	36	ChEMBL_2268752	Inhibition of recombinant HDAC1 (unknown origin) using Fluor-de-Lys as substrate incubated for 10 mins by fluorescence based analysis
50018286	37	ChEMBL_2268753	Inhibition of full length human BRAF V600E mutant using His-tagged full length human MEK1 (K97R) as substrate incubated for 20 mins by [gamma-33P]ATP based filter-binding method
50003177	1	ChEMBL_1797286 (CHEMBL4269403)	Antagonist activity at ER-beta (unknown origin)
50003178	1	ChEMBL_1797287 (CHEMBL4269404)	Agonist activity at human NLRP3
50003178	2	ChEMBL_1797288 (CHEMBL4269405)	Agonist activity at TLR7 (unknown origin) expressed in HEK-Blue cells
50003178	3	ChEMBL_1797289 (CHEMBL4269406)	Agonist activity at TLR8 (unknown origin) expressed in HEK-Blue cells
50003179	1	ChEMBL_1797351 (CHEMBL4269468)	Displacement of [3H]N-Methylspiperone from human dopamine D4 receptor expressed in HEK cell membranes
50003179	2	ChEMBL_1797349 (CHEMBL4269466)	Displacement of [3H]N-Methylspiperone from human dopamine D2 receptor expressed in fibroblasts
50003179	3	ChEMBL_1797348 (CHEMBL4269465)	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEKT cell membranes
50003179	4	ChEMBL_1797350 (CHEMBL4269467)	Displacement of [3H]N-Methylspiperone from human dopamine D3 receptor expressed in HEKT cell membranes
50003179	5	ChEMBL_1797358 (CHEMBL4269475)	Antagonist activity at human dopamine D3 receptor assessed as inhibition of beta-arrestin recruitment by Tango assay
50003181	1	ChEMBL_1797400 (CHEMBL4269517)	Inhibition of N-terminal His/flag-tagged HIV1 integrase expressed in Escherichia coli BL21 (DE3) incubated for 2.5 hrs by HTRF assay
50003183	1	ChEMBL_1797402 (CHEMBL4269519)	Inhibition of PAD4 (unknown origin) preincubated for 15 mins followed by BAEE addition measured after 15 mins by spectrophotometric method
50003184	1	ChEMBL_1797425 (CHEMBL4269542)	Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting method
50003184	2	ChEMBL_1797423 (CHEMBL4269540)	Antagonist activity at 5HT2B (unknown origin) expressed in CHOK1 cells assessed as inhibition of agonist-induced effect preincubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent agonist addition measured for 100 secs by fluorescence assay
50003185	1	ChEMBL_1797477 (CHEMBL4269594)	Inhibition of recombinant human CA13 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	2	ChEMBL_1797471 (CHEMBL4269588)	Inhibition of recombinant human CA5a preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	3	ChEMBL_1797476 (CHEMBL4269593)	Inhibition of recombinant human CA12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	4	ChEMBL_1797473 (CHEMBL4269590)	Inhibition of recombinant human CA6 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	5	ChEMBL_1797470 (CHEMBL4269587)	Inhibition of recombinant human CA4 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	6	ChEMBL_1797468 (CHEMBL4269585)	Inhibition of recombinant human CA2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	7	ChEMBL_1797475 (CHEMBL4269592)	Inhibition of recombinant human CA9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	8	ChEMBL_1797469 (CHEMBL4269586)	Inhibition of recombinant human CA3 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	9	ChEMBL_1797474 (CHEMBL4269591)	Inhibition of recombinant human CA7 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	10	ChEMBL_1797478 (CHEMBL4269595)	Inhibition of recombinant human CA14 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	11	ChEMBL_1797472 (CHEMBL4269589)	Inhibition of recombinant human CA5b preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003185	12	ChEMBL_1797467 (CHEMBL4269584)	Inhibition of recombinant human CA1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay
50003186	1	ChEMBL_1797482 (CHEMBL4269599)	Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measured after 5 hrs
50003186	2	ChEMBL_1797483 (CHEMBL4269600)	Inhibition of human ERG expressed in CHO cells by Qpatch clamp assay
50003186	3	ChEMBL_1797481 (CHEMBL4269598)	Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate incubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence polarization assay
50003186	4	ChEMBL_1797531 (CHEMBL4269648)	Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measured after 5 hrs
50003189	1	ChEMBL_1797534 (CHEMBL4269651)	Inhibition of human CA2 by Lineweaver-Burk plot analysis
50003189	2	ChEMBL_1797535 (CHEMBL4269652)	Inhibition of human CA9 by Lineweaver-Burk plot analysis
50003189	3	ChEMBL_1797533 (CHEMBL4269650)	Inhibition of human CA1 by Lineweaver-Burk plot analysis
50003189	4	ChEMBL_1797536 (CHEMBL4269653)	Inhibition of human CA12 by Lineweaver-Burk plot analysis
50003189	5	ChEMBL_1797540 (CHEMBL4269657)	Inhibition of human COX2 expressed in baculovirus infected sf21 cells assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated for 3 to 5 mins followed by arachidonic acid addition measured for 25 secs by spectrophotometric assay
50003189	6	ChEMBL_1797537 (CHEMBL4269654)	Inhibition of COX1 in human platelet microsomes assessed as reduction in formation of oxidized TMPD using arachidonic acid as substrate preincubated for 3 to 5 mins followed by arachidonic acid addition measured for 25 secs by spectrophotometric assay
50003190	1	ChEMBL_1797544 (CHEMBL4269661)	Agonist activity at recombinant full length human LRH1 expressed in HeLa cells after 24 hrs by dual-glo luciferase reporter gene assay
50003191	1	ChEMBL_1797583 (CHEMBL4269700)	Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at S473 residue
50003191	2	ChEMBL_1797573 (CHEMBL4269690)	Inhibition of human ERG by whole cell electrophysiology analysis
50003191	3	ChEMBL_1797582 (CHEMBL4269699)	Inhibition of mTOR (unknown origin)
50003191	4	ChEMBL_1797584 (CHEMBL4269701)	Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in 70S6K S235/236 phosphorylation
50003191	5	ChEMBL_1797586 (CHEMBL4269703)	Inhibition of ATM phosphorylation at Ser1981 residue in human HT-29 cells using ionizing radiation
50003191	6	ChEMBL_1797585 (CHEMBL4269702)	Inhibition of PI3Kalpha in human BT-474 cells assessed as decrease in AKT phosphorylation at T308 residue
50003191	7	ChEMBL_1797587 (CHEMBL4269704)	Inhibition of DNA-PK phosphorylation at Ser2056 residue in human HT-29 cells using ionizing radiation
50003191	8	ChEMBL_1797560 (CHEMBL4269677)	Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measured after 1 hr by ELISA
50003191	9	ChEMBL_1797568 (CHEMBL4269685)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of NADPH by LC-MS analysis
50003191	10	ChEMBL_1797561 (CHEMBL4269678)	Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay
50003191	11	ChEMBL_1797570 (CHEMBL4269687)	Inhibition of CYP2C19 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of NADPH by LC-MS analysis
50003191	12	ChEMBL_1797565 (CHEMBL4269682)	Inhibition of PI3Kalpha (unknown origin)
50003191	13	ChEMBL_1797569 (CHEMBL4269686)	Inhibition of CYP1A2 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of NADPH by LC-MS analysis
50003191	14	ChEMBL_1797571 (CHEMBL4269688)	Inhibition of CYP2C9 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of NADPH by LC-MS analysis
50003191	15	ChEMBL_1797572 (CHEMBL4269689)	Inhibition of CYP2D6 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of NADPH by LC-MS analysis
50003192	1	ChEMBL_1797688 (CHEMBL4269805)	Inhibition of human AChE using acetylthiocholine as substrate
50003192	2	ChEMBL_1797689 (CHEMBL4269806)	Inhibition of human BuChE using butyrylhiocholine as substrate
50003192	3	ChEMBL_1797686 (CHEMBL4269803)	Inhibition of human CE1 using o-NPA as substrate
50003193	1	ChEMBL_1797704 (CHEMBL4269821)	Inhibition of soluble epoxide hydrolase (unknown origin) using NEPC as substrate after 1 hr by fluorescence assay
50003194	1	ChEMBL_1797712 (CHEMBL4269829)	Transactivation of human full length PPARgamma expressed in HEK293 cells after 18 hrs by luciferase reporter gene based luminescence assay
50003195	1	ChEMBL_1797788 (CHEMBL4269905)	Inhibition of human fully glycosylated ACE N-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by fluorescence spectrophotometric analysis
50003195	2	ChEMBL_1797792 (CHEMBL4269909)	Inhibition of human fully glycosylated ACE N-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by Morrison's plot analysis
50003195	3	ChEMBL_1797789 (CHEMBL4269906)	Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by fluorescence spectrophotometric analysis
50003195	4	ChEMBL_1797793 (CHEMBL4269910)	Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by Morrison's plot analysis
50003195	5	ChEMBL_1797790 (CHEMBL4269907)	Inhibition of human fully glycosylated ACE N-terminal domain expressed in CHO cells using MCA-RPPGFSAFK(Dnp)-OH as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by fluorescence spectrophotometric analysis
50003195	6	ChEMBL_1797791 (CHEMBL4269908)	Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using MCA-RPPGFSAFK(Dnp)-OH as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by fluorescence spectrophotometric analysis
50003196	1	ChEMBL_1797801 (CHEMBL4269918)	Binding affinity to human PI3Kdelta after 1 hr by KINOMEscan assay
50003196	2	ChEMBL_1797803 (CHEMBL4269920)	Binding affinity to human mTOR after 1 hr by KINOMEscan assay
50003196	3	ChEMBL_1797798 (CHEMBL4269915)	Binding affinity to human PI3Kalpha after 1 hr by KINOMEscan assay
50003196	4	ChEMBL_1797829 (CHEMBL4269946)	Binding affinity to human PI3Kalpha diluted 30 fold and equilibrate for 6 hrs by scan-kinetic platform assay
50003196	5	ChEMBL_1797833 (CHEMBL4269950)	Binding affinity to human PI3Kgamma diluted 30 fold and equilibrate for 6 hrs by scan-kinetic platform assay
50003196	6	ChEMBL_1797831 (CHEMBL4269948)	Binding affinity to human PI3Kgamma equilibrate for 1 hr followed by 30 fold dilution and re-equilibrate for 5 hrs by scan-kinetic platform assay
50003196	7	ChEMBL_1797826 (CHEMBL4269943)	Binding affinity to human PI3Kalpha equilibrate for 6 hrs by scan-kinetic platform assay
50003196	8	ChEMBL_1797802 (CHEMBL4269919)	Binding affinity to human LCK after 1 hr by KINOMEscan assay
50003196	9	ChEMBL_1797800 (CHEMBL4269917)	Binding affinity to human PI3Kgamma after 1 hr by KINOMEscan assay
50003196	10	ChEMBL_1797799 (CHEMBL4269916)	Binding affinity to human PI3Kbeta after 1 hr by KINOMEscan assay
50003196	11	ChEMBL_1797827 (CHEMBL4269944)	Binding affinity to human PI3Kalpha equilibrate for 1 hr followed by 30 fold dilution and re-equilibrate for 5 hrs by scan-kinetic platform assay
50003196	12	ChEMBL_1797828 (CHEMBL4269945)	Binding affinity to human PI3Kalpha equilibrate for 1 hr by scan-kinetic platform assay
50003196	13	ChEMBL_1797830 (CHEMBL4269947)	Binding affinity to human PI3Kgamma equilibrate for 6 hrs by scan-kinetic platform assay
50003196	14	ChEMBL_1797832 (CHEMBL4269949)	Binding affinity to human PI3Kgamma equilibrate for 1 hr by scan-kinetic platform assay
50003197	1	ChEMBL_1797900 (CHEMBL4270017)	Binding affinity to Staphylococcus aureus SaeS kinase domain after 15 mins by fluorescence spectrophotometry
50003197	2	ChEMBL_1797897 (CHEMBL4270014)	Inhibition of recombinant Staphylococcus aureus AgrC autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by [gamma-32P]-ATP addition measured after 15 mins by coomassie-brilliant blue staining based SDS PAGE/autoradiographic analysis
50003197	3	ChEMBL_1797896 (CHEMBL4270013)	Inhibition of recombinant Staphylococcus aureus SaeS autophosphorylation expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by [gamma-32P]-ATP addition measured after 15 mins by coomassie-brilliant blue staining based SDS PAGE//autoradiographic analysis
50003198	1	ChEMBL_1797910 (CHEMBL4270027)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate/NADPH addition measured after 10 mins by LC-MS/MS analysis
50003198	2	ChEMBL_1797909 (CHEMBL4270026)	Inhibition of recombinant human BACE1 expressed in HEK293 cells
50003198	3	ChEMBL_1797911 (CHEMBL4270028)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 30 mins in presence of NADPH measured by LC-MS/MS analysis
50003202	1	ChEMBL_1797938 (CHEMBL4270055)	Irreversible inhibition of 0.4 uM KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 100 uM alpha-KG by succinate-glo demethylase assay
50003202	2	ChEMBL_1797932 (CHEMBL4270049)	Irreversible inhibition of recombinant KDM5B ARID/PhD1 domain deletion mutant (1 to 755 residues) (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K4me3 as substrate preincubated for 10 mins followed by substrate/alphaKG/(NH4)2Fe(SO4)2 addition measured after 1 hr by alphaLISA assay
50003202	3	ChEMBL_1797935 (CHEMBL4270052)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 10 uM alpha-KG by succinate-glo demethylase assay
50003202	4	ChEMBL_1797937 (CHEMBL4270054)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 1000 uM alpha-KG by succinate-glo demethylase assay
50003202	5	ChEMBL_1797930 (CHEMBL4270047)	Inhibition of KDM6A (880 to 1401 residues) (unknown origin) using H3 ( 21 to 44 residues) K27me3 as substrate preincubated for 15 min followed by substrate addition measured after 15 mins by FDH-coupled demethylase assay
50003202	6	ChEMBL_1797928 (CHEMBL4270045)	Inhibition of KDM4A (1 to 350 residues) (unknown origin) using H3 ( 1 to 15 residues) K9me3 as substrate preincubated for 15 min followed by substrate addition measured after 15 mins by FDH-coupled demethylase assay
50003202	7	ChEMBL_1797931 (CHEMBL4270048)	Binding affinity to KDM5A ARID/PhD1 domain deletion mutant (1 to 588 residues) (unknown origin) by ITC assay
50003202	8	ChEMBL_1797933 (CHEMBL4270050)	Irreversible inhibition of recombinant KDM4A (1 to 350 residues) (unknown origin) expressed in Escherichia coli using H3 (1 to 21 residues) K9me3 as substrate preincubated for 10 mins followed by substrate/alphaKG/(NH4)2Fe(SO4)2 addition measured after 1 hr by alphaLISA assay
50003202	9	ChEMBL_1797941 (CHEMBL4270058)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using alpha-KG measured immediately by succinate-glo demethylase assay
50003202	10	ChEMBL_1797936 (CHEMBL4270053)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 100 uM alpha-KG by succinate-glo demethylase assay
50003202	11	ChEMBL_1797940 (CHEMBL4270057)	Irreversible inhibition of 1.6 uM KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 100 uM alpha-KG by succinate-glo demethylase assay
50003202	12	ChEMBL_1797942 (CHEMBL4270059)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using alpha-KG by succinate-glo demethylase assay
50003202	13	ChEMBL_1797939 (CHEMBL4270056)	Irreversible inhibition of 0.8 uM KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using 100 uM alpha-KG by succinate-glo demethylase assay
50003202	14	ChEMBL_1797929 (CHEMBL4270046)	Inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin) using H3 ( 1 to 24 residues) K4me3 as substrate preincubated for 15 min followed by substrate addition measured after 15 mins by FDH-coupled demethylase assay
50003202	15	ChEMBL_1797944 (CHEMBL4270061)	Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin)
50003203	1	ChEMBL_1797977 (CHEMBL4270094)	Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compound addition by spectrometric analysis
50003203	2	ChEMBL_1797975 (CHEMBL4270092)	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding after 45 mins by spectrometric analysis
50003203	3	ChEMBL_1797974 (CHEMBL4270091)	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured MDH refolding after 20 to 40 mins by spectrometric analysis
50003203	4	ChEMBL_1797985 (CHEMBL4270102)	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding after 40 to 60 mins by spectrometric analysis
50003204	1	ChEMBL_1798008 (CHEMBL4270125)	Inhibition of human SIRT6 preincubated for 5 mins in presence of substrate followed enzyme addition measured after 5 to 10 mins in presence of NAD by fluorescence spectrophotometry
50003204	2	ChEMBL_1798006 (CHEMBL4270123)	Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins in presence of ADP-ribose and acetylated H3K9 peptide by fluorescence-based SDS-denaturation assay
50003204	3	ChEMBL_1798005 (CHEMBL4270122)	Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins in presence of ADP-ribose by fluorescence-based SDS-denaturation assay
50003204	4	ChEMBL_1798009 (CHEMBL4270126)	Inhibition of human recombinant His-tagged full-length Sirt1 expressed in Escherichia coli BL21 DE3 Rosetta2 using acetyl-p53-peptide as substrate by coupled deacetylation assay
50003204	5	ChEMBL_1798004 (CHEMBL4270121)	Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins by fluorescence-based SDS-denaturation assay
50003204	6	ChEMBL_1798003 (CHEMBL4270120)	Inhibition of full length SIRT6 (unknown origin) using acetylated H3K9 peptide as substrate after 2 hrs in presence of NAD
50003204	7	ChEMBL_1798007 (CHEMBL4270124)	Binding affinity to recombinant human full length SIRT6 (1 to 355 residues) expressed in Escherichia coli M15 after 20 mins in presence of NAM by fluorescence-based SDS-denaturation assay
50003205	1	ChEMBL_1798035 (CHEMBL4270152)	Inhibition of thrombin in human platelet rich plasma assessed as reduction in thrombin-induced platelet aggregation after 5 mins
50003205	2	ChEMBL_1798022 (CHEMBL4270139)	Uncompetitive inhibition of human thrombin using T1637 as substrate by Michaelis-Menten plot analysis
50003205	3	ChEMBL_1798037 (CHEMBL4270154)	Inhibition of thrombin in human platelet rich plasma assessed as reduction in arachidonic acid-induced platelet aggregation after 5 mins
50003205	4	ChEMBL_1798038 (CHEMBL4270155)	Inhibition of thrombin in human platelet rich plasma assessed as reduction in ADP-induced platelet aggregation after 5 mins
50003205	5	ChEMBL_1798036 (CHEMBL4270153)	Inhibition of thrombin in human washed platelets assessed as reduction in thrombin-induced platelet aggregation after 5 mins
50003206	1	ChEMBL_1798087 (CHEMBL4270204)	Inhibition of GIRK-1/4 channel (unknown origin) expressed in HEK293 cells by automated patch clamp method
50003207	1	ChEMBL_1798119 (CHEMBL4270236)	Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 20 uM ATP as substrate after 90 mins by luminescence assay
50003207	2	ChEMBL_1798112 (CHEMBL4270229)	Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 100 uM ATP as substrate after 90 mins by luminescence assay
50003207	3	ChEMBL_1798117 (CHEMBL4270234)	Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 6 hrs by microscopic analysis
50003207	4	ChEMBL_1798116 (CHEMBL4270233)	Inhibition of human p97 in human HeLa cells harboring UbG76V-GFP assessed as accumulation of UbG76V after 1 hr by microscopic analysis
50003208	1	ChEMBL_1798123 (CHEMBL4270240)	Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP accumulation by LANCE assay
50003208	2	ChEMBL_1798121 (CHEMBL4270238)	Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay
50003208	3	ChEMBL_1798125 (CHEMBL4270242)	Inhibition of MK-499 binding to human ERG
50003208	4	ChEMBL_1798158 (CHEMBL4270275)	Inhibition of human CYP3A4
50003208	5	ChEMBL_1798132 (CHEMBL4270249)	Antagonist activity at human SSTR1 expressed in CHO-K1 cell membranes
50003208	6	ChEMBL_1798122 (CHEMBL4270239)	Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay
50003208	7	ChEMBL_1798140 (CHEMBL4270257)	Inhibition of prostanoid DP receptor (unknown origin)
50003208	8	ChEMBL_1798124 (CHEMBL4270241)	Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP accumulation by LANCE assay
50003208	9	ChEMBL_1798133 (CHEMBL4270250)	Antagonist activity at human SSTR3 expressed in CHO-K1 cell membranes
50003208	10	ChEMBL_1798137 (CHEMBL4270254)	Inhibition of IKs (unknown origin)
50003208	11	ChEMBL_1798138 (CHEMBL4270255)	Inhibition of Cav1.2 (unknown origin)
50003208	12	ChEMBL_1798160 (CHEMBL4270277)	Inhibition of human CYP2C9
50003208	13	ChEMBL_1798159 (CHEMBL4270276)	Inhibition of human CYP2D6
50003208	14	ChEMBL_1798139 (CHEMBL4270256)	Inhibition of Nav1.5 (unknown origin)
50003208	15	ChEMBL_1798135 (CHEMBL4270252)	Antagonist activity at human SSTR4 expressed in CHO-K1 cell membranes
50003208	16	ChEMBL_1798134 (CHEMBL4270251)	Antagonist activity at human SSTR2 expressed in CHO-K1 cell membranes
50003210	1	ChEMBL_1798195 (CHEMBL4270312)	Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes
50003210	2	ChEMBL_1798205 (CHEMBL4270322)	Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition measured after 1 hr by LANCE assay
50003210	3	ChEMBL_1798207 (CHEMBL4270324)	Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition measured after 1 hr by LANCE assay
50003210	4	ChEMBL_1798211 (CHEMBL4270328)	Inhibition of Nav1.5 (unknown origin)
50003210	5	ChEMBL_1798210 (CHEMBL4270327)	Inhibition of Cav1.2 (unknown origin)
50003210	6	ChEMBL_1798209 (CHEMBL4270326)	Inhibition of human ERG
50003211	1	ChEMBL_1798231 (CHEMBL4270348)	Inhibition of recombinant human PSMA using [3H]NAAG as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by liquid scintillation method
50003212	1	ChEMBL_1798297 (CHEMBL4270414)	Inhibition of TGFbetaR1 T204D mutant (unknown origin) kinase domain after 1 hr by HTRF assay
50003212	2	ChEMBL_1798319 (CHEMBL4270436)	Inhibition of p38alpha (unknown origin)
50003212	3	ChEMBL_1798310 (CHEMBL4270427)	Inhibition of CYP2D6 (unknown origin)
50003212	4	ChEMBL_1798308 (CHEMBL4270425)	Inhibition of CYP1A2 (unknown origin)
50003212	5	ChEMBL_1798303 (CHEMBL4270420)	Inhibition of TGFbetaR1 in human Treg cells assessed as reduction in TGFbeta-stimulated induction of Treg cells by measuring FOXP3/CD25 expression level after 5 days by FACS analysis
50003212	6	ChEMBL_1798301 (CHEMBL4270418)	Inhibition of TGFbetaR1 in NHLF assessed as reduction in TGFbeta-stimulated TSMAD phosphorylation preincubated for 1 hr followed by TGFbeta addition measured after 15 mins
50003212	7	ChEMBL_1798298 (CHEMBL4270415)	Inhibition of wild type TGFbetaR2 (unknown origin) kinase domain after 1 hr by HTRF assay
50003212	8	ChEMBL_1798312 (CHEMBL4270429)	Inhibition of CYP2C8 (unknown origin)
50003212	9	ChEMBL_1798318 (CHEMBL4270435)	Inhibition of ALK4 (unknown origin)
50003212	10	ChEMBL_1798304 (CHEMBL4270421)	Inhibition of CYP2C19 (unknown origin)
50003212	11	ChEMBL_1798302 (CHEMBL4270419)	Inhibition of TGFbetaR1 in human T cells assessed as reduction in TGFbeta-stimulated PSMAD3 phosphorylation preincubated for 1 hr followed by TGFbeta addition measured after 90 mins by AlphaLisa assay
50003212	12	ChEMBL_1798311 (CHEMBL4270428)	Inhibition of CYP3A4 (unknown origin)
50003212	13	ChEMBL_1798309 (CHEMBL4270426)	Inhibition of CYP2C9 (unknown origin)
50003213	1	ChEMBL_1798330 (CHEMBL4270447)	Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50003213	2	ChEMBL_1798329 (CHEMBL4270446)	Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50003213	3	ChEMBL_1798331 (CHEMBL4270448)	Inhibition of EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA
50003214	1	ChEMBL_1798384 (CHEMBL4270676)	Inhibition of mouse ABL expressed in Sf9 insect cells using GGEAIYAAPFKK as substrate in presence of [gamma-33P]ATP
50003214	2	ChEMBL_1798382 (CHEMBL4270674)	Inhibition of human ALK5 expressed in Sf9 insect cells using casein as substrate in presence of [gamma-33P]ATP
50003214	3	ChEMBL_1798383 (CHEMBL4270675)	Inhibition of human CDK2/cyclin E expressed in Sf9 insect cells using histone H1 as substrate in presence of [gamma-33P]ATP
50003216	1	ChEMBL_1798571 (CHEMBL4270863)	Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition and measured after 10 mins by ELISA
50003216	2	ChEMBL_1798566 (CHEMBL4270858)	Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured after 20 mins by ELISA
50003216	3	ChEMBL_1798567 (CHEMBL4270859)	Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured after 20 mins by ELISA
50003217	1	ChEMBL_1798596 (CHEMBL4270888)	Inhibition of MMP3 (unknown origin)
50003218	1	ChEMBL_1798716 (CHEMBL4271008)	Inhibition of wild type N-terminal GST tagged human recombinant EGFR (695 to end amino acids) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) Peptide substrate by ADP-Glo assay
50003218	2	ChEMBL_1798715 (CHEMBL4271007)	Inhibition of N-terminal GST tagged human recombinant EGFR L858R/T790M mutant (695 to end amino acids) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) Peptide substrate by ADP-Glo assay
50003219	1	ChEMBL_1798784 (CHEMBL4271076)	Inhibition of human EGFR L858R mutant expressed in Sf9 cells in presence of 1 mM ATP by HTRF assay
50003219	2	ChEMBL_1798785 (CHEMBL4271077)	Inhibition of human wild type EGFR expressed in Sf9 cells in presence of 1 mM ATP by HTRF assay
50003221	1	ChEMBL_1798884 (CHEMBL4271176)	Inhibition of EGFR (unknown origin)
50003221	2	ChEMBL_1798893 (CHEMBL4271185)	Inhibition of GST-tagged human HER2 catalytic domain expressed in insect cells
50003221	3	ChEMBL_1798896 (CHEMBL4271188)	Inhibition of human EGFR T790M mutant expressed in mouse Ba/F3 cells
50003221	4	ChEMBL_1798892 (CHEMBL4271184)	Inhibition of GST-tagged human EGFR catalytic domain expressed in insect cells
50003221	5	ChEMBL_1798894 (CHEMBL4271186)	Inhibition of human EGFR T790M/L858R mutant expressed in mouse Ba/F3 cells
50003221	6	ChEMBL_1798885 (CHEMBL4271177)	Inhibition of HER2 (unknown origin)
50003221	7	ChEMBL_1798895 (CHEMBL4271187)	Inhibition of human EGFR L858R mutant expressed in mouse Ba/F3 cells
50003221	8	ChEMBL_1798887 (CHEMBL4271179)	Inhibition of EGFR T790M/L858R mutant (unknown origin)
50003222	1	ChEMBL_1798921 (CHEMBL4271213)	Inhibition of 6x-His-tagged human EGFR cytoplasmic domain (645 to 1186 amino acids) assessed as reduction in autophosphorylation pre-incubated for 10 mins and measured after 1 hr by DELFIA/time-resolved fluorometry
50003222	2	ChEMBL_1798912 (CHEMBL4271204)	Inhibition of diphenolase activity of mushroom tyrosinase pre-incubated for 30 mins before L-DOPA substrate addition and measured after 1 min by spectrophotometric assay
50003222	3	ChEMBL_1798939 (CHEMBL4271231)	Inhibition of VEGFR1 (unknown origin) using KKKSPGEYVNIEFG substrate and [33P-g-ATP] incubated for 30 mins
50003224	1	ChEMBL_1798954 (CHEMBL4271246)	Binding affinity to EphA2 (unknown origin)
50003224	2	ChEMBL_1798947 (CHEMBL4271239)	Binding affinity to human EphA2 ligand binding domain (27 to 200 residues) expressed in Escherichia coli Rosetta-gami B(DE3) by ITC
50003224	3	ChEMBL_1798955 (CHEMBL4271247)	Binding affinity to EphA4 ligand binding domain (unknown origin) by ITC
50003224	4	ChEMBL_1798951 (CHEMBL4271243)	Displacement of biotinylated ephrinA1-Fc from recombinant mouse EphA2 Fc chimera protein by ELISA
50003224	5	ChEMBL_1798946 (CHEMBL4271238)	Binding affinity to histidine-tagged mouse EphA2 Fc fusion protein by SPR assay
50003224	6	ChEMBL_1798949 (CHEMBL4271241)	Binding affinity to Fc-tagged EphB4 (unknown origin) assessed as reduction in ephrin-B2 binding by SPR assay
50003224	7	ChEMBL_1798950 (CHEMBL4271242)	Binding affinity to EphB2 (unknown origin) by SPR assay
50003225	1	ChEMBL_1798971 (CHEMBL4271263)	Inhibition of rat GSK3beta expressed in Sf9 cells incubated for 30 mins using GS-1 peptide substrate and [gamma-32P]ATP by scintillation counting method
50003225	2	ChEMBL_1798972 (CHEMBL4271264)	Inhibition of GST-tagged CDK1/cyclin B (unknown origin) expressed in Escherichia coli
50003226	1	ChEMBL_1798984 (CHEMBL4271276)	Inhibition of recombinant human PAK1 by ADP-Glo kinase assay
50003226	2	ChEMBL_1798992 (CHEMBL4271284)	Inhibition of PAK1 (unknown origin)
50003226	3	ChEMBL_1798988 (CHEMBL4271280)	Inhibition of HA-PAK1 (unknown origin) using histone H4 substrate and [gamma-32P] ATP by autoradiography
50003226	4	ChEMBL_1798996 (CHEMBL4271288)	Inhibition of flag-tagged MLK3 (unknown origin) expressed in human HeLa cells assessed as reduction in enzyme autophosphorylation incubated for 20 mins by immunoprecipitatation
50003226	5	ChEMBL_1798989 (CHEMBL4271281)	Inhibition of recombinant human COX2 expressed in baculovirus assessed as reduction in PGE2 synthesis using [3H]arachidonic acid substrate by HPLC analysis
50003226	6	ChEMBL_1798975 (CHEMBL4271267)	Inhibition of partially purified HDAC isolated from human M8 cells enzyme fraction pre-incubated for 5 mins before [3H]acetylated histone addition and measured after 30 mins by scintillation counting method
50003226	7	ChEMBL_1798999 (CHEMBL4271291)	Inhibition of rat brain PKC using RGFR derived peptide substrate
50003226	8	ChEMBL_1798998 (CHEMBL4271290)	Inhibition of GST-tagged PAK3 (unknown origin) expressed in Escherichia coli using peptide PC9 substrate
50003226	9	ChEMBL_1798994 (CHEMBL4271286)	Inhibition of FYN (unknown origin) by cell culture based assay
50003226	10	ChEMBL_1798993 (CHEMBL4271285)	Inhibition of ETK phosphorylation in mouse RAS-3T3 cells incubated for 1 hr by immunoblot
50003226	11	ChEMBL_1799007 (CHEMBL4271299)	Inhibition of PAK1 in human MCF7 cells transfected with constitutively active NH2-terminally truncated C1199 Tiam1 construct
50003226	12	ChEMBL_1798976 (CHEMBL4271268)	Inhibition of PAK1 in v-Ha-RAS-transformed mouse NIH/3T3 cells incubated for 48 hrs by immunoblot analysis
50003226	13	ChEMBL_1798995 (CHEMBL4271287)	Inhibition of PAK1 in v-Ha-RAS-transformed mouse NIH/3T3 cells incubated for 1 hr by immunoblot analysis
50003226	14	ChEMBL_1798977 (CHEMBL4271269)	Inhibition of PAK1 in estrogen-stimulated human MCF7 cells incubated for 48 hrs by immunoblot analysis
50003226	15	ChEMBL_1798981 (CHEMBL4271273)	Inhibition of PAK1 (unknown origin) by cell culture based assay
50003226	16	ChEMBL_1799004 (CHEMBL4271296)	Inhibition of PAK1 in human A549 cells
50003228	1	ChEMBL_1799023 (CHEMBL4271315)	Inhibition of VEGFR3 (unknown origin)
50003228	2	ChEMBL_1799021 (CHEMBL4271313)	Inhibition of VEGFR1 (unknown origin)
50003228	3	ChEMBL_1799014 (CHEMBL4271306)	Inhibition of GST-tagged human VEGFR2 C-terminal domain using (biotin-aminohexyl-EEEEYFELVAKKKK-NH2 substrate incubated for 60 mins by HTRF assay
50003228	4	ChEMBL_1799022 (CHEMBL4271314)	Inhibition of VEGFR2 (unknown origin)
50003229	1	ChEMBL_1799033 (CHEMBL4271325)	Inhibition of CDK2 (unknown origin)
50003229	2	ChEMBL_1799039 (CHEMBL4271331)	Inhibition of recombinant CDK5 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr by liquid scintillation counting method
50003229	3	ChEMBL_1799034 (CHEMBL4271326)	Inhibition of CDK5 (unknown origin)
50003229	4	ChEMBL_1799035 (CHEMBL4271327)	Inhibition of CDK9 (unknown origin)
50003229	5	ChEMBL_1799040 (CHEMBL4271332)	Inhibition of recombinant CDK9 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr by liquid scintillation counting method
50003229	6	ChEMBL_1799031 (CHEMBL4271323)	Inhibition of CDK4 (unknown origin)
50003229	7	ChEMBL_1799032 (CHEMBL4271324)	Inhibition of CDK6 (unknown origin)
50003229	8	ChEMBL_1799036 (CHEMBL4271328)	Inhibition of CDK1 (unknown origin)
50003229	9	ChEMBL_1799037 (CHEMBL4271329)	Inhibition of recombinant CDK1 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr by liquid scintillation counting method
50003229	10	ChEMBL_1799038 (CHEMBL4271330)	Inhibition of recombinant CDK2 (unknown origin) expressed in Sf9 cells using histone H1 derived biotinylated peptide and 33P-ATP incubated for 1 hr by liquid scintillation counting method
50003230	1	ChEMBL_1799118 (CHEMBL4271410)	Inhibition of BTK (unknown origin)
50003230	2	ChEMBL_1799121 (CHEMBL4271413)	Inhibition of BMX (unknown origin)
50003230	3	ChEMBL_1799123 (CHEMBL4271415)	Inhibition of Tel-fused FGFR1 (unknown origin) expressed in mouse Ba/F3 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay
50003230	4	ChEMBL_1799120 (CHEMBL4271412)	Inhibition of BTK in human Ramos cells assessed as reduction in PLCgamma2 phosphorylation at Tyr759 residue by chemiluminescence based assay
50003230	5	ChEMBL_1799119 (CHEMBL4271411)	Inhibition of 3x-FLAG-tagged BTK (unknown origin) expressed in HEK293T cells assessed as reduction in enzyme autophosphorylation at Y551 residue incubated for 1 hr by by Western blot analysis
50003231	1	ChEMBL_1799139 (CHEMBL4271431)	Displacement of [3H]histamine from human H4R expressed in Sf9 cell membranes co-expressed with G protein Gai2 and Gb1gamma2 incubated for 60 mins by liquid scintillation counting method
50003231	2	ChEMBL_1799137 (CHEMBL4271429)	Inhibition of N-terminal His-tagged human PAK4 kinase domain (300 to 591 residues) expressed in Escherichia coli BL21 (DE3)
50003231	3	ChEMBL_1799153 (CHEMBL4271445)	Inhibition of human recombinant CDK5/p25 using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis
50003231	4	ChEMBL_1799157 (CHEMBL4271449)	Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli using thymidine substrate incubated for 4 to 20 mins by spectrophotometric assay
50003231	5	ChEMBL_1799138 (CHEMBL4271430)	Inhibition of human recombinant Rad6B using ubiquitin and histone H2A and ubiquitin-activating enzyme E1 preincubated for 1 hr before ubiquitin and histone H2A addition by SDS-PAGE and immunoblotting analysis
50003231	6	ChEMBL_1799127 (CHEMBL4271419)	Inhibition of PI3K p110gamma/p85alpha (unknown origin) assessed as reduction in PIP2 to PIP3 conversion by HTRF assay
50003231	7	ChEMBL_1799151 (CHEMBL4271443)	Inhibition of human recombinant CDK2/cyclin A using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis
50003231	8	ChEMBL_1799154 (CHEMBL4271446)	Inhibition of human recombinant CDK7/cyclin H using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis
50003231	9	ChEMBL_1799155 (CHEMBL4271447)	Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using pRb fragment (773 to 928 amino acids) and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis
50003231	10	ChEMBL_1799152 (CHEMBL4271444)	Inhibition of human recombinant CDK2/cyclinE using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis
50003232	1	ChEMBL_1799171 (CHEMBL4271463)	Inhibition of recombinant human PARP2 using DNase I-activated herring sperm DNA and [3H]nicotinamide after 2 mins by scintillation counting method
50003232	2	ChEMBL_1799164 (CHEMBL4271456)	Inhibition of N-terminal GST-tagged human TNKS1 expressed in Sf9 cells incubated for 1 hr by histone ribosylation assay
50003232	3	ChEMBL_1799165 (CHEMBL4271457)	Inhibition of N-terminal GST-tagged human TNKS2 expressed in Sf9 cells incubated for 1 hr by histone ribosylation assay
50003232	4	ChEMBL_1799161 (CHEMBL4271453)	Inhibition of TNKS1 (unknown origin)
50003232	5	ChEMBL_1799159 (CHEMBL4271451)	Inhibition of human TNKS1 (1030 to 1317 residues) by fluorescence based activity assay
50003232	6	ChEMBL_1799163 (CHEMBL4271455)	Inhibition of TNKS2 (unknown origin) by biochemical assay
50003232	7	ChEMBL_1799170 (CHEMBL4271462)	Inhibition of recombinant human PARP1 using DNase I-activated herring sperm DNA and [3H]nicotinamide after 2 mins by scintillation counting method
50003232	8	ChEMBL_1799172 (CHEMBL4271464)	Inhibition of human recombinant TNKS1 by chemiluminescent assay
50003232	9	ChEMBL_1799173 (CHEMBL4271465)	Inhibition of human recombinant TNKS2 by chemiluminescent assay
50003232	10	ChEMBL_1799160 (CHEMBL4271452)	Inhibition of TNKS1 (unknown origin) by biochemical assay
50003233	1	ChEMBL_1799204 (CHEMBL4271496)	Binding affinity to recombinant human HSF1 monomer delta LZ1-3 mutant expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization assay
50003233	2	ChEMBL_1799201 (CHEMBL4271493)	Inhibition of recombinant human HSF1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in HSF1 trimer-5-fluorescein labeled HSE interaction preincubated for 1 hr followed by DNA tracer addition and measured after 15 mins by competitive fluorescence polarization assay
50003233	3	ChEMBL_1799202 (CHEMBL4271494)	Inhibition of recombinant human HSF1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in HSF1 trimer-5-fluorescein labeled HSE interaction preincubated of protein with DNA tracer up to 24 hrs followed by compound addition and measured after 15 mins by fluorescence polarization assay
50003233	4	ChEMBL_1799203 (CHEMBL4271495)	Binding affinity to recombinant human HSF1 monomer expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization assay
50003234	1	ChEMBL_1799212 (CHEMBL4271504)	Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by visible absorption spectroscopic analysis
50003234	2	ChEMBL_1799226 (CHEMBL4271518)	Competitive inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by Lineweaver-Burk plot analysis
50003235	1	ChEMBL_1799245 (CHEMBL4271537)	Agonist activity at human MC4R expressed in HEK293 cells after 3 mins by cAMP assay
50003235	2	ChEMBL_1799243 (CHEMBL4271535)	Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC4R expressed in HEK293 cells after 40 mins by gamma counting analysis
50003235	3	ChEMBL_1799241 (CHEMBL4271533)	Agonist activity at human MC3R expressed in HEK293 cells after 3 mins by cAMP assay
50003235	4	ChEMBL_1799239 (CHEMBL4271531)	Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC3R expressed in HEK293 cells after 40 mins by gamma counting analysis
50003235	5	ChEMBL_1799237 (CHEMBL4271529)	Agonist activity at human MC1R expressed in HEK293 cells after 3 mins by cAMP assay
50003235	6	ChEMBL_1799236 (CHEMBL4271528)	Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC1R expressed in HEK293 cells after 40 mins by gamma counting analysis
50003235	7	ChEMBL_1799249 (CHEMBL4271541)	Agonist activity at human MC5R expressed in HEK293 cells after 3 mins by cAMP assay
50003235	8	ChEMBL_1799247 (CHEMBL4271539)	Displacement of [125I]-[Nle4,d-Phe7]-alpha-MSH from human MC5R expressed in HEK293 cells after 40 mins by gamma counting analysis
50003236	1	ChEMBL_1799255 (CHEMBL4271547)	Inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured for every 15 secs for 7 mins by spectrophotometric analysis
50003236	2	ChEMBL_1799261 (CHEMBL4271553)	Uncompetitive inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition by Lineweaver-Burk plot analysis
50003236	3	ChEMBL_1799260 (CHEMBL4271552)	Competitive inhibition of bovine xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition by Lineweaver-Burk plot analysis
50003237	1	ChEMBL_1799291 (CHEMBL4271583)	Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-33P]-ATP by phosphorescence-based assay
50003238	1	ChEMBL_1799342 (CHEMBL4271634)	Inhibition of human recombinant HDAC4 using fluorogenic trifluoroacetyl lysine as substrate by fluorescence assay
50003238	2	ChEMBL_1799339 (CHEMBL4271631)	Inhibition of human recombinant HDAC6 using RHKKAcAMC as substrate by fluorescence assay
50003238	3	ChEMBL_1799340 (CHEMBL4271632)	Inhibition of human recombinant HDAC1 using RHKKAcAMC as substrate by fluorescence assay
50003238	4	ChEMBL_1799341 (CHEMBL4271633)	Inhibition of human recombinant HDAC2 using RHKKAcAMC as substrate by fluorescence assay
50003238	5	ChEMBL_1799343 (CHEMBL4271635)	Inhibition of human recombinant HDAC8 using RHKAcKAcAMC as substrate by fluorescence assay
50003238	6	ChEMBL_1799344 (CHEMBL4271636)	Inhibition of human recombinant HDAC10 using RHKKAcAMC as substrate by fluorescence assay
50003239	1	ChEMBL_1799360 (CHEMBL4271652)	Agonist activity at human beta3 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay
50003239	2	ChEMBL_1799358 (CHEMBL4271650)	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay
50003239	3	ChEMBL_1799359 (CHEMBL4271651)	Agonist activity at human beta1 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay
50003240	1	ChEMBL_1799370 (CHEMBL4271662)	Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay
50003240	2	ChEMBL_1799371 (CHEMBL4271663)	Binding affinity to FABP4 (unknown origin) by isothermal calorimetric titration method
50003240	3	ChEMBL_1799372 (CHEMBL4271664)	Inhibition of FABP3 (unknown origin)
50003241	1	ChEMBL_1799412 (CHEMBL4271704)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	2	ChEMBL_1799443 (CHEMBL4271735)	Inhibition of human N-terminal GST-tagged VEGFR2 (790 to 1356 residues) cytoplasmic domain expressed in baculovirus expression system after 60 mins by off-chip mobility shift assay
50003241	3	ChEMBL_1799420 (CHEMBL4271712)	Inhibition of recombinant FGFR3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	4	ChEMBL_1799422 (CHEMBL4271714)	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	5	ChEMBL_1799431 (CHEMBL4271723)	Inhibition of recombinant c-Src (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	6	ChEMBL_1799432 (CHEMBL4271724)	Inhibition of recombinant Bcr-Abl (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	7	ChEMBL_1799433 (CHEMBL4271725)	Inhibition of recombinant EPH-A2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	8	ChEMBL_1799436 (CHEMBL4271728)	Inhibition of VEGFR2 (unknown origin)
50003241	9	ChEMBL_1799437 (CHEMBL4271729)	Inhibition of FGFR1 (unknown origin)
50003241	10	ChEMBL_1799439 (CHEMBL4271731)	Inhibition of FGFR3 (unknown origin)
50003241	11	ChEMBL_1799442 (CHEMBL4271734)	Inhibition of human N-terminal GST-tagged FGFR3 (436 to 806 residues) cytoplasmic domain expressed in baculovirus expression system after 60 mins by off-chip mobility shift assay
50003241	12	ChEMBL_1799421 (CHEMBL4271713)	Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	13	ChEMBL_1799427 (CHEMBL4271719)	Inhibition of recombinant FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	14	ChEMBL_1799441 (CHEMBL4271733)	Inhibition of human N-terminal GST-tagged FGFR2 (399 to 821 residues) cytoplasmic domain expressed in baculovirus expression system after 60 mins by off-chip mobility shift assay
50003241	15	ChEMBL_1799419 (CHEMBL4271711)	Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	16	ChEMBL_1799440 (CHEMBL4271732)	Inhibition of human N-terminal GST-tagged FGFR1 (398 to 822 residues) cytoplasmic domain expressed in baculovirus expression system after 60 mins by off-chip mobility shift assay
50003241	17	ChEMBL_1799428 (CHEMBL4271720)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	18	ChEMBL_1799435 (CHEMBL4271727)	Inhibition of VEGFR1 (unknown origin)
50003241	19	ChEMBL_1799438 (CHEMBL4271730)	Inhibition of FGFR2 (unknown origin)
50003241	20	ChEMBL_1799429 (CHEMBL4271721)	Inhibition of recombinant ERBB2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	21	ChEMBL_1799434 (CHEMBL4271726)	Inhibition of recombinant IGF1R (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003241	22	ChEMBL_1799430 (CHEMBL4271722)	Inhibition of recombinant ERBB4 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 60 mins by ELISA based spectrophotometric method
50003242	1	ChEMBL_1799502 (CHEMBL4271794)	Agonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ transcriptional fusion reporter pSC11-Q measured after 35 mins by Miller-type beta-galactosidase reporter gene assay
50003242	2	ChEMBL_1799501 (CHEMBL4271793)	Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ transcriptional fusion reporter pSC11-L measured after 35 mins by Miller-type beta-galactosidase reporter gene assay
50003242	3	ChEMBL_1799506 (CHEMBL4271798)	Antagonist activity at Pseudomonas aeruginosa QscR expressed in Escherichia coli JLD271 harboring QscR expression plasmid pJN105Q and pPA1897-lacZ transcriptional fusion reporter pSC11-Q using ONPG as substrate assessed as inhibition of OdDHL-induced receptor activation after 4 hrs by Miller-type beta-galactosidase reporter gene assay
50003242	4	ChEMBL_1799505 (CHEMBL4271797)	Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ transcriptional fusion reporter pSC11-L assessed as inhibition of OdDHL-induced receptor activation after 4 hrs by Miller-type beta-galactosidase reporter gene assay
50003243	1	ChEMBL_1799514 (CHEMBL4271806)	Displacement of DAUDA from recombinant human N-terminal His-tagged FABP3 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay
50003243	2	ChEMBL_1799515 (CHEMBL4271807)	Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay
50003243	3	ChEMBL_1799516 (CHEMBL4271808)	Displacement of ANS from recombinant human N-terminal His-tagged FABP7 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay
50003243	4	ChEMBL_1799523 (CHEMBL4271815)	Displacement of NBD-stearate from recombinant human N-terminal His-tagged FABP3 expressed in Escherichia coli BL21(DE3) by fluorescence assay
50003243	5	ChEMBL_1799522 (CHEMBL4271814)	Displacement of NBD-stearate from recombinant human N-terminal His-tagged FABP7 expressed in Escherichia coli BL21(DE3) by fluorescence assay
50003243	6	ChEMBL_1799521 (CHEMBL4271813)	Displacement of NBD-stearate from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) by fluorescence assay
50003244	1	ChEMBL_1799631 (CHEMBL4271923)	Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis
50003245	1	ChEMBL_1799655 (CHEMBL4271947)	Binding affinity to PDK1 (unknown origin)
50003246	1	ChEMBL_1799769 (CHEMBL4272061)	Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) as substrate measured after 45 minutes by Kinase-Glo luminescent assay
50003246	2	ChEMBL_1799770 (CHEMBL4272062)	Inhibition of recombinant human N-terminal GST-tagged HER2 (679 to 1255 residues) expressed in baculovirus infected Sf9 cells using Poly-(Glu, Tyr) as substrate measured after 45 minutes by Kinase-Glo luminescent assay
50003247	1	ChEMBL_1799805 (CHEMBL4272097)	Inhibition of recombinant human His-tagged BRPF1 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay
50003247	2	ChEMBL_1799806 (CHEMBL4272098)	Inhibition of recombinant human His-tagged BRPF1 at 100 uM using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay relative to control
50003247	3	ChEMBL_1799813 (CHEMBL4272105)	Inhibition of human GST-tagged BRD4 BD1 (44 to 170 residues) expressed in Escherichia coli BL21 using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay
50003247	4	ChEMBL_1799795 (CHEMBL4272087)	Binding affinity to human partial length BRD4 BD1 (N44 to E168 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50003247	5	ChEMBL_1799793 (CHEMBL4272085)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50003247	6	ChEMBL_1799794 (CHEMBL4272086)	Binding affinity to human partial length TRIM24-phd-bromo (P790 to P977 residues) expressed in Escherichia coli BL21 after 1 hr by BROMOscan assay
50003247	7	ChEMBL_1799807 (CHEMBL4272099)	Binding affinity to N-terminal GST-tagged BRPF1 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetry
50003247	8	ChEMBL_1799812 (CHEMBL4272104)	Inhibition of recombinant human N-terminal His-tagged BRD9 (135 to 248 residues) using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate after 30 mins by AlphaScreen assay
50003249	1	ChEMBL_1799823 (CHEMBL4272115)	Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50003249	2	ChEMBL_1799828 (CHEMBL4272120)	Inhibition of MBP-fused recombinant human neuraminidase 4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis
50003249	3	ChEMBL_1799821 (CHEMBL4272113)	Inhibition of recombinant His6-tagged human neuraminidase 1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50003249	4	ChEMBL_1799827 (CHEMBL4272119)	Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis
50003249	5	ChEMBL_1799826 (CHEMBL4272118)	Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis
50003249	6	ChEMBL_1799825 (CHEMBL4272117)	Inhibition of recombinant His6-tagged human neuraminidase 1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis
50003249	7	ChEMBL_1799824 (CHEMBL4272116)	Inhibition of MBP-fused recombinant human neuraminidase 4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50003249	8	ChEMBL_1799822 (CHEMBL4272114)	Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence analysis
50003250	1	ChEMBL_1799957 (CHEMBL4272249)	Inhibition of MEK1/2 (unknown origin)
50003250	2	ChEMBL_1799947 (CHEMBL4272239)	Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins
50003250	3	ChEMBL_1799948 (CHEMBL4272240)	Inhibition of recombinant human full length GST-tagged wild type BRAF expressed in baculovirus expression system using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins
50003250	4	ChEMBL_1799958 (CHEMBL4272250)	Inhibition of N-terminal flag-tagged JNK1 (unknown origin) expressed in baculovirus expression system after 60 mins in presence of [gamma-32P]ATP by topcount scintillation method
50003250	5	ChEMBL_1799954 (CHEMBL4272246)	Inhibition of recombinant human GST-tagged c-RAF (306 to 648 residues) Y340D/Y341D mutant expressed in baculovirus expression system using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins
50003250	6	ChEMBL_1799959 (CHEMBL4272251)	Inhibition of N-terminal flag-tagged p38alpha (unknown origin) expressed in baculovirus expression system using MBP as substrate preincubated for 5 mins followed by substrate addition measured after 60 mins in presence of [gamma-32P]ATP by topcount scintillation method
50003251	1	ChEMBL_1800026 (CHEMBL4272318)	Induction of PHB2-mediated melanogenesis in mouse Melan-a cells assessed as pigmentation after 72 hrs
50003252	1	ChEMBL_1800100 (CHEMBL4272392)	Inhibition of JAK3 (unknown origin)
50003252	2	ChEMBL_1800092 (CHEMBL4272384)	Inhibition of ROCK1 (unknown origin)
50003252	3	ChEMBL_1800090 (CHEMBL4272382)	Binding affinity to AT1 receptor (unknown origin)
50003252	4	ChEMBL_1800084 (CHEMBL4272376)	Antagonist activity at human S1P2 receptor
50003252	5	ChEMBL_1800085 (CHEMBL4272377)	Antagonist activity at rat S1P2 receptor
50003252	6	ChEMBL_1800087 (CHEMBL4272379)	Inhibition of SK1 (unknown origin)
50003252	7	ChEMBL_1800091 (CHEMBL4272383)	Inhibition of ROCK2 (unknown origin)
50003252	8	ChEMBL_1800093 (CHEMBL4272385)	Inhibition of JNK1 (unknown origin)
50003252	9	ChEMBL_1800094 (CHEMBL4272386)	Inhibition of JNK2 (unknown origin)
50003252	10	ChEMBL_1800096 (CHEMBL4272388)	Inhibition of ERK1 (unknown origin)
50003252	11	ChEMBL_1800101 (CHEMBL4272393)	Inhibition of JAK1 (unknown origin)
50003252	12	ChEMBL_1800103 (CHEMBL4272395)	Inhibition of CBP (unknown origin)
50003252	13	ChEMBL_1800089 (CHEMBL4272381)	Binding affinity to AT2 receptor (unknown origin)
50003252	14	ChEMBL_1800097 (CHEMBL4272389)	Inhibition of p38alpha (unknown origin)
50003252	15	ChEMBL_1800104 (CHEMBL4272396)	Inhibition of tankyrase1/2 (unknown origin)
50003252	16	ChEMBL_1800086 (CHEMBL4272378)	Binding affinity to SK1 (unknown origin) assessed as inhibition of sphingosine phosphorylation
50003252	17	ChEMBL_1800102 (CHEMBL4272394)	Inhibition of JAK2 (unknown origin)
50003252	18	ChEMBL_1800088 (CHEMBL4272380)	Inhibition of SK2 (unknown origin)
50003252	19	ChEMBL_1800095 (CHEMBL4272387)	Inhibition of JNK3 (unknown origin)
50003253	1	ChEMBL_1800357 (CHEMBL4272649)	Inhibition of [3H]-dofetilide binding to human ERG expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay
50003253	2	ChEMBL_1800356 (CHEMBL4272648)	Inhibition of human ERG expressed in HEK293 cells at -80 holding potential by whole patch clamp assay
50003254	1	ChEMBL_1800447 (CHEMBL4272739)	Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 13 hrs in presence of NAD+
50003254	2	ChEMBL_1800453 (CHEMBL4272745)	Inhibition of N-terminal His-tagged human ARTD4 (250 to 565 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 2.5 hrs in presence of NAD+
50003254	3	ChEMBL_1800456 (CHEMBL4272748)	Inhibition of N-terminal His-tagged human ARTD7 (482 to 678 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 3 hrs in presence of NAD+
50003254	4	ChEMBL_1800450 (CHEMBL4272742)	Inhibition of N-terminal His-tagged human ARTD1 (1 to 1014 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DNA as substrate after 1.5 hrs in presence of NAD+
50003254	5	ChEMBL_1800449 (CHEMBL4272741)	Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) R931A mutant expressed in Escherichia coli Rosetta2 (DE3) Rosetta2 (DE3) using SRPK2 as substrate after 21 hrs in presence of NAD+
50003254	6	ChEMBL_1800459 (CHEMBL4272751)	Inhibition of N-terminal His-tagged human ARTD15 (1 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) after 24 hrs in presence of NAD+
50003254	7	ChEMBL_1800452 (CHEMBL4272744)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD3 (1 to 533 residues) expressed in Escherichia coli Rosetta2 (DE3) using DNA as substrate after 3 hrs in presence of NAD+
50003254	8	ChEMBL_1800455 (CHEMBL4272747)	Inhibition of N-terminal His-tagged Z-basic-fused human ARTD6 (873 to 1161 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 18 hrs in presence of NAD+
50003254	9	ChEMBL_1800458 (CHEMBL4272750)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD12 (469 to 701 residues) expressed in Escherichia coli Rosetta2 (DE3) after 20 hrs in presence of NAD+
50003254	10	ChEMBL_1800454 (CHEMBL4272746)	Inhibition of N-terminal His-tagged human ARTD5 (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 18 hrs in presence of NAD+
50003254	11	ChEMBL_1800457 (CHEMBL4272749)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD8 (1535 to 1801 residues) expressed in Escherichia coli Rosetta2 (DE3) after 21 hrs in presence of NAD+
50003254	12	ChEMBL_1800451 (CHEMBL4272743)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD2 (1 to 583 residues) expressed in Escherichia coli Rosetta2 (DE3) using activated DNA as substrate after 1.5 hrs in presence of NAD+
50003254	13	ChEMBL_1800464 (CHEMBL4272756)	Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa cells after 10 days by methylene blue staining based colony formation assay
50003255	1	ChEMBL_1800515 (CHEMBL4272807)	Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISA
50003255	2	ChEMBL_1800513 (CHEMBL4272805)	Inhibition of human VEGFR-2 incubated for 2.5 hrs by ELISA
50003255	3	ChEMBL_1800506 (CHEMBL4272798)	Inhibition of human Eg5
50003256	1	ChEMBL_1800621 (CHEMBL4272913)	Agonist activity at human MT2 receptor expressed in HEK293 cells after 24 hrs by Fluo-8 dye-based calcium assay
50003256	2	ChEMBL_1800620 (CHEMBL4272912)	Agonist activity at human MT1 receptor expressed in HEK293 cells after 24 hrs by Fluo-8 dye-based calcium assay
50003257	1	ChEMBL_1800754 (CHEMBL4273046)	Inhibition of xanthine oxidase (unknown origin)
50003257	2	ChEMBL_1800742 (CHEMBL4273034)	Inhibition of mushroom tyrosinase
50003259	1	ChEMBL_1800760 (CHEMBL4273052)	Inhibition of human recombinant carbonic anhydrase 7 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye-based stopped-flow assay
50003259	2	ChEMBL_1800759 (CHEMBL4273051)	Inhibition of human recombinant carbonic anhydrase 2 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye-based stopped-flow assay
50003259	3	ChEMBL_1800758 (CHEMBL4273050)	Inhibition of human recombinant carbonic anhydrase 1 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye-based stopped-flow assay
50003259	4	ChEMBL_1800761 (CHEMBL4273053)	Inhibition of human recombinant carbonic anhydrase 9 assessed as CO2 hydration preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye-based stopped-flow assay
50003260	1	ChEMBL_1800812 (CHEMBL4273104)	Inhibition of human TNAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 20 mins by luminescence-based assay
50003260	2	ChEMBL_1800816 (CHEMBL4273108)	Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by malachite green reagent-based assay
50003260	3	ChEMBL_1800815 (CHEMBL4273107)	Inhibition of human NPP3 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 35 mins
50003260	4	ChEMBL_1800814 (CHEMBL4273106)	Inhibition of human NPP1 expressed in COS7 cells using p-nitrophenyl-5'-thymidine monophosphate as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 35 mins
50003260	5	ChEMBL_1800813 (CHEMBL4273105)	Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 20 mins by luminescence-based assay
50003261	1	ChEMBL_1800825 (CHEMBL4273117)	Inhibition of 5-LO in human peripheral blood neutrophils using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by RP-HPLC analysis
50003261	2	ChEMBL_1800826 (CHEMBL4273118)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition measured after 10 mins by RP-HPLC analysis
50003261	3	ChEMBL_1800827 (CHEMBL4273119)	Inhibition of mPGES-1 in microsomal membranes isolated from IL-1beta-stimulated human A549 cells preincubated for 15 mins followed by PGH2 addition measured after 1 mins by RP-HPLC analysis
50003262	1	ChEMBL_1800849 (CHEMBL4273141)	Inhibition of TrxR in human SGC7901 cells
50003263	1	ChEMBL_1800950 (CHEMBL4273242)	Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by Ellman's method
50003263	2	ChEMBL_1800949 (CHEMBL4273241)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by Ellman's method
50003263	3	ChEMBL_1800962 (CHEMBL4273254)	Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 receptor by liquid scintillation counting method
50003263	4	ChEMBL_1800963 (CHEMBL4273255)	Displacement of [3H]DTG from sigma2 receptor in rat liver membranes by liquid scintillation counting method
50003263	5	ChEMBL_1800956 (CHEMBL4273248)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition by horse-radish peroxidase/amplex red-based fluorescence method
50003263	6	ChEMBL_1800952 (CHEMBL4273244)	Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot analysis
50003263	7	ChEMBL_1800954 (CHEMBL4273246)	Inhibition of human 5-lipoxygenase using arachidonic acid as substrate pretreated for 10 mins followed by substrate and ATP addition and measured after 20 mins by H2DCFDA probe based fluorescence assay
50003263	8	ChEMBL_1800957 (CHEMBL4273249)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition by horse-radish peroxidase/amplex red-based fluorescence method
50003264	1	ChEMBL_1800973 (CHEMBL4273265)	Antagonist activity at smo in SAG-treated mouse Light2 cells after 48 hrs by renilla luciferase reporter gene assay
50003264	2	ChEMBL_1800974 (CHEMBL4273266)	Inhibition of Gli1 transcriptional activity in mouse embroyonic fibroblasts after 24 hrs by renilla luciferase reporter gene assay
50003265	1	ChEMBL_1801045 (CHEMBL4273337)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay
50003265	2	ChEMBL_1801046 (CHEMBL4273338)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by fluorometric assay
50003265	3	ChEMBL_1801047 (CHEMBL4273339)	Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay
50003265	4	ChEMBL_1801042 (CHEMBL4273334)	Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay
50003265	5	ChEMBL_1801043 (CHEMBL4273335)	Inhibition of human cathepsin-B using Z-Phe-Arg-AMC as substrate by fluorometric assay
50003265	6	ChEMBL_1801041 (CHEMBL4273333)	Inhibition of Leishmania major MHOM/IL/81/FE/BNI His6-tagged CPC expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate by fluorescence spectrometric method
50003266	1	ChEMBL_1801059 (CHEMBL4273351)	Inhibition of human recombinant BChE using butyrylthiocholine as substrate preincubated for 300 secs followed by substrate addition and measured for 1 min by Ellman's assay
50003266	2	ChEMBL_1801062 (CHEMBL4273354)	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min by Ellman's assay
50003266	3	ChEMBL_1801064 (CHEMBL4273356)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min by Ellman's assay
50003266	4	ChEMBL_1801067 (CHEMBL4273359)	Competitive inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 1 min by Lineweaver Burk plot analysis
50003266	5	ChEMBL_1801060 (CHEMBL4273352)	Inhibition of AChE (unknown origin)
50003266	6	ChEMBL_1801061 (CHEMBL4273353)	Inhibition of BChE (unknown origin)
50003267	1	ChEMBL_1801095 (CHEMBL4273387)	Inhibition of basal ATPase activity of N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by pyruvate kinase-lactate dehydrogenase coupled assay
50003267	2	ChEMBL_1801093 (CHEMBL4273385)	Inhibition of N-terminal His6-tagged microtubule-stimulated ATPase activity of human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by pyruvate kinase-lactate dehydrogenase coupled assay
50003267	3	ChEMBL_1801094 (CHEMBL4273386)	Binding affinity to N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry method
50003267	4	ChEMBL_1801098 (CHEMBL4273390)	Inhibition of microtubule-stimulated human Eg5 ATPase activity
50003267	5	ChEMBL_1801096 (CHEMBL4273388)	Inhibition of microtubule-stimulated recombinant human Eg5 ATPase activity
50003267	6	ChEMBL_1801097 (CHEMBL4273389)	Inhibition of microtubule-stimulated Eg5 ATPase activity in human HL-60 cells after 48 hrs by Western blot analysis
50003268	1	ChEMBL_1801099 (CHEMBL4273391)	Inhibition of HIV1 reverse transcriptase RNaseH activity using 3'-fluorescein/5'-Dabcyl labeled HTS-1 substrate
50003268	2	ChEMBL_1801100 (CHEMBL4273392)	Inhibition of HIV1 reverse transcriptase polymerase activity using 18 nucleotide DNA primer and 100 nucleotide DNA template after 30 mins
50003268	3	ChEMBL_1801101 (CHEMBL4273393)	Inhibition of HIV integrase strand transfer activity using 5'-biotin/3'-Cy5-labeled DNA substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by HTS assay
50003269	1	ChEMBL_1801106 (CHEMBL4273398)	Inhibition of recombinant HIV1 reverse transcriptase RNase H expressed in Escherichia coli JM109 using RNA/DNA duplex substrate HTS1 as substrate
50003269	2	ChEMBL_1801108 (CHEMBL4273400)	Inhibition of HIV integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) using 5' biotin ATGTGGAAAATCTCTAGCA primer annealed with ACTGCTAGAGATTTTCCACAT 3' Cy5 template preincubated for 10 mins followed by primer/template addition measured after 30 mins by fluorescence assay
50003269	3	ChEMBL_1801107 (CHEMBL4273399)	Inhibition of recombinant HIV1 reverse transcriptase polymerase expressed in Escherichia coli JM109 assessed as decrease in extension of 18 nucleotide DNA primer annealed to 100 nucleotide DNA template measured after 30 mins
50003270	1	ChEMBL_1801297 (CHEMBL4273589)	Inhibition of PDE4B1 (unknown origin)
50003270	2	ChEMBL_1801298 (CHEMBL4273590)	Inhibition of PDE4B2 (unknown origin)
50003270	3	ChEMBL_1801300 (CHEMBL4273592)	Inhibition of PDE4D7 (unknown origin)
50003270	4	ChEMBL_1801299 (CHEMBL4273591)	Inhibition of PDE4C1 (unknown origin)
50003270	5	ChEMBL_1801296 (CHEMBL4273588)	Inhibition of PDE4A1A (unknown origin)
50003271	1	ChEMBL_1801304 (CHEMBL4273596)	Inhibition of mPGES-1 isolated from microsomes of interleukin-1 beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis
50003271	2	ChEMBL_1801305 (CHEMBL4273597)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21 (DE3) using arachidonic acid as substrate preincubated for 10 mins followed by CaCl2 and substrate addition measured after 10 mins by RP-HPLC analysis
50003271	3	ChEMBL_1801306 (CHEMBL4273598)	Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate assessed as reduction in 5-LO product formation preincubated for 15 mins followed by substrate addition measured after 10 mins in presence of Ca2+ ionophore A23187 by HPLC analysis
50003271	4	ChEMBL_1801346 (CHEMBL4273638)	Inhibition of LTC4 synthase (unknown origin)
50003272	1	ChEMBL_1801470 (CHEMBL4273762)	Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells preincubated for 10 mins followed by ATP-MgCl2 addition and measured after 1 hr by DELFIA/time-resolved fluorometric analysis
50003272	2	ChEMBL_1801472 (CHEMBL4273764)	Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human His6-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins by ELISA
50003273	1	ChEMBL_1801542 (CHEMBL4273834)	Inhibition of Gs coupled adrenergic beta2 receptor in HEK293 cells assessed as reduction in isoproterenol-induced cAMP production pretreated for 1 hr followed by isoproterenol addition and measured after 30 mins by FRET assay
50003273	2	ChEMBL_1801541 (CHEMBL4273833)	Inhibition of recombinant human Gq/11 coupled N-terminal 3His-tagged M1 receptor expressed in CHOK1 cells assessed as reduction in carbachol-induced IP1 accumulation pretreated for 1 hr followed by carbachol addition and subsequent incubation for 1 hr at 37 degC measured after 15 mins at room temperature by HTRF assay
50003273	3	ChEMBL_1801543 (CHEMBL4273835)	Inhibition of recombinant rat Gi coupled mGlu2 receptor expressed in CHO cells assessed as suppression of L-glutamate-induced decrease in cAMP level pretreated for 1 hr followed by L-glutamate/forskolin addition and measured after 30 mins by FRET assay
50003274	1	ChEMBL_1801594 (CHEMBL4273886)	Binding affinity to human BRD4 bromodomain-1
50003274	2	ChEMBL_1801596 (CHEMBL4273888)	Binding affinity to West Nile virus NS3 protease by 15N-HSQC 1H NMR analysis
50003274	3	ChEMBL_1801592 (CHEMBL4273884)	Inhibition of H4K5/8/12/16-Ac-biotin binding to human BRD4 bromodomain-1 by Alpha screen assay
50003274	4	ChEMBL_1801590 (CHEMBL4273882)	Inhibition of H4K5/8/12/16-Ac-biotin binding to human ATAD2 by Alpha screen assay
50003274	5	ChEMBL_1801595 (CHEMBL4273887)	Inhibition of human BACE-1 after 30 mins by FRET assay
50003274	6	ChEMBL_1801597 (CHEMBL4273889)	Inhibition of Helicobacter pylori DHQ2
50003274	7	ChEMBL_1801593 (CHEMBL4273885)	Inhibition of H4K5/8/12/16-Ac-biotin binding to human CREBBP by Alpha screen assay
50003274	8	ChEMBL_1801591 (CHEMBL4273883)	Binding affinity to recombinant human BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50003275	1	ChEMBL_1801626 (CHEMBL4273918)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003275	2	ChEMBL_1801627 (CHEMBL4273919)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003275	3	ChEMBL_1801624 (CHEMBL4273916)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003275	4	ChEMBL_1801625 (CHEMBL4273917)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50003276	1	ChEMBL_1801634 (CHEMBL4273926)	Inhibition of PI3K-beta (unknown origin) after 40 mins by Kinase-Glo assay
50003276	2	ChEMBL_1801629 (CHEMBL4273921)	Inhibition of recombinant full length PI3K p85alpha/p110alpha H1047R mutant (unknown origin) expressed in baculovirus infected sf9 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition and measured after 45 mins by HTRF assay
50003276	3	ChEMBL_1801632 (CHEMBL4273924)	Inhibition of recombinant full length PI3K p110alpha/p85alpha (unknown origin) expressed in baculovirus infected sf9 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition and measured after 45 mins by HTRF assay
50003276	4	ChEMBL_1801635 (CHEMBL4273927)	Inhibition of PI3K-gamma (unknown origin) after 40 mins by Kinase-Glo assay
50003276	5	ChEMBL_1801636 (CHEMBL4273928)	Inhibition of PI3K-delta (unknown origin) after 40 mins by Kinase-Glo assay
50003277	1	ChEMBL_1801719 (CHEMBL4274011)	Antagonist activity at human OX1 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium accumulation preincubated for 30 mins followed by orexin-A addition measured for 150 secs by calcium-4 dye based FLIPR assay
50003277	2	ChEMBL_1801721 (CHEMBL4274013)	Antagonist activity at human OX2 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium accumulation preincubated for 30 mins followed by orexin-A addition measured for 150 secs by calcium-4 dye based FLIPR assay
50003278	1	ChEMBL_1801790 (CHEMBL4274082)	Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorescence-based assay
50003278	2	ChEMBL_1801788 (CHEMBL4274080)	Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay
50003278	3	ChEMBL_1801791 (CHEMBL4274083)	Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mins by fluorescence-based assay
50003279	1	ChEMBL_1801908 (CHEMBL4274200)	Inhibition of EGFR in human HepG2 cells
50003279	2	ChEMBL_1801909 (CHEMBL4274201)	Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus infected insect cells preincubated for 5 mins followed by ATP addition and measured after 30 mins by HTRF assay
50003279	3	ChEMBL_1801910 (CHEMBL4274202)	Inhibition of N-terminal GST-tagged recombinant human EGFR T790M mutant expressed in baculovirus infected Sf21 insect cells preincubated for 5 mins followed by ATP addition and measured after 30 mins by HTRF assay
50003279	4	ChEMBL_1801911 (CHEMBL4274203)	Inhibition of GST-tagged recombinant human VEGFR (789-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP addition and measured after 30 mins by HTRF assay
50003279	5	ChEMBL_1801912 (CHEMBL4274204)	Inhibition of recombinant human GST-tagged HER2 (676-end) expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by ATP addition and measured after 30 mins by HTRF assay
50003281	1	ChEMBL_1801925 (CHEMBL4274217)	Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min
50003281	2	ChEMBL_1801927 (CHEMBL4274219)	Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk plot analysis
50003281	3	ChEMBL_1801926 (CHEMBL4274218)	Competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk plot analysis
50018286	38	ChEMBL_2268757	Inhibition of His-tagged BRD4 (unknown origin) using biotinylated histone H4 peptide (1 to 21 residues) containing KAc (K5/8/12/16Ac) by chemiluminescent alpha screen binding assay
50003281	4	ChEMBL_1801959 (CHEMBL4274251)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB reagent based assay
50003281	5	ChEMBL_1801961 (CHEMBL4274253)	Non-competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate
50003281	6	ChEMBL_1801960 (CHEMBL4274252)	Competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate
50003282	1	ChEMBL_1801964 (CHEMBL4274256)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 secs by Ellman's method
50003282	2	ChEMBL_1801971 (CHEMBL4274263)	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition measured after 180 secs by Ellman's method
50003282	3	ChEMBL_1801986 (CHEMBL4274278)	Inhibition of human MAO-A using p-tyramine as substrate incubated for 15 mins followed by substrate addition measured for 20 mins by fluorescence assay
50003282	4	ChEMBL_1801987 (CHEMBL4274279)	Inhibition of human MAO-B using p-tyramine as substrate incubated for 15 mins followed by substrate addition measured for 20 mins by fluorescence assay
50003282	5	ChEMBL_1801968 (CHEMBL4274260)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 secs by Ellman's method
50003282	6	ChEMBL_1801975 (CHEMBL4274267)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured after 180 secs by Ellman's method
50003282	7	ChEMBL_1801982 (CHEMBL4274274)	Mixed-type inhibition of human AChE using acetylthiocholine chloride as substrate incubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis
50003283	1	ChEMBL_1802440 (CHEMBL4274732)	Displacement of [3H]-astemizole from human ERG expressed in HEK293 cell membranes after 1 hr by microbeta counting method
50003284	1	ChEMBL_1802451 (CHEMBL4274743)	Inhibition of recombinant HIV-1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)16 as template/primer preincubated for 5 to 10 mins followed by template/primer addition and measured after 16 hrs by colorimetric assay
50003285	1	ChEMBL_1802559 (CHEMBL4274851)	Displacement of [3H]-ifenprodil from GluN1a/GluN2B (unknown origin) expressed in L(tk-) cell membranes after 120 mins by scintillation counting analysis
50003285	2	ChEMBL_1802563 (CHEMBL4274855)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method
50003285	3	ChEMBL_1802562 (CHEMBL4274854)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane after 120 mins by scintillation counting method
50003286	1	ChEMBL_1802565 (CHEMBL4274857)	Inhibition of SHIP2 (unknown origin) assessed as decrease in PIP2 production using PtdIns(3,4,5)P3 as substrate preincubated for 20 mins followed by substrate addition measured for 50 mins by malachite green staining based assay
50003287	1	ChEMBL_1802610 (CHEMBL4274902)	Inhibition of recombinant human TDO using L-Trp as substrate after 75 mins by UV absorption analysis
50003287	2	ChEMBL_1802609 (CHEMBL4274901)	Inhibition of human IDO1 using D-Trp as substrate
50003288	1	ChEMBL_1802621 (CHEMBL4274913)	Competitive inhibition of red kidney bean purple acid phosphatase Fe(3)Fe(2) state assessed as enzyme-inhibitor complex using pNPP as substrate by UV/Vis spectrophotometric method
50003288	2	ChEMBL_1802620 (CHEMBL4274912)	Competitive inhibition of pig purple acid phosphatase Fe(3)Fe(2) state assessed as enzyme-inhibitor complex using pNPP as substrate by UV/Vis spectrophotometric method
50003289	1	ChEMBL_1802631 (CHEMBL4274923)	Inhibition of Fyn (unknown origin) using Src-family kinase bisamide rhodamine 110 peptide substrate after 1 hr by fluorescence assay
50003289	2	ChEMBL_1802632 (CHEMBL4274924)	Inhibition of Lyn (unknown origin) using Src-family kinase bisamide rhodamine 110 peptide substrate after 1 hr by fluorescence assay
50003289	3	ChEMBL_1802630 (CHEMBL4274922)	Inhibition of Src (unknown origin) using Src-family kinase bisamide rhodamine 110 peptide substrate after 1 hr by fluorescence assay
50003291	1	ChEMBL_1803354 (CHEMBL4275646)	Antagonist activity at AR in human LNCAP cells assessed as reduction in DHT-induced transcriptional activation after 24 hrs by luciferase reporter gene assay
50003291	2	ChEMBL_1803361 (CHEMBL4275653)	Antagonist activity at AR in human LNCAP cells assessed as reduction in DHT-induced cell growth treated for every 2 days for 4 days by hemocytometry
50003292	1	ChEMBL_1803384 (CHEMBL4275676)	Inhibition of R1881-induced transcriptional activity of human AR V7 truncated mutant expressed in human PC3 cells harboring pGL3-ARR3tk-NLuc after 24 hrs by luciferase reporter gene assay
50003292	2	ChEMBL_1803383 (CHEMBL4275675)	Inhibition of R1881-induced full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct after 72 hrs by fluorescence assay
50003292	3	ChEMBL_1803387 (CHEMBL4275679)	Inhibition of full length AR transcriptional activity in human LNCAP cells harboring AR2PB-eGFP construct assessed as reduction in R1881-induced secreted PSA level after 72 hrs by fluorescence assay
50003292	4	ChEMBL_1803399 (CHEMBL4275691)	Displacement of Fluormone-DHT from rat GST-tagged rat AR LBD expressed in insect cells after 4 hrs by fluorescence polarization assay
50003293	1	ChEMBL_1803411 (CHEMBL4275703)	Binding affinity to VDR in scrambled siRNA-transfected human MCF7 cells assessed as cell growth inhibition by measuring reduction in BrdU incorporation after 16 hrs by ELISA
50003293	2	ChEMBL_1803409 (CHEMBL4275701)	Displacement of fluormone VDR red from human full-length VDR after 4 hrs by fluorescence polarization assay
50003293	3	ChEMBL_1803410 (CHEMBL4275702)	Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay
50003294	1	ChEMBL_1803461 (CHEMBL4275753)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003294	2	ChEMBL_1803457 (CHEMBL4275749)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003294	3	ChEMBL_1803456 (CHEMBL4275748)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003294	4	ChEMBL_1803458 (CHEMBL4275750)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003294	5	ChEMBL_1803459 (CHEMBL4275751)	Inhibition of recombinant human carbonic anhydrase 5a incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003294	6	ChEMBL_1803460 (CHEMBL4275752)	Inhibition of recombinant human carbonic anhydrase 5b incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50003295	1	ChEMBL_1803487 (CHEMBL4275779)	Inhibition of human ACLY
50003295	2	ChEMBL_1803477 (CHEMBL4275769)	Competitive inhibition of human liver ACLY using varying levels of citrate as substrate
50003295	3	ChEMBL_1803476 (CHEMBL4275768)	Inhibition of rat liver ACLY
50003295	4	ChEMBL_1803486 (CHEMBL4275778)	Inhibition of rat ACLY
50003295	5	ChEMBL_1803475 (CHEMBL4275767)	Reversible inhibition of rat liver ACLY
50003295	6	ChEMBL_1803481 (CHEMBL4275773)	Non-competitive inhibition of rat liver ACLY using citrate substrate and varying levels of ATP
50003295	7	ChEMBL_1803479 (CHEMBL4275771)	Inhibition of rat liver ACLY by MDH enzyme coupled assay
50003295	8	ChEMBL_1803480 (CHEMBL4275772)	Non-competitive inhibition of rat liver ACLY using varying levels of citrate
50003295	9	ChEMBL_1803478 (CHEMBL4275770)	Inhibition of ACLY (unknown origin)
50003296	1	ChEMBL_1803498 (CHEMBL4275790)	Inhibition of Escherichia coli type 1 signal peptidase lepB preincubated for 10 mins followed by Dabcyl-VGGTATAYGAFSRPGLE-(EDANS)-OH substrate addition measured after 2 hrs by FRET based assay
50003297	1	ChEMBL_1803524 (CHEMBL4275816)	Inhibition of Aurora B (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003297	2	ChEMBL_1803523 (CHEMBL4275815)	Inhibition of Aurora A (unknown origin) using FAM-labelled peptide as substrate pretreated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003297	3	ChEMBL_1803561 (CHEMBL4275853)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole-cell patch clamp method
50003298	1	ChEMBL_1803563 (CHEMBL4275855)	Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	2	ChEMBL_1803574 (CHEMBL4275866)	Inhibition of recombinant GST-tagged human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	3	ChEMBL_1803564 (CHEMBL4275856)	Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	4	ChEMBL_1803569 (CHEMBL4275861)	Inhibition of recombinant GST-tagged mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	5	ChEMBL_1803567 (CHEMBL4275859)	Inhibition of recombinant GST-tagged mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	6	ChEMBL_1803565 (CHEMBL4275857)	Inhibition of recombinant human CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	7	ChEMBL_1803570 (CHEMBL4275862)	Inhibition of recombinant GST-tagged mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	8	ChEMBL_1803571 (CHEMBL4275863)	Inhibition of recombinant GST-tagged human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	9	ChEMBL_1803575 (CHEMBL4275867)	Inhibition of porcine brain GSK3 using GS-1 as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	10	ChEMBL_1803568 (CHEMBL4275860)	Inhibition of recombinant GST-tagged mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	11	ChEMBL_1803573 (CHEMBL4275865)	Inhibition of recombinant GST-tagged human DYRK2 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003298	12	ChEMBL_1803572 (CHEMBL4275864)	Inhibition of recombinant GST-tagged human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method
50003299	1	ChEMBL_1803593 (CHEMBL4275885)	Binding affinity to bovine articular cartilage aggrecan by SPR analysis
50003301	1	ChEMBL_1803658 (CHEMBL4275950)	Inhibition of BRAF (unknown origin)
50003301	2	ChEMBL_1803662 (CHEMBL4275954)	Inhibition of BRAF (unknown origin) using full length His6-tagged MEK1 as substrate after 20 mins in presence of 33P-gamma-ATP by hotspot kinase assay
50003301	3	ChEMBL_1803655 (CHEMBL4275947)	Inhibition of BRAF V600E mutant (unknown origin)
50003301	4	ChEMBL_1803659 (CHEMBL4275951)	Inhibition of CRAF (unknown origin)
50003301	5	ChEMBL_1803663 (CHEMBL4275955)	Inhibition of CRAF (unknown origin) after 20 mins in presence of 33P-gamma-ATP by hotspot kinase assay
50003301	6	ChEMBL_1803660 (CHEMBL4275952)	Inhibition of full length human GST-tagged BRAF V600E mutant (AA416 to 766 residues (unknown origin) using full length His6-tagged MEK1 as substrate after 20 mins in presence of 33P-gamma-ATP by hotspot kinase assay
50003301	7	ChEMBL_1803657 (CHEMBL4275949)	Inhibition of ARAF (unknown origin)
50003301	8	ChEMBL_1803661 (CHEMBL4275953)	Inhibition of ARAF (unknown origin) after 20 mins in presence of 33P-gamma-ATP by hotspot kinase
50003302	1	ChEMBL_1803676 (CHEMBL4275968)	Inhibition of full length recombinant human GST-tagged DYRK1B expressed in baculovirus expression system using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins in presence of 15 uM [gamma32P]ATP by phosphor imaging analysis
50003302	2	ChEMBL_1803692 (CHEMBL4275984)	Inhibition of DYRK1A in human HeLa cells harboring GFP-SF3b1-NT assessed as reduction in SF3b1 phosphorylation at T343 residue after 18 hrs by Western blot analysis
50003302	3	ChEMBL_1803673 (CHEMBL4275965)	Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 mins in presence of 15 uM [gamma32P]ATP by phosphor imaging analysis
50003302	4	ChEMBL_1803683 (CHEMBL4275975)	Inhibition of human GST-tagged haspin expressed in baculovirus expression system in presence of 100 uM ATP
50003302	5	ChEMBL_1803679 (CHEMBL4275971)	Inhibition of recombinant human GST-tagged CLK1 (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substrate after 15 mins in presence of 15 uM [gamma32P]ATP by phosphor imaging analysis
50003303	1	ChEMBL_1803698 (CHEMBL4275990)	Inhibition of human IMPDH2 using IMP as substrate in presence of NAD+ after 30 mins
50003304	1	ChEMBL_1803720 (CHEMBL4276012)	Inhibition of human IKKepsilon (1 to 655 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay
50003304	2	ChEMBL_1803718 (CHEMBL4276010)	Inhibition of human TBK1 (1 to 657 residues) expressed in Baculovirus infected SF9 insect cells using myelin basic protein as substrate in presence of [gamma-33P]-ATP by radiometric kinase assay
50003305	1	ChEMBL_1803731 (CHEMBL4276023)	Inhibition of beta-galactosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-galactopyranoside as substrate after 2 hrs by fluorescence analysis
50003305	2	ChEMBL_1803728 (CHEMBL4276020)	Inhibition of alpha-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl alpha-D-glucopyranoside as substrate after 2 hrs by fluorescence analysis
50003305	3	ChEMBL_1803730 (CHEMBL4276022)	Inhibition of beta-glucosidase derived from human peripheral blood mononuclear cell lysate using 4-methylumbelliferyl beta-D-glucopyranoside as substrate after 2 hrs by fluorescence analysis
50003306	1	ChEMBL_1803798 (CHEMBL4276090)	Inhibition of recombinant full-length human PKCtheta using STK1-biotin as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins in presence of ATP by fluorescence analysis
50003306	2	ChEMBL_1803799 (CHEMBL4276091)	Inhibition of PKCtheta in human Jurkat cells transfected with pGL3-IL2 pro 43 plasmid assessed as suppression of IL-2 production after 14 hrs by firefly luciferase assay
50003306	3	ChEMBL_1803802 (CHEMBL4276094)	Inhibition of recombinant N-terminal GST-fused full-length human PKCbeta1 expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	4	ChEMBL_1803806 (CHEMBL4276098)	Inhibition of recombinant N-terminal GST-fused full-length human PKCeta expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	5	ChEMBL_1803801 (CHEMBL4276093)	Inhibition of recombinant N-terminal GST-fused full-length human PKCalpha expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	6	ChEMBL_1803803 (CHEMBL4276095)	Inhibition of recombinant N-terminal GST-fused full-length human PKCgamma expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	7	ChEMBL_1803804 (CHEMBL4276096)	Inhibition of recombinant N-terminal GST-fused full-length human PKCdelta expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	8	ChEMBL_1803805 (CHEMBL4276097)	Inhibition of recombinant N-terminal GST-fused full-length human PKCepsilon expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50003306	9	ChEMBL_1803807 (CHEMBL4276099)	Inhibition of recombinant N-terminal GST-fused full-length human PKCzeta expressed in Baculovirus expression system using STK1-biotin as substrate after 1 hr in presence of ATP by TR-FRET analysis
50001279	1	ChEMBL_1803828 (CHEMBL4276120)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50001279	2	ChEMBL_1803821 (CHEMBL4276113)	Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50001279	3	ChEMBL_1803826 (CHEMBL4276118)	Competitive inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50003307	1	ChEMBL_1803882 (CHEMBL4276174)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr
50003307	2	ChEMBL_1803883 (CHEMBL4276175)	Inhibition of recombinant N-terminal His6-tagged human COX-2 expressed in Baculovirus infected Sf21 cells using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 1 hr
50003308	1	ChEMBL_1803885 (CHEMBL4276177)	Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polypeptide as substrate after 30 mins by kinase-Glo reagent based luminescence assay
50003308	2	ChEMBL_1803905 (CHEMBL4276197)	Inhibition of human FGFR1
50003308	3	ChEMBL_1803904 (CHEMBL4276196)	Inhibition of human KDR
50003309	1	ChEMBL_1803920 (CHEMBL4276212)	Inhibition of [3H]dopamine uptake at DAT (unknown origin)
50003309	2	ChEMBL_1803914 (CHEMBL4276206)	Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting method
50003309	3	ChEMBL_1803911 (CHEMBL4276203)	Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting method
50003309	4	ChEMBL_1803915 (CHEMBL4276207)	Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells after 15 to 20 mins by microbeta scintillation counting method
50003309	5	ChEMBL_1803913 (CHEMBL4276205)	Inhibition of [3H]norepinephrine uptake at NET (unknown origin)
50003309	6	ChEMBL_1803912 (CHEMBL4276204)	Inhibition of [3H]serotonin uptake at SERT (unknown origin)
50003311	1	ChEMBL_1803942 (CHEMBL4276234)	Inhibition of recombinant His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins followed by pCMV-dR8.91 plasmid and ATP addition measured after 60 mins by ADP-Glo assay
50003311	2	ChEMBL_1803941 (CHEMBL4276233)	Inhibition of recombinant His10-tagged ZZ-HCV3C-BRM ATPase-SnAC (636 to 1331 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins followed by pCMV-dR8.91 plasmid and ATP addition measured after 60 mins by ADP-Glo assay
50003311	3	ChEMBL_1803948 (CHEMBL4276240)	Binding affinity to His6-tagged BRG1 ATPase-SnAC (658 to 1361 residues) (unknown origin) expressed in insect sf9 cells by ITC method
50003311	4	ChEMBL_1803965 (CHEMBL4276257)	Binding affinity to N-terminal MBP-fused human BRM RecA domain (705 to 960 residues) expressed in Escherichia coli BL21 Star (DE3) by ITC method
50003311	5	ChEMBL_1803961 (CHEMBL4276253)	Inhibition of full length BRM ATPase (1 to 1572 residues) (unknown origin) expressed in insect sf9 cells preincubated for 5 mins followed by pCMV-dR8.91 plasmid and ATP addition measured after 60 mins by ADP-Glo assay
50003311	6	ChEMBL_1803947 (CHEMBL4276239)	Binding affinity to N-terminal avi-tagged BRM ATPase-SnAC domain (unknown origin) in presence of ADP by SPR assay
50003311	7	ChEMBL_1803966 (CHEMBL4276258)	Binding affinity to N-terminal MBP-fused human BRM RecA domain E852Q mutant expressed in Escherichia coli BL21 Star (DE3) by ITC method
50003311	8	ChEMBL_1803946 (CHEMBL4276238)	Binding affinity to N-terminal avi-tagged BRM ATPase-SnAC domain (unknown origin) in absence of ADP by SPR assay
50003312	1	ChEMBL_1803969 (CHEMBL4276261)	Inverse agonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by HTRF assay
50003312	2	ChEMBL_1803996 (CHEMBL4276288)	Inhibition of human ERG
50003312	3	ChEMBL_1803971 (CHEMBL4276263)	Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by HTRF assay
50003312	4	ChEMBL_1803970 (CHEMBL4276262)	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO-K1 cell membranes
50003312	5	ChEMBL_1803980 (CHEMBL4276272)	Displacement of [3H]-rimonabant from human CB1 receptor expressed in CHO cell membranes after 60 mins by TopCount method
50003312	6	ChEMBL_1803979 (CHEMBL4276271)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 to 30 mins by LC/MS analysis
50003312	7	ChEMBL_1803977 (CHEMBL4276269)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 to 30 mins by LC/MS analysis
50003312	8	ChEMBL_1803976 (CHEMBL4276268)	Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate after 10 to 30 mins by LC/MS analysis
50003312	9	ChEMBL_1803975 (CHEMBL4276267)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 to 30 mins by LC/MS analysis
50003312	10	ChEMBL_1803978 (CHEMBL4276270)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 to 30 mins by LC/MS analysis
50003313	1	ChEMBL_1804040 (CHEMBL4276332)	Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay
50003313	2	ChEMBL_1804042 (CHEMBL4276334)	Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay
50003313	3	ChEMBL_1804041 (CHEMBL4276333)	Inhibition of AXL (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay
50003313	4	ChEMBL_1804075 (CHEMBL4276367)	Inhibition of AXL in human A549 cells assessed as reduction in phosphorylated AXL level preincubated for 1 hr followed by pervanadate phopshatase inhibitor addition and measured after 3 mins by immunoblot analysis
50003313	5	ChEMBL_1804064 (CHEMBL4276356)	Inhibition of N-terminal GST-tagged human TRKA cytoplasmic domain (436 to 790 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	6	ChEMBL_1804063 (CHEMBL4276355)	Inhibition of N-terminal GST-tagged human AXL cytoplasmic domain (464 to 885 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	7	ChEMBL_1804043 (CHEMBL4276335)	Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay
50003313	8	ChEMBL_1804062 (CHEMBL4276354)	Inhibition of N-terminal GST-tagged human MERTK cytoplasmic domain (528 to 999 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	9	ChEMBL_1804067 (CHEMBL4276359)	Inhibition of N-terminal GST-tagged human TYRO3 cytoplasmic domain (453 to 890 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	10	ChEMBL_1804066 (CHEMBL4276358)	Inhibition of N-terminal GST-tagged full length human QIK (1 to 926 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	11	ChEMBL_1804068 (CHEMBL4276360)	Inhibition of N-terminal GST-tagged full length human SLK (1 to 1152 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	12	ChEMBL_1804070 (CHEMBL4276362)	Inhibition of N-terminal GST-tagged human KIT cytoplasmic domain (544 to 976 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	13	ChEMBL_1804073 (CHEMBL4276365)	Inhibition of MERTK in human 697 cells assessed as reduction in phosphorylated MERTK level preincubated for 1 hr followed by pervanadate phopshatase inhibitor addition and measured after 3 mins by immunoblot analysis
50003313	14	ChEMBL_1804061 (CHEMBL4276353)	Inhibition of N-terminal GST-tagged human FLT3 cytoplasmic domain (564 to 993 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	15	ChEMBL_1804069 (CHEMBL4276361)	Inhibition of N-terminal GST-tagged full length human NuaK1 (1 to 661 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	16	ChEMBL_1804065 (CHEMBL4276357)	Inhibition of N-terminal GST-tagged human TRKC cytoplasmic domain (456 to 825 end residues) expressed in baculovirus expression system using fluorecence-labeled substrate by MCE assay
50003313	17	ChEMBL_1804074 (CHEMBL4276366)	Inhibition of FLT3 in human SEM cells assessed as reduction in phosphorylated FLT3 level preincubated for 1 hr followed by pervanadate phopshatase inhibitor addition and measured after 3 mins by immunoblot analysis
50003314	1	ChEBML_1804084	Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50003314	2	ChEMBL_1804082 (CHEMBL4276374)	Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay
50003314	3	ChEMBL_1804084 (CHEMBL4276376)	Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting
50003315	1	ChEMBL_1804104 (CHEMBL4276396)	Transactivation of GAL4-fused human PPARgamma transfected in HEK293BENA cells after 24 hrs by steady glo-luciferase reporter gene assay
50003315	2	ChEMBL_1804107 (CHEMBL4276399)	Agonist activity at PPARgamma in human MKN45 cells assessed as cell differentiation after 5 days by Hoechst 33342 staining-based assay
50003315	3	ChEMBL_1804110 (CHEMBL4276402)	Transactivation of PPARgamma (unknown origin) transfected in human DRO cells after 24 hrs by dual luciferase reporter gene assay
50003317	1	ChEMBL_1804115 (CHEMBL4276407)	Inhibition of HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluorescence assay
50003318	1	ChEMBL_1804125 (CHEMBL4276417)	Agonist activity at human QRFPR expressed in CHO cells co-expressing Galpha16 assessed as increase Ca2+ mobilization after 3 mins by Fluo-4 AM-based scanning fluorometery
50003318	2	ChEMBL_1804126 (CHEMBL4276418)	Antagonist activity at human QRFPR expressed in CHO cells co-expressing Galpha16 assessed as inhibition of 26RFa-induced Ca2+ mobilization preincubated for 15 mins followed by agonist addition measured after 3 mins by Fluo-4 AM-based scanning fluorometery
50003319	1	ChEMBL_1804134 (CHEMBL4276426)	Binding affinity to recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus after 1 hr by TR-FRET displacement assay
50003319	2	ChEMBL_1804135 (CHEMBL4276427)	Binding affinity to recombinant N-terminal His6-tagged P110alpha catalytic domain (unknown origin) after 1 hr by TR-FRET displacement assay
50003319	3	ChEMBL_1804137 (CHEMBL4276429)	Inhibition of human mTOR (1382 to 2549 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	4	ChEMBL_1804139 (CHEMBL4276431)	Inhibition of human PI3Kbeta (118 to 1070 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	5	ChEMBL_1804143 (CHEMBL4276435)	Inhibition of human VPS34 (282 to 879 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	6	ChEMBL_1804138 (CHEMBL4276430)	Inhibition of human PI3Kalpha (108 to 1068 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	7	ChEMBL_1804140 (CHEMBL4276432)	Inhibition of human PI3Kdelta (108 to 1044 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	8	ChEMBL_1804141 (CHEMBL4276433)	Inhibition of human PI3Kgamma (144 to 1102 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	9	ChEMBL_1804142 (CHEMBL4276434)	Inhibition of human PI4Kbeta (1 to 828 residues) expressed in mammalian expression system by KINOMEscan assay
50003319	10	ChEMBL_1804212 (CHEMBL4276504)	Binding affinity to mTOR FKBP12 site (unknown origin)
50003320	1	ChEMBL_1804222 (CHEMBL4276514)	Inhibition of Influenza A virus A/duck/Guangdong/674/2014(H5N6) neuraminidase N6 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay
50003320	2	ChEMBL_1804225 (CHEMBL4276517)	Inhibition of Influenza A virus A/goose/Jiangsu/1306/2014(H5N8) neuraminidase N8 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay
50003320	3	ChEMBL_1804226 (CHEMBL4276518)	Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) neuraminidase N1 H274Y mutant using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay
50003321	1	ChEMBL_1804290 (CHEMBL4276582)	Displacement of [3H]-ketanserine from serotonin 5-HT2A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation counting
50003321	2	ChEMBL_1804294 (CHEMBL4276586)	Displacement of [3H]-lysergic acid diethylamide from human serotonin 5-HT6 receptor expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting
50003321	3	ChEMBL_1804309 (CHEMBL4276601)	Antagonist activity at dopamine D2 receptor long isoform (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay
50003321	4	ChEMBL_1804288 (CHEMBL4276580)	Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum homogenates after 30 mins by liquid scintillation counting
50003321	5	ChEMBL_1804289 (CHEMBL4276581)	Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation counting
50003321	6	ChEMBL_1804292 (CHEMBL4276584)	Displacement of [3H]-mesulergine from serotonin 5-HT2C receptor in rat brain cerebral cortex homogenates incubated for 15 mins by liquid scintillation counting
50003321	7	ChEMBL_1804296 (CHEMBL4276588)	Inhibition of human ERG expressed in HEK293 cells at -50 mV holding potential by patch clamp assay
50003321	8	ChEMBL_1804307 (CHEMBL4276599)	Agonist activity at serotonin 5-HT6R receptor (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 mins by calcium 4-dye based FLIPR assay
50003321	9	ChEMBL_1804315 (CHEMBL4276607)	Antagonist activity at serotonin 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay
50003321	10	ChEMBL_1804347 (CHEMBL4276639)	Displacement of [3H]-paroxetine from SERT in rat cerebral cotex homogenates after 10 mins by liquid scintillation counting
50003321	11	ChEMBL_1804291 (CHEMBL4276583)	Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by liquid scintillation counting
50003321	12	ChEMBL_1804293 (CHEMBL4276585)	Displacement of [3H]-prazosin from alpha-1 adrenergic receptor in rat cerebral cortex homogenates incubated for 60 mins by liquid scintillation counting
50003321	13	ChEMBL_1804295 (CHEMBL4276587)	Displacement of [3H] 7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle homogenates after 60 mins by liquid scintillation counting
50003321	14	ChEMBL_1804311 (CHEMBL4276603)	Antagonist activity at dopamine D3 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay
50003321	15	ChEMBL_1804317 (CHEMBL4276609)	Antagonist activity at serotonin human 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay
50003321	16	ChEMBL_1804342 (CHEMBL4276634)	Displacement of [3H]-5-CT from 5-HT7 receptor in rat cerebral cortex homogenates after 30 mins by liquid scintillation counting
50003321	17	ChEMBL_1804299 (CHEMBL4276591)	Agonist activity at dopamine D2 receptor long isoform (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 min by calcium 4-dye based FLIPR assay
50003321	18	ChEMBL_1804305 (CHEMBL4276597)	Agonist activity at serotonin 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 mins by calcium 4-dye based FLIPR assay
50003321	19	ChEMBL_1804313 (CHEMBL4276605)	Antagonist activity at serotonin 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay
50003321	20	ChEMBL_1804346 (CHEMBL4276638)	Displacement of [3H] methylhistamine from histamine H3 receptor in rat cerebral cotex homogenates after 30 mins by liquid scintillation counting
50003321	21	ChEMBL_1804349 (CHEMBL4276641)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by liquid scintillation counting
50003321	22	ChEMBL_1804351 (CHEMBL4276643)	Displacement of [3H]-QNB from M1 receptor (unknown origin) in cell membrane homogenates after 30 mins by liquid scintillation counting
50003321	23	ChEMBL_1804344 (CHEMBL4276636)	Antagonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced cAMP accumulation preincubated for 15 mins followed by dopamine induction and measured after 30 mins by HTRF assay
50003321	24	ChEMBL_1804301 (CHEMBL4276593)	Agonist activity at dopamine D3 receptor (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 mins by calcium 4-dye based FLIPR assay
50003321	25	ChEMBL_1804303 (CHEMBL4276595)	Agonist activity at serotonin 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 mins by calcium 4-dye based FLIPR assay
50003321	26	ChEMBL_1804341 (CHEMBL4276633)	Displacement of [3H]-SCH23390 from dopamine D1 receptor in rat strriatum homogenates after 20 mins by liquid scintillation counting
50003321	27	ChEMBL_1804345 (CHEMBL4276637)	Displacement of [3H]-rauwolscine from adrenergic alpha2 receptor in rat cerebral cotex homogenates after 60 mins by liquid scintillation counting
50003321	28	ChEMBL_1804353 (CHEMBL4276645)	Displacement of [3H] WIN35,428 from rat striatum homogenate DAT after 8 hrs mins by liquid scintillation counting
50003322	1	ChEMBL_1804355 (CHEMBL4276647)	Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis
50003322	2	ChEMBL_1804356 (CHEMBL4276648)	Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis
50003322	3	ChEMBL_1804354 (CHEMBL4276646)	Binding affinity to human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis
50003322	4	ChEMBL_1804357 (CHEMBL4276649)	Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis
50003322	5	ChEMBL_1804358 (CHEMBL4276650)	Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis
50003322	6	ChEMBL_1804359 (CHEMBL4276651)	Binding affinity to human V1A receptor expressed in CHO cell membranes
50003322	7	ChEMBL_1804362 (CHEMBL4276654)	Displacement of [Ph-Se-acetyl]-LVA from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis
50003322	8	ChEMBL_1804364 (CHEMBL4276656)	Displacement of [125I]OH-LVA from human V1A receptor expressed in African green monkey COS7 cell membranes after 60 mins
50003322	9	ChEMBL_1804361 (CHEMBL4276653)	Displacement of [Sez6]-HO-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis
50000409	12	ChEMBL_1680060 (CHEMBL4030337)	Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by LC-MS/MS analysis
50000437	6	ChEMBL_1681547 (CHEMBL4031824)	Inhibition of human LRRK2 A2016T mutant phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay
50000437	2	ChEMBL_1681545 (CHEMBL4031822)	Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay
50000457	8	ChEMBL_1682049 (CHEMBL4032326)	Binding affinity to human His-tagged LDHA in absence of NADH by SPR assay
50000602	7	ChEMBL_1686409 (CHEMBL4036888)	Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GDP by SPR assay
50003323	2	ChEMBL_1688171 (CHEMBL4038741)	Inhibition of HIV-1 reverse transcriptase E138K mutant infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured at 5 days post infection by MTT assay
50000700	4	ChEMBL_1690842 (CHEMBL4041412)	Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 25 mins by HTRF assay
50000700	3	ChEMBL_1690844 (CHEMBL4041414)	Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and TK-substrate addition measured after 20 mins by HTRF assay
50003325	1	ChEMBL_1691365 (CHEMBL4042014)	Activation of PKC in human platelet assessed as induction of platelet aggregation measured within 15 mins by tribidimetric method
50003327	1	ChEMBL_1692500 (CHEMBL4043390)	Inhibition of NorA in Staphylococcus aureus SA1199B harboring GrlA A116E mutant assessed as inhibition of ethidium bromide efflux after 5 mins by fluorometric method
50000753	4	ChEMBL_1692744 (CHEMBL4043634)	Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay
50000776	2	ChEMBL_1693613 (CHEMBL4044503)	Inhibition of EGFR L858R/T790M mutant (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay
50000776	3	ChEMBL_1693612 (CHEMBL4044502)	Inhibition of wild-type EGFR (unknown origin) using Tyr 4 peptide as substrate in presence of ATP by Z-LYTE kinase assay
50003328	1	ChEMBL_1802830 (CHEMBL4275122)	Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by IMAP based TR-FRET assay
50003328	2	ChEMBL_1802841 (CHEMBL4275133)	Inhibition of human IKKbeta using IKKtide as substrate after 20 mins by [gamma-33P]-ATP based radiometric assay
50003328	3	ChEMBL_1802839 (CHEMBL4275131)	Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current at -80 holding potential after 100 to 200 secs by whole cell automated patch-clamp electrophysiology assay
50003328	4	ChEMBL_1802835 (CHEMBL4275127)	Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 60 mins
50003328	5	ChEMBL_1802833 (CHEMBL4275125)	Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 20 mins
50003328	6	ChEMBL_1802834 (CHEMBL4275126)	Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 40 mins
50003328	7	ChEMBL_1802832 (CHEMBL4275124)	Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured immediately
50003329	1	ChEMBL_1802961 (CHEMBL4275253)	Inhibition of recombinant human ABHD12 expressed in HEK293 cells using 2-OG as substrate pretreated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy analysis
50003329	2	ChEMBL_1802954 (CHEMBL4275246)	Inhibition of recombinant human C-terminal His-tagged MAGL expressed in Escherichia coli using 4-NPA as substrate measured after 30 mins
50003329	3	ChEMBL_1802956 (CHEMBL4275248)	Inhibition of recombinant human C-terminal His-tagged MAGL expressed in Escherichia coli using 4-NPA as substrate pretreated with substrate 15 mins in presence of DTT followed by enzyme addition measured after 30 mins
50003329	4	ChEMBL_1802963 (CHEMBL4275255)	Displacement of [3H]CP55940 from recombinant human CB2 expressed crude membranes after 90 mins by liquid scintillation counting method
50003329	5	ChEMBL_1802962 (CHEMBL4275254)	Displacement of [3H]CP55940 from recombinant human CB1 expressed crude membranes after 90 mins by liquid scintillation counting method
50003329	6	ChEMBL_1802960 (CHEMBL4275252)	Inhibition of recombinant human ABHD6 expressed in HEK293 cells using 2-OG as substrate pretreated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy analysis
50003329	7	ChEMBL_1802959 (CHEMBL4275251)	Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate pretreated for 30 mins followed by substrate addition and measured after 15 mins by liquid scintillation counting method
50003329	8	ChEMBL_1802955 (CHEMBL4275247)	Inhibition of recombinant human C-terminal His-tagged MAGL expressed in Escherichia coli using 4-NPA as substrate pretreated with substrate 15 mins followed by enzyme addition measured after 30 mins
50003330	1	ChEMBL_1802979 (CHEMBL4275271)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method
50003330	2	ChEMBL_1802978 (CHEMBL4275270)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method
50003330	3	ChEMBL_1802980 (CHEMBL4275272)	Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cyclase activity by [alpha-32P]ATP based assay
50003330	4	ChEMBL_1802981 (CHEMBL4275273)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method
50003331	1	ChEMBL_1802994 (CHEMBL4275286)	Inhibition of HDAC1 (unknown origin)
50003331	2	ChEMBL_1802988 (CHEMBL4275280)	Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay
50003331	3	ChEMBL_1802996 (CHEMBL4275288)	Inhibition of PRMT1 (unknown origin)
50003331	4	ChEMBL_1802995 (CHEMBL4275287)	Inhibition of DNMT1 (unknown origin)
50003331	5	ChEMBL_1802987 (CHEMBL4275279)	Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of acetyl-CoA by alphascreen assay
50003331	6	ChEMBL_1802986 (CHEMBL4275278)	Inhibition of recombinant human GST-tagged Gcn5 using H3 as substrate in presence of [3H]-acetyl-CoA by phosphor image analysis
50003331	7	ChEMBL_1802985 (CHEMBL4275277)	Inhibition of p300/CBP (unknown origin)
50003331	8	ChEMBL_1802989 (CHEMBL4275281)	Binding affinity to human His-tagged MOF by SPR analysis
50003331	9	ChEMBL_1802984 (CHEMBL4275276)	Inhibition of Tetrahymena Gcn5 (48 to 210 residues) using histone (3 to 20 residues) peptide substrate in presence of [14C]acetyl CoA by phosphor image analysis
50003332	1	ChEMBL_1803030 (CHEMBL4275322)	Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA binding activity incubated for 10 mins followed by Cy5-labeled double-strand DNA probe addition by microscale thermophoresis assay
50003333	1	ChEMBL_1803074 (CHEMBL4275366)	Inhibition of CDK6/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate after 40 mins
50003333	2	ChEMBL_1803072 (CHEMBL4275364)	Inhibition of CDK2/Cyclin A2 (unknown origin) using FAM-labeled peptide as substrate after 40 mins
50003333	3	ChEMBL_1803073 (CHEMBL4275365)	Inhibition of CDK4/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate after 40 mins
50003334	1	ChEMBL_1803089 (CHEMBL4275381)	Inhibition of yeast 20S proteasome beta2 subunit using SUC-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003334	2	ChEMBL_1803087 (CHEMBL4275379)	Inhibition of 20S proteasome beta5 subunit in human Jurkat cell lysate using Suc-LLVY-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003334	3	ChEMBL_1803098 (CHEMBL4275390)	Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003334	4	ChEMBL_1803099 (CHEMBL4275391)	Inhibition of human immunoproteasome beta5 subunit using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003334	5	ChEMBL_1803088 (CHEMBL4275380)	Inhibition of yeast 20S proteasome beta1 subunit using fluorescent substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50003335	1	ChEMBL_1803164 (CHEMBL4275456)	Inhibition of human DNMT1A using double-stranded hemi-DNA oligonucleotide as substrate measured after 40 mins by [3H]methyl incorporation assay
50003335	2	ChEMBL_1803165 (CHEMBL4275457)	Inhibition of recombinant human N-terminal His-tagged RNMT (1 to 476 residues) expressed in Escherichia coli BL21 using 5'-GpppAGAACCUG-biotin-TEG-3 as substrate after 10 mins by [3H]methyl incorporation assay
50003336	1	ChEMBL_1803170 (CHEMBL4275462)	Inhibition of CD73 in human NCI-H292 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent based assay
50003336	2	ChEMBL_1803169 (CHEMBL4275461)	Inhibition of CD73 in human MDA-MB-231 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent based assay
50003336	3	ChEMBL_1803168 (CHEMBL4275460)	Inhibition of recombinant CD73 (27 to 549 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conversion of AMP to adenosine incubated for 1 min followed by AMP addition measured after 3.5 mins by malachite green reagent based assay
50003337	1	ChEMBL_1803353 (CHEMBL4275645)	Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) co-expressed in baculovirus infected sf9 cells using (FAM)-labeled acetylated peptide substrate after 60 mins by caliper microfluidic mobility shift assay
50003337	2	ChEMBL_1803352 (CHEMBL4275644)	Inhibition of His6-tagged HDAC3/SMRT (395 to 489 residues) (unknown origin) co-expressed in baculovirus infected sf9 cells using (FAM)-labeled acetylated peptide substrate after 17 hrs by caliper microfluidic mobility shift assay
50003337	3	ChEMBL_1803345 (CHEMBL4275637)	Inhibition of HDAC3 (unknown origin)
50003338	1	ChEMBL_162397 (CHEMBL769344)	Inhibitory activity against protein kinase C (PKC)
50003339	1	ChEMBL_48426 (CHEMBL660354)	Compound was evaluated for its affinity against Cholecystokinin type B receptor in mouse cerebral cortex
50003339	2	ChEMBL_49875 (CHEMBL661644)	In vitro affinity against Cholecystokinin type A receptor in guinea pig pancreatic cell
50003340	1	ChEMBL_34808 (CHEMBL644584)	Binding affinity to Angiotensin II receptor, type 1 as displacement of 125I-Sar, Ile-AII from rat adrenal cortex membranes
50003341	1	ChEMBL_36177 (CHEMBL649491)	Inhibition of [125I]AII binding to guinea pig adrenal membrane
50003343	1	ChEMBL_34811 (CHEMBL648955)	Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane using [125I]-angiotensin II (0.1 nM)
50003344	1	ChEMBL_34807 (CHEMBL644583)	Binding affinity against Angiotensin II receptor, type 1 using [125I]Sar-Ile8-AII in rat liver membranes
50003345	1	ChEMBL_36476 (CHEMBL651545)	Tested in vitro for inhibition of [125I]AII to rat uterine membranes
50003346	1	ChEMBL_140076 (CHEMBL747454)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 240-290
50003346	2	ChEMBL_140077 (CHEMBL752357)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 28-58
50003346	3	ChEMBL_140082 (CHEMBL752362)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB);
50003346	4	ChEMBL_140075 (CHEMBL747453)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 21-36
50003346	5	ChEMBL_140081 (CHEMBL752361)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 75-170
50003346	6	ChEMBL_140074 (CHEMBL747452)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 18-21
50003346	7	ChEMBL_140078 (CHEMBL752358)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 48-100
50003346	8	ChEMBL_140204 (CHEMBL745759)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 730-1300
50003346	9	ChEMBL_140202 (CHEMBL745757)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 4300-9500
50003346	10	ChEMBL_140203 (CHEMBL745758)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 530-1100
50003346	11	ChEMBL_140201 (CHEMBL745756)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 3400-4200
50003346	12	ChEMBL_140079 (CHEMBL752359)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 62-70
50003346	13	ChEMBL_140199 (CHEMBL745754)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 1500-7200
50003346	14	ChEMBL_140073 (CHEMBL747451)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 120-220
50003346	15	ChEMBL_140205 (CHEMBL745760)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 9700-23000
50003346	16	ChEMBL_140080 (CHEMBL752360)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]oxotremorine-M (OXO-M); Range is 65-260
50003346	17	ChEMBL_140083 (CHEMBL752363)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 10000-110000
50003346	18	ChEMBL_140200 (CHEMBL745755)	Compound was tested for its ability to inhibit muscarinic receptor in rat cerebral cortex using [3H]quinuclidinyl benzilate (QNB); Range is 330-360
50003347	1	ChEMBL_217678 (CHEMBL819972)	Displacement of [3H]nitrendipine from calcium channel receptors (CCRs)
50003347	2	ChEMBL_217679 (CHEMBL819973)	Displacement of [3H]nitrendipine from calcium channel receptors (CCRs) from rat cortex homogenate
50003347	3	ChEMBL_217680 (CHEMBL819974)	Inhibitory constant against calcium channel receptors (CCRs)
50003347	4	ChEMBL_217681 (CHEMBL819975)	Inhibitory constant against calcium channel receptors (CCRs) from rat cortex homogenate
50003348	1	ChEMBL_34505 (CHEMBL649633)	In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine
50003348	2	ChEMBL_32413 (CHEMBL648048)	In vitro binding affinity at Alpha-1 adrenergic receptor by radioligand binding assay using [3H]prazosin
50003349	1	ChEMBL_162373 (CHEMBL769180)	In vitro inhibition of protein kinase C from rat brain.
50003350	1	ChEMBL_40568 (CHEMBL856067)	Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase
50003350	2	ChEMBL_41019 (CHEMBL655037)	Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase
50003350	3	ChEMBL_40881 (CHEMBL653635)	Concentration required for its inhibitory activity against Proteus mirabilis C889 class A beta-lactamase
50003350	4	ChEMBL_41045 (CHEMBL650467)	Concentration required for its inhibitory activity against Staphylococcus aureus Russel class A beta-lactamase
50003350	5	ChEMBL_40572 (CHEMBL651419)	Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase
50003350	6	ChEMBL_40569 (CHEMBL651416)	Concentration required for its inhibitory activity against Escherichia coli K12(OXA1) class D beta-lactamase
50003350	7	ChEMBL_40413 (CHEMBL652628)	Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase
50003351	1	ChEMBL_201062 (CHEMBL805838)	Compound was tested for binding affinity against 5-HT4 receptor in guinea pig striata using [3H]GR-113808 as radioligand
50003351	2	ChEMBL_201191 (CHEMBL801210)	Compound was tested against 5-HT4 receptor through agonism of 5-HT mediated relaxation of rat, carbachol contracted esophageal muscularis mucosae
50003352	1	ChEMBL_43536 (CHEMBL656267)	Antiviral activity against HIV-1 in CEM cells
50003353	1	ChEMBL_155861 (CHEMBL768907)	Equilibrium binding affinity against histamine-62 residue of phosphoglycerokinase in yeast
50003353	2	ChEMBL_155859 (CHEMBL768905)	Equilibrium binding affinity against histamine-167 residue of phosphoglycerokinase in yeast
50003353	3	ChEMBL_155860 (CHEMBL768906)	Equilibrium binding affinity against histamine-170 residue of phosphoglycerokinase in yeast
50003354	1	ChEMBL_222611 (CHEMBL846287)	Inhibition of phosphodiesterase 3
50003355	1	ChEMBL_162408 (CHEMBL766548)	Inhibition of protein kinase C (PKC) isozyme
50003356	1	ChEMBL_140225 (CHEMBL744069)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 1500-7200
50003356	2	ChEMBL_140223 (CHEMBL744067)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 11000-17000
50003356	3	ChEMBL_140220 (CHEMBL745771)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 990-1300
50003356	4	ChEMBL_140215 (CHEMBL745767)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 330-620
50003356	5	ChEMBL_140209 (CHEMBL745764)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 23-35
50003356	6	ChEMBL_140221 (CHEMBL745772)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand
50003356	7	ChEMBL_140208 (CHEMBL745763)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 120-220
50003356	8	ChEMBL_140216 (CHEMBL745768)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 46-110
50003356	9	ChEMBL_140226 (CHEMBL744070)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 15000-15000
50003356	10	ChEMBL_140217 (CHEMBL873445)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 51-93
50003356	11	ChEMBL_140224 (CHEMBL744068)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 1200-1800
50003356	12	ChEMBL_140206 (CHEMBL745761)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand
50003356	13	ChEMBL_138194 (CHEMBL747838)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 4300-9500
50003356	14	ChEMBL_138193 (CHEMBL747837)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 2100-2300
50003356	15	ChEMBL_138197 (CHEMBL747840)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 8000-8500
50003356	16	ChEMBL_140218 (CHEMBL745769)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 65-260
50003356	17	ChEMBL_138198 (CHEMBL748427)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 900-1500
50003356	18	ChEMBL_138199 (CHEMBL748428)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 9100-9600
50003356	19	ChEMBL_140227 (CHEMBL744071)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 18000-23000
50003356	20	ChEMBL_140211 (CHEMBL745766)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 2300-3500
50003356	21	ChEMBL_140219 (CHEMBL745770)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 840-1200
50003356	22	ChEMBL_138196 (CHEMBL872727)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 4700-6700
50003356	23	ChEMBL_140207 (CHEMBL745762)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 120-180
50003356	24	ChEMBL_140214 (CHEMBL745627)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 28-58
50003356	25	ChEMBL_138195 (CHEMBL747839)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 440-490
50003356	26	ChEMBL_140213 (CHEMBL745626)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 26-36
50003356	27	ChEMBL_140212 (CHEMBL745911)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 240-290
50003356	28	ChEMBL_140210 (CHEMBL745765)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- oxotremorine-M (OXO-M) using as a radioligand; Value ranges from 23-58
50003356	29	ChEMBL_138200 (CHEMBL748429)	In vitro binding affinity against Muscarinic receptor in rat cerebral cortex using [3H]- quinuclidinyl benzilate (QNB)using as a radioligand; Value ranges from 9700-23000
50003357	1	ChEMBL_46293 (CHEMBL661062)	Binding affinity was determined in vitro against cannabinoid receptor by ability to displace [3H]CP-55940
50003358	1	ChEMBL_138209 (CHEMBL748438)	Binding affinity for muscarinic receptor site in rat hippocampus was determined using competitive radioligand binding assays employing [3H]OXO-M
50003359	1	ChEMBL_79808 (CHEMBL696068)	Compound was tested for inhibitory activity against isolated HIV-1 protease
50003361	1	ChEMBL_96761 (CHEMBL705239)	In vitro inhibition of Lanosterol 14-alpha demethylase (Candida albicans CY1005)
50003362	1	ChEMBL_58468 (CHEMBL670399)	Binding affinity towards dopamine D2 receptor
50003362	2	ChEMBL_86934 (CHEMBL697113)	Binding affinity towards rat histamine H3 receptor
50003363	1	ChEMBL_143038 (CHEMBL751909)	In vitro binding affinity against human NK1 receptor expressed in CHO cells using [3H]-substance P as radioligand
50003364	1	ChEMBL_213121 (CHEMBL818200)	Concentration required for in vitro inhibitory activity against human type II phospholipase A2
50003365	1	ChEMBL_128 (CHEMBL615352)	Tested in vitro for inhibition of chymotrypsin like activity of purified human 20S proteasome
50003368	1	ChEMBL_162534 (CHEMBL767438)	Inhibition of Protein kinase C
50003368	2	ChEMBL_161890 (CHEMBL772599)	Inhibition of Protein kinase A
50003368	3	ChEMBL_43103 (CHEMBL657560)	Inhibition of Calcium/calmodulin-dependent protein kinase type II
50003369	1	ChEMBL_54528 (CHEMBL663874)	Inhibitory activity against DNA topoisomerase II
50003369	2	ChEMBL_54529 (CHEMBL663875)	Inhibitory activity against topo II-mediated decatenation of DNA
50003370	1	ChEMBL_104785 (CHEMBL714928)	Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/Ka
50003371	1	ChEMBL_52368 (CHEMBL663203)	Binding affinity to the leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes assayed using [3H]LTD4 as radioligand
50003371	2	ChEMBL_52369 (CHEMBL663204)	Binding affinity against leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes using [3H]LTD4 as radio ligand
50003372	1	ChEMBL_211340 (CHEMBL815033)	Inhibition of tubulin polymerization with preincubation for 15 minutes at 37 degree Centigrade prior to addition of the GTP required for polymerization
50003372	2	ChEMBL_211316 (CHEMBL818976)	Evaluated for the inhibition of tubulin polymerization without pre-incubation
50003372	3	ChEMBL_225811 (CHEMBL845251)	Compound was evaluated for the inhibition of tubulin polymerization without pre-incubation
50003373	1	ChEMBL_101211 (CHEMBL714426)	Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membranes.
50003374	1	ChEMBL_50597 (CHEMBL875378)	Inhibition against DNA gyrase
50003375	1	ChEMBL_100133 (CHEMBL712412)	The negative logarithm of the concentration of antagonist that inhibits 50% of the binding of 125 I-labeled leuprolide to the rat pituitary LHRH receptor
50003376	1	ChEMBL_138221 (CHEMBL748609)	Binding affinity for [3H]QNB in membrane preparations from rat brain tissue
50003377	1	ChEMBL_138217 (CHEMBL748605)	The compound is evaluated for binding affinity against central muscarinic receptor by using [3H]- QNB as radioligand
50003378	1	ChEMBL_46284 (CHEMBL657056)	Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes
50003378	2	ChEMBL_46283 (CHEMBL657055)	Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes
50003379	1	ChEMBL_143062 (CHEMBL858020)	Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand
50003381	1	ChEMBL_33458 (CHEMBL649183)	Binding affinity against alpha-1 adrenoceptor
50003381	2	ChEMBL_32938 (CHEMBL646080)	Binding affinity against alpha-2 adrenoceptor
50003381	3	ChEMBL_2019 (CHEMBL617314)	Binding affinity against 5-hydroxytryptamine 1D receptor alpha
50003381	4	ChEMBL_1522 (CHEMBL616156)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT
50003381	5	ChEMBL_1667 (CHEMBL616658)	In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine
50003381	6	ChEMBL_62939 (CHEMBL881939)	Binding affinity against dopamine D3 receptor
50003381	7	ChEMBL_2045 (CHEMBL857976)	Binding affinity against 5-hydroxytryptamine 1D receptor beta
50003381	8	ChEMBL_58998 (CHEMBL671820)	Binding affinity against dopamine receptor D1
50003381	9	ChEMBL_1821 (CHEMBL616793)	In vitro binding affinity towards 5-hydroxytryptamine 1B receptor in rat striatal membrane with [125I]- iodocyanopindolol
50003381	10	ChEMBL_61315 (CHEMBL670090)	Binding affinity against dopamine D2 receptor
50003381	11	ChEMBL_139977 (CHEMBL749032)	Binding affinity against muscarinic M1 receptor
50003381	12	ChEMBL_61350 (CHEMBL858396)	Binding affinity against dopamine D4 receptor
50003381	13	ChEMBL_1523 (CHEMBL616157)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus with [3H]8-OH-DPAT
50003381	14	ChEMBL_138259 (CHEMBL743976)	Binding affinity against muscarinic M3 receptor
50003381	15	ChEMBL_140124 (CHEMBL748367)	Binding affinity against muscarinic M2 receptor
50003381	16	ChEMBL_305 (CHEMBL615280)	Binding affinity against 5-hydroxytryptamine 4 receptor
50003381	17	ChEMBL_3535 (CHEMBL619202)	Tested for 5-hydroxytryptamine receptor uptake
50003382	1	ChEMBL_58824 (CHEMBL671909)	Inhibition of [3H]-SCH- 23390 binding to dopamine receptor D1 rat striatal membrane
50003382	2	ChEMBL_2431 (CHEMBL617267)	Inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor rat frontal cortex membrane
50003382	3	ChEMBL_60966 (CHEMBL671586)	Inhibition of [3H]-spiperone 23390 binding to dopamine receptor D2 rat striatal membrane
50003383	1	ChEMBL_36463 (CHEMBL653116)	Tested for in vitro binding affinity against angiotensin II receptor of rat liver
50003384	1	ChEMBL_156457 (CHEMBL764835)	In vitro inhibitory activity against cAMP phosphodiesterase III in dog aorta
50003385	1	ChEMBL_104925 (CHEMBL714705)	Binding affinity to melatonin receptor measured on ovine pars tuberalis membrane
50003385	2	ChEMBL_104924 (CHEMBL714704)	Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane.
50018286	39	ChEMBL_2268758	Inhibition of JAK2 (unknown origin) by 33P-ATP radiolabeled assay
50003386	1	ChEMBL_202557 (CHEMBL804530)	Inhibition of binding to sodium channel of rat cerebral cortex
50003387	1	ChEMBL_211352 (CHEMBL873906)	Inhibition of bovine tubulin polymerization
50018286	40	ChEMBL_2268759	Inhibition of FLT3 (unknown origin) by 33P-ATP radiolabeled assay
50003389	1	ChEMBL_48428 (CHEMBL660356)	Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for Cholecystokinin type B receptor binding sites in mouse cortical homogenates
50003389	2	ChEMBL_49877 (CHEMBL663393)	Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for Cholecystokinin type A receptor binding sites on guinea pig-pancreatic cells
50003390	1	ChEMBL_200340 (CHEMBL806572)	Dissociation constant binding to somatostatin receptor of At-20 mouse pituitary carcinoma cell membranes
50003391	1	ChEMBL_46145 (CHEMBL660018)	Tested for affinity of compound against cannabinoid receptor in rat forebrain membranes
50003392	1	ChEMBL_36348 (CHEMBL651155)	Tested for the binding affinity using radioligand [125I]-Sar1 Ile8-AII in the rat adrenal capsular membranes (adrenal cortex)
50003393	1	ChEMBL_35428 (CHEMBL643602)	In vitro inhibition of specific binding of [125 I] A II to rat liver membrane.
50003394	1	ChEMBL_100131 (CHEMBL858015)	Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor.
50003395	1	ChEMBL_36515 (CHEMBL650014)	Inhibitory activity against aspartyl protease
50003396	1	ChEMBL_60346 (CHEMBL671332)	Binding affinity towards Dopamine receptor D1 of calf striatal tissue using [3H]SCH-23390
50003396	2	ChEMBL_2712 (CHEMBL617272)	Binding affinity towards 5-hydroxytryptamine 3 receptor in membranes of N1E-115 neuroblastoma cells using [3H]-ICS 205-930; Not determined
50003396	3	ChEMBL_2795 (CHEMBL617864)	Binding affinity towards 5-hydroxytryptamine 1D receptor in calf caudate membranes using [3H]5-HT
50003396	4	ChEMBL_59774 (CHEMBL671055)	Binding affinity towards Dopamine receptor D2 of calf striatal tissue using [3H]spiperone
50003396	5	ChEMBL_2711 (CHEMBL617271)	Binding affinity towards 5-hydroxytryptamine 3 receptor in membranes of N1E-115 neuroblastoma cells using [3H]-ICS 205-930
50003396	6	ChEMBL_33104 (CHEMBL645957)	Binding affinity towards Alpha-1 adrenergic receptor of calf brain cortex using [3H]prazosin
50003396	7	ChEMBL_1082 (CHEMBL616405)	Binding affinity towards 5-hydroxytryptamine 1A receptor in pig frontal cortex membranes using [8H]-OH-DPAT
50003396	8	ChEMBL_33043 (CHEMBL648057)	Binding affinity towards Alpha-2 adrenergic receptor of calf brain cortex using [3H]clonidine
50003396	9	ChEMBL_3113 (CHEMBL617956)	Binding affinity towards 5-hydroxytryptamine 2A receptor in rat cortex preparations using [3H]ketanserin
50003396	10	ChEMBL_3114 (CHEMBL617957)	Binding affinity towards 5-hydroxytryptamine 2A receptor in rat cortex preparations using [3H]ketanserin
50003396	11	ChEMBL_1643 (CHEMBL616735)	Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex membranes using [125]ICYP
50003396	12	ChEMBL_1816 (CHEMBL616788)	Binding affinity towards 5-hydroxytryptamine 2C receptor of porcine choroid plexus using [3H]mesulergine
50003396	13	ChEMBL_2796 (CHEMBL617649)	Binding affinity towards 5-hydroxytryptamine 1D receptor in calf caudate membranes using [3H]5-HT; Not determined
50003397	1	ChEMBL_195369 (CHEMBL802407)	Inhibitory activity against HIV-1 reverse transcriptase
50003398	1	ChEMBL_141175 (CHEMBL750672)	Inhibitory activity against Candida albicans N-Myristoyltransferase (NMT).
50003398	2	ChEMBL_141306 (CHEMBL748920)	Inhibitory activity against human N-Myristoyltransferase (NMT).
50003398	3	ChEMBL_141311 (CHEMBL882641)	Apparent binding affinity against Human NMT.
50003398	4	ChEMBL_141180 (CHEMBL750677)	Apparent binding affinity against Candida albicans N-Myristoyltransferase (NMT).
50003399	1	ChEMBL_104757 (CHEMBL712440)	Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes
50003399	2	ChEMBL_104759 (CHEMBL710991)	Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2
50003399	3	ChEMBL_104758 (CHEMBL710990)	Effect of compound on Melatonin receptor in chicken brain in the presence of GTP-gamma-S
50003400	1	ChEMBL_129 (CHEMBL615353)	Compound was evaluated for inhibitory activity against 20S proteasome from human liver and brain
50003402	1	ChEMBL_66864 (CHEMBL675203)	Irreversible inhibition of [3H]estradiol binding to lamb uterine estrogen receptor
50003403	1	ChEMBL_34948 (CHEMBL647791)	Specific binding inhibition of [125I]AII to Angiotensin II receptor, type 1 in rat liver membrane
50003404	1	ChEMBL_156756 (CHEMBL761478)	Inhibition of cAMP PDE 3
50003404	2	ChEMBL_156755 (CHEMBL761477)	Inhibition of cAMP PDE 3
50003406	1	ChEMBL_204599 (CHEMBL813361)	Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats
50003408	1	ChEMBL_35116 (CHEMBL647025)	Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1
50003409	1	ChEMBL_33234 (CHEMBL645793)	In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin as radioligand
50003410	1	ChEMBL_54345 (CHEMBL669720)	In vitro 50% inhibition of topoisomerase II mediated k-DNA decatenation
50003411	1	ChEMBL_200080 (CHEMBL805640)	The SKCa-blocking action was assessed by its ability to inhibit the after hyperpolarization (AHP) in cultured rat sympathetic neurones
50003413	1	ChEMBL_2325 (CHEMBL617532)	Binding affinity against 5-hydroxytryptamine 2 receptor from rat frontal cortex using [125]-(R)-DOI as radioligand
50003414	1	ChEMBL_209381 (CHEMBL812073)	Binding affinity against tachykinin receptor 2 from rat colon.
50003414	2	ChEMBL_205398 (CHEMBL817415)	The compound was tested for binding affinity against Tachykinin receptor 1 from guinea pig trachea
50003414	3	ChEMBL_209387 (CHEMBL857873)	The compound was tested for binding affinity against Tachykinin receptor 3 from guinea pig cerebral cortex
50003414	4	ChEMBL_208844 (CHEMBL858017)	The compound was tested for binding affinity against Tachykinin receptor 2 from guinea pig trachea
50003414	5	ChEMBL_208637 (CHEMBL857874)	The compound was tested for binding affinity against Tachykinin receptor 1 from rabbit cortex
50003414	6	ChEMBL_209213 (CHEMBL814712)	The compound was tested for binding affinity against Tachykinin receptor 2 from human expressed in CHO cells
50003415	1	ChEMBL_215122 (CHEMBL820388)	Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes
50003417	1	ChEMBL_48425 (CHEMBL660353)	Competition with 20 pM [125I]BH-CCK-8S for Cholecystokinin type B receptor binding sites in mouse cortical homogenates
50003417	2	ChEMBL_49874 (CHEMBL857786)	Competition with 20 pM [125I]BH-CCK-8S at Cholecystokinin type A receptor binding sites on guinea pig pancreatic cells
50003418	1	ChEMBL_1511 (CHEMBL616343)	Inhibition of [3H]2-(di-N-propylamino)-8-hydroxytetralin binding to 5-HT1A receptor of rat frontal cortex homogenates
50003419	1	ChEMBL_36341 (CHEMBL650168)	Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats
50003420	1	ChEMBL_155873 (CHEMBL769592)	IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity.
50003420	2	ChEMBL_155872 (CHEMBL769591)	IC50 was measured as concentration causing 50% inhibition of lysosomal phospholipase A1 activity
50003421	1	ChEMBL_205900 (CHEMBL814484)	Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cells
50003422	1	ChEMBL_54196 (CHEMBL667218)	Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia
50003422	2	ChEMBL_54195 (CHEMBL667217)	Inhibitory activity for 50% on topoisomerase II isolated from Giardia lamblia
50003423	1	ChEMBL_104754 (CHEMBL712437)	Binding affinity in chicken brain membranes by using [2-125I]melatonin in a competition radioligand binding assay
50003423	2	ChEMBL_104611 (CHEMBL713590)	Binding affinity in chicken brain membranes by using [2-125I]melatonin in a competition radioligand binding assay.
50003424	1	ChEMBL_84111 (CHEMBL699475)	H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)
50003425	1	ChEMBL_157199 (CHEMBL768612)	Inhibition of cAMP hydrolysis by the human phosphodiesterase 4B enzyme
50003426	1	ChEMBL_139587 (CHEMBL747589)	Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.
50003427	1	ChEMBL_157200 (CHEMBL767095)	Displacement of [3H]rolipram from mouse brain homogenates
50003427	2	ChEMBL_157052 (CHEMBL769675)	Inhibition of Phosphodiesterase 4
50003428	1	ChEMBL_1512 (CHEMBL616344)	Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement
50003429	1	ChEMBL_60838 (CHEMBL675981)	Binding affinity against cloned human Dopamine receptor D4 using [3H]nemonapride as radioligand
50003429	2	ChEMBL_60379 (CHEMBL672215)	Binding affinity against cloned human Dopamine receptor D2 (long) using [125I]iodosulpiride as radioligand
50003430	1	ChEMBL_212008 (CHEMBL815108)	Inhibitory activity of the compound against tubulin polymerization
50003431	1	ChEMBL_196871 (CHEMBL804354)	Inhibitory activity against S-adenosyl-L-homocysteine hydrolase from rabbit erythrocytes
50003432	1	ChEMBL_34081 (CHEMBL647973)	Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain using 0.2 nM [3H]rauwolscine as radioligand
50003432	2	ChEMBL_34303 (CHEMBL652747)	Alpha-1 adrenergic receptor binding affinity in rat brain membranes
50003432	3	ChEMBL_33312 (CHEMBL645608)	Alpha-2 adrenergic receptor antagonistic activity in human blood platelets.
50003432	4	ChEMBL_34202 (CHEMBL649219)	Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain.
50003432	5	ChEMBL_33156 (CHEMBL642941)	50% Molar effective concentration for agonistic activity against Alpha-1 adrenergic receptor in rat aorta
50003432	6	ChEMBL_33708 (CHEMBL647531)	50% Molar effective concentration for agonistic activity against Alpha-1 adrenergic receptor in rat aorta
50003432	7	ChEMBL_33313 (CHEMBL645609)	Antagonistic activity against Alpha-2 adrenergic receptor in human blood platelets
50003432	8	ChEMBL_33707 (CHEMBL647530)	50% Molar effective concentration afainst Alpha-1 adrenergic receptor in rat aorta
50003433	1	ChEMBL_104760 (CHEMBL710992)	In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes
50003433	2	ChEMBL_104755 (CHEMBL712438)	Binding affinity towards melatonin receptor
50003434	1	ChEMBL_138501 (CHEMBL878557)	Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (parotid glands) was determined by competition radioligand -[3H]- QNB binding assay
50003434	2	ChEMBL_138503 (CHEMBL749876)	Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (heart)was determined by competition radioligand -[3H]- QNB binding assay
50003434	3	ChEMBL_138506 (CHEMBL748412)	Receptor binding affinity against Muscarinic acetylcholine receptor from guinea pig heart was determined using [3H]- QNB as radioligand
50003434	4	ChEMBL_138502 (CHEMBL749875)	Receptor binding affinity (Ki) against Muscarinic acetylcholine receptor (cerebral cortex) was determined by competition radioligand -[3H]- QNB binding assay
50003434	5	ChEMBL_138505 (CHEMBL748411)	Receptor binding affinity against Muscarinic acetylcholine receptor from guinea pig cerebral cortex was determined using [3H]- QNB as radioligand
50003434	6	ChEMBL_138504 (CHEMBL748410)	Receptor binding affinity (Ki) for Muscarinic acetylcholine receptor (urinary bladder) was determined by competition radioligand -[3H]- QNB binding assay
50003434	7	ChEMBL_138507 (CHEMBL748413)	Receptor binding affinity against Muscarinic acetylcholine receptor from guinea pig parotid gland was determined using [3H]- QNB as radioligand
50003434	8	ChEMBL_138508 (CHEMBL748414)	Receptor binding affinity against Muscarinic acetylcholine receptor from guinea pig urinary bladder was determined using [3H]- QNB as radioligand
50003435	1	ChEMBL_65909 (CHEMBL679353)	Binding affinity for estrogen receptor, by competition with [3H]estradiol
50003436	1	ChEMBL_88815 (CHEMBL698870)	Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus C 7
50003436	2	ChEMBL_88812 (CHEMBL696848)	Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus
50003436	3	ChEMBL_88814 (CHEMBL698869)	Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus 11481
50003436	4	ChEMBL_88817 (CHEMBL698872)	Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus NCTC 3571
50003436	5	ChEMBL_88818 (CHEMBL698873)	compound was tested for inhibitory activity of isoleucyl-tRNA synthetase (IRS). 
50003436	6	ChEMBL_88813 (CHEMBL696849)	Inhibitory activity against isoleucyl-tRNA synthetase (IRS) of Staphylococcus aureus 11481
50003437	1	ChEMBL_38477 (CHEMBL650854)	Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol (ICYP)
50003437	2	ChEMBL_209765 (CHEMBL857876)	Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand
50003437	3	ChEMBL_37522 (CHEMBL647365)	Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol (ICYP).) PR = potency ratio relative to TMQ
50003438	1	ChEMBL_197573 (CHEMBL873116)	SKCa-blocking activity by its ability to inhibit after hyperpolarization (AHP) in cultured rat sympathetic neurons
50003438	2	ChEMBL_197575 (CHEMBL804026)	SKCa-blocking activity as inhibitino of after hyperpolarization (AHP) in cultured rat sympathetic neurons; No activity at maximal dose used
50003438	3	ChEMBL_197574 (CHEMBL804025)	SKCa-blocking activity as inhibition of after hyperpolarization (AHP) in cultured rat sympathetic neurons; Insufficient activity at maximal dose used
50003439	1	ChEMBL_33592 (CHEMBL647141)	Binding affinity towards bovine clonal Alpha-1A adrenergic receptor
50003439	2	ChEMBL_34315 (CHEMBL859457)	Binding affinity towards hamster clonal Alpha-1B adrenergic receptor
50003439	3	ChEMBL_34166 (CHEMBL858093)	In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens
50003439	4	ChEMBL_33599 (CHEMBL652807)	In vitro agonist potency towards Alpha-1A adrenergic receptor in canine prostate
50003439	5	ChEMBL_32747 (CHEMBL858091)	In vitro agonist potency towards Alpha-1D adrenergic receptor in rat aorta
50003439	6	ChEMBL_32868 (CHEMBL859455)	Binding affinity towards rat clonal Alpha-1D adrenergic receptor
50003439	7	ChEMBL_34174 (CHEMBL648413)	Binding affinity towards Alpha-1A adrenergic receptor in rat submaxillary glands
50003439	8	ChEMBL_32289 (CHEMBL646236)	In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleen
50003440	1	ChEMBL_1508 (CHEMBL616340)	Binding affinity against native 5-HT1A-receptors from rat hippocampus using radioligand ([3H]8-hydroxy-2-(di-n-propylamino)-tetraline) binding assay
50003440	2	ChEMBL_33885 (CHEMBL643757)	Compound was tested for binding affinity against human hippocampus Alpha-1A adrenergic receptor using radioligand ([3H]prazosin) binding assay
50003440	3	ChEMBL_32870 (CHEMBL648010)	Compound was tested for binding affinity against cloned Alpha-1D adrenergic receptor from rat brain.
50003440	4	ChEMBL_32636 (CHEMBL642293)	Binding affinity against native Alpha-2 adrenergic receptor from rat cerebral cortex using radioligand ([3H]rauwolscine) binding assay
50003440	5	ChEMBL_60945 (CHEMBL673070)	Compound was evaluated for inhibition activity against Dopamine receptor D2 from rat
50003440	6	ChEMBL_34317 (CHEMBL648101)	Compound was tested for binding affinity against cloned Alpha-1B adrenergic receptor from hamster smooth muscle using radioligand ([3H]prazosin) binding assay
50003440	7	ChEMBL_60953 (CHEMBL670972)	Compound was tested for binding affinity against native Dopamine receptor D2 from rat striatum using radioligand [3H]-spiperone)
50003440	8	ChEMBL_32869 (CHEMBL648009)	Compound was tested for binding affinity against cloned Alpha-1D adrenergic receptor from rat brain using radioligand ([3H]prazosin) binding assay
50003440	9	ChEMBL_33593 (CHEMBL652802)	Compound was tested for binding affinity against cloned Alpha-1A adrenergic receptor from bovine brain using radioligand ([3H]prazosin) binding assay
50003440	10	ChEMBL_34173 (CHEMBL857770)	Binding affinity against native Alpha-1A adrenergic receptor from rat hippocampus pretreated with chloroethylclonidine using radioligand ([3H]prazosin) binding assay
50003440	11	ChEMBL_32297 (CHEMBL646244)	Compound was tested for binding affinity against native Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay
50003440	12	ChEMBL_33135 (CHEMBL642090)	Binding affinity against native Alpha-1 adrenergic receptor from rat cerebral cortex using radioligand [3H]-prazosin binding assay
50003440	13	ChEMBL_32296 (CHEMBL646243)	Compound was tested for binding Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay
50003440	14	ChEMBL_1507 (CHEMBL616339)	Binding affinity against native 5-HT1A-receptors from rat hippocampus using radioligand ([3H]- 8-hydroxy-2-(di-n-propylamino)tetraline) binding assay
50003440	15	ChEMBL_34614 (CHEMBL645572)	Compound was tested for binding affinity against human hippocampus Alpha-1B adrenergic receptor using radioligand ([3H]-prazosin) binding assay
50003440	16	ChEMBL_32600 (CHEMBL640173)	Compound was tested for binding affinity against human hippocampus Alpha-1D adrenergic receptor using radioligand ([3H]prazosin) binding assay
50003440	17	ChEMBL_34613 (CHEMBL645571)	Compound was tested for binding affinity against human hippocampus Alpha-1B adrenergic receptor using radioligand ([3H]prazosin) binding assay
50003441	1	ChEMBL_54725 (CHEMBL668338)	Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.
50003442	1	ChEMBL_66550 (CHEMBL677817)	Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol
50003442	2	ChEMBL_66547 (CHEMBL677814)	Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol
50003443	1	ChEMBL_172745 (CHEMBL782309)	Compound tested in vitro for [Ca2+] influx into neonatal rat dorsal root ganglia (DRG)
50003445	1	ChEMBL_75878 (CHEMBL686745)	Inhibitory effect against Escherichia coli Gyrase in Supercoiling assay
50003446	1	ChEMBL_105563 (CHEMBL711159)	Compound was tested for its ability to displace metabotropic glutamate binding to rat brain membranes using [3H]glutamate radioligand.
50003447	1	ChEMBL_155996 (CHEMBL764741)	Inhibitory activity against calmodulin-dependent Phosphodiesterase was reported.
50003448	1	ChEMBL_158427 (CHEMBL763068)	Inhibitory activity against Prostaglandin G/H synthase
50003449	1	ChEMBL_104619 (CHEMBL715567)	Binding affinity towards melatonin receptor in chicken brain.
50003449	2	ChEMBL_104620 (CHEMBL715568)	Binding affinity towards melatonin receptor in Chicken brain Experiment 1
50003449	3	ChEMBL_104752 (CHEMBL712435)	Binding affinity towards melatonin receptor in Chicken retinal membranes
50003449	4	ChEMBL_104751 (CHEMBL715876)	Binding affinity towards melatonin receptor in Chicken brain Experiment 2
50003450	1	ChEMBL_48427 (CHEMBL660355)	In vitro inhibitory activity against Cholecystokinin type B receptor using [125I]BH-CCK-8S as radioligand in mouse cortical membranes
50003450	2	ChEMBL_49876 (CHEMBL663392)	In vitro inhibitory activity against Cholecystokinin type A receptor using [125I]BH-CCK-8S as radioligand in guinea pig pancreatic cells
50003451	1	ChEMBL_65877 (CHEMBL681169)	Affinity estrogen receptor of MCF-7 human mammary cancer cells
50003451	2	ChEMBL_100746 (CHEMBL710042)	Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells
50003451	3	ChEMBL_100747 (CHEMBL710043)	Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells
50003451	4	ChEMBL_65876 (CHEMBL681168)	Affinity for estrogen receptor
50003452	1	ChEMBL_104764 (CHEMBL714909)	Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand
50003453	1	ChEMBL_156899 (CHEMBL767089)	Inhibition of guinea pig ventricular Phosphodiesterase 4
50003453	2	ChEMBL_192990 (CHEMBL803572)	Displacement of [3H]rolipram from rat brain membranes
50003453	3	ChEMBL_156477 (CHEMBL761554)	Inhibition of guinea pig ventricular Phosphodiesterase 3
50003454	1	ChEMBL_122796 (CHEMBL732564)	Tested for inhibition- binding affinity against monoamine oxidase A catalyzed oxidation.
50003454	2	ChEMBL_123742 (CHEMBL728528)	Tested for inhibition- binding affinity against monoamine oxidase B catalyzed oxidation.
50003455	1	ChEMBL_104777 (CHEMBL714922)	Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand
50003455	2	ChEMBL_104778 (CHEMBL714923)	Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)
50003455	3	ChEMBL_104783 (CHEMBL714926)	Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand
50003455	4	ChEMBL_104779 (CHEMBL714924)	Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin
50003455	5	ChEMBL_104939 (CHEMBL714718)	Inhibitory concentration against melatonin receptor by nonlinear fiting strategies
50003456	1	ChEMBL_104782 (CHEMBL714925)	Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand
50003456	2	ChEMBL_104774 (CHEMBL714919)	Agonist activity against melatonin receptor in the presence of iodomelatonin
50003456	3	ChEMBL_104776 (CHEMBL714921)	Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand
50003456	4	ChEMBL_104775 (CHEMBL714920)	Agonist activity against melatonin receptor in the presence of iodomelatonin
50003456	5	ChEMBL_104772 (CHEMBL714917)	Agonist activity against melatonin receptor was tested in the absence of iodomelatonin
50003456	6	ChEMBL_104773 (CHEMBL714918)	Agonist activity against melatonin receptor was tested in the absence of iodomelatonin
50003457	1	ChEMBL_164985 (CHEMBL774080)	Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into acidified rabbit erythrocytes.
50003458	1	ChEMBL_66073 (CHEMBL683103)	Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMF
50003458	2	ChEMBL_207428 (CHEMBL872717)	Apparent binding affinity against estradiol-stimulated T-47D cell proliferation
50003458	3	ChEMBL_66069 (CHEMBL683099)	Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMF
50003458	4	ChEMBL_66070 (CHEMBL683100)	Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMF
50003458	5	ChEMBL_66071 (CHEMBL683101)	Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol)
50003458	6	ChEMBL_66074 (CHEMBL683104)	Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol
50003458	7	ChEMBL_207426 (CHEMBL813050)	Inhibition of estradiol-stimulated T-47D cell proliferation.
50003458	8	ChEMBL_217747 (CHEMBL823810)	Inhibition of estradiol-stimulated ZR-75-1-cell proliferation
50003458	9	ChEMBL_217754 (CHEMBL881549)	Apparent binding affinity against estradiol-stimulated ZR-75-1-cell proliferation
50003458	10	ChEMBL_66076 (CHEMBL683106)	Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol
50003458	11	ChEMBL_66072 (CHEMBL683102)	Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMF
50003458	12	ChEMBL_88151 (CHEMBL693236)	Stimulation of alkaline phosphatase activity in human endometrial Ishikawa cells with 1 nM E2 estradiol
50003458	13	ChEMBL_66075 (CHEMBL683105)	Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol
50003458	14	ChEMBL_88150 (CHEMBL693235)	Stimulation of alkaline phosphatase activity in human endometrial Ishikawa cells with 1 nM E2 estradiol
50003458	15	ChEMBL_217753 (CHEMBL824422)	Inhibition of estradiol-stimulated ZR-75-1-cell proliferation
50003459	1	ChEMBL_103160 (CHEMBL707870)	Compound concentration required to induce transcriptional activation in MVLN cells equal to 50% of 0.1 nM estradiol response
50003459	2	ChEMBL_103159 (CHEMBL711304)	Compound concentration required to induce transcriptional activation in MVLN cells comparable to 50% of 0.1 nM estradiol response
50003460	1	ChEMBL_211353 (CHEMBL815869)	The compound was evaluated for inhibition of tubulin polymerization, which is purified from bovine brain
50003460	2	ChEMBL_211354 (CHEMBL815870)	Evaluated for inhibition of tubulin polymerization.
50003461	1	ChEMBL_60938 (CHEMBL673063)	Affinity pKi for Dopamine receptor D2 was measured in rat cortex homogenates
50003461	2	ChEMBL_33132 (CHEMBL642087)	Affinity pKi for Alpha-1 adrenergic receptor was measured in rat cortex homogenates
50003461	3	ChEMBL_58815 (CHEMBL668239)	Affinity pKi for Dopamine receptor D1 was measured in rat cortex homogenates.
50003461	4	ChEMBL_1646 (CHEMBL616738)	Affinity pKi for 5-hydroxytryptamine 1D receptor was measured in calf caudate homogenate
50003461	5	ChEMBL_2851 (CHEMBL617492)	Affinity pKi for 5-hydroxytryptamine 2C receptor was measured in rat cortex homogenates.
50003461	6	ChEMBL_2419 (CHEMBL617696)	Affinity pKi for 5-hydroxytryptamine 2A receptor was measured in rat cortex homogenates
50003461	7	ChEMBL_32630 (CHEMBL640226)	Affinity pKi for Alpha-2 adrenergic receptor was measured in rat cortex homogenates.
50003461	8	ChEMBL_1504 (CHEMBL616336)	Affinity pKi for 5-hydroxytryptamine 1A receptor was measured in rat cortex homogenates.
50003461	9	ChEMBL_39015 (CHEMBL856956)	Affinity pKi for Beta adrenergic receptor was measured in rat cortex homogenates
50003462	1	ChEMBL_197405 (CHEMBL799795)	Inhibition of [3H]ATRA binding to baculovirus expressed RAR alpha receptor
50003462	2	ChEMBL_195490 (CHEMBL798912)	Inhibition of [3H]-ATRA binding to baculovirus expressed RAR beta receptor
50003462	3	ChEMBL_196004 (CHEMBL797868)	Inhibition of [3H]ATRA binding to baculovirus expressed RAR gamma receptor
50003463	1	ChEMBL_88811 (CHEMBL696847)	Inhibition concentration against isoleucyl tRNA synthetase from Staphylococcus aureus NCTC 6571
50003463	2	ChEMBL_88810 (CHEMBL696846)	Inhibition concentration against Isoleucyl-tRNA synthetase from Staphylococcus aureus NCTC 6571
50003464	1	ChEMBL_141179 (CHEMBL750676)	Inhibition activity against N-myristoyltransferase (NMT) of candida albicans.
50003464	2	ChEMBL_141310 (CHEMBL744118)	Inhibition activity against N-myristoyltransferase (NMT) of human.
50003465	1	ChEMBL_2517 (CHEMBL617404)	Binding affinity against human 5-hydroxytryptamine 2A receptor using displacement of [3H]5-HT
50003465	2	ChEMBL_2746 (CHEMBL617508)	Binding affinity against human 5-hydroxytryptamine 2C receptor using displacement of [3H]DOB
50003465	3	ChEMBL_194627 (CHEMBL798103)	Efficacy (pEC50) was evaluated for 5-HT2C receptor-mediated stimulation of IP3 formation in vitro in choroid plexus of the rat
50003466	1	ChEMBL_162376 (CHEMBL767464)	Inhibition of protein kinase C
50003467	1	ChEMBL_34206 (CHEMBL649223)	Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat brain membranes
50003467	2	ChEMBL_34423 (CHEMBL649427)	Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat brain membranes
50003468	1	ChEMBL_211334 (CHEMBL820777)	Inhibition of tubulin polymerization
50003469	1	ChEMBL_101082 (CHEMBL708494)	Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-estradiol (in vitro)
50003470	1	ChEMBL_157397 (CHEMBL763662)	Inhibitory activity against Phosphodiesterase 4 from heart.
50003470	2	ChEMBL_156168 (CHEMBL760937)	Inhibitory activity against PDE1 from cerebral cortex
50003470	3	ChEMBL_156636 (CHEMBL761134)	Inhibitory activity against Phosphodiesterase 3 from heart.
50003471	1	ChEMBL_75876 (CHEMBL686743)	Inhibition of supercoiling activity of DNA gyrase in Escherichia coli
50003472	1	ChEMBL_211328 (CHEMBL818987)	Inhibition of tubulin polymerization using isolated calf brain
50003472	2	ChEMBL_211330 (CHEMBL818989)	Inhibition of tubulin polymerization using isolated calf brain at 37 degrees C
50003472	3	ChEMBL_211329 (CHEMBL818988)	Inhibition of tubulin polymerization using isolated calf brain at 26 degrees C
50003473	1	ChEMBL_46286 (CHEMBL657994)	Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioligand in rat brain membrane
50003473	2	ChEMBL_46285 (CHEMBL657057)	Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand in rat brain membrane
50003474	1	ChEMBL_65879 (CHEMBL681171)	Affinity for estrogen receptor of human MCF-7 cells
50003474	2	ChEMBL_65880 (CHEMBL681172)	Affinity for estrogen receptor of human MCF-7 cells at 10e-5 M
50003474	3	ChEMBL_100745 (CHEMBL710041)	Induction of pS2 Gene expression in human MCF-7 cells
50003475	1	ChEMBL_138387 (CHEMBL749221)	Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.
50003475	2	ChEMBL_138388 (CHEMBL749222)	Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guinea Pig.
50003475	3	ChEMBL_138389 (CHEMBL749223)	Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement.
50003475	4	ChEMBL_138386 (CHEMBL749220)	Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea Pig.
50003475	5	ChEMBL_138636 (CHEMBL749267)	Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig.
50003476	1	ChEMBL_139460 (CHEMBL752168)	Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex
50003476	2	ChEMBL_139458 (CHEMBL752166)	Binding affinity against Muscarinic acetylcholine receptor using [3H]oxotremorine-M as radioligand in rat cortex
50003477	1	ChEMBL_3393 (CHEMBL619423)	In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on rat entorhinal cortex
50003477	2	ChEMBL_60944 (CHEMBL673069)	In vitro by displacement of [3H]raclopride from Dopamine receptor D2 on rat striatal membrane
50003477	3	ChEMBL_1516 (CHEMBL616348)	In vitro by displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor on rat cortical membrane
50003477	4	ChEMBL_3295 (CHEMBL619095)	In vitro by displacement of [3H]GR-113808 from 5-hydroxytryptamine 4 receptor on guinea pig striatal membrane
50003477	5	ChEMBL_2423 (CHEMBL617259)	Binding affinity was evaluated in vitro by displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor on rat cortical membrane
50003478	1	ChEMBL_143535 (CHEMBL755450)	Inhibition of [3H]BTX-B binding to Neuronal voltage-dependent sodium channel of rat cerebral cortex synaptoneurosomes
50003479	1	ChEMBL_141012 (CHEMBL747502)	Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared from adult rat cerebral cortex.
50003480	1	ChEMBL_34975 (CHEMBL884036)	Inhibitory concentration against specific binding of [125 I]Ang II to rat pituitary membranes (Angiotensin II receptor, type 1) in presence of 0.2% bovine serum albumin
50003480	2	ChEMBL_34974 (CHEMBL649503)	Inhibitory concentration against [125 I]Ang II binding to rat pituitary membranes Angiotensin II receptor type 1 without 0.2% bovine serum albumin
50003480	3	ChEMBL_35101 (CHEMBL649304)	Inhibitory concentration against specific binding of [125 I]Ang II to rat uterine membranes (Angiotensin II receptor, type 1)
50003480	4	ChEMBL_34976 (CHEMBL649504)	Inhibitory concentration against specific binding of [125 I]Ang II to rat uterine membranes (Angiotensin II receptor, type 1)
50003481	1	ChEMBL_52207 (CHEMBL664841)	Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes
50003482	1	ChEMBL_103299 (CHEMBL712253)	Anti-estrogenicity for 50% inhibition of the MVLN cell luciferase activity due to 0.1 nM E2 (estradiol)
50003483	1	ChEMBL_2883 (CHEMBL857984)	Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT as radioligand
50003483	2	ChEMBL_2755 (CHEMBL617752)	Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine as radioligand
50003483	3	ChEMBL_2526 (CHEMBL616876)	Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin as radioligand
50003484	1	ChEMBL_162539 (CHEMBL767443)	Inhibition of Protein kinase C
50003485	1	ChEMBL_211479 (CHEMBL819682)	The compound was tested for the concentration to inhibit 50% of tubulin polymerization.
50003486	1	ChEMBL_208621 (CHEMBL817420)	In vitro activity against mammalian topoisomerase II measured as ATP-dependent unknotting of P4 DNA compared to enzyme and DNA control
50003487	1	ChEMBL_3387 (CHEMBL619417)	Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist
50003488	1	ChEMBL_157055 (CHEMBL769678)	Inhibitory activity on human eosinophil phosphodiesterase 4.
50003489	1	ChEMBL_92932 (CHEMBL700946)	Binding affinity at the L-type [Ca2+] channel from rat brain homogenate by [3H]nitrendipine displacement.
50003489	2	ChEMBL_33206 (CHEMBL643231)	Binding affinity determined by displacement of [3H]rauwolscine from alpha-2A adrenergic receptor
50003489	3	ChEMBL_33886 (CHEMBL643758)	Binding affinity determined by displacement of [3H]prazosin from alpha-1A adrenergic receptor
50003489	4	ChEMBL_34615 (CHEMBL645573)	Binding affinity determined by displacement of [3H]prazosin from alpha-1B adrenergic receptor
50003489	5	ChEMBL_33371 (CHEMBL645109)	Binding affinity determined by displacement of [3H]rauwolscine from alpha-2B adrenergic receptor
50003489	6	ChEMBL_32601 (CHEMBL642128)	Binding affinity determined by displacement of [3H]prazosin from alpha-1D adrenergic receptor
50003489	7	ChEMBL_33667 (CHEMBL649248)	Binding affinity assayed by displacement of [3H]rauwolscine from human alpha-2C adrenergic receptor
50003490	1	ChEMBL_66548 (CHEMBL677815)	Inhibition of estradiol binding to estrogen receptor
50003491	1	ChEMBL_37761 (CHEMBL650776)	Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacillus subtilis.
50003492	1	ChEMBL_211355 (CHEMBL815871)	Inhibitory activity against tubulin polymerization
50003492	2	ChEMBL_211356 (CHEMBL815872)	The compound was evaluated for the anti-tubulin activity.
50003493	1	ChEMBL_139097 (CHEMBL744273)	Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex
50003493	2	ChEMBL_138173 (CHEMBL748235)	Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart
50003493	3	ChEMBL_138976 (CHEMBL742786)	Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary gland
50003493	4	ChEMBL_140158 (CHEMBL745464)	The compound was evaluated for its ability to inhibit [3H]NMS binding to Muscarinic acetylcholine receptor in submandibular salivary gland
50003493	5	ChEMBL_140157 (CHEMBL745463)	The compound was evaluated for its ability to inhibit [3H]NMS binding to Muscarinic acetylcholine receptor in heart
50003494	1	ChEMBL_208604 (CHEMBL812057)	In vitro evaluation for inhibitor of human topoisomerase II from HeLa cells.
50003494	2	ChEMBL_54210 (CHEMBL668089)	In vitro inhibitior of human DNA topoisomerase II from HeLa cells.
50003495	1	ChEMBL_202731 (CHEMBL809059)	Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake inhibition assay in acidified rabbit erythrocytes
50003498	1	ChEMBL_104784 (CHEMBL714927)	Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand
50003498	2	ChEMBL_104780 (CHEMBL874168)	inhibitory concentration against Melatonin receptor
50003499	1	ChEMBL_156471 (CHEMBL761548)	Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from guinea pig ventricular tissue
50003499	2	ChEMBL_157211 (CHEMBL768862)	Affinity for the high affinity rolipram binding site of phosphodiesterase (PDE IV) by [3H]rolipram displacement.
50003499	3	ChEMBL_156887 (CHEMBL767077)	Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventricular tissue
50003499	4	ChEMBL_70881 (CHEMBL684539)	Increased cAMP accumulation in isoprenaline-induced guinea pig eosinophils
50003500	1	ChEMBL_139457 (CHEMBL752165)	Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.
50003501	1	ChEMBL_156897 (CHEMBL767087)	Concentration to inhibit 50% of Phosphodiesterase 4 (PDE-4) from guinea pig macrophages
50003501	2	ChEMBL_156911 (CHEMBL763945)	Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.
50003502	1	ChEMBL_34951 (CHEMBL647794)	Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes.
50003503	1	ChEMBL_53633 (CHEMBL666662)	Inhibition of chicken liver Dihydrofolate reductase (dihydrofolate reductase)
50003503	2	ChEMBL_55074 (CHEMBL858762)	Inhibition of Dihydrofolate reductase from Lactobacillus casei
50003504	1	ChEMBL_208610 (CHEMBL812287)	Inhibition of topoisomerase II as conversion of catenated to decatenated KDNA
50003505	1	ChEMBL_54200 (CHEMBL664230)	Concentration of compound at which inhibitory activity detected against DNA topoisomerase II
50003505	2	ChEMBL_54202 (CHEMBL668898)	In vitro inhibitory activity against DNA topoisomerase II
50003506	1	ChEMBL_46820 (CHEMBL657224)	Cannabinoid receptor 1 binding affinity by measuring its ability to displace [3H]WIN-55212-2 in rat forebrain membranes
50003506	2	ChEMBL_46819 (CHEMBL657062)	Displacement of [3H]CP-55940 from Cannabinoid receptor 1 of rat forebrain membranes
50003507	1	ChEMBL_155725 (CHEMBL760759)	Inhibition of cAMP hydrolysis by inhibiting phosphodiesterases (PDE4), isolated from tumor tissue of human large cell lung tumor xenograft LXFL-529, grown in nude mice.
50003508	1	ChEMBL_211327 (CHEMBL818986)	Inhibition of Tubulin polymerization by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM
50003509	1	ChEMBL_154524 (CHEMBL762151)	Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma
50003509	2	ChEMBL_153698 (CHEMBL756487)	Tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alpha
50003509	3	ChEMBL_153697 (CHEMBL756486)	In vitro transactivation of Peroxisome proliferator activated receptor alpha.
50003509	4	ChEMBL_154375 (CHEMBL758984)	Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferator activated receptor gamma
50003509	5	ChEMBL_153696 (CHEMBL756485)	In vitro transactivation of Peroxisome proliferator activated receptor alpha.
50003509	6	ChEMBL_154380 (CHEMBL759143)	Tested functionally in vitro for inducing 50% of the maximum alkaline phosphate activity (Transactivation) against Peroxisome proliferator activated receptor gamma
50003509	7	ChEMBL_154526 (CHEMBL760247)	Compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor gamma; IA = Inactive
50003509	8	ChEMBL_153699 (CHEMBL756488)	Compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alpha
50003509	9	ChEMBL_154381 (CHEMBL859332)	Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphate activity (Transactivation) against Peroxisome proliferator activated receptor gamma
50003510	1	ChEMBL_154373 (CHEMBL758982)	-log concentration required to induce 50% maximum lipogenic activity against Peroxisome proliferator activated receptor gamma
50003510	2	ChEMBL_154377 (CHEMBL758986)	in vitro agonist activity against peroxisome proliferator activated receptor-gamma (PPAR-gamma), using alkaline phosphatase activity transactivator assay
50003510	3	ChEMBL_154521 (CHEMBL762148)	The compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against Peroxisome proliferator activated receptor gamma
50003510	4	ChEMBL_154520 (CHEMBL762147)	The compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against Peroxisome proliferator activated receptor gamma
50003510	5	ChEMBL_154525 (CHEMBL762152)	Binding affinity against peroxisome proliferator activated receptor gamma (PPAR-gamma)
50003510	6	ChEMBL_154531 (CHEMBL760252)	The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor gamma
50003511	1	ChEMBL_1520 (CHEMBL616154)	Binding affinity for rat cortex 5-hydroxytryptamine 1A receptor, by displacement of 0.2 nM [3H]8-OH-DPAT radioligand
50003512	1	ChEMBL_35507 (CHEMBL646417)	Inhibitory activity against aminopeptidase N assayed by the L-Ala-MCA method.
50003512	2	ChEMBL_53358 (CHEMBL664528)	Inhibitory activity against dipeptidyl peptidase IV (DPP- IV)
50003513	1	ChEMBL_104616 (CHEMBL715564)	Binding affinity towards melatonin receptor, determined in chicken brain membranes using [2-125I]melatonin
50003514	1	ChEMBL_155726 (CHEMBL760760)	Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol
50003514	2	ChEMBL_155724 (CHEMBL760758)	Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)
50003515	1	ChEMBL_211358 (CHEMBL815874)	Inhibition of bovine brain tubulin polymerization (ITP).
50003516	1	ChEMBL_211324 (CHEMBL818983)	In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation
50003517	1	ChEMBL_90088 (CHEMBL701349)	The compound was tested for inhibitory activity against Inositol 1,4,5-trisphosphate receptor in L15 cell line
50003517	2	ChEMBL_90086 (CHEMBL701347)	The compound was tested for inhibitory activity against Inositol 1,4,5-trisphosphate receptor in SH-SY5Y cell line
50003517	3	ChEMBL_90085 (CHEMBL873218)	The compound was tested for inhibitory activity against IInositol 1,4,5-trisphosphate receptor in SH-SY5Y cell line
50003518	1	ChEMBL_61074 (CHEMBL674914)	Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain
50003518	2	ChEMBL_80694 (CHEMBL690789)	Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain
50003518	3	ChEMBL_61076 (CHEMBL674916)	Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain
50003518	4	ChEMBL_80692 (CHEMBL690787)	Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain
50003518	5	ChEMBL_80698 (CHEMBL880032)	Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK-) 07/1 strain
50003518	6	ChEMBL_80696 (CHEMBL690791)	Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain
50003519	1	ChEMBL_49550 (CHEMBL664275)	Ability to stimulate intracellular calcium response was determined using CCK receptor-bearing chinese hamster ovary cell line
50003520	1	ChEMBL_217461 (CHEMBL823510)	Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.
50003520	2	ChEMBL_217463 (CHEMBL821650)	Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was determined; experiment 2
50003520	3	ChEMBL_217462 (CHEMBL823511)	Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was determined; experiment 1
50003521	1	ChEMBL_39067 (CHEMBL651138)	Binding Affinity against human Beta-3 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand
50003521	2	ChEMBL_38476 (CHEMBL875069)	Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand
50003521	3	ChEMBL_37521 (CHEMBL647364)	Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand
50003521	4	ChEMBL_38475 (CHEMBL650853)	Binding Affinity against human Beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand
50003522	1	ChEMBL_1506 (CHEMBL616338)	Binding affinity against 5-hydroxytryptamine 1A receptor in rat cortex homogenates.
50003522	2	ChEMBL_2852 (CHEMBL617493)	Binding affinity against 5-hydroxytryptamine 2C receptor in rat cortex homogenates.
50003522	3	ChEMBL_1630 (CHEMBL616516)	Binding affinity against 5-hydroxytryptamine 1D receptor in calf caudate homogenates.
50003523	1	ChEMBL_215123 (CHEMBL820389)	Displacement of [3H]BTX from voltage-gated sodium channel of rat cortical synaptosomes
50003524	1	ChEMBL_220580 (CHEMBL841023)	Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell membranes
50003524	2	ChEMBL_220606 (CHEMBL842310)	Predicted affinity for imidazoline receptor I2 by three field CoMFA model
50003524	3	ChEMBL_220597 (CHEMBL842750)	Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes
50003524	4	ChEMBL_32760 (CHEMBL641157)	Displacement of [3H]-clonidine from Alpha-2 adrenergic receptor of rat cortex membranes
50003524	5	ChEMBL_220579 (CHEMBL858012)	Predicted affinity for imidazoline receptor I2 by three field CoMFA model
50003524	6	ChEMBL_220581 (CHEMBL841024)	Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell membranes
50003524	7	ChEMBL_220596 (CHEMBL842749)	Predicted affinity for imidazoline receptor I2 by three field CoMFA model
50003525	1	ChEMBL_160093 (CHEMBL767695)	In vivo inhibion of pyruvate dehydrogenase kinase, increased oxidation of lactate
50003525	2	ChEMBL_160095 (CHEMBL767697)	In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay
50003525	3	ChEMBL_160094 (CHEMBL767696)	Inhibitory activity against Pyruvate dehydrogenase kinase
50003526	1	ChEMBL_2931 (CHEMBL617646)	In vitro ability to displace [3H]mesulergine binding from 5-hydroxytryptamine 2C receptor from bovine choroid plexus.
50003526	2	ChEMBL_58305 (CHEMBL672699)	In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.
50003526	3	ChEMBL_2438 (CHEMBL617327)	In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.
50003526	4	ChEMBL_2937 (CHEMBL617878)	In vitro ability to displace [3H]mesulergine binding from 5-hydroxytryptamine 2C receptor from bovine choroid plexus.
50003526	5	ChEMBL_60969 (CHEMBL671741)	In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.
50003526	6	ChEMBL_58825 (CHEMBL671910)	In vitro ability to displace [3H]SCH-23390 binding from Dopamine receptor D1 in rat striatal membrane.
50003526	7	ChEMBL_2426 (CHEMBL617262)	Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]-ketanserin as radioligand
50003527	1	ChEMBL_33890 (CHEMBL645468)	The binding affinity was evaluated on cloned human alpha-1A adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]prazosin as radioligand.
50003527	2	ChEMBL_34621 (CHEMBL643902)	The binding affinity was evaluated on cloned human Alpha-1B adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]prazosin as radioligand.
50003527	3	ChEMBL_34622 (CHEMBL643903)	The binding affinity was evaluated on cloned human alpha-1B adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]prazosin as radioligand.
50003527	4	ChEMBL_32762 (CHEMBL641158)	The binding affinity was evaluated on alpha-2 adrenergic receptor expressed in rat cortex by using [3H]rauwolscine as radioligand.
50003527	5	ChEMBL_32712 (CHEMBL644030)	The binding affinity was evaluated on cloned human alpha-1D adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]prazosin as radioligand.
50003527	6	ChEMBL_33889 (CHEMBL645467)	The binding affinity was evaluated on cloned human Alpha-1A adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]prazosin as radioligand.
50003527	7	ChEMBL_1040 (CHEMBL616241)	The binding affinity was evaluated on cloned human 5-hydroxytryptamine 1A receptor expressed in HeLa cells by using DPAT as radioligand.
50003527	8	ChEMBL_60968 (CHEMBL858394)	The binding affinity was evaluated on Dopamine receptor D2 expressed in rat striatum by using [3H]spiperone as radioligand
50003527	9	ChEMBL_2437 (CHEMBL617326)	The binding affinity was evaluated on 5-hydroxytryptamine 2A receptor expressed in rat cortex by using [3H]ketanserin as radioligand.
50003527	10	ChEMBL_32604 (CHEMBL642131)	The binding affinity was evaluated on cloned human Alpha-1D adrenergic receptor expressed in chinese hamster ovary(CHO) cells by using [3H]-prazosin as radioligand.
50003527	11	ChEMBL_32761 (CHEMBL857993)	The binding affinity was evaluated on Alpha-2 adrenergic receptor expressed in rat cortex by using [3H]rauwolscine as radioligand.
50003528	1	ChEMBL_87398 (CHEMBL694956)	Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells.
50003529	1	ChEMBL_211318 (CHEMBL818978)	Concentration inhibiting tubulin polymerization (ITP)
50003529	2	ChEMBL_211319 (CHEMBL878747)	Inhibition of tubulin polymerization (ITP)
50003530	1	ChEMBL_33023 (CHEMBL643948)	Ability to displace [3H]prazosin from human cloned Alpha-1D adrenergic receptor
50003530	2	ChEMBL_60937 (CHEMBL673062)	Displacement of [3H]spiperone from rat brain Dopamine receptor D2
50003530	3	ChEMBL_2184 (CHEMBL857978)	Displacement of [3H]ketanserin from rat brain 5-hydroxytryptamine 2 receptor
50003530	4	ChEMBL_32588 (CHEMBL643425)	Displacement of [3H]prazosin from human cloned Alpha-1D adrenergic receptor
50003530	5	ChEMBL_1018 (CHEMBL833493)	Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxytryptamine 1A receptor
50003530	6	ChEMBL_33014 (CHEMBL643870)	Ability to displace [3H]prazosin from human cloned Alpha-1B adrenergic receptor
50003530	7	ChEMBL_32628 (CHEMBL885385)	Displacement of [3H]rauwolscine from rat brain Alpha-2 adrenergic receptor
50003530	8	ChEMBL_33874 (CHEMBL643746)	Displacement of [3H]prazosin from human cloned Alpha-1A adrenergic receptor
50003530	9	ChEMBL_34485 (CHEMBL651052)	Displacement of [3H]prazosin from human cloned Alpha-1B adrenergic receptor
50003530	10	ChEMBL_2185 (CHEMBL617011)	Displacement of [3H]ketanserin from rat brain 5-hydroxytryptamine 2 receptor
50003531	1	ChEMBL_35113 (CHEMBL649315)	In vitro binding affinity against Angiotensin II receptor, type 1 from rat liver membranes
50003531	2	ChEMBL_34954 (CHEMBL647797)	In vitro inhibitory activity against rat Angiotensin II receptor, type 1 expressed in CHO cells
50003532	1	ChEMBL_138903 (CHEMBL744135)	In vitro displacement of [3H]oxotremorine-M from muscarinic acetylcholine receptor in rat brain cortex
50003533	1	ChEMBL_32768 (CHEMBL643713)	In vitro binding affinity against alpha-2 adrenergic receptor in rat
50003534	1	ChEMBL_92785 (CHEMBL704172)	Competitive binding of 3[H]+isradipine to calcium channels of rat cardiac membranes
50003535	1	ChEMBL_99657 (CHEMBL704423)	Inhibition of binding of [3H]LTB4 (1 nM) to intact human polymorphonuclear leukocytes (PMNs)
50003537	1	ChEMBL_209062 (CHEMBL815654)	Binding affinity towards thrombin
50003537	2	ChEMBL_213236 (CHEMBL821446)	Binding affinity towards trypsin
50003537	3	ChEMBL_49333 (CHEMBL857787)	Binding affinity towards Coagulation factor Xa
50003538	1	ChEMBL_2189 (CHEMBL617015)	Compound was evaluated for its ability to displace [3H]ketanserin binding from cloned rat cerebral cortex membranes 5-hydroxytryptamine 2 receptor
50003538	2	ChEMBL_3725 (CHEMBL619897)	Compound was evaluated for its ability to displace [3H]5-CT binding from cloned human 5-hydroxytryptamine 7 receptor expressed in COS-7 cells.
50003538	3	ChEMBL_60946 (CHEMBL673071)	Compound was evaluated for its ability to displace [3H]spiperone binding from Dopamine receptor D2 in rat striatum.
50003538	4	ChEMBL_3646 (CHEMBL620783)	Compound was evaluated for its ability to displace [3H]LSD binding from human recombinant 5-hydroxytryptamine 6 receptor
50003538	5	ChEMBL_1033 (CHEMBL616234)	Compound was evaluated for its ability to displace [3H]8-OH-DPAT binding from human 5-hydroxytryptamine 1A receptor in mammalian cells
50003538	6	ChEMBL_3297 (CHEMBL619096)	Compound was evaluated for its ability to displace [3H]GR-113808 binding from 5-hydroxytryptamine 4 receptor in guinea pig striatum.
50003539	1	ChEMBL_162535 (CHEMBL767439)	Inhibition of protein kinase C (PKC)
50003539	2	ChEMBL_162536 (CHEMBL767440)	Inhibition of protein kinase C (PKC)
50003540	1	ChEMBL_34952 (CHEMBL647795)	Compound was evaluated in a binding assay using Chinese hamster ovary (CHO) cells stably expressing the rat Angiotensin II receptor, type 1
50003540	2	ChEMBL_34953 (CHEMBL647796)	Compound was evaluated in a radioligand binding assay to displace [125I]-Ang II from Angiotensin II receptor, type 1 in rat liver membranes
50003541	1	ChEMBL_31033 (CHEMBL857996)	Adenosine A2 receptor binding using [3H]CGS-21680 in rat striatal membranes
50003541	2	ChEMBL_28233 (CHEMBL638757)	Adenosine A1 receptor binding using [3H]DPCPX in human cortical membranes
50003541	3	ChEMBL_31034 (CHEMBL638322)	Adenosine A2 receptor binding using [3H]CGS-21680 in rat striatal membranes
50003541	4	ChEMBL_27468 (CHEMBL642478)	Adenosine A1 receptor binding using [3H]DPCPX in rat cortical membranes
50003541	5	ChEMBL_31143 (CHEMBL644808)	Adenosine A1 receptor using [3H]DPCOX in rat cortical membranes
50003541	6	ChEMBL_27467 (CHEMBL642477)	Adenosine A1 receptor binding using [3H]DPCOX in rat cortical membranes
50003542	1	ChEMBL_69450 (CHEMBL682779)	Dissociation constant for binding to SH2 domain of Fyn protein kinase
50003542	2	ChEMBL_221648 (CHEMBL823225)	Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase
50003542	3	ChEMBL_72486 (CHEMBL685519)	Dissociation constant for binding to SH2 domain of Growth factor receptor bound protein 2, Grb2
50003543	1	ChEMBL_104614 (CHEMBL713592)	Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin
50003543	2	ChEMBL_104615 (CHEMBL715563)	Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptors
50003543	3	ChEMBL_104613 (CHEMBL884504)	The functional activity on melatonin receptor was evaluated by its potency to lighten the skin of Xenopus laevis tadpoles
50003544	1	ChEMBL_87060 (CHEMBL698090)	In vitro binding affinity was measured against Histamine H3 receptor on rat cerebral cortex.
50003545	1	ChEMBL_87062 (CHEMBL698092)	Affinity for histamine H3 receptor in rat cerebral cortex.
50003545	2	ChEMBL_86930 (CHEMBL697539)	Binding affinity of compound against Histamine H3 receptor
50003545	3	ChEMBL_87061 (CHEMBL698091)	PKi was measured by Histamine H3 receptor binding assay (N-alpha-MeHA) on rat cerebral cortex.
50003545	4	ChEMBL_87065 (CHEMBL698254)	Binding affinity of compound against Histamine H3 receptor
50003545	5	ChEMBL_86918 (CHEMBL696919)	Binding affinity of compound against Histamine H3 receptor
50003547	1	ChEMBL_215124 (CHEMBL820390)	In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synaptoneurosomes
50003548	1	ChEMBL_1008 (CHEMBL616051)	In vitro effective concentration required to inhibit forskolin-stimulated cAMP levels in HA7 cells expressing human 5-HT1A receptor
50003548	2	ChEMBL_1514 (CHEMBL616346)	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]8-OH-DPAT as a radioligand
50003548	3	ChEMBL_33141 (CHEMBL642096)	Binding affinity towards Alpha-1 adrenergic receptor using prazosin as a radioligand in rat cortex
50003548	4	ChEMBL_60943 (CHEMBL673068)	Binding affinity towards Dopamine receptor D2 in rat striatum using YM-09151-2 as a radioligand
50003549	1	ChEMBL_225530 (CHEMBL848481)	In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synovial cells.
50003550	1	ChEMBL_160234 (CHEMBL769458)	Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic assay
50003551	1	ChEMBL_46468 (CHEMBL858761)	Binding affinity towards cloned human Cannabinoid receptor 1
50003551	2	ChEMBL_46995 (CHEMBL658964)	Binding affinity towards cloned human cannabinoid receptor 2
50003552	1	ChEMBL_32403 (CHEMBL648039)	Evaluated for binding affinity against alpha-1 adrenergic receptor
50003553	1	ChEMBL_144659 (CHEMBL858427)	Affinity to nociceptin receptors on mouse forebrain membranes by [3H]NC-NH2 displacement.
50003553	2	ChEMBL_148274 (CHEMBL857859)	Binding affinity towards Orphanin FQ receptor on mouse forebrain membranes was determined using [3H]-NC-NH2 as radioligand
50003554	1	ChEMBL_162071 (CHEMBL766867)	Inhibition of Akt (proto-oncogenic serine/threonine PKB) kinase
50003555	1	ChEBML_2434	Kinetic inhibition constant evaluated by measuring serotonergic activity
50003555	2	ChEBML_48204	Binding affinity to the corticosteroid-binding globulin (CBG) receptor.
50003555	3	ChEMBL_2435 (CHEMBL617324)	Serotonergic activity of the compound.
50003556	1	ChEMBL_48429 (CHEMBL660357)	Displacement of binding of [125I]CCK-8S to Cholecystokinin type B receptor in mouse cerebral cortex homogenates
50003557	1	ChEMBL_144172 (CHEMBL749553)	Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [125I]-alpha-BGT as a radioligand relative to alpha4-beta2
50003557	2	ChEMBL_144196 (CHEMBL750738)	Inhibition of [3H]MLA binding in presence of mecamylamine
50003557	3	ChEMBL_144195 (CHEMBL750737)	Inhibition of [3H]MLA binding in presence of alpha-bungarotoxin
50003557	4	ChEMBL_144173 (CHEMBL749554)	Binding affinity against alpha7 nAChR (nicotinic acetylcholine receptor) using [3H]-MLA as a radioligand relative to alpha4-beta2
50003557	5	ChEMBL_144174 (CHEMBL749555)	Binding affinity against alpha-7 nAChR (nicotinic acetylcholine receptor) using [3H]epibatidine as a radioligand relative to alpha4-beta2
50003557	6	ChEMBL_144189 (CHEMBL750731)	Inhibition of [125I]iodo-MLA binding in presence of 3-cinnamylidene-anabasine
50003557	7	ChEMBL_144191 (CHEMBL750733)	Inhibition of [125I]iodo-MLA binding in presence of dihydro-beta-erythroidine
50003557	8	ChEMBL_144188 (CHEMBL750730)	Inhibition of [125I]iodo-MLA binding in presence of (-)-nicotine
50003557	9	ChEMBL_144192 (CHEMBL750734)	Inhibition of [125I]iodo-MLA binding in presence of mecamylamine
50003557	10	ChEMBL_144190 (CHEMBL750732)	Inhibition of [125I]iodo-MLA binding in presence of alpha-bungarotoxin
50003557	11	ChEMBL_144197 (CHEMBL873909)	Inhibition of [3H]MLA binding in presence of methylcaconitine.
50003557	12	ChEMBL_144193 (CHEMBL750735)	Inhibition of [125I]iodo-MLA binding in presence of methylcaconitine.
50003557	13	ChEMBL_144194 (CHEMBL750736)	Inhibition of [3H]MLA binding in presence of (-)-nicotine
50003558	1	ChEMBL_152460 (CHEMBL761449)	Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.
50003559	1	ChEMBL_47661 (CHEMBL657373)	In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A receptor of rat pancreatic membranes
50003559	2	ChEMBL_48108 (CHEMBL663095)	In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B receptor of guinea pig cerebral cortex membranes
50003559	3	ChEMBL_48758 (CHEMBL666784)	Inhibition by displacing [3H]CCK-8S against Cholecystokinin type B receptor of rat pancreatic membranes
50003559	4	ChEMBL_47662 (CHEMBL657374)	Inhibition by displacing [3H]CCK-8S against Cholecystokinin type A receptor of rat pancreatic membranes
50003559	5	ChEMBL_48109 (CHEMBL663096)	Inhibition by displacing [3H]CCK-8S against Cholecystokinin type B receptor of guinea pig
50003559	6	ChEMBL_48246 (CHEMBL661836)	Inhibition by displacing [3H]CCK-8S against human Cholecystokinin type B receptor
50003560	1	ChEMBL_202594 (CHEMBL806418)	Binding affinity against Src SH2 domain in competitive fluorescence polarization assay
50003561	1	ChEMBL_216604 (CHEMBL819176)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Wild-type tachykinin receptor 2
50003561	2	ChEMBL_138617 (CHEMBL746921)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Phe270Ala mutated human NK-2 receptor
50003561	3	ChEMBL_209209 (CHEMBL818003)	Binding affinity towards Tachykinin receptor 2
50003561	4	ChEMBL_138614 (CHEMBL746918)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr266Phe mutated human NK-2 receptor
50003561	5	ChEMBL_138611 (CHEMBL746915)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Phe270Ala mutated human NK-2 receptor
50003561	6	ChEMBL_138613 (CHEMBL746917)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Phe mutated human NK-2 receptor
50003561	7	ChEMBL_138620 (CHEMBL749107)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr266Phe mutated human NK-2 receptor
50003561	8	ChEMBL_216603 (CHEMBL819175)	Compound was evaluated for Kd value against [125I]NKA on the Wild-type tachykinin receptor 2
50003561	9	ChEMBL_138609 (CHEMBL746913)	Compound was evaluated for Kd value against [125I]-NKA on the Tyr206Phe mutated human NK-2 receptor
50003561	10	ChEMBL_138610 (CHEMBL746914)	Compound was evaluated for Kd value against [125I]NKA on the Tyr266Phe mutated human NK-2 receptor
50003561	11	ChEMBL_138612 (CHEMBL746916)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Ala mutated human NK-2 receptor
50003561	12	ChEMBL_138615 (CHEMBL746919)	Compound was evaluated for Kd value against [125I]NKA on the Tyr206Phe mutated human NK-2 receptor
50003561	13	ChEMBL_138616 (CHEMBL746920)	Compound was evaluated for Kd value against [125I]NKA on the Tyr266Phe mutated human NK-2 receptor
50003561	14	ChEMBL_138619 (CHEMBL749106)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Phe mutated human NK-2 receptor
50003561	15	ChEMBL_138618 (CHEMBL746922)	Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Ala mutated human NK-2 receptor
50003562	1	ChEMBL_152781 (CHEMBL765582)	evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)
50003563	1	ChEMBL_62785 (CHEMBL858763)	Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand
50003565	1	ChEMBL_211349 (CHEMBL815688)	Inhibition of bovine tubulin polymerization
50003565	2	ChEMBL_211350 (CHEMBL815689)	Tested for inhibition against tubulin polymerization
50003566	1	ChEMBL_223226 (CHEMBL843810)	Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (end value).
50003566	2	ChEMBL_223227 (CHEMBL843811)	Antagonist activity at human muscle-type nAChR (embryonic muscle) expressed in TE671 cells; (peak value).
50003567	1	ChEMBL_139581 (CHEMBL741872)	In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.
50003567	2	ChEMBL_139580 (CHEMBL741871)	Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand
50003568	1	ChEMBL_152936 (CHEMBL757136)	Inhibition of phosphodiesterase type 4 isozyme (PDE4) from the U937 human cell line.
50003568	2	ChEMBL_216751 (CHEMBL820636)	Inhibition of [3H]rolipram binding to Wistar rat brain membranes
50003568	3	ChEMBL_152918 (CHEMBL758788)	Inhibition of phosphodiesterase 3 (PDE3) isolated from the dog aorta
50003568	4	ChEMBL_156177 (CHEMBL760946)	Inhibition of phosphodiesterase 1/5 isozyme (PDE1/5) mixture isolated from the guinea pig trachea.
50003569	1	ChEMBL_177948 (CHEMBL785164)	The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed by the compounds ability to inhibit the after-hyperpolarization in cultured rat superior cervical ganglion neurons
50003570	1	ChEMBL_60941 (CHEMBL673066)	Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.
50003570	2	ChEMBL_58816 (CHEMBL668240)	Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.
50003571	1	ChEMBL_88905 (CHEMBL698300)	Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relative to [3H]-Idazoxan radioligand)
50003572	1	ChEMBL_152935 (CHEMBL757135)	Concentration at which 50% of the activity of the Phosphodiesterase 4 from Human U937 cells is inhibited
50003573	1	ChEMBL_39802 (CHEMBL856062)	Inhibition of human recombinant PKCalpha
50003574	1	ChEMBL_33812 (CHEMBL647196)	Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP
50003574	2	ChEMBL_33669 (CHEMBL649856)	Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor
50003574	3	ChEMBL_33372 (CHEMBL645110)	Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine
50003574	4	ChEMBL_33668 (CHEMBL649855)	Inhibitory constant determined using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor
50003574	5	ChEMBL_33209 (CHEMBL643234)	Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine
50003574	6	ChEMBL_33811 (CHEMBL647195)	Alpha-2C adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP
50003574	7	ChEMBL_33794 (CHEMBL648119)	Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP
50003574	8	ChEMBL_33804 (CHEMBL647188)	Alpha-2B adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP
50003574	9	ChEMBL_33803 (CHEMBL858095)	Alpha-2B adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP
50003575	1	ChEMBL_160273 (CHEMBL767034)	Inhibition of Protein kinase C alpha
50003576	1	ChEMBL_88903 (CHEMBL858411)	Displacement of [3H]idazoxan from I2 imidazoline binding sites (I2Bs) of rabbit renal cortex membranes
50003576	2	ChEMBL_88904 (CHEMBL698299)	Displacement of [3H]clonidine from imidazoline receptor I-1 of bovine chromaffin cell membranes
50003577	1	ChEMBL_195344 (CHEMBL802586)	Inhibitory activity against E138K mutant reverse transcriptase
50003577	2	ChEMBL_195380 (CHEMBL802417)	Inhibitory activity against R172A mutant reverse transcriptase
50003577	3	ChEMBL_195504 (CHEMBL798925)	Inhibitory activity against wild-type HIV-1 reverse transcriptase
50003578	1	ChEMBL_34583 (CHEMBL645393)	Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane using [3H]-prazosin radioligand
50003578	2	ChEMBL_34232 (CHEMBL648726)	Binding affinity towards alpha-2 adrenergic receptor in rat cortex membrane using [3H]rauwolscine radioligand
50003578	3	ChEMBL_34302 (CHEMBL652746)	Alpha-1 adrenergic receptor binding affinity of the compound, value taken from literature
50003578	4	ChEMBL_34304 (CHEMBL652748)	Alpha-1-adrenergic receptor binding affinity of the compound, value taken from literature
50003579	1	ChEMBL_206966 (CHEMBL817277)	In vitro inhibition of [3H]GABA uptake in rat synaptosomes was determined
50003580	1	ChEMBL_48921 (CHEMBL660751)	Binding affinity towards 23-nt RNA oligonucleotide from the 5'-untranslated region of the cholestery ester transfer protein (CETP)
50003581	1	ChEMBL_46818 (CHEMBL857785)	Binding affinity at cannabinoid receptor 1 using rat brain membranes
50003582	1	ChEMBL_200688 (CHEMBL807099)	Binding assay at human somatostatin receptor 2 (hsst2) expressed in CCL-39 cells using LTT-CST-14-(Tyr10) as radioligand.
50003582	2	ChEMBL_200830 (CHEMBL807043)	Binding assay at human somatostatin receptor 3 (hsst3) expressed in CCL-39 cells using LTT-CST-14-(Tyr10) as radioligand.
50003582	3	ChEMBL_200669 (CHEMBL806161)	Binding assay at human somatostatin receptor 1 (hsst1) expressed in CCL-39 cells using LTT-CST-14-(Tyr10) as radioligand.
50003582	4	ChEMBL_200988 (CHEMBL801240)	Binding assay at human somatostatin receptor 5 (hsst5) expressed in CCL-39 cells using LTT-CST-14-(Tyr10) as radioligand.
50003582	5	ChEMBL_200849 (CHEMBL807059)	Binding assay at human somatostatin receptor 4 (hsst4) expressed in CCL-39 cells using LTT-CST-14-(Tyr10) as radioligand.
50003583	1	ChEMBL_154557 (CHEMBL757892)	Inhibition of PDE4 in the cytosol of human neutrophils
50003583	2	ChEMBL_154550 (CHEMBL757885)	Inhibition of PDE3 in homogenates of human blood platelets
50003584	1	ChEMBL_154556 (CHEMBL757891)	Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils
50003584	2	ChEMBL_154551 (CHEMBL757886)	Inhibitory activity of the against phosphodiesterase 3 (PDE3); No significant inhibitory activity at pIC50
50003586	1	ChEMBL_68140 (CHEMBL680716)	Displacement of [3H]17-beta-estradiol from MCF-7 cell lysate
50003587	1	ChEMBL_105273 (CHEMBL713144)	Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin
50003587	2	ChEMBL_105112 (CHEMBL715955)	Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioligand
50003588	1	ChEMBL_221154 (CHEMBL873473)	Binding affinity against p38 MAP kinase system
50003589	1	ChEMBL_204600 (CHEMBL813362)	Inhibitory concentration against rat Steroid 5-alpha-reductase
50003591	1	ChEMBL_144341 (CHEMBL750233)	Binding affinity against nicotinic receptors from rat brain using [3H]cystine as radioligand
50003591	2	ChEMBL_144344 (CHEMBL750235)	compound was evaluated for pKi
50003591	3	ChEMBL_144345 (CHEMBL750236)	compound was evaluated for pKi
50003592	1	ChEMBL_137179 (CHEMBL745349)	Inhibition of [3H]NC-NH2 binding to mouse forebrain membranes
50003592	2	ChEMBL_144880 (CHEMBL749953)	Inhibition of forskolin stimulated cAMP accumulation in CHO cells stably expressing the human OP4 receptor
50018286	41	ChEMBL_2268764	Inhibition of PI3Kalpha (unknown origin)
50018286	42	ChEMBL_2268765	Inhibition of HSP90 alpha (unknown origin)
50018286	43	ChEMBL_2268767	Inhibition of CDK2 (unknown origin) using histone H1 as substrate [gamma-33P]-ATP based analysis
50018286	44	ChEMBL_2268768	Inhibition of Bcl-2 (unknown origin)
50018286	45	ChEMBL_2268772	Inhibition of VEGFR2 (unknown origin)
50018288	1	ChEMBL_2268788	Inhibition of human cathepsin L
50018290	1	ChEMBL_2268791	Binding affinity to wild type recombinant Staphylococcus aureus SrtA using Dabcyl-Gln-Ala-Leu-Pro-Glu-Thr-Gly-Glu-Glu-Edans as substrate by FRET assay
50018290	2	ChEMBL_2268792	Binding affinity to Staphylococcus aureus SrtA (60 to 206 residues) using Dabcyl-Gln-Ala-Leu-Pro-Glu-Thr-Gly-Glu-Glu-Edans as substrate incubated for 12 hrs by fluorescence based analysis
50018290	3	ChEMBL_2268795	Inhibition of recombinant Staphylococcus aureus SrtA using Abz-LPETG-Dap(Dnp) as substrate
50018290	4	ChEMBL_2268796	Inhibition of recombinant Staphylococcus aureus SrtA deltaN59 using Dabcyl-QALPTTGEE-Edans as substrate preincubated for 20 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50018290	5	ChEMBL_2268797	Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET assay
50003594	1	ChEMBL_211339 (CHEMBL815032)	Inhibition of tubulin polymerization using bovine brain tubulin
50003595	1	ChEMBL_75889 (CHEMBL686754)	Antibacterial activity against Micrococcus luteus DNA gyrase.
50003595	2	ChEMBL_54016 (CHEMBL663902)	Antibacterial activity against human DNA Topo I.
50003595	3	ChEMBL_75868 (CHEMBL687255)	Antibacterial activity against Escherichia coli DNA gyrase
50003595	4	ChEMBL_53705 (CHEMBL664465)	Antibacterial activity against Escherichia coli DNA topoisomerase I
50003595	5	ChEMBL_53712 (CHEMBL663640)	Antibacterial activity against calf thymus Topo I.
50003595	6	ChEMBL_50444 (CHEMBL662164)	Antibacterial activity against human DNA Topoisomerase II
50003596	1	ChEMBL_1371 (CHEMBL616444)	Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytryptamine 1B receptor
50003596	2	ChEMBL_1743 (CHEMBL616948)	Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor
50003596	3	ChEMBL_1017 (CHEMBL616220)	binding affinity towards human recombinant 5-hydroxytryptamine 1A receptor
50003596	4	ChEMBL_2088 (CHEMBL617125)	Binding affinity towards human recombinant 5-hydroxytryptamine 1F receptor
50003596	5	ChEMBL_1625 (CHEMBL616511)	Binding affinity against calf caudate 5-hydroxytryptamine 1D receptor
50003596	6	ChEMBL_2939 (CHEMBL617880)	Binding affinity against guinea pig cortex 5-HT2C receptor in the presence of [3H]mesulergine
50003596	7	ChEMBL_2549 (CHEMBL884532)	Binding affinity against rabbit aorta 5-HT2A receptor
50003597	1	ChEMBL_33146 (CHEMBL642101)	In vitro binding affinity against alpha-1 adrenergic receptor of rat in presence of [3H]-prazosin radioligand
50003597	2	ChEMBL_32759 (CHEMBL641156)	In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand
50003597	3	ChEMBL_193508 (CHEMBL800887)	In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand
50003597	4	ChEMBL_193507 (CHEMBL800886)	In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand
50003597	5	ChEMBL_33479 (CHEMBL649810)	Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell
50003598	1	ChEMBL_66068 (CHEMBL679682)	Binding affinity for estrogen receptor.
50003598	2	ChEMBL_66067 (CHEMBL679681)	Binding affinity for estrogen receptor
50003599	1	ChEMBL_61326 (CHEMBL670101)	Ability to displace [3H]spiperone from dopamine receptor D4.4 expressed in CHO-K1 cells
50003600	1	ChEMBL_1023 (CHEMBL616225)	Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line
50003600	2	ChEMBL_33136 (CHEMBL642091)	Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex
50003601	1	ChEMBL_32629 (CHEMBL640225)	Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat cortex membrane
50003601	2	ChEMBL_220591 (CHEMBL841870)	Displacement of [3H]idazoxan from imidazoline receptor I-2 binding sites in rabbit kidney membrane
50003602	1	ChEMBL_124318 (CHEMBL732626)	Inhibition of murine Mitogen-activated protein kinase p38
50003602	2	ChEMBL_206345 (CHEMBL811494)	Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1)
50003602	3	ChEMBL_206344 (CHEMBL811493)	Inhibition of p38-related TNF alpha release by human monocyte THP-1 cell lines
50003603	1	ChEMBL_2190 (CHEMBL617016)	In vitro binding affinity to 5-hydroxytryptamine 2 receptor of rat cerebral cortex membranes using [3H]ketanserin as the radioligand
50003603	2	ChEMBL_3713 (CHEMBL618165)	Binding affinity to human recombinant 5-hydroxytryptamine 7 receptor in mammalian cells using [3H]5-CT as radioligand
50003603	3	ChEMBL_3650 (CHEMBL620786)	In vitro binding affinity at human recombinant 5-hydroxytryptamine 6 receptor in mammalian cells using 3[H]LSD as the radioligand
50003603	4	ChEMBL_1039 (CHEMBL616240)	In vitro binding affinity at human recombinant 5-hydroxytryptamine 1A receptor in mammalian cells using 3[H]8-OH-DPAT as the radioligand
50003603	5	ChEMBL_2799 (CHEMBL617652)	In vitro binding affinity at 5-hydroxytryptamine 2C receptor in pig choroid plexus using 3[H]mesulergine as the radioligand
50003603	6	ChEMBL_3298 (CHEMBL619097)	In vitro binding affinity at 5-hydroxytryptamine 4 receptor in guinea pig striatum using 3[H]GR-113808 as the radioligand
50003603	7	ChEMBL_3120 (CHEMBL617963)	In vitro binding affinity at 5-hydroxytryptamine 3 receptor in N1E-115 cells using 3[H]GR-65630 as the radioligand
50003603	8	ChEMBL_1820 (CHEMBL616792)	In vitro binding affinity at 5-hydroxytryptamine 1B receptor in rat striatal muscles using [125I](-)-iodocyanopindolol as the radioligand
50003604	1	ChEMBL_33662 (CHEMBL649243)	Affinity to human Alpha-2C adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
50003604	2	ChEMBL_33265 (CHEMBL643604)	Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes
50003604	3	ChEMBL_32592 (CHEMBL642984)	Affinity to human Alpha-1D adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes
50003604	4	ChEMBL_34489 (CHEMBL647201)	Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes
50003604	5	ChEMBL_33365 (CHEMBL644767)	Affinity to human Alpha-2B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
50003604	6	ChEMBL_33262 (CHEMBL643542)	Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptor
50003604	7	ChEMBL_34476 (CHEMBL651231)	Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts
50003604	8	ChEMBL_33200 (CHEMBL640501)	Affinity to human Alpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
50003604	9	ChEMBL_33085 (CHEMBL858094)	Agonist potency at Alpha-2A stably expressed in CHO cells.
50003604	10	ChEMBL_32576 (CHEMBL643414)	Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor
50003604	11	ChEMBL_33653 (CHEMBL858096)	Agonist potency at Alpha-2C adrenergic receptor assayed in CHO cells expressing human Alpha-2C adrenergic receptor
50003604	12	ChEMBL_33654 (CHEMBL649235)	Agonist potency at Alpha-2C adrenergic receptor expressed in CHO cells
50003604	13	ChEMBL_32575 (CHEMBL643413)	Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts
50003604	14	ChEMBL_33087 (CHEMBL643579)	Agonist potency at Alpha-2A adrenergic receptor expressed in CHO cells
50003604	15	ChEMBL_32577 (CHEMBL643415)	Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human alpha1d
50003604	16	ChEMBL_32578 (CHEMBL643416)	Agonist potency at aAlpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor
50003604	17	ChEMBL_33202 (CHEMBL642152)	Affinity to human aAlpha-2A adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
50003604	18	ChEMBL_33086 (CHEMBL643578)	Agonist potency at Alpha-2A adrenergic receptor assayed in CHO cells expressing human alpha 2a
50003604	19	ChEMBL_34477 (CHEMBL651232)	Agonist potency at alpha-1b adrenoceptors assayed in rat-1 fibroblasts expressing human Alpha-1B adrenergic receptor
50003604	20	ChEMBL_33263 (CHEMBL643543)	Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1A
50003604	21	ChEMBL_34625 (CHEMBL643906)	Affinity to human Alpha-1B adrenergic receptor determined by radioligand binding techniques from chinese hamster ovary (CHO) cells
50003604	22	ChEMBL_218074 (CHEMBL822107)	Agonist potency at Alpha-1A adrenoceptors assayed in rat-1 fibroblasts expressing human Alpha-1A
50003604	23	ChEMBL_33264 (CHEMBL643603)	Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptor
50003604	24	ChEMBL_218077 (CHEMBL822110)	Agonist potency at alpha-1b adrenoceptors assayed in rat-1 fibroblasts expressing human alpha-1b
50003605	1	ChEMBL_207459 (CHEMBL817439)	Inhibitory activity against tumor necrosis factor alpha (TNF-alpha) production in LPS-stimulated human PBMCs
50003605	2	ChEMBL_104903 (CHEMBL713439)	Inhibitory potency against Matrix metalloprotease-3 (MMP-3)
50003605	3	ChEMBL_212583 (CHEMBL811885)	Inhibitory potency against Tumor necrosis factor alpha converting enzyme (TACE)
50003605	4	ChEMBL_104562 (CHEMBL878219)	Inhibitory potency against Matrix metalloprotease-2 (MMP-2)
50003605	5	ChEMBL_106440 (CHEMBL718063)	Inhibitory potency against Matrix metalloprotease-1 (MMP-1)
50003607	1	ChEMBL_157040 (CHEMBL765683)	Inhibition of phosphodiesterase 4 (PDE4)
50003608	1	ChEMBL_157195 (CHEMBL768608)	Inhibitory concentration against phosphodiesterase 4 (PDE4) in cytosol of human neutrophils
50003609	1	ChEMBL_157194 (CHEMBL768607)	Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of human neutrophils
50003610	1	ChEMBL_225818 (CHEMBL844434)	Inhibition of tubulin polymerization reported as IC50
50003610	2	ChEMBL_211338 (CHEMBL820781)	Inhibition of tubulin polymerization reported as IC50
50003612	1	ChEMBL_225813 (CHEMBL845252)	Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade
50003613	1	ChEMBL_124302 (CHEMBL737142)	Inhibition of p38 MAP kinase related TNF-alpha release from peripheral blood mononuclear cells (PBMC)
50003613	2	ChEMBL_124301 (CHEMBL737141)	Inhibition of p38 MAP kinase related TNF-alpha release from human whole blood
50003613	3	ChEMBL_124304 (CHEMBL732613)	Inhibition of p38 MAP kinase related interleukin (IL1-beta (cytokine) release from human whole blood
50003613	4	ChEMBL_124180 (CHEMBL732096)	Inhibition of Mitogen-activated protein kinase p38
50003613	5	ChEMBL_86611 (CHEMBL699338)	Inhibition of p38 MAP kinase related interleukin (IL1-beta (cytokine) release from human whole blood
50003613	6	ChEMBL_124305 (CHEMBL732614)	Inhibition of p38 MAP kinase related interleukin (IL1-beta (cytokine) release from human whole blood
50003613	7	ChEMBL_124303 (CHEMBL732612)	Inhibition of p38 MAP kinase related TNF-alpha release from peripheral blood mononuclear cells (PBMC)
50003614	1	ChEMBL_210406 (CHEMBL814135)	Binding affinity against Thermolysin
50003614	2	ChEMBL_158028 (CHEMBL858358)	Affinity for HIV Protease
50003614	3	ChEMBL_213235 (CHEMBL821445)	Binding affinity against trypsin
50003614	4	ChEMBL_68775 (CHEMBL684424)	Binding affinity against Fatty acid-binding protein
50003614	5	ChEMBL_52870 (CHEMBL666229)	Binding affinity against Dihydrofolate reductase
50003614	6	ChEMBL_162010 (CHEMBL764181)	Binding affinity against Purine Nucleoside Phosphatase
50003614	7	ChEMBL_45246 (CHEMBL658949)	Binding affinity against Carbonic anhydrase II
50003614	8	ChEMBL_45637 (CHEMBL655447)	Binding affinity against Carboxypeptidase A
50003614	9	ChEMBL_210686 (CHEMBL817284)	log Kd (Binding affinity against specified protein) value of the compound
50003614	10	ChEMBL_45327 (CHEMBL661015)	Binding affinity against Cathepsin D
50003614	11	ChEMBL_4341 (CHEMBL620975)	log Kd which is the binding affinity against 6-phosphogluconate dehydrogenase
50003614	12	ChEMBL_209061 (CHEMBL815653)	Binding affinity against thrombin
50003615	1	ChEMBL_143722 (CHEMBL884065)	In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2
50003615	2	ChEMBL_143874 (CHEMBL751230)	in vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2
50003615	3	ChEMBL_143858 (CHEMBL748862)	In vitro inhibition of [3H]-Cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 at 100 uM
50003615	4	ChEMBL_143856 (CHEMBL748860)	In vitro binding affinity by inhibiting [3H]cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2
50003615	5	ChEMBL_143723 (CHEMBL753473)	In vitro binding affinity by inhibiting [3H]dopamine release in rat brain tissue at aNicotinic acetylcholine receptor alpha4-beta2
50003616	1	ChEMBL_139243 (CHEMBL746610)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in transfected CHO cells.
50003616	2	ChEMBL_138832 (CHEMBL752414)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in transfected CHO cells.
50003616	3	ChEMBL_138544 (CHEMBL746412)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in transfected CHO cells.
50003616	4	ChEMBL_139517 (CHEMBL748274)	Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in transfected CHO cells.
50003616	5	ChEMBL_139891 (CHEMBL744478)	Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in transfected CHO cells.
50003617	1	ChEMBL_209205 (CHEMBL817332)	Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments
50003618	1	ChEMBL_226390 (CHEMBL847558)	Concentration necessary to induce a relative half-maximal response measured by the entry of [Ca2+] into human embryonic kidney HEK293 cells overexpressing the human VR1
50003618	2	ChEMBL_226392 (CHEMBL847560)	[Ca2+] influx into human embryonic kidney HEK293 cells overexpressing human VR1
50003619	1	ChEMBL_223713 (CHEMBL845816)	Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomes
50003619	2	ChEMBL_176822 (CHEMBL780515)	Inhibitory effect against veratridine-induced glutamate release from rat brain slices
50003619	3	ChEMBL_217675 (CHEMBL819969)	Displacement of dihydropyridine (DHP) from the L-type calcium channel binding site
50003619	4	ChEMBL_223715 (CHEMBL845818)	Displacement of diltiazem from L-type calcium channel binding site
50003619	5	ChEMBL_223712 (CHEMBL845815)	Displacement of DHP from L-type calcium channel binding site
50003619	6	ChEMBL_223716 (CHEMBL844976)	Displacement of verapamil from L-type calcium channel binding site
50003619	7	ChEMBL_223714 (CHEMBL845817)	Displacement of [3H]-TTX from sodium channel of rat cerebral cortex synaptosomes
50003619	8	ChEMBL_217676 (CHEMBL819970)	Displacement of diltiazem from L-type calcium channel binding site
50003619	9	ChEMBL_217677 (CHEMBL819971)	Displacement of verapamil from L-type calcium channel binding site
50003620	1	ChEMBL_140024 (CHEMBL859328)	Binding of [3H]N-methylscopolamine at porcine heart Muscarinic acetylcholine receptor M2 that inhibits the dissociation of [3H]NMS half maximally (pEC50diss) was reported
50003621	1	ChEMBL_143697 (CHEMBL754303)	Displacement of [3H]cytisine from Nicotinic acetylcholine receptor alpha4-beta2 in rat forebrain
50003622	1	ChEMBL_70996 (CHEMBL680572)	Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b
50003623	1	ChEMBL_210773 (CHEMBL815744)	Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells
50003624	1	ChEMBL_211337 (CHEMBL820780)	Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.
50003625	1	ChEMBL_211347 (CHEMBL815040)	Inhibitory activity against tubulin polymerization.
50003626	1	ChEMBL_210780 (CHEMBL816597)	Potency against rat Urotensin 2 receptor
50003626	2	ChEMBL_210771 (CHEMBL815742)	Potency against human Urotensin 2 receptor
50003627	1	ChEMBL_54211 (CHEMBL668090)	Inhibitory activity in a DNA cleavage assay using HeLa DNA topoisomerase II yielding its effective concentration
50003627	2	ChEMBL_54344 (CHEMBL669719)	Inhibitory activity in a DNA cleavage assay using HeLa DNA topoisomerase II yielding its effective concentration
50003628	1	ChEMBL_87541 (CHEMBL695139)	Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%
50003628	2	ChEMBL_77529 (CHEMBL686829)	Concentration required to inhibit the partially purified HDAC enzyme by 50% obtained from H1299 cell lysate
50003629	1	ChEMBL_45436 (CHEMBL657036)	Concentration which produces 50% Inhibition of human Carbonic anhydrase IV
50003629	2	ChEMBL_44889 (CHEMBL657916)	Concentration which produces 50% inhibition of human Carbonic anhydrase II
50003630	1	ChEMBL_158035 (CHEMBL768259)	Inhibitory activity against HIV-1 protease
50003631	1	ChEMBL_206290 (CHEMBL883640)	Binding affinity to the sulfonylurea receptor 2A (SUR2A) in purified membranes of rat-heart myocytes
50003631	2	ChEMBL_206294 (CHEMBL810539)	Binding affinity towards Sulfonylurea receptor 2B (SUR2B) in cultured rat aortic smooth muscle cells (SMC)
50003632	1	ChEMBL_61681 (CHEMBL670057)	Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells
50003632	2	ChEMBL_198042 (CHEMBL800739)	Inhibition of [125I]RTI-55 binding to human SERT in clonal cells
50003633	1	ChEMBL_210407 (CHEMBL814136)	pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)
50003634	1	ChEMBL_154559 (CHEMBL757894)	Activation of PDE4D3 (phosphodiesterase).
50003635	1	ChEMBL_147092 (CHEMBL758257)	Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor kappa 1 using [3H]- U-69,593 as radioligand
50003635	2	ChEMBL_145450 (CHEMBL752039)	Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand
50003635	3	ChEMBL_147303 (CHEMBL857861)	Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand
50003636	1	ChEMBL_156622 (CHEMBL759867)	Inhibition of dual cGMP-inhibited phosphodiesterase 3 (PDE3) was determined in homogenates from human platelets.
50003636	2	ChEMBL_157193 (CHEMBL873456)	inhibition of cAMP-specific phosphodiesterase 4 (PDE4) was determined in cytosol from human neutrophils
50003638	1	ChEMBL_157 (CHEMBL857972)	In vitro binding affinity towards (alpha-4)2(beta-2)3 neuronal nicotinic acetylcholine receptor in P2 membrane fractions of rat forebrain
50003639	1	ChEMBL_32752 (CHEMBL645211)	Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic receptors
50003639	2	ChEMBL_220584 (CHEMBL841027)	Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells
50003639	3	ChEMBL_220595 (CHEMBL842748)	Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney membranes
50003639	4	ChEMBL_33646 (CHEMBL647565)	Displacement of [3H]-RX 821002 from Alpha-2 adrenergic receptors of rabbit white fat cell membranes
50003640	1	ChEMBL_200850 (CHEMBL807060)	Binding affinity towards human Somatostatin receptor type 4 (sst4) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells
50003640	2	ChEMBL_200989 (CHEMBL857866)	Binding affinity towards human Somatostatin receptor type 5 (sst5) using Tyr11-[125I]-SRIF as radioligand was determined in COS cell
50003640	3	ChEMBL_200670 (CHEMBL857867)	Binding affinity towards human Somatostatin receptor type 1 (sst1) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells
50003640	4	ChEMBL_200689 (CHEMBL857870)	Binding affinity towards human Somatostatin receptor type 2 (sst2) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells
50003640	5	ChEMBL_200831 (CHEMBL857868)	Binding affinity towards human Somatostatin receptor type 3 (sst3) using Tyr11-[125I]-SRIF as radioligand was determined in CHO cells
50003641	1	ChEMBL_105851 (CHEMBL717321)	Binding affinity towards Melanocortin 1 receptor, expressed as negative log of the Ki value
50003641	2	ChEMBL_106029 (CHEMBL718201)	Binding affinity towards Melanocortin 3 receptor, expressed as negative log of the Ki value
50003641	3	ChEMBL_106493 (CHEMBL717597)	Binding affinity towards Melanocortin 4 receptor, expressed as negative log of the Ki value
50003641	4	ChEMBL_106665 (CHEMBL714018)	Binding affinity towards Melanocortin 5 receptor, expressed as negative log of the Ki value
50003641	5	ChEMBL_106664 (CHEMBL714017)	Binding affinity towards Melanocortin 5 receptor, expressed as negative log of the Ki value
50003642	1	ChEMBL_83798 (CHEMBL692574)	Compound was tested for H3 receptor competition binding using [3H]- Na-methylhistamine
50003642	2	ChEMBL_87224 (CHEMBL696445)	Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H4 receptor
50003642	3	ChEMBL_83662 (CHEMBL694891)	Inhibition of the forskolin-stimulated cAMP production in SK-N-MC cells expressing human Histamine H3 receptor
50003642	4	ChEMBL_83799 (CHEMBL692575)	Histamine H3 receptor competition binding using [3H]Na-methylhistamine
50003642	5	ChEMBL_87227 (CHEMBL696447)	Histamine H4 receptor competition binding using [3H]Na-methylhistamine
50003642	6	ChEMBL_87223 (CHEMBL696444)	Inhibition of the forskolin-stimulated cAMP production for human Histamine H4 receptor
50003643	1	ChEMBL_213754 (CHEMBL817156)	Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10 e-8 M
50003643	2	ChEMBL_150029 (CHEMBL757001)	Inhibitory activity against TNF-alpha release in PBM cells
50003643	3	ChEMBL_150028 (CHEMBL757000)	Inhibitory activity against induction of IL-1-beta release in PBMCs
50003643	4	ChEMBL_124331 (CHEMBL732887)	Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10 e-8 M concentration
50003643	5	ChEMBL_213753 (CHEMBL878982)	Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 e-8 M
50003644	1	ChEMBL_156792 (CHEMBL756956)	In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C
50003644	2	ChEMBL_211692 (CHEMBL820474)	In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulin
50003644	3	ChEMBL_211691 (CHEMBL820473)	In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on Tubulin
50003645	1	ChEMBL_75872 (CHEMBL686739)	Inhibition effect on Escherichia coli Wild Type DNA gyrase Supercoiling activity
50003645	2	ChEMBL_75874 (CHEMBL686741)	Inhibition of Quinolone resistant gyrase Supercoiling Activity in Escherichia coli
50003645	3	ChEMBL_75875 (CHEMBL686742)	Inhibition of Wild Type DNA gyrase Supercoiling Activity in Escherichia coli
50003645	4	ChEMBL_75873 (CHEMBL686740)	Inhibition of Escherichia coli Quinolone resistant gyrase Supercoiling activity
50003646	1	ChEMBL_67516 (CHEMBL682300)	Binding affinity for Estrogen receptor alpha of human breast cancer cells (MCF-7) by displacement of [3H]17-alpha-estradiol
50003647	1	ChEMBL_148273 (CHEMBL750190)	Inhibition of N/OFQ binding to human Orphanin FQ receptor (Nociceptin/Orphanin)
50003647	2	ChEMBL_145630 (CHEMBL857860)	Inhibition of deltorphin II binding to human Opioid receptor delta 1
50003647	3	ChEMBL_145416 (CHEMBL858426)	Inhibition of naloxone binding to human Opioid receptor kappa 1
50003647	4	ChEMBL_148364 (CHEMBL857863)	Inhibition of DAMGO binding to human Opioid receptor mu 1
50003649	1	ChEMBL_87540 (CHEMBL695138)	Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates
50003650	1	ChEMBL_206608 (CHEMBL810793)	Inhibitory activity determined against human Suv3 helicase using DNA as substrate
50003650	2	ChEMBL_206610 (CHEMBL810795)	Inhibitory activity against human Suv3 helicase using RNA as substrate
50003651	1	ChEMBL_34611 (CHEMBL645569)	Binding affinity measured in CHO cells expressing human cloned Alpha-1B adrenergic receptor expressed as pKi
50003651	2	ChEMBL_34609 (CHEMBL859454)	Binding affinity measured in CHO cells expressing human cloned Alpha-1B adrenergic receptor expressed as pKi
50003651	3	ChEMBL_32598 (CHEMBL640171)	Binding affinity measured in CHO cells expressing human cloned Alpha-1D adrenergic receptor expressed as pKi
50003651	4	ChEMBL_33883 (CHEMBL643755)	Binding affinity measured in CHO cells expressing human cloned Alpha-1A adrenergic receptor expressed as pKi
50003652	1	ChEMBL_62595 (CHEMBL674272)	Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand
50003652	2	ChEMBL_60540 (CHEMBL674348)	Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand
50003653	1	ChEMBL_60394 (CHEMBL672230)	Binding affinity against human Dopamine receptor D2 in CHO cells using [125I]iodosulpiride
50003653	2	ChEMBL_2522 (CHEMBL617255)	Binding affinity against 5-hydroxytryptamine 2A receptor human cloned receptors in HEK 293 cells using [3H]ketanserin as radioligand
50003653	3	ChEMBL_1003 (CHEMBL616046)	Binding affinity against human 5-hydroxytryptamine 1A receptors HEK 293 cell membranes using [35S]GTP gamma-S
50003653	4	ChEMBL_3637 (CHEMBL619955)	Binding affinity against 5-hydroxytryptamine 6 human cloned receptors in HeLa cells using [3H]LSD as radioligand
50003653	5	ChEMBL_2524 (CHEMBL616874)	Binding affinity against 5-hydroxytryptamine 2A receptor human cloned receptorswithouteffect in HEK 293 cells using [3H]ketanserin as radioligand
50003653	6	ChEMBL_3638 (CHEMBL619956)	Binding affinity against 5-hydroxytryptamine 6 human cloned receptors in HeLa cells using [3H]LSD as radioligand
50003653	7	ChEMBL_2752 (CHEMBL617749)	Binding affinity against 5-hydroxytryptamine 2C receptor human cloned receptorswithouteffect in HEK 293 cells using [3H]mesulergine as radioligand
50003653	8	ChEMBL_3636 (CHEMBL619954)	Binding affinity against 5-hydroxytryptamine 6 human cloned receptors in HeLa cells
50003653	9	ChEMBL_3712 (CHEMBL618164)	Binding affinity against 5-hydroxytryptamine 7 human receptors
50003653	10	ChEMBL_1026 (CHEMBL616228)	Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells using [3H]8-OH-DPAT as radioligand
50003653	11	ChEMBL_1376 (CHEMBL616449)	Binding affinity against cloned human 5-hydroxytryptamine 1B receptor in CHO cells using [3H]5-CT as radioligand
50003653	12	ChEMBL_2751 (CHEMBL617512)	Binding affinity against 5-hydroxytryptamine 2C receptor human cloned receptors in HEK 293 cells using [3H]mesulergine as radioligand
50003653	13	ChEMBL_1025 (CHEMBL616227)	Binding affinity against 5-hydroxytryptamine 1A human cloned receptors in HEK293 cells
50003653	14	ChEMBL_2523 (CHEMBL617256)	Binding affinity against 5-hydroxytryptamine 2A receptor human cloned receptors in HEK 293 cells using [3H]ketanserin as radioligand
50003653	15	ChEMBL_1378 (CHEMBL857974)	Binding affinity against human 5-hydroxytryptamine 1B receptor cloned receptors in CHO cells using [3H]5-CT as radioligand
50003653	16	ChEMBL_1377 (CHEMBL616450)	Binding affinity against human 5-hydroxytryptamine 1B receptor cloned receptors in CHO cells
50003654	1	ChEMBL_3767 (CHEMBL620766)	Binding affinity at rat 5-hydroxytryptamine 7 receptor.
50003655	1	ChEMBL_83663 (CHEMBL694892)	Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine H3 receptor
50003655	2	ChEMBL_87225 (CHEMBL696446)	Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galactosidase transcription in SK-N-MC cells expressing the human Histamine H4 receptor
50003655	3	ChEMBL_87229 (CHEMBL696449)	Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H4 receptor
50003655	4	ChEMBL_83804 (CHEMBL692580)	Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H3 receptor
50003655	5	ChEMBL_87230 (CHEMBL696450)	Inhibition of [3H]-histamine binding to membranes of SK-N-MC cells expressing the human Histamine H4 receptor
50003656	1	ChEMBL_3768 (CHEMBL620767)	Binding affinity towards 5-hydroxytryptamine receptor 7 on rat hypothalamus membranes using [3H]5-CT as radioligand.
50003656	2	ChEMBL_3711 (CHEMBL618163)	Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor was determined using [3H]5-CT as radioligand
50003656	3	ChEMBL_3769 (CHEMBL620768)	Binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor was determined using [3H]5-HT as radioligand
50003656	4	ChEMBL_3710 (CHEMBL618162)	Binding affinity towards cloned human 5-hydroxytryptamine 7 receptor was determined in HEK293 cells using [3H]5-CT as radioligand
50003656	5	ChEMBL_3786 (CHEMBL619862)	Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 receptor
50003657	1	ChEMBL_87539 (CHEMBL695137)	Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells
50003658	1	ChEMBL_34828 (CHEMBL648762)	Inhibitory concentration that gives 50% displacement of specific binding at labeled angiotensin II type 1 receptor in rat adrenal cortical membranes.
50003659	1	ChEMBL_139241 (CHEMBL746456)	Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine
50003659	2	ChEMBL_139513 (CHEMBL748270)	Binding affinity towards cloned human muscarinic acetylcholine receptor M5 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine
50003659	3	ChEMBL_138830 (CHEMBL752412)	Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine
50003659	4	ChEMBL_139888 (CHEMBL744475)	Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine
50003659	5	ChEMBL_84555 (CHEMBL692990)	Compound was evaluated for binding affinity towards cloned human histamine H1 receptors stably expressed in CHO-K1 cells using [3H]mepyramine
50003659	6	ChEMBL_138541 (CHEMBL746259)	Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine
50003660	1	ChEMBL_140025 (CHEMBL859326)	Effective concentration required to inhibit dissociation of [3H]NMS from porcine heart ventricles muscarinic acetylcholine receptor M2.
50003661	1	ChEMBL_143395 (CHEMBL750861)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta4
50003661	2	ChEMBL_143103 (CHEMBL749353)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2
50003661	3	ChEMBL_144013 (CHEMBL750428)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta4
50003661	4	ChEMBL_143230 (CHEMBL750091)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta4
50003661	5	ChEMBL_143706 (CHEMBL756006)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta2
50003661	6	ChEMBL_143244 (CHEMBL752532)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta2
50003661	7	ChEMBL_143245 (CHEMBL752533)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta2
50003661	8	ChEMBL_143394 (CHEMBL857598)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha3-beta4
50003661	9	ChEMBL_143231 (CHEMBL750092)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta4
50003661	10	ChEMBL_143102 (CHEMBL749352)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2
50003661	11	ChEMBL_143696 (CHEMBL883403)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta2
50003661	12	ChEMBL_144012 (CHEMBL750427)	Tested for binding affinity against Nicotinic acetylcholine receptor alpha4-beta4
50003662	1	ChEMBL_140026 (CHEMBL745569)	Ability to dissociate radioligand [3H]NMS from muscarinic acetylcholine receptor M2 of porcine heart
50003663	1	ChEMBL_105272 (CHEMBL858415)	Binding Affinity (pKi) towards human Melatonin receptor type 1B
50003663	2	ChEMBL_105111 (CHEMBL715954)	Binding Affinity (pKi) towards human Melatonin receptor type 1A
50003663	3	ChEMBL_105110 (CHEMBL715953)	Binding Affinity (pKi) towards Melatonin receptor type 1A
50003664	1	ChEMBL_100276 (CHEMBL712018)	Inhibition of estradiol induced estrogen receptor transcriptional activation in MCF-7-2a cells
50003665	1	ChEMBL_210559 (CHEMBL819270)	Inhibition of thioredoxin reductase
50003665	2	ChEMBL_210560 (CHEMBL816512)	Inhibition of thioredoxin reductase in the presence of thioredoxinand insulin
50003666	1	ChEMBL_142921 (CHEMBL872674)	Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor binding sites in rat brain membranes at room temperature
50003667	1	ChEMBL_48199 (CHEMBL665995)	Binding affinity to human CBG receptor (corticosteroid-binding globulins)
50003668	1	ChEMBL_212009 (CHEMBL815109)	Inhibitory concentration required against MAP-rich tubulin polymerization
50003669	1	ChEMBL_145715 (CHEMBL754083)	Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor
50003669	2	ChEMBL_145714 (CHEMBL754082)	Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptors
50003669	3	ChEMBL_145713 (CHEMBL754081)	Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor
50003669	4	ChEMBL_145716 (CHEMBL883563)	Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors.
50003670	1	ChEMBL_33506 (CHEMBL857772)	In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay
50003670	2	ChEMBL_34176 (CHEMBL648415)	In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay
50003670	3	ChEMBL_33207 (CHEMBL643232)	In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay
50003670	4	ChEMBL_34318 (CHEMBL648102)	In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay
50003670	5	ChEMBL_33594 (CHEMBL652803)	In vitro binding affinity towards alpha-1A adrenergic receptor of bovine clone in radioligand binding assay
50003670	6	ChEMBL_32871 (CHEMBL648011)	In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay
50003671	1	ChEMBL_50463 (CHEMBL657333)	Iinhibitory activity against Escherichia coli DNA gyrase
50003672	1	ChEMBL_87714 (CHEMBL697498)	Inhibitory concentration against histone deacetylase (HDAC); Value ranges from 10-20 uM
50003672	2	ChEMBL_87713 (CHEMBL697497)	Inhibition of histone deacetylase (HDAC) activity in DU-145 nuclear extracts
50003672	3	ChEMBL_87716 (CHEMBL697500)	Inhibitory concentration against histone deacetylase (HDAC); Value ranges from 5-80 uM
50003672	4	ChEMBL_87715 (CHEMBL697499)	Inhibitory concentration against histone deacetylase (HDAC); Value ranges from 5-8 uM
50003673	1	ChEMBL_60398 (CHEMBL672843)	Displacement of [3H]spiperone from human Dopamine receptor D2
50003673	2	ChEMBL_60846 (CHEMBL675988)	Displacement of [3H]spiperone from human Dopamine receptor D4
50003673	3	ChEMBL_62584 (CHEMBL671515)	Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3
50003675	1	ChEMBL_67013 (CHEMBL680599)	Binding affinity towards estrogen receptor was determined
50003677	1	ChEMBL_66867 (CHEMBL675206)	Displacement of [3H]-estradiol (E2) from sheep uterine estrogen receptor
50003678	1	ChEMBL_159256 (CHEMBL764083)	In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method
50003678	2	ChEMBL_157824 (CHEMBL769428)	In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method
50003679	1	ChEMBL_67504 (CHEMBL682288)	Inhibition of [3H]E2 binding to estrogen receptor alpha in MCF-7 cell lysate
50003680	1	ChEMBL_211348 (CHEMBL815687)	Inhibitory concentration against calf tubulin polymerization
50003681	1	ChEMBL_29688 (CHEMBL636888)	Inhibition of Abl kinase
50003681	2	ChEMBL_202603 (CHEMBL806427)	Inhibition of recombinant human Src kinase
50003681	3	ChEMBL_202604 (CHEMBL806428)	Inhibition of Src kinase
50003682	1	ChEMBL_210774 (CHEMBL815745)	Binding affinity towards human Urotensin 2 receptor was determined
50003683	1	ChEMBL_33992 (CHEMBL643448)	In vitro inhibitory activity against alpha-1 adrenergic receptor binding to rat brain membranes
50003683	2	ChEMBL_99697 (CHEMBL715186)	In vitro inhibition of Glu/Gly stimulated [Ca2+] influx in LtK-cells expressing the hNR1a/NR2B receptor
50003683	3	ChEMBL_143457 (CHEMBL752567)	Compound was evaluated for in vitro inhibition of [3H][(E)-N-(2-methoxybenzyl)cinnamamidine binding to human NR1a/NR2B receptors expressed in LtK-cells
50003684	1	ChEMBL_212418 (CHEMBL816169)	Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1)
50003684	2	ChEMBL_124306 (CHEMBL732615)	Inhibition of human Mitogen-activated protein kinase p38
50003684	3	ChEMBL_89070 (CHEMBL698857)	Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC)
50003684	4	ChEMBL_212565 (CHEMBL873881)	Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC)
50003686	1	ChEMBL_215796 (CHEMBL820085)	Agonistic activity against vanilloid receptor 1 (TRPV1)
50003687	1	ChEMBL_311891 (CHEMBL833860)	Inhibition of EGF-stimulated Elk1-luciferase reporter assay in HeLa cells
50003688	1	ChEMBL_304040 (CHEMBL840218)	Binding affinity towards human orexin receptor type 2 was determined using [125I]-Orexin A as radio ligand
50003688	2	ChEMBL_304039 (CHEMBL840217)	Binding affinity towards human orexin receptor type 1 was determined using [125I]-Orexin A as radio ligand
50003689	1	ChEMBL_306799 (CHEMBL832384)	Inhibition of after hyperpolarization (AHP) of cultured rat sympathetic neurons as SKCa channel blocking activity
50003690	1	ChEMBL_313095 (CHEMBL836811)	Inhibition of 10e-9 M E2 stimulated transcriptional activation in ER+MCF-7/2a breast cancer cells
50003690	2	ChEMBL_312577 (CHEMBL835243)	Inhibition of ER-MDA-MB 231 breast cancer cell proliferation over 200 hr
50003690	3	ChEMBL_312806 (CHEMBL837766)	Inhibition of 10e-9 M E2 stimulated MCF-7 breast cancer cell proliferation
50003690	4	ChEMBL_313096 (CHEMBL836812)	Inhibition of 10e-9 M E2 stimulated transcriptional activation in ER+MCF-7/2a breast cancer cells
50003691	1	ChEMBL_313068 (CHEMBL835873)	Antagonist activity as inhibition of 1 nM 17-beta-estradiol stimulated alkaline phosphatase induction in Ishikawa endometrial cells
50003691	2	ChEMBL_310691 (CHEMBL837410)	Agonist activity as alkaline phosphatase induction in Ishikawa endometrial cells compared to E2
50003691	3	ChEMBL_312915 (CHEMBL826597)	Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferation
50003692	1	ChEMBL_305555 (CHEMBL828574)	Inhibitory concentration against human DNA topoisomerase II
50003692	2	ChEMBL_306028 (CHEMBL829954)	Inhibitory concentration against Staphylococcus aureus DNA topoisomerase IV
50003693	1	ChEMBL_303640 (CHEMBL828850)	Inhibition of [3H]- cytisine binding to Nicotinic acetylcholine receptor alpha4-beta2 of rat cortical membranes
50003695	1	ChEMBL_304872 (CHEMBL829248)	Inhibitory concentration against human DNA topoisomerase II
50003696	1	ChEMBL_304070 (CHEMBL839745)	Displacement of fluorescent ligand from binding domain of progesterone receptor
50003696	2	ChEMBL_309956 (CHEMBL837212)	Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B
50003697	1	ChEMBL_303690 (CHEMBL829735)	Inhibition of [3H](-)-nicotine binding to rat brain (minus cerebellum) Nicotinic acetylcholine receptor alpha4-beta2
50003697	2	ChEMBL_302787 (CHEMBL839472)	Binding affinity for rat Nicotinic acetylcholine receptor alpha2-beta4
50003697	3	ChEMBL_302788 (CHEMBL839473)	Binding affinity for rat Nicotinic acetylcholine receptor alpha3-beta2
50003697	4	ChEMBL_303189 (CHEMBL829683)	Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2
50003697	5	ChEMBL_302789 (CHEMBL839474)	Binding affinity for rat Nicotinic acetylcholine receptor alpha3-beta4
50003697	6	ChEMBL_302790 (CHEMBL876358)	Binding affinity for rat Nicotinic acetylcholine receptor alpha4-beta4
50003697	7	ChEMBL_302786 (CHEMBL839471)	Binding affinity for rat Nicotinic acetylcholine receptor alpha2-beta2
50003698	1	ChEMBL_304034 (CHEMBL840212)	Displacement of specific [125I]AB-MECA binding at human Adenosine A3 receptor expressed in CHO cells
50003699	1	ChEMBL_304047 (CHEMBL840224)	Binding affinity towards human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD
50003699	2	ChEMBL_304065 (CHEMBL839740)	Binding affinity towards human 5-hydroxytryptamine receptor 1A expressed in HEK 293 cells using the radioligand [3H]8-OH-DPAT
50003699	3	ChEMBL_304048 (CHEMBL840225)	Binding affinity towards human 5-hydroxytryptamine receptor 6 expressed in HeLa cells using the radioligand [3H]LSD
50003699	4	ChEMBL_304068 (CHEMBL839743)	Binding affinity towards human 5-hydroxytryptamine receptor 2C expressed in HEK 293 cells using the radioligand [3H]mesulergine
50003699	5	ChEMBL_304055 (CHEMBL839353)	Binding affinity towards human alpha-1B-adrenergic receptor expressed in CHO cells using the radioligand [3H]prazosin
50003699	6	ChEMBL_304049 (CHEMBL840226)	Binding affinity towards human dopamine receptor D2 expressed in CHO cells using the radioligand [125I]iodosulpiride
50003699	7	ChEMBL_304066 (CHEMBL839741)	Binding affinity towards human 5-hydroxytryptamine receptor 2A expressed in HEK 293 cells using the radioligand [3H]ketanserin
50003699	8	ChEMBL_304056 (CHEMBL839732)	Binding affinity towards human 5-hydroxytryptamine receptor 7 expressed in HEK 293 cells using the radioligand [3H]5-CT
50003699	9	ChEMBL_304058 (CHEMBL839733)	Binding affinity towards human 5-hydroxytryptamine receptor 1F expressed in HEK 293 cells using the radioligand [3H]5-HT
50003699	10	ChEMBL_304045 (CHEMBL840222)	Binding affinity towards human serotonin transporter expressed in LLCPK cells using the radioligand [3H]citalopram
50003699	11	ChEMBL_304050 (CHEMBL840227)	Binding affinity towards human dopamine receptor D3 expressed in CHO cells using the radioligand [125I]iodosulpiride
50003699	12	ChEMBL_304054 (CHEMBL839352)	Binding affinity towards human 5-hydroxytryptamine receptor 1D expressed in CHO cells using the radioligand [3H]5-HT
50003699	13	ChEMBL_304053 (CHEMBL840230)	Binding affinity towards human 5-hydroxytryptamine receptor 1B expressed in CHO cells using the radioligand [3H]5-HT
50003699	14	ChEMBL_304051 (CHEMBL840228)	Binding affinity towards human dopamine receptor D4 expressed in CHO cells using the radioligand [125I]iodosulpiride
50003699	15	ChEMBL_304059 (CHEMBL839734)	Binding affinity towards human 5-hydroxytryptamine receptor 2B expressed in HEK 293 cells using the radioligand [3H]5-HT
50003699	16	ChEMBL_304057 (CHEMBL877111)	Binding affinity towards human 5-hydroxytryptamine receptor 1E expressed in HEK 293 cells using the radioligand [3H]5-HT
50003700	1	ChEMBL_304599 (CHEMBL828487)	Inhibitory concentration against histone deacetylase of HeLa cells
50003702	1	ChEMBL_307254 (CHEMBL829160)	Inhibitory concentration against Glycogen synthase kinase-3
50003703	1	ChEMBL_304067 (CHEMBL839742)	Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
50003703	2	ChEMBL_304046 (CHEMBL840223)	Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
50003703	3	ChEMBL_304080 (CHEMBL852184)	Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
50003704	1	ChEMBL_304035 (CHEMBL840213)	Inhibitory constant value against the 5-hydroxytryptamine 1A receptor
50003704	2	ChEMBL_304033 (CHEMBL840211)	Inhibitory constant value against 5-hydroxytryptamine 1A receptor
50003706	1	ChEMBL_305938 (CHEMBL833485)	Inhibitory concentration against the Glycogen synthase kinase-3 
50003706	2	ChEMBL_312789 (CHEMBL833438)	Inhibitory concentration to inhibit Ser396 phosphorylation of tau, a natural substrate of GSK-3 in SY5Y cells
50003707	1	ChEMBL_312835 (CHEMBL837922)	Inhibitory concentration to inhibit the PGPH activity of 20S proteasome prepared from human leukemia HL-60 cells was determined
50003707	2	ChEMBL_312921 (CHEMBL874816)	Inhibitory concentration to inhibit chymotrypsin-like activity of 20S proteasome prepared from human leukemia HL-60 cells was determined
50003707	3	ChEMBL_312755 (CHEMBL834792)	Inhibitory concentration to inhibit trypsin-like activity of 20S proteasome from human leukemia HL-60 cells was determined
50003708	1	ChEMBL_305315 (CHEMBL876995)	In vitro inhibitory concentration against Histone deacetylase; Control value 0.06 uM
50003709	1	ChEMBL_304028 (CHEMBL840206)	Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells
50003709	2	ChEMBL_304031 (CHEMBL840209)	Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells
50003710	1	ChEMBL_306653 (CHEMBL832990)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3a
50003710	2	ChEMBL_305873 (CHEMBL831917)	Inhibitory activity against rat liver Histone deacetylase with substrate 5b
50003710	3	ChEMBL_305872 (CHEMBL831916)	Inhibitory activity against rat liver Histone deacetylase with substrate 3b
50003710	4	ChEMBL_305871 (CHEMBL831915)	Inhibitory activity against rat liver Histone deacetylase with substrate 3a
50003710	5	ChEMBL_306475 (CHEMBL829553)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3b
50003710	6	ChEMBL_306655 (CHEMBL832992)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5a
50003710	7	ChEMBL_306654 (CHEMBL832991)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 3b
50003710	8	ChEMBL_306694 (CHEMBL830851)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 12a
50003710	9	ChEMBL_306680 (CHEMBL830014)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5b
50003710	10	ChEMBL_306693 (CHEMBL830850)	Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a
50003710	11	ChEMBL_306476 (CHEMBL829554)	Inhibitory concentration against rat liver histone deacetylase (HDAC) with substrate 5a
50003710	12	ChEMBL_306681 (CHEMBL830015)	Inhibition concentration required to inhibit rat liver histone deacetylase (HDAC) in the presence of compound 5e as a substrate
50003710	13	ChEMBL_306781 (CHEMBL831536)	Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a
50003711	1	ChEMBL_312805 (CHEMBL837765)	Inhibition of Mycobacterium tuberculosis UDP-galactose mutase expressed in Escherichia coli UDP-6 [3H]- Galf
50003712	1	ChEMBL_313055 (CHEMBL835746)	Inhibition of vascular endothelial growth factor (VEGF)-stimulated human umbilical vein endothelial cell proliferation
50003713	1	ChEMBL_312257 (CHEMBL837257)	Inhibition of estrogen receptor positive human breast carcinoma (MCF-7) cell proliferation
50003713	2	ChEMBL_303457 (CHEMBL839717)	Binding affinity for estrogen receptor of human breast carcinoma (MCF-7) cell line; 828 +/- 106 uM
50003713	3	ChEMBL_303208 (CHEMBL829834)	Binding affinity for estrogen receptor of human breast carcinoma (MCF-7) cell line
50003714	1	ChEMBL_304073 (CHEMBL838507)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells
50003714	2	ChEMBL_304062 (CHEMBL839737)	Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes
50003714	3	ChEMBL_304072 (CHEMBL839747)	Displacement of [3H]5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells
50003714	4	ChEMBL_304075 (CHEMBL852179)	Displacement of [3H]WAY-100635 from human 5-hydroxytryptamine 1A receptor expressed in CHO cells
50003714	5	ChEMBL_304002 (CHEMBL838641)	Binding affinity for human dopamine receptor D4
50003714	6	ChEMBL_304001 (CHEMBL838640)	Binding affinity for human dopamine receptor D3
50003714	7	ChEMBL_304012 (CHEMBL840095)	Binding affinity for human beta-2 adrenergic receptor 
50003714	8	ChEMBL_304025 (CHEMBL840203)	Binding affinity for human 5-hydroxytryptamine 2B receptor 
50003714	9	ChEMBL_304019 (CHEMBL840197)	Binding affinity for human 5-hydroxytryptamine 7 receptor 
50003714	10	ChEMBL_304022 (CHEMBL840200)	Binding affinity for human 5-hydroxytryptamine 1E receptor 
50003714	11	ChEMBL_304018 (CHEMBL840101)	Binding affinity for human 5-hydroxytryptamine 6 receptor 
50003714	12	ChEMBL_304013 (CHEMBL840096)	Binding affinity for human alpha-1B adrenergic receptor 
50003714	13	ChEMBL_304023 (CHEMBL840201)	Binding affinity for human 5-hydroxytryptamine 1F receptor 
50003714	14	ChEMBL_304026 (CHEMBL840204)	Binding affinity for human 5-hydroxytryptamine 2C receptor 
50003714	15	ChEMBL_304027 (CHEMBL840205)	Binding affinity for human 5-hydroxytryptamine 5A receptor 
50003714	16	ChEMBL_304024 (CHEMBL840202)	Binding affinity for human 5-hydroxytryptamine 2A receptor 
50003714	17	ChEMBL_304017 (CHEMBL840100)	Binding affinity for human 5-hydroxytryptamine 4 receptor 
50003714	18	ChEMBL_304000 (CHEMBL838639)	Binding affinity for human dopamine receptor D2
50003715	1	ChEMBL_305644 (CHEMBL829503)	In vitro inhibition of bovine smooth muscle phosphodiesterase 4
50003717	1	ChEMBL_304060 (CHEMBL839735)	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells
50003717	2	ChEMBL_304083 (CHEMBL838521)	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells
50003717	3	ChEMBL_304084 (CHEMBL838522)	Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1B (MT2) expressed in NIH3T3 rat fibroblast cells 
50003718	1	ChEMBL_312518 (CHEMBL833397)	Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells
50003719	1	ChEMBL_306207 (CHEMBL830165)	Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel of rat cortex
50003719	2	ChEMBL_303540 (CHEMBL839653)	Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel of rat cortex
50003720	1	ChEMBL_303705 (CHEMBL829040)	Displacement of [3H]epibatidine from Alpha3 Beta4 Nicotinic acetylcholine receptor of rat brain homogenates
50003720	2	ChEMBL_304157 (CHEMBL829996)	Effective concentration against alpha3-beta4 Nicotinic acetylcholine receptor (nAChR)
50003720	3	ChEMBL_304220 (CHEMBL828936)	Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor expressed in IMR32 cell
50003720	4	ChEMBL_304286 (CHEMBL829887)	Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor (nAChR) expressed in Xenopus oocytes
50003720	5	ChEMBL_303683 (CHEMBL830443)	Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates
50003720	6	ChEMBL_304254 (CHEMBL829725)	Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor (nAChR) expressed in IMR32 cell 
50003720	7	ChEMBL_304253 (CHEMBL829724)	Effective concentration against alpha3-beta4 nicotinic acetylcholine receptor (nAChR) expressed in IMR32 cell 
50003721	1	ChEMBL_304947 (CHEMBL826975)	Inhibition of supercoiling activity of DNA gyrase from Staphylococcus aureus ISP 794
50003721	2	ChEMBL_305812 (CHEMBL829465)	Inhibition of supercoiling activity of topoisomerase IV from Staphylococcus aureus ISP 794; Range = 2.5-5 ug/mL
50003721	3	ChEMBL_305612 (CHEMBL828150)	Inhibition of supercoiling activity of DNA gyrase from Staphylococcus aureus ISP 794; Range = 2.5-5 ug/mL
50003721	4	ChEMBL_305172 (CHEMBL876145)	Inhibition of supercoiling activity of topoisomerase IV from Staphylococcus aureus ISP 794
50003722	1	ChEMBL_303910 (CHEMBL828335)	In vitro apparent inhibition constant against Escherichia coli RecA protein
50003723	1	ChEMBL_306888 (CHEMBL828694)	In vitro inhibitory concentration against histone deacetylase of DU-145 prostate cell nuclear extract as deacetylation of biotinylated [3H]-acetyl histone H4 peptide
50003724	1	ChEMBL_304904 (CHEMBL829382)	Inhibitory concentration against human histone deacetylase
50003725	1	ChEMBL_303911 (CHEMBL828336)	Association constant for [3H]CCPA binding to Adenosine A1 receptor in the presence of compound
50003725	2	ChEMBL_303912 (CHEMBL828337)	Association constant for [3H]CCPA binding to Adenosine A1 receptor in the presence of compound
50003725	3	ChEMBL_306961 (CHEMBL826905)	Dissociation constant for [3H]-CCPA binding to Adenosine A1 receptor in the presence of compound
50003726	1	ChEMBL_302825 (CHEMBL839614)	Inhibition of Glycogen synthase kinase-3
50003727	1	ChEMBL_304043 (CHEMBL877110)	Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate
50003728	1	ChEMBL_306385 (CHEMBL828726)	Inhibitory concentration against purified human fatty acid synthase activity in ZR-75-1 breast cancer cells
50003729	1	ChEMBL_304076 (CHEMBL852180)	Receptor binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells
50003729	2	ChEMBL_307241 (CHEMBL829148)	Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)
50003729	3	ChEMBL_313611 (CHEMBL835018)	Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)
50003729	4	ChEMBL_304069 (CHEMBL839744)	Binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cells
50003729	5	ChEMBL_313609 (CHEMBL835016)	Inhibition of electrically evoked contraction of mouse vas deferens
50003729	6	ChEMBL_313607 (CHEMBL835014)	Inhibition of electrically evoked contraction of guinea pig ileum
50003729	7	ChEMBL_313610 (CHEMBL835017)	Inhibition of electrically evoked contraction of mouse vas deferens
50003729	8	ChEMBL_307240 (CHEMBL829147)	Agonist potency against GTPgammaS binding in CHO cell membranes expressing human NOP receptor (CHOhNOP) 
50003729	9	ChEMBL_307242 (CHEMBL829149)	Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP) at 1 uM
50003730	1	ChEMBL_304336 (CHEMBL839763)	Agonist activity against rat Opioid receptor mu 1 expressed in C6 cells in [35S]-GTP-gamma S binding assay 
50003730	2	ChEMBL_303324 (CHEMBL840049)	Inhibition of [3H]diprenorphine binding to rat Opioid receptor delta 1 expressed in C6 cells
50003730	3	ChEMBL_303356 (CHEMBL838691)	Inhibition of [3H]diprenorphine binding to human opioid receptor kappa 1 expressed in CHO cells
50003730	4	ChEMBL_303266 (CHEMBL828260)	Inhibition of [3H]diprenorphine binding to rat Opioid receptor mu 1 expressed in C6 cells
50003730	5	ChEMBL_304352 (CHEMBL839781)	Agonist activity against human Opioid receptor kappa 1 expressed in CHO cells in [35S]-GTP-gamma S binding assay 
50003731	1	ChEMBL_313606 (CHEMBL826108)	Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells expressing human H3 receptor
50003731	2	ChEMBL_304041 (CHEMBL840219)	Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor
50003731	3	ChEMBL_304064 (CHEMBL839739)	Displacement of [125I]aminopotentidine binding to CHO cell membranes expressing human histamine H2 receptor
50003731	4	ChEMBL_304042 (CHEMBL840220)	Displacement of [3H]histamine binding to SK-N-MC cell membranes expressing human histamine H4 receptor
50003731	5	ChEMBL_304063 (CHEMBL839738)	Displacement of [3H]mepyramine binding to COS-7 cell membranes expressing human histamine H1 receptor
50003732	1	ChEMBL_313633 (CHEMBL835777)	pIC50 for 1 nM estradiol-induced Ishikawa cell proliferation
50003732	2	ChEMBL_304021 (CHEMBL840199)	Binding affinity for human estrogen receptor alpha
50003732	3	ChEMBL_304015 (CHEMBL840098)	Binding affinity for human estrogen receptor beta
50003732	4	ChEMBL_304020 (CHEMBL840198)	Binding affinity for human estrogen receptor beta
50003733	1	ChEMBL_307324 (CHEMBL835062)	Binding affinity towards human serum albumin
50003734	1	ChEMBL_305360 (CHEMBL832740)	Inhibitory concentration against DNA gyrase of Staphylococcus aureus
50003735	1	ChEMBL_321403 (CHEMBL880638)	Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli
50003735	2	ChEMBL_321397 (CHEMBL880632)	Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli
50003736	1	ChEMBL_320958 (CHEMBL885365)	Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 using [3H]S-(-)-nicotine
50003737	1	ChEMBL_320940 (CHEMBL882459)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine
50003737	2	ChEMBL_320938 (CHEMBL882457)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine
50003737	3	ChEMBL_320936 (CHEMBL882455)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine
50003737	4	ChEMBL_320941 (CHEMBL882460)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 using 0.5 nM [3H]epibatidine
50003737	5	ChEMBL_320939 (CHEMBL882458)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 using 0.5 nM [3H]epibatidine
50003737	6	ChEMBL_320937 (CHEMBL882456)	In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine
50003739	1	ChEMBL_321066 (CHEMBL872149)	Binding affinity against cloned human 5-hydroxytryptamine 1B receptor
50003739	2	ChEMBL_321067 (CHEMBL872150)	Binding affinity against cloned human 5-hydroxytryptamine 1D receptor
50003739	3	ChEMBL_321065 (CHEMBL872148)	Binding affinity against cloned human 5-hydroxytryptamine 1A receptor
50003741	1	ChEMBL_322326 (CHEMBL873499)	Inhibitory activity against tubulin using tubulin polymerization assay
50003743	1	ChEMBL_321674 (CHEMBL872169)	Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle
50003744	1	ChEMBL_321083 (CHEMBL872163)	Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells
50003744	2	ChEMBL_322064 (CHEMBL871772)	Binding affinity against 5-hydroxytryptamine 6 receptor of rat striatum
50003744	3	ChEMBL_322065 (CHEMBL871773)	Binding affinity against 5-hydroxytryptamine 6 receptor of human caudate
50003745	1	ChEMBL_321426 (CHEMBL881957)	Inhibitory concentration against human Vascular endothelial growth factor receptor 2
50003746	1	ChEMBL_321313 (CHEMBL881409)	Inhibitory activity against Sortase A from Staphylococcus aureus
50003747	1	ChEMBL_321437 (CHEMBL880245)	In vitro inhibitory concentration against Histone deacetylase (HDAC) at 1 uM concentration
50003748	1	ChEMBL_321004 (CHEMBL872289)	Binding affinity towards mouse spleen cannabinoid receptor 2 in the presence of PMSF upon incubation for 15 min at 4 degree C in pH 7.4 using [3H]CP-55940
50003748	2	ChEMBL_321000 (CHEMBL872285)	Binding affinity towards rat brain cannabinoid receptor 1 in the presence of PMSF upon incubation for 15 min at 4 degree C in pH 7.4 using [3H]CP-55940
50003749	1	ChEMBL_321078 (CHEMBL872158)	Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor
50003749	2	ChEMBL_321079 (CHEMBL872159)	Inhibition of 20 pM [125I]BH-CCK-8S binding to guinea pig pancreas membrane Cholecystokinin 1 receptor
50003750	1	ChEMBL_326476 (CHEMBL864468)	Transcriptional activity against RARbeta2
50003750	2	ChEMBL_326477 (CHEMBL864469)	Transcriptional activity against RARbeta1
50003751	1	ChEMBL_326683 (CHEMBL868699)	Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from cloned human 5HT1A receptor expressed in HeLa cells
50003751	2	ChEMBL_326681 (CHEMBL868697)	Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells
50003751	3	ChEMBL_326680 (CHEMBL868696)	Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells
50003751	4	ChEMBL_326682 (CHEMBL868698)	Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells
50003752	1	ChEMBL_326923 (CHEMBL854312)	Inhibition of porcine brain tubulin polymerization by GTP-induced assembly
50003753	1	ChEMBL_326974 (CHEMBL859775)	Binding affinity to PTP1B
50003754	1	ChEMBL_327124 (CHEMBL864630)	Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor
50003755	1	ChEMBL_327334 (CHEMBL865149)	Inhibition of HDAC in rat liver homogenate
50003755	2	ChEMBL_327335 (CHEMBL865150)	Inhibition of HDAC in human leukemic CEM cells
50003756	1	ChEMBL_328243 (CHEMBL869434)	Inhibition of p53-HDM2 interaction
50003757	1	ChEMBL_328364 (CHEMBL864562)	Binding potency at human S1P3 receptor by [35S]GTP-gamma-S binding assay
50003757	2	ChEMBL_328368 (CHEMBL864567)	Binding potency at human S1P5 receptor by [35S]GTP-gamma-S binding assay
50003757	3	ChEMBL_328366 (CHEMBL864565)	Binding potency at human S1P4 receptor by [35S]GTP-gamma-S binding assay
50003757	4	ChEMBL_328362 (CHEMBL864561)	Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
50003758	1	ChEMBL_328935 (CHEMBL859885)	Inhibitory activity against MurB in Escherichia coli
50003758	2	ChEMBL_328934 (CHEMBL859884)	Inhibitory activity against MurA in Escherichia coli
50003758	3	ChEMBL_328936 (CHEMBL859886)	Inhibitory activity against MurC in Escherichia coli
50003758	4	ChEMBL_328939 (CHEMBL859889)	Inhibitory activity against MurC in Staphylococcus aureus
50003758	5	ChEMBL_328937 (CHEMBL859887)	Inhibitory activity against MurD in Escherichia coli
50003758	6	ChEMBL_328940 (CHEMBL859890)	Inhibitory activity against MurD in Staphylococcus aureus
50003758	7	ChEMBL_328938 (CHEMBL859888)	Inhibitory activity against MurA in Staphylococcus aureus
50003759	1	ChEMBL_329671 (CHEMBL864631)	Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase
50003760	1	ChEMBL_333055 (CHEMBL853602)	Agonist activity at histamine H1 receptor in guinea pig ileum
50003761	1	ChEMBL_333290 (CHEMBL859107)	Agonistic activity at GPR109b by cAMP whole cell assay
50003762	1	ChEMBL_333794 (CHEMBL864734)	Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by Magnus method
50003762	2	ChEMBL_333793 (CHEMBL864733)	Inhibitory activity against N-type calcium channel by calcium influx into IMR32 cells
50003763	1	ChEMBL_337455 (CHEMBL862219)	Binding affinity to cloned human muscarinic M1 receptor expressed in CHO cells
50003763	2	ChEMBL_337458 (CHEMBL862222)	Binding affinity to cloned human muscarinic M4 receptor expressed in CHO cells
50003763	3	ChEMBL_337456 (CHEMBL862220)	Binding affinity to cloned human muscarinic M2 receptor expressed in CHO cells
50003763	4	ChEMBL_337457 (CHEMBL862221)	Binding affinity to cloned human muscarinic M3 receptor expressed in CHO cells
50003763	5	ChEMBL_337469 (CHEMBL861436)	Binding affinity to cloned human muscarinic M5 receptor expressed in CHO cells
50003764	1	ChEMBL_340034 (CHEMBL861245)	Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes buffer
50003764	2	ChEMBL_340035 (CHEMBL862030)	Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in hepes buffer
50003764	3	ChEMBL_340033 (CHEMBL861240)	Inhibition of [3H]NMS dissociation from muscarinic M2 receptor in Na,K,Pi buffer
50003765	1	ChEMBL_340152 (CHEMBL865587)	Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells
50003765	2	ChEMBL_340153 (CHEMBL865588)	Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells
50003765	3	ChEMBL_340154 (CHEMBL865589)	Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells
50003765	4	ChEMBL_340158 (CHEMBL865593)	Displacement of [3H]prazosin from alpha-1 adrenergic receptor in rat cortex
50003765	5	ChEMBL_340157 (CHEMBL865592)	Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells
50003765	6	ChEMBL_340159 (CHEMBL865594)	Displacement of [35S]-labeled MK-499 from cloned human ERG receptor expressed in HEK cells
50003765	7	ChEMBL_340156 (CHEMBL865591)	Displacement of [3H]5-HT from the cloned human 5-HT1B receptor expressed in CHO cells
50003766	1	ChEMBL_342488 (CHEMBL861584)	Activity against human urotensin-2 receptor expressed in NIH3T3 cells
50019161	2	ChEMBL_2306820	Displacement of [125I]alpha-Bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membrane assessed as inhibition constant by direct gamma counting method
50019161	3	ChEMBL_2306821	Displacement of [3H]-Epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by beta counter method
50019161	4	ChEMBL_2306822	Antagonist activity at chicken alpha7 nAChR expressed in Xenopus laevis oocytes
50019161	5	ChEMBL_2306823	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes
50019161	6	ChEMBL_2306824	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes
50019161	7	ChEMBL_2306825	Antagonist activity at human alpha7 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as peak currents treated for 1 sec at holding potential of -70 mV by two electrode voltage-clamp assay
50019161	8	ChEMBL_2306826	Antagonist activity at human alpha7 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as AUC treated for 1 sec at holding potential of -70 mV by two electrode voltage-clamp assay
50019161	9	ChEMBL_2306827	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes treated for 1 sec at holding potential of -70 mV by two electrode voltage-clamp assay
50019162	1	ChEMBL_2306841	Inhibition of soluble C-terminal 6His-tagged recombinant human CD73 (27 to 547 residues) expressed in CHO cells incubated for 1 hr by malachite green based spectrophotometer assay
50019162	2	ChEMBL_2306842	Inhibition of cell surface anchored CD73 (unknown origin) expressed in human SK-MEL-28 cells incubated for 30 mins by malachite green assay
50019162	3	ChEMBL_2306843	Inhibition of CD73 in human plasma incubated for 15 mins in presence of 15N5-AMP by LC/MS analysis
50003768	1	ChEMBL_345443 (CHEMBL861170)	Inhibition of FTase
50003769	1	ChEMBL_345519 (CHEMBL861844)	Agonist potency at human GPR40 expressed in CHO cells
50003770	1	ChEMBL_348736 (CHEMBL866878)	Potency at CB1 receptor in rat brain by [35S]GTP-gamma-S binding assay
50003771	1	ChEMBL_352133 (CHEMBL861084)	Displacement of [3H]epibatidine from rat alpha-3-beta-2 nACHR expressed in human HEK293 cells at 10 uM
50003771	2	ChEMBL_352124 (CHEMBL867842)	Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR
50003771	3	ChEMBL_352135 (CHEMBL861086)	Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells at 10 uM
50003771	4	ChEMBL_352119 (CHEMBL868992)	Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells
50003771	5	ChEMBL_352123 (CHEMBL867841)	Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells
50003771	6	ChEMBL_352126 (CHEMBL866893)	Agonist activity at rat alpha3beta4 nACHR expressed in human HEK293 cells by rubidium efflux assay
50003771	7	ChEMBL_352134 (CHEMBL861085)	Displacement of [3H]epibatidine from rat alpha-3-beta-4 nACHR expressed in human HEK293 cells at 10 uM
50003771	8	ChEMBL_352131 (CHEMBL861082)	Displacement of [3H]epibatidine from rat alpha2beta2 nACHR expressed in human HEK293 cells at 10 uM
50003771	9	ChEMBL_352122 (CHEMBL867840)	Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells
50003771	10	ChEMBL_352136 (CHEMBL861087)	Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells at 10 uM
50003771	11	ChEMBL_352120 (CHEMBL867838)	Displacement of [3H]epibatidine from rat alpha-3-beta-2 nACHR expressed in human HEK293 cells
50003771	12	ChEMBL_352118 (CHEMBL868991)	Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells
50003771	13	ChEMBL_352132 (CHEMBL861083)	Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells at 10 uM
50003771	14	ChEMBL_352121 (CHEMBL867839)	Displacement of [3H]epibatidine from rat alpha3beta4 nACHR expressed in human HEK293 cells
50003771	15	ChEMBL_352128 (CHEMBL867845)	Agonist activity at rat alpha-4-beta-2 nACHR by rubidium efflux assay
50003772	1	ChEMBL_358724 (CHEMBL870196)	Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane
50003773	1	ChEMBL_366745 (CHEMBL865947)	Inhibition of CYP1A1 by EROD assay
50003774	1	ChEMBL_366794 (CHEMBL866004)	Agonist like activity at skeletal junction sarcoplasmic reticulum RyR1/FKBP12 complex assessed as increase in [3H]ryanodine binding
50003775	1	ChEMBL_367404 (CHEMBL866615)	Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay
50003776	1	ChEMBL_371466 (CHEMBL864183)	Displacement of [3H]progesterone from Progesterone receptor
50003777	1	ChEMBL_378975 (CHEMBL863603)	Inhibition of p38
50003778	1	ChEMBL_385287 (CHEMBL869182)	Inhibition of [3H]diltiazem binding to Sprague-Dawley rat cardiomyocytes
50003779	1	ChEMBL_385814 (CHEMBL870338)	Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells
50003779	2	ChEMBL_385815 (CHEMBL870339)	Displacement of [3H]RAMHA from histamine H3 receptor in rat brain membranes
50003780	1	ChEMBL_386169 (CHEMBL871474)	Activity against LFES-evoked contraction of Wistar rat vas deferens in presence of naloxone
50003780	2	ChEMBL_386167 (CHEMBL871472)	Activity against LFES-evoked contraction of Wistar rat vas deferens
50003781	1	ChEMBL_386990 (CHEMBL862961)	Inhibition of mast cell tryptase
50003782	1	ChEMBL_387141 (CHEMBL863043)	Inhibition of HeLa cell HDAC
50003783	1	ChEMBL_388188 (CHEMBL865448)	Inhibition of bovine brain mitochondrial MAOB
50003783	2	ChEMBL_388187 (CHEMBL865447)	Inhibition of bovine brain mitochondrial MAOA
50003784	1	ChEMBL_391663 (CHEMBL871552)	Inhibition of human ACE C domain
50003784	2	ChEMBL_391665 (CHEMBL871554)	Inhibition of human ACE K1087A mutant
50003784	3	ChEMBL_391664 (CHEMBL871553)	Inhibition of human ACE Y1096F mutant
50003785	1	ChEMBL_397004 (CHEMBL862463)	Inhibition of tubulin polymerization in porcine brain
50003786	1	ChEMBL_400021 (CHEMBL910863)	Inhibition of MAP containing bovine brain tubulin polymerization
50003787	1	ChEMBL_402584 (CHEMBL906920)	Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells
50003787	2	ChEMBL_402581 (CHEMBL906917)	Binding affinity to 5HT2C receptor
50003788	1	ChEMBL_402702 (CHEMBL908624)	Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells
50003789	1	ChEMBL_407556 (CHEMBL907116)	Agonist activity at human histamine H3 receptor in SK-N-MC cells assessed as inhibition of forskolin-induced cAMP-mediated CRE-beta galactosidase activity
50003789	2	ChEMBL_407552 (CHEMBL855020)	Displacement of [3H]histamine from human histamine H4 receptor
50003789	3	ChEMBL_407553 (CHEMBL907727)	Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells
50003789	4	ChEMBL_407554 (CHEMBL907109)	Agonist activity at human histamine H4 receptor in SK-N-MC cells assessed as inhibition of forskolin-induced cAMP-mediated CRE-beta galactosidase activity
50003790	1	ChEMBL_408655 (CHEMBL908284)	Displacement of [3H]nisoxetine from human NET in COS7 cells
50003791	1	ChEMBL_410133 (CHEMBL908895)	Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay
50003791	2	ChEMBL_410136 (CHEMBL908306)	Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction
50003791	3	ChEMBL_410135 (CHEMBL908308)	Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor
50003792	1	ChEMBL_413038 (CHEMBL910641)	Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site
50003793	1	ChEMBL_422232 (CHEMBL856485)	Inhibition of PKA-mediated phosphorylation of kemptide at 100 uM
50003794	1	ChEMBL_422361 (CHEMBL908737)	Inhibition of p38
50003796	1	ChEMBL_422811 (CHEMBL856530)	Inhibition of tubulin polymerization in porcine brain
50003797	1	ChEMBL_423086 (CHEMBL910471)	Inhibition of Escherichia coli FPPS
50003797	2	ChEMBL_423083 (CHEMBL910465)	Inhibition of Escherichia coli DXR
50003798	1	ChEMBL_423344 (CHEMBL855454)	Inhibition of voltage-gated potassium channel
50003799	1	ChEMBL_423435 (CHEMBL909394)	Inhibition of TPA-induced ornithine decarboxylase expressed in T24 cells
50003801	1	ChEMBL_423489 (CHEMBL910511)	Inhibition of Staphylococcus aureus DNA gyrase by supercoiling assay
50003802	1	ChEMBL_424409 (CHEMBL910687)	Antibacterial activity against Streptococcus faecalis by broth microdilution technique
50003803	1	ChEMBL_425084 (CHEMBL913649)	Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cells
50003803	2	ChEMBL_425082 (CHEMBL912601)	Displacement of [125I]BE2254 from human cloned adrenergic alpha 1A receptor expressed in HEK293 cells
50003803	3	ChEMBL_425083 (CHEMBL912602)	Displacement of [125I]BE2254 from human cloned adrenergic alpha 1B receptor expressed in HEK293 cells
50003804	1	ChEMBL_425100 (CHEMBL913665)	Inhibition of human Cathepsin K
50003804	2	ChEMBL_425102 (CHEMBL913667)	Inhibition of human alpha-v-beta-3 integrin receptor by ELISA
50003804	3	ChEMBL_425101 (CHEMBL913666)	Inhibition of human MMP9 by quenched fluorescense assay
50003805	1	ChEMBL_425383 (CHEMBL909078)	Inhibition of human 20S proteasome
50003806	1	ChEMBL_425417 (CHEMBL908499)	Inhibition of bovine brain mitochondria MAOB
50003806	2	ChEMBL_425416 (CHEMBL908498)	Inhibition of bovine brain mitochondria MAOA
50003807	1	ChEMBL_425999 (CHEMBL907458)	Displacement of [3H]OH-DPAT from rat cortex 5HT1A receptor
50003807	2	ChEMBL_426002 (CHEMBL907461)	Agonist activity at human 5HT1A receptor in HeLa cells assessed as stimulation of [35S]GTP-gamma-S binding
50003807	3	ChEMBL_426000 (CHEMBL907459)	Displacement of [3H]ketanserin from rat cortex 5HT2A receptor
50003807	4	ChEMBL_426001 (CHEMBL907460)	Displacement of [3H]YM-09151-2 from rat striatum D2 receptor
50003808	1	ChEMBL_427351 (CHEMBL909271)	Inhibition of reverse transcriptase activity in HIV1 NL4-3 infected MT4 cells before dialysis
50003808	2	ChEMBL_427350 (CHEMBL909270)	Inhibition of reverse transcriptase activity in HIV1 NL4-3 infected MT4 cells after dialysis
50003808	3	ChEMBL_427347 (CHEMBL909267)	Inhibition of reverse transcriptase activity in HIV1 infected HeLa-MAGI cells at 37 deg C after 48 hrs
50003809	1	ChEMBL_427529 (CHEMBL912179)	Inhibition of HIV1 reverse transcriptase
50003810	1	ChEMBL_428451 (CHEMBL918952)	Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes
50003810	2	ChEMBL_428450 (CHEMBL918951)	Displacement of [125I]SRIF-14 from SSTR of rat AR42J cell membranes
50003812	1	ChEMBL_429548 (CHEMBL918089)	Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in CHO cells
50003812	2	ChEMBL_429543 (CHEMBL918084)	Agonist activity at human adrenergic alpha-2C receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50003812	3	ChEMBL_429551 (CHEMBL918092)	Agonist activity at human adrenergic alpha-2A receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50003812	4	ChEMBL_429549 (CHEMBL918090)	Agonist activity at human adrenergic alpha-2A receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50003812	5	ChEMBL_429553 (CHEMBL919551)	Binding affinity to imidazoline receptor 1
50003812	6	ChEMBL_429545 (CHEMBL918086)	Displacement of [3H]RX821002 from human adrenergic alpha-2B receptor expressed in CHO cells
50003812	7	ChEMBL_429546 (CHEMBL918087)	Agonist activity at human adrenergic alpha-2B receptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry
50003812	8	ChEMBL_429542 (CHEMBL918083)	Displacement of [3H]RX821002 from human adrenergic Alpha-2C receptor expressed in CHO cells
50003812	9	ChEMBL_429552 (CHEMBL919550)	Agonist activity at human adrenergic Alpha-2C receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation
50003812	10	ChEMBL_429554 (CHEMBL919552)	Binding affinity to imidazoline receptor 2
50003813	1	ChEMBL_429826 (CHEMBL915407)	Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cerebral cortex synaptosomal membranes
50003814	1	ChEMBL_430368 (CHEMBL914873)	Inhibition of Escherichia coli PDF
50003818	1	ChEMBL_430371 (CHEMBL914876)	Agonist activity at alpha-3-beta-4 nAChR in KXalpha-3-beta-4R2 cells by rubidium efflux assay
50003819	1	ChEMBL_430647 (CHEMBL918156)	Displacement of [125I][MePhe7]NKB from human NK3 receptor expressed in CHOK1 cells
50003819	2	ChEMBL_430641 (CHEMBL918150)	Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells
50003819	3	ChEMBL_430646 (CHEMBL918155)	Displacement of [3H][Sar9]SP sulfone from human NK1 receptor expressed in U373MG cells
50003820	1	ChEMBL_430780 (CHEMBL920036)	Agonist activity at human CB2 receptor transfected in CHO cells by [35]GTPgamma binding assay
50003821	1	ChEMBL_431214 (CHEMBL919126)	Inhibition of PFOR Campylobacter jejuni
50003822	1	ChEMBL_432185 (CHEMBL904413)	Decrease in [3H]5-HT uptake at human SERT W103C mutant transfected in HEK293 cells
50003822	2	ChEMBL_432184 (CHEMBL904412)	Decrease in [3H]5-HT uptake at human SERT G498C mutant transfected in HEK293 cells
50003822	3	ChEMBL_432183 (CHEMBL920123)	Inhibition of [3H]5-HT uptake at human SERT C109A mutant transfected in HEK cells
50003823	1	ChEMBL_432434 (CHEMBL917429)	Agonist activity at human muscarinic M2 receptor expressed in CHO cells
50003823	2	ChEMBL_432436 (CHEMBL917431)	Agonist activity at human muscarinic M4 receptor expressed in CHO cells
50003823	3	ChEMBL_432437 (CHEMBL917432)	Agonist activity at human muscarinic M5 receptor expressed in CHO cells
50003823	4	ChEMBL_432435 (CHEMBL917430)	Agonist activity at human muscarinic M3 receptor expressed in CHO cells
50003823	5	ChEMBL_432433 (CHEMBL917428)	Agonist activity at human muscarinic M1 receptor expressed in CHO cells
50003824	1	ChEMBL_434378 (CHEMBL919856)	Inhibition of mitogen-activated protein kinase p38 at 100 uM ATP
50003824	2	ChEMBL_434379 (CHEMBL919857)	Inhibition of mitogen-activated protein kinase p38 at 2 uM ATP
50003825	1	ChEMBL_434380 (CHEMBL919858)	Displacement of [15I]IMPY from Abeta peptide plaques in Alzheimer's disease patient brain
50003826	1	ChEMBL_434784 (CHEMBL917012)	Inhibition of Tat-mediated transcription of viral promoter in 293 T cells transfected with HIV1 tat by luciferase reporter gene assay
50003827	1	ChEMBL_434822 (CHEMBL918464)	Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates
50003828	1	ChEMBL_435034 (CHEMBL913151)	Inhibition of human placental DPP4 at pH 2
50003828	2	ChEMBL_435035 (CHEMBL913152)	Inhibition of human placental DPP4 at pH 8
50003828	3	ChEMBL_435033 (CHEMBL913150)	Inhibition of human placental DPP4
50003830	1	ChEMBL_435197 (CHEMBL904581)	Agonist activity at human urotensin-2 receptor transfected in NIH3T3 cells after 5 days by R-SAT assay
50003831	1	ChEMBL_435307 (CHEMBL903665)	Inhibition of HIV1 integrase strand transfer activity
50003831	2	ChEMBL_435306 (CHEMBL903664)	Inhibition of HIV1 integrase 3'-end processing activity
50003832	1	ChEMBL_436472 (CHEMBL904778)	Inhibition of HDAC in HeLa cells by fluorescent activity assay
50003833	1	ChEMBL_436734 (CHEMBL905040)	Inhibition of human platelet PDE3
50003834	1	ChEMBL_437168 (CHEMBL906565)	Inhibition of HIV1 reverse transcriptase
50003835	1	ChEMBL_439348 (CHEMBL887341)	Agonist activity at delta opioid receptor in mouse vas deferens
50003835	2	ChEMBL_439347 (CHEMBL887340)	Displacement of [3H]diprenorphine from kappa opioid receptor expressed in human HEK293 cells
50003835	3	ChEMBL_439349 (CHEMBL887342)	Agonist activity at mu opioid receptor in guinea pig ileum longitudinal muscle
50003835	4	ChEMBL_439350 (CHEMBL888461)	Ratio of IC50 of drug to naltrindole for delta opioid receptor in mouse vas deferens
50003835	5	ChEMBL_439345 (CHEMBL887338)	Displacement of [3H]diprenorphine from mu opioid receptor expressed in human HEK293 cells
50003835	6	ChEMBL_439346 (CHEMBL887339)	Displacement of [3H]diprenorphine from delta opioid receptor expressed in human HEK293 cells
50003836	1	ChEMBL_439353 (CHEMBL888467)	Inhibition of farnesyltransferase assessed as farnesylation of Dansyl-GCVLS peptide
50003837	1	ChEMBL_439842 (CHEMBL890163)	Inhibition of HIV1 recombinant reverse transcriptase
50003838	1	ChEMBL_439849 (CHEMBL890170)	Binding affinity at rat 5HT2A receptor
50003839	1	ChEMBL_439940 (CHEMBL890257)	Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay
50003839	2	ChEMBL_439941 (CHEMBL890258)	Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay
50003840	1	ChEMBL_440584 (CHEMBL888533)	Inhibition of HIV1 reverse transcriptase
50003840	2	ChEMBL_440585 (CHEMBL888534)	Inhibition of HIV1 integrase expressed in Escherichia coli BL21 (DE3)
50003842	3	ChEMBL_440642 (CHEMBL889736)	Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes
50003842	4	ChEMBL_440643 (CHEMBL889737)	Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes
50003842	2	ChEBML_440643	Antagonist activity at recombinant NR1/NR2B receptor expressed in Xenopus laevis oocytes
50003842	1	ChEBML_440642	Antagonist activity at recombinant NR1/NR2A receptor expressed in Xenopus laevis oocytes
50003843	1	ChEMBL_440752 (CHEMBL889849)	Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation
50003844	1	ChEMBL_440771 (CHEMBL889868)	Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells
50003844	2	ChEMBL_440773 (CHEMBL889870)	Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells
50003844	3	ChEMBL_440772 (CHEMBL889869)	Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells
50003846	1	ChEMBL_440796 (CHEMBL889893)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells
50003846	2	ChEMBL_440797 (CHEMBL889894)	Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293 cells
50003846	3	ChEMBL_440795 (CHEMBL889892)	Displacement of [3H]mesulergine from human 5HT2C receptor expressed in HEK293 cells
50003847	1	ChEMBL_440918 (CHEMBL890008)	Inhibition of MAPK p38
50003848	1	ChEMBL_440973 (CHEMBL890063)	Inhibition of HIV1 integrase strand transfer activity
50003849	1	ChEMBL_442098 (CHEMBL891236)	Inhibition of Influenza A virus type A H3N2 neuraminidase
50003850	1	ChEMBL_442219 (CHEMBL892378)	Binding affinity to muscarinic M2 receptor
50003850	2	ChEMBL_442218 (CHEMBL892377)	Binding affinity to muscarinic M1 receptor
50003851	1	ChEMBL_442251 (CHEMBL892410)	Displacement of [3H]PIB from beta amyloid in brain homogenate from Alzheimer's patient
50003852	1	ChEMBL_442408 (CHEMBL892570)	Inhibition of HDAC by fluorescent assay
50003854	1	ChEMBL_442660 (CHEMBL892829)	Inhibition of HIV1 reverse transcriptase using Poly rA.dT template
50003854	2	ChEMBL_442659 (CHEMBL892828)	Inhibition of HIV1 reverse transcriptase using Poly rC.dG template
50003855	1	ChEMBL_443632 (CHEMBL893891)	Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM dithiothreitol after 3 hrs pre-incubation
50003855	2	ChEMBL_443631 (CHEMBL893890)	Inhibition of Helicobacter pylori ATCC 43504 urease in presence of 0.4 mM 2-mercaptoethanol after 3 hrs pre-incubation
50003855	3	ChEMBL_443630 (CHEMBL893889)	Inhibition of Helicobacter pylori ATCC 43504 urease after 3 hrs pre-incubation
50003856	1	ChEMBL_444101 (CHEMBL893264)	Inhibition of recombinant HIV1 integrase expressed in Escherichia coli
50003858	1	ChEMBL_444217 (CHEMBL893371)	Displacement of [3H]LTB4 from LTB4 receptor in guinea pig spleen membrane
50003859	1	ChEMBL_444319 (CHEMBL894559)	Displacement of 2[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells
50003859	2	ChEMBL_444318 (CHEMBL894558)	Displacement of 2[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells
50003859	3	ChEMBL_444320 (CHEMBL893556)	Effect on pigment aggregation in Xenopus laevis melanophores
50003860	1	ChEMBL_445482 (CHEMBL894698)	Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex
50003860	2	ChEMBL_445483 (CHEMBL894699)	Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay
50003860	3	ChEMBL_445485 (CHEMBL894701)	Antagonist activity at human brain adrenergic alpha-2 receptor assessed as UK-14304-stimulated [35S]GTPgammaS binding at 10 uM
50003861	1	ChEMBL_445724 (CHEMBL896015)	Inhibition of HIV1 protease I84V mutant
50003861	2	ChEMBL_445720 (CHEMBL896011)	Inhibition of wild type HIV1 protease
50003861	3	ChEMBL_445721 (CHEMBL896012)	Inhibition of HIV1 protease D30N mutant
50003861	4	ChEMBL_445722 (CHEMBL896013)	Inhibition of HIV1 protease I50V mutant
50003861	5	ChEMBL_445723 (CHEMBL896014)	Inhibition of HIV1 protease V82A mutant
50003862	1	ChEMBL_445946 (CHEMBL896239)	Binding affinity to human beta amyloid plaque in alzheimer's disease patient brain
50003863	1	ChEMBL_445953 (CHEMBL896246)	Inhibition of protein farnesyltransferase
50003864	1	ChEMBL_446085 (CHEMBL895180)	Inhibition of HIV1 reverse transcriptase
50003865	1	ChEMBL_446119 (CHEMBL895214)	Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding
50003865	2	ChEMBL_446118 (CHEMBL895213)	Binding affinity to 5HT1A receptor in rat cortex membrane
50003866	1	ChEMBL_446257 (CHEMBL895361)	Displacement of [125I]neurokinin A from human recombinant NK2 receptor
50003867	1	ChEMBL_446339 (CHEMBL895449)	Blockade of SK channel in Wistar rat brain assessed as inhibition of apamin-sensitive after-hyperpolarisation
50003867	2	ChEMBL_446338 (CHEMBL895448)	Displacement of [125I]apamin from SK channel in Wistar rat cortex
50003868	1	ChEMBL_446487 (CHEMBL895599)	Inhibition of MEK in mouse colon 26 carcinoma cells assessed as inhibition of ERK phosphorylation by ELISA
50003868	2	ChEMBL_446486 (CHEMBL895598)	Inhibition of MEK assessed as inhibition of ERK phosphorylation by Raf-MEK-ERK cascade assay
50003869	1	ChEMBL_446510 (CHEMBL895622)	Displacement of [3H]DOI from 5HT2B receptor expressed in CHO cells
50003869	2	ChEMBL_446508 (CHEMBL895616)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells
50003869	3	ChEMBL_446511 (CHEMBL895623)	Displacement of [3H]mesulergine from 5HT2C receptor expressed in CHO cells
50003869	4	ChEMBL_446504 (CHEMBL895618)	Displacement of [3H]spiperone from human dopamine D2 receptor short form expressed in CHO cells
50003869	5	ChEMBL_446512 (CHEMBL895624)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells
50003869	6	ChEMBL_446517 (CHEMBL895629)	Displacement of [3H]4-DAMP from human M4 receptor expressed in CHO cells
50003869	7	ChEMBL_446520 (CHEMBL895632)	Displacement of [3H]pyrilamine from histaminergic H1 receptor guinea pig cerebellum
50003869	8	ChEMBL_446505 (CHEMBL895619)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells
50003869	9	ChEMBL_446519 (CHEMBL895631)	Displacement of [3H]RX 821002 from adrenergic alpha-2 receptor in rat cerebral cortex
50003869	10	ChEMBL_446513 (CHEMBL895625)	Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells
50003869	11	ChEMBL_446516 (CHEMBL895628)	Displacement of [3H]pirenzepine from human M1 receptor expressed in CHO cells
50003869	12	ChEMBL_446518 (CHEMBL895630)	Displacement of [3H]prazosin from adrenergic alpha1 receptor in rat cerebral cortex
50003869	13	ChEMBL_446507 (CHEMBL895620)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells
50003869	14	ChEMBL_446509 (CHEMBL895621)	Displacement of [3H]LSD from 5HT2B receptor expressed in CHO cells
50003869	15	ChEMBL_446506 (CHEMBL895617)	Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells
50003869	16	ChEMBL_446515 (CHEMBL895627)	Displacement of [3H]paraxetine from human 5HT transporter expressed in HEK293 cells
50003870	1	ChEMBL_447048 (CHEMBL897349)	Inhibition of RNA dependent DNA polymerase activity of HIV1 recombinant reverse transcriptase
50003872	1	ChEMBL_447367 (CHEMBL896392)	Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates
50003873	1	ChEMBL_447416 (CHEMBL896440)	Inhibition of gamma secretase in APP-transfected CHO cells
50003873	2	ChEMBL_447417 (CHEMBL896441)	Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes
50003873	3	ChEMBL_447424 (CHEMBL896442)	Inhibition of gamma secretase-mediated beta amyloid production in NIH3T3 cells
50003874	1	ChEMBL_447552 (CHEMBL896566)	Inhibition of HDAC in HeLa cells after 30 mins by fluorescent activity assay
50003874	2	ChEMBL_447553 (CHEMBL896567)	Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay
50003875	1	ChEMBL_447798 (CHEMBL896807)	Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay
50003875	2	ChEMBL_447797 (CHEMBL896806)	Inhibition of HIV1 reverse transcriptase by scintillation proximity assay
50003876	1	ChEMBL_447847 (CHEMBL898097)	Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA
50003878	1	ChEMBL_447975 (CHEMBL898227)	Inhibition of glucose 6 phosphate translocase 1
50003882	1	ChEMBL_448684 (CHEMBL896684)	Inhibition of porcine tubulin assembly
50003883	1	ChEMBL_448858 (CHEMBL898004)	Inhibition of HDAC in HeLa cells
50003884	1	ChEMBL_448962 (CHEMBL899225)	Inhibition of SrtA
50003886	1	ChEMBL_448966 (CHEMBL899229)	Inhibition of HIV1 integrase
50003887	1	ChEMBL_449039 (CHEMBL899297)	Inhibition of HIV1 integrase strand transfer activity
50003887	2	ChEMBL_449037 (CHEMBL899295)	Inhibition of HIV1 integrase by BioVeris assay
50003887	3	ChEMBL_449038 (CHEMBL899296)	Inhibition of HIV1 integrase 3' processing activity
50003888	1	ChEMBL_449237 (CHEMBL899499)	Inhibition of gamma secretase C100Flag cleavaging activity in HeLa cell membranes assessed as M-amyloid beta-40 production by cell free assay
50003888	2	ChEMBL_449238 (CHEMBL899500)	Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay
50003889	1	ChEMBL_449273 (CHEMBL899535)	Agonist activity at PAR2 expressed in human HT29 cells assessed as intracellular calcium release
50003890	1	ChEMBL_449514 (CHEMBL899781)	Inhibition of HIV1 recombinant integrase strand transfer activity
50003891	1	ChEMBL_449530 (CHEMBL899796)	Inhibition of HIV1 recombinant protease
50003892	1	ChEMBL_449803 (CHEMBL898907)	Inhibition of SARS-CoV 3C-like protease by FRET based microplate assay
50003893	1	ChEMBL_449836 (CHEMBL898943)	Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA
50003893	2	ChEMBL_449835 (CHEMBL898939)	Inhibition of human gamma secretase in HEK293 cells by reporter gene assay
50003894	1	ChEMBL_449892 (CHEMBL898998)	Displacement of [3H]spiperone from dopamine D2 receptor in rat brain
50003894	2	ChEMBL_449893 (CHEMBL898999)	Displacement of [3H]ketanserin from 5HT2A receptor in rat brain
50003894	3	ChEMBL_449891 (CHEMBL898995)	Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain
50003895	1	ChEMBL_449928 (CHEMBL899033)	Binding affinity at 5HT2A receptor in rat striatal membranes
50003895	2	ChEMBL_449927 (CHEMBL899031)	Binding affinity at dopamine D2 receptor in rat striatal membranes
50003895	3	ChEMBL_449929 (CHEMBL899034)	Binding affinity at 5HT1A receptor in rat striatal membranes
50003896	1	ChEMBL_449950 (CHEMBL899052)	Binding affinity to HIV1 reverse transcriptase Y181C mutant at 5 degC
50003896	2	ChEMBL_449951 (CHEMBL899056)	Binding affinity to HIV1 reverse transcriptase Y181C mutant at 15 degC
50003896	3	ChEMBL_449949 (CHEMBL899051)	Binding affinity to HIV1 reverse transcriptase K103N mutant at 35 degC
50003896	4	ChEMBL_449947 (CHEMBL899055)	Binding affinity to HIV1 reverse transcriptase K103N mutant at 15 degC
50003896	5	ChEMBL_449946 (CHEMBL899053)	Binding affinity to HIV1 reverse transcriptase K103N mutant at 5 degC
50003896	6	ChEMBL_449953 (CHEMBL899058)	Binding affinity to HIV1 reverse transcriptase Y181C mutant at 35 degC
50003896	7	ChEMBL_449948 (CHEMBL899054)	Binding affinity to HIV1 reverse transcriptase K103N mutant at 25 degC
50003896	8	ChEMBL_449952 (CHEMBL899057)	Binding affinity to HIV1 reverse transcriptase Y181C mutant at 25 degC
50003897	1	ChEMBL_449954 (CHEMBL899059)	Inhibition of HIV1 reverse transcriptase by ELISA
50003898	1	ChEMBL_449967 (CHEMBL899072)	Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on glutamate-induced [35S]GTP-gamma-S binding
50003899	1	ChEMBL_450289 (CHEMBL900570)	Inhibition of HIV1 reverse transcriptase V179D mutant
50003899	2	ChEMBL_450285 (CHEMBL900566)	Inhibition of wild type HIV1 3B reverse transcriptase
50003899	3	ChEMBL_450288 (CHEMBL900569)	Inhibition of HIV1 reverse transcriptase V106A mutant
50003899	4	ChEMBL_450286 (CHEMBL900567)	Inhibition of HIV1 reverse transcriptase K103N mutant
50003899	5	ChEMBL_450287 (CHEMBL900568)	Inhibition of HIV1 reverse transcriptase L100I mutant
50003899	6	ChEMBL_450291 (CHEMBL900572)	Inhibition of HIV1 reverse transcriptase Y188L mutant
50003900	1	ChEMBL_450365 (CHEMBL899545)	Inhibition of HIV1 integrase 3'-end processing activity
50003900	2	ChEMBL_450367 (CHEMBL899547)	Inhibition of HIV1 integrase strand transfer activity
50003900	3	ChEMBL_450366 (CHEMBL899546)	Inhibition of HIV1 integrase 3'-end processing activity in presence of Mg2+
50003900	4	ChEMBL_450368 (CHEMBL900653)	Inhibition of HIV1 integrase strand transfer activity in presence of Mg2+
50003901	1	ChEMBL_450835 (CHEMBL899921)	Inhibition of recombinant HIV1 integrase strand transfer activity
50003902	1	ChEMBL_451014 (CHEMBL900095)	Agonist activity at P2Y1 receptor expressed in 1321N1 cells assessed as cytosolic calcium level
50003902	2	ChEMBL_451010 (CHEMBL900091)	Agonist activity at P2Y11 receptor expressed in 1321N1 cells assessed as cytosolic calcium level
50003902	3	ChEMBL_451015 (CHEMBL900096)	Agonist activity at P2Y2 receptor expressed in 1321N1 cells assessed as cytosolic calcium level
50003903	1	ChEMBL_451711 (CHEMBL901923)	Inhibition of porcine brain tubulin polymerization
50003904	1	ChEMBL_451753 (CHEMBL901965)	Channel opening activity at human bladder Kir6.2 channel containing SUR2B expressed in L cells by FLIPR assay
50003905	1	ChEMBL_451950 (CHEMBL901108)	Binding affinity at CB1 receptor
50003906	1	ChEMBL_452761 (CHEMBL903004)	Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells
50003906	2	ChEMBL_452760 (CHEMBL903003)	Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells
50003907	1	ChEMBL_453031 (CHEMBL902178)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-40 formation LPECL assay
50003907	2	ChEMBL_453030 (CHEMBL902177)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-38 formation by LPECL assay
50003907	3	ChEMBL_453032 (CHEMBL902179)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta42 formation LPECL assay
50003908	1	ChEMBL_453103 (CHEMBL902249)	Inhibition of Gamma-secretase
50003909	1	ChEMBL_453271 (CHEMBL902426)	Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes
50003910	1	ChEMBL_453601 (CHEMBL885603)	Displacement of [125I]iodosulpiride from human cloned D2 receptor expressed in CHO cells
50003910	2	ChEMBL_453595 (CHEMBL885595)	Displacement of [3H]ketanserin from human cloned 5HT2A receptor expressed in HEK293 cells
50003910	3	ChEMBL_453600 (CHEMBL885600)	Binding affinity at adrenergic beta 1 receptor
50003910	4	ChEMBL_453598 (CHEMBL885598)	Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells
50003910	5	ChEMBL_453592 (CHEMBL885592)	Displacement of [3H]5-HT from human cloned 5HT1B receptor expressed in CHO cells
50003910	6	ChEMBL_453591 (CHEMBL885591)	Displacement of [3H]WAY-100635 from human cloned 5HT1A receptor expressed in CHO cells
50003910	7	ChEMBL_453594 (CHEMBL885594)	Inhibition of [3H]5-HT uptake at SERT in rat cortical synaptosomes
50003910	8	ChEMBL_453602 (CHEMBL885604)	Displacement of [125I]iodosulpiride from human cloned D3 receptor expressed in CHO cells
50003910	9	ChEMBL_453593 (CHEMBL885593)	Displacement of [3H]5-HT from human cloned 5HT1D receptor expressed in CHO cells
50003910	10	ChEMBL_453597 (CHEMBL885597)	Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells
50003910	11	ChEMBL_453596 (CHEMBL885596)	Displacement of [3H]5-HT from human cloned 5HT2B receptor expressed in HEK293 cells
50003910	12	ChEMBL_453599 (CHEMBL885599)	Displacement of [3H]5CT from human cloned 5HT7a receptor expressed in HEK293 cells
50003910	13	ChEMBL_453611 (CHEMBL885611)	Agonist activity at rat 5HT1A receptor
50003911	1	ChEMBL_453900 (CHEMBL885904)	Inhibition of recombinant HIV1 integrase 3'-end processing activity
50003911	2	ChEMBL_453902 (CHEMBL885906)	Inhibition of recombinant HIV1 integrase mediated-disintegration activity
50003911	3	ChEMBL_453901 (CHEMBL885905)	Inhibition of recombinant HIV1 integrase strand transfer activity
50003912	1	ChEMBL_453916 (CHEMBL885920)	Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity
50003913	1	ChEMBL_454313 (CHEMBL903491)	Inhibition of amyloid beta 42 fibril formation by thioflavin T assay
50003914	1	ChEMBL_455046 (CHEMBL887075)	Inhibition of trypsin by FCS method
50003915	1	ChEMBL_455147 (CHEMBL887177)	Inhibition of HIV1 recombinant integrase 3'-processing activity
50003915	2	ChEMBL_455148 (CHEMBL887178)	Inhibition of HIV1 recombinant integrase strand transfer activity
50003916	1	ChEMBL_455689 (CHEMBL886472)	Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells
50003917	1	ChEMBL_455884 (CHEMBL887887)	Binding affinity to progesterone receptor
50003917	2	ChEMBL_455883 (CHEMBL887886)	Binding affinity to rat glucocorticoid receptor
50003920	1	ChEMBL_455904 (CHEMBL887906)	Agonist activity at THR in HepG2 cells by whole cell assay
50003921	1	ChEMBL_455939 (CHEMBL887940)	Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells
50003922	1	ChEMBL_456072 (CHEMBL888081)	Inhibition of HIV1 integrase 3'-end processing activity
50003922	2	ChEMBL_456071 (CHEMBL888080)	Inhibition of HIV1 integrase strand transfer activity
50003922	3	ChEMBL_456073 (CHEMBL888082)	Inhibition of HIV1 integrase strand transfer activity in presence of magnesium cofactor
50003922	4	ChEMBL_456074 (CHEMBL888083)	Inhibition of HIV1 integrase 3'-end processing activity in presence of magnesium cofactor
50003925	1	ChEMBL_456465 (CHEMBL887286)	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50003925	2	ChEMBL_456464 (CHEMBL887285)	Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50003925	3	ChEMBL_456463 (CHEMBL887284)	Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation
50003926	1	ChEMBL_456712 (CHEMBL923070)	Displacement of [3H]mesulergine human cloned serotonin 5HT2C receptor
50003926	2	ChEMBL_456713 (CHEMBL923071)	Displacement of [3H]spiperone human cloned dopamine D2 receptor
50003926	3	ChEMBL_456711 (CHEMBL923069)	Displacement of [3H]ketanserin human cloned serotonin 5HT2A receptor
50003927	1	ChEMBL_457204 (CHEMBL940805)	Inhibition of wild type HIV1 NL4-3 protease
50003928	1	ChEMBL_457282 (CHEMBL940878)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-38 formation by LPECL assay
50003928	2	ChEMBL_457286 (CHEMBL940882)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta-42 formation LPECL assay
50003928	3	ChEMBL_457284 (CHEMBL940880)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-40 formation LPECL assay
50003928	4	ChEMBL_457285 (CHEMBL940881)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as reduction of Amyloid beta-42 formation LPECL assay
50003928	5	ChEMBL_457283 (CHEMBL940879)	Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in Amyloid beta38 formation by LPECL assay
50003929	1	ChEMBL_457624 (CHEMBL923825)	Inhibition of HDAC activity in HeLa cell nuclear extract by fluorescent assay
50003930	1	ChEMBL_457672 (CHEMBL923949)	Inhibition of FTase by fluorescence spectrometry technique
50003931	1	ChEMBL_457860 (CHEMBL925191)	Inhibition of gamma-secretase assessed as reduction of amyloid-beta 40 levels in H4 cells
50003931	2	ChEMBL_457861 (CHEMBL925192)	Inhibition of gamma-secretase assessed as reduction of amyloid-beta 42 levels
50003932	1	ChEMBL_458206 (CHEMBL924463)	Inhibition of HDAC in HeLa cell lysates
50003933	1	ChEMBL_458616 (CHEMBL941945)	Agonist activity at GSHR by FLIPR assay
50003933	2	ChEMBL_458618 (CHEMBL941947)	Binding affinity at 5HT1B receptor
50003935	1	ChEMBL_458637 (CHEMBL941966)	Inhibition of HIV1 integrase strand transfer activity
50003935	2	ChEMBL_458636 (CHEMBL941965)	Inhibition of HIV1 integrase 3'-end processing activity
50003936	1	ChEMBL_458899 (CHEMBL923870)	Inhibition of HIV1 protease
50003937	1	ChEMBL_458969 (CHEMBL925063)	Inhibition of HIV1 integrase-mediated 3'-end processing activity
50003937	2	ChEMBL_458970 (CHEMBL925064)	Inhibition of HIV1 integrase strand transfer activity
50003937	3	ChEMBL_458967 (CHEMBL925061)	Inhibition of HIV1 integrase
50003938	1	ChEMBL_459036 (CHEMBL925128)	Inhibition of HIV1 integrase
50003939	1	ChEMBL_459402 (CHEMBL926562)	Inhibition of HIF1 activation in human T47D cells by TK-luciferase assay
50003940	1	ChEMBL_459600 (CHEMBL925700)	Inhibition of HIV1 protease
50003940	2	ChEMBL_459603 (CHEMBL925703)	Inhibition of HIV1 protease mutant
50003942	1	ChEMBL_459920 (CHEMBL943972)	Inhibition of Hsp90 in human SkBr3 cells assessed as induction of Her2 degradation by ELISA
50003943	1	ChEMBL_459966 (CHEMBL943094)	Displacement of [125I]CCK-8S from CCK2 receptor
50003943	2	ChEMBL_459967 (CHEMBL943095)	Binding affinity to CCK1 receptor
50003944	1	ChEMBL_460333 (CHEMBL927398)	Binding affinity to beta amyloid plaque in human Alzheimer's disease brain tissue
50003945	1	ChEMBL_460520 (CHEMBL926600)	Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation
50003945	2	ChEMBL_460518 (CHEMBL926598)	Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation
50003945	3	ChEMBL_460519 (CHEMBL926599)	Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as intracellular IP3 accumulation
50003946	1	ChEMBL_460543 (CHEMBL927585)	Inhibition of recombinant HIV1 integrase strand transfer activity in presence of magnesium
50003946	2	ChEMBL_460541 (CHEMBL927583)	Inhibition of recombinant HIV1 integrase-mediated 3'-processing activity in presence of magnesium
50003946	3	ChEMBL_460542 (CHEMBL927584)	Inhibition of recombinant HIV1 integrase-mediated 3'-processing activity in presence of manganese
50003946	4	ChEMBL_460544 (CHEMBL927586)	Inhibition of recombinant HIV1 integrase strand transfer activity in presence of manganese
50003947	1	ChEMBL_460809 (CHEMBL943824)	Agonist activity at mouse recombinant NPS receptor expressed in HEK293 cells assessed as intracellular calcium mobilization
50003948	1	ChEMBL_461021 (CHEMBL944977)	Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancreatic cells
50003949	1	ChEMBL_461192 (CHEMBL926131)	Activity at Kv 7.2 channel expressed in cloned CHO cells by [86Rb] efflux assay
50003950	1	ChEMBL_461557 (CHEMBL928698)	Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels
50003951	1	ChEMBL_461924 (CHEMBL944771)	Inhibition of HIV NL43 recombinant reverse transcriptase K103N mutant by scintillation proximity assay
50003952	1	ChEMBL_463298 (CHEMBL930799)	Inhibition of human gamma secretase in human SHSY5Y cells
50003953	1	ChEMBL_463503 (CHEMBL932798)	Inhibition of HIV1 integrase 3'-end processing activity
50003953	2	ChEMBL_463501 (CHEMBL932796)	Inhibition of HIV1 integrase strand transfer activity
50003954	1	ChEMBL_464479 (CHEMBL948210)	Inhibition of Mycobacterium smegmatis DNA gyrase
50003955	1	ChEMBL_465754 (CHEMBL948998)	Inhibition of HIV1 reverse transcriptase
50003956	1	ChEMBL_465841 (CHEMBL950125)	Inhibition of human HDAC in HeLa cells
50003957	1	ChEMBL_465974 (CHEMBL947217)	Inhibition of HIV1 reverse transcriptase K103N mutant by HeLa-MAGI assay
50003958	1	ChEMBL_466309 (CHEMBL947026)	Inhibition of human gamma secretase in HEK293 cells assessed as reduction of amyloid beta level by ELISA
50003960	1	ChEMBL_466361 (CHEMBL924691)	Displacement of [125I]CCK8S from human CCK2R
50003960	2	ChEMBL_466360 (CHEMBL936370)	Displacement of [125I]CCK8S from human CCK1R
50003962	1	ChEMBL_466754 (CHEMBL931482)	Binding affinity to HIV1 integrase tetrameric form by fluorescence anisotrophy
50003963	1	ChEMBL_468352 (CHEMBL931815)	Inhibition of wild type HIV 3B reverse transcriptase in MT2 cells
50003964	1	ChEMBL_469364 (CHEMBL933047)	Inhibition of HIV1 protease expressed in Escherichia coli
50003965	1	ChEMBL_469602 (CHEMBL933161)	Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay
50003966	1	ChEMBL_469686 (CHEMBL946814)	Inhibition of HIV1 protease
50003967	1	ChEMBL_470966 (CHEMBL923035)	Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells
50003967	2	ChEMBL_470968 (CHEMBL923037)	Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells
50003967	3	ChEMBL_470967 (CHEMBL923036)	Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells
50003968	1	ChEMBL_471467 (CHEMBL938149)	Inhibition of HIV1 LAI reverse transcriptase wild type LAI by heteropolymeric DNA polymerase assay
50003968	2	ChEMBL_471453 (CHEMBL952768)	Inhibition of HIV1 LAI reverse transcriptase wild type in presence of 5 mM ATP by heteropolymeric DNA polymerase assay
50003968	3	ChEMBL_471455 (CHEMBL952770)	Inhibition of HIV1 pNL4-3 reverse transcriptase wild type pNL4-3 in presence of 5 mM ATP by heteropolymeric DNA polymerase assay
50003968	4	ChEMBL_471469 (CHEMBL938151)	Inhibition of HIV1 pNL4-3 reverse transcriptase wild type pNL4-3 by heteropolymeric DNA polymerase assay
50003969	1	ChEMBL_471600 (CHEMBL940231)	Displacement of [3H]Diprenorphine from human mu opioid receptor expressed in CHO cells
50003969	2	ChEMBL_471599 (CHEMBL940230)	Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells
50003969	3	ChEMBL_471609 (CHEMBL941038)	Displacement of [3H]naltrindole from human delta opioid receptor expressed in deltaC6 cells
50003969	4	ChEMBL_471610 (CHEMBL941039)	Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain cortical tissue
50003970	1	ChEMBL_471613 (CHEMBL941042)	Displacement of [3]ZM241385 from human adenosine A2A receptor expressed in HeLa cells
50003970	2	ChEMBL_471614 (CHEMBL941043)	Displacement of [3]DPCPX from human adenosine A2B receptor expressed in HEK293 cells
50003970	3	ChEMBL_471615 (CHEMBL941044)	Displacement of [3]NECA from human adenosine A3 receptor expressed in HeLa cells
50003970	4	ChEMBL_471612 (CHEMBL941041)	Displacement of [3]DPCPX from human adenosine A1 receptor expressed in CHO cells
50003971	1	ChEMBL_471647 (CHEMBL933891)	Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 7.0
50003971	2	ChEMBL_471648 (CHEMBL933892)	Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 8.0
50003971	3	ChEMBL_471650 (CHEMBL933894)	Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 10.0
50003971	4	ChEMBL_471652 (CHEMBL933896)	Inhibition of Aeromonas hydrophila beta lactamase CphA by competitive inhibition assay
50003971	5	ChEMBL_471649 (CHEMBL933893)	Inhibition of Aeromonas hydrophila beta lactamase CphA at pH 9.0
50003972	1	ChEMBL_472346 (CHEMBL952149)	Inhibition of glucan synthase in Candida albicans 36082 assessed as incorporation of [3H]uridine diphosphoglucose in presence of 20% serum
50003972	2	ChEMBL_472361 (CHEMBL952164)	Inhibition of glucan synthase in Candida albicans ATCC 90028
50003972	3	ChEMBL_472362 (CHEMBL952165)	Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 10% human serum
50003972	4	ChEMBL_472364 (CHEMBL952167)	Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 50% human serum
50003972	5	ChEMBL_472366 (CHEMBL952169)	Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 10% human serum
50003972	6	ChEMBL_472367 (CHEMBL952945)	Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 20% human serum
50003972	7	ChEMBL_472368 (CHEMBL952946)	Inhibition of glucan synthase in Candida albicans ATCC 36082 in presence of 50% human serum
50003972	8	ChEMBL_472371 (CHEMBL952949)	Inhibition of glucan synthase in Candida albicans SC5314 in presence of 20% human serum
50003972	9	ChEMBL_472372 (CHEMBL952950)	Inhibition of glucan synthase in Candida albicans SC5314 in presence of 50% human serum
50003972	10	ChEMBL_472365 (CHEMBL952168)	Inhibition of glucan synthase in Candida albicans ATCC 36082
50003972	11	ChEMBL_472370 (CHEMBL952948)	Inhibition of glucan synthase in Candida albicans SC5314 in presence of 10% human serum
50003972	12	ChEMBL_472369 (CHEMBL952947)	Inhibition of glucan synthase in Candida albicans SC5314
50003972	13	ChEMBL_472345 (CHEMBL952148)	Inhibition of glucan synthase in Candida albicans 36082 assessed as incorporation of [3H]uridine diphosphoglucose in presence of 10% serum
50003972	14	ChEMBL_472344 (CHEMBL952147)	Inhibition of glucan synthase in Candida albicans 36082 assessed as incorporation of [3H]uridine diphosphoglucose
50003972	15	ChEMBL_472347 (CHEMBL952150)	Inhibition of glucan synthase in Candida albicans 36082 assessed as incorporation of [3H]uridine diphosphoglucose in presence of 50% serum
50003972	16	ChEMBL_472363 (CHEMBL952166)	Inhibition of glucan synthase in Candida albicans ATCC 90028 in presence of 20% human serum
50003973	1	ChEMBL_473058 (CHEMBL935102)	Inhibition of FKS1 from Candida krusei 98 isolate
50003973	2	ChEMBL_473059 (CHEMBL935103)	Inhibition of FKS1 T2080K mutant from Candida krusei 100 isolate
50003974	1	ChEMBL_473885 (CHEMBL921207)	Inhibition of Mycobacterium smegmatis MC2 DNA gyrase GyrB ATPase supercoiling activity
50003975	1	ChEMBL_474273 (CHEMBL935078)	Agonist activity at human GHSR1a by FLIPR assay
50003975	2	ChEMBL_474275 (CHEMBL934242)	Binding affinity to 5HT1B receptor
50003976	1	ChEMBL_475569 (CHEMBL921401)	Inhibition of human HDAC in HeLa cells
50003977	1	ChEMBL_475580 (CHEMBL921412)	Inhibition of HIV1 recombinant protease expressed in Escherichia coli
50003978	1	ChEMBL_475587 (CHEMBL926891)	Inhibition of HIV1 integrase strand transfer activity using labelled oligonucleotide substrate by ELISA
50003978	2	ChEMBL_475586 (CHEMBL926890)	Inhibition of HIV1 integrase 3'-processing activity using labelled oligonucleotide substrate by ELISA
50003978	3	ChEMBL_475585 (CHEMBL926889)	Inhibition of HIV1 integrase using labelled U5A/U5B double stranded DNA substrate
50003978	4	ChEMBL_475584 (CHEMBL926888)	Inhibition of HIV1 integrase using labelled oligonucleotide substrate by ELISA
50003978	5	ChEMBL_475583 (CHEMBL926887)	Inhibition of HIV1 integrase using labelled oligonucleotide substrate in presence of bovine serum albumin by ELISA
50003978	6	ChEMBL_475592 (CHEMBL934598)	Inhibition of HIV1 reverse transcriptase
50003979	1	ChEMBL_475717 (CHEMBL934603)	Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells
50003979	2	ChEMBL_475721 (CHEMBL934607)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in NIH3T3 cells
50003980	1	ChEMBL_475987 (CHEMBL931441)	Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay
50003982	1	ChEMBL_476026 (CHEMBL927106)	Inhibition of HIV1 recombinant integrase strand transfer activity
50003983	1	ChEMBL_476077 (CHEMBL921467)	Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by uncompetitive inhibition assay
50003983	2	ChEMBL_476076 (CHEMBL921466)	Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay
50003984	1	ChEMBL_476088 (CHEMBL926963)	Inhibition of HIV1 protease dimerization in MT2 cells
50003985	1	ChEMBL_476211 (CHEMBL923742)	Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay
50003985	2	ChEMBL_476212 (CHEMBL923743)	Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay
50003985	3	ChEMBL_476207 (CHEMBL923738)	Inhibition of Photinus pyralis luciferase by PK-Light assay
50003985	4	ChEMBL_476208 (CHEMBL923739)	Inhibition of Photinus pyralis luciferase
50003985	5	ChEMBL_476209 (CHEMBL923740)	Inhibition of Photinus pyralis luciferase by Easy lite assay
50003986	1	ChEMBL_476891 (CHEMBL940155)	Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter L130W mutant fluorescence-based assay in presence of NaCl
50003986	2	ChEMBL_476894 (CHEMBL940158)	Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter D405N mutant in presence of NaCl
50003987	1	ChEMBL_477347 (CHEMBL931459)	Displacement of [3H]valsartan from human AT1 receptor expressed in CHO cells
50003987	2	ChEMBL_477343 (CHEMBL936433)	Inhibition of human recombinant IRAP expressed in HEK293 cells
50003987	3	ChEMBL_477344 (CHEMBL936434)	Inhibition of human recombinant APN expressed in HEK293 cells
50003988	1	ChEMBL_477388 (CHEMBL928176)	Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx
50003989	1	ChEMBL_477732 (CHEMBL926066)	Displacement of [3H]L685458 from gamma-secretase in human THP1 cells
50003989	2	ChEMBL_477733 (CHEMBL926067)	Displacement of [3H]IN973 from gamma-secretase in human THP1 cells
50003990	1	ChEMBL_478364 (CHEMBL931316)	Inhibition of Escherichia coli LpxC Q202W/G210S mutant
50003990	2	ChEMBL_478367 (CHEMBL931319)	Inhibition of Rhizobium leguminosarum LpxC W206Q/S214G mutant
50003990	3	ChEMBL_478363 (CHEMBL936280)	Inhibition of Escherichia coli LpxC
50003990	4	ChEMBL_478366 (CHEMBL931318)	Inhibition of Rhizobium leguminosarum LpxC S214G mutant
50003992	1	ChEMBL_479604 (CHEMBL926800)	Inhibition of HIV1 reverse transcriptase by SPA assay
50003992	2	ChEMBL_479605 (CHEMBL926801)	Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay
50003992	3	ChEMBL_479606 (CHEMBL926802)	Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay
50003993	1	ChEMBL_479723 (CHEMBL921483)	Inhibition of HIV1 integrase
50003993	2	ChEMBL_479724 (CHEMBL921484)	Inhibition of HIV1 integrase strand transfer activity
50003994	1	ChEMBL_549581 (CHEMBL1015932)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by pTK-HRE3-luciferase reporter gene assay
50003995	1	ChEMBL_549611 (CHEMBL1016757)	Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells
50003996	1	ChEMBL_550293 (CHEMBL996421)	Inhibition of HIV1 integrase strand transfer activity
50003997	1	ChEMBL_550650 (CHEMBL1002745)	Inhibition of rat kidney DPP4
50003999	1	ChEMBL_551740 (CHEMBL1000915)	Inhibition of alpha-glucosidase
50004068	1	ChEMBL_502585 (CHEMBL988396)	Inhibition of HIV1 reverse transcriptase
50004071	1	ChEMBL_502633 (CHEMBL989308)	Displacement of [3H]prazosin from alpha1 adrenoceptor in rat heart membrane
50004076	1	ChEMBL_502847 (CHEMBL984036)	Inhibition of HIV1 reverse transcriptase
50004077	1	ChEMBL_502868 (CHEMBL987578)	Inhibition of HIV1 reverse transcriptase
50004079	1	ChEMBL_503280 (CHEMBL991974)	Inhibition of HIV1 recombinant reverse transcriptase p66/p51 expressed in Escherichia coli
50004081	1	ChEMBL_482197 (CHEMBL960231)	Inhibition of fatty acid synthase
50004082	1	ChEMBL_482227 (CHEMBL960262)	Inhibition of COX1
50004082	2	ChEMBL_482228 (CHEMBL960263)	Inhibition of COX2
50004083	1	ChEMBL_549077 (CHEMBL1011446)	Inhibition of Carica papaya papain
50004084	1	ChEMBL_549085 (CHEMBL1011454)	Inhibition of c-erbB-2
50004084	2	ChEMBL_549086 (CHEMBL1011455)	Inhibition of CDK4
50004085	1	ChEMBL_549420 (CHEMBL1019351)	Inhibition of plasmin
50004086	1	ChEMBL_549454 (CHEMBL996388)	Inhibition of HIV1 reverse transcriptase activity assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP into DNA
50004087	1	ChEMBL_550109 (CHEMBL1004237)	Inhibition of plasmin
50004087	2	ChEMBL_550107 (CHEMBL1004235)	Inhibition of thrombin
50004088	1	ChEMBL_550788 (CHEMBL995655)	Antimicrobial activity against Enterococcus faecalis 12964
50004089	1	ChEMBL_551176 (CHEMBL997395)	Inhibition of human recombinant PKCalpha
50004090	1	ChEMBL_551254 (CHEMBL1003517)	Inhibition of plasmin after 30 mins by microtiter plate method
50004091	1	ChEMBL_551972 (CHEMBL1006747)	Antibacterial activity against Streptococcus faecalis group D ATCC 29212 after overnight incubation
50004092	1	ChEMBL_551976 (CHEMBL1006751)	Inhibition of trypsin-induced elevation in PAI1 production in HUVEC by ELISA
50004094	1	ChEMBL_547549 (CHEMBL1033407)	Inhibition of iNOS-mediated NO production in LPS-stimulated mouse RAW264.7 cells by Griess method
50004096	1	ChEMBL_504110 (CHEMBL982305)	Displacement of [3H]prazosin from alpha1 adrenergic receptor in Wistar rat cerebral cortex membrane
50004096	2	ChEMBL_504111 (CHEMBL982306)	Displacement of [3H]diltiazem from benzodiazepine binding site of L-type calcium channel in Wistar rat cerebral cortex membrane
50004097	1	ChEMBL_504135 (CHEMBL982330)	Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis
50004098	1	ChEMBL_504193 (CHEMBL985841)	Inhibition of FAS in human ZR-75-1 cells by spectrophotometry
50004099	1	ChEBML_485267	Inhibition of mouse EGFR by liquid scintillation counting
50004099	2	ChEBML_485268	Inhibition of EGFR
50004102	1	ChEMBL_485605 (CHEMBL1017358)	Inhibition of DHFR
50004102	2	ChEMBL_485604 (CHEMBL1017357)	Inhibition of topoisomerase 2
50004103	1	ChEMBL_486838 (CHEMBL1021001)	Inhibition of HIV1 protease
50004104	1	ChEMBL_487202 (CHEMBL1014859)	Antagonist activity at voltage-dependent L-type calcium channel in mouse neurobalstoma-rat glioma NG 108-15 hybrid cells assessed as inhibition of KCl-induced increase in intracellular calcium level pretreated for 3 mins before KCl challenge
50004105	1	ChEMBL_484064 (CHEMBL1005271)	Inhibition of rat brain PKC
50004106	1	ChEMBL_484392 (CHEMBL955365)	Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by poly(rA)n.oligo(dT)12-18-directed incorporation of [3H]dTTP
50004106	2	ChEMBL_484391 (CHEMBL955364)	Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity
50004106	3	ChEMBL_484393 (CHEMBL955366)	Inhibition of RNase H activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity by poly(rA)n.oligo(dT)n-directed incorporation of [3H]dTTP
50004107	1	ChEMBL_484402 (CHEMBL956148)	Inhibition of DNA topoisomerase 2 assessed as bacteriophage P4 DNA unknotting after 30 mins
50004108	1	ChEMBL_484679 (CHEMBL1011363)	Inhibition of HIV1 reverse transcriptase
50004108	2	ChEMBL_484694 (CHEMBL1014062)	Inhibition of drug-resistant HIV1 reverse transcriptase
50004109	1	ChEMBL_485671 (CHEMBL1018253)	Inhibition of PKCdelta
50004109	2	ChEMBL_485668 (CHEMBL1018250)	Inhibition of PKCalpha
50004109	3	ChEMBL_485670 (CHEMBL1018252)	Inhibition of PKCbeta2
50004109	4	ChEMBL_485669 (CHEMBL1018251)	Inhibition of PKCbeta1
50004110	1	ChEMBL_486309 (CHEMBL1009538)	Inhibition of human recombinant p21RAS by GDPX assay
50004111	1	ChEMBL_486928 (CHEMBL1012190)	Inhibition of Clostridium perfringens neuraminidase
50004112	1	ChEMBL_486986 (CHEMBL1013067)	Inhibition of HIV1 integrase 3' processing activity
50004112	2	ChEMBL_486987 (CHEMBL1013068)	Inhibition of HIV1 integrase strand transfer activity
50003546	1	ChEMBL_481732 (CHEMBL1002833)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells carrying pTK-HER3-luc reporter gene measured by luciferase activity
50003546	2	ChEMBL_481746 (CHEMBL1002847)	Inhibition of hypoxia-induced HIF1 activation in human U251 cells
50003585	1	ChEMBL_480449 (CHEMBL941104)	Inhibition of HIV1 reverse transcriptase
50003694	1	ChEMBL_480527 (CHEMBL942158)	Inhibition of Escherichia coli JT4 beta-lactamase TEM1 assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate assay
50003694	2	ChEMBL_480528 (CHEMBL942159)	Inhibition of Pseudomonas aeruginosa A beta-lactamase assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate assay
50003694	3	ChEMBL_480530 (CHEMBL942161)	Inhibition of Proteus mirabilis C889 beta-lactamase assessed as inhibition of nitrocefin hydrolysis preincubated for 5 mins by microtiter plate assay
50003694	4	ChEMBL_480531 (CHEMBL942162)	Inhibition of Staphylococcus aureus Russell beta-lactamase assessed as inhibition of nitrocefin hydrolysis pre-incubated for 5 mins by microtiter plate assay
50003694	5	ChEMBL_480529 (CHEMBL942160)	Inhibition of Enterobacter cloacae P99 beta-lactamase assessed as inhibition of nitrocefin hydrolysis pre-incubated for 5 mins by microtiter plate assay
50004113	1	ChEMBL_480681 (CHEMBL1014697)	Inhibition of human DNA topoisomerase 2 catalytic domain-mediated knotted bacteriophage P4Virl dell0 DNA unknotting by agarose gel electrophoresis
50004114	1	ChEMBL_546411 (CHEMBL1025810)	Displacement of [3H]PDBu from rat brain membrane PKC
50004116	1	ChEMBL_546485 (CHEMBL1026654)	Displacement of [3H]LTB4 from LTB4 receptor in human neutrophils
50004117	1	ChEMBL_546489 (CHEMBL1026658)	Inhibition of human recombinant FPTase by Ras farnesyl-protein-transferase assay
50004118	1	ChEMBL_546667 (CHEMBL1029195)	Inhibition of HIV1 recombinant reverse transcriptase by NCI assay
50004118	2	ChEMBL_546666 (CHEMBL1029194)	Inhibition of HIV1 recombinant reverse transcriptase by UIC assay
50004119	1	ChEMBL_480130 (CHEMBL1019020)	Inhibition of HER2 overexpressed in mouse 3T3 cells by ELISA
50004119	2	ChEMBL_480131 (CHEMBL1019021)	Displacement of [3H]NPY from neuropeptide Y receptor in rat cerebral cortices
50004120	1	ChEMBL_503778 (CHEMBL992093)	Inhibition of HIV1 integrase strand transfer activity
50004121	1	ChEMBL_503789 (CHEMBL992104)	Inhibition of truncated recombinant MT1-MMP expressed in Escherichia coli JM109 after 1 hr by fluorescence assay
50004122	1	ChEMBL_503891 (CHEMBL982279)	Inhibition of HIV1 recombinant integrase
50004124	1	ChEMBL_503908 (CHEMBL983100)	Inhibition of CDK4/Cyclin D1 complex formation
50004125	1	ChEMBL_507646 (CHEMBL948647)	Inhibition of bee venom PLA2
50004127	1	ChEMBL_507676 (CHEMBL944524)	Inhibition of bovine beta-glucuronidase
50004128	1	ChEMBL_505291 (CHEMBL944580)	Inhibition of recombinant MMP2
50002888	1	ChEMBL_505884 (CHEMBL948563)	Displacement of [gamma32P]ATP from rat brain PKC by competitive Lineweaver-Burke plot analysis
50002888	2	ChEMBL_505885 (CHEMBL948564)	Inhibition of rat brain PKC using histone type 3-S as substrate by noncompetitive Lineweaver-Burke plot analysis
50002888	3	ChEMBL_505886 (CHEMBL948565)	Displacement of [3H]PDBu from rat brain PKC by scintillation counting
50002888	4	ChEMBL_505883 (CHEMBL948562)	Inhibition of rat brain PKC by mixed micellar assay
50002888	5	ChEMBL_505888 (CHEMBL948567)	Inhibition of rat brain PKC catalytic domain by mixed micellar assay
50003220	1	ChEMBL_506576 (CHEMBL949707)	Inhibition of thrombin
50003220	2	ChEMBL_506573 (CHEMBL949704)	Inhibition of plasmin
50003220	3	ChEMBL_506575 (CHEMBL949706)	Inhibition of papaya papain
50003366	1	ChEMBL_506861 (CHEMBL947562)	Inhibition of HMG CoA reductase
50003367	1	ChEMBL_483554 (CHEMBL961145)	Inhibition of alpha-glucosidase
50003496	1	ChEMBL_484496 (CHEMBL1014022)	Inhibition of human recombinant E1-ubiquitin complex formation
50003497	1	ChEMBL_485096 (CHEMBL1013206)	Inhibition of cathepsin B mediated osteoporotic activity
50003648	1	ChEMBL_485133 (CHEMBL1015783)	Inhibition of HIV1 protease
50003795	1	ChEMBL_486080 (CHEMBL1009504)	Inhibition of rat lung ACE
50003877	1	ChEMBL_486812 (CHEMBL1018347)	Displacement of radiolabeled PDBU from PKC in rat forebrain
50003879	1	ChEMBL_487139 (CHEMBL1022720)	Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rA)-oligo(dT) template
50003879	2	ChEMBL_487142 (CHEMBL1022724)	Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rG)-oligo(dC) template
50003879	3	ChEMBL_482407 (CHEMBL966000)	Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(dC)-oligo(dG) template
50003879	4	ChEMBL_487141 (CHEMBL1022722)	Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rU)-oligo(dA) template
50003879	5	ChEMBL_487140 (CHEMBL1022721)	Inhibition of HIV1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rC)-oligo(dG) template
50003880	1	ChEMBL_483709 (CHEMBL954608)	Inhibition of HIV1 protease-mediated proteolysis of rabbit muscle lactate dehydrogenase by spectrophotometry
50003998	1	ChEMBL_530599 (CHEMBL968510)	Inhibition of Influenza A virus neuraminidase activity
50004000	1	ChEMBL_532090 (CHEMBL993303)	Inhibition of dopamine uptake at DAT
50004000	2	ChEMBL_532060 (CHEMBL992446)	Inhibition of cyclooxygenase-2
50004000	3	ChEMBL_531811 (CHEMBL991523)	Antagonist activity at protein kinase C delta
50004000	4	ChEMBL_531813 (CHEMBL991525)	Antagonist activity at protein kinase C gamma
50004000	5	ChEMBL_531809 (CHEMBL991521)	Antagonist activity at protein kinase C beta-1
50004000	6	ChEMBL_531808 (CHEMBL991520)	Antagonist activity at protein kinase C alpha
50004000	7	ChEMBL_532059 (CHEMBL992445)	Inhibition of cyclooxygenase-1
50004000	8	ChEMBL_531814 (CHEMBL991526)	Antagonist activity at protein kinase C zeta
50004000	9	ChEMBL_532089 (CHEMBL993302)	Inhibition of serotonin transporter
50004000	10	ChEMBL_532093 (CHEMBL993306)	Inhibition of noradrenaline transporter
50004000	11	ChEMBL_531812 (CHEMBL991524)	Antagonist activity at protein kinase C epsilon
50004000	12	ChEMBL_532070 (CHEMBL993283)	Inhibition of rat lens aldose reductase
50004000	13	ChEMBL_531810 (CHEMBL991522)	Antagonist activity at protein kinase C beta2
50004001	1	ChEMBL_532949 (CHEMBL986926)	Inhibition of influenza virus neuraminidase
50004002	1	ChEMBL_531210 (CHEMBL983398)	Inhibition of Candida albicans isocitrate lyase
50004003	1	ChEMBL_532300 (CHEMBL973223)	Inhibition of Candida albicans isocitrate lyase
50004004	1	ChEMBL_532312 (CHEMBL973235)	Inhibition of HIV1 reverse transcriptase in human LAI cells
50004005	1	ChEMBL_532747 (CHEMBL972321)	Inhibition of HIV1 reverse transcriptase
50004006	1	ChEMBL_555999 (CHEMBL965471)	Inhibition of HIV1 protease
50004007	1	ChEMBL_552316 (CHEMBL1005220)	Inhibition of Staphylococcus aureus MS5935 wild type DNA gyrase-mediated supercoiling activity
50004007	2	ChEMBL_552317 (CHEMBL1005221)	Inhibition of quinoline-resistant Staphylococcus aureus MS5935 DNA gyrase-mediated supercoiling activity
50004008	1	ChEMBL_556818 (CHEMBL963904)	Inhibition of human bowes melanoma cell MMP2
50004008	2	ChEMBL_556816 (CHEMBL961514)	Inhibition of bovine arterial endothelial cell MMP9
50004008	3	ChEMBL_556819 (CHEMBL963905)	Inhibition of Flt1 expressed in mouse NIH3T3 cells by autoradiography
50004008	4	ChEMBL_556817 (CHEMBL961515)	Inhibition of human A431 cell EGFRK assessed as 32P phosphorylation by scintillation counter
50004009	1	ChEMBL_552634 (CHEMBL957279)	Inhibition of HIV1 virion-associated reverse transcriptase
50004010	1	ChEMBL_508044 (CHEMBL945487)	Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluorescence analysis
50004012	1	ChEMBL_504751 (CHEMBL990225)	Inhibition of HIV1 integrase 3' processing/strand transfer coupled activity
50004012	2	ChEMBL_504754 (CHEMBL990228)	Inhibition of disintegration activity of HIV1 integrase catalytic core domain (50 to 212)
50004012	3	ChEMBL_504752 (CHEMBL990226)	Inhibition of HIV1 integrase strand transfer activity
50004012	4	ChEMBL_504755 (CHEMBL990229)	Inhibition of integration activity of HIV1 intact integrase
50004012	5	ChEMBL_504753 (CHEMBL990227)	Inhibition of disintegration activity of HIV1 intact integrase
50004013	1	ChEMBL_553446 (CHEMBL957139)	Inhibition of HIV1 recombinant reverse transcriptase
50004014	1	ChEMBL_508433 (CHEMBL1001303)	Binding affinity to HIV1 reverse transcriptase p66/p51-polypurine tract primer complex in presence of Mg2+ ions by band shift assay
50004014	2	ChEMBL_508434 (CHEMBL1001304)	Binding affinity to HIV1 reverse transcriptase p66/p51-polypurine tract primer complex in absence of Mg2+ ions by band shift assay
50004015	1	ChEMBL_508733 (CHEMBL1004027)	Inhibition of HIV1 RT mediated DNA-dependent DNA synthesis initiation using RNA/DNAM duplex primed substrate by scintillation proximity assay
50004015	2	ChEMBL_508734 (CHEMBL1004028)	Inhibition of HIV1 RT mediated DNA-dependent DNA synthesis initiation using RNA PPT primed substrate by scintillation proximity assay
50004015	3	ChEMBL_508736 (CHEMBL1004030)	Inhibition of HIV1 RT K103N mutant mediated DNA-dependent DNA polymerization using RNA PPT primed substrate by scintillation proximity assay
50004015	4	ChEMBL_508738 (CHEMBL1004032)	Inhibition of HIV1 RT Y181C mutant mediated DNA-dependent DNA polymerization using RNA/DNAM duplex primed substrate by scintillation proximity assay
50004015	5	ChEMBL_508739 (CHEMBL1004033)	Inhibition of HIV1 RT Y181C mutant mediated DNA-dependent DNA polymerization using RNA PPT primed substrate by scintillation proximity assay
50004015	6	ChEMBL_508737 (CHEMBL1004031)	Inhibition of HIV1 RT K103N mutant mediated DNA-dependent DNA polymerization using DNA PPT primed substrate by scintillation proximity assay
50004015	7	ChEMBL_508740 (CHEMBL1004034)	Inhibition of HIV1 RT Y181C mutant mediated DNA-dependent DNA polymerization using DNA PPT primed substrate by scintillation proximity assay
50004015	8	ChEMBL_508741 (CHEMBL1004035)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization
50004015	9	ChEMBL_508743 (CHEMBL1004037)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer extended at 3' end with upto one deoxyribonucleotide
50004015	10	ChEMBL_508744 (CHEMBL1006558)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer extended at 3' end with upto 2 deoxyribonucleotides
50004015	11	ChEMBL_508747 (CHEMBL1006561)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer extended at 3' end with upto 9 deoxyribonucleotides
50004015	12	ChEMBL_508748 (CHEMBL1006562)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer extended at 3' end with upto 12 deoxyribonucleotides
50004015	13	ChEMBL_508735 (CHEMBL1004029)	Inhibition of HIV1 RT K103N mutant mediated DNA-dependent DNA polymerization using RNA/DNAM duplex primed substrate by scintillation proximity assay
50004015	14	ChEMBL_508731 (CHEMBL1004025)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using RNA PPT primed-DNA hybrid substrate
50004015	15	ChEMBL_508730 (CHEMBL1004024)	Inhibition of HIV1 RT mediated DNA-dependent plus strand synthesis initiation using RNA-DNA hybrid substrate
50004015	16	ChEMBL_508742 (CHEMBL1004036)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer
50004015	17	ChEMBL_508729 (CHEMBL1004023)	Inhibition of HIV1 RT mediated DNA-dependent plus-strand DNA polymerization after 5 mins by gel-based assay
50004015	18	ChEMBL_508732 (CHEMBL1004026)	Inhibition of HIV1 RT mediated DNA-dependent DNA synthesis initiation using DNA PPT-primed substrate
50004015	19	ChEMBL_508728 (CHEMBL1004022)	Inhibition of HIV1 RT mediated RNA-dependent minus-strand DNA synthesis after 5 mins by gel-based assay
50004015	20	ChEMBL_508745 (CHEMBL1006559)	Inhibition of HIV1 RT mediated DNA-dependent DNA polymerization using chimeric substrate with RNA PPT primer extended at 3' end with upto 3 deoxyribonucleotides
50004016	1	ChEMBL_505443 (CHEMBL942373)	Inhibition of HIV1 integrase by quantitative ELISA
50004016	2	ChEMBL_505440 (CHEMBL942370)	Binding affinity to HIV1 integrase by fluorescence anisotrophy
50004017	1	ChEMBL_508199 (CHEMBL1000338)	Inhibition of HCV 1a NS3-4A R155K mutant protease after 60 mins
50004017	2	ChEMBL_508202 (CHEMBL1000341)	Inhibition of HCV 1a NS3-4A R155I mutant protease after 60 mins
50004017	3	ChEMBL_508201 (CHEMBL1000340)	Inhibition of HCV 1a NS3-4A protease R155S mutant after 60 mins
50004017	4	ChEMBL_508200 (CHEMBL1000339)	Inhibition of HCV 1a NS3-4A R155T mutant protease after 60 mins
50004018	1	ChEMBL_506014 (CHEMBL950609)	Binding affinity to exonuclase deficient human recombinant DNA polymerase gamma E200A mutant
50004019	1	ChEMBL_507026 (CHEMBL942485)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor V94C/R551C mutant expressed in african green monkey COS7 cells
50004019	2	ChEMBL_507028 (CHEMBL942487)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor N95C/T549C mutant expressed in african green monkey COS7 cells
50004019	3	ChEMBL_507029 (CHEMBL942488)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor N95C/F550C mutant expressed in african green monkey COS7 cells
50004019	4	ChEMBL_507034 (CHEMBL942493)	Agonist activity at rat M3'(3C)-Xa receptor A91C/F550C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	5	ChEMBL_507035 (CHEMBL942494)	Agonist activity at rat M3'(3C)-Xa receptor A91C/R551C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	6	ChEMBL_507040 (CHEMBL942499)	Agonist activity at rat M3'(3C)-Xa receptor K93C/K548C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	7	ChEMBL_507041 (CHEMBL942500)	Agonist activity at rat M3'(3C)-Xa receptor K93C/T549C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	8	ChEMBL_506821 (CHEMBL946540)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor K93C/R551C mutant expressed in african green monkey COS7 cells
50004019	9	ChEMBL_507024 (CHEMBL942483)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor V94C/T549C mutant expressed in african green monkey COS7 cells
50004019	10	ChEMBL_507025 (CHEMBL942484)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor V94C/F550C mutant expressed in african green monkey COS7 cells
50004019	11	ChEMBL_507042 (CHEMBL942501)	Agonist activity at rat M3'(3C)-Xa receptor K93C/F550C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	12	ChEMBL_507043 (CHEMBL942502)	Agonist activity at rat M3'(3C)-Xa receptor K93C/R551C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	13	ChEMBL_507045 (CHEMBL942504)	Agonist activity at rat M3'(3C)-Xa receptor V94C/T549C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	14	ChEMBL_507046 (CHEMBL942505)	Agonist activity at rat M3'(3C)-Xa receptor V94C/F550C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	15	ChEMBL_507049 (CHEMBL943487)	Agonist activity at rat M3'(3C)-Xa receptor N95C/T549C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	16	ChEMBL_507050 (CHEMBL943488)	Agonist activity at rat M3'(3C)-Xa receptor N95C/F550C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	17	ChEMBL_507051 (CHEMBL945595)	Agonist activity at rat M3'(3C)-Xa receptor N95C/R551C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	18	ChEMBL_506809 (CHEMBL946528)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor A91C/K548C mutant expressed in african green monkey COS7 cells
50004019	19	ChEMBL_506812 (CHEMBL946531)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor A91C/F550C mutant expressed in african green monkey COS7 cells
50004019	20	ChEMBL_506816 (CHEMBL946535)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor F92C/F550C mutant expressed in african green monkey COS7 cells
50004019	21	ChEMBL_506819 (CHEMBL946538)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor K93C/T549C mutant expressed in african green monkey COS7 cells
50004019	22	ChEMBL_507861 (CHEMBL951707)	Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells by scanning densitometry
50004019	23	ChEMBL_507862 (CHEMBL951708)	Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor F92C/F550C mutant expressed in african green monkey COS7 cells by scanning densitometry
50004019	24	ChEMBL_507039 (CHEMBL942498)	Agonist activity at rat M3'(3C)-Xa receptor F92C/R551C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	25	ChEMBL_507033 (CHEMBL942492)	Agonist activity at rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	26	ChEMBL_506815 (CHEMBL946534)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor F92C/T549C mutant expressed in african green monkey COS7 cells
50004019	27	ChEMBL_507038 (CHEMBL942497)	Agonist activity at rat M3'(3C)-Xa receptor F92C/F550C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	28	ChEMBL_506822 (CHEMBL946541)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor V94C/K548C mutant expressed in african green monkey COS7 cells
50004019	29	ChEMBL_506813 (CHEMBL946532)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor A91C/R551C mutant expressed in african green monkey COS7 cells
50004019	30	ChEMBL_506817 (CHEMBL946536)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor F92C/R551C mutant expressed in african green monkey COS7 cells
50004019	31	ChEMBL_507044 (CHEMBL942503)	Agonist activity at rat M3'(3C)-Xa receptor V94C/K548C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	32	ChEMBL_507858 (CHEMBL951704)	Inhibition of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor F92C/F550C mutant expressed in african green monkey COS7 cells by scanning densitometry
50004019	33	ChEMBL_507027 (CHEMBL942486)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor N95C/K548C mutant expressed in african green monkey COS7 cells
50004019	34	ChEMBL_507030 (CHEMBL942489)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor N95C/R551C mutant expressed in african green monkey COS7 cells
50004019	35	ChEMBL_507037 (CHEMBL942496)	Agonist activity at rat M3'(3C)-Xa receptor F92C/T549C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	36	ChEMBL_507047 (CHEMBL942506)	Agonist activity at rat M3'(3C)-Xa receptor V94C/R551C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	37	ChEMBL_507048 (CHEMBL942507)	Agonist activity at rat M3'(3C)-Xa receptor N95C/K548C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	38	ChEMBL_506818 (CHEMBL946537)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor K93C/K548C mutant expressed in african green monkey COS7 cells
50004019	39	ChEMBL_507032 (CHEMBL942491)	Agonist activity at rat M3'(3C)-Xa receptor A91C/K548C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	40	ChEMBL_507036 (CHEMBL942495)	Agonist activity at rat M3'(3C)-Xa receptor F92C/K548C mutant expressed in african green monkey COS7 cells assessed as increase in myo-[3H]inositol hydrolysis
50004019	41	ChEMBL_506814 (CHEMBL946533)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor F92C/K548C mutant expressed in african green monkey COS7 cells
50004019	42	ChEMBL_507857 (CHEMBL951703)	Inhibition of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells by scanning densitometry
50004019	43	ChEMBL_506811 (CHEMBL946530)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells
50004019	44	ChEMBL_506820 (CHEMBL946539)	Displacement of [3H]NMS from rat M3'(3C)-Xa receptor K93C/F550C mutant expressed in african green monkey COS7 cells
50004020	1	ChEMBL_533530 (CHEMBL990507)	Binding affinity to complement component C3 in human plasma by isothermal titration calorimetry
50004021	1	ChEMBL_534522 (CHEMBL984612)	Inhibition of HIV1 recombinant wild type reverse transcriptase
50004022	1	ChEMBL_529875 (CHEMBL968425)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity
50004023	1	ChEMBL_529980 (CHEMBL975051)	Inhibition of Influenza A virus neuraminidase
50004024	1	ChEMBL_530350 (CHEMBL968446)	Inhibition of Wistar rat lens aldose reductase 2
50004024	2	ChEMBL_530357 (CHEMBL968453)	Inhibition of Wistar rat lens aldose reductase 2 using NADPH as substrate
50004024	3	ChEMBL_530351 (CHEMBL968447)	Inhibition of Wistar rat lens aldose reductase 2 using D,L-glyceraldehyde as substrate
50004025	1	ChEMBL_530359 (CHEMBL968455)	Inhibition of pig brain tubulin polymerization
50004026	1	ChEMBL_530371 (CHEMBL968467)	Inhibition of human HDAC in HeLa cells by flour de lys assay
50004027	1	ChEMBL_524021 (CHEMBL977607)	Inhibition of HIV1 recombinant integrase expressed in Escherichia coli
50004028	1	ChEMBL_525628 (CHEMBL973856)	Inhibition of Escherichia coli thymidine phosphorylase by spectrophotometry
50004029	1	ChEMBL_526035 (CHEMBL978410)	Inhibition of CPP32 peptidase activity
50004030	1	ChEMBL_526428 (CHEMBL971856)	Inhibition of HIV1 RT at 200 uM
50004031	1	ChEMBL_526505 (CHEMBL975656)	Inhibition of AChE
50004031	2	ChEMBL_526506 (CHEMBL975657)	Inhibition of COX2
50004031	3	ChEMBL_526504 (CHEMBL975655)	Inhibition of PTP1B
50004032	1	ChEMBL_527927 (CHEMBL975115)	Inhibition of 1,10 phenanthroline-induced HIF1 activation in human T47D cells by reporter gene assay
50004032	2	ChEMBL_527928 (CHEMBL975116)	Inhibition of hypoxia-induced HIF1 activation in human PC3 cells by reporter gene assay
50004032	3	ChEMBL_527926 (CHEMBL975114)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells by reporter gene assay
50004033	1	ChEMBL_549645 (CHEMBL1020264)	Inhibition of human muscle recombinant aldose reductase by spectrophotometry
50004034	1	ChEMBL_550337 (CHEMBL997327)	Inhibition of COX2 in mouse lung fibroblast assessed as PGE2 production by radioimmunoassay
50004035	1	ChEMBL_550357 (CHEMBL999911)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay
50004035	2	ChEMBL_550371 (CHEMBL999925)	Inhibition of hypoxia-induced HIF1 activation in human HeLa cells by luciferase reporter gene assay
50004036	1	ChEMBL_547376 (CHEMBL1023255)	Inhibition of human recombinant aldose reductase
50004037	1	ChEMBL_547420 (CHEMBL1026710)	Inhibition of HIV1 recombinant integrase expressed in Escherichia coli
50004038	1	ChEMBL_551122 (CHEMBL1007703)	Inhibition of sucrase
50004038	2	ChEMBL_551123 (CHEMBL1007704)	Inhibition of maltase
50004039	1	ChEMBL_527082 (CHEMBL980158)	Inhibition of human recombinant aldose reductase
50004040	1	ChEMBL_528222 (CHEMBL976939)	Inhibition of tyrosine kinase p56-lck
50004041	1	ChEMBL_529187 (CHEMBL974963)	Inhibition of peptidase activity of CPP32
50004042	1	ChEMBL_524406 (CHEMBL973768)	Inhibition of HIV1 protease
50004043	1	ChEMBL_525780 (CHEMBL969144)	Antibacterial activity against vancomycin-resistant Enterococcus faecalis ATCC 51299 after 18 hrs by broth dilution assay
50004044	1	ChEMBL_526045 (CHEMBL967263)	Inhibition of hypoxia-induced HIF1 activation in human AGS cells after 16 hrs by pGL3-HRE-luciferase reporter gene assay
50004045	1	ChEMBL_525570 (CHEMBL969981)	Inhibition of carboxypeptidase A
50004046	1	ChEMBL_526613 (CHEMBL979337)	Inhibition of HIV1 protease
50004047	1	ChEMBL_527308 (CHEMBL971950)	Inhibition of HIV1 protease
50004048	1	ChEMBL_527319 (CHEMBL972839)	Inhibition of HIV1 integrase strand transfer activity
50004048	2	ChEMBL_527318 (CHEMBL971960)	Inhibition of HIV1 integrase long terminal repeat cleavage activity
50004049	1	ChEMBL_527710 (CHEMBL975068)	Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in glucose medium by microtiter plate assay
50004049	2	ChEMBL_527709 (CHEMBL975067)	Inhibition of topoisomerase 1 in Saccharomyces cerevisiae RS321N in galactose medium by microtiter plate assay
50004050	1	ChEMBL_491409 (CHEMBL945372)	Inhibition of HTLV1 protease L40I mutant
50004051	1	ChEMBL_491715 (CHEMBL949570)	Inhibition of influenza virus neuraminidase
50004052	1	ChEMBL_487671 (CHEMBL1009439)	Inhibition of Hsp90 in human MCF7 cells assessed as Her2 level after 24 hrs by Western blot
50004052	2	ChEMBL_487670 (CHEMBL1009438)	Inhibition of Hsp90 in human MCF7 cell lysates assessed as interaction with Cy3b-conjugated geldanamycin by FP assay
50004053	1	ChEMBL_487797 (CHEMBL1019229)	Inhibition of HIV1 protease
50004055	1	ChEMBL_488507 (CHEMBL991040)	Inhibition of recombinant HIV1 integrase strand transfer activity
50004056	1	ChEMBL_488789 (CHEMBL985669)	Inhibition of HCV NS5B polymerase S282T mutant assessed as blocking of full length RNA product formation by single-nucleotide incorporation assay
50004057	1	ChEMBL_489999 (CHEMBL984662)	Inhibition of HIV1 reverse transcriptase by steady state nucleotide incorporation assay
50004057	2	ChEMBL_490001 (CHEMBL984664)	Inhibition of HIV1 reverse transcriptase M41L/D67N/L210W/T215Y mutant by steady state nucleotide incorporation assay
50004057	3	ChEMBL_490007 (CHEMBL984670)	Binding affinity to ternary complex of HIV1 reverse transcriptase with primer/template in presence of dCTP substrate
50004058	1	ChEMBL_490747 (CHEMBL994471)	Inhibition of HIV1 reverse transcriptase RNA-dependent DNA polymerase activity assessed as incorporation of radioactive dTTP into poly(rA)/oligo(DT)
50004059	1	ChEMBL_491043 (CHEMBL982903)	Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay
50004059	2	ChEMBL_491044 (CHEMBL982904)	Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay
50004059	3	ChEMBL_491046 (CHEMBL982906)	Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay
50004059	4	ChEMBL_491047 (CHEMBL982907)	Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay
50004059	5	ChEMBL_491050 (CHEMBL982910)	Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay
50004059	6	ChEMBL_491045 (CHEMBL982905)	Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay
50004060	1	ChEMBL_489692 (CHEMBL982997)	Inhibition of human recombinant POP expressed in sEscherichia coli
50004061	1	ChEMBL_513604 (CHEMBL967908)	Inhibition of human recombinant PTP1B catalytic domain
50004062	1	ChEMBL_514315 (CHEMBL979145)	Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay
50004062	2	ChEMBL_514314 (CHEMBL979144)	Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay
50004062	3	ChEMBL_514313 (CHEMBL979143)	Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay
50004063	1	ChEMBL_509632 (CHEMBL1003960)	Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophoresis
50004063	2	ChEMBL_509633 (CHEMBL1003961)	Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophoresis
50004064	1	ChEMBL_509668 (CHEMBL1004783)	Inhibition of recombinant HIV1 integrase 3'-end processing activity by gel-based assay in presence of magnesium
50004064	2	ChEMBL_509667 (CHEMBL1004782)	Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium
50004064	3	ChEMBL_509666 (CHEMBL1004781)	Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium
50004065	1	ChEMBL_514888 (CHEMBL972696)	Inhibition of HIV1 wild type integrase strand transfer activity
50004065	2	ChEMBL_514887 (CHEMBL972695)	Inhibition of HIV1 wild type integrase 3'-processing activity
50004066	1	ChEMBL_509880 (CHEMBL998725)	Inhibition of HIV1 integrase by overall integration assay
50004066	2	ChEMBL_509881 (CHEMBL998726)	Inhibition of HIV1 integrase 3'-processing activity
50004066	3	ChEMBL_509882 (CHEMBL998727)	Inhibition of HIV1 integrase DNA strand transfer activity
50004067	1	ChEMBL_510113 (CHEMBL998767)	Inhibition of sICAM1/LFA1 interaction-mediated human THP1 cell adhesion after 1 hr by ELISA
50004069	1	ChEMBL_510120 (CHEMBL998774)	Antagonist activity at HA-tagged mouse AT1a angiotensin 2 receptor expressed in HEK293T cells assessed as decrease in angiotensin 2-induced intracellular calcium uptake
50004070	1	ChEMBL_510213 (CHEMBL1004829)	Inhibition of HIV1 integrase by overall integration assay
50004070	2	ChEMBL_510218 (CHEMBL1004834)	Inhibition of HIV1 integrase catalyzed reactions
50004070	3	ChEMBL_510214 (CHEMBL1004830)	Inhibition of HIV1 integrase strand transfer activity
50004070	4	ChEMBL_510219 (CHEMBL1004835)	Inhibition of HIV1 integrase in presence of Mn2+
50004072	1	ChEMBL_510384 (CHEMBL999550)	Inhibition of pig brain tubulin polymerization
50004072	2	ChEMBL_510385 (CHEMBL999551)	Binding affinity to pig brain tubulin at 10 uM after 15 mins relative to control
50004073	1	ChEMBL_510667 (CHEMBL1005628)	Inhibition of pig pancreatic elastase
50004074	1	ChEMBL_511351 (CHEMBL1006480)	Inhibition of HIV1 integrase
50004075	1	ChEMBL_511359 (CHEMBL1006488)	Inhibition of HIV1 integrase 3' processing activity
50004075	2	ChEMBL_511360 (CHEMBL1006489)	Inhibition of HIV1 integrase strand transfer activity
50004078	1	ChEMBL_511617 (CHEMBL976264)	Inhibition of HIV1 protease
50004129	1	ChEMBL_512034 (CHEMBL970837)	Inhibition of rat brain protein kinase C
50004130	1	ChEMBL_513436 (CHEMBL977365)	Inhibition of voltage-dependent L-type calcium channel in rat thoracic aorta ring assessed as effect on high K+ induced contraction by Magnus method
50004132	1	ChEMBL_553669 (CHEMBL960462)	Inhibition of bocillin FL binding to Escherichia coli MC4100 penicillin-binding protein 2
50004132	2	ChEMBL_553662 (CHEMBL960455)	Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b
50004132	3	ChEMBL_553672 (CHEMBL960465)	Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 2
50004132	4	ChEMBL_553819 (CHEMBL966182)	Inhibition of bocillin FL binding to Pseudomonas aeruginosa PAO1 penicillin-binding protein 3
50004132	5	ChEMBL_553824 (CHEMBL966187)	Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 1
50004132	6	ChEMBL_553825 (CHEMBL966188)	Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 2
50004132	7	ChEMBL_553829 (CHEMBL966192)	Inhibition of bocillin FL binding to methicillin-resistant Staphylococcus aureus OC 3726 penicillin-binding protein 2a
50004132	8	ChEMBL_553827 (CHEMBL966190)	Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 4
50004132	9	ChEMBL_553826 (CHEMBL966189)	Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 3
50004133	1	ChEMBL_554861 (CHEMBL957238)	Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled form
50004133	2	ChEMBL_554862 (CHEMBL957239)	Inhibition of Staphylococcus aureus DNA gyrase gyrA S84L mutant supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled form
50004134	1	ChEMBL_555518 (CHEMBL963778)	Inhibition of Icmt using [3H]SAM as substrate
50004135	1	ChEMBL_553947 (CHEMBL966209)	Inhibition of recombinant SAK
50004135	2	ChEMBL_553948 (CHEMBL965366)	Inhibition of recombinant TIE2
50004135	3	ChEMBL_553943 (CHEMBL962876)	Inhibition of recombinant MET
50004135	4	ChEMBL_553949 (CHEMBL965367)	Inhibition of recombinant Aurora B phosphorylation in human HT29 cells
50004135	5	ChEMBL_553952 (CHEMBL965370)	Inhibition of recombinant FLT3 phosphorylation transfected in mouse embryonic fibroblast
50004135	6	ChEMBL_553934 (CHEMBL962867)	Inhibition of recombinant EPHB4
50004135	7	ChEMBL_553935 (CHEMBL962868)	Inhibition of recombinant ERBB2
50004135	8	ChEMBL_553936 (CHEMBL962869)	Inhibition of recombinant FAK
50004135	9	ChEMBL_553811 (CHEMBL966174)	Inhibition of recombinant AKT1
50004135	10	ChEMBL_553816 (CHEMBL966179)	Inhibition of recombinant CDK2/CycA
50004135	11	ChEMBL_553818 (CHEMBL966181)	Inhibition of recombinant COT
50004135	12	ChEMBL_553937 (CHEMBL962870)	Inhibition of recombinant IGF1R
50004135	13	ChEMBL_553938 (CHEMBL962871)	Inhibition of recombinant SRC
50004135	14	ChEMBL_553941 (CHEMBL962874)	Inhibition of recombinant FLT3
50004135	15	ChEMBL_553942 (CHEMBL962875)	Inhibition of recombinant INSR
50004135	16	ChEMBL_553945 (CHEMBL962878)	Inhibition of recombinant PLK1
50004135	17	ChEMBL_553946 (CHEMBL962879)	Inhibition of recombinant CK2alpha1
50004135	18	ChEMBL_553939 (CHEMBL962872)	Inhibition of recombinant VEGFR2
50004135	19	ChEMBL_553940 (CHEMBL962873)	Inhibition of recombinant VEGFR3
50004135	20	ChEMBL_553944 (CHEMBL962877)	Inhibition of recombinant PDGFRbeta
50004135	21	ChEMBL_553814 (CHEMBL966177)	Inhibition of recombinant Aurora B
50004135	22	ChEMBL_553815 (CHEMBL966178)	Inhibition of recombinant B-RAF-V600E mutant
50004135	23	ChEMBL_553817 (CHEMBL966180)	Inhibition of recombinant CDK4/CycD1
50004135	24	ChEMBL_553933 (CHEMBL962866)	Inhibition of recombinant EGFR
50004135	25	ChEMBL_553812 (CHEMBL966175)	Inhibition of recombinant ARK5
50004135	26	ChEMBL_553813 (CHEMBL966176)	Inhibition of recombinant Aurora A
50004135	27	ChEMBL_553951 (CHEMBL965369)	Inhibition of recombinant VEGFR2 phosphorylation in human HUE cells
50004135	28	ChEMBL_553950 (CHEMBL965368)	Inhibition of recombinant IGF1R phosphorylation transfected in mouse embryonic fibroblast
50004136	1	ChEMBL_554807 (CHEMBL953960)	Inhibition of IleRS
50004137	1	ChEMBL_491163 (CHEMBL992851)	Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells
50004138	1	ChEMBL_491541 (CHEMBL937811)	Inhibition of recombinant HIV1 protease
50004140	1	ChEMBL_535423 (CHEMBL984452)	Inhibition of Hsp90 in human SKBR3 cells assessed as interaction with Cy3b-conjugated geldanamycin by FP assay
50004140	2	ChEMBL_535427 (CHEMBL984456)	Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradation after 24 hrs by Western blot
50004141	1	ChEMBL_535569 (CHEMBL987043)	Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate
50004142	1	ChEMBL_535794 (CHEMBL991559)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 0.1 mg/ml
50004142	2	ChEMBL_535795 (CHEMBL991560)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 0.5 mg/ml
50004142	3	ChEMBL_535796 (CHEMBL991561)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 1.0 mg/ml
50004142	4	ChEMBL_535792 (CHEMBL991557)	Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 5 ug/ml
50004143	1	ChEMBL_536337 (CHEMBL993494)	Inhibition of wild-type HIV1 integrase 3'-end processing activity
50004143	2	ChEMBL_536338 (CHEMBL994256)	Inhibition of wild-type HIV1 integrase strand transfer activity
50004144	1	ChEMBL_537410 (CHEMBL992600)	Inhibition of polymerase activity of HIV1 RT
50004145	1	ChEMBL_537468 (CHEMBL990633)	Inhibition of HIV1 protease
50004147	1	ChEMBL_536041 (CHEMBL991611)	Agonist activity at human PPARalpha expressed in human MCF7 cells coexpressing TIF2 by luciferase reporter gene assay
50004148	1	ChEMBL_561281 (CHEMBL1016229)	Inhibition of HIV1 integrase 3'-end processing activity
50004148	2	ChEMBL_561282 (CHEMBL1016230)	Inhibition of HIV1 integrase strand transfer activity
50004148	3	ChEMBL_561275 (CHEMBL1016223)	Inhibition of HIV1 integrase
50004148	4	ChEMBL_561277 (CHEMBL1016225)	Inhibition of HIV1 reverse transcriptase
50004149	1	ChEMBL_557536 (CHEMBL954979)	Inhibition of GST-tagged PTP1B
50004150	1	ChEMBL_559681 (CHEMBL1010079)	Inhibition of HIV1 3B reverse transcriptase
50004151	1	ChEMBL_559817 (CHEMBL1020688)	Inhibition of HIV1 integrase activity by ELISA
50004151	2	ChEMBL_559818 (CHEMBL1020689)	Inhibition of HIV1 integrase strand transfer activity by ELISA
50004152	1	ChEMBL_511945 (CHEMBL980033)	Inhibition of HIV1 3B reverse transcriptase activity
50004152	2	ChEMBL_511957 (CHEMBL967168)	Inhibition of HIV1 3B recombinant protease
50004153	1	ChEMBL_512164 (CHEMBL968023)	Inhibition of pig brain GSK3alpha/beta
50004154	1	ChEMBL_513251 (CHEMBL980887)	Displacement of [125I]IMPY from beta-amyloid plaques in AD patient brain
50004155	1	ChEMBL_512033 (CHEMBL970836)	Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes
50004156	1	ChEMBL_539717 (CHEMBL1031566)	Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity
50004156	2	ChEMBL_539724 (CHEMBL1032350)	Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity at 616 nM using rA.dT substrate by steady state kinetic assay
50004156	3	ChEMBL_539719 (CHEMBL1031568)	Inhibition of DNA dependent DNA polymerase activity of HIV1 reverse transcriptase Y181C mutant expressed in Escherichia coli BL21
50004156	4	ChEMBL_539716 (CHEMBL1031565)	Inhibition of RNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity
50004156	5	ChEMBL_539723 (CHEMBL1032349)	Inhibition of DNA dependent DNA polymerase activity of HIV1 BH10 recombinant reverse transcriptase p66/p51 assessed as residual enzyme activity at 616 nM using dTTP substrate by steady state kinetic assay
50004157	1	ChEMBL_538755 (CHEMBL1024874)	Inhibition of wild type HIV1 protease by enzyme inhibition
50004157	2	ChEMBL_538756 (CHEMBL1024875)	Inhibition of wild type HIV1 protease by competitive binding
50004157	3	ChEMBL_538759 (CHEMBL1024878)	Inhibition of HIV1 protease V32I mutant by competitive binding
50004157	4	ChEMBL_538754 (CHEMBL1024873)	Inhibition of wild type HIV1 protease by uncompetitive binding
50004157	5	ChEMBL_538757 (CHEMBL1024876)	Inhibition of HIV1 protease V32I mutant by uncompetitive binding
50004157	6	ChEMBL_538758 (CHEMBL1024877)	Inhibition of HIV1 protease V32I mutant by enzyme inhibition
50004159	1	ChEMBL_538915 (CHEMBL1033960)	Inhibition of Candida albicans isocitrate lyase
50004160	1	ChEMBL_539233 (CHEMBL1025565)	Inhibition of wild type HIV1 protease
50004161	1	ChEMBL_539252 (CHEMBL1025584)	Inhibition of HIV1 RT polymerase Y181C mutant by SPA
50004161	2	ChEMBL_539250 (CHEMBL1025582)	Inhibition of wild type HIV1 RT polymerase by SPA
50004161	3	ChEMBL_539251 (CHEMBL1025583)	Inhibition of HIV1 RT polymerase K103N mutant by SPA
50004162	1	ChEMBL_495531 (CHEMBL1007190)	Inhibition of Hsp90 in human SKBR3 cells assessed as down-regulation of Her2 protein by ELISA
50004163	1	ChEMBL_495302 (CHEMBL1006294)	Inhibition of Aurora kinase A T288D mutant expressed in Escherichia coli BL21 DE3
50004164	1	ChEMBL_495352 (CHEMBL995940)	Inhibition of CYP3A4
50004165	1	ChEMBL_495562 (CHEMBL996841)	Displacement of [125I]IMPY from beta-amyloid plaques in Alzheimer's disease patient brain homogenate
50004166	1	ChEMBL_496040 (CHEMBL998470)	Displacement of [3H]Colchicine from pig biotinylated tubulin after 2 hrs by SPA
50004166	2	ChEMBL_495611 (CHEMBL1000303)	Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay
50004166	3	ChEMBL_496041 (CHEMBL998471)	Displacement of [3H]paclitaxel from pig biotinylated tubulin after 2 hrs by SPA
50004167	1	ChEMBL_518620 (CHEMBL962765)	Inhibition of HIV1 protease by continuous fluorometric assay
50004167	2	ChEMBL_518621 (CHEMBL962766)	Inhibition of HIV1 protease dimerization by Zhang-Poorman kinetic assay
50004167	3	ChEMBL_518623 (CHEMBL962768)	Inhibition of HIV1 protease by competitive inhibition assay
50004168	1	ChEMBL_519245 (CHEMBL946684)	Inhibition of HIV1 integrase by ELISA
50004169	1	ChEMBL_519250 (CHEMBL946689)	Inhibition of histone deacetylase in human HeLa cells assessed as induction of histone H3 hyperacetylation
50004170	1	ChEMBL_518729 (CHEMBL957104)	Inhibition of human gamma secretase assessed as effect on C100Flag substrate cleavage
50004171	1	ChEMBL_516200 (CHEMBL984240)	Agonist activity at alpha2 adrenoceptor in human cortical membrane after 2 hrs by [35S]GTPgammaS binding assay
50004171	2	ChEMBL_516198 (CHEMBL984238)	Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry
50004171	3	ChEMBL_516199 (CHEMBL984239)	Binding affinity to alpha2 adrenoceptor in human cortical membrane
50004172	1	ChEMBL_516593 (CHEMBL988680)	Inhibition of wild type HIV1 free reverse transcriptase
50004172	2	ChEMBL_516594 (CHEMBL988681)	Inhibition of wild type HIV1 reverse transcriptase-DNA binary complex
50004172	3	ChEMBL_516595 (CHEMBL988682)	Inhibition of wild type HIV1 reverse transcriptase-DNA-dNTP ternary complex
50004172	4	ChEMBL_516596 (CHEMBL988683)	Inhibition of HIV1 recombinant free reverse transcriptase K103N mutant expressed in Escherichia coli BL21
50004172	5	ChEMBL_516597 (CHEMBL988684)	Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21
50004172	6	ChEMBL_516598 (CHEMBL988685)	Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA-dNTP ternary complex expressed in Escherichia coli BL21
50004172	7	ChEMBL_516592 (CHEMBL988679)	Binding affinity to HIV1 reverse transcriptase treated for 3 mins by surface plasmon resonance
50004173	1	ChEMBL_517093 (CHEMBL988698)	Displacement of [125I]IMPY from beta-amyloid plaques in Alzheimer's disease patient brain homogenate
50004174	1	ChEMBL_517105 (CHEMBL989568)	Inhibition of Staphylococcus aureus DNA gyrase
50004175	1	ChEMBL_517306 (CHEMBL1031359)	Inhibition of HIV1 protease Q7K mutant by FRET method
50004176	1	ChEMBL_497316 (CHEMBL995878)	Inhibition of human recombinant PDE7 expressed in Saccharomyces cerevisiae
50004177	1	ChEMBL_492704 (CHEMBL938504)	Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR
50004178	1	ChEMBL_492881 (CHEMBL942212)	Inhibition of Hsp90 in human H1299 cells after 24 hrs by Akt luminex assay
50004178	2	ChEMBL_492882 (CHEMBL942213)	Inhibition of Hsp90 in human MDA-MB-231 cells assessed as Akt degradation
50004178	3	ChEMBL_492883 (CHEMBL942214)	Inhibition of Hsp90 in human MDA-MB-231 cells assessed as her2 degradation
50004178	4	ChEMBL_492885 (CHEMBL942216)	Inhibition of Hsp90 in human A2058 cells assessed as Akt degradation
50004178	5	ChEMBL_492887 (CHEMBL942218)	Inhibition of Hsp90 in human A2058 cells
50004179	1	ChEMBL_493203 (CHEMBL947418)	Inhibition of Taq DNA polymerase
50004180	1	ChEMBL_541098 (CHEMBL1034081)	Inhibition on HIV1 reverse transcriptase p66/p51
50004181	1	ChEMBL_543132 (CHEMBL1014292)	Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay
50004182	1	ChEMBL_543620 (CHEMBL1011645)	Inhibition of HIV1 3B reverse transcriptase after 30 mins
50004182	2	ChEMBL_543621 (CHEMBL1011646)	Activity at HIV1 non-nucleoside reverse transcriptase
50004183	1	ChEMBL_542167 (CHEMBL1010774)	Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli
50004184	1	ChEMBL_542580 (CHEMBL1014176)	Inhibition of Staphylococcus aureus FtsZ GTPase activity
50004185	1	ChEMBL_542591 (CHEMBL1014187)	Inhibition of HIV1 integrase 3' processing activity by PAGE
50004185	2	ChEMBL_542592 (CHEMBL1014188)	Inhibition of HIV1 integrase strand transfer activity by PAGE
50004186	1	ChEMBL_566968 (CHEMBL964904)	Inhibition of human FTase
50004187	1	ChEMBL_566016 (CHEMBL964115)	Inhibition of FabF-mediated type 2 fatty acid synthesis in Staphylococcus aureus by cell free assay
50004188	1	ChEMBL_566801 (CHEMBL957610)	Inhibition of HIV1 recombinant integrase strand transfer activity
50004189	1	ChEMBL_567076 (CHEMBL1030755)	Inhibition of HIV1 integrase strand transfer activity
50004189	2	ChEMBL_567077 (CHEMBL1030756)	Inhibition of HIV1 integrase 3' processing activity
50004190	1	ChEMBL_562800 (CHEMBL1018880)	Inhibition of ovine COX1 by colorimetric assay
50004190	2	ChEMBL_562801 (CHEMBL1018881)	Inhibition of ovine COX2 by colorimetric assay
50004191	1	ChEMBL_563140 (CHEMBL1009068)	Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting
50004191	2	ChEMBL_563130 (CHEMBL1009058)	Inhibition of L-type calcium channel in Wistar rat tail artery smooth muscle cells assessed as blockade of barium-sensitive inward rectifying current by whole cell patch-clamp assay
50004192	1	ChEMBL_563518 (CHEMBL961805)	Inhibition of Escherichia coli thymidine phosphorylase
50004193	1	ChEMBL_563677 (CHEMBL964238)	Inhibition of HIV1 protease by HPLC method
50004194	1	ChEMBL_564789 (CHEMBL954255)	Inhibition of HIV1 reverse transcriptase p66/p51
50004200	1	ChEMBL_544291 (CHEMBL1020429)	Inhibition of HIV1 protease
50004200	2	ChEMBL_544292 (CHEMBL1020430)	Inhibition of HIV1 protease by fluorescent peptide substrate based assay
50004201	1	ChEMBL_543751 (CHEMBL1020342)	Binding affinity to HIV1 wild type reverse transcriptase p66/p51 expressed in Escherichia coli assessed as incorporation of drug to DNA by gel electrophoresis
50004201	2	ChEMBL_543748 (CHEMBL1020339)	Inhibition of HIV1 wild type reverse transcriptase p66/p51 expressed in Escherichia coli using calf thymus DNA substrate
50004203	1	ChEMBL_540030 (CHEMBL1033121)	Inhibition of HIV1 integrase using U5A/U5B double-stranded DNA as substrate by ELISA
50004203	2	ChEMBL_540033 (CHEMBL1033124)	Inhibition of HIV1 integrase using U5A/U5B double-stranded DNA as substrate by ELISA in presence of BSA
50004204	1	ChEMBL_544386 (CHEMBL1016883)	Inhibition of HIV1 integrase 3'-end processing activity
50004204	2	ChEMBL_544387 (CHEMBL1016884)	Inhibition of HIV1 integrase strand transfer activity
50004204	3	ChEMBL_544388 (CHEMBL1016885)	Inhibition of HIV1 integrase Y99S mutant 3'-end processing activity
50004204	4	ChEMBL_544389 (CHEMBL1016886)	Inhibition of HIV1 integrase Y99S mutant strand transfer activity
50004204	5	ChEMBL_544390 (CHEMBL1016887)	Inhibition of HIV1 integrase H114A mutant 3'-end processing activity
50004204	6	ChEMBL_544391 (CHEMBL1016888)	Inhibition of HIV1 integrase H114A mutant strand transfer activity
50004204	7	ChEMBL_544392 (CHEMBL1016889)	Inhibition of HIV1 integrase 3'-end processing activity in presence of magnesium
50004204	8	ChEMBL_544393 (CHEMBL1016890)	Inhibition of HIV1 integrase strand transfer activity in presence of magnesium
50004205	1	ChEMBL_540456 (CHEMBL1029073)	Inhibition of CDK4-mediated retinoblastoma protein phosphorylation by dose-response curve analysis
50004205	2	ChEMBL_540457 (CHEMBL1029074)	Inhibition of CDK2-mediated retinoblastoma protein phosphorylation by dose-response curve analysis
50004206	1	ChEMBL_499569 (CHEMBL1025437)	Inhibition of HIV1 protease by FRET assay
50004206	2	ChEMBL_499571 (CHEMBL1025439)	Inhibition of HIV1 protease by Hanes method
50004206	3	ChEMBL_499572 (CHEMBL1025440)	Inhibition of HIV1 protease by Dixon method
50004206	4	ChEMBL_499570 (CHEMBL1025438)	Inhibition of HIV1 protease by Lineweaver-Burke method
50004207	1	ChEMBL_523678 (CHEMBL997193)	Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay
50004208	1	ChEMBL_523421 (CHEMBL997213)	Inhibition of HIV1 integrase using labelled oligonucleotide substrate by ELISA
50004208	2	ChEMBL_523422 (CHEMBL997214)	Inhibition of HIV1 integrase 3'-processing activity using labelled oligonucleotide substrate by ELISA
50004208	3	ChEMBL_523423 (CHEMBL1008275)	Inhibition of HIV1 integrase strand transfer activity using labelled oligonucleotide substrate by ELISA
50004209	1	ChEMBL_523485 (CHEMBL1004935)	Binding affinity to Trypanosoma cruzi lanosterol 14-alpha-demethylase expressed in Escherichia coli assessed as equilibrium dissociation constant for enzyme-inhibitor complex by difference spectroscopy
50004210	1	ChEMBL_523244 (CHEMBL1000620)	Inhibition of BRAF V600E mutant
50004210	2	ChEMBL_523245 (CHEMBL1000621)	Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human WM266.4 cells
50004211	1	ChEMBL_520250 (CHEMBL955397)	Inhibition of NorA efflux pump in Staphylococcus aureus K3092 assessed as inhibition of EtBr efflux
50004212	1	ChEMBL_520671 (CHEMBL965235)	Inhibition of SARS Coronavirus 3C-like protease expressed in Escherichia coli
50004213	1	ChEMBL_521669 (CHEMBL999680)	Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3)
50004213	2	ChEMBL_521654 (CHEMBL998901)	Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by Michaelis-Menten based competitive inhibition assay
50004214	1	ChEMBL_521101 (CHEMBL960362)	Inhibition of Helicobacter pylori ATCC 43504 urease assessed as ammonia production by indophenol method
50004215	1	ChEMBL_521749 (CHEMBL1005039)	Inhibition of HIV1 reverse transcriptase
50004216	1	ChEMBL_522305 (CHEMBL1002439)	Displacement of [125I]IMPY from beta-amyloid plaques in brain homogenate of patient with Alzheimer's disease by gamma counting
50004217	1	ChEMBL_545024 (CHEMBL1016320)	Inhibition of HIV1 reverse transcriptase
50004218	1	ChEMBL_545205 (CHEMBL1018956)	Inhibition of wild-type HIV1 reverse transcriptase
50004219	1	ChEMBL_545941 (CHEMBL1024276)	Inhibition of HIV1 reverse transcriptase after 1 hr by ELISA
50004220	1	ChEMBL_545151 (CHEMBL1018093)	Inhibition of HIV1 RT
50004220	2	ChEMBL_545152 (CHEMBL1018094)	Inhibition of HIV1 RT using poly A oligo(dT) template primer
50004221	1	ChEMBL_545624 (CHEMBL1033264)	Inhibition of HIV1 reverse transcriptase
50004221	2	ChEMBL_545631 (CHEMBL1033271)	Inhibition of HIV1 integrase-catalyzed disintegration activity
50004221	3	ChEMBL_545634 (CHEMBL1033274)	Inhibition of HIV1 integrase strand transfer activity
50004221	4	ChEMBL_545637 (CHEMBL1033277)	Inhibition of HIV1 protease expressed in Escherichia coli
50004221	5	ChEMBL_545787 (CHEMBL1033293)	Inhibition of HIV1 integrase 3' processing activity
50004222	1	ChEMBL_501385 (CHEMBL1010568)	Inhibition of HDAC in human SHSY5Y cells by fluorimetric cellular activity assay
50018290	6	ChEMBL_2268800	Inhibition of Staphylococcus aureus SrtA
50018290	7	ChEMBL_2268801	Inhibition of Staphylococcus aureus SrtA expressed in Escherichia coli by fluorescence based analysis
50018290	8	ChEMBL_2268802	Inhibition of Staphylococcus aureus ATCC 6538p SrtA using dabcyl-LPETG-edans as substrate incubated for 1 hr by fluorometric analysis
50018290	9	ChEMBL_2268803	Inhibition of recombinant Staphylococcus aureus SrtA using DabcylQALPETGEE-Edans as substrate by FRET assay
50018290	10	ChEMBL_2268804	Inhibition of recombinant Staphylococcus mutans UA159 SrtA using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by fluorometric analysis
50018290	11	ChEMBL_2268805	Inhibition of recombinant Staphylococcus aureus ATCC 6538p SrtA expressed in Escherichia coli TOP10 using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by fluorometric analysis
50004224	1	ChEMBL_499902 (CHEMBL978960)	Inhibition of 1,3-beta-D-glucan synthase EMFR-S678P mutant from Aspergillus fumigatus assessed as incorporation of [3H]glucose
50004225	1	ChEMBL_499472 (CHEMBL1018501)	Inhibition of HIV1 recombinant reverse transcriptase assessed as incorporation of [32P]GTP into poly(rC).oligo(dG) (rCdG) homopolymer template primer
50004226	1	ChEMBL_501126 (CHEMBL978904)	Inhibition of recombinant HIV1 reverse transcriptase in cell free Quan-T-RT by scintillation proximity assay
50004226	2	ChEMBL_501124 (CHEMBL978902)	Cytotoxicity against human NB-1 cells by MTT assay
50004227	1	ChEMBL_572556 (CHEMBL1025172)	Inhibition of HDAC from human HeLa cells assessed as of histone H3 acetylation
50004227	2	ChEMBL_572563 (CHEMBL1025179)	Inhibition of LSD1
50004228	1	ChEMBL_572644 (CHEMBL1026068)	Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening
50004228	2	ChEMBL_572659 (CHEMBL1026858)	Inhibition of Hsp90 in human A375 cells assessed as pS6 degradation after 24 hrs by high content screening
50004228	3	ChEMBL_572660 (CHEMBL1026859)	Inhibition of Hsp90 in human AU565 cells assessed as pERK degradation after 24 hrs by high content screening
50004228	4	ChEMBL_572658 (CHEMBL1026857)	Inhibition of Hsp90 in human A375 cells assessed as Hsp70 induction after 24 hrs by high content screening
50004229	1	ChEMBL_571770 (CHEMBL1033786)	Inhibition of HIV1 integrase strand transfer activity
50004230	1	ChEMBL_574490 (CHEMBL1030329)	Inhibition of HIV1 recombinant integrase by electrochemiluminescent-based high-throughput strand transfer assay
50004231	1	ChEMBL_573857 (CHEMBL1056199)	Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-luciferase reporter gene assay
50004231	2	ChEMBL_573855 (CHEMBL1055397)	Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis
50004232	1	ChEMBL_574347 (CHEMBL1027878)	Inhibition of carboxypeptidase A
50004233	1	ChEMBL_574953 (CHEMBL1026233)	Inhibition of recombinant VEGFR3
50004233	2	ChEMBL_574955 (CHEMBL1026235)	Inhibition of recombinant INSR
50004233	3	ChEMBL_574939 (CHEMBL1026219)	Inhibition of recombinant ARK5
50004233	4	ChEMBL_574944 (CHEMBL1026224)	Inhibition of recombinant CDK4/CycD1
50004233	5	ChEMBL_574952 (CHEMBL1026232)	Inhibition of recombinant VEGFR2
50004233	6	ChEMBL_574963 (CHEMBL1026243)	Inhibition of recombinant TIE2
50004233	7	ChEMBL_574940 (CHEMBL1026220)	Inhibition of recombinant Aurora A
50004233	8	ChEMBL_574954 (CHEMBL1026234)	Inhibition of recombinant FLT3
50004233	9	ChEMBL_574946 (CHEMBL1026226)	Inhibition of recombinant EGFR
50004233	10	ChEMBL_574941 (CHEMBL1026221)	Inhibition of recombinant Aurora B
50004233	11	ChEMBL_574938 (CHEMBL1026218)	Inhibition of recombinant AKT1
50004233	12	ChEMBL_574958 (CHEMBL1026238)	Inhibition of recombinant PLK1
50004233	13	ChEMBL_574948 (CHEMBL1026228)	Inhibition of recombinant ERBB2
50004233	14	ChEMBL_574945 (CHEMBL1026225)	Inhibition of recombinant COT
50004233	15	ChEMBL_574956 (CHEMBL1026236)	Inhibition of recombinant MET
50004233	16	ChEMBL_574949 (CHEMBL1026229)	Inhibition of recombinant FAK
50004233	17	ChEMBL_574947 (CHEMBL1026227)	Inhibition of recombinant EPHB4
50004233	18	ChEMBL_574943 (CHEMBL1026223)	Inhibition of recombinant CDK2/CycA
50004233	19	ChEMBL_574942 (CHEMBL1026222)	Inhibition of recombinant B-RAF-V600E mutant
50004233	20	ChEMBL_574959 (CHEMBL1026239)	Inhibition of recombinant CK2alpha1
50004233	21	ChEMBL_574957 (CHEMBL1026237)	Inhibition of recombinant PDGFRbeta
50004233	22	ChEMBL_574950 (CHEMBL1026230)	Inhibition of recombinant IGF1R
50004233	23	ChEMBL_574951 (CHEMBL1026231)	Inhibition of recombinant SRC
50004233	24	ChEMBL_574960 (CHEMBL1026240)	Inhibition of recombinant SAK
50004234	1	ChEMBL_575371 (CHEMBL1027045)	Inhibition of Escherichia coli type I signal peptidase lepB
50004235	1	ChEMBL_575375 (CHEMBL1027049)	Inhibition of SARS coronavirus 3CL protease pretreated for 10 mins before substrate addition
50004236	1	ChEMBL_575603 (CHEMBL1036448)	Inhibition of HIV1 integrase 3'-processing activity in presence of magnesium
50004236	2	ChEMBL_575604 (CHEMBL1024560)	Inhibition of HIV1 integrase strand transfer activity in presence of magnesium
50004237	1	ChEMBL_576286 (CHEMBL1030288)	Inhibition of HSP90 in human SKBR3 cells assessed as induction of Her2 degradation
50004238	1	ChEMBL_576754 (CHEMBL1032021)	Inhibition of Escherichia coli signal peptidase
50004239	1	ChEMBL_573143 (CHEMBL1054648)	Antagonist activity at kappa opioid receptor by [35S]GTPgammaS binding assay
50004239	2	ChEMBL_573141 (CHEMBL1054646)	Agonist activity at kappa opioid receptor by [35S]GTPgammaS binding assay
50004240	1	ChEMBL_573312 (CHEMBL1058690)	Inhibition of HIF1 activation in human U251 cells stably transfected in pGL2-TK-HRE plasmid under hypoxic condition after 16 to 24 hrs by luciferase reporter gene assay
50004241	1	ChEMBL_573465 (CHEMBL1063018)	Inhibition of Bak binding to Mcl-1 by FRET assay
50004242	1	ChEMBL_578914 (CHEMBL1058780)	Inhibition of HCV genotype 1a NS3 protease V36M mutant expressed in Escherichia coli BL21 (DE3)
50004242	2	ChEMBL_578916 (CHEMBL1058782)	Inhibition of HCV genotype 1a NS3 protease V36M/R155K double mutant expressed in Escherichia coli BL21 (DE3)
50004242	3	ChEMBL_578915 (CHEMBL1058781)	Inhibition of HCV genotype 1a NS3 protease V36L mutant expressed in Escherichia coli BL21 (DE3)
50004243	1	ChEMBL_579137 (CHEMBL1052432)	Inhibition of HIV1 (isolate YU2) envelope glycoprotein 120-mediated membrane fusion between virus-transfected african green monkey COS cells and human TZM-bl cells by luciferase-based cell-cell fusion assay in absence of IC9564
50004243	2	ChEMBL_579138 (CHEMBL1052433)	Inhibition of HIV1 (isolate YU2) envelope glycoprotein 120-mediated membrane fusion between virus-transfected african green monkey COS cells and human TZM-bl cells by luciferase-based cell-cell fusion assay in presence of IC9564
50004244	1	ChEMBL_579310 (CHEMBL1054761)	Inhibition of HIV1 reverse transcriptase K103N mutant assessed as 32P-labeled GMP incorporation into nascent DNA strand
50004244	2	ChEMBL_579309 (CHEMBL1054760)	Inhibition of wild type HIV1 reverse transcriptase assessed as 32P-labeled GMP incorporation into nascent DNA strand
50004245	1	ChEMBL_577818 (CHEMBL1055469)	Binding affinity to human His-tagged acetyl-CoA-carboxylase biotin carboxylase domain
50004246	1	ChEMBL_579183 (CHEMBL1055573)	Inhibition of human RCE1
50004247	1	ChEMBL_579575 (CHEMBL1062363)	Inhibition of HIV1 recombinant integrase strand transfer activity treated after enzyme assembly and washing
50004248	1	ChEMBL_580392 (CHEMBL1064150)	Inhibition of HCV NS5B polymerase S282T mutant assessed as incorporation of [alpha32P]UTP into newly synthesized RNA by liquid scintillation counting
50004249	1	ChEMBL_582068 (CHEMBL1060787)	Inhibition of BODIPY-cyclopamine to Smo in human HEK293 Flag-Smo cells in presence of 2% FCS
50004250	1	ChEMBL_581398 (CHEMBL1053305)	Inhibition of HIV1 recombinant RNA-dependent DNA polymerase activity of reverse transcriptase assessed as incorporation of radioactive dTTP into poly(rA)/oligo(dT)
50004251	1	ChEMBL_581486 (CHEMBL1057308)	Inhibition of HIV1 integrase assessed as inhibition of strand transfer activity by 32P-labelled assay
50004251	2	ChEMBL_581485 (CHEMBL1057307)	Inhibition of HIV1 integrase assessed as inhibition of 3'-end processing by 32P-labelled assay
50004252	1	ChEMBL_583224 (CHEMBL1055023)	Inhibition of ALR2 from Sprague-Dawley albino rat lens extract by spectrophotometrically
50004253	1	ChEMBL_583929 (CHEMBL1061780)	Binding affinity to wild type HIV1 LAI reverse transcriptase
50004253	2	ChEMBL_583931 (CHEMBL1061782)	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant
50004253	3	ChEMBL_583932 (CHEMBL1061783)	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant
50004253	4	ChEMBL_583930 (CHEMBL1061781)	Binding affinity to HIV1 LAI reverse transcriptase M184V mutant
50004253	5	ChEMBL_583935 (CHEMBL1061786)	Binding affinity to HIV1 LAI reverse transcriptase M184V mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA template/primer duplex chain at 100 uM by gel shift mobility assay
50004253	6	ChEMBL_583936 (CHEMBL1061787)	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA template/primer duplex chain at 100 uM by gel shift mobility assay
50004253	7	ChEMBL_583937 (CHEMBL1061788)	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA template/primer duplex chain at 100 uM by gel shift mobility assay
50004253	8	ChEMBL_583943 (CHEMBL1062617)	Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/K65R mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA template/primer duplex chain at 100 uM by gel shift mobility assay
50004253	9	ChEMBL_583934 (CHEMBL1061785)	Binding affinity to wild type HIV1 LAI reverse transcriptase assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA template/primer duplex chain at 100 uM by gel shift mobility assay
50004254	1	ChEMBL_584441 (CHEMBL1056712)	Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium
50004254	2	ChEMBL_584442 (CHEMBL1056713)	Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli BL21 (DE3) by gel based assay in presence of magnesium
50004255	1	ChEMBL_585784 (CHEMBL1060098)	Inhibition of recombinant HIV-1 integrase strand transfer activity
50004256	1	ChEMBL_587468 (CHEMBL1042189)	Inhibition of Magnaporthe grisea isocitrate lyase
50004257	1	ChEMBL_587433 (CHEMBL1042154)	Displacement of [3H](S)-5-chloro-N-(3-ethyl-1-hydroxypentan-2-yl)thiophene-2-sulfonamide from gamma secretase in human SH-SY5Y cells after 1 hr
50004258	1	ChEMBL_588446 (CHEMBL1040344)	Inhibition of HIV1 integrase strand transfer activity
50004259	1	ChEMBL_591809 (CHEMBL1041549)	Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rC)-oligo)dG) as template
50004260	1	ChEMBL_592351 (CHEMBL1048477)	Modulation of P-gp overexpressed in human A2780 cells assessed as daunorubicin accumulation preincubated 15 mins prior to daunorubicin addition measured after 180 mins by fluorescence assay
50004261	1	ChEMBL_590263 (CHEMBL1052798)	Inhibition of HIV1 protease by FRET-based assay
50004262	1	ChEMBL_591902 (CHEMBL1050035)	Inhibition of DevR region-dependent narK2 promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay
50004262	2	ChEMBL_591901 (CHEMBL1050034)	Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay
50004262	3	ChEMBL_591894 (CHEMBL1045964)	Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA
50004262	4	ChEMBL_591903 (CHEMBL1050036)	Inhibition of DevR region-dependent hspX promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay
50004263	1	ChEMBL_589117 (CHEMBL1038470)	Binding affinity to Bcl-XL BH3 domain
50004264	1	ChEMBL_589122 (CHEMBL1038475)	Inhibition of catalase in Wistar rat brain
50004265	1	ChEMBL_590070 (CHEMBL1043899)	Inhibition of HIV1 integrase expressed in Escherichia coli assessed as strand transfer activity by scintillation proximity assay
50004266	1	ChEMBL_590092 (CHEMBL1044771)	Displacement of [125I]IMPY from beta-amyloid plaques in Alzheimer's disease patient brain homogenate
50004267	1	ChEMBL_593566 (CHEMBL1036996)	Inhibition of HIV1 protease
50004267	2	ChEMBL_593561 (CHEMBL1036991)	Inhibition of HIV1 recombinant protease by fluorometric assay
50004268	1	ChEMBL_593880 (CHEMBL1037773)	Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay
50004269	1	ChEMBL_594343 (CHEMBL1048541)	Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay
50004269	2	ChEMBL_594352 (CHEMBL1048550)	Inhibition of HIV1 protease L63P, V82T, I84V mutant
50004270	1	ChEMBL_591271 (CHEMBL1052925)	Displacement of [3H]Clonidine from alpha2 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting
50004270	2	ChEMBL_591270 (CHEMBL1056908)	Displacement of [3H]Prazosin from alpha1 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting
50004272	1	ChEMBL_598757 (CHEMBL1040172)	Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay
50004273	1	ChEMBL_598989 (CHEMBL1049936)	Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli by PAGE
50004273	2	ChEMBL_598988 (CHEMBL1049935)	Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli by PAGE
50004274	1	ChEMBL_598996 (CHEMBL1041920)	Inhibition of HIV1 HXB2 protease L90M mutant
50004274	2	ChEMBL_598995 (CHEMBL1041919)	Inhibition of wild type HIV1 HXB2 protease
50004275	1	ChEMBL_600438 (CHEMBL1043776)	Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry
50004276	1	ChEMBL_600545 (CHEMBL1049070)	Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity
50004277	1	ChEMBL_599754 (CHEMBL1048198)	Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay
50004279	1	ChEMBL_600527 (CHEMBL1049052)	Inhibition of HIV1 wild type reverse transcriptase-mediated viral DNA synthesis in human HOS cells assessed as luciferase activity treated 3 hrs before infection measured after 48 hrs by luminescence assay
50004279	2	ChEMBL_600528 (CHEMBL1049053)	Inhibition of HIV1 wild type reverse transcriptase-mediated viral DNA synthesis in human HOS-313 cells expressing HSV thymidine kinase assessed as luciferase activity treated 3 hrs before infection measured after 48 hrs by luminescence assay
50004279	3	ChEMBL_600599 (CHEMBL1041912)	Inhibition of HIV1 reverse transcriptase M184V mutant-mediated viral DNA synthesis in human HOS-313 cells expressing HSV thymidine kinase assessed as luciferase activity treated 3 hrs before infection measured after 48 hrs by luminescence assay
50004279	4	ChEMBL_600529 (CHEMBL1049054)	Inhibition of HIV1 reverse transcriptase M184V mutant-mediated viral DNA synthesis in human HOS cells assessed as luciferase activity treated 3 hrs before infection measured after 48 hrs by luminescence assay
50004280	1	ChEMBL_597843 (CHEMBL1039106)	Inhibition of Escherichia coli FabI
50004281	1	ChEMBL_597851 (CHEMBL1039114)	Inhibition of Staphylococcus aureus FabI
50004281	2	ChEMBL_597852 (CHEMBL1039115)	Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption
50004282	1	ChEMBL_596513 (CHEMBL1039001)	Displacement of [CH3-3H]deoxythymidine from Varicella zoster virus recombinant thymidine kinase after 30 mins
50004283	1	ChEMBL_596771 (CHEMBL1039059)	Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay
50004283	2	ChEMBL_596772 (CHEMBL1039060)	Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain
50004284	1	ChEMBL_594636 (CHEMBL1037933)	Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA
50004285	1	ChEMBL_595773 (CHEMBL1047953)	Inhibition of Hsp90 in human H1299 assessed as degradation of Hsp90 client protein Akt
50004286	1	ChEMBL_597507 (CHEMBL1046982)	Inhibition of human HDAC extracted from human HeLa cells
50004287	1	ChEMBL_601401 (CHEMBL1049454)	Inhibition of SARS Co-V 3CL protease
50004288	1	ChEMBL_601554 (CHEMBL1046882)	Inhibition of alpha3beta2 nAChR
50004288	2	ChEMBL_601558 (CHEMBL1047738)	Inhibition of alpha6beta2 nAChR
50004289	1	ChEMBL_601566 (CHEMBL1047746)	Inhibition of wild-type HIV1 reverse transcriptase
50004289	2	ChEMBL_601568 (CHEMBL1047748)	Inhibition of HIV1 reverse transcriptase K103N mutant
50004289	3	ChEMBL_601565 (CHEMBL1047745)	Inhibition of HIV1 reverse transcriptase
50004289	4	ChEMBL_601567 (CHEMBL1047747)	Inhibition of HIV1 reverse transcriptase Y181C mutant
50004290	1	ChEMBL_601740 (CHEMBL1041647)	Inhibition of wild type HIV1 reverse transcriptase
50004290	2	ChEMBL_601741 (CHEMBL1041648)	Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant
50004291	1	ChEMBL_600936 (CHEMBL1044250)	Inhibition of Escherichia coli beta-galactosidase by Lineweaver-Burke plot analysis
50004292	1	ChEMBL_607108 (CHEMBL1066706)	Inhibition of Staphylococcus aureus wild type DNA gyrase
50004292	2	ChEMBL_607109 (CHEMBL1066707)	Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant
50004293	1	ChEMBL_604619 (CHEMBL1066115)	Modulatory activity at human GABAA alpha-1-beta-2-gamma-2L receptor expressed in Xenopus laevis oocytes assessed as potentiation of of GABA EC5-induced currents by two-electrode voltage clamp assay
50004295	1	ChEMBL_604867 (CHEMBL1065976)	Inhibition of Saccharomyces cerevisiae type I phosphomannose isomerase assessed as D-mannose 6-phosphate to D-fructose 6-phosphate isomerization at pH 7.1 by PGI/G6PDH coupled enzyme spectrophotometric assay
50004295	2	ChEMBL_604866 (CHEMBL1065975)	Inhibition of Escherichia coli type I phosphomannose isomerase assessed as D-mannose 6-phosphate to D-fructose 6-phosphate isomerization at pH 7.1 by PGI/G6PDH coupled enzyme spectrophotometric assay
50004296	1	ChEMBL_605129 (CHEMBL1064672)	Inhibition of Helicobacter pylori ATCC 43504 urease assessed as ammonia production after 3 hrs by indophenol method
50004297	1	ChEMBL_603446 (CHEMBL1043354)	Inhibition of Thermus thermophilus HB8 IPMDH assessed as formation of NADH by Lineweaver-Burke plot analysis
50004298	1	ChEMBL_603710 (CHEMBL1039333)	Binding affinity to histidine-tagged HIV1 full length integrase by fluorescence anisotropy
50004298	2	ChEMBL_603709 (CHEMBL1039332)	Binding affinity to tetrameric histidine-tagged HIV1 full length integrase by fluorescence anisotropy
50004299	1	ChEMBL_604715 (CHEMBL1070535)	Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting
50004300	1	ChEMBL_604955 (CHEMBL1067901)	Inhibition of CDK2/Cyclin E expressed in Sf9 cells assessed as inhibition of Rb phosphorylation
50004300	2	ChEMBL_604954 (CHEMBL1067900)	Inhibition of CDK4/Cyclin D1 expressed in Sf9 cells assessed as inhibition of Rb phosphorylation
50004301	1	ChEMBL_605568 (CHEMBL1069214)	Displacement of NBD-Toc from human recombinant alphaTTP
50004302	1	ChEMBL_606314 (CHEMBL1070006)	inhibition of human CEPT assessed as cholesteryl ester transfer by fluorescence transfer assay
50004303	1	ChEMBL_604487 (CHEMBL1072732)	Inhibition of RhoA/C-mediated transcriptional response in human PC3 cells by serum response factor-luciferase reporter gene assay
50004304	1	ChEMBL_605263 (CHEMBL1069343)	Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-40 by electrochemiluminescent assay
50004304	2	ChEMBL_605262 (CHEMBL1069342)	Inhibition of gamma secretase in human SHSY5Y cells expressing wild-type APP assessed as inhibition of intracellular amyloid beta-42 by electrochemiluminescent assay
50004305	1	ChEMBL_609914 (CHEMBL1074776)	Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting
50004306	1	ChEMBL_609013 (CHEMBL1073155)	Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase using poly(rA)/pligo(dT) template
50004306	2	ChEMBL_609017 (CHEMBL1074497)	Inhibition of HIV1 reverse transcriptase L100I mutant by RNA-dependent DNA polymerase activity assay
50004306	3	ChEMBL_609018 (CHEMBL1074498)	Inhibition of HIV1 reverse transcriptase Y181I mutant by RNA-dependent DNA polymerase activity assay
50004306	4	ChEMBL_609019 (CHEMBL1074499)	Inhibition of HIV1 reverse transcriptase K103N mutant by RNA-dependent DNA polymerase activity assay
50004307	1	ChEMBL_609662 (CHEMBL1067225)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site
50004307	2	ChEMBL_609661 (CHEMBL1067224)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase SAM site with 0.1 % TX100
50004307	3	ChEMBL_609655 (CHEMBL1067218)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site
50004307	4	ChEMBL_609656 (CHEMBL1067219)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase RNA site with 0.1 % TX100
50004307	5	ChEMBL_609660 (CHEMBL1067223)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase by spin-down assay
50004307	6	ChEMBL_609659 (CHEMBL1067222)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 8 nM enzyme concentration
50004307	7	ChEMBL_609658 (CHEMBL1067221)	Inhibition of Dengue virus type 2 NS5 RNA methyltransferase at 80 nM enzyme concentration
50004308	1	ChEMBL_609663 (CHEMBL1067226)	Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate
50018290	12	ChEMBL_2268807	Inhibition of Staphylococcus aureus USA 300 SrtA expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by FRET assay
50018290	13	ChEMBL_2268809	Inhibition of Staphylococcus aureus SrtA using Abe-DNP as substrate by FRET assay
50018290	14	ChEMBL_2268810	Inhibition of Staphylococcus aureus SrtA using FRET substrate incubated for 1 hr by FRET assay
50018290	15	ChEMBL_2268811	Inhibition of Staphylococcus aureus SrtA transpeptidation activity
50018290	16	ChEMBL_2268814	Binding affinity to Staphylococcus aureus SrtA assessed as inhibition constant
50018290	17	ChEMBL_2268815	Inhibition of wild type recombinant Staphylococcus aureus ATCC 25904 Sortase A expressed in Escherichia coli BL21 using Dabcyl-QALPETGEE-Edans as substrate incubated for 30 mins followed by substrate addition and measured after 60 mins by FRET assay
50018290	18	ChEMBL_2268816	Inhibition of Staphylococcus aureus USA 300 SrtA expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-QALPETGEE-Edans as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1 hr by FRET assay
50018290	19	ChEMBL_2268819	Inhibition of Staphylococcus aureus SrtA expressed in Escherichia coli BL21 (DE3) cells using Abz-LPETG-Dap(Dnp) as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins by HPLC analysis
50018290	20	ChEMBL_2268821	Inhibition of Staphylococcus aureus SrtA expressed in Escherichia coli BL21 (DE3) cells using 2-aminobenzoyl-LPETG-diaminopropionic acid-dinitrophenyl-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 15 mins by fluorescence based analysis
50018290	21	ChEMBL_2268822	Inhibition of Staphylococcus aureus SrtA catalytic domain (60 to 206 residues) using Abz-LPETGDap(Dnp)-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured immediately by FRET assay
50004310	1	ChEMBL_610290 (CHEMBL1068015)	Inhibition of N type calcium channel alpha-1b/alpha-2-delta-1/beta-1b expressed in HEK293 cells at holding potential of -100 mV by whole-cell patch clamp method
50004310	2	ChEMBL_610292 (CHEMBL1068017)	Inhibition of L-type calcium channel alpha-1c/alpha-2-delta-1/beta-1b expressed in HEK293 cells by FLIPR method
50004310	3	ChEMBL_610291 (CHEMBL1068016)	Inhibition of L type calcium channel alpha-1c/alpha-2-delta-1/beta-1b expressed in HEK293 cells in presence of -100 mV holding potential by whole-cell patch clamp method
50004311	1	ChEMBL_611354 (CHEMBL1073715)	Inhibition of HIV1 reverse transcriptase by EIA
50004312	1	ChEMBL_611709 (CHEMBL1074303)	Inhibition of recombinant HIV1 protease by fluorescence assay
50004313	1	ChEMBL_610764 (CHEMBL1064399)	Binding affinity to human N-terminal Ig-like domain D1D2 GPVI expressed in Escherichia coli DH5alpha by NMR spectroscopy
50004314	1	ChEMBL_613320 (CHEMBL1074257)	Inhibition of Arabidopsis thaliana LL-DAP-AT expressed in Escherichia coli by aminobenzaldehyde-based assay
50004315	1	ChEMBL_607853 (CHEMBL1074102)	Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay
50004316	1	ChEMBL_607670 (CHEMBL1071690)	Inhibition of Mycobacterium tuberculosis RmlC expressed in Escherichia coli by spectrophotometry
50004316	2	ChEMBL_607666 (CHEMBL1071686)	Inhibition of Mycobacterium tuberculosis RmlC/RmlD expressed in Escherichia coli by spectrophotometry
50004317	1	ChEMBL_608111 (CHEMBL1074800)	Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay
50004318	1	ChEMBL_610130 (CHEMBL1074495)	Inhibition of HIV1 protease
50018290	22	ChEMBL_2268824	Inhibition of Staphylococcus aureus SrtA (60 to 206 residues) using Abz-LPETG-Dap(Dnp)-NH2 as substrate incubated for 1 hr by FRET assay
50018290	23	ChEMBL_2268825	Inhibition of Staphylococcus aureus SrtA with 24 residues truncated from N-terminus using Abz-LPATG-Dap as substrate
50018290	24	ChEMBL_2268826	Inhibition of C-terminal 6His-tagged recombinant Staphylococcus aureus SrtA with 1 to 59 residues truncated from N-terminus expressed in Escherichia coli BL21 (DE3) using dabcyl-QALPETGEE-edans as substrate preincubated for 1 hr followed by substrate addition and measured for 1 hr by FRET assay
50018291	1	ChEMBL_2268836	Inhibition of human FLT3-ITD mutant preincubated with enzyme for 20 mins followed by [gamma-33P]ATP addition and measured after 120 mins by filter binding method
50004320	1	ChEMBL_610840 (CHEMBL1064995)	Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain
50004321	1	ChEMBL_610879 (CHEMBL1065034)	Inhibition of HDAC in human HeLa cell nuclear extract by fluorescence assay
50004322	1	ChEMBL_611159 (CHEMBL1068809)	Inhibition of human recombinant FTase by fluorescent-based assay
50004322	2	ChEMBL_611163 (CHEMBL1065685)	Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-inhibitor complex
50004322	3	ChEMBL_611164 (CHEMBL1065686)	Binding affinity to CaaX site of human recombinant FTase by non-competitive Michaelis-Menten analysis for enzyme-substrate-inhibitor complex
50004322	4	ChEMBL_611161 (CHEMBL1065683)	Binding affinity to FPP site of human recombinant FTase by competitive Michaelis-Menten analysis
50004323	1	ChEMBL_607926 (CHEMBL1066254)	Inhibition of guinea pig liver transglutaminase
50004324	1	ChEMBL_607982 (CHEMBL1072398)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta40 formation by ELISA
50004324	2	ChEMBL_607983 (CHEMBL1072399)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as amyloid beta42 formation by ELISA
50004324	3	ChEMBL_608182 (CHEMBL1066886)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in Abeta42 level after 24 hrs by DELFIA
50004324	4	ChEMBL_608183 (CHEMBL1066887)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as increase in Abeta38 level after 24 hrs by DELFIA
50004324	5	ChEMBL_608184 (CHEMBL1066888)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as effect on Abeta40 level after 24 hrs by DELFIA
50004324	6	ChEMBL_607981 (CHEMBL1072397)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant APP assessed as decrease in total Abeta level after 24 hrs by DELFIA
50004325	1	ChEMBL_608222 (CHEMBL1072411)	Inhibition of MMP2
50004325	2	ChEMBL_608223 (CHEMBL1072412)	Inhibition of MMP9
50004326	1	ChEMBL_621728 (CHEMBL1108460)	Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells after 16 hrs by pTK-HRE3-luciferase reporter gene assay
50004326	2	ChEMBL_621709 (CHEMBL1104951)	Inhibition of hypoxia-induced HIF1 activation in human PC3 cells after 16 hrs by pTK-HRE3-luciferase reporter gene assay
50004326	3	ChEMBL_621707 (CHEMBL1104949)	Inhibition of 1,10-phenanthroline-induced HIF1 activation in human PC3 cells after 16 hrs by pTK-HRE3-luciferase reporter gene assay
50004326	4	ChEMBL_621708 (CHEMBL1104950)	Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells expressing pGL3 construct after 16 hrs by reporter gene assay
50004326	5	ChEMBL_621727 (CHEMBL1108459)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by pTK-HRE3-luciferase reporter gene assay
50004326	6	ChEMBL_621731 (CHEMBL1108463)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells expressing pGL3 construct after 16 hrs by reporter gene assay
50018295	1	ChEMBL_2268931	Inhibition of human recombinant MAGL by fluorometric analysis
50018296	1	ChEMBL_2269055	Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 to 290 residues) (unknown origin) expressed in Escherichia coli by surface plasmon resonance assay
50004328	1	ChEMBL_622084 (CHEMBL1111323)	Inhibition of HIV1 integrase strand transfer activity
50004329	1	ChEMBL_619115 (CHEMBL1102822)	Inhibition of HIV1 reverse transcriptase Y181C mutant in human MT4 cells after 72 hrs by spread assay
50004329	2	ChEMBL_619113 (CHEMBL1102820)	Inhibition of HIV1 reverse transcriptase expressed in human MT4 cells after 72 hrs by spread assay
50004330	1	ChEMBL_622627 (CHEMBL1109339)	Inhibition of HIV1 protease
50004330	2	ChEMBL_622629 (CHEMBL1104117)	Inhibition of recombinant HIV1 protease after 30 mins by reverse phase HPLC
50004330	3	ChEMBL_622630 (CHEMBL1104118)	Inhibition of HIV1 protease dimerization by Zhang-Poorman kinetic assay
50004330	4	ChEMBL_622631 (CHEMBL1104119)	Competitive inhibition of HIV1 protease by Lineweaver-Burke plot analysis
50004330	5	ChEMBL_622625 (CHEMBL1109337)	Inhibition of HIV1 integrase strand transfer activity
50004330	6	ChEMBL_622626 (CHEMBL1109338)	Inhibition of HIV1 integrase 3' processing activity
50004331	1	ChEMBL_622632 (CHEMBL1104120)	Blocking of rat N-type calcium channel alpha-1B/alpha-2-delta-1/beta-1b activity expressed in HEK293 cells assessed as whole cell current by whole cell patch clamp assay
50004332	1	ChEMBL_618274 (CHEMBL1099688)	Blockade of L-type calcium channel in Wistar rat cardiomyocytes assessed as inhibition of peak L-type barium current by whole cell patch clamp method
50004333	1	ChEMBL_619005 (CHEMBL1101830)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells by pTK-HRE3-luciferase reporter gene assay
50004335	1	ChEMBL_621660 (CHEMBL1115731)	Modulation of gamma-secretase in human H4 cells assessed as inhibition of in amyloid beta40 production by LPECL assay
50004335	2	ChEMBL_621661 (CHEMBL1115732)	Modulation of gamma-secretase in human H4 cells assessed as inhibition of in amyloid beta42 production by LPECL assay
50004335	3	ChEMBL_621659 (CHEMBL1115730)	Modulation of gamma-secretase in human H4 cells assessed as increase in amyloid beta38 production by LPECL assay
50004336	1	ChEMBL_622367 (CHEMBL1100174)	Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay
50004337	1	ChEMBL_622389 (CHEMBL1100196)	Inhibition of HIV1 TAT transfected to human HeLa cells assessed as decrease in luminescence after 48 hrs by duel luciferase reporter gene assay
50004339	1	ChEMBL_616863 (CHEMBL1100247)	Antibacterial activity against Enterococcus faecalis ATCC 29212 after 24 hrs by broth microdilution method
50004340	1	ChEMBL_617631 (CHEMBL1101240)	Inhibition of BRAF V600E mutant
50004341	1	ChEMBL_614165 (CHEMBL1104297)	Binding affinity to human thrombin after 30 mins by non-equilibrium capillary electrophoresis
50004343	1	ChEMBL_614434 (CHEMBL1110504)	Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting
50004344	1	ChEMBL_614728 (CHEMBL1114231)	Inhibition of human HDAC in human HeLa cell nuclear extract after 15 mins by colorimetric assay
50004345	1	ChEMBL_614784 (CHEMBL1113303)	Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins
50004345	2	ChEMBL_614785 (CHEMBL1113304)	Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot
50004346	1	ChEMBL_626667 (CHEMBL1108869)	Inhibition of recombinant HIV1 integrase 3^-end processing and strand transfer activity after 1 hr
50004347	1	ChEMBL_624077 (CHEMBL1103408)	Inhibition of human Pin1 S16A/Y23A mutant expressed in Escherichia coli BL21(DE3) by chymotrypsin-coupled PPIase inhibition assay
50004347	2	ChEMBL_624078 (CHEMBL1103409)	Binding affinity to human Pin1 S16A/Y23A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration colorimetry
50004348	1	ChEMBL_624870 (CHEMBL1104358)	Inhibition of BRAF V600E mutant ERK phosphorylation in human WM266.4 cells
50004348	2	ChEMBL_624869 (CHEMBL1104357)	Inhibition of human BRAF V600E mutant expressed in baculovirus system
50004349	1	ChEMBL_625660 (CHEMBL1113476)	Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA
50004349	2	ChEMBL_625661 (CHEMBL1113477)	Inhibition of gamma-secretase-mediated notch cleavage in human IMR-32 cells after 2 hrs by ELISA
50004349	3	ChEMBL_625814 (CHEMBL1107112)	Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
50004350	1	ChEMBL_626134 (CHEMBL1116097)	Inhibition of gamma-secretase-mediated Notch deltaE cleavage in human HeLa cells by luciferase assay
50004351	1	ChEMBL_627582 (CHEMBL1113588)	Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter
50004353	1	ChEMBL_631037 (CHEMBL1113762)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells in presence of 1% O2 by HRE3-TK-luc reporter assay
50004353	2	ChEMBL_631036 (CHEMBL1113761)	Inhibition of chemical hypoxia-induced HIF1 activation in human T47D cells in presence of 1, 10-phenanthrolin by HRE3-TK-luc reporter assay
50004354	1	ChEMBL_632580 (CHEMBL1114806)	Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay
50004355	1	ChEMBL_630077 (CHEMBL1109997)	Inhibition of biotin-dUTP labeled HIV-1 reverse transcriptase after 30 mins colorimetric streptavidin alkaline phosphatase reporter system
50004356	1	ChEMBL_632040 (CHEMBL1110082)	Inhibition of HIV1 reverse transcriptase by ELISA
50004357	1	ChEMBL_632278 (CHEMBL1110140)	Binding affinity to human CFTR F508 deletion mutant expressed in FRT cells assessed as increase in iodine influx after 16 to 20 hrs by fluorescence assay
50004358	1	ChEMBL_631198 (CHEMBL1110047)	Binding affinity to pig tubulin after 1 hr by fluorescence quenching analysis
50004359	1	ChEMBL_629799 (CHEMBL1115617)	Inhibition of HIV1 reverse transcriptase
50004360	1	ChEMBL_630242 (CHEMBL1106451)	Inhibition of PDE4 in human U937 cells after 30 mins by electrochemiluminescence based immunoassay
50004361	1	ChEMBL_633209 (CHEMBL1118865)	Inhibition of HIV1 integrase 3'-end processing activity after 1 hr by densitometric analysis
50004361	2	ChEMBL_633208 (CHEMBL1118864)	Inhibition of HIV1 integrase strand transfer activity after 1 hr by densitometric analysis
50004361	3	ChEMBL_633210 (CHEMBL1118866)	Inhibition of HIV1 reverse transcriptase-associated ribonuclease H activity by fluorescence assay
50004362	1	ChEMBL_635787 (CHEMBL1120675)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR
50004363	1	ChEMBL_634101 (CHEMBL1118885)	Inhibition of gamma-secretase-mediated notch cleavage in human SNC cells by ELISA
50004364	1	ChEMBL_638696 (CHEMBL1168920)	Cytotoxicity against human NB-1 cells after 3 days by MTT assay
50004365	1	ChEMBL_636313 (CHEMBL1169036)	Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis
50004366	1	ChEMBL_638656 (CHEMBL1168187)	Inhibition of HDAC in human HeLa cells extracts after 60 mins by fluorescence assay
50004367	1	ChEMBL_638660 (CHEMBL1168191)	Inhibition of HIV 3B integrase strand transfer activity
50004367	2	ChEMBL_638659 (CHEMBL1168190)	Inhibition of HIV 3B reverse transcriptase using [3H]TTP as a tracer by scintillation counting
50004368	1	ChEMBL_641537 (CHEMBL1175371)	Inhibition of human ACC1/2-mediated malonyl-CoA synthesis
50004369	1	ChEMBL_640103 (CHEMBL1174373)	Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradation by Western blot analysis
50004370	1	ChEMBL_640600 (CHEMBL1175513)	Inhibition of rat TREK2 channel -mediated current expressed in HEK293 at 60 mV holding potential by patch clamp method
50004370	2	ChEMBL_640601 (CHEMBL1175514)	Activation of rat TREK2 channel -mediated current expressed in HEK293 at 60 mV holding potential by patch clamp method
50004371	1	ChEMBL_640767 (CHEMBL1175708)	Inhibition of HIV1 reverse transcriptase Y188L mutant by SPA heteropolymeric assay
50004371	2	ChEMBL_640766 (CHEMBL1175707)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay
50004371	3	ChEMBL_640765 (CHEMBL1175706)	Inhibition of wild type HIV1 reverse transcriptase by SPA heteropolymeric assay
50004372	1	ChEMBL_639626 (CHEMBL1175304)	Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry
50004373	1	ChEMBL_639812 (CHEMBL1175757)	Inhibition of HIV1 protease
50004375	1	ChEMBL_642255 (CHEMBL1177074)	Inhibition of HIV1 reverse transcriptase-mediated thymidine incorporation into D23/D36 primer-template preincubated for 15 mins by polyacrylamide gel-electrophoresis
50004376	1	ChEMBL_642269 (CHEMBL1177149)	Inhibition of HCV NS3 protease A156T mutant by FRET assay
50004376	2	ChEMBL_642270 (CHEMBL1177150)	Inhibition of HCV NS3 protease D168V mutant by FRET assay
50004377	1	ChEMBL_642450 (CHEMBL1177406)	Inhibition of HIV1 reverse transcriptase
50004378	1	ChEMBL_642617 (CHEMBL1176632)	Inhibition of HIV1 integrase after 1 hr by ELISA
50004379	1	ChEMBL_642848 (CHEMBL1175892)	Inhibition of Plasmodium falciparum Fabl
50004380	1	ChEMBL_644449 (CHEMBL1211287)	Inhibition of HIV-1 integrase
50004381	1	ChEMBL_644542 (CHEMBL1211419)	Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry
50004382	1	ChEMBL_643487 (CHEMBL1212351)	Activation of human CD69
50004382	2	ChEMBL_643486 (CHEMBL1212350)	Activation of rat NKR-P1A
50004384	1	ChEMBL_643503 (CHEMBL1212367)	Inhibition of HCV NS5B polymerase L419M mutant
50004384	2	ChEMBL_643504 (CHEMBL1212368)	Inhibition of HCV NS5B polymerase M414T mutant
50004385	1	ChEMBL_643921 (CHEMBL1211820)	Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma
50004385	2	ChEMBL_643922 (CHEMBL1211821)	Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation
50004386	1	ChEMBL_644870 (CHEMBL1211147)	Inhibition of Plasmodium falciparum FabI
50004387	1	ChEMBL_645014 (CHEMBL1211463)	Inhibition of tyrosinase in alpha-MSH-induced mouse B16 cells
50004388	1	ChEMBL_645103 (CHEMBL1218228)	Inhibition of anisomycin-induced p38 phosphorylation in human U937 cells by Phospho-Flow cytometry
50004389	1	ChEMBL_647687 (CHEMBL1220168)	Inhibition of polyhistidine tagged yeast prion protein Sup35 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of amyloid polymerization by thioflavin T fluorescence assay relative to untreated control
50004389	2	ChEMBL_647706 (CHEMBL1220303)	Inhibition of yeast prion protein Sup35 infection of PSI yeast spheroplast cells
50004390	1	ChEMBL_645202 (CHEMBL1216006)	Binding affinity to human PDPK1 Y288G/Q292A mutant expressed in insect cell system assessed as substrate phosphorylation by isothermal titration calorimetry
50004391	1	ChEMBL_647954 (CHEMBL1218538)	Binding affinity to Escherichia coli K-12 lolA expressed in Escherichia coli BL21(AI) by NMR spectrometry
50004392	1	ChEMBL_645693 (CHEMBL1217807)	Inhibition of Pseudomonas luteola LAM Beta-lactamase LUT-1
50004393	1	ChEMBL_645699 (CHEMBL1217813)	Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2
50004393	2	ChEMBL_645700 (CHEMBL1217814)	Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1
50004395	1	ChEMBL_645821 (CHEMBL1218067)	Binding affinity to Cytochrome C
50004396	1	ChEMBL_646951 (CHEMBL1217092)	Inhibition of Escherichia coli UTI89 PapD chaperon assessed as inhibition of biofilm formation
50004397	1	ChEMBL_646979 (CHEMBL1217120)	Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human WM266.4 cells
50004397	2	ChEMBL_646978 (CHEMBL1217119)	Inhibition of B-Raf V600E mutant
50004398	1	ChEMBL_647172 (CHEMBL1217313)	Inhibition of HIV1 integrase strand transfer
50004398	2	ChEMBL_647171 (CHEMBL1217312)	Inhibition of HIV1 integrase
50004399	1	ChEMBL_649474 (CHEMBL1219172)	Inhibition of HSP90 in human A431 cells assessed as down-regulation of Akt protein after 24 hrs by immunoblotting
50004399	2	ChEMBL_649477 (CHEMBL1219175)	Inhibition of HSP90 in human A431 cells assessed as down-regulation of survivin protein after 24 hrs by immunoblotting
50004399	3	ChEMBL_649476 (CHEMBL1219174)	Inhibition of HSP90 in human A431 cells assessed as down-regulation of Cdk4 protein after 24 hrs by immunoblotting
50004399	4	ChEMBL_649475 (CHEMBL1219173)	Inhibition of HSP90 in human A431 cells assessed as down-regulation of EGFR protein after 24 hrs by immunoblotting
50004400	1	ChEMBL_650294 (CHEMBL1224952)	Inhibition of Neurospora crassa DIM5
50004400	2	ChEMBL_650292 (CHEMBL1224950)	Inhibition of Drosophila melanogaster histone-lysine N-methyl-transferase E(z)
50004400	3	ChEMBL_650297 (CHEMBL1224955)	Inhibition of Drosophila melanogaster SU(VAR)3-9
50004400	4	ChEMBL_650293 (CHEMBL1224951)	Inhibition of mouse G9a
50004400	5	ChEMBL_650290 (CHEMBL1224948)	Inhibition of Drosophila melanogaster PRSET2
50004401	1	ChEMBL_653055 (CHEMBL1226258)	Agonist activity at iGluR6 L439C mutant expressed in human HEK293 cells assessed as increase in intracellular Ca2+ levels by FURA-2-M staining based fluorimetric method
50004402	1	ChEMBL_653215 (CHEMBL1226418)	Inhibition of eIF4A-mediated cap-dependent protein synthesis in FF-HCV-Ren mRNA transfected Swiss mouse Krebs2 cell extract by [35S]methionine metabolic labeling study
50004403	1	ChEMBL_653705 (CHEMBL1227029)	Inhibition of HDAC in human HeLa cell extract by fluorescence plate reader assay
50004404	1	ChEMBL_653053 (CHEMBL1226256)	Inhibition of Drosophila melanogaster Mth ectodomain transfected into human HEK cells assessed as inhibition of N-Stunted-induced Mth signaling
50004404	2	ChEMBL_653054 (CHEMBL1226257)	Binding affinity to Drosophila melanogaster Mth ectodomain
50004405	1	ChEMBL_650711 (CHEMBL1227291)	Inhibition of Escherichia coli K-12 recombinant His-tagged folylpoly-gamma-glutamate synthetase expressed in Escherichia coli BL21 LC-MS/MS method
50004406	1	ChEMBL_650859 (CHEMBL1228074)	Competitive inhibition of nitrogen-starved wild type sigma1278b yeast Gap1 by Lineweaver-Burke plot analysis
50004406	2	ChEMBL_650863 (CHEMBL1228078)	Noncompetitive inhibition of nitrogen-starved wild type sigma1278b Gap1-mediated amino acid transport by Lineweaver-Burke plot analysis
50004408	1	ChEMBL_651356 (CHEMBL1227176)	Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production by luciferase reporter gene assay
50004408	2	ChEMBL_651357 (CHEMBL1227177)	Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 42 production by luciferase reporter gene assay
50004408	3	ChEMBL_651358 (CHEMBL1227178)	Inhibition of gamma-secretase in HEK293 cells co-overexpressing NotchdeltaE assessed as inhibition of notch cleavage by luciferase reporter gene assay
50004409	1	ChEMBL_651835 (CHEMBL1227200)	Inhibition of HCV NS3 protease A156T mutant by FRET assay
50004409	2	ChEMBL_651836 (CHEMBL1227201)	Inhibition of HCV NS3 protease D168V mutant by FRET assay
50004410	1	ChEMBL_651907 (CHEMBL1227437)	Inhibition of HIV 1 recombinant integrase
50004411	1	ChEMBL_652230 (CHEMBL1228503)	Inhibition of HIV1 integrase 3' processing activity
50004411	2	ChEMBL_652231 (CHEMBL1228504)	Inhibition of HIV1 integrase 3' strand transfer activity
50004412	1	ChEMBL_652335 (CHEMBL1225538)	Antagonist activity at wild type NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of agonist-induced current amplitude by two-electrode voltage-clamp method
50004413	1	ChEMBL_652568 (CHEMBL1225771)	Inhibition of pig tubulin polymerization
50004414	1	ChEMBL_652620 (CHEMBL1225823)	Inhibition of HIV1 integrase strand transfer activity after 1 hr
50004415	1	ChEMBL_654092 (CHEMBL1228898)	Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells
50004416	1	ChEMBL_655006 (CHEMBL1244050)	Inhibition of MOR/alpha2A adrenergic receptor heterodimer expressed in HEK293 cells assessed as stimulation of ERK1/2 phosphorylation
50004417	1	ChEMBL_656649 (CHEMBL1245693)	Inhibition of HIV1 Reverse transcriptase by primer extension-based scintillation assay
50004418	1	ChEMBL_658208 (CHEMBL1246600)	Inhibition of HIV1 recombinant protease
50004418	2	ChEMBL_658209 (CHEMBL1246601)	Inhibition of HIV1 reverse transcriptase after 1 hr by ELISA
50004418	3	ChEMBL_658210 (CHEMBL1246602)	Inhibition of HIV1 integrase after 1 hr
50004419	1	ChEMBL_659629 (CHEMBL1249063)	Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptor
50004420	1	ChEMBL_657378 (CHEMBL1246354)	Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins
50004420	2	ChEMBL_657377 (CHEMBL1246353)	Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli after 60 mins
50004421	1	ChEMBL_662776 (CHEMBL1252515)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1032 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	2	ChEMBL_662778 (CHEMBL1252517)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	3	ChEMBL_662779 (CHEMBL1252518)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2948 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	4	ChEMBL_662780 (CHEMBL1252519)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3130 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	5	ChEMBL_662783 (CHEMBL1252522)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3962 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	6	ChEMBL_662784 (CHEMBL1252523)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3963 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	7	ChEMBL_662785 (CHEMBL1252524)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3965 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	8	ChEMBL_662787 (CHEMBL1252526)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3991 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	9	ChEMBL_662788 (CHEMBL1252527)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3994 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	10	ChEMBL_662790 (CHEMBL1252529)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4092 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	11	ChEMBL_662791 (CHEMBL1252530)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4093 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	12	ChEMBL_662786 (CHEMBL1252525)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	13	ChEMBL_662782 (CHEMBL1252521)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3858 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	14	ChEMBL_662777 (CHEMBL1252516)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1878 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	15	ChEMBL_662781 (CHEMBL1252520)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3784 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004421	16	ChEMBL_662789 (CHEMBL1252528)	Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4073 assessed as reduction of mannose release using 4NP-mannopyranoside substrate
50004422	1	ChEMBL_662851 (CHEMBL1252251)	Inhibition of human full-length B-Raf V600E mutant expressed in baculovirus infected Sf9 cells after 45 mins by DELFIA assay
50004422	2	ChEMBL_662852 (CHEMBL1252252)	Inhibition of B-Raf V600E mutant-mediated ERK1/2 phosphorylation in human WM266.4 cells after 6 hrs
50004423	1	ChEMBL_663311 (CHEMBL1250559)	Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry
50004424	1	ChEMBL_663463 (CHEMBL1251062)	Displacement of [3H]RX821002 from alpha2 adrenergic receptor in rat brain membrane
50004425	1	ChEMBL_663847 (CHEMBL1250747)	Inhibition of HIV1 DH012 reverse transcriptase by roche colorimetric assay
50004426	1	ChEMBL_671925 (CHEMBL1266964)	Binding affinity to methicillin-, vancomycin-resistant, beta-lactamase-positive Staphylococcus aureus 510 PBP2a by competitive binding assay
50004426	2	ChEMBL_671927 (CHEMBL1267048)	Binding affinity to methicillin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 1287 PBP2a by competitive binding assay
50004426	3	ChEMBL_671928 (CHEMBL1267049)	Binding affinity to against methicillin-, daptomycin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 25 PBP2a by competitive binding assay
50004426	4	ChEMBL_672068 (CHEMBL1267449)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP1A by competitive binding assay
50004426	5	ChEMBL_672069 (CHEMBL1267450)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP1A by competitive binding assay
50004426	6	ChEMBL_672077 (CHEMBL1267458)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP2X by competitive binding assay
50004426	7	ChEMBL_672084 (CHEMBL1267465)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP2B by competitive binding assay
50004426	8	ChEMBL_672067 (CHEMBL1267448)	Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP1A by competitive binding assay
50004426	9	ChEMBL_672085 (CHEMBL1267466)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP2B by competitive binding assay
50004426	10	ChEMBL_671926 (CHEMBL1266965)	Binding affinity to methicillin-, linezolid-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 2149A PBP2a by competitive binding assay
50004426	11	ChEMBL_671924 (CHEMBL1266963)	Binding affinity to methicillin-resistant, heteroresistant vancomycin-intermediate, beta-lactamase-negative Staphylococcus aureus 873 PBP2a by competitive binding assay
50004426	12	ChEMBL_672070 (CHEMBL1267451)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP1A by competitive binding assay
50004426	13	ChEMBL_672076 (CHEMBL1267457)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP2X by competitive binding assay
50004426	14	ChEMBL_672078 (CHEMBL1267459)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP2X by competitive binding assay
50004426	15	ChEMBL_672083 (CHEMBL1267464)	Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP2B by competitive binding assay
50004426	16	ChEMBL_672075 (CHEMBL1267456)	Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP2X by competitive binding assay
50004426	17	ChEMBL_672086 (CHEMBL1267467)	Binding affinity to penicillin-resistant Streptococcus pneumoniae 2527 PBP2B by competitive binding assay
50004427	1	ChEMBL_666606 (CHEMBL1263766)	Inhibition of DNA-dependent DNA polymerase activity of HIV1 subtype B reverse transcriptase M230L mutant by gel-based primer extension assay
50004427	2	ChEMBL_666605 (CHEMBL1263765)	Inhibition of DNA-dependent DNA polymerase activity of wild type HIV1 subtype B reverse transcriptase by gel-based primer extension assay
50004427	3	ChEMBL_666603 (CHEMBL1263763)	Inhibition of RNA-dependent DNA polymerase activity of HIV1 subtype B reverse transcriptase M230L mutant by filter-based filtration assay
50004427	4	ChEMBL_666602 (CHEMBL1263762)	Inhibition of RNA-dependent DNA polymerase activity of wild type HIV1 subtype B reverse transcriptase by filter-based filtration assay
50004428	1	ChEMBL_664270 (CHEMBL1259305)	Inhibition of HIV1 integrase 3'-strand transfer
50004429	1	ChEMBL_664340 (CHEMBL1259489)	Inhibition of HIV-1 integrase-mediated 3'-processing and strand transfer activity
50004430	1	ChEMBL_665357 (CHEMBL1261034)	Inhibition of HIV1 recombinant wild type reverse transcriptase by SPA heteropolymeric assay
50004430	2	ChEMBL_665358 (CHEMBL1261035)	Inhibition of HIV1 recombinant reverse transcriptase K103N/Y181C double mutant by SPA heteropolymeric assay
50004430	3	ChEMBL_665359 (CHEMBL1261036)	Inhibition of HIV1 recombinant reverse transcriptase Y188L mutant by SPA heteropolymeric assay
50004431	1	ChEMBL_665403 (CHEMBL1261132)	Inhibition of HIV1 protease
50004432	1	ChEMBL_666886 (CHEMBL1262283)	Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay
50004432	2	ChEMBL_666906 (CHEMBL1262420)	Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay
50004432	3	ChEMBL_666883 (CHEMBL1262280)	Displacement of [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay
50004435	1	ChEMBL_675041 (CHEMBL1272775)	Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 mins by spectrofluorimetric analysis
50004435	2	ChEMBL_675040 (CHEMBL1272774)	Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetric analysis
50004435	3	ChEMBL_675038 (CHEMBL1272772)	Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis
50004435	4	ChEMBL_675044 (CHEMBL1272778)	Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis
50004435	5	ChEMBL_675039 (CHEMBL1272773)	Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis
50004436	1	ChEMBL_675545 (CHEMBL1273812)	Agonist activity at human GABA-A alpha-1-beta-2-gamma-2 receptor expressed in Xenopus laevis
50004437	1	ChEMBL_675390 (CHEMBL1273470)	Inhibition of HIV1 integrase strand transfer activity
50004437	2	ChEMBL_675391 (CHEMBL1273471)	Inhibition of HIV1 integrase 3' processing activity
50004439	1	ChEMBL_675616 (CHEMBL1273924)	Inhibition of HIV1 integrase strand transfer activity
50004439	2	ChEMBL_675614 (CHEMBL1273922)	Inhibition of wild type HIV1 reverse transcriptase RNasH activity
50004440	1	ChEMBL_675629 (CHEMBL1273937)	Inhibition of CDK2/cyclin A
50004441	1	ChEMBL_674284 (CHEMBL1274484)	Inhibition of influenza A nuraminidase N1
50004442	1	ChEMBL_675255 (CHEMBL1273237)	Inhibition of HIV1 reverse transcriptase Y188L mutant
50004442	2	ChEMBL_675253 (CHEMBL1273235)	Inhibition of HIV1 reverse transcriptase L100I mutant
50004442	3	ChEMBL_675251 (CHEMBL1273233)	Inhibition of wild type HIV1 reverse transcriptase
50004442	4	ChEMBL_675254 (CHEMBL1273236)	Inhibition of HIV1 reverse transcriptase V106A mutant
50004443	1	ChEMBL_676152 (CHEMBL1273203)	Inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate
50004443	2	ChEMBL_676153 (CHEMBL1273204)	Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate by Lineweaver burk plot
50004443	3	ChEMBL_676154 (CHEMBL1273205)	Inhibition of influenza A virus H9N2 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate
50004444	1	ChEMBL_677576 (CHEMBL1278414)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using RNA/DNA Primer/Template combination
50004444	2	ChEMBL_677575 (CHEMBL1278413)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay using RNA/DNA Primer/Template combination
50004444	3	ChEMBL_677581 (CHEMBL1278419)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay using DNA/DNA Primer/Template combination
50004444	4	ChEMBL_677580 (CHEMBL1278418)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using RNA/DNA Primer/Template combination
50004444	5	ChEMBL_677573 (CHEMBL1278411)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay using DNA/DNA Primer/Template combination
50004444	6	ChEMBL_677572 (CHEMBL1278410)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of 4-EdTMP by burst assay using RNA/DNA Primer/Template combination
50004444	7	ChEMBL_677577 (CHEMBL1278415)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of dTMP by burst assay using DNA/DNA Primer/Template combination
50004444	8	ChEMBL_677582 (CHEMBL1278420)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of d4TMP by burst assay using DNA/DNA Primer/Template combination
50004444	9	ChEMBL_677579 (CHEMBL1278417)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of d4TMP by burst assay using RNA/DNA Primer/Template combination
50004444	10	ChEMBL_677443 (CHEMBL1279436)	Inhibition of RNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase M184V mutant assessed as incorporation of 4-EdTMP by burst assay using RNA/DNA Primer/Template combination
50004444	11	ChEMBL_677578 (CHEMBL1278416)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of dTMP by burst assay using DNA/DNA Primer/Template combination
50004444	12	ChEMBL_677574 (CHEMBL1278412)	Inhibition of DNA-dependent DNA polymerase activity of HIV 1 reverse transcriptase assessed as incorporation of 4-EdTMP by burst assay using DNA/DNA Primer/Template combination
50004445	1	ChEMBL_678249 (CHEMBL1280244)	Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB
50004445	2	ChEMBL_678260 (CHEMBL1280255)	Inhibition of Escherichia coli DNA gyrase GyrA/GyrB
50004446	1	ChEMBL_677728 (CHEMBL1280506)	Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 12386-1 by [14C]benzylpenicillin labelled competitive assay
50004446	2	ChEMBL_677727 (CHEMBL1280505)	Binding affinity to PBP2a in methicillin-resistant Staphylococcus aureus 123-1 by [14C]benzylpenicillin labelled competitive assay
50004447	1	ChEMBL_683508 (CHEMBL1286423)	Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics
50004447	2	ChEMBL_683510 (CHEMBL1286425)	Inhibition of Candida tropicalis T26 blood stream isolate glucan synthase subunit FKS1p with LLTLSLRDP mutant at monophasic kinetics
50004447	3	ChEMBL_683511 (CHEMBL1286426)	Inhibition of Candida albicans ATCC 90028 glucan synthase at monophasic kinetics
50004447	4	ChEMBL_683507 (CHEMBL1286422)	Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics
50004447	5	ChEMBL_683509 (CHEMBL1286424)	Inhibition of Candida tropicalis T19 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at biphasic kinetics
50004447	6	ChEMBL_683506 (CHEMBL1286421)	Inhibition of Candida tropicalis T3 blood stream isolate glucan synthase subunit FKS1p with FLTLS/PLRDP mutant at monophasic kinetics
50004448	1	ChEMBL_683157 (CHEMBL1282383)	Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA S83W mutant
50004448	2	ChEMBL_683158 (CHEMBL1282384)	Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA A67S mutant
50004448	3	ChEMBL_683159 (CHEMBL1282385)	Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA G81C mutant
50004448	4	ChEMBL_683172 (CHEMBL1282398)	Inhibition of DNA supercoiling activity of Staphylococcus aureus DNA gyrase
50004449	1	ChEMBL_684017 (CHEMBL1286288)	Inhibition of urease in intact Helicobacter pylori ATCC 43504 assessed as reduction in ammonia production by indophenol based Berthelot color reaction method
50004449	2	ChEMBL_684016 (CHEMBL1286287)	Inhibition of cell free Helicobacter pylori ATCC 43504 urease assessed as reduction in ammonia production by indophenol based Berthelot color reaction method
50004450	1	ChEMBL_685004 (CHEMBL1286522)	Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assay
50004450	2	ChEMBL_685002 (CHEMBL1286520)	Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis
50004451	1	ChEMBL_685468 (CHEMBL1285499)	Inhibition of coxsackievirus B3 3C protease by fluorescence plate reader analysis
50004451	2	ChEMBL_685466 (CHEMBL1285497)	Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis
50004452	1	ChEMBL_685646 (CHEMBL1285548)	Inhibition of wild type HIV1 protease by FRET
50004453	1	ChEMBL_686507 (CHEMBL1292294)	Inhibition of protein tyrosine phosphatase 1B
50004454	1	ChEMBL_687351 (CHEMBL1292027)	Inhibition of human ERG
50004455	1	ChEMBL_687595 (CHEMBL1290867)	Inhibition of human HDAC after 30 mins
50004456	1	ChEMBL_686059 (CHEMBL1292815)	Binding affinity to Escherichia coli DHFR:NADPH complex expressed in Escherichia coli BL21 (DE3) rosetta cells
50004456	2	ChEMBL_686061 (CHEMBL1292817)	Binding affinity to Escherichia coli DHFR expressed in Escherichia coli BL21 (DE3) rosetta cells
50004456	3	ChEMBL_686060 (CHEMBL1292816)	Binding affinity to Escherichia coli DHFR:NADP+ complex expressed in Escherichia coli BL21 (DE3) rosetta cells
50004457	1	ChEMBL_697519 (CHEMBL1638851)	Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay
50004457	2	ChEMBL_697507 (CHEMBL1638839)	Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2
50004457	3	ChEMBL_697510 (CHEMBL1638842)	Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expressed in CHO cells
50004457	4	ChEMBL_697508 (CHEMBL1638840)	Agonist activity at human recombinant histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2 by steady-state GTPase activity assay
50004457	5	ChEMBL_697513 (CHEMBL1638845)	Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells
50004457	6	ChEMBL_697517 (CHEMBL1638849)	Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay
50004457	7	ChEMBL_697530 (CHEMBL1638862)	Binding affinity to human recombinant histamine H3 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	8	ChEMBL_697529 (CHEMBL1638861)	Binding affinity to human recombinant histamine H2 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	9	ChEMBL_697528 (CHEMBL1638860)	Binding affinity to human recombinant histamine H1 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	10	ChEMBL_697524 (CHEMBL1638856)	Agonist activity at mouse histamine H4 receptor
50004457	11	ChEMBL_697505 (CHEMBL1638837)	Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay
50004457	12	ChEMBL_697514 (CHEMBL1638846)	Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gsalpha2, Gbeta1gamma2 and RGS19 by steady-state GTPase activity assay
50004457	13	ChEMBL_697531 (CHEMBL1638863)	Binding affinity to human recombinant histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	14	ChEMBL_697532 (CHEMBL1638864)	Agonist activity at human recombinant histamine H4 receptor expressed in human SK-N-MC cells co-expressing SRE-Luc by luciferase reporter gene assay
50004457	15	ChEMBL_697534 (CHEMBL1639031)	Binding affinity to mouse histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	16	ChEMBL_697535 (CHEMBL1639032)	Agonist activity at mouse histamine H4 receptor by luciferase reporter gene assay
50004457	17	ChEMBL_697537 (CHEMBL1639034)	Binding affinity to rat histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay
50004457	18	ChEMBL_695346 (CHEMBL1638883)	Agonist activity at rat histamine H4 receptor by luciferase reporter gene assay
50004457	19	ChEMBL_697511 (CHEMBL1638843)	Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing Gsalphas by steady-state GTPase activity assay
50004457	20	ChEMBL_697525 (CHEMBL1638857)	Agonist activity at rat histamine H4 receptor
50004458	1	ChEMBL_695416 (CHEMBL1639086)	Antagonist activity at mGluR5
50004458	2	ChEMBL_695412 (CHEMBL1639082)	Antagonist activity at human mGluR5 expressed in CHO cells assessed as doxycycline induced calcium mobilization
50004458	3	ChEMBL_695415 (CHEMBL1639085)	Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay
50004459	1	ChEMBL_697177 (CHEMBL1640597)	Displacement of [3H]GR113808 from human 5HT4 receptor expressed in HEK293 cells by liquid scintillation counting
50004459	2	ChEMBL_697176 (CHEMBL1640596)	Antagonistic activity at human 5HT4 receptor expressed in HEK293 cells
50004459	3	ChEMBL_697180 (CHEMBL1640600)	Binding affinity to 5HT1A receptor
50004459	4	ChEMBL_697182 (CHEMBL1640602)	Binding affinity to 5HT1D receptor
50004459	5	ChEMBL_697183 (CHEMBL1640603)	Binding affinity to 5HT1E receptor
50004459	6	ChEMBL_697184 (CHEMBL1640604)	Binding affinity to 5HT2A receptor
50004459	7	ChEMBL_697186 (CHEMBL1640606)	Binding affinity to 5HT2C receptor
50004459	8	ChEMBL_697188 (CHEMBL1640608)	Binding affinity to 5HT5A receptor
50004459	9	ChEMBL_697190 (CHEMBL1640610)	Binding affinity to 5HT7 receptor
50004459	10	ChEMBL_697191 (CHEMBL1640611)	Binding affinity to alpha1A adrenergic receptor
50004459	11	ChEMBL_697193 (CHEMBL1640613)	Binding affinity to Alpha-1D adrenergic receptor
50004459	12	ChEMBL_697195 (CHEMBL1640615)	Binding affinity to alpha2B adrenergic receptor
50004459	13	ChEMBL_697196 (CHEMBL1640616)	Binding affinity to Alpha-2C adrenergic receptor
50004459	14	ChEMBL_697197 (CHEMBL1640617)	Binding affinity to beta1 adrenergic receptor
50004459	15	ChEMBL_697199 (CHEMBL1640619)	Binding affinity to beta3 adrenergic receptor
50004459	16	ChEMBL_697201 (CHEMBL1640621)	Binding affinity to dopamine receptor D2
50004459	17	ChEMBL_697202 (CHEMBL1640622)	Binding affinity to dopamine receptor D3
50004459	18	ChEMBL_697206 (CHEMBL1640626)	Binding affinity to Histamine receptor H2
50004459	19	ChEMBL_697210 (CHEMBL1640630)	Binding affinity to muscarinic acetylcholine receptor M2
50004459	20	ChEMBL_697211 (CHEMBL1640631)	Binding affinity to muscarinic acetylcholine receptor M3
50004459	21	ChEMBL_697213 (CHEMBL1640633)	Binding affinity to muscarinic acetylcholine receptor M5
50004459	22	ChEMBL_697214 (CHEMBL1640634)	Binding affinity to opioid receptor DOR
50004459	23	ChEMBL_697215 (CHEMBL1640635)	Binding affinity to opioid receptor KOR
50004459	24	ChEMBL_697216 (CHEMBL1640636)	Binding affinity to opioid receptor MOR
50004459	25	ChEMBL_697221 (CHEMBL1640641)	Binding affinity to DAT
50004459	26	ChEMBL_697205 (CHEMBL1640625)	Binding affinity to Histamine receptor H1
50004459	27	ChEMBL_697218 (CHEMBL1640638)	Binding affinity to opioid receptor Sigma1
50004459	28	ChEMBL_697185 (CHEMBL1640605)	Binding affinity to 5HT2B receptor
50004459	29	ChEMBL_697187 (CHEMBL1640607)	Binding affinity to 5HT3 receptor
50004459	30	ChEMBL_697194 (CHEMBL1640614)	Binding affinity to alpha2A adrenergic receptor
50004459	31	ChEMBL_697200 (CHEMBL1640620)	Binding affinity to dopamine receptor D1
50004459	32	ChEMBL_697207 (CHEMBL1640627)	Binding affinity to Histamine receptor H3
50004459	33	ChEMBL_697208 (CHEMBL1640628)	Binding affinity to Histamine receptor H4
50004459	34	ChEMBL_697212 (CHEMBL1640632)	Binding affinity to muscarinic acetylcholine receptor M4
50004459	35	ChEMBL_697181 (CHEMBL1640601)	Binding affinity to 5HT1B receptor
50004459	36	ChEMBL_697204 (CHEMBL1640624)	Binding affinity to dopamine receptor D5
50004459	37	ChEMBL_697189 (CHEMBL1640609)	Binding affinity to 5HT6 receptor
50004459	38	ChEMBL_697198 (CHEMBL1640618)	Binding affinity to beta2 adrenergic receptor
50004459	39	ChEMBL_697203 (CHEMBL1640623)	Binding affinity to dopamine receptor D4
50004459	40	ChEMBL_697192 (CHEMBL1640612)	Binding affinity to Alpha-1B adrenergic receptor
50004459	41	ChEMBL_697209 (CHEMBL1640629)	Binding affinity to muscarinic acetylcholine receptor M1
50004459	42	ChEMBL_697222 (CHEMBL1640642)	Binding affinity to SERT
50004460	1	ChEMBL_696615 (CHEMBL1641166)	Inhibition of Src
50004461	1	ChEMBL_690958 (CHEMBL1634566)	Inhibition of HIV 1 integrase strand transfer activity
50004462	1	ChEMBL_691472 (CHEMBL1634252)	Inhibition of Influenza A virus (A/Yamagata/32/1989(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	2	ChEMBL_691473 (CHEMBL1634253)	Inhibition of Influenza A virus (A/New Caledonia/20/1999(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	3	ChEMBL_691476 (CHEMBL1634256)	Inhibition of Influenza A virus (A/Yamagata/57/2002(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	4	ChEMBL_691478 (CHEMBL1634258)	Inhibition of Influenza A virus (A/Aichi/193/2004(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	5	ChEMBL_691479 (CHEMBL1634259)	Inhibition of Influenza A virus (A/Okinawa/42/2004(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	6	ChEMBL_691481 (CHEMBL1634261)	Inhibition of Influenza A virus (A/Yamagata/83/2006(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	7	ChEMBL_691483 (CHEMBL1634401)	Inhibition of Influenza A virus (A/Aichi/2/1968(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	8	ChEMBL_691486 (CHEMBL1634404)	Inhibition of Influenza A virus (A/Wellington/1/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	9	ChEMBL_691487 (CHEMBL1634405)	Inhibition of Influenza A virus (A/California/07/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	10	ChEMBL_691488 (CHEMBL1634406)	Inhibition of Influenza A virus (A/New York/55/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	11	ChEMBL_691491 (CHEMBL1634409)	Inhibition of Influenza A virus (A/Shiga/5/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	12	ChEMBL_691492 (CHEMBL1634410)	Inhibition of Influenza A virus (A/Yamagata/1/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	13	ChEMBL_691494 (CHEMBL1634412)	Inhibition of Influenza A virus (A/Saitama/80/2003(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	14	ChEMBL_691495 (CHEMBL1634413)	Inhibition of Influenza A virus (A/Osaka/56/2004(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	15	ChEMBL_691496 (CHEMBL1634414)	Inhibition of Influenza A virus (A/Tokushima/1/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	16	ChEMBL_691522 (CHEMBL1634440)	Inhibition of Influenza A virus (A/duck/Hokkaido/84/2002(H5N3)) neuraminidase after 30 mins by fluorescence analysis
50004462	17	ChEMBL_691523 (CHEMBL1634441)	Inhibition of Influenza A virus (A/turkey/Ontario/6,118/1968(H8N4)) neuraminidase after 30 mins by fluorescence analysis
50004462	18	ChEMBL_691524 (CHEMBL1634442)	Inhibition of Influenza A virus (A/duck/Alberta/60/1976(H12N5)) neuraminidase after 30 mins by fluorescence analysis
50004462	19	ChEMBL_691526 (CHEMBL1634444)	Inhibition of Influenza A virus (A/seal/Massachusetts/1/1980(H7N7)) neuraminidase after 30 mins by fluorescence analysis
50004462	20	ChEMBL_691527 (CHEMBL1634445)	Inhibition of Influenza A virus (A/duck/Ukraine/1/1963(H3N8)) neuraminidase after 30 mins by fluorescence analysis
50004462	21	ChEMBL_691532 (CHEMBL1634581)	Inhibition of Influenza A virus (A/Kawasaki/IMS22A-954/2003(H3N2)) wild type neuraminidase after 30 mins by fluorescence analysis
50004462	22	ChEMBL_691710 (CHEMBL1635261)	Inhibition of Influenza A virus (A/Yokohama/IMS9A-2029/2003(H3N2)) neuraminidase E119V mutant after 30 mins by fluorescence analysis
50004462	23	ChEMBL_691712 (CHEMBL1635263)	Inhibition of Influenza A virus (A/Kawasaki/MS31A-1030/2002(H3N2)) wild type neuraminidase after 30 mins by fluorescence analysis
50004462	24	ChEMBL_691525 (CHEMBL1634443)	Inhibition of Influenza A virus (A/duck/England/1/1956(H11N6)) neuraminidase after 30 mins by fluorescence analysis
50004462	25	ChEMBL_691529 (CHEMBL1634447)	Inhibition of Influenza A virus (A/Yokohama/67/2006(clone 1)(H1N1)) wild type neuraminidase after 30 mins by fluorescence analysis
50004462	26	ChEMBL_691530 (CHEMBL1634448)	Inhibition of Influenza A virus (A/Yokohama/67/2006(clone 11)(H1N1)) neuraminidase H274Y mutant after 30 mins by fluorescence analysis
50004462	27	ChEMBL_691533 (CHEMBL1634582)	Inhibition of Influenza A virus (A/Kawasaki/IMS22A-954/2003(H3N2)) neuraminidase R292K mutant after 30 mins by fluorescence analysis
50004462	28	ChEMBL_691713 (CHEMBL1635264)	Inhibition of Influenza A virus (A/Kawasaki/MS31A-1030/2002(H3N2)) neuraminidase N294S mutant after 30 mins by fluorescence analysis
50004462	29	ChEMBL_691521 (CHEMBL1634439)	Inhibition of Influenza A virus (A/R(duck/Mongolia/54/01-duck/Mongolia/47/01)(H5H1)) neuraminidase after 30 mins by fluorescence analysis
50004462	30	ChEMBL_691528 (CHEMBL1634446)	Inhibition of Influenza A virus (A/duck/Memphis/546/1974(H11N9)) neuraminidase after 30 mins by fluorescence analysis
50004462	31	ChEMBL_691474 (CHEMBL1634254)	Inhibition of Influenza A virus (A/Shiga/1/2002(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	32	ChEMBL_691477 (CHEMBL1634257)	Inhibition of Influenza A virus (A/Saitama/78/2003(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	33	ChEMBL_691480 (CHEMBL1634260)	Inhibition of Influenza A virus (A/Aichi/169/2005(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	34	ChEMBL_691485 (CHEMBL1634403)	Inhibition of Influenza A virus (A/Wyoming/03/2003(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	35	ChEMBL_691489 (CHEMBL1634407)	Inhibition of Influenza A virus (A/Hiroshima/52/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	36	ChEMBL_691490 (CHEMBL1634408)	Inhibition of Influenza A virus (A/Wisconsin/67/2005(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	37	ChEMBL_691493 (CHEMBL1634411)	Inhibition of Influenza A virus (A/Yamagata/2/2002(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	38	ChEMBL_691471 (CHEMBL1634251)	Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	39	ChEMBL_691475 (CHEMBL1634255)	Inhibition of Influenza A virus (A/Yamagata/3/2002(H1N1)) neuraminidase after 30 mins by fluorescence analysis
50004462	40	ChEMBL_691482 (CHEMBL1634400)	Inhibition of Influenza A virus (A/Singapore/1/1957(H2N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	41	ChEMBL_691484 (CHEMBL1634402)	Inhibition of Influenza A virus (A/Kitakyushu/159/1993(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	42	ChEMBL_691497 (CHEMBL1634415)	Inhibition of Influenza A virus (A/Saitama/07/2006(H3N2)) neuraminidase after 30 mins by fluorescence analysis
50004462	43	ChEMBL_691709 (CHEMBL1635260)	Inhibition of Influenza A virus (A/Yokohama/IMS9A-2029/2003(H3N2)) wild type neuraminidase after 30 mins by fluorescence analysis
50004463	1	ChEMBL_690866 (CHEMBL1634228)	Inhibition of gelatinase production in Enterococcus faecalis OG1RF after 5 hrs
50004466	1	ChEMBL_689634 (CHEMBL1635106)	Inhibition of HIV1 integrase strand transfer activity
50004467	1	ChEMBL_694380 (CHEMBL1638138)	Inhibition of human HDAC in HeLa cells by fluorescent activity assay
50004468	1	ChEMBL_699967 (CHEMBL1646374)	Inhibition RNase H activity of HIV1 reverse transcriptase expressed in Escherichia coli stain BL21(DE3)pLysS
50004469	1	ChEMBL_700212 (CHEMBL1647313)	Inhibition of Escherichia coli LpxC
50004470	1	ChEMBL_700226 (CHEMBL1647327)	Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells by sandwich immunoassay
50004471	1	ChEMBL_700952 (CHEMBL1648451)	Agonist activity at human recombinant cannabinoid CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50004471	2	ChEMBL_700954 (CHEMBL1648453)	Antagonist activity at rat cannabinoid CB1 receptor in Wistar rat cerebellar membranes by [35S]GTPgammaS binding assay
50004472	1	ChEMBL_699796 (CHEMBL1645642)	Inhibition of porcine brain tubulin polymerization by microtubule assembly assay
50004473	1	ChEMBL_700038 (CHEMBL1646630)	Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis
50004474	1	ChEMBL_700242 (CHEMBL1647343)	Binding affinity to Mycobacterium tuberculosis H37Rv CYP125A1 C429L mutant expressed in Escherichia coli by titration plot analysis
50004476	1	ChEMBL_698045 (CHEMBL1645796)	Inhibition of oseltamivir-resistant H1N1 swine influenza virus neuraminidase H274Y mutant activity expressed in HEK293T cells after 2 hrs by spectrofluorometry
50004476	2	ChEMBL_698046 (CHEMBL1645797)	Inhibition of Influenza A H9N2 virus neuraminidase activity after 2 hrs by spectrofluorometry
50004476	3	ChEMBL_698043 (CHEMBL1645794)	Inhibition of Influenza A H1N1 virus neuraminidase activity after 2 hrs by spectrofluorometry
50004476	4	ChEMBL_698047 (CHEMBL1645798)	Noncompetitive inhibition of Influenza A H1N1 virus neuraminidase activity by Lineweaver-Burk plot analysis
50004476	5	ChEMBL_698049 (CHEMBL1645800)	Inhibition of Clostridium perfringens neuraminidase
50004476	6	ChEMBL_698044 (CHEMBL1645795)	Inhibition of wild type H1N1 swine influenza virus neuraminidase activity expressed in HEK293T cells after 2 hrs by spectrofluorometry
50004477	1	ChEMBL_698466 (CHEMBL1647398)	Inhibition of 1, 10-phenanthroline-induced HIF1 activation in human T47D cells by HRE3-TK-luciferase reporter gene assay
50004477	2	ChEMBL_698468 (CHEMBL1647400)	Inhibition of hypoxia-induced HIF1 activation in human PC3 cells by HRE3-TK-luciferase reporter gene assay
50004477	3	ChEMBL_698469 (CHEMBL1647401)	Inhibition of 1, 10-phenanthroline-induced HIF1 activation in human PC3 cells by HRE3-TK-luciferase reporter gene assay
50004477	4	ChEMBL_698465 (CHEMBL1647397)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells by HRE3-TK-luciferase reporter gene assay
50004478	1	ChEMBL_699570 (CHEMBL1647928)	Inhibition of HIV1 reverse transcriptase activity after 1 hr by ELISA
50004479	1	ChEMBL_701790 (CHEMBL1656927)	Inhibition of HIV1 reverse transcriptase
50004480	1	ChEMBL_706036 (CHEMBL1662850)	Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP2B
50004480	2	ChEMBL_706037 (CHEMBL1662851)	Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2B
50004480	3	ChEMBL_706038 (CHEMBL1662852)	Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2B
50004480	4	ChEMBL_706019 (CHEMBL1662833)	Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2X
50004480	5	ChEMBL_706020 (CHEMBL1662834)	Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X
50004480	6	ChEMBL_706039 (CHEMBL1662853)	Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2B
50004480	7	ChEMBL_706040 (CHEMBL1662854)	Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2B
50004480	8	ChEMBL_706041 (CHEMBL1662855)	Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2B
50004480	9	ChEMBL_706042 (CHEMBL1662856)	Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2B
50004480	10	ChEMBL_706043 (CHEMBL1662857)	Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2B
50004480	11	ChEMBL_706044 (CHEMBL1662858)	Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2B
50004480	12	ChEMBL_706021 (CHEMBL1662835)	Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X
50004480	13	ChEMBL_706022 (CHEMBL1662836)	Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X
50004480	14	ChEMBL_706023 (CHEMBL1662837)	Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2X
50004480	15	ChEMBL_706024 (CHEMBL1662838)	Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X
50004480	16	ChEMBL_706025 (CHEMBL1662839)	Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X
50004480	17	ChEMBL_706026 (CHEMBL1662840)	Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X
50004480	18	ChEMBL_706006 (CHEMBL1662820)	Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A
50004480	19	ChEMBL_706007 (CHEMBL1662821)	Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A
50004480	20	ChEMBL_706008 (CHEMBL1662822)	Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A
50004480	21	ChEMBL_706000 (CHEMBL1662814)	Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A
50004480	22	ChEMBL_706001 (CHEMBL1662815)	Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A
50004480	23	ChEMBL_706002 (CHEMBL1662816)	Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A
50004480	24	ChEMBL_706003 (CHEMBL1662817)	Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A
50004480	25	ChEMBL_706004 (CHEMBL1662818)	Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A
50004480	26	ChEMBL_706005 (CHEMBL1662819)	Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A
50004481	1	ChEMBL_705547 (CHEMBL1661163)	Inhibition of HIV1 isolate R8 reverse transcriptase after 90 mins
50004481	2	ChEMBL_705572 (CHEMBL1661188)	Inhibition of HIV1 isolate R8 reverse transcriptase K103N mutant after 90 mins by electrochemiluminescence analysis
50004481	3	ChEMBL_705571 (CHEMBL1661187)	Inhibition of HIV1 isolate R8 reverse transcriptase Y181C mutant after 90 mins by electrochemiluminescence analysis
50004482	1	ChEMBL_708879 (CHEMBL1664948)	Competitive inhibition of Acetyltransferase activity of Escherichia coli BL21(DE3) GlmU in presence of AcCoA
50004483	1	ChEMBL_708714 (CHEMBL1667056)	Inhibition of methicillin-susceptible Staphylococcus aureus ATCC 29213 PBP 2
50004483	2	ChEMBL_708715 (CHEMBL1667057)	Inhibition of methicillin-susceptible Staphylococcus aureus ATCC 29213 PBP 3
50004483	3	ChEMBL_708716 (CHEMBL1667058)	Inhibition of methicillin-susceptible Staphylococcus aureus ATCC 29213 PBP 4
50004483	4	ChEMBL_708725 (CHEMBL1667067)	Binding affinity to methicillin-susceptible Staphylococcus aureus PBP 1
50004483	5	ChEMBL_708726 (CHEMBL1667068)	Binding affinity to methicillin-susceptible Staphylococcus aureus PBP 2
50004483	6	ChEMBL_708728 (CHEMBL1667070)	Binding affinity to methicillin-susceptible Staphylococcus aureus PBP 4
50004483	7	ChEMBL_708737 (CHEMBL1667079)	Binding affinity to methicillin-resistant Staphylococcus aureus MF535HR PBP 2a by competitive binding assay
50004483	8	ChEMBL_708519 (CHEMBL1666333)	Inhibition of methicillin-susceptible Staphylococcus aureus ATCC 29213 PBP 1
50004483	9	ChEMBL_708717 (CHEMBL1667059)	Inhibition of methicillin-resistant Staphylococcus aureus OC 3726 PBP 2a
50004483	10	ChEMBL_708727 (CHEMBL1667069)	Binding affinity to methicillin-susceptible Staphylococcus aureus PBP 3
50004483	11	ChEMBL_708723 (CHEMBL1667065)	Inhibition of methicillin-resistant Staphylococcus aureus PBP 2a
50004484	1	ChEMBL_712673 (CHEMBL1660416)	Inhibition of HIV1 Reverse transcriptase P119S mutant
50004484	2	ChEMBL_712674 (CHEMBL1660417)	Inhibition of HIV1 Reverse transcriptase T165A mutant
50004484	3	ChEMBL_712675 (CHEMBL1660418)	Inhibition of HIV1 Reverse transcriptase M184V mutant
50004484	4	ChEMBL_712676 (CHEMBL1660419)	Inhibition of HIV1 Reverse transcriptase P119S/T165A mutant
50004484	5	ChEMBL_712677 (CHEMBL1660420)	Inhibition of HIV1 Reverse transcriptase P119S/M184V mutant
50004484	6	ChEMBL_712679 (CHEMBL1660422)	Inhibition of HIV1 Reverse transcriptase P119S/T165A/M184V mutant
50004484	7	ChEMBL_712672 (CHEMBL1660415)	Inhibition of wild-type HIV1 Reverse transcriptase
50004485	1	ChEMBL_715432 (CHEMBL1664817)	Inhibition of HIV1 reverse transcriptase
50004486	1	ChEMBL_715372 (CHEMBL1664701)	Inhibition of HIV1 protease
50004487	1	ChEMBL_717873 (CHEMBL1670581)	Inhibition of HIV-1 integrase after 1 hr by immunosorbent assay
50004487	2	ChEMBL_717874 (CHEMBL1670582)	Inhibition of recombinant HIV-1 reverse transcriptase RNase H domain after 10 mins
50004489	1	ChEMBL_717540 (CHEMBL1671032)	Inhibition of HIV-1 integrase after 1 hr by ELISA
50004490	1	ChEMBL_717766 (CHEMBL1671440)	Inhibition of full-length recombinant HIV1 integrase
50004491	1	ChEMBL_718125 (CHEMBL1671578)	Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex membranes after 30 mins by scintillation counting
50004492	1	ChEMBL_716864 (CHEMBL1670843)	Inhibition of Escherichia coli LpxC
50004493	1	ChEMBL_721311 (CHEMBL1675423)	Binding affinity to HIV1 reverse transcriptase
50004494	1	ChEMBL_722004 (CHEMBL1675619)	Inhibition of RNA-dependent DNA polymerase activity of wild-type Human immunodeficiency virus 1 subtype B reverse transcriptase by filter-based filtration assay
50004494	2	ChEMBL_722006 (CHEMBL1675621)	Inhibition of Human immunodeficiency virus 1 subtype B reverse transcriptase Y181C mutant by filter-based filtration assay
50004494	3	ChEMBL_722009 (CHEMBL1675624)	Inhibition of DNA-dependent DNA polymerase activity of wild-type Human immunodeficiency virus 1 subtype B reverse transcriptase G190A mutant by filter-based filtration assay
50004494	4	ChEMBL_722010 (CHEMBL1675625)	Inhibition of DNA-dependent DNA polymerase activity of wild-type Human immunodeficiency virus 1 subtype B reverse transcriptase Y181C mutant by filter-based filtration assay
50004494	5	ChEMBL_722008 (CHEMBL1675623)	Inhibition of Human immunodeficiency virus 1 subtype B reverse transcriptase DNA-dependent DNA polymerase activity by gel-based primer extension assay
50004494	6	ChEMBL_722005 (CHEMBL1675620)	Inhibition of Human immunodeficiency virus 1 subtype B reverse transcriptase G190A mutant by filter-based filtration assay
50004495	1	ChEMBL_725994 (CHEMBL1678590)	Inhibition of Streptococcus pneumoniae isolate 8882 Bocillin FL binding to PBP2b 443SSNA mutant
50004495	2	ChEMBL_725995 (CHEMBL1678591)	Inhibition of Bocillin FL binding to PBP2b PBP2b 443SSNA mutant in Streptococcus pneumoniae isolate 8009 harboring E333G, N470K, E476G, T489S, E506D, and N538D mutant genes
50004495	3	ChEMBL_726000 (CHEMBL1678596)	Inhibition of Bocillin FL binding to PBP2b in laboratory-derived Streptococcus pneumoniae isolate R6
50004495	4	ChEMBL_726001 (CHEMBL1678597)	Inhibition of Bocillin FL binding to PBP2b Thr446Ala mutant in laboratory-derived Streptococcus pneumoniae isolate R6
50004495	5	ChEMBL_725993 (CHEMBL1678589)	Inhibition of Bocillin FL binding to Streptococcus pneumoniae isolate 8865 PBP2b
50004495	6	ChEMBL_725996 (CHEMBL1678592)	Inhibition of Bocillin FL binding to PBP2b in Streptococcus pneumoniae isolate 8819 harboring E333G, I361L, E369D, S412P, N422Y, T426K, Q427L, Q438E, L455I, S473T, E476G, S480A, T489A, N538D, D561E, Q564K, and D625G mutant genes
50004495	7	ChEMBL_726002 (CHEMBL1678598)	Inhibition of Bocillin FL binding to PBP2b Thr446Ala/Ala-619-Gly mutant in laboratory-derived Streptococcus pneumoniae isolate R6
50004496	1	ChEMBL_723188 (CHEMBL1675410)	Displacement of [3H]PiB from human amyloid beta (1-40) at 100 nM after 180 mins by liquid scintillation counter
50004496	2	ChEMBL_723189 (CHEMBL1675411)	Displacement of [3H]PiB from human amyloid beta (1-42) at 100 nM after 180 mins by liquid scintillation counter
50004497	1	ChEMBL_718270 (CHEMBL1679574)	Binding affinity to HIV1 reverse transcriptase by surface plasmon resonance based biosensor assay
50004497	2	ChEMBL_718271 (CHEMBL1679575)	Inhibition of HIV1 reverse transcriptase
50004498	1	ChEMBL_722510 (CHEMBL1675359)	Inhibition of Human immunodeficiency virus 1 integrase
50004498	2	ChEMBL_722511 (CHEMBL1675360)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity
50004499	1	ChEMBL_726809 (CHEMBL1686409)	Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras
50004500	1	ChEMBL_727762 (CHEMBL1686121)	Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase
50004501	1	ChEMBL_728017 (CHEMBL1686815)	Inhibition of HTLV-1 protease L40I mutant by fluorimetric assay
50004502	1	ChEMBL_727385 (CHEMBL1685113)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
50004502	2	ChEMBL_727386 (CHEMBL1685114)	Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis
50004503	1	ChEMBL_729468 (CHEMBL1696265)	Inhibition of HDAC activity in human NB4 cells assessed as acetylation of histone H3 after 24 hrs by Western blot analysis
50004503	2	ChEMBL_729470 (CHEMBL1696267)	Inhibition of HDAC activity in human NB4 cells assessed as acetylation of histone H4 after 24 hrs by Western blot analysis
50004504	1	ChEMBL_730544 (CHEMBL1697631)	Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b large subunit F270L mutant after 24 hrs by equilibrium dialysis method
50004504	2	ChEMBL_730545 (CHEMBL1697632)	Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b small subunit N184S mutant after 24 hrs by equilibrium dialysis method
50004504	3	ChEMBL_730543 (CHEMBL1697630)	Binding affinity to recombinant drug-resistant Leishmania donovani LdDR50 topoisomerase 1b large subunit F270L, K430N mutant after 24 hrs by equilibrium dialysis method
50004505	1	ChEMBL_731131 (CHEMBL1697537)	Inhibition of Candida glabrata isolate 5416 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p W1375L mutant
50004505	2	ChEMBL_731120 (CHEMBL1697526)	Inhibition of Candida glabrata isolate 5847 1,3-beta-D-glucan synthase Fks1p S629P mutant/wild type Fks2p
50004505	3	ChEMBL_731121 (CHEMBL1697527)	Inhibition of Candida glabrata isolate 21900 1,3-beta-D-glucan synthase Fks1p D632G mutant/wild type Fks2p
50004505	4	ChEMBL_731129 (CHEMBL1697535)	Inhibition of Candida glabrata isolate 42031 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666E mutant
50004505	5	ChEMBL_731119 (CHEMBL1697525)	Inhibition of Candida glabrata isolate 42997 1,3-beta-D-glucan synthase Fks1p F625S mutant/wild type Fks2p
50004505	6	ChEMBL_731122 (CHEMBL1697528)	Inhibition of Candida glabrata isolate 3169 1,3-beta-D-glucan synthase Fks1p D632E mutant/wild type Fks2p
50004505	7	ChEMBL_731125 (CHEMBL1697531)	Inhibition of Candida glabrata isolate 234 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659V mutant
50004505	8	ChEMBL_731126 (CHEMBL1697532)	Inhibition of Candida glabrata isolate 41026 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p F659S mutant
50004505	9	ChEMBL_731127 (CHEMBL1697533)	Inhibition of Candida glabrata isolate 3830 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p S663P mutant
50004505	10	ChEMBL_731130 (CHEMBL1697536)	Inhibition of Candida glabrata isolate 51916 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p P667T mutant
50004505	11	ChEMBL_731128 (CHEMBL1697534)	Inhibition of Candida glabrata isolate 41400 1,3-beta-D-glucan synthase wild type Fks1p/Fks2p D666G mutant
50004506	1	ChEMBL_732391 (CHEMBL1690093)	Mixed non-competitive inhibition of HIV1 reverse transcriptase activity
50004506	2	ChEMBL_732390 (CHEMBL1690092)	Binding affinity to recombinant HIV1 reverse transcriptase by isothermal calorimetry
50004506	3	ChEMBL_732403 (CHEMBL1690218)	Inhibition of HIV1 HXB2 reverse transcriptase K103N mutant activity by primer extension assay
50004506	4	ChEMBL_732389 (CHEMBL1690091)	Inhibition of HIV1 reverse transcriptase activity by primer extension assay
50004508	1	ChEMBL_734777 (CHEMBL1692673)	Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintillation counting
50004510	1	ChEMBL_735834 (CHEMBL1694226)	Inhibition of Human immunodeficiency virus 1 reverse transcriptase
50004511	1	ChEMBL_734864 (CHEMBL1693126)	Inhibition of HIV1 3B reverse transcriptase activity
50004511	2	ChEMBL_734861 (CHEMBL1693123)	Inhibition of HIV1 3B reverse transcriptase activity infected in human H9 cells assessed as level of p24 antigen
50004512	1	ChEMBL_740706 (CHEMBL1763768)	Inhibition of HTLV-1 recombinant protease L40I mutant
50004513	1	ChEMBL_740785 (CHEMBL1763886)	Inhibition of HIV-1 reverse transcriptase
50004513	2	ChEMBL_740786 (CHEMBL1763887)	Inhibition of HIV1 integrase 3'-end processing activity
50004513	3	ChEMBL_740783 (CHEMBL1763884)	Inhibition of HIV1 integrase strand transfer activity
50004514	1	ChEMBL_741158 (CHEMBL1764480)	Competitive inhibition of human recombinant AKR1C1 Leu308Val mutant by fluorescence assay
50004514	2	ChEMBL_741159 (CHEMBL1764481)	Competitive inhibition of human recombinant AKR1C1 Leu308Ala mutant by fluorescence assay
50004514	3	ChEMBL_741161 (CHEMBL1764483)	Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay
50004514	4	ChEMBL_741156 (CHEMBL1764478)	Competitive inhibition of human recombinant AKR1C1 Leu306Ala mutant by fluorescence assay
50004514	5	ChEMBL_741160 (CHEMBL1764482)	Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay
50004514	6	ChEMBL_741155 (CHEMBL1764477)	Competitive inhibition of human recombinant AKR1C1 Leu54Val mutant by fluorescence assay
50004515	1	ChEMBL_741481 (CHEMBL1763796)	Inhibition of HDAC in human HeLa cells by fluorescent activity assay
50004516	1	ChEMBL_741066 (CHEMBL1764294)	Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 by spectrophotometric analysis
50004517	1	ChEMBL_740315 (CHEMBL1764261)	Antagonist activity at human CD36-oxLDL binding after 2 hrs by ELISA
50004518	1	ChEMBL_740498 (CHEMBL1764653)	Inhibition of Human immunodeficiency virus 1 NL4.3 reverse transcriptase activity
50004519	1	ChEMBL_739793 (CHEMBL1762853)	Inhibition of Escherichia coli Thymidine phosphorylase by spectrophotometry
50004520	1	ChEMBL_740259 (CHEMBL1764159)	Inhibition of human recombinant NR1/NR2B receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay
50004520	2	ChEMBL_740260 (CHEMBL1764160)	Inhibition of human recombinant NR1/NR2A receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay
50004521	1	ChEMBL_740432 (CHEMBL1764546)	Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry
50004522	1	ChEMBL_741509 (CHEMBL1769292)	Inhibition of HIV1 reverse transcriptase K103N mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by scintillation counting
50004522	2	ChEMBL_741510 (CHEMBL1769293)	Inhibition of HIV1 reverse transcriptase L100I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by scintillation counting
50004522	3	ChEMBL_741511 (CHEMBL1769294)	Inhibition of HIV1 wild type reverse transcriptase expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by scintillation counting
50004522	4	ChEMBL_741508 (CHEMBL1769291)	Inhibition of HIV1 reverse transcriptase Y181I mutant expressed in Escherichia coli assessed as incorporation of [3H]dTTP into poly(rA)/oligo(dT) by scintillation counting
50004523	1	ChEMBL_741751 (CHEMBL1769850)	Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA substrate by fluorescence assay
50004524	1	ChEMBL_743750 (CHEMBL1767564)	Inhibition of wild type HIV-1 reverse transcriptase-mediated polymerization reaction after 30 mins
50004524	2	ChEMBL_743752 (CHEMBL1767610)	Inhibition of HIV-1 reverse transcriptase E138K mutant-mediated polymerization reaction after 30 mins
50004524	3	ChEMBL_743751 (CHEMBL1767565)	Inhibition of HIV-1 reverse transcriptase K101E mutant-mediated polymerization reaction after 30 mins
50004525	1	ChEMBL_745100 (CHEMBL1772226)	Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay
50004525	2	ChEMBL_745101 (CHEMBL1772227)	Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole cell assay
50004527	1	ChEMBL_745115 (CHEMBL1772294)	Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyloid beta (1 to 40) production by DELFIA-based immunoassay
50004527	2	ChEMBL_745116 (CHEMBL1772295)	Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 40) production by whole cell assay
50004528	1	ChEMBL_744494 (CHEMBL1772515)	Inhibition of HIV1 integrase 3' processing activity after 1 hr by gel based assay in presence of magnesium
50004528	2	ChEMBL_744496 (CHEMBL1772517)	Inhibition of HIV1 integrase strand transfer activity after 1 hr by gel based assay in presence of magnesium
50004529	1	ChEMBL_744549 (CHEMBL1772570)	Inhibition of PKC activation in PMA-treated human fibroblasts assessed as inhibition of translocation to plasma membrane cells pretreated for 1 hr followed by 15 mins challenged with PMA by Western blot/densitometric analysis
50004530	1	ChEMBL_744911 (CHEMBL1771870)	Inhibition of human chymase
50004531	1	ChEMBL_744576 (CHEMBL1772597)	Inhibition of purified N-terminal GST-tagged LRRK2 G2019S mutant autophosphorylation activity using [gamma32-P]ATP
50004531	2	ChEMBL_744578 (CHEMBL1772599)	Inhibition of purified N-terminal GST-tagged LRRK2 G2019S mutant autophosphorylation activity using myelin basic protein as substrate
50004532	1	ChEMBL_744789 (CHEMBL1772810)	Inhibition of Candida albicans BWP17 1,3-beta-glucan synthase
50004533	1	ChEMBL_744134 (CHEMBL1771833)	Antagonist activity at human EP3 receptor expressed in CHO cells assessed as inhibition of PGE2-induced increase in intracellular calcium concentration after 1 hr by FLIPR assay
50004534	1	ChEMBL_745353 (CHEMBL1775473)	Inhibition of Staphylococcus aureus FASF assessed as [2-14C]-malonyl CoA incorporation after 90 mins by cell free-based scintillation counting
50004535	1	ChEMBL_745707 (CHEMBL1776077)	Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis
50004536	1	ChEMBL_746007 (CHEMBL1775351)	Inhibition of wild-type Staphylococcus aureus DNA gyrase assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophoresis assay
50004536	2	ChEMBL_746085 (CHEMBL1775520)	Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophoresis assay
50004537	1	ChEMBL_746336 (CHEMBL1777555)	Inhibition of HIV-1 integrase strand transfer activity by scintillation proximity assay
50004538	1	ChEMBL_746211 (CHEMBL1775602)	Displacement of [125I]TZDM from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting
50004538	2	ChEMBL_746212 (CHEMBL1775603)	Displacement of [3H]PIB from amyloid beta (1 to 42) aggregates in Alzheimer's disease-human brain homogenate after 3 hrs by gamma counting
50004539	1	ChEMBL_746287 (CHEMBL1775949)	Inhibition of pig brain tubulin polymerization by spectrophotometry
50004540	1	ChEMBL_746078 (CHEMBL1775513)	Inhibition of HIV1 recombinant integrase 3'-processing activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis
50004540	2	ChEMBL_746079 (CHEMBL1775514)	Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 30 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis
50004540	3	ChEMBL_746080 (CHEMBL1775515)	Inhibition of HIV1 recombinant integrase 3'-processing activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis in presence of cofactor magnesium
50004540	4	ChEMBL_746081 (CHEMBL1775516)	Inhibition of HIV1 recombinant integrase 3'-processing activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis in presence of cofactor manganese
50004540	5	ChEMBL_746082 (CHEMBL1775517)	Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis in presence of cofactor magnesium
50004540	6	ChEMBL_746704 (CHEMBL1776829)	Inhibition of HIV1 recombinant integrase strand transfer activity expressed in Escherichia coli after 60 mins using [32P]-labeled oligonucleotide as a substrate by densitometric analysis in presence of cofactor manganese
50004541	1	ChEMBL_747688 (CHEMBL1780797)	Inhibition of Voltage-dependent L-type calcium channel in rat thoracic aorta ring
50004542	1	ChEMBL_748812 (CHEMBL1781660)	Inhibition of HSP90 in human H1299 cells assessed as degradation of Akt protein after 24 hrs by luminex assay
50004543	1	ChEMBL_752072 (CHEMBL1786236)	Inhibition of human trypsin using hilyte fuor 488-labeled casein as substrate after 30 mins by green protease fluorometric assay
50004545	1	ChEMBL_749291 (CHEMBL1785226)	Inhibition of HIV1 integrase 3' processing activity
50004546	1	ChEMBL_750575 (CHEMBL1786439)	Inhibition of HIV1 protease activity
50004546	2	ChEMBL_750572 (CHEMBL1786436)	Antiviral activity against HIV1 Reverse transcriptase activity
50004547	1	ChEMBL_752719 (CHEMBL1798305)	Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 42 formation after 16 hrs by ELISA
50004547	2	ChEMBL_752720 (CHEMBL1798306)	Inhibition of gamma-secretase in human SHSY5Y cells expressing Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta 40 formation after 16 hrs by ELISA
50004548	1	ChEMBL_754350 (CHEMBL1799216)	Antagonist activity at human recombinant GABA A receptor alpha1beta2gamma2S expressed in HEK293 cells assessed as inhibition of GABA-induced current by patch clamp electrophysiology
50004549	1	ChEMBL_756320 (CHEMBL1805133)	Binding affinity to NR1/NR2B receptor
50004549	2	ChEMBL_756412 (CHEMBL1803134)	Antagonist activity at NR1/NR2B receptor assessed as inhibition of Glu/Gly induced Ca2+ influx
50004549	3	ChEMBL_756411 (CHEMBL1803133)	Antagonist activity against NR1/NR2B receptor
50004549	4	ChEMBL_756308 (CHEMBL1805121)	Displacement of [3H]-Ro-256981 from recombinant NR1/NR2B receptor
50004549	5	ChEMBL_756313 (CHEMBL1805126)	Antagonist activity against NR1a/NR2B receptor transfected in human HEK293 cells assessed as inhibition of NMDA-induced Ca2+ influx
50004549	6	ChEMBL_756310 (CHEMBL1805123)	Antagonist activity at human NR1a/NR2B receptor expressed in mouse fibroblast LMTK cells assessed as inhibition of Glu/Gly induced Ca2+ influx
50004549	7	ChEMBL_756410 (CHEMBL1803132)	Antagonist activity against NR1/NR2B receptor expressed in xenopus oocytes assessed as inhibition of NMDA induced Ca2+ influx
50004550	1	ChEMBL_757006 (CHEMBL1803755)	Binding affinity to human Hsp90 N-terminal domain (1 to 241) expressed in insect Sf9 cells by SPR analysis in presence of 20 uM geldanamycin
50004550	2	ChEMBL_756968 (CHEMBL1803607)	Binding affinity to human full length Hsp90 expressed in insect Sf9 cells by SPR analysis
50004550	3	ChEMBL_756969 (CHEMBL1803608)	Binding affinity to human Hsp90 N-terminal domain (1 to 241) expressed in insect Sf9 cells by SPR analysis
50004551	1	ChEMBL_755967 (CHEMBL1803857)	Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis
50004552	1	ChEMBL_755992 (CHEMBL1803968)	Inhibition of RNase H activity of his6-tagged HIV1 HXB2 reverse transcriptase p66/p51 expressed in Escherichia coli assessed as substrate cleavage at polypurine tract by PAGE-based fluorescent imaging method
50004553	1	ChEMBL_756692 (CHEMBL1805157)	Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA binary complex
50004553	2	ChEMBL_756691 (CHEMBL1805156)	Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA binary complex
50004553	3	ChEMBL_756690 (CHEMBL1805155)	Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA binary complex
50004553	4	ChEMBL_756689 (CHEMBL1805154)	Inhibition of HIV1 free reverse transcriptase V179D mutant
50004553	5	ChEMBL_756688 (CHEMBL1805153)	Inhibition of HIV1 free reverse transcriptase L100I mutant
50004553	6	ChEMBL_756686 (CHEMBL1805151)	Inhibition of HIV1 free wild type reverse transcriptase
50004553	7	ChEMBL_756685 (CHEMBL1805150)	Inhibition of HIV1 reverse transcriptase V179D mutant
50004553	8	ChEMBL_756684 (CHEMBL1805149)	Inhibition of HIV1 reverse transcriptase L100I mutant
50004553	9	ChEMBL_756683 (CHEMBL1805148)	Inhibition of HIV1 reverse transcriptase K103N mutant
50004553	10	ChEMBL_756682 (CHEMBL1805147)	Inhibition of HIV1 wild type reverse transcriptase
50004553	11	ChEMBL_756694 (CHEMBL1805159)	Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA/dTTP ternary complex
50004553	12	ChEMBL_756693 (CHEMBL1805158)	Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA binary complex
50004553	13	ChEMBL_756696 (CHEMBL1805161)	Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex
50004553	14	ChEMBL_756695 (CHEMBL1805160)	Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex
50004553	15	ChEMBL_756687 (CHEMBL1805152)	Inhibition of HIV1 free reverse transcriptase K103N mutant
50004553	16	ChEMBL_756697 (CHEMBL1805162)	Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex
50004554	1	ChEMBL_754797 (CHEMBL1805652)	Inhibition of IKK in human A549 cells assessed as inhibition of TNF-alpha-induced IkappaB phosphorylation preincubated for 30 mins before TNFalpha challenge
50004555	1	ChEMBL_755189 (CHEMBL1805968)	Inhibition of HIV1 reverse transcriptase Y181C mutant by SPA assay
50004555	2	ChEMBL_755188 (CHEMBL1805967)	Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay
50004555	3	ChEMBL_755187 (CHEMBL1805966)	Inhibition of wild type HIV1 reverse transcriptase by SPA assay
50004555	4	ChEMBL_755374 (CHEMBL1804530)	Inhibition of HIV1 reverse transcriptase Y181C mutant by electrochemiluminescent assay
50004556	1	ChEMBL_758787 (CHEMBL1810335)	Inhibition of HDAC in human HeLa cells using Ac-Arg-Gly-Lys(Ac)-AMC as fluorescent substrate after 20 mins by fluorescence assay
50004557	1	ChEMBL_757888 (CHEMBL1809305)	Inhibition of HIV1 wild type RT using poly(rA)/oligo(dT)15 homopolymer template after 1 hrs by ELISA
50004558	1	ChEMBL_757810 (CHEMBL1809754)	Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method
50004559	1	ChEMBL_758401 (CHEMBL1811267)	Inhibition of HIV1 reverse transcriptase assessed as residual enzyme activity at 50 uM after 1 hr by ELISA
50004560	1	ChEMBL_759422 (CHEMBL1810748)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta42 level after 48 hrs by AlphaLISA assay
50004560	2	ChEMBL_759423 (CHEMBL1810749)	Inhibition of gamma-secretase in human SHSY5Y cells expressing human recombinant Swedish variant of APP K595N/M596L assessed as reduction of amyloid beta40 level after 48 hrs by AlphaLISA assay
50004561	1	ChEMBL_761290 (CHEMBL1816744)	Displacement of [3H]colchicine from biotinylated pig brain tubulin after 2 hrs by competitive scintillation proximity assay
50004561	2	ChEMBL_761289 (CHEMBL1816743)	Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis
50004562	1	ChEMBL_762755 (CHEMBL1816006)	Modulation of gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in amyloid beta42 production after 20 to 24 hrs by liquid phase electrochemiluminescence assay
50004562	2	ChEMBL_762751 (CHEMBL1816002)	Modulation of gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in amyloid beta38 production after 20 to 24 hrs by liquid phase electrochemiluminescence assay
50004562	3	ChEMBL_762753 (CHEMBL1816004)	Modulation of gamma-secretase activity in human H4 cells expressing APP695 assessed as increase in amyloid beta40 production after 20 to 24 hrs by liquid phase electrochemiluminescence assay
50004563	1	ChEMBL_762831 (CHEMBL1816188)	Inhibition of HIV1 recombinant integrase 3'-processing and strand transfer activity using 21-mer U5B/U5A duplex oligonucleotides after 1 hr
50004563	2	ChEMBL_762832 (CHEMBL1816189)	Inhibition of HIV1 integrase
50004564	1	ChEMBL_762390 (CHEMBL1816563)	Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-5'-end-labeled 5'-ACTGCTAGAGATTTTCCACAC-3' as substrate after 1 hr
50004564	2	ChEMBL_762389 (CHEMBL1816562)	Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-5'-end-labeled 5'-ACTGCTAGAGATTTTCCACAC-3' as substrate after 1 hr
50004565	1	ChEMBL_762411 (CHEMBL1816584)	Inhibition of influenza A/WSN/1933 (H1N1) virus neuraminidase N1 using MUNANA substrate by fluorimetric assay
50004567	1	ChEMBL_763964 (CHEMBL1820047)	Inhibition of Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continuous fluorometric assay
50004568	1	ChEMBL_766559 (CHEMBL1827040)	Inhibition of full length B-Raf V600E mutant
50004569	1	ChEMBL_766930 (CHEMBL1828155)	Binding affinity to BRAF V600E mutant
50004569	2	ChEMBL_766931 (CHEMBL1828156)	Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells
50004570	1	ChEMBL_767399 (CHEMBL1825511)	Inhibition of hypoxia-induced HIF1 activation in human LN229 cells expressing HRE-AP reporter gene preincubated for 1 hr under normoxia condition followed by 24 hrs incubation under hypoxia condition by HRE-luciferase reporter assay
50004571	1	ChEMBL_768437 (CHEMBL1832156)	Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 as substrate by spectrophotometry
50004572	1	ChEMBL_768876 (CHEMBL1831952)	Binding affinity to HIV1 reverse transcriptase assessed as L-3'-azido-NTP incorporation in nascent DNA
50004572	2	ChEMBL_768886 (CHEMBL1832053)	Binding affinity to HIV1 reverse transcriptase M184V mutant assessed as L-3'-azido-NTP incorporation in nascent DNA
50004573	1	ChEMBL_768443 (CHEMBL1832162)	Inhibition of wild-type HIV1 subtype B reverse transcriptase assessed as incorporation of [3H]dTTP
50004574	1	ChEMBL_769639 (CHEMBL1833572)	Inhibition of HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into enzyme by colorimetry
50004575	1	ChEMBL_770448 (CHEMBL1833757)	Inhibition of wild type HIV1 reverse transcriptase
50004576	1	ChEMBL_772762 (CHEMBL1837501)	Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay
50004576	2	ChEMBL_772764 (CHEMBL1837503)	Inhibition of gamma-secretase-mediated notch cleavage in human SNC-204B8 cells after 16 hrs by luciferase reporter gene assay
50004577	1	ChEMBL_772373 (CHEMBL1838972)	Inhibition of human recombinant full-length FAK assessed as remaining ATP after 4 hrs by Kinase-Glo-luminescence assay
50004578	1	ChEMBL_771986 (CHEMBL1837306)	Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptase p66/p51 heterodimer using [8-3H]dGTP as substrate after 30 mins by liquid scintillation counting
50004579	1	ChEMBL_772987 (CHEMBL1837906)	Inhibition of Human immunodeficiency virus 1 protease activity after 60 mins by HPLC analysis
50004580	1	ChEMBL_772623 (CHEMBL1839709)	Inhibition of pig brain tubulin polymerization at 37 degC by turbidimetry analysis
50004581	1	ChEMBL_776653 (CHEMBL1913750)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay
50004581	2	ChEMBL_776654 (CHEMBL1913751)	Inhibition of 1, 10-phenanthroline-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay
50004582	1	ChEMBL_776071 (CHEMBL1912767)	Inhibition of HDAC in human HeLa cell extract assessed as fluorophore release by fluorescence spectrophotometry
50004583	1	ChEMBL_776095 (CHEMBL1912791)	Inhibition of HIV1 integrase-mediated 3' processing of viral DNA after 30 mins by PAGE
50004583	2	ChEMBL_776096 (CHEMBL1912792)	Inhibition of HIV1 integrase-mediated single strand tansfer of viral DNA after 30 mins by PAGE
50004584	1	ChEMBL_775599 (CHEMBL1913283)	Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spectrophotometric analysis
50004585	1	ChEMBL_787739 (CHEMBL1918322)	Inhibition of HIV1 integrase strand transfer by biochemical assay
50004586	1	ChEMBL_788178 (CHEMBL1919325)	Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins
50004587	1	ChEMBL_787194 (CHEMBL1918864)	Competitive inhibition of Escherichia coli Isoleucyl-tRNA synthetase
50004588	1	ChEMBL_785307 (CHEMBL1921486)	Inhibition of bovine cathepsin B after 1 hr by fluorescence assay
50004589	1	ChEMBL_787715 (CHEMBL1918257)	Inhibition of gamma-secretase-mediated cleavage of human amyloid beta protein expressed in human H4 cells assessed as reduction in amyloid beta42 production by ELISA technique
50004590	1	ChEMBL_790322 (CHEMBL1925775)	Inhibition of Mycobacterium tuberculosis MraY translocase
50004591	1	ChEMBL_794322 (CHEMBL1932244)	Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 measured after 60 mins by HPLC analysis
50004591	2	ChEMBL_794323 (CHEMBL1932245)	Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 preincubated for 20 mins before substrate addition and measured after 60 mins by HPLC analysis
50004592	1	ChEMBL_792578 (CHEMBL1930122)	Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay
50004593	1	ChEMBL_792908 (CHEMBL1929754)	Inhibition of strand transfer activity of HIV1 integrase
50004593	2	ChEMBL_792907 (CHEMBL1929753)	Inhibition of terminal cleavage activity of HIV1 integrase
50004594	1	ChEMBL_792308 (CHEMBL1931009)	Binding affinity to human amyloid beta (1 to 42) fibril by fluorescence intensity assay
50004595	1	ChEMBL_792480 (CHEMBL1929810)	Inhibition of porcine brain tubulin polymerization after 60 mins
50004596	1	ChEMBL_791578 (CHEMBL1930715)	Inhibition of Human immunodeficiency virus 1 integrase-mediated strand transfer activity after 1 hr
50004597	1	ChEMBL_791581 (CHEMBL1930718)	Binding affinity to Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and ATP by fluorometric analysis
50004597	2	ChEMBL_791582 (CHEMBL1930719)	Inhibition of Escherichia coli HPPK using 6-hydroxymethyl-7,8-dihydropterin as substrate and [32P]-ATP
50004598	1	ChEMBL_796098 (CHEMBL1936968)	Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogenic substrate
50004599	1	ChEMBL_795758 (CHEMBL1936645)	Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay
50004600	1	ChEMBL_794696 (CHEMBL1937305)	Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay
50004601	1	ChEMBL_797245 (CHEMBL1942646)	Displacement of [3H]cytisine from nAChR alpha4beta2 in rat brain membrane
50004601	2	ChEMBL_796823 (CHEMBL1943853)	Agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay
50004601	3	ChEMBL_796838 (CHEMBL1943868)	Agonist activity at human nAChR alpha2beta4 receptor expressed in K177 cells assessed as stimulation of calcium efflux
50004601	4	ChEMBL_796827 (CHEMBL1943857)	Partial agonist activity at human nAChR alpha4beta2 receptor expressed in human HEK293 cells assessed as calcium flux by FLIPR assay
50004601	5	ChEMBL_796837 (CHEMBL1943867)	Displacement of [3H]cytisine from human nAChR alpha2beta4 receptor expressed in human K177 cells
50004602	1	ChEMBL_798903 (CHEMBL1943410)	Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay
50004603	1	ChEMBL_799337 (CHEMBL1941974)	Inhibition of HIF1 in human LN229 cells after 1 hr preincubation under hypoxic condition measured after 24 hrs by luciferase reporter gene assay
50004604	1	ChEMBL_798334 (CHEMBL1943822)	Inhibition of full-length B-Raf V600E mutant
50004604	2	ChEMBL_798335 (CHEMBL1943823)	Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells
50004605	1	ChEMBL_800395 (CHEMBL1948326)	Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis
50004605	2	ChEMBL_800394 (CHEMBL1948325)	Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis
50004605	3	ChEMBL_800393 (CHEMBL1948324)	Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after 60 mins by scintillation counting
50004606	1	ChEMBL_804150 (CHEMBL1953898)	Inhibition of Hepatitis C virus NS5B Cdelta 21 RNA dependent RNA polymerase S282T mutant expressed in Escherichia coli BL21(DE3)
50004607	1	ChEMBL_802814 (CHEMBL1953548)	Inhibition of N-terminus His6-tagged Braf V600E mutant expressed in insect Sf9 cells assessed as Mek phosphorylation after 2 hrs by ELISA
50004607	2	ChEMBL_802818 (CHEMBL1953552)	Inhibition of CSFR1
50004607	3	ChEMBL_802819 (CHEMBL1953553)	Inhibition of Flt3
50004607	4	ChEMBL_802820 (CHEMBL1953554)	Inhibition of KDR
50004607	5	ChEMBL_802821 (CHEMBL1953555)	Inhibition of cABL
50004607	6	ChEMBL_802815 (CHEMBL1953549)	Inhibition of Braf V600E mutant-mediated Erk phosphorylation in human SK-MEL-28 cells after 4 hrs by Western blot analysis
50004608	1	ChEMBL_803900 (CHEMBL1954587)	Corrector activity at human CFTR delta F508 mutant expressed in rat FRT cells coexpressing fluorescent protein YFP-H148Q/1152L by fluorescence assay
50004609	1	ChEMBL_802466 (CHEMBL1955040)	Inhibition of B-Raf V600E mutant-mediated ERK phosphorylation in human WM266.4 cells by ELISA
50004610	1	ChEMBL_807276 (CHEMBL1960369)	Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis
50004611	1	ChEMBL_805735 (CHEMBL1960758)	Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis
50004612	1	ChEMBL_806216 (CHEMBL1958757)	Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as substrate incubated for 2 hrs prior to substrate addition measured after 5 hrs by fluorimetry
50004612	2	ChEMBL_806217 (CHEMBL1958758)	Inhibition of Influenza A virus (A/Teal/Hong Kong/W312/97(H6N1)) neuraminidase N1
50004612	3	ChEMBL_806218 (CHEMBL1958759)	Inhibition of Influenza A virus (A/duck/Alberta/35/1976(H1N1)) neuraminidase N1
50004612	4	ChEMBL_806215 (CHEMBL1958756)	Inhibition of Influenza A virus H7N1 N1 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as substrate incubated for 2 hrs prior to substrate addition measured after 5 hrs by fluorimetry
50004612	5	ChEMBL_806220 (CHEMBL1958761)	Inhibition of Influenza A virus (A/duck/Germany/1215/1973(H2N3)) neuraminidase N3
50004612	6	ChEMBL_806219 (CHEMBL1958760)	Inhibition of Influenza A virus (A/duck/Singapore/3/1997(H5N3)) neuraminidase N3
50004613	1	ChEMBL_806932 (CHEMBL1959233)	Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency virus 1 reverse transcriptase
50004613	2	ChEMBL_806933 (CHEMBL1959234)	Inhibition of RNA-dependent DNA polymerase activity of wild type Human immunodeficiency virus 1 reverse transcriptase
50004613	3	ChEMBL_806937 (CHEMBL1959238)	Inhibition of ribonuclease H activity of Human immunodeficiency virus 1 reverse transcriptase Lys103Asn mutant
50004613	4	ChEMBL_806931 (CHEMBL1959154)	Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as poly(dC)-[3H]poly(rG) as substrate
50004613	5	ChEMBL_806934 (CHEMBL1959235)	Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency virus 1 reverse transcriptase Lys103Asn mutant
50004613	6	ChEMBL_806936 (CHEMBL1959237)	Inhibition of ribonuclease H activity of wild type Human immunodeficiency virus 1 reverse transcriptase
50004614	1	ChEMBL_807142 (CHEMBL1959806)	Inhibition of HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay
50004615	1	ChEMBL_807162 (CHEMBL1959826)	Activation of PPAR in human HepG2 cells after 24 hrs by luciferase reporter gene assay
50004616	1	ChEMBL_805873 (CHEMBL1960054)	Inhibition of HIV1 reverse transcriptase assessed as incorporation of biotin-dUTP into poly(rA)-oligo(dT)
50004617	1	ChEMBL_809660 (CHEMBL2015879)	Inhibition of Human immunodeficiency virus 1 integrase 3'-processing activity expressed in Escherichia coli using 21-mer DNA and Mg2+ after 2 hrs by polyacrylamide gel electrophoresis
50004618	1	ChEMBL_811822 (CHEMBL2014553)	Inhibition of mushroom tyrosinase
50004619	1	ChEMBL_812370 (CHEMBL2014106)	Inhibition of mushroom tyrosinase
50004620	1	ChEMBL_810002 (CHEMBL2015111)	Inhibition of Pseudomonas aeruginosa LpxC
50004620	2	ChEMBL_809999 (CHEMBL2015108)	Inhibition of Escherichia coli LpxC
50004621	1	ChEMBL_811551 (CHEMBL2013956)	Inhibition of Sprague-Dawley albino rat ALR2 assessed as enzyme-mediated oxidation of NADPH using D,L-glyceraldehyde as substrate by spectrophotometric analysis
50004622	1	ChEMBL_813807 (CHEMBL2020115)	Binding affinity to amyloid beta aggregates in postmortem human Alzheimer's disease brain homogenates after 2 hrs by gamma counting
50004622	2	ChEMBL_813733 (CHEMBL2019991)	Displacement of [3H]Pittsburgh compound B from human Abeta1-40 after 3 hrs by liquid scintillation counting
50004622	3	ChEMBL_813734 (CHEMBL2019992)	Displacement of [3H]Pittsburgh compound B from human Abeta1-42 after 3 hrs by liquid scintillation counting
50004623	1	ChEMBL_813056 (CHEMBL2020568)	Activity at human CFTR delta F508 mutant expressed in forskolin-stimulated FRT cells assessed as increase in iodine influx measured as decrease in YFP fluorescence after 18 to 24 hrs at 37 degC in presence of genistein
50004624	1	ChEMBL_813063 (CHEMBL2020637)	Inhibition of beta-casein/TCF4 pathway expressed in HCT116 cells containing delta45S mutant after 24 hrs by luciferase reporter gene assay
50004625	1	ChEMBL_813281 (CHEMBL2019284)	Inhibition of wild type HIV-1 protease assessed as hydrolysis of fluorogenic substrate Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg after 10 mins by fluorescence assay
50004626	1	ChEMBL_813314 (CHEMBL2019435)	Inhibition of gamma-secretase in cell-free human HeLa membrane assessed as amyloid beta-42 production using APP as substrate
50004627	1	ChEMBL_813460 (CHEMBL2019356)	Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase P495L mutant
50004628	1	ChEMBL_814363 (CHEMBL2019572)	Inhibition of GST-tagged HIV1 integrase and C-terminal His6-tagged HIV1 integrase dimerization after 3 hrs by AlphaScreen-based dimerization assay
50004628	2	ChEMBL_814362 (CHEMBL2019571)	Inhibition of HIV1 integrase using oligodeoxynucleotide as substrate after 1 hr by ELISA
50004629	1	ChEMBL_814406 (CHEMBL2019730)	Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 42 production by electrochemiluminescent assay
50004629	2	ChEMBL_814407 (CHEMBL2019731)	Inhibition of gamma-secretase in human SH-SY5Y cells co-expressing APP C-terminal fragment SPA4CT assessed as inhibition of amyloid beta 40 production by electrochemiluminescent assay
50004630	1	ChEMBL_817161 (CHEMBL2026077)	Inhibition of HIV-1 reverse transcriptase after 1 hr by colorimetry
50004631	1	ChEMBL_816296 (CHEMBL2026972)	Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified wild-type MEK.
50004631	2	ChEMBL_816295 (CHEMBL2026971)	Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr
50004633	1	ChEMBL_815990 (CHEMBL2026544)	Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis
50004634	1	ChEMBL_816545 (CHEMBL2025125)	Inhibition of Pseudomonas aeruginosa LpxC expressed in Escherichia coli using UDP-3-O-N-acetylglucosamine substrate measured after 30 mins by mass spectrometry
50004635	1	ChEMBL_818206 (CHEMBL2034076)	Inhibition of full-length B-raf V600E mutant
50004635	2	ChEMBL_818207 (CHEMBL2034077)	Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells
50004636	1	ChEMBL_819441 (CHEMBL2033207)	Inhibition of porcine brain tubulin polymerization after 30 mins by spectrophotometry
50004637	1	ChEMBL_818074 (CHEMBL2033716)	Competitive inhibition of Escherichia coli thymidine phosphorylase incubated for 20 mins at room temperature followed by 5 mins incubation at 90 degC by Lineweaver-Burk plot analysis
50004638	1	ChEMBL_818090 (CHEMBL2033732)	Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 mins measured for 45 mins by fluorometry
50004639	1	ChEMBL_819004 (CHEMBL2034236)	Inhibition of wild type H1N1 swine influenza virus neuraminidase using 4-MU-NANA as substrate by fluorescence assay
50004639	2	ChEMBL_819005 (CHEMBL2034237)	Inhibition of oseltamivir-resistant H1N1 swine influenza virus neuraminidase H274Y mutant using 4-MU-NANA as substrate by fluorescence assay
50004639	3	ChEMBL_819003 (CHEMBL2034235)	Inhibition of Influenza A virus H9N2 neuraminidase using 4-MU-NANA as substrate by fluorescence assay
50004639	4	ChEMBL_819002 (CHEMBL2034234)	Inhibition of Influenza A virus H1N1 neuraminidase using 4-MU-NANA as substrate by fluorescence assay
50004640	1	ChEMBL_819628 (CHEMBL2033813)	Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spectrophotometry
50004640	2	ChEMBL_819627 (CHEMBL2033812)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by spectrophotometry
50004641	1	ChEMBL_820058 (CHEMBL2032831)	Inhibition of HIV1 reverse transcriptase RNase H activity
50004641	2	ChEMBL_820062 (CHEMBL2032835)	Inhibition of HIV1 reverse transcriptase associated RNA dependent polymerase activity
50004641	3	ChEMBL_820063 (CHEMBL2032836)	Inhibition of HIV1 integrase
50004642	1	ChEMBL_820420 (CHEMBL2037798)	Inhibition of HDAC in human HeLa cell nuclear extracts using Ac-Arg-Gly-Lys(Ac)-AMC substrate by fluorimetry
50004643	1	ChEMBL_821526 (CHEMBL2038194)	Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2 as substrate by spectrophotometry
50004643	2	ChEMBL_821528 (CHEMBL2038196)	Inhibition of HIV1 protease
50004644	1	ChEMBL_822365 (CHEMBL2038743)	Inhibition of HIV1 wildtype reverse transcriptase using poly(rA)/oligo(dT)15 as template by colometric streptavidin alkaline phosphate reporter assay
50004645	1	ChEMBL_824702 (CHEMBL2043443)	Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate after 1 hr by fluorescence assay
50004645	2	ChEMBL_824583 (CHEMBL2045565)	Inhibition of Influenza A virus (A/Sydney/5/97(H3N2)) recombinant neuraminidase using 2'-(4- methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate after 1 hr by fluorescence assay
50004646	1	ChEMBL_825941 (CHEMBL2044965)	Inhibition of Human immunodeficiency virus 1 3B protease
50004647	1	ChEMBL_826050 (CHEMBL2045349)	Displacement of [18F]-amyvid from amyloid-beta aggregates in alzheimer's disease patient brain homogenates after 1 hr
50004648	1	ChEMBL_823533 (CHEMBL2045976)	Inhibition of HIV1 reverse transcriptase using poly(ra)/oligo(dT)15 homopolymer template as substrate after 1 hr
50004649	1	ChEMBL_823617 (CHEMBL2044618)	Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by microbeta scintillation counting
50004650	1	ChEMBL_824207 (CHEMBL2044142)	Inhibition of HIV1 protease I47V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry
50004650	2	ChEMBL_824208 (CHEMBL2044143)	Inhibition of HIV1 protease V82A mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry
50004650	3	ChEMBL_824211 (CHEMBL2044146)	Inhibition of HIV1 protease
50004650	4	ChEMBL_824210 (CHEMBL2044145)	Inhibition of HIV1 protease L76V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry
50004650	5	ChEMBL_824209 (CHEMBL2044144)	Inhibition of HIV1 protease N88D mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry
50004650	6	ChEMBL_824206 (CHEMBL2044141)	Inhibition of HIV1 wild type protease using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate after 5 mins by spectrophotometry
50004651	1	ChEMBL_825811 (CHEMBL2044540)	Inhibition of p-glycoprotein expressed in human MCF-7/DX1 cells assessed as accumulation of calcein-AM by FACS analysis
50004652	1	ChEMBL_823871 (CHEMBL2045668)	Inhibition of LPS-induced p38 MAPK activation in BALB/c mouse peritoneal macrophages
50004653	1	ChEMBL_827165 (CHEMBL2050449)	Inhibition of mushroom tyrosinase activity using L-tyrosine as substrate after 30 mins by spectrophotometric analysis
50004653	2	ChEMBL_827169 (CHEMBL2050453)	Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 1.25 uM by Line-Weaver-Burk plot analysis
50004653	3	ChEMBL_827170 (CHEMBL2050454)	Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate at 20 uM by Line-Weaver-Burk plot analysis
50004654	1	ChEMBL_826740 (CHEMBL2051187)	Inhibition of Human immunodeficiency virus 1 protease using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate by fluorescence analysis
50004654	2	ChEMBL_826757 (CHEMBL2051290)	Inhibition of HIV1 3B protease activity in human H9 cells using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate after 40 mins by spectrophotometric analysis
50004655	1	ChEMBL_827266 (CHEMBL2050665)	Binding affinity to wild type HIV1 reverse transcriptase by pre-steady state kinetics study
50004655	2	ChEMBL_827269 (CHEMBL2050668)	Binding affinity to HIV1 reverse transcriptase K65R mutant by pre-steady state kinetics study
50004656	1	ChEMBL_828507 (CHEMBL2050034)	Displacement of [3H]AZD2184 from human amyloid beta(1 to 40)
50004657	1	ChEMBL_828512 (CHEMBL2050039)	Binding affinity to Mycobacterium tuberculosis CYP125A1 by UV-visible spectrophotometry
50004658	1	ChEMBL_827487 (CHEMBL2051344)	Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry
50004659	1	ChEMBL_827592 (CHEMBL2049671)	Inhibition of glucan synthase in Candida albicans BWP17 membrane
50004660	1	ChEMBL_828090 (CHEMBL2049829)	Binding affinity to Escherichia coli HPPK
50004660	2	ChEMBL_828091 (CHEMBL2049830)	Inhibition of Escherichia coli HPPK using [alpha-33P]ATP after 30 mins
50004660	3	ChEMBL_828092 (CHEMBL2049831)	Binding affinity to Escherichia coli HPPK at pH 8.3 by fluorometric titration
50004661	1	ChEMBL_828133 (CHEMBL2049963)	Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay
50004662	1	ChEMBL_828181 (CHEMBL2050113)	Displacement of [3H]prazosin from alpha1 adrenoceptor in rat cerebral cortex after 30 mins by beta scintillation counting
50004663	1	ChEMBL_828195 (CHEMBL2050127)	Inhibition of Bcl-XL
50004663	2	ChEMBL_828197 (CHEMBL2050129)	Inhibition of Bcl-w
50004663	3	ChEMBL_828196 (CHEMBL2050128)	Inhibition of Bcl2
50004664	1	ChEMBL_830320 (CHEMBL2060909)	Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1
50004664	2	ChEMBL_830319 (CHEMBL2060908)	Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4
50004664	3	ChEMBL_830321 (CHEMBL2060910)	Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1
50004665	1	ChEMBL_828775 (CHEMBL2060425)	Inhibition of Human immunodeficiency virus 1 reverse transcriptase
50004666	1	ChEMBL_829602 (CHEMBL2060945)	Inhibition of human C-terminal activation domain of HIF-1alpha/CH1 domain of GST-p300 interaction using F-786-826 by fluorescence polarization based assay
50004667	1	ChEMBL_830523 (CHEMBL2061335)	Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes
50004668	1	ChEMBL_830564 (CHEMBL2061419)	Inhibition of CDK2/cyclin E
50004669	1	ChEMBL_829354 (CHEMBL2060145)	Inhibition of Helicobacter pylori urease assessed as ammonia production preincubated for 3 hrs measured by indophenol method
50004670	1	ChEMBL_829368 (CHEMBL2060159)	Inhibition of amyloid beta (1 to 42) fibril formation after 1 hr by ThT spectrofluorometric analysis
50004671	1	ChEMBL_829023 (CHEMBL2060673)	Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant
50004672	1	ChEMBL_829666 (CHEMBL2061056)	Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis
50004673	1	ChEMBL_830585 (CHEMBL2061440)	Inhibition of CYP3A4/5 in human liver microsomes
50004674	1	ChEMBL_829292 (CHEMBL2060139)	Inhibition of HIF1 transcriptional activity in human LN229 cells expressing VEGF-HRE-V6R and coexpressing luciferase, lac Z gene incubated for 1 hr in normoxia condition followed by 24 hrs in hypoxia condition by reporter gene assay
50004675	1	ChEMBL_830851 (CHEMBL2065357)	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence analysis
50004675	2	ChEMBL_830849 (CHEMBL2065355)	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence analysis
50004675	3	ChEMBL_830850 (CHEMBL2065356)	Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence analysis
50004676	1	ChEMBL_831115 (CHEMBL2065861)	Binding affinity to human amyloid beta plaque
50004677	1	ChEMBL_831204 (CHEMBL2066092)	Inhibition of amyloid beta42 aggregation assessed as reduction in fluorescence after 4 days by thioflavin T-based fluorometry
50004677	2	ChEMBL_831209 (CHEMBL2066097)	Inhibition of amyloid beta42 aggregation assessed as reduction in fluorescence measured immediately post-compound addition by thioflavin T-based fluorometry
50004678	1	ChEMBL_831688 (CHEMBL2065051)	Inhibition of BRAF V600E mutant
50004679	1	ChEMBL_832436 (CHEMBL2067230)	Inhibition of HDAC in human HeLa cell extracts using Fluor de Lys as substrate by fluorescence assay
50004680	1	ChEMBL_834525 (CHEMBL2073574)	Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells stimulated forskolin and potentiator genistein with assessed as iodide influx incubated for 24 hrs
50004681	1	ChEMBL_835066 (CHEMBL2073610)	Inhibition of BRAF V600E mutant by ELISA
50004682	1	ChEMBL_835605 (CHEMBL2071716)	Inhibition of PDE3 by Biomol Green quantizyme assay system
50004683	1	ChEMBL_835813 (CHEMBL2071924)	Inhibition of AF546-tagged CMG2 R40C mutant binding to AF488-tagged PA E733C mutant incubated for 1 to 3 hrs prior to AF488-tagged PA E733C addition measured after 3 to 4 hrs by FRET assay
50004684	1	ChEMBL_838470 (CHEMBL2076041)	TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells
50004684	2	ChEMBL_836532 (CHEMBL2077169)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing CHO cells
50004685	1	ChEMBL_836771 (CHEMBL2075296)	TP_TRANSPORTER: inhibition of benzylpenicillin uptake in Oat3-expressing HEK293 cells
50004685	2	ChEMBL_836815 (CHEMBL2075340)	TP_TRANSPORTER: inhibition of benzylpenicillin uptake in OAT3-expressing HEK293 cells
50004686	1	ChEMBL_835935 (CHEMBL2077073)	TP_TRANSPORTER: inhibition of Phalloidin uptake (Phalloidin: 1 uM) in OATP-C-expressing HEK293 cells
50004687	1	ChEMBL_836183 (CHEMBL2075082)	TP_TRANSPORTER: inhibition of BMG uptake in membrane vesicles from Mrp2-expressing HEK cells
50004687	2	ChEMBL_839260 (CHEMBL2077931)	TP_TRANSPORTER: inhibition of BMG uptake in membrane vesicles from MRP2-expressing HEK cells
50004688	1	ChEMBL_836924 (CHEMBL2075764)	TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cells
50004688	2	ChEMBL_836923 (CHEMBL2075763)	TP_TRANSPORTER: inhibition of Triiodothyronine uptake in OATP4C1-expressing MDCK cells
50004689	1	ChEMBL_836216 (CHEMBL2076081)	TP_TRANSPORTER: transepithelial transport of Rhodamine 123 (basal to apical) in Caco-2 cells
50004690	1	ChEMBL_838489 (CHEMBL2076060)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells
50004690	2	ChEMBL_838486 (CHEMBL2076057)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells
50004691	1	ChEMBL_837003 (CHEMBL2075937)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing LLC-PK1 cells
50004691	2	ChEMBL_836020 (CHEMBL2077252)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT2-expressing LLC-PK1 cells
50004692	1	ChEMBL_838264 (CHEMBL2076212)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells
50004692	2	ChEMBL_838263 (CHEMBL2076211)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells
50004693	1	ChEMBL_837231 (CHEMBL2075206)	TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in P-gp-MRP-16-Protein A complex
50004694	1	ChEMBL_837048 (CHEMBL2076133)	TP_TRANSPORTER: inhibition of Verapamil stimulated ATP hydrolysis in membranes from MDR1-expressing Sf9 cells
50004695	1	ChEMBL_838001 (CHEMBL2075259)	TP_TRANSPORTER: inhibition of Cefixim uptake in Caco-2 cells
50004695	2	ChEMBL_838002 (CHEMBL2075260)	TP_TRANSPORTER: inhibition of Cefadroxil uptake in Caco-2 cells
50004696	1	ChEMBL_837479 (CHEMBL2075967)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50004697	1	ChEMBL_838310 (CHEMBL2076808)	TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes
50004698	1	ChEMBL_836351 (CHEMBL2076515)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes
50004698	2	ChEMBL_836354 (CHEMBL2076518)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.1 uM) in OCT1-expressing HEK293 cells
50004699	1	ChEMBL_837063 (CHEMBL2076148)	TP_TRANSPORTER: inhibition of Rhodamine 123 transport (basal to apical) (R123: 15 uM) in HCT-8 cells
50004700	1	ChEMBL_836149 (CHEMBL2077585)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from SR3A cells
50004701	1	ChEMBL_838723 (CHEMBL2078549)	TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HRPE cells
50004702	1	ChEMBL_835945 (CHEMBL2077083)	TP_TRANSPORTER: inhibition of TEA uptake in Octn1-HRPE cells
50004703	1	ChEMBL_835923 (CHEMBL2077061)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cells
50004703	2	ChEMBL_839168 (CHEMBL2077839)	TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in OCT3-expressing HRPE cells
50004703	3	ChEMBL_838730 (CHEMBL2078556)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells
50004704	1	ChEMBL_839174 (CHEMBL2077845)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50004705	1	ChEMBL_836172 (CHEMBL2075071)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50004706	1	ChEMBL_838268 (CHEMBL2076216)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50004707	1	ChEMBL_837054 (CHEMBL2076139)	TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells
50004708	1	ChEMBL_837123 (CHEMBL2076375)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
50004709	1	ChEMBL_837481 (CHEMBL2075969)	TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells
50004709	2	ChEMBL_836315 (CHEMBL2076479)	TP_TRANSPORTER: inhibition of PCG uptake in Oat3-expressing LLC-PK1 cells
50004709	3	ChEMBL_836772 (CHEMBL2075297)	TP_TRANSPORTER: inhibition of PCG uptake in OAT3-expressing LLC-PK1 cells
50004710	1	ChEMBL_836945 (CHEMBL2075785)	TP_TRANSPORTER: inhibition of SN-38 uptake in bile canalicular membrane vesicles from SD rat
50004710	2	ChEMBL_838314 (CHEMBL2076812)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50004710	3	ChEMBL_837935 (CHEMBL2075104)	TP_TRANSPORTER: inhibition of SN-38 uptake in bile canalicular membrane vesicles
50004710	4	ChEMBL_836171 (CHEMBL2075070)	TP_TRANSPORTER: inhibition of DNP-SG uptake in blie canalicular membrane vesicle from SD rat
50004711	1	ChEMBL_837275 (CHEMBL2075364)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cells
50004712	1	ChEMBL_836472 (CHEMBL2077002)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells
50004713	1	ChEMBL_836476 (CHEMBL2077006)	TP_TRANSPORTER: inhibition of GSSG uptake in membrane vesicle from MRP1-expressing HeLa cells
50004714	1	ChEMBL_837124 (CHEMBL2076525)	TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells
50004715	1	ChEMBL_837936 (CHEMBL2075105)	TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cells
50004715	2	ChEMBL_836805 (CHEMBL2075330)	TP_TRANSPORTER: inhibition of PAH uptake (PAH: 0.1uM) in membrane vesicles from MRP2-expressing HEK cells
50004716	1	ChEMBL_836645 (CHEMBL2077487)	TP_TRANSPORTER: inhibition of E217betaG uptake in OATP-C-expressing HEK293 cells
50004717	1	ChEMBL_838080 (CHEMBL2075454)	TP_TRANSPORTER: inhibition of Taurochenodeoxycholate uptake(CsA 30uM, 30 % of control) in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus
50004717	2	ChEMBL_836611 (CHEMBL2077352)	TP_TRANSPORTER: competitive inhibition of Taurocholate uptake in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus
50004717	3	ChEMBL_838079 (CHEMBL2075453)	TP_TRANSPORTER: inhibition of Taurocholate uptake(Glibenclamide 30uM, 50 % of control) in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus
50004717	4	ChEMBL_838078 (CHEMBL2075452)	TP_TRANSPORTER: inhibition of Taurocholate uptake(Rifampicin SV 30uM, 50 % of control) in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus
50004718	1	ChEMBL_839059 (CHEMBL2078640)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing Sf9 cells
50004718	2	ChEMBL_839060 (CHEMBL2078641)	TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-expressing HEK-293 cells
50004719	1	ChEMBL_835931 (CHEMBL2077069)	TP_TRANSPORTER: inhibition of L-Lactate uptake (L-Lactate:30mM) in Xenopus laevis oocytes
50004720	1	ChEMBL_838055 (CHEMBL2075429)	TP_TRANSPORTER: binding in plasma membranes from CEM/VLB1.0 cells
50004721	1	ChEMBL_838522 (CHEMBL2078150)	TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells
50004722	1	ChEMBL_837869 (CHEMBL2077456)	TP_TRANSPORTER: inhibition of E217betaG uptake in OATP-C-expressing HEK293 cells
50004723	1	ChEMBL_836288 (CHEMBL2076301)	TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes
50004724	1	ChEMBL_839273 (CHEMBL2077944)	TP_TRANSPORTER: inhibition of Daunorubicin uptake (Daunorubicin: 0.6 uM) in membrane vesicles from GLC4/ADR cells
50004725	1	ChEMBL_838283 (CHEMBL2076231)	TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cells
50004726	1	ChEMBL_839014 (CHEMBL2078531)	TP_TRANSPORTER: inhibition of PMEA efflux (PMEA: 1 uM) in MRP5-expressing MDCKII cells
50004727	1	ChEMBL_836159 (CHEMBL2075058)	TP_TRANSPORTER: inhibition of LTC4 uptake in canalicular membrane vesicles of rat liver
50004727	2	ChEMBL_836160 (CHEMBL2075059)	TP_TRANSPORTER: inhibition of LTC4 uptake in Mrp2-expressing HEK cells
50004727	3	ChEMBL_838867 (CHEMBL2078221)	TP_TRANSPORTER: inhibition of Taurocholate uptake in canalicular membrane vesicles of rat liver
50004727	4	ChEMBL_836167 (CHEMBL2075066)	TP_TRANSPORTER: inhibition of E217betaG uptake in canalicular membrane vesicles of rat liver
50004728	1	ChEMBL_837472 (CHEMBL2075960)	TP_TRANSPORTER: inhibition of Taurocholate uptake in membrane vesicle from Bsep-expressing Sf9-cell
50004729	1	ChEMBL_837487 (CHEMBL2075975)	TP_TRANSPORTER: inhibition of E217betaG uptake in Xenopus laevis oocytes
50004729	2	ChEMBL_837607 (CHEMBL2076407)	TP_TRANSPORTER: inhibition of E217betaG uptake in Xenopus laevis oocytes
50004730	1	ChEMBL_838983 (CHEMBL2078500)	TP_TRANSPORTER: inhibition of Digoxin uptake in Xenopus laevis oocytes
50004731	1	ChEMBL_838750 (CHEMBL2078576)	TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cells
50004732	1	ChEMBL_836463 (CHEMBL2076903)	TP_TRANSPORTER: inhibition of Urate uptake (Urate: 300 uM) in OAT1-expressing S2 cells
50004733	1	ChEMBL_836180 (CHEMBL2075079)	TP_TRANSPORTER: inhibition of DNP-SG uptake (DNP-SG: 0.05 uM) in membrane vesicles from Mrp2-expressing Sf9 cells
50004733	2	ChEMBL_838739 (CHEMBL2078565)	TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.055 uM) in membrane vesicles from Mrp2-expressing Sf9 cells
50004734	1	ChEMBL_836798 (CHEMBL2075323)	TP_TRANSPORTER: inhibition of PGE1 uptake (PGE1: 0.0004 uM) in PGT-expressing HeLa cells
50004735	1	ChEMBL_836146 (CHEMBL2077582)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 25000 uM) in PEPT1-expressing CHO cells
50004736	1	ChEMBL_836175 (CHEMBL2075074)	TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat
50004737	1	ChEMBL_837108 (CHEMBL2076360)	TP_TRANSPORTER: inhibition of Enalapril uptake in Oatp1-expressing HeLa cells
50004738	1	ChEMBL_835998 (CHEMBL2077230)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells
50004738	2	ChEMBL_836990 (CHEMBL2075924)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells
50004740	1	ChEMBL_836446 (CHEMBL2076886)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells
50004740	2	ChEMBL_836467 (CHEMBL2076907)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells
50004741	1	ChEMBL_838474 (CHEMBL2076045)	TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cells
50004742	1	ChEMBL_838508 (CHEMBL2078136)	TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells
50004743	1	ChEMBL_835960 (CHEMBL2077098)	TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT1-expressing S2 cells
50004743	2	ChEMBL_835953 (CHEMBL2077091)	TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells
50004744	1	ChEMBL_838483 (CHEMBL2076054)	TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells
50004744	2	ChEMBL_838502 (CHEMBL2078130)	TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells
50004745	1	ChEMBL_838277 (CHEMBL2076225)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells
50004745	2	ChEMBL_836889 (CHEMBL2075628)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells
50004745	3	ChEMBL_838276 (CHEMBL2076224)	TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells
50004746	1	ChEMBL_835970 (CHEMBL2077108)	TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)
50004746	2	ChEMBL_835968 (CHEMBL2077106)	TP_TRANSPORTER: inhibition of VP-16 transport in HL60/ADR cells (overexpression of MRP1)
50004746	3	ChEMBL_835969 (CHEMBL2077107)	TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells
50004746	4	ChEMBL_839167 (CHEMBL2077838)	TP_TRANSPORTER: inhibition of DNR transport in HL60/ADR cells (overexpression of MRP1)
50004746	5	ChEMBL_835971 (CHEMBL2077109)	TP_TRANSPORTER: inhibition of DNR transport in HL60/MRP cells
50004746	6	ChEMBL_835967 (CHEMBL2077105)	TP_TRANSPORTER: inhibition of VP-16 transport in HL60/MRP cells
50004747	1	ChEMBL_836457 (CHEMBL2076897)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells
50004748	1	ChEMBL_838285 (CHEMBL2076233)	TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells
50004749	1	ChEMBL_836293 (CHEMBL2076306)	TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cells
50004750	1	ChEMBL_836637 (CHEMBL2077479)	TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes
50004751	1	ChEMBL_837976 (CHEMBL2075145)	TP_TRANSPORTER: inhibition of Gly-Sar uptake, 96% trans conformation in Caco-2 cells
50004752	1	ChEMBL_837981 (CHEMBL2075150)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells
50004752	2	ChEMBL_835999 (CHEMBL2077231)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells
50004752	3	ChEMBL_835997 (CHEMBL2077229)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cells
50004752	4	ChEMBL_837979 (CHEMBL2075148)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells
50004753	1	ChEMBL_837978 (CHEMBL2075147)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cells
50004753	2	ChEMBL_836693 (CHEMBL2077648)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cells
50004753	3	ChEMBL_837980 (CHEMBL2075149)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells
50004753	4	ChEMBL_835996 (CHEMBL2077228)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cells
50004753	5	ChEMBL_837988 (CHEMBL2075246)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in Caco-2 cells
50004753	6	ChEMBL_836935 (CHEMBL2075775)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in SKPT cells
50004754	1	ChEMBL_836464 (CHEMBL2076904)	TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cells
50004754	2	ChEMBL_837114 (CHEMBL2076366)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 25 uM) in PEPT1-expressing HeLa cells
50004754	3	ChEMBL_836972 (CHEMBL2075812)	TP_TRANSPORTER: inhibition of Chephalexin uptake in SKPT cells
50004754	4	ChEMBL_839216 (CHEMBL2077887)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 5 uM) in Caco-2 cells
50004754	5	ChEMBL_836973 (CHEMBL2075813)	TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 50 uM) in PEPT2-expressing HeLa cells
50004754	6	ChEMBL_836690 (CHEMBL2077645)	TP_TRANSPORTER: inhibition of Cephalexin uptake in SKPT cells
50004755	1	ChEMBL_836620 (CHEMBL2077361)	TP_TRANSPORTER: inhibition of Carnitine uptake (Carnitine: 0.02 uM) in OCTN2-expressing HeLa cells
50004756	1	ChEMBL_838789 (CHEMBL2077696)	TP_TRANSPORTER: inhibition of E1S uptake in Xenopus laevis oocytes
50004756	2	ChEMBL_837523 (CHEMBL2076011)	TP_TRANSPORTER: inhibition of BSP uptake in Xenopus laevis oocytes
50004756	3	ChEMBL_837884 (CHEMBL2077590)	TP_TRANSPORTER: inhibition of E1S uptake in Xenopus laevis oocytes
50004757	1	ChEMBL_840681 (CHEMBL2090423)	Inhibition of Mcl1-BAK interaction
50004758	1	ChEMBL_839651 (CHEMBL2090765)	Inhibition of VER-stimulated human His10-tagged P-gp ATPase activity expressed in BHK cells after 15 mins
50004759	1	ChEMBL_841819 (CHEMBL2092483)	Inhibition of HIV-1 integrase by colorimetry
50004760	1	ChEMBL_842481 (CHEMBL2092206)	Inhibition of recombinant HIV-1 RT assessed as inhibition of biotin-dUTP incorporation by colorimetric analysis
50004761	1	ChEMBL_849223 (CHEMBL2148592)	Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assay
50004762	1	ChEMBL_850034 (CHEMBL2148894)	Displacement of [3H]epibatidine from chimeric human alpha7-5-HT3A receptor expressed in HEK293 cells after 2 hrs by scintillation counter analysis
50004763	1	ChEMBL_850302 (CHEMBL2150722)	Antagonist activity at Pseudomonas aeruginosa LasB using Abz-Ala-Gly-Leu-Ala-p-Nitro-Benzyl-Amide as substrate incubated for 30 mins prior to substrate addition by FRET assay
50004764	1	ChEMBL_850468 (CHEMBL2150655)	Activation of KCNQ2/Q3
50004765	1	ChEMBL_848383 (CHEMBL2149838)	Inhibition of mushroom tyrosinase using as L-tyrosine substrate after 10 mins by spectrophotometric analysis
50004765	2	ChEMBL_848384 (CHEMBL2149839)	Inhibition of mushroom tyrosinase using as L-DOPA substrate after 2 mins by spectrophotometric analysis
50004765	3	ChEMBL_848396 (CHEMBL2149851)	Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-enzyme-substrate complex using as L-dopamine substrate by spectrophotometric analysis
50004765	4	ChEMBL_848502 (CHEMBL2150279)	Inhibition of mushroom tyrosinase diphenolase activity
50004765	5	ChEMBL_848393 (CHEMBL2149848)	Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-free enzyme using as L-tyrosine substrate by spectrophotometric analysis
50004765	6	ChEMBL_848394 (CHEMBL2149849)	Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-enzyme-substrate complex using as L-tyrosine substrate by spectrophotometric analysis
50004765	7	ChEMBL_848397 (CHEMBL2149852)	Inhibition of mushroom tyrosinase
50004765	8	ChEMBL_848395 (CHEMBL2149850)	Inhibition of mushroom tyrosinase assessed as inhibition constant for compound-free enzyme using as L-dopamine substrate by spectrophotometric analysis
50004766	1	ChEMBL_852367 (CHEMBL2155794)	Inhibition of porcine brain tubulin assembly measured every 1 min for 60 mins by turbidimetric analysis
50004767	1	ChEMBL_851302 (CHEMBL2155888)	Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay
50004767	2	ChEMBL_851301 (CHEMBL2155887)	Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells after 16 hrs by HRE3-TK-luciferase reporter gene assay
50004768	1	ChEMBL_851330 (CHEMBL2156037)	Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as ERK phosphorylation
50004768	2	ChEMBL_851329 (CHEMBL2156036)	Inhibition of full length B-Raf V600E mutant
50004769	1	ChEMBL_854340 (CHEMBL2154560)	Inhibition of wild type HIV1 reverse transcriptase activity using poly (rA)/oligo (dT)15 homopolymer template after 1 hr by ELISA
50004770	1	ChEMBL_853430 (CHEMBL2155288)	Induction of porcine brain tubulin polymerization after 20 mins by Bradford assay
50004772	1	ChEMBL_853623 (CHEMBL2154160)	Inhibition of gamma-secretase-mediated notch processing in human SUP-T1 cells after 1 hr by luminescent assay
50004773	1	ChEMBL_853659 (CHEMBL2154196)	Displacement of [3H]-lysergic acid diethylamine from human recombinant 5-HT6 receptor
50004774	1	ChEMBL_853662 (CHEMBL2154199)	Inhibition of HDAC6
50004775	1	ChEMBL_855790 (CHEMBL2161137)	Binding affinity to amyloid beta (1-42) aggregates in human Alzheimer's disease brain sections
50004776	1	ChEMBL_856669 (CHEMBL2162206)	Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay
50004776	2	ChEMBL_856670 (CHEMBL2162207)	Inhibition of HIV-1 reverse transcriptase using 25 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay
50004776	3	ChEMBL_856671 (CHEMBL2162208)	Inhibition of HIV-1 reverse transcriptase using 0.05 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay
50004776	4	ChEMBL_856828 (CHEMBL2163093)	Inhibition of HIV-1 reverse transcriptase using 0.5 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay
50004776	5	ChEMBL_856829 (CHEMBL2163094)	Inhibition of HIV-1 reverse transcriptase using 25 ug/mL of Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay in presence of 340 uM base pair of calf thymus DNA
50004777	1	ChEMBL_855892 (CHEMBL2161655)	Inhibition of pig tubulin polymerization by spectrophotometry
50004778	1	ChEMBL_854558 (CHEMBL2161053)	Inhibition of recombinant human FTase using dansyl-GCVLS as substrate after 15 mins by fluorimetric analysis
50004778	2	ChEMBL_854556 (CHEMBL2161051)	Inhibition of human FTase
50004779	1	ChEMBL_858806 (CHEMBL2167500)	Binding affinity to wild type HIV1 protease
50004779	2	ChEMBL_858808 (CHEMBL2167502)	Inhibition of HIV1 protease
50004780	1	ChEMBL_858662 (CHEMBL2166544)	Inhibition of wild type HIV1 protease by FRET assay
50004780	2	ChEMBL_858660 (CHEMBL2166542)	Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assay
50004780	3	ChEMBL_858488 (CHEMBL2169287)	Inhibition of HIV1 protease I50V, A71V mutant by FRET assay
50004780	4	ChEMBL_858661 (CHEMBL2166543)	Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assay
50004781	1	ChEMBL_858890 (CHEMBL2168110)	Inhibition of wild type HIV1 reverse transcriptase RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate
50004781	2	ChEMBL_858889 (CHEMBL2168109)	Inhibition of HIV1 reverse transcriptase K103N mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate
50004781	3	ChEMBL_858888 (CHEMBL2167934)	Inhibition of HIV1 reverse transcriptase L100I mutant RNA-dependent DNA polymerase activity using poly(rA)/oligo(dT)10:1 and [3H]-dTTP substrate
50004782	1	ChEMBL_858545 (CHEMBL2169549)	Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate by Zhang-Poorman kinetic analysis
50004783	1	ChEMBL_860209 (CHEMBL2168949)	Uncompetitive inhibition of Photinus pyralis luciferase using 50 uM D-luciferin as substrate after 20 mins by nonlinear regression analysis in presence of 25 to 500 uM ATP
50004783	2	ChEMBL_860210 (CHEMBL2168950)	Competitive inhibition of Photinus pyralis luciferase using 3.125 to 200 uM D-luciferin as substrate after 20 mins by Michaelis-Menten plot in presence of 250 uM ATP
50004783	3	ChEMBL_860213 (CHEMBL2168953)	Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay
50004783	4	ChEMBL_860211 (CHEMBL2168951)	Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by Michaelis-Menten plot
50004784	1	ChEMBL_858067 (CHEMBL2166979)	Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 production after 2 hrs by ELISA
50004784	2	ChEMBL_858066 (CHEMBL2166978)	Inhibition of gamma-secretase in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta40 production after 19 hrs
50004785	1	ChEMBL_858568 (CHEMBL2166013)	Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 hr by FRET assay
50004786	1	ChEMBL_861270 (CHEMBL2173576)	Displacement of [3H]flumazenil from human recombinant GABA-A alpha5beta3gamma2L receptor in HEK293 cells
50004786	2	ChEMBL_861269 (CHEMBL2173575)	Displacement of [3H]flumazenil from human recombinant GABA-A alpha2beta2gamma2L receptor expressed in HEK293 cells
50004787	1	ChEMBL_862685 (CHEMBL2174233)	Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assay
50004787	2	ChEMBL_862684 (CHEMBL2174232)	Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assay
50004787	3	ChEMBL_862466 (CHEMBL2173561)	Inhibition of human HSP90 in HCT116 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot method
50004787	4	ChEMBL_862450 (CHEMBL2173545)	Inhibition of human HSP90 in DU145 cells assessed as degradation of Akt incubated for 24 hrs by Western blot method
50004787	5	ChEMBL_862464 (CHEMBL2173559)	Inhibition of human HSP90 in HCT116 cells assessed as degradation of Akt incubated for 24 hrs by Western blot method
50004787	6	ChEMBL_862453 (CHEMBL2173548)	Inhibition of human HSP90 in DU145 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot method
50004787	7	ChEMBL_862455 (CHEMBL2173550)	Inhibition of human HSP90 in NCI-N87 cells assessed as degradation of Her2 incubated for 24 hrs by Western blot method
50004788	1	ChEMBL_863635 (CHEMBL2175367)	Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration assay
50004789	1	ChEMBL_875926 (CHEMBL2188039)	Inhibition of aggregation of human DHFR-fused amyloid beta (1 to 42) expressed in yeast harboring erg6delta assessed as increase in yeast viability measured up to 20 hrs in presence of MTX
50004790	1	ChEMBL_875730 (CHEMBL2185782)	Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 residues) interaction after 30 mins by AlphaScreen assay
50004791	1	ChEMBL_875264 (CHEMBL2187146)	Inhibition of HIV1 protease by spectrophotometric assay
50004792	1	ChEMBL_876865 (CHEMBL2184459)	Binding affinity to p53 Y220C mutant by NMR spectroscopy
50004793	1	ChEMBL_878295 (CHEMBL2185500)	Inhibition of HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate
50004793	2	ChEMBL_878296 (CHEMBL2185924)	Inhibition of HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate
50004794	1	ChEMBL_877418 (CHEMBL2182848)	Inhibition of Sprague-Dawley albino rat lens ALR2 by spectrophotometry
50004795	1	ChEMBL_878320 (CHEMBL2185948)	Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot
50004795	2	ChEMBL_878321 (CHEMBL2185949)	Mixed type inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide assessed as inhibition constant for enzyme-inhibitor complex by Lineweaver-Burk plot
50004795	3	ChEMBL_878322 (CHEMBL2185950)	Noncompetitive inhibition of Trypanosoma brucei TR using varying levels of trypanothione disulfide by Lineweaver-Burk plot
50004796	1	ChEMBL_878469 (CHEMBL2187383)	Inhibition of anti-CXCR4 mAbs clone 1D9 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACS
50004796	2	ChEMBL_878471 (CHEMBL2187385)	Inhibition of anti-CXCR4 mAbs clone 173 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACS
50004796	3	ChEMBL_878478 (CHEMBL2187763)	Inhibition of CXCL-12'AF647 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACS
50004796	4	ChEMBL_878470 (CHEMBL2187384)	Inhibition of anti-CXCR4 mAbs clone 12G5 binding to CXCR4 in human SUPT1 cells incubated for 15 mins by FACS
50004796	5	ChEMBL_878472 (CHEMBL2187757)	Antagonist activity against CXCR5 expressed in U87.CD.CXCR5 cells assessed as inhibition of CCL3L1-induced calcium signaling incubated for 10 mins by FLIPR
50004796	6	ChEMBL_878477 (CHEMBL2187762)	Antagonist activity against CXCR4 expressed in U87.CD.CXCR4 cells assessed as inhibition of CXCL12-induced calcium signaling incubated for 10 mins by FLIPR
50004797	1	ChEMBL_878928 (CHEMBL2185079)	Binding affinity to pig brain tubulin
50004797	2	ChEMBL_878927 (CHEMBL2185078)	Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay
50004798	1	ChEMBL_872382 (CHEMBL2188244)	Modulation of gamma-secretase expressed in HEK293 cells co-expressing APPsw-lon assessed as reduction of amyloid-beta-42 level by sandwich immunoassay
50004799	1	ChEMBL_879538 (CHEMBL2208947)	Binding affinity to human amyloid beta plaque
50004799	2	ChEMBL_879537 (CHEMBL2208946)	Displacement of [3H]DMAB from amyloid beta plaque in cortex homogenate isolated from Alzheimer disease patient after 90 mins by scintillation counting
50004800	1	ChEMBL_884651 (CHEMBL2214667)	Inhibition of Bacillus anthracis edema toxin-mediated cAMP production in mouse RAW264.7 cells after 4 hrs by ELISA
50004801	1	ChEMBL_882171 (CHEMBL2215003)	Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Dixon plot analysis
50004801	2	ChEMBL_882170 (CHEMBL2215002)	Competitive inhibition of P-gp overexpressed in human MDA435/LCC6MDR cells assessed as accumulation of doxorubicin by Lineweaver-Burk plot analysis
50004802	1	ChEMBL_883910 (CHEMBL2213649)	Inhibition of Serine/threonine-protein kinase mTOR complex 1-mediated HIF1alpha RNA translation in human MCF7 cells pretreated for 1 hr prior to metabolic labeling by SDS-PAGE analysis
50004803	1	ChEMBL_882744 (CHEMBL2214529)	Inhibition of mushroom tyrosinase using L-DOPA as substrate after 10 mins
50004804	1	ChEMBL_883025 (CHEMBL2210269)	Inhibition of Hsp90 in human NCI-N87 cells assessed as Her2 degradation after 24 hrs by Western blot analysis
50004804	2	ChEMBL_883046 (CHEMBL2210690)	Displacement of biotinylated geldanamycin from human His-tagged Hsp90 by TR-FRET assay
50004804	3	ChEMBL_883045 (CHEMBL2210689)	Inhibition of Hsp90 in human A549 cells assessed as Raf1 degradation after 24 hrs by Western blot analysis
50004805	1	ChEMBL_884357 (CHEMBL2210795)	Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrate after 10 mins by fluorometric assay
50004806	1	ChEMBL_882099 (CHEMBL2214487)	Inhibition of HIV1 reverse transcriptase incubated for 1 hr by colorimetric assay
50004807	1	ChEMBL_887090 (CHEMBL2214315)	Inhibition of Apaf-1-caspase 9-cytochrome c-caspase 3 complex in human HEK293 cytosolic extract using afc-DEVD as substrate preincubated for 30 mins before substrate addition measured after 30 mins by fluorescence assay
50004808	1	ChEMBL_884817 (CHEMBL2216571)	Inhibition of Staphylococcus aureus DNA gyrase
50004809	1	ChEMBL_884973 (CHEMBL2210839)	Binding affinity to chick avidin using fluorescence spectral analysis method based double reciprocal plot analysis
50004809	2	ChEMBL_884974 (CHEMBL2210840)	Binding affinity to Streptomyces avidinii streptavidin using fluorescence spectral analysis method based double reciprocal plot analysis
50004810	1	ChEMBL_884996 (CHEMBL2211256)	Inhibition of HIV1 reverse transcriptase assessed as biotin-dUTP incorporation into enzyme using poly(rC)-oligo(dG) as template primer by colorimetric analysis
50004812	1	ChEMBL_885183 (CHEMBL2213717)	Inhibition of HCV genotype 1b BK NS3/4A protease D168V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay
50004812	2	ChEMBL_885185 (CHEMBL2213719)	Inhibition of HCV genotype 1b BK NS3/4A protease A156V mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay
50004812	3	ChEMBL_885186 (CHEMBL2213720)	Inhibition of HCV genotype 1b BK NS3/4A protease A156T mutant expressed in Escherichia coli incubated for 30 mins by time-resolved fluorescence assay
50004813	1	ChEMBL_886109 (CHEMBL2210031)	Inhibition of HIV1 recombinant reverse transcriptase assessed as incorporation of biotin-dUTP into poly(rC)-oligo(dG) by colorimetric analysis
50004814	1	ChEMBL_884701 (CHEMBL2215149)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain homogenate by scintillation counting
50004814	2	ChEMBL_884702 (CHEMBL2215150)	Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain homogenate
50004814	3	ChEMBL_884717 (CHEMBL2215598)	Displacement of [3H]cytisine from alpha4beta2 nAChR in Sprague-Dawley rat brain homogenate after 75 mins by scintillation counting
50004815	1	ChEMBL_884723 (CHEMBL2215604)	Inhibition of B-Raf V600E mutant -mediated MEK phosphorylation
50004816	1	ChEMBL_885250 (CHEMBL2214223)	Inhibition of HIV1 capsid protein binding to fluorescein labeled 3-(5-(3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl)-1-((6-oxo-1,6-dihydropyridin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-4-hydroxybenzoic acid after 15 mins by fluorescence polarization assay
50004816	2	ChEMBL_885252 (CHEMBL2214225)	Inhibition of HIV1 capsid protein assembly using 5'-fluorescein-labeled (TG)25 oligonucleotide after 2 hrs by fluorometry-based capsid disassembly assay
50004817	1	ChEMBL_886650 (CHEMBL2216235)	Inhibition of PLK1
50004817	2	ChEMBL_886651 (CHEMBL2216236)	Inhibition of CDK2
50004817	3	ChEMBL_886652 (CHEMBL2216237)	Inhibition of LCK
50004818	1	ChEMBL_887020 (CHEMBL2213360)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis
50004819	1	ChEMBL_885326 (CHEMBL2215189)	Inhibition of HIV1 recombinant integrase strand transfer activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic analysis
50004819	2	ChEMBL_885327 (CHEMBL2215190)	Inhibition of HIV1 recombinant integrase 3' processing activity using [32P]-labeled oligonucleotide a substrate after 30 mins by electrophoretic analysis
50004820	1	ChEMBL_892273 (CHEMBL3048430)	Binding affinity to Penicillium digitatum CYP51 expressed in Escherichia coli BL21 (DE3) cells by binding spectrum method
50004821	1	ChEMBL_892592 (CHEMBL3047497)	Inhibition of esterase in male Ostrinia nubilalis (European corn borer) antenna
50004822	1	ChEMBL_893548 (CHEMBL3049525)	Inhibition of Homo sapiens (human) recombinant protoporphyrinogen oxidase expressed in Escherichia coli JM109 assessed as oxidation of protoporphyrinogen IX substrate by UV-visible spectrophotometry
50004823	1	ChEMBL_894639 (CHEMBL3049709)	Inhibition of PDHc in Pisum sativum Zhongwan-2 (pea) shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay
50004823	2	ChEMBL_894640 (CHEMBL3049710)	Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria assessed as decrease in rate of NADH formation using sodium pyruvate as substrate preincubated for 25 min before substrate addition measured after 1 min by spectrophotometric assay
50004824	1	ChEMBL_892185 (CHEMBL3051431)	Inhibition of Agaricus bisporus (mushroom) tyrosinase
50004824	2	ChEMBL_892184 (CHEMBL3051430)	Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol
50004824	3	ChEMBL_892182 (CHEMBL3051428)	Inhibition of Bos taurus (bovine) CAT in liver
50004824	4	ChEMBL_892181 (CHEMBL3051427)	Inhibition of Homo sapiens (human) aldehyde oxidase
50004825	1	ChEMBL_892507 (CHEMBL3051658)	Inhibition of Agaricus bisporus (mushroom) tyrosinase using L-DOPA as substrate by secondary plot analysis
50004825	2	ChEMBL_892512 (CHEMBL3051663)	Inhibition of Agaricus bisporus (mushroom) tyrosinase-catalyzed oxidation of L-DOPA substrate by spectrophotometric analysis
50004826	1	ChEMBL_893671 (CHEMBL3051049)	Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase colorimetric assay
50004826	2	ChEMBL_893670 (CHEMBL3051048)	Inhibition of Arabidopsis thaliana acetohydroxyacid synthase W574L mutant colorimetric assay
50004827	1	ChEMBL_891959 (CHEMBL3049465)	Inhibition of C-terminal His6-tagged Phytophthora sojae race 1 recombinant ThrRS expressed in Escherichia coli BL21 (Codonplus DE3) assessed as reduction in initial velocity at the step of threonine activation preincubated for 10 min with 4 uM enzyme before threonine addition measured after 30 min by HPLC analysis
50004828	1	ChEMBL_899483 (CHEMBL3047383)	Inhibition of Human immunodeficiency virus 1 protease using Lys-Ala-Arg-Val-Leu-Phe(NO2)-Glu-Ala-Met as substrate
50004829	1	ChEMBL_899485 (CHEMBL3047385)	Inhibition of Glycine max (soybean) lipoxygenase using sodium linoleate as substrate
50004830	1	ChEMBL_899688 (CHEMBL3053160)	Inhibition of COX-1 (unknown origin)
50004831	1	ChEMBL_899711 (CHEMBL3060854)	Competitive inhibition of DPP4 (unknown origin) using H-Gly-Pro-pNA tosylate as substrate after 60 min by Michaelis-Menten plot analysis
50004832	1	ChEMBL_899713 (CHEMBL3060856)	Inhibition of Homo sapiens (human) cyclophilin A PPIase activity expressed in Escherichia coli BL21(DE3) using Suc-AAPF-pNA as substrate measured after 6 secs for 20 secs by spectrophotometric analysis
50004832	2	ChEMBL_899714 (CHEMBL3060857)	Binding affinity to Homo sapiens (human) cyclophilin A expressed in Escherichia coli BL21(DE3) by fluorescence titration assay
50004833	1	ChEMBL_899894 (CHEMBL3062604)	Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia coli DH5alpha using L-dihydroorotate as substrate by DCIP-based spectrophotometric analysis
50004834	1	ChEMBL_899927 (CHEMBL3061700)	Inhibition of GSK3beta (unknown origin) using GS-l peptide as substrate and [gamma-33P]-ATP after 10 min
50004834	2	ChEMBL_899926 (CHEMBL3061699)	Inhibition of GSK3alpha (unknown origin) using GS-l peptide as substrate and [gamma-33P]-ATP after 10 min
50004834	3	ChEMBL_899929 (CHEMBL3061702)	Inhibition of CDK5/p25 (unknown origin) using histone H1 as substrate and [gamma-33P]-ATP after 10 min
50004834	4	ChEMBL_899928 (CHEMBL3061701)	Inhibition of DYRK1A (unknown origin) using [gamma-33P]-ATP after 10 min
50004834	5	ChEMBL_899933 (CHEMBL3061706)	Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate and [gamma-33P]-ATP after 10 min
50004834	6	ChEMBL_899931 (CHEMBL3061704)	Inhibition of CDK1/cyclin B (unknown origin)
50004835	1	ChEMBL_900328 (CHEMBL3068456)	Displacement of [3H]-QNB from muscarnic receptor in Rattus norvegicus (rat) cerebral cortex after 90 min by scintillation counting analysis
50004836	1	ChEMBL_900572 (CHEMBL3062587)	Inhibition of PTP1B (unknown origin)
50004837	1	ChEMBL_900593 (CHEMBL3062621)	Inhibition of Homo sapiens (human) aromatase assessed as 3H2O formation using [1beta,2beta-3H]testosterone as substrate by liquid scintillation counting analysis
50004838	1	ChEMBL_900795 (CHEMBL3049408)	Inhibition of acetylcholinesterase (unknown origin)
50004839	1	ChEMBL_900814 (CHEMBL3049687)	Inhibition of rat intestinal alpha-glucosidase using p-nitrophenyl- alpha-D-glucopyranoside as substrate preincubated for 5 min before addition of substrate measured after 10 min
50004840	1	ChEMBL_900820 (CHEMBL3049693)	Binding affinity to adrenergic alpha1A receptor (unknown origin)
50004841	1	ChEMBL_900822 (CHEMBL3049695)	Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assay
50004842	1	ChEMBL_901250 (CHEMBL3063097)	Inhibition of Hepatitis C virus NS5B RNA-dependent RNA polymerase
50004843	1	ChEMBL_901251 (CHEMBL3063098)	Inhibition of PKCbeta2 (unknown origin)
50004844	1	ChEMBL_902156 (CHEMBL3061554)	Antagonist activity at Homo sapiens (human) CCR2 receptor
50004845	1	ChEMBL_902174 (CHEMBL3061572)	Antagonist activity at CCR2 (unknown origin)
50004846	1	ChEMBL_902583 (CHEMBL3047075)	Inhibition of L-type calcium channel in Cavia porcellus (guinea pig) ileal SMC assessed as inhibition of 80 mM KCl-induced current
50004847	1	ChEMBL_902584 (CHEMBL3047076)	Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate after 15 min by Ellman's method
50004849	1	ChEMBL_902593 (CHEMBL3047415)	Inhibition of Mycobacterium tuberculosis InhA
50004853	1	ChEMBL_902594 (CHEMBL3047416)	Inhibition of HDAC8 (unknown origin) expressed in Escherichia coli using Boc-Lys (acetyl)-AMC as substrate incubated for 5 min prior to substrate addition measured after 30 min by fluorescence assay
50004854	1	ChEMBL_902795 (CHEMBL3062087)	Inhibition of Rattus norvegicus (rat) liver cytosolic CK2
50004854	2	ChEMBL_902630 (CHEMBL3050377)	Binding affinity to Homo sapiens (human) progesterone receptor
50004855	1	ChEMBL_902802 (CHEMBL3061541)	Inhibition of Calcium channel in Cavia porcellus albino (guinea pig) ileocecal SMC assessed as inhibition of 80 mM KCl-induced contraction
50004856	1	ChEMBL_902833 (CHEMBL3062127)	Inhibition of Streptococcus pneumoniae glutamate racemase
50004857	1	ChEMBL_899961 (CHEMBL3061737)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin)
50004857	2	ChEMBL_899957 (CHEMBL3062281)	Displacement of [3H]Ketanserin from 5-HT2A receptor in rat cortex
50004857	3	ChEMBL_899962 (CHEMBL3061738)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in Rattus norvegicus (rat) hippocampus
50004857	4	ChEMBL_899958 (CHEMBL3062282)	Binding affinity to 5-HT2A (unknown origin)
50004857	5	ChEMBL_899959 (CHEMBL3061735)	Binding affinity to 5-HT1A (unknown origin)
50004858	1	ChEMBL_899964 (CHEMBL3061740)	Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method
50004859	1	ChEMBL_899993 (CHEMBL3062548)	Inhibition of COX2 in Homo sapiens (human) whole blood
50004861	1	ChEMBL_900186 (CHEMBL3047468)	Inhibition of Homo sapiens (human) HDAC8
50004862	1	ChEMBL_900187 (CHEMBL3047469)	Inhibition of Plasmodium falciparum protein kinase 7
50004863	1	ChEMBL_900878 (CHEMBL3068057)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 20 min prior to substrate addition measured after 20 min by Ellman's method
50004864	1	ChEMBL_901082 (CHEMBL3062687)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity
50004864	2	ChEMBL_901081 (CHEMBL3062686)	Inhibition of Human immunodeficiency virus 1 integrase 3'-processing activity
50004866	1	ChEMBL_901083 (CHEMBL3062688)	Agonist activity at GST-tagged Homo sapiens (human) PPARdelta ligand binding domain after 2 hr by FRET assay
50004866	2	ChEMBL_901085 (CHEMBL3062690)	Agonist activity at Homo sapiens (human) PPARgamma expressed in mouse 3T3-L1 cells incubated for 2 days followed by compound wash out measured after 4 days by insulin receptor binding assay
50004866	3	ChEMBL_901084 (CHEMBL3062689)	Agonist activity at GST-tagged Homo sapiens (human) PPARalpha ligand binding domain after 2 hr by FRET assay
50004867	1	ChEMBL_901089 (CHEMBL3062694)	Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of KCl-induced vasoconstriction after 30 min relative to control
50004867	2	ChEMBL_901282 (CHEMBL3052049)	Inhibition of L-type calcium channel in neonatal rat cortical neurons assessed as inhibition of veratridine-induced intracellular calcium level incubated for 30 min followed by veratridine induction for 2 min by fluorimetric analysis
50004867	3	ChEMBL_901096 (CHEMBL3062175)	Inhibition of L-type calcium channel in Rattus norvegicus Wistar (rat) thoracic aorta assessed as relaxation of phenylephrine-induced vasoconstriction after 30 min relative to control
50004868	1	ChEMBL_901964 (CHEMBL3052128)	Displacement of [125I]-angiotensin 2 from angiotensin AT1 receptor in Rattus norvegicus (rat) uterine membranes
50004872	1	ChEMBL_901992 (CHEMBL3050992)	Inhibition of Escherichia coli K-12 MTCC 1302 UPRT activity by spectrophotometry
50004875	1	ChEMBL_899815 (CHEMBL3062171)	Inhibition of PARP-1 (unknown origin) assessed as inhibition of biotinylated poly(ADP-ribose) onto histone proteins after 30 min by colorimetry
50004877	1	ChEMBL_900249 (CHEMBL3053171)	Inhibition of AChE (unknown origin) after 10 min by Ellmans method
50004878	1	ChEMBL_900261 (CHEMBL3068027)	Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 min before substrate addition and measured after 10 min by spectrophotometry
50004878	2	ChEMBL_900258 (CHEMBL3068024)	Uncompetitive inhibition of yeast alpha-glucosidase by Lineweaver-Burk plot analysis
50004878	3	ChEMBL_900256 (CHEMBL3068022)	Mixed-type inhibition of yeast alpha-glucosidase by Lineweaver-Burk plot analysis
50004878	4	ChEMBL_900257 (CHEMBL3068023)	Competitive inhibition of yeast alpha-glucosidase by Dixon plot analysis
50004879	1	ChEMBL_900438 (CHEMBL3061855)	Inhibition of CDK1/Cyclin B (unknown origin) by Z-LYTE assay
50004881	1	ChEMBL_900683 (CHEMBL3050292)	Inhibition of Ovis aries (sheep) COX2 using arachidonic acid as substrate using cyclic naphthalene hydrazide by chemiluminescence assay
50004881	2	ChEMBL_900682 (CHEMBL3050291)	Inhibition of Ovis aries (sheep) COX1 using arachidonic acid as substrate using cyclic naphthalene hydrazide by chemiluminescence assay
50004882	1	ChEMBL_900685 (CHEMBL3050294)	Inhibition of Ovis aries (sheep) COX2 using arachidonic acid as substrate using cyclic naphthalene hydrazide by chemiluminescence assay
50004882	2	ChEMBL_900686 (CHEMBL3050295)	Inhibition of Ovis aries (sheep) COX1 using arachidonic acid as substrate using cyclic naphthalene hydrazide by chemiluminescence assay
50004883	1	ChEMBL_900691 (CHEMBL3050300)	Inhibition of CHK1 (unknown origin) assessed as inhibition of CDC25 phosphorylation after 30 min by DELFIA assay
50004884	1	ChEMBL_901119 (CHEMBL3061796)	Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105
50004884	2	ChEMBL_901116 (CHEMBL3061793)	Inhibition of Klebsiella pneumoniae beta-lactamase SHV-89
50004884	3	ChEMBL_901115 (CHEMBL3061792)	Inhibition of Citrobacter freundii beta-lactamase SHV-95
50004884	4	ChEMBL_901118 (CHEMBL3061795)	Inhibition of Acinetobacter baumannii beta-lactamase SHV-48
50004886	1	ChEMBL_901124 (CHEMBL3061801)	Inhibition of Saccharomyces cerevisiae (baker's yeast) alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate preincubated for 30 min before substrate addition measured after 1 hr by spectrophotometric analysis
50018296	2	ChEMBL_2269056	Binding affinity to biotinylated HDAC6 zinc finger ubiquitin binding domain (1109 to 1215 residues) (unknown origin) expressed in Escherichia coli by surface plasmon resonance assay
50004892	1	ChEMBL_901575 (CHEMBL3068556)	Antagonist activity at AT1 receptor in Oryctolagus cuniculus (rabbit) aorta
50004893	1	ChEMBL_902700 (CHEMBL3068697)	Inhibition of Canavalia ensiformis (jack bean) urease using urea as substrate after 15 min by indophenol-based spectrophotometric analysis
50004893	2	ChEMBL_902697 (CHEMBL3068694)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate incubated for 30 min prior to substrate addition by spectrophotometric analysis
50004893	3	ChEMBL_902698 (CHEMBL3068695)	Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine chloride as substrate incubated for 15 min prior to substrate addition measured for 15 min by spectrophotometric analysis
50004893	4	ChEMBL_902699 (CHEMBL3068696)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 15 min prior to substrate addition measured for 15 min by spectrophotometric analysis
50004893	5	ChEMBL_902701 (CHEMBL3068698)	Inhibition of Serpentes (snake) venom phosphodiesterase using bis(p-nitrophenyl)phosphate as substrate incubated for 30 min prior to substrate addition by spectrophotometric analysis
50004897	1	ChEMBL_899402 (CHEMBL3047878)	Antagonist activity at Cavia porcellus albino (guinea pig) calcium channel assessed as inhibition of KCl-induced ileal longitudinal smooth muscle contraction
50004899	1	ChEMBL_899657 (CHEMBL3052668)	Antagonist activity at Oryctolagus cuniculus (rabbit) aortic AT1 receptor
50004901	1	ChEMBL_899661 (CHEMBL3052672)	Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay
50004901	2	ChEMBL_899662 (CHEMBL3052673)	Transactivation of Homo sapiens (human) PPARgamma assessed as luciferase activity by reporter gene assay
50004903	1	ChEMBL_901886 (CHEMBL3063174)	Inhibition of Plasmodium falciparum recombinant falcipain 2 expressed in Escherichia coli using Z-Leu-Arg-AMC as substrate incubated for 30 min prior to substrate addition measured for 30 min by fluorometric analysis
50004908	1	ChEMBL_901623 (CHEMBL3062029)	Binding affinity to COX1 (unknown origin)
50004908	2	ChEMBL_901624 (CHEMBL3062030)	Binding affinity to COX2 (unknown origin)
50004908	3	ChEMBL_901626 (CHEMBL3061100)	Inhibition of COX2 (unknown origin)
50004908	4	ChEMBL_901625 (CHEMBL3061099)	Inhibition of COX1 (unknown origin)
50004910	1	ChEMBL_902360 (CHEMBL3047240)	Inhibition of Homo sapiens (human) recombinant C-terminal GST-tagged IGF1R expressed in baculovirus infected Sf21 cells by homogeneous time-resolved fluorescence assay
50004911	1	ChEMBL_900516 (CHEMBL3062684)	Inhibition of iNOS in Mus musculus (mouse) RAW264.7 cells assessed as inhibition of LPS-induced nitrite production incubated for 30 min prior to LPS challenge measured after 24 hr by Griess assay
50004911	2	ChEMBL_900549 (CHEMBL3061786)	Inhibition of Sp1 (unknown origin) by luciferase reporter gene assay
50004914	1	ChEMBL_901160 (CHEMBL3062629)	Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis
50004916	1	ChEMBL_901165 (CHEMBL3062634)	Inhibition of BACE1 (unknown origin)
50004916	2	ChEMBL_901166 (CHEMBL3062635)	Inhibition of Homo sapiens (human) Beta-secretase 1
50004917	1	ChEMBL_903031 (CHEMBL3063284)	Inhibition of Plasmodium falciparum W2 cysteine protease
50004918	1	ChEMBL_903145 (CHEMBL3047449)	Inhibition of Oryctolagus cuniculus (rabbit) CETP-mediated cholesteryl ester transfer after 1 hr by fluorescence assay
50004920	1	ChEMBL_903173 (CHEMBL3050773)	Binding affinity to MAOA (unknown origin) using 7-(3-amino-propoxy)-coumarin as substrate after 3 hr by spectrofluorometric analysis
50004920	2	ChEMBL_903172 (CHEMBL3050772)	Binding affinity to MAOB (unknown origin) using 7-(3-amino-propoxy)-coumarin as substrate after 3 hr by spectrofluorometric analysis
50004921	1	ChEMBL_903202 (CHEMBL3049062)	Inhibition of L-type calcium channel in Rattus norvegicus (rat) heart artery myocytes
50004922	1	ChEMBL_903251 (CHEMBL3047160)	Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry
50004924	1	ChEMBL_903347 (CHEMBL3051825)	Inhibition of microsomal epoxide hydrolase (unknown origin) using 7-(2-(Oxiran-2- yl)ethoxy) Resorufin by fluorometric method
50004925	1	ChEMBL_903412 (CHEMBL3061316)	Inhibition of alpha-glucosidase (unknown origin) using para-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 15 min prior to substrate addition measured after 15 min by spectrophotometric analysis
50004926	1	ChEMBL_903458 (CHEMBL3061782)	Displacement of [3H]SR14716 from CB1 receptor in Rattus norvegicus (rat) cerebellum homogenate after 2 hr by scintillation counting
50004927	1	ChEMBL_907765 (CHEMBL3065688)	Inhibition of Magnaporthe grisea scytalone dehydratase
50004930	1	ChEMBL_907777 (CHEMBL3066369)	Inhibition of Escherichia coli imidazoleglycerol phosphate dehydratase using imidazole glycerol phosphate as substrate incubated for 30 min prior to substrate addition measured for 16 min by spectrophotometric analysis
50004932	1	ChEMBL_908157 (CHEMBL3066033)	Inhibition of photosynthetic electron transport at the PSII level in intact chloroplasts from Spinacia oleracea (spinach) leaves assessed as inhibition of in vitro activity by Hill reaction assay
50004935	1	ChEMBL_908493 (CHEMBL3068012)	Inhibition of Arabidopsis thaliana AHAS expressed in Escherichia coli strain BL21 (DE3) by colorimetric assay
50004936	1	ChEMBL_906177 (CHEMBL3068331)	Inhibition of Spinacia oleracea (spinach) photosystem II mediated noncyclic photophosphorylation assessed as 32P-orthophosphate incorporation into ATP by polarographically
50004936	2	ChEMBL_906325 (CHEMBL3065188)	Inhibition of Spinacia oleracea (spinach) photosystem II assessed as electron flow from H20 to PDOX after 1 hr by polarographically
50004937	1	ChEMBL_906554 (CHEMBL3067256)	Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase
50004938	1	ChEMBL_906756 (CHEMBL3051465)	Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation counting
50004938	2	ChEMBL_906757 (CHEMBL3053219)	Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting
50004939	1	ChEMBL_907085 (CHEMBL3067702)	Noncompetitive inhibition of Arabidopsis thaliana P5C reductase by Lineweaver-Burk plot in presence of NADPH
50004939	2	ChEMBL_907087 (CHEMBL3067704)	Noncompetitive inhibition of Arabidopsis thaliana P5C reductase by Lineweaver-Burk plot
50004939	3	ChEMBL_907086 (CHEMBL3067703)	Uncompetitive inhibition of Arabidopsis thaliana P5C reductase by Dixon plot
50004940	1	ChEMBL_908540 (CHEMBL3067960)	Inhibition of Arabidopsis thaliana P5C assessed as reduction in NADH oxidation incubated at 35 degC up to 10 min
50004940	2	ChEMBL_908538 (CHEMBL3067958)	Inhibition of Oryza sativa (rice) glutamine synthetase
50004942	1	ChEMBL_907345 (CHEMBL3065646)	Inhibition of protoporphyrinogen oxidase in Zea mays (maize) seedlings leaves etioplasts using protoporphyrinogen IX incubated for 30 min by fluorescence spectroscopy
50004944	1	ChEMBL_908054 (CHEMBL3068208)	Inhibition of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase
50004946	1	ChEMBL_908680 (CHEMBL3066175)	Inhibition of Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis
50004948	1	ChEMBL_908690 (CHEMBL3065755)	Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate
50004949	1	ChEMBL_908731 (CHEMBL3066158)	Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry
50004950	1	ChEMBL_908733 (CHEMBL3066160)	Inhibition of Arabidopsis thaliana recombinant ACS5 expressed in Escherichia coli (BL21) assessed as oxidation of ACC to ethylene preincubated for 30 min measured after 10 min by gas chromatography
50004950	2	ChEMBL_908732 (CHEMBL3066159)	Competitive inhibition of Arabidopsis thaliana recombinant ACS5 expressed in Escherichia coli (BL21) assessed as oxidation of ACC to ethylene by Lineweaver-Burk plot analysis
50004952	1	ChEMBL_908776 (CHEMBL3066844)	Inhibition of Homo sapiens (human) protoporphyrinogen oxidase
50004953	1	ChEMBL_908778 (CHEMBL3066846)	Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor
50004957	1	ChEMBL_908845 (CHEMBL3067867)	Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay
50004957	2	ChEMBL_908842 (CHEMBL3067864)	Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI binding by radioligand binding assay
50004957	3	ChEMBL_908843 (CHEMBL3067865)	Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay
50004957	4	ChEMBL_908844 (CHEMBL3067866)	Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand binding assay
50004958	1	ChEMBL_908910 (CHEMBL3068296)	Inhibition of acetylcholinesterase in Drosophila melanogaster brain by Ellman's method
50004958	2	ChEMBL_908909 (CHEMBL3068295)	Inhibition of acetylcholinesterase in Musca domestica (house fly) brain by Ellman's method
50004959	1	ChEMBL_909058 (CHEMBL3049782)	Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase
50004959	2	ChEMBL_909060 (CHEMBL3049784)	Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using delta 8,14-cholestadienol as substrate after 90 min by GC analysis
50004959	3	ChEMBL_909059 (CHEMBL3049783)	Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase
50004962	1	ChEMBL_910808 (CHEMBL3057564)	Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	2	ChEMBL_910812 (CHEMBL3057568)	Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D2 trunk/D2 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	3	ChEMBL_910811 (CHEMBL3057567)	Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	4	ChEMBL_910805 (CHEMBL3057561)	Agonist activity at Rattus norvegicus (rat) dopamine D2 receptor transfected in african green monkey COS7 cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 10 min
50004962	5	ChEMBL_910807 (CHEMBL3057563)	Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	6	ChEMBL_910818 (CHEMBL3057574)	Binding affinity to Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	7	ChEMBL_910813 (CHEMBL3057569)	Binding affinity to Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	8	ChEMBL_910817 (CHEMBL3057573)	Binding affinity to Rattus norvegicus (rat) chimeric dopamine D2 trunk/D2 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004962	9	ChEMBL_910814 (CHEMBL3057570)	Binding affinity to Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting
50004964	1	ChEMBL_910820 (CHEMBL3058110)	Binding affinity to histamine H3 receptor in Cavia porcellus (guinea pig) ileum
50004964	2	ChEMBL_910821 (CHEMBL3058111)	Binding affinity to histamine H2 receptor (unknown origin)
50004964	3	ChEMBL_910819 (CHEMBL3058109)	Binding affinity to histamine H3 receptor (unknown origin)
50004967	1	ChEMBL_910835 (CHEMBL3058125)	Agonist activity at Homo sapiens (human) adenosine A2b receptor expressed in CHO cells
50004967	2	ChEMBL_910841 (CHEMBL3054278)	Agonist activity at Homo sapiens (human) adenosine A1 receptor expressed in CHO cells
50004967	3	ChEMBL_910834 (CHEMBL3058124)	Agonist activity at Homo sapiens (human) adenosine A3 receptor expressed in CHO cells
50004967	4	ChEMBL_910837 (CHEMBL3058127)	Agonist activity at Homo sapiens (human) adenosine A2a receptor expressed in CHO cells
50004968	1	ChEMBL_911065 (CHEMBL3056712)	Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay
50004968	2	ChEMBL_911064 (CHEMBL3056711)	Agonist activity at alpha1A adrenoreceptor in Oryctolagus cuniculus (rabbit) urethra
50004968	3	ChEMBL_911063 (CHEMBL3056710)	Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay
50004968	4	ChEMBL_911066 (CHEMBL3056713)	Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay
50004968	5	ChEMBL_911062 (CHEMBL3056709)	Agonist activity at alpha1B adrenoreceptor in Rattus norvegicus (rat) spleen
50004968	6	ChEMBL_911060 (CHEMBL3057221)	Agonist activity at alpha1D adrenoreceptor in Rattus norvegicus (rat) aorta
50004968	7	ChEMBL_911054 (CHEMBL3057215)	Binding affinity to Rattus norvegicus (rat) alpha2B receptor isolated from neonatal lung
50004968	8	ChEMBL_911057 (CHEMBL3057218)	Binding affinity to Homo sapiens (human) alpha2A receptor
50004970	1	ChEMBL_911245 (CHEMBL3056375)	Displacement of [I125]ET1 from Homo sapiens (human) ETB receptor expressed in CHO cells
50004970	2	ChEMBL_911247 (CHEMBL3056377)	Displacement of [I125]ET1 from Homo sapiens (human) ETA receptor expressed in CHO cells
50004971	1	ChEMBL_911251 (CHEMBL3056381)	Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells
50004972	1	ChEMBL_911271 (CHEMBL3058319)	Displacement of [3H]prazosin from Homo sapiens (human) alpha1B adrenergic receptor
50004972	2	ChEMBL_911256 (CHEMBL3056396)	Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) CEC-treated hippocampus
50004972	3	ChEMBL_911270 (CHEMBL3058318)	Displacement of [3H]prazosin from Homo sapiens (human) alpha1D adrenergic receptor
50004972	4	ChEMBL_911272 (CHEMBL3058320)	Displacement of [3H]prazosin from Homo sapiens (human) alpha1A adrenergic receptor
50004972	5	ChEMBL_911257 (CHEMBL3056397)	Binding affinity to alpha1B adrenoreceptor in Rattus norvegicus (rat) liver
50004972	6	ChEMBL_911259 (CHEMBL3058307)	Binding affinity to alpha1B adrenoreceptor (unknown origin) by radioligand binding assay
50004973	1	ChEMBL_911281 (CHEMBL3058329)	Displacement of [3H]-Ro 15-4513 from Homo sapiens (human) recombinant GABAA alpha4beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004973	2	ChEMBL_911282 (CHEMBL3058330)	Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha3beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004973	3	ChEMBL_911283 (CHEMBL3058331)	Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha2beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004973	4	ChEMBL_911284 (CHEMBL3058332)	Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha1beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004973	5	ChEMBL_911280 (CHEMBL3058328)	Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alpha5beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004973	6	ChEMBL_911279 (CHEMBL3058327)	Displacement of [3H]-Ro 15-4513 from Homo sapiens (human) recombinant GABAA alpha6beta3gamma2 receptor expressed in Ltk- cells after 1 hr by liquid scintillation counting
50004974	1	ChEMBL_911478 (CHEMBL3054902)	Inhibition of COX2 (unknown origin) expressed in CHO cells
50004976	1	ChEMBL_911683 (CHEMBL3055330)	Inhibition of adenosine kinase (unknown origin)
50004977	1	ChEMBL_911945 (CHEMBL3056385)	Inhibition of CETP (unknown origin)-mediated [3H]cholesteryl ester transfer from HDL donor particles to LDL acceptor particles
50004979	1	ChEMBL_911946 (CHEMBL3056386)	Inhibition of EGFR (unknown origin)
50004980	1	ChEMBL_911947 (CHEMBL3056387)	Antagonist activity at Homo sapiens (human) histamine H4 receptor
50004981	1	ChEMBL_911953 (CHEMBL3058294)	Agonist activity at PPARalpha (unknown origin)
50004982	1	ChEMBL_911963 (CHEMBL3058794)	Inhibition of Rattus norvegicus Wistar (rat) rat glutamate cysteine ligase using glutamate as substrate incubated for 10 min prior to substrate addition measured for 5 min by spectrophotometric analysis
50004982	2	ChEMBL_911964 (CHEMBL3058795)	Inhibition of Setaria cervi glutamate cysteine ligase using glutamate as substrate incubated for 10 min prior to substrate addition measured for 5 min by spectrophotometric analysis
50004982	3	ChEMBL_911966 (CHEMBL3058797)	Inhibition of Setaria cervi Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis
50004982	4	ChEMBL_911965 (CHEMBL3058796)	Inhibition of Rattus norvegicus Wistar (rat) rat Gamma-glutamyltranspeptidase using L-gamma-glutamyl-p-nitroanilide as substrate incubated for 15 min prior to substrate addition by spectrophotometric analysis
50004983	1	ChEMBL_912077 (CHEMBL3062224)	Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor
50010336	78	ChEBML_1970630	Inhibition of recombinant human full-length GST-tagged CSNK1E expressed in insect cells using FRET-labeled Ser/Thr 11 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	79	ChEBML_1970631	Inhibition of recombinant human full-length GST-tagged CSNK1G1 expressed in baculovirus expression system using FRET-labeled Ser/Thr 05 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	80	ChEBML_1970632	Inhibition of recombinant human full-length His-tagged CSNK1G2 expressed in baculovirus expression system using FRET-labeled Ser/Thr 05 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	81	ChEBML_1970633	Inhibition of recombinant human full-length GST-tagged CSNK1G3 expressed in baculovirus expression system using FRET-labeled Ser/Thr 05 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	82	ChEBML_1970634	Inhibition of recombinant human full-length His-tagged CSNK2A1 expressed in baculovirus expression system using FRET-labeled Ser/Thr 11 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	83	ChEBML_1970635	Inhibition of recombinant human full-length GST-tagged CSNK2A2 expressed in baculovirus expression system using FRET-labeled Ser/Thr 11 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	84	ChEBML_1970636	Inhibition of recombinant human GST-tagged DAPK1 catalytic domain (1 to 363 residues) expressed in baculovirus expression system using ZIPtide peptide as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	85	ChEBML_1970637	Inhibition of recombinant human full-length GST-tagged DAPK3 expressed in baculovirus expression system using FRET-labeled Ser/Thr 13 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	86	ChEBML_1970638	Inhibition of recombinant full length human GST-tagged DCAMKL2 expressed in baculovirus expression system using serine/threonine-17 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	87	ChEBML_1970639	Inhibition of recombinant human DNA-PK expressed in baculovirus expression system using serine/threonine-26 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	88	ChEBML_1970640	Inhibition of recombinant full length human GST-tagged DYRK1A expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	89	ChEBML_1970641	Inhibition of recombinant full length human GST-tagged DYRK1B expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	90	ChEBML_1970642	Inhibition of recombinant full length human GST-tagged DYRK3 expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	91	ChEBML_1970643	Inhibition of recombinant full length human GST-tagged DYRK4 expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	92	ChEBML_1970644	Inhibition of recombinant human full length GST-tagged EEF2K expressed in Escherichia coli expression system using serine/threonine-24 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	285	ChEMBL_1970752 (CHEMBL4603570)	Inhibition of recombinant human GST-tagged PDGFRalpha D842V cytoplasmic domain expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	220	ChEBML_1970784	Inhibition of recombinant full length human GST-tagged PRKG1 expressed in baculovirus expression system using serine/threonine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	95	ChEMBL_1970647 (CHEMBL4603465)	Inhibition of human recombinant GST-tagged EGFR L861Q mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	93	ChEMBL_1970645 (CHEMBL4603463)	Inhibition of recombinant human GST-tagged EGFR expressed in baculovirus expression system using tyr-04 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	98	ChEBML_1970650	Inhibition of recombinant human GST-tagged EPHA2 cytoplasmic domain expressed in baculovirus expression system using tyrosine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-Lyte assay
50010336	99	ChEBML_1970651	Inhibition of tracer 236 binding to recombinant human His-tagged EPHA3 (569 to 976 residues) expressed in baculovirus expression system measured after 60 mins in presence of ATP by Lanthascreen assay
50010336	100	ChEBML_1970652	Inhibition of recombinant human GST-tagged EPHA4 cytoplasmic domain expressed in baculovirus expression system using tyrosine-02 peptide as substrate incubated for 60 mins in presence of ATP by Z'-Lyte assay
50010336	101	ChEBML_1970653	Inhibition of recombinant human GST-tagged EPHA5 cytoplasmic domain expressed in baculovirus expression system using tyrosine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-Lyte assay
50010336	102	ChEBML_1970654	Inhibition of recombinant human GST-tagged EPHA8 catalytic domain (565 to 1005 residues) expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	103	ChEBML_1970655	Inhibition of recombinant human GST-tagged EPHB2 catalytic domain (616 to 884 residues) expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	104	ChEBML_1970656	Inhibition of recombinant human GST-tagged EPHB3 catalytic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	105	ChEBML_1970657	Inhibition of recombinant human His-tagged EPHB4 (561 to 987 residues) catalytic domain expressed in baculovirus expression system using tyrosine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	106	ChEBML_1970658	Inhibition of human recombinant ERBB2 (537 to 636 residues) expressed in Escherichia coli using Tyr 06 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	107	ChEBML_1970659	Inhibition of recombinant human N-terminal GST-tagged ERBB4 catalytic domain (708 to 993 residues) expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	108	ChEBML_1970660	Inhibition of recombinant GST-tagged human FER (541 to 822 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 05 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	109	ChEBML_1970661	Inhibition of recombinant His-tagged full length human FES expressed in baculovirus expression system using Tyr 01 peptide as substrate after 1 hr by Z'-LYTE assay
50010336	110	ChEBML_1970662	Inhibition of recombinant His-tagged human FGFR1 cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	111	ChEBML_1970663	Inhibition of recombinant His-tagged human FGFR2 (403 to 822 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50004990	1	ChEMBL_909469 (CHEMBL3057653)	Inhibition of Human immunodeficiency virus 1 RT using Poly(vC)oligo (dG) as template/primer after 30 min
50004992	1	ChEMBL_909609 (CHEMBL3057495)	Displacement of [3H]nicotine from Homo sapiens (human) alpha4beta2 nicotinic acetylcholine receptor expressed in Homo sapiens (human) SH-EP1 cells after 2.5 min by scintillation counting
50004992	2	ChEMBL_909611 (CHEMBL3057497)	Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin)
50004993	1	ChEMBL_909636 (CHEMBL3053712)	Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method
50004993	2	ChEMBL_909635 (CHEMBL3053711)	Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method
50004995	1	ChEMBL_909672 (CHEMBL3055553)	Inhibition of Human immunodeficiency virus 1 integrase
50010336	184	ChEBML_1970750	Inhibition of recombinant human GST-tagged PASK catalytic domain expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	113	ChEBML_1970665	Inhibition of recombinant N-terminal His-tagged human FGFR3 K650E mutant (398 to 806 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	114	ChEBML_1970666	Inhibition of recombinant human His-tagged FGFR4 catalytic domain (781 to 1338 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	115	ChEBML_1970667	Inhibition of recombinant human GST-tagged FLT1 catalytic domain (781 to 1338 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	116	ChEBML_1970669	Inhibition of recombinant human His-tagged FLT3 D835Y mutant cytoplasmic domain expressed in baculovirus expression system after 1 using tyrosine 2 as substrate after 1 hr in presence of ATP by ZYLTE assay
50004997	1	ChEMBL_910192 (CHEMBL3059474)	Inhibition of COX-1 (unknown origin)
50004997	2	ChEMBL_910191 (CHEMBL3059473)	Inhibition of Homo sapiens (human) cyclooxygenase-2
50010336	141	ChEMBL_1970693 (CHEMBL4603511)	Inhibition of human recombinant GST tagged JAK2 V617F mutant catalytic domain expressed in baculovirus expression system using Tyr6 peptide as substrate measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	118	ChEBML_1970670	Inhibition of recombinant human GST-tagged FLT4 cytoplasmic domain expressed in baculovirus expression system after 1 using tyrosine 4 as substrate after 1 hr in presence of ATP by ZYLTE assay
50010336	119	ChEBML_1970671	Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using serine/threonine-11 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	120	ChEBML_1970672	Inhibition of recombinant full length GST-tagged human FRK expressed in baculovirus expression system using tyrosine 1 as substrate after 1 hr in presence of ATP by ZYLTE assay
50010336	121	ChEBML_1970673	Inhibition of recombinant full length C-terminal His-tagged human FYN cytoplasmic domain expressed in baculovirus expression system using fluorophore-labeled tyrosine-2 peptide as substrate after 1 hr in presence of ATP by Z'-Lyte assay
50010336	122	ChEBML_1970674	Inhibition of recombinant full length human GST-tagged GRK5 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	123	ChEBML_1970675	Inhibition of recombinant full length human GST-tagged GRK6 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	124	ChEBML_1970676	Inhibition of recombinant full length human GST-tagged GRK7 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	125	ChEBML_1970677	Inhibition of recombinant N-terminal GST tagged human GSG2 catalytic domain (471 to 798 residues) expressed in baculovirus expression system using Histone H3 (1-20) peptide as substrate after 1 hr in presence of ATP by ADAPTA assay
50010336	126	ChEBML_1970678	Inhibition of recombinant human GST-tagged HIPK1 catalytic domain expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	127	ChEBML_1970679	Inhibition of recombinant human GST-tagged HIPK2 expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	128	ChEBML_1970680	Inhibition of recombinant human His-tagged HIPK3 catalytic domain expressed in baculovirus expression system using serine/threonine-9 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50005002	1	ChEMBL_911108 (CHEMBL3055293)	Binding affinity to aryl hydrocarbon receptor (unknown origin)
50005004	1	ChEMBL_911330 (CHEMBL3056339)	Inhibition of aldose reductase (unknown origin)
50005005	1	ChEMBL_911565 (CHEMBL3056708)	Inhibition of Rattus norvegicus (rat) 5-lipoxygenase
50005007	1	ChEMBL_911572 (CHEMBL3056727)	Inhibition of caspase-3 (unknown origin)
50005009	1	ChEMBL_911772 (CHEMBL3055876)	Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation counting
50010336	129	ChEBML_1970681	Inhibition of recombinant full length human N-terminal GST-tagged HIPK4 expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	130	ChEBML_1970682	Inhibition of recombinant human His-tagged IGF1R expressed in baculovirus expression system using tyrosine 1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	131	ChEBML_1970683	Inhibition of recombinant full length His-tagged human IKKalpha expressed in baculovirus expression system after 1 hr in presence of ATP by Adapta assay
50010336	132	ChEBML_1970684	Inhibition of recombinant human full-length GST-tagged IKBKB expressed in baculovirus expression system using FRET-labeled Ser/Thr 05 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50010336	133	ChEBML_1970685	Inhibition of recombinant human full-length GST-tagged IKBKE expressed in baculovirus expression system using Ser/Thr 11 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte assay
50005011	1	ChEMBL_911984 (CHEMBL3056825)	Inhibition of Cryptosporidium parvum recombinant DHFR using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectrophotometric assay
50005011	2	ChEMBL_911983 (CHEMBL3056824)	Inhibition of Homo sapiens (human) dihydrofolate reductase using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectrophotometric assay
50005012	1	ChEMBL_909213 (CHEMBL3054109)	Displacement of [3H]DPCPX from adenosine A1 receptor in Bos taurus (bovine) cortical membrane
50005012	2	ChEMBL_909219 (CHEMBL3054115)	Displacement of [3H]CGS21680 from Homo sapiens (human) adenosine A2A receptor expressed in CHO cells
50005012	3	ChEMBL_909217 (CHEMBL3054113)	Displacement of [3H]DPCPX from Homo sapiens (human) adenosine A1 receptor expressed in CHO cells
50005012	4	ChEMBL_909215 (CHEMBL3054111)	Displacement of [3H]CGS21680 from adenosine A2A receptor in Bos taurus (bovine) cortical membrane
50005012	5	ChEMBL_909208 (CHEMBL3054104)	Inhibition of Cavia porcellus (guinea pig) PDE3 isolated from heart using [3H]cAMP as substrate by two-step method
50005013	1	ChEMBL_909356 (CHEMBL3055183)	Inhibition of PPAR-alpha (unknown origin) by SPA assay
50005013	2	ChEMBL_909357 (CHEMBL3055184)	Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay
50005015	1	ChEMBL_909361 (CHEMBL3055188)	Binding affinity to ODC (unknown origin)
50005016	1	ChEMBL_909398 (CHEMBL3057170)	Antagonist activity at Calcium channel in Cavia porcellus (guinea pig) ileal smooth muscle assessed as inhibition of 40 mM KCl-induced contraction compound pretreated for 15 min before KCl treatment
50005017	1	ChEMBL_909399 (CHEMBL3057171)	Inhibition of COX2 in Mus musculus (mouse) peritoneal macrophage
50005018	1	ChEMBL_909400 (CHEMBL3057695)	Inhibition of H1 receptor in Cavia porcellus Hartley (guinea pig) ileum assessed as inhibition of histamine-induced spasms incubated 2 min prior histamine-challenge
50005020	1	ChEMBL_909511 (CHEMBL3064681)	Inhibition of candida N-myristoyltransferase
50005021	1	ChEMBL_909515 (CHEMBL3064685)	Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylcholine iodide as substrate by Ellman method
50005024	1	ChEMBL_909519 (CHEMBL3055685)	Inhibition of Homo sapiens (human) recombinant monoacylglycerol lipase assessed as inhibition of [3H]-2-oleolylglycerol hydrolysis after 10 min by liquid scintillation counting
50005024	2	ChEMBL_909518 (CHEMBL3055684)	Inhibition of Homo sapiens (human) recombinant fatty acid amide hydrolase assessed as inhibition of [3H]-AEA hydrolysis after 10 min by liquid scintillation counting
50005026	1	ChEMBL_909521 (CHEMBL3055687)	Inhibition of Bos taurus (bovine) heart cAMP-dependent phosphodiesterase assessed as inhibition of cyclic AMP to 5' AMP after 20 min by spectrophotometry
50005030	1	ChEMBL_909868 (CHEMBL3054670)	Binding affinity to Influenza virus A Hemagglutinin
50005033	1	ChEMBL_910062 (CHEMBL3055782)	Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hr
50005034	1	ChEMBL_910066 (CHEMBL3057677)	Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hr
50005035	1	ChEMBL_910239 (CHEMBL3057533)	Binding affinity to Homo sapiens (human) 5HT1B receptor by radioligand binding assay
50005035	2	ChEMBL_910238 (CHEMBL3057532)	Binding affinity to Homo sapiens (human) 5HT1D receptor by radioligand binding assay
50005036	1	ChEMBL_910383 (CHEMBL3056066)	Inhibition of calcium channel in Cavia porcellus (guinea pig) ileum assessed as inhibition of KCl-induced contraction
50005037	1	ChEMBL_910709 (CHEMBL3056264)	Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos taurus (bovine) adrenal cortical membrane
50005038	1	ChEMBL_911152 (CHEMBL3057813)	Inhibition of wild type Human immunodeficiency virus 1 reverse transcriptase after 30 min by fluorescence microplate reader analysis
50005040	1	ChEMBL_911177 (CHEMBL3055839)	Antagonist activity at angiotensin 2 type-1 receptor in Oryctolagus cuniculus (rabbit) aorta in presence of bovine serum albumin
50005042	1	ChEMBL_911390 (CHEMBL3056799)	Antagonist activity at angiotensin 2 type-1 receptor (unknown origin)
50005044	1	ChEMBL_909243 (CHEMBL3056015)	Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by fluorescence polarization assay
50005044	2	ChEMBL_909251 (CHEMBL3056567)	Inhibition of Homo sapiens (human) DNA topoisomerase 2
50005044	3	ChEMBL_909255 (CHEMBL3056571)	Inhibition of Homo sapiens (human) cyclin-dependent kinase 6
50005044	4	ChEMBL_909256 (CHEMBL3056572)	Inhibition of GST-fused CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 cells after 10 min in presence of [gamma-32PP]ATP
50005044	5	ChEMBL_909254 (CHEMBL3056570)	Inhibition of DNA topoisomerase 1 in Homo sapiens (human) HCT116 cells
50005044	6	ChEMBL_909244 (CHEMBL3056016)	Inhibition of DNA topoisomerase 2 (unknown origin)
50005044	7	ChEMBL_909249 (CHEMBL3056021)	Inhibition of VEGFR2 (unknown origin)
50005044	8	ChEMBL_909253 (CHEMBL3056569)	Inhibition of DNA topoisomerase 1 in Homo sapiens (human) VACO 241 cells
50005044	9	ChEMBL_909257 (CHEMBL3056573)	Inhibition of CDK2 (unknown origin)
50005044	10	ChEMBL_909252 (CHEMBL3056568)	Inhibition of DNA topoisomerase 1 in Homo sapiens (human) SW480 cells
50005044	11	ChEMBL_909245 (CHEMBL3056017)	Inhibition of DNA topoisomerase 1 (unknown origin)
50005044	12	ChEMBL_909258 (CHEMBL3056574)	Inhibition of GST-fused CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells after 10 min in presence of [gamma-32PP]ATP
50005044	13	ChEMBL_909250 (CHEMBL3056566)	Inhibition of Saccharomyces cerevisiae DNA topoisomerase 2
50005045	1	ChEMBL_909259 (CHEMBL3056575)	Binding affinity to aryl hydrocarbon receptor (unknown origin)
50005046	1	ChEMBL_909575 (CHEMBL3059445)	Agonist activity at Homo sapiens (human) beta2 adrenoreceptor
50005046	2	ChEMBL_909576 (CHEMBL3059446)	Agonist activity at Homo sapiens (human) beta1 adrenoreceptor
50005046	3	ChEMBL_909573 (CHEMBL3059443)	Agonist activity at Homo sapiens (human) beta3 adrenoreceptor
50005047	1	ChEMBL_909770 (CHEMBL3056042)	Inhibition of Homo sapiens (human) NEU3 expressed in HEK293 cells using mixed ganglioside as substrate after 10 to 30 min by fluorometric analysis
50005047	2	ChEMBL_909772 (CHEMBL3056044)	Inhibition of Homo sapiens (human) NEU1 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis
50005047	3	ChEMBL_909769 (CHEMBL3056041)	Inhibition of Homo sapiens (human) NEU4 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis
50005047	4	ChEMBL_909771 (CHEMBL3056043)	Inhibition of Homo sapiens (human) NEU2 expressed in HEK293 cells using 4MU-NeuAc as substrate after 10 to 30 min by fluorometric analysis
50005048	1	ChEMBL_911442 (CHEMBL3058172)	Inhibition of microtubule polymerisation in Rattus norvegicus (rat) A10 cells
50005049	1	ChEMBL_911464 (CHEMBL3054888)	Inhibition of Ovis aries (sheep) brain tubulin polymerization assessed as microtubule assembly after 15 min by measuring turbidity based spectroscopic analysis
50005049	2	ChEMBL_911463 (CHEMBL3054887)	Inhibition of Ovis aries (sheep) brain tubulin polymerization assessed as microtubule assembly after 30 min by CD spectra analysis
50005049	3	ChEMBL_911456 (CHEMBL3054874)	Binding affinity to Ovis aries (sheep) brain tubulin assessed as intrinsic tryptophan fluorescence after 30 min by fluorescence spectroscopic analysis
50005050	1	ChEMBL_910100 (CHEMBL3055692)	Inhibition ofRattus norvegicus alpha-glucosidase isolated from intestine using PNPG as substrate incubated for 15 min prior to substrate addition measured after 15 min by spectrophotometric analysis
50005051	1	ChEMBL_910116 (CHEMBL3056218)	Inhibition of GSK3alpha/beta (unknown origin)
50005051	2	ChEMBL_910117 (CHEMBL3056219)	Inhibition of CDK5/p25 (unknown origin)
50005052	1	ChEMBL_912841 (CHEMBL3056510)	Inhibition of Rattus norvegicus (rat) aldose reductase isolated from lens using DL-glyceraldehyde as substrate after 30 min by fluorometric analysis
50005052	2	ChEMBL_912840 (CHEMBL3056509)	Inhibition of aldose reductase (unknown origin)
50005056	1	ChEMBL_912978 (CHEMBL3057027)	Transactivation activity at PPARgamma (unknown origin)
50005056	2	ChEMBL_912979 (CHEMBL3057028)	Transactivation activity at Homo sapiens (human) PPARgamma
50005057	1	ChEMBL_913306 (CHEMBL3062798)	Mixed type inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate preincubated for 10 min by Cornish-Bowden plot analysis
50005057	2	ChEMBL_913307 (CHEMBL3062799)	Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate preincubated for 10 min by Cornish-Bowden plot analysis
50005057	3	ChEMBL_913308 (CHEMBL3053565)	Inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate
50005058	1	ChEMBL_913392 (CHEMBL3054593)	Displacement of [3H]-diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells after 30 min by liquid scintillation counting
50005059	1	ChEMBL_912206 (CHEMBL3055360)	Inhibition of Human immunodeficiency virus 1 integrase
50005060	1	ChEMBL_912214 (CHEMBL3055368)	Inhibition of PDE5 (unknown origin)
50005064	1	ChEMBL_912278 (CHEMBL3055898)	Inhibition of PTP1B (unknown origin)
50005066	1	ChEMBL_912301 (CHEMBL3063318)	Inhibition of Toxoplasma gondii adenosine kinase
50005067	1	ChEMBL_912383 (CHEMBL3056455)	Inhibition of rat intestinal alpha-glucosidase using para-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 5 min prior to substrate addition measured after 5 min by spectrophotometric analysis
50005068	1	ChEMBL_912404 (CHEMBL3057000)	Inhibition of Homo sapiens (human) topoisomerase 2 assessed as decatenation of KDNA by agarose gel electrophoresis
50005069	1	ChEMBL_912478 (CHEMBL3056936)	Inhibition of telomerase in Homo sapiens (human) A549 cells after 24 hr by TRAP assay
50005069	2	ChEMBL_912479 (CHEMBL3056937)	Inhibition of telomerase (unknown origin)
50005069	3	ChEMBL_912480 (CHEMBL3056938)	Inhibition of Homo sapiens (human) telomerase
50005069	4	ChEMBL_912477 (CHEMBL3056935)	Inhibition of telomerase in Homo sapiens (human) HeLa cells after 30 min by TRAP assay
50005069	5	ChEMBL_912476 (CHEMBL3056934)	Inhibition of Homo sapiens (human) telomerase assessed as formation of G-tetraplexes by gel mobility shift assay
50005069	6	ChEMBL_912481 (CHEMBL3056939)	Inhibition of telomerase in Homo sapiens (human) A549 cells by TRAP assay
50005070	4	ChEMBL_912540 (CHEMBL3056860)	Agonist activity at Homo sapiens (human) 5-HT2C receptor
50005070	5	ChEMBL_912543 (CHEMBL3056863)	Binding affinity to Homo sapiens (human) 5-HT2C receptor
50005071	1	ChEMBL_912688 (CHEMBL3053585)	Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min
50005071	2	ChEMBL_912690 (CHEMBL3053587)	Inhibition of APM (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min
50005071	3	ChEMBL_912693 (CHEMBL3053590)	Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-2 degradation after 30 min
50005071	4	ChEMBL_912692 (CHEMBL3053589)	Inhibition of DPP-4 (unknown origin) assessed as inhibition of endomorphin-1 degradation after 30 min
50005072	1	ChEMBL_912706 (CHEMBL3055410)	Inhibition of Rattus norvegicus (rat) lens aldose reductase
50005073	1	ChEMBL_912922 (CHEMBL3057085)	Inhibition of Glycine max (soybean) lipoxygenase assessed as formation of 13-hydroperoxylinoleic acid using sodium linoleate as substrate after 7 min
50005075	1	ChEMBL_913099 (CHEMBL3058893)	Inhibition of Helicobacter pylori urease
50005076	1	ChEMBL_913219 (CHEMBL3053598)	Inhibition of Homo sapiens (human) dehydroorotate dihydrogenase using 2,6-dichlorophenol-indophenol as substrate after 10 min by spectrophotometric analysis
50005077	1	ChEMBL_913220 (CHEMBL3053599)	Antagonist activity at Homo sapiens (human) CCR5 receptor
50005079	1	ChEMBL_913238 (CHEMBL3053620)	Inhibition of KDR kinase activity (unknown origin)
50005080	1	ChEMBL_912154 (CHEMBL3062188)	Inhibition of AMPA binding to Rattus norvegicus (rat) whole brain AMPA receptor
50005083	1	ChEMBL_916418 (CHEMBL3082459)	Binding affinity to tryptophan synthase alpha2/beta2 complex in Escherichia coli K-12 by equlibrium dialysis method
50005084	1	ChEMBL_917696 (CHEMBL3052327)	Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila melanogaster head membrane after 90 min by filter binding assay
50005084	2	ChEMBL_917698 (CHEMBL3052329)	Displacement of [3H]IMI from nicotinic acetylcholine receptor in Aphis craccivora (cowpea aphid) whole body membrane after 90 min by filter binding assay
50005084	3	ChEMBL_917697 (CHEMBL3052328)	Displacement of [3H]IMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membrane after 90 min by filter binding assay
50018296	3	ChEMBL_2269058	Binding affinity to full length biotinylated USP5 (1 to 835 residues) (unknown origin) expressed in Escherichia coli by surface plasmon resonance assay
50018296	4	ChEMBL_2269061	Displacement of N-terminal FITC-labeled Ub from full length biotinylated USP5 (unknown origin) expressed in Escherichia coli incubated for 1 hr by fluorescence competition assay
50018296	5	ChEMBL_2269062	Displacement of N-terminal FITC-labeled Ub from biotinylated USP5 zinc finger ubiquitin binding domain (171 to 290 residues) (unknown origin) expressed in Escherichia coli incubated for 1 hr by fluorescence competition assay
50018296	6	ChEMBL_2269064	Inhibition of full length USP5 (1 to 835 residues) (unknown origin) expressed in Escherichia coli using DU48-02 as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured for 10 mins by IQF assay
50018296	7	ChEMBL_2269065	Inhibition of full length USP5 (1 to 835 residues) (unknown origin) expressed in Escherichia coli using DU48-03 as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured for 10 mins by IQF assay
50018296	8	ChEMBL_2269067	Binding affinity to biotinylated USP5 zinc finger ubiquitin binding domain (171 to 290 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	9	ChEMBL_2269068	Binding affinity to biotinylated HDAC6 zinc finger ubiquitin binding domain (1109 to 1215 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	10	ChEMBL_2269069	Binding affinity to biotinylated USP3 zinc finger ubiquitin binding domain (1 to 131 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	11	ChEMBL_2269070	Binding affinity to biotinylated USP13 zinc finger ubiquitin binding domain (183 to 307 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	12	ChEMBL_2269071	Binding affinity to biotinylated USP16 zinc finger ubiquitin binding domain (25 to 185 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	13	ChEMBL_2269072	Binding affinity to biotinylated USP33 zinc finger ubiquitin binding domain (29 to 134 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50005086	1	ChEMBL_915457 (CHEMBL3076141)	Inhibition of [3H]IMI binding to Drosophila melanogaster neuronal acetylcholine receptor
50005086	2	ChEMBL_915454 (CHEMBL3076138)	Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta1 nicotinic acetylcholine receptor subunits
50005086	3	ChEMBL_915452 (CHEMBL3076136)	Inhibition of [3H]alpha-BGT binding to alpha7 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells
50005086	4	ChEMBL_915450 (CHEMBL3076134)	Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylcholine receptor subunits
50005086	5	ChEMBL_915451 (CHEMBL3076135)	Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Nicotinic acetylcholine receptor subunits
50005089	1	ChEMBL_916861 (CHEMBL3082109)	Inhibition of Sus scrofa (pig) trehalase using trehaloase as substrate incubated for 15 min prior to substrate addition measured after 1.5 hr by spectrophotometric analysis
50005089	2	ChEMBL_916863 (CHEMBL3082111)	Inhibition of Bombyx mori trehalase
50005090	1	ChEMBL_916865 (CHEMBL3082113)	Inhibition of Sus scrofa (pig) carboxylesterase isolated from liver in using p-nitrophenyl acetate as substrate incubated for 5 min prior to substrate addition measured for 2 min by spectrophotometric analysis
50005090	2	ChEMBL_916866 (CHEMBL3082114)	Inhibition of carboxylesterase in Fischer 344 Rattus norvegicus (rat) liver microsomes using p-nitrophenyl acetate as substrate incubated for 5 min prior to substrate addition measured for 2 min by spectrophotometric analysis
50005090	3	ChEMBL_916867 (CHEMBL3082115)	Inhibition of Trichoplusia ni (cabbage looper) juvenile hormone esterase isolated from fifth-intsar larval stage using [3H]JH 3 as substrate incubated for 10 min prior to substrate addition measured after 15 min by liquid scintillation counting
50005091	1	ChEMBL_918171 (CHEMBL3060413)	Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay
50005091	2	ChEMBL_918170 (CHEMBL3060412)	Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-DU oxidoreductase assay
50005093	1	ChEMBL_916292 (CHEMBL3081150)	Displacement of [3H]imidacloprid from nicotinic acetylcholine receptor in Musca domestica (house fly) head membrane after 1 hr by liquid scintillation counting analysis
50005095	1	ChEMBL_916315 (CHEMBL3081642)	Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillation counting method
50005097	1	ChEMBL_916951 (CHEMBL3082444)	Inhibition of Bacillus thermoproteolyticus thermolysin after 15 min
50005097	2	ChEMBL_916952 (CHEMBL3082946)	Inhibition of Clostridium histolyticum collagenase after 15 min
50005097	3	ChEMBL_916953 (CHEMBL3082947)	Inhibition of Bos taurus (bovine) pancrease carboxypeptidase A after 15 min
50005098	1	ChEMBL_919597 (CHEMBL3083634)	Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH-ubiquinone oxidoreductase activity
50005098	2	ChEMBL_919598 (CHEMBL3083635)	Inhibition of Bos taurus (beef) heart NAD1 assessed as NADH oxidase activity
50005098	3	ChEMBL_919596 (CHEMBL3083633)	Inhibition of Bos taurus (beef) heart NAD1
50005099	1	ChEMBL_921174 (CHEMBL3067003)	Competitive inhibition of CtpA in Spinacia oleracea (spinach) thylakoids using S24 substrate incubated for 30 min by HPLC method based double-reciprocal pot and Dixon plot
50005100	1	ChEMBL_921606 (CHEMBL3059033)	Inhibition of Equus caballus (horse) serum butyrylcholinesterase by Ellman's method
50005100	2	ChEMBL_921605 (CHEMBL3059032)	Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase by Ellman method
50005102	1	ChEMBL_920849 (CHEMBL3080525)	Inhibition of Zea mays (maize) chloroplastic ACCase using acetyl-coA as substrate assessed as inhibition of [14C]NaHCO3 incorporation into malonyl-coA incubated for 10 min prior to substrate addition measured for 20 min by liquid scintillation counting
50005102	2	ChEMBL_920850 (CHEMBL3080526)	Inhibition of Zea mays (maize) cytosolic ACCase using acetyl-coA as substrate assessed as inhibition of [14C]NaHCO3 incorporation into malonyl-coA incubated for 10 min prior to substrate addition measured for 20 min by liquid scintillation counting
50005104	1	ChEMBL_921642 (CHEMBL3059026)	Binding affinity to Penicillium digitatum recombinant N-terminal-His6 tagged CYP51 expressed in Escherichia coli BL21(DE3) by spectrophotometric analysis
50005105	1	ChEMBL_920700 (CHEMBL3066980)	Inhibition of voltage-gated calcium channel Cav-mediated late-sustained current in Periplaneta americana (American cockroach) DUM neurons assessed as measured at holding potential -80 mV depolarized to +40 mV after 10 min by whole cell patch clamp assay in presence of CdCl2
50005105	2	ChEMBL_920701 (CHEMBL3066981)	Inhibition of voltage-gated calcium channel Cav-mediated fast-transient current in Periplaneta americana (American cockroach) DUM neurons assessed as measured at holding potential -80 mV depolarized to +40 mV after 10 min by whole cell patch clamp assay in presence of CdCl2
50005106	1	ChEMBL_921477 (CHEMBL3082883)	Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 2 hr by competitive inhibition assay
50005106	2	ChEMBL_921476 (CHEMBL3082882)	Displacement of [3H]ryanodine from Ca2+-ryanodine receptor in Oryctolagus cuniculus (rabbit) skeletal muscle sarcoplasmic reticulum after 1 hr by competitive inhibition assay in presence of ATP
50005106	3	ChEMBL_921475 (CHEMBL3082881)	Binding affinity to ryanodine receptor in Mus musculus albino Swiss-Webster (mouse) brain
50005108	1	ChEMBL_921512 (CHEMBL3083269)	Inhibition of Thlaspi arvense CPR-fused CYP71B1 expressed in Escherichia coli DH5alpha assessed as conversion of benzo(a)pyrene to 3-hydroxybenzo(a)pyrene
50005109	1	ChEMBL_922089 (CHEMBL3078155)	Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2
50005110	1	ChEMBL_922510 (CHEMBL3076582)	Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferase using gamma-amino butyrate as substrate assessed as decrease in NADPH generation after 30 min by spectrophotometric analysis
50005111	1	ChEMBL_922851 (CHEMBL3076710)	Antagonist activity at AT1 receptor in Rattus norvegicus (rat) adrenal cortex membrane
50005114	1	ChEMBL_923143 (CHEMBL3077324)	Inhibition of Hepatitis C virus NS5B polymerase
50005114	2	ChEMBL_923144 (CHEMBL3077325)	Inhibition of Homo sapiens (human) arylamine N-acetyltransferase 1
50005116	1	ChEMBL_923235 (CHEMBL3076967)	Inhibition of aromatase in Homo sapiens (human) placental microsome assessed as tritiated H2O release from [1-beta-3H] androstenedione substrate preincubated with substrate for 5 min prior to enzyme addition measured after 20 min by beta-scintillation counting analysis
50005119	1	ChEMBL_921933 (CHEMBL3077456)	Inhibition of Pneumocystis carinii DHFR
50005120	1	ChEMBL_922237 (CHEMBL3077166)	Inhibition of autophosphorylation of His6-tagged EGFR cytoplasmic domain (unknown origin) expressed in Sf9 cells by DELFIA time resolved fluorometry
50005121	1	ChEMBL_922265 (CHEMBL3077728)	Inhibition of H1 receptor in Cavia porcellus (guinea pig) ileum assessed as inhibition of histamine-induced contraction
50005122	1	ChEMBL_922477 (CHEMBL3077060)	Antagonist activity at AT1 receptor isolated in Rattus norvegicus (rat) adrenal cortex
50005123	1	ChEMBL_922573 (CHEMBL3077270)	Antagonist activity at Homo sapiens (human) CCR5 receptor
50005125	1	ChEMBL_921897 (CHEMBL3077408)	Binding affinity to IL2 (unknown origin) assessed as inhibition of binding to IL2 receptor alpha
50005125	2	ChEMBL_921903 (CHEMBL3077414)	Competitive inhibition of IL2 receptor alpha (unknown origin)
50005127	1	ChEMBL_922785 (CHEMBL3076029)	Antagonist activity at Homo sapiens (human) CCR5 receptor
50005128	1	ChEMBL_923077 (CHEMBL3076630)	Inhibition of Pseudomonas aeruginosa IMP1 metallo-beta-lactamase
50005130	1	ChEMBL_923079 (CHEMBL3076632)	Inhibition of COX2 (unknown origin)
50005131	1	ChEMBL_923108 (CHEMBL3077240)	Antagonist activity at AT1 receptor in Rattus norvegicus (rat) liver
50005133	1	ChEMBL_923216 (CHEMBL3076890)	Inhibition of Ovis aries (sheep) COX-1 assessed as decrease in PGF2a production from PGH2 upon reduction with stannous chloride using arachidonic acid as substrate pre-incubated with enzyme for 5 min prior to substrate addition by enzyme immunoassay
50005133	2	ChEMBL_923213 (CHEMBL3076887)	Inhibition of Ovis aries (sheep) COX-2 assessed as decrease in PGF2a production from PGH2 upon reduction with stannous chloride using arachidonic acid as substrate pre-incubated with enzyme for 5 min prior to substrate addition by enzyme immunoassay
50005134	1	ChEMBL_923296 (CHEMBL3077129)	Inhibition of Homo sapiens (human) MRP1 expressed in Sf9 cell membranes assessed as decrease in N-ethyl-maleimide-glutathione-induced inorganic phosphate production by spectrophotometric analysis in presence of glutathione
50005135	1	ChEMBL_923491 (CHEMBL3054040)	Inhibition of Canavalia ensiformis (jack bean) urease assessed as inhibition of ammonia production after 15 min by indophenol method
50005136	1	ChEMBL_924308 (CHEMBL3081412)	Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay
50005137	1	ChEMBL_927333 (CHEMBL3069534)	Inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using L-glutamate as substrate assessed as inorganic phosphate production after 20 min by malachite green assay relative to control
50005137	2	ChEMBL_927331 (CHEMBL3069532)	Un-competitive inhibition of Zea mays cv. Jeff (maize) leaf glutamine synthetase using ATP as substrate Lineweaver-Burk plot analysis
50005137	3	ChEMBL_927332 (CHEMBL3069533)	Non-competitive inhibition of Zea mays cv. Jeff( maize) leaf glutamine synthetase using L-glutamate as substrate Lineweaver-Burk plot analysis
50005139	1	ChEMBL_927697 (CHEMBL3073280)	Inhibition of photosynthetic electron transport protein complex in Spinacia oleracea (spinach) leaf thylakoid membranes measured at 30 seconds intervals for 10 min
50005140	1	ChEMBL_923763 (CHEMBL3070741)	Antagonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge measured after 24 hr by luciferase reporter gene assay
50005140	2	ChEMBL_923766 (CHEMBL3070744)	Antagonist activity at ecdysone receptor in Bombyx mori Bm5 cells assessed as tebufenozide-induced effect treated 24 hr before tebufenozide challenge measured after 24 hr by luciferase reporter gene assay
50005140	3	ChEMBL_923770 (CHEMBL3070748)	Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay
50005140	4	ChEMBL_923773 (CHEMBL3070751)	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay
50005141	1	ChEMBL_925676 (CHEMBL3070722)	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay
50005141	2	ChEMBL_925682 (CHEMBL3069808)	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay
50005141	3	ChEMBL_925670 (CHEMBL3070716)	Agonist activity at ecdysone receptor in Drosophila melanogaster Kc cells after 24 hr by luciferase reporter gene assay
50005141	4	ChEMBL_925675 (CHEMBL3070721)	Agonist activity at ecdysone receptor in Drosophila melanogaster B2 cells assessed as reduction in cell density
50005141	5	ChEMBL_925674 (CHEMBL3070720)	Agonist activity at Aedes aegypti ecdysone receptor expressed in mammalian cells by reporter gene assay
50005142	1	ChEMBL_927055 (CHEMBL3073226)	Binding affinity to Nezara viridula EcR
50005142	2	ChEMBL_927359 (CHEMBL3073965)	Binding affinity to Leptinotarsa decemlineata EcR
50005142	3	ChEMBL_927365 (CHEMBL3072565)	Binding affinity to Chilo suppressalis (rice stem borer) EcR
50005142	4	ChEMBL_927369 (CHEMBL3072569)	Displacement of [3H]PonA from recombinant Nezara viridula EcR11
50005142	5	ChEMBL_927368 (CHEMBL3072568)	Displacement of [3H]PonA from recombinant Nezara viridula EcR10
50005142	6	ChEMBL_927053 (CHEMBL3073224)	Binding affinity to Myzus persicae EcR (green peach aphid)
50005142	7	ChEMBL_927054 (CHEMBL3073225)	Binding affinity to Bemisia tabaci (sweet potato whitefly) ecdysone receptor (EcR)
50005142	8	ChEMBL_927056 (CHEMBL3073227)	Binding affinity to Nezara viridula EcR11
50005142	9	ChEMBL_927358 (CHEMBL3073964)	Binding affinity to Locusta migratoria ecdysone receptor (EcR)
50005142	10	ChEMBL_927360 (CHEMBL3072560)	Binding affinity to Drosophila melanogaster EcR
50005142	11	ChEMBL_927363 (CHEMBL3072563)	Binding affinity to Aedes aegypti EcR
50005142	12	ChEMBL_927364 (CHEMBL3072564)	Binding affinity to Plodia interpunctella (Indian meal moth ) EcR
50005142	13	ChEMBL_927366 (CHEMBL3072566)	Binding affinity to Heliothis virescens (tobacco budworm) EcR
50005142	14	ChEMBL_927052 (CHEMBL3073223)	Binding affinity to Spodoptera frugiperda (fall armyworm) EcR
50005142	15	ChEMBL_927357 (CHEMBL3073963)	Binding affinity to Anthonomus grandis ecdysone receptor (EcR)
50005142	16	ChEMBL_927362 (CHEMBL3072562)	Binding affinity to Chironomus tentans EcR
50005142	17	ChEMBL_927361 (CHEMBL3072561)	Binding affinity to Lucilia cuprina EcR
50005142	18	ChEMBL_927057 (CHEMBL3073228)	Binding affinity to Nezara viridula EcR10
50005142	19	ChEMBL_927367 (CHEMBL3072567)	Binding affinity to Choristoneura fumiferana EcR
50005143	1	ChEMBL_928127 (CHEMBL3071467)	Inhibition of photosystem II in Spinacia oleracea (spinach) chloroplasts assessed as reduction of photosynthetic electron transport
50005145	1	ChEMBL_927101 (CHEMBL3075931)	Displacement of [3H]-Tritium-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide from Myzus persicae (green peach aphid) ryanodine receptor
50005145	2	ChEMBL_927102 (CHEMBL3075932)	Displacement of [3H]-Tritium-N-(4-chloro-2-methyl-6-(methylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide from Spodoptera littoralis ryanodine receptor
50005146	1	ChEMBL_923838 (CHEMBL3073771)	Binding affinity to Myzus persicae (green peach aphid) ryanodine receptor by radioligand binding assay
50005150	1	ChEMBL_923872 (CHEMBL3082407)	Antagonist activity at Apis mellifera tyramine receptor TyR1
50005150	2	ChEMBL_924226 (CHEMBL3075970)	Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 20 min
50005151	1	ChEMBL_924656 (CHEMBL3080016)	Binding affinity to Penicillium digitatum CYP51
50005153	1	ChEMBL_925415 (CHEMBL3072453)	Inhibition of Pisum sativum (pea) PDHc by spectrophotometric assay
50005154	1	ChEMBL_925784 (CHEMBL3069077)	Inhibition of Arabidopsis thaliana IspC expressed in Escherichia coli after 40 min by spectrophotometric analysis
50005154	2	ChEMBL_925780 (CHEMBL3069073)	Inhibition of Arabidopsis thaliana IspF expressed in Escherichia coli XL1-Blue after 30 min by spectrophotometric analysis
50005154	3	ChEMBL_925787 (CHEMBL3072080)	Inhibition of Arabidopsis thaliana N-terminal GST-tagged DXS expressed in Escherichia coli BL21 GOLD (DE) using glyceraldehydephosphate and pyruvate as substrate after 90 min by spectrophotometric analysis
50005154	4	ChEMBL_925783 (CHEMBL3069076)	Inhibition of Arabidopsis thaliana IspD
50005154	5	ChEMBL_925781 (CHEMBL3069074)	Inhibition of Solanum lycopersicum (tomato) IspE
50005154	6	ChEMBL_925782 (CHEMBL3069075)	Inhibition of Escherichia coli IspE by spectrophotometric analysis
50005155	1	ChEMBL_932185 (CHEMBL3073103)	Binding affinity to 5-HT2A receptor (unknown origin)
50005155	2	ChEMBL_932180 (CHEMBL3073098)	Displacement of [3H]quinpirole from high affinity agonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane
50005155	3	ChEMBL_932175 (CHEMBL3073886)	Binding affinity to Homo sapiens (human) dopamine D4.4 receptor
50005155	4	ChEMBL_932188 (CHEMBL3073106)	Binding affinity to dopamine D3 receptor (unknown origin)
50005155	5	ChEMBL_932189 (CHEMBL3073107)	Binding affinity to dopamine D1 receptor (unknown origin)
50005155	6	ChEMBL_932187 (CHEMBL3073105)	Binding affinity to dopamine D2 receptor (unknown origin)
50005155	7	ChEMBL_932183 (CHEMBL3073101)	Binding affinity to 5-HT2C receptor (unknown origin)
50005155	8	ChEMBL_932186 (CHEMBL3073104)	Binding affinity to 5-HT1A receptor (unknown origin)
50005155	9	ChEMBL_932181 (CHEMBL3073099)	Inhibition of 5-HT uptake at SERT (unknown origin)
50005155	10	ChEMBL_932176 (CHEMBL3073887)	Binding affinity to Homo sapiens (human) dopamine D3 receptor
50005155	11	ChEMBL_932177 (CHEMBL3073888)	Binding affinity to Homo sapiens (human) dopamine D2S receptor
50005155	12	ChEMBL_932184 (CHEMBL3073102)	Binding affinity to 5-HT3 receptor (unknown origin)
50005155	13	ChEMBL_932178 (CHEMBL3073096)	Displacement of [3H]spiperone from low affinity antagonist binding site of D2 receptor in Rattus norvegicus (rat) striatal membrane
50005156	1	ChEMBL_932376 (CHEMBL3075829)	Inhibition of AchE in Rattus norvegicus (rat) cortex homogenates by Ellman's method
50005157	1	ChEMBL_932678 (CHEMBL3070435)	Inhibition of Saccharomyces cerevisiae chitin synthase
50005157	2	ChEMBL_932677 (CHEMBL3070434)	Inhibition of Candida albicans chitin synthase
50005159	1	ChEMBL_932679 (CHEMBL3070436)	Inhibition of p38alpha MAPK (unknown origin)
50005162	1	ChEMBL_932704 (CHEMBL3072923)	Inhibition of Homo sapiens (human) NaV1.7 expressed in HEK293 cells assessed as decrease in [14C]guanidinium influx after 2 hr by liquid scintillation counting analysis
50005162	2	ChEMBL_932700 (CHEMBL3070021)	Inhibition of Homo sapiens (human) recombinant CYP3A4 by fluorogenic assay
50005164	1	ChEMBL_932863 (CHEMBL3074361)	Inhibition of Hepatitis C virus genotype 1 NS5B polymerases lacking C-terminal 47 amino acid residues expressed in Escherichia coli after 60 min
50005166	1	ChEMBL_933327 (CHEMBL3071779)	Inhibition of Agaricus bisporus (mushroom) tyrosinase assessed as decrease in dopachrome formation using L-DOPA as substrate preincubated with enzyme for 10 min prior to substrate addition measured for 10 min by microplate reader analysis
50005167	1	ChEMBL_931221 (CHEMBL3074976)	Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate
50005167	2	ChEMBL_931216 (CHEMBL3074971)	Binding affinity to Helicobacter pylori Ddl by surface plasmon resonance biosensor technology
50005167	3	ChEMBL_931222 (CHEMBL3074977)	Competitive inhibition of Escherichia coli DdlB using ATP as substrate
50005169	1	ChEMBL_931253 (CHEMBL3071004)	Inhibition of Sus scrofa (pig) pancreatic lipase type 2 using PNPB as substrate pre-incubated with enzyme for 5 min prior to substrate addition measured for 5 min by spectrophotometric analysis
50005170	1	ChEMBL_931327 (CHEMBL3069984)	Binding affinity to acetylcholinesterase (unknown origin)
50018296	14	ChEMBL_2269073	Binding affinity to biotinylated USP39 zinc finger ubiquitin binding domain (84 to 194 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	15	ChEMBL_2269074	Binding affinity to biotinylated USP49 zinc finger ubiquitin binding domain (1 to 115 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	16	ChEMBL_2269075	Binding affinity to biotinylated USP51 zinc finger ubiquitin binding domain (176 to 305 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	17	ChEMBL_2269076	Binding affinity to biotinylated BRAP zinc finger ubiquitin binding domain (304 to 390 residues) (unknown origin) expressed in Escherichia coli incubated for 120 secs by Biolayer Interferometry assay
50018296	18	ChEMBL_2269086	Inhibition of USP2 (unknown origin)
50018296	19	ChEMBL_2269087	Inhibition of USP4 (unknown origin)
50018296	20	ChEMBL_2269088	Inhibition of USP5 (unknown origin)
50018296	21	ChEMBL_2269089	Inhibition of USP7 (unknown origin)
50018296	22	ChEMBL_2269090	Inhibition of USP8 (unknown origin)
50018297	1	ChEMBL_2269123	Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50005170	2	ChEMBL_931328 (CHEMBL3069985)	Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method
50018297	2	ChEMBL_2269124	Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50005172	1	ChEMBL_932071 (CHEMBL3073853)	Binding affinity to Nav 1.2 (unknown origin)
50005173	1	ChEMBL_932743 (CHEMBL3083992)	Agonist activity at PGI2 receptor in Homo sapiens (human) platelets assessed as inhibition of ADP-induced aggregation
50005173	2	ChEMBL_932739 (CHEMBL3083988)	Inhibition of Homo sapiens (human) recombinant aldose reductase using D-glyceraldehyde as substrate incubated for 10 min prior to substrate addition measured for 15 min by spectrophotometric analysis
50005175	1	ChEMBL_933062 (CHEMBL3073671)	Inhibition of Human immunodeficiency virus 1 protease
50005176	1	ChEMBL_933250 (CHEMBL3069174)	Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay
50005176	2	ChEMBL_933251 (CHEMBL3069175)	Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay
50005176	3	ChEMBL_933249 (CHEMBL3069173)	Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay
50005178	1	ChEMBL_931293 (CHEMBL3069796)	Inhibition of full-length Homo sapiens (human) recombinant FAK assessed as remaining ATP content after 4 hr by Kinase-Glo luminescence analysis
50005180	1	ChEMBL_931300 (CHEMBL3069803)	Inhibition of c-Src kinase (unknown origin)
50005181	1	ChEMBL_931811 (CHEMBL3073189)	Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate incubated for 15 min prior to substrate addition measured after 30 min by Ellman's spectrophotometric method
50005182	1	ChEMBL_932090 (CHEMBL3072496)	Inhibition of tissue factor in Homo sapiens (human) THP1-cells using factor 10a chromogenic substrate assessed as inhibition of LPS-iduced procoagulant activity incubated for 1 hr prior to LPS-challenge measured after 5 hr by spectrophotometric analysis
50005184	1	ChEMBL_932132 (CHEMBL3072204)	Inhibition of human recombinant CDK5/p25 using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting
50005184	2	ChEMBL_932133 (CHEMBL3072205)	Inhibition of human recombinant CDK2/cyclin A using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting
50005184	3	ChEMBL_932131 (CHEMBL3072203)	Inhibition of Sus scrofa (pig) casein kinase 1delta/epsilon isolated from brain using RRKHAAIGpSAYSITA and [gamma33P]ATP as substrate after 30 min by scintillation counting
50005184	4	ChEMBL_932130 (CHEMBL3072656)	Inhibition of Sus scrofa (pig) glycogen synthase kinase 3alpha/beta isolated from brain using YRRAAVPPSPSLSRHSSPHQpSEDEEE and [gamma33P]ATP as substrate after 30 min by liquid scintillation counting
50005184	5	ChEMBL_932129 (CHEMBL3072655)	Inhibition of Homo sapiens (human) recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ and [gamma33P]ATP as substrate after 30 min by scintillation counting
50005184	6	ChEMBL_932134 (CHEMBL3072206)	Inhibition of Asteroidea (starfish) Cyclin-dependent kinase 1/cyclin B isolated from oocyte using histone H1 and [gamma33P]ATP as substrate after 30 min by scintillation counting
50005184	7	ChEMBL_932128 (CHEMBL3072654)	Inhibition of CDK5 (unknown origin)
50005186	1	ChEMBL_932510 (CHEMBL3074565)	Inhibition of influenza A virus (A/duck/China/QJ/01(H5N1)) neuraminidase using 4-MU-NANA as substrate preincubated with enzyme for 5 min prior to substrate addition measured after 30-60 min by fluorescence analysis
50005186	2	ChEMBL_932511 (CHEMBL3074566)	Inhibition of influenza A virus (A/chicken/Shandong/LY/2008(H9N2)) neuraminidase using 4-MU-NANA as substrate preincubated with enzyme for 5 min prior to substrate addition measured after 30-60 min by fluorescence analysis
50005186	3	ChEMBL_932513 (CHEMBL3074568)	inhibition of Influenza A virus H3N2 neuraminidase
50005186	4	ChEMBL_932514 (CHEMBL3074569)	inhibition of influenza A virus H9N2 neuraminidase
50005188	1	ChEMBL_932792 (CHEMBL3072945)	Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1
50005189	1	ChEMBL_932802 (CHEMBL3072690)	Inhibition of Homo sapiens (human) PTP1B expressed in Escherichia coli using PNPP as substrate
50005190	1	ChEMBL_932803 (CHEMBL3072691)	Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometric analysis
50005190	2	ChEMBL_932805 (CHEMBL3072693)	Inhibition of wild type C-South African Human immunodeficiency virus 1 protease
50005190	3	ChEMBL_932804 (CHEMBL3072692)	Inhibition of Human immunodeficiency virus 1 protease
50005191	1	ChEMBL_932820 (CHEMBL3071785)	Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay
50005191	2	ChEMBL_932821 (CHEMBL3071786)	Inhibition of BACE1 (unknown origin)
50005191	3	ChEMBL_932822 (CHEMBL3071787)	Inhibition of BuChE (unknown origin)
50005191	4	ChEMBL_932823 (CHEMBL3071788)	Inhibition of AChE (unknown origin)
50005192	1	ChEMBL_933136 (CHEMBL3074574)	Agonist activity at Homo sapiens (human) LXRalpha expressed in HepG2 cells assessed as transactivation of CYP7A1 gene expression after 48 hr by luciferase reporter gene assay
50005193	1	ChEMBL_933266 (CHEMBL3076264)	Inhibition of recombinant CYP1A1 (unknown origin) using 7-ethoxyresorufin as substrate by EROD assay
50005195	1	ChEMBL_933307 (CHEMBL3075343)	Inhibition of Rattus norvegicus (rat) lens aldose reductase
50005195	2	ChEMBL_933306 (CHEMBL3075342)	Inhibition of Homo sapiens (human) aldose reductase
50005196	1	ChEMBL_931022 (CHEMBL3070470)	Binding affinity to Homo sapiens (human) H3 receptor
50005196	2	ChEMBL_931021 (CHEMBL3070469)	Binding affinity to Rattus norvegicus (rat) H3 receptor
50005197	1	ChEMBL_931029 (CHEMBL3070477)	Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method
50005198	1	ChEMBL_931044 (CHEMBL3069221)	Non-competitive inhibition of trypsin (unknown origin) using BApNA as substrate by Lineweaver-Burk/Dixon plot analysis
50005198	2	ChEMBL_931045 (CHEMBL3069621)	Inhibition of trypsin (unknown origin) using BApNA as substrate incubated for 15 min prior to substrate addition measured after 30 min by UV/VIS spectrophotometric analysis
50005199	1	ChEMBL_931186 (CHEMBL3068876)	Inhibition of Ovis aries (sheep) cyclooxygenase-1 using arachidonic acid as substrate by chemiluminescent assay
50005199	2	ChEMBL_931185 (CHEMBL3068875)	Inhibition of Ovis aries (sheep) cyclooxygenase-2 using arachidonic acid as substrate by chemiluminescent assay
50005200	1	ChEMBL_929744 (CHEMBL3072144)	Inhibition of cathepsin D (unknown origin) using hemoglobin as substrate after 30 min by spectrophotometric analysis
50005201	1	ChEMBL_929848 (CHEMBL3070920)	inhibition of Homo sapiens (human) recombinant DUSP26 catalytic domain (61 to 211 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) assessed as hydrolysis of 3-ortho-methylfluorescein phosphate after 30 min by spectrofluorometric analysis
50005201	2	ChEMBL_929798 (CHEMBL3068773)	Inhibition of DUSP26 (unknown origin)-mediated p38 dephosphorylation
50005203	1	ChEMBL_930203 (CHEMBL3070212)	Displacement of [3H]IMPY from beta amyloid (unknown origin) isolated from alzheimer's patient brain homogenates after 2 hr by gamma counting analysis
50005208	1	ChEMBL_930212 (CHEMBL3070221)	Antagonist activity at CB1 receptor (unknown origin)
50005209	1	ChEMBL_930630 (CHEMBL3069689)	Inhibition of Homo sapiens (human) endothelin converting enzyme-1
50005211	1	ChEMBL_930733 (CHEMBL3070227)	Inhibition of telomerase (unknown origin)
50005215	1	ChEMBL_929372 (CHEMBL3074800)	Inhibition of dipeptidyl peptidase 4 (unknown origin)
50005216	1	ChEMBL_929375 (CHEMBL3074803)	Inhibition of PDE4 in Homo sapiens (human) U937 cells
50005217	1	ChEMBL_929729 (CHEMBL3073038)	Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis
50005218	1	ChEMBL_929815 (CHEMBL3075361)	Inhibition of BACE (unknown origin)
50005219	1	ChEMBL_929935 (CHEMBL3073918)	Inhibition of Electrophorus electricus (electric eel) AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method
50005219	2	ChEMBL_929934 (CHEMBL3073917)	Inhibition of BCHE in Equus caballus (horse) serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 15 min prior to substrate addition measured every 45 s by colorimetric Ellman's method
50005220	1	ChEMBL_930016 (CHEMBL3074820)	Inhibition of DNA topoisomerase 2 (unknown origin)
50005221	1	ChEMBL_930033 (CHEMBL3074514)	Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (RBL) cells
50005222	1	ChEMBL_930118 (CHEMBL3068967)	Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis
50005222	2	ChEMBL_930119 (CHEMBL3068968)	Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated with enzyme for 5 min prior to substrate addition measured after 7 min by MBTH-DMAB method
50005223	1	ChEMBL_930438 (CHEMBL3074004)	Inhibition of snake venom phosphodiesterase using bis-(para-nitrophenyl)phosphate as substrate after 30 min by spectrophotometric analysis
50005224	1	ChEMBL_930651 (CHEMBL3068865)	Binding affinity to Grb2-SH2 (unknown origin) by surface plasmon resonance analysis
50005226	1	ChEMBL_930673 (CHEMBL3074521)	Displacement of [125I]ET-1 from ETB receptor in Sprague-Dawley Rattus norvegicus (rat) myocardium after 1 hr
50005226	2	ChEMBL_930675 (CHEMBL3074523)	Antagonist activity at Homo sapiens (human) ETA receptor
50005226	3	ChEMBL_930674 (CHEMBL3074522)	Displacement of [125I]ET-1 from ETA receptor in Sprague-Dawley Rattus norvegicus (rat) myocardium after 1 hr
50005226	4	ChEMBL_930667 (CHEMBL3075855)	Antagonist activity at ETA receptor (unknown origin)
50005227	1	ChEMBL_930777 (CHEMBL3070866)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity using [32P]5'end-labeled linear 21 mer as substrate incubated for 30 min prior to substrate addition measured after 1 hr
50005228	1	ChEMBL_930889 (CHEMBL3075222)	Inhibition of Aurora2 (unknown origin)
50005228	2	ChEMBL_930885 (CHEMBL3075218)	Inhibition of CDK5 (unknown origin)
50005228	3	ChEMBL_930888 (CHEMBL3075221)	Inhibition of ERK2 (unknown origin)
50005228	4	ChEMBL_930892 (CHEMBL3075225)	Inhibition of GSK3 (unknown origin)
50005228	5	ChEMBL_930887 (CHEMBL3075220)	Inhibition of SRC (unknown origin)
50005228	6	ChEMBL_930890 (CHEMBL3075223)	Inhibition of GSK3beta (unknown origin)
50005228	7	ChEMBL_930886 (CHEMBL3075219)	Inhibition of JNK (unknown origin)
50005230	1	ChEMBL_930899 (CHEMBL3074302)	Inhibition of PI3Kgamma (unknown origin) using [33gammaP]ATP and phosphotidylinositol as substrate by scintillation proximity assay
50005231	1	ChEMBL_929312 (CHEMBL3075793)	Inhibition of CDK2/cyclinA (unknown origin)
50005232	1	ChEMBL_937638 (CHEMBL2321330)	Inhibition of SARS coronavirus 3C-like protease pretreated for 5 mins before substrate addition by fluorimetry
50005233	1	ChEMBL_934041 (CHEMBL2318348)	Inhibition of human recombinant MAOB
50005233	2	ChEMBL_934040 (CHEMBL2318347)	Inhibition of human recombinant MAOA
50005235	1	ChEMBL_934042 (CHEMBL2318349)	Inhibition of human recombinant FTase activity using dansyl-GCVLS-peptide
50005236	1	ChEMBL_935919 (CHEMBL2318217)	Inhibition of EGFR (unknown origin) by Z-LYTE assay
50005236	2	ChEMBL_935920 (CHEMBL2318218)	Inhibition of HER2 (unknown origin) by Z-LYTE assay
50005241	1	ChEMBL_934332 (CHEMBL2320318)	Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay
50005242	1	ChEMBL_934758 (CHEMBL2318645)	Inhibition of HIV1 integrase strand transfer activity
50005243	1	ChEMBL_934786 (CHEMBL2318920)	Inhibition of P-glycoprotein in human doxorubicin-resistant K562 cells assessed as half maximal increase of pirarubicin accumulation by spectrofluorometric analysis
50005244	1	ChEMBL_935397 (CHEMBL2318946)	Displacement of [3H]clonidine from alpha2-adrenergic receptor in rat cerebral cortex by liquid scintillation counting
50005244	2	ChEMBL_935398 (CHEMBL2318947)	Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex by liquid scintillation counting
50005245	1	ChEMBL_933737 (CHEMBL2320839)	Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells transfected with human APPSOW and APPLON after 5 hrs by sandwich immunoassay
50005245	2	ChEMBL_933738 (CHEMBL2320840)	Inhibition of gamma secretase-mediated amyloid beta40 production in HEK293 cells transfected with human APPSOW and APPLON after 5 hrs by sandwich immunoassay
50005245	3	ChEMBL_933739 (CHEMBL2320841)	Inhibition of gamma secretase-mediated amyloid beta40 production in HEK293 cell membranes transfected with human APPSOW and APPLON mutant after 5 hrs by sandwich immunoassay
50005245	4	ChEMBL_933730 (CHEMBL2320832)	Inhibition of gamma secretase-mediated notch cleavage in HEK293 cells expressing human notch protein with truncated extracellular EGF repeat domain by sandwich immunoassay
50005246	1	ChEMBL_933768 (CHEMBL2321104)	Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-42 production
50005246	2	ChEMBL_933769 (CHEMBL2321105)	Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-40 production
50005246	3	ChEMBL_933770 (CHEMBL2321106)	Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cell membrane co-expressing Awe-Lon mutant assessed as reduction of amyloid beta-40 production
50005250	1	ChEMBL_933815 (CHEMBL2321369)	Inhibition of human His-tagged p53 (1 to 132 amino acid residues)/GST-tagged MDM2 L33E mutant (25 to 108 amino acid residues) interaction by HTRF assay
50005251	1	ChEMBL_937805 (CHEMBL2318302)	Inhibition of HIV-1 protease R8Q mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005251	2	ChEMBL_937802 (CHEMBL2318056)	Inhibition of HIV-1 protease I54M mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005251	3	ChEMBL_937804 (CHEMBL2318301)	Inhibition of HIV-1 protease D30N mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005251	4	ChEMBL_937803 (CHEMBL2318057)	Inhibition of HIV-1 protease I50V mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005251	5	ChEMBL_937811 (CHEMBL2318308)	Inhibition of HIV-1 protease V82A mutant using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005251	6	ChEMBL_937806 (CHEMBL2318303)	Inhibition of HIV-1 wildtype protease using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorescence assay
50005254	1	ChEMBL_937877 (CHEMBL2317017)	Inhibition of wild type HIV1 integrase 3'-processing activity using 5'-end 32P-labeled linear oligonucleotide as substrate preincubated for 30 mins
50005254	2	ChEMBL_937876 (CHEMBL2317016)	Inhibition of wild type HIV1 integrase strand transfer activity using 5'-end 32P-labeled linear oligonucleotide as substrate preincubated for 30 mins
50005256	1	ChEMBL_935174 (CHEMBL2317336)	Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotometric analysis
50005256	2	ChEMBL_935175 (CHEMBL2317337)	Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotometric analysis
50005256	3	ChEMBL_935176 (CHEMBL2317338)	Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotometric analysis
50005256	4	ChEMBL_934914 (CHEMBL2319800)	Inhibition of Influenza A virus Mississippi/1/85(H3N2) neuraminidase
50005256	5	ChEMBL_934912 (CHEMBL2319798)	Inhibition of Influenza A virus Brazilll/78(H1N1) neuraminidase
50005256	6	ChEMBL_934913 (CHEMBL2319799)	Inhibition of Influenza A virus H5N1 neuraminidase
50005257	1	ChEMBL_939936 (CHEMBL2327318)	Inhibition of Hsp90 (unknown origin)
50005258	1	ChEMBL_940318 (CHEMBL2328820)	Inhibition of PI3Kbeta (unknown origin)
50005258	2	ChEMBL_940317 (CHEMBL2328819)	Inhibition of PI3Kalpha (unknown origin)
50005258	3	ChEMBL_940315 (CHEMBL2328817)	Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as cell growth inhibition
50005258	4	ChEMBL_940319 (CHEMBL2328821)	Inhibition of PI3Kdelta (unknown origin)
50005258	5	ChEMBL_940316 (CHEMBL2328818)	Inhibition of PI3Kgamma (unknown origin)
50005258	6	ChEMBL_940313 (CHEMBL2328815)	Inhibition of PI3Kbeta human in PTEN wild type HCC1954 cells assessed as cell growth inhibition
50005258	7	ChEMBL_940306 (CHEMBL2328808)	Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as reduction of AKT phosphorylation at Ser 473 in presence of serum
50005258	8	ChEMBL_940312 (CHEMBL2328814)	Inhibition of PI3Kbeta human in PTEN wild type HCC1954 cells assessed as reduction of AKT phosphorylation at Ser 473
50005258	9	ChEMBL_940305 (CHEMBL2328807)	Inhibition of PI3Kbeta human in PTEN-null MDA-MB-468 cells assessed as reduction of AKT phosphorylation at Ser 473 in absence of serum
50005259	1	ChEMBL_938101 (CHEMBL2328061)	Inhibition of human beta-casein/Tcf4 interaction after 1 hr by fluorescence polarization assay
50005259	2	ChEMBL_938104 (CHEMBL2328064)	Inhibition of human beta-casein/Tcf4 interaction after 1 hr by alphascreen assay
50005261	1	ChEMBL_938263 (CHEMBL2328686)	Inhibition of Mycobacterium tuberculosis InhA S94A mutant assessed as NADH oxidation using 2-trans-dodecenoyl-coA as substrate measured every min for 30 mins by spectrophotometric analysis
50005262	1	ChEMBL_938986 (CHEMBL2328568)	Inhibition of NaV1.7 ion channel (unknown origin)
50005263	1	ChEMBL_939270 (CHEMBL2327067)	Agonist activity at RXR (unknown origin) in presence of RAR agonist Am80
50005264	1	ChEMBL_939169 (CHEMBL2329241)	Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay
50005264	2	ChEMBL_939168 (CHEMBL2329240)	Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR
50005265	1	ChEMBL_939330 (CHEMBL2327295)	Inhibition of human recombinant CDK4/Cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly tracer peptide as substrate after 45 mins by fluorescent polarization binding assay
50005265	2	ChEMBL_939331 (CHEMBL2327296)	Inhibition of human recombinant CDK2/Cyclin A2 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly tracer peptide as substrate after 45 mins by fluorescent polarization binding assay
50005266	1	ChEMBL_939437 (CHEMBL2327820)	Inhibition of wild type HIV-1 reverse transcriptase p66/p51 NNRTI adjacent binding site after 30 mins by fluorescence assay
50005266	2	ChEMBL_939432 (CHEMBL2327815)	Inhibition of wild type HIV-1 reverse transcriptase 507 site incubated after 30 mins by fluorescence assay
50005266	3	ChEMBL_939435 (CHEMBL2327818)	Inhibition of wild type HIV-1 reverse transcriptase incoming nucleotide binding site after 30 mins by fluorescence assay
50005266	4	ChEMBL_939436 (CHEMBL2327819)	Inhibition of wild type HIV-1 reverse transcriptase knuckles site after 30 mins by fluorescence assay
50005270	1	ChEMBL_939537 (CHEMBL2328308)	Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting
50005270	2	ChEMBL_939438 (CHEMBL2327821)	Binding affinity to amyloid beta aggregate (unknown origin) by centrifugation method
50005271	1	ChEMBL_938547 (CHEMBL2327386)	Inhibition of CMG2 (40 to 217) C175A and R40C double mutant (unknown origin) interaction to full length PA E733C mutant expressed in Escherichia coli by FRET assay
50005272	1	ChEMBL_941354 (CHEMBL2330056)	Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50005272	2	ChEMBL_941319 (CHEMBL2330021)	Antagonist activity at CCR5 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	3	ChEMBL_941320 (CHEMBL2330022)	Antagonist activity at CXCR3 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	4	ChEMBL_941321 (CHEMBL2330023)	Antagonist activity at CXCR2 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	5	ChEMBL_941323 (CHEMBL2330025)	Antagonist activity at CXCR1 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	6	ChEMBL_941326 (CHEMBL2330028)	Antagonist activity at CCR2 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	7	ChEMBL_941316 (CHEMBL2329940)	Antagonist activity at OATP1B1 (unknown origin) by [35S]GTPgammaS binding assay
50005272	8	ChEMBL_941324 (CHEMBL2330026)	Antagonist activity at CCR8 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	9	ChEMBL_941318 (CHEMBL2329942)	Antagonist activity at CXCR4 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	10	ChEMBL_941325 (CHEMBL2330027)	Antagonist activity at CCR1 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005272	11	ChEMBL_941322 (CHEMBL2330024)	Antagonist activity at CCR10 receptor (unknown origin) by [35S]GTPgammaS binding assay
50005273	1	ChEMBL_940681 (CHEMBL2327747)	Inhibition of HIV-1 integrase strand transfer activity
50005273	2	ChEMBL_940682 (CHEMBL2327748)	Inhibition of HIV-1 integrase 3'-processing activity
50005275	1	ChEMBL_941013 (CHEMBL2330739)	Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50005275	2	ChEMBL_941014 (CHEMBL2330740)	Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102Q double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50005275	3	ChEMBL_941015 (CHEMBL2330741)	Binding affinity to Enterobacteria phage T4 lysozyme L99A mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50005275	4	ChEMBL_941016 (CHEMBL2330742)	Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102H double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry
50005276	1	ChEMBL_947375 (CHEMBL2344608)	Inhibition of mTORC1 in human PC3 cells assessed as reduction in phosphorylated 4E-BP1Thr37/46 level after 90 mins by immunofluorescence assay
50005277	1	ChEMBL_947897 (CHEMBL2343640)	Inhibition of HIV-1 reverse transcriptase assessed as decrease in incorporation of [3H]TTP into polyA template
50005278	1	ChEMBL_943530 (CHEMBL2342911)	Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of superoxide radical generation by spectrophotometric analysis
50005278	2	ChEMBL_943532 (CHEMBL2342913)	Agonist activity at FPR1/FPR2 receptor in human neutrophils assessed as induction of chemotaxis after 60 mins
50005279	1	ChEMBL_945576 (CHEMBL2344503)	Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB assessed as reduction of enzyme supercoiling activity using relaxed pBR322 DNA substrate incubated for 1 hr at 37 degC by ethidium bromide based gel electrophoresis
50005280	1	ChEMBL_946559 (CHEMBL2341548)	Inhibition of mushroom tyrosinase using L-DOPA substrate incubated for 10 mins
50005281	1	ChEMBL_946993 (CHEMBL2339642)	Inhibition of HIV1 capsid
50005281	2	ChEMBL_946994 (CHEMBL2339643)	Binding affinity to HIV1 capsid
50005282	1	ChEMBL_943592 (CHEMBL2343859)	Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracellular cytoplasmic domain secretion by ELISA
50005282	2	ChEMBL_943594 (CHEMBL2343861)	Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of IAbeta40 secretion by ELISA
50005282	3	ChEMBL_943597 (CHEMBL2343864)	Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by ELISA
50005282	4	ChEMBL_943598 (CHEMBL2343865)	Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by ELISA
50005282	5	ChEMBL_943593 (CHEMBL2343860)	Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of Abeta42 secretion by ELISA
50005283	1	ChEMBL_943622 (CHEMBL2343889)	Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
50005283	2	ChEMBL_943620 (CHEMBL2343887)	Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane
50005283	3	ChEMBL_943623 (CHEMBL2343890)	Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake
50005283	4	ChEMBL_943618 (CHEMBL2343885)	Inhibition of human recombinant CYP2D6 by luminescence assay
50005284	1	ChEMBL_946139 (CHEMBL2343541)	Antagonist activity at rat muscarinic M2 receptor isolated from brain
50005284	2	ChEMBL_946140 (CHEMBL2343542)	Antagonist activity at rat muscarinic M1 receptor isolated from brain
50005284	3	ChEMBL_946142 (CHEMBL2343544)	Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of nicotine-induced calcium influx incubated for 30 mins prior to nicotine-induction by calcium-4 based FLIPR analysis
50005284	4	ChEMBL_946146 (CHEMBL2343548)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting
50005284	5	ChEMBL_946147 (CHEMBL2343549)	Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibition of calcium influx by calcium-4 based FLIPR analysis
50005284	6	ChEMBL_946149 (CHEMBL2343551)	Agonist activity at human alpha3beta4 nAChR expressed in CHO cells assessed as calcium influx by calcium-4 based FLIPR analysis
50005285	1	ChEMBL_949008 (CHEMBL2342760)	Non-competitive inhibition of wild type HIV1 reverse transcriptase p66/p51 after 30 mins by liquid scintillation counting
50005287	1	ChEMBL_948172 (CHEMBL2338858)	Inhibition of BRAF V600E mutant in human WM266.4 cells assessed as inhibition of ERK phosphorylation after 6 hrs by DELFIA assay
50005287	2	ChEMBL_948174 (CHEMBL2339267)	Inhibition of human recombinant N-terminal His-tagged BRAF V600E mutant expressed in Sf9 cells using GST-tagged MEK1 and ATP as substrate incubated for 10 mins prior to ATP addition measured after 45 mins by DELFIA assay
50005288	1	ChEMBL_948640 (CHEMBL2345156)	Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
50005290	1	ChEMBL_942873 (CHEMBL2342381)	Inhibition of mushroom tyrosinase assessed as reduction in diphenolase activity using L-DOPA substrate pre-incubated for 20 mins at 30 degC
50005292	1	ChEMBL_949596 (CHEMBL2342312)	Inhibition of amyloid-beta40 (unknown origin) aggregation by congo red spectral-shift assay
50005294	1	ChEMBL_942901 (CHEMBL2342850)	Inhibition of inactivated Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase using MUNANA as substrate incubated for 60 mins prior to substrate addition measured after 45 mins by fluorescence assay
50005296	1	ChEMBL_942984 (CHEMBL2343820)	Inhibition of CYP3A4/5 in human liver microsomes assessed as reduction in testosterone-beta-hydroxylation
50005297	1	ChEMBL_944926 (CHEMBL2343965)	Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay
50005299	1	ChEMBL_946838 (CHEMBL2345503)	Inhibition of HIV1 reverse transcriptase after 1 hr by colorimetric assay
50005300	1	ChEMBL_947863 (CHEMBL2343139)	Inhibition of rat alpha9/alpha10 nAChR expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced currents after 300 secs by two-electrode voltage clamp assay
50005301	1	ChEMBL_953006 (CHEMBL2352544)	Inhibition of diphenolase activity of mushroom tyrosinase assessed as decrease in L-DOPA chrome formation using L-DOPA as substrate preincubated with enzyme for 10 mins prior to substrate addition measured for 10 mins by spectrophotometric assay
50005302	1	ChEMBL_950883 (CHEMBL2349707)	Inhibition of HIV1 reverse transcriptase
50005302	2	ChEMBL_950884 (CHEMBL2349708)	Inhibition of HIV1 protease
50005303	1	ChEMBL_950904 (CHEMBL2349977)	Inhibition of HIV 1 reverse transcriptase assessed as incorporation of biotin-dUTP into poly rA.dT by ELISA
50005304	1	ChEMBL_951837 (CHEMBL2353250)	Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1,10-phenanthroline-induced HIF1 activation incubated for 30 mins prior to 1,10-phenanthroline-challenge measured after 16 hrs by luciferase reporter assay
50005304	2	ChEMBL_951838 (CHEMBL2353251)	Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of 1% O2-induced HIF1 activation incubated for 30 mins prior to 1% O2-challenge measured after 16 hrs by luciferase reporter assay
50005305	1	ChEMBL_954153 (CHEMBL2351426)	Inhibition of electric eel AChE by time-dependent inhibition assay
50005305	2	ChEMBL_954155 (CHEMBL2351670)	Inhibition of electric eel AChE by concentration-dependent inhibition assay
50005305	3	ChEMBL_954151 (CHEMBL2351424)	Inhibition of rat brain AChE by time-dependent inhibition assay
50005305	4	ChEMBL_954152 (CHEMBL2351425)	Inhibition of rat brain AChE by concentration-dependent inhibition assay
50005305	5	ChEMBL_954154 (CHEMBL2351669)	Inhibition of human recombinant AChE by concentration-dependent inhibition assay
50005305	6	ChEMBL_954150 (CHEMBL2351423)	Inhibition of human recombinant AChE by time-dependent inhibition assay
50005306	1	ChEMBL_950112 (CHEMBL2353163)	Inhibition of PDE7 catalytic domain (unknown origin) using [3H]-cAMP as substrate after 1 hr by scintillation proximity assay
50005311	1	ChEMBL_950641 (CHEMBL2352644)	Displacement of [3H]MK-801 from NMDA receptor complex (unknown origin) after 40 mins
50005312	1	ChEMBL_951600 (CHEMBL2351275)	Inhibition of rat brain acetylcholinesterase
50005313	1	ChEMBL_951962 (CHEMBL2353816)	Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase assay
50005314	1	ChEMBL_953195 (CHEMBL2353870)	Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HIV-1 reverse transcriptase p66/p51 assessed as inhibition of dGTP incorporation after 15 mins by PAGE
50005314	2	ChEMBL_953196 (CHEMBL2353871)	Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HIV-1 reverse transcriptase p66/p51 assessed as inhibition of dTTP incorporation after 15 mins by PAGE
50005315	1	ChEMBL_956359 (CHEMBL2379632)	Inhibition of AChE in rat cerebral cortex homogenates using acetylthiocholine iodide as substrate after 8 mins by Ellman's spectrophotometric method
50005315	2	ChEMBL_956356 (CHEMBL2379629)	Inhibition of AChE (unknown origin)
50005315	3	ChEMBL_956358 (CHEMBL2379631)	Inhibition of rat serum BuChE using S-butyrylthiocholine iodide as substrate after 8 mins by Ellman's spectrophotometric method
50005316	1	ChEMBL_956546 (CHEMBL2379959)	Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay
50005317	1	ChEMBL_956866 (CHEMBL2378113)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins followed by substrate addition measured over 15 mins by fluorimetric analysis
50005317	2	ChEMBL_956867 (CHEMBL2378114)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins followed by substrate addition measured over 15 mins by fluorimetric analysis
50005318	1	ChEMBL_957539 (CHEMBL2378342)	Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates
50005319	1	ChEMBL_957575 (CHEMBL2378417)	Agonist activity at human PPAR-gamma1 LBD (176 to 477) transfected in african green monkey CV1 cells after 40 hrs by beta galactosidase-based luciferase reporter gene assay
50005320	1	ChEMBL_957666 (CHEMBL2378594)	Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20 mins prior to substrate addition measured after 20 mins by spectrophotometric analysis
50005323	1	ChEMBL_955714 (CHEMBL2379025)	Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay
50005323	2	ChEMBL_955713 (CHEMBL2379023)	Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human HepG2 cells by transactivation assay
50005323	3	ChEMBL_955716 (CHEMBL2379022)	Agonist activity at GAL4-fused PPARalpha A454M mutant (unknown origin) expressed in human HepG2 cells by transactivation assay
50005324	1	ChEMBL_956036 (CHEMBL2380131)	Inhibition of mouse brain MAO-B
50005324	2	ChEMBL_956037 (CHEMBL2380132)	Inhibition of mouse brain MAO-A
50005324	3	ChEMBL_956041 (CHEMBL2380136)	Inhibition of MAO-A (unknown origin)
50005324	4	ChEMBL_956040 (CHEMBL2380135)	Inhibition of MAO-B (unknown origin)
50005325	1	ChEMBL_956568 (CHEMBL2380018)	Antagonist activity at human adenosine A1 receptor expressed in CHOK1 cells assessed as inhibition of R-PIA/forskolin-induced cAMP accumulation incubated for 15 mins prior to R-PIA/forskolin challenge measured after 5.5 to 6 hrs by beta-galactosidase reporter gene assay
50005325	2	ChEMBL_956569 (CHEMBL2380019)	Antagonist activity at human adenosine A2a receptor expressed in CHOK1 cells assessed as inhibition of NECA/forskolin-induced cAMP accumulation incubated for 15 mins prior to NECA/forskolin challenge measured after 5.5 to 6 hrs by beta-galactosidase reporter gene assay
50005326	1	ChEMBL_956584 (CHEMBL2380034)	Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
50005326	2	ChEMBL_956590 (CHEMBL2380040)	Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor after 30 mins by scintillation counting analysis
50005326	3	ChEMBL_956583 (CHEMBL2380033)	Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
50005326	4	ChEMBL_956585 (CHEMBL2380035)	Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
50005326	5	ChEMBL_956582 (CHEMBL2380032)	Displacement of [3H] N-methylscopolamine from human muscarinic M4 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis
50005327	1	ChEMBL_956925 (CHEMBL2378242)	Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay
50005327	2	ChEMBL_956924 (CHEMBL2378241)	Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay
50005328	1	ChEMBL_957450 (CHEMBL2378146)	Inhibition of human liver Cathepsin B using Z-Arg-Arg-aminomethylcoumarin as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorometric analysis
50005328	2	ChEMBL_957451 (CHEMBL2378147)	Inhibition of human liver Cathepsin L using Z-Phe-Arg-aminomethylcoumarin as substrate incubated for 5 mins prior to substrate addition measured for 5 mins by fluorometric analysis
50005331	1	ChEMBL_957748 (CHEMBL2378746)	Inhibition of calpain 1 in human erythrocytes using Suc-LLVY-AMC as substrate by fluorescence assay
50005332	1	ChEMBL_956072 (CHEMBL2379097)	Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol method
50005332	2	ChEMBL_956070 (CHEMBL2379095)	Competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-Burk/Dixon plot analysis
50005333	1	ChEMBL_956120 (CHEMBL2379184)	Inhibition of human recombinant VEGFR2
50005334	1	ChEMBL_956132 (CHEMBL2379196)	Inhibition of MEK1 (unknown origin)
50005335	1	ChEMBL_957350 (CHEMBL2377973)	Binding affinity to human recombinant MIF expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetric assay
50005336	1	ChEMBL_957363 (CHEMBL2378028)	Agonist activity at human delta opioid receptor transfected in CHOK1 cells after 60 mins by [35S]GTPgammaS binding assay
50005336	2	ChEMBL_957479 (CHEMBL2378217)	Displacement of [3H]-enkephalin from human delta opioid receptor transfected in CHOK1 cells after 60 mins
50005337	1	ChEMBL_957491 (CHEMBL2378229)	Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins
50005337	2	ChEMBL_957492 (CHEMBL2378230)	Displacement of [3H]histamine displacement from human histamine H4 receptor expressed in SK-NM-C cells after 60 mins
50005339	1	ChEMBL_960201 (CHEMBL2382573)	Inhibition of human BACE1 (1-460) using CEVNLDAEFK as substrate preincubated for 10 mins prior to substrate addition measured after 15 mins by TR-FRET assay
50005339	2	ChEMBL_960200 (CHEMBL2382572)	Inhibition of human ERG expressed in CHO cells
50005339	3	ChEMBL_960199 (CHEMBL2382571)	Inhibition of BACE1-mediated soluble APPbeta release in human SH-SY5Y cells after 16 hrs
50005340	1	ChEMBL_959229 (CHEMBL2383584)	Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stannous chloride
50005340	2	ChEMBL_959230 (CHEMBL2383585)	Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stannous chloride
50005341	1	ChEMBL_959467 (CHEMBL2384505)	Inhibition of human recombinant CYP3A4 using BFC as substrate by fluorimetric assay
50005342	1	ChEMBL_959848 (CHEMBL2383512)	Inhibition of AChE (unknown origin) by Ellman method
50005342	2	ChEMBL_959702 (CHEMBL2383022)	Inhibition of amyloid beta (1 to 42) (unknown origin) oligomer dissociation after 16 to 18 hrs by ELISA
50005342	3	ChEMBL_959704 (CHEMBL2383024)	Inhibition of amyloid beta ((1 to 42) (unknown origin) oligomer assembly after 30 mins by biotinyl-streptavidin assay
50005342	4	ChEMBL_959847 (CHEMBL2383511)	Inhibition of BuChE (unknown origin) by Ellman method
50005344	1	ChEMBL_959895 (CHEMBL2383621)	Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by HTRF assay
50005345	1	ChEMBL_960271 (CHEMBL2382764)	Inhibition of human VEGFR2 kinase domain expressed in SF9 cells by TR-FRET assay
50005345	2	ChEMBL_960272 (CHEMBL2382765)	Inhibition of human recombinant VEGFR2 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 to 60 mins by fluorescence assay
50005346	1	ChEMBL_960282 (CHEMBL2382888)	Inhibition of Keap1-Nrf2 interaction in human U2OS cells assessed as Nrf2 nuclear translocation by beta-lactamase reporter assay
50005346	2	ChEMBL_960283 (CHEMBL2382889)	Inhibition of Keap1-Nrf2 interaction in human HepG2 cells expressing ARE-bla assessed as activation of antioxidant response element by beta-lactamase reporter assay
50005346	3	ChEMBL_960284 (CHEMBL2382890)	Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay
50005346	4	ChEMBL_960285 (CHEMBL2382891)	Inhibition of Keap1-Nrf2 interaction (unknown origin) after 30 mins by fluorescence polarization assay
50005347	1	ChEMBL_958077 (CHEMBL2383947)	Inhibition of recombinant cathepsin-B (unknown origin) using Z-Arg-Arg-AMC as substrate by fluorescence assay
50005347	2	ChEMBL_958074 (CHEMBL2383944)	Inhibition of recombinant cathepsin-K (unknown origin) using Z-Phe-Arg-AMC as substrate by fluorescence assay
50005347	3	ChEMBL_958078 (CHEMBL2383948)	Inhibition of recombinant cathepsin-L (unknown origin) using Z-Phe-Arg-AMC as substrate by fluorescence assay
50005347	4	ChEMBL_958075 (CHEMBL2383945)	Inhibition of recombinant cathepsin-S (unknown origin) using Z-Val-Arg-AMC as substrate by fluorescence assay
50005348	1	ChEMBL_958305 (CHEMBL2382449)	Inhibition of Staphylococcus aureus DNA gyrase
50005348	2	ChEMBL_958292 (CHEMBL2384766)	Inhibition of Staphylococcus aureus DNA gyrase D83N mutant
50005348	3	ChEMBL_958294 (CHEMBL2384768)	Inhibition of human ERG channel in HEK293 cells by voltage-gated patch clamp technique
50005348	4	ChEMBL_958293 (CHEMBL2384767)	Inhibition of Staphylococcus aureus DNA gyrase M121K mutant
50005349	1	ChEMBL_958330 (CHEMBL2382474)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis
50005349	2	ChEMBL_958328 (CHEMBL2382472)	Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis
50005350	1	ChEMBL_959036 (CHEMBL2382969)	Displacement of [3H]WIN-35428 form human DAT expressed in HEK293 cell membranes
50005350	2	ChEMBL_959038 (CHEMBL2382971)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cell membranes
50005350	3	ChEMBL_959040 (CHEMBL2382973)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes
50005351	1	ChEMBL_959552 (CHEMBL2384826)	Inhibition of [3H]PDBu binding to PKCdelta-C1A domain peptide (unknown origin)
50005351	2	ChEMBL_959553 (CHEMBL2384827)	Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide (unknown origin)
50005352	1	ChEMBL_959946 (CHEMBL2383888)	Displacement of [3H]U69593 from kappa opioid receptor (unknown origin)
50005352	2	ChEMBL_959948 (CHEMBL2383890)	Displacement of [3H]DADLE from delta opioid receptor (unknown origin)
50005352	3	ChEMBL_959949 (CHEMBL2383891)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin)
50005352	4	ChEMBL_959944 (CHEMBL2383886)	Agonist activity at kappa opioid receptor in human HEK293 cells assessed as stimulation of Galphai signaling by cAMP assay
50005354	1	ChEMBL_958097 (CHEMBL2384071)	Inhibition of human recombinant HDAC1 incubated for 10 mins prior to substrate addition measured after 60 mins by spectrophotometric analysis
50005354	2	ChEMBL_960365 (CHEMBL2383227)	Inhibition of human recombinant HDAC7 incubated for 10 mins prior to substrate addition measured after 60 mins by spectrophotometric analysis
50005355	1	ChEMBL_958098 (CHEMBL2384072)	Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins
50005365	1	ChEMBL_958841 (CHEMBL2384629)	Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate after 30 mins by fluorescence assay
50005365	2	ChEMBL_958842 (CHEMBL2384630)	Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate after 30 mins by fluorescence assay
50005366	1	ChEMBL_958850 (CHEMBL2384638)	Antagonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1
50005366	2	ChEMBL_958849 (CHEMBL2384637)	Antagonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1
50005366	3	ChEMBL_958851 (CHEMBL2384639)	Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1
50005366	4	ChEMBL_958852 (CHEMBL2384640)	Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1
50005367	1	ChEMBL_959363 (CHEMBL2384154)	Inhibition of thrombin (unknown origin)
50005368	1	ChEMBL_959610 (CHEMBL2382555)	Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis
50005368	2	ChEMBL_959600 (CHEMBL2382545)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes
50005368	3	ChEMBL_959602 (CHEMBL2382547)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes
50005368	4	ChEMBL_959620 (CHEMBL2382690)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis
50005368	5	ChEMBL_959621 (CHEMBL2382691)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis
50005368	6	ChEMBL_959622 (CHEMBL2382692)	Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis
50005368	7	ChEMBL_959623 (CHEMBL2382693)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis
50005368	8	ChEMBL_959624 (CHEMBL2382694)	Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis
50005368	9	ChEMBL_959625 (CHEMBL2382695)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis
50005368	10	ChEMBL_959611 (CHEMBL2382556)	Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis
50005368	11	ChEMBL_959601 (CHEMBL2382546)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50005368	12	ChEMBL_959618 (CHEMBL2382688)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells
50005368	13	ChEMBL_959605 (CHEMBL2382550)	Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells
50005368	14	ChEMBL_959603 (CHEMBL2382548)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells
50005370	1	ChEMBL_959780 (CHEMBL2383352)	Agonist activity at CB1 receptor in mouse Neuro2a cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liquid scintillation spectrophotometry
50005370	2	ChEMBL_959779 (CHEMBL2383351)	Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 15 mins by liquid scintillation spectrophotometry
50005372	1	ChEMBL_958169 (CHEMBL2384261)	Inhibition of COX-2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 level by radioimmunoassay
50005372	2	ChEMBL_958170 (CHEMBL2384262)	Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay
50005372	3	ChEMBL_960410 (CHEMBL2383403)	Inhibition of COX-1 (unknown origin) in platelet rich plasma assessed as inhibition of collagen-induced TXB2 formation incubated for 5 mins prior to collagen challenge measured for 5 mins by aggregometric analysis
50005372	4	ChEMBL_960411 (CHEMBL2383404)	Inhibition of COX-1 (unknown origin) in platelet rich plasma assessed as inhibition of arachidonic acid-induced TXB2 formation incubated for 5 mins prior to arachidonic acid challenge measured for 5 mins by aggregometric analysis
50005372	5	ChEMBL_960408 (CHEMBL2383401)	Inhibition of COX-1 in human washed platelet assessed as inhibition of 0.5 uM arachidonic acid-induced TXB2 formation incubated for 25 mins prior to arachidonic acid challenge measured after 30 mins by radioimmunoassay
50005372	6	ChEMBL_960409 (CHEMBL2383402)	Inhibition of COX-1 in human washed platelet assessed as inhibition of 10 uM arachidonic acid-induced TXB2 formation incubated for 25 mins prior to arachidonic acid challenge measured after 30 mins by radioimmunoassay
50005373	1	ChEMBL_958682 (CHEMBL2383984)	Inhibition of wild type EGFR (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay
50005373	2	ChEMBL_958684 (CHEMBL2383986)	Inhibition of EGFR L858R/T90M double mutant (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay
50005373	3	ChEMBL_958685 (CHEMBL2383987)	Inhibition of EGFR L858R mutant (unknown origin) after 1.5 hrs by FRET-based Z'Lyte assay
50005374	1	ChEMBL_959173 (CHEMBL2383456)	Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant after 10 mins by rolling circle transcription assay in presence of DNA nanocircle template NC45
50005374	2	ChEMBL_959175 (CHEMBL2383458)	Inhibition of rifamycin-resistant Escherichia coli RNA polymerase D516V mutant after 10 mins by rolling circle transcription assay in presence of DNA nanocircle template NC45
50005374	3	ChEMBL_959174 (CHEMBL2383457)	Inhibition of rifamycin-resistant Escherichia coli RNA polymerase H526Y mutant after 10 mins by rolling circle transcription assay in presence of DNA nanocircle template NC45
50005375	1	ChEMBL_959206 (CHEMBL2383561)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting analysis
50005375	2	ChEMBL_959207 (CHEMBL2383562)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting analysis
50005375	3	ChEMBL_959201 (CHEMBL2383556)	Inverse agonist activity at human CB2 receptor expressed in CHO cell membrane assessed as increase in forskolin-stimulated cAMP production by scintillation counting analysis
50005375	4	ChEMBL_959211 (CHEMBL2383566)	Displacement of [3H]CP-55940 from Sprague-Dawley rat spleen CB2 receptor after 60 mins by scintillation counting analysis
50005375	5	ChEMBL_959210 (CHEMBL2383565)	Displacement of [3H]CP-55940 from Sprague-Dawley rat brain CB1 receptor after 90 mins by scintillation counting analysis
50005377	1	ChEMBL_960950 (CHEMBL2388710)	Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as release of 4-Methylumbelliferyl fluorophore measured for 7 mins
50005377	2	ChEMBL_960954 (CHEMBL2388714)	Inhibition of human beta-N-acetyl-D-hexosaminidase-A/B using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate incubated for 10 mins prior to substrate addition by spectrofluorometric analysis
50005377	3	ChEMBL_960951 (CHEMBL2388711)	Competitive inhibition of human beta-N-acetyl-D-hexosaminidase-A using 4-Methylumbelliferyl N-acetyl-beta-D-glucosaminide as substrate assessed as release of 4-Methylumbelliferyl fluorophore measured for 7 mins
50005379	1	ChEMBL_961637 (CHEMBL2388954)	Reversible inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by NADPH and substrate addition measured after 10 mins
50005382	1	ChEMBL_961957 (CHEMBL2390698)	Inhibition of wild type mouse COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate incubated for 17 mins at 25 degC followed by 3 mins at 37 degC prior to substrate addition measured after 30 secs by thin layer chromatographic analysis
50005382	2	ChEMBL_961700 (CHEMBL2389370)	Inhibition of COX2 in human HNSCC1483 cells using [1-14C]-arachidonic acid as substrate assessed as inhibition of substrate oxygenation preincubated for 30 mins followed by substrate addition measured after 20 mins by thin layer chromatographic analysis
50005382	3	ChEMBL_961941 (CHEMBL2390532)	Inhibition of wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate incubated for 17 mins at 25 degC followed by 3 mins at 37 degC prior to substrate addition measured after 30 secs by thin layer chromatographic analysis
50005382	4	ChEMBL_961956 (CHEMBL2390697)	Inhibition of wild type ovine COX1 expressed in ram seminal vesicles using [1-14C]-arachidonic acid as substrate incubated for 17 mins at 25 degC followed by 3 mins at 37 degC prior to substrate addition measured after 30 secs by thin layer chromatographic analysis
50005382	5	ChEMBL_961702 (CHEMBL2389372)	Binding affinity to wild type human COX2 expressed in insect cells using [1-14C]-arachidonic acid as substrate
50005383	1	ChEMBL_960998 (CHEMBL2388914)	Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay
50005383	2	ChEMBL_960995 (CHEMBL2388911)	Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as substrate incubated for 1 hr measured every 1 min for 15 mins by fluorescence assay
50005383	3	ChEMBL_960999 (CHEMBL2388915)	Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as substrate incubated for 1 hr measured every 1 min for 15 mins by fluorescence assay
50005384	1	ChEMBL_961010 (CHEMBL2389108)	Negative allosteric modulation of rat mGluR5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced response by calcium mobilization assay
50005385	1	ChEMBL_961012 (CHEMBL2389110)	Inhibition of mTORC1 in human PC3 cells assessed as reduction of phosphorylated 4E-BP1Thr37/46 level after 90 mins by HTRF assay
50005386	1	ChEMBL_961358 (CHEMBL2390685)	Binding affinity to MC4R in HEK293 cells
50005386	2	ChEMBL_961360 (CHEMBL2390687)	Displacement of Eu-DTPA-CCK8 from CCK2 receptor in HEK293 cells after 2 hrs by TRF assay
50005387	1	ChEMBL_962038 (CHEMBL2388006)	Inhibition of PDE4B (unknown origin)
50005387	2	ChEMBL_962033 (CHEMBL2387856)	Inhibition of PDE4 (unknown origin)
50005387	3	ChEMBL_962032 (CHEMBL2387855)	Inhibition of PDE2 (unknown origin)
50005392	1	ChEMBL_960663 (CHEMBL2390257)	Inhibition of HIV1 capsid-nucleocapsid assembly expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescence assay
50005393	1	ChEMBL_961760 (CHEMBL2389578)	Inhibition of PDE4B catalytic domain (unknown origin)
50005393	2	ChEMBL_961453 (CHEMBL2388165)	Inhibition of PDE2 catalytic domain (unknown origin)
50005394	1	ChEMBL_962074 (CHEMBL2388191)	Inhibition of HCV NS5B polymerase P495L mutant assessed as inhibition of radioactive UMP incorporation into nascent RNA using poly aA/U12 template-primer after 1hr by liquid scintillation counting analysis
50005394	2	ChEMBL_962072 (CHEMBL2388040)	Inhibition of HCV NS5B polymerase M414T mutant assessed as inhibition of radioactive UMP incorporation into nascent RNA using poly aA/U12 template-primer after 1hr by liquid scintillation counting analysis
50005394	3	ChEMBL_962073 (CHEMBL2388190)	Inhibition of HCV NS5B polymerase M423T mutant assessed as inhibition of radioactive UMP incorporation into nascent RNA using poly aA/U12 template-primer after 1hr by liquid scintillation counting analysis
50005397	1	ChEMBL_962083 (CHEMBL2388200)	Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis
50005397	2	ChEMBL_962081 (CHEMBL2388198)	Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis
50005397	3	ChEMBL_962082 (CHEMBL2388199)	Inhibition of mouse GAT2 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis
50005398	1	ChEMBL_962120 (CHEMBL2388389)	Inhibition of amyloid beta fibril aggregation (unknown origin) by thioflavin T fluorescence method
50005399	1	ChEMBL_961834 (CHEMBL2389974)	Inhibition of recombinant GST-tagged p38alpha MAP kinase (unknown origin)
50005400	1	ChEMBL_961840 (CHEMBL2390132)	Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as substrate after 30 mins by plate reader analysis
50005401	1	ChEMBL_961866 (CHEMBL2390158)	Inhibition of recombinant ErbB-2 (unknown origin) after 10 mins by DELFIA/time-resolved fluorometry
50005401	2	ChEMBL_961867 (CHEMBL2390159)	Inhibition of recombinant EGFR (unknown origin) after 10 mins by DELFIA/time-resolved fluorometry
50005402	1	ChEMBL_963136 (CHEMBL2390778)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis
50005402	2	ChEMBL_963137 (CHEMBL2390779)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis
50005402	3	ChEMBL_963138 (CHEMBL2390780)	Binding affinity to mu opioid receptor (unknown origin)
50005402	4	ChEMBL_963135 (CHEMBL2390777)	Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis
50005402	5	ChEMBL_963011 (CHEMBL2390019)	Binding affinity to delta opioid receptor (unknown origin)
50005402	6	ChEMBL_963012 (CHEMBL2390020)	Binding affinity to kappa opioid receptor (unknown origin)
50005403	1	ChEMBL_963147 (CHEMBL2390789)	Inhibition of HDAC8 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay
50005403	2	ChEMBL_963148 (CHEMBL2390790)	Inhibition of HDAC6 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay
50005403	3	ChEMBL_963149 (CHEMBL2390791)	Inhibition of HDAC1 in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay
50005403	4	ChEMBL_963150 (CHEMBL2390792)	Inhibition of HDAC in human HeLa cells using Fluor-de-Lys as substrate after 15 mins by fluorescence assay
50005404	1	ChEMBL_963347 (CHEMBL2388686)	Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005404	2	ChEMBL_963345 (CHEMBL2388684)	Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005404	3	ChEMBL_963343 (CHEMBL2388682)	Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005404	4	ChEMBL_963348 (CHEMBL2388687)	Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005404	5	ChEMBL_963349 (CHEMBL2388688)	Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005404	6	ChEMBL_963346 (CHEMBL2388685)	Inhibition of human carbonic anhydrase-5A preincubated for 15 mins by stopped-flow CO2 hydration assay
50005405	1	ChEMBL_960431 (CHEMBL2389082)	Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cell membranes
50005405	2	ChEMBL_960429 (CHEMBL2389080)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production
50005405	3	ChEMBL_960430 (CHEMBL2389081)	Displacement of [3H]-CP-55,940 from human CB1 receptor expressed in CHO cell membranes
50005405	4	ChEMBL_963350 (CHEMBL2388689)	Displacement of [3H]-CP-55,940 from mouse brain CB1 receptor expressed in CHO cell membranes
50005406	1	ChEMBL_960446 (CHEMBL2389097)	Inhibition of wild type Candida albicans 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counting analysis
50005406	2	ChEMBL_960449 (CHEMBL2389100)	Inhibition of wild type Candida albicans MY1055 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counting analysis
50005408	1	ChEMBL_960779 (CHEMBL2387948)	Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with myenteric plexus assessed as inhibition of electrically-stimulated muscle contraction
50005408	2	ChEMBL_960469 (CHEMBL2389316)	Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50005408	3	ChEMBL_960777 (CHEMBL2387946)	Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50005408	4	ChEMBL_960774 (CHEMBL2387943)	Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50005408	5	ChEMBL_960467 (CHEMBL2389314)	Agonist activity at rat mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay
50005408	6	ChEMBL_960776 (CHEMBL2387945)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes
50005408	7	ChEMBL_960775 (CHEMBL2387944)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes
50005409	1	ChEMBL_961530 (CHEMBL2388561)	Inhibition of human liver cathepsin B using Z-RR-para-nitroanilide as substrate assessed as reversible equilibrium binding constant by Kitz-Wilson plot analysis
50005409	2	ChEMBL_961531 (CHEMBL2388562)	Inhibition of human liver cathepsin B
50005410	1	ChEMBL_961551 (CHEMBL2388582)	Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum
50005410	2	ChEMBL_961552 (CHEMBL2388583)	Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain devoid of cerebellum
50005410	3	ChEMBL_961553 (CHEMBL2388584)	Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain devoid of cerebellum
50005410	4	ChEMBL_961554 (CHEMBL2388585)	Binding affinity to kappa opioid receptor (unknown origin)
50005411	1	ChEMBL_961912 (CHEMBL2390503)	Inhibition of HDAC in human HeLa cells using Fluor de Lys as substrate by fluorescence assay
50005413	1	ChEMBL_960847 (CHEMBL2388297)	Inhibition of human full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate measured up to 120 mins by fluorescence assay
50005413	2	ChEMBL_960849 (CHEMBL2388299)	Inhibition of MMP1 (unknown origin)
50005413	3	ChEMBL_960848 (CHEMBL2388298)	Inhibition of human full length MMP9 using Mca-Pro-Leu-Gly-Leu-Dpa(Dnp)-Ala-Arg-NH2 as substrate measured up to 120 mins by fluorescence assay
50005416	1	ChEMBL_961259 (CHEMBL2390296)	Inhibition of trypsin (unknown origin)
50005417	1	ChEMBL_962568 (CHEMBL2390763)	Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylation
50005418	1	ChEMBL_963273 (CHEMBL2388469)	Inhibition of trypsin (unknown origin)
50005419	1	ChEMBL_963434 (CHEMBL2389279)	Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8
50005420	1	ChEMBL_964703 (CHEMBL2394495)	Inhibition of MAO-A (unknown origin) by luciferase reporter gene assay
50005422	1	ChEMBL_965284 (CHEMBL2394316)	Inhibition of human recombinant monoamine oxidase-A assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophotometric analysis
50005422	2	ChEMBL_965266 (CHEMBL2394149)	Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Morrison equation analysis
50005422	3	ChEMBL_965267 (CHEMBL2394150)	Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Cheng and Prusoff equation analysis
50005422	4	ChEMBL_965268 (CHEMBL2394300)	Competitive inhibition of human recombinant monoamine oxidase-A using kynuramine as substrate by Cheng and Prusoff equation analysis
50005422	5	ChEMBL_965283 (CHEMBL2394315)	Inhibition of human recombinant monoamine oxidase-B assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophotometric analysis
50005422	6	ChEMBL_965285 (CHEMBL2394317)	Inhibition of rat brain monoamine oxidase-B
50005422	7	ChEMBL_965286 (CHEMBL2394318)	Inhibition of rat brain monoamine oxidase-A
50005422	8	ChEMBL_965270 (CHEMBL2394302)	Competitive inhibition of human recombinant monoamine oxidase-A using kynuramine as substrate by Lineweaver-Burk plot analysis
50005422	9	ChEMBL_965269 (CHEMBL2394301)	Competitive inhibition of human recombinant monoamine oxidase-B using kynuramine as substrate by Lineweaver-Burk plot analysis
50005423	1	ChEMBL_963466 (CHEMBL2394195)	Inhibition of BRAF V600E mutant (unknown origin) assessed as inhibition of MEK phosphorylation by ELISA
50005425	1	ChEMBL_963963 (CHEMBL2393915)	Inhibition of atypical PKCzeta (unknown origin) using CREBtide as substrate incubated for 1 hr measured every 2.5 mins by ADP Quest assay
50005425	2	ChEMBL_963965 (CHEMBL2393917)	Inhibition of atypical PKCzeta in HEK293 cells assessed as TNF-induced NFkappaB activation incubated for 3 hrs prior to TNF induction measured after 5 hrs by bright-glo luciferase reporter gene assay
50005425	3	ChEMBL_963961 (CHEMBL2393913)	Inhibition of human ERG
50005425	4	ChEMBL_963962 (CHEMBL2393914)	Inhibition of atypical PKCiota (unknown origin) using CREBtide as substrate incubated for 1 hr measured every 2.5 mins by ADP Quest assay
50005427	1	ChEMBL_964670 (CHEMBL2394462)	Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells using SAVLQSGFRK as substrate after 5 hrs by luciferase reporter gene assay
50005427	2	ChEMBL_964810 (CHEMBL2395056)	Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME as substrate after 60 mins by FRET assay
50005427	3	ChEMBL_964808 (CHEMBL2395054)	Inhibition of recombinant SARS coronavirus 3C-like protease trans-cleavage activity by ELISA
50005427	4	ChEMBL_964668 (CHEMBL2394460)	Binding affinity to SARS coronavirus 3C-like protease by SPR analysis
50005427	5	ChEMBL_964809 (CHEMBL2395055)	Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME as substrate after 60 mins by Dixon plot analysis
50005427	6	ChEMBL_964669 (CHEMBL2394461)	Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells by luciferase reporter gene assay
50005429	1	ChEMBL_964821 (CHEMBL2395229)	Inhibition of MEK1 (unknown origin) using ATP and ERK2 K54R as substrate after 60 to 80 mins by HTRF assay
50005430	1	ChEMBL_964984 (CHEMBL2396017)	Inhibition of human NaV1.7 channel expressed in HEK293 cells by FRET assay
50005431	1	ChEMBL_965197 (CHEMBL2393982)	Inhibition of Influenza A virus (A/chicken/Sandong/Li/2008(H9N2)) neuraminidase N2 using 4-MU-NANA as substrate after 5 mins by fluorescence assay
50005431	2	ChEMBL_965196 (CHEMBL2393981)	Inhibition of Influenza A virus H1N1 A/duck/China/QJ/01 neuraminidase N1 using 4-MU-NANA as substrate after 5 mins by fluorescence assay
50005431	3	ChEMBL_965199 (CHEMBL2393984)	Inhibition of Influenza A virus H9N2 neuraminidase
50005431	4	ChEMBL_965198 (CHEMBL2393983)	Inhibition of Influenza A virus H1N1 neuraminidase
50005431	5	ChEMBL_965194 (CHEMBL2393979)	Non-competitive inhibition of Influenza A virus (A/chicken/Sandong/Li/2008(H9N2)) neuraminidase N2 using 4-MU-NANA as substrate by Lineweaver-Burk plot analysis
50005433	1	ChEMBL_965794 (CHEMBL2393733)	Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured after 20 mins
50005433	2	ChEMBL_965795 (CHEMBL2393734)	Inhibition of human JNK2alpha2 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by microplate scintillation counting analysis
50005433	3	ChEMBL_965796 (CHEMBL2393735)	Inhibition of human JNK1alpha1 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by microplate scintillation counting analysis
50005433	4	ChEMBL_965783 (CHEMBL2393722)	Binding affinity to JNK1 (unknown origin)
50005436	1	ChEMBL_963762 (CHEMBL2395761)	Inhibition of human COX2
50005436	2	ChEMBL_963754 (CHEMBL2395753)	Inhibition of platelet COX1 in human whole blood assessed as inhibition of serum TXB2 production after 1 hr by radioimmunoassay
50005436	3	ChEMBL_963765 (CHEMBL2395764)	Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to substrate addition measured after 30 mins by radioimmunoassay
50005436	4	ChEMBL_963755 (CHEMBL2395754)	Inhibition of monocyte COX2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 production after 24 hrs by radioimmunoassay
50005436	5	ChEMBL_963764 (CHEMBL2395763)	Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassay
50005437	1	ChEMBL_964093 (CHEMBL2394446)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells
50005437	2	ChEMBL_964092 (CHEMBL2394445)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50005437	3	ChEMBL_964095 (CHEMBL2394448)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells
50005437	4	ChEMBL_964094 (CHEMBL2394447)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50005438	1	ChEMBL_964268 (CHEMBL2395382)	Displacement of [3H]GR113808 from human 5-HT4B receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis
50005438	2	ChEMBL_964266 (CHEMBL2395380)	Inhibition of human ERG expressed in HEK293 cells by whole-cell patch-clamp technique
50005439	1	ChEMBL_964454 (CHEMBL2396343)	Inhibition of HIV-1 protease
50005439	2	ChEMBL_964453 (CHEMBL2396342)	Inhibition of HIV-1 integrase
50005441	1	ChEMBL_967989 (CHEMBL2401093)	Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by fluorescence plate reader analysis in presence of FPP
50005441	2	ChEMBL_969086 (CHEMBL2400967)	Inhibition of FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by microplate reader analysis
50005442	1	ChEMBL_968021 (CHEMBL2401273)	Inhibition of HIV1 3'-processing activity of integrase F185K/C280S double mutant expressed in Escherichia coli BL21 (DE3)
50005444	1	ChEMBL_968577 (CHEMBL2401297)	Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA
50005444	2	ChEMBL_968578 (CHEMBL2401298)	Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA
50005445	1	ChEMBL_968735 (CHEMBL2399171)	Inhibition of human BACE1
50005445	2	ChEMBL_968734 (CHEMBL2399170)	Inhibition of human brain BACE1
50005446	1	ChEMBL_968748 (CHEMBL2399301)	Displacement of [3H]U-69593 from kappa opoid receptor in Dunkin-Hartley guinea pig brain after 1 hr by liquid scintillation spectrometry
50005446	2	ChEMBL_968750 (CHEMBL2399303)	Displacement of [3H]DAMGO from mu opoid receptor in Dunkin-Hartley guinea pig brain after 1.5 hrs by liquid scintillation spectrometry
50005446	3	ChEMBL_968738 (CHEMBL2399174)	Binding affinity to kappa opioid receptor (unknown origin)
50005446	4	ChEMBL_968739 (CHEMBL2399175)	Binding affinity to mu opioid receptor (unknown origin)
50005446	5	ChEMBL_968736 (CHEMBL2399172)	Binding affinity to delta opioid receptor (unknown origin)
50005446	6	ChEMBL_968743 (CHEMBL2399179)	Displacement of [3H]U-69,593 from guinea pig brain kappa opoid receptor after 1 hr by liquid scintillation counting analysis
50005446	7	ChEMBL_968745 (CHEMBL2399298)	Displacement of [3H]DAMGO from guinea pig brain mu opoid receptor after 3 hrs by liquid scintillation counting analysis
50005447	1	ChEMBL_969007 (CHEMBL2400596)	Inhibition of RNase H activity of wild type HIV-1 reverse transcriptase using 18 nucleotide 3'-fluorescein-labeled RNA/18 nucleotide 5'-dabsyl-labeled DNA hybrid as substrate after 10 mins by fluorescence spectrometric analysis
50005448	1	ChEMBL_968173 (CHEMBL2399276)	Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay
50005449	1	ChEMBL_968258 (CHEMBL2399572)	Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting analysis
50005449	2	ChEMBL_968260 (CHEMBL2399574)	Displacement of [125I]IMPY from amyloid beta (1 to 40) (unknown origin) after 3 hrs by gamma counting analysis
50005449	3	ChEMBL_968259 (CHEMBL2399573)	Displacement of [125I]IMPY from amyloid beta in brain homogenate of Alzheimer's disease patient after 2 hrs by gamma counting analysis
50005450	1	ChEMBL_968487 (CHEMBL2400933)	Inhibition of recombinant human GSK3 using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by [33P-gamma]-ATP addition measured after 30 mins by liquid scintillation counting analysis
50005451	1	ChEMBL_968363 (CHEMBL2400234)	Displacement of [125I]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by Top counting analysis
50005451	2	ChEMBL_968357 (CHEMBL2400228)	Displacement of [125I]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by Top counting analysis
50005451	3	ChEMBL_968359 (CHEMBL2400230)	Agonist activity at human 5-HT2B receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay
50005451	4	ChEMBL_968362 (CHEMBL2400233)	Agonist activity at human 5-HT2C receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay
50005451	5	ChEMBL_968356 (CHEMBL2400227)	Agonist activity at human 5-HT2A receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay
50005451	6	ChEMBL_968360 (CHEMBL2400231)	Displacement of [125I]LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by Top counting analysis
50005451	7	ChEMBL_968328 (CHEMBL2400011)	Partial agonist activity at human 5-HT2B receptor expressed in HEK293E cells assessed as increase in intracellular calcium level by FLIPR assay
50005455	1	ChEMBL_968413 (CHEMBL2400564)	Inhibition of p-gp in human KB/VCR cells assessed as potentiation of 100 nM docetaxel-induced cytotoxicity after 72 hrs by MTT assay
50005457	1	ChEMBL_967666 (CHEMBL2399396)	Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-induced inward current at -70mV by two-electrode voltage clamp assay
50005459	1	ChEMBL_967832 (CHEMBL2400366)	Inhibition of human recombinant COX2 by fluorescence assay
50005459	2	ChEMBL_967831 (CHEMBL2400365)	Inhibition of ovine COX1 by fluorescence assay
50005461	1	ChEMBL_966565 (CHEMBL2399493)	Transactivation of human RXRalpha transfected in human 293 cells after 48 hrs by dual-luciferase reporter gene assay
50005461	2	ChEMBL_966564 (CHEMBL2399492)	Inhibition of HDAC isolated from human HeLa cell nuclear extract after 30 mins by fluorescence assay
50005462	1	ChEMBL_966750 (CHEMBL2400450)	Inhibition of human ERG current by patch clamp assay
50005462	2	ChEMBL_966751 (CHEMBL2400451)	Binding affinity to human ERG F656A tetrameric mutant expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -120 mV by patch clamp method
50005462	3	ChEMBL_966754 (CHEMBL2400454)	Binding affinity to human ERG Y652A tetrameric mutant expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -40 mV by patch clamp method
50005462	4	ChEMBL_966752 (CHEMBL2400452)	Binding affinity to human ERG F656A tandem dimeric mutant expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -120 mV by patch clamp method
50005462	5	ChEMBL_966755 (CHEMBL2400455)	Binding affinity to human ERG Y652A tandem dimeric mutant expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -40 mV by patch clamp method
50005462	6	ChEMBL_966756 (CHEMBL2400456)	Binding affinity to wild type human ERG expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -40 mV by patch clamp method
50005462	7	ChEMBL_966753 (CHEMBL2400453)	Binding affinity to human ERG S624A tetrameric mutant expressed in HEK293 cells assessed as inhibition of tail current measured upon repolarization to -40 mV by patch clamp method
50005463	1	ChEMBL_967132 (CHEMBL2400121)	Inhibition of wild type recombinant human thrombin expressed in BHK cells using S2238 as substrate after overnight incubation at 25 degC
50005463	2	ChEMBL_967134 (CHEMBL2400123)	Inhibition of recombinant human thrombin R97A mutant expressed in BHK cells using S2238 as substrate after overnight incubation at 25 degC
50005464	1	ChEMBL_967153 (CHEMBL2400142)	Allosteric modulation of human muscarinic M1 acetylcholine receptor expressed CHO cells assessed as intracellular calcium mobilization after 1 hr by Fluo-4-AM based fluorescence assay
50005464	2	ChEMBL_967154 (CHEMBL2400143)	Agonist activity at human muscarinic M1 acetylcholine receptor expressed CHO cells assessed as intracellular calcium mobilization after 1 hr by Fluo-4-AM based fluorescence assay
50005466	1	ChEMBL_967401 (CHEMBL2401042)	Inhibition of HDAC1 (unknown origin) after 30 mins by fluorometric analysis
50005466	2	ChEMBL_967400 (CHEMBL2401041)	Inhibition of HDAC8 (unknown origin) after 30 mins by fluorometric analysis
50005466	3	ChEMBL_967402 (CHEMBL2401043)	Inhibition of HDAC2 (unknown origin) after 30 mins by fluorometric analysis
50005467	1	ChEMBL_967406 (CHEMBL2401047)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 20 mins prior to substrate addition measured for 1 hr by Ellman's method
50005467	2	ChEMBL_967407 (CHEMBL2401048)	Inhibition of human AchE using acetylthiocholine iodide as substrate incubated for 20 mins prior to substrate addition measured for 1 hr by Ellman's method
50005468	1	ChEMBL_967566 (CHEMBL2399076)	Displacement of [3H]naloxone from mu opioid receptor (unknown origin) after 1.5 hrs
50005468	2	ChEMBL_967561 (CHEMBL2399071)	Agonist activity at mu opioid receptor (unknown origin) expressed CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding
50005468	3	ChEMBL_967564 (CHEMBL2399074)	Displacement of [3H]NTI from delta opioid receptor (unknown origin) after 1.5 hrs
50005468	4	ChEMBL_967565 (CHEMBL2399075)	Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrs
50005469	1	ChEMBL_966971 (CHEMBL2401458)	Inhibition of recombinant nNOS (unknown origin) assessed as conversion of L-[3H]-arginine to L-[3H]-citrulline after 30 mins
50005471	1	ChEMBL_967070 (CHEMBL2399679)	Agonist activity at CB1 receptor (unknown origin)
50005471	2	ChEMBL_967069 (CHEMBL2399678)	Agonist activity at CB2 receptor (unknown origin)
50005474	1	ChEMBL_967216 (CHEMBL2400153)	Competitive binding affinity to pig brain tubulin colchicine binding site after 1 hr by mass spectrophotometric analysis in presence of colchicine
50005475	1	ChEMBL_967444 (CHEMBL2401234)	Antagonist activity at human recombinant GABAA rho1 receptor expressed in Xenopus laevis assessed as inhibition of GABA-induced chloride current production after 2 to 5 days by two-electrode voltage-clamp electrophysiological assay
50005476	1	ChEMBL_967574 (CHEMBL2399084)	Inhibition of wild type HIV-1 integrase strand transfer activity after 30 mins
50005476	2	ChEMBL_967573 (CHEMBL2399083)	Inhibition of wild type HIV-1 integrase 3' processing activity after 30 mins
50005476	3	ChEMBL_967458 (CHEMBL2401248)	Inhibition of HIV-1 His6-tagged integrase assessed as inhibition of LEDGF/p75-integrase interaction incubated 30 mins prior to flag-tagged LEDGF/p75 addition measured after 1 hr by AlphaScreen assay
50005480	1	ChEMBL_967978 (CHEMBL2401082)	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO-K1 cells after 60 mins
50005480	2	ChEMBL_967979 (CHEMBL2401083)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 10 mins prior to NECA addition
50005480	3	ChEMBL_967980 (CHEMBL2401084)	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 1 hr by competitive binding assay
50005481	1	ChEMBL_971603 (CHEMBL2406877)	Displacement of MR121-Nrf2 from human N-terminal His-tagged Kelch-DC domain of Keap1 (321 to 609) expressed in Escherichia coli BL21 (DE3) after 40 mins by 2D-FIDA assay
50005483	1	ChEMBL_971792 (CHEMBL2404772)	Inhibition of ovine COX2
50005483	2	ChEMBL_971794 (CHEMBL2404774)	Inhibition of ovine COX1
50005485	1	ChEMBL_971988 (CHEMBL2405766)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50005485	2	ChEMBL_971990 (CHEMBL2405768)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50005485	3	ChEMBL_971989 (CHEMBL2405767)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50005485	4	ChEMBL_971987 (CHEMBL2405765)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50005486	2	ChEMBL_969194 (CHEMBL2404614)	Inhibition of recombinant wild type HIV1 RT using poly(rA)/oligo(dT)16 as template after 40 mins by spectrofluorometric analysis
50005487	1	ChEMBL_969204 (CHEMBL2404624)	Binding affinity to rat voltage-gated sodium channel Nav1.2 expressed in Xenopus laevis oocytes
50005488	1	ChEMBL_970845 (CHEMBL2406696)	Binding affinity to GST-tagged human PPARgamma LBD by ligand displacement assay
50005489	1	ChEMBL_971499 (CHEMBL2406561)	Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells
50005489	2	ChEMBL_971498 (CHEMBL2406560)	Antagonist activity at human MCHR1 expressed in CHOK1 cells assessed as inhibition of MCH/forskolin-stimulated cAMP production
50005489	3	ChEMBL_971488 (CHEMBL2406366)	Inhibition of human ERG channel by patch clamp technique
50005490	1	ChEMBL_971672 (CHEMBL2404211)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as amount of dopachrome produced after 30 mins by spectrophotometry
50005492	1	ChEMBL_972010 (CHEMBL2405961)	Inhibition of HIV-1 integrase strand transfer activity after 1 hr by ELISA
50005493	1	ChEMBL_972027 (CHEMBL2405978)	Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after 45 mins by microbeta scintillation counting analysis
50005493	2	ChEMBL_972025 (CHEMBL2405976)	Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human PBMC preincubated for 5 mins prior to LPS-treatment measured after 6 hrs by ELISA
50005493	3	ChEMBL_972017 (CHEMBL2405968)	Binding affinity to human p38beta expressed in Escherichia coli by surface plasmon resonance analysis
50005493	4	ChEMBL_972028 (CHEMBL2405979)	Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after 45 mins by microbeta scintillation counting analysis
50005493	5	ChEMBL_972018 (CHEMBL2405969)	Binding affinity to human p38alpha expressed in Escherichia coli by surface plasmon resonance analysis
50005493	6	ChEMBL_972021 (CHEMBL2405972)	Inhibition of p38beta (unknown origin)
50005493	7	ChEMBL_972023 (CHEMBL2405974)	Inhibition of p38alpha (unknown origin)
50005493	8	ChEMBL_972024 (CHEMBL2405975)	Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 hrs by ELISA
50005497	1	ChEMBL_972045 (CHEMBL2406149)	Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis
50005500	1	ChEMBL_971895 (CHEMBL2405345)	Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction
50005500	2	ChEMBL_971762 (CHEMBL2404598)	Activity at Wistar rat mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of naloxone
50005500	3	ChEMBL_971894 (CHEMBL2405344)	Activity at Wistar rat NOP receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of naloxone
50005500	4	ChEMBL_971768 (CHEMBL2404604)	Activity at Wistar rat mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction
50005500	5	ChEMBL_971896 (CHEMBL2405346)	Activity at Wistar rat NOP/mu opioid receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction in presence of naloxone
50005500	6	ChEMBL_971898 (CHEMBL2405348)	Activity at Wistar rat NOP receptor assessed as inhibition of low-frequency electrically-stimulated vas deferens contraction
50005501	1	ChEMBL_972090 (CHEMBL2406373)	Inhibition of HDAC in human HeLa cells assessed as deacetylation of substrate by fluorescence plate reader analysis
50005502	1	ChEMBL_969609 (CHEMBL2406451)	Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assay
50005502	2	ChEMBL_969611 (CHEMBL2406603)	Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assay
50005502	3	ChEMBL_969610 (CHEMBL2406602)	Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assay
50005502	4	ChEMBL_969612 (CHEMBL2406604)	Antagonist activity at Gal4 DBD-fused human ERalpha LBD expressed in HEK293T cells assessed as inhibition of estradiol-induced transcriptional activation after 20 hrs by luciferase reporter gene assay
50005503	1	ChEMBL_970262 (CHEMBL2406665)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1 hr
50005503	2	ChEMBL_970263 (CHEMBL2406666)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr
50005503	3	ChEMBL_970260 (CHEMBL2406663)	Displacement of [3H]prazosin from alpha1-adrenergic receptor in rat cerebral cortex after 30 mins by scintillation counting
50005503	4	ChEMBL_970261 (CHEMBL2406664)	Displacement of [3H]5-CT from human 5HT7b receptor expressed in HEK293 cells after 1 hr
50005505	1	ChEMBL_969860 (CHEMBL2404660)	Inhibition of porcine brain tubulin polymerization
50005506	1	ChEMBL_969869 (CHEMBL2404669)	Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method
50005506	2	ChEMBL_969870 (CHEMBL2404670)	Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method
50005507	1	ChEMBL_969677 (CHEMBL2406786)	Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis
50005507	2	ChEMBL_969678 (CHEMBL2406787)	Displacement of [3H]WIN 35,428 from DAT in Sprague-Dawley rat brain homogenate preincubated for 5 mins prior to radioligand addition measured after 1 hr by scintillation counting analysis
50005508	1	ChEMBL_969519 (CHEMBL2406030)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay
50005508	2	ChEMBL_969520 (CHEMBL2406031)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay
50005509	1	ChEMBL_969755 (CHEMBL2404097)	Displacement of [3H]-DAMGO from mu opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis
50005509	2	ChEMBL_969751 (CHEMBL2404093)	Agonist activity at mu opioid receptor in rat brain membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins in presence of GDP
50005509	3	ChEMBL_969753 (CHEMBL2404095)	Displacement of [3H]-DIDI from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting analysis
50005509	4	ChEMBL_969758 (CHEMBL2404100)	Agonist activity at delta opioid receptor in mouse vas deferens
50005509	5	ChEMBL_969752 (CHEMBL2404094)	Displacement of [3H]-U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by liquid scintillation counting analysis
50005509	6	ChEMBL_969756 (CHEMBL2404098)	Agonist activity at mu opioid receptor in guinea pig ileum
50005511	1	ChEMBL_969976 (CHEMBL2405242)	Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured after 25 to 45 mins
50005512	1	ChEMBL_972307 (CHEMBL2411983)	Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-GACCCTTTTAGTCAGTGTGGAAAATCTCTAGCAGT-3' as substrate after 1 hr by ELISA
50005512	2	ChEMBL_972308 (CHEMBL2411984)	Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligonucleotide as substrate after 1 hr by ELISA
50005512	3	ChEMBL_972305 (CHEMBL2411981)	Inhibition of HIV1 recombinant reverse transcriptase RNase H activity after 10 mins
50005512	4	ChEMBL_972309 (CHEMBL2411985)	Inhibition of 3'-processing activity of HIV1 integrase using 32P-5'-TGTGGAAAATCTCTAGCAGT-3' and 5'-ACTGCTAGAGATTTTCCACA-3' as substrate after 1 hr by ELISA
50005512	5	ChEMBL_972296 (CHEMBL2411807)	Inhibition of HIV1 integrase binding to LEDGF
50005514	1	ChEMBL_972491 (CHEMBL2409973)	Binding affinity to beta-amyloid plaque in Alzheimer's disease patient brain cortex after 1 hr by thioflavin-S based autoradiography
50005514	2	ChEMBL_972493 (CHEMBL2409975)	Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) after 3 hrs by gamma counting
50005516	1	ChEMBL_972231 (CHEMBL2411433)	Inhibition of recombinant PI4K3beta (unknown origin) using PI:PS as substrate after 75 to 90 mins by scintillation counting analysis in presence of [33P]- gamma-ATP
50005516	2	ChEMBL_972236 (CHEMBL2411438)	Inhibition of PI4K3beta (unknown origin)
50005516	3	ChEMBL_972234 (CHEMBL2411436)	Inhibition of PI4K3beta (unknown origin) expressed in baculovirus-infected Sf9 cells using PI:PS as substrate incubated for 10 mins followed by substrate addition measured after 1 hr by ADP-Glo kinase assay
50005517	1	ChEMBL_972353 (CHEMBL2412178)	Antagonist activity at human EP2 receptor overexpressed in rat C6 cells assessed as inhibition of PGE2-induced cAMP accumulation incubated for 10 mins prior to PGE2 addition measured after 40 mins by TR-FRET assay
50005519	1	ChEMBL_972366 (CHEMBL2412191)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in human/mouse HN9.10 cell membranes after 3 hrs by liquid scintillation counting analysis
50005519	2	ChEMBL_972357 (CHEMBL2412182)	Agonist activity at mu opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50005519	3	ChEMBL_972360 (CHEMBL2412185)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50005519	4	ChEMBL_972362 (CHEMBL2412187)	Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis
50005519	5	ChEMBL_972364 (CHEMBL2412189)	Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 90 mins by liquid scintillation counting analysis
50005519	6	ChEMBL_972367 (CHEMBL2412192)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in human/mouse HN9.10 cell membranes after 3 hrs by liquid scintillation counting analysis
50005519	7	ChEMBL_972358 (CHEMBL2412183)	Antagonist activity at delta opioid receptor in ICR mouse vas deferens
50005520	1	ChEMBL_972538 (CHEMBL2410190)	Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis
50005520	2	ChEMBL_972540 (CHEMBL2410192)	Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis
50005520	3	ChEMBL_972539 (CHEMBL2410191)	Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis
50005520	4	ChEMBL_972529 (CHEMBL2410181)	Competitive inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis
50005520	5	ChEMBL_972536 (CHEMBL2410188)	Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis
50005520	6	ChEMBL_972535 (CHEMBL2410187)	Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis
50005520	7	ChEMBL_972537 (CHEMBL2410189)	Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis
50005521	1	ChEMBL_972677 (CHEMBL2410780)	Modulation of FPRL1 (unknown origin) expressed in CHO-Ga16 cells assessed as induction of calcium activity by FLIPR assay
50005524	1	ChEMBL_972710 (CHEMBL2410919)	Displacement of [3H]DPDPE from delta opioid receptor (unknown origin) expressed in CHO cells after 90 mins by liquid scintillation counting
50005524	2	ChEMBL_972711 (CHEMBL2410920)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells after 90 mins by liquid scintillation counting
50005525	1	ChEMBL_974148 (CHEMBL2410990)	Inhibition of human cytosolic carbonic anhydrase 2 after 6 hrs by stopped flow CO2 hydrase assay
50005525	2	ChEMBL_974147 (CHEMBL2410989)	Inhibition of human mitochondrial carbonic anhydrase 5a after 6 hrs by stopped flow CO2 hydrase assay
50005525	3	ChEMBL_974145 (CHEMBL2410987)	Inhibition of human transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydrase assay
50005525	4	ChEMBL_974149 (CHEMBL2410991)	Inhibition of human cytosolic carbonic anhydrase 1 after 6 hrs by stopped flow CO2 hydrase assay
50005525	5	ChEMBL_974146 (CHEMBL2410988)	Inhibition of human transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydrase assay
50005526	1	ChEMBL_974163 (CHEMBL2411005)	Displacement of [3H]-hydroxytryptamine from human SERT expressed in CHO cells by TopCounting analysis
50005526	2	ChEMBL_974161 (CHEMBL2411003)	Displacement of [3H]-dopamine from human DAT expressed in CHO cells by TopCounting analysis
50005526	3	ChEMBL_974162 (CHEMBL2411004)	Displacement of [3H]-norepinephrine from human NET expressed in CHO cells by TopCounting analysis
50005529	1	ChEMBL_974280 (CHEMBL2411710)	Inhibition of human recombinant CA2 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay
50005529	2	ChEMBL_974279 (CHEMBL2411709)	Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay
50005530	1	ChEMBL_974299 (CHEMBL2411729)	Inhibition of amyloid beta (1-42) self-mediated aggregation (unknown origin) after 5 days by thioflavin T fluorescence method
50005531	1	ChEMBL_974313 (CHEMBL2411892)	Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activity assay
50005531	2	ChEMBL_974314 (CHEMBL2411893)	Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic production of ADP from ATP using coupled luminescence-based reaction by ADP-Glo kinase assay
50005532	1	ChEMBL_974418 (CHEMBL2412315)	Inhibition of full length His-tagged human recombinant HDAC6 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis
50005532	2	ChEMBL_974419 (CHEMBL2412316)	Inhibition of full length His-tagged human recombinant HDAC1 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis
50005532	3	ChEMBL_974420 (CHEMBL2412317)	Inhibition of HDAC in human HeLa cell extract using fluor de Lys as substrate after 15 mins by fluorometric analysis
50005534	1	ChEMBL_974641 (CHEMBL2410567)	Displacement of [125]IBNtxA from KOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay
50005534	2	ChEMBL_974642 (CHEMBL2410568)	Displacement of [125]IBNtxA from DOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay
50005534	3	ChEMBL_974643 (CHEMBL2410569)	Displacement of [125]IBNtxA from MOR-1 (unknown origin) transfected in CHO cells after 90 mins by competitive binding assay
50005535	1	ChEMBL_973280 (CHEMBL2412667)	Inhibition of recombinant human MAO-B assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by spectrofluorometric analysis
50005535	2	ChEMBL_973281 (CHEMBL2412668)	Inhibition of recombinant human MAO-A assessed as oxidation of kynuramine to 4-hydroxyquinoline after 20 mins by spectrofluorometric analysis
50005536	1	ChEMBL_973733 (CHEMBL2411862)	Inhibition of human ERG by automated planar patch-clamp system
50005538	1	ChEMBL_973872 (CHEMBL2412710)	Antagonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5-HT-induced cAMP accumulation pretreated for 10 mins before 5-HT addition measured after 30 mins
50005539	1	ChEMBL_973918 (CHEMBL2412926)	Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50005539	2	ChEMBL_973917 (CHEMBL2412925)	Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50005539	3	ChEMBL_973919 (CHEMBL2412927)	Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay
50005540	1	ChEMBL_972907 (CHEMBL2411830)	Inhibition of human Nav1.5
50005540	2	ChEMBL_972908 (CHEMBL2411831)	Inhibition of human ERG
50005541	1	ChEMBL_973192 (CHEMBL2410241)	Negative allosteric modulation of rat mGluR5 receptor expressed in HEK293 cells assessed as intracellular calcium flux after 170 seconds by FLIPR assay
50005542	1	ChEMBL_973789 (CHEMBL2412072)	Inhibition of ovine COX1 assessed as PGF2alpha production by reduction of PGH2 with stannous chloride by enzyme immunoassay
50005542	2	ChEMBL_973786 (CHEMBL2412069)	Inhibition of ovine COX2 assessed as PGF2alpha production by reduction of PGH2 with stannous chloride by enzyme immunoassay
50005543	1	ChEMBL_976536 (CHEMBL2416791)	Inhibition of recombinant full length human HDAC-6 expressed in baculovirus expression system using acetyl-Gly-Ala-Lys(acetyl)-AMC as substrate after 2 hrs by fluorescence microplate reader analysis
50005543	2	ChEMBL_976537 (CHEMBL2416792)	Inhibition of recombinant human HDAC-4 (2 to 1084) expressed in baculovirus infected Sf9 cells using acetyl-Gly-Ala-Lys(E-trifluoroacetyl)-AMC as substrate after2 hrs by fluorescence microplate reader analysis
50005543	3	ChEMBL_976538 (CHEMBL2416793)	Inhibition of recombinant full length human HDAC-1 expressed in baculovirus expression system using acetyl-Gly-Ala-Lys(acetyl)-AMC as substrate after 2 hrs by fluorescence microplate reader analysis
50005544	1	ChEMBL_976695 (CHEMBL2417101)	Antagonist activity at human recombinant CysLT2 receptor expressed in human HEK293 cells assessed as reduction in LTD4-induced cytosolic free Ca2+ level after 30 mins by fluorescence assay relative to control
50005547	1	ChEMBL_975623 (CHEMBL2416033)	Inhibition of ovine COX2 using arachidonic acid as substrate assessed as production of PGF2alpha preincubated for 10 mins followed by substrate addition measured after 2 mins by EIA in presence of stannous chloride
50005547	2	ChEMBL_975624 (CHEMBL2416034)	Inhibition of ovine COX1 using arachidonic acid as substrate assessed as production of PGF2alpha preincubated for 10 mins followed by substrate addition measured after 2 mins by EIA in presence of stannous chloride
50005551	1	ChEMBL_975636 (CHEMBL2416120)	Inhibition of human Hsp90 ATPase activity assessed as inhibition of ATP hydrolysis after 60 mins by fluorimetric analysis
50005551	2	ChEMBL_975637 (CHEMBL2416121)	Binding affinity to human Hsp90 by surface plasmon resonance analysis
50005555	1	ChEMBL_975651 (CHEMBL2416135)	Binding affinity to histamine H3 receptor (unknown origin)
50005555	2	ChEMBL_975652 (CHEMBL2416136)	Displacement of [125I]iodoproxyfan from histamine H3 receptor (unknown origin) expressed in CHO cells
50005556	1	ChEMBL_975659 (CHEMBL2416143)	Antagonist activity at 5-HT6 receptor (unknown origin)
50005556	2	ChEMBL_975660 (CHEMBL2416144)	Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as 5-HT-induced intracellular cAMP production after 30 mins
50005556	3	ChEMBL_975657 (CHEMBL2416141)	Displacement of [3H]-lysergic acid diethylamide from human 5-HT6 receptor expressed in HEK293 cell membranes after 3.5 hrs
50005556	4	ChEMBL_975658 (CHEMBL2416142)	Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux incubated for 30 mins prior to serotonin challenge measured after 4 mins by FLIPR assay
50005557	1	ChEMBL_975723 (CHEMBL2415221)	Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay
50005557	2	ChEMBL_975722 (CHEMBL2415220)	Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay
50005557	3	ChEMBL_975724 (CHEMBL2415222)	Inhibition of human carbonic anhydrase-2
50005558	1	ChEMBL_975877 (CHEMBL2415526)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampal membranes after 15 mins by liquid scintillation counting
50005558	2	ChEMBL_975878 (CHEMBL2415527)	Displacement of [3H]-YM-09151-2 from human D4 receptor after 120 mins by liquid scintillation counting
50005558	3	ChEMBL_975879 (CHEMBL2415528)	Displacement of [3H]-YM-09151-2 from D2 receptor in rat brain striatal membranes after 60 mins by liquid scintillation counting
50005558	4	ChEMBL_975868 (CHEMBL2415517)	Displacement of [3H]-ketanserin from 5HT2A receptor in rat brain cortical membranes after 15 mins by competition assay in presence of Gpp(NH)p
50005558	5	ChEMBL_975872 (CHEMBL2415521)	Displacement of [3H]-prozosin from alpha1B adrenoreceptor in rat liver membranes after 45 mins by liquid scintillation counting
50005558	6	ChEMBL_975874 (CHEMBL2415523)	Displacement of [3H]-RX821002 from alpha2 adrenoreceptor in rat brain cortical membranes after 45 mins by liquid scintillation counting
50005558	7	ChEMBL_975875 (CHEMBL2415524)	Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting
50005558	8	ChEMBL_975876 (CHEMBL2415525)	Displacement of [3H]-ketanserin from 5HT2A receptor in rat brain cortical membranes after 15 mins by liquid scintillation counting
50005558	9	ChEMBL_975869 (CHEMBL2415518)	Displacement of [3H]-ketanserin from 5HT2A receptor low affinity component in rat brain cortical membranes after 15 mins by competition assay
50005558	10	ChEMBL_975870 (CHEMBL2415519)	Displacement of [3H]-ketanserin from 5HT2A receptor high affinity component in rat brain cortical membranes after 15 mins by competition assay
50005558	11	ChEMBL_975873 (CHEMBL2415522)	Displacement of [3H]-QNB from muscarinic receptor in rat brain cortical membranes after 60 mins by liquid scintillation counting
50005559	1	ChEMBL_975980 (CHEMBL2415629)	Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of capsaicin-induced calcium flux after 30 mins by Fluo-4AM based fluorescence assay
50005559	2	ChEMBL_975981 (CHEMBL2415630)	Antagonist activity at rat TRPV1 receptor expressed in HEK293T cells assessed as inhibition of temperature-induced calcium flux after 30 mins by Fluo-4AM based fluorescence assay
50005561	1	ChEMBL_976070 (CHEMBL2415719)	Displacement of [3H]CP55940 from CB1 receptor in rat brain homogenate after 90 mins
50005561	2	ChEMBL_975998 (CHEMBL2415647)	Displacement of [3H]CP55940 from CB2 receptor in rat spleen homogenate after 90 mins
50005562	1	ChEMBL_976209 (CHEMBL2415858)	Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced cAMP accumulation pretreated for 10 mins before 5HT addition measured after 1 hr
50005564	1	ChEMBL_977174 (CHEMBL2416767)	Inhibition of human recombinant HDAC6 using p53 residues 379-382 (RHKKAc) as substrate
50005564	2	ChEMBL_977175 (CHEMBL2416768)	Inhibition of human recombinant HDAC4 using p53 residues 379-382 (RHKKAc) as substrate
50005564	3	ChEMBL_977176 (CHEMBL2416769)	Inhibition of human recombinant HDAC1 using p53 residues 379-382 (RHKKAc) as substrate
50005564	4	ChEMBL_977181 (CHEMBL2416774)	Inhibition of HDAC in human HeLa cell extract using Fluor deLys as substrate by fluorimetric assay
50005565	1	ChEMBL_975302 (CHEMBL2416371)	Binding affinity to 5-HT7 (unknown origin)
50005565	2	ChEMBL_975304 (CHEMBL2416373)	Binding affinity to 5-HT7 in rat brain
50005566	1	ChEMBL_975781 (CHEMBL2415309)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay
50005566	2	ChEMBL_975782 (CHEMBL2415310)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay
50005566	3	ChEMBL_975779 (CHEMBL2415307)	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay
50005566	4	ChEMBL_975780 (CHEMBL2415308)	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay
50005568	1	ChEMBL_975836 (CHEMBL2415441)	Agonist activity at human CB2 receptor expressed in CHO membranes assessed as [35S]-GTPgammaS binding after 1 hr
50005568	2	ChEMBL_975840 (CHEMBL2415445)	Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting
50005568	3	ChEMBL_975895 (CHEMBL2415544)	Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting
50005569	1	ChEMBL_975903 (CHEMBL2415552)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50005569	2	ChEMBL_975901 (CHEMBL2415550)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50005569	3	ChEMBL_975902 (CHEMBL2415551)	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50005569	4	ChEMBL_975904 (CHEMBL2415553)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50005570	1	ChEMBL_975938 (CHEMBL2415587)	Inhibition of mouse GAT3-mediated [3H]GABA uptake stably transfected in HEK293 cells
50005570	2	ChEMBL_975940 (CHEMBL2415589)	Inhibition of mouse GAT2-mediated [3H]GABA uptake stably transfected in HEK293 cells
50005570	3	ChEMBL_975939 (CHEMBL2415588)	Inhibition of mouse GAT1-mediated [3H]GABA uptake stably transfected in HEK293 cells
50005570	4	ChEMBL_975937 (CHEMBL2415586)	Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay
50005571	1	ChEMBL_976125 (CHEMBL2415774)	Inhibition of PDE6 (unknown origin)
50005571	2	ChEMBL_976127 (CHEMBL2415776)	Inhibition of PDE5 (unknown origin)
50005572	1	ChEMBL_976157 (CHEMBL2415806)	Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay
50005572	2	ChEMBL_976158 (CHEMBL2415807)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50005572	3	ChEMBL_976159 (CHEMBL2415808)	Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50005573	1	ChEMBL_976616 (CHEMBL2416948)	Binding affinity to human norepinephrine transporter by ligand displacement assay
50005573	2	ChEMBL_976613 (CHEMBL2416945)	Inhibition of human protein farnseyltransferase
50005574	1	ChEMBL_976625 (CHEMBL2416957)	Inhibition of RIP1/JNK2 (unknown origin)-mediated necrosis
50005575	1	ChEMBL_976631 (CHEMBL2416963)	Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting
50005575	2	ChEMBL_976632 (CHEMBL2416964)	Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membranes after 1 hr by liquid scintillation counting
50005577	1	ChEMBL_976660 (CHEMBL2417035)	Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay
50005577	2	ChEMBL_976661 (CHEMBL2417036)	Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay
50005579	1	ChEMBL_976992 (CHEMBL2416516)	Antagonist activity at human PPARdelta assessed as effect on TIPP-703-induced activity
50005580	1	ChEMBL_977021 (CHEMBL2416545)	Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells
50005580	2	ChEMBL_977018 (CHEMBL2416542)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Gai2 and Gb1c2 subunit
50005581	1	ChEMBL_977221 (CHEMBL2416851)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenates after 120 mins by liquid scintillation counting
50005581	2	ChEMBL_977222 (CHEMBL2416893)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50005581	3	ChEMBL_977223 (CHEMBL2416894)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50005581	4	ChEMBL_977224 (CHEMBL2416895)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting
50005584	1	ChEMBL_977422 (CHEMBL2417309)	Agonist activity at PPARgamma (unknown origin) by nuclear receptor cofactor assay
50005585	1	ChEMBL_978847 (CHEMBL2423449)	Antagonist activity at human alpha1beta2gamma2S GABA-A receptor expressed in tsA201 cells assessed as inhibition of GABA-induced effect after 30 mins by FLIPR membrane potential blue assay
50005586	1	ChEMBL_979159 (CHEMBL2421959)	Inhibition of HSP90 in human MCF7 cells assessed as depletion of cell surface HER2 protein level after 18 hrs by Western blot analysis
50005587	1	ChEMBL_979171 (CHEMBL2421971)	Inhibition of human recombinant MAO-B expressed in insect cell microsomes using kynuramine as substrate assessed as formation of 4-hydroxyquinoline by fluorometric method
50005587	2	ChEMBL_979172 (CHEMBL2421972)	Inhibition of human recombinant MAO-A expressed in insect cell microsomes using kynuramine as substrate assessed as formation of 4-hydroxyquinoline by fluorometric method
50005587	3	ChEMBL_979173 (CHEMBL2421973)	Displacement of [14C]-beta-PEA from rat MAO-B after 20 mins by liquid scintillation counting analysis
50005587	4	ChEMBL_979168 (CHEMBL2421968)	Competitive inhibition of human recombinant MAO-B expressed in insect cell microsomes using kynuramine as substrate by Lineweaver-Burk plot analysis
50005587	5	ChEMBL_979174 (CHEMBL2421974)	Displacement of [14C]-5HT from rat MAO-A after 20 mins by liquid scintillation counting analysis
50005591	1	ChEMBL_980091 (CHEMBL2423528)	Inhibition of Jack bean urease using urea as substrate assessed as production of ammonia after 15 mins
50005592	1	ChEMBL_978244 (CHEMBL2423613)	Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50005592	2	ChEMBL_978245 (CHEMBL2423614)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50005592	3	ChEMBL_978243 (CHEMBL2423612)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting
50005594	1	ChEMBL_979836 (CHEMBL2422218)	Antibacterial activity against Enterococcus faecalis NCTC 775 after 20 to 24 hrs by two-fold broth microdilution method
50005595	1	ChEMBL_978684 (CHEMBL2422545)	Displacement of [3H]-8-OHDPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins
50005595	2	ChEMBL_978685 (CHEMBL2422546)	Displacement of [3H]prazosin from human alpha-1D adrenoreceptor expressed in CHO cells after 30 mins
50005595	3	ChEMBL_978687 (CHEMBL2422548)	Displacement of [3H]prazosin from human alpha-1A adrenoreceptor expressed in CHO cells after 30 mins
50005595	4	ChEMBL_978686 (CHEMBL2422547)	Displacement of [3H]prazosin from human alpha-1B adrenoreceptor expressed in CHO cells after 30 mins
50005595	5	ChEMBL_978671 (CHEMBL2422334)	Binding affinity to human 5-HT1A receptor
50005596	1	ChEMBL_978705 (CHEMBL2422566)	Inhibition of human voltage-gated sodium channel subunit alpha Nav1.2 expressed in CHO cells by patch clamp assay
50005596	2	ChEMBL_978707 (CHEMBL2422568)	Inhibition of rat brain voltage-gated sodium channel subunit alpha Nav1.2-mediated current expressed in CHO cells
50005597	1	ChEMBL_978967 (CHEMBL2424158)	Inhibition of recombinant human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50005597	2	ChEMBL_978966 (CHEMBL2424157)	Inhibition of recombinant human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50005597	3	ChEMBL_978965 (CHEMBL2424156)	Inhibition of recombinant human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay
50005598	1	ChEMBL_979559 (CHEMBL2424189)	Inhibition of Escherichia coli LpxC enzyme using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetyl glucosamine and [gamma-32P] UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate after 1 to 4 hrs
50005598	2	ChEMBL_979560 (CHEMBL2424190)	Inhibition of Escherichia coli LpxC enzyme
50005600	1	ChEMBL_978383 (CHEMBL2424346)	Inhibition of carbapenems-resistant Pseudomonas aeruginosa MSC15369 metallo-beta-lactamase IMP1 expressed in Escherichia coli DH5[alpha] using nitrocefin as substrate after 20 mins by spectrophotometry
50005601	1	ChEMBL_978388 (CHEMBL2424351)	Inhibition of human topoisomerase-2alpha using kDNA as substrate assessed as inhibition of ATP-dependent kDNA decatenation after 30 mins by agarose gel electrophoresis
50005602	1	ChEMBL_979033 (CHEMBL2421086)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected insect BTI-TN-5B1-4 cells assessed as p-tyramine conversion to H2O2 by fluorescence assay
50005602	2	ChEMBL_979034 (CHEMBL2421087)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect BTI-TN-5B1-4 cells assessed as p-tyramine conversion to H2O2 by fluorescence assay
50005603	1	ChEMBL_979620 (CHEMBL2421112)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes
50005603	2	ChEMBL_979618 (CHEMBL2421110)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes
50005603	3	ChEMBL_979619 (CHEMBL2421111)	Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes
50005603	4	ChEMBL_979611 (CHEMBL2424422)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as induction of electrically-stimulated muscle contraction
50005603	5	ChEMBL_979610 (CHEMBL2424421)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as induction of electrically-stimulated muscle contraction
50005603	6	ChEMBL_979613 (CHEMBL2424424)	Antagonist activity at mu/kappa opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50005603	7	ChEMBL_979616 (CHEMBL2421108)	Antagonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50005604	1	ChEMBL_979952 (CHEMBL2422864)	Inhibition of human IMPDH1
50005604	2	ChEMBL_979953 (CHEMBL2422865)	Inhibition of human IMPDH2
50005605	1	ChEMBL_980537 (CHEMBL2422696)	Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs
50005605	2	ChEMBL_980540 (CHEMBL2422699)	Displacement of [3H]-naltrindole from mouse delta opioid receptor expressed in CHO cells after 1.5 hrs
50005605	3	ChEMBL_980541 (CHEMBL2422700)	Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs
50005605	4	ChEMBL_980542 (CHEMBL2422701)	Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cells after 1.5 hrs
50005607	1	ChEMBL_980555 (CHEMBL2422901)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting
50005607	2	ChEMBL_980554 (CHEMBL2422900)	Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting
50005608	1	ChEMBL_978080 (CHEMBL2422528)	Inhibition of PDE10A (unknown origin)
50005608	2	ChEMBL_978072 (CHEMBL2422520)	Inhibition of human ERG
50005610	1	ChEMBL_978088 (CHEMBL2422536)	Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation after 5 hrs by luciferase reporter gene assay
50005610	2	ChEMBL_978084 (CHEMBL2422532)	Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 90 to 120 mins by liquid scintillation counting
50005611	1	ChEMBL_978401 (CHEMBL2421043)	Inhibition of recombinant His6-tagged HIV-1 integrase 3' strand transfer activity
50005611	2	ChEMBL_978402 (CHEMBL2421044)	Inhibition of recombinant His6-tagged HIV-1 integrase 3' processing activity
50005612	1	ChEMBL_978486 (CHEMBL2421505)	Displacement of [3H]PDBu from PKCepsilon C1B domain (unknown origin)
50005612	2	ChEMBL_978488 (CHEMBL2421507)	Displacement of [3H]PDBu from PKCgamma C1A domain (unknown origin)
50005612	3	ChEMBL_978487 (CHEMBL2421506)	Displacement of [3H]PDBu from PKCdelta C1B domain (unknown origin)
50005612	4	ChEMBL_978484 (CHEMBL2421503)	Displacement of [3H]PDBu from PKCtheta C1B domain (unknown origin)
50005612	5	ChEMBL_978485 (CHEMBL2421504)	Displacement of [3H]PDBu from PKCeta C1B domain (unknown origin)
50005612	6	ChEMBL_978489 (CHEMBL2421508)	Displacement of [3H]PDBu from PKCbeta C1A domain (unknown origin)
50005612	7	ChEMBL_978490 (CHEMBL2421509)	Displacement of [3H]PDBu from PKCalpha C1A domain (unknown origin)
50005613	1	ChEMBL_979078 (CHEMBL2421337)	Inhibition of human recombinant MAO-B using benzylamine hydrochloride as substrate assessed as H2O2 synthesis after 1 hr by fluorescence assay
50005614	1	ChEMBL_980914 (CHEMBL2421449)	Inhibition of human plasma BuChE using butyrylthiocholine as substrate by Ellman's method
50005614	2	ChEMBL_980915 (CHEMBL2421450)	Inhibition of purified human erythrocyte AChE using acetylcholine as substrate by Ellman's method
50005615	1	ChEMBL_978210 (CHEMBL2423386)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate assessed as uric acid formation preincubated for 5 mins followed by substrate addition measured every minute up to 8 mins by spectrophotometric analysis
50005617	1	ChEMBL_978570 (CHEMBL2421940)	Antagonist activity at CB2 receptor in HEK293 cells assessed as increase in CP-55,940 EC50 measuring inhibition of forskolin-stimulated cAMP accumulation at 1 uM incubated 20 mins prior to CP-55,940 addition measured after 7 mins by spectrophotometry (Rvb = 4.21+/-1.16 nM)
50005617	2	ChEMBL_978571 (CHEMBL2421941)	Agonist activity at CB2 receptor in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50005617	3	ChEMBL_978573 (CHEMBL2421943)	Displacement of [3H]CP-55,940 from human CB2 receptor after 1 hr by competitive binding assay
50005617	4	ChEMBL_978575 (CHEMBL2421945)	Binding affinity to human CB2 receptor expressed in CHO cells
50005618	1	ChEMBL_981604 (CHEMBL2429131)	Inhibition of BChE (unknown origin) using butyryl thiocholine iodide as substrate after 30 mins by Ellman's method
50005618	2	ChEMBL_981605 (CHEMBL2429132)	Inhibition of AChE (unknown origin) using acetyl thiocholine iodide as substrate after 30 mins by Ellman's method
50005619	1	ChEMBL_981861 (CHEMBL2427556)	Binding affinity to human adenosine A3 receptor
50005621	1	ChEMBL_983275 (CHEMBL2428597)	Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay
50005621	2	ChEMBL_983278 (CHEMBL2428600)	Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay
50005621	3	ChEMBL_983078 (CHEMBL2427438)	Inhibition of pig brain tubulin assembly preincubated for 15 mins followed by GTP addition measured after 20 mins by spectrophotometric analysis in presence of glycerol
50005628	1	ChEMBL_983286 (CHEMBL2428608)	Inhibition of MMP-13 (unknown origin)
50005628	2	ChEMBL_983459 (CHEMBL2429269)	Inhibition of MMP-2 (unknown origin)
50005628	3	ChEMBL_983458 (CHEMBL2429268)	Inhibition of MMP-9 (unknown origin)
50005628	4	ChEMBL_983461 (CHEMBL2429271)	Inhibition of MMP-13 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50005628	5	ChEMBL_983464 (CHEMBL2429399)	Inhibition of MMP-9 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50005628	6	ChEMBL_983463 (CHEMBL2429273)	Inhibition of MMP-8 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50005628	7	ChEMBL_983462 (CHEMBL2429272)	Inhibition of MMP-2 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50005628	8	ChEMBL_983457 (CHEMBL2429267)	Inhibition of MMP-8 (unknown origin)
50005631	1	ChEMBL_980992 (CHEMBL2427713)	Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by fluorescence assay
50005631	2	ChEMBL_980993 (CHEMBL2427714)	Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human PC9 cells after 2 hrs by fluorescence assay
50005631	3	ChEMBL_981165 (CHEMBL2427158)	Inhibition of EGFR L858R/T970M double mutant phosphorylation in human NCI-H1975 cells after 2 hrs by fluorescence assay
50005631	4	ChEMBL_980973 (CHEMBL2427694)	Inhibition of human ERG
50005631	5	ChEMBL_980989 (CHEMBL2427710)	Inhibition of wild type human EGFR after 50 mins by HTRF assay
50005632	1	ChEMBL_981456 (CHEMBL2428634)	Inhibition of HIV1 LAI protease by fluorescence assay
50005632	2	ChEMBL_981453 (CHEMBL2428516)	Inhibition of HIV1 protease
50005633	1	ChEMBL_982327 (CHEMBL2426847)	Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM
50005634	1	ChEMBL_982464 (CHEMBL2427414)	Inhibition of recombinant EGFR kinase cytoplasmic domain (unknown origin) expressed in baculovirus expression vector-infected insect sf9 cells assessed as level of autophosphorylation after 10 mins by DELFIA/time-resolved fluorometry
50005635	1	ChEMBL_982795 (CHEMBL2429047)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay
50005635	2	ChEMBL_982796 (CHEMBL2429048)	Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay
50005635	3	ChEMBL_982794 (CHEMBL2429046)	Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay
50005635	4	ChEMBL_982792 (CHEMBL2429044)	Inhibition of human membrane bound carbonic anhydrase 12 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay
50005635	5	ChEMBL_982793 (CHEMBL2429045)	Inhibition of human membrane bound carbonic anhydrase 9 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay
50005636	1	ChEMBL_982986 (CHEMBL2427070)	Inhibition of human DNA topoisomerase 2alpha using pBR322 DNA after 30 mins by agarose gel electrophoresis
50005638	1	ChEMBL_983134 (CHEMBL2427861)	Inhibition of human ERG by patch clamp assay
50005638	2	ChEMBL_983133 (CHEMBL2427860)	Inhibition of human ERG transfected in HEK293 cells by patch clamp assay
50005639	1	ChEMBL_983491 (CHEMBL2429426)	Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay
50005640	1	ChEMBL_980995 (CHEMBL2427716)	Inhibition of human thrombin after 1 hr by fluorescence assay
50005641	1	ChEMBL_981005 (CHEMBL2427726)	Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis
50005641	2	ChEMBL_981006 (CHEMBL2427727)	Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membranes after 1 hr by liquid scintillation counting analysis
50005642	1	ChEMBL_981013 (CHEMBL2427923)	Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting
50005642	2	ChEMBL_981014 (CHEMBL2427924)	Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting
50005643	1	ChEMBL_981464 (CHEMBL2428642)	Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method
50005643	2	ChEMBL_981271 (CHEMBL2427756)	Inhibition of Helicobacter pylori urease
50005643	3	ChEMBL_981270 (CHEMBL2427755)	Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis
50005643	4	ChEMBL_981463 (CHEMBL2428641)	Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as ammonia production preincubated for 1.5 hrs by indophenol-based method
50005644	1	ChEMBL_982642 (CHEMBL2428431)	Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured after 8 hrs by Western blot analysis
50005644	2	ChEMBL_982643 (CHEMBL2428432)	Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated for 1 hr followed by compound washout measured at 1 hr by Western blot analysis
50005644	3	ChEMBL_982646 (CHEMBL2428558)	Inhibition of wild type human EGFR tyrosine kinase assessed as Ulight-CAGAGAIETDKEYYTVKD phosphorylation after 15 mins by time-resolved fluorometry
50005646	1	ChEMBL_982653 (CHEMBL2428565)	Inhibition of core catalytic domains PDE3A (unknown origin)
50005646	2	ChEMBL_982651 (CHEMBL2428563)	Inhibition of core catalytic domains PDE4B (unknown origin)
50005648	1	ChEMBL_985351 (CHEMBL2432160)	Inhibition of HIV-1 reverse transcriptase
50005649	1	ChEMBL_985359 (CHEMBL2432168)	Inhibition of COX (unknown origin)
50005652	1	ChEMBL_985816 (CHEMBL2434178)	Competitive inhibition of trypsin (unknown origin) using N-succinyl-phenylalanine-p-nitroanilide as substrate incubated for 20 mins prior to substrate addition by Dixon plot/ Lineweaver-Burk plot analysis
50005653	1	ChEMBL_986496 (CHEMBL2434577)	Binding affinity at human alpha2A AR
50005653	2	ChEMBL_986494 (CHEMBL2434575)	Binding affinity at human alpha2C AR
50005653	3	ChEMBL_986492 (CHEMBL2434417)	Binding affinity at human 5HT1A receptor
50005653	4	ChEMBL_986495 (CHEMBL2434576)	Binding affinity at human alpha2B AR
50005653	5	ChEMBL_986498 (CHEMBL2434579)	Agonist activity at human alpha2B AR
50005653	6	ChEMBL_986497 (CHEMBL2434578)	Agonist activity at human alpha2C AR
50005655	1	ChEMBL_983858 (CHEMBL2433296)	Positive allosteric modulation at muscarinic acetylcholine receptor M1(unknown origin)
50005656	1	ChEMBL_983860 (CHEMBL2433298)	Inhibition of gamma secretase-mediated amyloid beta42 production in HEK293 cells expressing APP after 5 hrs by sandwich immunoassay
50005657	1	ChEMBL_984173 (CHEMBL2432226)	Inhibition of human ERG channel expressed in Chinese hamster lung cells after 6 to 7 mins by patch clamp assay
50005659	1	ChEMBL_984414 (CHEMBL2433138)	Inhibition of Mycobacterium tuberculosis PtpA
50005660	1	ChEMBL_984415 (CHEMBL2433139)	Binding affinity to human ERG channel
50005663	1	ChEMBL_985456 (CHEMBL2432598)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50005663	2	ChEMBL_985457 (CHEMBL2432599)	Displacement of [3H]-deltorphin 2 from delta opioid receptor in rat GH3 cells after 60 mins by scintillation counting analysis
50005664	1	ChEMBL_985666 (CHEMBL2433432)	Inhibition of human carbonic anhydrase-12 by stopped flow CO2 hydrase assay
50005664	2	ChEMBL_985667 (CHEMBL2433433)	Inhibition of human carbonic anhydrase-9 by stopped flow CO2 hydrase assay
50005667	1	ChEMBL_985680 (CHEMBL2433611)	Activation of PKCdelta (unknown origin) using phosphatidylserine as substrate
50005670	1	ChEMBL_983928 (CHEMBL2433697)	Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK293 cells
50005670	2	ChEMBL_983926 (CHEMBL2433695)	Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells
50005670	3	ChEMBL_983923 (CHEMBL2433692)	Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells
50005671	1	ChEMBL_983943 (CHEMBL2433712)	Inhibition of recombinant human MAO-A assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50005671	2	ChEMBL_983941 (CHEMBL2433710)	Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50005671	3	ChEMBL_983945 (CHEMBL2433714)	Inhibition of rat MAO-A
50005671	4	ChEMBL_984177 (CHEMBL2432230)	Competitive inhibition of rat brain MAO-B
50005671	5	ChEMBL_983933 (CHEMBL2433702)	Reversible competitive inhibition of recombinant human MAO-B using kynuramine as substrate assessed as formation of 4-hydroxyquinoline by Lineweaver-Burk plot analysis
50005671	6	ChEMBL_983939 (CHEMBL2433708)	Reversible inhibition of recombinant human MAO-B assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline after 20 mins by fluorescence spectrophotometry
50005671	7	ChEMBL_983934 (CHEMBL2433703)	Inhibition of MAO-B (unknown origin)
50005671	8	ChEMBL_983944 (CHEMBL2433713)	Inhibition of rat brain MAO-B
50005672	1	ChEMBL_984485 (CHEMBL2433534)	Inhibition of human CDK2/Cyclin A
50005673	1	ChEMBL_984835 (CHEMBL2432556)	Induction of Nrf2-mediated ARE activity in human HepG2-ARE-C8 cells after 12 hrs by luciferase reporter gene assay
50005674	1	ChEMBL_984872 (CHEMBL2432695)	Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis
50005676	1	ChEMBL_987692 (CHEMBL2439560)	Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT2 receptor (unknown origin) after 180 mins by gamma counting analysis
50005676	2	ChEMBL_987693 (CHEMBL2439561)	Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis
50005677	1	ChEMBL_987982 (CHEMBL2438511)	Inhibition of human DNA topoisomerase-2alpha assessed as relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis
50005682	1	ChEMBL_988566 (CHEMBL2438425)	Displacement of [3H]CP55940 from CB2 receptor (unknown origin) expressed in CHO-K1 cells
50005682	2	ChEMBL_988567 (CHEMBL2438426)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells
50005684	1	ChEMBL_988577 (CHEMBL2438528)	Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation
50005684	2	ChEMBL_988579 (CHEMBL2438530)	Inhibition of full length B-Raf V600E mutant (unknown origin)
50005685	1	ChEMBL_986999 (CHEMBL2439319)	Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescence assay
50005685	2	ChEMBL_986998 (CHEMBL2439318)	Binding affinity to human recombinant BACE1 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay
50005686	1	ChEMBL_987014 (CHEMBL2439334)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay
50005686	2	ChEMBL_987016 (CHEMBL2439336)	Inhibition of wild type EGFR (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay
50005686	3	ChEMBL_987015 (CHEMBL2439335)	Inhibition of EGFR L858R mutant (unknown origin) using Tyr 4 peptide as substrate after 1.5 hrs by FRET-based Z'-LYTE assay
50005687	1	ChEMBL_987022 (CHEMBL2439342)	Inhibition of recombinant human farnesyltransferase using Dansyl-GCVLS as substrate measured for 15 mins by fluorimetric analysis
50005690	1	ChEMBL_987396 (CHEMBL2438355)	Inhibition of purified mouse COX-2 assessed as inhibition of PGE2/PGD2 formation preincubated for 15 mins before arachidonic acid substrate addition measured after 30 seconds by LC-MS-MS method
50005690	2	ChEMBL_987400 (CHEMBL2438465)	Inhibition of purified mouse COX-2 assessed as inhibition of PGE2/PGD2 formation preincubated for 3 mins before arachidonic acid substrate addition measured after 30 seconds by LC-MS-MS method
50005690	3	ChEMBL_987401 (CHEMBL2438466)	Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured after 30 seconds by LC-MS-MS method
50005690	4	ChEMBL_987397 (CHEMBL2438356)	Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 15 mins before 2-AG substrate addition measured after 30 seconds by LC-MS-MS method
50005691	1	ChEMBL_987404 (CHEMBL2438469)	Inhibition of human topoisomerase 2 using relaxed pBR322 as substrate after 10 mins by decatenation assay
50005692	1	ChEMBL_987752 (CHEMBL2439843)	Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO Flp-In cells assessed as stimulation of acetylcholine-induced ERK1/2 phosphorylation incubated under green light condition by fluorescence assay
50005693	1	ChEMBL_987756 (CHEMBL2439847)	Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay
50005694	1	ChEMBL_988045 (CHEMBL2438813)	Antagonist activity at human recombinant adenosine A1 receptor expressed in CHO cells assessed as inhibition of NECA-mediated reduction of intracellular [3H]-cAMP accumulation incubated for 15 mins prior to NECA induction measured after 30 mins by liquid scintillation spectrometric analysis in presence of forskolin
50005694	2	ChEMBL_988046 (CHEMBL2438814)	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins
50005694	3	ChEMBL_988047 (CHEMBL2438815)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane after 90 mins
50005694	4	ChEMBL_988048 (CHEMBL2438816)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins
50005695	1	ChEMBL_988382 (CHEMBL2437809)	Displacement of [3H]U-69,593 from mouse brain kappa opioid receptor by scintillation counting analysis
50005695	2	ChEMBL_988383 (CHEMBL2437810)	Displacement of [3H]DAMGO from mouse brain mu opioid receptor by scintillation counting analysis
50005695	3	ChEMBL_988384 (CHEMBL2437811)	Displacement of [3H]DPDPE from mouse brain delta opioid receptor by scintillation counting analysis
50005696	1	ChEMBL_986745 (CHEMBL2438166)	Inhibition of jack bean urease using urea as substrate assessed as ammonia production after 15 mins
50005697	1	ChEMBL_987263 (CHEMBL2437892)	Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration assay
50005697	2	ChEMBL_987260 (CHEMBL2437889)	Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay
50005697	3	ChEMBL_987261 (CHEMBL2437890)	Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay
50005697	4	ChEMBL_987262 (CHEMBL2437891)	Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration assay
50005700	1	ChEMBL_987295 (CHEMBL2438038)	Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50005700	2	ChEMBL_987411 (CHEMBL2438476)	Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorimetric analysis
50005700	3	ChEMBL_987412 (CHEMBL2438477)	Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorimetric analysis
50005701	1	ChEMBL_987432 (CHEMBL2438497)	Agonist activity at mouse cloned delta opioid receptor expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50005701	2	ChEMBL_987433 (CHEMBL2438607)	Agonist activity at mouse cloned kappa opioid receptor expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50005701	3	ChEMBL_987434 (CHEMBL2438608)	Agonist activity at mouse cloned mu opioid receptor expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
50005701	4	ChEMBL_987441 (CHEMBL2438615)	Displacement of [125I]-BNtxA from mouse cloned delta opioid receptor expressed in CHO cells after 90 mins
50005701	5	ChEMBL_987442 (CHEMBL2438616)	Displacement of [125I]-BNtxA from mouse cloned kappa opioid receptor expressed in CHO cells after 90 mins
50005701	6	ChEMBL_987443 (CHEMBL2438617)	Displacement of [125I]-BNtxA from mouse cloned mu opioid receptor expressed in CHO cells after 90 mins
50005705	1	ChEMBL_987605 (CHEMBL2439214)	Inhibition of EGFR (unknown origin) using poly-(Glu4-Tyr) as substrate after 1 hr by ELISA-based spectrophotometry
50005705	2	ChEMBL_987604 (CHEMBL2439213)	Inhibition of HER-2 (unknown origin) using poly-(Glu4-Tyr) as substrate after 1 hr by ELISA-based spectrophotometry
50005706	1	ChEMBL_992754 (CHEMBL2443903)	Positive allosteric modulation of GluA2 receptor in rat embryonic cortex neuron assessed as increase of AMPA-induced membrane depolarization by FLIPR assay
50005706	2	ChEMBL_992757 (CHEMBL2443906)	Positive allosteric modulation of GluA2 receptor in rat embryonic cortex neuron assessed as increase of AMPA-induced membrane depolarization by fluorescence assay
50005707	1	ChEMBL_991051 (CHEMBL2446070)	Displacement of [3H]-cytisine from Sprague-Dawley rat brain alpha4beta2 nAChR after 4 hrs by liquid scintillation counting analysis
50005707	2	ChEMBL_991052 (CHEMBL2446071)	Displacement of [125I]-alpha-bungarotoxin from Sprague-Dawley rat brain alpha7 nAChR after 3 hrs by liquid scintillation counting analysis
50005708	1	ChEMBL_991566 (CHEMBL2445311)	Inhibition of estrogen receptor alpha-mediated human MCF7 cell growth inhibition
50005710	1	ChEMBL_992703 (CHEMBL2443605)	Inhibition of recombinant human MAO-B expressed in insect cells using kynuramine as substrate assessed as formation of 4-hydroxyquinoline measured every 5 mins for 30 mins
50005710	2	ChEMBL_992704 (CHEMBL2443606)	Inhibition of recombinant human MAO-A expressed in insect cells using kynuramine as substrate assessed as formation of 4-hydroxyquinoline measured every 5 mins for 30 mins
50005713	1	ChEMBL_992707 (CHEMBL2443609)	Inhibition of human CA9 by stopped-flow CO2 hydrase assay
50005713	2	ChEMBL_992705 (CHEMBL2443607)	Inhibition of human CA12 by stopped-flow CO2 hydrase assay
50005713	3	ChEMBL_992709 (CHEMBL2443611)	Inhibition of human CA5A by stopped-flow CO2 hydrase assay
50005713	4	ChEMBL_992706 (CHEMBL2443608)	Inhibition of human CA5B by stopped-flow CO2 hydrase assay
50005713	5	ChEMBL_992710 (CHEMBL2443612)	Inhibition of human CA1 by stopped-flow CO2 hydrase assay
50005713	6	ChEMBL_992708 (CHEMBL2443610)	Inhibition of human CA2 by stopped-flow CO2 hydrase assay
50005715	1	ChEMBL_989553 (CHEMBL2444609)	Binding affinity to wild type MOR (unknown origin) expressed in CHO cells after 15 mins by Ca2+ mobilization assay
50005715	2	ChEMBL_989552 (CHEMBL2444608)	Antagonist activity at MOR (unknown origin) assessed as inhibition of DAMGO-induced agonism
50005717	1	ChEMBL_989557 (CHEMBL2444613)	Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 (1:1.2) as template/primer after 40 mins by spectrofluorometric analysis
50005718	1	ChEMBL_989754 (CHEMBL2445992)	Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as beta-arrestin recruitment by chemiluminescence assay
50005718	2	ChEMBL_989756 (CHEMBL2445994)	Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay
50005718	3	ChEMBL_989738 (CHEMBL2445976)	Inhibition of human Nav 1.5 tonic ion channel expressed in HEK293 cells by whole-cell patch clamp technique
50005718	4	ChEMBL_989739 (CHEMBL2445977)	Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique
50005718	5	ChEMBL_989740 (CHEMBL2445978)	Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique
50005718	6	ChEMBL_989746 (CHEMBL2445984)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay
50005718	7	ChEMBL_989737 (CHEMBL2445975)	Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique
50005718	8	ChEMBL_989736 (CHEMBL2445974)	Binding affinity to human mu opioid receptor by radio-ligand binding assay
50005718	9	ChEMBL_989745 (CHEMBL2445983)	Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescence assay
50005719	1	ChEMBL_989757 (CHEMBL2445995)	Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pBR322 after 1 hr by ethidium bromide staining
50005720	1	ChEMBL_990153 (CHEMBL2444348)	Inhibition of human Kv1.5 channel expressed in HEK293 cells by whole cell patch clamp technique
50005720	2	ChEMBL_990152 (CHEMBL2444347)	Inhibition of human ERG channel expressed in CHO cells by whole cell patch clamp technique
50005721	1	ChEMBL_990755 (CHEMBL2443822)	Reversible inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured after 2 hrs by Ellmans method
50005721	2	ChEMBL_990754 (CHEMBL2443821)	Reversible inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured at initial time point by Ellmans method
50005722	1	ChEMBL_989069 (CHEMBL2445699)	Inhibition of Human immunodeficiency virus 1 integrase 3'-processing activity after 30 mins by polyacrylamide gel electrophoresis
50005722	2	ChEMBL_989068 (CHEMBL2445698)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
50005723	1	ChEMBL_989130 (CHEMBL2446193)	Inhibition of human carbonic anhydrase7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	2	ChEMBL_989131 (CHEMBL2446194)	Inhibition of human carbonic anhydrase6 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	3	ChEMBL_989127 (CHEMBL2446190)	Inhibition of human carbonic anhydrase13 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	4	ChEMBL_989129 (CHEMBL2446192)	Inhibition of human carbonic anhydrase9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	5	ChEMBL_989126 (CHEMBL2446189)	Inhibition of human carbonic anhydrase14 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	6	ChEMBL_989132 (CHEMBL2446195)	Inhibition of human carbonic anhydrase2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005723	7	ChEMBL_989128 (CHEMBL2446191)	Inhibition of human carbonic anhydrase12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005724	1	ChEMBL_989138 (CHEMBL2446201)	Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis
50005724	2	ChEMBL_989139 (CHEMBL2446202)	Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis
50005726	1	ChEMBL_989154 (CHEMBL2446217)	Inhibition of EGFR in shed membrane vesicles of human A431 cells using poly-Glu-Tyr as substrate after 30 mins by ELISA
50005727	1	ChEMBL_989416 (CHEMBL2443693)	Inhibition of recombinant human PDE4B using cAMP as substrate after 30 mins
50005728	1	ChEMBL_989422 (CHEMBL2443699)	Antagonist activity at EP2 receptor (unknown origin)
50005728	2	ChEMBL_989427 (CHEMBL2443704)	Binding affinity to human EP4 receptor
50005728	3	ChEMBL_989429 (CHEMBL2443706)	Binding affinity to human EP3 receptor
50005728	4	ChEMBL_989428 (CHEMBL2443705)	Binding affinity to human EP2 receptor
50005728	5	ChEMBL_989430 (CHEMBL2443707)	Binding affinity to human EP1 receptor
50005728	6	ChEMBL_989431 (CHEMBL2443708)	Antagonist activity at human EP1 receptor by intracellular Ca2+ release assay
50005728	7	ChEMBL_989440 (CHEMBL2443717)	Antagonist activity at human EP1 receptor by reporter gene assay
50005728	8	ChEMBL_989420 (CHEMBL2443697)	Antagonist activity at EP3 receptor (unknown origin)
50005728	9	ChEMBL_989421 (CHEMBL2443698)	Antagonist activity at EP4 receptor (unknown origin)
50005729	1	ChEMBL_989617 (CHEMBL2445161)	Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting
50005729	2	ChEMBL_989619 (CHEMBL2445163)	Displacement of [3H]-CP-55940 from cannabinoid CB2 receptor in CD1 mouse spleen membranes after 1 hr by liquid scintillation counting
50005729	3	ChEMBL_989616 (CHEMBL2445160)	Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting
50005729	4	ChEMBL_989620 (CHEMBL2445164)	Displacement of [3H]-CP-55940 from cannabinoid CB1 receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting
50005731	1	ChEMBL_989621 (CHEMBL2445165)	Inhibition of recombinant human ACE using (7-methoxycoumarin-4-yl)acetyl-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys(2,4-dinitrophenyle)-OH as substrate after 30 mins by fluorescence assay
50005731	2	ChEMBL_989622 (CHEMBL2445166)	Inhibition of ACE (unknown origin)
50005731	3	ChEMBL_989623 (CHEMBL2445167)	Inhibition of human serum ACE
50005733	1	ChEMBL_989626 (CHEMBL2445170)	Inhibition of HDAC in human HeLa cell nuclear extracts using Color de LysTM after 30 mins
50005734	1	ChEMBL_989827 (CHEMBL2446503)	Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay
50005734	2	ChEMBL_989829 (CHEMBL2446505)	Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay
50005734	3	ChEMBL_989830 (CHEMBL2446506)	Binding affinity to human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by thermal shift assay
50005734	4	ChEMBL_989825 (CHEMBL2446501)	Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay
50005734	5	ChEMBL_989822 (CHEMBL2446498)	Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry
50005734	6	ChEMBL_989823 (CHEMBL2446499)	Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry
50005734	7	ChEMBL_989698 (CHEMBL2445711)	Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry
50005734	8	ChEMBL_989821 (CHEMBL2446497)	Binding affinity to human recombinant carbonic anhydrase 12 by isothermal titration calorimetry
50005734	9	ChEMBL_989826 (CHEMBL2446502)	Binding affinity to human recombinant carbonic anhydrase 12 by thermal shift assay
50005734	10	ChEMBL_989828 (CHEMBL2446504)	Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay
50005734	11	ChEMBL_989677 (CHEMBL2445457)	Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50005736	1	ChEMBL_989846 (CHEMBL2446522)	Inhibition of human recombinant carbonic anhydrase9 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	2	ChEMBL_989843 (CHEMBL2446519)	Inhibition of human recombinant carbonic anhydrase14 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	3	ChEMBL_989844 (CHEMBL2446520)	Inhibition of human recombinant carbonic anhydrase13 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	4	ChEMBL_989845 (CHEMBL2446521)	Inhibition of human recombinant carbonic anhydrase12 transmembrane isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	5	ChEMBL_989847 (CHEMBL2446523)	Inhibition of human recombinant carbonic anhydrase7 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	6	ChEMBL_989848 (CHEMBL2446745)	Inhibition of human recombinant carbonic anhydrase6 secreted isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	7	ChEMBL_989849 (CHEMBL2446746)	Inhibition of human recombinant carbonic anhydrase5A mitochondrial isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	8	ChEMBL_989850 (CHEMBL2446747)	Inhibition of human recombinant carbonic anhydrase4 membrane-bound isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	9	ChEMBL_989851 (CHEMBL2446748)	Inhibition of human recombinant carbonic anhydrase3 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	10	ChEMBL_989852 (CHEMBL2446749)	Inhibition of human recombinant carbonic anhydrase2 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005736	11	ChEMBL_989853 (CHEMBL2446750)	Inhibition of human recombinant carbonic anhydrase1 cytosolic isoform expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005737	1	ChEMBL_989967 (CHEMBL2447324)	Inhibition of recombinant human BACE-1 using SEVNLDAEFK as substrate after 90 mins by FRET assay
50005739	1	ChEMBL_989993 (CHEMBL2447598)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotinylated dUTP incorporation after 1 hr by ELISA
50005740	1	ChEMBL_990075 (CHEMBL2443752)	Binding affinity to GluA2 receptor (unknown origin)
50005740	2	ChEMBL_990076 (CHEMBL2443753)	Binding affinity to GluK1 receptor (unknown origin)
50005744	1	ChEMBL_990082 (CHEMBL2443759)	Inhibition of HDAC in human HeLa cell nuclear extracts using Fluor de Lys as substrate by fluorescence assay
50005746	1	ChEMBL_990335 (CHEMBL2445748)	Agonist activity at human recombinant CB1 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50005746	2	ChEMBL_990336 (CHEMBL2445749)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis
50005746	3	ChEMBL_990337 (CHEMBL2445750)	Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis
50005746	4	ChEMBL_990257 (CHEMBL2445202)	Partial agonist activity at human recombinant CB1 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50005746	5	ChEMBL_990258 (CHEMBL2445203)	Agonist activity at human recombinant CB2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50005746	6	ChEMBL_990255 (CHEMBL2445200)	Inverse agonist activity at human recombinant CB2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50005746	7	ChEMBL_990333 (CHEMBL2445746)	Partial agonist activity at human recombinant CB2 receptor expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay
50005747	1	ChEMBL_990358 (CHEMBL2445771)	Inhibition of SARS coronavirus 3C-like protease by FRET assay
50005748	1	ChEMBL_990483 (CHEMBL2446560)	Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP accumulation after 1.5 hrs by TR-FRET immunoassay
50005749	1	ChEMBL_1275979 (CHEMBL3088743)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method
50005749	2	ChEMBL_1275976 (CHEMBL3088740)	Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay
50005749	3	ChEMBL_1275973 (CHEMBL3088737)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method
50005750	1	ChEMBL_1276464 (CHEMBL3088560)	Inhibition of recombinant human catalytic domain of carbonic anhydrase-12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005750	2	ChEMBL_1276465 (CHEMBL3088561)	Inhibition of recombinant human catalytic domain of carbonic anhydrase-9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005750	3	ChEMBL_1276466 (CHEMBL3088590)	Inhibition of full length human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005750	4	ChEMBL_1276467 (CHEMBL3088591)	Inhibition of full length human cytosolic carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005751	1	ChEMBL_1276473 (CHEMBL3088597)	Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by electrochemiluminescent plate-based assay
50005751	2	ChEMBL_1276474 (CHEMBL3088598)	Inhibition of RNase H activity of recombinant HIV1 reverse transcriptase using poly(dC)-[3H]poly(rG) as substrate
50005752	1	ChEMBL_1276841 (CHEMBL3089582)	Binding affinity to HIV1 reverse transcriptase assessed as compound incorporation into DNA by primer extension assay
50005752	2	ChEMBL_1276829 (CHEMBL3089497)	Inhibition of HIV1 reverse transcriptase-mediated [H3]TTP incorporation into poly(rA)-oligo(dT)16 DNA preincubated for 5 mins prior to primer/template and substrate addition by liquid scintillation spectrometric analysis
50005753	1	ChEMBL_1276992 (CHEMBL3088429)	Inhibition of human recombinant PDE10A using cAMP as substrate preincubated for 30 mins prior to substrate addition measured after 1 hr by IMAP TR-FRET analysis
50005754	1	ChEMBL_1277161 (CHEMBL3088813)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) after 1.5 hrs by FRET-based Z'-Lyte assay
50005754	2	ChEMBL_1277028 (CHEMBL3088497)	Binding affinity to EGFR L858R/T790M double mutant (unknown origin)
50005754	3	ChEMBL_1277030 (CHEMBL3088499)	Inhibition of EGFR L851Q mutant (unknown origin)
50005754	4	ChEMBL_1277031 (CHEMBL3088500)	Inhibition of EGFR L858R mutant (unknown origin)
50005754	5	ChEMBL_1277032 (CHEMBL3088501)	Inhibition of EGFR T790M mutant (unknown origin)
50005755	1	ChEMBL_1277199 (CHEMBL3088919)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50005755	2	ChEMBL_1277204 (CHEMBL3088924)	Agonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005755	3	ChEMBL_1277325 (CHEMBL3089286)	Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005755	4	ChEMBL_1277198 (CHEMBL3088918)	Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cells
50005755	5	ChEMBL_1277197 (CHEMBL3088917)	Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cells
50005755	6	ChEMBL_1277323 (CHEMBL3089284)	Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005759	1	ChEMBL_1275453 (CHEMBL3090387)	Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP
50005759	2	ChEMBL_1275454 (CHEMBL3090388)	Inhibition of p38alpha MAP kinase in human whole blood assessed as inhibition of LPS-induced TNFalpha release by ELISA
50005759	3	ChEMBL_1275449 (CHEMBL3090383)	Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 300 uM ATP
50005760	1	ChEMBL_1275486 (CHEMBL3090456)	Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50005760	2	ChEMBL_1275487 (CHEMBL3090457)	Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50005760	3	ChEMBL_1275488 (CHEMBL3090458)	Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50005760	4	ChEMBL_1275491 (CHEMBL3090461)	Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs
50005760	5	ChEMBL_1275492 (CHEMBL3090462)	Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins
50005760	6	ChEMBL_1275493 (CHEMBL3090463)	Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins
50005760	7	ChEMBL_1275485 (CHEMBL3090455)	Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 mins by scintillation counting analysis
50005762	1	ChEMBL_1276151 (CHEMBL3089317)	Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
50005762	2	ChEMBL_1276039 (CHEMBL3088962)	Inhibition of S1P4 receptor (unknown origin)
50005762	3	ChEMBL_1276040 (CHEMBL3088963)	Inhibition of S1P3 receptor (unknown origin)
50005762	4	ChEMBL_1276157 (CHEMBL3089323)	Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
50005762	5	ChEMBL_1276168 (CHEMBL3089444)	Agonist activity at S1P4 receptor (unknown origin)
50005762	6	ChEMBL_1276161 (CHEMBL3089327)	Agonist activity at human S1P4 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005762	7	ChEMBL_1276167 (CHEMBL3089443)	Agonist activity at S1P5 receptor (unknown origin)
50005762	8	ChEMBL_1276160 (CHEMBL3089326)	Agonist activity at human S1P5 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005762	9	ChEMBL_1276038 (CHEMBL3088961)	Inhibition of S1P5 receptor (unknown origin)
50005762	10	ChEMBL_1276169 (CHEMBL3089445)	Agonist activity at S1P3 receptor (unknown origin)
50005762	11	ChEMBL_1276154 (CHEMBL3089320)	Antagonist activity at human S1P5 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
50005762	12	ChEMBL_1276158 (CHEMBL3089324)	Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
50005762	13	ChEMBL_1276163 (CHEMBL3089329)	Agonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50005762	14	ChEMBL_1276155 (CHEMBL3089321)	Antagonist activity at human S1P4 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
50005762	15	ChEMBL_1276156 (CHEMBL3089322)	Antagonist activity at human S1P3 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium mobilization preincubated for 20 mins by Fluo-4/FLIPR method
50005762	16	ChEMBL_1276170 (CHEMBL3089446)	Agonist activity at S1P1 receptor (unknown origin)
50005764	1	ChEMBL_1276172 (CHEMBL3089448)	Inhibition of recombinant human Hsp90alpha ATP-binding pocket of N-terminal domain after 4 hrs by fluorescence polarization assay
50005765	1	ChEMBL_1276214 (CHEMBL3089537)	Agonist activity at S1P1 receptor (unknown origin)
50005765	2	ChEMBL_1276215 (CHEMBL3089538)	Agonist activity at human S1P3 receptor expressed in CHO cells after 4 hrs by fluorescence assay
50005765	3	ChEMBL_1276209 (CHEMBL3089461)	Agonist activity at S1P5 receptor (unknown origin)
50005765	4	ChEMBL_1276212 (CHEMBL3089535)	Agonist activity at S1P4 receptor (unknown origin)
50005765	5	ChEMBL_1276213 (CHEMBL3089536)	Agonist activity at S1P2 receptor (unknown origin)
50005766	1	ChEMBL_1276879 (CHEMBL3089680)	Inhibition of human recombinant BuChE by Ellman's assay
50005766	2	ChEMBL_1276880 (CHEMBL3089681)	Inhibition of human recombinant AChE by Ellman's assay
50005766	3	ChEMBL_1276878 (CHEMBL3089679)	Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) by thioflavin T fluorescence method
50005767	1	ChEMBL_1276890 (CHEMBL3089691)	Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin)
50005767	2	ChEMBL_1276889 (CHEMBL3089690)	Displacement of [3H]ATPA from human Gluk1 receptor
50005770	1	ChEMBL_1277069 (CHEMBL3088574)	Reversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis
50005770	2	ChEMBL_1277068 (CHEMBL3088573)	Mixed type inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis
50005770	3	ChEMBL_1277070 (CHEMBL3088575)	Competitive inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50005770	4	ChEMBL_1277071 (CHEMBL3088576)	Irreversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50005770	5	ChEMBL_1277072 (CHEMBL3088577)	Reversible inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50005770	6	ChEMBL_1277073 (CHEMBL3088578)	Mixed type inhibition of recombinant human MAO-A expressed in baculovirus infected BT1 cells using p-tyramine as substrate by Lineweaver-Burk plot analysis
50005770	7	ChEMBL_1277067 (CHEMBL3088572)	Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis
50005770	8	ChEMBL_1277060 (CHEMBL3088565)	Competitive inhibition of MAOA in human SH-SY5Y cells using p-tyramine as substrate preincubated for 5 mins by Lineweaver-Burk plot analysis
50005770	9	ChEMBL_1277066 (CHEMBL3088571)	Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis
50005771	1	ChEMBL_1277233 (CHEMBL3089026)	Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation counting
50005771	2	ChEMBL_1277232 (CHEMBL3089025)	Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation counting
50005772	1	ChEMBL_1277417 (CHEMBL3089528)	Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs
50005772	2	ChEMBL_1277404 (CHEMBL3089515)	Partial agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 3 hrs by liquid scintillation counting analysis
50005772	3	ChEMBL_1277410 (CHEMBL3089521)	Agonist activity at delta opioid receptor (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs
50005772	4	ChEMBL_1277420 (CHEMBL3089531)	Agonist activity at kappa opioid receptor (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs
50005772	5	ChEMBL_1277416 (CHEMBL3089527)	Displacement of [3H]NTI from delta opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs
50005772	6	ChEMBL_1277418 (CHEMBL3089529)	Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs
50005772	7	ChEMBL_1277405 (CHEMBL3089516)	Binding affinity to mu opioid receptor (unknown origin)
50005773	1	ChEMBL_1274963 (CHEMBL3090651)	Modulation of human Nav1.5 by automated patch clamp electrophysiology assay
50005773	2	ChEMBL_1274964 (CHEMBL3090652)	Modulation of human Nav1.7 by automated patch clamp electrophysiology assay
50005773	3	ChEMBL_1274965 (CHEMBL3090653)	Modulation of human Nav1.4 by automated patch clamp electrophysiology assay
50005773	4	ChEMBL_1274966 (CHEMBL3090654)	Modulation of human Nav1.3 by automated patch clamp electrophysiology assay
50005775	1	ChEMBL_1276052 (CHEMBL3088975)	Inhibition of BACE1 in HEK293 cells expressing APP NFEV and APP K612V mutant assessed as generation of EV40/EV42 by electrochemiluminescence assay
50005775	2	ChEMBL_1276051 (CHEMBL3088974)	Inhibition of BACE1 in human SH-SY5Y cells expressing APP NFEV and wild-type alpha cleavage site assessed as generation of EV40/EV42 by electrochemiluminescence assay
50005775	3	ChEMBL_1276053 (CHEMBL3088976)	Inhibition of human recombinant BACE1 using [acetyl-C(W8044Eu)-EVNLDAEFK-QSY7] as substrate by TR-FRET assay
50005776	1	ChEMBL_1276057 (CHEMBL3088980)	Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay
50005777	1	ChEMBL_1276442 (CHEMBL3088538)	Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assay
50005777	2	ChEMBL_1276443 (CHEMBL3088539)	Inhibition of human recombinant HDAC4 after 30 mins by fluorescence assay
50005777	3	ChEMBL_1276444 (CHEMBL3088540)	Inhibition of human recombinant HDAC2 after 30 mins by fluorescence assay
50005780	1	ChEMBL_1276776 (CHEMBL3089351)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liquid scintillation counting analysis
50005780	2	ChEMBL_1276773 (CHEMBL3089348)	Agonist activity at CB2 receptor (unknown origin) after 90 to 180 mins by beta-arrestin assay
50005780	3	ChEMBL_1276778 (CHEMBL3089353)	Displacement of [3H]-Win55212-2 from human CB1 receptor expressed in CHO cells preincubated for 1 hr followed by radioligand addition measured after 1 hr by liquid scintillation counting analysis
50005781	1	ChEMBL_1274850 (CHEMBL3090424)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells
50005781	2	ChEMBL_1274846 (CHEMBL3090420)	Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells
50005781	3	ChEMBL_1274848 (CHEMBL3090422)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity
50005781	4	ChEMBL_1274849 (CHEMBL3090423)	Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells
50005783	1	ChEMBL_1275064 (CHEMBL3090866)	Inhibition of human recombinant COX2 expressed in insect cell expression system using TMPD and arachidonic acid as substrate incubated for 1 min prior to substrate addition by spectrophotometry
50005783	2	ChEMBL_1275065 (CHEMBL3090867)	Inhibition of COX1 (unknown origin)
50005784	1	ChEMBL_1275613 (CHEMBL3090744)	Inhibition of Influenza A virus Udorn/72 M2 ion channel V27A mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltage clamp assay
50005784	2	ChEMBL_1275615 (CHEMBL3090746)	Inhibition of Influenza A virus Udorn/72 M2 ion channel S31N mutant expressed in Xenopus oocyte plasma membranes after 2 mins by two-electrode voltage clamp assay
50005785	1	ChEMBL_1275747 (CHEMBL3091006)	Inhibition of human recombinant PDE7A1 using [3H]AMP after 20 mins by scintillation proximity assay
50005786	1	ChEMBL_1278645 (CHEMBL3095633)	Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	2	ChEMBL_1278638 (CHEMBL3095626)	Binding affinity to human M3 E228A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	3	ChEMBL_1278639 (CHEMBL3095627)	Binding affinity to human M3 F225A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	4	ChEMBL_1278640 (CHEMBL3095628)	Binding affinity to human M3 Q224A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	5	ChEMBL_1278642 (CHEMBL3095630)	Binding affinity to human M3 E220A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	6	ChEMBL_1278644 (CHEMBL3095632)	Binding affinity to human M3 R133A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	7	ChEMBL_1278636 (CHEMBL3095624)	Binding affinity to human M3 K523A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	8	ChEMBL_1278641 (CHEMBL3095629)	Binding affinity to human M3 F222A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	9	ChEMBL_1278646 (CHEMBL3095634)	Antagonist activity at human M3 receptor expressed in CHO cells assessed as inhibition of carbachol-induced response after 30 mins by AP-1-driven luciferase reporter gene assay
50005786	10	ChEMBL_1278647 (CHEMBL3095635)	Binding affinity to human M2 receptor
50005786	11	ChEMBL_1278643 (CHEMBL3095631)	Binding affinity to human M3 K213A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005786	12	ChEMBL_1278637 (CHEMBL3095625)	Binding affinity to human M3 D518A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay
50005787	1	ChEMBL_1278936 (CHEMBL3097419)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by Scatchard plot analysis
50005787	2	ChEMBL_1278934 (CHEMBL3097234)	Displacement of [3H]NECA from adenosine A3 receptor in human HeLa cells after 180 mins
50005787	3	ChEMBL_1278938 (CHEMBL3097421)	Displacement of [3H]ZM241385 from adenosine A2A receptor in human HeLa cells after 30 mins
50005787	4	ChEMBL_1278932 (CHEMBL3097232)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins
50005788	1	ChEMBL_1279377 (CHEMBL3096356)	Inhibition of C-Raf (unknown origin) assessed as phosphorylation of MEK1 after 45 mins by TR-FRET assay
50005788	2	ChEMBL_1279378 (CHEMBL3096357)	Inhibition of MEK1 (unknown origin) assessed as phosphorylation of Erk2 preincubated for 30 mins followed by FAM-Erktide addition measured after 60 mins by IMAP fluorescence polarization assay
50005789	1	ChEMBL_1279629 (CHEMBL3097893)	Inhibition of acetylcholinesterase (unknown origin)
50005789	2	ChEMBL_1279630 (CHEMBL3097894)	Inhibition of human acetylcholinesterase
50005790	1	ChEMBL_1279834 (CHEMBL3095693)	Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
50005793	1	ChEMBL_1280542 (CHEMBL3096427)	Inhibition of HIV-1 reverse transcriptase after 1 hr by spectrophotometry
50005795	1	ChEMBL_1280549 (CHEMBL3096434)	Inhibition of trypsin (unknown origin) using benzoyl-L-arginine-p-nitroanilide hydrochloride as substrate preincubated for 5 mins before substrate addition measured after 30 mins
50005795	2	ChEMBL_1280548 (CHEMBL3096433)	Inhibition of thrombin (unknown origin) using z-Gly-Pro-Arg-4MbetaNA-acetate as substrate preincubated for 20 mins before substrate addition measured after 20 mins
50005797	1	ChEMBL_1277552 (CHEMBL3096236)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgamma binding after 30 mins by scintillation proximity assay
50005797	2	ChEMBL_1277545 (CHEMBL3096229)	Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins
50005797	3	ChEMBL_1277550 (CHEMBL3096234)	Agonist activity at human CB1 receptor expressed in Sf9 cells assessed as stimulation of [35S]GTPgamma binding incubated for 15 mins prior to [35S]GTPgamma addition measured after 35 mins by scintillation proximity assay
50005797	4	ChEMBL_1277546 (CHEMBL3096230)	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins
50005797	5	ChEMBL_1277523 (CHEMBL3096043)	Antagonist activity at CB1 receptor in rat cerebellar homogenates assessed as inhibition of CP-55,940-stimulated [35S]GTPgamma binding
50005797	6	ChEMBL_1277537 (CHEMBL3096221)	Agonist activity at CB1 receptor in rat cerebellar homogenates assessed as stimulation of [35S]GTPgamma binding
50005797	7	ChEMBL_1277525 (CHEMBL3096209)	Binding affinity to human ERG
50005797	8	ChEMBL_1277547 (CHEMBL3096231)	Inverse agonist activity at human CB1 receptor expressed in Sf9 cells assessed as stimulation of [35S]GTPgamma binding incubated for 15 mins prior to [35S]GTPgamma addition measured after 35 mins by scintillation proximity assay
50005799	1	ChEMBL_1277811 (CHEMBL3097577)	Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry
50005801	1	ChEMBL_1278507 (CHEMBL3094814)	Inhibition of HIV-1 NL4-3 wild type protease expressed in Escherichia coli preincubated for 20 mins by FRET analysis
50005804	1	ChEMBL_1278689 (CHEMBL3095867)	Inhibition of HIV-1 reverse transcriptase assessed as inhibition of biotin dUTP incorporation by primer extension assay
50005806	1	ChEMBL_1278715 (CHEMBL3096089)	Binding affinity to rat adenosine A2A receptor
50005806	2	ChEMBL_1278717 (CHEMBL3096091)	Binding affinity to human adenosine A1 receptor
50005806	3	ChEMBL_1278703 (CHEMBL3096077)	Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
50005806	4	ChEMBL_1278707 (CHEMBL3096081)	Displacement of [3H]PSB-603 from human adenosine A2B receptor
50005806	5	ChEMBL_1278706 (CHEMBL3096080)	Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum
50005806	6	ChEMBL_1278697 (CHEMBL3095875)	Inhibition of human MAO-A
50005806	7	ChEMBL_1278696 (CHEMBL3095874)	Inhibition of human MAO-B
50005806	8	ChEMBL_1278712 (CHEMBL3096086)	Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells
50005806	9	ChEMBL_1278709 (CHEMBL3096083)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex
50005806	10	ChEMBL_1278708 (CHEMBL3096082)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells
50005806	11	ChEMBL_1278713 (CHEMBL3096087)	Binding affinity to human adenosine A3 receptor
50005806	12	ChEMBL_1278720 (CHEMBL3096094)	Binding affinity to human adenosine A2A receptor
50005806	13	ChEMBL_1278716 (CHEMBL3096090)	Binding affinity to rat adenosine A1 receptor
50005806	14	ChEMBL_1278726 (CHEMBL3096100)	Binding affinity to human adenosine A2B receptor
50005806	15	ChEMBL_1278724 (CHEMBL3096098)	Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50005806	16	ChEMBL_1278721 (CHEMBL3096095)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50005806	17	ChEMBL_1278714 (CHEMBL3096088)	Binding affinity to rat adenosine A3 receptor
50005806	18	ChEMBL_1278718 (CHEMBL3096092)	Inhibition of MAO-B (unknown origin)
50005806	19	ChEMBL_1278719 (CHEMBL3096093)	Antagonist activity at rat adenosine A2A receptor
50005806	20	ChEMBL_1278722 (CHEMBL3096096)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50005806	21	ChEMBL_1278723 (CHEMBL3096097)	Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain after 60 mins by scintillation counting analysis
50005806	22	ChEMBL_1278725 (CHEMBL3096099)	Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis
50005808	1	ChEMBL_1278950 (CHEMBL3097433)	Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
50005808	2	ChEMBL_1278948 (CHEMBL3097431)	Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells
50005808	3	ChEMBL_1278953 (CHEMBL3097436)	Binding affinity to human cannabinoid CB2 receptor
50005808	4	ChEMBL_1278954 (CHEMBL3097437)	Binding affinity to human cannabinoid CB1 receptor
50005810	1	ChEMBL_1278981 (CHEMBL3097627)	Inhibition of porcine brain tubulin polymerization by turbidity assay
50005811	1	ChEMBL_1279232 (CHEMBL3095478)	Displacement of [3H]methyllycaconitine from Sprague-Dawley rat brain alpha7 nAChR after 120 mins by liquid scintillation counting analysis
50005811	2	ChEMBL_1279234 (CHEMBL3095480)	Displacement of [3H]epibatidine from Sprague-Dawley rat brain alpha4beta2 nAChR after 90 mins by liquid scintillation counting analysis
50005812	1	ChEMBL_1280813 (CHEMBL3097977)	Inhibition of MAO-B (unknown origin)
50005812	2	ChEMBL_1280812 (CHEMBL3097976)	Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method
50005812	3	ChEMBL_1280809 (CHEMBL3097973)	Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay
50005814	1	ChEMBL_1278560 (CHEMBL3095241)	Inhibition of human HER2
50005816	1	ChEMBL_1279259 (CHEMBL3095667)	Inhibition of human recombinant carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50005816	2	ChEMBL_1279258 (CHEMBL3095666)	Inhibition of human recombinant carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50005816	3	ChEMBL_1279256 (CHEMBL3095664)	Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50005816	4	ChEMBL_1279257 (CHEMBL3095665)	Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay
50005819	1	ChEMBL_1279537 (CHEMBL3097256)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50005819	2	ChEMBL_1279536 (CHEMBL3097255)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50005819	3	ChEMBL_1279535 (CHEMBL3097254)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50005819	4	ChEMBL_1279534 (CHEMBL3097253)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50005819	5	ChEMBL_1279533 (CHEMBL3097252)	Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay
50005820	1	ChEMBL_1279930 (CHEMBL3096389)	Binding affinity to AT2 receptor (unknown origin)
50005820	2	ChEMBL_1279931 (CHEMBL3096390)	Binding affinity to AT1 receptor (unknown origin)
50005822	1	ChEMBL_1280444 (CHEMBL3095756)	Inhibition of HDAC1 (unknown origin)
50005824	1	ChEMBL_1280662 (CHEMBL3097103)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain after 120 mins by liquid scintillation counting analysis
50005824	2	ChEMBL_1280655 (CHEMBL3097096)	Displacement of [3H]paroxetine from serotonin transporter in rat brainstem after 120 mins by liquid scintillation counting analysis
50005824	3	ChEMBL_1280656 (CHEMBL3097097)	Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain after 120 mins by liquid scintillation counting analysis
50005824	4	ChEMBL_1280657 (CHEMBL3097098)	Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain after 120 mins by liquid scintillation counting analysis
50005824	5	ChEMBL_1280659 (CHEMBL3097100)	Displacement of [3H]WIN 35428 from dopamine transporter in rat striatum after 120 mins by liquid scintillation counting analysis
50005825	1	ChEMBL_1277665 (CHEMBL3096907)	Inhibition of recombinant His-tagged PDE4B1 (unknown origin) expressed in insect Sf9 cells using cAMP as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by luminescence assay
50005826	1	ChEMBL_1278081 (CHEMBL3095579)	Inhibition of t-type Cav3.1 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of 50 ms depolarizing voltage step-induced current by whole cell patch-clamp method
50005827	1	ChEMBL_1278087 (CHEMBL3095585)	Agonist activity at mu opioid receptor in guinea pig ileum
50005827	2	ChEMBL_1278088 (CHEMBL3095586)	Displacement of [3H]DAMGO from Wistar rat brain mu opioid receptor by liquid scintillation counting analysis
50005828	1	ChEMBL_1278260 (CHEMBL3096732)	Displacement of [3H]astemizole from human ERG channel expressed in HEK293 cell membrane after 1 hr by scintillation counting analysis
50005828	2	ChEMBL_1278259 (CHEMBL3096731)	Inhibition of human ERG channel expressed in HEK293 cells after 15 mins by whole-cell patch clamp technique
50005830	1	ChEMBL_1278265 (CHEMBL3096737)	Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry
50005830	2	ChEMBL_1278263 (CHEMBL3096735)	Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to substrate addition measured for 5 mins by spectrophotometry
50005831	1	ChEMBL_1278436 (CHEMBL3097834)	Inhibition of human recombinant PDE10A using [3H]-cAMP/[3H]-cGMP as substrate after 30 mins by radiometric assay
50005832	1	ChEMBL_1278604 (CHEMBL3095435)	Inhibition of SERT (unknown origin) assessed as inhibition of serotonin uptake
50005832	2	ChEMBL_1278612 (CHEMBL3095443)	Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis
50005832	3	ChEMBL_1278605 (CHEMBL3095436)	Allosteric modulation at wild-type human SERT site S2 expressed in african green monkey COS7 cells assessed as inhibition of [3H]citalopram dissociation at 30 uM by scintillation counting analysis
50005833	1	ChEMBL_1279557 (CHEMBL3097470)	Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay
50005833	2	ChEMBL_1279548 (CHEMBL3097461)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay
50005834	1	ChEMBL_1279770 (CHEMBL3095331)	Inhibition of recombinant HIV1 reverse transcriptase using poly rA:dT as template/primer after 1 hr by ELISA
50005835	1	ChEMBL_1280036 (CHEMBL3097044)	Inhibition of gelatinase A (unknown origin) after 30 mins by spectrophotometry
50005836	1	ChEMBL_1280517 (CHEMBL3096191)	Inhibition of influenza A virus A/duck/China/QJ/01(H5N1) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate addition measured after 30 to 60 mins by fluorescence assay
50005836	2	ChEMBL_1280675 (CHEMBL3097308)	Inhibition of Influenza A virus (A/Chicken/Shandong/LY/08(H9N2)) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate addition measured after 30 to 60 mins by fluorescence assay
50005836	3	ChEMBL_1280516 (CHEMBL3096190)	Non competitive inhibition of Influenza A virus (A/Chicken/Shandong/LY/08(H9N2)) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate addition measured after 30 to 60 mins by Lineweaver-Burk plot analysis
50005836	4	ChEMBL_1280515 (CHEMBL3096189)	Non competitive inhibition of influenza A virus A/duck/China/QJ/01(H5N1) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to substrate addition measured after 30 to 60 mins by Lineweaver-Burk plot analysis
50005837	1	ChEMBL_1280677 (CHEMBL3097310)	Displacement of [3H]paroxetine from SERT in rat cortical membranes after 6 mins by liquid scintillation counting
50005837	2	ChEMBL_1280676 (CHEMBL3097309)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells
50005838	1	ChEMBL_1280722 (CHEMBL3097531)	Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]GTPgammaS binding assay
50005838	2	ChEMBL_1280730 (CHEMBL3097539)	Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analysis
50005838	3	ChEMBL_1280731 (CHEMBL3097540)	Displacement of [3H]-DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analysis
50005838	4	ChEMBL_1280729 (CHEMBL3097538)	Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis
50005838	5	ChEMBL_1280724 (CHEMBL3097533)	Agonist activity at human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by [35S]GTPgammaS binding assay
50005838	6	ChEMBL_1280726 (CHEMBL3097535)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by [35S]GTPgammaS binding assay
50005839	1	ChEMBL_1277453 (CHEMBL3095776)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins followed by enzyme addition measured after 20 mins by microplate reader analysis
50005839	2	ChEMBL_1277452 (CHEMBL3095775)	Mixed inhibition of mushroom tyrosinase using L-tyrosine as substrate by Dixon/Cornish-Bowden plot analysis
50005839	3	ChEMBL_1277450 (CHEMBL3095773)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate by Dixon plot analysis
50005839	4	ChEMBL_1277451 (CHEMBL3095774)	Uncompetitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Dixon/Cornish-Bowden plot analysis
50005840	1	ChEMBL_1281035 (CHEMBL3100173)	Inhibition of human ERG expressed in CHO cells
50005841	1	ChEMBL_1281575 (CHEMBL3102260)	Inhibition of HIV-1 6His-tagged reverse transcriptase p66/p51-mediated TTP incorporation into D23/D36 primer/template preincubated for 15 mins followed by D23/D36 primer/template and TTP addition measured after 15 mins by PAGE analysis
50005842	1	ChEMBL_1283316 (CHEMBL3101581)	Inhibition of IMPDH1 (unknown origin)
50005842	2	ChEMBL_1283317 (CHEMBL3101582)	Inhibition of IMPDH2 (unknown origin)
50005844	1	ChEMBL_1281238 (CHEMBL3100973)	Inhibition of wild-type HIV1 reverse transcriptase assessed as incorporation of biotin-labeled dUTP
50005846	1	ChEMBL_1281628 (CHEMBL3102438)	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay
50005846	2	ChEMBL_1281629 (CHEMBL3102439)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50005846	3	ChEMBL_1281626 (CHEMBL3102436)	Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay
50005846	4	ChEMBL_1281627 (CHEMBL3102437)	Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50005846	5	ChEMBL_1281630 (CHEMBL3102440)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50005848	1	ChEMBL_1281946 (CHEMBL3101344)	Binding affinity to human CB1 receptor
50005848	2	ChEMBL_1281945 (CHEMBL3101343)	Agonist activity at human CB2 receptor expressed in CHO CRE-luc cells
50005848	3	ChEMBL_1281947 (CHEMBL3101345)	Binding affinity to human CB2 receptor expressed in CHO cells
50005848	4	ChEMBL_1281948 (CHEMBL3101346)	Binding affinity to human CB2 receptor
50005850	1	ChEMBL_1281949 (CHEMBL3101347)	Inhibition of HIV1 integrase
50005851	1	ChEMBL_1282340 (CHEMBL3100391)	Inhibition of HDAC in human HeLa cell nuclear extract using fluor de Lys as substrate after 15 mins by fluorimetric analysis
50005852	1	ChEMBL_1282509 (CHEMBL3101062)	Inhibition of human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	2	ChEMBL_1282516 (CHEMBL3101069)	Inhibition of human CA3 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	3	ChEMBL_1282513 (CHEMBL3101066)	Inhibition of human CA6 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	4	ChEMBL_1282508 (CHEMBL3101061)	Inhibition of human CA14 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	5	ChEMBL_1282514 (CHEMBL3101067)	Inhibition of human CA4 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	6	ChEMBL_1282511 (CHEMBL3101064)	Inhibition of human CA9 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	7	ChEMBL_1282515 (CHEMBL3101068)	Inhibition of human mitochondrial CA5A preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	8	ChEMBL_1282517 (CHEMBL3101070)	Inhibition of human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	9	ChEMBL_1282518 (CHEMBL3101071)	Inhibition of human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	10	ChEMBL_1282510 (CHEMBL3101063)	Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration method
50005852	11	ChEMBL_1282512 (CHEMBL3101065)	Inhibition of human CA7 preincubated for 15 mins by stopped-flow CO2 hydration method
50005853	1	ChEMBL_1282730 (CHEMBL3102027)	Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay
50005853	3	ChEMBL_1282735 (CHEMBL3102032)	Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assay
50005854	1	ChEMBL_1282831 (CHEMBL3102332)	Inhibition of VEGFR2 (unknown origin) after 30 mins by HTRF assay
50005857	1	ChEMBL_1282952 (CHEMBL3102681)	Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay
50005859	1	ChEMBL_1283081 (CHEMBL3100637)	Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis
50005859	2	ChEMBL_1283080 (CHEMBL3100636)	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as stimulation of cAMP accumulation
50005859	3	ChEMBL_1283082 (CHEMBL3100638)	Displacement of [3H]-CGP-12177 from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis
50005860	1	ChEMBL_1281537 (CHEMBL3102103)	Inhibition of p38 (unknown origin)
50005860	2	ChEMBL_1281650 (CHEMBL3102587)	Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 mins by HTRF assay
50005860	3	ChEMBL_1281539 (CHEMBL3102105)	Inhibition of JNK1 (unknown origin)
50005862	1	ChEMBL_1281694 (CHEMBL3100232)	Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry
50005862	2	ChEMBL_1281695 (CHEMBL3100233)	Inhibition of human recombinant COX2 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry
50005863	1	ChEMBL_1281697 (CHEMBL3100235)	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as dopachrome formation after 5 mins by spectrophotometry
50005864	1	ChEMBL_1281844 (CHEMBL3100864)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells
50005865	1	ChEMBL_1282027 (CHEMBL3101678)	Displacement of [3H]-DPCPX from rat brain membrane adenosine A1 receptor
50005866	1	ChEMBL_1282048 (CHEMBL3101837)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50005866	2	ChEMBL_1282049 (CHEMBL3101838)	Inhibition of human carbonic anhydrase 1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay
50005867	1	ChEMBL_1282229 (CHEMBL3102454)	Displacement of [125I]-somatostatin from human SSTR5 expressed in CHO-K1 cells
50005867	2	ChEMBL_1282231 (CHEMBL3102456)	Displacement of [125I]-somatostatin from human SSTR3 expressed in CHO-K1 cells
50005867	3	ChEMBL_1282230 (CHEMBL3102455)	Displacement of [125I]-somatostatin from human SSTR4 expressed in CHO-K1 cells
50005867	4	ChEMBL_1282232 (CHEMBL3102457)	Displacement of [125I]-somatostatin from human SSTR2 expressed in CHO-K1 cells
50005867	5	ChEMBL_1282233 (CHEMBL3102458)	Displacement of [125I]-somatostatin from human SSTR1 expressed in CHO-K1 cells
50005868	1	ChEMBL_1282239 (CHEMBL3102464)	Inhibition of human HDAC3/NCOR2 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	2	ChEMBL_1282240 (CHEMBL3102465)	Inhibition of human HDAC2 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	3	ChEMBL_1282241 (CHEMBL3102466)	Inhibition of human HDAC1 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	4	ChEMBL_1282238 (CHEMBL3102463)	Inhibition of human HDAC6 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	5	ChEMBL_1282235 (CHEMBL3102460)	Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	6	ChEMBL_1282237 (CHEMBL3102462)	Inhibition of human HDAC10 using RHKK(Ac) as substrate by fluorimetric analysis
50005868	7	ChEMBL_1282236 (CHEMBL3102461)	Inhibition of human HDAC8 using RHK(Ac)K(Ac) as substrate by fluorimetric analysis
50005869	1	ChEMBL_1282411 (CHEMBL3100590)	Inhibition of HER2 (unknown origin) by ADP-Glo assay
50005870	1	ChEMBL_1284417 (CHEMBL3106145)	Agonist activity at human S1P3R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
50005870	2	ChEMBL_1284418 (CHEMBL3106146)	Agonist activity at human S1P2R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
50005870	3	ChEMBL_1284419 (CHEMBL3106147)	Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
50005870	4	ChEMBL_1284415 (CHEMBL3106143)	Agonist activity at human S1P5R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
50005870	5	ChEMBL_1284416 (CHEMBL3106144)	Agonist activity at human S1P4R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
50005874	1	ChEMBL_1284592 (CHEMBL3106920)	Inhibition of N-terminal 6 X His-tagged recombinant human full length Casein Kinase 2 alpha subunit expressed in Sf21 insect cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate preincubated for 20 mins measured after 90 mins by fluorescence-based assay
50005875	1	ChEMBL_1284595 (CHEMBL3106923)	Agonist activity at human PPARdelta ligand binding domain expressed in monkey COS7 cells cotransfected with Gal4 by luciferase reporter gene assay
50005875	2	ChEMBL_1284596 (CHEMBL3106924)	Agonist activity at human PPARgamma ligand binding domain expressed in monkey COS7 cells cotransfected with Gal4 by luciferase reporter gene assay
50005875	3	ChEMBL_1284597 (CHEMBL3106925)	Agonist activity at human PPARalpha ligand binding domain expressed in monkey COS7 cells cotransfected with Gal4 by luciferase reporter gene assay
50005876	1	ChEMBL_1284966 (CHEMBL3108547)	Modulation of p-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversal of paclitaxel resistance
50005877	1	ChEMBL_1285656 (CHEMBL3106615)	Displacement of [3H]Imipramin from human NET after 2 hrs by liquid scintillation counting analysis
50005877	2	ChEMBL_1285651 (CHEMBL3106446)	Binding affinity to SERT (unknown origin)
50005877	3	ChEMBL_1285653 (CHEMBL3106448)	Binding affinity to DAT (unknown origin)
50005877	4	ChEMBL_1285652 (CHEMBL3106447)	Binding affinity to NET (unknown origin)
50005877	5	ChEMBL_1285655 (CHEMBL3106614)	Displacement of [3H]Nisoxetine from human SERT after 2 hrs by liquid scintillation counting analysis
50005877	6	ChEMBL_1285657 (CHEMBL3106616)	Displacement of [3H]WIN35428 from human DAT after 2 hrs by liquid scintillation counting analysis
50005878	1	ChEMBL_1285978 (CHEMBL3106285)	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting analysis
50005878	2	ChEMBL_1285979 (CHEMBL3106286)	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain by scintillation counting analysis
50005878	3	ChEMBL_1285977 (CHEMBL3106284)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting analysis
50005878	4	ChEMBL_1285973 (CHEMBL3106280)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins
50005879	1	ChEMBL_1283436 (CHEMBL3107030)	Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay
50005879	2	ChEMBL_1283437 (CHEMBL3107031)	Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay
50005879	3	ChEMBL_1283438 (CHEMBL3107032)	Inhibition of human CA1 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay
50005879	4	ChEMBL_1285981 (CHEMBL3106288)	Inhibition of CA9 (unknown origin)
50005879	5	ChEMBL_1283435 (CHEMBL3107029)	Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay
50005881	1	ChEMBL_1283600 (CHEMBL3107752)	Inhibition of CYP3A4 in human liver microsomes assessed as 6beta-hydroxylation of testosterone
50005883	1	ChEMBL_1284657 (CHEMBL3107238)	Antagonist activity at human recombinant CXCR2 receptor expressed in CHO cells assessed as inhibition of IL8-induced [35S]GTPgammaS binding by SPA method
50005883	2	ChEMBL_1284658 (CHEMBL3107239)	Displacement of [125I]GRO-alpha from human recombinant CXCR2 receptor expressed in CHO cells
50005884	1	ChEMBL_1284659 (CHEMBL3107240)	Activation of PKCdelta (unknown origin) after 40 mins
50005885	1	ChEMBL_1284697 (CHEMBL3107397)	Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by FRET assay
50005885	2	ChEMBL_1284696 (CHEMBL3107396)	Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by FRET assay in presence of GSH
50005885	3	ChEMBL_1284687 (CHEMBL3107387)	Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-substrate-inhibitor complex by Dixon plot analysis
50005885	4	ChEMBL_1284689 (CHEMBL3107389)	Competitive inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by Dixon plot analysis
50005885	5	ChEMBL_1284693 (CHEMBL3107393)	Binding affinity to SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by SPR analysis
50005885	6	ChEMBL_1284810 (CHEMBL3107833)	Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate
50005885	7	ChEMBL_1284688 (CHEMBL3107388)	Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-inhibitor complex by Dixon plot analysis
50005886	1	ChEMBL_1285200 (CHEMBL3107131)	Inhibition of recombinant human BACE1 using (7-methoxycoumarin-4-yl)acetyl-SEVNL*DAEFRK(2,4-dinitrophenyl)-RR-NH2) as substrate by FRET assay
50005887	1	ChEMBL_1285221 (CHEMBL3107152)	Inhibition of recombinant BACE1 (unknown origin)
50005888	1	ChEMBL_1286093 (CHEMBL3106691)	Inhibition of ovine COX2 using arachidonic acid as substrate by chemiluminescence assay
50005888	2	ChEMBL_1286092 (CHEMBL3106690)	Inhibition of ovine COX1 using arachidonic acid as substrate by chemiluminescence assay
50005889	1	ChEMBL_1283662 (CHEMBL3108094)	Irreversible inhibition of recombinant human cathepsin L using Z-Phe-Arg-aminomethylcoumarin as substrate
50005889	2	ChEMBL_1283668 (CHEMBL3108100)	Inhibition of human Cathepsin H using Arg-aminomethylcoumarin as substrate
50005889	3	ChEMBL_1283673 (CHEMBL3108105)	Inhibition of recombinant human Cathepsin L using Z-Phe-Arg-aminomethylcoumarin as substrate preincubated for 30 mins followed by substrate addition
50005889	4	ChEMBL_1283667 (CHEMBL3108099)	Inhibition of human Cathepsin H using Arg-aminomethylcoumarin as substrate preincubated for 30 mins followed by substrate addition
50005889	5	ChEMBL_1283669 (CHEMBL3108101)	Inhibition of human Cathepsin B using Z-Phe-Arg-aminomethylcoumarin as substrate preincubated for 30 mins followed by substrate addition
50005889	6	ChEMBL_1283670 (CHEMBL3108102)	Inhibition of human Cathepsin B using Z-Phe-Arg-aminomethylcoumarin as substrate
50005889	7	ChEMBL_1283674 (CHEMBL3108106)	Inhibition of recombinant human Cathepsin L using Z-Phe-Arg-aminomethylcoumarin as substrate
50005889	8	ChEMBL_1283671 (CHEMBL3108103)	Inhibition of human Cathepsin V using Z-Phe-Arg-aminomethylcoumarin as substrate preincubated for 30 mins followed by substrate addition
50005889	9	ChEMBL_1283672 (CHEMBL3108104)	Inhibition of human Cathepsin V using Z-Phe-Arg-aminomethylcoumarin as substrate
50005890	1	ChEMBL_1283869 (CHEMBL3106320)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50005890	2	ChEMBL_1283866 (CHEMBL3106317)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis
50005890	3	ChEMBL_1283865 (CHEMBL3106316)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis
50005890	4	ChEMBL_1283875 (CHEMBL3106326)	Binding affinity to delta opioid receptor (unknown origin)
50005890	5	ChEMBL_1283867 (CHEMBL3106318)	Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by liquid scintillation counting analysis
50005890	6	ChEMBL_1283864 (CHEMBL3106315)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis
50005890	7	ChEMBL_1283874 (CHEMBL3106325)	Binding affinity to kappa opioid receptor (unknown origin)
50005890	8	ChEMBL_1283873 (CHEMBL3106324)	Binding affinity to mu opioid receptor (unknown origin)
50005891	1	ChEMBL_1284217 (CHEMBL3107812)	Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay
50005892	1	ChEMBL_1284702 (CHEMBL3107402)	Inhibition of COX-2 in human whole blood assessed as prostaglandin E2 production by RIA
50005892	2	ChEMBL_1284704 (CHEMBL3107404)	Inhibition of COX-1 in human whole blood assessed as thromboxane B2 production by RIA
50005892	3	ChEMBL_1284732 (CHEMBL3107541)	Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15 mins followed by substrate addition measured after 30 mins by RIA
50005892	4	ChEMBL_1284733 (CHEMBL3107542)	Inhibition of COX-1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincubated for 15 mins followed by substrate addition measured after 30 mins by RIA
50005894	1	ChEMBL_1284750 (CHEMBL3107647)	Inhibition of Influenza A virus A/Hong Kong/8/1968 (H3N2) neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs
50005894	2	ChEMBL_1284749 (CHEMBL3107558)	Inhibition of Influenza A virus A/California/07/2009 (H1N1) neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs
50005894	3	ChEMBL_1284753 (CHEMBL3107650)	Inhibition of Influenza A virus H3N2 neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs
50005894	4	ChEMBL_1284877 (CHEMBL3108178)	Inhibition of Influenza A virus H5N1 neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs
50005898	1	ChEMBL_1285778 (CHEMBL3107902)	Binding affinity to full length His-tagged Escherichia coli MG1665 SPase 1 expressed in Escherichia coli BL21 (DE3)
50005898	2	ChEMBL_1285777 (CHEMBL3107901)	Binding affinity to full length His-tagged Escherichia coli PAS0232 SPase 1 P84S mutant expressed in Escherichia coli BL21 (DE3)
50005899	1	ChEMBL_1283725 (CHEMBL3108305)	Inhibition of Escherichia coli thymidine phosphorylase using thymidine 5' mono phosphate as substrate after 10 mins by spectrophotometric analysis
50005901	1	ChEMBL_1283914 (CHEMBL3106527)	Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15 mins by Dixon plot analysis
50005901	2	ChEMBL_1283915 (CHEMBL3106528)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15 mins by spectrophotometry
50005901	3	ChEMBL_1283913 (CHEMBL3106526)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15 mins by spectrophotometry
50005901	4	ChEMBL_1283912 (CHEMBL3106525)	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15 mins by Dixon plot analysis
50005902	1	ChEMBL_1283917 (CHEMBL3106530)	Inhibition of Escherichia coli LpxC using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetylglucosamine as substrate incubated for 30 mins prior to enzyme addition by fluorescence assay
50005904	1	ChEMBL_1286911 (CHEMBL3110825)	Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells after 120 mins
50005904	2	ChEMBL_1286910 (CHEMBL3110824)	Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells after 120 mins
50005905	1	ChEMBL_1286961 (CHEMBL3111126)	Binding affinity to N-terminal 6xHis-tagged human recombinant FGFR1 (458 to 765) by isothermal titration calorimetric analysis
50005905	2	ChEMBL_1286960 (CHEMBL3111125)	Binding affinity to N-terminal 6xHis-tagged human recombinant FGFR1 (458 to 765) by surface plasmon resonance analysis
50005905	3	ChEMBL_1286962 (CHEMBL3111127)	Inhibition of N-terminal GST-tagged human recombinant FGFR1 (456 to 765) after 40 mins by mobility shift assay
50005906	1	ChEMBL_1287126 (CHEMBL3111915)	Inhibition of human TNKS2 after 1 to 2 hrs by fluorescence polarization method
50005906	2	ChEMBL_1287124 (CHEMBL3111913)	Inhibition of human TNKS2 incubated for 30 mins prior to substrate addition measured after 2 hrs by HTRF method
50005906	3	ChEMBL_1287125 (CHEMBL3111914)	Inhibition of human TNKS1 incubated for 30 mins prior to substrate addition measured after 2 hrs by HTRF method
50005906	4	ChEMBL_1287127 (CHEMBL3111916)	Inhibition of human TNKS1 after 1 to 2 hrs by fluorescence polarization method
50005908	1	ChEMBL_1287342 (CHEMBL3111172)	Inhibition of human p38-MAPK
50005908	2	ChEMBL_1287343 (CHEMBL3111173)	Inhibition of p38alpha (unknown origin)
50005909	1	ChEMBL_1286431 (CHEMBL3112019)	Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration by stopped-flow assay
50005909	2	ChEMBL_1286430 (CHEMBL3112018)	Inhibition of human recombinant carbonic anhydrase-2-mediated CO2 hydration by stopped-flow assay
50005913	1	ChEMBL_1286625 (CHEMBL3111100)	Inhibition of CDK2/Cyclin A (unknown origin)
50005913	2	ChEMBL_1286622 (CHEMBL3111097)	Inhibition of CDK1/Cyclin B (unknown origin)
50005914	1	ChEMBL_1286630 (CHEMBL3111105)	Binding affinity to human BAZ2B expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analysis
50005914	2	ChEMBL_1286636 (CHEMBL3111111)	Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaLISA assay
50005914	3	ChEMBL_1286637 (CHEMBL3111112)	Displacement of biotinylated H3Kac14 peptide from His6-tagged human BAZ2B expressed in Escherichia coli BL21(DE3) after 30 mins by AlphaScreen assay
50005914	4	ChEMBL_1286631 (CHEMBL3111106)	Binding affinity to human BAZ2B expressed in Escherichia coli BL21(DE3) by direct isothermal titration calorimetric analysis
50005915	1	ChEMBL_1286645 (CHEMBL3111120)	Inhibition of HDAC2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric analysis
50005915	2	ChEMBL_1286782 (CHEMBL3111887)	Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mass spectrometric analysis
50005915	3	ChEMBL_1286783 (CHEMBL3111888)	Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric analysis
50005915	4	ChEMBL_1286786 (CHEMBL3111891)	Inhibition of HDAC1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mass spectrometric analysis
50005916	1	ChEMBL_1286801 (CHEMBL3112046)	Inhibition of ABCG2-mediated mitoxantrone efflux in mitoxantrone-selected human H460 cells after 30 mins by flow cytometric analysis
50005916	2	ChEMBL_1286800 (CHEMBL3112045)	Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux expressed in HEK293 cells after 30 mins by flow cytometric analysis
50005916	3	ChEMBL_1286789 (CHEMBL3111894)	Inhibition of human ABCG2 expressed in Sf9 insect cell membranes assessed as inhibition of quercetin-stimulated ATPase activity after 30 mins by colorimetric analysis in presence of sodium orthovanadate
50005917	1	ChEMBL_1286814 (CHEMBL3112059)	Inhibition of human recombinant VAP-1 transfected in CHO cells using 2,4-dichlorophenol/benzylamine as substrate incubated for 30 mins prior to benzylamine addition measured after 1 hr by spectrophotometry
50005917	2	ChEMBL_1286805 (CHEMBL3112050)	Binding affinity to human recombinant VAP-1 by surface plasmon resonance analysis
50005918	1	ChEMBL_1286940 (CHEMBL3110983)	Activation of human GLP-1 receptor overexpressed in HEK293 cells assessed as cAMP accumulation after 20 mins by HTRF assay
50005919	1	ChEMBL_1287025 (CHEMBL3111336)	Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay
50005919	2	ChEMBL_1287022 (CHEMBL3111333)	Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay
50005919	3	ChEMBL_1287023 (CHEMBL3111334)	Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay
50005919	4	ChEMBL_1287019 (CHEMBL3111330)	Displacement of H3K14(Ac) peptide from TIF1alpha bromodomain (unknown origin) by AlphaScreen assay
50005919	5	ChEMBL_1287020 (CHEMBL3111331)	Displacement of H3K14(Ac) peptide from PB1-5 bromodomain (unknown origin) by AlphaScreen assay
50005919	6	ChEMBL_1287024 (CHEMBL3111335)	Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay
50005919	7	ChEMBL_1287021 (CHEMBL3111332)	Displacement of H3K14(Ac) peptide from BAZ2B bromodomain (unknown origin) by AlphaScreen assay
50005920	1	ChEMBL_1287043 (CHEMBL3111508)	Antagonist activity at P2X7 receptor (unknown origin)
50005923	1	ChEMBL_1287139 (CHEMBL3111928)	Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA
50005923	2	ChEMBL_1287140 (CHEMBL3111929)	Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay
50005923	3	ChEMBL_1287141 (CHEMBL3112066)	Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay
50005923	4	ChEMBL_1287050 (CHEMBL3111515)	Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR2 domain (R214 to P260) (unknown origin) after 20 mins by fluorescence polarization assay
50005923	5	ChEMBL_1287051 (CHEMBL3111516)	Displacement of AbuRPFK-5FAM from GST-tagged cIAP2 BIR3 domain (I235 to A336) (unknown origin) after 20 mins by fluorescence polarization assay
50005923	6	ChEMBL_1287142 (CHEMBL3112067)	Inhibition of GST-tagged XIAP BIR3 domain (unknown origin)-biotinylated Smac 7-mer peptide interaction by fluorescent microvolume assay
50005925	1	ChEMBL_1287192 (CHEMBL3112249)	Inhibition of PHD2 (unknown origin) by mass spectrometry
50005925	2	ChEMBL_1287258 (CHEMBL3110469)	Inhibition of recombinant JMJD1A (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005925	3	ChEMBL_1287257 (CHEMBL3110468)	Inhibition of recombinant JMJD2C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005925	4	ChEMBL_1287195 (CHEMBL3112252)	Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005925	5	ChEMBL_1287259 (CHEMBL3110470)	Inhibition of recombinant FBXL11 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005925	6	ChEMBL_1287262 (CHEMBL3110842)	Inhibition of human recombinant His-tagged LSD1 (171 to 836) assessed as hydrogen peroxide formation after 5 mins
50005925	7	ChEMBL_1287193 (CHEMBL3112250)	Inhibition of FIH (unknown origin) by mass spectrometry
50005925	8	ChEMBL_1287261 (CHEMBL3110841)	Inhibition of human recombinant MAO-A expressed in Pichia pastoris using kynuramine as substrate after 5 mins
50005925	9	ChEMBL_1287194 (CHEMBL3112251)	Inhibition of recombinant JMJD3 (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005925	10	ChEMBL_1287260 (CHEMBL3110840)	Inhibition of human recombinant MAO-B expressed in Pichia pastoris using benzylamine as substrate after 5 mins
50005925	11	ChEMBL_1287196 (CHEMBL3112253)	Inhibition of recombinant JMJD2E (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method
50005926	1	ChEMBL_1287294 (CHEMBL3111002)	Inhibition of CYP3A4 (unknown origin) by fluorescence assay
50005926	2	ChEMBL_1287299 (CHEMBL3111007)	Inhibition of 17-beta HSD1 in human T47D cells assessed as transformation of [14C]E1 to [14C]E2 after 24 hrs by thin layer chromatography
50005926	3	ChEMBL_1287298 (CHEMBL3111006)	Inhibition of 17-beta HSD1 in human T47D cells
50005927	1	ChEMBL_1287366 (CHEMBL3111348)	Inhibition of human recombinant DNMT1 expressed in H19 cells assessed as inhibition of tritiated methyl incorporation from [3H]-labeled AdoMet into hemimethylated DNA duplex after 2 hrs by liquid scintillation counting analysis
50005930	1	ChEMBL_1287395 (CHEMBL3111377)	Inhibition of human recombinant AKR1B1 expressed in Escherichia coli using DL-glyceraldehyde as substrate after 5 mins by spectrophotometry
50005931	1	ChEMBL_1287541 (CHEMBL3112127)	Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay
50005931	2	ChEMBL_1287540 (CHEMBL3112126)	Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay
50005931	3	ChEMBL_1287543 (CHEMBL3112129)	Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay
50005931	4	ChEMBL_1287542 (CHEMBL3112128)	Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay
50005932	1	ChEMBL_1287610 (CHEMBL3110492)	Activation of rat TAAR1 transmembrane domain 6 Met268(6.55)Thr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005932	2	ChEMBL_1287611 (CHEMBL3110493)	Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005932	3	ChEMBL_1287608 (CHEMBL3110490)	Activation of rat TAAR1 transmembrane domain 7 Asn287(7.39)Tyr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005932	4	ChEMBL_1287607 (CHEMBL3110489)	Activation of mouse TAAR1 transmembrane domain 7 Tyr287(7.39)Asn mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005932	5	ChEMBL_1287609 (CHEMBL3110491)	Activation of mouse TAAR1 transmembrane domain 6 Thr268(6.55)Met mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005932	6	ChEMBL_1287612 (CHEMBL3110494)	Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay
50005933	1	ChEMBL_1287616 (CHEMBL3110872)	Inhibition of MMP13 (unknown origin)
50005935	1	ChEMBL_1287641 (CHEMBL3110897)	Competitive inhibition of ER-alpha (unknown origin) ligand binding pocket expressed in ER-negative human SKBR3 cells coexpressing ERE using estradiol as substrate
50005935	2	ChEMBL_1287642 (CHEMBL3110898)	Mixed-type inhibition of ER-alpha (unknown origin) expressed in ER-negative human SKBR3 cells coexpressing ERE using estradiol as substrate
50005936	1	ChEMBL_1286328 (CHEMBL3111455)	Inhibition of topoisomerase-2 (unknown origin)
50005937	1	ChEMBL_1290434 (CHEMBL3119343)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver homogenate after 120 mins by liquid scintillation counting
50005938	1	ChEMBL_1290697 (CHEMBL3117500)	Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells
50005939	1	ChEMBL_1290915 (CHEMBL3118888)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in HEK293-EBNA cells after 120 mins
50005939	2	ChEMBL_1290914 (CHEMBL3118887)	Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 mins
50005939	3	ChEMBL_1290916 (CHEMBL3118889)	Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins
50005939	4	ChEMBL_1290905 (CHEMBL3118687)	Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins by Scatchard plot analysis
50005939	5	ChEMBL_1290919 (CHEMBL3118892)	Binding affinity to rat 5HT7 receptor
50005941	1	ChEMBL_1291174 (CHEMBL3116663)	Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50005941	2	ChEMBL_1291175 (CHEMBL3116664)	Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50005941	3	ChEMBL_1291176 (CHEMBL3116665)	Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50005941	4	ChEMBL_1291177 (CHEMBL3116666)	Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50005943	1	ChEMBL_1291396 (CHEMBL3118005)	Inhibition of human recombinant cytosolic carbonic anhydrase 2 after 6 hrs by stopped flow CO2 hydration method
50005943	2	ChEMBL_1291394 (CHEMBL3118003)	Inhibition of human recombinant transmembrane carbonic anhydrase 12 after 6 hrs by stopped flow CO2 hydration method
50005943	3	ChEMBL_1291395 (CHEMBL3118004)	Inhibition of human recombinant transmembrane carbonic anhydrase 9 after 6 hrs by stopped flow CO2 hydration method
50005943	4	ChEMBL_1291397 (CHEMBL3118006)	Inhibition of human recombinant cytosolic carbonic anhydrase 1 after 6 hrs by stopped flow CO2 hydration method
50005944	1	ChEMBL_1291660 (CHEMBL3119407)	Displacement of [3H]-HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis
50005944	2	ChEMBL_1291663 (CHEMBL3119410)	Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis
50005944	3	ChEMBL_1291662 (CHEMBL3119409)	Displacement of [3H]-NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis
50005944	4	ChEMBL_1291661 (CHEMBL3119408)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity after 20 mins in presence of [alpha-32P]ATP
50005945	1	ChEMBL_1291676 (CHEMBL3119423)	Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins
50005945	2	ChEMBL_1291672 (CHEMBL3119419)	Inverse agonist activity at human CB2 receptor expressed in CHO membranes by [35S]GTPgammaS binding assay
50005945	3	ChEMBL_1291673 (CHEMBL3119420)	Agonist activity at human CB2 receptor expressed in CHO membranes by [35S]GTPgammaS binding assay
50005945	4	ChEMBL_1291677 (CHEMBL3119424)	Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins
50005945	5	ChEMBL_1291674 (CHEMBL3119421)	Agonist activity at CB1 receptor in rat cerebellar membranes by [35S]GTPgammaS binding assay
50005946	1	ChEMBL_1291686 (CHEMBL3119640)	Inhibition of HDAC1/2 in human HeLa cell extracts using acetylated histone peptide as substrate after 30 mins
50005949	1	ChEMBL_1288420 (CHEMBL3118272)	Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay
50005949	2	ChEMBL_1288419 (CHEMBL3118271)	Inhibition of ovine COX2 by peroxidase activity-based colorimetric assay
50005949	3	ChEMBL_1288415 (CHEMBL3118267)	Inhibition of human monocyte COX2 by whole blood assay
50005949	4	ChEMBL_1288416 (CHEMBL3118268)	Inhibition of human platelet COX1 by whole blood assay
50005949	5	ChEMBL_1288417 (CHEMBL3118269)	Inhibition of COX1 in human OVCAR3 cells using [14C]arachidonic acid as substrate preincubated for 30 mins before substrate addition by radioactivity scanning technique
50005951	1	ChEMBL_1289588 (CHEMBL3117907)	Inhibition of Bacillus subtilis 168 PBP5 after 30 mins by SDS-PAGE
50005951	2	ChEMBL_1289589 (CHEMBL3117908)	Inhibition of Bacillus subtilis 168 PBP4 after 30 mins by SDS-PAGE
50005951	3	ChEMBL_1289590 (CHEMBL3117909)	Inhibition of Bacillus subtilis 168 PBP3 after 30 mins by SDS-PAGE
50005952	1	ChEMBL_1289779 (CHEMBL3119071)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis
50005955	1	ChEMBL_1290253 (CHEMBL3118382)	Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate addition by Dixon plot analysis
50005955	2	ChEMBL_1290254 (CHEMBL3118383)	Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate addition by Hanes plot analysis
50005955	3	ChEMBL_1290255 (CHEMBL3118384)	Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate addition by Lineweaver-Burk plot analysis
50005956	1	ChEMBL_1290952 (CHEMBL3119121)	Inhibition of human CYP3A4
50005958	1	ChEMBL_1289365 (CHEMBL3116564)	Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+
50005958	2	ChEMBL_1289368 (CHEMBL3116567)	Inhibition of HIV-1 integrase E92Q mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	3	ChEMBL_1289363 (CHEMBL3116562)	Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	4	ChEMBL_1289184 (CHEMBL3119246)	Inhibition of HIV-1 integrase N155H mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	5	ChEMBL_1289185 (CHEMBL3119247)	Inhibition of HIV-1 integrase G140S mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	6	ChEMBL_1289186 (CHEMBL3119248)	Inhibition of HIV-1 integrase E138K mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	7	ChEMBL_1289187 (CHEMBL3119249)	Non-competitive inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate after 1 hr by double-reciprocal plot analysis in presence of Mn2+
50005958	8	ChEMBL_1289193 (CHEMBL3119255)	Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mn2+
50005958	9	ChEMBL_1289361 (CHEMBL3116560)	Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	10	ChEMBL_1289362 (CHEMBL3116561)	Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer reaction after 2 hrs by PAGE analysis in presence of Mn2+
50005958	11	ChEMBL_1289367 (CHEMBL3116566)	Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mn2+
50005958	12	ChEMBL_1289366 (CHEMBL3116565)	Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+
50005958	13	ChEMBL_1289364 (CHEMBL3116563)	Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reaction after 2 hrs by PAGE analysis in presence of Mg2+
50005958	14	ChEMBL_1289188 (CHEMBL3119250)	Non-competitive inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate after 1 hr by double-reciprocal plot analysis in presence of Mg2+
50005958	15	ChEMBL_1289189 (CHEMBL3119251)	Competitive inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate after 1 hr by double-reciprocal plot analysis in presence of Mg2+
50005959	1	ChEMBL_1289377 (CHEMBL3116709)	Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay
50005959	2	ChEMBL_1289376 (CHEMBL3116708)	Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay
50005960	1	ChEMBL_1290568 (CHEMBL3116617)	Inhibition of amyloid beta (1 to 40) aggregation (unknown origin)
50005960	2	ChEMBL_1290567 (CHEMBL3116616)	Destabilization of preformed amyloid beta (1 to 40) (unknown origin)
50005961	1	ChEMBL_1291034 (CHEMBL3119596)	Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay
50005961	2	ChEMBL_1291033 (CHEMBL3119595)	Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA
50005961	3	ChEMBL_1291016 (CHEMBL3119373)	Inhibition of human platelet PDE2
50005961	4	ChEMBL_1291018 (CHEMBL3119375)	Inhibition of human platelet PDE5
50005961	5	ChEMBL_1291017 (CHEMBL3119374)	Inhibition of human platelet PDE3
50005962	1	ChEMBL_1291259 (CHEMBL3117044)	Inhibition of FLAG-tagged HDAC1 S113A mutant (unknown origin) expressed in Jurkat cells after 2 hrs by Fluor de lys staining-based fluorimetric analysis
50005962	2	ChEMBL_1291258 (CHEMBL3117043)	Inhibition of wild-type FLAG-tagged HDAC1 (unknown origin) expressed in Jurkat cells after 2 hrs by Fluor de lys staining-based fluorimetric analysis
50005963	1	ChEMBL_1288263 (CHEMBL3117337)	Inhibition of full-length human PDE4D2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins
50005963	2	ChEMBL_1288264 (CHEMBL3117338)	Inhibition of full-length human PDE4B2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins
50005963	3	ChEMBL_1288255 (CHEMBL3117329)	Inhibition of recombinant human PDE4D (78 to 508)
50005964	1	ChEMBL_1288490 (CHEMBL3118539)	Inhibition of T-type calcium channel subunit alpha-1G (unknown origin) expressed in HEK293 cells assessed as inactivation of channel current at holding potential of 30 to 100mV by whole-cell patch clamp method
50005964	2	ChEMBL_1288298 (CHEMBL3117581)	Inhibition of L-type calcium channel subunit-1C (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method
50005964	3	ChEMBL_1288300 (CHEMBL3117583)	Inhibition of human ERG by whole-cell patch clamp method
50005968	1	ChEMBL_1289214 (CHEMBL3119481)	Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 2 hrs by fluorescence based assay
50005968	2	ChEMBL_1289216 (CHEMBL3119483)	Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 2 hrs by fluorescence based assay
50005970	1	ChEMBL_1289687 (CHEMBL3118571)	Inhibition of Toxoplasma gondii TS-DHFR using methylenetetrahydrofolate/dUMP as sustrate preincubated for 10 mins followed by substrate addition
50005970	2	ChEMBL_1289685 (CHEMBL3118569)	Inhibition of Toxoplasma gondii TS-DHFR using methylenetetrahydrofolate/dUMP as sustrate
50005970	3	ChEMBL_1289684 (CHEMBL3118568)	Inhibition of Toxoplasma gondii TS-DHFR by Michaelis-Menten plot analysis in presence of bovine serum albumin
50005973	1	ChEMBL_1289924 (CHEMBL3119935)	Inhibition of COX-2 in human whole blood assessed as PGE2 level in plasma after 5 mins by enzyme immunoassay
50005973	2	ChEMBL_1289925 (CHEMBL3119936)	Inhibition of COX-1 in human whole blood assessed as thromboxane B2 level in serum after 5 mins by enzyme immunoassay
50005975	1	ChEMBL_1289928 (CHEMBL3119939)	Modulation of human Nav1.4 in closed state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	2	ChEMBL_1289930 (CHEMBL3119941)	Modulation of human Nav1.3 in closed state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	3	ChEMBL_1289933 (CHEMBL3119944)	Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	4	ChEMBL_1289932 (CHEMBL3119943)	Modulation of human Nav1.4 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	5	ChEMBL_1289929 (CHEMBL3119940)	Modulation of human Nav1.7 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	6	ChEMBL_1289931 (CHEMBL3119942)	Modulation of human Nav1.5 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	7	ChEMBL_1289926 (CHEMBL3119937)	Modulation of human Nav1.7 in closed state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005975	8	ChEMBL_1289927 (CHEMBL3119938)	Modulation of human Nav1.5 in closed state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology
50005976	1	ChEMBL_1290640 (CHEMBL3116999)	Inhibition of GST-tagged recombinant wild type HIV-1 reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli JM109 using dTTP as substrate after 40 mins by spectrofluorometric analysis
50005977	1	ChEMBL_1290829 (CHEMBL3118414)	Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate after 10 mins by fluorescence assay
50005980	1	ChEMBL_1288553 (CHEMBL3118986)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50005980	2	ChEMBL_1288552 (CHEMBL3118985)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50005980	3	ChEMBL_1288551 (CHEMBL3118984)	Inhibition of Cryptococcus neoformans beta-carbonic anhydrase Can2
50005981	1	ChEMBL_1288756 (CHEMBL3116677)	Modulation of GABAA alpha1beta3gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50005981	2	ChEMBL_1288760 (CHEMBL3116681)	Modulation of GABAA alpha3beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50005981	3	ChEMBL_1288761 (CHEMBL3116682)	Modulation of GABAA alpha2beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of EC3 to 10 GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50005982	1	ChEMBL_1288962 (CHEMBL3117844)	Inhibition of FTase (unknown origin) assessed as transfer of [H3]farnesyl from [H3]farnesyl pyrophosphate to trichloroacetic acid-precipitable HaRas-CVLS
50005982	2	ChEMBL_1288940 (CHEMBL3117637)	Inhibition of CYP3A4 (unknown origin)
50005982	3	ChEMBL_1288959 (CHEMBL3117841)	Inhibition of human ERG
50005983	1	ChEMBL_1291859 (CHEMBL3124059)	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay
50005983	2	ChEMBL_1291856 (CHEMBL3124056)	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156V mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay
50005983	3	ChEMBL_1291857 (CHEMBL3124057)	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease A156T mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay
50005983	4	ChEMBL_1291855 (CHEMBL3124055)	Inhibition of Hepatitis C virus genotype 1b NS3/4A protease D168Y mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay
50005984	1	ChEMBL_1292395 (CHEMBL3123988)	Binding affinity to recombinant HSP90-alpha (unknown origin) by surface plasmon resonance analysis
50005986	1	ChEMBL_1292598 (CHEMBL3124301)	Inhibition of Hepatitis C virus genotype 1a NS3/4A protease A156T mutant expressed in Escherichia coli BL21 (DE3) cells assessed as substrate cleavage using Ac-DE-Dap(QXL520)-EE-Abu-psi-[COO]AS-C(5-FAMsp)-NH2 as substrate by plate reader analysis
50005987	1	ChEMBL_1292764 (CHEMBL3122265)	Inhibition of Hepatitis C virus genotype 1b NS5B Cdelta21 RNA dependent RNA polymerase 316N mutant using biotinylated polyC:oligoG/[alpha-P33]-GTP as template/substrate preincubated for 15 mins followed by template/substrate addition by scintillation proximity assay
50005988	1	ChEMBL_1293306 (CHEMBL3123718)	Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase S282T mutant using IRES RNA as substrate after 30 mins by radioactive assay in presence of [alpha32p]UTP
50005989	1	ChEMBL_1293668 (CHEMBL3123163)	Inhibition of human ERG by patch-clamp technique
50005989	2	ChEMBL_1293691 (CHEMBL3123230)	Inhibition of human ERG expressed in CHO cells
50005989	3	ChEMBL_1293690 (CHEMBL3123229)	Inhibition of human ERG expressed in HEK293 cells
50005990	1	ChEMBL_1291714 (CHEMBL3123884)	Agonist activity at human recombinant S1P3 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
50005990	2	ChEMBL_1291715 (CHEMBL3123885)	Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
50005991	1	ChEMBL_1291910 (CHEMBL3124224)	Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis
50005991	2	ChEMBL_1291908 (CHEMBL3124222)	Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis
50005991	3	ChEMBL_1291909 (CHEMBL3124223)	Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis
50005991	4	ChEMBL_1291911 (CHEMBL3124225)	Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis
50005991	5	ChEMBL_1291907 (CHEMBL3124221)	Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis
50005992	1	ChEMBL_1292463 (CHEMBL3124128)	Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	2	ChEMBL_1292462 (CHEMBL3124127)	Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	3	ChEMBL_1292461 (CHEMBL3124126)	Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	4	ChEMBL_1292454 (CHEMBL3124119)	Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	5	ChEMBL_1292456 (CHEMBL3124121)	Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	6	ChEMBL_1292332 (CHEMBL3124685)	Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	7	ChEMBL_1292455 (CHEMBL3124120)	Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005992	8	ChEMBL_1292457 (CHEMBL3124122)	Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate addition measured after 10 to 30 mins by chemiluminescence-based assay
50005995	1	ChEMBL_1292467 (CHEMBL3124132)	Antagonist activity at rat brain CB1 receptor
50005995	2	ChEMBL_1292472 (CHEMBL3124137)	Antagonist activity at human CB1 receptor stably expressed in CHO cells co-expressing co-expressing Ga15/16 assessed as calcium current after 45 mins by fluo-4 AM assay
50005995	3	ChEMBL_1292470 (CHEMBL3124135)	Antagonist activity at CB2 receptor (unknown origin) stably expressed in CHO cells co-expressing co-expressing Ga15/16 assessed as calcium current after 45 mins by fluo-4 AM assay
50005995	4	ChEMBL_1292466 (CHEMBL3124131)	Antagonist activity at cloned human CB1 receptor
50005995	5	ChEMBL_1292468 (CHEMBL3124133)	Antagonist activity at cloned human CB2 receptor
50005995	6	ChEMBL_1292469 (CHEMBL3124134)	Antagonist activity at rat spleen CB2 receptor
50005995	7	ChEMBL_1292464 (CHEMBL3124129)	Antagonist activity at CB1 receptor (unknown origin)
50005996	1	ChEMBL_1292476 (CHEMBL3124141)	Inhibition of Akt/mTOR in human 786-O cells assessed as inhibition of nuclear export of transcription factor FOXO1a
50005997	1	ChEMBL_1292641 (CHEMBL3124427)	Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay
50005999	1	ChEMBL_1293342 (CHEMBL3122285)	Inhibition of human transmembrane carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50005999	2	ChEMBL_1293344 (CHEMBL3122287)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50005999	3	ChEMBL_1293345 (CHEMBL3122288)	Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50005999	4	ChEMBL_1293343 (CHEMBL3122286)	Inhibition of human transmembrane carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay
50006002	1	ChEMBL_1293611 (CHEMBL3123036)	Inhibition of p38a MAPK (unknown origin) by radiometric assay
50006003	1	ChEMBL_1293874 (CHEMBL3123626)	Inhibition of human ERG by whole cell patch clamp assay
50006005	1	ChEMBL_1294037 (CHEMBL3122548)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampus homogenates after 15 mins by scintillation counting
50006005	2	ChEMBL_1294036 (CHEMBL3122547)	Displacement of [3H]-5-CT from cloned human 5HT7B receptor expressed in HEK293 cells after 1 hr by scintillation counting
50006005	3	ChEMBL_1294038 (CHEMBL3122549)	Binding affinity to 5HT1A receptor (unknown origin)
50006005	4	ChEMBL_1294039 (CHEMBL3122550)	Binding affinity to 5HT7 receptor (unknown origin)
50006006	1	ChEMBL_1292705 (CHEMBL3123572)	Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cyclase activity after 20 mins
50006006	2	ChEMBL_1292704 (CHEMBL3123571)	Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis
50006006	3	ChEMBL_1292708 (CHEMBL3123575)	Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis
50006006	4	ChEMBL_1292706 (CHEMBL3123573)	Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis
50006008	1	ChEMBL_1292870 (CHEMBL3122609)	Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay
50006008	2	ChEMBL_1292868 (CHEMBL3122607)	Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay
50006008	3	ChEMBL_1292871 (CHEMBL3122610)	Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay
50006008	4	ChEMBL_1292869 (CHEMBL3122608)	Inhibition of human transmembrane carbonic anhydrase 9 by stopped flow CO2 hydration assay
50006011	1	ChEMBL_1292876 (CHEMBL3122615)	Inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells assessed as hydrogen peroxide production using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by Amplex Red monoamine oxidase assay
50006011	2	ChEMBL_1292875 (CHEMBL3122614)	Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells assessed as hydrogen peroxide production using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by Amplex Red monoamine oxidase assay
50006012	1	ChEMBL_1293405 (CHEMBL3122428)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotinylated dUTP incorporation after 1 hr by ELISA
50006013	1	ChEMBL_1294319 (CHEMBL3129034)	Inhibition of human ERG by patch clamp electrophysiology
50006014	1	ChEMBL_1294622 (CHEMBL3128537)	Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease R155K mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrate incubated for 10 mins prior to substrate addition by FRET analysis
50006014	2	ChEMBL_1294624 (CHEMBL3128539)	Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease A156T mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrate incubated for 10 mins prior to substrate addition by FRET analysis
50006014	3	ChEMBL_1294623 (CHEMBL3128538)	Inhibition of Hepatitis C virus genotype 1a full length NS3/2K-NS4A protease D168V mutant using Ac-DED(Edans)EEAbupsi[COO]ASK(Dabcyl)-NH2 as substrate incubated for 10 mins prior to substrate addition by FRET analysis
50006016	1	ChEMBL_1294633 (CHEMBL3128589)	Binding affinity to human ERG by fluorescence polarization assay
50006017	1	ChEMBL_1295475 (CHEMBL3131473)	Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay
50006017	2	ChEMBL_1295477 (CHEMBL3131475)	Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay
50006017	3	ChEMBL_1295474 (CHEMBL3131472)	Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay
50006017	4	ChEMBL_1295476 (CHEMBL3131474)	Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay
50006020	1	ChEMBL_1295481 (CHEMBL3131479)	Inhibition of HSP90 (unknown origin)
50006021	1	ChEMBL_1295505 (CHEMBL3131503)	Inhibition of full-length HCV NS3 protease D168V mutant
50006021	2	ChEMBL_1295504 (CHEMBL3131502)	Inhibition of full-length HCV NS3 protease R155K mutant
50006021	3	ChEMBL_1295506 (CHEMBL3131504)	Inhibition of full-length HCV NS3 protease A156T mutant
50006022	1	ChEMBL_1296492 (CHEMBL3130461)	Inhibition of HIV1 integrase strand transfer activity
50006022	2	ChEMBL_1296488 (CHEMBL3130457)	Inhibition of HIV-1 integrase 3'-end processing activity preincubated for 30 mins followed by 5'-end 32P-labeled linear double-stranded oligonucleotide addition
50006022	3	ChEMBL_1296487 (CHEMBL3130456)	Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by 5'-end 32P-labeled linear double-stranded oligonucleotide addition
50006022	4	ChEMBL_1296490 (CHEMBL3130459)	Inhibition of HIV-1 integrase binding to viral DNA by SPR-based competitive assay
50006022	5	ChEMBL_1296491 (CHEMBL3130460)	Inhibition of HIV-1 integrase 3'-end processing activity
50006023	1	ChEMBL_1298460 (CHEMBL3131674)	Agonist activity at human recombinant S1P3 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
50006023	2	ChEMBL_1298461 (CHEMBL3131675)	Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
50006024	1	ChEMBL_1296757 (CHEMBL3132260)	Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding after 3 hrs by scintillation proximity assay
50006024	2	ChEMBL_1296753 (CHEMBL3132256)	Inhibition of human ERG expressed in CHOK1 cells by electrophysiological analysis
50006024	3	ChEMBL_1296756 (CHEMBL3132259)	Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay
50006025	1	ChEMBL_1296585 (CHEMBL3131105)	Binding affinity to GP130 (unknown origin) by surface plasmon resonance analysis
50006027	1	ChEMBL_1296790 (CHEMBL3132473)	Partial agonist activity at recombinant human adenosine A3 receptor expressed in CHO cells assessed as stimulation of forskolin-induced intracellular cAMP production preincubated for 45 mins followed by forskolin challenge measured after 15 mins by liquid scintillation counting analysis in presence of rolipram and adenosine deaminase
50006027	2	ChEMBL_1296801 (CHEMBL3132626)	Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis
50006027	3	ChEMBL_1296802 (CHEMBL3132627)	Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis
50006027	4	ChEMBL_1296803 (CHEMBL3132628)	Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis
50006027	5	ChEMBL_1296804 (CHEMBL3132629)	Displacement of [3H]-R-PIA from recombinant human adenosine A1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis
50006028	1	ChEMBL_1297949 (CHEMBL3132334)	Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysis
50006028	2	ChEMBL_1297950 (CHEMBL3132335)	Inhibition of HIV-1 integrase-mediated 3'-processing activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysis
50006029	1	ChEMBL_1298276 (CHEMBL3130541)	Inhibition of human His-tagged menin-biotinylated MLL (4 to 15) interaction after 1 hr by HTRF assay
50006029	2	ChEMBL_1298273 (CHEMBL3130538)	Binding affinity to human menin by isothermal titration calorimetric analysis
50006030	1	ChEMBL_1298586 (CHEMBL3132373)	Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay
50006031	1	ChEMBL_1295078 (CHEMBL3129453)	Agonist activity at human 5-HT2C receptor assessed as stimulation of Ca2+ mobilization
50006031	2	ChEMBL_1295077 (CHEMBL3129452)	Displacement of [125I]DOI from human 5-HT2C receptor
50006032	1	ChEMBL_1295102 (CHEMBL3128341)	Binding affinity to wild type human DAT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis
50006032	2	ChEMBL_1295094 (CHEMBL3129469)	Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting analysis
50006032	3	ChEMBL_1295095 (CHEMBL3128334)	Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis
50006032	4	ChEMBL_1295105 (CHEMBL3128344)	Binding affinity to wild type human SERT expressed in African green monkey COS7 cells assessed as inhibition of [3H]-serotonin uptake after 3 mins by beta-scintillation counting analysis
50006032	5	ChEMBL_1295107 (CHEMBL3128346)	Binding affinity to human SERT T497A mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-serotonin uptake after 3 mins by beta-scintillation counting analysis
50006032	6	ChEMBL_1295103 (CHEMBL3128342)	Binding affinity to human DAT A480T mutant expressed in African green monkey COS7 cells assessed as inhibition of [3H]-dopamine uptake after 5 mins by beta-scintillation counting analysis
50006032	7	ChEMBL_1295109 (CHEMBL3128348)	Displacement of [3H]WIN35,428 from rat brain DAT
50006034	1	ChEMBL_1297410 (CHEMBL3129628)	Inhibition of BuChE in human serum using butyrylthiocholine iodide as substrate measured every 30s for 5 mins by Ellman's spectrophotometric method
50006035	1	ChEMBL_1297437 (CHEMBL3129655)	Inhibition of human Kv1.5 ion channel expressed in CHO cells by patch clamp assay
50006035	2	ChEMBL_1297439 (CHEMBL3129657)	Inhibition of Kv1.5 ion channel (unknown origin)
50006035	3	ChEMBL_1297426 (CHEMBL3129644)	Inhibition of human ERG
50006035	4	ChEMBL_1297438 (CHEMBL3129656)	Inhibition of Kv1.5 ion channel (unknown origin) expressed in CHO cells by Rb(+) efflux assay
50006036	1	ChEMBL_1297704 (CHEMBL3131164)	Inhibition of human recombinant carbonic anhydrase 1-mediated CO2 hydration after 6 hrs by stopped-flow assay
50006036	2	ChEMBL_1297701 (CHEMBL3130995)	Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay
50006036	3	ChEMBL_1297702 (CHEMBL3130996)	Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay
50006036	4	ChEMBL_1297703 (CHEMBL3130997)	Inhibition of human recombinant carbonic anhydrase 2-mediated CO2 hydration after 6 hrs by stopped-flow assay
50006037	1	ChEMBL_1294831 (CHEMBL3128985)	Displacement of GM-cy3B from Hsp90 in human SKBR3 cells after 24 hrs by fluorescence polarization assay
50006039	1	ChEMBL_1294868 (CHEMBL3129059)	Inhibition of CYP3A4 (unknown origin)
50006040	1	ChEMBL_1295425 (CHEMBL3131243)	Inhibition of GSK3beta (unknown origin)
50006040	2	ChEMBL_1295424 (CHEMBL3131242)	Inhibition of GSK3beta (unknown origin) expressed in sf9 cells after 30 mins by scintillation counting analysis in presence of [gamma-32P]ATP
50006043	1	ChEMBL_1295729 (CHEMBL3129541)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
50006043	2	ChEMBL_1295728 (CHEMBL3129540)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
50006043	3	ChEMBL_1295726 (CHEMBL3129538)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
50006043	4	ChEMBL_1295727 (CHEMBL3129539)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
50006044	1	ChEMBL_1296888 (CHEMBL3129791)	Inhibition of full-length Hsp90-ATPase activity (unknown origin) assessed as inhibition of ATP hydrolysis by spectrophotometry
50006045	1	ChEMBL_1297458 (CHEMBL3129818)	Displacement of [125I]IMPY from amyloid beta (1 to 40) (unknown origin) after 2 hrs by gamma counting analysis
50006046	1	ChEMBL_1297771 (CHEMBL3131403)	Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50006046	2	ChEMBL_1297772 (CHEMBL3131404)	Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50006046	3	ChEMBL_1297773 (CHEMBL3131405)	Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50006046	4	ChEMBL_1297770 (CHEMBL3131402)	Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay
50006047	1	ChEMBL_1294269 (CHEMBL3128911)	Agonist activity at human CB2 receptor
50006047	2	ChEMBL_1294268 (CHEMBL3128910)	Agonist activity at human CB1 receptor
50006047	3	ChEMBL_1294264 (CHEMBL3128906)	Inhibition of human COX1
50006047	4	ChEMBL_1294267 (CHEMBL3128909)	Inhibition of human COX1 using arachidonic acid as substrate assessed as PGE2 formation incubated for 10 mins prior to substrate addition measured after 10 mins by ELISA
50006047	5	ChEMBL_1294265 (CHEMBL3128907)	Inhibition of human COX2
50006047	6	ChEMBL_1294266 (CHEMBL3128908)	Inhibition of human COX2 using arachidonic acid as substrate assessed as PGE2 formation incubated for 10 mins prior to substrate addition measured after 10 mins by ELISA
50006048	1	ChEMBL_1294279 (CHEMBL3128956)	Inhibition of wild type HIV-1 reverse transcriptase using poly (rC)/oligo (dG) as template/primer assessed as inhibition of biotin-dUTP incorporation after 1 hr by microtiter plate ELISA reader analysis
50006049	1	ChEMBL_1294581 (CHEMBL3128455)	Inhibition of human recombinant COX2 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by enzyme immunoassay
50006049	2	ChEMBL_1294582 (CHEMBL3128456)	Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by enzyme immunoassay
50006051	1	ChEMBL_1299032 (CHEMBL3134897)	Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing
50006051	2	ChEMBL_1299031 (CHEMBL3134896)	Inhibition of PRMT1 (unknown origin)
50006051	3	ChEMBL_1299029 (CHEMBL3134894)	Inhibition of SUV39H1 (unknown origin)
50006051	4	ChEMBL_1299030 (CHEMBL3134895)	Inhibition of CARM1 (unknown origin)
50006053	1	ChEMBL_1299391 (CHEMBL3136926)	Displacement of [3H]pentazocine from sigma1 receptor in guinea pig brain membrane after 90 mins by liquid scintillation counting analysis
50006053	2	ChEMBL_1299394 (CHEMBL3136929)	Displacement of [125I]ABN from human D3 receptor transfected in HEK-293 cell membrane after 60 mins by filtration binding assay
50006053	3	ChEMBL_1299395 (CHEMBL3136930)	Displacement of [125I]ABN from human D2 receptor transfected in HEK-293 cell membrane after 60 mins by filtration binding assay
50006053	4	ChEMBL_1299392 (CHEMBL3136927)	Displacement of [125I]ABN from human D4 receptor transfected in HEK-293 cell membrane after 60 mins by filtration binding assay
50006054	1	ChEMBL_1299660 (CHEMBL3136078)	Inhibition of thymidylate synthase activity of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase by steady state kinetic assay
50006054	2	ChEMBL_1299659 (CHEMBL3136077)	Inhibition of human DHFR
50006054	3	ChEMBL_1299668 (CHEMBL3136204)	Inhibition of DHFR activity of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase by steady state kinetic assay
50006055	1	ChEMBL_1300219 (CHEMBL3136683)	Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	2	ChEMBL_1300220 (CHEMBL3136684)	Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	3	ChEMBL_1300216 (CHEMBL3136680)	Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	4	ChEMBL_1300217 (CHEMBL3136681)	Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	5	ChEMBL_1300218 (CHEMBL3136682)	Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	6	ChEMBL_1300214 (CHEMBL3136678)	Inhibition of GST-tagged Jarid1A (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	7	ChEMBL_1300215 (CHEMBL3136679)	Inhibition of UHRF1 tandem tudor domain (121 to 286) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	8	ChEMBL_1300211 (CHEMBL3136675)	Binding affinity to L3MBTL1 (unknown origin) by isothermal titration calorimetric analysis
50006055	9	ChEMBL_1300213 (CHEMBL3136677)	Inhibition of GST-tagged PHF23 (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay
50006055	10	ChEMBL_1300212 (CHEMBL3136676)	Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetric analysis
50006056	1	ChEMBL_1300234 (CHEMBL3136698)	Inhibition of recombinant SK1 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 mins
50006056	2	ChEMBL_1300233 (CHEMBL3136697)	Inhibition of purified SK2 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 mins
50006056	3	ChEMBL_1300235 (CHEMBL3136699)	Inhibition of SK2 (unknown origin)
50006057	1	ChEMBL_1300504 (CHEMBL3135820)	Inhibition of Yersinia pestis topoisomerase 1-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis
50006057	2	ChEMBL_1300503 (CHEMBL3135819)	Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled plasmid DNA by agarose gel electrophoresis
50006058	2	ChEMBL_1298592 (CHEMBL3135360)	Inhibition of gamma-secretase (unknown origin) using Notch1 substrate assessed as Notch1-NICD production
50006058	3	ChEMBL_1298591 (CHEMBL3135359)	Inhibition of gamma-secretase (unknown origin) using APP substrate assessed as amyloid-beta40 production
50006059	1	ChEMBL_1300904 (CHEMBL3135191)	Inhibition of human APT2
50006059	2	ChEMBL_1300899 (CHEMBL3135186)	Inhibition of APT1 (unknown origin) by FluPol-ABPP assay
50006059	3	ChEMBL_1300902 (CHEMBL3135189)	Inhibition of ABHD11 (unknown origin)
50006059	4	ChEMBL_1300907 (CHEMBL3135194)	Inhibition of APT2 (unknown origin)
50006059	5	ChEMBL_1300900 (CHEMBL3135187)	Inhibition of APT2 (unknown origin) by FluPol-ABPP assay
50006059	6	ChEMBL_1300905 (CHEMBL3135192)	Inhibition of APT2 (unknown origin) by enzyme kinetic assay
50006059	7	ChEMBL_1300906 (CHEMBL3135193)	Inhibition of APT1 (unknown origin) by enzyme kinetic assay
50006059	8	ChEMBL_1300908 (CHEMBL3135195)	Inhibition of APT1 (unknown origin)
50006059	9	ChEMBL_1300903 (CHEMBL3135190)	Inhibition of human APT1
50006060	1	ChEMBL_1301032 (CHEMBL3137024)	Inhibition of STAT3 (unknown origin) dimerization after 60 mins by fluorescence polarization assay
50006060	2	ChEMBL_1301030 (CHEMBL3137022)	Inhibition of STAT3 (unknown origin) dimerization by EMSA
50006062	1	ChEMBL_1301064 (CHEMBL3137056)	Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles
50006062	2	ChEMBL_1301065 (CHEMBL3137057)	Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membranes
50006063	1	ChEMBL_1329165 (CHEMBL3225181)	Antagonist activity at LPAR1/LPAR3 in rat glioma C62B cells assessed as inhibition of LPA-induced reduction in isoproterenol-stimulated [3H]cAMP accumulation by liquid scintillation counting
50006063	2	ChEMBL_1329163 (CHEMBL3225179)	Competitive antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]GTPgammaS binding by liquid scintillation counting
50006063	3	ChEMBL_1329164 (CHEMBL3225180)	Competitive antagonist activity at N-terminal 3XHA-tagged human LPA3 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]GTPgammaS binding by liquid scintillation counting
50006065	1	ChEMBL_1330621 (CHEMBL3222526)	Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay
50006065	2	ChEMBL_1330629 (CHEMBL3222534)	Agonist activity at zebrafish VDR LBD assessed as binding affinity to TAMRA-labeled SRC-1 peptide by fluorescence anisotropy assay
50006066	1	ChEMBL_1328816 (CHEMBL3227400)	Agonist activity at TSHR (unknown origin) transiently transfected HEK-EM293 cells assessed as cAMP level after 1 hr by ELISA
50006066	2	ChEMBL_1328815 (CHEMBL3227399)	Agonist activity at TSHR (unknown origin)
50006066	3	ChEMBL_1328819 (CHEMBL3227403)	Agonist activity at LHCGR (unknown origin)
50006067	1	ChEMBL_1330172 (CHEMBL3224074)	Displacement of [3H]DADLE from human delta opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis
50006067	2	ChEMBL_1330173 (CHEMBL3224075)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis
50006067	3	ChEMBL_1330171 (CHEMBL3224073)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis
50006067	4	ChEMBL_1330177 (CHEMBL3224079)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay
50006067	5	ChEMBL_1330176 (CHEMBL3224078)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane
50006068	1	ChEMBL_1330642 (CHEMBL3222547)	Binding affinity to human SST4 receptor
50006069	1	ChEMBL_1331154 (CHEMBL3226854)	Time-dependent inhibition of recombinant LSD1 catalytic domain (178 to 831 amino acids) (unknown origin) expressed in baculovirus infected insect Sf9 cells
50006069	2	ChEMBL_1331153 (CHEMBL3226853)	Reversible inhibition of recombinant LSD1 catalytic domain (178 to 831 amino acids) (unknown origin) expressed in baculovirus infected insect Sf9 cells
50006071	1	ChEMBL_1331618 (CHEMBL3225361)	Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometric coupled assay
50006072	1	ChEMBL_1328394 (CHEMBL3223382)	Inhibition of soluble epoxide hydrolase (unknown origin)
50006072	2	ChEMBL_1328396 (CHEMBL3223384)	Inhibition of human recombinant soluble epoxide hydrolase using cyano(6-methoxy-naphthalen-2-yl)methyl-trans-[(3-phenyloxiran-2-yl)methyl]carbonate as substrate after 5 mins by fluorescence assay
50006074	1	ChEMBL_1328418 (CHEMBL3223406)	Inhibition of recombinant human full length SIRT2 using fluorescent ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay
50006074	2	ChEMBL_1328417 (CHEMBL3223405)	Inhibition of recombinant human N-tagged GST-SIRT1 fusion protein using fluorescent ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay
50006077	1	ChEMBL_1329784 (CHEMBL3226370)	Inhibition of bovine brain tubulin polymerization after 20 mins by spectrophotometric analysis
50006079	1	ChEMBL_1329799 (CHEMBL3226385)	Inhibition of N-terminal GST-tagged ROCK1 (1 to 535) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay
50006079	2	ChEMBL_1330231 (CHEMBL3224487)	Inhibition of MLCK1 (unknown origin)
50006079	3	ChEMBL_1330196 (CHEMBL3224098)	Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assay
50006079	4	ChEMBL_1329797 (CHEMBL3226383)	Inhibition of ROCK1 (unknown origin)
50006079	5	ChEMBL_1330230 (CHEMBL3224486)	Inhibition of LIMK1 (unknown origin)
50006079	6	ChEMBL_1330237 (CHEMBL3224499)	Inhibition of RSK1 (unknown origin)
50006079	7	ChEMBL_1330227 (CHEMBL3224483)	Inhibition of GSK3beta (unknown origin)
50006079	8	ChEMBL_1330238 (CHEMBL3224500)	Inhibition of SGK1 (unknown origin)
50006079	9	ChEMBL_1330225 (CHEMBL3224481)	Inhibition of CK1-alpha1 (unknown origin)
50006079	10	ChEMBL_1330226 (CHEMBL3224482)	Inhibition of DMPK (unknown origin)
50006079	11	ChEMBL_1330232 (CHEMBL3224488)	Inhibition of MRCKalpha (unknown origin)
50006079	12	ChEMBL_1330239 (CHEMBL3224501)	Inhibition of PKN1 (unknown origin)
50006079	13	ChEMBL_1330197 (CHEMBL3224491)	Inhibition of Aurora-A (unknown origin) using KKRPQRRSNVF as substrate by Z-Lyte-based FRET assay
50006079	14	ChEMBL_1330223 (CHEMBL3224479)	Inhibition of AKT1 (unknown origin)
50006079	15	ChEMBL_1330224 (CHEMBL3224480)	Inhibition of Aurora-A (unknown origin)
50006079	16	ChEMBL_1329798 (CHEMBL3226384)	Inhibition of ROCK2 (unknown origin)
50006079	17	ChEMBL_1330229 (CHEMBL3224485)	Inhibition of JAK2 (unknown origin)
50006079	18	ChEMBL_1330233 (CHEMBL3224489)	Inhibition of p70S6K (unknown origin)
50006079	19	ChEMBL_1330236 (CHEMBL3224498)	Inhibition of TBK1 (unknown origin)
50006079	20	ChEMBL_1330228 (CHEMBL3224484)	Inhibition of IKKepsilon (unknown origin)
50006079	21	ChEMBL_1330234 (CHEMBL3224490)	Inhibition of PAK1 (unknown origin)
50006079	22	ChEMBL_1330222 (CHEMBL3224478)	Inhibition of ACK1 (unknown origin)
50006080	1	ChEMBL_1331242 (CHEMBL3227884)	Inhibition of human recombinant HDAC4 after 1 hr by luminescence assay
50006080	2	ChEMBL_1331243 (CHEMBL3227885)	Inhibition of human recombinant HDAC6 after 1 hr by luminescence assay
50006080	3	ChEMBL_1331241 (CHEMBL3227883)	Inhibition of human recombinant HDAC1 after 1 hr by luminescence assay
50006081	1	ChEMBL_1332680 (CHEMBL3224262)	Inhibition of Escherichia coli IspF by HPLC based cAMP formation assay
50006081	2	ChEMBL_1332679 (CHEMBL3224261)	Inhibition of Escherichia coli IspF-MEP complex by HPLC based cAMP formation assay
50006082	1	ChEMBL_1327497 (CHEMBL3226597)	Inhibition of BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay
50006083	1	ChEMBL_1328995 (CHEMBL3223416)	Inhibition of human recombinant PDE10A catalytic domain assessed reduction in [3H]cAMP hydrolysis preincubated with enzyme for 5 mins prior to substrate addition measured after 20 mins by scintillation proximity assay
50006083	2	ChEMBL_1328992 (CHEMBL3223413)	Inhibition of human recombinant PDE4A assessed reduction in [3H]cAMP hydrolysis preincubated with enzyme for 5 mins prior to substrate addition measured after 20 mins by scintillation proximity assay
50006083	3	ChEMBL_1328993 (CHEMBL3223414)	Inhibition of human recombinant PDE3B assessed reduction in [3H]cAMP hydrolysis preincubated with enzyme for 5 mins prior to substrate addition measured after 20 mins by scintillation proximity assay
50006083	4	ChEMBL_1328994 (CHEMBL3223415)	Inhibition of human recombinant PDE3A assessed reduction in [3H]cAMP hydrolysis preincubated with enzyme for 5 mins prior to substrate addition measured after 20 mins by scintillation proximity assay
50006083	5	ChEMBL_1328991 (CHEMBL3223412)	Inhibition of human recombinant PDE4B assessed reduction in [3H]cAMP hydrolysis preincubated with enzyme for 5 mins prior to substrate addition measured after 20 mins by scintillation proximity assay
50006084	1	ChEMBL_1330847 (CHEMBL3224129)	Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant using [3H]geranylgeranyl
50006084	2	ChEMBL_1330848 (CHEMBL3224130)	Inhibition of human recombinant FTase using [3H]farnesyldiphosphate
50006084	3	ChEMBL_1330849 (CHEMBL3224131)	Binding affinity to FTase (unknown origin)
50006086	1	ChEMBL_1331355 (CHEMBL3223233)	Inhibition of recombinant HA-tagged K-Ras G12V mutant (unknown origin) assessed as disruption of interaction with GST-tagged Raf-RBD after overnight incubation by HTRF assay
50006086	2	ChEMBL_1331356 (CHEMBL3223234)	Binding affinity to K-Ras G12V mutant (unknown origin) after 2 hrs by fluorescence polarization-based spectrofluorimetric analysis
50006088	1	ChEMBL_1329435 (CHEMBL3227789)	Inhibition of CHKA in human HCT116 cells assessed as [3H]phosphocholine formation using [3H]choline chloride as substrate incubated for 1 hr prior to substrate addition measured after 1 hr by scintillation counting analysis
50006090	1	ChEMBL_1329939 (CHEMBL3227490)	Antagonist activity at human mu opioid receptor expressed in Gqi5 transfected CHO cells assessed as inhibition of DAMGO-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
50006090	2	ChEMBL_1329941 (CHEMBL3227799)	Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO cells after 1 hr
50006090	3	ChEMBL_1329938 (CHEMBL3227489)	Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysis
50006090	4	ChEMBL_1329936 (CHEMBL3227487)	Antagonist activity at CCR5 in Gqi5 transfected human MOLT4 cells assessed as inhibition of RANTES-stimulated Ca2+ influx preincubated for 15 mins followed by DAMGO challenge
50006091	1	ChEMBL_1330934 (CHEMBL3224914)	Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphate formation after 30 mins by liquid scintillation counting analysis
50006091	2	ChEMBL_1330933 (CHEMBL3224913)	Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphate formation after 30 mins by liquid scintillation counting analysis
50006091	3	ChEMBL_1330931 (CHEMBL3224911)	Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphate formation after 30 mins by liquid scintillation counting analysis
50006092	1	ChEMBL_1332735 (CHEMBL3225022)	Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometry
50006092	2	ChEMBL_1332332 (CHEMBL3227259)	Inhibition of P-gp in human CMEC/D3 cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometry
50006092	3	ChEMBL_1332736 (CHEMBL3225023)	Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of calcein-AM efflux after 30 mins by flow cytometry
50006092	4	ChEMBL_1332321 (CHEMBL3226921)	Displacement of [125I]-iodoarylazidoprazosin from human P-gp expressed in baculovirus-infected insect Sf9 cells incubated for 10 mins followed by UV light illumination for 20 mins by autoradiography
50006093	1	ChEMBL_1333276 (CHEMBL3231095)	Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates
50006094	1	ChEMBL_1333634 (CHEMBL3230951)	Binding affinity to opioid receptor in rat brain homogenates
50006096	1	ChEMBL_1333799 (CHEMBL3231451)	Binding affinity to opiate receptor in rat brain homogenates
50006097	1	ChEMBL_1338882 (CHEMBL3240120)	Inhibition of recombinant HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation in to poly [A] x oligo[dT]15 by ELISA
50006099	1	ChEMBL_1336013 (CHEMBL3238987)	Inhibition of Plasmodium falciparum N-myristoyltransferase by CPM fluorescence assay
50006100	1	ChEMBL_1337291 (CHEMBL3241015)	Inhibition of Influenza A virus (A/California/04/2009(H1N1)) wild-type neuraminidase using MU-NANA as substrate after 1 hr
50006100	2	ChEMBL_1337292 (CHEMBL3241016)	Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase H274Y mutant using MU-NANA as substrate after 1 hr
50006100	3	ChEMBL_1337293 (CHEMBL3241017)	Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) wild-type neuraminidase using MU-NANA as substrate after 1 hr
50006100	4	ChEMBL_1337294 (CHEMBL3241018)	Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase H274Y mutant using MU-NANA as substrate after 1 hr
50006100	5	ChEMBL_1337289 (CHEMBL3241013)	Inhibition of Influenza virus neuraminidase
50006100	6	ChEMBL_1337290 (CHEMBL3241014)	Inhibition of Influenza A virus SN33 H1N1 neuraminidase using MU-NANA as substrate after 1 hr by spectrofluorometric analysis
50006101	1	ChEMBL_1338167 (CHEMBL3242327)	Inhibition of RNA-dependent RNA polymerase activity of HCV genotype 1b HC-J4 recombinant N-terminal histidine tagged C-terminal 21 aminoacids truncated NS5B polymerase M414T mutant at palm site 1 after 1 hr by standard primer dependent elongation assay
50006101	2	ChEMBL_1338162 (CHEMBL3242170)	Inhibition of RNA-dependent RNA polymerase activity of HCV genotype 1b HC-J4 recombinant N-terminal histidine tagged C-terminal 21 aminoacids truncated NS5B polymerase P495L mutant at thumb site 1 after 1 hr by standard primer dependent elongation assay
50006101	3	ChEMBL_1338163 (CHEMBL3242171)	Inhibition of RNA-dependent RNA polymerase activity of HCV genotype 1b HC-J4 recombinant N-terminal histidine tagged C-terminal 21 aminoacids truncated NS5B polymerase M423T mutant at thumb site 2 after 1 hr by standard primer dependent elongation assay
50006102	1	ChEMBL_1339782 (CHEMBL3243458)	Inhibition of bovine brain tubulin polymerization measured every 30 sec for 30 mins by spectrophotometry
50006103	1	ChEMBL_1337752 (CHEMBL3240201)	Inhibition of full-length B-Raf V600E mutant (unknown origin)
50006103	2	ChEMBL_1337753 (CHEMBL3240202)	Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation
50006104	1	ChEMBL_1339445 (CHEMBL3243838)	Inhibition of wild-type HIV1 reverse transcriptase p66/p51 after 40 mins by spectrophotometry
50006105	1	ChEMBL_1339454 (CHEMBL3243847)	Inhibition of HTLV-1 protease L40I/C90A/C109A mutant using dodecapeptide as substrate by HPLC analysis
50006106	1	ChEMBL_1337423 (CHEMBL3241568)	Reversible competitive inhibition of Helicobacter pylori DHQ2 assessed as conversion of 3-dehydroquinic acid to 3-dehydroshikimic acid by Dixon plot analysis
50006108	1	ChEMBL_1335748 (CHEMBL3239747)	Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotropy assay
50006110	1	ChEMBL_1337537 (CHEMBL3242296)	Antibacterial activity against vancomycin-sensitive Enterococcus faecalis 12-5 after 18 hrs by broth microdilution method
50006110	2	ChEMBL_1337538 (CHEMBL3242297)	Antibacterial activity against vancomycin-resistant Enterococcus faecalis 09-9 after 18 hrs by broth microdilution method
50006110	3	ChEMBL_1337535 (CHEMBL3242294)	Antibacterial activity against vancomycin-sensitive Enterococcus faecalis ATCC 29212 after 18 hrs by broth microdilution method
50006110	4	ChEMBL_1337536 (CHEMBL3242295)	Antibacterial activity against vancomycin-resistant Enterococcus faecalis ATCC 51299 after 18 hrs by broth microdilution method
50006111	1	ChEMBL_1335394 (CHEMBL3239045)	Binding affinity to AgrC in Staphylococcus aureus assessed as disruption of membrane dipole potential by di-8-ANEPPS fluorescence assay
50006112	1	ChEMBL_1335026 (CHEMBL3239457)	Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR assay based alternative equilibrium affinity method in presence of AMP-CPP
50006112	2	ChEMBL_1335025 (CHEMBL3239456)	Inhibition of GST-tagged Escherichia coli HPPK expressed in Escherichia coli using 6-hydroxymethyl-7,8-dihydropterin hydrochloride as substrate after 20 mins by luminescence assay
50006112	3	ChEMBL_1335027 (CHEMBL3239458)	Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR kinetic method in presence of AMP-CPP
50006113	1	ChEMBL_1342217 (CHEMBL3256397)	Displacement of [3H]naloxone from opioid receptor (unknown origin) by liquid scintillation counting
50006114	1	ChEMBL_1346830 (CHEMBL3255776)	Binding affinity to rat brain opioid receptor
50006115	1	ChEMBL_1344097 (CHEMBL3254254)	Displacement of [3H] naloxone from opioid receptor (unknown origin)
50006115	2	ChEMBL_1344098 (CHEMBL3254255)	Displacement of [3H] naloxone from opioid receptor (unknown origin) in presence of 100 mM NaCl
50006116	1	ChEMBL_1341502 (CHEMBL3254080)	Antibacterial activity against Streptococcus faecalis assessed as growth inhibition
50006118	1	ChEMBL_1340458 (CHEMBL3253583)	Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens
50006119	1	ChEMBL_1341211 (CHEMBL3257278)	Displacement of [3H]-(-)-naloxone from opiate receptor in rat brain membrane
50006120	1	ChEMBL_1341239 (CHEMBL3257740)	Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting
50006121	1	ChEMBL_1340540 (CHEMBL3254964)	Agonist activity at alpha-adrenergic receptor in Sprague-Dawley rat cerebral cortex assessed as [3H]cAMP accumulation by liquid scintillation spectroscopy in presence of propranolol
50006121	2	ChEMBL_1340543 (CHEMBL3254967)	Displacement of [3H]dihydroalprenolol from beta-adrenergic receptor in Sprague-Dawley rat cerebral cortical membrane
50006121	3	ChEMBL_1340541 (CHEMBL3254965)	Agonist activity at beta-adrenergic receptor in Sprague-Dawley rat cerebral cortex assessed as [3H]cAMP accumulation by liquid scintillation spectroscopy in presence of phentolamine
50006121	4	ChEMBL_1340542 (CHEMBL3254966)	Displacement of [3H]WB4101 from alpha-adrenergic receptor in Sprague-Dawley rat cerebral cortical membrane
50006122	1	ChEMBL_1341440 (CHEMBL3253160)	Inhibition of beta-adrenergic receptor in rat portal vein
50006123	1	ChEMBL_1341454 (CHEMBL3253174)	Inhibition of dopamine-sensitive rat brain adenylyl cyclase activity assessed as cAMP level
50006124	1	ChEMBL_1343083 (CHEMBL3254212)	Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain
50006125	1	ChEMBL_1351241 (CHEMBL3271696)	Inhibition of HDAC in human HeLa cell nuclear extract using acetylated lysine as substrate after 30 mins by spectrophotometric analysis
50006126	1	ChEMBL_1351426 (CHEMBL3267002)	Inhibition of mushroom tyrosinase-mediated L-tyrosine hydroxylation after 30 mins by ELISA
50006126	2	ChEMBL_1351427 (CHEMBL3267003)	Mixed-type inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot analysis
50006126	3	ChEMBL_1351429 (CHEMBL3267005)	Noncompetitive inhibition of mushroom tyrosinase-mediated L-tyrosine oxidation assessed as enzyme-inhibitor complex after 10 mins by Lineweaver-Burk plot analysis
50006127	1	ChEMBL_1349801 (CHEMBL3268002)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.4 ng/ml by fluorescence assay
50006127	2	ChEMBL_1349796 (CHEMBL3267997)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence assay
50006127	3	ChEMBL_1349798 (CHEMBL3267999)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 50 ng/ml by fluorescence assay
50006127	4	ChEMBL_1349800 (CHEMBL3268001)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 2 ng/ml by fluorescence assay
50006127	5	ChEMBL_1349799 (CHEMBL3268000)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 10 ng/ml by fluorescence assay
50006127	6	ChEMBL_1349802 (CHEMBL3268003)	Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate at 0.08 ng/ml by fluorescence assay
50006128	1	ChEMBL_1350089 (CHEMBL3271625)	Inhibition of HIV1 wild-type reverse transcriptase using [3H]dTTP by scintillation counting
50006128	2	ChEMBL_1350090 (CHEMBL3271626)	Inhibition of HIV1 wild-type reverse transcriptase K103N mutant using [3H]dTTP by scintillation counting
50006128	3	ChEMBL_1350092 (CHEMBL3271628)	Inhibition of HIV1 wild-type reverse transcriptase L1001 mutant using [3H]dTTP by scintillation counting
50006128	4	ChEMBL_1350093 (CHEMBL3271629)	Inhibition of HIV1 wild-type reverse transcriptase V106A mutant using [3H]dTTP by scintillation counting
50006130	1	ChEMBL_1350824 (CHEMBL3266951)	Inhibition of Wistar rat eye lens aldose reductase-2 using D-L glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate addition measured for 4 mins by spectrophotometric analysis
50006131	1	ChEMBL_1359549 (CHEMBL3281967)	Competitive inhibition of Baker's yeast squalene synthetase using [1-3H]farnesyl pyrophosphate as substrate by Lineweaver-Burk graphic analysis
50006132	1	ChEMBL_1360592 (CHEMBL3282287)	Displacement of [3H]naloxone from opiate receptor (unknown origin) after 10 mins
50006132	2	ChEMBL_1360594 (CHEMBL3282289)	Displacement of [3H]naloxone from opiate receptor (unknown origin) after 10 mins in presence of NaCl
50006133	1	ChEMBL_1354146 (CHEMBL3280910)	Displacement of [3H]-naloxone from rat opioid receptor after 30 mins by liquid scintillation counting analysis in presence of NaCl
50006133	2	ChEMBL_1354145 (CHEMBL3280909)	Displacement of [3H]-naloxone from rat opioid receptor after 30 mins by liquid scintillation counting analysis in absence of NaCl
50006135	1	ChEMBL_1355376 (CHEMBL3279511)	Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate assessed as dissociation constant by spectrophotometric titration in presence of 1 mM NAD+
50006136	1	ChEMBL_1356069 (CHEMBL3280527)	Inhibition of Escherichia coli dihydrofolate reductase
50018297	3	ChEMBL_2269127	Displacement of [3H]-methylscopolamine from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50018297	4	ChEMBL_2269128	Displacement of [3H]-methylscopolamine from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50006138	1	ChEMBL_1362875 (CHEMBL3291649)	Inhibition of purified Hepatitis C virus NS5B polymerase S282T mutant
50006139	1	ChEMBL_1363261 (CHEMBL3294460)	Inhibition of bovine brain tubulin polymerization after 15 mins by spectrophotometry
50006140	1	ChEMBL_1364088 (CHEMBL3292027)	Inhibition of recombinant FTase (unknown origin) by spectrofluorimetric analysis
50006141	1	ChEMBL_1364551 (CHEMBL3295606)	Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate assessed as formation of DOPAchrome preincubated for 10 mins followed by substrate addition measured for 1 min
50006143	1	ChEMBL_1361525 (CHEMBL3294849)	Antimicrobial activity against Enterococcus faecalis assessed as inhibition of biofilm formation after 20 hrs by crystal violet staining analysis
50006144	1	ChEMBL_1366249 (CHEMBL3297507)	Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50006144	2	ChEMBL_1366252 (CHEMBL3297510)	Modulation of GABAA alpha3beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as modulation of GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50006144	3	ChEMBL_1366251 (CHEMBL3297509)	Modulation of GABAA alpha2beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as modulation of GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50006144	4	ChEMBL_1366250 (CHEMBL3297508)	Modulation of GABAA alpha1beta3gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as modulation of GABA-induced chloride ion current at holding potential -70 mV by two-microelectrode voltage clamp assay
50006145	1	ChEMBL_1363526 (CHEMBL3292277)	Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as substrate
50006147	1	ChEMBL_1368522 (CHEMBL3300554)	Inhibition of human PDE4
50006149	1	ChEMBL_1459831 (CHEMBL3371217)	Binding affinity to Grb2 SH2 domain (60 to 151) (unknown origin) expressed in Escherichia coli BL21(DE3) after overnight incubation by ELISA
50006149	2	ChEMBL_1459832 (CHEMBL3371218)	Binding affinity to Grb2 SH2 domain (unknown origin)
50006149	3	ChEMBL_1459830 (CHEMBL3371216)	Binding affinity to Grb2 SH2 domain (unknown origin) by ELISA
50006150	1	ChEMBL_1458049 (CHEMBL3367420)	Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated DNA supercoiling using relaxed pBR322 substrate incubated for 60 mins by electrophoresis method
50006151	1	ChEMBL_1390862 (CHEMBL3391330)	Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assay
50006151	2	ChEMBL_1390858 (CHEMBL3391326)	Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation by chemiluminescence assay
50006151	3	ChEMBL_1390860 (CHEMBL3391328)	Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation by chemiluminescence assay
50006151	4	ChEMBL_1390859 (CHEMBL3391327)	Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation by measuring H2O2 production by fluorescence assay in presence of superoxide dismutase
50006151	5	ChEMBL_1390861 (CHEMBL3391329)	Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation by measuring H2O2 production by fluorescence assay in presence of superoxide dismutase
50006151	6	ChEMBL_1390865 (CHEMBL3391333)	Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of lithium dodecyl sulphate-stimulated ROS generation preincubated for 15 mins followed by lithium dodecyl sulphate challenge by cell-free assay in presence of NADPH
50006153	1	ChEMBL_1433025 (CHEMBL3385173)	Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by methylumbelliferone release based fluorescence assay
50006154	1	ChEMBL_1436748 (CHEMBL3385960)	Inhibition of YAP/ GST-TEAD1 (unknown origin) interaction by surface plasmon resonance assay
50006154	2	ChEMBL_1436749 (CHEMBL3385961)	Inhibition of YAP/ GST-TEAD1 interaction in human Bel-7404 cells by GST pull-down assay
50006155	1	ChEMBL_1442190 (CHEMBL3375263)	Inhibition of human USP1/UAF1 using Ub-AMC substrate by fluorescence assay
50006155	2	ChEMBL_1442195 (CHEMBL3375874)	Inhibition of human USP1/UAF1 in human H1299 cells assessed as reduction in colony formation after 7 days
50006156	1	ChEMBL_1435494 (CHEMBL3385314)	Inhibition of P-gp (unknown origin)
50006159	1	ChEMBL_1443114 (CHEMBL3380820)	Activation of GIRK1/2 (unknown origin) by thallium-flux based assay
50006159	2	ChEMBL_1443120 (CHEMBL3371680)	Inhibition of GIRK1/4 (unknown origin) by thallium-flux based assay
50006159	3	ChEMBL_1443118 (CHEMBL3371678)	Inhibition of GIRK1/2 (unknown origin) by thallium-flux based assay
50006159	4	ChEMBL_1443116 (CHEMBL3371676)	Activation of GIRK1/4 (unknown origin) by thallium-flux based assay
50006160	1	ChEMBL_1440701 (CHEMBL3381336)	Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells
50006160	2	ChEMBL_1440700 (CHEMBL3381335)	Displacement of [3H]mesulergine from human 5-HT2B receptor expressed in HEK293 cells
50006160	3	ChEMBL_1440706 (CHEMBL3381341)	Binding affinity to dopamine D2 receptor (unknown origin)
50006160	4	ChEMBL_1440704 (CHEMBL3381339)	Binding affinity to serotonin 5-HT2C receptor (unknown origin)
50006160	5	ChEMBL_1440705 (CHEMBL3381340)	Binding affinity to alpha1-adrenergic receptor (unknown origin)
50006160	6	ChEMBL_1440708 (CHEMBL3381343)	Antagonist activity at human 5-HT2B receptor expressed in HEK293 cells assessed as [3H]PI metabolism
50006160	7	ChEMBL_1440709 (CHEMBL3381344)	Antagonist activity at human 5-HT7 receptor expressed in CHO cells assessed as cAMP production by EIA system
50006160	8	ChEMBL_1440703 (CHEMBL3381338)	Binding affinity to serotonin 5-HT2A receptor (unknown origin)
50006160	9	ChEMBL_1440707 (CHEMBL3381342)	Binding affinity to muscarinic M5 receptor (unknown origin)
50006162	1	ChEMBL_1442366 (CHEMBL3378324)	Agonist activity at human alpha2A adrenoceptor expressed in CHO-K1 cells after 30 mins by [35S]GTPgammaS binding assay
50006162	2	ChEMBL_1442354 (CHEMBL3378312)	Displacement of [3H]RX821002 from alpha2-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting
50006162	3	ChEMBL_1442356 (CHEMBL3378314)	Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting
50006162	4	ChEMBL_1442359 (CHEMBL3378317)	Displacement of [3H]RS-79948-197 from human alpha2C adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting
50006162	5	ChEMBL_1442353 (CHEMBL3378311)	Displacement of [3H]prazosin from alpha1-adrenoceptor in Sprague-Dawley rat brain membranes after 45 mins by liquid scintillation counting
50006162	6	ChEMBL_1442358 (CHEMBL3378316)	Displacement of [3H]RS-79948-197 from human alpha2A adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting
50006162	7	ChEMBL_1442357 (CHEMBL3378315)	Displacement of [3H]RS-79948-197 from human alpha2B adrenoceptor expressed in CHO-K1 cells after 45 mins by liquid scintillation counting
50006163	1	ChEMBL_1442371 (CHEMBL3378329)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM)
50006163	2	ChEMBL_1442377 (CHEMBL3378898)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM)
50006163	3	ChEMBL_1442376 (CHEMBL3378897)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM)
50006163	4	ChEMBL_1442370 (CHEMBL3378328)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM)
50006163	5	ChEMBL_1442373 (CHEMBL3378894)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/- 0.004 uM)
50006163	6	ChEMBL_1442374 (CHEMBL3378895)	Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00 +/- 0.24 uM)
50006164	1	ChEMBL_1443167 (CHEMBL3372297)	Inhibition of equine BChE preincubated for 15 mins by Ellman's method
50006164	2	ChEMBL_1443166 (CHEMBL3372296)	Inhibition of electric eel AChE preincubated for 15 mins by Ellman's method
50006164	3	ChEMBL_1443169 (CHEMBL3372299)	Inhibition of human erythrocyte AChE preincubated for 15 mins by Ellman's method
50006165	1	ChEMBL_1436305 (CHEMBL3388386)	Agonist activity at mouse MrgC11 transfected in HEK293 cells by FLIPR assay
50006165	2	ChEMBL_1436303 (CHEMBL3388384)	Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay
50006165	3	ChEMBL_1436304 (CHEMBL3388385)	Agonist activity at rat MrgX1 transfected in HEK293 cells by FLIPR assay
50006165	4	ChEMBL_1436307 (CHEMBL3388388)	Antagonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay
50006168	1	ChEMBL_1436309 (CHEMBL3388390)	Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity
50006168	2	ChEMBL_1436310 (CHEMBL3388391)	Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysis
50006169	1	ChEMBL_1437716 (CHEMBL3382363)	Inhibition of C-terminal poly-His-tagged Escherichia coli MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay
50006169	2	ChEMBL_1437717 (CHEMBL3382364)	Inhibition of N-terminal poly-His-tagged Staphylococcus aureus COL MetAP expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay
50006169	3	ChEMBL_1438429 (CHEMBL3384241)	Inhibition of N-terminal poly-His-tagged human MetAP-1 expressed in Escherichia coli BL21(DE3) incubated for 30 mins before MGMM substrate addition by fluorescence assay
50006170	1	ChEMBL_1438445 (CHEMBL3384257)	Inhibition of Aspergillus oryzae beta-galactosidase using 2-chloro-4-nitrophenyl beta-Dgalactopyranoside as substrate by spectrophotometry
50006171	1	ChEMBL_1438459 (CHEMBL3384271)	Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay
50006171	2	ChEMBL_1438460 (CHEMBL3384272)	Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay
50006172	1	ChEMBL_1440751 (CHEMBL3382564)	Inhibition of GST-tagged human recombinant TNKS1 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay
50006172	2	ChEMBL_1440753 (CHEMBL3382566)	Inhibition of tankyrase in human DLD1 cells assessed as reduction in Wnt activity after 24 hrs by TCF-luciferase reporter gene assay
50006172	3	ChEMBL_1440752 (CHEMBL3382565)	Inhibition of GST-tagged human recombinant TNKS2 incubated for 1 hr using NAD+, biotinylated NAD+ and activated DNA by luminescence based assay
50006174	1	ChEMBL_1440777 (CHEMBL3382590)	Inhibition of rabbit lung ACE using hippuryl-histidyl-leucine as substrate assessed as release of hippuric acid incubated for 10 mins prior to substrate addition measured after 30 mins by spectrophotometry
50006177	1	ChEMBL_1440788 (CHEMBL3373322)	Inhibition of CYP2D6 (unknown origin) using AMMC by fluorescence assay
50006177	2	ChEMBL_1440787 (CHEMBL3382600)	Inhibition of CYP3A4 (unknown origin) using AMMC by fluorescence assay
50006178	1	ChEMBL_1443215 (CHEMBL3372890)	Inhibition of Plk1 immunoprecipitated from human HeLa cells using casein substrate after 12 to 26 hrs by autoradiography
50006178	2	ChEMBL_1443216 (CHEMBL3372891)	Inhibition of Plk2 immunoprecipitated from human HeLa cells using casein substrate after 12 to 26 hrs by autoradiography
50006178	3	ChEMBL_1443217 (CHEMBL3372892)	Inhibition of Plk3 immunoprecipitated from human HeLa cells using casein substrate after 12 to 26 hrs by autoradiography
50006180	1	ChEMBL_1431546 (CHEMBL3390467)	Competitive inhibition of human recombinant ribonucleotide reductase in presence of varying levels of ATP by Dixon plot
50006181	1	ChEMBL_1437098 (CHEMBL3381112)	Inhibition of HDAC1/HDAC2 in human HeLa cell extract incubated for 5 mins prior to substrate addition measured after 30 mins by microtitre plate reader analysis
50006184	1	ChEMBL_1443263 (CHEMBL3374104)	Inhibition of Staphylococcus aureus DNA gyrase using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay
50006184	2	ChEMBL_1442479 (CHEMBL3380749)	Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay
50006187	1	ChEMBL_1443331 (CHEMBL3375306)	Binding affinity to human CDK4/cyclinD1 using GST-pRB152 as substrate by chemiluminescence assay
50006187	2	ChEMBL_1443334 (CHEMBL3375309)	Binding affinity to human CDK1/cyclinB1
50006187	3	ChEMBL_1443332 (CHEMBL3375307)	Binding affinity to human CDK2/cyclinA using GST-pRB152 as substrate by chemiluminescence assay
50006187	4	ChEMBL_1443333 (CHEMBL3375308)	Binding affinity to human CDK2/cyclinE
50006187	5	ChEMBL_1443335 (CHEMBL3375310)	Binding affinity to human CDK9/cyclinT1
50006188	1	ChEMBL_1432667 (CHEMBL3389382)	Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis
50006188	2	ChEMBL_1432669 (CHEMBL3389384)	Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis
50006188	3	ChEMBL_1432670 (CHEMBL3389385)	Inhibition of integrin alphavbeta8 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis
50006188	4	ChEMBL_1432668 (CHEMBL3389383)	Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis
50006188	5	ChEMBL_1432677 (CHEMBL3389921)	Inhibition of integrin alphavbeta6 (unknown origin) by Merck AG cell assay
50006188	6	ChEMBL_1432678 (CHEMBL3389922)	Inhibition of integrin alphavbeta3 (unknown origin) by Monsanto binding assay
50006188	7	ChEMBL_1432676 (CHEMBL3389920)	Inhibition of integrin alphavbeta6 (unknown origin) by Merck binding assay
50006188	8	ChEMBL_1432679 (CHEMBL3389923)	Inhibition of integrin alphavbeta3 (unknown origin) by Merck binding assay
50006189	1	ChEMBL_1432680 (CHEMBL3389924)	Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20 mins before substrate addition by LC/MS/MS analysis
50006191	1	ChEMBL_1440214 (CHEMBL3383759)	Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) expressed in COS7 cells by NR0B1-luciferase reporter gene assay
50006191	2	ChEMBL_1440215 (CHEMBL3383760)	Binding affinity to purified recombinant EWS-FLI1 (unknown origin) after 1 hr by colorimetric phosphatase assay
50006192	1	ChEMBL_1442655 (CHEMBL3373461)	Transactivation of PPAR transfected in human HepG2 cells after 20 hrs by PPAR-luciferase assay
50006195	1	ChEMBL_1442819 (CHEMBL3376524)	Inhibition of Pseudomonas aeruginosa pseudolysin using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys-(Dnp)-OH as substrate after 1 hr by fluorescence assay in presence of Brij-35
50006195	2	ChEMBL_1442820 (CHEMBL3376525)	Inhibition of Pseudomonas aeruginosa pseudolysin using Abz-Ala-Gly-Leu-Ala-p-nitrobenzylamide as substrate after 15 mins
50006196	1	ChEMBL_1445235 (CHEMBL3376072)	Non-competitive inhibition of rat alpha3beta4 nAChR expressed in KX cells assessed as reduction in current by whole-cell patch clamp assay
50006197	1	ChEMBL_1445375 (CHEMBL3379074)	Inhibition of BCR/ABL (unknown origin) after 40 mins by ADP-Glo kinase assay
50006199	1	ChEMBL_1458876 (CHEMBL3368775)	Antagonist activity at alphavbeta6 integrin receptor in human HT29 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	2	ChEMBL_1458885 (CHEMBL3368784)	Antagonist activity at alphavbeta8 integrin receptor (unknown origin) by cell-free ELISA
50006199	3	ChEMBL_1458870 (CHEMBL3368769)	Antagonist activity at alphavbeta5 integrin receptor (unknown origin) by cell-free ELISA
50006199	5	ChEMBL_1458881 (CHEMBL3368780)	Antagonist activity at alphavbeta1 integrin receptor (unknown origin) by cell-free ELISA
50006199	6	ChEMBL_1458866 (CHEMBL3368765)	Antagonist activity at alpha2bbeta3 integrin receptor (unknown origin) by cell-free ELISA
50006199	7	ChEMBL_1458867 (CHEMBL3368766)	Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISA
50006199	8	ChEMBL_1458871 (CHEMBL3368770)	Antagonist activity at alpha5beta1 integrin receptor (unknown origin) by cell-free ELISA
50006199	9	ChEMBL_1458872 (CHEMBL3368771)	Antagonist activity at alphavbeta6 integrin receptor (unknown origin) by cell-free ELISA
50006199	10	ChEMBL_1458873 (CHEMBL3368772)	Antagonist activity at alphavbeta1 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	11	ChEMBL_1458874 (CHEMBL3368773)	Antagonist activity at alphavbeta3 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	12	ChEMBL_1458875 (CHEMBL3368774)	Antagonist activity at alphavbeta5 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	13	ChEMBL_1458877 (CHEMBL3368776)	Antagonist activity at human recombinant alphavbeta8 integrin receptor expressed in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	18	ChEMBL_1458886 (CHEMBL3368785)	Antagonist activity at alpha2beta1 integrin receptor (unknown origin) by cell-free ELISA
50006199	19	ChEMBL_1458887 (CHEMBL3368786)	Antagonist activity at alpha4beta7 integrin receptor (unknown origin) by cell-free ELISA
50006199	20	ChEMBL_1458869 (CHEMBL3368768)	Antagonist activity at mouse endothelial alpha2bbeta3 integrin receptor by cell adhesion assay
50006199	21	ChEMBL_1458868 (CHEMBL3368767)	Antagonist activity at mouse endothelial alphavbeta3 integrin receptor by cell adhesion assay
50006199	22	ChEMBL_1458878 (CHEMBL3368777)	Antagonist activity at alpha5beta1 integrin receptor in K562 cells after 4 hrs using p-nitrophenyl phosphate by colorimetry
50006199	23	ChEMBL_1458888 (CHEMBL3368787)	Antagonist activity at alpha10beta1 integrin receptor (unknown origin) by cell-free ELISA
50006200	1	ChEMBL_1455392 (CHEMBL3363288)	Displacement of [125I]1-Iodo-4-((4-methoxyphenoxy)methyl)benzene from amyloid beta42 (unknown origin) after 3 hrs by gamma counting
50006200	2	ChEMBL_1455391 (CHEMBL3363287)	Binding affinity to amyloid beta42 (unknown origin) after 3 hrs by gamma counting
50006203	1	ChEMBL_1452794 (CHEMBL3365136)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry
50006204	1	ChEMBL_1449508 (CHEMBL3374497)	Inhibition of JAK2 V617F mutant in human SET2 cells
50006204	2	ChEMBL_1449504 (CHEMBL3374493)	Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP
50006206	1	ChEMBL_1449543 (CHEMBL3375115)	Inhibition of rabbit muscle glycogen phosphorylase b at pH 6.8 assessed as inorganic phosphate release
50006207	1	ChEMBL_1447865 (CHEMBL3378043)	Negative allosteric modulation of recombinant HA-tagged GB1 subunit/Flag-tagged GB2 subunit receptor (unknown origin) expressed in HEK293 cells co-expressing Gqi9 G-protein assessed as inhibition of GABA-induced IP production by liquid scintillation counting
50006208	1	ChEMBL_1451268 (CHEMBL3362771)	Antagonist activity at rat alpha3beta4 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assay
50006208	2	ChEMBL_1451264 (CHEMBL3362767)	Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysis
50006208	3	ChEMBL_1451266 (CHEMBL3362769)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysis
50006208	4	ChEMBL_1451265 (CHEMBL3362768)	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR transfected in HEK293 cells after 4 hrs by scintillation count analysis
50006208	5	ChEMBL_1451267 (CHEMBL3362770)	Antagonist activity at mouse alpha4beta2 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assay
50006208	6	ChEMBL_1451263 (CHEMBL3362766)	Inhibition of rat membrane alpha4beta2 nAChR by [3H]cytisine binding assay
50006209	1	ChEMBL_1455702 (CHEMBL3366377)	Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation counting
50006209	2	ChEMBL_1455701 (CHEMBL3366376)	Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting
50006209	3	ChEMBL_1455703 (CHEMBL3366378)	Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting
50006209	4	ChEMBL_1455706 (CHEMBL3366381)	Displacement of [3H]-NMS from wild-type human muscarinic M5 receptor expressed in CHO-K1 cells by liquid scintillation counting
50006209	5	ChEMBL_1455704 (CHEMBL3366379)	Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting
50006209	6	ChEMBL_1455705 (CHEMBL3366380)	Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting
50006210	1	ChEMBL_1455710 (CHEMBL3366385)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting
50006210	2	ChEMBL_1455712 (CHEMBL3366387)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK293 cells by scintillation counting
50006210	3	ChEMBL_1455711 (CHEMBL3366386)	Displacement of [3H]diprenorphine from human delta opioid receptor expressed in HEK293 cells by scintillation counting
50006211	1	ChEMBL_1455726 (CHEMBL3366401)	Inhibition of Candida albicans ATCC 10231 isocitrate lyase
50006212	1	ChEMBL_1455743 (CHEMBL3366771)	Antagonist activity at 5-HT6 receptor (unknown origin)
50006213	1	ChEMBL_1455744 (CHEMBL3366772)	Allosteric modulatory activity at FLAG-tagged wild type human cytomegalovirus US28 receptor expressed in HEK293T cells by PathDetectElk1 assay
50006213	2	ChEMBL_1456669 (CHEMBL3370504)	Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assay
50006214	1	ChEMBL_1456698 (CHEMBL3370754)	Binding affinity to RXRalpha ligand binding domain (unknown origin) expressed in human HEK293T cells by SPR assay
50006214	2	ChEMBL_1456697 (CHEMBL3370753)	Antagonist activity against Myc-tagged RXRalpha ligand binding domain (unknown origin) expressed in human HEK293T cells assessed as inhibition of 9-cis-RA-induced receptor transactivation after 18 hrs by luciferase reporter gene based mammalian one-hybrid assay
50006215	1	ChEMBL_1457588 (CHEMBL3368438)	Inhibition of human PKCzeta assessed as phosphorylation reaction after 4 mins incubation by cell-free assay
50006215	2	ChEMBL_1457593 (CHEMBL3368443)	Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kappaB activation by reporter gene assay
50006215	3	ChEMBL_1457608 (CHEMBL3368458)	Inhibition of iNOS induction in mouse RAW264.7 cells assessed as NO production
50006215	4	ChEMBL_1457595 (CHEMBL3368445)	Inhibition of PKCzeta val297leu mutant (unknown origin) assessed as phosphorylation reaction after 4 mins incubation by cell-free assay
50006216	1	ChEMBL_1458503 (CHEMBL3370620)	Inhibition of equine serum BChE using ATC iodide substrate by DTNB based assay
50006216	2	ChEMBL_1458502 (CHEMBL3370619)	Inhibition of electric eel AChE using ATC iodide substrate by DTNB based assay
50006217	1	ChEMBL_1458549 (CHEMBL3370867)	Inhibition of bovine milk xanthine oxidoreductase by spectrophotometry
50006217	2	ChEMBL_1458554 (CHEMBL3370872)	Mixed-type inhibition of bovine xanthine oxidase
50006217	3	ChEMBL_1458553 (CHEMBL3370871)	Inhibition of Rhodobacter capsulatus xanthine dehydrogenase
50006217	4	ChEMBL_1458552 (CHEMBL3370870)	Inhibition of xanthine oxidase (unknown origin) at 37 degC at ph 7..8
50006217	5	ChEMBL_1458551 (CHEMBL3370869)	Inhibition of oxidized form of human xanthine oxidase
50006217	6	ChEMBL_1458550 (CHEMBL3370868)	Inhibition of human xanthine oxidase
50006217	7	ChEMBL_1458555 (CHEMBL3370873)	Mixed-type inhibition of bovine xanthine oxidase assessed as enzyme-inhibitor complex
50006220	1	ChEMBL_1459374 (CHEMBL3368019)	Inhibition of human Nav1.7 expressed in HEK293 cells by PatchXpress method
50006220	2	ChEMBL_1459376 (CHEMBL3368021)	Inhibition of human Nav1.7 expressed in HEK293 cells by FLIPR method
50006220	3	ChEMBL_1459378 (CHEMBL3368023)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as half-maximal voltage for steady state inactivation by QPatch method
50006220	4	ChEMBL_1459368 (CHEMBL3368013)	Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells by PatchXpress method
50006220	5	ChEMBL_1459371 (CHEMBL3368016)	Inhibition of Nav1.7 (unknown origin) by PatchXpress method
50006220	6	ChEMBL_1459369 (CHEMBL3368014)	Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells by IonWorks patch-clamp method
50006220	7	ChEMBL_1459366 (CHEMBL3368011)	Inhibition of human Nav1 .8 expressed in HEK cells by PatchXpress electrophysiological assay
50006220	8	ChEMBL_1459367 (CHEMBL3368012)	Inhibition of human Nav1.7 expressed in HEK cells by whole-cell patch-clamp technique
50006220	9	ChEMBL_1459370 (CHEMBL3368015)	Inhibition of Nav1.7 (unknown origin)
50006220	10	ChEMBL_1459372 (CHEMBL3368017)	Inhibition of Nav1.5 (unknown origin)
50006220	11	ChEMBL_1459373 (CHEMBL3368018)	Inhibition of Nav1.5 (unknown origin) by PatchXpress method
50006220	12	ChEMBL_1459377 (CHEMBL3368022)	Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology method
50006220	13	ChEMBL_1459379 (CHEMBL3368024)	Inhibition of human Nav1.7 expressed in HEK cells by patch-clamp method
50006223	1	ChEMBL_1459381 (CHEMBL3368026)	Correction of defective trafficking of human deltaF508 mutant CFTR protein expressed in FRT epithelial cells coexpressing YFP-H148Q/I152L protein assessed as iodide influx for 16 to 20 hrs by fluorescence assay
50006224	1	ChEMBL_1460187 (CHEMBL3369412)	Inhibition of rabbit muscle glycogen phosphorylase a assessed as inhibition of release of phosphate from glucose-1-phosphate after 30 mins by spectrophotometry
50006228	1	ChEMBL_1446990 (CHEMBL3373747)	Inhibition of PDE5 (unknown origin)
50006228	2	ChEMBL_1446994 (CHEMBL3374321)	Inhibition of PDE9 (unknown origin)
50006228	3	ChEMBL_1446992 (CHEMBL3373749)	Inhibition of PDE7 (unknown origin)
50006228	4	ChEMBL_1446991 (CHEMBL3373748)	Inhibition of PDE6 (unknown origin)
50006228	5	ChEMBL_1446988 (CHEMBL3373745)	Inhibition of PDE3 (unknown origin)
50006228	6	ChEMBL_1446987 (CHEMBL3373744)	Inhibition of PDE2 (unknown origin)
50006228	7	ChEMBL_1460217 (CHEMBL3369681)	Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 30 mins prior to substrate addition measured after 3 hrs to overnight by IMAP FRET assay
50006228	8	ChEMBL_1446993 (CHEMBL3374320)	Inhibition of PDE8 (unknown origin)
50006228	9	ChEMBL_1446989 (CHEMBL3373746)	Inhibition of PDE4 (unknown origin)
50006228	10	ChEMBL_1446986 (CHEMBL3373743)	Inhibition of PDE1 (unknown origin)
50006228	11	ChEMBL_1446995 (CHEMBL3374322)	Inhibition of PDE11 (unknown origin)
50006229	1	ChEMBL_1446997 (CHEMBL3374324)	Inhibition of androgen receptor in human LNCaP cells assessed as inhibition of prostate-specific antigen secretion into media after 3 days
50006229	2	ChEMBL_1446996 (CHEMBL3374323)	Inhibition of androgen receptor transcriptional activity in human LNCaP cells after 3 days by eGFP assay
50006230	1	ChEMBL_1455795 (CHEMBL3361507)	Inhibition of MEK1/2 in rat IEC6 cells assessed as reduction in ERK1/2 loop phosphorylation dosed 30 mins before to stimulation with 10% serum for 5 mins by immunoblotting method
50006236	1	ChEMBL_1450636 (CHEMBL3362700)	Inhibition of HSP90 (unknown origin)
50006237	1	ChEMBL_1451540 (CHEMBL3365061)	Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay
50006237	2	ChEMBL_1451537 (CHEMBL3365058)	Agonist activity at human alpha4beta2 nAChR low sensitivity isoform transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay
50006237	3	ChEMBL_1451534 (CHEMBL3365055)	Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting
50006237	4	ChEMBL_1451535 (CHEMBL3365056)	Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting
50006237	5	ChEMBL_1451536 (CHEMBL3365057)	Agonist activity at human alpha4beta2 nAChR transfected in SH-EP1 cells assessed as calcium flux by FLIPR assay
50006240	1	ChEMBL_1461346 (CHEMBL3396196)	Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay
50006241	1	ChEMBL_1465577 (CHEMBL3404730)	Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green fluorescence protein reporter assay
50006243	1	ChEMBL_1465240 (CHEMBL3406303)	Inhibition of amyloid beta (1 to 40) (unknown origin) aggregation
50006244	1	ChEMBL_1465276 (CHEMBL3406495)	Inhibition of HIF1 in human HT1080 cells transfected with 5xHRE/pGL3/VEGF/E1b reporter plasmid pre-incubated for 1 hr followed by incubation under hypoxia conditions for 24 hrs by HRE-driven luciferase reporter gene assay
50006245	1	ChEMBL_1465841 (CHEMBL3406146)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells
50006245	2	ChEMBL_1465848 (CHEMBL3406337)	Inhibition of CDK9/cyclin T1 (unknown origin) expressed in baculovirus infected Sf9 cells
50006245	3	ChEMBL_1465846 (CHEMBL3406335)	Inhibition of CDK4/cyclin D1 (unknown origin) expressed in baculovirus infected Sf9 cells
50006245	4	ChEMBL_1465847 (CHEMBL3406336)	Inhibition of CDK7/cyclin H (unknown origin) expressed in baculovirus infected Sf9 cells
50006245	5	ChEMBL_1465845 (CHEMBL3406334)	Inhibition of CDK1/cyclin B (unknown origin) expressed in baculovirus infected Sf9 cells
50006247	1	ChEMBL_1467488 (CHEMBL3411111)	Inhibition of human recombinant KDM1A/CoREST complex expressed in Escherichia coli using mono-methylated H3-K4 peptide containing 21 amino acids as substrate preincubated for 15 mins followed by substrate addition measured for 12 mins by fluorescence assay
50006248	1	ChEMBL_1469610 (CHEMBL3412867)	Inhibition of Wistar rat lenses ALR2 using D,L-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured after 5 mins by spectrophotometry
50006249	1	ChEMBL_1467182 (CHEMBL3411379)	Displacement of [125I]echistatin from purified human alphaVbeta3 receptor after 3 hrs by gamma counting
50006249	2	ChEMBL_1467183 (CHEMBL3411380)	Binding affinity to alphaVbeta5 receptor (unknown origin)
50006250	1	ChEMBL_1472728 (CHEMBL3418861)	Binding affinity to influenza A virus A/WSN/33 (H1N1) Hemagglutinin by surface Plasmon resonance assay
50006251	1	ChEMBL_1471981 (CHEMBL3421126)	Inhibition of HDAC1/2 in human HeLa cells using color de lys as substrate after 30 mins by colorimetric analysis
50006252	1	ChEMBL_1472450 (CHEMBL3420603)	Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophotometric analysis
50006253	1	ChEMBL_1475615 (CHEMBL3424709)	Inhibition of against CDK2/cyclinE1 (unknown origin) using Ulight-CFFKNIVTPRTPPPSQGK-amide substrate and ATP incubated for 15 mins by fluorescence based assay
50006253	2	ChEMBL_1475616 (CHEMBL3424710)	Inhibition of against CDK9/cyclinT1 (unknown origin) using Ulight-CFFKNIVTPRTPPPSQGK-amide substrate and ATP incubated for 90 mins by fluorescence based assay
50006254	1	ChEMBL_1474111 (CHEMBL3424044)	Binding affinity to Keap1/Nrf2 complex (unknown origin) by fluorescence polarization assay
50006254	2	ChEMBL_1474112 (CHEMBL3424045)	Binding affinity to Keap1/Nrf2 complex (unknown origin) by ITC method
50006254	3	ChEMBL_1474110 (CHEMBL3424043)	Inhibition of Keap1/Nrf2 complex (unknown origin)
50006255	1	ChEMBL_1476087 (CHEMBL3428717)	Disruption of human recombinant c-Myc-Max/DNA (unknown origin) binding assessed as complex level by electrophoretic mobility shift assay relative to control
50006255	2	ChEMBL_1476088 (CHEMBL3428718)	Disruption of human recombinant Myc(L)-Max(L)/DNA (unknown origin) binding assessed as complex level by electrophoretic mobility shift assay relative to control
50006255	3	ChEMBL_1476091 (CHEMBL3428721)	Binding affinity to human recombinant 15N labeled c-Myc-Max(S) heterodimer assessed as chemical shift up to 100 uM by NMR spectroscopy
50006256	1	ChEMBL_1479192 (CHEMBL3436168)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	2	ChEMBL_1479208 (CHEMBL3436184)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	3	ChEMBL_1479226 (CHEMBL3436202)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	4	ChEMBL_1479236 (CHEMBL3436212)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	5	ChEMBL_1479182 (CHEMBL3436158)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	6	ChEMBL_1479187 (CHEMBL3436163)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	7	ChEMBL_1479189 (CHEMBL3436165)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	8	ChEMBL_1479191 (CHEMBL3436167)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	9	ChEMBL_1479193 (CHEMBL3436169)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	10	ChEMBL_1479196 (CHEMBL3436172)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	11	ChEMBL_1479198 (CHEMBL3436174)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	12	ChEMBL_1479199 (CHEMBL3436175)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	13	ChEMBL_1479202 (CHEMBL3436178)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	14	ChEMBL_1479205 (CHEMBL3436181)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	15	ChEMBL_1479206 (CHEMBL3436182)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	16	ChEMBL_1479209 (CHEMBL3436185)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	17	ChEMBL_1479212 (CHEMBL3436188)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	18	ChEMBL_1479213 (CHEMBL3436189)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	19	ChEMBL_1479216 (CHEMBL3436192)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	20	ChEMBL_1479217 (CHEMBL3436193)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	21	ChEMBL_1479219 (CHEMBL3436195)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	22	ChEMBL_1479222 (CHEMBL3436198)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	23	ChEMBL_1479223 (CHEMBL3436199)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	24	ChEMBL_1479225 (CHEMBL3436201)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	25	ChEMBL_1479227 (CHEMBL3436203)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	26	ChEMBL_1479228 (CHEMBL3436204)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	27	ChEMBL_1479231 (CHEMBL3436207)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	28	ChEMBL_1479232 (CHEMBL3436208)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	29	ChEMBL_1479183 (CHEMBL3436159)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	30	ChEMBL_1479197 (CHEMBL3436173)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	31	ChEMBL_1479207 (CHEMBL3436183)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	32	ChEMBL_1479221 (CHEMBL3436197)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	33	ChEMBL_1479234 (CHEMBL3436210)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	34	ChEMBL_1479215 (CHEMBL3436191)	Inhibition of Cav1.2 current measured using PatchXpress automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	35	ChEMBL_1479188 (CHEMBL3436164)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	36	ChEMBL_1479210 (CHEMBL3436186)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	37	ChEMBL_1479184 (CHEMBL3436160)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	38	ChEMBL_1479218 (CHEMBL3436194)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	39	ChEMBL_1479195 (CHEMBL3436171)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	40	ChEMBL_1479230 (CHEMBL3436206)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	41	ChEMBL_1479185 (CHEMBL3436161)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	42	ChEMBL_1479194 (CHEMBL3436170)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	43	ChEMBL_1479200 (CHEMBL3436176)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	44	ChEMBL_1479204 (CHEMBL3436180)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	45	ChEMBL_1479211 (CHEMBL3436187)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	46	ChEMBL_1479214 (CHEMBL3436190)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	47	ChEMBL_1479220 (CHEMBL3436196)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	48	ChEMBL_1479224 (CHEMBL3436200)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	49	ChEMBL_1479229 (CHEMBL3436205)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	50	ChEMBL_1479233 (CHEMBL3436209)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	51	ChEMBL_1479186 (CHEMBL3436162)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	52	ChEMBL_1479203 (CHEMBL3436179)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	53	ChEMBL_1479235 (CHEMBL3436211)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	54	ChEMBL_1479201 (CHEMBL3436177)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006256	55	ChEMBL_1479190 (CHEMBL3436166)	Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits
50006257	1	ChEMBL_1482820 (CHEMBL3539672)	Induction of CYP2B6 activity in human donor hepatocytes assessed as hydroxybupropion formation after 48 hrs by LC/MS method
50006258	1	ChEMBL_1496896 (CHEMBL3578441)	Antibacterial activity against Enterococcus faecalis ATCC 51299 assessed as growth inhibition using fresh sample in DMSO by CLSI method
50006259	1	ChEMBL_1495718 (CHEMBL3578791)	Competitive inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as release of 4-methylumbelliferone measured for 10 mins by Dixon plot analysis
50006259	2	ChEMBL_1495717 (CHEMBL3578790)	Inhibition of L3 larval stage of Onchocerca volvulus chitinase using 4-methylumbelliferyl-N-N'-N''-beta-chitotrioside as substrate assessed as release of 4-methylumbelliferone measured for 10 mins by fluorescence assay
50006260	1	ChEMBL_1496717 (CHEMBL3579420)	Inhibition of N-terminal autoprocessing of transframe region-comprising wild type HIV1 protease precursor by SDS-PAGE method
50006260	2	ChEMBL_1496710 (CHEMBL3579413)	Inhibition of wild type HIV1 protease
50006261	1	ChEMBL_1498249 (CHEMBL3583672)	Inhibition of GPAT in BALB/c mouse mitochondria using 14C-labeled glycerol-3-phosphate and palmitoyl-CoA incubated for 10 mins by scintillation counting method
50006262	1	ChEMBL_1498251 (CHEMBL3583772)	Inhibition of human DNA topoisomerase-1 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from relaxation after 30 mins by agarose gel electrophoresis
50006262	2	ChEMBL_1498252 (CHEMBL3583773)	Inhibition of human DNA topoisomerase-2 using supercoiled pBAD-GFPuv plasmid DNA as substrate assessed as prevention of supercoiled DNA template from relaxation after 30 mins by agarose gel electrophoresis
50006263	1	ChEMBL_1499512 (CHEMBL3584170)	Inhibition of Influenza A virus A/PR/8/34 (H1N1) neuraminidase activity measured in infected MDCK cells using MUNANA as substrate assessed as fluorescence intensity after 48 hrs
50006265	1	ChEMBL_1499863 (CHEMBL3583195)	Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in presence of Mg2+
50006265	2	ChEMBL_1499862 (CHEMBL3583194)	Inhibition of HIV-1 integrase assessed as inhibition of 3'-processing activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in presence of Mg2+
50006265	3	ChEMBL_1499865 (CHEMBL3583197)	Inhibition of RNase H function of HIV1 reverse transcriptase using DNA/RNA hybrid as substrate by fluorescence spectrometer analysis
50006270	1	ChEMBL_1498205 (CHEMBL3583529)	Inhibition of wild type HIV1 protease
50006271	1	ChEMBL_1501272 (CHEMBL3587981)	Inhibition of wild-type HIV1 Reverse transcriptase p66/p51 assessed as relative fluorescence signal after 40 mins
50006271	2	ChEMBL_1501336 (CHEMBL3588118)	Inhibition of HIV1 integrase
50006272	1	ChEMBL_1501370 (CHEMBL3588322)	Antibacterial activity against Enterococcus faecalis CECT 481 assessed as inhibition of microbial growth incubated for 18 hrs by 2-fold microtiter broth dilution method
50006273	1	ChEMBL_1502686 (CHEMBL3593060)	Inhibition of dopamine beta-oxygenase (unknown origin)
50006274	1	ChEMBL_1502255 (CHEMBL3591334)	Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expressed in HEK293T cell membranes by scintillation counting analysis
50006274	2	ChEMBL_1502260 (CHEMBL3591339)	Agonist activity at HCA3 receptor (unknown origin) expressed in CHOK1 cells assessed as ERK1/2 phosphorylation by ELISA
50006274	3	ChEMBL_1502259 (CHEMBL3591338)	Agonist activity at HCA2 receptor (unknown origin) expressed in CHOK1 cells assessed as ERK1/2 phosphorylation by ELISA
50006275	1	ChEMBL_1504433 (CHEMBL3592998)	Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
50006275	2	ChEMBL_1504436 (CHEMBL3593001)	Inhibition of human alpha5beta3 integrin expressed in human SK-MEL-24 cells assessed as inhibition of cell adhesion to fibronectin
50006275	3	ChEMBL_1504437 (CHEMBL3593002)	Inhibition of human alpha4beta7 integrin expressed in human RPMI8866 cells assessed as inhibition of cell adhesion to MadCam1
50006275	4	ChEMBL_1504438 (CHEMBL3593003)	Antagonist activity at human alpha4beta1integrin in human Jurkat cells assessed as reduction of VCAM-1-induced ERK1/2 phosphorylation after 60 mins by Western blot analysis
50006275	5	ChEMBL_1504434 (CHEMBL3592999)	Inhibition of human alpha5beta1 integrin expressed in human K-562 cells assessed as inhibition of cell adhesion to fibronectin
50006276	1	ChEMBL_1505976 (CHEMBL3595644)	Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method
50006276	2	ChEMBL_1505977 (CHEMBL3595645)	Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method
50006277	1	ChEMBL_1506116 (CHEMBL3596046)	Inhibition of HDAC1/2 in human HeLa cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assay
50006278	1	ChEMBL_1504777 (CHEMBL3595062)	Inhibition of HDAC1/2 in human HeLa cell nuclear extracts preincubated for 5 mins followed by substrate addition measured after 0.5 hrs by Color de Lys assay
50006279	1	ChEMBL_1504947 (CHEMBL3595596)	Inhibition of HIV1 recombinant wild type reverse transcriptase p66/p51 assessed as reduction in biotin deoxyuridine triphosphate (biotin-dUTP) incorporation using poly(rA)/oligo (dT)16 template and primer by spectrofluorometry
50006280	1	ChEMBL_1505189 (CHEMBL3594731)	Inhibition of recombinant GluN1/GluN2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whole-cell voltage-clamp method
50006280	2	ChEMBL_1505187 (CHEMBL3594729)	Inhibition of recombinant GluN1/GluN2B receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whole-cell voltage-clamp method
50006280	3	ChEMBL_1505190 (CHEMBL3594732)	Inhibition of recombinant GluN1/GluN2C receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whole-cell voltage-clamp method
50006280	4	ChEMBL_1505252 (CHEMBL3594877)	Inhibition of recombinant GluN1/GluN2D receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whole-cell voltage-clamp method
50006281	1	ChEMBL_1506353 (CHEMBL3599432)	Inhibition of human laforin using pNPP substrate by spectrophotometry
50006281	2	ChEMBL_1506351 (CHEMBL3599430)	Inhibition of human PTPepsilon using pNPP substrate by spectrophotometry
50006281	3	ChEMBL_1506349 (CHEMBL3599428)	Inhibition of human PTP-Meg2 using pNPP substrate by spectrophotometry
50006281	4	ChEMBL_1506223 (CHEMBL3598592)	Inhibition of human PTP1B using pNPP substrate by spectrophotometry
50006281	5	ChEMBL_1506350 (CHEMBL3599429)	Inhibition of human CD45 using pNPP substrate by spectrophotometry
50006281	6	ChEMBL_1506348 (CHEMBL3599427)	Inhibition of human SHP1 using pNPP substrate by spectrophotometry
50006281	7	ChEMBL_1506352 (CHEMBL3599431)	Inhibition of human VHR using pNPP substrate by spectrophotometry
50006281	8	ChEMBL_1506347 (CHEMBL3599426)	Inhibition of human SHP2 using pNPP substrate by spectrophotometry
50006282	1	ChEMBL_1506392 (CHEMBL3599582)	Activation of TRPA1 in rat astrocytes assessed as induction of Ca2+ influx by calcium green-1/acetoxymethyl ester-based fluorescence assay
50006283	1	ChEMBL_1506653 (CHEMBL3598605)	Inhibition of RET (unknown origin) using ATP and 5FAM tagged TrkA peptide substrate incubated for 60 mins by microfluidics assay
50006283	2	ChEMBL_1506652 (CHEMBL3598604)	Inhibition of human recombinant TrkA using ATP and 5FAM tagged TrkA peptide substrate incubated for 60 mins by microfluidics assay
50006283	3	ChEMBL_1506655 (CHEMBL3598607)	Inhibition of EphB2 (unknown origin) using ATP and 5FAM tagged TrkA peptide substrate incubated for 60 mins by microfluidics assay
50006283	4	ChEMBL_1506654 (CHEMBL3598606)	Inhibition of KDR (unknown origin) using ATP and 5FAM tagged TrkA peptide substrate incubated for 60 mins by microfluidics assay
50006284	1	ChEMBL_1507547 (CHEMBL3599803)	Inhibition of HIV1 His6-tagged integrase assessed as inhibition of interaction with recombinant flag-tagged LEDGF/p75 incubated for 30 mins prior to substrate addition measured after 1 hr by AlphaScreen assay
50006287	1	ChEMBL_1506590 (CHEMBL3598343)	Inhibition of His-tagged HIV-1 integrase-mediated 3' processing and strand transfer reactions using 5'-ACAGGCCTAGCACGCGTCG-Biotin-3' annealed with 5'-CGACGCGTGGTAGGCCTGT-Biotin3'/5'-Cy5-ATGTGGAAAATCTCTAGCAGT-3' annealed with 5'-Cy5-TGAGCTCGAGATTTTCCACAT-3' as donar/acceptor DNA substrate preincubated for 1 hr followed by DNA and LEDGF/p75 addition measured after 90 mins by HTRF assay in presence of 300 mM sucrose
50006287	2	ChEMBL_1506589 (CHEMBL3598342)	Inhibition of His-tagged HIV-1 integrase-mediated 3' processing and strand transfer reactions using 5'-ACAGGCCTAGCACGCGTCG-Biotin-3' annealed with 5'-CGACGCGTGGTAGGCCTGT-Biotin3'/5'-Cy5-ATGTGGAAAATCTCTAGCAGT-3' annealed with 5'-Cy5-TGAGCTCGAGATTTTCCACAT-3' as donar/acceptor DNA substrate preincubated for 1 hr followed by DNA and LEDGF/p75 addition measured after 90 mins by HTRF assay
50006287	3	ChEMBL_1506588 (CHEMBL3598341)	Binding affinity to recombinant HIV-1 integrase catalytic core domain expressed in Escherichia coli assessed as inhibition of interaction with LEDFG/P75 by HTRF assay
50006288	1	ChEMBL_1508397 (CHEMBL3602335)	Inhibition of Helicobacter pylori urease assessed as ammonia production preincubated for 1.5 hrs by indophenol method
50006291	1	ChEMBL_1510235 (CHEMBL3606764)	Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay
50006292	1	ChEMBL_1511389 (CHEMBL3606514)	Inhibition of HIV1 protease
50006293	1	ChEMBL_1513158 (CHEMBL3610686)	Inhibition of recombinant Influenza A virus H1N1 neuraminidase
50006293	2	ChEMBL_1513160 (CHEMBL3610688)	Inhibition of recombinant Influenza A virus H3N2 neuraminidase
50006293	3	ChEMBL_1513159 (CHEMBL3610687)	Inhibition of recombinant Influenza A virus H5N1 neuraminidase
50006294	1	ChEMBL_1513506 (CHEMBL3611932)	Inhibition of HIV1 reverse transcriptase
50006294	2	ChEMBL_1513515 (CHEMBL3611941)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation
50006296	1	ChEMBL_1512210 (CHEMBL3611492)	Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction of Akt phosphorylation at Ser473 in presence of 0.5% fetal calf serum
50006296	2	ChEMBL_1512205 (CHEMBL3611487)	Inhibition of PI3Kbeta (unknown origin)
50006296	3	ChEMBL_1512204 (CHEMBL3611486)	Inhibition of PI3Kalpha (unknown origin)
50006296	4	ChEMBL_1512206 (CHEMBL3611488)	Inhibition of PI3Kgamma (unknown origin)
50006296	5	ChEMBL_1512207 (CHEMBL3611489)	Inhibition of PI3Kdelta (unknown origin)
50006296	6	ChEMBL_1512223 (CHEMBL3611505)	Inhibition of PI4Kbeta (unknown origin)
50006297	1	ChEMBL_1512237 (CHEMBL3611633)	Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction
50006297	2	ChEMBL_1512225 (CHEMBL3611507)	Displacement of [3H]-DPDPE from human delta opioid receptor transfected in HN9.10 cells
50006297	3	ChEMBL_1512229 (CHEMBL3611625)	Agonist activity at rat mu opioid receptor transfected in HN9.10 cells by [35S]GTPgammaS binding assay
50006297	4	ChEMBL_1512233 (CHEMBL3611629)	Displacement of [3H]-substance P from human NK1 receptor transfected in CHO cells
50006297	5	ChEMBL_1512226 (CHEMBL3611508)	Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cells
50006297	6	ChEMBL_1512230 (CHEMBL3611626)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50006297	7	ChEMBL_1512228 (CHEMBL3611510)	Agonist activity at human delta opioid receptor transfected in HN9.10 cells by [35S]GTPgammaS binding assay
50006297	8	ChEMBL_1512234 (CHEMBL3611630)	Displacement of [3H]-substance P from rat NK1 receptor transfected in CHO cells
50006303	1	ChEMBL_1512248 (CHEMBL3611644)	Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-42 level by electrochemiluminescent method
50006303	2	ChEMBL_1512247 (CHEMBL3611643)	Inhibition of gamma-secretase in human SH-SY5Y cells expressing beta-APP C-terminal fragment SPA4CT assessed as decrease of amyloid beta-40 level by electrochemiluminescent method
50006303	3	ChEMBL_1512245 (CHEMBL3611641)	Binding affinity to human ERG expressed in HEK cells by MK-499 radioligand displacement assay
50006303	4	ChEMBL_1512405 (CHEMBL3610038)	Inhibition of SERT (unknown origin)
50006303	5	ChEMBL_1512238 (CHEMBL3611634)	Inhibition of human ERG expressed in HEK cells assessed as reduction in IKr current by patchXpress assay
50006303	6	ChEMBL_1512252 (CHEMBL3611648)	Activation of PXR (unknown origin)
50006304	1	ChEMBL_1512414 (CHEMBL3610047)	Inhibition of human His6-tagged SIRT2 after 12 mins by HPLC analysis in presence of beta-NAD
50006304	2	ChEMBL_1512413 (CHEMBL3610046)	Inhibition of human His6 or GST-tagged SIRT1 after 10 mins by HPLC analysis in presence of beta-NAD
50006304	3	ChEMBL_1512415 (CHEMBL3610048)	Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD
50006304	4	ChEMBL_1512417 (CHEMBL3610050)	Inhibition of human His6-tagged SIRT2 after 12 mins by Dixon plot analysis in presence of beta-NAD
50006304	5	ChEMBL_1512416 (CHEMBL3610049)	Inhibition of human His6 or GST-tagged SIRT1 after 10 mins by Dixon plot analysis in presence of beta-NAD
50006304	6	ChEMBL_1512419 (CHEMBL3610052)	Inhibition of human GST-tagged SIRT5 after 5 mins by HPLC analysis in presence of beta-NAD
50006304	7	ChEMBL_1512418 (CHEMBL3610051)	Inhibition of human His6-tagged SIRT3 after 10 mins by Dixon plot analysis in presence of beta-NAD
50006304	8	ChEMBL_1512420 (CHEMBL3610053)	Inhibition of human GST-tagged SIRT6 after 12 mins by HPLC analysis in presence of beta-NAD
50006305	1	ChEMBL_1512605 (CHEMBL3610652)	Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate addition measured for 4 mins by spectrophotometric analysis
50006306	1	ChEMBL_1514942 (CHEMBL3615808)	Binding affinity to His6-tagged recombinant HIV1 Integrase assessed as inhibition of protein interaction with 3xFLAG-tagged LEDGF/p75 preincubated for 30 mins followed by 3xFLAG-tagged LEDGF/p75 addition measured after 60 mins by AlphaScreen assay
50006307	1	ChEMBL_1515122 (CHEMBL3614269)	Inhibition of recombinant HIV1 protease using FRET substrate peptide by FRET assay
50006308	1	ChEMBL_1518191 (CHEMBL3619838)	Inhibition of recombinant HIV1 Reverse transcriptase p66/p51 using poly (rA)-oligo (dT) as template primer after 40 mins by spectrofluorometric analysis
50006309	1	ChEMBL_1519063 (CHEMBL3624018)	Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay
50006311	1	ChEMBL_1519676 (CHEMBL3626335)	Inhibition of recombinant LSD1/CoREST (unknown origin) assessed as residual activity for 30 mins to 4 hrs by fluorescence based assay relative to control
50006311	2	ChEMBL_1519680 (CHEMBL3626339)	Competitive inhibition of LSD1 (unknown origin) incubated for 30 mins using H3K4me2 substrate by fluorescence based assay
50006311	3	ChEMBL_1519681 (CHEMBL3626340)	Inhibition of MAOB (unknown origin) by luminiscent assay
50006311	4	ChEMBL_1519679 (CHEMBL3626338)	Inhibition of MAOA (unknown origin) by luminiscent assay
50006314	1	ChEMBL_1519858 (CHEMBL3624701)	Inhibition of KDM4C (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate incubated for 15 mins by alpha screen assay
50006314	2	ChEMBL_1519859 (CHEMBL3624702)	Inhibition of KDM4E (unknown origin) by alpha screen assay
50006314	3	ChEMBL_1519861 (CHEMBL3624704)	Inhibition of KDM6B (unknown origin) using H3(21-44)K27Me3-GK-biotin substrate incubated for 5 mins by alpha screen assay
50006314	4	ChEMBL_1519862 (CHEMBL3624705)	Inhibition of KDM4A (unknown origin) using H3(1-21)K9Me3-GGK-biotin substrate by alpha screen assay
50006314	5	ChEMBL_1519866 (CHEMBL3624709)	Inhibition of KDM4C (unknown origin)
50006314	6	ChEMBL_1519869 (CHEMBL3624712)	Inhibition of KDM5A (unknown origin) by alpha screen assay
50006314	7	ChEMBL_1519868 (CHEMBL3624711)	Inhibition of KDM2A (unknown origin)
50006314	8	ChEMBL_1519867 (CHEMBL3624710)	Inhibition of KDM3A (unknown origin)
50006314	9	ChEMBL_1519856 (CHEMBL3624699)	Inhibition of KDM4E (unknown origin)
50006314	10	ChEMBL_1519871 (CHEMBL3624714)	Inhibition of KDM6B (unknown origin)
50006314	11	ChEMBL_1519855 (CHEMBL3624698)	Inhibition of KDM2A (unknown origin) using Biotin-H3(28-48)K36Me2 and H3(28-48)K36Me2 substrates incubated for 30 mins by alpha screen assay
50006314	12	ChEMBL_1519857 (CHEMBL3624700)	Inhibition of KDM3A (unknown origin) using H3(1-21)K9Me2-GGK-biotin substrate incubated for 5 mins by alpha screen assay
50006314	13	ChEMBL_1519860 (CHEMBL3624703)	Inhibition of KDM5C (unknown origin) using H3(1-21)K4Me3-GGK-biotin substrate incubated for 20 mins by alpha screen assay
50006314	14	ChEMBL_1519870 (CHEMBL3624713)	Inhibition of KDM5C (unknown origin)
50006315	1	ChEMBL_1520241 (CHEMBL3626067)	Inhibition of human SETD8 catalytic domain expressed in Escherichia coli assessed as reduction in transfer of tritiated methyl group from [3H]SAM to biotinylated H4 (1 to 24) peptide substrate by scintillation proximity assay
50006316	1	ChEMBL_1522234 (CHEMBL3626463)	Inhibition of HIV1 reverse transcriptase p66/p51 assessed as inhibition of biotin-dUTP incorporation using poly (rA)/oligo(dT)16 as template/primer incubated for 40 mins
50006317	1	ChEMBL_1520446 (CHEMBL3624575)	Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method
50006317	2	ChEMBL_1520445 (CHEMBL3624574)	Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method
50006317	3	ChEMBL_1520450 (CHEMBL3624579)	Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells by FMP assay
50006317	4	ChEMBL_1520451 (CHEMBL3624580)	Agonist activity at rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cells at 1 mM by FMP assay
50006317	5	ChEMBL_1520444 (CHEMBL3624443)	Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs by scintillation counting method
50006317	6	ChEMBL_1520448 (CHEMBL3624577)	Agonist activity at mouse neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293T cells by FMP assay
50006318	1	ChEMBL_1520455 (CHEMBL3624584)	Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1 min followed by addition of ADP by aggregometer
50006318	2	ChEMBL_1520452 (CHEMBL3624581)	Antagonist activity at GP2b/3a receptor (unknown origin) assessed as inhibition of interaction with fibrinogen after 2 hrs by ELISA
50006318	3	ChEMBL_1520457 (CHEMBL3624586)	Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of thrombin-induced platelet aggregation preincubated for 1 min followed by addition of ADP by aggregometer
50006318	4	ChEMBL_1520458 (CHEMBL3624587)	Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of U46619-induced platelet aggregation preincubated for 1 min followed by addition of ADP by aggregometer
50006318	5	ChEMBL_1520459 (CHEMBL3624588)	Antagonist activity at GP2b/3a receptor in New Zealand rabbit platelet-rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 1 min followed by addition of ADP by aggregometer
50006319	1	ChEMBL_1520850 (CHEMBL3626235)	Inhibition of human FTase
50006319	2	ChEMBL_1520852 (CHEMBL3626237)	Inhibition of recombinant human FTase using FPP/dansyl-GCVLS as substrate measured for 15 mins by fluorimetric analysis
50006320	1	ChEMBL_1518712 (CHEMBL3625035)	Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay
50006324	1	ChEMBL_1523253 (CHEMBL3632388)	Inhibition of HIV-1 protease by fluorometric assay
50006326	1	ChEMBL_1522895 (CHEMBL3630768)	Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as substrate by spectrofluorometric analysis
50006327	1	ChEMBL_1525190 (CHEMBL3635311)	Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry
50006327	2	ChEMBL_1525192 (CHEMBL3635313)	Inhibition of Escherichia coli DHFR assessed as NADP formation
50006327	3	ChEMBL_1525194 (CHEMBL3635505)	Competitive inhibition of Escherichia coli DHFR by Lineweaver-Burk plot analysis in presence of H2F
50006327	4	ChEMBL_1525193 (CHEMBL3635314)	Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis
50006327	5	ChEMBL_1525191 (CHEMBL3635312)	Binding affinity to Escherichia coli DHFR at 10 uM using spyro orange reporter dye by differential scanning fluorimetry
50006328	1	ChEMBL_1539559 (CHEMBL3738480)	Transactivation of human PPARgamma in HEK293T cells after 18 hrs by luciferase reporter gene assay
50006328	2	ChEMBL_1539558 (CHEMBL3738479)	Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by Lantha screen assay using fluormone Pan-PPAR green probe
50006329	1	ChEMBL_1539687 (CHEMBL3739069)	Inhibition of Tankyrase in human DLD1 cells assessed as T-cell factor level after 24 hrs by luciferase reporter gene assay
50006329	2	ChEMBL_1539685 (CHEMBL3739067)	Inhibition of TNKS2 (unknown origin) by fluorescence analysis
50006329	3	ChEMBL_1539686 (CHEMBL3739068)	Inhibition of TNKS1 (unknown origin) by fluorescence analysis
50006332	1	ChEMBL_1539709 (CHEMBL3736606)	Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins
50006333	1	ChEMBL_1540162 (CHEMBL3738517)	Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recording ion current for 1 min
50006333	2	ChEMBL_1540160 (CHEMBL3738515)	Inhibition of Staphylococcus aureus ATCC 35556 SecA1 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity incubated for 3 hrs measured by malachite green colorimetric method
50006333	3	ChEMBL_1540161 (CHEMBL3738516)	Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity incubated for 3 hrs measured by malachite green colorimetric method
50006333	4	ChEMBL_1540164 (CHEMBL3738519)	Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposome dependent proOmpA translocation incubated for 1.5 hrs measured by Western blot analysis
50006336	1	ChEMBL_1537692 (CHEMBL3737331)	Agonist activity at human TGR5 Y89A mutant expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase reporter gene assay
50006336	2	ChEMBL_1537693 (CHEMBL3737332)	Agonist activity at wild type human TGR5 expressed in HEK293 cells assessed as rise in intracellular cAMP level incubated for 16 hrs by luciferase reporter gene assay
50006338	1	ChEMBL_1538012 (CHEMBL3738575)	Agonist activity at human PPAR gamma in human HepG2 cells after 20 hrs by luciferase reporter assay
50006338	2	ChEMBL_1538011 (CHEMBL3738574)	Agonist activity at human PPAR alpha in human HepG2 cells after 20 hrs by luciferase reporter assay
50006339	1	ChEMBL_1538038 (CHEMBL3738744)	Displacement of Ac-[125I]-PACAP27 from recombinant human PAC1 expressed in CHO cells after 90 mins by gamma counting analysis
50006339	2	ChEMBL_1538039 (CHEMBL3738745)	Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO cells after 90 mins by gamma counting analysis
50006339	3	ChEMBL_1538040 (CHEMBL3738746)	Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC2 expressed in CHO cells after 90 mins by gamma counting analysis
50006340	1	ChEMBL_1538046 (CHEMBL3738752)	Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after 1 hr by densitometric analysis
50006340	2	ChEMBL_1538045 (CHEMBL3738751)	Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after 1 hr by densitometric analysis
50006341	1	ChEMBL_1538401 (CHEMBL3737948)	Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured after 30 mins by Morrison plot analysis
50006341	2	ChEMBL_1538409 (CHEMBL3737956)	Inhibition of EGFR phosphorylation in human NCI-H1975 cells preincubated for 1 hr followed by stimulation with EGF for 8 mins by electrochemiluminescent immunoassay
50006341	3	ChEMBL_1538415 (CHEMBL3737962)	Inhibition of EGFR T790M/del (746 to 750) deletion mutant phosphorylation in erlotinib-resistant human PC9 cells preincubated for 1 hr followed by stimulation with EGF for 8 mins by electrochemiluminescent immunoassay
50006341	4	ChEMBL_1538410 (CHEMBL3737957)	Inhibition of EGFR phosphorylation in human NCI-H292 cells preincubated for 1 hr followed by stimulation with EGF for 8 mins by electrochemiluminescent immunoassay
50006341	5	ChEMBL_1538380 (CHEMBL3737823)	Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured after 30 mins by Morrison plot analysis
50006341	6	ChEMBL_1538381 (CHEMBL3737824)	Inhibition of human EGFR T790M/del (746 to 750) deletion mutant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured after 30 mins by Morrison plot analysis
50006342	1	ChEMBL_1538955 (CHEMBL3737854)	Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR322 DNA as substrate incubated for 30 mins by fluorescence polarization analysis
50006343	1	ChEMBL_1539074 (CHEMBL3738290)	Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis
50006343	2	ChEMBL_1539073 (CHEMBL3738289)	Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis
50006345	1	ChEMBL_1539082 (CHEMBL3738443)	Binding affinity to mu opioid receptor (unknown origin)
50006345	2	ChEMBL_1539085 (CHEMBL3738446)	Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction
50006345	3	ChEMBL_1539080 (CHEMBL3738441)	Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting
50006345	4	ChEMBL_1539081 (CHEMBL3738442)	Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting
50006345	5	ChEMBL_1539083 (CHEMBL3738444)	Binding affinity to delta opioid receptor (unknown origin)
50006345	6	ChEMBL_1539093 (CHEMBL3738454)	Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bioluminescent assay
50006345	7	ChEMBL_1539094 (CHEMBL3738455)	Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bioluminescent assay
50006345	8	ChEMBL_1539086 (CHEMBL3738447)	Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction
50006347	1	ChEMBL_1539118 (CHEMBL3738626)	Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50006347	2	ChEMBL_1539119 (CHEMBL3738627)	Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50006347	3	ChEMBL_1539116 (CHEMBL3738624)	Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50006347	4	ChEMBL_1539117 (CHEMBL3738625)	Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay
50006347	5	ChEMBL_1539123 (CHEMBL3738631)	Binding affinity to histamine H2 receptor (unknown origin)
50006347	6	ChEMBL_1539124 (CHEMBL3738632)	Binding affinity to SERT (unknown origin)
50006347	7	ChEMBL_1539122 (CHEMBL3738630)	Binding affinity to alpha2C adrenergic receptor (unknown origin)
50006349	1	ChEMBL_1539128 (CHEMBL3738636)	Inhibition of PARP1 in human G7 cells incubated for 60 mins by immunofluorescence assay
50006349	2	ChEMBL_1539127 (CHEMBL3738635)	Inhibition of PARP1 (unknown origin) incubated for 10 mins using biotinylated NAD+ and activated DNA by colorimetric assay
50006349	3	ChEMBL_1539129 (CHEMBL3738637)	Inhibition of PARP1 in human T98G cells incubated for 60 mins by immunofluorescence assay
50006353	1	ChEMBL_1539261 (CHEMBL3739238)	Inhibition of human PDE4D using 3H-cAMP as substrate after 15 mins by liquid scintillation counting analysis
50006354	1	ChEMBL_1539572 (CHEMBL3738493)	Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
50006354	2	ChEMBL_1539573 (CHEMBL3738494)	Inhibition of gatekeeper ALK L1196M mutant (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA
50006356	1	ChEMBL_1539744 (CHEMBL3736772)	Inhibition of human recombinant CDK5/P25 expressed in Escherichia coli using histone H1 substrate after 30 mins by scintillation and luminescence counting method in presence of [gamma-33P]ATP
50006356	2	ChEMBL_1539745 (CHEMBL3736773)	Inhibition of full length human GST-tagged RIPK3 expressed in Spodoptera frugiperda Sf9 cells after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
50006356	3	ChEMBL_1539748 (CHEMBL3736776)	Inhibition of human recombinant haspin kinase domain expressed in Escherichia coli BL21-KRX using histone H3 (1 to 21) peptide substrate after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
50006356	4	ChEMBL_1539747 (CHEMBL3736775)	Inhibition of porcine brain GSK-3 alpha/beta using GS-1 substrate after 30 mins by scintillation and luminescence counting method in the presence of [gamma-33P]ATP
50006357	1	ChEMBL_1537760 (CHEMBL3737517)	Inhibition of GSK3beta (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay
50006357	2	ChEMBL_1540219 (CHEMBL3738880)	Inhibition of PDK1 (unknown origin) incubated for 1 hr by Z'Lyte assay
50006357	3	ChEMBL_1537758 (CHEMBL3737515)	Inhibition of CHK1 (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay
50006357	4	ChEMBL_1537761 (CHEMBL3737518)	Inhibition of PDK1 (unknown origin) in presence of 25 uM ATP incubated for 1 hr by Z'Lyte assay
50006357	5	ChEMBL_1537759 (CHEMBL3737516)	Inhibition of GSK3alpha (unknown origin) in presence of 10 uM ATP incubated for 1 hr by Z'Lyte assay
50006358	1	ChEMBL_1537892 (CHEMBL3738071)	Binding affinity to PDI catalytic domain a (unknown origin) after 1 hrs by intrinsic tryptophan fluorescence assay
50006360	1	ChEMBL_1537913 (CHEMBL3738205)	Inhibition of recombinant N-terminal His6-tagged KAT8 (unknown origin) expressed in Escherichia Coli BL21 DE3 cells assessed as reduction of Co A level using histone H4 substrate after 15 mins by CPM fluorescence assay
50006360	2	ChEMBL_1537914 (CHEMBL3738206)	Inhibition of human recombinant Histone acetyltransferase p300 catalytic domain (1284-1672 residues) using [3H]Acetyl-CoA and histone H3 substrate at 50 uM after 1 hr by liquid scintillation counting
50006361	1	ChEMBL_1538087 (CHEMBL3738948)	Displacement of [125I]-C3a from C3aR in human MDM cells after 60 mins by microbeta scintillation counting analysis
50006361	2	ChEMBL_1538089 (CHEMBL3738950)	Antagonist activity against human C3aR expressed in rat RBL-2H3 cells assessed as inhibition of C3a-induced Ca2+ response
50006361	3	ChEMBL_1538088 (CHEMBL3738949)	Agonist activity at C3aR in human MDM cells assessed as inhibition of C3a-induced Ca2+ response measured for 60 secs by fluorescence assay
50006361	4	ChEMBL_1538095 (CHEMBL3739130)	Agonist activity at C3aR in human MDM cells assessed as Ca2+ response
50006361	5	ChEMBL_1538096 (CHEMBL3739131)	Displacement of [125I]-C3a from human C3aR expressed in rat RBL-2H3 cells
50006362	1	ChEMBL_1538231 (CHEMBL3737170)	Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50006362	2	ChEMBL_1538230 (CHEMBL3737169)	Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50006362	3	ChEMBL_1538232 (CHEMBL3737171)	Inhibition of human CA3 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
50006363	1	ChEMBL_1538238 (CHEMBL3737177)	Agonist activity at human delta opioid receptor over-expressed in CHO cell membrane after 1 hr by [35S]GTPgammaS binding assay
50006364	1	ChEMBL_1538245 (CHEMBL3737184)	Inhibition of TAK1 (unknown origin)
50006364	2	ChEMBL_1538243 (CHEMBL3737182)	Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA
50006364	3	ChEMBL_1538244 (CHEMBL3737183)	Inhibition of IRAK-1 (unknown origin)
50006366	1	ChEMBL_1538265 (CHEMBL3737377)	Displacement of [3H]ifenprodil from Glun2B receptor (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by scintillation counting analysis
50006366	2	ChEMBL_1538268 (CHEMBL3737380)	Displacement of [3H]-(+)-Pentazocine from sigma1 receptor in guniea pig brain cortex membranes by scintillation counting analysis
50006366	3	ChEMBL_1538272 (CHEMBL3737384)	Displacement of [3H]ifenprodil from human NR1a/NR2B receptor expressed in mouse L(tk-) cell membranes by scintillation counting analysis
50006367	1	ChEMBL_1540251 (CHEMBL3738912)	Inhibition of human ERG
50006367	2	ChEMBL_1538273 (CHEMBL3737385)	Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux in presence of EC20 glutamate
50006370	1	ChEMBL_1540262 (CHEMBL3739093)	Inhibition of human activated protein C after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	2	ChEMBL_1540255 (CHEMBL3738916)	Inhibition of human uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate
50006370	3	ChEMBL_1540259 (CHEMBL3739090)	Inhibition of mouse plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	4	ChEMBL_1540261 (CHEMBL3739092)	Inhibition of human KLK1 after 15 mins using Val-Leu-Lys-p-nitroanilide as substrate
50006370	5	ChEMBL_1540266 (CHEMBL3739097)	Inhibition of human tPAn after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	6	ChEMBL_1540264 (CHEMBL3739095)	Inhibition of human thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	7	ChEMBL_1540263 (CHEMBL3739094)	Inhibition of human matriptase after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	8	ChEMBL_1540265 (CHEMBL3739096)	Inhibition of mouse thrombin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	9	ChEMBL_1540277 (CHEMBL3739108)	Binding affinity to human plasma kallikrein by surface plasmon resonance assay
50006370	10	ChEMBL_1540267 (CHEMBL3739098)	Inhibition of mouse tPA after 15 mins using Z-D-Arg-Gly-Arg-p-nitroanilide as substrate
50006370	11	ChEMBL_1540271 (CHEMBL3739102)	Inhibition of human plasma kallikrein catalytic domain E217A mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	12	ChEMBL_1540273 (CHEMBL3739104)	Inhibition of human plasma kallikrein catalytic domain G99Y mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	13	ChEMBL_1540253 (CHEMBL3738914)	Inhibition of human plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	14	ChEMBL_1540256 (CHEMBL3739087)	Inhibition of mouse uPA for 15 mins using pyro-Glu-Gly-Arg-p-nitroanilide as substrate
50006370	15	ChEMBL_1540258 (CHEMBL3739089)	Inhibition of human plasmin after 15 mins using H-D-Ile-Pro-Arg-p-nitroanilide as substrate
50006370	16	ChEMBL_1540270 (CHEMBL3739101)	Inhibition of human wild-type plasma kallikrein catalytic domain after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	17	ChEMBL_1540272 (CHEMBL3739103)	Inhibition of human plasma kallikrein catalytic domain E217R mutant after 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	18	ChEMBL_1540254 (CHEMBL3738915)	Inhibition of mouse plasma kallikrein for 15 mins using H-D-Pro-Phe-Arg-p-nitroanilide as substrate
50006370	19	ChEMBL_1540257 (CHEMBL3739088)	Inhibition of bovine beta-trypsin after 15 mins using Bz-Ile-Glu(g-OR)-Gly-Arg-p-nitroanilide as substrate
50006370	20	ChEMBL_1540260 (CHEMBL3739091)	Inhibition of human coagulation factor 11a after 15 mins
50006371	1	ChEMBL_1540297 (CHEMBL3736643)	Antagonist activity at glucocorticoid receptor in rat primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity
50006371	2	ChEMBL_1540295 (CHEMBL3736641)	Inhibition of human ERG by patch clamp technique
50006371	3	ChEMBL_1540294 (CHEMBL3736640)	Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs
50006371	4	ChEMBL_1540293 (CHEMBL3739124)	Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay
50006371	5	ChEMBL_1540299 (CHEMBL3736645)	Agonist activity at glucocorticoid receptor in rat primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity
50006371	6	ChEMBL_1540296 (CHEMBL3736642)	Antagonist activity at glucocorticoid receptor in human primary hepatocytes assessed as inhibition of glucocorticoid-induced TAT activity
50006371	7	ChEMBL_1537774 (CHEMBL3737653)	Binding affinity to glucocorticoid receptor (unknown origin) by reporter gene assay
50006371	8	ChEMBL_1537770 (CHEMBL3737649)	Antagonist activity at glucocorticoid receptor in rat H4IIEC3 cells assessed as glucocorticoid-induced TAT activity
50006372	1	ChEMBL_1537940 (CHEMBL3738373)	Inhibition of ovine COX-1 preincubated for 2 mins prior to arachidonic acid addition by enzyme immuno assay
50006372	2	ChEMBL_1537941 (CHEMBL3738374)	Inhibition of human recombinant COX-2 preincubated for 2 mins prior to arachidonic acid addition by enzyme immuno assay
50006373	1	ChEMBL_1537949 (CHEMBL3738382)	Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay
50006373	2	ChEMBL_1538134 (CHEMBL3736657)	Inhibition of DAPK1 (unknown origin) by electrophoretic mobility shift assay
50006373	3	ChEMBL_1537946 (CHEMBL3738379)	Inhibition of PIM2 (unknown origin) by electrophoretic mobility shift assay
50006373	4	ChEMBL_1537948 (CHEMBL3738381)	Inhibition of PIM1 (unknown origin) by electrophoretic mobility shift assay
50006373	5	ChEMBL_1538133 (CHEMBL3736656)	Inhibition of GSK3beta (unknown origin) by electrophoretic mobility shift assay
50006374	1	ChEMBL_1538447 (CHEMBL3738099)	Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 2 hrs by cAMP alpha screen assay
50006374	2	ChEMBL_1538449 (CHEMBL3738101)	Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 2 hrs by cAMP alpha screen assay
50006374	3	ChEMBL_1538448 (CHEMBL3738100)	Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 2 hrs by cAMP alpha screen assay
50006374	4	ChEMBL_1538446 (CHEMBL3738098)	Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 2 hrs by cAMP alpha screen assay
50006374	5	ChEMBL_1538445 (CHEMBL3738097)	Partial agonist activity at mouse MC3 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysis
50006374	6	ChEMBL_1538444 (CHEMBL3738096)	Antagonist activity at mouse MC4 receptor expressed in HEK293 cells assessed as NDP-MSH induced response by cAMP alpha screen based schild analysis
50006375	1	ChEMBL_1538841 (CHEMBL3737416)	Inhibition of MGAT2 (unknown origin) by CPM assay
50006375	2	ChEMBL_1538840 (CHEMBL3737415)	Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate
50006375	3	ChEMBL_1538844 (CHEMBL3737419)	Inhibition of DGAT1 (unknown origin) by CPM assay
50006375	4	ChEMBL_1538849 (CHEMBL3737424)	Inhibition of human MGAT2 by CPM assay
50006375	5	ChEMBL_1538851 (CHEMBL3737426)	Inhibition of human DGAT1 by CPM assay
50006375	6	ChEMBL_1538961 (CHEMBL3737860)	Displacement of [35S]-MK-0499 from human ERG
50006375	7	ChEMBL_1538962 (CHEMBL3737861)	Inhibition of voltage-gated calcium channel (unknown origin)
50006375	8	ChEMBL_1538966 (CHEMBL3737865)	Inhibition of CYP3A4 (unknown origin)
50006375	9	ChEMBL_1538852 (CHEMBL3737427)	Inhibition of mouse DGAT1 by CPM assay
50006375	10	ChEMBL_1538964 (CHEMBL3737863)	Inhibition of CYP2D6 (unknown origin)
50006375	11	ChEMBL_1538850 (CHEMBL3737425)	Inhibition of mouse MGAT2 by CPM assay
50006375	12	ChEMBL_1538965 (CHEMBL3737864)	Inhibition of CYP2C9 (unknown origin)
50006375	13	ChEMBL_1538843 (CHEMBL3737418)	Inhibition of GPAT1 (unknown origin) by CPM assay using glycerol-3-phosphate and oleoyl-CoA as substrate
50006376	1	ChEMBL_1538990 (CHEMBL3737993)	Inhibition of Abl T315I mutant (unknown origin) after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate
50006376	2	ChEMBL_1538989 (CHEMBL3737992)	Inhibition of human wild-type Abl after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate
50006376	3	ChEMBL_1538998 (CHEMBL3738001)	Inhibition of wild-type Bcr-Abl autophosphorylation (unknown origin) expressed in mouse BA/F3 cells for 3 hrs by Western blot analysis
50006376	4	ChEMBL_1538999 (CHEMBL3738002)	Inhibition of Bcr-Abl T315I mutant (unknown origin) autophosphorylation expressed in mouse BA/F3 cells for 3 hrs by Western blot analysis
50006377	1	ChEMBL_1539136 (CHEMBL3738644)	Antagonist activity at human wild-type CCKA receptor expressed in CHO-K1 cells assessed as CCK8-induced calcium by FDSS assay
50006377	2	ChEMBL_1539147 (CHEMBL3738655)	Agonist activity at human 5-HT2A receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	3	ChEMBL_1539138 (CHEMBL3738646)	Antagonist activity at human wild-type M1 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay
50006377	4	ChEMBL_1539019 (CHEMBL3738124)	Antagonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as NECA-induced cAMP by HTRF assay
50006377	5	ChEMBL_1539134 (CHEMBL3738642)	Antagonist activity at human wild-type AGTR1 receptor expressed in CHO-K1 cells assessed as angiotensin-2-induced calcium by FDSS assay
50006377	6	ChEMBL_1539152 (CHEMBL3738796)	Agonist activity at human wild-type A2A receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	7	ChEMBL_1539141 (CHEMBL3738649)	Antagonist activity at human wild-type D2 receptor expressed in CHO-K1 cells assessed as dopamine-induced cAMP by HTRF assay
50006377	8	ChEMBL_1539156 (CHEMBL3738800)	Agonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	9	ChEMBL_1539150 (CHEMBL3738794)	Agonist activity at human 5-HT6 receptor expressed in 1321N1 cells assessed as cAMP by HTRF assay
50006377	10	ChEMBL_1539132 (CHEMBL3738640)	Antagonist activity at human wild-type alpha 2A receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay
50006377	11	ChEMBL_1539145 (CHEMBL3738653)	Antagonist activity at human wild-type opioid-mu receptor expressed in CHO-K1 cells assessed as DAMGO-induced cAMP by HTRF assay
50006377	12	ChEMBL_1539154 (CHEMBL3738798)	Agonist activity at human wild-type alpha 1A receptor expressed in CHO cells assessed as calcium level by HTRF assay
50006377	13	ChEMBL_1539143 (CHEMBL3738651)	Antagonist activity at human wild-type opioid-delta 1 receptor expressed in CHO-K1 cells assessed as DPDPE-induced cAMP by HTRF assay
50006377	14	ChEMBL_1539179 (CHEMBL3738823)	Inhibition of human CYP2C9 by LC-MS analysis
50006377	15	ChEMBL_1539002 (CHEMBL3738005)	Antagonist activity at human beta1 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay
50006377	16	ChEMBL_1539137 (CHEMBL3738645)	Antagonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced calcium by FDSS assay
50006377	17	ChEMBL_1539146 (CHEMBL3738654)	Agonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	18	ChEMBL_1539149 (CHEMBL3738793)	Agonist activity at human 5-HT2C receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	19	ChEMBL_1539162 (CHEMBL3738806)	Agonist activity at human wild-type M2 receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	20	ChEMBL_1539166 (CHEMBL3738810)	Agonist activity at human wild-type opioid-delta 1 receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	21	ChEMBL_1539020 (CHEMBL3738125)	Antagonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as IB MECA-induced cAMP by HTRF assay
50006377	22	ChEMBL_1539135 (CHEMBL3738643)	Antagonist activity at human wild-type AVPR1A receptor expressed in CHO-K1 cells assessed as vassopressin-induced calcium by FDSS assay
50006377	23	ChEMBL_1539139 (CHEMBL3738647)	Antagonist activity at human wild-type M2 receptor expressed in CHO-K1 cells assessed as acetylcholine-induced cAMP by HTRF assay
50006377	24	ChEMBL_1539140 (CHEMBL3738648)	Antagonist activity at human wild-type D1 receptor expressed in CHO cells assessed as dopamine-induced cAMP by HTRF assay
50006377	25	ChEMBL_1539142 (CHEMBL3738650)	Antagonist activity at human wild-type ETA receptor expressed in CHO-K1 cells assessed as endothelin-1-induced calcium by HTRF assay
50006377	26	ChEMBL_1539144 (CHEMBL3738652)	Antagonist activity at human wild-type opioid-kappa 1 receptor expressed in CHO-K1 cells assessed as U50488-induced cAMP by HTRF assay
50006377	27	ChEMBL_1539148 (CHEMBL3738656)	Agonist activity at human 5-HT2B receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	28	ChEMBL_1539153 (CHEMBL3738797)	Agonist activity at human wild-type A3 receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	29	ChEMBL_1539155 (CHEMBL3738799)	Agonist activity at human wild-type alpha 2A receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	30	ChEMBL_1539157 (CHEMBL3738801)	Agonist activity at human wild-type AGTR1 receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	31	ChEMBL_1539159 (CHEMBL3738803)	Agonist activity at human wild-type CCKA receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	32	ChEMBL_1539161 (CHEMBL3738805)	Agonist activity at human wild-type M1 receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	33	ChEMBL_1539163 (CHEMBL3738807)	Agonist activity at human wild-type D1 receptor expressed in CHO cells assessed as cAMP level by HTRF assay
50006377	34	ChEMBL_1539165 (CHEMBL3738809)	Agonist activity at human wild-type ETA receptor expressed in CHO-K1 cells assessed as calcium level by HTRF assay
50006377	35	ChEMBL_1539175 (CHEMBL3738819)	Inhibition of human CYP2D6 by LC-MS analysis
50006377	36	ChEMBL_1539012 (CHEMBL3738117)	Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay
50006377	37	ChEMBL_1539013 (CHEMBL3738118)	Antagonist activity at human 5-HT1B receptor expressed in CHO-K1 cells assessed as seretonin-induced cAMP level by HTRF assay
50006377	38	ChEMBL_1539014 (CHEMBL3738119)	Antagonist activity at human 5-HT2A receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay
50006377	39	ChEMBL_1539015 (CHEMBL3738120)	Antagonist activity at human 5-HT2B receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay
50006377	40	ChEMBL_1539016 (CHEMBL3738121)	Antagonist activity at human 5-HT2C receptor expressed in CHO-K1 cells assessed as seretonin-induced calcium level by FDSS assay
50006377	41	ChEMBL_1539017 (CHEMBL3738122)	Antagonist activity at human 5-HT6 receptor expressed in 1321N1 cells assessed as seretonin-induced cAMP by HTRF assay
50006377	42	ChEMBL_1539018 (CHEMBL3738123)	Antagonist activity at human wild-type 5-HT7 receptor expressed in HEK cells assessed as seretonin-induced cAMP by HTRF assay
50006377	43	ChEMBL_1539174 (CHEMBL3738818)	Inhibition of human CYP3A4 by LC-MS analysis
50006377	44	ChEMBL_1539176 (CHEMBL3738820)	Inhibition of human CYP1A2 by LC-MS analysis
50006377	45	ChEMBL_1539177 (CHEMBL3738821)	Inhibition of human CYP2C19 by LC-MS analysis
50006377	46	ChEMBL_1539178 (CHEMBL3738822)	Inhibition of human CYP2C8 by LC-MS analysis
50006377	47	ChEMBL_1539131 (CHEMBL3738639)	Antagonist activity at human wild-type alpha 1A receptor expressed in CHO cells assessed as EP-induced calcium by HTRF assay
50006377	48	ChEMBL_1539133 (CHEMBL3738641)	Antagonist activity at human wild-type alpha 2C receptor expressed in CHO-K1 cells assessed as epinephrine-induced cAMP by HTRF assay
50006377	49	ChEMBL_1539151 (CHEMBL3738795)	Agonist activity at human wild-type 5-HT7 receptor expressed in HEK cells assessed as cAMP by HTRF assay
50006377	50	ChEMBL_1539158 (CHEMBL3738802)	Agonist activity at human wild-type AVPR1A receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	51	ChEMBL_1539160 (CHEMBL3738804)	Agonist activity at human wild-type M3 receptor expressed in CHO-K1 cells assessed as calcium level by FDSS assay
50006377	52	ChEMBL_1539164 (CHEMBL3738808)	Agonist activity at human wild-type D2 receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	53	ChEMBL_1539167 (CHEMBL3738811)	Agonist activity at human wild-type opioid-kappa 1 receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	54	ChEMBL_1539168 (CHEMBL3738812)	Agonist activity at human wild-type opioid-mu receptor expressed in CHO-K1 cells assessed as cAMP level by HTRF assay
50006377	55	ChEMBL_1539001 (CHEMBL3738004)	Antagonist activity at human beta2 receptor expressed in CHO-K1 cells assessed as isoproterenol-induced cAMP level by HTRF assay
50006378	1	ChEMBL_1539473 (CHEMBL3737093)	Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay
50006378	2	ChEMBL_1539474 (CHEMBL3737264)	Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay
50006380	1	ChEMBL_1539491 (CHEMBL3737281)	Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectrometry-based SAMDI assay
50006380	2	ChEMBL_1539492 (CHEMBL3737282)	Inhibition of recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectrometry-based SAMDI assay
50006380	3	ChEMBL_1539490 (CHEMBL3737280)	Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectrometry-based SAMDI assay
50006381	1	ChEMBL_1539619 (CHEMBL3738838)	Inhibition of human AChE at pH 8
50006381	2	ChEMBL_1539618 (CHEMBL3738837)	Irreversible inhibition of AChE (unknown origin)
50006381	3	ChEMBL_1539620 (CHEMBL3738839)	Inhibition of human AChE at pH 6
50006381	4	ChEMBL_1539616 (CHEMBL3738688)	Inhibition of housefly CSMA AChE
50006381	5	ChEMBL_1539617 (CHEMBL3738689)	Inhibition of AChE (unknown origin)
50006382	1	ChEMBL_1539643 (CHEMBL3738862)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide as substrate after 1 hr by lance ultra assay
50006382	2	ChEMBL_1539650 (CHEMBL3738869)	Inhibition of PI3Kbeta (unknown origin) after 1 hr by ADP-Glo Luminescent assay
50006382	3	ChEMBL_1539648 (CHEMBL3738867)	Inhibition of PI3Kalpha (unknown origin) after 1 hr by Kinase-Glo Luminescent assay
50006382	4	ChEMBL_1539654 (CHEMBL3738873)	Inhibition of PI3Kdelta (unknown origin) after 1 hr by ADP-Glo Luminescent assay
50006382	5	ChEMBL_1539652 (CHEMBL3738871)	Inhibition of PI3Kgamma (unknown origin) after 1 hr by ADP-Glo Luminescent assay
50006383	1	ChEMBL_1539806 (CHEMBL3736944)	Inhibition of PI3Kalpha (unknown origin) by adapta universal kinase assay
50006385	1	ChEMBL_1539820 (CHEMBL3736958)	Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay
50006385	2	ChEMBL_1539821 (CHEMBL3736959)	Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate after 30 mins by fluorescence assay
50006385	3	ChEMBL_1539819 (CHEMBL3736957)	Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition of E2-induced transcriptional activity by luciferase reporter gene assay
50006385	4	ChEMBL_1539818 (CHEMBL3736956)	Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing eYFP assessed as reduction of E2-induced estrogenic activity after 2 hrs by BRET assay
50006386	1	ChEMBL_1539824 (CHEMBL3736962)	Competitive binding affinity to Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assay
50006386	2	ChEMBL_1539826 (CHEMBL3737094)	Competitive binding affinity to Bcl-2 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assay
50006386	3	ChEMBL_1539825 (CHEMBL3736963)	Competitive binding affinity to Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assayy
50006387	1	ChEMBL_1541147 (CHEMBL3744756)	Agonist activity at rat 5HT4e receptor expressed in HEK293 cells assessed as cAMP level after 30 mins by HTRF assay
50006387	2	ChEMBL_1540691 (CHEMBL3744958)	Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP level after 4 hrs by luciferase reporter gene assay
50006387	3	ChEMBL_1540696 (CHEMBL3744963)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins by LC-MS/MS analysis in presence of NADPH regeneration system
50006387	4	ChEMBL_1540695 (CHEMBL3744962)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins by LC-MS/MS analysis in presence of NADPH regeneration system
50006387	5	ChEMBL_1541142 (CHEMBL3744751)	Agonist activity at human 5-HT4A receptor assessed as cAMP level after 4 hrs by luciferase reporter gene assay
50006387	6	ChEMBL_1541140 (CHEMBL3744749)	Agonist activity at human 5-HT4D receptor assessed as cAMP level after 4 hrs by luciferase reporter gene assay
50006387	7	ChEMBL_1541145 (CHEMBL3744754)	Agonist activity at 5-HT4 receptor in guinea pig colon
50006387	8	ChEMBL_1541151 (CHEMBL3744760)	Agonist activity at 5-HT4 receptor in Sprague-Dawley rat oesophagus assessed as relaxation of carbachol precontracted oesophagus
50006387	9	ChEMBL_1540951 (CHEMBL3743574)	Agonist activity at 5HT2b receptor in Wistar rat fundus measured for 90 secs
50006387	10	ChEMBL_1540690 (CHEMBL3744957)	Inhibition of human ERG channel expressed in HEK293 cells after 5 mins by patch clamp assay
50006387	11	ChEMBL_1541143 (CHEMBL3744752)	Agonist activity at 5-HT4 receptor in guinea pig ileum assessed as increase in response to electrical stimulation
50006387	12	ChEMBL_1541141 (CHEMBL3744750)	Agonist activity at rat 5-HT4L receptor assessed as cAMP level after 4 hrs by luciferase reporter gene assay
50006387	13	ChEMBL_1541149 (CHEMBL3744758)	Agonist activity at 5-HT4D receptor (unknown origin)
50006387	14	ChEMBL_1540693 (CHEMBL3744960)	Agonist activity at recombinant human 5HT4e receptor expressed in African green monkey COS7 cells assessed as cAMP level after 30 mins by HTRF assay
50006388	1	ChEMBL_1541390 (CHEMBL3743365)	Inhibition of human recombinant EGFR T790M/delE746_A750 double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility shift assay
50006388	2	ChEMBL_1541392 (CHEMBL3743367)	Inhibition of wild type recombinant human EGFR preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility shift assay
50006388	3	ChEMBL_1541389 (CHEMBL3743364)	Inhibition of human recombinant EGFR T790M/L858R double mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility shift assay
50006388	4	ChEMBL_1541391 (CHEMBL3743366)	Inhibition of human recombinant EGFR T790M mutant preincubated for 10 mins followed by FAM-labeled peptide/ATP addition measured after 1 hr by mobility shift assay
50006389	1	ChEMBL_1541411 (CHEMBL3743579)	Antagonist activity at P2X7R in human whole blood assessed as inhibition of LPS-induced IL-1beta production incubated for 30 mins followed by ATP addition for 30 mins by ELISA assay
50006389	2	ChEMBL_1541406 (CHEMBL3743381)	Antagonist activity at human P2X7R expressed in BzATP-stimulated human 1321N1 cells incubated for 20 mins followed by BzATP stimulation measured every 1 sec for 60 secs followed by 3 sec intervals for 4 mins by FLIPR Ca2+ assay in presence of ionomycin
50006389	3	ChEMBL_1541610 (CHEMBL3744764)	Inhibition of P2X3R (unknown origin)
50006389	4	ChEMBL_1541612 (CHEMBL3744766)	Inhibition of P2X2/3R (unknown origin)
50006389	5	ChEMBL_1541616 (CHEMBL3744770)	Inhibition of P2X5R (unknown origin)
50006389	6	ChEMBL_1541412 (CHEMBL3743580)	Antagonist activity at rat P2X7R expressed in BzATP-stimulated HEK293 cells incubated for 20 mins followed by BzATP stimulation measured every 1 sec for 60 secs followed by 3 sec intervals for 4 mins by FLIPR Ca2+ assay in presence of ionomycin
50006389	7	ChEMBL_1541609 (CHEMBL3744763)	Inhibition of human CYP2D6 by fluorescence assay
50006389	8	ChEMBL_1541607 (CHEMBL3744574)	Inhibition of human CYP2C9 by fluorescence assay
50006389	9	ChEMBL_1541611 (CHEMBL3744765)	Inhibition of human CYP3A4 by fluorescence assay
50006389	10	ChEMBL_1541614 (CHEMBL3744768)	Inhibition of P2X4R (unknown origin)
50006389	11	ChEMBL_1541606 (CHEMBL3744573)	Inhibition of P2X1R (unknown origin)
50006389	12	ChEMBL_1541608 (CHEMBL3744575)	Inhibition of P2X2R (unknown origin)
50006390	1	ChEMBL_1541901 (CHEMBL3743168)	Antibacterial activity against low level vancomycin-resistant Enterococcus faecalis ATCC 51299 by plate reader analysis
50006391	1	ChEMBL_1541912 (CHEMBL3743391)	Inhibition of Electrophorus electricus acetylcholinesterase pre-incubated for 20 mins before acetylthiocholine iodide substrate addition by spectrophotometry
50006393	1	ChEMBL_1542056 (CHEMBL3744130)	Inhibition of human BACE1 in HEK293 cells expressing APP assessed as decrease in amyloid beta-40 level after 18 to 20 hrs
50006394	1	ChEMBL_1542072 (CHEMBL3744354)	Inhibition of human recombinant myeloperoxidase by amplex red assay
50006394	2	ChEMBL_1542075 (CHEMBL3744357)	Inhibition of xanthine oxidase (unknown origin) assessed as superoxide generation measured for 20 mins by luminescence analysis using 50 uM xanthine as a substrate
50006395	1	ChEMBL_1542108 (CHEMBL3744582)	Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate reader analysis
50006395	2	ChEMBL_1542107 (CHEMBL3744581)	Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate reader analysis
50006396	1	ChEMBL_1542271 (CHEMBL3745493)	Inhibition of recombinant human COX-2 preincubated for 15 mins by fluorescence analysis
50006396	2	ChEMBL_1542270 (CHEMBL3745492)	Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysis
50006396	3	ChEMBL_1542269 (CHEMBL3745491)	Inhibition of EGFR (unknown origin) using tyrosine 4 as substrate by fluorescence analysis
50006396	4	ChEMBL_1542275 (CHEMBL3745497)	Inhibition of COX-2 in human HCC827 cells assessed as decrease in PGE2 level by western blot analysis
50006397	1	ChEMBL_1542401 (CHEMBL3743438)	Inhibition of STAT6 (unknown origin) expressed in Escherichia coli using FAM-Ala-pTyr-Lys-ProPhe-Gln-Asp-Leu-Ile-NH2 as substrate by fluorescence polarization assay
50006398	1	ChEMBL_1542992 (CHEMBL3743732)	Inhibition of CaMK1 (unknown origin)
50006398	2	ChEMBL_1542579 (CHEMBL3744618)	Displacement of [33P]S1P from S1P5 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
50006398	3	ChEMBL_1542583 (CHEMBL3744622)	Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
50006398	4	ChEMBL_1542581 (CHEMBL3744620)	Displacement of [33P]S1P from S1P3 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
50006398	5	ChEMBL_1542440 (CHEMBL3743674)	Agonist activity at S1P5 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding assay
50006398	6	ChEMBL_1542969 (CHEMBL3743709)	Inhibition of CTAK1 (unknown origin)
50006398	7	ChEMBL_1542814 (CHEMBL3742704)	Inhibition of MK3 (unknown origin)
50006398	8	ChEMBL_1542578 (CHEMBL3744617)	Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
50006398	9	ChEMBL_1542569 (CHEMBL3744419)	Agonist activity at S1P5 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
50006398	10	ChEMBL_1543000 (CHEMBL3743740)	Inhibition of AKT3 (unknown origin)
50006398	11	ChEMBL_1542439 (CHEMBL3743673)	Agonist activity at S1P5 receptor (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by GTPgammaS binding assay
50006398	12	ChEMBL_1543002 (CHEMBL3743742)	Inhibition of AKT1 (unknown origin)
50006398	13	ChEMBL_1542999 (CHEMBL3743739)	Inhibition of ALK (unknown origin)
50006398	14	ChEMBL_1542994 (CHEMBL3743734)	Inhibition of BRSK1 (unknown origin)
50006398	15	ChEMBL_1542990 (CHEMBL3743730)	Inhibition of CaMK2delta (unknown origin)
50006398	16	ChEMBL_1542986 (CHEMBL3743726)	Inhibition of CDC2 (unknown origin)
50006398	17	ChEMBL_1542984 (CHEMBL3743724)	Inhibition of CDC7/DBF4 (unknown origin)
50006398	18	ChEMBL_1542983 (CHEMBL3743723)	Inhibition of CDK2 (unknown origin)
50006398	19	ChEMBL_1542980 (CHEMBL3743720)	Inhibition of CHK2 (unknown origin)
50006398	20	ChEMBL_1542978 (CHEMBL3743718)	Inhibition of CK1delta (unknown origin)
50006398	21	ChEMBL_1542976 (CHEMBL3743716)	Inhibition of CK1gamma3 (unknown origin)
50006398	22	ChEMBL_1542975 (CHEMBL3743715)	Inhibition of CKgamma2 (unknown origin)
50006398	23	ChEMBL_1542970 (CHEMBL3743710)	Inhibition of CSF1R (unknown origin)
50006398	24	ChEMBL_1542966 (CHEMBL3743706)	Inhibition of DYRK1A (unknown origin)
50006398	25	ChEMBL_1542964 (CHEMBL3743704)	Inhibition of EGFR (unknown origin)
50006398	26	ChEMBL_1542961 (CHEMBL3743701)	Inhibition of ERBB2 (unknown origin)
50006398	27	ChEMBL_1542958 (CHEMBL3743698)	Inhibition of FER (unknown origin)
50006398	28	ChEMBL_1542956 (CHEMBL3743696)	Inhibition of FGFR (unknown origin)
50006398	29	ChEMBL_1542954 (CHEMBL3743694)	Inhibition of FLT1 (unknown origin)
50006398	30	ChEMBL_1542952 (CHEMBL3743692)	Inhibition of FLT4 (unknown origin)
50006398	31	ChEMBL_1542950 (CHEMBL3743690)	Inhibition of GSK3alpha (unknown origin)
50006398	32	ChEMBL_1542946 (CHEMBL3743686)	Inhibition of IGF1R (unknown origin)
50006398	33	ChEMBL_1542831 (CHEMBL3742721)	Inhibition of INSR (unknown origin)
50006398	34	ChEMBL_1542829 (CHEMBL3742719)	Inhibition of IRAK4 (unknown origin)
50006398	35	ChEMBL_1542828 (CHEMBL3742718)	Inhibition of ITK (unknown origin)
50006398	36	ChEMBL_1542827 (CHEMBL3742717)	Inhibition of JAK2 (unknown origin)
50006398	37	ChEMBL_1542822 (CHEMBL3742712)	Inhibition of KHS (unknown origin)
50006398	38	ChEMBL_1542819 (CHEMBL3742709)	Inhibition of MAP4K2 (unknown origin)
50006398	39	ChEMBL_1542818 (CHEMBL3742708)	Inhibition of MAP4K4 (unknown origin)
50006398	40	ChEMBL_1542817 (CHEMBL3742707)	Inhibition of MAPK-APK2 (unknown origin)
50006398	41	ChEMBL_1542815 (CHEMBL3742705)	Inhibition of MELK (unknown origin)
50006398	42	ChEMBL_1542813 (CHEMBL3742703)	Inhibition of MNK2 (unknown origin)
50006398	43	ChEMBL_1542811 (CHEMBL3742701)	Inhibition of MST2 (unknown origin)
50006398	44	ChEMBL_1542810 (CHEMBL3742700)	Inhibition of NEK2 (unknown origin)
50006398	45	ChEMBL_1542806 (CHEMBL3742696)	Inhibition of P70S6K (unknown origin)
50006398	46	ChEMBL_1542805 (CHEMBL3742695)	Inhibition of PAK1 (unknown origin)
50006398	47	ChEMBL_1542802 (CHEMBL3742692)	Inhibition of PDK1 (unknown origin)
50006398	48	ChEMBL_1542796 (CHEMBL3742686)	Inhibition of PKCdelta (unknown origin)
50006398	49	ChEMBL_1542793 (CHEMBL3742683)	Inhibition of PKCzeta (unknown origin)
50006398	50	ChEMBL_1542792 (CHEMBL3742682)	Inhibition of PKD2 (unknown origin)
50006398	51	ChEMBL_1542789 (CHEMBL3742679)	Inhibition of PKN2 (unknown origin)
50006398	52	ChEMBL_1542787 (CHEMBL3742677)	Inhibition of PLK3 (unknown origin)
50006398	53	ChEMBL_1542786 (CHEMBL3742676)	Inhibition of PLK4 (unknown origin)
50006398	54	ChEMBL_1542783 (CHEMBL3742673)	Inhibition of PRKX (unknown origin)
50006398	55	ChEMBL_1543003 (CHEMBL3743743)	Inhibition of PTK5 (unknown origin)
50006398	56	ChEMBL_1543007 (CHEMBL3743747)	Inhibition of ROS (unknown origin)
50006398	57	ChEMBL_1543009 (CHEMBL3743749)	Inhibition of SGK (unknown origin)
50006398	58	ChEMBL_1543010 (CHEMBL3743750)	Inhibition of SLK (unknown origin)
50006398	59	ChEMBL_1543013 (CHEMBL3743936)	Inhibition of SRPK1(unknown origin)
50006398	60	ChEMBL_1543016 (CHEMBL3743939)	Inhibition of TRKA (unknown origin)
50006398	61	ChEMBL_1543021 (CHEMBL3743944)	Inhibition of TYK2 (unknown origin)
50006398	62	ChEMBL_1543022 (CHEMBL3743945)	Inhibition of ZAK (unknown origin)
50006398	63	ChEMBL_1543006 (CHEMBL3743746)	Inhibition of ROCK2 (unknown origin)
50006398	64	ChEMBL_1543004 (CHEMBL3743744)	Inhibition of RET (unknown origin)
50006398	65	ChEMBL_1543015 (CHEMBL3743938)	Inhibition of TAOK2 (unknown origin)
50006398	66	ChEMBL_1542988 (CHEMBL3743728)	Inhibition of CaMK4 (unknown origin)
50006398	67	ChEMBL_1542979 (CHEMBL3743719)	Inhibition of Ck1alpha1 (unknown origin)
50006398	68	ChEMBL_1542948 (CHEMBL3743688)	Inhibition of HIPK2 (unknown origin)
50006398	69	ChEMBL_1542823 (CHEMBL3742713)	Inhibition of KDR (unknown origin)
50006398	70	ChEMBL_1542804 (CHEMBL3742694)	Inhibition of PAK4 kinase domain (unknown origin)
50006398	71	ChEMBL_1542794 (CHEMBL3742684)	Inhibition of PKCiota (unknown origin)
50006398	72	ChEMBL_1542962 (CHEMBL3743702)	Inhibition of EPHA2 (unknown origin)
50006398	73	ChEMBL_1542824 (CHEMBL3742714)	Inhibition of JNK2A2 (unknown origin)
50006398	74	ChEMBL_1542800 (CHEMBL3742690)	Inhibition of PIM1 (unknown origin)
50006398	75	ChEMBL_1542974 (CHEMBL3743714)	Inhibition of cKIT (unknown origin)
50006398	76	ChEMBL_1542808 (CHEMBL3742698)	Inhibition of p38delta (unknown origin)
50006398	77	ChEMBL_1542989 (CHEMBL3743729)	Inhibition of CaMK2gamma (unknown origin)
50006398	78	ChEMBL_1542591 (CHEMBL3744630)	Displacement of doferilide from human ERG
50006398	79	ChEMBL_1542997 (CHEMBL3743737)	Inhibition of Aurora1 (unknown origin)
50006398	80	ChEMBL_1542825 (CHEMBL3742715)	Inhibition of JNK1A1 (unknown origin)
50006398	81	ChEMBL_1543005 (CHEMBL3743745)	Inhibition of ROCK1 (unknown origin)
50006398	82	ChEMBL_1542995 (CHEMBL3743735)	Inhibition of BLK (unknown origin)
50006398	83	ChEMBL_1542971 (CHEMBL3743711)	Inhibition of cMET (unknown origin)
50006398	84	ChEMBL_1542798 (CHEMBL3742688)	Inhibition of PIM3 (unknown origin)
50006398	85	ChEMBL_1543014 (CHEMBL3743937)	Inhibition of SYK (unknown origin)
50006398	86	ChEMBL_1542985 (CHEMBL3743725)	Inhibition of CDC42BPA (unknown origin)
50006398	87	ChEMBL_1542981 (CHEMBL3743721)	Inhibition of CHK1 (unknown origin)
50006398	88	ChEMBL_1542972 (CHEMBL3743712)	Inhibition of CLK4 (unknown origin)
50006398	89	ChEMBL_1542968 (CHEMBL3743708)	Inhibition of DCAMKL2 (unknown origin)
50006398	90	ChEMBL_1542965 (CHEMBL3743705)	Inhibition of DYRK4 (unknown origin)
50006398	91	ChEMBL_1542960 (CHEMBL3743700)	Inhibition of ERBB4 (unknown origin)
50006398	92	ChEMBL_1542955 (CHEMBL3743695)	Inhibition of FGFR3 (unknown origin)
50006398	93	ChEMBL_1542951 (CHEMBL3743691)	Inhibition of FYN (unknown origin)
50006398	94	ChEMBL_1542947 (CHEMBL3743687)	Inhibition of HIPK4 (unknown origin)
50006398	95	ChEMBL_1542830 (CHEMBL3742720)	Inhibition of IRAK1 (unknown origin)
50006398	96	ChEMBL_1542820 (CHEMBL3742710)	Inhibition of LYN (unknown origin)
50006398	97	ChEMBL_1542816 (CHEMBL3742706)	Inhibition of MATK (unknown origin)
50006398	98	ChEMBL_1542812 (CHEMBL3742702)	Inhibition of MSK1 (unknown origin)
50006398	99	ChEMBL_1542807 (CHEMBL3742697)	Inhibition of p38gamma (unknown origin)
50006398	100	ChEMBL_1542803 (CHEMBL3742693)	Inhibition of PBK (unknown origin)
50006398	101	ChEMBL_1542799 (CHEMBL3742689)	Inhibition of PIM2 (unknown origin)
50006398	102	ChEMBL_1542795 (CHEMBL3742685)	Inhibition of PKCgamma (unknown origin)
50006398	103	ChEMBL_1543001 (CHEMBL3743741)	Inhibition of AKT2 (unknown origin)
50006398	104	ChEMBL_1542996 (CHEMBL3743736)	Inhibition of Aurora2 (unknown origin)
50006398	105	ChEMBL_1542991 (CHEMBL3743731)	Inhibition of CaMK2beta (unknown origin)
50006398	106	ChEMBL_1542973 (CHEMBL3743713)	Inhibition of CLK2 (unknown origin)
50006398	107	ChEMBL_1542993 (CHEMBL3743733)	Inhibition of BTK (unknown origin)
50006398	108	ChEMBL_1542801 (CHEMBL3742691)	Inhibition of PHKG2 (unknown origin)
50006398	109	ChEMBL_1542949 (CHEMBL3743689)	Inhibition of GSK3beta (unknown origin)
50006398	110	ChEMBL_1542957 (CHEMBL3743697)	Inhibition of FES (unknown origin)
50006398	111	ChEMBL_1542982 (CHEMBL3743722)	Inhibition of CDK5/p25 (unknown origin)
50006398	112	ChEMBL_1543019 (CHEMBL3743942)	Inhibition of TSSK1 (unknown origin)
50006398	113	ChEMBL_1542788 (CHEMBL3742678)	Inhibition of PLK1 (unknown origin)
50006398	114	ChEMBL_1542785 (CHEMBL3742675)	Inhibition of PRAK (unknown origin)
50006398	115	ChEMBL_1542782 (CHEMBL3742672)	Inhibition of PRSK2 (unknown origin)
50006398	116	ChEMBL_1543008 (CHEMBL3743748)	Inhibition of RSE (unknown origin)
50006398	117	ChEMBL_1543012 (CHEMBL3743935)	Inhibition of SRMS (unknown origin)
50006398	118	ChEMBL_1543017 (CHEMBL3743940)	Inhibition of TRKB (unknown origin)
50006398	119	ChEMBL_1543020 (CHEMBL3743943)	Inhibition of TSSK2 (unknown origin)
50006398	120	ChEMBL_1543023 (CHEMBL3743946)	Inhibition of ZIPK (unknown origin)
50006398	121	ChEMBL_1542977 (CHEMBL3743717)	Inhibition of CK1gamma1 (unknown origin)
50006398	122	ChEMBL_1542826 (CHEMBL3742716)	Inhibition of JAK3 (unknown origin)
50006398	123	ChEMBL_1543011 (CHEMBL3743751)	Inhibition of SRC (unknown origin)
50006398	124	ChEMBL_1542959 (CHEMBL3743699)	Inhibition of ERK2 (unknown origin)
50006398	125	ChEMBL_1542784 (CHEMBL3742674)	Inhibition of PRKCN (unknown origin)
50006398	126	ChEMBL_1543018 (CHEMBL3743941)	Inhibition of TRKC (unknown origin)
50006398	127	ChEMBL_1542967 (CHEMBL3743707)	Inhibition of DRAK1 (unknown origin)
50006398	128	ChEMBL_1542953 (CHEMBL3743693)	Inhibition of FLT3 (unknown origin)
50006398	129	ChEMBL_1542821 (CHEMBL3742711)	Inhibition of LCK (unknown origin)
50006398	130	ChEMBL_1542809 (CHEMBL3742699)	Inhibition of NEK4 (unknown origin)
50006399	1	ChEMBL_1543178 (CHEMBL3744902)	Displacement of [3H]-ZM24135 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by scintillation counting
50006400	1	ChEMBL_1543186 (CHEMBL3744910)	Inhibition of porcine aminopeptidase-N using Leu-pNA as substrate after 30 mins
50006400	2	ChEMBL_1543183 (CHEMBL3744907)	Inhibition of recombinant human puromycin sensitive aminopeptidase using Leu-pNA as substrate after 30 mins
50006401	1	ChEMBL_1543202 (CHEMBL3745109)	Inhibition of amyloid beta (25 to 35 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells preincubated for 1 hr followed by amyloid beta challenge measured after 24 hrs by MTT assay
50006401	2	ChEMBL_1543309 (CHEMBL3742730)	Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T assay
50006401	3	ChEMBL_1543308 (CHEMBL3742729)	Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregate-induced toxicity in rat PC12 cells assessed as cell viability at 4 to 100 ug/ml pre-incubated for 24 hrs with Abeta ( 1 to 42) followed by compound-Abeta (1 to 42) mixture addition to cells and measured after 24 hrs by MTT assay
50006404	1	ChEMBL_1543360 (CHEMBL3743004)	Binding affinity to Kv11.1 channel (unknown origin)
50006404	2	ChEMBL_1540367 (CHEMBL3742791)	Induction of dissociation of [3H]-dofetilide from Kv11.1 channel (unknown origin) assessed as dissociation rate expressed in HEK293 cells after 1 hr
50006406	1	ChEMBL_1540559 (CHEMBL3744013)	Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis
50006406	2	ChEMBL_1540568 (CHEMBL3744220)	Inhibition of recombinant cathepsin S (unknown origin) using ZVVR-AMC fluorogenic substrate
50006406	3	ChEMBL_1540569 (CHEMBL3744221)	Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC fluorogenic substrate
50006406	4	ChEMBL_1540570 (CHEMBL3744222)	Inhibition of recombinant caspase 3 (unknown origin) using DEVD-AFC fluorogenic substrate
50006406	5	ChEMBL_1540567 (CHEMBL3744219)	Inhibition of recombinant caspase 8 (unknown origin) using IETD-AFC fluorogenic substrate
50006406	6	ChEMBL_1540571 (CHEMBL3744223)	Inhibition of USP17 in human HEK293T cells using fluorogenic substrate ub-rhodamine110 preincubated for 30 mins followed by substrate addition measured every 4 mins for 1 hr by microplate reader analysis
50006407	1	ChEMBL_1540748 (CHEMBL3745362)	Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using daunorubicin as substrate incubated for 20 mins by UHPLC method
50006407	2	ChEMBL_1540746 (CHEMBL3745360)	Non-competitive inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by Lineweaver-Burk plot analysis
50006407	3	ChEMBL_1540745 (CHEMBL3745359)	Inhibition of recombinant N-terminal His6-tagged AKR1B1 (unknown origin) expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method
50006407	4	ChEMBL_1540742 (CHEMBL3745356)	Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method
50006407	5	ChEMBL_1540743 (CHEMBL3745357)	Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells by pyridine-3-aldehyde reductase activity assay
50006408	1	ChEMBL_1540764 (CHEMBL3745378)	Inhibition of human recombinant MAO-B using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis
50006408	2	ChEMBL_1540763 (CHEMBL3745377)	Inhibition of human recombinant MAO-A using p-tyramine as substrate after 15 mins by UV/Vis spectrophotometer analysis
50006408	3	ChEMBL_1540752 (CHEMBL3745366)	Reversible inhibition of human MAO-A
50006408	4	ChEMBL_1540753 (CHEMBL3745367)	Reversible inhibition of human MAO-B
50006409	1	ChEMBL_1540775 (CHEMBL3742526)	Inhibition of Aspergillus oryzae beta-galactosidase using oNP-beta-Gal as substrate assessed as release of o-nitrophenol incubated for 30 mins by spectrophotometric analysis
50006410	1	ChEMBL_1541188 (CHEMBL3745190)	Inhibition of human microsomal CYP2A6
50006411	1	ChEMBL_1541190 (CHEMBL3745192)	Displacement of UDP-[3H]glucose from beta-1,3-glucan synthase in Candida albicans MY1055 microsomal membranes incubated for 2 hrs
50006412	1	ChEMBL_1541427 (CHEMBL3743595)	Inhibition of CYP2C9 (unknown origin)
50006412	2	ChEMBL_1541425 (CHEMBL3743593)	Inhibition of CYP3A4 (unknown origin)
50006412	3	ChEMBL_1541426 (CHEMBL3743594)	Inhibition of CYP2D6 (unknown origin)
50006413	1	ChEMBL_1541431 (CHEMBL3743599)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate
50006413	2	ChEMBL_1541432 (CHEMBL3743600)	Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis
50006413	3	ChEMBL_1541433 (CHEMBL3743601)	Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis
50006414	1	ChEMBL_1541441 (CHEMBL3743609)	Inhibition of recombinant Teladorsagia circumcincta DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3 hrs followed by substrate addition measured after 3 hrs by microplate reader assay
50006414	2	ChEMBL_1541440 (CHEMBL3743608)	Inhibition of recombinant Brugia malayi DPY-31 astacin domain expressed in Escherichia coli using Suc-Ala-Ala-Ala-pNA as substrate preincubated for 3 hrs followed by substrate addition measured after 3 hrs by microplate reader assay
50006418	1	ChEMBL_1541477 (CHEMBL3743848)	Inhibition of TNSK1/2-activated Wnt pathway in human DLD-1 TOPFlash/EF1a Renilla reporter cells after 24 hrs by Steady-Glo Luciferase assay
50006418	2	ChEMBL_1541454 (CHEMBL3743825)	Inhibition of full length human PARP1 expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	3	ChEMBL_1541445 (CHEMBL3743816)	Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006418	4	ChEMBL_1541482 (CHEMBL3743853)	Inhibition of full length human PARP6 expressed in a Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	5	ChEMBL_1541456 (CHEMBL3743827)	Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	6	ChEMBL_1541457 (CHEMBL3743828)	Inhibition of human TNKS1 (1001 to 1327 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	7	ChEMBL_1541684 (CHEMBL3745013)	Inhibition of PARP in human MDA-MB-157 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006418	8	ChEMBL_1541455 (CHEMBL3743826)	Inhibition of human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	9	ChEMBL_1541487 (CHEMBL3743858)	Inhibition of PARP in multi-drug resistant human MCF7 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006418	10	ChEMBL_1541682 (CHEMBL3745011)	Inhibition of PARP in human MDA-MB-468 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006418	11	ChEMBL_1541458 (CHEMBL3743829)	Inhibition of human TNKS2 (667 to 1166 residues) expressed in Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay
50006418	12	ChEMBL_1541683 (CHEMBL3745012)	Inhibition of PARP in human HCC1806 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006418	13	ChEMBL_1541486 (CHEMBL3743857)	Inhibition of PARP in human MCF7 cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis
50006419	1	ChEMBL_1541697 (CHEMBL3745026)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced ethidium ion uptake after 2 hrs
50006419	2	ChEMBL_1541699 (CHEMBL3745028)	Antagonist activity at P2X7 receptor expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta production after 4 hrs by ELISA
50006419	3	ChEMBL_1541704 (CHEMBL3745212)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50006419	4	ChEMBL_1541711 (CHEMBL3745219)	Antagonist activity at P2X7 receptor in human lymphocytes assessed as inhibition of ATP-induced ethidium ion uptake preincubated for 5 mins followed by ATP addition and incubated further 2 mins prior to ethidium addition measured up to 5 mins by flow cytometric analysis
50006422	1	ChEMBL_1541731 (CHEMBL3745239)	Displacement of [3H]Spiroperidol from cloned rat dopamine D2L receptor expressed in HEK293 cells by liquid scintillation counting analysis
50006422	2	ChEMBL_1541735 (CHEMBL3745243)	Agonist activity at human D2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50006422	3	ChEMBL_1541730 (CHEMBL3745238)	Agonist activity at human D3 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50006422	4	ChEMBL_1541738 (CHEMBL3745246)	Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 300 nM by [35S]GTPgammaS binding assay (Rvb = 225 +/- 45 nM)
50006422	5	ChEMBL_1541741 (CHEMBL3745249)	Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 1 uM by [35S]GTPgammaS binding assay (Rvb = 225 +/- 45 nM)
50006422	6	ChEMBL_1541732 (CHEMBL3745240)	Displacement of [3H]Spiroperidol from cloned rat dopamine D3 receptor expressed in HEK293 cells by liquid scintillation counting analysis
50006422	7	ChEMBL_1541737 (CHEMBL3745245)	Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 50 nM by [35S]GTPgammaS binding assay (Rvb = 225 +/- 45 nM)
50006422	8	ChEMBL_1541740 (CHEMBL3745248)	Antagonist activity against human D2 receptor expressed in CHO cells assessed as dopamine EC50 at 200 nM by [35S]GTPgammaS binding assay (Rvb = 225 +/- 45 nM)
50006424	1	ChEMBL_1541949 (CHEMBL3743621)	Inhibition of CDK4 (unknown origin)
50006425	1	ChEMBL_1542475 (CHEMBL3743922)	Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl]dodecanamide substrate preincubated for 10 mins
50006427	1	ChEMBL_1542880 (CHEMBL3743215)	Inhibition of CypA (unknown origin) assessed as peptidyl-prolyl cis-trans isomerase activity using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate by spectrophotometry
50006431	1	ChEMBL_1543048 (CHEMBL3743971)	Inhibition of purified human factor 10a using Suc-Ile-Glu(gammaPip)-GlyArg-pNa-HCl as substrate measured for 5 mins by spectrophotometric assay
50006431	2	ChEMBL_1543046 (CHEMBL3743969)	Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay
50006431	3	ChEMBL_1543050 (CHEMBL3743973)	Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay
50006431	4	ChEMBL_1543047 (CHEMBL3743970)	Inhibition of recombinant human tPA using H-D-Ile-Pro-L-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay
50006431	5	ChEMBL_1543069 (CHEMBL3744191)	Inhibition of purified human factor 7a using MeSO2-Cha-Abu-Arg-pNA as substrate measured for 5 mins by spectrophotometric assay
50006431	6	ChEMBL_1543045 (CHEMBL3743968)	Inhibition of human uPA using pyro-Glu-Gly-Arg-pNA as substrate assessed as para-nitroaniline release from substrate measured for 5 mins by spectrophotometric assay
50006431	7	ChEMBL_1543049 (CHEMBL3743972)	Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay
50006431	8	ChEMBL_1543059 (CHEMBL3744181)	Inhibition of uPA (unknown origin)
50006431	9	ChEMBL_1543060 (CHEMBL3744182)	Inhibition of human uPA using S-2444 as substrate
50006431	10	ChEMBL_1543061 (CHEMBL3744183)	Inhibition of human uPA
50006434	1	ChEMBL_1543079 (CHEMBL3744201)	Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis
50006435	1	ChEMBL_1540426 (CHEMBL3743280)	Inhibition of 11beta-HSD1 in human liver microsomes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 30 mins by scintillation proximity assay
50006438	1	ChEMBL_1540617 (CHEMBL3744478)	Antagonist activity at mGlu5 receptor (unknown origin) expressed in HEK cells assessed as inhibition of glutamate-induced calcium flux by fluorescence based assay
50006440	1	ChEMBL_1540643 (CHEMBL3744704)	Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis
50006441	1	ChEMBL_1541019 (CHEMBL3744250)	Antagonist activity at human EP4 receptor
50006441	2	ChEMBL_1541020 (CHEMBL3744251)	Antagonist activity at human EP4 receptor in HEK293 cells assessed as inhibition of PGE2-induced cAMP accumulation
50006441	3	ChEMBL_1541034 (CHEMBL3744265)	Antagonist activity at human EP3 receptor
50006441	4	ChEMBL_1541021 (CHEMBL3744252)	Antagonist activity at EP4 receptor in human whole blood assessed as reversal of inhibition of PGE2 mediated LPS-induced TNF alpha production pretreated for 30 mins using 3,3',5,5' tetramethylbiphenyl-4,4'-diamine substrate measured after 20 to 24 hrs by immunoassay
50006441	5	ChEMBL_1541032 (CHEMBL3744263)	Antagonist activity at human EP1 receptor
50006441	6	ChEMBL_1541033 (CHEMBL3744264)	Antagonist activity at human EP2 receptor
50006441	7	ChEMBL_1541039 (CHEMBL3744270)	Inhibition of CYP2C9 (unknown origin)
50006441	8	ChEMBL_1541041 (CHEMBL3744272)	Inhibition of CYP3A4 (unknown origin)
50006441	9	ChEMBL_1541035 (CHEMBL3744266)	Inhibition of CYP1A2 (unknown origin)
50006441	10	ChEMBL_1541038 (CHEMBL3744269)	Inhibition of CYP2C8 (unknown origin)
50006441	11	ChEMBL_1541040 (CHEMBL3744271)	Inhibition of CYP2D6 (unknown origin)
50006441	12	ChEMBL_1541036 (CHEMBL3744267)	Inhibition of CYP2B6 (unknown origin)
50006441	13	ChEMBL_1541037 (CHEMBL3744268)	Inhibition of CYP2C19 (unknown origin)
50006445	1	ChEMBL_1541050 (CHEMBL3744281)	Inhibition of HDAC1 (unknown origin) by fluorimetric assay
50006445	2	ChEMBL_1541051 (CHEMBL3744282)	Inhibition of HDAC2 (unknown origin) by fluorimetric assay
50006445	3	ChEMBL_1541052 (CHEMBL3744283)	Inhibition of HDAC3 (unknown origin) by fluorimetric assay
50006445	4	ChEMBL_1541053 (CHEMBL3744284)	Inhibition of HDAC6 (unknown origin) by fluorimetric assay
50006445	5	ChEMBL_1541058 (CHEMBL3744289)	Inhibition of HDAC6 in human HeLa cells assessed as inhibition of tubulin deacetylation incubated for overnight by cELISA
50006447	1	ChEMBL_1541062 (CHEMBL3744293)	Inhibition of 17beta-HSD1 in human placental cytosolic fraction using E1/NADH as substrate/cofactor after 10 mins by HPLC analysis
50006447	2	ChEMBL_1541061 (CHEMBL3744292)	Inhibition of 17beta-HSD2 in human placental microsomal fraction using E2/NAD+ as substrate/cofactor after 20 mins by HPLC analysis
50006450	1	ChEMBL_1541258 (CHEMBL3742564)	Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis
50006450	2	ChEMBL_1541257 (CHEMBL3742563)	Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter
50006451	1	ChEMBL_1541284 (CHEMBL3742590)	Non-competitive inhibition of porcine pancreatic alpha-amylase by Lineweaver-Burk plot analysis
50006451	2	ChEMBL_1541282 (CHEMBL3742588)	Inhibition of Bacillus subtilis alpha-amylase
50006451	3	ChEMBL_1541281 (CHEMBL3742587)	Inhibition of porcine pancreatic alpha-amylase assessed as starch digestion up to 120 mins by turbidity assay
50006455	1	ChEMBL_1541291 (CHEMBL3742831)	Inhibition of human recombinant CYP2D6 by fluorescence assay
50006455	2	ChEMBL_1541288 (CHEMBL3742594)	Inhibition of human recombinant CYP1A2 by fluorescence assay
50006455	3	ChEMBL_1541293 (CHEMBL3742833)	Inhibition of human recombinant CYP3A4 by fluorescence assay
50006455	4	ChEMBL_1541292 (CHEMBL3742832)	Inhibition of human recombinant CYP2C19 by fluorescence assay
50006455	5	ChEMBL_1541287 (CHEMBL3742593)	Inhibition of human recombinant CYP2C9 by fluorescence assay
50006456	1	ChEMBL_1541512 (CHEMBL3744075)	Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay
50006456	2	ChEMBL_1541510 (CHEMBL3744073)	Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay
50006456	3	ChEMBL_1541511 (CHEMBL3744074)	Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay
50006461	1	ChEMBL_1541517 (CHEMBL3744080)	Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase E119V mutant
50006461	2	ChEMBL_1541516 (CHEMBL3744079)	Inhibition of oseltamivir-resistant Influenza A virus H3N2 neuraminidase
50006461	3	ChEMBL_1541518 (CHEMBL3744081)	Inhibition of Influenza A virus H1N1 wild type neuraminidase
50006461	4	ChEMBL_1541519 (CHEMBL3744082)	Inhibition of Influenza A virus H1N1 neuraminidase H275Y mutant
50006462	1	ChEMBL_1541744 (CHEMBL3745426)	Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay
50006462	2	ChEMBL_1541746 (CHEMBL3745428)	Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration assay
50006462	3	ChEMBL_1541743 (CHEMBL3745425)	Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration assay
50006462	4	ChEMBL_1541742 (CHEMBL3745424)	Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration assay
50006462	5	ChEMBL_1541745 (CHEMBL3745427)	Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay
50006463	1	ChEMBL_1541747 (CHEMBL3745429)	Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 30 mins
50006464	1	ChEMBL_1541756 (CHEMBL3745438)	Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method
50006464	2	ChEMBL_1541757 (CHEMBL3745439)	Inhibition of human carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method
50006464	3	ChEMBL_1541758 (CHEMBL3745440)	Inhibition of human carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method
50006464	4	ChEMBL_1541759 (CHEMBL3745441)	Inhibition of human carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method
50006464	5	ChEMBL_1541755 (CHEMBL3745437)	Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method
50006466	1	ChEMBL_1541762 (CHEMBL3745444)	Inhibition of thrombin (unknown origin)
50006466	2	ChEMBL_1541763 (CHEMBL3745445)	Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay
50006468	1	ChEMBL_1541778 (CHEMBL3745460)	Inhibition of wild-type EGFR tyrosine kinase (unknown origin) assessed as ATP level by luminescence analysis
50006468	2	ChEMBL_1541780 (CHEMBL3745462)	Inhibition of VEGFR-2 (unknown origin) assessed as ATP level by luminescence analysis
50006468	3	ChEMBL_1541779 (CHEMBL3745461)	Inhibition of EGFR tyrosine kinase L858R mutant (unknown origin) assessed as ATP level by luminescence analysis
50006469	1	ChEMBL_1541784 (CHEMBL3742598)	Inhibition of human Rce1-mediated CaaX protease activity using ABZ-KSKTKC(farnesyl)QIIM and ABZ-KSKTKC(farnesyl)VIQI as substrate assessed as residual activity measured every 30 to 60 seconds for 60 mins
50006470	1	ChEMBL_1541795 (CHEMBL3742609)	Displacement of [3H]-sulpiride from human dopamine D3 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting
50006470	2	ChEMBL_1541796 (CHEMBL3742610)	Displacement of [3H]-sulpiride from human dopamine D2 receptor expressed in HEK293 cells after 150 mins by liquid scintillation counting
50006471	1	ChEMBL_1546516 (CHEMBL3749019)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane by radioligand binding assay
50006471	2	ChEMBL_1546514 (CHEMBL3749017)	Displacement of [3H]2-[p(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamido-adenosine from human adenosine A2A receptor stably expressed in HEK293 cell membrane by radioligand binding assay
50006471	3	ChEMBL_1546517 (CHEMBL3749020)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse adenosine A3 receptor stably expressed in CHO cell membrane by radioligand binding assay
50006471	4	ChEMBL_1546512 (CHEMBL3749015)	Displacement of [3H]N6-R-phenylisopropyladenosine from human adenosine A1 receptor stably expressed in CHO cell membrane by radioligand binding assay
50006471	5	ChEMBL_1546521 (CHEMBL3749024)	Displacement of [3H]tiotidine from H2 histamine receptor (unknown origin) expressed in cells incubated for 1.5 hrs by scintillation counting method
50006472	1	ChEMBL_1546958 (CHEMBL3748061)	Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli BL21 by Lineweaver-Burk double-reciprocal plot analysis
50006472	2	ChEMBL_1546963 (CHEMBL3748066)	Inhibition of IDO (unknown origin)
50006472	3	ChEMBL_1546965 (CHEMBL3748068)	Inhibition of human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by spectrophotometric analysis
50006472	4	ChEMBL_1546961 (CHEMBL3748064)	Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using L-tryptophan as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by plate reader analysis
50006472	5	ChEMBL_1546957 (CHEMBL3748060)	Competitive inhibition of 6His-tagged human recombinant IDO expressed in Escherichia coli BL21DE3pLys
50006472	6	ChEMBL_1546974 (CHEMBL3748077)	Inhibition of IFN-gamma-stimulated IDO1 activity in human HeLa cells using L-tryptophan as substrate after 48 hrs by microplate reader analysis
50006472	7	ChEMBL_1546973 (CHEMBL3748076)	Inhibition of human IDO1 in HEK293 cells after 20 hrs by plate reader assay
50006472	8	ChEMBL_1546971 (CHEMBL3748074)	Inhibition of N-terminal 6His-tagged human recombinant IDO1 expressed in Escherichia coli BL21 using tryptophan as substrate after 90 mins by fluorescence assay
50006472	9	ChEMBL_1546970 (CHEMBL3748073)	Inhibition of human recombinant IDO1 expressed in yeast IS20-2B using tryptophan as substrate by methylene blue/ascorbate assay
50006472	10	ChEMBL_1546968 (CHEMBL3748071)	Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using D-tryptophan as substrate by methylene blue/ascorbate assay
50006472	11	ChEMBL_1546967 (CHEMBL3748070)	Inhibition of IFN-gamma-stimulated IDO1 activity in human HeLa cells using L-tryptophan as substrate after 48 hrs by spectrophotometric analysis
50006472	12	ChEMBL_1546964 (CHEMBL3748067)	Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using L-tryptophan as substrate by methylene blue/ascorbate assay
50006472	13	ChEMBL_1546959 (CHEMBL3748062)	Inhibition of 6His-tagged human recombinant IDO1 expressed in Escherichia coli EC 539 using L-tryptophan as substrate after 1 hr by plate reader analysis
50006472	14	ChEMBL_1546966 (CHEMBL3748069)	Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by spectrophotometric analysis
50006472	15	ChEMBL_1546960 (CHEMBL3748063)	Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli by Michaelis-Menton nonlinear regression plot analysis in presence of L-tryptophan
50006472	16	ChEMBL_1546962 (CHEMBL3748065)	Inhibition of human recombinant IDO1 using L-tryptophan as substrate after 15 mins by Dixon plot analysis
50006472	17	ChEMBL_1546975 (CHEMBL3748078)	Inhibition of N-terminal hexa-Histidine tagged human IDO1 expressed in Escherichia coli using L-tryptophan as substrate after 30 mins by HPLC analysis
50006472	18	ChEMBL_1546972 (CHEMBL3748075)	Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using tryptophan as substrate by UV-visible absorption spectroscopy
50006472	19	ChEMBL_1546969 (CHEMBL3748072)	Inhibition of human recombinant IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 10 mins by HPLC analysis
50006473	1	ChEMBL_1546981 (CHEMBL3748084)	Binding affinity to KRAS (unknown origin)
50006473	2	ChEMBL_1546979 (CHEMBL3748082)	Binding affinity to Salmonella typhi glucose-1-phosphate cytidylyl-transferase assessed as dissociation constant by spectrophotometry
50006473	3	ChEMBL_1546982 (CHEMBL3748085)	Antiviral activity against HIV1 assessed as inhibition of integrase
50006473	4	ChEMBL_1546980 (CHEMBL3748083)	Inhibition of PTP1B (unknown origin)
50006478	1	ChEMBL_1546996 (CHEMBL3748099)	Inhibition of human ALK5 in presence of (33P)gamma ATP
50006478	2	ChEMBL_1546999 (CHEMBL3748102)	Inhibition of human ALK2 in presence of (33P)gamma ATP
50006478	3	ChEMBL_1546997 (CHEMBL3748100)	Inhibition of human KDR in presence of (33P)gamma ATP
50006479	1	ChEMBL_1543489 (CHEMBL3750336)	Induction of bovine LPL stabilization using intralipid as substrate preincubated for 10 mins with human recombinant ANGPTL4 followed by substrate addition measured after 45 mins relative to control
50006479	2	ChEMBL_1543493 (CHEMBL3750340)	Agonist activity at FXR (unknown origin)
50006479	3	ChEMBL_1543494 (CHEMBL3750341)	Agonist activity at PPARalpha (unknown origin)
50006479	4	ChEMBL_1543495 (CHEMBL3750342)	Agonist activity at PPARgamma (unknown origin)
50006479	5	ChEMBL_1543496 (CHEMBL3750343)	Agonist activity at RXRalpha (unknown origin)
50006480	1	ChEMBL_1543519 (CHEMBL3750366)	Displacement of Cy5-pNPY from human NPY2R expressed in CHO cells by flow cytometric analysis
50006480	2	ChEMBL_1543521 (CHEMBL3750368)	Displacement of Cy5-pNPY from human NPY5R expressed in HEC cells by flow cytometric analysis
50006480	3	ChEMBL_1543509 (CHEMBL3750356)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 30 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	4	ChEMBL_1543513 (CHEMBL3750360)	Displacement of [3H]UR-MK114 from NPY1R (unknown origin)
50006480	5	ChEMBL_1543515 (CHEMBL3750362)	Displacement of [3H]propionyl-pNPY from NPY1R in human HEL cells preincubated for 30 mins followed by radioligand addition at 60 to 90 mins by flow cytometric analysis
50006480	6	ChEMBL_1543506 (CHEMBL3750353)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 10 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	7	ChEMBL_1543517 (CHEMBL3750364)	Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-MC cells by radioligand binding assay
50006480	8	ChEMBL_1543522 (CHEMBL3750369)	Displacement of [3H]NPVF from human NPFF1 expressed in CHO cells by radioligand binding assay
50006480	9	ChEMBL_1543520 (CHEMBL3750367)	Displacement of Cy5-[K4]hPP from human NPY4R expressed in CHO cells by flow cytometric analysis
50006480	10	ChEMBL_1543523 (CHEMBL3750524)	Displacement of [3H]EYF from human NPFF2 expressed in CHO cells by radioligand binding assay
50006480	11	ChEMBL_1543504 (CHEMBL3750351)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 2 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	12	ChEMBL_1543499 (CHEMBL3750346)	Displacement of [3H]propionyl-pNPY from NPY1R in HEL cells after 60 to 90 mins by flow cytometric analysis
50006480	13	ChEMBL_1543525 (CHEMBL3750526)	Binding affinity to NPY1R in human SK-N-MC cells after 90 mins
50006480	14	ChEMBL_1543507 (CHEMBL3750354)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 15 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	15	ChEMBL_1543505 (CHEMBL3750352)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 5 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	16	ChEMBL_1543510 (CHEMBL3750357)	Binding affinity to human NPFF1 receptor expressed in CHO cells
50006480	17	ChEMBL_1543512 (CHEMBL3750359)	Displacement of [3H]UR-MK114 from NPY1R in human SK-N-MC cells by radioligand binding assay
50006480	18	ChEMBL_1543514 (CHEMBL3750361)	Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay
50006480	19	ChEMBL_1543518 (CHEMBL3750365)	Displacement of [3H]propionyl-pNPY from NPY1R in human SK-N-MC cells compound treated immediately post radioligand treatment measured after 2 hrs by radioligand binding assay
50006480	20	ChEMBL_1543502 (CHEMBL3750349)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 10 secs by Fura-2 dye based spectrofluorimetric analysis
50006480	21	ChEMBL_1543503 (CHEMBL3750350)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 1 min by Fura-2 dye based spectrofluorimetric analysis
50006480	22	ChEMBL_1543508 (CHEMBL3750355)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 10 nM pNPY-induced Ca+2 response preincubated for 20 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	23	ChEMBL_1543511 (CHEMBL3750358)	Binding affinity to human NPFF2 receptor expressed in CHO cells
50006480	24	ChEMBL_1543500 (CHEMBL3750347)	Displacement of [3H]propionyl-pNPY from NPY1R (unknown origin)
50006480	25	ChEMBL_1543532 (CHEMBL3750533)	Binding affinity to NPY1R in human MCF7 cells
50006480	26	ChEMBL_1543535 (CHEMBL3750536)	Binding affinity to NPY1R in human SK-N-MC cells by Scatchard plot analysis
50006480	27	ChEMBL_1543538 (CHEMBL3750539)	Antagonist activity at NPY1R in human HEL cells assessed as inhibition of 300 nM pNPY-induced Ca+2 response preincubated for 15 mins by Fura-2 dye based spectrofluorimetric analysis
50006480	28	ChEMBL_1543539 (CHEMBL3750540)	Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-MC cells
50006480	29	ChEMBL_1543497 (CHEMBL3750344)	Binding affinity to NPY1R in human SK-N-MC cells after 2 hrs by liquid scintillation counting assay
50006480	30	ChEMBL_1543530 (CHEMBL3750531)	Binding affinity to NPY1R in human SK-N-MC cells assessed as kinetically derived dissociation rate constant
50006480	31	ChEMBL_1543516 (CHEMBL3750363)	Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-MC cells preincubated with radioligand followed by protein addition for 60 mins by radioligand binding assay
50006480	32	ChEMBL_1543531 (CHEMBL3750532)	Binding affinity to NPY1R in human SK-N-MC cells
50006480	33	ChEMBL_1543536 (CHEMBL3750537)	Binding affinity to NPY1R in human MCF7-Y1 cells by Scatchard plot analysis
50006480	34	ChEMBL_1543526 (CHEMBL3750527)	Binding affinity to NPY1R in human MCF7 cells after 90 mins by microbeta2 plate counting analysis
50006480	35	ChEMBL_1543498 (CHEMBL3750345)	Binding affinity to NPY1R in human SK-N-MC cells by liquid scintillation counting assay
50006481	1	ChEMBL_1543978 (CHEMBL3750223)	Inhibition of human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) using 14C-ADP as substrate by liquid scintillation counting analysis
50006481	2	ChEMBL_1543977 (CHEMBL3750222)	Binding affinity to human ribonucleotide reductase M1 subunit expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay
50006482	1	ChEMBL_1544020 (CHEMBL3750392)	Inhibition of FGFR2 (unknown origin)
50006482	2	ChEMBL_1544038 (CHEMBL3750410)	Inhibition of LCK (unknown origin)
50006482	3	ChEMBL_1544015 (CHEMBL3750387)	Inhibition of ERK2 (unknown origin)
50006482	4	ChEMBL_1543991 (CHEMBL3750236)	Inhibition of CAMK2 (unknown origin)
50006482	5	ChEMBL_1544032 (CHEMBL3750404)	Inhibition of JAK2 (unknown origin)
50006482	6	ChEMBL_1544009 (CHEMBL3750381)	Inhibition of PIM3 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay
50006482	7	ChEMBL_1544044 (CHEMBL3750416)	Inhibition of MNK2 (unknown origin)
50006482	8	ChEMBL_1544007 (CHEMBL3750379)	Inhibition of PIM1 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay
50006482	9	ChEMBL_1544010 (CHEMBL3750382)	Inhibition of CDK1/cyclin B (unknown origin)
50006482	10	ChEMBL_1543996 (CHEMBL3750241)	Inhibition of PIM3 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay
50006482	11	ChEMBL_1544399 (CHEMBL3749777)	Inhibition of VPS34 (unknown origin)
50006482	12	ChEMBL_1544393 (CHEMBL3748469)	Inhibition of P38alpha (unknown origin)
50006482	13	ChEMBL_1544396 (CHEMBL3748472)	Inhibition of PI3Kdelta (unknown origin)
50006482	14	ChEMBL_1544389 (CHEMBL3748465)	Inhibition of TYK2 (unknown origin)
50006482	15	ChEMBL_1544392 (CHEMBL3748468)	Inhibition of ZAP70 (unknown origin)
50006482	16	ChEMBL_1544394 (CHEMBL3748470)	Inhibition of PI3Kalpha (unknown origin)
50006482	17	ChEMBL_1544395 (CHEMBL3748471)	Inhibition of PI3Kbeta (unknown origin)
50006482	18	ChEMBL_1544398 (CHEMBL3749776)	Inhibition of PI4Kbeta (unknown origin)
50006482	19	ChEMBL_1544400 (CHEMBL3749778)	Inhibition of mTOR (unknown origin)
50006482	20	ChEMBL_1544402 (CHEMBL3749780)	Inhibition of PKCtheta (unknown origin)
50006482	21	ChEMBL_1543994 (CHEMBL3750239)	Inhibition of PIM1 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay
50006482	22	ChEMBL_1543995 (CHEMBL3750240)	Inhibition of PIM2 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by kinase-Glo assay
50006482	23	ChEMBL_1544403 (CHEMBL3749781)	Inhibition of PKN1 (unknown origin)
50006482	24	ChEMBL_1544819 (CHEMBL3751306)	Inhibition of CK1 (unknown origin)
50006482	25	ChEMBL_1544820 (CHEMBL3751307)	Inhibition of p38gamma (unknown origin)
50006482	26	ChEMBL_1544008 (CHEMBL3750380)	Inhibition of PIM2 kinase (unknown origin) using Biotin-AGAGRSRHSSYPAGT-OH as substrate after 2 hrs by alphascreen assay
50006482	27	ChEMBL_1543993 (CHEMBL3750238)	Inhibition of ALK (unknown origin)
50006482	28	ChEMBL_1543990 (CHEMBL3750235)	Inhibition of BTK (unknown origin)
50006482	29	ChEMBL_1544011 (CHEMBL3750383)	Inhibition of CDK2/Cyclin A (unknown origin)
50006482	30	ChEMBL_1544014 (CHEMBL3750386)	Inhibition of CSK (unknown origin)
50006482	31	ChEMBL_1544017 (CHEMBL3750389)	Inhibition of EPHB4 (unknown origin)
50006482	32	ChEMBL_1544019 (CHEMBL3750391)	Inhibition of FGFR1 (unknown origin)
50006482	33	ChEMBL_1544028 (CHEMBL3750400)	Inhibition of HER4 (unknown origin)
50006482	34	ChEMBL_1544029 (CHEMBL3750401)	Inhibition of IGF1R (unknown origin)
50006482	35	ChEMBL_1544035 (CHEMBL3750407)	Inhibition of JNK3 (unknown origin)
50006482	36	ChEMBL_1544036 (CHEMBL3750408)	Inhibition of KDR (unknown origin)
50006482	37	ChEMBL_1544039 (CHEMBL3750411)	Inhibition of LYN (unknown origin)
50006482	38	ChEMBL_1544041 (CHEMBL3750413)	Inhibition of MK2 (unknown origin)
50006482	39	ChEMBL_1544050 (CHEMBL3750422)	Inhibition of PKCalpha (unknown origin)
50006482	40	ChEMBL_1544382 (CHEMBL3748458)	Inhibition of PLK1 (unknown origin)
50006482	41	ChEMBL_1544383 (CHEMBL3748459)	Inhibition of RET (unknown origin)
50006482	42	ChEMBL_1544385 (CHEMBL3748461)	Inhibition of RON (unknown origin)
50006482	43	ChEMBL_1544387 (CHEMBL3748463)	Inhibition of c-Src (unknown origin)
50006482	44	ChEMBL_1544021 (CHEMBL3750393)	Inhibition of FGFR3 (unknown origin)
50006482	45	ChEMBL_1544406 (CHEMBL3749784)	Inhibition of FGFR3 K650E mutant (unknown origin)
50006482	46	ChEMBL_1544030 (CHEMBL3750402)	Inhibition of IRAK4 (unknown origin)
50006482	47	ChEMBL_1544031 (CHEMBL3750403)	Inhibition of JAK1 (unknown origin)
50006482	48	ChEMBL_1544042 (CHEMBL3750414)	Inhibition of MK5 (unknown origin)
50006482	49	ChEMBL_1544049 (CHEMBL3750421)	Inhibition of PKBalpha (unknown origin)
50006482	50	ChEMBL_1544390 (CHEMBL3748466)	Inhibition of WNK1 (unknown origin)
50006482	51	ChEMBL_1544456 (CHEMBL3749925)	Inhibition of human ERG by patch clamp assay
50006482	52	ChEMBL_1544033 (CHEMBL3750405)	Inhibition of JAK3 (unknown origin)
50006482	53	ChEMBL_1544018 (CHEMBL3750390)	Inhibition of FAK (unknown origin)
50006482	54	ChEMBL_1544811 (CHEMBL3751161)	Inhibition of INS1R (unknown origin)
50006482	55	ChEMBL_1544040 (CHEMBL3750412)	Inhibition of c-MET (unknown origin)
50006482	56	ChEMBL_1544026 (CHEMBL3750398)	Inhibition of HER1 (unknown origin)
50006482	57	ChEMBL_1544045 (CHEMBL3750417)	Inhibition of PAK2 (unknown origin)
50006482	58	ChEMBL_1544012 (CHEMBL3750384)	Inhibition of CDK4/cyclin D1 (unknown origin)
50006482	59	ChEMBL_1544016 (CHEMBL3750388)	Inhibition of EPHA4 (unknown origin)
50006482	60	ChEMBL_1544023 (CHEMBL3750395)	Inhibition of FLT3 (unknown origin)
50006482	61	ChEMBL_1544027 (CHEMBL3750399)	Inhibition of HER2 (unknown origin)
50006482	62	ChEMBL_1544034 (CHEMBL3750406)	Inhibition of JNK2 (unknown origin)
50006482	63	ChEMBL_1544037 (CHEMBL3750409)	Inhibition of c-Kit (unknown origin)
50006482	64	ChEMBL_1544043 (CHEMBL3750415)	Inhibition of MNK1 (unknown origin)
50006482	65	ChEMBL_1544046 (CHEMBL3750418)	Inhibition of PDGFRalpha (unknown origin)
50006482	66	ChEMBL_1544384 (CHEMBL3748460)	Inhibition of ROCK2 (unknown origin)
50006482	67	ChEMBL_1544025 (CHEMBL3750397)	Inhibition of HCK (unknown origin)
50006482	68	ChEMBL_1544013 (CHEMBL3750385)	Inhibition of COT1 (unknown origin)
50006482	69	ChEMBL_1544397 (CHEMBL3749775)	Inhibition of PI3Kgamma (unknown origin)
50006482	70	ChEMBL_1544404 (CHEMBL3749782)	Inhibition of cABL (unknown origin)
50006482	71	ChEMBL_1544024 (CHEMBL3750396)	Inhibition of FYN (unknown origin)
50006482	72	ChEMBL_1544388 (CHEMBL3748464)	Inhibition of SYK (unknown origin)
50006482	73	ChEMBL_1543992 (CHEMBL3750237)	Inhibition of Aurora A (unknown origin)
50006482	74	ChEMBL_1544051 (CHEMBL3750423)	Inhibition of PKN2 (unknown origin)
50006482	75	ChEMBL_1544401 (CHEMBL3749779)	Inhibition of GSK3beta (unknown origin)
50006482	76	ChEMBL_1544022 (CHEMBL3750394)	Inhibition of FGFR4 (unknown origin)
50006482	77	ChEMBL_1544047 (CHEMBL3750419)	Inhibition of PDK1 (unknown origin)
50006482	78	ChEMBL_1544391 (CHEMBL3748467)	Inhibition of YES (unknown origin)
50006483	1	ChEMBL_1545187 (CHEMBL3750668)	Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA
50006483	2	ChEMBL_1545198 (CHEMBL3750679)	Inhibition of recombinant rat CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay
50006483	3	ChEMBL_1545188 (CHEMBL3750669)	Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay
50006483	4	ChEMBL_1545232 (CHEMBL3750856)	Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay
50006483	5	ChEMBL_1545290 (CHEMBL3751183)	Inhibition of MAO-A (unknown origin)
50006483	6	ChEMBL_1545233 (CHEMBL3750857)	Inhibition of human CYP19 preincubated for 10 mins with NADPH followed by protein addition measured after 90 mins by fluorometric analysis
50006486	1	ChEMBL_1545299 (CHEMBL3751192)	Binding affinity to human biotinylated AviTag GKRP assessed as inhibition of protein interaction with fluorescein tagged human glucokinase by AlphaScreen assay
50006486	2	ChEMBL_1545298 (CHEMBL3751191)	Inhibition of glucokinase-GKRP binding interaction in mouse hepatocytes assessed as induction of glucokinase translocation
50006486	3	ChEMBL_1545292 (CHEMBL3751185)	Binding affinity to human GKRP by surface plasmon resonance analysis
50006486	4	ChEMBL_1545321 (CHEMBL3751340)	Effect on human glucokinase activity after 60 mins by luciferase-based luminescence assay in absence of human GKRP
50006486	5	ChEMBL_1545322 (CHEMBL3751341)	Binding affinity to human glucokinase by surface plasmon resonance analysis
50006486	6	ChEMBL_1545293 (CHEMBL3751186)	Binding affinity to rat GKRP by surface plasmon resonance analysis
50006486	7	ChEMBL_1545294 (CHEMBL3751187)	Binding affinity to mouse GKRP by surface plasmon resonance analysis
50006486	8	ChEMBL_1545320 (CHEMBL3751339)	Binding affinity to human GKRP assessed as inhibition of protein interaction with human glucokinase by measuring ATP depletion after 60 mins by luciferase-based luminescence assay
50006488	1	ChEMBL_1545335 (CHEMBL3751354)	Inhibition of Staphylococcus aureus ATCC 6538p sortase A expressed in Escherichia coli using dabcyl-QALPETGEE-edans as substrate incubated for 1 hr by fluorescence spectrophotometry analysis
50006489	1	ChEMBL_1545338 (CHEMBL3751357)	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (Ac)-AMC as substrate after 60 mins by fluorometric analysis
50006489	2	ChEMBL_1545348 (CHEMBL3751367)	Inhibition of HDAC1 in human HeLa cell nuclear extract using Boc-Lys (Ac)-AMC as substrate after 60 mins by fluorometric analysis
50006489	3	ChEMBL_1545349 (CHEMBL3751368)	Inhibition of HDAC6 in human HeLa cell nuclear extract using Boc-Lys (Ac)-AMC as substrate after 60 mins by fluorometric analysis
50006489	4	ChEMBL_1545404 (CHEMBL3751629)	Inhibition of HDAC8 in human HeLa cell nuclear extract using Boc-Lys (Ac)-AMC as substrate after 60 mins by fluorometric analysis
50006490	1	ChEMBL_1545458 (CHEMBL3748920)	Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis relative to control
50006490	2	ChEMBL_1545459 (CHEMBL3748921)	Corrector activity at human CFTR F508 deletion mutant expressed in human A549 cells incubated for 25 mins by YFP-based fluorescence analysis
50006493	1	ChEMBL_1545532 (CHEMBL3749447)	Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic analysis
50006493	2	ChEMBL_1545531 (CHEMBL3749446)	Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay
50006495	1	ChEMBL_1545548 (CHEMBL3749463)	Inhibition of human p97 ATPase incubated for 15 mins by ADP Glo luminescence assay
50006495	2	ChEMBL_1545550 (CHEMBL3749465)	Inhibition of p97 ATPase in human A549 cells assessed as accumulation of K48 poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence assay
50006495	3	ChEMBL_1545551 (CHEMBL3749466)	Inhibition of p97 ATPase in human A549 cells assessed as accumulation of CHOP poly-ubiquitinated proteins incubated for 6 hrs by immunofluorescence assay
50006495	4	ChEMBL_1545552 (CHEMBL3749467)	Inhibition of p97 ATPase in human A549 cells assessed as reduction in p62 protein incubated for 6 hrs by immunofluorescence assay
50006495	5	ChEMBL_1545648 (CHEMBL3749132)	Inhibition of p97 ATPase (unknown origin)
50006495	6	ChEMBL_1545581 (CHEMBL3748744)	Inhibition of DNAPK (unknown origin)
50006496	1	ChEMBL_1545809 (CHEMBL3748817)	Agonist activity at progesterone receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation
50006496	2	ChEMBL_1545651 (CHEMBL3749489)	Agonist activity at recombinant His-tagged human FXR ligand binding domain assessed as SRC-1 coactivator recruitment after 4 hrs by luminescence analysis
50006496	3	ChEMBL_1545806 (CHEMBL3749555)	Agonist activity at glucocorticoid receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation
50006496	4	ChEMBL_1545808 (CHEMBL3748816)	Agonist activity at mineralocorticoid receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation
50006496	5	ChEMBL_1545649 (CHEMBL3749133)	Agonist activity at human FXR transfected in HEK293 cells assessed as transcriptional activity by luciferase reporter gene assay
50006496	6	ChEMBL_1545807 (CHEMBL3749556)	Agonist activity at androgen receptor (unknown origin) expressed in HEK293 cells assessed as transcriptional activation
50006498	1	ChEMBL_1545810 (CHEMBL3748818)	Inhibition of CSNK2A1 (unknown origin)
50006498	2	ChEMBL_1545812 (CHEMBL3748820)	Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay
50006498	3	ChEMBL_1545811 (CHEMBL3748819)	Inhibition of IRAK1 (unknown origin)
50006498	4	ChEMBL_1545842 (CHEMBL3748850)	Inhibition of RET (unknown origin)
50006498	5	ChEMBL_1545843 (CHEMBL3749183)	Inhibition of Ret V804L (unknown origin)
50006498	6	ChEMBL_1545961 (CHEMBL3749237)	Inhibition of Ret V804M (unknown origin)
50006498	7	ChEMBL_1545840 (CHEMBL3748848)	Inhibition of IRAK4 (unknown origin)
50006498	8	ChEMBL_1545841 (CHEMBL3748849)	Inhibition of CLK4 (unknown origin)
50006499	1	ChEMBL_1545989 (CHEMBL3749265)	Inhibition of human ERG channel by automated Q-patch assay
50006499	2	ChEMBL_1546022 (CHEMBL3749608)	Inhibition of Ret (unknown origin)
50006499	3	ChEMBL_1546024 (CHEMBL3749610)	Inhibition of c-Kit (unknown origin)
50006499	4	ChEMBL_1545986 (CHEMBL3749262)	Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting analysis in presence of [33]ATP
50006499	5	ChEMBL_1545985 (CHEMBL3749261)	Inhibition of KDR (unknown origin)
50006499	6	ChEMBL_1546023 (CHEMBL3749609)	Inhibition of PDGFRalpha (unknown origin)
50006500	1	ChEMBL_1546174 (CHEMBL3749317)	Agonist activity at human GPR55 expressed in HEK293 cells assessed as calcium signalling by fura 2-based digital epifluorescence microscopy
50006500	2	ChEMBL_1546321 (CHEMBL3748552)	Inhibition of GlyT1 (unknown origin) expressed in HEK293 cells by scintillation proximity assay
50006500	3	ChEMBL_1546320 (CHEMBL3749742)	Agonist activity at human GPR55 expressed in Saccharomyces cerevisiae by beta-galactosidase reporter assay
50006505	1	ChEMBL_1546324 (CHEMBL3748555)	Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method
50006505	2	ChEMBL_1546323 (CHEMBL3748554)	Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay
50006506	1	ChEMBL_1546366 (CHEMBL3748597)	Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices
50006506	2	ChEMBL_1546367 (CHEMBL3748598)	Displacement of [3H]cytisine from human recombinant alpha4beta2 nicotinic receptor expressed in SH-SY5Y cells after 120 mins by scintillation counting
50006506	3	ChEMBL_1546368 (CHEMBL3748599)	Displacement of [3H]BRL 43694 from human 5-HT3 receptor expressed in CHO cells after 120 mins by scintillation counting
50006507	1	ChEMBL_1547021 (CHEMBL3748124)	Antagonist activity at human platelet P2Y1 receptor assessed as inhibition of ADP-induced increase in cytosolic calcium level by FLUO-4 staining based flow cytometric analysis
50006507	2	ChEMBL_1547015 (CHEMBL3748118)	Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 staining based flow cytometric analysis
50006507	3	ChEMBL_1547050 (CHEMBL3748153)	Partial antagonist activity at human platelet P2Y12 receptor assessed as inhibition of PGE1/ADP-mediated decrease in intra-platelet phosphorylated VASP after 10 mins by FLUO-4 staining based flow cytometric analysis
50006508	1	ChEMBL_1547055 (CHEMBL3748158)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50006508	2	ChEMBL_1547056 (CHEMBL3748159)	Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50006508	3	ChEMBL_1547065 (CHEMBL3748168)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as free enzyme preincubated for 5 mins followed by substrate addition measured over 6 mins by Lineweaver Burk plot analysis
50006508	4	ChEMBL_1547064 (CHEMBL3748167)	Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as enzyme-substrate complex preincubated for 5 mins followed by substrate addition measured over 6 mins by Lineweaver Burk plot analysis
50006509	1	ChEMBL_1543550 (CHEMBL3750551)	Inhibition of Staphylococcus aureus PBP2 transglycosylase activity after 30 mins by continous fluorescence assay
50006510	1	ChEMBL_1543555 (CHEMBL3750556)	Agonist activity at human beta-3 adrenergic receptor expressed in CHO cells assessed as reduction in cAMP level after 30 mins by LANCE TR-FRET assay
50006510	2	ChEMBL_1543557 (CHEMBL3750558)	Displacement of [125I]CYP from human beta-1 adrenergic receptor expressed in CHO cell membrane after 1 hr by scintillation counting method
50006510	3	ChEMBL_1543580 (CHEMBL3750698)	Inhibition of human ERG by IKr binding assay
50006510	4	ChEMBL_1543558 (CHEMBL3750559)	Displacement of [125I]CYP from human beta-2 adrenergic receptor expressed in CHO cell membrane after 1 hr by scintillation counting method
50006512	1	ChEMBL_1543581 (CHEMBL3750699)	Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis
50006512	2	ChEMBL_1543582 (CHEMBL3750700)	Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis
50006512	3	ChEMBL_1543584 (CHEMBL3750702)	Displacement of [3H]DPCPX from rat cortical membrane adenosine A1 receptor by gamma-scintillation counting analysis
50006512	4	ChEMBL_1543588 (CHEMBL3750706)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HeLa cells
50006512	5	ChEMBL_1543585 (CHEMBL3750703)	Competitive antagonist activity at YFP linked human adenosine A3 receptor expressed in CHO CRE-SPAP cells assessed as inhibition of NECA-induced receptor internalization preincubated for 30 mins followed by addition of NECA measured after 60 mins by H33342 staining-based fluorescence analysis
50006513	1	ChEMBL_1543597 (CHEMBL3750715)	Competitive inhibition of rat recombinant PDE10A by scintillation proximity assay in presence of cAMP
50006513	2	ChEMBL_1543592 (CHEMBL3750710)	Inhibition of human recombinant PDE10A using cAMP as substrate preincubated for 20 mins followed by substrate addition measured after 2 hrs by FRET assay
50006513	3	ChEMBL_1543595 (CHEMBL3750713)	Inhibition of human recombinant PDE2A using cAMP as substrate preincubated for 20 mins followed by substrate addition measured after 2 hrs by FRET assay
50006513	4	ChEMBL_1543596 (CHEMBL3750714)	Binding affinity to human recombinant PDE10A after 15 mins by surface plasmon resonance assay
50006514	1	ChEMBL_1544052 (CHEMBL3750424)	Inhibition of human LDHA using pyruvate as substrate assessed as disappearance of NADH
50006514	2	ChEMBL_1543598 (CHEMBL3750716)	Inhibition of human LDHA using pyruvate as substrate assessed as disappearance of NADH preincubated for 10 mins followed by substrate addition every 2.5 secs for 10 mins by fluorescence analysis
50006517	1	ChEMBL_1544055 (CHEMBL3750563)	Inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rapid green malachite assay
50006517	2	ChEMBL_1544057 (CHEMBL3750565)	Non-competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rapid green malachite assay
50006517	3	ChEMBL_1544056 (CHEMBL3750564)	Competitive inhibition of recombinant N-terminal truncated human cytosolic 5'-nucleotidase-2 assessed as inhibition of inosine 5'-monophosphate hydrolysis by rapid green malachite assay
50006519	1	ChEMBL_1544071 (CHEMBL3750579)	Activation of PXR (unknown origin)
50006519	2	ChEMBL_1544115 (CHEMBL3750734)	Inhibition of CYP3A4 (unknown origin)
50006519	3	ChEMBL_1544072 (CHEMBL3750580)	Inhibition of PDE10A (unknown origin) by IMAP assay
50006519	4	ChEMBL_1544116 (CHEMBL3750735)	Inhibition of CYP2C9 (unknown origin)
50006519	5	ChEMBL_1544117 (CHEMBL3750736)	Inhibition of CYP2D6 (unknown origin)
50006520	1	ChEMBL_1546411 (CHEMBL3748966)	Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescence counting analysis
50006520	2	ChEMBL_1546423 (CHEMBL3748978)	Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scintillation and luminescence counting analysis
50006522	1	ChEMBL_1547769 (CHEMBL3756328)	Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay
50006523	1	ChEMBL_1547775 (CHEMBL3756334)	Inhibition of VGFR-2 (unknown origin) using poly-GluTyr (4:1) as substrate after 5 mins by Alpha Screen assay
50006523	2	ChEMBL_1548031 (CHEMBL3757594)	Inhibition of VGFR-2 (unknown origin)
50006523	3	ChEMBL_1547774 (CHEMBL3756333)	Inhibition of recombinant VGFR-2 (unknown origin)
50006524	1	ChEMBL_1548274 (CHEMBL3755541)	Agonist activity at human melanocortin 4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation incubated for 3 mins in presence of IBMX
50006524	2	ChEMBL_1548269 (CHEMBL3755536)	Displacement of 125I-labeled [Nle4,DPhe7]-alpha-MSH from human melanocortin 3 receptor expressed in HEK293 cells incubated for 40 mins by gamma counting analysis
50006524	3	ChEMBL_1548273 (CHEMBL3755540)	Agonist activity at human melanocortin 3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation incubated for 3 mins in presence of IBMX
50006524	4	ChEMBL_1548268 (CHEMBL3755535)	Displacement of 125I-labeled [Nle4,DPhe7]-alpha-MSH from human melanocortin 1 receptor expressed in HEK293 cells incubated for 40 mins by gamma counting analysis
50006524	5	ChEMBL_1548270 (CHEMBL3755537)	Displacement of 125I-labeled [Nle4,DPhe7]-alpha-MSH from human melanocortin 4 receptor expressed in HEK293 cells incubated for 40 mins by gamma counting analysis
50006524	6	ChEMBL_1548271 (CHEMBL3755538)	Displacement of 125I-labeled [Nle4,DPhe7]-alpha-MSH from human melanocortin 5 receptor expressed in HEK293 cells incubated for 40 mins by gamma counting analysis
50006524	7	ChEMBL_1548272 (CHEMBL3755539)	Agonist activity at human melanocortin 1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation incubated for 3 mins in presence of IBMX
50006524	8	ChEMBL_1548275 (CHEMBL3755542)	Agonist activity at human melanocortin 5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation incubated for 3 mins in presence of IBMX
50006527	1	ChEMBL_1548298 (CHEMBL3755749)	Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate by Ellman spectrophotometric method
50006527	2	ChEMBL_1548296 (CHEMBL3755747)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate at by Ellman spectrophotometric method
50006528	1	ChEMBL_1548303 (CHEMBL3755754)	Agonist activity at mu-opioid receptor in Hartley guinea pig isolated ileum assessed as inhibition of contraction in electrically stimulated muscle
50006528	2	ChEMBL_1548302 (CHEMBL3755753)	Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of contraction in electrically stimulated muscle
50006528	3	ChEMBL_1548299 (CHEMBL3755750)	Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis
50006528	4	ChEMBL_1548300 (CHEMBL3755751)	Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis
50006531	1	ChEMBL_1548721 (CHEMBL3754980)	Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by ITC analysis
50006531	2	ChEMBL_1548485 (CHEMBL3756832)	Binding affinity to Cyclophilin B (unknown origin) at 10 to 30 uM by surface plasmon resonance analysis
50006531	3	ChEMBL_1548486 (CHEMBL3756833)	Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis
50006531	4	ChEMBL_1548487 (CHEMBL3756834)	Binding affinity to Cyclophilin B (unknown origin) by surface plasmon resonance analysis
50006531	5	ChEMBL_1548484 (CHEMBL3756831)	Binding affinity to Cyclophilin A (unknown origin) at 0.625 nM to 10 uM by surface plasmon resonance analysis
50006532	1	ChEMBL_1549298 (CHEMBL3758003)	Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis
50006533	1	ChEMBL_1549326 (CHEMBL3755032)	Binding affinity to ERbeta (unknown origin)
50006533	2	ChEMBL_1549325 (CHEMBL3755031)	Binding affinity to ERalpha (unknown origin)
50006534	1	ChEMBL_1549327 (CHEMBL3755033)	Antagonist activity at capsaicin-stimulated human TRPV1 receptor in aequorin expressing cells preincubated for 2.5 mins followed by capsaicin addition
50006535	1	ChEMBL_1549338 (CHEMBL3755044)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006535	2	ChEMBL_1549335 (CHEMBL3755041)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006535	3	ChEMBL_1549337 (CHEMBL3755043)	Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006535	4	ChEMBL_1549339 (CHEMBL3755045)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006535	5	ChEMBL_1549336 (CHEMBL3755042)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006535	6	ChEMBL_1549340 (CHEMBL3755046)	Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006536	1	ChEMBL_1549349 (CHEMBL3755055)	Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay
50006536	2	ChEMBL_1549350 (CHEMBL3755056)	Inhibition of human BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay
50006536	3	ChEMBL_1549346 (CHEMBL3755052)	Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay
50006536	4	ChEMBL_1549348 (CHEMBL3755054)	Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay
50006537	1	ChEMBL_1549554 (CHEMBL3756217)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006537	2	ChEMBL_1549556 (CHEMBL3756219)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006537	3	ChEMBL_1549553 (CHEMBL3756216)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006537	4	ChEMBL_1549555 (CHEMBL3756218)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay
50006538	1	ChEMBL_1549577 (CHEMBL3756240)	Inhibition of human MMP9 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by microplate reader analysis
50006538	2	ChEMBL_1549576 (CHEMBL3756239)	Inhibition of MMP8 (unknown origin) using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by microplate reader analysis
50006538	3	ChEMBL_1549578 (CHEMBL3756241)	Inhibition of MMP13 (unknown origin) using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by microplate reader analysis
50006538	4	ChEMBL_1549575 (CHEMBL3756238)	Inhibition of human MMP2 using (7-methoxycoumarin-4-yl) acetyl pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl]-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by microplate reader analysis
50006539	1	ChEMBL_1549586 (CHEMBL3756463)	Inhibition of c-Met (unknown origin) by mobility shift assay
50006540	1	ChEMBL_1549811 (CHEMBL3757695)	Displacement of biotinylated ECM from human placental integrin alphavbeta3 receptor incubated for 3 hrs
50006540	2	ChEMBL_1549810 (CHEMBL3757694)	Displacement of 125-I-echistatin from human placental integrin alphavbeta3 receptor incubated for 3 hrs by microplate scintillation counting analysis
50006541	1	ChEMBL_1549815 (CHEMBL3757699)	Agonist activity at ERalpha in human MCF7 cells assessed as induction of cell proliferation incubated for 5 days by WST-8 assay
50006542	1	ChEMBL_1549819 (CHEMBL3757703)	Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis
50006542	2	ChEMBL_1549818 (CHEMBL3757702)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50006542	3	ChEMBL_1549824 (CHEMBL3757708)	Noncompetitive inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate assessed as steady state inhibition constant preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal plot analysis
50006542	4	ChEMBL_1549817 (CHEMBL3757701)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50006542	5	ChEMBL_1549820 (CHEMBL3757704)	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated followed by substrate addition by Ellman's method
50006542	6	ChEMBL_1549821 (CHEMBL3757705)	Inhibition of human carboxylesterase 1 using o-nitrophenylacetate as substrate by spectrophotometry analysis
50006542	7	ChEMBL_1549822 (CHEMBL3757706)	Competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal plot analysis
50006542	8	ChEMBL_1549823 (CHEMBL3757707)	Noncompetitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as steady state inhibition constant preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal plot analysis
50006544	1	ChEMBL_1550249 (CHEMBL3760532)	Agonist activity at recombinant human NMU2 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay
50006544	2	ChEMBL_1550246 (CHEMBL3760529)	Agonist activity at recombinant human NMU1 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay
50006545	1	ChEMBL_1550287 (CHEMBL3760764)	Displacement of [125I]BOB-4 from Amyloid beta (1 to 42) (unknown origin)
50006548	1	ChEMBL_1550686 (CHEMBL3760354)	Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as effect on CP55,940-induced inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by CP55,940 addition measured for 30 mins by HitHunter assay
50006548	2	ChEMBL_1550698 (CHEMBL3760366)	Activity at CB1R in mouse brain membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding preincubated for 60 mins prior to [35S]GTPgammaS addition by liquid scintillation spectrometric analysis
50006548	3	ChEMBL_1550695 (CHEMBL3760363)	Positive allosteric modulator activity at human CB1R expressed in CHO cells assessed as enhanced binding of [3H]CP55,940 after 60 mins by liquid scintillation spectrometric analysis
50006548	4	ChEMBL_1550684 (CHEMBL3760352)	Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of CP55,940-induced beta-arrestin recruitment preincubated for 30 mins followed by CP55,940 addition measured for 90 mins by PathHunter assay
50006549	1	ChEMBL_1551032 (CHEMBL3761046)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate assessed as substrate hydrolysis preincubated for 20 mins followed by substrate addition measured after 30 mins by Ellman's assay
50006550	1	ChEMBL_1551033 (CHEMBL3761047)	Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by HPLC analysis
50006550	2	ChEMBL_1551034 (CHEMBL3761048)	Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay
50006552	1	ChEMBL_1553466 (CHEMBL3768637)	Inhibition of HCV RNA polymerase
50006553	1	ChEMBL_1557000 (CHEMBL3772331)	Binding affinity to full length HIV1 NL4-3 capsid (1 to 231 residues) by isothermal titration calorimetry
50006553	2	ChEMBL_1556999 (CHEMBL3772330)	Binding affinity to HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) by isothermal titration calorimetry
50006553	3	ChEMBL_1557013 (CHEMBL3772497)	Binding affinity to full length HIV1 NL4-3 capsid by isothermal titration calorimetry
50006553	4	ChEMBL_1557014 (CHEMBL3772498)	Binding affinity to HIV1 NL4-3 capsid N-terminal domain by isothermal titration calorimetry
50006553	5	ChEMBL_1556996 (CHEMBL3772327)	Binding affinity to recombinant N-terminal GST-tagged HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) incubated for 2 hrs by alphascreen assay
50006553	6	ChEMBL_1557007 (CHEMBL3772491)	Binding affinity to HIV1 NL4-3 dimeric capsid C-terminal domain (146 to 231 residues) by isothermal titration calorimetry
50006553	7	ChEMBL_1557016 (CHEMBL3772500)	Binding affinity to HIV1 NL4-3 capsid at 25 degC by isothermal titration calorimetry
50006553	8	ChEMBL_1557006 (CHEMBL3772490)	Binding affinity to full length HIV1 NL4-3 dimeric capsid (1 to 231 residues) by isothermal titration calorimetry
50006554	1	ChEMBL_1556436 (CHEMBL3772467)	Inhibition of Influenza A virus wild type M2 proton channel infected in Xenopus laevis oocytes after 2 mins by TEVC assay
50006555	1	ChEMBL_1565175 (CHEMBL3782567)	Inhibition of human GST tagged Tcf4/beta catenin interaction after 2 hrs using fluorescent AP Attophos substrate by ELISA analysis
50006555	2	ChEMBL_1565174 (CHEMBL3782566)	Inhibition of His6 tagged Tcf4 1-53/beta catenin (unknown origin) interaction by VP-ITC titration calorimeter method
50006556	1	ChEMBL_1563469 (CHEMBL3783062)	Inhibition of Plasmodium falciparum PMV assessed as fluorogenic substrate cleavage using DABCYL-RNKRTLAQKQ-E-EDANS as fluorogenic substrate after 120 mins by fluorescence plate reader method
50006559	1	ChEMBL_1567015 (CHEMBL3791516)	Inhibition of recombinant HIV1 His-tagged p66/p51 reverse transcriptase expressed in Escherichia coli assessed as reduction in [3H]dTTP incorporation using poly(rA)-oligo(dT) (12 to 18 bp) as template/primer incubated for 20 mins by scintillation counting method
50006561	1	ChEMBL_1576252 (CHEMBL3801198)	Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay
50006561	2	ChEMBL_1576253 (CHEMBL3801199)	Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay
50006561	3	ChEMBL_1576251 (CHEMBL3801197)	Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay
50006561	4	ChEMBL_1576256 (CHEMBL3801202)	Binding affinity to N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration microcalorimetric method
50006561	5	ChEMBL_1576259 (CHEMBL3801205)	Inhibition of MDM2 in human HCT116 p53+/+ cells assessed as growth inhibition
50006561	6	ChEMBL_1576260 (CHEMBL3801206)	Inhibition of Bcl2 in human DMS53 cells assessed as growth inhibition
50006561	7	ChEMBL_1576255 (CHEMBL3801201)	Binding affinity to N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration microcalorimetric method
50006561	8	ChEMBL_1576254 (CHEMBL3801200)	Binding affinity to N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration microcalorimetric method
50006561	9	ChEMBL_1576441 (CHEMBL3803118)	Binding affinity to 15N-labeled MDM2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic method
50006561	10	ChEMBL_1576440 (CHEMBL3803117)	Binding affinity to 15N-labeled Bcl-2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic method
50006563	1	ChEMBL_1576442 (CHEMBL3803119)	Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged MEKK2 as substrate preincubated for 30 mins followed by substrate addition by scintillation proximity assay in presence of [3H]SAM
50006563	2	ChEMBL_1576460 (CHEMBL3803388)	Inhibition of SMYD2 (unknown origin)
50006563	3	ChEMBL_1576443 (CHEMBL3803120)	Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by incubation for 24 hrs at 37 degC by Western blot analysis
50006563	4	ChEMBL_1576462 (CHEMBL3803390)	Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varying N-terminal GST-tagged MEKK2 substrate and fixed SAM levels preincubated for 30 mins followed by substrate addition by filter plate assay
50006563	5	ChEMBL_1576461 (CHEMBL3803389)	Mixed type inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-terminal GST-tagged MEKK2 substrate and varying SAM levels preincubated for 30 mins followed by substrate addition by filter plate assay
50006563	6	ChEMBL_1576463 (CHEMBL3803391)	Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-terminal GST-tagged MEKK2 substrate and varying SAM levels preincubated for 30 mins followed by substrate addition by filter plate assay
50006564	1	ChEMBL_1572709 (CHEMBL3803997)	Inhibition of recombinant P300 catalytic domain (1284 to 1673 residues) (unknown origin) using FITC- histone H4 peptide (1 to 19 residues) as substrate by electrophoretic mobility shift assay
50006564	2	ChEMBL_1572706 (CHEMBL3803994)	Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic electrophoresis in presence of DTT
50006564	3	ChEMBL_1572707 (CHEMBL3803995)	Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic electrophoresis in presence of DTT and BSA
50006564	4	ChEMBL_1572704 (CHEMBL3803992)	Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic electrophoresis
50006564	5	ChEMBL_1572705 (CHEMBL3803993)	Inhibition of recombinant P300 (1195 to 1662 residues) (unknown origin) using FITC-histone H4 as substrate incubated for 10 mins by microfluidic electrophoresis in presence of BSA
50006567	1	ChEMBL_1572729 (CHEMBL3804017)	Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis
50006572	1	ChEMBL_1572913 (CHEMBL3801236)	Antagonist activity at CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay
50006572	2	ChEMBL_1572914 (CHEMBL3801237)	Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCl25-mediated cell migration preincubated for 30 mins followed CCL25 addition incubated for 2 hrs by ChemoTx plate system
50006572	3	ChEMBL_1572912 (CHEMBL3801235)	Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay
50006574	1	ChEMBL_1572954 (CHEMBL3801464)	Antagonist activity at human CCR4 expressed in CHO cells by [35S]GTPgammaS assay
50006574	2	ChEMBL_1572951 (CHEMBL3801461)	Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method
50006574	3	ChEMBL_1572955 (CHEMBL3801465)	Induction of CCR4 internalisation in human HUT78 cells after 30 mins by flow cytometry
50006575	1	ChEMBL_1573145 (CHEMBL3802881)	Displacement of [3H]-5HT from recombinant rat 5-Ht6 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting
50006575	2	ChEMBL_1573142 (CHEMBL3802878)	Displacement of [3H]-LSD from rat 5-Ht6 receptor expressed in HEK cells after 60 mins by liquid scintillation counting
50006575	3	ChEMBL_1573143 (CHEMBL3802879)	Binding affinity to 5-Ht6 receptor (unknown origin)
50006575	4	ChEMBL_1573144 (CHEMBL3802880)	Displacement of [3H]-LSD from recombinant rat 5-Ht6 receptor expressed in HEK293 cells after 120 mins by liquid scintillation counting
50006576	1	ChEMBL_1573183 (CHEMBL3803161)	Inhibition of mTOR (unknown origin)
50006576	2	ChEMBL_1573149 (CHEMBL3802885)	Inhibition of human recombinant PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	3	ChEMBL_1573152 (CHEMBL3802888)	Inhibition of PI3Kbeta in PTEN deficient human MDA-MB-468 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 2 hrs by plate reader analysis
50006576	4	ChEMBL_1573179 (CHEMBL3802915)	Tight binding affinity to human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	5	ChEMBL_1573162 (CHEMBL3802898)	Inhibition of CYP1A2 (unknown origin)
50006576	6	ChEMBL_1573165 (CHEMBL3802901)	Inhibition of CYP2D6 (unknown origin)
50006576	7	ChEMBL_1573178 (CHEMBL3802914)	Tight binding affinity to human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	8	ChEMBL_1573164 (CHEMBL3802900)	Inhibition of CYP2C19 (unknown origin)
50006576	9	ChEMBL_1573148 (CHEMBL3802884)	Inhibition of human recombinant PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	10	ChEMBL_1573147 (CHEMBL3802883)	Inhibition of human recombinant PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	11	ChEMBL_1573146 (CHEMBL3802882)	Inhibition of PI3Kdelta in human JeKo1 cells assessed as inhibition of AKT phosphorylation at Ser-473 residue after 1 hr
50006576	12	ChEMBL_1573150 (CHEMBL3802886)	Inhibition of human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	13	ChEMBL_1573161 (CHEMBL3802897)	Inhibition of human ERG
50006576	14	ChEMBL_1573184 (CHEMBL3803162)	Inhibition of DNAPK (unknown origin)
50006576	15	ChEMBL_1573163 (CHEMBL3802899)	Inhibition of CYP2C9 (unknown origin)
50006576	16	ChEMBL_1573180 (CHEMBL3802916)	Tight binding affinity to human recombinant PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate addition measured after 80 mins by luminescence assay
50006576	17	ChEMBL_1573166 (CHEMBL3802902)	Inhibition of CYP3A4 (unknown origin)
50006577	1	ChEMBL_1573186 (CHEMBL3803164)	Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK2b using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 1 hr by HTRF assay
50006577	2	ChEMBL_1573187 (CHEMBL3803165)	Inhibition of CDK1 (unknown origin)
50006577	3	ChEMBL_1573185 (CHEMBL3803163)	Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay
50006577	4	ChEMBL_1573191 (CHEMBL3803169)	Inhibition of MNK1/2 in human KMS11-luc cells assessed as inhibition of EIF4E phosphorylation at S209 after 3 hrs by quantitative electrochemiluminescence assay
50006577	5	ChEMBL_1573194 (CHEMBL3803172)	Inhibition of CDK9 (unknown origin)
50006577	6	ChEMBL_1573188 (CHEMBL3803166)	Inhibition of CDK2 (unknown origin)
50006577	7	ChEMBL_1573198 (CHEMBL3803176)	Inhibition of PIM2 (unknown origin)
50006577	8	ChEMBL_1573199 (CHEMBL3803177)	Inhibition of ROCK2 (unknown origin)
50006577	9	ChEMBL_1573197 (CHEMBL3803175)	Inhibition of FLT3 (unknown origin)
50006577	10	ChEMBL_1573196 (CHEMBL3803174)	Inhibition of CAMK2D (unknown origin)
50006578	1	ChEMBL_1573204 (CHEMBL3803182)	Inhibition of human urokinase using Pyr-Gly-Arg-MCA as substrate by fluorescence assay
50006578	2	ChEMBL_1573203 (CHEMBL3803181)	Inhibition of human plasmin using Boc-Val-Leu-Lys-MCA as substrate by fluorescence assay
50006579	1	ChEMBL_1573208 (CHEMBL3803186)	Positive allosteric modulation of human mGlu1 receptor assessed as increase in glutamate-induced calcium mobilization
50006579	2	ChEMBL_1573383 (CHEMBL3804545)	Positive allosteric modulation of rat mGlu1 receptor assessed as increase in glutamate-induced calcium mobilization
50006579	3	ChEMBL_1573206 (CHEMBL3803184)	Positive allosteric modulation of human mGlu1 receptor expressed in wild type T-Rex 293 cells assessed as increase in glutamate-induced calcium mobilization incubated for 2 mins before glutamate stimulation for 2.2 mins
50006579	4	ChEMBL_1573390 (CHEMBL3804552)	Inhibition of CYP1A2 (unknown origin)
50006579	5	ChEMBL_1573391 (CHEMBL3804553)	Inhibition of CYP2D6 (unknown origin)
50006579	6	ChEMBL_1573392 (CHEMBL3804554)	Inhibition of CYP2C9 (unknown origin)
50006579	7	ChEMBL_1573393 (CHEMBL3804555)	Inhibition of CYP3A4 (unknown origin)
50006579	8	ChEMBL_1573398 (CHEMBL3804560)	Positive allosteric modulation of human mGlu1 receptor assessed as glutamate pEC50 at 10 uM (Rvb = 6.007 +/- 0.076 No_unit)
50006579	9	ChEMBL_1573399 (CHEMBL3804561)	Positive allosteric modulation of human mGlu1 receptor assessed as glutamate EC50 at 10 uM (Rvb = 983.4 nM)
50006580	1	ChEMBL_1573405 (CHEMBL3804567)	Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method
50006580	2	ChEMBL_1573401 (CHEMBL3804563)	Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mins by FRET assay
50006580	3	ChEMBL_1573404 (CHEMBL3804566)	Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by Qpatch clamp method
50006580	4	ChEMBL_1573414 (CHEMBL3800778)	Inhibition of recombinant human Nav1.3 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mins by FRET assay
50006580	5	ChEMBL_1573413 (CHEMBL3804575)	Inhibition of recombinant human Nav1.2 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mins by FRET assay
50006580	6	ChEMBL_1573402 (CHEMBL3804564)	Inhibition of human Nav1.7 expressed in HEK293F cells measured at -65 mV holding potential by voltage-patch clamp method
50006580	7	ChEMBL_1573415 (CHEMBL3800779)	Inhibition of recombinant human Nav1.6 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mins by FRET assay
50006583	1	ChEMBL_1573665 (CHEMBL3802394)	Inhibition of human C-RAF measured after 40 mins by scintillation counting
50006583	2	ChEMBL_1573848 (CHEMBL3803792)	Inhibition of human ERG assessed as reduction in channel current by automated patch-clamp electrophysiology assay
50006583	3	ChEMBL_1573664 (CHEMBL3802393)	Inhibition of BRAF V600E mutant (unknown origin) measured after 40 mins by scintillation counting
50006587	1	ChEMBL_1575333 (CHEMBL3801851)	Inhibition of GARFTase (unknown origin)
50006588	1	ChEMBL_1575591 (CHEMBL3803908)	Inhibition of human sphingosine 1-phosphate lyase after 22 hrs by umbelliferone fluorescence analysis
50006588	2	ChEMBL_1575592 (CHEMBL3803909)	Inhibition of wild-type full-length human sphingosine 1-phosphate lyase transfected in HEK293-H cells preincubated for 30 mins followed by addition of NBD-sphingosine for 3 hrs by fluorescence analysis
50006594	1	ChEMBL_1575830 (CHEMBL3801873)	Inhibition of human recombinant MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis
50006594	2	ChEMBL_1575831 (CHEMBL3801874)	Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis
50006597	1	ChEMBL_1575833 (CHEMBL3801876)	Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate after 2 hrs by gamma counting analysis
50006597	2	ChEMBL_1575834 (CHEMBL3801877)	Antagonist activity at CRF1 receptor in human Y79 cells assessed as inhibition of CRF-stimulated cAMP production preincubated for 30 mins followed by CRF addition measured after 30 mins by HTRF assay
50006599	1	ChEMBL_1575843 (CHEMBL3801886)	Inhibition of 17betaHSD3 (unknown origin) transfected in HEK293 cells
50006599	2	ChEMBL_1575837 (CHEMBL3801880)	Inhibition of 17betaHSD3 (unknown origin) transfected in human LNCAP cells assessed as conversion of [14C]-4-androstene-3,17-dione into [14C]-testosterone after 3 hrs
50006601	1	ChEMBL_1575430 (CHEMBL3802512)	Inhibition of HIV1 wild type reverse transcriptase p66/p51 using poly(rA) template and measured after 40 mins by picogreen based spectrofluorometry
50006602	1	ChEMBL_1576587 (CHEMBL3807382)	Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta1gamma1 expressed in Escherichia coli BL21 cells after 1 to 10 mins by biolayer interferometry
50006602	2	ChEMBL_1576586 (CHEMBL3807381)	Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta2gamma1 expressed in Escherichia coli BL21 cells after 1 to 10 mins by biolayer interferometry
50006604	1	ChEMBL_1578874 (CHEMBL3813272)	Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by measuring reduction in NADH production incubated for 60 mins by micro plate reader analysis
50006604	2	ChEMBL_1578875 (CHEMBL3813273)	Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by malachite green dye based assay
50006604	3	ChEMBL_1578863 (CHEMBL3813261)	Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as reduction in native refolded rhodanese-mediated thiocyanate production by micro plate reader analysis
50006604	4	ChEMBL_1578862 (CHEMBL3813260)	Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of denatured rhodanese refolding by measuring reduction in thiocyanate production incubated for 60 mins by micro plate reader analysis
50006604	5	ChEMBL_1578864 (CHEMBL3813262)	Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as reduction in pig heart native refolded MDH-mediated NADH production by micro plate reader analysis
50006604	6	ChEMBL_1578865 (CHEMBL3813263)	Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by measuring reduction in NADH production incubated for 60 mins by micro plate reader analysis
50006604	7	ChEMBL_1578866 (CHEMBL3813264)	Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by malachite green dye based assay
50006605	1	ChEMBL_1583709 (CHEMBL3815796)	Inhibition of Abeta42 (unknown origin) aggregation measured after 24 hrs by ThT fluorescence assay
50006606	1	ChEMBL_1586628 (CHEMBL3821983)	Competitive inhibition of wild type beta-catenin (unknown origin) expressed in Escherichia coli BL21 DE3 interaction with N-terminally biotinylated human BCL9 (350 to 375 residues) by alpha screen assay
50006608	1	ChEMBL_1587274 (CHEMBL3826198)	Inhibition of CAI-biotin peptide binding to GST-tagged HIV1 capsid C-terminal domain by alphascreen assay
50006609	1	ChEMBL_1590555 (CHEMBL3828932)	Inhibition of HCV RNA polymerase
50006611	1	ChEMBL_1590145 (CHEMBL3829413)	Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis
50006612	1	ChEMBL_1613444 (CHEMBL3855244)	Inhibition of recombinant HIV1 reverse transcriptase K103N/Y181C double mutant using DIG-dUTP/biotin-dUTP/dTTP assessed as suppression of biotin-dUTP incorporation after 1 hr by ELISA
50006615	1	ChEMBL_1614753 (CHEMBL3856822)	Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-EALFQGPPVK-DNP-rrr-NH2 as substrate measured up to 2 hrs by FRET-based enzyme assay
50006615	2	ChEMBL_1614754 (CHEMBL3856823)	Inhibition of recombinant Coxsackievirus B3 C-terminal 6His-tagged 3C protease expressed in Escherichia coli BL21 preincubated for 20 mins followed by addition of fluorogenic peptide as substrate by Cheng-Prusoff equation analysis
50006615	3	ChEMBL_1614760 (CHEMBL3856829)	Competitive inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated with protein followed by addition of NMA-EALFQGPPVK-DNP-rrr-NH2 as substrate measured every 5 mins for 2 hrs by Dixon plot analysis
50006615	4	ChEMBL_1614755 (CHEMBL3856824)	Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-EALFQGPPVK-DNP-rrr-NH2 as substrate measured every 10 mins for 2 hrs by FRET-based enzyme assay
50006617	1	ChEMBL_1617685 (CHEMBL3859754)	Binding affinity to human recombinant tubulin alpha 1A/tubulin beta chain after 30 mins by fluorescence quenching assay
50006618	1	ChEMBL_1617697 (CHEMBL3859766)	Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 20 to 40 mins by fluorescence based assay
50006618	2	ChEMBL_1617699 (CHEMBL3859768)	Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 20 to 40 mins by malachite green dye based fluorescence assay
50006618	3	ChEMBL_1617698 (CHEMBL3859767)	Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 40 to 60 mins by fluorescence based assay
50006618	4	ChEMBL_1617700 (CHEMBL3859769)	Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preincubated for 10 mins followed by ATP addition measured after 40 to 60 mins by malachite green dye based fluorescence assay
50006621	1	ChEMBL_1617976 (CHEMBL3860145)	Inhibition of recombinant wild type HIV1 p66/p51 using poly(rA) template/oligo(dT)16 primer after 40 mins by PicoGreen-based spectrofluorometric method
50006623	1	ChEMBL_1623786 (CHEMBL3866198)	Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cell titer glo based luciferase reporter gene assay
50006623	2	ChEMBL_1623785 (CHEMBL3866197)	Inhibition of HIV-1 3B reverse transcriptase K103N mutant infected in human MT4 cells assessed as inhibition of viral replication after 5 days by cell titer glo based luciferase reporter gene assay
50006624	1	ChEMBL_1626014 (CHEMBL3868483)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant infected in human MT2 cells assessed as protection against viral infection by MTT assay
50006624	2	ChEMBL_1626013 (CHEMBL3868482)	Inhibition of HIV1 reverse transcriptase Y181C mutant infected in human MT2 cells assessed as protection against viral infection by MTT assay
50006626	1	ChEMBL_1626982 (CHEMBL3869503)	Binding affinity to N-terminal GST-tagged Hsp90 (unknown origin) expressed in Escherichia coli by ITC method
50006629	1	ChEMBL_1627821 (CHEMBL3870406)	Displacement of [3H]RX821002 from alpha-2 adrenergic receptor in human brain pre-frontal cortex neural membranes after 30 mins by liquid scintillation counting method
50006630	1	ChEMBL_1628560 (CHEMBL3871145)	Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay
50006631	1	ChEMBL_1636319 (CHEMBL3879217)	Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substrate preincubated for 10 mins followed by substrate addition measured for 2 hrs by FRET assay
50006631	2	ChEMBL_1636374 (CHEMBL3879272)	Inhibition of full length Escherichia coli His6-tagged LepB expressed in Escherichia coli C43(DE3) using dabcyl-VEVGGTATAGAFSRPGLE-(EDANS) as substrate preincubated for 10 mins followed by substrate addition measured after 1 week by FRET assay
50006632	1	ChEMBL_1646516 (CHEMBL3995572)	Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs under dark condition by thioflavin-T based fluorometric assay
50006635	1	ChEMBL_1650564 (CHEMBL3999698)	Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by ThT fluorescence assay
50006637	1	ChEMBL_1654594 (CHEMBL4003960)	Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate after 60 mins by OPA reagent based fluorescence assay
50006638	1	ChEMBL_1655787 (CHEMBL4005257)	Inhibition of L-type calcium channel in Sprague-Dawley rat aortic rings assessed as reduction in Bay K8644-induced vasoconstriction preincubated with aortic rings followed by Bay K8644 addition
50006638	2	ChEMBL_1655779 (CHEMBL4005249)	Inhibition of 60 mM K+ activated L-type calcium channel-mediated vasoconstriction in Sprague-Dawley rat aortic rings preincubated followed by 60 mM K+ addition
50006638	3	ChEMBL_1655782 (CHEMBL4005252)	Inhibition of L-type calcium channel in Sprague-Dawley rat aortic rings assessed as reduction in phenylephrine-induced vasoconstriction preincubated with aortic rings followed by phenylephrine addition
50006639	1	ChEMBL_1656009 (CHEMBL4005479)	Inhibition of PI3Kbeta in PTEN-deficient human PC3 cells assessed as decrease in AKT1 phosphorylation at Ser473 after 2 hrs
50006639	2	ChEMBL_1656010 (CHEMBL4005480)	Inhibition of PI3Kbeta in PTEN-deficient human LNCaP cells assessed as decrease in AKT1 phosphorylation at Ser473 after 2 hrs
50006639	3	ChEMBL_1656011 (CHEMBL4005481)	Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-415 cells assessed as decrease in AKT1 phosphorylation at Ser473 after 2 hrs
50006639	4	ChEMBL_1656012 (CHEMBL4005482)	Inhibition of PI3Kbeta in PTEN-deficient human ZR-75-1 cells assessed as decrease in AKT1 phosphorylation at Ser473 after 2 hrs
50006639	5	ChEMBL_1656004 (CHEMBL4005474)	Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay
50006639	6	ChEMBL_1656002 (CHEMBL4005472)	Inhibition of human full length PI3K p110alpha/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay
50006639	7	ChEMBL_1656003 (CHEMBL4005473)	Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2/ATP as substrate after 30 mins by TR-FRET assay
50006639	8	ChEMBL_1656001 (CHEMBL4005471)	Inhibition of human ERG
50006639	9	ChEMBL_1656005 (CHEMBL4005475)	Inhibition of human full length PI3Kgamma using PIP2/ATP as substrate after 30 mins by TR-FRET assay
50006639	10	ChEMBL_1656008 (CHEMBL4005478)	Inhibition of PI3K p110beta in PTEN-deficient human PC3 cells assessed as decrease in AKT phosphorylation at ser473 after 2 hrs by TR-FRET assay
50006640	1	ChEMBL_1656067 (CHEMBL4005537)	Binding affinity to Influenza A virus M2 transmembrane domain by analytical ultracentrifugation method
50006641	1	ChEMBL_1656115 (CHEMBL4005585)	Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using p53 derived (379 to 382 residues) fluorogenic peptide substrate RHKK(Ac)-AMC preincubated for 10 mins followed by substrate addition in presence of NAD+ by fluorescence assay
50006641	2	ChEMBL_1656134 (CHEMBL4005604)	Inhibition of human SIRT2 (25 to 389 residues) using (Z-Lys(Acetyl)-AMC) as substrate after 4 hrs in presence of NAD+ by fluorescence assay
50006641	3	ChEMBL_1656135 (CHEMBL4005605)	Inhibition of human SIRT6 (13 to 308 residues) using Ac-EALPKK(Myristoyl)TGG-NH2 as substrate after 10 mins in presence of NAD+ by fluorescence assay
50006641	4	ChEMBL_1656120 (CHEMBL4005590)	Inhibition of recombinant human N-terminal His-tagged SIRT5 (37 to 310 end residues) expressed in Escherichia coli using Ac-K(Succ)-AMC as substrate in presence of NAD+ by fluorescence assay
50006641	5	ChEMBL_1656121 (CHEMBL4005591)	Inhibition of recombinant human N-terminal GST-tagged SIRT3 (101 to 399 residues) expressed in Escherichia coli using p53 derived (379 to 382 residues) fluorogenic peptide substrate RHKK(Ac)-AMC) preincubated for 10 mins followed by substrate addition in presence of NAD+ by fluorescence assay
50006641	6	ChEMBL_1656117 (CHEMBL4005587)	Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli in presence of NAD+ by enzyme coupled SIRT-Glo assay
50006641	7	ChEMBL_1656118 (CHEMBL4005588)	Inhibition of recombinant human C-terminal His-tagged SIRT2 (50 to 389 end residues) expressed in Escherichia coli using tubulin-K40 peptide in presence of NAD+
50006641	8	ChEMBL_1656119 (CHEMBL4005589)	Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 end residues) expressed in Escherichia coli using p53 derived (379 to 382 residues) fluorogenic peptide substrate RHKK(Ac)-AMC preincubated for 10 mins followed by substrate addition in presence of NAD+ by fluorescence assay
50006641	9	ChEMBL_1656129 (CHEMBL4005599)	Inhibition of GST-tagged SIRT2 (18 to 340 residues) (unknown origin) expressed in Escherichia coli BL21-(DE3)LysS cells
50006641	10	ChEMBL_1656130 (CHEMBL4005600)	Inhibition of SIRT1 (unknown origin)
50006641	11	ChEMBL_1656131 (CHEMBL4005601)	Inhibition of human SIRT2
50006641	12	ChEMBL_1656132 (CHEMBL4005602)	Inhibition of human SIRT1
50006641	13	ChEMBL_1656133 (CHEMBL4005603)	Inhibition of human SIRT1 (133 to 747 residues) using (Z-Lys(Acetyl)-AMC) as substrate after 4 hrs in presence of NAD+ by fluorescence assay
50006642	1	ChEMBL_1656137 (CHEMBL4005607)	Inhibition of recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL assessed as inhibition of methylation activity using biotin-labeled H3 (1 to 25 residues) as substrate and [3H]-SAM after 2 hrs by scintillation proximity assay
50006642	2	ChEMBL_1656138 (CHEMBL4005608)	Inhibition of recombinant G9a catalytic SET domain (913 to 1193 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL assessed as inhibition of methylation activity using biotin-labeled H3 (1 to 25 residues) as substrate and [3H]-SAM after 2 hrs by scintillation proximity assay
50006642	3	ChEMBL_1656197 (CHEMBL4005667)	Binding affinity to recombinant GLP catalytic SET domain (982 to 1266 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL in presence of SAM by isothermal titration calorimetry
50006642	4	ChEMBL_1656198 (CHEMBL4005668)	Binding affinity to recombinant G9a catalytic SET domain (913 to 1193 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) codon plus RIL in presence of SAM by isothermal titration calorimetry
50006644	1	ChEMBL_1656244 (CHEMBL4005714)	Inhibition of JAK3 in human whole blood assessed as inhibition of IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition and measured after 15 mins by Alexa Fluor 647 staining based flow cytometric analysis
50006644	2	ChEMBL_1656290 (CHEMBL4005760)	Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system by KT236 probe based TR-FRET assay
50006644	3	ChEMBL_1656291 (CHEMBL4005761)	Inhibition of full length recombinant human His-tagged cytoplasmic BMX expressed in baculovirus expression system by KT236 probe based TR-FRET assay
50006644	4	ChEMBL_1656292 (CHEMBL4005762)	Inhibition of full length recombinant human GST-tagged cytoplasmic ITK expressed in baculovirus expression system by KT236 probe based TR-FRET assay
50006644	5	ChEMBL_1656293 (CHEMBL4005763)	Inhibition of recombinant human N-terminal GST-tagged TXK using GEPLYWSFPAKKK as substrate measured every 60 secs for 1 hr by PK/LDH coupled spectrophotometric assay
50006644	6	ChEMBL_1656294 (CHEMBL4005764)	Inhibition of full length human His-tagged TEC by KT178 probe based TR-FRET assay
50006644	7	ChEMBL_1656295 (CHEMBL4005765)	Inhibition of full length recombinant human His-tagged cytoplasmic BTK expressed in baculovirus expression system by KT236 probe based TR-FRET assay
50006644	8	ChEMBL_1656296 (CHEMBL4005766)	Inhibition of full length recombinant human His-tagged cytoplasmic BLK expressed in baculovirus expression system by KT236 probe based TR-FRET assay
50006644	9	ChEMBL_1656251 (CHEMBL4005721)	Inhibition of JAK3 in human PBMC assessed as inhibition of IL-15 induced STAT5 phosphorylation preincubated for 75 mins followed by IL-15 addition and measured after 15 mins by Alexa Fluor 647 staining based flow cytometry
50006644	10	ChEMBL_1656250 (CHEMBL4005720)	Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by microfluidic assay
50006644	11	ChEMBL_1656249 (CHEMBL4005719)	Inhibition of recombinant human GST-tagged cytoplasmic JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by microfluidic assay
50006644	12	ChEMBL_1656248 (CHEMBL4005718)	Inhibition of recombinant human GST-tagged cytoplasmic JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by microfluidic assay
50006644	13	ChEMBL_1656246 (CHEMBL4005716)	Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by microfluidic assay
50006644	14	ChEMBL_1656245 (CHEMBL4005715)	Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate in presence of 4 uM ATP by microfluidic assay
50006644	15	ChEMBL_1656304 (CHEMBL4005774)	Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system in presence of 1 mM ATP by KT236 probe based TR-FRET assay
50006644	16	ChEMBL_1656305 (CHEMBL4005775)	Inhibition of full length recombinant human His-tagged cytoplasmic BMX expressed in baculovirus expression system in presence of 1 mM ATP by KT236 probe based TR-FRET assay
50006644	17	ChEMBL_1656306 (CHEMBL4005776)	Inhibition of full length recombinant human GST-tagged cytoplasmic ITK expressed in baculovirus expression system in presence of 1 mM ATP by KT236 probe based TR-FRET assay
50006644	18	ChEMBL_1656307 (CHEMBL4005777)	Inhibition of recombinant human N-terminal GST-tagged TXK using GEPLYWSFPAKKK as substrate in presence of 1 mM ATP measured every 60 secs for 1 hr by PK/LDH coupled spectrophotometric assay
50006644	19	ChEMBL_1656308 (CHEMBL4005778)	Inhibition of full length human His-tagged TEC in presence of 1 mM ATP by KT178 probe based TR-FRET assay
50006644	20	ChEMBL_1656309 (CHEMBL4005779)	Inhibition of full length recombinant human His-tagged cytoplasmic BTK expressed in baculovirus expression system in presence of 1 mM ATP by KT236 probe based TR-FRET assay
50006644	21	ChEMBL_1656310 (CHEMBL4005780)	Inhibition of full length recombinant human His-tagged cytoplasmic BLK expressed in baculovirus expression system in presence of 1 mM ATP by KT236 probe based TR-FRET assay
50006644	22	ChEMBL_1656311 (CHEMBL4005781)	Inhibition of N-terminal GST-tagged human HER4 cytoplasmic domain expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP
50006644	23	ChEMBL_1656312 (CHEMBL4005782)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP
50006644	24	ChEMBL_1656313 (CHEMBL4005783)	Inhibition of human N-terminal His-tagged HER2 expressed in baculovirus expression system in presence of 1 mM ATP
50006644	25	ChEMBL_1656314 (CHEMBL4005784)	Inhibition of human N-terminal GST-tagged full length MAP2K7 expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP
50006644	26	ChEMBL_1656315 (CHEMBL4005785)	Inhibition of JAK3 in human whole blood assessed as free drug concentration required for inhibition of IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition and measured after 15 mins by Alexa Fluor 647 staining based flow cytometric analysis
50006644	27	ChEMBL_1656247 (CHEMBL4005717)	Inhibition of recombinant human GST-tagged cytoplasmic JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDYMTMQID as substrate in presence of 40 uM ATP by microfluidic assay
50006646	1	ChEMBL_1656335 (CHEMBL4005805)	Displacement of [3H]-Astemizole from human ERG expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50006647	1	ChEMBL_1656350 (CHEMBL4005820)	Inhibition of STS in human MCF7 cells
50006647	2	ChEMBL_1656351 (CHEMBL4005821)	Inhibition of placental microsomal steroid sulfatase (unknown origin)
50006647	3	ChEMBL_1656345 (CHEMBL4005815)	Inhibition of human placenta steroid sulfatase using p-nitrophenyl sulfate as substrate after 15 mins
50006648	1	ChEMBL_1656356 (CHEMBL4005826)	Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPH
50006652	1	ChEMBL_1656378 (CHEMBL4005848)	Inhibition of CDK9/cyclin T1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	2	ChEMBL_1656377 (CHEMBL4005847)	Inhibition of CDK7/cyclin H (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	3	ChEMBL_1656374 (CHEMBL4005844)	Inhibition of CDK6/cyclin D3 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	4	ChEMBL_1656375 (CHEMBL4005845)	Inhibition of CDK1/cyclin B (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	5	ChEMBL_1656376 (CHEMBL4005846)	Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	6	ChEMBL_1656373 (CHEMBL4005843)	Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assay
50006652	7	ChEMBL_1656437 (CHEMBL4005907)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH
50006652	8	ChEMBL_1656438 (CHEMBL4005908)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH
50006652	9	ChEMBL_1656439 (CHEMBL4005909)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate in presence of NADPH
50006652	10	ChEMBL_1656440 (CHEMBL4005910)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate in presence of NADPH
50006652	11	ChEMBL_1656441 (CHEMBL4005911)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH
50006652	12	ChEMBL_1656442 (CHEMBL4005912)	Inhibition of human ERG expressed in CHO cells by patch clamp electrophysiology
50006653	1	ChEMBL_1656495 (CHEMBL4005965)	Inhibition of human topoisomerase-2alpha-mediated relaxation of supercoiled pBR322 DNA after 1 hr by ethidium bromide staining based agarose gel electrophoresis
50006654	1	ChEMBL_1656596 (CHEMBL4006066)	Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA based fluorescence assay
50006654	2	ChEMBL_1656597 (CHEMBL4006067)	Competitive inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in LPC hydrolysis measured every 30 secs for 90 mins by Lineweaver-Burk plot analysis
50006654	3	ChEMBL_1656601 (CHEMBL4006071)	Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate after 15 mins
50006655	1	ChEMBL_1656606 (CHEMBL4006076)	Inhibition of recombinant human N-terminal His-tagged ST6Gal-1 (44 to 406 residues) using CMP-Neu5Ac as substrate after 20 mins by UV/RP-HPLC method
50006656	1	ChEMBL_1656620 (CHEMBL4006090)	Inhibition of DOT1L in human KOPN8 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay
50006656	2	ChEMBL_1656619 (CHEMBL4006089)	Inhibition of DOT1L in human THP-1 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay
50006656	3	ChEMBL_1656618 (CHEMBL4006088)	Inhibition of DOT1L in human MV4-11 cells assessed as reduction in cell viability after 72 hrs by alamar blue assay
50006656	4	ChEMBL_1656617 (CHEMBL4006087)	Binding affinity to human N-terminal 6His-tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) after 150 secs by SPR-based binding assay
50006656	5	ChEMBL_1656610 (CHEMBL4006080)	Inhibition of N-terminal 6His-tagged human DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) at preincubated for 15 mins followed by [3H]-SAM addition measured after 120 mins by radioactive methylation assay
50006657	1	ChEMBL_1657118 (CHEMBL4006588)	Inhibition of EG5 (unknown origin)
50006659	1	ChEMBL_1657123 (CHEMBL4006593)	Inhibition of Campylobacter jejuni NCTC 11168 PglD acetyltransferase expressed in Escherichia coli BL-21(DE3) strain (Stratagene) assessed as release of CoASH preincubated for 30 mins followed by addition of 300 uM AcCoA and 500 uM UDP-4-aminosugar as substrate by Ellman's method
50006659	2	ChEMBL_1657122 (CHEMBL4006592)	Inhibition of Campylobacter jejuni NCTC 11168 PglD acetyltransferase expressed in Escherichia coli BL-21(DE3) strain (Stratagene) assessed as release of CoASH preincubated for 45 mins followed by addition of AcCoA and UDP-4-aminosugar measured after 30 mins by fragment-based high-throughput screening analysis
50006659	3	ChEMBL_1657121 (CHEMBL4006591)	Competitive inhibition of Campylobacter jejuni NCTC 11168 PglD acetyltransferase expressed in Escherichia coli BL-21(DE3) strain (Stratagene) assessed as release of CoASH preincubated for 30 mins followed by addition of UDP-4-aminosugar and 2 fold excess AcCoA as substrate by Ellman's method
50006659	4	ChEMBL_1657126 (CHEMBL4006596)	Competitive inhibition of Campylobacter jejuni NCTC 11168 PglD acetyltransferase expressed in Escherichia coli BL-21(DE3) strain (Stratagene) assessed as release of CoASH preincubated for 30 mins followed by addition of UDP-4-aminosugar and 5 fold excess AcCoA as substrate by Ellman's method
50006661	1	ChEMBL_1661651 (CHEMBL4011263)	Inhibition of recombinant wild type HIV-1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer after 40 mins by ELISA
50006662	1	ChEMBL_1662584 (CHEMBL4012265)	Inhibition of p38 MAPK (unknown origin) using ATF2 as substrate measured after 15 by ELISA
50006663	1	ChEMBL_1662846 (CHEMBL4012527)	Inhibition of HBV capsid assembly infected in human HepG2(2.2.15) cells assessed as inhibition of intracellular viral DNA level after 8 days by agarose gel electrophoresis method
50006664	1	ChEMBL_1666355 (CHEMBL4016151)	Inhibition of COX-mediated PGD2/PGE2 production in arachidonic acid-stimulated RBL1 cells preincubated for 2 hrs followed by A23187 induction for 15 mins by LC/MS/MS analysis
50006665	1	ChEMBL_1671650 (CHEMBL4021679)	Inhibition of rilpivirine-resistant HIV1 NL4-3 reverse transcriptase E138K mutant infected in human TZM-b1 cells after 2 days by bright Glo-luciferase reporter gene assay
50006666	1	ChEMBL_1671689 (CHEMBL4021718)	Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein mutant in late endosomes after 24 hrs by Hoechst 33342 staining based fluorescence microscopic analysis
50006668	1	ChEMBL_1678288 (CHEMBL4028431)	Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 as substrate after 30 mins by fluorescence assay
50006668	2	ChEMBL_1678294 (CHEMBL4028437)	Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 as substrate after 30 mins by fluorescence assay
50006669	1	ChEMBL_1699648 (CHEMBL4050630)	Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922
50006669	2	ChEMBL_1699652 (CHEMBL4050634)	Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853
50006669	3	ChEMBL_1699657 (CHEMBL4050639)	Inhibition of LpxC in Pseudomonas aeruginosa isolate 847
50006671	1	ChEMBL_1702168 (CHEMBL4053401)	Inhibition of recombinant amyloid beta (1 to 42) fibrils (unknown origin) by thioflavin-T fluorescence assay
50006671	2	ChEMBL_1702158 (CHEMBL4053391)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay
50006671	3	ChEMBL_1702163 (CHEMBL4053396)	Displacement of [N-methyl-11C]6-Me-BTA-1 from pre-aggregated amyloid beta (1 to 40) fibrils (unknown origin) after 30 mins by scintillation counting method
50006671	4	ChEMBL_1702164 (CHEMBL4053397)	Displacement of [3H]PIB from human amyloid beta (1 to 40) fibrils after 3 hrs by liquid scintillation counting
50006671	5	ChEMBL_1702165 (CHEMBL4053398)	Inhibition of human amyloid beta (1 to 40) aggregation after 1 hr by thioflavin-T fluorescence assay
50006671	6	ChEMBL_1702166 (CHEMBL4053399)	Inhibition of human amyloid beta (1 to 42) aggregation after 46 to 48 hrs by Thioflavin T fluorescence assay
50006672	1	ChEMBL_1704114 (CHEMBL4055347)	Inhibition of HIV-1 reverse transcriptase L100I mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	2	ChEMBL_1704117 (CHEMBL4055350)	Inhibition of HIV-1 reverse transcriptase E138K mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	3	ChEMBL_1704118 (CHEMBL4055351)	Inhibition of HIV-1 reverse transcriptase Y181C mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	4	ChEMBL_1704120 (CHEMBL4055353)	Inhibition of HIV-1 reverse transcriptase G190A mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	5	ChEMBL_1704116 (CHEMBL4055349)	Inhibition of HIV-1 reverse transcriptase V106A mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	6	ChEMBL_1704115 (CHEMBL4055348)	Inhibition of HIV-1 reverse transcriptase K103N mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	7	ChEMBL_1704119 (CHEMBL4055352)	Inhibition of HIV-1 reverse transcriptase Y188L mutant assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006672	8	ChEMBL_1704111 (CHEMBL4055344)	Inhibition of recombinant wild-type HIV-1 reverse transcriptase p66/p51 RNA-dependent DNA polymerase activity expressed in Escherichia coli JM109 assessed as reduction in dTTP incorporation using poly(rA)/oligo(dT)16 as template/primer after 40 mins by PicoGreen dye based spectrofluorometric analysis
50006674	1	ChEMBL_1707101 (CHEMBL4058334)	Antimicrobial activity against vancomycin-resistant Enterococcus faecalis NCTC12201 after 8 hrs
50004011	1	ChEMBL_1804493 (CHEMBL4303096)	Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine
50004011	2	ChEMBL_1804551 (CHEMBL4303775)	Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB
50004011	3	ChEMBL_1804552 (CHEMBL4303776)	Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4)  by displacement of 3H-QNB
50004011	4	ChEMBL_1804491 (CHEMBL4303094)	Displacement of [3H]-pentazocin from the Sigma1 receptor
50004011	5	ChEMBL_1804490 (CHEMBL4303093)	Displacement of [3H]-DTG from the Sigma2 receptor
50004011	6	ChEMBL_1804485 (CHEMBL4303088)	Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine
50004011	7	ChEMBL_1804487 (CHEMBL4303090)	Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB
50004011	8	ChEMBL_1804553 (CHEMBL4303777)	Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB
50004011	9	ChEMBL_1804550 (CHEMBL4303774)	Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB
50004011	10	ChEMBL_1804555 (CHEMBL4303779)	hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells
50004011	11	ChEMBL_1804492 (CHEMBL4303095)	Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine
50004195	1	ChEMBL_1805484 (CHEMBL4304843)	Inhibition of MD2-TLR4 protein-protein interaction in ICR mouse peritoneal macrophages assessed as reduction in LPS-induced IL-6 production preincubated for 2 hrs followed by LPS-stimulation and measured after 22 hrs by ELISA
50004195	2	ChEMBL_1805485 (CHEMBL4304844)	Inhibition of MD2-TLR4 protein-protein interaction in ICR mouse peritoneal macrophages assessed as reduction in LPS-induced TNFalpha production preincubated for 2 hrs followed by LPS-stimulation and measured after 22 hrs by ELISA
50004195	3	ChEMBL_1805489 (CHEMBL4304848)	Binding affinity to recombinant human 10His-tagged MD2 (Glu17 to Asn160 residues) expressed in Escherichia coli by surface plasmon resonance analysis
50004195	4	ChEMBL_1805490 (CHEMBL4304849)	Binding affinity to recombinant human C-terminal 10His-tagged TLR4 (Glu24 to Lys631 residues) expressed in mouse NS0 cells by surface plasmon resonance analysis
50004196	1	ChEMBL_1805606 (CHEMBL4304965)	Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assay
50004196	2	ChEMBL_1805607 (CHEMBL4304966)	Inhibition of BACE2 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assay
50004196	3	ChEMBL_1805609 (CHEMBL4304968)	Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reduction in Abeta42 level measured after 18 hrs by sandwich ELISA
50004196	4	ChEMBL_1805611 (CHEMBL4304970)	Displacement of [3H]-JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes by scintillation counting method
50004196	5	ChEMBL_1805610 (CHEMBL4304969)	Displacement of [3H]-JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes by scintillation counting method
50004197	1	ChEMBL_1805641 (CHEMBL4305000)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	2	ChEMBL_1805643 (CHEMBL4305002)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	3	ChEMBL_1805639 (CHEMBL4304998)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	4	ChEMBL_1805640 (CHEMBL4304999)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	5	ChEMBL_1805642 (CHEMBL4305001)	Inhibition of CYP2D6 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	6	ChEMBL_1805644 (CHEMBL4305003)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by LC-MS/MS analysis
50004197	7	ChEMBL_1805633 (CHEMBL4304992)	Reversible binding affinity to recombinant human GST-tagged MYOF C2 domain (3445 to 3912 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50004199	1	ChEMBL_1805683 (CHEMBL4305042)	Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured after 1 hr by horseradish peroxidase-coupled chemiluminescence assay
50004199	2	ChEMBL_1805685 (CHEMBL4305044)	Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate measured after 1 hr by horseradish peroxidase-coupled chemiluminescence assay
50004199	3	ChEMBL_1805711 (CHEMBL4305070)	Inhibition of human N-terminal GST-tagged TNKS1 (1001 to 1327 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate measured after 1 hr by horseradish peroxidase-coupled chemiluminescence assay
50004199	4	ChEMBL_1805712 (CHEMBL4305071)	Inhibition of human N-terminal GST-tagged TNKS2 (667 to 1166 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate measured after 1 hr by horseradish peroxidase-coupled chemiluminescence assay
50004199	5	ChEMBL_1805719 (CHEMBL4305078)	Inhibition of PARP2 (unknown origin)
50004199	6	ChEMBL_1805720 (CHEMBL4305079)	Inhibition of human PARP1 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scintillation counting method
50004199	7	ChEMBL_1805718 (CHEMBL4305077)	Inhibition of PARP1 (unknown origin)
50004199	8	ChEMBL_1805721 (CHEMBL4305080)	Inhibition of human PARP2 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scintillation counting method
50004202	1	ChEMBL_1805761 (CHEMBL4305120)	Inhibition of wild-type human partial length CSF1R (I564 to S939 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	2	ChEMBL_1805745 (CHEMBL4305104)	Inhibition of wild type c-KIT phosphorylation at Y719 residue in human COLO320DM cells after 2 hrs by Western blot analysis
50004202	3	ChEMBL_1805740 (CHEMBL4305099)	Binding affinity to c-KIT V559D/T670I double mutant (unknown origin)
50004202	4	ChEMBL_1805741 (CHEMBL4305100)	Inhibition of wild-type His-tagged c-KIT (unknown origin) expressed in baculovirus infected sf9 cells pre-incubated for 60 mins followed by ATP addition and measured after 1 hr by Z-LYTE assay
50004202	5	ChEMBL_1805742 (CHEMBL4305101)	Inhibition of His-tagged c-KIT T670I mutant (544 to 935 residues) (unknown origin) expressed in baculovirus infected sf9 cells pre-incubated for 60 mins followed by ATP addition and measured after 1 hr by Z-LYTE assay
50004202	6	ChEMBL_1805743 (CHEMBL4305102)	Inhibition of TEL fused wild type c-KIT (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y703 residue after 2 hrs by Western blot analysis
50004202	7	ChEMBL_1805748 (CHEMBL4305107)	Inhibition of TEL fused wild type c-KIT (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y719 residue after 2 hrs by Western blot analysis
50004202	8	ChEMBL_1805750 (CHEMBL4305109)	Inhibition of TEL fused wild type c-KIT T670I mutant (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y703 residue after 2 hrs by Western blot analysis
50004202	9	ChEMBL_1805752 (CHEMBL4305111)	Inhibition of TEL fused wild type c-KIT T670I mutant (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y823 residue after 2 hrs by Western blot analysis
50004202	10	ChEMBL_1805762 (CHEMBL4305121)	Inhibition of wild-type human partial length CSNK1A1 (M1 to L301 residues) expressed in mammalian expression system after 1 hr by Z-LYTE assay
50004202	11	ChEMBL_1805763 (CHEMBL4305122)	Inhibition of wild-type human partial length NEK1 (M1 to K278 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	12	ChEMBL_1805764 (CHEMBL4305123)	Inhibition of wild-type human partial length PAK2 (P151 to R525 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	13	ChEMBL_1805767 (CHEMBL4305126)	Inhibition of wild-type human partial length PIM3 (G16 to A317 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	14	ChEMBL_1805768 (CHEMBL4305127)	Inhibition of wild-type human partial length STK25 (V14 to H295 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	15	ChEMBL_1805766 (CHEMBL4305125)	Inhibition of wild-type human partial length PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system after 1 hr by Z-LYTE assay
50004202	16	ChEMBL_1805747 (CHEMBL4305106)	Inhibition of wild type c-KIT phosphorylation at Y823 residue in human COLO320DM cells after 2 hrs by Western blot analysis
50004202	17	ChEMBL_1805739 (CHEMBL4305098)	Binding affinity to c-KIT (unknown origin)
50004202	18	ChEMBL_1805746 (CHEMBL4305105)	Inhibition of wild type c-KIT phosphorylation at Y703 residue in human COLO320DM cells after 2 hrs by Western blot analysis
50004202	19	ChEMBL_1805749 (CHEMBL4305108)	Inhibition of TEL fused wild type c-KIT (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y823 residue after 2 hrs by Western blot analysis
50004202	20	ChEMBL_1805765 (CHEMBL4305124)	Inhibition of wild-type human partial length PDGFRA (V575 to D1002 residues) expressed in mammalian expression system after 1 hr by Z-LYTE assay
50004202	21	ChEMBL_1805751 (CHEMBL4305110)	Inhibition of TEL fused wild type c-KIT T670I mutant (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y719 residue after 2 hrs by Western blot analysis
50004278	1	ChEMBL_1805875 (CHEMBL4305234)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using MAO substrate measured after 1 hr by luciferin reagent-based MAO-Glo assay
50004278	2	ChEMBL_1805871 (CHEMBL4305230)	Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expressed in mouse NS0 cells using cadaverine hydrochloride as substrate preincubated for 20 mins followed by substrate addition by ROS-Glo assay
50004278	3	ChEMBL_1805873 (CHEMBL4305232)	Inhibition of recombinant human SSAO expressed in CHO cells by MAO-Glo assay
50004278	4	ChEMBL_1805874 (CHEMBL4305233)	Inhibition of MAOA (unknown origin) using MAO substrate measured after 1 hr by luciferin reagent-based MAO-Glo assay
50004278	5	ChEMBL_1805877 (CHEMBL4305236)	Inhibition of human ERG expressed in CHOK1 cells by Q-patch electrophysiology method
50004338	1	ChEMBL_1805881 (CHEMBL4305240)	Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate addition
50004338	2	ChEMBL_1805912 (CHEMBL4305271)	Inhibition of human neutrophil proteinase 3 using M4765 as substrate preincubated for 5 mins followed by substrate addition
50004338	3	ChEMBL_1805906 (CHEMBL4305265)	Inhibition of human leukocyte cathepsin G using S7388 as substrate preincubated for 5 mins followed by substrate addition
50004352	1	ChEMBL_1805921 (CHEMBL4305280)	Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis
50004352	2	ChEMBL_1805934 (CHEMBL4305293)	Inhibition of recombinant human CYP3A4 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescence probe substrate-based assay
50004352	3	ChEMBL_1805959 (CHEMBL4305318)	Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in absence of NADPH by LC-MS/MS analysis
50004352	4	ChEMBL_1805932 (CHEMBL4305291)	Inhibition of recombinant human CYP2C19 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescence probe substrate-based assay
50004352	5	ChEMBL_1805933 (CHEMBL4305292)	Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescence probe substrate-based assay
50004352	6	ChEMBL_1805938 (CHEMBL4305297)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by PatchXpress automated electrophysiology method
50004352	7	ChEMBL_1805941 (CHEMBL4305300)	Displacement of [3H]U69593 from human kappa opioid receptor after 60 mins by radiometric scintillation method
50004352	8	ChEMBL_1805960 (CHEMBL4305319)	Time dependent inhibition of CYP2D6 in human liver microsomes measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50004352	9	ChEMBL_1805962 (CHEMBL4305321)	Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS analysis
50004352	10	ChEMBL_1805931 (CHEMBL4305290)	Inhibition of recombinant human CYP2C9 expressed in insect cell microsomes in presence of NADPH-regenerating system after 15 to 45 mins by fluorescence probe substrate-based assay
50004374	1	ChEMBL_1805996 (CHEMBL4305355)	Binding affinity to human polyhisitdine-tagged/puritin-fused IRE1 by surface plasmon resonance analysis
50004433	1	ChEMBL_1806085 (CHEMBL4305444)	Inhibition of N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	2	ChEMBL_1806080 (CHEMBL4305439)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins by DELFIA
50004433	3	ChEMBL_1806078 (CHEMBL4305437)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	4	ChEMBL_1806095 (CHEMBL4305454)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311His mutant expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	5	ChEMBL_1806093 (CHEMBL4305452)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	6	ChEMBL_1806092 (CHEMBL4305451)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Ala mutant expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	7	ChEMBL_1806099 (CHEMBL4305458)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Ser mutant expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	8	ChEMBL_1806098 (CHEMBL4305457)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Thr mutant expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	9	ChEMBL_1806100 (CHEMBL4305459)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Ser mutant expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	10	ChEMBL_1806096 (CHEMBL4305455)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311His mutant expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	11	ChEMBL_1806079 (CHEMBL4305438)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	12	ChEMBL_1806081 (CHEMBL4305440)	Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature incubated for 2 hrs by SYPRO orange dye-based thermal shift assay
50004433	13	ChEMBL_1806097 (CHEMBL4305456)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Thr mutant expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	14	ChEMBL_1806082 (CHEMBL4305441)	Covalent binding affinity to N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature incubated for 6 hrs by SYPRO orange dye-based thermal shift assay
50004433	15	ChEMBL_1806091 (CHEMBL4305450)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Ala mutant expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs by DELFIA
50004433	16	ChEMBL_1806094 (CHEMBL4305453)	Displacement of biotinylated AVPF from N-terminal His tagged recombinant human XIAP-BIR3 Lys311Tyr mutant expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	17	ChEMBL_1806086 (CHEMBL4305445)	Inhibition of N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 8 hrs by DELFIA
50004433	18	ChEMBL_1806084 (CHEMBL4305443)	Inhibition of N-terminal His tagged recombinant human XIAP-BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins by DELFIA
50004434	1	ChEMBL_1806175 (CHEMBL4305534)	Inhibition of recombinant N-terminal His-tagged human FER (SH2 domain to C-terminal) expressed in Escherichia coli assessed as decrease in FL-Peptide22 substrate phosphorylation incubated for 90 mins
50004438	1	ChEMBL_1806215 (CHEMBL4305574)	Binding affinity to GST-tagged ERRalpha-LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay
50004438	2	ChEMBL_1806214 (CHEMBL4305573)	Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in (African Green monkey CV1 cells incubated for 20 hrs by luciferase reporter gene assay
50004488	1	ChEMBL_1806322 (CHEMBL4305681)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50004488	2	ChEMBL_1806316 (CHEMBL4305675)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins
50004488	3	ChEMBL_1806320 (CHEMBL4305679)	Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins
50004488	4	ChEMBL_1806299 (CHEMBL4305658)	Inhibition of alpha-glucosidase (unknown origin)
50004488	5	ChEMBL_1806296 (CHEMBL4305655)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins
50004488	6	ChEMBL_1806300 (CHEMBL4305659)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50004488	7	ChEMBL_1806298 (CHEMBL4305657)	Inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50004488	8	ChEMBL_1806302 (CHEMBL4305661)	Inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate preincubated for 15 mins followed by substrate addition
50004488	9	ChEMBL_1806306 (CHEMBL4305665)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50004488	10	ChEMBL_1806309 (CHEMBL4305668)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 30 mins followed by substrate addition measured for 60 secs by spectrophotometric analysis
50004488	11	ChEMBL_1806312 (CHEMBL4305671)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins
50004488	12	ChEMBL_1806314 (CHEMBL4305673)	Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins
50004488	13	ChEMBL_1806317 (CHEMBL4305676)	Inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50004488	14	ChEMBL_1806323 (CHEMBL4305682)	Competitive inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50004488	15	ChEMBL_1806311 (CHEMBL4305670)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins
50004488	16	ChEMBL_1806318 (CHEMBL4305677)	Non-competitive inhibition of alpha-glucosidase (unknown origin) using p-nitro phenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50004507	1	ChEMBL_1806325 (CHEMBL4305684)	Inhibition of recombinant human SIRT2 defatty-acylase activity using SFP3 as substrate measured at 5 mins interval for 60 mins in presence of NAD+ by fluorescence assay
50004507	2	ChEMBL_1806332 (CHEMBL4305691)	Inhibition of recombinant human SIRT2 demyristoylase activity using p53(Myr)-AMC as substrate measured after 3 hrs in presence of NAD+ and trypsin by fluorescence assay
50004507	3	ChEMBL_1806341 (CHEMBL4305700)	Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured at 5 mins interval for 60 mins in presence of NAD+ by fluorescence assay
50004507	4	ChEMBL_1806338 (CHEMBL4305697)	Inhibition of recombinant human SIRT2 deacylation activity using Fluor de Lys Sirt2 as substrate measured at 5 mins interval for 30 mins in presence of NAD+ by fluorescence assay
50004507	5	ChEMBL_1806339 (CHEMBL4305698)	Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured at 5 mins interval for 60 mins in presence of NAD+ by fluorescence assay
50004507	6	ChEMBL_1806346 (CHEMBL4305705)	Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate measured after 3 hrs in presence of NAD+ and trypsin by fluorescence assay
50004507	7	ChEMBL_1806350 (CHEMBL4305709)	Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate measured after 3 hrs in presence of NAD+ and trypsin by fluorescence assay
50004507	8	ChEMBL_1806360 (CHEMBL4305719)	Inhibition of recombinant human N-terminal His6-tagged/SUMO-fused SIRT2 (38 to 356 residues) expressed in Escherichia coli BL21 using acetyl-H3K9 as substrate pre-incubated for 15 mins followed by substrate addition and measured after 5 mins by HPLC analysis
50004507	9	ChEMBL_1806362 (CHEMBL4305721)	Inhibition of recombinant human SIRT2 deacylation activity using fluorogenic p53 (Arg-His-Lys-Lys(Ac)) (379 to 382 residues) as substrate measured after 1 hr by fluorescence assay
50004507	10	ChEMBL_1806363 (CHEMBL4305722)	Inhibition of recombinant human SIRT2 deacylation activity expressed in Escherichia coli Rosetta2 using Fluor-de-Lys-SIRT2 deacetylase substrate measured after 2 hrs by fluorescence assay
50004507	11	ChEMBL_1806364 (CHEMBL4305723)	Inhibition of SIRT2 deacylation activity (unknown origin)
50004507	12	ChEMBL_1806366 (CHEMBL4305725)	Inhibition of recombinant human N-terminal polyhis-tagged SIRT6 (1 to 355 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured for 3460 sec in presence of NAD+ by fluorescence assay
50004507	13	ChEMBL_1806345 (CHEMBL4305704)	Inhibition of recombinant human N-terminal polyhis-tagged SIRT6 (1 to 355 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured at 5 mins interval for 60 mins in presence of NAD+ by fluorescence assay
50004566	1	ChEMBL_1806401 (CHEMBL4305760)	Binding affinity to wild type DNA-tagged human AAK1 (G25 to L333 residues) expressed in bacterial expression system by quantitative PCR based KINOMEscan assay
50004566	2	ChEMBL_1806397 (CHEMBL4305756)	Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic domain (1 to 510 amino acids) expressed in insect cells shaken for 30 secs and incubated for 1 hr by LanthaScreen Eu kinase binding assay
50004566	3	ChEMBL_1806412 (CHEMBL4305771)	Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in bacterial expression system using 5-FAM-Aha-KEEQSQITSQVTGQIGWR-NH2 as substrate after 3 hrs in presence of ATP by fluorescence method
50004566	4	ChEMBL_1806402 (CHEMBL4305761)	Binding affinity to biotinylated AAK1 (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay
50004566	5	ChEMBL_1806403 (CHEMBL4305762)	Binding affinity to biotinylated BMP2K (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay
50004566	6	ChEMBL_1806404 (CHEMBL4305763)	Binding affinity to biotinylated GAK (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay
50004566	7	ChEMBL_1806405 (CHEMBL4305764)	Binding affinity to biotinylated STK16 (unknown origin) incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based binding displacement assay
50005144	1	ChEMBL_1806421 (CHEMBL4305780)	Inhibition of PI3K delta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescence assay
50005144	2	ChEMBL_1806418 (CHEMBL4305777)	Inhibition of PI3K alpha (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescence assay
50005144	3	ChEMBL_1806419 (CHEMBL4305778)	Inhibition of PI3K beta (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescence assay
50005144	4	ChEMBL_1806420 (CHEMBL4305779)	Inhibition of PI3K gamma (unknown origin) using lipid substrate measured after 40 mins in presence of ATP by Kinase-Glo plus reagent based luminescence assay
50005560	1	ChEMBL_1806443 (CHEMBL4305802)	Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20 secs time interval for 90 mins by fluorescence assay
50005560	2	ChEMBL_1806442 (CHEMBL4305801)	Inhibition of C-terminal recombinant human ClpP expressed in Escherichia coli Rosetta2 (DE3) cells using Suc-Leu-Tyr-AMC as substrate incubated for 15 mins and measured for 90 mins by fluorescence assay
50005560	3	ChEMBL_1806441 (CHEMBL4305800)	Inhibition of C-terminal recombinant human ClpP (57 to 277 amino acids) expressed in Escherichia coli Rosetta2 cells using Suc-Leu-Tyr-AMC as substrate incubated for 1 hr and measured for 90 mins by fluorescence assay
50005791	1	ChEMBL_1806445 (CHEMBL4305804)	Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus expression system using eIF4E-binding protein 1 peptide and ATP as substrate incubated for 30 mins by LANCE ultra kinase assay
50005791	2	ChEMBL_1806446 (CHEMBL4305805)	Inhibition of recombinant human full length N-terminal GST-tagged CDK6 (1 to 326 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus expression system using eIF4E-binding protein 1 peptide and ATP as substrate incubated for 30 mins by LANCE ultra kinase assay
50005791	3	ChEMBL_1806447 (CHEMBL4305806)	Inhibition of recombinant human full length N-terminal GST-tagged CDK2 (1 to 298 residues)/cyclin A2 (1 to 432 residues) expressed in baculovirus expression system using eIF4E-binding protein 1 peptide and ATP as substrate incubated for 30 mins by LANCE ultra kinase assay
50005791	4	ChEMBL_1806480 (CHEMBL4305839)	Inhibition of CHK2 (unknown origin)
50005791	5	ChEMBL_1806454 (CHEMBL4305813)	Inhibition of CDK1/cyclin B (unknown origin)
50005791	6	ChEMBL_1806463 (CHEMBL4305822)	Inhibition of JAK2 (unknown origin)
50005791	7	ChEMBL_1806472 (CHEMBL4305831)	Inhibition of PIM2 (unknown origin)
50005791	8	ChEMBL_1806453 (CHEMBL4305812)	Inhibition of CDK2/cyclin E1 (unknown origin)
50005791	9	ChEMBL_1806455 (CHEMBL4305814)	Inhibition of CDK5/p25 (unknown origin)
50005791	10	ChEMBL_1806456 (CHEMBL4305815)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin)
50005791	11	ChEMBL_1806458 (CHEMBL4305817)	Inhibition of EGFR (unknown origin)
50005791	12	ChEMBL_1806459 (CHEMBL4305818)	Inhibition of PDGFRalpha (unknown origin)
50005791	13	ChEMBL_1806461 (CHEMBL4305820)	Inhibition of SRC (unknown origin)
50005791	14	ChEMBL_1806464 (CHEMBL4305823)	Inhibition of KDR (unknown origin)
50005791	15	ChEMBL_1806465 (CHEMBL4305824)	Inhibition of JNK1 (unknown origin)
50005791	16	ChEMBL_1806467 (CHEMBL4305826)	Inhibition of AURB (unknown origin)
50005791	17	ChEMBL_1806468 (CHEMBL4305827)	Inhibition of JNK2 (unknown origin)
50005791	18	ChEMBL_1806469 (CHEMBL4305828)	Inhibition of JNK3 (unknown origin)
50005791	19	ChEMBL_1806471 (CHEMBL4305830)	Inhibition of BRAF (unknown origin)
50005791	20	ChEMBL_1806473 (CHEMBL4305832)	Inhibition of TRK-A (unknown origin)
50005791	21	ChEMBL_1806476 (CHEMBL4305835)	Inhibition of MAPKAPK2 (unknown origin)
50005791	22	ChEMBL_1806477 (CHEMBL4305836)	Inhibition of FGFR1 (unknown origin)
50005791	23	ChEMBL_1806478 (CHEMBL4305837)	Inhibition of AMPKa1 (unknown origin)
50005791	24	ChEMBL_1806462 (CHEMBL4305821)	Inhibition of JAK1 (unknown origin)
50005791	25	ChEMBL_1806475 (CHEMBL4305834)	Inhibition of AKT1 (unknown origin)
50005791	26	ChEMBL_1806457 (CHEMBL4305816)	Inhibition of CDK9/cyclinT1 (unknown origin)
50005791	27	ChEMBL_1806460 (CHEMBL4305819)	Inhibition of PDGFRbeta (unknown origin)
50005791	28	ChEMBL_1806466 (CHEMBL4305825)	Inhibition of AURA (unknown origin)
50005791	29	ChEMBL_1806470 (CHEMBL4305829)	Inhibition of cRAF (unknown origin)
50005791	30	ChEMBL_1806474 (CHEMBL4305833)	Inhibition of ERK1 (unknown origin)
50005791	31	ChEMBL_1806479 (CHEMBL4305838)	Inhibition of CHK1 (unknown origin)
50005791	32	ChEMBL_1806513 (CHEMBL4305872)	Inhibition of human ERG expressed in CHO cells at - 80 mV holding potential by Q-patch clamp electrophysiology assay
50006290	1	ChEMBL_1806546 (CHEMBL4305905)	Inhibition of RIP1 in human U937 cells assessed as reduction in necroptosis incubated for 24 hrs by cell titer-glo luminescent cell viability assay
50006290	2	ChEMBL_1806554 (CHEMBL4305913)	Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta cytokine overproduction measured at 21 hrs post stimulation by sandwich ELISA
50006290	3	ChEMBL_1806553 (CHEMBL4305912)	Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated necroptosis by measuring LDH release measured at 21 hrs post stimulation by LDH assay
50006290	4	ChEMBL_1806545 (CHEMBL4305904)	Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated with enzyme for 1 hr followed by ATP addition and measured after 5 hrs by ADP-Glo kinase assay
50006290	5	ChEMBL_1807414 (CHEMBL4306773)	Inhibition of RIP1 in mouse L929 cells assessed as reduction in necroptosis incubated for 24 hrs by cell titer-glo luminescent cell viability assay
50006290	6	ChEMBL_1807411 (CHEMBL4306770)	Inhibition of RIP1 in human whole blood assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta cytokine overproduction incubated for 6 hrs by sandwich ELISA
50006290	7	ChEMBL_1807409 (CHEMBL4306768)	Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated MIP-1 beta mRNA overexpression measured at 21 hrs post-stimulation
50006290	8	ChEMBL_1806552 (CHEMBL4305911)	Inhibition of RIP1 in human neutrophils assessed as inhibition of TNF-alpha/QVD-Oph/RMT5265-stimulated necroptosis by measuring cellular ATP levels measured at 21 hrs post stimulation by cell-Titer Glo luminescent cell viability assay
50006325	1	ChEMBL_1807430 (CHEMBL4306789)	Binding affinity to beta1 adrenergic receptor (unknown origin) by radioligand binding assay
50006325	2	ChEMBL_1807426 (CHEMBL4306785)	Inhibition of recombinant human full length soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50006325	3	ChEMBL_1807431 (CHEMBL4306790)	Binding affinity to beta2 adrenergic receptor (unknown origin) by radioligand binding assay
50006675	1	ChEMBL_1807433 (CHEMBL4306792)	Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectrophotometric analysis
50006675	2	ChEMBL_1807436 (CHEMBL4306795)	Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 12 mins by spectrophotometric analysis
50006675	3	ChEMBL_1807435 (CHEMBL4306794)	Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presence of Triton X-100 by spectrophotometric analysis
50006675	4	ChEMBL_1807438 (CHEMBL4306797)	Inhibition of alpha-chymotrypsin in bovine pancreas using SPpNA as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 12 mins in presence of Triton X-100 by spectrophotometric analysis
50006675	5	ChEMBL_1807448 (CHEMBL4306807)	Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presence of 1 mM DTT by spectrophotometric analysis
50006676	1	ChEMBL_1807451 (CHEMBL4306810)	Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as as increase in acteylcholine-induced cAMP accumulation incubated for 7 mins in presence of isoproterenol/acetylcholine by Glosensor cAMP reagent/plate reader based luminescence assay
50006676	2	ChEMBL_1807450 (CHEMBL4306809)	Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isoproterenol-induced cAMP accumulation incubated for 7 mins in presence of isoproterenol by Glosensor cAMP reagent/plate reader based luminescence assay
50006676	3	ChEMBL_1807452 (CHEMBL4306811)	Agonist activity at human Muscarinic acetylcholine receptor M2 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isoproterenol-induced cAMP accumulation incubated for 7 mins in presence of isoproterenol by Glosensor cAMP reagent/plate reader based luminescence assay
50006678	1	ChEMBL_1807457 (CHEMBL4306816)	Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter
50006678	2	ChEMBL_1807466 (CHEMBL4306825)	Antagonist activity at NSTR1 (unknown origin) assessed as inhibitory constant
50006680	1	ChEMBL_1807467 (CHEMBL4306826)	Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL-17A secretion incubated for 4 days by HTRF assay
50006680	2	ChEMBL_1807487 (CHEMBL4306846)	Displacement of tritiated 2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from human N-(HN)6-GST-TCS-RORC LBD (258 to 518 residues) incubated for 16 hrs by scintillation proximity competition binding assay
50006680	3	ChEMBL_1807495 (CHEMBL4306854)	Inverse agonist activity at human biotinylated HN-Avi-MBPS-TCS-RORC2 (258 to 518 residues) assessed as recruitment of SRC-1-derived coactivator measured after 15 mins by FRET assay
50006680	4	ChEMBL_1807486 (CHEMBL4306845)	Displacement of tritiated 2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from mouse HN-AVI-GST-TCS-RORC (256 to 516 residues) incubated for 8 to 20 hrs by scintillation proximity competition binding assay
50006680	5	ChEMBL_1807488 (CHEMBL4306847)	Agonist activity at human His6-tcs-RORalpha LBD assessed as PGC1alpha peptide (130 to 154 residues) recruitment incubated for 1 hr by FRET assay
50006681	1	ChEMBL_1807501 (CHEMBL4306860)	Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins by MTase Glo reagent based luminescence assay
50006681	2	ChEMBL_1807511 (CHEMBL4306870)	Irreversible inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 5 mins followed by substrate addition and measured after 60 mins by MTase Glo reagent based luminescence assay
50006682	1	ChEMBL_1807616 (CHEMBL4306975)	Binding affinity to wild-type human full length NNMT expressed in Escherichia coli BL21(DE3)-codonplus-RIL cells by isothermal titration calorimetry
50006682	2	ChEMBL_1807605 (CHEMBL4306964)	Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation pre-incubated for 10 mins followed by AdoMet and nicotinamide addition measured after 30 mins by UHP-HILIC/Q-TOF-MS analysis
50006684	1	ChEMBL_1807623 (CHEMBL4306982)	Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NF-kappaB activation incubated for 1 hr followed by CL075-stimulation and measured after 24 hrs by quanti-blue SEAP assay
50006685	1	ChEMBL_1807646 (CHEMBL4307005)	Inhibition of Akt1 (unknown origin) expressed in Escherichia coli using peptide as substrate incubated for 1 hr by HTRF assay
50006685	2	ChEMBL_1807647 (CHEMBL4307006)	Inhibition of Akt1 (unknown origin)
50006687	1	ChEMBL_1807691 (CHEMBL4307050)	Inhibition of VEGFR2 (unknown origin)
50006687	2	ChEMBL_1807692 (CHEMBL4307051)	Inhibition of VEGFR1 (unknown origin)
50006687	3	ChEMBL_1807693 (CHEMBL4307052)	Inhibition of VEGFR3 (unknown origin)
50006687	4	ChEMBL_1807705 (CHEMBL4307064)	Inhibition of human EGFR by ELISA
50006689	1	ChEMBL_1807706 (CHEMBL4307065)	Inhibition of recombinant human ICMT expressed in baculovirus infected Sf9 insect cells using SAM as substrate preincubated for 30 mins followed by substrate addition and measured after 90 mins by MTase-Glo assay
50006690	1	ChEMBL_1807709 (CHEMBL4307068)	Inhibition of human recombinant PRMT5/MEP50 expressed in baculovirus infected High-five cells using histone 4 peptide as substrate in presence of [3H]SAM preincubated for 20 mins followed by [3H]SAM addition and measured after 30 mins by scintillation counting method
50006690	2	ChEMBL_1807715 (CHEMBL4307074)	Inhibition of PRMT5 in human Granta-519 assessed as reduction in sDMA production incubated for 3 days by Western blotting analysis
50006690	3	ChEMBL_1807717 (CHEMBL4307076)	Inhibition of PRMT1 (unknown origin) by hotspot assay
50006690	4	ChEMBL_1807714 (CHEMBL4307073)	Binding affinity to human recombinant PRMT5/MEP50 expressed in baculovirus infected High-five cells using histone 4 peptide as substrate assessed as inhibitory constant in presence of [3H]SAM measured upto 120 mins by jump dilution experiment based assay
50006691	3	ChEMBL_1807729 (CHEMBL4307088)	Inhibition of CYP19 (unknown origin)
50006692	1	ChEMBL_1807750 (CHEMBL4307109)	Activation of ED-tagged Nrf2 in human U2OS cells co-expressing Keap1 assessed as induction of NRF2 translocation to nucleus after 6 hrs by beta-galactosidase based chemiluminescent assay
50006693	1	ChEMBL_1807806 (CHEMBL4307165)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins followed by substrate addition further incubated for 10 mins by LC-MS/MS analysis
50006693	2	ChEMBL_1807787 (CHEMBL4307146)	Agonist activity at PPARgamma (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assay
50006693	3	ChEMBL_1807785 (CHEMBL4307144)	Agonist activity at PPARalpha (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assay
50006693	4	ChEMBL_1807830 (CHEMBL4307189)	Binding affinity to human recombinant GST-tagged FXR LBD (193-472 residues) expressed in baculovirus infected insect cells incubated for 1 hr by luminometry
50006693	5	ChEMBL_1807808 (CHEMBL4307167)	Inhibition of human ERG expressed in CHO-K1 cells by whole-cell patch clamp assay
50006693	6	ChEMBL_1807807 (CHEMBL4307166)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins followed by substrate addition further incubated for 10 mins by LC-MS/MS analysis
50006693	7	ChEMBL_1807804 (CHEMBL4307163)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins followed by substrate addition further incubated for 10 mins by LC-MS/MS analysis
50006693	8	ChEMBL_1807803 (CHEMBL4307162)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins followed by substrate addition further incubated for 10 mins by LC-MS/MS analysis
50006693	9	ChEMBL_1807786 (CHEMBL4307145)	Agonist activity at PPARbeta (unknown origin) incubated for 3 to 16 hrs by pathhunter nuclear hormone receptor assay
50006693	10	ChEMBL_1807805 (CHEMBL4307164)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins followed by substrate addition further incubated for 10 mins by LC-MS/MS analysis
50006694	1	ChEMBL_1807838 (CHEMBL4307197)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method
50006694	2	ChEMBL_1807839 (CHEMBL4307198)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes in the presence of sigma1 receptor ligand (+)-pentazocine incubated for 120 mins by scintillation counting method
50006694	3	ChEMBL_1807837 (CHEMBL4307196)	Displacement of [3H]ifenprodil from GluN1a/GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes after 120 mins by solid scintillation counting method
50006695	1	ChEMBL_1807944 (CHEMBL4307303)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by spectrophotometry analysis
50006695	2	ChEMBL_1807953 (CHEMBL4307312)	Inhibition of human recombinant AChE using acetylthiocholine chloride as substrate incubated for 5 mins
50006695	3	ChEMBL_1807943 (CHEMBL4307302)	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by spectrophotometry analysis
50006695	4	ChEMBL_1807946 (CHEMBL4307305)	Inhibition of recombinant GluN1/GluN2B receptor (unknown origin) expressed in HEK293 cells by patch-clamp method
50006698	1	ChEMBL_1807956 (CHEMBL4307315)	Inhibition of NS5A in HCV genotype 1b assessed as decrease in viral replication
50006699	1	ChEMBL_1807962 (CHEMBL4307321)	Inhibition of HDAC2 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	2	ChEMBL_1807964 (CHEMBL4307323)	Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	3	ChEMBL_1807971 (CHEMBL4307330)	Inhibition of HDAC11 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	4	ChEMBL_1807968 (CHEMBL4307327)	Inhibition of HDAC8 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	5	ChEMBL_1807966 (CHEMBL4307325)	Inhibition of HDAC5 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	6	ChEMBL_1807970 (CHEMBL4307329)	Inhibition of HDAC10 (unknown origin) using Ac-ArgThr- Lys(Ac)Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	7	ChEMBL_1807969 (CHEMBL4307328)	Inhibition of HDAC9 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	8	ChEMBL_1807967 (CHEMBL4307326)	Inhibition of HDAC7 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	9	ChEMBL_1807965 (CHEMBL4307324)	Inhibition of HDAC4 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	10	ChEMBL_1807961 (CHEMBL4307320)	Inhibition of HDAC3 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006699	11	ChEMBL_1807963 (CHEMBL4307322)	Inhibition of HDAC1 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50006703	1	ChEMBL_1808007 (CHEMBL4307366)	Inhibition of DGAT1 in mouse C2C12 cells assessed as reduction in intracellular triglyceride production incubated for 2 hrs in presence of BSA-complexed oleate by LC/MS/MS analysis
50006703	2	ChEMBL_1807990 (CHEMBL4307349)	Inhibition of recombinant human his-tagged DGAT1 expressed in Sf9 insect cells using oleoyl-CoA and diolein as substrates incubated for 30 mins by LC/MS/MS analysis
50006704	1	ChEMBL_1808110 (CHEMBL4307469)	Inhibition of BACE2 (unknown origin)
50006704	2	ChEMBL_1808111 (CHEMBL4307470)	Inhibition of human ERG
50006704	3	ChEMBL_1808109 (CHEMBL4307468)	Inhibition of BACE1 in human SKNBE2 cells expressing wild type amyloid precursor protein (APP695) assessed as amyloid beta42 level incubated for 18 hrs by sandwich ELISA
50006704	4	ChEMBL_1808108 (CHEMBL4307467)	Inhibition of BACE1 (unknown origin)
50006705	1	ChEMBL_1808124 (CHEMBL4307483)	Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flow CO2 hydrase assay
50006705	2	ChEMBL_1808125 (CHEMBL4307484)	Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flow CO2 hydrase assay
50006705	3	ChEMBL_1808122 (CHEMBL4307481)	Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flow CO2 hydrase assay
50006705	4	ChEMBL_1808123 (CHEMBL4307482)	Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flow CO2 hydrase assay
50006705	5	ChEMBL_1808126 (CHEMBL4307485)	Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flow CO2 hydrase assay
50006707	1	ChEMBL_1808131 (CHEMBL4307490)	Inhibition of recombinant human DPPI using H-Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence plate reader analysis
50006707	2	ChEMBL_1808130 (CHEMBL4307489)	Inhibition of recombinant human DPPI using H-Gly-Arg-AFC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence plate reader analysis
50006709	1	ChEMBL_1808132 (CHEMBL4307491)	Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye based FLIPR assay
50006709	2	ChEMBL_1808133 (CHEMBL4307492)	Inhibition of rat TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye based FLIPR assay
50006711	1	ChEMBL_1808142 (CHEMBL4307501)	Inhibition of purified human proteinase 3 using MeOSuc-AAPV-MCA as substrate by fluorescence based assay
50006711	2	ChEMBL_1808143 (CHEMBL4307502)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate by fluorescence based assay
50006711	3	ChEMBL_1808147 (CHEMBL4307506)	Inhibition of human chymotrypsin using Suc-AAPF-MCA as substrate by fluorescence based assay
50006711	4	ChEMBL_1808145 (CHEMBL4307504)	Inhibition of recombinant human chymase expressed in Pichia pastoris using NleTDY-pNA as substrate by fluorescence based assay
50006711	5	ChEMBL_1808146 (CHEMBL4307505)	Inhibition of recombinant human alpha thrombin using Boc-VPR-MCA as substrate by fluorescence based assay
50006711	6	ChEMBL_1808150 (CHEMBL4307509)	Inhibition of recombinant human trypsin using Boc-VPR-MCA as substrate by fluorescence based assay
50006711	7	ChEMBL_1808144 (CHEMBL4307503)	Inhibition of human Cathepsin G using Suc-AAPF-MCA as substrate by fluorescence based assay
50006711	8	ChEMBL_1808151 (CHEMBL4307510)	Inhibition of bovine beta-trypsin using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition and measured for 60 mins by colorimetric method
50006712	1	ChEMBL_1808183 (CHEMBL4307542)	Inhibition of recombinant human GST tagged GGPPs expressed in Escherichia coli BL21 gold cells using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by scintillation counting method
50006712	2	ChEMBL_1808184 (CHEMBL4307543)	Inhibition of GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by scintillation counting method
50006712	3	ChEMBL_1808185 (CHEMBL4307544)	Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by scintillation counting method
50006713	1	ChEMBL_1808225 (CHEMBL4307584)	Inhibition of EGFR (unknown origin)
50006713	2	ChEMBL_1808197 (CHEMBL4307556)	Inhibition of EGFR (unknown origin) using TK substrate incubated for 60 mins by FRET assay
50006713	3	ChEMBL_1808198 (CHEMBL4307557)	Inhibition of VEGFR2 (unknown origin) using TK substrate incubated for 60 mins by FRET assay
50006713	4	ChEMBL_1808199 (CHEMBL4307558)	Inhibition of PDGFRbeta (unknown origin) using TK substrate incubated for 60 mins by FRET assay
50006713	5	ChEMBL_1808226 (CHEMBL4307585)	Inhibition of VEGFR2 (unknown origin)
50006714	1	ChEMBL_1808227 (CHEMBL4307586)	Binding affinity to HSP90 CTD (unknown origin) by circular dichroism spectroscopy
50006715	1	ChEMBL_1808256 (CHEMBL4307615)	Inhibition of electric eel AChE by Ellman's colorimetry
50006717	1	ChEMBL_1808268 (CHEMBL4307627)	Inhibition of Salmonella typhimurium IspF by malachite green dye based assay
50006720	1	ChEMBL_1808270 (CHEMBL4307629)	Inhibition of gamma secretase in human H4 cells over expressing human APP695 harboring K595N/M596L Swedish double mutant assessed as reduction in Abeta42 production level after 24 hrs by Alphalisa assay
50006721	1	ChEMBL_1808271 (CHEMBL4307630)	Inhibition of KEAP1 interaction with Nrf2 in human HEK293 cells transfected with ARE-LUC assessed as activation of Nrf2 signaling pathway measured after 18 hrs by steady-Glo luciferase assay
50006722	1	ChEMBL_1808272 (CHEMBL4307631)	Inhibition of N-terminal GST-tagged human IRAK4 (2 to end residues) expressed in baculovirus infected Sf9 cells using Ser/Thr 7 peptide as substrate in presence of ATP after 1 hr by Z'-LYTE assay
50006723	1	ChEMBL_1808276 (CHEMBL4307635)	Inhibition of NIK (unknown origin) using ATP as substrate by transcreener ADP assay based fluorescence correlation spectroscopic analysis
50006723	2	ChEMBL_1808275 (CHEMBL4307634)	Inhibition of full length GST-tagged human PRKD1 expressed in Baculovirus expression system using ATP as substrate incubated for 1 to 2 hrs by transcreener ADP assay based fluorescence correlation spectroscopic analysis
50006724	1	ChEMBL_1808292 (CHEMBL4307651)	Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30 mins followed by substrate addition further incubated for 75 mins by fluorescence based assay
50006724	2	ChEMBL_1808294 (CHEMBL4307653)	Binding affinity to recombinant full length N-terminal His-tagged VRK1 (unknown origin) (1 to 396 residues) expressed in Escherichia coli BL 21 DE3-R3 cells assessed as dissociation constant at by isothermal titration method
50006724	3	ChEMBL_1808293 (CHEMBL4307652)	Binding affinity to recombinant N-terminal His-tagged VRK2 kinase domain (unknown origin) (14 to 335 residues) expressed in Escherichia coli BL 21 DE3-R3 cells assessed as dissociation constant at by isothermal titration method
50006725	1	ChEMBL_1808778 (CHEMBL4308137)	Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 60 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA
50006725	2	ChEMBL_1808779 (CHEMBL4308138)	Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 240 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA
50006725	3	ChEMBL_1808777 (CHEMBL4308136)	Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 15 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA
50006726	1	ChEMBL_1808798 (CHEMBL4308157)	Inhibition of full length recombinant FLAG/His-tagged C-terminal human HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL (Z-Lys(Ac)-AMC) as substrate incubated for 90 mins by fluorescence based assay
50006726	2	ChEMBL_1808799 (CHEMBL4308158)	Inhibition of full length recombinant GST-tagged N-terminal human HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL (Z-Lys(Ac)-AMC) as substrate incubated for 90 mins by fluorescence based assay
50006729	1	ChEMBL_1808810 (CHEMBL4308169)	Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction in Cd2+ influx preincubated for 5 mins followed by CdCl2 addition using 365 nm UV-light irradiated compound by calcium-5 fluorescence dye-based FLIPR assay
50006729	2	ChEMBL_1808807 (CHEMBL4308166)	Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction of Cd2+ influx preincubated for 5 mins followed by CdCl2 addition measured under dark state by calcium-5 fluorescence dye-based FLIPR assay
50006729	3	ChEMBL_1808816 (CHEMBL4308175)	Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction of Cd2+ influx preincubated for 5 mins followed by CdCl2 addition by calcium-5 fluorescence dye-based FLIPR assay
50006730	1	ChEMBL_1808820 (CHEMBL4308179)	Agonist activity at Gal4-LBD fused RXRalpha (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50006730	2	ChEMBL_1808821 (CHEMBL4308180)	Agonist activity at Gal4-LBD fused RXRbeta (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50006730	3	ChEMBL_1808822 (CHEMBL4308181)	Agonist activity at Gal4-LBD fused RXRgamma (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50006731	1	ChEMBL_1808889 (CHEMBL4308248)	Agonist activity at Gi-coupled mu opioid receptor (unknown origin) expressed in HEK293T cells assessed as inhibition of cAMP production at pH 6.5 measured after 15 mins by Glo-Sensor assay
50006731	2	ChEMBL_1808888 (CHEMBL4308247)	Agonist activity at Gi-coupled mu opioid receptor (unknown origin) expressed in HEK293T cells assessed as inhibition of cAMP production at pH 7.4 measured after 15 mins by Glo-Sensor assay
50006732	1	ChEMBL_1808893 (CHEMBL4308252)	Inhibition of human recombinant MAO-A expressed in insect cells microsomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry analysis
50006732	2	ChEMBL_1808894 (CHEMBL4308253)	Inhibition of human recombinant MAO-B expressed in insect cells microsomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry analysis
50006732	3	ChEMBL_1808896 (CHEMBL4308255)	Inhibition of MAO-B in mouse brain assessed as reduction in H2O2 production incubated for 30 mins using benzylamine as substrate by Amplex red reagent based fluorescence assay
50006733	1	ChEMBL_1808989 (CHEMBL4308348)	Displacement of [3H]LSD from full length human cloned 5HT6R expressed in HEK293 cells incubated for 1 hr by radioligand displacement assay
50006733	2	ChEMBL_1808986 (CHEMBL4308345)	Displacement of [3H]-8-OH-DPAT from full length human cloned 5HT1A receptor expressed in HEK293 cells incubated for 1 hr by radioligand displacement assay
50006733	3	ChEMBL_1808984 (CHEMBL4308343)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by radio ligand binding assay
50006733	4	ChEMBL_1808990 (CHEMBL4308349)	Displacement of [3H]5-CT from full length human cloned 5-HT7bR expressed in HEK293 cells incubated for 1 hr by radioligand displacement assay
50006733	5	ChEMBL_1808992 (CHEMBL4308351)	Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar rat brain frontal cortex incubated for 30 mins by radioligand binding assay
50006733	6	ChEMBL_1808987 (CHEMBL4308346)	Displacement of [3H]raclopride from full length human cloned D2L receptor expressed in HEK293 cells incubated for 1 hr by radioligand displacement assay
50006733	7	ChEMBL_1808988 (CHEMBL4308347)	Displacement of [3H]ketanserin from full length human cloned 5HT2A receptor expressed in CHO-K1 cells incubated for 1 hr by radioligand displacement assay
50006733	8	ChEMBL_1808983 (CHEMBL4308342)	Displacement of [3H]raclopride from D2 receptor in rat brain striatum incubated for 60 mins by radioligand binding assay
50006733	9	ChEMBL_1808982 (CHEMBL4308341)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus incubated for 60 mins by radioligand binding assay
50006733	10	ChEMBL_1808979 (CHEMBL4308338)	Displacement of [3H]raclopride from human cloned D2 receptor expressed in HEK293 cells by radioligand binding assay
50006733	11	ChEMBL_1808978 (CHEMBL4308337)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus by radioligand binding assay
50006733	12	ChEMBL_1808995 (CHEMBL4308354)	Agonist activity at human 5 HT1A receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by TR-FRET assay
50006733	13	ChEMBL_1808991 (CHEMBL4308350)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat brain cerebral cortex incubated for 30 mins by liquid scintillation spectrometry
50006733	14	ChEMBL_1808981 (CHEMBL4308340)	Binding affinity to 5HT1A receptor (unknown origin)
50006733	15	ChEMBL_1808985 (CHEMBL4308344)	Displacement of [3H]methylspiperone from human D2 receptor by radio ligand binding assay
50006733	16	ChEMBL_1808980 (CHEMBL4308339)	Displacement of [3H]methylspiperone from human D2 receptor expressed in HEK-GIRK-M4 cell membrane by radioligand binding assay
50006736	1	ChEMBL_1808996 (CHEMBL4308355)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition by fluorescence based analysis
50006736	2	ChEMBL_1808997 (CHEMBL4308356)	Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition by fluorescence based analysis
50006736	3	ChEMBL_1809002 (CHEMBL4308361)	Inhibition of Trypanosoma cruzi cruzain assessed as inhibitor constant using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition by fluorescence based analysis
50006743	1	ChEMBL_1809056 (CHEMBL4308415)	Inhibition of PDE3B (unknown origin)
50006743	2	ChEMBL_1809059 (CHEMBL4308418)	Inhibition of PDE11A (unknown origin)
50006743	3	ChEMBL_1809064 (CHEMBL4308423)	Inhibition of PDE4B in human U937 cells using [3H] cAMP as substrate incubated for 30 mins
50006743	4	ChEMBL_1809058 (CHEMBL4308417)	Inhibition of PDE4B in human PBMC assessed as inhibition in LPS-induced TNFalpha production preincubated for 30 mins followed by LPS stimulation for 18 hrs by TR-FRET analysis
50006743	5	ChEMBL_1809065 (CHEMBL4308424)	Inhibition of PDE4D in human U937 cells using [3H]cAMP as substrate incubated for 30 mins
50006743	6	ChEMBL_1809053 (CHEMBL4308412)	Inhibition of PDE5A (unknown origin)
50006743	7	ChEMBL_1809054 (CHEMBL4308413)	Inhibition of PDE6C (unknown origin)
50006743	8	ChEMBL_1809052 (CHEMBL4308411)	Inhibition of PDE7A (unknown origin)
50006743	9	ChEMBL_1809063 (CHEMBL4308422)	Inhibition of PDE8A1 (unknown origin)
50006743	10	ChEMBL_1809051 (CHEMBL4308410)	Inhibition of PDE9A2 (unknown origin)
50006743	11	ChEMBL_1809050 (CHEMBL4308409)	Inhibition of PDE10A2 (unknown origin)
50006743	12	ChEMBL_1809057 (CHEMBL4308416)	Inhibition of PDE1A (unknown origin)
50006743	13	ChEMBL_1809055 (CHEMBL4308414)	Inhibition of PDE2A (unknown origin)
50006744	1	ChEMBL_1809091 (CHEMBL4308450)	Inhibition of human full length TRKB expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay
50006744	2	ChEMBL_1809090 (CHEMBL4308449)	Inhibition of human full length TRKA expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay
50006744	3	ChEMBL_1809089 (CHEMBL4308448)	Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincubated with enzyme/ATP mixture for 20 mins followed by TK substrate-biotin addition followed by further incubation for 15 mins in presence of ATP by HTRF assay
50006744	4	ChEMBL_1809096 (CHEMBL4308455)	Inhibition of human inactive TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP measured every 5 minutes for 5 hrs by caliper method
50006744	5	ChEMBL_1809114 (CHEMBL4308473)	Inhibition of TrkA in rat PC12 cells assessed as reduction in beta-NGF-induced neurite outgrowth preincubated for 30 mins followed by beta-NGF stimulation incubated for 7 days by live cell imaging analysis
50006744	6	ChEMBL_1809094 (CHEMBL4308453)	Binding affinity to wild type human biotinylated and N-terminal DYKDDDDK-tagged TrkA kinase domain (436 to 790 residues) expressed in Sf21 cells assessed as equilibrium rate constant by single cycle kinetics analysis
50006744	7	ChEMBL_1809097 (CHEMBL4308456)	Inhibition of human active TRKA assessed as decrease in substrate phosphorylation incubated for 2 hrs using CSKtide as substrate in presence of ATP measured every 5 minutes for 5 hrs by caliper method
50006745	1	ChEMBL_1809165 (CHEMBL4308524)	Displacement of fluorescent ligand from human recombinant GST-tagged ER-alpha ligand binding domain (307 to 554 residues) incubated for 15 mins by TR-FRET based competitive assay
50006746	1	ChEMBL_1809173 (CHEMBL4308532)	Inhibition of P38alpha MAPK (unknown origin) by ELISA
50006746	2	ChEMBL_1809172 (CHEMBL4308531)	Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay
50006746	3	ChEMBL_1809171 (CHEMBL4308530)	Inhibition of GSK3beta (unknown origin) by ADP-Glo assay
50006747	1	ChEMBL_1809198 (CHEMBL4308557)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as conversion of arachidonic acid to 5-HPETE using arachidonic acid as substrate in presence of ATP by UV-vis spectrophotometry analysis
50006751	1	ChEMBL_1809217 (CHEMBL4308576)	Inhibition of human ERG
50006753	1	ChEMBL_1809282 (CHEMBL4308641)	Displacement of [3H]-Nisoxetine from human recombinant NET receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	2	ChEMBL_1809288 (CHEMBL4308647)	Displacement of [3H]-Pentazocine from human recombinant sigma2 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	3	ChEMBL_1809256 (CHEMBL4308615)	Displacement of [3H]-Prazosin from human recombinant adrenergic alpha1A receptor expressed in cells after 90 mins by microbeta scintillation counting method
50006753	4	ChEMBL_1809250 (CHEMBL4308609)	Displacement of [3H]-LSD from human recombinant 5-HT2B receptor stably expressed in HEK cells after 90 mins by microbeta scintillation counting method
50006753	5	ChEMBL_1809257 (CHEMBL4308616)	Displacement of [3H]-Prazosin from human recombinant adrenergic Alpha1B receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	6	ChEMBL_1809274 (CHEMBL4308633)	Displacement of [125I]-Iodoaminopotentidine from human recombinant histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	7	ChEMBL_1809247 (CHEMBL4308606)	Displacement of [3H]5-CT from human recombinant 5-HT1D receptor transiently expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	8	ChEMBL_1809263 (CHEMBL4308622)	Displacement of [3H]-CGP12177 from human recombinant adrenergic Beta2 receptor expressed in Flp-In HEK cells after 90 mins by microbeta scintillation counting method
50006753	9	ChEMBL_1809245 (CHEMBL4308604)	Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	10	ChEMBL_1809287 (CHEMBL4308646)	Displacement of [3H]-Pentazocine from human recombinant sigma1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	11	ChEMBL_1809264 (CHEMBL4308623)	Displacement of [3H]-CGP12177 from human recombinant adrenergic Beta3 receptor expressed in Flp-In HEK cells after 90 mins by microbeta scintillation counting method
50006753	12	ChEMBL_1809270 (CHEMBL4308629)	Displacement of [3H]-SCH23390 from human recombinant dopamine D5 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	13	ChEMBL_1809267 (CHEMBL4308626)	Displacement of [3H]-N-methylspiperone from human recombinant dopamine D2 receptor expressed in stable fibroblast cells after 90 mins by microbeta scintillation counting method
50006753	14	ChEMBL_1809266 (CHEMBL4308625)	Displacement of [3H]-SCH23390 from human recombinant dopamine D1 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	15	ChEMBL_1809262 (CHEMBL4308621)	Displacement of [125I]-pindolol from human recombinant adrenergic Beta1 receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting method
50006753	16	ChEMBL_1809261 (CHEMBL4308620)	Displacement of [3H]-Rauwolscine from human recombinant adrenergic Alpha2C receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation counting method
50006753	17	ChEMBL_1809258 (CHEMBL4308617)	Displacement of [3H]-Prazosin from human recombinant adrenergic Alpha1D receptor expressed in cells after 90 mins by microbeta scintillation counting method
50006753	18	ChEMBL_1809254 (CHEMBL4308613)	Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	19	ChEMBL_1809252 (CHEMBL4308611)	Displacement of [3H]-GR65630 from human recombinant 5-HT3 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	20	ChEMBL_1809248 (CHEMBL4308607)	Displacement of [3H]-HT from human recombinant 5-HT1E receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	21	ChEMBL_1809249 (CHEMBL4308608)	Displacement of [3H]-Ketanserin from human recombinant 5-HT2A receptor transiently expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	22	ChEMBL_1809255 (CHEMBL4308614)	Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	23	ChEMBL_1809259 (CHEMBL4308618)	Displacement of [3H]-Rauwolscine from human recombinant adrenergic Alpha2A receptor expressed in stable MDCK cells after 90 mins by microbeta scintillation counting method
50006753	24	ChEMBL_1809268 (CHEMBL4308627)	Displacement of [3H]-N-methylspiperone from human recombinant dopamine D3 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	25	ChEMBL_1809273 (CHEMBL4308632)	Displacement of [3H]-Pyrilamine from human recombinant histamine H1 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	26	ChEMBL_1809276 (CHEMBL4308635)	Displacement of [3H]-Histamine from human recombinant histamine H4 receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	27	ChEMBL_1809278 (CHEMBL4308637)	Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	28	ChEMBL_1809281 (CHEMBL4308640)	Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M5 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	29	ChEMBL_1809246 (CHEMBL4308605)	Displacement of [3H]5-CT from human recombinant 5-HT1B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	30	ChEMBL_1809260 (CHEMBL4308619)	Displacement of [3H]-Rauwolscine from human recombinant adrenergic Alpha2B receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	31	ChEMBL_1809269 (CHEMBL4308628)	Displacement of [3H]-methylspiperone from human recombinant dopamine D4 receptor expressed in Stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	32	ChEMBL_1809271 (CHEMBL4308630)	Displacement of [3H]-Win35428 from human recombinant DAT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	33	ChEMBL_1809277 (CHEMBL4308636)	Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M1 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	34	ChEMBL_1809285 (CHEMBL4308644)	Displacement of [3H]-DAMGO from human recombinant MOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	35	ChEMBL_1809251 (CHEMBL4308610)	Displacement of [3H]-Mesulergine from human recombinant 5-HT2C receptor expressed in HEKT cells after 90 mins by microbeta scintillation counting method
50006753	36	ChEMBL_1809253 (CHEMBL4308612)	Displacement of [3H]-LSD from human recombinant 5-HT5A receptor expressed in Flp-In CHO cells after 90 mins by microbeta scintillation counting method
50006753	37	ChEMBL_1809279 (CHEMBL4308638)	Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M3 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	38	ChEMBL_1809284 (CHEMBL4308643)	Displacement of [3H]-U69593 from human recombinant KOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	39	ChEMBL_1809280 (CHEMBL4308639)	Displacement of [3H]-QNB/[3H]-NMS from human recombinant Muscarinic acetylcholine M4 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50006753	40	ChEMBL_1809283 (CHEMBL4308642)	Displacement of [3H]-DADLE from human recombinant DOR receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50006753	41	ChEMBL_1809275 (CHEMBL4308634)	Displacement of [3H]-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in Flp-In HEK cells after 90 mins by microbeta scintillation counting method
50006754	1	ChEMBL_1809385 (CHEMBL4308744)	Displacement of Bio-JQ1 from recombinant human His6 tagged BRD4 bromodomain 1 by alphascreen assay
50006754	2	ChEMBL_1809384 (CHEMBL4308743)	Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assay
50006754	3	ChEMBL_1809389 (CHEMBL4308748)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by competitive phage display based BROMOscan assay
50006754	4	ChEMBL_1809388 (CHEMBL4308747)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by competitive phage display based BROMOscan assay
50006755	1	ChEMBL_1809400 (CHEMBL4308759)	Inhibition of His-tagged/GST-tagged CSK (unknown origin) incubated for 1 hr by TR-FRET assay
50006755	2	ChEMBL_1809399 (CHEMBL4308758)	Inhibition of His-tagged/GST-tagged LCK (unknown origin) incubated for 1 hr by TR-FRET assay
50006755	3	ChEMBL_1809401 (CHEMBL4308760)	Effect on ZAP70 phosphorylation in human Jurkat cells pre-incubated for 30 mins followed by anti-CD3/CD28 stimulation measured after 10 mins
50006755	4	ChEMBL_1809405 (CHEMBL4308764)	Inhibition of CSK (unknown origin) using fluorescent labeled peptide as substrate in presence of ATP at Km concentration by caliper method
50006756	1	ChEMBL_1809438 (CHEMBL4308797)	Induction of ERalpha degradation in human MCF7 cells assessed as downregulation of ER alpha receptor expression measured after 18 to 22 hrs by immunofluorescence assay
50006756	2	ChEMBL_1809437 (CHEMBL4308796)	Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus infected insect cells measured after 20 mins by TR-FRET Lanthascreen assay
50006756	3	ChEMBL_1809442 (CHEMBL4308801)	Inhibition of CYP3A4 (unknown origin)
50006756	4	ChEMBL_1809443 (CHEMBL4308802)	Inhibition of CYP2D6 (unknown origin)
50006756	5	ChEMBL_1809445 (CHEMBL4308804)	Inhibition of CYP2C19 (unknown origin)
50006756	6	ChEMBL_1809444 (CHEMBL4308803)	Inhibition of CYP2C9 (unknown origin)
50006756	7	ChEMBL_1809446 (CHEMBL4308805)	Inhibition of CYP1A2 (unknown origin)
50006758	1	ChEMBL_1809450 (CHEMBL4308809)	Transactivation of chimeric GAL4-fused human PPARgamma transfected in HEK293EBNA cells measured at 24 hrs after drug treatment by steady-Glo luciferase assay reagent based luminescence assay
50006758	2	ChEMBL_1809453 (CHEMBL4308812)	Agonist activity at PPARgamma in human MKN45 cells assessed as induction of cell aggregation incubated for 5 days by Hoechst 33342 staining based IN cell analyzer method
50006761	1	ChEMBL_1809522 (CHEMBL4308982)	Inhibition of wild type GST-tagged ULK1 (unknown origin) after 5 mins in presence of gamma-[32]P-ATP by immunoblot analysis
50006761	2	ChEMBL_1809513 (CHEMBL4308973)	Inhibition of mTORC2 in HEK293 cells using GST-tagged S6K1 or Akt1 as substrate after 30 mins by immunoblotting assay
50006761	3	ChEMBL_1809504 (CHEMBL4308964)	Inhibition of mTORC2 (unknown origin)
50006761	4	ChEMBL_1809488 (CHEMBL4308948)	Inhibition of mTORC1 (unknown origin) expressed in HEK293T cells after 15 mins in presence of gamma-[32]P-ATP by high-throughput screening assay
50006761	5	ChEMBL_1809523 (CHEMBL4308983)	Inhibition of Vps34 (unknown origin)
50006761	6	ChEMBL_1809495 (CHEMBL4308955)	Inhibition of PI3K p110alpha (unknown origin)
50006761	7	ChEMBL_1809492 (CHEMBL4308952)	Inhibition of wild type human PI3K p110gamma using PIP2 as substrate by TR-FRET assay
50006761	8	ChEMBL_1809531 (CHEMBL4308991)	Inhibition of ATG4B (unknown origin) using GST-labelled LC3B as substrate after 24 hrs by coomassie blue staining-based SDS-PAGE analysis
50006761	9	ChEMBL_1809528 (CHEMBL4308988)	Inhibition of Vps34 (unknown origin) after 60 mins by ADP-Glo assay
50006761	10	ChEMBL_1809527 (CHEMBL4308987)	Inhibition of Vps34 in human HeLa cells expressing GFP-FYVE
50006761	12	ChEMBL_1809524 (CHEMBL4308984)	Inhibition of ULK2 (unknown origin) after 5 mins in presence of gamma-[32]P-ATP by immunoblot analysis
50006761	13	ChEMBL_1809521 (CHEMBL4308981)	Inhibition of ULK1 (unknown origin) using MBP as substrate after 60 mins by ADP-Glo assay
50006761	14	ChEMBL_1809520 (CHEMBL4308980)	Inhibition of ULK2 (unknown origin)
50006761	15	ChEMBL_1809519 (CHEMBL4308979)	Inhibition of FLAG-tagged ULK1 (unknown origin) expressed in HEK293T cells using GST-labelled Atg101 as substrate in presence of gamma-[32]P-ATP
50006761	16	ChEMBL_1809516 (CHEMBL4308976)	Activation of recombinant human AMPK alpha1/beta1/gamma1 (unknown origin) using SAMS peptide as substrate preincubated for 20 mins followed by substrate and gamma-[32]P-ATP addition and measured after 30 mins by liquid scintillation counting method
50006761	17	ChEMBL_1809515 (CHEMBL4308975)	Activation of recombinant human AMPK alpha1/beta1/gamma1expressed in Escherichia coli BL21-codon plus(DE3)-RIL using SAMS peptide as substrate after 10 mins in presence of gamma-[33]P-ATP by liquid scintillation counting method
50006761	18	ChEMBL_1809511 (CHEMBL4308971)	Inhibition of DNAPK in human HCT116 cells assessed as after 1 hr by Western blot analysis
50006761	19	ChEMBL_1809509 (CHEMBL4308969)	Inhibition of ATM in human HCT116 cells assessed as after 1 hr by Western blot analysis
50006761	20	ChEMBL_1809507 (CHEMBL4308967)	Inhibition of mTORC1 in human HCT116 cells assessed as reduction in T389 phosphorylation on RPS6KB1 after 1 hr by Western blot analysis
50006761	21	ChEMBL_1809506 (CHEMBL4308966)	Inhibition of N-terminally FLAG-tagged mTORC2 (unknown origin) expressed in human HeLa cells using S6K1 or Akt1 as substrate after 20 mins by immunoblotting assay
50006761	22	ChEMBL_1809505 (CHEMBL4308965)	Inhibition of N-terminally FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells using S6K1 or Akt1 as substrate after 20 mins by immunoblotting assay
50006761	23	ChEMBL_1809503 (CHEMBL4308963)	Inhibition of mTORC1 (unknown origin)
50006761	24	ChEMBL_1809498 (CHEMBL4308958)	Inhibition of PI3K p110delta (unknown origin)
50006761	25	ChEMBL_1809497 (CHEMBL4308957)	Inhibition of PI3K p110gamma (unknown origin)
50006761	26	ChEMBL_1809496 (CHEMBL4308956)	Inhibition of PI3K p110beta (unknown origin)
50006761	27	ChEMBL_1809494 (CHEMBL4308954)	Inhibition of mTOR (unknown origin)
50006761	28	ChEMBL_1809491 (CHEMBL4308951)	Inhibition of wild type human PI3K p110beta using PIP2 as substrate by TR-FRET assay
50006761	29	ChEMBL_1809493 (CHEMBL4308953)	Inhibition of wild type human PI3K p110delta using PIP2 as substrate by TR-FRET assay
50006761	30	ChEMBL_1809512 (CHEMBL4308972)	Inhibition of mTORC1 in HEK293 cells using GST-tagged S6K1 or Akt1 as substrate after 30 mins by immunoblotting assay
50006761	31	ChEMBL_1809529 (CHEMBL4308989)	Inhibition of PI3K delta (unknown origin) after 60 mins by ADP-Glo assay
50006761	32	ChEMBL_1809489 (CHEMBL4308949)	Inhibition of recombinant mTORC2 (unknown origin) expressed in Escherichia coli after 15 mins in presence of gamma-[32]P-ATP by high-throughput screening assay
50006761	33	ChEMBL_1809490 (CHEMBL4308950)	Inhibition of wild type human PI3K p110alpha using PIP2 as substrate by TR-FRET assay
50006761	34	ChEMBL_1809510 (CHEMBL4308970)	Inhibition of ATR in human HCT116 cells assessed as after 1 hr by Western blot analysis
50006762	1	ChEMBL_1809543 (CHEMBL4309003)	Negative allosteric modulation of GluN2A receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced channel current by two electrode voltage clamp method
50006762	2	ChEMBL_1809541 (CHEMBL4309001)	Negative allosteric modulation of human GluN2D receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
50006762	3	ChEMBL_1809540 (CHEMBL4309000)	Negative allosteric modulation of human GluN2C receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
50006762	4	ChEMBL_1809549 (CHEMBL4309009)	Positive allosteric modulation of GluN2A receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	5	ChEMBL_1809567 (CHEMBL4309027)	Negative allosteric modulation of GluN1a/GluN2C receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glutamate/glycine-induced channel current at -60 mV holding potential by two electrode voltage clamp method
50006762	6	ChEMBL_1809546 (CHEMBL4309006)	Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced channel current by two electrode voltage clamp method
50006762	7	ChEMBL_1809544 (CHEMBL4309004)	Negative allosteric modulation of GluN2B receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced channel current by two electrode voltage clamp method
50006762	8	ChEMBL_1809550 (CHEMBL4309010)	Positive allosteric modulation of GluN2B receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	9	ChEMBL_1809551 (CHEMBL4309011)	Positive allosteric modulation of GluN2C receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	10	ChEMBL_1809545 (CHEMBL4309005)	Positive allosteric modulation of GluN2A receptor (unknown origin) expressed in HEK cell assessed as increase in glycine-induced calcium influx
50006762	11	ChEMBL_1809548 (CHEMBL4309008)	Positive allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	12	ChEMBL_1809547 (CHEMBL4309007)	Negative allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced channel current by two electrode voltage clamp method
50006762	13	ChEMBL_1809568 (CHEMBL4309028)	Negative allosteric modulation of GluN1a/GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glutamate/glycine-induced channel current at -60 mV holding potential by two electrode voltage clamp method
50006762	14	ChEMBL_1809565 (CHEMBL4309025)	Negative allosteric modulation of GluN1a/GluN2A receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glutamate/glycine-induced channel current at -60 mV holding potential by two electrode voltage clamp method
50006762	15	ChEMBL_1809538 (CHEMBL4308998)	Negative allosteric modulation of human GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
50006762	16	ChEMBL_1809542 (CHEMBL4309002)	Negative allosteric modulation of human GluN2A receptor expressed in HEK cells assessed as reduction in 3 uM glycine/glutamate-induced intracellular calcium flux preincubated for 10 mins followed by glycine/glutamate addition and measured for 3 mins by Fluo-8-AM dye based fluorescence assay
50006762	17	ChEMBL_1809539 (CHEMBL4308999)	Negative allosteric modulation of human GluN2B receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method
50006762	18	ChEMBL_1809535 (CHEMBL4308995)	Negative allosteric modulation of human GluN2B receptor expressed in HEK cells assessed as reduction in glycine/glutamate-induced intracellular calcium flux preincubated for 5 mins followed by glycine/glutamate addition by Fluo-4-AM dye based FLIPR assay
50006762	19	ChEMBL_1809556 (CHEMBL4309016)	Positive allosteric modulation of GluN2B receptor in rat spinal cord neurons assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	20	ChEMBL_1809557 (CHEMBL4309017)	Positive allosteric modulation of GluN2B receptor (unknown origin) in hippocampal neurons assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	21	ChEMBL_1809552 (CHEMBL4309012)	Positive allosteric modulation of EGFP-fused human GluN2A receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	22	ChEMBL_1809554 (CHEMBL4309014)	Positive allosteric modulation of EGFP-fused human GluN2C receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	23	ChEMBL_1809555 (CHEMBL4309015)	Positive allosteric modulation of EGFP-fused human GluN2D receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	24	ChEMBL_1809537 (CHEMBL4308997)	Negative allosteric modulation of human GluN1/GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current by two electrode voltage clamp method
50006762	25	ChEMBL_1809536 (CHEMBL4308996)	Negative allosteric modulation of human GluN2D receptor expressed in HEK cells assessed as reduction in glycine/glutamate-induced intracellular calcium flux preincubated for 5 mins followed by glycine/glutamate addition by Fluo-4-AM dye based FLIPR assay
50006762	26	ChEMBL_1809553 (CHEMBL4309013)	Positive allosteric modulation of EGFP-fused human GluN2B receptor expressed in HEK293T cells assessed as increase in glycine-induced channel current by two electrode voltage clamp method
50006762	27	ChEMBL_1809534 (CHEMBL4308994)	Negative allosteric modulation of human GluN2A receptor expressed in HEK cells assessed as reduction in glycine/glutamate-induced intracellular calcium flux preincubated for 5 mins followed by glycine/glutamate addition by Fluo-4-AM dye based FLIPR assay
50006762	28	ChEMBL_1809566 (CHEMBL4309026)	Negative allosteric modulation of GluN1a/GluN2B receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glutamate/glycine-induced channel current at -60 mV holding potential by two electrode voltage clamp method
50006764	1	ChEMBL_1809572 (CHEMBL4309032)	Antagonist activity at human PAR4
50006764	2	ChEMBL_1809570 (CHEMBL4309030)	Antagonist activity at human PAR2
50006764	3	ChEMBL_1809569 (CHEMBL4309029)	Negative allosteric modulation of CCR2 (unknown origin)
50006764	4	ChEMBL_1809571 (CHEMBL4309031)	Antagonist activity at human PAR1
50006765	1	ChEMBL_1809573 (CHEMBL4309033)	Positive allosteric modulation of human mGlu2 receptor expressed in CHOK1 cell membranes assessed as increase in glutamate-induced [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins by scintillation spectrometry method
50006765	2	ChEMBL_1809595 (CHEMBL4309055)	Positive allosteric modulation of human mGlu2 receptor expressed in CHOK1 cell membranes assessed as increase in glutamate-induced [35S]GTPgammaS binding measured after 1 hr by scintillation spectrometry method
50006765	3	ChEMBL_1809574 (CHEMBL4309034)	Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 cell membranes after 1 hr by microbeta scintillation counting method
50006765	4	ChEMBL_1809575 (CHEMBL4309035)	Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 cell membranes preincubated for 3 hrs followed by [3H]JNJ-46281222 addition and measured after 1 hr by microbeta scintillation counting method
50006765	5	ChEMBL_1809593 (CHEMBL4309053)	Irreversible displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 cell membranes preincubated for 1 hr in presence of glutamate followed by compound washout and [3H]JNJ-46281222 addition measured after 1 hr by microbeta scintillation counting method
50006765	6	ChEMBL_1809599 (CHEMBL4309059)	Displacement of [3H]JNJ-46281222 from human mGlu2 receptor transiently expressed in CHOK1 cell membranes after 1 hr by liquid scintillation counting method
50006765	7	ChEMBL_1809594 (CHEMBL4309054)	Positive allosteric modulation of human mGlu2 receptor expressed in CHOK1 cell membranes assessed as increase in glutamate-induced [35S]GTPgammaS binding preincubated for 3 hrs followed by [35S]GTPgammaS addition and measured after 1 hr by scintillation spectrometry method
50006767	1	ChEMBL_1809606 (CHEMBL4309066)	Positive allosteric modulation of human mGluR2 expressed in human Chem1 cells assessed as increase in glutamate-induced intracellular calcium influx preincubated for 30 mins followed by glutamate addition by calcium-5 dye based fluorometric assay
50006767	2	ChEMBL_1809618 (CHEMBL4309078)	Inhibition of CYP2C9 (unknown origin)
50006767	3	ChEMBL_1809616 (CHEMBL4309076)	Inhibition of CYP1A2 (unknown origin)
50006767	4	ChEMBL_1809619 (CHEMBL4309079)	Inhibition of CYP3A4 (unknown origin)
50006767	5	ChEMBL_1809617 (CHEMBL4309077)	Inhibition of CYP2D6 (unknown origin)
50006768	1	ChEMBL_1809626 (CHEMBL4309086)	Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in acetylcholine-induced channel current at -90 mV holding potential preincubated for 2 mins followed by co-application with acetylcholine for 10 secs by two-electrode voltage clamp method
50006768	2	ChEMBL_1809635 (CHEMBL4309095)	Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in acetylcholine-induced channel current by measuring acetylcholine EC50 at 10 uM at -90 mV holding potential preincubated for 2 mins followed by co-application with acetylcholine for 10 secs by two-electrode voltage clamp method (Rvb = 256.4 +/- 20.1 uM)
50006770	1	ChEMBL_1809670 (CHEMBL4309130)	Agonist activity at 5-HT2CR (unknown origin)
50006770	2	ChEMBL_1809698 (CHEMBL4309158)	Displacement of [3H]-N-methylspiperone from recombinant human D3R expressed in HEK cell membranes after 90 mins by scintillation counting method
50006770	3	ChEMBL_1809672 (CHEMBL4309132)	Agonist activity at 5-HT2BR (unknown origin)
50006770	4	ChEMBL_1809699 (CHEMBL4309159)	Displacement of [3H]-WIN35428 from recombinant human DAT expressed in HEK cell membranes after 90 mins by scintillation counting method
50006770	5	ChEMBL_1809671 (CHEMBL4309131)	Agonist activity at 5-HT2AR (unknown origin)
50006771	1	ChEMBL_1809721 (CHEMBL4309181)	Agonist activity at human FLAG-tagged MC4R expressed in HEK293 cells assessed as induction of intracellular cAMP accumulation after 2 hrs by AlphaScreen assay
50006771	2	ChEMBL_1809724 (CHEMBL4309184)	Agonist activity at human FLAG-tagged MC4R expressed in HTLA cells assessed as induction of beta-arrestin recruitment after 18 hrs by Presto-tango assay
50006772	1	ChEMBL_1809731 (CHEMBL4309191)	Antagonist activity at prolink-tagged TrkA (unknown origin) expressed in cells assessed as inhibition of NGF-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by NGF addition measured after 2 hrs by PathHunter enzyme complementation assay
50006772	2	ChEMBL_1809774 (CHEMBL4309234)	Antagonist activity at unphosphorylated rat TrkA expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin addition and measured after 35 mins by HTRF assay
50006772	3	ChEMBL_1809773 (CHEMBL4309233)	Antagonist activity at TrkA in rat DRG assessed as inhibition of NGF-induced ERK phosphorylation preincubated for 60 mins followed by NGF addition and measured after 30 mins
50006772	4	ChEMBL_1809741 (CHEMBL4309201)	Antagonist activity at unphosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin addition and measured after 35 mins by HTRF assay
50006772	5	ChEMBL_1809738 (CHEMBL4309198)	Binding affinity to C-terminal-His6/N-terminal BAP-tagged unphosphorylated TrkA (unknown origin) (441 to 796 residues) by SPR analysis
50006772	6	ChEMBL_1809733 (CHEMBL4309193)	Antagonist activity at prolink-tagged TrkC (unknown origin) expressed in cells assessed as inhibition of NT3-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by NT3 addition measured after 2 hrs by PathHunter enzyme complementation assay
50006772	7	ChEMBL_1809742 (CHEMBL4309202)	Antagonist activity at phosphorylated human His-tagged TrkA (441 to 796 residues) expressed in baculovirus expression system preincubated for 20 mins followed by TK-substrate-Biotin addition and measured after 35 mins by HTRF assay
50006772	8	ChEMBL_1809732 (CHEMBL4309192)	Antagonist activity at prolink-tagged TrkB (unknown origin) expressed in cells assessed as inhibition of BDNF-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by BDNF addition measured after 2 hrs by PathHunter enzyme complementation assay
50006773	1	ChEMBL_1809823 (CHEMBL4309283)	Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	2	ChEMBL_1809826 (CHEMBL4309286)	Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	3	ChEMBL_1809827 (CHEMBL4309287)	Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	4	ChEMBL_1809828 (CHEMBL4309288)	Binding affinity to human RFC2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	5	ChEMBL_1809829 (CHEMBL4309289)	Binding affinity to human PCFT4 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	6	ChEMBL_1809830 (CHEMBL4309290)	Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	7	ChEMBL_1809834 (CHEMBL4309294)	Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as reduction in [3H]MTX uptake at pH 5.5 measured over 2 mins by Dixon plot analysis
50006773	8	ChEMBL_1809825 (CHEMBL4309285)	Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50006773	9	ChEMBL_1809840 (CHEMBL4309300)	Inhibition of GARFTase in human IGROV1 cells assessed as decrease in incorporation of [14C(U)glycine into [14C]formyl GAR formation after 24 hrs
50006775	1	ChEMBL_1809881 (CHEMBL4309341)	Inhibition of IDH1 RI32C mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by LC-MS analysis
50006775	2	ChEMBL_1809885 (CHEMBL4309345)	Inhibition of IDH1 R132C mutant (unknown origin) catalytic activity using alpha-KG as substrate assessed as decrease in D-2-HG production after 45 mins by LC-MS/MS analysis
50006775	3	ChEMBL_1809899 (CHEMBL4309359)	Inhibition of IDH1 RI32H mutant in human HT1080 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by resazurin fluorescence based assay
50006775	4	ChEMBL_1809886 (CHEMBL4309346)	Inhibition of N-terminal His-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	5	ChEMBL_1809891 (CHEMBL4309351)	Inhibition of N-terminal His-tagged IDH2 R172K mutant (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	6	ChEMBL_1809894 (CHEMBL4309354)	Inhibition of IDH1 RI32C mutant (unknown origin) by kinase-Glo luminescent assay
50006775	7	ChEMBL_1809903 (CHEMBL4309363)	Inhibition of IDH1 R132C mutant (unknown origin) using alpha-KG after 105 mins by NADPH depletion assay
50006775	8	ChEMBL_1809913 (CHEMBL4309373)	Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by by diaphorase and resazurin dye based assay
50006775	9	ChEMBL_1809917 (CHEMBL4309377)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	10	ChEMBL_1809936 (CHEMBL4309396)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by by diaphorase and resazurin dye based assay
50006775	11	ChEMBL_1809910 (CHEMBL4309370)	Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-KG as substrate after 60 mins in presence of NADPH by resazurin-based assay
50006775	12	ChEMBL_1809929 (CHEMBL4309389)	Inhibition of IDH1/2 in human U87-MG cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysis
50006775	13	ChEMBL_1809931 (CHEMBL4309391)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 45 mins by by diaphorase and resazurin dye based assay
50006775	14	ChEMBL_1809933 (CHEMBL4309393)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 45 mins by by diaphorase and resazurin dye based assay
50006775	15	ChEMBL_1809905 (CHEMBL4309365)	Inhibition of IDH1 R132C mutant (unknown origin) expressed in HEK293T cells using alpha-KG in presence of NADPH by LC-MS/MS analysis
50006775	16	ChEMBL_1809908 (CHEMBL4309368)	Inhibition of wild type IDH2 (unknown origin)
50006775	17	ChEMBL_1809914 (CHEMBL4309374)	Inhibition of IDH2 R172K mutant (40 to end residues) (unknown origin) using alpha-KG as substrate after 120 mins in presence of NADPH by resazurin-based assay
50006775	18	ChEMBL_1809916 (CHEMBL4309376)	Inhibition of IDH2 R140Q mutant (unknown origin) by NADPH depletion assay
50006775	19	ChEMBL_1809920 (CHEMBL4309380)	Inhibition of IDH1 R132S mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	20	ChEMBL_1809921 (CHEMBL4309381)	Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	21	ChEMBL_1809922 (CHEMBL4309382)	Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	22	ChEMBL_1809927 (CHEMBL4309387)	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-KG as substrate after 90 mins
50006775	23	ChEMBL_1809928 (CHEMBL4309388)	Inhibition of IDH2 R172K mutant (unknown origin) using alpha-KG as substrate after 90 mins in presence of NADPH by RF/MS analysis
50006775	24	ChEMBL_1809932 (CHEMBL4309392)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate by by luminescence based assay
50006775	25	ChEMBL_1809935 (CHEMBL4309395)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by by diaphorase and resazurin dye based assay
50006775	26	ChEMBL_1809868 (CHEMBL4309328)	Inhibition of IDH1 R132H mutant in human HT-1080 cells assessed as suppression of 2-HG production incubated for 48 hrs by LC-MS analysis
50006775	27	ChEMBL_1809878 (CHEMBL4309338)	Inhibition of IDH1 R132H mutant in human U87MG cells assessed as decrease in 2-HG levels
50006775	28	ChEMBL_1809879 (CHEMBL4309339)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption by diaphorase/resazurin-based assay
50006775	29	ChEMBL_1809880 (CHEMBL4309340)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption by diaphorase/resazurin-based assay
50006775	30	ChEMBL_1809884 (CHEMBL4309344)	Inhibition of IDH1 R132H mutant (unknown origin) catalytic activity using alpha-KG as substrate assessed as decrease in D-2-HG production after 45 mins by LC-MS/MS analysis
50006775	31	ChEMBL_1809887 (CHEMBL4309347)	Inhibition of N-terminal His-tagged IDH1 R132C mutant (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	32	ChEMBL_1809888 (CHEMBL4309348)	Inhibition of wild type N-terminal His-tagged IDH1 (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	33	ChEMBL_1809890 (CHEMBL4309350)	Inhibition of N-terminal His-tagged IDH2 R140Q mutant (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	34	ChEMBL_1809892 (CHEMBL4309352)	Inhibition of N-terminal His-tagged IDH1 RI32C mutant (unknown origin) expressed in Escherichia coli using alpha-KG and NADPH substrate assessed as suppression of 2-HG production incubated for 40 mins by LC-MS analysis
50006775	35	ChEMBL_1809893 (CHEMBL4309353)	Inhibition of N-terminal His-tagged IDH1 RI32H mutant (unknown origin) expressed in Escherichia coli using alpha-KG and NADPH substrate assessed as suppression of 2-HG production incubated for 40 mins by LC-MS analysis
50006775	36	ChEMBL_1809895 (CHEMBL4309355)	Inhibition of IDH1 R132H mutant (unknown origin) by fluorescence-based assay
50006775	37	ChEMBL_1809897 (CHEMBL4309357)	Inhibition of IDH1 R132C mutant (unknown origin) using alpha-KG as substrate after 60 mins by resazurin based assay
50006775	38	ChEMBL_1809900 (CHEMBL4309360)	Inhibition of IDH1 RI32C mutant in human U87 cells assessed as reduction in intracellular 2-HG levels after 24 hrs by resazurin fluorescence based assay
50006775	39	ChEMBL_1809901 (CHEMBL4309361)	Inhibition of IDH1 R132H mutant (unknown origin) by NADPH depletion assay
50006775	40	ChEMBL_1809902 (CHEMBL4309362)	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-KG after 105 mins by NADPH depletion assay
50006775	41	ChEMBL_1809883 (CHEMBL4309343)	Inhibition of IDH1 R132G mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysis
50006775	42	ChEMBL_1809915 (CHEMBL4309375)	Inhibition of IDH2 R172K mutant (unknown origin) by NADPH depletion assay
50006775	43	ChEMBL_1809919 (CHEMBL4309379)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	44	ChEMBL_1809867 (CHEMBL4309327)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293 cells assessed as decrease in D-2-HG production
50006775	45	ChEMBL_1809904 (CHEMBL4309364)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells using alpha-KG in presence of NADPH by LC-MS/MS analysis
50006775	46	ChEMBL_1809918 (CHEMBL4309378)	Inhibition of IDH1 R132G mutant (unknown origin) assessed as reduction in 2-HG levels after 90 mins in presence of NADPH by resazurin-based assay
50006775	47	ChEMBL_1809882 (CHEMBL4309342)	Inhibition of IDH1 R132H mutant (unknown origin) using alphaKG as substrate by LC-MS/MS analysis
50006775	48	ChEMBL_1809889 (CHEMBL4309349)	Inhibition of wild type N-terminal His-tagged IDH2 (unknown origin) expressed in Escherichia coli using alpha-KG as substrate assessed as decrease in D-2-HG production after 90 mins by quadrupole mass spectrometry
50006775	49	ChEMBL_1809896 (CHEMBL4309356)	Inhibition of IDH1 R132C mutant (unknown origin) by fluorescence-based assay
50006775	50	ChEMBL_1809898 (CHEMBL4309358)	Inhibition of IDH1 in human HT1080 cells assessed as decrease in 2-HG levels after 48 hrs by LC-MS/MS analysis
50006776	1	ChEMBL_1809947 (CHEMBL4309407)	Inhibition of human JAK3
50006776	2	ChEMBL_1809937 (CHEMBL4309397)	Inhibition of recombinant JAK2 (unknown origin) in presence of 0.1 mM ATP by alpha-screen assay
50006776	3	ChEMBL_1809950 (CHEMBL4309410)	Inhibition of recombinant JAK3 (unknown origin) by alpha-screen assay
50006776	4	ChEMBL_1809948 (CHEMBL4309408)	Inhibition of human TYK2
50006776	5	ChEMBL_1809946 (CHEMBL4309406)	Inhibition of human JAK2
50006776	6	ChEMBL_1809943 (CHEMBL4309403)	Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50006776	7	ChEMBL_1809942 (CHEMBL4309402)	Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50006776	8	ChEMBL_1809941 (CHEMBL4309401)	Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50006776	9	ChEMBL_1809945 (CHEMBL4309405)	Inhibition of human JAK1
50006776	10	ChEMBL_1809940 (CHEMBL4309400)	Inhibition of recombinant JAK1 (unknown origin) by alpha-screen assay
50006776	11	ChEMBL_1809949 (CHEMBL4309409)	Inhibition of recombinant JAK2 (unknown origin) by alpha-screen assay
50006776	12	ChEMBL_1809944 (CHEMBL4309404)	Inhibition of human TYK2 kinase domain using biotin-IRS1-substrate as substrate incubated for 1 hr by ELISA
50006776	13	ChEMBL_1809938 (CHEMBL4309398)	Inhibition of JAK2 in human TF1 cells assessed as reduction in IL2-induced STAT6 phosphorylation at Tyr694/699 residues
50006776	14	ChEMBL_1809951 (CHEMBL4309411)	Inhibition of recombinant TYK2 (unknown origin) by alpha-screen assay
50006778	1	ChEMBL_1809973 (CHEMBL4309433)	Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative to control
50006778	2	ChEMBL_1809975 (CHEMBL4309435)	Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay
50006778	3	ChEMBL_1809963 (CHEMBL4309423)	Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye based assay
50006778	4	ChEMBL_1809971 (CHEMBL4309431)	Inhibition of mouse kidney glutaminase assessed as ammonia formation using glutamine as substrate by Nessler's reagent based assay
50006778	5	ChEMBL_1809965 (CHEMBL4309425)	Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins
50006778	6	ChEMBL_1809969 (CHEMBL4309429)	Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay
50006778	7	ChEMBL_1809974 (CHEMBL4309434)	Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level
50006778	8	ChEMBL_1809962 (CHEMBL4309422)	Inhibition of human KGA (1 to 669 residues) preincubated for 20 mins using 7 mM glutamine as substrate
50006778	9	ChEMBL_1809964 (CHEMBL4309424)	Inhibition of human GAC assessed as NADH formation using 10 mM glutamine as substrate
50006780	1	ChEMBL_1810141 (CHEMBL4309601)	Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50006781	1	ChEMBL_1810385 (CHEMBL4309845)	Binding affinity to HSP90 (unknown origin) by SPR analysis
50006784	1	ChEMBL_1810389 (CHEMBL4309849)	Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	2	ChEMBL_1810423 (CHEMBL4309883)	Inhibition of recombinant human CYP2C19
50006784	3	ChEMBL_1810393 (CHEMBL4309853)	Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	4	ChEMBL_1810390 (CHEMBL4309850)	Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	5	ChEMBL_1810391 (CHEMBL4309851)	Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	6	ChEMBL_1810446 (CHEMBL4309906)	Inhibition of MGLL in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	7	ChEMBL_1810422 (CHEMBL4309882)	Inhibition of recombinant human CYP2C9
50006784	8	ChEMBL_1810424 (CHEMBL4309884)	Inhibition of recombinant human CYP3A4
50006784	9	ChEMBL_1810426 (CHEMBL4309886)	Inhibition of recombinant human CYP2D6
50006784	10	ChEMBL_1810448 (CHEMBL4309908)	Inhibition of ABHD6 in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006784	11	ChEMBL_1810425 (CHEMBL4309885)	Inhibition of recombinant human CYP3A5
50006784	12	ChEMBL_1810421 (CHEMBL4309881)	Inhibition of recombinant human CYP1A2
50006784	13	ChEMBL_1810451 (CHEMBL4309911)	Inhibition of PLA2G7 in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay
50006785	1	ChEMBL_1810473 (CHEMBL4309933)	Positive allosteric modulation of human M4 AchR
50006785	2	ChEMBL_1810456 (CHEMBL4309916)	Positive allosteric modulation of 5-HT2C receptor (unknown origin) assessed as increase in 5-HT-induced displacement of [3H]mesulergine by measuring 5-HT Ki at 20 uM (Rvb = 159 nM)
50006785	3	ChEMBL_1810482 (CHEMBL4309942)	Inhibition of CXCR1 (unknown origin)
50006785	4	ChEMBL_1810472 (CHEMBL4309932)	Positive allosteric modulation of rat M4 AchR
50006785	5	ChEMBL_1810468 (CHEMBL4309928)	Positive allosteric modulation of M1 AchR (unknown origin)
50006785	6	ChEMBL_1810483 (CHEMBL4309943)	Inhibition of CXCR2 (unknown origin)
50006785	7	ChEMBL_1810469 (CHEMBL4309929)	Positive allosteric modulation of M5 AchR (unknown origin) assessed as increase in acetylcholine-induced response
50006786	1	ChEMBL_1810489 (CHEMBL4309949)	Binding affinity to human STEP PTP domain (281 to 563 residues) expressed in Escherichia coli BL21(DE3) by ITC
50006786	2	ChEMBL_1810488 (CHEMBL4309948)	Binding affinity to human 15N-labeled STEP PTP domain (281 to 563 residues) expressed in Escherichia coli OD2 by 1H,15N TROSY NMR spectral analysis
50006788	1	ChEMBL_1810509 (CHEMBL4309969)	Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	2	ChEMBL_1810510 (CHEMBL4309970)	Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	3	ChEMBL_1810511 (CHEMBL4309971)	Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	4	ChEMBL_1810513 (CHEMBL4309973)	Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	5	ChEMBL_1810514 (CHEMBL4309974)	Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	6	ChEMBL_1810515 (CHEMBL4309975)	Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	7	ChEMBL_1810512 (CHEMBL4309972)	Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP by radiometric filter binding assay
50006788	8	ChEMBL_1810522 (CHEMBL4309982)	Inhibition of GST-tagged AURORA B (unknown origin) expressed in baculovirus infected Sf9 cells using MBP as substrate
50006788	9	ChEMBL_1810521 (CHEMBL4309981)	Inhibition of GST-tagged AURORA A (unknown origin) expressed in baculovirus infected Sf9 cells using MBP as substrate
50006788	10	ChEMBL_1810551 (CHEMBL4310011)	Inhibition of CDK1/cyclin B1 (unknown origin)
50006788	11	ChEMBL_1810553 (CHEMBL4310013)	Inhibition of CDK2 (unknown origin)
50006788	12	ChEMBL_1810536 (CHEMBL4309996)	Inhibition of SETD8 (unknown origin)
50006788	13	ChEMBL_1810573 (CHEMBL4310033)	Inhibition of human CDK2/cyclin A2
50006788	14	ChEMBL_1810535 (CHEMBL4309995)	Inhibition of CDK4/cyclin D1 (unknown origin)
50006789	1	ChEMBL_1810577 (CHEMBL4310037)	Positive allosteric modulation of human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium mobilization preincubated for 142 secs followed by EC20 glutamate addition and subsequent EC80 glutamate addition after 147 secs by Fluo-4-AM dye based fluorescence assay
50006789	2	ChEMBL_1810584 (CHEMBL4310044)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by LC-MS/MS analysis
50006789	3	ChEMBL_1810585 (CHEMBL4310045)	Positive allosteric modulation of rat mGlu4 receptor expressed in HEK cells co-expressing GIRK1/2 assessed as increase in glutamate-induced thallium flux preincubated for 140 secs followed by glutamate addition and measured after 2.5 mins by FluoZin-2-AM dye based fluorescence assay
50006789	4	ChEMBL_1810604 (CHEMBL4310064)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by LC-MS/MS analysis
50006789	5	ChEMBL_1810605 (CHEMBL4310065)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by LC-MS/MS analysis
50006789	6	ChEMBL_1810606 (CHEMBL4310066)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by LC-MS/MS analysis
50006792	1	ChEMBL_1810619 (CHEMBL4310079)	Inhibition of human 6x-His-tagged BRD4 bromodomain 2 expressed in Escherichia coli
50006792	2	ChEMBL_1810626 (CHEMBL4310086)	Inhibition of human 6x-His-tagged BRD3 bromodomain 2 expressed in Escherichia coli
50006792	3	ChEMBL_1810624 (CHEMBL4310084)	Inhibition of human BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy
50006792	4	ChEMBL_1810635 (CHEMBL4310095)	Inhibition of BRDT N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	5	ChEMBL_1810621 (CHEMBL4310081)	Inhibition of BRD4 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	6	ChEMBL_1810618 (CHEMBL4310078)	Inhibition of human 6x-His-tagged BRD4 bromodomain 1 expressed in Escherichia coli
50006792	7	ChEMBL_1810633 (CHEMBL4310093)	Inhibition of BRD2 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	8	ChEMBL_1810629 (CHEMBL4310089)	Inhibition of human 6x-His-tagged BRD2 bromodomain 2 expressed in Escherichia coli
50006792	9	ChEMBL_1810623 (CHEMBL4310083)	Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy
50006792	10	ChEMBL_1810627 (CHEMBL4310087)	Inhibition of human BRDT bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy
50006792	11	ChEMBL_1810622 (CHEMBL4310082)	Inhibition of BRD4 bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence anisotropy
50006792	12	ChEMBL_1810620 (CHEMBL4310080)	Inhibition of BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	13	ChEMBL_1810631 (CHEMBL4310091)	Inhibition of BRD3 N-terminal bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	14	ChEMBL_1810632 (CHEMBL4310092)	Inhibition of BRD3 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	15	ChEMBL_1810634 (CHEMBL4310094)	Inhibition of BRD2 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3) by alpha-screen assay
50006792	16	ChEMBL_1810638 (CHEMBL4310098)	Binding affinity to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by isothermal-titration calorimetry
50006792	17	ChEMBL_1810660 (CHEMBL4310120)	Binding affinity to BRD4 C-terminal bromodomain 2 (unknown origin) expressed in Escherichia coli Bl21(DE3)
50006792	18	ChEMBL_1810625 (CHEMBL4310085)	Inhibition of human 6x-His-tagged BRD3 bromodomain 1 expressed in Escherichia coli
50006792	19	ChEMBL_1810628 (CHEMBL4310088)	Inhibition of human 6x-His-tagged BRD2 bromodomain 1 expressed in Escherichia coli
50006792	20	ChEMBL_1810641 (CHEMBL4310101)	Displacement of Fl-JQ1 from BRD4 C-terminal bromodomain 2 H437D mutant (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence polarization assay
50006792	21	ChEMBL_1810649 (CHEMBL4310109)	Binding affinity to human p38alpha (1 to 360 residues) expressed in bacterial expression system
50006792	22	ChEMBL_1810642 (CHEMBL4310102)	Binding affinity to BRD4 C-terminal bromodomain 2 H437D mutant (unknown origin) expressed in Escherichia coli Bl21(DE3) by fluorescence polarization assay
50006793	1	ChEMBL_1810686 (CHEMBL4310146)	Inhibition of human ERG by patch clamp electrophysiology
50006794	1	ChEMBL_1810704 (CHEMBL4310164)	Antagonist activity at human dopamine D2 receptor expressed in CHO cells co-expressing A2A receptor assessed as reduction in sumanirole-induced response after 90 mins by DMR analysis
50006796	1	ChEMBL_1810747 (CHEMBL4310207)	Binding affinity to human serum albumin assessed as dissociation constant after 30 mins by fluorescence-based assay
50006798	1	ChEMBL_1810762 (CHEMBL4310222)	Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay
50006798	2	ChEMBL_1810761 (CHEMBL4310221)	Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay
50006798	3	ChEMBL_1810763 (CHEMBL4310223)	Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay
50006798	4	ChEMBL_1810764 (CHEMBL4310224)	Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay
50006798	5	ChEMBL_1810765 (CHEMBL4310225)	Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay
50006798	6	ChEMBL_1810766 (CHEMBL4310226)	Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay
50006798	7	ChEMBL_1810767 (CHEMBL4310227)	Inhibition of recombinant His-tagged CBP (unknown origin) after 10 mins by TR-FRET assay
50006798	8	ChEMBL_1810771 (CHEMBL4310231)	Binding affinity to recombinant human full length DNA-tagged BRD4 short isoform expressed in bacterial expression system by bromoscan assay
50006798	9	ChEMBL_1810772 (CHEMBL4310232)	Binding affinity to recombinant human DNA-tagged BRD9 (130 to 259 residues) expressed in bacterial expression system by bromoscan assay
50006798	10	ChEMBL_1810775 (CHEMBL4310235)	Binding affinity to recombinant human full length DNA-tagged TAF11D bromodomain 2 (1523 to 1654 residues) expressed in bacterial expression system by bromoscan assay
50006798	11	ChEMBL_1810770 (CHEMBL4310230)	Inhibition of fluorescent-tagged ligand from nanoLuc fused N-terminal TAF1 bromodomain 2 (unknown origin) expressed in 293T cells by luciferase reporter gene based BRET engagement assay
50006798	12	ChEMBL_1810774 (CHEMBL4310234)	Binding affinity to recombinant human full length DNA-tagged TAF1L bromodomain 2 (1523 to 1654 residues) expressed in bacterial expression system by bromoscan assay
50006798	13	ChEMBL_1810773 (CHEMBL4310233)	Binding affinity to recombinant human DNA-tagged CECR2 (423 to 543 residues) expressed in bacterial expression system by bromoscan assay
50006798	14	ChEMBL_1810776 (CHEMBL4310236)	Inhibition of fluorescent-tagged ligand from nanoLuc fused full length BRD4 (unknown origin) expressed in 293T cells by luciferase reporter gene based BRET engagement assay
50006800	1	ChEMBL_1810788 (CHEMBL4310248)	Positive allosteric modulation of GABA-A alpha1beta3gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006800	2	ChEMBL_1810798 (CHEMBL4310258)	Positive allosteric modulation of GABA-A alpha1beta3(F289S)gamma2S mutant receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006800	3	ChEMBL_1810790 (CHEMBL4310250)	Positive allosteric modulation of GABA-A alpha1beta1gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006800	4	ChEMBL_1810792 (CHEMBL4310252)	Positive allosteric modulation of GABA-A alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006800	5	ChEMBL_1810796 (CHEMBL4310256)	Positive allosteric modulation of GABA-A alpha1beta1(S290N)gamma2S mutant receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006800	6	ChEMBL_1810795 (CHEMBL4310255)	Positive allosteric modulation of GABA-A alpha1beta3(N265S)gamma2S mutant receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride current after 15 mins at -70 mV holding potential by two-microelectrode voltage clamp method
50006801	1	ChEMBL_1810907 (CHEMBL4310367)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl beta-D-glucopyranoside as substrate measured after 20 mins
50006803	1	ChEMBL_1810923 (CHEMBL4310383)	Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes measured at peak to net charge ratio at -60 mV holding potential treated for 12 secs followed by compound washout for 181 secs by whole cell two electrode voltage-clamp assay
50006803	2	ChEMBL_1810924 (CHEMBL4310384)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential treated for 12 secs followed by compound washout for 181 secs by whole cell two electrode voltage-clamp assay relative to ACh
50006804	1	ChEMBL_1810964 (CHEMBL4310424)	Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method
50006804	2	ChEMBL_1810965 (CHEMBL4310425)	Inhibition of YFP-fused ANO2 (unknown origin) expressed in FRT cells after 20 mins by fluorescence quenching method
50006804	3	ChEMBL_1810966 (CHEMBL4310426)	Inhibition of ANO1 (unknown origin) expressed in FRT cells assessed as reduction in ATP-induced chloride current after 20 mins by electrophysiological assay
50006805	1	ChEMBL_1810984 (CHEMBL4310444)	Negative allosteric modulation of mGlu3R (unknown origin)
50006805	2	ChEMBL_1810992 (CHEMBL4310452)	Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobilization preincubated for 2.3 mins followed by glutamate addition and measured after 1.7 mins by Fluo-4-AM dye based fluorescence assay
50006805	3	ChEMBL_1811009 (CHEMBL4310469)	Negative allosteric modulation of human mGlu6 receptor expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincubated for 2.3 mins followed by glutamate addition measured after 2.6 mins by BTC-AM-dye based fluorescence assay
50006805	4	ChEMBL_1811007 (CHEMBL4310467)	Negative allosteric modulation of human mGlu5R expressed in Trex293 cells assessed as decrease in glutamate-induced calcium mobilization preincubated for 2.3 mins followed by glutamate addition and measured after 2.6 mins by Fluo-4-AM dye based fluorescence assay
50006805	5	ChEMBL_1810982 (CHEMBL4310442)	Negative allosteric modulation of mGlu2R (unknown origin)
50006805	6	ChEMBL_1810985 (CHEMBL4310445)	Negative allosteric modulation of mGlu4R (unknown origin)
50006805	7	ChEMBL_1810986 (CHEMBL4310446)	Negative allosteric modulation of mGlu5R (unknown origin)
50006805	8	ChEMBL_1810988 (CHEMBL4310448)	Negative allosteric modulation of mGlu7R (unknown origin)
50006805	9	ChEMBL_1811005 (CHEMBL4310465)	Negative allosteric modulation of rat mGlu3R expressed in Trex cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobilization preincubated for 2.3 mins followed by glutamate addition and measured after 2.6 mins by Fluo-4-AM dye based fluorescence assay
50006805	10	ChEMBL_1811010 (CHEMBL4310470)	Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells harboring GIRK assessed as reduction in LPA4-induced thallium flux preincubated for 2.3 mins followed by LPA4 addition measured after 2.6 mins by BTC-AM-dye based fluorescence assay
50006805	11	ChEMBL_1811011 (CHEMBL4310471)	Negative allosteric modulation of rat mGlu8 receptor expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincubated for 2.3 mins followed by glutamate addition measured after 2.6 mins by BTC-AM-dye based fluorescence assay
50006805	12	ChEMBL_1811006 (CHEMBL4310466)	Negative allosteric modulation of human mGlu1R expressed in Trex293 cells assessed as decrease in glutamate-induced calcium mobilization preincubated for 2.3 mins followed by glutamate addition and measured after 2.6 mins by Fluo-4-AM dye based fluorescence assay
50006805	13	ChEMBL_1810983 (CHEMBL4310443)	Negative allosteric modulation of mGlu1R (unknown origin)
50006805	14	ChEMBL_1811008 (CHEMBL4310468)	Negative allosteric modulation of rat mGlu4 receptor expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincubated for 2.3 mins followed by glutamate addition measured after 2.6 mins by BTC-AM-dye based fluorescence assay
50006805	15	ChEMBL_1810989 (CHEMBL4310449)	Negative allosteric modulation of mGlu8R (unknown origin)
50006805	16	ChEMBL_1810987 (CHEMBL4310447)	Negative allosteric modulation of mGlu6R (unknown origin)
50006806	1	ChEMBL_1811034 (CHEMBL4310494)	Inhibition of LSD1 in human THP1 cells assessed as induction of CD11b expression after 4 days by LIVE/DEAD violet staining based FACS analysis
50006806	2	ChEMBL_1811033 (CHEMBL4310493)	Inhibition of LSD1 (unknown origin)
50006807	1	ChEMBL_1811039 (CHEMBL4310499)	Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by HTRF assay
50006808	1	ChEMBL_1811113 (CHEMBL4310573)	Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization
50006809	1	ChEMBL_1811155 (CHEMBL4310615)	Displacement of [3H]-DADLE from recombinant human delta-opioid receptor expressed in HEK293 cells
50006809	2	ChEMBL_1811154 (CHEMBL4310614)	Displacement of [3H]-DAMGO from recombinant human mu-opioid receptor expressed in CHOK1 cells
50006813	1	ChEMBL_1811175 (CHEMBL4310635)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 20 mins by spectrophotometric method
50006818	1	ChEMBL_1811194 (CHEMBL4310654)	Inhibition of DNA binding to STAT3 in human U266 cell lysates by ELISA
50006819	1	ChEMBL_1811200 (CHEMBL4310660)	Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluorescence assay
50006819	2	ChEMBL_1811202 (CHEMBL4310662)	Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay
50006819	3	ChEMBL_1811203 (CHEMBL4310663)	Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay
50006819	4	ChEMBL_1811208 (CHEMBL4310668)	Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) assessed as dissociation rate constant by SPR assay
50006819	5	ChEMBL_1811206 (CHEMBL4310666)	Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) by SPR assay
50006820	1	ChEMBL_1811374 (CHEMBL4310834)	Competitive inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured at 1 min interval for 20 mins followed by every 15 mins for 2 hrs by fluorescence assay
50006820	2	ChEMBL_1811367 (CHEMBL4310827)	Inhibition of cathepsin B (unknown origin) using Z-Arg-Arg-AMC as substrate after 5 mins by fluorimetric method
50006820	3	ChEMBL_1811369 (CHEMBL4310829)	Inhibition of cathepsin L (unknown origin) using Z-Phe-Arg-AMC as substrate after 5 mins by fluorimetric method
50006820	4	ChEMBL_1811382 (CHEMBL4310842)	Inhibition of KRAS G12C mutant (unknown origin)
50006820	5	ChEMBL_1811371 (CHEMBL4310831)	Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured at 1 min interval for 20 mins followed by every 15 mins for 2 hrs by fluorescence assay
50006822	1	ChEMBL_1811402 (CHEMBL4310862)	Inhibition of recombinant human MAOB expressed in insect cell microsomes using kynuramine as substrate preincubated with substrate for 30 mins followed by enzyme addition and measured after 20 mins by fluorescence spectrophotometry
50006822	2	ChEMBL_1811405 (CHEMBL4310865)	Competitive inhibition of human MAOB using farnesylamine as substrate preincubated with substrate for 5 mins followed by enzyme addition by fluorimetric horseradish peroxidase-Amplex Red-coupled assay
50006822	3	ChEMBL_1811401 (CHEMBL4310861)	Inhibition of recombinant human MAOA expressed in insect cell microsomes using kynuramine as substrate preincubated with substrate for 30 mins followed by enzyme addition and measured after 20 mins by fluorescence spectrophotometry
50006822	4	ChEMBL_1811404 (CHEMBL4310864)	Competitive inhibition of human MAOA using p-trifluoromethyl benzylamine as substrate preincubated with substrate for 5 mins followed by enzyme addition by fluorimetric horseradish peroxidase-Amplex Red-coupled assay
50006822	5	ChEMBL_1811406 (CHEMBL4310866)	Inhibition of tranylcypromine binding to human MAOB by fluorescence assay
50006822	6	ChEMBL_1811410 (CHEMBL4310870)	Competitive inhibition of human MAOB expressed in insect cell microsomes using varying levels of kynuramine as substrate measured after 20 mins by Lineweaver-burk plot analysis
50006822	7	ChEMBL_1811411 (CHEMBL4310871)	Inhibition of recombinant human MAOA expressed in insect cell microsomes using kynuramine as substrate measured after 20 mins by fluorescence spectrophotometry
50006822	8	ChEMBL_1811412 (CHEMBL4310872)	Inhibition of recombinant human MAOB expressed in insect cell microsomes using kynuramine as substrate measured after 20 mins by fluorescence spectrophotometry
50006824	1	ChEMBL_1811418 (CHEMBL4310878)	Inhibition of 20s immunoproteasome LMP7 in human erythrocytes using Suc-Leu-Leu-ValTyr-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006824	2	ChEMBL_1811416 (CHEMBL4310876)	Inhibition of 20s constitutive proteasome beta2 trypsin-like activity in human erythrocytes using Boc-Leu-Arg-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006824	3	ChEMBL_1811420 (CHEMBL4310880)	Inhibition of 20s immunoproteasome LMP2 in human erythrocytes using Ac-Pro-Ala-Leu-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006824	4	ChEMBL_1811415 (CHEMBL4310875)	Inhibition of 20s constitutive proteasome beta5 chymotrypsin-like activity in human erythrocytes using Suc-Leu-Leu-ValTyr-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006824	5	ChEMBL_1811417 (CHEMBL4310877)	Inhibition of 20s constitutive proteasome beta1 caspase-like activity in human erythrocytes using Boc-Leu-Arg-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006824	6	ChEMBL_1811419 (CHEMBL4310879)	Inhibition of 20s immunoproteasome MECL1 in human erythrocytes using Suc-Leu-Leu-ValTyr-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50006826	1	ChEMBL_1811426 (CHEMBL4310886)	Inhibition of HDAC1 (unknown origin) using Boc-Lys (Ac)-AMC as substrate measured after 60 mins by ELISA
50006827	1	ChEMBL_1811449 (CHEMBL4310909)	Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay
50006827	2	ChEMBL_1811453 (CHEMBL4310913)	Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay
50006827	3	ChEMBL_1811450 (CHEMBL4310910)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay
50006827	4	ChEMBL_1811484 (CHEMBL4310944)	Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting method
50006827	5	ChEMBL_1811475 (CHEMBL4310935)	Inhibition of HDAC6 in human A549 cells using tubulin as substrate measured after 4 hrs by Western blot analysis
50006827	6	ChEMBL_1811474 (CHEMBL4310934)	Inhibition of HDAC class 1 in human A549 cells using histone H4K12 as substrate measured after 4 hrs by Western blot analysis
50006827	7	ChEMBL_1811464 (CHEMBL4310924)	Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis
50006827	8	ChEMBL_1811462 (CHEMBL4310922)	Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate measured after 60 mins by fluorescence assay
50006827	9	ChEMBL_1811454 (CHEMBL4310914)	Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay
50006827	10	ChEMBL_1811452 (CHEMBL4310912)	Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system using Ac-Arg-Gly-Lys(Ac) as substrate measured after 60 mins by fluorescence assay
50006827	11	ChEMBL_1811451 (CHEMBL4310911)	Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay
50006827	12	ChEMBL_1811448 (CHEMBL4310908)	Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence assay
50006827	13	ChEMBL_1811461 (CHEMBL4310921)	Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay
50006830	1	ChEMBL_1811677 (CHEMBL4311137)	Inhibition of MPO (unknown origin)
50006830	2	ChEMBL_1811674 (CHEMBL4311134)	Inhibition of MPO in human neutrophils using H2O2 as substrate measured after 5 mins
50006830	3	ChEMBL_1811673 (CHEMBL4311133)	Inhibition of MPO (unknown origin) using H2O2 as substrate
50006830	4	ChEMBL_1811675 (CHEMBL4311135)	Inhibition of MPO in human neutrophils using H2O2 as substrate measured after 1 hr by fluorescence based HPLC analysis
50006831	1	ChEMBL_1811771 (CHEMBL4311231)	Binding affinity to SUMO-fused/His-tagged PDK4 (unknown origin) expressed in Escherichia coli by isothermal calorimetric titration analysis
50006831	2	ChEMBL_1811768 (CHEMBL4311228)	Binding affinity to SUMO-fused/His-tagged PDK1 (unknown origin) expressed in Escherichia coli by isothermal calorimetric titration analysis
50006831	3	ChEMBL_1811766 (CHEMBL4311226)	Inhibition of PDK1 (unknown origin) using PDH E1 as substrate measured after 30 mins by kinase-glo assay
50006831	4	ChEMBL_1811769 (CHEMBL4311229)	Binding affinity to SUMO-fused/His-tagged PDK2 (unknown origin) expressed in Escherichia coli by isothermal calorimetric titration analysis
50006831	5	ChEMBL_1811770 (CHEMBL4311230)	Binding affinity to SUMO-fused/His-tagged PDK3 (unknown origin) expressed in Escherichia coli by isothermal calorimetric titration analysis
50006832	1	ChEMBL_1811784 (CHEMBL4311244)	Inhibition of mushroom tyrosinase using TBC as substrate by spectrophotometric method
50006832	2	ChEMBL_1811785 (CHEMBL4311245)	Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate preincubated with substrate for 5 mins followed by enzyme addition and measured immediately by spectrophotometric method
50006833	1	ChEMBL_1811902 (CHEMBL4311362)	Inhibition of [3H]Rev response element binding to HIV1 biotinylated-Rev protein expressed in Escherichia coli after 15 mins by scintillation proximity assay
50006834	1	ChEMBL_1811978 (CHEMBL4311438)	Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by fluorescence polarization assay
50006836	1	ChEMBL_1812048 (CHEMBL4311508)	Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method
50006836	2	ChEMBL_1812049 (CHEMBL4311509)	Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method
50006836	3	ChEMBL_1812056 (CHEMBL4311516)	Inhibition of Aurora A phosphorylation at Thr288 residue in human HeLa cells after 12 hrs by ELISA
50006836	4	ChEMBL_1812065 (CHEMBL4311525)	Inhibition of recombinant human FLT3
50006836	5	ChEMBL_1812057 (CHEMBL4311517)	Inhibition of Aurora B phosphorylation at Thr232 residue in human HeLa cells after 12 hrs by ELISA
50006836	6	ChEMBL_1812060 (CHEMBL4311520)	Inhibition of recombinant N-terminal His6-tagged Aurora A (62 to 344 residues) (unknown origin) expressed in baculovirus expression system
50006836	7	ChEMBL_1812061 (CHEMBL4311521)	Inhibition of recombinant N-terminal His6-tagged Aurora B (1 to 403 residues) (unknown origin) expressed in baculovirus expression system
50006836	8	ChEMBL_1812063 (CHEMBL4311523)	Inhibition of recombinant mouse Aurora A kinase expressed in Sf9 cells using Biotin-GLRRASLG as substrate in presence of [gamma33]P-ATP by FlashPlate assay
50006836	9	ChEMBL_1812066 (CHEMBL4311526)	Inhibition of recombinant full-length His-tagged Aurora A (unknown origin) expressed in insect cells using biotinylated LRRWSLG as substrate in presence of [gamma33]P-ATP by scintillation proximity assay
50006836	10	ChEMBL_1812062 (CHEMBL4311522)	Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system
50006836	11	ChEMBL_1812067 (CHEMBL4311527)	Inhibition of recombinant full-length His-tagged Aurora B (unknown origin) expressed in insect cells using biotinylated LRRWSLG as substrate measured over 60 mins by Z-LYTE assay
50006836	12	ChEMBL_1812068 (CHEMBL4311528)	Inhibition of Aurora A (unknown origin)
50006836	13	ChEMBL_1812064 (CHEMBL4311524)	Inhibition of recombinant human Aurora A
50006839	1	ChEMBL_1812091 (CHEMBL4311551)	Inhibition of LSD1 (unknown origin) by fluorescence assay
50006839	2	ChEMBL_1812090 (CHEMBL4311550)	Inhibition of LSD1 (unknown origin)
50006839	3	ChEMBL_1812092 (CHEMBL4311552)	Competitive inhibition of LSD1 (unknown origin) using H3Kme2 as substrate by Lineweaver-Burk plot analysis
50006840	1	ChEMBL_1812121 (CHEMBL4311581)	Inhibition of N-terminally tagged human recombinant GCP2 (44 to 750 residues) extracellular domain expressed in Drosophila melanogaster S2 cells preincubated for 20 mins followed by [3H]-NAAG addition and measured after 20 mins by liquid scintillation counting assay
50006841	1	ChEMBL_1812127 (CHEMBL4311587)	Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assay
50006841	2	ChEMBL_1812125 (CHEMBL4311585)	Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate after 30 mins in presence of NADPH by EROD assay
50006841	3	ChEMBL_1812126 (CHEMBL4311586)	Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADPH by EROD assay
50006842	1	ChEMBL_1812150 (CHEMBL4311610)	Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	2	ChEMBL_1812145 (CHEMBL4311605)	Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	3	ChEMBL_1812146 (CHEMBL4311606)	Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	4	ChEMBL_1812144 (CHEMBL4311604)	Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescence thermal shift assay
50006842	5	ChEMBL_1812147 (CHEMBL4311607)	Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	6	ChEMBL_1812148 (CHEMBL4311608)	Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	7	ChEMBL_1812155 (CHEMBL4311615)	Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	8	ChEMBL_1812156 (CHEMBL4311616)	Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	9	ChEMBL_1812151 (CHEMBL4311611)	Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	10	ChEMBL_1812152 (CHEMBL4311612)	Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	11	ChEMBL_1812153 (CHEMBL4311613)	Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	12	ChEMBL_1812154 (CHEMBL4311614)	Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	13	ChEMBL_1812133 (CHEMBL4311593)	Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assay
50006842	14	ChEMBL_1812134 (CHEMBL4311594)	Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assay
50006842	15	ChEMBL_1812136 (CHEMBL4311596)	Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay
50006842	16	ChEMBL_1812141 (CHEMBL4311601)	Binding affinity to recombinant human CA9 by DSF-based fluorescence thermal shift assay
50006842	17	ChEMBL_1812142 (CHEMBL4311602)	Binding affinity to recombinant human CA12 by DSF-based fluorescence thermal shift assay
50006842	18	ChEMBL_1812143 (CHEMBL4311603)	Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assay
50006842	19	ChEMBL_1812140 (CHEMBL4311600)	Binding affinity to recombinant human CA7 by DSF-based fluorescence thermal shift assay
50006842	20	ChEMBL_1812138 (CHEMBL4311598)	Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescence thermal shift assay
50006842	21	ChEMBL_1812139 (CHEMBL4311599)	Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assay
50006842	22	ChEMBL_1812157 (CHEMBL4311617)	Binding affinity to recombinant human CA2 in pH 7 sodium phosphate buffer at 37 degC by isothermal titration calorimetry
50006842	23	ChEMBL_1812149 (CHEMBL4311609)	Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay
50006842	24	ChEMBL_1812137 (CHEMBL4311597)	Binding affinity to recombinant full length C-terminal His6x-tagged human CA5A expressed in Escherichia coli BL21(DE3) by DSF-based fluorescence thermal shift assay
50006842	25	ChEMBL_1812135 (CHEMBL4311595)	Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) by DSF-based fluorescence thermal shift assay
50006843	1	ChEMBL_1812240 (CHEMBL4311700)	Inhibition of AChE in Swiss mouse brain homogenate using acetylthiocholine iodide as substrate by Ellman's assay
50006843	2	ChEMBL_1812229 (CHEMBL4311689)	Inhibition of electrophorus electricus AChE
50006843	3	ChEMBL_1812242 (CHEMBL4311702)	Inhibition of BuChE in Swiss mouse liver homogenate by Ellman's assay
50006843	4	ChEMBL_1812230 (CHEMBL4311690)	Inhibition of equine serum BuChE
50006843	5	ChEMBL_1812247 (CHEMBL4311707)	Inhibition of AChE in Swiss mouse liver homogenate using acetylthiocholine iodide as substrate by Ellman's assay
50006843	6	ChEMBL_1812234 (CHEMBL4311694)	Reversible competitive inhibition of equine BuChE by Lineweaver-burk plot analysis
50006843	7	ChEMBL_1812231 (CHEMBL4311691)	Inhibition of equine serum BuChE after 15 mins
50006844	1	ChEMBL_1812249 (CHEMBL4311709)	Inhibition of human SGLT1 expressed in CHOK1 cells assessed as reduction in sodium-dependent glucose uptake after 30 mins in presence of [14C]-methyl-alpha -D-glucopyranoside by microbeta counting method
50006844	2	ChEMBL_1812250 (CHEMBL4311710)	Inhibition of human SGLT2 expressed in CHOK1 cells assessed as reduction in sodium-dependent glucose uptake after 1 hr in presence of [14C]-methyl-alpha -D-glucopyranoside by microbeta counting method
50006845	1	ChEMBL_1812363 (CHEMBL4311823)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 30 secs for 1 hr by Ellman's assay
50006846	1	ChEMBL_1812367 (CHEMBL4311827)	Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescence-based assay
50006846	2	ChEMBL_1812368 (CHEMBL4311828)	Inhibition of chymotrypsin like activity of 26S proteasome beta 5 subunit (unknown origin) by fluorescence assay
50006847	1	ChEMBL_1812377 (CHEMBL4311837)	Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by chemifluorescence assay
50006847	2	ChEMBL_1812376 (CHEMBL4311836)	Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of NAD+ by chemifluorescence assay
50006847	3	ChEMBL_1812392 (CHEMBL4311852)	Inhibition of human transmembrane domain deficient His-SUMO-tagged PARP16 expressed in Escherichia coli BL21 assessed as reduction in MARylation of His6-tagged SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	4	ChEMBL_1812383 (CHEMBL4311843)	Inhibition of human PARP4 BRCT-catalytic domain (1 to 572 residues) assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	5	ChEMBL_1812380 (CHEMBL4311840)	Inhibition of full length human PARP1 assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	6	ChEMBL_1812382 (CHEMBL4311842)	Inhibition of full length human PARP3 assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	7	ChEMBL_1812384 (CHEMBL4311844)	Inhibition of human PARP5B catalytic domain (1 to 572 residues) assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	8	ChEMBL_1812388 (CHEMBL4311848)	Inhibition of GFP-tagged human PARP8 expressed in HEK293T cells assessed as reduction in auto-MARylation after 60 mins in presence of 6-a-NAD+ by chemiluminescent immunoprecipitation assay
50006847	9	ChEMBL_1812389 (CHEMBL4311849)	Inhibition of GFP-tagged human PARP12 expressed in HEK293T cells assessed as reduction in auto-MARylation after 60 mins in presence of 6-a-NAD+ by chemiluminescent immunoprecipitation assay
50006847	10	ChEMBL_1812390 (CHEMBL4311850)	Inhibition of human PARP14 catalytic-WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21 assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	11	ChEMBL_1812391 (CHEMBL4311851)	Inhibition of human PARP15 catalytic domain assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	12	ChEMBL_1812407 (CHEMBL4311867)	Inhibition of GFP-tagged human PARP10 expressed in HEK293T cells assessed as reduction in auto-MARylation after 3 hrs by Western blot analysis
50006847	13	ChEMBL_1812387 (CHEMBL4311847)	Inhibition of human PARP7 assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006847	14	ChEMBL_1812408 (CHEMBL4311868)	Inhibition of GFP-tagged human PARP10 expressed in HEK293T cells assessed as reduction in high molecular weight target protein MARylation after 3 hrs by Western blot analysis
50006847	15	ChEMBL_1812381 (CHEMBL4311841)	Inhibition of full length human PARP2 assessed as reduction in MARylation of SRPK2 substrate after 60 mins in presence of 6-a-NAD+ by chemifluorescence assay
50006848	1	ChEMBL_1812409 (CHEMBL4311869)	Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA
50006848	2	ChEMBL_1812412 (CHEMBL4311872)	Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence assay
50006848	3	ChEMBL_1812414 (CHEMBL4311874)	Inhibition of recombinant human ACE using Mca-BK2 as substrate preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence assay
50006848	4	ChEMBL_1812415 (CHEMBL4311875)	Inhibition of APP (unknown origin)
50006848	5	ChEMBL_1812413 (CHEMBL4311873)	Displacement of Europium-labeled angiotensin-2 from human AT2 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA
50006848	6	ChEMBL_1812416 (CHEMBL4311876)	Inhibition of recombinant human ECE1
50006849	1	ChEMBL_1812427 (CHEMBL4311887)	Inhibition of SQS in rat liver microsomes assessed as reduction in [3H]FPP conversion to squalene preincubated for 10 mins followed by [3H]FPP addition and measured after 10 mins by scintillation counting method
50006849	2	ChEMBL_1812428 (CHEMBL4311888)	Inhibition of SQS in rat liver microsomes assessed as reduction in [3H]FPP conversion to squalene after 45 mins by liquid scintillation counting method
50006851	1	ChEMBL_1812457 (CHEMBL4311917)	Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization preincubated for 15 mins followed by SLIGKV-NH2 addition by Fluo-4-AM dye based fluorescence assay
50006851	2	ChEMBL_1812460 (CHEMBL4311920)	Antagonist activity at PAR1 in human MDA-MB-231 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 15 mins followed by TFLLRN-NH2 addition by Fluo-4-AM dye based fluorescence assay
50006851	3	ChEMBL_1812459 (CHEMBL4311919)	Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFLLRN-NH2-induced intracellular calcium mobilization preincubated for 15 mins followed by TFLLRN-NH2 addition by Fluo-4-AM dye based fluorescence assay
50006851	4	ChEMBL_1812458 (CHEMBL4311918)	Antagonist activity at PAR2 in human MDA-MB-231 cells assessed as inhibition of SLIGKV-NH2-induced intracellular calcium mobilization preincubated for 15 mins followed by SLIGKV-NH2 addition by Fluo-4-AM dye based fluorescence assay
50006851	5	ChEMBL_1812464 (CHEMBL4311924)	Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of thrombin-induced intracellular calcium mobilization preincubated for 15 mins followed by thrombin addition by Fluo-4-AM dye based fluorescence assay
50006851	6	ChEMBL_1812465 (CHEMBL4311925)	Antagonist activity at PAR2 in human EAhy926 cells assessed as inhibition of trypsin-induced intracellular calcium mobilization preincubated for 15 mins followed by trypsin addition by Fluo-4-AM dye based fluorescence assay
50006853	1	ChEMBL_1812467 (CHEMBL4311927)	Agonist activity at human TLR2 expressed in HEK cells assessed as induction of MCP1 by ELISA
50006853	2	ChEMBL_1812466 (CHEMBL4311926)	Agonist activity at human TLR2 expressed in HEK-Blue cells harboring NFkB promoter-driven secreted alkaline phosphatase assessed as induction of NFkB after 12 hrs by spectrophotometric assay
50006854	1	ChEMBL_1812624 (CHEMBL4312198)	Inhibition of NS5B polymerase in HCV genotype 2A infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	2	ChEMBL_1812619 (CHEMBL4312193)	Inhibition of NS5B polymerase E1202G/T1280I/S2197P mutant in HCV genotype 2a infected in human HuH7 replicon cells after 72 hrs in presence of 10% FBS by luciferase-based reporter assay
50006854	3	ChEMBL_1812621 (CHEMBL4312195)	Inhibition of NS5B polymerase E1202G/T1280I/S2197P mutant in HCV genotype 1b infected in human HuH7 replicon cells after 72 hrs in presence of 50% human serum by luciferase-based reporter assay
50006854	4	ChEMBL_1812622 (CHEMBL4312196)	Inhibition of NS5B polymerase in HCV genotype 1a infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	5	ChEMBL_1812629 (CHEMBL4312203)	Inhibition of NS5B polymerase S365A mutant in HCV genotype 1A infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	6	ChEMBL_1812632 (CHEMBL4312206)	Transactivation of PXR (unknown origin)
50006854	7	ChEMBL_1812634 (CHEMBL4312208)	Inhibition of Nav1.5 (unknown origin)
50006854	8	ChEMBL_1812625 (CHEMBL4312199)	Inhibition of NS5B polymerase in HCV genotype 2B infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	9	ChEMBL_1812626 (CHEMBL4312200)	Inhibition of NS5B polymerase in HCV genotype 3A infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	10	ChEMBL_1812627 (CHEMBL4312201)	Inhibition of NS5B polymerase in HCV genotype 4A infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	11	ChEMBL_1812628 (CHEMBL4312202)	Inhibition of NS5B polymerase C316Y mutant in HCV genotype 1A infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006854	12	ChEMBL_1812630 (CHEMBL4312204)	Inhibition of CYP3A4 (unknown origin)
50006854	13	ChEMBL_1812631 (CHEMBL4312205)	Inhibition of human ERG by patch clamp assay
50006854	14	ChEMBL_1812633 (CHEMBL4312207)	Inhibition of Cav1.2 (unknown origin)
50006854	15	ChEMBL_1812618 (CHEMBL4312192)	Inhibition of NS5B polymerase E1202G/T1280I/S2197P mutant in HCV genotype 1a infected in human HuH7 replicon cells after 72 hrs in presence of 10% FBS by luciferase-based reporter assay
50006854	16	ChEMBL_1812620 (CHEMBL4312194)	Inhibition of NS5B polymerase E1202G/T1280I/S2197P mutant in HCV genotype 1b infected in human HuH7 replicon cells after 72 hrs in presence of 10% FBS by luciferase-based reporter assay
50006854	17	ChEMBL_1812623 (CHEMBL4312197)	Inhibition of NS5B polymerase in HCV genotype 1b infected in HuH7 cells after 40 hrs by Taqman probe based RT-PCR analysis
50006855	1	ChEMBL_1812671 (CHEMBL4312245)	Inhibition of recombinant C-terminal His/FLAG-tagged HDAC1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	2	ChEMBL_1812685 (CHEMBL4312259)	Inhibition of recombinant human His-tagged PIK3CD/PIK3R1 expressed in baculovirus expression system using PIP2 as substrate incubated for 1 hr by ADP-glo assay
50006855	3	ChEMBL_1812680 (CHEMBL4312254)	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	4	ChEMBL_1812672 (CHEMBL4312246)	Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo assay
50006855	5	ChEMBL_1812684 (CHEMBL4312258)	Inhibition of recombinant human PIK3CB using PIP2 as substrate incubated for 1 hr by ADP-glo assay
50006855	6	ChEMBL_1812683 (CHEMBL4312257)	Inhibition of recombinant human His-tagged PIK3CG expressed in baculovirus expression system using PIP2 as substrate incubated for 1 hr by ADP-glo assay
50006855	7	ChEMBL_1812686 (CHEMBL4312260)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end amino acids) using ULight-4E-BP1 as substrate incubated for 1 hr by LANCE Ultra assay
50006855	8	ChEMBL_1812682 (CHEMBL4312256)	Inhibition of recombinant human full length HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	9	ChEMBL_1812681 (CHEMBL4312255)	Inhibition of recombinant human full length HDAC4 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	10	ChEMBL_1812679 (CHEMBL4312253)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	11	ChEMBL_1812678 (CHEMBL4312252)	Inhibition of recombinant human full length HDAC11 expressed in baculovirus infected Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr
50006855	12	ChEMBL_1812771 (CHEMBL4312345)	Inhibition of human ERG stably expressed in CHO cells by whole cell patch clamp method
50006856	1	ChEMBL_1812816 (CHEMBL4312390)	Inhibition of human N-terminal tagged human HDAC1 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50006856	2	ChEMBL_1812815 (CHEMBL4312389)	Inhibition of human N-terminal tagged human HDAC6 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50006856	3	ChEMBL_1812818 (CHEMBL4312392)	Inhibition of human N-terminal tagged human HDAC5 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006856	4	ChEMBL_1812819 (CHEMBL4312393)	Inhibition of human N-terminal tagged human HDAC7 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006856	5	ChEMBL_1812821 (CHEMBL4312395)	Inhibition of human N-terminal tagged human HDAC9 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006856	6	ChEMBL_1812817 (CHEMBL4312391)	Inhibition of human N-terminal tagged human HDAC4 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006856	7	ChEMBL_1812822 (CHEMBL4312396)	Inhibition of human N-terminal tagged human HDAC11 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006856	8	ChEMBL_1812820 (CHEMBL4312394)	Inhibition of human N-terminal tagged human HDAC8 expressed in HEK293T/17 using Boc-[TFA-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50006858	1	ChEMBL_1812988 (CHEMBL4312562)	Inhibition of N-(3-Chlorophenyl-4,6-t2)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine binding to his-tagged HIF-2alpha PAS-B domain (unknown origin) measured after 1 hr by scintillation proximity assay
50006858	2	ChEMBL_1812989 (CHEMBL4312563)	Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells measured after 24 hrs by one-glo luciferase reporter gene assay
50006858	3	ChEMBL_1813004 (CHEMBL4312578)	Inhibition of human ERG expressed in mammalian expression system by Q-patch clamp electrophysiology method
50006858	4	ChEMBL_1812963 (CHEMBL4312537)	Inhibition of HIF-2alpha (unknown origin) expressed in human 786-O cells assessed as reduction in VEGFA level incubated for 20 hrs prior to compound compound washout followed by supplementation of growth medium and subsequent compound addition and measured after 24 hrs by ELISA
50006860	1	ChEMBL_1813194 (CHEMBL4312768)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50006860	2	ChEMBL_1813195 (CHEMBL4312769)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50006861	1	ChEMBL_1813250 (CHEMBL4312824)	Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N"-triacetylchitotrioside as substrate after 60 mins by fluorometric assay
50006861	2	ChEMBL_1813251 (CHEMBL4312825)	Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by fluorometric assay
50006861	3	ChEMBL_1813252 (CHEMBL4312826)	Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N"-triacetylchitotrioside as substrate after 60 mins by fluorometric assay
50006861	4	ChEMBL_1813253 (CHEMBL4312827)	Inhibition of full-length C-terminal his-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N-diacetylchitobioside hydrate as substrate after 60 mins by fluorometric assay
50006861	5	ChEMBL_1813249 (CHEMBL4312823)	Displacement of Tracer Red from human ERG by fluorescence polarization assay
50006861	6	ChEMBL_1813224 (CHEMBL4312798)	Inhibition of human ERG expressed in CHO-K1 cells by automated Patch Clamp method
50006861	7	ChEMBL_1813222 (CHEMBL4312796)	Inhibition of radioligand binding to human dopamine transporter by radioligand binding assay
50006861	8	ChEMBL_1813223 (CHEMBL4312797)	Displacement of [3H]DA from rat dopamine transporter after 15 mins by scintillation counting analysis
50006862	1	ChEMBL_1813302 (CHEMBL4312876)	Inhibition of 11beta-HSD1 in human microsomes using [3H] cortisone as substrate by scintillation proximity assay
50006862	2	ChEMBL_1813255 (CHEMBL4312829)	Inhibition of 11beta-HSD2 (unknown origin) expressed in HEK293 cells using cortisone as substrate measured after 2 hrs in presence of NAD+ by HTRF assay
50006862	3	ChEMBL_1813254 (CHEMBL4312828)	Inhibition of N-terminal MKHQHQHQHQHQHQQPL-tagged 11beta-HSD1 C272S mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) using cortisol as substrate measured for 1 hr in presence of NADPH by fluorescence assay
50006862	4	ChEMBL_1813295 (CHEMBL4312869)	Antagonist activity at human PPARgamma expressed in 293H cells assessed as reduction in rosiglitazone-induced transcriptional response preincubated for 30 mins followed by rosiglitazone addition and measured after 16 hrs by reporter gene-based FRET assay
50006863	1	ChEMBL_1813305 (CHEMBL4312879)	Non-competitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006863	2	ChEMBL_1813306 (CHEMBL4312880)	Mixed inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006863	3	ChEMBL_1813303 (CHEMBL4312877)	Uncompetitive inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006863	4	ChEMBL_1813329 (CHEMBL4312903)	Inhibition of N-terminal His6-tagged human CDC25A (336 to 508 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006863	5	ChEMBL_1813328 (CHEMBL4312902)	Inhibition of N-terminal His6-tagged human CDC25C (280 to 454 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006863	6	ChEMBL_1813330 (CHEMBL4312904)	Competitive reversible inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OMFP as substrate by double reciprocal Lineweaver-Burk plot analysis
50006864	1	ChEMBL_1813361 (CHEMBL4312935)	Binding affinity to full-length human PRDX1 by surface plasmon resonance analysis
50006865	1	ChEMBL_1813372 (CHEMBL4312946)	Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 residues) expressed in HEK293 cells protein-protein interaction after 1 hr by APC-labeled anti-His antibody/Eu-labeled anti-human IgG based HTRF assay
50006865	2	ChEMBL_1813373 (CHEMBL4312947)	Inhibition of PD1/PDL1 interaction in human Jurkat cells co-cultured with human U2OS cells expressing PDL1 assessed as reduction in SHP1 recruitment preincubated with U2OS cells for 60 mins followed by Jurkat cell addition and measured after 2 hrs by Pathhunter chemiluminescent assay
50006865	3	ChEMBL_1813374 (CHEMBL4312948)	Inhibition of human PD1 stably expressed in human Jurkat T cells co-expressing NFAT-induced luciferase/human PDL1 stably expressed in CHOK1 cells co-expressing aAPC protein-protein interaction assessed as increase in NFAT signaling measured after 6 hrs by bio-glo luciferase reporter gene assay
50006866	1	ChEMBL_1813492 (CHEMBL4313066)	Inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	2	ChEMBL_1813494 (CHEMBL4313068)	Inhibition of human FGFR2 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	3	ChEMBL_1813502 (CHEMBL4313076)	Inhibition of human c-MET using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	4	ChEMBL_1813507 (CHEMBL4313081)	Inhibition of human EPHA2 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	5	ChEMBL_1813497 (CHEMBL4313071)	Inhibition of human VEGFR2 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	6	ChEMBL_1813504 (CHEMBL4313078)	Inhibition of human EGFR using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	7	ChEMBL_1813505 (CHEMBL4313079)	Inhibition of human ERbb2 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	8	ChEMBL_1813506 (CHEMBL4313080)	Inhibition of human ERbb4 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	9	ChEMBL_1813508 (CHEMBL4313082)	Inhibition of human ABL using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	10	ChEMBL_1813528 (CHEMBL4313102)	Irreversible inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins
50006866	11	ChEMBL_1813495 (CHEMBL4313069)	Inhibition of human FGFR3 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	12	ChEMBL_1813496 (CHEMBL4313070)	Inhibition of human FGFR4 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	13	ChEMBL_1813499 (CHEMBL4313073)	Inhibition of human PDGFRbeta using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	14	ChEMBL_1813578 (CHEMBL4313152)	Inhibition of human ERG by patch-clamp method
50006866	15	ChEMBL_1813501 (CHEMBL4313075)	Inhibition of human c-Src using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	16	ChEMBL_1813503 (CHEMBL4313077)	Inhibition of human ALK using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA relative to control
50006866	17	ChEMBL_1813498 (CHEMBL4313072)	Inhibition of human VEGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006866	18	ChEMBL_1813511 (CHEMBL4313085)	Inhibition of human Ret using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50006867	1	ChEMBL_1813601 (CHEMBL4313175)	Inhibition of CYP2D6 (unknown origin)
50006867	2	ChEMBL_1813582 (CHEMBL4313156)	Binding affinity to human His6-tagged ERCC1-XPF expressed in Escherichia coli BL21 (DE3) by spectrofluorimetric method
50006867	3	ChEMBL_1813598 (CHEMBL4313172)	Inhibition of CYP1A2 (unknown origin)
50006867	4	ChEMBL_1813599 (CHEMBL4313173)	Inhibition of CYP2C9 (unknown origin)
50006867	5	ChEMBL_1813600 (CHEMBL4313174)	Inhibition of CYP2C19 (unknown origin)
50006867	6	ChEMBL_1813602 (CHEMBL4313176)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50006867	7	ChEMBL_1813604 (CHEMBL4313178)	Inhibition of human His6-tagged ERCC1-XPF endonuclease activity expressed in Escherichia coli BL21 (DE3) using [6-FAM-5'-CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl] as substrate measured after 30 mins in presence of 5% DMSO by fluorescence assay
50006868	1	ChEMBL_1813605 (CHEMBL4313179)	Inhibition of human NPP1 expressed in COS-7 cell membranes assessed as reduction in p-nitrophenol production using pNP-TMP as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 35 mins
50006868	2	ChEMBL_1813607 (CHEMBL4313181)	Inhibition of human NPP3 expressed in COS-7 cell membranes assessed as reduction in p-nitrophenol production using pNP-TMP as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 35 mins
50006868	3	ChEMBL_1813617 (CHEMBL4313191)	Inhibition of NPP1 (unknown origin) using pNP-TMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by colorimetric method
50006868	4	ChEMBL_1813618 (CHEMBL4313192)	Inhibition of human recombinant N-terminal His6 tagged NPP3 expressed in baculovirus infected Sf9 cell membranes using pNP-TMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by colorimetric method
50006869	1	ChEMBL_1813619 (CHEMBL4313193)	Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing natural MA/CA cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay
50006869	2	ChEMBL_1813620 (CHEMBL4313194)	Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing natural MA/CA cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay
50006870	1	ChEMBL_1813639 (CHEMBL4313213)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	2	ChEMBL_1813643 (CHEMBL4313217)	Binding affinity to His6/FLAG-tagged TEV fused ATAD2 bromodomain (950 to 1148 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance
50006870	3	ChEMBL_1813637 (CHEMBL4313211)	Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGAKRHRKV-biotin) from His6/FLAG-tagged TEV fused ATAD2 bromodomain (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells after 30 mins by TR-FRET assay
50006870	4	ChEMBL_1813638 (CHEMBL4313212)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	5	ChEMBL_1813644 (CHEMBL4313218)	Inhibition of ATAD2 bromodomain in human HUT78 chromatin lysate after 2 hrs by bromosphere competition binding assay
50006870	6	ChEMBL_1813645 (CHEMBL4313219)	Displacement of biotinylated H4 peptide from ATAD2B bromodomain (unknown origin) by TR-FRET assay
50006870	7	ChEMBL_1813646 (CHEMBL4313220)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	8	ChEMBL_1813648 (CHEMBL4313222)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD3 BD1(1 to 435 residues)/BD2 Y348A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	9	ChEMBL_1813651 (CHEMBL4313225)	Displacement of Alexa Fluor 647 labelled ligand from His6/FLAG-tagged TEV fused BRDT BD2(1 to 397 residues)/BD2 Y66A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	10	ChEMBL_1813652 (CHEMBL4313226)	Inhibition of BRD9 (unknown origin) by TR-FRET assay
50006870	11	ChEMBL_1813653 (CHEMBL4313227)	Inhibition of BRPF1 (unknown origin) by TR-FRET assay
50006870	12	ChEMBL_1813655 (CHEMBL4313229)	Inhibition of BRPF3 (unknown origin) by TR-FRET assay
50006870	13	ChEMBL_1813656 (CHEMBL4313230)	Inhibition of CECR2 (unknown origin) by TR-FRET assay
50006870	14	ChEMBL_1813630 (CHEMBL4313204)	Inhibition of BPTF (unknown origin) by TR-FRET assay
50006870	15	ChEMBL_1813633 (CHEMBL4313207)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in Escherichia coli BL21(DE3) cells after 1 hr by competitive binding assay
50006870	16	ChEMBL_1813650 (CHEMBL4313224)	Displacement of Alexa Fluor 647 labelled ligand from His6/FLAG-tagged TEV fused BRDT BD1(1 to 397 residues)/BD2 Y309A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	17	ChEMBL_1813654 (CHEMBL4313228)	Inhibition of BRPF2 (unknown origin) by TR-FRET assay
50006870	18	ChEMBL_1813647 (CHEMBL4313221)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	19	ChEMBL_1813631 (CHEMBL4313205)	Inhibition of BRD7 (unknown origin) by TR-FRET assay
50006870	20	ChEMBL_1813658 (CHEMBL4313232)	Inhibition of TAF1 BD2 (unknown origin) by TR-FRET assay
50006870	21	ChEMBL_1813632 (CHEMBL4313206)	Displacement of biotinylated H4 peptide from His6/FLAG-tagged TEV fused ATAD2 bromodomain (950 to 1148 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells after 30 mins by TR-FRET assay
50006870	22	ChEMBL_1813649 (CHEMBL4313223)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD3 BD2(1 to 435 residues)/BD1 Y73A mutant (unknown origin) after 30 mins by TR-FRET assay
50006870	23	ChEMBL_1813657 (CHEMBL4313231)	Inhibition of CREBBP (unknown origin) by TR-FRET assay
50006870	24	ChEMBL_1813665 (CHEMBL4313239)	Displacement of Alexa Fluor 488 labelled ligand from ATAD2 bromodomain (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells after 30 mins by TR-FRET assay
50006871	1	ChEMBL_1813824 (CHEMBL4313398)	Inhibition of human p38alpha using MBP as substrate by [gamma-33P]-ATP assay
50006871	2	ChEMBL_1813870 (CHEMBL4313444)	Inhibition of human BRAF V600E mutant using MEK1 as substrate by [gamma-34P]-ATP assay
50006871	3	ChEMBL_1813869 (CHEMBL4313443)	Inhibition of human RAF1 using MEK1 as substrate by [gamma-33P]-ATP assay
50006871	4	ChEMBL_1813822 (CHEMBL4313396)	Inhibition of recombinant Nanoluc-tagged p38alpha (unknown origin) expressed in HEK293 cells incubated for 2 to 3 mins by NanoBRET assay
50006871	5	ChEMBL_1813820 (CHEMBL4313394)	Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay
50006871	6	ChEMBL_1813891 (CHEMBL4313465)	Inhibition of p38alpha (unknown origin)
50006871	7	ChEMBL_1813871 (CHEMBL4313445)	Inhibition of human c-MET using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50006873	1	ChEMBL_1813996 (CHEMBL4313570)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cells incubated for 60 mins by liquid scintillation counting method
50006873	2	ChEMBL_1813995 (CHEMBL4313569)	Displacement of [3H]-5-HT from human 5HT7 receptor expressed in CHO-K1 cells incubated for 40 mins in presence of serotonin by liquid scintillation counter
50006873	3	ChEMBL_1813998 (CHEMBL4313572)	Binding affinity to 5HT7 receptor (unknown origin) assessed as inhibitory constant
50006873	4	ChEMBL_1813999 (CHEMBL4313573)	Displacement of [3H]-HT from human 5HT7 receptor expressed in CHO cells
50006874	1	ChEMBL_1814000 (CHEMBL4313574)	Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GTP by DAPI staining based fluorescence assay
50006874	2	ChEMBL_1814005 (CHEMBL4313579)	Inhibition of [3H] colchicine binding to bovine brain tubulin incubated for 30 mins by scintillation proximity assay
50006877	1	ChEMBL_1814066 (CHEMBL4313640)	Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method
50006878	1	ChEMBL_1814073 (CHEMBL4313647)	Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assay
50006878	2	ChEMBL_1814072 (CHEMBL4313646)	Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assay
50006878	3	ChEMBL_1814074 (CHEMBL4313648)	Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assay
50006878	4	ChEMBL_1814075 (CHEMBL4313649)	Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assay
50006879	1	ChEMBL_1814076 (CHEMBL4313650)	Inhibition of ovine COX-1 by EIA method
50006879	2	ChEMBL_1814077 (CHEMBL4313651)	Inhibition of human recombinant COX-2 by EIA method
50006879	3	ChEMBL_1814080 (CHEMBL4313654)	Inhibition of recombinant human GST-tagged EGFR catalytic domain (668 to 1210 residues) expressed in baculovirus expression system using TK-biotin peptide as substrate measured after 10 mins by HTRF assay
50006882	1	ChEMBL_1814126 (CHEMBL4313700)	Agonist activity at GABA alpha1beta2gamma2 receptor in human HEK293T at -50 mV holding potential by whole cell voltage clamp assay
50006884	1	ChEMBL_1814180 (CHEMBL4313754)	Inhibition of recombinant human Cdc25A using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based assay
50006884	2	ChEMBL_1814178 (CHEMBL4313752)	Inhibition of recombinant human Cdc25C using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based assay
50006884	3	ChEMBL_1814179 (CHEMBL4313753)	Inhibition of recombinant human Cdc25B using OMFP as substrate preincubated for 5 to 8 mins and measured every 5 mins 60 mins by fluorescence based assay
50006885	1	ChEMBL_1814190 (CHEMBL4313764)	Inhibition of pig brain tubulin polymerization by spectrophotometric method
50006886	1	ChEMBL_1814241 (CHEMBL4313815)	Binding affinity to bovine serum albumin by fluorescence based assay
50006886	2	ChEMBL_1814240 (CHEMBL4313814)	Binding affinity to human serum albumin by fluorescence based assay
50006887	1	ChEMBL_1814377 (CHEMBL4313951)	Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50006887	2	ChEMBL_1814380 (CHEMBL4313954)	Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50006887	3	ChEMBL_1814379 (CHEMBL4313953)	Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50006887	4	ChEMBL_1814378 (CHEMBL4313952)	Inhibition of human carbonic anhydrase 1 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50006888	1	ChEMBL_1814503 (CHEMBL4314077)	Inhibition of recombinant N-terminal GST-tagged human FAK (327 to 1052 residues) expressed in baculovirus expression system using TK as substrate incubated for 50 mins in presence of ATP and measured after 1 hr by HTRF assay
50006889	1	ChEMBL_1814595 (CHEMBL4314169)	Binding affinity to MKK7 (unknown origin) expressed in HEK293 cells assessed as dissociation constant by kinomescan method
50006889	2	ChEMBL_1814594 (CHEMBL4314168)	Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay
50006889	3	ChEMBL_1814596 (CHEMBL4314170)	Inhibition of recombinant Cdc25B (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay
50006889	4	ChEMBL_1814597 (CHEMBL4314171)	Inhibition of recombinant HNE (unknown origin) using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin, as a substrate measured every 30 sec for 10 mins by fluorometric assay
50006890	1	ChEMBL_1814623 (CHEMBL4314197)	Inhibition of human activated Factor X using S-2765 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	2	ChEMBL_1814629 (CHEMBL4314203)	Inhibition of human trypsin using S-2222 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	3	ChEMBL_1814630 (CHEMBL4314204)	Inhibition of human chymotrypsin using S-2586 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	4	ChEMBL_1814631 (CHEMBL4314205)	Inhibition of human tPA using S-2586 as spectrozyme tPA substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	5	ChEMBL_1814626 (CHEMBL4314200)	Inhibition of human activated Factor XII using spectrozyme F XIIa as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	6	ChEMBL_1814625 (CHEMBL4314199)	Inhibition of human activated Factor VII using S-2288 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	7	ChEMBL_1814627 (CHEMBL4314201)	Inhibition of human activated Factor IX using spectrozyme F IXa as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	8	ChEMBL_1814624 (CHEMBL4314198)	Inhibition of human activated Factor XI using S-2366 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	9	ChEMBL_1814632 (CHEMBL4314206)	Inhibition of human uPA using S-2586 as spectrozyme uPA substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006890	10	ChEMBL_1814628 (CHEMBL4314202)	Inhibition of human kallikrein using spectrozyme F IXa as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chromogenic assay
50006891	1	ChEMBL_1814694 (CHEMBL4314268)	Inhibition of equine butyrylcholinesterase using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50006891	2	ChEMBL_1814695 (CHEMBL4314269)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50006891	3	ChEMBL_1814691 (CHEMBL4314265)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence based assay
50006891	4	ChEMBL_1814690 (CHEMBL4314264)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence based assay
50006891	5	ChEMBL_1814688 (CHEMBL4314262)	Inhibition of human AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50006891	6	ChEMBL_1814686 (CHEMBL4314260)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50006891	7	ChEMBL_1814661 (CHEMBL4314235)	Inhibition of MAO-B (unknown origin)
50006891	8	ChEMBL_1814660 (CHEMBL4314234)	Inhibition of BuChE (unknown origin)
50006891	9	ChEMBL_1814663 (CHEMBL4314237)	Inhibition of Electric eel AChE
50006892	1	ChEMBL_1814719 (CHEMBL4314293)	Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb = 151.7 +/- 5 uM)
50006892	2	ChEMBL_1814724 (CHEMBL4314298)	Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb = 69.3 +/- 3.9 uM)
50006892	3	ChEMBL_1814723 (CHEMBL4314297)	Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rvb = 69.3 +/- 3.9 uM)
50006892	4	ChEMBL_1814720 (CHEMBL4314294)	Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rvb = 151.7 +/- 5 uM)
50006893	1	ChEMBL_1814793 (CHEMBL4314367)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method
50006893	2	ChEMBL_1814792 (CHEMBL4314366)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method
50006893	3	ChEMBL_1814791 (CHEMBL4314365)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method
50006893	4	ChEMBL_1814790 (CHEMBL4314364)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting method
50006893	5	ChEMBL_1814789 (CHEMBL4314363)	Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK293 cells membranes incubated for 30 mins by microbeta scintillation counting analysis
50006893	6	ChEMBL_1814788 (CHEMBL4314362)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting analysis
50006893	7	ChEMBL_1814787 (CHEMBL4314361)	Binding affinity to 5-HT2BR (unknown origin)
50006893	8	ChEMBL_1814799 (CHEMBL4314373)	Binding affinity to 5-HT2CR (unknown origin)
50006895	1	ChEMBL_1814826 (CHEMBL4314400)	Inhibition of human FBPase D127A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	2	ChEMBL_1814820 (CHEMBL4314394)	Inhibition of human FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	3	ChEMBL_1814818 (CHEMBL4314392)	Inhibition of human FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	4	ChEMBL_1814802 (CHEMBL4314376)	Inhibition of human FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	5	ChEMBL_1814829 (CHEMBL4314403)	Inhibition of human FBPase Y258A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	6	ChEMBL_1814828 (CHEMBL4314402)	Inhibition of human FBPase R254A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	7	ChEMBL_1814827 (CHEMBL4314401)	Inhibition of human FBPase R243A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	8	ChEMBL_1814825 (CHEMBL4314399)	Inhibition of human FBPase N125A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	9	ChEMBL_1814824 (CHEMBL4314398)	Inhibition of human FBPase S124A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	10	ChEMBL_1814822 (CHEMBL4314396)	Inhibition of human FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	11	ChEMBL_1814821 (CHEMBL4314395)	Inhibition of human FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	12	ChEMBL_1814816 (CHEMBL4314390)	Inhibition of human FBPase C128S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	13	ChEMBL_1814819 (CHEMBL4314393)	Inhibition of human FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	14	ChEMBL_1814817 (CHEMBL4314391)	Inhibition of human FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrophotometry
50006895	15	ChEMBL_1814803 (CHEMBL4314377)	Binding affinity to human FBPase expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 100 uM by UV-visible spectroscopy
50006897	1	ChEMBL_1814874 (CHEMBL4314448)	Inhibition of recombinant HCV genotype 1a NS5B polymerase coincubated with HCV international ribosome entry site template sequence containing nucleotide residues 21-371 of HCV 5'-untranslated Escherichia coli DNA polymerase I region incubated for 3 hrs by scintillation/luminescence counter method
50006898	1	ChEMBL_1814904 (CHEMBL4314478)	Inhibition of pig brain tubulin polymerization in presence of GTP by spectrophotometric analysis
50006899	1	ChEMBL_1815451 (CHEMBL4315025)	Inhibition of human NPP1 expressed in COS7 cell membranes using pNP-TMP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixon plot analysis
50006899	2	ChEMBL_1815463 (CHEMBL4315037)	Inhibition of full-length human NPP-1 expressed in baculovirus infected Sf9 cells using p-Nph5-TMP as substrate after 60 mins by colorimetric assay
50006901	1	ChEMBL_1815507 (CHEMBL4315081)	Inhibition of c-Kit (unknown origin)
50006901	2	ChEMBL_1815516 (CHEMBL4315090)	Inhibition of wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method
50006901	3	ChEMBL_1815523 (CHEMBL4315097)	Inhibition of FLT3 ITD mutant (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP assay
50006901	4	ChEMBL_1815522 (CHEMBL4315096)	Inhibition of wildtype FLT3 (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP assay
50006901	5	ChEMBL_1815524 (CHEMBL4315098)	Inhibition of FLT3 D835Y (unknown origin) using TAMRA-Src-tide as substrate measured after 1 hr in presence of ATP at its Km concentration by IMAP-FP assay
50006901	6	ChEMBL_1815503 (CHEMBL4315077)	Inhibition of FLT3 (unknown origin)
50006901	7	ChEMBL_1815502 (CHEMBL4315076)	Inhibition of FLT3 D835Y mutant (unknown origin)
50006901	8	ChEMBL_1815505 (CHEMBL4315079)	Inhibition of FGFR (unknown origin)
50006901	9	ChEMBL_1815508 (CHEMBL4315082)	Inhibition of human FLT3
50006901	10	ChEMBL_1815511 (CHEMBL4315085)	Inhibition of recombinant full length His-tagged human aurora A using peptide substrate in presence of ATP at its Km concentration by Z-lyte kinase assay
50006901	11	ChEMBL_1815512 (CHEMBL4315086)	Inhibition of recombinant human His-tagged VEGFR 2 expressed in baculovirus expression system
50006901	12	ChEMBL_1815513 (CHEMBL4315087)	Inhibition of recombinant human GST-tagged RET expressed in baculovirus expression system
50006901	13	ChEMBL_1815487 (CHEMBL4315061)	Inhibition of recombinant human His-tagged FMS expressed in baculovirus expression system
50006901	14	ChEMBL_1815517 (CHEMBL4315091)	Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method
50006901	15	ChEMBL_1815518 (CHEMBL4315092)	Inhibition of recombinant FMS (unknown origin)
50006901	16	ChEMBL_1815520 (CHEMBL4315094)	Inhibition of recombinant FLT3 ITD mutant (unknown origin)
50006901	17	ChEMBL_1815504 (CHEMBL4315078)	Inhibition of PDGFR beta (unknown origin)
50006901	18	ChEMBL_1815514 (CHEMBL4315088)	Inhibition of recombinant human full length His-tagged Src expressed in baculovirus expression system
50006901	19	ChEMBL_1815521 (CHEMBL4315095)	Inhibition of FL3 ITD mutant in human MV4-11 cells
50006901	20	ChEMBL_1815501 (CHEMBL4315075)	Inhibition of FLT3 ITD mutant (unknown origin) phosphorylation measured after 2 hrs by Western blot analysis
50006901	21	ChEMBL_1815509 (CHEMBL4315083)	Inhibition of FLT3 ITD mutant (unknown origin)
50006901	22	ChEMBL_1815515 (CHEMBL4315089)	Inhibition of recombinant human GST-tagged PDGFR alpha (550 to 1089 residues) expressed in baculovirus expression system
50006901	23	ChEMBL_1815519 (CHEMBL4315093)	Inhibition of recombinant c-kit (unknown origin)
50006901	24	ChEMBL_1815500 (CHEMBL4315074)	Inhibition of wildtype FLT3 (unknown origin) phosphorylation measured after 2 hrs by Western blot analysis
50006901	25	ChEMBL_1815510 (CHEMBL4315084)	Inhibition of FLT3 (unknown origin) autophosphorylation expressed in BaF3 cells
50006906	1	ChEMBL_1815576 (CHEMBL4315150)	Binding affinity to human ERG
50006907	1	ChEMBL_1815611 (CHEMBL4315185)	Inhibition of human HDAC6 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50006907	2	ChEMBL_1815612 (CHEMBL4315186)	Inhibition of human HDAC1 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50006907	3	ChEMBL_1815608 (CHEMBL4315182)	Inhibition of human HDAC2 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50006907	4	ChEMBL_1815587 (CHEMBL4315161)	Inhibition of human G9a using core histone H3 as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method
50006907	5	ChEMBL_1815662 (CHEMBL4315236)	Inhibition of G9a (unknown origin)
50006907	6	ChEMBL_1815665 (CHEMBL4315239)	Inhibition of human HDAC10 using Acetyl-Lys (trifluoroacetyl)-AMC) as substrate incubated for 2 hrs by fluorescence assay
50006907	7	ChEMBL_1815666 (CHEMBL4315240)	Inhibition of human HDAC11 using Acetyl-Lys (trifluoroacetyl)-AMC) as substrate incubated for 2 hrs by fluorescence assay
50006907	8	ChEMBL_1815597 (CHEMBL4315171)	Inhibition of human DNMT1 using Poly(dI-dC) as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method
50006907	9	ChEMBL_1815602 (CHEMBL4315176)	Inhibition of human HDAC8 using Arg-His-Lys (Ac)-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50006907	10	ChEMBL_1815663 (CHEMBL4315237)	Inhibition of human G9a using core histone H3 (1 to 21 residues) as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method
50006907	11	ChEMBL_1815634 (CHEMBL4315208)	Inhibition of HDAC1/2/3 in human KMS-12-BM cells assessed as increase in Ac-H3 level incubated for 24 hrs by Western blot analysis
50006907	12	ChEMBL_1815606 (CHEMBL4315180)	Inhibition of human HDAC3 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50006907	13	ChEMBL_1815596 (CHEMBL4315170)	Inhibition of human DNMT3a using lambda DNA as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method
50006908	1	ChEMBL_1815675 (CHEMBL4315249)	Inhibition of human recombinant LSD1 using fluorogenic ADHP as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence assay
50006908	2	ChEMBL_1815677 (CHEMBL4315251)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using luciferin derived luminogenic substrate measured after 20 mins by luminescence assay
50006908	3	ChEMBL_1815678 (CHEMBL4315252)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using luciferin derived luminogenic substrate measured after 20 mins by luminescence assay
50006909	1	ChEMBL_1815684 (CHEMBL4315258)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50006909	2	ChEMBL_1815682 (CHEMBL4315256)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50006909	3	ChEMBL_1815681 (CHEMBL4315255)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50006909	4	ChEMBL_1815683 (CHEMBL4315257)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50006909	5	ChEMBL_1815744 (CHEMBL4315318)	Inhibition of human recombinant CDK2/Cyclin E expressed in baculovirus infected Sf9 cells using histone H1 substrate in presence of [gamma33P]ATP
50006909	6	ChEMBL_1815743 (CHEMBL4315317)	Inhibition of human full length N-terminal GST-HIS6 fused CDK9 (M1 to F372 residues)/N-terminal HIS6-fused Cyclin-T1 (M1 to K726 residues) co-expressed in Sf9 cells using (YSPTSPS)2KK as substrate in presence of [gamma33P]ATP
50006909	7	ChEMBL_1815745 (CHEMBL4315319)	Inhibition of human recombinant carbonic anhydrase 9 by stopped flow CO2 hydration assay
50006909	8	ChEMBL_1815746 (CHEMBL4315320)	Inhibition of human recombinant carbonic anhydrase 12 by stopped flow CO2 hydration assay
50006910	1	ChEMBL_1815850 (CHEMBL4315424)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method
50006910	2	ChEMBL_1815851 (CHEMBL4315425)	Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membranes measured after 120 mins by solid scintillation counting method
50006911	1	ChEMBL_1815910 (CHEMBL4315484)	Inhibition of mushroom tyrosinase using L-dopa as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by photometric analysis
50006912	1	ChEMBL_1815920 (CHEMBL4315494)	Inhibition of human COX1 using arachidonic acid as substrate incubated for 2 mins by ELISA method
50006912	2	ChEMBL_1815921 (CHEMBL4315495)	Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method
50006912	3	ChEMBL_1815911 (CHEMBL4315485)	Inhibition of EGFR (unknown origin)
50006912	4	ChEMBL_1815948 (CHEMBL4315522)	Inhibition of CDK2 (unknown origin) incubated for 40 mins by ADP-glo assay
50006913	1	ChEMBL_1815979 (CHEMBL4315553)	Activation of NRF2 in human U2OS cells co-expressing Keap1 (unknown origin) assessed as induction of NRF2 translocation to nucleus incubated for 6 hrs by beta-galactosidase based chemiluminescent assay
50006914	1	ChEMBL_1816033 (CHEMBL4315607)	Reactivation of POX-inhibited human recombinant AChE assessed as dissociation rate constant using ATC as substrate incubated for 60 mins followed by substrate addition by Ellman's method based spectrophotometry
50006916	1	ChEMBL_1816088 (CHEMBL4315662)	Bioactivation in CYP1A1 (unknown origin) transfected CHO cells assessed as CYP1A1-mediated drug activation by measuring reduction in cell viability
50006917	1	ChEMBL_1816233 (CHEMBL4315807)	Inhibition of DPP4 in human serum assessed as decrease in p-nitroaniline formation using Gly-Pro-p-nitroanilide as substrate preincubated for 5 mins followed by incubation with substrate for 15 mins by microplate reader analysis
50006918	1	ChEMBL_1816244 (CHEMBL4315818)	Inhibition of wildtype EGFR (unknown origin) using biotin as substrate in presence of ATP by mobility shift assay based ELISA
50006918	2	ChEMBL_1816245 (CHEMBL4315819)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) using biotin as substrate in presence of ATP by mobility shift assay based ELISA
50006919	1	ChEMBL_1816328 (CHEMBL4315902)	Inhibition of recombinant rat FTase expressed in Escherichia coli using dansyl-GCVLS as substrate after 1.5 hrs by spectrofluorimetric analysis
50006919	2	ChEMBL_1816325 (CHEMBL4315899)	Inhibition of recombinant rat RabGGTase expressed in Escherichia coli using Rab7 as substrate and [3H]geranylgeranyl pyrophosphate after 20 mins by liquid scintillation analysis
50006919	3	ChEMBL_1816330 (CHEMBL4315904)	Inhibition of GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by liquid scintillation counting method
50006919	4	ChEMBL_1816329 (CHEMBL4315903)	Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by liquid scintillation counting method
50006919	5	ChEMBL_1816326 (CHEMBL4315900)	Inhibition of recombinant rat GGtase-1 expressed in Escherichia coli using dansyl-GCVLL as substrate after 1.5 hrs by spectrofluorimetric analysis
50006919	6	ChEMBL_1816361 (CHEMBL4315935)	Inhibition of FDPS (unknown origin)
50006921	1	ChEMBL_1816376 (CHEMBL4315950)	Inhibition of human ERG
50006921	2	ChEMBL_1816423 (CHEMBL4315997)	Inhibition of Pseudomonas aeruginosa LasR
50006923	1	ChEMBL_1816450 (CHEMBL4316024)	Inhibition of Influenza A virus A/Anhui/1/2005(H5N1) Neuraminidase using MU-NANA as substrate preincubated for 5 to 15 mins followed by substrate addition and measured after 30 mins by fluorescence based assay relative to control
50006923	2	ChEMBL_1816451 (CHEMBL4316025)	Inhibition of Influenza A virus A/WSN/1933(H1N1) Neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by spectrofluorometry relative to control
50006925	1	ChEMBL_1816464 (CHEMBL4316038)	Activation of recombinant human GABA receptor alpha1beta2gamma2 expressed in CHO cells in presence of GABA and measured for 120 secs by FMP dye based FLIPR assay
50006925	2	ChEMBL_1816465 (CHEMBL4316039)	Positive allosteric modulation of recombinant human GABA receptor alpha1beta2gamma2 expressed in CHO cells at 30 uM in presence of GABA and measured for 120 secs by FMP dye based FLIPR assay (Rvb = 0.25 +/- 0.03 uM)
50006930	1	ChEMBL_1816523 (CHEMBL4316097)	Inhibition of human microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition by spectrophotometric analysis
50006930	2	ChEMBL_1816522 (CHEMBL4316096)	Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition by spectrophotometric analysis
50006930	3	ChEMBL_1816517 (CHEMBL4316091)	Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramine as substrate preincubated with substrate at varying concentrations for 10 mins followed by enzyme addition by Lineweaver-Burk plot analysis
50006933	1	ChEMBL_1816574 (CHEMBL4316148)	Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assay
50006933	2	ChEMBL_1816576 (CHEMBL4316150)	Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay
50006933	3	ChEMBL_1816575 (CHEMBL4316149)	Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay
50006933	4	ChEMBL_1816577 (CHEMBL4316151)	Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay
50006935	1	ChEMBL_1816700 (CHEMBL4316274)	Inhibition of GST-tagged BRD4 BD1 (49 to 170 residues) (unknown origin) using streptavidin-D2 biotinylated tetra-acetylated histone H4 peptide as substrate after 1.5 hrs by FRET assay
50006935	2	ChEMBL_1816701 (CHEMBL4316275)	Binding affinity to BRD4 BD1 (unknown origin) by ITC analysis
50006937	1	ChEMBL_1816752 (CHEMBL4316326)	Inhibition of aromatase in human MCF-7aro cells using [1beta-3H] androstenedione as substrate incubated for 1 hr by liquid scintillation counting method
50006937	2	ChEMBL_1816742 (CHEMBL4316316)	Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorimetric assay
50006939	1	ChEMBL_1816797 (CHEMBL4316371)	Binding affinity to biotin-labeled GST-tagged NAE (unknown origin) incubated for 1 hr by SPR assay
50006940	1	ChEMBL_1816833 (CHEMBL4316407)	Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for 5 to 10 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50006941	1	ChEMBL_1816839 (CHEMBL4316413)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis
50006941	2	ChEMBL_1816840 (CHEMBL4316414)	Displacement of [3H]-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by microbeta plate reader analysis
50006941	3	ChEMBL_1816841 (CHEMBL4316415)	Displacement of [3H]-raclopride from human D2R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis
50006941	4	ChEMBL_1816838 (CHEMBL4316412)	Binding affinity to human 5-HT2AR expressed in HEK293 cells by competitive binding assay
50006941	5	ChEMBL_1816864 (CHEMBL4316438)	Binding affinity to 5-HT6R (unknown origin) assessed as inhibitory constant
50006941	6	ChEMBL_1816837 (CHEMBL4316411)	Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells after 1 hr by microbeta plate reader analysis
50006941	7	ChEMBL_1816858 (CHEMBL4316432)	Inhibition of human CYP3A4 preincubated for 5 mins followed by NADPH addition and measured after 30 mins by luminescence based microplate reader analysis
50006941	8	ChEMBL_1816859 (CHEMBL4316433)	Inhibition of human CYP2D6 preincubated for 5 mins followed by NADPH addition and measured after 45 mins by luminescence based microplate reader analysis
50006942	1	ChEMBL_1816866 (CHEMBL4316440)	Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50006943	1	ChEMBL_1816897 (CHEMBL4316471)	Inhibition of recombinant wild type HIV-1 His-tagged reverse transcriptase p66/p51 expressed in Escherichia coli JM109 using poly(rA)/oligo(dT)16 as template/primer incubated for 40 mins by pico-green based spectrofluorometric analysis
50006944	1	ChEMBL_1816921 (CHEMBL4316495)	Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	2	ChEMBL_1816920 (CHEMBL4316494)	Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	3	ChEMBL_1816914 (CHEMBL4316488)	Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	4	ChEMBL_1816907 (CHEMBL4316481)	Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	5	ChEMBL_1816901 (CHEMBL4316475)	Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	6	ChEMBL_1816898 (CHEMBL4316472)	Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	7	ChEMBL_1816899 (CHEMBL4316473)	Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	8	ChEMBL_1816900 (CHEMBL4316474)	Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	9	ChEMBL_1816904 (CHEMBL4316478)	Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	10	ChEMBL_1816902 (CHEMBL4316476)	Binding affinity to recombinant human carbonic anhydrase 5a expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	11	ChEMBL_1816903 (CHEMBL4316477)	Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	12	ChEMBL_1816906 (CHEMBL4316480)	Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	13	ChEMBL_1816908 (CHEMBL4316482)	Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	14	ChEMBL_1816909 (CHEMBL4316483)	Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	15	ChEMBL_1816905 (CHEMBL4316479)	Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as observed dissociation constant fluorescent thermal shift assay
50006944	16	ChEMBL_1816910 (CHEMBL4316484)	Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	17	ChEMBL_1816911 (CHEMBL4316485)	Binding affinity to recombinant human carbonic anhydrase 2 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	18	ChEMBL_1816912 (CHEMBL4316486)	Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	19	ChEMBL_1816913 (CHEMBL4316487)	Binding affinity to recombinant human carbonic anhydrase 4 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	20	ChEMBL_1816915 (CHEMBL4316489)	Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	21	ChEMBL_1816916 (CHEMBL4316490)	Binding affinity to recombinant human carbonic anhydrase 6 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	22	ChEMBL_1816917 (CHEMBL4316491)	Binding affinity to recombinant human carbonic anhydrase 7 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	23	ChEMBL_1816918 (CHEMBL4316492)	Binding affinity to recombinant human carbonic anhydrase 9 expressed in mammalian cell expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006944	24	ChEMBL_1816919 (CHEMBL4316493)	Binding affinity to recombinant human carbonic anhydrase 12 expressed in Escherichia coli expression system assessed as kinetic dissociation constant fluorescent thermal shift assay
50006945	1	ChEMBL_1816947 (CHEMBL4316521)	Inhibition of RIPK2 in MDP-stimulated human whole blood assessed as TNF-alpha level preincubated for 30 mins followed by MDP stimulation and measured after 6 hrs by immunoassay
50006945	2	ChEMBL_1816948 (CHEMBL4316522)	Inhibition of full length GST-tagged ALK5 (unknown origin) expressed in baculovirus expression system incubated for 2 mins by fluorescent polarization assay
50006945	3	ChEMBL_1816946 (CHEMBL4316520)	Inhibition of full length FLAG/His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system after 10 mins by fluorescent polarization assay
50006945	4	ChEMBL_1816949 (CHEMBL4316523)	Inhibition of GST-6His-tagged VEGFR2 (unknown origin) using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 peptide as substrate after 90 mins by HTRF assay
50006945	5	ChEMBL_1816950 (CHEMBL4316524)	Inhibition of full length His-Tev-tagged LCK (unknown origin) expressed in baculovirus expression system using Tamra-p34cdc2-derived peptide as substrate after 1 hr by IMAP based fluorescent polarization assay
50006946	1	ChEMBL_1816965 (CHEMBL4316539)	Corrector activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells measured after 18 to 24 hrs by HRP based luminescence assay
50006946	2	ChEMBL_1816961 (CHEMBL4316535)	Corrector activity at forskolin-stimulated CFTR F508del mutant in human NHBE cells after 18 to 24 hrs in presence of GLPG1873 by voltage-clamp based assay
50006946	3	ChEMBL_1816963 (CHEMBL4316537)	Corrector activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells measured at 18 to 24 hrs in presence of 3-((2R,4S)-4-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-7-methoxychroman-2-yl)benzoic acid by HRP based luminescence assay
50006947	1	ChEMBL_1816968 (CHEMBL4316542)	Agonist activity at TrkB (unknown origin) in expressed in U2OS cells incubated for 3 hrs and measured after 60 hrs in presence of BDNF by fluorescence complementation assay
50006947	2	ChEMBL_1816967 (CHEMBL4316541)	Agonist activity at TrkC (unknown origin) in expressed in U2OS cells incubated for 3 hrs and measured after 60 hrs in presence of NT-3 by fluorescence complementation assay
50006947	3	ChEMBL_1816970 (CHEMBL4316544)	Agonist activity at IGF1R (unknown origin) in expressed in HEK293 cells incubated for 3 hrs and measured after 60 hrs in presence of IGF-1 by fluorescence complementation assay
50006947	4	ChEMBL_1816966 (CHEMBL4316540)	Agonist activity at TrkA (unknown origin) in expressed in U2OS cells incubated for 3 hrs and measured after 60 hrs in presence of NGF by fluorescence complementation assay
50006947	5	ChEMBL_1816969 (CHEMBL4316543)	Agonist activity at FGFR1 (unknown origin) in expressed in U2OS cells incubated for 3 hrs and measured after 60 hrs in presence of (bFGF(FGF-2))by fluorescence complementation assay
50006948	1	ChEMBL_1816972 (CHEMBL4316546)	Inhibition of JMJD6 in human HeLa cells assessed as decrease in cell proliferation measured after 72 hrs by CellTiter 96 AQueous one solution cell proliferation assay
50006948	2	ChEMBL_1816973 (CHEMBL4316547)	Inhibition of JMJD6 in human SMCC7721 cells assessed as decrease in cell proliferation measured after 72 hrs by CellTiter 96 AQueous one solution cell proliferation assay
50006948	3	ChEMBL_1816974 (CHEMBL4316548)	Inhibition of His-tagged JMJD6 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as decrease in demethylase activity by measuring release of formaldehyde using core histone as substrate preincubated with enzyme for 10 mins followed by incubation with substrate for 1 hr measured following 2 hrs incubation with ammonium acetate/acetoacetanilide by fluorescence based analysis
50006953	1	ChEMBL_1816983 (CHEMBL4316557)	Inhibition of Influenza A virus H1N1 neuraminidase using MU-NANA as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50006954	1	ChEMBL_1816986 (CHEMBL4316560)	Inhibition of BRD4 bromodomain1 (unknown origin) using peptide H4 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by alphascreen assay
50006954	2	ChEMBL_1816987 (CHEMBL4316561)	Inhibition of BRD4 bromodomain2 (unknown origin) using peptide H4 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by alphascreen assay
50006955	1	ChEMBL_1817032 (CHEMBL4316692)	Inhibition of human Quinone oxidoreductase
50006955	2	ChEMBL_1817056 (CHEMBL4316716)	Inhibition of erbB1 (unknown origin) using FRET-capable peptide substrate by FRET assay
50006955	3	ChEMBL_1817031 (CHEMBL4316691)	Inhibition of Escherichia coli nitroreductase expressed in human HCT116 cells
50006957	1	ChEMBL_1817315 (CHEMBL4316975)	Inhibition of human topoisomerase-2alpha using catenated DNA as substrate after 30 mins by ethidium bromide-based gel electrophoresis
50006957	2	ChEMBL_1817316 (CHEMBL4316976)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using relaxed pHOT-1 DNA as substrate after 60 mins by ethidium bromide-based gel electrophoresis
50006957	3	ChEMBL_1817309 (CHEMBL4316969)	Inhibition of human ERG expressed in CHO cells in at -80 mV holding potential by automated Qpatch clamp assay
50006957	4	ChEMBL_1817311 (CHEMBL4316971)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006957	5	ChEMBL_1817312 (CHEMBL4316972)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006957	6	ChEMBL_1817314 (CHEMBL4316974)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006957	7	ChEMBL_1817313 (CHEMBL4316973)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006957	8	ChEMBL_1817310 (CHEMBL4316970)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006957	9	ChEMBL_1817273 (CHEMBL4316933)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured for 15 mins by LC-MS/MS analysis
50006958	1	ChEMBL_1817339 (CHEMBL4316999)	Inhibition of recombinant human PIM1 using FAM-pimtide as substrate after 90 mins by Z-LYTE assay
50006958	2	ChEMBL_1817341 (CHEMBL4317001)	Inhibition of recombinant human PIM3 using FAM-pimtide as substrate after 90 mins by Z-LYTE assay
50006958	3	ChEMBL_1817340 (CHEMBL4317000)	Inhibition of recombinant human PIM2 using FAM-pimtide as substrate after 90 mins by Z-LYTE assay
50006958	4	ChEMBL_1817365 (CHEMBL4317025)	Antagonist activity at 5HT1A receptor (unknown origin)
50006958	6	ChEMBL_1817350 (CHEMBL4317010)	Reversible inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50006958	7	ChEMBL_1817349 (CHEMBL4317009)	Reversible inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50006958	8	ChEMBL_1817351 (CHEMBL4317011)	Time dependent inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50006958	9	ChEMBL_1817361 (CHEMBL4317021)	Antagonist activity at alpha 1a adrenergic receptor (unknown origin)
50006958	10	ChEMBL_1817364 (CHEMBL4317024)	Inhibition of dopamine receptor (unknown origin)
50006958	11	ChEMBL_1817366 (CHEMBL4317026)	Agonist activity at 5HT1A receptor (unknown origin)
50006958	12	ChEMBL_1817411 (CHEMBL4317071)	Inhibition of GSK3beta in human human MM1S cells
50006958	13	ChEMBL_1817367 (CHEMBL4317027)	Inhibition of human ERG expressed in HEK293 cells after 5 mins by patch clamp assay
50006960	1	ChEMBL_1820817 (CHEMBL4320477)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition for 30 mins and measured at 5 mins interval for 30 mins
50006960	2	ChEMBL_1820816 (CHEMBL4320476)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate preincubated for 30 mins followed by substrate addition for 45 mins and measured at 5 mins interval for 30 mins
50006960	3	ChEMBL_1820821 (CHEMBL4320481)	Inhibition of recombinant PTP1B catalytic domain (unknown origin) using pNPP as substrate
50006961	1	ChEMBL_1821170 (CHEMBL4320830)	Inhibition of bovine brain tubulin polymerization after 20 mins by spectrophotometric analysis
50006964	1	ChEMBL_1821218 (CHEMBL4320878)	Inhibition of mGLU5 (unknown origin)
50006964	2	ChEMBL_1821221 (CHEMBL4320881)	Binding affinity to p38alpha (unknown origin)
50006964	3	ChEMBL_1821219 (CHEMBL4320879)	Inhibition of MEK1 (unknown origin)
50006964	4	ChEMBL_1821217 (CHEMBL4320877)	Inhibition of PIM1 (unknown origin)
50006964	5	ChEMBL_1821222 (CHEMBL4320882)	Binding affinity to SYK (unknown origin)
50006964	6	ChEMBL_1821225 (CHEMBL4320885)	Binding affinity to KIT (unknown origin)
50006964	7	ChEMBL_1821226 (CHEMBL4320886)	Binding affinity to CSF1R (unknown origin)
50006964	8	ChEMBL_1821224 (CHEMBL4320884)	Binding affinity to LCK (unknown origin)
50006964	9	ChEMBL_1821228 (CHEMBL4320888)	Binding affinity to ABL1 (unknown origin)
50006964	10	ChEMBL_1821227 (CHEMBL4320887)	Binding affinity to ABL2 (unknown origin)
50006964	11	ChEMBL_1821220 (CHEMBL4320880)	Binding affinity to cSRC (unknown origin)
50006964	12	ChEMBL_1821229 (CHEMBL4320889)	Binding affinity to DDR1 (unknown origin)
50006965	1	ChEMBL_1821275 (CHEMBL4320935)	Agonist activity at human muscarinic M1 receptor expressed in HEK293T cells co-expressing Galpha subunit and PLC-beta3 by split luciferase complementation assay
50006965	2	ChEMBL_1821274 (CHEMBL4320934)	Displacement of [3H]-QNB from muscarinic receptor in rat brain membranes incubated for 45 mins under dark conditions by radioligand binding assay
50006965	3	ChEMBL_1821278 (CHEMBL4320938)	Displacement of [3H]-QNB from muscarinic receptor in rat brain membranes incubated for 45 mins under irradiation exposure at 365 nm by radioligand binding assay
50006966	1	ChEMBL_1821328 (CHEMBL4320988)	Binding affinity to His-tagged BLM M1111A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50006966	2	ChEMBL_1821297 (CHEMBL4320957)	Inhibition of 5'-biotin labeled duplex forked-DNA binding to BLM (unknown origin) assessed as increase in unbound DNA levels after 1 hr by ELISA
50006966	3	ChEMBL_1821325 (CHEMBL4320985)	Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50006966	4	ChEMBL_1821330 (CHEMBL4320990)	Binding affinity to His-tagged BLM E1143A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50006966	5	ChEMBL_1821295 (CHEMBL4320955)	Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in BLM helicase unwinding activity using 5'-biotin labeled forked-DNA as substrate after 1 hr by PAGE analysis
50006966	6	ChEMBL_1821329 (CHEMBL4320989)	Binding affinity to His-tagged BLM I1168A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50006966	7	ChEMBL_1821326 (CHEMBL4320986)	Binding affinity to His-tagged BLM Y995A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50006969	1	ChEMBL_1821332 (CHEMBL4320992)	Inhibition of human KLK5 assessed as reduction in enzyme activity
50006969	2	ChEMBL_1821334 (CHEMBL4320994)	Inhibition of human KLK7 assessed as reduction in enzyme activity
50006969	3	ChEMBL_1821336 (CHEMBL4320996)	Inhibition of trypsin (unknown origin) assessed as reduction in enzyme activity
50006972	1	ChEMBL_1821339 (CHEMBL4320999)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 15 mins by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50006972	2	ChEMBL_1821340 (CHEMBL4321000)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 15 mins by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50006973	1	ChEMBL_1821342 (CHEMBL4321002)	Displacement of [3H]-ifenprodil from NR2B receptor in rat brain cerebral cortex membranes incubated for 120 mins by liquid scintillation counting method
50006973	2	ChEMBL_1821343 (CHEMBL4321003)	Antagonist activity at mouse NR2B receptor expressed in HEK293 cells co-expressing NR1 subunit assessed as reduction in glutamic acid/glycine-induced calcium ion influx by fluorescence based assay
50006974	1	ChEMBL_1821413 (CHEMBL4321073)	Modulation of recombinant wild type GABAA receptor alpha1beta2gamma2S (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-evoked chloride current at -70 mV holding potential by two-microelectrode voltage clamp assay
50006975	1	ChEMBL_1821474 (CHEMBL4321134)	Inhibition of ERAP2 (unknown origin)
50006975	2	ChEMBL_1821480 (CHEMBL4321140)	Inhibition of human MMP12 by photoaffinity probe based assay
50006975	3	ChEMBL_1821467 (CHEMBL4321127)	Inhibition of porcine APN
50006975	4	ChEMBL_1821471 (CHEMBL4321131)	Inhibition of Plasmodium falciparum LAP
50006975	5	ChEMBL_1821470 (CHEMBL4321130)	Inhibition of porcine LAP
50006975	6	ChEMBL_1821472 (CHEMBL4321132)	Inhibition of human MMP12
50006975	7	ChEMBL_1821473 (CHEMBL4321133)	Inhibition of ERAP1 (unknown origin)
50006975	8	ChEMBL_1821475 (CHEMBL4321135)	Inhibition of human IRAP using L-leucine 7-amido-4-methyl coumarin substrate by microplate fluorescence reader based assay
50006975	9	ChEMBL_1821476 (CHEMBL4321136)	Inhibition of human recombinant LTA4H by L-(4-benzoyl)phenylalanyl-beta-naphthylamide fluorigenic substrate by fluorescence based assay
50006975	10	ChEMBL_1821477 (CHEMBL4321137)	Inhibition of human MMP2 by photoaffinity probe based assay
50006975	11	ChEMBL_1821478 (CHEMBL4321138)	Inhibition of human MMP8 by photoaffinity probe based assay
50006975	12	ChEMBL_1821481 (CHEMBL4321141)	Inhibition of human MMP13 by photoaffinity probe based assay
50006975	13	ChEMBL_1821479 (CHEMBL4321139)	Inhibition of human MMP9 by photoaffinity probe based assay
50006977	1	ChEMBL_1821483 (CHEMBL4321143)	Inhibition of topoisomerase 2 in human HeLa cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006977	2	ChEMBL_1821482 (CHEMBL4321142)	Inhibition of topoisomerase 2 in human HepG2 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006977	3	ChEMBL_1821487 (CHEMBL4321147)	Inhibition of topoisomerase 2 in human MDA-MB-231 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006977	4	ChEMBL_1821484 (CHEMBL4321144)	Inhibition of topoisomerase 2 in human A549 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006977	5	ChEMBL_1821485 (CHEMBL4321145)	Inhibition of topoisomerase 2 in human CNE1 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006977	6	ChEMBL_1821486 (CHEMBL4321146)	Inhibition of topoisomerase 2 in human MCF7 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50006979	1	ChEMBL_1821565 (CHEMBL4321225)	Inhibition of recombinant human LSD1 using ARTK(diMethyl)QTARKSTGGKAPRKQLAPRKQLA as substrate measured after 30 mins by ADHP/horseradish peroxidase coupled fluorescence assay
50006979	2	ChEMBL_1821570 (CHEMBL4321230)	Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL measured after 30 mins by Amplex red dye based fluorescence assay
50006979	3	ChEMBL_1821580 (CHEMBL4321240)	Inhibition of recombinant human Ero1Lalpha C104A/C131A/C166A triple mutant (22 to 468 residues) expressed in Escherichia coli BL21(DE3)-RIL using human PDI as substrate measured after 30 mins by Amplex red dye based fluorescence assay
50006979	4	ChEMBL_1821567 (CHEMBL4321227)	Inhibition of MAOA (unknown origin) using kynuramine as substrate
50006979	5	ChEMBL_1821566 (CHEMBL4321226)	Inhibition of MAOB (unknown origin) using kynuramine as substrate
50006980	1	ChEMBL_1821701 (CHEMBL4321361)	Inhibition of Kinase Tracer 178 binding to biotinylated-BTK (unknown origin) measured after 18 to 24 hrs by Europium-labeled Streptavidin conjugate based TR-FRET assay
50006980	2	ChEMBL_1821702 (CHEMBL4321362)	Inhibition of BTK in goat F(ab')2 anti-human IgM-stimulated human whole blood assessed as suppression of CD69 expression on B cells pretreated for 30 mins followed by goat F(ab')2 anti-human IgM-stimulation and measured after 20 hrs by flow cytometry
50006981	1	ChEMBL_1821713 (CHEMBL4321373)	Inhibition of human BTK expressed in Sf9 cells using FAM-Srctide peptide substrate incubated for 60 mins by TR-FRET Lantha-screen assay
50006982	1	ChEMBL_1821758 (CHEMBL4321418)	Inhibition of FP-rhodamine probe binding to ABHD6 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measured after 30 mins by SDS-PAGE based fluorescence assay
50006982	2	ChEMBL_1821759 (CHEMBL4321419)	Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measured after 30 mins by SDS-PAGE based fluorescence assay
50006982	3	ChEMBL_1821756 (CHEMBL4321416)	Inhibition of FP-rhodamine probe binding to FAAH in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measured after 30 mins by SDS-PAGE based fluorescence assay
50006982	4	ChEMBL_1821757 (CHEMBL4321417)	Inhibition of FP-rhodamine probe binding to MGLL in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and measured after 30 mins by SDS-PAGE based fluorescence assay
50006984	1	ChEMBL_1821768 (CHEMBL4321428)	Binding affinity to NOD1 LRR domain (unknown origin)
50006984	2	ChEMBL_1821769 (CHEMBL4321429)	Binding affinity to jackfruit jacalin by SPR assay
50006984	3	ChEMBL_1821770 (CHEMBL4321430)	Binding affinity to human NOD2 LRR domain expressed in Escherichia coli by SPR assay
50006985	1	ChEMBL_1821776 (CHEMBL4321436)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by spectrophotometry based Ellman's method
50006985	2	ChEMBL_1821779 (CHEMBL4321439)	Mixed type inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by Ellman's method based Lineweaver-Burk plot analysis
50006985	3	ChEMBL_1821777 (CHEMBL4321437)	Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by spectrophotometry based Ellman's method
50006985	4	ChEMBL_1821787 (CHEMBL4321447)	Inhibition of BACE1 (unknown origin) expressed in baculovirus-expression system using Rh-EVNLDAEFK-Quencher substrate by FRET assay
50006985	5	ChEMBL_1821782 (CHEMBL4321442)	Binding affinity to BChE (unknown origin) assessed as reduction in intrinsic protein fluorescence at 25 degC by fluorescence spectrophotometry
50006985	6	ChEMBL_1821781 (CHEMBL4321441)	Binding affinity to AChE (unknown origin) assessed as reduction in intrinsic protein fluorescence at 25 degC by fluorescence spectrophotometry
50006985	7	ChEMBL_1821780 (CHEMBL4321440)	Competitive type inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method based Lineweaver-Burk plot analysis
50006987	1	ChEMBL_1821789 (CHEMBL4321449)	Inhibition of PTP1B (unknown origin) using pNPP as substrate
50006987	2	ChEMBL_1821794 (CHEMBL4321454)	Inhibition of TCPTP (unknown origin) using pNPP as substrate
50006987	3	ChEMBL_1821795 (CHEMBL4321455)	Inhibition of CDC25B (unknown origin) using pNPP as substrate
50006987	4	ChEMBL_1821793 (CHEMBL4321453)	Competitive type inhibition of PTP1B (unknown origin) using pNPP as substrate by Lineweaver-Burk plot analysis
50006987	5	ChEMBL_1821799 (CHEMBL4321459)	Inhibition of SHP1 (unknown origin) using pNPP as substrate
50006987	6	ChEMBL_1821801 (CHEMBL4321461)	Inhibition of SHP2 (unknown origin) using pNPP as substrate
50006987	7	ChEMBL_1821796 (CHEMBL4321456)	Inhibition of LAR (unknown origin) using pNPP as substrate
50006988	1	ChEMBL_1821805 (CHEMBL4321465)	Inhibition of human ACAT1
50006988	2	ChEMBL_1821803 (CHEMBL4321463)	Inhibition of mouse DGAT1
50006988	3	ChEMBL_1821802 (CHEMBL4321462)	Inhibition of human DGAT1
50006989	1	ChEMBL_1821908 (CHEMBL4321568)	Inverse agonist activity at GPR55 in human MDA-MB-231 cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay
50006992	1	ChEMBL_1821937 (CHEMBL4321597)	Inhibition of HK2 (unknown origin) using glucose-6-phosphate dehydrogenase as substrate preincubated for 10 mins followed by substrate addition
50006996	1	ChEMBL_1822044 (CHEMBL4321704)	Binding affinity to recombinant human RXRalpha LBD (592 to 1386 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence quenching assay
50006997	1	ChEMBL_1822222 (CHEMBL4321986)	Inhibition of GLI1/GLI2 in mouse Shh Light2 cells assessed as reduction in endogenous hedgehog signalling in presence of Smo agonist SAG by luciferase reporter gene assay
50006997	2	ChEMBL_1822220 (CHEMBL4321984)	Inhibition of 3C-FLAG/His8-tagged human HHAT expressed in HEK293 cells assessed as reduction in enzyme-mediated sonic hedgehog (1 to 11 residues) palmitoylation by click-ELISA method
50006997	3	ChEMBL_1822219 (CHEMBL4321983)	Inhibition of HA/FLAG/His-tagged HHAT (unknown origin) expressed in 293FT cells assessed as enzyme-mediated sonic hedgehog palmitoylation incubated for 20 mins followed by [125I]iodo-palmitoyl CoA and Shh biotinylated peptide and measured after 1 hr by Scintillation proximity assay
50006997	4	ChEMBL_1822218 (CHEMBL4321982)	Inhibition of sonic hedgehog signaling in mouse Shh Light2 cells after 30 mins by Bright-Glo luciferase assay
50006997	5	ChEMBL_1822217 (CHEMBL4321981)	Binding affinity to N-terminal sonic hedgehog (unknown origin) by surface plasmon resonance analysis
50006999	1	ChEMBL_1822223 (CHEMBL4321987)	Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology assay
50006999	2	ChEMBL_1822227 (CHEMBL4321991)	Inhibition of human Nav1.1 expressed in HEK293 cells by electrophysiology assay
50006999	3	ChEMBL_1822228 (CHEMBL4321992)	Inhibition of human Nav1.2 expressed in HEK293 cells by electrophysiology assay
50006999	4	ChEMBL_1822232 (CHEMBL4321996)	Inhibition of human Nav1.6 expressed in HEK293 cells by electrophysiology assay
50006999	5	ChEMBL_1822230 (CHEMBL4321994)	Inhibition of human Nav1.4 expressed in HEK293 cells by electrophysiology assay
50006999	6	ChEMBL_1822231 (CHEMBL4321995)	Inhibition of human Nav1.5 expressed in HEK293 cells by electrophysiology assay
50006999	7	ChEMBL_1822258 (CHEMBL4322022)	Binding affinity to human recombinant Nav1.2 by radioligand binding assay
50006999	8	ChEMBL_1822261 (CHEMBL4322025)	Binding affinity to mouse Nav1.8 TTX-resistant current by radioligand binding assay
50006999	9	ChEMBL_1822255 (CHEMBL4322019)	Binding affinity to human recombinant Nav1.7 by radioligand binding assay
50006999	10	ChEMBL_1822285 (CHEMBL4322049)	Inhibition of human Nav1.9 expressed in HEK293 cells by electrophysiology assay
50006999	11	ChEMBL_1822229 (CHEMBL4321993)	Inhibition of human Nav1.3 expressed in HEK293 cells by electrophysiology assay
50006999	12	ChEMBL_1822233 (CHEMBL4321997)	Inhibition of human Nav1.8 expressed in HEK293 cells by electrophysiology assay
50006999	13	ChEMBL_1822241 (CHEMBL4322005)	Inhibition of mouse Nav1.7 expressed in HEK293 cells by electrophysiology assay
50006999	14	ChEMBL_1822242 (CHEMBL4322006)	Inhibition of rat Nav1.7 expressed in HEK293 cells by electrophysiology assay
50006999	15	ChEMBL_1822257 (CHEMBL4322021)	Binding affinity to human recombinant Nav1.1 by radioligand binding assay
50006999	16	ChEMBL_1822259 (CHEMBL4322023)	Binding affinity to human recombinant Nav1.3 by radioligand binding assay
50006999	17	ChEMBL_1822224 (CHEMBL4321988)	Binding affinity to human recombinant Nav1.4 by radioligand binding assay
50006999	18	ChEMBL_1822260 (CHEMBL4322024)	Binding affinity to human recombinant Nav1.6 by radioligand binding assay
50006999	19	ChEMBL_1822225 (CHEMBL4321989)	Binding affinity to human recombinant Nav1.5 by radioligand binding assay
50006999	20	ChEMBL_1822256 (CHEMBL4322020)	Binding affinity to mouse Nav1.7 by radioligand binding assay
50007000	1	ChEMBL_1822298 (CHEMBL4322062)	Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay
50007000	2	ChEMBL_1822313 (CHEMBL4322077)	Inhibition of human ERG
50007000	3	ChEMBL_1822297 (CHEMBL4322061)	Inhibition GIRK1/4 (unknown origin)
50007000	4	ChEMBL_1822312 (CHEMBL4322076)	Inhibition of human ROMK1 expressed in HEK293 cells by Tl+ flux assay
50007000	5	ChEMBL_1822314 (CHEMBL4322078)	Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay
50007000	6	ChEMBL_1822296 (CHEMBL4322060)	Inhibition of ROMK (unknown origin)
50007001	1	ChEMBL_1822319 (CHEMBL4322083)	Inhibition of HIV1 protease V82A mutant
50007001	2	ChEMBL_1822323 (CHEMBL4322087)	Inhibition of recombinant human HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as substrate by fluorescence assay
50007001	3	ChEMBL_1822335 (CHEMBL4322099)	Inhibition of HIV1 reverse transcriptase p66/p51 K103N/Y181C mutant infected in human MT2 cells assessed as reduction in viral infection incubated for 5 days
50007001	4	ChEMBL_1822328 (CHEMBL4322092)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence of 33P-gamma ATP by hotspot kinase assay
50007001	5	ChEMBL_1822332 (CHEMBL4322096)	Inhibition of HIV1 JRFL gp120 assessed as reduction in CD4/gp 120 complex formation incubated for 1 hr by ELISA
50007001	6	ChEMBL_1822318 (CHEMBL4322082)	Inhibition of HIV1 protease G48V mutant
50007001	7	ChEMBL_1822337 (CHEMBL4322101)	Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence method
50007001	8	ChEMBL_1822316 (CHEMBL4322080)	Inhibition of HIV1 protease
50007001	9	ChEMBL_1822317 (CHEMBL4322081)	Inhibition of HIV1 protease V82F mutant
50007001	10	ChEMBL_1822321 (CHEMBL4322085)	Inhibition of HDAC (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assay
50007001	11	ChEMBL_1822322 (CHEMBL4322086)	Inhibition of recombinant human full length C-terminal GST-tagged HDAC1 expressed in baculovirus Sf9 insect cells using HDAC Glo I/II substrate by Kinase Glo luminescence assay
50007001	12	ChEMBL_1822324 (CHEMBL4322088)	Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assay
50007001	13	ChEMBL_1822315 (CHEMBL4322079)	Inhibition of recombinant human full length C-terminal GST-tagged HDAC4 (627 to end residues) expressed in baculovirus Sf9 insect cells using HDAC class 2a substrate incubated for 30 mins by fluorescence assay
50007001	14	ChEMBL_1822325 (CHEMBL4322089)	Inhibition of recombinant human His-tagged HDAC6 expressed in insect cells using Fluor de Lys as substrate by fluorescence assay
50007001	15	ChEMBL_1822327 (CHEMBL4322091)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence of 33P-gamma ATP by hotspot kinase assay
50007001	16	ChEMBL_1822329 (CHEMBL4322093)	Inhibition of human TYK2 using KKSRGDYMTMQIG] substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence of 33P-gamma ATP by hotspot kinase assay
50007001	17	ChEMBL_1822330 (CHEMBL4322094)	Inhibition of NO711 binding to mouse GAT1 receptor expressed in HEK293 cell membranes incubated for 1 hr by LC-ESI-MS/MS analysis
50007001	18	ChEMBL_1822333 (CHEMBL4322097)	Inhibition of HIV1 gp120 assessed as increase in anti-DNP binding to immobilized HIV-1 gp120 incubated for 1 hr by ELISA
50007001	19	ChEMBL_1822320 (CHEMBL4322084)	Inhibition of HDAC3 (unknown origin)
50007001	20	ChEMBL_1822326 (CHEMBL4322090)	Inhibition of human JAK3 using GGEEEEYFELVKKKK substrate preincubated for 20 mis followed by addition of ATP and measured after 120 mins in presence of 33P-gamma ATP by hotspot kinase assay
50007002	1	ChEMBL_1822353 (CHEMBL4322117)	Inhibition of mouse brain AChE
50007002	2	ChEMBL_1822344 (CHEMBL4322108)	Inhibition of MAO-A in rat brain using [14C]-5-hydroxytryptamine creatinine disulfate as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50007002	3	ChEMBL_1822349 (CHEMBL4322113)	Inhibition of self-induced aggregation of amyloid beta (1 to 42) (unknown origin) incubated for 24 hrs by TEM analysis
50007002	4	ChEMBL_1822339 (CHEMBL4322103)	Inhibition of soya bean LOX assessed as reduction in formation of 13-hydroperoxylinoleic acid using sodium linoleate as substrate
50007002	5	ChEMBL_1822343 (CHEMBL4322107)	Inhibition of AChE in human erythrocytes preincubated for 60 mins followed by substrate addition by Ellman's method
50007002	6	ChEMBL_1822345 (CHEMBL4322109)	Inhibition of MAO-B in rat brain using [14C]-phenylethylamine as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50007002	7	ChEMBL_1822348 (CHEMBL4322112)	Antagonist activity at human histamine H3 receptor stably expressed in HEK293 cells assessed as cAMP accumulation incubated for 60 mins by Eu-cAMP tracer based TR-FRET assay
50007002	8	ChEMBL_1822350 (CHEMBL4322114)	Displacement of [3H]Sar SP from human NK1 receptor expressed in CHO cells membranes
50007002	9	ChEMBL_1822351 (CHEMBL4322115)	Displacement of [3H]NKA from human NK2 receptor expressed in CHO cells membranes
50007002	10	ChEMBL_1822354 (CHEMBL4322118)	Inhibition of rat synaptosome SERT
50007002	11	ChEMBL_1822352 (CHEMBL4322116)	Displacement of [125I][MePhe]NKB from human NK3 receptor expressed in CHO cells membranes
50007003	1	ChEMBL_1822356 (CHEMBL4322120)	Inhibition of ATR1 (unknown origin)
50007004	1	ChEMBL_1822379 (CHEMBL4322143)	Antagonist activity at TLR4 in human serum assessed as reduction in LPS-induced TNFalpha production after 3 hrs by ELISA
50007004	2	ChEMBL_1822372 (CHEMBL4322136)	Inhibition of ALK (unknown origin)
50007004	3	ChEMBL_1822368 (CHEMBL4322132)	Inhibition of BRD4 (unknown origin)
50007004	4	ChEMBL_1822361 (CHEMBL4322125)	Binding affinity to P38 mitogen activated protein kinase (unknown origin)
50007004	5	ChEMBL_1822367 (CHEMBL4322131)	Inhibition of human BRD4 bromodomain1 expressed in BL21(DE3) cells by isothermal calorimetry
50007004	6	ChEMBL_1822364 (CHEMBL4322128)	Inhibition of MEK1 (unknown origin)
50007004	7	ChEMBL_1822366 (CHEMBL4322130)	Binding affinity to HIV-1 Aspartic Protease
50007004	8	ChEMBL_1822363 (CHEMBL4322127)	Inhibition of HIV-1 Aspartic Protease
50007004	9	ChEMBL_1822362 (CHEMBL4322126)	Inhibition of P38 mitogen activated protein kinase (unknown origin)
50007004	10	ChEMBL_1822360 (CHEMBL4322124)	Inhibition of E3 ubiquitin-protein ligase XIAP (unknown origin)
50007004	11	ChEMBL_1822359 (CHEMBL4322123)	Binding affinity to renin (unknown origin)
50007004	12	ChEMBL_1822358 (CHEMBL4322122)	Inhibition of thrombin (unknown origin)
50007004	13	ChEMBL_1822384 (CHEMBL4322148)	Inhibition of Hepatitis C virus NS5b RNA polymerase
50007004	14	ChEMBL_1822383 (CHEMBL4322147)	Inhibition of HMG-CoA Reductase (unknown origin)
50007004	15	ChEMBL_1822380 (CHEMBL4322144)	Inhibition of Kinesin Eg5 (unknown origin)
50007004	16	ChEMBL_1822377 (CHEMBL4322141)	Inhibition of Bcl2 (unknown origin)
50007004	17	ChEMBL_1822357 (CHEMBL4322121)	Inhibition of human DOT1-like Histone H3 Methyltransferase preincubated for 30 mins followed by 3H-SAM addition and measured after 120 mins
50007004	18	ChEMBL_1822375 (CHEMBL4322139)	Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)
50007004	19	ChEMBL_1822373 (CHEMBL4322137)	Inhibition of glucocorticoid receptor (unknown origin)
50007004	20	ChEMBL_1822371 (CHEMBL4322135)	Inhibition of EGFR (unknown origin)
50007004	21	ChEMBL_1822370 (CHEMBL4322134)	Binding affinity to ABL1 (unknown origin)
50007004	22	ChEMBL_1822386 (CHEMBL4322150)	Inhibition of PIK3CD (unknown origin)
50007004	23	ChEMBL_1822374 (CHEMBL4322138)	Inhibition of Cyclophilin A (unknown origin)
50007004	24	ChEMBL_1822369 (CHEMBL4322133)	Inhibition of ABL1 (unknown origin)
50007004	25	ChEMBL_1822365 (CHEMBL4322129)	Binding affinity to Heat Shock Protein 90 (unknown origin)
50007006	1	ChEMBL_1822392 (CHEMBL4322156)	Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay
50007006	2	ChEMBL_1822415 (CHEMBL4322179)	Inhibition of human TASK1 expressed in HEK293 cells by Qpatch HT platform based assay
50007006	3	ChEMBL_1822391 (CHEMBL4322155)	Inhibition of human TASK1 expressed in CHO cells by Inside-out macro-patches based electrophysiology assay
50007006	4	ChEMBL_1822396 (CHEMBL4322160)	Inhibition of human TASK1 expressed in African green monkey COS7 cells by whole cell patch clamp assay
50007006	5	ChEMBL_1822397 (CHEMBL4322161)	Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay
50007006	6	ChEMBL_1822393 (CHEMBL4322157)	Inhibition of human TASK3 expressed in Xenopus oocytes by whole cell voltage clamp assay
50007006	7	ChEMBL_1822389 (CHEMBL4322153)	Inhibition of human TASK2 expressed in CHO cells by Inside-out macro-patches based electrophysiology assay
50007006	8	ChEMBL_1822388 (CHEMBL4322152)	Inhibition of human TASK4 expressed in CHO cells by Inside-out macro-patches based electrophysiology assay
50007006	9	ChEMBL_1822387 (CHEMBL4322151)	Inhibition of rat TASK3 expressed in (FRT) epithelial cells by chamber based electrophysiology assay
50007006	10	ChEMBL_1822394 (CHEMBL4322158)	Inhibition of human TASK1 by whole cell voltage clamp assay
50007006	11	ChEMBL_1822401 (CHEMBL4322165)	Inhibition of rat TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay
50007006	12	ChEMBL_1822402 (CHEMBL4322166)	Inhibition of rat TASK3 expressed in Xenopus oocytes by whole cell voltage clamp assay
50007006	13	ChEMBL_1822406 (CHEMBL4322170)	Inhibition of human TASK1 expressed in African green monkey COS cells by whole cell patch clamp assay
50007006	14	ChEMBL_1822414 (CHEMBL4322178)	Inhibition of human TASK3 expressed in HEK293 cells by Qpatch HT platform based assay
50007006	15	ChEMBL_1822418 (CHEMBL4322182)	Inhibition of rat TASK3 expressed in African green monkey COS7 cells by outside-out patches based electrophysiology assay
50007006	16	ChEMBL_1822390 (CHEMBL4322154)	Inhibition of human TASK3 expressed in CHO cells by Inside-out macro-patches based electrophysiology assay
50007006	17	ChEMBL_1822409 (CHEMBL4322173)	Inhibition of human TASK3 expressed in CHO cells by Qpatch HT platform based assay
50007006	18	ChEMBL_1822417 (CHEMBL4322181)	Inhibition of rat TASK1 expressed in African green monkey COS7 cells by outside-out patches based electrophysiology assay
50007006	19	ChEMBL_1822408 (CHEMBL4322172)	Inhibition of human TASK1 expressed in CHO cells by Qpatch HT platform based assay
50007006	20	ChEMBL_1822407 (CHEMBL4322171)	Inhibition of human TASK3 expressed in HEK293 by whole cell voltage clamp assay
50007007	1	ChEMBL_1822420 (CHEMBL4322184)	Inhibition of recombinant human N-terminal FLAG-tagged full-length p110alpha/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by kinase-glo assay
50007007	2	ChEMBL_1822426 (CHEMBL4322190)	Inhibition of recombinant human N-terminal GST-tagged full-length p110delta/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ADP-glo assay
50007007	3	ChEMBL_1822424 (CHEMBL4322188)	Inhibition of recombinant human N-terminal FLAG-tagged full-length p110beta/human p85alpha expressed in Sf9 insect cells using PIP2 as substrate by ADP-glo assay
50007007	4	ChEMBL_1822425 (CHEMBL4322189)	Inhibition of recombinant human N-terminal His-tagged full-length p120gamma expressed in Sf9 insect cells using PIP2 as substrate by ADP-glo assay
50007008	1	ChEMBL_1822476 (CHEMBL4322240)	Irreversible inhibition of Trypanosoma cruzi cruzipain
50007008	2	ChEMBL_1822472 (CHEMBL4322236)	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50007008	3	ChEMBL_1822473 (CHEMBL4322237)	Inhibition of human cathepsin L
50007008	4	ChEMBL_1822474 (CHEMBL4322238)	Irreversible inhibition of human cathepsin L
50007008	5	ChEMBL_1822477 (CHEMBL4322241)	Irreversible inhibition of Trypanosoma brucei rhodesiense rhodesain
50007008	6	ChEMBL_1822480 (CHEMBL4322244)	Reversible inhibition of Trypanosoma cruzi cruzipain
50007008	7	ChEMBL_1822481 (CHEMBL4322245)	Reversible inhibition of human cathepsin L
50007008	8	ChEMBL_1822482 (CHEMBL4322246)	Reversible inhibition of human cathepsin B
50007008	9	ChEMBL_1822475 (CHEMBL4322239)	Irreversible inhibition of human cathepsin B
50007009	1	ChEMBL_1822490 (CHEMBL4322254)	Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in auto-PARsylation incubated for 90 mins in presence of bio-NAD as co-substrate by TR-FRET assay
50007009	2	ChEMBL_1822492 (CHEMBL4322256)	Inhibition of recombinant human full-length Myc/His-tagged Parp-1 expressed in baculovirus infected Sf21 insect cells assessed as reduction in auto-PARsylation using activated DNA as substrate incubated for 150 mins in presence of NAD and bio-NAD as co-substrate by TR-FRET assay
50007009	3	ChEMBL_1822487 (CHEMBL4322251)	Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed as reduction in auto-PARsylation incubated for 1 hr in presence of bio-NAD as co-substrate by ELISA
50007009	4	ChEMBL_1822486 (CHEMBL4322250)	Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed as reduction in auto-PARsylation incubated for 60 mins in presence of bio-NAD as co-substrate by ELISA
50007009	5	ChEMBL_1822493 (CHEMBL4322257)	Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 accumulation incubated for 24 hrs by luminex based bead assay
50007009	6	ChEMBL_1822504 (CHEMBL4322268)	Inhibition of human N-terminal FLAG-tagged/C-terminal Strep-tagged PARP10 (805 to 1025 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated substrate by chemiluminescence method
50007009	7	ChEMBL_1822500 (CHEMBL4322264)	Inhibition of N-terminal GST-tagged recombinant human PARP2 (2 to 583 residues) expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	8	ChEMBL_1822501 (CHEMBL4322265)	Inhibition of N-terminal GST-tagged recombinant human full length PARP6 expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	9	ChEMBL_1822502 (CHEMBL4322266)	Inhibition of N-terminal FLAG-tagged recombinant human PARP7 (400 to 657 residues) expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	10	ChEMBL_1822505 (CHEMBL4322269)	Inhibition of human N-terminal GST-tagged PARP11 (8 to 338 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated substrate by chemiluminescence method
50007009	11	ChEMBL_1822506 (CHEMBL4322270)	Inhibition of human N-terminal His/GST-tagged PARP12 (500 to 701 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated substrate by chemiluminescence method
50007009	12	ChEMBL_1822508 (CHEMBL4322272)	Inhibition of N-terminal GST-tagged recombinant human TNKS1 (1001 to 1327 end residues) expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	13	ChEMBL_1822509 (CHEMBL4322273)	Inhibition of GST-tagged recombinant human TNKS2 (667 to 1166 end residues) expressed in baculovirus infected sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	14	ChEMBL_1822510 (CHEMBL4322274)	Inhibition of N-terminal GST-tagged recombinant full length human PARP3 expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007009	15	ChEMBL_1822491 (CHEMBL4322255)	Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in auto-PARsylation incubated for 90 mins in presence of bio-NAD as co-substrate by TR-FRET assay
50007009	16	ChEMBL_1822498 (CHEMBL4322262)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by whole cell patch clamp method
50007009	17	ChEMBL_1822503 (CHEMBL4322267)	Inhibition of human recombinant PARP8 by chemiluminescence method
50007009	18	ChEMBL_1822507 (CHEMBL4322271)	Inhibition of human N-terminal GST-tagged PARP15 (221 to 444 residues) expressed in Escherichia coli using biotinylated substrate by chemiluminescence method
50007009	19	ChEMBL_1822511 (CHEMBL4322275)	Inhibition of tankyrase 1/2 mediated auto-PARsylation in human DLD1 cells assessed as increase in tankyrase accumulation incubated for 24 hrs by luminex based bead assay
50007009	20	ChEMBL_1822499 (CHEMBL4322263)	Inhibition of N-terminal GST-tagged recombinant full length human PARP1 expressed in Baculovirus infected Sf9 cells using biotinylated substrate after 1 hr by chemiluminescence method
50007010	1	ChEMBL_1822556 (CHEMBL4322320)	Inhibition of biotinylated Bim peptide (81 to 106 residues) binding to His-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) cells preincubated for 1 hr followed by biotinylated Bim peptide addition measured after 2 hrs by ELISA
50007010	2	ChEMBL_1822557 (CHEMBL4322321)	Inhibition of biotinylated Bim peptide (81 to 106 residues) binding to His-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) cells preincubated for 1 hr followed by biotinylated Bim peptide addition measured after 2 hrs by ELISA
50007011	1	ChEMBL_1822611 (CHEMBL4322375)	Inhibition of recombinant human C-terminal FLAG-tagged FAAH expressed in HEK293T cells preincubated for 4 hrs followed by addition of FP-TAMRA probe and measured after 20 mins by SDS-PAGE based fluorescence assay
50007011	2	ChEMBL_1822613 (CHEMBL4322377)	Inhibition of FAAH in Wistar rat brain membranes assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubated for 10 mins followed by substrate addition and measured after 4 mins by HPLC/MS analysis
50007011	3	ChEMBL_1822612 (CHEMBL4322376)	Inhibition of FAAH (unknown origin)
50007011	4	ChEMBL_1822614 (CHEMBL4322378)	Inhibition of FAAH in Wistar rat brain intact neurons assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubated for 10 mins followed by substrate addition and measured after 4 mins by HPLC/MS analysis
50007013	1	ChEMBL_1822616 (CHEMBL4322380)	Inhibition of HADC1 (unknown origin)
50007013	2	ChEMBL_1822615 (CHEMBL4322379)	Inhibition of HADC6 (unknown origin)
50007013	3	ChEMBL_1822617 (CHEMBL4322381)	Inhibition of HADC2 (unknown origin)
50007013	4	ChEMBL_1822618 (CHEMBL4322382)	Inhibition of HADC3 (unknown origin)
50007013	5	ChEMBL_1822619 (CHEMBL4322383)	Inhibition of HADC8 (unknown origin)
50007014	1	ChEMBL_1822622 (CHEMBL4322386)	Agonist activity at human full length LRH1 transfected in human HeLa cells incubated for 24 hrs by renilla luciferase reporter gene assay
50007014	2	ChEMBL_1822631 (CHEMBL4322395)	Agonist activity at recombinant human LRH1 ligand binding domain (300 to 537 residues) expressed in Escherichia coli BL21 cells assessed as increase in fluorescein-labeled Tif2 peptide coactivator recruitment by fluorescence polarization assay
50007015	1	ChEMBL_1822663 (CHEMBL4322427)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay
50007015	2	ChEMBL_1822662 (CHEMBL4322426)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes by radioligand competition assay
50007015	3	ChEMBL_1822664 (CHEMBL4322428)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes by radioligand competition assay
50007015	4	ChEMBL_1822676 (CHEMBL4322440)	Displacement of [3H]NECA from rat adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay
50007015	5	ChEMBL_1822665 (CHEMBL4322429)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity by Glo-sensor cAMP assay
50007015	6	ChEMBL_1822666 (CHEMBL4322430)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity by Glo-sensor cAMP assay
50007018	1	ChEMBL_1822681 (CHEMBL4322445)	Inhibition of Pseudomonas aeruginosa class D serine beta-lactamase OXA-10 expressed in Escherichia coli BL21(DE3) cells assessed as reduction in breakdown of cephalosporin FC-5 in presence of aqueous sodium bicarbonate after 10 to 300 mins by fluorescence method
50007018	2	ChEMBL_1822694 (CHEMBL4322458)	Inhibition of recombinant bacterial class A serine beta-lactamase TEM-1 expressed in Escherichia coli assessed as reduction in breakdown of cephalosporin FC-5 preincubated for 10 mins followed by cephalosporin FC-5 addition by fluorescence method
50007019	1	ChEMBL_1822722 (CHEMBL4322486)	Displacement of [3H]-estradiol from human recombinant estrogen receptor expressed in insect cells incubated for 17 hrs by radioactive receptor binding assay
50007020	1	ChEMBL_1822732 (CHEMBL4322496)	Inhibition of mTORC1 in human A2058 cells assessed as reduction in ribosomal protein S6 phosphorylation at Ser235/236 residues incubated for 1 hr by Western blot analysis
50007020	2	ChEMBL_1822731 (CHEMBL4322495)	Inhibition of mTORC2 in human A2058 cells assessed as reduction in PKB phosphorylation at S473 residues incubated for 1 hr by Western blot analysis
50007020	3	ChEMBL_1822733 (CHEMBL4322497)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed in baculovirus expression system by TR-FRET assay
50007020	4	ChEMBL_1822739 (CHEMBL4322503)	Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by kinome scan assay
50007020	5	ChEMBL_1822730 (CHEMBL4322494)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in baculovirus expression system by TR-FRET assay
50007020	6	ChEMBL_1822741 (CHEMBL4322505)	Binding affinity to human wild-type partial length PI3Kbeta (P118 to S1070 residues) expressed in mammalian expression system by kinome scan assay
50007020	7	ChEMBL_1822744 (CHEMBL4322508)	Binding affinity to wild-type human full-length PI4Kbeta (M1 to M828 residues) expressed in mammalian expression system by kinome scan assay
50007020	8	ChEMBL_1822740 (CHEMBL4322504)	Binding affinity to human wild-type partial length PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by kinome scan assay
50007020	9	ChEMBL_1822742 (CHEMBL4322506)	Binding affinity to human wild-type partial length PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by kinome scan assay
50007020	10	ChEMBL_1822743 (CHEMBL4322507)	Binding affinity to human wild-type partial length PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by kinome scan assay
50007020	11	ChEMBL_1822745 (CHEMBL4322509)	Binding affinity to human wild-type partial length VPS34 (S282 to H879 residues) expressed in mammalian expression system by kinome scan assay
50007021	1	ChEMBL_1822758 (CHEMBL4322522)	Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay
50007021	2	ChEMBL_1822759 (CHEMBL4322523)	Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay
50007021	3	ChEMBL_1822760 (CHEMBL4322524)	Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay
50007021	4	ChEMBL_1822761 (CHEMBL4322525)	Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assay
50007021	5	ChEMBL_1822772 (CHEMBL4322536)	Inhibition of BCRP in human HEK293/R2 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay
50007021	6	ChEMBL_1822783 (CHEMBL4322547)	Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by MTS/PMS assay
50007021	7	ChEMBL_1822770 (CHEMBL4322534)	Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topotecan IC50 at 1 uM (Rvb = 531.5 +/- 180 nM)
50007021	8	ChEMBL_1822773 (CHEMBL4322537)	Inhibition of MRP1 in human 2008/MRP1 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay
50007021	9	ChEMBL_1822782 (CHEMBL4322546)	Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by MTS/PMS assay
50007021	10	ChEMBL_1822790 (CHEMBL4322554)	Inhibition of BCRP (unknown origin)
50007021	11	ChEMBL_1822774 (CHEMBL4322538)	Inhibition of MDR in human LCC6MDR cells assessed as reduction in cell viability after 5 days by MTS/PMS assay
50007021	12	ChEMBL_1822781 (CHEMBL4322545)	Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by MTS/PMS assay
50007022	1	ChEMBL_1822860 (CHEMBL4322624)	Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells using ZMAL as substrate after 1 hr in presence of NAD+ by homogeneous fluorescence based analysis
50007022	2	ChEMBL_1822888 (CHEMBL4322652)	Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate demyristoylation using (Z)-(Myr)-Lys-AMC as susbtrate after 4 hrs in presence of NAD+ by homogeneous fluorescence based analysis
50007022	3	ChEMBL_1822880 (CHEMBL4322644)	Inhibition of human sirtuin 2 (25 to 389 residues) assessed as inhibition of substrate deacetylation using ZMAL as substrate incubated for 4 hrs by fluorescene-based analysis
50007022	4	ChEMBL_1822877 (CHEMBL4322641)	Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of substrate demyristoylation using (Z)-(Myr)-Lys-AMC as substrate
50007022	5	ChEMBL_1822882 (CHEMBL4322646)	Inhibition of N-terminal His6 tagged human sirtuin 2 (25 to 389 residues) using Cbz-Lys(acetyl)-AMC as substrate after 4 hrs in presence of NAD+ by homogeneous fluorescence based analysis
50007022	6	ChEMBL_1822875 (CHEMBL4322639)	Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of substrate deacetylation using ZMAL as substrate
50007022	7	ChEMBL_1822879 (CHEMBL4322643)	Inhibition of human sirtuin 2 assessed as inhibition of substrate deacetylation using ZMAL as substrate
50007022	8	ChEMBL_1822886 (CHEMBL4322650)	Inhibition of recombinant Schistosoma mansoni sirtuin 2 (21 to 322 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of substrate demyristoylation using (Z)-(Myr)-Lys-AMC as susbtrate after 1 hr in presence of NAD+ by homogeneous fluorescence based analysis
50007025	1	ChEMBL_1822916 (CHEMBL4322680)	Agonist activity at wild type human A3 receptor stably expressed in Flp-In CHO cells cotransfected with pOG44 assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by LANCE assay
50007027	1	ChEMBL_1822934 (CHEMBL4322698)	Binding affinity to recombinant human 6X His-tagged KCTD12 T1 domain (27 to 131 residues) expressed in Escherichia coli BL21 DE3 cells preincubated for 1 hr followed by probing with HRP-conjugated 6X-His tag antibody for 0.5 hrs by SPOT peptide microarray analysis
50007027	2	ChEMBL_1822935 (CHEMBL4322699)	Displacement of TAMRA-AAG-SLQLPILHHAYLPSIGGV from recombinant human 6X His-tagged KCTD12 T1 domain (27 to 131 residues) expressed in Escherichia coli BL21 DE3 cells by fluorescence polarization assay
50007027	3	ChEMBL_1822936 (CHEMBL4322700)	Binding affinity to recombinant human 6X His-tagged KCTD12 T1 domain (27 to 131 residues) expressed in Escherichia coli BL21 DE3 cells assessed as dissociation constant by isothermal titration calorimetry
50007029	1	ChEMBL_1822980 (CHEMBL4322744)	Binding affinity to recombinant N-terminal His-FLAG-tagged ROS1 (unknown origin) (1883 to 2347 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	2	ChEMBL_1823012 (CHEMBL4322776)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged BRSK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	3	ChEMBL_1823021 (CHEMBL4322785)	Binding affinity to recombinant human full-length N-terminal GST-tagged SYK expressed in baculovirus expression system using Blk/Lyntide as substrate incubated for 1 hr by TR-FRET assay
50007029	4	ChEMBL_1822958 (CHEMBL4322722)	Binding affinity to recombinant human full-length N-terminal his-tagged PIM1 expressed in baculovirus expression system using S6K2 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	5	ChEMBL_1822988 (CHEMBL4322752)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged TYK2 (unknown origin) (871 to 1187 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	6	ChEMBL_1822996 (CHEMBL4322760)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged FGFR1 (unknown origin) (396 to 820 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	7	ChEMBL_1823005 (CHEMBL4322769)	Binding affinity to recombinant human full-length N-terminal GST-tagged ITK expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	8	ChEMBL_1823071 (CHEMBL4322835)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged SGK3 (unknown origin) (119 to 496 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	9	ChEMBL_1823080 (CHEMBL4322844)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PDPK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	10	ChEMBL_1823091 (CHEMBL4322855)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged INSR (unknown origin) (1005 to 1310 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	11	ChEMBL_1823044 (CHEMBL4322808)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CLK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	12	ChEMBL_1823135 (CHEMBL4322899)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKCH (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	13	ChEMBL_1823143 (CHEMBL4322907)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK4 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	14	ChEMBL_1823151 (CHEMBL4322915)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged DYRK1B (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	15	ChEMBL_1823001 (CHEMBL4322765)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged FGFR4 (unknown origin) (460 to 802 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	16	ChEMBL_1823008 (CHEMBL4322772)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP3K5 (unknown origin) (654 to 971 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	17	ChEMBL_1823016 (CHEMBL4322780)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged SGK1 (unknown origin) (60 to 431 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	18	ChEMBL_1823100 (CHEMBL4322864)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TSSK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	19	ChEMBL_1823109 (CHEMBL4322873)	Binding affinity to recombinant human full length N-terminal GST-tagged PTK2 expressed in baculovirus expression system incubated for 1 hr by TR-FRET assay
50007029	20	ChEMBL_1823052 (CHEMBL4322816)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged CSF1R (unknown origin) (538 to 972 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	21	ChEMBL_1823062 (CHEMBL4322826)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CAMK2G (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	22	ChEMBL_1822992 (CHEMBL4322756)	Binding affinity to recombinant full-length human N-terminal his-tagged IRAK4 expressed in baculovirus expression system using IRAK1 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	23	ChEMBL_1823035 (CHEMBL4322799)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MAP2K1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	24	ChEMBL_1822978 (CHEMBL4322742)	Binding affinity to recombinant human full-length N-terminal GST-tagged MAP2K7 (1 to 419 residues) expressed in baculovirus expression system using JNK2 as substrate incubated for 1 hr by TR-FRET assay
50007029	25	ChEMBL_1822971 (CHEMBL4322735)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MYLK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	26	ChEMBL_1823119 (CHEMBL4322883)	Binding affinity to recombinant human full length N-terminal GST-tagged BLK expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	27	ChEMBL_1823128 (CHEMBL4322892)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PRKCG (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	28	ChEMBL_1823092 (CHEMBL4322856)	Binding affinity to recombinant human full length N-terminal GST-tagged CLK4 expressed in baculovirus expression system incubated for 1 hr by TR-FRET assay
50007029	29	ChEMBL_1823101 (CHEMBL4322865)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DAPK1 (unknown origin) (1 to 289 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	30	ChEMBL_1823027 (CHEMBL4322791)	Binding affinity to recombinant full length N-terminal His-FLAG-GST-tagged STK17A (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	31	ChEMBL_1823132 (CHEMBL4322896)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PKN2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	32	ChEMBL_1823141 (CHEMBL4322905)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	33	ChEMBL_1823116 (CHEMBL4322880)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged RPS6KA5 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	34	ChEMBL_1823124 (CHEMBL4322888)	Binding affinity to recombinant full-length N-terminal His-GST-tagged PRKCQ (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	35	ChEMBL_1823149 (CHEMBL4322913)	Binding affinity to recombinant human full length N-terminal GST-tagged RPS6KA3 expressed in baculovirus expression system using S6K peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	36	ChEMBL_1823157 (CHEMBL4322921)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PRKCB (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	37	ChEMBL_1823102 (CHEMBL4322866)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MELK (unknown origin) (1 to 493 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	38	ChEMBL_1823104 (CHEMBL4322868)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MYLK (unknown origin) (1428 to 1771 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	39	ChEMBL_1823105 (CHEMBL4322869)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged NTRK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	40	ChEMBL_1823106 (CHEMBL4322870)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TNIK (unknown origin) (1 to 314 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	41	ChEMBL_1823137 (CHEMBL4322901)	Binding affinity to recombinant human full-length N-terminal GST-tagged CAMK2A expressed in baculovirus expression system using GS peptide as substrate incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	42	ChEMBL_1823138 (CHEMBL4322902)	Binding affinity to recombinant human full length N-terminal GST-tagged MAP2K6 expressed in baculovirus expression system using p38alpha (9 to 352 residues) as substrate incubated for 1 hr by TR-FRET assay
50007029	43	ChEMBL_1823140 (CHEMBL4322904)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PKN1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	44	ChEMBL_1823144 (CHEMBL4322908)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MARK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	45	ChEMBL_1823145 (CHEMBL4322909)	Binding affinity to recombinant human full length N-terminal GST-tagged CDK8 co-expressed with N-terminal GST-tagged CyclinC expressed in baculovirus expression system using RNA polymerase peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	46	ChEMBL_1823146 (CHEMBL4322910)	Binding affinity to recombinant human full length N-terminal GST-tagged CDK19 co-expressed with N-terminal GST-tagged CyclinC expressed in baculovirus expression system using RNA polymerase peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	47	ChEMBL_1823150 (CHEMBL4322914)	Binding affinity to recombinant human full length N-terminal GST-tagged RPS6KA2 expressed in baculovirus expression system using S6K peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	48	ChEMBL_1823153 (CHEMBL4322917)	Binding affinity to recombinant human full length N-terminal GST-tagged PRKACA expressed in baculovirus expression system using kemptide as substrate incubated for 1 hr by TR-FRET assay
50007029	49	ChEMBL_1823154 (CHEMBL4322918)	Binding affinity to recombinant human full length N-terminal GST-tagged RPS6KB1 T412E mutant expressed in baculovirus expression system using S6K2 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	50	ChEMBL_1823155 (CHEMBL4322919)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MARK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	51	ChEMBL_1822985 (CHEMBL4322749)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK38L (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	52	ChEMBL_1822987 (CHEMBL4322751)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged TGFBR2 (unknown origin) (194 to 567 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	53	ChEMBL_1822989 (CHEMBL4322753)	Binding affinity to truncated human N-terminal GST-tagged LIMK1 (285 to 638 residues) expressed in baculovirus expression system using cofilin2 as substrate incubated for 1 hr by TR-FRET assay
50007029	54	ChEMBL_1822991 (CHEMBL4322755)	Binding affinity to recombinant human N-terminal GST-tagged TNK1 (106 to 390 residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	55	ChEMBL_1822993 (CHEMBL4322757)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CAMKK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	56	ChEMBL_1822997 (CHEMBL4322761)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PHKG1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	57	ChEMBL_1822998 (CHEMBL4322762)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged ULK1 (unknown origin) (1 to 649 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	58	ChEMBL_1823000 (CHEMBL4322764)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK32B (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	59	ChEMBL_1823002 (CHEMBL4322766)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged FGFR3 (unknown origin) (436 to 806 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	60	ChEMBL_1823004 (CHEMBL4322768)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged IRAK1 (unknown origin) (194 to 712 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	61	ChEMBL_1823006 (CHEMBL4322770)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TYRO3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	62	ChEMBL_1823009 (CHEMBL4322773)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged AXL (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	63	ChEMBL_1823010 (CHEMBL4322774)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged ABL2 (unknown origin) (2 to 52 and 74 to 1182 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	64	ChEMBL_1823013 (CHEMBL4322777)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PRKD2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	65	ChEMBL_1823014 (CHEMBL4322778)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged STK24 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	66	ChEMBL_1823018 (CHEMBL4322782)	Binding affinity to recombinant human full-length N-terminal GST-tagged ERBB4 expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	67	ChEMBL_1823020 (CHEMBL4322784)	Binding affinity to recombinant human N-terminal his-tagged PDGFRB (558 to 1106 residues) expressed in baculovirus expression system incubated for 1 hr by TR-FRET assay
50007029	68	ChEMBL_1823022 (CHEMBL4322786)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged FGFR2 (unknown origin) (399 to 821 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	69	ChEMBL_1823023 (CHEMBL4322787)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged SGK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	70	ChEMBL_1823025 (CHEMBL4322789)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged MAP4K1 (unknown origin) (1 to 346 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	71	ChEMBL_1823028 (CHEMBL4322792)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP3K2 (unknown origin) (337 to 620 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	72	ChEMBL_1823030 (CHEMBL4322794)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MAP3K7 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	73	ChEMBL_1823031 (CHEMBL4322795)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged CLK1 (unknown origin) (129 to 484 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	74	ChEMBL_1823036 (CHEMBL4322800)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged PAK7 (unknown origin) (425 to 719 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	75	ChEMBL_1823037 (CHEMBL4322801)	Binding affinity to recombinant human full-length N-terminal GST-tagged PAK4 expressed in baculovirus expression system using SGKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	76	ChEMBL_1823039 (CHEMBL4322803)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged MAP3K9 (unknown origin) (110 to 422 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	77	ChEMBL_1823040 (CHEMBL4322804)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged FLT4 (unknown origin) (798 to 1298 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	78	ChEMBL_1823043 (CHEMBL4322807)	Binding affinity to recombinant human full-length N-terminal GST-tagged MKNK2 expressed in baculovirus expression system using RS peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	79	ChEMBL_1823046 (CHEMBL4322810)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PTK2B (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	80	ChEMBL_1823047 (CHEMBL4322811)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CAMKK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	81	ChEMBL_1823050 (CHEMBL4322814)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged FYN (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	82	ChEMBL_1823051 (CHEMBL4322815)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged FGR (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	83	ChEMBL_1822960 (CHEMBL4322724)	Binding affinity to recombinant human full-length N-terminal GST-tagged BTK expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	84	ChEMBL_1823054 (CHEMBL4322818)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHA7 (unknown origin) ( 595 to 998 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	85	ChEMBL_1823057 (CHEMBL4322821)	Binding affinity to recombinant human full-length GST N-Terminal tagged-AMPK alpha1/N-Terminal GST tagged-AMPK beta1/N-Terminal his-tagged AMPK gamma1 expressed in baculovirus expression system incubated for 1 hr by TR-FRET assay
50007029	86	ChEMBL_1823059 (CHEMBL4322823)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged STK32A (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	87	ChEMBL_1823060 (CHEMBL4322824)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP4K2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	88	ChEMBL_1823063 (CHEMBL4322827)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged FRK (unknown origin) (223 to 505 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	89	ChEMBL_1823064 (CHEMBL4322828)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged HIPK4 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	90	ChEMBL_1823066 (CHEMBL4322830)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged FER (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	91	ChEMBL_1823069 (CHEMBL4322833)	Binding affinity to recombinant full-length N-terminal His-tagged FES (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	92	ChEMBL_1823070 (CHEMBL4322834)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged HCK (unknown origin) (25 to 526 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	93	ChEMBL_1823074 (CHEMBL4322838)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKACB (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	94	ChEMBL_1823075 (CHEMBL4322839)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TEK (unknown origin) (771 to 1124 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	95	ChEMBL_1823076 (CHEMBL4322840)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PHKG2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	96	ChEMBL_1823078 (CHEMBL4322842)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MERTK (unknown origin) (528 to 999 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	97	ChEMBL_1823079 (CHEMBL4322843)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged EPHA1 (unknown origin) (586 to 976 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	98	ChEMBL_1823084 (CHEMBL4322848)	Binding affinity to recombinant human full length N-terminal GST-tagged LCK expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	99	ChEMBL_1823085 (CHEMBL4322849)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CIT (unknown origin) (1 to 449 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	100	ChEMBL_1823086 (CHEMBL4322850)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged SIK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	101	ChEMBL_1823089 (CHEMBL4322853)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged NUAK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	102	ChEMBL_1823088 (CHEMBL4322852)	Binding affinity to recombinant human full length N-terminal GST-tagged and N-terminal GST-tagged CDK7/cyclinH/MAT1 expressed in baculovirus expression system using CTD3 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	103	ChEMBL_1823094 (CHEMBL4322858)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged SIK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	104	ChEMBL_1823096 (CHEMBL4322860)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged AAK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	105	ChEMBL_1823097 (CHEMBL4322861)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged ULK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	106	ChEMBL_1823099 (CHEMBL4322863)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MET (unknown origin) (956 to 1390 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	107	ChEMBL_1823108 (CHEMBL4322872)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAPK10 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	108	ChEMBL_1823111 (CHEMBL4322875)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK33 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	109	ChEMBL_1823112 (CHEMBL4322876)	Binding affinity to recombinant human full length N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	110	ChEMBL_1823114 (CHEMBL4322878)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK32C (unknown origin) (66 to 486 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	111	ChEMBL_1823115 (CHEMBL4322879)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged ROCK1 (unknown origin) (1 to 477 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	112	ChEMBL_1823120 (CHEMBL4322884)	Binding affinity to recombinant human full length N-terminal GST-tagged KDR (790 to 1356 residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	113	ChEMBL_1823121 (CHEMBL4322885)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged NTRK1 (unknown origin) (436 to 790 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	114	ChEMBL_1823123 (CHEMBL4322887)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MINK1 (unknown origin) (1 to 314 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	115	ChEMBL_1823127 (CHEMBL4322891)	Binding affinity to recombinant human full length N-terminal GST-tagged CAMK2B expressed in baculovirus expression system using GS peptide as substrate incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	116	ChEMBL_1823129 (CHEMBL4322893)	Binding affinity to recombinant full-length N-terminal His-GST-tagged GSK3A (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	117	ChEMBL_1823130 (CHEMBL4322894)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged GSK3B (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	118	ChEMBL_1823133 (CHEMBL4322897)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PLK4 (unknown origin) (1 to 836 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	119	ChEMBL_1823134 (CHEMBL4322898)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DAPK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	120	ChEMBL_1823136 (CHEMBL4322900)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TAOK1 (unknown origin) (1 to 314 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	121	ChEMBL_1823142 (CHEMBL4322906)	Binding affinity to recombinant human full length N-terminal GST-tagged TBK1 expressed in baculovirus expression system using CKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	122	ChEMBL_1823147 (CHEMBL4322911)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MARK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	123	ChEMBL_1823152 (CHEMBL4322916)	Binding affinity to recombinant human full length N-terminal GST-tagged PRKCE expressed in baculovirus expression system using PKC peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	124	ChEMBL_1823156 (CHEMBL4322920)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK16 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	125	ChEMBL_1823159 (CHEMBL4322923)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MAPK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	126	ChEMBL_1823160 (CHEMBL4322924)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged HIPK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	127	ChEMBL_1822962 (CHEMBL4322726)	Binding affinity to recombinant human full-length N-terminal His-tagged CHEK1 expressed in baculovirus expression system using CHKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	128	ChEMBL_1822963 (CHEMBL4322727)	Binding affinity to recombinant human full-length N-terminal GST-tagged CDK2/cyclin A2 expressed in baculovirus expression system using modified Histone H1 as substrate incubated for 1 hr by TR-FRET assay
50007029	129	ChEMBL_1822964 (CHEMBL4322728)	Binding affinity to recombinant human full-length N-terminal His-tagged ABL1 expressed in baculovirus expression system incubated for 1 hr by TR-FRET assay
50007029	130	ChEMBL_1822968 (CHEMBL4322732)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHA4 (unknown origin) (586 to 986 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	131	ChEMBL_1822969 (CHEMBL4322733)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DMPK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	132	ChEMBL_1822972 (CHEMBL4322736)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged ZAP70 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	133	ChEMBL_1822973 (CHEMBL4322737)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHA3 (unknown origin) (579 to 983 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	134	ChEMBL_1822975 (CHEMBL4322739)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHB2 (unknown origin) (581 to 986 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	135	ChEMBL_1822981 (CHEMBL4322745)	Binding affinity to recombinant human N-terminal GST-tagged TXK (260 to 527 residues) expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	136	ChEMBL_1822984 (CHEMBL4322748)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHB8 (unknown origin) (571 to 924 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	137	ChEMBL_1822986 (CHEMBL4322750)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged YES1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	138	ChEMBL_1822990 (CHEMBL4322754)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAP4K5 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	139	ChEMBL_1822995 (CHEMBL4322759)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged CASK (unknown origin) (1 to 570 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	140	ChEMBL_1822999 (CHEMBL4322763)	Binding affinity to recombinant full length human N-terminal GST-tagged RPS6KA1 expressed in baculovirus expression system using S6K peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	141	ChEMBL_1823003 (CHEMBL4322767)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged ULK2 (unknown origin) (1 to 478 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	142	ChEMBL_1823007 (CHEMBL4322771)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged LYN (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	143	ChEMBL_1823011 (CHEMBL4322775)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DAPK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	144	ChEMBL_1823017 (CHEMBL4322781)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged LATS2 (unknown origin) (553 to 1088 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	145	ChEMBL_1823024 (CHEMBL4322788)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MST4 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	146	ChEMBL_1823029 (CHEMBL4322793)	Binding affinity to recombinant human N-terminal GST-tagged TEC (359 to 631 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	147	ChEMBL_1822959 (CHEMBL4322723)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged RET (unknown origin) (658 to 1114 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	148	ChEMBL_1823032 (CHEMBL4322796)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged MAP3K11 (unknown origin) (99 to 398 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	149	ChEMBL_1823033 (CHEMBL4322797)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged DDR1 (unknown origin) (444 to 876 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	150	ChEMBL_1823038 (CHEMBL4322802)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged HIPK3 (unknown origin) (161 to 562 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	151	ChEMBL_1823041 (CHEMBL4322805)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged SRC (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	152	ChEMBL_1823042 (CHEMBL4322806)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged MAP3K14 (unknown origin) (319 to 947 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	153	ChEMBL_1823045 (CHEMBL4322809)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKCI (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	154	ChEMBL_1823049 (CHEMBL4322813)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged SLK (unknown origin) (1 to 1152 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	155	ChEMBL_1823053 (CHEMBL4322817)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged TNK2 (unknown origin) (110 to 476 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	156	ChEMBL_1823055 (CHEMBL4322819)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged CSK (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	157	ChEMBL_1823058 (CHEMBL4322822)	Binding affinity to recombinant human full-length N-terminal GST-tagged PAK6 expressed in baculovirus expression system using SGKtide as substrate incubated for 1 hr by TR-FRET assay
50007029	158	ChEMBL_1823065 (CHEMBL4322829)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged TSSK1B (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	159	ChEMBL_1823067 (CHEMBL4322831)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAPK12 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	160	ChEMBL_1823072 (CHEMBL4322836)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DMPK (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	161	ChEMBL_1823082 (CHEMBL4322846)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged LTK (unknown origin) (498 to 796 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	162	ChEMBL_1823083 (CHEMBL4322847)	Binding affinity to recombinant human N-terminal GST-tagged AKT2 (120 to 481 residues) expressed in baculovirus expression system using crosstide as substrate incubated for 1 hr by TR-FRET assay
50007029	163	ChEMBL_1823093 (CHEMBL4322857)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MYO3B (unknown origin) (1 to 362 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	164	ChEMBL_1823095 (CHEMBL4322859)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged GRK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	165	ChEMBL_1823098 (CHEMBL4322862)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged JAK3 (unknown origin) (795 to 1124 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	166	ChEMBL_1823107 (CHEMBL4322871)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PRKG1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	167	ChEMBL_1823117 (CHEMBL4322881)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged AKT3 (unknown origin) (108 to 479 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	168	ChEMBL_1823122 (CHEMBL4322886)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged ROCK2 (unknown origin) (1 to 553 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	169	ChEMBL_1823068 (CHEMBL4322832)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKCZ (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	170	ChEMBL_1823118 (CHEMBL4322882)	Binding affinity to recombinant human full length N-terminal GST-tagged CDK9 co-expressed with full length N-terminal His-tagged CyclinT1 expressed in baculovirus expression system using CDK9 substrate incubated for 1 hr by TR-FRET assay
50007029	171	ChEMBL_1822966 (CHEMBL4322730)	Binding affinity to recombinant human full-length N-terminal GST-tagged PIM3 expressed in baculovirus expression system using S6K2 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	172	ChEMBL_1822977 (CHEMBL4322741)	Binding affinity to recombinant human full-length N-terminal GST-tagged CDK5 (1 to 292 residues)/N-terminal His6-tagged p25 (99 to 307 residues) expressed in baculovirus expression system using modified histone H1 as substrate incubated for 1 hr by TR-FRET assay
50007029	173	ChEMBL_1823113 (CHEMBL4322877)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged DYRK1A (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	174	ChEMBL_1823125 (CHEMBL4322889)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged PRKG2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	175	ChEMBL_1822967 (CHEMBL4322731)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CHEK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	176	ChEMBL_1822970 (CHEMBL4322734)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged MARK4 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	177	ChEMBL_1822976 (CHEMBL4322740)	Binding affinity to recombinant human full-length N-terminal GST-tagged PIM2 expressed in baculovirus expression system using S6K2 peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	178	ChEMBL_1823103 (CHEMBL4322867)	Binding affinity to recombinant human full length N-terminal GST-tagged TAOK3 expressed in baculovirus expression system using PKC-epsilon peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	179	ChEMBL_1823019 (CHEMBL4322783)	Binding affinity to recombinant human full-length N-terminal GST-tagged CAMK2D expressed in baculovirus expression system using GS peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	180	ChEMBL_1822983 (CHEMBL4322747)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHB6 (unknown origin) (683 to 1130 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	181	ChEMBL_1822982 (CHEMBL4322746)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged SIK3 (unknown origin) (59 to 365 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	182	ChEMBL_1823026 (CHEMBL4322790)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged TNNI3K (unknown origin) (1 to 727 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	183	ChEMBL_1823073 (CHEMBL4322837)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKACG (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	184	ChEMBL_1823139 (CHEMBL4322903)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CDC42BPA (unknown origin) (1 to 574 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	185	ChEMBL_1822965 (CHEMBL4322729)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged JAK2 (unknown origin) (826 to 1132 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	186	ChEMBL_1823015 (CHEMBL4322779)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged DCLK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	187	ChEMBL_1823048 (CHEMBL4322812)	Binding affinity to recombinant human full-length N-terminal GST-tagged BMX expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by TR-FRET assay
50007029	188	ChEMBL_1823158 (CHEMBL4322922)	Binding affinity to recombinant human full length N-terminal GST-tagged PRKCD expressed in baculovirus expression system using PKC peptide as substrate incubated for 1 hr by TR-FRET assay
50007029	189	ChEMBL_1822961 (CHEMBL4322725)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged MAPK8 (unknown origin) (2 to 364 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	190	ChEMBL_1823081 (CHEMBL4322845)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged STK25 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	191	ChEMBL_1823110 (CHEMBL4322874)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged IKBKE (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	192	ChEMBL_1823126 (CHEMBL4322890)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged RPS6KA6 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	193	ChEMBL_1823131 (CHEMBL4322895)	Binding affinity to recombinant human full length N-terminal his-tagged PDK1 expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	194	ChEMBL_1823148 (CHEMBL4322912)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKCA (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	195	ChEMBL_1822979 (CHEMBL4322743)	Binding affinity to recombinant N-terminal His-FLAG-GST-tagged EPHB4 (unknown origin) (577 to 987 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	196	ChEMBL_1822994 (CHEMBL4322758)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged MAPK15 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	197	ChEMBL_1823061 (CHEMBL4322825)	Binding affinity to recombinant full-length N-terminal His-FLAG-tagged NUAK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	198	ChEMBL_1823077 (CHEMBL4322841)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKAA2 (unknown origin) (10 to 552 residues) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	199	ChEMBL_1823087 (CHEMBL4322851)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged CAMK1G (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr in presence of calmodulin by TR-FRET assay
50007029	200	ChEMBL_1823090 (CHEMBL4322854)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged BMP2K (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	201	ChEMBL_1823056 (CHEMBL4322820)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged AURKA (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007029	202	ChEMBL_1822974 (CHEMBL4322738)	Binding affinity to recombinant full-length N-terminal His-FLAG-GST-tagged PRKX (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by TR-FRET assay
50007032	1	ChEMBL_1823163 (CHEMBL4322927)	Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ flux preincubated for 10 mins followed by agonist addition by Fluo-4 AM dye based FLIPR assay
50007032	2	ChEMBL_1823181 (CHEMBL4322945)	Inhibition of CYP3A4 (unknown origin)
50007032	3	ChEMBL_1823195 (CHEMBL4322959)	Antagonist activity at human TRPV4 channel transfected in HEK cells assessed as inhibition of GSK634775-evoked Ca2+ influx by FLIPR method
50007032	4	ChEMBL_1823196 (CHEMBL4322960)	Antagonist activity at human TRPV4
50007032	5	ChEMBL_1823180 (CHEMBL4322944)	Inhibition of human ERG by electrophysiology
50007033	1	ChEMBL_1823200 (CHEMBL4322964)	Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry
50007033	2	ChEMBL_1823207 (CHEMBL4322971)	Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence based assay
50007033	3	ChEMBL_1823199 (CHEMBL4322963)	Inhibition of human cathepsin L
50007034	1	ChEMBL_1823212 (CHEMBL4322976)	Inhibition of BACE2 (unknown origin) by HTRF assay
50007034	2	ChEMBL_1823225 (CHEMBL4322989)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50007034	3	ChEMBL_1823315 (CHEMBL4323079)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 mins in presence of NADPH by fluorescence method
50007034	4	ChEMBL_1823316 (CHEMBL4323080)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by fluorescence method
50007034	5	ChEMBL_1823210 (CHEMBL4322974)	Inhibition of BACE1 in human SH-SY5Y cells expressing human wild type amyloid precursor protein assessed as reduction in amyloidbeta40 production incubated for 24 hrs by HTRF assay
50007034	6	ChEMBL_1823215 (CHEMBL4322979)	Inhibition of human ERG at -80 mV holding potential by automated Qpatch clamp assay
50007034	7	ChEMBL_1823209 (CHEMBL4322973)	Inhibition of recombinant human BACE1 incubated for 3 hrs using APP derived peptide as substrate by HTRF assay
50007034	8	ChEMBL_1823224 (CHEMBL4322988)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50007035	1	ChEMBL_1823333 (CHEMBL4323097)	Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins followed by peptide addition and measured after 1 hr by Alphascreen method
50007035	2	ChEMBL_1823337 (CHEMBL4323101)	Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubated for 5 mins followed by compound addition by octet BLI assay
50007035	3	ChEMBL_1823338 (CHEMBL4323102)	Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007035	4	ChEMBL_1823328 (CHEMBL4323092)	Binding affinity to recombinant human His-tagged SPIN2B (45 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007035	5	ChEMBL_1823360 (CHEMBL4323124)	Binding affinity to recombinant human N-terminal His-tagged SPIN1 (50 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007035	6	ChEMBL_1823335 (CHEMBL4323099)	Inhibition of C-terminal Halotag-histone 3.3 tagged SPIN1 (unknown origin) transfected in human U2OS cells cotransfected with nano-luciferase at 1 uM using NanoBRET Nano-Glo substrate as substrate incubated for 24 hrs by NanoBRET assay
50007035	7	ChEMBL_1823334 (CHEMBL4323098)	Inhibition of G9a (unknown origin) by scintillation proximity Assay
50007035	8	ChEMBL_1823329 (CHEMBL4323093)	Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007035	9	ChEMBL_1823326 (CHEMBL4323090)	Binding affinity to recombinant human His-tagged SPIN4 (36 to 249 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007035	10	ChEMBL_1823361 (CHEMBL4323125)	Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaLISA assay
50007035	11	ChEMBL_1823327 (CHEMBL4323091)	Binding affinity to recombinant human His-tagged SPIN3 (27 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50007036	1	ChEMBL_1823412 (CHEMBL4323176)	Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24 hrs by fluorescence polarization assay
50007036	2	ChEMBL_1823424 (CHEMBL4323188)	Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay
50007036	3	ChEMBL_1823413 (CHEMBL4323177)	Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24 hrs by fluorescence polarization assay
50007036	4	ChEMBL_1823425 (CHEMBL4323189)	Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 to 22 hrs by fluorescence polarization assay
50007036	5	ChEMBL_1823415 (CHEMBL4323179)	Binding affinity to Pseudomonas aeruginosa PA14 LecB by isothermal titration calorimetry
50007036	6	ChEMBL_1823414 (CHEMBL4323178)	Binding affinity to Pseudomonas aeruginosa PAO1 LecB by isothermal titration calorimetry
50007038	1	ChEMBL_1823457 (CHEMBL4323221)	Binding affinity to cereblon in human RV4:11/IRMI-2 cells harboring p53 hotspot mutation Y236H/R249G assessed as cell growth inhibition measured after 4 days
50007038	2	ChEMBL_1823460 (CHEMBL4323224)	Binding affinity to cereblon in human RV4:11 cells expressing wild type p53 assessed as reduction in cell growth inhibition measured after 4 days in presence of 10 uM lenalidomide
50007038	3	ChEMBL_1823469 (CHEMBL4323233)	Binding affinity to cereblon in human MDA-MB-468 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 10 uM lenalidomide
50007038	4	ChEMBL_1823456 (CHEMBL4323220)	Binding affinity to cereblon in human RV4:11 cells expressing wild type p53 assessed as cell growth inhibition measured after 4 days
50007038	5	ChEMBL_1823458 (CHEMBL4323222)	Binding affinity to cereblon in human MDA-MB-231 cells assessed as cell growth inhibition measured after 4 days
50007038	6	ChEMBL_1823459 (CHEMBL4323223)	Binding affinity to cereblon in human MDA-MB-468 cells assessed as cell growth inhibition measured after 4 days
50007038	7	ChEMBL_1823461 (CHEMBL4323225)	Binding affinity to cereblon in human RV4:11 cells expressing wild type p53 assessed as reduction in cell growth inhibition measured after 4 days in presence of 30 uM lenalidomide
50007038	8	ChEMBL_1823462 (CHEMBL4323226)	Binding affinity to cereblon in human RV4:11 cells expressing wild type p53 assessed as reduction in cell growth inhibition measured after 4 days in presence of 100 uM lenalidomide
50007038	9	ChEMBL_1823463 (CHEMBL4323227)	Binding affinity to cereblon in human RV4:11/IRMI-2 cells harboring p53 hotspot mutation Y236H/R249G assessed as reduction in cell growth inhibition measured after 4 days in presence of 10 uM lenalidomide
50007038	10	ChEMBL_1823465 (CHEMBL4323229)	Binding affinity to cereblon in human RV4:11/IRMI-2 cells harboring p53 hotspot mutation Y236H/R249G assessed as reduction in cell growth inhibition measured after 4 days in presence of 100 uM lenalidomide
50007038	11	ChEMBL_1823466 (CHEMBL4323230)	Binding affinity to cereblon in human MDA-MB-231 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 10 uM of lenalidomide
50007038	12	ChEMBL_1823470 (CHEMBL4323234)	Binding affinity to cereblon in human MDA-MB-468 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 30 uM lenalidomide
50007038	13	ChEMBL_1823471 (CHEMBL4323235)	Binding affinity to cereblon in human MDA-MB-468 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 100 uM lenalidomide
50007038	14	ChEMBL_1823428 (CHEMBL4323192)	Displacement of PMDM6-F fluorescent probe from human recombinant His-tagged MDM2 (1 to 118 residues) after 15 mins by fluorescence polarization assay
50007038	15	ChEMBL_1823468 (CHEMBL4323232)	Binding affinity to cereblon in human MDA-MB-231 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 100 uM of lenalidomide
50007038	16	ChEMBL_1823464 (CHEMBL4323228)	Binding affinity to cereblon in human RV4:11/IRMI-2 cells harboring p53 hotspot mutation Y236H/R249G assessed as reduction in cell growth inhibition measured after 4 days in presence of 30 uM lenalidomide
50007038	17	ChEMBL_1823467 (CHEMBL4323231)	Binding affinity to cereblon in human MDA-MB-231 cells assessed as reduction in cell growth inhibition measured after 4 days in presence of 30 uM of lenalidomide
50007042	1	ChEMBL_1823505 (CHEMBL4323269)	Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	2	ChEMBL_1823519 (CHEMBL4323283)	Inhibition of recombinant human DAO using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	3	ChEMBL_1823506 (CHEMBL4323270)	Inhibition of LOX in bovine aorta using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	4	ChEMBL_1823515 (CHEMBL4323279)	Inhibition of recombinant rat LOLX2 using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	5	ChEMBL_1823524 (CHEMBL4323288)	Inhibition of recombinant human LOXL4 using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	6	ChEMBL_1823537 (CHEMBL4323301)	Time-dependent inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells assessed as apparent inhibition constant using putrescine as substrate by kitz-wilson plot analysis
50007042	7	ChEMBL_1823512 (CHEMBL4323276)	Inhibition of recombinant human LOXL2 assessed as inhibition of collagen cross linking compound replenishment for 5 days and measured on day 7 by UPLC-ESI-MS/MS analysis
50007042	8	ChEMBL_1823514 (CHEMBL4323278)	Inhibition of recombinant mouse C-terminal His-tagged LOLX2 (26-776 residues) expressed in mouse myeloma cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	9	ChEMBL_1823516 (CHEMBL4323280)	Inhibition of recombinant human MAOA expressed in baculovirus infected in BTI cells using tyramine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	10	ChEMBL_1823517 (CHEMBL4323281)	Inhibition of recombinant human MAOB expressed in baculovirus infected in BTI cells using benzylamine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	11	ChEMBL_1823520 (CHEMBL4323284)	Inhibition of LOX in human IMR90 cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	12	ChEMBL_1823521 (CHEMBL4323285)	Inhibition of LOX in mouse lung fibroblast cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	13	ChEMBL_1823523 (CHEMBL4323287)	Inhibition of recombinant C-terminal His-tagged human LOXL3 (1 to 753 residues) expressed in CHO cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	14	ChEMBL_1823559 (CHEMBL4323323)	Inhibition of recombinant human C-terminal His-tagged LOLX2 (1-774 residues) expressed in mouse myeloma cells assessed as inhibition of collagen oxidation measured every 1 min for 3 hrs by Amplex-Red oxidation assay
50007042	15	ChEMBL_1823518 (CHEMBL4323282)	Inhibition of recombinant human SSAO using benzylamine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	16	ChEMBL_1823513 (CHEMBL4323277)	Inhibition of LOXL2 in human IMR90 cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007042	17	ChEMBL_1823522 (CHEMBL4323286)	Inhibition of recombinant human LOXL1 using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every 2.5 mins for 30 mins by Amplex-Red oxidation assay
50007046	1	ChEMBL_1823590 (CHEMBL4323354)	Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis
50007047	1	ChEMBL_1823693 (CHEMBL4323457)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 2.5 mins by DTNB reagent based spectrometric method
50007047	2	ChEMBL_1823689 (CHEMBL4323453)	Inhibition of human plasma BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 2.5 mins by DTNB reagent based spectrometric method
50007047	3	ChEMBL_1823684 (CHEMBL4323448)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's method
50007047	4	ChEMBL_1823686 (CHEMBL4323450)	Inhibition of human plasma BChE using s-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by yellow thio-nitrobenzoate anion dye based spectrophotometric method
50007047	5	ChEMBL_1823687 (CHEMBL4323451)	Inhibition of mouse AChE using acetylthiocholine as substrate measured after 300 secs by Ellman's method
50007047	6	ChEMBL_1823683 (CHEMBL4323447)	Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's method
50007047	7	ChEMBL_1823691 (CHEMBL4323455)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 2.5 mins by DTNB reagent based UV-spectrophotometric method
50007047	8	ChEMBL_1823692 (CHEMBL4323456)	Inhibition of human erythrocyte AChE at 10 uM using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 2.5 mins by DTNB reagent based UV-spectrophotometric method
50007047	9	ChEMBL_1823685 (CHEMBL4323449)	Inhibition of human erythrocyte AChE using acetyl-(beta-methyl)thiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by yellow thio-nitrobenzoate anion dye based spectrophotometric method
50007047	10	ChEMBL_1823688 (CHEMBL4323452)	Inhibition of recombinant human BChE using butyrylthiocholine as substrate measured after 300 secs by Ellman's method
50007048	1	ChEMBL_1823714 (CHEMBL4323478)	Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay
50007048	2	ChEMBL_1823716 (CHEMBL4323480)	Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay
50007048	3	ChEMBL_1823717 (CHEMBL4323481)	Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay
50007048	4	ChEMBL_1823728 (CHEMBL4323492)	Displacement of [3H] diprenorphine from kappa opioid receptor (unknown origin)
50007048	5	ChEMBL_1823732 (CHEMBL4323496)	Displacement of [3H] NMS from muscarinic M3 receptor (unknown origin)
50007048	6	ChEMBL_1823738 (CHEMBL4323502)	Agonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment incubated for 6 hrs by Path-Hunter assay
50007048	7	ChEMBL_1823723 (CHEMBL4323487)	Displacement of [3H] prazosin from alpha1A adrenergic receptor (unknown origin)
50007048	8	ChEMBL_1823715 (CHEMBL4323479)	Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay
50007048	9	ChEMBL_1823721 (CHEMBL4323485)	Displacement of [3H] SCH23390 from D1 receptor (unknown origin)
50007048	10	ChEMBL_1823722 (CHEMBL4323486)	Displacement of [3H] SCH23390 from D5 receptor (unknown origin)
50007048	11	ChEMBL_1823724 (CHEMBL4323488)	Displacement of [3H] RX821002 from alpha2A adrenergic receptor (unknown origin)
50007048	12	ChEMBL_1823725 (CHEMBL4323489)	Displacement of [3H] CGP12177 from beta1 adrenergic receptor (unknown origin)
50007048	13	ChEMBL_1823726 (CHEMBL4323490)	Displacement of [3H] CGP12177 from beta2 adrenergic receptor (unknown origin)
50007048	14	ChEMBL_1823727 (CHEMBL4323491)	Displacement of [3H] diprenorphine from delta opioid receptor (unknown origin)
50007048	15	ChEMBL_1823729 (CHEMBL4323493)	Displacement of [3H] diprenorphine from mu opioid receptor (unknown origin)
50007048	16	ChEMBL_1823730 (CHEMBL4323494)	Displacement of [3H] NMS from muscarinic M1 receptor (unknown origin)
50007048	17	ChEMBL_1823731 (CHEMBL4323495)	Displacement of [3H] NMS from muscarinic M2 receptor (unknown origin)
50007048	18	ChEMBL_1823733 (CHEMBL4323497)	Displacement of [3H] WAY100635 from 5HT1A receptor (unknown origin)
50007048	19	ChEMBL_1823736 (CHEMBL4323500)	Agonist activity at human D4 receptor expressed in HEK293T cells co-expressing G-alphaqi assessed as accumulation of inositol monophosphate using d2-labelled IP1 conjugate incubated for 90 mins by HTRF assay
50007048	20	ChEMBL_1823740 (CHEMBL4323504)	Antagonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as inhibition of quinpirole-induced beta-arrestin2 recruitment preincubated for 30 mins followed by quinpirole addition and further incubated for 6 hrs by Path-Hunter assay
50007048	21	ChEMBL_1823734 (CHEMBL4323498)	Displacement of [3H] Ketanserin from 5HT2A receptor (unknown origin)
50007049	1	ChEMBL_1823748 (CHEMBL4323512)	Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis
50007049	2	ChEMBL_1823749 (CHEMBL4323513)	Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis
50007051	1	ChEMBL_1823776 (CHEMBL4323540)	Inhibition of human recombinant CLK1 expressed in Escherichia coli
50007051	2	ChEMBL_1823759 (CHEMBL4323523)	Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay
50007051	3	ChEMBL_1823781 (CHEMBL4323545)	Inhibition of human recombinant CDK8/cyclinC expressed in Baculovirus system
50007051	5	ChEMBL_1823775 (CHEMBL4323539)	Inhibition of IRAK1 (unknown origin)
50007051	6	ChEMBL_1823782 (CHEMBL4323546)	Inhibition of CDK9 (unknown origin)
50007051	7	ChEMBL_1823780 (CHEMBL4323544)	Inhibition of CDK7 (unknown origin)
50007051	8	ChEMBL_1823779 (CHEMBL4323543)	Inhibition of human recombinant CLK4 expressed in Baculovirus system
50007051	9	ChEMBL_1823778 (CHEMBL4323542)	Inhibition of human recombinant CLK3 expressed in Baculovirus system
50007051	10	ChEMBL_1823777 (CHEMBL4323541)	Inhibition of human recombinant CLK2 expressed in Baculovirus system
50007052	1	ChEMBL_1823877 (CHEMBL4323641)	Inhibition of thrombin (unknown origin) using Tos-Gly-Pro-Arg-AMCA-TFA as a substrate incubated for 40 secs and measured every 15 secs interval for 20 times by fluorescence based Dixon plot analysis
50007054	1	ChEMBL_1823889 (CHEMBL4323653)	Inhibition of N-terminal poly-histidine tagged recombinant QSOX1 (33 to 546 residues) (unknown origin) expressed in Rosetta-gami B (DE3) cells using using reduced denatured RNAse A substrate by ROS-Glo assay
50007054	2	ChEMBL_1823885 (CHEMBL4323649)	Inhibition of human recombinant HDAC5 using acetyl-Lys(trifluoroacetyl)-AMC substrate by fluorescence based assay
50007054	3	ChEMBL_1823888 (CHEMBL4323652)	Inhibition of human recombinant HDAC9 using acetyl-Lys(trifluoroacetyl)-AMC substrate by fluorescence based assay
50007054	4	ChEMBL_1823892 (CHEMBL4323656)	Inhibition of Clostridium difficile toxin B
50007054	5	ChEMBL_1823887 (CHEMBL4323651)	Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC substrate by fluorescence based assay
50007054	6	ChEMBL_1823886 (CHEMBL4323650)	Inhibition of human recombinant HDAC6 using RHKKAc-AMC substrate by fluorescence based assay
50007055	1	ChEMBL_1823978 (CHEMBL4323742)	Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analysis
50007055	2	ChEMBL_1823981 (CHEMBL4323745)	Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysis
50007055	3	ChEMBL_1823976 (CHEMBL4323740)	Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC analysis
50007057	1	ChEMBL_1823986 (CHEMBL4323750)	Inhibition of human O-GlcNAcase
50007058	1	ChEMBL_1823987 (CHEMBL4323751)	Inhibition of VEGFR2 in HUVEC assessed as inhibition of VEGF-induced tube formation incubated for 8 hrs by inverted microscopic method
50007059	1	ChEMBL_1823999 (CHEMBL4323763)	Agonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 30 mins
50007059	2	ChEMBL_1824010 (CHEMBL4323774)	Binding affinity to alpha5beta1 integrin receptor (unknown origin) incubated fro 30 mins by competitive solid-phase binding assay
50007059	3	ChEMBL_1824005 (CHEMBL4323769)	Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as increase in VCAM1-induced cell adhesion pre-incubated for 30 mins
50007059	4	ChEMBL_1824003 (CHEMBL4323767)	Antagonist activity at alpha5beta1 integrin receptor in human K562 cells assessed as reduction in fibronectin-induced cell adhesion pre-incubated for 30 mins
50007059	5	ChEMBL_1824007 (CHEMBL4323771)	Binding affinity to alpha4beta1 integrin receptor (unknown origin) incubated for 1 hr by scintillation proximity binding assay
50007059	6	ChEMBL_1824004 (CHEMBL4323768)	Agonist activity at alpha5beta1 integrin receptor in human K562 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 30 mins
50007059	7	ChEMBL_1824009 (CHEMBL4323773)	Binding affinity to alphaVbeta3 integrin receptor (unknown origin) incubated fro 30 mins by competitive solid-phase binding assay
50007059	8	ChEMBL_1824012 (CHEMBL4323776)	Agonist activity at alphaVbeta3 integrin receptor in human Saos-2 cells assessed as increase in fibronectin-induced cell adhesion pre-incubated for 30 mins
50007059	9	ChEMBL_1824001 (CHEMBL4323765)	Antagonist activity at alphaVbeta3 integrin receptor in human SK-MEL-24 cells assessed as reduction in fibronectin-induced cell adhesion pre-incubated for 30 mins
50007059	10	ChEMBL_1824008 (CHEMBL4323772)	Antagonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of VCAM1-induced cell adhesion pre-incubated for 30 mins
50007060	5	ChEMBL_1824052 (CHEMBL4323816)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50007060	10	ChEMBL_1824040 (CHEMBL4323804)	Inhibition of human ERG expressed in HEK293 cells at holding potential -80 mV by whole-cell voltage-clamp method
50007060	11	ChEMBL_1824049 (CHEMBL4323813)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50007060	12	ChEMBL_1824050 (CHEMBL4323814)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50007060	13	ChEMBL_1824051 (CHEMBL4323815)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50007060	14	ChEMBL_1824053 (CHEMBL4323817)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50007060	15	ChEMBL_1824054 (CHEMBL4323818)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate treated prior to substrate addition by LC-MS/MS analysis
50007061	1	ChEMBL_1824165 (CHEMBL4323929)	Inhibition of human JAK1 (866 to end residues) GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometric assay
50007061	2	ChEMBL_1824167 (CHEMBL4323931)	Inhibition of human JAK3 (781 to end residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometric assay
50007061	3	ChEMBL_1824178 (CHEMBL4323942)	Inhibition of recombinant full length human CDK6/CyclinD3 using histone H1 as substrate incubated for 30 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	4	ChEMBL_1824197 (CHEMBL4323961)	Inhibition of JAK1 in human TF-1 cells assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometry
50007061	5	ChEMBL_1824201 (CHEMBL4323965)	Inhibition of CYP2C9 (unknown origin)
50007061	6	ChEMBL_1824176 (CHEMBL4323940)	Inhibition of CYP3A4 (unknown origin)
50007061	7	ChEMBL_1824158 (CHEMBL4323922)	Inhibition of recombinant human FLT3 D835Y mutant (564 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	8	ChEMBL_1824182 (CHEMBL4323946)	Inhibition of recombinant full length human LYN using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	9	ChEMBL_1824183 (CHEMBL4323947)	Inhibition of JAK1/JAK3 in human PBMC cells assessed as reduction in IL-2-induced STAT5 phosphorylation by flow cytometry
50007061	10	ChEMBL_1824199 (CHEMBL4323963)	Inhibition of JAK1 in human PBMC cells assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometry
50007061	11	ChEMBL_1824196 (CHEMBL4323960)	Inhibition of JAK2 in human TF-1 cells assessed as reduction in IL-3-induced STAT5 phosphorylation by flow cytometry
50007061	12	ChEMBL_1824195 (CHEMBL4323959)	Inhibition of JAK1/JAK3 in human THP-1 cells assessed as reduction in IL-4-induced STAT6 phosphorylation by flow cytometry
50007061	13	ChEMBL_1824184 (CHEMBL4323948)	Inhibition of human ERG
50007061	14	ChEMBL_1824202 (CHEMBL4323966)	Inhibition of CYP2C19 (unknown origin)
50007061	15	ChEMBL_1824203 (CHEMBL4323967)	Inhibition of CYP2D6 (unknown origin)
50007061	16	ChEMBL_1824204 (CHEMBL4323968)	Inhibition of CYP2E1 (unknown origin)
50007061	17	ChEMBL_1824166 (CHEMBL4323930)	Inhibition of human JAK2 (808 to end residues) using KTFCGTPEYLAP as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometric assay
50007061	18	ChEMBL_1824168 (CHEMBL4323932)	Inhibition of human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometric assay
50007061	19	ChEMBL_1824180 (CHEMBL4323944)	Inhibition of recombinant human FLT4 (800 to 1297 residues) using poly(Glu:Tyr) as substrate incubated for 30 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	20	ChEMBL_1824194 (CHEMBL4323958)	Inhibition of JAK2 V617F mutant in BAF3 cells assessed as reduction in cell growth measured after 72 hrs by MTT assay
50007061	21	ChEMBL_1824177 (CHEMBL4323941)	Inhibition of recombinant full length human CDK4/CyclinD3 using Rb fragment as substrate incubated for 30 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	22	ChEMBL_1824179 (CHEMBL4323943)	Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	23	ChEMBL_1824181 (CHEMBL4323945)	Inhibition of recombinant human full length human LCK using KVEKIGEGTYGVV as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintillation counting based radiometry assay
50007061	24	ChEMBL_1824198 (CHEMBL4323962)	Inhibition of JAK2 in human PBMC cells assessed as reduction in GM-CSF-induced STAT5 phosphorylation by flow cytometry
50007061	25	ChEMBL_1824200 (CHEMBL4323964)	Inhibition of CYP1A2 (unknown origin)
50007062	1	ChEMBL_1824278 (CHEMBL4324042)	Inhibition of human topoisomerase 2alpha mediated decatenation using kDNA as susbtrate preincubated for 20 mins followed by substrate and ATP addition and measured after 1 hr by ethidium bromide staining based gel electrophoresis method
50007062	2	ChEMBL_1824281 (CHEMBL4324045)	Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with VimPro-GFP reporter assessed as reversion of epithelial-mesenchymal transition by measuring reduction in vimentin expression after 72 hrs by Hoechst 33342 staining based GFP reporter gene assay
50007062	3	ChEMBL_1824282 (CHEMBL4324046)	Inhibition of topoisomerase 2alpha in human SW620 organoids transfected with EcadPro-RFP reporter assessed as reversion of epithelial-mesenchymal transition by measuring increase in E-cadherin expression after 72 hrs by Hoechst 33342 staining based mCherryRFP reporter gene assay
50007062	4	ChEMBL_1824279 (CHEMBL4324043)	Inhibition of topoisomerase 2alpha dependent TCF transcription in human SW620 organoids transduced with TOPflash luminescent reporter after 72 hrs by luciferase based TOPFlash reporter gene assay
50007063	1	ChEMBL_1824355 (CHEMBL4324119)	Inhibition of human recombinant GST-tagged wild type EGFR expressed in baculovirus expression system assessed as decrease in phosphorylation of ULight-poly-GT using ULight-poly-GT as substrate incubated for 90 mins in presence of ATP by TR-FRET LANCE assay
50007063	2	ChEMBL_1824357 (CHEMBL4324121)	Inhibition of GST-fusion tagged EGFR L858R/T790M/C797S triple mutant (unknown origin) (696 to 1022 residues) expressed in insect cells assessed as decrease in phosphorylation of ULight-poly-GT using poly-GT as substrate in presence of ATP
50007063	3	ChEMBL_1824360 (CHEMBL4324124)	Inhibition of wild type EGFR in mouse BAF3 cells assessed as reduction in cell proliferation incubated for 72 hrs by Celltiter-Glo luminescent cell viability assay
50007064	1	ChEMBL_1824396 (CHEMBL4324160)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by addition of ATP and measured after 30 mins by ELISA method
50007064	2	ChEMBL_1824407 (CHEMBL4324171)	Inhibition of NLRP3 inflammasome activation in LPS-primed C57BL/6 mouse bone marrow derived macrophages preincubated for 15 mins followed by addition of ATP and measured after 1 hr by ELISA
50007064	3	ChEMBL_1824401 (CHEMBL4324165)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by addition of ATP and measured after 1 hr by ELISA method
50007064	4	ChEMBL_1824403 (CHEMBL4324167)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages preincubated for 15 mins followed by addition of ATP and measured after 30 mins by ELISA method
50007064	5	ChEMBL_1824405 (CHEMBL4324169)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages incubated for 1 hr followed by addition of ATP and measured after 1 hr by immunoblotting analysis
50007064	6	ChEMBL_1824406 (CHEMBL4324170)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells assessed as reduction in IL-1beta level preincubated for 30 mins followed by addition of nigericin and measured after 40 mins by ELISA
50007064	7	ChEMBL_1824381 (CHEMBL4324145)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages preincubated for 15 mins followed by addition of ATP and measured after 30 mins by immunoblotting analysis
50007064	8	ChEMBL_1824382 (CHEMBL4324146)	Inhibition of NLRP3 in LPS/ATP-treated mouse bone marrow derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reduction in IL-1beta level by ELISA method
50007064	9	ChEMBL_1824383 (CHEMBL4324147)	Inhibition of NLRP3 in LPS/ATP-treated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reduction in IL-1beta level by ELISA method
50007064	10	ChEMBL_1824387 (CHEMBL4324151)	Inhibition of NLRP3 inflammasome activation in mouse J774A.1 cells assessed as reduction in IL-1beta level preincubated for 2 hrs followed by LPS-stimulation and further incubated for 5.5 hrs and subsequently ATP addition and measured after 30 mins by ELISA method
50007064	11	ChEMBL_1824389 (CHEMBL4324153)	Inhibition of recombinant human NLRP3 ATPase assessed as reduction in ADP formation preincubated for 10 mins followed by ATP addition and measured after 40 mins by ADP-Glo assay
50007064	12	ChEMBL_1824391 (CHEMBL4324155)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 10 mins followed by addition of nigericin
50007064	13	ChEMBL_1824393 (CHEMBL4324157)	Inhibition of PRDX1 in human PMA-differentiated LPS-stimulated THP1 cells assessed as reduction in NLRP3 inflammasome activation preincubated for 1 hr followed by addition of ATP and mesured after 1 hr by ELISA
50007064	14	ChEMBL_1824400 (CHEMBL4324164)	Inhibition of NLRP3 inflammasome activation in PMA differentiated human THP1 cells assessed as reduction in IL-1beta level preincubated for 30 mins followed by addition of MSU and meaured after 6 hrs by ELISA method relative to control
50007064	15	ChEMBL_1824404 (CHEMBL4324168)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages incubated for 30 mins by immunoblotting analysis
50007064	16	ChEMBL_1824402 (CHEMBL4324166)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse NG5 cells assessed as reduction in IL-1beta level incubated for 15followed by addition of ATP by ELISA method
50007064	17	ChEMBL_1824386 (CHEMBL4324150)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated for 30 mins followed by addition of ATP and measured after 1 hr by ELISA method
50007064	18	ChEMBL_1824399 (CHEMBL4324163)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774A.1 cells assessed as reduction in IL-1beta level incubated for 30 mins in presence of ATP by ELISA method
50007065	1	ChEMBL_1824410 (CHEMBL4324174)	Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP based scintillation counting method
50007065	2	ChEMBL_1824411 (CHEMBL4324175)	Inhibition of recombinant human His-tagged P38beta MAPK (1 to 364 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP based scintillation counting method
50007065	3	ChEMBL_1824426 (CHEMBL4324190)	Inhibition of ZAK (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	4	ChEMBL_1824422 (CHEMBL4324186)	Inhibition of full-length human C-terminal NanoLuc-tagged P38 alpha MAPK expressed in human HEK293T cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	5	ChEMBL_1824423 (CHEMBL4324187)	Inhibition of p38-beta (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	6	ChEMBL_1824424 (CHEMBL4324188)	Inhibition of DDR1 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	7	ChEMBL_1824425 (CHEMBL4324189)	Inhibition of KIT (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	8	ChEMBL_1824427 (CHEMBL4324191)	Inhibition of RSK4 kinase domain 1 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	9	ChEMBL_1824428 (CHEMBL4324192)	Inhibition of DDR2 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007065	10	ChEMBL_1824429 (CHEMBL4324193)	Inhibition of MYLK4 (unknown origin) expressed in human HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007066	1	ChEMBL_1824435 (CHEMBL4324199)	Antagonist activity at recombinant human CCR9A expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins followed by addition of CCL25 and measured after 120 min by QUANT dye based fluorescence assay
50007066	2	ChEMBL_1824436 (CHEMBL4324200)	Antagonist activity at recombinant human CCR9B expressed in BAF3 cells assessed as reduction in CCL25-induced chemotaxis preincubated for 10 mins followed by addition of CCL25 and measured after 120 min by QUANT dye based fluorescence assay
50007067	1	ChEMBL_1824445 (CHEMBL4324209)	Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-binding method
50007067	2	ChEMBL_1824446 (CHEMBL4324210)	Inhibition of V5 tagged human ASK1 expressed in HEK-293T cells assessed as reduction in T838 autophosphorylation incubated for 1 hr
50007068	1	ChEMBL_1824459 (CHEMBL4324223)	Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	2	ChEMBL_1824460 (CHEMBL4324224)	Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	4	ChEMBL_1824509 (CHEMBL4324273)	Inhibition of NS5A in HCV genotype 1a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	5	ChEMBL_1824494 (CHEMBL4324258)	Inhibition of NS5A in HCV genotype 3a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	6	ChEMBL_1824512 (CHEMBL4324276)	Inhibition of NS5A in HCV genotype 4a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	7	ChEMBL_1824513 (CHEMBL4324277)	Inhibition of NS5A in HCV genotype 6a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay
50007068	8	ChEMBL_1824514 (CHEMBL4324278)	Inhibition of CYP3A4 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysis relative to control
50007068	9	ChEMBL_1824515 (CHEMBL4324279)	Inhibition of CYP2D6 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysis relative to control
50007068	11	ChEMBL_1824516 (CHEMBL4324280)	Inhibition of CYP2C9 in pooled human liver microsomes pre-incubated for 5 mins before NADPH addition and measured after 10 mins by UPLC-MS/MS analysis relative to control
50007069	1	ChEMBL_1824537 (CHEMBL4324301)	Inhibition of recombinant full length human His-tagged CDK5/p35 expressed in baculovirus expression system
50007069	2	ChEMBL_1824522 (CHEMBL4324286)	Inhibition of ERK1/2 in human A375 cells assessed as inhibition of ERK phosphorylation after 2 hrs
50007069	3	ChEMBL_1824523 (CHEMBL4324287)	Inhibition of ERK1/2 in human A375 cells assessed as inhibition of RSK phosphorylation after 2 hrs
50007069	4	ChEMBL_1824533 (CHEMBL4324297)	Inhibition of human ERG
50007069	5	ChEMBL_1824521 (CHEMBL4324285)	Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence of 1 mM ATP after 10 mins by rapidfire mass spectrometry analysis
50007069	6	ChEMBL_1824520 (CHEMBL4324284)	Inhibition of MEK U911-activated ERK2 (unknown origin) using ERKtide as substrate preincubated for 20 mins followed by substrate addition in presence of ATP at Km concentration after 20 mins by rapidfire mass spectrometry analysis
50007069	7	ChEMBL_1824535 (CHEMBL4324299)	Inhibition of recombinant full length human His-tagged ARK5 expressed in baculovirus expression system
50007069	8	ChEMBL_1824536 (CHEMBL4324300)	Inhibition of recombinant full length human GST/His-tagged CDK5/p25 expressed in baculovirus expression system
50007069	9	ChEMBL_1824543 (CHEMBL4324307)	Binding affinity to non-phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis
50007069	10	ChEMBL_1824544 (CHEMBL4324308)	Binding affinity to MEK-activated phosphorylated biotinylated ERK2 (unknown origin) by SPR analysis
50007069	11	ChEMBL_1824540 (CHEMBL4324304)	Inhibition of human full length C-terminal His6-tagged Cdk2/human full length N-terminal GST-tagged Cyclin E expressed in baculovirus infected Sf21 insect cells after 1 hr by electromobility shift assay
50007070	1	ChEMBL_1824582 (CHEMBL4324346)	Induction of ERalpha degradation in human MCF7 cells incubated for 4 hrs by Alexafluor-488 conjugate anti-rabbit antibody/Syto-64 staining based immunofluorescence analysis
50007071	1	ChEMBL_1824646 (CHEMBL4324410)	Inhibition of recombinant rat His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using H4-21 peptide as susbtrate preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH enzyme coupled assay
50007071	2	ChEMBL_1824604 (CHEMBL4324368)	Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells using nicotinamide as substrate preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH-coupled assay
50007071	3	ChEMBL_1824603 (CHEMBL4324367)	Inhibition of human NNMT using nicotinamide as substrate preincubated for 30 mins followed by substrate addition in presence of AdoMet and measured after 1 hr by LC-MS/MS analysis
50007071	4	ChEMBL_1824605 (CHEMBL4324369)	Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells using nicotinamide as substrate preincubated for 30 mins in presence of AdoMet followed by substrate addition by SAHH enzyme coupled fluorescence assay based Morrison equation analysis
50007071	5	ChEMBL_1824607 (CHEMBL4324371)	Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells using nicotinamide as substrate preincubated for 90 mins in presence of AdoMet followed by substrate addition by SAHH enzyme coupled fluorescence assay based Morrison equation analysis
50007071	6	ChEMBL_1824642 (CHEMBL4324406)	Inhibition of human N-terminal His6 tagged PNMT using norepinephrine as substrate preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH enzyme coupled assay
50007071	7	ChEMBL_1824643 (CHEMBL4324407)	Inhibition of human N- terminal His6 tagged human INMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL using tryptamine as substrate preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH enzyme coupled assay
50007071	8	ChEMBL_1824644 (CHEMBL4324408)	Inhibition of recombinant human G9a (913 to 1193 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL using H3-21 peptide preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH enzyme coupled assay
50007071	9	ChEMBL_1824649 (CHEMBL4324413)	Inhibition of SAHH (unknown origin) using SAH as substrate preincubated for 10 mins followed by susbtrate addition by fluorescence based assay
50007071	10	ChEMBL_1824606 (CHEMBL4324370)	Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells using nicotinamide as substrate preincubated for 60 mins in presence of AdoMet followed by substrate addition by SAHH enzyme coupled fluorescence assay based Morrison equation analysis
50007071	11	ChEMBL_1824648 (CHEMBL4324412)	Inhibition of NTMT1 (unknown origin) using GPKRIA peptide as substrate preincubated for 10 mins in presence of AdoMet followed by susbtrate addition by fluorescence based SAHH enzyme coupled assay
50007071	12	ChEMBL_1824608 (CHEMBL4324372)	Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells using nicotinamide as substrate preincubated for 120 mins in presence of AdoMet followed by substrate addition by SAHH enzyme coupled fluorescence assay based Morrison equation analysis
50007071	13	ChEMBL_1824645 (CHEMBL4324409)	Inhibition of recombinant human His-tagged SETD7 (1 to 366 residues) expressed in Escherichia coli using H3-21 peptide as susbtrate preincubated for 10 mins in presence of AdoMet followed by substrate addition by fluorescence based SAHH enzyme coupled assay
50007072	1	ChEMBL_1824655 (CHEMBL4324419)	Agonist activity at human APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HTRF assay
50007072	2	ChEMBL_1824656 (CHEMBL4324420)	Agonist activity at rat APJ-R expressed in HEK293 cells assessed as inhibition of forskolin- stimulated cAMP accumulation incubated for 30 mins by HTRF assay
50007074	1	ChEMBL_1824678 (CHEMBL4324442)	Binding affinity to AhR (unknown origin) relative to TCDD
50007074	2	ChEMBL_1824677 (CHEMBL4324441)	Displacement of [3H]TCDD from mouse AhR
50007074	3	ChEMBL_1824676 (CHEMBL4324440)	Displacement of [3H] 3-MC from AhR (unknown origin)
50007074	4	ChEMBL_1824675 (CHEMBL4324439)	Agonist activity at AhR (unknown origin)
50007074	5	ChEMBL_1824673 (CHEMBL4324437)	Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR incubated for 20 mins by gamma counting based autoradiography
50007074	6	ChEMBL_1824671 (CHEMBL4324435)	Binding affinity to AhR (unknown origin)
50007074	7	ChEMBL_1824679 (CHEMBL4324443)	Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR relative to TCDD
50007074	8	ChEMBL_1824674 (CHEMBL4324438)	Inhibition of AhR (unknown origin)
50007074	9	ChEMBL_1824672 (CHEMBL4324436)	Displacement of 2-azido-3-[125I]7,8-dibromodibenzo-pdioxin from C57BL/6J mouse liver AhR
50007076	1	ChEMBL_1824698 (CHEMBL4324462)	Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constant
50007076	2	ChEMBL_1824701 (CHEMBL4324465)	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes by radioligand binding assay
50007076	3	ChEMBL_1824682 (CHEMBL4324446)	Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)
50007076	4	ChEMBL_1824694 (CHEMBL4324458)	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 1 hr by gamma counting method
50007076	5	ChEMBL_1824695 (CHEMBL4324459)	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 1 hr by gamma counting method
50007076	6	ChEMBL_1824696 (CHEMBL4324460)	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50007076	7	ChEMBL_1824697 (CHEMBL4324461)	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50007076	8	ChEMBL_1824699 (CHEMBL4324463)	Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant
50007076	9	ChEMBL_1824700 (CHEMBL4324464)	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes by radioligand binding assay
50007076	10	ChEMBL_1824703 (CHEMBL4324467)	Displacement of 2-[125I]iodomelatonin from chick brain melatonin receptor
50007076	11	ChEMBL_1824689 (CHEMBL4324453)	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method
50007076	12	ChEMBL_1824690 (CHEMBL4324454)	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method
50007077	1	ChEMBL_1824705 (CHEMBL4324469)	Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulated IL-17 secretion after 48 hrs by ELISA
50007077	2	ChEMBL_1824704 (CHEMBL4324468)	Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay
50007077	4	ChEMBL_1824708 (CHEMBL4324472)	Inverse agonist activity at RORgammat in human whole blood assessed as reduction in Con A/IL-23-stimulated IL-17 secretion after 72 hrs by ELISA
50007077	11	ChEMBL_1824737 (CHEMBL4324501)	Inhibition of human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells assessed as inhibition of receptor transactivation after 24 hrs by luciferase reporter gene assay
50007078	1	ChEMBL_1824777 (CHEMBL4324541)	Inhibition of recombinant human full length His6-tagged PI4KIII beta expressed in Sf9 cells incubated for 10 mins by scintillation counting method
50007078	2	ChEMBL_1824743 (CHEMBL4324507)	Inhibition of recombinant human full length His6-tagged PI4KIII beta expressed in Sf9 cells incubated for 0 mins in presence of [gamma-33P ATP] by scintillation counting method
50007078	3	ChEMBL_1824761 (CHEMBL4324525)	Binding affinity to human serum albumin assessed as dissociation constant incubated for 30 mins by spectrofluorimetry
50007078	4	ChEMBL_1824744 (CHEMBL4324508)	Inhibition of recombinant human full length His6-tagged PI4KIII beta expressed in Sf9 cells incubated for 5 mins in presence of [gamma-33P ATP] by scintillation counting method
50007078	5	ChEMBL_1824745 (CHEMBL4324509)	Inhibition of recombinant human full length His6-tagged PI4KIII beta expressed in Sf9 cells incubated for 20 mins in presence of [gamma-33P ATP] by scintillation counting method
50007079	1	ChEMBL_1824782 (CHEMBL4324546)	Inhibition of recombinant full length human His-tagged MEK1 expressed in baculovirus expression system using ERK K52R dead variant as substrate preincubated for 20 mins followed by incubation with 33P-ATP addition for 2 hrs by hotspot kinase assay
50007079	2	ChEMBL_1824783 (CHEMBL4324547)	Inhibition of recombinant full length human His-tagged MEK2 expressed in baculovirus expression system using ERK K52R dead variant as substrate preincubated for 20 mins followed by incubation with 33P-ATP for 2 hrs by hotspot kinase assay
50007080	1	ChEMBL_1824918 (CHEMBL4324682)	Antagonist activity at CXCR2 (unknown origin) expressed in human U2OS cells cp-expressing betaarrestin-2/TEV protease and beta lactamase assessed as effect on beta-arrestin2 recruitment preincubated for 30 mins followed by IL-8 addition and further incubated for 5 hrs subsequently adding CCF4-AM staining and measured after 2 hrs by Tango assay
50007080	2	ChEMBL_1824908 (CHEMBL4324672)	Displacement of [125I]IL-8 from human CXCR2 expressed in CHO cells
50007080	3	ChEMBL_1824903 (CHEMBL4324667)	Displacement of [125I]IL-8 from CXCR1 (unknown origin) stably expressed in CHO cells
50007080	4	ChEMBL_1824904 (CHEMBL4324668)	Displacement of [125I]IL-8 from CXCR2 (unknown origin) stably expressed in CHO cells
50007080	5	ChEMBL_1824906 (CHEMBL4324670)	Antagonist activity at CXCR2 (unknown origin) stably expressed in HEK293 cells co-expressing Galpha16 assessed as reduction in IL-8-induced intracellular calcium change incubated for 10 mins by Fluo-4AM dye based fluorescence assay
50007080	6	ChEMBL_1824907 (CHEMBL4324671)	Antagonist activity at CXCR2 (unknown origin) by [35S]-GTPgammaS binding assay
50007080	7	ChEMBL_1824902 (CHEMBL4324666)	Antagonist activity at CXCR2 (unknown origin)
50007080	8	ChEMBL_1824911 (CHEMBL4324675)	Antagonist activity at CXCR1 (unknown origin) stably expressed in HEK293 cells co-expressing Galpha16 assessed as reduction in IL-8-induced intracellular calcium change incubated for 10 mins by Fluo-4AM dye based fluorescence assay
50007080	9	ChEMBL_1824914 (CHEMBL4324678)	Displacement of [125I]IL-8 from CXCR2 in human neutrophils incubated for 3 hrs by gamma counting method
50007080	10	ChEMBL_1824917 (CHEMBL4324681)	Antagonist activity at GFP-tagged CXCR2 (unknown origin) expressed in 293T cells assessed as suppression of IL-8-induced inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 mins followed by IL-8 addition and measured after 10 mins by cAMP assay
50007080	11	ChEMBL_1824910 (CHEMBL4324674)	Inhibition of CXCR2-mediated chemotaxis in mouse BAF3 cells
50007080	12	ChEMBL_1824913 (CHEMBL4324677)	Displacement of [125I]IL-8 from CXCR1 in human neutrophils incubated for 3 hrs by gamma counting method
50007080	13	ChEMBL_1824919 (CHEMBL4324683)	Antagonist activity at CXCR2 in human neutrophils assessed as reduction in GRO-alpha mediated chemotaxis
50007080	14	ChEMBL_1824916 (CHEMBL4324680)	Antagonist activity at CXCR2 in human U2OS cells assessed as effect on beta-arrestin2 recruitment by CCF4-AM staining based Tango assay
50007080	15	ChEMBL_1824909 (CHEMBL4324673)	Antagonist activity at CXCR2 in human neutrophils assessed as reduction in GROalpha stimulated intracellular calcium mobilisation by FLIPR assay
50007083	1	ChEMBL_1824925 (CHEMBL4324689)	Displacement of [3H]DAMGO from rat MOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting
50007083	2	ChEMBL_1824926 (CHEMBL4324690)	Displacement of [3H]DPDPE from rat DOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting
50007083	3	ChEMBL_1824927 (CHEMBL4324691)	Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting
50007083	4	ChEMBL_1824934 (CHEMBL4324698)	Agonist activity at rat DOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting
50007083	5	ChEMBL_1824930 (CHEMBL4324694)	Agonist activity at rat MOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting
50007083	6	ChEMBL_1824938 (CHEMBL4324702)	Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting
50007085	1	ChEMBL_1824954 (CHEMBL4324718)	Antagonist activity at CCR2b in human THP1 cells assessed as inhibition of human MCP1 induced calcium flux by fluo-4 dye based fluorescence assay
50007085	2	ChEMBL_1824953 (CHEMBL4324717)	Displacement of [3H]-CCR2-RA-[R] from human CCR2 expressed in human U2OS cells incubated for 2 hrs by scintillation spectrometric method
50007085	3	ChEMBL_1824960 (CHEMBL4324724)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.10 +/- 0.06 No_unit)
50007085	4	ChEMBL_1824956 (CHEMBL4324720)	Antagonist activity at human TEV cleavage site-linked CCR5 expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibition of CCL3-induced beta-arrestin recruitment incubated for 30 mins followed by CCL3 stimulation and measured after 16 hrs by Tango assay
50007085	5	ChEMBL_1824972 (CHEMBL4324736)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
50007085	6	ChEMBL_1824957 (CHEMBL4324721)	Antagonist activity at human TEV cleavage site-linked CCR2b expressed in human U2OS cells harboring beta-lactamase reporter gene assessed as inhibition of CCL2-induced beta-arrestin recruitment incubated for 30 mins followed by CCL2 stimulation and measured after 16 hrs by Tango assay
50007085	7	ChEMBL_1824964 (CHEMBL4324728)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
50007085	8	ChEMBL_1824952 (CHEMBL4324716)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTPgammaS binding at 10 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8 nM)
50007085	9	ChEMBL_1824968 (CHEMBL4324732)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8 nM)
50007085	10	ChEMBL_1824969 (CHEMBL4324733)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8 nM)
50007085	11	ChEMBL_1824974 (CHEMBL4324738)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
50007085	12	ChEMBL_1824959 (CHEMBL4324723)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GTPgammaS binding at 10 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.10 +/- 0.06 No_unit)
50007085	13	ChEMBL_1824963 (CHEMBL4324727)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GTPgammaS binding at 3 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.10 +/- 0.06 No_unit)
50007085	14	ChEMBL_1824970 (CHEMBL4324734)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTPgammaS binding at 1 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8 nM)
50007085	15	ChEMBL_1824971 (CHEMBL4324735)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as EC50 for CCL2-stimulated [35S]GTPgammaS binding at 3 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8 nM)
50007085	16	ChEMBL_1824966 (CHEMBL4324730)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 1000 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
50007085	17	ChEMBL_1824961 (CHEMBL4324725)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GTPgammaS binding at 100 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.10 +/- 0.06 No_unit)
50007085	18	ChEMBL_1824962 (CHEMBL4324726)	Non-competitive insurmountable antagonist activity at human CCR2 expressed in human U2OS cell membranes assessed as pEC50 for CCL2-stimulated [35S]GTPgammaS binding at 1 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.10 +/- 0.06 No_unit)
50007085	19	ChEMBL_1824967 (CHEMBL4324731)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
50007085	20	ChEMBL_1824965 (CHEMBL4324729)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as pEC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 8.42 +/- 0.06 No_unit)
50007085	21	ChEMBL_1824973 (CHEMBL4324737)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 300 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
50007085	22	ChEMBL_1824975 (CHEMBL4324739)	Non-competitive insurmountable antagonist activity at human CCR5 expressed in human U2OS cell membranes assessed as EC50 for CCL3-stimulated [35S]GTPgammaS binding at 30 nM preincubated for 30 mins followed by [35S]GTPgammaS addition and measured after 90 mins (Rvb = 4 nM)
50007088	1	ChEMBL_1824988 (CHEMBL4324752)	Antagonist activity at human P2X4 receptor tranfected in HEK293 cells assessed as inhibition of Bz-ATP-induced calcium influx incubated for 30 mins and measured every 2 secs for 120 secs by Fluo8-AM staining based FLIPR assay
50007088	2	ChEMBL_1825015 (CHEMBL4324779)	Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of Mg-ATP-induced calcium influx incubated for 30 mins and measured every 2 secs for 120 secs by Fluo8-AM staining based FLIPR assay
50007088	3	ChEMBL_1825024 (CHEMBL4324788)	Inhibition of carbonic anhydrase 2 (unknown origin)
50007088	4	ChEMBL_1825046 (CHEMBL4324810)	Antagonist activity at human P2X4 receptor tranfected in human HEK293 cells at -60 mv holding potential by Whole cell patch-clamp method
50007088	5	ChEMBL_1825003 (CHEMBL4324767)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50007088	6	ChEMBL_1825001 (CHEMBL4324765)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50007088	7	ChEMBL_1825016 (CHEMBL4324780)	Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of Mg-ATP-induced calcium influx incubated for 30 mins and measured every 2 secs for 120 secs by Fluo8-AM staining based FLIPR assay
50007088	8	ChEMBL_1825017 (CHEMBL4324781)	Antagonist activity at mouse P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of Mg-ATP-induced calcium influx incubated for 30 mins and measured every 2 secs for 120 secs by Fluo8-AM staining based FLIPR assay
50007088	9	ChEMBL_1825019 (CHEMBL4324783)	Antagonist activity at human P2X1 receptor
50007088	10	ChEMBL_1825021 (CHEMBL4324785)	Antagonist activity at human P2X3 receptor
50007088	11	ChEMBL_1825022 (CHEMBL4324786)	Antagonist activity at human P2X7 receptor
50007088	12	ChEMBL_1825040 (CHEMBL4324804)	Antagonist activity at human P2X4 receptor expressed in CHO cells assessed as reduction in ATP induced calcium influx
50007088	13	ChEMBL_1825041 (CHEMBL4324805)	Antagonist activity at human P2X4 receptor expressed in HEK cells assessed as reduction in ATP induced calcium influx
50007088	14	ChEMBL_1825042 (CHEMBL4324806)	Antagonist activity at human P2X4 receptor expressed in HEK cells by Qpatch method
50007088	15	ChEMBL_1825047 (CHEMBL4324811)	Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 15 mins by Fluo2-AM staining based method
50007088	16	ChEMBL_1825000 (CHEMBL4324764)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50007088	17	ChEMBL_1825020 (CHEMBL4324784)	Antagonist activity at human P2X2 receptor
50007088	18	ChEMBL_1825043 (CHEMBL4324807)	Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method
50007088	19	ChEMBL_1824994 (CHEMBL4324758)	Antagonist activity at human DAT receptor by scintillation counting method
50007088	20	ChEMBL_1824999 (CHEMBL4324763)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50007088	21	ChEMBL_1825045 (CHEMBL4324809)	Antagonist activity at human P2X4 receptor tranfected in human HEK293 cells assessed as inhibition of ATP-induced calcium influx by Fluo2-AM staining based inverted fluorescence microscopic method
50007088	22	ChEMBL_1824998 (CHEMBL4324762)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50007088	23	ChEMBL_1825018 (CHEMBL4324782)	Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of inhibition of ATP-evoked current at -90 mV holding potential by Qpatch method
50007088	24	ChEMBL_1825023 (CHEMBL4324787)	Inhibition of human ERG
50007088	25	ChEMBL_1825044 (CHEMBL4324808)	Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method
50007089	1	ChEMBL_1825162 (CHEMBL4324926)	Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by scintillation counting method
50007089	2	ChEMBL_1825157 (CHEMBL4324921)	Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50007089	3	ChEMBL_1825159 (CHEMBL4324923)	Displacement of [3H]-norBNI from human delta opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50007089	4	ChEMBL_1825169 (CHEMBL4324933)	Antagonist activity at mouse mu opioid receptor expressed in CHO cells cotransfected with Galphaqi5 assessed as inhibition of DAMGO-induced increase in intracellular calcium concentration preincubated for 60 mins in Fluo4AM solution followed by compound addition and further incubated for 15 mins followed by DAMGO stimulation by Fluo4AM dye based assay
50007089	5	ChEMBL_1825158 (CHEMBL4324922)	Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50007089	6	ChEMBL_1825156 (CHEMBL4324920)	Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50007089	7	ChEMBL_1825155 (CHEMBL4324919)	Displacement of [3H]-diprenorphine from mouse delta opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50007089	8	ChEMBL_1825154 (CHEMBL4324918)	Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP formation incubated for 8 min followed by forskolin stimulation by ELISA
50007091	1	ChEMBL_1825185 (CHEMBL4324949)	Inhibition of HDAC6 CD2 domain (unknown origin)
50007091	2	ChEMBL_1825184 (CHEMBL4324948)	Inhibition of human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHKKAc as substrate
50007091	3	ChEMBL_1825183 (CHEMBL4324947)	Inhibition of recombinant C-terminal FLAG-tagged HDAC6 (unknown origin) using Ac-NH-GGK(Ac)-AMC as substrate measured after 180 mins by fluorescence assay
50007092	1	ChEMBL_1825186 (CHEMBL4324950)	Agonist activity at human IR-beta signalling expressed in mouse 3T3 cells assessed as AKT phosphorylation at Ser473 residue after 30 mins by HTRF assay
50007096	1	ChEMBL_1825300 (CHEMBL4325064)	Inhibition of CYP2C9 (unknown origin)
50007096	2	ChEMBL_1825301 (CHEMBL4325065)	Inhibition of CYP2D6 (unknown origin)
50007096	3	ChEMBL_1825299 (CHEMBL4325063)	Inhibition of CYP3A4 (unknown origin)
50007099	1	ChEMBL_1825327 (CHEMBL4325091)	Inhibition of biotinylated-heparin binding to recombinant HIV1 3B gp120 by SPR analysis
50007100	1	ChEMBL_1825358 (CHEMBL4325122)	Induction of IRF3 pathway in STING knockout human THP1 cells measured after 20 hrs by luciferase reporter gene assay
50007100	2	ChEMBL_1825357 (CHEMBL4325121)	Agonist activity at STING in human THP1 cells assessed as stimulation of IRF3 pathway measured after 20 hrs by luciferase reporter gene assay
50007100	3	ChEMBL_1825362 (CHEMBL4325126)	Agonist activity at STING in human PBMC cells assessed as increase in IFNbeta release measured after 4 hrs by ELISA
50007100	4	ChEMBL_1825361 (CHEMBL4325125)	Inhibition of anti 6His antibody-labeled terbium cryptate binding to human wild-type full-length 6His-tagged d2-labeled STING measured after 4 hrs by HTRF assay
50007102	1	ChEMBL_1825411 (CHEMBL4325175)	Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after 40 mins in presence of [gamma-32P]ATP by scintillation proximity assay
50007102	2	ChEMBL_1825413 (CHEMBL4325177)	Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after 40 mins in presence of [gamma-32P]ATP by scintillation proximity assay
50007102	3	ChEMBL_1825412 (CHEMBL4325176)	Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after 40 mins in presence of [gamma-32P]ATP by scintillation proximity assay
50007103	1	ChEMBL_1825470 (CHEMBL4325234)	Agonist activity at recombinant human V1b receptor expressed in RBL cells by calcium no wash plus assay
50007103	2	ChEMBL_1825463 (CHEMBL4325227)	Agonist activity at recombinant human Gi/Go-coupled OTR expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins in presence of 10% FBS by pathhunter assay
50007103	3	ChEMBL_1825465 (CHEMBL4325229)	Agonist activity at recombinant human Gi/Go-coupled OTR expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins in absence of 10% FBS by pathhunter assay
50007103	4	ChEMBL_1825469 (CHEMBL4325233)	Agonist activity at recombinant human V1a receptor expressed in CHO cells by calcium no wash plus assay
50007103	5	ChEMBL_1825471 (CHEMBL4325235)	Agonist activity at recombinant human V2 receptor expressed in CHOK1 cells assessed as increase in cAMP level measured after 30 mins by HTRF assay
50007105	1	ChEMBL_1825493 (CHEMBL4325257)	Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/human recombinant full-length untagged p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of biotin-PIP3 by HTRF assay
50007105	2	ChEMBL_1825496 (CHEMBL4325260)	Inhibition of recombinant human full-length N-terminal His6-tagged p120gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of biotin-PIP3 by HTRF assay
50007105	3	ChEMBL_1825495 (CHEMBL4325259)	Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of biotin-PIP3 by HTRF assay
50007105	4	ChEMBL_1825500 (CHEMBL4325264)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytostim stimulation and measured after 20 hrs by electrochemiluminescence assay
50007105	5	ChEMBL_1825494 (CHEMBL4325258)	Inhibition of recombinant human full-length N-terminal His6-tagged p110alpha/human recombinant full-length untagged p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of biotin-PIP3 by HTRF assay
50007105	6	ChEMBL_1825559 (CHEMBL4325323)	Binding affinity to PI3Kgamma in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	7	ChEMBL_1825526 (CHEMBL4325290)	Binding affinity to PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	8	ChEMBL_1825529 (CHEMBL4325293)	Inhibition of PI3Kdelta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	9	ChEMBL_1825530 (CHEMBL4325294)	Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	10	ChEMBL_1825557 (CHEMBL4325321)	Binding affinity to PI3Kalpha in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	11	ChEMBL_1825558 (CHEMBL4325322)	Binding affinity to PI3Kbeta in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007105	12	ChEMBL_1825527 (CHEMBL4325291)	Binding affinity to VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assay
50007107	1	ChEMBL_1825599 (CHEMBL4325363)	Inhibition of ATP-specific reporter probe binding to CDC7 (unknown origin) assessed as equilibrium dissociation constant incubated for 60 mins by proteros reporter displacement assay
50007107	2	ChEMBL_1825561 (CHEMBL4325325)	Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system using MCM2 as substrate preincubated with enzyme for 10 mins prior to 1 uM ATP addition by HTRF transcreener ADP assay
50007107	3	ChEMBL_1825563 (CHEMBL4325327)	Inhibition of N-terminal GST-tagged human ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using biotin-STK-substrate 2 as substrate preincubated with enzyme for 5 mins followed by ATP addition and measured after 2 hrs by TR-FRET assay
50007107	4	ChEMBL_1825566 (CHEMBL4325330)	Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system using MCM2 as substrate in presence of 50 uM ATP by HTRF transcreener ADP assay
50007107	5	ChEMBL_1825568 (CHEMBL4325332)	Inhibition of CDC7 in human HeLa cells assessed as inhibition of MCM2 phosphorylation at Ser40 residue in human HeLa cells after 7 hrs by Western blot analysis
50007107	6	ChEMBL_1825562 (CHEMBL4325326)	Inhibition of N-terminal GST-tagged full-length human CDK2 (1 to 298 residues)/Cyclin E (1 to 410 residues) expressed in baculovirus expression system using histone H1 as susbtrate after 90 mins by Kinase-Glo luminescence assay
50007107	7	ChEMBL_1825581 (CHEMBL4325345)	Inhibition of kinase tracer 236 binding to recombinant full-length human His-tagged CDK8/CyclinC expressed in baculovirus expression system by Lanthascreen Eu kinase binding assay
50007107	8	ChEMBL_1825612 (CHEMBL4325376)	Binding affinity to CDC7 (unknown origin) assessed as equilibrium dissociation constant
50007107	9	ChEMBL_1825567 (CHEMBL4325331)	Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system using MCM2 as substrate preincubated with enzyme for 60 mins prior to 50 uM ATP addition by HTRF transcreener ADP assay
50007107	10	ChEMBL_1825572 (CHEMBL4325336)	Inhibition of recombinant full-length human GST-tagged DYRK1B expressed in baculovirus expression system by Z'-LYTE assay
50007107	11	ChEMBL_1825583 (CHEMBL4325347)	Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli by Z'-LYTE assay
50007107	12	ChEMBL_1825582 (CHEMBL4325346)	Inhibition of recombinant human N-terminal GST-tagged DAPK1 catalytic domain (1 to 363 residues) expressed in baculovirus expression system by Adapta kinase assay
50007107	13	ChEMBL_1825573 (CHEMBL4325337)	Inhibition of kinase tracer 236 binding to recombinant full-length human GST-tagged DMPK expressed in baculovirus expression system by Lanthascreen Eu kinase binding assay
50007107	14	ChEMBL_1825571 (CHEMBL4325335)	Inhibition of recombinant full-length human GST-tagged DYRK1A expressed in baculovirus expression system by Z'-LYTE assay
50007107	15	ChEMBL_1825579 (CHEMBL4325343)	Inhibition of recombinant full-length human N-terminal GST-tagged HIPK4 expressed in baculovirus expression system by Z'-LYTE assay
50007108	1	ChEMBL_1825663 (CHEMBL4325427)	Inhibition of p300 (unknown origin) using histone H3 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate and [3H]acetyl-CoA addition and measured after 60 mins by scintillation counting analysis
50007108	2	ChEMBL_1825661 (CHEMBL4325425)	Inhibition of recombinant human N-terminal 6His-FLAG-tagged p300 BHC domain (1036 to 1822 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H4 peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by acetyl-CoA by TR-FRET assay
50007108	3	ChEMBL_1825659 (CHEMBL4325423)	Inhibition of recombinant human N-terminal His-GST-tagged p300 (965 to 1810 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 10 mins in presence of biotinylated-histone H3/H4 followed by acetyl-CoA addition and measured after 10 mins by time-resolved fluorescence assay
50007108	4	ChEMBL_1825657 (CHEMBL4325421)	Inhibition of recombinant human full-length His6-tagged p300 expressed in baculovirus infected Sf21 insect cells using [3H]acetylCoA as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by liquid scintillation counting method
50007108	5	ChEMBL_1825656 (CHEMBL4325420)	Inhibition of recombinant human p300 using [14C]acetyl-CoA as substrate measured after 10 mins by phosphor imaging analysis
50007108	6	ChEMBL_1825660 (CHEMBL4325424)	Inhibition of recombinant human p300 (unknown origin) using [3H]acetylCoA as substrate measured after 60 mins by microbeta scintillation counting analysis
50007108	7	ChEMBL_1825680 (CHEMBL4325444)	Inhibition of NatD (unknown origin)
50007108	8	ChEMBL_1825682 (CHEMBL4325446)	Inhibition of KAT7 (unknown origin)
50007108	9	ChEMBL_1825706 (CHEMBL4325470)	Inhibition of human ERG
50007108	10	ChEMBL_1825658 (CHEMBL4325422)	Inhibition of VMA intein chitin binding domain-fused P300 (unknown origin) (1287 to 1652 residues) expressed in Escherichia coli BL21(RIL)-DE3 cells using [12C]-acetyl-CoA/[14C]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by phosphor imaging analysis
50007108	11	ChEMBL_1825681 (CHEMBL4325445)	Inhibition of PCAF (unknown origin)
50007108	12	ChEMBL_1825679 (CHEMBL4325443)	Inhibition of GCN5 (unknown origin)
50007108	13	ChEMBL_1825683 (CHEMBL4325447)	Inhibition of MOF (unknown origin)
50007108	14	ChEMBL_1825678 (CHEMBL4325442)	Inhibition of HAT1 (unknown origin)
50007110	1	ChEMBL_1825747 (CHEMBL4325511)	Inhibition of human ERG stably expressed in CHO cells at -80 mV by automated Qpatch electrophysiological assay
50007111	1	ChEMBL_1825753 (CHEMBL4325517)	Inhibition of recombinant human microsomal MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by amplex red reagent-based horseradish peroxidase-coupled fluorometric assay
50007111	2	ChEMBL_1825752 (CHEMBL4325516)	Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by amplex red reagent-based horseradish peroxidase-coupled fluorometric assay
50007111	3	ChEMBL_1825767 (CHEMBL4325531)	Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis
50007111	4	ChEMBL_1825766 (CHEMBL4325530)	Reversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis
50007111	5	ChEMBL_1825768 (CHEMBL4325532)	Irreversible inhibition of recombinant human MAOA expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis
50007111	6	ChEMBL_1825769 (CHEMBL4325533)	Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis
50007113	1	ChEMBL_1825818 (CHEMBL4325582)	Inhibition of recombinant CSF1R (unknown origin) using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA
50007113	2	ChEMBL_1825823 (CHEMBL4325587)	Inhibition of recombinant human N-terminal His6-tagged FGFR4 (442 to 755 residues) expressed in baculovirus infected Sf21 insect cells using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA
50007113	3	ChEMBL_1825819 (CHEMBL4325583)	Inhibition of recombinant human N-terminal GST-tagged FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 insect cells using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA
50007113	4	ChEMBL_1825820 (CHEMBL4325584)	Inhibition of recombinant human N-terminal His6-tagged FGFR2 (456 to 770 residues) expressed in baculovirus infected Sf21 insect cells using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA
50007113	5	ChEMBL_1825822 (CHEMBL4325586)	Inhibition of recombinant human N-terminal His6-tagged FGFR3 (447 to 761 residues) expressed in baculovirus infected Sf21 insect cells using poly (Glu, Tyr)4:1 as substrate measured after 1 hr by ELISA
50007113	6	ChEMBL_1825897 (CHEMBL4325661)	Inhibition of human ERG by Qpatch automatic patch-clamp assays
50007115	1	ChEMBL_1825899 (CHEMBL4325663)	Inhibition of human recombinant CYP3A4 expressed in supersomes assessed as decrease in formation of D-luciferin using luciferin-IPA as substrate incubated for 10 mins in presence of NADPH by P450-Glo luminescence assay
50007115	2	ChEMBL_1825916 (CHEMBL4325680)	Inhibition of CYP3A5 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A5 overexpressing human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate pretreated with doxycycline for 24 hrs followed by incubation with compound for 24 hrs by LC-MS/MS analysis
50007115	3	ChEMBL_1825901 (CHEMBL4325665)	Inhibition of human recombinant CYP3A5 expressed in supersomes assessed as decrease in formation of D-luciferin using luciferin-IPA as substrate incubated for 10 mins in presence of NADPH by P450-Glo luminescence assay
50007115	4	ChEMBL_1825913 (CHEMBL4325677)	Inhibition of CYP3A5 in wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by LC-MS/MS analysis
50007115	5	ChEMBL_1825915 (CHEMBL4325679)	Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate pretreated with doxycycline for 24 hrs followed by incubation with compound for 24 hrs by LC-MS/MS analysis
50007115	6	ChEMBL_1825917 (CHEMBL4325681)	Inhibition of CYP3A4 in CRISPR/Cas9-mediated CYP3A5 knock-out and doxycycline-induced CYP3A4 overexpressing human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate pretreated with doxycycline for 24 hrs followed by incubation with compound for 24 hrs by LC-MS/MS analysis
50007115	7	ChEMBL_1825929 (CHEMBL4325693)	Binding affinity to heme in His-tagged CYP3A5 (unknown origin) expressed in Escherichia coli DH5alpha assessed as changes in absorbance spectra of heme-compound complex by measuring dissociation constant by UV-vis spectrophotometric titration analysis
50007115	8	ChEMBL_1825914 (CHEMBL4325678)	Inhibition of CYP3A5 in lentiviral pLVX-TRE3G-ZsGreen1-CYP3A5 transduced wild type human AsPC1 cells overexpressing CYP3A5 assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate after 24 hrs by LC-MS/MS analysis
50007115	9	ChEMBL_1825933 (CHEMBL4325697)	Binding affinity to His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli DH5alpha assessed as type 2 spectral shift by measuring dissociation constant by UV-vis spectrophotometric titration analysis
50007117	1	ChEMBL_1825946 (CHEMBL4325710)	Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50007117	2	ChEMBL_1825942 (CHEMBL4325706)	Inhibition of recombinant human Myc-DDK-tagged IDH1 R132H mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 45 mins by diaphorase/resazurin dye based assay
50007117	3	ChEMBL_1825945 (CHEMBL4325709)	Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50007117	4	ChEMBL_1825941 (CHEMBL4325705)	Inhibition of recombinant human Myc-DDK-tagged IDH1 R132C mutant using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 45 mins by diaphorase/resazurin dye based assay
50007117	5	ChEMBL_1825947 (CHEMBL4325711)	Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire high-throughput mass spectrometric assay
50007117	6	ChEMBL_1825948 (CHEMBL4325712)	Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire high-throughput mass spectrometric assay
50007117	7	ChEMBL_1825949 (CHEMBL4325713)	Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire high-throughput mass spectrometric assay
50007117	8	ChEMBL_1825952 (CHEMBL4325716)	Inhibition of IDH2 R172K mutant (unknown origin)
50007117	9	ChEMBL_1825953 (CHEMBL4325717)	Inhibition of IDH2 R140Q mutant (unknown origin)
50007117	10	ChEMBL_1825940 (CHEMBL4325704)	Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire high-throughput mass spectrometric assay
50007117	11	ChEMBL_1825951 (CHEMBL4325715)	Inhibition of wild-type IDH1 (unknown origin)
50007117	12	ChEMBL_1825950 (CHEMBL4325714)	Inhibition of human Myc-DDK-tagged IDH1 R132S mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by rapidfire high-throughput mass spectrometric assay
50007118	1	ChEMBL_1825972 (CHEMBL4325736)	Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay
50007118	2	ChEMBL_1825984 (CHEMBL4325748)	Binding affinity to MDMX (unknown origin) by using (FITC)-labeled p53 peptide based fluorescence polarization competitive assay
50007119	1	ChEMBL_1825990 (CHEMBL4325754)	Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis
50007119	2	ChEMBL_1825987 (CHEMBL4325751)	Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis
50007119	3	ChEMBL_1825986 (CHEMBL4325750)	Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measured at 20 secs interval for 10 mins by fluorescence assay
50007119	4	ChEMBL_1825989 (CHEMBL4325753)	Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measured at 20 secs interval for 10 mins by fluorescence assay
50007119	5	ChEMBL_1826010 (CHEMBL4325774)	Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma
50007120	1	ChEMBL_1826027 (CHEMBL4325791)	Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and measured by FRET assay
50007121	1	ChEMBL_1826276 (CHEMBL4326150)	Displacement of [3H]prostaglandin E2 from human EP2 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting
50007121	2	ChEMBL_1826277 (CHEMBL4326151)	Agonist activity at recombinant human EP2 receptor expressed in HEK293 cells assessed as induction of cAMP accumulation after 30 mins
50007121	3	ChEMBL_1826278 (CHEMBL4326152)	Displacement of [3H]prostaglandin E2 from recombinant human full length EP1 receptor expressed in Chem-1 cell membranes after 60 mins by liquid scintillation counting
50007121	4	ChEMBL_1826285 (CHEMBL4326159)	Inhibition of recombinant human CYP3A4 using 7-benzyloxyquinoline fluorescent substrate in presence of NADPH-generating system after 15 mins
50007121	5	ChEMBL_1826279 (CHEMBL4326153)	Displacement of [3H]prostaglandin E2 from recombinant human full length EP3 receptor expressed in Chem-1 cell membranes after 60 mins by liquid scintillation counting
50007121	6	ChEMBL_1826280 (CHEMBL4326154)	Displacement of [3H]prostaglandin E2 from recombinant human full length EP4 receptor expressed in Chem-1 cell membranes after 60 mins by liquid scintillation counting
50007121	7	ChEMBL_1826288 (CHEMBL4326162)	Inhibition of recombinant human CYP2C19 using 3-cyano-7-ethoxycoumarin fluorescent substrate in presence of NADPH-generating system after 15 mins
50007121	8	ChEMBL_1826287 (CHEMBL4326161)	Inhibition of recombinant human CYP2C9 using 7-methoxy-4-(trifluoromethyl)coumarin fluorescent substrate in presence of NADPH-generating system after 15 mins
50007121	9	ChEMBL_1826286 (CHEMBL4326160)	Inhibition of recombinant human CYP2D6 using 3-(2-(N,N-diethyl-N-methylammonium)ethyl)-7-methoxy-4-methylcoumariniodide fluorescent substrate in presence of NADPH-generating system after 15 mins
50007121	10	ChEMBL_1826289 (CHEMBL4326163)	Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin fluorescent substrate in presence of NADPH-generating system after 15 mins
50007122	1	ChEMBL_1826377 (CHEMBL4326251)	Inhibition of human recombinant HDAC11 after 30 mins using fluorogenic substrate by fluorimetric assay
50007122	2	ChEMBL_1826375 (CHEMBL4326249)	Inhibition of human recombinant HDAC6 after 30 mins using fluorogenic substrate by fluorimetric assay
50007122	3	ChEMBL_1826376 (CHEMBL4326250)	Inhibition of human recombinant HDAC8 after 30 mins using fluorogenic substrate by fluorimetric assay
50007123	1	ChEMBL_1826419 (CHEMBL4326293)	Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins using isocitrate as substrate in presence of NADP by diaphorase/resazurin coupled fluorescence assay
50007124	1	ChEMBL_1826461 (CHEMBL4326335)	Inhibition of recombinant HPSE GS3 (unknown origin) using fondaparinux as substrate incubated for 3 hrs in absence of light by WST1 based colorimetry
50007125	1	ChEMBL_1826484 (CHEMBL4326358)	Agonist activity at GPR88 (unknown origin) expressed in PPLS-HA-GPR88 CHO cells assessed as effect on forskolin-induced cAMP accumulation after 30 mins by Eu-cAMP tracer-based TR-FRET assay
50007125	2	ChEMBL_1826487 (CHEMBL4326361)	Agonist activity at GPR88 in wild type mouse striatal membranes assessed as increase in [35S]-GTPgammaS binding after 1 hr by liquid scintillation counting
50007125	3	ChEMBL_1826492 (CHEMBL4326366)	Inhibition of human SERT expressed in HEK293 cells assessed as reduction in SERT-mediated substrate uptake after 30 mins by fluorescence-based assay
50007125	4	ChEMBL_1826494 (CHEMBL4326368)	Displacement of [3H]-Paroxetine from recombinant human full length SERT after 60 mins by scintillation counting
50007125	5	ChEMBL_1826496 (CHEMBL4326370)	Binding affinity to human full length KOR after 60 mins by radioligand-based scintillation counting
50007127	1	ChEMBL_1826524 (CHEMBL4326398)	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as reduction in dopachrome production after 20 mins by spectrophotometry
50007128	1	ChEMBL_1826557 (CHEMBL4326431)	Inhibition of full length human p110alpha/p85alpha using PIP2 as substrate after 30 mins by TR-FRET assay
50007128	2	ChEMBL_1826558 (CHEMBL4326432)	Inhibition of full length human His-tagged p110beta/p85alpha using PIP2 as substrate after 30 mins by TR-FRET assay
50007128	3	ChEMBL_1826559 (CHEMBL4326433)	Inhibition of full length human p110delta/p85alpha using PIP2 as substrate after 30 mins by TR-FRET assay
50007128	4	ChEMBL_1826560 (CHEMBL4326434)	Inhibition of full length human PI3Kgamma using PIP2 as substrate after 30 mins by TR-FRET assay
50007129	1	ChEMBL_1826717 (CHEMBL4326591)	Inhibition of N-terminal His-tagged recombinant human AXL (473 to end amino acids) expressed by baculovirus in Sf9 cells using axltide substrate and ATP by ADP-Glo luminescence assay
50007129	2	ChEMBL_1826776 (CHEMBL4326650)	Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007129	3	ChEMBL_1826773 (CHEMBL4326647)	Inhibition of human AuroraA using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50007129	4	ChEMBL_1826775 (CHEMBL4326649)	Inhibition of human MER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007129	5	ChEMBL_1826777 (CHEMBL4326651)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007129	6	ChEMBL_1826779 (CHEMBL4326653)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007129	7	ChEMBL_1826780 (CHEMBL4326654)	Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007129	8	ChEMBL_1826713 (CHEMBL4326587)	Inhibition of human recombinant GST-tagged cytoplasmic MER (578 to 872 residues) expressed in baculovirus expression system
50007129	9	ChEMBL_1826714 (CHEMBL4326588)	Inhibition AXL (unknown origin)
50007129	10	ChEMBL_1826716 (CHEMBL4326590)	Inhibition of TYRO3 (unknown origin)
50007129	11	ChEMBL_1826774 (CHEMBL4326648)	Inhibition of human AXL using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007129	12	ChEMBL_1826712 (CHEMBL4326586)	Inhibition of human recombinant His-tagged AXL (473 to end residues) expressed in insect expression system
50007129	13	ChEMBL_1826715 (CHEMBL4326589)	Inhibition MER (unknown origin)
50007129	14	ChEMBL_1826778 (CHEMBL4326652)	Inhibition of human PLK1 using casein as substrate by [gamma-33P]-ATP assay
50007130	1	ChEMBL_1826803 (CHEMBL4326677)	Binding affinity to recombinant human MyD88 TIR domain (157 to 296 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance analysis
50007132	1	ChEMBL_1826831 (CHEMBL4326705)	Inhibition of TTBK1 (unknown origin)
50007132	2	ChEMBL_1826833 (CHEMBL4326707)	Inhibition of FLT (unknown origin)
50007132	3	ChEMBL_1826829 (CHEMBL4326703)	Binding affinity to phosphorylated TTBK1 (unknown origin) by SPR analysis
50007132	4	ChEMBL_1826832 (CHEMBL4326706)	Inhibition of TTBK2 (unknown origin)
50007132	5	ChEMBL_1826834 (CHEMBL4326708)	Inhibition of KDR (unknown origin)
50007133	1	ChEMBL_1826836 (CHEMBL4326710)	Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrate
50007133	2	ChEMBL_1826838 (CHEMBL4326712)	Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idose as substrate
50007133	3	ChEMBL_1826844 (CHEMBL4326718)	Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation constant of enzyme-inhibitor-substrate complex using pNPP as substrate by double reciprocal plot analysis
50007133	4	ChEMBL_1826841 (CHEMBL4326715)	Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-inhibitor complex using pNPP as substrate by Michaelis-Menten plot analysis
50007133	5	ChEMBL_1826842 (CHEMBL4326716)	Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzyme-inhibitor complex using L-idose as substrate by Morrison's plot analysis
50007133	6	ChEMBL_1826845 (CHEMBL4326719)	Non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as dissociation constant of enzyme-inhibitor-substrate complex using pNPP as substrate by Michaelis-Menten plot analysis
50007133	7	ChEMBL_1826846 (CHEMBL4326720)	Uncompetitive inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21(DE3)pLysS assessed as dissociation constant of enzyme-inhibitor-substrate complex using L-idose as substrate by Morrison's plot analysis
50007133	8	ChEMBL_1826843 (CHEMBL4326717)	Mixed non-competitive inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system assessed as assessed as dissociation constant of enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot analysis
50007135	1	ChEMBL_1826850 (CHEMBL4326724)	Inhibition of recombinant human MMP-2 preincubated for 10 mins followed by Mca-PLGL-Dpa-AR-NH2 substrate addition and measured for 5 mins by fluorescence assay
50007135	2	ChEMBL_1826851 (CHEMBL4326725)	Inhibition of recombinant human MMP-8 using Mca-PLGL-Dpa-AR-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by fluorescence assay
50007137	1	ChEMBL_1826879 (CHEMBL4326753)	Inhibition of DOT1L (unknown origin)
50007138	1	ChEMBL_1826907 (CHEMBL4326781)	Inhibition of human DPP-4 using Ala-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 5 to 10 mins by fluorescence assay
50007138	2	ChEMBL_1826909 (CHEMBL4326783)	Inhibition of human recombinant DPP-9 using H-Gly-Pro-AMC as substrate after 10 mins by fluorescence assay
50007138	3	ChEMBL_1826908 (CHEMBL4326782)	Inhibition of human recombinant DPP-8 using H-Gly-Pro-AMC as substrate after 10 mins by fluorescence assay
50007139	1	ChEMBL_1826935 (CHEMBL4326809)	Inhibition of TRKA (unknown origin)
50007139	2	ChEMBL_1826928 (CHEMBL4326802)	Inhibition of Aurora A (unknown origin)
50007139	3	ChEMBL_1826930 (CHEMBL4326804)	Inhibition of DLK (unknown origin)
50007139	4	ChEMBL_1826931 (CHEMBL4326805)	Inhibition of ITK (unknown origin)
50007139	5	ChEMBL_1826933 (CHEMBL4326807)	Inhibition of MAPK14 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay
50007139	6	ChEMBL_1826934 (CHEMBL4326808)	Inhibition of PAK1 (unknown origin)
50007139	7	ChEMBL_1826936 (CHEMBL4326810)	Inhibition of LRRK2 (unknown origin)
50007139	8	ChEMBL_1826924 (CHEMBL4326798)	Inhibition of CDK5/p35 (unknown origin) in presence of ATP
50007139	9	ChEMBL_1826926 (CHEMBL4326800)	Inhibition of BTK (unknown origin)
50007139	10	ChEMBL_1826927 (CHEMBL4326801)	Inhibition of IKKbeta (unknown origin)
50007139	11	ChEMBL_1826923 (CHEMBL4326797)	Inhibition of CDK2/CyclinE (unknown origin) in presence of ATP
50007139	12	ChEMBL_1826925 (CHEMBL4326799)	Inhibition of CDK9 (unknown origin)
50007139	13	ChEMBL_1826929 (CHEMBL4326803)	Inhibition of Aurora B (unknown origin)
50007139	14	ChEMBL_1826932 (CHEMBL4326806)	Inhibition of JNK3 (unknown origin) after 22 mins by homogeneous time-resolved fluorescence assay
50007141	1	ChEMBL_1826942 (CHEMBL4326816)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 72 hrs by MTT assay (Rvb = 1353.98 +/- 303.33 nM)
50007141	2	ChEMBL_1826943 (CHEMBL4326817)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 1353.98 +/- 303.33 nM)
50007144	1	ChEMBL_1827085 (CHEMBL4326959)	Inhibition of Staphylococcus aureus SrtA
50007144	2	ChEMBL_1827102 (CHEMBL4326976)	Binding affinity to Pseudomonas aeruginosa LecB
50007144	3	ChEMBL_1827065 (CHEMBL4326939)	Inhibition of N-(Fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 22 to 24 hrs by fluorescence polarization assay
50007144	4	ChEMBL_1827064 (CHEMBL4326938)	Inhibition of N-(Fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB after 22 to 24 hrs by fluorescence polarization assay
50007144	5	ChEMBL_1827101 (CHEMBL4326975)	Inhibition of Pseudomonas aeruginosa LecB
50007144	6	ChEMBL_1827066 (CHEMBL4326940)	Inhibition of biotinylated polymeric fucose binding to Pseudomonas aeruginosa LecB expressed in Escherichia coli BL21(DE3) preincubated for 1 hr followed by biotinylated polymeric fucose addition and measured after 1 hr
50007145	1	ChEMBL_1827109 (CHEMBL4326983)	Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007145	2	ChEMBL_1827110 (CHEMBL4326984)	Binding affinity to human full-length JNK2 (M1 to Q382 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007145	3	ChEMBL_1827111 (CHEMBL4326985)	Binding affinity to human partial length JNK3 (V28 to Q422 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007145	4	ChEMBL_1827125 (CHEMBL4326999)	Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation and measured after 24 hrs by ELISA
50007145	5	ChEMBL_1827122 (CHEMBL4326996)	Binding affinity to human partial length TRKC (Q531 to G825 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007145	6	ChEMBL_1827123 (CHEMBL4326997)	Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stimulation and measured after 24 hrs by quanti-blue staining based alkaline phosphatase reporter gene assay
50007145	7	ChEMBL_1827120 (CHEMBL4326994)	Binding affinity to human partial length TRKA (G475 to G790 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007145	8	ChEMBL_1827121 (CHEMBL4326995)	Binding affinity to human partial length TRKB (Q547 to G838 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50007146	1	ChEMBL_1827134 (CHEMBL4327008)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30 mins by spectrophotometric method
50007149	1	ChEMBL_1827144 (CHEMBL4327018)	Inhibition of recombinant human endothelial lipase expressed in African green monkey COS7 cells using HDL as substrate pretreated for 10 mins followed by substrate addition and measured after 30 mins by LC/MS/MS analysis
50007149	2	ChEMBL_1827145 (CHEMBL4327019)	Inhibition of endothelial lipase (unknown origin) using D31-POPC-HDL as substrate after 2 hrs in presence of human serum by LC/MS analysis
50007151	1	ChEMBL_1827155 (CHEMBL4327029)	Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 insect cells using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by ELISA
50007151	2	ChEMBL_1827156 (CHEMBL4327030)	Agonist activity at recombinant human glucocorticoid receptor expressed in African green monkey CV1 cells by MMTV luciferase reporter gene assay
50007153	1	ChEMBL_1827357 (CHEMBL4327231)	Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes measured after 90 mins
50007153	2	ChEMBL_1827362 (CHEMBL4327236)	Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels after 30 mins by chemiluminescent assay
50007153	3	ChEMBL_1827358 (CHEMBL4327232)	Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins
50007154	1	ChEMBL_1827373 (CHEMBL4327247)	Inhibition of FTase (unknown origin) assessed as reduction in transfer of [3H]FPP to Ha-Ras
50007154	2	ChEMBL_1827374 (CHEMBL4327248)	Inhibition of FTase (unknown origin) assessed as reduction in transfer of [3H]FPP to Ki-Ras
50007154	3	ChEMBL_1827395 (CHEMBL4327269)	Inhibition of cathepsin G in human neutrophils using Suc-Ala-Ala-Pro-Phe-(p-nitroanilide) as substrate for 15 mins by spectrophotometric method
50007154	4	ChEMBL_1827388 (CHEMBL4327262)	Inhibition of COX2 (unknown origin)
50007154	5	ChEMBL_1827405 (CHEMBL4327279)	Antagonist activity at angiotensin-2 receptor (unknown origin)
50007154	6	ChEMBL_1827396 (CHEMBL4327270)	Inhibition of chymase in human mast cells using Suc-Ala-Ala-Pro-Phe-(p-nitroanilide) as substrate for 15 mins by spectrophotometric method
50007155	1	ChEMBL_1827410 (CHEMBL4327284)	Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate measured after 1 hr in presence of Adomet by fluorescence assay
50007155	2	ChEMBL_1827411 (CHEMBL4327285)	Inhibition of recombinant human N-terminal GST-fused G9a (786 to 1210 residues) expressed in Escherichia coli using biotinylated H3 (1 to 21 residues) as substrate measured after 1 hr in presence of 3H-Adomet by filter binding assay
50007155	3	ChEMBL_1827408 (CHEMBL4327282)	Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay
50007155	4	ChEMBL_1827409 (CHEMBL4327283)	Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topcount method
50007155	5	ChEMBL_1827406 (CHEMBL4327280)	Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay
50007155	6	ChEMBL_1827407 (CHEMBL4327281)	Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay
50007156	1	ChEMBL_1827452 (CHEMBL4327326)	Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins by fluorescence based assay
50007156	2	ChEMBL_1827453 (CHEMBL4327327)	Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins by fluorescence based assay
50007156	3	ChEMBL_1827458 (CHEMBL4327332)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate by Ellman's method
50007156	4	ChEMBL_1827463 (CHEMBL4327337)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method
50007156	5	ChEMBL_1827455 (CHEMBL4327329)	Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins by spectrophotometric assay
50007156	6	ChEMBL_1827456 (CHEMBL4327330)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50007156	7	ChEMBL_1827465 (CHEMBL4327339)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate by Ellman's method
50007159	1	ChEMBL_1827524 (CHEMBL4327398)	Binding affinity to PRMT5 (unknown origin)/MEP50 (unknown origin) by SPR assay
50007159	2	ChEMBL_1827497 (CHEMBL4327371)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay
50007159	3	ChEMBL_1827493 (CHEMBL4327367)	Inhibition of PRMT5 (unknown origin)
50007159	4	ChEMBL_1827492 (CHEMBL4327366)	Inhibition of full-length N-terminal FLAG-tagged PRMT5 (unknown origin) (1 to 637 residues) expressed in baculovirus infected Sf9 insect cells using histone H4 as peptide after 5 hrs in presence of [H3]AdoMet by scintillation proximity assay
50007159	5	ChEMBL_1827494 (CHEMBL4327368)	Inhibition of full-length human N-terminal FLAG-tagged PRMT5 expressed in Sf9 insect cells using histone H2A as peptide after 120 mins in presence of SAM by high throughput mass spectrometer assay
50007159	6	ChEMBL_1827496 (CHEMBL4327370)	Inhibition of human recombinant PRMT5/MEP50 expressed in 293-F cells using histone 4 peptide as substrate after 90 mins in presence of [3H]SAM by autoradiographic analysis
50007159	7	ChEMBL_1827499 (CHEMBL4327373)	Inhibition of PRMT4 (unknown origin) pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay
50007159	8	ChEMBL_1827495 (CHEMBL4327369)	Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H4 as substrate preincubated for 60 mins in presence of enzyme and SAM
50007159	9	ChEMBL_1827498 (CHEMBL4327372)	Inhibition of PRMT1 (unknown origin) pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay
50007160	1	ChEMBL_1827544 (CHEMBL4327418)	Inhibition of ZIKV 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to capped GpppAC4 RNA after 30 mins by microbeta liquid scintillation counting method
50007160	2	ChEMBL_1827543 (CHEMBL4327417)	Inhibition of DENV3 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to capped GpppAC4 RNA after 30 mins by microbeta liquid scintillation counting method
50007160	3	ChEMBL_1827545 (CHEMBL4327419)	Inhibition of WNV 2'-O-MTase assessed as reduction in [3H]AdoMet transfer on to capped GpppAC4 RNA after 30 mins by microbeta liquid scintillation counting method
50007161	1	ChEMBL_1827551 (CHEMBL4327425)	Displacement of [3H]dexamethasone from GR in human IM9 cells after 6 hrs by scintillation counting method
50007161	2	ChEMBL_1827553 (CHEMBL4327427)	Displacement of [3H]progesterone from progesterone receptor in human T47D cells after 20 hrs by scintillation counting method
50007162	1	ChEMBL_1827556 (CHEMBL4327430)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM
50007162	2	ChEMBL_1827560 (CHEMBL4327434)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 398.34 +/- 0.58 uM)
50007162	3	ChEMBL_1827561 (CHEMBL4327435)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 72 hrs by MTT assay (Rvb = 398.34 +/- 0.58 uM)
50007162	4	ChEMBL_1827565 (CHEMBL4327439)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 24 hrs by MTT assay (Rvb = 3837.57 uM)
50007162	5	ChEMBL_1827570 (CHEMBL4327444)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 48 hrs by MTT assay (Rvb = 1396.57 uM)
50007162	6	ChEMBL_1827566 (CHEMBL4327440)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 24 hrs by MTT assay (Rvb = 3837.57 uM)
50007162	7	ChEMBL_1827569 (CHEMBL4327443)	Reversal of P-gp-mediated drug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 48 hrs by MTT assay (Rvb = 1396.57 uM)
50007164	1	ChEMBL_1827605 (CHEMBL4327479)	Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as reduction in supercoiling of relaxed pBR322 DNA substrate after 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50007165	1	ChEMBL_1827612 (CHEMBL4327486)	Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured after 30 mins by spectrofluorimetric method
50007165	2	ChEMBL_1827613 (CHEMBL4327487)	Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM addition measured after 30 mins by spectrofluorimetric method
50007166	1	ChEMBL_1827619 (CHEMBL4327493)	Inhibition of recombinant human His-tagged VEGFR2 cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system measured after 1 hr by HTRF assay
50007166	2	ChEMBL_1827618 (CHEMBL4327492)	Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in Spodoptera frugiperda insect cells measured after 2 hrs by fluorescence polarization assay
50007167	1	ChEMBL_1828453 (CHEMBL4328327)	Inhibition of human c-MET using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50007167	2	ChEMBL_1828462 (CHEMBL4328336)	Inhibition of human CAMK2G using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	3	ChEMBL_1828471 (CHEMBL4328345)	Inhibition of human CDK16/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50007167	4	ChEMBL_1828445 (CHEMBL4328319)	Inhibition of human BMX using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50007167	5	ChEMBL_1828480 (CHEMBL4328354)	Inhibition of human CDK5/p25 using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	6	ChEMBL_1828489 (CHEMBL4328363)	Inhibition of human CHK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	7	ChEMBL_1828614 (CHEMBL4328488)	Inhibition of human MEK2 using ERK2 as substrate by [gamma-33P]-ATP assay
50007167	8	ChEMBL_1828623 (CHEMBL4328497)	Inhibition of human MKK4 using JNK1 as substrate by [gamma-33P]-ATP assay
50007167	9	ChEMBL_1828632 (CHEMBL4328506)	Inhibition of human MNK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	10	ChEMBL_1828667 (CHEMBL4328541)	Inhibition of human PAK1 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	11	ChEMBL_1828678 (CHEMBL4328552)	Inhibition of human PEAK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	12	ChEMBL_1828709 (CHEMBL4328583)	Inhibition of human PLK4 using casein as substrate by [gamma-33P]-ATP assay
50007167	13	ChEMBL_1828718 (CHEMBL4328592)	Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	14	ChEMBL_1828588 (CHEMBL4328462)	Inhibition of human JNK2 using ATF2 as substrate by [gamma-33P]-ATP assay
50007167	15	ChEMBL_1828596 (CHEMBL4328470)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	16	ChEMBL_1828605 (CHEMBL4328479)	Inhibition of human MAK using MBP as substrate by [gamma-33P]-ATP assay
50007167	17	ChEMBL_1828641 (CHEMBL4328515)	Inhibition of human MST3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	18	ChEMBL_1828650 (CHEMBL4328524)	Inhibition of human NEK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	19	ChEMBL_1828658 (CHEMBL4328532)	Inhibition of human NIM1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	20	ChEMBL_1828689 (CHEMBL4328563)	Inhibition of human PKCb2 using Histone H1 as substrate by [gamma-33P]-ATP assay
50007167	21	ChEMBL_1828699 (CHEMBL4328573)	Inhibition of human PKD2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	22	ChEMBL_1828496 (CHEMBL4328370)	Inhibition of human CK1gamma3 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	23	ChEMBL_1828503 (CHEMBL4328377)	Inhibition of human COT1 using MEK1 as substrate by [gamma-33P]-ATP assay
50007167	24	ChEMBL_1828512 (CHEMBL4328386)	Inhibition of human DLK using MBP as substrate by [gamma-33P]-ATP assay
50007167	25	ChEMBL_1828544 (CHEMBL4328418)	Inhibition of human FES using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	26	ChEMBL_1828554 (CHEMBL4328428)	Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	27	ChEMBL_1828564 (CHEMBL4328438)	Inhibition of human GRK7 using casein as substrate by [gamma-33P]-ATP assay
50007167	28	ChEMBL_1828425 (CHEMBL4328299)	Inhibition of human ACK1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	29	ChEMBL_1828432 (CHEMBL4328306)	Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay
50007167	30	ChEMBL_1828439 (CHEMBL4328313)	Inhibition of human Aurora A using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50007167	31	ChEMBL_1828522 (CHEMBL4328396)	Inhibition of human EPHA1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	32	ChEMBL_1828533 (CHEMBL4328407)	Inhibition of human EPHB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	33	ChEMBL_1828582 (CHEMBL4328456)	Inhibition of human IRR using MBP as substrate by [gamma-33P]-ATP assay
50007167	34	ChEMBL_1828762 (CHEMBL4328636)	Inhibition of human TNK1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	35	ChEMBL_1828769 (CHEMBL4328643)	Inhibition of human TTBK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	36	ChEMBL_1828736 (CHEMBL4328610)	Inhibition of human SRPK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50007167	37	ChEMBL_1828745 (CHEMBL4328619)	Inhibition of human STK33 using MBP as substrate by [gamma-33P]-ATP assay
50007167	38	ChEMBL_1828754 (CHEMBL4328628)	Inhibition of human TBK1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	39	ChEMBL_1828728 (CHEMBL4328602)	Inhibition of human SGK3 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	40	ChEMBL_1828783 (CHEMBL4328657)	Inhibition of human YSK4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	41	ChEMBL_1828733 (CHEMBL4328607)	Inhibition of human SNARK using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	42	ChEMBL_1828735 (CHEMBL4328609)	Inhibition of human SRMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	43	ChEMBL_1828737 (CHEMBL4328611)	Inhibition of human SRPK2 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50007167	44	ChEMBL_1828739 (CHEMBL4328613)	Inhibition of human STK16 using MBP as substrate by [gamma-33P]-ATP assay
50007167	45	ChEMBL_1828740 (CHEMBL4328614)	Inhibition of human STK21 using MBP as substrate by [gamma-33P]-ATP assay
50007167	46	ChEMBL_1828741 (CHEMBL4328615)	Inhibition of human STK22D using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	47	ChEMBL_1828744 (CHEMBL4328618)	Inhibition of human STK32C using MBP as substrate by [gamma-33P]-ATP assay
50007167	48	ChEMBL_1828746 (CHEMBL4328620)	Inhibition of human STK38 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50007167	49	ChEMBL_1828747 (CHEMBL4328621)	Inhibition of human STK38L using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50007167	50	ChEMBL_1828749 (CHEMBL4328623)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	51	ChEMBL_1828750 (CHEMBL4328624)	Inhibition of human TAK1 using casein as substrate by [gamma-33P]-ATP assay
50007167	52	ChEMBL_1828752 (CHEMBL4328626)	Inhibition of human TAOK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	53	ChEMBL_1828753 (CHEMBL4328627)	Inhibition of human TAOK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	54	ChEMBL_1828756 (CHEMBL4328630)	Inhibition of human TESK1 using cofilin as substrate by [gamma-33P]-ATP assay
50007167	55	ChEMBL_1828758 (CHEMBL4328632)	Inhibition of human TIE2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	56	ChEMBL_1828759 (CHEMBL4328633)	Inhibition of human TLK1 using Histone H3 as substrate by [gamma-33P]-ATP assay
50007167	57	ChEMBL_1828760 (CHEMBL4328634)	Inhibition of human TLK2 using casein as substrate by [gamma-33P]-ATP assay
50007167	58	ChEMBL_1828763 (CHEMBL4328637)	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	59	ChEMBL_1828764 (CHEMBL4328638)	Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	60	ChEMBL_1828766 (CHEMBL4328640)	Inhibition of human TSSK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	61	ChEMBL_1828768 (CHEMBL4328642)	Inhibition of human TTBK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	62	ChEMBL_1828770 (CHEMBL4328644)	Inhibition of human TXK using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	63	ChEMBL_1828427 (CHEMBL4328301)	Inhibition of human AKT2 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	64	ChEMBL_1828428 (CHEMBL4328302)	Inhibition of human AKT3 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	65	ChEMBL_1828434 (CHEMBL4328308)	Inhibition of human ALK5 using casein as substrate by [gamma-33P]-ATP assay
50007167	66	ChEMBL_1828435 (CHEMBL4328309)	Inhibition of human ALK6 using casein as substrate by [gamma-33P]-ATP assay
50007167	67	ChEMBL_1828772 (CHEMBL4328646)	Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	68	ChEMBL_1828773 (CHEMBL4328647)	Inhibition of human ULK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	69	ChEMBL_1828774 (CHEMBL4328648)	Inhibition of human ULK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	70	ChEMBL_1828776 (CHEMBL4328650)	Inhibition of human VRK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	71	ChEMBL_1828777 (CHEMBL4328651)	Inhibition of human VRK2 using casein as substrate by [gamma-33P]-ATP assay
50007167	72	ChEMBL_1828780 (CHEMBL4328654)	Inhibition of human WNK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	73	ChEMBL_1828781 (CHEMBL4328655)	Inhibition of human WNK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	74	ChEMBL_1828782 (CHEMBL4328656)	Inhibition of human YES using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	75	ChEMBL_1828786 (CHEMBL4328660)	Inhibition of human ZIPK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	76	ChEMBL_1828791 (CHEMBL4328665)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007167	77	ChEMBL_1828438 (CHEMBL4328312)	Inhibition of human ASK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	78	ChEMBL_1828440 (CHEMBL4328314)	Inhibition of human Aurora B using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50007167	79	ChEMBL_1828442 (CHEMBL4328316)	Inhibition of human AXL using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	80	ChEMBL_1828444 (CHEMBL4328318)	Inhibition of human BMPR2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	81	ChEMBL_1828446 (CHEMBL4328320)	Inhibition of human BRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay
50007167	82	ChEMBL_1828447 (CHEMBL4328321)	Inhibition of human BRK using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50007167	83	ChEMBL_1828449 (CHEMBL4328323)	Inhibition of human BRSK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	84	ChEMBL_1828450 (CHEMBL4328324)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay
50007167	85	ChEMBL_1828451 (CHEMBL4328325)	Inhibition of human c-KIT using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	86	ChEMBL_1828455 (CHEMBL4328329)	Inhibition of human CAMK1A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	87	ChEMBL_1828456 (CHEMBL4328330)	Inhibition of human CAMK1B using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	88	ChEMBL_1828458 (CHEMBL4328332)	Inhibition of human CAMK1G using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	89	ChEMBL_1828459 (CHEMBL4328333)	Inhibition of human CAMK2A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	90	ChEMBL_1828460 (CHEMBL4328334)	Inhibition of human CAMK2B using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	91	ChEMBL_1828463 (CHEMBL4328337)	Inhibition of human CAMK4 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	92	ChEMBL_1828464 (CHEMBL4328338)	Inhibition of human CAMKK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	93	ChEMBL_1828466 (CHEMBL4328340)	Inhibition of human CDC7/DBF4 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50007167	94	ChEMBL_1828468 (CHEMBL4328342)	Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay
50007167	95	ChEMBL_1828469 (CHEMBL4328343)	Inhibition of human CDK1/cyclinE using RB protein as substrate by [gamma-33P]-ATP assay
50007167	96	ChEMBL_1828472 (CHEMBL4328346)	Inhibition of human CDK17/cyclin-Y using MBP protein as substrate by [gamma-33P]-ATP assay
50007167	97	ChEMBL_1828473 (CHEMBL4328347)	Inhibition of human CDK18/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50007167	98	ChEMBL_1828474 (CHEMBL4328348)	Inhibition of human CDK2/cyclin-A using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	99	ChEMBL_1828476 (CHEMBL4328350)	Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	100	ChEMBL_1828479 (CHEMBL4328353)	Inhibition of human CDK4/cyclin-D3 using RB-CTF as substrate by [gamma-33P]-ATP assay
50007167	101	ChEMBL_1828482 (CHEMBL4328356)	Inhibition of human CDK6/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay
50007167	102	ChEMBL_1828483 (CHEMBL4328357)	Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay
50007167	103	ChEMBL_1828485 (CHEMBL4328359)	Inhibition of human CDK9/cyclin-K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50007167	104	ChEMBL_1828486 (CHEMBL4328360)	Inhibition of human CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50007167	105	ChEMBL_1828487 (CHEMBL4328361)	Inhibition of human CDK9/cyclin-T2 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50007167	106	ChEMBL_1828491 (CHEMBL4328365)	Inhibition of human CK1a1L using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	107	ChEMBL_1828492 (CHEMBL4328366)	Inhibition of human CK1D using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	108	ChEMBL_1828493 (CHEMBL4328367)	Inhibition of human CK1E using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	109	ChEMBL_1828495 (CHEMBL4328369)	Inhibition of human CK1gamma2 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	110	ChEMBL_1828497 (CHEMBL4328371)	Inhibition of human CK2A using RRRDDDSDDD as substrate by [gamma-33P]-ATP assay
50007167	111	ChEMBL_1828499 (CHEMBL4328373)	Inhibition of human CLK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	112	ChEMBL_1828500 (CHEMBL4328374)	Inhibition of human CLK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	113	ChEMBL_1828501 (CHEMBL4328375)	Inhibition of human CLK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	114	ChEMBL_1828505 (CHEMBL4328379)	Inhibition of human CTK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	115	ChEMBL_1828506 (CHEMBL4328380)	Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	116	ChEMBL_1828507 (CHEMBL4328381)	Inhibition of human DAPK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	117	ChEMBL_1828509 (CHEMBL4328383)	Inhibition of human DCAMKL2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	118	ChEMBL_1828510 (CHEMBL4328384)	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007167	119	ChEMBL_1828513 (CHEMBL4328387)	Inhibition of human DMPK using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50007167	120	ChEMBL_1828514 (CHEMBL4328388)	Inhibition of human DMPK2 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50007167	121	ChEMBL_1828517 (CHEMBL4328391)	Inhibition of human DYRK1B using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50007167	122	ChEMBL_1828519 (CHEMBL4328393)	Inhibition of human DYRK3 using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50007167	123	ChEMBL_1828520 (CHEMBL4328394)	Inhibition of human DYRK4 using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50007167	124	ChEMBL_1828523 (CHEMBL4328397)	Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	125	ChEMBL_1828525 (CHEMBL4328399)	Inhibition of human EPHA4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	126	ChEMBL_1828526 (CHEMBL4328400)	Inhibition of human EPHA5 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	127	ChEMBL_1828527 (CHEMBL4328401)	Inhibition of human EPHA6 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	128	ChEMBL_1828531 (CHEMBL4328405)	Inhibition of human EPHB2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	129	ChEMBL_1828532 (CHEMBL4328406)	Inhibition of human EPHB3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	130	ChEMBL_1828535 (CHEMBL4328409)	Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	131	ChEMBL_1828537 (CHEMBL4328411)	Inhibition of human ERK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	132	ChEMBL_1828538 (CHEMBL4328412)	Inhibition of human ERK5 using MBP as substrate by [gamma-33P]-ATP assay
50007167	133	ChEMBL_1828540 (CHEMBL4328414)	Inhibition of human ERN1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	134	ChEMBL_1828541 (CHEMBL4328415)	Inhibition of human ERN2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	135	ChEMBL_1828542 (CHEMBL4328416)	Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	136	ChEMBL_1828547 (CHEMBL4328421)	Inhibition of human FGFR3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	137	ChEMBL_1828548 (CHEMBL4328422)	Inhibition of human FGFR4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	138	ChEMBL_1828550 (CHEMBL4328424)	Inhibition of human FLT1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	139	ChEMBL_1828552 (CHEMBL4328426)	Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	140	ChEMBL_1828553 (CHEMBL4328427)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	141	ChEMBL_1828556 (CHEMBL4328430)	Inhibition of human GCK using MBP as substrate by [gamma-33P]-ATP assay
50007167	142	ChEMBL_1828557 (CHEMBL4328431)	Inhibition of human GLK using MBP as substrate by [gamma-33P]-ATP assay
50007167	143	ChEMBL_1828560 (CHEMBL4328434)	Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay
50007167	144	ChEMBL_1828562 (CHEMBL4328436)	Inhibition of human GRK5 using casein as substrate by [gamma-33P]-ATP assay
50007167	145	ChEMBL_1828563 (CHEMBL4328437)	Inhibition of human GRK6 using casein as substrate by [gamma-33P]-ATP assay
50007167	146	ChEMBL_1828584 (CHEMBL4328458)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	147	ChEMBL_1828586 (CHEMBL4328460)	Inhibition of human JAK3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	148	ChEMBL_1828587 (CHEMBL4328461)	Inhibition of human JNK1 using ATF2 as substrate by [gamma-33P]-ATP assay
50007167	149	ChEMBL_1828589 (CHEMBL4328463)	Inhibition of human JNK3 using ATF2 as substrate by [gamma-33P]-ATP assay
50007167	150	ChEMBL_1828592 (CHEMBL4328466)	Inhibition of human KSR1 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay
50007167	151	ChEMBL_1828593 (CHEMBL4328467)	Inhibition of human KSR2 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay
50007167	152	ChEMBL_1828595 (CHEMBL4328469)	Inhibition of human LATS2 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50007167	153	ChEMBL_1828597 (CHEMBL4328471)	Inhibition of human LCK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	154	ChEMBL_1828598 (CHEMBL4328472)	Inhibition of human LIMK1 using cofilin as substrate by [gamma-33P]-ATP assay
50007167	155	ChEMBL_1828600 (CHEMBL4328474)	Inhibition of human LKB1 using LSNLYHQGKFLQTFCGSPLYRRR as substrate by [gamma-33P]-ATP assay
50007167	156	ChEMBL_1828567 (CHEMBL4328441)	Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay
50007167	157	ChEMBL_1828568 (CHEMBL4328442)	Inhibition of human HCK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay
50007167	158	ChEMBL_1828569 (CHEMBL4328443)	Inhibition of human HGK using MBP as substrate by [gamma-33P]-ATP assay
50007167	159	ChEMBL_1828571 (CHEMBL4328445)	Inhibition of human HIPK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	160	ChEMBL_1828574 (CHEMBL4328448)	Inhibition of human HPK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	161	ChEMBL_1828577 (CHEMBL4328451)	Inhibition of human IKKbeta using KKKKERLLDDRHDSGLDSMKDEE as substrate by [gamma-33P]-ATP assay
50007167	162	ChEMBL_1828579 (CHEMBL4328453)	Inhibition of human IR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	163	ChEMBL_1828581 (CHEMBL4328455)	Inhibition of human IRAK4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	164	ChEMBL_1828583 (CHEMBL4328457)	Inhibition of human ITK using MBP as substrate by [gamma-33P]-ATP assay
50007167	165	ChEMBL_1828601 (CHEMBL4328475)	Inhibition of human LOK using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50007167	166	ChEMBL_1828602 (CHEMBL4328476)	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50007167	167	ChEMBL_1828606 (CHEMBL4328480)	Inhibition of human MAPKAPK2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	168	ChEMBL_1828609 (CHEMBL4328483)	Inhibition of human MARK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	169	ChEMBL_1828610 (CHEMBL4328484)	Inhibition of human MARK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	170	ChEMBL_1828611 (CHEMBL4328485)	Inhibition of human MARK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	171	ChEMBL_1828613 (CHEMBL4328487)	Inhibition of human MEK1 using ERK2 as substrate by [gamma-33P]-ATP assay
50007167	172	ChEMBL_1828615 (CHEMBL4328489)	Inhibition of human MEK3 using p38alpha as substrate by [gamma-33P]-ATP assay
50007167	173	ChEMBL_1828617 (CHEMBL4328491)	Inhibition of human MEKK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	174	ChEMBL_1828619 (CHEMBL4328493)	Inhibition of human MEKK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	175	ChEMBL_1828620 (CHEMBL4328494)	Inhibition of human MEKK6 using MBP as substrate by [gamma-33P]-ATP assay
50007167	176	ChEMBL_1828622 (CHEMBL4328496)	Inhibition of human MINK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	177	ChEMBL_1828624 (CHEMBL4328498)	Inhibition of human MKK6 using p38alpha as substrate by [gamma-33P]-ATP assay
50007167	178	ChEMBL_1828625 (CHEMBL4328499)	Inhibition of human MKK7 using JNK as substrate by [gamma-33P]-ATP assay
50007167	179	ChEMBL_1828627 (CHEMBL4328501)	Inhibition of human MLCK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	180	ChEMBL_1828629 (CHEMBL4328503)	Inhibition of human MLK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	181	ChEMBL_1828630 (CHEMBL4328504)	Inhibition of human MLK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	182	ChEMBL_1828633 (CHEMBL4328507)	Inhibition of human MNK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	183	ChEMBL_1828634 (CHEMBL4328508)	Inhibition of human MRCKalpha using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	184	ChEMBL_1828636 (CHEMBL4328510)	Inhibition of human MSK1 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	185	ChEMBL_1828637 (CHEMBL4328511)	Inhibition of human MSK2 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	186	ChEMBL_1828638 (CHEMBL4328512)	Inhibition of human MSSK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50007167	187	ChEMBL_1828642 (CHEMBL4328516)	Inhibition of human MST4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	188	ChEMBL_1828643 (CHEMBL4328517)	Inhibition of human MUSK using MBP as substrate by [gamma-33P]-ATP assay
50007167	189	ChEMBL_1828644 (CHEMBL4328518)	Inhibition of human MYLK3 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50007167	190	ChEMBL_1828646 (CHEMBL4328520)	Inhibition of human MYO3A using MBP as substrate by [gamma-33P]-ATP assay
50007167	191	ChEMBL_1828647 (CHEMBL4328521)	Inhibition of human MYO3B using MBP as substrate by [gamma-33P]-ATP assay
50007167	192	ChEMBL_1828648 (CHEMBL4328522)	Inhibition of human NEK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	193	ChEMBL_1828651 (CHEMBL4328525)	Inhibition of human NEK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	194	ChEMBL_1828652 (CHEMBL4328526)	Inhibition of human NEK4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	195	ChEMBL_1828656 (CHEMBL4328530)	Inhibition of human NEK8 using casein as substrate by [gamma-33P]-ATP assay
50007167	196	ChEMBL_1828657 (CHEMBL4328531)	Inhibition of human NEK9 using casein as substrate by [gamma-33P]-ATP assay
50007167	197	ChEMBL_1828659 (CHEMBL4328533)	Inhibition of human NLK using MBP as substrate by [gamma-33P]-ATP assay
50007167	198	ChEMBL_1828662 (CHEMBL4328536)	Inhibition of human p38beta using MBP as substrate by [gamma-33P]-ATP assay
50007167	199	ChEMBL_1828663 (CHEMBL4328537)	Inhibition of human p38delta using MBP as substrate by [gamma-33P]-ATP assay
50007167	200	ChEMBL_1828664 (CHEMBL4328538)	Inhibition of human p38gamma using MBP as substrate by [gamma-33P]-ATP assay
50007167	201	ChEMBL_1828668 (CHEMBL4328542)	Inhibition of human PAK2 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	202	ChEMBL_1828670 (CHEMBL4328544)	Inhibition of human PAK4 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	203	ChEMBL_1828672 (CHEMBL4328546)	Inhibition of human PAK6 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	204	ChEMBL_1828674 (CHEMBL4328548)	Inhibition of human PBK using MBP as substrate by [gamma-33P]-ATP assay
50007167	205	ChEMBL_1828675 (CHEMBL4328549)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	206	ChEMBL_1828677 (CHEMBL4328551)	Inhibition of human PDK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	207	ChEMBL_1828679 (CHEMBL4328553)	Inhibition of human PHKgamma1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	208	ChEMBL_1828681 (CHEMBL4328555)	Inhibition of human PIM1 using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50007167	209	ChEMBL_1828684 (CHEMBL4328558)	Inhibition of human PKA using LCGRTGRRNSI as substrate by [gamma-33P]-ATP assay
50007167	210	ChEMBL_1828685 (CHEMBL4328559)	Inhibition of human PKAcb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	211	ChEMBL_1828687 (CHEMBL4328561)	Inhibition of human PKCalpha using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	212	ChEMBL_1828690 (CHEMBL4328564)	Inhibition of human PKCdelta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	213	ChEMBL_1828691 (CHEMBL4328565)	Inhibition of human PKCepsilon using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	214	ChEMBL_1828693 (CHEMBL4328567)	Inhibition of human PKCgamma using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	215	ChEMBL_1828694 (CHEMBL4328568)	Inhibition of human PKCiota using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	216	ChEMBL_1828696 (CHEMBL4328570)	Inhibition of human PKCnu using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	217	ChEMBL_1828700 (CHEMBL4328574)	Inhibition of human PKG1alpha using LRRASLG as substrate by [gamma-33P]-ATP assay
50007167	218	ChEMBL_1828704 (CHEMBL4328578)	Inhibition of human PKN2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	219	ChEMBL_1828705 (CHEMBL4328579)	Inhibition of human PKN3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	220	ChEMBL_1828706 (CHEMBL4328580)	Inhibition of human PLK1 using casein as substrate by [gamma-33P]-ATP assay
50007167	221	ChEMBL_1828708 (CHEMBL4328582)	Inhibition of human PLK3 using casein as substrate by [gamma-33P]-ATP assay
50007167	222	ChEMBL_1828711 (CHEMBL4328585)	Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	223	ChEMBL_1828713 (CHEMBL4328587)	Inhibition of human RET using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	224	ChEMBL_1828715 (CHEMBL4328589)	Inhibition of human RIPK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	225	ChEMBL_1828716 (CHEMBL4328590)	Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay
50007167	226	ChEMBL_1828719 (CHEMBL4328593)	Inhibition of human RON using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007167	227	ChEMBL_1828720 (CHEMBL4328594)	Inhibition of human ROS using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50007167	228	ChEMBL_1828722 (CHEMBL4328596)	Inhibition of human RSK2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	229	ChEMBL_1828724 (CHEMBL4328598)	Inhibition of human RSK4 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	230	ChEMBL_1828726 (CHEMBL4328600)	Inhibition of human SGK1 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	231	ChEMBL_1828727 (CHEMBL4328601)	Inhibition of human SGK2 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	232	ChEMBL_1828731 (CHEMBL4328605)	Inhibition of human SIK3 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50007167	233	ChEMBL_1828732 (CHEMBL4328606)	Inhibition of human SLK using Histone H3 as substrate by [gamma-33P]-ATP assay
50007167	234	ChEMBL_1828660 (CHEMBL4328534)	Inhibition of human OSR1 using RRHYYYDTHTNTYYLRTFGHNTRR as substrate by [gamma-33P]-ATP assay
50007167	235	ChEMBL_1828665 (CHEMBL4328539)	Inhibition of human p70S6K using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50007167	236	ChEMBL_1828515 (CHEMBL4328389)	Inhibition of human DRAK1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	237	ChEMBL_1828528 (CHEMBL4328402)	Inhibition of human EPHA7 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	238	ChEMBL_1828543 (CHEMBL4328417)	Inhibition of human FER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	239	ChEMBL_1828551 (CHEMBL4328425)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	240	ChEMBL_1828558 (CHEMBL4328432)	Inhibition of human GRK1 using casein as substrate by [gamma-33P]-ATP assay
50007167	241	ChEMBL_1828572 (CHEMBL4328446)	Inhibition of human HIPK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	242	ChEMBL_1828578 (CHEMBL4328452)	Inhibition of human IKKepsilon using casein as substrate by [gamma-33P]-ATP assay
50007167	243	ChEMBL_1828785 (CHEMBL4328659)	Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	244	ChEMBL_1828673 (CHEMBL4328547)	Inhibition of human PASK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	245	ChEMBL_1828688 (CHEMBL4328562)	Inhibition of human PKCb1 using Histone H1 as substrate by [gamma-33P]-ATP assay
50007167	246	ChEMBL_1828695 (CHEMBL4328569)	Inhibition of human PKCmu using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	247	ChEMBL_1828702 (CHEMBL4328576)	Inhibition of human PKG2 using LRRASLG as substrate by [gamma-33P]-ATP assay
50007167	248	ChEMBL_1828721 (CHEMBL4328595)	Inhibition of human RSK1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	249	ChEMBL_1828729 (CHEMBL4328603)	Inhibition of human SIK1 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50007167	250	ChEMBL_1828423 (CHEMBL4328297)	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	251	ChEMBL_1828441 (CHEMBL4328315)	Inhibition of human Aurora C using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50007167	252	ChEMBL_1828730 (CHEMBL4328604)	Inhibition of human SIK2 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50007167	253	ChEMBL_1828431 (CHEMBL4328305)	Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay
50007167	254	ChEMBL_1828478 (CHEMBL4328352)	Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay
50007167	255	ChEMBL_1828575 (CHEMBL4328449)	Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50007167	256	ChEMBL_1828607 (CHEMBL4328481)	Inhibition of human MAPKAPK3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	257	ChEMBL_1828701 (CHEMBL4328575)	Inhibition of human PKG1beta using LRRASLG as substrate by [gamma-33P]-ATP assay
50007167	258	ChEMBL_1828653 (CHEMBL4328527)	Inhibition of human NEK5 using MBP as substrate by [gamma-33P]-ATP assay
50007167	259	ChEMBL_1828430 (CHEMBL4328304)	Inhibition of human ALK1 using casein as substrate by [gamma-33P]-ATP assay
50007167	260	ChEMBL_1828433 (CHEMBL4328307)	Inhibition of human ALK4 using casein as substrate by [gamma-33P]-ATP assay
50007167	261	ChEMBL_1828436 (CHEMBL4328310)	Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay
50007167	262	ChEMBL_1828767 (CHEMBL4328641)	Inhibition of human TSSK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	263	ChEMBL_1828779 (CHEMBL4328653)	Inhibition of human WNK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	264	ChEMBL_1828742 (CHEMBL4328616)	Inhibition of human STK25 using MBP as substrate by [gamma-33P]-ATP assay
50007167	265	ChEMBL_1828755 (CHEMBL4328629)	Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	266	ChEMBL_1828591 (CHEMBL4328465)	Inhibition of human KHS using MBP as substrate by [gamma-33P]-ATP assay
50007167	267	ChEMBL_1828603 (CHEMBL4328477)	Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	268	ChEMBL_1828616 (CHEMBL4328490)	Inhibition of human MEK5 using ERK5 as substrate by [gamma-33P]-ATP assay
50007167	269	ChEMBL_1828628 (CHEMBL4328502)	Inhibition of human MLK1 using casein as substrate by [gamma-33P]-ATP assay
50007167	270	ChEMBL_1828640 (CHEMBL4328514)	Inhibition of human MST2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	271	ChEMBL_1828669 (CHEMBL4328543)	Inhibition of human PAK3 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	272	ChEMBL_1828683 (CHEMBL4328557)	Inhibition of human PIM3 using RSRHSSYPAGT as substrate by [gamma-33P]-ATP assay
50007167	273	ChEMBL_1828697 (CHEMBL4328571)	Inhibition of human PKCtheta using Histone H1 as substrate by [gamma-33P]-ATP assay
50007167	274	ChEMBL_1828712 (CHEMBL4328586)	Inhibition of human RAF1 using MEK1 as substrate by [gamma-33P]-ATP assay
50007167	275	ChEMBL_1828725 (CHEMBL4328599)	Inhibition of human SBK1 using LCGRTGRRNSI as substrate by [gamma-33P]-ATP assay
50007167	276	ChEMBL_1828452 (CHEMBL4328326)	Inhibition of human c-MER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	277	ChEMBL_1828465 (CHEMBL4328339)	Inhibition of human CAMKK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	278	ChEMBL_1828477 (CHEMBL4328351)	Inhibition of human CDK3/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	279	ChEMBL_1828502 (CHEMBL4328376)	Inhibition of human CLK4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	280	ChEMBL_1828516 (CHEMBL4328390)	Inhibition of human DYRK1A using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50007167	281	ChEMBL_1828530 (CHEMBL4328404)	Inhibition of human EPHB1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	282	ChEMBL_1828559 (CHEMBL4328433)	Inhibition of human GRK2 using casein as substrate by [gamma-33P]-ATP assay
50007167	283	ChEMBL_1828573 (CHEMBL4328447)	Inhibition of human HIPK4 using MBP as substrate by [gamma-33P]-ATP assay
50007167	284	ChEMBL_1828734 (CHEMBL4328608)	Inhibition of human SNRK using MBP as substrate by [gamma-33P]-ATP assay
50007167	285	ChEMBL_1828738 (CHEMBL4328612)	Inhibition of human SSTK using MBP as substrate by [gamma-33P]-ATP assay
50007167	286	ChEMBL_1828743 (CHEMBL4328617)	Inhibition of human STK32B using MBP as substrate by [gamma-33P]-ATP assay
50007167	287	ChEMBL_1828748 (CHEMBL4328622)	Inhibition of human STK39 using MBP as substrate by [gamma-33P]-ATP assay
50007167	288	ChEMBL_1828751 (CHEMBL4328625)	Inhibition of human TAOK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	289	ChEMBL_1828757 (CHEMBL4328631)	Inhibition of human TGFBR2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	290	ChEMBL_1828761 (CHEMBL4328635)	Inhibition of human TNIK using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50007167	291	ChEMBL_1828765 (CHEMBL4328639)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	292	ChEMBL_1828771 (CHEMBL4328645)	Inhibition of human TYK1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007167	293	ChEMBL_1828775 (CHEMBL4328649)	Inhibition of human ULK3 using MBP as substrate by [gamma-33P]-ATP assay
50007167	294	ChEMBL_1828778 (CHEMBL4328652)	Inhibition of human WEE1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	295	ChEMBL_1828784 (CHEMBL4328658)	Inhibition of human ZAK using MBP as substrate by [gamma-33P]-ATP assay
50007167	296	ChEMBL_1828788 (CHEMBL4328662)	Inhibition of human CDK2/cyclin-A1 using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	297	ChEMBL_1828443 (CHEMBL4328317)	Inhibition of human BLK using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50007167	298	ChEMBL_1828448 (CHEMBL4328322)	Inhibition of human BRSK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	299	ChEMBL_1828454 (CHEMBL4328328)	Inhibition of human c-SRC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	300	ChEMBL_1828457 (CHEMBL4328331)	Inhibition of human CAMK1D using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50007167	301	ChEMBL_1828461 (CHEMBL4328335)	Inhibition of human CAMK2D using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	302	ChEMBL_1828470 (CHEMBL4328344)	Inhibition of human CDK14/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50007167	303	ChEMBL_1828475 (CHEMBL4328349)	Inhibition of human CDK2/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	304	ChEMBL_1828481 (CHEMBL4328355)	Inhibition of human CDK5/p35 using histone H1 as substrate by [gamma-33P]-ATP assay
50007167	305	ChEMBL_1828484 (CHEMBL4328358)	Inhibition of human CDK7/cyclin-H/MNAT1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	306	ChEMBL_1828488 (CHEMBL4328362)	Inhibition of human CHK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	307	ChEMBL_1828494 (CHEMBL4328368)	Inhibition of human CK1gamma1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	308	ChEMBL_1828498 (CHEMBL4328372)	Inhibition of human CK2A2 using RRRDDDSDDD as substrate by [gamma-33P]-ATP assay
50007167	309	ChEMBL_1828504 (CHEMBL4328378)	Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	310	ChEMBL_1828508 (CHEMBL4328382)	Inhibition of human DCAMKL1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	311	ChEMBL_1828511 (CHEMBL4328385)	Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007167	312	ChEMBL_1828518 (CHEMBL4328392)	Inhibition of human DYRK2 using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50007167	313	ChEMBL_1828524 (CHEMBL4328398)	Inhibition of human EPHA3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	314	ChEMBL_1828529 (CHEMBL4328403)	Inhibition of human EPHA8 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	315	ChEMBL_1828534 (CHEMBL4328408)	Inhibition of human ERBB2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	316	ChEMBL_1828539 (CHEMBL4328413)	Inhibition of human ERK7 using MBP as substrate by [gamma-33P]-ATP assay
50007167	317	ChEMBL_1828546 (CHEMBL4328420)	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	318	ChEMBL_1828549 (CHEMBL4328423)	Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	319	ChEMBL_1828555 (CHEMBL4328429)	Inhibition of human FYN using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	320	ChEMBL_1828561 (CHEMBL4328435)	Inhibition of human GRK4 using casein as substrate by [gamma-33P]-ATP assay
50007167	321	ChEMBL_1828565 (CHEMBL4328439)	Inhibition of human GSK3A using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by [gamma-33P]-ATP assay
50007167	322	ChEMBL_1828570 (CHEMBL4328444)	Inhibition of human HIPK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	323	ChEMBL_1828576 (CHEMBL4328450)	Inhibition of human IKKalpha using KKKKERLLDDRHDSGLDSMKDEE as substrate by [gamma-33P]-ATP assay
50007167	324	ChEMBL_1828580 (CHEMBL4328454)	Inhibition of human IRAK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	325	ChEMBL_1828426 (CHEMBL4328300)	Inhibition of human AKT1 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50007167	326	ChEMBL_1828429 (CHEMBL4328303)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	327	ChEMBL_1828437 (CHEMBL4328311)	Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	328	ChEMBL_1828585 (CHEMBL4328459)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	329	ChEMBL_1828590 (CHEMBL4328464)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	330	ChEMBL_1828594 (CHEMBL4328468)	Inhibition of human LATS1 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50007167	331	ChEMBL_1828599 (CHEMBL4328473)	Inhibition of human LIMK2 using cofilin as substrate by [gamma-33P]-ATP assay
50007167	332	ChEMBL_1828604 (CHEMBL4328478)	Inhibition of human LYN-B using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	333	ChEMBL_1828608 (CHEMBL4328482)	Inhibition of human MAPKAPK5 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	334	ChEMBL_1828612 (CHEMBL4328486)	Inhibition of human MARK4 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007167	335	ChEMBL_1828618 (CHEMBL4328492)	Inhibition of human MEKK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	336	ChEMBL_1828621 (CHEMBL4328495)	Inhibition of human MELK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	337	ChEMBL_1828626 (CHEMBL4328500)	Inhibition of human MLCK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	338	ChEMBL_1828631 (CHEMBL4328505)	Inhibition of human MLK4 using MEK1 as substrate by [gamma-33P]-ATP assay
50007167	339	ChEMBL_1828635 (CHEMBL4328509)	Inhibition of human MRCKbeta using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	340	ChEMBL_1828639 (CHEMBL4328513)	Inhibition of human MST1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007167	341	ChEMBL_1828645 (CHEMBL4328519)	Inhibition of human MYLK4 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50007167	342	ChEMBL_1828649 (CHEMBL4328523)	Inhibition of human NEK11 using MBP as substrate by [gamma-33P]-ATP assay
50007167	343	ChEMBL_1828655 (CHEMBL4328529)	Inhibition of human NEK7 using casein as substrate by [gamma-33P]-ATP assay
50007167	344	ChEMBL_1828661 (CHEMBL4328535)	Inhibition of human p38alpha using MBP as substrate by [gamma-33P]-ATP assay
50007167	345	ChEMBL_1828666 (CHEMBL4328540)	Inhibition of human p70S6Kb using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50007167	346	ChEMBL_1828671 (CHEMBL4328545)	Inhibition of human PAK5 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50007167	347	ChEMBL_1828676 (CHEMBL4328550)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	348	ChEMBL_1828682 (CHEMBL4328556)	Inhibition of human PIM2 using RSRHSSYPAGT as substrate by [gamma-33P]-ATP assay
50007167	349	ChEMBL_1828686 (CHEMBL4328560)	Inhibition of human PKAcg using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	350	ChEMBL_1828692 (CHEMBL4328566)	Inhibition of human PKCeta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	351	ChEMBL_1828698 (CHEMBL4328572)	Inhibition of human PKCzeta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50007167	352	ChEMBL_1828703 (CHEMBL4328577)	Inhibition of human PKN1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	353	ChEMBL_1828707 (CHEMBL4328581)	Inhibition of human PLK2 using casein as substrate by [gamma-33P]-ATP assay
50007167	354	ChEMBL_1828714 (CHEMBL4328588)	Inhibition of human RIPK2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	355	ChEMBL_1828717 (CHEMBL4328591)	Inhibition of human ROCK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50007167	356	ChEMBL_1828723 (CHEMBL4328597)	Inhibition of human RSK3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50007167	357	ChEMBL_1828521 (CHEMBL4328395)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007167	358	ChEMBL_1828490 (CHEMBL4328364)	Inhibition of human CK1a1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50007167	359	ChEMBL_1828545 (CHEMBL4328419)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50007167	360	ChEMBL_1828654 (CHEMBL4328528)	Inhibition of human NEK6 using casein as substrate by [gamma-33P]-ATP assay
50007167	361	ChEMBL_1828680 (CHEMBL4328554)	Inhibition of human PHKgamma2 using MBP as substrate by [gamma-33P]-ATP assay
50007167	362	ChEMBL_1828710 (CHEMBL4328584)	Inhibition of human PRKX using LRRASLG as substrate by [gamma-33P]-ATP assay
50007167	363	ChEMBL_1828536 (CHEMBL4328410)	Inhibition of human ERK1 using MBP as substrate by [gamma-33P]-ATP assay
50007167	364	ChEMBL_1828566 (CHEMBL4328440)	Inhibition of human GSK3B using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by [gamma-33P]-ATP assay
50007167	365	ChEMBL_1828424 (CHEMBL4328298)	Inhibition of human ABL2 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50007168	1	ChEMBL_1828802 (CHEMBL4328676)	Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA
50007168	2	ChEMBL_1828800 (CHEMBL4328674)	Inhibition of C-terminal 4His-tagged CYP2D6 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis
50007168	3	ChEMBL_1828801 (CHEMBL4328675)	Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis
50007168	4	ChEMBL_1828792 (CHEMBL4328666)	Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF assay
50007168	5	ChEMBL_1828793 (CHEMBL4328667)	Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate and 33P-ATP after 60 mins by HTRF assay
50007168	6	ChEMBL_1828799 (CHEMBL4328673)	Inhibition of C-terminal 4His-tagged CYP2C9 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis
50007168	7	ChEMBL_1828835 (CHEMBL4328709)	Inhibition of ROCK1 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay
50007168	8	ChEMBL_1828836 (CHEMBL4328710)	Inhibition of ROCK2 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay
50007168	9	ChEMBL_1828837 (CHEMBL4328711)	Inhibition of PKG1A (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay
50007169	1	ChEMBL_1828839 (CHEMBL4328713)	Inhibition of human CK1 epsilon using casein as substrate after 2 hrs in presence of [33P]-ATP by scintillation counting analysis
50007170	1	ChEMBL_1828849 (CHEMBL4328723)	Displacement of [3H]Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cell membranes after 30 mins by liquid scintillation analysis
50007170	2	ChEMBL_1828850 (CHEMBL4328724)	Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cell membranes after 30 mins by liquid scintillation analysis
50007173	1	ChEMBL_1828851 (CHEMBL4328725)	Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fluorescence polarization binding assay
50007173	2	ChEMBL_1828853 (CHEMBL4328727)	Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluorescence polarization immuno assay
50007174	1	ChEMBL_1828893 (CHEMBL4328767)	Inhibition of bovine brain tubulin polymerization after 20 mins in presence of GTP by spectrophotometric analysis
50007175	1	ChEMBL_1828948 (CHEMBL4328822)	Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins followed by Hoechst 33342 addition by fluorescence assay
50007175	2	ChEMBL_1828953 (CHEMBL4328827)	Inhibition of ABCB1 in human A2780/ADR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured over 60 mins at 60 secs time interval by fluorescence assay
50007175	3	ChEMBL_1828954 (CHEMBL4328828)	Inhibition of ABCC1 in human H69AR cells assessed as calcein-AM accumulation preincubated for 30 mins followed by calcein-AM addition measured over 60 mins at 60 secs time interval by fluorescence assay
50007175	4	ChEMBL_1828960 (CHEMBL4328834)	Inhibition of GFP-fused human ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 72 hrs by MTT assay
50007176	1	ChEMBL_1828968 (CHEMBL4328842)	Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with cells for 1 hr prior to viral infection for 1 hr followed by compound washout and subsequent compound addition measured after 48 hrs by hemagglutination test
50007177	1	ChEMBL_1828971 (CHEMBL4328845)	Binding affinity to HIV1 N-terminal 2,2-bipyridine-5-carboxylate-capped Envelope glycoprotein gp41 Fe2(env2.0)3 by C18FL probe based fluorescence quenching assay
50007177	2	ChEMBL_1828972 (CHEMBL4328846)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral protein expressing human HL2/3 cells and TZM-bl target cells preincubated overnight with TZM-bl cells followed by co-incubation with HL2/3 cells for 6 hrs by luciferase reporter gene assay
50007178	1	ChEMBL_1828982 (CHEMBL4328856)	Inhibition of human caspase-like activity of 20S constitutive proteasome preincubated for 15 mins followed by substrate addition by fluorescence assay
50007178	2	ChEMBL_1828980 (CHEMBL4328854)	Inhibition of human chymotrypsin-like activity of 20S constitutive proteasome using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50007178	3	ChEMBL_1828983 (CHEMBL4328857)	Inhibition of human trypsin-like activity of 20S constitutive proteasome using Z-VLR-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50007178	4	ChEMBL_1828984 (CHEMBL4328858)	Inhibition of 20S immunoproteasome LMP7 (unknown origin) using Ac-ANW-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50007180	1	ChEMBL_1828994 (CHEMBL4328868)	Inhibition of Clostridium difficile toxin A transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before TcdA addition by luminescence based assay
50007180	2	ChEMBL_1828993 (CHEMBL4328867)	Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before TcdB addition by luminescence based assay
50007180	3	ChEMBL_1828995 (CHEMBL4328869)	Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydrolysis activity using UDP-glucose substrate and ADP Alexa633 tracer incubated for 3 hrs by fluorescence polarization assay
50007182	1	ChEMBL_1829028 (CHEMBL4328902)	Inhibition of ovine COX-2 using arachidonic acid as substrate by EIA
50007182	2	ChEMBL_1829018 (CHEMBL4328892)	Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ELISA
50007182	3	ChEMBL_1829021 (CHEMBL4328895)	Inhibition of human COX-2 transfected in CHO cells using arachidonic acid as substrate
50007182	4	ChEMBL_1829017 (CHEMBL4328891)	Inhibition of COX-2 (unknown origin)
50007182	5	ChEMBL_1829019 (CHEMBL4328893)	Inhibition of human COX-2
50007182	6	ChEMBL_1829023 (CHEMBL4328897)	Inhibition of COX-2 in human whole blood
50007182	7	ChEMBL_1829024 (CHEMBL4328898)	Inhibition of COX-2 (unknown origin) expressed in CHO cells
50007182	8	ChEMBL_1829029 (CHEMBL4328903)	Inhibition of ovine COX-2
50007182	9	ChEMBL_1829031 (CHEMBL4328905)	Inhibition of COX-1 in LPS-induced mouse peritoneal macrophages
50007182	10	ChEMBL_1829033 (CHEMBL4328907)	Inhibition of COX-2 in LPS-stimulated human whole blood after 24 hrs by ELISA
50007182	11	ChEMBL_1829026 (CHEMBL4328900)	Inhibition of COX-2 in human 143982 cells using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by EIA
50007182	12	ChEMBL_1829034 (CHEMBL4328908)	Inhibition of human COX-2 expressed in human COS cells using arachidonic acid as substrate
50007182	13	ChEMBL_1829022 (CHEMBL4328896)	Inhibition of recombinant human COX-2 expressed in CHO-K1 cells using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by EIA
50007182	14	ChEMBL_1829027 (CHEMBL4328901)	Inhibition of COX-2 in human 143982 cells
50007182	15	ChEMBL_1829030 (CHEMBL4328904)	Inhibition of ovine COX-2 using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition and measured after 2 mins by EIA
50007183	1	ChEMBL_1829131 (CHEMBL4329005)	Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 1 min for 7 mins by fluorimetric method
50007183	2	ChEMBL_1829132 (CHEMBL4329006)	Binding affinity to recombinant human Tdp1 (149 to 608 residues) expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay
50007183	3	ChEMBL_1829129 (CHEMBL4329003)	Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21
50007183	4	ChEMBL_1829127 (CHEMBL4329001)	Inhibition of Tdp1 (unknown origin)
50007183	5	ChEMBL_1829130 (CHEMBL4329004)	Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fluorimetric method
50007183	6	ChEMBL_1829128 (CHEMBL4329002)	Inhibition of recombinant human Tdp1 using 5'-biotin-GATCTAAAAGACTT-pY-3' as substrate measured after 20 mins by AlphaScreen assay
50007184	1	ChEMBL_1829181 (CHEMBL4329055)	Inhibition of human MAOA
50007184	2	ChEMBL_1829186 (CHEMBL4329060)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence-based Amplex Red MAO assay
50007184	3	ChEMBL_1829192 (CHEMBL4329066)	Irreversible inhibition of human MAOB
50007184	4	ChEMBL_1829185 (CHEMBL4329059)	Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta2 scintillation counting analysis
50007184	5	ChEMBL_1829180 (CHEMBL4329054)	Binding affinity to human H3 receptor
50007184	6	ChEMBL_1829182 (CHEMBL4329056)	Inhibition of human MAOB
50007184	7	ChEMBL_1829184 (CHEMBL4329058)	Inhibition of human BuChE
50007184	8	ChEMBL_1829183 (CHEMBL4329057)	Inhibition of human AChE
50007184	9	ChEMBL_1829193 (CHEMBL4329067)	Reversible inhibition of human MAOB
50007185	1	ChEMBL_1829256 (CHEMBL4329130)	Inhibition of S1P1 receptor (unknown origin)
50007185	2	ChEMBL_1829276 (CHEMBL4329150)	Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
50007185	3	ChEMBL_1829278 (CHEMBL4329152)	Activation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assay
50007185	4	ChEMBL_1829275 (CHEMBL4329149)	Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
50007187	1	ChEMBL_1829280 (CHEMBL4329154)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as inhibition of 2HG production after 48 hrs by LC-MS/MS analysis
50007187	2	ChEMBL_1829279 (CHEMBL4329153)	Inhibition of IDH1 (unknown origin) R132H mutant using alpha-KG as substrate after 60 mins in presence of NADPH by resazurin dye-based fluorescence assay
50007188	1	ChEMBL_1829442 (CHEMBL4329316)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 min time interval for 10 mins by Ellman's method
50007188	2	ChEMBL_1829443 (CHEMBL4329317)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human Jurkat cell membranes after 2 hrs by liquid scintillation counting method
50007188	3	ChEMBL_1829440 (CHEMBL4329314)	Displacement of [3H]-GR113808 from recombinant human 5-HT4BR expressed in membranes after 60 mins
50007188	4	ChEMBL_1829438 (CHEMBL4329312)	Inhibition of AChE (unknown origin)
50007188	5	ChEMBL_1829437 (CHEMBL4329311)	Agonist activity at 5-HT4R (unknown origin)
50007191	1	ChEMBL_1829449 (CHEMBL4329323)	Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by CCK-8 assay
50007194	1	ChEMBL_1829482 (CHEMBL4329356)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay
50007194	2	ChEMBL_1829480 (CHEMBL4329354)	Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay
50007194	3	ChEMBL_1829508 (CHEMBL4329382)	Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis
50007194	4	ChEMBL_1829490 (CHEMBL4329364)	Inhibition of recombinant C-terminal His-tagged human HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as substrate by fluorimetric assay
50007194	5	ChEMBL_1829487 (CHEMBL4329361)	Inhibition of recombinant C-terminal His-tagged human HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay
50007194	6	ChEMBL_1829485 (CHEMBL4329359)	Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as substrate by fluorimetric assay
50007194	7	ChEMBL_1829484 (CHEMBL4329358)	Inhibition of recombinant C-terminal His-tagged human HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate by fluorimetric assay
50007194	8	ChEMBL_1829483 (CHEMBL4329357)	Inhibition of recombinant N-terminal GST-tagged /C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cells using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorimetric assay
50007194	9	ChEMBL_1829481 (CHEMBL4329355)	Inhibition of recombinant full length C-terminal GST-tagged human HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate by fluorimetric assay
50007194	10	ChEMBL_1829489 (CHEMBL4329363)	Inhibition of human HDAC10 using RHKK-Ac as substrate by fluorimetric assay
50007194	11	ChEMBL_1829486 (CHEMBL4329360)	Inhibition of recombinant N-terminal GST-tagged human HDAC7 (518 to 991 residues) expressed in Baculovirus infected insect cells using Boc-K(Ac)-AMC as substrate by fluorimetric assay
50007194	12	ChEMBL_1829488 (CHEMBL4329362)	Inhibition of human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorimetric assay
50007195	1	ChEMBL_1829516 (CHEMBL4329390)	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured at 1 sec interval up to 60 secs by chemiluminescence assay
50007195	2	ChEMBL_1829523 (CHEMBL4329397)	Inhibition of ovine COX2 by colorimetric assay
50007195	3	ChEMBL_1829520 (CHEMBL4329394)	Inhibition of recombinant human COX2 assessed as decrease in PGE2 release after 10 mins by ELISA
50007196	1	ChEMBL_1829531 (CHEMBL4329405)	Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate by spectrophotometric method
50007196	2	ChEMBL_1829533 (CHEMBL4329407)	Inhibition of TDO (unknown origin) using L-tryptophan as substrate by spectrophotometric method
50007196	3	ChEMBL_1829534 (CHEMBL4329408)	Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs
50007196	4	ChEMBL_1829535 (CHEMBL4329409)	Inhibition of mouse IDO2 expressed in human T-REx cells using L-tryptophan as substrate after 20 hrs
50007196	5	ChEMBL_1829536 (CHEMBL4329410)	Inhibition of human TDO expressed in human T-REx cells using L-tryptophan as substrate after 20 hrs
50007196	6	ChEMBL_1829532 (CHEMBL4329406)	Inhibition of IDO2 (unknown origin) using L-tryptophan as substrate by spectrophotometric method
50007197	1	ChEMBL_1829544 (CHEMBL4329418)	Binding affinity to LSD1 (unknown origin)
50007197	2	ChEMBL_1829546 (CHEMBL4329420)	Inhibition of full length recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE3) using H3K4me2 as substrate after 30 mins in presence of FAD by amplex red reagent based fluorescence assay
50007197	3	ChEMBL_1829555 (CHEMBL4329429)	Inhibition of IDO1 (unknown origin)
50007198	1	ChEMBL_1829675 (CHEMBL4329549)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50007200	1	ChEMBL_1829703 (CHEMBL4329577)	Binding affinity to human ERG by dofetilide fluorescence polarization binding assay
50007201	1	ChEMBL_1829715 (CHEMBL4329589)	Inhibition of human HDAC2
50007201	2	ChEMBL_1829716 (CHEMBL4329590)	Inhibition of human HDAC3
50007201	3	ChEMBL_1829717 (CHEMBL4329591)	Inhibition of HDAC class 1 in human HeLa cells after 4 hrs by spectrophotometric analysis
50007201	4	ChEMBL_1829714 (CHEMBL4329588)	Inhibition of human HDAC1 preincubated for 10 mins followed by BML-KI104 substrate addition and measured after 1 hr by spectrophotometric analysis
50007202	1	ChEMBL_1829744 (CHEMBL4329618)	Inhibition of human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) T790M mutant expressed in baculovirus expression system after 1 hr in presence of ULight-labeled peptide substrate and ATP by LANCE ultra kinase assay
50007202	2	ChEMBL_1829742 (CHEMBL4329616)	Inhibition of wild type human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system after 1 hr in presence of ULight-labeled peptide substrate and ATP by LANCE ultra kinase assay
50007202	3	ChEMBL_1829743 (CHEMBL4329617)	Inhibition of wild type human N-terminal His-tagged HER2 cytoplasmic domain (676 to 1255 residues) expressed in baculovirus expression system after 1 hr in presence of ULight-labeled peptide substrate and ATP by LANCE ultra kinase assay
50007203	1	ChEMBL_1829776 (CHEMBL4329650)	Inhibition of GFP-fused PLD2 (unknown origin) expressed in HEK293 cells by cellular assay
50007203	2	ChEMBL_1829775 (CHEMBL4329649)	Inhibition of PLD1 in human Calu1 cells
50007203	3	ChEMBL_1829771 (CHEMBL4329645)	Inhibition of PLD1 (unknown origin)
50007203	4	ChEMBL_1829772 (CHEMBL4329646)	Inhibition of PLD2 (unknown origin)
50007204	1	ChEMBL_1829783 (CHEMBL4329657)	Binding affinity to RIP1 (unknown origin) by fluorescence polarization assay
50007205	1	ChEMBL_1829784 (CHEMBL4329658)	Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of calcium mobilization by FLIPR assay
50007205	2	ChEMBL_1829786 (CHEMBL4329660)	Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of CP55940-induced [35S]GTPgammaS binding
50007206	1	ChEMBL_1829790 (CHEMBL4329664)	Inhibition of recombinant human C-terminal GST-tagged IKKbeta (1 to 737 residues) expressed in baculovirus expression system using GST-IkBalpha substrate measured after 30 mins by TR-FRET assay
50007206	2	ChEMBL_1829793 (CHEMBL4329667)	Inhibition of IKKbeta in human CD14-positive monocytes assessed as reduction in LPS-stimulated TNFalpha secretion preincubated for 30 mins followed by LPS stimulation and measured after 24 hrs by Alpha screen assay
50007208	1	ChEMBL_1829815 (CHEMBL4329689)	Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-radiometric scintillation proximity assay
50007208	2	ChEMBL_1829842 (CHEMBL4329716)	Inhibition of human CYP2C19
50007208	3	ChEMBL_1829816 (CHEMBL4329690)	Activation of PXR (unknown origin)
50007208	4	ChEMBL_1829843 (CHEMBL4329717)	Inhibition of human CYP2D6
50007208	5	ChEMBL_1829841 (CHEMBL4329715)	Inhibition of human CYP2C9
50007208	6	ChEMBL_1829814 (CHEMBL4329688)	Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-radiometric scintillation proximity assay
50007208	7	ChEMBL_1829844 (CHEMBL4329718)	Inhibition of human CYP1A2
50007208	8	ChEMBL_1829840 (CHEMBL4329714)	Inhibition of human CYP3A4
50007209	1	ChEMBL_1829870 (CHEMBL4329744)	Inhibition of human PMN leukocytes MPO peroxidation activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured for 15 mins by amplex red reagent based assay
50007209	2	ChEMBL_1829869 (CHEMBL4329743)	Inhibition of human PMN leukocytes MPO chlorination activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured for 15 mins in presence of NaCl by aminophenyl fluorescein based assay
50007209	3	ChEMBL_1829877 (CHEMBL4329751)	Inhibition of human LPO assessed as reduction in H2O2 catalyzed 3,5-iodo tyrosine formation from 3-iodotyrosine and potassium iodide preincubated for 10 mins followed by tyrosine/potassium bromide/H2O2 addition measured after 15 mins
50007209	4	ChEMBL_1829875 (CHEMBL4329749)	Inhibition of human EPX bromination activity assessed as reduction in H2O2 catalyzed 3-bromo tyrosine formation from tyrosine and potassium bromide preincubated for 10 mins followed by tyrosine/potassium bromide/H2O2 addition measured after 15 mins by RP-UPLC analysis
50007209	5	ChEMBL_1829871 (CHEMBL4329745)	Inhibition of CYP3A4 (unknown origin)
50007209	6	ChEMBL_1829876 (CHEMBL4329750)	Inhibition of human TPO assessed as reduction in H2O2 catalyzed 3,5-iodo tyrosine formation from 3-iodotyrosine and potassium iodide preincubated for 10 mins followed by tyrosine/potassium bromide/H2O2 addition measured after 15 mins
50007210	1	ChEMBL_1829893 (CHEMBL4329767)	Inhibition of Cy5-preE-let-7g binding to recombinant human N-terminal His6-tagged Lin28a expressed in Escherichia coli Rosetta2 (DE3) pLysS measured after 30 to 60 mins by electrophoretic mobility shift assay
50007210	2	ChEMBL_1829903 (CHEMBL4329777)	Binding affinity to recombinant human N-terminal His6-tagged Lin28a expressed in Escherichia coli Rosetta2 (DE3) pLysS by surface plasmon resonance analysis
50007211	1	ChEMBL_1829979 (CHEMBL4329853)	Inhibition of recombinant human HIF-PHD1 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as substrates preincubated for 30 mins followed by substrates addition and measured after 2 hrs by TR-FRET assay
50007211	2	ChEMBL_1829997 (CHEMBL4329871)	Inhibition of Cav1.2 (unknown origin)
50007211	3	ChEMBL_1829980 (CHEMBL4329854)	Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as substrates preincubated for 30 mins followed by substrates addition and measured after 2 hrs by TR-FRET assay
50007211	4	ChEMBL_1829981 (CHEMBL4329855)	Inhibition of recombinant human HIF-PHD3 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL and 2-oxoglutarate as substrates preincubated for 30 mins followed by substrates addition and measured after 2 hrs by TR-FRET assay
50007211	5	ChEMBL_1829994 (CHEMBL4329868)	Inhibition of CysLT2 (unknown origin)
50007211	6	ChEMBL_1829996 (CHEMBL4329870)	Inhibition of Nav1.5 (unknown origin)
50007211	7	ChEMBL_1829998 (CHEMBL4329872)	Inhibition of CYP3A4 (unknown origin)
50007211	8	ChEMBL_1829995 (CHEMBL4329869)	Inhibition of iKr (unknown origin)
50007211	9	ChEMBL_1829999 (CHEMBL4329873)	Activation of human PXR
50007213	1	ChEMBL_1830006 (CHEMBL4329880)	Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-4-oxobutyl)(methyl)carbamoyl)phenyl)-3-imino-3H-xanthene-4,5-disulfonic acid from pirin (unknown origin) by fluorescence polarization assay
50007213	2	ChEMBL_1830009 (CHEMBL4329883)	Inhibition of recombinant human GST-tagged BRAF V600E mutant expressed in baculovirus expression system
50007213	3	ChEMBL_1830008 (CHEMBL4329882)	Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression system
50007213	4	ChEMBL_1830002 (CHEMBL4329876)	Inhibition of PLK1 (unknown origin)
50007213	5	ChEMBL_1830003 (CHEMBL4329877)	Inhibition of BRD4 (unknown origin)
50007213	6	ChEMBL_1830004 (CHEMBL4329878)	Inhibition recombinant human TAOK1 (1 to 356 residues) after 5 mins in presence of [33P] ATP by Topcount method
50007213	7	ChEMBL_1830005 (CHEMBL4329879)	Inhibition recombinant human HIPK2 (165 to 564 residues) after 5 mins in presence of [33P] ATP by Topcount method
50007214	1	ChEMBL_1830027 (CHEMBL4329901)	Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase C316N mutant infected in human HuH7 replicon cells after 3 days by luciferase reporter gene assay
50007214	2	ChEMBL_1830028 (CHEMBL4329902)	Inhibition of HCV genotype 2a JFH1 NS5B RNA dependent RNA polymerase infected in human HuH7 replicon cells after 3 days by luciferase reporter gene assay
50007214	3	ChEMBL_1830026 (CHEMBL4329900)	Inhibition of HCV genotype 1a NS5B RNA dependent RNA polymerase infected in human HuH7 replicon cells after 3 days by luciferase reporter gene assay
50007214	4	ChEMBL_1830025 (CHEMBL4329899)	Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase infected in human HuH7 replicon cells after 3 days by luciferase reporter gene assay
50007216	1	ChEMBL_1830054 (CHEMBL4329928)	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysis
50007216	2	ChEMBL_1830080 (CHEMBL4329954)	Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysis
50007216	3	ChEMBL_1830056 (CHEMBL4329930)	Inhibition of wild type KRAS in human RKO cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysis
50007216	4	ChEMBL_1830057 (CHEMBL4329931)	Inhibition of wild type KRAS in human SNUC5 cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysis
50007216	5	ChEMBL_1830058 (CHEMBL4329932)	Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by Western blot analysis
50007217	1	ChEMBL_1830092 (CHEMBL4329966)	Inhibition of human DHFR assessed as reduction in NADPH consumption by spectrophotometric method
50007217	2	ChEMBL_1830100 (CHEMBL4329974)	Inhibition of human DHFR
50007218	1	ChEMBL_1830116 (CHEMBL4329990)	Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using 4-Mu-GlcNAc as substrate measured after 30 mins by fluorescence assay
50007218	2	ChEMBL_1830131 (CHEMBL4330005)	Inhibition of human beta-N-acetylhexosaminidase using pNP-beta-GlcNAc as substrate by dixon plot analysis
50007218	3	ChEMBL_1830123 (CHEMBL4329997)	Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by dixon plot analysis
50007218	4	ChEMBL_1830122 (CHEMBL4329996)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of 4-Mu-GlcNAc as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by dixon plot analysis
50007218	5	ChEMBL_1830115 (CHEMBL4329989)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using 4-Mu-GlcNAc as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007218	6	ChEMBL_1830114 (CHEMBL4329988)	Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using 4-Mu-GlcNAc as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007218	7	ChEMBL_1830126 (CHEMBL4330000)	Inhibition of recombinant human His6-tagged HexB expressed in Pichia pastoris using varying levels of 4-Mu-GlcNAc as substrate measured after 30 mins by fluorescence assay by dixon plot analysis a
50007218	8	ChEMBL_1830127 (CHEMBL4330001)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of pNP-beta-GlcNAc as substrate by Lineweaver-burk plot analysis
50007218	9	ChEMBL_1830128 (CHEMBL4330002)	Inhibition of human HexB
50007218	10	ChEMBL_1830117 (CHEMBL4329991)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using 4-Mu-GlcNAc as substrate measured after 30 mins by fluorescence assay
50007218	11	ChEMBL_1830125 (CHEMBL4329999)	Inhibition of recombinant human OGA expressed in Escherichia coli BL21 (DE3) using varying levels of 4-Mu-GlcNAc as substrate measured after 30 mins by fluorescence assay by dixon plot analysis
50007218	12	ChEMBL_1830130 (CHEMBL4330004)	Inhibition of human beta-N-acetylhexosaminidase using p-nitrophenyl glycoside as substrate by spectrometric method
50007219	1	ChEMBL_1830135 (CHEMBL4330009)	Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyresorufin O-de-ethylation preincubated for 3 mins followed by NADPH addition and measured after 10 mins by fluorometric method
50007219	2	ChEMBL_1830136 (CHEMBL4330010)	Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyresorufin O-de-ethylation preincubated for 3 mins followed by NADPH addition and measured after 10 mins by fluorometric method
50007219	3	ChEMBL_1830134 (CHEMBL4330008)	Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyresorufin O-de-ethylation preincubated for 3 mins followed by NADPH addition and measured after 10 mins by fluorometric method
50007220	1	ChEMBL_1830142 (CHEMBL4330016)	Inhibition of KLK4 (unknown origin) expressed in sf9 cells using Ac-FVQR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	2	ChEMBL_1830148 (CHEMBL4330022)	Inhibition of thrombin (unknown origin) using Bz-FVR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	3	ChEMBL_1830140 (CHEMBL4330014)	Inhibition of KLK5 (unknown origin) expressed in Pichia pastoris strain X-33 using Ac-YRSR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	4	ChEMBL_1830145 (CHEMBL4330019)	Inhibition of KLK7 (unknown origin) expressed in Pichia pastoris strain X-33 using KHLY-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	5	ChEMBL_1830146 (CHEMBL4330020)	Inhibition of KLK14 (unknown origin) expressed in sf9 cells using Ac-YANR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	6	ChEMBL_1830147 (CHEMBL4330021)	Inhibition of factor 10a (unknown origin) using Ac-QRSR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	7	ChEMBL_1830151 (CHEMBL4330025)	Inhibition of factor 12a (unknown origin) using Ac-QRFR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	8	ChEMBL_1830149 (CHEMBL4330023)	Inhibition of plasma kallikrein (unknown origin) using Ac-NLTR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	9	ChEMBL_1830144 (CHEMBL4330018)	Inhibition of trypsin (unknown origin)
50007220	10	ChEMBL_1830150 (CHEMBL4330024)	Inhibition of trypsin (unknown origin) using Bz-FVR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007220	11	ChEMBL_1830143 (CHEMBL4330017)	Inhibition of plasmin (unknown origin) using Ac-RM(O2)YR-pNA as substrate preincubated for 30 mins followed by substrate addition and measured for 7 mins by spectrophotometric method
50007221	1	ChEMBL_1830162 (CHEMBL4330036)	Inhibition of ABHD16A (unknown origin)
50007221	2	ChEMBL_1830167 (CHEMBL4330041)	Reversible inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 40 fold compound dilution and subsequent 1-LG substrate addition and measured at 30 mins time interval for 120 mins by fluorometric assay
50007221	3	ChEMBL_1830166 (CHEMBL4330040)	Inhibition of human ABHD16A expressed in HEK293 cells preincubated for 30 mins followed by 1-LG substrate addition and measured after 90 to 120 mins by fluorometric assay
50007224	1	ChEMBL_1830177 (CHEMBL4330051)	Inhibition of full length human N-terminal FLAG-tagged HDAC6 (1 to 1215 residues) expressed in HEK293 cells preincubated for 15 mins followed by acetyl-Gly-Ala-[acetyl-Lys]-AMC substrate addition measured after 30 mins by fluorimetric method
50007224	2	ChEMBL_1830178 (CHEMBL4330052)	Inhibition of full length human N-terminal FLAG-tagged HDAC8 (1 to 377 residues) expressed in HEK293 cells preincubated for 15 mins followed by Boc-[trifluoroacetyl-Lys]-AMC substrate addition measured after 30 mins by fluorimetric method
50007227	1	ChEMBL_1830186 (CHEMBL4330194)	Inhibition of TRKA (unknown origin) by FISH assay
50007227	2	ChEMBL_1830184 (CHEMBL4330192)	Inhibition of TRKB (unknown origin)
50007227	3	ChEMBL_1830196 (CHEMBL4330204)	Inhibition of AXL (unknown origin)
50007227	4	ChEMBL_1830191 (CHEMBL4330199)	Inhibition of TRKA G595R mutant (unknown origin)
50007227	5	ChEMBL_1830185 (CHEMBL4330193)	Inhibition of TRKC (unknown origin)
50007227	6	ChEMBL_1830183 (CHEMBL4330191)	Inhibition of TRKA (unknown origin)
50007227	7	ChEMBL_1830208 (CHEMBL4330216)	Inhibition of TRKA (unknown origin) by ATP site-dependent competition binding assay
50007227	8	ChEMBL_1830207 (CHEMBL4330215)	Inhibition of human CSF1R catalytic domain by ATP-based kinase assay
50007227	9	ChEMBL_1830206 (CHEMBL4330214)	Inhibition of RON (unknown origin) by FISH assay
50007227	10	ChEMBL_1830201 (CHEMBL4330209)	Inhibition of TIE2 (unknown origin)
50007227	11	ChEMBL_1830198 (CHEMBL4330206)	Inhibition of FLT3 (unknown origin)
50007227	12	ChEMBL_1830197 (CHEMBL4330205)	Inhibition of VEGFR2 (unknown origin)
50007227	13	ChEMBL_1830195 (CHEMBL4330203)	Inhibition of IR (unknown origin)
50007227	14	ChEMBL_1830194 (CHEMBL4330202)	Inhibition of IGF-1R (unknown origin)
50007227	15	ChEMBL_1830190 (CHEMBL4330198)	Inhibition of ROS1 G2032R mutant (unknown origin)
50007227	16	ChEMBL_1830188 (CHEMBL4330196)	Inhibition of TRKA G667C mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay
50007227	17	ChEMBL_1830187 (CHEMBL4330195)	Inhibition of TRKA G595R mutant (unknown origin) using poly-EAY peptide as substrate in presence of gamma-33ATP by LanthaScreen assay
50007227	18	ChEMBL_1830180 (CHEMBL4330188)	Inhibition of human ALK cytoplasmic domain (1060 to 1620 residues) expressed in sf9 cells using H-ARDIYRASFFRKGGCAMLPVK-CONH2 peptide as substrate after 1 hr in presence of [gamma-33ATP] by top count analysis
50007227	19	ChEMBL_1830205 (CHEMBL4330213)	Inhibition of cMET (unknown origin) by FISH assay
50007227	20	ChEMBL_1830200 (CHEMBL4330208)	Inhibition of cMET (unknown origin)
50007227	21	ChEMBL_1830199 (CHEMBL4330207)	Inhibition of cKIT (unknown origin)
50007228	1	ChEMBL_1830221 (CHEMBL4330229)	Inhibition of PD1/PDL1 interaction (unknown origin) after 15 mins by HTRF assay
50007228	2	ChEMBL_1830211 (CHEMBL4330219)	Binding affinity to Fc-labeled human PDL1 expressed in Escherichia coli by SPR spectroscopy
50007228	3	ChEMBL_1830215 (CHEMBL4330223)	Inhibition of PD1/PDL1 interaction in human jurkat cells co-expressing TCR promoter assessed as TCR activation by luciferase reporter gene assay
50007228	4	ChEMBL_1830210 (CHEMBL4330218)	Binding affinity to human PD1 (34 to 150 residues) expressed in Escherichia coli BL21 (DE3) measured for 120 secs by SPR analysis
50007228	5	ChEMBL_1830213 (CHEMBL4330221)	Inhibition of mouse PDL1 in mouse splenocytes assessed as rescue of splenocyte effector function
50007228	6	ChEMBL_1830214 (CHEMBL4330222)	Inhibition of mouse PDL2 in mouse splenocytes assessed as rescue of splenocyte effector function
50007228	7	ChEMBL_1830219 (CHEMBL4330227)	Inhibition of PD1/PDL1 (unknown origin) interaction by HTRF assay
50007228	8	ChEMBL_1830220 (CHEMBL4330228)	Inhibition of recombinant human PD1 (25 to 167 residues)/human PDL1 (19 to 238 residues) interaction after 40 mins by HTRF assay
50007228	9	ChEMBL_1830212 (CHEMBL4330220)	Binding affinity to biotinylated PDL1 (unknown origin) expressed in Escherichia coli OmpX membrane after 45 mins by SAPE-fluorescence based flow cytometry
50007230	1	ChEMBL_1830261 (CHEMBL4330269)	Inhibition of recombinant human ADK using [3H]-adenosine as substrate after 20 mins by TLC scanner-based analysis relative to control
50007232	1	ChEMBL_1830400 (CHEMBL4330408)	Inhibition of VEGFR2 (unknown origin) after 1 hr by ADP-Glo reagent based luminescent assay
50007232	2	ChEMBL_1830401 (CHEMBL4330409)	Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay
50007232	3	ChEMBL_1830402 (CHEMBL4330410)	Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay
50007233	1	ChEMBL_1830446 (CHEMBL4330454)	Inhibition of AXL (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	2	ChEMBL_1830437 (CHEMBL4330445)	Inhibition of c-Met (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	3	ChEMBL_1830439 (CHEMBL4330447)	Inhibition of c-Kit (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	4	ChEMBL_1830440 (CHEMBL4330448)	Inhibition of KDR (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	5	ChEMBL_1830443 (CHEMBL4330451)	Inhibition of c-Src (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	6	ChEMBL_1830445 (CHEMBL4330453)	Inhibition of EGFR (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	7	ChEMBL_1830444 (CHEMBL4330452)	Inhibition of IGF-1R (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	8	ChEMBL_1830441 (CHEMBL4330449)	Inhibition of HER-2 (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	9	ChEMBL_1830438 (CHEMBL4330446)	Inhibition of Ron (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007233	10	ChEMBL_1830442 (CHEMBL4330450)	Inhibition of ALK (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50007234	1	ChEMBL_1830456 (CHEMBL4330464)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate after 10 mins measured for every mins by Ellman's method
50007234	2	ChEMBL_1830457 (CHEMBL4330465)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate after 10 mins measured for every mins by Ellman's method
50007234	3	ChEMBL_1830458 (CHEMBL4330466)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate after 10 mins measured for every mins by Lineweaver-Burk plot analysis
50007236	1	ChEMBL_1830486 (CHEMBL4330494)	Inhibition of VEGFR-2 (unknown origin) after 15 mins in presence of [33P]ATP by scintillation counting analysis
50007236	2	ChEMBL_1830489 (CHEMBL4330497)	Inhibition of recombinant FGFR1 (unknown origin) expressed in baculovirus infected insect cells using GGGGQDGKDYIVLPI as substrate after 1 to 4 hrs by time-resolved fluorescence assay
50007238	1	ChEMBL_1830492 (CHEMBL4330500)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR4 expressed in African green monkey COS1 cell membranes after 2 hrs by scintillation counting method
50007238	2	ChEMBL_1830491 (CHEMBL4330499)	Inhibition of human SSTR5 by radioligand binding assay
50007238	3	ChEMBL_1830493 (CHEMBL4330501)	Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR5 expressed in African green monkey COS1 cell membranes after 2 hrs by scintillation counting method
50007238	4	ChEMBL_1830490 (CHEMBL4330498)	Inhibition of human SSTR4 by radioligand binding assay
50007239	1	ChEMBL_1830569 (CHEMBL4330577)	Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assay
50007239	2	ChEMBL_1830561 (CHEMBL4330569)	Inhibition of human CYP1B1 by EROD assay
50007239	3	ChEMBL_1830578 (CHEMBL4330586)	Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in TCDD-induced CYP1B1-mediated EROD activity by EROD assay
50007239	4	ChEMBL_1830571 (CHEMBL4330579)	Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay
50007239	5	ChEMBL_1830570 (CHEMBL4330578)	Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
50007239	6	ChEMBL_1830564 (CHEMBL4330572)	Inhibition of human liver microsomes CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by EROD assay
50007239	7	ChEMBL_1830573 (CHEMBL4330581)	Inhibition of CYP1B1 in human HepG2 cells
50007239	8	ChEMBL_1830577 (CHEMBL4330585)	Mixed type inhibition of human CYP1B1 by EROD assay
50007239	9	ChEMBL_1830574 (CHEMBL4330582)	Inhibition of human CYP1A1 using ethoxyresorufin as substrate by EROD assay
50007239	10	ChEMBL_1830572 (CHEMBL4330580)	Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha cell membranes coexpressing human NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate by EROD assay
50007239	11	ChEMBL_1830560 (CHEMBL4330568)	Inhibition of CYP1B1 in human MCF7 cells assessed as reduction in DMBA-induced CYP1B1-mediated EROD activity by EROD assay
50007239	12	ChEMBL_1830562 (CHEMBL4330570)	Inhibition of human CYP1A1 by EROD assay
50007239	13	ChEMBL_1830576 (CHEMBL4330584)	Inhibition of human CYP1B1 using ethoxyresorufin as substrate preincubated for 3 mins followed by NADPH addition measured after 10 mins by EROD assay
50007239	14	ChEMBL_1830575 (CHEMBL4330583)	Inhibition of human CYP1A1 using ethoxyresorufin as substrate by MROD assay
50007241	1	ChEMBL_1830579 (CHEMBL4330587)	Inhibition of VEGFR-2 (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate after 5 mins by ELISA
50007241	2	ChEMBL_1830580 (CHEMBL4330588)	Inhibition of FGFR-1 (unknown origin) by ELISA
50007241	3	ChEMBL_1830581 (CHEMBL4330589)	Inhibition of PDGFR-beta (unknown origin) by ELISA
50007241	4	ChEMBL_1830587 (CHEMBL4330595)	Inhibition of VEGFR-2 (unknown origin)
50007241	5	ChEMBL_1830588 (CHEMBL4330596)	Inhibition of FGFR-1 (unknown origin)
50007242	1	ChEMBL_1830666 (CHEMBL4330674)	Anti-biofilm activity against Enterococcus faecalis after 24 hrs by XTT assay
50007243	1	ChEMBL_1830679 (CHEMBL4330687)	Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence assay
50007243	2	ChEMBL_1830680 (CHEMBL4330688)	Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence assay
50007244	1	ChEMBL_1831171 (CHEMBL4331179)	Binding affinity to wild-type human partial length FLT3 (H564 to Y969 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	2	ChEMBL_1831049 (CHEMBL4331057)	Binding affinity to human partial length FLT3 ITD/F691L double mutant expressed in bacterial expression system after 60 mins by Kinomescan method
50007244	3	ChEMBL_1831097 (CHEMBL4331105)	Binding affinity to human phosphorylated ABL1 Q252H mutant expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	4	ChEMBL_1831108 (CHEMBL4331116)	Inhibition of human c-KIT using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	5	ChEMBL_1831117 (CHEMBL4331125)	Inhibition of human c-SRC using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	6	ChEMBL_1831118 (CHEMBL4331126)	Inhibition of human CDK6/cyclin-D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	7	ChEMBL_1831113 (CHEMBL4331121)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	8	ChEMBL_1831116 (CHEMBL4331124)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	9	ChEMBL_1831121 (CHEMBL4331129)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	10	ChEMBL_1831120 (CHEMBL4331128)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	11	ChEMBL_1831124 (CHEMBL4331132)	Inhibition of human CDK4/cyclin-D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	12	ChEMBL_1831045 (CHEMBL4331053)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	13	ChEMBL_1831092 (CHEMBL4331100)	Binding affinity to human non-phosphorylated ABL1 F317L mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	14	ChEMBL_1831093 (CHEMBL4331101)	Binding affinity to human phosphorylated ABL1 F317L mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	15	ChEMBL_1831094 (CHEMBL4331102)	Binding affinity to human non-phosphorylated ABL1 H396P mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	16	ChEMBL_1831096 (CHEMBL4331104)	Binding affinity to human non-phosphorylated ABL1 Q252H mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	17	ChEMBL_1831099 (CHEMBL4331107)	Binding affinity to human phosphorylated ABL1 T315I mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	18	ChEMBL_1831101 (CHEMBL4331109)	Binding affinity to wild-type human phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	19	ChEMBL_1831103 (CHEMBL4331111)	Binding affinity to wild-type human partial length autoinhibited CSF1R (Y538 to S939 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	20	ChEMBL_1831104 (CHEMBL4331112)	Binding affinity to wild-type human partial length autoinhibited FLT3 (H564 to Y969 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	21	ChEMBL_1831109 (CHEMBL4331117)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	22	ChEMBL_1831111 (CHEMBL4331119)	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	23	ChEMBL_1831114 (CHEMBL4331122)	Inhibition of human NEK2 using MBP as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	24	ChEMBL_1831115 (CHEMBL4331123)	Inhibition of human CHK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	25	ChEMBL_1831119 (CHEMBL4331127)	Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	26	ChEMBL_1831123 (CHEMBL4331131)	Inhibition of human CDK7/cyclin-H using MBP as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	27	ChEMBL_1831110 (CHEMBL4331118)	Inhibition of human PIM1 using KKRNRTLTK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	28	ChEMBL_1831106 (CHEMBL4331114)	Binding affinity to wild-type human partial length autoinhibited KIT (Y545 to D952 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	29	ChEMBL_1831048 (CHEMBL4331056)	Binding affinity to human partial length FLT3 ITD/D835V double mutant expressed in bacterial expression system after 60 mins by Kinomescan method
50007244	30	ChEMBL_1831091 (CHEMBL4331099)	Binding affinity to human phosphorylated ABL1 F317I mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	31	ChEMBL_1831095 (CHEMBL4331103)	Binding affinity to human phosphorylated ABL1 H396P mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	32	ChEMBL_1831100 (CHEMBL4331108)	Binding affinity to wild-type human non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	33	ChEMBL_1831105 (CHEMBL4331113)	Binding affinity to wild-type human partial length KIT (I571 to D952 residues) expressed in bacterial expression system after 60 mins by Kinomescan method
50007244	34	ChEMBL_1831112 (CHEMBL4331120)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	35	ChEMBL_1831122 (CHEMBL4331130)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	36	ChEMBL_1831047 (CHEMBL4331055)	Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	37	ChEMBL_1831046 (CHEMBL4331054)	Inhibition of human FLT3 D835Y mutant using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by Hotspot assay
50007244	38	ChEMBL_1831090 (CHEMBL4331098)	Binding affinity to human non-phosphorylated ABL1 F317I mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007244	39	ChEMBL_1831102 (CHEMBL4331110)	Binding affinity to wild-type human partial length CSF1R (I564 to S939 residues) expressed in bacterial expression system after 60 mins by Kinomescan method
50007244	40	ChEMBL_1831098 (CHEMBL4331106)	Binding affinity to human non-phosphorylated ABL1 T315I mutant (S229 to K512 residues) expressed in mammalian expression system after 60 mins by Kinomescan method
50007250	1	ChEMBL_1831182 (CHEMBL4331190)	Inhibition of human GAC after 10 mins by glutamate oxidase coupled Amplex UltraRed dye based assay
50007250	2	ChEMBL_1831181 (CHEMBL4331189)	Inhibition of GAC (unknown origin)
50007250	3	ChEMBL_1831188 (CHEMBL4331196)	Inhibition of cystine/glutamate antiporter system xc- in human HT1080 cells assessed as reduction in L-[3,3'-14C]-cystine uptake in presence of Na+ free uptake buffer by scintillation counting assay
50007250	4	ChEMBL_1831189 (CHEMBL4331197)	Inhibition of cystine/glutamate antiporter system xc- in human Calu1 cells assessed as reduction in L-[3,3'-14C]-cystine uptake in presence of Na+ free uptake buffer by scintillation counting assay
50007250	5	ChEMBL_1831187 (CHEMBL4331195)	Inhibition of xCT-mediated cystein/glutamate transporter (unknown origin) assessed as reduction in L-[14C]cyctein uptake
50007250	6	ChEMBL_1831184 (CHEMBL4331192)	Inhibition of recombinant GAC (unknown origin) after 15 mins in presence of NADPH by glutamate oxidase coupled spectrophotometric analysis
50007250	7	ChEMBL_1831185 (CHEMBL4331193)	Inhibition of ASCT2 (unknown origin)
50007253	1	ChEMBL_1831190 (CHEMBL4331198)	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in insect cells using RtGWWRFYTLRRARQGNTKQR as substrate measured after 180 mins in presence of [gamma33P]ATP by topcount method
50007254	1	ChEMBL_1831218 (CHEMBL4331226)	Inhibition of porcine brain tubulin polymerization measured every 2 mins for 60 mins by spectrophotometric analysis
50007255	1	ChEMBL_1831282 (CHEMBL4331290)	Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate after 2 hrs
50007255	2	ChEMBL_1831283 (CHEMBL4331291)	Inhibition of human full-length recombinant HDAC8 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKAcKAc as substrate after 2 hrs
50007255	3	ChEMBL_1831284 (CHEMBL4331292)	Inhibition of human full-length recombinant HDAC11 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate after 2 hrs
50007255	4	ChEMBL_1831281 (CHEMBL4331289)	Inhibition of human full-length recombinant HDAC1 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate after 2 hrs
50007255	5	ChEMBL_1831289 (CHEMBL4331297)	Inhibition of human HDAC6 CD2 expressed in Escherichia coli BL21 (RIL) using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007255	6	ChEMBL_1831287 (CHEMBL4331295)	Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007255	7	ChEMBL_1831286 (CHEMBL4331294)	Competitive inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007255	8	ChEMBL_1831288 (CHEMBL4331296)	Competitive inhibition of human HDAC6 CD2 expressed in Escherichia coli BL21 (RIL) using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007260	1	ChEMBL_1831490 (CHEMBL4331498)	Inhibition of BRAF (unknown origin)
50007260	2	ChEMBL_1831492 (CHEMBL4331500)	Inhibition of desthiobiotin-ATP acylphosphate probe binding to A-Raf in human A375 cells by MS analysis
50007260	3	ChEMBL_1831424 (CHEMBL4331432)	Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using human full length 6His-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50007260	4	ChEMBL_1831417 (CHEMBL4331425)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007260	5	ChEMBL_1831412 (CHEMBL4331420)	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007260	6	ChEMBL_1831413 (CHEMBL4331421)	Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50007260	7	ChEMBL_1831416 (CHEMBL4331424)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007260	8	ChEMBL_1831418 (CHEMBL4331426)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007260	9	ChEMBL_1831422 (CHEMBL4331430)	Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay
50007260	10	ChEMBL_1831423 (CHEMBL4331431)	Inhibition of human cRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay
50007260	11	ChEMBL_1831489 (CHEMBL4331497)	Inhibition of ARaf (unknown origin)
50007260	12	ChEMBL_1831491 (CHEMBL4331499)	Inhibition of cRAF (unknown origin)
50007260	13	ChEMBL_1831493 (CHEMBL4331501)	Inhibition of desthiobiotin-ATP acylphosphate probe binding to B-Raf in human A375 cells by MS analysis
50007260	14	ChEMBL_1831494 (CHEMBL4331502)	Inhibition of desthiobiotin-ATP acylphosphate probe binding to C-Raf in human A375 cells by MS analysis
50007260	15	ChEMBL_1831414 (CHEMBL4331422)	Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007260	16	ChEMBL_1831419 (CHEMBL4331427)	Inhibition of human RET using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50007260	17	ChEMBL_1831415 (CHEMBL4331423)	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50007260	18	ChEMBL_1831420 (CHEMBL4331428)	Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay
50007260	19	ChEMBL_1831421 (CHEMBL4331429)	Inhibition of human BRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay
50007262	1	ChEMBL_1831511 (CHEMBL4331519)	Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expressed in bacterial expression system by quantitative PCR based KINOMEscan assay
50007263	1	ChEMBL_1831514 (CHEMBL4331522)	Inhibition of Plasmodium falciparum recombinant N-terminal His6-tagged DHODH (159-569 residues) expressed in Escherichia coli BL21(DE3) using DHO as substrate measured every min for 5 mins by DCPI dye-based photometric analysis
50007263	2	ChEMBL_1831515 (CHEMBL4331523)	Inhibition of human recombinant N-terminal GST-tagged DHODH (31 to 395 residues) expressed in Escherichia coli BL21(DE3) using DHO as substrate preincubated for 5 mins followed by substrate addition and measured for 5 mins by DCPI dye-based assay
50007266	1	ChEMBL_1831522 (CHEMBL4331530)	Inhibition of BRD4 BD1 (unknown origin) using biotin labelled NeC: SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by alpha screen assay
50007266	2	ChEMBL_1831520 (CHEMBL4331528)	Inhibition of recombinant full length human N-terminal His6-tagged BRD4 (2 to 1362 residues) expressed in baculovirus infected insect cells using histone H4 peptide as substrate by alpha screen assay
50007266	3	ChEMBL_1831533 (CHEMBL4331541)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential after 2.5 mins by Qpatch clamp assay
50007266	4	ChEMBL_1831521 (CHEMBL4331529)	Inhibition of BRD4 in human MV4-11 cells using biotin labelled N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alpha screen assay
50007267	1	ChEMBL_1831562 (CHEMBL4331570)	Inhibition of human MAO-A preincubated for 15 mins followed by p-tyramine substrate addition and measured after 20 mins by Amplex red reagent based fluorescence assay
50007267	2	ChEMBL_1831563 (CHEMBL4331571)	Inhibition of human MAO-B preincubated for 15 mins followed by p-tyramine substrate addition and measured after 20 mins by Amplex red reagent based fluorescence assay
50007268	1	ChEMBL_1831631 (CHEMBL4331639)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50007269	1	ChEMBL_1831643 (CHEMBL4331651)	Inhibition of Plasmodium falciparum plasmepsin 1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured every min for 8 to 15 mins by FRET assay
50007269	2	ChEMBL_1831644 (CHEMBL4331652)	Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured every min for 8 to 15 mins by FRET assay
50007269	3	ChEMBL_1831639 (CHEMBL4331647)	Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured every min for 8 to 15 mins by FRET assay
50007269	4	ChEMBL_1831640 (CHEMBL4331648)	Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured every min for 8 to 15 mins by FRET assay
50007270	1	ChEMBL_1831747 (CHEMBL4331755)	Inhibition of TGFBR1 (unknown origin)
50007270	2	ChEMBL_1831743 (CHEMBL4331751)	Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFN-alpha stimulated TYK2 phosphorylation by caspase3/7 reagent-based Western blot analysis
50007270	3	ChEMBL_1831737 (CHEMBL4331745)	Inhibition of PI3Kdelta (unknown origin)
50007270	4	ChEMBL_1831736 (CHEMBL4331744)	Inhibition of PI3Kgamma (unknown origin)
50007270	5	ChEMBL_1831751 (CHEMBL4331759)	Inhibition of RON (unknown origin)
50007270	6	ChEMBL_1831730 (CHEMBL4331738)	Inhibition of PIM1 (unknown origin)
50007270	7	ChEMBL_1831734 (CHEMBL4331742)	Inhibition of human N-terminal His-tagged PI3Kalpha/p85alpha expressed in Spodoptera frugiperda using phosphatidylinositol as substrate
50007270	8	ChEMBL_1831728 (CHEMBL4331736)	Inhibition of MNK1 (unknown origin) expressed in HEK293 cells assessed as decrease in eIF4E phosphorylation at Ser209 residues by Western blot analysis
50007270	9	ChEMBL_1831729 (CHEMBL4331737)	Inhibition of MNK2 (unknown origin) expressed in HEK293 cells assessed as decrease in eIF4E phosphorylation at Ser209 residues by Western blot analysis
50007270	10	ChEMBL_1831750 (CHEMBL4331758)	Inhibition of IRAK4 (unknown origin)
50007270	11	ChEMBL_1831749 (CHEMBL4331757)	Inhibition of PIM3 (unknown origin)
50007270	12	ChEMBL_1831748 (CHEMBL4331756)	Inhibition of PIM2 (unknown origin)
50007270	13	ChEMBL_1831745 (CHEMBL4331753)	Inhibition of JAK2 in human Jurkat cells assessed as reduction in IFN-alpha stimulated JAK2 phosphorylation by caspase3/7 reagent-based Western blot analysis
50007270	14	ChEMBL_1831742 (CHEMBL4331750)	Inhibition of PI3Kbeta (unknown origin)
50007270	15	ChEMBL_1831741 (CHEMBL4331749)	Inhibition of PI3Kalpha (unknown origin)
50007270	16	ChEMBL_1831735 (CHEMBL4331743)	Inhibition of human full length recombinant N-terminal His-tagged PI3Kbeta/p85alpha expressed in baculovirus infected Sf21 insect cells
50007270	17	ChEMBL_1831746 (CHEMBL4331754)	Inhibition of JAK3 in human Jurkat cells assessed as reduction in IFN-alpha stimulated JAK3 phosphorylation by caspase3/7 reagent-based Western blot analysis
50007270	18	ChEMBL_1831744 (CHEMBL4331752)	Inhibition of JAK1 in human Jurkat cells assessed as reduction in IFN-alpha stimulated JAK1 phosphorylation by caspase3/7 reagent-based Western blot analysis
50007271	1	ChEMBL_1831752 (CHEMBL4331760)	Inhibition of recombinant full length human carbonic anhydrase-1 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007271	2	ChEMBL_1831753 (CHEMBL4331761)	Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007271	3	ChEMBL_1831755 (CHEMBL4331763)	Inhibition of human carbonic anhydrase-9 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007271	4	ChEMBL_1831757 (CHEMBL4331765)	Inhibition of human carbonic anhydrase-14 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007271	5	ChEMBL_1831754 (CHEMBL4331762)	Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007271	6	ChEMBL_1831756 (CHEMBL4331764)	Inhibition of human carbonic anhydrase-12 catalytic domain assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped flow assay
50007272	1	ChEMBL_1831770 (CHEMBL4331778)	Inhibition of human Nav1.8 expressed in HEK cells by patch-clamp electrophysiology method
50007272	2	ChEMBL_1831793 (CHEMBL4331801)	Inhibition of GABA receptor alpha1gamma2 (unknown origin)
50007272	3	ChEMBL_1831783 (CHEMBL4331791)	Inhibition of human Nav1.6
50007272	4	ChEMBL_1831791 (CHEMBL4331799)	Inhibition of T-type calcium channel (unknown origin)
50007272	5	ChEMBL_1831789 (CHEMBL4331797)	Inhibition of Kv1.2 (unknown origin)
50007272	6	ChEMBL_1831788 (CHEMBL4331796)	Inhibition of Kv1.1 (unknown origin)
50007272	7	ChEMBL_1831786 (CHEMBL4331794)	Inhibition of KvLQT1 (unknown origin)
50007272	8	ChEMBL_1831782 (CHEMBL4331790)	Inhibition of human Nav1.4
50007272	9	ChEMBL_1831781 (CHEMBL4331789)	Inhibition of human Nav1.3
50007272	10	ChEMBL_1831774 (CHEMBL4331782)	Inhibition of human ERG
50007272	11	ChEMBL_1831772 (CHEMBL4331780)	Inhibition of human Nav1.2
50007272	12	ChEMBL_1831771 (CHEMBL4331779)	Inhibition of human Nav1.1
50007272	13	ChEMBL_1831773 (CHEMBL4331781)	Inhibition of human Nav1.5
50007272	14	ChEMBL_1831792 (CHEMBL4331800)	Inhibition of L-type calcium channel (unknown origin)
50007272	15	ChEMBL_1831790 (CHEMBL4331798)	Inhibition of SK2 (unknown origin)
50007272	16	ChEMBL_1831784 (CHEMBL4331792)	Inhibition of human Nav1.7
50007272	17	ChEMBL_1831787 (CHEMBL4331795)	Inhibition of Kv1.5 (unknown origin)
50007273	1	ChEMBL_1831800 (CHEMBL4331808)	Activation of NRF2 in human U2OS cells co-expressing Keap1 assessed as induction of NRF2 translocation to nucleus after 6 hrs by beta-galactosidase based chemiluminescent assay
50007273	2	ChEMBL_1831814 (CHEMBL4331822)	Inhibition of human ERG after 4 hrs by fluorescence polarization assay
50007274	1	ChEMBL_1831845 (CHEMBL4331853)	Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction in binding to desialylated bovine submaxillary mucin after 1 hr by ELISA
50007274	2	ChEMBL_1831860 (CHEMBL4331868)	Binding affinity to Escherichia coli FmlH lectin domain
50007275	1	ChEMBL_1831892 (CHEMBL4331900)	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by radiometric assay
50007276	1	ChEMBL_1832017 (CHEMBL4332025)	Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin-Ahx-PPGDYSTTPGGTLFSTTPGGTRI peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of ATP by TR-FRET assay
50007276	2	ChEMBL_1832026 (CHEMBL4332034)	Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcription element assessed as reduction in MEF2 transcription by measuring luciferase signal after 16 hrs by luciferase reporter gene assay
50007276	3	ChEMBL_1832037 (CHEMBL4332045)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50007276	4	ChEMBL_1832034 (CHEMBL4332042)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50007276	5	ChEMBL_1832035 (CHEMBL4332043)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50007276	6	ChEMBL_1832036 (CHEMBL4332044)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50007276	7	ChEMBL_1832038 (CHEMBL4332046)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with compound and measured by LC-MS/MS analysis
50007276	8	ChEMBL_1832015 (CHEMBL4332023)	Inhibition of recombinant human ERG expressed in HEK293 cells at -80 mV holding potential by automated voltage-clamp assay
50007276	9	ChEMBL_1832016 (CHEMBL4332024)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50007278	1	ChEMBL_1832059 (CHEMBL4332067)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as intracellular cAMP accumulation after 30 mins by HTRF assay
50007278	2	ChEMBL_1832057 (CHEMBL4332065)	Inhibition of CYP2D6 (unknown origin)
50007278	3	ChEMBL_1832056 (CHEMBL4332064)	Inhibition of CYP1A2 (unknown origin)
50007278	4	ChEMBL_1832070 (CHEMBL4332078)	Inhibition of CYP2C8 (unknown origin)
50007278	5	ChEMBL_1832071 (CHEMBL4332079)	Inhibition of CYP2C19 (unknown origin)
50007278	6	ChEMBL_1832058 (CHEMBL4332066)	Inhibition of CYP3A4 (unknown origin)
50007278	7	ChEMBL_1832055 (CHEMBL4332063)	Inhibition of CYP2C9 (unknown origin)
50007280	1	ChEMBL_1832075 (CHEMBL4332083)	Induction of ERalpha degradation in human MCF7 cells in phenol red free RPMI medium containing 5% charcoal-stripped FBS incubated for 4 hrs by IRDye 800CW/DRAQ5 dye based in-cell Western assay
50007282	1	ChEMBL_1832094 (CHEMBL4332102)	Agonist activity at human PPARgamma
50007282	2	ChEMBL_1832093 (CHEMBL4332101)	Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing assay
50007282	3	ChEMBL_1832102 (CHEMBL4332110)	Binding affinity to PPARdelta (unknown origin) by TR-FRET competitive binding assay
50007282	4	ChEMBL_1832100 (CHEMBL4332108)	Binding affinity to PPARgamma (unknown origin) by TR-FRET competitive binding assay
50007282	5	ChEMBL_1832115 (CHEMBL4332123)	Inhibition of human ERG by automated patch clamp method
50007282	6	ChEMBL_1832101 (CHEMBL4332109)	Binding affinity to PPARalpha (unknown origin) by TR-FRET competitive binding assay
50007285	4	ChEMBL_1832149 (CHEMBL4332157)	Antagonist activity at PPARgamma (unknown origin)
50007285	6	ChEMBL_1832153 (CHEMBL4332161)	Antagonist activity at mouse PPARalpha
50007285	7	ChEMBL_1832155 (CHEMBL4332163)	Antagonist activity at mouse PPARgamma
50007285	8	ChEMBL_1832156 (CHEMBL4332164)	Antagonist activity at ERbeta receptor (unknown origin)
50007285	9	ChEMBL_1832158 (CHEMBL4332166)	Antagonist activity at thyroid hormone receptor (unknown origin)
50007285	10	ChEMBL_1832160 (CHEMBL4332168)	Inhibition of CYP3A4 (unknown origin)
50007285	11	ChEMBL_1832163 (CHEMBL4332171)	Inhibition of CYP2D6 (unknown origin)
50007285	12	ChEMBL_1832165 (CHEMBL4332173)	Inhibition of CYP1A2 (unknown origin)
50007285	13	ChEMBL_1832187 (CHEMBL4332195)	Agonist activity at human PPARalpha
50007285	14	ChEMBL_1832154 (CHEMBL4332162)	Antagonist activity at mouse PPARdelta
50007285	15	ChEMBL_1832157 (CHEMBL4332165)	Antagonist activity at glucocorticoid receptor (unknown origin)
50007285	16	ChEMBL_1832164 (CHEMBL4332172)	Inhibition of CYP2C19 (unknown origin)
50007285	17	ChEMBL_1832189 (CHEMBL4332197)	Antagonist activity at human PPARalpha
50007285	18	ChEMBL_1832152 (CHEMBL4332160)	Agonist activity at PPARgamma (unknown origin)
50007285	19	ChEMBL_1832159 (CHEMBL4332167)	Antagonist activity at retinoid X receptor (unknown origin)
50007285	20	ChEMBL_1832162 (CHEMBL4332170)	Inhibition of CYP2C9 (unknown origin)
50007285	21	ChEMBL_1832188 (CHEMBL4332196)	Agonist activity at human PPARdelta
50007287	1	ChEMBL_1832195 (CHEMBL4332203)	Inhibition of FAM-Bid peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay
50007287	2	ChEMBL_1832190 (CHEMBL4332198)	Inhibition of full length recombinant human C-terminal FLAG-tagged HDAC1 expressed in sf9 cells preincubated for 5 mins followed by biotinylated H3K9-Ac substrate addition and measured after 60 mins by HTRF assay
50007287	3	ChEMBL_1832191 (CHEMBL4332199)	Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells preincubated for 5 mins followed by biotinylated H3K9-Ac substrate addition and measured after 60 mins by HTRF assay
50007288	1	ChEMBL_1832204 (CHEMBL4332212)	Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA assay
50007288	2	ChEMBL_1832209 (CHEMBL4332217)	Inhibition of human ERG by patch clamp method
50007288	3	ChEMBL_1832206 (CHEMBL4332214)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay
50007288	4	ChEMBL_1832208 (CHEMBL4332216)	Inhibition of CYP3A4 (unknown origin)
50007288	5	ChEMBL_1832213 (CHEMBL4332221)	Inhibition of MIP1alpha-stimulated CCR1 internalization in human whole blood preincubated for 30 mins followed by MIP1alpha-stimulation and measured after 40 mins by Alexa647 staining based FACS analysis
50007288	6	ChEMBL_1832214 (CHEMBL4332222)	Antagonist activity at mouse CCR1 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA assay
50007289	1	ChEMBL_1832244 (CHEMBL4332252)	Agonist activity at human KISS1R expressed in CHO cells assessed as increase in calcium mobilization measured at 2 secs interval for 2 mins by fluo-4 NW dye based FLIPR assay
50007289	2	ChEMBL_1832255 (CHEMBL4332263)	Agonist activity at rat KISS1R
50007291	1	ChEMBL_1832266 (CHEMBL4332274)	Inhibition of recombinant human N-terminal GST-fused wild-type IDH2 using sodium (D)-isocitrate as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50007291	2	ChEMBL_1832263 (CHEMBL4332271)	Inhibition of recombinant human N-terminal GST-fused IDH1 R132C mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition
50007291	3	ChEMBL_1832264 (CHEMBL4332272)	Inhibition of recombinant human N-terminal GST-fused IDH1 R132L mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition
50007291	4	ChEMBL_1832261 (CHEMBL4332269)	Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincubated for 15 mins followed by substrate addition
50007291	5	ChEMBL_1832265 (CHEMBL4332273)	Inhibition of recombinant human N-terminal GST-fused wild-type IDH1 using sodium (D)-isocitrate as substrate by fluorescence assay
50007291	6	ChEMBL_1832268 (CHEMBL4332276)	Inhibition of recombinant human N-terminal GST-fused glucokinase expressed in Escherichia coli using glucose-6-phosphatedehydrogenase as substrate by spectrophotometric assay
50007292	1	ChEMBL_1832277 (CHEMBL4332285)	Inhibition of human A431 cell-derived EGFR using polyglutamic acid/tyrosine as substrate incubated for 10 mins followed by [32P]ATP addition and measured after 10 mins by beta counting method
50007292	2	ChEMBL_1832288 (CHEMBL4332296)	Inhibition of VEGFR3 (unknown origin)
50007292	3	ChEMBL_1832292 (CHEMBL4332300)	Inhibition of HDAC1 (unknown origin) using HDAC substrate by AFC probe based immunoprecipitation assay
50007292	4	ChEMBL_1832273 (CHEMBL4332281)	Inhibition of human A431 cell-derived EGFR using Lys-His-Lys-LysLeu-Ala-Glu-Gly-Ser-Ala-Tyr472-Glu-Glu-Val as substrate measured after 10 mins in presence of [32P]ATP by scintillation counting method
50007292	5	ChEMBL_1832275 (CHEMBL4332283)	Inhibition of human A431 cell-derived EGFR assessed as reduction in PGT phosphorylation after 8 mins by colorimetry based immunoassay
50007292	6	ChEMBL_1832276 (CHEMBL4332284)	Inhibition of EGF-induced EGFR phosphorylation at Tyr-residue in human HN5 cells preincubated for 24 hrs followed by EGF-stimulation and measured after 15 mins by Western blot analysis
50007292	7	ChEMBL_1832278 (CHEMBL4332286)	Inhibition of recombinant human His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in autophosphorylation preincubated for 10 mins followed by ATP-MgCl2 addition and measured after 1 hr by DELFIA/time-resolved fluorometric analysis
50007292	8	ChEMBL_1832279 (CHEMBL4332287)	Inhibition of B-Raf (unknown origin)
50007292	9	ChEMBL_1832280 (CHEMBL4332288)	Inhibition of VEGFR2 (unknown origin)
50007292	10	ChEMBL_1832282 (CHEMBL4332290)	Inhibition of recombinant human GST-fused B-Raf V600E mutant using MEK1 as substrate measured after 60 mins by HTRF assay
50007292	11	ChEMBL_1832286 (CHEMBL4332294)	Inhibition of VEGFR2 (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins
50007292	12	ChEMBL_1832287 (CHEMBL4332295)	Inhibition of VEGFR1 (unknown origin)
50007292	13	ChEMBL_1832289 (CHEMBL4332297)	Inhibition of human GST-fused EGFR kinase domain expressed in baculovirus expression system measured after 30 mins by ELISA
50007292	14	ChEMBL_1832290 (CHEMBL4332298)	Inhibition of human GST-fused HER2 kinase domain expressed in baculovirus expression system measured after 30 mins by ELISA
50007292	15	ChEMBL_1832291 (CHEMBL4332299)	Inhibition of recombinant human His6-tagged HER2 cytoplasmic domain (676 to 1245 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in autophosphorylation preincubated for 10 mins followed by ATP-MgCl2 addition and measured after 1 hr by DELFIA/time-resolved fluorometric analysis
50007292	16	ChEMBL_1832293 (CHEMBL4332301)	Inhibition of EGFR (unknown origin)
50007292	17	ChEMBL_1832274 (CHEMBL4332282)	Inhibition of human A431 cell-derived EGFR
50007292	18	ChEMBL_1832294 (CHEMBL4332302)	Inhibition of HER2 (unknown origin)
50007293	1	ChEMBL_1832319 (CHEMBL4332327)	Activation of firefly luciferase activity expressed in HEK293T cells after 6 hrs by luminescence assay
50007293	2	ChEMBL_1832318 (CHEMBL4332326)	Agonist activity at RFP-fused TrkA receptor (unknown origin) expressed in HEK293T cells after 6 hrs by luciferase reporter gene assay
50007293	3	ChEMBL_1832317 (CHEMBL4332325)	Agonist activity at EGFP-fused TrkB receptor (unknown origin) expressed in HEK293T cells after 6 hrs by luciferase reporter gene assay
50007294	1	ChEMBL_1832355 (CHEMBL4332363)	Inhibition of recombinant human GST-tagged EGFR catalytic domain (668 to 1210 residues) expressed in baculovirus expression system using TK-biotin peptide as substrate measured after 10 mins by HTRF assay
50007294	2	ChEMBL_1832356 (CHEMBL4332364)	Inhibition of recombinant human His-tagged HER2 catalytic domain (676 to 1255 residues) expressed in baculovirus expression system using TK-biotin peptide as substrate measured after 10 mins by HTRF assay
50007296	1	ChEMBL_1832380 (CHEMBL4332388)	Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA
50007297	1	ChEMBL_1832387 (CHEMBL4332395)	Inhibition of human p97 using ATP as substrate after 60 mins by ADP-Glo assay
50007300	1	ChEMBL_1832417 (CHEMBL4332425)	Binding affinity to CD81 (unknown origin) by surface plasmon resonance assay
50007300	2	ChEMBL_1832419 (CHEMBL4332427)	Binding affinity to CD81 (unknown origin) assessed as dissociation rate constant by surface plasmon resonance assay
50007300	3	ChEMBL_1832421 (CHEMBL4332429)	Binding affinity to CD81 (unknown origin) assessed as disruption of interaction between CD81 the HCV envelope protein E2 by measuring Kd for CD81/E2 interaction at 5 uM by surface plasmon resonance assay (Rvb = 1.3 nM)
50007301	1	ChEMBL_1832466 (CHEMBL4332474)	Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTRF assay
50007301	2	ChEMBL_1832482 (CHEMBL4332490)	Inhibition of BRD4 in human MM1S cells assessed as reduction in MYC transcription measured after 6 hrs
50007301	3	ChEMBL_1832467 (CHEMBL4332475)	Inhibition of biotin-labelled tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTRF assay
50007301	4	ChEMBL_1832511 (CHEMBL4332519)	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	5	ChEMBL_1832520 (CHEMBL4332528)	Binding affinity to BRD8 bromodomain 1 (unknown origin) after 1 hr by bromoscan assay
50007301	6	ChEMBL_1832530 (CHEMBL4332538)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	7	ChEMBL_1832539 (CHEMBL4332547)	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	8	ChEMBL_1832478 (CHEMBL4332486)	Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by HTRF assay
50007301	9	ChEMBL_1832479 (CHEMBL4332487)	Inhibition of Cy5-linked JQ1 probe binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain2 after 60 mins by HTRF assay
50007301	10	ChEMBL_1832504 (CHEMBL4332512)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	11	ChEMBL_1832506 (CHEMBL4332514)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	12	ChEMBL_1832507 (CHEMBL4332515)	Binding affinity to human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	13	ChEMBL_1832508 (CHEMBL4332516)	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	14	ChEMBL_1832512 (CHEMBL4332520)	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	15	ChEMBL_1832513 (CHEMBL4332521)	Binding affinity to BRD3 bromodomain 1/2 (unknown origin) after 1 hr by bromoscan assay
50007301	16	ChEMBL_1832515 (CHEMBL4332523)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	17	ChEMBL_1832517 (CHEMBL4332525)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	18	ChEMBL_1832519 (CHEMBL4332527)	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system after 1 hr by bromoscan assay
50007301	19	ChEMBL_1832522 (CHEMBL4332530)	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	20	ChEMBL_1832523 (CHEMBL4332531)	Binding affinity to human partial length BRDT bromodomain 1 isoform b (N21 to E137 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	21	ChEMBL_1832525 (CHEMBL4332533)	Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	22	ChEMBL_1832526 (CHEMBL4332534)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	23	ChEMBL_1832528 (CHEMBL4332536)	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	24	ChEMBL_1832532 (CHEMBL4332540)	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	25	ChEMBL_1832533 (CHEMBL4332541)	Binding affinity to human partial length PBRM1 bromodomain 1 (S178 to E291 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	26	ChEMBL_1832535 (CHEMBL4332543)	Binding affinity to human partial length PCAF (G715 to D831 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	27	ChEMBL_1832537 (CHEMBL4332545)	Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	28	ChEMBL_1832538 (CHEMBL4332546)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	29	ChEMBL_1832541 (CHEMBL4332549)	Binding affinity to human partial length TRIM24 (P790 to P977 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	30	ChEMBL_1832543 (CHEMBL4332551)	Binding affinity to human partial length WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	31	ChEMBL_1832480 (CHEMBL4332488)	Inhibition of tetra-acetylated Histone H4 peptide binding to recombinant human N-terminal TEV-cleavable hexa-histidine tagged BRD4 bromodomain1 after 60 mins by ALPHA screen assay
50007301	32	ChEMBL_1832510 (CHEMBL4332518)	Binding affinity to BRD2 bromodomain 1/2 (unknown origin) after 1 hr by bromoscan assay
50007301	33	ChEMBL_1832518 (CHEMBL4332526)	Binding affinity to full length BRD4 short isoform (unknown origin) after 1 hr by bromoscan assay
50007301	34	ChEMBL_1832527 (CHEMBL4332535)	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	35	ChEMBL_1832536 (CHEMBL4332544)	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	36	ChEMBL_1832509 (CHEMBL4332517)	Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	37	ChEMBL_1832514 (CHEMBL4332522)	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	38	ChEMBL_1832521 (CHEMBL4332529)	Binding affinity to BRD8 bromodomain 2 (unknown origin) after 1 hr by bromoscan assay
50007301	39	ChEMBL_1832524 (CHEMBL4332532)	Binding affinity to BRDT bromodomain 1/2 (unknown origin) after 1 hr by bromoscan assay
50007301	40	ChEMBL_1832531 (CHEMBL4332539)	Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	41	ChEMBL_1832534 (CHEMBL4332542)	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	42	ChEMBL_1832540 (CHEMBL4332548)	Binding affinity to TRIM24 bromodomain (unknown origin) after 1 hr by bromoscan assay
50007301	43	ChEMBL_1832505 (CHEMBL4332513)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	44	ChEMBL_1832516 (CHEMBL4332524)	Binding affinity to BRD4 bromodomain 1/2 (unknown origin) after 1 hr by bromoscan assay
50007301	45	ChEMBL_1832529 (CHEMBL4332537)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007301	46	ChEMBL_1832542 (CHEMBL4332550)	Binding affinity to human partial length TRIM33 PHD bromodomain (D882 to A1087 residues) expressed in bacterial expression system after 1 hr by bromoscan assay
50007303	1	ChEMBL_1832898 (CHEMBL4332906)	Displacement of [3H]-diprenorphine from mouse KOR expressed in CHO cell membranes by competitive radioligand binding assay
50007303	2	ChEMBL_1832897 (CHEMBL4332905)	Displacement of [3H]-naloxone from mouse MOR expressed in CHO cell membranes by competitive radioligand binding assay
50007303	3	ChEMBL_1832899 (CHEMBL4332907)	Displacement of [3H]-diprenorphine from mouse DOR expressed in CHO cell membranes by competitive radioligand binding assay
50007303	4	ChEMBL_1832902 (CHEMBL4332910)	Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins
50007304	1	ChEMBL_1832919 (CHEMBL4332927)	Inhibition of human N-terminal GST-tagged LSD1 isoform2 (158 to end residues) expressed in Escherichia coli using methylated peptide as substrate preincubated with substrate for 15 mins followed by enzyme addition and measured after 30 mins by amplex red and horseradish peroxidase based fluorescence assay
50007304	2	ChEMBL_1832922 (CHEMBL4332930)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using beetle luciferin as substrate after 1 hr by MAO-Glo assay
50007304	3	ChEMBL_1832923 (CHEMBL4332931)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using beetle luciferin as substrate after 1 hr by MAO-Glo assay
50007305	1	ChEMBL_1832932 (CHEMBL4332940)	Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labelled UT2 addition and measured after 90 mins by TRF assay
50007305	2	ChEMBL_1832933 (CHEMBL4332941)	Antagonist activity at human UT2 receptor expressed in HEK293-aeq cells assessed as inhibition of U2-induced intracellular calcium mobilization preincubated for 15 mins followed by U2 addition by luminescence assay
50007305	3	ChEMBL_1832936 (CHEMBL4332944)	Binding affinity to human ERG
50007306	1	ChEMBL_1832960 (CHEMBL4332968)	Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assay
50007306	2	ChEMBL_1832961 (CHEMBL4332969)	Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 1 mM ATP by HTRF assay
50007306	3	ChEMBL_1832970 (CHEMBL4332978)	Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL2-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL2 stimulation measured after 30 mins by Western blot analysis
50007306	4	ChEMBL_1832973 (CHEMBL4332981)	Inhibition of JAK3 in human CTLL2 cells assessed as reduction in IL15-induced STAT5 phosphorylation preincubated for 2 hrs followed by IL15 stimulation measured after 30 mins by Western blot analysis
50007309	1	ChEMBL_1833004 (CHEMBL4333012)	Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR chains preincubated for 1 hr followed by MMS addition and measured after 30 to 120 mins by Alexafluor 488-conjugated secondary antibody and Hoechst 33342 staining based assay
50007309	2	ChEMBL_1833003 (CHEMBL4333011)	Inhibition of recombinant full-length human C-terminal His6-tagged PARG (1 to 976 residues) expressed in Escherichia coli BL21 (DE3) cells using 6HIS-TEV-PARylated-PARP1 (2 to 1014 residues) as substrate measured after 10 mins by HTRF assay
50007310	1	ChEMBL_1833056 (CHEMBL4333064)	Inhibition of UGT1A1 in human liver microsomes assessed as reduction in SN-38 glucuronidation by tandem mass spectrometry analysis
50007310	2	ChEMBL_1833059 (CHEMBL4333067)	Inhibition of UGT2B7 in human liver microsomes assessed as reduction in naloxone 3-glucuronidation by tandem mass spectrometry analysis
50007310	3	ChEMBL_1833058 (CHEMBL4333066)	Inhibition of UGT1A9 in human liver microsomes assessed as reduction in mycophenolic acid glucuronidation by tandem mass spectrometry analysis
50007310	4	ChEMBL_1833057 (CHEMBL4333065)	Inhibition of UGT1A4 in human liver microsomes assessed as reduction in trifluoperazine N-glucuronidation by tandem mass spectrometry analysis
50007310	5	ChEMBL_1833053 (CHEMBL4333061)	Inhibition of CYP2C19 in human liver microsomes assessed as reduction in omeprazole hydroxylation by tandem mass spectrometry analysis
50007310	6	ChEMBL_1833052 (CHEMBL4333060)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in tolbutamide 4-hydroxylation by tandem mass spectrometry analysis
50007310	7	ChEMBL_1833040 (CHEMBL4333048)	Inhibition of PDK4 (unknown origin)
50007310	8	ChEMBL_1833054 (CHEMBL4333062)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextromethorphan O-demethylation by tandem mass spectrometry analysis
50007310	9	ChEMBL_1833055 (CHEMBL4333063)	Inhibition of CYP3A in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by tandem mass spectrometry analysis
50007310	10	ChEMBL_1833051 (CHEMBL4333059)	Inhibition of CYP1A2 in human liver microsomes assessed as reduction in phenacetin-O-deethylation by tandem mass spectrometry analysis
50007312	1	ChEMBL_1833165 (CHEMBL4333173)	Antagonist activity at NPFF1 receptor (unknown origin) expressed in HEK293A cells assessed as reversal of NPPF induced inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins
50007312	2	ChEMBL_1833162 (CHEMBL4333170)	Agonist activity at mu-opioid receptor (unknown origin) expressed in HEK293A cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins
50007312	3	ChEMBL_1833167 (CHEMBL4333175)	Agonist activity at NPFF2 receptor (unknown origin) expressed in HEK293A cells assessed as inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins
50007312	4	ChEMBL_1833163 (CHEMBL4333171)	Agonist activity at delta-opioid receptor (unknown origin) expressed in HEK293A cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins
50007312	5	ChEMBL_1833166 (CHEMBL4333174)	Antagonist activity at NPFF2 receptor (unknown origin) expressed in HEK293A cells assessed as reversal of NPPF induced inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins
50007312	6	ChEMBL_1833195 (CHEMBL4333203)	Agonist activity at NPFF1 receptor (unknown origin) expressed in HEK293A cells assessed as inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins
50007313	1	ChEMBL_1833197 (CHEMBL4333205)	Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculovirus infected Sf9 insect cells measured after 1 hr by TR-FRET assay
50007314	1	ChEMBL_1833218 (CHEMBL4333226)	Inhibition of PFKFB3 in human HCT116 cell lysates assessed as reduction in glycolytic-flux induced fructose-2,6-bisphosphate formation using fructose-6-phosphate as substrate treated with cells prior to glucose stimulation followed by PFK1 and substrate addition and measured at 0.5 mins interval for 45 mins
50007314	2	ChEMBL_1833217 (CHEMBL4333225)	Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-Glo assay
50007316	1	ChEMBL_1833221 (CHEMBL4333229)	Displacement of Ac-ARTEVHLRKS-(Ahx)-(Ahx)-K(5-FAM)-NH2 from recombinant full-length human N-terminal His6-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay
50007316	2	ChEMBL_1833233 (CHEMBL4333241)	Binding affinity to recombinant full-length human N-terminal His6-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50007316	3	ChEMBL_1833237 (CHEMBL4333245)	Displacement of 5-FAM labelled tracer from WDR5 (unknown origin) by fluorescence polarization assay
50007316	4	ChEMBL_1833236 (CHEMBL4333244)	Displacement of fluorescence-labelled Ac-ARA peptide from WDR5 (unknown origin) by fluorescence polarization assay
50007316	5	ChEMBL_1833226 (CHEMBL4333234)	Inhibition of G9a (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50007316	6	ChEMBL_1833224 (CHEMBL4333232)	Inhibition of PRMT1 (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50007316	7	ChEMBL_1833223 (CHEMBL4333231)	Inhibition of MLL2 (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50007316	8	ChEMBL_1833225 (CHEMBL4333233)	Inhibition of SETD1B (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50007318	1	ChEMBL_1833238 (CHEMBL4333246)	Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay
50007320	1	ChEMBL_1833687 (CHEMBL4333695)	Inhibition of CRAF (unknown origin)
50007320	2	ChEMBL_1833686 (CHEMBL4333694)	Inhibition of BRAF V600E mutant (unknown origin)
50007320	3	ChEMBL_1833690 (CHEMBL4333698)	Inhibition of wild-type BRAF (unknown origin)
50007321	1	ChEMBL_1833713 (CHEMBL4333721)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate by spectrophotometric method
50007321	2	ChEMBL_1833710 (CHEMBL4333718)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 3 mins followed by substrate addition and measured at 1 min for 10 mins
50007321	3	ChEMBL_1833714 (CHEMBL4333722)	Inhibition of xanthine oxidase (unknown origin)
50007322	1	ChEMBL_1833716 (CHEMBL4333724)	Inhibition of kinase tracer 236 binding to recombinant full length His-tagged human CDK8/CycC expressed in baculovirus expression system preincubated for 20 mins followed by tracer addition and measured after 2 hrs by FRET-based LanthaScreen Eu kinase binding assay
50007324	4	ChEMBL_1833771 (CHEMBL4333779)	Inhibition of human CYP450
50007325	1	ChEMBL_1833776 (CHEMBL4333784)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by scintillation counting method
50007325	2	ChEMBL_1833775 (CHEMBL4333783)	Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells after 3 hrs by scintillation counting method
50007325	3	ChEMBL_1833781 (CHEMBL4333789)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced increase in cAMP accumulation preincubated for 10 mins followed by NECA addition by GloSensor cAMP assay
50007325	4	ChEMBL_1833780 (CHEMBL4333788)	Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase in cAMP accumulation preincubated for 10 mins followed by NECA addition by GloSensor cAMP assay
50007325	5	ChEMBL_1833777 (CHEMBL4333785)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by scintillation counting method
50007326	1	ChEMBL_1833831 (CHEMBL4333839)	Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha protein level after 4 hrs by InCell Western assay
50007326	2	ChEMBL_1833862 (CHEMBL4333870)	Inhibition of dopamine transporter (unknown origin)
50007326	3	ChEMBL_1833859 (CHEMBL4333867)	Competitive inhibition of CYP3A4 (unknown origin)
50007326	4	ChEMBL_1833860 (CHEMBL4333868)	Inhibition of CYP2C8 (unknown origin)
50007326	5	ChEMBL_1833861 (CHEMBL4333869)	Inhibition of CYP2C9 (unknown origin)
50007326	6	ChEMBL_1833857 (CHEMBL4333865)	Competitive inhibition of CYP2C19 (unknown origin)
50007326	7	ChEMBL_1833856 (CHEMBL4333864)	Competitive inhibition of CYP1A2 (unknown origin)
50007326	8	ChEMBL_1833858 (CHEMBL4333866)	Competitive inhibition of CYP2D6 (unknown origin)
50007326	9	ChEMBL_1833863 (CHEMBL4333871)	Inhibition of human ERG by patch clamp method
50007327	1	ChEMBL_1834023 (CHEMBL4334031)	Binding affinity to PPARgamma (unknown origin) by TR-FRET assay
50007328	1	ChEMBL_1834094 (CHEMBL4334102)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced inward current at -60 mV holding potential preincubated for 1 min followed by ACh addition by two-microelectrode voltage clamp assay
50007330	1	ChEMBL_1834106 (CHEMBL4334114)	Inhibition of TNFalpha/IL-1beta-induced NFkB p65 translocation from cytosol to nucleus in mouse MIN6 cells after 30 mins by immunofluorescence based high content imaging analysis
50007331	1	ChEMBL_1834107 (CHEMBL4334115)	Inhibition of AChE (unknown origin) using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition measured every minute for 15 mins by Ellman's method
50007333	1	ChEMBL_1834120 (CHEMBL4334128)	Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by Ellman's method
50007333	2	ChEMBL_1834125 (CHEMBL4334133)	Inhibition of POP (unknown origin) using (Z)-Gly-Pro-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by spectrophotometric method
50007333	3	ChEMBL_1834123 (CHEMBL4334131)	Mixed-type inhibition of human BuChE assessed as enzyme-inhibitor complex using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50007333	4	ChEMBL_1834121 (CHEMBL4334129)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by Ellman's method
50007333	5	ChEMBL_1834124 (CHEMBL4334132)	Mixed-type inhibition of human BuChE assessed as enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50007333	6	ChEMBL_1834126 (CHEMBL4334134)	Inhibition of POP (unknown origin)
50007334	1	ChEMBL_1834172 (CHEMBL4334180)	Inhibition of human lysosomal alpha-glucosidase
50007337	1	ChEMBL_1834188 (CHEMBL4334196)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid production using xanthine as substrate after 10 mins by HPLC analysis
50007339	1	ChEMBL_1834270 (CHEMBL4334278)	Agonist activity at rat TRPV1 expressed in human SH-SY5Y cells assessed as intracellular calcium accumulation by Fluo-4 NW dye based fluorescence assay
50007339	2	ChEMBL_1834271 (CHEMBL4334279)	Antagonist activity at rat TRPV1 expressed in human SH-SY5Y cells assessed as reduction in capsaicin-induced intracellular calcium accumulation preincubated with cells followed by capsaicin addition by Fluo-4 NW dye based fluorescence assay
50007344	1	ChEMBL_1834272 (CHEMBL4334280)	Positive allosteric modulation of human mGluR3 expressed in HEK293 cells assessed as increase in glutamate-induced calcium mobilization preincubated for 10 mins followed by glutamate addition and measured for 3 mins by Fluo4-AM dye based FLIPR assay
50007347	1	ChEMBL_1834274 (CHEMBL4334282)	Inhibition of OGA in HEK293 cells assessed as increase in O-GlcNAcylated protein level by Hoechst staining based microscopic method
50007347	2	ChEMBL_1834273 (CHEMBL4334281)	Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured after 6 hrs by fluorescence assay
50007349	1	ChEMBL_1834275 (CHEMBL4334283)	Inhibition of recombinant wild-type GST-tagged LRRK2 (unknown origin) expressed in baculovirus expression system using fluorescein-labeled LRRKtide as substrate after 30 mins by Lanthascreen assay
50007349	2	ChEMBL_1834276 (CHEMBL4334284)	Inhibition of GST-tagged LRRK2 G2019S mutant (unknown origin) expressed in baculovirus expression system using fluorescein-labeled LRRKtide as substrate after 30 mins by Lanthascreen assay
50007352	1	ChEMBL_1834277 (CHEMBL4334285)	Inhibition of alpha-synuclein (unknown origin) self-aggregation by fluorescence polarization assay
50007354	1	ChEMBL_1834282 (CHEMBL4334290)	Binding affinity to C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain by SPR analysis
50007354	2	ChEMBL_1834283 (CHEMBL4334291)	Inhibition of C-terminal His6-tagged unlinked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC as substrate after 30 mins by fluorophotometric method
50007354	3	ChEMBL_1834285 (CHEMBL4334293)	Inhibition of C-terminal His6-tagged linked West Nile virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) preincubated for 15 mins followed by AbzGly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr substrate addition and measured for 15 mins by fluorescence method
50007354	4	ChEMBL_1834280 (CHEMBL4334288)	Non-competitive inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC as substrate after 30 mins by Cornish-Bowden plot analysis
50007354	5	ChEMBL_1834281 (CHEMBL4334289)	Inhibition of C-terminal His6-tagged linked Zika virus NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC as substrate after 30 mins by fluorophotometric method
50007354	6	ChEMBL_1834284 (CHEMBL4334292)	Inhibition of C-terminal His6-tagged linked Dengue virus serotype 2 NS2B-NS3 protease domain expressed in Escherichia coli Bl21(DE3) preincubated for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrate addition and measured for 15 mins by fluorescence method
50007356	1	ChEMBL_1834307 (CHEMBL4334315)	Inhibition of recombinant human N-terminal FLAG-tagged TET1 (1418 to 2136 residues) expressed in baculovirus infected sf9 cells assessed as reduction in oxidation of methylated dsDNA after 2 hrs by chemiluminescence assay
50007356	2	ChEMBL_1834308 (CHEMBL4334316)	Inhibition of recombinant human C-terminal His/N-terminal FLAG-tagged TET2 (1129 to 2002 residues) expressed in baculovirus infected sf9 cells assessed as reduction in oxidation of methylated dsDNA after 2 hrs by chemiluminescence assay
50007358	1	ChEMBL_1834351 (CHEMBL4334359)	Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	2	ChEMBL_1834345 (CHEMBL4334353)	Inhibition of wild-type HIV1 reverse transcriptase in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	3	ChEMBL_1834349 (CHEMBL4334357)	Inhibition of HIV1 reverse transcriptase V106M mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	4	ChEMBL_1834350 (CHEMBL4334358)	Inhibition of HIV1 reverse transcriptase G190A mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	5	ChEMBL_1834353 (CHEMBL4334361)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	6	ChEMBL_1834352 (CHEMBL4334360)	Inhibition of HIV1 reverse transcriptase Y188H mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	7	ChEMBL_1834348 (CHEMBL4334356)	Inhibition of HIV1 reverse transcriptase Y181C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007358	8	ChEMBL_1834347 (CHEMBL4334355)	Inhibition of HIV1 reverse transcriptase K103N mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infection after 48 hrs by Bright-Glo luciferase assay
50007359	1	ChEMBL_1834360 (CHEMBL4334368)	Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay
50007359	2	ChEMBL_1834359 (CHEMBL4334367)	Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay
50007359	3	ChEMBL_1834361 (CHEMBL4334369)	Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay
50007359	4	ChEMBL_1834373 (CHEMBL4334381)	Binding affinity to human RXRalpha LBD by ITC
50007360	1	ChEMBL_1834387 (CHEMBL4334395)	Inhibition of LEDGF/p75-independant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay
50007360	2	ChEMBL_1834391 (CHEMBL4334399)	Inhibition of biotinylated-TAR-RNA binding to HIV1 His6-tagged integrase expressed in Escherichia coli BL21(DE3) preincubated for 2 hrs followed by RNA addition and measured after 2 hrs by Alpha screen assay
50007360	3	ChEMBL_1834390 (CHEMBL4334398)	Induction of HIV1 His/FLAG-tagged integrase hyper-multimerization expressed in Escherichia coli BL21(DE3) by HTRF assay
50007360	4	ChEMBL_1834389 (CHEMBL4334397)	Inhibition of LEDGF/p75 binding to HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay
50007360	5	ChEMBL_1834388 (CHEMBL4334396)	Inhibition of LEDGF/p75-dependant HIV1 His/FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) by HTRF assay
50007364	1	ChEMBL_1834730 (CHEMBL4334863)	Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50007364	2	ChEMBL_1834731 (CHEMBL4334864)	Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay
50007364	3	ChEMBL_1834732 (CHEMBL4334865)	Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay
50007364	4	ChEMBL_1834733 (CHEMBL4334866)	Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay
50007365	1	ChEMBL_1834781 (CHEMBL4334914)	Inhibition of human GSK-3beta H350L mutant (2 to end residues) at 10 uM using phospho GS2 peptide as substrate after 40 mins by [gamma-33ATP] radiometric assay
50007365	2	ChEMBL_1834775 (CHEMBL4334908)	Inhibition of human GSK-3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured in presence of [gamma-33P]ATP by radiometric assay
50007365	3	ChEMBL_1834779 (CHEMBL4334912)	Inhibition of human GSK-3alpha S449A mutant (2 to end residues) using phospho GS2 peptide as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting method
50007365	4	ChEMBL_1834774 (CHEMBL4334907)	Inhibition of human GSK-3alpha using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured in presence of [gamma-33P]ATP by radiometric assay
50007365	5	ChEMBL_1834777 (CHEMBL4334910)	Inhibition of human GSK-3beta by mobility shift micro-fluidic assay
50007365	6	ChEMBL_1834776 (CHEMBL4334909)	Inhibition of human GSK-3alpha by mobility shift micro-fluidic assay
50007366	1	ChEMBL_1835547 (CHEMBL4335680)	Inhibition of TNF alpha stimulated NF-KappaB p65 in human HeLa nuclear extract assessed as decrease in NF-KappaB translocation to nucleus measured after 5 hrs by ELISA
50007368	1	ChEMBL_1835584 (CHEMBL4335717)	Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based spectrophotometric method
50007369	1	ChEMBL_1835637 (CHEMBL4335770)	Reversible inhibition of FAM-labeled peptide binding to full-length human N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus infected Sf21 insect cells at preincubated for 10 mins followed by FAM-labeled peptide addition and measured by off-chip mobility shift assay
50007369	2	ChEMBL_1835633 (CHEMBL4335766)	Reversible inhibition of sodium orthovanadate-stimulated BTK autophosphorylation at Tyr223 residues in human Ramos cells preincubated for 2 hrs followed by sodium orthovanadate addition and measured after 15 mins by Western blot analysis
50007369	3	ChEMBL_1835640 (CHEMBL4335773)	Inhibition of recombinant human N-terminal GST-fused TEC catalytic domain (359 to 631 residues) expressed in baculovirus expression system using biotin-labelled STK/TK as substrate measured after 1 hr by HTRF assay
50007369	4	ChEMBL_1835641 (CHEMBL4335774)	Inhibition of recombinant human ITK (352 to 617 residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50007369	5	ChEMBL_1835643 (CHEMBL4335776)	Inhibition of recombinant full-length human SRC using KVEKIGEGTYGVVYK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50007369	6	ChEMBL_1835645 (CHEMBL4335778)	Inhibition of human full-length recombinant YES using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50007369	7	ChEMBL_1835638 (CHEMBL4335771)	Reversible inhibition of FAM-labeled peptide binding to full-length human N-terminal GST-tagged BTK C481S mutant (2 to 659 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 10 mins followed by FAM-labeled peptide addition and measured by off-chip mobility shift assay
50007369	8	ChEMBL_1835644 (CHEMBL4335777)	Inhibition of human full-length recombinant FYN using KVEKIGEGTYGVVYK as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50007369	9	ChEMBL_1835639 (CHEMBL4335772)	Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Z'-lyte-labelled tyr-4 peptide as substrate measured after 1 hr by FRET assay
50007370	1	ChEMBL_1835666 (CHEMBL4335799)	Inhibition of rabbit skeletal muscle alpha-actin polymerization measured after 24 hrs in presence of ATP and fluorescent pyrene-labelled actin by fluorescence based assay
50007371	1	ChEMBL_1835740 (CHEMBL4335873)	Inhibition of bovine liver DHFR using FH2 as substrate incubated for 2 mins followed by substrate addition
50007373	1	ChEMBL_1835833 (CHEMBL4335966)	Binding affinity to GLUT1 in human L02 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	2	ChEMBL_1835839 (CHEMBL4335972)	Binding affinity to GLUT1 in human PC3 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	3	ChEMBL_1835836 (CHEMBL4335969)	Binding affinity to GLUT1 in human NCI-H460 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	4	ChEMBL_1835834 (CHEMBL4335967)	Binding affinity to GLUT1 in human MDA-MB-231 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	5	ChEMBL_1835835 (CHEMBL4335968)	Binding affinity to GLUT1 in human A549 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	6	ChEMBL_1835837 (CHEMBL4335970)	Binding affinity to GLUT1 in human NCI-H1437 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007373	7	ChEMBL_1835838 (CHEMBL4335971)	Binding affinity to GLUT1 in human HGC27 cells assessed as cytotoxicity by measuring reduction in cell viability measured after 24 hrs by CCK8 assay
50007376	1	ChEMBL_1835913 (CHEMBL4336046)	Antagonist activity at human AChR alpha3beta4 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated for 1 hr by fluo-4 dye based assay
50007376	2	ChEMBL_1835914 (CHEMBL4336047)	Antagonist activity at human AChR alpha4beta2 transfected in human HEK293 cells assessed as decrease in epibatidine-induced calcium influx incubated for 1 hr by fluo-4 dye based assay
50007376	3	ChEMBL_1835915 (CHEMBL4336048)	Antagonist activity at human AChR alpha7 transfected in rat GH3 cells assessed as decrease in epibatidine-induced calcium influx incubated for 1 hr by fluo-4 dye based assay
50007379	1	ChEMBL_1836066 (CHEMBL4336199)	Inhibition of recombinant human MARK4 incubated for 2 hrs by [gamma32P]ATP assay
50007380	1	ChEMBL_1836298 (CHEMBL4336431)	Inhibition of Mcl1 (unknown origin) by TR-FRET assay
50007380	2	ChEMBL_1836301 (CHEMBL4336434)	Binding affinity to Mcl1 (unknown origin) by SPR assay
50007380	3	ChEMBL_1836300 (CHEMBL4336433)	Inhibition of Bcl6 (unknown origin) by TR-FRET assay
50007380	4	ChEMBL_1836305 (CHEMBL4336438)	Binding affinity to Bcl6 (unknown origin) by SPR assay
50007384	1	ChEMBL_1836507 (CHEMBL4336640)	Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as substrate measured after 60 mins by fluorescence assay
50007384	2	ChEMBL_1836524 (CHEMBL4336657)	Inhibition of Influenza A virus CEN
50007384	3	ChEMBL_1836508 (CHEMBL4336641)	Binding affinity to Influenza A virus CEN expressed in Escherichia coli by isothermal titration calorimetry
50007385	1	ChEMBL_1836620 (CHEMBL4336753)	Inhibition of recombinant human POP assessed as affinity constant of second step of inhibition pre-incubated for 2 hrs before addition of ZGP-pNA substrate and measured every 30 secs for first 60 mins followed by every 2 mins for next 5 hrs by dilution assay
50007385	2	ChEMBL_1836618 (CHEMBL4336751)	Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay
50007385	3	ChEMBL_1836616 (CHEMBL4336749)	Inhibition of FAP (unknown origin)
50007385	4	ChEMBL_1836626 (CHEMBL4336759)	Inhibition of recombinant human POP pre-incubated for 2 hrs before addition of ZGP-pNA substrate by absorbance assay
50007385	5	ChEMBL_1836619 (CHEMBL4336752)	Inhibition of recombinant human POP assessed as affinity constant of first step of the binding event pre-incubated for 2 hrs before addition of ZGP-pNA substrate and measured every 30 secs for first 60 mins followed by every 2 mins for next 5 hrs by dilution assay
50007385	6	ChEMBL_1836617 (CHEMBL4336750)	Inhibition of DPP4 (unknown origin)
50007385	7	ChEMBL_1836615 (CHEMBL4336748)	Inhibition of POP (unknown origin)
50007386	1	ChEMBL_1836630 (CHEMBL4336763)	Inhibition of CK2alpha (unknown origin) using RRRADDSDDDDD as substrate in presence of [gamma33P]-ATP by autoradiography
50007386	2	ChEMBL_1836631 (CHEMBL4336764)	Inhibition of CK2alpha in human PLC1 cells using (Arg)3(Glu)3Thr(Glu)3 as substrate after 24 hrs in presence of [32P]gammaGTP
50007386	3	ChEMBL_1836638 (CHEMBL4336771)	Inhibition of human CK1delta in presence of [gamma33P]-ATP
50007386	4	ChEMBL_1836632 (CHEMBL4336765)	Inhibition of CK2alpha (unknown origin)
50007386	5	ChEMBL_1836636 (CHEMBL4336769)	Inhibition of human CK1 in presence of [gamma33P]-ATP
50007386	6	ChEMBL_1836634 (CHEMBL4336767)	Inhibition of CK1alpha (unknown origin)
50007386	7	ChEMBL_1836637 (CHEMBL4336770)	Inhibition of human CK1epsilon in presence of [gamma33P]-ATP
50007386	8	ChEMBL_1836633 (CHEMBL4336766)	Inhibition of CK1 (unknown origin)
50007386	9	ChEMBL_1836635 (CHEMBL4336768)	Inhibition of CK1delta/CK1epsilon (unknown origin)
50007388	1	ChEMBL_1837058 (CHEMBL4337191)	Binding affinity to recombinant human LATS1 (Q678 to V1130 residues) expressed in bacterial expression system assessed as dissociation constant by Kinomescan method
50007388	2	ChEMBL_1837060 (CHEMBL4337193)	Inhibition of recombinant full-length human MST1 assessed as residual activity using KKSRGDYMTMQIG as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50007388	3	ChEMBL_1837061 (CHEMBL4337194)	Inhibition of recombinant human MST2 (2 to end residues) assessed as residual activity using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50007388	4	ChEMBL_1837059 (CHEMBL4337192)	Binding affinity to wild-type human partial length LATS2 (Q641 to V1088 residues) expressed in mammalian expression system assessed as dissociation constant by Kinomescan method
50007389	1	ChEMBL_1837065 (CHEMBL4337198)	Inhibition of human histamine H3 receptor
50007389	2	ChEMBL_1837079 (CHEMBL4337212)	Inhibition of M1R (unknown origin)
50007389	3	ChEMBL_1837093 (CHEMBL4337226)	Inhibition of COX2 in lympho-monocytes (unknown origin) preincubated for 30 mins followed by LPS challenged measured after 24 hrs by EIA
50007389	4	ChEMBL_1837078 (CHEMBL4337211)	Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential by two-electrode voltage-clamp technique
50007389	5	ChEMBL_1837072 (CHEMBL4337205)	Inhibition of human BChE
50007389	6	ChEMBL_1837068 (CHEMBL4337201)	Inhibition of human AChE
50007389	7	ChEMBL_1837070 (CHEMBL4337203)	Inhibition of human MAOA
50007389	8	ChEMBL_1837074 (CHEMBL4337207)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins
50007389	9	ChEMBL_1837075 (CHEMBL4337208)	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins
50007389	10	ChEMBL_1837064 (CHEMBL4337197)	Inhibition of BACE1 (unknown origin) using EVNLDAEF as substrate by fluorescence assay
50007389	11	ChEMBL_1837082 (CHEMBL4337215)	Agonist activity at mouse 5-HT1A expressed in HEK293 cells after 2 to 5 mins
50007389	12	ChEMBL_1837089 (CHEMBL4337222)	Inhibition of TRPV1 (unknown origin)
50007389	13	ChEMBL_1837073 (CHEMBL4337206)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in CHOK1 cells measured after 60 mins by microbeta scintillation counting method
50007389	14	ChEMBL_1837069 (CHEMBL4337202)	Inhibition of equine BChE
50007389	15	ChEMBL_1837088 (CHEMBL4337221)	Inhibition of MOR (unknown origin)
50007389	16	ChEMBL_1837084 (CHEMBL4337217)	Inhibition of rat BChE
50007389	17	ChEMBL_1837071 (CHEMBL4337204)	Inhibition of human MAOB
50007389	18	ChEMBL_1837087 (CHEMBL4337220)	Inhibition of MAGL (unknown origin)
50007389	19	ChEMBL_1837083 (CHEMBL4337216)	Inhibition of rat AChE
50007389	20	ChEMBL_1837086 (CHEMBL4337219)	Inhibition of FAAH (unknown origin)
50007389	21	ChEMBL_1837092 (CHEMBL4337225)	Inhibition of COX1 in human platelets after 30 mins by mass spectrometry analysis
50007389	22	ChEMBL_1837066 (CHEMBL4337199)	Inhibition of electric eel AChE
50007389	23	ChEMBL_1837081 (CHEMBL4337214)	Inhibition of alpha4beta2 nAChR (unknown origin)
50007389	24	ChEMBL_1837080 (CHEMBL4337213)	Inhibition of alpha7 nAChR (unknown origin)
50007389	25	ChEMBL_1837090 (CHEMBL4337223)	Inhibition of ovine COX1
50007389	26	ChEMBL_1837091 (CHEMBL4337224)	Inhibition of ovine COX2
50007389	27	ChEMBL_1837085 (CHEMBL4337218)	Inhibition of 5HTT (unknown origin)
50007390	1	ChEMBL_1837116 (CHEMBL4337249)	Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (DE3) assessed as reduction in urea production using L-arginine as substrate in presence of MnSO4 incubated for 60 mins by o-phthaldialdehyde/N-(1-naphthyl)ethylene-diamine dihydrochloride reagent based colorimetric assay
50007391	1	ChEMBL_1837171 (CHEMBL4337304)	Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50007391	2	ChEMBL_1837173 (CHEMBL4337306)	Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50007391	3	ChEMBL_1837183 (CHEMBL4337316)	Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cells after 90 mins by scintillation counting method
50007391	4	ChEMBL_1837184 (CHEMBL4337317)	Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method
50007394	1	ChEMBL_1837194 (CHEMBL4337327)	Induction of STING in human PBMC assessed as increase in IFNbeta secretion
50007394	2	ChEMBL_1837195 (CHEMBL4337328)	Induction of TBK1 in human PBMC assessed as increase in cGAMP secretion
50007396	1	ChEMBL_1837226 (CHEMBL4337359)	Inhibition of P38alpha MAPK (unknown origin)
50007396	2	ChEMBL_1837227 (CHEMBL4337360)	Binding affinity to P38alpha MAPK (unknown origin) assessed as dissociation constant
50007396	3	ChEMBL_1837206 (CHEMBL4337339)	Inhibition of recombinant human full-length N-terminal GST-tagged P38 alpha MAPK expressed in baculovirus infected Sf9 insect cells using p38 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50007396	4	ChEMBL_1837222 (CHEMBL4337355)	Inhibition of full-length N-terminal GST-tagged human P38beta (1 to 364 residues) expressed in Escherichia coli using propeptide-8 as substrate after 90 mins by caliper based analysis
50007397	1	ChEMBL_1837233 (CHEMBL4337366)	Inhibition of Pseudomonas aeruginosa LecB by fluorescence polarization assay
50007398	1	ChEMBL_1837265 (CHEMBL4337398)	Agonist activity at human H4R expressed in HEK293-SF-hH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay
50007398	2	ChEMBL_1837259 (CHEMBL4337392)	Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay
50007398	3	ChEMBL_1837260 (CHEMBL4337393)	Displacement of 5 nM [3H-pyrilamine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 by competition binding assay
50007398	4	ChEMBL_1837267 (CHEMBL4337400)	Agonist activity at human H4R expressed in HEK293T-beta-arr2-hH4R cells by beta-arrestin2 recruitment assay
50007398	5	ChEMBL_1837279 (CHEMBL4337412)	Binding affinity to mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells by saturation binding study
50007398	6	ChEMBL_1837269 (CHEMBL4337402)	Agonist activity at mouse H4R expressed in HEK293-SF-mH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay
50007398	7	ChEMBL_1837273 (CHEMBL4337406)	Agonist activity at rat H4R expressed in HEK293-SF-rH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay
50007398	8	ChEMBL_1837250 (CHEMBL4337383)	Agonist activity at mouse H4R by [35S]-GTPgammaS-binding assay
50007398	9	ChEMBL_1837258 (CHEMBL4337391)	Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay
50007398	10	ChEMBL_1837256 (CHEMBL4337389)	Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay
50007398	11	ChEMBL_1837245 (CHEMBL4337378)	Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay
50007398	12	ChEMBL_1837318 (CHEMBL4337451)	Agonist activity at mouse H4R expressed in HEK293T cells by CRE-luciferase reporter gene assay
50007398	13	ChEMBL_1837280 (CHEMBL4337413)	Binding affinity to rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells by saturation binding study
50007398	14	ChEMBL_1837281 (CHEMBL4337414)	Binding affinity to human H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as equilibrium dissociation constant by saturation binding study
50007398	15	ChEMBL_1837282 (CHEMBL4337415)	Binding affinity to mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as equilibrium dissociation constant by saturation binding study
50007398	16	ChEMBL_1837284 (CHEMBL4337417)	Binding affinity to human H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as kinetically derived dissociation constant by saturation binding study
50007398	17	ChEMBL_1837285 (CHEMBL4337418)	Binding affinity to mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as kinetically derived dissociation constant by saturation binding study
50007398	18	ChEMBL_1837305 (CHEMBL4337438)	Displacement of [3H]-UR-DEBa176 from human H4R expressed in HEK293T-SF-His6-CRE-Luc cells
50007398	19	ChEMBL_1837306 (CHEMBL4337439)	Displacement of [3H]-UR-DEBa176 from mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells
50007398	20	ChEMBL_1837307 (CHEMBL4337440)	Displacement of [3H]-UR-DEBa176 from rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells
50007398	21	ChEMBL_1837311 (CHEMBL4337444)	Displacement of [3H]UR-PI294 from human H3R expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2
50007398	22	ChEMBL_1837313 (CHEMBL4337446)	Displacement of [3H]UR-PI294 from human H3R expressed in human SK-N-MC-cells
50007398	23	ChEMBL_1837315 (CHEMBL4337448)	Displacement of [3H]UR-PI294 from human H3R expressed in HEK293T cells
50007398	24	ChEMBL_1837322 (CHEMBL4337455)	Agonist activity at rat H4R expressed in in HEK293T cells by CRE-luciferase reporter gene assay
50007398	25	ChEMBL_1837324 (CHEMBL4337457)	Binding affinity to human H4R expressed in HEK293T-SF-His6-CRE-Luc cells by kinetic binding study
50007398	26	ChEMBL_1837246 (CHEMBL4337379)	Binding affinity to human H4R
50007398	27	ChEMBL_1837247 (CHEMBL4337380)	Binding affinity to mouse H4R
50007398	28	ChEMBL_1837248 (CHEMBL4337381)	Binding affinity to rat H4R
50007398	29	ChEMBL_1837249 (CHEMBL4337382)	Agonist activity at human H4R by [35S]-GTPgammaS-binding assay
50007398	30	ChEMBL_1837251 (CHEMBL4337384)	Agonist activity at rat H4R by [35S]-GTPgammaS-binding assay
50007398	31	ChEMBL_1837257 (CHEMBL4337390)	Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay
50007398	32	ChEMBL_1837271 (CHEMBL4337404)	Agonist activity at mouse H4R expressed in HEK293T-beta-arr2-mH4R cells by beta-arrestin2 recruitment assay
50007398	33	ChEMBL_1837275 (CHEMBL4337408)	Agonist activity at rat H4R expressed in HEK293T-beta-arr2-rH4R cells by beta-arrestin2 recruitment assay
50007398	34	ChEMBL_1837312 (CHEMBL4337445)	Displacement of [3H]histamine from human H3R expressed in human SK-N-MC-cells
50007398	35	ChEMBL_1837326 (CHEMBL4337459)	Binding affinity to rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells by kinetic binding study
50007398	36	ChEMBL_1837278 (CHEMBL4337411)	Binding affinity to human H4R expressed in HEK293T-SF-His6-CRE-Luc cells by saturation binding study
50007398	37	ChEMBL_1837283 (CHEMBL4337416)	Binding affinity to rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as equilibrium dissociation constant by saturation binding study
50007398	38	ChEMBL_1837286 (CHEMBL4337419)	Binding affinity to rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells assessed as kinetically derived dissociation constant by saturation binding study
50007398	39	ChEMBL_1837310 (CHEMBL4337443)	Displacement of [3H]histamine from human H3R expressed in Sf9 cells co-expressing Galpha1 and Gbeta1gamma2
50007398	40	ChEMBL_1837320 (CHEMBL4337453)	Agonist activity at rat H4R expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 by [35S]-GTPgammaS-binding assay
50007398	41	ChEMBL_1837309 (CHEMBL4337442)	Displacement of [3H]histamine from human H3R expressed in Sf9 cells co-expressing RGS19 and Galpha1 and Gbeta1gamma2
50007398	42	ChEMBL_1837325 (CHEMBL4337458)	Binding affinity to mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells by kinetic binding study
50007398	43	ChEMBL_1837308 (CHEMBL4337441)	Displacement of [3H]UR-PI294 from human H3R expressed in Sf9 cells co-expressing RGS19 and Galphai2 and Gbeta1gamma2
50007398	44	ChEMBL_1837314 (CHEMBL4337447)	Displacement of [3H]histamine from human H3R expressed in HEK293T cells
50007398	45	ChEMBL_1837316 (CHEMBL4337449)	Agonist activity at mouse H4R expressed in Sf9 cells by [35S]-GTPgammaS-binding assay
50007399	1	ChEMBL_1837344 (CHEMBL4337477)	Inhibition of EGFR (unknown origin)
50007404	1	ChEMBL_1837351 (CHEMBL4337484)	Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay
50007404	2	ChEMBL_1837348 (CHEMBL4337481)	Agonist activity at mouse MRGPRC11
50007404	3	ChEMBL_1837347 (CHEMBL4337480)	Agonist activity at rat MRGPRC
50007404	4	ChEMBL_1837355 (CHEMBL4337488)	Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50007404	5	ChEMBL_1837356 (CHEMBL4337489)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50007404	6	ChEMBL_1837357 (CHEMBL4337490)	Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method
50007404	7	ChEMBL_1837345 (CHEMBL4337478)	Agonist activity at human MrgprX1
50007405	1	ChEMBL_1837437 (CHEMBL4337570)	Inhibition of HDAC1/2 (unknown origin)
50007405	2	ChEMBL_1837438 (CHEMBL4337571)	Inhibition of HDAC8 (unknown origin)
50007406	1	ChEMBL_1837506 (CHEMBL4337639)	Inhibition of human DNA ligase 1
50007406	2	ChEMBL_1837502 (CHEMBL4337635)	Inhibition of human DNA ligase 1 expressed in Escherichia coli BL21 (DE3) cells using nicked DNA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr
50007406	3	ChEMBL_1837481 (CHEMBL4337614)	Competitive inhibition of human DNA ligase 3 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay
50007406	4	ChEMBL_1837483 (CHEMBL4337616)	Uncompetitive inhibition of human DNA ligase 1 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay
50007406	5	ChEMBL_1837490 (CHEMBL4337623)	Inhibition of human DNA ligase 1 using 52-mer DNA/25-mer DNA/27-mer DNA as substrate
50007406	6	ChEMBL_1837505 (CHEMBL4337638)	Inhibition of human DNA ligase 1 using 52-mer DNA/25-mer DNA/27-mer DNA as substrate by fluorescence assay
50007406	7	ChEMBL_1837480 (CHEMBL4337613)	Competitive inhibition of human DNA ligase 1 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay
50007406	8	ChEMBL_1837482 (CHEMBL4337615)	Competitive inhibition of human DNA ligase 4 using nicked DNA as substrate by high-throughput fluorescence energy transfer-based DNA joining assay
50007411	1	ChEMBL_1837507 (CHEMBL4337640)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells after 6 hrs by luciferase assay
50007411	2	ChEMBL_1837520 (CHEMBL4337653)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 2:1 compound to HP23 ratio incubated for 6 hrs by luciferase reporter gene assay
50007411	3	ChEMBL_1837519 (CHEMBL4337652)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 4:1 compound to HP23 ratio incubated for 6 hrs by luciferase reporter gene assay
50007411	4	ChEMBL_1837525 (CHEMBL4337658)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 4:1 ratio of hCS6ERE to compound incubated for 6 hrs by luciferase reporter gene assay
50007411	5	ChEMBL_1837526 (CHEMBL4337659)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 2:1 ratio of hCS6ERE to compound incubated for 6 hrs by luciferase reporter gene assay
50007411	6	ChEMBL_1837521 (CHEMBL4337654)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 1:1 compound to HP23 ratio incubated for 6 hrs by luciferase reporter gene assay
50007411	7	ChEMBL_1837527 (CHEMBL4337660)	Inhibition of HIV1 gp41-induced cell-cell fusion between viral envelope expressing human HL2/3 cells to CD4/CCR5 receptor expressing TZM-bl cells at 1:1 ratio of hCS6ERE to compound incubated for 6 hrs by luciferase reporter gene assay
50007412	1	ChEMBL_1837633 (CHEMBL4337766)	Inhibition of human VEGFR3 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay
50007412	2	ChEMBL_1837632 (CHEMBL4337765)	Inhibition of human FLT3 using EAIYAAPFAKKK substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay
50007412	3	ChEMBL_1837631 (CHEMBL4337764)	Inhibition of human VEGFR2 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay
50007412	4	ChEMBL_1837636 (CHEMBL4337769)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay
50007412	5	ChEMBL_1837637 (CHEMBL4337770)	Inhibition of human VEGFR1 using poly[Glu:Tyr] (4:1) substrate and [gamma-33P]-ATP by radiometric biochemical kinase assay
50007415	1	ChEMBL_1837711 (CHEMBL4337844)	Positive allosteric modulator activity at human D1 receptor stably expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP accumulation incubated for 60 mins by HTRF assay
50007415	2	ChEMBL_1837718 (CHEMBL4337851)	Positive allosteric modulator activity at human D5 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP accumulation incubated for 60 mins by HTRF assay
50007415	3	ChEMBL_1837707 (CHEMBL4337840)	Agonist activity at human D1 receptor stably expressed in HEK293 cells assessed as induction of cAMP accumulation incubated for 60 mins by HTRF assay
50007415	4	ChEMBL_1837704 (CHEMBL4337837)	Positive allosteric modulator activity at human D1 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP accumulation incubated for 60 mins by HTRF assay
50007415	5	ChEMBL_1837714 (CHEMBL4337847)	Positive allosteric modulator activity at mouse D1 receptor transiently expressed in HEK293 cells assessed as potentiation of EC20 dopamine-induced cAMP accumulation incubated for 60 mins by HTRF assay
50007415	6	ChEMBL_1837724 (CHEMBL4337857)	Binding affinity to 5-HT1A receptor (unknown origin) by radioligand displacement assay
50007416	1	ChEMBL_1837761 (CHEMBL4337894)	Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured over 45 mins by fluorescence based assay
50007419	1	ChEMBL_1837788 (CHEMBL4337921)	Allosteric inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition of GPP and [14C]-IPP by scintillation counting method
50007419	2	ChEMBL_1837787 (CHEMBL4337920)	Inhibition of N-terminal His-tagged human FPPS (1 to 353 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition of GPP and [14C]-IPP by scintillation counting method
50007420	1	ChEMBL_1837826 (CHEMBL4337959)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by SPR assay
50007420	2	ChEMBL_1837829 (CHEMBL4337962)	Inhibition of human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS pre-incubated for 10 mins before glutamine addition and measured after 60 mins by bovine liver glutamate dehydrogenase based coupled enzyme assay
50007420	3	ChEMBL_1837827 (CHEMBL4337960)	Inhibition of N-[2-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-yl)carbamothioylamino]ethyl]-N'-[6-[4-[5-[[2-(2-pyridyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]pentanediamide binding to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by fluorescence polarization binding assay
50007420	4	ChEMBL_1837825 (CHEMBL4337958)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3)pLysS by fluorescence polarization binding assay
50007420	5	ChEMBL_1837822 (CHEMBL4337955)	Inhibition of human GLS1 assessed as reduction in glutamate production in presence of NADPH-dependent glutamate dehydrogenase by coupled biochemical assay
50007420	6	ChEMBL_1837821 (CHEMBL4337954)	Inhibition of rat kidney type GLS1
50007421	1	ChEMBL_1837839 (CHEMBL4337972)	Inhibition of HIV1 protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 peptide as substrate by FRET assay
50007423	1	ChEMBL_1837842 (CHEMBL4337975)	Inhibition of human topoisomerase 2alpha-mediated relaxation of supercoiled pSG483 DNA after 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50007423	2	ChEMBL_1837843 (CHEMBL4337976)	Inhibition of human topoisomerase 2beta-mediated relaxation of supercoiled pSG483 DNA after 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50007424	1	ChEMBL_1837923 (CHEMBL4338056)	Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs by spectrophotometry based broth microdilution assay
50007426	1	ChEMBL_1837931 (CHEMBL4338064)	Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as reduction in IL17A production incubated for 1 hr before CD3 and CD28 stimulation for 20 hrs by AlphaLISA method
50007426	2	ChEMBL_1837930 (CHEMBL4338063)	Inverse agonist activity at full length human RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity incubated for 18 hrs by Gal4-Luc reporter gene assay
50007426	3	ChEMBL_1837938 (CHEMBL4338071)	Activity at RORbeta (unknown origin)
50007426	4	ChEMBL_1837939 (CHEMBL4338072)	Activity at LXRalpha (unknown origin)
50007426	5	ChEMBL_1837940 (CHEMBL4338073)	Activity at LXRbeta (unknown origin)
50007426	6	ChEMBL_1837953 (CHEMBL4338086)	Inhibition of recombinant CYP2C9 (unknown origin)
50007426	7	ChEMBL_1837937 (CHEMBL4338070)	Activity at RORalpha (unknown origin)
50007426	8	ChEMBL_1837936 (CHEMBL4338069)	Activity at PXR (unknown origin)
50007426	9	ChEMBL_1837945 (CHEMBL4338078)	Inverse agonist activity at RORgammat in mouse cells by mTh17 assay
50007426	10	ChEMBL_1837944 (CHEMBL4338077)	Agonist activity at RORalpha (unknown origin) by Gal4-Luc reporter gene assay
50007426	11	ChEMBL_1837946 (CHEMBL4338079)	Agonist activity at RORbeta (unknown origin) by Gal4-Luc reporter gene assay
50007426	12	ChEMBL_1837950 (CHEMBL4338083)	Agonist activity at LXRbeta (unknown origin) by Gal4-Luc reporter gene assay
50007426	13	ChEMBL_1837951 (CHEMBL4338084)	Inhibition of recombinant CYP1A2 (unknown origin)
50007426	14	ChEMBL_1837952 (CHEMBL4338085)	Inhibition of recombinant CYP2C8 (unknown origin)
50007426	15	ChEMBL_1837955 (CHEMBL4338088)	Inhibition of recombinant CYP2D6 (unknown origin)
50007426	16	ChEMBL_1837956 (CHEMBL4338089)	Inhibition of recombinant CYP3A4 (unknown origin) using BFC substrate
50007426	17	ChEMBL_1837949 (CHEMBL4338082)	Agonist activity at LXRalpha (unknown origin) by Gal4-Luc reporter gene assay
50007426	18	ChEMBL_1837948 (CHEMBL4338081)	Agonist activity at PXR (unknown origin) by Gal4-Luc reporter gene assay)
50007426	19	ChEMBL_1837954 (CHEMBL4338087)	Inhibition of recombinant CYP2C19 (unknown origin)
50007426	20	ChEMBL_1837947 (CHEMBL4338080)	Inverse agonist activity at RORgammat in CD3/CD28/IL-1/IL-23-stimulated C57/B6 mouse whole blood assessed as reduction in IL17A production incubated for 1 hr before stimulation with CD3/CD28/IL-1/IL-23 for 24 hrs by AlphaLISA method
50007427	1	ChEMBL_1838001 (CHEMBL4338134)	Inhibition of recombinant MTHFD2 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD
50007427	2	ChEMBL_1838002 (CHEMBL4338135)	Inhibition of recombinant MTHFD1 (unknown origin) using THF as substrate incubated for 30 mins in presence of NAD
50007428	1	ChEMBL_1838109 (CHEMBL4338242)	Binding affinity to wild-type human partial length BIKE (S34 to N329 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	2	ChEMBL_1838118 (CHEMBL4338251)	Binding affinity to wild-type human full length PIK4CB (M1 to M828 residues) expressed in mammalian expression system by active-site directed competition binding assay based Kinomescan method
50007428	3	ChEMBL_1838142 (CHEMBL4338275)	Inhibition of DRAK1 (unknown origin) expressed in HEK293 cells by NanoLuc-luciferase reporter based intracellular ATP competitiveness assay
50007428	4	ChEMBL_1838057 (CHEMBL4338190)	Inhibition of PIM2 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	5	ChEMBL_1838058 (CHEMBL4338191)	Inhibition of PIM3 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	6	ChEMBL_1838060 (CHEMBL4338193)	Inhibition of GCK (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	7	ChEMBL_1838055 (CHEMBL4338188)	Inhibition of ERK8 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	8	ChEMBL_1838054 (CHEMBL4338187)	Inhibition of DYRK1A (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	9	ChEMBL_1838061 (CHEMBL4338194)	Inhibition of TAK1 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	10	ChEMBL_1838063 (CHEMBL4338196)	Inhibition of MLK3 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	11	ChEMBL_1838065 (CHEMBL4338198)	Inhibition of Aurora A (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	12	ChEMBL_1838066 (CHEMBL4338199)	Inhibition of Aurora B (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	13	ChEMBL_1838056 (CHEMBL4338189)	Inhibition of PIM1 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	14	ChEMBL_1838059 (CHEMBL4338192)	Inhibition of SIK3 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	15	ChEMBL_1838062 (CHEMBL4338195)	Inhibition of MLK1 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	16	ChEMBL_1838064 (CHEMBL4338197)	Inhibition of RIPK2 (unknown origin) by [33P]-ATP filter binding kinase assay
50007428	17	ChEMBL_1838104 (CHEMBL4338237)	Binding affinity to wild-type human full length DRAK2 (M1 to C372 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	18	ChEMBL_1838105 (CHEMBL4338238)	Binding affinity to wild-type human partial length MYLK4 (V79 to S380 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	19	ChEMBL_1838107 (CHEMBL4338240)	Binding affinity to wild-type human partial length JAK1 JH2 domain-pseudokinase expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	20	ChEMBL_1838108 (CHEMBL4338241)	Binding affinity to wild-type human partial length PIKFYVE (F1512 to C2098 residues) expressed in mammalian expression system by active-site directed competition binding assay based Kinomescan method
50007428	21	ChEMBL_1838112 (CHEMBL4338245)	Binding affinity to wild-type human partial length IRAK3 (V147 to E596 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	22	ChEMBL_1838113 (CHEMBL4338246)	Binding affinity to wild-type human partial length TYK2 JH2 domain-pseudokinase expressed in mammalian expression system by active-site directed competition binding assay based Kinomescan method
50007428	23	ChEMBL_1838116 (CHEMBL4338249)	Binding affinity to wild-type human partial length STK36 (M1 to T271 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	24	ChEMBL_1838117 (CHEMBL4338250)	Binding affinity to wild-type human partial length DRAK1 (R32 to E363 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	25	ChEMBL_1838120 (CHEMBL4338253)	Binding affinity to wild-type human full length CSNK1E (M1 to K416 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	26	ChEMBL_1838121 (CHEMBL4338254)	Binding affinity to wild-type human partial length PIM3 (G16 to A317 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	27	ChEMBL_1838122 (CHEMBL4338255)	Binding affinity to human partial length FLT3 N841I mutant (V592 to Y969 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	28	ChEMBL_1838140 (CHEMBL4338273)	Inhibition of Alexa Fluor 647-labeled ATP competitive kinase tracer binding to GST-tagged DRAK1 (unknown origin) by FRET based cell free ATP-competitive tracer displacement assay
50007428	29	ChEMBL_1838141 (CHEMBL4338274)	Inhibition of Alexa Fluor 647-labeled ATP competitive kinase tracer binding to GST-tagged DRAK2 (unknown origin) by FRET based cell free ATP-competitive tracer displacement assay
50007428	30	ChEMBL_1838143 (CHEMBL4338276)	Inhibition of DRAK2 (unknown origin) expressed in HEK293 cells by NanoLuc-luciferase reporter based intracellular ATP competitiveness assay
50007428	31	ChEMBL_1838111 (CHEMBL4338244)	Binding affinity to wild-type human partial length STK35 (G182 to A534 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	32	ChEMBL_1838114 (CHEMBL4338247)	Binding affinity to wild-type human partial length DCAMKL3 (E140 to V628 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	33	ChEMBL_1838106 (CHEMBL4338239)	Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	34	ChEMBL_1838110 (CHEMBL4338243)	Binding affinity to wild-type human partial length PIM1 (A15 to K313 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	35	ChEMBL_1838115 (CHEMBL4338248)	Binding affinity to wild-type human partial length CIT (M68 to E432 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	36	ChEMBL_1838119 (CHEMBL4338252)	Binding affinity to wild-type human full length RIOK1 (M1 to K568 residues) expressed in bacterial expression system by active-site directed competition binding assay based Kinomescan method
50007428	37	ChEMBL_1838139 (CHEMBL4338272)	Inhibition of CDK9 (unknown origin)
50007430	1	ChEMBL_1838179 (CHEMBL4338312)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins followed by substrate addition and measured every 1 min
50007433	1	ChEMBL_1838251 (CHEMBL4338384)	Inhibition of human Cathepsin L assessed as inhibition constant using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50007433	2	ChEMBL_1838249 (CHEMBL4338382)	Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris assessed as inhibition constant measured for 30 mins using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50007434	1	ChEMBL_1838265 (CHEMBL4338398)	Activation of recombinant human STING haplotype R71H/G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay
50007434	2	ChEMBL_1838267 (CHEMBL4338400)	Activation of recombinant human STING haplotype G230A/R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay
50007434	3	ChEMBL_1838263 (CHEMBL4338396)	Activation of recombinant human wild-type STING expressed in 293T cells incubated for 7 hrs in absence of digitonin A by bright Glo-luciferase reporter gene assay
50007434	4	ChEMBL_1838264 (CHEMBL4338397)	Activation of recombinant human wild-type STING expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay
50007434	5	ChEMBL_1838268 (CHEMBL4338401)	Activation of recombinant human STING haplotype R293Q mutant expressed in 293T cells measured after 30 mins in presence of digitonin A by bright Glo-luciferase reporter gene assay
50007435	1	ChEMBL_1838280 (CHEMBL4338413)	Inhibition of DPP4 in C57BL/6 mouse serum pre-incubated for 5 mins followed by Gly-Pro-7-AMC substrate addition by fluorescence based assay
50007436	1	ChEMBL_1838324 (CHEMBL4338457)	Inhibition of recombinant human N-terminal GST-fused and C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence assay
50007436	2	ChEMBL_1838434 (CHEMBL4338567)	Inhibition of class 1 HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 3.2 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 63.2 uM)
50007436	3	ChEMBL_1838321 (CHEMBL4338454)	Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay
50007436	4	ChEMBL_1838320 (CHEMBL4338453)	Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay
50007436	5	ChEMBL_1838312 (CHEMBL4338445)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-acetyl)-AMC as substrate incubated for 90 mins by fluorescence assay
50007436	6	ChEMBL_1838311 (CHEMBL4338444)	Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 mins by fluorescence assay
50007436	7	ChEMBL_1838314 (CHEMBL4338447)	Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate incubated for 90 mins by fluorescence assay
50007436	8	ChEMBL_1838313 (CHEMBL4338446)	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-acetyl)-AMC as substrate incubated for 90 mins by fluorescence assay
50007436	9	ChEMBL_1838325 (CHEMBL4338458)	Inhibition of recombinant human C-terminal His-fusion tagged/N-terminal Strep-2 tagged HDAC8 (1 to 377 residues) expressed in insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 90 mins by fluorescence assay
50007436	10	ChEMBL_1838326 (CHEMBL4338459)	Inhibition of class 1 HDAC in human CAL27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 5 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 9.79 uM)
50007436	11	ChEMBL_1838433 (CHEMBL4338566)	Inhibition of class 1 HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.5 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 63.2 uM)
50007436	12	ChEMBL_1838431 (CHEMBL4338564)	Inhibition of class 1 HDAC in human CAL27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.5 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 9.79 uM)
50007436	13	ChEMBL_1838315 (CHEMBL4338448)	Inhibition of recombinant HDAC1 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition and measured after 1 hr by fluorescence assay
50007436	14	ChEMBL_1838330 (CHEMBL4338463)	Inhibition of class 1 HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 5 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 63.2 uM)
50007436	15	ChEMBL_1838316 (CHEMBL4338449)	Inhibition of recombinant HDAC3 (unknown origin)/NCOR2 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition and measured after 1 hr by fluorescence assay
50007436	16	ChEMBL_1838432 (CHEMBL4338565)	Inhibition of class 1 HDAC in human CAL27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 3.2 uM preincubated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 9.79 uM)
50007439	1	ChEMBL_1838450 (CHEMBL4338583)	Inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using fluorogenic AMC-substituted peptide boc-GRR-7-amino-4-methylcoumarin measured every 30 secs for 10 mins by fluorometric assay
50007439	2	ChEMBL_1838449 (CHEMBL4338582)	Inhibition of Dengue virus NS2B/NS3 protease
50007439	3	ChEMBL_1838448 (CHEMBL4338581)	Inhibition of Zika virus NS2B/NS3 protease
50007439	4	ChEMBL_1838454 (CHEMBL4338587)	Binding affinity to N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) by microscale thermophoresis method
50007439	5	ChEMBL_1838455 (CHEMBL4338588)	Non-competitive inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using 50 to 200 uM fluorogenic AMC-substituted peptide boc-GRR-7-amino-4-methylcoumarin measured every 30 secs for 10 mins by fluorometric assay based Dixon plot analysis
50007441	1	ChEMBL_1838489 (CHEMBL4338622)	Inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using 6,8-difluoromethylumbelliferyl phosphate as substrate incubated for 30 mins by fluorescence based assay
50007441	2	ChEMBL_1838490 (CHEMBL4338623)	Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as substrate incubated for 30 mins by Lineweaver-Burk blot analysis
50007442	1	ChEMBL_1838491 (CHEMBL4338624)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 30 mins by Ellman's method
50007443	1	ChEMBL_1838591 (CHEMBL4338724)	Inhibition of EGFR phosphorylation at Y 1173 residues in human HeLa cells preincubated for 30 mins followed by EGF-stimulation and measured after 2 mins by ELISA
50007444	1	ChEMBL_1838592 (CHEMBL4338725)	Positive allosteric modulation of human D1 receptor expressed in HEK293 assessed as cAMP production incubated for 60 mins by HTRF assay
50007446	1	ChEMBL_1838607 (CHEMBL4338740)	Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound washout with HBSS-BSA by Hoechst H33342 staining based confocal microscopy analysis
50007446	2	ChEMBL_1838603 (CHEMBL4338736)	Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation counter analysis
50007446	3	ChEMBL_1838600 (CHEMBL4338733)	Binding affinity to human neurotensin receptor 1
50007446	4	ChEMBL_1838605 (CHEMBL4338738)	Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells preincubated for 20 mins to 2 hrs followed by addition of NT (8 to 13) measured upto 180 mins by FACSCalibur flow cytometry analysis
50007446	5	ChEMBL_1838606 (CHEMBL4338739)	Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound washout by Hoechst H33342 staining confocal microscopy analysis
50007446	6	ChEMBL_1838599 (CHEMBL4338732)	Agonist activity at human neurotensin receptor 1 in HT-29 cells assessed as intracellular calcium mobilization by Fura-2 dye based spectrofluorimetry analysis
50007446	7	ChEMBL_1838608 (CHEMBL4338741)	Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation counter analysis
50007446	8	ChEMBL_1838604 (CHEMBL4338737)	Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation counter analysis
50007446	9	ChEMBL_1838598 (CHEMBL4338731)	Agonist activity at human neurotensin receptor 1 expressed in CHO cells assessed as increase in intracellular calcium by Fluo-4 dye based fluorescence assay
50007449	1	ChEMBL_1838638 (CHEMBL4338771)	Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRET based LanthaScreen Eu kinase binding assay
50007449	2	ChEMBL_1838636 (CHEMBL4338769)	Inhibition of kinase tracer 178 binding to recombinant human GST-tagged DDR2 (427-855 residues) expressed in baculovirus expression system incubated for 60 mins by TR-FRET based LanthaScreen Eu kinase binding assay
50007449	3	ChEMBL_1838637 (CHEMBL4338770)	Inhibition of kinase tracer 178 binding to recombinant human GST-tagged DDR1 expressed in baculovirus expression system incubated for 60 mins by TR-FRET based LanthaScreen Eu kinase binding assay
50007449	4	ChEMBL_1838639 (CHEMBL4338772)	Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRET based LanthaScreen Eu kinase binding assay
50007449	5	ChEMBL_1838651 (CHEMBL4338784)	Inhibition of FLAG-tagged DDR1 in human HEK293 cells assessed as reduction in collagen-1-induced DDR1 phosphorylation incubated for 18 hrs by ELISA
50007450	1	ChEMBL_1838658 (CHEMBL4338791)	Binding affinity at recombinant human C-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	2	ChEMBL_1838659 (CHEMBL4338792)	Binding affinity at recombinant human Galectin 7 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	3	ChEMBL_1838662 (CHEMBL4338795)	Binding affinity at recombinant human N-terminal Galectin 9 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	4	ChEMBL_1838663 (CHEMBL4338796)	Binding affinity at recombinant human C-terminal Galectin 9 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	5	ChEMBL_1838661 (CHEMBL4338794)	Binding affinity at recombinant human C-terminal Galectin 8 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	6	ChEMBL_1838654 (CHEMBL4338787)	Binding affinity at recombinant human Galectin 1 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	7	ChEMBL_1838656 (CHEMBL4338789)	Binding affinity at recombinant human Galectin 3 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	8	ChEMBL_1838657 (CHEMBL4338790)	Binding affinity at recombinant human N-terminal Galectin 4 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	9	ChEMBL_1838660 (CHEMBL4338793)	Binding affinity at recombinant human N-terminal Galectin 8 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007450	10	ChEMBL_1838655 (CHEMBL4338788)	Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay
50007451	1	ChEMBL_1838676 (CHEMBL4338809)	Inhibition of recombinant full length human HDAC1 (1 to 482 residues) expressed in baculovirus expression system using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorometric method
50007451	2	ChEMBL_1838678 (CHEMBL4338811)	Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 (395 to 489 residus) using Ac-peptide as substrate incubated for 60 mins by fluorometric method
50007451	3	ChEMBL_1838675 (CHEMBL4338808)	Inhibition of human NAMPT using NAM and PRPP as substrates incubated for 90 mins in presence of NMNAT by fluorometric method
50007451	4	ChEMBL_1838677 (CHEMBL4338810)	Inhibition of recombinant human C-terminal His-tagged HDAC2 expressed in baculovirus expression system using Ac-peptide as substrate incubated for 60 mins by fluorometric method
50007452	1	ChEMBL_1838752 (CHEMBL4338885)	Inhibition of IDH1 R132H mutant in glioma patient-derived human TS603 neurosphere cells assessed as reduction in 2-HG content using alpha-ketoglutarate as substrate after 48 hrs by LC-MS analysis
50007452	2	ChEMBL_1838753 (CHEMBL4338886)	Inhibition of IDH2 R140Q mutant (unknown origin) transfected using lentiviral expression system in human U87MG cells assessed as reduction in 2-HG content using alpha-ketoglutarate as substrate after 48 hrs by LC-MS analysis
50007452	3	ChEMBL_1838748 (CHEMBL4338881)	Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 cells assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate after 60 mins by Diaphorase/Resazurin dye based fluorescence assay
50007452	4	ChEMBL_1838750 (CHEMBL4338883)	Inhibition of full-length C-terminal His6 tagged IDH2 R140Q mutant (1 to 452 residues) (unknown origin) homodimer expressed in Sf9 cells assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate preincubated for 16 hrs followed by substrate addition and measured after 1 hr by Diaphorase/Resazurin dye based fluorescence assay
50007453	1	ChEMBL_1838766 (CHEMBL4338899)	Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of biotin-labelled SRC-1 peptide recruitment preincubated for 15 mins followed by biotin-labelled SRC-1 peptide addition and measured after overnight incubation by TR-FRET assay
50007453	2	ChEMBL_1838767 (CHEMBL4338900)	Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hrs by steady-glo luciferase assay
50007453	3	ChEMBL_1838770 (CHEMBL4338903)	Allosteric inhibition of RORgammaT in IL-1B/IL-23/IL-2/IL-6/T-Activator CD3/28 Dynabeads-stimulated human PBMC cells assessed as reduction in Th17 differentiation by measuring reduction in IL-17A level incubated for 4 days post-cell stimulation by ELISA
50007453	4	ChEMBL_1838769 (CHEMBL4338902)	Displacement of [3H]rosiglitazone from human recombinant PPARgamma LBD expressed in insect cells measured after 24 hrs by scintillation counting analysis
50007453	5	ChEMBL_1838768 (CHEMBL4338901)	Inhibition of CYP3A4 (unknown origin)
50007454	1	ChEMBL_1838810 (CHEMBL4338943)	Inhibition of CDK8 (unknown origin)
50007454	2	ChEMBL_1838809 (CHEMBL4338942)	Inhibition of CDK8/CyclinC (unknown origin)
50007454	3	ChEMBL_1838813 (CHEMBL4338946)	Binding affinity to CDK8 (unknown origin)
50007455	1	ChEMBL_1838817 (CHEMBL4338950)	Inhibition of recombinant N-terminal FLAG/His-tagged SMYD3 (unknown origin) expressed in baculovirus infected insect cells using 3H-SAM as substrate assessed as 3H-MEKK2 methylation incubated for 40 mins by scintillation proximity assay
50007455	2	ChEMBL_1838818 (CHEMBL4338951)	Inhibition of recombinant SMYD3 (unknown origin) transfected in human HEK293 cells assessed as reduction in MEKK2 methylation incubated for 24 hrs by cellular mechanistic assay
50007455	3	ChEMBL_1838821 (CHEMBL4338954)	Uncompetitive inhibition of SMYD3 (unknown origin) assessed as inhibitory constant incubated for 60 mins by Cheng-Prusoff equation analysis
50007455	4	ChEMBL_1838822 (CHEMBL4338955)	Uncompetitive inhibition of SMYD3 (unknown origin) assessed as inhibitory constant incubated for 60 mins by Lineweaver-Burk plot analysis
50007455	5	ChEMBL_1838823 (CHEMBL4338956)	Inhibition of SMYD3 (unknown origin) assessed as reduction in histone H4 methylation
50007458	1	ChEMBL_1838864 (CHEMBL4338997)	Inhibition of human CYP2C9 using tolubutamide as substrate by LC/MS/MS analysis
50007458	2	ChEMBL_1838865 (CHEMBL4338998)	Inhibition of human CYP2C19 using S-mephenytoin as substrate by LC/MS/MS analysis
50007458	3	ChEMBL_1838866 (CHEMBL4338999)	Inhibition of human CYP2D6 using dextromethorphan as substrate by LC/MS/MS analysis
50007458	4	ChEMBL_1838858 (CHEMBL4338991)	Inhibition of human ERG expressed in human HEK293 cells by patch clamp assay
50007458	5	ChEMBL_1838868 (CHEMBL4339001)	Inhibition of human ERG by competitive fluorescence polarization assay
50007458	6	ChEMBL_1838863 (CHEMBL4338996)	Inhibition of human CYP1A2 using phenacetin as substrate by LC/MS/MS analysis
50007458	7	ChEMBL_1838867 (CHEMBL4339000)	Inhibition of human CYP3A4 using sorafenib as substrate by LC/MS/MS analysis
50007460	1	ChEMBL_1838892 (CHEMBL4339025)	Inhibition of wild type His-tagged TGFBR2 kinase domain (unknown origin) incubated for 1 hr by HTRF analysis
50007460	2	ChEMBL_1838901 (CHEMBL4339034)	Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reduction in SMAD2 nuclear translocation
50007460	3	ChEMBL_1838925 (CHEMBL4339058)	Inhibition of recombinant CYP2C19 (unknown origin)
50007460	4	ChEMBL_1838956 (CHEMBL4339089)	Inhibition of TGFBR1 in mouse whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation
50007460	5	ChEMBL_1838904 (CHEMBL4339037)	Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incubated for 1 hr by HTRF analysis
50007460	6	ChEMBL_1838902 (CHEMBL4339035)	Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduction in SMAD nuclear translocation preincubated for 1 hr followed by TGFbeta-stimulation for 15 mins by array scan based method
50007460	7	ChEMBL_1838909 (CHEMBL4339042)	Inhibition of TGFbetaR1 in TGFbeta-stimulated human T cells assessed as reduction in SMAD3 phosphorylation preincubated for 1 hr followed by TGFbeta-stimulation for 90 mins by Alphalisa assay
50007460	8	ChEMBL_1838910 (CHEMBL4339043)	Inhibition of TGFbetaR1 in TGFbeta-stimulated mouse NIH3T3 cells assessed as reduction in SMAD3 phosphorylation
50007460	9	ChEMBL_1838923 (CHEMBL4339056)	Inhibition of recombinant CYP2C8 (unknown origin)
50007460	10	ChEMBL_1838926 (CHEMBL4339059)	Inhibition of recombinant CYP2D6 (unknown origin)
50007460	11	ChEMBL_1838929 (CHEMBL4339062)	Activation of PXR (unknown origin)
50007460	12	ChEMBL_1838890 (CHEMBL4339023)	Inhibition of PDE4 (unknown origin) by HTRF assay
50007460	13	ChEMBL_1838955 (CHEMBL4339088)	Inhibition of TGFBR1 in human whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation
50007460	14	ChEMBL_1838924 (CHEMBL4339057)	Inhibition of recombinant CYP2C9 (unknown origin)
50007460	15	ChEMBL_1838927 (CHEMBL4339060)	Inhibition of recombinant CYP3A4 (unknown origin)
50007460	16	ChEMBL_1838911 (CHEMBL4339044)	Inhibition of TGFbetaR1 in anti-CD3/anti-CD28/IL-2/TGFbeta -stimulated human Treg cells assessed as downregulation of FOXP3 expression incubated for 5 days by flow cytometry analysis
50007460	17	ChEMBL_1838922 (CHEMBL4339055)	Inhibition of recombinant CYP1A2 (unknown origin)
50007460	18	ChEMBL_1838928 (CHEMBL4339061)	Inhibition of human ERG by electrophysiology analysis
50007461	1	ChEMBL_1838987 (CHEMBL4339120)	Inhibition IDO1 in LPS/IFN-gamma stimulated human whole blood assessed as reduction in tryptophan/kynurenine level preincubated for 15 mins followed by LPS/IFN-gamma stimulation measured after 20 hrs by LC-MS/MS analysis
50007461	2	ChEMBL_1838980 (CHEMBL4339113)	Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 24 hrs by fluorescence assay
50007461	3	ChEMBL_1838979 (CHEMBL4339112)	Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr by fluorescence assay
50007461	4	ChEMBL_1838985 (CHEMBL4339118)	Inhibition of TDO in human HEK cells
50007461	5	ChEMBL_1838992 (CHEMBL4339125)	Inhibition of CYP2D6 (unknown origin)
50007461	6	ChEMBL_1838993 (CHEMBL4339126)	Inhibition of CYP2C9 (unknown origin)
50007461	7	ChEMBL_1838994 (CHEMBL4339127)	Inhibition of CYP2C19 (unknown origin)
50007461	8	ChEMBL_1838991 (CHEMBL4339124)	Inhibition of CYP3A4 (unknown origin)
50007462	1	ChEMBL_1839011 (CHEMBL4339144)	Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured after 1 hr by fluorescence based assay
50007464	1	ChEMBL_1839058 (CHEMBL4339273)	Inhibition of HDAC7 (unknown origin)
50007464	2	ChEMBL_1839054 (CHEMBL4339269)	Inhibition of HDAC3 (unknown origin)
50007464	3	ChEMBL_1839057 (CHEMBL4339272)	Inhibition of HDAC6 (unknown origin)
50007464	4	ChEMBL_1839061 (CHEMBL4339276)	Inhibition of HDAC10 (unknown origin)
50007464	5	ChEMBL_1839052 (CHEMBL4339267)	Inhibition of HDAC1 (unknown origin)
50007464	6	ChEMBL_1839053 (CHEMBL4339268)	Inhibition of HDAC2 (unknown origin)
50007464	7	ChEMBL_1839055 (CHEMBL4339270)	Inhibition of HDAC4 (unknown origin)
50007464	8	ChEMBL_1839056 (CHEMBL4339271)	Inhibition of HDAC5 (unknown origin)
50007464	9	ChEMBL_1839065 (CHEMBL4339280)	Inhibition of recombinant human full-length N-terminal GST-tagged p110delta/untagged full-length p85alpha expressed in baculovirus infected Sf9 cells using PIP2 as substrate by ADP-glo luminescence assay
50007464	10	ChEMBL_1839063 (CHEMBL4339278)	Inhibition of recombinant human full-length N-terminal GST-tagged p110alpha/untagged full-length p85alpha expressed in baculovirus infected Sf9 cells using PIP2 as substrate by ADP-glo luminescence assay
50007464	11	ChEMBL_1839062 (CHEMBL4339277)	Inhibition of HDAC11 (unknown origin)
50007464	12	ChEMBL_1839059 (CHEMBL4339274)	Inhibition of HDAC8 (unknown origin)
50007464	13	ChEMBL_1839044 (CHEMBL4339259)	Inhibition of HER2 (unknown origin)
50007464	14	ChEMBL_1839043 (CHEMBL4339258)	Inhibition of EGFR (unknown origin) by HTscan assay
50007464	15	ChEMBL_1839064 (CHEMBL4339279)	Inhibition of recombinant human full-length N-terminal GST-tagged p110beta/untagged full-length p85alpha expressed in baculovirus infected Sf9 cells using PIP2 as substrate by ADP-glo luminescence assay
50007464	16	ChEMBL_1839060 (CHEMBL4339275)	Inhibition of HDAC9 (unknown origin)
50007464	17	ChEMBL_1839042 (CHEMBL4339257)	Inhibition of HDAC (unknown origin) in human HeLa cell nuclear extract using Color de Lys as substrate
50007466	1	ChEMBL_1839070 (CHEMBL4339285)	Inverse agonist activity at APC-labeled biotinylated RORgammat LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((20-methoxy-[1,10-biphenyl]-4-yl)methyl)benzenesulfonamide-induced co-activator europium-labeled biotinylated SRC1 peptide recruitment after 1 hr by LANCE-FRET assay
50007466	2	ChEMBL_1839072 (CHEMBL4339287)	Inverse agonist activity at RORgammat in mouse CD4 positive T cells assessed as inhibition of Th17 cell differentiation by measuring IL-17 release after 4 days by cellular staining based flow cytometry
50007467	1	ChEMBL_1839104 (CHEMBL4339319)	Inhibition of recombinant C-terminal 6xHis-tagged MTH1 (3 to 156 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate measured after 30 mins by malachite green dye based inorganic phosphatase coupled absorbance assay
50007468	1	ChEMBL_1839123 (CHEMBL4339338)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method
50007468	2	ChEMBL_1839122 (CHEMBL4339337)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 secs by spectrophotometry based Ellman's method
50007468	3	ChEMBL_1839121 (CHEMBL4339336)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 secs by spectrophotometry based Ellman's method
50007468	4	ChEMBL_1839114 (CHEMBL4339329)	Inhibition of ovine COX -1 by colorimetric inhibitor screening assay kit method
50007468	5	ChEMBL_1839115 (CHEMBL4339330)	Inhibition of ovine COX -2 by colorimetric inhibitor screening assay kit method
50007468	6	ChEMBL_1839126 (CHEMBL4339341)	Mixed type inhibition of recombinant human AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's method
50007468	7	ChEMBL_1839127 (CHEMBL4339342)	Mixed type inhibition of recombinant human AChE assessed as dissociation constant using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's method
50007469	1	ChEMBL_1839254 (CHEMBL4339469)	Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 measured after 1.5 hrs by TR-FRET assay
50007469	2	ChEMBL_1839215 (CHEMBL4339430)	Inhibition of recombinant human AKR1C2 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotometric method
50007469	3	ChEMBL_1839216 (CHEMBL4339431)	Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotometric method
50007469	4	ChEMBL_1839209 (CHEMBL4339424)	Inhibition of recombinant human AKR1C4 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotometric method
50007469	5	ChEMBL_1839189 (CHEMBL4339404)	Inhibition of recombinant full-length human N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21 (DE3) using phenanthrenequinone as substrate in presence of NADPH generating system
50007469	6	ChEMBL_1839213 (CHEMBL4339428)	Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 (D3) using S-tetralol as substrate in presence of NADP+ by UV-spectrophotometric method
50007469	7	ChEMBL_1839190 (CHEMBL4339405)	Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (D3) using oracin as substrate measured after 30 mins in presence of NADPH generating system by HPLC method
50007473	1	ChEMBL_1839365 (CHEMBL4339580)	Inhibition of C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 residues) expressed in Escherichia coli BL21 DE3 measured after 2.5 hrs by fluorescence polarization assay
50007473	2	ChEMBL_1839366 (CHEMBL4339581)	Inhibition of C-terminal fluorescein-labeled human cadherin (819 to 873 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 residues) expressed in Escherichia coli BL21 DE3 measured after 2.5 hrs by fluorescence polarization assay
50007473	3	ChEMBL_1839367 (CHEMBL4339582)	Inhibition of C-terminal fluorescein-labeled human APC-R3 (1477 to 1519 residues) binding to wild-type C-terminal His6-tagged beta-catenin (138 to 781 residues) expressed in Escherichia coli BL21 DE3 measured after 2.5 hrs by fluorescence polarization assay
50007474	1	ChEMBL_1839407 (CHEMBL4339622)	Negative allosteric modulation of recombinant rat GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current response at -40 mV holding potential by two-electrode voltage clamp method
50007474	2	ChEMBL_1839409 (CHEMBL4339624)	Negative allosteric modulation of recombinant rat GluN1/GluN2D expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current response at -40 mV holding potential by two-electrode voltage clamp method
50007474	3	ChEMBL_1839417 (CHEMBL4339632)	Negative allosteric modulation of recombinant rat GluN1/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current response at -40 mV holding potential by two-electrode voltage clamp method
50007474	4	ChEMBL_1839419 (CHEMBL4339634)	Negative allosteric modulation of recombinant rat GluN1/GluN2B expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current response at -40 mV holding potential by two-electrode voltage clamp method
50007475	1	ChEMBL_1839441 (CHEMBL4339656)	Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor measured after 2 hrs by liquid scintillation counting analysis
50007475	2	ChEMBL_1839434 (CHEMBL4339649)	Negative allosteric modulation of recombinant human GluN1a/GluN2B expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced response preincubated for 5 mins followed by glutamate/glycine addition and measured after 5 mins by calcium 5 dye based FLIPR TETRA analysis
50007475	3	ChEMBL_1839438 (CHEMBL4339653)	Displacement of [3H]Ro25-6981 from rat GluN2B receptor
50007475	4	ChEMBL_1839444 (CHEMBL4339659)	Inhibition of CYP2C19 in human liver microsomes
50007475	5	ChEMBL_1839445 (CHEMBL4339660)	Inhibition of CYP2C8 in human liver microsomes
50007475	6	ChEMBL_1839443 (CHEMBL4339658)	Inhibition of CYP1A2 in human liver microsomes
50007475	7	ChEMBL_1839446 (CHEMBL4339661)	Inhibition of CYP2C9 in human liver microsomes
50007475	8	ChEMBL_1839448 (CHEMBL4339663)	Inhibition of CYP3A4 in human liver microsomes
50007475	9	ChEMBL_1839450 (CHEMBL4339665)	Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 cell membranes measured after 80 mins by TopCount scintillation analysis
50007475	10	ChEMBL_1839447 (CHEMBL4339662)	Inhibition of CYP2D6 in human liver microsomes
50007475	11	ChEMBL_1839437 (CHEMBL4339652)	Negative allosteric modulation of recombinant human GluN1a/GluN2D expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced response preincubated for 5 mins followed by glutamate/glycine addition and measured after 5 mins by calcium 5 dye based FLIPR TETRA analysis
50007475	12	ChEMBL_1839436 (CHEMBL4339651)	Negative allosteric modulation of recombinant human GluN1a/GluN2C expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced response preincubated for 5 mins followed by glutamate/glycine addition and measured after 5 mins by calcium 5 dye based FLIPR TETRA analysis
50007475	13	ChEMBL_1839435 (CHEMBL4339650)	Negative allosteric modulation of recombinant human GluN1a/GluN2A expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced response preincubated for 5 mins followed by glutamate/glycine addition and measured after 5 mins by calcium 5 dye based FLIPR TETRA analysis
50007477	1	ChEMBL_1839474 (CHEMBL4339689)	Negative allosteric modulation of TARPgamma8 in rat hippocampal neurons assessed as inhibition of glutamate-induced current at 10 uM at -60 mV holding potential by patch-clamp electrophysiology method
50007477	2	ChEMBL_1839489 (CHEMBL4339704)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50007477	3	ChEMBL_1839473 (CHEMBL4339688)	Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium flux at 100 uM by calcium 5/6 dye based FLIPR assay
50007477	4	ChEMBL_1839471 (CHEMBL4339686)	Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma8 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium flux by calcium 5/6 dye based FLIPR assay
50007477	5	ChEMBL_1839472 (CHEMBL4339687)	Negative allosteric modulation of recombinant human GluA1 flop isoform/TARPgamma2 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium flux by calcium 5/6 dye based FLIPR assay
50007477	6	ChEMBL_1839477 (CHEMBL4339692)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50007479	1	ChEMBL_1839508 (CHEMBL4339723)	Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins
50007479	2	ChEMBL_1839509 (CHEMBL4339724)	Antagonist activity at CCR5 (unknown origin) expressed in human HT1080 cells assessed as blockade of MIP1beta-binding to receptor
50007479	3	ChEMBL_1839521 (CHEMBL4339736)	Binding affinity to CCR5 in T-cell (unknown origin)
50007479	4	ChEMBL_1839522 (CHEMBL4339737)	Inhibition of CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 10 mins by calcein-AM dye based fluorescence assay
50007482	1	ChEMBL_1839531 (CHEMBL4339746)	Inhibition of Hs-tagged TYK2 (unknown origin) using fluoresceinated peptide as substrate measured after 3 hrs by electrophoresis method
50007482	2	ChEMBL_1839529 (CHEMBL4339744)	Inhibition of GST-tagged JAK3 (unknown origin) using fluoresceinated peptide as substrate measured after 3 hrs by electrophoresis method
50007482	3	ChEMBL_1839532 (CHEMBL4339747)	Inhibition of GST-tagged JAK2 (unknown origin) using fluoresceinated peptide as substrate measured after 3 hrs by electrophoresis method
50007482	4	ChEMBL_1839530 (CHEMBL4339745)	Inhibition of GST-tagged JAK1 (unknown origin) using fluoresceinated peptide as substrate measured after 3 hrs by electrophoresis method
50007483	1	ChEMBL_1839556 (CHEMBL4339771)	Transactivation of PXR in human HepG2 cells
50007483	2	ChEMBL_1839555 (CHEMBL4339770)	Inverse agonist activity at GAL4-fused RORgammat LBD (267 to 516 residues) (unknown origin) expressed in human Jurkat cells measured after 18 hrs by native IL17 promoter driven steady-glo luciferase assay
50007483	3	ChEMBL_1839558 (CHEMBL4339773)	Agonist activity at LXRalpha (unknown origin) expressed in African green monkey CV1 cells
50007483	4	ChEMBL_1839560 (CHEMBL4339775)	Agonist activity at LXRbeta (unknown origin) expressed in African green monkey CV1 cells
50007483	5	ChEMBL_1839562 (CHEMBL4339777)	Binding affinity to RORgammat LBD (unknown origin)
50007483	6	ChEMBL_1839572 (CHEMBL4339787)	Inhibition of CYP1A2 (unknown origin)
50007483	7	ChEMBL_1839575 (CHEMBL4339790)	Inhibition of CYP2D6 (unknown origin)
50007483	8	ChEMBL_1839576 (CHEMBL4339791)	Inhibition of CYP3A4 (unknown origin)
50007483	9	ChEMBL_1839577 (CHEMBL4339792)	Inhibition of CYP2C8 (unknown origin)
50007483	10	ChEMBL_1839573 (CHEMBL4339788)	Inhibition of CYP2C9 (unknown origin)
50007483	11	ChEMBL_1839574 (CHEMBL4339789)	Inhibition of CYP2C19 (unknown origin)
50007486	1	ChEMBL_1839601 (CHEMBL4339816)	Inhibition of human MOLT4 cell-derived PDE10A using [3H]cAMP as substrate measured after 2 hrs in presence of rolipram/milrinone by topcount method
50007486	2	ChEMBL_1839613 (CHEMBL4339828)	Inhibition of human MOLT4 cell-derived PDE7 using [3H]cAMP as substrate measured after 2 hrs in presence of rolipram/milrinone by topcount method
50007486	3	ChEMBL_1839619 (CHEMBL4339834)	Inhibition of recombinant rat PDE10A expressed in Sf9 cells using cGMP/cAMP as substrate by scintillation proximity assay
50007487	1	ChEMBL_1839625 (CHEMBL4339840)	Transactivation of rat LXRbeta expressed in HEK293FT cells measured after 14 to 18 hrs by dual-luciferase reporter gene assay
50007488	1	ChEMBL_1839627 (CHEMBL4339842)	Inhibition of recombinant human CYP19A1 using DBF as substrate measured after 1 hr by fluorescence assay
50007489	1	ChEMBL_1839643 (CHEMBL4339858)	Inhibition of FTase (unknown origin)
50007490	1	ChEMBL_1839669 (CHEMBL4339884)	Inhibition of recombinant human N-terminal GST-tagged CLK1 (129 to end residues) expressed in baculovirus infected Sf9 insect cells sing MBP as substrate measured after 60 mins by ADP-Glo luminescence assay
50007490	2	ChEMBL_1839658 (CHEMBL4339873)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma33P]ATP
50007490	3	ChEMBL_1839672 (CHEMBL4339887)	Inhibition of recombinant full-length rat N-terminal GST-tagged DYRK1A was expressed in Escherichia coli using DYRKtide as substrate measured after 60 mins by ADP-Glo luminescence assay
50007491	1	ChEMBL_1839745 (CHEMBL4339960)	Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation analysis by scintillation counting analysis
50007491	2	ChEMBL_1839746 (CHEMBL4339961)	Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff equation analysis by scintillation counting analysis
50007493	1	ChEMBL_1839759 (CHEMBL4339974)	Agonist activity at D1 receptor (unknown origin) expressed in CHOK1 cells assessed as increase in cAMP accumulation measured after 30 mins
50007493	2	ChEMBL_1839755 (CHEMBL4339970)	Antagonist activity at D1 receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of SKF38393-induced cAMP accumulation measured after 30 mins
50007493	3	ChEMBL_1839756 (CHEMBL4339971)	Antagonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of dopamine-induced calcium flux preincubated for 60 mins at 37 degC followed by 15 mins incubation under room temperature and subsequent dopamine addition measured after 20 secs for 100 secs by calcium-4 dye based FLIPR assay
50007493	4	ChEMBL_1839760 (CHEMBL4339975)	Agonist activity at D2 receptor (unknown origin) expressed in CHOK1 cells assessed as increase in calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation under room temperature measured after 20 secs for 100 secs by calcium-4 dye based FLIPR assay
50007494	1	ChEMBL_1839799 (CHEMBL4340014)	Inhibition of IGF1R (unknown origin)
50007494	2	ChEMBL_1839772 (CHEMBL4339987)	Inhibition of PDGFRalpha (unknown origin)
50007494	3	ChEMBL_1839781 (CHEMBL4339996)	Inhibition of INSR (unknown origin)
50007494	4	ChEMBL_1839790 (CHEMBL4340005)	Inhibition of RET (unknown origin)
50007494	5	ChEMBL_1839761 (CHEMBL4339976)	Inhibition of FGFR1 (unknown origin) incubated for 60 mins by caliper microfluidic mobility shift technology based assay
50007494	6	ChEMBL_1839762 (CHEMBL4339977)	Inhibition of FGFR4 (unknown origin) incubated for 60 mins by caliper microfluidic mobility shift technology based assay
50007494	7	ChEMBL_1839770 (CHEMBL4339985)	Inhibition of KDR (unknown origin)
50007494	8	ChEMBL_1839771 (CHEMBL4339986)	Inhibition of ROS (unknown origin)
50007494	9	ChEMBL_1839773 (CHEMBL4339988)	Inhibition of PDGFRbeta (unknown origin)
50007494	10	ChEMBL_1839775 (CHEMBL4339990)	Inhibition of MUSK (unknown origin)
50007494	11	ChEMBL_1839776 (CHEMBL4339991)	Inhibition of JAK2 (unknown origin)
50007494	12	ChEMBL_1839779 (CHEMBL4339994)	Inhibition of EphB1 (unknown origin)
50007494	13	ChEMBL_1839780 (CHEMBL4339995)	Inhibition of HER4 (unknown origin)
50007494	14	ChEMBL_1839782 (CHEMBL4339997)	Inhibition of HER2 (unknown origin)
50007494	15	ChEMBL_1839784 (CHEMBL4339999)	Inhibition of LTK (unknown origin)
50007494	16	ChEMBL_1839785 (CHEMBL4340000)	Inhibition of FLT3 (unknown origin)
50007494	17	ChEMBL_1839787 (CHEMBL4340002)	Inhibition of JAK1 (unknown origin)
50007494	18	ChEMBL_1839789 (CHEMBL4340004)	Inhibition of MET (unknown origin)
50007494	19	ChEMBL_1839791 (CHEMBL4340006)	Inhibition of ZAP70 (unknown origin)
50007494	20	ChEMBL_1839793 (CHEMBL4340008)	Inhibition of FAK (unknown origin)
50007494	21	ChEMBL_1839794 (CHEMBL4340009)	Inhibition of TRKA (unknown origin)
50007494	22	ChEMBL_1839797 (CHEMBL4340012)	Inhibition of ALK (unknown origin)
50007494	23	ChEMBL_1839798 (CHEMBL4340013)	Inhibition of C-KIT (unknown origin)
50007494	24	ChEMBL_1839800 (CHEMBL4340015)	Inhibition of FLT1 (unknown origin)
50007494	25	ChEMBL_1839804 (CHEMBL4340019)	Inhibition of FGFR2 (unknown origin)
50007494	26	ChEMBL_1839805 (CHEMBL4340020)	Inhibition of FGFR3 (unknown origin)
50007494	27	ChEMBL_1839796 (CHEMBL4340011)	Inhibition of RON (unknown origin)
50007494	28	ChEMBL_1839803 (CHEMBL4340018)	Inhibition of FGFR1 (unknown origin)
50007494	29	ChEMBL_1839774 (CHEMBL4339989)	Inhibition of EGFR (unknown origin)
50007494	30	ChEMBL_1839778 (CHEMBL4339993)	Inhibition of EphA1 (unknown origin)
50007494	31	ChEMBL_1839783 (CHEMBL4339998)	Inhibition of SYK (unknown origin)
50007494	32	ChEMBL_1839786 (CHEMBL4340001)	Inhibition of TYK2 (unknown origin)
50007494	33	ChEMBL_1839792 (CHEMBL4340007)	Inhibition of TIE2 (unknown origin)
50007494	34	ChEMBL_1839795 (CHEMBL4340010)	Inhibition of AXL (unknown origin)
50007494	35	ChEMBL_1839801 (CHEMBL4340016)	Inhibition of FLT4 (unknown origin)
50007494	36	ChEMBL_1839777 (CHEMBL4339992)	Inhibition of JAK3 (unknown origin)
50007494	37	ChEMBL_1839788 (CHEMBL4340003)	Inhibition of MAPKAPK3 (unknown origin)
50007494	38	ChEMBL_1839802 (CHEMBL4340017)	Inhibition of MAPKAPK2 (unknown origin)
50007495	1	ChEMBL_1839828 (CHEMBL4340043)	Agonist activity at human FFA1 receptor expressed in CHO cells assessed as increase in intracellular calcium levels measured for 1 hr by Fluo 4-AM dye based FLIPR assay
50007497	1	ChEMBL_1839846 (CHEMBL4340061)	Inhibition of N-terminal GST-tagged recombinant human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as reduction in NADPH production
50007497	2	ChEMBL_1839849 (CHEMBL4340064)	Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA
50007497	3	ChEMBL_1839848 (CHEMBL4340063)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA
50007497	4	ChEMBL_1839845 (CHEMBL4340060)	Inhibition of N-terminal GST-tagged recombinant human AKR1C3 His5Gln mutant expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as reduction in NADPH production
50007498	1	ChEMBL_1839864 (CHEMBL4340079)	Inhibition of recombinant human KDR incubated for 1 hr using Tyr1 substrate by fluorimetry based Z'-LYTE-Tyr1 Peptide assay
50007500	1	ChEMBL_1839876 (CHEMBL4340091)	Inhibition of CSNK1D (unknown origin) using CSNK1D/Ser/Thr 11 peptide incubated for 1 hr by FRET based Z'-LYTE assay
50007503	1	ChEMBL_1839878 (CHEMBL4340093)	Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of cell growth incubated for 72 hrs by presence of doxycycline by MTT assay
50007503	2	ChEMBL_1839877 (CHEMBL4340092)	Inhibition of NHERF1 in human Ls174T cells stably transfected with Dox-inducible shRNA for beta-catenin (Ls174Tsh-beta-Cat) assessed as inhibition of cell growth incubated for 72 hrs by absence of doxycycline by MTT assay
50007503	3	ChEMBL_1839881 (CHEMBL4340096)	Inhibition of NHERF1 in human SW620 cells expressing NHERF1 assessed as inhibition cell growth incubated for 72 hrs by MTT assay
50007504	1	ChEMBL_1839937 (CHEMBL4340152)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50007504	2	ChEMBL_1839935 (CHEMBL4340150)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50007504	3	ChEMBL_1839934 (CHEMBL4340149)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor expressed in HEK293 cell membranes incubated for 90 mins
50007504	4	ChEMBL_1839936 (CHEMBL4340151)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cell membranes incubated for 90 mins
50007506	1	ChEMBL_1839943 (CHEMBL4340158)	Activation of Nrf2 in human HaCaT-ARE-Luc cells expressing Nqo1 ARE-Luc reporter plasmid incubated for 6 hrs by luciferase reporter gene assay
50007507	1	ChEMBL_1840001 (CHEMBL4340216)	Inhibition of pH 6.25-stimulated mouse ASIC1a/2a heterodimer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence assay
50007507	2	ChEMBL_1840000 (CHEMBL4340215)	Inhibition of pH 5.5-stimulated mouse ASIC2a homomer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence assay
50007507	3	ChEMBL_1840004 (CHEMBL4340219)	Inhibition of human ERG incubated for 4 hrs by fluorescence polarization assay
50007507	4	ChEMBL_1839999 (CHEMBL4340214)	Inhibition of pH 6.6-stimulated mouse ASIC1a homomer expressed in CHOK1 cells assessed as reduction in channel activation by VSD fluorescence assay
50007507	5	ChEMBL_1840005 (CHEMBL4340220)	Inhibition of CYP1A2 (unknown origin) using pro-luciferin substrates in presence of NADPH by firefly luciferase reporter gene based P450-Glo assay
50007507	6	ChEMBL_1840006 (CHEMBL4340221)	Inhibition of CYP2D6 (unknown origin) using pro-luciferin substrates in presence of NADPH by firefly luciferase reporter gene based P450-Glo assay
50007508	1	ChEMBL_1840027 (CHEMBL4340242)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay
50007508	2	ChEMBL_1840026 (CHEMBL4340241)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay
50007508	3	ChEMBL_1840025 (CHEMBL4340240)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped flow CO2 hydrase assay
50007508	4	ChEMBL_1840028 (CHEMBL4340243)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins by stopped flow CO2 hydrase assay
50007512	1	ChEMBL_1840046 (CHEMBL4340261)	Agonist activity at PXR (unknown origin) by AlphaScreen assay
50007514	1	ChEMBL_1840052 (CHEMBL4340267)	Displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method based radioligand competitive binding assay
50007514	2	ChEMBL_1840051 (CHEMBL4340266)	Competitive displacement of [11C]GSK1482160 from human recombinant P2X7 receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method based radioligand competitive binding assay
50007516	1	ChEMBL_1840093 (CHEMBL4340308)	Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK-Quencher substrate incubated for 3 hrs by FRET assay
50007517	1	ChEMBL_1840097 (CHEMBL4340312)	Inhibition of PDE4D2 (unknown origin) by preincubated for 30 mins before substrate addition and measured after 60 mins by IMAP TR-FRET phosphodiesterase evaluation assay
50007517	2	ChEMBL_1840096 (CHEMBL4340311)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli strain BL21 using [3H]cAMP as substrate after 15 mins by liquid scintillation counter analysis
50007518	1	ChEMBL_1840161 (CHEMBL4340376)	Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by luciferase reporter gene assay relative to WY-14643
50007518	2	ChEMBL_1840162 (CHEMBL4340377)	Agonist activity at human PPARgamma expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by luciferase reporter gene assay relative to rosiglitazone
50007519	1	ChEMBL_1840229 (CHEMBL4340444)	Inhibition of human recombinant COX2 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA
50007519	2	ChEMBL_1840231 (CHEMBL4340446)	Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 synthesis using arachidonic acid substrate by ELISA
50007519	3	ChEMBL_1840228 (CHEMBL4340443)	Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 production using arachidonic acid substrate by ELISA
50007520	1	ChEMBL_1840282 (CHEMBL4340581)	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay
50007520	2	ChEMBL_1840283 (CHEMBL4340582)	Agonist activity at human beta1 adrenergic receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 60 mins by HTRF assay
50007522	1	ChEMBL_1840409 (CHEMBL4340708)	Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-incubated for 5 mins before 2OG as substrate and Fe2 as co-factor addition in presence of L-ascorbate and measured after 5 mins MALDI TOF MS analysis
50007522	2	ChEMBL_1840410 (CHEMBL4340709)	Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis
50007522	3	ChEMBL_1840412 (CHEMBL4340711)	Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by MALDI-TOF MS analysis
50007522	4	ChEMBL_1840411 (CHEMBL4340710)	Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis
50007522	5	ChEMBL_1840413 (CHEMBL4340712)	Inhibition of recombinant human PHD2 by alphascreen assay
50007524	1	ChEMBL_1840431 (CHEMBL4340730)	Inhibition of recombinant human full-length N-terminal GST-His6-fused CLK1 (M1 to I484 residues) expressed in Sf9 cells using RS-peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	2	ChEMBL_1840423 (CHEMBL4340722)	Inhibition of recombinant human N-terminal GST-His6-fused TRKB C-terminal domain (V526 to G838 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	3	ChEMBL_1840456 (CHEMBL4340755)	Inhibition of recombinant human wild-type full-length MEK1 (M1 to V393 residues) expressed in Sf9 insect cells using ERK2-K54R as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	4	ChEMBL_1840440 (CHEMBL4340739)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused PDGFR-alpha C-terminal domain (Q551 to L1089 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	5	ChEMBL_1840442 (CHEMBL4340741)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused MET C-terminal domain (K956 to S1390 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	6	ChEMBL_1840444 (CHEMBL4340743)	Inhibition of recombinant human full-length untagged ERK2 (M1 to S360 residues) expressed in Escherichia coli using recombinant ELK1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	7	ChEMBL_1840446 (CHEMBL4340745)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused ABL1 internal domain (P118 to S535 residues) expressed in Sf9 insect cells using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	8	ChEMBL_1840447 (CHEMBL4340746)	Inhibition of recombinant human MEK2 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	9	ChEMBL_1840438 (CHEMBL4340737)	Inhibition of recombinant human N-terminal GST-tagged VEGFR1 C-terminal domain (K784 to I1338 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	10	ChEMBL_1840439 (CHEMBL4340738)	Inhibition of recombinant human ROCK1 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	11	ChEMBL_1840435 (CHEMBL4340734)	Inhibition of recombinant human N-terminal GST-His6-fused FGFR2 C-terminal domain (R400 to T822 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	12	ChEMBL_1840434 (CHEMBL4340733)	Inhibition of recombinant human N-terminal GST-His6-fused AKT2 C-terminal domain (A107 to E481 residues) expressed in Sf9 insect cells using GSK3(14-27)tide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	13	ChEMBL_1840433 (CHEMBL4340732)	Inhibition of recombinant human MAP3K10 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	14	ChEMBL_1840430 (CHEMBL4340729)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused FGFR1 C-terminal domain (G400 to R820 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	15	ChEMBL_1840429 (CHEMBL4340728)	Inhibition of recombinant human N-terminal His6-fused PDK1 (M1 to M460 residues) expressed in Sf9 insect cells using tetra(LRRWSLG) peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	16	ChEMBL_1840427 (CHEMBL4340726)	Inhibition of recombinant human N-terminal GST-His6-fused FGFR4 (R391 to T802 residues) expressed in baculovirus infected Sf9 cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	17	ChEMBL_1840426 (CHEMBL4340725)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused EGFR C-terminal domain (H672 to A1210) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	18	ChEMBL_1840421 (CHEMBL4340720)	Inhibition of recombinant human full-length N-terminal GST-His6-fused SRPK1 (M1 to S655 residues) expressed in Sf9 insect cells using RS-peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	19	ChEMBL_1840448 (CHEMBL4340747)	Inhibition of recombinant human CHK2 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	20	ChEMBL_1840449 (CHEMBL4340748)	Inhibition of recombinant human N-terminal GST-His6-fused WEE1 C-terminal domain (Q36 to Y432 residues) expressed in Sf9 cells using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	21	ChEMBL_1840450 (CHEMBL4340749)	Inhibition of recombinant human N-terminal GST-His6-fused PDGFR-beta C-terminal domain (R561 to L1106 residues) expressed in Sf9 insect cells using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	22	ChEMBL_1840453 (CHEMBL4340752)	Inhibition of recombinant human N-terminal FLAG-tagged/C-terminal His8 fused ERK5 internal fragment domain (L5 to Q397 residues) expressed in Sf9 insect ells using RBER-CHKtide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	23	ChEMBL_1840454 (CHEMBL4340753)	Inhibition of recombinant human full-length N-terminal GST-His6-fused CK2-alpha2 (M1 to R350 residues) expressed in Sf9 insect cells using casein as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	24	ChEMBL_1840458 (CHEMBL4340757)	Inhibition of recombinant human full-length N-terminal GST-fused CK2-alpha1 (M1 to Q391 residues) expressed in Sf9 insect cells using casein as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	25	ChEMBL_1840479 (CHEMBL4340778)	Inhibition of recombinant human N-terminal GST-His6 fused VEGFR3 C-terminal domain (N799 to R1298 residues) expressed in baculovirus infected Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	26	ChEMBL_1840443 (CHEMBL4340742)	Inhibition of recombinant human full-length N-terminal GST-His6 fused ERK1 (M1 to P379 residues) expressed in Escherichia coli using RBER-CHKtide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	27	ChEMBL_1840424 (CHEMBL4340723)	Inhibition of recombinant human N-terminal GST-His6-fused ERBB4 C-terminal domain (R676 to V1307 residues) expressed in Sf9 cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	28	ChEMBL_1840459 (CHEMBL4340758)	Inhibition of recombinant human N-terminal GST-fused FAK (2 to 1052 residues) expressed in Sf9 insect cells using Poly(Glu/Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	29	ChEMBL_1840441 (CHEMBL4340740)	Inhibition of recombinant human N-terminal 4xFLAG-tagged/C-terminal His8-fused ERK7 N-terminal domain (M1 to R354 residues) expressed in Sf9 insect cells using RBER-CHKtide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	30	ChEMBL_1840445 (CHEMBL4340744)	Inhibition of recombinant human N-terminal 4xFLAG-tagged/C-terminal His8 fused MAP3K1 C-terminal domain (M1193 to W1512 residues) expressed in Sf9 insect cells using Bio-RS-Peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	31	ChEMBL_1840436 (CHEMBL4340735)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused ERBB2 C-terminal domain (Q679 to V1255 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	32	ChEMBL_1840432 (CHEMBL4340731)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused TRKA C-terminal domain (G443 to G796 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	33	ChEMBL_1840428 (CHEMBL4340727)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused KIT C-terminal domain (T544 to V976 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	34	ChEMBL_1840422 (CHEMBL4340721)	Inhibition of recombinant human wild-type N-terminal GST-His6-fused FGFR3 C-terminal domain (R397 to T806 residues) expressed in Sf9 insect cells using TRK-C derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	35	ChEMBL_1840452 (CHEMBL4340751)	Inhibition of recombinant human full-length untagged p38-alpha (M1 to S360 residues) expressed in Escherichia coli cells using recombinant ATF2 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	36	ChEMBL_1840455 (CHEMBL4340754)	Inhibition of recombinant human MAP3K9 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	37	ChEMBL_1840437 (CHEMBL4340736)	Inhibition of recombinant human N-terminal GST-fused VEGFR2 C-terminal domain (D807 to V1356 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	38	ChEMBL_1840457 (CHEMBL4340756)	Inhibition of recombinant human full-length N-terminal GST-His6-fused AKT2 (M1 to E481 residues) expressed in Sf9 insect cells using GSK3-derived peptide as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007524	39	ChEMBL_1840425 (CHEMBL4340724)	Inhibition of recombinant human full-length N-terminal GST-His6-fused SRC (M1 to L536 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 as substrate measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method
50007525	1	ChEMBL_1840485 (CHEMBL4340784)	Inhibition of recombinant human BACE1 preincubated with enzyme for 20 mins followed by addition of Rh-EVNLDAEFK-Quencher as substrate measured after 60 mins by FRET assay
50007525	2	ChEMBL_1840498 (CHEMBL4340797)	Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured at 1 min time interval by Ellman's method relative to control
50007525	3	ChEMBL_1840499 (CHEMBL4340798)	Inhibition of human serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured at 1 min time interval by Ellman's method relative to control
50007526	1	ChEMBL_1840502 (CHEMBL4340801)	Inhibition of GSK-3beta (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition by caliper assay
50007528	1	ChEMBL_1840545 (CHEMBL4340844)	Inhibition of FITC-geldanamycin binding to recombinant human full-length C-terminal His-tagged HSP90alpha N-terminal domain (1 to 732 residues) expressed in Escherichia coli after 1 hr by fluorescence polarization assay
50007534	1	ChEMBL_1840686 (CHEMBL4340985)	Inhibition of His tagged human recombinant PIM1 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay
50007534	2	ChEMBL_1840685 (CHEMBL4340984)	Inhibition of His tagged human recombinant PIM2 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay
50007534	3	ChEMBL_1840690 (CHEMBL4340989)	Inhibition of human recombinant PIM1 using KKRNRTLTV as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting
50007534	4	ChEMBL_1840683 (CHEMBL4340982)	Inhibition of PIM1 in human NCI-H1299 cells assessed as reduction in BAD phosphorylation at Ser-112 residue incubated for 4 hrs by ELISA
50007534	5	ChEMBL_1840684 (CHEMBL4340983)	Inhibition of N-terminal 6-His tagged human recombinant PIM3 using PIM tide (ARKRRRHPSGPPTA) as substrate incubated for 1 hr by fluorescence based assay
50007534	6	ChEMBL_1840681 (CHEMBL4340980)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 60 mins by fluorescence based assay
50007534	7	ChEMBL_1840679 (CHEMBL4340978)	Inhibition of human ERG incubated for 1 hr by Fluorescence polarization binding assay
50007534	8	ChEMBL_1840688 (CHEMBL4340987)	Inhibition of human recombinant PIM3 using KKRNRTLTV as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting
50007534	9	ChEMBL_1840687 (CHEMBL4340986)	Inhibition of PIM1 (unknown origin) using PIM2tide as substrate in presence of [gamma-33P]ATP incubated for 60 mins by liquid scintillation counting
50007534	10	ChEMBL_1840680 (CHEMBL4340979)	Inhibition of N-terminal GST tagged human recombinant FLT3 using abltide in presence of [gamma-33P]ATP by scintillation counting
50007534	11	ChEMBL_1840689 (CHEMBL4340988)	Inhibition of human recombinant PIM2 using KKRNRTLTV as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting
50007535	1	ChEMBL_1840716 (CHEMBL4341015)	Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting
50007535	2	ChEMBL_1840722 (CHEMBL4341021)	Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increase in DOR/G beta1 protein interaction incubated for 5 mins in presence of coelenterazine by BRET assay
50007535	3	ChEMBL_1840720 (CHEMBL4341019)	Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to Gbeta1 assessed as increase in MOR/G beta1 protein interaction incubated for 5 mins in presence of coelenterazine by BRET assay
50007535	4	ChEMBL_1840717 (CHEMBL4341016)	Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting
50007535	5	ChEMBL_1840715 (CHEMBL4341014)	Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting
50007535	6	ChEMBL_1840721 (CHEMBL4341020)	Agonist activity at Rluc-tagged MOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to MOR/beta-arrestin-2 assessed as increase in MOR/beta-arrestin-2 protein interaction incubated for 5 mins in presence of coelenterazine by BRET assay
50007535	7	ChEMBL_1840723 (CHEMBL4341022)	Agonist activity at Rluc-tagged DOR receptor (unknown origin) expressed in human SH-5YSY cells co-expressing RGFP-fused to beta-arrestin-2 assessed as increase in DOR/beta-arrestin-2 protein interaction incubated for 5 mins in presence of coelenterazine by BRET assay
50007536	1	ChEMBL_1840900 (CHEMBL4341199)	Inhibition of human recombinant HDAC3 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins and measured after 30 mins by fluorescence assay
50007536	2	ChEMBL_1840902 (CHEMBL4341201)	Inhibition of human recombinant HDAC8 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins and measured after 30 mins by fluorescence assay
50007536	3	ChEMBL_1840886 (CHEMBL4341185)	Inhibition of HDAC1 (unknown origin) using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins and measured after 30 mins by fluorescence assay
50007536	4	ChEMBL_1840901 (CHEMBL4341200)	Inhibition of human recombinant HDAC6 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins and measured after 30 mins by fluorescence assay
50007537	1	ChEMBL_1840933 (CHEMBL4341232)	Binding affinity to recombinant human N-terminal TEV cleavage site-fused-His6-tagged MTAP expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL competent cells assessed as reduction in MTA hydrolysis measured after 40 mins in presence of xanthine oxidase
50007538	1	ChEMBL_1840942 (CHEMBL4341241)	Inhibition of recombinant human ACC2 expressed in Sf9 cells using acetyl Co-A as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by RapidFire-Mass spectrometry
50007538	2	ChEMBL_1840943 (CHEMBL4341242)	Inhibition of ACC1 in human HCT116 cells assessed as reduction in [14C]acetate uptake preincubated for 60 mins followed by [14C]acetate addition and measured after 2 hrs by top count scintillation counting method
50007538	3	ChEMBL_1840941 (CHEMBL4341240)	Inhibition of recombinant human ACC1 expressed in Sf9 cells using acetyl Co-A as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by RapidFire-Mass spectrometry
50007539	1	ChEMBL_1841005 (CHEMBL4341304)	Poison activity at recombinant human TOP1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50007539	2	ChEMBL_1841033 (CHEMBL4341332)	Poison activity at TOP1 in human MCF7 cells assessed as decrease in relaxed supercoiled pBS(SK+) DNA mobility measured after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50007541	1	ChEMBL_1841052 (CHEMBL4341351)	Inhibition of JAK3 in human HT-2 cells assessed as reduction in IL-2-induced cell proliferation
50007541	2	ChEMBL_1841045 (CHEMBL4341344)	Inhibition of JAK3 (unknown origin) using TK-substrate-biotin as substrate preincubated for 5 mins followed by substrate addition and measured by 30 mins by HTRF assay
50007541	3	ChEMBL_1841044 (CHEMBL4341343)	Inhibition of JAK2 (unknown origin) using TK-substrate-biotin as substrate preincubated for 5 mins followed by substrate addition and measured by 30 mins by HTRF assay
50007541	4	ChEMBL_1841041 (CHEMBL4341340)	Inhibition of recombinant epitope tagged Tyk2 kinase domain (873 to 1187 residues) (unknown origin) using peptide substrate by fluorescence based assay
50007541	5	ChEMBL_1841050 (CHEMBL4341349)	Inhibition of JAK2 in human TF-1 cells assessed as reduction in GM-CSF-induced cell proliferation
50007541	7	ChEMBL_1841039 (CHEMBL4341338)	Inhibition of recombinant epitope tagged JAK2 kinase domain (828 to 1132 residues) (unknown origin) using peptide substrate by fluorescence based assay
50007541	8	ChEMBL_1841038 (CHEMBL4341337)	Inhibition of recombinant epitope tagged JAK1 kinase domain (837 to 1142 residues) (unknown origin) using peptide substrate by fluorescence based assay
50007541	9	ChEMBL_1841034 (CHEMBL4341333)	Inhibition of human JAK1 kinase-domain using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr by ELISA
50007541	10	ChEMBL_1841047 (CHEMBL4341346)	Inhibition of JAK1 (unknown origin) using TK-substrate-biotin as substrate preincubated for 5 mins followed by substrate addition and measured by 30 mins by HTRF assay
50007541	11	ChEMBL_1841048 (CHEMBL4341347)	Inhibition of Tyk2 (unknown origin)
50007541	12	ChEMBL_1841051 (CHEMBL4341350)	Inhibition of JAK2 V617F mutant in human HEL cells assessed as reduction in cell proliferation
50007541	14	ChEMBL_1841035 (CHEMBL4341334)	Inhibition of human JAK2 kinase-domain using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr by ELISA
50007541	15	ChEMBL_1841040 (CHEMBL4341339)	Inhibition of recombinant epitope tagged JAK3 kinase domain (718 to 1124 residues) (unknown origin) using peptide substrate by fluorescence based assay
50007541	16	ChEMBL_1841037 (CHEMBL4341336)	Inhibition of human TYK2 kinase domain using biotin-IRS1-substrate as substrate incubated for 1 hr by ELISA
50007541	17	ChEMBL_1841049 (CHEMBL4341348)	Inhibition of SYK (unknown origin)
50007541	18	ChEMBL_1841079 (CHEMBL4341378)	Inhibition of human ERG
50007541	19	ChEMBL_1841036 (CHEMBL4341335)	Inhibition of human JAK3 kinase-domain using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr by ELISA
50007542	1	ChEMBL_1841080 (CHEMBL4341379)	Binding affinity to GR (unknown origin)
50007544	1	ChEMBL_1841185 (CHEMBL4341484)	Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay
50007545	1	ChEMBL_1841314 (CHEMBL4341613)	Inhibition of EGFR L858R mutant (unknown origin) using polyE4Y1 as substrate measured after 60 mins
50007546	1	ChEMBL_1841327 (CHEMBL4341626)	Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based high throughput DNA gyrase assay
50007546	2	ChEMBL_1841340 (CHEMBL4341639)	Inhibition of human NaV1.5 expressed in HEK293 cells assessed as decrease in sodium current amplitude at -120 mV holding potential by Qpatch assay
50007546	3	ChEMBL_1841342 (CHEMBL4341641)	Inhibition of human ERG by QPatch assay
50007546	4	ChEMBL_1841339 (CHEMBL4341638)	Inhibition of human DNA topoisomerase 2 alpha using interlinked kDNA as substrate after 30 mins by ethidium bromide staining-based agarose gel electrophoresis method
50007547	1	ChEMBL_1841386 (CHEMBL4341685)	Inhibition of human recombinant N-terminal hexahistidine tagged JAK1 JH1 catalytic domain (854 to 1154 residues) expressed in baculovirus infected Sf9 cells using Tyr6 peptide as substrate incubated for 30 secs under shaking condition measured after 1 hr by Z'-LYTE assay
50007547	2	ChEMBL_1841389 (CHEMBL4341688)	Inhibition of human recombinant C-terminal hexahistidine tagged JAK3 JH1 catalytic domain (811 to 1124 residues) expressed in baculovirus infected Sf9 cells using Tyr6 peptide as substrate incubated for 30 secs under shaking condition measured after 1 hr by Z'-LYTE assay
50007547	3	ChEMBL_1841388 (CHEMBL4341687)	Inhibition of human recombinant N-terminal hexahistidine tagged JAK2 JH1 catalytic domain (835 to 1132 residues) expressed in baculovirus infected Sf9 cells using Tyr6 peptide as substrate incubated for 30 secs under shaking condition measured after 1 hr by Z'-LYTE assay
50007547	4	ChEMBL_1841390 (CHEMBL4341689)	Inhibition of TYK2 (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50007547	5	ChEMBL_1841384 (CHEMBL4341683)	Binding affinity to human recombinant N-terminal hexahistidine tagged JAK2 JH1 catalytic domain (835 to 1132 residues) expressed in baculovirus infected Sf9 cells assessed as dissociation constant by surface plasmon resonance assay
50007547	6	ChEMBL_1841381 (CHEMBL4341680)	Inhibition of recombinant human N-terminal epitope-tagged JAK2 (828 to 1132 residues) expressed in baculovirus infected Sf21 insect cells using EQEDEPEGDYFEWLE as substrate after 1 hr by homogeneous time-resolved fluorescence assay
50007548	1	ChEMBL_1841425 (CHEMBL4341724)	Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC as substrate measured for every 2 mins for 60 mins by fluorescence-based microplate reader analysis
50007549	1	ChEMBL_1841432 (CHEMBL4341731)	Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition of RORGgammat driven transcriptional activity after 24 hrs by dual-luciferase reporter gene assay
50007549	2	ChEMBL_1841433 (CHEMBL4341732)	Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed as equilibrium binding constants by fluorescence-based thermal shift assay
50007549	3	ChEMBL_1841426 (CHEMBL4341725)	Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition of RORGgammat driven transcriptional activity after 24 hrs by dual-luciferase reporter gene assay
50007549	4	ChEMBL_1841438 (CHEMBL4341737)	Agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as increase in RORGgammat driven transcriptional activity after 24 hrs by dual-luciferase reporter gene assay
50007549	5	ChEMBL_1841441 (CHEMBL4341740)	Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by measuring reduction in IL-17 level after 1 hr
50007550	1	ChEMBL_1841473 (CHEMBL4341772)	Inhibition of human MNK1 using CREBtide substrate by gamma-[32P]-ATP competitive inhibition assay
50007553	1	ChEMBL_1841510 (CHEMBL4341809)	Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50007556	1	ChEMBL_1841511 (CHEMBL4341810)	Inhibition of N-terminal 6-His tagged full length Pin1 (unknown origin) expressed in Escherichia coli using Suc-AEPF-pNA as substrate preincubated for 10 mins followed by substrate addition and measured for 180 secs by spectrophotometry
50007557	1	ChEMBL_1841527 (CHEMBL4341826)	Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after 24 hrs
50007557	2	ChEMBL_1841526 (CHEMBL4341825)	Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment by Lanthascreen TR-FRET assay
50007558	1	ChEMBL_1841560 (CHEMBL4341859)	Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay
50007558	2	ChEMBL_1841561 (CHEMBL4341860)	Inhibition of PI3Kbeta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay
50007558	3	ChEMBL_1841563 (CHEMBL4341862)	Inhibition of PI3Kdelta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay
50007558	4	ChEMBL_1841562 (CHEMBL4341861)	Inhibition of PI3Kgamma (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs by fluorescence polarization assay
50007559	1	ChEMBL_1841591 (CHEMBL4341890)	Antagonist activity at rat P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye and BzATP addition measured after 30 mins by fluorescence assay
50007559	2	ChEMBL_1841592 (CHEMBL4341891)	Antagonist activity at mouse P2X7 receptor assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye and BzATP addition measured after 30 mins by fluorescence assay
50007559	3	ChEMBL_1841585 (CHEMBL4341884)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mins followed by YO PRO dye and BzATP addition measured after 30 mins by fluorescence assay
50007559	4	ChEMBL_1841586 (CHEMBL4341885)	Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by BzATP stimulation and measured after 30 mins by sandwich ELISA
50007560	1	ChEMBL_1841676 (CHEMBL4341975)	Inhibition of human recombinant His-tagged cMET expressed in baculovirus expression system reduction in phosphorylation using tyrosine 6 peptide as substrate after 60 mins FRET based Z'-LYTE assay
50007560	2	ChEMBL_1841678 (CHEMBL4341977)	Inhibition of human recombinant GST-tagged EGFR L858R/T790M mutant expressed in baculovirus expression system reduction in phosphorylation using tyrosine 4 peptide as substrate after 60 mins FRET based Z'-LYTE assay
50007560	3	ChEMBL_1841677 (CHEMBL4341976)	Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system reduction in phosphorylation using tyrosine 4 peptide as substrate after 60 mins FRET based Z'-LYTE assay
50007561	1	ChEMBL_1841680 (CHEMBL4341979)	Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay
50007561	2	ChEMBL_1841682 (CHEMBL4341981)	Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Mcl1 (unknown origin) by fluorescence polarization assay
50007561	3	ChEMBL_1841681 (CHEMBL4341980)	Inhibition of 5-FAM-tagged Bid-BH3 peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay
50007562	1	ChEMBL_1841707 (CHEMBL4342006)	Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	2	ChEMBL_1841716 (CHEMBL4342015)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	3	ChEMBL_1841721 (CHEMBL4342020)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	4	ChEMBL_1841713 (CHEMBL4342012)	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	5	ChEMBL_1841714 (CHEMBL4342013)	Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	6	ChEMBL_1841715 (CHEMBL4342014)	Inhibition of RON (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	7	ChEMBL_1841717 (CHEMBL4342016)	Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	8	ChEMBL_1841718 (CHEMBL4342017)	Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	9	ChEMBL_1841719 (CHEMBL4342018)	Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007562	10	ChEMBL_1841720 (CHEMBL4342019)	Inhibition of FLT1 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay
50007567	1	ChEMBL_1841760 (CHEMBL4342059)	Inhibition of GABA aminotransferase in mouse brain homogenates using GABA and alpha-ketoglutarate as substrates preincubated for 30 mins followed by beta-NADP addition and measured for 20 mins by spectrophotometric method
50007568	1	ChEMBL_1841774 (CHEMBL4342073)	Inhibition of ROCK2 (unknown origin) using 2-biotin as substrate measured after 15 to 60 mins by HTRF assay
50007569	1	ChEMBL_1841861 (CHEMBL4342160)	Inhibition of human NPP1 expressed in African green monkey COS7 cell membranes pre-incubated for 10 mins before pNP-TMP substrate addition and further incubated for 15 mins by colorimetric method
50007569	2	ChEMBL_1841863 (CHEMBL4342162)	Inhibition of human NPP3 expressed in African green monkey COS7 cell membranes pre-incubated for 10 mins before pNP-TMP substrate addition and further incubated for 15 mins by colorimetric method
50007569	3	ChEMBL_1841862 (CHEMBL4342161)	Inhibition of human NPP2 expressed in African green monkey COS7 cell membranes pre-incubated for 5 mins before pNP-TMP substrate addition and further incubated for 35 mins by colorimetric method
50007571	1	ChEMBL_1841901 (CHEMBL4342200)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50007571	2	ChEMBL_1841904 (CHEMBL4342203)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 10 mins by liquid scintillation counting method
50007571	3	ChEMBL_1841903 (CHEMBL4342202)	Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as reduction in NO711 binding at incubated for 4 hrs in presence of NO711 by LC-ESI-MS/MS analysis relative to control
50007574	1	ChEMBL_1841913 (CHEMBL4342212)	Induction of GLUT4 translocation in rat L6-GLUT4myc differentiated myotube cells after 20 mins by chemiluminescent method
50007575	1	ChEMBL_1841934 (CHEMBL4342233)	Inhibition of His-tagged DUSP1 catalytic domain (152 to 323 residues) (unknown origin) using DiFMUP as substrate incubated for 30 mins by spectrofluorometric analysis
50007578	1	ChEMBL_1841951 (CHEMBL4342250)	Antagonist activity at mineralocorticoid receptor (unknown origin)
50007578	2	ChEMBL_1841970 (CHEMBL4342269)	Binding affinity to glucocorticoid receptor (unknown origin) by gel filtration assay
50007578	3	ChEMBL_1841953 (CHEMBL4342252)	Binding affinity to mineralocorticoid receptor (unknown origin)
50007579	1	ChEMBL_1842015 (CHEMBL4342314)	Inhibition of electric eel AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate addition and measured after 15 mins by Ellman's method
50007579	2	ChEMBL_1842016 (CHEMBL4342315)	Inhibition of equine serum BuChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate addition and measured after 15 mins by Ellman's method
50007579	3	ChEMBL_1842017 (CHEMBL4342316)	Mixed type inhibition of electric eel AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate addition and measured after 15 mins by modified Ellman's method baaed Lineweaver-Burk plot analysis
50007579	4	ChEMBL_1842023 (CHEMBL4342322)	Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after 90 mins by FRET assay relative to control
50007581	1	ChEMBL_1842027 (CHEMBL4342326)	Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay
50007582	1	ChEMBL_1842051 (CHEMBL4342350)	Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate
50007582	2	ChEMBL_1842048 (CHEMBL4342347)	Non-competitive inhibition of Leishmania amazonensis arginase using L-arginine as substrate incubated for 15 mins
50007583	1	ChEMBL_1842058 (CHEMBL4342357)	Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cell membranes by radioligand displacement assay
50007583	2	ChEMBL_1842056 (CHEMBL4342355)	Inhibition of histamine H3 receptor (unknown origin)
50007583	3	ChEMBL_1842057 (CHEMBL4342356)	Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displacement assay based Cheng-Prusoff equation analysis
50007584	1	ChEMBL_1842061 (CHEMBL4342360)	Inhibition of purified recombinant human IDO1 using L-tryptophan substrate incubated fro 30 mins
50007584	2	ChEMBL_1842062 (CHEMBL4342361)	Inhibition of IDO1 in interferon-gamma-induced human HeLa cells using L-tryptophan substrate incubated for 24 hrs
50007585	1	ChEMBL_1842064 (CHEMBL4342363)	Inhibition of human beta-glucuronidase pre-incubated for 30 mins before p-nitrophenyl-beta-D-glucuronide substrate addition by spectrophotometry
50007586	1	ChEMBL_1842065 (CHEMBL4342364)	Inhibition of alpha-synuclein aggregation (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 days by thioflavin T fluorescence assay
50007589	1	ChEMBL_1842069 (CHEMBL4342368)	Displacement of [3H]strychnine from human glycine receptor subunit alpha-1 expressed in HEK293 cell membranes
50007589	2	ChEMBL_1842071 (CHEMBL4342370)	Antagonist activity at human glycine receptor subunit alpha-1beta expressed in human tsA201 cells assessed as reduction in glycine-induced response by fluorescence-based FLIPR membrane potential blue assay
50007589	3	ChEMBL_1842070 (CHEMBL4342369)	Antagonist activity at human glycine receptor subunit alpha-1 expressed in human tsA201 cells assessed as reduction in glycine-induced response by fluorescence-based FLIPR membrane potential blue assay
50007589	4	ChEMBL_1842073 (CHEMBL4342372)	Antagonist activity at human glycine receptor subunit alpha-1beta expressed in HEK293 cells assessed as reduction in glycine-induced whole cell currents by patch-clamp technique
50007589	5	ChEMBL_1842072 (CHEMBL4342371)	Antagonist activity at human glycine receptor subunit alpha-1 expressed in HEK293 cells assessed as reduction in glycine-induced whole cell currents by patch-clamp technique
50007592	1	ChEMBL_1842106 (CHEMBL4342533)	Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate incubated for 20 mins by fluorescence based assay
50007592	2	ChEMBL_1842102 (CHEMBL4342529)	Inhibition of cathepsin B (unknown origin) assessed as reduction in 7-amino-4-methylcoumarin formation using Z-Arg-Arg-MCA as substrate preincubated for 3 mins followed by substrate addition and measured after 10 mins by fluorescence spectrometric method
50007592	3	ChEMBL_1842107 (CHEMBL4342534)	Inhibition of human liver cathepsin B using Z-Phe-Arg-AMC as substrate incubated for 30 mins by fluorescence based assay
50007592	4	ChEMBL_1842110 (CHEMBL4342537)	Inhibition of human liver cathepsin B using Z-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorometric method
50007592	5	ChEMBL_1842109 (CHEMBL4342536)	Inhibition of cathepsin B (unknown origin) using p-nitroanilide as substrate by UV spectroscopic method
50007593	1	ChEMBL_1842112 (CHEMBL4342539)	Inhibition of CDK5/p25 (unknown origin) expressed in Escherichia coli using histone as substrate in presence of [gamma32P]ATP after 10 mins by scintillation counting method
50007593	2	ChEMBL_1842125 (CHEMBL4342552)	Inhibition of human FLT3 expressed in mouse BAF3 cells assessed as reduction in tyrphostin activity incubated for 2 hrs followed by FLT3 ligand stimulation by immunoblot analysis
50007593	3	ChEMBL_1842127 (CHEMBL4342554)	Inhibition of EGFR in human A431 cells incubated for 2 hrs followed by EGF stimulation and measured after 10 mins by immunoblot assay
50007593	4	ChEMBL_1842129 (CHEMBL4342556)	Inhibition of IGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate
50007593	5	ChEMBL_1842111 (CHEMBL4342538)	Inhibition of GSK3beta (unknown origin) using GS-1 peptide as a substrate after 30 mins in presence of [gamma32P]ATP by scintillation counting method
50007593	6	ChEMBL_1842128 (CHEMBL4342555)	Inhibition of SRC in transformed mouse NIH3T3 cells by SDS-PAGE based immunoblot assay
50007593	7	ChEMBL_1842124 (CHEMBL4342551)	Inhibition of c-KIT in human M-07e cells assessed as reduction in tyrphostin activity incubated for 2 hrs followed by KIT ligand stimulation by immunoblotting analysis
50007593	8	ChEMBL_1842126 (CHEMBL4342553)	Inhibition of human PDGFR beta
50007594	1	ChEMBL_1842203 (CHEMBL4342630)	Inhibition of human BACE1 catalytic domain preincubated for 30 mins followed by QSY7-EISEVNLDAEFC-Europium-amide substrate addition and measured after 1.5 hrs by HTRF assay
50007594	2	ChEMBL_1842204 (CHEMBL4342631)	Inhibition of human BACE2 preincubated for 30 mins followed by QSY7- EISEVNLDAEFC-Eu-amide substrate addition and measured after 1.5 hrs by HTRF assay
50007594	3	ChEMBL_1842227 (CHEMBL4342654)	Inhibition of BACE1 (unknown origin) expressed in CHO-K1 cells using Biotin-GLTNIKTEEISEISYAEVEFR-C[Oregon Green]KK-OH as substrate incubated for 3 hrs by fluorescence polarization
50007594	4	ChEMBL_1842197 (CHEMBL4342624)	Inhibition of human BACE1 using Biotin-XSEVNLDAEFRHDSGC as substrate incubated for 3.5 hrs by fluorescence method
50007594	5	ChEMBL_1842199 (CHEMBL4342626)	Inhibition of recombinant Cathepsin D (unknown origin) expressed in CHO cells preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007594	6	ChEMBL_1842219 (CHEMBL4342646)	Inhibition of BACE1 (unknown origin) incubated for 120 mins using APP swedish mutant as substrate by FRET assay
50007594	7	ChEMBL_1842190 (CHEMBL4342617)	Inhibition of human BACE1 expressed in baculovirus expression system using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as substrate incubated for 1 hr by fluorescence method
50007594	8	ChEMBL_1842184 (CHEMBL4342611)	Inhibition of BACE1 in human SH-SY5Y cells expressing betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 24 hrs by HTRF assay
50007594	9	ChEMBL_1842180 (CHEMBL4342607)	Inhibition of C-terminal His6-tagged human BACE1 expressed in mammalian expression system preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007594	10	ChEMBL_1842177 (CHEMBL4342604)	Inhibition of human BACE2 expressed in HEK293 cells incubated for 16 to 24 hrs by FRET assay
50007594	11	ChEMBL_1842173 (CHEMBL4342600)	Inhibition of BACE1 in Wistar rat neuronal cell suspension after 1 to 3 days by ELISA
50007594	13	ChEMBL_1842167 (CHEMBL4342594)	Inhibition of BACE1 (unknown origin)
50007594	14	ChEMBL_1842191 (CHEMBL4342618)	Inhibition of human BACE2 expressed in baculovirus expression system using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as substrate incubated for 1 hr by fluorescence method
50007594	15	ChEMBL_1842189 (CHEMBL4342616)	Inhibition of BACE1 in human SK-N-BE(2) cells expressing human APP695 assessed as reduction in amyloidbeta level incubated for 18 hrs by sandwich ELISA
50007594	16	ChEMBL_1842188 (CHEMBL4342615)	Inhibition of recombinant BACE2 (unknown origin) incubated for 145 mins by FRET assay
50007594	17	ChEMBL_1842187 (CHEMBL4342614)	Inhibition of recombinant BACE1 (unknown origin) incubated for 145 mins by FRET assay
50007594	18	ChEMBL_1842185 (CHEMBL4342612)	Inhibition of BACE2 (unknown origin)
50007594	19	ChEMBL_1842183 (CHEMBL4342610)	Inhibition of human BACE1 using Biotin-XSEVNLDAEFRHDSGC as substrate incubated for 2 hrs by fluorescence method
50007594	20	ChEMBL_1842181 (CHEMBL4342608)	Inhibition of C-terminal His6-tagged human BACE2 expressed in mammalian expression system preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007594	21	ChEMBL_1842179 (CHEMBL4342606)	Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells after 16 to 24 hrs by FRET assay
50007594	22	ChEMBL_1842176 (CHEMBL4342603)	Inhibition of BACE1 in human SH-SY5Y cells transfected with APP695 assessed as reduction in amyloidbeta (1 to 40 residues) incubated for 24 hrs by sandwich ELlSA
50007594	23	ChEMBL_1842175 (CHEMBL4342602)	Inhibition of human BACE2 expressed in HEK293 cells after 4 hrs by ELISA
50007594	24	ChEMBL_1842174 (CHEMBL4342601)	Inhibition of human BACE1 expressed in HEK293 cells incubated for 16 to 24 hrs by FRET assay
50007594	26	ChEMBL_1842171 (CHEMBL4342598)	Inhibition of BACE1 in human H4 cells transfected with APP751 assessed as reduction in amyloidbeta level incubated for 19 hrs
50007594	27	ChEMBL_1842192 (CHEMBL4342619)	Inhibition of BACE1 in CHO cells expressing human APP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 24 hrs by immunoassay method
50007594	28	ChEMBL_1842193 (CHEMBL4342620)	Inhibition of BACE1 in HEK293 cells harboring APP assessed as reduction in amyloidbeta 40 level incubated for 18 to 20 hrs by AlphaLISA Assay
50007594	29	ChEMBL_1842194 (CHEMBL4342621)	Inhibition of BACE1 in HEK293 cells harboring APP695 assessed as reduction in amyloidbeta 40 level incubated for 18 to 20 hrs by ELISA
50007594	30	ChEMBL_1842202 (CHEMBL4342629)	Inhibition of human BACE2 by FRET assay
50007594	31	ChEMBL_1842210 (CHEMBL4342637)	Inhibition of BACE1 (unknown origin) assessed as reduction in amyloidbeta 40 level after 24 hrs by HTRF assay
50007594	32	ChEMBL_1842211 (CHEMBL4342638)	Displacement of [3H]-N-(1S,2R)-1-benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N-((R)-1-phenyl-ethyl)-isophthalamide) from human BACE1 expressed in HEK293 cells incubated for 1 hr by SPA-based assay
50007594	33	ChEMBL_1842220 (CHEMBL4342647)	Inhibition of BACE2 (unknown origin) incubated for 450 mins using APP swedish mutant as substrate by FRET assay
50007594	34	ChEMBL_1842225 (CHEMBL4342652)	Inhibition of human BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate incubated for 3 hrs by fluorescence method
50007594	35	ChEMBL_1842226 (CHEMBL4342653)	Inhibition of human BACE1 expressed in Escherichia coli preincubated for 1 hr followed by Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dnp)-OH substrate addition by spectroflurimetric assay
50007594	36	ChEMBL_1842228 (CHEMBL4342655)	Inhibition of BACE1 in human H4 cells transfected with APP695 assessed as reduction in APP level incubated for 18 hrs by ELISA
50007594	37	ChEMBL_1842230 (CHEMBL4342657)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by patch clamp method
50007594	38	ChEMBL_1842198 (CHEMBL4342625)	Inhibition of BACE1 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007594	39	ChEMBL_1842224 (CHEMBL4342651)	Inhibition of BACE1 in human SK-N-BE(2) cells expressing human APP695 assessed as reduction in amyloidbeta (1 to 42 residues) level incubated for 18 hrs by sandwich ELISA
50007594	40	ChEMBL_1842201 (CHEMBL4342628)	Inhibition of human BACE2 (1 to 460 residues) expressed in HEK293 cells incubated for 16 to 24 hrs by FRET assay
50007594	41	ChEMBL_1842200 (CHEMBL4342627)	Inhibition of human BACE1 by FRET assay
50007595	1	ChEMBL_1842255 (CHEMBL4342682)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50007595	2	ChEMBL_1842296 (CHEMBL4342723)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by Ellman's method
50007595	3	ChEMBL_1842306 (CHEMBL4342733)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured at 1 min intervals by Ellman's method
50007595	4	ChEMBL_1842237 (CHEMBL4342664)	Inhibition of rat serum butyrylcholinesterase using butyrylthiocholine as substrate in presence of AChE inhibitor BW284C51 by spectrophotometric method
50007595	5	ChEMBL_1842245 (CHEMBL4342672)	Inhibition of human acetylcholinesterase using acetylthiocholine as substrate pretreated followed by substrate addition and measured after 15 mins by Ellman's method
50007595	6	ChEMBL_1842311 (CHEMBL4342738)	Inhibition of human acetylcholinesterase expressed in HEK 293 cells using acetylthiocholine iodide as substrate by Ellman's method
50007595	7	ChEMBL_1842247 (CHEMBL4342674)	Inhibition of human butyrylcholinesterase using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 15 mins by Ellman's method
50007595	8	ChEMBL_1842235 (CHEMBL4342662)	Inhibition of human Cholinesterase
50007595	9	ChEMBL_1842261 (CHEMBL4342688)	Inhibition of human Acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins by Ellman's method
50007595	10	ChEMBL_1842258 (CHEMBL4342685)	Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method
50007595	11	ChEMBL_1842310 (CHEMBL4342737)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50007595	12	ChEMBL_1842270 (CHEMBL4342697)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method
50007595	13	ChEMBL_1842292 (CHEMBL4342719)	Inhibition of rat brain MAO-B using 14C-phenylethylamine as substrate preincubated for 60 mins followed by substrate addition and measured after 20 mins by liquid scintillation counting method
50007595	14	ChEMBL_1842294 (CHEMBL4342721)	Inhibition of rat synaptosome SERT assessed as reduction in [3H]5-HT uptake
50007595	15	ChEMBL_1842264 (CHEMBL4342691)	Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by Ellman's method
50007595	16	ChEMBL_1842234 (CHEMBL4342661)	Inhibition of human acetylcholinesterase
50007595	17	ChEMBL_1842236 (CHEMBL4342663)	Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine by spectrophotometric method
50007595	18	ChEMBL_1842239 (CHEMBL4342666)	Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50007595	19	ChEMBL_1842241 (CHEMBL4342668)	Inhibition human BACE1 expressed in baculovirus expression system using Panvera peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by spectrofluorometric assay
50007595	20	ChEMBL_1842244 (CHEMBL4342671)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by Ellman's method
50007595	21	ChEMBL_1842246 (CHEMBL4342673)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated followed by substrate addition and measured after 2 mins by Ellman's method
50007595	22	ChEMBL_1842253 (CHEMBL4342680)	Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50007595	23	ChEMBL_1842256 (CHEMBL4342683)	Inhibition of human plasma butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by Ellman's method
50007595	24	ChEMBL_1842260 (CHEMBL4342687)	Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate by Ellman's method
50007595	25	ChEMBL_1842262 (CHEMBL4342689)	Inhibition of bovine erythrocyte acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins by Ellman's method
50007595	26	ChEMBL_1842263 (CHEMBL4342690)	Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50007595	27	ChEMBL_1842268 (CHEMBL4342695)	Inhibition of rat cortex homogenate acetylcholinesterase by Ellman's method
50007595	28	ChEMBL_1842269 (CHEMBL4342696)	Inhibition of rat serum butyrylcholinesterase by Ellman's method
50007595	29	ChEMBL_1842272 (CHEMBL4342699)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by Ellman's method
50007595	30	ChEMBL_1842275 (CHEMBL4342702)	Inhibition of human serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition preincubated for 20 mins followed by substrate addition by Ellman's method
50007595	31	ChEMBL_1842282 (CHEMBL4342709)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition and measured up to 180 secs by Ellman's method
50007595	32	ChEMBL_1842283 (CHEMBL4342710)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition and measured up to 180 secs by Ellman's method
50007595	33	ChEMBL_1842290 (CHEMBL4342717)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated 60 mins followed by substrate addition by Ellman's method
50007595	34	ChEMBL_1842291 (CHEMBL4342718)	Inhibition of rat brain MAO-A using 14C-5-hydroxytryptamine creatinine disulfate as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50007595	35	ChEMBL_1842293 (CHEMBL4342720)	Inhibition of mouse brain acetylcholinesterase by Ellman's method
50007595	36	ChEMBL_1842295 (CHEMBL4342722)	Inhibition of human SH-SY5Y cell lysate acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50007595	37	ChEMBL_1842297 (CHEMBL4342724)	Inhibition of equine serum BuChE preincubated for 15 mins followed by substrate addition and measured after 15 mins by Ellman's method
50007595	38	ChEMBL_1842298 (CHEMBL4342725)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50007595	39	ChEMBL_1842303 (CHEMBL4342730)	Inhibition of human acetylcholinesterase by Ellman's method
50007595	40	ChEMBL_1842305 (CHEMBL4342732)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 15 mins by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50007595	41	ChEMBL_1842309 (CHEMBL4342736)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50007595	42	ChEMBL_1842312 (CHEMBL4342739)	Inhibition of human plasma butyrylcholinesterase by Ellman's method
50007595	43	ChEMBL_1842313 (CHEMBL4342740)	Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
50007595	44	ChEMBL_1842289 (CHEMBL4342716)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate preincubated for 60 mins followed by substrate addition by Ellman's method
50007595	45	ChEMBL_1842314 (CHEMBL4342741)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50007595	46	ChEMBL_1842279 (CHEMBL4342706)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50007595	47	ChEMBL_1842280 (CHEMBL4342707)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50007595	48	ChEMBL_1842285 (CHEMBL4342712)	Inhibition of human butyrylcholinesterase
50007595	49	ChEMBL_1842304 (CHEMBL4342731)	Inhibition of human butyrylcholinesterase by Ellman's method
50007595	50	ChEMBL_1842233 (CHEMBL4342660)	Inhibition of HFIP pretreated amyloid beta (1-42) (unknown origin) self aggregation by thioflavin T based fluorescence assay
50007595	51	ChEMBL_1842238 (CHEMBL4342665)	Inhibition of human Acetylcholinesterase using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50007595	52	ChEMBL_1842250 (CHEMBL4342677)	Inhibition of rat cortex acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50007595	53	ChEMBL_1842254 (CHEMBL4342681)	Inhibition of SERT (unknown origin) expressed in HEK293 cells assessed as reduction in 5-HT reuptake incubated for 30 mins followed by centrifugation for 15 secs and measured after 30 mins
50007595	54	ChEMBL_1842300 (CHEMBL4342727)	Inhibition of rat serum butyrylcholinesterase using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50007595	55	ChEMBL_1842308 (CHEMBL4342735)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradish peroxidase coupled fluorescence assay
50007595	56	ChEMBL_1842273 (CHEMBL4342700)	Inhibition of human plasma butyrylcholinesterase using butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by Ellman's method
50007595	57	ChEMBL_1842278 (CHEMBL4342705)	Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50007600	1	ChEMBL_1842316 (CHEMBL4342743)	Binding affinity to BCL-XL (unknown origin) by 15N HSQC NMR analysis
50007600	2	ChEMBL_1842324 (CHEMBL4342751)	Inhibition of BRD4 bromodomain-1 (unknown origin) by TR-FRET assay
50007600	3	ChEMBL_1842317 (CHEMBL4342744)	Inhibition of BCL-XL (unknown origin) incubated for 15 mins by fluorescence polarization assay
50007600	4	ChEMBL_1842325 (CHEMBL4342752)	Binding affinity to HSP90 (unknown origin) by WaterLOGSY NMR analysis
50007600	5	ChEMBL_1842326 (CHEMBL4342753)	Inhibition of CIAP1 (unknown origin)
50007600	6	ChEMBL_1842321 (CHEMBL4342748)	Inhibition of BCL-XL (unknown origin) by fluorescence polarization assay
50007600	7	ChEMBL_1842322 (CHEMBL4342749)	Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay
50007600	8	ChEMBL_1842323 (CHEMBL4342750)	Inhibition of BCL-W (unknown origin) by fluorescence polarization assay
50007600	9	ChEMBL_1842315 (CHEMBL4342742)	Inhibition of XIAP (unknown origin)
50007603	1	ChEMBL_1842339 (CHEMBL4342766)	Inhibition of EGFR T790M mutant (unknown origin) incubated for 60 mins by ADP-Glo kinase assay
50007604	1	ChEMBL_1842354 (CHEMBL4342781)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 insect cells using GST-Rb as substrate in presence of [33P] ATP incubated for 30 mins
50007604	2	ChEMBL_1842421 (CHEMBL4342848)	Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cells by radioligand competitive binding assay
50007604	3	ChEMBL_1842419 (CHEMBL4342846)	Displacement of [3H]-CCPA binding from human A1 receptor expressed in CHO cells by radioligand competitive binding assay
50007604	4	ChEMBL_1842420 (CHEMBL4342847)	Displacement of [3H]-NECA from human A2A receptor expressed in CHO cells by radioligand competitive binding assay
50007604	5	ChEMBL_1842350 (CHEMBL4342777)	Inhibition of 5-HT2B receptor (unknown origin)
50007604	6	ChEMBL_1842352 (CHEMBL4342779)	Inhibition of N-terminal GST-tagged human VEGFR2 (805 to 1356 residues) expressed in a baculovirus infected Sf9 insect cell by Kinase-Glo Plus reagent-based luminescence assay
50007604	7	ChEMBL_1842353 (CHEMBL4342780)	Inhibition of CDK4/cyclin D1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using GST-Rb as substrate in presence of [33P] ATP incubated for 30 mins
50007606	1	ChEMBL_1842436 (CHEMBL4342863)	Inhibition of EGFR in human MDA-MB-468 cells assessed as reduction in cell proliferation incubated for 72 hrs by Coulter counter method
50007606	2	ChEMBL_1842443 (CHEMBL4342870)	Inhibition of EGFR (unknown origin) assessed as reduction of phosphorylation of Crk incubated for 10 mins in ice with gamma-ATP followed by incubated for 20 mins in 30 degC by radioactive phosphorylation assay
50007606	3	ChEMBL_1842482 (CHEMBL4342909)	Inhibition of HER2 (unknown origin)
50007606	4	ChEMBL_1842451 (CHEMBL4342878)	Inhibition of HER4 (unknown origin)
50007606	5	ChEMBL_1842463 (CHEMBL4342890)	Inhibition of human recombinant Src expressed in baculovirus infected Sf9 insect cells assessed as reduction in phosphorylation of polyglutamic acid/tyrosine incubated for 15 mins by ELISA
50007606	6	ChEMBL_1842432 (CHEMBL4342859)	Inhibition of EGFR (unknown origin)
50007606	7	ChEMBL_1842433 (CHEMBL4342860)	Inhibition of EGFR in human A431 cells assessed as reduction in cell proliferation incubated for 72 hrs by Coulter counter method
50007606	8	ChEMBL_1842434 (CHEMBL4342861)	Inhibition of EGFR in human DIFI cells assessed as reduction in cell proliferation incubated for 72 hrs by Coulter counter method
50007606	9	ChEMBL_1842435 (CHEMBL4342862)	Inhibition of EGFR in human DU145 cells assessed as reduction in cell proliferation incubated for 72 hrs by Coulter counter method
50007606	10	ChEMBL_1842438 (CHEMBL4342865)	Inhibition of EGFR (unknown origin) expressed in baculovirus system assessed as reduction in phosphorylation of Peptide A incubated for 10 mins by scintillation counting
50007606	11	ChEMBL_1842439 (CHEMBL4342866)	Inhibition of human recombinant GST-tagged EGFR using pEY as substrate incubated for 30 mins by ELISA
50007606	12	ChEMBL_1842440 (CHEMBL4342867)	Inhibition of human recombinant GST-tagged EGFR L858R mutant using pEY as substrate incubated for 30 mins by ELISA
50007606	13	ChEMBL_1842429 (CHEMBL4342856)	Inhibition of EGFR (unknown origin) expressed in insect cells by ELISA
50007606	14	ChEMBL_1842442 (CHEMBL4342869)	Inhibition of HER2 (unknown origin) expressed in insect cells by ELISA
50007606	15	ChEMBL_1842445 (CHEMBL4342872)	Inhibition of HER2 (unknown origin) assessed as reduction of phosphorylation of polyglutamic acid/tyrosine incubated for 10 mins by beta scintillation counter
50007606	16	ChEMBL_1842446 (CHEMBL4342873)	Inhibition of recombinant GST-tagged HER2 (unknown origin) (catalytic domain 675 to 1225) residues expressed in baculovirus-infected Sf9 cells assessed as reduction of phosphorylation of polyglutamic acid/tyrosine incubated for 25 mins by spectrometery
50007606	17	ChEMBL_1842447 (CHEMBL4342874)	Inhibition of human recombinant GST-tagged EGFR L858R/T790M mutant (catalytic domain 695 to end) expressed in baculovirus-infected Sf9 cells assessed as reduction in phosphorylation of polyglutamic acid/tyrosine incubated for 60 mins by ADP-Glo assay
50007606	18	ChEMBL_1842449 (CHEMBL4342876)	Inhibition of human recombinant full length EGFR using polyglutamic acid/tyrosine as substrate by spectrophotometry
50007606	19	ChEMBL_1842450 (CHEMBL4342877)	Inhibition of human recombinant His-tagged HER2 (catalytic domain 691 to 1255 residues) using polyglutamic acid/tyrosine as substrate by spectrophotometry
50007606	20	ChEMBL_1842453 (CHEMBL4342880)	Inhibition of human HER2 expressed in baculovirus/Sf21 system by ELISA
50007606	21	ChEMBL_1842454 (CHEMBL4342881)	Inhibition of human HER3 expressed in baculovirus/Sf21 system by ELISA
50007606	22	ChEMBL_1842459 (CHEMBL4342886)	Inhibition of human recombinant VEGFR2 expressed in Sf21 insect cells by ELISA
50007606	23	ChEMBL_1842467 (CHEMBL4342894)	Inhibition of VEGFR2 (unknown origin)
50007606	24	ChEMBL_1842462 (CHEMBL4342889)	Inhibition of SRC (unknown origin)
50007606	25	ChEMBL_1842470 (CHEMBL4342897)	Inhibition of human recombinant His6-tagged Aurora A expressed in baculovirus using Biotinyl-Ahx-tetra (LRRWSLG) as substrate incubated for 60 mins by beta scintillation counter
50007606	26	ChEMBL_1842468 (CHEMBL4342895)	Inhibition of Aurora B (unknown origin)
50007606	27	ChEMBL_1842477 (CHEMBL4342904)	Inhibition of JAK2 (unknown origin) assessed as dissociate constant
50007606	28	ChEMBL_1842478 (CHEMBL4342905)	Inhibition of JAK1 (unknown origin) assessed as dissociate constant
50007606	29	ChEMBL_1842479 (CHEMBL4342906)	Inhibition of JAK3 (unknown origin) assessed as dissociate constant
50007606	30	ChEMBL_1842483 (CHEMBL4342910)	Inhibition of LCK (unknown origin)
50007606	31	ChEMBL_1842485 (CHEMBL4342912)	Inhibition of EGFR T790M mutant (unknown origin)
50007606	32	ChEMBL_1842487 (CHEMBL4342914)	Inhibition of Aurora B in human MCF7 cells
50007606	33	ChEMBL_1842486 (CHEMBL4342913)	Inhibition of Aurora A in human MCF7 cells
50007606	34	ChEMBL_1842484 (CHEMBL4342911)	Inhibition of JAK3 (unknown origin)
50007606	35	ChEMBL_1842437 (CHEMBL4342864)	Inhibition of EGFR in human ME180 cells assessed as reduction in cell proliferation incubated for 72 hrs by Coulter counter method
50007606	36	ChEMBL_1842441 (CHEMBL4342868)	Inhibition of human recombinant GST-tagged EGFR L858R/T790M mutant using pEY as substrate incubated for 30 mins by ELISA
50007606	37	ChEMBL_1842444 (CHEMBL4342871)	Inhibition of EGFR (unknown origin) assessed as reduction of phosphorylation of polyglutamic acid/tyrosine incubated for 10 mins by beta scintillation counter
50007606	38	ChEMBL_1842448 (CHEMBL4342875)	Inhibition of human recombinant GST-tagged EGFR (catalytic domain 695 to end) expressed in baculovirus-infected Sf9 cells assessed as reduction in phosphorylation of polyglutamic acid/tyrosine incubated for 60 mins by ADP-Glo assay
50007606	39	ChEMBL_1842460 (CHEMBL4342887)	Inhibition of human EGFR
50007606	40	ChEMBL_1842471 (CHEMBL4342898)	Inhibition of human recombinant His6-tagged Aurora B expressed in baculovirus using Biotinyl-Ahx-tetra (LRRWSLG) as substrate incubated for 60 mins by beta scintillation counter
50007606	41	ChEMBL_1842472 (CHEMBL4342899)	Inhibition of PAK4 (unknown origin) assessed as reduction in histone phosphorylation incubated for 1 hr at 4 degC by immunoblotting analysis
50007606	42	ChEMBL_1842480 (CHEMBL4342907)	Inhibition of VEGFR3 (unknown origin)
50007606	43	ChEMBL_1842489 (CHEMBL4342916)	Binding affinity to BRD4 (unknown origin)
50007606	44	ChEMBL_1842430 (CHEMBL4342857)	Inhibition of HER2 (unknown origin) using pEY as substrate incubated for 30 mins by ELISA
50007606	45	ChEMBL_1842452 (CHEMBL4342879)	Inhibition of human EFGR expressed in baculovirus/Sf21 system by ELISA
50007606	46	ChEMBL_1842473 (CHEMBL4342900)	Inhibition of PAK1 (unknown origin) assessed as reduction in histone phosphorylation incubated for 1 hr at 4 degC by immunoblotting analysis
50007606	47	ChEMBL_1842464 (CHEMBL4342891)	Inhibition of human recombinant GST-tagged VEGFR2 (catalytic domain 805 to 1356 residues) expressed in Sf9 insect cells incubated for 45 mins by Kinase-Glo assay
50007606	48	ChEMBL_1842476 (CHEMBL4342903)	Inhibition of IKK2 (unknown origin)
50007608	1	ChEMBL_1842493 (CHEMBL4342920)	Inhibition of CRAF in human Calu6 cells assessed as reduction MEK phosphorylation measured after 1 hr by sandwich ELISA
50007608	2	ChEMBL_1842492 (CHEMBL4342919)	Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate addition measured after 40 mins by alphascreen assay
50007608	3	ChEMBL_1842499 (CHEMBL4342926)	Inhibition of full-length BRAF (unknown origin)
50007608	4	ChEMBL_1842512 (CHEMBL4342939)	Binding affinity to wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system by Kinomescan method
50007608	5	ChEMBL_1842513 (CHEMBL4342940)	Binding affinity to wild-type human partial length DDR2 (V555 to E855 residues) expressed in mammalian expression system by Kinomescan method
50007608	6	ChEMBL_1842514 (CHEMBL4342941)	Binding affinity to wild-type human partial length PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system by Kinomescan method
50007608	7	ChEMBL_1842562 (CHEMBL4342989)	Inhibition of human ERG by patch clamp method
50007608	8	ChEMBL_1842511 (CHEMBL4342938)	Binding affinity to wild-type human partial length CRAF (I330 to T640 residues) expressed in bacterial expression system by Kinomescan method
50007608	9	ChEMBL_1842510 (CHEMBL4342937)	Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method
50007609	1	ChEMBL_1842591 (CHEMBL4343018)	Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by microbeta2 scintillation counter
50007609	2	ChEMBL_1842592 (CHEMBL4343019)	Displacement of [3H]-LSD from human recombinant 5-HT7 receptor expressed in CHO cells incubated for 60 mins by microbeta2 scintillation counter
50007609	3	ChEMBL_1842606 (CHEMBL4343033)	Antagonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells incubated for 25 mins followed by addition of methiothepin by microbeta2 scintillation counter
50007609	4	ChEMBL_1842608 (CHEMBL4343035)	Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET assay
50007609	5	ChEMBL_1842605 (CHEMBL4343032)	Agonist activity at human recombinant 5-HT1A receptor expressed in CHOK1 cells measured after 1 hr by microbeta2 scintillation counter
50007609	6	ChEMBL_1842607 (CHEMBL4343034)	Agonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells by LANCE TR-FRET assay
50007610	1	ChEMBL_1842624 (CHEMBL4343051)	Inhibition of N-terminal TEV cleavage site-fused His6 tagged human NMT1 (115 to 496 residues) expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	2	ChEMBL_1842632 (CHEMBL4343059)	Inhibition of human NMT1 Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	3	ChEMBL_1842634 (CHEMBL4343061)	Inhibition of human NMT1 A452M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	4	ChEMBL_1842639 (CHEMBL4343066)	Inhibition of human NMT1 W297F/A452M/L453V/L462V/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	5	ChEMBL_1842623 (CHEMBL4343050)	Inhibition of N-terminal TEV cleavage site-fused His6 tagged Leishmania major NMT (11 to 421 residues) expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	6	ChEMBL_1842627 (CHEMBL4343054)	Inhibition of human NMT1 N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	7	ChEMBL_1842631 (CHEMBL4343058)	Inhibition of human NMT1 L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	8	ChEMBL_1842628 (CHEMBL4343055)	Inhibition of Leishmania major NMT H398N mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	9	ChEMBL_1842630 (CHEMBL4343057)	Inhibition of Leishmania major NMT L421Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	10	ChEMBL_1842633 (CHEMBL4343060)	Inhibition of human NMT1 R295Q/W297F/A452M/L453V/L462V/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	11	ChEMBL_1842636 (CHEMBL4343063)	Inhibition of human NMT1 A452M/L453V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	12	ChEMBL_1842637 (CHEMBL4343064)	Inhibition of human NMT1 A452M/L453V/L462V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	13	ChEMBL_1842638 (CHEMBL4343065)	Inhibition of human NMT1 A452M/L453V/L495M mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	14	ChEMBL_1842640 (CHEMBL4343067)	Inhibition of human NMT1 R295Q mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	15	ChEMBL_1842641 (CHEMBL4343068)	Inhibition of human NMT1 R295Q/N473H/L495M/Q496L mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007610	16	ChEMBL_1842635 (CHEMBL4343062)	Inhibition of human NMT1 L453V mutant expressed in Escherichia coli Rosetta-2 cells using GSNKSKPK as substrate in presence of MyrCoA after 30 mins by CPM dye based fluorescence assay
50007612	1	ChEMBL_1842659 (CHEMBL4343086)	Inhibition of recombinant human 3C cleavage site/N-terminal GST-His6 fused PDGFR alpha C-terminal fragment (Q551 to L1089 residues) harboring V561D mutant expressed in baculovirus infected Sf9 insect cells using AGLT peptide as substrate in presence of [gamma-33P]-ATP
50007614	1	ChEMBL_1842689 (CHEMBL4343116)	Inhibition of perforin (unknown origin) assessed as reduction in perforin-mediated cell lysis in human Jurkat T cells incubated for 30 mins by 51Cr release based gamma counting method
50007614	2	ChEMBL_1842690 (CHEMBL4343117)	Inhibition of perforin in human KHYG-1 cells pre-treated with compound for 20 mins assessed as reduction in KHYG-1 cells-mediated cell lysis of human K562 cells measured after 4 hrs by 51Cr release based gamma counting method
50007615	1	ChEMBL_1842724 (CHEMBL4343151)	Inhibition of HDAC in human K562 cell extracts using (QSY-7)-RGGRGLGK(Ac)-GGARRHRK(TAMRA)NH2 as substrate preincubated for 30 mins followed by addition of endoproteinase Lys-C and measured after 2 hrs by fluorescence assay
50007615	2	ChEMBL_1842718 (CHEMBL4343145)	Inhibition of HDAC1 (unknown origin)
50007615	3	ChEMBL_1842751 (CHEMBL4343178)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorometric method
50007615	4	ChEMBL_1842716 (CHEMBL4343143)	Inhibition of His6-tagged MCL1 (unknown origin) incubated for 0.5 hrs by TR-FRET assay
50007615	5	ChEMBL_1842717 (CHEMBL4343144)	Inhibition of His6-tagged MCL1 (unknown origin) incubated for 0.5 hrs in presence of 1% FBS by TR-FRET assay
50007615	6	ChEMBL_1842720 (CHEMBL4343147)	Inhibition of HDAC in human HeLa cell extracts
50007615	7	ChEMBL_1842721 (CHEMBL4343148)	Inhibition of HDAC2 (unknown origin)
50007615	8	ChEMBL_1842732 (CHEMBL4343159)	Inhibition of HDAC6 (unknown origin) by fluorescence based assay
50007615	9	ChEMBL_1842739 (CHEMBL4343166)	Inhibition of bovine brain tubulin polymerization incubated for 1 hr
50007615	10	ChEMBL_1842742 (CHEMBL4343169)	Inhibition of bovine brain tubulin polymerization by spectrometric analysis
50007615	11	ChEMBL_1842750 (CHEMBL4343177)	Inhibition of recombinant human CYP19 using MFC as substrate incubated for 30 mins in presence of NADPH by fluorescence based assay
50007615	12	ChEMBL_1842749 (CHEMBL4343176)	Displacement of (+)-[3H]pentazocine from sigma1 receptor in guinea pig brain membranes
50007615	13	ChEMBL_1842719 (CHEMBL4343146)	Inhibition of HDAC3 (unknown origin)
50007615	14	ChEMBL_1842731 (CHEMBL4343158)	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50007615	15	ChEMBL_1842715 (CHEMBL4343142)	Inhibition of MCL1 (unknown origin)
50007615	16	ChEMBL_1842722 (CHEMBL4343149)	Inhibition of HDAC (unknown origin)
50007615	17	ChEMBL_1842733 (CHEMBL4343160)	Inhibition of HDAC8 (unknown origin) by fluorescence based assay
50007615	18	ChEMBL_1842723 (CHEMBL4343150)	Inhibition of HDAC10 (unknown origin)
50007616	1	ChEMBL_1842878 (CHEMBL4343305)	Inhibition of c-Met (unknown origin) by mobility shift assay
50007617	1	ChEMBL_1842970 (CHEMBL4343397)	Antagonist activity at 5-HT1A receptor (unknown origin)
50007617	2	ChEMBL_1842968 (CHEMBL4343395)	Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cells
50007617	3	ChEMBL_1842969 (CHEMBL4343396)	Antagonist activity at 5-HT7 receptor (unknown origin)
50007617	4	ChEMBL_1842971 (CHEMBL4343398)	Displacement of [3H]5-CT from recombinant rat 5-HT7 receptor expressed in HEK293 cells
50007619	1	ChEMBL_1842979 (CHEMBL4343406)	Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007619	2	ChEMBL_1842975 (CHEMBL4343402)	Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007619	3	ChEMBL_1842976 (CHEMBL4343403)	Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by sandwich ELISA
50007619	4	ChEMBL_1842974 (CHEMBL4343401)	Inhibition of recombinant CatD (unknown origin) expressed in CHO cells using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007619	5	ChEMBL_1843047 (CHEMBL4343474)	Inhibition of human ERG
50007619	6	ChEMBL_1842973 (CHEMBL4343400)	Inhibition of recombinant human C-terminal His6-tagged BACE2 expressed in mammalian expression system using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007619	7	ChEMBL_1842991 (CHEMBL4343418)	Inhibition of cathepsin E (unknown origin)
50007619	8	ChEMBL_1842993 (CHEMBL4343420)	Inhibition of renin (unknown origin)
50007619	9	ChEMBL_1842994 (CHEMBL4343421)	Inhibition of BACE2 in mouse B16-F1 cells assessed as increase in intracellular PMEL17 Mbeta accumulation measured after 4 days by Western blot analysis
50007619	10	ChEMBL_1842995 (CHEMBL4343422)	Inhibition of recombinant human BACE2 expressed in HEK293 cells co-transfected with N-terminal HA-tagged/C-terminal Myc tagged Mbeta chain of human PMEL17 measured after overnight incubation by Gaussia luciferase reporter gene assay
50007619	11	ChEMBL_1843044 (CHEMBL4343471)	Inhibition of CYP3A4 (unknown origin)
50007619	12	ChEMBL_1843046 (CHEMBL4343473)	Inhibition of CYP2C9 (unknown origin)
50007619	13	ChEMBL_1842972 (CHEMBL4343399)	Inhibition of recombinant human C-terminal His6-tagged BACE1 expressed in mammalian expression system using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50007619	14	ChEMBL_1843045 (CHEMBL4343472)	Inhibition of CYP2D6 (unknown origin)
50007620	1	ChEMBL_1843185 (CHEMBL4343612)	Inhibition of human SGLT1
50007620	2	ChEMBL_1843186 (CHEMBL4343613)	Inhibition of human SGLT2
50007620	3	ChEMBL_1843174 (CHEMBL4343601)	Inhibition of human SGLT2 expressed i HEK293 cell membranes assessed as reduction in [14C]-alpha-methyl glucopyranoside uptake incubated for 4 hrs by topcount method
50007620	4	ChEMBL_1843193 (CHEMBL4343620)	Inhibition OF SGLT2 (unknown origin)
50007622	1	ChEMBL_1843197 (CHEMBL4343624)	Inhibition of wild type human N-terminal GST-fusion tagged TRKB kinase domain (456 to 822 residues) expressed in baculovirus expression system by HTRF assay
50007622	2	ChEMBL_1843196 (CHEMBL4343623)	Inhibition of wild type human His-tagged TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system by HTRF assay
50007622	3	ChEMBL_1843199 (CHEMBL4343626)	Inhibition of TRKA E735A mutant (unknown origin) expressed in baculovirus infected sf9 cells assessed as kinase domain dimerization by HTRF assay
50007624	1	ChEMBL_1843271 (CHEMBL4343698)	Binding affinity to full length Trypanosoma cruzi Tulahuen C4 C-terminal His-tagged CYP51 expressed in Escherichia coli HMS174 (DE3) assessed as induction of shift in Soret band by spectrophotometry
50007624	2	ChEMBL_1843272 (CHEMBL4343699)	Inhibition of Trypanosoma cruzi Tulahuen C4 CYP51 expressed in Escherichia coli HMS174 using [3H]-sterol as substrate in presence of NADPH by reversed phase HPLC analysis
50007625	1	ChEMBL_1843355 (CHEMBL4343782)	Positive allosteric modulation of recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as increase in [3H]PSB-1584 binding measured after 6 hrs by scintillation counting method
50007625	2	ChEMBL_1843334 (CHEMBL4343761)	Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production preincubated for 20 mins followed by forskolin addition and measured after 20 mins
50007625	3	ChEMBL_1843348 (CHEMBL4343775)	Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr by liquid scintillation counting method
50007625	4	ChEMBL_1843353 (CHEMBL4343780)	Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding measured after 30 mins by top-count liquid scintillation counting method
50007625	5	ChEMBL_1843332 (CHEMBL4343759)	Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scintillation counting method
50007625	6	ChEMBL_1843339 (CHEMBL4343766)	Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes assessed as inhibition of forskolin-induced cAMP production measured after 30 mins by HTRF assay
50007625	7	ChEMBL_1843343 (CHEMBL4343770)	Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as beta-arrestin 2 recruitment by beta-galactosidase based PathHunter assay
50007625	8	ChEMBL_1843329 (CHEMBL4343756)	Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as inhibition of forskolin-stimulated [3H]cAMP accumulation preincubated for 5 mins followed by forskolin stimulation and measured after 15 mins by radioactive assay
50007625	9	ChEMBL_1843327 (CHEMBL4343754)	Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as beta-arrestin 2 recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50007625	10	ChEMBL_1843335 (CHEMBL4343762)	Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50007625	11	ChEMBL_1843337 (CHEMBL4343764)	Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by [35S]GTPgammaS addition and measured 45 mins by liquid scintillation spectrometric method
50007625	12	ChEMBL_1843338 (CHEMBL4343765)	Agonist activity at recombinant human GPR84 expressed in HEK293 cells assessed as beta-arrestin 2 recruitment by beta-galactosidase based PathHunter assay
50007625	13	ChEMBL_1843341 (CHEMBL4343768)	Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding measured after 30 mins by liquid scintillation counting method
50007625	14	ChEMBL_1843342 (CHEMBL4343769)	Agonist activity at recombinant human GPR84 expressed in HEK293 cells co-expressing Gqi5 assessed as inhibition of forskolin-induced cAMP accumulation by fluo-4AM dye based FLIPR assay
50007625	15	ChEMBL_1843344 (CHEMBL4343771)	Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by fluo-4AM dye based FLIPR assay
50007625	16	ChEMBL_1843345 (CHEMBL4343772)	Agonist activity at recombinant human HA-tagged GPR84 stably expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 60 mins by HTRF assay
50007625	17	ChEMBL_1843346 (CHEMBL4343773)	Agonist activity at recombinant human GPR84 expressed in CHO cells co-expressing beta-galactosidase/beta-arrestin2 assessed as inhibition of forskolin-stimulated [3H]cAMP accumulation measured after 15 mins by radioactive assay
50007625	18	ChEMBL_1843347 (CHEMBL4343774)	Agonist activity at recombinant human GPR84 expressed in CHO cells assessed as beta-arrestin 2 recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50007625	19	ChEMBL_1843349 (CHEMBL4343776)	Agonist activity at recombinant human GPR84 expressed in HEK293 cells co-expressing Gqi5 assessed as increase in myo-[3H]inositol phosphate accumulation measured after 2 hrs by topcount scintillation counting method
50007625	20	ChEMBL_1843331 (CHEMBL4343758)	Agonist activity at recombinant human GPR84 stably expressed in HEK293 cells co-expressing Galpha16 assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by forskolin addition and measured after 30 mins by HTRF assay
50007625	21	ChEMBL_1843350 (CHEMBL4343777)	Agonist activity at recombinant human GPR84 stably expressed in HEK293 cells co-expressing Galpha16 assessed as increase in intracellular calcium mobilization by Fluo-4 AM dye based fluorescence assay
50007625	22	ChEMBL_1843351 (CHEMBL4343778)	Agonist activity at recombinant human GPR84 expressed in HEK293 cells assessed as beta-arrestin 2 recruitment measured after 20 mins by luciferase reporter gene assay
50007625	23	ChEMBL_1843352 (CHEMBL4343779)	Agonist activity at recombinant human HA-tagged GPR84 stably expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding measured after 30 mins by liquid scintillation counting method
50007625	24	ChEMBL_1843340 (CHEMBL4343767)	Agonist activity at recombinant human N-terminally HA-tagged GPR84 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of forskolin-induced cAMP accumulation by fluo-4AM dye based FLIPR assay
50007625	25	ChEMBL_1843336 (CHEMBL4343763)	Agonist activity at recombinant human GPR84 expressed in CHO cells co-expressing Galpha16/Gqs5/Gqo5/Gqi9 assessed as increase in calcium mobilization measured for 20 secs in presence of coelenterazine by aequorin-reporter gene based luminescence assay
50007627	1	ChEMBL_1843375 (CHEMBL4343802)	Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and further incubated for 20 mins by microplate reader assay
50007627	2	ChEMBL_1843376 (CHEMBL4343803)	Non-competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and further incubated for 20 mins by Dixon plot analysis
50007629	1	ChEMBL_1843547 (CHEMBL4343974)	Inhibition of recombinant human SHP2 expressed in Escherichia coli using 2P-IRS1 peptide as substrate after 1 hr by microplate reader analysis
50007632	1	ChEMBL_1843569 (CHEMBL4343996)	Binding affinity to wild type human STING (139 to 379 residues) by ITC assay
50007632	2	ChEMBL_1843570 (CHEMBL4343997)	Inhibition of STING in human THP1 cells by IFN reporter gene assay
50007632	3	ChEMBL_1843574 (CHEMBL4344001)	Inhibition of STING in human THP1 cells in presence of digitonin by IFN reporter gene assay
50007632	4	ChEMBL_1843578 (CHEMBL4344005)	Binding affinity to mouse STING by ITC assay
50007632	5	ChEMBL_1843571 (CHEMBL4343998)	Inhibition of STING in human THP1 cells in presence of PFO by IFN reporter gene assay
50007632	6	ChEMBL_1843573 (CHEMBL4344000)	Inhibition of STING in human THP1 cells
50007632	7	ChEMBL_1843585 (CHEMBL4344012)	Inhibition of wild type STING (unknown origin)
50007632	8	ChEMBL_1843582 (CHEMBL4344009)	Inhibition of wild type human STING by SPA assay
50007632	9	ChEMBL_1843580 (CHEMBL4344007)	Displacement of [3H]-cGAMP from mouse STING by filtration binding assay
50007632	10	ChEMBL_1843579 (CHEMBL4344006)	Displacement of [3H]-cGAMP from wild type human STING by filtration binding assay
50007632	11	ChEMBL_1843581 (CHEMBL4344008)	Inhibition of STING in human THP1 cells by R232 IRF-luciferase reporter gene assay
50007635	1	ChEMBL_1843600 (CHEMBL4344027)	Inhibition of HIF1 (unknown origin)
50007635	2	ChEMBL_1843598 (CHEMBL4344025)	Activation of HIF1 in human T47D cells after 30 mins by luciferase reporter gene assay
50007635	3	ChEMBL_1843599 (CHEMBL4344026)	Activation of HIF1 in human T47D cells
50007636	1	ChEMBL_1843618 (CHEMBL4344045)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-D-glucoside as substrate preincubated for 0.5 hrs followed substrate addition and measured after 1 hr by colorimetric method
50007638	1	ChEMBL_1843636 (CHEMBL4344063)	Displacement of [3H]WIN 55212-2 from human CB2 receptor incubated for 120 mins by scintillation counting method
50007638	2	ChEMBL_1843635 (CHEMBL4344062)	Displacement of [3H]CP55940 from human CB1 receptor incubated for 30 mins by scintillation counting method
50007638	3	ChEMBL_1843637 (CHEMBL4344064)	Binding affinity to human CB1 receptor
50007640	1	ChEMBL_1843801 (CHEMBL4344228)	Antagonist activity at human Gq-coupled HRH1 expressed in CHOK1 cells assessed as inhibition in Orexin A-induced beta-arrestin 2 recruitment incubated for 30 mins followed by Orexin A addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	2	ChEMBL_1843805 (CHEMBL4344232)	Antagonist activity at human Gq-coupled HCRTR2 expressed in CHOK1 cells assessed as inhibition in Orexin A-induced beta-arrestin 2 recruitment incubated for 30 mins followed by Orexin A addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	3	ChEMBL_1843806 (CHEMBL4344233)	Antagonist activity at human Gs/Gi/o-coupled CHRM4 expressed in CHOK1 cells assessed as inhibition in acetylcholine-induced beta-arrestin 2 recruitment incubated for 30 mins followed by acetylcholine addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	4	ChEMBL_1843800 (CHEMBL4344227)	Antagonist activity at human GPR119 expressed in human HEK293 cells assessed as inhibition in agonist-induced beta-arrestin 2 recruitment incubated for 30 mins followed by agonist addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	5	ChEMBL_1843802 (CHEMBL4344229)	Antagonist activity at human Gq-coupled NPSR1b expressed in human U2OS cells assessed as inhibition in neuropeptide S-induced beta-arrestin 2 recruitment incubated for 30 mins followed by neuropeptide S addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	6	ChEMBL_1843807 (CHEMBL4344234)	Antagonist activity at human CCR8 expressed in CHOK1 cells assessed as reduction in CCL1-induced beta-arrestin 2 recruitment incubated for 30 mins followed by CCL1 addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	7	ChEMBL_1843808 (CHEMBL4344235)	Antagonist activity at human Gi/o-coupled FPR1 expressed in CHOK1 cells assessed as reduction in WKYMVm-NH2-induced beta-arrestin 2 recruitment incubated for 30 mins followed by WKYMVm-NH2 addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	8	ChEMBL_1843803 (CHEMBL4344230)	Antagonist activity at human Gq-coupled PRLHR expressed in CHOK1 cells assessed as inhibition in prolactin releasing peptide (1 to 31)-induced beta-arrestin 2 recruitment incubated for 30 mins followed by prolactin releasing peptide (1 to 31) addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	9	ChEMBL_1843799 (CHEMBL4344226)	Antagonist activity at human Gi/o-coupled CNR2 expressed in CHOK1 cells assessed as inhibition in CP55940-induced beta-arrestin 2 recruitment incubated for 30 mins followed by CP55940 addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	10	ChEMBL_1843804 (CHEMBL4344231)	Antagonist activity at human Gs-coupled PTGIR assessed as inhibition in beraprost-induced beta-arrestin 2 recruitment incubated for 30 mins followed by beraprost- addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007640	11	ChEMBL_1843785 (CHEMBL4344212)	Antagonist activity at human Gi/o-coupled CNR1 expressed in CHOK1 cells assessed as inhibition in CP55940-induced beta-arrestin 2 recruitment incubated for 30 mins followed by CP55940 addition and measured after 90 or 180 mins by pathhunter beta-arrestin assay
50007641	1	ChEMBL_1843845 (CHEMBL4344272)	Agonist activity at PPARalpha (unknown origin)
50007641	3	ChEMBL_1843858 (CHEMBL4344285)	Inhibition of recombinant FLAG-tagged human DGAT2 expressed in SF9 cells after 1 hr by TopCount assay
50007641	4	ChEMBL_1843863 (CHEMBL4344290)	Inhibition of rat KHK
50007641	5	ChEMBL_1843865 (CHEMBL4344292)	Inhibition of SGLT1 (unknown origin)
50007641	6	ChEMBL_1843846 (CHEMBL4344273)	Agonist activity at PPARgamma (unknown origin)
50007641	7	ChEMBL_1843860 (CHEMBL4344287)	Activation of mouse liver PPARalpha
50007641	8	ChEMBL_1843847 (CHEMBL4344274)	Agonist activity at PPARdelta (unknown origin)
50007641	9	ChEMBL_1843848 (CHEMBL4344275)	Agonist activity at FXR (unknown origin)
50007641	10	ChEMBL_1843856 (CHEMBL4344283)	Inhibition of ACC1 (unknown origin)
50007641	11	ChEMBL_1843857 (CHEMBL4344284)	Inhibition of ACC2 (unknown origin)
50007641	12	ChEMBL_1843862 (CHEMBL4344289)	Binding affinity to recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH
50007641	13	ChEMBL_1843861 (CHEMBL4344288)	Inhibition of recombinant His-tagged human KHK expressed in Escherichia coli in presence of NADPH
50007641	14	ChEMBL_1843864 (CHEMBL4344291)	Displacement of [125I]GLP-1 from human GLP-1R (7 to 36 residues) expressed in HEK293 or CHO cell membranes after 120 mins by radioligand binding assay
50007641	15	ChEMBL_1843866 (CHEMBL4344293)	Inhibition of SGLT2 (unknown origin)
50007641	16	ChEMBL_1843869 (CHEMBL4344296)	Inhibition of CCR7 (unknown origin)
50007641	17	ChEMBL_1843868 (CHEMBL4344295)	Inhibition of CCR2 (unknown origin)
50007641	18	ChEMBL_1843854 (CHEMBL4344281)	Activation of rat hepatocytes AMPK alpha1/beta2/gamma1 expressed in baculovirus infected Sf9 cells
50007641	19	ChEMBL_1843867 (CHEMBL4344294)	Inhibition of recombinant FLAG-tagged human DGAT1 expressed in SF9 cells after 1 hr by TopCount assay
50007643	1	ChEMBL_1843878 (CHEMBL4344305)	Agonist activity at human D2S receptor expressed in CHOK1 cells assessed as inhibition of forskolin induced cAMP production preincubated for 10 mins followed by forskolin addition and measured after 5 mins by HTRF assay relative to control
50007643	2	ChEMBL_1843872 (CHEMBL4344299)	Displacement of [3H]spiperone from human D3 receptor expressed in CHO-K1 cells by radioligand competitive binding analysis
50007643	3	ChEMBL_1843870 (CHEMBL4344297)	Displacement of [3H]spiperone from human D2S receptor expressed in CHO-K1 cells by radioligand competitive binding analysis
50007644	1	ChEMBL_1843887 (CHEMBL4344314)	Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid peptide based fluorescence polarization assay
50007644	2	ChEMBL_1843888 (CHEMBL4344315)	Binding affinity to immobilized biotin-labeled and N-terminal His6-tagged human Mcl-1 expressed in Escherichia coli Rosetta2 DE3 by biolayer interferometry
50007644	3	ChEMBL_1843890 (CHEMBL4344317)	Inhibition of N-terminal His6-tagged human Bcl-2 isoform 2 (1 to 34 residues and 92 to 202 residues with Bcl-xL sequence (35 to 50 residues) expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid peptide based fluorescence polarization assay
50007644	4	ChEMBL_1843886 (CHEMBL4344313)	Inhibition of N-terminal His6-tagged human Mcl1 expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled Flu-Bid peptide based fluorescence polarization assay
50007644	5	ChEMBL_1843891 (CHEMBL4344318)	Inhibition of N-terminal His6-tagged human Bcl-xL (with internal deletion of 45 to 85 amino acids and C-terminal truncation for 212 to 233 residues) expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid peptide based fluorescence polarization assay
50007644	6	ChEMBL_1843889 (CHEMBL4344316)	Binding affinity to immobilized biotin-labeled and N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by biolayer interferometry
50007645	1	ChEMBL_1843921 (CHEMBL4344348)	Inhibition of DYRK1A (unknown origin) by FRET-based Lantha-screen Eu kinase binding assay
50007646	1	ChEMBL_1844001 (CHEMBL4344428)	Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method
50007646	2	ChEMBL_1843984 (CHEMBL4344411)	Inhibition of human alpha-thrombin using varying levels of Tos-Gly-Pro-Arg-AMC-TFA as substrate by fluorescence based Michaelis-Menten equation analysis
50007646	3	ChEMBL_1844002 (CHEMBL4344429)	Binding affinity to human alpha-thrombin in phosphate/HEPES/Tricine/Tris buffer by ITC method
50007646	4	ChEMBL_1844003 (CHEMBL4344430)	Displacement of (S)-1-((R)-2-amino-3-phenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide from bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC method
50007647	1	ChEMBL_1844008 (CHEMBL4344435)	Agonist activity at recombinant human PTHR1 expressed in pig LLC-PK1 cells assessed as increase in cAMP production measured after 20 mins by EIA
50007648	1	ChEMBL_1844054 (CHEMBL4344481)	Inhibition of mouse MCP6 pre-incubated for 3 hrs before N-tert-butoxycarbonyl-Gln-Ala-Arg-AMC substrate addition and measured every 30 secs for 15 mins by spectrometry
50007649	1	ChEMBL_1844146 (CHEMBL4344573)	Agonist activity at human PPARdelta expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 to 24 hrs by luciferase reporter gene assay
50007649	2	ChEMBL_1844144 (CHEMBL4344571)	Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 to 24 hrs by luciferase reporter gene assay
50007649	3	ChEMBL_1844145 (CHEMBL4344572)	Agonist activity at human PPARgamma expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 to 24 hrs by luciferase reporter gene assay
50007649	4	ChEMBL_1844150 (CHEMBL4344577)	Binding affinity to PPARalpha in human MIO-M1 cells assessed as increase in thermal stability preincubated for 3 hrs followed by exposure to 45.5 degree C for 10 mins by CETSA
50007649	5	ChEMBL_1844151 (CHEMBL4344578)	Binding affinity to His-tagged PPARalpha LBD (unknown origin) expressed in Escherichia coli Rosetta (DE3) at 25 degree C by isothermal titration calorimetry
50007650	1	ChEMBL_1844168 (CHEMBL4344595)	Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 4.5
50007650	2	ChEMBL_1844173 (CHEMBL4344600)	Inhibition of bovine GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7
50007650	3	ChEMBL_1844166 (CHEMBL4344593)	Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 5.5
50007650	4	ChEMBL_1844171 (CHEMBL4344598)	Inhibition of Escherichia coli GUS pre-incubated for 5 to 30 mins before 4-methylumbelliferone beta-D-glucuronide substrate addition at pH 6.7
50007651	1	ChEMBL_1844208 (CHEMBL4344635)	Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated histone H4KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	2	ChEMBL_1844235 (CHEMBL4344662)	Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	3	ChEMBL_1844234 (CHEMBL4344661)	Inhibition of HDAC7 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	4	ChEMBL_1844224 (CHEMBL4344651)	Inhibition of human recombinant His-tagged BRD2 BD2 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay
50007651	5	ChEMBL_1844231 (CHEMBL4344658)	Inhibition of HDAC4 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	6	ChEMBL_1844220 (CHEMBL4344647)	Inhibition of human recombinant His-tagged BRD4 BD2 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated with enzyme for 30 mins followed by substrate addition measured after 30 mins by AlphaScreen assay
50007651	7	ChEMBL_1844236 (CHEMBL4344663)	Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	8	ChEMBL_1844233 (CHEMBL4344660)	Inhibition of HDAC1 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	9	ChEMBL_1844232 (CHEMBL4344659)	Inhibition of HDAC3 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	10	ChEMBL_1844230 (CHEMBL4344657)	Inhibition of HDAC5 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	11	ChEMBL_1844229 (CHEMBL4344656)	Inhibition of HDAC8 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	12	ChEMBL_1844227 (CHEMBL4344654)	Inhibition of HDAC10 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	13	ChEMBL_1844225 (CHEMBL4344652)	Inhibition of human recombinant His-tagged BRD2 BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay
50007651	14	ChEMBL_1844223 (CHEMBL4344650)	Inhibition of human recombinant His-tagged BRD3 BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay
50007651	15	ChEMBL_1844222 (CHEMBL4344649)	Inhibition of human recombinant His-tagged BRD3 BD2 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay
50007651	16	ChEMBL_1844219 (CHEMBL4344646)	Inhibition of human recombinant His-tagged BRDT BD1 domain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by AlphaScreen assay
50007651	17	ChEMBL_1844221 (CHEMBL4344648)	Inhibition of human recombinant His-tagged BRD4 BD1 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated with enzyme for 30 mins followed by substrate addition measured after 30 mins by AlphaScreen assay
50007651	18	ChEMBL_1844228 (CHEMBL4344655)	Inhibition of HDAC9 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007651	19	ChEMBL_1844226 (CHEMBL4344653)	Inhibition of HDAC11 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50007653	1	ChEMBL_1844321 (CHEMBL4344748)	Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins
50007653	2	ChEMBL_1844322 (CHEMBL4344749)	Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins
50007653	3	ChEMBL_1844335 (CHEMBL4344762)	Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis
50007653	4	ChEMBL_1844323 (CHEMBL4344750)	Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins
50007654	1	ChEMBL_1844336 (CHEMBL4344763)	Inhibition of human acid ceramidase expressed in HEK293 cells using Rbm14-12 as substrate preincubated for 10 mins followed by substrate addition and measured after 3 hrs by fluorescence assay
50007654	2	ChEMBL_1844406 (CHEMBL4344833)	Inhibition of human acid ceramidase expressed in HEK293 cells preincubated for 30 mins followed by fluorogenic probe addition and measured after 3 hrs by fluorescence based assay
50007654	3	ChEMBL_1844345 (CHEMBL4344772)	Inhibition of human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 50 mins by fluorescence based assay
50007654	4	ChEMBL_1844412 (CHEMBL4344839)	Inhibition of acid ceramidase in Krabbe's disease patient-derived primary fibroblasts using Rbm14-12 as substrate measured after 2 hrs by fluorescence assay
50007654	5	ChEMBL_1844408 (CHEMBL4344835)	Time-dependent inhibition of human acid ceramidase expressed in HEK293 cells using Rbm14-12 as substrate by fluorescence assay
50007654	6	ChEMBL_1844348 (CHEMBL4344775)	Inhibition of human FAAH expressed in HEK293 cells using AMC arachidonyl amide as fluorogenic substrate preincubated for 50 mins followed by substrate addition and measured after 45 mins by fluorescence based assay
50007655	1	ChEMBL_1844458 (CHEMBL4344885)	Displacement of fluorescein labeled ATP probe from His/GST-tagged RIPK1 (unknown origin) incubated for 60 mins by HTRF assay
50007655	2	ChEMBL_1844452 (CHEMBL4344879)	Displacement of fluorescein labeled ATP probe from His/GST-tagged c-Met (unknown origin) incubated for 60 mins by HTRF assay
50007655	3	ChEMBL_1844454 (CHEMBL4344881)	Displacement of fluorescein labeled probe from full length human GST-tagged RIPK2 expressed in Sf9 cells incubated for 60 mins by HTRF assay
50007655	4	ChEMBL_1844456 (CHEMBL4344883)	Displacement of fluorescein labeled ATP probe from full length His/GST-tagged RIPK3 (unknown origin) incubated for 60 mins by HTRF assay
50007655	5	ChEMBL_1844457 (CHEMBL4344884)	Displacement of fluorescein labeled ATP probe from His/GST-tagged RIPK2 (unknown origin) incubated for 60 mins by HTRF assay
50007655	6	ChEMBL_1844453 (CHEMBL4344880)	Displacement of fluorescein labeled probe from full length human GST-tagged RIPK3 expressed in Sf9 cells incubated for 60 mins by HTRF assay
50007655	7	ChEMBL_1844455 (CHEMBL4344882)	Displacement of fluorescein labeled probe from full length human GST-tagged RIPK1 expressed in Sf9 cells incubated for 60 mins by HTRF assay
50007655	8	ChEMBL_1844460 (CHEMBL4344887)	Displacement of fluorescein labeled ATP probe from full length His/GST-tagged RIPK1 (unknown origin) incubated for 60 mins by HTRF assay
50007656	1	ChEMBL_1844472 (CHEMBL4344899)	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP AlphaScreen assay
50007656	2	ChEMBL_1844477 (CHEMBL4344904)	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007656	3	ChEMBL_1844479 (CHEMBL4344906)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007656	4	ChEMBL_1844474 (CHEMBL4344901)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007656	5	ChEMBL_1844470 (CHEMBL4344897)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50007656	6	ChEMBL_1844469 (CHEMBL4344896)	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50007656	7	ChEMBL_1844482 (CHEMBL4344909)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50007656	8	ChEMBL_1844471 (CHEMBL4344898)	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50007657	1	ChEMBL_1844528 (CHEMBL4344955)	Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as substrate preincubated for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50007657	2	ChEMBL_1844529 (CHEMBL4344956)	Inhibition of (His)6 tagged human recombinant LTA4H expressed in Escherichia coli BL21(DE3) using non-fluorescent L-arginine-7-amino-4-methylcoumarine as substrate preincubated for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50007659	1	ChEMBL_1844619 (CHEMBL4345046)	Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cells
50007660	1	ChEMBL_1844623 (CHEMBL4345050)	Inhibition of His-tagged SHIP2 (unknown origin) incubated for 5 mins using Ins(1,3,4,5)P4 as substrate by malachite green reagent based phosphate assay
50007660	2	ChEMBL_1844620 (CHEMBL4345047)	Displacement of 2FAMInsP5 from recombinant human N-terminal His-tagged SHIP2 (419 to 832 residues) expressed in Escherichia coli Rosetta2 (DE3) cells by fluorescence polarization assay
50007660	3	ChEMBL_1844624 (CHEMBL4345051)	Inhibition of recombinant human C-terminal His-tagged INPP5B (259 to 563 residues) expressed in Escherichia coli BL21 (DE3) incubated for 5 mins using Ins(1,4,5)P3 as substrate by malachite green reagent based phosphate assay
50007660	4	ChEMBL_1844625 (CHEMBL4345052)	Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incubated for 10 mins by malachite green reagent based phosphate assay
50007660	5	ChEMBL_1844622 (CHEMBL4345049)	Displacement of Ins(1,3,4,5)P4 from recombinant human N-terminal His-tagged SHIP2 (419 to 832 residues) expressed in Escherichia coli BL21 (DE3)
50007661	1	ChEMBL_1844703 (CHEMBL4345130)	Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR peptide as substrate after 90 mins by fluorescence polarisation assay
50007661	2	ChEMBL_1844704 (CHEMBL4345131)	Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced IL-6 production preincubated for 90 mins followed by R848 stimulation and measured after 3.5 hrs by MSD assay
50007661	3	ChEMBL_1844742 (CHEMBL4345169)	Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced IFN alpha production preincubated for 90 mins followed by R848 stimulation and measured after 3.5 hrs by MSD assay
50007662	1	ChEMBL_1844752 (CHEMBL4345179)	Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method
50007662	2	ChEMBL_1844751 (CHEMBL4345178)	Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method
50007662	3	ChEMBL_1844753 (CHEMBL4345180)	Binding affinity to human NTS1R
50007663	1	ChEMBL_1844756 (CHEMBL4345183)	Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged AAK1 kinase domain (31 to 396 residues) (unknown origin) expressed in Escherichia coli measured after 1.5 hrs by TR-FRET assay
50007663	2	ChEMBL_1844761 (CHEMBL4345188)	Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition and measured within 10 mins by NanoBRET assay
50007663	3	ChEMBL_1844762 (CHEMBL4345189)	Inhibition of tracer K5 binding to N-terminal nano luciferase-fused GAK (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition and measured within 10 mins by NanoBRET assay
50007663	4	ChEMBL_1844763 (CHEMBL4345190)	Inhibition of tracer K5 binding to N-terminal nano luciferase-fused STK16 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition and measured within 10 mins by NanoBRET assay
50007663	5	ChEMBL_1844758 (CHEMBL4345185)	Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged GAK kinase domain (12 to 347 residues) (unknown origin) expressed in Escherichia coli measured after 1.5 hrs by TR-FRET assay
50007663	6	ChEMBL_1844759 (CHEMBL4345186)	Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged STK16 kinase domain (13 to 305 residues) (unknown origin) expressed in Escherichia coli measured after 1.5 hrs by TR-FRET assay
50007663	7	ChEMBL_1844754 (CHEMBL4345181)	Inhibition of AAK1 (unknown origin) using Fos-Nfluc, Cfluc-kinase and rabbit reticulate lysate system after 1 hr by split luciferase assay
50007663	8	ChEMBL_1844757 (CHEMBL4345184)	Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin) expressed in Escherichia coli measured after 1.5 hrs by TR-FRET assay
50007663	9	ChEMBL_1844760 (CHEMBL4345187)	Inhibition of tracer K5 binding to N-terminal nano luciferase-fused AAK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition and measured within 10 mins by NanoBRET assay
50007663	10	ChEMBL_1844773 (CHEMBL4345200)	Binding affinity to wild type human full length RIOK1 (M1 to K568 residues) expressed in bacterial expression system by Kinomescan method
50007663	11	ChEMBL_1844774 (CHEMBL4345201)	Binding affinity to wild type human full length RIOK3 (M1 to E519 residues) expressed in bacterial expression system by Kinomescan method
50007663	12	ChEMBL_1844775 (CHEMBL4345202)	Binding affinity to wild type human partial length PIP5K1C (M1 to T668 residues) expressed in mammalian expression system by Kinomescan method
50007666	1	ChEMBL_1844802 (CHEMBL4345229)	Inhibition of PI5P4Kbeta (unknown origin) incubated for 15 mins in presence of ATP by ADP-Glo assay
50007666	2	ChEMBL_1844801 (CHEMBL4345228)	Inhibition of PI5P4Kalpha (unknown origin) incubated for 15 mins in presence of ATP by ADP-Glo assay
50007666	3	ChEMBL_1844812 (CHEMBL4345239)	Inhibition of N-terminal GST-tagged full length human PIKFYVE (1 to 2098 residues) using PI(3)P and Phosphatidylserine as substrate by ADP-Glo assay
50007666	4	ChEMBL_1844813 (CHEMBL4345240)	Inhibition of PI5P4Kgamma (unknown origin)
50007667	1	ChEMBL_1844827 (CHEMBL4345254)	Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins followed by substrate addition and measured after 15 mins by PPiLight Inorganic Pyrophosphate assay kit method
50007667	2	ChEMBL_1844828 (CHEMBL4345255)	Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins followed by substrate addition and measured after 3 hrs by PPiLight Inorganic Pyrophosphate assay kit method
50007667	3	ChEMBL_1844835 (CHEMBL4345262)	Reversible inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins followed by substrate addition and measured after 3 hrs by PPiLight Inorganic Pyrophosphate assay kit method
50007667	4	ChEMBL_1844847 (CHEMBL4345274)	Inhibition of human ERG
50007667	5	ChEMBL_1844826 (CHEMBL4345253)	Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using dGTP as substrate measured after 30 mins by malachite green dye based inorganic phosphatase coupled absorbance assay
50007667	6	ChEMBL_1844848 (CHEMBL4345275)	Inhibition of CYP isoform (unknown origin)
50007668	1	ChEMBL_1844860 (CHEMBL4345287)	Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence polarization assay
50007668	2	ChEMBL_1844868 (CHEMBL4345295)	Binding affinity to N-terminal His6-tagged human LRH1 LBD (294 to 541 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay
50007668	3	ChEMBL_1844858 (CHEMBL4345285)	Binding affinity to human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by fluorescence polarization assay
50007668	4	ChEMBL_1844861 (CHEMBL4345288)	Displacement of 6N-FAM from SF1 LBD (218 to 461 residues) (unknown origin) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence polarization assay
50007668	5	ChEMBL_1844867 (CHEMBL4345294)	Inhibition of Gal4-fused human SF1 LBD (198 to 462 residues) expressed in CHO-K1 cells
50007668	6	ChEMBL_1844869 (CHEMBL4345296)	Displacement of 6N-FAM from LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence polarization assay
50007668	7	ChEMBL_1844859 (CHEMBL4345286)	Binding affinity to SF1 LBD (218 to 461 residues) (unknown origin) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by fluorescence polarization assay
50007668	8	ChEMBL_1844866 (CHEMBL4345293)	Binding affinity to human SF1 LBD (218 to 461 residues) expressed in Escherichia coli BL21 by electrophoretic mobility shift assay
50007668	9	ChEMBL_1844862 (CHEMBL4345289)	Binding affinity to human apo-form LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS measured after overnight incubation by fluorescence polarization assay
50007669	1	ChEMBL_1844871 (CHEMBL4345298)	Binding affinity to HIV1 YU-2 gp120 by isothermal titration calorimetric analysis
50007670	1	ChEMBL_1844875 (CHEMBL4345302)	Inhibition of human recombinant full length His-tagged Bcr-Abl expressed in baculovirus expression system using tyrosine-2 peptide as substrate after 1 hr in presence of 10 mM ATP by FRET based Z'-LYTE assay
50007670	2	ChEMBL_1844876 (CHEMBL4345303)	Inhibition of human recombinant His-tagged c-Kit cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system using Ser/Thr 6 peptide as substrate after 1 hr in presence of 300 uM ATP by FRET based Z'-LYTE assay
50007670	3	ChEMBL_1844874 (CHEMBL4345301)	Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain (427 to 855 residues) expressed in baculovirus expression system using Fluorescein-poly GAT as substrate incubated for 1 hr in presence of ATP by LanthaScreen Eu kinase assay
50007670	4	ChEMBL_1844873 (CHEMBL4345300)	Inhibition of recombinant human GST-tagged DDR1 catalytic domain (440 to 876 residues) expressed in baculovirus expression system using Fluorescein-poly GAT as substrate incubated for 1 hr in presence of ATP by LanthaScreen Eu kinase assay
50007670	5	ChEMBL_1844886 (CHEMBL4345313)	Binding affinity to wild type human partial length DDR2 (V555 to E855 residues) expressed in mammalian expression system after 1 hr by Kinomescan method
50007670	6	ChEMBL_1844887 (CHEMBL4345314)	Binding affinity to wild-type human partial length CAMK1D (M1 to K299 residues) expressed in bacterial expression system after 1 hr by Kinomescan method
50007670	7	ChEMBL_1844888 (CHEMBL4345315)	Binding affinity to wild-type human partial length CLK4 (R135 to K481 residues) expressed in bacterial expression system after 1 hr by Kinomescan method
50007670	8	ChEMBL_1844885 (CHEMBL4345312)	Binding affinity to wild type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system after 1 hr by Kinomescan method
50007670	9	ChEMBL_1844889 (CHEMBL4345316)	Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system after 1 hr by Kinomescan method
50007673	1	ChEMBL_1844901 (CHEMBL4345328)	Agonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50007673	2	ChEMBL_1844903 (CHEMBL4345330)	Agonist activity at D1R (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2 hrs by cAMP Glo-sensor assay
50007673	3	ChEMBL_1844905 (CHEMBL4345332)	Agonist activity at D2 long receptor (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2 hrs by cAMP Glo-sensor assay
50007673	4	ChEMBL_1844909 (CHEMBL4345336)	Antagonist activity at C-terminal RLuc8-fused D1R (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50007673	5	ChEMBL_1844899 (CHEMBL4345326)	Agonist activity at C-terminal RLuc8-fused D1R (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50007673	6	ChEMBL_1844911 (CHEMBL4345338)	Antagonist activity at C-terminal RLuc8-fused D2 long receptor (unknown origin) transfected in human HEK293T cells co-expressing N-terminal Venus-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50007673	7	ChEMBL_1844913 (CHEMBL4345340)	Antagonist activity at D1R (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2 hrs by cAMP Glo-sensor assay
50007673	8	ChEMBL_1844915 (CHEMBL4345342)	Antagonist activity at D2 long receptor (unknown origin) transfected in human HEK293T cells assessed as increase in cAMP accumulation incubated for 2 hrs by cAMP Glo-sensor assay
50007675	1	ChEMBL_1844927 (CHEMBL4345354)	Inhibition of human topo2alpha incubated for 30 mins by SYBR safe DNA stain based decatenation assay
50007675	2	ChEMBL_1844928 (CHEMBL4345355)	Inhibition of human topo2alpha by plasmid relaxation assay
50007676	1	ChEMBL_1844967 (CHEMBL4345394)	Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation preincubated for 10 mins followed by biotinylated-NAD+ addition and measured after 45 mins by ELISA
50007676	2	ChEMBL_1844968 (CHEMBL4345395)	Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 ARC5-SAM-PARP domain (613 to 1166 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation preincubated for 10 mins followed by biotinylated-NAD+ addition and measured after 45 mins by ELISA
50007676	3	ChEMBL_1844970 (CHEMBL4345397)	Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase reporter gene assay
50007676	4	ChEMBL_1844969 (CHEMBL4345396)	Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase reporter gene assay
50007676	5	ChEMBL_1845024 (CHEMBL4345451)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	6	ChEMBL_1844995 (CHEMBL4345422)	Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50007676	7	ChEMBL_1844996 (CHEMBL4345423)	Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50007676	8	ChEMBL_1844997 (CHEMBL4345424)	Inhibition of human recombinant N-terminal TEV-cleavgae site-fused-FLAG/Polyhis-tagged PARP10 (2 to 583 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50007676	9	ChEMBL_1845026 (CHEMBL4345453)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	10	ChEMBL_1845029 (CHEMBL4345456)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	11	ChEMBL_1845030 (CHEMBL4345457)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	12	ChEMBL_1845027 (CHEMBL4345454)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	13	ChEMBL_1845025 (CHEMBL4345452)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007676	14	ChEMBL_1845028 (CHEMBL4345455)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50007677	1	ChEMBL_1845079 (CHEMBL4345506)	Inhibition of heparanase (unknown origin) using biotin-heparan sulfate-Eu cryptate as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50007677	2	ChEMBL_1845080 (CHEMBL4345507)	Inhibition of coagulation factor 10a (unknown origin) incubated for 2 mins in presence of AT3 by chromogenic substrate based fluorescence assay
50007677	3	ChEMBL_1845081 (CHEMBL4345508)	Inhibition of coagulation factor 2a (unknown origin) incubated for 2 mins in presence of AT3 by chromogenic substrate based fluorescence assay
50007677	4	ChEMBL_1845082 (CHEMBL4345509)	Binding affinity to PF4 (unknown origin) by BLI assay
50007678	1	ChEMBL_1845093 (CHEMBL4345520)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007678	2	ChEMBL_1845094 (CHEMBL4345521)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007679	1	ChEMBL_1845207 (CHEMBL4345634)	Inhibition of HDAC1/2 in human HeLa cell nuclear extracts pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	2	ChEMBL_1845212 (CHEMBL4345639)	Inhibition of HDAC6 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	3	ChEMBL_1845208 (CHEMBL4345635)	Inhibition of HDAC1 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	4	ChEMBL_1845209 (CHEMBL4345636)	Inhibition of HDAC2 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	5	ChEMBL_1845210 (CHEMBL4345637)	Inhibition of HDAC3 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	6	ChEMBL_1845211 (CHEMBL4345638)	Inhibition of HDAC4 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	7	ChEMBL_1845213 (CHEMBL4345640)	Inhibition of HDAC8 (unknown origin) pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007679	8	ChEMBL_1845219 (CHEMBL4345646)	Inhibition of class 1 HDAC n human HeLa cell nuclear extracts pre-incubated for 5 mins before fluorogenic substrate Boc-Lys (acetyl)-AMC addition and measured after 30 mins by fluorescence based assay
50007681	1	ChEMBL_1845269 (CHEMBL4345696)	Inhibition of recombinant His-tagged human BCL6 expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by TR-FRET assay
50007681	2	ChEMBL_1845303 (CHEMBL4345730)	Displacement of Alexa Fluor 633 C5 maleimide-tagged BCOR from recombinant His-tagged human BCL6 (5 to 129 residues) expressed in Escherichia coli BL21 AI cell incubated for 2 hrs by Fluorescence polarization assay
50007683	1	ChEMBL_1845308 (CHEMBL4345735)	Inhibition of human neutrophil elastase using N-(OMe-succinyl)-Ala-Ala-Pro-Val-p-nitroanilide as substrate incubated for 15 mins followed by substrate addition and measured for every 30 sec for 30 mins by spectrophotometry
50007684	1	ChEMBL_1845384 (CHEMBL4345811)	Inhibition of recombinant human arginase 1 using L-arginine as substrate measured after 60 mins in presence of manganese chloride by o-phthaldialdehyde/primaquine diphosphate reagent based colorimetric assay
50007684	2	ChEMBL_1845399 (CHEMBL4345826)	Inhibition of human arginase 1
50007687	1	ChEMBL_1845436 (CHEMBL4345863)	Inhibition of recombinant N-Terminal GST-tagged human RET V804M mutant (658 to end residues) incubated for 15 mins followed by substrate addition and measured after 30 mins by TR-FRET assay
50007687	2	ChEMBL_1845439 (CHEMBL4345866)	Inhibition of RET V804M mutant (unknown origin)expressed in human BaF3 cells assessed as reduction in cell viability incubated for 48 hrs by celltiter glo luminescence cell viability assay
50007687	3	ChEMBL_1845443 (CHEMBL4345870)	Inhibition of RET (unknown origin) expressed in human BaF3 cells assessed as reduction in cell viability incubated for 48 hrs by celltiter glo luminescence cell viability assay
50007687	4	ChEMBL_1845444 (CHEMBL4345871)	Inhibition of KDR (unknown origin) expressed in human BaF3 cells assessed as reduction in cell viability incubated for 48 hrs by celltiter glo luminescence cell viability assay
50007689	1	ChEMBL_1845448 (CHEMBL4345875)	Inverse agonist activity at recombinant human GAL4-fused RORgammat LBD (247 to 497 residues) transfected in HEK293T cells assessed as inhibition of RORgammat driven transcriptional activity incubated for 24 hrs by dual-luciferase reporter gene assay
50007689	2	ChEMBL_1845467 (CHEMBL4345894)	Inhibition of RORgammat in human whole blood assessed as reduction in anti-CD3/anti-CD28 monoclonal antibodies/IL-18/IL-23-stimulated IL-17A production incubated for 2 days by mesoscale assay kit method
50007690	1	ChEMBL_1845470 (CHEMBL4345897)	Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay
50007690	2	ChEMBL_1845477 (CHEMBL4345904)	Inhibition of CYP3A4 (unknown origin)
50007690	3	ChEMBL_1845471 (CHEMBL4345898)	Inhibition of IDO1 in human A172 cells after 24 hrs in presence of IFNgamma by NFK green reagent based assay
50007690	4	ChEMBL_1845469 (CHEMBL4345896)	Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by RapidFire-Mass spectrometry
50007690	5	ChEMBL_1845501 (CHEMBL4345928)	Inhibition of TDO (unknown origin)
50007690	6	ChEMBL_1845502 (CHEMBL4345929)	Inhibition of IDO1 (unknown origin)
50007691	1	ChEMBL_1845553 (CHEMBL4345980)	Binding affinity to HIV1 NL4-3 capsid protein monomer by SPR analysis
50007691	2	ChEMBL_1845552 (CHEMBL4345979)	Binding affinity to HIV1 NL4-3 capsid protein hexamer by SPR analysis
50007692	1	ChEMBL_1845591 (CHEMBL4346018)	Inhibition of human eNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007692	2	ChEMBL_1845594 (CHEMBL4346021)	Inhibition of human iNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007692	3	ChEMBL_1845588 (CHEMBL4346015)	Inhibition of rat nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007692	4	ChEMBL_1845589 (CHEMBL4346016)	Inhibition of human nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007692	5	ChEMBL_1845590 (CHEMBL4346017)	Inhibition of mouse iNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007692	6	ChEMBL_1845596 (CHEMBL4346023)	Inhibition of rat nNOS D597N mutant expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for 30 sec by hemoglobin capture assay
50007693	1	ChEMBL_1845611 (CHEMBL4346038)	Displacement of [177Lu] PP-F11N from CCK2R (unknown origin) transfected in A431 cells incubated for 1 hr at 4 degree C followed by compound washout with PBS buffer using Lu3+ labeled compound by Cobra-2 gamma counter method
50007696	1	ChEMBL_1845622 (CHEMBL4346049)	Inhibition of recombinant human GST-tagged p300 HAT domain (1195 to 1673 residues) expressed in Escherichia coli BL21 codon plus cells using Histone H3 peptide (1 to 21) and [3H]acetyl-CoA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 mins by scintillation counting method
50007696	2	ChEMBL_1845630 (CHEMBL4346057)	Inhibition of recombinant human GST-tagged PCAF expressed in Escherichia coli BL21 codon plus cells using Histone H3 peptide (1 to 21) and [3H]acetyl-CoA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 mins by scintillation counting method
50007696	3	ChEMBL_1845623 (CHEMBL4346050)	Inhibition of N-terminal His-tagged human recombinant p300 catalytic domain (1284-1673 residues) using histone H4-8 peptide and [14C]acetyl CoA as substrate pretreated with enzyme and H4-8 peptide for 10 mins followed by [14C]acetyl CoA addition for 5 to 10 mins by phosphor-imaging analysis
50007696	4	ChEMBL_1845631 (CHEMBL4346058)	Inhibition of recombinant human GST-tagged Myst3 expressed in Escherichia coli BL21 codon plus cells using Histone H3 peptide (1 to 21) and [3H]acetyl-CoA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 mins by scintillation counting method
50007696	5	ChEMBL_1845680 (CHEMBL4346107)	Inhibition of p300 HAT domain (unknown origin) using Biotin-C6-GRGKGGKGLGKGGAK as substrate pretreated with enzyme for 30 mins followed by incubation with substrate for 1 hr by radiometric SPA analysis
50007696	6	ChEMBL_1845628 (CHEMBL4346055)	Inhibition of His6-tagged p300 HAT domain (unknown origin) assessed as disruption of p300 and Histone H4 (1-21) peptide interaction incubated for 1 hr by Alpha assay
50007696	7	ChEMBL_1845681 (CHEMBL4346108)	Inhibition of recombinant p300 catalytic domain (unknown origin) using histone H3 N-terminal peptide as substrate in presence of acetyl CoA by fluorescence based analysis
50007696	8	ChEMBL_1845629 (CHEMBL4346056)	Inhibition of recombinant human GST-tagged CBP HAT domain expressed in Escherichia coli BL21 codon plus cells using Histone H3 peptide (1 to 21) and [3H]acetyl-CoA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 mins by scintillation counting method
50007697	1	ChEMBL_1845696 (CHEMBL4346123)	Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	2	ChEMBL_1845691 (CHEMBL4346118)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	3	ChEMBL_1845689 (CHEMBL4346116)	Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	4	ChEMBL_1845690 (CHEMBL4346117)	Inhibition of recombinant human HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	5	ChEMBL_1845692 (CHEMBL4346119)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	6	ChEMBL_1845720 (CHEMBL4346147)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	7	ChEMBL_1845708 (CHEMBL4346135)	Inhibition of recombinant HDAC6 (unknown origin)
50007697	8	ChEMBL_1845699 (CHEMBL4346126)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	9	ChEMBL_1845695 (CHEMBL4346122)	Inhibition of recombinant full length human C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	10	ChEMBL_1845722 (CHEMBL4346149)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	11	ChEMBL_1845721 (CHEMBL4346148)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	12	ChEMBL_1845719 (CHEMBL4346146)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate preincubated for 90 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	13	ChEMBL_1845718 (CHEMBL4346145)	Inhibition of recombinant human HDAC1 using Boc-Lys(acetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	14	ChEMBL_1845717 (CHEMBL4346144)	Inhibition of recombinant human HDAC1 using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	15	ChEMBL_1845716 (CHEMBL4346143)	Inhibition of recombinant human HDAC1 using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	16	ChEMBL_1845707 (CHEMBL4346134)	Inhibition of recombinant HDAC9 (unknown origin)
50007697	17	ChEMBL_1845706 (CHEMBL4346133)	Inhibition of recombinant HDAC7 (unknown origin)
50007697	18	ChEMBL_1845704 (CHEMBL4346131)	Inhibition of recombinant HDAC4 (unknown origin)
50007697	19	ChEMBL_1845703 (CHEMBL4346130)	Inhibition of recombinant HDAC8 (unknown origin)
50007697	20	ChEMBL_1845701 (CHEMBL4346128)	Inhibition of recombinant HDAC2 (unknown origin)
50007697	21	ChEMBL_1845698 (CHEMBL4346125)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	22	ChEMBL_1845697 (CHEMBL4346124)	Inhibition of recombinant human HDAC5 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based micro plate reader analysis
50007697	23	ChEMBL_1845715 (CHEMBL4346142)	Inhibition of recombinant human HDAC1 using Boc-Lys(acetyl)-AMC as substrate preincubated for 90 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50007697	24	ChEMBL_1845705 (CHEMBL4346132)	Inhibition of recombinant HDAC5 (unknown origin)
50007697	25	ChEMBL_1845700 (CHEMBL4346127)	Inhibition of recombinant HDAC1 (unknown origin)
50007697	26	ChEMBL_1845702 (CHEMBL4346129)	Inhibition of recombinant HDAC3 (unknown origin)
50007698	1	ChEMBL_1845907 (CHEMBL4346334)	Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay
50007698	2	ChEMBL_1845906 (CHEMBL4346333)	Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay
50007698	3	ChEMBL_1845946 (CHEMBL4346373)	Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay
50007698	4	ChEMBL_1845944 (CHEMBL4346371)	Inhibition of N-terminal His6-tagged human BRD2 BD2 (348 to 455 residues) after 1 hr by TR-FRET assay
50007698	5	ChEMBL_1845945 (CHEMBL4346372)	Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay
50007698	6	ChEMBL_1845948 (CHEMBL4346375)	Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay
50007698	7	ChEMBL_1845949 (CHEMBL4346376)	Inhibition of NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HeLa cells after 2 hrs by NanoBRET assay
50007698	8	ChEMBL_1845969 (CHEMBL4346396)	Binding affinity to human BRD4 BD1 by isothermal calorimetry analysis
50007698	9	ChEMBL_1845943 (CHEMBL4346370)	Inhibition of N-terminal His6-tagged human BRD2 BD1 (73 to 194 residues) after 1 hr by TR-FRET assay
50007698	10	ChEMBL_1845947 (CHEMBL4346374)	Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay
50007698	11	ChEMBL_1845972 (CHEMBL4346399)	Inhibition of biotinylated H4 peptide binding to recombinant N-terminal Hist-tagged BRD4 BD2 (unknown origin) after 30 mins by AlphaScreen assay
50007698	12	ChEMBL_1845970 (CHEMBL4346397)	Binding affinity to human BRD4 BD2 by isothermal calorimetry analysis
50007698	13	ChEMBL_1845950 (CHEMBL4346377)	Inhibition of NanoLuc-tagged BRD4 BD2 (unknown origin) expressed in human HeLa cells after 2 hrs by NanoBRET assay
50007698	14	ChEMBL_1845971 (CHEMBL4346398)	Inhibition of biotinylated H4 peptide binding to recombinant N-terminal Hist-tagged BRD4 BD1 (unknown origin) after 30 mins by AlphaScreen assay
50007702	1	ChEMBL_1845977 (CHEMBL4346404)	Antagonist activity at recombinant human TAS2R8 stably expressed in cells co-expressing Galpha16gust44 assessed as inhibition of andrographolide-induced intracellular calcium level measured for 100 secs by fluo-4 dye based FLIPR assay
50007703	1	ChEMBL_1846020 (CHEMBL4346447)	Inhibition of fluorescent labeled tracer binding to Menin (unknown origin) after 1 hr by fluorescence polarization competitive binding assay
50007703	2	ChEMBL_1846024 (CHEMBL4346451)	Inhibition of menin (unknown origin) by fluorescence polarization assay
50007706	1	ChEMBL_1846040 (CHEMBL4346467)	Binding affinity to GST-tagged recombinant EPAC1 CNBD (169 to 318 residues) (unknown origin) expressed in Escherichia coli BL21 Star (DE3) incubated for 4 hrs by 8-NBD-cAMP competition binding assay
50007706	2	ChEMBL_1846044 (CHEMBL4346471)	Activation of recombinant EPAC1 (149 to 881 residues) (unknown origin) assessed as stimulation of dissociation of fluorescent MANT-GDP from recombinant Rap1b in presence of excess nonfluorescent nucleotides by fluorescence based in-vitro GEF assay
50007707	1	ChEMBL_1846126 (CHEMBL4346553)	Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by fluorimetry
50007707	2	ChEMBL_1846127 (CHEMBL4346554)	Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay
50007707	3	ChEMBL_1846128 (CHEMBL4346555)	Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence based assay
50007708	1	ChEMBL_1846151 (CHEMBL4346578)	Inhibition of human PRMT6 using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007708	2	ChEMBL_1846165 (CHEMBL4346592)	Inhibition of human PRMT8 using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007708	3	ChEMBL_1846162 (CHEMBL4346589)	Inhibition of human PRMT1 using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007708	4	ChEMBL_1846163 (CHEMBL4346590)	Inhibition of human PRMT3 using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007708	5	ChEMBL_1846164 (CHEMBL4346591)	Inhibition of human PRMT4 using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007708	6	ChEMBL_1846170 (CHEMBL4346597)	Inhibition of Flag-tagged PRMT6 (unknown origin) expressed in HEK293 cells incubated for 20 hrs assessed as reduction in H3R2me2a levels
50007708	7	ChEMBL_1846173 (CHEMBL4346600)	Inhibition of PRMT1 in human MCF7 cells assessed as reduction in H4R3me2a levels incubated for 2 days by fluorescence based assay
50007708	8	ChEMBL_1846152 (CHEMBL4346579)	Inhibition of human PRMT6 pre-incubated for 1 to 30 mins using [3H]SAM as donor and [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50007709	1	ChEMBL_1846264 (CHEMBL4346805)	Inhibition of CDK5/p35 (unknown origin)
50007709	2	ChEMBL_1846254 (CHEMBL4346795)	Inhibition of CDK1 (unknown origin)
50007709	3	ChEMBL_1846275 (CHEMBL4346816)	Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate measured after 45 mins in presence of [gamma33P]-ATP by liquid scintillation counting method
50007709	4	ChEMBL_1846242 (CHEMBL4346783)	Inhibition of human EGFR C-terminal domain
50007709	5	ChEMBL_1846263 (CHEMBL4346804)	Inhibition of CDK1/Cyclin B (unknown origin)
50007709	6	ChEMBL_1846249 (CHEMBL4346790)	Inhibition of recombinant full-length human C-terminal His6-tagged CDK1/human full-length N-terminal GST-tagged Cyclin B expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate measured after 2 hrs in presence of gamma[32P] ATP by topcount scintillation counting method
50007709	7	ChEMBL_1846233 (CHEMBL4346774)	Inhibition of recombinant human full-length C-terminal His6-tagged CDK3/full-length human N-terminal GST-tagged Cyclin E expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate
50007709	8	ChEMBL_1846230 (CHEMBL4346771)	Inhibition of human recombinant CDK2/untagged Cyclin A2 (174 to 432 residues) using GST-tagged pRB as substrate preincubated overnight followed by 8 hr dialysis and subsequent substrate addition and measured after 15 mins by ADP-glo assay
50007709	9	ChEMBL_1846277 (CHEMBL4346818)	Inhibition of recombinant CDK2/Cyclin E2 (unknown origin) expressed in baculovirus expression system using biotinylated-histone H1 as substrate measured after 60 mins by HTRF assay
50007709	10	ChEMBL_1846276 (CHEMBL4346817)	Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate measured after 1 hr in presence of [gamma33P]-ATP by liquid scintillation counting method
50007709	11	ChEMBL_1846274 (CHEMBL4346815)	Inhibition of GST-tagged CDK1/cyclin B1 (unknown origin) expressed in baculovirus expression system using histone H1 as substrate measured after 45 mins in presence of [gamma33P]ATP by liquid scintillation counting method
50007709	12	ChEMBL_1846271 (CHEMBL4346812)	Inhibition of CDK4/Cyclin D1 (unknown origin) using pRb (246 to 257 residues) as substrate in presence of [gamma33P]-ATP by topcount scintillation counting method
50007709	13	ChEMBL_1846265 (CHEMBL4346806)	Inhibition of CDK7/cyclin H (unknown origin)
50007709	14	ChEMBL_1846262 (CHEMBL4346803)	Inhibition of CDK2/Cyclin A (unknown origin)
50007709	15	ChEMBL_1846259 (CHEMBL4346800)	Inhibition of human recombinant full-length N-terminal His6-tagged CDK5/recombinant human full-length N-terminal GST-tagged p35 using biotinylated-histone H1 as substrate after 30 mins by DELFIA
50007709	16	ChEMBL_1846255 (CHEMBL4346796)	Inhibition of CDK2 (unknown origin)
50007709	17	ChEMBL_1846253 (CHEMBL4346794)	Inhibition of CDK4 (unknown origin)
50007709	18	ChEMBL_1846252 (CHEMBL4346793)	Inhibition of CDK3 (unknown origin)
50007709	19	ChEMBL_1846250 (CHEMBL4346791)	Inhibition of CDK1/Cyclin B (unknown origin) using histone H1 as substrate in presence of gamma[32P] ATP by phosphorimaging analysis
50007709	20	ChEMBL_1846248 (CHEMBL4346789)	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method
50007709	21	ChEMBL_1846244 (CHEMBL4346785)	Inhibition of CDK2/Cyclin A (unknown origin) using histone H1 as substrate in presence of gamma[32P] ATP by phosphorimaging analysis
50007709	22	ChEMBL_1846240 (CHEMBL4346781)	Inhibition of human recombinant N-terminal His6-tagged CDK2/Cyclin A expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate incubated for 10 mins in the presence of [gamma-33P] ATP
50007709	23	ChEMBL_1846236 (CHEMBL4346777)	Inhibition of human recombinant GST-tagged CDK2/cyclin E1
50007709	24	ChEMBL_1846234 (CHEMBL4346775)	Inhibition of human recombinant full-length N-terminal His6-tagged CDK5/recombinant human full-length N-terminal GST-tagged p35 using histone H1 as substrate
50007709	25	ChEMBL_1846232 (CHEMBL4346773)	Inhibition of recombinant human N-terminal thrombin cleavage site-fused/GST-tagged CDK2 (M1 to L298 residues)/Cyclin E1 (M1 to A395 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP
50007709	26	ChEMBL_1846228 (CHEMBL4346769)	Inhibition of recombinant human C-terminal His6-tagged full length CDK7/untagged recombinant full length human Cyclin H/N-terminal GST-tagged recombinant full length human MAT1 expressed in baculovirus infected Sf21 insect cells using cdk7 peptide as substrate
50007709	27	ChEMBL_1846227 (CHEMBL4346768)	Inhibition of CDK4/Cyclin D1 (unknown origin) using GST-tagged pRb (769 to 921 residues) as substrate measured after 30 mins by ELISA
50007709	28	ChEMBL_1846278 (CHEMBL4346819)	Inhibition of CDK1/cyclin B1 (unknown origin) using histone-h1 as substrate measured after 10 mins in presence of [gamma33P]ATP
50007709	29	ChEMBL_1846272 (CHEMBL4346813)	Inhibition of recombinant CDK2/Cyclin E (unknown origin) expressed in baculovirus infected Sf9 insect cells using pRb (246 to 257 residues) as substrate in presence of [gamma33P]-ATP by topcount scintillation counting method
50007709	30	ChEMBL_1846261 (CHEMBL4346802)	Inhibition of recombinant human N-terminal GST-tagged CDK4/Cyclin D1 expressed in baculovirus infected Spodoptera frugiperda insect cells using pRb as substrate
50007709	31	ChEMBL_1846260 (CHEMBL4346801)	Inhibition of CDK6/Cyclin D3 (unknown origin) using GST-tagged pRb (769 to 921 residues) as substrate measured after 30 mins by ELISA
50007709	32	ChEMBL_1846258 (CHEMBL4346799)	Inhibition of CDK9 (unknown origin)
50007709	33	ChEMBL_1846247 (CHEMBL4346788)	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method
50007709	34	ChEMBL_1846243 (CHEMBL4346784)	Inhibition of CDK2/Cyclin E (unknown origin)
50007709	35	ChEMBL_1846239 (CHEMBL4346780)	Inhibition of human recombinant full length His-tagged CDK9/cyclin K expressed in baculovirus expression system
50007709	36	ChEMBL_1846235 (CHEMBL4346776)	Inhibition of human recombinant full-length His-tagged CDK1/cyclin B1 expressed in baculovirus expression system
50007709	37	ChEMBL_1846229 (CHEMBL4346770)	Inhibition of recombinant human full-length C-terminal His6-tagged CDK9/human full-length untagged cyclin T1 expressed in baculovirus infected Sf21 insect cells using PDKtide as substrate
50007709	38	ChEMBL_1846226 (CHEMBL4346767)	Inhibition of human CDK2/Cyclin A expressed in baculovirus infected Sf9 insect cells
50007709	39	ChEMBL_1846281 (CHEMBL4346822)	Binding affinity to CDK2 (unknown origin)
50007709	40	ChEMBL_1846269 (CHEMBL4346810)	Inhibition of CDK9/Cyclin T (unknown origin)
50007709	41	ChEMBL_1846257 (CHEMBL4346798)	Inhibition of CDK5 (unknown origin)
50007709	42	ChEMBL_1846280 (CHEMBL4346821)	Binding affinity to wild-type CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells by isothermal titration calorimetric method
50007709	43	ChEMBL_1846245 (CHEMBL4346786)	Inhibition of CDK4/Cyclin D1 (unknown origin)
50007709	44	ChEMBL_1846237 (CHEMBL4346778)	Inhibition of human recombinant full-length GST/His-tagged CDK5/p25 expressed in baculovirus expression system by Z'-Lyte assay
50007709	45	ChEMBL_1846231 (CHEMBL4346772)	Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/Cyclin B1 (M1 to V433 residues) expressed in baculovirus infected Sf9 insect cells using histone 3s as substrate in presence of [gamma-33P] ATP
50007709	46	ChEMBL_1846238 (CHEMBL4346779)	Inhibition of human CDK6
50007709	47	ChEMBL_1846270 (CHEMBL4346811)	Inhibition of recombinant human CDK2/cyclin E expressed in baculovirus infected Sf21 insect cells using GST-tagged Rb protein (792 to 928 residues) as substrate measured after 60 mins presence of [gamma33P]ATP by scinitillation proximity assay
50007709	48	ChEMBL_1846241 (CHEMBL4346782)	Inhibition of CDK7 (unknown origin)
50007709	49	ChEMBL_1846251 (CHEMBL4346792)	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method
50007709	50	ChEMBL_1846279 (CHEMBL4346820)	Inhibition of CDK5/p25 (unknown origin) using histone-h1 as substrate measured after 10 mins in presence of [gamma33P]AT
50007709	51	ChEMBL_1846267 (CHEMBL4346808)	Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus infected insect cells using pRb (792 to 928 residues) as substrate
50007709	52	ChEMBL_1846246 (CHEMBL4346787)	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method
50007709	53	ChEMBL_1846273 (CHEMBL4346814)	Inhibition of recombinant human CDK1/cyclin B expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate in presence of [gamma33P]ATP by topcount scintillation counting method
50007710	1	ChEMBL_1846282 (CHEMBL4346823)	Displacement of [3H]DPCPX from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50007710	2	ChEMBL_1846313 (CHEMBL4346854)	Binding affinity to rat A3 adenosine receptor
50007710	3	ChEMBL_1846317 (CHEMBL4346858)	Displacement of [3H]NECA from recombinant mouse A3 adenosine receptor expressed in CHO cell membranes measured after 180 mins by liquid scintillation counting method
50007710	4	ChEMBL_1846291 (CHEMBL4346832)	Displacement of [3H]PSB-603 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	5	ChEMBL_1846292 (CHEMBL4346833)	Displacement of [3H]MSX-2 from recombinant human A2A adenosine receptor expressed in CHO cell membranes measured after 30 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	6	ChEMBL_1846293 (CHEMBL4346834)	Displacement of [3H]CCPA from recombinant human A1 adenosine receptor expressed in CHO cell membranes measured after 90 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	7	ChEMBL_1846295 (CHEMBL4346836)	Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	8	ChEMBL_1846294 (CHEMBL4346835)	Displacement of [3H]PSB-11 from recombinant human A3 adenosine receptor expressed in CHO cell membranes measured after 45 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	9	ChEMBL_1846311 (CHEMBL4346852)	Displacement of [3H]CGS21680 from A2A adenosine receptor in rat striatal membranes measured after 3 hrs in presence of adenosine deaminase
50007710	10	ChEMBL_1846312 (CHEMBL4346853)	Displacement of [3H]R-PIA from A1 adenosine receptor in rat brain membranes measured after 3 hrs in presence of adenosine deaminase
50007710	11	ChEMBL_1846314 (CHEMBL4346855)	Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillation counting method
50007710	12	ChEMBL_1846315 (CHEMBL4346856)	Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50007710	13	ChEMBL_1846316 (CHEMBL4346857)	Displacement of [3H]CCPA from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50007710	14	ChEMBL_1846320 (CHEMBL4346861)	Displacement of [3H]CCPA from recombinant human A1 adenosine receptor expressed in CHO cell membranes measured after 20 hrs by microplate filtration based radioligand binding assay
50007710	15	ChEMBL_1846321 (CHEMBL4346862)	Displacement of [3H]PSB-11 from recombinant human A3 adenosine receptor expressed in CHO cell membranes by radioligand binding assay
50007710	16	ChEMBL_1846323 (CHEMBL4346864)	Displacement of [3H]NECA from rat A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50007710	17	ChEMBL_1846296 (CHEMBL4346837)	Displacement of [3H]CCPA from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 90 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	18	ChEMBL_1846297 (CHEMBL4346838)	Displacement of [3H]NECA from recombinant mouse A3 adenosine receptor expressed in CHO cell membranes measured after 180 mins in presence of adenosine deaminase by liquid scintillation counting method
50007710	19	ChEMBL_1846284 (CHEMBL4346825)	Displacement of [3H]ZM241385 from recombinant human A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by topcount scintillation counting method
50007710	20	ChEMBL_1846286 (CHEMBL4346827)	Displacement of [3H]MRE3008-F20 from recombinant human A3 adenosine receptor expressed in CHO cell membranes measured after 120 mins by topcount scintillation counting method
50007710	21	ChEMBL_1846288 (CHEMBL4346829)	Displacement of [3H]ZM241385/[125I]IABOPX from recombinant human A2B adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs
50007710	22	ChEMBL_1846290 (CHEMBL4346831)	Displacement of [125I]IABA from recombinant human A3 adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs
50007710	23	ChEMBL_1846285 (CHEMBL4346826)	Displacement of [3H]DPCPX from recombinant human A2B adenosine receptor expressed in HEK293 cell membranes measured after 60 mins by topcount scintillation counting method
50007710	24	ChEMBL_1846283 (CHEMBL4346824)	Displacement of [3H]DPCPX from recombinant human A1 adenosine receptor expressed in CHO cell membranes measured after 120 mins by topcount scintillation counting method
50007710	25	ChEMBL_1846287 (CHEMBL4346828)	Displacement of [125I]IABA from recombinant human A1 adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs
50007710	26	ChEMBL_1846324 (CHEMBL4346865)	Displacement of [3H]CCPA from A1 adenosine receptor in rat cortex membranes measured after 60 mins by liquid scintillation counting method
50007710	27	ChEMBL_1846319 (CHEMBL4346860)	Displacement of [3H]MSX-2 from recombinant human A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50007710	28	ChEMBL_1846322 (CHEMBL4346863)	Displacement of [3H]PSB-603 from recombinant rat A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillation counting method
50007710	29	ChEMBL_1846310 (CHEMBL4346851)	Binding affinity to rat A2B adenosine receptor by radio-ligand displacement assay
50007710	30	ChEMBL_1846318 (CHEMBL4346859)	Displacement of [3H]ZM241385 from recombinant human A2B adenosine receptor expressed in CHO cell membranes measured after 30 mins by scintillation counting method
50007710	31	ChEMBL_1846289 (CHEMBL4346830)	Displacement of [125I]ZM241385 from recombinant human A2A adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs
50007712	1	ChEMBL_1846363 (CHEMBL4346904)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in metabolite formation using midazolam as substrate incubated for 10 mins in presence of NADPH by HPLC based mass spectrometric method
50007712	2	ChEMBL_1846368 (CHEMBL4346909)	Inhibition of CYP3A4 (unknown origin)
50007713	1	ChEMBL_1846389 (CHEMBL4346930)	Agonist activity at human TLR2 expressed in HEK-Blue cells assessed as activation of SEAP incubated for 24 hrs by quanti-blue SEAP assay
50007713	2	ChEMBL_1846399 (CHEMBL4346940)	Agonist activity at TLR1/2 in human THP-1 cells assessed as increase in TNF-alpha release incubated for 4 hrs by ELISA
50007714	1	ChEMBL_1846511 (CHEMBL4347052)	Inhibition of TEC (unknown origin)
50007714	2	ChEMBL_1846523 (CHEMBL4347064)	Inhibition of HCK (unknown origin)
50007714	3	ChEMBL_1846529 (CHEMBL4347070)	Inhibition of HER4 (unknown origin)
50007714	4	ChEMBL_1846516 (CHEMBL4347057)	Inhibition of BTK (unknown origin) in the presence of ATP by caliper mobility shift assay
50007714	5	ChEMBL_1846512 (CHEMBL4347053)	Inhibition of BMX (unknown origin)
50007714	6	ChEMBL_1846521 (CHEMBL4347062)	Inhibition of human recombinant SRC using Ulight-Poly GAT[EAY(1:1:1) as substrate measured after 10 mins in the presence of ATP by LANCE method
50007714	7	ChEMBL_1846518 (CHEMBL4347059)	Inhibition of BLK (unknown origin)
50007714	8	ChEMBL_1846522 (CHEMBL4347063)	Inhibition of human recombinant FYN using biotinyl-beta amyloid beta amyloid beta AYQAEENTYDEYEN as substrate measured after 60 mins in the presence of ATP by HTRF assay
50007714	9	ChEMBL_1846525 (CHEMBL4347066)	Inhibition of human recombinant LCK using Ulight-Poly GAT[EAY(1:1:1) as substrate measured after 10 mins in the presence of ATP by LANCE method
50007714	10	ChEMBL_1846527 (CHEMBL4347068)	Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD measured after 15 mins in the presence of ATP by LANCE method
50007714	11	ChEMBL_1846528 (CHEMBL4347069)	Inhibition of human recombinant HER2 using biotinyl-beta amyloid beta amyloid beta AAEEEEYFELVAKKK measured after 10 mins in the presence of ATP by HTRF assay
50007714	12	ChEMBL_1846530 (CHEMBL4347071)	Inhibition of human recombinant JAK3 using Ulight-CAGAGAIETDKEYYTVKD measured after 60 mins in the presence of ATP by LANCE method
50007714	13	ChEMBL_1846524 (CHEMBL4347065)	Inhibition of human recombinant LYN using biotinyl-beta amyloid beta amyloid beta AKVEKIGEGTYGVVYK as substrate measured after 120 mins in the presence of ATP by HTRF assay
50007714	14	ChEMBL_1846520 (CHEMBL4347061)	Inhibition of human recombinant TXK using Ulight-Poly GAT[EAY(1:1:1) as substrate measured after 30 mins in the presence of ATP by LANCE method
50007714	15	ChEMBL_1846517 (CHEMBL4347058)	Inhibition of human recombinant ITK using Ulight-TK peptide as substrate measured after 30 mins in the presence of ATP by LANCE method
50007714	16	ChEMBL_1846519 (CHEMBL4347060)	Inhibition of human recombinant FGR using Ulight-TK peptide as substrate measured after 60 mins in the presence of ATP by LANCE method
50007714	17	ChEMBL_1846526 (CHEMBL4347067)	Inhibition of human recombinant YES using biotinyl-beta amyloid beta amyloid beta AYQAEENTYDEYEN as substrate measured after 30 mins in the presence of ATP by HTRF assay
50007716	1	ChEMBL_1846641 (CHEMBL4347182)	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay
50007716	2	ChEMBL_1846642 (CHEMBL4347183)	Inhibition of Sprague-Dawley rat 5-LOX assessed as calcium ionophore A23187-stimulated LTB4 production preincubated for 30 mins followed by calcium ionophore A23187 addition and measured after 30 mins by ELISA
50007716	3	ChEMBL_1846643 (CHEMBL4347184)	Inhibition of COX1 (unknown origin) using arachidonic acid as substrate incubated for 10 mins by Ellman's reagent based COX-1/COX-2 ELISA assay
50007717	1	ChEMBL_1846734 (CHEMBL4347275)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay
50007717	2	ChEMBL_1846735 (CHEMBL4347276)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of CA-induced increase in calcium influx incubated for 10 mins prior to CA addition by Fluo-4-AM dye based fluorescence assayy
50007717	3	ChEMBL_1846744 (CHEMBL4347285)	Agonist activity at human TRPA1 in WI38 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay
50007717	4	ChEMBL_1846738 (CHEMBL4347279)	Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibition in WS5-induced increase in calcium influx incubated for 10 mins prior to WS5 challenge by Fluo-4-AM dye based fluorescence assay
50007717	5	ChEMBL_1846745 (CHEMBL4347286)	Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by Fluo-3 based FLIPR analysis
50007717	6	ChEMBL_1846747 (CHEMBL4347288)	Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by patch clamp electrophysiology method
50007717	7	ChEMBL_1846730 (CHEMBL4347271)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by calcium-3 dye based FLIPR analysis
50007717	8	ChEMBL_1846748 (CHEMBL4347289)	Agonist activity at human TRPA1 expressed in HEK293 assessed as increase in calcium influx by two electrode voltage clamp method
50007717	9	ChEMBL_1846750 (CHEMBL4347291)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Calcium-5 dye based fluorescence assay
50007717	10	ChEMBL_1846753 (CHEMBL4347294)	Agonist activity at human TRPA1 expressed in CHO cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay
50007717	11	ChEMBL_1846754 (CHEMBL4347295)	Antagonist activity at human TRPA1 expressed in HEK293F cells assessed as inhibition of AITC-induced increase in calcium influx by FLIPR analysis in presence of 30 uM AITC
50007717	12	ChEMBL_1846755 (CHEMBL4347296)	Antagonist activity at human TRPA1 expressed in CHO cells assessed as inhibition of CA-induced increase in calcium influx by Fluo-4 dye based FLIPR analysis in presence of 50 uM CA
50007717	13	ChEMBL_1846746 (CHEMBL4347287)	Agonist activity at human TRPA1 expressed in Xenopus oocytes assessed as increase in calcium influx by two electrode voltage clamp method
50007717	14	ChEMBL_1846752 (CHEMBL4347293)	Agonist activity at human TRPA1 expressed in HEK293F cells assessed as increase in calcium influx by FLIPR analysis
50007717	15	ChEMBL_1846731 (CHEMBL4347272)	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in calcium influx by fluorescence analysis in presence of 5 uM AITC
50007717	16	ChEMBL_1846751 (CHEMBL4347292)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-3/acetoxymethyl ester dye based FLIPR analysis
50007717	17	ChEMBL_1846749 (CHEMBL4347290)	Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by FLIPR analysis
50007718	1	ChEMBL_1847055 (CHEMBL4347596)	Inhibition of recombinant human JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE assay
50007718	2	ChEMBL_1847057 (CHEMBL4347598)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007718	3	ChEMBL_1847060 (CHEMBL4347601)	Inhibition of recombinant human JAK1 using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE assay
50007718	4	ChEMBL_1847062 (CHEMBL4347603)	Inhibition of recombinant human TYK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE assay
50007718	5	ChEMBL_1847064 (CHEMBL4347605)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007718	6	ChEMBL_1847065 (CHEMBL4347606)	Inhibition of HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007718	7	ChEMBL_1847061 (CHEMBL4347602)	Inhibition of recombinant human JAK3 using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE assay
50007718	8	ChEMBL_1847063 (CHEMBL4347604)	Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50007718	9	ChEMBL_1847051 (CHEMBL4347592)	Inhibition of recombinant human HDAC6 using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate
50007719	1	ChEMBL_1847302 (CHEMBL4347843)	Inhibition of porcine brain tubulin polymerization preincubated before GTP addition and measured at 1 min intervals for 90 mins by fluorescence based assay
50007721	1	ChEMBL_1847434 (CHEMBL4347975)	Inhibition of human COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition by ELISA
50007721	2	ChEMBL_1847433 (CHEMBL4347974)	Inhibition of human COX1 assessed as reduction in PGF2alpha production using arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition by ELISA
50007722	1	ChEMBL_1847486 (CHEMBL4348027)	Inhibition of recombinant HGFA serine protease domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay
50007722	2	ChEMBL_1847474 (CHEMBL4348015)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate pretreated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50007722	3	ChEMBL_1847487 (CHEMBL4348028)	Inhibition of recombinant human matriptase preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay
50007722	4	ChEMBL_1847488 (CHEMBL4348029)	Inhibition of recombinant human hepsin preincubated for 30 mins followed by Boc-QLR-AMC substrate addition by fluorescence assay
50007722	5	ChEMBL_1847489 (CHEMBL4348030)	Inhibition of recombinant thrombin (unknown origin) preincubated for 30 mins followed by chromogenic substrate addition by fluorescence assay
50007722	6	ChEMBL_1847490 (CHEMBL4348031)	Inhibition of recombinant factor 10a (unknown origin) preincubated for 30 mins followed by chromogenic substrate addition by fluorescence assay
50007722	7	ChEMBL_1847478 (CHEMBL4348019)	Inhibition of SRC (unknown origin) by Z'-LYTE assay
50007723	1	ChEMBL_1847766 (CHEMBL4348307)	Inhibition of Escherichia coli FabH in presence of radiolabelled substrates and acetyl-coA by enzyme coupled FabD/FabH assay system
50007727	1	ChEMBL_1847823 (CHEMBL4348364)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins after substrate addition by HPLC analysis
50007728	1	ChEMBL_1847878 (CHEMBL4348419)	Competitive displacement of [3H]R1881 from human AR-LBD expressed in LNCaP cells incubated for 24 hrs by scintillation counting method based radioligand competitive binding assay
50007729	1	ChEMBL_1847903 (CHEMBL4348444)	Inhibition of human thymidylate synthase using dUMP as substrate by spectrophotometric method
50007730	1	ChEMBL_1847949 (CHEMBL4348490)	Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	2	ChEMBL_1847937 (CHEMBL4348478)	Inhibition of N-terminal GST-tagged human ROS1 cytoplasmic domain (1883 to 2347 residues) expressed in Baculovirus expression system using IRS1 as substrate incubated for 1 hr by mobility shift assay
50007730	3	ChEMBL_1847939 (CHEMBL4348480)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in Baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	4	ChEMBL_1847951 (CHEMBL4348492)	Inhibition of N-terminal GST-tagged human ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	5	ChEMBL_1847956 (CHEMBL4348497)	Inhibition of N-terminal GST-tagged human JAK2 catalytic domain (826 to 1132 residues) expressed in Baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	6	ChEMBL_1847950 (CHEMBL4348491)	Inhibition of N-terminal GST-tagged human ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	7	ChEMBL_1847955 (CHEMBL4348496)	Inhibition of N-terminal GST-tagged full length human CDK4 (1 to 303 residues) expressed in Baculovirus expression system using DYRKtide F as substrate incubated for 1 hr by mobility shift assay
50007730	8	ChEMBL_1847957 (CHEMBL4348498)	Inhibition of N-terminal GST-tagged human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 1 hr by mobility shift assay
50007730	9	ChEMBL_1847958 (CHEMBL4348499)	Inhibition of N-terminal GST-tagged human IGF1R cytoplasmic domain (959 to 1367 residues) expressed in baculovirus expression system using IRS1 as substrate incubated for 1 hr by mobility shift assay
50007730	10	ChEMBL_1847938 (CHEMBL4348479)	Inhibition of FGFR (unknown origin) incubated for 1 hr by mobility shift assay
50007730	11	ChEMBL_1847959 (CHEMBL4348500)	Inhibition of N-terminal GST-tagged full length human BTK (2 to 659 residues) expressed in Baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007730	12	ChEMBL_1847953 (CHEMBL4348494)	Inhibition of N-terminal GST-tagged human c-MET cytoplasmic domain (956 to 1390 residues) expressed in Baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50007731	1	ChEMBL_1847979 (CHEMBL4348520)	Inhibition of ovine COX1 assessed as reduction in oxidized TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetric assay
50007731	2	ChEMBL_1847980 (CHEMBL4348521)	Inhibition of ovine COX2 assessed as reduction in oxidized TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetric assay
50007732	1	ChEMBL_1848013 (CHEMBL4348554)	Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells
50007732	2	ChEMBL_1848028 (CHEMBL4348569)	Positive allosteric modulation of human GABA-A alpha1beta2gamma2S receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced chloride channel current by two-electrode voltage clamp method relative to control
50007732	3	ChEMBL_1848025 (CHEMBL4348566)	Positive allosteric modulation of human recombinant GABA-A alpha1beta2gamma2L receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method
50007732	4	ChEMBL_1848020 (CHEMBL4348561)	Inverse agonist activity at recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay
50007732	5	ChEMBL_1848019 (CHEMBL4348560)	Displacement of [3H]Ro15-1788 from recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay
50007732	6	ChEMBL_1848014 (CHEMBL4348555)	Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells
50007732	7	ChEMBL_1848011 (CHEMBL4348552)	Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells
50007734	1	ChEMBL_1848050 (CHEMBL4348591)	Inhibition of Pseudomonas aeruginosa PqsR
50007734	2	ChEMBL_1848049 (CHEMBL4348590)	Inhibition of Pseudomonas aeruginosa PqsD
50007734	3	ChEMBL_1848045 (CHEMBL4348586)	Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)
50007738	1	ChEMBL_1848069 (CHEMBL4348610)	Binding affinity to purified human ERalpha LBD assessed as dissociation constant incubated for 2 hrs by fluorescence tracer based competitive fluorometric binding assay
50007738	2	ChEMBL_1848070 (CHEMBL4348611)	Binding affinity to ERbeta (unknown origin) assessed as dissociation constant incubated for 2 hrs by fluorescence tracer based competitive fluorometric binding assay
50007741	1	ChEMBL_1848157 (CHEMBL4348698)	Inhibition of PIM1 (unknown origin) up to 120 mins by Michaelis-Menten plot analysis
50007741	2	ChEMBL_1848155 (CHEMBL4348696)	Inhibition of PIM1 (unknown origin)
50007741	3	ChEMBL_1848163 (CHEMBL4348704)	Inhibition of human PIM1 by ELISA
50007741	4	ChEMBL_1848164 (CHEMBL4348705)	Inhibition of N-terminal GST-tagged recombinant human full length Pim-1 expressed in Escherichia coli cells
50007743	1	ChEMBL_1848166 (CHEMBL4348707)	Inhibition of human topoisomerase 1 using supercoiled pBR322 plasmid DNA as substrate after 15 mins by ethidium bromide staining based agarose gel electrophoresis method
50007743	2	ChEMBL_1848170 (CHEMBL4348711)	Inhibition of human topoisomerase 2 by decatenation assay
50007746	1	ChEMBL_1848172 (CHEMBL4348713)	Inhibition of urea transporter B in Sprague-Dawley rat erythrocytes incubated for 6 mins by spectrophotometric analysis based erythrocyte lysis assay
50007746	2	ChEMBL_1848171 (CHEMBL4348712)	Inhibition of urea transporter B in human erythrocytes incubated for 6 mins by spectrophotometric analysis based erythrocyte lysis assay
50007747	1	ChEMBL_1848179 (CHEMBL4348720)	Inhibition of CDK7 (unknown origin)
50007747	2	ChEMBL_1848186 (CHEMBL4348727)	Inhibition of CDK2/CyclinA (unknown origin) assessed as reduction in TAMRA tagged peptide substrate phosphorylation by fluorescence polarization assay
50007747	3	ChEMBL_1848176 (CHEMBL4348717)	Inhibition of CDK4 (unknown origin)
50007747	4	ChEMBL_1848200 (CHEMBL4348741)	Inhibition of wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system assessed as residual activity at 50 nM by Kinomescan method relative to control
50007747	5	ChEMBL_1848174 (CHEMBL4348715)	Inhibition of CDK1 (unknown origin)
50007747	6	ChEMBL_1848175 (CHEMBL4348716)	Inhibition of CDK2 (unknown origin)
50007747	7	ChEMBL_1848177 (CHEMBL4348718)	Inhibition of CDK5 (unknown origin)
50007747	8	ChEMBL_1848178 (CHEMBL4348719)	Inhibition of CDK6 (unknown origin)
50007747	9	ChEMBL_1848180 (CHEMBL4348721)	Inhibition of CDK9 (unknown origin)
50007747	10	ChEMBL_1848181 (CHEMBL4348722)	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method
50007747	11	ChEMBL_1848182 (CHEMBL4348723)	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method
50007747	12	ChEMBL_1848183 (CHEMBL4348724)	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method
50007747	13	ChEMBL_1848201 (CHEMBL4348742)	Inhibition of wild-type human partial length PIM1 (A15 to K313 residues) expressed in bacterial expression system assessed as residual activity at 50 nM by Kinomescan method relative to control
50007747	14	ChEMBL_1848202 (CHEMBL4348743)	Inhibition of wild-type human partial length HIPK1 (M146 to I555 residues) expressed in mammalian expression system assessed as residual activity at 50 nM by Kinomescan method relative to control
50007747	15	ChEMBL_1848185 (CHEMBL4348726)	Inhibition of CDK4/CyclinD1 (unknown origin) assessed as reduction in retinoblastoma phosphorylation at S473 residue by ELISA
50007747	16	ChEMBL_1848184 (CHEMBL4348725)	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method
50007747	17	ChEMBL_1848203 (CHEMBL4348744)	Inhibition of wild-type human full length CAMK1A (M1 to L370 residues) expressed in bacterial expression system assessed as residual activity at 50 nM by Kinomescan method relative to control
50007748	1	ChEMBL_1848218 (CHEMBL4348759)	Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide substrate incubated for 60 mins by ADP-Glo assay
50007750	1	ChEMBL_1848240 (CHEMBL4348781)	Inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	2	ChEMBL_1848245 (CHEMBL4348786)	Inhibition of human recombinant GST-tagged SHP1 (catalytic domain 244 to 570 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	3	ChEMBL_1848243 (CHEMBL4348784)	Inhibition of human recombinant GST-tagged TCPTP (catalytic domain 41 to 1075 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	4	ChEMBL_1848247 (CHEMBL4348788)	Inhibition of human recombinant GST-tagged LAR (catalytic domain 1275 to 1613 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	5	ChEMBL_1848246 (CHEMBL4348787)	Inhibition of human recombinant GST-tagged SHP2 (catalytic domain 1116 to 2162 residues) expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	6	ChEMBL_1848244 (CHEMBL4348785)	Inhibition of human recombinant GST-tagged CDC25B expressed in Escherichia coli BL21 (DE3) using pNPP as substrate measured for 2 mins by colorimetric analysis
50007750	7	ChEMBL_1848252 (CHEMBL4348793)	Competitive inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli BL21 (DE3) using pNPP as substrate assessed as inhibitor constant measured for 2 mins by colorimetric analysis
50007751	1	ChEMBL_1848289 (CHEMBL4348830)	Inhibition of N-terminal His6-tagged recombinant full length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50007751	2	ChEMBL_1848290 (CHEMBL4348831)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50007751	3	ChEMBL_1848291 (CHEMBL4348832)	Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated for 20 mins followed by anti-IgM antibody stimulation and measured after 30 mins by alphascreen assay
50007751	4	ChEMBL_1848297 (CHEMBL4348838)	Inhibition of PDE3 (unknown origin)
50007751	5	ChEMBL_1848299 (CHEMBL4348840)	Inhibition of PDE5 (unknown origin)
50007751	6	ChEMBL_1848294 (CHEMBL4348835)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in antihuman IgE antibody-stimulated CD63 expression preincubated for 30 mins followed by antihuman IgE antibody stimulation and measured after 20 mins by FACS analysis
50007751	7	ChEMBL_1848302 (CHEMBL4348843)	Inhibition of PDE8 (unknown origin)
50007751	8	ChEMBL_1848305 (CHEMBL4348846)	Inhibition of PDE11 (unknown origin)
50007751	9	ChEMBL_1848303 (CHEMBL4348844)	Inhibition of PDE9 (unknown origin)
50007751	10	ChEMBL_1848304 (CHEMBL4348845)	Inhibition of PDE10 (unknown origin)
50007751	11	ChEMBL_1848293 (CHEMBL4348834)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-CD79b antibody-induced CD69 expression preincubated for 60 mins followed by anti-CD79b antibody stimulation and measured after 3 hrs by FACS analysis
50007751	12	ChEMBL_1848295 (CHEMBL4348836)	Inhibition of PDE1 (unknown origin)
50007751	13	ChEMBL_1848296 (CHEMBL4348837)	Inhibition of PDE2 (unknown origin)
50007751	14	ChEMBL_1848298 (CHEMBL4348839)	Inhibition of PDE4 (unknown origin)
50007751	15	ChEMBL_1848300 (CHEMBL4348841)	Inhibition of PDE6 (unknown origin)
50007751	16	ChEMBL_1848301 (CHEMBL4348842)	Inhibition of PDE7 (unknown origin)
50007752	1	ChEMBL_1848543 (CHEMBL4349084)	Inhibition of recombinant human COX2 by EIA
50007752	2	ChEMBL_1848540 (CHEMBL4349081)	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation
50007752	3	ChEMBL_1848544 (CHEMBL4349085)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-a-d-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by spectrophotometric analysis
50007752	4	ChEMBL_1848542 (CHEMBL4349083)	Inhibition of ovine COX1 by EIA
50007752	5	ChEMBL_1848545 (CHEMBL4349086)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate addition
50007753	1	ChEMBL_1848550 (CHEMBL4349091)	Inhibition of Kinase Tracer 236 binding to recombinant human full-length GST-tagged TTk expressed in baculovirus expression system measured after 1 hr by LanthaScreen Eu--kinase binding assay
50007753	2	ChEMBL_1848552 (CHEMBL4349093)	Inhibition of TTK autophosphorylation in human CAL51 cells by radioimmuno-precipitation assay
50007753	3	ChEMBL_1848564 (CHEMBL4349105)	Inhibition of recombinant human full length GST-tagged DYRK3 expressed in baculovirus expression system by Z'-LYTE assay
50007753	4	ChEMBL_1848554 (CHEMBL4349095)	Inhibition of TTK in human CAL51 cells assessed as decrease in phosphorylated TTK T686 levels after 1 hr by Western blot analysis
50007753	5	ChEMBL_1848560 (CHEMBL4349101)	Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate measured after 1 hr by Alexa fluor-647 ADP tracer-based ADAPTA assay
50007753	6	ChEMBL_1848566 (CHEMBL4349107)	Inhibition of recombinant human full length N-terminal GST-tagged JNK3 expressed in baculovirus expression system by Z'-LYTE assay
50007753	7	ChEMBL_1848568 (CHEMBL4349109)	Inhibition of recombinant human full length His-tagged TSSK1 expressed in baculovirus expression system by Z'-LYTE assay
50007753	8	ChEMBL_1848570 (CHEMBL4349111)	Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system by Z'-LYTE assay
50007753	9	ChEMBL_1848572 (CHEMBL4349113)	Inhibition of recombinant human GST-tagged LTK cytoplasmic domain (450 to 864 residues) expressed in baculovirus expression system by Z'-LYTE assay
50007753	10	ChEMBL_1848553 (CHEMBL4349094)	Inhibition of TTK in human CAL51 cells assessed as decrease in phosphorylated KNL-1 T943 levels after 1 hr by Western blot analysis
50007753	11	ChEMBL_1848555 (CHEMBL4349096)	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate measured after 1 hr by Alexa-fluor-647 ADP tracer-based ADAPTA assay
50007753	12	ChEMBL_1848562 (CHEMBL4349103)	Inhibition of recombinant human full length His-tagged JNK2 expressed in baculovirus expression system by Z'-LYTE assay
50007753	13	ChEMBL_1848558 (CHEMBL4349099)	Inhibition of recombinant human full length His-tagged JNK1 expressed in baculovirus expression system by Z'-LYTE assay
50007754	1	ChEMBL_1848597 (CHEMBL4349138)	Inhibition of kinase tracer 236 binding to recombinant full length GST-tagged human ITK cytoplasmic domain expressed in baculovirus expression system incubated for 60 mins by Lanthascreen assay
50007754	2	ChEMBL_1848598 (CHEMBL4349139)	Inhibition of recombinant human N-terminal His6-tagged ITK (352 to 617 residues) expressed in baculovirus infected Sf21 insect cells using STK substrate by HTRF assay
50007754	3	ChEMBL_1848600 (CHEMBL4349141)	Inhibition of recombinant human N-terminal His6-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf21 cells using STK as substrate by HTRF assay
50007754	4	ChEMBL_1848599 (CHEMBL4349140)	Inhibition of recombinant human full-length N-terminal His6-tagged BTK expressed in baculovirus infected Sf21 insect cells using STK substrate by HTRF assay
50007754	5	ChEMBL_1848601 (CHEMBL4349142)	Inhibition of recombinant human N-terminal GST-tagged EGFR kinase domain (696 to end residues) expressed in baculovirus infected Sf21 insect cells using STK as substrate by HTRF assay
50007754	6	ChEMBL_1848602 (CHEMBL4349143)	Inhibition of BLK (unknown origin) using STK as substrate by HTRF assay
50007754	7	ChEMBL_1848657 (CHEMBL4349198)	Inhibition of recombinant full length human C-terminal His-tagged LCK cytoplasmic domain expressed in baculovirus expression system using fluorophore-labeled tyrosine-2 peptide as substrate incubated for 60 mins by Z'-LYTE assay
50007754	8	ChEMBL_1848658 (CHEMBL4349199)	Inhibition of recombinant full-length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using fluorophore-labeled tyrosine-1 peptide as substrate incubated for 60 mins by Z'-LYTE assay
50007754	9	ChEMBL_1848656 (CHEMBL4349197)	Inhibition of tracer 222 binding to recombinant full-length human His-tagged MAP3K7/MAP3K7IP1 (437 to 504 residues) expressed in baculovirus expression system by Lanthascreen assay
50007758	1	ChEMBL_1848659 (CHEMBL4349200)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by horse-radish peroxidase-coupled amplex red reagent-based fluorescence spectrophotometric method
50007758	2	ChEMBL_1848660 (CHEMBL4349201)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by horse-radish peroxidase-coupled amplex red reagent-based fluorescence spectrophotometric method
50007759	1	ChEMBL_1848676 (CHEMBL4349217)	Competitive inhibition of soluble epoxide hydrolase (unknown origin)
50007759	2	ChEMBL_1848682 (CHEMBL4349223)	Inhibition of human MetAP2
50007759	3	ChEMBL_1848693 (CHEMBL4349234)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method
50007759	4	ChEMBL_1848696 (CHEMBL4349237)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins
50007759	5	ChEMBL_1848694 (CHEMBL4349235)	Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins
50007759	6	ChEMBL_1848695 (CHEMBL4349236)	Displacement of [3H]Mesulergine from recombinant human 5-HT2C receptor expressed in CHO-K1 cell membranes after 60 mins
50007759	7	ChEMBL_1848697 (CHEMBL4349238)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 60 mins
50007759	8	ChEMBL_1848698 (CHEMBL4349239)	Displacement of [3H]Imipramine from human 5-HT transporter expressed in HEK-293 cell membranes after 30 mins
50007759	9	ChEMBL_1848688 (CHEMBL4349229)	Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in CHO-K1 cell membranes after 60 mins by microbeta counting method
50007760	1	ChEMBL_1848737 (CHEMBL4349278)	Transactivation of GAL4-tagged human PPARgamma expressed in African green monkey COS7 cells after 36 hrs by luciferase reporter gene assay
50007760	2	ChEMBL_1848739 (CHEMBL4349280)	Inhibition of soluble epoxide hydrolase (unknown origin)
50007760	3	ChEMBL_1848738 (CHEMBL4349279)	Inhibition of AT1 receptor (unknown origin)
50007762	1	ChEMBL_1848778 (CHEMBL4349319)	Inhibition of recombinant human HK2 expressed in Escherichia coli BL21(DE3) using glucose as substrate preincubated for 10 mins followed by substrate addition in presence of ATP by G6PDH/NADP coupled assay
50007762	2	ChEMBL_1848799 (CHEMBL4349340)	Binding affinity to recombinant human HK2 expressed in Escherichia coli BL21(DE3) assessed as dissociation constant measured after 15 mins by microscale thermophoresis assay
50007763	1	ChEMBL_1848820 (CHEMBL4349361)	Inhibition of Escherichia coli DNA gyrase super-coiling activity using pBR322 DNA as substrate after 30 mins by fluorescence assay
50007764	1	ChEMBL_1848854 (CHEMBL4349395)	Inhibition of avian influenza A virus neuraminidase using fluorescent substrate preincubated for 10 mins followed by substrate addition and incubated for 30 mins by fluorescence assay
50007765	1	ChEMBL_1848857 (CHEMBL4349398)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50007765	2	ChEMBL_1848863 (CHEMBL4349404)	Inhibition of recombinant human topoisomerase-1-mediated relaxation of supercoiled pRYG DNA after 30 mins by ethidium bromide staining based assay
50007767	1	ChEMBL_1848867 (CHEMBL4349408)	Binding affinity to VHL in human THP-1 cells
50007767	2	ChEMBL_1848888 (CHEMBL4349429)	Binding affinity to BRD4 (unknown origin)
50007767	3	ChEMBL_1848889 (CHEMBL4349430)	Binding affinity to CRBN (unknown origin)
50007769	1	ChEMBL_1848896 (CHEMBL4349437)	Inhibition of mouse P2Y14 receptor in presence of 2% HSA
50007769	2	ChEMBL_1848890 (CHEMBL4349431)	Inhibition of mouse P2Y14 receptor
50007769	3	ChEMBL_1848897 (CHEMBL4349438)	Inhibition of human P2Y14 receptor expressed in CHO cells by fluorescence assay
50007770	1	ChEMBL_1848918 (CHEMBL4349459)	Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting assay
50007770	2	ChEMBL_1848906 (CHEMBL4349447)	Inhibition of TRKA (unknown origin) using poly GT as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET Assay
50007770	3	ChEMBL_1848915 (CHEMBL4349456)	Inhibition of N- terminal GST-tagged human TRKB cytoplasmic domain (456 to 822 end residues) expressed in baculovirus expression system using TK peptide as substrate after 60 mins by HTRF assay
50007770	4	ChEMBL_1848933 (CHEMBL4349474)	Inhibition of human TRKA expressed in human AD293 cells assessed as reduction in TrkA phosphorylation at Tyr490 residues preincubated for 20 mins followed by NGF-stimulation measure after 5 mins by ELISA
50007770	5	ChEMBL_1848923 (CHEMBL4349464)	Inhibition of NTRK1 in human KM12 cells
50007770	6	ChEMBL_1848925 (CHEMBL4349466)	Inhibition TRKA (unknown origin)
50007770	7	ChEMBL_1848919 (CHEMBL4349460)	Inhibition of TRKB (unknown origin)
50007770	8	ChEMBL_1848921 (CHEMBL4349462)	Inhibition of recombinant His-tagged human TRKA cytoplasmic domain (441 to 796 residues) expressed in baculovirus expression system using biotin labelled TK peptide preincubated for 20 mins followed by substrate addition by HTRF assay
50007770	9	ChEMBL_1848922 (CHEMBL4349463)	Inhibition of human TRKA expressed in human TF1 cells by CellTiter-Glo Luminescent assay
50007770	10	ChEMBL_1848924 (CHEMBL4349465)	Inhibition of recombinant N- terminal GST-tagged human NTRK1 expressed in baculovirus infected Sf9 cells using Poly(Glu:Tyr) as substrate after 45 mins
50007770	12	ChEMBL_1848929 (CHEMBL4349470)	Inhibition of TRKA/TRKB (unknown origin)
50007770	13	ChEMBL_1848930 (CHEMBL4349471)	Inhibition of recombinant C-terminal His6-tagged human JAK2 (808 to end residues) expressed in baculovirus infected SF21 insect cells using Tyr 1054/1055 biotinylated peptide as substrate after 60 mins by Alphascreen assay
50007770	14	ChEMBL_1848931 (CHEMBL4349472)	Inhibition of TRKC (unknown origin)
50007770	15	ChEMBL_1848945 (CHEMBL4349486)	Inhibition of c-RAF (unknown origin)
50007770	16	ChEMBL_1848914 (CHEMBL4349455)	Inhibition of N- terminal GST-tagged human TRKA cytoplasmic domain (436 to 790 end residues) using TK peptide as substrate after 60 mins by HTRF assay
50007770	17	ChEMBL_1848916 (CHEMBL4349457)	Inhibition of N- terminal GST-tagged human TRKC catalytic domain (456 to 825 end residues) expressed in baculovirus expression system using TK peptide as substrate after 60 mins by HTRF assay
50007770	18	ChEMBL_1848917 (CHEMBL4349458)	Inhibition of N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 end residues) expressed in baculovirus expression system using TK peptide as substrate after 120 mins by HTRF assay
50007770	19	ChEMBL_1848920 (CHEMBL4349461)	Inhibition of BTK (unknown origin)
50007770	20	ChEMBL_1848927 (CHEMBL4349468)	Inhibition of human TRKA expressed in human MCF10A cells by ELISA
50007770	21	ChEMBL_1848946 (CHEMBL4349487)	Inhibition of cSRC (unknown origin)
50007770	22	ChEMBL_1848902 (CHEMBL4349443)	Inhibition of TRKA (unknown origin) assessed as reduction in incorporation of [33P]PO4 from [gamma-33P]-ATP using poly-EAY peptide as substrate by Fluor 236 probe based fluorescence assay
50007770	23	ChEMBL_1848900 (CHEMBL4349441)	Inhibition of aurora A (unknown origin)
50007771	2	ChEMBL_1849026 (CHEMBL4349567)	Inhibition of MPS1 (510 to 857 residues) catalytic domain (unknown origin) expressed in Escherichia coli after 15 mins by mass-spectrometry analysis
50007771	3	ChEMBL_1849025 (CHEMBL4349566)	Inhibition of MPS1 (unknown origin) using biotin-AhxPWDPDDADITEILG-NH2 as substrate preincubated for 15 mins followed by substrate addition by TR-FRET assay
50007771	4	ChEMBL_1849016 (CHEMBL4349557)	Inhibition of MPS1 (unknown origin)
50007771	5	ChEMBL_1849000 (CHEMBL4349541)	Inhibition of MPS1 (unknown origin) in presence of 10 uM ATP
50007771	6	ChEMBL_1849011 (CHEMBL4349552)	Inhibition of glioblastoma patient derived MPS1
50007771	7	ChEMBL_1849003 (CHEMBL4349544)	Inhibition of MPS1 (519 to 808 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 18 hrs
50007771	8	ChEMBL_1848998 (CHEMBL4349539)	Inhibition of MPS1 (unknown origin) in presence of 1 mM ATP
50007771	9	ChEMBL_1849002 (CHEMBL4349543)	Inhibition of N-terminal GST-tagged full-length human Mps1 expressed in insect cells using FITC-DHTGFLTEYVATR-CONH2 as substrate after 25 mins by fluorescence assay
50007773	1	ChEMBL_1849191 (CHEMBL4349732)	Inhibition of human GST-tagged TRKA (436 to 790) expressed in baculovirus expression system using TK-biotin peptide as substrate incubated for 45 min by TR-FRET assay
50007773	2	ChEMBL_1849192 (CHEMBL4349733)	Antagonist activity at prolink-tagged full length human TrkA expressed in U2OS cells assessed as inhibition of NGF-induced receptor phosphorylation by measuring reduction in EA-tagged SH2 protein recruitment preincubated for 30 mins followed by NGF addition and measured by chemiluminescence method
50007773	3	ChEMBL_1849205 (CHEMBL4349746)	Inhibition of human GST-tagged TRKB (456 to 822) expressed in baculovirus expression system using TK-biotin peptide as substrate incubated for 45 min by TR-FRET assay
50007774	1	ChEMBL_1849286 (CHEMBL4349827)	Inhibition of PDE7B (unknown origin)
50007774	2	ChEMBL_1849275 (CHEMBL4349816)	Inhibition of PDE3A (unknown origin)
50007774	3	ChEMBL_1849274 (CHEMBL4349815)	Inhibition of PDE10A (unknown origin)
50007774	4	ChEMBL_1849279 (CHEMBL4349820)	Inhibition of human N-terminal FLAG-tagged PDE10A (1 to 90 residues) expressed in using African green monkey COS7 cells using [3H]cAMP or [3H]cGMP as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50007774	5	ChEMBL_1849282 (CHEMBL4349823)	Inhibition of PDE2A (unknown origin)
50007774	6	ChEMBL_1849283 (CHEMBL4349824)	Inhibition of PDE4 (unknown origin)
50007774	7	ChEMBL_1849287 (CHEMBL4349828)	Inhibition of PDE8A (unknown origin)
50007774	8	ChEMBL_1849288 (CHEMBL4349829)	Inhibition of PDE9A (unknown origin)
50007774	9	ChEMBL_1849284 (CHEMBL4349825)	Inhibition of PDE5A (unknown origin)
50007774	10	ChEMBL_1849289 (CHEMBL4349830)	Inhibition of PDE11A (unknown origin)
50007774	11	ChEMBL_1849285 (CHEMBL4349826)	Inhibition of PDE6 (unknown origin)
50007775	1	ChEMBL_1849336 (CHEMBL4349877)	Inhibition of African green monkey SOAT2 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method
50007775	2	ChEMBL_1849335 (CHEMBL4349876)	Inhibition of African green monkey SOAT1 expressed in CHO cells using [1-14C]oleic acid incubated for 6 hrs by TLC based method
50007775	3	ChEMBL_1849337 (CHEMBL4349878)	Inhibition of SOAT1 in CHO cell microsomal fraction using [1-14C]oleoyl-CoA as substrate measured after 5 mins by TLC based method
50007776	1	ChEMBL_1849362 (CHEMBL4349903)	Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method
50007776	2	ChEMBL_1849363 (CHEMBL4349904)	Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method
50007776	3	ChEMBL_1849360 (CHEMBL4349901)	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method
50007776	4	ChEMBL_1849369 (CHEMBL4349910)	Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method
50007776	5	ChEMBL_1849370 (CHEMBL4349911)	Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method
50007777	1	ChEMBL_1849382 (CHEMBL4349923)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition measured after 40 mins by LC-MS/MS analysis
50007777	2	ChEMBL_1849384 (CHEMBL4349925)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50007777	3	ChEMBL_1849380 (CHEMBL4349921)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50007777	4	ChEMBL_1849381 (CHEMBL4349922)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50007777	5	ChEMBL_1849371 (CHEMBL4349912)	Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by TR-FRET assay
50007777	6	ChEMBL_1849372 (CHEMBL4349913)	Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo luciferase assay
50007777	7	ChEMBL_1849395 (CHEMBL4349936)	Inverse agonist activity at RORgammat in mouse splenocytes derived naive T cells assessed as suppression of T cell differentiation to Th17 cells by measuring IL-17 secretion in presence of anti-CD4/anti-IFNgamma/TGFbeta/IL-6 for 6 days by ELISA
50007777	8	ChEMBL_1849385 (CHEMBL4349926)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50007777	9	ChEMBL_1849467 (CHEMBL4350008)	Inhibition of GAL4-DBD fused RORalpha LBD (unknown origin) expressed in HEK293T cells
50007777	10	ChEMBL_1849487 (CHEMBL4350028)	Time-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH measured after 30 mins by LC-MS/MS analysis
50007777	11	ChEMBL_1849383 (CHEMBL4349924)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50007777	12	ChEMBL_1849390 (CHEMBL4349931)	Transrepression of RORgammat in Balb/c mouse splenocytes assessed as reduction in anti-CD3/anti-CD28 stimulated IL-17 level measured after 48 hrs in presence of anti-CD3/anti-CD28 by ELISA
50007778	1	ChEMBL_1849515 (CHEMBL4350056)	Inhibition of mouse PDS stably expressed in FRT cells coexpressing EYFP-H148Q/I152L/F46L assessed as reduction in I-/Cl- exchange incubated for 10 mins by fluorescence based assay
50007778	2	ChEMBL_1849514 (CHEMBL4350055)	Inhibition of human PDS stably expressed in FRT cells coexpressing EYFP-H148Q/I152L/F46L assessed as reduction in I-/Cl- exchange incubated for 10 mins by fluorescence based assay
50007780	1	ChEMBL_1849527 (CHEMBL4350068)	Inhibition of recombinant HIV1 integrase strand transfer activity using biotin-labeled double-stranded HIV1 LTR U5 donor DNA substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins by ELISA
50007780	2	ChEMBL_1849528 (CHEMBL4350069)	Inhibition of HIV1 Reverse transcriptase polymerase assessed as decrease in digoxigenin and biotin-dUTP incorporation into DNA using poly(A)/oligo(dT)15 as template/primer by ELISA
50007780	3	ChEMBL_1849529 (CHEMBL4350070)	Inhibition of HIV1 reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate measured after 1 hr by FRET based assay
50007780	4	ChEMBL_1849531 (CHEMBL4350072)	Inhibition of Murine leukemia virus reverse transcriptase RNase H using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate measured after 1 hr by FRET based assay
50007780	5	ChEMBL_1849538 (CHEMBL4350079)	Binding affinity to recombinant wild-type full length HIV1 reverse transcriptase p66/p51 expressed in Escherichia coli by biolayer interferometry
50007782	1	ChEMBL_1849549 (CHEMBL4350090)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 6 mins by Ellman's method
50007782	2	ChEMBL_1849550 (CHEMBL4350091)	Inhibition of human plasma BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured at 6 mins by Ellman's method
50007782	3	ChEMBL_1849546 (CHEMBL4350087)	Competitive inhibition of human erythrocyte AChE at 10 nM to 10 uM using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured up to 6 mins by Lineweaver-Burk plot analysis
50007784	1	ChEMBL_1849583 (CHEMBL4350124)	Transactivation of VDR in human Macrophage-like cell assessed as cell differentiation measured after 4 days by NBT dye-based assay
50007785	1	ChEMBL_1849617 (CHEMBL4350158)	Inhibition of human OAT1 expressed in HEK293 cells assessed as P-amino hippuric acid uptake inhibition incubated for 10 mins by UPLC-MS/MS method
50007786	1	ChEMBL_1849646 (CHEMBL4350187)	Negative allosteric modulation of PAR1 in human EAhy926 cells assessed as reduction in TFLLRN-NH2-induced intracellular calcium mobilization incubated for 15 mins followed by TFLLRN-NH2 addition by Fluo-4-AM dye based fluorescence assay
50007787	1	ChEMBL_1849667 (CHEMBL4350208)	Allosteric inhibition of human KGA assessed as reduction in glutamate formation using glutamine as substrate pretreated with enzyme for 15 mins followed by substrate addition and measured after 3 hrs by KGA/GDH coupled assay
50007787	2	ChEMBL_1849668 (CHEMBL4350209)	Binding affinity to human KGA assessed as dissociation constant
50007789	1	ChEMBL_1849682 (CHEMBL4350223)	Inhibition of biotinylated human VEGF-A165 binding to recombinant human NRP1 receptor after 2 hrs by chemiluminescence analysis relative to control
50007790	1	ChEMBL_1849691 (CHEMBL4350232)	Inhibition of PHGDH (unknown origin) using 140 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase and resazurin dye based fluorescence assay
50007790	2	ChEMBL_1849693 (CHEMBL4350234)	Inhibition of PHGDH (unknown origin) using 11 nM of PHGDH and 3-PG as substrate incubated for 20 mins in presence of NAD+, PSAT1, PSPH by diaphorase and resazurin dye based fluorescence assay
50007790	3	ChEMBL_1849701 (CHEMBL4350242)	Inhibition of recombinant human IDH1 expressed in Escherichia coli using isocitrate as substrate incubated for 30 mins followed by substrate addition
50007790	4	ChEMBL_1849703 (CHEMBL4350244)	Mixed type inhibition of PHGDH (unknown origin) using 3-PG as substrate incubated for 20 mins in presence of , PSAT1, PSPH and varying NAD+ by diaphorase and resazurin dye based fluorescence assay
50007790	5	ChEMBL_1849690 (CHEMBL4350231)	Inhibition of PHGDH (unknown origin)
50007790	6	ChEMBL_1849692 (CHEMBL4350233)	Inhibition of PHGDH (unknown origin) by surface plasmon resonance method
50007790	7	ChEMBL_1849700 (CHEMBL4350241)	Inhibition of recombinant human LDHA expressed in Escherichia coli using lactate as substrate incubated for 30 mins followed by substrate addition
50007790	8	ChEMBL_1849702 (CHEMBL4350243)	Inhibition of recombinant human MDH1 expressed in Escherichia coli using malate as substrate incubated for 30 mins followed by substrate addition
50007791	1	ChEMBL_1849721 (CHEMBL4350262)	Inhibition of Trypanosoma brucei PDEB1 catalytic domain (565 to 918 residues) expressed in Escherichia coli BL21 incubated for 20 mins using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50007791	2	ChEMBL_1849722 (CHEMBL4350263)	Inhibition of human PDE4B catalytic domain incubated for 20 mins using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50007792	1	ChEMBL_1849742 (CHEMBL4350283)	Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conversion of SAH to AMP using histone H3 as substrate and SAH as cosubstrate incubated for 30 mins by AMP Glo detection assay
50007792	2	ChEMBL_1849743 (CHEMBL4350284)	Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conversion of SAH to AMP using histone H3 as substrate and SAH as cosubstrate incubated for 30 mins by AMP Glo detection assay
50007793	1	ChEMBL_1849749 (CHEMBL4350290)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 15 mins followed by substrate addition and measured after 60 mins by Ellman's method
50007795	1	ChEMBL_1849772 (CHEMBL4350313)	Activation of C-terminal His tagged human recombinant full length AMPK alpha1/beta1/gamma1 expressed in baculovirus infected Sf9 cells using SAMS peptide as substrate incubated for 60 mins by ADP-Glo luminescence assay
50007795	2	ChEMBL_1849766 (CHEMBL4350307)	Activation of recombinant mouse AMPK expressed in Sf9 cells using SAMS peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50007795	3	ChEMBL_1849764 (CHEMBL4350305)	Activation of human AMPK alpha1/beta1/gamma1 expressed in baculovirus/Sf9 cells using SAMS peptide as substrate incubated for 15 mins by in presence of 33P-ATP by liquid scintillation counting method
50007796	1	ChEMBL_1849788 (CHEMBL4350329)	Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux
50007796	2	ChEMBL_1849786 (CHEMBL4350327)	Negative allosteric modulation of rat mGlu3R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobilization preincubated for 2.5 mins followed by glutamate addition by S3 Fluo-4-AM dye based fluorescence assay
50007796	3	ChEMBL_1849787 (CHEMBL4350328)	Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincubated for 5 mins followed by glutamate addition and measured after 2 mins by BTC-AM-dye based fluorescence assay
50007797	1	ChEMBL_1849809 (CHEMBL4350350)	Inhibition of human recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate preincubated for 20 mins followed by substrate addition and incubated for 60 sec by TR-FRET assay
50007797	2	ChEMBL_1849815 (CHEMBL4350356)	Inhibition of mouse recombinant FLAG-tagged PTGES expressed in baculovirus infected Hi-5 insect cells using prostaglandin H2 as substrate incubated for 20 mins followed by substrate addition and incubated for 60 sec by TR-FRET assay
50007797	3	ChEMBL_1849808 (CHEMBL4350349)	Inhibition of human PTGES
50007798	1	ChEMBL_1849890 (CHEMBL4350431)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate at concentration of 10XKm in presence of ATP by ADP-Glo assay
50007798	2	ChEMBL_1849888 (CHEMBL4350429)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate at concentration of Km/10 in presence of ATP by ADP-Glo assay
50007798	3	ChEMBL_1849833 (CHEMBL4350374)	Inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E-derived peptide as substrate in presence of ATP at Km concentration by ADP-Glo assay
50007798	4	ChEMBL_1849896 (CHEMBL4350437)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate at concentration of 10XKm in presence of ATP by ADP-Glo assay
50007798	5	ChEMBL_1849893 (CHEMBL4350434)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at concentration of 10XKm by ADP-Glo assay
50007798	6	ChEMBL_1849892 (CHEMBL4350433)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at Km concentration by ADP-Glo assay
50007798	7	ChEMBL_1849891 (CHEMBL4350432)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at concentration of Km/5 by ADP-Glo assay
50007798	8	ChEMBL_1849886 (CHEMBL4350427)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at Km concentration by ADP-Glo assay
50007798	9	ChEMBL_1849887 (CHEMBL4350428)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at concentration of 10XKm by ADP-Glo assay
50007798	10	ChEMBL_1849889 (CHEMBL4350430)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate at Km concentration in presence of ATP by ADP-Glo assay
50007798	11	ChEMBL_1849895 (CHEMBL4350436)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate at Km concentration in presence of ATP by ADP-Glo assay
50007798	12	ChEMBL_1849834 (CHEMBL4350375)	Inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E-derived peptide as substrate in presence of ATP at km concentration by ADP-Glo assay
50007798	13	ChEMBL_1849894 (CHEMBL4350435)	Competitive inhibition of recombinant His-tagged MNK2 (unknown origin) using eIF4E derived peptide as substrate at concentration of Km/10 in presence of ATP by ADP-Glo assay
50007798	14	ChEMBL_1849885 (CHEMBL4350426)	Competitive inhibition of recombinant GST-tagged MNK1 (unknown origin) using eIF4E derived peptide as substrate in presence of ATP at concentration of Km/5 by ADP-Glo assay
50007802	1	ChEMBL_1849934 (CHEMBL4350475)	Inhibition of bovine brain tubulin polymerization measured every 1 min for 60 mins by turbidimetry based microplate reader analysis
50007803	1	ChEMBL_1850289 (CHEMBL4350830)	Binding affinity to hemagglutinin by SPR assay
50007805	1	ChEMBL_1850306 (CHEMBL4350847)	Inhibition of human PDE4B catalytic domain using cAMP as substrate incubated for 20 mins by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50007805	2	ChEMBL_1850303 (CHEMBL4350844)	Inhibition of Trypanosoma brucei PDEB1 catalytic domain using cAMP as substrate incubated for 20 mins by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50007805	3	ChEMBL_1850307 (CHEMBL4350848)	Binding affinity to Trypanosoma brucei PDEB1 assessed as dissociation constant treated for 60 secs measured for 300 secs by SPR assay
50007805	4	ChEMBL_1850310 (CHEMBL4350851)	Binding affinity to human PDE4D assessed as dissociation constant treated for 320 secs measured for 900 secs by SPR assay
50007805	5	ChEMBL_1850308 (CHEMBL4350849)	Binding affinity to human PDE4D assessed as dissociation constant treated for 60 secs measured for 300 secs by SPR assay
50007805	6	ChEMBL_1850309 (CHEMBL4350850)	Binding affinity to Trypanosoma brucei PDEB1 assessed as dissociation constant treated for 320 secs measured for 900 secs by SPR assay
50007806	1	ChEMBL_1850315 (CHEMBL4350856)	Mixed inhibition of equine serum BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis
50007806	2	ChEMBL_1850316 (CHEMBL4350857)	Inhibition of equine serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins under dark condition by Ellman's method
50007806	3	ChEMBL_1850314 (CHEMBL4350855)	Uncompetitive inhibition of electric eel BChE using varying levels of butyrylcholine chloride as substrate by Lineweaver-Burk plot analysis
50007806	4	ChEMBL_1850317 (CHEMBL4350858)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins under dark condition by Ellman's method
50007808	1	ChEMBL_1850349 (CHEMBL4350890)	Inhibition of SDH-A (unknown origin) by ELISA
50007808	2	ChEMBL_1850348 (CHEMBL4350889)	Inhibition of COX1 (unknown origin) by ELISA
50007810	1	ChEMBL_1850360 (CHEMBL4350901)	Inhibition of CYP2D6 (unknown origin)
50007810	2	ChEMBL_1850351 (CHEMBL4350892)	Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D3 receptor expressed in HEK293 cells measured after 60 mins by gamma counting analysis
50007810	3	ChEMBL_1850352 (CHEMBL4350893)	Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from human dopamine D2L receptor expressed in HEK293 cells measured after 60 mins by gamma counting analysis
50007810	4	ChEMBL_1850356 (CHEMBL4350897)	Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from dopamine D1 receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by gamma counting analysis
50007810	5	ChEMBL_1850358 (CHEMBL4350899)	Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from dopamine D5 receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by gamma counting analysis
50007810	6	ChEMBL_1850361 (CHEMBL4350902)	Inhibition of CYP3A4 (unknown origin)
50007810	7	ChEMBL_1850357 (CHEMBL4350898)	Displacement of 2,3-dimethoxy-5-[125I]-iodo-N-[9-benzyl-9-azabicyclo[3.3.1]nonan-3beta-yl]benzamide from dopamine human D4 receptor expressed in HEK293 cells measured after 60 mins by gamma counting analysis
50007810	8	ChEMBL_1850359 (CHEMBL4350900)	Inhibition of CYP2C9 (unknown origin)
50007811	1	ChEMBL_1850369 (CHEMBL4350910)	Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 hr by ADP-Glo assay
50007812	1	ChEMBL_1850426 (CHEMBL4351050)	Binding affinity to recombinant human CDK2/CyclinA by SPR assay
50007812	2	ChEMBL_1850433 (CHEMBL4351057)	Inhibition of FGFR4 (unknown origin)
50007812	3	ChEMBL_1850418 (CHEMBL4351042)	Inhibition of JAK2 (unknown origin)
50007812	4	ChEMBL_1850412 (CHEMBL4351036)	Inhibition of ErbB2 (unknown origin)
50007812	5	ChEMBL_1850413 (CHEMBL4351037)	Inhibition of ErbB4 (unknown origin)
50007812	6	ChEMBL_1850417 (CHEMBL4351041)	Inhibition of JAK1 (unknown origin)
50007812	7	ChEMBL_1850419 (CHEMBL4351043)	Inhibition of JAK3 (unknown origin)
50007812	8	ChEMBL_1850420 (CHEMBL4351044)	Inhibition of TYK2 (unknown origin)
50007812	9	ChEMBL_1850427 (CHEMBL4351051)	Inhibition of PI3Kdelta (unknown origin)
50007812	10	ChEMBL_1850415 (CHEMBL4351039)	Inhibition of recombinant human FKBP12 after 24 hrs by MS/MS analysis
50007812	11	ChEMBL_1850446 (CHEMBL4351070)	Inhibition of ALK (unknown origin) by TR-FRET assay
50007812	12	ChEMBL_1850447 (CHEMBL4351071)	Inhibition of SRPK1 (unknown origin) by TR-FRET assay
50007812	13	ChEMBL_1850438 (CHEMBL4351062)	Binding affinity to MCl-1 (unknown origin) assessed as binding affinity constant for state one
50007812	14	ChEMBL_1850440 (CHEMBL4351064)	Binding affinity to MCl-1 (unknown origin) assessed as binding affinity constant for state two
50007812	15	ChEMBL_1850437 (CHEMBL4351061)	Inhibition of DcpS (unknown origin) using m7GpppA as substrate by ELISA
50007812	16	ChEMBL_1850435 (CHEMBL4351059)	Inhibition of C-terminal His-tagged human MetAP2 expressed in Escherichia coli BL21(DE3) cells
50007812	17	ChEMBL_1850434 (CHEMBL4351058)	Inhibition of FGFR4 in mouse BAF3 cells
50007812	18	ChEMBL_1850411 (CHEMBL4351035)	Inhibition of EGFR (unknown origin)
50007812	19	ChEMBL_1850414 (CHEMBL4351038)	Inhibition of MGMT (unknown origin)
50007812	20	ChEMBL_1850422 (CHEMBL4351046)	Inhibition of BTK (unknown origin)
50007812	21	ChEMBL_1850423 (CHEMBL4351047)	Inhibition of PLK1 (unknown origin)
50007813	1	ChEMBL_1850453 (CHEMBL4351077)	Inhibition of PI3Kdelta (unknown origin)
50007813	2	ChEMBL_1850473 (CHEMBL4351097)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate after 60 mins by HTRF assay
50007813	3	ChEMBL_1850485 (CHEMBL4351109)	Inhibition of GST-tagged PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 2 hrs followed by ATP addition measured after 30 mins by TR-FRET assay
50007813	4	ChEMBL_1850498 (CHEMBL4351122)	Inhibition of GST-tagged PI3Kgamma in human U937 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50007813	5	ChEMBL_1850454 (CHEMBL4351078)	Inhibition of PI3Kgamma (unknown origin)
50007813	6	ChEMBL_1850457 (CHEMBL4351081)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells after 80 mins by fluorescence polarization assay
50007813	7	ChEMBL_1850465 (CHEMBL4351089)	Inhibition of PI3Kdelta in human Pfeiffer cells
50007813	8	ChEMBL_1850470 (CHEMBL4351094)	Inhibition of PI3Kdelta (unknown origin) preincubated for 30 mins followed by insulin stimulation for 5 mins by Western blot analysis
50007813	9	ChEMBL_1850448 (CHEMBL4351072)	Inhibition of PI3Kdelta in basophil derived from B-cell malignant patient
50007813	10	ChEMBL_1850449 (CHEMBL4351073)	Inhibition of PI3Kgamma in basophil derived from B-cell malignant patient
50007813	11	ChEMBL_1850458 (CHEMBL4351082)	Inhibition of recombinant N-terminal His-tagged full length human PI3Kgamma expressed in baculovirus expression system after 80 mins by fluorescence polarization assay
50007813	12	ChEMBL_1850461 (CHEMBL4351085)	Inhibition of PI3Kdelta in human SU-DHL6 cells
50007813	13	ChEMBL_1850467 (CHEMBL4351091)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells after 20 mins by alphascreen assay
50007813	14	ChEMBL_1850472 (CHEMBL4351096)	Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate in presence of [33P]ATP by by scintillation proximity assay
50007813	15	ChEMBL_1850477 (CHEMBL4351101)	Inhibition of Vps34 (unknown origin)
50007813	16	ChEMBL_1850481 (CHEMBL4351105)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50007813	17	ChEMBL_1850487 (CHEMBL4351111)	Inhibition of PI3Kdelta in human Neutrophil cells
50007813	18	ChEMBL_1850497 (CHEMBL4351121)	Inhibition of GST-tagged PI3Kdelta in human U937 cells using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50007813	19	ChEMBL_1850502 (CHEMBL4351126)	Inhibition of PI3Kdelta in human SUDHL6 cells
50007813	20	ChEMBL_1850463 (CHEMBL4351087)	Inhibition of PI3Kdelta in human B-cells
50007813	21	ChEMBL_1850492 (CHEMBL4351116)	Inhibition of PI3Kdelta in human Raji cells
50007813	22	ChEMBL_1850503 (CHEMBL4351127)	Inhibition of PI3Kgamma in human SUDHL6 cells
50007813	23	ChEMBL_1850482 (CHEMBL4351106)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50007813	24	ChEMBL_1850493 (CHEMBL4351117)	Inhibition of PI3Kgamma in human Raji cells
50007813	25	ChEMBL_1850488 (CHEMBL4351112)	Inhibition of PI3Kgamma in human Neutrophil cells
50007813	26	ChEMBL_1850469 (CHEMBL4351093)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells after 60 mins by ADP-Glo assay
50007813	27	ChEMBL_1850478 (CHEMBL4351102)	Inhibition of DNAPK (unknown origin)
50007815	1	ChEMBL_1850529 (CHEMBL4351153)	Binding affinity to XIAP-BIR3 domain (241 to 356 residues) (unknown origin) by fluorescence polarization-based competition assay
50007815	2	ChEMBL_1850537 (CHEMBL4351161)	Binding affinity to cIAP1-BIR3 domain (unknown origin)
50007815	3	ChEMBL_1850538 (CHEMBL4351162)	Binding affinity to cIAP2-BIR3 domain (unknown origin)
50007815	4	ChEMBL_1850528 (CHEMBL4351152)	Binding affinity to XIAP-BIR3 domain (unknown origin)
50007815	5	ChEMBL_1850532 (CHEMBL4351156)	Binding affinity to XIAP-BIR2 domain (unknown origin)
50007815	6	ChEMBL_1850540 (CHEMBL4351164)	Induction of cIAP1 (unknown origin) degradation
50007815	7	ChEMBL_1850536 (CHEMBL4351160)	Binding affinity to XIAP-BIR2 domain (unknown origin) by fluorescence polarization-based competition assay
50007815	8	ChEMBL_1850539 (CHEMBL4351163)	Binding affinity to ML-IAP-BIR domain (unknown origin)
50007815	9	ChEMBL_1850535 (CHEMBL4351159)	Inhibition of of XIAP-BIR2/BIR3 domain (unknown origin)
50007815	10	ChEMBL_1850530 (CHEMBL4351154)	Inhibition of N-terminal CARD domain of caspase 9 (unknown origin)
50007815	11	ChEMBL_1850527 (CHEMBL4351151)	Binding affinity to XIAP-BIR2/BIR3 domain (unknown origin)
50007816	1	ChEMBL_1850563 (CHEMBL4351187)	Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation pre-incubated for 20 mins followed by pheophorbide A addition and measured after 120 mins by flow cytometric analysis
50007816	2	ChEMBL_1850561 (CHEMBL4351185)	Inhibition of ABCB1 in human A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs time interval by fluorescence assay
50007816	3	ChEMBL_1850543 (CHEMBL4351167)	Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time interval by fluorescence assay
50007816	4	ChEMBL_1850541 (CHEMBL4351165)	Inhibition of MRP1 in human COR-L23/R cells assessed reduction in tritiated daunomycin efflux incubated for 2 hrs by radioactivity-based assay
50007816	5	ChEMBL_1850596 (CHEMBL4351220)	Reversal of ABCG2-mediated multidrug resistance in human MCF-7/MX cells assessed as potentiation of daunorubicin-induced cytotoxicity incubated for 72 hrs by MTT assay
50007816	6	ChEMBL_1850595 (CHEMBL4351219)	Reversal of ABCB1 (unknown origin)-mediated multidrug resistance in MDCK2 cells co-expressing MDR1 (unknown origin) assessed as potentiation of daunorubicin-induced cytotoxicity incubated for 72 hrs by MTT assay
50007816	7	ChEMBL_1850559 (CHEMBL4351183)	Reversal of ABCC1 (unknown origin)-mediated multidrug resistance in MDCK2 cells co-expressing MRP1 (unknown origin) assessed as potentiation of daunorubicin-induced cytotoxicity incubated for 72 hrs by MTT assay
50007816	8	ChEMBL_1850558 (CHEMBL4351182)	Reversal of ABCC1-mediated multidrug resistance in human H69AR cells assessed as potentiation of daunorubicin-induced cytotoxicity incubated for 72 hrs by MTT assay
50007816	9	ChEMBL_1850582 (CHEMBL4351206)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in MDCK2 cells co-expressing BCRP (unknown origin) assessed as potentiation of SN-38-induced cytotoxicity incubated for 72 hrs by MTT assay
50007816	10	ChEMBL_1850594 (CHEMBL4351218)	Reversal of ABCB1-mediated multidrug resistance in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity incubated for 72 hrs by MTT assay
50007817	1	ChEMBL_1850630 (CHEMBL4351254)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli assessed as maximum reduction in metabolite formation using coumarin based substrate by fluorescence assay
50007817	2	ChEMBL_1850625 (CHEMBL4351249)	Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method
50007817	3	ChEMBL_1850627 (CHEMBL4351251)	Inhibition of FLAP in human whole blood assessed as reduction in calcium ionophore-stimulated LTB4 production preincubated for 30 mins followed by calcium ionophore stimulation and measured after 20 mins by EIA
50007817	4	ChEMBL_1850631 (CHEMBL4351255)	Inhibition of recombinant human CYP2C9 expressed in Escherichia coli assessed as maximum reduction in metabolite formation using coumarin based substrate by fluorescence assay
50007817	5	ChEMBL_1850628 (CHEMBL4351252)	Inhibition of FLAP in human whole blood assessed as reduction in calcium ionophore-stimulated LTB4 production preincubated for 4 hrs followed by calcium ionophore stimulation and measured after 20 mins by EIA
50007817	6	ChEMBL_1850632 (CHEMBL4351256)	Inhibition of recombinant human CYP1A2 assessed as maximum reduction in metabolite formation using coumarin based substrate by fluorescence assay
50007817	7	ChEMBL_1850639 (CHEMBL4351263)	Inhibition of human ERG by high-throughput electrophysiology assay
50007817	8	ChEMBL_1850621 (CHEMBL4351245)	Inhibition of recombinant human BSEP expressed in baculovirus infected Sf21 insect cell vesicles assessed as reduction in NBD-taurocholate uptake by fluorescence assay
50007817	9	ChEMBL_1850613 (CHEMBL4351237)	Inhibition of CYP450 assessed as maximum reduction in metabolite formation using coumarin based substrate by fluorescence assay
50007819	1	ChEMBL_1850690 (CHEMBL4351314)	Agonist activity at GluA3 receptor (unknown origin) expressed in HEK293 cells assessed induction of S-glutamate-induced calcium flux measured after 90 secs in presence of cyclothiazide by Fluo4-AM dye-based fluorescence assay
50007819	2	ChEMBL_1850701 (CHEMBL4351325)	Displacement of (RS)-[3H]AMPA from recombinant rat GluA1 expressed in baculovirus infected Sf9 insect cell membranes
50007819	3	ChEMBL_1850702 (CHEMBL4351326)	Displacement of (RS)-[3H]AMPA from recombinant rat GluA2(R) expressed in baculovirus infected Sf9 insect cell membranes
50007819	4	ChEMBL_1850703 (CHEMBL4351327)	Displacement of (RS)-[3H]AMPA from recombinant rat GluA3 expressed in baculovirus infected Sf9 insect cell membranes
50007819	5	ChEMBL_1850691 (CHEMBL4351315)	Agonist activity at GluA4 receptor (unknown origin) expressed in HEK293 cells assessed induction of S-glutamate-induced calcium flux measured after 90 secs in presence of cyclothiazide by Fluo4-AM dye-based fluorescence assay
50007819	6	ChEMBL_1850704 (CHEMBL4351328)	Displacement of (RS)-[3H]AMPA from recombinant rat GluA4 expressed in baculovirus infected Sf9 insect cell membranes
50007819	7	ChEMBL_1850714 (CHEMBL4351338)	Agonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oocytes at -40 mV holding potential in presence of glutamate by two-electrode voltage clamp electrophysiology method
50007819	8	ChEMBL_1850689 (CHEMBL4351313)	Agonist activity at GluA2(Q) receptor (unknown origin) expressed in HEK293 cells assessed induction of S-glutamate-induced calcium flux measured after 90 secs in presence of cyclothiazide by Fluo4-AM dye-based fluorescence assay
50007819	9	ChEMBL_1850688 (CHEMBL4351312)	Agonist activity at GluA1 receptor (unknown origin) expressed in HEK293 cells assessed induction of S-glutamate-induced calcium flux measured after 90 secs in presence of cyclothiazide by Fluo4-AM dye-based fluorescence assay
50007819	10	ChEMBL_1850705 (CHEMBL4351329)	Displacement of (RS)-[3H]AMPA from recombinant rat GluA2-ABD expressed in baculovirus infected Sf9 insect cell membranes
50007819	11	ChEMBL_1850722 (CHEMBL4351346)	Agonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oocytes at -40 mV holding potential in presence of glycine by two-electrode voltage clamp electrophysiology method
50007819	12	ChEMBL_1850713 (CHEMBL4351337)	Agonist activity at recombinant rat GluN1a/GluN2C expressed in Xenopus laevis oocytes at -40 mV holding potential in presence of glutamate by two-electrode voltage clamp electrophysiology method
50007819	13	ChEMBL_1850720 (CHEMBL4351344)	Agonist activity at recombinant rat GluN1a/GluN2B expressed in Xenopus laevis oocytes at -40 mV holding potential in presence of glycine by two-electrode voltage clamp electrophysiology method
50007819	14	ChEMBL_1850706 (CHEMBL4351330)	Agonist activity at rat GluA2(Q) receptor expressed in Xenopus laevis oocytes assessed as induction of (S)-glutamate-induced channel current at -60 mV holding potential in presence of cyclothiazide by two-electrode voltage-clamp electrophysiology method
50007820	1	ChEMBL_1850952 (CHEMBL4351576)	Inhibition of recombinant human ABL using Ulight-TK peptide as substrate measured after 30 mins by LANCE assay
50007820	2	ChEMBL_1850925 (CHEMBL4351549)	Inhibition of CYP3A4 (unknown origin)
50007820	3	ChEMBL_1850878 (CHEMBL4351502)	Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50007820	4	ChEMBL_1850919 (CHEMBL4351543)	Inhibition of CYP1A2 (unknown origin)
50007820	5	ChEMBL_1850887 (CHEMBL4351511)	Displacement of [3H]-flumazenil from human GABAA alpha5beta2gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50007820	6	ChEMBL_1850920 (CHEMBL4351544)	Inhibition of CYP2B6 (unknown origin)
50007820	7	ChEMBL_1850922 (CHEMBL4351546)	Inhibition of CYP2C9 (unknown origin)
50007820	8	ChEMBL_1850923 (CHEMBL4351547)	Inhibition of CYP2C19 (unknown origin)
50007820	9	ChEMBL_1850924 (CHEMBL4351548)	Inhibition of CYP2D6 (unknown origin)
50007820	10	ChEMBL_1850951 (CHEMBL4351575)	Displacement of [125I]NKA from recombinant human NK2 measured after 60 mins by scintillation counting method
50007820	11	ChEMBL_1850954 (CHEMBL4351578)	Inhibition of human ERG by electrophysiology method
50007820	12	ChEMBL_1850955 (CHEMBL4351579)	Inhibition of Nav1.5 (unknown origin)
50007820	13	ChEMBL_1850953 (CHEMBL4351577)	Inhibition of recombinant human PDE4D2 using [3H]cAMP as substrate measured after 20 mins by scintillation counting analysis
50007820	14	ChEMBL_1850883 (CHEMBL4351507)	Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50007820	15	ChEMBL_1850921 (CHEMBL4351545)	Inhibition of CYP2C8 (unknown origin)
50007821	1	ChEMBL_1850962 (CHEMBL4351586)	Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by bocillin-FL addition by RT-fluorescence anisotropy method
50007822	1	ChEMBL_1850991 (CHEMBL4351615)	Inhibition of FITC-labeled Tat peptide binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) after 6 hrs by fluorescence polarization assay
50007822	2	ChEMBL_1850996 (CHEMBL4351620)	Inhibition of biotinylated peptide binding to human GST-tagged PCAF bromodomain expressed in Escherichia coli Rosetta (DE3) measured after 15 hrs by HTRF assay
50007822	3	ChEMBL_1850994 (CHEMBL4351618)	Binding affinity to human N-terminal His-tagged PCAF by isothermal titration calorimetry
50007822	4	ChEMBL_1850992 (CHEMBL4351616)	Inhibition of biotinylated ligand binding to FLAG epitope-fused/His-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) measured after 15 mins by alphalisa assay
50007822	5	ChEMBL_1850999 (CHEMBL4351623)	Binding affinity to human N-terminal His-tagged GCN5 by isothermal titration calorimetry
50007822	6	ChEMBL_1851000 (CHEMBL4351624)	Binding affinity to human N-terminal His-tagged FALZ by isothermal titration calorimetry
50007822	7	ChEMBL_1851042 (CHEMBL4351666)	Inhibition of Halo-tagged histone H3.3 binding to N-terminal Nano luciferase-fused full-length PCAF (unknown origin) expressed in HEK293T cells co-expressing C-terminal Halo-tagged histone H3.3 measured after 18 hrs by 618 fluorescent ligand-based BRET assay
50007822	8	ChEMBL_1850990 (CHEMBL4351614)	Binding affinity to human PCAF bromodomain by isothermal titration calorimetry
50007822	9	ChEMBL_1850993 (CHEMBL4351617)	Inhibition of biotinylated Tat-AcK50 binding to GST-fused PCAF bromodomain (719 to 832 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) measured after overnight incubation by ELISA
50007823	1	ChEMBL_1851578 (CHEMBL4352202)	Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNF/zVAD.fmk-induced necrotic death measured after 24 hrs by cell titer-glo luminescent cell viability assay
50007823	2	ChEMBL_1851532 (CHEMBL4352156)	Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation measured after 4 hrs in presence of ATP by ADP-Glo luminescence assay
50007823	3	ChEMBL_1851533 (CHEMBL4352157)	Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminescent cell viability assay
50007823	4	ChEMBL_1851531 (CHEMBL4352155)	Inhibition of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2''3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido-[1,2-a]indol-5-ium-2-sulfonate binding to human GST/His-tagged RIP1 (1 to 375) expressed in baculovirus expression system preincubated for 10 mins followed by fluorescently labeled ATP-competitive ligand addition and measured after 20 mins by fluorescence polarization assay
50007823	5	ChEMBL_1851536 (CHEMBL4352160)	Inhibition of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2''3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido-[1,2-a]indol-5-ium-2-sulfonate binding to mouse RIP1 (1 to 378) expressed in baculovirus expression system preincubated for 10 mins followed by fluorescently labeled ATP-competitive ligand addition and measured after 20 mins by fluorescence polarization assay
50007823	6	ChEMBL_1851616 (CHEMBL4352240)	Inhibition of RIP1 in human whole blood assessed as reduction in TNFalpha/zVAD-fmk/SMAC-induced MIP1alpha production measured after 6 hrs by ELISA
50007825	1	ChEMBL_1852014 (CHEMBL4352638)	Inhibition of recombinant human full-length His-tagged PI3K p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 80 mins by transcreener fluorescence polarization assay
50007825	2	ChEMBL_1852015 (CHEMBL4352639)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 80 mins by transcreener fluorescence polarization assay
50007825	3	ChEMBL_1852013 (CHEMBL4352637)	Inhibition of N-terminal His6-tagged recombinant full length human p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 80 mins by transcreener fluorescence polarization assay
50007825	4	ChEMBL_1852022 (CHEMBL4352646)	Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in antihuman IgM-stimulated AKT phosphorylation at Ser473 residue preincubated for 60 mins followed by antihuman IgM stimulation and measured after 15 mins
50007825	5	ChEMBL_1852031 (CHEMBL4352655)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in fMLP-stimulated CD63 expression in basophils preincubated for 30 mins followed by fMLP stimulation
50007825	6	ChEMBL_1852027 (CHEMBL4352651)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression on B-cells preincubated for 60 mins followed by anti-IgM stimulation and measured after overnight incubation by flow cytometry
50007825	7	ChEMBL_1852030 (CHEMBL4352654)	Inhibition of PI3Kgamma in human whole blood assessed as reduction in anti-IgE-stimulated CD63 expression in basophils preincubated for 30 mins followed by anti-IgE stimulation
50007826	1	ChEMBL_1852059 (CHEMBL4352683)	Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as stimulation of ERK1/2 phosphorylation measured after 7 mins by Alphascreen assay
50007826	2	ChEMBL_1852058 (CHEMBL4352682)	Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4-AM dye based fluorescence assay
50007826	3	ChEMBL_1852057 (CHEMBL4352681)	Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as stimulation of ERK1/2 phosphorylation measured after 7 mins by Alphascreen assay
50007826	4	ChEMBL_1852056 (CHEMBL4352680)	Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as intracellular calcium mobilization by Fluo-4-AM dye based fluorescence assay
50007828	1	ChEMBL_1852076 (CHEMBL4352700)	Positive allosteric modulation of human Gi/Go-coupled CB1 receptor expressed in CHOK1 cells assessed as increase in CP55940-induced inhibition of forskolin-stimulated cAMP production preincubated for 30 mins followed by CP55940 addition and measured after 30 to 60 mins by Hit-hunter assay
50007828	2	ChEMBL_1852077 (CHEMBL4352701)	Agonist activity at human Gi/Go-coupled CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP production measured after 30 mins by Hit-hunter assay
50007828	3	ChEMBL_1852066 (CHEMBL4352690)	Positive allosteric modulation of human CB1 receptor expressed in CHOK1 cells assessed as increase in CP55940-induced beta-arrestin recruitment preincubated for 30 mins followed by CP55940 addition and measured after 90 to 180 mins by PathHunter assay
50007828	4	ChEMBL_1852067 (CHEMBL4352691)	Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 30 mins by PathHunter assay
50007830	1	ChEMBL_1852096 (CHEMBL4352720)	Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based spectrophotometric method
50007833	1	ChEMBL_1852105 (CHEMBL4352729)	Inhibition of Plasmodium falciparum N-terminal His-tagged falcipain-3 (33 residues) expressed in Escherichia coli M15 pREP4 using Z-Leu-Arg-AMC as substrate measured after 30 mins by spectrofluorometric method
50007833	2	ChEMBL_1852104 (CHEMBL4352728)	Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as substrate measured after 30 mins by spectrofluorometric method
50007835	1	ChEMBL_1852139 (CHEMBL4352763)	Inhibition of human Flt3
50007835	2	ChEMBL_1852145 (CHEMBL4352769)	ATP competitive inhibition of human MLK1
50007835	3	ChEMBL_1852128 (CHEMBL4352752)	Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33P] ATP by microbeta liquid scintillation counting analysis
50007835	4	ChEMBL_1852126 (CHEMBL4352750)	Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by microbeta liquid scintillation counting analysis
50007835	5	ChEMBL_1852131 (CHEMBL4352755)	Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX phosphorylation by Hoechst staining-based immunofluorescence microscopic analysis
50007835	6	ChEMBL_1852127 (CHEMBL4352751)	Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by microbeta liquid scintillation counting analysis
50007835	7	ChEMBL_1852130 (CHEMBL4352754)	ATP competitive inhibition of human c-Kit D816H mutant
50007835	8	ChEMBL_1852138 (CHEMBL4352762)	ATP competitive inhibition of human Flt3 D835Y mutant
50007835	9	ChEMBL_1852140 (CHEMBL4352764)	ATP competitive inhibition of human Flt4
50007835	10	ChEMBL_1852142 (CHEMBL4352766)	Inhibition of human GSK3beta
50007835	11	ChEMBL_1852144 (CHEMBL4352768)	ATP competitive inhibition of human Mer
50007835	12	ChEMBL_1852146 (CHEMBL4352770)	Inhibition of human PI3K p110alpha/p85alpha
50007835	13	ChEMBL_1852149 (CHEMBL4352773)	Inhibition of CYP3A4 (unknown origin)
50007835	14	ChEMBL_1852150 (CHEMBL4352774)	Inhibition of CYP2C9 (unknown origin)
50007835	15	ChEMBL_1852151 (CHEMBL4352775)	Inhibition of CYP2D6 (unknown origin)
50007835	16	ChEMBL_1852132 (CHEMBL4352756)	ATP competitive inhibition of human ABL T315I mutant
50007835	17	ChEMBL_1852143 (CHEMBL4352767)	Inhibition of human JAK2
50007835	18	ChEMBL_1852129 (CHEMBL4352753)	ATP competitive inhibition of human DYRK2
50007835	19	ChEMBL_1852141 (CHEMBL4352765)	ATP competitive inhibition of human GSK3alpha
50007835	20	ChEMBL_1852147 (CHEMBL4352771)	Inhibition of human SYK
50007835	21	ChEMBL_1852155 (CHEMBL4352779)	Inhibition of human ERG
50007836	1	ChEMBL_1852183 (CHEMBL4352807)	Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric method
50007837	1	ChEMBL_1852197 (CHEMBL4352821)	Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 peptide as substrate incubated for 1 hr by LanthaScreen assay
50007838	1	ChEMBL_1852275 (CHEMBL4352899)	Inhibition of capsid protein in Hepatitis B virus infected in human HepG2.2.15 cells assessed as reduction in viral DNA level at 4 uM supplemented with fresh medium containing compound every 2 days and measured after 6 days by RT-PCR analysis
50007838	2	ChEMBL_1852283 (CHEMBL4352907)	Inhibition of capsid protein in lamivudine/entecavir-resistant Hepatitis B virus harboring rtL180M/rtM204V/rt184L mutant infected in human HepG2.2.15 cells assessed as reduction in viral DNA level measured after 72 hrs by PCR analysis
50007839	1	ChEMBL_1852374 (CHEMBL4352998)	Inhibition of p53 protein binding to MDM2 (unknown origin) by western blot analysis
50007839	2	ChEMBL_1852372 (CHEMBL4352996)	Inhibition of p53 protein binding to MDM2 (unknown origin)
50007839	3	ChEMBL_1852381 (CHEMBL4353005)	Inhibition of p53 derived Cy5-p53 peptide (18 to 26 residues) binding to human MDM2 (2 to 188 residues) after 30 mins by TR-FRET assay
50007839	4	ChEMBL_1852380 (CHEMBL4353004)	Inhibition of p53 protein binding to MDMX (unknown origin)
50007839	5	ChEMBL_1852382 (CHEMBL4353006)	Inhibition of p53 protein binding to MDM2 in human SJSA1 cells
50007839	6	ChEMBL_1852373 (CHEMBL4352997)	Inhibition of wild type p53 protein binding to MDM2 in human HCT116 cells by immunoblot analysis
50007839	7	ChEMBL_1852379 (CHEMBL4353003)	Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDMX (2 to 185 residues) by TR-FRET assay
50007839	8	ChEMBL_1852378 (CHEMBL4353002)	Inhibition of p53 derived Cy5-TFSDLWKLL peptide binding to human MDM2 (2 to 188 residues) by TR-FRET assay
50007839	9	ChEMBL_1852377 (CHEMBL4353001)	Inhibition of MDMX (unknown origin)
50007839	10	ChEMBL_1852376 (CHEMBL4353000)	Inhibition of MDM2 (unknown origin)
50007839	11	ChEMBL_1852375 (CHEMBL4352999)	Binding affinity to MDM2 (unknown origin) by fluorescence polarization assay
50007841	1	ChEMBL_1852425 (CHEMBL4353049)	Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate by fluorescence plate reader analysis
50007841	2	ChEMBL_1852423 (CHEMBL4353047)	Inhibition of dengue virus serotype 2 His-tagged NS2B cofactor domain-NS3 protease expressed in Escherichia coli using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-NO2)-Tyr-NH2 as substrate preincubated with enzyme for 15 mins followed by substrate addition measured for every 1 sec for 15 mins by fluorescence plate reader based HPLC analysis
50007841	3	ChEMBL_1852424 (CHEMBL4353048)	Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate by fluorescence plate reader analysis
50007842	1	ChEMBL_1852481 (CHEMBL4353105)	Irreversible inhibition of BACE-1 (unknown origin)
50007842	2	ChEMBL_1852497 (CHEMBL4353121)	Inhibition of PDE5A1 (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	3	ChEMBL_1852473 (CHEMBL4353097)	Inhibition of BACE-1 (unknown origin) after 60 mins by FRET assay
50007842	4	ChEMBL_1852470 (CHEMBL4353094)	Inhibition of AChE (unknown origin)
50007842	5	ChEMBL_1852471 (CHEMBL4353095)	Inhibition of BACE-1 (unknown origin)
50007842	6	ChEMBL_1852474 (CHEMBL4353098)	Inhibition of rat liver mitochondrial MAOA [14C]-5-HT as substrate preincubated for 30 mins followed by substrate addition by liquid scintillation counting analysis
50007842	7	ChEMBL_1852475 (CHEMBL4353099)	Inhibition of rat liver mitochondrial MAOB using [14C]-PEA as substrate preincubated for 30 mins followed by substrate addition by liquid scintillation counting analysis
50007842	8	ChEMBL_1852478 (CHEMBL4353102)	Mixed type inhibition of MAOA (unknown origin)
50007842	9	ChEMBL_1852479 (CHEMBL4353103)	Mixed type inhibition of MAOB (unknown origin)
50007842	10	ChEMBL_1852482 (CHEMBL4353106)	Irreversible inhibition of MAOA (unknown origin)
50007842	11	ChEMBL_1852484 (CHEMBL4353108)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition
50007842	12	ChEMBL_1852485 (CHEMBL4353109)	Inhibition of human MAOB using benzylamine as substrate preincubated fore 15 mins followed by substrate addition measured after 20 mins by fluorescence assay
50007842	13	ChEMBL_1852486 (CHEMBL4353110)	Inhibition of recombinant human AChE
50007842	14	ChEMBL_1852468 (CHEMBL4353092)	Inhibition of electric eel AChE using acetylthiocholine as substrate measured for 3.2 mins by Ellman's method
50007842	15	ChEMBL_1852492 (CHEMBL4353116)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50007842	16	ChEMBL_1852493 (CHEMBL4353117)	Displacement of [3H]-MK-801 from NMDA receptor (unknown origin) by scintillation counting method
50007842	17	ChEMBL_1852496 (CHEMBL4353120)	Inhibition of BuChE from rat serum by Ellman's method
50007842	18	ChEMBL_1852498 (CHEMBL4353122)	Inhibition of PDE2A1 (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	19	ChEMBL_1852500 (CHEMBL4353124)	Inhibition of PDE6C (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	20	ChEMBL_1852501 (CHEMBL4353125)	Inhibition of PDE7A (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	21	ChEMBL_1852505 (CHEMBL4353129)	Inhibition of PDE9 catalytic domain (unknown origin) using [3H]cAMP or [3H]cGMP as substrate by liquid scintillation counting method
50007842	22	ChEMBL_1852469 (CHEMBL4353093)	Inhibition of NMDA receptor (unknown origin)
50007842	23	ChEMBL_1852495 (CHEMBL4353119)	Inhibition of AChE from rat cortex by Ellman's method
50007842	24	ChEMBL_1852502 (CHEMBL4353126)	Inhibition of PDE9A2 (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	25	ChEMBL_1852499 (CHEMBL4353123)	Inhibition of PDE3A (unknown origin) by immobilized metal ion affinity-based fluorescence polarization
50007842	26	ChEMBL_1852504 (CHEMBL4353128)	Inhibition of GSK3beta (unknown origin)
50007842	27	ChEMBL_1852472 (CHEMBL4353096)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by UV-visible absorption method
50007842	28	ChEMBL_1852480 (CHEMBL4353104)	Irreversible inhibition of AChE (unknown origin)
50007842	29	ChEMBL_1852483 (CHEMBL4353107)	Irreversible inhibition of MAOB (unknown origin)
50007842	30	ChEMBL_1852487 (CHEMBL4353111)	Inhibition of recombinant human BACE-1
50007842	31	ChEMBL_1852494 (CHEMBL4353118)	Displacement of [3H]-ifenprodil from NMDA receptor (unknown origin) by scintillation counting method
50007843	1	ChEMBL_1852514 (CHEMBL4353138)	Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	2	ChEMBL_1852519 (CHEMBL4353143)	Inhibition of human FMS using poly(Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	3	ChEMBL_1852530 (CHEMBL4353154)	Inhibition of human FLT3 D835V mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	4	ChEMBL_1852517 (CHEMBL4353141)	Inhibition of human BTK using poly(Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	5	ChEMBL_1852518 (CHEMBL4353142)	Inhibition of human C-kit using poly(Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	6	ChEMBL_1852520 (CHEMBL4353144)	Inhibition of human LCK using poly(Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	7	ChEMBL_1852524 (CHEMBL4353148)	Inhibition of human FLT3 D835Y mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	8	ChEMBL_1852525 (CHEMBL4353149)	Inhibition of human FLT3 F594_R595insR mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	9	ChEMBL_1852523 (CHEMBL4353147)	Inhibition of human FLT3 F594_R595insREY mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	10	ChEMBL_1852531 (CHEMBL4353155)	Inhibition of human FLT3 ITD/D835V double mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	11	ChEMBL_1852521 (CHEMBL4353145)	Inhibition of human TRKA using poly(Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	12	ChEMBL_1852528 (CHEMBL4353152)	Inhibition of human FLT3 R595_E596insEY mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	13	ChEMBL_1852516 (CHEMBL4353140)	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	14	ChEMBL_1852522 (CHEMBL4353146)	Inhibition of human FLT3 using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	15	ChEMBL_1852526 (CHEMBL4353150)	Inhibition of human FLT3 ITD/NPOS double mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	16	ChEMBL_1852532 (CHEMBL4353156)	Inhibition of human FLT3 ITD/F691L double mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	17	ChEMBL_1852527 (CHEMBL4353151)	Inhibition of human FLT3 ITD/W51 double mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007843	18	ChEMBL_1852529 (CHEMBL4353153)	Inhibition of human FLT3 Y591_V592insVDFREYEYD mutant using EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50007844	1	ChEMBL_1852720 (CHEMBL4353344)	Inhibition of P-gp in HEK293/ABCB1 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 2 uM incubated for 48 hrs by MTT assay (Rvb = 8.08 uM)
50007844	2	ChEMBL_1852722 (CHEMBL4353346)	Inhibition of P-gp-mediated Rhodamine-123 efflux in human MCF-7/DOX cells assessed as Rhodamine-123 accumulation preincubated for 15 mins followed by Rhodamine-123 addition measured after 0.5 to 4 hrs by fluorescence assay
50007844	3	ChEMBL_1852724 (CHEMBL4353348)	Inhibition of P-gp in human Caco2 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in doxorubicin IC50 at 2.2 uM incubated for 24 hrs by MTT assay
50007844	4	ChEMBL_1852719 (CHEMBL4353343)	Inhibition of P-gp in HEK293/ABCB1 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 1 uM incubated for 48 hrs by MTT assay (Rvb = 8.08 uM)
50007844	5	ChEMBL_1852723 (CHEMBL4353347)	Inhibition of P-gp in human NCI-H460/R cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in doxorubicin IC50 at 0.1 to 2.5 uM incubated for 72 hrs by MTT assay
50007844	6	ChEMBL_1852718 (CHEMBL4353342)	Inhibition of P-gp in human HK2 cells assessed as Rhodamine-123 accumulation by fluorescence assay
50007846	1	ChEMBL_1852733 (CHEMBL4353357)	Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counter
50007846	2	ChEMBL_1852731 (CHEMBL4353355)	Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counting
50007846	3	ChEMBL_1852732 (CHEMBL4353356)	Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counter
50007846	4	ChEMBL_1852734 (CHEMBL4353358)	Displacement of [3H]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter
50007847	1	ChEMBL_1852859 (CHEMBL4353483)	Inhibition of MDM2 (unknown origin)
50007847	2	ChEMBL_1852860 (CHEMBL4353484)	Binding affinity to MDM2 (unknown origin)
50007848	1	ChEMBL_1852919 (CHEMBL4353543)	Inhibition of FAK (unknown origin)
50007848	2	ChEMBL_1852918 (CHEMBL4353542)	Inhibition of recombinant FAK (410 to 689 residues) (unknown origin) using Poly (4:1 Glu, Tyr) peptide as substrate enzyme pretreated with substrate for 15 mins prior to compound addition by ELISA
50007848	3	ChEMBL_1852920 (CHEMBL4353544)	Inhibition of human recombinant FAK
50007848	4	ChEMBL_1852921 (CHEMBL4353545)	Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 60 mins by ADP-Glo assay
50007849	1	ChEMBL_1852929 (CHEMBL4353553)	Inhibition of human carbonic anhydrase 6 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	2	ChEMBL_1852930 (CHEMBL4353554)	Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	3	ChEMBL_1852925 (CHEMBL4353549)	Inhibition of human carbonic anhydrase 3 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	4	ChEMBL_1852926 (CHEMBL4353550)	Inhibition of human carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	5	ChEMBL_1852923 (CHEMBL4353547)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	6	ChEMBL_1852924 (CHEMBL4353548)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	7	ChEMBL_1852927 (CHEMBL4353551)	Inhibition of human carbonic anhydrase 5A incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	8	ChEMBL_1852928 (CHEMBL4353552)	Inhibition of human carbonic anhydrase 5B incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	9	ChEMBL_1852932 (CHEMBL4353556)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	10	ChEMBL_1852933 (CHEMBL4353557)	Inhibition of human carbonic anhydrase 13 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007849	11	ChEMBL_1852931 (CHEMBL4353555)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
50007851	1	ChEMBL_1852939 (CHEMBL4353563)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by Ellman's method
50007851	2	ChEMBL_1852938 (CHEMBL4353562)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Ellman's method
50007852	1	ChEMBL_1852978 (CHEMBL4353602)	Inhibition of human N-terminal His-tagged SIRT1 expressed in Escherichia coli using p53 (Arg-His-Lys-Lys(Ac)) (379 to 382 residues) as substrate incubated for 3 hrs measured up to 30 mins by fluorescence assay
50007852	2	ChEMBL_1852989 (CHEMBL4353613)	Inhibition of human N-terminal His-tagged SIRT2 expressed in Escherichia coli using p53 (Gln-Pro-Lys-Lys(Ac)) (317 to 320 residues) as substrate incubated for 3 hrs measured up to 30 mins in presence of NAD+ by fluorescence-based Michaelis-Menten plot analysis
50007852	3	ChEMBL_1852980 (CHEMBL4353604)	Inhibition of human N-terminal His-tagged SIRT2 expressed in Escherichia coli using p53 (Gln-Pro-Lys-Lys(Ac)) (317 to 320 residues) as substrate incubated for 3 hrs measured up to 30 mins by fluorescence assay
50007852	4	ChEMBL_1852982 (CHEMBL4353606)	Inhibition of human N-terminal His-tagged SIRT3 (102 to 399 residues) expressed in Escherichia coli using p53 (Gln-Pro-Lys-Lys(Ac)) (317 to 320 residues) as substrate incubated for 3 hrs measured up to 30 mins by fluorescence assay
50007853	1	ChEMBL_1853010 (CHEMBL4353634)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 using p-tyramine as substrate incubated for 30 mins followed by substrate addition by horse radish peroxidase/Amplex red reagent based fluorescence assay
50007853	2	ChEMBL_1853012 (CHEMBL4353636)	Inhibition of electric eel AChE assessed as reduction in production of H202 using acetylcholine as substrate incubated for 15 mins followed by substrate addition by horse radish peroxidase/Amplex red reagent based fluorescence assay
50007853	3	ChEMBL_1853011 (CHEMBL4353635)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in production of H202 using p-tyramine as substrate incubated for 30 mins followed by substrate addition by horse radish peroxidase/Amplex red reagent based fluorescence assay
50007854	1	ChEMBL_1853040 (CHEMBL4353664)	Antagonist activity at Gal4 DBD-fused human FXR LBD expressed in human HepG2 cells after 8 hrs by luciferase reporter gene assay
50007854	2	ChEMBL_1853058 (CHEMBL4353682)	Antagonist activity at FXR (unknown origin)
50007858	1	ChEMBL_1853099 (CHEMBL4353723)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 4 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	2	ChEMBL_1853066 (CHEMBL4353690)	Inhibition of KDM5B (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG as cosubstrate pre-incubated for 15 mins before substrate addition followed by centrifugation for 15 secs and measured after 20 mins by Alphascreen assay
50007858	3	ChEMBL_1853081 (CHEMBL4353705)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 100 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	4	ChEMBL_1853065 (CHEMBL4353689)	Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus infected Sf9 insect cells assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 20 mins by AlphaScreen assay
50007858	5	ChEMBL_1853106 (CHEMBL4353730)	Binding affinity to KDM4A (unknown origin)
50007858	6	ChEMBL_1853107 (CHEMBL4353731)	Binding affinity to KDM5B (unknown origin)
50007858	7	ChEMBL_1853064 (CHEMBL4353688)	Inhibition of N-terminal His-tagged recombinant human KDM4A (1 to 359 residues) expressed in Escherichia coli assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 20 mins by AlphaScreen assay
50007858	8	ChEMBL_1853068 (CHEMBL4353692)	Inhibition of KDM2A (unknown origin) by Alphascreen assay
50007858	9	ChEMBL_1853070 (CHEMBL4353694)	Inhibition of KDM6B (unknown origin) by Alphascreen assay
50007858	10	ChEMBL_1853067 (CHEMBL4353691)	Inhibition of KDM5C (unknown origin) assessed as decrease in demethylation of substrate using peptide (H3(1-21)K4-Me3-GGKBiotin) as substrate and 2OG as cosubstrate pre-incubated for 15 mins before substrate addition followed by centrifugation for 15 secs and measured after 20 mins by Alphascreen assay
50007858	11	ChEMBL_1853080 (CHEMBL4353704)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 50 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	12	ChEMBL_1853089 (CHEMBL4353713)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 8 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	13	ChEMBL_1853110 (CHEMBL4353734)	Binding affinity to recombinant human N-terminal KDM5B (26 to 772 residues) fused with ePL-tagged C-terminal transfected in HEK293T cells measured after 30 mins by chemiluminescence based cellular target engagement assay
50007858	14	ChEMBL_1853111 (CHEMBL4353735)	Inhibition of FLAG tagged full length wild type human KDM4A transfected in HeLa cells assessed as decrease in demethylation of H3K9Me3 measured after 24 hrs by cell analyser based immunofluorescence assay
50007858	15	ChEMBL_1853109 (CHEMBL4353733)	Binding affinity to recombinant human N-terminal KDM4B (1 to 348 residues) fused upstream with E31G-R71G-K105E/ePL-tagged C-terminal transfected in HEK293T cells measured after 30 mins by chemiluminescence based cellular target engagement assay
50007858	16	ChEMBL_1853092 (CHEMBL4353716)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 100 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	17	ChEMBL_1853113 (CHEMBL4353737)	Inhibition of full length human wild type KDM5B transfected in HeLa cells assessed as decrease in demethylation of H3K4Me3 measured after 24 hrs by cell analyser based immunofluorescence assay
50007858	18	ChEMBL_1853087 (CHEMBL4353711)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 2 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	19	ChEMBL_1853088 (CHEMBL4353712)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 4 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	20	ChEMBL_1853090 (CHEMBL4353714)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 16 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	21	ChEMBL_1853093 (CHEMBL4353717)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 300 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	22	ChEMBL_1853086 (CHEMBL4353710)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 1 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	23	ChEMBL_1853085 (CHEMBL4353709)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 0.5 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	24	ChEMBL_1853083 (CHEMBL4353707)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 1000 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	25	ChEMBL_1853082 (CHEMBL4353706)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 300 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	26	ChEMBL_1853079 (CHEMBL4353703)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 16 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	27	ChEMBL_1853076 (CHEMBL4353700)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 2 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	28	ChEMBL_1853075 (CHEMBL4353699)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 1 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	29	ChEMBL_1853073 (CHEMBL4353697)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 0.25 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	30	ChEMBL_1853069 (CHEMBL4353693)	Inhibition of KDM3A (unknown origin) by Alphascreen assay
50007858	31	ChEMBL_1853078 (CHEMBL4353702)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 8 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	32	ChEMBL_1853084 (CHEMBL4353708)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 0.25 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	33	ChEMBL_1853091 (CHEMBL4353715)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 50 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	34	ChEMBL_1853095 (CHEMBL4353719)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 0.25 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	35	ChEMBL_1853096 (CHEMBL4353720)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 0.5 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	36	ChEMBL_1853098 (CHEMBL4353722)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 2 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	37	ChEMBL_1853100 (CHEMBL4353724)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 8 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	38	ChEMBL_1853101 (CHEMBL4353725)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 16 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	39	ChEMBL_1853105 (CHEMBL4353729)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 1000 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	40	ChEMBL_1853094 (CHEMBL4353718)	Inhibition of full length human KDM4B assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 1000 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	41	ChEMBL_1853102 (CHEMBL4353726)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 50 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	42	ChEMBL_1853074 (CHEMBL4353698)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 0.5 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	43	ChEMBL_1853077 (CHEMBL4353701)	Inhibition of full length human KDM4A A482E mutant assessed as decrease in demethylation of substrate using peptide (ARTKQTARK(Me3)STGGKAPRKQLA-GGKbiotin) as substrate and 4 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	44	ChEMBL_1853097 (CHEMBL4353721)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 1 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	45	ChEMBL_1853103 (CHEMBL4353727)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 100 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007858	46	ChEMBL_1853104 (CHEMBL4353728)	Inhibition of full length human KDM5B assessed as decrease in demethylation of substrate using peptide ARTK(me3)QTARKSTGGKAPRKQLA-GGK-biotin as substrate and 300 uM 2OG as cosubstrate pre-incubated for 10 mins before substrate addition followed by centrifugation for 1 min and measured after 15 mins by AlphaScreen assay
50007859	1	ChEMBL_1853287 (CHEMBL4353911)	Inhibition of human liver cathepsin B assessed as inhibition constant using Z-Arg-Arg-AMC as substrate measured every 5 mins for 1 hr by fluorescence assay
50007859	2	ChEMBL_1853289 (CHEMBL4353913)	Inhibition of human liver cathepsin L assessed as inhibition constant using Z-Phe-Arg-AMC as substrate measured every 5 mins for 1 hr by fluorescence assay
50007859	3	ChEMBL_1853291 (CHEMBL4353915)	Displacement of [177Lu] DOTA-beta-ala-[N-alpha-Me8, Dmt11, Tle12] NT6-13 from neurotensin receptor in human HT-29 cells incubated for 45 mins by gamma counter analysis
50007860	1	ChEMBL_1853363 (CHEMBL4353987)	Inhibition of human recombinant C-terminal FLAG-tagged HDAC2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay
50007860	2	ChEMBL_1853364 (CHEMBL4353988)	Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay
50007860	3	ChEMBL_1853362 (CHEMBL4353986)	Inhibition of human recombinant C-terminal His/FLAG-tagged HDAC1 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fluorescence based assay
50007861	1	ChEMBL_1853391 (CHEMBL4354015)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method
50007861	2	ChEMBL_1853389 (CHEMBL4354013)	Displacement of [3H]-methylspiperone from human D2 long receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method
50007861	3	ChEMBL_1853390 (CHEMBL4354014)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by liquid scintillation counter method
50007861	4	ChEMBL_1853387 (CHEMBL4354011)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counter method
50007861	5	ChEMBL_1853388 (CHEMBL4354012)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHOK1 cells incubated for 1 hr by liquid scintillation counter method
50007862	1	ChEMBL_1853418 (CHEMBL4354042)	Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells using L-tryptophan as substrate incubated for 30 mins by methylene blue dye based microplate reader analysis
50007862	2	ChEMBL_1853419 (CHEMBL4354043)	Inhibition of recombinant human IDO1 expressed in HEK293 cells assessed as N-formylkynurenine formation by measuring kynurenine level incubated for 12 hrs by microplate reader analysis
50007862	3	ChEMBL_1853420 (CHEMBL4354044)	Inhibition of human ERG
50007864	1	ChEMBL_1853449 (CHEMBL4354073)	Agonist activity at human TLR7 in HEK293 cells cotransfected with SEAP reporter gene assessed as activity of SEAP incubated for 24 hrs by quanti-blue staining based SEAP reporter gene assay
50007865	1	ChEMBL_1853466 (CHEMBL4354090)	Agonist activity at human constitutive androstane receptor expressed in HepG2 cells co-expressing CYP2B6 incubated for 23 hrs by One-Glo luciferase reporter gene assay
50007866	1	ChEMBL_1853569 (CHEMBL4354193)	Inhibition of CDK2/cyclin A2 (unknown origin) using histone H1 and ATP as substrate incubated for 40 mins by kinase-glo luminescence assay
50007867	1	ChEMBL_1853617 (CHEMBL4354241)	Agonist activity at human adenosine receptor A2A expressed in HEK293 cells assessed as cAMP accumulation incubated for 30 mins by Eu-cAMP tracer-based Envision plate reader analysis
50007867	2	ChEMBL_1853612 (CHEMBL4354236)	Displacement of [3H]CGS21680 from human cloned adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 60 mins by microbeta counting method
50007867	3	ChEMBL_1853619 (CHEMBL4354243)	Displacement of [3H]CPX from human adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 2 hrs by radioligand competitive binding analysis
50007867	4	ChEMBL_1853611 (CHEMBL4354235)	Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting method
50007867	5	ChEMBL_1853608 (CHEMBL4354232)	Binding affinity to human recombinant adenosine receptor A2A expressed in CHO cells assessed as inhibitory constant by radioligand competition assay
50007867	6	ChEMBL_1853618 (CHEMBL4354242)	Displacement of [3H]ZM241385 from human adenosine receptor A2A expressed in HEK-293 cell membrane incubated for 2 hrs by radioligand competitive binding analysis
50007867	7	ChEMBL_1853610 (CHEMBL4354234)	Agonist activity at human adenosine receptor A1
50007867	8	ChEMBL_1853609 (CHEMBL4354233)	Agonist activity at human adenosine receptor A2A
50007868	1	ChEMBL_1853620 (CHEMBL4354244)	Inhibition of recombinant human N-terminal GST-tagged ROS1 (catalytic domain 1883 - 2347 residues) expressed in baculovirus system assessed as decrease in substrate phosphorylation using TK peptide as substrate preincubated with enzyme for 30 mins followed by substrate addition by HTRF method
50007868	2	ChEMBL_1853621 (CHEMBL4354245)	Inhibition of recombinant human N-terminal GST-tagged ALK (catalytic domain 1058 - 1620 residues) expressed in baculovirus system assessed as decrease in substrate phosphorylation using TK peptide as substrate preincubated with enzyme for 30 mins followed by substrate addition by HTRF method
50007868	3	ChEMBL_1853644 (CHEMBL4354268)	Inhibition of ALK L1196M mutant (unknown origin) at 1 uM
50007869	1	ChEMBL_1853663 (CHEMBL4354287)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyramine as substrate incubated for 20 mins by horse-radish peroxidase/amplex red-based fluorescence method
50007869	2	ChEMBL_1853664 (CHEMBL4354288)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyramine as substrate incubated for 20 mins by horse-radish peroxidase/amplex red-based fluorescence method
50007869	3	ChEMBL_1853674 (CHEMBL4354298)	Inhibition of BuChE in human serum using S-butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition measured for 15 mins by Ellman's method
50007869	4	ChEMBL_1853670 (CHEMBL4354294)	Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate by Dixon- plot analysis
50007869	5	ChEMBL_1853673 (CHEMBL4354297)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition measured for 15 mins by Ellman's method
50007869	6	ChEMBL_1853675 (CHEMBL4354299)	Inhibition of rat MAO-B
50007872	1	ChEMBL_1853690 (CHEMBL4354314)	Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in Wistar rat brain membrane incubated for 3 hrs by gamma counting analysis
50007872	2	ChEMBL_1853702 (CHEMBL4354326)	Displacement of [3H]BRL 43694 from human 5HT3R by radioligand displacement assay
50007872	3	ChEMBL_1853701 (CHEMBL4354325)	Displacement of [3H]cytisine from human recombinant alpha4beta2 nAChR incubated for 120 mins by radiometric scintillation analysis
50007873	1	ChEMBL_1853738 (CHEMBL4354362)	Inhibition of recombinant human His-tagged TrkA catalytic domain (441 to 796 residues) expressed in baculovirus expression system using tyr 01 as substrate incubated for 1 hr by Z'-Lyte assay
50007873	2	ChEMBL_1853739 (CHEMBL4354363)	Inhibition of recombinant human His-tagged TrkB catalytic domain (526 to 838 residues) expressed in baculovirus expression system using tyr 01 as substrate incubated for 1 hr by Z'-Lyte assay
50007873	3	ChEMBL_1853741 (CHEMBL4354365)	Inhibition of recombinant full length human His-tagged ABL1 expressed in baculovirus infected insect cells using tyr 02 as substrate incubated for 2 hr by Z'-Lyte assay
50007873	4	ChEMBL_1853740 (CHEMBL4354364)	Inhibition of recombinant human His-tagged TrkC cytoplasmic domain (510 to 825 residues) expressed in baculovirus using tyr 01 as substrate incubated for 1 hr by Z'-Lyte assay
50007874	1	ChEMBL_1853777 (CHEMBL4354401)	Inhibition of R1881 induced-AR transcriptional activity in AR-positive human 22Rv1 cells harboring ARE14 construct after 24 hrs by luciferase assay
50007877	1	ChEMBL_1853819 (CHEMBL4354443)	Inhibition of recombinant human His-tagged BRD4 bromodomain 1/2 (2 to 1362 residues) expressed in s9f insect cells using biotinylated H4(1 to 21)K5/8/12/16Ac peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Alpha screen assay
50007879	1	ChEMBL_1853896 (CHEMBL4354520)	Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay
50007879	2	ChEMBL_1853898 (CHEMBL4354522)	Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay
50007879	3	ChEMBL_1853899 (CHEMBL4354523)	Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay
50007879	4	ChEMBL_1853897 (CHEMBL4354521)	Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay
50007881	1	ChEMBL_1853918 (CHEMBL4354542)	Agonist activity at FFA1 receptor (unknown origin) stably expressed in CHO cells assessed as increase in calcium flux by Fluo4-AM based FLIPR assay
50007884	1	ChEMBL_1853979 (CHEMBL4354603)	Inhibition of BuChE in equine serum using Butyrylthiocholine iodide as substrate by Ellman's method
50007884	2	ChEMBL_1853978 (CHEMBL4354602)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Ellman's method
50007885	1	ChEMBL_1854052 (CHEMBL4354676)	Inhibition of recombinant human CYP3A4 using Luciferin-PPXE as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins by luminometric method
50007886	1	ChEMBL_1854116 (CHEMBL4354740)	Agonist activity at human KCNQ2/3 expressed in HEK293 cells by FLIPR based thallium influx assay
50007891	1	ChEMBL_1854137 (CHEMBL4354761)	Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorimetric assay
50007891	2	ChEMBL_1854132 (CHEMBL4354756)	Inhibition of electric eel AChE using acetylthiocholine iodide incubated for 15 mins as substrate by Ellman's method
50007891	3	ChEMBL_1854133 (CHEMBL4354757)	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50007891	4	ChEMBL_1854136 (CHEMBL4354760)	Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorimetric assay
50007895	1	ChEMBL_1854148 (CHEMBL4354772)	Inhibition of FLT3 (unknown origin)
50007895	2	ChEMBL_1854152 (CHEMBL4354776)	Inhibition of FLT3 (unknown origin) using peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition further incubated for 1 hr by mobility shift assay
50007897	1	ChEMBL_1854414 (CHEMBL4355143)	Inhibition of Trypanosoma cruzi cruzain (unknown origin) using Z-FR-MCA as substrate by spectrofluorimetric method
50007897	2	ChEMBL_1854415 (CHEMBL4355144)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli assessed as reduction in p-nitrophenol formation using p-nitrophenyl phosphate as substrate incubated for 30 mins by spectrophotometric method
50007897	3	ChEMBL_1854428 (CHEMBL4355157)	Inhibition of Papaya papain using Z-FR-MCA as substrate by spectrofluorimetric method
50007897	4	ChEMBL_1854413 (CHEMBL4355142)	Inhibition of trypsin (unknown origin) using Z-FR-MCA as substrate by spectrofluorimetric method
50007899	1	ChEMBL_1854460 (CHEMBL4355189)	Inhibition of recombinant KLK14 (unknown origin) expressed in Spodoptera frugiperda Sf9 cells using pNA peptide as susbtrate measured every 10 secs for 300 secs by spectrophotometric analysis
50007899	2	ChEMBL_1854456 (CHEMBL4355185)	Inhibition of recombinant human KLK14 expressed in Spodoptera frugiperda Sf9 cells using Boc-QAR-MCA as susbtrate measured every 60 secs for 10 mins by fluorescence based assay
50007899	3	ChEMBL_1854454 (CHEMBL4355183)	Inhibition of recombinant human KLK5 expressed in expressed in Pichia pastoris X-33 cells using Boc-VPR-MCA as susbtrate measured every 60 secs for 10 mins by fluorescence based assay
50007899	4	ChEMBL_1854455 (CHEMBL4355184)	Inhibition of recombinant human KLK7 expressed in expressed in Pichia pastoris X-33 cells using KHLY-pNA as susbtrate measured every 15 secs for 10 mins by colorimetric analysis
50007899	5	ChEMBL_1854458 (CHEMBL4355187)	Inhibition of recombinant human matriptase using Boc-QAR-MCA as susbtrate measured every 60 secs for 10 mins by fluorescence based assay
50007899	6	ChEMBL_1854459 (CHEMBL4355188)	Inhibition of recombinant KLK5 (unknown origin) expressed in Pichia pastoris X-33 cells using pNA peptide as susbtrate measured every 10 secs for 300 secs by spectrometric analysis
50007899	7	ChEMBL_1854453 (CHEMBL4355182)	Inhibition of recombinant KLK7 (unknown origin) expressed in Pichia pastoris X-33 cells using p-NA peptide as substrate measured every 10 secs for 300 secs by spectrophotometric analysis
50007899	8	ChEMBL_1854461 (CHEMBL4355190)	Inhibition of recombinant human matriptase catalytic domain using Boc-QARAMC as substrate preincubated for 1 hr followed by substrate addition
50007900	1	ChEMBL_1854469 (CHEMBL4355198)	Inhibition of human PDE10A2 catalytic domain (446 to 789 residues) expressed in Escherichia coli BL21 cells using [3H]-cGMP as substrate after 15 mins by liquid scintillation analysis
50007900	2	ChEMBL_1854478 (CHEMBL4355207)	Inhibition of PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	3	ChEMBL_1854522 (CHEMBL4355251)	Inhibition of FGFR3 (unknown origin)
50007900	4	ChEMBL_1854530 (CHEMBL4355259)	Inhibition of BRD4 (unknown origin)
50007900	5	ChEMBL_1854512 (CHEMBL4355241)	Inhibition of human Gal4-fused ER alpha expressed in 293FT cells after 24 hrs by luciferase reporter gene assay
50007900	6	ChEMBL_1854513 (CHEMBL4355242)	Inhibition of recombinant full-length human His-tagged ABL1 expressed in baculovirus expression system using Tyr2 peptide as substrate after 2 hrs by FRET-based Z-LYTE assay
50007900	7	ChEMBL_1854515 (CHEMBL4355244)	Inhibition of recombinant human full length HDAC6 expressed in Sf9 insect cells using acetylated peptide as susbtrate after 60 mins by fluorescence based assay
50007900	8	ChEMBL_1854516 (CHEMBL4355245)	Inhibition of electric eel AChE using ATC as substrate after 15 mins by Ellman's method
50007900	9	ChEMBL_1854517 (CHEMBL4355246)	Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's method
50007900	10	ChEMBL_1854519 (CHEMBL4355248)	Inhibition of ER beta ((unknown origin))
50007900	11	ChEMBL_1854520 (CHEMBL4355249)	Inhibition of FGFR1 (unknown origin)
50007900	12	ChEMBL_1854524 (CHEMBL4355253)	Inhibition of FLT3 (unknown origin)
50007900	13	ChEMBL_1854525 (CHEMBL4355254)	Inhibition of Aurora A (unknown origin)
50007900	14	ChEMBL_1854526 (CHEMBL4355255)	Inhibition of Aurora B (unknown origin)
50007900	15	ChEMBL_1854528 (CHEMBL4355257)	Inhibition of EGFR (unknown origin)
50007900	16	ChEMBL_1854529 (CHEMBL4355258)	Inhibition of ZAK (unknown origin)
50007900	17	ChEMBL_1854471 (CHEMBL4355200)	Inhibition of human N-terminal GST-tagged PDE1C catalytic domain (2 to 634 residues) expressed in baculovirus infected Sf9 cells
50007900	18	ChEMBL_1854472 (CHEMBL4355201)	Inhibition of PDE2A catalytic domain (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	19	ChEMBL_1854474 (CHEMBL4355203)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 cells
50007900	20	ChEMBL_1854475 (CHEMBL4355204)	Inhibition of PDE6C (1 to 858 residues) (unknown origin)
50007900	21	ChEMBL_1854476 (CHEMBL4355205)	Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	22	ChEMBL_1854514 (CHEMBL4355243)	Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using acetylated peptide as susbtrate after 60 mins by fluorescence based assay
50007900	23	ChEMBL_1854518 (CHEMBL4355247)	Inhibition of human ERG expressd in CHO-hERG cells after 2.5 hrs by Rb+ efflux assay
50007900	24	ChEMBL_1854523 (CHEMBL4355252)	Inhibition of FGFR4 (unknown origin)
50007900	25	ChEMBL_1854527 (CHEMBL4355256)	Inhibition of PLK1 (unknown origin)
50007900	26	ChEMBL_1854531 (CHEMBL4355260)	Inhibition of COX2 (unknown origin)
50007900	27	ChEMBL_1854468 (CHEMBL4355197)	Inhibition of PDE4A (unknown origin)
50007900	28	ChEMBL_1854470 (CHEMBL4355199)	Inhibition of PDE1B catalytic domain (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	29	ChEMBL_1854473 (CHEMBL4355202)	Inhibition of PDE3A catalytic domain (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	30	ChEMBL_1854479 (CHEMBL4355208)	Inhibition of PDE9A2 catalytic domain (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007900	31	ChEMBL_1854521 (CHEMBL4355250)	Inhibition of FGFR2 (unknown origin)
50007900	32	ChEMBL_1854467 (CHEMBL4355196)	Inhibition of PDE3A (unknown origin)
50007900	33	ChEMBL_1854477 (CHEMBL4355206)	Inhibition of PDE7A1 catalytic domain (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 cells
50007901	1	ChEMBL_1854535 (CHEMBL4355264)	Inhibition of iNOS in LPS-stimulated mouse RAW 264.7 cells preincubated for 1 hr followed by LPS-stimulation and measured after 6 hrs by fluorescence based assay
50007904	1	ChEMBL_1854561 (CHEMBL4355290)	Inhibition of BTK (unknown origin)
50007905	1	ChEMBL_1854563 (CHEMBL4355292)	Inhibition of Plasmodium falciparum plasmepsin 2 using Dabcyl-ERNIef:LSFP-EDANS as substrate incubated for 40 mins by FRET assay
50007905	2	ChEMBL_1854566 (CHEMBL4355295)	Inhibition of Plasmodium falciparum plasmepsin 4 by FRET assay
50007905	3	ChEMBL_1854570 (CHEMBL4355299)	Inhibition of human liver cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET assay
50007905	4	ChEMBL_1854569 (CHEMBL4355298)	Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET assay
50007905	5	ChEMBL_1854571 (CHEMBL4355300)	Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured after 30 mins by fluorescence method
50007905	6	ChEMBL_1854567 (CHEMBL4355296)	Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled peptide substrate by fluorescence method
50007905	7	ChEMBL_1854568 (CHEMBL4355297)	Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method
50007905	8	ChEMBL_1854565 (CHEMBL4355294)	Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition measured every minute for 8 to 15 mins by FRET assay
50007905	9	ChEMBL_1854564 (CHEMBL4355293)	Inhibition of Plasmodium falciparum plasmepsin 2 by FRET assay
50007907	1	ChEMBL_1854814 (CHEMBL4355543)	Inhibition of recombinant human B-RAF V600E mutant using Ser/Thr3 as substrate after 1 hr by FRET-based Z'-Lyte assay
50007907	2	ChEMBL_1854813 (CHEMBL4355542)	Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after 30 mins by ADP-Glo assay
50007907	3	ChEMBL_1854852 (CHEMBL4355581)	Binding affinity to human ZAK
50007907	4	ChEMBL_1854853 (CHEMBL4355582)	Binding affinity to human ABL1
50007907	5	ChEMBL_1854854 (CHEMBL4355583)	Binding affinity to human BLK
50007907	6	ChEMBL_1854857 (CHEMBL4355586)	Binding affinity to human LIMK1
50007907	7	ChEMBL_1854858 (CHEMBL4355587)	Binding affinity to human LIMK2
50007907	8	ChEMBL_1854859 (CHEMBL4355588)	Binding affinity to human RIPK2
50007907	9	ChEMBL_1854816 (CHEMBL4355545)	Binding affinity to ATP-binding site of human ZAK expressed in Escherichia coli by active site-dependent competition binding assay
50007907	10	ChEMBL_1854855 (CHEMBL4355584)	Binding affinity to human FLT3 F691L mutant
50007907	11	ChEMBL_1854811 (CHEMBL4355540)	Inhibition of human ABL1
50007907	12	ChEMBL_1854856 (CHEMBL4355585)	Binding affinity to human LCK
50007908	1	ChEMBL_1854877 (CHEMBL4355606)	Inhibition of Dengue virus serotype 1 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by fluorescence method
50007908	2	ChEMBL_1854883 (CHEMBL4355612)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease expressed in Escherichia coli C41 cells preincubated for 15 mins followed by GRR-AMC addition and measured over 15 mins by fluorescence method
50007908	3	ChEMBL_1854880 (CHEMBL4355609)	Inhibition of Dengue virus serotype 4 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by fluorescence method
50007908	4	ChEMBL_1854891 (CHEMBL4355620)	Inhibition of Zika virus unlinked NS2B-NS3 protease preincubated for 5 mins followed by benzoyl-nKRR-AMC addition and measured every 60 secs for 12 mins by fluorescence method
50007908	5	ChEMBL_1854878 (CHEMBL4355607)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by fluorescence method
50007908	6	ChEMBL_1854879 (CHEMBL4355608)	Inhibition of Dengue virus serotype 3 NS2B-NS3 protease preincubated for 20 mins followed by Abz-RRRRSAG-nY-NH2 addition and measured for 60 mins by fluorescence method
50007908	7	ChEMBL_1854887 (CHEMBL4355616)	Inhibition of N-terminal His6-SUMO tagged Zika virus Puerto Rico NS2B-NS3 linked protease expressed in Escherichia coli BL21 Codon Plus (DE3) cells preincubated for 10 mins followed by pyr-TGKR-AMC addition and measured every 5 secs for 2 mins by fluorometric enzyme assay
50007908	8	ChEMBL_1854881 (CHEMBL4355610)	Inhibition of Dengue virus serotype 2 NS2B(40 residues)-NS3 (185 residues) protease preincubated for 30 mins followed by ABz-nKRR-AMC addition and measured after 30 mins by fluorescence method
50007908	9	ChEMBL_1854882 (CHEMBL4355611)	Inhibition of West Nile virus protease
50007908	10	ChEMBL_1854884 (CHEMBL4355613)	Inhibition of West Nile virus NS2B (47 residues)-NS3 (184 residues) protease expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by Benzoyl-Nle-KRR-AMC addition and measured after 30 mins by fluorescence method
50007908	11	ChEMBL_1854885 (CHEMBL4355614)	Inhibition of West Nile virus NS2B-NS3 protease preincubated for 1 hr followed by Pyr-RTKR-AMC addition and measured after 30 mins by fluorescence method
50007908	12	ChEMBL_1854875 (CHEMBL4355604)	Inhibition of West Nile virus NS2B-NS3 protease preincubated for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr addition and measured for 15 mins by fluorescence method
50007908	13	ChEMBL_1854889 (CHEMBL4355618)	Inhibition of N-terminal His6-SUMO tagged Zika virus Puerto Rico NS2B-NS3 unlinked protease expressed in Escherichia coli BL21 Codon Plus (DE3) cells preincubated for 90 mins followed by pyr-TGKR-AMC addition and measured every 5 secs for 2 mins by fluorometric enzyme assay
50007908	14	ChEMBL_1854886 (CHEMBL4355615)	Inhibition of West Nile virus NS2B-NS3 protease preincubated for 10 mins followed by Np-KKR-pNA addition and measured every 5 secs for 2 mins by fluorescence method
50007908	15	ChEMBL_1854874 (CHEMBL4355603)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr addition and measured for 15 mins by fluorescence method
50007908	16	ChEMBL_1854890 (CHEMBL4355619)	Inhibition of Zika virus IbH_30656 NS2B (45 to 96 residues)-NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21/Rosetta (DE3) cells preincubated for 60 mins followed by Bz-nKRR-AMC addition and measured at 60 secs intervals over 10 mins by fluorescence method
50007908	17	ChEMBL_1854888 (CHEMBL4355617)	Inhibition of N-terminal His6-SUMO tagged Zika virus Puerto Rico NS2B-NS3 unlinked protease expressed in Escherichia coli BL21 Codon Plus (DE3) cells preincubated for 10 mins followed by pyr-TGKR-AMC addition and measured every 5 secs for 2 mins by fluorometric enzyme assay
50007909	1	ChEMBL_1854915 (CHEMBL4355644)	Inhibition of Acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Ellman's spectrophotometric method
50007909	2	ChEMBL_1854921 (CHEMBL4355650)	Inhibition of human PARP1 expressed in Escherichia coli using histone as substrate by ELISA
50007909	3	ChEMBL_1854922 (CHEMBL4355651)	Inhibition of human PARP1 expressed in Escherichia coli incubated for 15 to 40 mins by ELISA
50007909	4	ChEMBL_1854929 (CHEMBL4355658)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-beta induced PGE2 release preincubated for 30 mins followed by IL-beta addition and measured after 16 to 20 hrs by HTRF assay
50007909	5	ChEMBL_1854920 (CHEMBL4355649)	Inhibition of human PARP1 expressed in Escherichia coli incubated for 10 mins by colorimetric assay
50007909	6	ChEMBL_1854902 (CHEMBL4355631)	Inhibition of VEGFR2 (unknown origin)
50007909	7	ChEMBL_1854905 (CHEMBL4355634)	Inhibition of human Aldose reductase
50007909	8	ChEMBL_1854906 (CHEMBL4355635)	Inhibition of human placenta Aldose reductase
50007909	9	ChEMBL_1854901 (CHEMBL4355630)	Inhibition of VEGFR1 (unknown origin)
50007909	10	ChEMBL_1854917 (CHEMBL4355646)	Inhibition of PARP1 (unknown origin) by colorimetric assay
50007909	11	ChEMBL_1854925 (CHEMBL4355654)	Inhibition of C-terminal His4-tagged Aurora A (unknown origin) using PKB-GSK2 biotinylated peptide as substrate incubated for 90 mins by ELISA
50007909	12	ChEMBL_1854900 (CHEMBL4355629)	Inhibition of N-terminal GST-tagged human PARP1 expressed in a Baculovirus infected Sf9 insect cells using biotinylated substrate incubated for 1 hr by colorimetric method
50007909	13	ChEMBL_1854910 (CHEMBL4355639)	Inhibition of ovine COX1 preincubated for 5 mins followed by arachidonic acid addition and measured after 2 mins by colorimetric method
50007909	14	ChEMBL_1854916 (CHEMBL4355645)	Inhibition of PARP2 (unknown origin)
50007909	15	ChEMBL_1854930 (CHEMBL4355659)	Inhibition of human CFTR F508 deletion mutant expressed in rat FRT cells coexpressing YFP-H148Q/I152L 25,22 incubated for 60 to 120 mins in presence of forskolin by fluorescent method
50007910	1	ChEMBL_1854995 (CHEMBL4355724)	Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in release of 7-amino-4-methoxycoumarin using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 60 sec by microplate reader assay
50007910	2	ChEMBL_1855004 (CHEMBL4355733)	Inhibition of recombinant full length human HDAC1 expressed in Escherichia coli cells using Fluor de Lys as substrate preincubated for 15 mins followed by substrate addition for 60 mins by fluorescence assay
50007910	3	ChEMBL_1854944 (CHEMBL4355673)	Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50007910	4	ChEMBL_1854956 (CHEMBL4355685)	Inhibition of recombinant human HDAC9 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	5	ChEMBL_1854966 (CHEMBL4355695)	Inhibition of HDAC6 CD2 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007910	6	ChEMBL_1854945 (CHEMBL4355674)	Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50007910	7	ChEMBL_1854952 (CHEMBL4355681)	Inhibition of recombinant human HDAC5 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	8	ChEMBL_1854941 (CHEMBL4355670)	Inhibition of human recombinant HDAC6 using fluorogenic substrate incubated for 30 mins by fluorescence assay
50007910	9	ChEMBL_1854996 (CHEMBL4355725)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in release of 7-amino-4-methoxycoumarin using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 60 sec by microplate reader assay
50007910	10	ChEMBL_1854999 (CHEMBL4355728)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells assessed as decrease in release of 7-amino-4-methoxycoumarin using fluorogenic HDAC as substrate measured after 30 mins by fluorescence based analysis
50007910	11	ChEMBL_1855001 (CHEMBL4355730)	Inhibition of HDAC1 (unknown origin)
50007910	12	ChEMBL_1855002 (CHEMBL4355731)	Inhibition of HDAC6 (unknown origin)
50007910	13	ChEMBL_1855005 (CHEMBL4355734)	Inhibition of recombinant full-length human HDAC6 expressed in baculovirus infected sf9 insect cells using Fluor de Lys as substrate preincubated for 15 mins followed by substrate addition for 60 mins by fluorescence assay
50007910	14	ChEMBL_1854934 (CHEMBL4355663)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate by fluorescence assay
50007910	15	ChEMBL_1854947 (CHEMBL4355676)	Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf21 insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50007910	16	ChEMBL_1854948 (CHEMBL4355677)	Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorescence assay
50007910	17	ChEMBL_1854950 (CHEMBL4355679)	Inhibition of recombinant human HDAC1 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	18	ChEMBL_1854951 (CHEMBL4355680)	Inhibition of recombinant human HDAC4 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	19	ChEMBL_1854953 (CHEMBL4355682)	Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	20	ChEMBL_1854954 (CHEMBL4355683)	Inhibition of recombinant human HDAC7 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	21	ChEMBL_1854955 (CHEMBL4355684)	Inhibition of recombinant human HDAC8 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	22	ChEMBL_1854957 (CHEMBL4355686)	Inhibition of recombinant human HDAC11 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50007910	23	ChEMBL_1854972 (CHEMBL4355701)	Inhibition of human ERG expressed in HEK293 cells by manual-patch clamp assay
50007910	24	ChEMBL_1854940 (CHEMBL4355669)	Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 15 mins by fluorescence assay
50007910	25	ChEMBL_1854935 (CHEMBL4355664)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate by fluorescence assay
50007910	26	ChEMBL_1854965 (CHEMBL4355694)	Inhibition of HDAC1 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50007910	27	ChEMBL_1854998 (CHEMBL4355727)	Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells assessed as decrease in release of 7-amino-4-methoxycoumarin using fluorogenic HDAC as substrate measured after 30 mins by fluorescence based analysis
50007916	1	ChEMBL_1855026 (CHEMBL4355755)	Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA
50007916	2	ChEMBL_1855025 (CHEMBL4355754)	Inhibition of recombinant human OGA
50007916	3	ChEMBL_1855027 (CHEMBL4355756)	Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substrate measured every 60 sec for 45 mins by fluorescence spectrophotometry
50007916	4	ChEMBL_1855076 (CHEMBL4355805)	Activation of PXR (unknown origin) assessed as CYP3A4 induction
50007916	5	ChEMBL_1855070 (CHEMBL4355799)	Displacement of MK-0499 from human ERG
50007916	6	ChEMBL_1855071 (CHEMBL4355800)	Inhibition of Nav1.5 (unknown origin)
50007916	7	ChEMBL_1855072 (CHEMBL4355801)	Inhibition of Cav1.2 (unknown origin)
50007916	8	ChEMBL_1855073 (CHEMBL4355802)	Inhibition of CYP3A4 (unknown origin)
50007916	9	ChEMBL_1855074 (CHEMBL4355803)	Inhibition of CYP2D6 (unknown origin)
50007916	10	ChEMBL_1855075 (CHEMBL4355804)	Inhibition of CYP2C9 (unknown origin)
50007916	11	ChEMBL_1855018 (CHEMBL4355747)	Inhibition of human OGA assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as substrate incubated for 30 mins by fluorescence spectrophotometry
50007916	12	ChEMBL_1855019 (CHEMBL4355748)	Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as substrate incubated for 30 mins by fluorescence spectrophotometry
50007916	14	ChEMBL_1855020 (CHEMBL4355749)	Inhibition of recombinant human OGA expressed in Escherichia coli assessed as inhibitory constant using 4-MUGlcNAc as substrate incubated for 20 mins by fluorescence based assay
50007917	1	ChEMBL_1855107 (CHEMBL4355836)	Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta3 (27 to 718 residues) expressed in CHO cells preincubated for 15 mins followed by Cy3B-RGD probe addition and measured after 2 hrs by fluorescence polarization assay
50007917	2	ChEMBL_1855106 (CHEMBL4355835)	Inhibition of recombinant human integrin alphaV (31 to 992 residues) beta6 (22 to 707 residues) expressed in CHO cells preincubated for 15 mins followed by Cy3B-RGD probe addition and measured after 2 hrs by fluorescence polarization assay
50007918	1	ChEMBL_1855250 (CHEMBL4355979)	Inhibition of RNA-dependent RNA polymerase in Zika virus H/PAN/2016/BEI-259634 infected in human NSC assessed as antiviral activity measured 72 hrs post infection by CellTiter-Glo assay
50007918	2	ChEMBL_1855265 (CHEMBL4355994)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero E6 cells assessed as antiviral activity
50007918	3	ChEMBL_1855235 (CHEMBL4355964)	Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli BL21-Gold (DE3) cells preincubated for 10 mins followed by Bz-Nle-Lys-Lys-Arg-AMC substrate addition
50007918	4	ChEMBL_1855280 (CHEMBL4356009)	Inhibition of Zika virus NS2B (1421 to 1469 residues) - NS3 (1503 to 1688 residues) expressed in Escherichia coli BL21(DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate after 11 mins by FRET assay
50007918	5	ChEMBL_1855241 (CHEMBL4355970)	Inhibition of RNA-dependent RNA polymerase in Zika virus FSS13025/2010 infected in African green monkey Vero cells assessed as antiviral activity measured 48 hrs post infection by plaque assay
50007918	6	ChEMBL_1855245 (CHEMBL4355974)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-yield
50007918	7	ChEMBL_1855238 (CHEMBL4355967)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by methylene blue staining based by Plaque reduction assay
50007918	8	ChEMBL_1855333 (CHEMBL4356062)	Inhibition of RNA-dependent RNA polymerase in Zika virus infected in human NPC assessed as antiviral activity by DAPI-staining based assay
50007918	9	ChEMBL_1855249 (CHEMBL4355978)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC59/Human/2015/Puerto Rico infected in human NSC assessed as antiviral activity measured 72 hrs post infection by CellTiter-Glo assay
50007918	10	ChEMBL_1855252 (CHEMBL4355981)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	11	ChEMBL_1855253 (CHEMBL4355982)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in human HuH7 cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	12	ChEMBL_1855257 (CHEMBL4355986)	Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	13	ChEMBL_1855258 (CHEMBL4355987)	Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in human Huh-7 cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	14	ChEMBL_1855268 (CHEMBL4355997)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity after 72 hrs by DAPI staining based assay
50007918	15	ChEMBL_1855273 (CHEMBL4356002)	Binding affinity to Zika virus Methyltransferase
50007918	16	ChEMBL_1855248 (CHEMBL4355977)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in HEK293 cells assessed as antiviral activity by measuring NS1 protein expression preincubated for 1 hr followed by viral infection and measured after 24 hrs by TR-FRET assay
50007918	17	ChEMBL_1855269 (CHEMBL4355998)	Inhibition of Zika virus RNA-dependent RNA polymerase using poly(rC)/rG13 as substrate after 45 mins
50007918	18	ChEMBL_1855272 (CHEMBL4356001)	Inhibition of MTase in Zika virus infected in African green monkey Vero cells assessed as antiviral activity incubated for 5 days by inverted microscopic method
50007918	19	ChEMBL_1855274 (CHEMBL4356003)	Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using GpppAC4 as substrate in presence of [3H]SAM incubated for 30 mins by liquid scintillation counter method
50007918	20	ChEMBL_1855275 (CHEMBL4356004)	Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using A27 RNA as substrate in presence of [3H]SAM incubated for 30 mins by liquid scintillation counter method
50007918	21	ChEMBL_1855278 (CHEMBL4356007)	Inhibition of N-terminal His6-tagged Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli BL21-Gold (DE3) cells or Escherichia coli BL21 Rosetta (DE3) preincubated for 30 mins followed by Bz-nKRR-AM substrate addition measured over 10 mins at 60 secs interval by fluorescence method
50007918	22	ChEMBL_1855317 (CHEMBL4356046)	Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubated for 30 mins followed by Bz-nKRR-AMC substrate addition
50007918	23	ChEMBL_1855279 (CHEMBL4356008)	Inhibition of wild type Zika virus NS2B-NS3 protease preincubated for 30 mins followed by Pyr-RTKR-AMC substrate addition
50007918	24	ChEMBL_1855291 (CHEMBL4356020)	Inhibition of NS2B-NS3 protease in Zika virus Puerto Rico/PRVABC5 infected in human Huh7 cells assessed as antiviral activity measured 48 hrs post infection by RT-PCR method
50007918	25	ChEMBL_1855292 (CHEMBL4356021)	Inhibition of NS2B-NS3 protease in Zika virus Puerto Rico/PRVABC5 assessed as antiviral activity measured 48 hrs post infection by plaque reduction assay
50007918	26	ChEMBL_1855240 (CHEMBL4355969)	Inhibition of RNA-dependent RNA polymerase in Zika virus GZ01/2016 infected in African green monkey Vero cells assessed as antiviral activity measured 48 hrs post infection by plaque assay
50007918	27	ChEMBL_1855244 (CHEMBL4355973)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-induced cytopathic effect after 5 days by MTS assay
50007918	28	ChEMBL_1855239 (CHEMBL4355968)	Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by Alexa Fluor 488/DAPI staining based assay
50007918	29	ChEMBL_1855256 (CHEMBL4355985)	Inhibition of RNA-dependent RNA polymerase in Zika virus Malaysian P 6-740 infected in human Huh-7 cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	30	ChEMBL_1855259 (CHEMBL4355988)	Inhibition of RNA-dependent RNA polymerase in Zika virus Ugandan MR-766 infected in human RD cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	31	ChEMBL_1855276 (CHEMBL4356005)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC59 infected in African green monkey Vero cells assessed as antiviral activity measured 96 hrs post infection by plaque assay
50007918	32	ChEMBL_1855284 (CHEMBL4356013)	Inhibition of Dengue virus 2 NS2B (48 to 95 residues)-NS3 (1 to 185 residues) expressed in Escherichia coli BL21 Rosetta (DE3) incubated for 30 mins followed by Abz-RRRRSAG-nTyr substrate addition
50007918	33	ChEMBL_1855254 (CHEMBL4355983)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC-59 infected in human RD cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	34	ChEMBL_1855242 (CHEMBL4355971)	Inhibition of RNA-dependent RNA polymerase in Zika virus GZ01/2016 infected in African green monkey Vero cells assessed as antiviral activity by measuring viral RNA by RT-qPCR method
50007918	35	ChEMBL_1855255 (CHEMBL4355984)	Inhibition of RNA-dependent RNA polymerase in Zika virus Malaysian P 6-740 infected in African green monkey Vero cells assessed as antiviral activity by neutral dye based colorimetric method
50007918	36	ChEMBL_1855295 (CHEMBL4356024)	Inhibition of NS2B-NS3 protease in Zika virus Puerto Rico/PRVABC5 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-induced cytopathic effect preincubated with cells for 2 hrs followed by compound wash out and subsequent virus addition along with compound and measured after 6 days by inverted light microscopy
50007918	37	ChEMBL_1855243 (CHEMBL4355972)	Inhibition of RNA-dependent RNA polymerase in Zika virus FSS13025/2010 infected in African green monkey Vero cells assessed as antiviral activity by measuring viral RNA by RT-qPCR method
50007918	38	ChEMBL_1855332 (CHEMBL4356061)	Inhibition of RNA-dependent RNA polymerase in Zika virus infected in African green monkey Vero cells assessed as antiviral activity by DAPI-staining based assay
50007918	39	ChEMBL_1855262 (CHEMBL4355991)	Inhibition of RNA-dependent RNA polymerase in Zika virus PRVABC59 infected in African green monkey Vero cells infected with supernatants from virus-infected human SNB-19 cells treated with compound for 1 hr assessed as antiviral activity after 48 to 72 hrs
50007918	40	ChEMBL_1855290 (CHEMBL4356019)	Inhibition of NS2B-NS3 protease in Zika virus Puerto Rico/PRVABC5 infected in African green monkey Vero cells assessed as antiviral activity measured 48 hrs post infection by RT-PCR method
50007920	1	ChEMBL_1855350 (CHEMBL4356079)	Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by biomol green reagent based assay
50007920	2	ChEMBL_1855344 (CHEMBL4356073)	Inhibition of p97 in HEK293 cells co-expressing GFP and hemagglutinin assessed as reduction in p97-dependent ERAD pathway by immunoblotting analysis
50007920	3	ChEMBL_1855338 (CHEMBL4356067)	Inhibition of VPS4B (unknown origin) assessed as reduction in ATPase activity in presence of activating fragment of substrate CHMP1B
50007920	4	ChEMBL_1855352 (CHEMBL4356081)	Inhibition of p97 (unknown origin) by ADP-Glo assay
50007920	5	ChEMBL_1855349 (CHEMBL4356078)	Inhibition of GST-fused VCP (unknown origin) expressed in Escherichia coli BL21 star (DE3) pre-incubated for 60 mins before ATP addition and measured after 60 mins by kinase Glo-Plus reagent based assay
50007920	6	ChEMBL_1855347 (CHEMBL4356076)	Inhibition of p97 in human HeLa cells assessed as reduction in p97-dependent UbG76V-GFP degradation incubated for 1 hr by luciferase reporter gene assay
50007920	7	ChEMBL_1855346 (CHEMBL4356075)	Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity
50007920	8	ChEMBL_1855345 (CHEMBL4356074)	Inhibition of ClpX (unknown origin) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before ATP addition and measured up to 120 mins measured by malachite green assay
50007920	9	ChEMBL_1855343 (CHEMBL4356072)	Inhibition of p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before ATP addition and measured up to 120 mins measured by malachite green assay
50007920	10	ChEMBL_1855339 (CHEMBL4356068)	Binding affinity to p97 (unknown origin) by SPR assay
50007920	11	ChEMBL_1855353 (CHEMBL4356082)	Inhibition of VPS4B (unknown origin) by malachite green assay
50007920	12	ChEMBL_1855337 (CHEMBL4356066)	Inhibition of p97 (unknown origin) by malachite green assay
50007920	13	ChEMBL_1855335 (CHEMBL4356064)	Inhibition of human p97
50007920	14	ChEMBL_1855341 (CHEMBL4356070)	Inhibition of full length p97 (unknown origin) expressed in insect cells assessed as reduction in ATPase activity by NADH-coupled assay
50007920	15	ChEMBL_1855348 (CHEMBL4356077)	Binding affinity to GST-tagged p97 (unknown origin) by CD spectroscopy
50007921	1	ChEMBL_1855362 (CHEMBL4356091)	Inhibition of human PIK3CB by alphascreen assay
50007921	2	ChEMBL_1855359 (CHEMBL4356088)	Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha expressed in Baculovirus expression system
50007921	3	ChEMBL_1855357 (CHEMBL4356086)	Inhibition of JAK2 (unknown origin)
50007921	4	ChEMBL_1855356 (CHEMBL4356085)	Inhibition of JAK1 (unknown origin)
50007921	5	ChEMBL_1855366 (CHEMBL4356095)	Inhibition of BTK (unknown origin) after 60 mins by FRET assay
50007921	6	ChEMBL_1855364 (CHEMBL4356093)	Irreversible inhibition of HER2 (unknown origin)
50007921	7	ChEMBL_1855363 (CHEMBL4356092)	Irreversible inhibition of wild type EGFR (unknown origin)
50007921	8	ChEMBL_1855361 (CHEMBL4356090)	Inhibition of His-tagged recombinant human PIK3CG expressed in Baculovirus expression system
50007921	9	ChEMBL_1855360 (CHEMBL4356089)	Inhibition of His-tagged recombinant human PIK3CA/PIK3R1 expressed in Baculovirus expression system
50007921	10	ChEMBL_1855355 (CHEMBL4356084)	Inhibition of His-tagged recombinant human PIK3CB
50007921	11	ChEMBL_1855358 (CHEMBL4356087)	Inhibition of JAK3 (unknown origin)
50007923	1	ChEMBL_1855371 (CHEMBL4356100)	Inhibition of HIF1alpha transcriptional activity in hypoxia-induced human HCCLM3 cells co-transfected with luciferase reporter plasmid containing five copies of HREs and pRL-SV40 plasmid encoding Renilla luciferase incubated with compound under normoxia for 1 hr followed by hypoxia induction and measured after 24 hrs by HRE-dependent dual luciferase reporter gene assay
50007926	1	ChEMBL_1855394 (CHEMBL4356123)	Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed as reduction in conversion of L-tryptophan to N-formyl kynurenine using L-tryptophan as substrate after 30 mins by methylene blue dye based microplate reader analysis
50007926	2	ChEMBL_1855395 (CHEMBL4356124)	Inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in conversion of L-tryptophan to N-formyl kynurenine using L-tryptophan as substrate after 30 mins by methylene blue dye based microplate reader analysis
50007926	3	ChEMBL_1855396 (CHEMBL4356125)	Inhibition of recombinant human TDO expressed in Escherichia coli BL21 (DE3) assessed as reduction in conversion of L-tryptophan to N-formyl kynurenine using L-tryptophan as substrate after 30 mins by methylene blue assay
50007926	4	ChEMBL_1855397 (CHEMBL4356126)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production incubated for 18 hrs
50007926	5	ChEMBL_1855400 (CHEMBL4356129)	Competitive inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed as apparent inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	6	ChEMBL_1855401 (CHEMBL4356130)	Uncompetitive inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	7	ChEMBL_1855404 (CHEMBL4356133)	Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	8	ChEMBL_1855398 (CHEMBL4356127)	Inhibition of human IDO2 transfected in human U87MG cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated with for 6 hrs
50007926	9	ChEMBL_1855399 (CHEMBL4356128)	Inhibition of human TDO transfected in HEK293 cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 12 hrs
50007926	10	ChEMBL_1855406 (CHEMBL4356135)	Uncompetitive inhibition of recombinant human TDO expressed in Escherichia coli BL21 (DE3) assessed as assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	11	ChEMBL_1855402 (CHEMBL4356131)	Noncompetitive inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 cells assessed inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	12	ChEMBL_1855405 (CHEMBL4356134)	Mixed uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	13	ChEMBL_1855407 (CHEMBL4356136)	Mixed uncompetitive inhibition of recombinant human TDO expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	14	ChEMBL_1855408 (CHEMBL4356137)	Noncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	15	ChEMBL_1855445 (CHEMBL4356174)	Inhibition of N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in conversion of D-tryptophan to N-formyl kynurenine by methylene blue dye assay
50007926	16	ChEMBL_1855446 (CHEMBL4356175)	Inhibition of IFN-gamma stimulated IDO1 in human HeLa cells assessed as reduction in formation of kynurenine incubated for 48 hrs in presence of IFNgamma by microplate reader assay
50007926	18	ChEMBL_1855403 (CHEMBL4356132)	Mixed competitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using varying concentration of L-tryptophan as substrate by Dixon plot analysis
50007926	19	ChEMBL_1855447 (CHEMBL4356176)	Inhibition of IDO1 (unknown origin)
50007926	20	ChEMBL_1855449 (CHEMBL4356178)	Inhibition of human recombinant pEF6/V5-His-tagged TDO2 transfected in HEK293-EBNA cells using L-tryptophan as substrate by HPLC analysis
50007926	21	ChEMBL_1855450 (CHEMBL4356179)	Inhibition of recombinant human IDO1 expressed in HEK293 cells assessed as reduction in kynurenine formation after 5 hrs by microplate reader analysis
50007927	1	ChEMBL_1855509 (CHEMBL4356238)	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50007927	2	ChEMBL_1855452 (CHEMBL4356181)	Positive allosteric modulator activity at human GLP-1R expressed in PSC-HEK293 cells in presence of EC20 level of GLP1(9-36)NH2 incubated for 30 mins by HTRF cAMP assay
50007927	3	ChEMBL_1855454 (CHEMBL4356183)	Positive allosteric modulator activity at GLP-1R in human 1.1B4 cells in presence of EC20 level of GLP1(9-36)NH2 incubated for 30 mins by HTRF cAMP assay
50007927	4	ChEMBL_1855467 (CHEMBL4356196)	Positive allosteric modulator activity at mouse GLP-1R expressed in PSC-HEK293 cells in presence of EC20 level of GLP1(9-36)NH2 incubated for 30 mins by HTRF cAMP assay
50007927	5	ChEMBL_1855511 (CHEMBL4356240)	Inhibition of human ERG by patch clamp assay
50007927	6	ChEMBL_1855510 (CHEMBL4356239)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50007930	1	ChEMBL_1855570 (CHEMBL4356299)	Inhibition of recombinant human AChE assessed as inhibition constant for enzyme-substrate-inhbitor complex using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by spectrophotometry based Lineweaver-Burk plot analysis
50007930	2	ChEMBL_1855533 (CHEMBL4356262)	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by spectrophotometry based Ellman's method
50007930	3	ChEMBL_1855547 (CHEMBL4356276)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in human HEK cells by radioligand binding assay
50007930	4	ChEMBL_1855541 (CHEMBL4356270)	Binding affinity in human CB2R expressed in human HEK cells incubated for 3 hrs by microbeta scintillation counting
50007930	5	ChEMBL_1855535 (CHEMBL4356264)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by spectrophotometry based Ellman's method
50007930	6	ChEMBL_1855540 (CHEMBL4356269)	Inhibition of human BChE
50007930	7	ChEMBL_1855539 (CHEMBL4356268)	Inhibition of human AChE
50007930	8	ChEMBL_1855544 (CHEMBL4356273)	Inhibition of recombinant human AChE assessed as inhibition constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by spectrophotometry based Lineweaver-Burk plot analysis
50007930	9	ChEMBL_1855555 (CHEMBL4356284)	Agonist activity at human CB2R expressed in CHO-K1 cells assessed as increase in intracellular calcium mobilization by calcein4-AM dye based fluorescence assay
50007930	10	ChEMBL_1855548 (CHEMBL4356277)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells by radioligand binding assay
50007931	1	ChEMBL_1855590 (CHEMBL4356319)	Inhibition of human factor 11a preincubated for 15 mins followed by Boc-Glu (OBzl) -Ala-Arg-AMC and measured after 30 mins by fluorescence method
50007931	2	ChEMBL_1855589 (CHEMBL4356318)	Inhibition of human plasmin preincubated for 15 mins followed by MeOSuc-Ala-Phe-Lys-AMC substrate addition and measured after 30 mins by fluorescence method
50007931	3	ChEMBL_1855598 (CHEMBL4356327)	Inhibition of tissue-type plasminogen activator (unknown origin)
50007931	4	ChEMBL_1855626 (CHEMBL4356355)	Inhibition of human plasmin using S-2251 as substrate after 30 mins by spectrophotometric method
50007931	5	ChEMBL_1855582 (CHEMBL4356311)	Inhibition of plasmin (unknown origin) assessed as reduction in amidolytic activity
50007931	6	ChEMBL_1855616 (CHEMBL4356345)	Inhibition of human plasma kallikrein using S2302 as substrate
50007931	7	ChEMBL_1855631 (CHEMBL4356360)	Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins
50007931	8	ChEMBL_1855595 (CHEMBL4356324)	Inhibition of human plasmin assessed as reduction in proteolysis activity in presence of fibrinogen after 90 mins by SDS-PAGE analysis
50007931	9	ChEMBL_1855627 (CHEMBL4356356)	Inhibition of human plasmin assessed as reduction in hydrolytic activity using TAME as substrate after 5 mins by spectrophotometric method
50007931	10	ChEMBL_1855628 (CHEMBL4356357)	Competitive inhibition of human plasmin assessed as reduction in hydrolytic activity using S-2251 as substrate by spectrophotometric method
50007931	11	ChEMBL_1855629 (CHEMBL4356358)	Direct inhibition of human plasmin preincubated for 10 mins followed by spectrozyme PL addition
50007931	12	ChEMBL_1855634 (CHEMBL4356363)	Direct inhibition of human Lys-plasmin preincubated for 5 mins followed by Spectrozyme PL addition by spectrophotometric method
50007931	13	ChEMBL_1855635 (CHEMBL4356364)	Inhibition of thrombin (unknown origin) assessed as reduction in hydrolysis activity preincubated for 10 mins followed by spectrozyme TH
50007931	14	ChEMBL_1855633 (CHEMBL4356362)	Inhibition of human factor 10a (unknown origin) assessed as reduction in hydrolysis activity preincubated for 10 mins followed by spectrozyme FXa
50007931	15	ChEMBL_1855632 (CHEMBL4356361)	Inhibition of human plasmin assessed as reduction in plasmin-mediated thrombin/factor 13a-induced clot fibrinolysis measured over 50 to 200 min by UV absorbance method
50007931	16	ChEMBL_1855586 (CHEMBL4356315)	Inhibition of plasmin (unknown origin) assessed as reduction in amidolytic activity using S-2251 as the substrate after 4 mins
50007931	17	ChEMBL_1855599 (CHEMBL4356328)	Inhibition of urokinase-type plasminogen activator (unknown origin)
50007931	18	ChEMBL_1855601 (CHEMBL4356330)	Inhibition of thrombin (unknown origin)
50007931	19	ChEMBL_1855576 (CHEMBL4356305)	Binding affinity to plasminogen K1 domain (unknown origin)
50007931	20	ChEMBL_1855583 (CHEMBL4356312)	Inhibition of human urokinase-type plasminogen activator using S-2444 as substrate
50007931	21	ChEMBL_1855587 (CHEMBL4356316)	Inhibition of human plasmin assessed as reduction in fibrinolysis
50007931	22	ChEMBL_1855588 (CHEMBL4356317)	Inhibition of microplasmin (unknown origin) expressed in Pichia pastoris preincubated for 10 mins followed by S2251 substrate addition
50007931	23	ChEMBL_1855602 (CHEMBL4356331)	Inhibition of human plasma kallikrein preincubated for 15 mins followed by H-Pro-Phe-Arg-AMC substrate addition and measured after 30 mins by fluorescence method
50007931	24	ChEMBL_1855591 (CHEMBL4356320)	Inhibition of plasmin (unknown origin) using D-Val-Leu-Lys-pNA as substrate
50007931	25	ChEMBL_1855594 (CHEMBL4356323)	Inhibition of human plasmin assessed as reduction in hydrolytic activity using S2251 as substrate
50007931	26	ChEMBL_1855600 (CHEMBL4356329)	Inhibition of plasmin (unknown origin)
50007931	27	ChEMBL_1855603 (CHEMBL4356332)	Inhibition of human plasmin by Michaelis-menten analysis
50007931	28	ChEMBL_1855604 (CHEMBL4356333)	Inhibition of human plasma kallikrein by Michaelis-menten analysis
50007931	29	ChEMBL_1855611 (CHEMBL4356340)	Inhibition of human factor 11a
50007931	30	ChEMBL_1855612 (CHEMBL4356341)	Inhibition of activated protein kinase C (unknown origin)
50007931	31	ChEMBL_1855608 (CHEMBL4356337)	Inhibition of human plasmin using tosyl-Gly-Pro-Lys-pNA as substrate after 10 mins by UV/Vis photometry
50007931	32	ChEMBL_1855609 (CHEMBL4356338)	Inhibition of human plasma kallikrein using S2302 as substrate after 10 mins by UV/Vis photometry
50007931	33	ChEMBL_1855615 (CHEMBL4356344)	Inhibition of human plasmin using tosyl-Gly-Pro-Lys-pNA as substrate
50007931	34	ChEMBL_1855617 (CHEMBL4356346)	Inhibition of human activated protein kinase C using H-D-Lys(Cbo)-Pro-Arg-pNA as substrate
50007931	35	ChEMBL_1855619 (CHEMBL4356348)	Inhibition of human Complement C1s subcomponent using Val-Ser-Arg-pNA as substrate
50007931	36	ChEMBL_1855622 (CHEMBL4356351)	Inhibition of human factor 10a using MeOCO-d-Cha-Gly-Arg-pNA as substrate
50007931	37	ChEMBL_1855623 (CHEMBL4356352)	Inhibition of human factor 11a using H-D-Lys(Cbo)-Pro-Arg-pNA as substrate
50007931	38	ChEMBL_1855625 (CHEMBL4356354)	Inhibition of human tissue-type plasminogen activator using Mes-d-Cha- Gly-Arg-pNA as substrate
50007931	39	ChEMBL_1855620 (CHEMBL4356349)	Inhibition of human Complement C1r subcomponent using Val-Ser-Arg-pNA as substrate
50007931	40	ChEMBL_1855621 (CHEMBL4356350)	Inhibition of human factor 2a using Mes-d-Cha-Gly-Arg-pNA as substrate
50007931	41	ChEMBL_1855607 (CHEMBL4356336)	Inhibition of human plasmin
50007931	42	ChEMBL_1855630 (CHEMBL4356359)	Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition
50007931	43	ChEMBL_1855592 (CHEMBL4356321)	Inhibition of plasmin (unknown origin) using D-Val-Leu-Lys-p-nitroanilide as substrate
50007931	44	ChEMBL_1855610 (CHEMBL4356339)	Inhibition of human factor 10a
50007931	45	ChEMBL_1855575 (CHEMBL4356304)	Binding affinity to human plasminogen K1 domain by ultrafiltration technique
50007931	46	ChEMBL_1855624 (CHEMBL4356353)	Inhibition of human factor 12a using CHA-Gly-Arg- pNA as substrate
50007931	47	ChEMBL_1855585 (CHEMBL4356314)	Inhibition of human plasmin assessed as km using S-2251 as the substrate
50007932	1	ChEMBL_1855643 (CHEMBL4356372)	Inhibition of immunoproteasome subunit LMP7 in human OPM1 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	2	ChEMBL_1855638 (CHEMBL4356367)	Inhibition of immunoproteasome subunit LMP7 in human MM.1S cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	3	ChEMBL_1855637 (CHEMBL4356366)	Inhibition of immunoproteasome subunit LMP7 in human RPMI8226 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	4	ChEMBL_1855640 (CHEMBL4356369)	Inhibition of immunoproteasome subunit LMP7 in human LR5 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	5	ChEMBL_1855641 (CHEMBL4356370)	Inhibition of immunoproteasome subunit LMP7 in human DOX40 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	6	ChEMBL_1855642 (CHEMBL4356371)	Inhibition of immunoproteasome subunit LMP7 in human INA60 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	7	ChEMBL_1855636 (CHEMBL4356365)	Inhibition of immunoproteasome subunit LMP7 in human MM.1R cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	8	ChEMBL_1855639 (CHEMBL4356368)	Inhibition of immunoproteasome subunit LMP7 in human KMS12PE cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007932	9	ChEMBL_1855644 (CHEMBL4356373)	Inhibition of immunoproteasome subunit OPM2 in human OPM1 cells assessed as reduction in cell viability incubated for 48 hrs by MTT assay
50007933	1	ChEMBL_1855645 (CHEMBL4356374)	Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis
50007933	2	ChEMBL_1855675 (CHEMBL4356404)	Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells incubated for 40 min by liquid scintillation counting analysis
50007933	3	ChEMBL_1855646 (CHEMBL4356375)	Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with forskolin for 6 hrs and measured after 30 mins by CRE-luciferase reporter gene assay
50007933	4	ChEMBL_1855649 (CHEMBL4356378)	Agonist activity at human H3R expressed on HEK293T cells by [35S]GTPgammaS binding assay
50007933	5	ChEMBL_1855651 (CHEMBL4356380)	Displacement of [3H]NAMH from human H4R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis
50007933	6	ChEMBL_1855659 (CHEMBL4356388)	Displacement of [3H]histamine from mouse H4R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis
50007933	7	ChEMBL_1855661 (CHEMBL4356390)	Agonist activity at mouse H4R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with forskolin for 6 hrs and measured after 30 mins by luciferase reporter gene assay
50007933	8	ChEMBL_1855670 (CHEMBL4356399)	Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50007933	9	ChEMBL_1855676 (CHEMBL4356405)	Agonist activity at human H3R expressed on SK-N-MC cells assessed as inhibition of forskolin-induced beta galactosidase activity preincubated with forskolin for 6 hrs followed compound addition by CRE-luciferase reporter gene assay
50007933	10	ChEMBL_1855660 (CHEMBL4356389)	Agonist activity at mouse H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with forskolin for 6 hrs and measured after 30 mins by luciferase reporter gene assay
50007933	11	ChEMBL_1855669 (CHEMBL4356398)	Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50007933	12	ChEMBL_1855668 (CHEMBL4356397)	Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50007933	13	ChEMBL_1855679 (CHEMBL4356408)	Agonist activity at recombinant human H3R expressed on cells incubated for 60 mins by [35S]GTPgammaS binding assay
50007933	14	ChEMBL_1855658 (CHEMBL4356387)	Displacement of [3H]NAMH from mouse H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis
50007933	15	ChEMBL_1855678 (CHEMBL4356407)	Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells incubated for 40 min by liquid scintillation counting analysis
50007933	16	ChEMBL_1855652 (CHEMBL4356381)	Agonist activity at human H4R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with forskolin for 6 hrs and measured after 30 mins by CRE-luciferase reporter gene assay
50007936	1	ChEMBL_1855687 (CHEMBL4356416)	Inhibition of USP4 in human U2OS using Ub-TAMRA substrate by Ub-Rhodamine fluorescent intensity assay
50007936	2	ChEMBL_1855688 (CHEMBL4356417)	Inhibition of USP7 in human U2OS using Ub-TAMRA substrate by Ub-Rhodamine fluorescent intensity assay
50007936	3	ChEMBL_1855690 (CHEMBL4356419)	Inhibition of CSN5 (unknown origin) using fluorescence-labeled CRL substrate by TR-FRET assay
50007936	4	ChEMBL_1855692 (CHEMBL4356421)	Inhibition of recombinant USP7 (unknown origin) by mass spectrometry based activity assay
50007936	5	ChEMBL_1855683 (CHEMBL4356412)	Inhibition of full-length human USP14 using Ub-AMC substrate
50007936	6	ChEMBL_1855684 (CHEMBL4356413)	Inhibition of USP2 (unknown origin) using Ub-AMC substrate
50007936	7	ChEMBL_1855689 (CHEMBL4356418)	Inhibition of human STAMBP expressed in Sf21 cells pre-incubated for 20 mins before Ubiquitinated NALP7 substrate addition and measured after 1 hr by immunoblotting analysis
50007936	8	ChEMBL_1855693 (CHEMBL4356422)	Inhibition of USP7 (unknown origin) using Ub-Rh110 substrate
50007936	9	ChEMBL_1855686 (CHEMBL4356415)	Inhibition of USP7 C-terminal domain (unknown origin) (208 to 1102 residues) expressed in Sf9 cells using monoubiquitinated ubiquitin-rhodamine substrate
50007936	10	ChEMBL_1855680 (CHEMBL4356409)	Competitive inhibition of UCHL1 in human H1299 cells using Ub-AMC substrate
50007936	11	ChEMBL_1855691 (CHEMBL4356420)	Inhibition of USP28 (unknown origin)
50007936	12	ChEMBL_1855685 (CHEMBL4356414)	Inhibition of human full-length USP7 (1 to 1102 amino acids) expressed in Escherichia coli BL21(DE3) incubated 30 mins by Ubiquitin-AMC assay
50007937	1	ChEMBL_1855694 (CHEMBL4356423)	Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP assay
50007937	2	ChEMBL_1855695 (CHEMBL4356424)	Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in R848-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP assay
50007937	3	ChEMBL_1855699 (CHEMBL4356428)	Inhibition of human TLR7 expressed in HEK293 cells assessed as reduction in resiquimod-induced NFkappaB production at 1.5 to 5 uM incubated for 16 hrs by quanti-blue SEAP assay
50007937	4	ChEMBL_1855721 (CHEMBL4356450)	Binding affinity to human TLR8 (27 to 827 residues) expressed in HEK293 cells in presence of R848 by ITC analysis
50007937	5	ChEMBL_1855720 (CHEMBL4356449)	Inhibition of human TLR8 expressed in HEK293 cells assessed as reduction in ssRNA-induced NFkappaB production incubated for 16 hrs by quanti-blue SEAP assay
50007938	1	ChEMBL_1855759 (CHEMBL4356488)	Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation constant by ESR analysis (Rvb = 36.5 +/- 3.6 uM)
50007938	2	ChEMBL_1855736 (CHEMBL4356465)	Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 3 uM after 48 hrs by MTT assay (Rvb = 2120 nM)
50007938	3	ChEMBL_1855745 (CHEMBL4356474)	Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 48 hrs by MTT assay (Rvb = 2120 nM)
50007938	4	ChEMBL_1855746 (CHEMBL4356475)	Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 7 uM after 48 hrs by MTT assay (Rvb = 2120 nM)
50007938	5	ChEMBL_1855747 (CHEMBL4356476)	Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 48 hrs by MTT assay (Rvb = 2120 nM)
50007940	1	ChEMBL_1855767 (CHEMBL4356496)	Inhibition of recombinant rat MGL C201A/C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by LC-MS analysis
50007940	2	ChEMBL_1855763 (CHEMBL4356492)	Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by LC-MS analysis
50007940	3	ChEMBL_1855766 (CHEMBL4356495)	Inhibition of recombinant rat MGL C208A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by LC-MS analysis
50007940	4	ChEMBL_1855765 (CHEMBL4356494)	Inhibition of recombinant rat MGL C201A mutant expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by LC-MS analysis
50007940	5	ChEMBL_1855806 (CHEMBL4356535)	Inhibition of FAAH in rat brain homogenates using [3H]anandamide as substrate measured after 30 mins by liquid scintillation counting method
50007940	6	ChEMBL_1855805 (CHEMBL4356534)	Inhibition of mouse ABHD6 expressed in HEK293 cells using 2-AG as substrate
50007941	1	ChEMBL_1855821 (CHEMBL4356550)	Inhibition of recombinant wild type HIV1 reverse transcriptase p66/p51 incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50007942	1	ChEMBL_1855858 (CHEMBL4356587)	Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incubated for 60 mins in presence of 5 nM biotin-Bim by HTRF assay
50007942	2	ChEMBL_1855857 (CHEMBL4356586)	Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incubated for 60 mins in presence of 0.05 nM biotin-Bim by HTRF assay
50007942	3	ChEMBL_1855916 (CHEMBL4356645)	Inhibition of recombinant C-terminal His10x-tagged human Bcl-2 (2 to 211 residues) expressed in Escherichia coli cells interaction with biotinylated human Bim (51 to 76 residues) incubated for 60 mins by HTRF assay
50007942	4	ChEMBL_1855917 (CHEMBL4356646)	Inhibition of recombinant C-terminal His6x-tagged human Bcl-xL (1 to 196 residues) expressed in Escherichia coli cells interaction with biotinylated human Bim (51 to 76 residues) incubated for 60 mins by HTRF assay
50007943	1	ChEMBL_1855918 (CHEMBL4356647)	Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method
50007943	2	ChEMBL_1855928 (CHEMBL4356657)	Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in channel current at -80 mV holding potential by whole cell patch clamp assay
50007943	3	ChEMBL_1855920 (CHEMBL4356649)	Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay
50007943	4	ChEMBL_1855924 (CHEMBL4356653)	Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor expressed in HEK293 membranes incubated for 120 mins by liquid scintillation counting method
50007943	5	ChEMBL_1855931 (CHEMBL4356660)	Displacement of [3H]-prazosin from human alpha1A adrenoreceptor expressed in enriched membranes incubated for 90 mins by liquid scintillation counting method
50007943	6	ChEMBL_1855932 (CHEMBL4356661)	Inhibition of 5HT2B receptor (unknown origin)
50007944	1	ChEMBL_1855954 (CHEMBL4356683)	Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay
50007944	2	ChEMBL_1855957 (CHEMBL4356686)	Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control
50007945	1	ChEMBL_1856001 (CHEMBL4356730)	Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by fluorescence polarization assay
50007945	2	ChEMBL_1856003 (CHEMBL4356732)	Binding affinity to STAT3 (unknown origin)
50007945	3	ChEMBL_1856063 (CHEMBL4356792)	Binding affinity to recombinant human His/SUMO-tagged STAT1 (132 to 713 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by fluorescence polarization assay
50007945	4	ChEMBL_1856064 (CHEMBL4356793)	Binding affinity to recombinant human His/SUMO-tagged STAT4 (133 to 705 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by fluorescence polarization assay
50007946	1	ChEMBL_1856270 (CHEMBL4356999)	Positive allosteric modulatory activity against alpha7 nAChR in human IMR-32 cells assessed as potentiation of PNU-282987-induced Ca2+ efflux at by FLIPR assay
50007948	1	ChEMBL_1856383 (CHEMBL4357112)	Inhibition of human SGLT2 expressed in Xenopus oocytes assessed as reduction in [14C]AMG uptake after 1 hr by liquid scintillation counting method
50007948	2	ChEMBL_1856371 (CHEMBL4357100)	Inhibition of EAAT2 (unknown origin) transiently expressed in COS1 cells by [14C]glutamate based uptake assay
50007948	3	ChEMBL_1856372 (CHEMBL4357101)	Inhibition of EAAT3 (unknown origin) transiently expressed in COS1 cells by [14C]glutamate based uptake assay
50007948	4	ChEMBL_1856377 (CHEMBL4357106)	Inhibition of EAAT1 (unknown origin) stably expressed in HEK293 cells assessed as reduction in [14C]glutamate uptake incubated for 5 mins by microbeta scintillation counting method
50007948	5	ChEMBL_1856379 (CHEMBL4357108)	Inhibition of human GlyT1 expressed in QT6 cells assessed as reduction in [14C]glycine uptake incubated for 20 mins by liquid scintillation counting method
50007948	6	ChEMBL_1856381 (CHEMBL4357110)	Inhibition of human GlyT2 stably expressed in CHO cells assessed as reduction in [3H]glycine uptake incubated for 10 mins by liquid scintillation counting method
50007948	7	ChEMBL_1856378 (CHEMBL4357107)	Inhibition of human GLUT1 expressed in DLD1 cells assessed as glucose uptake by measuring ATP incubated for 15 mins by CellTiter-Glo Luminescent Cell Viability Assay
50007948	8	ChEMBL_1856375 (CHEMBL4357104)	Inhibition of human URAT1 expressed in Xenopus oocytes by [14C]urate uptake assay
50007948	9	ChEMBL_1856374 (CHEMBL4357103)	Inhibition of human OAT4 expressed in HEK293 cells by assessed as [14C]urate uptake preincubated for 5 mins followed by [14C]urate addition and measured after 10 mins by liquid scintillation counting method
50007948	10	ChEMBL_1856382 (CHEMBL4357111)	Inhibition of [3H]-DHTBZ binding to VMAT2 from rat forebrain membranes
50007948	11	ChEMBL_1856376 (CHEMBL4357105)	Inhibition of human URAT1 expressed in HEK293T cells by assessed as [14C]urate uptake preincubated for 5 mins followed by [14C]urate addition and measured after 10 mins by liquid scintillation counting method
50007948	12	ChEMBL_1856380 (CHEMBL4357109)	Inhibition of GlyT1B (unknown origin)
50007948	13	ChEMBL_1856370 (CHEMBL4357099)	Inhibition of EAAT1 (unknown origin) transiently expressed in COS1 cells by [14C]glutamate based uptake assay
50007949	1	ChEMBL_1856394 (CHEMBL4357123)	Displacement of tetra-acetylated histone H4 peptide (1-21) from recombinant human N-terminal His-tagged BRD4 BD1 (44 to 170 residues) expressed in Escherichia coli incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	2	ChEMBL_1856395 (CHEMBL4357124)	Displacement of tetra-acetylated histone H4 peptide (1-21) from recombinant human N-terminal His-tagged BRD4 BD2 (349 to 460 residues) expressed in Escherichia coli incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	3	ChEMBL_1856402 (CHEMBL4357131)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRDT BD1 (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	4	ChEMBL_1856386 (CHEMBL4357115)	Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD2 expressed in bacterial expression system by alphascreen assay
50007949	5	ChEMBL_1856400 (CHEMBL4357129)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD2 BD1 (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	6	ChEMBL_1856403 (CHEMBL4357132)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD2 BD2 (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	7	ChEMBL_1856404 (CHEMBL4357133)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD3 BD2 (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	8	ChEMBL_1856414 (CHEMBL4357143)	Binding affinity to immobilized DNA-tagged human BRD4 BD1 by BROMOscan analysis
50007949	9	ChEMBL_1856452 (CHEMBL4357181)	Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD1 incubated for 2 hrs by TR-FRET assay
50007949	10	ChEMBL_1856453 (CHEMBL4357182)	Displacement of tetra-acetylated histone H4 peptide from recombinant human N-terminal His-tagged BRD4 BD2 incubated for 2 hrs by TR-FRET assay
50007949	11	ChEMBL_1856405 (CHEMBL4357134)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRPF1b (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	12	ChEMBL_1856387 (CHEMBL4357116)	Displacement of tetra-acetylated histone H4 peptide from recombinant human His-tagged BRD3 BD1 expressed in bacterial expression system by alphascreen assay
50007949	13	ChEMBL_1856401 (CHEMBL4357130)	Displacement of tetra-acetylated histone H4 peptide (1-21) from BRD3 BD1 (unknown origin) incubated for 30 mins followed by further incubation with tetra-acetylated histone H4 peptide (1-21) for 30 mins by Alphascreen assay
50007949	14	ChEMBL_1856448 (CHEMBL4357177)	Binding affinity to immobilized DNA-tagged human BRD4 BD2 by BROMOscan analysis
50007950	1	ChEMBL_1856476 (CHEMBL4357205)	Inhibition of human 20S proteasome using Suc-LLVY-AMC as substrate measured every 5 mins for 120 mins by fluorescence based assay
50007951	1	ChEMBL_1856530 (CHEMBL4357259)	Inhibition of KRAS in human MIAPaca2 cells assessed as decrease in EGF-stimulated ERK1/2 phosphorylation preincubated for 2 hrs followed by EGF stimulation
50007951	2	ChEMBL_1856529 (CHEMBL4357258)	Inhibition of GDP bound recombinant human His-tagged KRAS G12C/C118A mutant (1 to 169 residues) assessed as reduction in SOS1-mediated GDP/GTP nucleotide exchange by measuring the disruption between GDP-bound recombinant His-tagged KRAS G12C/C118A (1 to 169 residues) and Ras binding domain of GST-tagged c-RAF (1 to 149 residues) preincubated for 5 mins followed by SOS1 and GTP addition and further incubated for 30 mins by AlphaLISA assay
50007956	1	ChEMBL_1856593 (CHEMBL4357322)	Inhibition of COX2 human HCA7 cells
50007956	2	ChEMBL_1856572 (CHEMBL4357301)	Inhibition human FA10a using Boc-LeuGly-Arg-AMC fluorogenic substrate
50007956	3	ChEMBL_1856575 (CHEMBL4357304)	Binding affinity to MBP-tagged recombinant STAT5b-SH2 domain (unknown origin) using carboxyfluoresceine-labeled phosphotyrosine octapeptide incubated for 12 hrs by fluorescence polarization assay
50007956	4	ChEMBL_1856571 (CHEMBL4357300)	Inhibition of Photinus pyralis luciferase using ATP and D-luciferin in presence of Coenzyme A and DL-cysteine by luminescence based assay
50007956	5	ChEMBL_1856581 (CHEMBL4357310)	Binding affinity to bovine carbonic anhydrase 2
50007956	6	ChEMBL_1856590 (CHEMBL4357319)	Inhibition of human recombinant IDE pre-incubated for 10 mins before Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp substrate addition and measured after 30 mins by fluorescence based assay
50007956	7	ChEMBL_1856592 (CHEMBL4357321)	Inhibition of human COX2
50007956	8	ChEMBL_1856596 (CHEMBL4357325)	Inhibition of STAT5b in mouse BaF3/FLT3-ITD cells assessed as reduction in cell proliferation
50007956	9	ChEMBL_1856600 (CHEMBL4357329)	Binding affinity to human COX2
50007956	10	ChEMBL_1856573 (CHEMBL4357302)	Inhibition of Listeria monocytogenes NAD kinase assessed as suppression of reduced NADP formation by yeast glucose-6-phosphate dehydrogenase coupled assay
50007956	11	ChEMBL_1856580 (CHEMBL4357309)	Binding affinity to Staphylococcus aureus biotin protein ligase
50007956	12	ChEMBL_1856574 (CHEMBL4357303)	Inhibition of thrombin (unknown origin)
50007956	13	ChEMBL_1856576 (CHEMBL4357305)	Inhibition of Cryphonectria parasitica Endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 substrate by fluorescence screening assay
50007957	1	ChEMBL_1856687 (CHEMBL4357416)	Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by incubated at 25 degreeC spectrophotometry
50007957	2	ChEMBL_1856603 (CHEMBL4357332)	Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry
50007957	3	ChEMBL_1856664 (CHEMBL4357393)	Inhibition of activated human coagulation factor IX using 7-amino-4-methylcoumarin as substrate by spectrofluorimetry
50007957	4	ChEMBL_1856673 (CHEMBL4357402)	Inhibition of activated human urokinase using pyro-Glu-Gly-Arg-pNA as substrate by spectrophotometry
50007957	5	ChEMBL_1856665 (CHEMBL4357394)	Inhibition of activated human coagulation factor X using N-benzoyl-Ile-Glu-OH-OMe-Gly-Arg-pNA as substrate by spectrophotometry
50007957	6	ChEMBL_1856666 (CHEMBL4357395)	Inhibition of activated human coagulation factor XII using H-(D)-CHT-Gly-Arg-pNA as substrate by spectrophotometry
50007957	7	ChEMBL_1856668 (CHEMBL4357397)	Inhibition of human trypsin using N-benzoyl-Ile-Glu-OH-OMe-Gly-Arg-pNA as substrate by spectrophotometry
50007957	8	ChEMBL_1856670 (CHEMBL4357399)	Inhibition of activated human protein C using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry
50007957	9	ChEMBL_1856663 (CHEMBL4357392)	Inhibition of activated human coagulation factor VII using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometry
50007957	10	ChEMBL_1856669 (CHEMBL4357398)	Inhibition of human kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate by spectrophotometry
50007957	11	ChEMBL_1856667 (CHEMBL4357396)	Inhibition of human alpha-thrombin using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry
50007957	12	ChEMBL_1856671 (CHEMBL4357400)	Inhibition of human plasmin using H-(D)-Val-Leu-Lys-pNA as substrate by spectrophotometry
50007957	13	ChEMBL_1856672 (CHEMBL4357401)	Inhibition of activated human tPA using methylsulfonyl-D-cyclohexylalanyl-Gly-Arg-pNA as substrate by spectrophotometry
50007959	1	ChEMBL_1856689 (CHEMBL4357418)	Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 (45 to 166 residues) incubated for 30 mins by microscale thermophoresis assay
50007959	2	ChEMBL_1856690 (CHEMBL4357419)	Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 Q124A mutant incubated for 30 mins by microscale thermophoresis assay
50007959	3	ChEMBL_1856692 (CHEMBL4357421)	Binding affinity to NT-495 fluorophore reagent labelled human BK beta4 E104K mutant incubated for 30 mins by microscale thermophoresis assay
50007959	4	ChEMBL_1856724 (CHEMBL4357453)	Inhibition of human BK alpha/beta4 channel expressed in HEK293T cells assessed as inhibition of K+ outward current fraction at -80 mV holding potential by whole cell patch clamp technique
50007961	1	ChEMBL_1856734 (CHEMBL4357463)	Inhibition of Gq-mediated signalling in CHOK1 cells stably expressing M1 muscarinic receptor assessed as inhibition of carbachol-induced IP1 production by HTRF assay
50007961	2	ChEMBL_1856735 (CHEMBL4357464)	Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry
50007961	3	ChEMBL_1856733 (CHEMBL4357462)	Inhibition of G-alphaq/11 in human platelet rich plasma assessed as inhibition of ADP-mediated platelet aggregation
50007961	4	ChEMBL_1856732 (CHEMBL4357461)	Inhibition of G-alphaq/11 in human platelet rich plasma assessed as inhibition of ADP-mediated calcium ion mobilization
50007962	1	ChEMBL_1856738 (CHEMBL4357467)	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007962	2	ChEMBL_1856753 (CHEMBL4357482)	Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 3 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting method
50007962	3	ChEMBL_1856756 (CHEMBL4357485)	Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting method
50007962	4	ChEMBL_1856750 (CHEMBL4357479)	Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 1 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting method
50007962	5	ChEMBL_1856759 (CHEMBL4357488)	Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 5 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting method
50007962	6	ChEMBL_1856762 (CHEMBL4357491)	Displacement of [125I]-NDP-MSH from human melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting method
50007962	7	ChEMBL_1856746 (CHEMBL4357475)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007962	8	ChEMBL_1856740 (CHEMBL4357469)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007962	9	ChEMBL_1856743 (CHEMBL4357472)	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50007963	1	ChEMBL_1856766 (CHEMBL4357495)	Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	2	ChEMBL_1856767 (CHEMBL4357496)	Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	3	ChEMBL_1856765 (CHEMBL4357494)	Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	4	ChEMBL_1856773 (CHEMBL4357502)	Inhibition of recombinant N-terminal GST-tagged full length human HDAC5 expressed in baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	5	ChEMBL_1856778 (CHEMBL4357507)	Inhibition of recombinant human His6/GST-tagged HDAC11 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as susbtrate after 24 hrs by fluorescence based assay
50007963	6	ChEMBL_1856771 (CHEMBL4357500)	Inhibition of recombinant human His6/GST-tagged HDAC2 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as susbtrate after 24 hrs by fluorescence based assay
50007963	7	ChEMBL_1856772 (CHEMBL4357501)	Inhibition of recombinant human His6/GST-tagged HDAC4 expressed in baculovirus infected High5 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	8	ChEMBL_1856774 (CHEMBL4357503)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as susbtrate after 24 hrs by fluorescence based assay
50007963	9	ChEMBL_1856775 (CHEMBL4357504)	Inhibition of recombinant human His6/GST-tagged HDAC8 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as susbtrate after 24 hrs by fluorescence based assay
50007963	10	ChEMBL_1856776 (CHEMBL4357505)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate after 24 hrs by fluorescence based assay
50007963	11	ChEMBL_1856777 (CHEMBL4357506)	Inhibition of recombinant human His6/GST-tagged HDAC10 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as susbtrate after 24 hrs by fluorescence based assay
50007963	12	ChEMBL_1856779 (CHEMBL4357508)	Inhibition of recombinant human N-terminal GST-tagged SIRT1 expressed in Escherichia coli using Ac-Arg-His-Lys-Lys(Ac)-AMC as susbtrate after 1 hr by fluorescence based assay
50007963	13	ChEMBL_1856780 (CHEMBL4357509)	Inhibition of recombinant human N-terminal GST-tagged SIRT2 expressed in Escherichia coli using Ac-Arg-His-Lys-Lys(Ac)-AMC as susbtrate after 2 hrs by fluorescence based assay
50007963	14	ChEMBL_1856781 (CHEMBL4357510)	Inhibition of recombinant human N-terminal His-tagged SIRT3 expressed in Escherichia coli using Ac-Arg-His-Lys-Lys(Ac)-AMC as susbtrate after 2 hrs by fluorescence based assay
50007965	1	ChEMBL_1856908 (CHEMBL4357637)	Inhibition of human SphK1 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth measured after 24 hrs
50007965	2	ChEMBL_1856909 (CHEMBL4357638)	Inhibition of human SphK2 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth measured after 24 hrs
50007965	3	ChEMBL_1856907 (CHEMBL4357636)	Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using varying level of D-erythro-sphingosine as substrate in presence of [gamma33P]-ATP by scintillation proximity assay
50007965	4	ChEMBL_1856910 (CHEMBL4357639)	Inhibition of recombinant human SphK2 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]S1P production using varying level of D-erythro-sphingosine as substrate in presence of [gamma33P]-ATP by scintillation proximity assay
50007965	5	ChEMBL_1856901 (CHEMBL4357630)	Inhibition of recombinant human His6/HA-fusion-tagged SphK2 expressed in baculovirus infected sf9 insect cells using d-erythro-sphingosine as substrate in presence of [gamma32P]-ATP and ATP by radioactivity-based assay
50007965	6	ChEMBL_1856902 (CHEMBL4357631)	Inhibition of recombinant mouse SphK1 expressed in baculovirus infected Sf9 insect cells using D-erythro-sphingosine as substrate measured after 30 mins in presence of [gamma32P]-ATP by liquid scintillation counting method
50007965	7	ChEMBL_1856903 (CHEMBL4357632)	Inhibition of recombinant mouse SphK2 expressed in baculovirus infected Sf9 insect cells using D-erythro-sphingosine as substrate measured after 30 mins in presence of [gamma32P]-ATP by liquid scintillation counting method
50007965	8	ChEMBL_1856900 (CHEMBL4357629)	Inhibition of recombinant human C-terminal TEV cleavage site-fused-His6-tagged SphK1 expressed in baculovirus infected sf9 insect cells using d-erythro-sphingosine as substrate in presence of [gamma32P]-ATP and ATP by radioactivity-based assay
50007966	1	ChEMBL_1856932 (CHEMBL4357661)	Inhibition of recombinant Plasmodium falciparum Plasmepsin 4
50007966	2	ChEMBL_1856919 (CHEMBL4357648)	Inhibition of recombinant Plasmodium falciparum Plasmepsin 5
50007966	3	ChEMBL_1856924 (CHEMBL4357653)	Inhibition of recombinant Plasmodium falciparum Plasmepsin 2
50007966	4	ChEMBL_1856928 (CHEMBL4357657)	Inhibition of recombinant Plasmodium falciparum Plasmepsin 1
50007966	5	ChEMBL_1856929 (CHEMBL4357658)	Inhibition of human cathepsin D
50007966	6	ChEMBL_1856935 (CHEMBL4357664)	Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 by FRET assay
50007966	7	ChEMBL_1856941 (CHEMBL4357670)	Inhibition of human cathepsin E
50007968	1	ChEMBL_1856961 (CHEMBL4357690)	Binding affinity to Ostrinia furnacalis chitinase h catalytic domain overexpressed in Pichia pastoris by isothermal titration calorimetry
50007968	2	ChEMBL_1856956 (CHEMBL4357685)	Inhibition of mouse acidic mammalian chitinase catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	3	ChEMBL_1856959 (CHEMBL4357688)	Inhibition of human CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	4	ChEMBL_1856958 (CHEMBL4357687)	Inhibition of human acidic mammalian chitinase catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	5	ChEMBL_1856957 (CHEMBL4357686)	Inhibition of mouse CHIT1 catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	6	ChEMBL_1856955 (CHEMBL4357684)	Inhibition of Ostrinia furnacalis chitinase h catalytic domain overexpressed in Pichia pastoris using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	7	ChEMBL_1856954 (CHEMBL4357683)	Inhibition of Serratia marcescens chitinase b catalytic domain overexpressed in Escherichia coli BL21(DE3) cells using 4MU-(GlcNAc)2 as substrate after 30 mins by fluorescence based microplate reader analysis
50007968	8	ChEMBL_1856946 (CHEMBL4357675)	Binding affinity to human CHIT1 catalytic domain overexpressed in Pichia pastoris assessed by isothermal titration calorimetry
50007968	9	ChEMBL_1856944 (CHEMBL4357673)	Binding affinity to Serratia marcescens chitinase b catalytic domain overexpressed in Escherichia coli BL21(DE3) cells by isothermal titration calorimetry
50007969	1	ChEMBL_1856977 (CHEMBL4357706)	Inhibition of recombinant human His-tagged FGFR1 (308 to 731 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 1 hr by Z'-LYTE assay
50007969	2	ChEMBL_1856976 (CHEMBL4357705)	Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 1 hr by Z'-LYTE assay
50007969	3	ChEMBL_1856978 (CHEMBL4357707)	Inhibition of tracer 222 binding to recombinant human His-tagged TAK1 (437 to 504 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins by Lanthascreen assay
50007969	4	ChEMBL_1857469 (CHEMBL4358198)	Inhibition of HCK (unknown origin)
50007971	1	ChEMBL_1857507 (CHEMBL4358236)	Displacement of [3H]N/OFQ from human NOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50007971	2	ChEMBL_1857508 (CHEMBL4358237)	Displacement of [3H]DAMGO from human MOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50007971	3	ChEMBL_1857509 (CHEMBL4358238)	Displacement of [3H]DPDPE from human DOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50007971	4	ChEMBL_1857510 (CHEMBL4358239)	Displacement of [3H]U69593 from human KOP expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50007971	5	ChEMBL_1857511 (CHEMBL4358240)	Agonist activity at human NOP expressed in CHO cell membrane incubated for 60 mins by [35S]GTPgammaS binding assay
50007971	6	ChEMBL_1857512 (CHEMBL4358241)	Agonist activity at human MOP expressed in CHO cell membrane incubated for 60 mins by [35S]GTPgammaS binding assay
50007972	1	ChEMBL_1857545 (CHEMBL4358274)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007972	2	ChEMBL_1857546 (CHEMBL4358275)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007972	3	ChEMBL_1857544 (CHEMBL4358273)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007972	4	ChEMBL_1857543 (CHEMBL4358272)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50007973	1	ChEMBL_1857586 (CHEMBL4358315)	Antagonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as inhibition of current amplitude at holding potential of -100 mV by whole cell electrophysiological method
50007973	2	ChEMBL_1857572 (CHEMBL4358301)	Agonist activity at mouse Cav3.1 expressed in HEK293T cells assessed as increase in current amplitude at holding potential of -100 mV by whole cell electrophysiological method
50007973	3	ChEMBL_1857565 (CHEMBL4358294)	Agonist activity at Cav3.1 (unknown origin) expressed in HEK293T cells assessed as increase in current amplitude at holding potential of -100 mV by whole cell patch-clamp electrophysiological method
50007974	1	ChEMBL_1857645 (CHEMBL4358374)	Inhibition of ACE2 (unknown origin)
50007974	2	ChEMBL_1857651 (CHEMBL4358380)	Inhibition of human AT1 receptor
50007974	3	ChEMBL_1857648 (CHEMBL4358377)	Displacement of [125I]Ang II from AT1 receptor in rat liver membranes
50007974	4	ChEMBL_1857650 (CHEMBL4358379)	Displacement of [125I]Ang II from AT1 receptor in rat SMC membranes incubated for 60 mins by gamma counting method
50007974	5	ChEMBL_1857652 (CHEMBL4358381)	Inhibition of human AT2 receptor
50007974	6	ChEMBL_1857653 (CHEMBL4358382)	Inhibition of rat AT2 receptor
50007974	7	ChEMBL_1857654 (CHEMBL4358383)	Inhibition of rat AT1 receptor
50007974	8	ChEMBL_1857647 (CHEMBL4358376)	Antagonist activity at N-terminal c-Myc tagged human MasR expressed in HEK293T cells by cAMP accumulation based assay
50007974	9	ChEMBL_1857646 (CHEMBL4358375)	Agonist activity at N-terminal c-Myc tagged human MasR expressed in HEK293T cells assessed as reduction in forskolin-induced cAMP accumulation
50007975	1	ChEMBL_1857659 (CHEMBL4358388)	Agonist activity at rat IP3R1 expressed in human HEK cells assessed as increase in calcium release by Mag-fluo4 dye based assay
50007975	2	ChEMBL_1857661 (CHEMBL4358390)	Displacement of [3H]IP3 from rat IP3R1 expressed in human HEK cells assessed as dissociation constant by radioligand binding assay
50007975	3	ChEMBL_1857657 (CHEMBL4358386)	Agonist activity at rat IP3R1 expressed in DT40 cells assessed as increase in calcium release by Mag-fluo4 dye based assay
50007976	1	ChEMBL_1857676 (CHEMBL4358405)	Inhibition of mTOR (unknown origin)
50007976	2	ChEMBL_1857670 (CHEMBL4358399)	Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by kinase-glo assay
50007976	3	ChEMBL_1857672 (CHEMBL4358401)	Inhibition of recombinant human full-length His-tagged p110beta/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by ADP-glo assay
50007976	4	ChEMBL_1857673 (CHEMBL4358402)	Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by ADP-glo assay
50007976	5	ChEMBL_1857674 (CHEMBL4358403)	Inhibition of human full-length His-tagged p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by ADP-glo assay
50007976	6	ChEMBL_1857675 (CHEMBL4358404)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) as substrate measured after 30 mins by LANCE Ultra assay
50007978	1	ChEMBL_1857751 (CHEMBL4358480)	Inhibition of recombinant 6His/FLAG/Avi-tagged/Tev-fused IDO1 holoenzyme (unknown origin) expressed in Escherichia coli BL21 (DE3) using D-TRP as substrate preincubated for 15 mins at 37 degC followed by substrate addition and measured up to 10 mins by methylene blue dye based assay
50007978	2	ChEMBL_1857722 (CHEMBL4358451)	Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay
50007978	3	ChEMBL_1857750 (CHEMBL4358479)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay
50007978	4	ChEMBL_1857752 (CHEMBL4358481)	Inhibition of recombinant 6His/FLAG/Avi-tagged/Tev-fused IDO1 holoenzyme (unknown origin) expressed in Escherichia coli BL21 (DE3) using D-TRP as substrate preincubated for 15 mins at 25 degC followed by substrate addition and measured up to 10 mins by methylene blue dye based assay
50007980	1	ChEMBL_1857758 (CHEMBL4358487)	Inhibition of full-length human recombinant BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate measured after 60 mins by caliper assay
50007980	2	ChEMBL_1857760 (CHEMBL4358489)	Inhibition of BTK in human B cells assessed as reduction in anti-IgM/IL4-stimulated CD69 expression on B cells preincubated for 60 mins followed by anti-IgM antibody/IL4 stimulation and measured after 16 hrs by flow cytometry
50007980	3	ChEMBL_1857759 (CHEMBL4358488)	Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by HTRF assay
50007980	4	ChEMBL_1857785 (CHEMBL4358514)	Binding affinity to DNA-tagged recombinant BTK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	5	ChEMBL_1857787 (CHEMBL4358516)	Binding affinity to DNA-tagged recombinant TEC (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	6	ChEMBL_1857788 (CHEMBL4358517)	Binding affinity to DNA-tagged recombinant ITK (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	7	ChEMBL_1857790 (CHEMBL4358519)	Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	8	ChEMBL_1857791 (CHEMBL4358520)	Binding affinity to DNA-tagged recombinant ERBB4 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	9	ChEMBL_1857845 (CHEMBL4358574)	Inhibition of BTK in human basophils assessed as reduction in anti-IgE mouse IgG1 antibody Le2-stimulated CD63 expression on basophil preincubated for 30 mins in presence of IgE antibody B11 followed by anti-IgE mouse IgG1 antibody Le2 stimulation and measured after 15 mins by flow cytometry
50007980	10	ChEMBL_1857944 (CHEMBL4358673)	Inhibition of PIK4CB (unknown origin)
50007980	11	ChEMBL_1857773 (CHEMBL4358502)	Inhibition of CYP2D6 (unknown origin)
50007980	12	ChEMBL_1857779 (CHEMBL4358508)	Transactivation of PXR (unknown origin) assessed as induction of CYP3A activity by reporter gene assay
50007980	13	ChEMBL_1857786 (CHEMBL4358515)	Binding affinity to DNA-tagged recombinant BMX (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	14	ChEMBL_1857789 (CHEMBL4358518)	Binding affinity to DNA-tagged recombinant EGFR (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	15	ChEMBL_1857792 (CHEMBL4358521)	Binding affinity to DNA-tagged recombinant JAK3 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
50007980	16	ChEMBL_1857945 (CHEMBL4358674)	Inhibition of BSEP (unknown origin)
50007980	17	ChEMBL_1857806 (CHEMBL4358535)	Inhibition of human ERG by Qpatch clamp method
50007980	18	ChEMBL_1857771 (CHEMBL4358500)	Inhibition of dofetilide binding to flag-tagged human ERG
50007981	1	ChEMBL_1858064 (CHEMBL4358793)	Poison activity at topoisomerase-2 in human HepG2 cell lysate assessed as topoisomerase-2 band depletion after 3 hrs by Western blot analysis
50007982	1	ChEMBL_1858079 (CHEMBL4358808)	Binding affinity to recombinant human His-tagged BRD9 (134 to 239 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by isothermal titration calorimetry
50007982	2	ChEMBL_1858081 (CHEMBL4358810)	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by SYPRO orange dye based differential scanning fluorimetry
50007982	3	ChEMBL_1858084 (CHEMBL4358813)	Binding affinity to BRD9 (unknown origin) assessed as dissociation constant by qPCR analysis
50007982	4	ChEMBL_1858080 (CHEMBL4358809)	Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by isothermal titration calorimetry
50007982	5	ChEMBL_1858082 (CHEMBL4358811)	Binding affinity to recombinant human BRD4 BD1 expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by isothermal titration calorimetry
50007982	6	ChEMBL_1858083 (CHEMBL4358812)	Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by qPCR analysis
50007986	1	ChEMBL_1858086 (CHEMBL4358815)	Inhibition of PSMA in human LNCaP cell extracts in presence of N-acetylaspartylglutamate by Amplex red glutamic acid dependent fluorescence-based NAALADase assay
50007987	1	ChEMBL_1858090 (CHEMBL4358819)	Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp assay
50007987	2	ChEMBL_1858089 (CHEMBL4358818)	Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp assay
50007987	3	ChEMBL_1858088 (CHEMBL4358817)	Inhibition of rat alpha7 nAChR
50007987	4	ChEMBL_1858087 (CHEMBL4358816)	Inhibition of rat alpha9alpha10 nAChR
50007987	5	ChEMBL_1858093 (CHEMBL4358822)	Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes expressing alpha9:alpha10 mRNA injection ratio of 1:3 assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp assay
50007988	1	ChEMBL_1858111 (CHEMBL4358840)	Inhibition of full length C-terminal His6-tagged ERAP1 (unknown origin)-mediated antigenic epitope destruction assessed as inhibition of trimming of 9mer peptide substrate YTAFTIPSI to 8mer peptide TAFTIPSI after 60 mins by Rapidfire-MS analysis
50007988	2	ChEMBL_1858106 (CHEMBL4358835)	Activation of IRAP (unknown origin)-mediated Leu-AMC substrate hydrolysis after 60 mins by Rapidfire-MS analysis
50007988	3	ChEMBL_1858114 (CHEMBL4358843)	Inhibition of full length C-terminal His6-tagged ERAP1 (unknown origin)-mediated chicken ovalbumin antigenic epitope processing assessed as reduction in generation of mature antigenic epitopes of length ranging from 8mer to 13mer using SGLEQLESIINFEKL as substrate by Rapidfire-MS analysis
50007988	4	ChEMBL_1858115 (CHEMBL4358844)	Inhibition of ERAP1-mediated antigen epitope presentation in human HeLa cells transfected with Bacmam virus containing mouse MHC-1 allele H-2 Kb, beta2m and LEQLESIINFEKL epitope assessed as reduction in H-2 Kb/SIINFEKL complex at cell surface after 40 hrs by 25D1.16 staining based flow cytometry analysis
50007988	5	ChEMBL_1858105 (CHEMBL4358834)	Activation of ERAP2 (unknown origin)-mediated Arg-AMC substrate hydrolysis after 60 mins by Rapidfire-MS analysis
50007988	6	ChEMBL_1858103 (CHEMBL4358832)	Activation of full length C-terminal His6-tagged ERAP1 (unknown origin)-mediated fluorogenic Leu-AMC substrate hydrolysis after 60 mins by Rapidfire-MS analysis
50007988	7	ChEMBL_1858113 (CHEMBL4358842)	Inhibition of full length C-terminal His6-tagged ERAP1 (unknown origin)-mediated chicken ovalbumin antigenic epitope processing assessed as reduction in SIINFEKL generation using SGLEQLESIINFEKL as substrate measured after 30 mins by Rapidfire-MS analysis
50007993	1	ChEMBL_1858198 (CHEMBL4358927)	Inhibition of recombinant human Cathepsin S expressed in Escherichia coli assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40 mins by fluorescence assay
50007993	2	ChEMBL_1858196 (CHEMBL4358925)	Inhibition of human Cathepsin L assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40 mins by fluorescence assay
50007993	3	ChEMBL_1858183 (CHEMBL4358912)	Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor complex using Cbz-Phe-Arg-AMC as substrate and measured up to 40 mins by fluorescence assay
50007993	4	ChEMBL_1858190 (CHEMBL4358919)	Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40 mins by fluorescence assay
50007993	5	ChEMBL_1858194 (CHEMBL4358923)	Inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate and measured up to 40 mins by fluorescence assay
50007993	6	ChEMBL_1858197 (CHEMBL4358926)	Inhibition of human Cathepsin B assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured up to 40 mins by fluorescence assay
50007993	7	ChEMBL_1858199 (CHEMBL4358928)	Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by spectrofluorometric assay
50007993	8	ChEMBL_1858202 (CHEMBL4358931)	Inhibition of recombinant human Cathepsin S expressed in Escherichia coli using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50007993	9	ChEMBL_1858201 (CHEMBL4358930)	Inhibition of human Cathepsin B using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50007993	10	ChEMBL_1858200 (CHEMBL4358929)	Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescence assay
50007994	1	ChEMBL_1858216 (CHEMBL4358945)	Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabelled amino-butylidene incorporation in eIF5A using [3H]Spermidine trichloride as substrate after 90 to 120 mins in presence of eIF5A and 14 uM NAD+ by Topcount scintillation counting method
50007994	2	ChEMBL_1858217 (CHEMBL4358946)	Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabelled amino-butylidene incorporation in eIF5A using 2 uM of [3H]Spermidine trichloride as substrate after 90 to 120 mins in presence of eIF5A and 250 uM NAD+ by Topcount scintillation counting method
50007994	3	ChEMBL_1858218 (CHEMBL4358947)	Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabelled amino-butylidene incorporation in eIF5A using 100 uM of [3H]Spermidine trichloride as substrate after 90 to 120 mins in presence of eIF5A and 14 uM NAD+ by Topcount scintillation counting method
50007996	1	ChEMBL_1858223 (CHEMBL4358952)	Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectrometry
50007996	2	ChEMBL_1858221 (CHEMBL4358950)	Displacement of [3H]RX821002 from alpha2-AR in human brain frontal cortex incubated for 30 mins by liquid scintillation spectrometry
50007996	3	ChEMBL_1858257 (CHEMBL4358986)	Displacement of [125I]CCK-8s from human CCKA incubated for 60 mins by scintillation counting method
50007996	4	ChEMBL_1858258 (CHEMBL4358987)	Displacement of [125I]CCK-8s from human CCKB incubated for 60 mins by scintillation counting method
50007998	1	ChEMBL_1858299 (CHEMBL4359028)	Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007998	2	ChEMBL_1858295 (CHEMBL4359024)	Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis
50007998	3	ChEMBL_1858290 (CHEMBL4359019)	Inhibition of IDO1 in IFNgamma-stimulated human DAN-G cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007998	4	ChEMBL_1858275 (CHEMBL4359004)	Binding affinity to NT650-NHS fluorophore-labeled recombinant human N-terminal His-tagged IDO1 expressed in Escherichia coli measured after 10 mins by microscale thermophoresis assay
50007998	5	ChEMBL_1858297 (CHEMBL4359026)	Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis
50007998	6	ChEMBL_1858294 (CHEMBL4359023)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007998	7	ChEMBL_1858292 (CHEMBL4359021)	Inhibition of IDO1 in IFNgamma-stimulated human MCF7 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007998	8	ChEMBL_1858291 (CHEMBL4359020)	Inhibition of IDO1 in IFNgamma-stimulated human HepG2 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007998	9	ChEMBL_1858293 (CHEMBL4359022)	Inhibition of IDO1 in IFNgamma-stimulated human LXF-289 cells assessed as reduction in L-Kyn level measured after 48 hrs by HPLC analysis
50007999	1	ChEMBL_1858336 (CHEMBL4359065)	Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude in presence of MTSET by whole cell voltage clamp electrophysiological analysis
50007999	2	ChEMBL_1858312 (CHEMBL4359041)	Activation of recombinant human TREK1 expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	3	ChEMBL_1858318 (CHEMBL4359047)	Activation of recombinant mouse TREK2 expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	4	ChEMBL_1858333 (CHEMBL4359062)	Activation of recombinant human TREK1 T156A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	5	ChEMBL_1858335 (CHEMBL4359064)	Activation of recombinant human TREK1 I293A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	6	ChEMBL_1858337 (CHEMBL4359066)	Activation of recombinant human TREK1 G275C mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	7	ChEMBL_1858319 (CHEMBL4359048)	Activation of recombinant human TRAAK expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	8	ChEMBL_1858332 (CHEMBL4359061)	Activation of recombinant human TREK1 F149A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50007999	9	ChEMBL_1858334 (CHEMBL4359063)	Activation of recombinant human TREK1 W290A mutant expressed in HEK293T cells assessed as increase in K+ current amplitude by whole cell voltage clamp electrophysiological analysis
50008002	1	ChEMBL_1858471 (CHEMBL4359200)	Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008002	2	ChEMBL_1858469 (CHEMBL4359198)	Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008002	3	ChEMBL_1858470 (CHEMBL4359199)	Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008002	4	ChEMBL_1858472 (CHEMBL4359201)	Inhibition of NS5A in patient-derived HCV genotype 2a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008002	5	ChEMBL_1858473 (CHEMBL4359202)	Inhibition of NS5A in HCV genotype 3a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008002	6	ChEMBL_1858474 (CHEMBL4359203)	Inhibition of NS5A in patient-derived HCV genotype 3a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase reporter gene assay
50008003	1	ChEMBL_1858522 (CHEMBL4359251)	Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay
50008003	2	ChEMBL_1858521 (CHEMBL4359250)	Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay
50008004	1	ChEMBL_1858547 (CHEMBL4359276)	Inhibition of recombinant human cathepsin B expressed in Escherichia coli BL21 (DE3) using zRR-AMC as substrate measured after 2 hrs by fluorescence plate reader assay
50008004	2	ChEMBL_1858545 (CHEMBL4359274)	Inhibition of full length wild type human N-terminal GST-tagged MALT1 catalytic domain (325 to 760 residues) expressed in Escherichia coli BL21 (DE3) using Ac-LVPipR-ACC as substrate measured after 2 hrs by microplate reader assay
50008005	1	ChEMBL_1858567 (CHEMBL4359296)	Binding affinity to human TLR8 ectodomain by isothermal titration calorimetry
50008005	2	ChEMBL_1858564 (CHEMBL4359293)	Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB activation measured after 24 hrs by quanti-blue based SEAP reporter gene assay
50008005	3	ChEMBL_1858565 (CHEMBL4359294)	Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of ssRNA06-induced NF-kappaB activation measured after 24 hrs by quanti-blue based SEAP reporter gene assay
50008006	1	ChEMBL_1858609 (CHEMBL4359338)	Inhibition of human EGFR L858R/T790M mutant using poly[Glu:Tyr] (4:1) as substrate measured in presence of [gamma-33P]ATP by radiometric assay
50008006	2	ChEMBL_1858610 (CHEMBL4359339)	Inhibition of human EGFR L858R/T790M/C797S mutant using poly[Glu:Tyr] (4:1) as substrate measured in presence of [gamma-33P]ATP by radiometric assay
50008008	1	ChEMBL_1858612 (CHEMBL4359341)	Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50008008	2	ChEMBL_1858614 (CHEMBL4359343)	Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50008008	3	ChEMBL_1858611 (CHEMBL4359340)	Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay
50008008	4	ChEMBL_1858625 (CHEMBL4359354)	Partial agonist activity at recombinant N-terminal GFP-fused PPARgamma LBD (unknown origin) assessed as increase in biotinylated-CBP peptide recruitment measured after 2 hrs by HTRF assay
50008008	5	ChEMBL_1858626 (CHEMBL4359355)	Partial agonist activity at recombinant N-terminal GFP-fused PPARgamma LBD (unknown origin) assessed as increase in biotinylated-SRC1 peptide recruitment measured after 2 hrs by HTRF assay
50008009	1	ChEMBL_1858648 (CHEMBL4359377)	Inhibition of CYP3A4 (unknown origin) in absence of cofactor
50008009	2	ChEMBL_1858649 (CHEMBL4359378)	Inhibition of CYP3A4 (unknown origin) in presence of cofactor
50008010	1	ChEMBL_1858694 (CHEMBL4359423)	Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate incubated for 10 mins in presence of NADPH
50008010	2	ChEMBL_1858696 (CHEMBL4359425)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate incubated for 10 mins in presence of NADPH
50008010	3	ChEMBL_1858691 (CHEMBL4359420)	Inhibition of HIV1 RT E138K mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	4	ChEMBL_1858693 (CHEMBL4359422)	Inhibition of HIV1 RT K103N/Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	5	ChEMBL_1858687 (CHEMBL4359416)	Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	6	ChEMBL_1858689 (CHEMBL4359418)	Inhibition of HIV1 RT Y181C mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	7	ChEMBL_1858697 (CHEMBL4359426)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate incubated for 10 mins in presence of NADPH
50008010	8	ChEMBL_1858695 (CHEMBL4359424)	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate incubated for 10 mins in presence of NADPH
50008010	9	ChEMBL_1858698 (CHEMBL4359427)	Inhibition of CYP3A4 in human liver microsomes using midazolam substrate incubated for 10 mins in presence of NADPH
50008010	10	ChEMBL_1858686 (CHEMBL4359415)	Inhibition of HIV1 RT in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	11	ChEMBL_1858688 (CHEMBL4359417)	Inhibition of HIV1 RT K103N mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	12	ChEMBL_1858690 (CHEMBL4359419)	Inhibition of HIV1 RT Y188L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	13	ChEMBL_1858692 (CHEMBL4359421)	Inhibition of HIV1 RT V106A/F227L mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
50008010	14	ChEMBL_1858719 (CHEMBL4359448)	Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assay
50008011	1	ChEMBL_1858723 (CHEMBL4359452)	Inhibition of recombinant human His-tagged VEGFR2 cytoplasmic domain (789 to 1356 residues) expressed in baculovirus expression system using peptide substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50008011	2	ChEMBL_1858734 (CHEMBL4359463)	Inhibition of recombinant human His-tagged TRKA cytoplasmic domain (441 to 796 residues) expressed in baculovirus expression system using peptide substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50008011	3	ChEMBL_1858736 (CHEMBL4359465)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50008011	4	ChEMBL_1858779 (CHEMBL4359508)	Inhibition of RET isoform 15 C634R mutant (unknown origin) expressed in mouse BAF3 cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured daily
50008011	5	ChEMBL_1858792 (CHEMBL4359521)	Inhibition of RET isoform 9 M918T mutant in human MZ-CRC-1 cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured during compound dosing
50008011	6	ChEMBL_1858793 (CHEMBL4359522)	Inhibition of CCDC6/RET in human TPC1 cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured during compound dosing
50008011	7	ChEMBL_1858721 (CHEMBL4359450)	Inhibition of recombinant human GST-tagged RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system using 5'FAM-EPLYWSFPA as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50008011	8	ChEMBL_1858791 (CHEMBL4359520)	Inhibition of RET isoform 9 C634W mutant in human TT cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured during compound dosing
50008011	9	ChEMBL_1858801 (CHEMBL4359530)	Inhibition of RET isoform 9 C634R mutant (unknown origin) expressed in mouse NIH/3T3 cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days measured at 2 days interval during compound dosing
50008011	10	ChEMBL_1858780 (CHEMBL4359509)	Inhibition of RET isoform 15 M918T mutant (unknown origin) expressed in mouse BAF3 cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured daily
50008011	11	ChEMBL_1858794 (CHEMBL4359523)	Inhibition of CCDC6/RET in human LC2/ad cells assessed as reduction in cell proliferation supplemented with fresh medium containing compound for every 2 to 3 days and measured during compound dosing
50008011	12	ChEMBL_1858722 (CHEMBL4359451)	Inhibition of recombinant human N-terminal GST/His-tagged RET V804M mutant (658 to 1114 residues) expressed in Sf9 insect cells using 5'FAM-EPLYWSFPA as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50008011	13	ChEMBL_1858735 (CHEMBL4359464)	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system using peptide substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50008012	1	ChEMBL_1858834 (CHEMBL4359563)	Inhibition of nanoluciferase-tagged AIMP2 (unknown origin) expressed in human A549 cells measured after 4 hrs by luminescence assay
50008012	2	ChEMBL_1858835 (CHEMBL4359564)	Inhibition of nanoluciferase-tagged AIMP2 DX2 isoform (unknown origin) expressed in human A549 cells measured after 4 hrs by luminescence assay
50008012	3	ChEMBL_1858838 (CHEMBL4359567)	Binding affinity to AIMP2 D2X isoform (unknown origin) by fluorescence-based equilibrium binding assay
50008013	1	ChEMBL_1858857 (CHEMBL4359586)	Displacement of Alexa Fluor 647-labeled ligand from BRD4 BD1 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50008013	2	ChEMBL_1858860 (CHEMBL4359589)	Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50008013	3	ChEMBL_1858859 (CHEMBL4359588)	Displacement of Alexa Fluor 647-labeled GSK tracer from FLAG-6His-Tev-fused CECR2 (424 to 543 residue) (unknown origin) measured after 15 mins by TR-FRET assay
50008013	4	ChEMBL_1858875 (CHEMBL4359604)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50008013	5	ChEMBL_1858865 (CHEMBL4359594)	Displacement of Alexa Fluor 647-labeled ligand from BRD4 BD2 (unknown origin) measured after 30 mins by TR-FRET assay
50008013	6	ChEMBL_1858870 (CHEMBL4359599)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50008013	7	ChEMBL_1858871 (CHEMBL4359600)	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50008013	8	ChEMBL_1858873 (CHEMBL4359602)	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50008013	9	ChEMBL_1858874 (CHEMBL4359603)	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50008013	10	ChEMBL_1858876 (CHEMBL4359605)	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50008013	11	ChEMBL_1858885 (CHEMBL4359614)	Inhibition of BSP-BODIPY binding to Nanoluc-tagged CECR2 (unknown origin) expressed in HEK293 cells measured after 4 to 6 hrs by NanoBRET assay
50008013	12	ChEMBL_1858891 (CHEMBL4359620)	Inhibition of TAF1 bromodomain 2 (unknown origin)
50008013	13	ChEMBL_1858927 (CHEMBL4359656)	Binding affinity to CECR2 (unknown origin) by ITC analysis
50008013	14	ChEMBL_1858868 (CHEMBL4359597)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50008013	15	ChEMBL_1858869 (CHEMBL4359598)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50008013	16	ChEMBL_1858872 (CHEMBL4359601)	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50008015	1	ChEMBL_1858931 (CHEMBL4359660)	Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expressed in baculovirus infected sf9 insect cells measured for 1 hr in presence of fluorescein conjugate tracer by competitive fluorescence polarization assay
50008015	2	ChEMBL_1858932 (CHEMBL4359661)	Binding affinity to human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain V617F mutant (536 to 812 residues) expressed in baculovirus infected sf9 insect cells measured for 1 hr in presence of fluorescein conjugate tracer by competitive fluorescence polarization assay
50008015	3	ChEMBL_1858933 (CHEMBL4359662)	Binding affinity to wild type human N-terminal TEV cleavage site-fused/His6-tagged JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus infected sf9 insect cells measured for1 hr in presence of fluorescein conjugate tracer by competitive fluorescence polarization assay
50008015	4	ChEMBL_1858934 (CHEMBL4359663)	Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expressed in baculovirus infected sf9 insect cells by microscale thermophoresis assay
50008015	5	ChEMBL_1858939 (CHEMBL4359668)	Binding affinity to human JAK2 (kinase domain 2/JH1 catalytic domain) by competitive binding assay
50008015	6	ChEMBL_1858938 (CHEMBL4359667)	Inhibition of full length human C-terminal FLAG-tagged JAK2 V617F mutant (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubated in buffer with compound for 1 hr followed by treatment with enzyme and [gamma32P]-ATP for 15 mins by immunoprecipitation assay based autoradiography
50008015	7	ChEMBL_1858937 (CHEMBL4359666)	Inhibition of wild type full length human JAK2 (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubated in buffer with compound for 1 hr followed by treatment with enzyme and [gamma32P]-ATP for 15 mins by immunoprecipitation assay based autoradiography
50008015	8	ChEMBL_1858943 (CHEMBL4359672)	Binding affinity to 6XHis-tagged human JAK2 JH2 domain V617F mutant (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP binding assay
50008015	9	ChEMBL_1858929 (CHEMBL4359658)	Binding affinity to human C-terminal His8-tagged JAK2 pseudokinase (513 to 827 residues) expressed in baculovirus infected Hi-5 cells by intrinsic tryptophan fluorescence assay
50008015	10	ChEMBL_1858942 (CHEMBL4359671)	Binding affinity to wild type 6XHis-tagged human JAK2 JH2 domain (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP binding assay
50008017	1	ChEMBL_1858948 (CHEMBL4359677)	Inhibition of recombinant human full length HSP90 alpha expressed in Escherichia coli cells after 1 hr by fluorescence polarization assay
50008019	1	ChEMBL_1859087 (CHEMBL4359943)	Inhibition of IRAK4 in human THP1-Xblue-MD2-CD14 cells assessed as reduction in LPS-induced NFkappaB transcription by measuring alkaline phosphatase level preincubated for 1 hr followed by LPS stimulation and measured after 20 hrs by quanti-blue reagent based reporter assay
50008019	2	ChEMBL_1859084 (CHEMBL4359940)	Inhibition of human recombinant full length His6-tagged IRAK4 expressed in baculovirus expression system using H-KKARFSRFAGSSPSQSSMVAR as substrate incubated for 90 mins by fluorescence polarisation assay
50008019	3	ChEMBL_1859085 (CHEMBL4359941)	Inhibition of human recombinant full length N-terminal His6-tagged IRAK1 (Argl94 to Ser712 residues) expressed in insect cells using H-KKARFSRFAGSSPSQSSMVAR as substrate incubated for 60 mins by fluorescence polarisation assay
50008019	4	ChEMBL_1859153 (CHEMBL4360009)	Inhibition of recombinant IRAK4 (unknown origin) using KKARFSRFAGSSPSQSSMVAR as substrate in presence of [gamma33P]-ATP by liquid scintillation counting method
50008020	1	ChEMBL_1859158 (CHEMBL4360014)	Antagonist activity at human full-length ERalpha expressed in non-human mammalian expression system assessed as inhibition of 17beta-estradiol-induced response measured after 22 to 24 hrs by luciferase reporter gene assay
50008020	2	ChEMBL_1859159 (CHEMBL4360015)	Antagonist activity at human full-length ERbeta expressed in non-human mammalian expression system assessed as inhibition of 17beta-estradiol-induced response measured after 22 to 24 hrs by luciferase reporter gene assay
50008021	1	ChEMBL_1859288 (CHEMBL4360144)	Binding affinity to human serum albumin
50008021	2	ChEMBL_1859282 (CHEMBL4360138)	Inhibition of recombinant human ICMT expressed in Sf9 insect cell membranes using biotin-farnesyl-L-cysteine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by scintillation counting analysis
50008022	1	ChEMBL_1859358 (CHEMBL4360214)	Inhibition of pig brain tubulin polymerization measured every 1 min for 25 mins by spectrophotometric method
50008025	1	ChEMBL_1859391 (CHEMBL4360247)	Inhibition of wild-type IDH1 (unknown origin) by NADPH fluorescence based assay
50008025	2	ChEMBL_1859390 (CHEMBL4360246)	Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketoglutarate substrate and NADPH addition after 45 mins by diaphorase and resazurin dye based assay
50008025	3	ChEMBL_1859392 (CHEMBL4360248)	Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	4	ChEMBL_1859393 (CHEMBL4360249)	Inhibition of IDH1 R132C mutant in human HCT116 cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	5	ChEMBL_1859394 (CHEMBL4360250)	Inhibition of human Myc-DDK-tagged IDH1 R132H mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	6	ChEMBL_1859386 (CHEMBL4360242)	Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketoglutarate substrate and NADPH addition after 45 mins by diaphorase and resazurin dye based assay
50008025	7	ChEMBL_1859473 (CHEMBL4360329)	Inhibition of human ERG by patch clamp method
50008025	8	ChEMBL_1859395 (CHEMBL4360251)	Inhibition of human Myc-DDK-tagged IDH1 R132C mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	9	ChEMBL_1859404 (CHEMBL4360260)	Inhibition of human Myc-DDK-tagged IDH1 R132G mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	10	ChEMBL_1859405 (CHEMBL4360261)	Inhibition of human Myc-DDK-tagged IDH1 R132L mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	11	ChEMBL_1859406 (CHEMBL4360262)	Inhibition of human Myc-DDK-tagged IDH1 R132S mutant expressed in human U87MG cells assessed as reduction in 2-HG levels after 24 hrs by RapidFire high-throughput mass spectrometry assay
50008025	12	ChEMBL_1859457 (CHEMBL4360313)	Inhibition of IDH2 R172K mutant (unknown origin)
50008025	13	ChEMBL_1859458 (CHEMBL4360314)	Inhibition of IDH2 R140Q mutant (unknown origin)
50008027	1	ChEMBL_1859478 (CHEMBL4360334)	Inhibition of GLS2 (unknown origin)
50008027	2	ChEMBL_1859477 (CHEMBL4360333)	Inhibition of recombinant 6His-tagged GLS1 KGA isoform (unknown origin) (63 to 669 residues) expressed in Escherichia coli using glutamine as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by amplex red staining-based horseradish peroxidase/glutamate oxidase coupled assay
50008027	3	ChEMBL_1859496 (CHEMBL4360352)	Inhibition of GLS1 GAC isoform (unknown origin) using glutamine as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by amplex red staining-based horseradish peroxidase/glutamate oxidase coupled assay
50008027	4	ChEMBL_1859502 (CHEMBL4360358)	Inhibition of human ERG expressed in CHO cells by Ionworks electrophysiology assay
50008027	5	ChEMBL_1859525 (CHEMBL4360381)	Inhibition of NET (unknown origin)
50008027	6	ChEMBL_1859527 (CHEMBL4360383)	Inhibition of 5HT2B (unknown origin)
50008027	7	ChEMBL_1859530 (CHEMBL4360386)	Inhibition of dopamine transporter (unknown origin)
50008027	8	ChEMBL_1859529 (CHEMBL4360385)	Inhibition of NK1R (unknown origin)
50008027	9	ChEMBL_1859528 (CHEMBL4360384)	Inhibition of OPRM (unknown origin)
50008030	1	ChEMBL_1859548 (CHEMBL4360404)	Inhibition of recombinant human DHFR using dihydrofolic acid as substrate in presence of NADPH after 15 mins by microplate reader analysis
50008033	1	ChEMBL_1859560 (CHEMBL4360416)	Inhibition of mushroom tyrosinase assessed as reduction in dopachrome production using L-DOPA as substrate after 5 mins by spectrophotometric analysis
50008036	1	ChEMBL_1859653 (CHEMBL4360509)	Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by fluorescence polarization binding assay
50008036	2	ChEMBL_1859656 (CHEMBL4360512)	Agonist activity at recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as peptide D22 recruitment fluorescence polarization binding assay
50008036	3	ChEMBL_1859654 (CHEMBL4360510)	Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by fluorescence polarization binding assay
50008037	1	ChEMBL_1859747 (CHEMBL4360603)	Inhibition of Staphylococcus aureus DNA gyrase S84L mutant
50008037	2	ChEMBL_1859748 (CHEMBL4360604)	Inhibition of Staphylococcus aureus topoisomerase-4 expressed in Escherichia coli assessed as relaxation of pBR322 substrate measured after 4 hrs by SDS-PAGE
50008039	1	ChEMBL_1859776 (CHEMBL4360632)	Inhibition of FLT3 ITD mutant (unknown origin)
50008039	2	ChEMBL_1859771 (CHEMBL4360627)	Inhibition of SKY (unknown origin)
50008039	3	ChEMBL_1859800 (CHEMBL4360656)	Inhibition of IKK2 (unknown origin)
50008039	4	ChEMBL_1859761 (CHEMBL4360617)	Inhibition of N-terminal GST-tagged recombinant human full length Pim-1 using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay
50008039	5	ChEMBL_1859775 (CHEMBL4360631)	Inhibition of wild type FLT3 (unknown origin)
50008039	6	ChEMBL_1859774 (CHEMBL4360630)	Inhibition of FES (unknown origin)
50008039	7	ChEMBL_1859777 (CHEMBL4360633)	Inhibition of FLT3 D835Y mutant (unknown origin)
50008039	8	ChEMBL_1859752 (CHEMBL4360608)	Inhibition of FLT3 (unknown origin)
50008039	9	ChEMBL_1859779 (CHEMBL4360635)	Inhibition of AKT (unknown origin)
50008039	10	ChEMBL_1859783 (CHEMBL4360639)	Inhibition of FLT3 ITD/D835H double mutant (unknown origin)
50008039	11	ChEMBL_1859784 (CHEMBL4360640)	Inhibition of FLT3 ITD/D835Y double mutant (unknown origin)
50008039	12	ChEMBL_1859787 (CHEMBL4360643)	Inhibition of N-terminal GST-tagged human FLT3 (563 to 993 residues) cytoplasmic domain expressed in baculovirus infected sf9 cells using EAIYAAPFAKKK as substrate after 10 mins in presence of [gamma-33P]-ATP by scintillation counting method
50008039	13	ChEMBL_1859793 (CHEMBL4360649)	Inhibition of N-terminal GST-tagged human FLT3 (564 to 993 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA
50008039	14	ChEMBL_1859794 (CHEMBL4360650)	Inhibition of N-terminal GST-tagged human AXL (464 to 885 residues) cytoplasmic domain expressed in baculovirus expression system by ELISA
50008039	15	ChEMBL_1859797 (CHEMBL4360653)	Inhibition of FLT3 ITD mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay
50008039	16	ChEMBL_1859798 (CHEMBL4360654)	Inhibition of FLT3 D835Y mutant (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay
50008039	17	ChEMBL_1859753 (CHEMBL4360609)	Inhibition of JAK2 (unknown origin)
50008039	18	ChEMBL_1859758 (CHEMBL4360614)	Inhibition of MEK1 (unknown origin) phosphorylation by [gamma-33P]-ATP assay
50008039	19	ChEMBL_1859762 (CHEMBL4360618)	Inhibition of N-terminal 6His-tagged recombinant human Pim-3 using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay
50008039	20	ChEMBL_1859768 (CHEMBL4360624)	Binding affinity to Pim-2 (unknown origin)
50008039	21	ChEMBL_1859769 (CHEMBL4360625)	Binding affinity to Pim-3 (unknown origin)
50008039	22	ChEMBL_1859770 (CHEMBL4360626)	Binding affinity to N-terminal GST-tagged human FLT3 (563 to 993 residues) cytoplasmic domain expressed in baculovirus infected sf9 cells using poly (Glu, Tyr) 4:1 as substrate in presence of [gamma-33P]-ATP by TopCount method
50008039	23	ChEMBL_1859778 (CHEMBL4360634)	Inhibition of FLT3 D835H mutant (unknown origin)
50008039	24	ChEMBL_1859757 (CHEMBL4360613)	Inhibition of FLT3 (unknown origin) phosphorylation by [gamma-33P]-ATP assay
50008039	25	ChEMBL_1859766 (CHEMBL4360622)	Binding affinity to FLT3 (unknown origin)
50008039	26	ChEMBL_1859796 (CHEMBL4360652)	Inhibition of TOPK (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay
50008039	27	ChEMBL_1859751 (CHEMBL4360607)	Inhibition of human Pim-2 expressed in Escherichia coli cells using KKRNRTLTV as substrate after 40 mins by [gamma-33P]-ATP assay
50008039	28	ChEMBL_1859767 (CHEMBL4360623)	Binding affinity to Pim-1 (unknown origin)
50008039	29	ChEMBL_1859788 (CHEMBL4360644)	Inhibition of recombinant N-terminal His6-tagged human PDGFR-beta (557 to end residues) using EAIYAAPFAKKK as substrate after 10 mins in presence of [gamma-33P]-ATP by scintillation counting method
50008039	30	ChEMBL_1859795 (CHEMBL4360651)	Inhibition of FLT3 (unknown origin) using MBP as substrate after 3 hrs by ADP-Glo assay
50008039	31	ChEMBL_1859799 (CHEMBL4360655)	Inhibition of wild type FLT3 (unknown origin) expressed in mouse BAF3 cells
50008040	1	ChEMBL_1859870 (CHEMBL4360726)	Displacement of [3H]Ile5,6-deltorphin-2 from DOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis
50008040	2	ChEMBL_1859871 (CHEMBL4360727)	Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis
50008040	3	ChEMBL_1859866 (CHEMBL4360722)	Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis
50008040	4	ChEMBL_1859869 (CHEMBL4360725)	Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis
50008040	5	ChEMBL_1859874 (CHEMBL4360730)	Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis
50008040	6	ChEMBL_1859881 (CHEMBL4360737)	Agonist activity at CB1R in Wistar rat brain membranes in presence of rimonabant after 60 mins by [35S]-GTPgammaS binding assay
50008040	7	ChEMBL_1859880 (CHEMBL4360736)	Agonist activity at MOR in Wistar rat brain membranes in presence of naloxone after 60 mins by [35S]-GTPgammaS binding assay
50008040	8	ChEMBL_1859882 (CHEMBL4360738)	Agonist activity at CB2R in Wistar rat brain membranes in presence of AM630 after 60 mins by [35S]-GTPgammaS binding assay
50008040	9	ChEMBL_1859900 (CHEMBL4360756)	Agonist activity at MOR in Wistar rat brain membranes after 60 mins by [35S]-GTPgammaS binding assay
50008040	10	ChEMBL_1859901 (CHEMBL4360757)	Agonist activity at CB1R/CB2R in Wistar rat brain membranes after 60 mins by [35S]-GTPgammaS binding assay
50008040	11	ChEMBL_1859865 (CHEMBL4360721)	Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes assessed as dissociation constant by liquid scintillation analysis
50008040	12	ChEMBL_1859861 (CHEMBL4360717)	Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes assessed as dissociation rate constant at 10 uM by liquid scintillation analysis
50008042	1	ChEMBL_1859905 (CHEMBL4360761)	Inhibition of human IDO1 expressed in Escherichia coli Rosetta measured after 1 hr by microplate reader analysis
50008042	2	ChEMBL_1859906 (CHEMBL4360762)	Inhibition of human TDO expressed in Escherichia coli Rosetta measured after 1 hr microplate reader analysis
50008042	3	ChEMBL_1859908 (CHEMBL4360764)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	4	ChEMBL_1859907 (CHEMBL4360763)	Inhibition of IDO in human HeLa cells using tryptophan as substrate measured after 48 hrs in presence of INF gamma microplate reader analysis
50008042	5	ChEMBL_1859913 (CHEMBL4360769)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	6	ChEMBL_1859910 (CHEMBL4360766)	Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	7	ChEMBL_1859911 (CHEMBL4360767)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	8	ChEMBL_1859909 (CHEMBL4360765)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	9	ChEMBL_1859912 (CHEMBL4360768)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 10 mins in presence of NADPH by UHPLC-MS/MS analysis
50008042	10	ChEMBL_1859914 (CHEMBL4360770)	Inhibition of CYP3A4 (unknown origin)
50008045	1	ChEMBL_1859983 (CHEMBL4360839)	Inhibition of human recombinant full length N-terminal His tagged BTK expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008045	2	ChEMBL_1859988 (CHEMBL4360844)	Inhibition of human recombinant full length N-terminal His tagged BTK C481S mutant expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008046	1	ChEMBL_1860096 (CHEMBL4360952)	Inhibition of TNAS binding to human sepiapterin reductase by 19F-NMR spectra analysis
50008046	2	ChEMBL_1860102 (CHEMBL4360958)	Inhibition of human sepiapterin reductase using L-sepiapterin as substrate preincubated for 15 mins followed by substrate addition
50008048	1	ChEMBL_1860104 (CHEMBL4360960)	Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activation at -100 mV holding potential treated for 1 min by two electrode voltage-clamp assay
50008048	2	ChEMBL_1860103 (CHEMBL4360959)	Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced channel activation at -100 mV holding potential treated for 1 min by two electrode voltage-clamp assay
50008049	1	ChEMBL_1860110 (CHEMBL4360966)	Displacement of Alexafluor labelled kinase tracer314 from recombinant N-terminal His6-tagged PI3K p110alpha (unknown origin) incubated for 1 hr by FRET-based LanthaScreen Eu kinase binding assay
50008049	2	ChEMBL_1860111 (CHEMBL4360967)	Displacement of Alexafluor labelled kinase tracer314 from recombinant human C-terminal GST-tagged mTOR (1360 to 2549 amino acids) expressed in insect cells incubated for 1 hr by FRET-based LanthaScreen Eu kinase binding assay
50008049	3	ChEMBL_1860114 (CHEMBL4360970)	Binding affinity to wild-type human partial length PIK3CA (R108 to N1068 residues) expressed in mammalian expression system by quantitative PCR based KINOMEscan assay
50008049	4	ChEMBL_1860113 (CHEMBL4360969)	Binding affinity to wild-type human partial length PIK3CG (S144 to A1102 residues) expressed in mammalian expression system by quantitative PCR based KINOMEscan assay
50008050	1	ChEMBL_1860167 (CHEMBL4361023)	Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopathic effect measured after 96 hrs post-infection by MTS assay
50008050	2	ChEMBL_1860162 (CHEMBL4361018)	Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addition and measured after 20 mins by DNTB reagent-based spectrophotometric method
50008051	1	ChEMBL_1860326 (CHEMBL4361182)	Inhibition of human GST-tagged DDR1 catalytic domain (440 to 876 residues) expressed in baculovirus expression system by Lanthascreen Eu-binding assay
50008051	2	ChEMBL_1860359 (CHEMBL4361215)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in pS6 phosphorylation at S235 residue measured after 2 hrs by Western blot analysis
50008051	3	ChEMBL_1860368 (CHEMBL4361224)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in ERK phosphorylation at T204 residue measured after 2 hrs by Western blot analysis
50008051	4	ChEMBL_1860342 (CHEMBL4361198)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y703 residue measured after 2 hrs by Western blot analysis
50008051	5	ChEMBL_1860351 (CHEMBL4361207)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in AKT phosphorylation at T308 residue measured after 2 hrs by Western blot analysis
50008051	6	ChEMBL_1860324 (CHEMBL4361180)	Inhibition of human N-terminal GST-tagged KIT V559D/T670I double mutant (544 to end residues) expressed in baculovirus infected Sf9 insect cells by Lanthascreen Eu-binding method
50008051	7	ChEMBL_1860325 (CHEMBL4361181)	Inhibition of recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system by Z-lyte assay
50008051	8	ChEMBL_1860329 (CHEMBL4361185)	Inhibition of recombinant human His-tagged PDGFRB cytoplasmic domain (558 to 1106 residues) expressed in baculovirus expression system by Z-lyte assay
50008051	9	ChEMBL_1860330 (CHEMBL4361186)	Inhibition of recombinant human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system by Z-lyte assay
50008051	10	ChEMBL_1860343 (CHEMBL4361199)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y719 residue measured after 2 hrs by Western blot analysis
50008051	11	ChEMBL_1860345 (CHEMBL4361201)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y703 residue measured after 2 hrs by Western blot analysis
50008051	12	ChEMBL_1860346 (CHEMBL4361202)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y719 residue measured after 2 hrs by Western blot analysis
50008051	13	ChEMBL_1860347 (CHEMBL4361203)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y823 residue measured after 2 hrs by Western blot analysis
50008051	14	ChEMBL_1860350 (CHEMBL4361206)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R cells assessed as reduction in c-KIT autophosphorylation at Y823 residue measured after 2 hrs by Western blot analysis
50008051	15	ChEMBL_1860352 (CHEMBL4361208)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 2 hrs by Western blot analysis
50008051	16	ChEMBL_1860354 (CHEMBL4361210)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in pS6 phosphorylation at S236 residue measured after 2 hrs by Western blot analysis
50008051	17	ChEMBL_1860355 (CHEMBL4361211)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in ERK phosphorylation at T202 residue measured after 2 hrs by Western blot analysis
50008051	18	ChEMBL_1860356 (CHEMBL4361212)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in ERK phosphorylation at T204 residue measured after 2 hrs by Western blot analysis
50008051	19	ChEMBL_1860358 (CHEMBL4361214)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 2 hrs by Western blot analysis
50008051	20	ChEMBL_1860360 (CHEMBL4361216)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in pS6 phosphorylation at S236 residue measured after 2 hrs by Western blot analysis
50008051	21	ChEMBL_1860363 (CHEMBL4361219)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in AKT phosphorylation at T308 residue measured after 2 hrs by Western blot analysis
50008051	22	ChEMBL_1860364 (CHEMBL4361220)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in AKT phosphorylation at S473 residue measured after 2 hrs by Western blot analysis
50008051	23	ChEMBL_1860365 (CHEMBL4361221)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in pS6 phosphorylation at S235 residue measured after 2 hrs by Western blot analysis
50008051	24	ChEMBL_1860367 (CHEMBL4361223)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in ERK phosphorylation at T202 residue measured after 2 hrs by Western blot analysis
50008051	25	ChEMBL_1860348 (CHEMBL4361204)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R cells assessed as reduction in c-KIT autophosphorylation at Y703 residue measured after 2 hrs by Western blot analysis
50008051	26	ChEMBL_1860361 (CHEMBL4361217)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in ERK phosphorylation at T202 residue measured after 2 hrs by Western blot analysis
50008051	27	ChEMBL_1860349 (CHEMBL4361205)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R cells assessed as reduction in c-KIT autophosphorylation at Y719 residue measured after 2 hrs by Western blot analysis
50008051	28	ChEMBL_1860353 (CHEMBL4361209)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in pS6 phosphorylation at S235 residue measured after 2 hrs by Western blot analysis
50008051	29	ChEMBL_1860357 (CHEMBL4361213)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in AKT phosphorylation at T308 residue measured after 2 hrs by Western blot analysis
50008051	30	ChEMBL_1860362 (CHEMBL4361218)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GISTT1 cells assessed as reduction in ERK phosphorylation at T204 residue measured after 2 hrs by Western blot analysis
50008051	31	ChEMBL_1860366 (CHEMBL4361222)	Inhibition of c-KIT 560 to 578 deletion/T670I mutant in human GIST5R assessed as reduction in pS6 phosphorylation at S236 residue measured after 2 hrs by Western blot analysis
50008051	32	ChEMBL_1860323 (CHEMBL4361179)	Inhibition of human KIT
50008051	33	ChEMBL_1860328 (CHEMBL4361184)	Inhibition of recombinant human GST-tagged PDGFRA cytoplasmic domain (550 to 1089 residues) expressed in baculovirus expression system by Z-lyte assay
50008051	34	ChEMBL_1860344 (CHEMBL4361200)	Inhibition of c-KIT 560 to 578 deletion mutant in human GISTT1 cells assessed as reduction in c-KIT autophosphorylation at Y823 residue measured after 2 hrs by Western blot analysis
50008052	1	ChEMBL_1860516 (CHEMBL4361372)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta scintillation counting analysis
50008052	2	ChEMBL_1860520 (CHEMBL4361376)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008052	3	ChEMBL_1860515 (CHEMBL4361371)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D2L receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta scintillation counting analysis
50008052	4	ChEMBL_1860521 (CHEMBL4361377)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008052	5	ChEMBL_1860522 (CHEMBL4361378)	Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008052	6	ChEMBL_1860517 (CHEMBL4361373)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta scintillation counting analysis
50008054	1	ChEMBL_1860610 (CHEMBL4361466)	Inhibition of human JNK1alpha1 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	2	ChEMBL_1860609 (CHEMBL4361465)	Inhibition of recombinant human full-length JNK3 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	3	ChEMBL_1860686 (CHEMBL4361542)	Inhibition of recombinant human Abl (27 to end residues) using EAIYAAPFAKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	4	ChEMBL_1860688 (CHEMBL4361544)	Inhibition of recombinant human Abl Y253F mutant (27 to end residues) using EAIYAAPFAKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	5	ChEMBL_1860612 (CHEMBL4361468)	Inhibition of human JNK2alpha2 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	6	ChEMBL_1860689 (CHEMBL4361545)	Inhibition of recombinant human full-length yes using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	7	ChEMBL_1860687 (CHEMBL4361543)	Inhibition of recombinant human Abl Q252H mutant (27 to end residues) using EAIYAAPFAKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	8	ChEMBL_1860696 (CHEMBL4361552)	Inhibition of recombinant human EGFR T790M/L858R double mutant (696 to end residues) using GGMEDIYFEFMGGKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008054	9	ChEMBL_1860695 (CHEMBL4361551)	Inhibition of human EGFR L858R mutant (696 to end residues) using poly (Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50008055	1	ChEMBL_1860781 (CHEMBL4361637)	Antagonist activity at TLR4 (unknown origin) assessed as inhibition of proinflammatory cytokines
50008055	2	ChEMBL_1860780 (CHEMBL4361636)	Antagonist activity at TLR4 (unknown origin)
50008055	3	ChEMBL_1860750 (CHEMBL4361606)	Binding affinity to recombinant human TLR4 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysis
50008055	4	ChEMBL_1860752 (CHEMBL4361608)	Binding affinity to recombinant human MD2 assessed as dissociation constant up to 200 uM by surface plasmon resonance analysis
50008056	1	ChEMBL_1860787 (CHEMBL4361643)	Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-blue reagent by SEAP reporter gene-based spectrophotometric method
50008057	1	ChEMBL_1860795 (CHEMBL4361651)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	2	ChEMBL_1860797 (CHEMBL4361653)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	3	ChEMBL_1860799 (CHEMBL4361655)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	4	ChEMBL_1860793 (CHEMBL4361649)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	5	ChEMBL_1860794 (CHEMBL4361650)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	6	ChEMBL_1860801 (CHEMBL4361657)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	7	ChEMBL_1860792 (CHEMBL4361648)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	8	ChEMBL_1860796 (CHEMBL4361652)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	9	ChEMBL_1860798 (CHEMBL4361654)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008057	10	ChEMBL_1860800 (CHEMBL4361656)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008058	1	ChEMBL_1860814 (CHEMBL4361670)	Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-ATP by radiometric assay
50008058	2	ChEMBL_1860815 (CHEMBL4361671)	Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-ATP by radiometric assay
50008059	1	ChEMBL_1860827 (CHEMBL4361683)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane
50008059	2	ChEMBL_1860828 (CHEMBL4361684)	Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membrane
50008059	3	ChEMBL_1860830 (CHEMBL4361686)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK243 cell membrane
50008059	4	ChEMBL_1860833 (CHEMBL4361689)	Agonist activity at human alpha4beta2 nAChR expressed in GH4C1 cells assessed as increase in inward channel current measured after 3 to 4 days at -70 mV holding potential by patch clamp assay
50008059	5	ChEMBL_1860835 (CHEMBL4361691)	Agonist activity at human alpha3beta4 nAChR expressed in GH4C1 cells assessed as increase in inward channel current measured after 3 to 4 days at -70 mV holding potential by patch clamp assay
50008059	6	ChEMBL_1860826 (CHEMBL4361682)	Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain cerebral cortex membrane incubated for 75 mins by scintillation counting method
50008061	1	ChEMBL_1860844 (CHEMBL4361700)	Antagonist activity at GluN1a/GluN2A (unknown origin) expressed in Xenopus laevis oocytes at -60 mV holding potential by voltage clamp method
50008062	1	ChEMBL_1860900 (CHEMBL4361756)	Inhibition of p300 (unknown origin) using biotinylated histone H3 (1 to 21 residues) as substrate measured after 90 mins in presence of Acetyl CoA by AlphaLISA assay
50008062	2	ChEMBL_1860905 (CHEMBL4361761)	Inhibition of recombinant HDAC3 (unknown origin) measured after 30 mins by fluorescence assay
50008062	3	ChEMBL_1860903 (CHEMBL4361759)	Inhibition of recombinant HDAC1 (unknown origin) measured after 30 mins by fluorescence assay
50008062	4	ChEMBL_1860904 (CHEMBL4361760)	Inhibition of recombinant HDAC2 (unknown origin) measured after 30 mins by fluorescence assay
50008062	5	ChEMBL_1860906 (CHEMBL4361762)	Inhibition of recombinant HDAC6 (unknown origin) measured after 30 mins by fluorescence assay
50008062	6	ChEMBL_1860907 (CHEMBL4361763)	Inhibition of recombinant HDAC8 (unknown origin) measured after 30 mins by fluorescence assay
50008062	7	ChEMBL_1860909 (CHEMBL4361765)	Inhibition of p300 (unknown origin)
50008063	1	ChEMBL_1861040 (CHEMBL4361896)	Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma-33P]-ATP assay
50008063	2	ChEMBL_1861041 (CHEMBL4361897)	Binding affinity to human IRK1 using myelin basic protein as substrate by [gamma-33P]-ATP assay
50008065	1	ChEMBL_1861049 (CHEMBL4361905)	Agonist activity at human CB1 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay
50008065	2	ChEMBL_1861052 (CHEMBL4361908)	Agonist activity at human CB2 receptor expressed in AtT-20 cells measured every 2 secs for 2 mins by FLIPR assay
50008067	1	ChEMBL_1861058 (CHEMBL4361914)	Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 12.5 uM after 48 hrs by MTT assay (Rvb = 51.19 +/- 0.95 microM)
50008068	1	ChEMBL_1861084 (CHEMBL4361940)	Inhibition of human ROCK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 20 mins in presence of [gamma33P]ATP by filter binding method
50008068	2	ChEMBL_1861095 (CHEMBL4361951)	Inhibition of N-terminal His-tagged human ROCK1 (3 to 543 residues) expressed in baculovirus infected Sf9 cells using biotin-Ahx-AKRRRLSSLRA-CONH2 as substrate incubated for 90 mins in presence of [gamma33P]ATP by scintillation counting method
50008068	3	ChEMBL_1861094 (CHEMBL4361950)	Inhibition of recombinant human GST-tagged ROCK2 (1 to 552 residues) using myelin basic protein as substrate incubated for 30 mins by ADP-Glo assay
50008068	4	ChEMBL_1861087 (CHEMBL4361943)	Inhibition of human recombinant ROCK1 expressed in Baculovirus infected Sf9 cells assessed as inhibition of Ulight-RRRSLLE phosphorylation incubated for 20 mins by LANCE assay
50008068	5	ChEMBL_1861083 (CHEMBL4361939)	Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 20 mins in presence of [gamma33P]ATP by filter binding method
50008068	6	ChEMBL_1861096 (CHEMBL4361952)	Inhibition of ROCK (unknown origin)
50008068	7	ChEMBL_1861093 (CHEMBL4361949)	Inhibition of recombinant human GST-tagged ROCK1 (1 to 535 residues) using myelin basic protein as substrate incubated for 30 mins by ADP-Glo assay
50008068	8	ChEMBL_1861088 (CHEMBL4361944)	Inhibition of human recombinant ROCK2 expressed in Baculovirus infected Sf21 cells assessed as inhibition of Ulight-RRRSLLE phosphorylation incubated for 15 mins by LANCE assay
50008068	9	ChEMBL_1861086 (CHEMBL4361942)	Binding affinity to ROCK2 (unknown origin) incubated for 1 hr by qPCR analysis
50008068	10	ChEMBL_1861085 (CHEMBL4361941)	Binding affinity to ROCK1 (unknown origin) incubated for 1 hrs by qPCR analysis
50008074	1	ChEMBL_1861097 (CHEMBL4361953)	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50008074	2	ChEMBL_1861098 (CHEMBL4361954)	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis
50008074	3	ChEMBL_1861100 (CHEMBL4361956)	Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50008074	4	ChEMBL_1861108 (CHEMBL4361964)	Inhibition of 17beta-HSD2 in human MDA-MB-231 cells using [3H]-E2 as substrate after 6 hrs by radio-HPLC analysis
50008074	5	ChEMBL_1861112 (CHEMBL4361968)	Inhibition of recombinant rat 17beta-HSD1 expressed in HEK293 cells using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis
50008074	6	ChEMBL_1861111 (CHEMBL4361967)	Inhibition of rat liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50008075	1	ChEMBL_1861127 (CHEMBL4361983)	Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured for 125 secs by Ellman's method
50008075	2	ChEMBL_1861126 (CHEMBL4361982)	Inhibition of electric eel AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodide as substrate measured for 125 secs by Ellman's method
50008075	3	ChEMBL_1861128 (CHEMBL4361984)	Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrate measured for 125 secs by Ellman's method
50008075	4	ChEMBL_1861125 (CHEMBL4361981)	Inhibition of electric eel AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate measured for 125 secs by Ellman's method
50008075	5	ChEMBL_1861135 (CHEMBL4361991)	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylcholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 5 mins by Ellman's method
50008075	6	ChEMBL_1861136 (CHEMBL4361992)	Inhibition of human serum BuChe by Ellman's method
50008075	7	ChEMBL_1861153 (CHEMBL4362009)	Inhibition of human serum BuChe using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured for 5 mins by Ellman's method
50008075	8	ChEMBL_1861160 (CHEMBL4362016)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured for 5 mins by Ellman's method
50008076	1	ChEMBL_1861162 (CHEMBL4362018)	Antagonist activity at human P2Y14R stably expressed in human forskolin treated THP1 cells assessed as reduction in P2Y14R agonist UDPG-induced inhibition of cAMP production incubated for 15 mins by competitive enzyme-linked immunoassay
50008077	1	ChEMBL_1861192 (CHEMBL4362048)	Inhibition of VEGFR (unknown origin)
50008077	2	ChEMBL_1861191 (CHEMBL4362047)	Inhibition of EGFR (unknown origin)
50008077	3	ChEMBL_1861188 (CHEMBL4362044)	Inhibition of telomerase (unknown origin)
50008077	4	ChEMBL_1861182 (CHEMBL4362038)	Inhibition of recombinant His-tagged human EGFR (645 to 1186 residues) cytoplasmic domain expressed in baculovirus infected Sf9 cells incubated for 10 mins by time resolved fluorimetry
50008077	5	ChEMBL_1861203 (CHEMBL4362059)	Inhibition of P-selectin (unknown origin) incubated for 30 mins by ELISA
50008077	6	ChEMBL_1861204 (CHEMBL4362060)	Displacement of [3H]BK from Bradykinin B2 Receptor in guinea pig ileum by liquid scintillation counter
50008077	7	ChEMBL_1861207 (CHEMBL4362063)	Inhibition of recombinant human BACE 1 using Rh-EVNL-DAEFK-Quencher as substrate incubated for 60 mins by fluorescence based assay
50008077	8	ChEMBL_1861205 (CHEMBL4362061)	Displacement of [3H]bradykinin from human recombinant bradykinin B2 receptor expressed in CHO cells incubated for 2 hrs by liquid scintillation counter
50008077	9	ChEMBL_1861209 (CHEMBL4362065)	Inhibition of recombinant human MAOB using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition and measured after 20 mins by fluorescence spectrophotometry
50008078	1	ChEMBL_1861350 (CHEMBL4362206)	Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008078	2	ChEMBL_1861348 (CHEMBL4362204)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008078	3	ChEMBL_1861349 (CHEMBL4362205)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008080	1	ChEMBL_1861352 (CHEMBL4362208)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using FAM-22 peptide as substrate incubated for 10 mins followed by substrate addition by caliper method
50008080	2	ChEMBL_1861351 (CHEMBL4362207)	Inhibition of N-terminal GST-tagged human VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system using FAM-22 peptide as substrate incubated for 10 mins followed by substrate addition by caliper method
50008083	1	ChEMBL_1861378 (CHEMBL4362234)	Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008083	2	ChEMBL_1861379 (CHEMBL4362235)	Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008083	3	ChEMBL_1861380 (CHEMBL4362236)	Inhibition of recombinant human CA12 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008083	4	ChEMBL_1861377 (CHEMBL4362233)	Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008084	1	ChEMBL_1861463 (CHEMBL4362319)	Inhibition of BLK (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scintillation counting method
50008084	2	ChEMBL_1861461 (CHEMBL4362317)	Inhibition of recombinant full length N-terminal His6 tagged human FYN expressed in baculovirus infected sf21 cells using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP by scintillation counting method
50008084	3	ChEMBL_1861462 (CHEMBL4362318)	Inhibition of LYN (unknown origin) using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]ATP as substrate in presence of [gamma33P]ATP by scintillation counting method
50008086	1	ChEMBL_1861479 (CHEMBL4362335)	Inhibition of TrxR in human SH-SY5Y cells using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by Ellman's method
50008086	2	ChEMBL_1861480 (CHEMBL4362336)	Inhibition of rat TrxR1 using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by Ellman's method
50008086	3	ChEMBL_1861481 (CHEMBL4362337)	Inhibition of TrxR1 (unknown origin) using DTNB as substrate preincubated for 30 mins in presence of insulin followed by substrate addition by colorimetry
50008087	1	ChEMBL_1861503 (CHEMBL4362359)	Inhibition of recombinant mouse wild-type NAMPT expressed in bacterial expression system using PRPP as substrate in presence of mouse NMNAT-3 measured for 1 hr by fluorescence assay
50008089	1	ChEMBL_1861555 (CHEMBL4362411)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008089	2	ChEMBL_1861557 (CHEMBL4362413)	Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008089	3	ChEMBL_1861558 (CHEMBL4362414)	Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008089	4	ChEMBL_1861556 (CHEMBL4362412)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008089	5	ChEMBL_1861559 (CHEMBL4362415)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008090	1	ChEMBL_1861568 (CHEMBL4362424)	Binding affinity to amyloid beta 1 to 42 (unknown origin) in PBS buffer at pH 7.4 assessed as binding constant by fluorescence based assay
50008090	2	ChEMBL_1861576 (CHEMBL4362432)	Inhibition of amyloid beta 1 to 42 aggregation in human SH-SY5Y cells incubated for 48 hrs by fluorescence microscopy
50008093	1	ChEMBL_1861611 (CHEMBL4362467)	Inhibition of CYP2D6 (unknown origin)
50008093	2	ChEMBL_1861614 (CHEMBL4362470)	Inhibition of CYP2C19 (unknown origin)
50008093	3	ChEMBL_1861610 (CHEMBL4362466)	Inhibition of CYP1A2 (unknown origin)
50008093	4	ChEMBL_1861612 (CHEMBL4362468)	Inhibition of CYP3A4 (unknown origin)
50008093	5	ChEMBL_1861615 (CHEMBL4362471)	Inhibition of human ERG transfected in HEK293 cells by whole-cell patch clamp method
50008093	6	ChEMBL_1861613 (CHEMBL4362469)	Inhibition of CYP2C9 (unknown origin)
50008094	1	ChEMBL_1861675 (CHEMBL4362531)	Inhibition of N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 resiudes) expressed in baculovirus expression system using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr in presence of ATP by mobility shift assay
50008094	2	ChEMBL_1861676 (CHEMBL4362532)	Inhibition of N-terminal GST-tagged human FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system musing FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr in presence of ATP by mobility shift assay
50008095	1	ChEMBL_1861784 (CHEMBL4362640)	Inhibition of recombinant human aromatase expressed in baculovirus infected insect cells using O-benzyl fluorescein benzyl ester as substrate in presence of NADPH generating system by fluorescence based analysis
50008097	1	ChEMBL_1861936 (CHEMBL4362792)	Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay
50008097	2	ChEMBL_1861940 (CHEMBL4362796)	Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by HTRF assay
50008097	3	ChEMBL_1861945 (CHEMBL4362801)	Inhibition of human erythrocytes AChE assessed as reduction in 5-thio-2-nitrobenzoate anion formation using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50008097	4	ChEMBL_1861937 (CHEMBL4362793)	Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay
50008098	1	ChEMBL_1861960 (CHEMBL4362816)	Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cells measured after 15 mins by fluorescence polarization assay
50008098	2	ChEMBL_1861961 (CHEMBL4362817)	Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant MDMX (18 to 111 residues) expressed in Escherichia coli BL21 (DE3) cells measured after 30 mins by fluorescence polarization assay
50008100	1	ChEMBL_1861978 (CHEMBL4362834)	Agonist activity at APC-labeled biotinylated RORgammaT LBD (unknown origin) assessed as induction of biotinylated SRC-1 peptide recruitment incubated for 1 hr by dual FRET assay
50008100	2	ChEMBL_1861981 (CHEMBL4362837)	Transactivation of human GAL4-fused RORgammaT LBD expressed in human HEK293T cells incubated for 16 to 20 hrs by steady-glo luciferase assay
50008102	1	ChEMBL_1862051 (CHEMBL4362907)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template incubated for 1 hr by ELISA
50008104	1	ChEMBL_1862100 (CHEMBL4362956)	Inhibition of Trypanosoma cruzi cruzipain assessed as reduction in enzymatic activity using Z-FR-AMC fluorogenic peptide substrate incubated for 45 mins by spectrophotometry analysis
50008104	2	ChEMBL_1862088 (CHEMBL4362944)	Irreversible inhibition of Trypanosoma cruzi cruzipain
50008105	1	ChEMBL_1862183 (CHEMBL4363039)	Inhibition of His6-tagged HIV-1 reverse transcriptase RNase H using 5'-GTTTTCTTTTCCCCCCTGAC-3'-Fluorescein-labeled RNA/5'-CAAAAGAAAAGGGGGGACUG-3'-Dabcyl-labeled DNA as susbtrate incubated for 1 hr by fluorescence based assay
50008105	2	ChEMBL_1862185 (CHEMBL4363041)	Inhibition of LEDGF/p75-dependent full length HIV-1 integrase expressed in Escherichia coli BL21(DE3) cells preincubated for 1 hr further incubated for 90 mins with biotin-labeled donor DNA and target DNA by HTRF assay
50008105	3	ChEMBL_1862187 (CHEMBL4363043)	Inhibition of subunit exchanging activity of His and Flag-tagged HIV-1 integrase expressed in Escherichia coli BL21(DE3) cells after 2.5 hrs by HTRF assay
50008106	1	ChEMBL_1862193 (CHEMBL4363049)	Inhibition of recombinant human full length N-terminal GST- tagged PARP1 expressed in baculovirus infected sf9 cells using Colorimetric HRP as substrate incubated for 30 mins by UV/Vis spectrophotometer analysis
50008107	1	ChEMBL_1862239 (CHEMBL4363095)	Inhibition of recombinant human N-terminal GST-tagged VEGFR2 (805 to 1356 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 45 mins by kinase-Glo luminescent assay
50008109	1	ChEMBL_1862247 (CHEMBL4363103)	Inhibition of red kidney bean PAP using pNPP as substrate
50008109	2	ChEMBL_1862249 (CHEMBL4363105)	Competitive inhibition of red kidney bean PAP using varying levels of pNPP as substrate measured at pH 6.2 by UV-vis spectrophotometric analysis
50008111	1	ChEMBL_1862257 (CHEMBL4363113)	Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fluo-4 dye based FLIPR assay
50008111	2	ChEMBL_1862254 (CHEMBL4363110)	Agonist activity at recombinant human 5HT2B receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fluo-4 dye based FLIPR assay
50008111	3	ChEMBL_1862251 (CHEMBL4363107)	Agonist activity at recombinant human unedited 5HT2C receptor isoform INI expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fluo-4 dye based FLIPR assay
50008112	1	ChEMBL_1862265 (CHEMBL4363121)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA
50008112	2	ChEMBL_1862266 (CHEMBL4363122)	Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA
50008112	3	ChEMBL_1862326 (CHEMBL4363182)	Inhibition of COX2 (unknown origin)
50008112	4	ChEMBL_1862325 (CHEMBL4363181)	Inhibition of COX1 (unknown origin)
50008113	1	ChEMBL_1862334 (CHEMBL4363190)	Inhibition of PI3Kgamma (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay
50008113	2	ChEMBL_1862335 (CHEMBL4363191)	Inhibition of PI3Kdelta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay
50008113	3	ChEMBL_1862332 (CHEMBL4363188)	Inhibition of PI3Kalpha (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay
50008113	4	ChEMBL_1862337 (CHEMBL4363193)	Inhibition of mTOR (unknown origin)
50008113	5	ChEMBL_1862333 (CHEMBL4363189)	Inhibition of PI3Kbeta (unknown origin) using diC8-PI(4,5)P2 as substrate incubated for 3 hrs in presence of ATP by fluorescence polarization assay
50008115	1	ChEMBL_1862494 (CHEMBL4363350)	Inhibition of human dihydrofolate reductase using dihydrofolic acid as substrate preincubated for 1 hr in presence of NADPH followed by substrate addition by enzyme immunoassay
50008115	2	ChEMBL_1862497 (CHEMBL4363353)	Inhibition of human dihydrofolate reductase assessed as inhibition constant by UV-Vis spectra based Benesi Hilebrand equation analysis
50008116	1	ChEMBL_1862504 (CHEMBL4363360)	Binding affinity to human recombinant BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay
50008116	2	ChEMBL_1862505 (CHEMBL4363361)	Binding affinity to human recombinant BRD4 BD2 (333 to 460 residues) by fluorescence polarization assay
50008116	3	ChEMBL_1862507 (CHEMBL4363363)	Binding affinity to human recombinant BRD3 BD2 (306 to 417 residues) by fluorescence polarization assay
50008116	4	ChEMBL_1862508 (CHEMBL4363364)	Binding affinity to human recombinant BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay
50008116	5	ChEMBL_1862519 (CHEMBL4363375)	Binding affinity to human partial length BRD4 BD2 isoform long (K333 to E460 residues) expressed in bacterial expression system by bromoscan assay
50008116	6	ChEMBL_1862506 (CHEMBL4363362)	Binding affinity to human recombinant BRD3 BD1 (24 to 144 residues) by fluorescence polarization assay
50008116	7	ChEMBL_1862509 (CHEMBL4363365)	Binding affinity to human recombinant BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay
50008116	8	ChEMBL_1862514 (CHEMBL4363370)	Binding affinity to human partial length BRD2 BD1 isoform 1 (K71 to N194 residues) expressed in bacterial expression system by bromoscan assay
50008116	9	ChEMBL_1862516 (CHEMBL4363372)	Binding affinity to human partial length BRD3 BD1 (P24 to E144 residues) expressed in bacterial expression system by bromoscan assay
50008116	10	ChEMBL_1862517 (CHEMBL4363373)	Binding affinity to human partial length BRD3 BD2 (G306 to P416 residues) expressed in bacterial expression system by bromoscan assay
50008116	11	ChEMBL_1862521 (CHEMBL4363377)	Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system by bromoscan assay
50008116	12	ChEMBL_1862520 (CHEMBL4363376)	Binding affinity to human partial length BRDT bromodomain 1 isoform b (N21 to E137 residues) expressed in bacterial expression system by bromoscan assay
50008116	13	ChEMBL_1862515 (CHEMBL4363371)	Binding affinity to human partial length BRD2 BD2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by bromoscan assay
50008116	14	ChEMBL_1862518 (CHEMBL4363374)	Binding affinity to human partial length BRD4 BD1 isoform long (N44 to E168 residues) expressed in bacterial expression system by bromoscan assay
50008117	1	ChEMBL_1862691 (CHEMBL4363547)	Inhibition of human carbonic anhydrase 1 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay
50008117	2	ChEMBL_1862692 (CHEMBL4363548)	Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay
50008117	3	ChEMBL_1862694 (CHEMBL4363550)	Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay
50008117	4	ChEMBL_1862693 (CHEMBL4363549)	Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay
50008119	1	ChEMBL_1862728 (CHEMBL4363584)	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008119	2	ChEMBL_1862729 (CHEMBL4363585)	Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008119	3	ChEMBL_1862727 (CHEMBL4363583)	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008119	4	ChEMBL_1862730 (CHEMBL4363586)	Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008120	1	ChEMBL_1862772 (CHEMBL4363628)	Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 60 mins by fluorescence assay
50008121	1	ChEMBL_1862780 (CHEMBL4363636)	Binding affinity to recombinant human N-terminal GST-tagged CBX7 (1 to 62 residues) expressed in Escherichia coli BL2 by SPR analysis
50008121	2	ChEMBL_1862774 (CHEMBL4363630)	Binding affinity to recombinant human N-terminal GST-tagged CDYL (1 to 60 residues) expressed in Escherichia coli BL2 by SPR analysis
50008121	3	ChEMBL_1862778 (CHEMBL4363634)	Binding affinity to recombinant human N-terminal GST-tagged CDYL2 (1 to 70 residues) expressed in Escherichia coli BL2 by SPR analysis
50008121	4	ChEMBL_1862779 (CHEMBL4363635)	Binding affinity to recombinant human N-terminal GST-tagged CDY1 (1 to 65 residues) expressed in Escherichia coli BL2 by SPR analysis
50008121	5	ChEMBL_1862806 (CHEMBL4363662)	Binding affinity to CDYL chromodomain (unknown origin) by isothermal titration calorimetry
50008122	1	ChEMBL_1862812 (CHEMBL4363668)	Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye based fluorescence assay
50008122	2	ChEMBL_1862816 (CHEMBL4363672)	Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 30 mins by Hoechst 33342 dye based fluorescence assay
50008122	3	ChEMBL_1862813 (CHEMBL4363669)	Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye based fluorescence assay
50008125	1	ChEMBL_1862889 (CHEMBL4363745)	Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GTP by DAPI staining based fluorescence assay
50008127	1	ChEMBL_1862983 (CHEMBL4363839)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 352.31 +/- 10.9 nM)
50008127	2	ChEMBL_1862987 (CHEMBL4363843)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of irinotecan-induced cytotoxicity by measuring irinotecan IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 49.2 +/- 0.46 nM)
50008127	3	ChEMBL_1862986 (CHEMBL4363842)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of irinotecan-induced cytotoxicity by measuring irinotecan IC50 at 5 uM after 72 hrs by MTT assay (Rvb = 49.2 +/- 0.46 nM)
50008127	4	ChEMBL_1862985 (CHEMBL4363841)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM after 72 hrs by MTT assay (Rvb = 2.92 +/- 0.31 nM)
50008127	5	ChEMBL_1862982 (CHEMBL4363838)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM after 72 hrs by MTT assay (Rvb = 352.31 +/- 10.9 nM)
50008127	6	ChEMBL_1862984 (CHEMBL4363840)	Reversal of P-gp-mediated multidrug resistance in human KBV cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM after 72 hrs by MTT assay (Rvb = 2.92 +/- 0.31 nM)
50008128	1	ChEMBL_1863003 (CHEMBL4363859)	Inhibition of recombinant human HDAC6 using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50008128	2	ChEMBL_1863005 (CHEMBL4363861)	Inhibition of HDAC8 (unknown origin)
50008128	3	ChEMBL_1863001 (CHEMBL4363857)	Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50008128	4	ChEMBL_1863002 (CHEMBL4363858)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50008128	5	ChEMBL_1863000 (CHEMBL4363856)	Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50008128	6	ChEMBL_1863004 (CHEMBL4363860)	Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 240 mins by fluorescence based assay
50008129	1	ChEMBL_1863015 (CHEMBL4363871)	Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry
50008129	2	ChEMBL_1863014 (CHEMBL4363870)	Inhibition of recombinant human NQO2 expressed in Escherichia coli BL21 (DE3) using DCPIP as substrate
50008129	3	ChEMBL_1863016 (CHEMBL4363872)	Inhibition of recombinant human NQO1 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry
50008129	4	ChEMBL_1863024 (CHEMBL4363880)	Inhibition of NQO2 in human SKOV3 cells assessed as reduction in cell viability in presence of 1 uM CB1954 and EPR incubated for 24 hrs measured after 72 hrs by MTT assay
50008130	1	ChEMBL_1863028 (CHEMBL4363884)	Inhibition of gamma-secretase in human H4 cells expressing human APP695 assessed as decrease in amyloid beta 42 production by electrochemiluminescence assay
50008131	1	ChEMBL_1863035 (CHEMBL4363891)	Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization incubated with EC20 ACh for 140 secs and subsequent EC80 Ach addition further incubated for 120 secs by Fluo-4-AM dye based fluorescence assay
50008131	2	ChEMBL_1863037 (CHEMBL4363893)	Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization incubated with EC20 ACh for 140 secs and subsequent EC80 Ach addition further incubated for 120 secs by Fluo-4-AM dye based fluorescence assay
50008132	1	ChEMBL_1863046 (CHEMBL4363902)	Inhibition of human mTOR measured after 30 mins in presence of ATP by Lanthascreen TR-FRET assay
50008132	2	ChEMBL_1863047 (CHEMBL4363903)	Inhibition of PI3K alpha (unknown origin)
50008134	1	ChEMBL_1863141 (CHEMBL4363997)	Displacement of fluormone PPAR green tracer ligand from recombinant GST-tagged PPARgamma ligand binding domain (unknown origin) incubated for 4 hrs by competitive fluorescence polarization binding assay
50008135	1	ChEMBL_1863174 (CHEMBL4364030)	Inhibition of CYP2C9 (unknown origin)
50008135	2	ChEMBL_1863178 (CHEMBL4364034)	Inhibition of human ERG
50008135	3	ChEMBL_1863173 (CHEMBL4364029)	Inhibition of CYP1A2 (unknown origin)
50008135	4	ChEMBL_1863175 (CHEMBL4364031)	Inhibition of CYP2C19 (unknown origin)
50008135	5	ChEMBL_1863176 (CHEMBL4364032)	Inhibition of CYP2D6 (unknown origin)
50008135	6	ChEMBL_1863177 (CHEMBL4364033)	Inhibition of CYP3A4 (unknown origin)
50008136	1	ChEMBL_1863212 (CHEMBL4364068)	Inhibition of human recombinant MBP-tagged FAAH expressed in Escherichia coli cells using AAMCA as substrate incubated for 15 mins followed by substrate addition and measured after every 20 mins for 4 hrs by fluorescence based assay
50008136	2	ChEMBL_1863214 (CHEMBL4364070)	Inhibition of human recombinant His-tagged MGL expressed in Escherichia coli BL21 DE3 cells using AHMMCE as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after every 15 mins for 3 hrs by fluorescence based assay
50008136	3	ChEMBL_1863213 (CHEMBL4364069)	Inhibition of rat recombinant His/GST-tagged FAAH expressed in Escherichia coli cells using AAMCA as substrate incubated for 15 mins followed by substrate addition and measured after every 20 mins for 4 hrs by fluorescence based assay
50008137	1	ChEMBL_1863252 (CHEMBL4364108)	Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells incubated for 90 mins by fluorescence polarization assay
50008137	2	ChEMBL_1863253 (CHEMBL4364109)	Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chymotrypsin addition and further incubation for 4 mins followed by substrate addition
50008137	3	ChEMBL_1863250 (CHEMBL4364106)	Binding affinity to CypD (unknown origin) assessed as dissociation constant by SPR analysis
50008141	1	ChEMBL_1863301 (CHEMBL4364157)	Inhibition of strep-tagged and His-tagged full length MALT1 protease (1 to 824 residues) (unknown origin) expressed in baculovirus infected insect cells using AMC-coupled tetrapeptide LRSR as substrate incubated for 50 mins followed by substrate addition and measured after 4 hrs by fluorescence based assay
50008141	2	ChEMBL_1863311 (CHEMBL4364167)	Inhibition of strep-tagged and His-tagged full length MALT1 protease E397A mutant (1 to 824 residues) (unknown origin) expressed in baculovirus infected insect cells using AMC-coupled tetrapeptide LRSR as substrate incubated for 50 mins followed by substrate addition and measured after 4 hrs by fluorescence based assay
50008141	3	ChEMBL_1863312 (CHEMBL4364168)	Inhibition of MALT1 protease in human TMD8 cells assessed as reduction in IL6 level incubated for 24 hrs by mesoscale assay kit method
50008141	4	ChEMBL_1863314 (CHEMBL4364170)	Inhibition of MALT1-mediated T cell activation in human Jurkat cells assessed in decrease in PMA/ionomycin-induced IL2 production
50008141	5	ChEMBL_1863310 (CHEMBL4364166)	Non-competitive inhibition of strep-tagged and His-tagged full length MALT1 protease (1 to 824 residues) (unknown origin) expressed in baculovirus infected insect cells assessed as inhibitory constant using AMC-coupled tetrapeptide LRSR as substrate incubated for 50 mins followed by substrate addition and measured after 4 hrs by fluorescence based assay
50008141	6	ChEMBL_1863313 (CHEMBL4364169)	Inhibition of MALT1 protease in human TMD8 cells assessed as reduction in IL10 level incubated for 24 hrs by mesoscale assay kit method
50008141	7	ChEMBL_1863315 (CHEMBL4364171)	Inhibition of MALT1 in human OCI-LY3 cells assessed as reduction in Rel-b cleavage
50008142	1	ChEMBL_1863380 (CHEMBL4364236)	Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after 90 mins by FRET assay
50008146	1	ChEMBL_1863402 (CHEMBL4364377)	Inhibition of CYP1A2 (unknown origin)
50008146	2	ChEMBL_1863409 (CHEMBL4364384)	Positive allosteric modulatory activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of acetylcholine response at -70 mV holding potential preincubated for 30 secs followed by co-application with acetylcholine by manual patch clamp assay
50008146	3	ChEMBL_1863399 (CHEMBL4364374)	Inhibition of CYP3A4 (unknown origin)
50008146	4	ChEMBL_1863401 (CHEMBL4364376)	Inhibition of CYP2D6 (unknown origin)
50008146	5	ChEMBL_1863412 (CHEMBL4364387)	Inhibition of CYP2C19 (unknown origin)
50008146	6	ChEMBL_1863400 (CHEMBL4364375)	Inhibition of CYP2C9 (unknown origin)
50008147	1	ChEMBL_1863417 (CHEMBL4364392)	Binding affinity to TBK1 in human Ramos cell lysate incubated for 45 mins by kinobeads based assay
50008147	2	ChEMBL_1863414 (CHEMBL4364389)	Binding affinity to TBK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay
50008147	3	ChEMBL_1863435 (CHEMBL4364410)	Binding affinity to ST17B in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay
50008147	4	ChEMBL_1863439 (CHEMBL4364414)	Inhibition of TBK1 in human Ramos cells assessed as decrease in poly(I:C)-stimulated IRF3 phosphorylation at Ser396 residue preincubated for 60 mins followed by poly(I:C) addition and measured after 120 mins by Western blot analysis
50008147	5	ChEMBL_1863440 (CHEMBL4364415)	Inhibition of TBK1 in TLR3-stimulated human PBMC assessed as decrease in poly(I:C)-induced IFNalpha secretion preincubated for 1 hr followed by poly(I:C) addition and measured after 16 hrs by FACS based cytometric bead array method
50008147	6	ChEMBL_1863442 (CHEMBL4364417)	Inhibition of TBK1 in human THP1 cells assessed as decrease in baculovirus-stimulated IFNbeta secretion preincubated for 45 mins followed by virus addition and measured after 20 hrs by electrochemiluminescence method
50008147	7	ChEMBL_1863445 (CHEMBL4364420)	Binding affinity to IKKepsilon in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay
50008147	8	ChEMBL_1863416 (CHEMBL4364391)	Binding affinity to phosphorylated TBK1 in calyculin A stimulated human Ramos cell lysate incubated for 45 mins by kinobeads based assay
50008147	9	ChEMBL_1863437 (CHEMBL4364412)	Inhibition of recombinant human TBK1 using MBP as substrate in presence of gamma-33P]-ATP by Hotspot assay
50008147	10	ChEMBL_1863443 (CHEMBL4364418)	Inhibition of TBK1 in human THP1 cells assessed as decrease in c-GAMP stimulated IFNbeta secretion preincubated for 45 mins followed by c-GAMP addition and measured after 20 hrs by electrochemiluminescence method
50008147	11	ChEMBL_1863436 (CHEMBL4364411)	Binding affinity to PI4KB in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by lipid-kinobeads based assay
50008147	12	ChEMBL_1863431 (CHEMBL4364406)	Binding affinity to AAK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay
50008149	1	ChEMBL_1863470 (CHEMBL4364445)	Inhibition of ABL Q252H mutant (unknown origin)
50008149	2	ChEMBL_1863471 (CHEMBL4364446)	Inhibition of ABL Y253F mutant (unknown origin)
50008149	3	ChEMBL_1863509 (CHEMBL4364484)	Inhibition of ABL T315I mutant (unknown origin)
50008149	4	ChEMBL_1863508 (CHEMBL4364483)	Inhibition of Wild type ABL (unknown origin)
50008150	1	ChEMBL_1863602 (CHEMBL4364577)	Inhibition of influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 in using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by fluorescence based assay
50008150	2	ChEMBL_1863603 (CHEMBL4364578)	Inhibition of influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 by using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by fluorescence based assay
50008151	1	ChEMBL_1863749 (CHEMBL4364724)	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50008151	2	ChEMBL_1863754 (CHEMBL4364729)	Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50008151	3	ChEMBL_1863752 (CHEMBL4364727)	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis
50008152	1	ChEMBL_1863765 (CHEMBL4364740)	Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	2	ChEMBL_1863770 (CHEMBL4364745)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC5 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	3	ChEMBL_1863775 (CHEMBL4364750)	Inhibition of recombinant full length human HDAC11 expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	4	ChEMBL_1863766 (CHEMBL4364741)	Inhibition of recombinant full length human HDAC2 expressed in sf9 insect cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	5	ChEMBL_1863767 (CHEMBL4364742)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	6	ChEMBL_1863768 (CHEMBL4364743)	Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected in Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	7	ChEMBL_1863769 (CHEMBL4364744)	Inhibition of recombinant full length human HDAC4 expressed in sf9 insect cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	8	ChEMBL_1863771 (CHEMBL4364746)	Inhibition of recombinant N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	9	ChEMBL_1863772 (CHEMBL4364747)	Inhibition of recombinant C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	10	ChEMBL_1863773 (CHEMBL4364748)	Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008152	11	ChEMBL_1863774 (CHEMBL4364749)	Inhibition of recombinant N-terminal FLAG-tagged human HDAC10 (2 to 631 residues) expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate after 1 hr by fluorescence assay
50008155	1	ChEMBL_1863858 (CHEMBL4364833)	Inhibition of recombinant human N-terminal His-tagged ALK expressed in baculovirus expression system using polyGlu4:Tyr peptide as substrate incubated for 1 hr by kinase-Glo plus assay
50008156	1	ChEMBL_1863868 (CHEMBL4364843)	Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate
50008156	2	ChEMBL_1863867 (CHEMBL4364842)	Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate
50008157	1	ChEMBL_1864030 (CHEMBL4365005)	Displacement of [3H]prazosin from recombinant human alpha 1A adrenoceptor after 60 mins by scintillation counting analysis
50008157	2	ChEMBL_1864035 (CHEMBL4365010)	Displacement of [3H]WIN55212-2 from recombinant human CB2 receptor after 120 mins by scintillation counting analysis
50008157	3	ChEMBL_1864039 (CHEMBL4365014)	Displacement of [125I]endothelin-1 from recombinant human ETA receptor after 120 mins by scintillation counting analysis
50008157	4	ChEMBL_1864045 (CHEMBL4365020)	Displacement of [3H]DADLE from recombinant human DOR after 60 mins by scintillation counting analysis
50008157	5	ChEMBL_1864050 (CHEMBL4365025)	Displacement of [125I](+/-)DOI from recombinant human 5HT2A receptor after 60 mins by scintillation counting analysis
50008157	6	ChEMBL_1864054 (CHEMBL4365029)	Displacement of [3H]nisoxetine from recombinant human norepinephrine transporter after 120 mins by scintillation counting analysis
50008157	7	ChEMBL_1864008 (CHEMBL4364983)	Displacement of [3H]astemizole from human ERG measured after 60 mins by scintillation counting
50008157	8	ChEMBL_1864065 (CHEMBL4365040)	Displacement of [3H]dexamethasone from recombinant human GR after 360 mins by scintillation counting analysis
50008157	9	ChEMBL_1864060 (CHEMBL4365035)	Displacement of [3H]nitrendipine from rat brain Cav1.2 dihydropyridine site after 90 mins by scintillation counting analysis
50008157	10	ChEMBL_1863999 (CHEMBL4364974)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes
50008157	11	ChEMBL_1864000 (CHEMBL4364975)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes
50008157	12	ChEMBL_1864029 (CHEMBL4365004)	Displacement of [3H]CGS21680 from recombinant human adenosine A2A receptor after 120 mins by scintillation counting analysis
50008157	13	ChEMBL_1864031 (CHEMBL4365006)	Displacement of [3H]RX 821002 from recombinant human alpha 2A adrenoceptor after 60 mins by scintillation counting analysis
50008157	14	ChEMBL_1864033 (CHEMBL4365008)	Displacement of [3H](-)CGP12177 from recombinant human beta2 adrenergic receptor after 120 mins by scintillation counting analysis
50008157	15	ChEMBL_1864034 (CHEMBL4365009)	Displacement of [3H]CP55940 from recombinant human CB1 receptor after 30 mins by scintillation counting analysis
50008157	16	ChEMBL_1864036 (CHEMBL4365011)	Displacement of [125I]CCK-8s from recombinant human CCK1 receptor after 60 mins by scintillation counting analysis
50008157	17	ChEMBL_1864037 (CHEMBL4365012)	Displacement of [3H]SCH23390 from recombinant human D1 receptor after 60 mins by scintillation counting analysis
50008157	18	ChEMBL_1864038 (CHEMBL4365013)	Displacement of [3H]7-OH-DPAT from recombinant human D2s receptor after 60 mins by scintillation counting analysis
50008157	19	ChEMBL_1864041 (CHEMBL4365016)	Displacement of [125I]APT from recombinant human H2 receptor after 120 mins by scintillation counting analysis
50008157	20	ChEMBL_1864042 (CHEMBL4365017)	Displacement of [3H]pirenzepine from recombinant human M1 receptor after 60 mins by scintillation counting analysis
50008157	21	ChEMBL_1864043 (CHEMBL4365018)	Displacement of [3H]AF-DX 384 from recombinant human M2 receptor after 60 mins by scintillation counting analysis
50008157	22	ChEMBL_1864044 (CHEMBL4365019)	Displacement of [3H]4-DAMP from recombinant human M3 receptor after 60 mins by scintillation counting analysis
50008157	23	ChEMBL_1864046 (CHEMBL4365021)	Displacement of [3H]U69593 from recombinant human KOR after 60 mins by scintillation counting analysis
50008157	24	ChEMBL_1864048 (CHEMBL4365023)	Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A after 60 mins by scintillation counting analysis
50008157	25	ChEMBL_1864049 (CHEMBL4365024)	Displacement of [3H]GR125743 from recombinant human 5HT1B after 60 mins by scintillation counting analysis
50008157	26	ChEMBL_1864051 (CHEMBL4365026)	Displacement of [125I](+/-)DOI from recombinant human 5HT2B receptor after 60 mins by scintillation counting analysis
50008157	27	ChEMBL_1864052 (CHEMBL4365027)	Displacement of [3H]AVP from recombinant human V1A receptor after 60 mins by scintillation counting analysis
50008157	28	ChEMBL_1864053 (CHEMBL4365028)	Displacement of [3H]BTCP from recombinant human dopamine transporter after 120 mins by scintillation counting analysis
50008157	29	ChEMBL_1864058 (CHEMBL4365033)	Displacement of [3H]cytisine from recombinant human alpha4beta2 nAChR after 120 mins by scintillation counting analysis
50008157	30	ChEMBL_1864059 (CHEMBL4365034)	Displacement of [3H]BRL43694 from recombinant human 5HT3 receptor after 120 mins by scintillation counting analysis
50008157	31	ChEMBL_1864061 (CHEMBL4365036)	Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting analysis
50008157	32	ChEMBL_1864064 (CHEMBL4365039)	Displacement of [3H]methyltrienolone from recombinant human AR after 1440 mins by scintillation counting analysis
50008157	33	ChEMBL_1864066 (CHEMBL4365041)	Activity at recombinant human LCK using Ulight-Poly GAT[EAY(1:1:1)]n as substrate measured after 10 mins by LANCE assay
50008157	34	ChEMBL_1864067 (CHEMBL4365042)	Activity at human recombinant COX1 using arachidonic acid as substrate measured after 3 mins by ADHP reagent based fluorescence assay
50008157	35	ChEMBL_1864068 (CHEMBL4365043)	Activity at human recombinant COX2 using arachidonic acid as substrate measured after 5 mins by ADHP reagent based fluorescence assay
50008157	36	ChEMBL_1864069 (CHEMBL4365044)	Activity at human recombinant ACHE using acetylthiocholine as substrate measured after 30 mins by spectrophotometric assay
50008157	37	ChEMBL_1864070 (CHEMBL4365045)	Displacement of [3H]Ro41-1049 from rat brain MAOA after 60 mins by scintillation counting analysis
50008157	38	ChEMBL_1864071 (CHEMBL4365046)	Activity at human recombinant PDE3A using [3H]cAMP as substrate measured after 15 mins by scintillation counting analysis
50008157	39	ChEMBL_1864072 (CHEMBL4365047)	Activity at human recombinant PDE4D2 using [3H]cAMP as substrate measured after 20 mins by scintillation counting analysis
50008157	40	ChEMBL_1863998 (CHEMBL4364973)	Inverse agonist activity at human CB1 receptor expressed in CHOK1 cells co-expressing Galphaq16 assessed as reduction in CP55940-induced intracellular calcium mobilization by calcein-4 AM dye based fluorescence assay
50008157	41	ChEMBL_1864032 (CHEMBL4365007)	Displacement of [3H](-)CGP12177 from recombinant human beta1 adrenergic receptor after 60 mins by scintillation counting analysis
50008157	42	ChEMBL_1864047 (CHEMBL4365022)	Displacement of [3H]DAMGO from recombinant human MOR after 120 mins by scintillation counting analysis
50008157	43	ChEMBL_1864055 (CHEMBL4365030)	Displacement of [3H]imipramine from recombinant human serotonin transporter after 120 mins by scintillation counting analysis
50008157	44	ChEMBL_1864040 (CHEMBL4365015)	Displacement of [3H]pyrilamine from recombinant human H1 receptor after 60 mins by scintillation counting analysis
50008158	1	ChEMBL_1864114 (CHEMBL4365089)	Inhibition of wild type BCR/ABL (unknown origin) measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008158	2	ChEMBL_1864115 (CHEMBL4365090)	Inhibition of BCR/ABL T315I mutant (unknown origin) measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008158	3	ChEMBL_1864113 (CHEMBL4365088)	Inhibition of human recombinant full length N-terminal GST tagged SRC expressed in Escherichia coli using KVEKIGEGTYGVVYK-amide as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008158	4	ChEMBL_1864117 (CHEMBL4365092)	Inhibition of human recombinant N-terminal GST tagged HCK (230 to 497 residues) expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008158	5	ChEMBL_1864118 (CHEMBL4365093)	Inhibition of human recombinant full length N-terminal GST tagged p38alpha expressed in baculovirus infected Sf9 cells using p38 peptide as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50008159	1	ChEMBL_1864127 (CHEMBL4365102)	Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins
50008159	2	ChEMBL_1864126 (CHEMBL4365101)	Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's spectrophotometric method
50008159	3	ChEMBL_1864128 (CHEMBL4365103)	Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation analysis
50008159	4	ChEMBL_1864129 (CHEMBL4365104)	Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins
50008159	5	ChEMBL_1864130 (CHEMBL4365105)	Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation analysis
50008159	6	ChEMBL_1864124 (CHEMBL4365099)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's spectrophotometric method
50008160	1	ChEMBL_1864180 (CHEMBL4365155)	Partial agonist activity at human full-length FXR expressed in human HeLa cells co-expressing pSG5-RXR measured after 24 hrs by dual-glo luciferase reporter gene assay
50008161	1	ChEMBL_1864221 (CHEMBL4365196)	Inhibition of Human respiratory syncytial virus Fusion protein D489A mutant expressed in Hep2 cells as reduction in virus induced cytopathic effect by CCK-8 assay
50008161	2	ChEMBL_1864220 (CHEMBL4365195)	Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells as reduction in virus induced cytopathic effect by CCK-8 assay
50008162	1	ChEMBL_1864272 (CHEMBL4365247)	Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008162	2	ChEMBL_1864275 (CHEMBL4365250)	Antagonist activity at rat alpha3beta4 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008162	3	ChEMBL_1864281 (CHEMBL4365256)	Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008162	4	ChEMBL_1864293 (CHEMBL4365268)	Binding affinity to rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes at -70 mV holding potential by two electrode voltage-clamp assay
50008162	5	ChEMBL_1864294 (CHEMBL4365269)	Antagonist activity at rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008162	6	ChEMBL_1864270 (CHEMBL4365245)	Antagonist activity at rat alpha3beta2 nACHR expressed in Xenopus laevis oocytes by two electrode voltage-clamp assay
50008162	7	ChEMBL_1864277 (CHEMBL4365252)	Antagonist activity at rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008162	8	ChEMBL_1864295 (CHEMBL4365270)	Antagonist activity at rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008163	1	ChEMBL_1864332 (CHEMBL4365307)	Inhibition of Aurora A (unknown origin)
50008163	2	ChEMBL_1864333 (CHEMBL4365308)	Inhibition of thymidylate synthase (unknown origin)
50008163	3	ChEMBL_1864328 (CHEMBL4365303)	Inhibition of Pgp (unknown origin) expressed in MDCK cells assessed as reduction in paclitaxel transport
50008164	1	ChEMBL_1864425 (CHEMBL4365400)	Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence of ATP followed by capsaicin addition by luminescence assay
50008165	1	ChEMBL_1865055 (CHEMBL4366030)	Inhibition of ERK5 (unknown origin) using R7129 as substrate incubated for 2 hrs by IMAP fluorescence polarization analysis
50008165	2	ChEMBL_1864568 (CHEMBL4365543)	Inhibition of BRD4 (unknown origin)
50008165	3	ChEMBL_1864572 (CHEMBL4365547)	Inhibition of HA-tagged ERK5 (unknown origin) coexpressed with mutationally activated EGFP-MEK5D and Gal4-MEF2D in HEK293 cells assessed as reduction in MEF2 transcription by measuring luciferase signal after 20 hrs by luciferase reporter gene assay
50008165	4	ChEMBL_1864582 (CHEMBL4365557)	Inhibition of CYP3A4 (unknown origin)
50008165	5	ChEMBL_1864570 (CHEMBL4365545)	Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal 11 residues (13 to 448 residues) in Sf9 insect cells assessed as substrate peptide phosphorylation using (LVEPLTPSGEAPNQ(K-5FAM)-COOH as substrate incubated for 2 hrs by IMAP fluorescence polarisation assay
50008165	6	ChEMBL_1864571 (CHEMBL4365546)	Inhibition of recombinant N-terminal GST-tagged full length human p38alpha expressed in Escherichia coli cells assessed as substrate phosphorylation using Ulight-MBP peptide as substrate incubated for 1 hr by LANCE assay
50008165	7	ChEMBL_1864580 (CHEMBL4365555)	Inhibition of CYP2C9 (unknown origin)
50008165	8	ChEMBL_1864581 (CHEMBL4365556)	Inhibition of CYP2D6 (unknown origin)
50008165	9	ChEMBL_1864565 (CHEMBL4365540)	Inhibition of GST-tagged ERK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay
50008165	10	ChEMBL_1864567 (CHEMBL4365542)	Inhibition of ERK5 in human HeLa cells incubated for 15 mins prior to ATP addition by KiNativ profiling method
50008165	11	ChEMBL_1864579 (CHEMBL4365554)	Inhibition of CYP2C19 (unknown origin)
50008165	12	ChEMBL_1864566 (CHEMBL4365541)	Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay
50008165	13	ChEMBL_1864569 (CHEMBL4365544)	Inhibition of ERK5 in human HeLa cells by KiNativ profiling method
50008166	1	ChEMBL_1865096 (CHEMBL4366071)	Displacement of fluorescent Bak BH3 peptide domain from human recombinant Bax by competition fluorescence polarization assay
50008168	1	ChEMBL_1865110 (CHEMBL4366085)	Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay
50008168	2	ChEMBL_1865111 (CHEMBL4366086)	Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay
50008168	3	ChEMBL_1865114 (CHEMBL4366089)	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method
50008169	1	ChEMBL_1865158 (CHEMBL4366133)	Inhibition of human ERG
50008169	2	ChEMBL_1865147 (CHEMBL4366122)	Antagonist activity at human vasopressin V2R receptor expressed in HEK293 cells assessed as decrease in vasopressin-stimulated cAMP level treated with compound for 30 mins followed by vasopressin stinulation for 30 mins by microplate reader assay
50008169	3	ChEMBL_1865146 (CHEMBL4366121)	Antagonist activity at human vasopressin V1B receptor expressed in HEK293 cells assessed as decrease in vasopressin-stimulated calcium flux measured after 10 mins by Fluo-4 dye based microplate reader based assay
50008169	4	ChEMBL_1865145 (CHEMBL4366120)	Antagonist activity at human vasopressin V1A receptor expressed in HEK293 cells assessed as decrease in vasopressin-stimulated calcium flux measured after 10 mins by Fluo-4 dye based microplate reader based assay
50008169	5	ChEMBL_1865144 (CHEMBL4366119)	Antagonist activity at human OTR expressed in HEK293 cells assessed as decrease in calcium flux measured after 10 mins in presence of vasopressin by Fluo-4 dye based microplate reader based assay
50008169	6	ChEMBL_1865163 (CHEMBL4366138)	Inhibition of human recombinant CYP1A2
50008169	7	ChEMBL_1865164 (CHEMBL4366139)	Inhibition of human recombinant CYP2C9
50008169	8	ChEMBL_1865166 (CHEMBL4366141)	Inhibition of human recombinant CYP2D6
50008169	9	ChEMBL_1865167 (CHEMBL4366142)	Inhibition of human recombinant CYP3A4 using midazolam as substrate
50008169	10	ChEMBL_1865168 (CHEMBL4366143)	Inhibition of human recombinant CYP3A4 using testosterone as substrate
50008169	11	ChEMBL_1865165 (CHEMBL4366140)	Inhibition of human recombinant CYP2C19
50008170	1	ChEMBL_1865279 (CHEMBL4366254)	Inhibition of recombinant human full length N-terminal GST-tagged PI3Kalpha (1 to 1068 residues)/PIK3R1 (1 to 724 residues) expressed in baculovirus expression system using PIP2 as substrate incubated for 1 hr by ADP-Glo assay
50008170	2	ChEMBL_1865278 (CHEMBL4366253)	Inhibition of recombinant human full length N-terminal GST-tagged PI3Kdelta (1 to 1044 residues)/PIK3R1 (1 to 724 residues) expressed in baculovirus expression system using PIP2 as substrate incubated for 2 hrs by ADP-Glo assay
50008170	3	ChEMBL_1865277 (CHEMBL4366252)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end residues) using Ulight-4E-BP1 as substrate incubated for 30 mins by fluorescence assay
50008170	4	ChEMBL_1865268 (CHEMBL4366243)	Inhibition of recombinant human full length N-terminal DYKDDDDK-tagged PI3Kgamma (1 to 1102 residues) expressed in baculovirus expression system using PIP2 as substrate incubated for 2 hrs by ADP-Glo assay
50008170	5	ChEMBL_1865267 (CHEMBL4366242)	Inhibition of recombinant human full length N-terminal GST-tagged PI3Kbeta (1 to 1070 residues)/PIK3R1 (1 to 724 residues) expressed in baculovirus expression system using PIP2 as substrate incubated for 2 hrs by ADP-Glo assay
50008171	1	ChEMBL_1865700 (CHEMBL4366675)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate after 30 mins by spectrophotometric analysis
50008177	1	ChEMBL_1865705 (CHEMBL4366680)	Inhibition of human recombinant His-tagged cMET cytoplasmic domain expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50008177	2	ChEMBL_1865707 (CHEMBL4366682)	Inhibition of recombinant human His-tagged VEGFR2 cytoplasmic domain expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50008177	3	ChEMBL_1865706 (CHEMBL4366681)	Inhibition of HGF-induced cMET autophosphorylation in human MKN45 cells preincubated for 1 hr followed by HGF addition and measured after 10 mins by ELISA
50008178	1	ChEMBL_1865759 (CHEMBL4366734)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate measured after 30 mins by fluorescence based assay
50008178	2	ChEMBL_1865761 (CHEMBL4366736)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate measured after 30 mins by fluorescence based assay
50008178	3	ChEMBL_1865752 (CHEMBL4366727)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as susbtrate preincubated for 6 mins followed by substrate addition measured up to 3 mins by Ellman's method
50008178	4	ChEMBL_1865751 (CHEMBL4366726)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50008181	1	ChEMBL_1865791 (CHEMBL4366766)	Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand binding assay
50008181	2	ChEMBL_1865787 (CHEMBL4366762)	Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay
50008181	3	ChEMBL_1865789 (CHEMBL4366764)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 1 hr by radioligand binding assay
50008181	4	ChEMBL_1865790 (CHEMBL4366765)	Displacement of [3H]-Ketanserin from human 5-HT2A expressed in CHO-K1 cells incubated for 1.5 hrs by radioligand binding assay
50008181	5	ChEMBL_1865788 (CHEMBL4366763)	Displacement of [3H]-raclopride from human D2L receptor expressed in human HEK293 cells incubated for 1 hr by radioligand binding assay
50008182	1	ChEMBL_1865875 (CHEMBL4366850)	Inhibition of human CDK2/cyclin-A2 using H1 histone as substrate after 2 hrs by [gamma-33P]-ATP assay
50008182	2	ChEMBL_1865872 (CHEMBL4366847)	Inhibition of recombinant GST-tagged human CDK2/cyclin-E expressed in sf9 cels using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by substrate addition and measured after 25 mins in presence of ATP by TR-FRET assay
50008182	3	ChEMBL_1865874 (CHEMBL4366849)	Inhibition of human CDK9/cyclin-T1 using YSPTSPSYSPTSPSYSPTSPKKK peptide as substrate after 2 hrs by [gamma-33P]-ATP assay
50008182	4	ChEMBL_1865871 (CHEMBL4366846)	Inhibition of recombinant full length His-tagged human CDK9/cyclin-T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by substrate addition and measured after 25 mins in presence of ATP by TR-FRET assay
50008182	5	ChEMBL_1865873 (CHEMBL4366848)	Inhibition of human recombinant N-terminal GST-tagged CDK9 (2 to 372 residues)/N-terminal GST-tagged cyclin-T1 (2 to 726 residues) expressed in baculovirus infected Sf9 insect cells using peptide as substrate after 40 mins in presence of gamma-[32]P-ATP by scintillation counting analysis
50008183	1	ChEMBL_1865881 (CHEMBL4366856)	Inhibition of recombinant human COX-2 assessed as reduction in prostaglandin production preincubated for 10 mins followed by arachidonic acid addition and measured after 2 mins by EIA method
50008183	2	ChEMBL_1865880 (CHEMBL4366855)	Inhibition of ovine COX-1 assessed as reduction in prostaglandin production preincubated for 10 mins followed by arachidonic acid addition and measured after 2 mins by EIA method
50008184	1	ChEMBL_1865913 (CHEMBL4366888)	Inhibition of FAM-probe binding to Menin (unknown origin) after 60 mins by fluorescence polarization competitive binding assay
50008184	2	ChEMBL_1865911 (CHEMBL4366886)	Binding affinity to human Menin expressed in Escherichia coli Rosetta2 (DE3) cells by isothermal titration calorimetry
50008184	3	ChEMBL_1865915 (CHEMBL4366890)	Binding affinity to biotinylated Menin (unknown origin) by biolayer interferometry assay
50008184	4	ChEMBL_1865912 (CHEMBL4366887)	Inhibition of fluorescent probe binding to Menin (2 to 610 residues containing deletion from 460-519) (unknown origin) after 60 mins by fluorescence polarization competitive binding assay
50008185	1	ChEMBL_1866003 (CHEMBL4366978)	Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay
50008187	1	ChEMBL_1866115 (CHEMBL4367090)	Inhibition of human recombinant N-terminal GST/His6-tagged BRAF V600E mutant (Q417 to H766 residues) expressed in Sf9 insect cells using MEK1 as substrate measured after 1 hr using light irradiated compound at 365 nm for 45 mins by Western blot analysis
50008187	2	ChEMBL_1866114 (CHEMBL4367089)	Inhibition of human recombinant N-terminal GST/His6-tagged BRAF V600E mutant (Q417 to H766 residues) expressed in Sf9 insect cells using MEK1 as substrate measured after 1 hr using preheated compound at 60 degC for 30 mins by Western blot analysis
50008187	3	ChEMBL_1866124 (CHEMBL4367099)	Inhibition of human recombinant BRAF V600E mutant using MEK1 as substrate measured after 1 hr by Western blot analysis
50008189	1	ChEMBL_1866207 (CHEMBL4367182)	Inhibition of recombinant human farnesyl diphosphate synthase in expressed in Escherichia coli using GPP and [1-14C]IPP as substrate incubated for 15 min by scintillation counting
50008189	2	ChEMBL_1866208 (CHEMBL4367183)	Inhibition of farnesyl diphosphate synthase in Balb/C mouse osteoclast assessed as reduction in [3H]MVL incorporation into prenylated proteins preincubated for 2 hrs followed by [3H]MVL addition and measured after 4 hrs by SDS-gel electrophoresis method
50008189	3	ChEMBL_1866162 (CHEMBL4367137)	Inhibition of farnesyl diphosphate synthase in Balb/C mouse osteoclast assessed as reduction in [3H]MVL incorporation into nonsaponifiable lipids preincubated for 2 hrs followed by [3H]MVL addition and measured after 4 hrs by SDS-gel electrophoresis method
50008189	4	ChEMBL_1866205 (CHEMBL4367180)	Inhibition of isopentenyl diphosphate isomerase in Sprague-Dawley rat liver S100 fraction preincubated for 10 min followed by MVA addition by HPLC analysis
50008189	5	ChEMBL_1866206 (CHEMBL4367181)	Inhibition of farnesyl diphosphate synthase in Sprague-Dawley rat liver S100 fraction using MVA as substrate preincubated for 10 min followed by MVA addition by HPLC analysis
50008192	1	ChEMBL_1866215 (CHEMBL4367190)	Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated for 30 mins followed by CCL22 addition and measured after 60 mins by chemoTX probe based CellTiter-Glo assay
50008192	2	ChEMBL_1866216 (CHEMBL4367191)	Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interval for 45 secs by fluorescence assay
50008192	3	ChEMBL_1866222 (CHEMBL4367197)	Inhibition of CYP2D6 (unknown origin)
50008192	4	ChEMBL_1866223 (CHEMBL4367198)	Inhibition of CYP3A4 (unknown origin)
50008192	5	ChEMBL_1866231 (CHEMBL4367206)	Antagonist activity at CCR4 in anti-CD3/CD28 stimulated mouse Treg cells assessed as inhibition of CCL22-mediated chemotaxis in presence of 100% human serum pre-incubated for 30 mins followed by CCL22 addition and measured after 60 mins by chemoTX probe based CellTiter-Glo assay
50008192	6	ChEMBL_1866220 (CHEMBL4367195)	Inhibition of CYP2C9 (unknown origin)
50008192	7	ChEMBL_1866221 (CHEMBL4367196)	Inhibition of CYP2C19 (unknown origin)
50008192	8	ChEMBL_1866219 (CHEMBL4367194)	Inhibition of CYP1A2 (unknown origin)
50008193	1	ChEMBL_1866287 (CHEMBL4367262)	Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs
50008193	2	ChEMBL_1866286 (CHEMBL4367261)	Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by spectrophotometric method
50008193	3	ChEMBL_1866289 (CHEMBL4367264)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50008193	4	ChEMBL_1866291 (CHEMBL4367266)	Inhibition of CYP1A2 (unknown origin)
50008193	5	ChEMBL_1866292 (CHEMBL4367267)	Inhibition of CYP2B6 (unknown origin)
50008193	6	ChEMBL_1866297 (CHEMBL4367272)	Inhibition of human ERG
50008193	7	ChEMBL_1866290 (CHEMBL4367265)	Inhibition of CYP2D6 (unknown origin)
50008193	8	ChEMBL_1866285 (CHEMBL4367260)	Inhibition of purified human IDO1 using varying levels of L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 1.5 to 15 mins by spectrophotometry-based Morrison equation analysis
50008193	9	ChEMBL_1866302 (CHEMBL4367277)	Inhibition of CYP2C9 (unknown origin)
50008193	10	ChEMBL_1866303 (CHEMBL4367278)	Inhibition of CYP2C19 (unknown origin)
50008193	11	ChEMBL_1866304 (CHEMBL4367279)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50008193	12	ChEMBL_1866301 (CHEMBL4367276)	Inhibition of CYP2C8 (unknown origin)
50008194	1	ChEMBL_1866424 (CHEMBL4367399)	Inhibition of human ERG (1159 residues) expressed in CHOK1 cells at -80 mV holding potential measured after 5 mins by QPatch electrophysiology method
50008194	2	ChEMBL_1866470 (CHEMBL4367445)	Inhibition of TLR9 in human monocytes assessed as reduction in CpG-ODN-induced IL8 production
50008194	3	ChEMBL_1866460 (CHEMBL4367435)	Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured after 10 mins by fluorescence polarization assay
50008194	4	ChEMBL_1866462 (CHEMBL4367437)	Inhibition of recombinant human full-length FLAG/His-tagged RIP2 measured after 2 hrs by ADP-Glo luminescence assay
50008194	5	ChEMBL_1866464 (CHEMBL4367439)	Inhibition of NOD2 in human monocytes assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulation and measured after 6 hrs by immunoassay
50008194	6	ChEMBL_1866465 (CHEMBL4367440)	Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulation and measured after 6 hrs by immunoassay
50008194	7	ChEMBL_1866467 (CHEMBL4367442)	Inhibition of IL1R in human monocytes assessed as reduction in IL1beta-induced TNFalpha production
50008194	8	ChEMBL_1866469 (CHEMBL4367444)	Inhibition of TLR7 in human monocytes assessed as reduction in gardiquimod-induced IL8 production
50008194	9	ChEMBL_1866463 (CHEMBL4367438)	Inhibition of human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced IL8 production measured after 22 hrs by HTRF fluorescence assay
50008194	10	ChEMBL_1866471 (CHEMBL4367446)	Inhibition of TLR2 in HEK293 cells assessed as reduction in Pam2CSK4-induced IL8 production
50008194	11	ChEMBL_1866461 (CHEMBL4367436)	Inhibition of fluorescent-labelled ligand binding to rat RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured after 10 mins by fluorescence polarization assay
50008194	12	ChEMBL_1866468 (CHEMBL4367443)	Inhibition of TLR4 in human monocytes assessed as reduction in LPS-induced TNFalpha production
50008194	13	ChEMBL_1866425 (CHEMBL4367400)	Inhibition of CYP3A4 (unknown origin)
50008196	1	ChEMBL_1866543 (CHEMBL4367518)	Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay
50008196	2	ChEMBL_1866545 (CHEMBL4367520)	Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP accumulation after 60 mins by HTR-FRET assay
50008196	3	ChEMBL_1866544 (CHEMBL4367519)	Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation in presence of 3-isobutyl-1-methylxanthine after 20 mins
50008198	1	ChEMBL_1866559 (CHEMBL4367534)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	2	ChEMBL_1866561 (CHEMBL4367536)	Binding affinity to C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) by isothermal calorimetric titration method
50008198	3	ChEMBL_1866565 (CHEMBL4367540)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R442A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	4	ChEMBL_1866554 (CHEMBL4367529)	Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as induction of IL2-stimulated IFNgamma production measured after 48 hrs by ELISA
50008198	5	ChEMBL_1866547 (CHEMBL4367522)	Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as induction of IL2-stimulated cell proliferation by measuring increase in CD3+ cells preincubated for 3 days followed by 11 days incubation post compound washout and subsequent IL2 stimulation for every 3 days measured after 14 days by flow cytometry
50008198	6	ChEMBL_1866555 (CHEMBL4367530)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	7	ChEMBL_1866556 (CHEMBL4367531)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) at pH 6 to 9 measured after 60 mins by fluorescence polarization assay
50008198	8	ChEMBL_1866557 (CHEMBL4367532)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins in presence of calcium by fluorescence polarization assay
50008198	9	ChEMBL_1866558 (CHEMBL4367533)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins in presence of magnesium by fluorescence polarization assay
50008198	10	ChEMBL_1866560 (CHEMBL4367535)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 H381R mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	11	ChEMBL_1866562 (CHEMBL4367537)	Binding affinity to C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) by isothermal calorimetric titration method
50008198	12	ChEMBL_1866563 (CHEMBL4367538)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 W421A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	13	ChEMBL_1866564 (CHEMBL4367539)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 M424A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	14	ChEMBL_1866567 (CHEMBL4367542)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R499A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008198	15	ChEMBL_1866566 (CHEMBL4367541)	Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R448A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60 mins by fluorescence polarization assay
50008205	1	ChEMBL_1866568 (CHEMBL4367543)	Displacement of [3H]mepyramine from N-terminal HA-tagged H1R (unknown origin) expressed in HEK293T cells measured after 4 hrs by microbeta scintillation counting method
50008207	1	ChEMBL_1866578 (CHEMBL4367553)	Displacement of FITC-LDEETGEFL-NH2 from human KEAP1 Kelch domain (322 to 609 residues) measured after 30 mins by fluorescence polarization assay
50008207	2	ChEMBL_1866580 (CHEMBL4367555)	Binding affinity to biotinylated human KEAP1 Kelch domain (322 to 609 residues) by biolayer interferometry
50008207	3	ChEMBL_1866579 (CHEMBL4367554)	Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) by isothermal titration calorimetric method
50008208	1	ChEMBL_1866705 (CHEMBL4367680)	Inhibition of human chymotrypsin-like activity of 20S proteasome (unknown origin)
50008208	2	ChEMBL_1866658 (CHEMBL4367633)	Selective estrogen receptor down regulator activity at ERalpha (unknown origin)
50008208	3	ChEMBL_1866660 (CHEMBL4367635)	Inhibition of bacterial beta lactamase TEM-1
50008208	4	ChEMBL_1866686 (CHEMBL4367661)	Inhibition of full-length human recombinant PDE4B catalytic domain (152 to 484 residues)
50008208	5	ChEMBL_1866701 (CHEMBL4367676)	Inhibition of human neutrophil Elastase
50008209	1	ChEMBL_1866711 (CHEMBL4367686)	Antagonist activity at GAL4-DBD fused rat androgen receptor expressed in UAS-bla 293 cells assessed as reduction in R1881-induced activation incubated for 16 hrs followed by fluorescence substrate addition and measured after 2 hrs by beta lactamase reporter gene assay
50008209	2	ChEMBL_1866717 (CHEMBL4367692)	Inhibition of human ERG expressed in CHO cells by whole-cell voltage-clamp analysis
50008212	1	ChEMBL_1866881 (CHEMBL4367856)	Inhibition of human COX-2 using arachidonic acid as substrate incubated for 5 mins by fluorescence-based assay
50008212	2	ChEMBL_1866880 (CHEMBL4367855)	Inhibition of ovine COX-1 using arachidonic acid as substrate incubated for 5 mins by fluorescence-based assay
50008214	1	ChEMBL_1866886 (CHEMBL4367861)	Inhibition of recombinant human DPP4 using H-Gly-Pro conjugated amino methyl coumarin as substrate by fluorometric assay
50008214	2	ChEMBL_1866885 (CHEMBL4367860)	Inhibition of porcine angiotensin converting enzyme assessed as release of hippuric acid using hippuryl-histidyl-leucine as substrate measured after 30 mins by spectrophotometry analysis
50008215	1	ChEMBL_1866904 (CHEMBL4367879)	Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50008215	2	ChEMBL_1866906 (CHEMBL4367881)	Agonist activity at N-terminal Flag epitope tagged CB2 (unknown origin) expressed in HTLA cells assessed as increase of beta-arrestin recruitment by Tango assay
50008215	3	ChEMBL_1866907 (CHEMBL4367882)	Antagonist activity at N-terminal Flag epitope tagged CB2 (unknown origin) expressed in HTLA cells assessed as decrease in CP55940-induced beta-arrestin recruitment pretreated with non-selective cannabinoid receptor agonist CP55940 for 30 mins and measured after 20 mins by Tango assay
50008215	4	ChEMBL_1866908 (CHEMBL4367883)	Agonist activity at N-terminal Flag epitope tagged CB1 (unknown origin) expressed in HTLA cells assessed as increase of beta-arrestin recruitment by Tango assay
50008215	5	ChEMBL_1866909 (CHEMBL4367884)	Antagonist activity at N-terminal Flag epitope tagged CB1 (unknown origin) expressed in HTLA cells assessed as decrease in CP55940-induced beta-arrestin recruitment pretreated with non-selective cannabinoid receptor agonist CP55940 for 30 mins and measured after 20 mins by Tango assay
50008215	6	ChEMBL_1866903 (CHEMBL4367878)	Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis
50008215	7	ChEMBL_1866910 (CHEMBL4367885)	Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels after 30 mins by chemiluminescent detection based cAMP Hunter assay
50008216	1	ChEMBL_1866926 (CHEMBL4367901)	Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by fluorimetric analysis
50008218	1	ChEMBL_1866945 (CHEMBL4367920)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence based assay
50008218	2	ChEMBL_1866941 (CHEMBL4367916)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50008218	3	ChEMBL_1866940 (CHEMBL4367915)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50008218	4	ChEMBL_1866943 (CHEMBL4367918)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence based assay
50008220	1	ChEMBL_1866971 (CHEMBL4367946)	Inhibition of recombinant His-tagged BRAF V600E mutant (unknown origin) (444-723 residues) expressed in Escherichia coli BL21(DE3)-RIL using MEKK97R as substrate assessed as reduction in phosphorylation incubated for 20 mins by immunoblot assay
50008220	2	ChEMBL_1866977 (CHEMBL4367952)	Inhibition of BRAF V600E in human A375 cells assessed as reduction in ERK phosphorylation incubated for 1 hr by immunoblot analysis
50008221	1	ChEMBL_1867006 (CHEMBL4367981)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells incubated for 15 mins with substrate p-Tyramine by fluorescence assay
50008222	1	ChEMBL_1867021 (CHEMBL4367996)	Displacement of [3H]-citalopram from SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method
50008222	2	ChEMBL_1867022 (CHEMBL4367997)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta scintillation counting method
50008222	3	ChEMBL_1867025 (CHEMBL4368000)	Displacement of [3H]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method
50008222	4	ChEMBL_1867023 (CHEMBL4367998)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method
50008222	5	ChEMBL_1867024 (CHEMBL4367999)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillation counting method
50008222	6	ChEMBL_1867020 (CHEMBL4367995)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting method
50008223	1	ChEMBL_1867044 (CHEMBL4368019)	Inhibition of human full length SGLT2 expressed in NIH3T3 cells measured after 1 hr in presence of [14C]-methyl-alpha -D-glucopyranoside by scintillation counter method
50008223	2	ChEMBL_1867043 (CHEMBL4368018)	Inhibition of human full length SGLT1 expressed in NIH3T3 cells measured after 1 hr in presence of [14C]-methyl-alpha -D-glucopyranoside by scintillation counter method
50008225	1	ChEMBL_1867093 (CHEMBL4368068)	Potentiator activity at CFTR F508del mutant (unknown origin) expressed in rat FRT cells assessed as iodide influx preincubated for 18 to 24 hrs followed by compound wash out and subsequent compound and forskolin addition by fluorescence based assay
50008225	2	ChEMBL_1867089 (CHEMBL4368064)	Corrector activity at CFTR F508del mutant (unknown origin)
50008225	3	ChEMBL_1867091 (CHEMBL4368066)	Corrector activity at CFTR F508del mutant (unknown origin) expressed in rat FRT cells assessed as iodide influx preincubated for 18 to 24 hrs followed by compound wash out and addition of forskolin and genistein by fluorescence based assay
50008225	4	ChEMBL_1867095 (CHEMBL4368070)	Corrector activity at human CFTR F508del mutant expressed in rat FRT cells iodide influx incubated for 16 to 20 hrs followed by compound wash out and addition of forskolin and genistein and measured after 20 mins by fluorescence based assay
50008228	1	ChEMBL_1867119 (CHEMBL4368094)	Inhibition of DPP8 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured at 60 secs interval for 20 mins by fluorometic method
50008228	2	ChEMBL_1867118 (CHEMBL4368093)	Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured at 60 secs interval for 20 mins by fluorometic method
50008228	3	ChEMBL_1867120 (CHEMBL4368095)	Inhibition of DPP9 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition measured at 60 secs interval for 20 mins by fluorometic method
50008230	1	ChEMBL_1867179 (CHEMBL4368154)	Inhibition of 5HT transporter (unknown origin)
50008230	2	ChEMBL_1867169 (CHEMBL4368144)	Inhibition of HIV1 reverse transcriptase Y181C/K103N double mutant infected in human MT4 cells assessed as reduction in virus-induced cytopathogenicity
50008230	3	ChEMBL_1867167 (CHEMBL4368142)	Inhibition of recombinant human COX2 assessed as decrease in PGE2 release after 10 mins by EIA
50008230	4	ChEMBL_1867171 (CHEMBL4368146)	Inhibition of HIV1 3B Y181C mutant infected in human MT2 cells assessed as reduction in virus-induced cytopathogenicity after 3 days by BrightGlo luciferase reporter gene assay
50008230	5	ChEMBL_1867174 (CHEMBL4368149)	Inhibition of human DHFR
50008230	6	ChEMBL_1867178 (CHEMBL4368153)	Agonist activity at 5HT1A receptor (unknown origin)
50008230	7	ChEMBL_1867173 (CHEMBL4368148)	Inhibition of Mycobacterium tuberculosis H37Rv DHFR
50008232	1	ChEMBL_1867187 (CHEMBL4368162)	Binding affinity to recombinant human Fc-fused siglec-7 after 1 hr by fluorescence based glycan microarray analysis
50008232	2	ChEMBL_1867188 (CHEMBL4368163)	Binding affinity to recombinant human Fc-fused siglec-7 expressed in CHO cells measured over 180 secs
50008234	1	ChEMBL_1867199 (CHEMBL4368174)	Inhibition of human 5-LOX expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition by HPLC analysis
50008234	2	ChEMBL_1867200 (CHEMBL4368175)	Inhibition of 5-LOX in human PMNL cells assessed as A23187-stimulated LTB4 production preincubated for 15 mins followed by A23187 addition and measured after 10 mins by HPLC analysis
50008235	1	ChEMBL_1867206 (CHEMBL4368181)	Inhibition of Mycobacterium tuberculosis DNA gyrase
50008237	1	ChEMBL_1867217 (CHEMBL4368192)	Inhibition of BACE1 (unknown origin) expressed in baculovirus-expression system using Rh-EVNLDAEFK-Quencher substrate after 90 mins by FRET assay
50008237	2	ChEMBL_1867225 (CHEMBL4368200)	Inhibition of AChE (unknown origin)
50008237	3	ChEMBL_1867238 (CHEMBL4368213)	Inhibition of BuChE (unknown origin) by Ellman's method
50008237	4	ChEMBL_1867240 (CHEMBL4368215)	Inhibition of BuChE (unknown origin) using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by Ellman's method
50008237	5	ChEMBL_1867215 (CHEMBL4368190)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 3 mins followed by substrate addition
50008237	6	ChEMBL_1867235 (CHEMBL4368210)	Inhibition of AChE from human erythrocytes
50008237	7	ChEMBL_1867216 (CHEMBL4368191)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 3 mins followed by substrate addition
50008237	8	ChEMBL_1867218 (CHEMBL4368193)	Inhibition of AChE (unknown origin) after 2 mins
50008237	9	ChEMBL_1867219 (CHEMBL4368194)	Inhibition of BuChE (unknown origin) after 2 mins
50008237	10	ChEMBL_1867221 (CHEMBL4368196)	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation
50008237	11	ChEMBL_1867222 (CHEMBL4368197)	Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method
50008237	12	ChEMBL_1867224 (CHEMBL4368199)	Inhibition of BuChE (unknown origin)
50008237	13	ChEMBL_1867229 (CHEMBL4368204)	Inhibition of human AChE using acetylthiocholine iodide as substrate after 10 secs measured at 30 s intervals for two minutes by Ellman's method
50008237	14	ChEMBL_1867230 (CHEMBL4368205)	Inhibition of human BuChE at 100 uM using acetylthiocholine iodide as substrate after 10 secs measured at 30 s intervals for two minutes by Ellman's method relative to control
50008237	15	ChEMBL_1867231 (CHEMBL4368206)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 6 mins by Ellman's method
50008237	16	ChEMBL_1867236 (CHEMBL4368211)	Inhibition of AChE (unknown origin) by spectrophotometric analysis
50008237	17	ChEMBL_1867237 (CHEMBL4368212)	Inhibition of AChE (unknown origin) by Ellman's method
50008237	18	ChEMBL_1867239 (CHEMBL4368214)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by spectrophotometric analysis
50008237	19	ChEMBL_1867233 (CHEMBL4368208)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by Ellman's method
50008238	1	ChEMBL_1867247 (CHEMBL4368222)	Displacement of [3H]Spiperone from human D2S receptor expressed in CHOK1 cell membranes measured after 120 mins
50008238	2	ChEMBL_1867249 (CHEMBL4368224)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes measured after 30 mins
50008238	3	ChEMBL_1867248 (CHEMBL4368223)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes measured after 120 mins
50008238	4	ChEMBL_1867256 (CHEMBL4368231)	Antagonist activity at human 5HT2A receptor expressed in CHOK1 cells assessed as inhibition of 5-HT induced inositol phosphate production incubated for 24 hrs followed by 5-HT addition by HTRF assay
50008238	5	ChEMBL_1867242 (CHEMBL4368217)	Displacement of [3H]SCH23390 from human D1 receptor expressed in commercial cell membranes
50008238	6	ChEMBL_1867243 (CHEMBL4368218)	Displacement of [3H]Spiperone from human D2S receptor expressed in CHO cell membranes
50008238	7	ChEMBL_1867253 (CHEMBL4368228)	Agonist activity at human D2S receptor expressed in CHOK1 cells assessed as inhibition of forskolin induced cAMP production incubated for 10 mins followed by forskolin addition and measured after 5 mins by HTRF assay
50008238	8	ChEMBL_1867245 (CHEMBL4368220)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes
50008238	9	ChEMBL_1867244 (CHEMBL4368219)	Displacement of [3H]Spiperone from human D3 receptor expressed in commercial cell membranes
50008238	10	ChEMBL_1867246 (CHEMBL4368221)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cell membranes
50008239	1	ChEMBL_1867267 (CHEMBL4368242)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured every 30 secs for 2 mins by spectrophotometric method
50008239	2	ChEMBL_1867275 (CHEMBL4368250)	Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured every 30 secs for 2 mins by Lineweaver-Burk plot analysis with respect to free enzyme
50008239	3	ChEMBL_1867276 (CHEMBL4368251)	Mixed type inhibition of bovine xanthine oxidase using xanthine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured every 30 secs for 2 mins by Lineweaver-Burk plot analysis with respect to enzyme-substrate complex
50008242	1	ChEMBL_1867280 (CHEMBL4368255)	Inhibition of IL-5 receptor in mouse pro-B Y16 cells assessed as decrease in mIL-5 dependent cell proliferation after 48 hrs in presence of 3 units/ml mIL-5 by WST-1 assay
50008243	1	ChEMBL_1867284 (CHEMBL4368259)	Inhibition of ACSS2 in human MDA-MB-468 cells assessed as 13C-acetate incorporation incubated for 5 hrs measured under hypoxic conditions by LCMS analysis
50008244	1	ChEMBL_1867302 (CHEMBL4368277)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells preincubated with enzyme for 15 mins followed by 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-NO2)-Tyr-NH2 FRET substrate addition measured for 15 mins by fluorescence analysis
50008244	2	ChEMBL_1867287 (CHEMBL4368262)	Inhibition of Dengue virus NS2B-NS3 protease using FRET Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate
50008245	1	ChEMBL_1867313 (CHEMBL4368288)	Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter beta-arrestin assay
50008245	2	ChEMBL_1867311 (CHEMBL4368286)	Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as CP55940-induced cAMP level by hit-hunter cAMP assay
50008246	1	ChEMBL_1867317 (CHEMBL4368292)	Inhibition of recombinant human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008246	2	ChEMBL_1867315 (CHEMBL4368290)	Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008246	3	ChEMBL_1867318 (CHEMBL4368293)	Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008246	4	ChEMBL_1867316 (CHEMBL4368291)	Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008248	1	ChEMBL_1867336 (CHEMBL4368311)	Inhibition of COX-1 in mouse J774 cells assessed as inhibition of PEG2 production using arachidonic acid as substrate pretreated for 15 mins followed by substrate addition measured after 30 mins by radioimmuno assay
50008248	2	ChEMBL_1867337 (CHEMBL4368312)	Inhibition of COX-2 in LPS-induced mouse J774 cells assessed as inhibition of PEG2 production after 24 hrs by radioimmuno assay
50008251	1	ChEMBL_1867349 (CHEMBL4368324)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by phenol red staining-based stopped flow CO2 hydrase assay
50008251	2	ChEMBL_1867351 (CHEMBL4368326)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins by phenol red staining-based stopped flow CO2 hydrase assay
50008251	3	ChEMBL_1867348 (CHEMBL4368323)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins by phenol red staining-based stopped flow CO2 hydrase assay
50008251	4	ChEMBL_1867350 (CHEMBL4368325)	Inhibition of human carbonic anhydrase 4 incubated for 15 mins by phenol red staining-based stopped flow CO2 hydrase assay
50008252	1	ChEMBL_1867364 (CHEMBL4368339)	Inhibition of recombinant human carbonic anhydrase9 preincubated for 10 mins followed by CO2 solution addition by phenol red dye based stopped flow CO2 hydration assay
50008252	2	ChEMBL_1867365 (CHEMBL4368340)	Inhibition of recombinant human carbonic anhydrase12 preincubated for 10 mins followed by CO2 solution addition by phenol red dye based stopped flow CO2 hydration assay
50008252	3	ChEMBL_1867362 (CHEMBL4368337)	Inhibition of recombinant human carbonic anhydrase2 preincubated for 10 mins followed by CO2 solution addition by phenol red dye based stopped flow CO2 hydration assay
50008252	4	ChEMBL_1867363 (CHEMBL4368338)	Inhibition of recombinant human carbonic anhydrase1 preincubated for 10 mins followed by CO2 solution addition by phenol red dye based stopped flow CO2 hydration assay
50008253	1	ChEMBL_1867366 (CHEMBL4368341)	Inhibition of chemR23 in human CAL1 cells assessed as reduction in chemerin-induced intracellular calcium ion concentration preincubated for 45 mins followed by chemerin addition
50008253	2	ChEMBL_1867367 (CHEMBL4368342)	Inhibition of CXCR4 expressed in human CAL1 cells assessed as reduction in SDF1alpha-induced intracellular calcium ion concentration preincubated for 45 mins followed by SDF1alpha addition
50008253	3	ChEMBL_1867368 (CHEMBL4368343)	Agonist activity at chemR23 expressed in human CAL1 cells assessed as increase in intracellular calcium ion concentration
50008253	4	ChEMBL_1867374 (CHEMBL4368349)	Inhibition of chemR23 expressed in human CAL1 cells assessed as reduction in chemerin-induced chemotaxis incubated for 4 hrs by cell counting based CellTiter-Glo assay
50008253	5	ChEMBL_1867369 (CHEMBL4368344)	Inhibition of chemR23 expressed in mouse BA/F3 cells assessed as reduction in chemerin-induced intracellular calcium ion concentration preincubated for 45 mins followed by chemerin addition
50008254	1	ChEMBL_1867380 (CHEMBL4368355)	Binding affinity to wild-type human full length p38-alpha (M1 to S360 residues) expressed in bacterial expression system by Kinomescan method
50008254	2	ChEMBL_1867381 (CHEMBL4368356)	Inhibition of BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3)-pRARE cells by fluorescence anisotropy
50008254	3	ChEMBL_1867385 (CHEMBL4368360)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50008254	4	ChEMBL_1867382 (CHEMBL4368357)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50008254	5	ChEMBL_1867383 (CHEMBL4368358)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50008254	6	ChEMBL_1867384 (CHEMBL4368359)	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50008254	7	ChEMBL_1867386 (CHEMBL4368361)	Inhibition of biotinylated histone H4 peptide binding to BRD4 bromodomain 1 (44 to 168 residues) (unknown origin) after 60 mins by Alphascreen method
50008256	1	ChEMBL_1867398 (CHEMBL4368373)	Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in EGF-induced ERK1/2 phosphorylation incubated for 4 hrs followed by EGF addition by luminescence based assay
50008256	2	ChEMBL_1867397 (CHEMBL4368372)	Inhibition of GDP bound N terminal His-tagged KRAS G12C/C118A mutant (unknown origin) (1 to 169 residues) assessed as reduction in SOS-mediated guanine nucleotide exchange preincubated for 2 hrs followed by addition of SOS and GTP and measured after 1 hr by alphascreen assay
50008256	3	ChEMBL_1867403 (CHEMBL4368378)	Binding affinity to KRAS (unknown origin) by H-ddNMR analysis
50008256	4	ChEMBL_1867404 (CHEMBL4368379)	Inhibition of KRAS G12C mutant in human A549 cells assessed as reduction in EGF-induced ERK1/2 phosphorylation incubated for 4 hrs followed by EGF addition by luminescence based assay
50008257	1	ChEMBL_1867526 (CHEMBL4368501)	Inhibition of c-MET D1228V mutant phosphorylation at Tyr1234/Tyr1235 residues in CRISPR/Cas9 modified human NCI-H1993 cells incubated for 4 hrs by HTRF assay
50008257	2	ChEMBL_1867525 (CHEMBL4368500)	Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay
50008257	3	ChEMBL_1867527 (CHEMBL4368502)	Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated c-MET (956 to 1390 residues) (unknown origin) expressed in sf21 cells using poly (Glu,Tyr) as substrate measured after 60 mins by ADP-Glo kinase assay
50008257	4	ChEMBL_1867528 (CHEMBL4368503)	Inhibition of N-terminal NH-tagged and avi-tagged dephosphorylated c-MET D1228V mutant (956 to 1390 residues) (unknown origin) expressed in sf21 cells using poly (Glu,Tyr) as substrate measured after 60 mins by ADP-Glo kinase assay
50008259	1	ChEMBL_1867551 (CHEMBL4368526)	Antagonist activity at human 5-HT1A receptor expressed in CHO-K1 cells co-expressing aequorin incubated for 1 hr measured for 30 secs in presence of coelenterazine h by luminescence assay
50008259	2	ChEMBL_1867550 (CHEMBL4368525)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analysis
50008259	3	ChEMBL_1867546 (CHEMBL4368521)	Binding affinity to human 5HT2A receptor
50008259	4	ChEMBL_1867545 (CHEMBL4368520)	Binding affinity to human 5HT1A receptor
50008259	5	ChEMBL_1867543 (CHEMBL4368518)	Binding affinity to rat 5HT1A receptor
50008259	6	ChEMBL_1867645 (CHEMBL4368620)	Displacement of [125I](+/-)DOI from recombinant human 5-HT2B receptor after 60 mins by radiometric scintillation analysis
50008259	7	ChEMBL_1867547 (CHEMBL4368522)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in human brain tissue incubated for 30 mins by scintillation counting analysis
50008259	8	ChEMBL_1867544 (CHEMBL4368519)	Binding affinity to rat 5HT2A receptor
50008259	9	ChEMBL_1867644 (CHEMBL4368619)	Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor after 60 mins by radiometric scintillation analysis
50008259	10	ChEMBL_1867548 (CHEMBL4368523)	Displacement of [3H]Ketanserin from 5-HT2A receptor in human brain tissue incubated for 60 mins by scintillation counting analysis
50008260	1	ChEMBL_1867731 (CHEMBL4368706)	Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfected in HEK293T cells assessed as inhibition of rosiglitazone-induced PPARgamma transactivation incubated for 24 hrs by luciferase reporter gene assay
50008260	2	ChEMBL_1867743 (CHEMBL4368718)	Antagonist actvity in sGFP-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced PPARgamma activation incubated for 1 hr in presence of CBP-1 cofactor peptide by HTRF based cofactor recruitment assay
50008262	1	ChEMBL_1867762 (CHEMBL4368737)	Inhibition of HDAC7 (unknown origin)
50008262	2	ChEMBL_1867760 (CHEMBL4368735)	Inhibition of HDAC4 (unknown origin)
50008262	3	ChEMBL_1867768 (CHEMBL4368743)	Inhibition of HDAC8 (unknown origin)
50008262	4	ChEMBL_1867772 (CHEMBL4368747)	Inhibition of HDAC5 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorometric assay
50008262	5	ChEMBL_1867764 (CHEMBL4368739)	Inhibition of HDAC1 (unknown origin)
50008262	6	ChEMBL_1867766 (CHEMBL4368741)	Inhibition of HDAC3 (unknown origin)
50008262	7	ChEMBL_1867767 (CHEMBL4368742)	Inhibition of HDAC6 (unknown origin)
50008262	8	ChEMBL_1867770 (CHEMBL4368745)	Inhibition of HDAC11 (unknown origin)
50008262	9	ChEMBL_1867761 (CHEMBL4368736)	Inhibition of HDAC5 (unknown origin)
50008262	10	ChEMBL_1867765 (CHEMBL4368740)	Inhibition of HDAC2 (unknown origin)
50008262	11	ChEMBL_1867769 (CHEMBL4368744)	Inhibition of HDAC10 (unknown origin)
50008262	12	ChEMBL_1867763 (CHEMBL4368738)	Inhibition of HDAC9 (unknown origin)
50008262	13	ChEMBL_1867771 (CHEMBL4368746)	Inhibition of HDAC4 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorometric assay
50008262	14	ChEMBL_1867773 (CHEMBL4368748)	Inhibition of HDAC7 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorometric assay
50008262	15	ChEMBL_1867774 (CHEMBL4368749)	Inhibition of HDAC9 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorometric assay
50008262	16	ChEMBL_1867775 (CHEMBL4368750)	Inhibition of HDAC6 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorometric assay
50008265	1	ChEMBL_1867778 (CHEMBL4368753)	Displacement of [3H]CP55940 from human CB1R in HEK293 cell membranes after 60 mins liquid scintillation analysis
50008265	2	ChEMBL_1867779 (CHEMBL4368754)	Binding affinity to human D2R
50008265	3	ChEMBL_1867776 (CHEMBL4368751)	Displacement of [3H] spiperone from human D2 dopamine receptor expressed in monkey caudate-putamen membranes
50008267	1	ChEMBL_1867803 (CHEMBL4368778)	Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as increase in accumulation of GDP bound KRAS G12C mutant protein incubated for 6 hrs
50008267	2	ChEMBL_1867804 (CHEMBL4368779)	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as increase in accumulation of GDP bound KRAS G12C mutant protein incubated for 6 hrs
50008268	1	ChEMBL_1867805 (CHEMBL4368780)	Antagonist activity at human LPA1 expressed in CHO cells assessed as reduction in LPA-induced calcium influx incubated for 20 mins
50008270	1	ChEMBL_1868727 (CHEMBL4369793)	Binding affinity to human DC-SIGN ECD expressed in Escherichia coli BL21(DE3) after 1 hr by Man-Fl-BSA assay
50008270	2	ChEMBL_1868721 (CHEMBL4369787)	Binding affinity to human serum albumin by NMR spectroscopy
50008270	3	ChEMBL_1868723 (CHEMBL4369789)	Binding affinity to human serum albumin assessed as inhibition constant by NMR spectroscopy
50008270	4	ChEMBL_1868724 (CHEMBL4369790)	Binding affinity to human serum albumin by fluorescence-based assay
50008270	5	ChEMBL_1868726 (CHEMBL4369792)	Binding affinity to factor D (unknown origin) by 19F-NMR spectroscopy
50008270	6	ChEMBL_1868728 (CHEMBL4369794)	Binding affinity to His-tagged human MNK expressed in Escherichia coli BL21(DE3) in presence of ATP by 9F-NMR spectroscopy analysis
50008270	7	ChEMBL_1868729 (CHEMBL4369795)	Binding affinity to Nurr1 (unknown origin) by 1H-STD-NMR spectroscopy
50008270	8	ChEMBL_1868730 (CHEMBL4369796)	Inhibition of Escherichia coli PPAT after 5 mins by reverse ATP-generating-luciferase assay
50008270	9	ChEMBL_1868725 (CHEMBL4369791)	Inhibition of recombinant human factor D expressed in Escherichia coli using Z-Lys-thiobenzyl as substrate after 1 hr by spectrofluorimetry
50008270	10	ChEMBL_1868722 (CHEMBL4369788)	Binding affinity to human serum albumin by ITC
50008271	1	ChEMBL_1868737 (CHEMBL4369803)	Inhibition of human KGA preincubated for 15 to 30 mins followed by substrate addition and measured after 3 to 4 hrs by GDH-EZMTT reagent-based GDH coupled assay
50008271	2	ChEMBL_1868734 (CHEMBL4369800)	Inhibition of human recombinant GAC (72 to 598 residues) expressed in Escherichia coli BL21(DE3) after 10 mins by GluO-horseradish peroxidase coupled assay
50008272	1	ChEMBL_1868767 (CHEMBL4369833)	Displacement of [125I]-His9 ghrelin from SNAP-tagged human GHSR expressed in HEK293T cells after 3 hrs by HTRF assay
50008272	2	ChEMBL_1868768 (CHEMBL4369834)	Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in inositol phosphate production after 30 mins by HTRF assay
50008272	3	ChEMBL_1868770 (CHEMBL4369836)	Antagonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced inositol phosphate production at 1 uM by measuring ghrelin EC50 after 30 mins by HTRF assay (Rvb = 0.36 +/- 0.01 nM)
50008272	4	ChEMBL_1868771 (CHEMBL4369837)	Antagonist activity at SNAP-tagged human GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced inositol phosphate production at 1 uM by measuring ghrelin EC50 after 30 mins by HTRF assay (Rvb = 0.40 +/- 0.05 nM)
50008272	5	ChEMBL_1868772 (CHEMBL4369838)	Antagonist activity at human SNAP-tagged GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced calcium production at 1 uM by measuring ghrelin EC50 after 15 mins by Fluo 4-AM dye-based fluorescence assay (Rvb = 0.41 +/- 0.13 nM)
50008272	6	ChEMBL_1868773 (CHEMBL4369839)	Antagonist activity at human SNAP-tagged GHSR expressed in HEK293T cells assessed as reduction in ghrelin-induced calcium production at 1 uM by measuring ghrelin EC50 after 15 mins by Fluo 4-AM dye-based fluorescence assay (Rvb = 0.34 +/- 0.12 nM)
50008275	1	ChEMBL_1868833 (CHEMBL4369899)	Inhibition of human CDK4 by kinobeads-based assay
50008275	2	ChEMBL_1868788 (CHEMBL4369854)	Inhibition of CDK4 (unknown origin)
50008275	3	ChEMBL_1868821 (CHEMBL4369887)	Inhibition of CDK2 (unknown origin)
50008275	4	ChEMBL_1868814 (CHEMBL4369880)	Inhibition of human ERG by patch clamp assay
50008275	5	ChEMBL_1868809 (CHEMBL4369875)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 20 mins followed by substrate addition and measured after 5 mins by LC-MS/MS analysis
50008276	1	ChEMBL_1868861 (CHEMBL4369927)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	2	ChEMBL_1868862 (CHEMBL4369928)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	3	ChEMBL_1868936 (CHEMBL4370002)	Agonist activity at human A3A adenosine receptor expressed in HEK cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50008276	4	ChEMBL_1868927 (CHEMBL4369993)	Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from rat A2A adenosine receptor expressed in HEK293 cell membranes at 10 uM after 60 mins by scintillation proximity assay relative to adenosine 5-N-ethyluronamide
50008276	5	ChEMBL_1868932 (CHEMBL4369998)	Inhibition of alpha2a receptor (unknown origin)
50008276	6	ChEMBL_1868854 (CHEMBL4369920)	Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	7	ChEMBL_1868859 (CHEMBL4369925)	Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay
50008276	8	ChEMBL_1868860 (CHEMBL4369926)	Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay
50008276	9	ChEMBL_1868865 (CHEMBL4369931)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from rat A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	10	ChEMBL_1868866 (CHEMBL4369932)	Inhibition of 5HT2B (unknown origin)
50008276	11	ChEMBL_1868868 (CHEMBL4369934)	Inhibition of sigma receptor 2 (unknown origin)
50008276	12	ChEMBL_1868872 (CHEMBL4369938)	Inhibition of histamine H2 receptor (unknown origin)
50008276	13	ChEMBL_1868856 (CHEMBL4369922)	Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	14	ChEMBL_1868867 (CHEMBL4369933)	Inhibition of 5HT2C (unknown origin)
50008276	15	ChEMBL_1868878 (CHEMBL4369944)	Inhibition of sigma receptor 1 (unknown origin)
50008276	16	ChEMBL_1868885 (CHEMBL4369951)	Agonist activity at human A1A adenosine receptor expressed in CHOKI cells assessed as induction of beta-arrestin2 recruitment after 60 mins
50008276	17	ChEMBL_1868869 (CHEMBL4369935)	Inhibition of NET (unknown origin)
50008276	18	ChEMBL_1868870 (CHEMBL4369936)	Inhibition of TSPO (unknown origin)
50008276	19	ChEMBL_1868871 (CHEMBL4369937)	Inhibition of 5HT5A (unknown origin)
50008276	20	ChEMBL_1868873 (CHEMBL4369939)	Inhibition of muscarinic M3 receptor (unknown origin)
50008276	21	ChEMBL_1868874 (CHEMBL4369940)	Inhibition of KOR (unknown origin)
50008276	22	ChEMBL_1868875 (CHEMBL4369941)	Inhibition of DAT (unknown origin)
50008276	23	ChEMBL_1868879 (CHEMBL4369945)	Inhibition of 5HT7R (unknown origin)
50008276	24	ChEMBL_1868903 (CHEMBL4369969)	Inhibition of human CYP2D6 using dextromethorphan as substrate
50008276	25	ChEMBL_1868904 (CHEMBL4369970)	Inhibition of human CYP3A4 using midazolam as substrate
50008276	27	ChEMBL_1868934 (CHEMBL4370000)	Agonist activity at rat A1A adenosine receptor expressed in CHO-K1 cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50008276	28	ChEMBL_1868938 (CHEMBL4370004)	Agonist activity at human A1A adenosine receptor expressed in HEK cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50008276	29	ChEMBL_1868883 (CHEMBL4369949)	Agonist activity at human A1A adenosine receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP production after 60 mins
50008276	30	ChEMBL_1868926 (CHEMBL4369992)	Displacement of [3H]N6-R-phenylisopropyladenosine from rat A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	31	ChEMBL_1868931 (CHEMBL4369997)	Inhibition of guinea pig sigma receptor 1
50008276	32	ChEMBL_1868915 (CHEMBL4369981)	Inhibition of human ERG by fluorescence polarization assay
50008276	33	ChEMBL_1868928 (CHEMBL4369994)	Binding affinity to human A2A adenosine receptor expressed in HEK293 cell membranes
50008276	34	ChEMBL_1868902 (CHEMBL4369968)	Inhibition of human CYP2C9 using tolbutamide as substrate
50008276	35	ChEMBL_1868925 (CHEMBL4369991)	Binding affinity to human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay
50008276	36	ChEMBL_1868933 (CHEMBL4369999)	Inhibition of beta-3 adrenergic receptor (unknown origin)
50008276	37	ChEMBL_1868880 (CHEMBL4369946)	Inhibition of histamine H1 receptor (unknown origin)
50008276	38	ChEMBL_1868876 (CHEMBL4369942)	Inhibition of histamine H3 receptor (unknown origin)
50008277	1	ChEMBL_1868962 (CHEMBL4370028)	Agonist activity at urotensin 2 receptor (unknown origin) expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation measured for 5 mins by luminescence detection based BRET assay
50008277	2	ChEMBL_1868959 (CHEMBL4370025)	Agonist activity at urotensin 2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction relative to KCl-induced contraction
50008277	3	ChEMBL_1868958 (CHEMBL4370024)	Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counting assay
50008278	1	ChEMBL_1868967 (CHEMBL4370033)	Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay
50008278	2	ChEMBL_1868964 (CHEMBL4370030)	Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay
50008278	3	ChEMBL_1868965 (CHEMBL4370031)	Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell membranes after 2 hrs by SPA assay
50008278	4	ChEMBL_1868966 (CHEMBL4370032)	Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 accumulation after 1 hr by HTRF assay
50008281	1	ChEMBL_1868987 (CHEMBL4370053)	Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay
50008281	2	ChEMBL_1868988 (CHEMBL4370054)	Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay
50008282	1	ChEMBL_1869038 (CHEMBL4370104)	Inhibition of recombinant HIV1 reverse transcriptase using (DIG)-dUTP and biotin-labeled dNTPs as substrate after 1 hr by ELISA
50008282	2	ChEMBL_1869045 (CHEMBL4370111)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins in presence of NADPH
50008282	3	ChEMBL_1869042 (CHEMBL4370108)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins in presence of NADPH
50008282	4	ChEMBL_1869043 (CHEMBL4370109)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH
50008282	5	ChEMBL_1869046 (CHEMBL4370112)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH
50008282	6	ChEMBL_1869078 (CHEMBL4370144)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual patch clamp assay
50008282	7	ChEMBL_1869044 (CHEMBL4370110)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins in presence of NADPH
50008283	1	ChEMBL_1869079 (CHEMBL4370145)	Inhibition of full length recombinant PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues preincubated for 30 mins followed by biotinylated BAD addition and measured after 1 hr by HTRF assay
50008283	2	ChEMBL_1869080 (CHEMBL4370146)	Inhibition of full length recombinant PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser112 residues preincubated for 30 mins followed by biotinylated BAD addition and measured after 1 hr by HTRF assay
50008283	3	ChEMBL_1869103 (CHEMBL4370169)	Inhibition of human ERG
50008284	1	ChEMBL_1869127 (CHEMBL4370193)	Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 to 20 mins followed by substrate addition and measured every 1 min for 8 mins
50008284	2	ChEMBL_1869139 (CHEMBL4370205)	Inhibition of human GLO1
50008286	1	ChEMBL_1869141 (CHEMBL4370207)	Displacement of [3]-RAMH from recombinant human histamine H3 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting
50008286	2	ChEMBL_1869174 (CHEMBL4370240)	Inhibition of CYP1A2 (unknown origin)
50008286	3	ChEMBL_1869183 (CHEMBL4370249)	Inverse agonist activity at recombinant human Histamine 3 receptor expressed in CHO-K1 cells assessed as inhibition of RAMH-induced agonist activity preincubated for 20 mins and measured after 60 mins by [35S]-GTPgammaS binding assay
50008286	4	ChEMBL_1869160 (CHEMBL4370226)	Displacement of [3]-RAMH from rat histamine H3 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting
50008286	5	ChEMBL_1869175 (CHEMBL4370241)	Inhibition of CYP2A6 (unknown origin)
50008286	6	ChEMBL_1869177 (CHEMBL4370243)	Inhibition of CYP2C8 (unknown origin)
50008286	7	ChEMBL_1869178 (CHEMBL4370244)	Inhibition of CYP2C9 (unknown origin)
50008286	8	ChEMBL_1869181 (CHEMBL4370247)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins in presence of NADPH by LC-MS/MS analysis
50008286	9	ChEMBL_1869180 (CHEMBL4370246)	Inhibition of CYP2E1 (unknown origin)
50008286	10	ChEMBL_1869176 (CHEMBL4370242)	Inhibition of CYP2B6 (unknown origin)
50008286	11	ChEMBL_1869179 (CHEMBL4370245)	Inhibition of CYP2C19 (unknown origin)
50008286	12	ChEMBL_1869194 (CHEMBL4370260)	Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp assay
50008286	13	ChEMBL_1869182 (CHEMBL4370248)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins by LC-MS/MS analysis
50008287	1	ChEMBL_1869225 (CHEMBL4370291)	Inhibition of wild type VEGFR2 (unknown origin) by bioluminescent ADP-glo kinase assay
50008287	2	ChEMBL_1869224 (CHEMBL4370290)	Inhibition of wild type EGFR (unknown origin) by bioluminescent ADP-glo kinase assay
50008287	3	ChEMBL_1869222 (CHEMBL4370288)	Inhibition of bovine brain tubulin polymerization after 20 mins
50008287	4	ChEMBL_1869249 (CHEMBL4370315)	Inhibition of EGFR (unknown origin)
50008287	5	ChEMBL_1869248 (CHEMBL4370314)	Inhibition of VEGFR2 (unknown origin)
50008289	1	ChEMBL_1869253 (CHEMBL4370319)	Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculovirus-infected insect cells by lantha screen assay
50008289	2	ChEMBL_1869254 (CHEMBL4370320)	Induction of ERalpha degradation in human MCF7 cells after 18 to 24 hrs by in multiplexed cell assay
50008289	3	ChEMBL_1869291 (CHEMBL4370357)	Inhibition of CYP2C9 in human liver microsomes
50008289	4	ChEMBL_1869295 (CHEMBL4370361)	Inhibition of CYP2C19 in human liver microsomes
50008289	5	ChEMBL_1869277 (CHEMBL4370343)	Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs by formaldehyde-staining based assay
50008289	6	ChEMBL_1869278 (CHEMBL4370344)	Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs in absence of 0.25 uM tamoxifen by formaldehyde-staining based assay
50008289	7	ChEMBL_1869292 (CHEMBL4370358)	Inhibition of CYP3A4 in human liver microsomes
50008289	8	ChEMBL_1869293 (CHEMBL4370359)	Inhibition of human ERG by plate based planar patch clamp assay
50008289	9	ChEMBL_1869281 (CHEMBL4370347)	Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estradiol-driven cell growth measured after 7 days by SYTOX green-based assay
50008289	10	ChEMBL_1869294 (CHEMBL4370360)	Inhibition of CYP1A2 in human liver microsomes
50008289	11	ChEMBL_1869296 (CHEMBL4370362)	Inhibition of CYP2D6 in human liver microsomes
50008289	12	ChEMBL_1869284 (CHEMBL4370350)	Antagonist activity at ERalpha in human MCF7 cells assessed as inhibition of estradiol-driven PR response by microplate cytometry
50008289	13	ChEMBL_1869280 (CHEMBL4370346)	Induction of ERalpha degradation in human MCF7 cells assessed as reduction in ERalpha protein expression after 5 hrs in presence of 0.25 uM tamoxifen by formaldehyde-staining based assay
50008289	14	ChEMBL_1869279 (CHEMBL4370345)	Agonist activity at ERalpha in human MCF7 cells assessed as effect on PR protein expression after 5 hrs by formaldehyde-staining based assay
50008290	1	ChEMBL_1869305 (CHEMBL4370371)	Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated for 90 mins by fluorescence assay
50008290	2	ChEMBL_1869304 (CHEMBL4370370)	Inhibition of recombinant C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated for 90 mins by fluorescence assay
50008290	3	ChEMBL_1869307 (CHEMBL4370373)	Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using fluorogenic Arg-His-Lys(Ac)-Lys(Ac) as substrate incubated for 90 mins by fluorescence assay
50008290	4	ChEMBL_1869337 (CHEMBL4370403)	Inhibition of recombinant human HDAC1 using RHKKAc fluorogenic peptide substrate
50008290	5	ChEMBL_1869338 (CHEMBL4370404)	Inhibition of recombinant human HDAC6 using RHKKAc fluorogenic peptide substrate
50008290	6	ChEMBL_1869336 (CHEMBL4370402)	Inhibition of recombinant human HDAC8 using RHKKAc fluorogenic peptide substrate
50008291	1	ChEMBL_1869359 (CHEMBL4370425)	Agonist activity at RORgammaT (unknown origin) expressed in human Jurkat cells co-expressing human IL-17 ROR response element by luciferase reporter gene assay
50008291	2	ChEMBL_1869357 (CHEMBL4370423)	Agonist activity at His-tagged human RORgammaT assessed as induction of biotinylated SRC-1 peptide recruitment after 1 hr by TR-FRET assay
50008291	3	ChEMBL_1869356 (CHEMBL4370422)	Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethylsilyl)-phenyl)amino)-1-(4-(methoxymethyl)phenyl)-2-oxoethyl)-pentanamide from human His-tagged RORgammaT after 120 mins by TR-FRET assay
50008292	3	ChEMBL_1869385 (CHEMBL4370451)	Inhibition of 20S immunoproteasome beta 5 in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	4	ChEMBL_1869384 (CHEMBL4370450)	Inhibition of 20S constitutive proteasome beta 5 chymotrypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	5	ChEMBL_1869382 (CHEMBL4370448)	Inhibition of 20S immunoproteasome beta 2 in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	6	ChEMBL_1869381 (CHEMBL4370447)	Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	7	ChEMBL_1869396 (CHEMBL4370462)	Inhibition of 20S immunoproteasome beta 2 in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008292	8	ChEMBL_1869398 (CHEMBL4370464)	Inhibition of 20S constitutive proteasome beta 1 caspase-like activity in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008292	9	ChEMBL_1869397 (CHEMBL4370463)	Inhibition of 20S immunoproteasome beta 5 in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008292	10	ChEMBL_1869383 (CHEMBL4370449)	Inhibition of 20S constitutive proteasome beta 5 chymotrypsin-like activity in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008292	11	ChEMBL_1869386 (CHEMBL4370452)	Inhibition of 20S constitutive proteasome beta 1 caspase-like activity in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	12	ChEMBL_1869387 (CHEMBL4370453)	Inhibition of 20S immunoproteasome beta 1 in human Raji cell lysates after 1 hr by competitive ABPP assay
50008292	13	ChEMBL_1869406 (CHEMBL4370472)	Inhibition of 20S immunoproteasome beta 2 in intact human RPMI8226 cells after 1 hr by competitive ABPP assay
50008292	14	ChEMBL_1869407 (CHEMBL4370473)	Inhibition of 20S immunoproteasome beta 5 in intact human RPMI8226 cells after 1 hr by competitive ABPP assay
50008292	15	ChEMBL_1869395 (CHEMBL4370461)	Inhibition of 20S constitutive proteasome beta 2 trypsin-like activity in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008292	16	ChEMBL_1869399 (CHEMBL4370465)	Inhibition of 20S immunoproteasome beta 1 in human RPMI8226 cell lysates after 1 hr by coomassie brilliant blue staining-based fluorescence assay
50008294	1	ChEMBL_1869428 (CHEMBL4370494)	Inhibition of tubulin alpha in human A2780 cells assessed as reduction in cell growth
50008295	1	ChEMBL_1869432 (CHEMBL4370498)	Inhibition of recombinant human full length PKCtheta using biotin-labelled STK substrate-1 as substrate after 60 mins by fluorescence assay
50008295	2	ChEMBL_1869435 (CHEMBL4370501)	Inhibition of PKCtheta in human Jurkat cells assessed as reduction in IL2 production after 14 hrs by luciferase reporter gene assay
50008296	1	ChEMBL_1869472 (CHEMBL4370538)	Inhibition of recombinant human LSD1 (172 to 852 residues) using biotin-labelled H3K4me2 (1 to 24 residues) after 1 hr by TR-FRET assay
50008296	2	ChEMBL_1869474 (CHEMBL4370540)	Inhibition of MAOA (unknown origin) by Promega MAO-Glo assay
50008296	3	ChEMBL_1869475 (CHEMBL4370541)	Inhibition of MAOB (unknown origin) by Promega MAO-Glo assay
50008297	1	ChEMBL_1869493 (CHEMBL4370559)	Inhibition of HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by pico-green based spectrofluorometric analysis
50008297	2	ChEMBL_1869497 (CHEMBL4370563)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 20 mins in presence of NADP by LC-MS/MS analysis
50008297	3	ChEMBL_1869495 (CHEMBL4370561)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADP by LC-MS/MS analysis
50008297	4	ChEMBL_1869496 (CHEMBL4370562)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 20 mins in presence of NADP by LC-MS/MS analysis
50008297	5	ChEMBL_1869498 (CHEMBL4370564)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 3 mins in presence of NADP by LC-MS/MS analysis
50008297	6	ChEMBL_1869499 (CHEMBL4370565)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate after 10 mins in presence of NADP by LC-MS/MS analysis
50008298	1	ChEMBL_1869529 (CHEMBL4370595)	Inhibition of aurora A (unknown origin) using Kemptide as substrate after 60 mins by ADP-Glo luminescence assay
50008298	2	ChEMBL_1869530 (CHEMBL4370596)	Inhibition of aurora B (unknown origin) using Kemptide as substrate after 60 mins by ADP-Glo luminescence assay
50008299	1	ChEMBL_1869539 (CHEMBL4370605)	Inhibition of HIF1alpha transcriptional activity in human Hep3B cells after 24 hrs in hypoxic condition by HRE-dual luciferase reporter gene assay
50008300	1	ChEMBL_1869609 (CHEMBL4370675)	Inhibition of human recombinant CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-32P]ATP
50008300	2	ChEMBL_1869613 (CHEMBL4370679)	Inhibition of recombinant human full length C-terminal His6-tagged and N-terminal GST-tagged CDK7/cyclinH/MAT1 expressed in baculovirus Sf21 insect cells after 40 mins in presence of [gamma-32P]ATP by scintillation counting analysis
50008300	3	ChEMBL_1869632 (CHEMBL4370698)	Inhibition of human GST-tagged CDK4/cyclin D1 expressed in baculovirus after 1 hr in presence of [gamma-33P]ATP by liquid scintillation counting analysis
50008300	4	ChEMBL_1869639 (CHEMBL4370705)	Inhibition of human CDK4
50008300	5	ChEMBL_1869621 (CHEMBL4370687)	Inhibition of CDK2/cyclin A (unknown origin) using AAKAKKTPKKAKK-CONH2 as substrate after 20 mins by immunoprecipitation analysis
50008300	6	ChEMBL_1869627 (CHEMBL4370693)	Inhibition of human recombinant P-TEFb expressed in baculovirus expression system after 10 mins by SDS-PAGE analysis
50008300	7	ChEMBL_1869611 (CHEMBL4370677)	Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli after 60 mins by ELISA
50008300	8	ChEMBL_1869614 (CHEMBL4370680)	Inhibition of CDK2 (unknown origin)
50008300	9	ChEMBL_1869616 (CHEMBL4370682)	Inhibition of pp60 src (unknown origin)
50008300	10	ChEMBL_1869618 (CHEMBL4370684)	Inhibition of protein kinase C (unknown origin)
50008300	11	ChEMBL_1869619 (CHEMBL4370685)	Inhibition of Erk-1 (unknown origin)
50008300	12	ChEMBL_1869622 (CHEMBL4370688)	Inhibition of CDK2/cyclinE (unknown origin)
50008300	13	ChEMBL_1869623 (CHEMBL4370689)	Inhibition of human CDK4/cyclin D1 expressed in insect cells after 2.5 mins by liquid scintillation counting analysis
50008300	14	ChEMBL_1869626 (CHEMBL4370692)	Inhibition of CDK9/cyclin T (unknown origin)
50008300	15	ChEMBL_1869628 (CHEMBL4370694)	Inhibition of CDK1 (unknown origin)
50008300	16	ChEMBL_1869629 (CHEMBL4370695)	Inhibition of CDK4 (unknown origin)
50008300	17	ChEMBL_1869630 (CHEMBL4370696)	Inhibition of human GST-tagged CDK1/cyclin B1 expressed in baculovirus after 45 mins in presence of [gamma-33P]ATP by liquid scintillation counting analysis
50008300	18	ChEMBL_1869631 (CHEMBL4370697)	Inhibition of human GST-tagged CDK2/cyclinE expressed in baculovirus after 45 mins in presence of [gamma-33P]ATP by liquid scintillation counting analysis
50008300	19	ChEMBL_1869634 (CHEMBL4370700)	Inhibition of human CDK2/cyclin E expressed in baculovirus expression system after 30 mins in presence of [gamma-33P]ATP by scintillation counting analysis
50008300	20	ChEMBL_1869635 (CHEMBL4370701)	Inhibition of CDK9/cyclin T1 (unknown origin) after 30 mins in presence of [gamma-33P]ATP by scintillation counting analysis
50008300	21	ChEMBL_1869638 (CHEMBL4370704)	Inhibition of human CDK1
50008300	22	ChEMBL_1869640 (CHEMBL4370706)	Inhibition of human CDK6
50008300	23	ChEMBL_1869641 (CHEMBL4370707)	Inhibition of human CDK9
50008300	24	ChEMBL_1869608 (CHEMBL4370674)	Inhibition of PKC in rat brain homogenate using FKKSFKL-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins in presence of [gamma-32P]ATP by liquid scintillation counting analysis
50008300	25	ChEMBL_1869607 (CHEMBL4370673)	Inhibition of human recombinant N-terminal GST-tagged CDK9 (2 to 372 residues) expressed in baculovirus infected Sf9 insect cells co-expressing human cyclin T1 (2 to 726 residues) after 40 mins in presence of [gamma-32P]ATP by scintillation counting analysis
50008300	26	ChEMBL_1869615 (CHEMBL4370681)	Inhibition of EGFR (unknown origin)
50008300	27	ChEMBL_1869620 (CHEMBL4370686)	Inhibition of CDK1/cyclin B (unknown origin) in presence of [gamma-32P]ATP
50008300	28	ChEMBL_1869624 (CHEMBL4370690)	Inhibition of CDK7/cyclin H (unknown origin)
50008300	29	ChEMBL_1869637 (CHEMBL4370703)	Inhibition of CDK2/cyclin E (unknown origin) using AAKAKKTPKKAKK-CONH2 as substrate after 20 mins by immunoprecipitation analysis
50008300	30	ChEMBL_1869633 (CHEMBL4370699)	Inhibition of human CDK4/cyclin D1 expressed in baculovirus expression system after 30 mins in presence of [gamma-33P]ATP by scintillation counting analysis
50008301	1	ChEMBL_1869653 (CHEMBL4370719)	Inhibition of porcine kidney microsomal APN using L-Leu-p-nitroanilide as substrate after 30 mins
50008301	2	ChEMBL_1869656 (CHEMBL4370722)	Inhibition of APN on human PLC/PRF/5 cell surface using L-Leu-p-nitroanilide as substrate after 1 hr
50008301	3	ChEMBL_1869655 (CHEMBL4370721)	Inhibition of APN on human ES-2 cell surface using L-Leu-p-nitroanilide as substrate after 1 hr
50008302	1	ChEMBL_1869715 (CHEMBL4370781)	Inhibition of His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells after 10 mins by DELFIA/time-resolved fluorometry
50008302	2	ChEMBL_1869709 (CHEMBL4370775)	Inhibition of CHK2 (unknown origin)
50008302	3	ChEMBL_1869708 (CHEMBL4370774)	Inhibition of VEGFR1 (unknown origin)
50008305	1	ChEMBL_1869728 (CHEMBL4370794)	Inhibition of recombinant human PI3Kdelta using PIP2 as substrate after 35 to 40 mins by HTRF assay
50008305	2	ChEMBL_1869729 (CHEMBL4370795)	Inhibition of human PI3Kalpha using phosphatidyl inositol as substrate after 3 hrs by Kinase-Glo Plus reagent-based luminescence assay
50008305	3	ChEMBL_1869730 (CHEMBL4370796)	Inhibition of recombinant human PI3Kbeta using PIP2 as substrate after 35 to 40 mins by HTRF assay
50008305	4	ChEMBL_1869725 (CHEMBL4370791)	Inhibition of PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of [33P]ATP by Scintillation proximity assay
50008305	5	ChEMBL_1869731 (CHEMBL4370797)	Inhibition of recombinant human PI3Kgamma using PIP2 as substrate after 35 to 40 mins by HTRF assay
50008305	6	ChEMBL_1869724 (CHEMBL4370790)	Inhibition of PI3Kdelta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of [33P]ATP by Scintillation proximity assay
50008306	1	ChEMBL_1869768 (CHEMBL4370834)	Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay
50008307	1	ChEMBL_1869778 (CHEMBL4370844)	Competitive inhibition of TAMRAAc-TZ14011 binding to CXCR4 (unknown origin) expressed in CHO cells in presence of ZnCl2 by NanoBRET assay relative to control
50008308	1	ChEMBL_1869786 (CHEMBL4370852)	Inhibition of human liver cathepsin L
50008308	2	ChEMBL_1869785 (CHEMBL4370851)	Inhibition of recombinant His-tagged human cathepsin K expressed in Escherichia coli
50008308	3	ChEMBL_1869788 (CHEMBL4370854)	Inhibition of human liver cathepsin B
50008308	4	ChEMBL_1869787 (CHEMBL4370853)	Inhibition of recombinant human cathepsin S expressed in Escherichia coli
50008309	1	ChEMBL_1869808 (CHEMBL4370874)	Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as substrate after 1 hr by UV absorption analysis
50008309	2	ChEMBL_1869809 (CHEMBL4370875)	Inhibition of human IDO1
50008309	3	ChEMBL_1869810 (CHEMBL4370876)	Inhibition of human TDO expressed in Escherichia coli at using L-tryptophan as substrate after 1 hr by UV absorption analysis
50008309	4	ChEMBL_1869799 (CHEMBL4370865)	Inhibition of TDO (unknown origin)
50008309	5	ChEMBL_1869804 (CHEMBL4370870)	Inhibition of human TDO expressed in human A172 assessed as reduction in kynurenine formation using L-tryptophan as substrate after 24 hrs
50008309	6	ChEMBL_1869802 (CHEMBL4370868)	Inhibition of IDO1 in IFN-gamma-induced human HeLa cells assessed as reduction in L-kynurenine level after 24 hrs
50008310	1	ChEMBL_1869815 (CHEMBL4370881)	Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay
50008310	2	ChEMBL_1869814 (CHEMBL4370880)	Agonist activity at Nurr1 in mouse N2A cells harboring NBRE by luciferase reporter gene assay
50008310	3	ChEMBL_1869829 (CHEMBL4370895)	Inhibition of CYP3A4 (unknown origin)
50008310	4	ChEMBL_1869840 (CHEMBL4370906)	Inhibition of human ERG
50008310	5	ChEMBL_1869831 (CHEMBL4370897)	Inhibition of CYP2C9 (unknown origin)
50008310	6	ChEMBL_1869830 (CHEMBL4370896)	Inhibition of CYP2D6 (unknown origin)
50008310	7	ChEMBL_1869833 (CHEMBL4370899)	Activation of human ERG
50008311	1	ChEMBL_1869870 (CHEMBL4370936)	Inhibition of recombinant ALK (unknown origin) using peptide substrate measured after 1 hr by LanthaScreen assay
50008312	1	ChEMBL_1869971 (CHEMBL4371138)	Inhibition of type 1 5alpha reductase in human prostate
50008312	2	ChEMBL_1869974 (CHEMBL4371141)	Inhibition of type 2 5alpha reductase in rat prostate
50008312	3	ChEMBL_1869995 (CHEMBL4371162)	inhibition of rat cerebral 5HT transporter assessed as reduction in [3H]5HT reuptake after 4 mins
50008312	4	ChEMBL_1869988 (CHEMBL4371155)	Inhibition of bovine carbonic anhydrase 2
50008312	5	ChEMBL_1869989 (CHEMBL4371156)	Agonist activity at human 5HT1A expressed in CHO cell membranes assessed as increase in [35S]-GTPgammaS binding after 30 mins by liquid scintillation counting method
50008312	6	ChEMBL_1869960 (CHEMBL4371127)	Inhibition of human androgen receptor
50008312	7	ChEMBL_1869963 (CHEMBL4371130)	Inhibition of human type 2 5alpha reductase expressed in HEK293 cells
50008312	8	ChEMBL_1869968 (CHEMBL4371135)	Inhibition of His6 tagged human FKBP12 expressed in Escherichia coli BL21(DE3) cells using succinylALPF-p-nitroanilide as substrate by fluorescence polarization method
50008312	9	ChEMBL_1869953 (CHEMBL4371120)	Activation of kappa opioid receptor (unknown origin) expressed in CHO cells
50008312	10	ChEMBL_1869949 (CHEMBL4371116)	Binding affinity to delta opioid receptor (unknown origin)
50008312	11	ChEMBL_1869944 (CHEMBL4371111)	Inhibition of His6 tagged MBP fused human aurora A (123 to 390 residues) expressed in Escherichia coli Tuner (DE3) cells
50008312	12	ChEMBL_1869938 (CHEMBL4371105)	Inhibition of human cathepsin L
50008312	13	ChEMBL_1869936 (CHEMBL4371103)	Inhibition of MMP9 (unknown origin)
50008312	14	ChEMBL_1869969 (CHEMBL4371136)	Inhibition of human type 1 5alpha reductase
50008312	15	ChEMBL_1869955 (CHEMBL4371122)	Partial agonist activity at human PTH receptor expressed in OK-1 cells assessed as increase in cAMP production
50008312	16	ChEMBL_1869954 (CHEMBL4371121)	Binding affinity to human PTH receptor expressed in OK-1 cells
50008312	17	ChEMBL_1869952 (CHEMBL4371119)	Activation of mu opioid receptor (unknown origin) expressed in CHO cells
50008312	18	ChEMBL_1869948 (CHEMBL4371115)	Binding affinity to mu opioid receptor (unknown origin) expressed in HEK cells at pH 6.5
50008312	19	ChEMBL_1869946 (CHEMBL4371113)	Binding affinity to mu opioid receptor (unknown origin) expressed in HEK cells at pH 7.4
50008312	20	ChEMBL_1869945 (CHEMBL4371112)	Binding affinity to His6 tagged MBP fused human aurora A (123 to 390 residues) expressed in Escherichia coli Tuner (DE3) cells by isothermal titration calorimetric method
50008312	21	ChEMBL_1869942 (CHEMBL4371109)	Inhibition of thrombin (unknown origin)
50008312	22	ChEMBL_1869940 (CHEMBL4371107)	Inhibition of human 5HT1B expressed in CHO cells by [35S]-GTPgammaS binding assay
50008312	23	ChEMBL_1869939 (CHEMBL4371106)	Inhibition of human 5HT1D expressed in CHO cells by [35S]-GTPgammaS binding assay
50008312	24	ChEMBL_1869958 (CHEMBL4371125)	Inhibition of human factor 2a using H-Dphenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins
50008312	25	ChEMBL_1869962 (CHEMBL4371129)	Competitive inhibition of GABA aminotransferase (unknown origin)
50008312	26	ChEMBL_1869964 (CHEMBL4371131)	Inhibition of human type 1 5alpha reductase expressed in HEK293 cells
50008312	27	ChEMBL_1869970 (CHEMBL4371137)	Inhibition of human type 2 5alpha reductase
50008312	28	ChEMBL_1869972 (CHEMBL4371139)	Inhibition of type 2 5alpha reductase in human prostate
50008312	29	ChEMBL_1869973 (CHEMBL4371140)	Inhibition of type 1 5alpha reductase in rat prostate
50008312	30	ChEMBL_1869979 (CHEMBL4371146)	Inhibition of HCV NS3 protease
50008312	31	ChEMBL_1869983 (CHEMBL4371150)	Inhibition of PTP1B (unknown origin) by FDP assay
50008312	32	ChEMBL_1869994 (CHEMBL4371161)	Inhibition of steroid sulfatase (unknown origin) at pH 8.8
50008312	33	ChEMBL_1869992 (CHEMBL4371159)	Inhibition of steroid sulfatase (unknown origin) at pH 7
50008312	34	ChEMBL_1869991 (CHEMBL4371158)	Inhibition of PTP1B (unknown origin)
50008312	35	ChEMBL_1869986 (CHEMBL4371153)	Competitive inhibition of trypanosoma cruzi trypanothione reductase
50008312	36	ChEMBL_1869947 (CHEMBL4371114)	Binding affinity to mu opioid receptor (unknown origin) expressed in HEK cells at pH 5.5
50008312	37	ChEMBL_1869980 (CHEMBL4371147)	Inhibition of PTP1B (unknown origin) expressed in sf9 cells
50008312	38	ChEMBL_1869993 (CHEMBL4371160)	Inhibition of steroid sulfatase (unknown origin)
50008312	39	ChEMBL_1869957 (CHEMBL4371124)	Inhibition of human factor 7a using H-Dphenylalanyl-L-pipecolyl-L-arginine-p-nitroaniline dihydrochloride as substrate after 60 mins
50008312	40	ChEMBL_1869959 (CHEMBL4371126)	Inhibition of MAPK1 (unknown origin)
50008312	41	ChEMBL_1869951 (CHEMBL4371118)	Activation of delta opioid receptor (unknown origin) expressed in CHO cells
50008313	1	ChEMBL_1870044 (CHEMBL4371211)	Inhibition of Src (unknown origin)
50008313	2	ChEMBL_1869997 (CHEMBL4371164)	Inhibition of human placental insulin receptor expressed in CHO cells assessed as decrease in insulin-stimulated [3H]-2-deoxyglucose uptake preincubated for 1 hr
50008313	3	ChEMBL_1870012 (CHEMBL4371179)	Inhibition of human recombinant pp60c-src expressed in baculovirus infected Sf9 insect cells using poly(Glu,Tyr) 4:1 as substrate after 15 mins
50008313	4	ChEMBL_1869998 (CHEMBL4371165)	Inhibition of full length human recombinant pp60c-src using RR-SRC as substrate
50008313	5	ChEMBL_1870003 (CHEMBL4371170)	Inhibition of human c-SRC expressed in mouse NIH/3T3 cells assessed as inhibition of cell growth in presence of 1.5% FCS by BrdU incorporation assay
50008313	6	ChEMBL_1870009 (CHEMBL4371176)	Inhibition of human c-SRC expressed in mouse NIH/3T3 cells assessed as inhibition of cell growth in presence of 0.5% FCS
50008313	7	ChEMBL_1870076 (CHEMBL4371243)	Inhibition of LYN (unknown origin)
50008313	8	ChEMBL_1870043 (CHEMBL4371210)	Inhibition of Src autophosphorylation in mouse GL261 cells
50008313	9	ChEMBL_1869996 (CHEMBL4371163)	Non-competitive inhibition of human placental insulin receptor expressed in CHO cell membrane assessed as decrease in insulin-stimulated A2 phosphorylation preincubated for 15 mins followed by substrate addition and measured after 15 mins in presence of [gamma-32P]ATP by Dixon plot analysis
50008313	10	ChEMBL_1870016 (CHEMBL4371183)	Inhibition of BCR/ABL (unknown origin)
50008313	11	ChEMBL_1870013 (CHEMBL4371180)	Inhibition of human c-SRC expressed in mouse NIH/3T3 cells assessed as reduction in BrdU incorporation after 24 hrs by ELISA
50008314	1	ChEMBL_1870078 (CHEMBL4371245)	Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay
50008314	5	ChEMBL_1870088 (CHEMBL4371255)	Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay
50008314	6	ChEMBL_1870089 (CHEMBL4371256)	Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor alpha (unknown origin) by FRET-based assay
50008314	7	ChEMBL_1870091 (CHEMBL4371258)	Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay
50008314	9	ChEMBL_1870079 (CHEMBL4371246)	Binding affinity to human GST-tagged estrogen receptor alpha ligand binding domain after 1 hr by TR-FRET assay
50008314	10	ChEMBL_1870100 (CHEMBL4371267)	Inhibition of human recombinant CYP2C9 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence assay
50008314	11	ChEMBL_1870101 (CHEMBL4371268)	Inhibition of human recombinant CYP3A4 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence assay
50008314	12	ChEMBL_1870092 (CHEMBL4371259)	Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay
50008315	1	ChEMBL_1870170 (CHEMBL4371337)	Inhibition of Mycobacterium tuberculosis DprE1 C387S mutant using FPR as substrate by Amplex Red dye-based fluorescence assay
50008315	2	ChEMBL_1870172 (CHEMBL4371339)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 30 mins by in presence of NADPH by LC-MS/MS analysis
50008315	3	ChEMBL_1870163 (CHEMBL4371330)	Inhibition of Mycobacterium tuberculosis H37Rv DprE1
50008315	4	ChEMBL_1870169 (CHEMBL4371336)	Inhibition of Mycobacterium tuberculosis DprE1 C387G mutant using FPR as substrate by Amplex Red dye-based fluorescence assay
50008315	5	ChEMBL_1870171 (CHEMBL4371338)	Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrate by resazurin dye-based fluorescence assay
50008315	6	ChEMBL_1870156 (CHEMBL4371323)	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 using FPR as substrate preincubated for 6.5 hrs followed by substrate addition by resazurin dye-based spectrofluorimetric analysis
50008316	1	ChEMBL_1870312 (CHEMBL4371479)	Inhibition of wild type EGFR (unknown origin)
50008316	2	ChEMBL_1870182 (CHEMBL4371349)	Inhibition of AXL (unknown origin) phosphorylation after 1 hr by ELISA
50008316	3	ChEMBL_1870310 (CHEMBL4371477)	Inhibition of SRC (unknown origin)
50008316	4	ChEMBL_1870311 (CHEMBL4371478)	Inhibition of c-MET (unknown origin)
50008316	5	ChEMBL_1870309 (CHEMBL4371476)	Inhibition of AXL (unknown origin)
50008317	1	ChEMBL_1870374 (CHEMBL4371541)	Agonist activity at full-length Renilla luciferase 8 fused with c-terminal human kappa opioid receptor expressed in HEK293T cells assessed as inhibition of forskolin-mediated cAMP accumulation after 2 mins by BRET based CAMYEL assay
50008317	2	ChEMBL_1870366 (CHEMBL4371533)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as increase in [35S]-GTPgammaS binding after 1 hrs by TopCount scintillation counting assay
50008317	3	ChEMBL_1870360 (CHEMBL4371527)	Agonist activity at human mu opioid receptor expressed in human U2OS cells co-transfected with beta-arrestin-2 assessed as increase in beta-arrestin-2 recruitment after 90 mins by BRET assay
50008317	4	ChEMBL_1870482 (CHEMBL4371649)	Agonist activity at adenosine A3 receptor (unknown origin) expressed in serum starved CHO cells assessed as increase in cell survival after 24 hrs by propidium iodide staining-based assay
50008317	5	ChEMBL_1870490 (CHEMBL4371657)	Agonist activity at mGlu5 receptor (unknown origin) expressed in CHO cells assessed as increase in Gq-mediated PI hydrolysis after 45 mins by yttrium scintillation proximity assay
50008317	6	ChEMBL_1870410 (CHEMBL4371577)	Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as reversal of Ro 20-1724 mediated decrease in cAMP accumulation after 60 mins by luminescence assay
50008317	7	ChEMBL_1870396 (CHEMBL4371563)	Inverse agonist activity at dopamine D2 receptor (unknown origin) assessed as increase in beta-arrestin-2 recruitment
50008317	8	ChEMBL_1870479 (CHEMBL4371646)	Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as inhibition of forskolin-mediated cAMP accumulation preincubated for 10 mins followed by forskolin addition measured after 30 mins by alphascreen assay
50008317	9	ChEMBL_1870412 (CHEMBL4371579)	Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as assessed as increase in beta-arrestin-2 recruitment after 60 mins by luminescence assay
50008317	10	ChEMBL_1870445 (CHEMBL4371612)	Inverse agonist activity at C-terminally prolink-tagged mouse CB2 receptor expressed in CHOK1 cells harboring beta-galactosidase enzyme fused beta-arrestin assessed as increase in beta-arrestin recruitment after 90 mins by chemiluminescent assay
50008317	11	ChEMBL_1870454 (CHEMBL4371621)	Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-beta-arrestin1 assessed as increase in beta-arrestin1 recruitment after 30 mins by BRET-based luciferase reporter gene assay
50008317	12	ChEMBL_1870431 (CHEMBL4371598)	Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2OS cells increase in beta-arrestin2 recruitment after 2 hrs by luminescence assay
50008317	13	ChEMBL_1870443 (CHEMBL4371610)	Inverse agonist activity at mouse CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation after 5 mins by fluorescence assay
50008317	14	ChEMBL_1870471 (CHEMBL4371638)	Agonist activity at GPR109A (unknown origin) assessed as effect on beta-arrestin2 conformational changes
50008317	15	ChEMBL_1870354 (CHEMBL4371521)	Agonist activity at Gi/o coupled human mu opioid receptor expressed in HEK293T cells co-expressing luciferase based cAMP biosensor and GRK2 assessed as increase in cAMP accumulation after 15 mins by FLIPR assay
50008317	16	ChEMBL_1870415 (CHEMBL4371582)	Agonist activity at dopamine D2long receptor (unknown origin) assessed as increased in cAMP accumulation
50008317	17	ChEMBL_1870408 (CHEMBL4371575)	Agonist activity at dopamine D2 receptor (unknown origin) assessed as increase in beta-arrestin-2 recruitment
50008317	18	ChEMBL_1870404 (CHEMBL4371571)	Agonist activity at dopamine D2 receptor (unknown origin) assessed as increase in beta-arrestin-2 recruitment after 20 mins measured for 1 sec by BRET-based luciferase reporter gene assay
50008317	19	ChEMBL_1870400 (CHEMBL4371567)	Agonist activity at human dopamine D2long receptor (unknown origin) expressed in HEK293T cells co-expressing TEV fused-beta-Arrestin2 and GRK2 assessed as increase in beta-arrestin-2 recruitment after overnight incubation by Tango assay
50008317	20	ChEMBL_1870398 (CHEMBL4371565)	Agonist activity at dopamine D2 receptor (unknown origin) expressed in HEK293T cells co-expressing luciferase based cAMP biosensor assessed as inhibition of forskolin-mediated cAMP accumulation after 15 mins by microbeta luminescence counting assay
50008317	21	ChEMBL_1870390 (CHEMBL4371557)	Agonist activity at YFP-fused human NOPR expressed in HEK293 cells assessed as inhibition of forskolin-mediated cAMP accumulation measured immediately by luminescence assay
50008317	22	ChEMBL_1870388 (CHEMBL4371555)	Agonist activity at human NOPR expressed in human BHK cells assessed as increase in beta-arrestin-2 recruitment
50008317	23	ChEMBL_1870382 (CHEMBL4371549)	Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in beta-arrestin mediated p38 phosphorylation after 5 mins by Western blot analysis
50008317	24	ChEMBL_1870378 (CHEMBL4371545)	Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in ERK1/2 phosphorylation after 5 mins by Western blot analysis
50008317	25	ChEMBL_1870376 (CHEMBL4371543)	Agonist activity at FLAG-tagged human kappa opioid receptor expressed in HEK293 cells assessed as increase in ERK1/2 phosphorylation after 5 mins by Western blot analysis
50008317	26	ChEMBL_1870369 (CHEMBL4371536)	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK cells co-expressing luciferase based cAMP biosensor assessed as increase in cAMP accumulation after 20 to 30 mins by luciferase reporter gene assay
50008317	27	ChEMBL_1870358 (CHEMBL4371525)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes after 1 hr by [35S]-GTPgammaS binding assay
50008317	28	ChEMBL_1870365 (CHEMBL4371532)	Agonist activity at human kappa opioid receptor expressed in human U2OS cells assessed as increase in ERK1/2 phosphorylation after 10 mins by Western blot analysis
50008317	29	ChEMBL_1870364 (CHEMBL4371531)	Agonist activity at human kappa opioid receptor expressed in human U2OS cells co-transfected with GFP and beta-arrestin-2 assessed as increase in beta-arrestin-2 recruitment after 20 mins by Hoechst staining-based assay
50008317	30	ChEMBL_1870362 (CHEMBL4371529)	Agonist activity at human kappa opioid receptor expressed in human U2OS cells co-transfected with EFC and beta-arrestin-2 assessed as increase in beta-arrestin-2 recruitment after 90 mins by luminescence assay
50008317	31	ChEMBL_1870355 (CHEMBL4371522)	Agonist activity at human mu opioid receptor expressed in HEK293T cells co-transfected with venus-tagged N-terminal beta-arrestin-2 assessed as increase in beta-arrestin-2 recruitment after 30 mins measured for 1 sec by BRET-based luciferase reporter gene assay
50008317	32	ChEMBL_1870353 (CHEMBL4371520)	Displacement of [3H]-Diprenorphine from mu opioid receptor (unknown origin) expressed in sf9 insect cell membranes after 1 hr by liquid scintillation counting method
50008317	33	ChEMBL_1870351 (CHEMBL4371518)	Agonist activity at human AT1 receptor assessed as increase in beta-arrestin recruitment by chemiluminescent assay
50008317	34	ChEMBL_1870416 (CHEMBL4371583)	Agonist activity at dopamine D2long receptor (unknown origin) assessed as increase in beta-arrestin recruitment
50008317	35	ChEMBL_1870418 (CHEMBL4371585)	Antagonist activity at dopamine D2long receptor (unknown origin) assessed as inhibition of agonist-induced cAMP accumulation
50008317	36	ChEMBL_1870419 (CHEMBL4371586)	Antagonist activity at dopamine D2long receptor (unknown origin) assessed as inhibition of agonist-induced beta-arrestin recruitment
50008317	37	ChEMBL_1870484 (CHEMBL4371651)	Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as increase in cAMP accumulation after 24 hrs by luciferase reporter gene assay
50008317	38	ChEMBL_1870486 (CHEMBL4371653)	Agonist activity at Rluc8 fused human GLP1 receptor expressed in HEK293 cells assessed co-expressing GFP-tagged beta-arrestin1 assessed as increase in beta-arrestin1 recruitment after 20 to 40 mins by BRET assay
50008317	39	ChEMBL_1870488 (CHEMBL4371655)	Agonist activity at Rluc8 fused human GLP1 receptor expressed in HEK293 cells assessed co-expressing GFP-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment after 20 to 40 mins by BRET assay
50008317	40	ChEMBL_1870492 (CHEMBL4371659)	Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as increase in calcium mobilization
50008317	41	ChEMBL_1870493 (CHEMBL4371660)	Positive allosteric modulation of rat mGlu5 receptor expressed in HEK293 cells assessed as increase in calcium mobilization after 60 secs in presence of glutamate by Fluo-4 AM dye-based fluorescence assay
50008317	42	ChEMBL_1870421 (CHEMBL4371588)	Agonist activity at dopamine D1 receptor (unknown origin) assessed as increase in cAMP accumulation
50008317	43	ChEMBL_1870429 (CHEMBL4371596)	Agonist activity at histamine H4 receptor (unknown origin) expressed in HEK293T cells harboring CRE-luciferase after 6 hrs by luciferase reporter gene assay
50008317	44	ChEMBL_1870435 (CHEMBL4371602)	Agonist activity at CB1 receptor (unknown origin) assessed as increase in beta-arrestin2 recruitment after 20 mins by BRET-based luciferase reporter gene assay
50008317	45	ChEMBL_1870439 (CHEMBL4371606)	Agonist activity at GFP-fused human CB1 receptor assessed as increase in cAMP accumulation after 1 hr by FRET assay
50008317	46	ChEMBL_1870441 (CHEMBL4371608)	Agonist activity at GFP-fused human CB1 receptor assessed as increase in beta-arrestin-2 recruitment by BRET-based luciferase reporter gene assay
50008317	47	ChEMBL_1870447 (CHEMBL4371614)	Agonist activity at human APJ receptor by saphenous vein contraction assay
50008317	48	ChEMBL_1870448 (CHEMBL4371615)	Agonist activity at human APJ receptor assessed as increase in beta-arrestin recruitment
50008317	50	ChEMBL_1870450 (CHEMBL4371617)	Agonist activity at human APJ receptor assessed as increase in beta-arrestin1 recruitment
50008317	51	ChEMBL_1870455 (CHEMBL4371622)	Agonist activity at human APJ receptor expressed in HEK293 cells harboring Rluc2-beta-arrestin2 assessed as increase in beta-arrestin2 recruitment after 30 mins by BRET-based luciferase reporter gene assay
50008317	52	ChEMBL_1870456 (CHEMBL4371623)	Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-Galphai1/GFP10-Ggamma/Gbeta1 after 5 mins by BRET assay
50008317	53	ChEMBL_1870458 (CHEMBL4371625)	Agonist activity at APJ receptor (unknown origin) assessed as inhibition of forskolin-induced cAMP accumulation
50008317	55	ChEMBL_1870468 (CHEMBL4371635)	Antagonist activity at ETB receptor (unknown origin) assessed as effect on G protein-mediated smooth muscle contraction
50008317	56	ChEMBL_1870472 (CHEMBL4371639)	Agonist activity at FPR2 (unknown origin) expressed in CHOK1 cells harboring beta-galactosidase enzyme fused beta-arrestin assessed as increase in beta-arrestin2 recruitment after 90 mins by chemiluminescent assay
50008317	57	ChEMBL_1870477 (CHEMBL4371644)	Agonist activity at human adenosine A3 receptor expressed in FlpIn-CHO cells assessed as increase in ERK1/2 phosphorylation after 5 mins by alphascreen assay
50008317	58	ChEMBL_1870384 (CHEMBL4371551)	Agonist activity at human NOPR expressed in human BHK cells assessed as inhibition of forskolin-mediated cAMP accumulation after 10 mins by radioimmuno assay
50008317	59	ChEMBL_1870350 (CHEMBL4371517)	Agonist activity at kappa opioid receptor (unknown origin) assessed as increase in venus-tagged N-terminal beta-arrestin-2 recruitment by BRET assay
50008317	60	ChEMBL_1870459 (CHEMBL4371626)	Agonist activity at APJ receptor (unknown origin) assessed as increase in beta-arrestin recruitment
50008317	61	ChEMBL_1870372 (CHEMBL4371539)	Partial agonist activity at full-length Renilla luciferase 8 fused with c-terminal human kappa opioid receptor expressed in HEK293T cells assessed as increase in beta-arrestin recruitment after 5 mins by BRET assay
50008317	62	ChEMBL_1870433 (CHEMBL4371600)	Agonist activity at CB1 receptor (unknown origin) assessed as increase in cAMP accumulation after 1 hr by FLIPR assay
50008317	63	ChEMBL_1870467 (CHEMBL4371634)	Antagonist activity at ETA receptor (unknown origin) assessed as increase in G protein-mediated vasoconstriction
50008317	64	ChEMBL_1870452 (CHEMBL4371619)	Agonist activity at human APJ receptor assessed as Gi activation
50008317	65	ChEMBL_1870352 (CHEMBL4371519)	Binding affinity to human AT1 receptor
50008317	66	ChEMBL_1870427 (CHEMBL4371594)	Agonist activity at histamine H4 receptor (unknown origin) assessed as increase in beta-arrestin recruitment
50008317	67	ChEMBL_1870451 (CHEMBL4371618)	Agonist activity at human APJ receptor assessed as increase in beta-arrestin2 recruitment
50008317	68	ChEMBL_1870457 (CHEMBL4371624)	Agonist activity at GFP10 tagged human APJ receptor expressed in HEK293 cells harboring Rluc2-Galpha0A/GFP10-Ggamma/Gbeta1 after 5 mins by BRET assay
50008317	69	ChEMBL_1870470 (CHEMBL4371637)	Agonist activity at GPR109A (unknown origin) assessed as inhibition of forskolin-mediated cAMP accumulation after 15 mins by fluorescence assay
50008317	70	ChEMBL_1870406 (CHEMBL4371573)	Agonist activity at dopamine D2 receptor (unknown origin) by cAMP accumulation assay
50008317	71	ChEMBL_1870402 (CHEMBL4371569)	Agonist activity at dopamine D2 receptor (unknown origin) assessed as inhibition of forskolin-mediated cAMP accumulation after 1 hr by FLIPR assay
50008317	72	ChEMBL_1870394 (CHEMBL4371561)	Inverse agonist activity at dopamine D2 receptor (unknown origin) assessed as inhibition of forskolin-mediated cAMP accumulation after 20 mins by radiometric assay
50008317	73	ChEMBL_1870380 (CHEMBL4371547)	Agonist activity at FLAG-tagged human kappa opioid receptor expressed in HEK293 cells assessed as increase in beta-arrestin mediated p38 phosphorylation after 5 mins by Western blot analysis
50008317	74	ChEMBL_1870386 (CHEMBL4371553)	Agonist activity at human NOPR expressed in human BHK cells assessed as increase in beta-arrestin-1 recruitment
50008317	75	ChEMBL_1870453 (CHEMBL4371620)	Agonist activity at human APJ receptor assessed as Go activation
50008318	1	ChEMBL_1870519 (CHEMBL4371686)	Inhibition of recombinant human DGAT2
50008318	2	ChEMBL_1870514 (CHEMBL4371681)	Inhibition of recombinant human MGAT2
50008318	3	ChEMBL_1870511 (CHEMBL4371678)	Inhibition of recombinant human MGAT2 expressed in sf9 cells using 2-monooleoyl glycerol/[14C]-oleoyl CoA as substrate by microscintillation counting method
50008318	4	ChEMBL_1870503 (CHEMBL4371670)	Inhibition of recombinant human MGAT2 using 2-monooleoyl glycerol/[1-14C]-oleoyl CoA as substrate after 30 mins by liquid scintillation counting method
50008318	5	ChEMBL_1870515 (CHEMBL4371682)	Inhibition of recombinant mouse MGAT2
50008322	1	ChEMBL_1870524 (CHEMBL4371691)	Displacement of [3H]-N-methylspiperone from dopamine D3 receptor (unknown origin) expressed in HEK293 cell membranes
50008322	2	ChEMBL_1870525 (CHEMBL4371692)	Displacement of [3H]-N-methylspiperone from dopamine D4 receptor (unknown origin) expressed in HEK293 cell membranes
50008322	3	ChEMBL_1870523 (CHEMBL4371690)	Displacement of [3H]-Way100635 from 5HT1A (unknown origin) expressed in CHO cell membranes
50008323	1	ChEMBL_1870529 (CHEMBL4371696)	Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor after 120 mins by scintillation spectrometry
50008323	2	ChEMBL_1870528 (CHEMBL4371695)	Displacement of [3H]-CCR2-RA-[R] from human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor after 120 mins by scintillation spectrometry
50008323	3	ChEMBL_1870532 (CHEMBL4371699)	Antagonist activity at human TEV protease site linked CCR1 expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assessed as reduction in CCL3-induced G-protein activation preincubated for 30 mins in presence of CCL3 followed by incubation of 90 mins by [35S]GTPgammaS binding assay
50008323	4	ChEMBL_1870533 (CHEMBL4371700)	Antagonist activity at human TEV protease site linked CCR2b expressed in human U20S cell membranes co-expressing Gal4-VP16 transcription factor assessed as reduction in CCL2-induced G-protein activation preincubated for 30 mins in presence of CCL2 followed by incubation of 90 mins by [35S]GTPgammaS binding assay
50008324	1	ChEMBL_1870541 (CHEMBL4371708)	Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-Val-Tyr-AMC as substrate pretreated for 15 mins followed by substrate addition by fluorescence assay
50008325	1	ChEMBL_1870563 (CHEMBL4371730)	Activation of human metabotropic glutamate 4 receptor expressed in golden hamster AV12-664 cells
50008325	2	ChEMBL_1870565 (CHEMBL4371732)	Activation of human metabotropic glutamate 8 receptor expressed in golden hamster AV12-664 cells
50008325	3	ChEMBL_1870564 (CHEMBL4371731)	Activation of human metabotropic glutamate 6 receptor expressed in golden hamster AV12-664 cells
50008326	1	ChEMBL_1870567 (CHEMBL4371734)	Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding preincubated for 4 hrs followed by NO711 addition and measured after 40 mins by LC-ESI-MS/MS analysis
50008326	2	ChEMBL_1870574 (CHEMBL4371741)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50008326	3	ChEMBL_1870585 (CHEMBL4371752)	Inhibition of NO711 binding to human GAT1 expressed in COS cell membranes by LC-ESI-MS/MS analysis
50008326	4	ChEMBL_1870569 (CHEMBL4371736)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50008326	5	ChEMBL_1870568 (CHEMBL4371735)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 10 mins by liquid scintillation counting method
50008326	6	ChEMBL_1870572 (CHEMBL4371739)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by liquid scintillation counting method
50008326	7	ChEMBL_1870580 (CHEMBL4371747)	Competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 1 uM preincubated for 25 mins followed by [2H6]GABA addition and measured after 4 mins by liquid scintillation counting method (Rvb = 28.3 +/- 1.5 nM)
50008326	8	ChEMBL_1870582 (CHEMBL4371749)	Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 1 uM preincubated for 25 mins followed by [2H6]GABA addition and measured after 4 mins by liquid scintillation counting method (Rvb = 28.3 +/- 1.5 nM)
50008326	9	ChEMBL_1870584 (CHEMBL4371751)	Non-competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 10 uM preincubated for 25 mins followed by [2H6]GABA addition and measured after 4 mins by liquid scintillation counting method (Rvb = 28.3 +/- 1.5 nM)
50008326	10	ChEMBL_1870586 (CHEMBL4371753)	Inhibition of NO711 binding to human GAT1 expressed in COS cell membranes preincubated for 25 mins by LC-ESI-MS/MS analysis
50008326	11	ChEMBL_1870578 (CHEMBL4371745)	Competitive inhibition of human GAT1 expressed in COS cells assessed as reduction in [2H6]GABA uptake by measuring [2H6]GABA Kd(app) at 100 nM preincubated for 25 mins followed by [2H6]GABA addition and measured after 4 mins by liquid scintillation counting method (Rvb = 28.3 +/- 1.5 nM)
50008327	1	ChEMBL_1870637 (CHEMBL4371804)	Negative allosteric modulation of 10 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured every 1 min up to 60 mins by fluorescence assay
50008327	2	ChEMBL_1870630 (CHEMBL4371797)	Negative allosteric modulation of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured every 2 mins up to 60 mins by fluorescence assay
50008327	3	ChEMBL_1870636 (CHEMBL4371803)	Negative allosteric modulation of 1 uM Rpt5-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured every 1 min up to 60 mins by fluorescence assay
50008327	4	ChEMBL_1870633 (CHEMBL4371800)	Non-competitive mixed-type inhibition of SDS-activated human erythrocytes 20S proteasome chymotrypsin like activity using Suc-LLVY-AMC as substrate measured every 2 mins up to 60 mins by fluorescence assay
50008328	1	ChEMBL_1870668 (CHEMBL4371835)	Antagonist activity at CCR1 in human THP1 cells assessed as inhibition of chemotaxis after 30 mins by Celltiter-glo reagent based luminescence assay
50008328	2	ChEMBL_1870667 (CHEMBL4371834)	Antagonist activity at recombinant CCR1 (unknown origin) expressed in non-adherent cells co-expressing Galpha16 assessed as inhibition of MIP-1 alpha-induced calcium flux by Fluo-4 NW or Calcium 4 dye based FLIPR TETRA assay
50008331	1	ChEMBL_1870690 (CHEMBL4371857)	Binding affinity to recombinant human N-terminal poly histidine-tagged PTP1B (Glu2 to Asn321 residues) expressed in Escherichia coli by surface plasmon resonance analysis
50008331	2	ChEMBL_1870692 (CHEMBL4371859)	Inhibition of recombinant human N-terminal poly histidine-tagged PTP1B (Glu2 to Asn321 residues) expressed in Escherichia coli using pNPP as substrate measured for 4 mins
50008332	1	ChEMBL_1870735 (CHEMBL4371902)	Inhibition of human GAT3 expressed in COS7 cells assessed as reduction in [2H6]GABA uptake preincubated for 25 mins followed by [2H6]GABA addition and measured after 6 mins by LC-MS/MS analysis
50008332	2	ChEMBL_1870734 (CHEMBL4371901)	Inhibition of mouse GAT4 expressed in HEK cells assessed as reduction in [3H]GABA uptake by measuring remaining [3H]GABA uptake levels preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting analysis
50008332	3	ChEMBL_1870728 (CHEMBL4371895)	Inhibition of mouse GAT1 expressed in HEK cells assessed as reduction in [3H]GABA uptake by measuring remaining [3H]GABA uptake levels preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting analysis
50008332	4	ChEMBL_1870732 (CHEMBL4371899)	Inhibition of mouse GAT3 expressed in HEK cells assessed as reduction in [3H]GABA uptake by measuring remaining [3H]GABA uptake levels preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting analysis
50008332	5	ChEMBL_1870730 (CHEMBL4371897)	Inhibition of mouse GAT2 expressed in HEK cells assessed as reduction in [3H]GABA uptake by measuring remaining [3H]GABA uptake levels preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting analysis
50008334	1	ChEMBL_1870780 (CHEMBL4371947)	Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay
50008334	2	ChEMBL_1870781 (CHEMBL4371948)	Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay
50008334	3	ChEMBL_1870799 (CHEMBL4371966)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 10 mins by LC-MS/MS analysis
50008334	4	ChEMBL_1870801 (CHEMBL4371968)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 40 mins by LC-MS/MS analysis
50008334	5	ChEMBL_1870804 (CHEMBL4371971)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 10 mins by LC-MS/MS analysis
50008334	6	ChEMBL_1870800 (CHEMBL4371967)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 10 mins by LC-MS/MS analysis
50008334	7	ChEMBL_1870802 (CHEMBL4371969)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 10 mins by LC-MS/MS analysis
50008334	8	ChEMBL_1870803 (CHEMBL4371970)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured after 10 mins by LC-MS/MS analysis
50008335	1	ChEMBL_1870941 (CHEMBL4372108)	Inhibition of (2S,8S,11S,14S)-2-(4-aminobutyl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-(hydroxymethyl)-4,7,10,13,16,32-hexaoxo-36-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-19,22,25,28-tetraoxa-3,6,9,12,15,31-hexaazahexatriacontan-1-oic acid binding to human Hsp72 SBD expressed in Escherichia coli BL21 (DE3) by Western blot analysis
50008336	1	ChEMBL_1870946 (CHEMBL4372113)	Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins by scintillation counting method
50008336	2	ChEMBL_1870953 (CHEMBL4372120)	Inhibition of PDE5 (unknown origin)
50008338	1	ChEMBL_1871016 (CHEMBL4372183)	Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate after 30 mins
50008338	2	ChEMBL_1871023 (CHEMBL4372190)	Inhibition of activated beta-factor 9 (unknown origin) using Boc-QGR-MCA as substrate after 30 mins relative to untreated control
50008338	3	ChEMBL_1871026 (CHEMBL4372193)	Inhibition of human thrombin using Ac-ATPR-pNA as substrate after 30 mins relative to untreated control
50008338	4	ChEMBL_1871029 (CHEMBL4372196)	Inhibition of activated beta-factor 11 (unknown origin) using Bz-FVRpNA as substrate after 30 mins relative to untreated control
50008338	5	ChEMBL_1871015 (CHEMBL4372182)	Inhibition of bovine cationic trypsin using Bz-FVR-pNA as substrate after 30 mins
50008338	6	ChEMBL_1871018 (CHEMBL4372185)	Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate after 30 mins
50008338	7	ChEMBL_1871021 (CHEMBL4372188)	Inhibition of human thrombin using Ac-ATPR-pNA as substrate after 30 mins
50008338	8	ChEMBL_1871024 (CHEMBL4372191)	Inhibition of activated factor 10 (unknown origin) using Ac-QRSR-pNA as substrate after 30 mins relative to untreated control
50008338	9	ChEMBL_1871025 (CHEMBL4372192)	Inhibition of activated beta-factor 12 (unknown origin) using Ac-QRFR-pNA as substrate after 30 mins relative to untreated control
50008338	10	ChEMBL_1871027 (CHEMBL4372194)	Inhibition of tPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control
50008338	11	ChEMBL_1871028 (CHEMBL4372195)	Inhibition of uPA (unknown origin) using Z-Pyr-Gly-Arg-MCA as substrate after 30 mins relative to untreated control
50008338	12	ChEMBL_1871030 (CHEMBL4372197)	Inhibition of plasma KLK (unknown origin) using Ac-NLTR-pNA as substrate after 30 mins relative to untreated control
50008338	13	ChEMBL_1871031 (CHEMBL4372198)	Inhibition of matriptase (unknown origin) using Boc-QAR-MCA as substrate after 30 mins relative to untreated control
50008338	14	ChEMBL_1871039 (CHEMBL4372206)	Inhibition of recombinant human matriptase catalytic domain pre-incubated for 60 mins before Boc QAR-AMC substrate addition
50008338	15	ChEMBL_1871022 (CHEMBL4372189)	Inhibition of matriptase (unknown origin) using Boc-QAR-MCA as substrate after 30 mins
50008338	16	ChEMBL_1871020 (CHEMBL4372187)	Inhibition of plasma KLK (unknown origin) using Ac-NLTR-pNA as substrate after 30 mins
50008338	17	ChEMBL_1871017 (CHEMBL4372184)	Inhibition of human beta-factor 12a using Ac-QRFR-pNA as substrate after 30 mins
50008338	18	ChEMBL_1871019 (CHEMBL4372186)	Inhibition of activated beta-factor 11 (unknown origin) using Bz-FVRpNA as substrate after 30 mins
50008340	1	ChEMBL_1871061 (CHEMBL4372228)	Inhibition of human ERG
50008341	1	ChEMBL_1871062 (CHEMBL4372229)	Inhibition of recombinant human pro-MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins in presence of APMA by fluorometric assay
50008341	2	ChEMBL_1871065 (CHEMBL4372232)	Inhibition of recombinant human MT1-MMP catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 min by fluorometric assay
50008341	3	ChEMBL_1871064 (CHEMBL4372231)	Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins in presence of APMA by fluorometric assay
50008341	4	ChEMBL_1871063 (CHEMBL4372230)	Inhibition of recombinant human proMMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins in presence of APMA by fluorometric assay
50008342	1	ChEMBL_1871083 (CHEMBL4372250)	Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 (E23 to H252 residues) using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence analysis
50008342	2	ChEMBL_1871085 (CHEMBL4372252)	Inhibition of enterokinase activated recombinant mouse C-terminal His6-tagged KLK7 (Gln22 to Arg249 residues) using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence analysis
50008343	1	ChEMBL_1871086 (CHEMBL4372253)	Inhibition of recombinant 6His-Tev-tagged LRRK2 (1326 to 2527) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-RLGRDKYKTLRQIRQGNTKQR-OH as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by TR-FRET assay
50008343	2	ChEMBL_1871104 (CHEMBL4372271)	Inhibition of human ERG by IonWork assay
50008343	3	ChEMBL_1871103 (CHEMBL4372270)	Inhibition of OATP1B1 (unknown origin)
50008343	4	ChEMBL_1871101 (CHEMBL4372268)	Inhibition of human CYP3A4 using atorvastatin as substrate
50008343	5	ChEMBL_1871094 (CHEMBL4372261)	Inhibition of parkinson's patient-derived LRRK2 G2019S mutant
50008343	6	ChEMBL_1871102 (CHEMBL4372269)	Activation of human PXR
50008343	7	ChEMBL_1871095 (CHEMBL4372262)	Inhibition of human lymphoblastoid cell-derived LRRK2
50008344	1	ChEMBL_1871115 (CHEMBL4372282)	Inhibition of recombinant full-length human N-terminal GST-fused BTK (2 to 659 residues) expressed in baculovirus expression system using biotin-labelled peptide as substrate measured after 50 mins by TR-FRET assay
50008345	1	ChEMBL_1871153 (CHEMBL4372320)	Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50008345	2	ChEMBL_1871159 (CHEMBL4372326)	Inhibition of recombinant human TDP2 using T5PNP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50008347	1	ChEMBL_1871160 (CHEMBL4372327)	Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using IGF-R1tide as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	2	ChEMBL_1871174 (CHEMBL4372341)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50008347	3	ChEMBL_1871176 (CHEMBL4372343)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50008347	4	ChEMBL_1871177 (CHEMBL4372344)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50008347	5	ChEMBL_1871175 (CHEMBL4372342)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50008347	6	ChEMBL_1871178 (CHEMBL4372345)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50008347	7	ChEMBL_1871189 (CHEMBL4372356)	Inhibition of recombinant human N-terminal GST-tagged FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 insect cells using IGF-IRtide (12-527) as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	8	ChEMBL_1871190 (CHEMBL4372357)	Inhibition of recombinant human N-terminal His6-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells using MBP as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	9	ChEMBL_1871192 (CHEMBL4372359)	Inhibition of recombinant human N-terminal His6-tagged Tie2 (771 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	10	ChEMBL_1871187 (CHEMBL4372354)	Inhibition of recombinant human N-terminal His6-tagged DDR2 (467 to end residues) expressed in baculovirus infected Sf21 insect cells using Axltide as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	11	ChEMBL_1871181 (CHEMBL4372348)	Displacement of Tracer Red from human ERG by fluorescence polarization assay
50008347	12	ChEMBL_1871188 (CHEMBL4372355)	Inhibition of recombinant human N-terminal GST-tagged c-RAF Y340D/Y341D double mutant (306 to 648 residues) expressed in baculovirus infected Sf21 insect cells using MEK1(K97R) as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008347	13	ChEMBL_1871191 (CHEMBL4372358)	Inhibition of recombinant human N-terminal GST-tagged MELK (1 to 340 residues) expressed in baculovirus infected Sf21 insect cells using KKLNRTLSFAEPG as substrate in presence of [gamma-33P]-ATP or [gamma-32P]-ATP
50008350	1	ChEMBL_1871220 (CHEMBL4372387)	Non-competitive inhibition of human acid ceramidase
50008351	1	ChEMBL_1871255 (CHEMBL4372422)	Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 393 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	2	ChEMBL_1871280 (CHEMBL4372447)	Inhibition of human PTPRJ (1019 to 1311 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	3	ChEMBL_1871283 (CHEMBL4372450)	Inhibition of human PTEN (1 to 403 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	4	ChEMBL_1871279 (CHEMBL4372446)	Inhibition of human PTPRE (107 to 707 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	5	ChEMBL_1871278 (CHEMBL4372445)	Inhibition of human SHP2 (246 to 527 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	6	ChEMBL_1871277 (CHEMBL4372444)	Inhibition of human SHP1 (245 to 521 residues) expressed in Escherichia coli strain BL21(DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	7	ChEMBL_1871268 (CHEMBL4372435)	Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) assessed as dissociation rate constant using DiFMUP as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins fluorescence assay
50008351	8	ChEMBL_1871266 (CHEMBL4372433)	Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) by switch sense technology based assay
50008351	9	ChEMBL_1871257 (CHEMBL4372424)	Inhibition of human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	10	ChEMBL_1871256 (CHEMBL4372423)	Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 336 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008351	11	ChEMBL_1871267 (CHEMBL4372434)	Binding affinity to human N-terminal His6-tagged PTP1B catalytic domain (1 to 298 residues) expressed in Escherichia coli strain Rosetta2 (DE3) assessed as association rate constant using DiFMUP as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins fluorescence assay
50008351	12	ChEMBL_1871258 (CHEMBL4372425)	Inhibition of human N-terminal His6-tagged TCPTP catalytic domain (1 to 296 residues) expressed in Escherichia coli strain Rosetta2 (DE3) using DiFMUP as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50008352	1	ChEMBL_1871301 (CHEMBL4372468)	Positive allosteric modulation of human D1R expressed in CHO cells assessed as 2-fold increase in dopamine-induced cAMP accumulation preincubated for 10 mins followed by dopamine addition and measured after 20 mins by fluorescence assay
50008352	2	ChEMBL_1871317 (CHEMBL4372484)	Positive allosteric modulation of mouse D1R expressed in HEK293 cells assessed as increase in dopamine-induced cAMP accumulation after 60 mins by HTRF assay
50008352	3	ChEMBL_1871299 (CHEMBL4372466)	Positive allosteric modulation of human D1R expressed in HEK293 cells assessed as increase in dopamine-induced cAMP accumulation after 60 mins by HTRF assay
50008352	4	ChEMBL_1871311 (CHEMBL4372478)	Positive allosteric modulation of D1R (unknown origin) by HTS assay
50008352	5	ChEMBL_1871306 (CHEMBL4372473)	Agonist activity at D2 receptor (unknown origin)
50008352	6	ChEMBL_1871305 (CHEMBL4372472)	Positive allosteric modulation of human D1R expressed in HEK cells assessed as increase in dopamine-induced cAMP accumulation
50008352	7	ChEMBL_1871300 (CHEMBL4372467)	Partial agonist activity at human D1R
50008352	8	ChEMBL_1871304 (CHEMBL4372471)	Positive allosteric modulation of human D1R expressed in CHO cells assessed as increase in dopamine-induced cAMP accumulation
50008352	9	ChEMBL_1871294 (CHEMBL4372461)	Positive allosteric modulation of rat D1R expressed in HEK293 cells assessed as increase in dopamine-induced cAMP accumulation after 60 mins by HTRF assay
50008352	10	ChEMBL_1871308 (CHEMBL4372475)	Positive allosteric modulation of rat D1R expressed in HEK cells assessed as increase in dopamine-induced cAMP accumulation relative to control
50008354	1	ChEMBL_1871320 (CHEMBL4372487)	Displacement of biotin-labeled geldanamycin from His-tagged HSP90alpha NTD (unknown origin) preincubated for 2 hrs followed by biotin-labeled geldanamycin addition and measured after 1 hr by AlphaScreen assay
50008355	1	ChEMBL_1871369 (CHEMBL4372536)	Inhibition of AchE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 20 secs for 20 times by Ellman's assay
50008357	1	ChEMBL_1871560 (CHEMBL4372727)	Inhibition of recombinant His6-tagged Kif15 (N700 residues) (unknown origin) expressed in HeLa cells assessed as reduction in Alexa-594 labelled microtubule gliding measured every 2 secs for 20 secs by epifluorescence microscopic analysis
50008357	2	ChEMBL_1871559 (CHEMBL4372726)	Inhibition of recombinant His6-tagged Kif15 ATPase activity (N420 residues) (unknown origin) expressed in HeLa cells using microtubule as substrate preincubated for 15 mins followed by ATP addition and measured after 20 mins by ADP-Glo luminescence assay
50008357	3	ChEMBL_1871573 (CHEMBL4372740)	Inhibition of recombinant C-terminal truncated His6-tagged Kif15 (N700 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in microtubule gliding measured up to 2 mins
50008358	1	ChEMBL_1871586 (CHEMBL4372753)	Inhibition of recombinant full-length N-terminal His6-tagged PRMT1 (unknown origin) using AcH4-21 peptide substrate preincubated for 10 mins followed by substrate/14C-methyl-SAM addition and measured after 15 mins by phosphorimaging analysis based radioisotopic assay
50008358	2	ChEMBL_1871587 (CHEMBL4372754)	Inhibition of recombinant full-length N-terminal His6-tagged PRMT5 (unknown origin) using AcH4-21 peptide substrate preincubated for 10 mins followed by substrate/14C-methyl-SAM addition and measured after 15 mins by phosphorimaging analysis based radioisotopic assay
50008359	1	ChEMBL_1871614 (CHEMBL4372781)	Inhibition of MMP2 (unknown origin) preincubated for 1 hr followed by (QF)-24 substrate addition measured at 1 min time interval for 1 hr by fluorescence assay
50008359	2	ChEMBL_1871615 (CHEMBL4372782)	Inhibition of MMP9 (unknown origin) preincubated for 1 hr followed by (QF)-24 substrate addition measured at 1 min time interval for 1 hr by fluorescence assay
50008359	3	ChEMBL_1871620 (CHEMBL4372787)	Inhibition of human APN expressed in HEK293 cells preincubated for 20 mins followed by L-leucine-7-amido-4-methylcoumarin addition by fluorescence assay
50008360	1	ChEMBL_1871622 (CHEMBL4372789)	Inhibition of mouse TRPC5 expressed in Flp-In-T-Rex-HEK293 cells assessed as reduction in rulizole-induced channel current by automated patch clamp method
50008363	1	ChEMBL_1871630 (CHEMBL4372797)	Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 120 mins by scintillation counting method
50008363	2	ChEMBL_1871628 (CHEMBL4372795)	Displacement of [3H]DPDPE from DOR in Sprague-Dawley rat brain membranes after 120 mins by scintillation counting method
50008363	3	ChEMBL_1871627 (CHEMBL4372794)	Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 120 mins by scintillation counting method
50008363	4	ChEMBL_1871643 (CHEMBL4372810)	Agonist activity at Tango-KOR (unknown origin) expressed in HTLA cells harboring TEV-fused-beta-arrestin 2 assessed as increase in beta arrestin 2 recruitment after overnight incubation by BrightGlo reagent based assay
50008363	5	ChEMBL_1871626 (CHEMBL4372793)	Displacement of [3H]U-69,593 from KOR in guinea pig brain membranes after 120 mins by scintillation counting method
50008363	6	ChEMBL_1871635 (CHEMBL4372802)	Displacement of [3H]diprenorphine from human KOR expressed in HEK293T cell membranes after 120 mins by scintillation counting method
50008363	7	ChEMBL_1871637 (CHEMBL4372804)	Agonist activity at human KOR expressed in HEK293T cells assessed as inhibition of Galphai-mediated cAMP accumulation after 15 mins by microbeta counting assay
50008363	8	ChEMBL_1871629 (CHEMBL4372796)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method
50008364	1	ChEMBL_1871670 (CHEMBL4372837)	Displacement of [3H]LSD from 5HT2B receptor (unknown origin) expressed in HEK293 cell membranes
50008364	2	ChEMBL_1871669 (CHEMBL4372836)	Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin) expressed in HEK293T cell membranes
50008364	3	ChEMBL_1871671 (CHEMBL4372838)	Displacement of [3H]mesulergine from 5HT2C receptor (unknown origin) expressed in HEK293T cell membranes
50008364	4	ChEMBL_1871675 (CHEMBL4372842)	Displacement of [3H]DOI from recombinant human 5HT2B receptor expressed in HEK293T cell membranes after 1 hr by beta scintillation counting method
50008364	5	ChEMBL_1871674 (CHEMBL4372841)	Displacement of [3H]DOI from recombinant human 5HT2A receptor expressed in HEK293T cell membranes after 1 hr by beta scintillation counting method
50008364	6	ChEMBL_1871676 (CHEMBL4372843)	Displacement of [3H]DOI from recombinant human 5HT2C receptor expressed in HEK293T cell membranes after 1 hr by beta scintillation counting method
50008365	1	ChEMBL_1871705 (CHEMBL4372872)	Inhibition of Mycobacterium tuberculosis PTPB using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 2 to 6 mins
50008365	2	ChEMBL_1871707 (CHEMBL4372874)	Competitive inhibition of Mycobacterium tuberculosis PTPB using varying levels of pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 2 to 6 mins by Lineweaver-burk plot analysis
50008365	3	ChEMBL_1871702 (CHEMBL4372869)	Inhibition of Mycobacterium tuberculosis full-length N-terminal His6-tagged PTPB expressed in Escherichia coli BL21 DE3 using pNPP as substrate after 5 mins by spectrophotometric method
50008366	1	ChEMBL_1871839 (CHEMBL4373006)	Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level
50008366	2	ChEMBL_1871838 (CHEMBL4373005)	Inhibition of human ERG
50008366	3	ChEMBL_1871835 (CHEMBL4373002)	Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay
50008366	4	ChEMBL_1871836 (CHEMBL4373003)	Inhibition of PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay
50008367	1	ChEMBL_1871893 (CHEMBL4373060)	Inhibition of human N-terminal GST-tagged EGFR T790M/L858R double mutant (696 to end residues) expressed in baculovirus infected sf21 cells using poly(Glu, Tyr) 4:1 as substrate
50008367	2	ChEMBL_1871892 (CHEMBL4373059)	Inhibition of human N-terminal GST-tagged EGFR kinase domain (696 to end residues) expressed in baculovirus infected sf21 cells using poly(Glu, Tyr) 4:1 as substrate
50008367	3	ChEMBL_1871894 (CHEMBL4373061)	Inhibition of human C-terminal His6-tagged ERBB2 (676 to end residues) expressed in baculovirus infected sf21 cells using poly(Glu, Tyr) 4:1 as substrate
50008370	1	ChEMBL_1871915 (CHEMBL4373082)	Inhibition of PDE2 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008370	2	ChEMBL_1871919 (CHEMBL4373086)	Inhibition of PDE9 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008370	3	ChEMBL_1871940 (CHEMBL4373107)	Inhibition of PDE2 (unknown origin) using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50008370	4	ChEMBL_1871939 (CHEMBL4373106)	Inhibition of human PDE2 using c[8-3H]cAMP or c[8-3H]cGMP as substrate measured after 10 mins by liquid scintillation counting method
50008370	5	ChEMBL_1871918 (CHEMBL4373085)	Inhibition of PDE5 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008370	6	ChEMBL_1871917 (CHEMBL4373084)	Inhibition of PDE4 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008370	7	ChEMBL_1871916 (CHEMBL4373083)	Inhibition of PDE1 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008370	8	ChEMBL_1871920 (CHEMBL4373087)	Inhibition of PDE10 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method
50008374	1	ChEMBL_1871947 (CHEMBL4373114)	Displacement of [3H]NMS from human M5 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method
50008374	2	ChEMBL_1871941 (CHEMBL4373108)	Displacement of [3H]NMS from human M1 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method
50008374	3	ChEMBL_1871945 (CHEMBL4373112)	Displacement of [3H]NMS from human M3 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method
50008374	4	ChEMBL_1871943 (CHEMBL4373110)	Displacement of [3H]NMS from human M2 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method
50008374	5	ChEMBL_1871951 (CHEMBL4373118)	Displacement of [3H]NMS from human M4 AChR expressed in CHO cell membranes after 1 to 2 hrs by liquid scintillation spectrometry method
50008375	1	ChEMBL_1871973 (CHEMBL4373140)	Inhibition of human ERG expressed in CHO cells assessed as reduction in peak channel current by IonWork patch-clamp electrophysiology method
50008376	1	ChEMBL_1872027 (CHEMBL4373194)	Inhibition of recombinant human N-terminal His6-tagged matriptase catalytic domain expressed in Escherichia coli preincubated for 30 mins followed by Boc-QAR-AMC substrate addition and measured for 1 hr by fluorescence assay
50008376	2	ChEMBL_1872028 (CHEMBL4373195)	Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition and measured for 1 hr by fluorescence assay
50008376	3	ChEMBL_1872029 (CHEMBL4373196)	Inhibition of HGFA catalytic domain (unknown origin) preincubated for 30 mins followed by Boc-QLR-AMC substrate addition and measured for 1 hr by fluorescence assay
50008376	4	ChEMBL_1872026 (CHEMBL4373193)	Inhibition of matriptase (unknown origin)
50008376	5	ChEMBL_1872032 (CHEMBL4373199)	Inhibition of hepsin (unknown origin) expressed in MCF10A cells preincubated for 30 mins followed by Boc-QAR-AMC substrate addition and measured for 1 hr by fluorescence assay
50008378	1	ChEMBL_1872034 (CHEMBL4373201)	Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins followed by substrate addition and measured over 1 hr by fluorescence assay
50008379	1	ChEMBL_1872053 (CHEMBL4373220)	Inhibition of human Nav1.5 expressed in HEK293 cells after 600 secs at -50 mV holding potential by ion works barracuda population patch clamp method
50008379	2	ChEMBL_1872052 (CHEMBL4373219)	Inhibition of human Nav1.7 expressed in HEK293 cells after 600 secs at -60 mV holding potential by ion works barracuda population patch clamp method
50008379	3	ChEMBL_1872068 (CHEMBL4373235)	Inhibition of CYP2C19 in human liver microsomes
50008379	4	ChEMBL_1872054 (CHEMBL4373221)	Inhibition of recombinant human Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method
50008379	5	ChEMBL_1872078 (CHEMBL4373245)	Inhibition of recombinant mouse Nav1.7 expressed in HEK293 cells at -70 mV holding potential by patch clamp electrophysiology method
50008379	6	ChEMBL_1872065 (CHEMBL4373232)	Inhibition of CYP2B6 in human liver microsomes
50008379	7	ChEMBL_1872066 (CHEMBL4373233)	Inhibition of CYP2C8 in human liver microsomes
50008379	8	ChEMBL_1872067 (CHEMBL4373234)	Inhibition of CYP2C9 in human liver microsomes
50008379	9	ChEMBL_1872069 (CHEMBL4373236)	Inhibition of CYP2D6 in human liver microsomes
50008379	10	ChEMBL_1872070 (CHEMBL4373237)	Inhibition of CYP3A4 in human liver microsomes
50008379	11	ChEMBL_1872077 (CHEMBL4373244)	Inhibition of PXR (unknown origin)
50008379	12	ChEMBL_1872089 (CHEMBL4373256)	Inhibition of Nav1.7 in mouse DRG neurons at -70 mV holding potential by patch clamp electrophysiology method
50008379	13	ChEMBL_1872107 (CHEMBL4373274)	Inhibition of human Nav1.2 expressed in HEK293 cells after 600 secs at -60 mV holding potential by ion works barracuda population patch clamp method
50008379	14	ChEMBL_1872109 (CHEMBL4373276)	Inhibition of human Nav1.4 expressed in HEK293 cells after 600 secs at -60 mV holding potential by ion works barracuda population patch clamp method
50008379	15	ChEMBL_1872108 (CHEMBL4373275)	Inhibition of human Nav1.3 expressed in HEK293 cells after 600 secs at -60 mV holding potential by ion works barracuda population patch clamp method
50008380	1	ChEMBL_1872128 (CHEMBL4373295)	Inhibition of tRNA-activated deacetylation activity of recombinant human full length N-terminal His6-tagged SIRT7 expressed in Escherichia coli using H2N-GGKAPR-[Nepsilon-acetyl-lysine]-QLATKA-CONH2 as substrate measured after 30 mins by HPLC analysis
50008380	2	ChEMBL_1872133 (CHEMBL4373300)	Inhibition of desuccinylation activity of recombinant human full length N-terminal GST-tagged SIRT5 expressed in Escherichia coli using CH3CONH-AR-[Nepsilon-succinyl-lysine]-ST-CONH2 as substrate measured after 5 mins by HPLC analysis
50008380	3	ChEMBL_1872132 (CHEMBL4373299)	Inhibition of demyristoylation activity of recombinant human full length N-terminal His6-tagged SIRT6 expressed in Escherichia coli using H2N-EALPK-[Nepsilon-myristoyl-lysine]-TGGPQ-CONH2 as substrate measured after 12 mins by HPLC analysis
50008380	4	ChEMBL_1872131 (CHEMBL4373298)	Inhibition of deacetylation activity of recombinant human N-terminal His6-tagged SIRT3 (101 to 399 residues) expressed in Escherichia coli using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate measured after 10 mins by HPLC analysis
50008380	5	ChEMBL_1872129 (CHEMBL4373296)	Inhibition of recombinant human SIRT1 deacetylase activity using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate measured after 10 mins by HPLC analysis
50008380	6	ChEMBL_1872130 (CHEMBL4373297)	Inhibition of deacetylation activity of recombinant human N-terminal His6-tagged SIRT2 (2 to 389 residues) expressed in Escherichia coli using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate measured after 12 mins by HPLC analysis
50008382	1	ChEMBL_1872148 (CHEMBL4373315)	Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins by scintillation counting method
50008382	2	ChEMBL_1872150 (CHEMBL4373317)	Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins in presence of Triton-X-100 by scintillation counting method
50008382	3	ChEMBL_1872146 (CHEMBL4373313)	Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins in presence of calf thymus DNA by scintillation counting method
50008385	1	ChEMBL_1872154 (CHEMBL4373321)	Inhibition of calpain-2 (unknown origin)
50008386	1	ChEMBL_1872173 (CHEMBL4373340)	Inhibition of human URAT1
50008386	2	ChEMBL_1872172 (CHEMBL4373339)	Inhibition of human URAT1 expressed in HEK293 cells assessed as reduction in [8-14C]uric acid uptake
50008387	1	ChEMBL_1872174 (CHEMBL4373341)	Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50008388	1	ChEMBL_1872181 (CHEMBL4373348)	Inhibition of CYP1A2 (unknown origin)
50008388	2	ChEMBL_1872177 (CHEMBL4373344)	Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilization
50008388	3	ChEMBL_1872182 (CHEMBL4373349)	Inhibition of CYP2C9 (unknown origin)
50008389	1	ChEMBL_1872184 (CHEMBL4373351)	Inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by proteinase-coupled based spectrophotometric method
50008389	2	ChEMBL_1872186 (CHEMBL4373353)	Irreversible inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by proteinase-coupled based spectrophotometric method
50008389	3	ChEMBL_1872194 (CHEMBL4373361)	Inhibition of recombinant Pin1 (unknown origin) using Suc-AEPF-MCA as substrate preincubated followed by substrate addition and measured after 60 to 180 mins by proteinase-coupled based fluorescence method
50008390	1	ChEMBL_1872195 (CHEMBL4373362)	Agonist activity at full length human LXRalpha expressed in HEK293 cells harboring LXRE-Luc promoter by luciferase reporter gene assay
50008390	2	ChEMBL_1872197 (CHEMBL4373364)	Agonist activity at full length human LXRbeta expressed in HEK293 cells harboring LXRE-Luc promoter by luciferase reporter gene assay
50008393	1	ChEMBL_1872203 (CHEMBL4373370)	Stimulation of human 20S proteasome using 11 amino acid FRET peptide as substrate measured every 2 mins over 1 hr by FRET assay
50008395	1	ChEMBL_1872215 (CHEMBL4373382)	Inhibition of human full-length PDE4D2 expressed in Sf9 insect cells using cAMP as substrate measured after 60 mins
50008395	2	ChEMBL_1872208 (CHEMBL4373375)	Inhibition of recombinant human N-terminal His-tagged PDE10A2 expressed in HEK293 cells using cAMP as substrate measured after 60 mins
50008395	3	ChEMBL_1872213 (CHEMBL4373380)	Inhibition of human PDE2A using cAMP as substrate measured after 60 mins
50008395	4	ChEMBL_1872214 (CHEMBL4373381)	Inhibition of human GST-tagged PDE3A (484 to end residues) using cAMP as substrate measured after 60 mins
50008395	5	ChEMBL_1872220 (CHEMBL4373387)	Inhibition of human ERG expressed in HEK293 cells by Qpatch method
50008398	1	ChEMBL_1872263 (CHEMBL4373430)	Inhibition of full-length human GST-tagged MALT1 isoform A (824 residues) expressed in Escherichia coli using Ac-LRSR-MCA as substrate after 1 hr by fluorescence assay
50008399	1	ChEMBL_1872288 (CHEMBL4373455)	Binding affinity to recombinant full length human N-terminal GST-tagged GSK3beta expressed in sf9 cells by SPR analysis
50008400	1	ChEMBL_1872408 (CHEMBL4373575)	Inhibition of recombinant human N-terminal GST-tagged VEGFR1 (K784 to I1338 residues) expressed in sf9 cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins in presence of [gamma33P]-ATP by scintillation counting method
50008400	2	ChEMBL_1872428 (CHEMBL4373595)	Inhibition of ADH1 (unknown origin) preincubated for 2 hrs followed by substrate/NAD+ addition
50008400	3	ChEMBL_1872409 (CHEMBL4373576)	Inhibition of recombinant human N-terminal GST-tagged VEGFR2 (D807 to V1356 residues) expressed in sf9 cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins in presence of [gamma33P]-ATP by scintillation counting method
50008400	4	ChEMBL_1872407 (CHEMBL4373574)	Inhibition of recombinant human N-terminal GST/His6-tagged c-KIT (T544 to V976 residues) expressed in sf9 cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins in presence of [gamma33P]-ATP by scintillation counting method
50008400	5	ChEMBL_1872410 (CHEMBL4373577)	Inhibition of recombinant human N-terminal GST/His6-tagged VEGFR3 (N799 to R1298 residues) expressed in sf9 cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins in presence of [gamma33P]-ATP by scintillation counting method
50008400	6	ChEMBL_1872406 (CHEMBL4373573)	Inhibition of recombinant human N-terminal GST/His6-tagged ABL2 (M1 to P650 residues) expressed in sf9 cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins in presence of [gamma33P]-ATP by scintillation counting method
50008401	1	ChEMBL_1873625 (CHEMBL4374914)	Inhibition of PHD2 (181 to 426 residues) (unknown origin) using FITC-HIF1alpha (556 to 574 residues) as substrate after 60 mins by fluorescence polarization assay
50008402	1	ChEMBL_1873647 (CHEMBL4374936)	Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl coenzyme A and N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin) as substrate incubated for 60 mins by Alpha screen technology
50008402	2	ChEMBL_1873649 (CHEMBL4374938)	Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 15 uM acetyl coenzyme A and N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin) as substrate incubated for 60 mins by Alpha screen technology
50008402	3	ChEMBL_1873650 (CHEMBL4374939)	Inhibition of KAT6A in C57BL/6 mouse embryonic fibroblasts assessed as reduction in cell proliferation after 10 days
50008402	4	ChEMBL_1873651 (CHEMBL4374940)	Inhibition of N-terminal GST-tagged recombinant human KAT6B (431 to end residues) expressed in baculovirus infected Sf9 insect cells using acetyl coenzyme A and N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin) as substrate incubated for 60 mins by Alpha screen technology
50008402	5	ChEMBL_1873648 (CHEMBL4374937)	Inhibition of p300 HAT domain (unknown origin) preincubated for 30 mins followed by histone H4 Peptide (Biotin-C6-GRGKGGKGLGKGGAK) and acetyl coenzyme A substrate addition and measured after 1 hr by SPA
50008403	1	ChEMBL_1873666 (CHEMBL4374955)	Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) preincubated for 10 mins followed by FC5 fluorescent substrate addition by fluorescence assay
50008405	1	ChEMBL_1873692 (CHEMBL4374981)	Inhibition of Escherichia coli ATCC 25922 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 30 mins by ethidium bromide staining based gel electrophoresis method
50008405	2	ChEMBL_1873691 (CHEMBL4374980)	Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromide staining based gel electrophoresis method
50008405	3	ChEMBL_1873690 (CHEMBL4374979)	Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromide staining based gel electrophoresis method
50008405	4	ChEMBL_1873687 (CHEMBL4374976)	Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated supercoiling of relaxed plasmid by fluorescence polarization assay
50008405	5	ChEMBL_1873693 (CHEMBL4374982)	Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 30 mins by ethidium bromide staining based gel electrophoresis method
50008405	6	ChEMBL_1873732 (CHEMBL4375021)	Inhibition of Escherichia coli DNA gyrase
50008405	7	ChEMBL_1873735 (CHEMBL4375024)	Inhibition of Staphylococcus aureus DNA topoisomerase 4
50008405	8	ChEMBL_1873686 (CHEMBL4374975)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 60 mins by ethidium bromide staining based gel electrophoresis method
50008405	9	ChEMBL_1873683 (CHEMBL4374972)	Inhibition of Escherichia coli DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins by electrophoresis method
50008405	10	ChEMBL_1873733 (CHEMBL4375022)	Inhibition of Staphylococcus aureus DNA gyrase
50008405	11	ChEMBL_1873730 (CHEMBL4375019)	Inhibition of human ERG
50008405	12	ChEMBL_1873684 (CHEMBL4374973)	Inhibition of Staphylococcus aureus DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins by electrophoresis method
50008405	13	ChEMBL_1873685 (CHEMBL4374974)	Inhibition of Escherichia coli DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 60 mins by ethidium bromide staining based gel electrophoresis method
50008406	1	ChEMBL_1873760 (CHEMBL4375049)	Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in baculovirus infected Sf9 insect cells using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008406	2	ChEMBL_1873759 (CHEMBL4375048)	Inhibition of wild-type EGFR (unknown origin) using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008407	1	ChEMBL_1873767 (CHEMBL4375056)	Antagonist activity at beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-induced cAMP production preincubated for 15 mins followed by isoproterenol addition and measured after 30 mins by TR-FRET assay
50008407	2	ChEMBL_1873770 (CHEMBL4375059)	Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintillation counting analysis
50008407	3	ChEMBL_1873771 (CHEMBL4375060)	Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintillation counting analysis
50008407	4	ChEMBL_1873769 (CHEMBL4375058)	Antagonist activity at beta2 adrenergic receptor (unknown origin) expressed in HEK293 cell assessed as inhibition of isoproterenol-induced cAMP production preincubated for 15 mins followed by isoproterenol addition and measured after 15 mins
50008407	5	ChEMBL_1873766 (CHEMBL4375055)	Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-induced cAMP production preincubated for 15 mins followed by isoproterenol addition and measured after 30 mins by TR-FRET assay
50008408	1	ChEMBL_1873778 (CHEMBL4375067)	Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA
50008408	2	ChEMBL_1873779 (CHEMBL4375068)	Inhibition of human fibronectin binding to human Integrin alpha2b beta3 receptor incubated for 1 hr by ELISA
50008408	3	ChEMBL_1873777 (CHEMBL4375066)	Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISA
50008408	4	ChEMBL_1873776 (CHEMBL4375065)	Binding affinity to integrin alphavbeta3 receptor in human WM115 cells assessed as inhibition of cell adhesion to vitronectin after 0.5 hr by fluorescence assay
50008411	1	ChEMBL_1873795 (CHEMBL4375084)	Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS cells after 2 hrs by fluorescence polarization assay
50008411	2	ChEMBL_1873796 (CHEMBL4375085)	Displacement of N-terminal fluorescein labelled Puma-BH3 peptide from human N-terminal thrombin cleavage site-fused/His6-tagged Bcl-2 expressed in Escherichia coliBL21(DE3) pLysS cells by fluorescence polarization assay
50008411	3	ChEMBL_1873797 (CHEMBL4375086)	Inhibition of Bcl-XL (unknown origin) by fluorescence polarization assay
50008411	4	ChEMBL_1873834 (CHEMBL4375123)	Inhibition of human CYP3A4
50008411	5	ChEMBL_1873842 (CHEMBL4375131)	Binding affinity to TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS cells by Isothermal Titration Calorimetry
50008411	6	ChEMBL_1873843 (CHEMBL4375132)	Binding affinity to TEV-fused His-tagged human Mcl-1 expressed in Escherichia coliBL21(DE3) pLysS cells by SPR analysis
50008413	1	ChEMBL_1873845 (CHEMBL4375134)	Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-3 assessed as inhibition of viral replication measured on day 3 post-infection by Nano-Glo luciferase assay
50008413	2	ChEMBL_1873846 (CHEMBL4375135)	Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3 assessed as induction of HIV-1 p24 production after 72 hrs by ELISA
50008414	1	ChEMBL_1873878 (CHEMBL4375167)	Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate in presence of 19 uM NAD+ and PSAT1 by diaphorase based luminescence assay
50008414	2	ChEMBL_1873879 (CHEMBL4375168)	Inhibition of N-terminal His6-tagged human PHGDH (4 to 315 residues) assessed as effect on NADH fluorescence incubated for 2 hrs using 3-PG substrate in presence of 250 uM NAD+ and PSAT1 by diaphorase based luminescence assay
50008414	3	ChEMBL_1873877 (CHEMBL4375166)	Binding affinity to N-terminal His6-tagged human PHGDH (4 to 315 residues)by SPR assay
50008414	4	ChEMBL_1873871 (CHEMBL4375160)	Binding affinity to PHGDH (unknown origin)
50008414	5	ChEMBL_1873873 (CHEMBL4375162)	Inhibition of N-terminal His6-tagged human PHGDH expressed in Escherichia coli Rosetta (DE3)pLysS assessed as effect on NADH fluorescence incubated for 20 mins using 3-PG as substrate in presence of NAD+ and PSAT1 by diaphorase and resazurin dye based fluorescence assay
50008414	6	ChEMBL_1873876 (CHEMBL4375165)	Inhibition of full-length PHGDH (unknown origin) expressed in Escherichia coli BL21 (DE3) by PSAT1 catalytic reaction based assay
50008414	7	ChEMBL_1873888 (CHEMBL4375177)	Inhibition of PHGDH in human MDA-MB-468 cells assessed as reduction in [13C]-serine incubated for 72 hrs using [13C]glucose as substrate by LC-MS/MS analysis
50008414	8	ChEMBL_1873887 (CHEMBL4375176)	Inhibition of PHGDH in human MDA-MB-468 cells assessed as reduction in [13C]-serine incubated for 1 hr using [13C]glucose as substrate by LC-MS/MS analysis
50008414	9	ChEMBL_1873875 (CHEMBL4375164)	Binding affinity to human PHGDH ( 1 to 533 residues) expressed in Escherichia coli Rosetta (DE3) by Sypro-orange dye based differential scanning fluorimetry
50008414	10	ChEMBL_1873874 (CHEMBL4375163)	Inhibition of His6-tagged PHGDH (unknown origin) expressed in Escherichia coli BL21 assessed as effect on NADH fluorescence incubated for 60 mins using 3-PG as substrate in presence of 500 uM NAD+ and PSAT1 by diaphorase and resazurin dye based fluorescence assay
50008414	11	ChEMBL_1873872 (CHEMBL4375161)	Inhibition of His6-tagged PHGDH (unknown origin) expressed in Escherichia coli BL21 assessed as effect on NADH fluorescence pre-incubated for 30 mins before 3-PG substrate addition in presence of NAD+ and PSAT1 by diaphorase and resazurin dye based fluorescence assay
50008415	1	ChEMBL_1873903 (CHEMBL4375192)	Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate incubated for 90 mins by microfluidic off-Chip Mobility Shift Assay
50008415	2	ChEMBL_1873904 (CHEMBL4375193)	Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed in baculovirus infected Sf21 cells
50008415	3	ChEMBL_1873906 (CHEMBL4375195)	Inhibition of BTK in human PBMC cells assessed as reduction in anti-IgM-stimulated CD69 expression on B cells preincubated for 60 mins followed by goat F(ab')2 anti-human IgM stimulation and measured after overnight incubation by flow cytometry
50008415	4	ChEMBL_1873927 (CHEMBL4375216)	Inhibition of BTK Cys481S mutant (unknown origin)
50008415	5	ChEMBL_1873910 (CHEMBL4375199)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by HPLC analysis
50008416	1	ChEMBL_1874039 (CHEMBL4375328)	Binding affinity to human partial length PIK3CA Q546K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	2	ChEMBL_1874049 (CHEMBL4375338)	Binding affinity to wild-type human partial length PIK3C2G (M1 to I1446 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	3	ChEMBL_1874058 (CHEMBL4375347)	Binding affinity to wild-type human partial length PLK3 (A42 to L334 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	4	ChEMBL_1874027 (CHEMBL4375316)	Binding affinity to wild-type human full length CDK9 (M1 to F372 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	5	ChEMBL_1874032 (CHEMBL4375321)	Binding affinity to wild-type human full length CDK4/cyclinD1 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	6	ChEMBL_1874036 (CHEMBL4375325)	Binding affinity to wild-type human partial length PIK3CD (R108 to Q1044 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	7	ChEMBL_1874037 (CHEMBL4375326)	Binding affinity to wild-type human partial length PIK3CG (S144 to A1102 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	8	ChEMBL_1874035 (CHEMBL4375324)	Binding affinity to wild-type human full length CDK2 (M1 to L298 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	9	ChEMBL_1874028 (CHEMBL4375317)	Binding affinity to wild-type human full length CDK7 (M1 to L344 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	10	ChEMBL_1874026 (CHEMBL4375315)	Binding affinity to wild-type human partial length CDK8 (M1 to T360 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	11	ChEMBL_1874022 (CHEMBL4375311)	Binding affinity to wild-type human partial length CDK11 (M1 to N360 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	12	ChEMBL_1874021 (CHEMBL4375310)	Binding affinity to wild-type human full-length CDK20 (M1 to G346 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	13	ChEMBL_1874020 (CHEMBL4375309)	Binding affinity to wild-type human full-length CDK6 (M1 to A326 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	14	ChEMBL_1874033 (CHEMBL4375322)	Binding affinity to wild-type human full length CDK3 (M1 to H305 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	15	ChEMBL_1874034 (CHEMBL4375323)	Binding affinity to wild-type human full length CDK4 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	16	ChEMBL_1874038 (CHEMBL4375327)	Binding affinity to wild-type human partial length PIK3CB (P118 to S1070 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	17	ChEMBL_1874041 (CHEMBL4375330)	Binding affinity to human partial length PIK3CA M1043I mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	18	ChEMBL_1874042 (CHEMBL4375331)	Binding affinity to human partial length PIK3CA H1047Y mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	19	ChEMBL_1874044 (CHEMBL4375333)	Binding affinity to human partial length PIK3CA E545K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	20	ChEMBL_1874046 (CHEMBL4375335)	Binding affinity to human partial length PIK3CA E542K mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	21	ChEMBL_1874048 (CHEMBL4375337)	Binding affinity to human partial length PIK3CA C420R mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	22	ChEMBL_1874047 (CHEMBL4375336)	Binding affinity to wild-type human partial length PIK3CA (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	23	ChEMBL_1874053 (CHEMBL4375342)	Binding affinity to wild-type human partial length ERK4 (M1 to L365 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	24	ChEMBL_1874054 (CHEMBL4375343)	Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	25	ChEMBL_1874056 (CHEMBL4375345)	Binding affinity to wild-type human full length ERK1 Q122L mutant (M1 to P379 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	26	ChEMBL_1874057 (CHEMBL4375346)	Binding affinity to wild-type human full length ERK1 (M1 to P379 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	27	ChEMBL_1874060 (CHEMBL4375349)	Binding affinity to wild-type human partial length PLK2 (H58 to F354 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	28	ChEMBL_1874063 (CHEMBL4375352)	Binding affinity to wild-type human partial length AURKB (D25 to A303 residues) expressed in mammalian expression system measured after 1 hr by Kinomescan method
50008416	29	ChEMBL_1874055 (CHEMBL4375344)	Binding affinity to wild-type human full length ERK2 (M1 to S360 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	30	ChEMBL_1874061 (CHEMBL4375350)	Binding affinity to wild-type human full length AURKC (M1 to S275 residues) expressed in bacterial expression system measured after 1 hr by Kinomescan method
50008416	31	ChEMBL_1874012 (CHEMBL4375301)	Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate measured after 45 mins in presence of [gamma-33P]ATP by radiometric assay
50008416	32	ChEMBL_1874031 (CHEMBL4375320)	Binding affinity to wild-type human full length CDK4/cyclinD1 F93L mutant (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	33	ChEMBL_1874030 (CHEMBL4375319)	Binding affinity to wild-type human full length CDK5 (M1 to P292 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	34	ChEMBL_1874024 (CHEMBL4375313)	Binding affinity to wild-type human full-length CDK10 (M1 to P360 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	35	ChEMBL_1874040 (CHEMBL4375329)	Binding affinity to human partial length PIK3CA I800L mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	36	ChEMBL_1874045 (CHEMBL4375334)	Binding affinity to human partial length PIK3CA E545A mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	37	ChEMBL_1874051 (CHEMBL4375340)	Binding affinity to wild-type human partial length ERK8 (M1 to P437 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	38	ChEMBL_1874013 (CHEMBL4375302)	Inhibition of PLK (unknown origin)
50008416	39	ChEMBL_1874029 (CHEMBL4375318)	Binding affinity to wild-type human full length CDK4/cyclinD3 (M1 to E303 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	40	ChEMBL_1874052 (CHEMBL4375341)	Binding affinity to wild-type human partial length ERK5 (M1 to A409 residues) expressed in bacterial expression system measured after 1 hr by kinomescan method
50008416	41	ChEMBL_1874059 (CHEMBL4375348)	Binding affinity to wild-type human partial length PLK1 (A33 to F325 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	42	ChEMBL_1874025 (CHEMBL4375314)	Binding affinity to wild-type human full-length CDK1 (M1 to M297 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	43	ChEMBL_1874050 (CHEMBL4375339)	Binding affinity to wild-type human partial length PIK3C2B (M1 to L1634 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	44	ChEMBL_1874062 (CHEMBL4375351)	Binding affinity to wild-type human partial length AURKA (E122 to K401 residues) expressed in mammalian expression system measured after 1 hr by Kinomescan method
50008416	45	ChEMBL_1874023 (CHEMBL4375312)	Binding affinity to wild-type human partial length CDK12 (P697 to E1077 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008416	46	ChEMBL_1874043 (CHEMBL4375332)	Binding affinity to human partial length PIK3CA H1047L mutant (R108 to N1068 residues) expressed in mammalian expression system measured after 1 hr by kinomescan method
50008418	1	ChEMBL_1874103 (CHEMBL4375392)	Inhibition of integrin alphavbeta1 (unknown origin) expressed in human A549 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amino acids) incubated for 30 mins by fluorescent probe BCECF-AM based fluorescence assay
50008418	2	ChEMBL_1874104 (CHEMBL4375393)	Inhibition of integrin alphavbeta3 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amino acids) incubated for 30 mins by fluorescent probe BCECF-AM based fluorescence assay
50008418	3	ChEMBL_1874097 (CHEMBL4375386)	Inhibition of ligand binding to integrin alphavbeta3 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay
50008418	4	ChEMBL_1874089 (CHEMBL4375378)	Inhibition of integrin alphavbeta6 (unknown origin) by radioligand binding assay
50008418	5	ChEMBL_1874106 (CHEMBL4375395)	Inhibition of integrin alphavbeta8 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amino acids) incubated for 30 mins by fluorescent probe BCECF-AM based fluorescence assay
50008418	6	ChEMBL_1874096 (CHEMBL4375385)	Inhibition of ligand binding to integrin alphavbeta1 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay
50008418	7	ChEMBL_1874093 (CHEMBL4375382)	Inhibition of ligand binding to integrin alphavbeta6 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay
50008418	8	ChEMBL_1874094 (CHEMBL4375383)	Inhibition of ligand binding to integrin alphavbeta8 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay
50008418	9	ChEMBL_1874092 (CHEMBL4375381)	Inhibition of human fibronectin binding to human integrin alphavbeta1 after 2 hrs
50008418	10	ChEMBL_1874091 (CHEMBL4375380)	Inhibition of integrin alphavbeta3 (unknown origin) by radioligand binding assay
50008418	11	ChEMBL_1874090 (CHEMBL4375379)	Inhibition of integrin alphavbeta5 (unknown origin) by radioligand binding assay
50008418	12	ChEMBL_1874098 (CHEMBL4375387)	Antagonist activity at integrin alphavbeta1 (unknown origin) expressed in human A549 cells assessed as reduction in cell adhesion to LAP-bi by fluorescent probe BCECF-AM based fluorescence assay
50008418	13	ChEMBL_1874099 (CHEMBL4375388)	Antagonist activity at integrin alphavbeta3 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to LAP-b by fluorescent probe BCECF-AM based fluorescence assay
50008418	14	ChEMBL_1874102 (CHEMBL4375391)	Antagonist activity at integrin alphavbeta8 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to LAP-b by fluorescent probe BCECF-AM based fluorescence assay
50008418	15	ChEMBL_1874105 (CHEMBL4375394)	Inhibition of integrin alphavbeta5 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to human vitronectin incubated for 30 mins by fluorescent probe BCECF-AM based fluorescence assay
50008418	16	ChEMBL_1874107 (CHEMBL4375396)	Inhibition of integrin alphavbeta6 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to GST-LAP1 (242 to 252 amino acids) incubated for 30 mins by fluorescent probe BCECF-AM based fluorescence assay
50008418	17	ChEMBL_1874121 (CHEMBL4375410)	Inhibition of human ERG expressed in CHO-K1 cells at -80 mV holding potential by IonWorks barracuda automated electrophysiology method
50008418	18	ChEMBL_1874095 (CHEMBL4375384)	Inhibition of ligand binding to integrin alphavbeta5 (unknown origin) expressed in baculovirus expression system after 2 hrs by solid-phase assay
50008418	19	ChEMBL_1874101 (CHEMBL4375390)	Antagonist activity at integrin alphavbeta6 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to LAP-bi by fluorescent probe BCECF-AM based fluorescence assay
50008418	20	ChEMBL_1874100 (CHEMBL4375389)	Antagonist activity at integrin alphavbeta5 (unknown origin) expressed in human K562 cells assessed as reduction in cell adhesion to vitronectin by fluorescent probe BCECF-AM based fluorescence assay
50008418	21	ChEMBL_1874108 (CHEMBL4375397)	Inhibition of integrin alphavbeta1 (unknown origin) by radioligand binding assay
50008419	1	ChEMBL_1874150 (CHEMBL4375439)	Inhibition of mouse slc26a3 expressed in FRT cells co-expressing EYFP-H148Q/I152L/F46L assessed as reduction in protein-mediated chloride/iodide exchange preincubated for 10 mins followed by NaI-substituted PBS addition and measured by YFP-based fluorescence assay
50008419	2	ChEMBL_1874151 (CHEMBL4375440)	Inhibition of mouse slc26a3 expressed in FRT cells co-expressing EYFP-H148Q/I152L/F46L assessed as reduction in protein-mediated chloride/bicarbonate exchange by measuring decrease in cytoplasmic alkalinization by BCECF probe-based fluorescence assay
50008421	1	ChEMBL_1874168 (CHEMBL4375457)	Allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in CHOK1 cells assessed as induction of NT (8 to 13) peptide-mediated beta-arrestin recruitment measured after 90 mins by pathhunter assay
50008421	2	ChEMBL_1874187 (CHEMBL4375476)	Positive allosteric modulation of recombinant human NTR1 expressed in HEK293 cells assessed as increase in [125I]-neurotensin binding measured after 45 mins
50008421	3	ChEMBL_1874208 (CHEMBL4375497)	Displacement of [125I]neurotensin from rat brain NTR1
50008421	4	ChEMBL_1874209 (CHEMBL4375498)	Antagonist activity at NTR1 (unknown origin)
50008421	5	ChEMBL_1874192 (CHEMBL4375481)	Positive allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in CHOK1 cells assessed as effect on NT (8 to 13) peptide-mediated calcium flux by measuring neurotensin EC50 at 0.0088 to 2.15 uM (Rvb = 0.035 nM)
50008422	1	ChEMBL_1874414 (CHEMBL4375703)	Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake measured after 10 mins by UPLC-MS/MS analysis
50008422	2	ChEMBL_1874436 (CHEMBL4375725)	Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake by LC-MS/MS analysis
50008423	1	ChEMBL_1874689 (CHEMBL4375978)	Inhibition of VEGFR2 (unknown origin)
50008423	2	ChEMBL_1874653 (CHEMBL4375942)	Inhibition of AKT phosphorylation in human K562 cells
50008425	1	ChEMBL_1874738 (CHEMBL4376027)	Inhibition of recombinant human N-terminal GST-tagged TGFbeta1 receptor (80 to end residues) expressed in baculovirus infected Sf9 insect cells using casein as substrate measured after 2 hrs by ADP-Glo assay
50008428	1	ChEMBL_1874806 (CHEMBL4376095)	Inhibition of Alexa633-AFFAQLQLDEETGEFL binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) preincubated for 15 mins followed by Alexa633-AFFAQLQLDEETGEFL addition and measured after 30 mins by fluorescence polarization assay
50008428	2	ChEMBL_1874773 (CHEMBL4376062)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50008428	3	ChEMBL_1874771 (CHEMBL4376060)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabilization by sypro orange dye based thermal shift assay
50008428	4	ChEMBL_1874778 (CHEMBL4376067)	Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins by fluorescence polarization assay
50008428	5	ChEMBL_1874781 (CHEMBL4376070)	Inhibition of FAM-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins by fluorescence polarization assay
50008428	6	ChEMBL_1874787 (CHEMBL4376076)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant up to 500 nM by surface plasmon resonance analysis
50008428	7	ChEMBL_1874805 (CHEMBL4376094)	Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells by fluorescence polarization assay
50008428	8	ChEMBL_1874809 (CHEMBL4376098)	Binding affinity to KEAP1 (unknown origin) expressed in baculovirus expression system by surface plasmon resonance analysis
50008428	9	ChEMBL_1874810 (CHEMBL4376099)	Binding affinity to KEAP1 (unknown origin) by surface plasmon resonance analysis
50008428	10	ChEMBL_1874807 (CHEMBL4376096)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) using RA839 as titrant by isothermal titration calorimetry
50008428	11	ChEMBL_1874783 (CHEMBL4376072)	Inhibition of FAM-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 30 to 60 mins in absence of TCEP buffer by fluorescence polarization assay
50008428	12	ChEMBL_1874785 (CHEMBL4376074)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant at 660 nM by surface plasmon resonance analysis
50008428	13	ChEMBL_1874789 (CHEMBL4376078)	Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant up to 1 uM by surface plasmon resonance analysis
50008428	14	ChEMBL_1874808 (CHEMBL4376097)	Inhibition of TAMRA-labeled AFFAQLQLDEETGEFL binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) measured after 1 hr by fluorescence polarization assay
50008429	1	ChEMBL_1874814 (CHEMBL4376103)	Inhibition of recombinant human N-terminal His6-tagged glutaminyl cyclase (Ala33 to Leu361 residues) expressed in baculovirus infected Sf21 insect cells using H-Gln-AMC hydrobromide as substrate measured in presence of pGAPase by fluorometric assay
50008429	2	ChEMBL_1874822 (CHEMBL4376111)	Inhibition of mouse glutaminyl cyclase
50008429	3	ChEMBL_1874820 (CHEMBL4376109)	Inhibition of isoQC (unknown origin)
50008430	1	ChEMBL_1874852 (CHEMBL4376141)	Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 380 residues) as substrate measured after 50 mins in presence of 70 nM [3H]-SAM by scintillation proximity assay
50008430	2	ChEMBL_1874861 (CHEMBL4376150)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human CAL120 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008430	3	ChEMBL_1874854 (CHEMBL4376143)	Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 380 residues) as substrate measured after 120 mins in presence of 20 uM [3H]-SAM by scintillation proximity assay
50008430	4	ChEMBL_1874857 (CHEMBL4376146)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human MCF7 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008430	5	ChEMBL_1874862 (CHEMBL4376151)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human U2OS cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008430	6	ChEMBL_1874860 (CHEMBL4376149)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in HEK293 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008430	7	ChEMBL_1874858 (CHEMBL4376147)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human MDA-MB-231 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008430	8	ChEMBL_1874859 (CHEMBL4376148)	Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human HeLa cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylation at K370 residue measured after 20 hrs by immunoblot analysis
50008432	1	ChEMBL_1874882 (CHEMBL4376171)	Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR assay
50008432	2	ChEMBL_1874890 (CHEMBL4376179)	Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay
50008432	3	ChEMBL_1874883 (CHEMBL4376172)	Binding affinity to recombinant human Frizzled-1 (Gln73 to His253 residues)/human IgG1 chimeric protein expressed in mouse NS0 cells by SPR assay
50008432	4	ChEMBL_1874881 (CHEMBL4376170)	Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells assessed as dissociation rate constant by SPR assay
50008432	5	ChEMBL_1874880 (CHEMBL4376169)	Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells assessed as association rate constant by SPR assay
50008435	1	ChEMBL_1874962 (CHEMBL4376251)	Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes assessed as inhibition constant pre-incubated for 20 mins before PNP-butyrate substrate addition and measured after 30 mins by surrogate substrate assay
50008435	2	ChEMBL_1874961 (CHEMBL4376250)	Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured after 30 mins by surrogate substrate assay
50008437	1	ChEMBL_1874972 (CHEMBL4376261)	Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells assessed as reduction in S-adenosyl-L-homocysteine production preincubated for 15 mins followed by 1.5 uM of tRNALeu(CAG) substrate and SAM addition and measured after 45 mins by MTase-Glo assay
50008437	2	ChEMBL_1874973 (CHEMBL4376262)	Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 Rosetta (DE3) assessed as reduction in S-adenosyl-L-homocysteine production preincubated for 15 mins followed by 4.5 uM of tRNALeu(CAG) substrate and SAM addition and measured after 45 mins by MTase-Glo assay
50008437	3	ChEMBL_1874977 (CHEMBL4376266)	Binding affinity to full length Staphylococcus aureus tRNA (guanine(37)-N1)-methyltransferase expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay
50008437	4	ChEMBL_1874974 (CHEMBL4376263)	Inhibition of Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 Rosetta (DE3) assessed as reduction in S-adenosyl-L-homocysteine production preincubated for 15 mins followed by 15 uM of tRNALeu(CAG) substrate and SAM addition and measured after 45 mins by MTase-Glo assay
50008437	5	ChEMBL_1874976 (CHEMBL4376265)	Binding affinity to full length Mycobacterium tuberculosis tRNA (guanine(37)-N1)-methyltransferase expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay
50008437	6	ChEMBL_1874975 (CHEMBL4376264)	Binding affinity to Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells by surface plasmon resonance assay
50008440	1	ChEMBL_1875038 (CHEMBL4376327)	Agonist activity at human GLP1 receptor
50008440	2	ChEMBL_1875049 (CHEMBL4376338)	Inhibition of HIV-1 reverse transcriptase
50008440	3	ChEMBL_1875041 (CHEMBL4376330)	Inhibition of alpha-glucosidase (unknown origin) using 4-nitrophenyl alpha-D-glucopyranoside as substarte preincubated for 10 mins followed by substrate addition measured after 30 mins
50008440	4	ChEMBL_1875046 (CHEMBL4376335)	Inhibition of human topoisomerase 2 by fluorescence method
50008440	5	ChEMBL_1875048 (CHEMBL4376337)	Inhibition of recombinant human cathepsin V using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate by fluorescence assay
50008440	6	ChEMBL_1875042 (CHEMBL4376331)	Inhibition of alpha-glucosidase (unknown origin)
50008440	7	ChEMBL_1875045 (CHEMBL4376334)	Inhibition of topoisomerase 2 (unknown origin)
50008443	1	ChEMBL_1875075 (CHEMBL4376364)	Reversible competitive inhibition of PI3K p110delta (unknown origin)
50008443	2	ChEMBL_1875083 (CHEMBL4376372)	Competitive inhibition of PI3Kdelta (unknown origin)
50008443	3	ChEMBL_1875080 (CHEMBL4376369)	Inhibition of PI3Kgamma (unknown origin)
50008443	4	ChEMBL_1875078 (CHEMBL4376367)	Inhibition of PI3Kbeta (unknown origin)
50008443	5	ChEMBL_1875077 (CHEMBL4376366)	Inhibition of PI3Kalpha (unknown origin)
50008443	6	ChEMBL_1875076 (CHEMBL4376365)	Reversible competitive inhibition of PI3K p110gamma (unknown origin)
50008443	7	ChEMBL_1875072 (CHEMBL4376361)	Inhibition of mTOR (unknown origin)
50008443	8	ChEMBL_1875071 (CHEMBL4376360)	Inhibition of PI3K p110gamma (unknown origin)
50008443	9	ChEMBL_1875068 (CHEMBL4376357)	Inhibition of PI3K p110alpha (unknown origin)
50008443	10	ChEMBL_1875081 (CHEMBL4376370)	Competitive inhibition of PI3Kalpha (unknown origin)
50008443	11	ChEMBL_1875082 (CHEMBL4376371)	Competitive inhibition of PI3Kbeta (unknown origin)
50008443	12	ChEMBL_1875079 (CHEMBL4376368)	Inhibition of PI3Kdelta (unknown origin)
50008443	13	ChEMBL_1875070 (CHEMBL4376359)	Inhibition of PI3K p110delta (unknown origin)
50008443	14	ChEMBL_1875074 (CHEMBL4376363)	Reversible competitive inhibition of PI3K p110alpha (unknown origin)
50008443	15	ChEMBL_1875084 (CHEMBL4376373)	Competitive inhibition of PI3Kgamma (unknown origin)
50008443	16	ChEMBL_1875069 (CHEMBL4376358)	Inhibition of PI3K p110beta (unknown origin)
50008443	17	ChEMBL_1875073 (CHEMBL4376362)	Reversible competitive inhibition of PI3K p110beta (unknown origin)
50008444	1	ChEMBL_1875090 (CHEMBL4376379)	Transactivation of Gal4-fused human PPARgamma transfected in COS7 cells co-transfected with pGAL5-TK-pGL3 and pRennilla-CMV incubated for 39 hrs by dual luciferase reporter assay
50008446	1	ChEMBL_1875130 (CHEMBL4376419)	Inhibition of human HDAC10 using fluorescent-labelled p53 residues 379 to 382 (RHKKAc) peptide as substrate by fluorescence assay
50008446	2	ChEMBL_1875125 (CHEMBL4376414)	Inhibition of recombinant human C-terminal His-fusion tagged HDAC5 (657 to 1123 residues) expressed in baculovirus infected insect cells using Boc-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis
50008446	3	ChEMBL_1875119 (CHEMBL4376408)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate measured after 30 mins by fluorescence assay
50008446	4	ChEMBL_1875120 (CHEMBL4376409)	Inhibition of FITC-geldanamycin binding to recombinant human full-length C-terminal His-tagged HSP90alpha expressed in Escherichia coli after 3 hrs by fluorescence polarization assay
50008446	5	ChEMBL_1875112 (CHEMBL4376401)	Inhibition of HDAC1 (unknown origin)
50008446	6	ChEMBL_1875108 (CHEMBL4376397)	Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methoxy-coumarin using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50008446	7	ChEMBL_1875110 (CHEMBL4376399)	Inhibition of HDAC in human K562 nuclear extract
50008446	8	ChEMBL_1875114 (CHEMBL4376403)	Inhibition of HDAC6 (unknown origin)
50008446	9	ChEMBL_1875121 (CHEMBL4376410)	Inhibition of recombinant full length human FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetric assay
50008446	10	ChEMBL_1875122 (CHEMBL4376411)	Inhibition of recombinant human GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry assay
50008446	11	ChEMBL_1875124 (CHEMBL4376413)	Inhibition of recombinant N-terminal GST-tagged and C-terminal His-tagged human HDAC4 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis
50008446	12	ChEMBL_1875126 (CHEMBL4376415)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorimetry analysis
50008446	13	ChEMBL_1875127 (CHEMBL4376416)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus infected insect cells using Boc-K(Ac)-AMC as substrate after 90 mins by fluorimetry analysis
50008446	14	ChEMBL_1875128 (CHEMBL4376417)	Inhibition of recombinant C-terminal His-fusion tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50008446	15	ChEMBL_1875129 (CHEMBL4376418)	Inhibition of human HDAC9 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence assay
50008446	16	ChEMBL_1875131 (CHEMBL4376420)	Inhibition of human recombinant N-terminal Streptavidin2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)-AMC as substrate after 60 mins by fluorescence assay
50008446	17	ChEMBL_1875132 (CHEMBL4376421)	Inhibition of human recombinant N-terminal His-tagged SIRT1 (1 to 747 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate after 30 mins in presence of NAD+ by fluorimetry analysis
50008446	18	ChEMBL_1875123 (CHEMBL4376412)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis
50008448	1	ChEMBL_1875184 (CHEMBL4376473)	Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK293 cell membrane after 90 mins
50008448	2	ChEMBL_1875185 (CHEMBL4376474)	Displacement of [125I]Iodoproxyfan from human histamine H3 receptor stably expressed in CHOK1 cells after 60 mins
50008448	3	ChEMBL_1875190 (CHEMBL4376479)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method
50008448	4	ChEMBL_1875192 (CHEMBL4376481)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method
50008448	5	ChEMBL_1875186 (CHEMBL4376475)	Displacement of [125I]Iodoproxyfan from human histamine H3 receptor stably expressed in HEK293 cells after 60 mins
50008448	6	ChEMBL_1875189 (CHEMBL4376478)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method
50008448	7	ChEMBL_1875193 (CHEMBL4376482)	Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50008448	8	ChEMBL_1875194 (CHEMBL4376483)	Non-competitive inhibition of equine serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50008448	9	ChEMBL_1875195 (CHEMBL4376484)	Non-competitive inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50008451	1	ChEMBL_1875223 (CHEMBL4376512)	Inhibition of purified recombinant VEGFR2 kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	2	ChEMBL_1875222 (CHEMBL4376511)	Inhibition of purified recombinant MET kinase domain (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	3	ChEMBL_1875228 (CHEMBL4376517)	Inhibition of recombinant human GST-tagged cMER (578 to 872 residues) expressed in baculovirus infected Sf21 insect cells using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	4	ChEMBL_1875226 (CHEMBL4376515)	Inhibition of recombinant full length human N-terminal GST-tagged AXL (473 to end residues) expressed in baculovirus infected Sf21 insect cells using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	5	ChEMBL_1875229 (CHEMBL4376518)	Inhibition of recombinant human GST-tagged RON expressed in baculovirus system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	6	ChEMBL_1875230 (CHEMBL4376519)	Inhibition of recombinant human His-tagged TRKA catalytic domain (441 to 796 residues) expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	7	ChEMBL_1875233 (CHEMBL4376522)	Inhibition of recombinant human GST-tagged RSE catalytic domain (451 to 890 residues) expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	8	ChEMBL_1875227 (CHEMBL4376516)	Inhibition of recombinant human GST-tagged FLT4 catalytic domain (800 to 1297 residues) expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	9	ChEMBL_1875232 (CHEMBL4376521)	Inhibition of recombinant human GST-tagged TEK (817 to 1101 residues) expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008451	10	ChEMBL_1875231 (CHEMBL4376520)	Inhibition of recombinant human His-tagged TRKB catalytic domain (526 to 838 residues) expressed in baculovirus expression system using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins in presence of ATP by HTRF assay
50008454	1	ChEMBL_1875317 (CHEMBL4376606)	Inhibition of recombinant human CA2 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008454	2	ChEMBL_1875316 (CHEMBL4376605)	Inhibition of recombinant human CA1 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008454	3	ChEMBL_1875319 (CHEMBL4376608)	Inhibition of recombinant human CA9 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008454	4	ChEMBL_1875318 (CHEMBL4376607)	Inhibition of recombinant human CA7 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50008455	1	ChEMBL_1875329 (CHEMBL4376618)	Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method
50008456	1	ChEMBL_1875439 (CHEMBL4376728)	Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by electrophoretic mobility shift assay
50008456	2	ChEMBL_1875440 (CHEMBL4376729)	Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay
50008456	3	ChEMBL_1875441 (CHEMBL4376730)	Inhibition of recombinant full length human HDAC11 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 17 hrs by electrophoretic mobility shift assay
50008456	4	ChEMBL_1875442 (CHEMBL4376731)	Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as substrate incubated for 5 hrs by electrophoretic mobility shift assay
50008456	5	ChEMBL_1875438 (CHEMBL4376727)	Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by electrophoretic mobility shift assay
50008456	6	ChEMBL_1875448 (CHEMBL4376737)	Inhibition of recombinant full length human HDAC1 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay
50008456	7	ChEMBL_1875450 (CHEMBL4376739)	Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 1.5 hrs by electrophoretic mobility shift assay
50008456	8	ChEMBL_1875452 (CHEMBL4376741)	Inhibition of recombinant full length human HDAC7 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay
50008456	9	ChEMBL_1875449 (CHEMBL4376738)	Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay
50008456	10	ChEMBL_1875451 (CHEMBL4376740)	Inhibition of recombinant full length human HDAC5 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay
50008456	11	ChEMBL_1875453 (CHEMBL4376742)	Inhibition of recombinant human HDAC9 (604-1066 residues) expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by electrophoretic mobility shift assay
50008456	12	ChEMBL_1875454 (CHEMBL4376743)	Inhibition of recombinant full length human HDAC10 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by electrophoretic mobility shift assay
50008456	13	ChEMBL_1875479 (CHEMBL4376768)	Inhibition of HDAC6 in human HeLa cells incubated for 15 mins by ELISA
50008458	1	ChEMBL_1875688 (CHEMBL4377082)	Inhibition of YFP-tagged human TRPC6 expressed in thapsigargin treated HEK293 cells assessed as reduction in amix-induced calcium level by fluo-4 dye based fluorescence assay
50008458	2	ChEMBL_1875720 (CHEMBL4377114)	Inhibition of mouse TRPC4 expressed in HEK293 cells coexpressing M5 receptor assessed as reduction in TRPC4-mediated calcium influx by fluorescence method
50008458	3	ChEMBL_1875698 (CHEMBL4377092)	Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluorescence assay
50008458	4	ChEMBL_1875706 (CHEMBL4377100)	Inhibition of YFP-tagged TRPC3 (unknown origin) expressed in HEK293 cells assessed as reduction carbhocol-induced receptor operated Calcium influx after 5 mins by fura-2-AM dye based assay
50008458	5	ChEMBL_1875710 (CHEMBL4377104)	Inhibition of human TRPC6 expressed in HEK293 cells assessed as reduction in OAG-induced calcium influx preincubated for 2 mins followed by OAG stimulation by fluo-4/AM dye based FLIPR assay
50008458	6	ChEMBL_1875673 (CHEMBL4377067)	Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in sphingosine-1-phosphate-induced current at -100 mV by patch clamp assay
50008458	7	ChEMBL_1875684 (CHEMBL4377078)	Inhibition of TRPC5 (unknown origin) expressed in HEK293/TREx cells assessed as reduction in intracellular calcium level measured for 3 mins by fluo4 dye-based fluorescence assay
50008458	8	ChEMBL_1875661 (CHEMBL4377055)	Inhibition of mouse TRPC4 beta expressed in HEK293 cells co-expressing mu-opioid receptor assessed as reduction in DAMGO-induced membrane potential by FMP-2 dye based assay
50008458	9	ChEMBL_1875663 (CHEMBL4377057)	Inhibition of mouse TRPC6 expressed in HEK293 cells co-expressing M5 receptor assessed as reduction in carbachol-induced membrane potential by FMP-2 dye based assay
50008458	10	ChEMBL_1875664 (CHEMBL4377058)	Inhibition of human TRPC3 expressed in HEK293 cells assessed as reduction in carbachol-induced membrane potential by FMP-2 dye based assay
50008458	11	ChEMBL_1875656 (CHEMBL4377050)	Inhibition of mouse TRPC4 beta expressed in HEK293 cells co-expressing mu-opioid receptor assessed as reduction in DAMGO-induced intracellular calcium level in presence of mu-opioid receptor agonist DAMGO by Fluo-4AM dye based fluorescence assay
50008458	12	ChEMBL_1875686 (CHEMBL4377080)	Inhibition of YFP-tagged mouse TRPC4 beta expressed in thapsigargin treated HEK293 cells co-expressing M3 receptor assessed as reduction in carbachol-induced calcium level by fluo-4 dye based fluorescence assay
50008458	13	ChEMBL_1875687 (CHEMBL4377081)	Inhibition of YFP-tagged human TRPC3 expressed in thapsigargin treated HEK293 cells assessed as reduction in amix-induced calcium level by fluo-4 dye based fluorescence assay
50008458	14	ChEMBL_1875689 (CHEMBL4377083)	Inhibition of YFP-tagged mouse TRPC7 expressed in thapsigargin treated HEK293 cells assessed as reduction in amix-induced calcium level by fluo-4 dye based fluorescence assay
50008458	15	ChEMBL_1875692 (CHEMBL4377086)	Inhibition of YFP-tagged rat TRPV3 expressed in HEK293 cells assessed as reduction in calcium level by fluo-4 dye based fluorescence assay
50008458	16	ChEMBL_1875693 (CHEMBL4377087)	Inhibition of YFP-tagged mouse TRPV4 expressed in HEK293 cells assessed as reduction in calcium level by fluo-4 dye based fluorescence assay
50008458	17	ChEMBL_1875699 (CHEMBL4377093)	Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fura-2 dye based fluorescence assay
50008458	18	ChEMBL_1875704 (CHEMBL4377098)	Inhibition of TRPC3 (unknown origin)
50008458	19	ChEMBL_1875707 (CHEMBL4377101)	Inhibition of ORAI/STIM1 in thapsigargin treated rat RBL2H3 cells assessed as reduction in store-operated calcium entry after 5 mins by fura-2-AM dye based assay
50008458	20	ChEMBL_1875715 (CHEMBL4377109)	Inhibition of human TRPC7 expressed in HEK293 cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR assay
50008458	21	ChEMBL_1875716 (CHEMBL4377110)	Inhibition of human TRPC6 expressed in HEK293 cells assessed as reduction in TRPC6-induced current by Whole-cell patch-clamp
50008458	22	ChEMBL_1875717 (CHEMBL4377111)	Inhibition of mouse TRPC4 by FLIPR assay
50008458	23	ChEMBL_1875719 (CHEMBL4377113)	Agonist activity at mouse TRPC4 expressed in HEK293 cells coexpressing M5 receptor assessed as induction of TRPC4-mediated calcium influx by fluorescence method
50008458	24	ChEMBL_1875675 (CHEMBL4377069)	Inhibition of human TRPC5 expressed in human T-REx-293 cells assessed as reduction in calcium influx by Fluo-4AM dye based assay
50008458	25	ChEMBL_1875660 (CHEMBL4377054)	Inhibition of human recombinant acetylcholinesterase expressed in HEK-293 cells using AMTch as substrate after 30 mins by spectrophotometric method
50008458	26	ChEMBL_1875662 (CHEMBL4377056)	Inhibition of mouse TRPC5 expressed in HEK293 cells co-expressing mu-opioid receptor assessed as reduction in DAMGO-induced membrane potential by FMP-2 dye based assay
50008458	27	ChEMBL_1875669 (CHEMBL4377063)	Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50008458	28	ChEMBL_1875671 (CHEMBL4377065)	Inhibition of human TRPC5/human TRPC1 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50008458	29	ChEMBL_1875674 (CHEMBL4377068)	Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in sphingosine-1-phosphate-induced current at +100 mV by patch clamp assay
50008458	30	ChEMBL_1875657 (CHEMBL4377051)	Inhibition of mouse TRPC4 beta expressed in HEK293 cells co-expressing mu-opioid receptor assessed as reduction in DAMGO-induced current by QPatch clamp assay
50008458	31	ChEMBL_1875677 (CHEMBL4377071)	Inhibition of human TRPC5 expressed in human T-REx-293 cells assessed as reduction in lanthanum-activated TRPC5-mediated currents by whole-cell patch clamp method
50008458	32	ChEMBL_1875658 (CHEMBL4377052)	Inhibition of HA-tagged mouse TRPC6 expressed in HEK293 cells assessed as reduction in acetylcholine-induced membrane potential by FLIPR membrane potential dye based assay
50008458	33	ChEMBL_1875672 (CHEMBL4377066)	Inhibition of human TRPC4/human TRPC1 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50008458	34	ChEMBL_1875676 (CHEMBL4377070)	Inhibition of human TRPC4 expressed in human T-REx-293 cells coexpressing M1 receptor assessed as reduction in calcium influx by Fluo-4AM dye based assay
50008458	35	ChEMBL_1875670 (CHEMBL4377064)	Inhibition of human TRPC4 expressed in HEK293 cells assessed as reduction in englerin A-induced calcium entry incubated for 30 mins by Fluo-4AM dye based fluorescence assay
50008458	36	ChEMBL_1875655 (CHEMBL4377049)	Antagonist activity at TRPC4/TRPC1 in human A498 cells assessed as reduction in englerin A-induced calcium entry preincubated for 30 mins followed by englerin A addition by fluorescence method
50008458	37	ChEMBL_1875691 (CHEMBL4377085)	Inhibition of YFP-tagged rat TRPV2 expressed in HEK293 cells assessed as reduction in calcium level by fluo-4 dye based fluorescence assay
50008458	38	ChEMBL_1875709 (CHEMBL4377103)	Inhibition of human TRPC6 expressed in thapsigargin pretreated HEK293 cells assessed as reduction in GPCR-induced calcium entry by fluo-4/AM dye based assay
50008458	39	ChEMBL_1875685 (CHEMBL4377079)	Inhibition of mouse TRPC5 expressed in thapsigargin treated HEK293/TREx cells assessed as reduction in intracellular calcium level in presence of GPCR agonist by fluorescence method
50008458	40	ChEMBL_1875690 (CHEMBL4377084)	Inhibition of CFP-tagged rat TRPV1 expressed in HEK293 cells assessed as reduction in calcium level by fluo-4 dye based fluorescence assay
50008458	41	ChEMBL_1875703 (CHEMBL4377097)	Inhibition of TRPC5 (unknown origin)
50008458	42	ChEMBL_1875713 (CHEMBL4377107)	Inhibition of human TRPC6 expressed in HEK293 cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR assay
50008458	43	ChEMBL_1875718 (CHEMBL4377112)	Inhibition of mouse TRPC5 by FLIPR assay
50008458	44	ChEMBL_1875714 (CHEMBL4377108)	Inhibition of human TRPC3 expressed in CHO cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR assay
50008459	1	ChEMBL_1875757 (CHEMBL4377151)	Inhibition of human HGPRT assessed as inhibitor constant for enzyme-inhibitor complex formation using [5'-14C]IMP as substrate by scintillation counting method
50008459	2	ChEMBL_1875739 (CHEMBL4377133)	Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as reduction in formation of inosine using adenosine as substrate
50008459	3	ChEMBL_1875752 (CHEMBL4377146)	Inhibition of human His-tagged PNP assessed as equilibrium dissociation constant by measuring reduction in uric acid formation by spectrophotometric method
50008459	4	ChEMBL_1875744 (CHEMBL4377138)	Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation
50008459	5	ChEMBL_1875747 (CHEMBL4377141)	Inhibition of human PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation
50008459	6	ChEMBL_1875733 (CHEMBL4377127)	Inhibition of human HGPRT using Prib-PP as substrate by Hanes-plot based method
50008459	7	ChEMBL_1875738 (CHEMBL4377132)	Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as substrate
50008459	8	ChEMBL_1875740 (CHEMBL4377134)	Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as substrate
50008459	9	ChEMBL_1875742 (CHEMBL4377136)	Inhibition of Plasmodium falciparum ADA assessed as reduction in formation of ammonia using adenosine as substrate incubated for 15 mins by spectrophotometric analysis
50008459	10	ChEMBL_1875745 (CHEMBL4377139)	Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation
50008459	11	ChEMBL_1875746 (CHEMBL4377140)	Inhibition of human PNP assessed as inhibitor constant for enzyme-inhibitor complex formation
50008459	12	ChEMBL_1875748 (CHEMBL4377142)	Inhibition of Plasmodium falciparum 3D7 PNP expressed in Escherichia coli assessed as reduction in uric acid formation by spectrophotometric method
50008459	13	ChEMBL_1875728 (CHEMBL4377122)	Inhibition of human GMP synthase
50008459	14	ChEMBL_1875751 (CHEMBL4377145)	Inhibition of human His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation by measuring reduction in uric acid formation by spectrophotometric method
50008459	15	ChEMBL_1875753 (CHEMBL4377147)	Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli assessed as inhibitor constant for enzyme-inhibitor complex formation by measuring reduction in uric acid formation by spectrophotometric method
50008459	16	ChEMBL_1875754 (CHEMBL4377148)	Binding affinity to Plasmodium falciparum His6-tagged PNP assessed as reduction in uric acid formation using inosine as substrate
50008459	17	ChEMBL_1875758 (CHEMBL4377152)	Inhibition of human HGPRT assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation using [5'-14C]IMP as substrate by scintillation counting method
50008459	18	ChEMBL_1875761 (CHEMBL4377155)	Inhibition of human N-terminal His6-tagged HGPRT using Prib-PP as substrate by Hanes-plot based method
50008459	19	ChEMBL_1875737 (CHEMBL4377131)	Inhibition of human erythrocytes ADA assessed as reduction in formation of inosine using adenosine as substrate
50008459	20	ChEMBL_1875749 (CHEMBL4377143)	Inhibition of human PNP expressed in Escherichia coli assessed as reduction in uric acid formation by spectrophotometric method
50008461	1	ChEMBL_1875851 (CHEMBL4377245)	Inhibition of human HDAC6 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50008461	2	ChEMBL_1875849 (CHEMBL4377243)	Inhibition of HDAC1 (unknown origin) using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50008461	3	ChEMBL_1875852 (CHEMBL4377246)	Inhibition of human HDAC8 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50008461	4	ChEMBL_1875850 (CHEMBL4377244)	Inhibition of human HDAC3 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50008462	1	ChEMBL_1875889 (CHEMBL4377283)	Inhibition of SPIN1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50008462	2	ChEMBL_1875896 (CHEMBL4377290)	Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 90 mins by AlphaLISA assay
50008462	3	ChEMBL_1875890 (CHEMBL4377284)	Inhibition of L3MBTL3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50008462	4	ChEMBL_1875893 (CHEMBL4377287)	Inhibition of CBX4 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50008462	5	ChEMBL_1875894 (CHEMBL4377288)	Inhibition of G9a (unknown origin)
50008462	6	ChEMBL_1875898 (CHEMBL4377292)	Inhibition of recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50008462	7	ChEMBL_1875900 (CHEMBL4377294)	Inhibition of recombinant human N-terminal His6-tagged SPIN4 (36 to 249 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50008462	8	ChEMBL_1875901 (CHEMBL4377295)	Inhibition of C-terminal Halo Tag-histone H3.3/N-terminal Nano Luciferase-fused full length SPIN1 (unknown origin) transfected in human U2OS cells assessed as reduction in SPIN1 and histone H3 interaction incubated for 24 hrs by NanoBRET assay
50008462	9	ChEMBL_1875891 (CHEMBL4377285)	Inhibition of H3(1-12)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by FTSA assay
50008462	10	ChEMBL_1875895 (CHEMBL4377289)	Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by fluorescence polarization displacement assay
50008462	11	ChEMBL_1875892 (CHEMBL4377286)	Inhibition of CBX7 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50008462	12	ChEMBL_1875888 (CHEMBL4377282)	Inhibition of recombinant human N-terminal His6-tagged SPIN2B (45 to 258 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50008462	13	ChEMBL_1875899 (CHEMBL4377293)	Inhibition of recombinant human N-terminal His6-tagged SPIN3 (27 to 258 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50008463	1	ChEMBL_1875978 (CHEMBL4377372)	Inhibition of recombinant Staphylococcus aureus ATCC 6538p sortase A incubated for 1 hr in presence of (Dabcyl-QALPETGEE-Edans substrate by fluorescence spectrophotometry
50008463	2	ChEMBL_1875982 (CHEMBL4377376)	Inhibition of cathepsin B (unknown origin) assessed as reduction in enzyme activity
50008465	1	ChEMBL_1875987 (CHEMBL4377381)	Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation with IFN-alpha for 15 mins by fluorescence analysis
50008465	2	ChEMBL_1875988 (CHEMBL4377382)	Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation with IFN-alpha for 15 mins by fluorescence analysis
50008465	3	ChEMBL_1875986 (CHEMBL4377380)	Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay
50008465	4	ChEMBL_1876001 (CHEMBL4377395)	Inhibition of JAK1/JAK2 in in human whole blood assessed as decrease in IL6-induced STAT3 phosphorylation in CD3+ T cells
50008465	5	ChEMBL_1876019 (CHEMBL4377413)	Inhibition of CYP2D6 (unknown origin)
50008465	6	ChEMBL_1876078 (CHEMBL4377472)	Allosteric inhibition of fluorescein labeled probe binding to His-tagged recombinant human TYK2 pseudokinase JH2 domain (575-869 residues) incubated for 1 hr by HTRF assay
50008465	7	ChEMBL_1875996 (CHEMBL4377390)	Inhibition of JAK1/JAK3 in human PBMC assessed as decrease in IL2-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by stimulation with IL2 for 15 mins by flow cytometry
50008465	8	ChEMBL_1876061 (CHEMBL4377455)	Inhibition of JAK1 (unknown origin) in presence of Km ATP
50008465	9	ChEMBL_1876067 (CHEMBL4377461)	Inhibition of JAK2 (unknown origin)
50008465	10	ChEMBL_1875991 (CHEMBL4377385)	Inhibition of human ERG by in vitro patch clamp method
50008465	11	ChEMBL_1875994 (CHEMBL4377388)	Inhibition of TYK2 in human PBMC assessed as decrease in IL23-induced STAT3 phosphorylation in CD161+/CD3+ T cells preincubated for 1 hr followed by stimulation with IL-23 for 15 mins by flow cytometry
50008465	12	ChEMBL_1875995 (CHEMBL4377389)	Inhibition of JAK2 in human TF1 cells assessed as decrease in EPO-induced STAT5A phosphorylation incubated for 10 mins by ELISA
50008465	13	ChEMBL_1875997 (CHEMBL4377391)	Inhibition of JAK1 in human PBMC assessed as decrease in IL6-induced STAT5 phosphorylation in CD3+ T cells
50008465	14	ChEMBL_1875998 (CHEMBL4377392)	Inhibition of JAK1 in human PBMC assessed as decrease in IL13-induced STAT6 phosphorylation in mononuclear cells
50008465	15	ChEMBL_1875999 (CHEMBL4377393)	Inhibition of JAK2 in human whole blood assessed as decrease in TPO-induced STAT5 phosphorylation in platelets
50008465	16	ChEMBL_1876009 (CHEMBL4377403)	Inhibition of BMPR2 (unknown origin)
50008465	17	ChEMBL_1876016 (CHEMBL4377410)	Inhibition of CYP1A2 (unknown origin)
50008465	18	ChEMBL_1876018 (CHEMBL4377412)	Inhibition of CYP2C19 (unknown origin)
50008465	19	ChEMBL_1876020 (CHEMBL4377414)	Inhibition of CYP3A4 (unknown origin)
50008465	20	ChEMBL_1876062 (CHEMBL4377456)	Inhibition of JAK2 (unknown origin) in presence of Km ATP
50008465	21	ChEMBL_1876063 (CHEMBL4377457)	Inhibition of JAK3 (unknown origin) in presence of Km ATP
50008465	22	ChEMBL_1875983 (CHEMBL4377377)	Inhibition of GST-fused recombinant human JAK3 catalytic domain (811-1103 residues) expressed in Sf9 cells in presence of 0.1 mM ATP
50008465	23	ChEMBL_1876066 (CHEMBL4377460)	Inhibition of JAK1 (unknown origin)
50008465	24	ChEMBL_1876068 (CHEMBL4377462)	Inhibition of JAK3 (unknown origin)
50008465	25	ChEMBL_1876070 (CHEMBL4377464)	Inhibition of recombinant human JAK1 kinase domain using 5FAM-KKSRGDYMTMQID as substrate incubated for 3 hrs by caliper method
50008465	26	ChEMBL_1876073 (CHEMBL4377467)	Inhibition of recombinant human TYK2 JH1 kinase domain using 5FAM-KKSRGDYMTMQID as substrate incubated for 135 mins by caliper method
50008465	27	ChEMBL_1876074 (CHEMBL4377468)	Inhibition of fluorescein labeled probe binding to human recombinant JAK1 JH1 domain incubated for 1 hr by HTRF assay
50008465	28	ChEMBL_1876077 (CHEMBL4377471)	Inhibition of fluorescein labeled probe binding to human recombinant TYK2 JH1 domain incubated for 1 hr by HTRF assay
50008465	29	ChEMBL_1876079 (CHEMBL4377473)	Inhibition of fluorescein labeled probe binding to His-tagged human TYK2 pseudokinase domain (575-869 residues) by Morrison titration based HTRF assay
50008465	30	ChEMBL_1876080 (CHEMBL4377474)	Inhibition of fluorescein labeled probe binding to human recombinant JAK1 JH2 incubated for 1 hr by HTRF assay
50008465	31	ChEMBL_1876082 (CHEMBL4377476)	Inhibition of JAK2 in GM-CSF-stimulated human TF-1 cells
50008465	32	ChEMBL_1876076 (CHEMBL4377470)	Inhibition of fluorescein labeled probe binding to human recombinant JAK3 JH1 domain incubated for 1 hr by HTRF assay
50008465	33	ChEMBL_1876000 (CHEMBL4377394)	Inhibition of JAK1/JAK3 in in human whole blood assessed as decrease in IL2-induced STAT5 phosphorylation in CD3+ T cells
50008465	34	ChEMBL_1876021 (CHEMBL4377415)	Induction of CYP3A4 (unknown origin) by PXR-transactivation assay
50008465	35	ChEMBL_1876064 (CHEMBL4377458)	Inhibition of TYK2 JH1 domain (unknown origin) in presence of Km ATP
50008465	36	ChEMBL_1876065 (CHEMBL4377459)	Inhibition of N-terminal His-tagged and C-terminal FLAG-tagged human TYK2 JH1 domain (880 to 1185 residues) in presence of 0.1 mM ATP
50008465	37	ChEMBL_1876072 (CHEMBL4377466)	Inhibition of recombinant human JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate incubated for 75 mins by caliper method
50008465	38	ChEMBL_1876075 (CHEMBL4377469)	Inhibition of fluorescein labeled probe binding to human recombinant JAK2 JH1 domain incubated for 1 hr by HTRF assay
50008465	39	ChEMBL_1875993 (CHEMBL4377387)	Inhibition of TYK2 in human PBMC assessed as decrease in IFNalpha-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by stimulation with IFN-alpha for 15 mins by flow cytometry
50008465	40	ChEMBL_1876071 (CHEMBL4377465)	Inhibition of recombinant human JAK2 kinase domain using FITC-KGGEEEEYFELVKK as substrate incubated for 60 mins by caliper method
50008465	41	ChEMBL_1875984 (CHEMBL4377378)	Inhibition of recombinant C-terminal His6-tagged human JAK2 kinase domain (808 to end residues) expressed in baculovirus-infected Sf21 cells in presence of 0.1 mM ATP
50008465	42	ChEMBL_1875985 (CHEMBL4377379)	Inhibition of GST-fused recombinant human JAK1 catalytic domain (845-1142 residues) expressed in Sf9 cells in presence of 0.1 mM ATP
50008465	43	ChEMBL_1876017 (CHEMBL4377411)	Inhibition of CYP2C9 (unknown origin)
50008465	44	ChEMBL_1876069 (CHEMBL4377463)	Inhibition of TYK2 JH1 domain (unknown origin)
50008466	1	ChEMBL_1876100 (CHEMBL4377494)	Inhibition of recombinant full-length human CDK9/cyclinT1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC peptide as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50008466	2	ChEMBL_1876098 (CHEMBL4377492)	Inhibition of recombinant full-length human CDK6/cyclinD3 using histone H1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50008466	3	ChEMBL_1876096 (CHEMBL4377490)	Inhibition of recombinant full-length human CDK4/cyclinD3 using Rb fragment as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50008467	1	ChEMBL_1876660 (CHEMBL4378054)	Inhibition of human ERG by patch clamp method
50008467	2	ChEMBL_1876696 (CHEMBL4378090)	Inhibition of CYP3A4 (unknown origin)
50008467	3	ChEMBL_1876713 (CHEMBL4378107)	Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli using L-dihydroorotate as substrate
50008467	4	ChEMBL_1876769 (CHEMBL4378163)	Inhibition of human ERG
50008467	5	ChEMBL_1876771 (CHEMBL4378165)	Inhibition of Cav1.2 (unknown origin)
50008467	6	ChEMBL_1876714 (CHEMBL4378108)	Inhibition of human DHODH expressed in Escherichia coli using L-dihydroorotate as substrate
50008467	7	ChEMBL_1876770 (CHEMBL4378164)	Inhibition of Nav1.5 (unknown origin)
50008468	1	ChEMBL_1876789 (CHEMBL4378183)	Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by LC-MS/MS analysis
50008468	2	ChEMBL_1876790 (CHEMBL4378184)	Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulation and measured after 20 mins by LC-MS/MS analysis
50008468	3	ChEMBL_1876813 (CHEMBL4378207)	Inhibition of recombinant human CYP2D6 using coumarin based substrate by fluorescence assay
50008468	4	ChEMBL_1876809 (CHEMBL4378203)	Inhibition of recombinant human CYP1A2 using coumarin based substrate by fluorescence assay
50008468	5	ChEMBL_1876810 (CHEMBL4378204)	Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using coumarin based substrate by fluorescence assay
50008468	6	ChEMBL_1876811 (CHEMBL4378205)	Inhibition of recombinant human CYP2C19 using coumarin based substrate by fluorescence assay
50008468	7	ChEMBL_1876812 (CHEMBL4378206)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using coumarin based substrate by fluorescence assay
50008468	8	ChEMBL_1876828 (CHEMBL4378222)	Inhibition of recombinant human N-terminal His6-tagged LTC4S expressed in in Pichia pastoris X33 assessed as inhibition of EXC4 formation using EXA4 as substrate preincubated for 10 mins followed by substrate addition and measured after 1 min by EIA
50008470	1	ChEMBL_1876849 (CHEMBL4378243)	Inhibition of ALK L1196M (unknown origin)
50008470	2	ChEMBL_1876861 (CHEMBL4378255)	Inhibition of EML4/ALK phosphorylation (unknown origin)
50008470	3	ChEMBL_1876842 (CHEMBL4378236)	Inhibition of EML4/ALK in human NCI-H2228 cells
50008470	4	ChEMBL_1876845 (CHEMBL4378239)	Inhibition of KDR (unknown origin)
50008470	5	ChEMBL_1876847 (CHEMBL4378241)	Inhibition of ALK L1196M mutant in mouse NIH-3T3 cells
50008470	6	ChEMBL_1876865 (CHEMBL4378259)	Inhibition of ALK C1156Y mutant (unknown origin) by TR-FRET assay
50008470	7	ChEMBL_1876838 (CHEMBL4378232)	Inhibition of c-Met (unknown origin)
50008470	8	ChEMBL_1876839 (CHEMBL4378233)	Inhibition of ALK (unknown origin)
50008470	9	ChEMBL_1876843 (CHEMBL4378237)	Inhibition of EML4/ALK in human NCI-H3122 cells
50008470	10	ChEMBL_1876846 (CHEMBL4378240)	Inhibition of ALK in mouse NIH-3T3 cells
50008470	11	ChEMBL_1876850 (CHEMBL4378244)	Inhibition of ALK G1202R (unknown origin)
50008470	12	ChEMBL_1876852 (CHEMBL4378246)	Inhibition of INSR (unknown origin)
50008470	13	ChEMBL_1876837 (CHEMBL4378231)	Inhibition of ALK (unknown origin) by kinome scan-based assay
50008470	14	ChEMBL_1876836 (CHEMBL4378230)	Inhibition of c-MET (unknown origin) by kinome scan-based assay
50008470	15	ChEMBL_1876859 (CHEMBL4378253)	Inhibition of SRC (unknown origin)
50008470	16	ChEMBL_1876867 (CHEMBL4378261)	Inhibition of ALK (unknown origin) by TR-FRET assay
50008470	17	ChEMBL_1876866 (CHEMBL4378260)	Inhibition of ALK L1196M mutant (unknown origin) by TR-FRET assay
50008470	18	ChEMBL_1876863 (CHEMBL4378257)	Inhibition of ALK F1174L mutant (unknown origin) by TR-FRET assay
50008470	19	ChEMBL_1876840 (CHEMBL4378234)	Inhibition of ALK in human KARPAS299 cells assessed as reduction in NPM-ALK phosphorylation after 1 hrs by ELISA
50008470	20	ChEMBL_1876841 (CHEMBL4378235)	Inhibition of ALK in human SUDHL1 cells assessed as reduction in NPM-ALK phosphorylation after 1 hrs by ELISA
50008470	21	ChEMBL_1876862 (CHEMBL4378256)	Inhibition of SRC phosphorylation (unknown origin)
50008470	22	ChEMBL_1876864 (CHEMBL4378258)	Inhibition of ALK R1275Q mutant (unknown origin) by TR-FRET assay
50008470	23	ChEMBL_1876851 (CHEMBL4378245)	Inhibition of ROS1 (unknown origin)
50008470	24	ChEMBL_1876868 (CHEMBL4378262)	Inhibition of IGF1R (unknown origin) by mobility shift assay
50008471	1	ChEMBL_1876893 (CHEMBL4378287)	Inhibition of human ROCK incubated for 20 mins followed by 33P ATP after 120 mins
50008472	1	ChEMBL_1877069 (CHEMBL4378463)	Agonist activity at human GLP-1 receptor expressed in CHO-K1 cells assessed as cAMP induction by FRET assay
50008472	2	ChEMBL_1877070 (CHEMBL4378464)	Agonist activity at human GLP-2 receptor expressed in CHO-K1 cells assessed as cAMP induction by FRET assay
50008474	1	ChEMBL_1877082 (CHEMBL4378476)	Inhibition of wild-type BCL-2 (unknown origin) expressed in Escherichia coli BL21 cells using biotinylated BIMBH3 or BAXBH3 peptide by surface plasmon resonance assay
50008474	2	ChEMBL_1877073 (CHEMBL4378467)	Inhibition of TAMRA-labeled BIM BH3 peptide binding to human Mcl1 (171 to 327 residues) incubated for 120 mins by fluorescence polarization
50008474	3	ChEMBL_1877084 (CHEMBL4378478)	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50008474	4	ChEMBL_1877077 (CHEMBL4378471)	Inhibition of Mcl1 (unknown origin) by fluorescence polarization assay
50008474	5	ChEMBL_1877083 (CHEMBL4378477)	Inhibition of His-tagged Bcl-2 (unknown origin) incubated for 30 mins by TR-FRET assay
50008474	6	ChEMBL_1877080 (CHEMBL4378474)	Inhibition of Mcl1 (unknown origin) by surface plasmon resonance analysis
50008474	7	ChEMBL_1877076 (CHEMBL4378470)	Displacement of fluorescein labelled Puma-BH3 peptide from C-terminal MBP-fused human Mcl-1 (173 to 321 residues) expressed in Escherichia coli BL21(DE3)pLysS by fluorescence polarization assay
50008474	8	ChEMBL_1877075 (CHEMBL4378469)	Inhibition of FITC-labelled BAK peptide binding to human MBP-fused Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL incubated for 0.5 hrs by TR-FRET assay
50008474	9	ChEMBL_1877074 (CHEMBL4378468)	Inhibition of N-terminal GST-tagged-Mcl1 (E171 to G327) (unknown origin) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide C as substrate incubated for 120 to 180 mins by TR-FRET assay
50008474	10	ChEMBL_1877072 (CHEMBL4378466)	Displacement of fluorescein labelled Puma-BH3 peptide from His-tagged-TEV fused human Mcl-1 incubated for 2 hrs by fluorescence polarization assay
50008474	11	ChEMBL_1877085 (CHEMBL4378479)	Inhibition of Bcl-xL (unknown origin) by surface plasmon resonance assay
50008474	12	ChEMBL_1877087 (CHEMBL4378481)	Displacement of fluorescein labelled Puma-BH3 peptide from human BCl2 expressed in Escherichia coli BL21 (DE3) pLysS cells incubated for 2 hrs by fluorescence polarization assay
50008474	13	ChEMBL_1877086 (CHEMBL4378480)	Inhibition of human BCl2 expressed in Escherichia coli BL21 (DE3) pLysS cells by surface plasmon resonance assay
50008476	1	ChEMBL_1877088 (CHEMBL4378482)	Inhibition of recombinant human GST-tagged EGFR T790M/L858R mutant expressed in baculovirus expression system using Tyr 04 as substrate incubated for 1 hr by Z'-LYTE assay
50008476	2	ChEMBL_1877089 (CHEMBL4378483)	Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system using Tyr 04 as substrate incubated for 1 hr by Z'-LYTE assay
50008476	3	ChEMBL_1877090 (CHEMBL4378484)	Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system using Tyr 04 as substrate incubated for 1 hr by Z'-LYTE assay
50008476	4	ChEMBL_1877184 (CHEMBL4378578)	Inhibition of EGFR in human NCI-H292 cells assessed as reduction in EGFR Y1068 phosphorylation at incubated for 4 hrs by Western blot analysis
50008476	5	ChEMBL_1877183 (CHEMBL4378577)	Inhibition of EGFR T790M/L858R mutant in human NCI-H1975 cells assessed as reduction in EGFR Y1068 phosphorylation incubated for 4 hrs by Western blot analysis
50008477	1	ChEMBL_1877273 (CHEMBL4378667)	Activation of human utrophin-1 in mouse mdx myoblasts by H2K-mdx utrnA-luc assay
50008477	2	ChEMBL_1877274 (CHEMBL4378668)	Activation of human utrophin-1 in iDMD cells by HTRF assay
50008477	3	ChEMBL_1877306 (CHEMBL4378700)	Inhibition of monoamino oxidase B (unknown origin)
50008477	4	ChEMBL_1877247 (CHEMBL4378641)	Inhibition of human CYP3A4
50008477	5	ChEMBL_1877256 (CHEMBL4378650)	Inhibition of CYP1A2 in human liver microsomes
50008477	6	ChEMBL_1877298 (CHEMBL4378692)	Inhibition of MATE1 (unknown origin)
50008478	1	ChEMBL_1877320 (CHEMBL4378714)	Inhibition of recombinant human IDO using L-Trp as substrate incubated for 60 mins
50008478	2	ChEMBL_1877336 (CHEMBL4378730)	Inhibition of recombinant human His-tagged RIPK2 (8 to 317 residues) incubated for 1 hr by ADP-Glo assay
50008478	3	ChEMBL_1877366 (CHEMBL4378760)	Inhibition of RIPK3 in human HT-29 cells assessed as reduction in TSZ-induced necroptosis by Cell Titer Glo assay
50008478	4	ChEMBL_1877340 (CHEMBL4378734)	Inhibition of RIPK1 in human HT-29 cells assessed as reduction in TNFalpha-induced necroptosis incubated for 14 to 24 hrs in presence of Smac mimetic and z-VAD-FMK by cell titer glo-based luminescence assay
50008478	5	ChEMBL_1877348 (CHEMBL4378742)	Binding affinity to human RIPK1 by kinome scan based method
50008478	6	ChEMBL_1877351 (CHEMBL4378745)	Inhibition of human RIPK1 by ADP-Glo assay
50008478	7	ChEMBL_1877318 (CHEMBL4378712)	Inhibition of RIPK1 (1 to 312 residues) (unknown origin) preincubated for 15 mins followed by addition of [gamma32P] ATP and measured after 30 mins by SDS-PAGE based autoradiography
50008478	8	ChEMBL_1877319 (CHEMBL4378713)	Inhibition of IDO (unknown origin)
50008478	9	ChEMBL_1877321 (CHEMBL4378715)	Inhibition of human RIPK1
50008478	10	ChEMBL_1877330 (CHEMBL4378724)	Inhibition of recombinant RIPK1 (unknown origin) using MBP as substrate preincubated for 15 mins followed by addition of MBP and measured after 120 min ADP-Glo kinase assay
50008478	11	ChEMBL_1877335 (CHEMBL4378729)	Inhibition of recombinant GST-tagged RIPK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 4 hrs by ADP-Glo assay
50008478	12	ChEMBL_1877337 (CHEMBL4378731)	Inhibition of recombinant GST-tagged RIPK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 4 hrs by ADP-Glo assay
50008478	13	ChEMBL_1877338 (CHEMBL4378732)	Inhibition of Abl (unknown origin) incubated for 1 hr by ADP-Glo assay
50008478	14	ChEMBL_1877341 (CHEMBL4378735)	Inhibition of recombinant human GST-tagged RIPK1 (1 to 479 residues) incubated for 4 hrs by ADP-Glo assay
50008478	15	ChEMBL_1877347 (CHEMBL4378741)	Inhibition of human full length GST-tagged RIPK1 expressed in baculovirus in Sf9 insect cells incubated for 10 mins in presence of [gamma32-ATP] by SDS-PAGE based topcount scintillation counting method
50008478	16	ChEMBL_1877350 (CHEMBL4378744)	Inhibition of GSK657 binding to human RIPK1 (1 to 328) by fluorescence Polarization assay
50008478	17	ChEMBL_1877352 (CHEMBL4378746)	Inhibition of RIPK1 (unknown origin)
50008478	18	ChEMBL_1877353 (CHEMBL4378747)	Inhibition of human full length N-terminal GST-tagged RIPK3 expressed in baculovirus infected sf9 insect cells assessed as reduction in MBP phosphorylation using MBP as substrate by kinase-Glo luminescence assay
50008478	19	ChEMBL_1877354 (CHEMBL4378748)	Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assay
50008478	20	ChEMBL_1877356 (CHEMBL4378750)	Inhibition of human RIPK5 using MBP as substrate by [gamma33-ATP] based radiometric assay
50008478	21	ChEMBL_1877360 (CHEMBL4378754)	Binding affinity to human MLKL by kinome scan based method
50008478	22	ChEMBL_1877361 (CHEMBL4378755)	Binding affinity to human RIPK3 by kinome scan based method
50008478	23	ChEMBL_1877365 (CHEMBL4378759)	Inhibition of human RIPK1 using MBP as substrate by [gamma33-ATP] based radiometric assay
50008478	24	ChEMBL_1877322 (CHEMBL4378716)	Inhibition of mouse RIPK1
50008478	25	ChEMBL_1877331 (CHEMBL4378725)	Inhibition of recombinant RIPK3 (unknown origin) using MBP as substrate preincubated for 15 mins followed by addition of MBP and measured after 120 min ADP-Glo kinase assay
50008478	26	ChEMBL_1877323 (CHEMBL4378717)	Inhibition of rat RIPK1
50008478	27	ChEMBL_1877346 (CHEMBL4378740)	Inhibition of RIPK1 in mouse RGC-5 cells incubated for 30 mins in presence of [gamma32-ATP] by SDS-PAGE based radiometric assay
50008478	28	ChEMBL_1877355 (CHEMBL4378749)	Inhibition of human RIPK2 using MBP as substrate by [gamma33-ATP] based radiometric assay
50008478	29	ChEMBL_1877359 (CHEMBL4378753)	Binding affinity to MLKL (unknown origin)
50008479	1	ChEMBL_1877606 (CHEMBL4379000)	Binding affinity to N-terminal His6 tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells incubated for 30 mins by isothermal Titration Calorimetry
50008479	2	ChEMBL_1877375 (CHEMBL4378769)	Binding affinity to N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by SPR analysis
50008479	3	ChEMBL_1877378 (CHEMBL4378772)	Inhibition of N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed as reduction in autopalmitoylation preincubated for 2 hrs followed by palmitoyl alkyne-coenzyme A addition and measured after 30 mins by immunoblot analysis
50008479	4	ChEMBL_1877371 (CHEMBL4378765)	Inhibition of N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed reduction in autopalmitoylation preincubated for 2 hrs followed by palmitoyl alkyne coenzyme A addition and measured after 30 mins by immunoblot analysis
50008481	1	ChEMBL_1877619 (CHEMBL4379013)	Displacement of TMR-labelled PDI from human GST tagged MDM2 (1 to 139 residues) expressed in Escherichia coli BL21 (DE3) cells preincuabted for 1 hr with TMR-labelled PDI followed by compound addition and measured after 1 hr by fluorescence polarization assay
50008481	2	ChEMBL_1877615 (CHEMBL4379009)	Binding affinity to human GST tagged MDM2 (1 to 139 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by DTT reagent based method
50008481	3	ChEMBL_1877628 (CHEMBL4379022)	Binding affinity to mouse GST tagged beta catenin (133 to 665 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr
50008481	4	ChEMBL_1877629 (CHEMBL4379023)	Displacement of FAM-labelled GGYPECILDCHLQRVIL-NH2 from mouse GST tagged beta catenin (133 to 665 residues) expressed in Escherichia coli BL21 (DE3) cells preincuabted for 1 hr with FAM-labelled GGYPECILDCHLQRVIL-NH2 followed by compound addition and measured after 1 hr by fluorescence polarization assay
50008482	1	ChEMBL_1877773 (CHEMBL4379167)	Inhibition of recombinant full length human CDC7/CyclinB1 using Histone H1 as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	2	ChEMBL_1877782 (CHEMBL4379176)	Inhibition of recombinant full length human CDK7/cyclinH/MAT1 using peptide substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	3	ChEMBL_1877793 (CHEMBL4379187)	Inhibition of recombinant full length human CHK1 using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	4	ChEMBL_1877681 (CHEMBL4379075)	Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and 10 uM ATP by radiometric scintillation counting analysis
50008482	5	ChEMBL_1877682 (CHEMBL4379076)	Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and 10 uM ATP by radiometric scintillation counting analysis
50008482	6	ChEMBL_1877890 (CHEMBL4379284)	Inhibition of recombinant full length human Pim1 using KKRNRTLTV as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	7	ChEMBL_1877743 (CHEMBL4379137)	Inhibition of human recombinant ALK4 (150 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	8	ChEMBL_1877753 (CHEMBL4379147)	Inhibition of human recombinant BMPR2 (172 to 734 residues) using myelin basic protein as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	9	ChEMBL_1877763 (CHEMBL4379157)	Inhibition of recombinant full length human CaMK1beta using KKLRRTLSFAEP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	10	ChEMBL_1877841 (CHEMBL4379235)	Inhibition of recombinant human PKCbeta1 (2 to end residues) using histone H1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	11	ChEMBL_1877832 (CHEMBL4379226)	Inhibition of recombinant human PKCzeta (2 to end residues) using ERMRPRKRQGSVRR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	12	ChEMBL_1878014 (CHEMBL4379408)	Inhibition of recombinant full-length human PRKG2 using KKLRRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	13	ChEMBL_1878051 (CHEMBL4379445)	Inhibition of recombinant human SRPK2 (46 to end residues) using RSRSRSRSRSRSRSR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	14	ChEMBL_1878081 (CHEMBL4379475)	Inhibition of recombinant full-length human TSSK4 using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	15	ChEMBL_1878023 (CHEMBL4379417)	Inhibition of recombinant human Ret V804M mutant (658 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	16	ChEMBL_1878032 (CHEMBL4379426)	Inhibition of recombinant full length human Rsk4 using LRRASLG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	17	ChEMBL_1878040 (CHEMBL4379434)	Inhibition of recombinant human SGK2 S416D mutant (54 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	18	ChEMBL_1878061 (CHEMBL4379455)	Inhibition of recombinant human TAO1 (1 to 327 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	19	ChEMBL_1878091 (CHEMBL4379485)	Inhibition of recombinant human VRK2 (1 to 336 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	20	ChEMBL_1878100 (CHEMBL4379494)	Inhibition of recombinant human ZIPK (1 to 290 residues) using KKLNRTLSFAEPG substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	21	ChEMBL_1877811 (CHEMBL4379205)	Inhibition of recombinant human C-Kit D816H mutant (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	22	ChEMBL_1877820 (CHEMBL4379214)	Inhibition of recombinant human DCAMKL3 (345 to end residues) using KKLNRTLSFAEPG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	23	ChEMBL_1877829 (CHEMBL4379223)	Inhibition of recombinant full length human DYRK3 using RRRFRPASPLRGPP as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	24	ChEMBL_1877943 (CHEMBL4379337)	Inhibition of recombinant full length human Fyn using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	25	ChEMBL_1877954 (CHEMBL4379348)	Inhibition of human recombinant Haspin (471 to end residues) using RARTLSFAEPG as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	26	ChEMBL_1877963 (CHEMBL4379357)	Inhibition of human recombinant ICK (1 to 312 residues) using RRRFRPASPLRGP as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	27	ChEMBL_1878003 (CHEMBL4379397)	Inhibition of recombinant full length human MARK4 using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	28	ChEMBL_1877879 (CHEMBL4379273)	Inhibition of recombinant human MET A1209G/V1290L/Y1248D triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	29	ChEMBL_1877905 (CHEMBL4379299)	Inhibition of recombinant full-length human PAK3 using RRRLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	30	ChEMBL_1877895 (CHEMBL4379289)	Inhibition of recombinant human full length PDHK4 using KKKYHGHSMSDPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	31	ChEMBL_1877803 (CHEMBL4379197)	Inhibition of recombinant full length human CK2alpha2 using RRRDDDSDDD as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	32	ChEMBL_1877915 (CHEMBL4379309)	Inhibition of recombinant human EphA2 (596 to 900 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	33	ChEMBL_1877924 (CHEMBL4379318)	Inhibition of recombinant human EphB4 (561 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	34	ChEMBL_1877934 (CHEMBL4379328)	Inhibition of recombinant human FGFR3 (447 to 761 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	35	ChEMBL_1877973 (CHEMBL4379367)	Inhibition of human recombinant IRAK1 (194 to end residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	36	ChEMBL_1877983 (CHEMBL4379377)	Inhibition of recombinant full length human LCK using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	37	ChEMBL_1877867 (CHEMBL4379261)	Inhibition of recombinant human MRCKalpha (1 to 473 residues) using KKRNRTLTV as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	38	ChEMBL_1877877 (CHEMBL4379271)	Inhibition of recombinant full length human mTOR/FKBP12 measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	39	ChEMBL_1877855 (CHEMBL4379249)	Inhibition of recombinant human NEK7 (2 to end residues) using FLAKSFGSPNRAYKK as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	40	ChEMBL_1877732 (CHEMBL4379126)	Inhibition of human recombinant ABL1 (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	41	ChEMBL_1877734 (CHEMBL4379128)	Inhibition of human recombinant ABL1 M351T mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by scintillation counting based radiometry assay
50008482	42	ChEMBL_1877736 (CHEMBL4379130)	Inhibition of human recombinant ABL1 T315I mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	43	ChEMBL_1877738 (CHEMBL4379132)	Inhibition of human recombinant ACK1 (1 to 389 residues) using EFPIYDFLPAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	44	ChEMBL_1877739 (CHEMBL4379133)	Inhibition of human recombinant ACTR2 (162 to end residues) using casein as substrate incubated for 120 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	45	ChEMBL_1877741 (CHEMBL4379135)	Inhibition of human recombinant ALK1 (142 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	46	ChEMBL_1877742 (CHEMBL4379136)	Inhibition of human recombinant ALK2 (147 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	47	ChEMBL_1877747 (CHEMBL4379141)	Inhibition of human full length AMPKalpha2 recombinant using AMARAASAAALAR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	48	ChEMBL_1877748 (CHEMBL4379142)	Inhibition of human recombinant A-Raf (273 to end residues) using myelin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	49	ChEMBL_1877749 (CHEMBL4379143)	Inhibition of human recombinant ARK5 (2 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	50	ChEMBL_1877751 (CHEMBL4379145)	Inhibition of human recombinant AURORA-C (35 to end residues) using AKRRRLSSLRA as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	51	ChEMBL_1877754 (CHEMBL4379148)	Inhibition of recombinant full length human BMX using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	52	ChEMBL_1877756 (CHEMBL4379150)	Inhibition of recombinant human BRSK1 ( 2 to end residues) using KKKVSRSGLYRSP substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	53	ChEMBL_1877757 (CHEMBL4379151)	Inhibition of recombinant human BRSK2 (2 to end residues) using KKLNRTLSFAEPG substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	54	ChEMBL_1877758 (CHEMBL4379152)	Inhibition of recombinant full length human BTK using KVEKIGEGTYGVV substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	55	ChEMBL_1877762 (CHEMBL4379156)	Inhibition of recombinant human CaMK1alpha (2 to end residues) using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	56	ChEMBL_1877764 (CHEMBL4379158)	Inhibition of recombinant full length human CaMK1gamma using KKLRRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	57	ChEMBL_1877765 (CHEMBL4379159)	Inhibition of recombinant full length human CaMK2alpha using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	58	ChEMBL_1877767 (CHEMBL4379161)	Inhibition of recombinant human CaMK2gamma (1 to 330 residues) using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	59	ChEMBL_1877769 (CHEMBL4379163)	Inhibition of recombinant full length human CaMK2delta using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	60	ChEMBL_1877771 (CHEMBL4379165)	Inhibition of recombinant full length human CaMKK1 using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	61	ChEMBL_1877774 (CHEMBL4379168)	Inhibition of recombinant full length human CDK1/CyclinB using Histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	62	ChEMBL_1877776 (CHEMBL4379170)	Inhibition of recombinant full length human CDK2/CyclinE using Histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	63	ChEMBL_1877778 (CHEMBL4379172)	Inhibition of recombinant full length human CDK4/CyclinD3 using Rb fragment as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	64	ChEMBL_1877779 (CHEMBL4379173)	Inhibition of recombinant full length human CDK5/p25 using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	65	ChEMBL_1877781 (CHEMBL4379175)	Inhibition of recombinant full length human CDK6/cyclinD3 using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	66	ChEMBL_1877784 (CHEMBL4379178)	Inhibition of recombinant full length human CDK12/cyclinK using RSRSRSRSRSRSR as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	67	ChEMBL_1877785 (CHEMBL4379179)	Inhibition of recombinant full length human CDK13/cyclinK using RSRSRSRSRSRSR as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	68	ChEMBL_1877788 (CHEMBL4379182)	Inhibition of recombinant human CDKL1 (1 to 303 residues) using RRRFRPASPLRGP as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	69	ChEMBL_1877789 (CHEMBL4379183)	Inhibition of recombinant full length human CDKL2 in presence of 10 uM ATP by radiometric scintillation counting analysis
50008482	70	ChEMBL_1877792 (CHEMBL4379186)	Inhibition of recombinant human CHAK1 (1180 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	71	ChEMBL_1877794 (CHEMBL4379188)	Inhibition of recombinant human CHK2 (5 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	72	ChEMBL_1877795 (CHEMBL4379189)	Inhibition of recombinant human CHK2 I157T mutant (5 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	73	ChEMBL_1877797 (CHEMBL4379191)	Inhibition of recombinant human CK1gamma1(25 to 355 residues) using KRRRALS(p)VAS as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	74	ChEMBL_1877799 (CHEMBL4379193)	Inhibition of recombinant human CK1gamma3 K91E/R174G/E302D triple mutant (1 to 330 residues) using KRRRALS(p)VAS as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	75	ChEMBL_1877804 (CHEMBL4379198)	Inhibition of recombinant full length human CLIK1 at 10 uM using RSRSRSRSRSRS as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	76	ChEMBL_1877805 (CHEMBL4379199)	Inhibition of recombinant human CLK1 (130 to end residues) using ERMRPRKRQGSVR as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	77	ChEMBL_1877806 (CHEMBL4379200)	Inhibition of recombinant human CLK2 (138 to end residues) using YRRAAVPPSPSLSR as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	78	ChEMBL_1877809 (CHEMBL4379203)	Inhibition of recombinant human C-Kit (544 to end residues) using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	79	ChEMBL_1877810 (CHEMBL4379204)	Inhibition of recombinant human C-Kit D816V mutant (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	80	ChEMBL_1877813 (CHEMBL4379207)	Inhibition of recombinant human C-Kit V654A mutant (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	81	ChEMBL_1877814 (CHEMBL4379208)	Inhibition of recombinant full length human CSK using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	82	ChEMBL_1877815 (CHEMBL4379209)	Inhibition of recombinant human C-Raf Y340D/Y341D double mutant (306 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	83	ChEMBL_1877817 (CHEMBL4379211)	Inhibition of recombinant human DAPK1 (1 to 296 residues) using KKLNRTLSFAEPG as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	84	ChEMBL_1877818 (CHEMBL4379212)	Inhibition of recombinant full length human DAPK2 using Calmodulin as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	85	ChEMBL_1877823 (CHEMBL4379217)	Inhibition of recombinant human DMPK (1 to 549 residues) using KKSRGDYMTMQIG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	86	ChEMBL_1877824 (CHEMBL4379218)	Inhibition of recombinant full length human DRAK1 using KKLNRTLSFAEPG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	87	ChEMBL_1877826 (CHEMBL4379220)	Inhibition of recombinant full length human DYRK1A using RRRFRPASPLRGPP as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	88	ChEMBL_1877827 (CHEMBL4379221)	Inhibition of recombinant full length human DYRK1B using RRRFRPASPLRGPP as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	89	ChEMBL_1877828 (CHEMBL4379222)	Inhibition of recombinant full length human DYRK2 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	90	ChEMBL_1877909 (CHEMBL4379303)	Inhibition of recombinant human EGFR (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	91	ChEMBL_1877911 (CHEMBL4379305)	Inhibition of recombinant human EGFR L861Q mutant (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	92	ChEMBL_1877913 (CHEMBL4379307)	Inhibition of recombinant human EGFR T790M/L858R double mutant (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	93	ChEMBL_1877914 (CHEMBL4379308)	Inhibition of recombinant human EphA1 (568 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	94	ChEMBL_1877916 (CHEMBL4379310)	Inhibition of recombinant human EphA3 (578 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33ATP] by radiometric scintillation counting analysis
50008482	95	ChEMBL_1877918 (CHEMBL4379312)	Inhibition of recombinant human EphA5 (655 to 956 residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33ATP] by radiometric scintillation counting analysis
50008482	96	ChEMBL_1877919 (CHEMBL4379313)	Inhibition of recombinant human EphA7 (613 to 909 residues) using KTFCGTPEYLAPE as substrate measured after 40 mins in presence of [gamma33ATP] by radiometric scintillation counting analysis
50008482	97	ChEMBL_1877923 (CHEMBL4379317)	Inhibition of recombinant human EphB3 (599 to 920 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	98	ChEMBL_1877925 (CHEMBL4379319)	Inhibition of recombinant human ERBB2 G778D (676 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	99	ChEMBL_1877927 (CHEMBL4379321)	Inhibition of recombinant human FAK (411 to 686 residues) using EEEEYEEEEEEYY as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	100	ChEMBL_1877928 (CHEMBL4379322)	Inhibition of recombinant human FER (541 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	101	ChEMBL_1877931 (CHEMBL4379325)	Inhibition of recombinant human FGFR1 V561M mutant (456 to 765 residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	102	ChEMBL_1877932 (CHEMBL4379326)	Inhibition of recombinant human FGFR2 (456 to 770 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	103	ChEMBL_1877933 (CHEMBL4379327)	Inhibition of recombinant human FGFR2 N549H mutant (456 to 765 residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	104	ChEMBL_1877937 (CHEMBL4379331)	Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	105	ChEMBL_1877939 (CHEMBL4379333)	Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	106	ChEMBL_1877942 (CHEMBL4379336)	Inhibition of recombinant human FMS Y969C mutant (538 to end residues) using EEEEYEEEEEEYY as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	107	ChEMBL_1877944 (CHEMBL4379338)	Inhibition of recombinant human GCK (1 to 473 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	108	ChEMBL_1877947 (CHEMBL4379341)	Inhibition of recombinant full length human GRK2 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	109	ChEMBL_1877949 (CHEMBL4379343)	Inhibition of recombinant full length human GRK5 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	110	ChEMBL_1877950 (CHEMBL4379344)	Inhibition of recombinant full length human GRK6 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	111	ChEMBL_1877952 (CHEMBL4379346)	Inhibition of human GSK-3alpha S449A mutant (2 to end residues) using YRRAAVPPSPSLSR as substrate after 40 mins by [gamma-33ATP] radiometric scintillation counting analysis
50008482	112	ChEMBL_1877955 (CHEMBL4379349)	Inhibition of human HCK recombinant (230 to 497 residues) using KVEKIGEGTYGVV as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	113	ChEMBL_1877957 (CHEMBL4379351)	Inhibition of human recombinant HIPK1 (158 to 555 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	114	ChEMBL_1877958 (CHEMBL4379352)	Inhibition of human recombinant HIPK2 I471N mutant (165 to 564 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	115	ChEMBL_1877959 (CHEMBL4379353)	Inhibition of human recombinant HIPK3 (161 to 562 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	116	ChEMBL_1877964 (CHEMBL4379358)	Inhibition of human recombinant IGF1R (959 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	117	ChEMBL_1877965 (CHEMBL4379359)	Inhibition of human recombinant activated IGF1R (959 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	118	ChEMBL_1877967 (CHEMBL4379361)	Inhibition of recombinant full length human IKKbeta using peptide substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	119	ChEMBL_1877969 (CHEMBL4379363)	Inhibition of human recombinant IR (1005 to 1310 residues) using KKSRGDYMTMQIG as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	120	ChEMBL_1877970 (CHEMBL4379364)	Inhibition of human recombinant activated IR (1005 to 1310 residues) using KKSRGDYMTMQIG as substrate after 40 mins by [gamma-33ATP]by radiometric scintillation counting analysis
50008482	121	ChEMBL_1877972 (CHEMBL4379366)	Inhibition of human recombinant IRR (943 to 1266 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	122	ChEMBL_1877974 (CHEMBL2189040)	Inhibition of recombinant full length human IRAK4 A81V using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	123	ChEMBL_1877977 (CHEMBL4379371)	Inhibition of human recombinant JAK2 (808 to end residues) using KTFCGTPEYLAPE as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	124	ChEMBL_1877979 (CHEMBL4379373)	Inhibition of recombinant full length human JNK1alpha1 using ATF2 as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	125	ChEMBL_1877982 (CHEMBL4379376)	Inhibition of human recombinant KDR (790 to end residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	126	ChEMBL_1877985 (CHEMBL4379379)	Inhibition of recombinant human LIMK1 (285 to 638 residues) using cofilin as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	127	ChEMBL_1877986 (CHEMBL4379380)	Inhibition of recombinant full length human LKB1 using LSNLYHQGKFLQT as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	128	ChEMBL_1877988 (CHEMBL4379382)	Inhibition of recombinant full length human Lyn using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	129	ChEMBL_1877990 (CHEMBL4379384)	Inhibition of recombinant human LTK (450 to end residues) using GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	130	ChEMBL_1877994 (CHEMBL4379388)	Inhibition of recombinant human MAP4K3 (1 to 291 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	131	ChEMBL_1877995 (CHEMBL4379389)	Inhibition of recombinant human MAP4K4 (1 to 328 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	132	ChEMBL_1877996 (CHEMBL4379390)	Inhibition of recombinant full length human MAP4K5 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	133	ChEMBL_1877998 (CHEMBL4379392)	Inhibition of recombinant human MAPKAPK3 (2 to end residues) using KKLNRTLSVA as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	134	ChEMBL_1878000 (CHEMBL4379394)	Inhibition of recombinant full length human MEK2 using MBP as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	135	ChEMBL_1878004 (CHEMBL4379398)	Inhibition of recombinant full length human MEKK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	136	ChEMBL_1878005 (CHEMBL4379399)	Inhibition of recombinant full length human MEKK3 using MBP as substrate incubated for 120 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	137	ChEMBL_1878006 (CHEMBL4379400)	Inhibition of recombinant human MELK (1 to 340 residues) using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	138	ChEMBL_1877885 (CHEMBL4379279)	Inhibition of recombinant human MET A1209G/V1290L/D1246H triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	139	ChEMBL_1877886 (CHEMBL4379280)	Inhibition of recombinant human MET A1209G/V1290L/D1246N triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	140	ChEMBL_1877878 (CHEMBL4379272)	Inhibition of recombinant human MET A1209G/V1290L/Y1248C triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	141	ChEMBL_1877881 (CHEMBL4379275)	Inhibition of recombinant human MINK (1 to 310 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	142	ChEMBL_1877882 (CHEMBL4379276)	Inhibition of recombinant human MKK6 (4 to end residues) using SAPK2 as substrate incubated for 40 mins by radiometric scintillation counting analysis
50008482	143	ChEMBL_1877863 (CHEMBL4379257)	Inhibition of recombinant human MLK1 (134 to 414 residues) using casein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	144	ChEMBL_1877864 (CHEMBL4379258)	Inhibition of recombinant human MLK2 (1 to 499 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	145	ChEMBL_1877865 (CHEMBL4379259)	Inhibition of recombinant full length human MNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	146	ChEMBL_1877869 (CHEMBL4379263)	Inhibition of recombinant human MSK1 (2 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	147	ChEMBL_1877870 (CHEMBL4379264)	Inhibition of recombinant human MSK2 (2 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	148	ChEMBL_1877872 (CHEMBL4379266)	Inhibition of recombinant full-length human MST1 using KKSRGDYMTMQIG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	149	ChEMBL_1877875 (CHEMBL4379269)	Inhibition of recombinant human MST4 (4 to 304 residues) using RLGRDKYKTLRQI as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	150	ChEMBL_1877876 (CHEMBL4379270)	Inhibition of recombinant full length human mTOR measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	151	ChEMBL_1877847 (CHEMBL4379241)	Inhibition of recombinant full length human MYLK2 using KKLNRTLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	152	ChEMBL_1877848 (CHEMBL4379242)	Inhibition of recombinant human MYO3B (1 to 326 residues) using RLGRDKYKTLRQI as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	153	ChEMBL_1877851 (CHEMBL4379245)	Inhibition of recombinant full-length human NEK2 using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	154	ChEMBL_1877852 (CHEMBL4379246)	Inhibition of recombinant full-length human NEK4 P225A mutant using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	155	ChEMBL_1877853 (CHEMBL4379247)	Inhibition of recombinant full-length human NEK3 using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	156	ChEMBL_1877858 (CHEMBL4379252)	Inhibition of recombinant full length human NEK11 using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	157	ChEMBL_1877859 (CHEMBL4379253)	Inhibition of recombinant human NLK (121 to end residues) using protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	158	ChEMBL_1877908 (CHEMBL4379302)	Inhibition of recombinant human PAK1 (150 to end residues) using RRRLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	159	ChEMBL_1877903 (CHEMBL4379297)	Inhibition of recombinant human PAK6 (382 to end residues) using RRRLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	160	ChEMBL_1877902 (CHEMBL4379296)	Inhibition of recombinant full-length human PAR1Balpha using KKKVSRSGLYRSP as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	161	ChEMBL_1877900 (CHEMBL4379294)	Inhibition of human PEK (536 to end residues) using RSRSRSRSRSRSRSR as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	162	ChEMBL_1877897 (CHEMBL4379291)	Inhibition of human PDGFRalpha V561D mutant (550 to end residues) using GGMEDIYFEFMGG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	163	ChEMBL_1877896 (CHEMBL4379290)	Inhibition of human PDGFRbeta (557 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	164	ChEMBL_1877892 (CHEMBL4379286)	Inhibition of recombinant full-length human PhKgamma1 using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	165	ChEMBL_1877891 (CHEMBL4379285)	Inhibition of recombinant human Pim2 (2 to end residues) using RSRHSSYPAGT as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	166	ChEMBL_1877888 (CHEMBL4379282)	Inhibition of recombinant full length human PKAcbeta using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	167	ChEMBL_1877844 (CHEMBL4379238)	Inhibition of recombinant human PKBbeta S474D mutant (120 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	168	ChEMBL_1877842 (CHEMBL4379236)	Inhibition of recombinant human full length PKCalpha using histone as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	169	ChEMBL_1877839 (CHEMBL4379233)	Inhibition of recombinant full-length human PKCgamma using histone H1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	170	ChEMBL_1877837 (CHEMBL4379231)	Inhibition of recombinant human PKCepsilon (2 to end residues) using ERMRPRKRQGSVRR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	171	ChEMBL_1877835 (CHEMBL4379229)	Inhibition of recombinant full-length human PKCiota using ERMRPRKRQGSVRR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	172	ChEMBL_1877833 (CHEMBL4379227)	Inhibition of recombinant full length human PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	173	ChEMBL_1877831 (CHEMBL4379225)	Inhibition of recombinant full-length human PKD2 using KKLNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	174	ChEMBL_1878009 (CHEMBL4379403)	Inhibition of recombinant human PKR (252 to end residues) using RSRSRSRSRSRSRS as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	175	ChEMBL_1878011 (CHEMBL4379405)	Inhibition of recombinant human Plk3 (19 to 301 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	176	ChEMBL_1878015 (CHEMBL4379409)	Inhibition of recombinant human PRK1 V901I (498 to end residues) using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	177	ChEMBL_1878016 (CHEMBL4379410)	Inhibition of recombinant human PRK2 (501 to end residues) using AKRRRLSSLRA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	178	ChEMBL_1878018 (CHEMBL4379412)	Inhibition of recombinant human PRP4 (663 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	179	ChEMBL_1878019 (CHEMBL4379413)	Inhibition of recombinant human PTK5 (218 to end residues) using GGEEEEYFELVKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	180	ChEMBL_1878020 (CHEMBL4379414)	Inhibition of recombinant human full length PYK2 using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	181	ChEMBL_1878024 (CHEMBL4379418)	Inhibition of recombinant human RIPK1 (8 to 322 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	182	ChEMBL_1878025 (CHEMBL4379419)	Inhibition of recombinant human RIPK2 (1 to 299 residues) using MBP as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	183	ChEMBL_1878026 (CHEMBL4379420)	Inhibition of recombinant human Ron (983 to end residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	184	ChEMBL_1878028 (CHEMBL4379422)	Inhibition of recombinant human RSE (451 to end residues) using KVEKIGEGTYGVV as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	185	ChEMBL_1878029 (CHEMBL4379423)	Inhibition of recombinant full length human Rsk1 using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	186	ChEMBL_1878031 (CHEMBL4379425)	Inhibition of recombinant full length human Rsk3 using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	187	ChEMBL_1878033 (CHEMBL4379427)	Inhibition of recombinant human full length SAPK2a using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	188	ChEMBL_1878035 (CHEMBL4379429)	Inhibition of recombinant human full length SAPK2b using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	189	ChEMBL_1878037 (CHEMBL4379431)	Inhibition of recombinant human full length SAPK4 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	190	ChEMBL_1878038 (CHEMBL4379432)	Inhibition of recombinant full-length human SBK1 using KKLRRTLSVA as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	191	ChEMBL_1878041 (CHEMBL4379435)	Inhibition of recombinant human SGK3 (119 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	192	ChEMBL_1878043 (CHEMBL4379437)	Inhibition of recombinant human SIK2 (1 to 276 residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	193	ChEMBL_1878044 (CHEMBL4379438)	Inhibition of recombinant human SIK3 (1 to 307 residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	194	ChEMBL_1878048 (CHEMBL4379442)	Inhibition of recombinant human SRC (1 to 530 residues) using GGEEEEYFELVKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	195	ChEMBL_1878052 (CHEMBL4379446)	Inhibition of human STK16 in presence of 10 uM ATP by radiometric analysis
50008482	196	ChEMBL_1878053 (CHEMBL4379447)	Inhibition of recombinant human STK25 (1 to 308 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	197	ChEMBL_1878054 (CHEMBL4379448)	Inhibition of recombinant human full length STK32A using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	198	ChEMBL_1878056 (CHEMBL4379450)	Inhibition of recombinant human full length STK32C using casein as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	199	ChEMBL_1878058 (CHEMBL4379452)	Inhibition of recombinant human full length SYK using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	200	ChEMBL_1878062 (CHEMBL4379456)	Inhibition of recombinant human TAO2 (1 to 320 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	201	ChEMBL_1878063 (CHEMBL4379457)	Inhibition of recombinant human TAO3 N47S mutant (1 to 411 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	202	ChEMBL_1878064 (CHEMBL4379458)	Inhibition of recombinant full length human TBK1 using KRRRALS(p)VAS as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	203	ChEMBL_1878067 (CHEMBL4379461)	Inhibition of recombinant human TGFBR2 (188 to end residues) using MBP as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	204	ChEMBL_1878068 (CHEMBL4379462)	Inhibition of recombinant human TIE2 Q939H/Q940H double mutant (771 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	205	ChEMBL_1878072 (CHEMBL4379466)	Inhibition of recombinant human TLK2 (387 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	206	ChEMBL_1878075 (CHEMBL4379469)	Inhibition of recombinant human TRKA (440 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	207	ChEMBL_1878077 (CHEMBL4379471)	Inhibition of recombinant human TRKC (510 to end residues) using GEEPLYWSFPAKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	208	ChEMBL_1878078 (CHEMBL4379472)	Inhibition of recombinant full-length human TSSK1 using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	209	ChEMBL_1878079 (CHEMBL4379473)	Inhibition of recombinant full-length human TSSK2 using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	210	ChEMBL_1878083 (CHEMBL4379477)	Inhibition of recombinant human TTBK2 (1 to331 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	211	ChEMBL_1878084 (CHEMBL4379478)	Inhibition of recombinant full-length human TTK S389A mutant using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	212	ChEMBL_1878086 (CHEMBL4379480)	Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	213	ChEMBL_1878089 (CHEMBL4379483)	Inhibition of recombinant human full length ULK3 using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	214	ChEMBL_1878090 (CHEMBL4379484)	Inhibition of human VRK1 in presence of 10 uM ATP by radiometric analysis
50008482	215	ChEMBL_1878093 (CHEMBL4379487)	Inhibition of recombinant full length human WEE1b using LSNLYHQGKFLQTFCGSPLYRRR as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	216	ChEMBL_1878094 (CHEMBL4379488)	Inhibition of recombinant human WNK1 (1 to 491 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	217	ChEMBL_1878097 (CHEMBL4379491)	Inhibition of recombinant full-length human Yes using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	218	ChEMBL_1878098 (CHEMBL4379492)	Inhibition of recombinant full-length human ZAK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	219	ChEMBL_1878099 (CHEMBL4379493)	Inhibition of recombinant full length human ZAP70 using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	220	ChEMBL_1878104 (CHEMBL4379498)	Inhibition of recombinant human full length PI3K p110beta/p85alpha using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	221	ChEMBL_1878105 (CHEMBL4379499)	Inhibition of recombinant human full length PI3K p110alpha/p85alpha E545K mutant using phosphatidylinositol 4,5-bisphosphate as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	222	ChEMBL_1878109 (CHEMBL4379503)	Inhibition of human PI3KC2
50008482	223	ChEMBL_1877685 (CHEMBL4379079)	Inhibition of recombinant full length human AURORA-B using AKRRRLSSLRA as substrate incubated for 40 mins in presence of [gamma-33P]ATP and 10 uM ATP by radiometric scintillation counting analysis
50008482	224	ChEMBL_1878042 (CHEMBL4379436)	Inhibition of recombinant human SIK (1 to 281 residues) using AMARAASAAALARas substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	225	ChEMBL_1878050 (CHEMBL4379444)	Inhibition of recombinant human SRPK1 (2 to end residues) using RSRSRSRSRSRSRSR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	226	ChEMBL_1878073 (CHEMBL4379467)	Inhibition of human TNIK (1 to 367 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	227	ChEMBL_1878080 (CHEMBL4379474)	Inhibition of recombinant full-length human TSSK3 using AMARAASAAALAR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	228	ChEMBL_1878096 (CHEMBL4379490)	Inhibition of recombinant human WNK3 (1 to 434 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	229	ChEMBL_1878103 (CHEMBL4379497)	Inhibition of recombinant full length human DNA-PK using GST-cMyc-p53 as substrate incubated for 40 mins by fluorescence assay
50008482	230	ChEMBL_1877920 (CHEMBL4379314)	Inhibition of recombinant human EPhA8 (615 to 911 residues) at 1 uM using KTFCGTPEYLAPE as substrate incubated for 40 mins in presence of [gamma-33PATP] by radiometric scintillation counting analysis
50008482	231	ChEMBL_1877926 (CHEMBL4379320)	Inhibition of recombinant human ERBB4 (706 to 991 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	232	ChEMBL_1877929 (CHEMBL4379323)	Inhibition of recombinant human FES (2 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	233	ChEMBL_1877936 (CHEMBL4379330)	Inhibition of recombinant human FGR (2 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	234	ChEMBL_1877941 (CHEMBL4379335)	Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	235	ChEMBL_1877945 (CHEMBL4379339)	Inhibition of recombinant full length human GCN2 E556G mutant using RSRSRSRSRSRSR as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	236	ChEMBL_1877951 (CHEMBL4379345)	Inhibition of recombinant full length human GRK7 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	237	ChEMBL_1877956 (CHEMBL4379350)	Inhibition of human recombinant activated HCK (230 to 497 residues) using GGMEDIYFEFMGG as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	238	ChEMBL_1877960 (CHEMBL4379354)	Inhibition of human recombinant full length HIPK4 using RRRFRPASPLRGP as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	239	ChEMBL_1877966 (CHEMBL4379360)	Inhibition of recombinant full length human IKKalpha using peptide substrate after 40 mins by [gamma-33ATP]by radiometric scintillation counting analysis
50008482	240	ChEMBL_1877971 (CHEMBL4379365)	Inhibition of human recombinant IRE1 (465 to end residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	241	ChEMBL_1877978 (CHEMBL4379372)	Inhibition of human recombinant JAK3 (781 to end residues) using GGEEEEYFELVKK as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	242	ChEMBL_1877981 (CHEMBL4379375)	Inhibition of recombinant full length human JNK3 using peptide substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	243	ChEMBL_1877987 (CHEMBL4379381)	Inhibition of recombinant human LOK (1 to 348 residues) using RLGRDKYKTLRQI as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	244	ChEMBL_1877992 (CHEMBL4379386)	Inhibition of recombinant full length human MAPK1 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	245	ChEMBL_1877884 (CHEMBL4379278)	Inhibition of recombinant human MET A1209G/V1290L double mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	246	ChEMBL_1877887 (CHEMBL4379281)	Inhibition of recombinant human MET A1209G/V1290L/M1268T triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	247	ChEMBL_1877862 (CHEMBL4379256)	Inhibition of recombinant human MLCK (1425 to 1771 residues) using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	248	ChEMBL_1877868 (CHEMBL4379262)	Inhibition of recombinant human MRCKbeta (1 to 473 residues) using KKRNRTLTV as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	249	ChEMBL_1877871 (CHEMBL4379265)	Inhibition of recombinant full-length human MSSK1 using ERMRPRKRQGSVRRRV as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	250	ChEMBL_1877846 (CHEMBL4379240)	Inhibition of recombinant human MUSK (530 to end residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	251	ChEMBL_1877850 (CHEMBL4379244)	Inhibition of recombinant human NEK1 (1 to 505 residues) using RLGRDKYKTLRQI as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	252	ChEMBL_1877854 (CHEMBL4379248)	Inhibition of recombinant human NEK6 (2 to end residues) using FLAKSFGSPNRAYKK as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	253	ChEMBL_1877860 (CHEMBL4379254)	Inhibition of recombinant human full length NUAK2 using KKKVSRSGLYRSP as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	254	ChEMBL_1877904 (CHEMBL4379298)	Inhibition of recombinant human PAK5 (425 to end residues) using RRRLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	255	ChEMBL_1877899 (CHEMBL4379293)	Inhibition of human PDGFRalpha (550 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	256	ChEMBL_1877894 (CHEMBL4379288)	Inhibition of recombinant human PDK1 (52 to end residues) using KTFCGTPEYLAPE as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	257	ChEMBL_1877840 (CHEMBL4379234)	Inhibition of recombinant human PKCbeta2 (2 to end residues) using histone H1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	258	ChEMBL_1878010 (CHEMBL4379404)	Inhibition of recombinant full-length human Plk1 using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	259	ChEMBL_1878021 (CHEMBL4379415)	Inhibition of recombinant human Ret (658 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	260	ChEMBL_1878034 (CHEMBL4379428)	Inhibition of recombinant human full length SAPK2a T106M mutant using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	261	ChEMBL_1878046 (CHEMBL4379440)	Inhibition of recombinant human SNK (65 to 409 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	262	ChEMBL_1878060 (CHEMBL4379454)	Inhibition of recombinant human TAK1 (1 to 303 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	263	ChEMBL_1878074 (CHEMBL4379468)	Inhibition of recombinant full-length human TRB2 using RRRFRPASPLRGP as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	264	ChEMBL_1878087 (CHEMBL4379481)	Inhibition of recombinant human ULK1 (1 to 314 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	265	ChEMBL_1878101 (CHEMBL4379495)	Inhibition of recombinant full-length human ATM using GST-cMyc-p53 as substrate measured after 40 mins by ELISA
50008482	266	ChEMBL_1877733 (CHEMBL4379127)	Inhibition of human recombinant ABL1 H396P mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometry scintillation counting analysis assay
50008482	267	ChEMBL_1877783 (CHEMBL4379177)	Inhibition of recombinant full length human CDK9/cyclinT1 using KTFCGTPEYLAPE as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	268	ChEMBL_1877930 (CHEMBL4379324)	Inhibition of recombinant human FGFR1 (456 to 765 residues) using KKKSPGEYVNIEF as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	269	ChEMBL_1877938 (CHEMBL4379332)	Inhibition of recombinant human FLT3 D835Y mutant (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	270	ChEMBL_1877946 (CHEMBL4379340)	Inhibition of recombinant full length human GRK1 using KKKKERLLDDRHD as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	271	ChEMBL_1877961 (CHEMBL4379355)	Inhibition of human recombinant HPK1 (1 to 346 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	272	ChEMBL_1877968 (CHEMBL4379362)	Inhibition of recombinant full length human IKKepsilon using casein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	273	ChEMBL_1877976 (CHEMBL4379370)	Inhibition of human recombinant JAK1 (866 to end residues) using GEEPLYWSFPAKK as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	274	ChEMBL_1877991 (CHEMBL4379385)	Inhibition of recombinant human MAK using RRRFRPASPLRGP as substrate after 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	275	ChEMBL_1877999 (CHEMBL4379393)	Inhibition of recombinant full length human MEK1 using inactive MAPK2 as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	276	ChEMBL_1877880 (CHEMBL4379274)	Inhibition of recombinant human MET A1209G/V1290L/Y1248H triple mutant (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	277	ChEMBL_1877866 (CHEMBL4379260)	Inhibition of recombinant human MOK (1 to 343 residues) using RSRSRSRSRSRSR as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	278	ChEMBL_1877874 (CHEMBL4379268)	Inhibition of recombinant human MST3 (1 to 304 residues) using ERMRPRKRQGSVR as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	279	ChEMBL_1877857 (CHEMBL4379251)	Inhibition of recombinant full length human NIM1 using KKKVSRSGLYRSP as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	280	ChEMBL_1877906 (CHEMBL4379300)	Inhibition of recombinant human PAK4 (295 to end residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	281	ChEMBL_1877898 (CHEMBL4379292)	Inhibition of human PDGFRalpha D842V mutant (550 to end residues) using GGMEDIYFEFMGG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	282	ChEMBL_1877808 (CHEMBL4379202)	Inhibition of recombinant human CLK4 (128 to end residues) using YRRAAVPPSPSLSR as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	283	ChEMBL_1877819 (CHEMBL4379213)	Inhibition of recombinant human DCAMKL2 (376 to end residues) using KKLNRTLSFAEPG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	284	ChEMBL_1877910 (CHEMBL4379304)	Inhibition of recombinant human EGFR L858R mutant (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	285	ChEMBL_1877921 (CHEMBL4379315)	Inhibition of recombinant human EphB1 (564 to end residues) using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	286	ChEMBL_1877935 (CHEMBL4379329)	Inhibition of recombinant human FGFR4 (442 to 755 residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	287	ChEMBL_1877948 (CHEMBL4379342)	Inhibition of recombinant full length human GRK3 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	288	ChEMBL_1877962 (CHEMBL4379356)	Inhibition of human recombinant HRI (140 to end residues) using RSRSRSRSRSRSR as substrate after 120 mins by [gamma-33ATP] radiometric assay
50008482	289	ChEMBL_1877975 (CHEMBL4379369)	Inhibition of human recombinant Itk (352 to 617 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] by radiometric scintillation counting analysis
50008482	290	ChEMBL_1877989 (CHEMBL4379383)	Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQI as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	291	ChEMBL_1878002 (CHEMBL4379396)	Inhibition of recombinant full length human MARK3 using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP by radiometric scintillation counting analysis
50008482	292	ChEMBL_1877883 (CHEMBL4379277)	Inhibition of recombinant human MKK7 (2 to end residues) using inactive JNK1a1 as substrate incubated for 40 mins by radiometric scintillation counting analysis
50008482	293	ChEMBL_1877873 (CHEMBL4379267)	Inhibition of recombinant human MST2 (2 to end residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	294	ChEMBL_1877856 (CHEMBL4379250)	Inhibition of recombinant human NEK9 (1 to 324 residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	295	ChEMBL_1877901 (CHEMBL4379295)	Inhibition of recombinant human PASK (995 to end residues) using KKLNRTLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	296	ChEMBL_1877746 (CHEMBL4379140)	Inhibition of human full length AMPKalpha1 recombinant using AMARAASAAALAR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	297	ChEMBL_1877759 (CHEMBL4379153)	Inhibition of recombinant full length human BTK R28H mutant using KVEKIGEGTYGVV substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	298	ChEMBL_1877772 (CHEMBL4379166)	Inhibition of recombinant full length human CaMKK2 T85S mutant using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	299	ChEMBL_1877787 (CHEMBL4379181)	Inhibition of recombinant full length human cyclinY/CDK18 T166M mutant using YRRAAVPPSPSLS as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	300	ChEMBL_1877800 (CHEMBL4379194)	Inhibition of recombinant human CK1delta (1 to 294 residues) using KRRRALS(p)VAS as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	301	ChEMBL_1877683 (CHEMBL4379077)	Inhibition of human LIMK2 in presence of 10 uM of ATP by radiometric analysis
50008482	302	ChEMBL_1877687 (CHEMBL4379081)	Inhibition of recombinant full length human PKG1beta using RRRLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	303	ChEMBL_1877735 (CHEMBL4379129)	Inhibition of human recombinant ABL1 Q252H mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	304	ChEMBL_1877740 (CHEMBL4379134)	Inhibition of human recombinant ALK (1058 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	305	ChEMBL_1877744 (CHEMBL4379138)	Inhibition of human recombinant ALK6 (148 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	306	ChEMBL_1877750 (CHEMBL4379144)	Inhibition of human recombinant ASK1 (649 to 946 residues) using myelin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	307	ChEMBL_1877755 (CHEMBL4379149)	Inhibition of recombinant full length human BRK using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	308	ChEMBL_1877761 (CHEMBL4379155)	Inhibition of recombinant full length human B-Raf V599E mutant (416 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	309	ChEMBL_1877766 (CHEMBL4379160)	Inhibition of recombinant human CaMK2beta (1 to 315 residues) using calmodulin a substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	310	ChEMBL_1877770 (CHEMBL4379164)	Inhibition of recombinant full length human CaMK4 using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	311	ChEMBL_1877777 (CHEMBL4379171)	Inhibition of recombinant full length human CDK3/CyclinE using Histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	312	ChEMBL_1877780 (CHEMBL4379174)	Inhibition of recombinant full length human CDK5/p35 using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	313	ChEMBL_1877786 (CHEMBL4379180)	Inhibition of recombinant full length human CDK14/cyclinY in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	314	ChEMBL_1877790 (CHEMBL4379184)	Inhibition of recombinant full length human CDKL3 using RRRFRPASPLRGPPK as substrate incubated for 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	315	ChEMBL_1877796 (CHEMBL4379190)	Inhibition of recombinant human CHK2 R145W mutant (5 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	316	ChEMBL_1877801 (CHEMBL4379195)	Inhibition of recombinant human CK2 in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	317	ChEMBL_1877802 (CHEMBL4379196)	Inhibition of recombinant full length human CK2alpha1 using RRRDDDSDDD as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	318	ChEMBL_1877807 (CHEMBL4379201)	Inhibition of recombinant full length human CLK3 using ERMRPRKRQGSVR as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	319	ChEMBL_1877812 (CHEMBL4379206)	Inhibition of recombinant human C-Kit V560G mutant (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	320	ChEMBL_1877816 (CHEMBL4379210)	Inhibition of recombinant human C-Src using KVEKIGEGTYGVV as substrate incubated 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	321	ChEMBL_1877822 (CHEMBL4379216)	Inhibition of recombinant human DDR2 S642A mutant (467 to end residues) using KKSRGDYMTMQIG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	322	ChEMBL_1877825 (CHEMBL4379219)	Inhibition of recombinant full length human DRAK2 using KKRPQRRYSNVF as substrate at 120 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	323	ChEMBL_1877830 (CHEMBL4379224)	Inhibition of recombinant human eEF2K H23R mutant (2 to end residues) using RKKFGESEKTKTK as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	324	ChEMBL_1877912 (CHEMBL4379306)	Inhibition of recombinant human EGFR T790M mutant (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	325	ChEMBL_1877917 (CHEMBL4379311)	Inhibition of recombinant human EphA4 (601 to 892 residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33ATP] by radiometric scintillation counting analysis
50008482	326	ChEMBL_1877889 (CHEMBL4379283)	Inhibition of recombinant human Pim3 (2 to end residues) using RSRHSSYPAGT as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	327	ChEMBL_1877843 (CHEMBL4379237)	Inhibition of recombinant human PKBgamma S472D mutant (117 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	328	ChEMBL_1877838 (CHEMBL4379232)	Inhibition of recombinant human PKCdelta (2 to end residues) using ERMRPRKRQGSVRR as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	329	ChEMBL_1877834 (CHEMBL4379228)	Inhibition of recombinant full-length human PKCmu R135A mutant using KKLNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	330	ChEMBL_1878008 (CHEMBL4379402)	Inhibition of recombinant full-length human PKD3 using KKLRRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	331	ChEMBL_1878017 (CHEMBL4379411)	Inhibition of recombinant human full length PrKX using RRRLSFAEPG as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	332	ChEMBL_1878022 (CHEMBL4379416)	Inhibition of recombinant human Ret V804L mutant (658 to end residues) using KKKVSRSGLYRSP as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	333	ChEMBL_1878030 (CHEMBL4379424)	Inhibition of recombinant human Rsk2 (2 to end residues) using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	334	ChEMBL_1878036 (CHEMBL4379430)	Inhibition of recombinant human full length SAPK3 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	335	ChEMBL_1878039 (CHEMBL4379433)	Inhibition of recombinant human SGK S422D mutant (60 to end residues) using GRPRTSSFAEGKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	336	ChEMBL_1878071 (CHEMBL4379465)	Inhibition of recombinant full-length human TLK1 using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	337	ChEMBL_1878076 (CHEMBL4379470)	Inhibition of recombinant human TRKB (455 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	338	ChEMBL_1878082 (CHEMBL4379476)	Inhibition of recombinant human TTBK1 (1 to 479 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	339	ChEMBL_1878085 (CHEMBL4379479)	Inhibition of recombinant human Txk (256 to end residues) using GEEPLYWSFPAKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	340	ChEMBL_1878092 (CHEMBL4379486)	Inhibition of recombinant human WEE1 (214 to end residues) using LSNLYHQGKFLQT as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	341	ChEMBL_1878095 (CHEMBL4379489)	Inhibition of recombinant human WNK2 (166 to 489 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	342	ChEMBL_1878114 (CHEMBL4379508)	Inhibition of human recombinant Axl Q764R mutant (473 to end residues) using KKSRGDYMTMQIG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	343	ChEMBL_1878045 (CHEMBL4379439)	Inhibition of recombinant human SLK (1 to 373 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	344	ChEMBL_1878049 (CHEMBL4379443)	Inhibition of recombinant full length human SRC T341M mutant using GGEEEEYFELVKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	345	ChEMBL_1878055 (CHEMBL4379449)	Inhibition of recombinant human full length STK32B using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	346	ChEMBL_1878059 (CHEMBL4379453)	Inhibition of recombinant human TAF1L (1428 to end residues) using RRRFRPASPLRGP as substrate incubated for 120 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	347	ChEMBL_1878066 (CHEMBL4379460)	Inhibition of recombinant human TGFBR1 T204D mutant (200 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	348	ChEMBL_1877686 (CHEMBL4379080)	Inhibition of recombinant full length human PKG1alpha using RRRLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33P]ATP and 10 uM ATP by radiometric scintillation counting analysis
50008482	349	ChEMBL_1877737 (CHEMBL4379131)	Inhibition of human recombinant ABL1 Y253F mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50008482	350	ChEMBL_1877745 (CHEMBL4379139)	Inhibition of human recombinant ARG (48 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	351	ChEMBL_1877752 (CHEMBL4379146)	Inhibition of human full-length recombinant BLK M287V mutant using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	352	ChEMBL_1877760 (CHEMBL4379154)	Inhibition of recombinant full length human B-Raf (416 to end residues) using myelin basic protein substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	353	ChEMBL_1877775 (CHEMBL4379169)	Inhibition of recombinant full length human CDK2/CyclinA using Histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	354	ChEMBL_1877791 (CHEMBL4379185)	Inhibition of recombinant full length human CDKL4 in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	355	ChEMBL_1877798 (CHEMBL4379192)	Inhibition of recombinant human CK1gamma2 (18 to end residues) using KRRRALS(p)VAS as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	356	ChEMBL_1878057 (CHEMBL4379451)	Inhibition of recombinant full-length human STK33 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	357	ChEMBL_1878088 (CHEMBL4379482)	Inhibition of recombinant human ULK2 (1 to 306 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008482	358	ChEMBL_1877768 (CHEMBL4379162)	Inhibition of recombinant full length human CaMK1delta using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	359	ChEMBL_1877953 (CHEMBL4379347)	Inhibition of human GSK-3beta H350L mutant (2 to end residues) using YRRAAVPPSPSLSR as substrate after 40 mins by [gamma-33ATP] radiometric assay
50008482	360	ChEMBL_1877984 (CHEMBL4379378)	Inhibition of recombinant full length activated human LCK using KVEKIGEGTYGVV as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50008482	361	ChEMBL_1877849 (CHEMBL4379243)	Inhibition of recombinant human NDR2 (83 to end residues) using RSRSRSRSRSRSRSR as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50008483	1	ChEMBL_1878117 (CHEMBL4379511)	Displacement of [3H]-RTX from rat TRPV1 expressed in CHO cells incubated for 60 mins by radioligand competition assay based scintillation counting method
50008483	2	ChEMBL_1878115 (CHEMBL4379509)	Displacement of [3H]-RTX from human TRPV1 expressed in CHO cells incubated for 60 mins by radioligand competition assay based scintillation counting method
50008483	3	ChEMBL_1878116 (CHEMBL4379510)	Agonist activity at human TRPV1 expressed in CHO cells assessed as increase in 45Ca2+ uptake incubated for 5 mins by liquid scintillation counting method
50008483	4	ChEMBL_1878118 (CHEMBL4379512)	Agonist activity at rat TRPV1 expressed in CHO cells assessed as increase in 45Ca2+ uptake incubated for 5 mins by liquid scintillation counting method
50008484	1	ChEMBL_1878177 (CHEMBL4379571)	Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr) 4:1 as substrate measured after 150 mins in presence of ATP by ADP-glo reagent based luminescence assay
50008484	2	ChEMBL_1878178 (CHEMBL4379572)	Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using Her2 peptide as substrate measured after 4 hrs in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
50008484	3	ChEMBL_1878251 (CHEMBL4379645)	Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by Western blot analysis
50008484	4	ChEMBL_1878253 (CHEMBL4379647)	Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 1000 nM after 1 hr by Western blot analysis
50008484	5	ChEMBL_1878213 (CHEMBL4379607)	Inhibition of human C-src using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50008484	6	ChEMBL_1878252 (CHEMBL4379646)	Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 nM after 1 hr by Western blot analysis
50008484	7	ChEMBL_1878254 (CHEMBL4379648)	Inhibition of wild type FLT3 ITD/D835Y double mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD/D835Y autophosphorylation at 0.1 to 1000 nM after 1 hr by Western blot analysis
50008484	8	ChEMBL_1878216 (CHEMBL4379610)	Inhibition of human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50008486	1	ChEMBL_1878298 (CHEMBL4379692)	Inhibition of BuChE in human plasma using butyrylthiocholine iodide substrate by Ellman's protocol based assay
50008486	2	ChEMBL_1878293 (CHEMBL4379687)	Inhibition of voltage-dependent L-type calcium channel in 70 mM K+-induced human SH-SY5Y cells assessed as blocking of depolarization-induced Ca2+ uptake by Fluo-4/AM dye based fluorescence microplate reader assay
50008486	3	ChEMBL_1878294 (CHEMBL4379688)	Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50008486	4	ChEMBL_1878300 (CHEMBL4379694)	Antagonist activity at human H4 receptor expressed in CHO-K1 cells co-expressing G protein alpha16 assessed as inhibition of histamine-induced calcium mobilization incubated for 16 hrs by aequorin-based functional assay
50008487	1	ChEMBL_1878368 (CHEMBL4379762)	Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay
50008487	2	ChEMBL_1878366 (CHEMBL4379760)	Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay
50008487	3	ChEMBL_1878371 (CHEMBL4379765)	Displacement of radioligand from human adenosine receptor A2B expressed in CHO cell membranes by radioligand competition assay
50008487	4	ChEMBL_1878367 (CHEMBL4379761)	Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay
50008487	5	ChEMBL_1878369 (CHEMBL4379763)	Antagonist activity at human adenosine receptor A3 expressed in CHO cells assessed as suppression of NECA-induced decrease of cAMP accumulation by Glo-sensor cAMP assay
50008487	6	ChEMBL_1878370 (CHEMBL4379764)	Antagonist activity at human adenosine receptor A2B expressed in CHO cells assessed as suppression of NECA-induced decrease of cAMP accumulation by Glo-sensor cAMP assay
50008488	1	ChEMBL_1878374 (CHEMBL4379768)	Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced beta-arrestin2 recruitment after 90 mins in presence of CP55940 at EC20 concentration by pathhunter beta-arrestin assay
50008488	2	ChEMBL_1878372 (CHEMBL4379766)	Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced inhibition of forskolin-stimulated cAMP production after 30 mins in presence of CP55940 at EC20 concentration by hit-hunter cAMP assay
50008488	3	ChEMBL_1878382 (CHEMBL4379776)	Allosteric agonist activity at N-terminal GFP-tagged rat CB1R expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 min by TR-FRET assay
50008488	4	ChEMBL_1878386 (CHEMBL4379780)	Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition of forskolin-induced cAMP accumulation at 0.1 microM after 30 mins by TR-FRET assay (Rvb = 22 +/- 6 nM)
50008488	5	ChEMBL_1878393 (CHEMBL4379787)	Displacement of [3H]CP55940 from human CB1R receptor expressed in CHO cell membranes after 60 mins by liquid scintillation spectrometry analysis
50008488	6	ChEMBL_1878399 (CHEMBL4379793)	Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced inhibition of forskolin-induced cAMP accumulation after 90 mins in presence of 100 nM CP55940 by hit-hunter cAMP assay
50008488	7	ChEMBL_1878384 (CHEMBL4379778)	Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition of forskolin-induced cAMP accumulation at 0.001 microM after 30 mins by TR-FRET assay (Rvb = 22 +/- 6 nM)
50008488	8	ChEMBL_1878395 (CHEMBL4379789)	Agonist activity at human CB1 receptor expressed in CHO cell membranes assessed as increase in G-protein coupling by measuring [35S]GTPgammaS binding after 90 mins in presence of [35S]GTPgammaS by liquid scintillation analysis
50008488	9	ChEMBL_1878397 (CHEMBL4379791)	Allosteric agonist activity at human CB1R expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 90 mins by hit-hunter cAMP assay
50008488	10	ChEMBL_1878401 (CHEMBL4379795)	Allosteric agonist activity at human CB1R expressed in CHO-K1 cells assessed as increase in beta arrestin2 recruitment after 90 mins by pathhunter beta-arrestin assay
50008488	11	ChEMBL_1878403 (CHEMBL4379797)	Positive allosteric modulatory activity at human CB1R expressed in CHO-K1 cells assessed as increase in CP55940-induced beta arrestin2 recruitment after 90 mins in presence of 100 nM CP55940 by pathhunter beta-arrestin assay
50008488	12	ChEMBL_1878385 (CHEMBL4379779)	Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition of forskolin-induced cAMP accumulation at 0.03 microM after 30 mins by TR-FRET assay (Rvb = 22 +/- 6 nM)
50008488	13	ChEMBL_1878387 (CHEMBL4379781)	Positive allosteric modulatory activity at N-terminal GFP-tagged rat CB1R receptor expressed in HEK293 cells assessed as CP55940 EC50 for inhibition of forskolin-induced cAMP accumulation at 0.3 microM after 30 mins by TR-FRET assay (Rvb = 22 +/- 6 nM)
50008488	14	ChEMBL_1878392 (CHEMBL4379786)	Displacement of [3H]SR141716A from human CB1R receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation spectrometry analysis
50008489	1	ChEMBL_1878475 (CHEMBL4379869)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008489	2	ChEMBL_1878477 (CHEMBL4379871)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008489	3	ChEMBL_1878474 (CHEMBL4379868)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008489	4	ChEMBL_1878476 (CHEMBL4379870)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008489	5	ChEMBL_1878478 (CHEMBL4379872)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008489	6	ChEMBL_1878473 (CHEMBL4379867)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 1 hr prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50008490	1	ChEMBL_1878502 (CHEMBL4379896)	Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by competitive fluorescence polarization assay
50008490	2	ChEMBL_1878505 (CHEMBL4379899)	Inhibition of CYP3A4 (unknown origin)
50008493	1	ChEMBL_1878545 (CHEMBL4379939)	Inhibition of MEK1 (unknown origin) incubated for 60 mins in presence of ATP by Kinase Glo luminescence assay
50008499	1	ChEMBL_1878549 (CHEMBL4379943)	Inhibition of Dengue virus NS2B-NS3 protease using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-NO2)-Tyr-NH2 FRET substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorimetric analysis
50008499	2	ChEMBL_1878551 (CHEMBL4379945)	Inhibition of West Nile virus NS2B-NS3 protease using 2-Abz-Nle-Lys-Arg-Arg-Ser-(3-NO2)-Tyr-NH2 FRET substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by fluorimetric analysis
50008500	1	ChEMBL_1878587 (CHEMBL4379981)	Inhibition of human DPP4
50008500	2	ChEMBL_1878589 (CHEMBL4379983)	Inhibition of human DPP4 in pH 7.4 Tris buffer using AP-7-ATFMC as substrate preincubated for 15 mins followed by substrate addition by microplate reader analysis
50008501	1	ChEMBL_1878605 (CHEMBL4379999)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50008501	2	ChEMBL_1878607 (CHEMBL4380001)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate pre-incubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50008501	3	ChEMBL_1878608 (CHEMBL4380002)	Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK-Quencher as substrate measured after 60 mins by FRET based spectrofluorometric assay
50008501	4	ChEMBL_1878631 (CHEMBL4380025)	Inhibition of BACE1 (unknown origin)
50008501	5	ChEMBL_1878632 (CHEMBL4380026)	Inhibition of equine BuChE
50008502	1	ChEMBL_1878644 (CHEMBL4380038)	Inhibition of rat lens ALR2 using 4-hydroxynonenal glutathione as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis
50008502	2	ChEMBL_1878634 (CHEMBL4380028)	Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by spectrophotometric analysis
50008502	3	ChEMBL_1878635 (CHEMBL4380029)	Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spectrophotometric analysis
50008502	4	ChEMBL_1878639 (CHEMBL4380033)	Inhibition of human AKR1B1 expressed in Escherichia coli using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by spectrophotometric analysis
50008502	5	ChEMBL_1878641 (CHEMBL4380035)	Inhibition of human AKR1B10 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by spectrophotometric analysis
50008502	6	ChEMBL_1878642 (CHEMBL4380036)	Inhibition of rat lens ALR2 using methylglyoxal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis
50008502	7	ChEMBL_1878643 (CHEMBL4380037)	Inhibition of rat lens ALR2 using 4-hydroxynonenal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis
50008504	1	ChEMBL_1878648 (CHEMBL4380042)	Inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins by TR-FRET assay
50008504	2	ChEMBL_1878653 (CHEMBL4380047)	Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins by TR-FRET assay
50008504	3	ChEMBL_1878651 (CHEMBL4380045)	Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in presence of 1 uM RORgamma agonist cholesterol by TR-FRET assay
50008504	4	ChEMBL_1878650 (CHEMBL4380044)	Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in presence of 0.25 uM RORgamma agonist cholesterol by TR-FRET assay
50008504	5	ChEMBL_1878649 (CHEMBL4380043)	Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of N-terminal biotinylated co-activator SRC1 box2 peptide recruitment measured after 30 mins in absence of RORgamma agonist cholesterol by TR-FRET assay
50008504	6	ChEMBL_1878652 (CHEMBL4380046)	Displacement of Alexa647-labeled MRL-87 from human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) measured after 30 mins by TR-FRET assay
50008506	1	ChEMBL_1878665 (CHEMBL4380059)	Inhibition of human recombinant CYP1A2 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 50 mins by fluorometry
50008506	2	ChEMBL_1878664 (CHEMBL4380058)	Inhibition of human recombinant CYP1A1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 15 mins by fluorometry
50008506	3	ChEMBL_1878663 (CHEMBL4380057)	Inhibition of human recombinant CYP1B1 using 7-ethoxyresorufin as substrate in presence of glucose-6-phosphate, glucose-6-phosphate dehydrogenase and NADPH-generating system incubated for 35 mins by fluorometry
50008507	1	ChEMBL_1878696 (CHEMBL4380090)	Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2C receptor expressed in CHO cell membranes incubated for 60 mins
50008507	2	ChEMBL_1878689 (CHEMBL4380083)	Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in rat RBL cell membranes incubated for 60 mins
50008507	3	ChEMBL_1878690 (CHEMBL4380084)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cell membranes incubated for 60 mins
50008507	4	ChEMBL_1878692 (CHEMBL4380086)	Displacement of [3H]prazosin from human recombinant adrenergic alpha-1B receptor expressed in CHO cell membranes incubated for 60 mins
50008507	5	ChEMBL_1878694 (CHEMBL4380088)	Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2A receptor expressed in CHO cell membranes incubated for 60 mins
50008507	6	ChEMBL_1878688 (CHEMBL4380082)	Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in rat Chem-1 (RBL) cell membranes incubated for 60 mins
50008507	7	ChEMBL_1878691 (CHEMBL4380085)	Displacement of [3H]prazosin from human recombinant adrenergic alpha-1A receptor expressed in CHO cell membranes incubated for 60 mins
50008507	8	ChEMBL_1878693 (CHEMBL4380087)	Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 mins
50008507	9	ChEMBL_1878695 (CHEMBL4380089)	Displacement of [3H]RX 821002 from human recombinant adrenergic alpha-2B receptor expressed in CHO cell membranes incubated for 60 mins
50008507	10	ChEMBL_1878711 (CHEMBL4380105)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells assessed as stimulation of cAMP accumulation by HTRF assay
50008507	11	ChEMBL_1878697 (CHEMBL4380091)	Agonist activity at human recombinant mu opioid receptor expressed in CHO cells assessed as stimulation of cAMP accumulation incubated for 10 mins by HTRF assay
50008508	1	ChEMBL_1878748 (CHEMBL4380142)	Inhibition of 6xHis-tagged recombinant human DDAH1 expressed in Escherichia coli BL21 cells using NMMA as substrate measured after 30 mins by colder reagent based microplate reader assay
50008509	1	ChEMBL_1878771 (CHEMBL4380165)	Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using WRCYEKMALK as substrate measured after 10 mins by LC-MS analysis
50008509	2	ChEMBL_1878762 (CHEMBL4380156)	Inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate measured after 1 hr by fluorescence assay
50008509	3	ChEMBL_1878764 (CHEMBL4380158)	Inhibition of recombinant mouse C-terminal His6-tagged IRAP expressed in baculovirus infected BTA-TN-5B1-4 insect cells using L-AMC as substrate measured after 1 hr by fluorescence assay
50008509	4	ChEMBL_1878765 (CHEMBL4380159)	Inhibition of recombinant human C-terminal His6-tagged ERAP2 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using R-AMC as substrate measured after 1 hr by fluorescence assay
50008509	5	ChEMBL_1878780 (CHEMBL4380174)	Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying levels of L-pNA as substrate incubated for 1 hr and measured for 5 to 10 mins by fluorescence-based Michaelis-Menten equation analysis
50008509	6	ChEMBL_1878782 (CHEMBL4380176)	Competitive inhibition of recombinant human C-terminal His6-tagged ERAP1 expressed in baculovirus infected BTA-TN-5B1-4 insect cells using varying levels of LVAFKARKF as substrate measured at 2.5 mins interval for 20 mins by ABTS reagent based horseradish peroxidase-coupled Michaelis-Menten equation analysis
50008509	7	ChEMBL_1878785 (CHEMBL4380179)	Inhibition of ERAP1 in human HeLa cells stably expressing H-2 Kb infected with vaccinia virus containing ss-LEQLE-SIINFEKL epitope assessed as suppression of ss-LEQLE-SIINFEKL binding to MHC1 H-2 Kb at cell surface by measuring reduction in 25D1 staining measured after 16 to 24 hrs by flow cytometric method
50008510	1	ChEMBL_1878790 (CHEMBL4380184)	Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins followed by [3H]dopamine addition and measured after 1 min by liquid scintillation analysis
50008510	2	ChEMBL_1878792 (CHEMBL4380186)	Inhibition of wild type human SERT expressed in HEK293 cells assessed as inhibition of [3H]-5HT reuptake preincubated for 5 mins followed by [3H]5HT addition and measured after 1 min by liquid scintillation counting analysis
50008510	3	ChEMBL_1878791 (CHEMBL4380185)	Inhibition of wild type human NET expressed in HEK293 cells assessed as inhibition of [3H]-MPP+ reuptake preincubated for 5 mins followed by [3H]MPP+ addition and measured after 3 mins by liquid scintillation counting analysis
50008510	4	ChEMBL_1878814 (CHEMBL4380208)	Inhibition of wild type human NET expressed in HEK293 cells assessed as inhibition of [3H]-MPP+ reuptake preincubated for 8 mins followed by [3H]MPP+ addition and measured after 3 mins by liquid scintillation counting analysis
50008511	1	ChEMBL_1878864 (CHEMBL4380258)	Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB
50008514	1	ChEMBL_1878874 (CHEMBL4380268)	Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of biotinylated NAD+ by ELISA
50008514	2	ChEMBL_1878875 (CHEMBL4380269)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50008514	3	ChEMBL_1878934 (CHEMBL4380328)	Inhibition of recombinant human PARP2 using histone as substrate after 1 hr in presence of biotinylated NAD+ by ELISA
50008514	4	ChEMBL_1878935 (CHEMBL4380329)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50008514	5	ChEMBL_1878936 (CHEMBL4380330)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 2 hrs by ADP-glo plus luminescence assay
50008514	6	ChEMBL_1878937 (CHEMBL4380331)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50008517	1	ChEMBL_1878956 (CHEMBL4380350)	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in cell membranes incubated for 60 mins by scintillation counting method
50008517	2	ChEMBL_1878954 (CHEMBL4380348)	Displacement of [3H]DPCPX from human adenosine A1A receptor expressed in human CHO cell membranes incubated for 60 mins by scintillation counting method
50008517	3	ChEMBL_1878952 (CHEMBL4380346)	Displacement of [3H]spiperone from human dopamine D4 receptor expressed in cell membranes incubated for 60 mins by scintillation counting method
50008517	4	ChEMBL_1878950 (CHEMBL4380344)	Displacement of [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method
50008519	1	ChEMBL_1879017 (CHEMBL4380411)	Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells using NleTDY-pNA as substrate assessed as cleavage of pNA at pH 7.2 and 298 K by spectrophotometry analysis
50008519	2	ChEMBL_1879018 (CHEMBL4380412)	Inhibition of human cathepsin G using Suc-AAPF-MCA as substrate at pH 7.2 and 298 K measured every 60 secs for 600 secs
50008519	3	ChEMBL_1879019 (CHEMBL4380413)	Inhibition of human chymotrypsin using Suc-AAPF-MCA as substrate at pH 8 and 298 K measured every 60 secs for 600 secs
50008519	4	ChEMBL_1879020 (CHEMBL4380414)	Inhibition of recombinant human KLK7 expressed in Pichia pastoris X-33 using KHLY-pNA as substrate at pH 8 and 298 K measured every 60 secs for 600 secs
50008519	5	ChEMBL_1879021 (CHEMBL4380415)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate at pH 7.2 and 298 K measured every 60 secs for 600 secs
50008519	6	ChEMBL_1879023 (CHEMBL4380417)	Inhibition of human thrombin using Boc-VPR-MCA as substrate at pH 8 and 298 K measured every 60 secs for 600 secs
50008519	7	ChEMBL_1879024 (CHEMBL4380418)	Inhibition of human coagulation factor 12a using Ac-QRFR-pNA as substrate at pH 8 and 298 K measured every 60 secs for 600 secs
50008519	8	ChEMBL_1879030 (CHEMBL4380424)	Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells assessed as decrease in angiotensin 1 cleavage to angiotensin 2 incubated for 120 mins at 298 K by UPLC-MS analysis
50008519	9	ChEMBL_1879015 (CHEMBL4380409)	Inhibition of bovine beta-trypsin using L-BAPNA as substrate preincubated for 5 mins followed by substrate addition measured after 60 mins
50008520	1	ChEMBL_1879035 (CHEMBL4380429)	Antagonist activity at human EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins followed by addition of PGE2 by calcium flux assay
50008520	2	ChEMBL_1879037 (CHEMBL4380431)	Antagonist activity at human EP1 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins followed by addition of PGE2 by calcium flux assay
50008520	3	ChEMBL_1879038 (CHEMBL4380432)	Antagonist activity at human EP2 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins followed by addition of PGE2 by calcium flux assay
50008520	4	ChEMBL_1879039 (CHEMBL4380433)	Antagonist activity at human EP3 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins followed by addition of PGE2 by calcium flux assay
50008520	5	ChEMBL_1879036 (CHEMBL4380430)	Antagonist activity at mouse EP4 expressed in CHO cells coexpressing G16-alpha assessed as intracellular calcium flux preincubated for 15 mins followed by addition of PGE2 by calcium flux assay
50008520	6	ChEMBL_1879059 (CHEMBL4380453)	Inhibition of human EP4 transfected in human HEK293 cells assessed as reduction in PGE2-induced cAMP level incubated for 15 mins followed by PGE2 stimulation and measured every 2 mins for 30 mins by GloSensor cAMP Assay
50008520	7	ChEMBL_1879060 (CHEMBL4380454)	Inhibition of human EP4 transfected in human HEK293 cells co transfected with CRE-luciferase assessed as reduction in PGE2-induced luciferase expression incubated for 24 hrs by luciferase reporter gene Assay
50008520	8	ChEMBL_1879061 (CHEMBL4380455)	Inhibition of human EP4 transfected in human HEK293 cells co transfected with SmBit-beta-arrestin. assessed as reduction in PGE2 induced-beta-arrestin recruitment by NanoBiT beta-arrestin recruitment assay
50008524	1	ChEMBL_1879085 (CHEMBL4380479)	Competitive inhibition of human N-terminal His6-SUMO tagged WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold(DE3) cells using 10-mer-Thr-FAM peptide as substrate after 1 hr by TR-FRET assay
50008525	1	ChEMBL_1879123 (CHEMBL4380517)	Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 10 uM of ATP by TR-FRET assay
50008525	2	ChEMBL_1879125 (CHEMBL4380519)	Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon expressed in baculovirus expression system using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 10 uM of ATP by TR-FRET assay
50008525	3	ChEMBL_1879129 (CHEMBL4380523)	Inhibition of recombinant full length human His-tagged CDK9/CyclinT1 expressed in baculovirus expression system using biotin-labelled Ttds-YISPLKSPYKISEG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 25 mins presence of 10 uM of ATP by TR-FRET assay
50008525	4	ChEMBL_1879130 (CHEMBL4380524)	Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in sf21 cells using biotin labelled Ahx-GGEEEEYFELVKKKK peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 45 mins in presence of 10 uM of ATP by TR-FRET assay
50008525	5	ChEMBL_1879132 (CHEMBL4380526)	Inhibition of wild-type human partial length DRAK1 (R32 to E363 residues) expressed in bacterial expression system by Kinomescan method
50008525	6	ChEMBL_1879133 (CHEMBL4380527)	Inhibition of wild-type human partial length ULK1 (M1 to T309 residues) expressed in mammalian expression system by Kinomescan method
50008525	7	ChEMBL_1879124 (CHEMBL4380518)	Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 1 mM of ATP by TR-FRET assay
50008525	8	ChEMBL_1879126 (CHEMBL4380520)	Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-stimulated IRF3 phosphorylation at S385/386 residues preincubated for 1 hr followed by poly(I:C) addition and measured after 1 hr
50008525	9	ChEMBL_1879131 (CHEMBL4380525)	Inhibition of recombinant full length human His6-tagged RSK4 expressed in baculovirus infected sf21 cells using biotin labelled Ahx-KKLNRTLSFAEPG peptide as substrate preincubated with enzyme for 15 mins followed by substrate addition and further incubated for 30 mins in presence of 10 uM of ATP by TR-FRET assay
50008525	10	ChEMBL_1879147 (CHEMBL4380541)	Inhibition of human ERG
50008525	11	ChEMBL_1879141 (CHEMBL4380535)	Inhibition of CYP1A2 (unknown origin)
50008525	12	ChEMBL_1879142 (CHEMBL4380536)	Inhibition of CYP2C8 (unknown origin)
50008525	13	ChEMBL_1879144 (CHEMBL4380538)	Inhibition of CYP2D6 (unknown origin)
50008525	14	ChEMBL_1879145 (CHEMBL4380539)	Inhibition of CYP3A4 (unknown origin)
50008525	15	ChEMBL_1879143 (CHEMBL4380537)	Inhibition of CYP2C9 (unknown origin)
50008525	16	ChEMBL_1879146 (CHEMBL4380540)	Inhibition of CYP3A4 (unknown origin) measured under preincubated conditions
50008527	1	ChEMBL_1879190 (CHEMBL4380584)	Binding affinity to porcine brain tubulin polymerization by surface plasmon analysis analysis
50008527	2	ChEMBL_1879189 (CHEMBL4380583)	Inhibition of porcine brain tubulin polymerization measured at 30 secs interval for 65 mins by spectrophotometric method
50008530	1	ChEMBL_1879203 (CHEMBL4380597)	Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX2 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method
50008530	2	ChEMBL_1879202 (CHEMBL4380596)	Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from human wild-type OX1 receptor expressed in baculovirus infected Sf21 insect cell membranes measured after 90 mins by liquid scintillation counting method
50008531	1	ChEMBL_1879207 (CHEMBL4380601)	Inhibition of biotinylated PEX5-derived ALSENWAQEFLA binding to human N-terminal His-tagged PEX14 (21 to 84 residues) expressed in Escherichia coli BL21 by Alphascreen assay
50008532	1	ChEMBL_1879267 (CHEMBL4380661)	Inhibition of porcine brain tubulin polymerization measured at 1 min interval over 20 mins by absorbance based assay
50008533	1	ChEMBL_1879326 (CHEMBL4380720)	Inhibition of human ERG assessed as reduction in channel tail current by plate-based planar patch clamp assay
50008538	1	ChEMBL_1879331 (CHEMBL4380725)	Binding affinity to human wild-type partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by kinomescan assay
50008540	1	ChEMBL_1879422 (CHEMBL4380816)	Inhibition of recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in SMRT/BTB domain interaction incubated for 1 hr by HTRF assay
50008540	2	ChEMBL_1879452 (CHEMBL4380846)	Binding affinity to recombinant human C-terminal GST-tagged BCL6 BTB domain C8Q/C67R/C84N triple mutant expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by biolayer interferometry
50008540	3	ChEMBL_1879420 (CHEMBL4380814)	Binding affinity to lateral groove of BCL6 BTB domain (unknown origin)
50008540	4	ChEMBL_1879421 (CHEMBL4380815)	Binding affinity to recombinant BCL6 BTB domain (unknown origin) incubated for 10 mins by microscale thermophoresis assay
50008542	1	ChEMBL_1879547 (CHEMBL4380941)	Inhibition of bacterial InhA harboring S94A mutant using 2-trans-octenoyl-CoA or 2-trans-dodecenoyl-CoA as substrate
50008543	1	ChEMBL_1879552 (CHEMBL4380946)	Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKNRFVV-NH2 peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition after 60 mins in presence of ATP by caliper mobility shift assay
50008543	2	ChEMBL_1879554 (CHEMBL4380948)	Inhibition of MNK1/MNK2 in human HeLa cells overexpressing eIF4E assessed as reduction in eIF4E phosphorylation at Ser209 residue after 2 hrs by Alphascreen SureFly assay
50008543	3	ChEMBL_1879553 (CHEMBL4380947)	Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) expressed in Escherichia coli BL21 (DE3) cells using 5-FAM-TATKSGSTTKNRFVV-NH2 peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition after 60 mins in presence of ATP by caliper mobility shift assay
50008543	4	ChEMBL_1879561 (CHEMBL4380955)	Inhibition of CYP2D6 (unknown origin)
50008543	5	ChEMBL_1879583 (CHEMBL4380977)	Inhibition of MNK2 (unknown origin) using Km ATP by radiometric assay
50008543	6	ChEMBL_1879585 (CHEMBL4380979)	Inhibition of MNK2 (unknown origin)
50008543	7	ChEMBL_1879584 (CHEMBL4380978)	Inhibition of MNK1 (unknown origin)
50008543	8	ChEMBL_1879560 (CHEMBL4380954)	Inhibition of human ERG by manual patch clamp method
50008543	9	ChEMBL_1879562 (CHEMBL4380956)	Inhibition of CYP3A4 (unknown origin)
50008545	1	ChEMBL_1879589 (CHEMBL4380983)	Agonist activity at C3a receptor in human MDM cells assessed as induction of intracellular calcium release measured at 1 sec interval for => 200 secs by Fluo-3 AM dye-based FLIPR assay
50008545	2	ChEMBL_1879591 (CHEMBL4380985)	Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of C3a-induced intracellular calcium release preincubated for 30 mins followed by C3a addition and measured at 1 sec interval for => 200 secs by Fluo-3 AM dye-based FLIPR assay
50008545	3	ChEMBL_1879599 (CHEMBL4380993)	Antagonist at C3a receptor in human LAD2 cells assessed as inhibition of C3a-induced beta-hexosaminidase release preincubated for 30 mins followed by C3a addition
50008548	1	ChEMBL_1879629 (CHEMBL4381023)	Inhibition GST-tagged recombinant HRAS G12V mutant (1 to 166 amino acids) (unknown origin) expressed in Escherichia coli C41(DE3) by SPR assay
50008548	2	ChEMBL_1879625 (CHEMBL4381019)	Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR peptide substrate in presence of [gamma-33P]-ATP incubated for 30 mins by scintillation counting method
50008548	3	ChEMBL_1879630 (CHEMBL4381024)	Inhibition of beta2 adrenoreceptor (unknown origin)
50008548	4	ChEMBL_1879628 (CHEMBL4381022)	Binding affinity to Poly-Histidine-tagged CBP (unknown origin) expressed in Escherichia coli BL21(DE3) by competition binding assay
50008548	5	ChEMBL_1879627 (CHEMBL4381021)	Inhibition of human PDE10A2 using cAMP substrate by HTRF assay
50008548	6	ChEMBL_1879626 (CHEMBL4381020)	Inhibition of human N-myristoyltransferase assessed as reduction in CoASH production by fluorogenic detection based assay
50008549	1	ChEMBL_1879631 (CHEMBL4381025)	Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 10 mins by fluorescence polarization competition assay
50008549	2	ChEMBL_1879639 (CHEMBL4381033)	Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by SPR assay
50008549	3	ChEMBL_1879642 (CHEMBL4381036)	Binding affinity to Tec SH3 domain (unknown origin)
50008549	4	ChEMBL_1879634 (CHEMBL4381028)	Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 2 hrs by fluorescence polarization competition assay
50008549	5	ChEMBL_1879632 (CHEMBL4381026)	Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells interaction with Cy5-p22phox149-162 incubated for 10 mins in presence of TCEP by fluorescence polarization competition assay
50008550	1	ChEMBL_1879787 (CHEMBL4381181)	Binding affinity to recombinant full-length HSP90 N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal calorimetric method
50008550	2	ChEMBL_1879785 (CHEMBL4381179)	Binding affinity to recombinant full-length biotinylated-HSP90 N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by biolayer interferometry
50008550	3	ChEMBL_1879800 (CHEMBL4381194)	Inhibition of recombinant full-length HSP90 ATPase activity N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) measured after 1 hr by ADP hunter plus assay
50008550	4	ChEMBL_1879784 (CHEMBL4381178)	Binding affinity to recombinant human full-length HSP90alpha by surface plasmon resonance analysis
50008553	1	ChEMBL_1880002 (CHEMBL4381396)	Inhibition of CYP3A4 in human liver microsomes using midazolam substrate in presence of NADPH incubated for 10 mins
50008553	2	ChEMBL_1879993 (CHEMBL4381387)	Inhibition of recombinant HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in to cDNA chain incubated for 1 hr by ELISA
50008553	3	ChEMBL_1879981 (CHEMBL4381375)	Inhibition of human ERG
50008553	4	ChEMBL_1879999 (CHEMBL4381393)	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate in presence of NADPH incubated for 10 mins
50008553	5	ChEMBL_1880000 (CHEMBL4381394)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin substrate in presence of NADPH incubated for 10 mins
50008553	6	ChEMBL_1880008 (CHEMBL4381402)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by whole cell patch clamp assay
50008553	7	ChEMBL_1880001 (CHEMBL4381395)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate in presence of NADPH incubated for 10 mins
50008553	8	ChEMBL_1879998 (CHEMBL4381392)	Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate in presence of NADPH incubated for 10 mins
50008555	1	ChEMBL_1880155 (CHEMBL4381549)	Inhibition of recombinant human acid sphingomyelinase (His62 to Pro628 residues) using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay
50008555	2	ChEMBL_1880130 (CHEMBL4381524)	Inhibition of human Huh7 cell derived acid sphingomyelinase using NBD-sphingomyelin as substrate after 30 mins by fluorescence based assay
50008555	3	ChEMBL_1880156 (CHEMBL4381550)	Inhibition of acid sphingomyelinase (unknown origin)
50008556	1	ChEMBL_1880168 (CHEMBL4381562)	Inhibition of CYP2C9 (unknown origin)
50008556	2	ChEMBL_1880174 (CHEMBL4381568)	Inhibition of mTOR in mouse MEF cells harboring TSC1 deletion mutant assessed as reduction in PS6 phosphorylation incuabted for 2 hrs alexa fluor 594 and Hoechst staining based fluorescence assay
50008556	3	ChEMBL_1880223 (CHEMBL4381617)	Inhibition of mTOR E2419K mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	4	ChEMBL_1880165 (CHEMBL4381559)	Inhibition of PI3Kdelta (unknown origin)
50008556	5	ChEMBL_1880164 (CHEMBL4381558)	Inhibition of PI3Kgamma (unknown origin)
50008556	6	ChEMBL_1880163 (CHEMBL4381557)	Inhibition of PI3Kbeta (unknown origin)
50008556	7	ChEMBL_1880162 (CHEMBL4381556)	Inhibition of PI3Kalpha (unknown origin)
50008556	8	ChEMBL_1880167 (CHEMBL4381561)	Inhibition of CYP2D6 (unknown origin)
50008556	9	ChEMBL_1880183 (CHEMBL4381577)	Inhibition of DNAPK (unknown origin)
50008556	10	ChEMBL_1880185 (CHEMBL4381579)	Inhibition of PDE4D (unknown origin)
50008556	11	ChEMBL_1880217 (CHEMBL4381611)	Inhibition of mTOR in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	12	ChEMBL_1880218 (CHEMBL4381612)	Inhibition of mTOR S2215F mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	13	ChEMBL_1880220 (CHEMBL4381614)	Inhibition of mTOR L1460P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	15	ChEMBL_1880219 (CHEMBL4381613)	Inhibition of mTOR S2215Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	16	ChEMBL_1880161 (CHEMBL4381555)	Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay
50008556	18	ChEMBL_1880222 (CHEMBL4381616)	Inhibition of mTOR L2427P mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008556	19	ChEMBL_1880221 (CHEMBL4381615)	Inhibition of mTOR C1483Y mutant in rat primary cortical neuron assessed as reduction in PS6 phosphorylation incubated for 4 hrs by Western blot analysis (Rvb = 19 nM)
50008559	1	ChEMBL_1880241 (CHEMBL4381635)	Inhibition of recombinant full-length N-terminal His-tagged human IDO1 (1 to 403 residues) expressed in Escherichia coli BL21(DE3) cells
50008559	2	ChEMBL_1880243 (CHEMBL4381637)	Inhibition of human IOD1 by HTS assay
50008559	3	ChEMBL_1880242 (CHEMBL4381636)	Inhibition of recombinant full-length human IDO1 by mass spectrometric analysis
50008561	1	ChEMBL_1880296 (CHEMBL4381690)	Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 mins by ELISA
50008562	1	ChEMBL_1880442 (CHEMBL4381836)	Displacement of [3H]diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay
50008562	2	ChEMBL_1880440 (CHEMBL4381834)	Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay
50008562	3	ChEMBL_1880445 (CHEMBL4381839)	Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scintillation counting assay
50008562	4	ChEMBL_1880441 (CHEMBL4381835)	Displacement of [3H]diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay
50008562	5	ChEMBL_1880446 (CHEMBL4381840)	Agonist activity at human DOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scintillation counting assay
50008562	6	ChEMBL_1880447 (CHEMBL4381841)	Agonist activity at human KOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scintillation counting assay
50008563	1	ChEMBL_1880463 (CHEMBL4381857)	Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	2	ChEMBL_1880472 (CHEMBL4381866)	Antagonist activity at rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	3	ChEMBL_1880487 (CHEMBL4381881)	Inhibition of Nav1.3 (unknown origin) expressed in Xenopus laevis oocytes at -80 mV holding potential by two electrode voltage-clamp assay
50008563	4	ChEMBL_1880467 (CHEMBL4381861)	Antagonist activity at rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	5	ChEMBL_1880461 (CHEMBL4381855)	Antagonist activity at rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	6	ChEMBL_1880465 (CHEMBL4381859)	Antagonist activity at rat alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	7	ChEMBL_1880466 (CHEMBL4381860)	Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008563	8	ChEMBL_1880488 (CHEMBL4381882)	Inhibition of rat Nav1.4 expressed in HEK293 cells at -80 mV holding potential by whole cell patch-clamp assay
50008563	9	ChEMBL_1880489 (CHEMBL4381883)	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential preincubated for 4 mins followed by Ach stimulation by two electrode voltage-clamp assay
50008563	10	ChEMBL_1880490 (CHEMBL4381884)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential preincubated for 5 mins followed by Ach stimulation by two electrode voltage-clamp assay
50008563	11	ChEMBL_1880482 (CHEMBL4381876)	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential by two electrode voltage-clamp assay
50008568	1	ChEMBL_1880498 (CHEMBL4381892)	Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting method
50008568	2	ChEMBL_1880497 (CHEMBL4381891)	Inhibition of human P2X3 assessed as reduction in agonist-induced intracellular Ca2+ concentration pre-incubated for 30 mins before agonist addition by calcium 5 dye based fluorescence assay
50008568	3	ChEMBL_1880499 (CHEMBL4381893)	Inhibition of human leukocyte elastase assessed as reduction in pNA release using chromogenic MeO-Suc-Ala-Ala-Pro-Val-pNA substrate measured over 10 mins by spectrophotometry
50008569	1	ChEMBL_1880552 (CHEMBL4381946)	Inhibition of recombinant human IDO1 using L-tryptophan as substrate incubated under dark conditions measured after 60 mins by fluorescence microplate reader assay
50008569	2	ChEMBL_1880586 (CHEMBL4381980)	Inhibition of TDO (unknown origin)
50008569	3	ChEMBL_1880554 (CHEMBL4381948)	Binding affinity to recombinant human IDO1 assessed as equilibrium dissociation constant by SPR assay
50008569	4	ChEMBL_1880555 (CHEMBL4381949)	Binding affinity to recombinant human IDO1 assessed as kinetic dissociation constant by SPR assay
50008569	5	ChEMBL_1880576 (CHEMBL4381970)	Binding affinity to STAT3 in human SKOV3 cells by SPR assay
50008569	6	ChEMBL_1880575 (CHEMBL4381969)	Binding affinity to STAT3 in human SKOV3 cells assessed as equilibrium dissociation constant after 200 sec by SPR assay
50008570	1	ChEMBL_1880728 (CHEMBL4382122)	Inhibition of CYP2C8 in human liver microsomes
50008570	2	ChEMBL_1880730 (CHEMBL4382124)	Inhibition of CYP2D6 in human liver microsomes
50008570	3	ChEMBL_1880731 (CHEMBL4382125)	Inhibition of CYP3A4 in human liver microsomes
50008570	4	ChEMBL_1880732 (CHEMBL4382126)	Inhibition of CYP3A5 in human liver microsomes
50008570	5	ChEMBL_1880726 (CHEMBL4382120)	Inhibition of CYP1A2 in human liver microsomes
50008570	6	ChEMBL_1880727 (CHEMBL4382121)	Inhibition of CYP2B6 in human liver microsomes
50008570	7	ChEMBL_1880729 (CHEMBL4382123)	Inhibition of CYP2C9 in human liver microsomes
50008571	1	ChEMBL_1880789 (CHEMBL4382183)	Inhibition of ERalpha in human T47D cells by ERE-driven luciferase reporter gene assay based target engagement assay
50008572	1	ChEMBL_1880792 (CHEMBL4382186)	Inhibition of human recombinant FAK using poly[Glu:Tyr] (4:1) substrate in presence of 10 mM ATP and [gamma33P]-ATP
50008574	1	ChEMBL_1880797 (CHEMBL4382191)	Induction of ERalpha protein degradation in human MCF7 cells assessed as reduction in ERalpha protein levels incubated for 24 hrs by In-cell western assay
50008580	1	ChEMBL_1880801 (CHEMBL4382300)	Inhibition of GST-tagged human EGFR T790M/L858R double mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay
50008580	2	ChEMBL_1880800 (CHEMBL4382299)	Inhibition of GST-tagged human EGFR T790M mutant cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay
50008580	3	ChEMBL_1880799 (CHEMBL4382298)	Inhibition of wild type GST-tagged human EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay
50008580	4	ChEMBL_1880798 (CHEMBL4382297)	Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay
50008580	5	ChEMBL_1880808 (CHEMBL4382307)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	6	ChEMBL_1880819 (CHEMBL4382318)	Inhibition of ALK L1152R mutant in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay in presence of osimertinib
50008580	7	ChEMBL_1880803 (CHEMBL4382302)	Inhibition of EGFR exon19 deletion mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	8	ChEMBL_1880804 (CHEMBL4382303)	Inhibition of EGFR T790M exon19 deletion double mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	9	ChEMBL_1880807 (CHEMBL4382306)	Inhibition of wild type EGFR (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	10	ChEMBL_1880802 (CHEMBL4382301)	Inhibition of EGFR L858R mutant (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	11	ChEMBL_1880805 (CHEMBL4382304)	Inhibition of EML4/ALK (unknown origin) transfected in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	12	ChEMBL_1881332 (CHEMBL4382831)	Inhibition of recombinant full length His-tagged human BTK cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay
50008580	13	ChEMBL_1880814 (CHEMBL4382313)	Inhibition of EGFR in human DFCI032 cells assessed as reduction in cell viability after 72 hrs in presence of ceritinib by MTS assay
50008580	14	ChEMBL_1880815 (CHEMBL4382314)	Inhibition of EML4/ALK in human DFCI032 cells assessed as reduction in cell viability after 72 hrs in presence of osimertinib by MTS assay
50008580	15	ChEMBL_1880824 (CHEMBL4382323)	Inhibition of EML4/ALK in human DFCI032 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	16	ChEMBL_1880825 (CHEMBL4382324)	Inhibition of EGFR in human DFCI032 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	17	ChEMBL_1880834 (CHEMBL4382333)	Inhibition of ALK L1152R mutant in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	18	ChEMBL_1881329 (CHEMBL4382828)	Inhibition of recombinant His-tagged human ErbB2 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay
50008580	19	ChEMBL_1881330 (CHEMBL4382829)	Inhibition of recombinant N-terminal GST-tagged human ErbB4 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay
50008580	20	ChEMBL_1881331 (CHEMBL4382830)	Inhibition of recombinant full length His-tagged human Blk cytoplasmic domain expressed in Baculovirus expression system by Z-LYTE assay
50008580	21	ChEMBL_1881334 (CHEMBL4382833)	Inhibition of recombinant GST/His-tagged human FER catalytic domain expressed in baculovirus expression system by Z-LYTE assay
50008580	22	ChEMBL_1881335 (CHEMBL4382834)	Inhibition of recombinant His-tagged human InsR (1011 to 1382 residues) expressed in baculovirus expression system by Z-LYTE assay
50008580	23	ChEMBL_1881338 (CHEMBL4382837)	Inhibition of recombinant full length GST-tagged human SLK expressed in baculovirus expression system by LanthaScreen assay
50008580	24	ChEMBL_1881339 (CHEMBL4382838)	Inhibition of recombinant GST-tagged human TNK2 catalytic/cytoplasmic domain (110 to 476 residues) expressed in baculovirus expression system by LanthaScreen assay
50008580	25	ChEMBL_1880818 (CHEMBL4382317)	Inhibition of EGFR in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay in presence of ceritinib
50008580	26	ChEMBL_1880833 (CHEMBL4382332)	Inhibition of EGFR in human DFCI076 cells assessed as reduction in cell viability after 72 hrs by MTS assay
50008580	27	ChEMBL_1881336 (CHEMBL4382835)	Inhibition of recombinant GST-tagged human LTK cytoplasmic domain (440 to 864 residues) expressed in baculovirus expression system by Z-LYTE assay
50008580	28	ChEMBL_1881333 (CHEMBL4382832)	Inhibition of recombinant full length GST-tagged human FAK expressed in baculovirus expression system by Z-LYTE assay
50008580	29	ChEMBL_1881337 (CHEMBL4382836)	Inhibition of recombinant GST-tagged human ROS1 cytoplasmic domain expressed in baculovirus expression system by Z-LYTE assay
50008581	1	ChEMBL_1881351 (CHEMBL4382850)	Inhibition of recombinant PDGFRbeta (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	2	ChEMBL_1881360 (CHEMBL4382859)	Inhibition of recombinant ERBB4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	3	ChEMBL_1881341 (CHEMBL4382840)	Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	4	ChEMBL_1881340 (CHEMBL4382839)	Inhibition of recombinant FGFR1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	5	ChEMBL_1881347 (CHEMBL4382846)	Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	6	ChEMBL_1881350 (CHEMBL4382849)	Inhibition of recombinant PDGFRalpha (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	7	ChEMBL_1881352 (CHEMBL4382851)	Inhibition of recombinant ALK (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	8	ChEMBL_1881353 (CHEMBL4382852)	Inhibition of recombinant FLT1 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	9	ChEMBL_1881355 (CHEMBL4382854)	Inhibition of recombinant ERBB2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	10	ChEMBL_1881356 (CHEMBL4382855)	Inhibition of recombinant c-MET (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	11	ChEMBL_1881359 (CHEMBL4382858)	Inhibition of recombinant EPHA2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	12	ChEMBL_1881361 (CHEMBL4382860)	Inhibition of recombinant IGF1R (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	13	ChEMBL_1881362 (CHEMBL4382861)	Inhibition of recombinant BTK (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	14	ChEMBL_1881348 (CHEMBL4382847)	Inhibition of recombinant FGFR3 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	15	ChEMBL_1881354 (CHEMBL4382853)	Inhibition of recombinant c-SRC (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	16	ChEMBL_1881357 (CHEMBL4382856)	Inhibition of recombinant ABL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	17	ChEMBL_1881386 (CHEMBL4382885)	Inhibition of FGFR4 (unknown origin)
50008581	18	ChEMBL_1881349 (CHEMBL4382848)	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008581	19	ChEMBL_1881358 (CHEMBL4382857)	Inhibition of recombinant EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA
50008584	1	ChEMBL_1881394 (CHEMBL4382893)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK cell membranes after 1 hr by liquid scintillation counting
50008584	2	ChEMBL_1881390 (CHEMBL4382889)	Induction of ATAD2 bromodomain (unknown origin) dimerization
50008584	3	ChEMBL_1881393 (CHEMBL4382892)	Inhibition of stonin-2 binding to Eps15 (unknown origin)
50008584	4	ChEMBL_1881388 (CHEMBL4382887)	Inhibition of N-terminal His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotin-labeled peptide substrate addition and measured after 1 hr by Alpha screen assay
50008584	5	ChEMBL_1881389 (CHEMBL4382888)	Binding affinity to human plasma kallikrein
50008584	6	ChEMBL_1881392 (CHEMBL4382891)	Agonist activity at PTH1 receptor (unknown origin) assessed as induction of cAMP
50008585	1	ChEMBL_1881404 (CHEMBL4382903)	Inhibition of recombinant human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by SYBR-GOLD staining based fluorimetric analysis
50008585	2	ChEMBL_1881401 (CHEMBL4382900)	Poison activity at recombinant human topoisomerase 2beta using pBR322 plasmid as substrate after 30 mins by ethidium bromide staining based agarose gel electrophoresis
50008586	1	ChEMBL_1881413 (CHEMBL4382912)	Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting
50008586	2	ChEMBL_1881407 (CHEMBL4382906)	Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting
50008586	3	ChEMBL_1881406 (CHEMBL4382905)	Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting
50008588	1	ChEMBL_1881470 (CHEMBL4382969)	Binding affinity to human BRD4 BD1 (44 to 168 residues) by fluorescence polarization assay
50008588	2	ChEMBL_1881475 (CHEMBL4382974)	Binding affinity to human BRD4 BD2 (333 to 460 residues) by fluorescence polarization assay
50008588	3	ChEMBL_1881471 (CHEMBL4382970)	Binding affinity to human BRD2 BD1 (72 to 205 residues) by fluorescence polarization assay
50008588	4	ChEMBL_1881472 (CHEMBL4382971)	Binding affinity to human BRD2 BD2 (349 to 460 residues) by fluorescence polarization assay
50008588	5	ChEMBL_1881474 (CHEMBL4382973)	Binding affinity to human BRD3 BD2 (306 to 417 residues) by fluorescence polarization assay
50008588	6	ChEMBL_1881473 (CHEMBL4382972)	Binding affinity to human BRD3 BD1 (24 to 144 residues) by fluorescence polarization assay
50008589	1	ChEMBL_1881576 (CHEMBL4383075)	Inhibition of human ERG at 37 degC
50008590	1	ChEMBL_1881663 (CHEMBL4383162)	Binding affinity to Pseudomonas aeruginosa PAO1 NB52019 LpxC after 60 to 420 secs by SPR method
50008592	1	ChEMBL_1881812 (CHEMBL4383311)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor after 60 mins by scintillation counting analysis
50008592	2	ChEMBL_1881822 (CHEMBL4383321)	Inhibition of human recombinant full-length LDHA using sodium pyruvate as substrate after 60 mins by resazurin dye-based assay
50008592	3	ChEMBL_1881793 (CHEMBL4383292)	Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by substrate addition and measured after 20 mins by Biomol Green reagent assay
50008592	4	ChEMBL_1881814 (CHEMBL4383313)	Inhibition of human recombinant Arg1 using L-arginine as substrate after 5 mins in presence of [guanidino-14C]-L-arginine by liquid scintillation counting analysis
50008592	5	ChEMBL_1881816 (CHEMBL4383315)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenyl acetate as substrate after 20 mins by spectrophotometric analysis
50008592	6	ChEMBL_1881819 (CHEMBL4383318)	Displacement of [3H]muscimol from recombinant human GABAalpha1beta2gamma2 measured after 120 mins by scintillation counting method
50008592	7	ChEMBL_1881821 (CHEMBL4383320)	Inhibition of human recombinant Lck using Ulight-Poly GAT[EAY(1:1:1)]n as substrate after 10 mins by LANCE analysis
50008592	8	ChEMBL_1881824 (CHEMBL4383323)	Inhibition of human MAGL
50008592	9	ChEMBL_1881825 (CHEMBL4383324)	Inhibition of human MAOA using kynuramine as substrate after 20 mins by spectrophotometric analysis
50008592	10	ChEMBL_1881826 (CHEMBL4383325)	Inhibition of human recombinant PDE3A using [3H]cAMP after 20 mins by scintillation counting analysis
50008592	11	ChEMBL_1881829 (CHEMBL4383328)	Displacement of [3H]-Dofetilide from recombinant human ERG after 60 mins by scintillation counting analysis
50008592	12	ChEMBL_1881830 (CHEMBL4383329)	Displacement of [3H]WY 14643 from human recombinant PPARalpha receptor at 10 uM after 120 mins by scintillation counting analysis relative to control
50008592	13	ChEMBL_1881792 (CHEMBL4383291)	Inhibition of Enterococcus faecalis Ddl
50008592	14	ChEMBL_1881811 (CHEMBL4383310)	Inhibition of human recombinant ACE using Abz-FRK(Dnp)-P-OH as substrate after 30 mins by fluorimetric analysis
50008592	15	ChEMBL_1881820 (CHEMBL4383319)	Inhibition of human IDO using L-tryptophan as substrate after 30 mins by Ehrlich's reagent based assay
50008592	16	ChEMBL_1881813 (CHEMBL4383312)	Inhibition of human recombinant acetylcholinesterase using acetylthiocholine as substrate after 30 mins by spectrophotometric analysis
50008592	17	ChEMBL_1881818 (CHEMBL4383317)	Inhibition of human recombinant COX1 using arachidonic acid as substrate after 3 mins by fluorimetric analysis
50008592	18	ChEMBL_1881823 (CHEMBL4383322)	Displacement of [125I]pirenzepine from human recombinant M1 receptor after 60 mins by scintillation counting analysis
50008592	19	ChEMBL_1881828 (CHEMBL4383327)	Inhibition of human sPLA2
50008592	20	ChEMBL_1881831 (CHEMBL4383330)	Inhibition of human thrombin using Z-GPR-AMC as substrate after 30 mins by fluorimetric analysis
50008592	21	ChEMBL_1881817 (CHEMBL4383316)	Displacement of [3H]CP 55940 from human recombinant CB1 receptor after 120 mins by scintillation counting analysis
50008592	22	ChEMBL_1881827 (CHEMBL4383326)	Inhibition of human recombinant C-terminal His-tagged PHGDH (1 to 533 residues) expressed in Escherichia coli using 3-phosphoglycerate as substrate
50008594	1	ChEMBL_1881879 (CHEMBL4383378)	Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condition by microbeta counting analysis
50008594	2	ChEMBL_1881898 (CHEMBL4383397)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes by voltage clamp electrophysiological method
50008594	3	ChEMBL_1881900 (CHEMBL4383399)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at holding potential of -90 mV by patch clamp electrophysiological method
50008594	4	ChEMBL_1881882 (CHEMBL4383381)	Partial agonist activity at human alpha7 nAChR at -60 mV holding potential incubated for 1 sec followed by 60 secs compound washout
50008594	5	ChEMBL_1881899 (CHEMBL4383398)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes incubated for 90 secs followed by washout period for 5 mins by electrophysiological method
50008595	1	ChEMBL_1881954 (CHEMBL4383453)	Inhibition of BCR/ABL T315I mutant (unknown origin) expressed in mouse BAF3 cells assessed as inhibition of STAT5 phosphorylation after 1 hr by immunoblotting analysis
50008595	2	ChEMBL_1882010 (CHEMBL4383509)	Inhibition of inactive wild type His-tagged ABL (229 to 500 residues) (unknown origin) expressed in baculovirus infected sf9 cells assessed as reduction in autophosphorylation preincubated for 60 mins followed by ATP addition measured after 8 hrs by ADP-Glo assay
50008595	3	ChEMBL_1882013 (CHEMBL4383512)	Inhibition of active wild type His-tagged ABL T315I mutant (229 to 500 residues) (unknown origin) expressed in baculovirus infected sf9 cells using ABLtide as substrate after 1 hr by ADP-Glo assay
50008595	4	ChEMBL_1882011 (CHEMBL4383510)	Inhibition of active wild type His-tagged ABL (229 to 500 residues) (unknown origin) expressed in baculovirus infected sf9 cells using ABLtide as substrate after 1 hr by ADP-Glo assay
50008595	5	ChEMBL_1882012 (CHEMBL4383511)	Inhibition of inactive wild type His-tagged ABL T315I mutant (229 to 500 residues) (unknown origin) expressed in baculovirus infected sf9 cells assessed as reduction in autophosphorylation preincubated for 60 mins followed by ATP addition measured after 8 hrs by ADP-Glo assay
50008595	6	ChEMBL_1881941 (CHEMBL4383440)	Inhibition of BCR/ABL in human K562 cells assessed as inhibition of BCR/ABL autophosphorylation at Y245 site after 1 hr by immunoblotting analysis
50008595	7	ChEMBL_1881943 (CHEMBL4383442)	Inhibition of BCR/ABL in human KU812 cells assessed as inhibition of BCR/ABL autophosphorylation at Y245 site after 1 hr by immunoblotting analysis
50008595	8	ChEMBL_1881953 (CHEMBL4383452)	Inhibition of BCR/ABL T315I mutant (unknown origin) expressed in mouse BAF3 cells assessed as inhibition of BCR/ABL T315I mutant autophosphorylation at Y245 site after 1 hr by immunoblotting analysis
50008595	9	ChEMBL_1881956 (CHEMBL4383455)	Inhibition of BCR/ABL T315I mutant (unknown origin) expressed in mouse BAF3 cells assessed as inhibition of ErK phosphorylation after 1 hr by immunoblotting analysis
50008595	10	ChEMBL_1881942 (CHEMBL4383441)	Inhibition of BCR/ABL in human MEG01 cells assessed as inhibition of BCR/ABL autophosphorylation at Y245 site after 1 hr by immunoblotting analysis
50008595	11	ChEMBL_1881955 (CHEMBL4383454)	Inhibition of BCR/ABL T315I mutant (unknown origin) expressed in mouse BAF3 cells assessed as inhibition of CrkL phosphorylation after 1 hr by immunoblotting analysis
50008600	1	ChEMBL_1882020 (CHEMBL4383519)	Inhibition of TDO (unknown origin) expressed in HEK293 cells using L-Trp as substrate after 8 hrs
50008600	2	ChEMBL_1882022 (CHEMBL4383521)	Inhibition of recombinant human TDO expressed in Escherichia coli using L-Trp as substrate after 10 to 60 mins
50008600	3	ChEMBL_1882016 (CHEMBL4383515)	Inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins
50008600	4	ChEMBL_1882018 (CHEMBL4383517)	Mixed type uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins by Dixon plot analysis
50008600	5	ChEMBL_1882019 (CHEMBL4383518)	Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs
50008600	6	ChEMBL_1882017 (CHEMBL4383516)	Uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins by Dixon plot analysis
50008600	7	ChEMBL_1882024 (CHEMBL4383523)	Inhibition of TDO (unknown origin)
50008600	8	ChEMBL_1882025 (CHEMBL4383524)	Inhibition of IDO1 (unknown origin)
50008600	9	ChEMBL_1882021 (CHEMBL4383520)	Inhibition of IDO1 (unknown origin) using L-Trp as substrate
50008601	1	ChEMBL_1882034 (CHEMBL4383533)	Inhibition of Myc-Max (unknown origin) expressed in human LNCAP cells assessed as reduction in transcriptional activity after 1 day by luciferase reporter gene assay
50008603	1	ChEMBL_1882090 (CHEMBL4383589)	Inhibition of CYP2D6 in human liver microsomes after 20 mins by LC-MS/MS analysis
50008603	2	ChEMBL_1882091 (CHEMBL4383590)	Inhibition of CYP2C19 in human liver microsomes after 20 mins by LC-MS/MS analysis
50008603	3	ChEMBL_1882096 (CHEMBL4383595)	Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp assay
50008603	4	ChEMBL_1882088 (CHEMBL4383587)	Inhibition of CYP1A2 in human liver microsomes after 20 mins by LC-MS/MS analysis
50008603	5	ChEMBL_1882087 (CHEMBL4383586)	Inhibition of CYP3A4 in human liver microsomes after 20 mins by LC-MS/MS analysis
50008603	6	ChEMBL_1882089 (CHEMBL4383588)	Inhibition of CYP2C9 in human liver microsomes after 20 mins by LC-MS/MS analysis
50008605	1	ChEMBL_1882113 (CHEMBL4383612)	Inhibition of HIV1 protease using fluorogenic substrate by continuous fluorometric assay
50008607	1	ChEMBL_1882118 (CHEMBL4383617)	Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based HPLC analysis
50008607	2	ChEMBL_1882117 (CHEMBL4383616)	Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 5 mins by fluorescence-based HPLC analysis
50008607	3	ChEMBL_1882122 (CHEMBL4383621)	Inhibition of FAAH in rat liver S9 fraction using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate preincubated for 45 mins in absence of NADPH followed by substrate addition and measured after 60 mins by fluorescence-based HPLC analysis
50008607	4	ChEMBL_1882121 (CHEMBL4383620)	Inhibition of FAAH in rat liver S9 fraction using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate after 60 mins by fluorescence-based HPLC analysis
50008607	5	ChEMBL_1882123 (CHEMBL4383622)	Inhibition of FAAH in rat liver S9 fraction using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate preincubated for 15 mins followed by NADPH addition and subsequent substrate addition at 30 mins post NADPH addition and measured after 60 mins by fluorescence-based HPLC analysis
50008608	1	ChEMBL_1882156 (CHEMBL4383655)	Inhibition of human Top1B expressed in Top1B deficient Saccharomyces cerevisiae EKY3 assessed as decrease in relaxation of supercoiled pSK DNA preincubated for 15 mins followed by DNA addition and measured after 5 mins by agarose gel electrophoresis
50008609	1	ChEMBL_1882211 (CHEMBL4383710)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring reduction in IFNgamma secretion pretreated for 30 mins followed by LPS stimulation for 24 hrs by electrochemiluminescence assay
50008609	2	ChEMBL_1882212 (CHEMBL4383711)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring reduction in IL-12p70 secretion pretreated for 30 mins followed by LPS stimulation for 24 hrs by electrochemiluminescence assay
50008609	3	ChEMBL_1882213 (CHEMBL4383712)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring reduction in TNFalpha secretion pretreated for 30 mins followed by LPS stimulation for 24 hrs by electrochemiluminescence assay
50008609	4	ChEMBL_1882214 (CHEMBL4383713)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring reduction in IL-1beta secretion pretreated for 30 mins followed by LPS stimulation for 24 hrs by electrochemiluminescence assay
50008609	5	ChEMBL_1882210 (CHEMBL4383709)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation pretreated for 30 mins followed by LPS stimulation for 24 hrs by luciferase reporter gene assay
50008609	6	ChEMBL_1882215 (CHEMBL4383714)	Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as inhibition of LPS-induced NFkB signalling activation by measuring reduction in IL-6 secretion pretreated for 30 mins followed by LPS stimulation for 24 hrs by electrochemiluminescence assay
50008612	1	ChEMBL_1882260 (CHEMBL4383759)	Inhibition of recombinant human GST-tagged EGFR L858R mutant expressed in baculovirus expression system by fluorescence assay
50008612	2	ChEMBL_1882259 (CHEMBL4383758)	Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant (696-end residues) by fluorescence assay
50008612	3	ChEMBL_1882261 (CHEMBL4383760)	Inhibition of recombinant human N-terminal GST-tagged EGFR (696-end residues) expressed in baculovirus expression system using Srctide as substrate by fluorescence assay
50008615	1	ChEMBL_1882328 (CHEMBL4383827)	Inhibition of VEGFR2 (unknown origin) using poly[Glu:Tyr] (4:1) as substrate measured after 5 mins by Alphascreen assay
50008615	2	ChEMBL_1882314 (CHEMBL4383813)	Inhibition of recombinant human carbonic anhydrase 2 by stopped flow CO2 hydration assay
50008615	3	ChEMBL_1882315 (CHEMBL4383814)	Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydration assay
50008615	4	ChEMBL_1882316 (CHEMBL4383815)	Inhibition of recombinant human carbonic anhydrase 12 by stopped flow CO2 hydration assay
50008615	5	ChEMBL_1882313 (CHEMBL4383812)	Inhibition of recombinant human carbonic anhydrase 1 by stopped flow CO2 hydration assay
50008615	6	ChEMBL_1882329 (CHEMBL4383828)	Inhibition of carbonic anhydrase 9 (unknown origin)
50008616	1	ChEMBL_1882337 (CHEMBL4383836)	Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins [gamma-33P]-ATP by filtration method
50008616	2	ChEMBL_1882331 (CHEMBL4383830)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration method
50008616	3	ChEMBL_1882335 (CHEMBL4383834)	Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 1 uM [gamma-33P]-ATP by filtration method
50008616	4	ChEMBL_1882336 (CHEMBL4383835)	Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 100 uM [gamma-33P]-ATP by filtration method
50008616	5	ChEMBL_1882339 (CHEMBL4383838)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 100 uM [gamma-33P]-ATP by filtration method
50008616	6	ChEMBL_1882359 (CHEMBL4383858)	Inhibition of red tracer binding to human ERG expressed in membranes preincubated for 10 to 15 mins followed by tracer addition measured after 3 hrs by fluorescence polarization assay
50008616	7	ChEMBL_1882333 (CHEMBL4383832)	Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration method
50008616	8	ChEMBL_1882340 (CHEMBL4383839)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of [gamma-33P]-ATP by filtration method
50008616	9	ChEMBL_1882345 (CHEMBL4383844)	Inhibition of DAPK1 in HEK293 tau-BiFC cells assessed as reduction in forskolin-induced tau aggregation after 48 hrs by Hoechst staining based HCS analysis
50008616	10	ChEMBL_1882338 (CHEMBL4383837)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 1 uM [gamma-33P]-ATP by filtration method
50008617	1	ChEMBL_1882362 (CHEMBL4383861)	Agonist activity at human VDR expressed in HOS cells co-expressing human RXR by Dual-Glo luciferase reporter gene assay
50008618	1	ChEMBL_1882372 (CHEMBL4383871)	Inhibition of human factor Xa using S-2222 as substrate preincubated for 30 mins followed by substrate addition and measured for 20 mins
50008618	2	ChEMBL_1882373 (CHEMBL4383872)	Inhibition of human recombinant thrombin expressed in HEK293 cells using S-2238 as substrate preincubated for 30 mins followed by substrate addition and measured for 20 mins
50008618	3	ChEMBL_1882366 (CHEMBL4383865)	Inhibition of human trypsin preincubated for 30 mins followed by substrate addition and measured for 20 mins
50008618	4	ChEMBL_1882374 (CHEMBL4383873)	Inhibition of human factor 7a preincubated for 30 mins followed by substrate addition and measured for 20 mins
50008618	5	ChEMBL_1882365 (CHEMBL4383864)	Inhibition of human factor 9a preincubated for 30 mins followed by substrate addition and measured for 20 mins
50008620	1	ChEMBL_1882396 (CHEMBL4383895)	Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins followed by substrate addition measured at 15 mins interval for 3 hrs by fluorescence assay
50008620	2	ChEMBL_1882395 (CHEMBL4383894)	Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins interval for 3 hrs by fluorescence assay
50008620	3	ChEMBL_1882397 (CHEMBL4383896)	Inhibition of rat FAAH using AAMCA as substrate by fluorescence assay
50008623	1	ChEMBL_1882415 (CHEMBL4383914)	Inhibition of mushroom tyrosinase
50008623	2	ChEMBL_1882417 (CHEMBL4383916)	Inhibition of tyrosinase in mouse B16-F1 cells
50008624	1	ChEMBL_1882438 (CHEMBL4383937)	Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintillation counting method
50008625	1	ChEMBL_1882457 (CHEMBL4383956)	Inhibition of human recombinant full length ProLabel-tagged PCSK9 expressed in CHO-K1 cells incubated overnight and measured after 3 days by chemiluminescence assay
50008625	2	ChEMBL_1882465 (CHEMBL4383964)	Binding affinity to PCSK9 (unknown origin) by SPR assay
50008625	3	ChEMBL_1882464 (CHEMBL4383963)	Inhibition of PCSK9 in human HepG2 cells assessed as increase in LDL uptake after 24 hrs by fluorescence assay
50008625	4	ChEMBL_1882460 (CHEMBL4383959)	Inhibition of human recombinant full length ProLabel-tagged PCSK9 expressed in CHO-K1 cells incubated overnight and measured after 3 days by HTS assay
50008625	5	ChEMBL_1882462 (CHEMBL4383961)	Inhibition of PCSK9 in human HepG2 cells assessed as increase in LDLR levels
50008625	6	ChEMBL_1882474 (CHEMBL4383973)	Binding affinity to human recombinant PCSK9 by backscatter interferometry
50008625	7	ChEMBL_1882463 (CHEMBL4383962)	Inhibition of wild type His-tagged PCSK9 (unknown origin) binding to recombinant LDLR-AB domain (unknown origin) after 2 hrs by fluorescence assay
50008625	8	ChEMBL_1882472 (CHEMBL4383971)	Inhibition of His-tagged PCSK9 (unknown origin) binding to recombinant LDLR-AB domain (unknown origin) by ELISA
50008625	9	ChEMBL_1882458 (CHEMBL4383957)	Inhibition of human recombinant PCSK9 expressed in CHO-K1 cells assessed as alkaline phosphatase secretion incubated overnight and measured after 3 days by HTS assay
50008626	1	ChEMBL_1882479 (CHEMBL4383978)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 5 mins by spectrophotometric method
50008626	2	ChEMBL_1882478 (CHEMBL4383977)	Inhibition of full length Mycobacterium tuberculosis His6-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after 5 mins by spectrophotometric method
50008626	3	ChEMBL_1882482 (CHEMBL4383981)	Inhibition of Mycobacterium tuberculosis H37Rv N-terminal His6-tagged Pks13 thioesterase domain expressed in Escherichia coli BL21(DE3) using 4-MUH as substrate measured at 10 mins interval over 110 mins by fluorescence assay
50008626	4	ChEMBL_1882480 (CHEMBL4383979)	Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 5 mins by spectrophotometric method
50008627	1	ChEMBL_1882681 (CHEMBL4384180)	Inhibition of human TOPK using MBP as substrate after 2 hrs in presence of [gamma-33P]-ATP by filter-binding method
50008630	1	ChEMBL_1882721 (CHEMBL4384220)	Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction
50008630	2	ChEMBL_1882722 (CHEMBL4384221)	Inhibition of PAC1/PAC2 heterodimer (unknown origin) protein-protein interaction
50008631	1	ChEMBL_1882771 (CHEMBL4384270)	Inhibition of human recombinant FTase using [3H]FPP as substrate after 15 mins by scintillation counting analysis
50008631	2	ChEMBL_1882779 (CHEMBL4384278)	Inhibition of Aspergillus oryzae beta-galactosidase
50008631	3	ChEMBL_1882780 (CHEMBL4384279)	Inhibition of beta-galactosidase (unknown origin)
50008631	4	ChEMBL_1882786 (CHEMBL4384285)	Inhibition of SIRT2 (unknown origin) using fluorogenic deacetylase substrate by fluorescence assay
50008631	5	ChEMBL_1882770 (CHEMBL4384269)	Inhibition of PKBalpha (unknown origin) expressed in Sf9 insect cells using Biotin-SGRARTSSFAEPG as substrate after 30 mins by ELISA
50008631	6	ChEMBL_1882785 (CHEMBL4384284)	Inhibition of green coffee bean alpha-galactosidase
50008632	1	ChEMBL_1882810 (CHEMBL4384309)	Inhibition of human amyloid beta (1 to 42) self-induced aggregation after 24 hrs by Thioflavin T based fluorometric assay
50008632	2	ChEMBL_1882798 (CHEMBL4384297)	Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method
50008632	3	ChEMBL_1882799 (CHEMBL4384298)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50008632	4	ChEMBL_1882797 (CHEMBL4384296)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50008632	5	ChEMBL_1882801 (CHEMBL4384300)	Inhibition of rat AChE
50008632	6	ChEMBL_1882796 (CHEMBL4384295)	Inhibition of acetylcholinesterase (unknown origin)
50008633	1	ChEMBL_1882835 (CHEMBL4384334)	Activation of VDR in mouse ASZ001 cells assessed as change in Cyp24A1 mRNA expression after 48 hrs by q-PCR analysis
50008637	1	ChEMBL_1882882 (CHEMBL4384381)	Inhibition of human N-terminal GST-tagged EGFR T790M/L858R double mutant (695 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate after 60 mins in presence of ATP by ADP-Glo assay
50008637	2	ChEMBL_1882883 (CHEMBL4384382)	Inhibition of wild-type human N-terminal GST-tagged EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate after 60 mins in presence of ATP by ADP-Glo assay
50008642	1	ChEMBL_1882927 (CHEMBL4384426)	Inhibition of wild type EGFR autophosphorylation in human A549 cells by Western blot analysis
50008642	2	ChEMBL_1882933 (CHEMBL4384432)	Inhibition of recombinant human wild type GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system after 1 hr by kinase tracer 199 based TR-FRET assay
50008643	1	ChEMBL_1882975 (CHEMBL4384474)	Inhibition of pig brain tubulin polymerization by spectrophotometric analysis
50008647	1	ChEMBL_1883015 (CHEMBL4384514)	Binding affinity to recombinant N-terminal His-tagged STAT3 (unknown origin) expressed in baculovirus infected Sf9 insect cells by SPR analysis
50008650	1	ChEMBL_1883018 (CHEMBL4384517)	Inhibition of human AC1 expressed in HEK293 cells assessed as decrease in A23187-stimulated cAMP accumulation preincubated for 30 mins followed by A23187 stimulation and measured after 1 hr by fluorescence assay
50008650	2	ChEMBL_1883019 (CHEMBL4384518)	Inhibition of human AC8 expressed in HEK293 cells assessed as decrease in A23187-stimulated cAMP accumulation preincubated for 30 mins followed by A23187 stimulation and measured after 1 hr by fluorescence assay
50008650	3	ChEMBL_1883017 (CHEMBL4384516)	Inhibition of AC1 (unknown origin) expressed in HEK cells assessed as decrease in A23187-stimulated cAMP accumulation preincubated for 30 mins followed by A23187 stimulation and measured after 1 hr
50008650	4	ChEMBL_1883016 (CHEMBL4384515)	Inhibition of AC1 (unknown origin) expressed in HEK293 cells assessed as decrease in Ca2+/calmodulin-mediated cAMP accumulation by enzyme immunoassay
50008651	1	ChEMBL_1883041 (CHEMBL4384540)	Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence assay
50008651	2	ChEMBL_1883044 (CHEMBL4384543)	Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence assay
50008651	3	ChEMBL_1883037 (CHEMBL4384536)	Inhibition of bovine brain tubulin polymerization measured every 30 secs for 30 mins by turbidimetric assay
50008651	4	ChEMBL_1883040 (CHEMBL4384539)	Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence assay
50008651	5	ChEMBL_1883042 (CHEMBL4384541)	Inhibition of human HDAC3 using RHKKAc as substrate by fluorescence assay
50008651	6	ChEMBL_1883046 (CHEMBL4384545)	Inhibition of human HDAC8 using RHKAcKAc as substrate by fluorescence assay
50008651	7	ChEMBL_1883048 (CHEMBL4384547)	Inhibition of human HDAC10 using RHKKAc as substrate by fluorescence assay
50008652	1	ChEMBL_1883059 (CHEMBL4384558)	Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis
50008652	2	ChEMBL_1883062 (CHEMBL4384561)	Antagonist activity at human DEF3-RLuc fused CXCR4 receptor expressed in HEK293T cells co-expressing DEF3-Beta-arrestin-2-mVenus assessed as inhibition of CXCL12-induced beta-arrestin2 recruitment preincubated for 60 mins followed by CXCL12 addition measured after 20 mins by BRET assay
50008652	3	ChEMBL_1883064 (CHEMBL4384563)	Antagonist activity at human DEF3-fused CXCR4 receptor expressed in HEK293T cells co-expressing DAN1-HA-Galphaq/i5 assessed as inhibition of CXCL12-induced IP3 accumulation after 90 mins in presence of [3H]-myo-inositol by scintillation counting analysis
50008652	4	ChEMBL_1883067 (CHEMBL4384566)	Displacement of CXCL12-red from human NLuc-tagged CXCR4 receptor expressed in HEK293T cell membranes after 2 hrs by NanoBRET assay
50008653	1	ChEMBL_1883206 (CHEMBL4384705)	Inhibition of human ERG expressed in CHO-K1 cells by Patch clamp assay
50008654	1	ChEMBL_1883270 (CHEMBL4384769)	Antagonist activity at human TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 mins followed by agonist addition by Fluo-4-AM dye-based FLIPR assay
50008654	2	ChEMBL_1883268 (CHEMBL4384767)	Antagonist activity at human TRPV4 expressed in HEK cells assessed as inhibition of GSK634775-induced Ca2+ influx by FLIPR assay
50008654	3	ChEMBL_1883235 (CHEMBL4384734)	Antagonist activity at human TRPV4 expressed in HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 mins followed by agonist addition by Fluo-4-AM dye-based FLIPR assay
50008654	4	ChEMBL_1883244 (CHEMBL4384743)	Antagonist activity at TRPM8 (unknown origin)
50008654	5	ChEMBL_1883264 (CHEMBL4384763)	Reversible inhibition of CYP3A4 (unknown origin) in presence of NADPH by vivid red substrate-based assay
50008654	6	ChEMBL_1883269 (CHEMBL4384768)	Antagonist activity at TRPV4 (unknown origin)
50008654	7	ChEMBL_1883242 (CHEMBL4384741)	Antagonist activity at TRPV1 (unknown origin)
50008654	8	ChEMBL_1883246 (CHEMBL4384745)	Inhibition of CYP450 (unknown origin)
50008654	9	ChEMBL_1883247 (CHEMBL4384746)	Inhibition of Cav1.2 (unknown origin) expressed in HEK cells by patch clamp assay
50008654	10	ChEMBL_1883248 (CHEMBL4384747)	Inhibition of human ERG expressed in CHO cells by Qpatch assay
50008654	11	ChEMBL_1883251 (CHEMBL4384750)	Antagonist activity at rat TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 mins followed by agonist addition by Fluo-4-AM dye-based FLIPR assay
50008654	12	ChEMBL_1883241 (CHEMBL4384740)	Antagonist activity at TRPA1 (unknown origin)
50008654	13	ChEMBL_1883243 (CHEMBL4384742)	Antagonist activity at TRPM2 (unknown origin)
50008654	14	ChEMBL_1883245 (CHEMBL4384744)	Antagonist activity at TRPC3/TRPC6 (unknown origin)
50008655	1	ChEMBL_1883431 (CHEMBL4384930)	Antagonist activity at human TRPM8 channel expressed in HEK293 cells assessed as inhibition of icilin-induced calcium flux by Fluo-4-AM dye based fluorescence assay
50008655	2	ChEMBL_1883430 (CHEMBL4384929)	Antagonist activity at human TRPV4 channel expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced calcium flux by Fluo-4-AM dye based fluorescence assay
50008655	3	ChEMBL_1883429 (CHEMBL4384928)	Antagonist activity at human TRPV1 channel expressed in human BEAS2B cells assessed as inhibition of capsaicin-induced calcium flux by Fluo-4-AM dye based fluorescence assay
50008656	1	ChEMBL_1883511 (CHEMBL4385010)	Binding affinity to Influenza A virus RNA polymerase PB2 by SPR assay
50008658	1	ChEMBL_1883538 (CHEMBL4385037)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay
50008658	2	ChEMBL_1883540 (CHEMBL4385039)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by Cheng-Prusoff equation analysis
50008658	3	ChEMBL_1883535 (CHEMBL4385034)	Inhibition of Sprague-Dawley rat liver MAO-A using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay
50008658	4	ChEMBL_1883536 (CHEMBL4385035)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay
50008658	5	ChEMBL_1883537 (CHEMBL4385036)	Inhibition of Sprague-Dawley rat liver MAO-B using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay
50008658	6	ChEMBL_1883543 (CHEMBL4385042)	Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells at 0.5 to 10 nM using p-tyramine as substrate by double reciprocal Lineweaver-Burk plot analysis
50008660	1	ChEMBL_1883558 (CHEMBL4385057)	Inhibition of AP-1 (unknown origin) expressed in mouse JB6 Cl41 cells after 24 hrs by luciferase reporter gene assay
50008661	1	ChEMBL_1883621 (CHEMBL4385120)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF method
50008661	2	ChEMBL_1883620 (CHEMBL4385119)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF method
50008661	3	ChEMBL_1883619 (CHEMBL4385118)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF method
50008661	4	ChEMBL_1883618 (CHEMBL4385117)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF method
50008661	5	ChEMBL_1883625 (CHEMBL4385124)	Inhibition of human ERG expressed in CHO cells after 75 mins by fluorescence polarization assay
50008661	6	ChEMBL_1883631 (CHEMBL4385130)	Inhibition of EGFR (unknown origin)
50008661	7	ChEMBL_1883633 (CHEMBL4385132)	Inhibition of BTK (unknown origin)
50008661	8	ChEMBL_1883635 (CHEMBL4385134)	Inhibition of p38alpha (unknown origin)
50008661	9	ChEMBL_1883637 (CHEMBL4385136)	Inhibition of IKK2 (unknown origin)
50008661	10	ChEMBL_1883638 (CHEMBL4385137)	Inhibition of JAK2 (unknown origin)
50008661	11	ChEMBL_1883639 (CHEMBL4385138)	Inhibition of SYK (unknown origin)
50008661	12	ChEMBL_1883644 (CHEMBL4385143)	Inhibition of IKK1 (unknown origin)
50008661	13	ChEMBL_1883645 (CHEMBL4385144)	Inhibition of ASK1 (unknown origin)
50008661	14	ChEMBL_1883636 (CHEMBL4385135)	Inhibition of Aurora B (unknown origin)
50008661	15	ChEMBL_1883641 (CHEMBL4385140)	Inhibition of JNK3 (unknown origin)
50008661	16	ChEMBL_1883640 (CHEMBL4385139)	Inhibition of JAK3 (unknown origin)
50008661	17	ChEMBL_1883642 (CHEMBL4385141)	Inhibition of GSK3B (unknown origin)
50008661	18	ChEMBL_1883643 (CHEMBL4385142)	Inhibition of LCK (unknown origin)
50008661	19	ChEMBL_1883634 (CHEMBL4385133)	Inhibition of ROCK1 (unknown origin)
50008661	20	ChEMBL_1883632 (CHEMBL4385131)	Inhibition of ITK (unknown origin)
50008661	21	ChEMBL_1883646 (CHEMBL4385145)	Inhibition of LRRK2 (unknown origin)
50008662	1	ChEMBL_1883796 (CHEMBL4385295)	Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins in presence of C57BL/6 mouse plasma by fluorescence assay
50008662	2	ChEMBL_1883780 (CHEMBL4385279)	Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins in presence of human serum by fluorescence assay
50008662	3	ChEMBL_1883778 (CHEMBL4385277)	Inhibition of recombinant human LPL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay
50008662	4	ChEMBL_1883777 (CHEMBL4385276)	Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay
50008662	5	ChEMBL_1883776 (CHEMBL4385275)	Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay
50008662	6	ChEMBL_1883779 (CHEMBL4385278)	Inhibition of recombinant human PL expressed in HEK293F cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay
50008662	7	ChEMBL_1883774 (CHEMBL4385273)	Inhibition of human endothelial lipase using HDL as substrate measured after 4 hrs
50008667	1	ChEMBL_1883815 (CHEMBL4385314)	Displacement of DC271 from CRABP2 (unknown origin) by fluorescence assay
50008673	1	ChEMBL_1883818 (CHEMBL4385317)	Inhibition of recombinant BACE2 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate measured at 30 mins interval for 120 mins during 450 mins incubation period by FRET assay
50008673	2	ChEMBL_1883817 (CHEMBL4385316)	Inhibition of recombinant BACE1 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate measured at 30 mins interval for 120 mins during 450 mins incubation period by FRET assay
50008674	1	ChEMBL_1883819 (CHEMBL4385318)	Inhibition of GDP loaded biotin-labeled KRAS G12C mutant (unknown origin) assessed as reduction in guanine nucleotide exchange preincubated for 4 hrs followed by GST-RAF-RBD addition in presence of GTPgammaS by FRET assay
50008676	1	ChEMBL_1883823 (CHEMBL4385322)	Inhibition of recombinant V5-tagged ASK1 (unknown origin) expressed in HEK293 cells assessed as reduction in ASK1 autophosphorylation at T838 residue after 1 hr by MSD assay
50008676	2	ChEMBL_1883821 (CHEMBL4385320)	Inhibition of full-length human GST-tagged ASK1 expressed in baculovirus expression system using biotinylated STK Substrate 3 preincubated for 10 mins followed by ATP addition and measured after 5 hrs by TR-FRET assay
50008677	1	ChEMBL_1883824 (CHEMBL4385323)	Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as intracellular cAMP accumulation after 30 mins by HTRF assay
50008678	1	ChEMBL_1883825 (CHEMBL4385324)	Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay
50008678	2	ChEMBL_1883827 (CHEMBL4385326)	Agonist activity at rat GPR40 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by Fluo-8 dye based FLIPR assay
50008678	3	ChEMBL_1883826 (CHEMBL4385325)	Agonist activity at human GPR40 expressed in CHOK1 cells assessed as induction of Galphaq-mediated IP1 accumulation after 90 mins HTRF assay
50008678	4	ChEMBL_1883833 (CHEMBL4385332)	Agonist activity at GPR40 in human islets assessed as induction of glucose-stimulated insulin secretion after 1 hr by HTRF assay
50008680	1	ChEMBL_1883874 (CHEMBL4385373)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate measured after 20 mins in presence of [gamma33P]ATP by filter-binding assay
50008680	2	ChEMBL_1883882 (CHEMBL4385381)	Inhibition of human ERG
50008683	1	ChEMBL_1883898 (CHEMBL4385397)	Agonist activity at human KCNQ5 expressed in CHOK1 cells by whole cell patch clamp assay
50008683	2	ChEMBL_1883887 (CHEMBL4385386)	Activation of human homomeric KCNQ4 expressed in CHOK1 cells at -10 mV by whole cell patch clamp assay
50008683	3	ChEMBL_1883897 (CHEMBL4385396)	Agonist activity at human KCNQ4 expressed in CHOK1 cells by whole cell patch clamp assay
50008683	4	ChEMBL_1883899 (CHEMBL4385398)	Agonist activity at rat KCNQ2 expressed in CHOK1 cells by whole cell patch clamp assay
50008685	1	ChEMBL_1883968 (CHEMBL4385467)	Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based assay
50008685	2	ChEMBL_1883967 (CHEMBL4385466)	Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC analysis
50008686	1	ChEMBL_1883976 (CHEMBL4385475)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	2	ChEMBL_1883972 (CHEMBL4385471)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	3	ChEMBL_1883975 (CHEMBL4385474)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	4	ChEMBL_1883974 (CHEMBL4385473)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	5	ChEMBL_1883973 (CHEMBL4385472)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	6	ChEMBL_1883971 (CHEMBL4385470)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008686	7	ChEMBL_1883970 (CHEMBL4385469)	Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay
50008690	1	ChEMBL_1883985 (CHEMBL4385484)	Inhibition of full-length human His-tagged BTK expressed in baculovirus expression system using FAM-Srctide peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET Lanthascreen assay
50008690	2	ChEMBL_1883993 (CHEMBL4385492)	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human B cells assessed as reduction in cell proliferation pretreated for 30 mins followed by goat anti-human IgM F(ab')2-stimulation and measured after 3 days by [3H]-thymidine incorporation assay
50008690	3	ChEMBL_1883984 (CHEMBL4385483)	Inhibition of full-length human C-terminal His6-tagged BTK C481S mutant expressed in Sf9 insect cells using FAM-Srctide peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET Lanthascreen assay
50008690	4	ChEMBL_1883986 (CHEMBL4385485)	Inhibition of human EGFR cytoplasmic domain expressed in baculovirus expression system using FITC-C6-KKAEEEEYFELVAKK-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET Lanthascreen assay
50008690	5	ChEMBL_1883983 (CHEMBL4385482)	Inhibition of full-length recombinant human C-terminal His-tagged SRC cytoplasmic domain expressed in baculovirus expression system using FAM-Srctide peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET Lanthascreen assay
50008690	6	ChEMBL_1883995 (CHEMBL4385494)	Inhibition of BTK in human whole blood assessed as reduction in anti-human IgE antibody-stimulated histamine release pretreated for 2 hrs followed by anti-human IgE antibody-stimulation and measured after 30 mins by ELISA
50008690	7	ChEMBL_1883994 (CHEMBL4385493)	Inhibition of BTK in anti-CD3/CD28-stimulated human CD4-positive T cells assessed as reduction in cell proliferation pretreated for 30 mins followed by anti-CD3/CD28-stimulation and measured after 3 days by [3H]-thymidine incorporation assay
50008690	8	ChEMBL_1883996 (CHEMBL4385495)	Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of CD69 expression on B cells pretreated for 1 hr followed by goat anti-human IgM F(ab')2-stimualtion and measured after 3 hrs by Fix/Lyse reagent based flow cytometry
50008692	1	ChEMBL_1884001 (CHEMBL4385500)	Displacement of [3H]cGAMP from full length human HAQ STING expressed in Trichopulsia ni membranes preincubated for 30 mins followed by [3H]cGAMP addition and measured after 60 mins by scintillation counting method
50008692	2	ChEMBL_1884007 (CHEMBL4385506)	Antagonist activity at STING in human THP1 cells assessed as inhibition of cGAMP-induced IFNbeta production pretreated for 6 hrs followed by cGAMP addition and measured after overnight incubation by ELISA
50008692	3	ChEMBL_1884008 (CHEMBL4385507)	Agonist activity at STING in human THP1 cells assessed as stimulation of IFNbeta production measured after 5 hrs by Alphalisa assay
50008694	1	ChEMBL_1884049 (CHEMBL4385548)	Inhibition of PI3Kgamma in human THP1 cells assessed as reduction in MCP1-induced Akt phosphorylation at Thr308/Ser473 residue preincubated for 1 hr followed by MCP1 stimulation for 3 mins by FACS analysis
50008694	2	ChEMBL_1884048 (CHEMBL4385547)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]ATP by scintillation counting method
50008697	1	ChEMBL_1884093 (CHEMBL4385675)	Binding affinity to 15N-labeled VEGFR1 domain 2 (unknown origin) at 26 mM by TROSY [1H-15N] spectroscopic analysis
50008697	2	ChEMBL_1884097 (CHEMBL4385679)	Displacement of biotinylated VEGF-A165 from human VEGFR-1 ECD incubated for 1 hr by ELISA
50008698	1	ChEMBL_1884136 (CHEMBL4385718)	Inhibition of His-tagged recombinant human PI3K p110delta/p85alpha using lipid substrate incubated for 2 hrs by ADP-Glo assay
50008698	2	ChEMBL_1884138 (CHEMBL4385720)	Inhibition of His-tagged recombinant human full length PI3K p110alpha/p85alpha expressed in baculovirus expression system using lipid substrate incubated for 60 mins by kinase-Glo reagent based luminescence assay
50008698	3	ChEMBL_1884139 (CHEMBL4385721)	Inhibition of His-tagged recombinant human full length PI3K p110gamma expressed in baculovirus expression system using lipid substrate incubated for 2 hrs by ADP-Glo assay
50008698	4	ChEMBL_1884135 (CHEMBL4385717)	Inhibition of His6-tagged recombinant full length human N-terminal PI3Kbeta expressed in baculovirus infected Sf21 cells using lipid substrate incubated for 2 hrs by ADP-Glo assay
50008700	1	ChEMBL_1884178 (CHEMBL4385760)	Inhibition of tau aggregation (unknown origin)
50008700	2	ChEMBL_1884189 (CHEMBL4385771)	Displacement of [3H]MK-801 from NMDA receptor (unknown origin)
50008700	3	ChEMBL_1884172 (CHEMBL4385754)	Inhibition of BuChE (unknown origin)
50008700	4	ChEMBL_1884177 (CHEMBL4385759)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition by Ellman's method
50008700	5	ChEMBL_1884170 (CHEMBL4385752)	Displacement of [3H]GR113808 from human 5-HT4R membrane in Tris buffer assessed as inhibitory constant measured after 60 mins by filter binding method
50008700	6	ChEMBL_1884179 (CHEMBL4385761)	Inhibition of tau-tau binding (unknown origin) assessed as increase in dissolved paired helical filaments
50008700	7	ChEMBL_1884180 (CHEMBL4385762)	Inhibition of tau aggregation (unknown origin) assessed as inhibitory constant
50008700	8	ChEMBL_1884185 (CHEMBL4385767)	Inhibition of human BuChE
50008700	9	ChEMBL_1884188 (CHEMBL4385770)	Inhibition of BChE (unknown origin)
50008700	10	ChEMBL_1884182 (CHEMBL4385764)	Inhibition of human recombinant BACE-1 using 19F peptide as substrate measured after 5 hrs by fluorescence method
50008700	11	ChEMBL_1884186 (CHEMBL4385768)	Inhibition of human AChE
50008700	12	ChEMBL_1884176 (CHEMBL4385758)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation
50008700	13	ChEMBL_1884181 (CHEMBL4385763)	Inhibition of human recombinant GSK-3beta using 19F peptide as substrate measured after 1.5 hrs by fluorescence method
50008700	14	ChEMBL_1884171 (CHEMBL4385753)	Inhibition of AChE (unknown origin)
50008700	15	ChEMBL_1884173 (CHEMBL4385755)	Inhibition of BuChE (unknown origin) assessed as decrease in thiocholine accumulation by spectrophotometry
50008700	16	ChEMBL_1884187 (CHEMBL4385769)	Inhibition of NMDA receptor (unknown origin)
50008701	1	ChEMBL_1884192 (CHEMBL4385774)	Inhibition of fluorescent labelled LBS2 DNA binding to human herpesvirus 8 C-terminal His-tagged LANA oligomerization deficient mutant DBD (1008 to 1146 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 60 mins followed by fluorescent labelled LBS2 addition and measured after 90 mins by fluorescence polarization assay
50008701	2	ChEMBL_1884196 (CHEMBL4385778)	Inhibition of fluorescent labelled LBS3 DNA binding to human herpesvirus 8 C-terminal His-tagged LANA oligomerization deficient mutant DBD (1008 to 1146 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 60 mins followed by fluorescent labelled LBS2 addition and measured after 90 mins by fluorescence polarization assay
50008701	3	ChEMBL_1884195 (CHEMBL4385777)	Inhibition of fluorescent labelled LBS1 DNA binding to human herpesvirus 8 C-terminal His-tagged LANA oligomerization deficient mutant DBD (1008 to 1146 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 60 mins followed by fluorescent labelled LBS2 addition and measured after 90 mins by fluorescence polarization assay
50008701	4	ChEMBL_1884198 (CHEMBL4385780)	Binding affinity to human herpesvirus human herpesvirus 8 C-terminal His-tagged LANA oligomerization deficient mutant DBD (1008 to 1146 residues) expressed in Escherichia coli BL21 (DE3) by microscale thermophoresis assay
50008701	5	ChEMBL_1884201 (CHEMBL4385783)	Inhibition of 5'-Dy682-labelled LBS1 DNA binding to human herpesvirus 8 C-terminal His-tagged LANA oligomerization deficient mutant DBD (1008 to 1146 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 1 hr followed by 5'-Dy682-labelled LBS1 DNA addition and measured after 30 mins by electrophoretic mobility shift assay
50008703	1	ChEMBL_1884225 (CHEMBL4385807)	Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50008703	2	ChEMBL_1884230 (CHEMBL4385812)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) using [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50008703	3	ChEMBL_1884207 (CHEMBL4385789)	Inhibition of PDE1B catalytic domain (10 to 487 residues) (unknown origin) using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50008703	4	ChEMBL_1884227 (CHEMBL4385809)	Inhibition of human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50008703	5	ChEMBL_1884222 (CHEMBL4385804)	Inhibition of PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50008703	6	ChEMBL_1884219 (CHEMBL4385801)	Inhibition of recombinant human N-terminal GST-tagged PDE1C (2 to 634 residues) expressed in baculovirus infected Sf9 cells using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50008703	7	ChEMBL_1884224 (CHEMBL4385806)	Inhibition of human PDE10A catalytic domain (449 to 770 residues) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50008703	8	ChEMBL_1884254 (CHEMBL4385836)	Inhibition of CYP1A2 in human liver microsomes using [14C]-ethoxyresorufin as substrate preincubated for 2 mins in presence of NADPH followed by substrate addition and measured after 15 mins by liquid scintillation counting method
50008703	9	ChEMBL_1884255 (CHEMBL4385837)	Inhibition of CYP2B6 in human liver microsomes in presence of NADPH
50008703	10	ChEMBL_1884204 (CHEMBL4385786)	Inhibition of CYP3A4 in human liver microsomes using [14C]-erythromycin as substrate preincubated for 2 mins in presence of NADPH followed by substrate addition and measured after 5 mins by liquid scintillation counting method
50008703	11	ChEMBL_1884212 (CHEMBL4385794)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50008703	12	ChEMBL_1884256 (CHEMBL4385838)	Inhibition of CYP2C9 in human liver microsomes using [14C]-naproxen as substrate preincubated for 2 mins in presence of NADPH followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50008703	13	ChEMBL_1884210 (CHEMBL4385792)	Inhibition of PDE2A catalytic domain (580 to 919 residues) (unknown origin) using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50008703	14	ChEMBL_1884257 (CHEMBL4385839)	Inhibition of CYP2D6 in human liver microsomes using [14C]-dextromethorphan as substrate preincubated for 2 mins in presence of NADPH followed by substrate addition and measured after 10 mins by liquid scintillation counting method
50008703	15	ChEMBL_1884229 (CHEMBL4385811)	Inhibition of PDE7A1 catalytic domain (130 to 482 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50008703	16	ChEMBL_1884214 (CHEMBL4385796)	Inhibition of PDE3A catalytic domain (679 to 1087 residues) (unknown origin) using 3H-cAMP as substrate after 15 mins by liquid scintillation counting method
50008704	1	ChEMBL_1884279 (CHEMBL4385861)	Inhibition of human recombinant nSMase expressed in HEK293 cells using sphingomyelin as substrate by alkaline phosphatase, choline oxidase and horseradish peroxidase dependent H2O2 detection based fluorescence coupled assay
50008704	2	ChEMBL_1884289 (CHEMBL4385871)	Inhibition of rat brain neutral sphingomyelinase pre-incubated for 30 mins before p-nitrophenyl/phosphorylcholine substrate addition by spectrophotometry
50008705	1	ChEMBL_1884296 (CHEMBL4385878)	Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintillation counting method
50008705	2	ChEMBL_1884294 (CHEMBL4385876)	Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintillation counting method
50008705	3	ChEMBL_1884300 (CHEMBL4385882)	Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scintillation counting method
50008705	4	ChEMBL_1884307 (CHEMBL4385889)	Agonist activity at rat Mu-type opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50008705	5	ChEMBL_1884311 (CHEMBL4385893)	Agonist activity at human kappa-type opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50008705	6	ChEMBL_1884299 (CHEMBL4385881)	Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by liquid scintillation counting method
50008705	7	ChEMBL_1884301 (CHEMBL4385883)	Displacement of [3H]-U69593 from kappa-type opioid receptor in guinea pig brain membranes preincubated for 15 mins followed by [3H]-U69593 addition and measured after 90 mins by liquid scintillation counting method
50008705	8	ChEMBL_1884295 (CHEMBL4385877)	Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by liquid scintillation counting method
50008705	9	ChEMBL_1884297 (CHEMBL4385879)	Displacement of [3H]-DAMGO from mu-type opioid receptor in guinea pig brain membranes preincubated for 15 mins followed by [3H]-DAMGO addition and measured after 75 mins by liquid scintillation counting method
50008705	10	ChEMBL_1884302 (CHEMBL4385884)	Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting method
50008706	1	ChEMBL_1884333 (CHEMBL4385915)	Inhibition of NS5B RNA dependent RNA polymerase in HCV 1b Con1 infected in human Huh5-2 cells assessed as reduction in viral RNA replication measured after 3 days by luciferase reporter gene assay
50008707	1	ChEMBL_1884342 (CHEMBL4385924)	Inhibition of FITC-labeled Bak peptide binding to Bcl-xL (unknown origin) after 0.5 hrs by fluorescence polarization assay
50008707	2	ChEMBL_1884343 (CHEMBL4385925)	Inhibition of FITC-labeled Bak peptide binding to Bcl-2 (unknown origin) after 0.5 hrs by fluorescence polarization assay
50008707	3	ChEMBL_1884335 (CHEMBL4385917)	Inhibition of FITC-labeled Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) by fluorescence polarization assay
50008707	4	ChEMBL_1884336 (CHEMBL4385918)	Inhibition of FITC-labeled Bim peptide binding to His6-tagged MBP-fused Mcl-1 (unknown origin) in presence of 1% fetal bovine serum by fluorescence polarization assay
50008707	5	ChEMBL_1884337 (CHEMBL4385919)	Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay
50008707	6	ChEMBL_1884338 (CHEMBL4385920)	Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs in presence of 1% fetal bovine serum by TR-FRET assay
50008708	1	ChEMBL_1884403 (CHEMBL4385985)	Binding affinity to human partial length FLT3 N841I mutant (V592 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	2	ChEMBL_1884390 (CHEMBL4385972)	Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50008708	3	ChEMBL_1884398 (CHEMBL4385980)	Binding affinity to wild-type human partial length FLT3 (V592 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	4	ChEMBL_1884400 (CHEMBL4385982)	Binding affinity to human partial length FLT3 ITD mutant expressed in Escherichia coli measured after 1 hr by qPCR analysis
50008708	5	ChEMBL_1884404 (CHEMBL4385986)	Binding affinity to human partial length FLT3 R834Q mutant (V592 to Y969 residues) expressed in HEK293 cells measured after 1 hr by qPCR analysis
50008708	6	ChEMBL_1884405 (CHEMBL4385987)	Binding affinity to human partial length FLT3 D835H mutant (V592 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	7	ChEMBL_1884475 (CHEMBL4386057)	Inhibition of recombinant human c-Kit (544 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting analysis
50008708	8	ChEMBL_1884399 (CHEMBL4385981)	Binding affinity to human partial length FLT3 D835V mutant (V592 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	9	ChEMBL_1884406 (CHEMBL4385988)	Binding affinity to human partial length FLT3 D835Y mutant (Q580 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	10	ChEMBL_1884402 (CHEMBL4385984)	Binding affinity to human partial length FLT3 ITD/F691L double mutant expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	11	ChEMBL_1884401 (CHEMBL4385983)	Binding affinity to human partial length FLT3 ITD/D835V double mutant expressed in Escherichia coli after 1 hr by qPCR analysis
50008708	12	ChEMBL_1884407 (CHEMBL4385989)	Binding affinity to human partial length FLT3 K663Q mutant (V592 to Y969 residues) expressed in Escherichia coli after 1 hr by qPCR analysis
50008709	1	ChEMBL_1884526 (CHEMBL4386108)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis
50008709	2	ChEMBL_1884527 (CHEMBL4386109)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method
50008709	3	ChEMBL_1884532 (CHEMBL4386114)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis
50008709	4	ChEMBL_1884534 (CHEMBL4386116)	Displacement of [3H]DPDPE from delta opioid receptor in rat membranes after 120 mins by scintillation counting analysis
50008709	5	ChEMBL_1884536 (CHEMBL4386118)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in human RT4 cell membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method
50008709	6	ChEMBL_1884535 (CHEMBL4386117)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting analysis
50008709	7	ChEMBL_1884530 (CHEMBL4386112)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in human RPMI8226 cell membranes incubated for 2 hrs under shaking by scintillation counting analysis
50008709	8	ChEMBL_1884540 (CHEMBL4386122)	Binding affinity to human mu opioid receptor by cell based assay
50008709	9	ChEMBL_1884558 (CHEMBL4386140)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig brain membranes after 150 mins by liquid scintillation counting analysis
50008712	1	ChEMBL_1884567 (CHEMBL4386149)	Inhibition of recombinant human full-length N-terminal GST-His6 fused CDK5 (M1 to P292 residues)/N-terminal His6-tagged p25 (A104 to R307 residues) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP
50008712	2	ChEMBL_1884573 (CHEMBL4386155)	Inhibition of CHK2 (unknown origin)
50008712	3	ChEMBL_1884560 (CHEMBL4386142)	Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP
50008712	4	ChEMBL_1884564 (CHEMBL4386146)	Inhibition of His-tagged CDK1/Cyclin-B1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP
50008712	5	ChEMBL_1884565 (CHEMBL4386147)	Inhibition of GST-tagged CDK2/Cyclin-A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate measured in presence of [gamma-33P]ATP
50008712	6	ChEMBL_1884566 (CHEMBL4386148)	Inhibition of recombinant human N-terminal GST-fused CDK4 (S4 to E303 residues)/cyclin D1 (Q4 to I295 residues) expressed in baculovirus infected Sf9 insect cells using RPPTLSPIPHIPR as substrate measured in presence of [gamma-33P]ATP
50008712	7	ChEMBL_1884568 (CHEMBL4386150)	Inhibition of recombinant human N-terminal GST-His6-fused CDK7 (M1 to F346 residues)/N-terminal His-tagged cyclin H (M1 to L323 residues)/N-terminal His6-tagged MAT1 (M1 to S306 residues) expressed in baculovirus infected Sf9 insect cells using (YSPTSPS)2KK as substrate measured in presence of [gamma-33P]ATP
50008712	8	ChEMBL_1884569 (CHEMBL4386151)	Inhibition of recombinant human N-terminal GST-His6-fused CDK9 (M1 to F372 residues)/N-terminal His6-tagged cyclin T1 (M1 to K726 residues) expressed in baculovirus infected Sf9 insect cells using (YSPTSPS)2KK as substrate measured in presence of [gamma-33P]ATP
50008712	9	ChEMBL_1884572 (CHEMBL4386154)	Inhibition of CK1delta (unknown origin)
50008714	1	ChEMBL_1884747 (CHEMBL4386329)	Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation counting method
50008714	2	ChEMBL_1884713 (CHEMBL4386295)	Inhibition of full length human Nav1.7 expressed in HEK293 cells assessed as reduction of current amplitude at -60 mV holding potential measured after 20 mins by whole-cell voltage clamp method
50008714	3	ChEMBL_1884729 (CHEMBL4386311)	Inhibition of full length human Nav1.6 expressed in CHO cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	4	ChEMBL_1884714 (CHEMBL4386296)	Inhibition of full length human Nav1.7 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	5	ChEMBL_1884715 (CHEMBL4386297)	Inhibition of full length human Nav1.1 expressed in CHO cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	6	ChEMBL_1884716 (CHEMBL4386298)	Inhibition of full length human Nav1.2 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	7	ChEMBL_1884725 (CHEMBL4386307)	Inhibition of full length human Nav1.4 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	8	ChEMBL_1884726 (CHEMBL4386308)	Inhibition of full length human Nav1.5 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	9	ChEMBL_1884721 (CHEMBL4386303)	Inhibition of full length human Nav1.3 expressed in HEK293 cells at -60 mV holding potential by manual patch clamp electrophysiology method
50008714	10	ChEMBL_1884728 (CHEMBL4386310)	Inhibition of full length rat Nav1.7 at -60 mV holding potential by manual patch clamp electrophysiology method
50008716	1	ChEMBL_1884822 (CHEMBL4386404)	Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay
50008716	2	ChEMBL_1884823 (CHEMBL4386405)	Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter gene-based BRET assay
50008716	3	ChEMBL_1884824 (CHEMBL4386406)	Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter gene-based BRET assay
50008716	4	ChEMBL_1884826 (CHEMBL4386408)	Inhibition of recombinant full-length C-terminal FLAG-fused/His-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay
50008716	5	ChEMBL_1884828 (CHEMBL4386410)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay
50008716	6	ChEMBL_1884829 (CHEMBL4386411)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay
50008716	7	ChEMBL_1884827 (CHEMBL4386409)	Inhibition of recombinant full-length C-terminal His-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells measured after 40 mins by HDAC-Glo1/2 luminescent assay
50008717	1	ChEMBL_1884832 (CHEMBL4386414)	Displacement of [3H]PGE2 from human recombinant EP2 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting method
50008717	2	ChEMBL_1884835 (CHEMBL4386417)	Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA
50008717	3	ChEMBL_1884837 (CHEMBL4386419)	Agonist activity at human EP4 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 hrs by SEAP reporter gene-based chemiluminescence assay
50008717	4	ChEMBL_1884838 (CHEMBL4386420)	Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in GalphaS-mediated CREB activation measured after 6 to 24 hrs by SEAP reporter gene-based chemiluminescence assay
50008717	5	ChEMBL_1884876 (CHEMBL4386458)	Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current amplitude by automated patch-clamp method
50008717	6	ChEMBL_1884833 (CHEMBL4386415)	Displacement of [3H]PGE2 from human recombinant EP3 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting method
50008717	7	ChEMBL_1884834 (CHEMBL4386416)	Displacement of [3H]PGE2 from human recombinant EP4 receptor expressed in HEK293 cell membranes after 120 mins by liquid scintillation counting method
50008717	8	ChEMBL_1884836 (CHEMBL4386418)	Agonist activity at human EP2 receptor expressed in HEK293T/17 cells assessed as increase in intracellular cAMP level incubated for 30 mins by ELISA
50008718	1	ChEMBL_1884887 (CHEMBL4386469)	Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated for 10 mins followed by substrate addition by UV absorption analysis
50008718	2	ChEMBL_1884896 (CHEMBL4386478)	Inhibition of rabbit reticulocyte 15-LOX using [14C]-linoleic acid as substrate preincubated for 15 mins followed by substrate addition by RP-HPLC analysis
50008719	1	ChEMBL_1884903 (CHEMBL4386485)	Inhibition of recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected Sf9 insect cells assessed as decrease in poly (Glu,Tyr) 4:1 phosphorylation measured after 150 mins in presence of ATP by ADP-glo based luminescence assay
50008719	2	ChEMBL_1884905 (CHEMBL4386487)	Inhibition of unactivated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected Sf9 insect cells assessed as decrease in poly (Glu,Tyr) 4:1 phosphorylation incubated for 30 mins followed by ATP addition and measured after 120 mins by Kinase Glo based luminescence assay
50008719	3	ChEMBL_1884932 (CHEMBL4386514)	Inhibition of human c-KIT A loop exon 18 A829P single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	4	ChEMBL_1884904 (CHEMBL4386486)	Inhibition of ATP-activated recombinant human N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) expressed in baculovirus infected Sf9 insect cells assessed as decrease in poly (Glu,Tyr) 4:1 phosphorylation incubated for 30 mins followed by ATP addition and measured after 30 mins by Kinase Glo based luminescence assay
50008719	5	ChEMBL_1884902 (CHEMBL4386484)	Inhibition of human c-KIT JM domain exon 11 V560G single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	6	ChEMBL_1884906 (CHEMBL4386488)	Inhibition of human c-KIT ATP binding domain exon 13 V654A single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	7	ChEMBL_1884923 (CHEMBL4386505)	Inhibition of human c-KIT A loop exon 17 D820E single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	8	ChEMBL_1884926 (CHEMBL4386508)	Inhibition of human c-KIT A loop exon 17 D820Y single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	9	ChEMBL_1884929 (CHEMBL4386511)	Inhibition of human c-KIT A loop exon 17 Y823D single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	10	ChEMBL_1884935 (CHEMBL4386517)	Inhibition of human c-KIT A loop exon 11/13 V559D/V654A double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	11	ChEMBL_1884938 (CHEMBL4386520)	Inhibition of human c-KIT A loop exon 11/17 V560G/D816V double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	12	ChEMBL_1884911 (CHEMBL4386493)	Inhibition of human c-KIT ATP binding domain exon 13 K642E single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	13	ChEMBL_1884914 (CHEMBL4386496)	Inhibition of human c-KIT ATP binding domain exon 14 T670I single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	14	ChEMBL_1884917 (CHEMBL4386499)	Inhibition of human c-KIT A loop exon 17 D816H single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	15	ChEMBL_1884941 (CHEMBL4386523)	Inhibition of human c-KIT A loop exon 11/17 V560G/N822K double mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008719	16	ChEMBL_1884920 (CHEMBL4386502)	Inhibition of human c-KIT A loop exon 17 D816V single mutant using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma-ATP by hotspot kinase assay
50008721	1	ChEMBL_1884969 (CHEMBL4386551)	Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by fluorescence polarization assay
50008721	2	ChEMBL_1884971 (CHEMBL4386553)	Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assay
50008721	3	ChEMBL_1884970 (CHEMBL4386552)	Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isothermal titration calorimetry
50008722	1	ChEMBL_1884973 (CHEMBL4386555)	Binding affinity to BRAF (unknown origin) by intrinsic tryptophan fluorescence assay
50008722	2	ChEMBL_1884977 (CHEMBL4386559)	Binding affinity to BRAF (unknown origin) by isothermal titration calorimetry
50008723	1	ChEMBL_1884986 (CHEMBL4386568)	Inhibition of humanized zebrafish TDP2 using 5'-(6-FAM-NHS) as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50008724	1	ChEMBL_1885030 (CHEMBL4386612)	Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50008724	2	ChEMBL_1885037 (CHEMBL4386619)	Inhibition of catalytic activity of ppGalNAcT14 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	3	ChEMBL_1885029 (CHEMBL4386611)	Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293T cells and using 5-FAM labelled-EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	4	ChEMBL_1885031 (CHEMBL4386613)	Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as association rate by SPR analysis
50008724	5	ChEMBL_1885032 (CHEMBL4386614)	Binding affinity of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells assessed as dissociation rate by SPR analysis
50008724	6	ChEMBL_1885034 (CHEMBL4386616)	Non-competitive inhibition of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells using UDP-GalNAc as substrate by HPLC-based enzyme assay
50008724	7	ChEMBL_1885036 (CHEMBL4386618)	Inhibition of catalytic activity of ppGalNAcT13 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	8	ChEMBL_1885038 (CHEMBL4386620)	Inhibition of catalytic activity of ppGalNAcT3 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	9	ChEMBL_1885040 (CHEMBL4386622)	Inhibition of catalytic activity of ppGalNAcT10 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	10	ChEMBL_1885041 (CHEMBL4386623)	Inhibition of catalytic activity of OGT (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	11	ChEMBL_1885045 (CHEMBL4386627)	Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 W282A mutant expressed in HEK293 cells using EA2 peptide as substrate by HPLC-based enzyme assay
50008724	12	ChEMBL_1885033 (CHEMBL4386615)	Competitive inhibition of human recombinant FLAG-tagged ppGalNAcT2 expressed in HEK293 cells using EA2 peptide as substrate by HPLC-based enzyme assay
50008724	13	ChEMBL_1885039 (CHEMBL4386621)	Inhibition of catalytic activity of ppGalNAcT6 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	14	ChEMBL_1885044 (CHEMBL4386626)	Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc7 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	15	ChEMBL_1885035 (CHEMBL4386617)	Inhibition of catalytic activity of ppGalNAcT1 (unknown origin) using EA2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	16	ChEMBL_1885042 (CHEMBL4386624)	Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc2 peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008724	17	ChEMBL_1885043 (CHEMBL4386625)	Inhibition of catalytic activity of human recombinant FLAG-tagged ppGalNAcT2 using Muc5AC peptide as substrate incubated for 30 mins by HPLC-based enzyme assay
50008728	1	ChEMBL_1885128 (CHEMBL4386710)	Inhibition of NS5A in HCV genotype 1b Con1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	2	ChEMBL_1885129 (CHEMBL4386711)	Inhibition of NS5A in HCV genotype 2a JFH1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	3	ChEMBL_1885131 (CHEMBL4386713)	Inhibition of NS5A in HCV genotype 2b MD2b-1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	4	ChEMBL_1885133 (CHEMBL4386715)	Inhibition of NS5A in HCV genotype 4a ED43 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	5	ChEMBL_1885137 (CHEMBL4386719)	Inhibition of NS5A L31M mutant in HCV genotype 2a JFH1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	6	ChEMBL_1885138 (CHEMBL4386720)	Inhibition of NS5A L31M mutant in HCV genotype 2a J6 (M31) infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	7	ChEMBL_1885134 (CHEMBL4386716)	Inhibition of NS5A in HCV genotype 5a SA13 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	8	ChEMBL_1885136 (CHEMBL4386718)	Inhibition of NS5A in HCV genotype 2a JFH1 (L31) infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	9	ChEMBL_1885139 (CHEMBL4386721)	Inhibition of NS5A L31M mutant in patient derived HCV genotype 2a MD2b-1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	10	ChEMBL_1885177 (CHEMBL4386759)	Inhibition of NS5A in wild type HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	11	ChEMBL_1885197 (CHEMBL4386779)	Inhibition of NS5A in HCV genotype 3a S52 infected in human HuH7 transient chimeric replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	12	ChEMBL_1885198 (CHEMBL4386780)	Inhibition of NS5A in HCV genotype 4a ED43 infected in human HuH7 transient chimeric replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	13	ChEMBL_1885150 (CHEMBL4386732)	Inhibition of NS5A Y93H mutant in HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	14	ChEMBL_1885168 (CHEMBL4386750)	Inhibition of NS5A K44R mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	15	ChEMBL_1885124 (CHEMBL4386706)	Inhibition of NS5A in HCV genotype 6a HK6 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	16	ChEMBL_1885144 (CHEMBL4386726)	Inhibition of NS5A Q30R mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	17	ChEMBL_1885147 (CHEMBL4386729)	Inhibition of NS5A Q30E mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	18	ChEMBL_1885123 (CHEMBL4386705)	Inhibition of NS5A in wild type HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	19	ChEMBL_1885127 (CHEMBL4386709)	Inhibition of NS5A in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	20	ChEMBL_1885196 (CHEMBL4386778)	Inhibition of NS5A L31M mutant in HCV genotype 2a JFH1 (M31) infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	21	ChEMBL_1885130 (CHEMBL4386712)	Inhibition of NS5A in HCV genotype 2a J6 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	22	ChEMBL_1885132 (CHEMBL4386714)	Inhibition of NS5A in HCV genotype 3a S52 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	23	ChEMBL_1885135 (CHEMBL4386717)	Inhibition of NS5A in HCV genotype 6e D88 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	24	ChEMBL_1885142 (CHEMBL4386724)	Inhibition of NS5A M28T mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	25	ChEMBL_1885143 (CHEMBL4386725)	Inhibition of NS5A Q30H mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	26	ChEMBL_1885145 (CHEMBL4386727)	Inhibition of NS5A L31M mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	27	ChEMBL_1885146 (CHEMBL4386728)	Inhibition of NS5A Y93C mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	28	ChEMBL_1885148 (CHEMBL4386730)	Inhibition of NS5A Y93H mutant in HCV genotype 1a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	29	ChEMBL_1885149 (CHEMBL4386731)	Inhibition of NS5A in wild type HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	30	ChEMBL_1885167 (CHEMBL4386749)	Inhibition of NS5A in HCV wild type genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	31	ChEMBL_1885169 (CHEMBL4386751)	Inhibition of NS5A N62V mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	32	ChEMBL_1885170 (CHEMBL4386752)	Inhibition of NS5A N62S mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	33	ChEMBL_1885172 (CHEMBL4386754)	Inhibition of NS5A in wild type HCV genotype 2b AY232738 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	34	ChEMBL_1885175 (CHEMBL4386757)	Inhibition of NS5A R44K mutant in HCV genotype 2b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	35	ChEMBL_1885173 (CHEMBL4386755)	Inhibition of NS5A A30K mutant in HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	36	ChEMBL_1885174 (CHEMBL4386756)	Inhibition of NS5A Y93H mutant in HCV genotype 3a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	37	ChEMBL_1885171 (CHEMBL4386753)	Inhibition of NS5A in wild type HCV genotype 2b MD2b-1 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008728	38	ChEMBL_1885176 (CHEMBL4386758)	Inhibition of NS5A P58S mutant in HCV genotype 2b infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay
50008731	1	ChEMBL_1885219 (CHEMBL4386801)	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis
50008740	1	ChEMBL_1885222 (CHEMBL4386804)	Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50008740	2	ChEMBL_1885235 (CHEMBL4386817)	Positive allosteric modulation of human M2 AchR
50008740	3	ChEMBL_1885224 (CHEMBL4386806)	Positive allosteric modulation of rat M4 AchR
50008741	1	ChEMBL_1885292 (CHEMBL4386874)	Inhibition of human plasma BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method
50008741	2	ChEMBL_1885290 (CHEMBL4386872)	Inhibition of jack bean urease incubated for 30 mins by indophenol method
50008741	3	ChEMBL_1885297 (CHEMBL4386879)	Inhibition of alpha-glucosidase (unknown origin) using p-NPG as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50008741	4	ChEMBL_1885291 (CHEMBL4386873)	Inhibition of human recombinant AchE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method
50008742	1	ChEMBL_1885325 (CHEMBL4386907)	Inhibition of Escherichia coli DNA gyrase(A2B2 tetramer) preincubated for 5 mins followed by ATP addition and measured once per minute for 20 to 30 minutes by ATPase assay
50008743	1	ChEMBL_1885370 (CHEMBL4386952)	Inhibition of human recombinant BChE pre-incubated for 300 secs before substrate addition by Ellman's method
50008747	1	ChEMBL_1885371 (CHEMBL4386953)	Inhibition of tyrosinase in mouse B16F0 cells using L-DOPA as substrate by UV-Visible spectrophotometric analysis
50008747	2	ChEMBL_1885372 (CHEMBL4386954)	Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate preincubated for 10 mins followed by substrate addition by UV-Visible spectrophotometric analysis
50008747	3	ChEMBL_1885378 (CHEMBL4386960)	Inhibition of tyrosinase in mouse B16F0 cells assessed as reduction in melanin production incubated for 24 hrs by spectrophotometric analysis
50008748	1	ChEMBL_1885395 (CHEMBL4386977)	Inhibition of human RAD51
50008748	2	ChEMBL_1885401 (CHEMBL4386983)	Inhibition of bovine brain tubulin polymerization
50008749	1	ChEMBL_1885429 (CHEMBL4387011)	Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
50008749	2	ChEMBL_1885430 (CHEMBL4387012)	Displacement of [32P]S1P from recombinant human S1PR1 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
50008749	3	ChEMBL_1885431 (CHEMBL4387013)	Displacement of [32P]S1P from recombinant human S1PR3 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
50008749	4	ChEMBL_1885433 (CHEMBL4387015)	Displacement of [32P]S1P from recombinant human S1PR5 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
50008749	5	ChEMBL_1885432 (CHEMBL4387014)	Displacement of [32P]S1P from recombinant human S1PR4 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
50008750	1	ChEMBL_1885444 (CHEMBL4387026)	Displacement of [3H]NECA from human A3 receptor expressed in HeLa-A3 cells incubated for 180 mins by scintillation counting method based radioligand competitive binding assay
50008750	2	ChEMBL_1885441 (CHEMBL4387023)	Displacement of [3H]DPCPX from human A1 receptor expressed in CHO-A1 cells incubated for 60 mins by scintillation counting method based radioligand competitive binding assay
50008750	3	ChEMBL_1885443 (CHEMBL4387025)	Displacement of [3H]DPCPX from human A2B receptor expressed in HEK-293-A2B cells incubated for 30 mins by scintillation counting method based radioligand competitive binding assay
50008750	4	ChEMBL_1885442 (CHEMBL4387024)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa-A2A cells incubated for 30 mins by scintillation counting method based radioligand competitive binding assay
50008752	1	ChEMBL_1885449 (CHEMBL4387031)	Inhibition of Toxoplasma gondii FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting
50008752	2	ChEMBL_1885447 (CHEMBL4387029)	Inhibition of Trypanosoma cruzi FPPS using DMAPP as substrate incubated for 30 mins measured by scintillation counting
50008754	1	ChEMBL_1885455 (CHEMBL4387037)	Inhibition of PLK1 PBD (unknown origin) using GPMQSpTPLNG-OH as fluorescent probe incubated for 30 mins by fluorescence polarization assay
50008754	2	ChEMBL_1885474 (CHEMBL4387056)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 3 mins followed by substrate addition by Ellman's method
50008754	3	ChEMBL_1885458 (CHEMBL4387040)	Inhibition of cMET (unknown origin) using FAM-labeled peptide as substrate pre-incubated for 10 mins followed by substrate addition by mobility shift assay
50008754	4	ChEMBL_1885475 (CHEMBL4387057)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 3 mins followed by substrate addition by Ellman's method
50008754	5	ChEMBL_1885479 (CHEMBL4387061)	Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50008754	6	ChEMBL_1885480 (CHEMBL4387062)	Inhibition of 5-lipoxygenase (unknown origin) incubated for 10 mins
50008754	7	ChEMBL_1885483 (CHEMBL4387065)	Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using dihydroorotate substrate preincubated for 5 mins followed by substrate addition by DCIP assay
50008754	8	ChEMBL_1885469 (CHEMBL4387051)	Inhibition of jack bean urease assessed as reduction in ammonia production by Berthelot colorimetric method
50008754	9	ChEMBL_1885473 (CHEMBL4387055)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate pre-incubated for 15 mins followed by substrate addition and measured for 20 mins by spectrophotometric analysis
50008754	10	ChEMBL_1885487 (CHEMBL4387069)	Inhibition of human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 20 mins by colorimetric assay
50008755	1	ChEMBL_1885501 (CHEMBL4387083)	Inhibition of human PDE10A using cAMP as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HTRF detection assay
50008760	1	ChEMBL_1885521 (CHEMBL4387103)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes
50008760	2	ChEMBL_1885522 (CHEMBL4387104)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes
50008760	3	ChEMBL_1885532 (CHEMBL4387114)	Inverse agonist activity at human CB1 receptor expressed in CHOK1 cells co-expressing Galphaq16 assessed as inhibition of calcium mobilization after 90 secs by calcein-4 AM dye-based FLIPR assay
50008762	1	ChEMBL_1885552 (CHEMBL4387134)	Inhibition of human full length GST-tagged CDK6 (1 to 326(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression system assessed as inhibition constant using Ulight-4E-BP1 as substrate preincubated for 30 mins followed by substrate addition and incubated for 90 mins by TR-FRET assay
50008762	2	ChEMBL_1885553 (CHEMBL4387135)	Inhibition of human recombinant full length GST-tagged CDK1/Cyclin A2 expressed in sf9 insect cells assessed as inhibition constant using Ulight-4E-BP1 as substrate preincubated for 30 mins followed by substrate addition and incubated for 90 mins by TR-FRET assay
50008762	3	ChEMBL_1885551 (CHEMBL4387133)	Inhibition of human full length GST-tagged CDK4 (1 to 303(end) amino acids)/Cyclin D3 (1 to 292(end) amino acids) expressed in baculovirus expression system assessed as inhibition constant using Ulight-4E-BP1 as substrate preincubated for 30 mins followed by substrate addition and incubated for 90 mins by TR-FRET assay
50008762	4	ChEMBL_1885555 (CHEMBL4387137)	Inhibition of human full length GST-tagged CDK2 (1 to 298(end) amino acids)/Cyclin E1 (1 to 410(end) amino acids) expressed in baculovirus expression system assessed as inhibition constant using Ulight-4E-BP1 as substrate preincubated for 30 mins followed by substrate addition and incubated for 90 mins by TR-FRET assay
50008763	1	ChEMBL_1885817 (CHEMBL4387399)	Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as substrate by Berthelot colorimetric method relative to control
50008763	2	ChEMBL_1885816 (CHEMBL4387398)	Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measuring dissociation constant for enzyme-inhibitor complex using L-arginine as substrate by Berthelot colorimetric method based Dixon/Cornish-Bowden plot analysis relative to control
50008764	1	ChEMBL_1885855 (CHEMBL4387437)	Transactivation of human GAL4-fused PPARalpha LBD expressed in human HepG2 cells after 24 hrs by renilla luciferase reporter gene assay
50008764	2	ChEMBL_1885857 (CHEMBL4387439)	Transactivation of mouse GAL4-fused PPARalpha expressed in human HepG2 cells after 24 hrs by dual renilla-luciferase reporter gene assay
50008764	3	ChEMBL_1885858 (CHEMBL4387440)	Transactivation of rat GAL4-fused PPARalpha expressed in human HepG2 cells after 24 hrs by dual renilla-luciferase reporter gene assay
50008764	4	ChEMBL_1885861 (CHEMBL4387443)	Displacement of fluormone pan-PPAR green from GST-tagged human PPARgamma ligand binding domain after 3 hrs by TR-FRET assay
50008766	1	ChEMBL_1885880 (CHEMBL4387462)	Inhibition of HIV integrase strand transfer activity
50008766	2	ChEMBL_1885886 (CHEMBL4387468)	Inhibition of HIV1 reverse transcriptase RNase H activity expressed in Escherichia coli using 32P-labeled template 31Trna RNA and DNA oligonucleotide 21P
50008766	3	ChEMBL_1885883 (CHEMBL4387465)	Inhibition of strand transfer activity of HIV1 integrase expressed in Escherichia coli using DNA complexes containing 32P-labeled INT1ST and and non-labeled INT2
50008767	1	ChEMBL_1885890 (CHEMBL4387472)	Inhibition of Influenza A virus (A/California/04/2009 (H1N1) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectrofluorometric assay
50008767	2	ChEMBL_1885892 (CHEMBL4387474)	Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectrofluorometric assay
50008767	3	ChEMBL_1885893 (CHEMBL4387475)	Inhibition of Influenza A virus (A/Anhui/1/2013 (H7N9) neuraminidase expressed by HEK293 cells incubated for 1 hr using 4-MU-NANA substrate by spectrofluorometric assay
50008768	1	ChEMBL_1885903 (CHEMBL4387485)	Binding affinity to N-terminally biotinylated human SETDB1 Tudor domain (197 to 403 residues) expressed in Escherichia coli BL21(DE3)-pRARE2 cells by SPR analysis
50008768	2	ChEMBL_1885904 (CHEMBL4387486)	Binding affinity to N-terminal His6-tagged human SETDB1 Tudor domain (197 to 403 residues) expressed in Escherichia coli BL21(DE3)-pRARE2 cells by ITC assay
50008769	1	ChEMBL_1885905 (CHEMBL4387487)	Inhibition of human TRPV4 expressed in HEK293 cells assessed as reduction in Ca2+ influx incubated for 30 mins by Fluo4-AM dye based
50008769	2	ChEMBL_1885908 (CHEMBL4387490)	Inhibition of rat TRPV4 expressed in HEK293 cells assessed as reduction in Ca2+ influx incubated for 30 mins by Fluo4-AM dye based
50008772	1	ChEMBL_1885922 (CHEMBL4387504)	Inhibition of EGFR (unknown origin) incubated for 30 mins by enzyme immunoassay
50008772	2	ChEMBL_1885921 (CHEMBL4387503)	Inhibition of VEGFR2 (unknown origin) incubated for 30 mins by enzyme immunoassay
50008772	3	ChEMBL_1885923 (CHEMBL4387505)	Inhibition of bFGFR (unknown origin) incubated for 30 mins by enzyme immunoassay
50008773	1	ChEMBL_1885969 (CHEMBL4387551)	Inhibition of COX1 (unknown origin) assessed as suppression of PGG2 conversion to PGH2 incubated fro 2 mins by TMPD based colorimetric assay
50008773	2	ChEMBL_1885970 (CHEMBL4387552)	Inhibition of COX2 (unknown origin) assessed as suppression of PGG2 conversion to PGH2 incubated fro 2 mins by TMPD based colorimetric assay
50008775	1	ChEMBL_1885981 (CHEMBL4387563)	Inhibition of 6x-His-tagged and SUMO tagged human PYCR1 expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in NADH oxidation incubated for 1 hr
50008775	2	ChEMBL_1886003 (CHEMBL4387585)	Inhibition of MAOB (unknown origin)
50008778	1	ChEMBL_1886014 (CHEMBL4387596)	Antagonist activity at human OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay based by Cheng-Prusoff equation analysis
50008778	2	ChEMBL_1886013 (CHEMBL4387595)	Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 15 mins followed by orexin A addition by Fura 2-AM dye based fluorescence assay based by Cheng-Prusoff equation analysis
50008779	1	ChEMBL_1886050 (CHEMBL4387632)	Antagonist activity at human PTHR1 expressed in CHOK1 cells co-expressing Gs/Gq assessed as reduction in human PTH (1 to 34 residues)-induced cAMP accumulation incubated for 30 mins by HTRF assay
50008782	1	ChEMBL_1886064 (CHEMBL4387646)	Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay
50008782	2	ChEMBL_1886068 (CHEMBL4387650)	Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay
50008782	3	ChEMBL_1886069 (CHEMBL4387651)	Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay
50008784	1	ChEMBL_1886091 (CHEMBL4387673)	Inhibition of PI3KD (unknown origin) by HTRF assay
50008786	1	ChEMBL_1886095 (CHEMBL4387677)	Inhibition of HIV1 protease using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by continuous fluorometric assay
50008787	1	ChEMBL_1886101 (CHEMBL4387683)	Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using uridine, phosphoenolpyruvate, NADH and varying ATP level by spectrophotometry based pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50008787	2	ChEMBL_1886098 (CHEMBL4387680)	Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measured after 60 mins by ADP-Glo kinase assay based HTS assay
50008787	3	ChEMBL_1886097 (CHEMBL4387679)	Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measured after 60 mins by ADP-Glo kinase assay
50008787	4	ChEMBL_1886100 (CHEMBL4387682)	Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH and varying uridine level by spectrophotometry based pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50008787	5	ChEMBL_1886104 (CHEMBL4387686)	Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH, uridine level by spectrophotometry based pyruvate kinase and lactate dehydrogenase coupled enzyme assay
50008789	1	ChEMBL_1886125 (CHEMBL4387802)	Inhibition of NS5A in HCV genotype 1b infected in human HuH7 replicon cells assessed as reduction in subgenomic viral RNA replication treated for 2 days followed by compound washout and subsequent compound dosing measured after 1 day by SEAP reporter gene assay
50008791	1	ChEMBL_1886273 (CHEMBL4387950)	Competitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analysis
50008791	2	ChEMBL_1886276 (CHEMBL4387953)	Noncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analysis
50008791	3	ChEMBL_1886284 (CHEMBL4387961)	Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for free enzyme using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analysis
50008791	4	ChEMBL_1886270 (CHEMBL4387947)	Competitive inhibition of 5'-nucleotidase (unknown origin) using varying level of IMP as substrate by Lineweaver-Burk plot analysis
50008791	5	ChEMBL_1886281 (CHEMBL4387958)	Uncompetitive inhibition of recombinant cN-II (unknown origin) using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analysis
50008791	7	ChEMBL_1886268 (CHEMBL4387945)	Competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for free enzyme by Lineweaver-Burk plot analysis
50008791	6	ChEMBL_1886285 (CHEMBL4387962)	Mixed type inhibition of recombinant cN-II (unknown origin) assessed as inhibitor constant for enzyme substrate complex using varying level of IMP as substrate by HPLC method based Lineweaver-Burk plot analysis
50008791	8	ChEMBL_1886269 (CHEMBL4387946)	Non-competitive type of inhibition of human 5'-nucleotidase using IMP as substrate assessed as inhibitor constant for enzyme substrate complex by Lineweaver-Burk plot analysis
50008792	1	ChEMBL_1886299 (CHEMBL4387976)	Inhibition of HDAC1 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008792	2	ChEMBL_1886309 (CHEMBL4387986)	Inhibition of HDAC11 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008792	3	ChEMBL_1886308 (CHEMBL4387985)	Inhibition of HDAC10 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008792	4	ChEMBL_1886301 (CHEMBL4387978)	Inhibition of HDAC3 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008792	5	ChEMBL_1886302 (CHEMBL4387979)	Inhibition of HDAC8 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008792	6	ChEMBL_1886300 (CHEMBL4387977)	Inhibition of HDAC2 (unknown origin) using Fluor de Lys substrate by fluorescence assay relative to control
50008793	1	ChEMBL_1886412 (CHEMBL4388089)	Inhibition of ALR2 in rat erythrocytes assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromatographic analysis relative to control
50008793	2	ChEMBL_1886404 (CHEMBL4388081)	Inhibition of human recombinant ALR2 expressed in Escherichia coli using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by substrate addition and measured after 30 mins at 2 mins interval by spectrophotometry relative to control
50008793	3	ChEMBL_1886422 (CHEMBL4388099)	Inhibition of ALR2 in rat lens assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromatographic analysis relative to control
50008793	4	ChEMBL_1886417 (CHEMBL4388094)	Inhibition of ALR2 in rat sciatic nerve assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromatographic analysis
50008793	5	ChEMBL_1886406 (CHEMBL4388083)	Inhibition of rat kidney ALR1 using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by substrate addition and measured for 30 mins at 2 mins interval by spectrophotometry relative to control
50008795	1	ChEMBL_1886445 (CHEMBL4388122)	Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation preincubated for 10 mins followed by biotinylated-NAD+ addition and measured after 45 mins by ELISA
50008795	2	ChEMBL_1886446 (CHEMBL4388123)	Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 SAM-PARP domain (613 to 1166 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation preincubated for 10 mins followed by biotinylated-NAD+ addition and measured after 45 mins by ELISA
50008795	3	ChEMBL_1886448 (CHEMBL4388125)	Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase reporter gene assay
50008795	4	ChEMBL_1886447 (CHEMBL4388124)	Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50008795	5	ChEMBL_1886464 (CHEMBL4388141)	Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase reporter gene assay
50008795	6	ChEMBL_1886474 (CHEMBL4388151)	Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50008795	7	ChEMBL_1886475 (CHEMBL4388152)	Inhibition of human recombinant N-terminal TEV-cleavgae site-fused-FLAG/Polyhis-tagged PARP10 (2 to 583 residues) expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured after 45 mins in presence of biotinylated-NAD+ by ELISA
50008796	1	ChEMBL_1886540 (CHEMBL4388217)	Inhibition of smo-mediated hedgehog signaling pathway in mouse ASZ001 cells assessed as decrease in Gli1 mRNA expression after 48 hrs by qPCR method
50008797	1	ChEMBL_1886560 (CHEMBL4388237)	Displacement of Tracer Red from human ERG by fluorescence polarization assay
50008797	2	ChEMBL_1886561 (CHEMBL4388238)	Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50008797	3	ChEMBL_1886565 (CHEMBL4388242)	Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50008797	4	ChEMBL_1886562 (CHEMBL4388239)	Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50008797	5	ChEMBL_1886563 (CHEMBL4388240)	Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50008797	6	ChEMBL_1886564 (CHEMBL4388241)	Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by NADPH addition and measured after 30 mins by CYP450-Glo assay
50008797	7	ChEMBL_1886551 (CHEMBL4388228)	Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPH
50008798	1	ChEMBL_1886716 (CHEMBL4388393)	Inhibition of AF488-labelled PA binding to AF546- labelled GST-tagged CMG2 R40C/C178A double mutant (unknown origin) expressed in Escherichia coli BL21 DE3 measured after 4 hrs by FRET assay
50008800	1	ChEMBL_1886784 (CHEMBL4388461)	Inhibition of recombinant NAMPT (unknown origin) using NAM and PRPP as substrates incubated for 60 mins in presence of NMNAT1 measured at 5 mins interval for 30 mins by WST1 assay
50008803	1	ChEMBL_1886792 (CHEMBL4388469)	Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as substrate measured at 30 secs interval for 5 mins by fluorescence intensity assay
50008803	2	ChEMBL_1886793 (CHEMBL4388470)	Inhibition of recombinant bovine enterokinase activated N-terminal His-tagged recombinant human KLK1 (19 to 262 residues) expressed in baculovirus infected Sf9 insect cells using 3',6'-bis(prolylphenylalanylarginylamino)3H-spiro(2-benzofuran-1,9'-xanthen)-3-one;TFA as substrate measured at 30 secs interval for 5 mins by fluorescence intensity assay
50008803	3	ChEMBL_1886797 (CHEMBL4388474)	Inhibition of recombinant C-terminal 10-His tagged human KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	4	ChEMBL_1886791 (CHEMBL4388468)	Inhibition of recombinant C-terminal 10His-tagged human KLK14 (Gln19 to Met248 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	5	ChEMBL_1886798 (CHEMBL4388475)	Inhibition of recombinant C-terminal 10His-tagged human coagulation factor 10a (Leu24 to Lys488 residues) expressed in baculovirus infected Sf9 insect cells using Mca-RPKPVE-Nval-WRK(Dnp)-NH2 as substrate after 40 mins by fluorescence intensity assay
50008803	6	ChEMBL_1886801 (CHEMBL4388478)	Inhibition of recombinant C-terminal 10His-tagged human thrombin (Met1 to Glu622 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	7	ChEMBL_1886800 (CHEMBL4388477)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	8	ChEMBL_1886796 (CHEMBL4388473)	Inhibition of recombinant C-terminal 10His-tagged human KLK7 (Glu23 to His252 residues) expressed in mouse NS0 cells using 5-FAM-E-A-L-Y-L-V-S-G-C as substrate after 40 mins by fluorescence intensity assay
50008803	9	ChEMBL_1886799 (CHEMBL4388476)	Inhibition of recombinant human N-terminal met-His6-tagged matriptase catalytic domain (Gly596 to Val855 residues) expressed in Escherichia coli using Boc-QAR-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	10	ChEMBL_1886802 (CHEMBL4388479)	Inhibition of recombinant C-terminal 10His-tagged human urokinase (Met1 to Leu431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 40 mins by fluorescence intensity assay
50008803	11	ChEMBL_1886795 (CHEMBL4388472)	Inhibition of recombinant C-terminal 6-His tagged human KLKB1 (Gly20 to Ala638 residues) expressed in mouse NS0 cells using P-F-R-AMC as substrate after 40 mins by fluorescence intensity assay
50008804	1	ChEMBL_1886828 (CHEMBL4388505)	Inhibition of ALK F1174L mutant (unknown origin)
50008804	2	ChEMBL_1886826 (CHEMBL4388503)	Inhibition of wild-type ALK (unknown origin)
50008804	3	ChEMBL_1886827 (CHEMBL4388504)	Inhibition of ALK L1196M mutant (unknown origin)
50008807	1	ChEMBL_1886839 (CHEMBL4388516)	Inhibition of WEE1 in human NCI-H1299 cells assessed as reduction in Cdc2 phosphorylation at Tyr15 residue measured after 6 hrs by ELISA
50008807	2	ChEMBL_1886838 (CHEMBL4388515)	Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system measured after 1 hr by TR-FRET assay
50008808	1	ChEMBL_1886850 (CHEMBL4388527)	Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay
50008808	2	ChEMBL_1886849 (CHEMBL4388526)	Inhibition of probe binding to wild type EGFR (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay
50008808	3	ChEMBL_1886874 (CHEMBL4388551)	Binding affinity to human partial length wild type EGFR (R669 to V1011 residues) expressed in bacterial expression system by kinomescan assay
50008808	4	ChEMBL_1886886 (CHEMBL4388563)	Binding affinity to human partial length EGFR L858R mutant (R669 to V1011 residues) expressed in bacterial expression system under predilution/full equilibration condition by scanKINETIC assay
50008808	5	ChEMBL_1886867 (CHEMBL4388544)	Binding affinity to human partial length EGFR L858R mutant (R669 to V1011 residues) expressed in bacterial expression system by kinomescan assay
50008808	6	ChEMBL_1886851 (CHEMBL4388528)	Inhibition of probe binding to HER2 (unknown origin) using rabbit reticulate lysate system after 1 hr by luminescence assay
50008808	7	ChEMBL_1886872 (CHEMBL4388549)	Binding affinity to human partial length EGFR E746-A750 deletion mutant expressed in bacterial expression system by KinomeScan assay
50008808	8	ChEMBL_1886875 (CHEMBL4388552)	Binding affinity to human partial length EGFR L747-T751del/Sins mutant expressed in bacterial expression system by KinomeScan assay
50008808	9	ChEMBL_1886883 (CHEMBL4388560)	Binding affinity to human partial length EGFR L858R mutant (R669 to V1011 residues) expressed in bacterial expression system under full equilibrating condition by scanKINETIC assay
50008808	10	ChEMBL_1886884 (CHEMBL4388561)	Binding affinity to human partial length EGFR L858R mutant (R669 to V1011 residues) expressed in bacterial expression system under equilibrate/3-fold dilution/eqiulibrate condition by scanKINETIC assay
50008808	11	ChEMBL_1886885 (CHEMBL4388562)	Binding affinity to human partial length EGFR L858R mutant (R669 to V1011 residues) expressed in bacterial expression system under partial equilibration condition by scanKINETIC assay
50008808	12	ChEMBL_1886889 (CHEMBL4388566)	Inhibition of CYP1A2 (unknown origin)
50008808	13	ChEMBL_1886890 (CHEMBL4388567)	Inhibition of CYP3A4 (unknown origin)
50008808	14	ChEMBL_1886891 (CHEMBL4388568)	Inhibition of CYP2B6 (unknown origin)
50008808	15	ChEMBL_1886869 (CHEMBL4388546)	Binding affinity to human partial length EGFR G719S mutant (R669 to V1011 residues) expressed in bacterial expression system by KinomeScan assay
50008808	16	ChEMBL_1886870 (CHEMBL4388547)	Inhibition of human partial length EGFR L858R/T790M mutant (R669 to V1011 residues) expressed in mammalian expression system by competition binding assay based KinomeScan assay
50008808	17	ChEMBL_1886876 (CHEMBL4388553)	Binding affinity to human partial length EGFR L747-E749del/A750P mutant expressed in bacterial expression system by KinomeScan assay
50008808	18	ChEMBL_1886894 (CHEMBL4388571)	Inhibition of CYP2C19 (unknown origin)
50008808	19	ChEMBL_1886871 (CHEMBL4388548)	Binding affinity to human partial length EGFR S752-I759 deletion mutant expressed in bacterial expression system by KinomeScan assay
50008808	20	ChEMBL_1886893 (CHEMBL4388570)	Inhibition of CYP2C9 (unknown origin)
50008808	21	ChEMBL_1886895 (CHEMBL4388572)	Inhibition of CYP2D6 (unknown origin)
50008808	22	ChEMBL_1886868 (CHEMBL4388545)	Binding affinity to human partial length EGFR G719C mutant (R669 to V1011 residues) expressed in bacterial expression system by KinomeScan assay
50008808	23	ChEMBL_1886877 (CHEMBL4388554)	Binding affinity to human partial length EGFR L861Q mutant (R669 to V1011 residues) expressed in bacterial expression system by KinomeScan assay
50008808	24	ChEMBL_1886873 (CHEMBL4388550)	Binding affinity to human partial length EGFR L747-S752del/P753S mutant expressed in bacterial expression system by KinomeScan assay
50008808	25	ChEMBL_1886892 (CHEMBL4388569)	Inhibition of CYP2C8 (unknown origin)
50008809	1	ChEMBL_1886957 (CHEMBL4388634)	Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spectrophotometric method
50008809	2	ChEMBL_1886959 (CHEMBL4388636)	Inhibition of human PTPN2 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method
50008809	3	ChEMBL_1886960 (CHEMBL4388637)	Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method
50008809	4	ChEMBL_1886967 (CHEMBL4388644)	Inhibition of human HSP60 expressed in Escherichia coli Rosetta 2(DE3)/human HSP10 expressed in Escherichia coli Rosetta 2(DE3) pLysS cells assessed as reduction in HSP60/HSP10-mediated denatured pig heart mitochondrial MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by spectrometric analysis
50008809	5	ChEMBL_1886972 (CHEMBL4388649)	Inhibition of Mycobacterium tuberculosis PtpB
50008809	6	ChEMBL_1886965 (CHEMBL4388642)	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis
50008809	7	ChEMBL_1886964 (CHEMBL4388641)	Inhibition of refolded pig heart mitochondrial MDH preincubated with Escherichia coli GroEL/GroES for 45 mins using sodium mesoxalate as substrate followed by compound addition and measured after 20 to 30 mins by spectrometric analysis
50008809	8	ChEMBL_1886966 (CHEMBL4388643)	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured pig heart mitochondrial MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by spectrometric analysis
50008809	9	ChEMBL_1886958 (CHEMBL4388635)	Inhibition of human PTPN1 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method
50008810	1	ChEMBL_1887133 (CHEMBL4388810)	Agonist activity at human TRPV1 expressed in HEK293T cells assessed as increase in Ca2+ transport incubated for 5 mins by calcium-5 fluorescence dye-based FLIPR assay
50008811	1	ChEMBL_1887147 (CHEMBL4388824)	Positive allosteric modulation of recombinant human GPR40 expressed in HEK293 cells assessed as increase in [3H]-myo-inositol phosphate accumulation measured after 60 mins in presence of 100% human serum by microbeta counting method
50008811	2	ChEMBL_1887214 (CHEMBL4388891)	Positive allosteric modulation of recombinant human GPR40 expressed in HEK293 cells assessed as increase in [3H]-myo-inositol phosphate accumulation measured after 60 mins in absence of human serum by microbeta counting method
50008815	1	ChEMBL_1887238 (CHEMBL4388915)	Inhibition of CYP2D6 (unknown origin)
50008815	2	ChEMBL_1887245 (CHEMBL4388922)	Inhibition of gamma secretase in human SKNBE2 cells expressing human APP695 assessed as increase in Abeta38 levels incubated for 18 hrs by sandwich ELISA
50008815	3	ChEMBL_1887239 (CHEMBL4388916)	Inhibition of CYP2C9 (unknown origin)
50008815	4	ChEMBL_1887242 (CHEMBL4388919)	Inhibition of CYP2C8 (unknown origin)
50008815	5	ChEMBL_1887243 (CHEMBL4388920)	Inhibition of human ERG by receptor binding assay
50008815	6	ChEMBL_1887237 (CHEMBL4388914)	Inhibition of CYP3A4 (unknown origin) using midazolam
50008815	7	ChEMBL_1887241 (CHEMBL4388918)	Inhibition of CYP1A2 (unknown origin)
50008815	8	ChEMBL_1887240 (CHEMBL4388917)	Inhibition of CYP2C19 (unknown origin)
50008816	1	ChEMBL_1887314 (CHEMBL4388991)	Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 20 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay
50008816	2	ChEMBL_1887316 (CHEMBL4388993)	Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 100 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay
50008816	3	ChEMBL_1887315 (CHEMBL4388992)	Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 10 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay
50008818	1	ChEMBL_1887339 (CHEMBL4389016)	Inhibition of Cal1 (unknown origin)
50008819	1	ChEMBL_1887401 (CHEMBL4389078)	Reversible inhibition of recombinant full-length N-terminal 6-His-tagged human BTK expressed in baculovirus infected Sf21 insect cells using fluorescent-labeled polyGAT peptide as substrate incubated for 30 mins by TR-FRET assay
50008819	2	ChEMBL_1887873 (CHEMBL4389550)	Binding affinity to wild-type human full length BMX non-receptor tyrosine kinase (M1 to H675 residues) expressed in bacterial expression system by Kinomescan method
50008819	3	ChEMBL_1887877 (CHEMBL4389554)	Inhibition of CYP2C19 (unknown origin)
50008819	4	ChEMBL_1887878 (CHEMBL4389555)	Inhibition of CYP1A2 (unknown origin)
50008819	5	ChEMBL_1887879 (CHEMBL4389556)	Inhibition of BTK in human PBMC assessed as reduction in CD69 expression
50008819	6	ChEMBL_1887876 (CHEMBL4389553)	Inhibition of CYP2C9 (unknown origin)
50008819	7	ChEMBL_1887875 (CHEMBL4389552)	Inhibition of CYP3A4 (unknown origin)
50008819	8	ChEMBL_1887872 (CHEMBL4389549)	Binding affinity to wild-type human partial length TXK tyrosine kinase (L238 to W527 residues) expressed in bacterial expression system by Kinomescan method
50008819	9	ChEMBL_1887871 (CHEMBL4389548)	Binding affinity to wild-type human partial length TEC (L341 to D620 residues) expressed in bacterial expression system by Kinomescan method
50008819	10	ChEMBL_1887870 (CHEMBL4389547)	Binding affinity to wild-type human partial length ITK (R335 to L620 residues) expressed in bacterial expression system by Kinomescan method
50008821	1	ChEMBL_1888363 (CHEMBL4390040)	Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay
50008824	1	ChEMBL_1888365 (CHEMBL4390042)	Antagonist activity at full length human recombinant GCGR transfected in HEK293 cells assessed as inhibition of glucagon-stimulated cAMP by by LANCE assay
50008825	1	ChEMBL_1888390 (CHEMBL4390067)	Agonist activity at human mu opioid receptor expressed in CHO cells by cAMP assay
50008825	2	ChEMBL_1888389 (CHEMBL4390066)	Displacement of [3H]-diprenorphine from MOR (unknown origin)
50008826	1	ChEMBL_1888401 (CHEMBL4390078)	Positive allosteric modulation activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in acetylcholine-induced channel current at -90 mV holding potential preincubated for 2 mins followed by co-application with acetylcholine for 10 secs by two-electrode voltage clamp method
50008826	2	ChEMBL_1888407 (CHEMBL4390084)	Positive allosteric modulation activity at alpha7 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in acetylcholine-induced channel current at -90 mV holding potential by two-electrode voltage clamp method
50008826	3	ChEMBL_1888405 (CHEMBL4390082)	Positive allosteric modulation activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in acetylcholine-induced channel current by measuring acetylcholine EC50 at 10 uM at -90 mV holding potential preincubated for 2 mins followed by co-application with acetylcholine for 10 secs by two-electrode voltage clamp method (Rvb = 231.8 +/- 2 uM)
50008828	1	ChEMBL_1888413 (CHEMBL4390090)	Inhibition of recombinant human full length C-terminal His-tagged PARP1 expressed in Sf9 insect cells preincubated for 15 mins followed by NAD+ addition and measured after 40 mins by fluorescence based assay
50008832	1	ChEMBL_1888425 (CHEMBL4390102)	Inhibition of COX1 (unknown origin)
50008832	2	ChEMBL_1888426 (CHEMBL4390103)	Inhibition of COX2 (unknown origin)
50008833	1	ChEMBL_1888430 (CHEMBL4390107)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman method
50008833	2	ChEMBL_1888429 (CHEMBL4390106)	Inhibition of electric eel Ache using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman method
50008833	3	ChEMBL_1888437 (CHEMBL4390114)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation measured after 48 hrs by ThT fluorescence assay
50008837	1	ChEMBL_1888446 (CHEMBL4390123)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrate addition and measured by continuous fluorometric analysis
50008837	2	ChEMBL_1888448 (CHEMBL4390125)	Inhibition of West Nile virus NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)-Tyr substrate addition and measured by continuous fluorometric analysis
50008840	1	ChEMBL_1888460 (CHEMBL4390137)	Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 9 uM DHFA as substrate
50008840	2	ChEMBL_1888455 (CHEMBL4390132)	Inhibition of recombinant human DHFR assessed as reduction in consumption of NADPH using 18 uM DHFA as substrate
50008840	3	ChEMBL_1888457 (CHEMBL4390134)	Inhibition of rat liver DHFR assessed as reduction in consumption of NADPH using DHFA as substrate
50008841	1	ChEMBL_1888464 (CHEMBL4390141)	Inhibition of mouse endothelial lipase expressed in HEK293F cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis
50008841	2	ChEMBL_1888462 (CHEMBL4390139)	Inhibition of human endothelial lipase derived from human HT1080 cell conditioned media using PED-A1 as substrate incubated for 20 mins and measured every 20 secs for 10 mins by FRET assay
50008841	3	ChEMBL_1888463 (CHEMBL4390140)	Inhibition of human hepatic lipase expressed in African green monkey COS7 cells using PED-A1 as substrate incubated for 20 mins and measured every 20 secs for 10 mins by FRET assay
50008841	4	ChEMBL_1888474 (CHEMBL4390151)	Inhibition of human endothelial lipase using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis
50008841	5	ChEMBL_1888476 (CHEMBL4390153)	Inhibition of hepatic lipase in endothelial lipase knock-out mouse plasma using D31-POPC-HDL as substrate incubated for 2 hrs by LC/MS analysis
50008841	6	ChEMBL_1888475 (CHEMBL4390152)	Inhibition of endothelial lipase in hepatic lipase knock-out mouse plasma using D31-POPC-HDL as substrate incubated for 2 hrs by LC/MS analysis
50008842	1	ChEMBL_1888526 (CHEMBL4390203)	Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method
50008842	2	ChEMBL_1888527 (CHEMBL4390204)	Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubated for 2 hrs by microbeta scintillation counting method
50008843	1	ChEMBL_1888564 (CHEMBL4390241)	Agonist activity at MT1 receptor (unknown origin) expressed in HEK293 cells by Fluo-8 dye-based calcium assay
50008843	2	ChEMBL_1888565 (CHEMBL4390242)	Agonist activity at MT2 receptor (unknown origin) expressed in HEK293 cells by Fluo-8 dye-based calcium assay
50008845	1	ChEMBL_1888568 (CHEMBL4390245)	Inhibition of N-terminal 6-His-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in presence of NADPH incubated for 40 mins by fluorescence assay
50008845	2	ChEMBL_1888566 (CHEMBL4390243)	Inhibition of N-terminal 6-His-tagged wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in presence of NADPH incubated for 40 mins by fluorescence assay
50008845	3	ChEMBL_1888567 (CHEMBL4390244)	Inhibition of N-terminal 6-His-tagged IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 cells using alpha-KG as substrate in presence of NADPH incubated for 40 mins by fluorescence assay
50008845	4	ChEMBL_1888571 (CHEMBL4390248)	Binding affinity to N-terminal 6-His-tagged IDH1 R132H mutant (unknown origin) expressed in BL21 cells assessed as equilibrium dissociation constant by SPR assay
50008845	5	ChEMBL_1888569 (CHEMBL4390246)	Binding affinity to N-terminal 6-His-tagged wild type IDH1 (unknown origin) expressed in BL21 cells assessed as equilibrium dissociation constant by SPR assay
50008845	6	ChEMBL_1888570 (CHEMBL4390247)	Binding affinity to N-terminal 6-His-tagged IDH1 R132C mutant (unknown origin) expressed in BL21 cells assessed as equilibrium dissociation constant by SPR assay
50008847	1	ChEMBL_1888586 (CHEMBL4390263)	Inhibition of ALR1 (unknown origin) using sodium d-glucoronate as substrate preincubated for 10 mins followed by substrate addition by UV-spectrophotometry analysis
50008847	2	ChEMBL_1888587 (CHEMBL4390264)	Inhibition of ALR2 (unknown origin) using sodium dl-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition by UV-spectrophotometry analysis
50008848	1	ChEMBL_1888588 (CHEMBL4390265)	Inhibition of BTK (unknown origin) by ELISA
50008848	2	ChEMBL_1888594 (CHEMBL4390271)	Inhibition of EGFR (unknown origin)
50008850	1	ChEMBL_1888597 (CHEMBL4390274)	Inhibition of Mycobacterium tuberculosis InhA using DDCoA as substrate
50008853	1	ChEMBL_1888603 (CHEMBL4390280)	Agonist activity at human V1A receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008853	2	ChEMBL_1888604 (CHEMBL4390281)	Agonist activity at human V1B receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008853	3	ChEMBL_1888602 (CHEMBL4390279)	Agonist activity at human OTR receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008854	1	ChEMBL_1888672 (CHEMBL4390349)	Inhibition of FITSI-labelled BID binding to human MCl-1 (171 to 327 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50008854	2	ChEMBL_1888674 (CHEMBL4390351)	Binding affinity to biotin-labelled TEV-fused GST-tagged MCl-1 (unknown origin) by surface plasmon resonance analysis
50008856	1	ChEMBL_1888678 (CHEMBL4390355)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured after 15 mins by fluorogenic assay
50008856	2	ChEMBL_1888679 (CHEMBL4390356)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured after 15 mins by fluorogenic assay
50008858	1	ChEMBL_1888710 (CHEMBL4390387)	Inhibition of PSMA in human LNCAP cells using NAAG as substrate measured after 2 hrs by amplex red reagent based fluorescence assay
50008859	1	ChEMBL_1888732 (CHEMBL4390409)	Displacement of [3H]-raclopride from recombinant human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50008859	2	ChEMBL_1888734 (CHEMBL4390411)	Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cells measured after 1 hr by microbeta counting method
50008859	3	ChEMBL_1888733 (CHEMBL4390410)	Displacement of [3H]-8-OHDPAT from recombinant human 5HT1A receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50008859	4	ChEMBL_1888735 (CHEMBL4390412)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50008859	5	ChEMBL_1888736 (CHEMBL4390413)	Displacement of [3H]-5-CT from recombinant human 5HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50008860	1	ChEMBL_1888738 (CHEMBL4390415)	Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatal membranes incubated for 40 mins
50008860	2	ChEMBL_1888740 (CHEMBL4390417)	Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membranes incubated for 15 mins by liquid scintillation spectrometry
50008860	3	ChEMBL_1888741 (CHEMBL4390418)	Binding affinity to 5HT7 (unknown origin)
50008860	4	ChEMBL_1888742 (CHEMBL4390419)	Displacement of [3H]raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader method
50008860	5	ChEMBL_1888743 (CHEMBL4390420)	Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method
50008860	6	ChEMBL_1888744 (CHEMBL4390421)	Displacement of [3H]ketanserin from human 5HT2AR expressed in CHO-K1 cell membranes after 1 hr by microbeta plate reader method
50008860	7	ChEMBL_1888745 (CHEMBL4390422)	Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method
50008860	8	ChEMBL_1888746 (CHEMBL4390423)	Displacement of [3H]5-CT from human 5HT7B receptor expressed in HEK293 cell membranes after 1 hr by microbeta plate reader method
50008860	9	ChEMBL_1888739 (CHEMBL4390416)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes preincubated for 5 mins followed by addition of [3H]-8-OHDPAT and measured after 10 mins
50008860	10	ChEMBL_1888737 (CHEMBL4390414)	Displacement of [3H]5-CT from human 5HT7 receptor expressed in in COS7 cells incubated for 30 mins by liquid scintillation counting method
50008861	1	ChEMBL_1888772 (CHEMBL4390449)	Inhibition of BRD4 bromodomain 2 (unknown origin) incubated for 30 mins by ELISA
50008862	1	ChEMBL_1888779 (CHEMBL4390456)	Inverse agonist activity at human Gal4-fused RORgammat LBD (267 to 516 residues) expressed in human Jurkat cells measured after 18 hrs by steady-glo luciferase reporter gene assay
50008862	2	ChEMBL_1888780 (CHEMBL4390457)	Transactivation of PXR (unknown origin) expressed in human HepG2 cells
50008862	3	ChEMBL_1888786 (CHEMBL4390463)	Transactivation of human GAL4-fused LXRbeta expressed in African green monkey CV1 cells
50008862	4	ChEMBL_1888783 (CHEMBL4390460)	Inverse agonist activity at human Gal4-fused RORalpha LBD (272 to 556 residues) expressed in human Jurkat cells measured after 18 hrs by steady-glo luciferase reporter gene assay
50008862	5	ChEMBL_1888784 (CHEMBL4390461)	Inverse agonist activity at human Gal4-fused RORbeta LBD (200 to 559 residues) expressed in human Jurkat cells measured after 18 hrs by steady-glo luciferase reporter gene assay
50008862	6	ChEMBL_1888785 (CHEMBL4390462)	Transactivation of human GAL4-fused LXRalpha expressed in African green monkey CV1 cells
50008862	7	ChEMBL_1888795 (CHEMBL4390472)	Inhibition of CYP2C9 (unknown origin)
50008862	8	ChEMBL_1888792 (CHEMBL4390469)	Inhibition of CYP1A2 (unknown origin)
50008862	9	ChEMBL_1888793 (CHEMBL4390470)	Inhibition of CYP2B6 (unknown origin)
50008862	10	ChEMBL_1888796 (CHEMBL4390473)	Inhibition of CYP2C19 (unknown origin)
50008862	11	ChEMBL_1888797 (CHEMBL4390474)	Inhibition of CYP2D6 (unknown origin)
50008862	12	ChEMBL_1888798 (CHEMBL4390475)	Inhibition of CYP3A4 (unknown origin)
50008862	13	ChEMBL_1888794 (CHEMBL4390471)	Inhibition of CYP2C8 (unknown origin)
50008864	1	ChEMBL_1888816 (CHEMBL4390493)	Inhibition of recombinant human full-length C-terminal FLAG-tagged HDAC1 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50008864	2	ChEMBL_1888819 (CHEMBL4390496)	Inhibition of wild-type human N-terminal GST-tagged CDK2/cycA2 expressed in Sf21 insect cells using FAM-labelled substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50008866	1	ChEMBL_1888827 (CHEMBL4390504)	Inhibition of equine serum BuchE using butyrylthiocholine as substrate by Ellman's method
50008866	2	ChEMBL_1888829 (CHEMBL4390506)	Inhibition of recombinant human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 codonplus cells using [3H]cAMP as substrate preincubated for 15 mins followed by substrate addition by liquid scintillation counting method
50008866	3	ChEMBL_1888826 (CHEMBL4390503)	Inhibition of electric eel AchE using acetylthiocholine as substrate by Ellman's method
50008867	1	ChEMBL_1888834 (CHEMBL4390511)	Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed by primer/template addition and measured after 30 mins by picogreen dye-based fluorescence assay
50008867	2	ChEMBL_1888835 (CHEMBL4390512)	Inhibition of recombinant HIV1 reverse transcriptase p66/p51 expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed by primer/template addition and measured after 30 mins by picogreen dye-based fluorescence assay
50008869	1	ChEMBL_1888841 (CHEMBL4390518)	Agonist activity at recombinant human GPR119 expressed in HEK293 cells assessed as increase in intracellular cAMP accumulation measured after 30 mins
50008869	2	ChEMBL_1888852 (CHEMBL4390529)	Inhibition of CYP3A4 (unknown origin)
50008869	3	ChEMBL_1888855 (CHEMBL4390532)	Inhibition of CYP2C9 (unknown origin)
50008869	4	ChEMBL_1888856 (CHEMBL4390533)	Inhibition of CYP2C8 (unknown origin)
50008869	5	ChEMBL_1888853 (CHEMBL4390530)	Inhibition of CYP2D6 (unknown origin)
50008869	6	ChEMBL_1888854 (CHEMBL4390531)	Inhibition of CYP1A2 (unknown origin)
50008869	7	ChEMBL_1888857 (CHEMBL4390534)	Inhibition of CYP2C19 (unknown origin)
50008870	1	ChEMBL_1888864 (CHEMBL4390541)	Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 mins
50008870	2	ChEMBL_1888871 (CHEMBL4390548)	Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 mins using plasma treated sample
50008871	1	ChEMBL_1888881 (CHEMBL4390558)	Induction of ERalpha degradation in human MCF7 cells after 4 hrs by FITC/Hoechst 33342 staining based immunofluorescence imaging analysis
50008873	1	ChEMBL_1888916 (CHEMBL4390593)	Inhibition of Mycobacterium tuberculosis H37Ra PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by spectrophotometric analysis
50008873	2	ChEMBL_1888918 (CHEMBL4390595)	Inhibition of Mycobacterium tuberculosis H37Ra PTPB using p-nitrophenyl phosphate as substrate
50008875	1	ChEMBL_1888958 (CHEMBL4390712)	Inhibition of alpha-glucosidase (unknown origin) incubated for 20 mins before pNPG substrate addition and measured after 30 mins by UV spectrometry
50008876	1	ChEMBL_1888971 (CHEMBL4390725)	Inhibition of BuChE (unknown origin) using butyrylthiocholine bromide as substrate by Ellman method
50008876	2	ChEMBL_1888969 (CHEMBL4390723)	Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate by Ellman method
50008877	1	ChEMBL_1888982 (CHEMBL4390736)	Displacement [3H]-DTG from sigma 2 receptor (unknown origin) expressed in HEK cell membranes
50008877	2	ChEMBL_1888981 (CHEMBL4390735)	Displacement [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK cell membranes
50008878	1	ChEMBL_1888984 (CHEMBL4390738)	Inhibition of recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in enzyme-mediated bovine insulin aggregation
50008878	2	ChEMBL_1889004 (CHEMBL4390758)	Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by isothermal titration calorimetry
50008878	3	ChEMBL_1889003 (CHEMBL4390757)	Binding affinity to recombinant human N-terminal His-tagged PDI expressed in Escherichia coli BL21 (DE3) pLysS by ROX dye based thermal shift assay
50008878	4	ChEMBL_1889005 (CHEMBL4390759)	Binding affinity to recombinant full-length human His-tagged PDI expressed in Escherichia coli Origami B (DE3) by fluorescence assay
50008879	1	ChEMBL_1889161 (CHEMBL4390915)	Inhibition of human ERG by patch clamp electrophysiology method
50008879	2	ChEMBL_1889146 (CHEMBL4390900)	Inhibition of HCV genotype 1a NS5B RNA dependent RNA polymerase C316Y mutant transfected in human HuH7 Lunet replicon cells assessed as reduction in viral replication after 3 days by steady-glo luciferase reporter gene assay
50008879	3	ChEMBL_1889155 (CHEMBL4390909)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured by LC-MS/MS analysis
50008879	4	ChEMBL_1889158 (CHEMBL4390912)	Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-MS/MS analysis
50008879	5	ChEMBL_1889143 (CHEMBL4390897)	Inhibition of HCV genotype 1a wild-type NS5B RNA dependent RNA polymerase transfected in human HuH7 Lunet replicon cells assessed as reduction in viral replication after 3 days by steady-glo luciferase reporter gene assay
50008879	6	ChEMBL_1889144 (CHEMBL4390898)	Inhibition of HCV genotype 1b wild-type NS5B RNA dependent RNA polymerase infected in human HuH7 Lunet replicon cells assessed as reduction in viral replication after 48 hrs by steady-glo luciferase reporter gene assay
50008879	7	ChEMBL_1889145 (CHEMBL4390899)	Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase C316N mutant infected in human HuH7 Lunet replicon cells assessed as reduction in viral replication after 48 hrs by steady-glo luciferase reporter gene assay
50008879	8	ChEMBL_1889154 (CHEMBL4390908)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured by LC-MS/MS analysis
50008879	9	ChEMBL_1889156 (CHEMBL4390910)	Inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-MS/MS analysis
50008879	10	ChEMBL_1889157 (CHEMBL4390911)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 7 mins followed by NADPH addition and measured by LC-MS/MS analysis
50008880	1	ChEMBL_1889207 (CHEMBL4390961)	Agonist activity at human mu opioid receptor expressed in CHOK1 cells coexpressing Galpha15 assessed as increase in intracellular calcium flux in presence of mu opioid receptor antagonist naloxone and incubated for 1 hr measured for 90 secs at 1.5 sec interval by FLIPR assay
50008881	1	ChEMBL_1889220 (CHEMBL4390974)	Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay
50008881	2	ChEMBL_1889221 (CHEMBL4390975)	Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for 60 secs by DCIP reduction based indirect assay
50008882	1	ChEMBL_1889228 (CHEMBL4390982)	Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate by amplex red and horseradish peroxidase based fluorescence assay
50008883	1	ChEMBL_1889288 (CHEMBL4391042)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by Ellman's method
50008884	1	ChEMBL_1889414 (CHEMBL4391168)	Inhibition of human recombinant CDK5/p25 using histone H1 as substrate in presence of [gamma-33P]ATP incubated for 30 mins by liquid scintillation counting assay
50008884	2	ChEMBL_1889413 (CHEMBL4391167)	Inhibition of native porcine brain GSK-3alpha/beta using GS-1 as substrate incubated for 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting assay
50008884	3	ChEMBL_1889411 (CHEMBL4391165)	Inhibition of human serum BChE using BTCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman's method
50008884	4	ChEMBL_1889410 (CHEMBL4391164)	Inhibition of human recombinant AChE using ATCh as substrate preincubated for 20 mins followed by substrate addition and measured for 3 mins by Ellman method
50008886	1	ChEMBL_1889955 (CHEMBL4391709)	Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA method
50008886	2	ChEMBL_1889961 (CHEMBL4391715)	Inhibition of human recombinant COX2 catalytic activity using arachidonic acid as substrate pre-incubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA method
50008888	1	ChEMBL_1889974 (CHEMBL4391728)	Inhibition of human full length N-terminal GST-tagged PDE4B1 expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 1 hr by fluorescence polarization assay
50008889	1	ChEMBL_1889995 (CHEMBL4391749)	Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorescence method
50008890	1	ChEMBL_1890032 (CHEMBL4391786)	Inhibition of human cytosolic CA 1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008890	2	ChEMBL_1890030 (CHEMBL4391784)	Inhibition of human CA 9 catalytic domain
50008890	3	ChEMBL_1890028 (CHEMBL4391782)	Inhibition of full length human CA 1
50008890	4	ChEMBL_1890034 (CHEMBL4391788)	Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008890	5	ChEMBL_1890033 (CHEMBL4391787)	Inhibition of human cytosolic CA 2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008890	6	ChEMBL_1890035 (CHEMBL4391789)	Inhibition of membrane bound human CA 12 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50008890	7	ChEMBL_1890031 (CHEMBL4391785)	Inhibition of human CA 12 catalytic domain
50008890	8	ChEMBL_1890029 (CHEMBL4391783)	Inhibition of full length human CA 2
50008895	1	ChEMBL_1890158 (CHEMBL4391912)	Displacement of [3H]Prazosin from human recombinant alpha 1A adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competition binding assay
50008895	2	ChEMBL_1890159 (CHEMBL4391913)	Displacement of [3H]Prazosin from human recombinant alpha 1B adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competition binding assay
50008895	3	ChEMBL_1890161 (CHEMBL4391915)	Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in human HeLa cells incubated for 30 mins by radioligand competition binding assay
50008895	4	ChEMBL_1890160 (CHEMBL4391914)	Displacement of [3H]Prazosin from human recombinant alpha 1D adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competition binding assay
50008895	5	ChEMBL_1890164 (CHEMBL4391918)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting
50008895	6	ChEMBL_1890165 (CHEMBL4391919)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting
50008895	7	ChEMBL_1890166 (CHEMBL4391920)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting
50008896	1	ChEMBL_1890185 (CHEMBL4391939)	Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins
50008896	2	ChEMBL_1890173 (CHEMBL4391927)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured over 2 mins by UV-Vis spectrophotometric analysis based Ellman's method
50008896	3	ChEMBL_1890174 (CHEMBL4391928)	Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured over 2 mins by UV-Vis spectrophotometric analysis based Ellman's method
50008896	4	ChEMBL_1890180 (CHEMBL4391934)	Displacement of propidium iodide from peripheral binding site of electric eel AChE assessed as dissociation constant at 8 to 56 uM by spectrofluorometry based Taylor and Lappi method
50008897	1	ChEMBL_1890261 (CHEMBL4392015)	Inhibition of human placental microsome aromatase using [1beta3H]-androstenedione as substrate measured after 15 mins in presence of NADPH by liquid scintillation counting method
50008897	2	ChEMBL_1890268 (CHEMBL4392022)	Competitive irreversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured after 5 mins in presence of NADPH by Dixon-plot analysis
50008897	3	ChEMBL_1890267 (CHEMBL4392021)	Competitive reversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured after 5 mins in presence of NADPH by Dixon-plot analysis
50008897	4	ChEMBL_1890270 (CHEMBL4392024)	Competitive inhibition of human placental microsome aromatase using varying levels of [1beta2beta3H]-androstenedione as substrate
50008902	1	ChEMBL_1890282 (CHEMBL4392036)	Inhibition of Tracer Red binding to human ERG expressed in membranes by fluorescence polarization assay
50008902	2	ChEMBL_1890278 (CHEMBL4392032)	Inhibition of Plasmodium falciparum plasmepsin 4 using EDANS-CO-CH2-CH2-CO-ALERMFLSFP-Dap(DABCYL)OH as substrate measured after 60 mins by fluorescence assay
50008902	3	ChEMBL_1890276 (CHEMBL4392030)	Inhibition of recombinant human C-terminal His10-tagged BACE1 using Mca-SEVNLDAEFRK(Dpn)RR-NH2 as substrate measured after 60 mins by TR-FRET assay
50008902	4	ChEMBL_1890277 (CHEMBL4392031)	Inhibition of Plasmodium falciparum plasmepsin 2 using EDANS-CO-CH2-CH2-CO-ALERMFLSFP-Dap(DABCYL)OH as substrate measured after 60 mins by fluorescence assay
50008904	1	ChEMBL_1890307 (CHEMBL4392061)	Binding affinity to full-length human CDK2 expressed in Escherichia coli BL21 (DE3) pLysS cells by isothermal titration calorimetry
50008907	1	ChEMBL_1890310 (CHEMBL4392064)	Displacement of [3H]PSB11 from human A3 adenosine receptor expressed in CHO cell membranes measured after 2 hrs by scintillation spectrometric method
50008907	2	ChEMBL_1890322 (CHEMBL4392076)	Irreversible displacement of [3H]PSB11 from human A3 adenosine receptor expressed in CHO cell membranes measured up to 240 mins by scintillation spectrometric method
50008907	3	ChEMBL_1890312 (CHEMBL4392066)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes measured after 2 hrs by scintillation spectrometric method
50008907	4	ChEMBL_1890313 (CHEMBL4392067)	Displacement of [3H]ZM241385 from human A2A adenosine receptor expressed in HEK293 cell membranes measured after 2 hrs by scintillation spectrometric method
50008907	5	ChEMBL_1890316 (CHEMBL4392070)	Displacement of [3H]PSB11 from human A3 adenosine receptor expressed in CHO cell membranes preincubated for 4 hrs followed by [3H]PSB11 addition and measured after 0.5 hrs by scintillation spectrometric method
50008907	6	ChEMBL_1890317 (CHEMBL4392071)	Displacement of [3H]PSB11 from human A3 adenosine receptor transiently expressed in CHOK1 cell membranes measured after 2 hrs by scintillation spectrometric method
50008907	7	ChEMBL_1890318 (CHEMBL4392072)	Displacement of [3H]PSB11 from human A3 adenosine receptor Y265F (7.36) mutant transiently expressed in CHOK1 cell membranes measured after 2 hrs by scintillation spectrometric method
50008907	8	ChEMBL_1890315 (CHEMBL4392069)	Displacement of [3H]PSB11 from human A3 adenosine receptor expressed in CHO cell membranes measured after 0.5 hrs by scintillation spectrometric method
50008908	1	ChEMBL_1890366 (CHEMBL4392120)	Agonist activity at recombinant human D1 receptor expressed in HEK29T cells assessed as induction of stimulatory G-protein-mediated cAMP accumulation measured after 15 mins by Glosensor-based FLIPR assay
50008908	2	ChEMBL_1890368 (CHEMBL4392122)	Agonist activity at recombinant C-terminal RLuc8-fused human D1 receptor expressed in HEK29T cells co-expressing N-terminal Venus-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment measured after 15 mins in presence of coelenterazine H by BRET assay
50008908	3	ChEMBL_1890376 (CHEMBL4392130)	Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cells measured after 90 mins by microbeta scintillation counting method
50008908	4	ChEMBL_1890378 (CHEMBL4392132)	Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	5	ChEMBL_1890383 (CHEMBL4392137)	Displacement of [3H]5-CT from recombinant human 5HT1B receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	6	ChEMBL_1890385 (CHEMBL4392139)	Displacement of [3H]5-HT from recombinant human 5HT1E receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	7	ChEMBL_1890387 (CHEMBL4392141)	Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	8	ChEMBL_1890390 (CHEMBL4392144)	Displacement of [3H]-LSD from recombinant human 5HT5A receptor stably expressed in Flp-In CHO cells measured after 90 mins by microbeta scintillation counting method
50008908	9	ChEMBL_1890365 (CHEMBL4392119)	Displacement of [3H]-LSD from recombinant human 5HT7A receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	10	ChEMBL_1890393 (CHEMBL4392147)	Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	11	ChEMBL_1890395 (CHEMBL4392149)	Displacement of [125I]-pindolol from recombinant human beta1 adrenergic receptor expressed in CHO Flp-In cells measured after 90 mins by microbeta scintillation counting method
50008908	12	ChEMBL_1890397 (CHEMBL4392151)	Displacement of [3H]-DAMGO from recombinant human MOR stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	13	ChEMBL_1890380 (CHEMBL4392134)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M1 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50008908	14	ChEMBL_1890399 (CHEMBL4392153)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M3 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50008908	15	ChEMBL_1890402 (CHEMBL4392156)	Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50008908	16	ChEMBL_1890404 (CHEMBL4392158)	Displacement of [3H]-citalopram from human SERT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50008908	17	ChEMBL_1890394 (CHEMBL4392148)	Displacement of [3H]-rauwolscine from recombinant human alpha2A adrenergic receptor stably expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method
50008908	18	ChEMBL_1890396 (CHEMBL4392150)	Displacement of [3H]-CGP12177 from recombinant human beta2 adrenergic receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation counting method
50008908	19	ChEMBL_1890381 (CHEMBL4392135)	Displacement of [3H]-U69593 from KOR (unknown origin) measured after 90 mins by microbeta scintillation counting method
50008908	20	ChEMBL_1890398 (CHEMBL4392152)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50008908	21	ChEMBL_1890400 (CHEMBL4392154)	Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting method
50008908	22	ChEMBL_1890401 (CHEMBL4392155)	Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50008908	23	ChEMBL_1890403 (CHEMBL4392157)	Displacement of [3H]-Win35428 from human DAT expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50008908	24	ChEMBL_1890375 (CHEMBL4392129)	Displacement of [3H]-SCH23390 from recombinant human D1 receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	25	ChEMBL_1890377 (CHEMBL4392131)	Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50008908	26	ChEMBL_1890379 (CHEMBL4392133)	Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	27	ChEMBL_1890382 (CHEMBL4392136)	Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor stably expressed in CHO cells measured after 90 mins by microbeta scintillation counting method
50008908	28	ChEMBL_1890384 (CHEMBL4392138)	Displacement of [3H]5-CT from recombinant human 5HT1D receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	29	ChEMBL_1890386 (CHEMBL4392140)	Displacement of [3H]-Ketanserin from 5HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50008908	30	ChEMBL_1890388 (CHEMBL4392142)	Displacement of [3H]GR65630 from recombinant human 5HT3 receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	31	ChEMBL_1890389 (CHEMBL4392143)	Displacement of [3H]GR113808 from recombinant human 5HT4 receptor stably expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50008908	32	ChEMBL_1890391 (CHEMBL4392145)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50008908	33	ChEMBL_1890392 (CHEMBL4392146)	Displacement of [3H]-prazosin from recombinant human alpha1A adrenergic receptor measured after 90 mins by microbeta scintillation counting method
50008910	1	ChEMBL_1890416 (CHEMBL4392170)	Displacement of [3H](R)-(+)-7-OH-DPAT from human D4.4 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting method
50008910	2	ChEMBL_1890422 (CHEMBL4392176)	Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins by Eu-cAMP tracer based TR-FRET assay
50008910	3	ChEMBL_1890424 (CHEMBL4392178)	Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by Eu-cAMP tracer based TR-FRET assay
50008910	4	ChEMBL_1890426 (CHEMBL4392180)	Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as suppression of dopamine-induced inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins by Eu-cAMP tracer based TR-FRET assay
50008910	5	ChEMBL_1890432 (CHEMBL4392186)	Antagonist activity at human D2L receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 90 mins by luminescence assay
50008910	6	ChEMBL_1890434 (CHEMBL4392188)	Agonist activity at human D3 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminescence assay
50008910	7	ChEMBL_1890440 (CHEMBL4392194)	Antagonist activity at human D4 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 90 mins by luminescence assay
50008910	8	ChEMBL_1890410 (CHEMBL4392164)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008910	9	ChEMBL_1890411 (CHEMBL4392165)	Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008910	10	ChEMBL_1890414 (CHEMBL4392168)	Displacement of [3H](R)-(+)-7-OH-DPAT from human D2L receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting method
50008910	11	ChEMBL_1890409 (CHEMBL4392163)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50008910	12	ChEMBL_1890415 (CHEMBL4392169)	Displacement of [3H](R)-(+)-7-OH-DPAT from human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by scintillation counting method
50008910	13	ChEMBL_1890420 (CHEMBL4392174)	Agonist activity at human D2L receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by Eu-cAMP tracer based TR-FRET assay
50008910	14	ChEMBL_1890430 (CHEMBL4392184)	Agonist activity at human D2L receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminescence assay
50008910	15	ChEMBL_1890436 (CHEMBL4392190)	Antagonist activity at human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 90 mins by luminescence assay
50008910	16	ChEMBL_1890438 (CHEMBL4392192)	Agonist activity at human D4 receptor expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by luminescence assay
50008913	1	ChEMBL_1890495 (CHEMBL4392249)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using SPKRIAKRRS as substrate in presence of SAM by fluorescence assay
50008913	2	ChEMBL_1890454 (CHEMBL4392208)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells preincubated for 10 mins in presence of SAM followed by GPKRIA addition and measured after 20 mins by MALDI TOF-MS analysis
50008913	3	ChEMBL_1890481 (CHEMBL4392235)	Inhibition of human His-tagged G9a (913 to 1193 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL using H3-21 peptide as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50008913	4	ChEMBL_1890482 (CHEMBL4392236)	Inhibition of rat His6-tagged PRMT1 expressed in Escherichia coli BL21(DE3) using H4-21 peptide as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50008913	5	ChEMBL_1890485 (CHEMBL4392239)	Inhibition of human His-tagged NNMT (1 to 264 residues) expressed in Escherichia coli BL21(DE3) using 1-quinoline as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50008913	6	ChEMBL_1890449 (CHEMBL4392203)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using GPKRIA as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50008913	7	ChEMBL_1890486 (CHEMBL4392240)	Inhibition of SAHH (unknown origin) using SAH as substrate preincubated for 10 mins followed by substrate addition by fluorescence assay
50008913	8	ChEMBL_1890483 (CHEMBL4392237)	Inhibition of human His-tagged SETD7 (1 to 366 residues) expressed in Escherichia coli using H3-21 peptide as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50008913	9	ChEMBL_1890494 (CHEMBL4392248)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using peptide substrate in presence of SAM by fluorescence assay
50008914	1	ChEMBL_1890496 (CHEMBL4392250)	Inhibition of GFP-tagged SK1 (unknown origin) expressed in HEK293 cells using Sph as substrate measured after 30 mins in presence of [gamma32P]ATP by Cerenkov counting analysis
50008914	2	ChEMBL_1890497 (CHEMBL4392251)	Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using Sph as substrate measured after 30 mins in presence of [gamma32P]ATP by Cerenkov counting analysis
50008914	3	ChEMBL_1890503 (CHEMBL4392257)	Inhibition of recombinant SK1 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma32P]ATP by scintillation proximity assay
50008914	4	ChEMBL_1890505 (CHEMBL4392259)	Inhibition of purified SK2 (unknown origin) using Sph as substrate measured after 15 to 20 mins in presence of [gamma32P]ATP by Cerenkov counting analysis
50008914	5	ChEMBL_1890506 (CHEMBL4392260)	Inhibition of full-length SK1 (unknown origin) (2 to 384 residues) expressed in Escherichia coli using Sph as substrate by resorufin based fluorescence assay
50008914	6	ChEMBL_1890507 (CHEMBL4392261)	Inhibition of SK2 (unknown origin)
50008914	7	ChEMBL_1890502 (CHEMBL4392256)	Inhibition of SK2 (unknown origin) expressed in cell lysates using Sph as substrate measured in presence of [gamma32P]ATP
50008914	8	ChEMBL_1890501 (CHEMBL4392255)	Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using NBD-Sph as substrate measured after 2 hrs by fluorescence based HPLC analysis
50008914	9	ChEMBL_1890504 (CHEMBL4392258)	Inhibition of recombinant SK2 (unknown origin) expressed in Sf9 insect cells using D-erythro-sphingosine as substrate measured in presence of [gamma32P]ATP by scintillation proximity assay
50008915	1	ChEMBL_1890511 (CHEMBL4392265)	Inhibition of recombinant rat C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method
50008915	2	ChEMBL_1890514 (CHEMBL4392268)	Inhibition of CD73 in human MDA-MB-231 cell membranes using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method
50008915	3	ChEMBL_1890517 (CHEMBL4392271)	Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)butyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)-phenyl)-3-iminio-5-sulfo-3H-xanthene-4-sulfonate from recombinant human P2Y14 receptor expressed in CHO cells preincubated for 30 mins followed by tracer addition and measured after 30 mins by flow cytometry
50008915	4	ChEMBL_1890513 (CHEMBL4392267)	Inhibition of recombinant human C-terminal His-tagged soluble form of CD73 expressed in baculovirus infected Sf9 insect cells using [2,8-3H]AMP as substrate measured after 25 mins by scintillation counting method
50008915	5	ChEMBL_1890515 (CHEMBL4392269)	Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as induction of calcium mobilization by calcium-4 dye based FLIPR assay
50008916	1	ChEMBL_1890526 (CHEMBL4392280)	Displacement of [3H]OT from recombinant human OTR expressed in HEK293 cell membranes measured after 1 hr
50008916	2	ChEMBL_1890527 (CHEMBL4392281)	Agonist activity at recombinant human V1a receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008916	3	ChEMBL_1890528 (CHEMBL4392282)	Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008916	4	ChEMBL_1890525 (CHEMBL4392279)	Agonist activity at recombinant human OTR expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs interval for 5 mins by fura-2/AM dye based micro spectrofluorometric method
50008917	1	ChEMBL_1890717 (CHEMBL4392471)	Inhibition of HIV1 protease activity
50008917	2	ChEMBL_1890697 (CHEMBL4392451)	Inhibition of recombinant human UGT1A1 using bilirubin as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins by LC-MS/MS analysis
50008917	3	ChEMBL_1890699 (CHEMBL4392453)	Inhibition of recombinant rat UGT1A1 using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins by LC-MS/MS analysis
50008917	4	ChEMBL_1890700 (CHEMBL4392454)	Inhibition of UGT1A1 in human liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins by LC-MS/MS analysis
50008917	5	ChEMBL_1890701 (CHEMBL4392455)	Inhibition of UGT1A1 in rat liver microsomes using beta-estradiol as substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins by LC-MS/MS analysis
50008919	1	ChEMBL_1890733 (CHEMBL4392487)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Ellman's method
50008919	2	ChEMBL_1890732 (CHEMBL4392486)	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Ellman's method
50008920	1	ChEMBL_1890736 (CHEMBL4392490)	Inhibition of human DGAT1
50008920	2	ChEMBL_1890737 (CHEMBL4392491)	Inhibition of mouse DGAT1
50008920	3	ChEMBL_1890738 (CHEMBL4392492)	Inhibition of human ACAT1
50008920	4	ChEMBL_1890740 (CHEMBL4392494)	Inhibition of human ERG
50008920	5	ChEMBL_1890745 (CHEMBL4392499)	Activity against human A2AR assessed as inhibition of cAMP accumulation by cAMP functional assay
50008920	6	ChEMBL_1890743 (CHEMBL4392497)	Inhibition of CYP2C8 (unknown origin)
50008922	1	ChEMBL_1890799 (CHEMBL4392553)	Inhibition of full length N-terminal FLAG-tagged PRMT5 (unknown origin)/MEP50 (unknown origin) expressed in baculovirus infected Sf21 insect cells using H4(1-21) peptide SGRGKGGKGLGKGGAKRHRKV as substrate measured after 25 minutes in the presence of [3H]SAM by liquid scintillation counting
50008922	2	ChEMBL_1890807 (CHEMBL4392561)	Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction of S-adenosyl-L-homocysteine formation using human recombinant histone H2A (1 to 130 residues) as substrate after 1 hr in the presence of S-adenosyl-L-methionine by high throughput mass spectrometry
50008922	3	ChEMBL_1890808 (CHEMBL4392562)	Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production after 48 hrs by Hoechst Stain/HCS CellMask Deep Red Stain based immunohistochemistry method
50008922	4	ChEMBL_1890800 (CHEMBL4392554)	Inhibition of PRMT5 (unknown origin)
50008922	5	ChEMBL_1890811 (CHEMBL4392565)	Inhibition of PRMT5 in human A549 cells assessed as reduction in sDMA production incubated for 48 hrs by immunohistochemistry analysis
50008922	6	ChEMBL_1890801 (CHEMBL4392555)	Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using histone H2 as substrate preincubated for 15 to 20 mins followed by S-[methyl-3H]adenosyl-L-methionine addition measured after 60 mins by liquid scintillation counting
50008922	7	ChEMBL_1890806 (CHEMBL4392560)	Inhibition of PRMT5 in human Granta-519 assessed as reduction in sDMA production after 3 days by Western blotting analysis
50008922	8	ChEMBL_1890798 (CHEMBL4392552)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (1 to 637 residue) /full length human N-terminal His tagged MEP50 expressed in baculovirus infected Sf9 insect cells assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H-SGRGKGGKGLGKGGAKRHRKVLRDK-Biotin measured after 2 hrs by liquid scintillation counting
50008922	9	ChEMBL_1890810 (CHEMBL4392564)	Inhibition of PRMT5 (unknown origin) assessed as reduction in SAH formation using histone H2A and SAM incubated for 60 mins by high throughput mass spectrometry
50008922	10	ChEMBL_1890812 (CHEMBL4392566)	Inhibition of PRMT5 (unknown origin)/MEP50 (unknown origin) using [3H]-SAM and histone H2A incubated for 60 mins by scintillation counting analysis
50008924	1	ChEMBL_1890819 (CHEMBL4392573)	Inhibition of mTOR (unknown origin) assessed as reduction in p70S6K phosphorylation
50008924	2	ChEMBL_1890816 (CHEMBL4392570)	Inhibition of human PI3Kalpha using PIP2 as substrate after 1 hr
50008924	3	ChEMBL_1890815 (CHEMBL4392569)	Inhibition of human PI3Kdelta using PIP2 as substrate after 1 hr
50008924	4	ChEMBL_1890829 (CHEMBL4392583)	Inhibition of human ERG
50008924	5	ChEMBL_1890817 (CHEMBL4392571)	Inhibition of human PI3Kbeta using PIP2 as substrate after 1 hr
50008924	6	ChEMBL_1890818 (CHEMBL4392572)	Inhibition of human PI3Kgamma using PIP2 as substrate after 1 hr
50008926	1	ChEMBL_1890856 (CHEMBL4392610)	Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) expressed in HEK293T cell membranes
50008928	1	ChEMBL_1890880 (CHEMBL4392634)	Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated for 20 mins followed by substrate addition by spectrophotometry
50008929	1	ChEMBL_1890944 (CHEMBL4392698)	Inhibition of PMDM6-F probe binding to MDM2 (1 to 118 residues) (unknown origin) preincubated for 30 mins followed by PMDM6-F addition and measured after 1 hr fluorescence polarization assay
50008932	1	ChEMBL_1890988 (CHEMBL4392742)	Inhibition of recombinant human N-terminal GST-tagged BRAF V600E mutant catalytic domain (416 to 766 residues) expressed in baculovirus expression system using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured after 2 hrs by filter-binding assay
50008932	2	ChEMBL_1890989 (CHEMBL4392743)	Inhibition of recombinant full-length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Fluor-de-Lys as substrate measured after 10 mins by fluorescence assay
50008932	3	ChEMBL_1890992 (CHEMBL4392746)	Inhibition of human CRAF using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured after 2 hrs by filter-binding assay
50008932	4	ChEMBL_1890991 (CHEMBL4392745)	Inhibition of human ARAF using human His6-tagged MEK1 (K97R) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and measured after 2 hrs by filter-binding assay
50008932	5	ChEMBL_1890999 (CHEMBL4392753)	Inhibition of HDAC1 (unknown origin)
50008933	1	ChEMBL_1891012 (CHEMBL4392766)	Inhibition of recombinant human GSK3alpha/beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate preincubated for 10 to 15 mins followed by [gamma-33P]ATP addition and measured after 20 mins by scintillation proximity assay
50008933	2	ChEMBL_1891009 (CHEMBL4392763)	Inhibition of recombinant human GSK3beta using prephosphorylated peptide as substrate measured after 30 mins by Kinase-glo luminescence assay
50008935	1	ChEMBL_1891024 (CHEMBL4392778)	Inhibition of mouse brain homogenate AChE using acetylthiocholine iodide as substrate measured after 15 mins in presence of BChE inhibitor methopropazine hydrochloride by DTNB reagent based colorimetric method
50008936	1	ChEMBL_1891034 (CHEMBL4392788)	Inhibition of recombinant human Pin1 (Met1 to Glu163 residues) expressed in Escherichia coli using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition and measured for 90 secs by protease-coupled assay
50008938	1	ChEMBL_1891107 (CHEMBL4392934)	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis
50008938	2	ChEMBL_1891102 (CHEMBL4392929)	Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis
50008938	3	ChEMBL_1891108 (CHEMBL4392935)	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis
50008938	4	ChEMBL_1891106 (CHEMBL4392933)	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis
50008938	5	ChEMBL_1891104 (CHEMBL4392931)	Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analysis
50008938	6	ChEMBL_1891100 (CHEMBL4392927)	Binding affinity to Escherichia coli GroEL expressed in Escherichia coliDH5alpha by ITC assay
50008939	1	ChEMBL_1891118 (CHEMBL4392945)	Inhibition of CYP2D6 (unknown origin)
50008939	2	ChEMBL_1891116 (CHEMBL4392943)	Inhibition of human ERG
50008939	3	ChEMBL_1891115 (CHEMBL4392942)	Inhibition of recombinant human Kv1.5 expressed in CHO cells by IonWork high-throughput electrophysiology assay
50008939	4	ChEMBL_1891117 (CHEMBL4392944)	Inhibition of IKs (unknown origin)
50008939	5	ChEMBL_1891126 (CHEMBL4392953)	Inhibition of Kv1.5 in human atrial myocytes assessed as blockade of Ikur current
50008939	6	ChEMBL_1891134 (CHEMBL4392961)	Inhibition of Nav1.5 (unknown origin)
50008939	7	ChEMBL_1891135 (CHEMBL4392962)	Inhibition of CaV1.2 (unknown origin)
50008939	8	ChEMBL_1891130 (CHEMBL4392957)	Inhibition of Kir3.1 (unknown origin)
50008939	9	ChEMBL_1891132 (CHEMBL4392959)	Inhibition of Kv4.3 (unknown origin)
50008939	10	ChEMBL_1891131 (CHEMBL4392958)	Inhibition of Kir3.4 (unknown origin)
50008940	1	ChEMBL_1891140 (CHEMBL4392967)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation preincubated for 5 mins followed by xanthine addition and measured after 20 mins by spectrophotometry
50008944	1	ChEMBL_1891144 (CHEMBL4392971)	Inhibition of recombinant SIRT2 (unknown origin) using FAM-RHKK(Ac)LM as substrate measured after 60 mins by electrophoretic mobility shift assay
50008944	2	ChEMBL_1891143 (CHEMBL4392970)	Inhibition of recombinant SIRT2 (unknown origin) using RHKK(Ac)-MCA as substrate measured after 60 mins by fluorescence assay
50008945	1	ChEMBL_1891209 (CHEMBL4393036)	Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured after 60 mins by ADP-Glo luminescence assay
50008946	1	ChEMBL_1891240 (CHEMBL4393067)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method
50008946	2	ChEMBL_1891243 (CHEMBL4393070)	Displacement of [3H]-DTG from sigma2 receptor (unknown origin) after 120 mins in presence of sigma1 antagonist (+)-SKF10047 by microbeta scintillation counting method
50008946	3	ChEMBL_1891238 (CHEMBL4393065)	Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method
50008947	1	ChEMBL_1891245 (CHEMBL4393072)	Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galpha15 assessed as reduction in calcium mobilization incubated for 142 secs prior to glutamate addition for 120 secs followed by L-AP4 addition and measured after 40 secs by Fluo-4 AM dye based fluorescence assay
50008947	2	ChEMBL_1891253 (CHEMBL4393080)	Negative allosteric modulation of mGlu1 receptor (unknown origin)
50008947	3	ChEMBL_1891254 (CHEMBL4393081)	Negative allosteric modulation of mGlu2 receptor (unknown origin)
50008947	4	ChEMBL_1891255 (CHEMBL4393082)	Negative allosteric modulation of mGlu3 receptor (unknown origin)
50008947	5	ChEMBL_1891256 (CHEMBL4393083)	Negative allosteric modulation of mGlu4 receptor (unknown origin)
50008947	6	ChEMBL_1891259 (CHEMBL4393086)	Negative allosteric modulation of mGlu8 receptor (unknown origin)
50008947	7	ChEMBL_1891257 (CHEMBL4393084)	Negative allosteric modulation of mGlu5 receptor (unknown origin)
50008947	8	ChEMBL_1891258 (CHEMBL4393085)	Negative allosteric modulation of mGlu6 receptor (unknown origin)
50008948	1	ChEMBL_1891358 (CHEMBL4393185)	Inhibition of MMP2 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measured over 30 mins by fluorometric assay
50008948	2	ChEMBL_1891359 (CHEMBL4393186)	Inhibition of MMP9 (unknown origin) pre-incubated for 5 mins before Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate addition and measured over 30 mins by fluorometric assay
50008949	1	ChEMBL_1891371 (CHEMBL4393198)	Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain1 (unknown origin) measured after 60 mins by AlphaScreen assay
50008949	2	ChEMBL_1891373 (CHEMBL4393200)	Inhibition of biotinylated H4 K5,8,12,16Ac peptide binding to GST-tagged BRD4 bromodomain2 (unknown origin) measured after 60 mins by AlphaScreen assay
50008950	1	ChEMBL_1891399 (CHEMBL4393226)	Inhibition of C-terminal FLAG-tagged human KDM5A expressed in Sf9 cells pre-incubated for 4 hrs before substrate addition and measured after 1 hr by AlphaScreen assay
50008950	2	ChEMBL_1891401 (CHEMBL4393228)	Inhibition of C-terminal FLAG-tagged human KDM4A expressed in Escherichia coli pre-incubated for 4 hrs before substrate addition and measured after 1 hr by AlphaScreen assay
50008950	3	ChEMBL_1891403 (CHEMBL4393230)	Inhibition of C-terminal FLAG-tagged human KDM6B expressed in expressed in Sf9 cells pre-incubated for 4 hrs before substrate addition and measured after 1 hr by AlphaScreen assay
50008951	1	ChEMBL_1891417 (CHEMBL4393244)	Inhibition of human ERG by whole-cell patch clamp method
50008951	2	ChEMBL_1891418 (CHEMBL4393245)	Inhibition of recombinant human Cav3.1 expressed in HEK293 cells assessed as suppression of KCl-evoked current by whole-cell patch clamp method
50008951	3	ChEMBL_1891419 (CHEMBL4393246)	Inhibition of Cav3.2 (unknown origin) assessed as suppression of KCl-evoked current by whole-cell patch clamp method
50008955	1	ChEMBL_1891467 (CHEMBL4393294)	Inhibition of c-KIT (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	2	ChEMBL_1891470 (CHEMBL4393297)	Inhibition of c-MET (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	3	ChEMBL_1891464 (CHEMBL4393291)	Inhibition of FLT3 (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	4	ChEMBL_1891465 (CHEMBL4393292)	Inhibition of VEGFR2 (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	5	ChEMBL_1891468 (CHEMBL4393295)	Inhibition of c-SRC (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	6	ChEMBL_1891466 (CHEMBL4393293)	Inhibition of IGF1R (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008955	7	ChEMBL_1891469 (CHEMBL4393296)	Inhibition of EGFR (unknown origin) using FAM-labelled peptide as substrate measured after 10 mins by mobility shift assay
50008956	1	ChEMBL_1891476 (CHEMBL4393303)	Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay
50008956	2	ChEMBL_1891475 (CHEMBL4393302)	Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcriptional activity by luciferase reporter gene assay
50008956	3	ChEMBL_1891473 (CHEMBL4393300)	Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay
50008956	4	ChEMBL_1891474 (CHEMBL4393301)	Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activity by luciferase reporter gene assay
50008956	5	ChEMBL_1891481 (CHEMBL4393308)	Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by measuring dissociation constant for degradation by luciferase reporter gene assay relative to untreated control
50008957	1	ChEMBL_1891486 (CHEMBL4393313)	Binding affinity to MERS-CoV papain-like protease by SPR analysis
50008957	2	ChEMBL_1891482 (CHEMBL4393309)	Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and measured for 10 mins by fluorescence assay
50008957	3	ChEMBL_1891487 (CHEMBL4393314)	Competitive-inhibition of MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis
50008958	1	ChEMBL_1891529 (CHEMBL4393356)	Inhibition of human MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence assay
50008958	2	ChEMBL_1891530 (CHEMBL4393357)	Inhibition of human MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence assay
50008958	3	ChEMBL_1891527 (CHEMBL4393354)	Inhibition of human MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence assay
50008958	4	ChEMBL_1891528 (CHEMBL4393355)	Inhibition of human MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence assay
50008959	1	ChEMBL_1891536 (CHEMBL4393363)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50008959	2	ChEMBL_1891535 (CHEMBL4393362)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50008960	1	ChEMBL_1891538 (CHEMBL4393365)	Inhibition of AChE in erythrocytes (unknown origin) pre-incubated for 20 mins before acetylthiocholine substrate addition and measured over 30 mins by DTNB dye based spectrophotometry
50008961	1	ChEMBL_1891570 (CHEMBL4393397)	Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs by luciferase reporter gene assay
50008961	2	ChEMBL_1891571 (CHEMBL4393398)	Activation of human ERbeta assessed as induction of transcriptional activation by luciferase reporter gene assay
50008961	3	ChEMBL_1891573 (CHEMBL4393400)	Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs in presence of 100 uM H2O2 by luciferase reporter gene assay
50008961	4	ChEMBL_1891572 (CHEMBL4393399)	Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs in presence of 50 uM H2O2 by luciferase reporter gene assay
50008962	1	ChEMBL_1891585 (CHEMBL4393412)	Inhibition of human recombinant MAOA using kynuramine as substrate incubated for 10 mins by UPLC-ESI-MS/MS analysis
50008962	2	ChEMBL_1891586 (CHEMBL4393413)	Inhibition of human recombinant MAOB using kynuramine as substrate incubated for 10 mins by UPLC-ESI-MS/MS analysis
50008962	3	ChEMBL_1891584 (CHEMBL4393411)	Inhibition of mouse brain monoamine oxidase
50008963	1	ChEMBL_1891599 (CHEMBL4393426)	Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux by Calcium 4 assay
50008963	2	ChEMBL_1891594 (CHEMBL4393421)	Antagonistic activity against NK3R (unknown origin) expressed in CHO cells assessed as inhibition of NKB-induced intracellular calcium flux under UV-light irradiation by Calcium 4 assay
50008966	1	ChEMBL_1891621 (CHEMBL4393448)	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human Hep3B cells after 24 hrs in hypoxic condition by HRE-dependent dual luciferase reporter gene assay
50008967	1	ChEMBL_1891634 (CHEMBL4393461)	Transactivation of recombinant GAL4-fused human LXRalpha LBD (163 to 447 residues) expressed in human L02 cells measured after 24 hrs by luciferase reporter gene assay
50008967	2	ChEMBL_1891638 (CHEMBL4393465)	Inhibition of recombinant human SHP2 expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008967	3	ChEMBL_1891636 (CHEMBL4393463)	Inhibition of recombinant human TCPTP expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008967	4	ChEMBL_1891637 (CHEMBL4393464)	Inhibition of recombinant human SHP1 expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008967	5	ChEMBL_1891639 (CHEMBL4393466)	Inhibition of recombinant human MEG2 expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008967	6	ChEMBL_1891640 (CHEMBL4393467)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008967	7	ChEMBL_1891641 (CHEMBL4393468)	Inhibition of recombinant human IDO1 expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50008969	1	ChEMBL_1891704 (CHEMBL4393531)	Displacement of [3H]saxitoxin from NaV in rat brain membranes
50008970	1	ChEMBL_1891730 (CHEMBL4393557)	Inhibition of COX2 (unknown origin) assessed as reduction in prostaglandin E2 production incubated for 10 mins before arachidonic acid addition and measured after 25 mins by LC-MS/MS analysis
50008970	2	ChEMBL_1891729 (CHEMBL4393556)	Inhibition of ovine COX1 assessed as reduction in prostaglandin E2 production incubated for 10 mins before arachidonic acid addition and measured after 25 mins by LC-MS/MS analysis
50008971	1	ChEMBL_1891820 (CHEMBL4393647)	Inhibition of tyrosinase (unknown origin)
50008972	1	ChEMBL_1891828 (CHEMBL4393749)	Inhibition of HIV1 reverse transcriptase
50008972	2	ChEMBL_1891833 (CHEMBL4393754)	Inhibition of wild type recombinant HIV1 reverse transcriptase using poly(rA)-oligo(dT) as template/primer
50008972	3	ChEMBL_1891830 (CHEMBL4393751)	Inhibition of HIV1 reverse transcriptase derived from HIV patient plasma by LC/MS/MS analysis
50008972	4	ChEMBL_1891834 (CHEMBL4393755)	Inhibition of wild type recombinant HIV1 reverse transcriptase Y181C mutant using poly(rA)-oligo(dT) as template/primer
50008973	1	ChEMBL_1891852 (CHEMBL4393773)	Inhibition of N-terminal His-tagged truncated human PI3Kbeta (deltaN 1 to 108 residues) after 2 hrs in presence of [33P]ATP by BetaPlate liquid scintillation counting analysis
50008973	2	ChEMBL_1891855 (CHEMBL4393776)	Inhibition of mTOR (unknown origin)
50008973	3	ChEMBL_1891851 (CHEMBL4393772)	Inhibition of N-terminal His-tagged truncated human PI3Kgamma (deltaN 1 to 108 residues) after 2 hrs in presence of [33P]ATP by BetaPlate liquid scintillation counting analysis
50008973	4	ChEMBL_1891853 (CHEMBL4393774)	Inhibition of PI3Kbeta (unknown origin)
50008973	5	ChEMBL_1891854 (CHEMBL4393775)	Inhibition of PI3Kgamma (unknown origin)
50008973	6	ChEMBL_1891849 (CHEMBL4393770)	Inhibition of PI3Kdelta (unknown origin)
50008973	7	ChEMBL_1891848 (CHEMBL4393769)	Inhibition of PI3Kalpha (unknown origin)
50008977	1	ChEMBL_1891868 (CHEMBL4393789)	Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by microbeta scintillation counting method
50008977	2	ChEMBL_1891881 (CHEMBL4393802)	Inhibition of recombinant human CYP2D6 expressed in Escherichia coli using MAMC as substrate by fluorescence assay
50008977	3	ChEMBL_1891917 (CHEMBL4393838)	Inhibition of human KChip2.2 by Ion-work electrophysiology assay
50008977	4	ChEMBL_1891877 (CHEMBL4393798)	Inhibition of recombinant human CYP2C8 expressed in Escherichia coli using luciferin-ME as substrate by fluorescence assay
50008977	5	ChEMBL_1891906 (CHEMBL4393827)	Substrate activity at recombinant human OATP1B1 expressed in HEK293 cells assessed as reduction in pivastatin uptake
50008977	6	ChEMBL_1891913 (CHEMBL4393834)	Inhibition of human ERG by Ion-work assay
50008977	7	ChEMBL_1891915 (CHEMBL4393836)	Inhibition of human KCNE1 by Ion-work electrophysiology assay
50008977	8	ChEMBL_1891916 (CHEMBL4393837)	Inhibition of human Kv4.3 by Ion-work electrophysiology assay
50008977	9	ChEMBL_1891918 (CHEMBL4393839)	Inhibition of human NaV1.5 by Ion-work electrophysiology assay
50008977	10	ChEMBL_1891878 (CHEMBL4393799)	Inhibition of recombinant human CYP1A2 expressed in Escherichia coli using CEC as substrate by fluorescence assay
50008977	11	ChEMBL_1891879 (CHEMBL4393800)	Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using 7MFC as substrate by fluorescence assay
50008977	12	ChEMBL_1891880 (CHEMBL4393801)	Inhibition of recombinant human CYP2C19 expressed in Escherichia coli using CEC as substrate by fluorescence assay
50008977	13	ChEMBL_1891882 (CHEMBL4393803)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using BFC as substrate by fluorescence assay
50008977	14	ChEMBL_1891910 (CHEMBL4393831)	Inhibition of recombinant human BSEP expressed in baculovirus infected Sf21 insect cell vesicles assessed as reduction in NBD-taurocholate uptake by fluorescence assay
50008977	15	ChEMBL_1891914 (CHEMBL4393835)	Inhibition of human Kv7.1 by Ion-work electrophysiology assay
50008977	16	ChEMBL_1891920 (CHEMBL4393841)	Inhibition of human Cav3.2 by Ion-work electrophysiology assay
50008977	17	ChEMBL_1891921 (CHEMBL4393842)	Inhibition of human Kv1.5 by Ion-work electrophysiology assay
50008977	18	ChEMBL_1891909 (CHEMBL4393830)	Inhibition of Sprague-Dawley rat Mrp2 expressed in baculovirus infected Sf21 insect cell vesicles assessed as reduction in CDF uptake by fluorescence assay
50008977	19	ChEMBL_1891919 (CHEMBL4393840)	Inhibition of human HCN4 by Ion-work electrophysiology assay
50008978	1	ChEMBL_1892111 (CHEMBL4394032)	Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHOK1 cells after 1 hr by microbeta scintillation counting method
50008978	2	ChEMBL_1892112 (CHEMBL4394033)	Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting method
50008978	3	ChEMBL_1892113 (CHEMBL4394034)	Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting method
50008978	4	ChEMBL_1892114 (CHEMBL4394035)	Displacement of [3H] raclopride from human recombinant D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting method
50008978	5	ChEMBL_1892110 (CHEMBL4394031)	Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting method
50008978	6	ChEMBL_1892125 (CHEMBL4394046)	Inhibition of human CYP3A4 measured after 30 mins in presence of NADPH regeneration system by luminescent CYP3A4 P450-Glo assay
50008979	1	ChEMBL_1892191 (CHEMBL4394112)	Inhibition of CDK1/cyclinB (unknown origin)
50008979	2	ChEMBL_1892158 (CHEMBL4394079)	Inhibition of bee venom phospholipase A2 preincubated for 1 hr followed by addition of phosphotidylcholine and 1-palmitoyl-2-(1-14C) palmitoyl further incubated for 10 mins and measured after 15 secs by scintillation counting method
50008979	3	ChEMBL_1892159 (CHEMBL4394080)	Inhibition of human COX2 expressed in human osteosarcoma cells assessed as reduction in PGE2 release
50008979	4	ChEMBL_1892161 (CHEMBL4394082)	Inhibition of COX2 in human whole blood assessed as reduction in PGE2 formation preincubated for 15 mins followed by addition of LPS and measured after 24 hrs by radioimmunoassay
50008979	5	ChEMBL_1892163 (CHEMBL4394084)	Inhibition of recombinant human COX2 expressed in baculovirus infected Sf9 cells
50008979	6	ChEMBL_1892165 (CHEMBL4394086)	Inhibition of mouse COX-2 in LPS-induced mouse peritoneal macrophage assessed as reduction in PGE2 release incubated for 2 hrs by ELISA
50008979	7	ChEMBL_1892169 (CHEMBL4394090)	Inhibition of ovine COX2 assessed as reduction in PGF2alpha production incubated for 15 mins by ELISA method
50008979	8	ChEMBL_1892171 (CHEMBL4394092)	Inhibition of COX2 in rabbit whole blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by compound addition and incubated for 6 or 24 hrs by EIA method
50008979	9	ChEMBL_1892247 (CHEMBL4394168)	Inhibition of tyrosinase (unknown origin) assessed as reduction in melanin formation
50008979	10	ChEMBL_1892251 (CHEMBL4394172)	Inhibition of bee venom phospholipase A2
50008979	11	ChEMBL_1892193 (CHEMBL4394114)	Inhibition of GSK3alpha/beta (unknown origin)
50008979	12	ChEMBL_1892160 (CHEMBL4394081)	Inhibition of human COX2 expressed in CHO cells cells assessed as reduction in PGE2 release
50008979	13	ChEMBL_1892170 (CHEMBL4394091)	Inhibition of COX2 in guinea pig blood assessed as reduction of LPS-induced PGE2 accumulation at 10 to 10000 nM preincubated with LPS followed by compound addition and incubated for 6 or 24 hrs by EIA method
50008979	14	ChEMBL_1892192 (CHEMBL4394113)	Inhibition of CDK5/p25 (unknown origin)
50008980	1	ChEMBL_1892258 (CHEMBL4394179)	Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition for 30 secs and measured after 1 hr by microplate reader based enzyme immunoassay
50008980	2	ChEMBL_1892259 (CHEMBL4394180)	Inhibition of human recombinant COX-2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition for 30 secs and measured after 1 hr by microplate reader based enzyme immunoassay
50008982	1	ChEMBL_1892332 (CHEMBL4394253)	Displacement of BODIPY-Cyclopamine from human HA-tagged Smo receptor expressed in human U2OS cells at 1 to 10000 nM incubated for 2 hrs by DAPI staining based fluorescence microscopic method
50008982	2	ChEMBL_1892331 (CHEMBL4394252)	Antagonist activity at Smo receptor in mouse NIH/3T3 cells harboring GRE-Luc assessed as inhibition of SAG-induced Hh signaling pathway preincubated with cells followed by SAG addition measured after 48 hrs by luciferase reporter gene assay
50008982	3	ChEMBL_1892322 (CHEMBL4394243)	Inhibition of human ERG by patch clamp method
50008983	1	ChEMBL_1892468 (CHEMBL4394389)	Inhibition of BCRP (unknown origin) in MDCK-MDR1 assessed as inhibtion of hoechst 33342 transport incubated for 30 mins by fluorescence assay
50008983	2	ChEMBL_1892466 (CHEMBL4394387)	Inhibition of P-glycoprotein (unknown origin) in MDCK-MDR1 assessed as inhibtion of calcein-AM transport incubated for 30 mins by fluorescence assay
50008983	3	ChEMBL_1892467 (CHEMBL4394388)	Inhibition of MRP1 (unknown origin) in MDCK-MDR1 assessed as inhibtion of calcein-AM transport incubated for 30 mins by fluorescence assay
50008984	1	ChEMBL_1892471 (CHEMBL4394392)	Inhibition of HCV NS5B RNA-dependent RNA polymerase activity assessed as reduction in radiolabeled-UTP incorporation into RNA using cIRES template measured after 2 hrs by microscintillation counting method
50008985	1	ChEMBL_1892502 (CHEMBL4394423)	Inhibition of human PD1/PDL1 protein-protein interaction after 15 mins by HTRF assay
50008986	1	ChEMBL_1892509 (CHEMBL4394430)	Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay
50008986	2	ChEMBL_1892520 (CHEMBL4394441)	Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of biotinylated co-activator SRC1-4 peptide recruitment by alphascreen assay
50008986	3	ChEMBL_1892512 (CHEMBL4394433)	Inverse agonist activity at Gal4-fused RORalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay
50008986	4	ChEMBL_1892515 (CHEMBL4394436)	Inverse agonist activity at Gal4-fused FXR LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay
50008986	5	ChEMBL_1892521 (CHEMBL4394442)	Binding affinity to human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50008986	6	ChEMBL_1892517 (CHEMBL4394438)	Agonist activity at Gal4-fused LXRalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay
50008986	7	ChEMBL_1892518 (CHEMBL4394439)	Agonist activity at Gal4-fused FXR LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assay
50008987	1	ChEMBL_1892552 (CHEMBL4394473)	Partial agonist activity at human Gi/o-coupled D2R expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation preincubated for 15 mins followed by isoproterenol-stimulation and measured by Glosensor-based luminescence assay
50008987	2	ChEMBL_1892555 (CHEMBL4394476)	Partial agonist activity at D2L receptor (unknown origin) expressed in human HTLA cells assessed as beta-arrestin2 recruitment after 20 to 22 hrs by brightglo-luciferase reporter gene assay
50008987	3	ChEMBL_1892559 (CHEMBL4394480)	Partial agonist activity at human D2L receptor expressed in HEK293T cells co-expressing N-terminal venus-tagged beta-arrestin2 assessed as beta-arrestin2 recruitment after 15 mins in presence of coelenterazine H by BRET assay
50008987	4	ChEMBL_1892561 (CHEMBL4394482)	Partial agonist activity at human D2L receptor expressed in HEK293T cells co-expressing Galpahi1/Gbeta1/GFP2-Ggamma2 assessed as Galphai1 dissociation after 15 mins in presence of coelenterazine 400a by luciferase reporter gene assay
50008987	5	ChEMBL_1892558 (CHEMBL4394479)	Antagonist activity at D2L receptor (unknown origin) expressed in human HTLA cells assessed as inhibition of dopamine-stimulated beta-arrestin2 recruitment measured after 20 to 22 hrs by brightglo-luciferase reporter gene assay
50008988	1	ChEMBL_1892581 (CHEMBL4394502)	Inhibition of 20S proteasome beta5 subunit in human RPMI8226 cell lysate using Suc-LLVY-AMC as substrate pretreated for 1 hr followed by substrate addition and measured at 1 min interval by fluorescence assay
50008988	2	ChEMBL_1892570 (CHEMBL4394491)	Inhibition of purified human 20S immunoproteasome beta1 subunit using Ac-Pro-Ala-Leu-AMC as substrate pretreated for 1 hr followed by substrate addition and measured at 1 min interval by fluorescence assay
50008990	1	ChEMBL_1892587 (CHEMBL4394508)	Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stimulation by sandwich-ELISA
50008990	2	ChEMBL_1892588 (CHEMBL4394509)	Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay
50008990	3	ChEMBL_1892585 (CHEMBL4394506)	Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method
50008990	4	ChEMBL_1892586 (CHEMBL4394507)	Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method
50008990	5	ChEMBL_1892624 (CHEMBL4394545)	Binding affinity to wild-type human partial length TNK2 (S159 to D474 residues) expressed in bacterial expression system by Kinomescan method
50008990	6	ChEMBL_1892620 (CHEMBL4394541)	Binding affinity to wild-type human partial length RET (E713 to D1014 residues) expressed in bacterial expression system by Kinomescan method
50008990	7	ChEMBL_1892622 (CHEMBL4394543)	Binding affinity to wild-type human full length SIK2 (M1 to N926 residues) expressed in bacterial expression system by Kinomescan method
50008990	8	ChEMBL_1892623 (CHEMBL4394544)	Binding affinity to wild-type human partial length PRKD2 (A519 to E838 residues) expressed in bacterial expression system by Kinomescan method
50008990	9	ChEMBL_1892621 (CHEMBL4394542)	Binding affinity to wild-type human ABL2 (A248 to G542 residues) expressed in bacterial expression system by Kinomescan method
50008990	10	ChEMBL_1892625 (CHEMBL4394546)	Binding affinity to wild-type human ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinomescan method
50008991	1	ChEMBL_1892644 (CHEMBL4394565)	Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
50008991	2	ChEMBL_1892631 (CHEMBL4394552)	Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis
50008991	3	ChEMBL_1892630 (CHEMBL4394551)	Antagonist activity at CXCR4 receptor in human SupT1 cells assessed as inhibition of SDF-1alpha-induced chemotaxis at preincubated for 2 hrs followed by SDF-1alpha-induction and measured after 3 hrs by CellTiter-Blue assay
50008992	1	ChEMBL_1892788 (CHEMBL4394709)	Inhibition of BLK (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	2	ChEMBL_1892779 (CHEMBL4394700)	Inhibition of AMPKalpha1beta1gamma1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	3	ChEMBL_1892776 (CHEMBL4394697)	Inhibition of recombinant human N-terminal GST-tagged CHK1 (M1 to T476 residues) expressed in baculovirus infected insect cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	4	ChEMBL_1892790 (CHEMBL4394711)	Inhibition of LYN (unknown origin) incubated for 60 mins by HTRF assay
50008992	5	ChEMBL_1892789 (CHEMBL4394710)	Inhibition of LCK (unknown origin) incubated for 60 mins by HTRF assay
50008992	6	ChEMBL_1892787 (CHEMBL4394708)	Inhibition of recombinant human C-terminal His-tagged FLT3 (M1 to N541 residues) expressed in HEK293 cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	7	ChEMBL_1892785 (CHEMBL4394706)	Inhibition of PKCepsilon (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	8	ChEMBL_1892784 (CHEMBL4394705)	Inhibition of p70S6K (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	9	ChEMBL_1892783 (CHEMBL4394704)	Inhibition of CDK2 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	10	ChEMBL_1892781 (CHEMBL4394702)	Inhibition of PIM3 (unknown origin) incubated for 60 mins using biotin-labelled STK substrate-1 as substrate by HTRF assay
50008992	11	ChEMBL_1892808 (CHEMBL4394729)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp assay
50008992	12	ChEMBL_1892777 (CHEMBL4394698)	Inhibition of recombinant human N-terminal GST-tagged CHK2 (M1 to L543 residues) expressed in baculovirus infected insect cells using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	13	ChEMBL_1892780 (CHEMBL4394701)	Inhibition of recombinant human full length N-terminal His-tagged PIM1 (1 to 313 residues) expressed in baculovirus expression system using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008992	14	ChEMBL_1892782 (CHEMBL4394703)	Inhibition of CDK1 (unknown origin) using biotin-labelled STK substrate-1 as substrate incubated for 60 mins by HTRF assay
50008994	1	ChEMBL_1892820 (CHEMBL4394741)	Inhibition of FD-mediated alternative complementation pathway in 50% human whole blood assessed as reduction in zymosan-induced membrane-attack complex formation preincubated for 15 mins followed by zymosan stimulation and measured after 40 mins by ELISA
50008994	2	ChEMBL_1892822 (CHEMBL4394743)	Inhibition of F11a (unknown origin)
50008994	3	ChEMBL_1892823 (CHEMBL4394744)	Inhibition of tryptase-beta2 (unknown origin)
50008994	4	ChEMBL_1892815 (CHEMBL4394736)	Inhibition of 2-((1E,3E,5E)-5-(1-(6-((((3S,5S)-1-((1-carbamoyl-1H-indol-3-yl)carbamoyl)-5-((3-chloro-2-fluorobenzyl)carbamoyl)-3-fluoropyrrolidin-3-yl)methyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium binding to biotin-labeled recombinant human FD expressed in Escherichia coli measured after 2 hrs by TR-FRET assay
50008994	5	ChEMBL_1892824 (CHEMBL4394745)	Inhibition of urokinase (unknown origin)
50008995	1	ChEMBL_1892855 (CHEMBL4394776)	Inhibition of purified Escherichia coli BL21 (DE3) tyrRS incubated for 10 mins in presence of 14C-labeled tyrosine by radiolabel transfer assay
50008995	2	ChEMBL_1892858 (CHEMBL4394779)	Inhibition of purified Escherichia coli BL21 (DE3) ileRS incubated for 10 mins in presence of 14C-labeled isoleucine by radiolabel transfer assay
50008995	3	ChEMBL_1892859 (CHEMBL4394780)	Inhibition of purified Escherichia coli BL21 (DE3) leuRS incubated for 10 mins in presence of 14C-labeled leucine by radiolabel transfer assay
50008996	1	ChEMBL_1892882 (CHEMBL4394803)	Antagonist activity at recombinant human Gi-coupled H3 receptor expressed in HEK293T cells assessed as reduction in histamine-induced inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 to 15 followed by histamine addition for 10 mins and subsequent forskolin-stimulation by Glo-sensor assay
50008996	2	ChEMBL_1892967 (CHEMBL4394888)	Displacement of [3H]N-alpha-methylhistamine from recombinant human H3 receptor expressed in HEK293T cells measured after 90 mins by liquid scintillation counting method
50008996	3	ChEMBL_1892881 (CHEMBL4394802)	Agonist activity at recombinant human Gs-coupled H2 receptor expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 to 15 followed by forskolin-stimulation by Glo-sensor assay
50008996	4	ChEMBL_1892947 (CHEMBL4394868)	Inhibition of tracer Red binding to human ERG expressed in membranes after 3 hrs by fluorescence polarization assay
50008996	5	ChEMBL_1892968 (CHEMBL4394889)	Displacement of [I125]bolton hunter-CCK-8S from recombinant human CCK1 receptor expressed in stable CHO cells measured after 1 to 2 hrs by microscintillation counting method
50008997	1	ChEMBL_1892973 (CHEMBL4394894)	Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by pyruvate kinase-lactate dehydrogenase coupled UV-vis spectrophotometric method
50008997	2	ChEMBL_1892980 (CHEMBL4394901)	Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by pyruvate kinase-lactate dehydrogenase-coupled UV-vis spectrophotometric assay
50008997	3	ChEMBL_1892974 (CHEMBL4394895)	Inhibition of purified human adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deaminase inhibitor deoxycoformycin by Line-weaver burk plot analysis
50008997	4	ChEMBL_1892975 (CHEMBL4394896)	Inhibition of Mycobacterium tuberculosis H37Ra ATCC 25177 adenosine kinase using varying levels of [3H]Ado as substrate in presence of adenosine deaminase inhibitor deoxycoformycin by Line-weaver burk plot analysis
50008998	1	ChEMBL_1893016 (CHEMBL4394937)	Inhibition of human recombinant His-tagged HDAC1 (482 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS SIRT1 as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method
50008998	2	ChEMBL_1893017 (CHEMBL4394938)	Inhibition of human recombinant His-tagged HDAC2 (1 to 582 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS Green as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method
50008998	3	ChEMBL_1893001 (CHEMBL4394922)	Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus infected insect cells using FLUOR DE LYS SIRT1 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence method
50008998	4	ChEMBL_1893047 (CHEMBL4394968)	Inhibition of HDAC in human HeLa cell nuclear extract using fluor-de-lys-green as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009000	1	ChEMBL_1893114 (CHEMBL4395035)	Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated for 8 mins followed by substrate addition by UV absorption analysis
50009001	1	ChEMBL_1893127 (CHEMBL4395048)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured every minute for 5 mins by Ellman's method
50009001	2	ChEMBL_1893134 (CHEMBL4395055)	Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 mins by Dixon plot analysis
50009001	3	ChEMBL_1893128 (CHEMBL4395049)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 5 mins by Ellman's method
50009003	1	ChEMBL_1893171 (CHEMBL4395092)	Inhibition of PDE4D2 (unknown origin) using cAMP as substrate preincubated with enzyme for 15 mins followed by substrate addition and incubated for 1 hr by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50009003	2	ChEMBL_1893169 (CHEMBL4395090)	Inhibition of recombinant His-tagged human PDE4B expressed in Sf9 cells using cAMP as substrate preincubated with enzyme for 15 mins followed by substrate addition and incubated for 1 hr by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50009003	3	ChEMBL_1893245 (CHEMBL4395166)	Inhibition of PDE4B (unknown origin)
50009003	4	ChEMBL_1893241 (CHEMBL4395162)	Inhibition of PDE4D (unknown origin)
50009003	5	ChEMBL_1893168 (CHEMBL4395089)	Inhibition of recombinant His-tagged PDE4B (unknown origin) expressed in Sf9 cells using cAMP as substrate preincubated for 15 mins followed by substrate addition and incubated for 1 hr by PDELight HTS cAMP phosphodiesterase Kit based luminometry
50009004	1	ChEMBL_1893316 (CHEMBL4395237)	Displacement of [3H]-DTG from sigma2 receptor (unknown origin) incubated for 120 mins by scintillation counting method
50009004	2	ChEMBL_1893315 (CHEMBL4395236)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 150 mins by scintillation counting method
50009006	1	ChEMBL_1893379 (CHEMBL4395300)	Inhibition of recombinant Escherichia coli BL21(DE3) isoleucyl-tRNA synthetase expressed in Escherichia coli Rosetta 2 (DE3) assessed as reduction in tRNA aminoacylation preincubated for 10 mins in presence of [14C]-isoleucin and tRNA followed by ATP addition and measured after 6 mins by scintillation counting method
50009007	1	ChEMBL_1893455 (CHEMBL4395376)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50009007	2	ChEMBL_1893454 (CHEMBL4395375)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellman's method
50009007	3	ChEMBL_1893460 (CHEMBL4395381)	Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs by thioflavin-T fluorescence assay
50009008	1	ChEMBL_1893503 (CHEMBL4395424)	Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay
50009008	2	ChEMBL_1893504 (CHEMBL4395425)	Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay
50009008	3	ChEMBL_1893502 (CHEMBL4395423)	Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay
50009008	4	ChEMBL_1893501 (CHEMBL4395422)	Inhibition of human carbonic anhydrase 1 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay
50009011	1	ChEMBL_1893572 (CHEMBL4395493)	Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs in presence of AMP-DNM by fluorescence based assay
50009011	2	ChEMBL_1893570 (CHEMBL4395491)	Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs in presence of conduritol B epoxide by fluorescence based assay
50009015	1	ChEMBL_1893591 (CHEMBL4395512)	Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 mins by malachite green dye based pyrophosphatase coupled colorimetric assay
50009015	2	ChEMBL_1893593 (CHEMBL4395514)	Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isothermal titration calorimetry
50009015	3	ChEMBL_1893594 (CHEMBL4395515)	Inhibition of BACE1 (unknown origin) using HiLyte Fluo488/QXL-520 as substrate by FRET assay
50009015	4	ChEMBL_1893595 (CHEMBL4395516)	Inhibition of fluorescently labeled tracer binding to human ERG by competitive binding assay
50009016	1	ChEMBL_1893678 (CHEMBL4395599)	Inhibition of 5-LOX (unknown origin)
50009016	2	ChEMBL_1893677 (CHEMBL4395598)	Inhibition of ICAM-1 in human A549 cells after 1 hr in presence of IL-1beta
50009016	3	ChEMBL_1893679 (CHEMBL4395600)	Inhibition of 5-LOX in polymorphonuclear leucocytes (unknown origin)
50009016	4	ChEMBL_1893680 (CHEMBL4395601)	Agonist activity at GAL4- fused PPARgamma LBD (unknown origin) expressed in African green monkey COS7 cells by luciferase reporter gene assay
50009018	1	ChEMBL_1893723 (CHEMBL4395644)	Inhibition of recombinant wild-type HIV1 3B reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(rA)/oligo(dT)16 as template primer incubated for 1 hr followed by the addition of (DIG)-dUTP and biotin-labeled dNTPs by ELISA
50009020	1	ChEMBL_1893918 (CHEMBL4395839)	Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA
50009020	2	ChEMBL_1893920 (CHEMBL4395841)	Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed by substrate and 25 uM ATP addition measured after 60 mins by ADP-Glo luminescence assay
50009020	3	ChEMBL_1893921 (CHEMBL4395842)	Inhibition of human recombinant full length GSK3alpha using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed by substrate and 25 uM ATP addition measured after 60 mins by ADP-Glo luminescence assay
50009020	4	ChEMBL_1893923 (CHEMBL4395844)	Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed by substrate and 100 uM ATP addition measured after 60 mins by ADP-Glo luminescence assay
50009020	5	ChEMBL_1893996 (CHEMBL4395917)	Inhibition of human recombinant p38alpha MAPK using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate measured after 30 mins by LANCE assay relative to control
50009020	6	ChEMBL_1893924 (CHEMBL4395845)	Competitive inhibition of human recombinant full length GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated with enzyme for 10 mins followed by substrate and 500 uM ATP addition measured after 60 mins by ADP-Glo luminescence assay
50009021	1	ChEMBL_1893997 (CHEMBL4395918)	Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay
50009022	1	ChEMBL_1894101 (CHEMBL4396022)	Inhibition of human N-terminal GST-tagged VEGFR2 cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system using Ulight-JAK-1(Tyr1023) peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by spectrometric method
50009023	1	ChEMBL_1894113 (CHEMBL4396034)	Inhibition of recombinant LSD1 (unknown origin) (catalytic domain 157 to 852 residues) expressed in Escherichia coli BL21 using H3K4me1 as substrate incubated for 1 hr by horse-radish peroxidase/amplex red-based fluorescence method
50009023	2	ChEMBL_1894116 (CHEMBL4396037)	Binding affinity to LSD1 (unknown origin) assessed as dissociation constant by SPR assay
50009024	1	ChEMBL_1894188 (CHEMBL4396109)	Inhibition of human EGFR measured after 3 hrs by ELISA
50009025	1	ChEMBL_1894257 (CHEMBL4396178)	Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method
50009025	2	ChEMBL_1894259 (CHEMBL4396180)	Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay
50009025	3	ChEMBL_1894256 (CHEMBL4396177)	Displacement of [125I]NKA from human recombinant NK2 receptor measured after 60 mins by scintillation counter method
50009025	4	ChEMBL_1894258 (CHEMBL4396179)	Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method
50009025	5	ChEMBL_1894260 (CHEMBL4396181)	Displacement of [3H] mesulergine from human recombinant 5-HT2C receptor measured after 120 mins by scintillation counter method
50009025	6	ChEMBL_1894262 (CHEMBL4396183)	Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method
50009026	1	ChEMBL_1894311 (CHEMBL4396232)	Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as substrate incubated for 10 mins
50009026	2	ChEMBL_1894310 (CHEMBL4396231)	Inhibition of human LDHA expressed in Escherichia coli BL21 (DE3) using sodium pyruvate as substrate by Lineweaver-Burk plot method
50009027	1	ChEMBL_1894368 (CHEMBL4396289)	Inhibition of KOR (unknown origin)
50009027	2	ChEMBL_1894400 (CHEMBL4396321)	Binding affinity to sigma2 receptor in rat liver membranes incubated for 120 mins by liquid scintillation counting method
50009027	3	ChEMBL_1894364 (CHEMBL4396285)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting method
50009027	4	ChEMBL_1894365 (CHEMBL4396286)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method
50009027	5	ChEMBL_1894366 (CHEMBL4396287)	Displacement of [3H]DAMGO from human MOR expressed in CHO-K1 cells membranes after 60 mins by micro beta scintillation counting method
50009027	6	ChEMBL_1894367 (CHEMBL4396288)	Inhibition of DOR (unknown origin)
50009027	7	ChEMBL_1894369 (CHEMBL4396290)	Agonist activity at MOR (unknown origin) by cAMP assay
50009027	8	ChEMBL_1894370 (CHEMBL4396291)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp electrophysiology assay
50009027	9	ChEMBL_1894391 (CHEMBL4396312)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 180 mins by scintillation counting method
50009027	10	ChEMBL_1894392 (CHEMBL4396313)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 180 mins by scintillation counting method
50009027	11	ChEMBL_1894398 (CHEMBL4396319)	Binding affinity to GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes incubated for 120 mins by scintillation counting method
50009027	12	ChEMBL_1894399 (CHEMBL4396320)	Binding affinity to sigma1 receptor in Hartley guinea pig brain cortex membranes incubated for 150 mins by liquid scintillation counting method
50009028	1	ChEMBL_1894490 (CHEMBL4396411)	Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 secs by fluorescence quenching assay
50009028	2	ChEMBL_1894491 (CHEMBL4396412)	Binding affinity to purified Nur77 LBD (unknown origin) by SPR analysis
50009030	1	ChEMBL_1894505 (CHEMBL4396426)	Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry
50009030	2	ChEMBL_1894554 (CHEMBL4396475)	Inhibition of human ERG expressed in CHO cells incubated for 1 min at -80 mV holding potential by manual patch clamp assay
50009031	1	ChEMBL_1894562 (CHEMBL4396483)	Mixed inhibition of electric eel AChE using acetylcholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 30 mins by Lineweaver-Burk plot analysis
50009031	2	ChEMBL_1894571 (CHEMBL4396492)	Mixed inhibition of electric eel AChE using butyrylcholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 30 mins Dixon/Cornish-Bowden plot analysis
50009033	1	ChEMBL_1894599 (CHEMBL4396520)	Inhibition of alpha-glucosidase (unknown origin) using PNP glucoside as substrate preincubated for 30 mins followed by substrate addition further incubated for 1 min by spectrophotometry
50009034	1	ChEMBL_1894669 (CHEMBL4396590)	Inhibition of equine serum BChE using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured upto 5 mins by Ellman's method
50009034	2	ChEMBL_1894666 (CHEMBL4396587)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured upto 5 mins by Ellman's method
50009034	3	ChEMBL_1894672 (CHEMBL4396593)	Inhibition of human BChE using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured upto 5 mins by Ellman's method
50009034	4	ChEMBL_1894671 (CHEMBL4396592)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured upto 5 mins by Ellman's method
50009034	5	ChEMBL_1894670 (CHEMBL4396591)	Mixed type inhibition of equine serum BChE assessed as Ki using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured upto 5 mins by Ellman's method based Lineweaver-Burk plot analysis
50009035	1	ChEMBL_1894684 (CHEMBL4396605)	Inhibition of bovine brain tubulin polymerization measured every 1 min for 60 mins by turbidimetric assay
50009036	1	ChEMBL_1894753 (CHEMBL4396674)	Inhibition of human recombinant N-HA--tagged carbonic anhydrase 12 expressed in HEK293T cells using p-nitrophenyl acetate as substrate measured after 30 mins by colorimetric analysis
50009036	2	ChEMBL_1894749 (CHEMBL4396670)	Inhibition of human recombinant N-HA-tagged carbonic anhydrase 2 expressed in HEK293T cells using p-nitrophenyl acetate as substrate measured after 30 mins by colorimetric analysis
50009037	1	ChEMBL_1894768 (CHEMBL4396689)	Binding affinity to influenza A virus hemagglutin by surface plasmon resonance assay
50009038	1	ChEMBL_1894779 (CHEMBL4396700)	Agonist activity at full length human FLAG-tagged GAL4-DBD fused PPARalpha LBD (168 to 468 residues) expressed in COS1 cells measured after 18 hrs by dual luciferase reporter gene assay
50009038	2	ChEMBL_1894780 (CHEMBL4396701)	Agonist activity at full length human FLAG-tagged GAL4-DBD fused PPARgamma LBD (205 to 505 residues) expressed in COS1 cells measured after 18 hrs by dual luciferase reporter gene assay
50009039	1	ChEMBL_1894857 (CHEMBL4396778)	Inhibition of human chymotrypsin-like activity of 20S proteasome using Suc-LLVY-AMC as substrate pre-incubated for 10 mins followed by substrate addition and measured after 1 hr by spectrofluorimetry
50009039	2	ChEMBL_1894872 (CHEMBL4396793)	Inhibition of human ERG in HEK293 cells assessed as effect on QT interval
50009043	1	ChEMBL_1894881 (CHEMBL4396802)	Inhibition of human neutrophil elastase using AAPV-pNA as substrate preincubated for 15 mins followed by substrate addition and measured every 15 secs for 5 mins
50009043	2	ChEMBL_1894882 (CHEMBL4396803)	Inhibition of human trypsin using Nalpha-benzoyl-DL-R-pNA as substrate preincubated for 15 mins followed by substrate addition and measured every 15 secs for 5 mins
50009046	1	ChEMBL_1894941 (CHEMBL4396862)	Inhibition of HDAC in human HeLA cell nuclear extracts
50009046	2	ChEMBL_1894898 (CHEMBL4396819)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50009046	3	ChEMBL_1894899 (CHEMBL4396820)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50009046	4	ChEMBL_1894894 (CHEMBL4396815)	Inhibition of HDAC8 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50009047	1	ChEMBL_1894958 (CHEMBL4396993)	Inhibition of VHL (unknown origin) by fluorescence polarization assay
50009047	2	ChEMBL_1894961 (CHEMBL4396996)	Inhibition of FIH (unknown origin)
50009047	3	ChEMBL_1894960 (CHEMBL4396995)	Binding affinity to VHL (unknown origin)
50009047	4	ChEMBL_1894957 (CHEMBL4396992)	Inhibition of HIF-1alpha in human HeLa cells after 6 hrs by luciferase reporter gene assay
50009047	5	ChEMBL_1894956 (CHEMBL4396991)	Inhibition of HIF-1alpha in human U373 cells
50009047	6	ChEMBL_1894954 (CHEMBL4396989)	Binding affinity to p300 (unknown origin)
50009047	7	ChEMBL_1894952 (CHEMBL4396987)	Inhibition of GST-tagged p300 (unknown origin)/CBP (unknown origin) protein-protein interaction by fluorescence polarization assay
50009047	8	ChEMBL_1894949 (CHEMBL4396984)	Inhibition of N-terminal biotinylated HIF-1alpha (786 to 826 residues) (unknown origin)/GST-tagged p300-CH1 domain (unknown origin) protein-protein interaction after 2 hrs by time-resolved fluoroimmunoassay
50009047	9	ChEMBL_1894959 (CHEMBL4396994)	Inhibition of human PHD2
50009047	10	ChEMBL_1894953 (CHEMBL4396988)	Inhibition of GST-tagged p300 (unknown origin)/CBP (unknown origin) protein-protein interaction
50009047	11	ChEMBL_1894951 (CHEMBL4396986)	Inhibition of HIF-1alpha- CTAD domain (unknown origin)/p300-CH1 domain (unknown origin) protein-protein interaction
50009047	12	ChEMBL_1894955 (CHEMBL4396990)	Binding affinity to p300-CH1 domain (unknown origin)
50009049	1	ChEMBL_1895022 (CHEMBL4397057)	Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and manganese as co-facor preincubated for 15 mins followed by substrate addition and measured after 45 mins by AAO/horse radish peroxidase enzyme coupled assay
50009049	2	ChEMBL_1895047 (CHEMBL4397082)	Inhibition of recombinant human N-terminal His-tagged MetAP2 expressed in baculovirus infected BTI-TN-5B1-4 insect cells using Met-Pro-pNA as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins
50009049	3	ChEMBL_1895024 (CHEMBL4397059)	Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and cobalt as co-facor preincubated for 15 mins followed by substrate addition and measured after 45 mins by AAO/horse radish peroxidase enzyme coupled assay
50009049	4	ChEMBL_1895044 (CHEMBL4397079)	Inhibition of recombinant human MetAP2 using Met-Ala-Ser as substrate measured at 20 secs interval for 20 mins by AAO/horse radish peroxidase enzyme coupled chromogenic assay
50009052	1	ChEMBL_1895051 (CHEMBL4397086)	Activation of Tat-mediated HIV1 transcription in HEK293- FlpIn-FM cells harboring LTR driven CBR reporter co-expressing CMV driven CBG reporter assessed as LTR-driven gene expression incubated for 48 hr using Chroma-Glo substrate by luciferase dual reporter cellular assay
50009052	2	ChEMBL_1895052 (CHEMBL4397087)	Activation of Tat-mediated HIV1 transcription in HEK293-FlpIn.RV cells harboring LTR driven CBG reporter co-expressing CMV driven CBR reporter assessed as LTR-driven gene expression incubated for 48 hr using Chroma-Glo substrate by luciferase dual reporter cellular assay
50009052	3	ChEMBL_1895070 (CHEMBL4397105)	Activation of Tat-mediated HIV1 transcription in J-Lat 10.6 cells harboring LTR driven GFP reporter co-expressing CMV driven RFP reporter assessed as LTR-driven gene expression incubated for 48 hr by FACSCalibur flow cytometry
50009052	4	ChEMBL_1895072 (CHEMBL4397107)	Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using H4 peptide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 1 hr by alpha screen assay relative to control
50009052	5	ChEMBL_1895086 (CHEMBL4397121)	Inhibition of C-terminal GST-tagged human SET1B (1629 to 1923 amino acids) expressed in Escherichia coli using core histone as substrate in presence of WDR5 (22 to 334 amino acids),RbBP5 (1 to 538 amino acids),Ash2L (2 to 534 amino acids),DPY-30 (1 to 99 amino acids) by fluorescence method
50009052	6	ChEMBL_1895073 (CHEMBL4397108)	Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using H4 peptide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 1 hr by alpha screen assay relative to control
50009053	1	ChEMBL_1895110 (CHEMBL4397145)	Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incubated for 10 mins followed by ATP addition and measured after 60 mins by HTRF method
50009053	2	ChEMBL_1895112 (CHEMBL4397147)	Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mins by sandwich ELISA
50009053	3	ChEMBL_1895111 (CHEMBL4397146)	Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incubated for 5 mins followed by ATP addition and measured after 60 mins by alpha screen assay
50009053	4	ChEMBL_1895115 (CHEMBL4397150)	Inhibition of human FAK kinase domain (411 to 686 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incubated for 10 mins followed by ATP addition and measured after 60 mins by HTRF method
50009055	1	ChEMBL_1895162 (CHEMBL4397197)	Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate preincubated for 5 to 10 mins followed by substrate addition and measured for 10 mins by yeast myokinase/pyruvate kinase/lactate dehydrogenase-coupled fluorescence assay
50009055	2	ChEMBL_1895189 (CHEMBL4397224)	Inhibition of CYP2C9 (unknown origin) by fluorescence-based assay
50009055	3	ChEMBL_1895214 (CHEMBL4397249)	Inhibition of human ERG
50009055	4	ChEMBL_1895186 (CHEMBL4397221)	Inhibition of CYP3A4 (unknown origin) by fluorescence-based assay
50009055	5	ChEMBL_1895187 (CHEMBL4397222)	Inhibition of CYPC19 (unknown origin) by fluorescence-based assay
50009055	6	ChEMBL_1895188 (CHEMBL4397223)	Inhibition of CYP2D6 (unknown origin) by fluorescence-based assay
50009055	7	ChEMBL_1895210 (CHEMBL4397245)	Inhibition of recombinant human His6-tagged PDE4D2 expressed in baculovirus infected Sf9 insect cells using cAMP as substrate preincubated for 5 to 10 mins followed by substrate addition and measured for 10 mins by yeast myokinase/pyruvate kinase/lactate dehydrogenase-coupled fluorescence assay
50009056	1	ChEMBL_1895269 (CHEMBL4397304)	Inhibition of Lysosomal alpha-mannosidase in wild-type human fibroblast cell lysates using 4-methylumbelliferone alpha-D-mannopyranoside as a reporter substrate incubated for 60 mins by fluorescence method
50009056	2	ChEMBL_1895273 (CHEMBL4397308)	Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysis
50009057	1	ChEMBL_1895322 (CHEMBL4397357)	Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation counting analysis
50009057	2	ChEMBL_1895326 (CHEMBL4397361)	Agonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	3	ChEMBL_1895321 (CHEMBL4397356)	Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation counting analysis
50009057	4	ChEMBL_1895367 (CHEMBL4397402)	Displacement of [3H]-prazosin from recombinant human alpha1A adrenergic receptor measured after 90 mins by microbeta scintillation counting method
50009057	5	ChEMBL_1895331 (CHEMBL4397366)	Antagonist activity at recombinant human D4 receptor expressed in CHOK1 cells assessed as inhibition of lisuride-induced beta arrestin2 recruitment preincubated for 30 mins followed by lisuride-stimulation and measured after 90 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	6	ChEMBL_1895347 (CHEMBL4397382)	Displacement of [3H]-mesulergine from recombinant human 5HT2C receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	7	ChEMBL_1895391 (CHEMBL4397426)	Displacement of [3H]N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	8	ChEMBL_1895377 (CHEMBL4397412)	Displacement of [3H]-epibatidine from recombinant human alpha3beta4 nACHR stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50009057	9	ChEMBL_1895324 (CHEMBL4397359)	Agonist activity at recombinant human D3 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	10	ChEMBL_1895325 (CHEMBL4397360)	Antagonist activity at recombinant human D3 receptor expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta arrestin2 recruitment preincubated for 30 mins followed by dopamine addition and measured after 90 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	11	ChEMBL_1895327 (CHEMBL4397362)	Antagonist activity at recombinant human D2 receptor expressed in CHOK1 cells assessed as inhibition of quinpirole-induced beta arrestin2 recruitment preincubated for 30 mins followed by quinpirole addition and measured after 90 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	12	ChEMBL_1895329 (CHEMBL4397364)	Antagonist activity at recombinant human D1 receptor expressed in CHOK1 cells assessed as inhibition of SKF81297-induced beta arrestin2 recruitment preincubated for 30 mins followed by SKF81297 addition and measured after 90 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	13	ChEMBL_1895330 (CHEMBL4397365)	Agonist activity at recombinant human D4 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	14	ChEMBL_1895335 (CHEMBL4397370)	Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method relative to control
50009057	15	ChEMBL_1895338 (CHEMBL4397373)	Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor transiently expressed in CHO cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	16	ChEMBL_1895345 (CHEMBL4397380)	Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	17	ChEMBL_1895353 (CHEMBL4397388)	Displacement of [3H]-pyrilamine from recombinant human H1 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	18	ChEMBL_1895354 (CHEMBL4397389)	Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50009057	19	ChEMBL_1895360 (CHEMBL4397395)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50009057	20	ChEMBL_1895362 (CHEMBL4397397)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M3 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50009057	21	ChEMBL_1895364 (CHEMBL4397399)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M4 receptor expressed in stable CHO cells after 90 mins by microbeta scintillation counting method
50009057	22	ChEMBL_1895368 (CHEMBL4397403)	Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50009057	23	ChEMBL_1895372 (CHEMBL4397407)	Displacement of [3H]-rauwolscine from recombinant human alpha2B adrenergic receptor transiently expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method
50009057	24	ChEMBL_1895373 (CHEMBL4397408)	Displacement of [3H]-rauwolscine from recombinant human alpha2C adrenergic receptor stably expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method
50009057	25	ChEMBL_1895385 (CHEMBL4397420)	Displacement of [3H]-nisoxetine from recombinant human NET stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50009057	26	ChEMBL_1895388 (CHEMBL4397423)	Displacement of [3H]-citalopram from recombinant human SERT stably expressed in HEK cells measured after 90 mins by microbeta scintillation counting method
50009057	27	ChEMBL_1895392 (CHEMBL4397427)	Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	28	ChEMBL_1895328 (CHEMBL4397363)	Agonist activity at recombinant human D1 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins by coelenterazine-based beta-galactosidase reporter gene assay
50009057	29	ChEMBL_1895355 (CHEMBL4397390)	Displacement of [3H]-alpha-methylhistamine from human histamine H3 receptor stably expressed in HEK Flp-In cells after 90 mins by microbeta scintillation counting method
50009057	30	ChEMBL_1895370 (CHEMBL4397405)	Displacement of [3H]-rauwolscine from recombinant human alpha2A adrenergic receptor stably expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method
50009057	31	ChEMBL_1895390 (CHEMBL4397425)	Displacement of [3H]N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast measured after 90 mins by microbeta scintillation counting method
50009057	32	ChEMBL_1895393 (CHEMBL4397428)	Inhibition of D4 receptor (unknown origin)
50009057	33	ChEMBL_1895340 (CHEMBL4397375)	Displacement of [3H]-5-CT from recombinant human 5HT1B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009057	34	ChEMBL_1895344 (CHEMBL4397379)	Displacement of [3H]-ketanserin from 5HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50009057	35	ChEMBL_1895352 (CHEMBL4397387)	Displacement of [3H]-LSD from recombinant human 5HT7A receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009059	1	ChEMBL_1895394 (CHEMBL4397429)	Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009059	2	ChEMBL_1895410 (CHEMBL4397445)	Inhibition of N-terminal GST-tagged human PDE10A expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	3	ChEMBL_1895403 (CHEMBL4397438)	Inhibition of human PDE2A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	4	ChEMBL_1895406 (CHEMBL4397441)	Inhibition of N-terminal GST-tagged human PDE6C expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009059	5	ChEMBL_1895402 (CHEMBL4397437)	Inhibition of N-terminal GST-tagged human PDE1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	6	ChEMBL_1895404 (CHEMBL4397439)	Inhibition of N-terminal GST-tagged human PDE3 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	7	ChEMBL_1895405 (CHEMBL4397440)	Inhibition of N-terminal GST-tagged human PDE4 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	8	ChEMBL_1895407 (CHEMBL4397442)	Inhibition of N-terminal GST-tagged human PDE7 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	9	ChEMBL_1895408 (CHEMBL4397443)	Inhibition of N-terminal GST-tagged full length human PDE8A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009059	10	ChEMBL_1895409 (CHEMBL4397444)	Inhibition of N-terminal GST-tagged full length human PDE9A2 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009059	11	ChEMBL_1895411 (CHEMBL4397446)	Inhibition of N-terminal GST-tagged human PDE11A4 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009059	12	ChEMBL_1895398 (CHEMBL4397433)	Binding affinity to recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 DE3 Rosetta2 pLysS cells assessed as dissociation constant at 200 to 250 uM by by isothermal titration calorimetry
50009062	1	ChEMBL_1895465 (CHEMBL4397500)	Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter gene assay
50009062	2	ChEMBL_1895477 (CHEMBL4397512)	Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter gene assay
50009062	3	ChEMBL_1895466 (CHEMBL4397501)	Agonist activity at human OTR stably expressed in CHOK1 cells by NFAT-luciferase reporter gene assay
50009062	4	ChEMBL_1895468 (CHEMBL4397503)	Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay
50009062	5	ChEMBL_1895497 (CHEMBL4397532)	Agonist activity at recombinant human V1a receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay
50009066	1	ChEMBL_1895503 (CHEMBL4397538)	Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant at 25 degreeC by surface plasmon resonance analysis
50009066	2	ChEMBL_1895506 (CHEMBL4397541)	Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant at 25 degreeC in presence 225 to 1000 mM of NaCl by surface plasmon resonance analysis
50009068	1	ChEMBL_1895521 (CHEMBL4397556)	Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in CHO cells after 60 mins by radioligand competition binding assay
50009068	2	ChEMBL_1895537 (CHEMBL4397572)	Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of GSK5 and coelenterazine 400a by BRET assay
50009068	3	ChEMBL_1895520 (CHEMBL4397555)	Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assay
50009068	4	ChEMBL_1895523 (CHEMBL4397558)	Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as activation of GalphaS incubated for 5 mins in presence of coelenterazine 400a by BRET assay
50009068	5	ChEMBL_1895527 (CHEMBL4397562)	Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of GRK2 and coelenterazine 400a by BRET assay
50009068	6	ChEMBL_1895525 (CHEMBL4397560)	Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of coelenterazine 400a by BRET assay
50009068	7	ChEMBL_1895531 (CHEMBL4397566)	Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as activation of GalphaS incubated for 5 mins in presence of coelenterazine 400a by BRET assay
50009068	8	ChEMBL_1895533 (CHEMBL4397568)	Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of coelenterazine 400a by BRET assay
50009068	9	ChEMBL_1895535 (CHEMBL4397570)	Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of GSK2 and coelenterazine 400a by BRET assay
50009068	10	ChEMBL_1895529 (CHEMBL4397564)	Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as increase in beta-arrestin2 recruitment incubated for 5 mins in presence of GRK5 and coelenterazine 400a by BRET assay
50009069	1	ChEMBL_1895683 (CHEMBL4397718)	Inhibition of 8-NBD-cAMP binding to human EPAC1 cAMP binding domain (149 to 318 residues) by fluorescence assay
50009069	2	ChEMBL_1895707 (CHEMBL4397742)	Displacement of dansylated phenylalanine from human serum albumin by fluorescence assay
50009069	3	ChEMBL_1895682 (CHEMBL4397717)	Binding affinity to human EPAC1 cAMP binding domain (149 to 318 residues) using aggregate form of compound by [15N-1H]HSQC spectroscopic analysis
50009069	4	ChEMBL_1895716 (CHEMBL4397751)	Binding affinity to human EPAC1 cAMP binding domain (149 to 318 residues) by [15N-1H]HSQC spectroscopic analysis
50009069	5	ChEMBL_1895706 (CHEMBL4397741)	Displacement of dansylated arginine from human serum albumin by fluorescence assay
50009069	6	ChEMBL_1895717 (CHEMBL4397752)	Binding affinity to human EPAC1 cAMP binding domain (149 to 318 residues) in presence of human serum albumin by [15N-1H]HSQC spectroscopic analysis
50009070	1	ChEMBL_1895737 (CHEMBL4397772)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in stable CHO-K1 cells by radioligand binding assay
50009070	2	ChEMBL_1895748 (CHEMBL4397783)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method
50009070	3	ChEMBL_1895762 (CHEMBL4397797)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method
50009070	4	ChEMBL_1895758 (CHEMBL4397793)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method
50009070	5	ChEMBL_1895759 (CHEMBL4397794)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method
50009070	6	ChEMBL_1895724 (CHEMBL4397759)	Binding affinity to muscarinic M2 receptor (unknown origin) expressed in CHO cells
50009070	7	ChEMBL_1895761 (CHEMBL4397796)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method
50009070	8	ChEMBL_1895760 (CHEMBL4397795)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method
50009070	9	ChEMBL_1895773 (CHEMBL4397808)	Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 0.2 nM [3H]-NMS after 3 hrs by microbeta2 scintillation counting method
50009070	10	ChEMBL_1895774 (CHEMBL4397809)	Competitive displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells using 2 nM [3H]-NMS after 3 hrs by microbeta2 scintillation counting method
50009070	11	ChEMBL_1895768 (CHEMBL4397803)	Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced IP1 accumulation pre-incubated for 30 mins followed by carbachol addition and measured after 1 hr by HTRF assay
50009070	12	ChEMBL_1895726 (CHEMBL4397761)	Binding affinity to muscarinic M1 receptor (unknown origin) expressed in CHO cells
50009070	13	ChEMBL_1895727 (CHEMBL4397762)	Binding affinity to muscarinic M3 receptor (unknown origin) expressed in CHO cells
50009070	14	ChEMBL_1895732 (CHEMBL4397767)	Displacement of [3H]-QNB from human muscarinic M2 receptor expressed in stable CHO-K1 cells incubated for 120 mins by radioligand competition binding assay
50009070	15	ChEMBL_1895738 (CHEMBL4397773)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in stable CHO-K1 cells by radioligand binding assay
50009070	16	ChEMBL_1895722 (CHEMBL4397757)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in stable CHO-K1 cells by radioligand binding assay
50009070	17	ChEMBL_1895723 (CHEMBL4397758)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in stable CHO-K1 cells by radioligand binding assay
50009070	18	ChEMBL_1895741 (CHEMBL4397776)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO-K1 cells by scintillation counting method
50009070	19	ChEMBL_1895742 (CHEMBL4397777)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K1 cells by scintillation counting method
50009070	20	ChEMBL_1895743 (CHEMBL4397778)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in CHO-K1 cells by scintillation counting method
50009070	21	ChEMBL_1895747 (CHEMBL4397782)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method
50009070	22	ChEMBL_1895750 (CHEMBL4397785)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method
50009070	23	ChEMBL_1895751 (CHEMBL4397786)	Displacement of [3H]-NMS from muscarinic M1 receptor (unknown origin) expressed in mouse A9L cells after 60 mins by scintillation counting method
50009070	24	ChEMBL_1895729 (CHEMBL4397764)	Binding affinity to muscarinic M5 receptor (unknown origin) expressed in CHO cells
50009070	25	ChEMBL_1895725 (CHEMBL4397760)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in stable CHO-K1 cells by radioligand binding assay
50009070	26	ChEMBL_1895746 (CHEMBL4397781)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method
50009070	27	ChEMBL_1895753 (CHEMBL4397788)	Displacement of [3H]-NMS from muscarinic M3 receptor (unknown origin) expressed in mouse A9L cell membranes after 60 mins by scintillation counting method
50009070	28	ChEMBL_1895767 (CHEMBL4397802)	Agonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as induction of Galphaq/i5-mediated IP1 accumulation after 1 hr by HTRF assay
50009070	29	ChEMBL_1895728 (CHEMBL4397763)	Binding affinity to muscarinic M4 receptor (unknown origin) expressed in CHO cells
50009070	30	ChEMBL_1895745 (CHEMBL4397780)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in CHO-K1 cells by scintillation counting method
50009070	31	ChEMBL_1895744 (CHEMBL4397779)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO-K1 cells by scintillation counting method
50009070	32	ChEMBL_1895749 (CHEMBL4397784)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 3 hrs by beta counting method
50009070	33	ChEMBL_1895752 (CHEMBL4397787)	Displacement of [3H]-NMS from rat heart muscarinic M2 receptor after 60 mins by scintillation counting method
50009071	1	ChEMBL_1895786 (CHEMBL4397821)	Binding affinity to human RANKL by surface plasmon resonance analysis
50009071	2	ChEMBL_1895799 (CHEMBL4397834)	Binding affinity to human RANKL measured after 1 hr by fluorescence assay
50009071	3	ChEMBL_1895792 (CHEMBL4397827)	Binding affinity to human TNFalpha by surface plasmon resonance analysis
50009071	4	ChEMBL_1895794 (CHEMBL4397829)	Binding affinity to mouse N-terminal His6-Trx-tagged RANKL ectodomain (157 to 316 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetric assay
50009071	5	ChEMBL_1895787 (CHEMBL4397822)	Inhibition of RANK binding to human RANKL measured after 1 h by surface plasmon resonance analysis
50009072	1	ChEMBL_1895830 (CHEMBL4397865)	Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate measured after 60 mins in presence of ATP by ADP-Glo kinase assay
50009072	2	ChEMBL_1895833 (CHEMBL4397868)	Inhibition of human recombinant N-terminal GST-tagged CDK6 (M1-A326 residues) and His6 tagged Cyclin D3 (M1-L292 residues) expressed in sf9 cells using histone H1 (GGGPATPKKAKKL) as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50009072	3	ChEMBL_1895834 (CHEMBL4397869)	Inhibition of human recombinant full length N-terminal GST His6 fused CDK9 (M1 to F372 residues/ N-terminal His6 tagged Cyclin T1 (M1 to K726 residues) expressed in sf9 cells using RBER-IRStide as substrate incubated for 90 mins in presence of ATP by ADP-Glo kinase assay
50009072	4	ChEMBL_1895835 (CHEMBL4397870)	Inhibition of CDK2/Cyclin E (unknown origin) incubated for 30 to 120 mins in presence of ATP by ADP-Glo kinase assay
50009072	5	ChEMBL_1895836 (CHEMBL4397871)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin) using RBER-IRStide as substrate incubated for 120 mins in presence of ATP by ADP-Glo kinase assay
50009072	6	ChEMBL_1895829 (CHEMBL4397864)	Inhibition of recombinant full length N-terminal GST tagged human CDK2/CyclinA expressed in baculovirus infected sf9 cells using histone H1 as substrate measured after 30 mins in presence of ATP by ADP-Glo kinase assay
50009072	7	ChEMBL_1895831 (CHEMBL4397866)	Inhibition of CDK1/CyclinB1 (unknown origin) using histone H1 (GGGPATPKKAKKL) as substrate incubated for 80 mins in presence of ATP by ADP-Glo kinase assay
50009072	8	ChEMBL_1895832 (CHEMBL4397867)	Inhibition of human recombinant N-terminal GST-tagged CDK4 (S4-E303 residues)/Cyclin D1 (Q4-I295 residues) expressed in sf9 cells using RB-CTF as substrate incubated for 90 mins in presence of ATP by ADP-Glo kinase assay
50009072	9	ChEMBL_1895839 (CHEMBL4397874)	Inhibition of human recombinant full length GST-fused/His-tagged FLT3 ITD mutant expressed in Sf9 cells using poly (Glu,Tyr) as substrate incubated for 80 mins in presence of ATP by ADP-Glo kinase assay
50009073	1	ChEMBL_1895864 (CHEMBL4397899)	Inhibition of recombinant human PDE4D catalytic domain using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	2	ChEMBL_1895870 (CHEMBL4397905)	Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha production preincubated for 1 hr followed by LPS stimulation and measured after 18 to 20 hrs by ELISA
50009073	3	ChEMBL_1895884 (CHEMBL4397919)	Inhibition of recombinant human PDE9A catalytic domain using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009073	4	ChEMBL_1895926 (CHEMBL4397961)	Inhibition of PDE4D (unknown origin) using cAMP as substrate
50009073	5	ChEMBL_1895877 (CHEMBL4397912)	Inhibition of recombinant human full length N-terminal GST-tagged PDE1A5 expressed in baculovirus infected Sf9 insect cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	6	ChEMBL_1895880 (CHEMBL4397915)	Inhibition of recombinant human PDE5A catalytic domain using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009073	7	ChEMBL_1895881 (CHEMBL4397916)	Inhibition of recombinant human full length N-terminal GST-tagged PDE6C expressed in baculovirus infected Sf9 insect cells using [3H]cGMP as substrate measured after 30 mins by scintillation proximity assay
50009073	8	ChEMBL_1895886 (CHEMBL4397921)	Inhibition of recombinant human full length N-terminal GST-tagged PDE11A4 expressed in baculovirus infected Sf9 insect cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	9	ChEMBL_1895899 (CHEMBL4397934)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential measured after 3 mins by QPatch automated patch-clamp assay
50009073	10	ChEMBL_1895927 (CHEMBL4397962)	Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha production
50009073	11	ChEMBL_1895882 (CHEMBL4397917)	Inhibition of recombinant human PDE7A catalytic domain using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	12	ChEMBL_1895878 (CHEMBL4397913)	Inhibition of recombinant human full length N-terminal thrombin cleavage site-fused/GST-tagged PDE2A expressed in baculovirus infected Sf9 insect cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	13	ChEMBL_1895885 (CHEMBL4397920)	Inhibition of recombinant human PDE10A catalytic domain using [3H]cGMP or [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009073	14	ChEMBL_1895883 (CHEMBL4397918)	Inhibition of recombinant human full length N-terminal GST-tagged PDE8A1 expressed in baculovirus infected Sf9 insect cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50009074	1	ChEMBL_1895928 (CHEMBL4397963)	Inhibition of recombinant human HDAC3/NCOR1 assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate preincubated for 10 mins followed by substrate addition and and measured after 30 mins by fluorescence based assay
50009074	2	ChEMBL_1895929 (CHEMBL4397964)	Inhibition of recombinant human HDAC8 assessed as decrease in deacetylation of FLUOR DE LYS substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009074	3	ChEMBL_1895930 (CHEMBL4397965)	Inhibition of recombinant human HDAC2 assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009074	4	ChEMBL_1895931 (CHEMBL4397966)	Inhibition of recombinant human His tagged HDAC1 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009074	5	ChEMBL_1895948 (CHEMBL4397983)	Inhibition of recombinant human His tagged HDAC6 expressed in baculovirus infected insect cells assessed as decrease in deacetylation of FLUOR DE LYS SIRT1 substrate by measuring decrease in fluorescence preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009074	6	ChEMBL_1895949 (CHEMBL4397984)	Inhibition of HDAC in human HeLa cell nuclear extract assessed as decrease in deacetylation of FLUOR DE LYS Green substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009075	1	ChEMBL_1895986 (CHEMBL4398021)	Modulation of 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as increase in FITC-TRAP220 peptide recruitment after 1 to 4 hrs by TR-FRET assay
50009075	2	ChEMBL_1895987 (CHEMBL4398022)	Agonist activity at PPARgamma (unknown origin)
50009075	3	ChEMBL_1895989 (CHEMBL4398024)	Transactivation of PPARgamma (unknown origin)
50009075	4	ChEMBL_1895988 (CHEMBL4398023)	Partial agonist activity at PPARgamma (unknown origin)
50009076	1	ChEMBL_1896020 (CHEMBL4398055)	Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting method
50009076	2	ChEMBL_1896000 (CHEMBL4398035)	Agonist activity at recombinant human GABA-A alpha5beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 secs by FMP dye based FLIPR membrane potential blue assay
50009076	3	ChEMBL_1895998 (CHEMBL4398033)	Agonist activity at recombinant human GABA-A alpha4beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 secs by FMP dye based FLIPR membrane potential blue assay
50009076	4	ChEMBL_1896017 (CHEMBL4398052)	Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting method
50009076	5	ChEMBL_1896018 (CHEMBL4398053)	Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting method
50009076	6	ChEMBL_1896019 (CHEMBL4398054)	Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting method
50009076	7	ChEMBL_1895993 (CHEMBL4398028)	Agonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 secs by FMP dye based FLIPR membrane potential blue assay
50009076	8	ChEMBL_1895994 (CHEMBL4398029)	Agonist activity at recombinant human GABA-A alpha1beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 secs by FMP dye based FLIPR membrane potential blue assay
50009076	9	ChEMBL_1896016 (CHEMBL4398051)	Antagonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 secs by FMP dye based FLIPR membrane potential blue assay
50009078	1	ChEMBL_1896087 (CHEMBL4398122)	Inhibition of recombinant full-length human GST-tagged PRMT4 expressed in Spodoptera frugiperda insect cells using histone H3 as substrate measured after 60 to 90 mins in presence of [3H]SAM by topcount method
50009078	2	ChEMBL_1896028 (CHEMBL4398063)	Inhibition of PRMT4 (unknown origin) using histone H3 (21 to 44 residues) as substrate measured after 60 mins in presence of SAM by AlphaLisa assay
50009078	3	ChEMBL_1896033 (CHEMBL4398068)	Inhibition of recombinant full-length human PRMT7 expressed in Sf9 insect cells using Ac-KKDGKKRKRSRKESYK-biotin as substrate measured after 30 mins in presence of SAM by topcount scintillation counting method
50009078	4	ChEMBL_1896029 (CHEMBL4398064)	Inhibition of PRMT1 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLisa assay
50009078	5	ChEMBL_1896056 (CHEMBL4398091)	Inhibition of PRMT4 in human MOLM13 cells assessed as reduction in BAF155 dimethylation measured after 96 hrs by Western blotting analysis
50009078	6	ChEMBL_1896035 (CHEMBL4398070)	Inhibition of PRMT8 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLisa assay
50009078	7	ChEMBL_1896034 (CHEMBL4398069)	Inhibition of PRMT3 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLisa assay
50009078	8	ChEMBL_1896091 (CHEMBL4398126)	Inhibition of PRMT6 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity assay
50009078	9	ChEMBL_1896089 (CHEMBL4398124)	Inhibition of PRMT3 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity assay
50009078	10	ChEMBL_1896088 (CHEMBL4398123)	Inhibition of PRMT1 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity assay
50009078	11	ChEMBL_1896057 (CHEMBL4398092)	Inhibition of PRMT4 in human MOLM13 cells assessed as reduction in PABP1 dimethylation measured after 96 hrs by Western blotting analysis
50009078	12	ChEMBL_1896036 (CHEMBL4398071)	Inhibition of PRMT5 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLisa assay
50009078	13	ChEMBL_1896090 (CHEMBL4398125)	Inhibition of PRMT4 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity assay
50009078	14	ChEMBL_1896030 (CHEMBL4398065)	Inhibition of PRMT6 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLisa assay
50009078	15	ChEMBL_1896092 (CHEMBL4398127)	Inhibition of PRMT8 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity assay
50009080	1	ChEMBL_1896106 (CHEMBL4398141)	Binding affinity to His-tagged biotinylated human MCL1 by surface plasmon resonance method
50009083	1	ChEMBL_1896291 (CHEMBL4398326)	Inhibition of His-tagged DENV2 NS5 RNA dependent RNA polymerase
50009083	2	ChEMBL_1896278 (CHEMBL4398313)	Inhibition of DENV2 NS2B-NS3 serine protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate after 15 mins by fluorescence assay
50009083	3	ChEMBL_1896258 (CHEMBL4398293)	Inhibition of His-tagged DENV2 NS2B-NS3 serine protease expressed in Escherichia coli BL21 using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrate measured after 10 mins by fluorometric assay
50009083	4	ChEMBL_1896268 (CHEMBL4398303)	Inhibition of DENV3 NS2B-NS3 serine protease after 2 hrs
50009083	5	ChEMBL_1896372 (CHEMBL4398407)	Inhibition of DENV2 NS2B-NS3 serine protease expressed in human Huh7 cells after 3 days by Phospha-Light SEAP reporter gene Assay
50009083	6	ChEMBL_1896255 (CHEMBL4398290)	Inhibition of DENV2 NS2B-NS3 serine protease expressed in human Huh7 cells after 3 days by luciferase reporter gene assay
50009083	7	ChEMBL_1896257 (CHEMBL4398292)	Inhibition of DENV4 NS2B-NS3 serine protease expressed in human Huh7 cells after 3 days by luciferase reporter gene assay
50009083	8	ChEMBL_1896259 (CHEMBL4398294)	Inhibition of GST-tagged DENV3 NS2B-NS3 serine protease expressed in Escherichia coli BL21Gold(DE3) using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrate measured after 10 mins by fluorometric assay
50009083	9	ChEMBL_1896266 (CHEMBL4398301)	Inhibition of DENV1 NS2B-NS3 serine protease after 2 hrs
50009083	10	ChEMBL_1896267 (CHEMBL4398302)	Inhibition of DENV2 NS2B-NS3 serine protease after 2 hrs
50009083	11	ChEMBL_1896280 (CHEMBL4398315)	Inhibition of His-tagged DENV2 NS2B-NS3 serine protease
50009083	12	ChEMBL_1896285 (CHEMBL4398320)	Inhibition of recombinant N-terminal His6-tagged DENV2 NGC NS5 RNA dependent RNA polymerase
50009083	13	ChEMBL_1896290 (CHEMBL4398325)	Inhibition of His-tagged DENV2 NS5 RNA dependent RNA polymerase expressed in baculovirus infected sf9 cells
50009083	14	ChEMBL_1896292 (CHEMBL4398327)	Inhibition of dengue virus NS5 RNA dependent RNA polymerase
50009083	15	ChEMBL_1896294 (CHEMBL4398329)	Inhibition of N-terminal His6-tagged DENV3 NS5 RNA dependent RNA polymerase (272 to 900 residues) after 1 hr by fluorescence assay
50009083	16	ChEMBL_1896298 (CHEMBL4398333)	Inhibition of DENV2 2'-O-methyltransferase using m7G*pppA-RNA as substrate
50009083	17	ChEMBL_1896299 (CHEMBL4398334)	Inhibition of DENV3 2'-O-methyltransferase using m7G*pppA-RNA as substrate
50009083	18	ChEMBL_1896368 (CHEMBL4398403)	Inhibition of Dengue virus NS2B-NS3 serine protease expressed in mouse RAW 264.7 cells
50009083	19	ChEMBL_1896271 (CHEMBL4398306)	Inhibition of DENV2 NS2B-NS3 serine protease expressed using Benzoyl-Nle-Lys-Arg-Arg-AMC as substrate measured preincubated for 3 mins followed by substrate addition by fluorescence assay
50009083	20	ChEMBL_1896269 (CHEMBL4398304)	Inhibition of DENV4 NS2B-NS3 serine protease after 2 hrs
50009083	21	ChEMBL_1896256 (CHEMBL4398291)	Inhibition of DENV1 NS2B-NS3 serine protease expressed in human Huh7 cells after 3 days by luciferase reporter gene assay
50009083	22	ChEMBL_1896279 (CHEMBL4398314)	Inhibition of His-tagged DENV2 NS2B-NS3 serine protease expressed in baculovirus infected sf9 cells
50009083	23	ChEMBL_1896373 (CHEMBL4398408)	Inhibition of DENV2 NS2B-NS3 serine protease using Boc-GRR-AMC as substrate after 30 mins
50009084	1	ChEMBL_1896402 (CHEMBL4398437)	Inhibition of sulfatase (unknown origin)
50009084	2	ChEMBL_1896408 (CHEMBL4398443)	Inhibition of human sulfatase using 4-methylumbelliferyl sulfate as substrate after 60 mins
50009084	3	ChEMBL_1896390 (CHEMBL4398425)	Inhibition of Fluormone-ES2 binding affinity to ERalpha (unknown origin) after 2 hrs by fluorescent polarization based competition binding assay
50009084	4	ChEMBL_1896395 (CHEMBL4398430)	Inhibition of human placental microsome aromatase using [1beta,2beta3H]-]testosterone as substrate measured up to 21 mins in presence of NADPH by liquid scintillation spectrometer method
50009084	5	ChEMBL_1896397 (CHEMBL4398432)	Inhibition of aromatase (unknown origin)
50009084	6	ChEMBL_1896398 (CHEMBL4398433)	Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counting method
50009084	7	ChEMBL_1896412 (CHEMBL4398447)	Inhibition of sulfatase (unknown origin) using 4-MUS as substrate
50009084	8	ChEMBL_1896388 (CHEMBL4398423)	Inhibition of ERalpha in human MCF7 cells after 36 hrs by Western blot analysis
50009084	9	ChEMBL_1896391 (CHEMBL4398426)	Inhibition of Estrogen receptor (unknown origin)
50009084	10	ChEMBL_1896392 (CHEMBL4398427)	Inhibition of HER2 (unknown origin)
50009084	11	ChEMBL_1896396 (CHEMBL4398431)	Inhibition of human aromatase using [1beta,2beta3H]-]testosterone as substrate
50009084	12	ChEMBL_1896399 (CHEMBL4398434)	Inhibition of human placental microsome aromatase using [1beta[3H]]androst-4-ene-3,17-dione as substrate after 15 mins in presence of NADPH by liquid scintillation counting method
50009084	13	ChEMBL_1896400 (CHEMBL4398435)	Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate by liquid scintillation counting method
50009084	14	ChEMBL_1896404 (CHEMBL4398439)	Inhibition of sulfatase (unknown origin) expressed in HEK293 cells using [3H]E1S as substrate after 2 hrs by liquid scintillation counting method
50009084	15	ChEMBL_1896406 (CHEMBL4398441)	Inhibition of sulfatase (unknown origin) using [3H]E1S as substrate after 18 hrs
50009084	16	ChEMBL_1896407 (CHEMBL4398442)	Inhibition of sulfatase (unknown origin) using [3H]DHEAS as substrate after 18 hrs
50009084	17	ChEMBL_1896409 (CHEMBL4398444)	Inhibition of sulfatase (unknown origin) using [3H]E1S as substrate after 20 mins by scintillation counting method
50009084	18	ChEMBL_1896414 (CHEMBL4398449)	Inhibition of ERalpha in human MCF7 cells
50009084	19	ChEMBL_1896416 (CHEMBL4398451)	Inhibition of ERbeta in human MCF7 cells
50009084	20	ChEMBL_1896419 (CHEMBL4398454)	Inhibition of ERalpha (unknown origin)
50009084	21	ChEMBL_1896418 (CHEMBL4398453)	Inhibition of ERalpha (unknown origin) after 18 hrs by dual luciferase reporter gene assay
50009084	22	ChEMBL_1896401 (CHEMBL4398436)	Inhibition of human placental microsome aromatase using [1beta[3H]]androstenedione as substrate after 15 mins by liquid scintillation counting method
50009084	23	ChEMBL_1896393 (CHEMBL4398428)	Inhibition of RAF1 in human MCF7 cells
50009084	24	ChEMBL_1896405 (CHEMBL4398440)	Inhibition of sulfatase (unknown origin) expressed in HEK293 cells using [3H]DHEAS as substrate after 2 hrs by liquid scintillation counting method
50009084	25	ChEMBL_1896403 (CHEMBL4398438)	Inhibition of human placental microsome sulfatase using estrone sulfate as substrate
50009085	1	ChEMBL_1896421 (CHEMBL4398456)	Inhibition of Bcl2 (unknown origin)
50009085	2	ChEMBL_1896422 (CHEMBL4398457)	Inhibition of Bcl-xL (unknown origin)
50009085	3	ChEMBL_1896431 (CHEMBL4398466)	Inhibition of Flu-BakBH3 peptide binding to recombinant human MCL1 after 15 mins by fluorescence polarization assay
50009085	4	ChEMBL_1896440 (CHEMBL4398475)	Inhibition of FITC-Ahx-GQVGRQLAIIGDDINR-CONH2 peptide binding to MCl-1 (unknown origin) by fluorescence polarization assay
50009085	5	ChEMBL_1896432 (CHEMBL4398467)	Inhibition of Flu-Bax peptide binding to Bcl2 (unknown origin) by time-resolved fluorescence resonance energy transfer assay
50009085	6	ChEMBL_1896437 (CHEMBL4398472)	Inhibition of GST-tagged Bcl-xL (unknown origin) after 3 hrs by pull-down assay
50009085	7	ChEMBL_1896443 (CHEMBL4398478)	Inhibition of human MCl-1 by fluorescence polarization assay
50009085	8	ChEMBL_1896424 (CHEMBL4398459)	Inhibition of MCl-1 (unknown origin)
50009085	9	ChEMBL_1896425 (CHEMBL4398460)	Inhibition of adenosine receptor A1 (unknown origin)
50009085	10	ChEMBL_1896426 (CHEMBL4398461)	Inhibition of Flu-BakBH3 peptide binding to GST-tagged Bcl2 (unknown origin) after 2 mins by fluorescence polarization assay
50009085	11	ChEMBL_1896427 (CHEMBL4398462)	Inhibition of Flu-BakBH3 peptide binding to GST-tagged Bcl-xL (unknown origin) preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence polarization assay
50009085	12	ChEMBL_1896429 (CHEMBL4398464)	Inhibition of Flu-BakBH3 peptide binding to recombinant human Bcl2 after 15 mins by fluorescence polarization assay
50009085	13	ChEMBL_1896430 (CHEMBL4398465)	Inhibition of Flu-BakBH3 peptide binding to recombinant human Bcl-xL after 15 mins by fluorescence polarization assay
50009085	14	ChEMBL_1896423 (CHEMBL4398458)	Inhibition of Bcl-w (unknown origin)
50009085	15	ChEMBL_1896433 (CHEMBL4398468)	Inhibition of Flu-Bax peptide binding to Bcl-xL (unknown origin) by time-resolved fluorescence resonance energy transfer assay
50009085	16	ChEMBL_1896434 (CHEMBL4398469)	Inhibition of Flu-Bax peptide binding to MCl-1 (unknown origin) by time-resolved fluorescence resonance energy transfer assay
50009085	17	ChEMBL_1896435 (CHEMBL4398470)	Inhibition of Bcl2 (unknown origin) after 2 hrs by fluorescein-PUMA based fluorescence polarization assay
50009085	18	ChEMBL_1896436 (CHEMBL4398471)	Inhibition of Bcl-xL (unknown origin) after 2 hrs by fluorescein-PUMA based fluorescence polarization assay
50009085	19	ChEMBL_1896438 (CHEMBL4398473)	Inhibition of GST-tagged MCl-1 (unknown origin) after 3 hrs by pull-down assay
50009085	20	ChEMBL_1896444 (CHEMBL4398479)	Inhibition of GST-tagged MCl-1 (unknown origin) after 60 mins by TR-FRET-binding affinity assay
50009085	21	ChEMBL_1896447 (CHEMBL4398482)	Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to recombinant 10His-tagged human Bcl2 (2 to 211 residues) expressed in Escherichia coli cells after 120 mins by fluorescence polarization assay
50009085	22	ChEMBL_1896448 (CHEMBL4398483)	Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to Bcl-xL (unknown origin) after 120 mins by fluorescence polarization assay
50009085	23	ChEMBL_1896442 (CHEMBL4398477)	Inhibition of FAM-GQVGRQLAIIGDDINR peptide binding to human Bcl-xL after 15 mins by fluorescence polarization assay
50009085	24	ChEMBL_1896445 (CHEMBL4398480)	Inhibition of N-terminal GST-tagged MCl-1 (unknown origin) expressed in Escherichia coli cells after 120 to 180 mins by TR-FRET-binding affinity assay
50009085	25	ChEMBL_1896428 (CHEMBL4398463)	Inhibition of Flu-BakBH3 peptide binding to GST-tagged MCl-1 (unknown origin) after 2 mins by fluorescence polarization assay
50009085	26	ChEMBL_1896420 (CHEMBL4398455)	Inhibition of Flu-BakBH3 peptide binding to GST-tagged Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay
50009085	27	ChEMBL_1896439 (CHEMBL4398474)	Inhibition of FITC-Ahx-GQVGRQLAIIGDDINR-CONH2 peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay
50009085	28	ChEMBL_1896446 (CHEMBL4398481)	Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to 6XHis-tagged human MCl-1 (171 to 327 residues) expressed in Escherichia coli cells after 120 mins by fluorescence polarization assay
50009086	1	ChEMBL_1896524 (CHEMBL4398559)	Inhibition of cathepsin C (unknown origin)
50009086	2	ChEMBL_1896483 (CHEMBL4398518)	Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured after 60 mins
50009086	3	ChEMBL_1896490 (CHEMBL4398525)	Inhibition of CYP1A2 (unknown origin)
50009086	4	ChEMBL_1896493 (CHEMBL4398528)	Inhibition of CYP2C9 (unknown origin)
50009086	5	ChEMBL_1896477 (CHEMBL4398512)	Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Phe-AFC as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins
50009086	6	ChEMBL_1896479 (CHEMBL4398514)	Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured after 60 mins
50009086	7	ChEMBL_1896487 (CHEMBL4398522)	Inhibition of recombinant human C-terminal polyhistidine-tagged cathepsin B (Arg18 to Ile339 residues) expressed in HEK293 cells using Z-Leu-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins
50009086	8	ChEMBL_1896488 (CHEMBL4398523)	Inhibition of recombinant human C-terminal His6-tagged cathepsin L (Glu113 to Val333 and Ala114 to Val333 residues) expressed in mouse myeloma cells using Z-Leu-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins
50009086	9	ChEMBL_1896489 (CHEMBL4398524)	Inhibition of recombinant human C-terminal polyhistidine-tagged cathepsin S (Met1 to Ile331 residues) expressed in HEK293 cells using MCA-Arg-Pro-Lys-Pro-Val-Glu-NVAL-Trp-Arg-Lys(DNP)-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins
50009086	10	ChEMBL_1896491 (CHEMBL4398526)	Inhibition of CYP2D6 (unknown origin)
50009086	11	ChEMBL_1896492 (CHEMBL4398527)	Inhibition of CYP3A4 (unknown origin)
50009086	12	ChEMBL_1896494 (CHEMBL4398529)	Inhibition of CYP2C19 (unknown origin)
50009086	13	ChEMBL_1896478 (CHEMBL4398513)	Inhibition of EGFR (unknown origin) using biotin-labelled peptide as substrate preincubated for 2 hrs followed by substrate addition and measured after 30 mins by HTRF FRET assay
50009089	1	ChEMBL_1896548 (CHEMBL4398583)	Binding affinity to N-terminal GST tagged recombinant human DCN1 (58 to 259 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in DCN1-FAM-labelled N-terminal acetylated UBE2M (1 to 21 residues) protein-protein interaction after 30 mins by HTRF assay
50009089	2	ChEMBL_1896547 (CHEMBL4398582)	Binding affinity to N-terminal His6-tagged recombinant human DCN1 expressed in Escherichia coli BL21-AI assessed as reduction in DCN1-FAM-labelled N-terminal acetylated UBE2M (1 to 12 residues) protein-protein interaction after 30 mins by fluorescence polarization competitive binding assay
50009089	3	ChEMBL_1896553 (CHEMBL4398588)	Binding affinity to N-terminal GST tagged recombinant DCN4 (unknown origin) (102 to 292 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in DCN1/FAM-labelled N-terminal acetylated UBE2M (1 to 21 residues) protein-protein interaction after 30 mins by HTRF assay
50009089	4	ChEMBL_1896551 (CHEMBL4398586)	Binding affinity to N-terminal GST tagged recombinant DCN2 (unknown origin) (62 to 259 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in DCN1-FAM-labelled N-terminal acetylated UBE2M (1 to 21 residues) protein-protein interaction after 30 mins by HTRF assay
50009089	5	ChEMBL_1896552 (CHEMBL4398587)	Binding affinity to N-terminal GST tagged recombinant DCN3 (unknown origin) (86 to 304 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in DCN1/FAM-labelled N-terminal acetylated UBE2M (1 to 21 residues) protein-protein interaction after 30 mins by HTRF assay
50009089	6	ChEMBL_1896554 (CHEMBL4398589)	Binding affinity to N-terminal GST tagged recombinant DCN5 (unknown origin) (47 to 237 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in DCN1/FAM-labelled N-terminal acetylated UBE2M (1 to 21 residues) protein-protein interaction after 30 mins by HTRF assay
50009091	1	ChEMBL_1896664 (CHEMBL4398699)	Inhibition of bovine aortic smooth muscle PDE5 using cGMP as substrate incubated for 30 mins in presence of EGTA and [3H]cGMP by liquid scintillation counting method
50009091	2	ChEMBL_1896680 (CHEMBL4398715)	Inhibition of PDE5 (unknown origin) using 0.4 uM cGMP as substrate
50009091	3	ChEMBL_1896671 (CHEMBL4398706)	Inhibition of human platelets PDE2 at 10 uM using cAMP as substrate incubated for 30 mins in presence of [3H]cAMP and cGMP by liquid scintillation counting method
50009091	4	ChEMBL_1896681 (CHEMBL4398716)	Inhibition of human platelets PDE5
50009094	1	ChEMBL_1896686 (CHEMBL4398721)	Inhibition of mushroom tyrosinase using L-tyrosinase as substrate measured after 30 mins
50009095	1	ChEMBL_1896714 (CHEMBL4398749)	Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay
50009095	2	ChEMBL_1896728 (CHEMBL4398763)	Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay
50009095	3	ChEMBL_1896689 (CHEMBL4398724)	Inhibition of HDAC in human MeT-5A cells assessed as increase in transfected YFP fused histone H3 acetylation treated at 8 hrs after YFP fused H3 transfection measured after 24 hrs incubation by BRET assay
50009095	4	ChEMBL_1896713 (CHEMBL4398748)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay
50009095	5	ChEMBL_1896715 (CHEMBL4398750)	Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 10 mins by fluorimetry assay
50009095	6	ChEMBL_1896716 (CHEMBL4398751)	Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay
50009095	7	ChEMBL_1896718 (CHEMBL4398753)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 30 mins by fluorimetry assay
50009095	8	ChEMBL_1896719 (CHEMBL4398754)	Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2a measured after 45 mins by fluorimetry assay
50009095	9	ChEMBL_1896688 (CHEMBL4398723)	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate measured after 60 mins by fluorimetry assay
50009095	10	ChEMBL_1896687 (CHEMBL4398722)	Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay
50009095	11	ChEMBL_1896730 (CHEMBL4398765)	Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate measured after 45 mins by fluorimetry assay
50009095	12	ChEMBL_1896727 (CHEMBL4398762)	Inhibition of human recombinant sirtuin 2 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 60 mins by fluorimetry assay
50009095	13	ChEMBL_1896726 (CHEMBL4398761)	Inhibition of human recombinant sirtuin 3 using fluoro-lysine sirtuin 2 deacetylase substrate measured after 45 mins by fluorimetry assay
50009095	14	ChEMBL_1896729 (CHEMBL4398764)	Inhibition of human recombinant sirtuin 1 using fluorogenic HDAC substrate measured after 20 mins by fluorimetry assay
50009095	15	ChEMBL_1896717 (CHEMBL4398752)	Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay
50009096	1	ChEMBL_1896761 (CHEMBL4398796)	Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant expressed in baculovirus expression system using poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50009096	2	ChEMBL_1896805 (CHEMBL4398840)	Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50009097	1	ChEMBL_1896818 (CHEMBL4398853)	Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay
50009098	1	ChEMBL_1896859 (CHEMBL4398894)	Inhibition of VEGFR2 (unknown origin) using Poly (Glu, Tyr) 4:1 as substrate preincubated with substrate followed by enzyme challenge for 1 hr by ELISA
50009098	2	ChEMBL_1896899 (CHEMBL4398934)	Inhibition of EGFR (unknown origin) using Poly (Glu, Tyr) 4:1 as substrate preincubated with substrate followed by enzyme challenge for 1 hr by ELISA
50009100	1	ChEMBL_1896904 (CHEMBL4398939)	Inhibition of STAT3 phosphorylation at Tyr705 residue in human MDA-MB-231 cells by sandwich-ELISA
50009101	1	ChEMBL_1896961 (CHEMBL4398996)	Antagonist activity at TLR2 in mouse RAW264.7 cells assessed as PAM3CSK4-induced NO production measured after 24 hrs by Griess assay
50009102	1	ChEMBL_1897014 (CHEMBL4399049)	Inhibition of human carbonic anhydrase 2
50009102	2	ChEMBL_1897015 (CHEMBL4399050)	Inhibition of human carbonic anhydrase 9
50009102	3	ChEMBL_1897020 (CHEMBL4399055)	Inhibition of equine BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50009102	4	ChEMBL_1896979 (CHEMBL4399014)	Inhibition of steroid sulfatase (unknown origin)
50009102	5	ChEMBL_1897004 (CHEMBL4399039)	Inhibition of human placental steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting method
50009102	6	ChEMBL_1896984 (CHEMBL4399019)	Inhibition of steroid sulfatase in human MCF7 cells
50009102	7	ChEMBL_1896985 (CHEMBL4399020)	Inhibition of steroid sulfatase derived form human placental microsomes
50009102	8	ChEMBL_1897001 (CHEMBL4399036)	Inhibition of human steroid sulfatase by fluorimetric assay
50009102	9	ChEMBL_1897005 (CHEMBL4399040)	Inhibition of aromatase (unknown origin)
50009102	10	ChEMBL_1897012 (CHEMBL4399047)	Inhibition of human placental steroid sulfatase
50009102	11	ChEMBL_1897018 (CHEMBL4399053)	Inhibition of human carbonic anhydrase 2 using p-nitrophenylacetate as substrate after 3 mins
50009102	12	ChEMBL_1897019 (CHEMBL4399054)	Inhibition of electric ee AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50009102	13	ChEMBL_1897017 (CHEMBL4399052)	Inhibition of human carbonic anhydrase 1 using p-nitrophenylacetate as substrate after 3 mins
50009102	14	ChEMBL_1897002 (CHEMBL4399037)	Inhibition of steroid sulfatase (unknown origin) expressed in human MCF7 cells
50009102	15	ChEMBL_1897013 (CHEMBL4399048)	Inhibition of human carbonic anhydrase 4
50009102	16	ChEMBL_1897003 (CHEMBL4399038)	Inhibition of steroid sulfatase (unknown origin) expressed in CHO cells
50009103	1	ChEMBL_1897026 (CHEMBL4399061)	Agonist activity at human recombinant MOR expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as induction of calcium mobilization by Fluo-4AM dye-based fluorescence assay
50009103	2	ChEMBL_1897023 (CHEMBL4399058)	Displacement of [3H]deltrophin-2 from human recombinant DOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting method
50009103	3	ChEMBL_1897024 (CHEMBL4399059)	Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting method
50009103	4	ChEMBL_1897022 (CHEMBL4399057)	Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting method
50009105	1	ChEMBL_1897031 (CHEMBL4399066)	Inhibition GST-tagged G9a (685 to 1000 residues) (unknown origin) expressed in Escherichia coli
50009105	2	ChEMBL_1897030 (CHEMBL4399065)	Inhibition G9a (unknown origin)
50009105	3	ChEMBL_1897034 (CHEMBL4399069)	Inhibition human G9a catalytic domain
50009107	1	ChEMBL_1897055 (CHEMBL4399090)	Inhibition of human recombinant IDE harboring C110L/C171S/C178A/C257V/C414L/C573N/C590S/C789S/C812A/C819A/C904S/C966N/C974A mutant expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50009107	2	ChEMBL_1897036 (CHEMBL4399071)	Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50009107	3	ChEMBL_1897040 (CHEMBL4399075)	Inhibition of N-terminal His6-tagged mouse recombinant IDE Escherichia coli BL21 (DE3) cells using fluorogenic peptide Mca-RPPGFSAFK(Dnp)-OH as substrate by FRET assay
50009107	4	ChEMBL_1897041 (CHEMBL4399076)	Inhibition of recombinant IDE exosite (unknown origin) expressed in Escherichia coli using insulin as substrate incubated for 4 hrs by AlphaLisa assay
50009107	5	ChEMBL_1897052 (CHEMBL4399087)	Inhibition of wild type human IDE catalytic site using insulin as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by Luminex kit method
50009107	6	ChEMBL_1897053 (CHEMBL4399088)	Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50009107	7	ChEMBL_1897039 (CHEMBL4399074)	Inhibition of IDE exosite and catalytic site (unknown origin)
50009107	8	ChEMBL_1897046 (CHEMBL4399081)	Inhibition of human recombinant DDAH1 reduction in L-citrulline formation using ADMA as substrate
50009107	9	ChEMBL_1897038 (CHEMBL4399073)	Inhibition of human recombinant IDE expressed in CHO cells in presence of [125I]-insulin by HTRF assay
50009108	1	ChEMBL_1897091 (CHEMBL4399126)	Inhibition of Escherichia coli DNA gyrase super-coiling activity using relaxed pNO1 DNA as substrate incubated for 30 mins by fluorescence assay
50009109	1	ChEMBL_1897225 (CHEMBL4399260)	Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method
50009109	2	ChEMBL_1897143 (CHEMBL4399178)	Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of ATP by Kinase-Glo luminescence assay
50009109	3	ChEMBL_1897144 (CHEMBL4399179)	Inhibition of human wild type BRAF by Kinase-Glo luminescence assay
50009109	4	ChEMBL_1897148 (CHEMBL4399183)	Inhibition of c-kit (unknown origin)
50009109	5	ChEMBL_1897145 (CHEMBL4399180)	Inhibition of PDGFR beta (unknown origin)
50009109	6	ChEMBL_1897146 (CHEMBL4399181)	Inhibition of FGFR1 (unknown origin)
50009109	7	ChEMBL_1897147 (CHEMBL4399182)	Inhibition of TIE2 (unknown origin)
50009109	8	ChEMBL_1897149 (CHEMBL4399184)	Inhibition of RAF1 (unknown origin)
50009109	9	ChEMBL_1897223 (CHEMBL4399258)	Inhibition of mouse VEGFR-2 (785 to 1376 residues)
50009109	10	ChEMBL_1897222 (CHEMBL4399257)	Inhibition of VEGFR1 (unknown origin)
50009109	11	ChEMBL_1897221 (CHEMBL4399256)	Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin)
50009109	12	ChEMBL_1897224 (CHEMBL4399259)	Inhibition of mouse VEGFR-3 (818 to 1363 residues)
50009109	13	ChEMBL_1897226 (CHEMBL4399261)	Inhibition of BRAF (unknown origin)
50009111	1	ChEMBL_1897347 (CHEMBL4399382)	Inhibition of Escherichia coli DNA gyrase (A2B2 tetramer) using relaxed pBR322 as substrate preincubated for 30 mins followed by enzyme addition by SYBR staining-based agarose gel electrophoresis method
50009112	1	ChEMBL_1897372 (CHEMBL4399407)	Agonist activity at human CAR transfected in human HepG2 cells cotransfected with CYP2B6 incubated for 23 hrs by luciferase reported gene assay
50009112	2	ChEMBL_1897376 (CHEMBL4399411)	Agonist activity at human PXR transfected in human HepG2 cells cotransfected with CYP3A4 incubated for 23 hrs by luciferase reporter gene assay
50009113	1	ChEMBL_1897389 (CHEMBL4399424)	Inhibition of 20S proteosome beta 1 purified from human HCT116 cells using Z-LLE-AMC as substrate incubated for 30 to 120 mins by fluorimetry
50009113	2	ChEMBL_1897391 (CHEMBL4399426)	Inhibition of 20S proteosome beta 5 purified from human HCT116 cells using Suc-LLVY-AMC as substrate incubated for 30 to 120 mins by fluorimetry
50009113	3	ChEMBL_1897390 (CHEMBL4399425)	Inhibition of 20S proteosome beta 2 purified from human HCT116 cells using Boc-LRR-AMC as substrate incubated for 30 to 120 mins by fluorimetry
50009114	1	ChEMBL_1897406 (CHEMBL4399441)	Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmids assessed as inhibition of AhR transcriptional activity administered at 5 hrs post-transfection treated with TCDD at 1 hr post-compound treatment and measured for 10 sec after a 3 sec delay at 18 hrs post-TCDD challenge by dual luciferase reporter gene assay
50009115	1	ChEMBL_1897414 (CHEMBL4399449)	Inhibition of human HLE
50009115	2	ChEMBL_1897426 (CHEMBL4399461)	Agonist activity at mu opioid receptor (unknown origin) expressed in CHO cells
50009115	3	ChEMBL_1897412 (CHEMBL4399447)	Inhibition of BACE-1 (unknown origin) using MPBC125-fused APP as substrate incubated for 1 to 2 hrs by ELISA
50009115	4	ChEMBL_1897427 (CHEMBL4399462)	Agonist activity at kappa opioid receptor (unknown origin) expressed in CHO cells
50009115	5	ChEMBL_1897428 (CHEMBL4399463)	Inhibition of BACE-1 (unknown origin)
50009115	6	ChEMBL_1897424 (CHEMBL4399459)	Agonist activity at delta opioid receptor (unknown origin) expressed in CHO cells
50009116	1	ChEMBL_1897470 (CHEMBL4399505)	Inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50009116	2	ChEMBL_1897472 (CHEMBL4399507)	Noncompetitive inhibition of SMS1 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50009116	3	ChEMBL_1897468 (CHEMBL4399503)	Inhibition of SMS1 (unknown origin)
50009116	4	ChEMBL_1897471 (CHEMBL4399506)	Inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using C6-NBD-ceramide as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50009116	5	ChEMBL_1897473 (CHEMBL4399508)	Noncompetitive inhibition of SMS2 (unknown origin) stably expressed in mouse ZS cells using 5 to 50 uM C6-NBD-ceramide as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50009116	6	ChEMBL_1897477 (CHEMBL4399512)	Inhibition of SMS2 in MEF cells using C6-NBD-ceramide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by HPLC analysis
50009116	7	ChEMBL_1897476 (CHEMBL4399511)	Inhibition of SMS1 in MEF cells using C6-NBD-ceramide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by HPLC analysis
50009116	8	ChEMBL_1897469 (CHEMBL4399504)	Inhibition of SMS2 (unknown origin)
50009118	1	ChEMBL_1897517 (CHEMBL4399552)	Inhibition of DNA topoisomerase 2 in human HeLa cells incubated for 18 to 24 hrs by kinase assay
50009118	2	ChEMBL_1897521 (CHEMBL4399556)	Inhibition of DNA topoisomerase 2 in human MCF7 cells incubated for 18 to 24 hrs by kinase assay
50009118	3	ChEMBL_1897499 (CHEMBL4399534)	Inhibition of EGFR-TK in human MCF7 cells overexpressing EGFR incubated for 18 to 24 hrs by kinase assay
50009118	4	ChEMBL_1897498 (CHEMBL4399533)	Inhibition of EGFR-TK in human HeLa cells overexpressing EGFR incubated for 18 to 24 hrs by kinase assay
50009119	1	ChEMBL_1897548 (CHEMBL4399583)	Inhibition of human ERG
50009119	2	ChEMBL_1897549 (CHEMBL4399584)	Inhibition of human recombinant full length His tagged PKC theta expressed in baculovirus using ERMRPRKRQGSVRRRV peptide as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid scintillation counter
50009119	3	ChEMBL_1897556 (CHEMBL4399591)	Inhibition of FLT3 (unknown origin) using polyE4Y peptide as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid scintillation counter
50009119	4	ChEMBL_1897550 (CHEMBL4399585)	Inhibition of recombinant full length PKC alpha (unknown origin) using RRRRRKGSFKRKA peptide as substrate measured after 15 mins in presence of ATP by spectrophotometric analysis
50009119	5	ChEMBL_1897551 (CHEMBL4399586)	Inhibition of recombinant full length PKC delta (unknown origin) using ERMRPRKR- QGSVRRRV peptide as substrate measured after 15 mins in presence of ATP by spectrophotometric analysis
50009119	6	ChEMBL_1897552 (CHEMBL4399587)	Inhibition of protein kinase A (unknown origin) using Kemptide (LRRASLG) as substrate incubated for 15 mins in presence of ATP by spectrophotometric analysis
50009119	7	ChEMBL_1897553 (CHEMBL4399588)	Inhibition of GSK-3beta (unknown origin) using HSSPHQS(PO3H2)EDEEE peptide as substrate measured after 15 mins in presence of ATP by spectrophotometric analysis
50009119	8	ChEMBL_1897554 (CHEMBL4399589)	Inhibition of ROCK (unknown origin) using Myelin Basic Protein as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid scintillation counter
50009119	9	ChEMBL_1897555 (CHEMBL4399590)	Inhibition of JAK3 (unknown origin)
50009119	10	ChEMBL_1897557 (CHEMBL4399592)	Inhibition of JAK2 (unknown origin) using polyE4Y peptide as substrate incubated for 60 mins in presence of [33P] gammaATP by microbeta liquid scintillation counter
50009119	11	ChEMBL_1897582 (CHEMBL4399617)	Inhibition of human PKC beta
50009120	1	ChEMBL_1897591 (CHEMBL4399626)	Inhibition of recombinant Staphylococcus aureus wild type truncated C-terminal His6 tagged Srt A using Abz-Leu-Pro-Glu-Thr-Gly-Lys(Dnp)-NH2 as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by FRET assay
50009120	2	ChEMBL_1897599 (CHEMBL4399634)	Inhibition of recombinant Staphylococcus aureus wild type truncated C-terminal His6 tagged Srt A using Abz-Leu-Pro-Glu-Thr-Gly-Lys(Dnp)-NH2 as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by FRET assay in presence of 0.5 mM reducing agent, DTT
50009120	3	ChEMBL_1897596 (CHEMBL4399631)	Inhibition of Staphylococcus aureus Newman recombinant SrtA expressed in Escherichia coli cells using Dabcyl-QALPETGEE-Edans as substrate by fluorimetric analysis
50009122	1	ChEMBL_1897608 (CHEMBL4399643)	Displacement of 1,8-ANS from human recombinant full length N-terminal his-tagged FABP4 expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by fluorescence based assay
50009122	2	ChEMBL_1897609 (CHEMBL4399644)	Displacement of 1,8-ANS from human recombinant full length N-terminal his-tagged FABP5 expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by fluorescence based assay
50009122	3	ChEMBL_1897610 (CHEMBL4399645)	Displacement of 1,8-ANS from FABP3 (unknown origin) incubated for 3 mins by fluorescence based assay
50009124	1	ChEMBL_1897624 (CHEMBL4399659)	Inhibition of recombinant human C-terminal GST/His-tagged HDAC3 (1 to 428 residues) co-expressed with human N-terminal GST-tagged NCOR2 (395 to 489 residues) in baculovirus infected Sf9 cells using ZMAL as substrate incubated for 90 mins by fluorometric method
50009124	2	ChEMBL_1897623 (CHEMBL4399658)	Inhibition of recombinant human full length C-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using ZMAL as substrate incubated for 90 mins by fluorometric method
50009124	3	ChEMBL_1897625 (CHEMBL4399660)	Inhibition of recombinant human full length C-terminal Flag-tagged HDAC2 expressed in baculovirus infected Sf9 cells using ZMAL as substrate incubated for 90 mins by fluorometric method
50009124	4	ChEMBL_1897626 (CHEMBL4399661)	Inhibition of recombinant human full length C-terminal Flag/His-tagged HDAC1 expressed in baculovirus infected Sf9 cells using ZMAL as substrate incubated for 90 mins by fluorometric method
50009125	1	ChEMBL_1897642 (CHEMBL4399677)	Displacement of [3H] N-alpha methylhistamine from human recombinant H3 receptor expressed in HEK293 cells incubated for 90 min
50009125	2	ChEMBL_1897652 (CHEMBL4399687)	Displacement of [3H] spiperone from human D2 dopamine receptor
50009125	3	ChEMBL_1897643 (CHEMBL4399678)	Inhibition of human recombinant MAO-A using kynuramine as substrate by discontinuous fluorimetric analysis
50009125	4	ChEMBL_1897651 (CHEMBL4399686)	Displacement of [3H] histamine from human H4 histamine receptor
50009125	5	ChEMBL_1897650 (CHEMBL4399685)	Displacement of [3H] pyrilamine from human H1 histamine receptor
50009125	6	ChEMBL_1897644 (CHEMBL4399679)	Inhibition of human recombinant MAO-B using kynuramine as substrate by discontinuous fluorimetric analysis
50009125	7	ChEMBL_1897661 (CHEMBL4399696)	Inhibition of rat brain MAO-B using [14C]-phenylethylamine as substrate preincubated for 60 mins followed by substrate addition and measured after 20 mins by liquid scintillation counting method
50009125	8	ChEMBL_1897655 (CHEMBL4399690)	Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated for 30 mins followed by substrate addition by discontinuous fluorimetric analysis
50009125	9	ChEMBL_1897654 (CHEMBL4399689)	Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated for 60 mins followed by substrate addition by discontinuous fluorimetric analysis
50009125	10	ChEMBL_1897646 (CHEMBL4399681)	Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated for 30 mins followed by substrate addition by discontinuous fluorimetric analysis
50009125	11	ChEMBL_1897656 (CHEMBL4399691)	Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated for 60 mins followed by substrate addition by discontinuous fluorimetric analysis
50009125	12	ChEMBL_1897653 (CHEMBL4399688)	Displacement of [3H] spiperone from human D3 dopamine receptor
50009126	1	ChEMBL_1897665 (CHEMBL4399700)	Inhibition of BRD4 bromodomain 1/2 (unknown origin) by alphascreen assay
50009126	2	ChEMBL_1897675 (CHEMBL4399710)	Inhibition of human recombinant N-terminal 6his-tagged BRD4 bromodomain 2 expressed in Escherichia coli BL21(DE3) using using H4 peptide as substrate by alphascreen assay
50009126	3	ChEMBL_1897674 (CHEMBL4399709)	Inhibition of human recombinant N-terminal 6his-tagged BRD4 expressed in Escherichia coli BL21(DE3) using H4 peptide as substrate by alphascreen assay
50009126	4	ChEMBL_1897676 (CHEMBL4399711)	Inhibition of BRD4 bromodomain (unknown origin)
50009132	1	ChEMBL_1897702 (CHEMBL4399737)	Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further incubation for 3 hrs by microplate reader based fluorescence assay
50009132	2	ChEMBL_1897699 (CHEMBL4399734)	Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further incubation for 3 hrs by microplate reader based fluorescence assay
50009132	3	ChEMBL_1897698 (CHEMBL4399733)	Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay
50009132	4	ChEMBL_1897696 (CHEMBL4399731)	Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay
50009132	5	ChEMBL_1897695 (CHEMBL4399730)	Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay
50009132	6	ChEMBL_1897697 (CHEMBL4399732)	Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay
50009133	1	ChEMBL_1897720 (CHEMBL4399755)	Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 30 mins by UV-Visible spectrophotometric method
50009133	2	ChEMBL_1897721 (CHEMBL4399756)	Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 30 mins by UV-Visible spectrophotometric method
50009133	3	ChEMBL_1897723 (CHEMBL4399758)	Binding affinity to recombinant ferrous state of IDO1 C129Y mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 30 mins by UV-Visible spectrophotometric method
50009134	1	ChEMBL_1897774 (CHEMBL4399809)	Inhibition of PI3K delta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
50009134	2	ChEMBL_1897776 (CHEMBL4399811)	Inhibition of PI3K beta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
50009134	3	ChEMBL_1897775 (CHEMBL4399810)	Inhibition of PI3K alpha (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
50009134	4	ChEMBL_1897777 (CHEMBL4399812)	Inhibition of PI3K gamma (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay
50009134	5	ChEMBL_1897787 (CHEMBL4399822)	Inhibition of PI3K delta (unknown origin)
50009138	1	ChEMBL_1897791 (CHEMBL4399826)	Inhibition of NTCP in human hepatocytes assessed as reduction in Na+-dependent [3H]taurocholate uptake measured at 45s following compound addition by liquid scintillation counting method
50009138	2	ChEMBL_1897793 (CHEMBL4399828)	Inhibition of NTCP in human hepatocytes
50009138	3	ChEMBL_1897789 (CHEMBL4399824)	Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method
50009138	4	ChEMBL_1897790 (CHEMBL4399825)	Inhibition of human recombinant NTCP expressed in CHO cells assessed as reduction in [3H]taurocholate uptake incubated for 2 mins by scintillation counting method
50009138	5	ChEMBL_1897792 (CHEMBL4399827)	Inhibition of human recombinant NTCP expressed in CHO cells assessed as reduction in [3H]taurocholate uptake preincubated for 1 hr by radioactive scintillation counting method
50009138	6	ChEMBL_1897794 (CHEMBL4399829)	Inhibition of NTCP (unknown origin)
50009139	1	ChEMBL_1897962 (CHEMBL4399997)	Inhibition of recombinant human His-tagged TrkA kinase domain (441-796 residues) expressed in baculovirus expression system incubated with enzyme/ATP mixture for 20 mins by HTRF assay
50009139	2	ChEMBL_1897964 (CHEMBL4399999)	Inhibition of recombinant full length human TrkB transfected in CHO cells assessed as inhibition of NGF-stimulated calcium influx by FLIPR assay
50009139	3	ChEMBL_1897963 (CHEMBL4399998)	Inhibition of recombinant full length human TrkA transfected in CHO cells assessed as inhibition of NGF-stimulated calcium influx by FLIPR assay
50009139	4	ChEMBL_1897974 (CHEMBL4400009)	Inhibition of activated recombinant human His-tagged TrkB expressed in baculovirus expression system preincubated for 20 mins followed by ATP/SRCtide substarte addition further incubated for 2 hrs by caliper microfluidic mobility shift assay
50009139	5	ChEMBL_1897981 (CHEMBL4400016)	Inhibition of human wild type TrkA kinase domain expressed in mouse NIH/3T3 cells by HTRF assay
50009139	6	ChEMBL_1897970 (CHEMBL4400005)	Binding affinity to recombinant human biotinylated and N-terminal DYKDDDDK-tagged TrkB kinase domain (456-822 residues) expressed in sf21 cells assessed as equilibrium constant by SPR based single cycle kinetics analysis
50009139	7	ChEMBL_1897971 (CHEMBL4400006)	Inhibition of inactive recombinant human His-tagged TrkA expressed in baculovirus expression system preincubated for 20 mins followed by ATP/CSKtide substarte addition further incubated for 2 hrs by caliper microfluidic mobility shift assay
50009139	8	ChEMBL_1897972 (CHEMBL4400007)	Inhibition of activated recombinant human His-tagged TrkA expressed in baculovirus expression system preincubated for 20 mins followed by ATP/CSKtide substarte addition further incubated for 2 hrs by caliper microfluidic mobility shift assay
50009139	9	ChEMBL_1897973 (CHEMBL4400008)	Inhibition of inactive recombinant human His-tagged TrkB expressed in baculovirus expression system preincubated for 20 mins followed by ATP/SRCtide substarte addition further incubated for 2 hrs by caliper microfluidic mobility shift assay
50009139	10	ChEMBL_1897975 (CHEMBL4400010)	Inhibition of TrkA in rat PC12 cells assessed as reduction in beta-NGF-induced neurite outgrowth incubated for 7 days by live cell imaging analysis
50009139	11	ChEMBL_1897982 (CHEMBL4400017)	Inhibition of human TrkA G595R mutant expressed in mouse NIH/3T3 cells by HTRF assay
50009139	12	ChEMBL_1897983 (CHEMBL4400018)	Inhibition of human TrkA G667C mutant expressed in mouse NIH/3T3 cells by HTRF assay
50009139	13	ChEMBL_1897986 (CHEMBL4400021)	Inhibition of human TrkA
50009139	14	ChEMBL_1897967 (CHEMBL4400002)	Binding affinity to recombinant human biotinylated and N- terminal DYKDDDDK-tagged TrkA kinase domain (436-790 residues) expressed in Sf21 cells assessed as equilibrium constant by SPR based single cycle kinetics analysis
50009141	1	ChEMBL_1898002 (CHEMBL4400037)	Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay
50009141	2	ChEMBL_1897998 (CHEMBL4400033)	Inhibition of IP6K3 (unknown origin) incubated for 120 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay
50009141	3	ChEMBL_1897997 (CHEMBL4400032)	Inhibition of IP6K1 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis
50009141	4	ChEMBL_1897996 (CHEMBL4400031)	Inhibition of IP6K2 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis
50009141	5	ChEMBL_1897999 (CHEMBL4400034)	Inhibition of IP6K2 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assay
50009141	6	ChEMBL_1897995 (CHEMBL4400030)	Inhibition of IP6K3 (unknown origin) in presence of ATP at Km concentration by Cheng-Prusoff equation analysis
50009143	1	ChEMBL_1898061 (CHEMBL4400096)	Inhibition of activated coagulation factor 11 (unknown origin) assessed as inhibitory constant
50009143	2	ChEMBL_1898062 (CHEMBL4400097)	Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method
50009143	3	ChEMBL_1898085 (CHEMBL4400120)	Inhibition of activated human coagulation factor 9
50009143	4	ChEMBL_1898090 (CHEMBL4400125)	Inhibition of human activated protein C
50009143	5	ChEMBL_1898084 (CHEMBL4400119)	Inhibition of activated human coagulation factor 7
50009143	6	ChEMBL_1898086 (CHEMBL4400121)	Inhibition of activated human coagulation factor 10
50009143	7	ChEMBL_1898088 (CHEMBL4400123)	Inhibition of human thrombin
50009143	8	ChEMBL_1898089 (CHEMBL4400124)	Inhibition of human trypsin
50009143	9	ChEMBL_1898091 (CHEMBL4400126)	Inhibition of human plasmin
50009143	10	ChEMBL_1898092 (CHEMBL4400127)	Inhibition of human TPA
50009143	11	ChEMBL_1898093 (CHEMBL4400128)	Inhibition of human urokinase
50009143	12	ChEMBL_1898087 (CHEMBL4400122)	Inhibition of activated human coagulation factor 12
50009144	1	ChEMBL_1898128 (CHEMBL4400163)	Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis
50009145	1	ChEMBL_1898152 (CHEMBL4400187)	Binding affinity to recombinant human MD2 by SPR analysis
50009146	1	ChEMBL_1898203 (CHEMBL4400238)	Antagonist activity at human PPARgamma LBD expressed in yeast AH109 cells assessed as reduction in rosiglitazone-stimulated PPARgamma/CBP interaction by measuring alpha galactosidase activity using PNP-alpha-Gal as substrate by alpha-galactosidase based yeast-two hybrid assay
50009149	1	ChEMBL_1898208 (CHEMBL4400243)	Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as induction of cAMP levels after 20 mins by time-resolved fluorescence analysis
50009150	1	ChEMBL_1898233 (CHEMBL4400268)	Inhibition of recombinant human N-terminal His6-tagged full length PKG1alpha expressed in baculovirus infected Sf21 insect cells
50009150	2	ChEMBL_1898234 (CHEMBL4400269)	Inhibition of recombinant human N-terminal His6-tagged full length PKG1beta expressed in baculovirus infected Sf21 insect cells
50009151	1	ChEMBL_1898241 (CHEMBL4400276)	Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins
50009155	1	ChEMBL_1898247 (CHEMBL4400282)	Inhibition of recombinant human liver soluble epoxide hydrolase expressed in baculovirus infected Sf21 cells using NEPC as substrate by fluorescence based assay
50009155	2	ChEMBL_1898248 (CHEMBL4400283)	Inhibition of murine soluble epoxide hydrolase expressed in baculovirus infected Sf21 cells using NEPC as substrate by fluorescence based assay
50009157	1	ChEMBL_1898254 (CHEMBL4400289)	Displacement of [3H]methyl- N-alpha methylhistamine dihydrochloride from human recombinant H3 receptor expressed in CHOK1 cells measured after 30 mins by liquid scintillation counter method
50009157	2	ChEMBL_1898256 (CHEMBL4400291)	Displacement of [3H]quinuclidinyl benzilate from Wistar rat cortex muscarinic acetylcholine receptor by liquid scintillation counter method
50009157	3	ChEMBL_1898259 (CHEMBL4400294)	Inhibition of human ERG
50009157	4	ChEMBL_1898255 (CHEMBL4400290)	Displacement of [3H]methyl- N-alpha methylhistamine dihydrochloride from Sprague-Dawley rat cerebral cortex H3 receptor measured after 30 mins by scintillation counter method
50009158	1	ChEMBL_1898278 (CHEMBL4400313)	Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50009158	2	ChEMBL_1898277 (CHEMBL4400312)	Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain L1196M mutant expressed in baculovirus expression system using srctide as substrate incubated for 1 hr by mobility shift assay
50009158	3	ChEMBL_1898275 (CHEMBL4400310)	Inhibition of recombinant human N-terminal GST-tagged MET (956 to 1390 residues) cytoplasmic domain expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50009158	4	ChEMBL_1898288 (CHEMBL4400323)	Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) cytoplasmic domain G1202R mutant using srctide as substrate incubated for 1 hr by mobility shift assay
50009158	5	ChEMBL_1898286 (CHEMBL4400321)	Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using IRS1 as substrate incubated for 1 hr by mobility shift assay
50009158	6	ChEMBL_1898287 (CHEMBL4400322)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50009159	1	ChEMBL_1898304 (CHEMBL4400339)	Inhibition of mouse FAS preincubated for 30 mins in presence of acetyl coenzyme A and NADPH followed by malonyl coenzyme A addition and measured after 3 mins by spectrophotometric analysis
50009162	1	ChEMBL_1898315 (CHEMBL4400350)	Displacement of fluormone-AL Green from His-tagged/GST-fused recombinant rat androgen receptor LBD expressed in insect cells measured after 4 hrs by fluorescence polarization assay
50009164	1	ChEMBL_1898325 (CHEMBL4400360)	Inhibition of PDK1 (unknown origin) using PDCE1 as substrate incubated for 30 mins by kinase-Glo reagent based luminescence assay
50009164	2	ChEMBL_1898316 (CHEMBL4400351)	Inhibition of recombinant human N-terminal His6-tagged SUMO-fused PDK2 expressed in Escherichia coli BL-21 cells preincubated for 15 mins followed by addition of [gamma33-ATP] and measured after 90 secs by Scintillation counting method
50009164	3	ChEMBL_1898323 (CHEMBL4400358)	Inhibition of PDK2 (unknown origin) using PDCE1 as substrate incubated for 30 mins by kinase-Glo reagent based luminescence assay
50009164	4	ChEMBL_1898324 (CHEMBL4400359)	Binding affinity to PDK2 (unknown origin) assessed as dissociation constant by ITC analysis
50009164	5	ChEMBL_1898327 (CHEMBL4400362)	Inhibition of PDK4 (unknown origin) using PDCE1 as substrate incubated for 30 mins by kinase-Glo reagent based luminescence assay
50009164	6	ChEMBL_1898317 (CHEMBL4400352)	Inhibition of PDK2 (unknown origin)
50009164	7	ChEMBL_1898326 (CHEMBL4400361)	Inhibition of PDK3 (unknown origin) using PDCE1 as substrate incubated for 30 mins by kinase-Glo reagent based luminescence assay
50009166	1	ChEMBL_1898349 (CHEMBL4400384)	Inhibition of endothelial lipase (unknown origin)
50009166	2	ChEMBL_1898346 (CHEMBL4400381)	Inhibition of CYP1A2 (unknown origin)
50009166	3	ChEMBL_1898345 (CHEMBL4400380)	Inhibition of CYP2C19 (unknown origin)
50009166	4	ChEMBL_1898348 (CHEMBL4400383)	Inhibition of hepatic lipase (unknown origin)
50009166	5	ChEMBL_1898347 (CHEMBL4400382)	Inhibition of endothelial lipase in human serum
50009166	6	ChEMBL_1898351 (CHEMBL4400386)	Inhibition of CYP2D6 (unknown origin)
50009166	7	ChEMBL_1898344 (CHEMBL4400379)	Inhibition of CYP2C9 (unknown origin)
50009166	8	ChEMBL_1898352 (CHEMBL4400387)	Inhibition of CYP3A4 (unknown origin)
50009168	1	ChEMBL_1898379 (CHEMBL4400414)	Inhibition of human full length GCGR transfected in HEK293 cells assessed as reduction in glucagon-induced cAMP response by LANCE TR-FRET assay
50009168	2	ChEMBL_1898406 (CHEMBL4400441)	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate
50009168	3	ChEMBL_1898403 (CHEMBL4400438)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50009168	4	ChEMBL_1898407 (CHEMBL4400442)	Inhibition of CYP2D6 (unknown origin) using dextromethorphan as substrate
50009168	5	ChEMBL_1898402 (CHEMBL4400437)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50009168	6	ChEMBL_1898404 (CHEMBL4400439)	Inhibition of CYP2C19 (unknown origin) using S-Mephenytoin as substrate
50009168	7	ChEMBL_1898405 (CHEMBL4400440)	Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrate
50009170	1	ChEMBL_1898441 (CHEMBL4400476)	Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as substrate measured at 30 secs interval for 5 mins using 1 x 10'10M enzyme by FLINT assay
50009170	2	ChEMBL_1898423 (CHEMBL4400458)	Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as substrate measured at 30 secs interval for 5 mins by FLINT assay
50009170	3	ChEMBL_1898427 (CHEMBL4400462)	Inhibition of recombinant human C-terminal 10-His-tagged factor Xa (L24 to K488 residues) expressed in baculovirus infected Sf21 insect cells using Mca-RPKPVE-Nval-WRK(Dnp)-NH2 as substrate incubated for 40 mins by FLINT assay
50009170	4	ChEMBL_1898424 (CHEMBL4400459)	Inhibition of human recombinant N-terminal His-tagged and enterokinase cleavage site-fused KLK1 (19 to 262 residues) expressed in baculovirus infected Sf9 insect cells using R110 labelled GSK3162232A as substrate measured at 30 secs interval for 5 mins by FLINT assay
50009170	5	ChEMBL_1898435 (CHEMBL4400470)	Inhibition of recombinant human C-terminal 10-His-tagged urokinase (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	6	ChEMBL_1898430 (CHEMBL4400465)	Inhibition of recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	7	ChEMBL_1898431 (CHEMBL4400466)	Inhibition of recombinant human C-terminal 10-His-tagged KLK14 (Q19 to M248 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	8	ChEMBL_1898428 (CHEMBL4400463)	Inhibition of human C-terminal 6-His-tagged KLKB1 (G20-A638 residues) expressed in mouse NS0 cells using PFR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	9	ChEMBL_1898429 (CHEMBL4400464)	Inhibition of recombinant human C-terminal 10-His-tagged KLK7 (Glu23 to His252 residues) expressed in mouse NS0 cells using 5-FAM-E-A-L-Y-L-V-S-G-C(5-TAMRA) as substrate incubated for 40 mins by FLINT assay
50009170	10	ChEMBL_1898432 (CHEMBL4400467)	Inhibition of recombinant human N-terminal Met and 6-His-tagged matriptase (G596 to V855 residues) expressed in Escherichia coli using Boc-QAR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	11	ChEMBL_1898434 (CHEMBL4400469)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate incubated for 40 mins by FLINT assay
50009170	12	ChEMBL_1898433 (CHEMBL4400468)	Inhibition of human recombinant C-terminal 10-His-tagged thrombin (M1 to E622 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate incubated for 40 mins by FLINT assay
50009170	13	ChEMBL_1898422 (CHEMBL4400457)	Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using rhodamine-labelled tripeptide as substrate measured at 30 secs interval for 5 mins by FLINT assay
50009171	1	ChEMBL_1898464 (CHEMBL4400499)	Inhibition of human Nav1.7 expressed in HEK293 cells by automated electrophysiological patch clamp assay
50009177	1	ChEMBL_1898468 (CHEMBL4400503)	Inhibition of wild-type FGFR3 (unknown origin) expressed in mouse NIH/3T3 cells overexpressing wild type FGFR3-TACC3 assessed as inhibition of cell proliferation measured after 72 hrs by celltiter-glo assay
50009177	2	ChEMBL_1898465 (CHEMBL4400500)	Inhibition of human FGFR3 wild-type using FL-peptide substrate measured after 50 mins in presence of ATP by mobility shift assay
50009177	3	ChEMBL_1898466 (CHEMBL4400501)	Inhibition of human FGFR3 V555M mutant using FL-peptide substrate measured after 45 mins in presence of ATP by mobility shift assay
50009177	4	ChEMBL_1898469 (CHEMBL4400504)	Inhibition of FGFR3 V555M mutant (unknown origin) expressed in mouse NIH/3T3 cells overexpressing FGFR3-V555M mutant TACC3 assessed as inhibition of cell proliferation measured after 72 hrs by celltiter-glo assay
50009178	1	ChEMBL_1898492 (CHEMBL4400607)	Inhibition of human FGFR2 using Poly [E,Y] 4:1 substrate pre-incubated for 15 to 60 mins followed by ATP and [gamma33P]-ATP addition
50009178	2	ChEMBL_1898483 (CHEMBL4400598)	Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 amino acids) incubated for 60 mins by time-resolved fluorescence kinase assay
50009178	3	ChEMBL_1898470 (CHEMBL4400585)	Inhibition of human FGFR1 using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP
50009178	4	ChEMBL_1898493 (CHEMBL4400608)	Inhibition of human FGFR3 using Poly [E,Y] 4:1 substrate pre-incubated for 15 to 60 mins followed by ATP and [gamma33P]-ATP addition
50009178	5	ChEMBL_1898490 (CHEMBL4400605)	Inhibition of N-terminal GST-fused human FGFR4 cytoplasmic domain (460 to 802(end) amino acids) using CSKtide substrate incubated for 90 mins
50009178	6	ChEMBL_1898488 (CHEMBL4400603)	Inhibition of N-terminal GST-fused human FGFR2 cytoplasmic domain (399 to 821(end) amino acids) using CSKtide substrate incubated for 90 mins
50009178	7	ChEMBL_1898487 (CHEMBL4400602)	Inhibition of N-terminal GST-fused human FGFR1 cytoplasmic domain (398 to 822(end) amino acids) using CSKtide substrate incubated for 90 mins
50009178	8	ChEMBL_1898486 (CHEMBL4400601)	Inhibition of human FGFR4 incubated for 45 mins by time-resolved fluorescence kinase assay
50009178	9	ChEMBL_1898484 (CHEMBL4400599)	Inhibition of human FGFR2 incubated for 30 mins by time-resolved fluorescence kinase assay
50009178	10	ChEMBL_1898478 (CHEMBL4400593)	Inhibition of FGFR4 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins
50009178	11	ChEMBL_1898475 (CHEMBL4400590)	Inhibition of FGFR1 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins
50009178	12	ChEMBL_1898474 (CHEMBL4400589)	Inhibition of VEGFR2 (unknown origin)
50009178	13	ChEMBL_1898473 (CHEMBL4400588)	Inhibition of human FGFR4 using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP
50009178	14	ChEMBL_1898471 (CHEMBL4400586)	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP
50009178	15	ChEMBL_1898491 (CHEMBL4400606)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG substrate pre-incubated for 15 to 60 mins followed by ATP and [gamma33P]-ATP addition
50009178	16	ChEMBL_1898476 (CHEMBL4400591)	Inhibition of FGFR2 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins
50009178	17	ChEMBL_1898494 (CHEMBL4400609)	Inhibition of human FGFR4 using Poly [E,Y] 4:1 substrate pre-incubated for 15 to 60 mins followed by ATP and [gamma33P]-ATP addition
50009178	18	ChEMBL_1898489 (CHEMBL4400604)	Inhibition of N-terminal GST-fused human FGFR3 cytoplasmic domain (436 to 806(end) amino acids) using CSKtide substrate incubated for 90 mins
50009178	19	ChEMBL_1898485 (CHEMBL4400600)	Inhibition of N-terminal His6-tagged recombinant human FGFR3 (447 to 761 residues) incubated for 60 mins by time-resolved fluorescence kinase assay
50009178	20	ChEMBL_1898477 (CHEMBL4400592)	Inhibition of FGFR3 (unknown origin) using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP incubated for 30 mins
50009178	21	ChEMBL_1898472 (CHEMBL4400587)	Inhibition of human FGFR3 using poly[Glu:Tyr] (4:1) substrate and ATP and [gamma33P]-ATP
50009179	1	ChEMBL_1898498 (CHEMBL4400613)	Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 5 mins followed by ATP induction and measured after 25 mins by fluorescence assay
50009181	1	ChEMBL_1898506 (CHEMBL4400621)	Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/Pluronic F-127 probe based fluorescence assay
50009182	1	ChEMBL_1898526 (CHEMBL4400641)	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50009182	2	ChEMBL_1898527 (CHEMBL4400642)	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis
50009182	3	ChEMBL_1898529 (CHEMBL4400644)	Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis
50009182	5	ChEMBL_1898532 (CHEMBL4400647)	Inhibition of recombinant mouse 17beta-HSD1 expressed in HEK293 cells using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis
50009184	1	ChEMBL_1898578 (CHEMBL4400693)	Inhibition of wild type recombinant human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009188	1	ChEMBL_1898739 (CHEMBL4400854)	Inhibition of DOHH (unknown origin)
50009189	1	ChEMBL_1898806 (CHEMBL4400921)	Inhibition of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B
50009190	1	ChEMBL_1898860 (CHEMBL4400975)	Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman's assay
50009190	2	ChEMBL_1898859 (CHEMBL4400974)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman's assay
50009192	1	ChEMBL_1898933 (CHEMBL4401048)	Activation of recombinant human APJ expressed in rat Chem5 cells co-expressing Galpha15 by Calcium 6-QF dye based fluorescence assay
50009192	2	ChEMBL_1898932 (CHEMBL4401047)	Displacement of [125I]-(Glp1,Nle11,Try14)apelin-13 from recombinant rat EGFP-fused apelin receptor expressed in CHO cell membrane measured after 3 hrs
50009193	1	ChEMBL_1898945 (CHEMBL4401060)	Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillation counting analysis
50009193	2	ChEMBL_1898949 (CHEMBL4401064)	Displacement of [3H]-5-CT from recombinant human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis
50009193	3	ChEMBL_1898947 (CHEMBL4401062)	Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation counting analysis
50009193	4	ChEMBL_1898950 (CHEMBL4401065)	Displacement of [3H]-raclopride from recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis
50009193	5	ChEMBL_1898946 (CHEMBL4401061)	Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis
50009193	6	ChEMBL_1898948 (CHEMBL4401063)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting analysis
50009195	1	ChEMBL_1898983 (CHEMBL4401098)	Inhibition of Flag-tagged TRPM4 (unknown origin) expressed in HEK293 cells assessed as reduction in intracellular Na+ influx after 45 mins by ANG2 dye-based fluorescence assay
50009195	2	ChEMBL_1898984 (CHEMBL4401099)	Inhibition of TRPM4 (unknown origin)
50009199	1	ChEMBL_1898989 (CHEMBL4401104)	Inhibition of PTP1B A27S mutant (unknown origin)
50009199	2	ChEMBL_1898987 (CHEMBL4401102)	Inhibition of GST-fused PTP1B catalytic domain (1 to 321 residues) (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins by spectrophotometric method
50009199	3	ChEMBL_1898991 (CHEMBL4401106)	Inhibition of SHP2 (unknown origin)
50009199	4	ChEMBL_1898992 (CHEMBL4401107)	Inhibition of LAR (unknown origin)
50009199	5	ChEMBL_1898990 (CHEMBL4401105)	Inhibition of SHP1 (unknown origin)
50009199	6	ChEMBL_1898988 (CHEMBL4401103)	Inhibition of TCPTP (unknown origin)
50009199	7	ChEMBL_1899001 (CHEMBL4401116)	Binding affinity to human PTP1B (1 to 321 residues) by surface plasmon resonance analysis
50009202	1	ChEMBL_1899057 (CHEMBL4401172)	Displacement of [125I]-D-Tyr6-His5-GnRH from recombinant human GnRH receptor expressed in HEK293 cell membrane measured after 16 to 19 hrs by gamma counting method
50009203	1	ChEMBL_1899079 (CHEMBL4401194)	Inhibition of JJH350 binding to ABHD12 in mouse brain membrane proteome incubated for 20 mins by CuAAC fluorescence dependent gel-based competitive ABPP assay
50009203	2	ChEMBL_1899078 (CHEMBL4401193)	Inhibition of FP-Rh probe binding to ABHD12 in mouse brain membrane proteome incubated for 45 mins by CuAAC fluorescence dependent gel-based competitive ABPP assay
50009206	1	ChEMBL_1899108 (CHEMBL4401223)	Inhibition of estrogen receptor-alpha (unknown origin) by ELISA
50009207	1	ChEMBL_1899134 (CHEMBL4401249)	Inhibition of CMFDA binding to human N-terminal 6x-His-tagged GSTO1-1 preincubated for 30 mins followed by CMFDA addition and measured after 30 mins by in-gel fluorescence binding assay
50009208	1	ChEMBL_1899165 (CHEMBL4401280)	Inhibition of SETD8 (unknown origin) using biotinylated-H3 peptide as substrate measured after 1 hr in presence of [3H]-SAM by scintillation proximity assay
50009208	2	ChEMBL_1899166 (CHEMBL4401281)	Inhibition of SMYD2 (unknown origin) using [3H]-p53 (361 to 380 residues) as substrate after 1 hr in presence of [3H]-SAM by scintillation proximity assay
50009208	3	ChEMBL_1899170 (CHEMBL4401285)	Inhibition of CARM1 (unknown origin)
50009208	4	ChEMBL_1899168 (CHEMBL4401283)	Inhibition of EZH2 (unknown origin)
50009208	5	ChEMBL_1899176 (CHEMBL4401291)	Inhibition of EHMT2 (unknown origin)
50009208	6	ChEMBL_1899163 (CHEMBL4401278)	Inhibition of GST-tagged EHMT2 (unknown origin) using biotinylated-H3 peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by ELISA
50009208	7	ChEMBL_1899162 (CHEMBL4401277)	Inhibition of EZH2 Y641F mutant (unknown origin) using dimethylated H3K27 as substrate
50009208	8	ChEMBL_1899167 (CHEMBL4401282)	Inhibition of DOT1L in human THP1 cells assessed as reduction in H3K79 methylation measured after 7 days
50009208	9	ChEMBL_1899164 (CHEMBL4401279)	Inhibition of EZH2 (unknown origin) using unmethylated H3K27 (21 to 44 residues) as substrate
50009208	10	ChEMBL_1899161 (CHEMBL4401276)	Inhibition of recombinant full-length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM-fused biotinylated peptide as substrate by scintillation proximity assay
50009208	11	ChEMBL_1899169 (CHEMBL4401284)	Inhibition of PRMT5 (unknown origin)
50009209	1	ChEMBL_1899203 (CHEMBL4401318)	Inhibition of recombinant human full length HDAC3 using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide as substrate by fluorescence assay
50009209	2	ChEMBL_1899195 (CHEMBL4401310)	Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	3	ChEMBL_1899194 (CHEMBL4401309)	Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	4	ChEMBL_1899198 (CHEMBL4401313)	Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	5	ChEMBL_1899196 (CHEMBL4401311)	Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	6	ChEMBL_1899189 (CHEMBL4401304)	Inhibition of recombinant human HDAC4 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	7	ChEMBL_1899180 (CHEMBL4401295)	Inhibition of HDAC2 (unknown origin)
50009209	8	ChEMBL_1899207 (CHEMBL4401322)	Inhibition of recombinant human full length HDAC3 using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay
50009209	9	ChEMBL_1899206 (CHEMBL4401321)	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay
50009209	10	ChEMBL_1899205 (CHEMBL4401320)	Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using FAM-labeled acetylated peptide A as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence assay
50009209	11	ChEMBL_1899204 (CHEMBL4401319)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 insect cells using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide as substrate by fluorescence assay
50009209	12	ChEMBL_1899202 (CHEMBL4401317)	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in Sf9 insect cells using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide as substrate by fluorescence assay
50009209	13	ChEMBL_1899199 (CHEMBL4401314)	Inhibition of human recombinant full-length C-terminal GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells by fluorescence assay
50009209	14	ChEMBL_1899197 (CHEMBL4401312)	Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	15	ChEMBL_1899193 (CHEMBL4401308)	Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009209	16	ChEMBL_1899190 (CHEMBL4401305)	Inhibition of recombinant human HDAC6 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	17	ChEMBL_1899188 (CHEMBL4401303)	Inhibition of recombinant human HDAC3 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	18	ChEMBL_1899187 (CHEMBL4401302)	Inhibition of recombinant human HDAC2 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	19	ChEMBL_1899185 (CHEMBL4401300)	Inhibition of HDAC8 (unknown origin)
50009209	20	ChEMBL_1899181 (CHEMBL4401296)	Inhibition of HDAC3 (unknown origin)
50009209	21	ChEMBL_1899178 (CHEMBL4401293)	Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system using Fluor de Lys as substrate measured after 15 mins by fluorescence assay
50009209	22	ChEMBL_1899192 (CHEMBL4401307)	Inhibition of recombinant human HDAC8 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	23	ChEMBL_1899201 (CHEMBL4401316)	Inhibition of recombinant human full length C-terminal His/FALG-tagged HDAC1 expressed in Sf9 insect cells using (S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide as substrate by fluorescence assay
50009209	24	ChEMBL_1899179 (CHEMBL4401294)	Inhibition of HDAC1 (unknown origin)
50009209	25	ChEMBL_1899200 (CHEMBL4401315)	Inhibition of human recombinant HDAC3/GST-tagged NCOR1 DAD (397 to 503 residues) expressed in baculovirus expression system by fluorescence assay
50009209	26	ChEMBL_1899191 (CHEMBL4401306)	Inhibition of recombinant human HDAC7 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009209	27	ChEMBL_1899186 (CHEMBL4401301)	Inhibition of recombinant human HDAC1 using fluorescently-labeled acetylated histone peptide as substrate by microfluidic mobility shift assay
50009211	1	ChEMBL_1899208 (CHEMBL4401323)	Inhibition of HIV1 reverse transcriptase RNase H expressed in Escherichia coli JM109 using RNA/DNA duplex substrate HTS-1
50009211	2	ChEMBL_1899209 (CHEMBL4401324)	Inhibition of HIV1 reverse transcriptase polymerase using deoxynucleotide triphosphates and 18 nucleotide DNA primer annealed to 100 nucleotide DNA template after 30 mins
50009211	3	ChEMBL_1899210 (CHEMBL4401325)	Inhibition of HIV1 integrase strand transfer activity using 5'-biotinylated oligonucleotide as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50009212	1	ChEMBL_1899213 (CHEMBL4401328)	Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as substrate by fluorescence assay
50009213	1	ChEMBL_1899306 (CHEMBL4401421)	Binding affinity to human FLT3 D835H mutant expressed in baculovirus expression system
50009213	2	ChEMBL_1899307 (CHEMBL4401422)	Binding affinity to human FLT3 ITD mutant expressed in baculovirus expression system
50009213	3	ChEMBL_1899310 (CHEMBL4401425)	Binding affinity to non-auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression
50009213	4	ChEMBL_1899308 (CHEMBL4401423)	Binding affinity to human FLT3 ITD/D835V double mutant expressed in baculovirus expression system
50009213	5	ChEMBL_1899309 (CHEMBL4401424)	Binding affinity to human FLT3 ITD/F691L double mutant expressed in baculovirus expression system
50009213	6	ChEMBL_1899300 (CHEMBL4401415)	Binding affinity to auto-inhibited form of wild type human N-terminal GST-tagged FLT3 expressed in baculovirus expression
50009213	7	ChEMBL_1899286 (CHEMBL4401401)	Irreversible inhibition of recombinant human FLT3 D835Y mutant (571 to 993 residues) expressed in baculovirus expression system preincubated for 5 to 30 mins followed by myelobasic protein addition measured after 120 mins in presence of ATP by ADP-Glo assay
50009214	1	ChEMBL_1899385 (CHEMBL4401500)	Inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) after 30 mins in presence of SAM by AlphaLISA assay
50009214	2	ChEMBL_1899414 (CHEMBL4401529)	Inhibition G9a (unknown origin)
50009214	3	ChEMBL_1899386 (CHEMBL4401501)	Binding affinity to human His-tagged G9a expressed in Escherichia coli Rosetta (DE3) after 30 mins by MST binding assay
50009214	4	ChEMBL_1899396 (CHEMBL4401511)	Non-competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate at varying concentration after 30 mins in presence SAM by Lineweaver-Burk plot analysis
50009214	5	ChEMBL_1899397 (CHEMBL4401512)	Competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate after 30 mins in presence of varying concentration of SAM by Lineweaver-Burk plot analysis
50009214	6	ChEMBL_1899398 (CHEMBL4401513)	Inhibition of N-terminal GST-tagged recombinant full length human DNMT1 (2 to 1632 residues) using poly(dI-dC)):poly(dI-dC) as substrate preincubated for 20 mins followed by [3H]-SAM and measured after 60 mins by scintillation counting
50009214	7	ChEMBL_1899415 (CHEMBL4401530)	Inhibition of GLP (unknown origin)
50009214	8	ChEMBL_1899416 (CHEMBL4401531)	Inhibition of recombinant human G9a (685 to 1000 residues) using H3 peptide (1 to 20 residues) by mass spectrometry
50009214	9	ChEMBL_1899417 (CHEMBL4401532)	Inhibition of recombinant human GLP (610 to 917 residues) using H3 peptide (1 to 20 residues) by mass spectrometry
50009215	1	ChEMBL_1899421 (CHEMBL4401536)	Binding affinity to human fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS by SPR assay
50009215	2	ChEMBL_1899420 (CHEMBL4401535)	Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling preincubated for 30 mins followed by F-actin addition and measured after 45 mins by Coomassie blue staining-based SDS-PAGE analysis
50009215	3	ChEMBL_1899434 (CHEMBL4401549)	Inhibition of CYP2C9 (unknown origin)
50009215	4	ChEMBL_1899436 (CHEMBL4401551)	Binding affinity to fascin 1 (unknown origin) by SPR assay
50009215	5	ChEMBL_1899432 (CHEMBL4401547)	Inhibition of CYP2D6 (unknown origin)
50009215	6	ChEMBL_1899422 (CHEMBL4401537)	Binding affinity to human fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS by ITC
50009215	7	ChEMBL_1899431 (CHEMBL4401546)	Inhibition of CYP3A4 (unknown origin)
50009215	8	ChEMBL_1899435 (CHEMBL4401550)	Inhibition of human ERG
50009215	9	ChEMBL_1899433 (CHEMBL4401548)	Inhibition of CYP2C19 (unknown origin)
50009217	1	ChEMBL_1899529 (CHEMBL4401644)	Inhibition of recombinant human HDAC8 expressed in SF9 baculoviral system using FAM-labeled acetylated peptide as substrate by EMSA
50009217	2	ChEMBL_1899527 (CHEMBL4401642)	Inhibition of recombinant human HDAC3 expressed in SF9 baculoviral system using FAM-labeled acetylated peptide as substrate by EMSA
50009217	3	ChEMBL_1899528 (CHEMBL4401643)	Inhibition of recombinant human HDAC6 expressed in SF9 baculoviral system using FAM-labeled acetylated peptide as substrate by EMSA
50009217	4	ChEMBL_1899530 (CHEMBL4401645)	Inhibition of recombinant human HDAC11 expressed in SF9 baculoviral system using FAM-labeled acetylated peptide as substrate by EMSA
50009219	1	ChEMBL_1899630 (CHEMBL4401745)	Inhibition of mouse GAT-4 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by scintillation counting analysis
50009219	2	ChEMBL_1899631 (CHEMBL4401746)	Binding affinity to mouse GAT-1 expressed in HEK293 cells after 4 hrs in presence of NO711 by LC-ESI-MS/ms analysis
50009219	3	ChEMBL_1899621 (CHEMBL4401736)	Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis
50009219	4	ChEMBL_1899627 (CHEMBL4401742)	Inhibition of mouse GAT-1 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by scintillation counting analysis
50009219	5	ChEMBL_1899628 (CHEMBL4401743)	Inhibition of mouse GAT-2 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 10 mins by scintillation counting analysis
50009219	6	ChEMBL_1899629 (CHEMBL4401744)	Inhibition of mouse GAT-3 expressed in HEK293 cells assessed as decrease in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by scintillation counting analysis
50009219	7	ChEMBL_1899623 (CHEMBL4401738)	Inhibition of GAT-1 in rat brain homogenate
50009219	8	ChEMBL_1899622 (CHEMBL4401737)	Inhibition of GAT-1 in rat brain homogenate assessed as decrease in [3H]GABA uptake preincubated for 8 mins followed by [3H]GABA addition and measured after 8 mins by scintillation counting analysis
50009220	1	ChEMBL_1899747 (CHEMBL4401862)	Inhibition of tunicamycin-induced GFP-fused IRE1alpha (unknown origin) oligomerization expressed in HEK293 cells assessed as reduction in fluorescent foci formation after 5 hrs by fluorescence based assay
50009220	2	ChEMBL_1899714 (CHEMBL4401829)	Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP1 cleavage site preincubated for 30 mins followed by RNA XBP1 substrate addition and measured after 15 mins by FRET assay
50009220	3	ChEMBL_1899713 (CHEMBL4401828)	Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mins by FRET assay
50009220	4	ChEMBL_1899712 (CHEMBL4401827)	Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dissociation-enhanced lanthanide fluorescence immunoassay
50009220	5	ChEMBL_1899716 (CHEMBL4401831)	Inhibition of tunicamycin-induced IRE1alpha (unknown origin) expressed in HEK293 cells assessed as reduction in IRE1alpha-dependent splicing of XBP1u-luciferase mRNA by luciferase reporter gene assay
50009220	6	ChEMBL_1899752 (CHEMBL4401867)	Inhibition of thapsigargin-induced IRE1alpha (unknown origin) expressed in HEK293 cells assessed as reduction in IRE1alpha-dependent splicing of XBP1u-luciferase mRNA by luciferase reporter gene assay
50009220	7	ChEMBL_1899749 (CHEMBL4401864)	Activation of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin)-dependent cleavage of FAM-labeled stem-loop RNA containing the XBP1 cleavage site preincubated for 30 mins followed by RNA XBP1 substrate addition and measured after 15 mins by FRET assay
50009221	1	ChEMBL_1899759 (CHEMBL4401874)	Inhibition of Salmonella typhimurium LsrK expressed in Escherichia coli MET1158 using (S)-DPD as substrate after 15 mins by Kinase Glo luminescence assay
50009222	1	ChEMBL_1899761 (CHEMBL4401876)	Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase binding assay
50009222	2	ChEMBL_1899763 (CHEMBL4401878)	Binding affinity to BRD4 (unknown origin) by isothermal calorimetry
50009222	3	ChEMBL_1899773 (CHEMBL4401888)	Binding affinity to human ALK F1174L mutant (1088 to 1409 residues) expressed in mammalian expression system by kinome scan-based assay
50009222	4	ChEMBL_1899764 (CHEMBL4401879)	Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay
50009222	5	ChEMBL_1899780 (CHEMBL4401895)	Inhibition of full-length C-terminal NanoLuc-tagged ALK (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement assay
50009222	6	ChEMBL_1899779 (CHEMBL4401894)	Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement assay
50009222	7	ChEMBL_1899769 (CHEMBL4401884)	Binding affinity to wild type human ALK (1088 to 1409 residues) expressed in mammalian expression system by kinome scan-based assay
50009222	8	ChEMBL_1899770 (CHEMBL4401885)	Binding affinity to human INSR (997 to 1318 residues) expressed in mammalian expression system by kinome scan-based assay
50009222	9	ChEMBL_1899772 (CHEMBL4401887)	Binding affinity to human PLK3 (42 to 334 residues) expressed in mammalian expression system by kinome scan-based assay
50009222	10	ChEMBL_1899778 (CHEMBL4401893)	Inhibition of ALK F1174L mutant auto-phosphorylation in human Kelly cells after 3 hrs by MSD assay
50009222	11	ChEMBL_1899794 (CHEMBL4401909)	Inhibition of ALK (unknown origin)
50009222	12	ChEMBL_1899795 (CHEMBL4401910)	Binding affinity to PLK1 (unknown origin)
50009222	13	ChEMBL_1899771 (CHEMBL4401886)	Binding affinity to human PLK1 (33 to 325 residues) expressed in mammalian expression system by kinome scan-based assay
50009223	1	ChEMBL_1899798 (CHEMBL4401913)	Transactivation of GAL4-fused mouse RARbeta-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay
50009223	2	ChEMBL_1899797 (CHEMBL4401912)	Transactivation of GAL4-fused mouse RARalpha-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay
50009223	3	ChEMBL_1899800 (CHEMBL4401915)	Transactivation of GAL4-fused mouse RARgamma-LBD expressed in COS-7 cells after 24 hrs by bright-Glo reagent based assay
50009223	4	ChEMBL_1899808 (CHEMBL4401923)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50009223	5	ChEMBL_1899842 (CHEMBL4401957)	Transactivation of GAL4 DBD-fused human RARbeta-LBD expressed in HEK293 cells by beta-lactamase reporter gene based assay
50009223	6	ChEMBL_1899806 (CHEMBL4401921)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50009223	7	ChEMBL_1899807 (CHEMBL4401922)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50009223	8	ChEMBL_1899809 (CHEMBL4401924)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50009223	9	ChEMBL_1899810 (CHEMBL4401925)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50009224	1	ChEMBL_1899847 (CHEMBL4401962)	Inhibition of human recombinant MAO-B expressed in insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 15 mins by resorufin dye-based fluorescence assay
50009224	2	ChEMBL_1899846 (CHEMBL4401961)	Inhibition of human recombinant MAO-A expressed in insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 15 mins by resorufin dye-based fluorescence assay
50009225	1	ChEMBL_1899849 (CHEMBL4401964)	Inhibition of human factor Xa using Z-D-Arg-Gly-Arg-pNA.2HCl as substrate preincubated for 15 mins followed by substrate addition by UV absorption analysis
50009226	1	ChEMBL_1899851 (CHEMBL4401966)	Binding affinity to NMDA receptor (unknown origin)
50009227	1	ChEMBL_1899861 (CHEMBL4401976)	Inhibition of human recombinant G6A iPLA2 using arachidonyl-1-14C PAPC and PAPC incubated for 30 mins by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay
50009227	2	ChEMBL_1899863 (CHEMBL4401978)	Inhibition of human recombinant G4A cPLA2 using arachidonyl-1-14C PAPC , PAPC and PIP2 incubated for 30 mins by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay
50009229	1	ChEMBL_1899890 (CHEMBL4402005)	Inhibition of human iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO capture assay
50009229	2	ChEMBL_1899889 (CHEMBL4402004)	Inhibition of human endothelial NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO capture assay
50009229	3	ChEMBL_1899882 (CHEMBL4401997)	Inhibition of rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO capture assay
50009229	4	ChEMBL_1899891 (CHEMBL4402006)	Inhibition of mouse iNOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO capture assay
50009229	5	ChEMBL_1899883 (CHEMBL4401998)	Inhibition of human neuronal NOS expressed in Escherichia coli using L-arginine as substrate in presence of human oxyhemoglobin after 6 mins by hemoglobin NO capture assay
50009230	1	ChEMBL_1899906 (CHEMBL4402021)	Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins in presence of NADPH
50009230	2	ChEMBL_1899908 (CHEMBL4402023)	Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting assay
50009231	1	ChEMBL_1899973 (CHEMBL4402088)	Agonist activity at human RXFP4 expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation preincubated for 30 mins followed by forskolin-stimulation and measured after 30 mins by HTRF assay
50009231	2	ChEMBL_1899970 (CHEMBL4402085)	Agonist activity at human RXFP3 expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation preincubated for 30 mins followed by forskolin-stimulation and measured after 30 mins by HTRF assay
50009231	3	ChEMBL_1899972 (CHEMBL4402087)	Displacement of [125I]-R3/I5 from human RXFP3 expressed in CHOK1 cell membranes by radioligand binding assay
50009231	4	ChEMBL_1899975 (CHEMBL4402090)	Agonist activity at human RXFP3 expressed in CHOK1 cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 3 hrs by scintillation counting method
50009231	5	ChEMBL_1899976 (CHEMBL4402091)	Agonist activity at human RXFP4 expressed in CHOK1 cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 3 hrs by scintillation counting method
50009231	6	ChEMBL_1899977 (CHEMBL4402092)	Agonist activity at human RXFP3/4 in human U2OS cells assessed as induction of beta-arrestin recruitment incubated for 1 hr by chemiluminescence based PathHunter beta-arrestin assay
50009233	1	ChEMBL_1899994 (CHEMBL4402109)	Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay
50009234	1	ChEMBL_1900025 (CHEMBL4402140)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50009234	2	ChEMBL_1900028 (CHEMBL4402143)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50009234	3	ChEMBL_1900027 (CHEMBL4402142)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50009234	4	ChEMBL_1900026 (CHEMBL4402141)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50009240	1	ChEMBL_1900041 (CHEMBL4402156)	Inhibition of JAK2 in Lewis rat T cells assessed as reduction in ConA/CD3/CD28-induced cell proliferation measured after 72 hrs by alamar blue staining based fluorescence assay
50009240	2	ChEMBL_1900034 (CHEMBL4402149)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using TK-biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50009240	3	ChEMBL_1900033 (CHEMBL4402148)	Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using TK-biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50009240	4	ChEMBL_1900031 (CHEMBL4402146)	Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using TK-biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50009240	5	ChEMBL_1900049 (CHEMBL4402164)	Inhibition of JAK1/3 in human NK92 cells assessed as reduction in IL2-induced STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation and measured after 20 mins by Western blot analysis
50009240	6	ChEMBL_1900040 (CHEMBL4402155)	Inhibition of JAK2 in Lewis rat T cells assessed as reduction in IL-2-induced cell proliferation measured after 72 hrs by alamar blue staining based fluorescence assay
50009243	1	ChEMBL_1900120 (CHEMBL4402235)	Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by RapidFire high-throughput mass spectrometry assay
50009243	2	ChEMBL_1900131 (CHEMBL4402246)	Binding affinity to full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) by tryptophan fluorescence quenching assay
50009243	3	ChEMBL_1900123 (CHEMBL4402238)	Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and measured after 30 mins by RapidFire high-throughput mass spectrometry assay
50009243	4	ChEMBL_1900176 (CHEMBL4402291)	Binding affinity to full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) measured after 1 hr by Green fluorescent probe-based fluorescence polarization assay
50009244	1	ChEMBL_1900178 (CHEMBL4402293)	Inhibition of Wistar rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition and measured for 4 mins by spectrophotometric method
50009244	2	ChEMBL_1900177 (CHEMBL4402292)	Inhibition of Wistar rat lens ALR2 using L-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition and measured for 4 mins by spectrophotometric method
50009246	1	ChEMBL_1900190 (CHEMBL4402305)	Antagonist activity at human OX1 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 15 mins followed by orexin-A addition and measured by FURA 2-AM dye based fluorescence assay
50009246	2	ChEMBL_1900191 (CHEMBL4402306)	Antagonist activity at human OX2 receptor expressed in CHOK1 cells assessed as inhibition of orexin-A-induced calcium mobilization preincubated for 15 mins followed by orexin-A addition and measured by FURA 2-AM dye based fluorescence assay
50009247	1	ChEMBL_1900214 (CHEMBL4402329)	Activation of recombinant rat CNGA2 expressed in Xenopus laevis oocyte assessed as increase in current amplitude by patch-clamp electrophysiology method
50009247	2	ChEMBL_1900219 (CHEMBL4402334)	Inhibition of 8Fluo-cAMP binding to DEP domain deficient mouse EPAC2 (280 to 988 residues) measured after 5 mins by fluorescence polarization assay
50009247	3	ChEMBL_1900213 (CHEMBL4402328)	Activation of recombinant rat CNGA2/CNGA4/CNGB1b heterotetramer expressed in Xenopus laevis oocyte assessed as increase in current amplitude by patch-clamp electrophysiology method
50009247	4	ChEMBL_1900218 (CHEMBL4402333)	Inhibition of 8Fluo-cAMP binding to recombinant human His-tagged EPAC1 (157 to 881 residues) expressed in Escherichia coli measured after 5 mins by fluorescence polarization assay
50009247	5	ChEMBL_1900215 (CHEMBL4402330)	Activation of recombinant mouse HCN2 expressed in Xenopus laevis oocyte assessed as increase in current amplitude at -30 mV holding potential by patch-clamp electrophysiology method
50009248	1	ChEMBL_1900220 (CHEMBL4402335)	Displacement of (-)-thalidomide-alexa fluor/pomalidomide-fluorescein conjugated probe from DDBI fused CRBN (unknown origin) measured after 60 mins by fluorescence polarization assay
50009250	1	ChEMBL_1900248 (CHEMBL4402363)	Inhibition of recombinant human full length N-terminal GST-fused PKCi (1 to 587 residues) expressed in baculovirus expression system using 5-FAM-RFARKGSLRQKNV as substrate measured after 60 mins by caliper microfluidic mobility shift assay
50009253	1	ChEMBL_1900272 (CHEMBL4402387)	Inhibition of N-terminal His6-tagged Thermus thermophilus HB8 MqnE expressed in Escherichia coli BL21 (DE3) co-expressing [4Fe-4S]2+ cluster using 3-(1-carboxyvinyloxy)benzoic acid as substrate preincubated for 15 mins in presence of SAM and substrate followed by Ti(3+)citrate addition and measured by discontinuous HPLC analysis
50009254	1	ChEMBL_1900330 (CHEMBL4402445)	Inhibition of TYK2 JH2 domain in IFNalpha/IL23-stimulated human Kit225 cells by luciferase reporter assay
50009254	2	ChEMBL_1900331 (CHEMBL4402446)	Inhibition of TYK2 JH2 domain in human whole blood assessed as decrease in IFNalpha/IL2-induced STAT phosphorylation preincubated for 1 hr followed by IFNalpha/IL2 stimulation and measured after 15 mins by fluorescence assay
50009254	4	ChEMBL_1900329 (CHEMBL4402444)	Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mins by HTRF assay
50009254	5	ChEMBL_1900360 (CHEMBL4402475)	Inhibition of JAK1 (unknown origin)
50009254	6	ChEMBL_1900362 (CHEMBL4402477)	Inhibition of JAK3 (unknown origin)
50009254	8	ChEMBL_1900361 (CHEMBL4402476)	Inhibition of JAK2 (unknown origin)
50009255	1	ChEMBL_1900393 (CHEMBL4402615)	Mixed type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry based Dixon plot analysis
50009255	2	ChEMBL_1900392 (CHEMBL4402614)	Inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry
50009255	3	ChEMBL_1900395 (CHEMBL4402617)	Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry
50009255	4	ChEMBL_1900400 (CHEMBL4402622)	Inhibition of diphenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophotometry
50009255	5	ChEMBL_1900398 (CHEMBL4402620)	Mixed type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophotometry based Dixon plot analysis
50009255	6	ChEMBL_1900397 (CHEMBL4402619)	Inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophotometry
50009255	7	ChEMBL_1900399 (CHEMBL4402621)	Competitive type inhibition of diphenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA substrate by UV-Vis spectrophotometry based Dixon plot analysis
50009255	8	ChEMBL_1900394 (CHEMBL4402616)	Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry based Dixon plot analysis
50009256	1	ChEMBL_1900460 (CHEMBL4402682)	Inhibition of MraY in Escherichia coli
50009256	2	ChEMBL_1900510 (CHEMBL4402732)	Inhibition of MraY in Staphylococcus aureus
50009256	3	ChEMBL_1900477 (CHEMBL4402699)	Inhibition of MraY in Aquifex aeolicus
50009256	4	ChEMBL_1900500 (CHEMBL4402722)	Inhibition of MraY in Bacillus subtilis
50009256	5	ChEMBL_1900476 (CHEMBL4402698)	Inhibition of MraY in Bacillus subtilis using UDP-MurNAc-[14C]pentapeptide as substrate by radioactivity scanning assay
50009257	1	ChEMBL_1900546 (CHEMBL4402768)	Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes
50009257	2	ChEMBL_1900545 (CHEMBL4402767)	Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes
50009257	3	ChEMBL_1900547 (CHEMBL4402769)	Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes
50009258	1	ChEMBL_1900639 (CHEMBL4402861)	Substrate activity at NET in human SK-N-SH cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG by gamma counting method
50009258	2	ChEMBL_1900638 (CHEMBL4402860)	Substrate activity at NET in human BE(2)-C cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG by gamma counting method
50009258	3	ChEMBL_1900640 (CHEMBL4402862)	Substrate activity at NET in human SK-N-SH cells cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG at 37 degC by filtration based gamma counting method
50009258	4	ChEMBL_1900642 (CHEMBL4402864)	Substrate activity at NET in human BE(2)-C cells cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG at 37 degC by filtration based gamma counting method
50009258	5	ChEMBL_1900643 (CHEMBL4402865)	Substrate activity at NET in human BE(2)-C cells cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG at 4 degC by filtration based gamma counting method
50009258	6	ChEMBL_1900641 (CHEMBL4402863)	Substrate activity at NET in human SK-N-SH cells cells assessed as inhibition of drug uptake by measuring MIBG IC50 incubated for 1 hr in presence of nonradioactive MIBG at 4 degC by filtration based gamma counting method
50009263	1	ChEMBL_1900682 (CHEMBL4402904)	Inhibition of wild-type human CHK1 (1 to 289 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by ATP addition and measured after 50 mins by caliper assay
50009263	2	ChEMBL_1900678 (CHEMBL4402900)	Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in Sf9 insect cells by HTRF assay
50009263	3	ChEMBL_1900680 (CHEMBL4402902)	Inhibition of C-terminal His6-tagged human JNK1alpha1 (1 to 364 residues) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in MKK7-mediated JNK1alpha1 activation incubated for 60 mins by microbeta scintillation counting analysis
50009263	4	ChEMBL_1900681 (CHEMBL4402903)	Inhibition of wild-type human P38alpha MAPK expressed in Escherichia coli Rosetta cells
50009263	5	ChEMBL_1900685 (CHEMBL4402907)	Inhibition of wild-type BCR-ABL (unknown origin) expressed in mouse Ba/F3 cells as cell growth inhibition after 48 hrs by MTT assay
50009263	6	ChEMBL_1900684 (CHEMBL4402906)	Displacement of fluorescent PIFtide from PDK1 (50 to 359 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 1 hr by fluorescence polarization competitive binding assay
50009263	7	ChEMBL_1900679 (CHEMBL4402901)	Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lanthascreen TR-FRET assay
50009265	1	ChEMBL_1900695 (CHEMBL4402917)	Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method
50009265	2	ChEMBL_1900692 (CHEMBL4402914)	Inhibition of recombinant human 5-LOX using Arachidonic acid as substrate by H2DCFD dye based fluorescence method
50009265	3	ChEMBL_1900689 (CHEMBL4402911)	Inhibition of 5-LOX (unknown origin) after 5 mins by colorimetric method
50009265	4	ChEMBL_1900700 (CHEMBL4402922)	Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition and measured after 10 mins by RP-HPLC method
50009265	5	ChEMBL_1900694 (CHEMBL4402916)	Inhibition of 5-LOX in A23187-stimulated human neutrophils preincubated for 15 mins followed by A23187 stimulation and measured after 10 mins
50009265	6	ChEMBL_1900690 (CHEMBL4402912)	Inhibition of rat 5-LOX expressed in insect sf21 cells preincubated for 4 mins followed by Arachidonic acid addition and measured after 4 mins by FOX assay
50009265	7	ChEMBL_1900688 (CHEMBL4402910)	Competitive inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 cells using Arachidonic acid as substrate by UV absorbance
50009265	8	ChEMBL_1900696 (CHEMBL4402918)	Inhibition of human leukocyte 5-LOX using arachidonic acid as substrate by UV/Vis spectrophotometry
50009265	9	ChEMBL_1900686 (CHEMBL4402908)	Inhibition of recombinant human 5-LOX expressed in baculovirus-infected insect cells preincubated for 10 mins followed by Arachidonic acid and ATP addition and measured after 20 mins by H2DCFD dye based fluorescence method
50009271	1	ChEMBL_1900857 (CHEMBL4403079)	Inhibition of human erythrocyte CuZn-SOD
50009273	1	ChEMBL_1900979 (CHEMBL4403201)	Inhibition of HIV-1 NL4-3 integrase E92Q/N155H double mutant
50009273	2	ChEMBL_1900963 (CHEMBL4403185)	Inhibition of wild type HIV-2 ROD9 integrase
50009273	3	ChEMBL_1900977 (CHEMBL4403199)	Inhibition of HIV-1 NL4-3 integrase T97A/Y143C double mutant
50009273	4	ChEMBL_1900978 (CHEMBL4403200)	Inhibition of HIV-1 NL4-3 integrase G140S/Q148R double mutant
50009273	5	ChEMBL_1900980 (CHEMBL4403202)	Inhibition of HIV-1 reverse transcriptase after 1 hr by ELISA
50009273	6	ChEMBL_1900999 (CHEMBL4403221)	Inhibition of wild type HIV-1 reverse transcriptase
50009273	7	ChEMBL_1900976 (CHEMBL4403198)	Inhibition of wild type HIV-1 NL4-3 integrase
50009274	1	ChEMBL_1901006 (CHEMBL4403228)	Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene assay
50009275	1	ChEMBL_1901018 (CHEMBL4403240)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate measured after 1 hr by MAO-glo assay
50009275	2	ChEMBL_1901019 (CHEMBL4403241)	Inhibition of porcine kidney DAO measured after 1 hrs by ROS-glo assay
50009275	3	ChEMBL_1901020 (CHEMBL4403242)	Inhibition of recombinant human SSAO expressed in CHO cells using luminogenic MAO substrate measured after 1 hr by MAO-glo assay
50009275	4	ChEMBL_1901021 (CHEMBL4403243)	Inhibition of human ERG expressed in CHOK1 cells by Qpatch electrophysiological assay
50009275	5	ChEMBL_1901010 (CHEMBL4403232)	Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expressed in mouse NS0 cells using cadaverine hydrochloride as substrate preincubated for 1 hr followed by substrate addition by ROS-Glo assay
50009275	6	ChEMBL_1901015 (CHEMBL4403237)	Inhibition of recombinant C-terminal His-tagged human LOXL3 (1 to 753 residues) expressed in CHO cells using cadaverine hydrochloride as substrate preincubated for 1 hr followed by substrate addition by ROS-Glo assay
50009275	7	ChEMBL_1901017 (CHEMBL4403239)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate measured after 1 hr by MAO-glo assay
50009275	8	ChEMBL_1901009 (CHEMBL4403231)	Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expressed in mouse NS0 cells using cadaverine hydrochloride as substrate preincubated for 20 mins followed by substrate addition by ROS-Glo assay
50009275	9	ChEMBL_1901011 (CHEMBL4403233)	Inhibition of human C-terminal His10-tagged LOXL2 (Met1 to Gln774 residues) expressed in mouse NS0 cells using cadaverine hydrochloride as substrate preincubated for 3 hrs followed by substrate addition by ROS-Glo assay
50009278	1	ChEMBL_1901060 (CHEMBL4403282)	Inhibition of CYP2D6 (unknown origin)
50009278	2	ChEMBL_1901057 (CHEMBL4403279)	Inhibition of CYP1A2 (unknown origin)
50009278	3	ChEMBL_1901041 (CHEMBL4403263)	Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay
50009278	4	ChEMBL_1901042 (CHEMBL4403264)	Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay
50009278	5	ChEMBL_1901050 (CHEMBL4403272)	Inhibition of HSP90 (unknown origin)
50009278	6	ChEMBL_1901039 (CHEMBL4403261)	Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assay
50009278	7	ChEMBL_1901040 (CHEMBL4403262)	Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay
50009278	8	ChEMBL_1901055 (CHEMBL4403277)	Inhibition of PDHK2 (unknown origin) assessed as reduction in NAD measured for 30 mins
50009278	9	ChEMBL_1901056 (CHEMBL4403278)	Inhibition of PDHK4 (unknown origin) assessed as reduction in NAD measured for 30 mins
50009278	10	ChEMBL_1901058 (CHEMBL4403280)	Inhibition of CYP2C9 (unknown origin)
50009278	11	ChEMBL_1901059 (CHEMBL4403281)	Inhibition of CYP2C19 (unknown origin)
50009278	12	ChEMBL_1901061 (CHEMBL4403283)	Inhibition of CYP3A4 (unknown origin)
50009279	1	ChEMBL_1901083 (CHEMBL4403305)	Inhibition of P-gp in human 12D7-MDR cells using NBD-Aba as substrate after 30 mins by flow cytometric analysis
50009279	2	ChEMBL_1901100 (CHEMBL4403322)	Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate
50009279	3	ChEMBL_1901085 (CHEMBL4403307)	Inhibition of P-gp in human CMEC/D3 cells using NBD-Aba as substrate after 30 mins by flow cytometric analysis
50009279	4	ChEMBL_1901084 (CHEMBL4403306)	Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysis
50009279	5	ChEMBL_1901082 (CHEMBL4403304)	Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate after 30 mins by flow cytometric analysis
50009280	1	ChEMBL_1901117 (CHEMBL4403339)	Inhibition of CDK1 (unknown origin)
50009280	2	ChEMBL_1901123 (CHEMBL4403345)	Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay
50009280	3	ChEMBL_1901120 (CHEMBL4403342)	Inhibition of CDK5 (unknown origin)
50009280	4	ChEMBL_1901118 (CHEMBL4403340)	Inhibition of CDK2 (unknown origin)
50009280	5	ChEMBL_1901130 (CHEMBL4403352)	Inhibition of CDK7 (unknown origin) after 4 hrs
50009280	6	ChEMBL_1901121 (CHEMBL4403343)	Inhibition of CDK6 (unknown origin)
50009280	7	ChEMBL_1901122 (CHEMBL4403344)	Inhibition of CDK9 (unknown origin)
50009280	8	ChEMBL_1901116 (CHEMBL4403338)	Inhibition of CDK7 (unknown origin)
50009280	9	ChEMBL_1901125 (CHEMBL4403347)	Inhibition of CDK2/cycE1 (unknown origin) by luciferase reporter gene assay
50009280	10	ChEMBL_1901119 (CHEMBL4403341)	Inhibition of CDK4 (unknown origin)
50009280	11	ChEMBL_1901131 (CHEMBL4403353)	Inhibition of CDK2 (unknown origin) after 4 hrs
50009280	12	ChEMBL_1901132 (CHEMBL4403354)	Inhibition of CDK9 (unknown origin) after 4 hrs
50009280	13	ChEMBL_1901127 (CHEMBL4403349)	Inhibition of CDK5 (unknown origin) by luciferase reporter gene assay
50009280	14	ChEMBL_1901124 (CHEMBL4403346)	Inhibition of CDK1 (unknown origin) by luciferase reporter gene assay
50009280	15	ChEMBL_1901126 (CHEMBL4403348)	Inhibition of CDK4 (unknown origin) by luciferase reporter gene assay
50009280	16	ChEMBL_1901128 (CHEMBL4403350)	Inhibition of CDK6 (unknown origin) by luciferase reporter gene assay
50009280	17	ChEMBL_1901129 (CHEMBL4403351)	Inhibition of CDK9 (unknown origin) by luciferase reporter gene assay
50009282	2	ChEMBL_1901166 (CHEMBL4403388)	Inhibition of human 20S proteasome beta 5i
50009282	3	ChEMBL_1901151 (CHEMBL4403373)	Inhibition of 20S proteasome beta 2c (unknown origin) after 1 hr by fluorescence based assay
50009282	4	ChEMBL_1901153 (CHEMBL4403375)	Inhibition of 20S proteasome beta 5c (unknown origin) after 1 hr by fluorescence based assay
50009282	5	ChEMBL_1901160 (CHEMBL4403382)	Inhibition of 20S proteasome beta 1i (unknown origin)
50009282	6	ChEMBL_1901149 (CHEMBL4403371)	Inhibition of 20S proteasome beta 1c (unknown origin) after 1 hr by fluorescence based assay
50009282	7	ChEMBL_1901154 (CHEMBL4403376)	Inhibition of 20S proteasome beta 5i (unknown origin) after 1 hr by fluorescence based assay
50009282	8	ChEMBL_1901150 (CHEMBL4403372)	Inhibition of 20S proteasome beta 1i (unknown origin) after 1 hr by fluorescence based assay
50009282	9	ChEMBL_1901152 (CHEMBL4403374)	Inhibition of 20S proteasome beta 2i (unknown origin) after 1 hr by fluorescence based assay
50009282	10	ChEMBL_1901158 (CHEMBL4403380)	Inhibition of 20S proteasome beta 5i (unknown origin)
50009282	11	ChEMBL_1901159 (CHEMBL4403381)	Inhibition of 20S proteasome beta 5c (unknown origin)
50009282	12	ChEMBL_1901161 (CHEMBL4403383)	Inhibition of 20S proteasome beta 1c (unknown origin)
50009282	13	ChEMBL_1901162 (CHEMBL4403384)	Inhibition of 20S proteasome beta 2i (unknown origin)
50009282	14	ChEMBL_1901163 (CHEMBL4403385)	Inhibition of 20S proteasome beta 2c (unknown origin)
50009282	16	ChEMBL_1901167 (CHEMBL4403389)	Inhibition of human 20S proteasome beta 5c
50009283	1	ChEMBL_1901237 (CHEMBL4403459)	Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography
50009283	2	ChEMBL_1901236 (CHEMBL4403458)	Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography
50009283	3	ChEMBL_1901235 (CHEMBL4403457)	Inhibition of rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography
50009283	4	ChEMBL_1901234 (CHEMBL4403456)	Inhibition of rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography
50009284	1	ChEMBL_1901249 (CHEMBL4403471)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay
50009284	2	ChEMBL_1901248 (CHEMBL4403470)	Inhibition of mushroom tyrosinase preincubated for 10 mins followed by L-DOPA addition and measured for 1 mins by spectrophotometric assay
50009286	1	ChEMBL_1901259 (CHEMBL4403481)	Inhibition of human DHODH
50009286	2	ChEMBL_1901273 (CHEMBL4403495)	Inhibition of Schistosoma mansoni DHODH
50009286	3	ChEMBL_1901253 (CHEMBL4403475)	Inhibition of DHODH (unknown origin)
50009287	1	ChEMBL_1901279 (CHEMBL4403501)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured at 1 min intervals for 5 mins by Ellman's method
50009287	2	ChEMBL_1901277 (CHEMBL4403499)	Inhibition of beta amyloid in human SH-SY5Y cells
50009287	3	ChEMBL_1901284 (CHEMBL4403506)	Inhibition of MAO-A (unknown origin)
50009287	4	ChEMBL_1901278 (CHEMBL4403500)	Inhibition of beta amyloid (unknown origin) after 12 to 24 hrs
50009291	1	ChEMBL_1901353 (CHEMBL4403575)	Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotometric method
50009291	2	ChEMBL_1901357 (CHEMBL4403579)	Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN8463 assessed as beta-lactamase activity incubated for 80 mins by spectrophotometric method
50009291	3	ChEMBL_1901356 (CHEMBL4403578)	Inhibition of AgrC in mid-exponential phase Staphylococcus aureus SA502A assessed as beta-lactamase activity incubated for 80 mins by spectrophotometric method
50009293	1	ChEMBL_1901389 (CHEMBL4403611)	Inhibition of Escherichia coli TEM-1 beta-lactamase
50009294	1	ChEMBL_1901446 (CHEMBL4403668)	Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 5 hrs by fluorescence polarization assay
50009294	2	ChEMBL_1901426 (CHEMBL4403648)	Inhibition of His6-tagged N-terminal human HSP90alpha expressed in Escherichia coli BL21 Lys cells preincubated for 10 mins followed by SA-APC and biotin-GM addition and measured after 6 hrs by TR-FRET assay
50009294	3	ChEMBL_1901435 (CHEMBL4403657)	Inhibition of N-terminal HSP90 (unknown origin) expressed in Escherichia coli by isothermal titration calorimetry
50009294	4	ChEMBL_1901439 (CHEMBL4403661)	Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay
50009294	5	ChEMBL_1901442 (CHEMBL4403664)	Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human TRAP1 (60 to 704 residues) expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay
50009294	6	ChEMBL_1901443 (CHEMBL4403665)	Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay
50009294	7	ChEMBL_1901444 (CHEMBL4403666)	Displacement of FITC-geldanamycin from HSP90beta (unknown origin) after 24 hrs by fluorescence polarization assay
50009294	8	ChEMBL_1901447 (CHEMBL4403669)	Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 5 hrs by fluorescence polarization assay
50009294	9	ChEMBL_1901445 (CHEMBL4403667)	Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay
50009294	10	ChEMBL_1901424 (CHEMBL4403646)	Binding affinity to HSP90 (unknown origin) by isothermal titration calorimetry
50009294	11	ChEMBL_1901441 (CHEMBL4403663)	Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human GRP94 expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay
50009294	12	ChEMBL_1901440 (CHEMBL4403662)	Inhibition of FITC-geldanamycin binding to recombinant human HSP90beta expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-FITC addition and measured after 5 hrs by fluorescence polarization competitive binding assay
50009297	1	ChEMBL_1901489 (CHEMBL4403711)	Inhibition of Nrf2 (unknown origin)
50009297	2	ChEMBL_1901488 (CHEMBL4403710)	Binding affinity to Keap1 (unknown origin)
50009300	1	ChEMBL_1901498 (CHEMBL4403720)	Binding affinity to GABA-A alpha5 (unknown origin)
50009300	2	ChEMBL_1901497 (CHEMBL4403719)	Binding affinity to GABA-A alpha3 (unknown origin)
50009300	3	ChEMBL_1901513 (CHEMBL4403735)	Displacement of [3H]-Ro15-1788 from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillation counting method
50009300	4	ChEMBL_1901495 (CHEMBL4403717)	Binding affinity to GABA-A alpha2 (unknown origin)
50009300	5	ChEMBL_1901496 (CHEMBL4403718)	Binding affinity to GABA-A alpha1 (unknown origin)
50009300	6	ChEMBL_1901493 (CHEMBL4403715)	Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50009300	7	ChEMBL_1901505 (CHEMBL4403727)	Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cells
50009300	8	ChEMBL_1901507 (CHEMBL4403729)	Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in Ltk cells
50009300	9	ChEMBL_1901515 (CHEMBL4403737)	Displacement of [3H]-Ro15-1788 from human GABAA alpha3beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillation counting method
50009300	10	ChEMBL_1901516 (CHEMBL4403738)	Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillation counting method
50009300	11	ChEMBL_1901517 (CHEMBL4403739)	Displacement of [3H]-flunitrazepam from human GABAA alpha1beta3gamma2 expressed in HEK293T cells by liquid scintillation counting method
50009300	12	ChEMBL_1901519 (CHEMBL4403741)	Displacement of [3H]-flunitrazepam from human GABAA alpha3beta3gamma2 expressed in HEK293T cells by liquid scintillation counting method
50009300	13	ChEMBL_1901520 (CHEMBL4403742)	Displacement of [3H]-flunitrazepam from human GABAA alpha5beta3gamma2 expressed in HEK293T cells by liquid scintillation counting method
50009300	14	ChEMBL_1901508 (CHEMBL4403730)	Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in Ltk cells
50009300	15	ChEMBL_1901500 (CHEMBL4403722)	Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50009300	16	ChEMBL_1901499 (CHEMBL4403721)	Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation counting method
50009301	1	ChEMBL_1901577 (CHEMBL4403799)	Inhibition of rat mGluR5 expressed in HEK293A cells preincubated for 140 secs followed by EC20 glutamate stimulation for 74 secs and subsequent EC80 glutamate addition and measured up to 40 secs by Fluo-4-AM dye based fluorescence assay
50009301	2	ChEMBL_1901569 (CHEMBL4403791)	Inhibition of HIV-1 protease by spectrofluorometric assay
50009301	3	ChEMBL_1901573 (CHEMBL4403795)	Inhibition of BRAF V600E mutant (unknown origin)
50009301	4	ChEMBL_1901574 (CHEMBL4403796)	Inhibition of c-RAF (unknown origin)
50009301	5	ChEMBL_1901578 (CHEMBL4403800)	Inhibition of mGluR1 (unknown origin)
50009301	6	ChEMBL_1901580 (CHEMBL4403802)	Inhibition of mGluR3 (unknown origin)
50009301	7	ChEMBL_1901581 (CHEMBL4403803)	Inhibition of mGluR4 (unknown origin)
50009301	8	ChEMBL_1901583 (CHEMBL4403805)	Inhibition of mGluR8 (unknown origin)
50009301	9	ChEMBL_1901579 (CHEMBL4403801)	Inhibition of mGluR2 (unknown origin)
50009301	10	ChEMBL_1901582 (CHEMBL4403804)	Inhibition of mGluR7 (unknown origin)
50009301	11	ChEMBL_1901584 (CHEMBL4403806)	Inhibition of Escherichia coli DNA gyrase B incubated for 60 mins by malachite green dye based spectrometric analysis
50009302	1	ChEMBL_1901610 (CHEMBL4403832)	Activation of human Kv7.5 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay
50009302	2	ChEMBL_1901607 (CHEMBL4403829)	Activation of human Kv7.2 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay
50009302	3	ChEMBL_1901601 (CHEMBL4403823)	Activation of human Kv7.2/Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay
50009302	4	ChEMBL_1901608 (CHEMBL4403830)	Activation of human Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay
50009302	5	ChEMBL_1901609 (CHEMBL4403831)	Activation of human Kv7.4 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay
50009303	1	ChEMBL_1901640 (CHEMBL4403862)	Inhibition of wild type human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system assessed as reduction in ADP formation using LRRKtide as substrate measured after 1 hr in presence of ATP by Adapta assay
50009303	2	ChEMBL_1901642 (CHEMBL4403864)	Inhibition of human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system assessed as reduction in ADP formation using LRRKtide as substrate measured after 1 hr in presence of ATP by Adapta assay
50009304	1	ChEMBL_1901659 (CHEMBL4403881)	Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method
50009304	2	ChEMBL_1901664 (CHEMBL4403886)	Agonist activity at human MOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay
50009304	3	ChEMBL_1901670 (CHEMBL4403892)	Agonist activity at human KOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay
50009304	4	ChEMBL_1901660 (CHEMBL4403882)	Displacement of [3H]-diprenorphine from human KOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method
50009304	5	ChEMBL_1901658 (CHEMBL4403880)	Displacement of [3H]-diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method
50009304	6	ChEMBL_1901668 (CHEMBL4403890)	Antagonist activity at human DOR expressed in CHO cell membranes assessed as reduction in SNC80-induced response incubated for 1 hr by [35S]-GTPgammaS coupling assay
50009304	7	ChEMBL_1901666 (CHEMBL4403888)	Agonist activity at human DOR expressed in CHO cell membranes incubated for 1 hr by [35S]-GTPgammaS coupling assay
50009305	1	ChEMBL_1901692 (CHEMBL4403914)	Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition and measured after 40 mins by fluorescence method
50009305	2	ChEMBL_1901693 (CHEMBL4403915)	Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and measured after 40 mins by fluorescence method
50009306	1	ChEMBL_1901710 (CHEMBL4403932)	Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr followed by 8 Gy irradiation and measured after 1 hr by ELISA
50009306	2	ChEMBL_1901748 (CHEMBL4403970)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	3	ChEMBL_1901709 (CHEMBL4403931)	Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins followed by substrate addition and measured after 40 mins TR-FRET assay
50009306	4	ChEMBL_1901712 (CHEMBL4403934)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human full-length GST-tagged TTK expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	5	ChEMBL_1901766 (CHEMBL4403988)	Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in anti-human IgM-induced AKT phosphorylation at T208 residue preincubated for 1 hr followed by anti-human IgM addition and measured after 10 mins by QuantaBlu substrate based fluorescence assay
50009306	6	ChEMBL_1901713 (CHEMBL4403935)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	7	ChEMBL_1901723 (CHEMBL4403945)	Inhibition of human ERG stably expressed in CHO cells at -90 mV holding potential by electrophysiological assay
50009306	8	ChEMBL_1901744 (CHEMBL4403966)	Inhibition of CYP450 (unknown origin)
50009306	9	ChEMBL_1901750 (CHEMBL4403972)	Inhibition of AlexaFluor-labeled tracer 236 binding to full-length human His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	10	ChEMBL_1901751 (CHEMBL4403973)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant full-length human His-tagged p110gamma expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	11	ChEMBL_1901760 (CHEMBL4403982)	Inhibition of ATM in human HT-29 cells assessed as reduction in irradiation-induced autophosphorylation at Ser1981 residue preincubated for 1 hr followed by 6 Gy irradiation and measured after 1 hr by Hoechst staining-based imaging analysis
50009306	12	ChEMBL_1901763 (CHEMBL4403985)	Inhibition of PDK1 in human BT474c cells assessed as reduction in AKT phosphorylation at T208 residue
50009306	13	ChEMBL_1901765 (CHEMBL4403987)	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at T208 residue measured after 2 hrs by QuantaBlu substrate based fluorescence assay
50009306	14	ChEMBL_1901767 (CHEMBL4403989)	Inhibition of PI3Kgamma in mouse RAW264 cells assessed as reduction in C5a anaphylatoxin trifluoroacetate salt-induced AKT phosphorylation at T208 residue preincubated for 1 hr followed by C5a anaphylatoxin trifluoroacetate salt addition and measured after 3 mins by QuantaBlu substrate based fluorescence assay
50009306	15	ChEMBL_1901749 (CHEMBL4403971)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant full-length human His-tagged p110beta/p85alpha expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	16	ChEMBL_1901747 (CHEMBL4403969)	Inhibition of AlexaFluor-labeled tracer 236 binding to human untagged DNA-PK expressed in baculovirus expression system measured after 60 mins by LanthaScreen assay
50009306	17	ChEMBL_1901764 (CHEMBL4403986)	Inhibition of PI3Kalpha in human BT474c cells assessed as reduction in AKT phosphorylation at T208 residue measured after 2 hrs by QuantaBlu substrate based fluorescence assay
50009306	18	ChEMBL_1901761 (CHEMBL4403983)	Inhibition of ATR in human HT-29 cells assessed as reduction in 4NQO-induced CHK1 phosphorylation at S345 residue preincubated for 1 hr followed by 4NQO addition and measured after 1 hr by Hoechst staining-based imaging analysis
50009307	1	ChEMBL_1901790 (CHEMBL4404012)	Inhibition of human erythrocyte Glyoxalase-1
50009307	2	ChEMBL_1901794 (CHEMBL4404016)	Inhibition of human Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis
50009307	3	ChEMBL_1901786 (CHEMBL4404008)	Inhibition of human erythrocyte Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis
50009307	4	ChEMBL_1901787 (CHEMBL4404009)	Competitive inhibition of recombinant mouse His-tagged Glyoxalase-1 using GSH and MGO as substrate by spectrophotometric method
50009307	5	ChEMBL_1901788 (CHEMBL4404010)	Inhibition of recombinant mouse Glyoxalase-1 expressed in Escherichia coli BL21 (DE3) pLysS cells using GSH and MGO as substrate by Dixon plot
50009307	6	ChEMBL_1901789 (CHEMBL4404011)	Inhibition of Glyoxalase-1 (unknown origin) using GSH and MGO as substrates preincubated with substrates for 6 mins followed by enzyme addition by spectrophotometric method
50009307	7	ChEMBL_1901785 (CHEMBL4404007)	Inhibition of human Glyoxalase-1
50009307	8	ChEMBL_1901791 (CHEMBL4404013)	Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate
50009307	9	ChEMBL_1901792 (CHEMBL4404014)	Competitive inhibition of human Glyoxalase-1 using GSH and MGO as substrate by Michaelis-Menten analysis
50009307	10	ChEMBL_1901793 (CHEMBL4404015)	Inhibition of Glyoxalase-1 (unknown origin)
50009308	1	ChEMBL_1901796 (CHEMBL4404018)	Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated for 30 mins by TR-FRET assay
50009308	2	ChEMBL_1901795 (CHEMBL4404017)	Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated for 60 mins by fluorescence polarization assay
50009308	3	ChEMBL_1901800 (CHEMBL4404022)	Inhibition of BAZ2A (unknown origin) by TR-FRET assay
50009309	1	ChEMBL_1901852 (CHEMBL4404074)	Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method
50009309	2	ChEMBL_1901853 (CHEMBL4404075)	Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incubated for 6 hrs by fluorescence method
50009309	3	ChEMBL_1901840 (CHEMBL4404062)	Antagonist activity at Aliivibrio fischeri LuxR by luminescence method
50009309	4	ChEMBL_1901842 (CHEMBL4404064)	Antagonist activity at Aliivibrio fischeri ES114 LuxR after 4 to 8 hrs by luminescence method
50009309	5	ChEMBL_1901839 (CHEMBL4404061)	Agonist activity at Aliivibrio fischeri LuxR by luminescence method
50009309	6	ChEMBL_1901841 (CHEMBL4404063)	Antagonist activity at Pseudomonas aeruginosa LasR transfected with lasB-GFP by luminescence method
50009309	7	ChEMBL_1901838 (CHEMBL4404060)	Inhibition of Aliivibrio fischeri LuxR by luminescence method
50009309	8	ChEMBL_1901836 (CHEMBL4404058)	Antagonist activity at LasR in Pseudomonas aeruginosa harboring plasI-LVAgfp assessed as inhibition of GFP production incubated for 6 hrs by fluorescence method
50009310	1	ChEMBL_1901965 (CHEMBL4404187)	Agonist activity at Progesterone receptor (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	2	ChEMBL_1901879 (CHEMBL4404101)	Agonist activity at FXR transfected in human HEK293T cells o-expressing pGL3/hBSEP/luc incubated for 24 hrs by Steady-Glo reagent based luciferase reporter gene assay
50009310	3	ChEMBL_1901877 (CHEMBL4404099)	Agonist activity at GST-tagged human FXR-LBD (193 to 472 residues) using biotinylated SRC-1 peptide as substrate incubated for 1 hrs by HTRF assay
50009310	4	ChEMBL_1901876 (CHEMBL4404098)	Agonist activity at ERalpha (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	5	ChEMBL_1901919 (CHEMBL4404141)	Agonist activity at human GPBAR1 expressed in Jurkat cells assessed as increase in intracellular cAMP level incubated for 1 hr by fluorescence based assay
50009310	6	ChEMBL_1901924 (CHEMBL4404146)	Agonist activity at Glucocorticoid receptor (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	7	ChEMBL_1901926 (CHEMBL4404148)	Agonist activity at PXR (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	8	ChEMBL_1901927 (CHEMBL4404149)	Agonist activity at GAL4-fused RXR LBD (unknown origin) expressed in HEK293T cells incubated for 24 by BrightGlo reagent based assay
50009310	9	ChEMBL_1901929 (CHEMBL4404151)	Agonist activity at GAL4-fused Glucocorticoid receptor (unknown origin) expressed in HEK293T cells incubated for 24 by BrightGlo reagent based assay
50009310	10	ChEMBL_1901931 (CHEMBL4404153)	Agonist activity at GAL4-fused ERalpha (unknown origin) expressed in HEK293T cells incubated for 24 by BrightGlo reagent based assay
50009310	11	ChEMBL_1901923 (CHEMBL4404145)	Agonist activity at androgen receptor (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	12	ChEMBL_1901928 (CHEMBL4404150)	Agonist activity at GAL4-fused LXR LBD (unknown origin) expressed in HEK293T cells incubated for 24 by BrightGlo reagent based assay
50009310	13	ChEMBL_1901925 (CHEMBL4404147)	Agonist activity at PPARgamma (unknown origin) incubated for 2 hrs by TR-FRET assay
50009310	14	ChEMBL_1901930 (CHEMBL4404152)	Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in HEK293T cells incubated for 24 by BrightGlo reagent based assay
50009311	1	ChEMBL_1901970 (CHEMBL4404192)	Inhibition of GDP bound biotinylated human C-terminal Avi/His6-tagged KRAS G12C mutant (1 to 166 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in SOS1-mediated GDP/GTP nucleotide exchange by preventing recognition between KRAS G12C mutant and Ras binding domain of N-terminal Avi/GST-tagged Raf-1 (51 to 149 residues) preincubated for 4 hrs followed by SOS1 and GTPgammaS addition by FRET assay
50009312	1	ChEMBL_1902026 (CHEMBL4404248)	Inhibition of SERCA2b in human platelet microsomes by enzyme-coupled method
50009312	2	ChEMBL_1902003 (CHEMBL4404225)	Inhibition of rabbit skeletal muscle microsomes SERCA1a
50009312	3	ChEMBL_1902004 (CHEMBL4404226)	Inhibition of rabbit skeletal muscle microsomes FITC-labelled SERCA1a incubated for 1 hr by fluorescence spectrophotometric method
50009312	4	ChEMBL_1902007 (CHEMBL4404229)	Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method
50009312	5	ChEMBL_1902036 (CHEMBL4404258)	Inhibition of SERCA3 in mouse testicular microsomes
50009312	6	ChEMBL_1902049 (CHEMBL4404271)	Inhibition of SERCA1 in rabbit skeletal muscle microsomes assessed as decrease in NADH absorbance by NADH-coupled enzyme assay
50009312	7	ChEMBL_1902054 (CHEMBL4404276)	Inhibition of pig gastric mucosa Potassium-transporting ATPase by malachite green based colorimetric method
50009312	8	ChEMBL_1902006 (CHEMBL4404228)	Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method
50009312	9	ChEMBL_1902008 (CHEMBL4404230)	Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method
50009312	10	ChEMBL_1902010 (CHEMBL4404232)	Inhibition of rabbit skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 40 mins
50009312	11	ChEMBL_1902012 (CHEMBL4404234)	Inhibition of rabbit skeletal muscle microsomes SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 30 mins
50009312	12	ChEMBL_1902014 (CHEMBL4404236)	Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method
50009312	13	ChEMBL_1902016 (CHEMBL4404238)	Inhibition of SERCA2a (unknown origin)
50009312	14	ChEMBL_1902020 (CHEMBL4404242)	Inhibition of rabbit skeletal muscle microsomes SERCA1a incubated for 10 mins by enzyme-coupled method
50009312	15	ChEMBL_1902024 (CHEMBL4404246)	Inhibition of SERCA1a (unknown origin) incubated for 10 mins by enzyme-coupled method
50009312	16	ChEMBL_1902027 (CHEMBL4404249)	Inhibition of SERCA3 in human platelet microsomes by enzyme-coupled method
50009312	17	ChEMBL_1902028 (CHEMBL4404250)	Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric method
50009312	18	ChEMBL_1902032 (CHEMBL4404254)	Inhibition of rabbit skeletal muscle microsomes SERCA1a by malachite green based colorimetric method
50009312	19	ChEMBL_1902033 (CHEMBL4404255)	Inhibition of rabbit SERCA1a
50009312	20	ChEMBL_1902035 (CHEMBL4404257)	Inhibition of SERCA2b in mouse testicular microsomes
50009312	21	ChEMBL_1902034 (CHEMBL4404256)	Inhibition of SERCA1a in rabbit microsomes
50009312	22	ChEMBL_1902017 (CHEMBL4404239)	Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled method
50009312	23	ChEMBL_1902031 (CHEMBL4404253)	Inhibition of rabbit SERCA1a incubated for 10 mins by enzyme-coupled method
50009312	24	ChEMBL_1902018 (CHEMBL4404240)	Inhibition of rabbit microsomes SERCA1a by enzyme-coupled method
50009315	1	ChEMBL_1902058 (CHEMBL4404280)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50009315	2	ChEMBL_1902057 (CHEMBL4404279)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50009315	3	ChEMBL_1902055 (CHEMBL4404277)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50009315	4	ChEMBL_1902056 (CHEMBL4404278)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50009316	1	ChEMBL_1902065 (CHEMBL4404287)	Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocytes by measuring hemoglobin release incubated for 15 mins
50009316	2	ChEMBL_1902070 (CHEMBL4404292)	Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) assessed as shifting of melting peak of SaClpP by differential scanning calorimetry analysis
50009316	3	ChEMBL_1902063 (CHEMBL4404285)	Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins before Suc-LY-AMC addition and measured after 1 hr by fluorescence based assay
50009316	4	ChEMBL_1902072 (CHEMBL4404294)	Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) by ITC analysis
50009316	5	ChEMBL_1902128 (CHEMBL4404350)	Inhibition of Escherichia coli ClpP
50009319	1	ChEMBL_1902236 (CHEMBL4404458)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	2	ChEMBL_1902234 (CHEMBL4404456)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	3	ChEMBL_1902237 (CHEMBL4404459)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	4	ChEMBL_1902238 (CHEMBL4404460)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	5	ChEMBL_1902240 (CHEMBL4404462)	Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	6	ChEMBL_1902241 (CHEMBL4404463)	Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	7	ChEMBL_1902239 (CHEMBL4404461)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009319	8	ChEMBL_1902235 (CHEMBL4404457)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to 30 mins by LC-MS/MS analysis
50009320	1	ChEMBL_1902246 (CHEMBL4404468)	Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD51 protein -protein interaction by competitive ELISA
50009320	2	ChEMBL_1902251 (CHEMBL4404473)	Binding affinity to recombinant His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells by microscale thermophoresis analysis
50009320	3	ChEMBL_1902252 (CHEMBL4404474)	Inhibition of RAD51 in human BxPC3 cells assessed as reduction in homologous recombination incubated for 5 hrs by RT-PCR analysis
50009322	1	ChEMBL_1902300 (CHEMBL4404522)	Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting method
50009322	2	ChEMBL_1902301 (CHEMBL4404523)	Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting method
50009322	3	ChEMBL_1902302 (CHEMBL4404524)	Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method
50009322	4	ChEMBL_1902298 (CHEMBL4404520)	Inhibition of human CD73
50009322	5	ChEMBL_1902299 (CHEMBL4404521)	Inhibition of rat CD73
50009323	1	ChEMBL_1902347 (CHEMBL4404569)	Binding affinity to immobilized mouse C-terminal Rhinovirus 3C cleavage site-fused 6xHis-tagged Frizzled-8 CRD (Q33 to G173 resideus) transfected with pDisplay_BirA-ER plasmid in HEK293T cells for biotinylation by surface plasmon resonance assay
50009324	1	ChEMBL_1902368 (CHEMBL4404590)	Inhibition of human CYP3A4
50009324	2	ChEMBL_1902369 (CHEMBL4404591)	Inhibition of human CYP2C9
50009325	1	ChEMBL_1902393 (CHEMBL4404615)	Allosteric inhibition of [3H]-2-tert-butoxy-2-[2-methyl-4-(p-tolyl)-3-quinolyl]acetic acid binding to HIV1 integrase measured after 1 hr under dark condition by microbeta plate reader method
50009326	1	ChEMBL_1902456 (CHEMBL4404678)	Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli using S-(4-nitrophenacyl)glutathione as substrate preincubated for 2 mins followed by substrate addition by 4-NPG assay
50009326	2	ChEMBL_1902458 (CHEMBL4404680)	Inhibition of recombinant GSTO1-1 (unknown origin) expressed in Escherichia coli assessed as inhibitor constant using S-(4-nitrophenacyl)glutathione as substrate preincubated for 1 to 6 mins followed by substrate addition by spectrophotmetric analysis
50009328	1	ChEMBL_1902482 (CHEMBL4404704)	Inhibition of human PDE4D2 (86 to 413 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	2	ChEMBL_1902485 (CHEMBL4404707)	Inhibition of human PDE4B1 (1 to 736 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	3	ChEMBL_1902517 (CHEMBL4404739)	Inhibition of human CYP2D6
50009328	4	ChEMBL_1902484 (CHEMBL4404706)	Inhibition of PDE4D2 (unknown origin)
50009328	5	ChEMBL_1902483 (CHEMBL4404705)	Inhibition of PDE4 (unknown origin)
50009328	6	ChEMBL_1902481 (CHEMBL4404703)	Inhibition of human PDE4B2 (152 to 487 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	7	ChEMBL_1902487 (CHEMBL4404709)	Inhibition of human PDE1B (10 to 487 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	8	ChEMBL_1902490 (CHEMBL4404712)	Inhibition of human PDE5A1 (535 to 860 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	9	ChEMBL_1902491 (CHEMBL4404713)	Inhibition of human PDE7A1 (130 to 482 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	10	ChEMBL_1902493 (CHEMBL4404715)	Inhibition of human PDE9A2 (181 to 506 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	11	ChEMBL_1902475 (CHEMBL4404697)	Inhibition of human ERG expressed in CHO cells by automated patch clamp electrophysiology
50009328	12	ChEMBL_1902515 (CHEMBL4404737)	Inhibition of human CYP2B6
50009328	13	ChEMBL_1902516 (CHEMBL4404738)	Inhibition of human CYP2C9
50009328	14	ChEMBL_1902494 (CHEMBL4404716)	Inhibition of human PDE10A2 (449 to 770 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins followed by substrate addition by liquid scintillation counting method
50009328	15	ChEMBL_1902514 (CHEMBL4404736)	Inhibition of human CYP1A2
50009328	16	ChEMBL_1902488 (CHEMBL4404710)	Inhibition of human PDE2A (580 to 919 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	17	ChEMBL_1902489 (CHEMBL4404711)	Inhibition of human PDE3A (679 to 1087 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	18	ChEMBL_1902492 (CHEMBL4404714)	Inhibition of human PDE8A1 (480 to 820 residues) expressed in Escherichia coli BL21 codon-plus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009328	19	ChEMBL_1902518 (CHEMBL4404740)	Inhibition of human CYP3A4
50009330	1	ChEMBL_1902567 (CHEMBL4404789)	Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 15 uM acetyl coenzyme A and N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin) as substrate incubated for 60 mins by Alpha screen technology
50009330	2	ChEMBL_1902530 (CHEMBL4404752)	Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl coenzyme A and N-terminal histone H4 peptide (sequence SGRGKGGKGLGKGGAKRHRKV-GGK-biotin) as substrate incubated for 60 mins by Alpha screen technology
50009330	3	ChEMBL_1902531 (CHEMBL4404753)	Inhibition of recombinant KAT6A (unknown origin) expressed in C57BL/6 mouse embryonic fibroblasts assessed as reduction in cell proliferation supplemented with fresh medium containing compounds every 48 hrs after for 168 hrs under low oxygen condition
50009331	1	ChEMBL_1902568 (CHEMBL4404790)	Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (1 to 42) complex formation at 200 uM at 25 degC pre-incubated with transthyretin before amyloid beta (1 to 42) addition by ITC assay (Rvb = 0.94 +/- 0.04 microM)
50009331	2	ChEMBL_1902571 (CHEMBL4404793)	Stabilization of wild type human transthyretin expressed in Escherichia coli BL21(DE3) Star assessed as dissociation constant for TTR-amyloid beta (12 to 28) complex formation at 200 uM at 25 degC pre-incubated with transthyretin before amyloid beta (12 to 28) addition by ITC assay (Rvb = 3 +/- 0.2 microM)
50009332	1	ChEMBL_1902577 (CHEMBL4404799)	Inhibition of C-terminal 6His-tagged wild type human GYS1 using UDPG as substrate in presence of 1 mM G-6-P by 14C-glucose incorporation assay
50009332	2	ChEMBL_1902586 (CHEMBL4404808)	Competitive inhibition of C-terminal 6His-tagged human GYS1 using UDPG as substrate in presence of G-6-P by 14C-glucose incorporation based Michaelis-Menton plot analysis
50009333	1	ChEMBL_1902608 (CHEMBL4404830)	Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in IFNalpha-induced STAT4 phosphorylation pre-incubated for 30 mins before IFNalpha stimulation for 30 mins AlphaLISAassay
50009333	2	ChEMBL_1902607 (CHEMBL4404829)	Inhibition of JAK2/JAK2 in human PBMC assessed as reduction in GM-CSF-induced STAT5 phosphorylation pre-incubated for 30 mins before GM-CSF stimulation for 30 mins AlphaLISAassay
50009333	3	ChEMBL_1902606 (CHEMBL4404828)	Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced STAT5 phosphorylation pre-incubated for 30 mins before IL2 stimulation for 30 mins AlphaLISAassay
50009333	4	ChEMBL_1902603 (CHEMBL4404825)	Inhibition of JAK2-JH1/JH2 domain (532 to 1132 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured after 90 mins by MS analysis
50009333	5	ChEMBL_1902604 (CHEMBL4404826)	Inhibition of JAK3-JH1/JH2 domain (512 to 1124 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured after 45 mins by MS analysis
50009333	6	ChEMBL_1902602 (CHEMBL4404824)	Inhibition of JAK1-JH1/JH2 domain (574 to 1154 residues) (unknown origin) pre-incubated before NH2-KGGEEEEYFELVKK-CO2 substrate addition and measured after 90 mins by MS analysis
50009333	7	ChEMBL_1902615 (CHEMBL4404837)	Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in IL12 -induced STAT4 phosphorylation pre-incubated for 30 mins before IL12 stimulation for 30 mins AlphaLISAassay
50009333	8	ChEMBL_1902601 (CHEMBL4404823)	Inhibition of JAK1/Tyk2-mediated STAT4 phosphorylation in IFNalpha-stimulated mouse whole blood
50009334	1	ChEMBL_1902632 (CHEMBL4404854)	Inhibition of ATX in mouse plasma after 2 hrs by LC-MS/MS analysis
50009334	2	ChEMBL_1902629 (CHEMBL4404851)	Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assay
50009334	3	ChEMBL_1902636 (CHEMBL4404858)	Inhibition of ATX (unknown origin)-mediated cell migration in human MDA-MB-231 cells assessed as reduction in cell motility after 3 hrs by Diff-Quick staining based microplate reader analysis
50009335	1	ChEMBL_1902638 (CHEMBL4404860)	Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell membrane assessed as stimulation of [35S]-GTPgammaS binding measured after 1 hr in presence of GDP by liquid scintillation spectrometry
50009335	2	ChEMBL_1902640 (CHEMBL4404862)	Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-induced cAMP production measured after 1 hr by fluorescence plate reader assay
50009335	3	ChEMBL_1902642 (CHEMBL4404864)	Positive allosteric modulation at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells cotransfected with eYFP assessed as inhibition of forskolin-induced cAMP production measured after 1 hr in presence of 1 uM propionate by fluorescence plate reader assay
50009335	4	ChEMBL_1902654 (CHEMBL4404876)	Agonist activity at rat FFA3 receptor
50009335	5	ChEMBL_1902655 (CHEMBL4404877)	Agonist activity at mouse FFA3 receptor
50009336	1	ChEMBL_1902709 (CHEMBL4404931)	Agonist activity at His-tagged PXR-LBD/SRC-1p (unknown origin) expressed in Escherichia coli BL21(DE3) by coactivator recruitment based Alpha-screen assay
50009336	2	ChEMBL_1902714 (CHEMBL4404936)	Binding affinity to His-tagged PXR-LBD (unknown origin) expressed in Escherichia coli BL21 Gold by ITC analysis
50009338	1	ChEMBL_1902812 (CHEMBL4405034)	Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based
50009338	2	ChEMBL_1902815 (CHEMBL4405037)	Inhibition of Trypanosoma brucei PDEB1 (565 to 918 residues) expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based
50009340	1	ChEMBL_1902821 (CHEMBL4405043)	Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding to N-terminal His6-tagged BRD4 bromodomain 1 (49 to 170 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by biotin-labeled H4 peptide addition and measured after 10 mins by Alphascreen assay
50009340	2	ChEMBL_1902822 (CHEMBL4405044)	Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding to N-terminal His6-tagged BRD4 bromodomain 2 (344 to 455 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by biotin-labeled H4 peptide addition and measured after 10 mins by Alphascreen assay
50009340	3	ChEMBL_1902823 (CHEMBL4405045)	Inhibition of MSGRGK(Ac)-GGK(Ac)GLGK(Ac)GGAKRHR-biotin binding to EP300 (1040 to 1160 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by Alphascreen assay
50009340	4	ChEMBL_1902850 (CHEMBL4405072)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50009340	5	ChEMBL_1902851 (CHEMBL4405073)	Binding affinity to human partial length BRD2 BD2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by bromoscan assay
50009340	6	ChEMBL_1902852 (CHEMBL4405074)	Binding affinity to human partial length BRD3 BD2 (G306 to P416 residues) expressed in bacterial expression system by bromoscan assay
50009340	7	ChEMBL_1902872 (CHEMBL4405094)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009340	8	ChEMBL_1902873 (CHEMBL4405095)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009340	9	ChEMBL_1902875 (CHEMBL4405097)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009340	10	ChEMBL_1902876 (CHEMBL4405098)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009340	11	ChEMBL_1902818 (CHEMBL4405040)	Inhibition of HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH binding to recombinant human His6-tagged BRD4 bromodomain 1 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 cells preincubated for 30 mins followed by HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH addition and measured after 30 mins by Alphascreen assay
50009340	12	ChEMBL_1902819 (CHEMBL4405041)	Inhibition of BRD4 (unknown origin)
50009340	13	ChEMBL_1902849 (CHEMBL4405071)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50009340	14	ChEMBL_1902853 (CHEMBL4405075)	Binding affinity to human partial length BRDT bromodomain 2 isoform b (K250 to E382 residues) expressed in bacterial expression system by bromoscan assay
50009340	15	ChEMBL_1902874 (CHEMBL4405096)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009340	16	ChEMBL_1902877 (CHEMBL4405099)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009341	1	ChEMBL_1902887 (CHEMBL4405109)	Inhibition of AIMP2 DX2 isoform (unknown origin) expressed in human A549 cells incubated for 4 hrs by luciferase reporter gene assay
50009341	2	ChEMBL_1902892 (CHEMBL4405114)	Binding affinity to AIMP2 DX2 isoform (unknown origin)
50009341	3	ChEMBL_1902885 (CHEMBL4405107)	Inhibition of AIMP2 DX2 isoform (unknown origin) expressed in human H460 cells incubated for 4 hrs by luciferase reporter gene assay
50009342	1	ChEMBL_1902909 (CHEMBL4405131)	Inhibition of recombinant human C-terminal His-fusion tagged HDAC5 (657 to 1123 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	2	ChEMBL_1902910 (CHEMBL4405132)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	3	ChEMBL_1902913 (CHEMBL4405135)	Inhibition of HDAC9 (unknown origin) using fluorogenic HDAC class 2a as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	4	ChEMBL_1902914 (CHEMBL4405136)	Inhibition of HDAC10 (unknown origin) using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	5	ChEMBL_1902907 (CHEMBL4405129)	Inhibition of recombinant full length human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in baculovirus infected insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	6	ChEMBL_1902912 (CHEMBL4405134)	Inhibition of recombinant C-terminal His-fusion tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in insect cells using fluorogenic peptide p53 residues 379-382 (RHK(Ac)K(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	7	ChEMBL_1902905 (CHEMBL4405127)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf21 insect cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	8	ChEMBL_1902915 (CHEMBL4405137)	Inhibition of human recombinant N-terminal Streptavidin2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class 2a as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	9	ChEMBL_1902916 (CHEMBL4405138)	Inhibition of human PI3Kalpha assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex using PIP2 as substrate measured after 30 mins in presence of ATP by HTRF assay
50009342	10	ChEMBL_1902918 (CHEMBL4405140)	Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex using PIP2 as substrate measured after 30 mins in presence of ATP by HTRF assay
50009342	11	ChEMBL_1902919 (CHEMBL4405141)	Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex using PIP2 as substrate measured after 30 mins in presence of ATP by HTRF assay
50009342	12	ChEMBL_1902917 (CHEMBL4405139)	Inhibition of human PI3Kbeta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex using PIP2 as substrate measured after 30 mins in presence of ATP by HTRF assay
50009342	13	ChEMBL_1902906 (CHEMBL4405128)	Inhibition of recombinant human GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected sf21 cells using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	14	ChEMBL_1902908 (CHEMBL4405130)	Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay
50009342	15	ChEMBL_1902911 (CHEMBL4405133)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in baculovirus infected insect cells using fluorogenic HDAC class2a as substrate measured after 1 to 2 hrs by fluorescence assay
50009343	1	ChEMBL_1903437 (CHEMBL4405659)	Inhibition of recombinant human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50009343	2	ChEMBL_1903441 (CHEMBL4405663)	Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis
50009343	3	ChEMBL_1903445 (CHEMBL4405667)	Inhibition of human liver microsome CYP3A4 using midazolam as substrate incubated for 5 to 20 mins by LC-MS/MS analysis
50009343	4	ChEMBL_1903442 (CHEMBL4405664)	Inhibition of human liver microsome CYP2C9 using diclofenac as substrate incubated for 5 to 20 mins by LC-MS/MS analysis
50009343	5	ChEMBL_1903444 (CHEMBL4405666)	Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 5 to 20 mins by LC-MS/MS analysis
50009343	6	ChEMBL_1903448 (CHEMBL4405670)	Inhibition of human NTPDase 8 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by colorimetric assay
50009343	7	ChEMBL_1903438 (CHEMBL4405660)	Inhibition of recombinant human CD73 expressed in CHO cells in 2 % DMSO using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50009343	8	ChEMBL_1903436 (CHEMBL4405658)	Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in HEK293 cells using AMP as substrate preincubated for 1 hr followed by substrate addition and measured after 30 sec by malachite green based assay
50009343	9	ChEMBL_1903443 (CHEMBL4405665)	Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 5 to 20 mins by LC-MS/MS analysis
50009343	10	ChEMBL_1903446 (CHEMBL4405668)	Inhibition of human NTPDase 2 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by colorimetric assay
50009343	11	ChEMBL_1903435 (CHEMBL4405657)	Inhibition of human CD73
50009343	12	ChEMBL_1903447 (CHEMBL4405669)	Inhibition of human NTPDase 3 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by colorimetric assay
50009343	13	ChEMBL_1903449 (CHEMBL4405671)	Inhibition of human CD39 expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by colorimetric assay
50009346	1	ChEMBL_1903451 (CHEMBL4405673)	Inhibition of recombinant human N-terminal GST-tagged NIK (318 to 947 residues) expressed in baculovirus infected Sf9 cells using ultrapure ATP as substrate measured after 1 hr by ADP-glo assay
50009346	2	ChEMBL_1903454 (CHEMBL4405676)	Binding affinity to wild-type human partial length NIK (L318 to P947 residues) expressed in mammalian expression system by Kinomescan method
50009346	3	ChEMBL_1903450 (CHEMBL4405672)	Inhibition of human NIK using ATP as substrate by kinase-glo assay
50009347	2	ChEMBL_1903484 (CHEMBL4405706)	Binding affinity to recombinant His-tagged CRM1 (unknown origin) by SPR analysis
50009347	3	ChEMBL_1903537 (CHEMBL4405759)	Inhibition of human ERG expressed in human HEK293 cells by whole cell patch clamp assay
50009347	4	ChEMBL_1903487 (CHEMBL4405709)	Inhibition of CRM1 in human HCT-15 cells assessed as reduction in cell viability incubated for 24 hrs
50009350	1	ChEMBL_1903542 (CHEMBL4405764)	Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins followed by substrate addition by spectrometric assay
50009350	2	ChEMBL_1903540 (CHEMBL4405762)	Inhibition of recombinant human 6His-tagged ALDH1A2 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins followed by substrate addition by spectrometric assay
50009350	3	ChEMBL_1903538 (CHEMBL4405760)	Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins followed by substrate addition by spectrometric assay
50009350	4	ChEMBL_1903544 (CHEMBL4405766)	Competitive inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using varying level of acetaldehyde as substrate preincubated for 5 mins followed by substrate addition by Michaelis-Menten plot analysis
50009351	1	ChEMBL_1903646 (CHEMBL4405868)	Inhibition of hexahistidine-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21(DE3) at preincubated for 10 mins with NADH before addition of 2-trans-octanoyl-CoA as substrate and measured after 20 mins by NADH oxidation detection based colorimetric assay
50009352	1	ChEMBL_1903676 (CHEMBL4405898)	Binding affinity full length human N-terminal His6-tagged LDH-H L3A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	2	ChEMBL_1903682 (CHEMBL4405904)	Binding affinity to truncated human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) after 5 mins by Red-NHS fluorescence dye-based microscale thermophoresis analysis
50009352	3	ChEMBL_1903698 (CHEMBL4405920)	Binding affinity to human N-terminal His6-tagged human LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as induction of protein disruption by interacting with tetramerization site by Red-NHS fluorescence dye based microscale thermophoresis analysis
50009352	4	ChEMBL_1903653 (CHEMBL4405875)	Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) measured after 5 mins by Red-NHS fluorescent dye based microscale thermophoresis analysis
50009352	5	ChEMBL_1903678 (CHEMBL4405900)	Binding affinity full length human N-terminal His6-tagged LDH-H E5A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	6	ChEMBL_1903679 (CHEMBL4405901)	Binding affinity full length human N-terminal His6-tagged LDH-H K6A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	7	ChEMBL_1903652 (CHEMBL4405874)	Competitive binding affinity to recombinant full length human His-tagged LDH-1 (1 to 322 residues) expressed in Escherichia coli assessed as protein-compound interaction at N-terminal domain after 5 mins by Red-NHS fluorescence dye based microscale thermophoresis analysis
50009352	8	ChEMBL_1903657 (CHEMBL4405879)	Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) in sodium phosphate buffer at pH 7.6 by WaterLOGSY NMR analysis
50009352	9	ChEMBL_1903675 (CHEMBL4405897)	Binding affinity full length human N-terminal His6-tagged LDH-H T2A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	10	ChEMBL_1903674 (CHEMBL4405896)	Binding affinity to full length human N-terminal His6-tagged LDH-H expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	11	ChEMBL_1903680 (CHEMBL4405902)	Binding affinity full length human N-terminal His6-tagged LDH-H I8A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009352	12	ChEMBL_1903685 (CHEMBL4405907)	Competitive binding affinity to human N-terminal His6-tagged LDH-5 expressed in Escherichia coli Rosetta (DE3) assessed as protein-compound interaction at N-terminal domain after 5 mins by Red-NHS fluorescence dye-based microscale thermophoresis analysis
50009352	13	ChEMBL_1903677 (CHEMBL4405899)	Binding affinity full length human N-terminal His6-tagged LDH-H K4A mutant expressed in Escherichia coli Rosetta (DE3) assessed as tetrameric disruption by nano differential scanning fluorimetry analysis
50009353	1	ChEMBL_1903707 (CHEMBL4405929)	Binding affinity to recombinant BRD4 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	2	ChEMBL_1903709 (CHEMBL4405931)	Binding affinity to recombinant BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	3	ChEMBL_1903715 (CHEMBL4405937)	Binding affinity to recombinant CBP (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	4	ChEMBL_1903706 (CHEMBL4405928)	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible IL-6 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis
50009353	5	ChEMBL_1903711 (CHEMBL4405933)	Binding affinity to recombinant BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	6	ChEMBL_1903712 (CHEMBL4405934)	Binding affinity to recombinant BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	7	ChEMBL_1903714 (CHEMBL4405936)	Binding affinity to recombinant BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	8	ChEMBL_1903737 (CHEMBL4405959)	Inhibition of human ERG
50009353	9	ChEMBL_1903705 (CHEMBL4405927)	Inhibition of BRD4 in poly(I:C)-stimulated human SAECs TLR3-inducible CIG5 gene expression pre-incubated for 24 hrs before poly(I:C) stimulation for 4 hrs by qRT-PCR analysis
50009353	10	ChEMBL_1903708 (CHEMBL4405930)	Binding affinity to recombinant BRD4 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	11	ChEMBL_1903710 (CHEMBL4405932)	Binding affinity to recombinant BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50009353	12	ChEMBL_1903713 (CHEMBL4405935)	Binding affinity to recombinant BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50009355	1	ChEMBL_1903801 (CHEMBL4406023)	Displacement of [3H]R-PIA from recombinant human A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting method
50009355	2	ChEMBL_1903806 (CHEMBL4406028)	Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting method
50009355	3	ChEMBL_1903807 (CHEMBL4406029)	Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting method
50009355	4	ChEMBL_1903817 (CHEMBL4406039)	Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) measured after 90 mins by microbeta counting analysis
50009355	5	ChEMBL_1903803 (CHEMBL4406025)	Displacement of [3H]R-PIA from recombinant mouse A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting method
50009355	6	ChEMBL_1903804 (CHEMBL4406026)	Displacement of [3H]CGS21680 from recombinant human A2AAR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting method
50009355	7	ChEMBL_1903811 (CHEMBL4406033)	Partial agonist activity at recombinant mouse A3AR expressed in HEK293 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 2 hrs in presence of A2BAR blocker PSB-603 by liquid scintillation counting analysis
50009355	8	ChEMBL_1903814 (CHEMBL4406036)	Partial agonist activity at recombinant human A3AR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation measured after 30 mins in presence of A2BAR blocker PSB-603 by Glo-sensor assay
50009355	9	ChEMBL_1903816 (CHEMBL4406038)	Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) measured after 90 mins by microbeta counting analysis
50009355	10	ChEMBL_1903818 (CHEMBL4406040)	Inhibition of TSPO (unknown origin)
50009355	11	ChEMBL_1903825 (CHEMBL4406047)	Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrate
50009355	12	ChEMBL_1903826 (CHEMBL4406048)	Inhibition of CYP2C19 (unknown origin)
50009355	13	ChEMBL_1903827 (CHEMBL4406049)	Inhibition of CYP2D6 (unknown origin) using dextromethorphan as substrate
50009355	14	ChEMBL_1903828 (CHEMBL4406050)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50009355	15	ChEMBL_1903824 (CHEMBL4406046)	Inhibition of CYP1A2 (unknown origin)
50009356	1	ChEMBL_1903840 (CHEMBL4406062)	Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50009356	2	ChEMBL_1903841 (CHEMBL4406063)	Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009356	3	ChEMBL_1903842 (CHEMBL4406064)	Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009356	4	ChEMBL_1903843 (CHEMBL4406065)	Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009356	5	ChEMBL_1903839 (CHEMBL4406061)	Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cell membranes measured after 90 mins by microbeta scintillation counting method
50009356	6	ChEMBL_1903838 (CHEMBL4406060)	Displacement of [3H]-SCH23390 from recombinant human D1 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009356	7	ChEMBL_1903849 (CHEMBL4406071)	Agonist activity at human Gi/o-coupled D3 receptor expressed in HEK293T cells assessed as inhibition of isoproterenol-induced cAMP accumulation preincubated for 15 mins followed by isoproterenol addition by Glosensor-based luminescence assay
50009356	8	ChEMBL_1903856 (CHEMBL4406078)	Agonist activity at human 5HT2C receptor stably expressed in HEK293 cells co-expressing Gq assessed as induction of calcium mobilization measured at 1 sec interval for 60 secs by Fluo-4 calcium dye based FLIPR assay
50009356	9	ChEMBL_1903851 (CHEMBL4406073)	Antagonist activity at human Gi/o-coupled D3 receptor expressed in HEK293T cells assessed as suppression of dopamine-induced inhibition of isoproterenol-stimulated cAMP accumulation preincubated for 10 mins followed by dopamine stimulation and measured after 20 mins by Glosensor-based luminescence assay
50009356	10	ChEMBL_1903852 (CHEMBL4406074)	Agonist activity at D3 receptor (unknown origin) expressed in human HTLA cells assessed as induction of beta-arrestin2 recruitment measured after 16 hrs by Bright-glo reagent based Tango luminescence assay
50009356	11	ChEMBL_1903855 (CHEMBL4406077)	Antagonist activity at human 5HT2C receptor stably expressed in HEK293 cells co-expressing Gq assessed as inhibition of 5-HT-induced calcium mobilization preincubated for 15 mins followed by 5-HT addition and measured at 1 sec interval for 60 secs by Fluo-4 calcium dye based FLIPR assay
50009357	1	ChEMBL_1903882 (CHEMBL4406104)	Agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4 dye based assay
50009357	2	ChEMBL_1903898 (CHEMBL4406120)	Specific binding of [3H]-Ins(1,4,5)P3 to IP3R1 in Wistar rat cerebellar membrane at 30 uM measured after 5 mins by liquid scintillation counting method
50009357	3	ChEMBL_1903887 (CHEMBL4406109)	Displacement of [3H]-IP3 from IP3R1 in Wistar rat cerebellar membrane measured after 5 mins by liquid scintillation counting method
50009357	4	ChEMBL_1903883 (CHEMBL4406105)	Partial agonist activity at rat IP3R1 expressed in HEK cells assessed as increase in calcium release in cytosol by measuring fluorescence signal by Mag-Fluo4 dye based assay
50009359	1	ChEMBL_1903906 (CHEMBL4406128)	Binding affinity to CDC20 (unknown origin) by SPR analysis
50009360	1	ChEMBL_1904020 (CHEMBL4406242)	Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH peptide as substrate after 10 mins in presence of 5 mM ATP by caliper mobility shift assay
50009360	2	ChEMBL_1904027 (CHEMBL4406249)	Inhibition of human ERG
50009360	3	ChEMBL_1904021 (CHEMBL4406243)	Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 peptide as substrate after 10 mins in presence of 5 mM ATP by caliper mobility shift assay
50009360	4	ChEMBL_1904028 (CHEMBL4406250)	Inhibition of JAK3 (unknown origin)
50009360	5	ChEMBL_1904026 (CHEMBL4406248)	Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA
50009360	6	ChEMBL_1904030 (CHEMBL4406252)	Inhibition of TYK2 (unknown origin)
50009360	7	ChEMBL_1904059 (CHEMBL4406281)	Inhibition of human Cytochrome P450
50009361	1	ChEMBL_1904087 (CHEMBL4406309)	Binding affinity to recombinant N-terminal GST/His-tagged SPOP (unknown origin) MATH binding domain expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50009362	1	ChEMBL_1904111 (CHEMBL4406333)	Inhibition of GST-tagged recombinant PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of DPPS and PI5P by ADP-Glo assay
50009362	2	ChEMBL_1904127 (CHEMBL4406349)	Binding affinity to human PI5P4IKgamma
50009362	3	ChEMBL_1904112 (CHEMBL4406334)	Inhibition of GST-tagged recombinant PI5P4Kbeta (unknown origin) incubated for 1 hr in presence of DPPS and PI5P by ADP-Glo assay
50009364	1	ChEMBL_1904131 (CHEMBL4406353)	Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in SEAP level after overnight incubation using qunati-blue reagent by SEAP reporter gene-based spectrophotometric method
50009364	2	ChEMBL_1904129 (CHEMBL4406351)	Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as induction of NFkappaB activation by measuring increase in SEAP level after overnight incubation using qunati-blue reagent by SEAP reporter gene-based spectrophotometric method
50009366	1	ChEMBL_1904197 (CHEMBL4406419)	Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by P450-glo luciferase based luminescence assay
50009366	2	ChEMBL_1904196 (CHEMBL4406418)	Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	3	ChEMBL_1904211 (CHEMBL4406433)	Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	4	ChEMBL_1904191 (CHEMBL4406413)	Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate after 10 mins by UPLC-MS/MS analysis
50009366	5	ChEMBL_1904187 (CHEMBL4406409)	Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	6	ChEMBL_1904193 (CHEMBL4406415)	Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate after 10 mins by UPLC-MS/MS analysis
50009366	7	ChEMBL_1904192 (CHEMBL4406414)	Inhibition of CYP2C8 in human pooled liver microsomes using amodiaquine as substrate after 10 mins by UPLC-MS/MS analysis
50009366	8	ChEMBL_1904188 (CHEMBL4406410)	Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate after 10 mins by UPLC-MS/MS analysis
50009366	9	ChEMBL_1904195 (CHEMBL4406417)	Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate after 10 mins by UPLC-MS/MS analysis
50009366	10	ChEMBL_1904194 (CHEMBL4406416)	Inhibition of CYP2B6 in human pooled liver microsomes using bupropion as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	11	ChEMBL_1904185 (CHEMBL4406407)	Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	12	ChEMBL_1904236 (CHEMBL4406458)	Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	13	ChEMBL_1904205 (CHEMBL4406427)	Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	14	ChEMBL_1904207 (CHEMBL4406429)	Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	15	ChEMBL_1904208 (CHEMBL4406430)	Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	16	ChEMBL_1904209 (CHEMBL4406431)	Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	17	ChEMBL_1904210 (CHEMBL4406432)	Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate after 10 mins in presence of NADPH by P450-glo luciferase based luminescence assay
50009366	18	ChEMBL_1904213 (CHEMBL4406435)	Inhibition of recombinant human CYP4F2 expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	19	ChEMBL_1904214 (CHEMBL4406436)	Inhibition of recombinant human CYP4F3A expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	20	ChEMBL_1904216 (CHEMBL4406438)	Inhibition of recombinant human CYP4F12 expressed in baculovirus infected insect cells using Luc-BE as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	21	ChEMBL_1904217 (CHEMBL4406439)	Inhibition of CYP4F8 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using Luc-BE as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	22	ChEMBL_1904190 (CHEMBL4406412)	Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate after 10 mins by UPLC-MS/MS analysis
50009366	23	ChEMBL_1904237 (CHEMBL4406459)	Inhibition of CYP3A4/5 in human pooled liver microsomes using midazolam as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	24	ChEMBL_1904212 (CHEMBL4406434)	Inhibition of recombinant human CYP4A11 expressed in baculovirus infected insect cells using Luc-4A as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	25	ChEMBL_1904215 (CHEMBL4406437)	Inhibition of recombinant human CYP4F3B expressed in baculovirus infected insect cells using Luc-4F2/3 as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by P450-glo luciferase based luminescence assay
50009366	26	ChEMBL_1904189 (CHEMBL4406411)	Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate after 10 mins by UPLC-MS/MS analysis
50009366	27	ChEMBL_1904235 (CHEMBL4406457)	Inhibition of CYP2C19 in human pooled liver microsomes using (S)-mephenytoin as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	28	ChEMBL_1904186 (CHEMBL4406408)	Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate preincubated with NADPH for 30 mins followed by substrate addition and measured after 10 mins by UPLC-MS/MS analysis
50009366	29	ChEMBL_1904259 (CHEMBL4406481)	Inhibition of CYP4Z1 (unknown origin) in human HepG2 cell membranes transduced with lentiviral vector using luciferin-benzyl ether as substrate preincubated for 5 mins with NADPH followed by substrate addition and measured after 10 mins by LC-MS/M S analysis
50009366	30	ChEMBL_1904262 (CHEMBL4406484)	Inhibition of human placental microsome aromatase using [3H]androstenedione as substrate preincubated for 32 mins in presence of NADPH followed by substrate addition and measured after 10 mins
50009367	1	ChEMBL_1904298 (CHEMBL4406520)	Inhibition of human NEP using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis
50009367	2	ChEMBL_1904299 (CHEMBL4406521)	Inhibition of human ACE using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis
50009367	3	ChEMBL_1904291 (CHEMBL4406513)	Inhibition of human somatic ACE N-domain soluble form (1 to 629 residues) expressed in CHO cells using Z-FHL as substrate preincubated with enzyme followed by substrate addition by fluorescence based assay
50009367	4	ChEMBL_1904289 (CHEMBL4406511)	Inhibition of rat kidney NEP using dansyl-Gly-Phe-Arg as substrate by fluorometric assay
50009367	5	ChEMBL_1904292 (CHEMBL4406514)	Inhibition of human testis ACE C-domain lacking unique O-glycosylated region, transmembrane anchor and cytoplasmic tail expressed in CHO cells using Z-FHL as substrate by fluorescence based assay
50009367	6	ChEMBL_1904295 (CHEMBL4406517)	Inhibition of rat kidney NEP using glutaryl-Ala-Ala-beta-naphthylamide as substrate preincubated with enzyme for 15 mins followed by substrate addition
50009367	7	ChEMBL_1904290 (CHEMBL4406512)	Inhibition of NEP (unknown origin)
50009368	1	ChEMBL_1904302 (CHEMBL4406524)	Agonist activity at human D3R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50009368	2	ChEMBL_1904371 (CHEMBL4406593)	Agonist activity at RLuc8-fused human D3R Y365A mutant expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assessed as induction of beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50009368	3	ChEMBL_1904305 (CHEMBL4406527)	Antagonist activity at human D2R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 mins by beta-galactosidase based PathHunter assay
50009368	4	ChEMBL_1904308 (CHEMBL4406530)	Displacement of [3H]-methylspiperon from human D2RL expressed in HEK293 cell membranes measured after 90 mins by topcount assay
50009368	5	ChEMBL_1904304 (CHEMBL4406526)	Agonist activity at human D2R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50009368	6	ChEMBL_1904421 (CHEMBL4406643)	Displacement of [3H]-pentazocine from sigma1 receptor (unknown origin) after 90 mins by microbeta scintillation counting method
50009368	7	ChEMBL_1904379 (CHEMBL4406601)	Displacement of [3H]5-CT from recombinant human 5HT1B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	8	ChEMBL_1904320 (CHEMBL4406542)	Agonist activity at RLuc8-fused Go-coupled human D3R expressed in HEK293 cells untagged beta1 and mVenus-tagged gamma2 measured after 5 mins in presence of coelenterazine H by BRET assay
50009368	9	ChEMBL_1904325 (CHEMBL4406547)	Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay
50009368	10	ChEMBL_1904340 (CHEMBL4406562)	Agonist activity at recombinant human 5-HT2B receptor expressed in CHOK1 cells assessed as increase in inositol1-phosphate accumulation measured after 30 mins by HTRF assay
50009368	11	ChEMBL_1904318 (CHEMBL4406540)	Agonist activity at RLuc8-fused human D3R expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assessed as induction of beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50009368	12	ChEMBL_1904385 (CHEMBL4406607)	Displacement of [3H]GR65630 from recombinant human 5HT3 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	13	ChEMBL_1904388 (CHEMBL4406610)	Displacement of [3H]-LSD from recombinant human 5HT7A receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	14	ChEMBL_1904418 (CHEMBL4406640)	Displacement of [3H]-Nisoxetine from human NET receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method
50009368	15	ChEMBL_1904401 (CHEMBL4406623)	Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50009368	16	ChEMBL_1904416 (CHEMBL4406638)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M5 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation counting method
50009368	17	ChEMBL_1904392 (CHEMBL4406614)	Displacement of [3H]-rauwolscine from recombinant human alpha2A adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	18	ChEMBL_1904396 (CHEMBL4406618)	Displacement of [125I]-pindolol from recombinant human beta1 adrenergic receptor expressed in CHO Flp-In cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	19	ChEMBL_1904315 (CHEMBL4406537)	Antagonist activity at Gs-coupled human D1R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 mins by beta-galactosidase based PathHunter assay
50009368	20	ChEMBL_1904317 (CHEMBL4406539)	Antagonist activity at Gi/Go-coupled human D4R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 mins by beta-galactosidase based PathHunter assay
50009368	21	ChEMBL_1904422 (CHEMBL4406644)	Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) measured after 90 mins by microbeta counting analysis
50009368	22	ChEMBL_1904321 (CHEMBL4406543)	Agonist activity at human D3R expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production measured after 5 mins in presence of beta-adrenergic blocker propranolol and coelenterazine H by CAMYEL BRET assay
50009368	23	ChEMBL_1904322 (CHEMBL4406544)	Agonist activity at human D3R stably expressed in CHOK1 cells assessed as increase in ERK1/2 phosphorylation measured after 15 mins by AlphaScreen surefire assay
50009368	24	ChEMBL_1904323 (CHEMBL4406545)	Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay
50009368	25	ChEMBL_1904324 (CHEMBL4406546)	Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount assay
50009368	26	ChEMBL_1904326 (CHEMBL4406548)	Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay
50009368	27	ChEMBL_1904327 (CHEMBL4406549)	Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount assay
50009368	28	ChEMBL_1904328 (CHEMBL4406550)	Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing MgCl2 by topcount assay
50009368	29	ChEMBL_1904341 (CHEMBL4406563)	Antagonist activity at recombinant human 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced increase in inositol1-phosphate accumulation measured after 30 mins by HTRF assay
50009368	30	ChEMBL_1904369 (CHEMBL4406591)	Agonist activity at RLuc8-fused human D3R Y198A mutant expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assessed as induction of beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50009368	31	ChEMBL_1904378 (CHEMBL4406600)	Displacement of [3H]-Way100635 from recombinant human 5HT1A receptor stably expressed in CHO cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	32	ChEMBL_1904380 (CHEMBL4406602)	Displacement of [3H]5-CT from recombinant human 5HT1D receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	33	ChEMBL_1904382 (CHEMBL4406604)	Displacement of [3H]-Ketanserin from 5HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method
50009368	34	ChEMBL_1904384 (CHEMBL4406606)	Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	35	ChEMBL_1904386 (CHEMBL4406608)	Displacement of [3H]-LSD from recombinant human 5HT5A receptor stably expressed in Flp-In CHO cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	36	ChEMBL_1904387 (CHEMBL4406609)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	37	ChEMBL_1904391 (CHEMBL4406613)	Displacement of [3H]-prazosin from recombinant human alpha1D adrenergic receptor measured after 90 mins by microbeta scintillation counting method
50009368	38	ChEMBL_1904397 (CHEMBL4406619)	Displacement of [3H]-CGP12177 from recombinant human beta2 adrenergic receptor expressed in HEK Flp-In cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	39	ChEMBL_1904394 (CHEMBL4406616)	Displacement of [3H]-CGP12177 from recombinant human beta3 adrenergic receptor expressed in HEK Flp-In cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	40	ChEMBL_1904399 (CHEMBL4406621)	Displacement of [3H]-SCH23390 from recombinant human D1 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	41	ChEMBL_1904402 (CHEMBL4406624)	Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	42	ChEMBL_1904403 (CHEMBL4406625)	Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	43	ChEMBL_1904408 (CHEMBL4406630)	Displacement of [125I]-Iodo-aminopotentidine from human histamine H2 receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method
50009368	44	ChEMBL_1904409 (CHEMBL4406631)	Displacement of [3H]-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK Flp-In cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	45	ChEMBL_1904412 (CHEMBL4406634)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M1 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation counting method
50009368	46	ChEMBL_1904413 (CHEMBL4406635)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M2 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation counting method
50009368	47	ChEMBL_1904415 (CHEMBL4406637)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M4 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation counting method
50009368	48	ChEMBL_1904307 (CHEMBL4406529)	Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay
50009368	49	ChEMBL_1904316 (CHEMBL4406538)	Antagonist activity at Gs-coupled human D5R expressed in CHOK1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment measured after 120 mins by beta-galactosidase based PathHunter assay
50009368	50	ChEMBL_1904373 (CHEMBL4406595)	Agonist activity at RLuc8-fused human D3R Y198A/Y365A double mutant expressed in HEK293 cells co-expressing N-terminal Venus-tagged beta-arrestin2 and GRK3 assessed as induction of beta-arrestin2 recruitment measured after 5 mins in presence of coelenterazine H by BRET assay
50009368	51	ChEMBL_1904381 (CHEMBL4406603)	Displacement of [3H]5-HT from recombinant human 5HT1E receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	52	ChEMBL_1904389 (CHEMBL4406611)	Displacement of [3H]-prazosin from recombinant human alpha1A adrenergic receptor measured after 90 mins by microbeta scintillation counting method
50009368	53	ChEMBL_1904395 (CHEMBL4406617)	Displacement of [3H]-rauwolscine from recombinant human alpha2C adrenergic receptor stably expressed in MDCK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	54	ChEMBL_1904400 (CHEMBL4406622)	Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	55	ChEMBL_1904405 (CHEMBL4406627)	Displacement of [3H]-DADLE from recombinant human DOR stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	56	ChEMBL_1904411 (CHEMBL4406633)	Displacement of [3H]-U69593 from KOR (unknown origin) measured after 90 mins by microbeta scintillation counting method
50009368	57	ChEMBL_1904414 (CHEMBL4406636)	Displacement of [3H]-QNB/[3H]-NMS from human muscarinic M3 receptor expressed in stable CHO cell membranes after 90 mins by microbeta scintillation counting method
50009368	58	ChEMBL_1904417 (CHEMBL4406639)	Displacement of [3H]-DAMGO from recombinant human MOR stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	59	ChEMBL_1904390 (CHEMBL4406612)	Displacement of [3H]-prazosin from recombinant human alpha1B adrenergic receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	60	ChEMBL_1904393 (CHEMBL4406615)	Displacement of [3H]-rauwolscine from recombinant human alpha2B adrenergic receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	61	ChEMBL_1904407 (CHEMBL4406629)	Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method
50009368	62	ChEMBL_1904410 (CHEMBL4406632)	Displacement of [3H]-Histamine from recombinant human histamine H4 receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	63	ChEMBL_1904420 (CHEMBL4406642)	Displacement of [3H]-citalopram from human SERT receptor expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method
50009368	64	ChEMBL_1904383 (CHEMBL4406605)	Displacement of [3H]-LSD from recombinant human 5HT2B receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta scintillation counting method
50009368	65	ChEMBL_1904404 (CHEMBL4406626)	Displacement of [3H]-Win35428 from human DAT expressed in stable HEK cell membranes after 90 mins by microbeta scintillation counting method
50009370	1	ChEMBL_1904470 (CHEMBL4406692)	Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells
50009370	2	ChEMBL_1904476 (CHEMBL4406698)	Inhibition of human ERG expressed in CHOK1/ HEK293 cells at -80 mV holding potential by IonWorks patch-clamp assay
50009371	1	ChEMBL_1904492 (CHEMBL4406714)	Inhibition of HIV-1 protease
50009372	1	ChEMBL_1904504 (CHEMBL4406726)	Inhibition of human recombinant carbonic anhydrase 5A preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	2	ChEMBL_1904505 (CHEMBL4406727)	Inhibition of human recombinant carbonic anhydrase 5B preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	3	ChEMBL_1904506 (CHEMBL4406728)	Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	4	ChEMBL_1904507 (CHEMBL4406729)	Inhibition of human recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	5	ChEMBL_1904508 (CHEMBL4406730)	Inhibition of human recombinant carbonic anhydrase 12 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	6	ChEMBL_1904503 (CHEMBL4406725)	Inhibition of human recombinant carbonic anhydrase 4 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	7	ChEMBL_1904502 (CHEMBL4406724)	Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009372	8	ChEMBL_1904501 (CHEMBL4406723)	Inhibition of human recombinant carbonic anhydrase 1 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydration assay
50009373	1	ChEMBL_1904524 (CHEMBL4406746)	Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by (sCy5)-[Lys2 Arg4]-BVD15 addition and measured after 30 mins by fluorescence based assay
50009373	2	ChEMBL_1904521 (CHEMBL4406743)	Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by (sCy5)-[Lys2 Arg4]-BVD15 addition and measured after 30 mins by fluorescence based assay
50009373	3	ChEMBL_1904522 (CHEMBL4406744)	Agonist activity at Y4R in human HEK293T cells assessed as increase in beta-arrestin recruitment incubated for 30 mins by Hoechst 33342 dye based fluorescence analysis
50009376	1	ChEMBL_1904536 (CHEMBL4406758)	Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50009376	2	ChEMBL_1904537 (CHEMBL4406759)	Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter measured after 24 hrs by dual luciferase reporter assay
50009376	3	ChEMBL_1904530 (CHEMBL4406752)	Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay
50009376	4	ChEMBL_1904529 (CHEMBL4406751)	Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay
50009376	5	ChEMBL_1904561 (CHEMBL4406783)	Inhibition of CYP2D6 in human liver microsomes using dextromethorrphan as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	6	ChEMBL_1904563 (CHEMBL4406785)	Inhibition of ALK2 G328V mutant (unknown origin)
50009376	7	ChEMBL_1904558 (CHEMBL4406780)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	8	ChEMBL_1904565 (CHEMBL4406787)	Inhibition of ALK2 R258G mutant (unknown origin)
50009376	9	ChEMBL_1904533 (CHEMBL4406755)	Inhibition of human N-terminal His-tagged TEV protease site linked ALK2 Q207D mutant (201 to 499 residues) expressed in baculovirus infected Sf9 insect cells
50009376	10	ChEMBL_1904534 (CHEMBL4406756)	Inhibition of ALK5 (unknown origin) transfected in human HEK293T cells cotransfected with CAGA reporter encoding luciferase by luciferase reporter gene assay
50009376	11	ChEMBL_1904547 (CHEMBL4406769)	Inhibition of human ERG expressed in HEK293 cells measured after 5 mins by whole cell patch clamp method
50009376	12	ChEMBL_1904556 (CHEMBL4406778)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	13	ChEMBL_1904557 (CHEMBL4406779)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	14	ChEMBL_1904559 (CHEMBL4406781)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	15	ChEMBL_1904560 (CHEMBL4406782)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	16	ChEMBL_1904562 (CHEMBL4406784)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysis
50009376	17	ChEMBL_1904564 (CHEMBL4406786)	Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assay
50009376	18	ChEMBL_1904528 (CHEMBL4406750)	Inhibition of human ALK5 using dephosphorylated casein as substrate measured after 45 mins in presence of [gamma33P]ATP by scintillation counting method
50009376	19	ChEMBL_1904527 (CHEMBL4406749)	Inhibition of human ALK2 using dephosphorylated casein as substrate measured after 45 mins in presence of [gamma33P]ATP by scintillation counting method
50009377	1	ChEMBL_1904571 (CHEMBL4406929)	Inhibition of human ERG by high throughput automated patch clamp method
50009377	2	ChEMBL_1904569 (CHEMBL4406927)	Antagonist activity at human M3 receptor
50009377	3	ChEMBL_1904570 (CHEMBL4406928)	Agonist activity at human beta2 adrenoceptor
50009377	4	ChEMBL_1904575 (CHEMBL4406933)	Inhibition of MMP12 (unknown origin)
50009377	5	ChEMBL_1904580 (CHEMBL4406938)	Inhibition of beta2 adrenoceptor (unknown origin)
50009377	6	ChEMBL_1904568 (CHEMBL4406926)	Inhibition of M2 receptor (unknown origin)
50009377	7	ChEMBL_1904574 (CHEMBL4406932)	Inhibition of human Neutrophil elastase
50009377	8	ChEMBL_1904579 (CHEMBL4406937)	Inhibition of PDE4B2 (unknown origin)
50009378	1	ChEMBL_1904592 (CHEMBL4406950)	Inhibition of p38gamma (unknown origin) using biotinylated maltose peptide as substrate after 60 mins
50009378	2	ChEMBL_1904593 (CHEMBL4406951)	Inhibition of p38delta (unknown origin) using biotinylated maltose peptide as substrate after 60 mins
50009378	3	ChEMBL_1904594 (CHEMBL4406952)	Inhibition of SIRT6 (unknown origin)
50009378	4	ChEMBL_1904600 (CHEMBL4406958)	Inhibition of cathepsin K (unknown origin)
50009378	5	ChEMBL_1904595 (CHEMBL4406953)	Binding affinity to STAT3 CCD (unknown origin)
50009378	6	ChEMBL_1904590 (CHEMBL4406948)	Inhibition of p38alpha (unknown origin) using biotinylated maltose peptide as substrate after 60 mins
50009378	7	ChEMBL_1904591 (CHEMBL4406949)	Inhibition of p38beta (unknown origin) using biotinylated maltose peptide as substrate after 60 mins
50009378	8	ChEMBL_1904599 (CHEMBL4406957)	Binding affinity to GPX4 (unknown origin)
50009379	1	ChEMBL_1904602 (CHEMBL4406960)	Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system after 1 hr by quantitative PCR based KINOMEscan assay
50009379	2	ChEMBL_1904603 (CHEMBL4406961)	Binding affinity to wild-type human partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system after 1 hr by quantitative PCR based KINOMEscan assay
50009382	1	ChEMBL_1904671 (CHEMBL4407029)	Inhibition of CDK2 (unknown origin)
50009382	2	ChEMBL_1904670 (CHEMBL4407028)	Inhibition of CDK4 (unknown origin)
50009383	1	ChEMBL_1904720 (CHEMBL4407078)	Inhibition of Tip60 (unknown origin) using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis
50009383	2	ChEMBL_1904702 (CHEMBL4407060)	Inhibition of KAT6B (unknown origin)
50009383	3	ChEMBL_1904682 (CHEMBL4407040)	Inhibition of P300 (unknown origin)
50009383	4	ChEMBL_1904685 (CHEMBL4407043)	Inhibition of p300 (unknown origin)/CBP (unknown origin)
50009383	5	ChEMBL_1904694 (CHEMBL4407052)	Displacement of [3H]-acetyl-CoA from P300 (unknown origin) using peptide as substrate after 60 mins
50009383	6	ChEMBL_1904716 (CHEMBL4407074)	Inhibition of CBP (unknown origin)
50009383	7	ChEMBL_1904717 (CHEMBL4407075)	Inhibition of Tip60 (unknown origin)
50009383	8	ChEMBL_1904719 (CHEMBL4407077)	Inhibition of PCAF in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis
50009383	9	ChEMBL_1904729 (CHEMBL4407087)	Inhibition of P300 BHC domain (unknown origin)
50009383	10	ChEMBL_1904730 (CHEMBL4407088)	Inhibition of CBP BHC domain (unknown origin)
50009383	11	ChEMBL_1904732 (CHEMBL4407090)	Noncompetitive inhibition of P300 (1287 to 1652 residues) VMA intein chitin binding domain (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 cells using H4-15 as substrate
50009383	12	ChEMBL_1904734 (CHEMBL4407092)	Inhibition of KAT7 (unknown origin)
50009383	13	ChEMBL_1904735 (CHEMBL4407093)	Inhibition of KAT5 (unknown origin)
50009383	14	ChEMBL_1904683 (CHEMBL4407041)	Inhibition of PCAF (unknown origin)
50009383	15	ChEMBL_1904684 (CHEMBL4407042)	Inhibition of human P300 (1284 to1673 residues) catalytic domain expressed in Escherichia coli by SPR analysis
50009383	16	ChEMBL_1904693 (CHEMBL4407051)	Displacement of [3H]-acetyl-CoA from recombinant GST-tagged P300 (unknown origin) after 30 mins by scintillation counting analysis
50009383	17	ChEMBL_1904695 (CHEMBL4407053)	Displacement of [3H]-acetyl-CoA from P300 in human HeLa cells using peptide as substrate after 3 hrs
50009383	18	ChEMBL_1904696 (CHEMBL4407054)	Displacement of [3H]-acetyl-CoA from recombinant P300 (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition measured after 10 mins
50009383	19	ChEMBL_1904698 (CHEMBL4407056)	Displacement of [3H]-acetyl-CoA from recombinant GST-tagged P300 (unknown origin) by scintillation counting analysis
50009383	20	ChEMBL_1904699 (CHEMBL4407057)	Displacement of [3H]-acetyl-CoA from recombinant Tip60 (unknown origin) by scintillation counting analysis
50009383	21	ChEMBL_1904700 (CHEMBL4407058)	Inhibition of P300 (unknown origin) (1287 to 1652 residues) expressed in Escherichia coli BL21(RIL)-DE3 cells using [12C]-acetyl-CoA/[14C]-acetyl-CoA as substrate after 10 mins
50009383	22	ChEMBL_1904687 (CHEMBL4407045)	Inhibition of P300 (unknown origin) using histone H3 as substrate by fluorescence assay
50009383	23	ChEMBL_1904689 (CHEMBL4407047)	Inhibition of P300 (unknown origin) assessed as reduction in p53 acetylation
50009383	24	ChEMBL_1904697 (CHEMBL4407055)	Displacement of [3H]-acetyl-CoA from recombinant PCAF (unknown origin) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition measured after 10 mins
50009383	25	ChEMBL_1904701 (CHEMBL4407059)	Inhibition of KAT6A (unknown origin)
50009383	26	ChEMBL_1904724 (CHEMBL4407082)	Inhibition of recombinant GST-tagged PCAF (32 residues) (unknown origin) expressed in Escherichia coli using radiolabelled acetyl-CoA as substrate after 20 mins by TopCount scintillation counting analysis
50009383	27	ChEMBL_1904718 (CHEMBL4407076)	Inhibition of P300 in human HeLa cells using [3H]-acetyl-CoA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by liquid scintillation counting analysis
50009385	1	ChEMBL_1904767 (CHEMBL4407125)	Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C) as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins MS-based analysis
50009385	2	ChEMBL_1904759 (CHEMBL4407117)	Inhibition of ATG4B (unknown origin) using FRET-GABARAPL2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50009385	3	ChEMBL_1904756 (CHEMBL4407114)	Inhibition of ATG4B (unknown origin) using ProLC3B as substrate by LC/MS analysis
50009385	4	ChEMBL_1904761 (CHEMBL4407119)	Inhibition of ATG4B (unknown origin) using N-(His)6-LC3B(L123C)Biotin as substrate preincubated for 30 mins and measured after 1 hr by AlphaScreen method
50009385	5	ChEMBL_1904754 (CHEMBL4407112)	Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) using LC3-PLA2 as substrate by fluoroscence based assay
50009385	6	ChEMBL_1904757 (CHEMBL4407115)	Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50009385	7	ChEMBL_1904758 (CHEMBL4407116)	Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate preincubated for 30 mins followed by substrate addition and measured every 15 mins for 2 hrs by fluorimetric based assay
50009385	8	ChEMBL_1904755 (CHEMBL4407113)	Inhibition of ATG4B (unknown origin) using GST-labelled LC3B as substrate after 24 hrs followed by substrate addition and measured after 3 mins by coomassie blue staining-based SDS-PAGE analysis
50009391	1	ChEMBL_1904768 (CHEMBL4407126)	Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin addition and measured every 50 secs for up to 15 mins starting from 10 secs post gamma-thrombin addition in presence of recombinant hirudin
50009391	2	ChEMBL_1904769 (CHEMBL4407127)	Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization preincubated for 30 mins followed by AYPGKF addition and measured by calcium indicator-based FLIPR assay
50009391	3	ChEMBL_1904774 (CHEMBL4407132)	Antagonist activity at PAR4 in human platelet rich plasma assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin addition and measured in presence of recombinant hirudin
50009391	4	ChEMBL_1904786 (CHEMBL4407144)	Inhibition of CYP450 in human liver microsomes
50009391	5	ChEMBL_1904794 (CHEMBL4407152)	Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of SFFLRR-induced platelet aggregation preincubated for 5 mins followed by SFFLRR addition
50009391	6	ChEMBL_1904795 (CHEMBL4407153)	Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP addition
50009391	7	ChEMBL_1904797 (CHEMBL4407155)	Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of U46619-induced platelet aggregation preincubated for 5 mins followed by U46619 addition
50009391	8	ChEMBL_1904787 (CHEMBL4407145)	Activation of human PXR
50009391	9	ChEMBL_1904779 (CHEMBL4407137)	Displacement of [3H]BMS-986120 from His-tagged human PAR4 expressed in HEK293 cell membranes measured after 2 hrs
50009391	10	ChEMBL_1904780 (CHEMBL4407138)	Displacement of [3H]BMS-986120 from His-tagged human PAR4 expressed in HEK293 cell membranes
50009391	11	ChEMBL_1904796 (CHEMBL4407154)	Antagonist activity at PAR1 in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition
50009392	1	ChEMBL_1904809 (CHEMBL4407167)	Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) cells using H-Leu-NHMec as substrate preincubated for 10 mins followed by substrate addition and measured for 1 hr by spectrofluorimetric method
50009392	2	ChEMBL_1904814 (CHEMBL4407172)	Inhibition of MMP9 (unknown origin) using QF-24 as substrate preincubated for 1 hr followed by substrate addition and measured at 1 min interval for 1 hr by fluorescence assay
50009392	3	ChEMBL_1904813 (CHEMBL4407171)	Inhibition of MMP2 (unknown origin) using QF-24 as substrate preincubated for 1 hr followed by substrate addition and measured at 1 min interval for 1 hr by fluorescence assay
50009393	1	ChEMBL_1904852 (CHEMBL4407210)	Inhibition of recombinant ovine COX2 using arachidonic acid as substrate preincubated for 15 mins followed by arachidonic acid addition measured after 2 mins by ELISA
50009393	2	ChEMBL_1904837 (CHEMBL4407195)	Inhibition of COX2 (unknown origin)
50009393	3	ChEMBL_1904847 (CHEMBL4407205)	Inhibition of ovine COX1
50009393	4	ChEMBL_1904853 (CHEMBL4407211)	Inhibition of ovine COX1 by EIA
50009393	5	ChEMBL_1904854 (CHEMBL4407212)	Inhibition of ovine COX2 by EIA
50009393	6	ChEMBL_1904856 (CHEMBL4407214)	Inhibition of LTB4 (unknown origin) by EIA
50009393	7	ChEMBL_1904865 (CHEMBL4407223)	Inhibition of COX1 (unknown origin)
50009393	8	ChEMBL_1904866 (CHEMBL4407224)	Inhibition of 5-lox (unknown origin)
50009393	9	ChEMBL_1904867 (CHEMBL4407225)	Inhibition of iNOS (unknown origin)
50009393	10	ChEMBL_1904846 (CHEMBL4407204)	Inhibition of ovine COX2
50009393	11	ChEMBL_1904849 (CHEMBL4407207)	Inhibition of ovine COX2 using arachidonic acid as substrate by enzyme immunoassay
50009393	12	ChEMBL_1904868 (CHEMBL4407226)	Inhibition of IL1-beta (unknown origin)
50009394	1	ChEMBL_1904874 (CHEMBL4407232)	Inhibition of 17beta-HSD3 (unknown origin) expressed in human LNCAP cells assessed as reduction in [14C]-testosterone formation from [14C]-4-androstene-3,17-dione measured after 1 hr
50009394	2	ChEMBL_1904878 (CHEMBL4407236)	Inhibition of 17beta-HSD3 in Sprague-Dawley rat testes microsomal fraction assessed as reduction in [14C]-testosterone formation from [14C]-4-androstene-3,17-dione measured after 2 hrs
50009397	1	ChEMBL_1904898 (CHEMBL4407256)	Agonist activity at human androgen receptor in human LNCAP cells harboring firefly luciferase gene after 20 hrs by One-Glo luciferase reporter gene assay
50009397	2	ChEMBL_1904897 (CHEMBL4407255)	Antagonist activity at human androgen receptor in human LNCAP cells harboring firefly luciferase gene after 20 hrs by One-Glo luciferase reporter gene assay
50009397	3	ChEMBL_1904896 (CHEMBL4407254)	Antagonist activity at human progesterone receptor expressed in CHO-K1 cells harboring firefly luciferase gene after 20 hrs by One-Glo luciferase reporter gene assay
50009397	4	ChEMBL_1904899 (CHEMBL4407257)	Antagonist activity at human glucocorticoid receptor expressed in CHO-K1 cells harboring firefly luciferase gene after 20 hrs by One-Glo luciferase reporter gene assay
50009397	5	ChEMBL_1904910 (CHEMBL4407268)	Displacement of fluormone tracer from full length human recombinant glucocorticoid receptor expressed in baculovirus expression system incubated for 2 hrs by competitive fluorescence polarization binding assay
50009397	6	ChEMBL_1904908 (CHEMBL4407266)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50009397	7	ChEMBL_1904909 (CHEMBL4407267)	Inhibition of CYP2C8 (unknown origin) using paclitaxel as substrate
50009397	8	ChEMBL_1904911 (CHEMBL4407269)	Antagonist activity at human glucocorticoid receptor expressed in CHO-K1 cells assessed as inhibition of glucocorticoid receptor-dexamethasone coactivator protein-protein interaction incubated for 24 hrs by bioluminescence assay
50009399	1	ChEMBL_1904968 (CHEMBL4407326)	Agonist activity at human MT2 receptor expressed in HTLA cells assessed as stimulation of beta-arrestin recruitment incubated for 16 to 20 hrs by bright-glo luminescence assay
50009399	2	ChEMBL_1904960 (CHEMBL4407318)	Antagonist activity at human 5HT2B receptor expressed in Flp-In-HEK cells co-expressing Gq assessed as inhibition of 5HT-induced stimulation of calcium mobilization preincubated for 10 mins followed by 5HT addition by fluo-4 calcium dye-based FLIPR assay
50009399	3	ChEMBL_1904967 (CHEMBL4407325)	Agonist activity at human MT1 receptor expressed in HTLA cells assessed as stimulation of beta-arrestin recruitment incubated for 16 to 20 hrs by bright-glo luminescence assay
50009399	4	ChEMBL_1904970 (CHEMBL4407328)	Agonist activity at human ACKR3 expressed in HTLA cells assessed as stimulation of beta-arrestin recruitment incubated for 16 to 20 hrs by bright-glo luminescence assay
50009399	5	ChEMBL_1904963 (CHEMBL4407321)	Antagonist activity at recombinant human A2A receptor expressed in HEK293T cells co-expressing Gs assessed as inhibition of NECA-stimulated cAMP accumulation preincubated for 15 mins followed by NECA addition and measured after 15 mins by Glosensor chemiluminescence assay
50009399	6	ChEMBL_1904962 (CHEMBL4407320)	Inverse agonist activity at recombinant human A2A receptor expressed in HEK293T cells co-expressing Gs assessed as decrease in cAMP accumulation measured after 15 mins by Glosensor chemiluminescence assay
50009399	7	ChEMBL_1904957 (CHEMBL4407315)	Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting analysis
50009399	8	ChEMBL_1904958 (CHEMBL4407316)	Displacement of [3H]ZM241385 from recombinant human A2A receptor incubated for 90 mins under dark condition by microbeta scintillation method
50009401	1	ChEMBL_1905012 (CHEMBL4407370)	Inhibition of human P70S6K by mobility shift assay
50009401	2	ChEMBL_1905105 (CHEMBL4407463)	Inhibition of human SGK by mobility shift assay
50009401	3	ChEMBL_1905010 (CHEMBL4407368)	Inhibition of human ROCK1 by mobile shift assay
50009401	4	ChEMBL_1904982 (CHEMBL4407340)	Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay
50009401	5	ChEMBL_1905007 (CHEMBL4407365)	Inhibition of Akt3 (unknown origin) by mobile shift assay
50009401	6	ChEMBL_1904994 (CHEMBL4407352)	Inhibition of Akt in human LNCaP cells assessed as reduction in PRAS40 phosphorylation at T246 residue after 1 hr by ELISA
50009401	7	ChEMBL_1905006 (CHEMBL4407364)	Inhibition of human Akt2 by mobile shift assay
50009401	8	ChEMBL_1905011 (CHEMBL4407369)	Inhibition of RSK1 (unknown origin) by mobility shift assay
50009401	9	ChEMBL_1905009 (CHEMBL4407367)	Inhibition of PKC (unknown origin)
50009403	1	ChEMBL_1905143 (CHEMBL4407501)	Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay
50009403	2	ChEMBL_1905144 (CHEMBL4407502)	Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay
50009404	1	ChEMBL_1905181 (CHEMBL4407539)	Antagonist activity at human A2AR expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP production by alphascreen assay
50009404	2	ChEMBL_1905178 (CHEMBL4407536)	Inverse agonist activity at human A1AR expressed in CHO cells assessed as increase in forskolin-stimulated cAMP production by alphascreen assay
50009404	3	ChEMBL_1905174 (CHEMBL4407532)	Agonist activity at human A2B expressed in CHO cells assessed as stimulation of cAMP production by alphascreen assay
50009404	4	ChEMBL_1905172 (CHEMBL4407530)	Displacement of [125I]ABMECA from human A3R expressed in CHO cell membranes measured after 120 mins by scintillation counting method
50009404	5	ChEMBL_1905170 (CHEMBL4407528)	Displacement of [3H]ZM241385 from human A2AR expressed in CHO cell membranes measured after 60 mins by scintillation counting method
50009404	6	ChEMBL_1905168 (CHEMBL4407526)	Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method
50009404	7	ChEMBL_1905176 (CHEMBL4407534)	Antagonist activity at human A2BR expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP production by alphascreen assay
50009404	8	ChEMBL_1905180 (CHEMBL4407538)	Antagonist activity at human A1AR expressed in CHO cells assessed as suppression of CCPA-induced inhibition of forskolin-stimulated cAMP production by alphascreen assay
50009406	1	ChEMBL_1905195 (CHEMBL4407553)	Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells using biotin as substrate by spectroscopic analysis
50009407	1	ChEMBL_1905314 (CHEMBL4407672)	Inhibition of His-tagged human TrkB expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE assay
50009407	2	ChEMBL_1905315 (CHEMBL4407673)	Inhibition of His-tagged human TrkC expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE assay
50009407	3	ChEMBL_1905313 (CHEMBL4407671)	Inhibition of His-tagged human TrkA expressed in baculovirus expression system using Tyr1 peptide as substrate after 1.5 hrs by FRET-based Z-LYTE assay
50009407	4	ChEMBL_1905311 (CHEMBL4407669)	Inhibition of GST-tagged recombinant human DDR1 (440 to 876 amino acids) expressed in baculovirus using fluorescein-poly GAT as substrate after 1 hr by FRET-based LanthaScreen Eu kinase binding assay
50009407	5	ChEMBL_1905312 (CHEMBL4407670)	Inhibition of GST-tagged recombinant human DDR2 expressed in baculovirus using fluorescein-poly GAT as substrate after 1 hr by FRET-based LanthaScreen Eu kinase binding assay
50009407	6	ChEMBL_1905316 (CHEMBL4407674)	Binding affinity to wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system
50009407	7	ChEMBL_1905322 (CHEMBL4407680)	Inhibition of human DDR2
50009407	8	ChEMBL_1905323 (CHEMBL4407681)	Inhibition of human ABL1
50009407	9	ChEMBL_1905325 (CHEMBL4407683)	Inhibition of human PDGFRB
50009407	10	ChEMBL_1905326 (CHEMBL4407684)	Inhibition of human TrkC
50009407	11	ChEMBL_1905309 (CHEMBL4407667)	Binding affinity to TrkC (unknown origin)
50009407	12	ChEMBL_1905324 (CHEMBL4407682)	Inhibition of human KIT
50009407	13	ChEMBL_1905310 (CHEMBL4407668)	Binding affinity to TrkB (unknown origin)
50009408	1	ChEMBL_1905383 (CHEMBL4407741)	Inhibition of COX2 (unknown origin) by EIA
50009408	2	ChEMBL_1905390 (CHEMBL4407748)	Inhibition of PPARgamma (unknown origin)
50009408	3	ChEMBL_1905398 (CHEMBL4407756)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50009408	4	ChEMBL_1905401 (CHEMBL4407759)	Inhibition of recombinant human LAT1
50009408	5	ChEMBL_1905412 (CHEMBL4407770)	Inhibition of 5-LOX (unknown origin)
50009408	6	ChEMBL_1905375 (CHEMBL4407733)	Inhibition of MMP2 catalytic domain (unknown origin) using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5 as substrate preincubated for 45 to 120 mins followed by substrate addition measured for 30 mins in 1 min time interval
50009409	1	ChEMBL_1905413 (CHEMBL4407771)	Inhibition of N-terminal His6-tagged Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE3) using Bz-nKRR-AMC as substrate preincubated for 30 mins in presence of bZipro and measured for 60 sec over 10 mins by fluorescence based assay
50009409	2	ChEMBL_1905425 (CHEMBL4407783)	Inhibition of N-terminal unlinked Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE3) using Bz-nKRR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured by fluorescence based assay
50009409	3	ChEMBL_1905424 (CHEMBL4407782)	Inhibition of N-terminal linked Zika virus NS2B (45 to 96 residues) - NS3 (1 to 177 residues) protease domain expressed in Escherichia coli Bl21(DE3) using Bz-nKRR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured by fluorescence based assay
50009409	4	ChEMBL_1905416 (CHEMBL4407774)	Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence based assay
50009409	5	ChEMBL_1905414 (CHEMBL4407772)	Inhibition of N-terminal His-tagged Zika virus NS2B (46 to 99 residues) - NS3 (1 to 187 residues) protease domain expressed in Rosetta2-(DE3) assessed as inhibitory constant using Boc-Gly-Arg-Arg-AMC as substrate and measured for 10 mins by fluorescence based assay
50009409	6	ChEMBL_1905417 (CHEMBL4407775)	Inhibition of N-terminal His-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 185 residues) protease domain expressed in Escherichia coli Bl21(DE3) using TAMRA-RRRRSAG-GXL570 as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence based assay
50009409	7	ChEMBL_1905415 (CHEMBL4407773)	Inhibition of N-terminal His6-tagged Zika virus NS2B (46 to 99 residues) - NS3 (1 to 187 residues) protease domain expressed in Rosetta2-(DE3) using Boc-Gly-Arg-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 6 mins by fluorescence based assay
50009410	1	ChEMBL_1905450 (CHEMBL4407808)	Inhibition of bovine milk xanthine oxidase using xanthine as substrate incubated for 15 mins followed by substrate addition and measured at 30 sec interval for 2 mins by spectrophotometrically
50009411	1	ChEMBL_1905458 (CHEMBL4407816)	Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric assay
50009411	2	ChEMBL_1905459 (CHEMBL4407817)	Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric assay
50009411	3	ChEMBL_1905460 (CHEMBL4407818)	Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric assay
50009412	1	ChEMBL_1905840 (CHEMBL4408198)	Inhibition of recombinant human full length CDK2/CyclinA using as histone H1 substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50009412	2	ChEMBL_1905568 (CHEMBL4407926)	Inhibition of recombinant full length human CDK4/Cyclin D3 using Rb-fragmen as substrate incubated for 40 mins by [gamma-33P]-ATP based radiometric assay
50009412	3	ChEMBL_1905567 (CHEMBL4407925)	Inhibition of recombinant human VEGFR2 (790 to end residues) using myelin ba as substrate incubated for 40 mins by [gamma-33P]-ATP based radiometric assay
50009412	4	ChEMBL_1905832 (CHEMBL4408190)	Inhibition of recombinant human full length CDK1/CyclinB using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50009413	1	ChEMBL_1905892 (CHEMBL4408250)	Positive allosteric modulation of recombinant human GluN1/GluN2B receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by IonWork two-electrode voltage clamp method
50009413	2	ChEMBL_1905890 (CHEMBL4408248)	Positive allosteric modulation of recombinant human GluN1/GluN2A receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by IonWork two-electrode voltage clamp method
50009413	3	ChEMBL_1905894 (CHEMBL4408252)	Positive allosteric modulation of recombinant human GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as increase in glycine/L-glutamate-induced channel current at -80 mV holding potential by two-electrode voltage clamp method
50009413	4	ChEMBL_1905898 (CHEMBL4408256)	Positive allosteric modulation of recombinant rat GluN1/GluN2A receptor expressed in Xenopus laevis oocytes assessed as increase in glycine/L-glutamate-induced channel current at -80 mV holding potential by two-electrode voltage clamp method
50009414	1	ChEMBL_1905929 (CHEMBL4408287)	Inhibition of bovine brain tubulin assembly using GTP as substrate incubated for 20 mins by spectrophotometric method
50009414	2	ChEMBL_1905955 (CHEMBL4408313)	Inhibition of bovine brain tubulin polymerization incubated for 15 mins followed by addition of GTP and measured for 20 mins by turbidimetric analysis
50009415	1	ChEMBL_1905979 (CHEMBL4408337)	Inhibition of recombinant Mycobacterium tuberculosis ICL expressed in Escherichia coli BL21 (DE3) cells using DL-isocitric acid trisodium salt hydrate as substrate after 30 mins
50009416	1	ChEMBL_1906000 (CHEMBL4408358)	Inhibition of recombinant human MMP2 using thiopeptide as substrate preincubated for 30 mins followed by substrate addition and measured every mins for 20 min by colorimetric assay
50009416	2	ChEMBL_1906001 (CHEMBL4408359)	Inhibition of recombinant human MMP9 using thiopeptide as substrate preincubated for 30 mins followed by substrate addition and measured every min for 20 mins by colorimetric assay
50009417	1	ChEMBL_1906033 (CHEMBL4408391)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by Ellman's method
50009417	2	ChEMBL_1906045 (CHEMBL4408403)	Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis
50009417	3	ChEMBL_1906031 (CHEMBL4408389)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by Ellman's method
50009418	1	ChEMBL_1906077 (CHEMBL4408435)	Inhibition of recombinant HIV-1 reverse transcriptase p66/p51 incubated for 40 mins by picogreen dye based spectrofluorometric assay
50009419	1	ChEMBL_1906080 (CHEMBL4408438)	Inhibition of steroid sulfatase in human JEG3 cell using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis
50009422	1	ChEMBL_1906141 (CHEMBL4408499)	Inhibition of chicken liver FASN using acetyl-CoA, malonyl-CoA and NADPH as substrate by spectrophotometer analysis
50009423	1	ChEMBL_1906146 (CHEMBL4408504)	Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of channel current at -90 mV holding potential by two-electrode voltage clamp method
50009423	2	ChEMBL_1906158 (CHEMBL4408516)	Antagonist activity at human 5-HT3A receptor expressed in Xenopus laevis oocytes at -90 mV holding potential in presence of serotonin by two-electrode voltage clamp method
50009423	3	ChEMBL_1906150 (CHEMBL4408508)	Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes preincubated with 1 uM alpha7 type-2 PAM PNU-120596 at -90 mV holding potential by two-electrode voltage clamp method
50009423	4	ChEMBL_1906149 (CHEMBL4408507)	Induction of desensitization at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine induced current treated with compound prior to 100 uM acetylcholine challenge at -90 mV holding potential by two-electrode voltage clamp method
50009423	5	ChEMBL_1906160 (CHEMBL4408518)	Agonist activity at alpha4beta2 nAChR (unknown origin) expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp method
50009423	6	ChEMBL_1906159 (CHEMBL4408517)	Antagonist activity at alpha3beta4 nAChR (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current at -90 mV holding potential by two-electrode voltage clamp method
50009424	1	ChEMBL_1906164 (CHEMBL4408522)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured for 1 min by DTNB reagent-based spectrophotometric analysis
50009424	2	ChEMBL_1906165 (CHEMBL4408523)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured for 1 min by DTNB reagent-based spectrophotometric analysis
50009424	3	ChEMBL_1906171 (CHEMBL4408529)	Non-competitive inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate measured at 2 mins interval for 10 mins by Dixon plot analysis
50009424	4	ChEMBL_1906172 (CHEMBL4408530)	Non-competitive inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate measured at 2 mins interval for 10 mins by Dixon plot analysis
50009424	5	ChEMBL_1906193 (CHEMBL4408551)	Displacement of [125I]IMPY from human amyloid beta(1-42) aggregates incubated for 3 hrs by gamma counting analysis
50009425	1	ChEMBL_1906196 (CHEMBL4408554)	Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate incubated for 48 hrs
50009425	2	ChEMBL_1906197 (CHEMBL4408555)	Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escherichia coli assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate
50009425	3	ChEMBL_1906199 (CHEMBL4408557)	Inhibition of N-terminal His-tagged human IDO2 expressed in Escherichia coli expression system
50009425	4	ChEMBL_1906200 (CHEMBL4408558)	Inhibition of N-terminal His-tagged human TDO expressed in Escherichia coli expression system
50009430	1	ChEMBL_1906289 (CHEMBL4408647)	Displacement of [3H]-DAMGO from full length human MOR expressed in chem5 cells incubated for 60 mins by liquid scintillation counter
50009430	2	ChEMBL_1906288 (CHEMBL4408646)	Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as as inhibition of capsaicin-induced calcium uptake incubated for 5 mins in presence of 45Ca2+ by liquid scintillation counter
50009430	3	ChEMBL_1906286 (CHEMBL4408644)	Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter
50009430	4	ChEMBL_1906287 (CHEMBL4408645)	Agonist activity at recombinant human TRPV1 expressed in CHO cells assessed as increase in calcium uptake incubated for 5 mins in presence of 45Ca2+ and capsaicin by liquid scintillation counter
50009433	1	ChEMBL_1906406 (CHEMBL4408764)	Competitive reversible inhibition of recombinant full-length His-tagged human CDK9/cyclin T expressed in baculovirus infected insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed b substrate addition measured after 25 mins in presence of low ATP by TR-FRET analysis
50009433	2	ChEMBL_1906413 (CHEMBL4408771)	Competitive reversible inhibition of CDK2 (unknown origin)
50009433	3	ChEMBL_1906411 (CHEMBL4408769)	Competitive reversible inhibition of CDK5 (unknown origin)
50009433	4	ChEMBL_1906420 (CHEMBL4408778)	Binding affinity to human FLT3 D385V mutant
50009433	5	ChEMBL_1906433 (CHEMBL4408791)	Competitive irreversible inhibition of CDK16/cyclin Y (unknown origin) in presence of Km ATP
50009433	6	ChEMBL_1906409 (CHEMBL4408767)	Competitive reversible inhibition of CDK8 (unknown origin)
50009433	7	ChEMBL_1906444 (CHEMBL4408802)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate
50009433	8	ChEMBL_1906438 (CHEMBL4408796)	Competitive irreversible inhibition of CDK9/cyclin T (unknown origin) in presence of Km ATP
50009433	9	ChEMBL_1906410 (CHEMBL4408768)	Competitive reversible inhibition of CDK4 (unknown origin)
50009433	10	ChEMBL_1906434 (CHEMBL4408792)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) in presence of 1 mM ATP
50009433	11	ChEMBL_1906449 (CHEMBL4408807)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate in presence of 2 mM ATP
50009433	12	ChEMBL_1906448 (CHEMBL4408806)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) using 5-FAM YSPTSPSYSPTSPSYSPTSPSKKKK as substrate in presence of Km ATP
50009433	13	ChEMBL_1906436 (CHEMBL4408794)	Competitive irreversible inhibition of CDK12/cyclinK (unknown origin) in presence of Km ATP
50009433	14	ChEMBL_1906425 (CHEMBL4408783)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin)
50009433	15	ChEMBL_1906408 (CHEMBL4408766)	Competitive reversible inhibition of CDK6 (unknown origin)
50009433	16	ChEMBL_1906412 (CHEMBL4408770)	Competitive reversible inhibition of CDK7 (unknown origin)
50009433	17	ChEMBL_1906416 (CHEMBL4408774)	Binding affinity to NEK10 (unknown origin)
50009433	18	ChEMBL_1906418 (CHEMBL4408776)	Binding affinity to TTK (unknown origin)
50009433	19	ChEMBL_1906419 (CHEMBL4408777)	Binding affinity to ULK2 (unknown origin)
50009433	20	ChEMBL_1906451 (CHEMBL4408809)	Inhibition of human CDK2/cyclin E
50009433	21	ChEMBL_1906452 (CHEMBL4408810)	Inhibition of human CDK6/cyclin D3
50009433	22	ChEMBL_1906450 (CHEMBL4408808)	Inhibition of human CDK4/cyclinD1
50009433	23	ChEMBL_1906430 (CHEMBL4408788)	Competitive irreversible inhibition of CDK9/cyclin T (unknown origin)
50009433	24	ChEMBL_1906454 (CHEMBL4408812)	Competitive irreversible inhibition of CDK7/cyclinH (unknown origin)
50009433	25	ChEMBL_1906400 (CHEMBL4408758)	Competitive reversible inhibition of CDK2/cyclin E (unknown origin)
50009433	26	ChEMBL_1906401 (CHEMBL4408759)	Inhibition of CDK2 (unknown origin)
50009433	27	ChEMBL_1906403 (CHEMBL4408761)	Inhibition of CDK9 (unknown origin)
50009433	28	ChEMBL_1906405 (CHEMBL4408763)	Competitive reversible inhibition of recombinant full-length His-tagged human CDK9/cyclin T expressed in baculovirus infected insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed b substrate addition measured after 25 mins in presence of high ATP by TR-FRET analysis
50009433	29	ChEMBL_1906426 (CHEMBL4408784)	Competitive irreversible inhibition of CDK12/cyclinK (unknown origin) in presence of 1 mM ATP
50009433	30	ChEMBL_1906431 (CHEMBL4408789)	Competitive irreversible inhibition of CDK2/cyclin E (unknown origin)
50009433	31	ChEMBL_1906435 (CHEMBL4408793)	Competitive irreversible inhibition of CDK7/cyclinH/MAT1 (unknown origin) in presence of Km ATP
50009433	32	ChEMBL_1906422 (CHEMBL4408780)	Inhibition of CDK9/cyclin H (unknown origin)
50009433	33	ChEMBL_1906442 (CHEMBL4408800)	Binding affinity to CDK2 (unknown origin)
50009433	34	ChEMBL_1906417 (CHEMBL4408775)	Binding affinity to SNARK (unknown origin)
50009433	35	ChEMBL_1906421 (CHEMBL4408779)	Binding affinity to human FLT3 ITD mutant
50009433	36	ChEMBL_1906432 (CHEMBL4408790)	Competitive irreversible inhibition of CDK14/cyclin Y (unknown origin) in presence of Km ATP
50009433	37	ChEMBL_1906455 (CHEMBL4408813)	Competitive reversible inhibition of CDK9/CyclinT (unknown origin)
50009433	38	ChEMBL_1906437 (CHEMBL4408795)	Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of Km ATP
50009433	39	ChEMBL_1906429 (CHEMBL4408787)	Competitive irreversible inhibition of CDK13/cyclinK (unknown origin) in presence of 1 mM ATP
50009434	1	ChEMBL_1906456 (CHEMBL4408814)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method
50009436	1	ChEMBL_1906490 (CHEMBL4408848)	Inhibition of recombinant human N-terminal GST-tagged HER2 (676 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009436	2	ChEMBL_1906493 (CHEMBL4408851)	Inhibition of recombinant human N-terminal GST-tagged INSR (1011 to end residues) expressed in baculovirus infected Sf9 insect cells using Axltide as substrate incubated for 1 hr by ADP-Glo assay
50009436	3	ChEMBL_1906495 (CHEMBL4408853)	Inhibition of recombinant human N-terminal GST-tagged PDGFRalpha (550 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009436	4	ChEMBL_1906489 (CHEMBL4408847)	Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009436	5	ChEMBL_1906491 (CHEMBL4408849)	Inhibition of recombinant human N-terminal GST-tagged HER4 (682 to 993 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009436	6	ChEMBL_1906492 (CHEMBL4408850)	Inhibition of recombinant human N-terminal His-tagged IGF1R (960 to end residues) expressed in baculovirus infected Sf9 insect cells using IGF1Rtide as substrate incubated for 1 hr by ADP-Glo assay
50009436	7	ChEMBL_1906494 (CHEMBL4408852)	Inhibition of recombinant human N-terminal GST-tagged KDR (789 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009436	8	ChEMBL_1906496 (CHEMBL4408854)	Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta (557 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50009437	1	ChEMBL_1906504 (CHEMBL4408862)	Transactivation of FXR (unknown origin) transfected in HepG2 cells co-expressing pBSEP/pGL4.74 incubated for 24 hrs by luciferase reporter gene assay
50009438	1	ChEMBL_1906715 (CHEMBL4409073)	Inhibition of alpha-glucosidase (unknown origin)
50009443	1	ChEMBL_1906722 (CHEMBL4409080)	Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation counting method
50009443	2	ChEMBL_1906723 (CHEMBL4409081)	Inhibition of human ERG expressed in HEK293 cells incubated for 72 hrs by patch clamp assay
50009443	3	ChEMBL_1906721 (CHEMBL4409079)	Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells co-expressing Galpha16 incubated for 120 mins by liquid scintillation counting method
50009443	4	ChEMBL_1906719 (CHEMBL4409077)	Inhibition of FAAH in mouse brain membranes using [14C]-AEA as substrate incubated for 15 mins by scintillation counting method
50009443	5	ChEMBL_1906720 (CHEMBL4409078)	Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation counting method
50009443	6	ChEMBL_1906717 (CHEMBL4409075)	Displacement of [3H]-SCH23390 from rat brain membrane D2 receptor incubated for 15 mins by liquid scintillation counting method
50009443	7	ChEMBL_1906718 (CHEMBL4409076)	Displacement of [3H]-7-OH-DPAT from rat brain membrane D3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method
50009444	1	ChEMBL_1906827 (CHEMBL4409185)	Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry
50009444	2	ChEMBL_1906828 (CHEMBL4409186)	Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry
50009445	1	ChEMBL_1906917 (CHEMBL4409275)	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting
50009445	2	ChEMBL_1906993 (CHEMBL4409351)	Inhibition of kappa opioid receptor (unknown origin) in presence of DPDPE by [35S]-GTPgammaS binding assay
50009445	3	ChEMBL_1906948 (CHEMBL4409306)	Inhibition of kappa opioid receptor (unknown origin) by [35S]-GTPgammaS binding assay
50009445	4	ChEMBL_1906936 (CHEMBL4409294)	Inhibition of delta opioid receptor (unknown origin) by MVD assay
50009445	5	ChEMBL_1906988 (CHEMBL4409346)	Inhibition of mu opioid receptor (unknown origin) in presence of DAMGO by [35S]-GTPgammaS binding assay
50009445	6	ChEMBL_1906975 (CHEMBL4409333)	Inhibition of mu opioid receptor in guinea pig brain membranes
50009445	7	ChEMBL_1906931 (CHEMBL4409289)	Inhibition of human mu-opioid receptor assessed as reduction in intracellular cAMP accumulation
50009445	8	ChEMBL_1906924 (CHEMBL4409282)	Inhibition of mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation preincubated for 30 mins followed by forskolin-stimulation and measured after 60 mins
50009445	9	ChEMBL_1906925 (CHEMBL4409283)	Inhibition of mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated beta arrestin 2 recruitment preincubated for 30 mins followed by forskolin-stimulation and measured after 60 mins
50009445	10	ChEMBL_1906966 (CHEMBL4409324)	Inhibition of mu opioid receptor (unknown origin) expressed in human UO5S cells assessed as increase in beta arrestin recruitment
50009445	11	ChEMBL_1906962 (CHEMBL4409320)	Inhibition of mu opioid receptor (unknown origin) expressed in human UO5S cells by [35S]-GTPgammaS binding assay
50009445	12	ChEMBL_1906944 (CHEMBL4409302)	Inhibition of kappa opioid receptor (unknown origin)
50009445	13	ChEMBL_1906943 (CHEMBL4409301)	Binding affinity to kappa opioid receptor (unknown origin)
50009445	14	ChEMBL_1906992 (CHEMBL4409350)	Inhibition of kappa opioid receptor (unknown origin) in presence of DAMGO by [35S]-GTPgammaS binding assay
50009445	15	ChEMBL_1906990 (CHEMBL4409348)	Inhibition of mu opioid receptor (unknown origin) in presence of DPDPE by [35S]-GTPgammaS binding assay
50009445	16	ChEMBL_1906989 (CHEMBL4409347)	Inhibition of delta opioid receptor (unknown origin) in presence of DAMGO by [35S]-GTPgammaS binding assay
50009445	17	ChEMBL_1906991 (CHEMBL4409349)	Inhibition of delta opioid receptor (unknown origin) in presence of DPDPE by [35S]-GTPgammaS binding assay
50009445	18	ChEMBL_1906984 (CHEMBL4409342)	Agonist activity at kappa opioid receptor in guinea pig brain membranes by [35S]-GTPgammaS binding assay
50009445	19	ChEMBL_1906982 (CHEMBL4409340)	Agonist activity at mu opioid receptor in guinea pig brain membranes by [35S]-GTPgammaS binding assay
50009445	20	ChEMBL_1906974 (CHEMBL4409332)	Inhibition of p38 phosphorylation (unknown origin)
50009445	21	ChEMBL_1906972 (CHEMBL4409330)	Inhibition of ERK1 phosphorylation (unknown origin)
50009445	22	ChEMBL_1906958 (CHEMBL4409316)	Partial agonist activity at mu opioid receptor (unknown origin) expressed in CHO cells by [35S]-GTPgammaS binding assay
50009445	23	ChEMBL_1906954 (CHEMBL4409312)	Inhibition of kappa opioid receptor (unknown origin) expressed in CHO cells by [35S]-GTPgammaS binding assay
50009445	24	ChEMBL_1906950 (CHEMBL4409308)	Inhibition of kappa opioid receptor (unknown origin) assessed as effect on ERK1 phosphorylation
50009445	25	ChEMBL_1906946 (CHEMBL4409304)	Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment
50009445	26	ChEMBL_1906947 (CHEMBL4409305)	Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment relative to control
50009445	27	ChEMBL_1906937 (CHEMBL4409295)	Inhibition of mu opioid receptor (unknown origin)
50009445	28	ChEMBL_1906935 (CHEMBL4409293)	Inhibition of delta opioid receptor (unknown origin) by radioligand binding assay
50009445	29	ChEMBL_1906941 (CHEMBL4409299)	Inhibition of full length delta opioid receptor (unknown origin) assessed as increase in beta arrestin 1 recruitment
50009445	30	ChEMBL_1906933 (CHEMBL4409291)	Inhibition of human mu-opioid receptor assessed as increase in beta arrestin 2 recruitment
50009445	31	ChEMBL_1906926 (CHEMBL4409284)	Inhibition of mu-opioid receptor (unknown origin) by [35S]-GTPgammaS binding assay
50009445	32	ChEMBL_1906921 (CHEMBL4409279)	Inhibition of mu opioid receptor (unknown origin) assessed as reduction in intracellular cAMP accumulation
50009445	33	ChEMBL_1906951 (CHEMBL4409309)	Inhibition of kappa opioid receptor (unknown origin) assessed as effect on ERK2 phosphorylation
50009445	34	ChEMBL_1906940 (CHEMBL4409298)	Inhibition of full length delta opioid receptor (unknown origin) assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation
50009445	35	ChEMBL_1906922 (CHEMBL4409280)	Inhibition of mu opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment
50009445	36	ChEMBL_1906942 (CHEMBL4409300)	Inhibition of full length delta opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment
50009445	37	ChEMBL_1906967 (CHEMBL4409325)	Inhibition of delta opioid receptor (unknown origin) expressed in human UO5S cells assessed as increase in beta arrestin recruitment
50009445	38	ChEMBL_1906999 (CHEMBL4409357)	Inhibition of kappa-opioid receptor (unknown origin) by [35S]-GTPgammaS binding assay
50009445	39	ChEMBL_1906964 (CHEMBL4409322)	Inhibition of delta opioid receptor (unknown origin) expressed in human UO5S cells by [35S]-GTPgammaS binding assay
50009445	40	ChEMBL_1906970 (CHEMBL4409328)	Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta-arrestin 2 recruitment
50009445	41	ChEMBL_1906977 (CHEMBL4409335)	Inhibition of kappa opioid receptor in guinea pig brain membranes
50009445	42	ChEMBL_1906973 (CHEMBL4409331)	Inhibition of ERK2 phosphorylation (unknown origin)
50009445	43	ChEMBL_1906956 (CHEMBL4409314)	Partial agonist activity at kappa opioid receptor (unknown origin) expressed in CHO cells by [35S]-GTPgammaS binding assay
50009445	44	ChEMBL_1906928 (CHEMBL4409286)	Inhibition of mu-opioid receptor (unknown origin) assessed as increase in beta-arrestin-2 recruitment by [35S]-GTPgammaS binding assay
50009445	45	ChEMBL_1906959 (CHEMBL4409317)	Agonist activity at kappa opioid receptor (unknown origin) assessed as reduction in beta arrestin recruitment
50009446	1	ChEMBL_1907022 (CHEMBL4409380)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by substrate addition measured at first 2 mins by spectrophotometric analysis
50009447	1	ChEMBL_1907071 (CHEMBL4409429)	Inhibition of recombinant human C-terminal His8-tagged IDH1 R132H mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate preincubated for 60 mins followed by substrate addition measured for 60 mins in presence of NADPH by diaphorase/resazurin-based assay
50009447	2	ChEMBL_1907070 (CHEMBL4409428)	Inhibition of recombinant human C-terminal His8-tagged IDH1 R132C mutant expressed in Escherichia coli BL21 assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate preincubated for 60 mins followed by substrate addition and measured for 60 mins in presence of NADPH by diaphorase/resazurin-based fluorescence assay
50009447	3	ChEMBL_1907072 (CHEMBL4409430)	Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-HG production incubated with compound for 48 hrs by D2HG assay kit based fluorescence assay
50009447	4	ChEMBL_1907069 (CHEMBL4409427)	Inhibition of wild type recombinant human C-terminal His8-tagged IDH1 expressed in Escherichia coli BL21 assessed as reduction in NADP consumption using DL-isocitrate as substrate preincubated for 60 mins followed by substrate addition and measured for 60 mins in presence of NADP by diaphorase/resazurin-based fluorescence assay
50009449	1	ChEMBL_1907093 (CHEMBL4409451)	Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated with enzyme and substrate for 5 mins followed by ATP addition followed by further incubation for 30 mins by HTRF assay
50009449	2	ChEMBL_1907094 (CHEMBL4409452)	Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated with enzyme and substrate for 5 mins followed by ATP addition followed by further incubation for 30 mins by HTRF assay
50009449	3	ChEMBL_1907096 (CHEMBL4409454)	Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate incubated with enzyme and substrate for 5 mins followed by ATP addition followed by further incubation for 30 mins by HTRF assay
50009449	4	ChEMBL_1907095 (CHEMBL4409453)	Inhibition of recombinant human N-terminal GST-tagged ALK G1202R mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated with enzyme and substrate for 5 mins followed by ATP addition followed by further incubation for 30 mins by HTRF assay
50009450	1	ChEMBL_1907171 (CHEMBL4409529)	Inhibition of Bcl-xl in human U266B1 cells assessed as caspase 3/7 activation in presence of 10 % serum for 6 hrs by Caspase 3/7-Glo luminescence assay
50009450	2	ChEMBL_1907166 (CHEMBL4409524)	Inhibition of recombinant human N-terminal GST-tagged Bcl-xl (1 to 209 residues) expressed in Escherichia coli using HyLite Fluor 647-labeled BIM peptide as substrate incubated for 120 to 180 mins by TR-FRET assay
50009450	3	ChEMBL_1907167 (CHEMBL4409525)	Inhibition of recombinant human C-terminal 6xHis-tagged Bcl-2 (M1 to F212 residues) expressed in Escherichia coli using HyLite Fluor 647-labeled BIM peptide as substrate incubated for 120 to 180 mins by TR-FRET assay
50009450	4	ChEMBL_1907169 (CHEMBL4409527)	Inhibition of recombinant human C-terminal 6xHis-tagged Mcl-1 (E171 ti G327) expressed in Escherichia coli using biotin-labeled BIM peptide as substrate incubated for 120 to 180 mins by TR-FRET assay
50009450	5	ChEMBL_1907170 (CHEMBL4409528)	Inhibition of Bcl-xl in human U266B1 cells assessed as caspase 3/7 activation for 6 hrs by Caspase 3/7-Glo luminescence assay
50009450	6	ChEMBL_1907168 (CHEMBL4409526)	Inhibition of recombinant human N-terminal 6xHis-tagged Bcl-w (M1 to R171) expressed in Escherichia coli using HyLite Fluor 647-labeled Bim peptide as substrate incubated for 120 to 180 mins by TR-FRET assay
50009451	1	ChEMBL_1907196 (CHEMBL4409554)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 24 hrs
50009452	1	ChEMBL_1907302 (CHEMBL4409660)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counting method
50009452	2	ChEMBL_1907306 (CHEMBL4409664)	Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method
50009452	3	ChEMBL_1907304 (CHEMBL4409662)	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
50009452	4	ChEMBL_1907312 (CHEMBL4409670)	Agonist activity at human recombinant 5HT1A receptor (unknown origin) stably expressed in CHO-K1 incubated for 30 mins by [35S]GTPgammaS binding assay
50009452	5	ChEMBL_1907313 (CHEMBL4409671)	Antagonist activity at 5HT7R receptor (unknown origin) assessed as forskolin-mediated cAMP accumulation preincubated for 30 mins followed by forskolin addition and measured after 30 mins by TR-FRET analysis
50009455	1	ChEMBL_1907323 (CHEMBL4409681)	Inhibition of recombinant full length human GST-tagged PLK2 expressed in baculovirus expression system using ser/thr 16 as substrate incubated for 1 hr by Z'-LYTE assay
50009455	2	ChEMBL_1907324 (CHEMBL4409682)	Inhibition of recombinant human GST-tagged PLK3 (58 to 340 residues) expressed in baculovirus expression system using ser/thr 16 as substrate incubated for 1 hr by Z'-LYTE assay
50009455	3	ChEMBL_1907322 (CHEMBL4409680)	Inhibition of recombinant full length human His-tagged PLK1 expressed in baculovirus expression system using ser/thr 16 as substrate incubated for 1 hr by Z'-LYTE assay
50009456	1	ChEMBL_1907379 (CHEMBL4409737)	Inhibition of mushroom tyrosinase using L-dopa as substrate by spectrophotometric method
50009462	1	ChEMBL_1907392 (CHEMBL4409750)	Inhibition of cMET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate incubated for 30 mins by HTRF assay
50009463	1	ChEMBL_1907399 (CHEMBL4409757)	Transactivation of human PPARgamma transfected in U2OS cells co-tranfected with human RXR measured after 24 hrs by luciferase reporter assay
50009464	1	ChEMBL_1907405 (CHEMBL4409763)	Inhibition of recombinant human full length C-terminal His-tagged HDAC2 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	2	ChEMBL_1907406 (CHEMBL4409764)	Inhibition of recombinant human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	3	ChEMBL_1907404 (CHEMBL4409762)	Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	4	ChEMBL_1907410 (CHEMBL4409768)	Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using Boc-Lys(TFA)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	5	ChEMBL_1907411 (CHEMBL4409769)	Inhibition of recombinant human full length N-terminal His6/SUMO-tagged HDAC8 expressed in Escherichia coli BL21 DE3 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	6	ChEMBL_1907409 (CHEMBL4409767)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	7	ChEMBL_1907408 (CHEMBL4409766)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC5 expressed in baculovirus infected Sf9 cells using Boc-Lys(TFA)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009464	8	ChEMBL_1907407 (CHEMBL4409765)	Inhibition of recombinant human N-terminal His6/SUMO-tagged/C-terminal SII-tagged HDAC4 expressed in Escherichia coli BL21 DE3 using Boc-Lys(TFA)-AMC as substrate incubated for 1 hr by fluorescence based assay
50009465	1	ChEMBL_1907421 (CHEMBL4409779)	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as increase in mitoxantrone accumulation incubated for 30 mins by flow cytometric method
50009467	1	ChEMBL_1907422 (CHEMBL4409780)	Agonist activity at recombinant human GPR119 expressed in HEK293 cells after 24 hrs by steady-glo luciferase assay
50009470	1	ChEMBL_1907446 (CHEMBL4409804)	Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50009470	2	ChEMBL_1907452 (CHEMBL4409810)	Competitive inhibition of porcine liver carboxylesterase by double reciprocal Lineweaver-Burk plot analysis
50009473	1	ChEMBL_1907618 (CHEMBL4409976)	Inhibition of recombinant human His-tagged Eg5 (1 to 368 residues) assessed as reduction in ATPase activity by Bradford reagent based assay
50009475	1	ChEMBL_1907864 (CHEMBL4410222)	Inhibition of C-terminal His-tagged N-terminal GST-tagged human EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 cells after 30 mins in presence of gamma-[32p-ATP] binding assay
50009477	1	ChEMBL_1908032 (CHEMBL4410390)	Inhibition of ERG in human HEK293 cells incubated for 1 hr by thallium flux assay
50009477	2	ChEMBL_1908040 (CHEMBL4410398)	Inhibition of alpha1 adrenergic receptor (unknown origin)
50009477	3	ChEMBL_1908031 (CHEMBL4410389)	Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux assay
50009477	4	ChEMBL_1908041 (CHEMBL4410399)	Inhibition of PBR receptor (unknown origin)
50009477	5	ChEMBL_1908039 (CHEMBL4410397)	Inhibition of alpha1A adrenergic receptor (unknown origin)
50009477	6	ChEMBL_1908042 (CHEMBL4410400)	Inhibition of D3 receptor (unknown origin)
50009478	1	ChEMBL_1908070 (CHEMBL4410428)	Inhibition of VEGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate measured after 1 hr in presence of ATP by spectrophotometric analysis
50009478	2	ChEMBL_1908071 (CHEMBL4410429)	Inhibition of EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate measured after 1 hr in presence of ATP by spectrophotometric analysis
50009479	1	ChEMBL_1908109 (CHEMBL4410467)	Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50009479	2	ChEMBL_1908107 (CHEMBL4410465)	Inhibition of mouse His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50009479	3	ChEMBL_1908110 (CHEMBL4410468)	Inhibition of recombinant human His-tagged ACC2 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50009479	4	ChEMBL_1908133 (CHEMBL4410491)	Inhibition of ACC1 in human HCT116 cells assessed as reduction in [14C]acetate uptake preincubated for 60 mins followed by [14C]acetate addition and measured after 2 hrs by top count scintillation counting method
50009479	5	ChEMBL_1908108 (CHEMBL4410466)	Inhibition of mouse His-tagged ACC2 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50009480	1	ChEMBL_1908148 (CHEMBL4410506)	Displacement of [3H]-diprenorphin from human mu opioid receptor incubated for 1 hr
50009480	2	ChEMBL_1908149 (CHEMBL4410507)	Agonist activity at human mu opioid receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production by FRET assay
50009482	1	ChEMBL_1908152 (CHEMBL4410510)	Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay
50009484	1	ChEMBL_1908156 (CHEMBL4410514)	Inhibition of human kidney uPA using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate
50009484	2	ChEMBL_1908154 (CHEMBL4410512)	Inhibition of human kidney uPA using fluorogenic Z-Pyr-Gly-Arg-MCA as substrate measured after 15 mins by fluorometric analysis
50009484	3	ChEMBL_1908163 (CHEMBL4410521)	Inhibition of activated protein C (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate
50009484	4	ChEMBL_1908160 (CHEMBL4410518)	Inhibition of trypsin (unknown origin) using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate
50009484	5	ChEMBL_1908169 (CHEMBL4410527)	Inhibition of human uPA
50009484	6	ChEMBL_1908168 (CHEMBL4410526)	Inhibition of mouse uPA
50009484	7	ChEMBL_1908162 (CHEMBL4410520)	Inhibition of factor 11a (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate
50009484	8	ChEMBL_1908161 (CHEMBL4410519)	Inhibition of factor Xa (unknown origin)
50009484	9	ChEMBL_1908155 (CHEMBL4410513)	Inhibition of human plasma kallikrein using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate
50009484	10	ChEMBL_1908159 (CHEMBL4410517)	Inhibition of thrombin (unknown origin) using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate
50009484	11	ChEMBL_1908158 (CHEMBL4410516)	Inhibition of plasmin (unknown origin) using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate
50009484	12	ChEMBL_1908157 (CHEMBL4410515)	Inhibition of tissue-type plasminogen activator (unknown origin) using chromogenic H-D-Ile-L-propyl-L-arginine-p-nitroaniline as substrate
50009489	1	ChEMBL_1908194 (CHEMBL4410552)	Antagonist activity at histamine H1 receptor (unknown origin)
50009490	1	ChEMBL_1908221 (CHEMBL4410579)	Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50009490	2	ChEMBL_1908224 (CHEMBL4410582)	Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50009490	3	ChEMBL_1908223 (CHEMBL4410581)	Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50009491	1	ChEMBL_1908254 (CHEMBL4410612)	Inhibition of human dihydrofolate reductase using dihydrofolate as substrate in presence of NADPH by UV-vis spectrophotometry analysis
50009494	1	ChEMBL_1908338 (CHEMBL4410696)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin) expressed in HEK293 cells membranes incubated for 60 mins by scintillation counting method
50009494	2	ChEMBL_1908339 (CHEMBL4410697)	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method
50009494	3	ChEMBL_1908340 (CHEMBL4410698)	Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]serotonin reuptake incubated for 15 mins by scintillation counting method
50009499	1	ChEMBL_1908375 (CHEMBL4410733)	Inhibition of BCR/Abl M351T mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay
50009499	2	ChEMBL_1908374 (CHEMBL4410732)	Inhibition of BCR/Abl F317I mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay
50009499	3	ChEMBL_1908370 (CHEMBL4410728)	Inhibition of BCR/Abl Y253F mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay
50009499	4	ChEMBL_1908369 (CHEMBL4410727)	Inhibition of BCR/Abl Q252H mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay
50009499	5	ChEMBL_1908368 (CHEMBL4410726)	Inhibition of wild type BCR/Abl (unknown origin) transfected in mouse Ba/F3 cells assessed as inhibition of cell proliferation measured after 72 hrs by CellTiter-Glo luminescent cell viability assay
50009501	1	ChEMBL_1908427 (CHEMBL4410785)	Inhibition of AChE (unknown origin) by Ellman's method
50009501	2	ChEMBL_1908426 (CHEMBL4410784)	Inhibition of BChE (unknown origin) incubated for 10 mins by Ellman's method
50009502	1	ChEMBL_1908430 (CHEMBL4410788)	Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by fluorescence spectrophotometry analysis
50009502	2	ChEMBL_1908431 (CHEMBL4410789)	Inhibition of human recombinant ERAP2 expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by fluorescence spectrophotometry analysis
50009502	3	ChEMBL_1908432 (CHEMBL4410790)	Inhibition of human recombinant IRAP expressed in baculovirus infected Sf9 cells using omniMMP fluorogenic substrate incubated for 5 to 10 mins by fluorescence spectrophotometry analysis
50009502	4	ChEMBL_1908433 (CHEMBL4410791)	Competitive inhibition of human recombinant ERAP1 expressed in baculovirus infected sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50009502	5	ChEMBL_1908435 (CHEMBL4410793)	Competitive inhibition of human recombinant IRAP expressed in baculovirus infected sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50009502	6	ChEMBL_1908434 (CHEMBL4410792)	Competitive inhibition of human recombinant ERAP2 expressed in baculovirus infected sf9 cells using R-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50009503	1	ChEMBL_1908442 (CHEMBL4410800)	Inhibition of chymotrypsin-like activity of beta5 subunit of 20S proteasome in human erythrocytes using Suc-LLVY-MCA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 3 hrs by fluorescence spectrophotometric analysis
50009503	2	ChEMBL_1908444 (CHEMBL4410802)	Inhibition of caspase-like activity of beta1 subunit of 20S proteasome in human erythrocytes using Z-LLE-MCA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 3 hrs by fluorescence spectrophotometeric analysis
50009503	3	ChEMBL_1908443 (CHEMBL4410801)	Inhibition of trypsin-like activity of beta2 subunit of 20S proteasome in human erythrocytes using Boc-LRR-MCA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 3 hrs by fluorescence spectrophotometric analysis
50009504	1	ChEMBL_1908481 (CHEMBL4410839)	Inhibition of full length recombinant human NAMPT using N15-NAM as substrate preincubated for 15 mins followed by substrate addition and measured after 90 mins by LCMS analysis
50009504	2	ChEMBL_1908478 (CHEMBL4410836)	Inhibition of human recombinant CYP3A4 using midazolam as substrate incubated for 40 to 130 mins in presence of NADPH by LC-MS/MS analysis
50009505	1	ChEMBL_1908490 (CHEMBL4410848)	Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins followed by IFNgamma/LPS stimulation and incubated for 18 hrs by LC/MS-MS analysis
50009505	2	ChEMBL_1908488 (CHEMBL4410846)	Inhibition of recombinant His-tagged IDO1 (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assay
50009505	3	ChEMBL_1908489 (CHEMBL4410847)	Inhibition of IDO1 in human HeLa cells stimulated with IFNgamma using L-tryptophan as substrate incubated for 48 hrs by fluorescence based assay
50009505	4	ChEMBL_1908502 (CHEMBL4410860)	Inhibition of TDO in human SW480 cells incubated for 48 hrs using L-tryptophan as substrate by fluorescence based assay
50009505	5	ChEMBL_1908503 (CHEMBL4410861)	Inhibition of CYP450 (unknown origin)
50009505	6	ChEMBL_1908523 (CHEMBL4410881)	Inhibition of mouse IDO1 preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assay
50009505	7	ChEMBL_1908491 (CHEMBL4410849)	Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS assessed as unbound potency using L-tryptophan/kynurenine as substrate incubated for 15 mins followed by IFNgamma/LPS stimulation and incubated for 18 hrs by LC/MS-MS analysis
50009505	8	ChEMBL_1908504 (CHEMBL4410862)	Activation of PXR (unknown origin)
50009505	9	ChEMBL_1908522 (CHEMBL4410880)	Inhibition of rat IDO1 preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assay
50009506	1	ChEMBL_1908527 (CHEMBL4410885)	Inhibition of human N-terminal GST-tagged EGFR (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay
50009506	2	ChEMBL_1908536 (CHEMBL4410894)	Inhibition of recombinant human His-tagged KIT V559D/V654A double mutant expressed in baculovirus expression system at 10 uM by kinomescan assay
50009506	3	ChEMBL_1908533 (CHEMBL4410891)	Inhibition of EGFR double T790M/L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml Cetuximab by celltiter-glo luminescent cell viability assay
50009506	4	ChEMBL_1908531 (CHEMBL4410889)	Inhibition of EGFR (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml Cetuximab by celltiter-glo luminescent cell viability assay
50009506	5	ChEMBL_1908529 (CHEMBL4410887)	Inhibition of human N-terminal GST-tagged EGFR double T790M/L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay
50009506	6	ChEMBL_1908537 (CHEMBL4410895)	Inhibition of tracer 236 binding to recombinant full length human GST-tagged SLK expressed in baculovirus expression system measured after 60 mins by Lanthascreen assay relative to control
50009506	7	ChEMBL_1908526 (CHEMBL4410884)	Binding affinity to wild-type human partial length SLK (S14 to A307 residues) expressed in bacterial expression system assessed as residual binding level at 10 uM by Kinomescan method
50009506	8	ChEMBL_1908534 (CHEMBL4410892)	Inhibition of EGFR triple T790M/L858R/C797S mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml Cetuximab by celltiter-glo luminescent cell viability assay
50009506	9	ChEMBL_1908532 (CHEMBL4410890)	Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml Cetuximab by celltiter-glo luminescent cell viability assay
50009506	10	ChEMBL_1908530 (CHEMBL4410888)	Inhibition of human N-terminal GST-tagged EGFR triple T790M/L858R/C797S mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay
50009506	11	ChEMBL_1908528 (CHEMBL4410886)	Inhibition of human N-terminal GST-tagged EGFR L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay
50009507	1	ChEMBL_1908539 (CHEMBL4410897)	Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]ATP based SPA assay
50009507	2	ChEMBL_1908556 (CHEMBL4410914)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-IgE antibody-induced CD63 expression by flow cast kit method
50009507	3	ChEMBL_1908559 (CHEMBL4410917)	Inhibition of PI3Kdelta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP based scintillation counting method
50009507	4	ChEMBL_1908561 (CHEMBL4410919)	Inhibition of PI3Kbeta (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP based scintillation counting method
50009507	5	ChEMBL_1908562 (CHEMBL4410920)	Inhibition of PI3Kgamma (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP based scintillation counting method
50009507	6	ChEMBL_1908563 (CHEMBL4410921)	Inhibition of human ERG expressed in HEK293 cells by voltage patch clamp assay
50009507	7	ChEMBL_1908538 (CHEMBL4410896)	Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in AKT phosphorylation incubated for 2 hrs by Alexa flour 488 based FACS analysis
50009507	8	ChEMBL_1908560 (CHEMBL4410918)	Inhibition of PI3Kalpha (unknown origin) using D-myophosphatidylinositol 4,5-bisphosphate as substrate incubated for 120 mins by [gamma-33P]-ATP based scintillation counting method
50009508	1	ChEMBL_1908594 (CHEMBL4410952)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assay
50009508	2	ChEMBL_1908593 (CHEMBL4410951)	Inhibition of mTORC2 in human A431 cells assessed as AKT phosphorylation at S473 residue incubated for 3 hrs by HTRF assay
50009508	3	ChEMBL_1908592 (CHEMBL4410950)	Inhibition of mTORC1 in human A431 cells assessed as S6RP phosphorylation incubated for 3 hrs by HTRF assay
50009508	4	ChEMBL_1908591 (CHEMBL4410949)	Inhibition of human recombinant GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 peptide as substrate incubated for 1 hr by LanthaScreen assay
50009509	1	ChEMBL_1908619 (CHEMBL4410977)	Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer based TR-FRET assay
50009510	1	ChEMBL_1908620 (CHEMBL4410978)	Inhibition of rosiglitazone-activated human TRPC5 channel expressed in HEK293 cells assessed as reduction in Ca2+ current measured at +80 mV with holding potential of -60 mV by Q-patch clamp assay
50009510	2	ChEMBL_1908635 (CHEMBL4410993)	Inhibition of OAG-activated human TRPC6 channel expressed in HEK293 cells by Q-patch clamp assay
50009510	3	ChEMBL_1908673 (CHEMBL4411031)	Inhibition of lanthanum-activated human TRPC5 channel expressed in HEK293 cells measured at holding potential of -60 mV by Q-patch clamp assay
50009510	4	ChEMBL_1908637 (CHEMBL4410995)	Inhibition of human ERG stably expressed in HEK293 cells measured at holding potential of -90 mV by manual patch clamp assay
50009510	5	ChEMBL_1908636 (CHEMBL4410994)	Inhibition of human Nav1.5 stably expressed in CHO cells measured at holding potential of -80 mV by manual patch clamp assay
50009510	6	ChEMBL_1908668 (CHEMBL4411026)	Inhibition of rosiglitazone-activated rat TRPC5 channel expressed in HEK293 cells assessed as reduction in Ca2+ current measured at +80 mV with holding potential of -60 mV by Q-patch clamp assay
50009510	7	ChEMBL_1908676 (CHEMBL4411034)	Inhibition of riluzole-activated human TRPC5 channel expressed in HEK293 cells measured at holding potential of -60 mV by Q-patch clamp assay
50009510	8	ChEMBL_1908633 (CHEMBL4410991)	Inhibition of human TRPC5 channel expressed in HEK293 cells assessed as decrease in current amplitude treated for 3 mins measured between +80 mV and -80 mV by manual patch clamp assay
50009510	9	ChEMBL_1908674 (CHEMBL4411032)	Inhibition of (-)-Englerin-activated human TRPC5 channel expressed in HEK293 cells measured at holding potential of -60 mV by Q-patch clamp assay
50009510	10	ChEMBL_1908634 (CHEMBL4410992)	Inhibition of Englerin-activated human TRPC4 channel expressed in HEK293 cells by Q-patch clamp assay
50009511	1	ChEMBL_1908754 (CHEMBL4411112)	Inhibition of human GRK5 using tubulin as substrate measured after 100 mins by [gamma-32P]-ATP assay
50009511	2	ChEMBL_1908746 (CHEMBL4411104)	Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay
50009511	3	ChEMBL_1908745 (CHEMBL4411103)	Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay
50009511	4	ChEMBL_1908744 (CHEMBL4411102)	Inhibition of human GRK5 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay
50009511	5	ChEMBL_1908738 (CHEMBL4411096)	Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated for 10 mins followed by compound addition and measured after 10 to 15 mins by fluorescence polarization displacement assay
50009511	6	ChEMBL_1908741 (CHEMBL4411099)	Inhibition of human GRK5 using tubulin as substrate measured after 0 mins by [gamma-32P]-ATP assay
50009511	7	ChEMBL_1908742 (CHEMBL4411100)	Inhibition of human GRK5 using tubulin as substrate measured after 30 mins by [gamma-32P]-ATP assay
50009511	8	ChEMBL_1908748 (CHEMBL4411106)	Inhibition of bovine GRK5 C474S mutant using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay
50009511	9	ChEMBL_1908739 (CHEMBL4411097)	Displacement of BODIPY TR-ADP from human GRK2 preincubated for 10 mins followed by compound addition and measured after 10 to 15 mins by fluorescence polarization displacement assay
50009511	10	ChEMBL_1908740 (CHEMBL4411098)	Displacement of BODIPY TR-ADP from GRK5 (unknown origin) preincubated for 10 mins followed by compound addition and measured after 10 to 15 mins by fluorescence polarization displacement assay
50009511	11	ChEMBL_1908743 (CHEMBL4411101)	Inhibition of human GRK5 using tubulin as substrate measured after 60 mins by [gamma-32P]-ATP assay
50009512	1	ChEMBL_1908755 (CHEMBL4411113)	Inhibition of recombinant porcine brain PREP expressed in Escherichia coli assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorometric assay
50009512	2	ChEMBL_1908756 (CHEMBL4411114)	Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorometric assay
50009513	1	ChEMBL_1908762 (CHEMBL4411120)	Displacement of [3H]-DPN from guinea pig kappa opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay
50009513	2	ChEMBL_1908761 (CHEMBL4411119)	Displacement of [3H]-DPN from recombinant human delta opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay
50009513	3	ChEMBL_1908760 (CHEMBL4411118)	Displacement of [3H]-DPN from recombinant human mu opioid receptor expressed in CHO-K1 cell membranes by radioligand binding assay
50009514	1	ChEMBL_1908805 (CHEMBL4411163)	Binding affinity to BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by PrOF NMR assay
50009514	2	ChEMBL_1908807 (CHEMBL4411165)	Binding affinity to BRDT bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) by PrOF NMR assay
50009515	1	ChEMBL_1908813 (CHEMBL4411171)	Inhibition of 0.05 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for 30 mins followed by substrate and cofactor addition and measured after 180 mins by scintillation proximity assay
50009515	2	ChEMBL_1908812 (CHEMBL4411170)	Inhibition of 0.5 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for 30 mins followed by substrate and cofactor addition and measured after 90 mins by scintillation proximity assay
50009516	1	ChEMBL_1908862 (CHEMBL4411220)	Binding affinity to C-terminal His6-tagged MLLT1 YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli Rosetta by isothermal titration calorimetry
50009516	2	ChEMBL_1908863 (CHEMBL4411221)	Inhibition of C-terminal His6-tagged MLLT1 YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli Rosetta by alphascreen assay
50009516	3	ChEMBL_1908860 (CHEMBL4411218)	Inhibition of human MLLT1 by alphascreen assay
50009516	4	ChEMBL_1908861 (CHEMBL4411219)	Binding affinity to human MLLT1 by isothermal titration calorimetry
50009518	1	ChEMBL_1908867 (CHEMBL4411225)	Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay
50009518	2	ChEMBL_1908886 (CHEMBL4411244)	Inhibition of recombinant human C-terminal His6-tagged S-COMT expressed in 293-6E cells using 7,8-dihydroxy-4-methylcoumarin as substrate and SAM as cofactor incubated for 1 hr by MTase Glo methyltransferase assay
50009518	3	ChEMBL_1908898 (CHEMBL4411256)	Inhibition of MAO-B (unknown origin)
50009518	4	ChEMBL_1908897 (CHEMBL4411255)	Inhibition of MAO-A (unknown origin)
50009519	1	ChEMBL_1908901 (CHEMBL4411347)	Inhibition of tyrosinase (unknown origin)
50009519	2	ChEMBL_1908904 (CHEMBL4411350)	Inhibition of Agaricus bisporus tyrosinase using L-tyrosine as substrate after 30 mins by spectrophotometric analysis
50009519	3	ChEMBL_1908906 (CHEMBL4411352)	Inhibition of tyrosinase (unknown origin) assessed as reduction in diphenolase activity
50009519	4	ChEMBL_1908909 (CHEMBL4411355)	Inhibition of mushroom tyrosinase
50009519	5	ChEMBL_1908910 (CHEMBL4411356)	Inhibition of human tyrosinase
50009519	6	ChEMBL_1908915 (CHEMBL4411361)	Inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by spectrophotometric analysis
50009519	7	ChEMBL_1908922 (CHEMBL4411368)	Inhibition of tyrosinase in mouse B16F10 cells assessed as reduction in melanin synthesis after 2 hrs by spectrophotometric analysis
50009519	8	ChEMBL_1908917 (CHEMBL4411363)	Inhibition of human tyrosinase after 120 mins
50009519	9	ChEMBL_1908919 (CHEMBL4411365)	Inhibition of tyrosinase in mouse B16 cells assessed as reduction in alpha-MSH induced melanin synthesis
50009519	10	ChEMBL_1908902 (CHEMBL4411348)	Inhibition of tyrosinase in mouse B16 cells
50009519	11	ChEMBL_1908903 (CHEMBL4411349)	Inhibition of Agaricus bisporus tyrosinase using L-tyrosine as substrate after 60 mins by spectrophotometric analysis
50009519	12	ChEMBL_1908905 (CHEMBL4411351)	Inhibition of tyrosinase (unknown origin) assessed as reduction in monophenolase activity
50009519	13	ChEMBL_1908899 (CHEMBL4411345)	Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr
50009519	14	ChEMBL_1908913 (CHEMBL4411359)	Competitive inhibition of Agaricus bisporus tyrosinase
50009519	15	ChEMBL_1908914 (CHEMBL4411360)	Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected Sf9 cells using L-DOPA as substrate by double-reciprocal plot analysis
50009521	1	ChEMBL_1909011 (CHEMBL4411457)	Inhibition of calf thymus DNA topoisomerase 1 assessed as decrease in relaxation of supercoiled pBR322 DNA after 30 mins by Genview nucleic acid staining based agarose gel electrophoresis
50009522	1	ChEMBL_1909079 (CHEMBL4411525)	Agonist activity at human TRPA1
50009522	2	ChEMBL_1909075 (CHEMBL4411521)	Antagonist activity at human alpha7 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced currents at -70 mV holding potential by electrophysiology
50009522	3	ChEMBL_1909073 (CHEMBL4411519)	Antagonist activity at TRPA1 (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of mustard oil-induced currents by two-electrode voltage clamp method
50009522	4	ChEMBL_1909047 (CHEMBL4411493)	Agonist activity at recombinant human Cb2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP levels measured up to 30 mins by luminescence assay
50009522	5	ChEMBL_1909046 (CHEMBL4411492)	Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation counting method
50009527	1	ChEMBL_1909147 (CHEMBL4411593)	Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assay
50009527	2	ChEMBL_1909148 (CHEMBL4411594)	Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assay
50009527	3	ChEMBL_1909149 (CHEMBL4411595)	Inhibition of human JAK2 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assay
50009527	4	ChEMBL_1909137 (CHEMBL4411583)	Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFN-gamma addition and measured measured after 15 mins by FACS assay
50009527	5	ChEMBL_1909141 (CHEMBL4411587)	Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubated for 45 mins followed by IL-12 addition and measured measured after 15 mins by FACS assay
50009527	6	ChEMBL_1909086 (CHEMBL4411532)	Inhibition of human JAK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assay
50009527	7	ChEMBL_1909136 (CHEMBL4411582)	Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition and measured measured after 15 mins by FACS assay
50009527	8	ChEMBL_1909146 (CHEMBL4411592)	Inhibition of JAK2 homodimer signaling pathway in human spiked CD34 +ve cells of whole blood assessed as reduction in EPO induced STAT5 phosphorylation preincubated for 45 mins followed by EPO addition and measured measured after 15 mins by FACS assay
50009527	9	ChEMBL_1909150 (CHEMBL4411596)	Inhibition of human JAK3 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assay
50009527	10	ChEMBL_1909084 (CHEMBL4411530)	Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assay
50009527	11	ChEMBL_1909085 (CHEMBL4411531)	Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assay
50009527	12	ChEMBL_1909087 (CHEMBL4411533)	Inhibition of human JAK3 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assay
50009527	13	ChEMBL_1909102 (CHEMBL4411548)	Inhibition of recombinant human VEGFR2 using Ulight-CAGAGAIETDKEYYTVKD as substrate after 60 mins
50009527	14	ChEMBL_1909138 (CHEMBL4411584)	Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 45 mins followed by IL-6 addition and measured measured after 15 mins by FACS assay
50009527	15	ChEMBL_1909140 (CHEMBL4411586)	Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-10 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-10 addition and measured measured after 15 mins by FACS assay
50009527	16	ChEMBL_1909142 (CHEMBL4411588)	Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition and measured measured after 15 mins by FACS assay
50009527	17	ChEMBL_1909144 (CHEMBL4411590)	Inhibition of JAK2/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-23 addition and measured measured after 15 mins by FACS assay
50009527	18	ChEMBL_1909145 (CHEMBL4411591)	Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 addition and measured measured after 15 mins by FACS assay
50009527	19	ChEMBL_1909139 (CHEMBL4411585)	Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-6 addition and measured measured after 15 mins by FACS assay
50009527	20	ChEMBL_1909143 (CHEMBL4411589)	Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-21 addition and measured measured after 15 mins by FACS assay
50009529	1	ChEMBL_1909270 (CHEMBL4411716)	Activation of insulin-stimulated glycogen synthase in human HepG2 cells using [U-14C]UDP glucose as substrate preincubated for 18 hrs followed by insulin stimulation and measured after 15 mins by beta-counting method
50009529	2	ChEMBL_1909269 (CHEMBL4411715)	Inhibition of glucose-6-phosphatase in rat H42E cells using glucose-6-phosphate as substrate preincubated overnight followed by substrate addition and measured after 40 mins
50009531	1	ChEMBL_1909275 (CHEMBL4411721)	Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha after 6 hrs by luciferase reporter gene assay
50009534	1	ChEMBL_1909301 (CHEMBL4411747)	Inhibition of LMP7 in human MOLT4 cells by ELISA
50009534	2	ChEMBL_1909302 (CHEMBL4411748)	Inhibition of 20S proteosome beta 5 in human MOLT4 cells by ELISA
50009534	3	ChEMBL_1909303 (CHEMBL4411749)	Inhibition of LMP2 in human MOLT4 cells by ELISA
50009534	4	ChEMBL_1909304 (CHEMBL4411750)	Inhibition of 20S proteosome beta 1 in human MOLT4 cells by ELISA
50009534	5	ChEMBL_1909308 (CHEMBL4411754)	Inhibition of 20S proteosome beta 5 in mouse A20 cells by ELISA
50009534	6	ChEMBL_1909309 (CHEMBL4411755)	Inhibition of LMP2 in mouse A20 cells by ELISA
50009534	7	ChEMBL_1909306 (CHEMBL4411752)	Inhibition of 20S proteosome beta 2 in human MOLT4 cells by ELISA
50009534	8	ChEMBL_1909307 (CHEMBL4411753)	Inhibition of LMP7 in mouse A20 cells by ELISA
50009534	9	ChEMBL_1909305 (CHEMBL4411751)	Inhibition of MECL1 in human MOLT4 cells by ELISA
50009534	10	ChEMBL_1909312 (CHEMBL4411758)	Inhibition of 20S proteosome beta 2 in mouse A20 cells by ELISA
50009534	11	ChEMBL_1909310 (CHEMBL4411756)	Inhibition of 20S proteosome beta 1 in mouse A20 cells by ELISA
50009534	12	ChEMBL_1909311 (CHEMBL4411757)	Inhibition of MECL1 in mouse A20 cells by ELISA
50009535	1	ChEMBL_1909470 (CHEMBL4411916)	Antagonist activity at human androgen receptor expressed in HEK293 cells assessed as inhibition of R1881-induced receptor transactivation after 24 hrs by luciferase reporter gene assay
50009535	2	ChEMBL_1909469 (CHEMBL4411915)	Displacement of [3H]-mibolerone from recombinant wild-type GST-tagged androgen receptor LBD (unknown origin) after 16 hrs by scintillation counting analysis
50009536	1	ChEMBL_1909512 (CHEMBL4411958)	Inhibition of wild-type EGFR (unknown origin) using substrate-biotin by ELISA-based mobility shift assay
50009536	2	ChEMBL_1909513 (CHEMBL4411959)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) using substrate-biotin by ELISA-based mobility shift assay
50009537	1	ChEMBL_1909554 (CHEMBL4412000)	Inhibition of K+-induced voltage gated calcium channel opening in human SH-SY5Y cells assessed as decrease in Ca2+ level after 10 mins by Fluo-4 dye-based fluorescence assay
50009537	2	ChEMBL_1909556 (CHEMBL4412002)	Inhibition of GSK3beta (unknown origin) pre-incubated for 30 mins followed by ULight-GS (Ser641/pSer657) peptide substrate addition and measured after 1 hr by TR-FRET assay
50009538	1	ChEMBL_1909560 (CHEMBL4412006)	Inhibition of Plasmodium falciparum falcipain-2 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by spectrofluorometric analysis
50009538	2	ChEMBL_1909561 (CHEMBL4412007)	Inhibition of Plasmodium falciparum falcipain-3 preincubated for 30 mins followed by Z-Leu-Arg-AMC substrate addition and measured up to 15 mins by spectrofluorometric analysis
50009540	1	ChEMBL_1909595 (CHEMBL4412041)	Inhibition of porcine brain tubulin polymerization preincubated for 30 mins and measured every 2 mins for 60 mins by spectrophotometric analysis
50009541	1	ChEMBL_1909647 (CHEMBL4412093)	Inhibition of human PKCalpha using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50009541	2	ChEMBL_1909658 (CHEMBL4412104)	Inhibition of human PKCb2 using Histone H1 as substrate by [gamma-33P]-ATP assay
50009541	3	ChEMBL_1909644 (CHEMBL4412090)	Inhibition of human JNK1 using ATF2 as substrate by [gamma-33P]-ATP assay
50009541	4	ChEMBL_1909645 (CHEMBL4412091)	Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay
50009541	5	ChEMBL_1909646 (CHEMBL4412092)	Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50009541	6	ChEMBL_1909650 (CHEMBL4412096)	Inhibition of human TLK1 using Histone H3 as substrate by [gamma-33P]-ATP assay
50009541	7	ChEMBL_1909651 (CHEMBL4412097)	Inhibition of human JNK2 using ATF2 as substrate by [gamma-33P]-ATP assay
50009541	8	ChEMBL_1909654 (CHEMBL4412100)	Inhibition of human PKN2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50009541	9	ChEMBL_1909655 (CHEMBL4412101)	Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay
50009541	10	ChEMBL_1909657 (CHEMBL4412103)	Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50009541	11	ChEMBL_1909649 (CHEMBL4412095)	Inhibition of human MST3 using MBP as substrate by [gamma-33P]-ATP assay
50009541	12	ChEMBL_1909653 (CHEMBL4412099)	Inhibition of human CDK3/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay
50009541	13	ChEMBL_1909652 (CHEMBL4412098)	Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay
50009541	14	ChEMBL_1909659 (CHEMBL4412105)	Inhibition of human JNK3 using ATF2 as substrate by [gamma-33P]-ATP assay
50009541	15	ChEMBL_1909648 (CHEMBL4412094)	Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay
50009541	16	ChEMBL_1909656 (CHEMBL4412102)	Inhibition of human STK25 using MBP as substrate by [gamma-33P]-ATP assay
50009542	1	ChEMBL_1909739 (CHEMBL4412185)	Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay
50009543	1	ChEMBL_1909741 (CHEMBL4412187)	Binding affinity to BDNF (unknown origin) by SPR assay
50009543	2	ChEMBL_1909742 (CHEMBL4412188)	Binding affinity to MDK (unknown origin) by SPR assay
50009543	3	ChEMBL_1909743 (CHEMBL4412189)	Binding affinity to PTN (unknown origin) by SPR assay
50009544	1	ChEMBL_1909754 (CHEMBL4412200)	Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluorescence polarization assay
50009544	2	ChEMBL_1909759 (CHEMBL4412205)	Binding affinity to His6-tagged PDEdelta (unknown origin) by isothermal titration calorimetry
50009544	3	ChEMBL_1909758 (CHEMBL4412204)	Binding affinity to PDEdelta (unknown origin)
50009545	1	ChEMBL_1909762 (CHEMBL4412208)	Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50009545	2	ChEMBL_1909792 (CHEMBL4412238)	Inhibition of SRC (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	3	ChEMBL_1909786 (CHEMBL4412232)	Inhibition of BRK (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	4	ChEMBL_1909788 (CHEMBL4412234)	Inhibition of CSK (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	5	ChEMBL_1909790 (CHEMBL4412236)	Inhibition of LCK (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	6	ChEMBL_1909763 (CHEMBL4412209)	Inhibition of human LYN-B using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50009545	7	ChEMBL_1909764 (CHEMBL4412210)	Inhibition of human MELK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50009545	8	ChEMBL_1909768 (CHEMBL4412214)	Inhibition of human wild type FLT3 (V592 to Y969 residues) expressed in bacterial expression system
50009545	9	ChEMBL_1909769 (CHEMBL4412215)	Inhibition of human CAMK1G using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50009545	10	ChEMBL_1909771 (CHEMBL4412217)	Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50009545	11	ChEMBL_1909785 (CHEMBL4412231)	Inhibition of ABL1 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	12	ChEMBL_1909787 (CHEMBL4412233)	Inhibition of BTK (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	13	ChEMBL_1909789 (CHEMBL4412235)	Inhibition of Fyn A (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	14	ChEMBL_1909791 (CHEMBL4412237)	Inhibition of Lyn B (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 1 hr by ADP-Glo luminescence assay
50009545	15	ChEMBL_1909770 (CHEMBL4412216)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay
50009545	16	ChEMBL_1909776 (CHEMBL4412222)	Displacement of [3H]-nociceptin from human nociceptin receptor expressed in cell membranes after 60 mins by liquid scintillation counting analysis
50009546	1	ChEMBL_1909870 (CHEMBL4412316)	Inhibition of DDR2 (unknown origin) using poly (Glu, Tyr) 4:1 substrate after 60 mins by ELISA
50009546	2	ChEMBL_1909874 (CHEMBL4412320)	Inhibition of FGFR1 (unknown origin) after 60 mins by ELISA
50009546	3	ChEMBL_1910001 (CHEMBL4412447)	Inhibition of human ERG by automated patch clamp electrophysiology assay
50009547	1	ChEMBL_1910044 (CHEMBL4412490)	Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system using fluorescence-labeled substrate by off-chip mobility shift assay
50009547	2	ChEMBL_1910070 (CHEMBL4412516)	Inhibition of CYP2C19 in liver microsomes (unknown origin) using (+/-) N-3-benzylnirvanol as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009547	3	ChEMBL_1910067 (CHEMBL4412513)	Inhibition of CYP3A4 in liver microsomes (unknown origin) using ketoconazole as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009547	4	ChEMBL_1910068 (CHEMBL4412514)	Inhibition of CYP1A2 in liver microsomes (unknown origin) using alpha-naphthoflavone as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009547	5	ChEMBL_1910069 (CHEMBL4412515)	Inhibition of CYP2C9 in liver microsomes (unknown origin) using sulfaphenazole as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009547	6	ChEMBL_1910072 (CHEMBL4412518)	Binding affinity to human ERG by fluorescence polarization assay
50009547	7	ChEMBL_1910071 (CHEMBL4412517)	Inhibition of CYP2B6 in liver microsomes (unknown origin) using clopidogrel as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50009547	8	ChEMBL_1910046 (CHEMBL4412492)	Inhibition of recombinant FLAG-tagged TAK1 (unknown origin) co-expressed with TAB (unknown origin) in baculovirus using BT-MKK as substrate after 1 hr by AlphaScreen assay
50009547	9	ChEMBL_1910047 (CHEMBL4412493)	Inhibition of TAK1 (unknown origin)
50009547	10	ChEMBL_1910045 (CHEMBL4412491)	Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay
50009548	1	ChEMBL_1910088 (CHEMBL4412534)	Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorometric assay
50009549	1	ChEMBL_1910169 (CHEMBL4412615)	Inhibition of human recombinant MARK4 expressed in Escherichia coli M15 cells after 2 hrs in presence of [gamma-32-P]ATP by TLC analysis based ATPase assay
50009550	1	ChEMBL_1910274 (CHEMBL4412720)	Inhibition of SMS2 (unknown origin) over-expressed in H5 insect cell lysate using C6-NBD-Ceramide and DMPC as substrates preincubated for 30 mins followed by substrate addition and measured after 2 hrs by TLC or HPLC method
50009550	2	ChEMBL_1910275 (CHEMBL4412721)	Inhibition of purified SMS2 (unknown origin) using C6-NBD-Ceramide and DMPC as substrates preincubated for 5 mins followed by substrate addition and measured after 30 mins by TLC or HPLC method
50009550	3	ChEMBL_1910276 (CHEMBL4412722)	Inhibition of purified SMS1 (unknown origin) using C6-NBD-Ceramide and DMPC as substrates preincubated for 5 mins followed by substrate addition and measured after 30 mins by TLC or HPLC method
50009551	1	ChEMBL_1910364 (CHEMBL4412810)	Inhibition of porcine brain tubulin polymerization
50009552	1	ChEMBL_1910488 (CHEMBL4412934)	Inhibition of human erythrocyte CuZn-SOD by UV-Visible spectrophotometric method
50009555	1	ChEMBL_1910543 (CHEMBL4412989)	Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based fluorescence assay
50009555	2	ChEMBL_1910544 (CHEMBL4412990)	Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye based fluorescence assay
50009555	3	ChEMBL_1910545 (CHEMBL4412991)	Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoechst 3334 addition measured after 30 mins by fluorescence assay
50009556	1	ChEMBL_1910714 (CHEMBL4413160)	Binding affinity to wild-type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Kinomescan assay
50009556	2	ChEMBL_1910711 (CHEMBL4413157)	Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay
50009556	3	ChEMBL_1910720 (CHEMBL4413166)	Inhibition of CDK8/CyclinC (unknown origin)
50009556	4	ChEMBL_1910729 (CHEMBL4413175)	Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expressed in baculovirus expression system after 60 mins by TR-FRET assay
50009556	5	ChEMBL_1910713 (CHEMBL4413159)	Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay
50009556	6	ChEMBL_1910716 (CHEMBL4413162)	Binding affinity to wild-type partial length human PKACalpha (G10 to F351 residues) expressed in bacterial expression system by Kinomescan assay
50009556	7	ChEMBL_1910725 (CHEMBL4413171)	Inhibition of CDK8 (unknown origin)
50009556	8	ChEMBL_1910712 (CHEMBL4413158)	Binding affinity to wild-type partial length human ERRB2 (K646 to V1225 residues) expressed in mammalian expression system by Kinomescan assay
50009556	9	ChEMBL_1910721 (CHEMBL4413167)	Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in presence of [gamma33P-ATP] by microbeta scintillation counting method
50009556	10	ChEMBL_1910728 (CHEMBL4413174)	Inhibition of recombinant human GST/His-tagged CDK11 (1 to 502 residues)/cyclinC (1 to 283 residues) catalytic domain expressed in insect cells by Lantha screen eu binding assay
50009556	11	ChEMBL_1910730 (CHEMBL4413176)	Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay
50009556	12	ChEMBL_1910715 (CHEMBL4413161)	Binding affinity to wild-type partial length human ROCK2 (M1 to T431 residues) expressed in mammalian expression system by Kinomescan assay
50009556	13	ChEMBL_1910726 (CHEMBL4413172)	Inhibition of CDK19 (unknown origin)
50009556	14	ChEMBL_1910727 (CHEMBL4413173)	Inhibition of recombinant full-length human His-tagged CDK8/cyclinC expressed in baculovirus expression system by Lantha screen assay
50009557	1	ChEMBL_1910758 (CHEMBL4413204)	Inhibition of recombinant human His-tagged PDK2 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminescence assay
50009557	2	ChEMBL_1910760 (CHEMBL4413206)	Inhibition of recombinant human His-tagged PDK4 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminescence assay
50009557	3	ChEMBL_1910757 (CHEMBL4413203)	Inhibition of recombinant human His-tagged PDK1 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminescence assay
50009557	4	ChEMBL_1910759 (CHEMBL4413205)	Inhibition of recombinant human His-tagged PDK3 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminescence assay
50009557	5	ChEMBL_1910762 (CHEMBL4413208)	Binding affinity to recombinant human His-tagged PDK1 expressed in Escherichia coli by isothermal calorimetry
50009557	6	ChEMBL_1910802 (CHEMBL4413248)	Inhibition of E2-activated human PDHK2
50009557	7	ChEMBL_1910761 (CHEMBL4413207)	Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assay
50009557	8	ChEMBL_1910803 (CHEMBL4413249)	Inhibition of recombinant human His6-tagged N-terminal PDHK2 (A8 to T399 residues) expressed in baculovirus expression system using PDC as substrate incubated for 10 mins followed by ATP addition measured at 12 secs interval for 20 mins
50009558	1	ChEMBL_1910901 (CHEMBL4413347)	Inhibition of [3H]-dofetilide binding to human ERG expressed in HEK293 cell membranes measured after 1 hr by liquid scintillation counting method
50009560	1	ChEMBL_1910923 (CHEMBL4413369)	Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues)/human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using H4 peptide as substrate preincubated for 15 mins followed by substrate and [3H]SAM addition and measured after 1 hr by scintillation counting method
50009560	2	ChEMBL_1910930 (CHEMBL4413376)	Inhibition of recombinant full length human N-terminal FLAG-tagged PRMT7 expressed in Sf9 insect cells preincubated for 15 mins followed by substrate and [3H]SAM addition and measured after 240 mins by microbeta method
50009560	3	ChEMBL_1910927 (CHEMBL4413373)	Inhibition of human N-terminal GST-tagged PRMT3 (2 to end residues) expressed in Escherichia coli preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50009560	4	ChEMBL_1910931 (CHEMBL4413377)	Inhibition of human N-terminal His/FLAG-tagged PRMT8 (61 to 394 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50009560	5	ChEMBL_1910928 (CHEMBL4413374)	Inhibition of human N-terminal FLAG-tagged PRMT4 (2 to end residues) expressed in FreeStyle 293-F cells preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50009560	6	ChEMBL_1910926 (CHEMBL4413372)	Inhibition of human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 insect cells preincubated for 15 mins followed by substrate and [3H]SAM addition and measured after 1 hr by microbeta method
50009560	7	ChEMBL_1910929 (CHEMBL4413375)	Inhibition of human N-terminal His-tagged PRMT6 (2 to 375 residues) expressed in Escherichia coli preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalisa assay
50009561	1	ChEMBL_1910957 (CHEMBL4413403)	Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in presence of [gamma-32P]ATP
50009561	2	ChEMBL_1910941 (CHEMBL4413387)	Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [gamma-32P]ATP by TLC analysis
50009561	3	ChEMBL_1910960 (CHEMBL4413406)	Binding affinity to 5HT2C receptor (unknown origin)
50009561	4	ChEMBL_1910956 (CHEMBL4413402)	Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mins by ADP-Glo luminescence assay
50009561	5	ChEMBL_1910959 (CHEMBL4413405)	Binding affinity to 5HT2A receptor (unknown origin)
50009561	6	ChEMBL_1910958 (CHEMBL4413404)	Inhibition of rat FLAG-tagged DGKalpha expressed in HEK293T cells using DAG as substrate measured after 15 mins in presence of [gamma-32P]ATP by scintillation counting method
50009563	1	ChEMBL_1910961 (CHEMBL4413407)	Inhibition of human hepatic cell derived 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-WLA-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009563	2	ChEMBL_1910970 (CHEMBL4413416)	Inhibition of human peripheral blood derived 20s immunoproteasome beta5 chymotrypsin-like activity using Suc-PAL-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009563	3	ChEMBL_1910967 (CHEMBL4413413)	Inhibition of human hepatic cell derived 20s constitutive proteasome beta2 trypsin-like activity using Suc-LLE-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009563	4	ChEMBL_1910968 (CHEMBL4413414)	Inhibition of human peripheral blood derived 20s immunoproteasome beta1 caspase-like activity using Suc-PAL-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009563	5	ChEMBL_1910966 (CHEMBL4413412)	Inhibition of human hepatic cell derived 20s constitutive proteasome beta1 caspase-like activity using Suc-LLE-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009564	1	ChEMBL_1910984 (CHEMBL4413430)	Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay
50009564	2	ChEMBL_1910981 (CHEMBL4413427)	Inhibition of human CYP3A4 in presence of NADPH by luciferase reporter gene assay
50009564	3	ChEMBL_1910983 (CHEMBL4413429)	Inhibition of human CYP1A2 in presence of NADPH by luciferase reporter gene assay
50009564	4	ChEMBL_1910991 (CHEMBL4413437)	Binding affinity to Trypanosoma cruzi CYP51 by UV-vis spectrophotometry
50009565	1	ChEMBL_1911014 (CHEMBL4413460)	Inhibition of human recombinant iPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis
50009565	2	ChEMBL_1910996 (CHEMBL4413442)	Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free [14C]-AA formation after 30 mins by scintillation counting
50009565	3	ChEMBL_1910999 (CHEMBL4413445)	Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as assessed as reduction in free AA formation after 30 mins in presence of equal molar mixture of PAPA/PAPC/PAPE/PAPG/PAPS/PLPC by HPLC-MS analysis
50009565	4	ChEMBL_1911002 (CHEMBL4413448)	Inhibition of human recombinant calcium-independent PLA2 using PAPA as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009565	5	ChEMBL_1911015 (CHEMBL4413461)	Inhibition of human recombinant sPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis
50009565	6	ChEMBL_1911000 (CHEMBL4413446)	Inhibition of human recombinant calcium-independent PLA2 using PAPE as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presence of equal molar mixture of PAPA/PAPC/PAPE/PAPG/PAPS/PLPC by HPLC-MS analysis
50009565	7	ChEMBL_1910994 (CHEMBL4413440)	Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009565	8	ChEMBL_1910998 (CHEMBL4413444)	Inhibition of human recombinant calcium-independent PLA2 using PAPS as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presence of equal molar mixture of PAPA/PAPC/PAPE/PAPG/PAPS/PLPC by HPLC-MS analysis
50009565	9	ChEMBL_1911001 (CHEMBL4413447)	Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009565	10	ChEMBL_1911004 (CHEMBL4413450)	Inhibition of human recombinant iPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009565	11	ChEMBL_1911007 (CHEMBL4413453)	Inhibition of human recombinant calcium-independent PLA2 using PAPG as substrate assessed as reduction in 16:0 LPC formation after 30 mins in presence of equal molar mixture of PAPA/PAPC/PAPE/PAPG/PAPS/PLPC by HPLC-MS analysis
50009565	12	ChEMBL_1911008 (CHEMBL4413454)	Inhibition of human recombinant calcium-independent PLA2 using PAPG as substrate assessed as reduction in free [14C]-AA formation after 30 mins in presence of equal molar mixture of PAPA/PAPC/PAPE/PAPG/PAPS/PLPC by HPLC-MS analysis
50009565	13	ChEMBL_1911006 (CHEMBL4413452)	Inhibition of human recombinant cPLA2 assessed as reduction in free FA formation after 30 mins by HPLC-MS analysis
50009565	14	ChEMBL_1910995 (CHEMBL4413441)	Inhibition of human recombinant calcium-independent PLA2 using PAPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS analysis
50009565	15	ChEMBL_1910997 (CHEMBL4413443)	Inhibition of human recombinant calcium-independent PLA2 using PLPC as substrate assessed as reduction in free AA formation after 30 mins by HPLC-MS analysis
50009565	16	ChEMBL_1911003 (CHEMBL4413449)	Inhibition of human recombinant cPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009565	17	ChEMBL_1911005 (CHEMBL4413451)	Inhibition of human recombinant sPLA2 assessed as reduction in 16:0 LPC formation after 30 mins by HPLC-MS analysis
50009566	1	ChEMBL_1911027 (CHEMBL4413473)	Negative allosteric modulation of human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in quisqualate-induced Ca2+ mobilization incubated for 18 hrs and measured every 1.5 secs intervals for 60 secs by Fluo-4/AM dye-based fluorescence analysis
50009566	2	ChEMBL_1911030 (CHEMBL4413476)	Inhibition of recombinant human CYP3A4 using 7-benzyloxy-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50009566	3	ChEMBL_1911028 (CHEMBL4413474)	Inhibition of recombinant human CYP1A2 using 3-cyano-7-ethoxycoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins
50009566	4	ChEMBL_1911029 (CHEMBL4413475)	Inhibition of recombinant human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methylcoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50009566	5	ChEMBL_1911024 (CHEMBL4413470)	Displacement of [3H]MPEP from human mGlu5 receptor expressed in CHO-TREx cell membranes after 60 mins by liquid scintillation spectrometric analysis
50009566	6	ChEMBL_1911025 (CHEMBL4413471)	Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysis
50009566	7	ChEMBL_1911034 (CHEMBL4413480)	Inhibition of recombinant human CYP2B6
50009566	8	ChEMBL_1911044 (CHEMBL4413490)	Inhibition of Cav1.2 (unknown origin)
50009566	9	ChEMBL_1911031 (CHEMBL4413477)	Inhibition of recombinant human CYP2C9
50009566	10	ChEMBL_1911035 (CHEMBL4413481)	Competitive inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 20 mins by LC-MS/MS analysis
50009566	11	ChEMBL_1911042 (CHEMBL4413488)	Inhibition of human ERG
50009566	12	ChEMBL_1911032 (CHEMBL4413478)	Inhibition of recombinant human CYP2C19
50009566	13	ChEMBL_1911076 (CHEMBL4413522)	Antagonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as reduction in calcium activated photo protein aequorin level incubated for 18 hrs measured every 1.5 secs intervals for 60 secs by Fluo-4/AM dye-based fluorescence analysis
50009566	14	ChEMBL_1911043 (CHEMBL4413489)	Inhibition of NaV1.5 (unknown origin)
50009566	15	ChEMBL_1911033 (CHEMBL4413479)	Inhibition of recombinant human CYP2C8
50009566	16	ChEMBL_1911075 (CHEMBL4413521)	Agonist activity at human mGlu5 receptor expressed in CHO-TREx cell membranes assessed as increased in calcium activated photo protein aequorin level incubated for 18 hrs measured every 1.5 secs intervals for 60 secs by Fluo-4/AM dye-based fluorescence analysis
50009567	1	ChEMBL_1911098 (CHEMBL4413544)	Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	2	ChEMBL_1911101 (CHEMBL4413547)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC5 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	3	ChEMBL_1911094 (CHEMBL4413540)	Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	4	ChEMBL_1911095 (CHEMBL4413541)	Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	5	ChEMBL_1911097 (CHEMBL4413543)	Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	6	ChEMBL_1911099 (CHEMBL4413545)	Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by fluorescence assay
50009567	7	ChEMBL_1911093 (CHEMBL4413539)	Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	8	ChEMBL_1911096 (CHEMBL4413542)	Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	9	ChEMBL_1911100 (CHEMBL4413546)	Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	10	ChEMBL_1911102 (CHEMBL4413548)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC7 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	11	ChEMBL_1911103 (CHEMBL4413549)	Inhibition of recombinant full length C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009567	12	ChEMBL_1911104 (CHEMBL4413550)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC11 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50009569	1	ChEMBL_1911234 (CHEMBL4413680)	Inhibition of recombinant human 5-LOX expressed in Escherichia coli using arachidonic acid as substrate by UV-vis spectrophotometric method
50009569	2	ChEMBL_1911235 (CHEMBL4413681)	Inhibition of human 5-LOX using arachidonic acid as substrate measured after 10 mins by ELISA
50009570	1	ChEMBL_1911240 (CHEMBL4413686)	Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insect cells using Gly-Pro-AMC as substrate measured at 60 secs interval for 20 mins by fluorescence assay
50009570	2	ChEMBL_1911241 (CHEMBL4413687)	Inhibition of recombinant full-length human N-terminal GST-tagged DPP8 expressed in Sf9 insect cells using Gly-Pro-AMC as substrate measured at 60 secs interval for 20 mins by fluorescence assay
50009570	3	ChEMBL_1911242 (CHEMBL4413688)	Inhibition of recombinant full-length human N-terminal GST-tagged DPP9 expressed in Sf9 insect cells using Gly-Pro-AMC as substrate measured at 60 secs interval for 20 mins by fluorescence assay
50009571	1	ChEMBL_1911269 (CHEMBL4413715)	Inhibition of NS5B polymerase S282T mutant in HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay
50009571	2	ChEMBL_1911268 (CHEMBL4413714)	Inhibition of NS5B polymerase in HCV genotype 1b/5a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis
50009571	3	ChEMBL_1911283 (CHEMBL4413729)	Inhibition of NS5B polymerase in HCV genotype 5a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	4	ChEMBL_1911260 (CHEMBL4413706)	Inhibition of NS5B polymerase in HCV genotype 2a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis
50009571	5	ChEMBL_1911263 (CHEMBL4413709)	Inhibition of NS5B polymerase in wild type HCV genotype 1b infected in human Huh7 replicon cells after 5 days by RT-PCR assay
50009571	6	ChEMBL_1911278 (CHEMBL4413724)	Inhibition of NS5B polymerase in HCV genotype 3a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	7	ChEMBL_1911280 (CHEMBL4413726)	Inhibition of NS5B polymerase S282T mutant in HCV genotype 1b infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	8	ChEMBL_1911259 (CHEMBL4413705)	Inhibition of NS5B polymerase in HCV genotype 1b/4a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis
50009571	9	ChEMBL_1911298 (CHEMBL4413744)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole-cell patch clamp assay
50009571	10	ChEMBL_1911279 (CHEMBL4413725)	Inhibition of NS5B polymerase in HCV genotype 6a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	11	ChEMBL_1911282 (CHEMBL4413728)	Inhibition of NS5B polymerase in HCV genotype 4a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	12	ChEMBL_1911277 (CHEMBL4413723)	Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	13	ChEMBL_1911281 (CHEMBL4413727)	Inhibition of NS5B polymerase in HCV genotype 2a infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009571	14	ChEMBL_1911309 (CHEMBL4413755)	Inhibition of human DNA polymerase alpha using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP by PAGE analysis
50009571	15	ChEMBL_1911310 (CHEMBL4413756)	Inhibition of human DNA polymerase beta using 5-end radiolabeled 24nt to 48nt DNA as primer template after 5 mins in presence of dCTP/dGTP/dTTP/dATP by PAGE analysis
50009571	16	ChEMBL_1911261 (CHEMBL4413707)	Inhibition of NS5B polymerase in HCV genotype 1a infected in human HuH7 replicon cells after 5 days by RT-PCR analysis
50009571	17	ChEMBL_1911258 (CHEMBL4413704)	Inhibition of NS5B polymerase in HCV genotype 1b/3a chimeric replicon infected in human HuH7 replicon cells after 5 days by RT-PCR analysis
50009571	18	ChEMBL_1911276 (CHEMBL4413722)	Inhibition of NS5B polymerase in HCV genotype 1b infected in human HuH7 replicon cells after 96 hrs by RT-PCR analysis
50009573	1	ChEMBL_1911350 (CHEMBL4413796)	Inhibition of full length human APE1 assessed as reduction in endonuclease activity by measuring DNA cleavage of abasic sites using 6-FAM labelled two annealed oligonucleotides as AP site mimic substrate by fluorescence-based assay
50009575	1	ChEMBL_1911362 (CHEMBL4413808)	Binding affinity to ERRbeta (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay
50009575	2	ChEMBL_1911359 (CHEMBL4413805)	Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay
50009575	3	ChEMBL_1911363 (CHEMBL4413809)	Binding affinity to ERalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay
50009575	4	ChEMBL_1911361 (CHEMBL4413807)	Binding affinity to ERRalpha (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay
50009575	5	ChEMBL_1911364 (CHEMBL4413810)	Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed as effect on beta-galactosidase activity after 24 hrs by luciferase reporter gene assay
50009575	6	ChEMBL_1911375 (CHEMBL4413821)	Inhibition of human ERG after 4 hrs by fluorescence polarization assay
50009576	1	ChEMBL_1911441 (CHEMBL4413887)	Inhibition of human fibrinogen binding to human platelet integrin alpha2b-beta3 receptor after 1 hr by solid-phase binding assay
50009576	2	ChEMBL_1911436 (CHEMBL4413882)	Inhibition of LAP binding to human integrin alphavbeta8 receptor after 1 hr by solid-phase binding assay
50009576	3	ChEMBL_1911438 (CHEMBL4413884)	Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by solid-phase binding assay
50009576	4	ChEMBL_1911439 (CHEMBL4413885)	Inhibition of human vitronectin binding to human integrin alphavbeta5 receptor after 1 hr by solid-phase binding assay
50009576	5	ChEMBL_1911435 (CHEMBL4413881)	Inhibition of LAP binding to human integrin alphavbeta6 receptor after 1 hr by solid-phase binding assay
50009576	6	ChEMBL_1911440 (CHEMBL4413886)	Inhibition of human fibronectin binding to human integrin alpha5beta1 receptor after 1 hr by solid-phase binding assay
50009577	1	ChEMBL_1911467 (CHEMBL4413913)	Inhibition of human BRAF V600E mutant using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P-ATP] by scintillation counting method
50009578	1	ChEMBL_1911469 (CHEMBL4413915)	Inhibition of recombinant human N-terminal GST/His6-fused FLT3 ITD mutant (R571 to S993 residues) expressed in Sf9 insect cells assessed as residual activity using ULightTM-TK peptide as substrate incubated for 90 mins under dark condition by FRET assay
50009580	1	ChEMBL_1911478 (CHEMBL4413924)	Binding affinity to human 6His-tagged PPARgamma LBD expressed in Escherichia coli BL21(DE3) using FITC-NTKNHPMLMNLLKDNPAQD peptide by isothermal titration calorimetry
50009580	2	ChEMBL_1911479 (CHEMBL4413925)	Transactivation of full length human PPARgamma2 expressed in HEK293T cells co-expressing PPRE after 18 hrs by luciferase reporter gene assay
50009580	3	ChEMBL_1911474 (CHEMBL4413920)	Activation of human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia coli BL21(DE3) assessed as increase in FITC-TRAP220 peptide recruitment after 1 hr by FITC/TR-FRET assay
50009580	4	ChEMBL_1911475 (CHEMBL4413921)	Displacement of FITC-NCoR1 peptide from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by FITC/TR-FRET assay
50009580	5	ChEMBL_1911471 (CHEMBL4413917)	Transactivation of chimeric Gal4 yeast DBD fused-PPARgamma LBD (unknown origin) expressed in HEK293T cells co-expressing PPRE after 18 hrs by luciferase reporter gene assay
50009580	6	ChEMBL_1911472 (CHEMBL4413918)	Displacement of fluormone PanPPAR green tracer ligand from human 6His-tagged PPARgamma isoform 1 LBD (203 to 477 residues) expressed in Escherichia coli BL21(DE3) after 1 hr by TR-FRET assay
50009582	1	ChEMBL_1911486 (CHEMBL4413932)	Agonist activity at human alpha3beta2 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay
50009582	2	ChEMBL_1911484 (CHEMBL4413930)	Agonist activity at human alpha7 nAChR expressed in mouse Neuro2a cells co-expressing chaperone NACHO assessed as increase in intracellular Ca2+ levels in presence of PNU120596 by calcium flux assay
50009582	3	ChEMBL_1911481 (CHEMBL4413927)	Displacement of [3H]-methyllycaconitine from alpha7* nAChR in rat brain P2 membranes after 2.5 hrs by liquid scintillation spectrometry
50009582	4	ChEMBL_1911485 (CHEMBL4413931)	Agonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes after 4 to 5 days at -60 mV holding potential by patch clamp assay
50009584	1	ChEMBL_1911513 (CHEMBL4413959)	Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	2	ChEMBL_1911514 (CHEMBL4413960)	Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	3	ChEMBL_1911519 (CHEMBL4413965)	Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry
50009584	4	ChEMBL_1911512 (CHEMBL4413958)	Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	5	ChEMBL_1911515 (CHEMBL4413961)	Inhibition of human CPB1 using AAFA as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	6	ChEMBL_1911531 (CHEMBL4413977)	Inhibition of human MMP13 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	7	ChEMBL_1911530 (CHEMBL4413976)	Inhibition of human MMP12 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	8	ChEMBL_1911522 (CHEMBL4413968)	Inhibition of rat CPA3 using AAFP as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	9	ChEMBL_1911517 (CHEMBL4413963)	Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ratio by spectrophotometry
50009584	10	ChEMBL_1911527 (CHEMBL4413973)	Inhibition of human MMP9 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009584	11	ChEMBL_1911529 (CHEMBL4413975)	Inhibition of human MMP10 using fluorogenic Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 peptide as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry
50009585	1	ChEMBL_1911555 (CHEMBL4414001)	Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presence of 150 mM Na+ by fluorescence-based assay (Rvb = 3 uM)
50009585	2	ChEMBL_1911556 (CHEMBL4414002)	Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 100 mM in presence of 150 mM Na+ by fluorescence-based assay (Rvb = 3 uM)
50009585	3	ChEMBL_1911557 (CHEMBL4414003)	Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as BC50 for ANS binding to TTR at 5 uM in presence of 150 mM K+ by fluorescence-based assay (Rvb = 3 uM)
50009586	1	ChEMBL_1911577 (CHEMBL4414023)	Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as surrogate substrate as preincubated for 30 to 60 mins followed by substrate addition and measured after 30 mins bpV-based fluorescence assay
50009586	2	ChEMBL_1911576 (CHEMBL4414022)	Inhibition of SHP2 in human KYSE520 cells assessed as reduction in ERK phosphorylation after 2 hrs by SureFire p-ERK assay
50009586	3	ChEMBL_1911580 (CHEMBL4414026)	Inhibition of human ERG
50009586	4	ChEMBL_1911601 (CHEMBL4414047)	Inhibition of CYP3A4 (unknown origin)
50009586	5	ChEMBL_1911602 (CHEMBL4414048)	Inhibition of CYP2C9 (unknown origin)
50009586	6	ChEMBL_1911603 (CHEMBL4414049)	Inhibition of CYP2D6 (unknown origin)
50009588	1	ChEMBL_1911675 (CHEMBL4414121)	Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50009588	2	ChEMBL_1911676 (CHEMBL4414122)	Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay
50009588	3	ChEMBL_1911678 (CHEMBL4414124)	Inhibition of human ERG by Q-patch assay
50009588	4	ChEMBL_1911679 (CHEMBL4414125)	Inhibition of SHP2 (unknown origin)
50009588	5	ChEMBL_1911664 (CHEMBL4414110)	Inhibition of human ERG
50009588	6	ChEMBL_1911666 (CHEMBL4414112)	Inhibition of CYP3A4 (unknown origin)
50009588	7	ChEMBL_1911668 (CHEMBL4414114)	Inhibition of CYP2C9 (unknown origin)
50009588	8	ChEMBL_1911667 (CHEMBL4414113)	Inhibition of CYP2D6 (unknown origin)
50009589	1	ChEMBL_1911687 (CHEMBL4414133)	Inhibition of PDE10 (unknown origin)
50009590	1	ChEMBL_1911690 (CHEMBL4414136)	Induction of human c-ABL phosphorylation at Y245/Y412 residues in bacmam-induced HEK-MSR2 cell lysates by in-cell Western blot analysis
50009590	2	ChEMBL_1911689 (CHEMBL4414135)	Displacement of Myr-GQQPGKVLGDQRRPSL(K-TAMRA)G-amide from N-terminal-truncated human c-ABL D382N mutant (46 to 534 residues) after 30 mins by fluorescence polarization binding assay
50009590	3	ChEMBL_1911688 (CHEMBL4414134)	Activation of full length human 6His-tagged c-Abl expressed in baculovirus expression system using abltide as substrate after 2 hrs by IMAP assay
50009592	1	ChEMBL_1911714 (CHEMBL4414160)	Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay
50009592	2	ChEMBL_1911705 (CHEMBL4414151)	Inhibition of recombinant human GST-tagged CK2alpha H160A mutant in presence of ATP by radiometric kinase assay relative to control
50009592	3	ChEMBL_1911744 (CHEMBL4414190)	Inhibition of CK2 in human 786-0 cells assessed as reduction in STAT3 phosphorylation at Y705 after 24 hrs by Western blot analysis
50009592	4	ChEMBL_1911699 (CHEMBL4414145)	Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay relative to control
50009592	5	ChEMBL_1911715 (CHEMBL4414161)	Binding affinity to recombinant human GST-tagged CK2alpha after 120 secs by surface plasmon resonance analysis
50009592	6	ChEMBL_1911743 (CHEMBL4414189)	Inhibition of CK2alpha (unknown origin) assessed as reduction in nucleolin phosphorylation in presence of ATP by radiometric kinase assay
50009592	7	ChEMBL_1911721 (CHEMBL4414167)	Inhibition of recombinant human GST-tagged CK2alpha V73A mutant in presence of ATP by radiometric kinase assay relative to control
50009592	8	ChEMBL_1911738 (CHEMBL4414184)	Inhibition of CK2 in human 786-0 cells assessed as decrease in p21 phosphorylation at Thr145 after 24 hrs by Western blot analysis
50009592	9	ChEMBL_1911742 (CHEMBL4414188)	Inhibition of CK2alpha (unknown origin) assessed as reduction in GST-Six1 phosphorylation in presence of ATP by radiometric kinase assay
50009592	10	ChEMBL_1911720 (CHEMBL4414166)	Allosteric binding affinity to human CK2alpha (1 to 335 residues) at 300 uM secs by ITC assay
50009592	11	ChEMBL_1911736 (CHEMBL4414182)	Inhibition of CK2 in human 786-0 cells assessed as decrease in Akt1 phosphorylation at Ser129 after 24 hrs by Western blot analysis
50009592	12	ChEMBL_1911737 (CHEMBL4414183)	Inhibition of CK2 in human 786-0 cells assessed as decrease in alpha-catenin phosphorylation at Ser641 after 24 hrs by Western blot analysis
50009592	13	ChEMBL_1911741 (CHEMBL4414187)	Inhibition of CK2beta autophosphorylation (unknown origin) in presence of ATP by radiometric kinase assay
50009592	14	ChEMBL_1911748 (CHEMBL4414194)	Inhibition of recombinant human CK2alpha using RRRDDDSDDD substrate and [gamma-33P]ATP by scintillation counting method
50009592	15	ChEMBL_1911749 (CHEMBL4414195)	Inhibition of N-terminal GST-tagged human CLK2 (138 to end residues) using SR-rich substrate and [gamma-33P]ATP incubated for 40 mins by scintillation counting method
50009592	16	ChEMBL_1911752 (CHEMBL4414198)	Inhibition of human recombinant DyrK1b by fluorescence-based immunoassay
50009592	17	ChEMBL_1911712 (CHEMBL4414158)	Inhibition of CK2 in human 786-0 cells assessed as decrease in alpha-catenin phosphorylation at Ser641 assuming basal level of non-responsive P-alpha-catenin of 50% of DMSO control after 24 hrs by Western blot analysis
50009592	18	ChEMBL_1911718 (CHEMBL4414164)	Competitive inhibition of recombinant human GST-tagged CK2alpha by Lineweaver-Burk plot analysis
50009592	19	ChEMBL_1911751 (CHEMBL4414197)	Inhibition of human recombinant DyrK1a by fluorescence-based immunoassay
50009592	20	ChEMBL_1911753 (CHEMBL4414199)	Inhibition of CK2alpha (unknown origin) using RRRADDSDDDD substrate incubated for 40 mins by ADP-Glo kinase assay
50009595	1	ChEMBL_1911762 (CHEMBL4414208)	Mixed-type inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by Lineweaver-Burk plot analysis
50009595	2	ChEMBL_1911817 (CHEMBL4414263)	Inhibition of recombinant human GST-tagged CK2alpha K77A mutant in presence of ATP by radiometric kinase assay
50009595	3	ChEMBL_1911828 (CHEMBL4414274)	Inhibition of recombinant human CLK2 in presence of ATP by radiometric filter-binding assay
50009595	4	ChEMBL_1911759 (CHEMBL4414205)	Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric kinase assay
50009595	5	ChEMBL_1911814 (CHEMBL4414260)	Inhibition of recombinant human GST-tagged CK2alpha V73A mutant in presence of ATP by radiometric kinase assay
50009595	6	ChEMBL_1911832 (CHEMBL4414278)	Inhibition of CK2alpha (unknown origin) incubated for 40 mins by ADP-Glo kinase assay
50009595	7	ChEMBL_1911829 (CHEMBL4414275)	Inhibition of recombinant human DYRK1A in presence of ATP by radiometric filter-binding assay
50009595	8	ChEMBL_1911830 (CHEMBL4414276)	Inhibition of recombinant human DYRK1B in presence of ATP by radiometric filter-binding assay
50009595	9	ChEMBL_1911819 (CHEMBL4414265)	Inhibition of recombinant human GST-tagged CK2alpha H160A mutant in presence of ATP by radiometric kinase assay
50009595	10	ChEMBL_1911827 (CHEMBL4414273)	Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiometric filter-binding assay
50009595	11	ChEMBL_1911815 (CHEMBL4414261)	Inhibition of recombinant human GST-tagged CK2alpha K74A mutant in presence of ATP by radiometric kinase assay
50009597	1	ChEMBL_1911885 (CHEMBL4414331)	Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	2	ChEMBL_1911886 (CHEMBL4414332)	Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	3	ChEMBL_1911887 (CHEMBL4414333)	Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	4	ChEMBL_1911884 (CHEMBL4414330)	Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	5	ChEMBL_1911892 (CHEMBL4414338)	Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	6	ChEMBL_1911903 (CHEMBL4414349)	Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry
50009597	7	ChEMBL_1911894 (CHEMBL4414340)	Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay
50009597	8	ChEMBL_1911944 (CHEMBL4414390)	Agonist activity RARgamma (unknown origin) assessed as induction of receptor transactivation
50009597	9	ChEMBL_1911945 (CHEMBL4414391)	Agonist activity LXRalpha (unknown origin)
50009597	10	ChEMBL_1911902 (CHEMBL4414348)	Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetry
50009597	11	ChEMBL_1911943 (CHEMBL4414389)	Agonist activity RARbeta (unknown origin) assessed as induction of receptor transactivation
50009597	12	ChEMBL_1911946 (CHEMBL4414392)	Agonist activity LXRbeta (unknown origin)
50009597	13	ChEMBL_1911948 (CHEMBL4414394)	Agonist activity at Polyhistidine-tagged human CAR LBD expressed in Escherichia coli by FRET-based assay
50009597	14	ChEMBL_1911941 (CHEMBL4414387)	Agonist activity RXRgamma (unknown origin)
50009597	15	ChEMBL_1911942 (CHEMBL4414388)	Agonist activity RARalpha (unknown origin) assessed as induction of receptor transactivation
50009597	16	ChEMBL_1911938 (CHEMBL4414384)	Agonist activity at GAL4-tagged human PPAR receptor
50009597	17	ChEMBL_1911939 (CHEMBL4414385)	Agonist activity RXRalpha (unknown origin)
50009597	18	ChEMBL_1911940 (CHEMBL4414386)	Agonist activity RXRbeta (unknown origin)
50009597	19	ChEMBL_1911947 (CHEMBL4414393)	Agonist activity FXR (unknown origin)
50009598	1	ChEMBL_1911965 (CHEMBL4414411)	Inhibition of Staphylococcus aureus SrtA using dabcyl-QALPETGEE-edans as substrate preincubated for 1 hr followed by substrate addition and measured at 1 min interval for 1 hr by fluorescence assay
50009599	1	ChEMBL_1911977 (CHEMBL4414423)	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting method
50009599	2	ChEMBL_1911970 (CHEMBL4414416)	Displacement of NO711 from mouse GAT1 expressed in stable HEK293 cell membranes preincubated for 10 mins followed by NO711 addition and measured after 40 mins by LC-ESI-MS/MS analysis
50009599	3	ChEMBL_1911973 (CHEMBL4414419)	Inhibition of mouse GAT2 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 10 mins by microbeta liquid scintillation counting method
50009599	4	ChEMBL_1911975 (CHEMBL4414421)	Inhibition of mouse GAT3 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting method
50009599	5	ChEMBL_1911971 (CHEMBL4414417)	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA addition and measured after 4 mins by microbeta liquid scintillation counting method
50009600	1	ChEMBL_1912043 (CHEMBL4414489)	Inhibition of human erythrocyte CuZn-SOD by UV-Visible spectrophotometric method
50009601	1	ChEMBL_1912162 (CHEMBL4414745)	Inhibition of 5-LO in human PMNL cells assessed as reduction in leukotriene formation preincubated for 5 mins followed by thapsigargin stimulation measured after 15 mins by RP-HPLC analysis
50009602	1	ChEMBL_1912204 (CHEMBL4414787)	Inhibition of JAK1 JH1 domain (unknown origin)
50009602	2	ChEMBL_1912206 (CHEMBL4414789)	Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luciferase assay
50009602	3	ChEMBL_1912205 (CHEMBL4414788)	Inhibition of JAK2 JH1 domain (unknown origin)
50009602	4	ChEMBL_1912202 (CHEMBL4414785)	Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mins by HTRF assay
50009602	5	ChEMBL_1912203 (CHEMBL4414786)	Inhibition of TYK2 JH1 domain (unknown origin)
50009602	7	ChEMBL_1912207 (CHEMBL4414790)	Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay
50009602	9	ChEMBL_1912210 (CHEMBL4414793)	Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by IFNalpha stimulation and measured after 15 mins by fluorescence assay
50009602	10	ChEMBL_1912217 (CHEMBL4414800)	Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by IFNalpha stimulation and measured after 15 mins by fluorescence assay
50009602	11	ChEMBL_1912247 (CHEMBL4414830)	Inhibition of cKIT (unknown origin)
50009602	12	ChEMBL_1912248 (CHEMBL4414831)	Inhibition of human ERG by fluorescence polarization assay
50009602	13	ChEMBL_1912211 (CHEMBL4414794)	Inhibition of [3H]cAMP binding to recombinant human His-Tb fused PDE4D2 (86 to 413 residues) expressed in Escherichia coli using [3H]cAMP as substrate preincubated for 10 mins followed by [3H]cAMP addition and measured after 1 hr by scintillation proximity assay
50009602	14	ChEMBL_1912271 (CHEMBL4414854)	Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay
50009602	15	ChEMBL_1912270 (CHEMBL4414853)	Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity assay
50009602	16	ChEMBL_1912277 (CHEMBL4414860)	Inhibition of human ERG by patch clamp assay
50009603	1	ChEMBL_1912312 (CHEMBL4414895)	Inhibition of EGFR (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	2	ChEMBL_1912311 (CHEMBL4414894)	Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	3	ChEMBL_1912336 (CHEMBL4414919)	Inhibition of human BRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	4	ChEMBL_1912341 (CHEMBL4414924)	Inhibition of human TXK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	5	ChEMBL_1912332 (CHEMBL4414915)	Inhibition of TEC (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	6	ChEMBL_1912309 (CHEMBL4414892)	Inhibition of recombinant BTK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	7	ChEMBL_1912310 (CHEMBL4414893)	Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate or Na3VO4 stimulation for 20 mins by HTRF assay
50009603	8	ChEMBL_1912354 (CHEMBL4414937)	Inhibition of EGFR in human A431 cells assessed as reduction in EGFR phosphorylation at Tyr1068 residues preincubated for 1 hr followed by human EGF stimulation and measured after 10 mins by HTRF assay
50009603	9	ChEMBL_1912368 (CHEMBL4414951)	Inhibition of CYP3A4 in human liver microsomes at 1 uM using midazolam as substrate by LC-MS/MS analysis
50009603	10	ChEMBL_1912356 (CHEMBL4414939)	Inhibition of TEC phosphorylation in HEK293 cells peincubated for 3 hrs followed by pervanadate stimulation and measured after 20 mins by MSD assay
50009603	11	ChEMBL_1912372 (CHEMBL4414955)	Inhibition of CYP2C19 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	12	ChEMBL_1912330 (CHEMBL4414913)	Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	13	ChEMBL_1912334 (CHEMBL4414917)	Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	14	ChEMBL_1912339 (CHEMBL4414922)	Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	15	ChEMBL_1912355 (CHEMBL4414938)	Inhibition of ITK in human Jurkat cells assessed as reduction in PLCgamma1 phosphorylation at Y783 residues preincubated for 2 hrs followed by H2O2 addition and measured after 10 mins by Western blot analysis
50009603	16	ChEMBL_1912369 (CHEMBL4414952)	Inhibition of CYP3A4 in human liver microsomes at 1 uM using testosterone as substrate by LC-MS/MS analysis
50009603	17	ChEMBL_1912371 (CHEMBL4414954)	Inhibition of CYP2C8 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	18	ChEMBL_1912374 (CHEMBL4414957)	Inhibition of CYP2B6 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	19	ChEMBL_1912375 (CHEMBL4414958)	Inhibition of CYP2D6 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	20	ChEMBL_1912331 (CHEMBL4414914)	Inhibition of ITK (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	21	ChEMBL_1912308 (CHEMBL4414891)	Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	22	ChEMBL_1912335 (CHEMBL4414918)	Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	23	ChEMBL_1912337 (CHEMBL4414920)	Inhibition of human HER4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	24	ChEMBL_1912340 (CHEMBL4414923)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009603	25	ChEMBL_1912333 (CHEMBL4414916)	Inhibition of HER2 (unknown origin) preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay
50009603	26	ChEMBL_1912370 (CHEMBL4414953)	Inhibition of CYP2C9 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	27	ChEMBL_1912373 (CHEMBL4414956)	Inhibition of CYP1A2 in human liver microsomes at 1 uM by LC-MS/MS analysis
50009603	28	ChEMBL_1912338 (CHEMBL4414921)	Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method
50009604	1	ChEMBL_1912518 (CHEMBL4415101)	Binding affinity to CD47 in biotinylated human MEC1 cell membranes by biolayer interferometry
50009606	1	ChEMBL_1912567 (CHEMBL4415150)	Inhibition of TSPO (unknown origin)
50009606	2	ChEMBL_1912577 (CHEMBL4415160)	Inhibition of human A1 receptor
50009606	3	ChEMBL_1912582 (CHEMBL4415165)	Inhibition of GSK3 (unknown origin)
50009606	4	ChEMBL_1912575 (CHEMBL4415158)	Agonist activity at dopamine D4 receptor (unknown origin)
50009606	5	ChEMBL_1912570 (CHEMBL4415153)	Inhibition of Guinea Pig Ileum H3R
50009606	6	ChEMBL_1912585 (CHEMBL4415168)	Inhibition of CLK1 (unknown origin) by TR-FRET assay
50009606	7	ChEMBL_1912586 (CHEMBL4415169)	Antagonist activity at human OX1R expressed in CHOK1 cells by Syto62 probe based fluorescence assay
50009606	8	ChEMBL_1912576 (CHEMBL4415159)	Inhibition of GFP-tagged human A2A adenosine receptor expressed in HEK cells by FRET-binding assay
50009606	9	ChEMBL_1912587 (CHEMBL4415170)	Antagonist activity at human OX2R expressed in CHOK1 cells by Syto62 probe based fluorescence assay
50009606	10	ChEMBL_1912565 (CHEMBL4415148)	Inhibition of GABAA receptor alpha1 (unknown origin)
50009606	11	ChEMBL_1912569 (CHEMBL4415152)	Inhibition of H3R (unknown origin)
50009606	12	ChEMBL_1912571 (CHEMBL4415154)	Modulator activity at 5-HT2A receptor (unknown origin)
50009606	13	ChEMBL_1912572 (CHEMBL4415155)	Antagonist activity at 5-HT3 receptor (unknown origin)
50009606	14	ChEMBL_1912573 (CHEMBL4415156)	Antagonist activity at 5-HT4 receptor (unknown origin)
50009606	15	ChEMBL_1912574 (CHEMBL4415157)	Agonist activity at 5-HT4 receptor (unknown origin)
50009606	16	ChEMBL_1912562 (CHEMBL4415145)	Inhibition of FLAG-tagged human PDE4B2 expressed in Escherichia coli cells after 20 mins in presence of [3H]-cAMP by top count analysis
50009606	17	ChEMBL_1912561 (CHEMBL4415144)	Inhibition of human PDE10
50009606	18	ChEMBL_1912580 (CHEMBL4415163)	Inhibition of 5-HT4 receptor (unknown origin)
50009606	19	ChEMBL_1912583 (CHEMBL4415166)	Inhibition of DYRK1A (unknown origin) by TR-FRET assay
50009606	20	ChEMBL_1912584 (CHEMBL4415167)	Inhibition of DYRK1A (unknown origin) by ADP assay
50009606	21	ChEMBL_1912590 (CHEMBL4415173)	Inhibition of FAAH (unknown origin)
50009606	22	ChEMBL_1912591 (CHEMBL4415174)	Modulator activity at NMDA receptor (unknown origin)
50009606	23	ChEMBL_1912592 (CHEMBL4415175)	Inhibition of GlyT1 (unknown origin)
50009606	24	ChEMBL_1912578 (CHEMBL4415161)	Inhibition of GFP-tagged human A2 receptor expressed in HEK cells by FRET-binding assay
50009606	25	ChEMBL_1912566 (CHEMBL4415149)	Inhibition of GABAA receptor alpha3 (unknown origin)
50009607	1	ChEMBL_1912593 (CHEMBL4415176)	Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response preincubated for 2 hrs followed by SAG addition and measured after 24 hrs by Bright-Glo luciferase assay
50009607	2	ChEMBL_1912594 (CHEMBL4415177)	Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis
50009609	1	ChEMBL_1912623 (CHEMBL4415206)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by Ellman's method
50009611	1	ChEMBL_1912627 (CHEMBL4415210)	Inhibition of recombinant TDP1 (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fluorescence based assay
50009611	2	ChEMBL_1912630 (CHEMBL4415213)	Inhibition of recombinant TDP1 H493R mutant (unknown origin) using 5'-(5,6 FAM-aac gtc agg gtc ttc c-BHQ1)-3' as substrate measured every 55 secs for 8 mins by fluorescence based assay
50009612	1	ChEMBL_1912674 (CHEMBL4415257)	Inhibition of electric eel AChE incubated for 15 mins by Ellman's method
50009613	1	ChEMBL_1912691 (CHEMBL4415274)	Inhibition of phosphatase activity of full length mouse soluble epoxide hydrolase pre-incubated for 30 mins before FDP substrate addition by fluorescence based assay
50009613	2	ChEMBL_1912688 (CHEMBL4415271)	Inhibition of hydrolase activity of full length human soluble epoxide hydrolase pre-incubated for 30 mins before PHOME substrate addition by fluorescence based assay
50009613	3	ChEMBL_1912680 (CHEMBL4415263)	Inhibition of COX2 in LPS-stimulated human monocytes assessed as reduction in PGE2 production by LC-tandem MIS analysis
50009613	4	ChEMBL_1912689 (CHEMBL4415272)	Inhibition of phosphatase activity of full length human soluble epoxide hydrolase pre-incubated for 30 mins before FDP substrate addition by fluorescence based assay
50009613	5	ChEMBL_1912695 (CHEMBL4415278)	Competitive inhibition of full length human soluble epoxide hydrolase pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence based assay
50009613	6	ChEMBL_1912697 (CHEMBL4415280)	Inhibition of hexa-His-tagged human soluble epoxide hydrolase C-terminal hydrolase domain expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before DiFMUP substrate addition by fluorescence based assay
50009613	7	ChEMBL_1912679 (CHEMBL4415262)	Inhibition of COX1 in A23187-stimulated human platelets assessed as reduction in TXA2 production
50009613	8	ChEMBL_1912690 (CHEMBL4415273)	Inhibition of hydrolase activity of full length mouse soluble epoxide hydrolase pre-incubated for 30 mins before PHOME substrate addition by fluorescence based assay
50009613	9	ChEMBL_1912692 (CHEMBL4415275)	Inhibition of hydrolase activity of full length rat soluble epoxide hydrolase pre-incubated for 30 mins before PHOME substrate addition by fluorescence based assay
50009613	10	ChEMBL_1912693 (CHEMBL4415276)	Inhibition of phosphatase activity of full length rat soluble epoxide hydrolase pre-incubated for 30 mins before FDP substrate addition by fluorescence based assay
50009614	1	ChEMBL_1912830 (CHEMBL4415413)	Inhibition of recombinant human 5-lipoxygenase using arachidonic acid as substrate preincubated for 10 mins followed by susbtrate addition and measured after 10 mins by reverse phase HPLC method
50009614	2	ChEMBL_1912832 (CHEMBL4415415)	Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 (DE3) cells using arachidonic acid as substrate preincubated for 10 mins followed by susbtrate addition and measured after 10 mins by reverse phase HPLC method
50009618	1	ChEMBL_1912834 (CHEMBL4415417)	Inhibition of recombinant human TCPTP expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50009618	2	ChEMBL_1912833 (CHEMBL4415416)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50009618	3	ChEMBL_1912835 (CHEMBL4415418)	Inhibition of recombinant human PTPsigma expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50009619	1	ChEMBL_1912868 (CHEMBL4415451)	Agonist activity at human RXRalpha LBD expressed in African green monkey COS1 cells incubated for 24 hrs by luciferase reporter gene assay
50009619	2	ChEMBL_1912869 (CHEMBL4415452)	Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method
50009619	3	ChEMBL_1912872 (CHEMBL4415455)	Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay
50009619	4	ChEMBL_1912871 (CHEMBL4415454)	Binding affinity to human RXRalpha LBD incubated for 2 hrs by fluorescence based assay
50009628	1	ChEMBL_1912898 (CHEMBL4415481)	Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells incubated for 4 hrs in dark condition by fluorescence anisotropy binding assay
50009628	2	ChEMBL_1912940 (CHEMBL4415523)	Binding affinity to His6-tagged human BRD4 bromodomain 1 expressed in Escherichia coli BL21(DE3) )-codon plus-RIL cells by isothermal titration calorimetric method
50009629	1	ChEMBL_1913059 (CHEMBL4415642)	Inhibition of ATP synthase in Mycobacterium tuberculosis H37Rv
50009630	1	ChEMBL_1913236 (CHEMBL4415819)	Inhibition of full-length human IDO1 expressed in Escherichia coli Rosetta (DE3) using L-Trp substrate by HPLC analysis
50009630	2	ChEMBL_1913234 (CHEMBL4415817)	Inhibition of purified human recombinant IDO1 expressed in Escherichia coli assessed as reduction in kynurenine production incubated up to 90 mins using L-Trp substrate by Ehrlich's reagent based spectrophotometry
50009630	3	ChEMBL_1913238 (CHEMBL4415821)	Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs
50009630	5	ChEMBL_1913235 (CHEMBL4415818)	Inhibition of IDO1 in IFNgamma-induced human HeLa cells incubated for 5 hrs by Ehrlich's reagent based assay
50009630	6	ChEMBL_1913232 (CHEMBL4415815)	Inhibition of IDO1 (unknown origin) by enzymatic assay
50009631	1	ChEMBL_1913280 (CHEMBL4415863)	Inhibition of recombinant human full length Nav1.7 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential by whole cell patch clamp assay
50009631	2	ChEMBL_1913283 (CHEMBL4415866)	Agonist activity at PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay
50009631	3	ChEMBL_1913275 (CHEMBL4415858)	Inhibition of recombinant human full length Nav1.5 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -60 mV holding potential by whole cell patch clamp assay
50009631	4	ChEMBL_1913271 (CHEMBL4415854)	Inhibition of recombinant human full length Nav1.6 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential by whole cell patch clamp assay
50009631	5	ChEMBL_1913292 (CHEMBL4415875)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50009631	6	ChEMBL_1913289 (CHEMBL4415872)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50009631	7	ChEMBL_1913290 (CHEMBL4415873)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50009631	8	ChEMBL_1913272 (CHEMBL4415855)	Inhibition of recombinant human full length Nav1.1 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential by whole cell patch clamp assay
50009631	9	ChEMBL_1913293 (CHEMBL4415876)	Inhibition of human ERG expressed in HEK293 cells by IonWorks barracuda patch clamp method
50009631	10	ChEMBL_1913279 (CHEMBL4415862)	Inhibition of recombinant human full length Nav1.2 co-expressed with human SCN1B in HEK293 cells measured after 20 mins at -45 mV holding potential by whole cell patch clamp assay
50009631	11	ChEMBL_1913288 (CHEMBL4415871)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50009631	12	ChEMBL_1913291 (CHEMBL4415874)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50009636	1	ChEMBL_1913348 (CHEMBL4415931)	Displacement of [125I] DOI from 5HT2A receptor (unknown origin)
50009636	2	ChEMBL_1913342 (CHEMBL4415925)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50009636	3	ChEMBL_1913349 (CHEMBL4415932)	Displacement of [125I] DOI from 5HT2C receptor (unknown origin)
50009636	4	ChEMBL_1913344 (CHEMBL4415927)	Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-induced mitogenesis
50009636	5	ChEMBL_1913347 (CHEMBL4415930)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)
50009636	6	ChEMBL_1913341 (CHEMBL4415924)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50009636	7	ChEMBL_1913346 (CHEMBL4415929)	Antagonist activity at human D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-induced mitogenesis
50009636	8	ChEMBL_1913350 (CHEMBL4415933)	Agonist activity at 5-HT1A receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS binding
50009637	1	ChEMBL_1913364 (CHEMBL4415947)	Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins
50009637	2	ChEMBL_1913366 (CHEMBL4415949)	Inhibition of SHP1 (unknown origin)
50009637	3	ChEMBL_1913365 (CHEMBL4415948)	Inhibition of ACL (unknown origin)
50009638	1	ChEMBL_1913373 (CHEMBL4415956)	Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-1 dye uptake assay
50009638	2	ChEMBL_1913379 (CHEMBL4415962)	Antagonist activity at human P2X7R transfected in HEK293 cells
50009638	3	ChEMBL_1913378 (CHEMBL4415961)	Antagonist activity at human P2X4R transfected in HEK293 cells
50009638	4	ChEMBL_1913372 (CHEMBL4415955)	Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2AM assay
50009638	5	ChEMBL_1913376 (CHEMBL4415959)	Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-evoked current by patch clamp assay
50009638	6	ChEMBL_1913377 (CHEMBL4415960)	Antagonist activity at human P2X4R transfected in 1321N1 cells
50009638	7	ChEMBL_1913374 (CHEMBL4415957)	Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-1 dye uptake assay
50009641	1	ChEMBL_1913443 (CHEMBL4416026)	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009641	2	ChEMBL_1913448 (CHEMBL4416031)	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009641	3	ChEMBL_1913444 (CHEMBL4416027)	Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs without 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009641	4	ChEMBL_1913450 (CHEMBL4416033)	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP2-BIR3 (244 to 349 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009641	5	ChEMBL_1913449 (CHEMBL4416032)	Inhibition of N-terminal 6x-His-tagged recombinant human cIAP1-BIR3 (258 to 363 residues) expressed in Escherichia coli incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009641	6	ChEMBL_1913445 (CHEMBL4416028)	Inhibition of N-terminal His-tagged human XIAP-BIR3 (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS incubated for 2 hrs after 6 hrs pre-incubation with enzyme by biotinylated AVPI peptide based DELFIA
50009642	1	ChEMBL_1913501 (CHEMBL4416084)	Displacement of [3H]ZM241385 from human recombinant A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by radioligand binding competition assay
50009642	2	ChEMBL_1913506 (CHEMBL4416089)	Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding competition assay
50009642	3	ChEMBL_1913508 (CHEMBL4416091)	Displacement of [3H]NECA from human A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by radioligand binding competition assay
50009642	4	ChEMBL_1913504 (CHEMBL4416087)	Displacement of [3H]DPCPX from human recombinant A1 receptor expressed in CHOA1 cell membranes incubated for 60 mins by radioligand binding competition assay
50009642	5	ChEMBL_1913503 (CHEMBL4416086)	Binding affinity to human recombinant A2B receptor expressed in HEK293 cell membranes
50009644	1	ChEMBL_1913515 (CHEMBL4416098)	Inhibition of human 20S proteasome subunit beta-5i using Ac-ANW-AMC as substrate and measured every 30 secs for 30 mins by microtiter plate assay
50009644	2	ChEMBL_1913516 (CHEMBL4416099)	Inhibition of human 20S proteasome beta-5c subunit using Suc-LLVY-AMC as substrate and measured every 30 secs for 30 mins by microtiter plate assay
50009645	1	ChEMBL_1913523 (CHEMBL4416106)	Inhibition of GST-tagged human EGFR kinase domain I858R/T790M mutant (696 to 1022 residues) using EGFR L858R/T790M substrate peptide incubated for 120 mins by kinase-Glo plus luminescent kinase assay
50009645	2	ChEMBL_1913522 (CHEMBL4416105)	Inhibition of GST-tagged human EGFR kinase domain (696 to 1022 residues) using poly(Glu, Tyr) 4:1 substrate incubated for 60 mins by kinase-Glo plus luminescent kinase assay
50009645	3	ChEMBL_1913528 (CHEMBL4416111)	Inhibition of GST-tagged human EGFR D770_N771insNPG mutant using poly(Glu, Tyr) 4:1 substrate incubated for 120 mins by kinase-Glo plus luminescent kinase assay
50009645	4	ChEMBL_1913526 (CHEMBL4416109)	Inhibition of GST-tagged human EGFR A763_Y764insFHEA mutant using poly(Glu, Tyr) 4:1 substrate incubated for 120 mins by kinase-Glo plus luminescent kinase assay
50009646	1	ChEMBL_1913623 (CHEMBL4416206)	Binding affinity to CK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay
50009646	2	ChEMBL_1913618 (CHEMBL4416201)	Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kinobeads based pull down assay
50009646	3	ChEMBL_1913600 (CHEMBL4416183)	Antagonist activity at human beta2 adrenoceptor
50009646	4	ChEMBL_1913587 (CHEMBL4416170)	Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRRNSI-NH2 as substrate preincubated for 30 mins followed by ATP addition and measured after 30 mins by microfluidic mobility shift assay
50009646	5	ChEMBL_1913590 (CHEMBL4416173)	Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay
50009646	6	ChEMBL_1913603 (CHEMBL4416186)	Agonist activity at human aryl hydrocarbon receptor
50009646	7	ChEMBL_1913619 (CHEMBL4416202)	Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay
50009646	8	ChEMBL_1913598 (CHEMBL4416181)	Inhibition of human MAO-A
50009646	9	ChEMBL_1913602 (CHEMBL4416185)	Inhibition of human KCNQ1/KCNE1
50009646	10	ChEMBL_1913604 (CHEMBL4416187)	Inhibition of OATP1B1 (unknown origin)
50009646	11	ChEMBL_1913606 (CHEMBL4416189)	Inhibition of PDE3A (unknown origin)
50009646	12	ChEMBL_1913607 (CHEMBL4416190)	Inhibition of human L-type CaV1.2
50009646	13	ChEMBL_1913617 (CHEMBL4416200)	Binding affinity to CDPK4 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr by kinobeads based pull down assay
50009646	14	ChEMBL_1913620 (CHEMBL4416203)	Binding affinity to CDPK1 in Plasmodium falciparum 3D7 blood stage extract incubated for 1 hr in presence of ATP-competitive kinase inhibitor by kinobeads based pull down assay
50009646	15	ChEMBL_1913601 (CHEMBL4416184)	Agonist activity at human PXR
50009646	16	ChEMBL_1913605 (CHEMBL4416188)	Inhibition of AChE (unknown origin)
50009646	17	ChEMBL_1913599 (CHEMBL4416182)	Agonist activity at human beta2 adrenoceptor
50009647	1	ChEMBL_1913632 (CHEMBL4416215)	Inhibition of human HMGR using HMGCoA as substrate measured after 15 mins in presence of NADPH by UV microplate reader analysis
50009648	1	ChEMBL_1913690 (CHEMBL4416273)	Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay
50009648	2	ChEMBL_1913693 (CHEMBL4416276)	Binding affinity to SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay
50009649	1	ChEMBL_1913709 (CHEMBL4416292)	Inhibition of bacterial wild type Beta-lactamase TEM-1 pre-incubated for 5 mins before addition of chromogenic beta-lactamase substrate CENTA by spectrophotometry
50009652	1	ChEMBL_1913750 (CHEMBL4416333)	Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium level using quinoline as substrate in presence of SAM and measured every 27 seconds for 5.5 mins by fluorescence-based assay
50009652	2	ChEMBL_1913770 (CHEMBL4416353)	Inhibition of human SETDB1 expressed in sf9 insect cells assessed as reduction in methylated histone H3 full length level using histone H3 full length as substrate in presence of [3H] SAM incubated for 30 mins by scintillation counting
50009652	3	ChEMBL_1913771 (CHEMBL4416354)	Inhibition of human G9a expressed in Escherichia coli assessed as reduction in methylated histone H3 full length using histone H3 full length level as substrate in presence of [3H] SAM incubated for 120 mins by scintillation counting
50009652	4	ChEMBL_1913765 (CHEMBL4416348)	Inhibition of human DNMT3a expressed in insect sf9 cells assessed as reduction in methylated poly(dI-dC)-Poly(dI-dC) level using poly(dI-dC)-poly(dI-dC) as substrate in presence of [3H] SAM incubated for 10 mins by scintillation counting
50009652	5	ChEMBL_1913769 (CHEMBL4416352)	Inhibition of human EHMT1 expressed in Escherichia coli assessed as reduction in methylated histone H3 full length using histone H3 full length as substrate in presence of [3H] SAM incubated for 120 mins by scintillation counting
50009652	6	ChEMBL_1913773 (CHEMBL4416356)	Inhibition of wild type human INMT expressed in Escherichia coli using tryptamine as substrate in presence of SAM incubated for 30 mins by MTase-Glo assay
50009652	7	ChEMBL_1913766 (CHEMBL4416349)	Inhibition of human PRMT1 expressed in Escherichia coli assessed as reduction in methylated histone H4 full length level using histone H4 full length as substrate in presence of [3H] SAM incubated for 20 mins by scintillation counting
50009652	8	ChEMBL_1913768 (CHEMBL4416351)	Inhibition of human DOT1L expressed in Escherichia coli assessed as reduction in methylated polynucleosome level using polynucleosome as substrate in presence of [3H] SAM incubated for 15 mins by scintillation counting
50009652	9	ChEMBL_1913772 (CHEMBL4416355)	Inhibition of human TPMT expressed in Escherichia coli assessed as reduction in SAH level using 6-mercaptopurine as substrate in presence of SAM incubated for 30 mins by LC-MS/MS analysis
50009652	10	ChEMBL_1913767 (CHEMBL4416350)	Inhibition of human ASH1L expressed in Escherichia coli assessed as reduction in methylated polynucleosome level using polynucleosome as substrate in presence of [3H] SAM incubated for 15 mins by scintillation counting
50009656	1	ChEMBL_1913792 (CHEMBL4416375)	Allosteric modulator activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding incubated for 60 mins by scintillation counting method
50009656	2	ChEMBL_1913791 (CHEMBL4416374)	Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940-induced calcium mobilization pre-incubated for 15 mins by Calcium 5 dye based FLIPR assay
50009656	3	ChEMBL_1913793 (CHEMBL4416376)	Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 100 nM CP55,940-induced [35S]GTPgammaS binding incubated for 60 mins by scintillation counting method
50009656	4	ChEMBL_1913787 (CHEMBL4416370)	Allosteric antagonist activity at human CB1 receptor by Ca2+ assay
50009656	5	ChEMBL_1913786 (CHEMBL4416369)	Antagonist activity at human CB2 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of EC80 CP55,940-induced calcium mobilization preincubated for 15 mins followed by CP55,490 addition measured at 1 sec interval for 90 secs by calcium-5 dye based FLIPR assay
50009656	6	ChEMBL_1913803 (CHEMBL4416386)	Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding incubated for 60 mins by scintillation counting method
50009656	7	ChEMBL_1913799 (CHEMBL4416382)	Allosteric modulator activity at human CB1 receptor expressed in HEK293 cells assessed as suppression of 100 nM CP55,940-induced reduction in forskolin-stimulated cAMP production pre-incubated for 25 mins before forskolin and CP55,940 addition and measured after 22 mins by BRET CAMYEL cAMP assay
50009656	8	ChEMBL_1913788 (CHEMBL4416371)	Displacement of [3H]CP55,940 from human CB1 receptor
50009656	9	ChEMBL_1913789 (CHEMBL4416372)	Allosteric antagonist activity at mouse CB1 receptor by GTPgammaS assay
50009656	10	ChEMBL_1913800 (CHEMBL4416383)	Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 mins by scintillation counting method
50009657	1	ChEMBL_1913890 (CHEMBL4416473)	Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured after 3 to 20 hrs by HTRF assay
50009657	2	ChEMBL_1913891 (CHEMBL4416474)	Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate measured after 3 to 20 hrs by HTRF assay
50009657	3	ChEMBL_1913892 (CHEMBL4416475)	Inhibition of recombinant human GST-tagged JAK1 (866 to 1154 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate measured after 3 to 20 hrs by HTRF assay
50009657	4	ChEMBL_1913894 (CHEMBL4416477)	Inhibition of JAK1/3 in human Ramos cells harboring beta-lactamase reporter gene assessed as reduction in IL4-induced STAT6 phosphorylation incubated for 2 hrs by FRET assay
50009657	5	ChEMBL_1913948 (CHEMBL4416531)	Inhibition of JAK2 in human PBMC assessed as reduction in GM-CSF induced STAT5 phosphorylation preincubated for 30 mins followed by GM-CSF stimulation and measured after 30 mins by Alexa 488-antibody-based FACS analysis
50009657	6	ChEMBL_1913909 (CHEMBL4416492)	Inhibition of recombinant human N-terminal GST-tagged TYK2 (871 to 1187 residues) expressed in baculovirus expression system using PolyGT-Biotin as substrate measured after 3 to 20 hrs by HTRF assay
50009658	1	ChEMBL_1913963 (CHEMBL4416546)	Inhibition of human FAAH expressed in baculovirus infected Sf9 cells using N-(6-methoxypyridin-3-yl)octanamide as substrate measured for 15 mins by fluorescence based assay
50009659	1	ChEMBL_1913971 (CHEMBL4416554)	Inhibition of N-terminal GST tagged recombinant human PTP1B catalytic domain (1 to 321 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured every 5 mins for 30 mins
50009659	2	ChEMBL_1913972 (CHEMBL4416555)	Competitive inhibition of N-terminal GST-tagged recombinant human PTP1B catalytic domain (1 to 321 residues) expressed in Escherichia coli assessed as inhibitory constant using pNPP as substrate preincubated for 10 mins followed by incubation with substrate for 30 mins and measured every 5 mins for 30 mins by Lineweaver-burk plot based Dixon plot analysis
50009660	1	ChEMBL_1913985 (CHEMBL4416568)	Agonist activity at beta2 adrenergic receptor in guinea pig tracheal smooth muscle assessed as inhibition of histamine-induced tracheal smooth muscle contraction by measuring spasmolysis preincubated for 15 mins in presence of beta adrenergic receptor antagonist propranolol followed by histamine addition
50009660	2	ChEMBL_1913981 (CHEMBL4416564)	Agonist activity at human beta2 adrenergic receptor expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium influx by measuring fluorescence intensity by FLIPR assay
50009660	3	ChEMBL_1913980 (CHEMBL4416563)	Agonist activity at human alpha1 beta adrenergic receptor expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium influx by measuring fluorescence intensity by FLIPR assay
50009660	4	ChEMBL_1913979 (CHEMBL4416562)	Agonist activity at human beta1 adrenergic receptor expressed in CHOK1 cells co-expressing Galpha15 assessed as increase in calcium influx by measuring fluorescence intensity by FLIPR assay
50009661	1	ChEMBL_1914026 (CHEMBL4416609)	Inhibition of NLRP3 in mouse peritoneal macrophages assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5 hrs before compound addition with ATP for 30 mins by ELISA
50009661	2	ChEMBL_1914025 (CHEMBL4416608)	Inhibition of NLRP3 in mouse J774A.1 cells assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5 hrs before compound addition with ATP for 30 mins by ELISA
50009663	1	ChEMBL_1914053 (CHEMBL4416636)	Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leuconostoc mesenteroides hexokinase/glucose 6-Phosphate dehydrogenase coupled UV-visible spectrophotometry
50009663	2	ChEMBL_1914051 (CHEMBL4416634)	Inhibition of C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leuconostoc mesenteroides hexokinase/glucose 6-Phosphate dehydrogenase coupled UV-visible spectrophotometry
50009663	3	ChEMBL_1914052 (CHEMBL4416635)	Inhibition of C-terminal His10-tagged Staphylococcus aureus seg50 SerRS expressed in Lemo21(DE3) using Ap4A as substrate in presence of serine by leuconostoc mesenteroides hexokinase/glucose 6-Phosphate dehydrogenase coupled UV-visible spectrophotometry
50009663	4	ChEMBL_1914056 (CHEMBL4416639)	Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isothermal titration calorimetry
50009663	5	ChEMBL_1914061 (CHEMBL4416644)	Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for first binding site by isothermal titration calorimetry
50009663	6	ChEMBL_1914062 (CHEMBL4416645)	Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for second binding site by isothermal titration calorimetry
50009666	1	ChEMBL_1914083 (CHEMBL4416666)	Inhibition of human recombinant MLL1 using [3H]S-adenosyl-methionine as substrate
50009667	1	ChEMBL_1914104 (CHEMBL4416687)	Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50009667	2	ChEMBL_1914102 (CHEMBL4416685)	Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50009667	3	ChEMBL_1914101 (CHEMBL4416684)	Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50009667	4	ChEMBL_1914103 (CHEMBL4416686)	Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50009668	1	ChEMBL_1914153 (CHEMBL4416736)	Binding affinity to N-terminal Avitag-fused His6-tagged USP5 ZnF-UBD (unknown origin) (171 to 290 residues) labelled with 5-fluorotryptophan expressed in BL21 (DE3) Codon Plus RIL Escherichia coli incubated for 35 to 60 secs by SPR analysis
50009668	2	ChEMBL_1914154 (CHEMBL4416737)	Binding affinity to full length N-terminal Avitag-fused His6-tagged USP5 (unknown origin) (1 to 835 residues) labelled with 5-fluorotryptophan expressed in BL21 (DE3) Codon Plus RIL Escherichia coli incubated for 35 to 60 secs by SPR analysis
50009669	1	ChEMBL_1914191 (CHEMBL4416774)	Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presence of PNU-120596 by FRET assay
50009669	2	ChEMBL_1914194 (CHEMBL4416777)	Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by two electrode voltage clamp assay relative Ach
50009669	3	ChEMBL_1914195 (CHEMBL4416778)	Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential by two electrode voltage clamp assay
50009669	4	ChEMBL_1914188 (CHEMBL4416771)	Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins by FRET assay
50009671	1	ChEMBL_1914276 (CHEMBL4416859)	Inhibition of capsid in HBV infected in human HepG.2.2.15 cells assessed as reduction of HBV DNA incubated for 5 days by quantitative PCR analysis
50009673	1	ChEMBL_1914332 (CHEMBL4416915)	Inhibition of human CYP2B6 by fluorescence method
50009673	2	ChEMBL_1914334 (CHEMBL4416917)	Inhibition of human CYP2C9 by fluorescence method
50009673	3	ChEMBL_1914336 (CHEMBL4416919)	Inhibition of human CYP2D6 by fluorescence method
50009673	4	ChEMBL_1914335 (CHEMBL4416918)	Inhibition of human CYP2C19 by fluorescence method
50009673	5	ChEMBL_1914331 (CHEMBL4416914)	Inhibition of human CYP1A2 by fluorescence method
50009673	6	ChEMBL_1914333 (CHEMBL4416916)	Inhibition of human CYP2C8 by fluorescence method
50009673	7	ChEMBL_1914337 (CHEMBL4416920)	Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method
50009674	1	ChEMBL_1914371 (CHEMBL4416954)	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489) expressed in baculovirus infected sf9 insect cells pretreated with compound followed by Fluor de Lys deacetylase substrate addition by fluorescence method
50009674	2	ChEMBL_1914364 (CHEMBL4416947)	Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound followed by Fluor de Lys deacetylase substrate addition by fluorescence method
50009674	3	ChEMBL_1914413 (CHEMBL4416996)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50009675	1	ChEMBL_1914434 (CHEMBL4417017)	Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay
50009675	2	ChEMBL_1914435 (CHEMBL4417018)	Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay
50009675	3	ChEMBL_1914433 (CHEMBL4417016)	Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell expression system using poly-EY as substrate incubated for 30 mins by ADP-Glo kinase assay
50009676	1	ChEMBL_1914441 (CHEMBL4417024)	Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia coli BL21(DE3) shaken for 2 mins and incubated for 60 mins by fluorescence polarization assay
50009677	1	ChEMBL_1914455 (CHEMBL4417038)	Inhibition of recombinant human N-terminal His-tagged MetAP2 (2 to 478 residues) using Met-Ala-Ser as substrate and MnCl2 as co-facor preincubated for 15 mins followed by substrate addition and measured after 45 mins by AAO/horse radish peroxidase enzyme coupled assay
50009677	2	ChEMBL_1914456 (CHEMBL4417039)	Inhibition of MetAP2 in HUVEC assessed as reduction in viability incubated for 3 days by CyQUANT Direct Cell proliferation assay
50009677	3	ChEMBL_1914457 (CHEMBL4417040)	Inhibition of N-terminal MetAP1 (unknown origin)
50009677	4	ChEMBL_1914459 (CHEMBL4417042)	Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 binding to recombinant full length N-terminal GFP-fused MetAP2 (unknown origin) expressed in HEK293 cells by FCCS analysis
50009677	5	ChEMBL_1914458 (CHEMBL4417041)	Inhibition of 5-[(S)-3-(3-Chloro-5-fluoro-benzylcarbamoyl)-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxylic Acid (3-Amino-propyl)-amide-Dy647 binding to recombinant full length N-terminal GFP-fused MetAP2 (unknown origin) expressed in HEK293 cells by Cheng-Prusoff equation analysis
50009678	1	ChEMBL_1914498 (CHEMBL4417081)	Covalent inhibition of HSP72-NBD (unknown origin) after 0.083 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	2	ChEMBL_1914502 (CHEMBL4417085)	Covalent inhibition of HSP72-NBD (unknown origin) after 2 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	3	ChEMBL_1914504 (CHEMBL4417087)	Covalent inhibition of HSP72-NBD (unknown origin) after 1 hr nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	4	ChEMBL_1914513 (CHEMBL4417096)	Covalent inhibition of HSP72-NBD (unknown origin) assessed as initial inhibition constant nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	5	ChEMBL_1914501 (CHEMBL4417084)	Covalent inhibition of HSP72-NBD (unknown origin) nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	6	ChEMBL_1914499 (CHEMBL4417082)	Covalent inhibition of HSP72-NBD (unknown origin) after 19 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	7	ChEMBL_1914503 (CHEMBL4417086)	Covalent inhibition of HSP72-NBD (unknown origin) after 24 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	8	ChEMBL_1914505 (CHEMBL4417088)	Covalent inhibition of HSP72-NBD (unknown origin) after 0.33 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009678	9	ChEMBL_1914500 (CHEMBL4417083)	Covalent inhibition of HSP72-NBD (unknown origin) after 46 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assay
50009681	1	ChEMBL_1914523 (CHEMBL4417106)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged GGPPS expressed in Escherichia coli BL21 (DE3) using FPP and [14C] IPP as substrate preincubated for 15 mins with FPP followed by [14C] IPP addition and further incubated for 20 mins by scintillation counting method
50009681	2	ChEMBL_1914527 (CHEMBL4417110)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition in presence of 0.01 % Triton X-100 by continuous spectrophotometric assay
50009681	3	ChEMBL_1914530 (CHEMBL4417113)	Binding affinity to human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay
50009681	4	ChEMBL_1914528 (CHEMBL4417111)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition in absence of 0.01 % Triton X-100 by continuous spectrophotometric assay
50009681	5	ChEMBL_1914524 (CHEMBL4417107)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition by continuous spectrophotometric assay
50009681	6	ChEMBL_1914517 (CHEMBL4417100)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by scintillation counter method
50009681	7	ChEMBL_1914520 (CHEMBL4417103)	Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP as substrate measured after 30 mins in presence of Mg2+
50009681	8	ChEMBL_1914518 (CHEMBL4417101)	Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as substrate
50009681	9	ChEMBL_1914533 (CHEMBL4417116)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as substrate measured after 30 mins
50009681	10	ChEMBL_1914534 (CHEMBL4417117)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP as substrate measured after 30 mins in presence of Mg2+
50009681	11	ChEMBL_1914519 (CHEMBL4417102)	Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and GPP as substrate
50009681	12	ChEMBL_1914532 (CHEMBL4417115)	Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) measured after 30 mins
50009683	1	ChEMBL_1914608 (CHEMBL4417191)	Inhibition of human erythrocyte BuChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 30 secs for 1 hr by Ellman's method
50009686	1	ChEMBL_1914610 (CHEMBL4417193)	Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by ELISA
50009690	1	ChEMBL_1914636 (CHEMBL4417219)	Inhibition of of N-terminal (His)6 and Xpress-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in aminopeptidase activity by measuring p-nitroanilide release using L-arginine-p-nitroanilide incubated for 10 mins by UV plate reader based assay
50009690	2	ChEMBL_1914617 (CHEMBL4417200)	Inhibition of of N-terminal (His)6 and Xpress-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in aminopeptidase activity by measuring p-nitroanilide release using L-Alanine-p-nitroanilide incubated for 10 mins by UV plate reader based assay
50009691	1	ChEMBL_1914741 (CHEMBL4417324)	Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins in dark by ferric ion oxidation-xylenol orange method
50009691	2	ChEMBL_1914747 (CHEMBL4417330)	Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis
50009691	3	ChEMBL_1914745 (CHEMBL4417328)	Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LC-MS analysis
50009691	4	ChEMBL_1914743 (CHEMBL4417326)	Inhibition of human recombinant N-terminal His-tagged 15-LOX2 expressed in Escherichia coli using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins in dark by ferric ion oxidation-xylenol orange assay
50009693	1	ChEMBL_1914749 (CHEMBL4417332)	Agonist activity at human 5HT1A receptor expressed in CHOK1 cells incubated for 16 hrs followed by forskolin-stimulation and measured after 2 hrs by dual-glo luciferase reporter gene assay
50009694	1	ChEMBL_1914764 (CHEMBL4417347)	Inhibition of LMWPTP (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	2	ChEMBL_1914767 (CHEMBL4417350)	Inhibition of PTPep (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	3	ChEMBL_1914766 (CHEMBL4417349)	Inhibition of HePTP (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	4	ChEMBL_1914771 (CHEMBL4417354)	Inhibition of LAR (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	5	ChEMBL_1914769 (CHEMBL4417352)	Inhibition of PTPmu (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	6	ChEMBL_1914781 (CHEMBL4417364)	Inhibition of SHP2 (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	7	ChEMBL_1914768 (CHEMBL4417351)	Inhibition of TCPTP (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	8	ChEMBL_1914765 (CHEMBL4417348)	Inhibition of VHR (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	9	ChEMBL_1914770 (CHEMBL4417353)	Inhibition of CD45 (unknown origin) using DiFMUP as substrate incubated for 30 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009694	10	ChEMBL_1914762 (CHEMBL4417345)	Non-covalent inhibition of LAR (unknown origin) using DiFMUP as substrate incubated for 15 to 120 mins followed by substrate addition at pH 6.5 by standard phosphatase assay based fluorescence analysis
50009697	1	ChEMBL_1914799 (CHEMBL4417382)	Inhibition of SIRT1 (unknown origin)
50009697	2	ChEMBL_1914794 (CHEMBL4417377)	Inhibition of SIRT2 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay
50009697	3	ChEMBL_1914803 (CHEMBL4417386)	Inhibition of human SIRT2 (25-389 aa) expressed in Escherichia coli BL21 using ZMAL (Z-Lys(Acetyl)-AMC) as substrate incubated for 4 hrs by fluorescence based assay
50009697	4	ChEMBL_1914802 (CHEMBL4417385)	Inhibition of human SIRT1 (133-747 aa) expressed in Escherichia coli BL21 using ZMAL (Z-Lys(Acetyl)-AMC) as substrate incubated for 4 hrs by fluorescence based assay
50009697	5	ChEMBL_1914797 (CHEMBL4417380)	Inhibition of SIRT3 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay
50009697	6	ChEMBL_1914800 (CHEMBL4417383)	Inhibition of SIRT2 (unknown origin)
50009697	7	ChEMBL_1914801 (CHEMBL4417384)	Inhibition of SIRT3 (unknown origin)
50009697	8	ChEMBL_1914796 (CHEMBL4417379)	Inhibition of SIRT1 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay
50009697	9	ChEMBL_1914798 (CHEMBL4417381)	Inhibition of SIRT2 (unknown origin) assessed as increase in alpha-tubulin acetylation after 2 hrs by alpha-tubulin acetyl-K40 assay
50009697	10	ChEMBL_1914804 (CHEMBL4417387)	Inhibition of human SIRT3 (101-399 aa) expressed in Escherichia coli BL21 using ZMAL (Z-Lys(Acetyl)-AMC) as substrate incubated for 4 hrs by fluorescence based assay
50009699	1	ChEMBL_1914926 (CHEMBL4417509)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669-1210 AA) expressed in baculovirus using FAM-labelled peptide as substrate pre-incubated for 10 mins followed by substrate addition by mobility shift assay
50009699	2	ChEMBL_1914928 (CHEMBL4417511)	Inhibition of recombinant human EGFR L858R mutant expressed in baculovirus using FAM-labelled peptide as substrate pre-incubated for 10 mins followed by substrate addition by mobility shift assay
50009699	3	ChEMBL_1914927 (CHEMBL4417510)	Inhibition of N-terminal GST-tagged human EGFR (d746-750AA) expressed in baculovirus using FAM-labelled peptide as substrate pre-incubated for 10 mins followed by substrate addition by mobility shift assay
50009699	4	ChEMBL_1914929 (CHEMBL4417512)	Inhibition of N-terminal GST-tagged human FGFR1 cytoplasmic domain (398-822 AA) expressed in baculovirus using FAM-labelled peptide as substrate pre-incubated for 10 mins followed by substrate addition by mobility shift assay
50009701	1	ChEMBL_1915028 (CHEMBL4417611)	Antagonist activity at human A1AR expressed in CHO-K1 cells assessed as reduction in NECA-induced inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by fluorescence based assay
50009701	2	ChEMBL_1915025 (CHEMBL4417608)	Displacement of [3H]DPCPX from human A1AR expressed in CHO cells incubated for 50 mins by radioligand binding assay
50009701	3	ChEMBL_1915027 (CHEMBL4417610)	Displacement of [3H]ZM241385 from human A2AR expressed in CHO cells after 90 mins by radioligand binding assay
50009701	4	ChEMBL_1915030 (CHEMBL4417613)	Antagonist activity at A2AR (unknown origin)
50009701	5	ChEMBL_1915029 (CHEMBL4417612)	Antagonist activity at A1AR (unknown origin)
50009703	1	ChEMBL_1919875 (CHEMBL4422720)	Inhibition of GLS2 (unknown origin)
50009703	2	ChEMBL_1919857 (CHEMBL4422702)	Binding affinity to recombinant human C-terminal His-tagged GLS1 after 3 hrs in presence of glycine by GDH coupled assay
50009704	1	ChEMBL_1919921 (CHEMBL4422766)	Inhibition of human HDAC1 using fluorogenic HDAC substrate
50009704	2	ChEMBL_1919922 (CHEMBL4422767)	Inhibition of human HDAC2 using fluorogenic HDAC substrate
50009704	3	ChEMBL_1919926 (CHEMBL4422771)	Inhibition of human HDAC6 using fluorogenic HDAC substrate
50009704	4	ChEMBL_1919927 (CHEMBL4422772)	Inhibition of human HDAC7 using fluorogenic HDAC substrate
50009704	5	ChEMBL_1919882 (CHEMBL4422727)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50009704	6	ChEMBL_1919886 (CHEMBL4422731)	Inhibition of HDAC in human HeLa cytosolic extract using Fluor-de-lys as substrate measured after 60 mins by fluorescence assay
50009704	7	ChEMBL_1919914 (CHEMBL4422759)	Inhibition of recombinant full-length human C-terminal HDAC8 expressed in baculovirus infected Sf9 insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	8	ChEMBL_1919918 (CHEMBL4422763)	Inhibition of recombinant full-length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorescent-labelled Arg-His-Lys-Lys(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	9	ChEMBL_1919923 (CHEMBL4422768)	Inhibition of human HDAC3 using fluorogenic HDAC substrate
50009704	10	ChEMBL_1919925 (CHEMBL4422770)	Inhibition of human HDAC5 using fluorogenic HDAC substrate
50009704	11	ChEMBL_1919928 (CHEMBL4422773)	Inhibition of human HDAC8 using fluorogenic HDAC substrate
50009704	12	ChEMBL_1919929 (CHEMBL4422774)	Inhibition of human HDAC9 using fluorogenic HDAC substrate
50009704	13	ChEMBL_1919883 (CHEMBL4422728)	Inhibition of recombinant human His-tagged HDAC1 (482 residues) expressed in baculovirus infected insect cells using Boc Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009704	14	ChEMBL_1919889 (CHEMBL4422734)	Inhibition of GST-tagged HDAC1 (unknown origin) expressed in insect cells using poly (Glu, Tyr) 4:1 as substrate measured after 15 mins in presence of [gamma-33P]ATP by Topcount method
50009704	15	ChEMBL_1919890 (CHEMBL4422735)	Inhibition of HDAC1/HDAC2 in human HeLa nuclear extract
50009704	16	ChEMBL_1919909 (CHEMBL4422754)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	17	ChEMBL_1919931 (CHEMBL4422776)	Inhibition of human HDAC11 using fluorogenic HDAC substrate
50009704	18	ChEMBL_1919932 (CHEMBL4422777)	Inhibition of HDAC in human HeLa nuclear extract
50009704	19	ChEMBL_1919940 (CHEMBL4422785)	Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	20	ChEMBL_1919942 (CHEMBL4422787)	Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	21	ChEMBL_1919891 (CHEMBL4422736)	Inhibition of HDAC3 (unknown origin)
50009704	22	ChEMBL_1919892 (CHEMBL4422737)	Inhibition of HDAC6 (unknown origin)
50009704	23	ChEMBL_1919895 (CHEMBL4422740)	Inhibition of recombinant full-length human HDAC2 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	24	ChEMBL_1919945 (CHEMBL4422790)	Inhibition of recombinant human HDAC4 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay
50009704	25	ChEMBL_1919946 (CHEMBL4422791)	Inhibition of recombinant mouse HDAC6 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay
50009704	26	ChEMBL_1919936 (CHEMBL4422781)	Inhibition of recombinant full-length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-H2 as substrate measured by electrophoretic mobility shift assay
50009704	27	ChEMBL_1919938 (CHEMBL4422783)	Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	28	ChEMBL_1919898 (CHEMBL4422743)	Inhibition of recombinant full-length human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay
50009704	29	ChEMBL_1919901 (CHEMBL4422746)	Inhibition of recombinant full-length human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay
50009704	30	ChEMBL_1919986 (CHEMBL4422831)	Inhibition of HDAC in human Jurkat T cells using [3H]acetyl histone as substrate
50009704	31	ChEMBL_1919950 (CHEMBL4422795)	Inhibition of HDAC1 (unknown origin)
50009704	32	ChEMBL_1919953 (CHEMBL4422798)	Inhibition of recombinant human FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-l-Lys(Ac)-AMC as substrate preincubated up to 3 hrs and measured after 35 mins by fluorescence assay
50009704	33	ChEMBL_1919955 (CHEMBL4422800)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells using Boc-l-Lys(Ac)-AMC as substrate preincubated up to 3 hrs and measured after 35 mins by fluorescence assay
50009704	34	ChEMBL_1919963 (CHEMBL4422808)	Inhibition of HDAC6 in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate measured after 30 mins by fluorescence assay
50009704	35	ChEMBL_1919951 (CHEMBL4422796)	Inhibition of HDAC4 (unknown origin)
50009704	36	ChEMBL_1919899 (CHEMBL4422744)	Inhibition of recombinant full-length human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay
50009704	37	ChEMBL_1919900 (CHEMBL4422745)	Inhibition of recombinant full-length human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate measured after 2 hrs by fluorescence assay
50009704	38	ChEMBL_1919902 (CHEMBL4422747)	Inhibition of recombinant full-length human HDAC6 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	39	ChEMBL_1919903 (CHEMBL4422748)	Inhibition of recombinant full-length human HDAC10 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	40	ChEMBL_1919904 (CHEMBL4422749)	Inhibition of recombinant full-length human HDAC11 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	41	ChEMBL_1919907 (CHEMBL4422752)	Inhibition of recombinant human FLAG/His-tagged HDAC1 expressed in baculovirus expression system using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	42	ChEMBL_1919910 (CHEMBL4422755)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf21 insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	43	ChEMBL_1919911 (CHEMBL4422756)	Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus-infected insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	44	ChEMBL_1919912 (CHEMBL4422757)	Inhibition of recombinant human HDAC6 using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	45	ChEMBL_1919913 (CHEMBL4422758)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	46	ChEMBL_1919915 (CHEMBL4422760)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	47	ChEMBL_1919916 (CHEMBL4422761)	Inhibition of recombinant human N-terminal FLAG-tagged HDAC10 (2 to 631 residues) expressed in baculovirus infected using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	48	ChEMBL_1919917 (CHEMBL4422762)	Inhibition of recombinant full-length human HDAC11 expressed in baculovirus infected Sf9 insect cells using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009704	49	ChEMBL_1919919 (CHEMBL4422764)	Inhibition of recombinant human HDAC6 using Boc Lys(Ac)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50009704	50	ChEMBL_1919924 (CHEMBL4422769)	Inhibition of human HDAC4 using fluorogenic HDAC substrate
50009704	51	ChEMBL_1919930 (CHEMBL4422775)	Inhibition of human HDAC10 using fluorogenic HDAC substrate
50009704	52	ChEMBL_1919884 (CHEMBL4422729)	Inhibition of recombinant human His-tagged HDAC6 expressed in baculovirus infected insect cells using Boc Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009704	53	ChEMBL_1919885 (CHEMBL4422730)	Inhibition of HDAC in human HeLa nuclear extract using Fluor-de-lys as substrate measured after 60 mins by fluorescence assay
50009704	54	ChEMBL_1919887 (CHEMBL4422732)	Inhibition of recombinant human GST-fused HDAC1 expressed in HEK293 cells Fluor-de-lys as substrate measured after 60 mins by fluorescence assay
50009704	55	ChEMBL_1919888 (CHEMBL4422733)	Inhibition of recombinant human His-tagged HDAC6 expressed in baculovirus infected insect cells using Fluor-de-lys as substrate measured after 60 mins by fluorescence assay
50009704	56	ChEMBL_1919935 (CHEMBL4422780)	Inhibition of human HDAC8 using ZMTFAL as substrate measured after 90 mins by fluorescence assay
50009704	57	ChEMBL_1919937 (CHEMBL4422782)	Inhibition of HDAC3 (unknown origin) using peptide substrate measured after 1 hr
50009704	58	ChEMBL_1919939 (CHEMBL4422784)	Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	59	ChEMBL_1919941 (CHEMBL4422786)	Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	60	ChEMBL_1919943 (CHEMBL4422788)	Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay
50009704	61	ChEMBL_1919944 (CHEMBL4422789)	Inhibition of recombinant human HDAC1 expressed in HEK293T cells using Ac-KGLGK(Ac)-MCA as substrate measured after 30 mins by fluorescence assay
50009704	62	ChEMBL_1919952 (CHEMBL4422797)	Inhibition of HDAC8 (unknown origin)
50009704	63	ChEMBL_1919954 (CHEMBL4422799)	Inhibition of recombinant human full-length HDAC2 expressed in baculovirus expression system using Boc-l-Lys(Ac)-AMC as substrate preincubated up to 24 hrs and measured after 60 mins by fluorescence assay
50009704	64	ChEMBL_1919956 (CHEMBL4422801)	Inhibition of HDAC8 (unknown origin) expressed in Escherichia coli using BML-KI-178 as substrate preincubated up to 3 hrs and measured after 35 mins by fluorescence assay
50009704	65	ChEMBL_1919962 (CHEMBL4422807)	Inhibition of HDAC2 in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate measured after 30 mins by fluorescence assay
50009704	66	ChEMBL_1919964 (CHEMBL4422809)	Inhibition of HDAC8 in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate measured after 30 mins by fluorescence assay
50009704	67	ChEMBL_1919973 (CHEMBL4422818)	Inhibition of HDAC (unknown origin)
50009704	68	ChEMBL_1919893 (CHEMBL4422738)	Inhibition of recombinant human GST-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells Fluor-de-lys as substrate measured after 2 hrs by fluorescence assay
50009704	69	ChEMBL_1919894 (CHEMBL4422739)	Inhibition of recombinant full-length human HDAC1 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	70	ChEMBL_1919896 (CHEMBL4422741)	Inhibition of recombinant full-length human HDAC3/NCOR2 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	71	ChEMBL_1919897 (CHEMBL4422742)	Inhibition of recombinant full-length human HDAC8 using RHKK(Ac) as substrate measured after 2 hrs by fluorescence assay
50009704	72	ChEMBL_1919987 (CHEMBL4422832)	Inhibition of recombinant human HDAC1 expressed in NIH/3T3 cells using [3H]acetyl histone as substrate measured after 15 mins by liquid scintillation counting method
50009704	73	ChEMBL_1919988 (CHEMBL4422833)	Inhibition of recombinant mouse HDAC6 expressed in HEK293 cells using [3H]acetyl histone as substrate measured after 15 mins by liquid scintillation counting method
50009704	74	ChEMBL_1919989 (CHEMBL4422834)	Inhibition of HDAC2 (unknown origin)
50009704	75	ChEMBL_1919990 (CHEMBL4422835)	Inhibition of HDAC6 (unknown origin) using (RHKK(Ac)AMC as substrate
50009704	76	ChEMBL_1919908 (CHEMBL4422753)	Inhibition of recombinant human full-length HDAC2 expressed in baculovirus expression system using 7-AMC-labelled HDAC substrate measured after 30 mins by fluorescence assay
50009705	1	ChEMBL_1919998 (CHEMBL4422843)	Inhibition of recombinant full length human GST-tagged SHP2 E76K mutant using pNPP as substrate pre-incubated for 15 mins before pNPP substrate addition and measured after 15 mins
50009705	2	ChEMBL_1920014 (CHEMBL4422859)	Binding affinity to full length wild type His-tagged SHP2 (unknown origin) by MST assay
50009705	3	ChEMBL_1919999 (CHEMBL4422844)	Inhibition of recombinant full length human GST-tagged SHP2 PTP domain using pNPP as substrate pre-incubated for 15 mins before pNPP substrate addition and measured after 15 mins
50009705	4	ChEMBL_1919997 (CHEMBL4422842)	Inhibition of wild type recombinant human SHP1 using H-Glu-Phe-pTyr-Ala-Glu-Val-Gly-Arg-Ser-Pro-Pro-Asp-Pro-Ala-Lys as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Malachite Green-reagent based assay
50009705	5	ChEMBL_1919996 (CHEMBL4422841)	Inhibition of wild type recombinant human SHP2 using H-Glu-Phe-pTyr-Ala-Glu-Val-Gly-Arg-Ser-Pro-Pro-Asp-Pro-Ala-Lys as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Malachite Green-reagent based assay
50009706	1	ChEMBL_1920054 (CHEMBL4422899)	Inhibition of human PDE4D2 (86 to 413 residues) catalytic domain using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50009708	1	ChEMBL_1920100 (CHEMBL4422945)	Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay
50009708	2	ChEMBL_1920111 (CHEMBL4422956)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis
50009708	3	ChEMBL_1920178 (CHEMBL4423023)	Antagonist activity at recombinant human A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	4	ChEMBL_1920177 (CHEMBL4423022)	Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	5	ChEMBL_1920203 (CHEMBL4423048)	Inhibition of human A2B adenosine receptor
50009708	6	ChEMBL_1920112 (CHEMBL4422957)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis
50009708	7	ChEMBL_1920114 (CHEMBL4422959)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis
50009708	8	ChEMBL_1920172 (CHEMBL4423017)	Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay
50009708	9	ChEMBL_1920179 (CHEMBL4423024)	Antagonist activity at recombinant human A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	10	ChEMBL_1920185 (CHEMBL4423030)	Antagonist activity at recombinant mouse A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	11	ChEMBL_1920186 (CHEMBL4423031)	Antagonist activity at recombinant mouse A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	12	ChEMBL_1920115 (CHEMBL4422960)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50009708	13	ChEMBL_1920180 (CHEMBL4423025)	Antagonist activity at recombinant human A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	14	ChEMBL_1920187 (CHEMBL4423032)	Antagonist activity at recombinant mouse A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	15	ChEMBL_1920193 (CHEMBL4423038)	Antagonist activity at recombinant rat A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	16	ChEMBL_1920171 (CHEMBL4423016)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins by radioligand displacement assay
50009708	17	ChEMBL_1920113 (CHEMBL4422958)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis
50009708	18	ChEMBL_1920184 (CHEMBL4423029)	Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	19	ChEMBL_1920191 (CHEMBL4423036)	Antagonist activity at recombinant rat A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay
50009708	20	ChEMBL_1920173 (CHEMBL4423018)	Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay
50009709	1	ChEMBL_1920245 (CHEMBL4423090)	Inhibition of mouse liver HDAC using Boc-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009711	1	ChEMBL_1920307 (CHEMBL4423152)	Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay
50009711	2	ChEMBL_1920306 (CHEMBL4423151)	Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay
50009712	1	ChEMBL_1920404 (CHEMBL4423249)	Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay
50009712	2	ChEMBL_1920405 (CHEMBL4423250)	Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay
50009712	3	ChEMBL_1920402 (CHEMBL4423247)	Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay
50009712	4	ChEMBL_1920403 (CHEMBL4423248)	Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay
50009714	1	ChEMBL_1920432 (CHEMBL4423277)	Inhibition of ABCB1 in human A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 1 hr by fluorescence assay
50009714	2	ChEMBL_1920434 (CHEMBL4423279)	Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay
50009714	3	ChEMBL_1920435 (CHEMBL4423280)	Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as potentiation of SN-38-induced cytotoxicity measured after 72 hrs by MTT assay
50009714	4	ChEMBL_1920430 (CHEMBL4423275)	Inhibition of ABCG2 (unknown origin) expressed in MDCK II BCRP cells assessed as effect on pheophorbide A accumulation after 120 mins by flow cytometric analysis
50009714	5	ChEMBL_1920433 (CHEMBL4423278)	Inhibition of ABCC1 in human H96AR cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 1 hr by fluorescence assay
50009717	1	ChEMBL_1920445 (CHEMBL4423290)	Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay
50009717	2	ChEMBL_1920448 (CHEMBL4423293)	Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay
50009717	3	ChEMBL_1920446 (CHEMBL4423291)	Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay
50009717	4	ChEMBL_1920455 (CHEMBL4423300)	Antagonist activity at gal4-fused rat mineralocorticoid receptor LBD in expressed in human U2OS cells by luciferase reporter gene assay
50009717	5	ChEMBL_1920442 (CHEMBL4423287)	Modulation activity at human mineralocorticoid receptor in human EA.hy926 cells assessed as induction of nuclear translocation of mineralocorticoid receptor in absence of aldosterone by receptor translocation assay
50009717	6	ChEMBL_1920447 (CHEMBL4423292)	Binding affinity to recombinant human progesterone receptor LBD by fluormone PL red-fluorescence polarization assay
50009717	7	ChEMBL_1920453 (CHEMBL4423298)	Antagonist activity at full length human mineralocorticoid receptor expressed in human U2OS cells by luciferase reporter gene assay
50009717	8	ChEMBL_1920457 (CHEMBL4423302)	Modulation activity at human mineralocorticoid receptor in human EA.hy926 cells assessed as blocking of nuclear translocation of mineralocorticoid receptor in presence of aldosterone by receptor translocation assay
50009718	1	ChEMBL_1920496 (CHEMBL4423341)	Binding affinity to human histamine 2 receptor expressed in HEK cells by radioligand binding assay
50009718	2	ChEMBL_1920499 (CHEMBL4423344)	Displacement of [3H]Pentazocine from guinea pig sigma-1 receptor by radioligand binding assay
50009718	3	ChEMBL_1920495 (CHEMBL4423340)	Displacement of [3H]WIN35428 from human DAT receptor expressed in HEK cells by radioligand binding assay
50009718	4	ChEMBL_1920498 (CHEMBL4423343)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK cells by radioligand binding assay
50009718	5	ChEMBL_1920494 (CHEMBL4423339)	Displacement of [3H]N-methylspiperone from human D4 receptor by radioligand binding assay
50009718	6	ChEMBL_1920493 (CHEMBL4423338)	Displacement of [3H] NECA from human adrenergic alpha 2A receptor expressed in MDCK cells by radioligand binding assay
50009718	7	ChEMBL_1920492 (CHEMBL4423337)	Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cells by radioligand binding assay
50009718	8	ChEMBL_1920491 (CHEMBL4423336)	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay
50009718	9	ChEMBL_1920500 (CHEMBL4423345)	Displacement of [3H]DTG from sigma-2 receptor in rat PC12 cells by radioligand binding assay
50009718	10	ChEMBL_1920497 (CHEMBL4423342)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in HEK cells by radioligand binding assay
50009719	1	ChEMBL_1920506 (CHEMBL4423351)	Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	2	ChEMBL_1920503 (CHEMBL4423348)	Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate-3 by fluorescence assay
50009719	3	ChEMBL_1920502 (CHEMBL4423347)	Inhibition of HDAC2 (unknown origin) using fluorogenic HDAC substrate-3 by fluorescence assay
50009719	4	ChEMBL_1920509 (CHEMBL4423354)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate-3 by fluorescence assay
50009719	5	ChEMBL_1920501 (CHEMBL4423346)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate-3 by fluorescence assay
50009719	6	ChEMBL_1920504 (CHEMBL4423349)	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	7	ChEMBL_1920505 (CHEMBL4423350)	Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	8	ChEMBL_1920507 (CHEMBL4423352)	Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	9	ChEMBL_1920508 (CHEMBL4423353)	Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	10	ChEMBL_1920511 (CHEMBL4423356)	Inhibition of human recombinant HDAC11 using fluorogenic HDAC substrate class 2A by fluorescence assay
50009719	11	ChEMBL_1920510 (CHEMBL4423355)	Inhibition of HDAC10 (unknown origin) by fluorescence assay
50009720	1	ChEMBL_1920527 (CHEMBL4423372)	Inhibition of BTK (unknown origin) by ADP-gloassay
50009720	2	ChEMBL_1920529 (CHEMBL4423374)	Inhibition of PI3Kdelta (unknown origin) by ADP-gloassay
50009720	3	ChEMBL_1920532 (CHEMBL4423377)	Inhibition of PI3Kalpha (unknown origin) by ADP-gloassay
50009720	4	ChEMBL_1920534 (CHEMBL4423379)	Inhibition of PI3Kgamma (unknown origin) by ADP-gloassay
50009720	5	ChEMBL_1920535 (CHEMBL4423380)	Inhibition of mTOR (unknown origin) by ADP-gloassay
50009720	6	ChEMBL_1920533 (CHEMBL4423378)	Inhibition of PI3Kbeta (unknown origin) by ADP-gloassay
50009722	1	ChEMBL_1920553 (CHEMBL4423398)	Inhibition of ERK2 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay
50009722	2	ChEMBL_1920554 (CHEMBL4423399)	Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by ADP-Glo luminescence assay
50009726	1	ChEMBL_1920576 (CHEMBL4423421)	Agonist activity at human FFA1 receptor expressed in CHO cells by Fluo 4-AM dye based FLIPR assay
50009726	2	ChEMBL_1920580 (CHEMBL4423425)	Transactivation of GAL4-fused human PPARalpha LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50009726	3	ChEMBL_1920577 (CHEMBL4423422)	Transactivation of GAL4-fused human PPARdelta LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50009726	4	ChEMBL_1920581 (CHEMBL4423426)	Transactivation of GAL4-fused human PPARgamma LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay
50009729	1	ChEMBL_1920591 (CHEMBL4423436)	Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells harboring Ga15 assessed as reduction in L-AP4-induced calcium flux preincubated for 142 secs followed by agonist addition and measured after 120 secs by Fluo-4-AM-dye based fluorescence assay
50009729	2	ChEMBL_1920617 (CHEMBL4423462)	Negative allosteric modulation of mGlu8 receptor (unknown origin)
50009729	3	ChEMBL_1920614 (CHEMBL4423459)	Negative allosteric modulation of mGlu4 receptor (unknown origin)
50009729	4	ChEMBL_1920613 (CHEMBL4423458)	Negative allosteric modulation of mGlu3 receptor (unknown origin)
50009729	5	ChEMBL_1920612 (CHEMBL4423457)	Negative allosteric modulation of mGlu2 receptor (unknown origin)
50009729	6	ChEMBL_1920615 (CHEMBL4423460)	Negative allosteric modulation of mGlu5 receptor (unknown origin)
50009729	7	ChEMBL_1920611 (CHEMBL4423456)	Negative allosteric modulation of mGlu1 receptor (unknown origin)
50009729	8	ChEMBL_1920616 (CHEMBL4423461)	Negative allosteric modulation of mGlu6 receptor (unknown origin)
50009730	1	ChEMBL_1920681 (CHEMBL4423526)	Inhibition of TCPTP (unknown origin) using pNPP as substrate after 30 mins
50009730	2	ChEMBL_1920680 (CHEMBL4423525)	Inhibition of PTP1B (unknown origin) using pNPP as substrate after 30 mins
50009730	3	ChEMBL_1920682 (CHEMBL4423527)	Inhibition of SHP2 (unknown origin) using pNPP as substrate after 30 mins
50009733	1	ChEMBL_1920784 (CHEMBL4423629)	Inhibition of thymidine phosphorylase (unknown origin)
50009733	2	ChEMBL_1920696 (CHEMBL4423541)	Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by UV/visible spectrophotometry
50009733	3	ChEMBL_1920760 (CHEMBL4423605)	Inhibition of CYP3A4 in human liver microsomes by HPLC-MS/MS analysis
50009733	4	ChEMBL_1920762 (CHEMBL4423607)	Inhibition of CYP2C9 in human liver microsomes by HPLC-MS/MS analysis
50009733	5	ChEMBL_1920764 (CHEMBL4423609)	Inhibition of CYP2D6 in human liver microsomes by HPLC-MS/MS analysis
50009733	6	ChEMBL_1920786 (CHEMBL4423631)	Inhibition of CYP2E1 in human liver microsomes by HPLC-MS/MS analysis
50009733	7	ChEMBL_1920763 (CHEMBL4423608)	Inhibition of CYP2C19 in human liver microsomes by HPLC-MS/MS analysis
50009733	8	ChEMBL_1920761 (CHEMBL4423606)	Inhibition of CYP1A2 in human liver microsomes by HPLC-MS/MS analysis
50009733	9	ChEMBL_1920785 (CHEMBL4423630)	Competitive inhibition of thymidine phosphorylase (unknown origin)
50009734	1	ChEMBL_1920863 (CHEMBL4423708)	Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay
50009734	2	ChEMBL_1920865 (CHEMBL4423710)	Inhibition of EphB4 (unknown origin) after 1 hrs by ADP-Glo luminescence assay
50009734	3	ChEMBL_1920864 (CHEMBL4423709)	Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay
50009736	1	ChEMBL_1920874 (CHEMBL4423719)	Antagonist activity at mouse TRPV2 expressed in HEK293T cells assessed as inhibition of 2-APB evoked currents at -60 mV holding potential by whole-cell patch clamp assay
50009736	2	ChEMBL_1920873 (CHEMBL4423718)	Antagonist activity at TRPV2 (unknown origin)
50009738	1	ChEMBL_1920903 (CHEMBL4423748)	Positive allosteric modulation of rat GluN1/GluN2D expressed in Xenopus laevis oocytes assessed as potentiation of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	2	ChEMBL_1920901 (CHEMBL4423746)	Positive allosteric modulation of rat GluN1/GluN2B expressed in Xenopus laevis oocytes assessed as potentiation of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	3	ChEMBL_1920917 (CHEMBL4423762)	Negative allosteric modulation of rat GluN1/GluN2B expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	4	ChEMBL_1920921 (CHEMBL4423766)	Negative allosteric modulation of rat GluN1/GluN2D expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	5	ChEMBL_1920900 (CHEMBL4423745)	Positive allosteric modulation of rat GluN1/GluN2A expressed in Xenopus laevis oocytes assessed as potentiation of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	6	ChEMBL_1920902 (CHEMBL4423747)	Positive allosteric modulation of rat GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as potentiation of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	7	ChEMBL_1920915 (CHEMBL4423760)	Negative allosteric modulation of rat GluN1/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009738	8	ChEMBL_1920919 (CHEMBL4423764)	Negative allosteric modulation of rat GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as inhibition of L-glutamate/glycine-induced current response at holding potential -60 mV by two-electrode voltage clamp method
50009740	1	ChEMBL_1920940 (CHEMBL4423785)	Positive allosteric modulation of 5HT2C receptor (unknown origin) expressed in HEK293 cells co-expressing NFAT-RE assessed as increase in serotonin-induced reponse after 6 to 12 hrs by Bright-Glo luciferase reporter gene assay
50009740	2	ChEMBL_1920941 (CHEMBL4423786)	Positive allosteric modulation of 5HT2A receptor (unknown origin) expressed in HEK293 cells co-expressing NFAT-RE assessed as increase in serotonin-induced reponse after 6 to 12 hrs by Bright-Glo luciferase reporter gene assay
50009740	3	ChEMBL_1920942 (CHEMBL4423787)	Positive allosteric modulation of 5HT2B receptor (unknown origin) expressed in HEK293 cells co-expressing NFAT-RE assessed as increase in serotonin-induced reponse after 6 to 12 hrs by Bright-Glo luciferase reporter gene assay
50009741	1	ChEMBL_1920945 (CHEMBL4423790)	Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 60 mins by resazurin dye based diaphorase-coupled assay
50009741	2	ChEMBL_1920944 (CHEMBL4423789)	Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and NADPH addition and measured after 60 mins by resazurin dye based diaphorase-coupled assay
50009741	3	ChEMBL_1920982 (CHEMBL4423827)	Inhibition of human DHFR
50009742	1	ChEMBL_1920995 (CHEMBL4423840)	Inhibition of 9-cis-retinoic acid competition binding to RXRalpha LBD (unknown origin) by fluorescence quenching method
50009743	1	ChEMBL_1921004 (CHEMBL4423849)	Inhibition of human 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition
50009743	2	ChEMBL_1921003 (CHEMBL4423848)	Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition
50009743	3	ChEMBL_1921006 (CHEMBL4423851)	Inhibition of human 20s proteasome subunit beta2 caspase-like activity using Z-LLE-AMC as substrate preincubated for 15 mins followed by substrate addition
50009743	4	ChEMBL_1921005 (CHEMBL4423850)	Inhibition of human 20s immunoproteasome beta5i activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition
50009744	1	ChEMBL_1921041 (CHEMBL4423886)	Inhibition of NL-tagged YAP (unknown origin) interaction with myc-tagged human TEAD1 preincubated for 1 hr followed by NL-tagged YAP addition by NanoGlo assay
50009744	2	ChEMBL_1921059 (CHEMBL4423904)	Binding affinity to TEAD1 (194 to 411 residues) (unknown origin) by ITC assay
50009744	3	ChEMBL_1921067 (CHEMBL4423912)	Inhibition of Gal4-fused TEAD3 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay
50009744	4	ChEMBL_1921068 (CHEMBL4423913)	Inhibition of Gal4-fused TEAD4 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay
50009744	5	ChEMBL_1921065 (CHEMBL4423910)	Inhibition of Gal4-fused TEAD1 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay
50009744	6	ChEMBL_1921066 (CHEMBL4423911)	Inhibition of Gal4-fused TEAD2 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay
50009748	1	ChEMBL_1921219 (CHEMBL4424064)	Binding affinity to HIV1 cYTA48P envelope glycoprotein gp120 infected in human TZM-b1 cells assessed as induction of conformational changes measured after 48 hrs
50009750	1	ChEMBL_1921287 (CHEMBL4424132)	Inhibition of AXL (unknown origin) using poly (Glu, Tyr) as substrate after 60 mins by ELISA
50009750	2	ChEMBL_1921288 (CHEMBL4424133)	Inhibition of TEL/AXL (unknown origin) expressed in mouse BA/F3 cells assessed as growth inhibition after 72 hrs by SRB assay
50009752	1	ChEMBL_1921296 (CHEMBL4424141)	Agonist activity at human FFA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based assay
50009753	1	ChEMBL_1921316 (CHEMBL4424161)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophotometric analysis
50009753	2	ChEMBL_1921318 (CHEMBL4424163)	Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50009753	3	ChEMBL_1921317 (CHEMBL4424162)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50009753	4	ChEMBL_1921326 (CHEMBL4424171)	Inhibition of MAO-A in Sprague-Dawley rat brain mitochondrial fraction after 10 mins in presence of [14C]5-hydroxytryptamine by liquid scintillation analysis
50009753	5	ChEMBL_1921325 (CHEMBL4424170)	Inhibition of human MAO-A using kynuramine as substrate after 30 mins by spectrophotometric analysis
50009753	6	ChEMBL_1921324 (CHEMBL4424169)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate after 15 mins by resorufin dye-based spectrometric analysis
50009753	7	ChEMBL_1921322 (CHEMBL4424167)	Inhibition of MAO-A in mouse brain mitochondrial fraction using kynuramine as substrate by fluorometric analysis
50009753	8	ChEMBL_1921321 (CHEMBL4424166)	Inhibition of human recombinant MAO-A using kynuramine as substrate after 10 mins
50009753	9	ChEMBL_1921315 (CHEMBL4424160)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by spectrophotometric analysis
50009753	10	ChEMBL_1921320 (CHEMBL4424165)	Inhibition of MAO-A in mouse brain mitochondrial fraction using kynuramine as substrate after 30 mins by fluorometric analysis
50009753	11	ChEMBL_1921323 (CHEMBL4424168)	Inhibition of human MAO-A using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis
50009754	1	ChEMBL_1921341 (CHEMBL4424186)	Inhibition of recombinant human KLK7 using S-2586 substrate
50009754	2	ChEMBL_1921335 (CHEMBL4424180)	Inhibition of recombinant human FLAG-tagged KLK5 expressed in baculovirus infected sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as substrate measured every 30 secs intervals for 5 mins by Rhodamine110 dye-based fluorescence assay
50009754	3	ChEMBL_1921336 (CHEMBL4424181)	Inhibition of recombinant human N-terminal his-tagged KLK1 (19 to 262 residues) expressed in baculovirus infected sf9 insect cells using R110 labelled GSK3162232A as substrate measured every 30 secs intervals for 5 mins by Rhodamine110 dye-based fluorescence assay
50009754	4	ChEMBL_1921334 (CHEMBL4424179)	Inhibition of KLK5 (unknown origin) using Boc-Val-Pro-Arg-AMC substrate incubated for 15 mins by fluorescence assay
50009754	5	ChEMBL_1921340 (CHEMBL4424185)	Inhibition of recombinant human KLK5 using S-2288 substrate
50009754	6	ChEMBL_1921342 (CHEMBL4424187)	Inhibition of recombinant human KLK14 using S-2302 substrate
50009756	1	ChEMBL_1921369 (CHEMBL4424214)	Inhibition of recombinant human SHP2 expressed in Escherichia coli using p-nitrophenol as substrate preincubated with substrate for 5 mins followed by enzyme addition
50009756	2	ChEMBL_1921366 (CHEMBL4424211)	Inhibition of recombinant human N-terminal GST-tagged TCPTP catalytic domain (2 to 315 residues) expressed in Escherichia coli using p-nitrophenol as substrate preincubated with substrate for 5 mins followed by enzyme addition
50009756	3	ChEMBL_1921368 (CHEMBL4424213)	Inhibition of recombinant human N-terminal GST-tagged MEG1 catalytic domain (637 to 926 residues) expressed in Escherichia coli using p-nitrophenol as substrate preincubated with substrate for 5 mins followed by enzyme addition
50009756	4	ChEMBL_1921367 (CHEMBL4424212)	Inhibition of recombinant human N-terminal GST-tagged MEG2 catalytic domain (285 to 593 residues) expressed in Escherichia coli using p-nitrophenol as substrate preincubated with substrate for 5 mins followed by enzyme addition
50009756	5	ChEMBL_1921365 (CHEMBL4424210)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using p-nitrophenol as substrate preincubated with substrate for 5 mins followed by enzyme addition
50009756	6	ChEMBL_1921374 (CHEMBL4424219)	Competitive inhibition of recombinant human PTP1B expressed in Escherichia coli using varying levels of p-nitrophenol as substrate by Lineweaver-burk plot analysis
50009758	1	ChEMBL_1921406 (CHEMBL4424251)	Inhibition of DNMT1 (unknown origin) using biotinylated substrate using [3H]-SAM after 1 hr by scintillation proximity assay
50009758	2	ChEMBL_1921407 (CHEMBL4424252)	Inhibition of DNMT3A/3L (unknown origin) using poly(2'-deoxyinosinic-2'-deoxycytidylic acid) as substrate after 1 hr by scintillation proximity assay
50009758	3	ChEMBL_1921408 (CHEMBL4424253)	Inhibition of DNMT3B/3L (unknown origin) using poly(2'-deoxyinosinic-2'-deoxycytidylic acid) as substrate after 1 hr by scintillation proximity assay
50009759	1	ChEMBL_1921423 (CHEMBL4424268)	Antagonist activity at GAL4-VP16-fused KOR (unknown origin) expressed in human U2OS cells co-expressing Tango-OPRK1-BLA assessed as inhibition of U-50488-induced beta-arrestin migration after 4 hrs by FRET assay
50009759	2	ChEMBL_1921424 (CHEMBL4424269)	Antagonist activity at GAL4-VP16-fused MOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migration preincubated for 30 mins followed by agonist addition and measured after 3 hrs by PathHunter assay
50009759	3	ChEMBL_1921482 (CHEMBL4424327)	Inhibition of CYP2C19 in human liver microsomes after 15 mins by LC-MS/MS analysis
50009759	4	ChEMBL_1921510 (CHEMBL4424355)	Binding affinity to human MOR
50009759	5	ChEMBL_1921425 (CHEMBL4424270)	Antagonist activity at GAL4-VP16-fused DOR (unknown origin) expressed in human U2OS cells assessed as inhibition of DAMGO-induced beta-arrestin migration preincubated for 30 mins followed by agonist addition and measured after 3 hrs by PathHunter assay
50009759	6	ChEMBL_1921505 (CHEMBL4424350)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins by LC-MS/MS analysis
50009759	7	ChEMBL_1921508 (CHEMBL4424353)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins by LC-MS/MS analysis
50009759	8	ChEMBL_1921481 (CHEMBL4424326)	Inhibition of CYP2C8 in human liver microsomes after 15 mins by LC-MS/MS analysis
50009759	9	ChEMBL_1921484 (CHEMBL4424329)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 15 mins by LC-MS/MS analysis
50009759	10	ChEMBL_1921506 (CHEMBL4424351)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysis relative to control
50009759	11	ChEMBL_1921509 (CHEMBL4424354)	Displacement of [3H]diprenorphine from human KOR
50009759	12	ChEMBL_1921483 (CHEMBL4424328)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 15 mins by LC-MS/MS analysis
50009759	13	ChEMBL_1921480 (CHEMBL4424325)	Inhibition of CYP2B6 in human liver microsomes after 15 mins by LC-MS/MS analysis
50009759	14	ChEMBL_1921440 (CHEMBL4424285)	Inhibition of human ERG expressed in HEK293 cells at 10 uM by Qpatch clamp assay
50009762	1	ChEMBL_1921534 (CHEMBL4424379)	Inhibition of CDK2 (unknown origin) after 3 hrs by kinase-glo luminescent assay relative to control
50009762	2	ChEMBL_1921538 (CHEMBL4424383)	Inhibition of MAPK8 (unknown origin) using peptide as substrate after 3 hrs by kinase-glo luminescent assay relative to control
50009762	3	ChEMBL_1921535 (CHEMBL4424380)	Inhibition of recombinant N-terminal human GST-tagged CK1delta (1 to 294 residues) expressed in Escherichia coli using RKKKAEpSVASLTSQCSYSS peptide as substrate after 3 hrs by kinase-glo luminescent assay relative to control
50009762	4	ChEMBL_1921533 (CHEMBL4424378)	Inhibition of recombinant full length human GST-tagged CK1apha expressed in baculovirus using peptide as substrate after 3 hrs by kinase-glo luminescent assay
50009762	5	ChEMBL_1921536 (CHEMBL4424381)	Inhibition of recombinant full length C-terminal human His-tagged CDK7/cyclin H/N-terminal MAT1 expressed in baculovirus expression system using Cdk7/9 peptide as substrate after 3 hrs by kinase-glo luminescent assay relative to control
50009762	6	ChEMBL_1921537 (CHEMBL4424382)	Inhibition of N-terminal GST-tagged recombinant full-length human MAPK1 expressed in Escherichia coli using MBP1 as substrate after 3 hrs by kinase-glo luminescent assay relative to control
50009763	1	ChEMBL_1921552 (CHEMBL4424397)	Inhibition of human factor 11a preincubated for 15 mins followed by chromogenic substrate addition
50009763	2	ChEMBL_1921550 (CHEMBL4424395)	Inhibition of mouse thrombin preincubated for 15 mins followed by chromogenic substrate addition
50009763	3	ChEMBL_1921547 (CHEMBL4424392)	Inhibition of human plasmin preincubated for 15 mins followed by chromogenic substrate addition
50009763	4	ChEMBL_1921557 (CHEMBL4424402)	Binding affinity to mouse uPA expressed in HEK2936E cells by ITC assay
50009763	5	ChEMBL_1921543 (CHEMBL4424388)	Inhibition of mouse plasma kallikrein preincubated for 15 mins followed by chromogenic substrate addition
50009763	6	ChEMBL_1921540 (CHEMBL4424385)	Inhibition of mouse uPA serine protease domain preincubated for 15 mins followed by chromogenic substrate addition
50009763	7	ChEMBL_1921594 (CHEMBL4424439)	Inhibition of mouse uPA
50009763	8	ChEMBL_1921567 (CHEMBL4424412)	Inhibition of uPA in presence of 75% mouse serum measured at 24 hrs
50009763	9	ChEMBL_1921565 (CHEMBL4424410)	Inhibition of uPA in presence of 75% mouse serum measured at 2 hrs
50009763	10	ChEMBL_1921558 (CHEMBL4424403)	Inhibition of the intrinsic peri-cellular uPA in mouse CT26 cells assessed as reduction in cell invasion measured every hour by transwell assay
50009763	11	ChEMBL_1921556 (CHEMBL4424401)	Binding affinity to mouse uPA by SPR assay
50009763	12	ChEMBL_1921554 (CHEMBL4424399)	Inhibition of human activated protein C preincubated for 15 mins followed by chromogenic substrate addition
50009763	13	ChEMBL_1921553 (CHEMBL4424398)	Inhibition of human matriptase preincubated for 15 mins followed by chromogenic substrate addition
50009763	14	ChEMBL_1921549 (CHEMBL4424394)	Inhibition of human thrombin preincubated for 15 mins followed by chromogenic substrate addition
50009763	15	ChEMBL_1921548 (CHEMBL4424393)	Inhibition of mouse plasmin preincubated for 15 mins followed by chromogenic substrate addition
50009763	16	ChEMBL_1921545 (CHEMBL4424390)	Inhibition of mouse tissue-type plasminogen activator preincubated for 15 mins followed by chromogenic substrate addition
50009763	17	ChEMBL_1921544 (CHEMBL4424389)	Inhibition of human tissue-type plasminogen activator preincubated for 15 mins followed by chromogenic substrate addition
50009763	18	ChEMBL_1921542 (CHEMBL4424387)	Inhibition of human plasma kallikrein preincubated for 15 mins followed by chromogenic substrate addition
50009763	19	ChEMBL_1921541 (CHEMBL4424386)	Inhibition of human uPA preincubated for 15 mins followed by chromogenic substrate addition
50009763	20	ChEMBL_1921539 (CHEMBL4424384)	Inhibition of mouse uPA preincubated for 15 mins followed by chromogenic substrate addition
50009763	21	ChEMBL_1921589 (CHEMBL4424434)	Inhibition of plasmin (unknown origin)
50009763	22	ChEMBL_1921590 (CHEMBL4424435)	Inhibition of thrombin (unknown origin)
50009763	23	ChEMBL_1921592 (CHEMBL4424437)	Inhibition of tPA (unknown origin)
50009763	24	ChEMBL_1921588 (CHEMBL4424433)	Inhibition of uPA (unknown origin)
50009763	25	ChEMBL_1921564 (CHEMBL4424409)	Inhibition of uPA in presence of 75% mouse serum measured immediately
50009763	26	ChEMBL_1921591 (CHEMBL4424436)	Inhibition of factor 10a (unknown origin)
50009763	27	ChEMBL_1921566 (CHEMBL4424411)	Inhibition of uPA in presence of 75% mouse serum measured at 8 hrs
50009763	28	ChEMBL_1921593 (CHEMBL4424438)	Inhibition of matriptase (unknown origin)
50009766	1	ChEMBL_1921623 (CHEMBL4424468)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R51A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	2	ChEMBL_1921621 (CHEMBL4424466)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	3	ChEMBL_1921628 (CHEMBL4424473)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R281A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	4	ChEMBL_1921629 (CHEMBL4424474)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 R302A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	5	ChEMBL_1921627 (CHEMBL4424472)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 T278A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	6	ChEMBL_1921626 (CHEMBL4424471)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 D277A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	7	ChEMBL_1921622 (CHEMBL4424467)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S50A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	8	ChEMBL_1921624 (CHEMBL4424469)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 S55A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009766	9	ChEMBL_1921625 (CHEMBL4424470)	Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 N275A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins
50009767	1	ChEMBL_1921647 (CHEMBL4424492)	Inhibition of NS5A Y93H mutant in HCV genotype 1a assessed as decrease in viral replication
50009767	2	ChEMBL_1921643 (CHEMBL4424488)	Inhibition of NS5A in HCV genotype 1a assessed as decrease in viral replication
50009767	3	ChEMBL_1921644 (CHEMBL4424489)	Inhibition of NS5A in HCV genotype 1b assessed as decrease in viral replication
50009767	4	ChEMBL_1921646 (CHEMBL4424491)	Inhibition of NS5A in HCV genotype 3a assessed as decrease in viral replication
50009767	5	ChEMBL_1921648 (CHEMBL4424493)	Inhibition of NS5A in HCV genotype 2b assessed as decrease in viral replication
50009767	6	ChEMBL_1921650 (CHEMBL4424495)	Inhibition of NS5A L31V mutant in HCV genotype 1a assessed as decrease in viral replication
50009767	7	ChEMBL_1921645 (CHEMBL4424490)	Inhibition of NS5A in HCV genotype 2a assessed as decrease in viral replication
50009767	8	ChEMBL_1921649 (CHEMBL4424494)	Inhibition of NS5A in HCV genotype 4a assessed as decrease in viral replication
50009769	1	ChEMBL_1921712 (CHEMBL4424557)	Inhibition of rat spleen OGA
50009769	2	ChEMBL_1921714 (CHEMBL4424559)	Inhibition of human OGA
50009771	1	ChEMBL_1921724 (CHEMBL4424569)	Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-based analysis
50009772	1	ChEMBL_1921766 (CHEMBL4424611)	Inhibition of human ABHD12 expressed in HEK293 cell homogenates pre-incubated for 30 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spectroscopy
50009772	2	ChEMBL_1921760 (CHEMBL4424605)	Displacement of [3H]CP55,940 to human CB2 receptor expressed in cell membranes after 90 mins by liquid scintillation counting
50009772	3	ChEMBL_1921767 (CHEMBL4424612)	Inhibition of MAGL in human U937 cell homogenates incubated for 5 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spectroscopy
50009772	4	ChEMBL_1921754 (CHEMBL4424599)	Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins
50009772	5	ChEMBL_1921764 (CHEMBL4424609)	Inhibition of human ABHD6 expressed in HEK293 cell homogenates pre-incubated for 30 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spectroscopy
50009772	6	ChEMBL_1921762 (CHEMBL4424607)	Inhibition of FAAH in human U937 cell homogenates using [ethanolamine-1-3H]AEA as substrate after 15 mins by liquid scintillation spectroscopy
50009772	7	ChEMBL_1921758 (CHEMBL4424603)	Displacement of [3H]CP55,940 to human CB1 receptor expressed in cell membranes after 90 mins by liquid scintillation counting
50009772	8	ChEMBL_1921757 (CHEMBL4424602)	Competitive inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins by Michaelis-Menten-based plot analysis
50009772	9	ChEMBL_1921798 (CHEMBL4424643)	Inhibition of MAGL in mouse brain membranes assessed as reduction in 2-OG hydrolysis preincubated for 15 mins followed by substrate addition and measured after 2 mins by liquid scintillation counting
50009773	1	ChEMBL_1921814 (CHEMBL4424659)	Activation of human GIRK1/2 expressed in HEK293 cells co-expressing rat mGlu8 by thallium flux assay
50009773	2	ChEMBL_1921816 (CHEMBL4424661)	Activation of human GIRK1/4 expressed in HEK293 cells co-expressing rat mGlu8 by thallium flux assay
50009775	1	ChEMBL_1921829 (CHEMBL4424674)	Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by stopped-flow CO2 hydration assay
50009775	2	ChEMBL_1921830 (CHEMBL4424675)	Inhibition of carbonic anhydrase 2 (unknown origin) by stopped-flow CO2 hydration assay
50009775	3	ChEMBL_1921831 (CHEMBL4424676)	Inhibition of carbonic anhydrase 9 (unknown origin) expressed in Escherichia coli BL21 by isothermal calorimetry assay
50009775	4	ChEMBL_1921832 (CHEMBL4424677)	Inhibition of carbonic anhydrase 2 (unknown origin) by isothermal calorimetry assay
50009776	1	ChEMBL_1921835 (CHEMBL4424680)	Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assay
50009776	2	ChEMBL_1921841 (CHEMBL4424686)	Inhibition of CYP2C9 (unknown origin)
50009776	3	ChEMBL_1921834 (CHEMBL4424679)	Inhibition of CYP1A2 (unknown origin)
50009776	4	ChEMBL_1921842 (CHEMBL4424687)	Inhibition of CYP3A4 (unknown origin)
50009776	5	ChEMBL_1921851 (CHEMBL4424696)	Antagonist activity at P2X7 receptor (unknown origin)
50009776	6	ChEMBL_1921845 (CHEMBL4424690)	Inhibition of CYP2C19 (unknown origin)
50009776	7	ChEMBL_1921844 (CHEMBL4424689)	Inhibition of CYP2D6 (unknown origin)
50009776	8	ChEMBL_1921850 (CHEMBL4424695)	Antagonist activity at P2X2 receptor (unknown origin)
50009777	1	ChEMBL_1921853 (CHEMBL4424698)	Binding affinity to human 15N-labelled 6His-tagged PDL1 IgV domain H140E mutant (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) by 1D-1H NMR spectroscopy
50009779	1	ChEMBL_1921861 (CHEMBL4424706)	Binding affinity to alphaVbeta3 integrin in human SKOV3 cells assessed as inhibition of cell adhesion to fibrinogen measured after 2 hrs by MTT assay
50009782	1	ChEMBL_1921879 (CHEMBL4424724)	Induction of ERalpha degradation in human MCF7 cells after 4 hrs by Alexafluor-488 conjugate anti-mouse IgG antibody/Hoechst 33342 staining based immunofluorescence imaging analysis
50009783	1	ChEMBL_1921889 (CHEMBL4424734)	Inhibition of recombinant human PTP1B using pNPP as substrate measured after 30 mins
50009784	1	ChEMBL_1921927 (CHEMBL4424772)	Inhibition of bacterial urease using urea as substrate preincubated for 15 mins followed by substrate addition by ELISA
50009784	2	ChEMBL_1921930 (CHEMBL4424775)	Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 15 mins by indophenol method
50009784	3	ChEMBL_1921929 (CHEMBL4424774)	Inhibition of jack bean urease using urea as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by ELISA
50009784	4	ChEMBL_1921931 (CHEMBL4424776)	Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate after 30 mins by indophenol method
50009785	1	ChEMBL_1921932 (CHEMBL4424777)	Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after 20 mins by DCPI dye-based assay
50009786	1	ChEMBL_1921954 (CHEMBL4424799)	Inhibition of human C-terminal FLAG-tagged KDM6B (1043 to end residues) expressed in baculovirus infected Sf9 insect cells using H3(21-44)-K27(Me3)-GK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	2	ChEMBL_1921939 (CHEMBL4424784)	Inhibition of human N-terminal FLAG/His-tagged KDM5B (2 to 751 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K4(Me3)-GGK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	3	ChEMBL_1921937 (CHEMBL4424782)	Inhibition of human C-terminal FLAG-tagged KDM5A (1 to 1090 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K4(Me3)-GGK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	4	ChEMBL_1921940 (CHEMBL4424785)	Inhibition of full-length human N-terminal FLAG/His-tagged KDM5C (2 to 1560 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K4(Me3)-GGK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	5	ChEMBL_1921951 (CHEMBL4424796)	Inhibition of human N-terminal FLAG/Avi-tagged KDM2A (2 to 700 residues) expressed in baculovirus infected Sf9 insect cells using H3(21-44)-K36(Me2)-GK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	6	ChEMBL_1921953 (CHEMBL4424798)	Inhibition of human N-terminal His-tagged KDM4A (1 to 350 residues) expressed in Escherichia coli using H3(21-44)-K36(Me3)-GK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	7	ChEMBL_1921955 (CHEMBL4424800)	Inhibition of human N-terminal FLAG-tagged KDM7B (2 to 525 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K9(Me2)-GGK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009786	8	ChEMBL_1921952 (CHEMBL4424797)	Inhibition of human N-terminal FLAG-tagged KDM3A (2 to 1321 residues) expressed in baculovirus infected Sf9 insect cells using H3(1-21)K9(Me1)-GGK(Biotin)/2-OG as substrate measured after 1 hr by Alphalisa assay
50009787	1	ChEMBL_1922011 (CHEMBL4424856)	Inhibition of recombinant human ERG expressed in HEK293 cells by whole-cell patch-clamp method
50009787	2	ChEMBL_1922003 (CHEMBL4424848)	Inhibition of human CSF1R tyrosine kinase domain (538 to 972 residues) using Poly(Glu, Tyr)-biotinylated peptide as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by HTRF assay
50009787	3	ChEMBL_1922043 (CHEMBL4424888)	Inhibition of full-length human N-terminal His6-tagged JNK3 expressed in baculovirus infected Sf21 insect cells using ATF2 as substrate
50009787	4	ChEMBL_1922053 (CHEMBL4424898)	Inhibition of human N-terminal His6-tagged PDGFRalpha (550 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	5	ChEMBL_1922004 (CHEMBL4424849)	Inhibition of CSF1R in CSF1-induced DBA/1J mouse BMMC assessed as reduction in LPS-induced IL6 production preincubated for overnight followed by LPS-stimulation and measured after 6 hrs by ELISA
50009787	6	ChEMBL_1922063 (CHEMBL4424908)	Inhibition of human N-terminal His6-tagged (11 to 552 residues) ROCK2 expressed in baculovirus infected Sf21 insect cells using Long S6 Kinase as substrate
50009787	7	ChEMBL_1922029 (CHEMBL4424874)	Inhibition of human full length C-terminal His6-tagged Cdk2/human full length N-terminal GST-tagged Cyclin A expressed in baculovirus infected Sf21 insect cells using Histone H1 as substrate
50009787	8	ChEMBL_1922035 (CHEMBL4424880)	Inhibition of human N-terminal His6-tagged FGFR3 (447 to 761 residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	9	ChEMBL_1922067 (CHEMBL4424912)	Inhibition of human N-terminal GST-tagged SGK1 (61 to 431 residues) expressed in baculovirus infected Sf21 insect cells Akt/SGK peptide as substrate
50009787	10	ChEMBL_1922068 (CHEMBL4424913)	Inhibition of human N-terminal His6-tagged SYK expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	11	ChEMBL_1922069 (CHEMBL4424914)	Inhibition of human N-terminal His6-tagged TIE2 (771 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	12	ChEMBL_1922026 (CHEMBL4424871)	Inhibition of recombinant human N-terminal His6-tagged Abl (27 to end residues) expressed in baculovirus infected Sf21 insect cells using Abltide as substrate
50009787	13	ChEMBL_1922028 (CHEMBL4424873)	Inhibition of recombinant full-length human N-terminal GST-tagged CDK1/cyclinB expressed in baculovirus infected Sf21 insect cells using Abltide as substrate
50009787	14	ChEMBL_1922031 (CHEMBL4424876)	Inhibition of human full length His6-tagged CK2alpha expressed in baculovirus infected Sf21 insect cells using Casein Kinase 2 substrate peptide
50009787	15	ChEMBL_1922032 (CHEMBL4424877)	Inhibition of human N-terminal GST-tagged c-kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	16	ChEMBL_1921999 (CHEMBL4424844)	Inhibition of human full-length N-terminal His-tagged SRC expressed in baculovirus infected Sf9 insect cells using Poly-(Glu4:Tyr) as substrate measured after 35 mins
50009787	17	ChEMBL_1922000 (CHEMBL4424845)	Inhibition of human N-terminal GST-tagged EGFR (696 to end residues) expressed in baculovirus infected Sf21 insect cells using Angiotensin II peptide as substrate
50009787	18	ChEMBL_1921998 (CHEMBL4424843)	Inhibition of human N-terminal GST-tagged FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 insect cells using IGF-IRtide (12-527) as substrate
50009787	19	ChEMBL_1922038 (CHEMBL4424883)	Inhibition of human full-length N-terminal His6-tagged Fyn expressed in baculovirus infected Sf21 insect cells using Src peptide as substrate
50009787	20	ChEMBL_1922040 (CHEMBL4424885)	Inhibition of human N-terminal His6-tagged IGF1R (959 to end residues) expressed in baculovirus infected Sf21 insect cells
50009787	21	ChEMBL_1922001 (CHEMBL4424846)	Inhibition of human N-terminal His6-tagged insulin receptor (1005 to 1310 residues) expressed in baculovirus infected Sf21 insect cells
50009787	22	ChEMBL_1922002 (CHEMBL4424847)	Inhibition of human N-terminal His-tagged JNK1alpha1 expressed in baculovirus infected Sf21 insect cells using ATF2 as substrate
50009787	23	ChEMBL_1922042 (CHEMBL4424887)	Inhibition of full-length human N-terminal His-tagged JNK2alpha2 expressed in baculovirus infected Sf21 insect cells using ATF2 as substrate
50009787	24	ChEMBL_1922046 (CHEMBL4424891)	Inhibition of full-length human N-terminal His6-tagged LYN expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	25	ChEMBL_1922047 (CHEMBL4424892)	Inhibition of human MAPK2 using myelin basic protein as substrate
50009787	26	ChEMBL_1922050 (CHEMBL4424895)	Inhibition of human N-terminal His6-tagged MET (974 to end residues) expressed in baculovirus infected Sf21 insect cells using KKKSPGEYVNIEFG as substrate
50009787	27	ChEMBL_1922051 (CHEMBL4424896)	Inhibition of human N-terminal His6-tagged MSK1 (2 to end residues) expressed in baculovirus infected Sf21 insect cells using Crosstide as substrate
50009787	28	ChEMBL_1922054 (CHEMBL4424899)	Inhibition of human N-terminal His6-tagged PDGFRbeta (557 to end residues) expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009787	29	ChEMBL_1922056 (CHEMBL4424901)	Inhibition of full length human untagged PKAalpha expressed in Escherichia coli BL21 (DE3) pLysS cells using Kemptide as substrate
50009787	30	ChEMBL_1922057 (CHEMBL4424902)	Inhibition of human full-length N-terminal His6-tagged PKBalpha expressed in baculovirus infected Sf21 insect cells using Crosstide as substrate
50009787	31	ChEMBL_1922059 (CHEMBL4424904)	Inhibition of human N-terminal His6-tagged (2 to end residues) PKCbeta expressed in baculovirus infected Sf21 insect cells using Histone H1 as substrate
50009787	32	ChEMBL_1922061 (CHEMBL4424906)	Inhibition of human PKCzeta
50009787	33	ChEMBL_1922064 (CHEMBL4424909)	Inhibition of human full-length N-terminal GST-tagged SAPK2a expressed in baculovirus infected Sf21 insect cells using MBP as substrate
50009787	34	ChEMBL_1922034 (CHEMBL4424879)	Inhibition of human N-terminal GST-tagged c-RAF Y340D/Y341D double mutant (306 to 648 residues) expressed in baculovirus infected Sf9 insect cells using MEK1(K97R) as substrate measured after 1 hr
50009787	35	ChEMBL_1922039 (CHEMBL4424884)	Inhibition of human N-terminal His6-tagged GSK3beta H350L mutant expressed in baculovirus infected Sf21 insect cells using phosphoglycogen synthase peptide-2 as substrate
50009787	36	ChEMBL_1922045 (CHEMBL4424890)	Inhibition of full-length human N-terminal His6-tagged LCK expressed in baculovirus infected Sf21 insect cells using Src peptide as substrate
50009787	37	ChEMBL_1922060 (CHEMBL4424905)	Inhibition of human full-length N-terminal His6-tagged PKCgamma expressed in baculovirus infected Sf21 insect cells using Histone H1 as substrate
50009787	38	ChEMBL_1922025 (CHEMBL4424870)	Inhibition of recombinant human N-terminal His6-tagged TrkA (440 to end residues) expressed in baculovirus infected Sf21 insect cells using KKKSPGEYVNIEFG as substrate
50009787	39	ChEMBL_1922037 (CHEMBL4424882)	Inhibition of human N-terminal GST-tagged Flt3 (564 to end residues) expressed in baculovirus infected Sf21 insect cells using Abltide as substrate
50009787	40	ChEMBL_1922062 (CHEMBL4424907)	Inhibition of human N-terminal His6-tagged PLK1 expressed in baculovirus infected Sf21 insect cells
50009787	41	ChEMBL_1922049 (CHEMBL4424894)	Inhibition of human full-length N-terminal GST-tagged/C-terminal His6-tagged MEK1 expressed in Escherichia coli using MBP as substrate
50009787	42	ChEMBL_1922055 (CHEMBL4424900)	Inhibition of human N-terminal His6-tagged PDK1 (52 to end residues) expressed in baculovirus infected Sf21 insect cells using PDKtide as substrate
50009787	43	ChEMBL_1922058 (CHEMBL4424903)	Inhibition of human full-length N-terminal His6-tagged PKCalpha expressed in baculovirus infected Sf21 insect cells using Histone H1 as substrate
50009787	44	ChEMBL_1922065 (CHEMBL4424910)	Inhibition of human full-length N-terminal GST-tagged SAPK2b2 expressed in baculovirus infected Sf21 insect cells using MBP as substrate
50009787	45	ChEMBL_1922030 (CHEMBL4424875)	Inhibition of human full length N-terminal GST-tagged CHK1 expressed in baculovirus infected Sf21 insect cells using CHKtide as substrate
50009787	46	ChEMBL_1922033 (CHEMBL4424878)	Inhibition of human full length N-terminal GST-tagged CSK expressed in Escherichia coli BL21 (DE3) cells using Poly (Glu4Tyr) as substrate
50009787	47	ChEMBL_1922036 (CHEMBL4424881)	Inhibition of human N-terminal GST-tagged Flt1 (783 to end residues) expressed in baculovirus infected Sf21 insect cells using KKKSPGEYVNIEFG as substrate
50009787	48	ChEMBL_1922041 (CHEMBL4424886)	Inhibition of full-length human N-terminal His6-tagged IKKbeta expressed in baculovirus infected Sf21 insect cells using IKKtide as substrate
50009787	49	ChEMBL_1922044 (CHEMBL4424889)	Inhibition of human N-terminal His-tagged KDR (790 to end residues) expressed in baculovirus infected Sf21 insect cells using myelin basic protein as substrate
50009787	50	ChEMBL_1922027 (CHEMBL4424872)	Inhibition of recombinant full-length human N-terminal His6-tagged AuroraA expressed in baculovirus infected Sf21 insect cells using Kemptide as substrate
50009787	51	ChEMBL_1922052 (CHEMBL4424897)	Inhibition of human full-length N-terminal His-tagged p70S6K expressed in baculovirus infected Sf21 insect cells using CKRRRLASLR as substrate
50009787	52	ChEMBL_1922066 (CHEMBL4424911)	Inhibition of human full-length N-terminal GST-tagged SAPK3 expressed in Escherichia coli using MBP as substrate
50009787	53	ChEMBL_1922070 (CHEMBL4424915)	Inhibition of human full-length C-terminal His6-tagged ZAP70 expressed in baculovirus infected Sf21 insect cells using Poly (Glu4-Tyr) (4:1) as substrate
50009792	1	ChEMBL_1922072 (CHEMBL4424917)	Inhibition of recombinant human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 5 mins by Ellman's method
50009792	2	ChEMBL_1922071 (CHEMBL4424916)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 5 mins by Ellman's method
50009793	1	ChEMBL_1922092 (CHEMBL4424937)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50009793	2	ChEMBL_1922093 (CHEMBL4424938)	Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method
50009794	1	ChEMBL_1922137 (CHEMBL4424982)	Inhibition of recombinant human NAAA expressed in HEK293 cells using [14C]-N-palmitoylethanolamine as substrate measured after 30 mins by beta-counting method
50009794	2	ChEMBL_1922128 (CHEMBL4424973)	Inhibition of recombinant human DAGLalpha expressed in COS7 cells using [14C]-oleoyl-2-arachidonoyl-glycerol as substrate measured after 20 mins by beta-counting method
50009794	3	ChEMBL_1922124 (CHEMBL4424969)	Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 mins by scintillation counting method
50009794	4	ChEMBL_1922142 (CHEMBL4424987)	Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in HEK293-EBNA cell membranes after 90 mins by scintillation counting method
50009794	5	ChEMBL_1922145 (CHEMBL4424990)	Displacement of [3H]-CP55940 from CB1 receptor in rat spleen membranes after 60 mins by scintillation counting method
50009794	6	ChEMBL_1922147 (CHEMBL4424992)	Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumarin as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50009794	7	ChEMBL_1922154 (CHEMBL4424999)	Displacement of NBD-Stearate from recombinant human FABP5 measured after 30 mins by fluorescence polarization assay
50009794	8	ChEMBL_1922134 (CHEMBL4424979)	Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method
50009794	9	ChEMBL_1922127 (CHEMBL4424972)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method
50009794	10	ChEMBL_1922125 (CHEMBL4424970)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in Sf9 cell membranes co-expressing Galphai3beta1gamma2 measured after 90 mins by scintillation counting method
50009794	11	ChEMBL_1922123 (CHEMBL4424968)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in HEK293 cell membranes measured after 90 mins
50009794	12	ChEMBL_1922143 (CHEMBL4424988)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50009794	13	ChEMBL_1922146 (CHEMBL4424991)	Displacement of [3H]-CP55940 from CB2 receptor in mouse spleen membranes after 60 mins by scintillation counting method
50009794	14	ChEMBL_1922149 (CHEMBL4424994)	Inhibition of FAAH in human U937 cell homogenates using [14C]-AEA as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by liquid scintillation counting method
50009794	15	ChEMBL_1922151 (CHEMBL4424996)	Inhibition of MAGL in human U937 cell homogenates using [3H]-2OG as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by liquid scintillation counting method
50009794	16	ChEMBL_1922152 (CHEMBL4424997)	Displacement of [3H]-CP55940 from recombinant human CB1 receptor measured after 2 hrs by liquid scintillation counting method
50009794	17	ChEMBL_1922153 (CHEMBL4424998)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor measured after 2 hrs by liquid scintillation counting method
50009794	18	ChEMBL_1922155 (CHEMBL4425000)	Displacement of [3H]-CP55940 from CB1 receptor (unknown origin)
50009794	19	ChEMBL_1922156 (CHEMBL4425001)	Displacement of [3H]-CP55940 from CB2 receptor (unknown origin)
50009794	20	ChEMBL_1922144 (CHEMBL4424989)	Displacement of [3H]-CP55940 from recombinant CB2 receptor (unknown origin) expressed in cell membranes after 90 mins by scintillation counting method
50009794	21	ChEMBL_1922126 (CHEMBL4424971)	Displacement of [3H]-CP55940 from CB1 receptor in mouse whole brain membrane measured after 60 mins by liquid scintillation counting method
50009795	1	ChEMBL_1922171 (CHEMBL4425016)	Binding affinity to recombinant human HSP90 alpha by Surface plasmon resonance analysis
50009797	1	ChEMBL_1922230 (CHEMBL4425075)	Inhibition of P-gp in doxorubicin-resistant human MCF7/ADR cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 incubated for 48 hrs by MTT assay (Rvb = doxorubicin alone = 64.8 +/- 2.1 uM)
50009798	1	ChEMBL_1922246 (CHEMBL4425202)	Antagonist activity at FLAP in human PMNC assessed as inhibition of A23187-induced LTB4 biosynthesis pre-incubated for 2 mins followed by addition of A23187 measured after 5 mins by radioimmunoassay
50009798	2	ChEMBL_1922242 (CHEMBL4425198)	Inhibition of mPGES-1 in human whole blood cells assessed as PEG2 formation by LC/MS analysis
50009798	3	ChEMBL_1922247 (CHEMBL4425203)	Inhibition of ovine COX-1 assessed as 12-HHT formation preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 5 mins by HPLC analysis
50009798	4	ChEMBL_1922243 (CHEMBL4425199)	Inhibition of mPGES-1 in human A549 cells assessed as PGE2-alpha formation preincubated for 60 mins prior to IL-beta stimulation measured after 24 hrs by EIA
50009798	5	ChEMBL_1922248 (CHEMBL4425204)	Inhibition of mPGES-1 in human A549 cells assessed as PEG2 formation preincubated for 30 mins followed by recombinant human interleukin 1beta addition measured after 18 hrs by LC/MS analysis
50009798	6	ChEMBL_1922244 (CHEMBL4425200)	Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by addition of substrate measured after 60 secs by HTRF assay
50009799	1	ChEMBL_1922299 (CHEMBL4425255)	Inhibition of imatinib-resistant PDGFR D842V mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50009799	2	ChEMBL_1922293 (CHEMBL4425249)	Inhibition of imatinib-resistant BCR-ABL T315I mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion assay
50009799	3	ChEMBL_1922292 (CHEMBL4425248)	Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion assay
50009799	4	ChEMBL_1922274 (CHEMBL4425230)	Inhibition of Hsp90 in human MG63 cells
50009799	5	ChEMBL_1922276 (CHEMBL4425232)	Inhibition of Hsp90 in human SKBR3 cells
50009799	6	ChEMBL_1922275 (CHEMBL4425231)	Inhibition of Hsp90 in human MM1S cells by BODIPY-AG fluorescence polarization assay
50009800	1	ChEMBL_1922305 (CHEMBL4425261)	Binding affinity to wild type partial length human EGFR expressed in bacterial system by KINOMEscan assay
50009800	2	ChEMBL_1922306 (CHEMBL4425262)	Binding affinity to partial length human EGFR L858R/T790M double mutant expressed in mammalian system by KINOMEscan assay
50009800	3	ChEMBL_1922313 (CHEMBL4425269)	Inhibition of gefitinib-resistant human GST-tagged EGFR L858R/T790M double mutant using pEY (4:1)/biotinylated pEY as substrate after 30 mins by ELISA
50009800	4	ChEMBL_1922311 (CHEMBL4425267)	Inhibition of human wild type GST-tagged EGFR kinase domain expressed in insect Sf9 cells using pEY (4:1)/biotinylated pEY as substrate after 30 mins by ELISA
50009802	1	ChEMBL_1922325 (CHEMBL4425281)	Activation of human TRPA1 expressed in HEK293 cells assessed as increase in calcium level by fluo-4 dye based plate reader analysis
50009803	1	ChEMBL_1922360 (CHEMBL4425316)	Inhibition of human His-tagged PDE4B catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method
50009803	2	ChEMBL_1922368 (CHEMBL4425324)	Inhibition of human His-tagged PDE5A catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method
50009803	3	ChEMBL_1922364 (CHEMBL4425320)	Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP or [3H]cGMP as substrate incubated for 30 mins by scintillation counting method
50009803	4	ChEMBL_1922356 (CHEMBL4425312)	Inhibition of human N-terminal His6-tagged PDE4B1 catalytic domain (324 to 691 residues) expressed in baculovirus infected sf9 cells using cAMP as substrate preincubated for 15 mins followed by substrate addition measured for 10 mins in presence of NADH by fluorescence plate reader analysis
50009803	5	ChEMBL_1922374 (CHEMBL4425330)	Inhibition of recombinant human His6-tagged PDE5A (535 to 786 residues)/PDE6C expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP as substrate
50009803	6	ChEMBL_1922348 (CHEMBL4425304)	Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cells
50009803	7	ChEMBL_1922379 (CHEMBL4425335)	Inhibition of human N-terminal His6-tagged PDE10A2 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cGMP as substrate by colorimetric assay
50009803	8	ChEMBL_1922380 (CHEMBL4425336)	Inhibition of N-terminal His6-tagged Trypanosoma cruzi 427 PDEC catalytic domain (270 to 614 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	9	ChEMBL_1922362 (CHEMBL4425318)	Inhibition of recombinant human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	10	ChEMBL_1922359 (CHEMBL4425315)	Inhibition of human PDE4B catalytic domain (152 to 528 residues)
50009803	11	ChEMBL_1922358 (CHEMBL4425314)	Inhibition of human PDE4B1 expressed in baculovirus infected sf9 cells incubated for 30 mins
50009803	12	ChEMBL_1922355 (CHEMBL4425311)	Inhibition of recombinant human PDE4B catalytic domain expressed in baculovirus infected sf9 cells using cAMP as substrate
50009803	13	ChEMBL_1922352 (CHEMBL4425308)	Inhibition of human N-terminal His6-tagged PDE4A10 catalytic domain expressed in Escherichia coli BL21(DE3) RIL cells using 3',5'-cAMP as substrate by colorimetric assay
50009803	14	ChEMBL_1922351 (CHEMBL4425307)	Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cells
50009803	15	ChEMBL_1922349 (CHEMBL4425305)	Inhibition of human PDE2A
50009803	16	ChEMBL_1922376 (CHEMBL4425332)	Inhibition of recombinant human PDE7A1 catalytic domain (130 to 482 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	17	ChEMBL_1922375 (CHEMBL4425331)	Inhibition of recombinant PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	18	ChEMBL_1922373 (CHEMBL4425329)	Inhibition of recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	19	ChEMBL_1922371 (CHEMBL4425327)	Inhibition of recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	20	ChEMBL_1922370 (CHEMBL4425326)	Inhibition of human PDE5A
50009803	21	ChEMBL_1922369 (CHEMBL4425325)	Inhibition of PDE5A (unknown origin)
50009803	22	ChEMBL_1922367 (CHEMBL4425323)	Inhibition of PDE4D (unknown origin)
50009803	23	ChEMBL_1922365 (CHEMBL4425321)	Inhibition of human PDE4D2 catalytic domain (79 to 438 residues) Escherichia coli BL21-CodonPlus(DE3) cells
50009803	24	ChEMBL_1922377 (CHEMBL4425333)	Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	25	ChEMBL_1922372 (CHEMBL4425328)	Inhibition of recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells
50009803	26	ChEMBL_1922378 (CHEMBL4425334)	Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]cAMP as substrate incubated for 30 mins by liquid scintillation counting method
50009803	27	ChEMBL_1922366 (CHEMBL4425322)	Inhibition of human GST-tagged PDE4D catalytic domain (183T to 510S residues) expressed in Escherichia coli cells
50009803	28	ChEMBL_1922361 (CHEMBL4425317)	Inhibition of human N-terminal His6-tagged C-terminal FLAG-tagged PDE4B2 expressed in baculovirus infected sf9 cells using cAMP as substrate by microplate reader analysis
50009803	29	ChEMBL_1922354 (CHEMBL4425310)	Inhibition of recombinant human PDE4B2 catalytic domain (152 to 487 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	30	ChEMBL_1922350 (CHEMBL4425306)	Inhibition of human His-tagged PDE2A catalytic domain (578 to 919 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using cGMP as substrate by HTRF assay
50009803	31	ChEMBL_1922353 (CHEMBL4425309)	Inhibition of recombinant human PDE4A10 catalytic domain (290 to 622 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009803	32	ChEMBL_1922357 (CHEMBL4425313)	Inhibition of Leishmania major PDEB1 catalytic domain (582 to 940 residues) expressed in Escherichia coli BL21-CodonPlus cells using [3H]cGMP or [3H]cAMP as substrate incubated for 15 mins by liquid scintillation counting method
50009804	1	ChEMBL_1922388 (CHEMBL4425344)	Competitive inhibition of N-terminal His-tagged human recombinant sEH expressed in insect Sf21 cells using Epoxy Fluor 7 as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by fluorescent intensity assay
50009804	2	ChEMBL_1922383 (CHEMBL4425339)	Inhibition of p38 MAPK (unknown origin)
50009804	3	ChEMBL_1922384 (CHEMBL4425340)	Inhibition of chicken Src kinase domain using AEEEIYGEFAKKK as substrate by continuous spectrophotometric assay
50009804	4	ChEMBL_1922387 (CHEMBL4425343)	Inhibition of IDE (unknown origin) assessed as cleavage of Mca-RPPGFSAFK(Dnp)-OH by fluorescence assay
50009804	5	ChEMBL_1922393 (CHEMBL4425349)	Binding affinity to human IL-2 measured over 30 mins by fluorescence polarization assay
50009804	6	ChEMBL_1922394 (CHEMBL4425350)	Binding affinity to human Bcl-xL after 1 hr by fluorescence polarization assay
50009804	7	ChEMBL_1922381 (CHEMBL4425337)	Inhibition of human recombinant RIP3 (2 to 328 residues) expressed in baculovirus by ADP-glo assay
50009804	8	ChEMBL_1922382 (CHEMBL4425338)	Inhibition of aurora A kinase (unknown origin)
50009804	9	ChEMBL_1922386 (CHEMBL4425342)	Inhibition of human Wip1 (2 to 420 residues) expressed in baculovirus-infected insect SF9 cells assessed as fluorescein diphosphate hydrolysis after 5 mins by fluorescence assay
50009804	10	ChEMBL_1922391 (CHEMBL4425347)	Displacement of GSK215 from full length PAD4 (unknown origin) after 50 mins by fluorescence polarization assay in absence of calcium
50009804	11	ChEMBL_1922385 (CHEMBL4425341)	Inhibition of human PDE12 (17 to 609 residues) expresssed in Escherichia coli BL21(DE3) cells using 2-5A as substrate assessed as AMP monomers and ATP formation after 30 mins by AMP-Glo assay
50009804	12	ChEMBL_1922389 (CHEMBL4425345)	Inhibition of human recombinant sEH using 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid as substrate assessed as formation of 14,15-dihydroxy-5Z,8Z,11Zeicosatrienoic acid preincubated for 2 hrs followed by substrate addition measured after 1 hr by LC/MS method
50009806	1	ChEMBL_1922569 (CHEMBL4425525)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accumulation assay
50009806	2	ChEMBL_1922571 (CHEMBL4425527)	Inhibition of ABCB1 in human A2780adr cells preincubated for 30 mins before calcein AM addition by calcein AM assay
50009806	3	ChEMBL_1922572 (CHEMBL4425528)	Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins before calcein AM addition by calcein AM assay
50009806	4	ChEMBL_1922570 (CHEMBL4425526)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Pheophorbide A addition by Pheophorbide A assay
50009806	5	ChEMBL_1922579 (CHEMBL4425535)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells assessed as enhancement of SN-38-induced cytotoxicity incubated for 72 hrs by MTT assay
50009806	6	ChEMBL_1922580 (CHEMBL4425536)	Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells assessed as enhancement of Hoechst 33342-induced cytotoxicity incubated for 72 hrs by MTT assay
50009807	1	ChEMBL_1922591 (CHEMBL4425547)	Binding affinity to Staphylococcus aureus FabF C165Q mutant expressed in Escherichia coli BL21 (DE3) PlysS cells by intrinsic tryptophan fluorescence quenching-based fluorimetric method
50009807	2	ChEMBL_1922590 (CHEMBL4425546)	Binding affinity to Staphylococcus aureus wild type FabF expressed in Escherichia coli BL21 (DE3) PlysS cells by intrinsic tryptophan fluorescence quenching-based fluorimetric method
50009811	1	ChEMBL_1922600 (CHEMBL4425556)	Inhibition of human ADAMTS4 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay
50009811	2	ChEMBL_1922601 (CHEMBL4425557)	Inhibition of human ADAMTS5 using 43-mer VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate measured after 3 hrs by AlphaScreen assay
50009811	3	ChEMBL_1922602 (CHEMBL4425558)	Inhibition of human ADAMTS5 using 43-mer-VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG as substrate in presence of Lewis rat plasma measured after 3 hrs by AlphaScreen assay
50009811	4	ChEMBL_1922604 (CHEMBL4425560)	Inhibition of human MMP2 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	5	ChEMBL_1922605 (CHEMBL4425561)	Inhibition of human MMP3 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	6	ChEMBL_1922606 (CHEMBL4425562)	Inhibition of human MMP7 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	7	ChEMBL_1922607 (CHEMBL4425563)	Inhibition of human MMP9 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	8	ChEMBL_1922609 (CHEMBL4425565)	Inhibition of human MMP14 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	9	ChEMBL_1922610 (CHEMBL4425566)	Inhibition of human TACE using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	10	ChEMBL_1922603 (CHEMBL4425559)	Inhibition of human MMP1 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009811	11	ChEMBL_1922608 (CHEMBL4425564)	Inhibition of human MMP13 using Mca-PQGL-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-AR-OH as substrate measured after 2 to 4 hrs by fluorescence analysis
50009812	1	ChEMBL_1922845 (CHEMBL4425801)	Binding affinity to recombinant GST-tagged mouse SPSB2 (12 to 224 residues) expressed in Escherichia coli BL21 (DE3) by ITC method
50009812	2	ChEMBL_1922843 (CHEMBL4425799)	Binding affinity to recombinant GST-tagged mouse SPSB2 (12 to 224 residues) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50009813	1	ChEMBL_1922853 (CHEMBL4425809)	Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate preincubated for 1 hr measured after 2 hrs in presence of ATP by FRET-based Z'-Lyte assay
50009813	2	ChEMBL_1922852 (CHEMBL4425808)	Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT as substrate preincubated for 1 hr measured after 1 hr in presence of ATP by TR-FRET LanthaScreen assay
50009813	3	ChEMBL_1922873 (CHEMBL4425829)	Binding affinity to wild type human partial length CDK11 (1 to 360 residues) expressed in bacterial expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	4	ChEMBL_1922876 (CHEMBL4425832)	Binding affinity to wild type human partial length TRKA (475 to 790 residues) expressed in mammalian expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	5	ChEMBL_1922854 (CHEMBL4425810)	Inhibition of human recombinant GST-tagged DDR2 expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT as substrate preincubated for 1 hr measured after 1 hr in presence of ATP by lance ultra kinase assay
50009813	6	ChEMBL_1922872 (CHEMBL4425828)	Binding affinity to wild type human partial length DDR1 (565 to 876 residues) expressed in bacterial expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	7	ChEMBL_1922874 (CHEMBL4425830)	Binding affinity to wild type human partial length EPHA8 (608 to 920 residues) expressed in bacterial expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	8	ChEMBL_1922878 (CHEMBL4425834)	Binding affinity to wild type human partial length TRKC (531 to 825 residues) expressed in mammalian expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	9	ChEMBL_1922875 (CHEMBL4425831)	Binding affinity to wild type human partial length MUSK (553 to 869 residues) expressed in bacterial expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009813	10	ChEMBL_1922877 (CHEMBL4425833)	Binding affinity to wild type human partial length TRKB (547 to 838 residues) expressed in mammalian expression system preincubated for 1 hr measured after 30 mins by qPCR method
50009815	1	ChEMBL_1922897 (CHEMBL4425853)	Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay
50009815	2	ChEMBL_1922895 (CHEMBL4425851)	Inhibition of recombinant His-tagged TAF1 isoform-1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay
50009815	3	ChEMBL_1922892 (CHEMBL4425848)	Displacement of biotinylated JQ1 analog from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay
50009815	4	ChEMBL_1922891 (CHEMBL4425847)	Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay
50009815	5	ChEMBL_1922913 (CHEMBL4425869)	Binding affinity to human partial length BAZ2A expressed in bacterial expression system by BROMOscan assay
50009815	6	ChEMBL_1922914 (CHEMBL4425870)	Binding affinity to human partial length TRIM24 expressed in bacterial expression system by BROMOscan assay
50009815	7	ChEMBL_1922890 (CHEMBL4425846)	Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay
50009815	8	ChEMBL_1922915 (CHEMBL4425871)	Binding affinity to human partial length EP300 expressed in bacterial expression system by BROMOscan assay
50009815	9	ChEMBL_1922916 (CHEMBL4425872)	Binding affinity to human partial length BAZ2B expressed in bacterial expression system by BROMOscan assay
50009815	10	ChEMBL_1922919 (CHEMBL4425875)	Binding affinity to human partial length SMARCA4 expressed in bacterial expression system by BROMOscan assay
50009815	11	ChEMBL_1922896 (CHEMBL4425852)	Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay
50009815	12	ChEMBL_1922894 (CHEMBL4425850)	Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay
50009815	13	ChEMBL_1922893 (CHEMBL4425849)	Displacement of biotinylated JQ1 analog from recombinant His-tagged BRPF1 (unknown origin) incubated for 10 mins by TR-FRET assay
50009815	14	ChEMBL_1922917 (CHEMBL4425873)	Binding affinity to human partial length PBRM1(2) expressed in bacterial expression system by BROMOscan assay
50009815	15	ChEMBL_1922918 (CHEMBL4425874)	Binding affinity to human partial length SMARCA2 expressed in bacterial expression system by BROMOscan assay
50009816	1	ChEMBL_1922920 (CHEMBL4425876)	Inhibition of recombinant NAMPT (unknown origin) using nicotinamide as substrate measured every 5 mins for 30 mins in presence of recombinant NMNAT1
50009816	2	ChEMBL_1922926 (CHEMBL4425882)	Inhibition of NAMPT in human MCF7 cells assessed as decrease in NAD production after 24 hrs by NAD/NADH Glo assay
50009817	1	ChEMBL_1922955 (CHEMBL4425911)	Inhibition of ERK1 (unknown origin)
50009817	2	ChEMBL_1922956 (CHEMBL4425912)	Inhibition of ERK2 (unknown origin)
50009817	3	ChEMBL_1922952 (CHEMBL4425908)	Inhibition of CYP3A4 (unknown origin)
50009818	1	ChEMBL_1923009 (CHEMBL4425965)	Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintillation counting
50009818	2	ChEMBL_1923008 (CHEMBL4425964)	Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting
50009820	1	ChEMBL_1923013 (CHEMBL4425969)	Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay
50009820	2	ChEMBL_1923011 (CHEMBL4425967)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay
50009820	3	ChEMBL_1923014 (CHEMBL4425970)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay
50009820	4	ChEMBL_1923012 (CHEMBL4425968)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
50009822	1	ChEMBL_1923025 (CHEMBL4425981)	Competitive inhibition of [14C]-L-leucine uptake at LAT1 in human MCF7 cells preincubated for 5 mins followed by addition of substrate measured during 5 mins by liquid scintillation counting
50009822	2	ChEMBL_1923023 (CHEMBL4425979)	Inhibition of [14C]-L-leucine uptake at LAT1 in human YD-38 cells after 1 hr by liquid scintillation counting
50009822	3	ChEMBL_1923022 (CHEMBL4425978)	Inhibition of [14C]-L-leucine uptake at LAT1 in human HT-29 cells after 1 hr by liquid scintillation counting
50009823	1	ChEMBL_1923114 (CHEMBL4426070)	Inhibition of human activated Protein C using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis
50009823	2	ChEMBL_1923126 (CHEMBL4426082)	Inhibition of porcine trypsin using Mes-DArg-Gly-Arg-AMC as substrate by Dixon plot analysis
50009823	3	ChEMBL_1923121 (CHEMBL4426077)	Inhibition of human plasmin using Mes-DSer(Bzl)-Phe-Arg-AMC as substrate by Dixon plot analysis
50009823	4	ChEMBL_1923122 (CHEMBL4426078)	Inhibition of human plasma kallikrein using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis
50009823	5	ChEMBL_1923123 (CHEMBL4426079)	Inhibition of bovine thrombin using Tos-Gly-Pro-Arg-AMC as substrate by Dixon plot analysis
50009823	6	ChEMBL_1923124 (CHEMBL4426080)	Inhibition of human f10a using Mes-DArg-Pro-Arg-AMC as substrate by Dixon plot analysis
50009823	7	ChEMBL_1923119 (CHEMBL4426075)	Binding affinity to human plasmin assessed as slow binding constant in presence of Mes-DArg-Phe-Arg-AMC after 20 mins by Dixon plot analysis
50009823	8	ChEMBL_1923131 (CHEMBL4426087)	Inhibition of activated Protein C (unknown origin)
50009823	9	ChEMBL_1923130 (CHEMBL4426086)	Inhibition of human f10a using pefachrome as substrate by spectrophotometric method
50009823	10	ChEMBL_1923120 (CHEMBL4426076)	Inhibition of human plasmin using chromozyme PL as substrate by spectrophotometric method
50009823	11	ChEMBL_1923129 (CHEMBL4426085)	Inhibition of human thrombin using pefachrom tPA as substrate by spectrophotometric method
50009823	12	ChEMBL_1923132 (CHEMBL4426088)	Inhibition of trypsin (unknown origin)
50009823	13	ChEMBL_1923134 (CHEMBL4426090)	Inhibition of human f10a
50009823	14	ChEMBL_1923128 (CHEMBL4426084)	Inhibition of human plasma kallikrein using S2302 as substrate by spectrophotometric method
50009823	15	ChEMBL_1923133 (CHEMBL4426089)	Inhibition of human f11a using pefachrome PCa as substrate by spectrophotometric method
50009824	1	ChEMBL_1923148 (CHEMBL4426104)	Displacement of [Lys2(sCy5),Arg4]-BVD-15 from C-terminal GFP-tagged neuropeptide Y4R (unknown origin) expressed in human 293TR cells measured after 30 mins by fluorescence analysis
50009824	2	ChEMBL_1923152 (CHEMBL4426108)	Agonist activity at GFP-tagged neuropeptide Y4R (unknown origin) expressed in HEK293T cells assessed as beta-arrestin2 recruitment measured after 60 mins by H33342 staining-based imaging method
50009824	3	ChEMBL_1923150 (CHEMBL4426106)	Agonist activity at GFP-tagged neuropeptide Y1R (unknown origin) expressed in HEK293T cells assessed as beta-arrestin2 recruitment measured after 60 mins by H33342 staining-based imaging method
50009824	4	ChEMBL_1923154 (CHEMBL4426110)	Displacement of Mono-sCy5-(2R,7R)-Diaminooctanedioyl-bis(Tyr-Arg-Leu-ArgTyr-amide) from C-terminal GFP-tagged neuropeptide Y4R (unknown origin) expressed in human 293TR cells measured after 30 mins by fluorescence analysis
50009825	1	ChEMBL_1923157 (CHEMBL4426113)	Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
50009825	2	ChEMBL_1923160 (CHEMBL4426116)	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay
50009825	3	ChEMBL_1923159 (CHEMBL4426115)	Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay
50009825	4	ChEMBL_1923158 (CHEMBL4426114)	Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay
50009825	5	ChEMBL_1923156 (CHEMBL4426112)	Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay
50009825	6	ChEMBL_1923162 (CHEMBL4426118)	Inhibition of carbonic anhydrase 9 in human HT-29 cells assessed as reduction in cell viability in presence of CoCl2-induced hypoxic conditions after 72 hrs by cell counter method
50009826	1	ChEMBL_1923180 (CHEMBL4426136)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method
50009826	2	ChEMBL_1923181 (CHEMBL4426137)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50009826	3	ChEMBL_1923192 (CHEMBL4426148)	Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation after 60 mins by HTRF assay
50009826	4	ChEMBL_1923185 (CHEMBL4426141)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometric method
50009826	5	ChEMBL_1923193 (CHEMBL4426149)	Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid scintillation spectrometric method
50009826	6	ChEMBL_1923194 (CHEMBL4426150)	Agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid scintillation spectrometric method
50009826	7	ChEMBL_1923184 (CHEMBL4426140)	Displacement of [3H]HU-243 from rat CB2 receptor expressed in African green monkey COS7 cell membranes after 90 mins
50009827	1	ChEMBL_1923201 (CHEMBL4426157)	Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay
50009827	2	ChEMBL_1923200 (CHEMBL4426156)	Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay
50009827	3	ChEMBL_1923205 (CHEMBL4426161)	Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins
50009827	4	ChEMBL_1923204 (CHEMBL4426160)	Displacement of [3H]-WIN35428 from human DAT expressed in HEK293 cells measured after 30 mins
50009827	5	ChEMBL_1923206 (CHEMBL4426162)	Displacement of [3H]citalopram from human SERT expressed in HEK293 cells measured after 30 mins
50009827	6	ChEMBL_1923240 (CHEMBL4426196)	Binding affinity to sigma 2 receptor (unknown origin)
50009827	7	ChEMBL_1923241 (CHEMBL4426197)	Binding affinity to sigma 1 receptor (unknown origin)
50009829	1	ChEMBL_1923243 (CHEMBL4426199)	Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
50009829	2	ChEMBL_1923242 (CHEMBL4426198)	Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
50009829	3	ChEMBL_1923245 (CHEMBL4426201)	Agonist activity at human S1P3 receptor expressed in HEK293T cell co-expressing G-alpha15-BLA measured after 45 mins by [35S]GTP-gammaS binding assay
50009829	4	ChEMBL_1923311 (CHEMBL4426267)	Inhibition of human ERG by patch clamp method
50009829	5	ChEMBL_1923319 (CHEMBL4426275)	Inhibition of CYP3A4 (unknown origin)
50009829	6	ChEMBL_1923254 (CHEMBL4426210)	Agonist activity at S1P4 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay
50009829	7	ChEMBL_1923263 (CHEMBL4426219)	Agonist activity at S1P5 receptor (unknown origin) measured after 45 mins by [35S]GTP-gammaS binding assay
50009829	8	ChEMBL_1923328 (CHEMBL4426284)	Agonist activity at C-terminal GFP-fused human S1P1 receptor expressed in CHO cells assessed as receptor internalization after 50 mins
50009829	9	ChEMBL_1923314 (CHEMBL4426270)	Inhibition of CYP1A2 (unknown origin)
50009829	10	ChEMBL_1923317 (CHEMBL4426273)	Inhibition of CYP2C19 (unknown origin)
50009829	11	ChEMBL_1923318 (CHEMBL4426274)	Inhibition of CYP2D6 (unknown origin)
50009829	12	ChEMBL_1923316 (CHEMBL4426272)	Inhibition of CYP2C9 (unknown origin)
50009829	13	ChEMBL_1923320 (CHEMBL4426276)	Inhibition of CYP2C8 (unknown origin)
50009829	14	ChEMBL_1923315 (CHEMBL4426271)	Inhibition of CYP2B6 (unknown origin)
50009830	1	ChEMBL_1923341 (CHEMBL4426297)	Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting
50009831	1	ChEMBL_1923353 (CHEMBL4426309)	Displacement of radioligand from ETA receptor (unknown origin) expressed in fall armyworm sf9 cell membranes
50009831	2	ChEMBL_1923354 (CHEMBL4426310)	Displacement of radioligand from ETB receptor in human placenta cell membranes
50009831	3	ChEMBL_1923367 (CHEMBL4426323)	Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting
50009831	4	ChEMBL_1923368 (CHEMBL4426324)	Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting
50009831	5	ChEMBL_1923357 (CHEMBL4426313)	Displacement of 125I-ET1 from ETA receptor (unknown origin) expressed in CHO cells
50009831	6	ChEMBL_1923362 (CHEMBL4426318)	Displacement of 125I-ET1 from ETA receptor in rat A7R5 cells
50009831	7	ChEMBL_1923365 (CHEMBL4426321)	Antagonist activity at ETA receptor (unknown origin)
50009831	8	ChEMBL_1923366 (CHEMBL4426322)	Antagonist activity at ETB receptor (unknown origin)
50009831	9	ChEMBL_1923364 (CHEMBL4426320)	Antagonist activity at human ETB receptor expressed in CHO cells in presence of ET1
50009831	10	ChEMBL_1923351 (CHEMBL4426307)	Displacement of 125I-ET1 from human placenta cell membrane ETA receptor expressed in Baculovirus-infected insect cells
50009831	11	ChEMBL_1923361 (CHEMBL4426317)	Displacement of 125I-ET1 from human placenta ETB receptor
50009831	12	ChEMBL_1923356 (CHEMBL4426312)	Displacement of 125I-ET1 from human smooth muscle ETA receptor expressed in fall armyworm sf9 cell membranes
50009831	13	ChEMBL_1923352 (CHEMBL4426308)	Displacement of 125I-ET1 from rat aortic ring ETB receptor
50009831	14	ChEMBL_1923358 (CHEMBL4426314)	Antagonist activity at ETA receptor (unknown origin) in presence of ET1
50009831	15	ChEMBL_1923359 (CHEMBL4426315)	Antagonist activity at ETB receptor (unknown origin) in presence of ET1
50009831	16	ChEMBL_1923363 (CHEMBL4426319)	Displacement of 125I-ET1 from pig ETB receptor transfected in grivet COS7 cells
50009831	17	ChEMBL_1923369 (CHEMBL4426325)	Antagonist activity at human ETA receptor expressed in CHO cells in presence of ET1
50009831	18	ChEMBL_1923370 (CHEMBL4426326)	Displacement of [125I]-ET1 from ETA receptor in A10 rat thoracic aorta smooth muscle after 3 hrs by scintillation counting method
50009831	19	ChEMBL_1923376 (CHEMBL4426332)	Displacement of [125I]-ET1 from ETB receptor in rat cerebellum after 3 hrs by scintillation counting method
50009831	20	ChEMBL_1923360 (CHEMBL4426316)	Displacement of 125I-ET1 from human smooth muscle ETA receptor
50009832	1	ChEMBL_1923378 (CHEMBL4426334)	Inhibition of TRPC5 (unknown origin) transfected in HEK293/TREx cells assessed as blocking of inward/outward currents after 20 to 48 hrs in presence of LaCl3 by patch clamp assay
50009833	1	ChEMBL_1923386 (CHEMBL4426342)	Inhibition of CDK8 in IFN-gamma-induced human HCT116 cells assessed as suppression of STAT1 phosphorylation at serine727 residue incubated for 24 hrs by infrared scanning analysis
50009833	2	ChEMBL_1923379 (CHEMBL4426335)	Displacement of tracer236 from full-length His-tagged CDK8/cyclin C (unknown origin) incubated for 1 hr by TR-FRET analysis
50009835	1	ChEMBL_1923395 (CHEMBL4426351)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation counting
50009835	2	ChEMBL_1923415 (CHEMBL4426371)	Inhibition of human CYP2C9 expressed in supersomes assessed as diclofenac 4'-hydroxylation after 15 mins by HPLC analysis
50009835	3	ChEMBL_1923398 (CHEMBL4426354)	Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells by microbeta liquid scintillation counting
50009835	4	ChEMBL_1923396 (CHEMBL4426352)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells by microbeta liquid scintillation counting
50009835	5	ChEMBL_1923441 (CHEMBL4426397)	Displacement of [3H]Lu AE60157 from rat brain 5-HT6 receptor
50009835	6	ChEMBL_1923442 (CHEMBL4426398)	Inhibition of 5-HT6 receptor (unknown origin)
50009835	7	ChEMBL_1923399 (CHEMBL4426355)	Displacement of [3H]-Raclopride from human D2L receptor expressed in HEK293 cells by microbeta liquid scintillation counting
50009835	8	ChEMBL_1923397 (CHEMBL4426353)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by microbeta liquid scintillation counting
50009835	9	ChEMBL_1923414 (CHEMBL4426370)	Inhibition of human CYP1A2 expressed in supersomes assessed as caffeine 3-N-demethylation after 15 mins by HPLC analysis
50009835	10	ChEMBL_1923417 (CHEMBL4426373)	Inhibition of human CYP2D6 expressed in supersomes assessed as bufuralol 1'-hydroxylation after 15 mins by HPLC analysis
50009835	11	ChEMBL_1923418 (CHEMBL4426374)	Inhibition of human CYP3A4 expressed in supersomes assessed as testosterone 6beta-hydroxylation after 15 mins by HPLC analysis
50009835	12	ChEMBL_1923416 (CHEMBL4426372)	Inhibition of human CYP2C19 expressed in supersomes assessed as perazine N-demethylation after 15 mins by HPLC analysis
50009835	13	ChEMBL_1923413 (CHEMBL4426369)	Displacement of [3H]-methyl-spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation counting
50009836	1	ChEMBL_1923448 (CHEMBL4426404)	Inhibition of recombinant human FGFR1 using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50009836	2	ChEMBL_1923449 (CHEMBL4426405)	Inhibition of recombinant human VEGFR2 using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50009836	3	ChEMBL_1923462 (CHEMBL4426418)	Inhibition of human FGFR3 using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50009836	4	ChEMBL_1923463 (CHEMBL4426419)	Inhibition of human FGFR4 using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50009836	5	ChEMBL_1923461 (CHEMBL4426417)	Inhibition of human FGFR2 using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50009836	6	ChEMBL_1923482 (CHEMBL4426438)	Inhibition of human FGFR1
50009836	7	ChEMBL_1923484 (CHEMBL4426440)	Inhibition of human FGFR3
50009836	8	ChEMBL_1923485 (CHEMBL4426441)	Inhibition of human FGFR4
50009836	9	ChEMBL_1923480 (CHEMBL4426436)	Inhibition of VEGFR2 (unknown origin) overexpressed in mouse NIH/ 3T3 cells incubated for 5 mins followed by stimulation with VEGF for 5 mins by immunoblotting analysis
50009836	10	ChEMBL_1923481 (CHEMBL4426437)	Inhibition of full length human FGFR1 expressed in baculovirus system using poly (Glu,Tyr)4:1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by scintillation counting analysis
50009836	11	ChEMBL_1923483 (CHEMBL4426439)	Inhibition of human FGFR2
50009836	12	ChEMBL_1923486 (CHEMBL4426442)	Inhibition of human VEGFR2
50009837	1	ChEMBL_1923490 (CHEMBL4426446)	Inhibition of human ERG
50009837	2	ChEMBL_1923491 (CHEMBL4426447)	Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay
50009837	3	ChEMBL_1923496 (CHEMBL4426452)	Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay
50009837	4	ChEMBL_1923493 (CHEMBL4426449)	Inhibition of MEK in human A375 cells assessed as inhibition of ERK phosphorylation
50009837	5	ChEMBL_1923489 (CHEMBL4426445)	Inhibition of CYP3A4 (unknown origin)
50009839	1	ChEMBL_1923564 (CHEMBL4426520)	Binding affinity to guinea pig sigma1 receptor by PDSP assay
50009839	2	ChEMBL_1923567 (CHEMBL4426523)	Displacement of 6-Amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)-naphthalen-1-yl)phenyl)piperidin-1-yl)-butyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)-phenyl)-3-iminio-5-sulfo-3H-xanthene-4-sulfonate from human P2Y14R expressed in CHO cells measured after 15 mins by flow cytometric analysis
50009839	3	ChEMBL_1923536 (CHEMBL4426492)	Antagonist activity human P2Y14R expressed in African green monkey COS7 cells assessed as inhibition of UDPG-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	4	ChEMBL_1923541 (CHEMBL4426497)	Antagonist activity human P2Y11R expressed in human 1321N1 cells assessed as inhibition of ATP-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	5	ChEMBL_1923540 (CHEMBL4426496)	Antagonist activity human P2Y6R expressed in human 1321N1 cells assessed as inhibition of UDP-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	6	ChEMBL_1923538 (CHEMBL4426494)	Antagonist activity human P2Y2R expressed in human 1321N1 cells assessed as inhibition of UTP-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	7	ChEMBL_1923560 (CHEMBL4426516)	Binding affinity to rat D3 dopamine receptor expressed in HEK293T cells by PDSP assay
50009839	8	ChEMBL_1923562 (CHEMBL4426518)	Binding affinity to sigma 2 receptor in rat PC3 cells by PDSP assay
50009839	9	ChEMBL_1923563 (CHEMBL4426519)	Binding affinity to human H1 histamine receptor expressed in HEK cells by PDSP assay
50009839	10	ChEMBL_1923543 (CHEMBL4426499)	Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced [3H]cAMP production measured after 15 mins in presence of phosphodiesterase inhibitor IBMX by chromatographic method
50009839	11	ChEMBL_1923537 (CHEMBL4426493)	Antagonist activity human P2Y1R expressed in human 1321N1 cells assessed as inhibition of 2MeSADP-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	12	ChEMBL_1923566 (CHEMBL4426522)	Binding affinity to human alpha2C receptor expressed in MDCK cells by PDSP assay
50009839	13	ChEMBL_1923544 (CHEMBL4426500)	Antagonist activity at human P2Y14R expressed in CHO cells assessed as inhibition of UDPG-mediated reduction of forskolin-induced cAMP production after 15 mins by by competitive enzyme-linked immunoassay
50009839	14	ChEMBL_1923539 (CHEMBL4426495)	Antagonist activity human P2Y4R expressed in human 1321N1 cells assessed as inhibition of UTP-induced [3H]inositol phosphate accumulation after 30 mins by liquid scintillation counting method
50009839	15	ChEMBL_1923561 (CHEMBL4426517)	Binding affinity to human delta opioid receptor expressed in HEK cells by PDSP assay
50009839	16	ChEMBL_1923565 (CHEMBL4426521)	Binding affinity to human alpha2A receptor expressed in MDCK cells by PDSP assay
50009840	1	ChEMBL_1923569 (CHEMBL4426525)	Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay
50009840	2	ChEMBL_1923573 (CHEMBL4426529)	Inhibition of BCRP (unknown origin)
50009841	1	ChEMBL_1923704 (CHEMBL4426660)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by spectrophotometric Ellman's method
50009841	2	ChEMBL_1923705 (CHEMBL4426661)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by spectrophotometric Ellman's method
50009841	3	ChEMBL_1923700 (CHEMBL4426656)	Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mins followed by protein addition measured after 30 mins by fluorescence assay
50009841	4	ChEMBL_1923702 (CHEMBL4426658)	Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mins followed by protein addition measured after 30 mins by fluorescence assay
50009841	5	ChEMBL_1923703 (CHEMBL4426659)	Mixed-type inhibition of electric eel AChE using S-acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured for 5 mins by Lineweaver-Burk plot method
50009842	1	ChEMBL_1923726 (CHEMBL4426682)	Inhibition of human alpha-thrombin using S-2366 as substrate after 40 mins
50009842	2	ChEMBL_1923730 (CHEMBL4426686)	Inhibition of human F10a using S-2765 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins
50009842	3	ChEMBL_1923727 (CHEMBL4426683)	Inhibition of human trypsin 1 using S-2222 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins
50009842	4	ChEMBL_1923723 (CHEMBL4426679)	Inhibition of human CYP3A4
50009842	5	ChEMBL_1923729 (CHEMBL4426685)	Inhibition of human F9a using pefachrome F9a as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins
50009842	6	ChEMBL_1923731 (CHEMBL4426687)	Inhibition of human F11a using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins
50009842	7	ChEMBL_1923732 (CHEMBL4426688)	Inhibition of human plasmin using S-2366 as substrate preincubated for 300 secs followed by substrate addition measured after 40 mins
50009843	1	ChEMBL_1923827 (CHEMBL4426783)	Inhibition of phosphorylated MET in human MKN45 cells assessed as reduction in pMET Y1230/1234/1235 level incubated for 1 hr by ELISA
50009843	2	ChEMBL_1923826 (CHEMBL4426782)	Inhibition of wild type phosphorylated MET (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide addition and measured after 5 mins by HTRF assay
50009843	3	ChEMBL_1923829 (CHEMBL4426785)	Inhibition of phosphorylated MET L1195V mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide addition and measured after 5 mins by HTRF assay
50009843	4	ChEMBL_1923830 (CHEMBL4426786)	Inhibition of phosphorylated MET M1250T mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide addition and measured after 5 mins by HTRF assay
50009843	5	ChEMBL_1923831 (CHEMBL4426787)	Inhibition of phosphorylated MET Y1230H mutant (unknown origin) pre-incubated for 30 mins before biotinylated poly(glutamate-alanine-tyrosine) peptide addition and measured after 5 mins by HTRF assay
50009843	6	ChEMBL_1923835 (CHEMBL4426791)	Inhibition of CDK9 (unknown origin)
50009843	7	ChEMBL_1923841 (CHEMBL4426797)	Inhibition of human recombinant CYP3A4 co-expressed with human P450 reductase and human b5 reductase assessed as reduction in 7-Hydroxyquinoline production using 7-benzyloxyquinoline as substrate and NADPH incubated for 15 mins by fluorimetry
50009843	8	ChEMBL_1923838 (CHEMBL4426794)	Binding affinity to MET (unknown origin) by isothermal titration calorimetry
50009845	1	ChEMBL_1923902 (CHEMBL4426858)	Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method
50009845	2	ChEMBL_1923901 (CHEMBL4426857)	Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method
50009845	3	ChEMBL_1923903 (CHEMBL4426859)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method
50009845	4	ChEMBL_1923906 (CHEMBL4426862)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins
50009845	5	ChEMBL_1923908 (CHEMBL4426864)	Agonist activity at human CB2 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins
50009845	6	ChEMBL_1923929 (CHEMBL4426885)	Binding affinity to rat CB1 receptor
50009845	7	ChEMBL_1923931 (CHEMBL4426887)	Displacement of [3H]CP55940 from human CB2 receptor
50009845	8	ChEMBL_1923930 (CHEMBL4426886)	Binding affinity to mouse CB2 receptor
50009846	1	ChEMBL_1923955 (CHEMBL4426911)	Binding affinity to human SLK
50009846	2	ChEMBL_1923936 (CHEMBL4426892)	Inhibition of human recombinant AXL incubated for 1 to 1.5 hrs by FRET based Z'-Lyte kinase assay
50009846	3	ChEMBL_1923946 (CHEMBL4426902)	Inhibition of DDR2 (unknown origin)
50009846	4	ChEMBL_1923937 (CHEMBL4426893)	Binding affinity to human AXL by active site dependent completion binding assay
50009846	5	ChEMBL_1923947 (CHEMBL4426903)	Binding affinity to human FLT3
50009846	6	ChEMBL_1923938 (CHEMBL4426894)	Binding affinity to human ALK
50009846	7	ChEMBL_1923956 (CHEMBL4426912)	Binding affinity to human TRKA
50009846	8	ChEMBL_1923934 (CHEMBL4426890)	Inhibition of Axl (unknown origin)
50009846	9	ChEMBL_1923935 (CHEMBL4426891)	Inhibition of Met (unknown origin)
50009846	10	ChEMBL_1923958 (CHEMBL4426914)	Binding affinity to human Tyro3
50009846	11	ChEMBL_1923952 (CHEMBL4426908)	Binding affinity to human MEK5
50009846	12	ChEMBL_1923951 (CHEMBL4426907)	Binding affinity to human LOK
50009846	13	ChEMBL_1923949 (CHEMBL4426905)	Binding affinity to human HIPk4
50009846	14	ChEMBL_1923943 (CHEMBL4426899)	Binding affinity to human CDK11
50009846	15	ChEMBL_1923942 (CHEMBL4426898)	Inhibition of aurora B (unknown origin)
50009846	16	ChEMBL_1923940 (CHEMBL4426896)	Binding affinity to human BLK
50009846	17	ChEMBL_1923957 (CHEMBL4426913)	Binding affinity to human TRKB
50009846	18	ChEMBL_1923953 (CHEMBL4426909)	Binding affinity to human MER
50009846	19	ChEMBL_1923948 (CHEMBL4426904)	Inhibition of FLT3 (unknown origin)
50009846	20	ChEMBL_1923941 (CHEMBL4426897)	Inhibition of aurora A (unknown origin)
50009846	21	ChEMBL_1923954 (CHEMBL4426910)	Binding affinity to human MET
50009846	22	ChEMBL_1923950 (CHEMBL4426906)	Binding affinity to human KIT
50009846	23	ChEMBL_1923945 (CHEMBL4426901)	Inhibition of DDR1 (unknown origin)
50009846	24	ChEMBL_1923939 (CHEMBL4426895)	Binding affinity to human AXL
50009846	25	ChEMBL_1923944 (CHEMBL4426900)	Binding affinity to human CDK8
50009847	1	ChEMBL_1923998 (CHEMBL4426954)	Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximity assay
50009847	2	ChEMBL_1923996 (CHEMBL4426952)	Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay
50009847	3	ChEMBL_1923999 (CHEMBL4426955)	Agonist activity at recombinant human 5-HT2B receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay
50009849	1	ChEMBL_1924005 (CHEMBL4426961)	Inhibition of HIV1 protease using Abz-NleF*-6 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluorometric assay
50009850	1	ChEMBL_1924023 (CHEMBL4426979)	Inhibition of HIV1 RT V108I mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 mins followed substarte addition measured after 30 mins by FRET assay
50009850	2	ChEMBL_1924015 (CHEMBL4426971)	Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 mins followed substarte addition measured after 30 mins by FRET assay
50009850	3	ChEMBL_1924017 (CHEMBL4426973)	Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 10 uM nucleotides addition measured after 5 mins by gel-based primer extension assay
50009850	4	ChEMBL_1924024 (CHEMBL4426980)	Inhibition of HIV1 RT E138K using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 mins followed substarte addition measured after 30 mins by FRET assay
50009850	5	ChEMBL_1924018 (CHEMBL4426974)	Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 25 uM nucleotides addition measured after 2 mins by gel-based primer extension assay
50009850	6	ChEMBL_1924021 (CHEMBL4426977)	Inhibition of HIV1 RT K103N mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 mins followed substarte addition measured after 30 mins by FRET assay
50009850	7	ChEMBL_1924026 (CHEMBL4426982)	Inhibition of HIV1 RT Y181C mutant using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 mins followed substarte addition measured after 30 mins by FRET assay
50009850	8	ChEMBL_1924020 (CHEMBL4426976)	Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 0.5 uM nucleotides addition measured after 15 mins by gel-based primer extension assay
50009850	9	ChEMBL_1924019 (CHEMBL4426975)	Inhibition of HIV1 RT using A5'-end 32P-labeled 24-mer primer/a48-mer template preincubated for 5 mins followed by 1 uM nucleotides addition measured after 10 mins by gel-based primer extension assay
50009851	1	ChEMBL_1924030 (CHEMBL4426986)	Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells using [3H]-SAM and biotinylated histone peptides by scintillation proximity based radiometric assay
50009851	2	ChEMBL_1924042 (CHEMBL4426998)	Inhibition of PRMT3 (unknown origin)
50009851	3	ChEMBL_1924031 (CHEMBL4426987)	Inhibition of PRMT6 (unknown origin)
50009851	4	ChEMBL_1924032 (CHEMBL4426988)	Inhibition of PRMT8 (unknown origin)
50009851	5	ChEMBL_1924041 (CHEMBL4426997)	Inhibition of PRMT1 (unknown origin)
50009851	6	ChEMBL_1924043 (CHEMBL4426999)	Inhibition of PRMT5 (unknown origin)
50009851	7	ChEMBL_1924044 (CHEMBL4427000)	Inhibition of PRMT7 (unknown origin)
50009851	8	ChEMBL_1924029 (CHEMBL4426985)	Inhibition of full-length GST-tagged CARM1 (unknown origin) using histone H3 substrate and [3H]SAM by scintillation counting method
50009851	9	ChEMBL_1924039 (CHEMBL4426995)	Binding affinity to full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells by surface plasmon resonance assay
50009852	1	ChEMBL_1924053 (CHEMBL4427009)	Inhibition of human GST-tagged DAGLbeta catalytic domain expressed in HEK293F cell membranes using EnzChek as substrate preincubated for 5 mins followed by substrate addition by fluorogenic surrogate substrate assay
50009852	2	ChEMBL_1924059 (CHEMBL4427015)	Inhibition of V-tagged mouse DAGLbeta expressed in HEK2934T cell membrane fractions using SAG as substrate assessed as accumulation of 2-AG preincubated for 30 mins followed by probe addition measured after 30 mins by LC-MS natural substrate assay
50009852	3	ChEMBL_1924063 (CHEMBL4427019)	Inhibition of human DAGLalpha using DAG as substrate assessed as accumulation of 2-AG
50009852	4	ChEMBL_1924057 (CHEMBL4427013)	Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe addition measured after 30 mins in presence of probe by gel-based ABPP competition assay
50009852	5	ChEMBL_1924051 (CHEMBL4427007)	Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using PNP butyrate as substrate by colorimetric surrogate substrate assay
50009852	6	ChEMBL_1924052 (CHEMBL4427008)	Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using DiFMU-octanoate as substrate by fluorogenic surrogate substrate assay
50009852	7	ChEMBL_1924054 (CHEMBL4427010)	Inhibition of human GST-tagged DAGLalpha expressed in HEK293F cell membranes using 1-stearoyl-2-arachidonoyl-sn-glycerol as substrate preincubated for 20 mins followed by substrate addition by enzyme coupled natural substrate assay
50009852	8	ChEMBL_1924055 (CHEMBL4427011)	Inhibition of full length V5 tagged human DAGLalpha expressed in African green monkey COS7 cells using sn-1-stearoyl-[14C]-arachidonoyl-glycerol as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by radiometric natural substrate assay
50009852	9	ChEMBL_1924058 (CHEMBL4427014)	Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe addition measured after 30 mins in presence of probe by gel-based ABPP competition assay
50009852	10	ChEMBL_1924060 (CHEMBL4427016)	Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as substrate preincubated for 30 mins followed by substrate addition by enzyme coupled natural substrate assay
50009852	11	ChEMBL_1924061 (CHEMBL4427017)	Inhibition of human DAGLalpha expressed in HEK293T cell membrane fractions using PNP butyrate as substrate preincubated for 20 mins followed by substrate addition by colorimetric surrogate substrate assay
50009852	12	ChEMBL_1924062 (CHEMBL4427018)	Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay
50009852	13	ChEMBL_1924064 (CHEMBL4427020)	Antagonist activity at CBR1 (unknown origin)
50009852	14	ChEMBL_1924065 (CHEMBL4427021)	Inhibition of DAGLalpha (unknown origin) by natural substrate assay
50009852	15	ChEMBL_1924056 (CHEMBL4427012)	Inhibition of full length 3' FLAG-tagged mouse DAGLbeta expressed in African green monkey COS7 cells using sn-1-stearoyl-[14C]-arachidonoyl-glycerol as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by radiometric natural substrate assay
50009853	1	ChEMBL_1924066 (CHEMBL4427022)	Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry
50009853	2	ChEMBL_1924067 (CHEMBL4427023)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry
50009854	1	ChEMBL_1924072 (CHEMBL4427028)	Inhibition of EGFR kinase domain L858R/T790M mutant (unknown origin) expressed using baculovirus expression system incubated for 1 hr using Poly(Glu,Tyr) 4:1 by ELISA method
50009854	2	ChEMBL_1924071 (CHEMBL4427027)	Inhibition of wild type EGFR kinase domain (unknown origin) expressed using baculovirus expression system incubated for 1 hr using Poly(Glu,Tyr) 4:1 by ELISA method
50009854	3	ChEMBL_1924078 (CHEMBL4427034)	Inhibition of EGFR kinase domain L858R/T790M mutant (unknown origin) by enzyme kinetic assay
50009854	4	ChEMBL_1924077 (CHEMBL4427033)	Inhibition of wild type EGFR kinase domain (unknown origin) by enzyme kinetic assay
50009855	1	ChEMBL_1924137 (CHEMBL4427093)	Inhibition of papaya papain using Z-FR-AMC fluorogenic peptide substrate preincubated for 5 mins followed by substrate addition
50009855	2	ChEMBL_1924119 (CHEMBL4427075)	Inhibition of Schistosoma mansoni TGR
50009856	1	ChEMBL_1924207 (CHEMBL4427163)	Inhibition of KDM5C (unknown origin)
50009856	2	ChEMBL_1924191 (CHEMBL4427147)	Inhibition of KDM5A (unknown origin)
50009856	3	ChEMBL_1924211 (CHEMBL4427167)	Inhibition of KDM4C (unknown origin)
50009856	4	ChEMBL_1924206 (CHEMBL4427162)	Inhibition of KDM5B (unknown origin)
50009857	1	ChEMBL_1924231 (CHEMBL4427187)	Inhibition of FITC-labeled 9-mer Nrf2 peptide amide binding to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells incubated for 30 mins by fluorescence polarization assay
50009857	2	ChEMBL_1924235 (CHEMBL4427191)	Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells at 0.05 mM by isothermal titration calorimetry
50009857	3	ChEMBL_1924232 (CHEMBL4427188)	Binding affinity to human KEAP1 kelch domain (322 to 609 residues) expressed in Escherichia coli Arctic(DE3) cells by biolayer interferometry method
50009858	1	ChEMBL_1924239 (CHEMBL4427195)	Antagonist activity at human recombinant P2X3 receptor expressed in HEK293-Tet-on cells assessed as alpha,beta-methylene-ATP-stimulated Ca2+ influx by Fluo-4 assay
50009858	2	ChEMBL_1924238 (CHEMBL4427194)	Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincubated for 3 mins followed by alpha,beta-methylene-ATP addition measured after 3 mins by Fluo-4 assay
50009859	1	ChEMBL_1924259 (CHEMBL4427215)	Antagonist activity at human P2X3 receptor expressed in recombinant HEK293 Tet-on cells assessed as inhibition of alpha-beta-methylene-ATP induced calcium release by fluo-4 dye based assay
50009859	2	ChEMBL_1924262 (CHEMBL4427218)	Antagonist activity at human P2X3 receptor expressed in HEK293 Flp-in cells assessed as inhibition of alpha-beta-methylene-ATP induced calcium release preincubated for 10 mins followed by beta-methylene-ATP addition measured at 5 secs interval by fluo-4 dye based FLIPR assay
50009859	3	ChEMBL_1924258 (CHEMBL4427214)	Antagonist activity at human P2X3 receptor expressed in HEK293 cells assessed as inhibition of alpha-beta-methylene-ATP induced calcium release measured at 0.1 to 3 secs interval by fluo-4 dye based FLIPR assay
50009861	1	ChEMBL_1924266 (CHEMBL4427222)	Antagonist activity at rat P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubated for 30 mins measured after 180 seconds by calcium-4 dye based FLIPR assay
50009861	2	ChEMBL_1924271 (CHEMBL4427227)	Inhibition of CYP3A4 (unknown origin)
50009861	3	ChEMBL_1924265 (CHEMBL4427221)	Antagonist activity at human recombinant P2X7 receptor expressed in 1321N1 cells assessed as inhibition of BzATP-induced calcium mobilization incubated for 30 mins measured after 180 seconds by calcium-4 dye based FLIPR assay
50009861	4	ChEMBL_1924278 (CHEMBL4427234)	Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced calcium mobilization incubated for 90 mins in presence of ATP by YO-PRO-1 dye based tetra FLIPR assay
50009861	5	ChEMBL_1924282 (CHEMBL4427238)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced pore formation incubated for 20 mins followed by stimulation with BzATP for 30 mins by YO-PRO dye based fluorescence plate reader method
50009861	6	ChEMBL_1924275 (CHEMBL4427231)	Antagonist activity at P2X7 receptor in human whole blood assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins followed by stimulation with BzATP for 1.5 hrs by ELISA
50009861	7	ChEMBL_1924279 (CHEMBL4427235)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization incubated for 30 mins by Fluo-4 NW dye based tetra FLIPR assay
50009861	8	ChEMBL_1924281 (CHEMBL4427237)	Antagonist activity at human P2X7 receptor expressed in THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 20 mins followed by stimulation with BzATP for 30 mins by sandwich ELISA
50009861	9	ChEMBL_1924280 (CHEMBL4427236)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization monitored for 5 mins followed by stimulation with BzATP measured after 3 mins by Fluo-8 NW dye based tetra FLIPR assay
50009863	1	ChEMBL_1924289 (CHEMBL4427245)	Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as L-glutamate-induced intracellular calcium mobilization incubated for 20 mins before L-glutamate addition
50009863	2	ChEMBL_1924296 (CHEMBL4427252)	Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	3	ChEMBL_1924305 (CHEMBL4427261)	Inhibition of human ERG
50009863	4	ChEMBL_1924300 (CHEMBL4427256)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	5	ChEMBL_1924299 (CHEMBL4427255)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	6	ChEMBL_1924297 (CHEMBL4427253)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	7	ChEMBL_1924295 (CHEMBL4427251)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	8	ChEMBL_1924298 (CHEMBL4427254)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009863	9	ChEMBL_1924294 (CHEMBL4427250)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins in presence of NADPH by LC/MS/MS analysis
50009864	1	ChEMBL_1924392 (CHEMBL4427348)	Activation of human recombinant glucokinase using 5 mM glucose as substrate in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled assay
50009864	2	ChEMBL_1924393 (CHEMBL4427349)	Activation of human recombinant glucokinase using 5 mM glucose as substrate in presence of NAD+ and 4% HSA by glucose 6-phosphate dehydrogenase coupled assay
50009867	1	ChEMBL_1924421 (CHEMBL4427377)	Inhibition of full length recombinant N-terminal GST-tagged and sumo-tagged human TTK (1 to 275 residues) expressed in Escherichia coli pre-incubated for 5 mins before ATP addition by indirect ELISA
50009867	2	ChEMBL_1924430 (CHEMBL4427386)	Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of BFC as substrate measured after 10 mins in presence of NADP by fluorescence analysis
50009867	3	ChEMBL_1924444 (CHEMBL4427400)	Inhibition of CYP2C9 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 45 mins in presence of NADP by fluorescence analysis
50009867	4	ChEMBL_1924445 (CHEMBL4427401)	Inhibition of CYP2C19 (unknown origin) preincubated for 10 mins followed by addition of MFC as substrate measured after 30 mins in presence of NADP by fluorescence analysis
50009867	5	ChEMBL_1924446 (CHEMBL4427402)	Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by addition of DBF as substrate measured after 10 mins in presence of NADP by fluorescence analysis
50009869	1	ChEMBL_1924471 (CHEMBL4427427)	Inhibition of CYP2D6 (unknown origin)
50009869	2	ChEMBL_1924452 (CHEMBL4427408)	Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by luminescence assay
50009869	3	ChEMBL_1924470 (CHEMBL4427426)	Inhibition of CYP2C9 (unknown origin)
50009869	4	ChEMBL_1924472 (CHEMBL4427428)	Inhibition of CYP3A4 (unknown origin)
50009869	5	ChEMBL_1924454 (CHEMBL4427410)	Displacement of [3H]-GNF-1331 from human PORCN after 3 hrs by scintillation counting analysis
50009870	1	ChEMBL_1924488 (CHEMBL4427444)	Inhibition of recombinant IRAP (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader method
50009870	2	ChEMBL_1924487 (CHEMBL4427443)	Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus infected Hi5 cells using L-Arginine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader method
50009870	3	ChEMBL_1924492 (CHEMBL4427448)	Inhibition of human recombinant ERAP1 using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader method
50009870	4	ChEMBL_1924486 (CHEMBL4427442)	Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus infected Hi5 cells using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 mins by fluorescence microplate reader method
50009870	5	ChEMBL_1924491 (CHEMBL4427447)	Inhibition of human ERAP1 expressed in African green monkey COS7 cells using aminoacyl-4-methylcoumaryl-7-amide as substrate after 15 mins by spectrofluorophotometric method
50009871	1	ChEMBL_1924514 (CHEMBL4427470)	Inhibition of ROMK (unknown origin) expressed in CHO cells after 6 mins by electrophysiological assay
50009871	2	ChEMBL_1924512 (CHEMBL4427468)	Displacement of [35S]MK-499 from human ERG
50009871	3	ChEMBL_1924511 (CHEMBL4427467)	Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay
50009871	4	ChEMBL_1924517 (CHEMBL4427473)	Inhibition of ROMK (unknown origin) after 30 mins by Tl+ influx assay
50009871	5	ChEMBL_1924574 (CHEMBL4427530)	Inhibition of somatostatin receptor subtype 1 (unknown origin)
50009871	6	ChEMBL_1924515 (CHEMBL4427471)	Inhibition of human ERG after 6 mins by electrophysiological assay
50009871	7	ChEMBL_1924567 (CHEMBL4427523)	Inhibition of Cav1.2 (unknown origin)
50009871	8	ChEMBL_1924569 (CHEMBL4427525)	Reversible inhibition of human CYP3A4
50009871	9	ChEMBL_1924570 (CHEMBL4427526)	Reversible inhibition of human CYP2C9
50009871	10	ChEMBL_1924571 (CHEMBL4427527)	Reversible inhibition of human CYP2D6
50009871	11	ChEMBL_1924568 (CHEMBL4427524)	Inhibition of Nav1.5 (unknown origin)
50009871	12	ChEMBL_1924575 (CHEMBL4427531)	Inhibition of human SERT
50009871	13	ChEMBL_1924573 (CHEMBL4427529)	Inhibition of ACES (unknown origin)
50009871	14	ChEMBL_1924576 (CHEMBL4427532)	Inhibition of [3H]-serotonin uptake at human SERT transfected in HEK293 cells
50009872	1	ChEMBL_1924594 (CHEMBL4427550)	Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ and glucose 6-phosphate 4% human serum albumin by glucose 6-phosphate dehydrogenase coupled assay
50009872	2	ChEMBL_1924593 (CHEMBL4427549)	Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled assay
50009873	1	ChEMBL_1924631 (CHEMBL4427587)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellmans method
50009873	2	ChEMBL_1924632 (CHEMBL4427588)	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by Ellmans method
50009873	3	ChEMBL_1924633 (CHEMBL4427589)	Displacement of [3H]Nalpha-methylhistamine from human full length recombinant histamine H3 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method
50009873	4	ChEMBL_1924637 (CHEMBL4427593)	Displacement of [3H]histamine from human histamine H3 receptor expressed in Sf9 insect cell membranes after 60 mins by liquid scintillation counting method
50009873	5	ChEMBL_1924638 (CHEMBL4427594)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellmans method
50009873	6	ChEMBL_1924639 (CHEMBL4427595)	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellmans method
50009873	7	ChEMBL_1924636 (CHEMBL4427592)	Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation counting method
50009874	1	ChEMBL_1924651 (CHEMBL4427607)	Inhibition of HDAC in human HeLa cells using Fluor deLys as substrate assessed as deacetylation of substrate by fluorescence assay
50009878	1	ChEMBL_1924662 (CHEMBL4427618)	Inhibition of CYP3A4 (unknown origin)
50009878	2	ChEMBL_1924660 (CHEMBL4427616)	Inhibition of CYP1A2 (unknown origin)
50009878	3	ChEMBL_1924658 (CHEMBL4427614)	Inhibition of ALK5 (unknown origin) using fluorescein-labeled peptide substrate incubated for 90 mins by TR-FRET assay
50009878	4	ChEMBL_1924659 (CHEMBL4427615)	Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay
50009878	5	ChEMBL_1924661 (CHEMBL4427617)	Inhibition of CYP2C8 (unknown origin)
50009878	6	ChEMBL_1924757 (CHEMBL4427713)	Inhibition of MAP3K2 (unknown origin)
50009879	1	ChEMBL_1924801 (CHEMBL4427757)	Inhibition of human IDO1 transfected in HEK293T cells assessed as kynurenine formation using L-Trp as substrate after 7 hrs
50009879	2	ChEMBL_1924804 (CHEMBL4427760)	Inhibition of human IDO1 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins measured after 30 mins by bridge-IT fluorescence assay
50009879	3	ChEMBL_1924802 (CHEMBL4427758)	Inhibition of mouse IDO2 transfected in HEK293T cells assessed as kynurenine formation using L-Trp as substrate after 24 hrs
50009879	4	ChEMBL_1924805 (CHEMBL4427761)	Inhibition of human IDO2 expressed in Escherichia coli BL21 Star assessed as kynurenine formation using L-Trp as substrate preincubated for 90 mins measured after 30 mins by bridge-IT fluorescence assay
50009880	1	ChEMBL_1924835 (CHEMBL4427791)	Inhibition of human recombinant His-tagged aurora B expressed in baculovirus infected Sf21 insect cells by Western blot analysis
50009880	2	ChEMBL_1924834 (CHEMBL4427790)	Inhibition of human recombinant N-terminal His6-tagged full-length aurora A expressed in Sf21 insect cells using ER-alpha as substrate after 25 mins by immunoblot analysis
50009882	1	ChEMBL_1924842 (CHEMBL4427798)	Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP addition measured after 20 mins by ADPglo assay
50009882	2	ChEMBL_1924844 (CHEMBL4427800)	Inhibition of CENP-E in human HeLa cells assessed as HH3 phosphorylated levels after 24 hrs by FACS analysis
50009883	1	ChEMBL_1924853 (CHEMBL4427809)	Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells measured after 90 mins by scintillation proximity assay
50009883	2	ChEMBL_1924859 (CHEMBL4427815)	Inhibition of human f10a
50009883	3	ChEMBL_1924851 (CHEMBL4427807)	Inhibition of human PRSS1 assessed as enzymatic cleavage of Benzoyl-GlyPro-Arg'Rh110-gammaGlu-OH by fluorescence analysis
50009883	4	ChEMBL_1924861 (CHEMBL4427817)	Inhibition of human chymotrypsin
50009883	5	ChEMBL_1924860 (CHEMBL4427816)	Inhibition of human neutrophil elastase
50009883	6	ChEMBL_1924858 (CHEMBL4427814)	Inhibition of human thrombin
50009885	1	ChEMBL_1924891 (CHEMBL4427847)	Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 48 hrs by fluorescence polarization assay
50009885	2	ChEMBL_1924893 (CHEMBL4427849)	Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 29 hrs by fluorescence polarization assay
50009885	3	ChEMBL_1924894 (CHEMBL4427850)	Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 32 hrs by fluorescence polarization assay
50009885	4	ChEMBL_1924895 (CHEMBL4427851)	Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 44 hrs by fluorescence polarization assay
50009885	5	ChEMBL_1924892 (CHEMBL4427848)	Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured after 20 hrs by fluorescence polarization assay
50009889	1	ChEMBL_1924897 (CHEMBL4427853)	Inhibition of recombinant N-terminal GST-tagged full-length IRAK4 in human THP1-XBlue cells assessed as decrease in NF-kappaB level preincubated for 1 hr followed by stimulation with LPS for 4 to 5 hrs measured after 30 mins by spectrophotometric analysis
50009889	2	ChEMBL_1924896 (CHEMBL4427852)	Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expressed in baculovirus infected Sf9 insect cells using 5FAM-RKRQGSVRRRVH-COOH as substrate in presence of ATP by IMAP fluorescence polarization assay
50009889	3	ChEMBL_1924902 (CHEMBL4427858)	Inhibition of MK499 binding to human ERG
50009890	1	ChEMBL_1924910 (CHEMBL4427866)	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay
50009890	2	ChEMBL_1924917 (CHEMBL4427873)	Inhibition of PI3Kdelta in BCR-stimulated human B cells assessed as suppression of CD86 expression after 18 hrs by FACS analysis
50009894	1	ChEMBL_1924975 (CHEMBL4427931)	Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay
50009894	2	ChEMBL_1924977 (CHEMBL4427933)	Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/20 uM 2-OG as substrate/co-factor by TR-FRET assay
50009894	3	ChEMBL_1924978 (CHEMBL4427934)	Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	4	ChEMBL_1924981 (CHEMBL4427937)	Inhibition of KDM4C (unknown origin) using ARTKQTAR(KMe3)STGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	5	ChEMBL_1924983 (CHEMBL4427939)	Inhibition of KDM7B (unknown origin) ARTKQTAR(KMe1)STGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	6	ChEMBL_1924980 (CHEMBL4427936)	Inhibition of KDM3B (unknown origin) using ARTKQTAR(KMe1)STGGKAPRKQLA -NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	7	ChEMBL_1924979 (CHEMBL4427935)	Inhibition of KDM2B (unknown origin) using RKSAPATGGV(KMe2)KPHRYRPGTV-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	8	ChEMBL_1924976 (CHEMBL4427932)	Inhibition of KDM5C (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay
50009894	9	ChEMBL_1924989 (CHEMBL4427945)	Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 levels preincubated for 4 days measured up to 24 hrs by ELISA
50009895	1	ChEMBL_1925022 (CHEMBL4427978)	Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay
50009895	2	ChEMBL_1925023 (CHEMBL4427979)	Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay
50009898	1	ChEMBL_1925031 (CHEMBL4427987)	Agonist activity at human BRS3 expressed in CHOK1 cells measured after 1 hrs by IP-One HTRF assay
50009898	2	ChEMBL_1925032 (CHEMBL4427988)	Agonist activity at mouse BRS3 expressed in CHOK1 cells measured after 1 hrs by IP-One HTRF assay
50009900	1	ChEMBL_1925066 (CHEMBL4428022)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein addition measured after 20 mins by microplate reader analysis
50009900	2	ChEMBL_1925060 (CHEMBL4428016)	Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate measured every 60 s for 25 times
50009900	3	ChEMBL_1925061 (CHEMBL4428017)	Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate measured every 30 s for 25 times
50009900	4	ChEMBL_1925065 (CHEMBL4428021)	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 5 mins followed by substrate addition measured for 2 mins by spectrophotometric analysis
50009901	1	ChEMBL_1925104 (CHEMBL4428176)	Displacement of bis-ANS from Escherichia coli FtsZ
50009902	1	ChEMBL_1925120 (CHEMBL4428192)	Displacement of [3H]-orphanin FQ from human nociceptin opioid receptor expressed in HEK293 cell membranes
50009902	2	ChEMBL_1925123 (CHEMBL4428195)	Displacement of [125I][Tyr14]nociceptin/orphanin FQ from human nociceptin opioid receptor expressed in CHO cell membranes after 1 hr by microplate scintillation counting method
50009902	3	ChEMBL_1925128 (CHEMBL4428200)	Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 60 mins
50009902	4	ChEMBL_1925134 (CHEMBL4428206)	Agonist activity at recombinant human nociceptin opioid receptor expressed in CHOK1 cell membranes after 45 mins by GTPgamma(35)S binding assay
50009902	5	ChEMBL_1925132 (CHEMBL4428204)	Displacement of [leucyl-3H]nociceptin from human nociceptin opioid receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50009902	6	ChEMBL_1925137 (CHEMBL4428209)	Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50009902	7	ChEMBL_1925124 (CHEMBL4428196)	Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cell membranes after 1 hr by microplate scintillation counting method
50009902	8	ChEMBL_1925125 (CHEMBL4428197)	Agonist activity at human nociceptin opioid receptor expressed in CHO cell membranes after 30 mins by GTPgamma(35)S binding assay
50009902	9	ChEMBL_1925122 (CHEMBL4428194)	Agonist activity at human nociceptin opioid receptor expressed in HEK293 cell membranes by GTPgamma(35)S binding assay
50009902	10	ChEMBL_1925127 (CHEMBL4428199)	Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opioid receptor expressed in HEK293 cell membranes after 60 mins
50009902	11	ChEMBL_1925129 (CHEMBL4428201)	Displacement of [3H]nociceptin/orphanin FQ from recombinant human nociceptin opioid receptor expressed in CHO cell membranes
50009902	12	ChEMBL_1925131 (CHEMBL4428203)	Agonist activity at human nociceptin opioid receptor expressed in CHO cell membranes after 60 mins by GTPgamma(35)S binding assay
50009902	13	ChEMBL_1925133 (CHEMBL4428205)	Displacement of [N-allyl-2,3-3H]naloxone from recombinant human mu opioid receptor expressed in CHOK1 cell membranes after 90 mins by scintillation counting method
50009902	14	ChEMBL_1925135 (CHEMBL4428207)	Agonist activity at recombinant human mu opioid receptor expressed in CHOK1 cell membranes after 45 mins by GTPgamma(35)S binding assay
50009902	15	ChEMBL_1925136 (CHEMBL4428208)	Displacement of [3H]nociceptin from recombinant human nociceptin opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method
50009902	16	ChEMBL_1925139 (CHEMBL4428211)	Antagonist activity at human nociceptin opioid receptor expressed in CHO cell membranes after 2.5 hrs by GTPgamma(35)S binding assay
50009902	17	ChEMBL_1925119 (CHEMBL4428191)	Agonist activity at human nociceptin opioid receptor by GTPgamma(35)S binding assay
50009902	18	ChEMBL_1925118 (CHEMBL4428190)	Binding affinity to human mu opioid receptor
50009902	19	ChEMBL_1925117 (CHEMBL4428189)	Binding affinity to human nociceptin opioid receptor
50009902	20	ChEMBL_1925126 (CHEMBL4428198)	Agonist activity at human nociceptin opioid receptor expressed in CHO cell membranes by GTPgamma(35)S binding assay
50009902	21	ChEMBL_1925130 (CHEMBL4428202)	Displacement of [3H]DAMGO from recombinant human mu opioid receptor expressed in CHO cell membranes
50009902	22	ChEMBL_1925121 (CHEMBL4428193)	Displacement of [3H]-naloxone from human mu opioid receptor expressed in HEK293 cell membranes
50009903	1	ChEMBL_1925152 (CHEMBL4428224)	Inhibition of thioredoxin reductase (unknown origin) after 2 hrs by DTNB dye based microplate spectrophotometry
50009903	2	ChEMBL_1925154 (CHEMBL4428226)	Inhibition of thioredoxin reductase in human A549/CDDP cells by DTNB dye based microplate spectrophotometry
50009903	3	ChEMBL_1925153 (CHEMBL4428225)	Inhibition of thioredoxin reductase in human A549 cells by DTNB dye based microplate spectrophotometry
50009908	1	ChEMBL_1925209 (CHEMBL4428281)	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in RNA 5'-end directed cleavage using HTS3 substrate
50009908	2	ChEMBL_1925208 (CHEMBL4428280)	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in DNA 3'-end cleavage using HTS2 substrate
50009908	3	ChEMBL_1925210 (CHEMBL4428282)	Inhibition of re-constituted HIV1 reverse transcriptase RNase H domain fragment
50009908	4	ChEMBL_1925211 (CHEMBL4428283)	Inhibition of polymerase activity of HIV1 reverse transcriptase using poly(rA)-oligo(dT)16 and [3H]-TTP incubated for 20 mins by liquid scintillation spectrometry
50009908	5	ChEMBL_1925207 (CHEMBL4428279)	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcriptase assessed as reduction in nonspecific internal cleavage using HTS1 substrate
50009908	6	ChEMBL_1925214 (CHEMBL4428286)	Inhibition of HIV integrase pre-incubated for 10 mins before addition of oligo-5'-biotin ATGTGGAAAATCTCTAGCA annealed with ACTGCTAGAGATTTTCCACAT 3'-Cy5) substrate
50009909	1	ChEMBL_1925269 (CHEMBL4428341)	Inhibition of gamma secretase isolated from human HeLa cell derived P2 membrane assessed as reduction in amyloid beta (1 to 40 residues) using recombinant human APP-C100 as substrate by DELFIA-based immunoassay
50009909	2	ChEMBL_1925261 (CHEMBL4428333)	Inhibition of recombinant C-terminal truncated human SPC6 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	3	ChEMBL_1925286 (CHEMBL4428358)	Inhibition of gamma secretase (unknown origin) mediated Notch M1726V mutant activation in CHO K1 cells after 48 hrs by chemiluminescence assay
50009909	4	ChEMBL_1925277 (CHEMBL4428349)	Inhibition of gamma secretase (unknown origin) assessed as reduction in amyloid beta levels by HTRF assay
50009909	5	ChEMBL_1925288 (CHEMBL4428360)	Inhibition of gamma secretase (unknown origin) mediated Notch activation
50009909	6	ChEMBL_1925284 (CHEMBL4428356)	Modulation of gamma secretase (unknown origin) assessed as reduction in amyloid beta levels
50009909	7	ChEMBL_1925283 (CHEMBL4428355)	Inhibition of gamma secretase mediated amyloid beta level reduction in HEK293 cells expressing APP after 72 hrs by chemiluminescence assay
50009909	8	ChEMBL_1925281 (CHEMBL4428353)	Inhibition of gamma secretase in HEK293 cells expressing APP assessed as reduction in amyloid beta levels
50009909	9	ChEMBL_1925280 (CHEMBL4428352)	Inhibition of gamma secretase mediated Notch signaling in HEK293 cells after 5 hrs by Western blot analysis
50009909	10	ChEMBL_1925279 (CHEMBL4428351)	Inhibition of gamma secretase in HEK293 cells expressing APP 695 assessed as reduction in amyloid beta levels after 5 hrs by Western blot analysis
50009909	11	ChEMBL_1925275 (CHEMBL4428347)	Inhibition of gamma secretase in human SupT1 cells assessed as reduction in amyloid beta 40 after 16 hrs by chemiluminescence assay
50009909	12	ChEMBL_1925274 (CHEMBL4428346)	Inhibition of gamma secretase in human MCF7 cells assessed as reduction in amyloid beta 40 after 3 days by Western blot analysis
50009909	13	ChEMBL_1925271 (CHEMBL4428343)	Inhibition of gamma secretase in HEK293 cells expressing APP695 assessed as reduction in amyloid beta (1 to 40 residues) by ELISA
50009909	14	ChEMBL_1925270 (CHEMBL4428342)	Inhibition of recombinant human gamma secretase expressing APP751 by electrochemiluminescence assay
50009909	15	ChEMBL_1925267 (CHEMBL4428339)	Inhibition of gamma secretase (unknown origin)
50009909	17	ChEMBL_1925264 (CHEMBL4428336)	Inhibition of ADAM17 (unknown origin) assessed as blockage of TNF-alpha shedding
50009909	18	ChEMBL_1925263 (CHEMBL4428335)	Inhibition of gamma secretase mediated Notch delta E activation in human HeLa cells expressing EGFP after 16 hrs by immunofluorescence analysis
50009909	19	ChEMBL_1925262 (CHEMBL4428334)	Inhibition of recombinant C-terminal truncated human SPC7 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	20	ChEMBL_1925260 (CHEMBL4428332)	Inhibition of recombinant C-terminal truncated human SPC4 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	21	ChEMBL_1925257 (CHEMBL4428329)	Inhibition of recombinant C-terminal truncated human SPC1 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	22	ChEMBL_1925268 (CHEMBL4428340)	Inhibition of gamma secretase (unknown origin) mediated Notch signaling
50009909	23	ChEMBL_1925256 (CHEMBL4428328)	Inhibition of gamma secretase in human primary neuronal cells assessed as reduction in amyloid beta 40
50009909	24	ChEMBL_1925258 (CHEMBL4428330)	Inhibition of recombinant C-terminal truncated human SPC2 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	25	ChEMBL_1925285 (CHEMBL4428357)	Inhibition of gamma secretase (unknown origin) mediated APP cleavage in CHO cells expressing APP Swedish KM/NL mutant assessed as reduction in amyloid beta 40 after 24 hrs by sandwich ELISA
50009909	26	ChEMBL_1925282 (CHEMBL4428354)	Modulation of gamma secretase in HEK cells expressing APP Swedish mutant assessed as reduction in amyloid beta levels after 5 hrs
50009909	27	ChEMBL_1925276 (CHEMBL4428348)	Inhibition of gamma secretase mediated Notch signaling in human SupT1 cells after 16 hrs by chemiluminescence assay
50009909	28	ChEMBL_1925272 (CHEMBL4428344)	Inhibition of gamma secretase mediated Notch1 signaling in HEK293 cells expressing truncated human Notch1 by luciferase reporter gene assay
50009909	29	ChEMBL_1925259 (CHEMBL4428331)	Inhibition of recombinant C-terminal truncated human SPC3 expressed in drosophila Schneider 2 cells after 1 hr by spectrofluorometry
50009909	30	ChEMBL_1925289 (CHEMBL4428361)	Inhibition of gamma secretase (unknown origin) assessed as reduction in amyloid beta levels by sandwich ELISA
50009909	31	ChEMBL_1925278 (CHEMBL4428350)	Inhibition of full-length human gamma secretase expressed in SH-SY5Y spbetaA4CTF cells assessed as reduction in amyloid beta levels after 90 mins by HTRF assay
50009909	32	ChEMBL_1925265 (CHEMBL4428337)	Inhibition of ADAM10 (unknown origin) assessed as blockage of TNF-alpha shedding
50009910	1	ChEMBL_1925296 (CHEMBL4428368)	Competitive inhibition of Leishmania amazonensis arginase assessed as inhibition constant for enzyme-inhibitor complex using L-arginine as substrate incubated for 15 mins by Dixon plot analysis
50009911	1	ChEMBL_1925395 (CHEMBL4428467)	Inhibition of porcine brain tubulin polymerization incubated for 60 mins by fluorescence-based assay
50009912	1	ChEMBL_1925560 (CHEMBL4428632)	Inhibition of hexa-histidine tagged Pseudomonas aeruginosa UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing prenyl chain by measuring pyrophosphate production incubated for 30 mins
50009912	2	ChEMBL_1925559 (CHEMBL4428631)	Inhibition of hexa-histidine tagged Klebsiella pneumoniae UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing prenyl chain by measuring pyrophosphate production
50009912	3	ChEMBL_1925558 (CHEMBL4428630)	Inhibition of hexa-histidine tagged Acinetobacter baumannii UppS expressed in Escherichia coli assessed as reduction in IPP condensation to growing prenyl chain by measuring pyrophosphate production
50009913	1	ChEMBL_1925583 (CHEMBL4428655)	Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for 20 mins and measured after 120 to 180 mins by fluorescence based assay
50009914	1	ChEMBL_1925588 (CHEMBL4428660)	Displacement of TAFMT from human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluorometric method
50009914	2	ChEMBL_1925589 (CHEMBL4428661)	Binding affinity to human pancreatic N-terminal His6-tagged glucokinase isoform 1 expressed in Escherichia coli BL21(DE3) by stopped-flow fluorometric method
50009915	1	ChEMBL_1925624 (CHEMBL4428696)	Inhibition of human 5HT7 by radio-ligand binding displacement assay
50009915	2	ChEMBL_1925621 (CHEMBL4428693)	Inhibition of human adenosine kinase assessed as effect on reduced nicotinamide-adenine dinculeotide appearance using inosine as substrate in presence of NAD, ATP incubated for 4 hrs by IMPDH based coupled enzymatic assay based non-isotopic method
50009915	3	ChEMBL_1925616 (CHEMBL4428688)	Inhibition of human adenosine kinase assessed as reduction in conversion of adenosine to AMP
50009915	4	ChEMBL_1925625 (CHEMBL4428697)	Inhibition of human 5HT2B by radio-ligand binding displacement assay
50009916	1	ChEMBL_1925668 (CHEMBL4428740)	Binding affinity to GST-tagged PLK1 PBD (327 to 603 residues) (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009916	2	ChEMBL_1925673 (CHEMBL4428745)	Binding affinity to GST-tagged PLK1 PBD (327 to 603 residues) (unknown origin) by surface plasmon resonance analysis
50009916	3	ChEMBL_1925669 (CHEMBL4428741)	Binding affinity to GST-tagged PLK2 PBD (355 to 685 residues) (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009916	4	ChEMBL_1925670 (CHEMBL4428742)	Binding affinity to GST-tagged PLK3 PBD (335 to 646 residues) (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009916	5	ChEMBL_1925671 (CHEMBL4428743)	Binding affinity to GST-tagged PLK1 PBD K540A mutant (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009916	6	ChEMBL_1925672 (CHEMBL4428744)	Binding affinity to GST-tagged PLK1 PBD W414A mutant (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009916	7	ChEMBL_1925666 (CHEMBL4428738)	Binding affinity to GST-tagged PLK1 PBD H538A mutant (unknown origin) by NT-647 dye-based microscale thermophoresis analysis
50009918	1	ChEMBL_1925694 (CHEMBL4428766)	Modulation of gamma-secretase in human SH-SY5Y cells overexpressing wild-type human APP751 assessed as inhibition of Abeta42 level after 24 hrs by ELISA
50009918	2	ChEMBL_1925699 (CHEMBL4428771)	Inhibition of recombinant CYP3A4 (unknown origin) by fluorescence-based assay
50009918	3	ChEMBL_1925701 (CHEMBL4428773)	Inhibition of recombinant CYP2C9 (unknown origin) by fluorescence-based assay
50009918	4	ChEMBL_1925702 (CHEMBL4428774)	Inhibition of recombinant CYP2C19 (unknown origin) by fluorescence-based assay
50009918	5	ChEMBL_1925704 (CHEMBL4428776)	Inhibition of human ERG channel expressed in HEK293 cells by patch-clamp assay
50009918	6	ChEMBL_1925700 (CHEMBL4428772)	Inhibition of recombinant CYP1A2 (unknown origin) by fluorescence-based assay
50009918	7	ChEMBL_1925703 (CHEMBL4428775)	Inhibition of recombinant CYP2D6 (unknown origin) by fluorescence-based assay
50009920	1	ChEMBL_1925729 (CHEMBL4428801)	Inhibition of PI3K p110gamma/p101 (unknown origin) using PIP2/ATP as substrate after 1 hr by kinase glo luminescent assay
50009921	1	ChEMBL_1925798 (CHEMBL4428870)	Inhibition of factor 12a (unknown origin) using Ac-QRFRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	2	ChEMBL_1925801 (CHEMBL4428873)	Inhibition of factor 11a (unknown origin) using Bz-FVRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	3	ChEMBL_1925805 (CHEMBL4428877)	Inhibition of human plasma kallikrein using Ac-RM(O2)YRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	4	ChEMBL_1925807 (CHEMBL4428879)	Inhibition of uPA (unknown origin) incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	5	ChEMBL_1925800 (CHEMBL4428872)	Inhibition of factor 9a (unknown origin) using Ac-QGRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	6	ChEMBL_1925803 (CHEMBL4428875)	Inhibition of trypsin (unknown origin) using Bz-FVRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	7	ChEMBL_1925804 (CHEMBL4428876)	Inhibition of thrombin (unknown origin) using Ac-ATPRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	8	ChEMBL_1925799 (CHEMBL4428871)	Inhibition of factor 10a (unknown origin) using Ac-QRSRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	9	ChEMBL_1925802 (CHEMBL4428874)	Inhibition of plasmin (unknown origin) using Ac-RM(O2)YRpNA as substrate incubated for 30 mins measured for 7 mins by morrison plot analysis
50009921	10	ChEMBL_1925806 (CHEMBL4428878)	Inhibition of tPA (unknown origin) incubated for 30 mins measured for 7 mins by morrison plot analysis
50009923	1	ChEMBL_1925812 (CHEMBL4428884)	Inhibition of human Nav1.5 expressed in HEK293 cells incubated for 3 to 5 mins at -50 mV holding potential by electrophysiology assay
50009923	2	ChEMBL_1925811 (CHEMBL4428883)	Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50009923	3	ChEMBL_1925813 (CHEMBL4428885)	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis
50009923	4	ChEMBL_1925821 (CHEMBL4428893)	Inhibition of CYP2C9 in human microsomes using diclofenac as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NADPH by LC-MS/MS analysis
50009923	5	ChEMBL_1925824 (CHEMBL4428896)	Inhibition of CYP2C9 in human microsomes using diclofenac as substrate incubated with enzyme and NADPH prior to substrate addition by LC-MS/MS analysis
50009923	6	ChEMBL_1925835 (CHEMBL4428907)	Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology assay
50009923	7	ChEMBL_1925849 (CHEMBL4428921)	Inhibition of human BSEP in plasma membrane vesicles after 10 mins in presence of [3H]-taurocholate by topcount based transport assay
50009923	8	ChEMBL_1925819 (CHEMBL4428891)	Inhibition of CYP3A4 in human microsomes using midazolam as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NADPH by LC-MS/MS analysis
50009923	9	ChEMBL_1925820 (CHEMBL4428892)	Inhibition of CYP2D6 in human microsomes using dextromethorphan as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NADPH by LC-MS/MS analysis
50009923	10	ChEMBL_1925822 (CHEMBL4428894)	Inhibition of CYP3A4 in human microsomes using midazolam as substrate preincubated with enzyme and NADPH prior to substrate addition by LC-MS/MS analysis
50009923	11	ChEMBL_1925823 (CHEMBL4428895)	Inhibition of CYP2D6 in human microsomes using dextromethorphan as substrate incubated with enzyme and NADPH prior to substrate addition by LC-MS/MS analysis
50009923	12	ChEMBL_1925840 (CHEMBL4428912)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	13	ChEMBL_1925841 (CHEMBL4428913)	Inhibition of human Nav1.1 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	14	ChEMBL_1925842 (CHEMBL4428914)	Inhibition of human Nav1.2 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	15	ChEMBL_1925844 (CHEMBL4428916)	Inhibition of human Nav1.4 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	16	ChEMBL_1925847 (CHEMBL4428919)	Inhibition of human Nav1.8 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	17	ChEMBL_1925851 (CHEMBL4428923)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as use-dependent block at pulse 26 by ionworks quattro electrophysiology assay
50009923	18	ChEMBL_1925848 (CHEMBL4428920)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as tonic block at pulse 1 by ionworks quattro electrophysiology assay
50009923	19	ChEMBL_1925853 (CHEMBL4428925)	Inhibition of human Nav1.7 at resting/closed state expressed in HEK293 cells at -140 mV holding potential by manual whole cell patch clamp electrophysiology assay
50009923	20	ChEMBL_1925855 (CHEMBL4428927)	Displacement of [3H]-6,6-fused heteroaryl-sulfonamide derivative from human Nav1.7 expressed in HEK293 cell membranes preincubated for 30 mins followed by radioligand addition measured after 1 hr by scintillation counting analysis
50009923	21	ChEMBL_1925843 (CHEMBL4428915)	Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	22	ChEMBL_1925850 (CHEMBL4428922)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as tonic block at pulse 1 by ionworks quattro electrophysiology assay
50009923	23	ChEMBL_1925854 (CHEMBL4428926)	Inhibition of human Nav1.7 at 20% inactivated state expressed in HEK293 cells at -140 mV holding potential followed by channel inactivation by manual whole cell patch clamp electrophysiology assay
50009923	24	ChEMBL_1925845 (CHEMBL4428917)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	25	ChEMBL_1925826 (CHEMBL4428898)	Inhibition of rat Nav1.7 expressed in HEK293T cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50009923	26	ChEMBL_1925846 (CHEMBL4428918)	Inhibition of human Nav1.6 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology assay
50009923	27	ChEMBL_1925827 (CHEMBL4428899)	Inhibition of mouse Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay
50009923	28	ChEMBL_1925852 (CHEMBL4428924)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as use-dependent block at pulse 26 by ionworks quattro electrophysiology assay
50009926	1	ChEMBL_1925917 (CHEMBL4428989)	Inhibition of human recombinant AKR1C2 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 10 mins followed by protein addition by fluorometric assay
50009926	2	ChEMBL_1925919 (CHEMBL4428991)	Inhibition of COX1 in ram seminal vesicles using arachidonic acid as substrate assessed as reduction in PGH2 conversion to PGG2 by measuring TMPD oxidation preincubated for 5 mins followed by substrate/TMPD addition measured for 5 mins by colorimetric assay
50009926	3	ChEMBL_1925916 (CHEMBL4428988)	Inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 10 mins followed by protein addition by fluorometric assay
50009926	4	ChEMBL_1925933 (CHEMBL4429005)	Competitive inhibition of human recombinant AKR1C3 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 10 mins followed by protein addition by fluorometric assay
50009926	5	ChEMBL_1925923 (CHEMBL4428995)	Inhibition of COX2 (unknown origin) using arachidonic acid as substrate assessed as reduction in PGH2 conversion to PGG2 by measuring TMPD oxidation preincubated for 5 mins followed by substrate/TMPD addition measured for 5 mins by colorimetric assay
50009926	6	ChEMBL_1925921 (CHEMBL4428993)	Inhibition of human recombinant AKR1C1 using S-tetralol as substrate assessed as reduction in NADP+-dependent S-tetralol oxidation preincubated for 10 mins followed by protein addition by fluorometric assay
50009926	7	ChEMBL_1925934 (CHEMBL4429006)	Competitive inhibition of human recombinant AKR1C3 using assessed as reduction in NADPH-dependent reduction of delat4-androsten-3,17-dione preincubated for 10 mins followed by protein addition by fluorometric assay
50009927	1	ChEMBL_1925939 (CHEMBL4429011)	Competitive binding affinity to recombinant human galectin-2 after 5 mins in presence of fluorescent probe ,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside by fluorescence polarization assay
50009927	2	ChEMBL_1925943 (CHEMBL4429015)	Competitive binding affinity to recombinant mouse galectin-7 after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-2- acetamido-2-deoxy-beta-D-glucopyranosyl(1-3)-beta-D-galactopyranosyl(1-4)-(N1-fluorescein-5-yl-carbonylaminomethylcarbonyl)-beta-D-glucopyranosylamine by fluorescence polarization assay
50009927	3	ChEMBL_1925946 (CHEMBL4429018)	Competitive binding affinity to recombinant human galectin-9 C-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside by fluorescence polarization assay
50009927	4	ChEMBL_1925952 (CHEMBL4429024)	Competitive binding affinity to recombinant human galectin-3 K176L mutant after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl(1-3)-beta-D-galactopyranosyl(1-4)-(N1-fluorescein-5-yl-carbonylaminomethylcarbonyl)-beta-D-glucopyranosylamine by fluorescence polarization assay
50009927	5	ChEMBL_1925938 (CHEMBL4429010)	Competitive binding affinity to recombinant human galectin-1 after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside by fluorescence polarization assay
50009927	6	ChEMBL_1925940 (CHEMBL4429012)	Competitive binding affinity to recombinant human galectin-3 after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009927	7	ChEMBL_1925941 (CHEMBL4429013)	Competitive binding affinity to recombinant human galectin-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside by fluorescence polarization assay
50009927	8	ChEMBL_1925942 (CHEMBL4429014)	Competitive binding affinity to recombinant human galectin-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)-aminoethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	9	ChEMBL_1925944 (CHEMBL4429016)	Competitive binding affinity to recombinant human galectin-8 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylamino)ethyl beta-D-galactopyranosyl(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl(1-3)-beta-D-galactopyranosyl(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	10	ChEMBL_1925945 (CHEMBL4429017)	Competitive binding affinity to recombinant human galectin-9 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylamino)ethyl-beta-D-galactopyranosyl(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl(1-3)-beta-D-galactopyranosyl(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	11	ChEMBL_1925950 (CHEMBL4429022)	Competitive binding affinity to recombinant human galectin-3 R186K mutant after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl(1-3)-beta-D-galactopyranosyl(1-4)-(N1-fluorescein-5-yl-carbonylaminomethylcarbonyl)-beta-D-glucopyranosylamine by fluorescence polarization assay
50009927	12	ChEMBL_1925953 (CHEMBL4429025)	Competitive binding affinity to rat galectin-1 after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009927	13	ChEMBL_1925955 (CHEMBL4429027)	Competitive binding affinity to human galectin-7 after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009927	14	ChEMBL_1925956 (CHEMBL4429028)	Competitive binding affinity to human galectin-8 N-terminal after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009927	15	ChEMBL_1925948 (CHEMBL4429020)	Competitive binding affinity to recombinant human galectin-3 R144K mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)-aminoethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	16	ChEMBL_1925954 (CHEMBL4429026)	Competitive binding affinity to human galectin-3 after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009927	17	ChEMBL_1925949 (CHEMBL4429021)	Competitive binding affinity to recombinant human galectin-3 R144S mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)-aminoethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	18	ChEMBL_1925951 (CHEMBL4429023)	Competitive binding affinity to recombinant human galectin-3 R186S mutant after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)-aminoethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside by fluorescence polarization assay
50009927	19	ChEMBL_1925957 (CHEMBL4429029)	Competitive binding affinity to human galectin-9 N-terminal after 5 mins in presence of fluorescent probe by fluorescence polarization assay
50009928	1	ChEMBL_1926019 (CHEMBL4429091)	Inhibition of HCV genotype 3a replicons NS5A infected in human Huh7 cells by luciferase reporter gene assay
50009928	2	ChEMBL_1926018 (CHEMBL4429090)	Inhibition of HCV genotype 1b replicons NS5A infected in human Huh7 cells by luciferase reporter gene assay
50009928	3	ChEMBL_1926017 (CHEMBL4429089)	Inhibition of HCV genotype 1a replicons NS5A infected in human Huh7 cells by luciferase reporter gene assay
50009928	4	ChEMBL_1926058 (CHEMBL4429130)	Inhibition of HCV genotype 1a replicon NS5A S2204I mutant infected in human Huh7 cells
50009928	5	ChEMBL_1926080 (CHEMBL4429152)	Inhibition of HCV genotype 3a replicon NS5A
50009928	6	ChEMBL_1926079 (CHEMBL4429151)	Inhibition of HCV genotype 1b replicon NS5A S2204I mutant infected in human Huh7 cells
50009931	1	ChEMBL_1926082 (CHEMBL4429154)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting analysis
50009931	2	ChEMBL_1926081 (CHEMBL4429153)	Displacement of [3H]N-methylspiperone from human dopamine D2L receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting analysis
50009931	3	ChEMBL_1926083 (CHEMBL4429155)	Displacement of [3H]N-methylspiperone from human dopamine D4.4 receptor expressed in HEK293 cell membranes incubated for 1 hr by liquid scintillation counting analysis
50009931	4	ChEMBL_1926089 (CHEMBL4429161)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)
50009931	5	ChEMBL_1926090 (CHEMBL4429162)	Displacement of [125I]DOI from 5-HT2A receptor (unknown origin)
50009931	6	ChEMBL_1926091 (CHEMBL4429163)	Displacement of [125I]DOI from 5-HT2C receptor (unknown origin)
50009931	7	ChEMBL_1926087 (CHEMBL4429159)	Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of mitogenesis incubated for 16 hrs in presence of [3H]thymidine by scintillation spectrometric analysis
50009931	8	ChEMBL_1926088 (CHEMBL4429160)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis incubated for 16 hrs in presence of [3H]thymidine by scintillation spectrometric analysis
50009931	9	ChEMBL_1926107 (CHEMBL4429179)	Binding affinity to dopamine D2 receptor (unknown origin)
50009931	10	ChEMBL_1926095 (CHEMBL4429167)	Agonist activity at 5-HT1A receptor (unknown origin) by [35S]GTPgammaS binding assay
50009931	11	ChEMBL_1926106 (CHEMBL4429178)	Binding affinity to dopamine D3 receptor (unknown origin)
50009934	1	ChEMBL_1926123 (CHEMBL4429195)	Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NF-kappaB activity by secreted alkaline phosphatase reporter gene assay
50009934	2	ChEMBL_1926130 (CHEMBL4429202)	Agonist activity at TLR8 in human PBMC assessed as increase in TNF-alpha production after 16 hrs by immunoassay
50009937	1	ChEMBL_1926265 (CHEMBL4429337)	Inhibition of JAK2 V617F mutant (unknown origin) using L-Ahx-IPTSPITTTYFFFKKK-COOH as substrate in presence of ATP
50009938	1	ChEMBL_1926282 (CHEMBL4429354)	Displacement of fluoromone ligand from recombinant ER-alpha (unknown origin) by LanthaScreen TR-FRET assay
50009938	2	ChEMBL_1926283 (CHEMBL4429355)	Downregulation of ER-alpha expression in human T47D cells measured after 5 days by Western blot analysis
50009938	3	ChEMBL_1926284 (CHEMBL4429356)	Downregulation of ER-alpha expression in human tamoxifen-resistant T47D cells over-expressing PKC-alpha measured after 5 days by Western blot analysis
50009939	1	ChEMBL_1926334 (CHEMBL4429406)	Inhibition of BTK in human whole blood assessed as suppression of BCR/anti-IgM stimulated CD69 surface expression on B cells after 18 hrs by FACS analysis
50009939	2	ChEMBL_1926293 (CHEMBL4429365)	Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluorescent electrophoretic separation
50009939	3	ChEMBL_1926302 (CHEMBL4429374)	Inhibition of BTK in human RamosB cells assessed as suppression of BCR/anti-IgM stimulated calcium flux pre-incubated for 1 hr followed by BCR/anti-IgM stimulation
50009939	4	ChEMBL_1926312 (CHEMBL4429384)	Inhibition of partial length human TRKB expressed in mammalian system
50009939	5	ChEMBL_1926401 (CHEMBL4429473)	Inhibition of human ERG by patch clamp assay
50009939	6	ChEMBL_1926305 (CHEMBL4429377)	Inhibition of full length human BMX expressed in bacterial system
50009939	7	ChEMBL_1926306 (CHEMBL4429378)	Inhibition of partial length human ITK expressed in bacterial system
50009939	8	ChEMBL_1926308 (CHEMBL4429380)	Inhibition of BLK (unknown origin) expressed in bacterial system
50009939	9	ChEMBL_1926311 (CHEMBL4429383)	Inhibition of partial length human HER4 expressed in bacterial system
50009939	10	ChEMBL_1926313 (CHEMBL4429385)	Inhibition of partial length human RET expressed in bacterial system
50009939	11	ChEMBL_1926315 (CHEMBL4429387)	Inhibition of partial length human LYN expressed in bacterial system
50009939	12	ChEMBL_1926330 (CHEMBL4429402)	Inhibition of BTK in human tonsillar B cells assessed as suppression of BCR/anti-IgM/IgG stimulated cell proliferation
50009939	13	ChEMBL_1926332 (CHEMBL4429404)	Inhibition of BTK in human peripheral B cells assessed as suppression of CD40/CD40L stimulated CD69 surface expression
50009939	14	ChEMBL_1926333 (CHEMBL4429405)	Inhibition of BTK in human PBMC assessed as suppression of FCgamma2aR/FCgamma3R stimulated TNFalpha production after 7 hrs by ELISA
50009939	15	ChEMBL_1926335 (CHEMBL4429407)	Inhibition of BTK in mouse whole blood assessed as suppression of BCR/anti-IgM stimulated CD69 surface expression on B cells after 18 hrs by FACS analysis
50009939	16	ChEMBL_1926340 (CHEMBL4429412)	Inhibition of human liver microsomes CYP1A2 after 30 mins in presence of NADPH
50009939	17	ChEMBL_1926341 (CHEMBL4429413)	Inhibition of human liver microsomes CYP2B6 after 30 mins in presence of NADPH
50009939	18	ChEMBL_1926345 (CHEMBL4429417)	Inhibition of human liver microsomes CYP2C8 after 30 mins in presence of NADPH
50009939	19	ChEMBL_1926309 (CHEMBL4429381)	Inhibition of partial length human TRKA expressed in mammalian system
50009939	20	ChEMBL_1926291 (CHEMBL4429363)	Inhibition of partial length human JAK2 expressed in bacterial system
50009939	21	ChEMBL_1926342 (CHEMBL4429414)	Inhibition of human liver microsomes CYP2D6 after 30 mins in presence of NADPH
50009939	22	ChEMBL_1926317 (CHEMBL4429389)	Inhibition of partial length human SRC expressed in bacterial system
50009939	23	ChEMBL_1926304 (CHEMBL4429376)	Inhibition of partial length human TEC expressed in bacterial system
50009939	24	ChEMBL_1926307 (CHEMBL4429379)	Inhibition of partial length human TXK expressed in bacterial system
50009939	25	ChEMBL_1926314 (CHEMBL4429386)	Inhibition of partial length human LCK expressed in bacterial system
50009939	26	ChEMBL_1926331 (CHEMBL4429403)	Inhibition of BTK in human peripheral B cells assessed as suppression of BCR/anti-IgM/IgG stimulated CD69 surface expression after 18 hrs by FACS analysis
50009939	27	ChEMBL_1926344 (CHEMBL4429416)	Inhibition of human liver microsomes CYP2C9 after 30 mins in presence of NADPH
50009939	28	ChEMBL_1926343 (CHEMBL4429415)	Inhibition of human liver microsomes CYP3A4 after 30 mins in presence of NADPH
50009940	1	ChEMBL_1926404 (CHEMBL4429476)	Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed by baculovirus in Sf21 insect cells measured after 10 mins in presence of [gamma-33P]ATP by scintillation counter method
50009943	1	ChEMBL_1926445 (CHEMBL4429517)	Negative allosteric modulator activity at SHP2 (unknown origin)
50009946	1	ChEMBL_1926456 (CHEMBL4429528)	Inhibition of human JAK2 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA
50009946	2	ChEMBL_1926455 (CHEMBL4429527)	Inhibition of human JAK1 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA
50009946	3	ChEMBL_1926454 (CHEMBL4429526)	Inhibition of human JAK3 assessed as reduction in phosphorylation of Biotin-Lyn-Substrate-2 after 1 hr in presence of ATP by ELISA
50009946	4	ChEMBL_1926457 (CHEMBL4429529)	Inhibition of human ERG expressed in CHO-K1 cells after 10 mins by Rb efflux assay
50009947	1	ChEMBL_1926516 (CHEMBL4429588)	Inhibition of His-tagged cKIT T670I mutant (544 to 935 residues) (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-glo kinase assay
50009947	2	ChEMBL_1926515 (CHEMBL4429587)	Inhibition of His-tagged cKIT (unknown origin) expressed in Sf9 cells using Poly(4:1 Glu, Tyr) peptide as substrate after 1 hr by ADP-glo kinase assay
50009947	3	ChEMBL_1926533 (CHEMBL4429605)	Inhibition of wild type cKIT in human GIST-T1 cells assessed as downregulation of S6 phosphorylation at S235/236 after 1 hr by Western blot analysis
50009947	4	ChEMBL_1926534 (CHEMBL4429606)	Inhibition of wild type cKIT in human GIST-T1 cells assessed as downregulation of ERK phosphorylation at T202//204 after 1 hr by Western blot analysis
50009947	5	ChEMBL_1926536 (CHEMBL4429608)	Inhibition of cKIT T670I mutant autophosphorylation at Y719 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis
50009947	6	ChEMBL_1926539 (CHEMBL4429611)	Inhibition of cKIT T670I mutant in human GIST-5R cells assessed as downregulation of S6 phosphorylation at S235/236 after 1 hr by Western blot analysis
50009947	7	ChEMBL_1926540 (CHEMBL4429612)	Inhibition of cKIT T670I mutant in human GIST-5R cells assessed as downregulation of ERK phosphorylation at T202/204 after 1 hr by Western blot analysis
50009947	8	ChEMBL_1926532 (CHEMBL4429604)	Inhibition of wild type cKIT in human GIST-T1 cells assessed as downregulation of AKT phosphorylation at S473 after 1 hr by Western blot analysis
50009947	9	ChEMBL_1926535 (CHEMBL4429607)	Inhibition of cKIT T670I mutant autophosphorylation at Y703 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis
50009947	10	ChEMBL_1926537 (CHEMBL4429609)	Inhibition of cKIT T670I mutant autophosphorylation at Y823 in human GIST-5R cells at 0.1 to 3 uM after 1 hr by Western blot analysis
50009947	11	ChEMBL_1926538 (CHEMBL4429610)	Inhibition of cKIT T670I mutant in human GIST-5R cells assessed as downregulation of AKT phosphorylation at S473 after 1 hr by Western blot analysis
50009948	1	ChEMBL_1926583 (CHEMBL4429655)	Displacement of [125I]-orexin A from human OX1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting
50009948	2	ChEMBL_1926584 (CHEMBL4429656)	Displacement of [125I]-orexin A from human OX2 receptor expressed in CHO cell membranes after 90 mins by scintillation counting
50009948	3	ChEMBL_1926587 (CHEMBL4429659)	Antagonist activity at human OX2 receptor expressed in CHO cell membranes assessed as inhibition of orexin A-induced Ca2+ elevation after 30 mins in presence of orexin A by FLIPR calcium 4 assay
50009948	4	ChEMBL_1926586 (CHEMBL4429658)	Antagonist activity at human OX1 receptor expressed in CHO cell membranes assessed as inhibition of orexin A-induced Ca2+ elevation after 30 mins in presence of orexin A by FLIPR calcium 4 assay
50009949	1	ChEMBL_1926627 (CHEMBL4429699)	Inhibition of JAK3 (unknown origin) measured after 1 hr in presence of ATP by TR-FRET assay
50009949	2	ChEMBL_1926623 (CHEMBL4429695)	Inhibition of human JAK1 using GEEPLYWSFPAKKK as substrate measured after 40 mins in presence of ATP by scintillation counting method
50009949	3	ChEMBL_1926625 (CHEMBL4429697)	Inhibition of recombinant human C-terminal 6His-tagged JAK2 (808 to end amino acids) expressed in Sf21 cells measured after 1 hr in presence of ATP by TR-FRET assay
50009949	4	ChEMBL_1926632 (CHEMBL4429704)	Inhibition of JAK2 V617F mutant expressed in mouse BaF3 cells cells assessed as reduction in cell viability
50009950	1	ChEMBL_1926742 (CHEMBL4429814)	Agonist activity at mouse mu opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintillation spectroscopic analysis
50009950	2	ChEMBL_1926741 (CHEMBL4429813)	Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins
50009950	3	ChEMBL_1926740 (CHEMBL4429812)	Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins
50009950	4	ChEMBL_1926739 (CHEMBL4429811)	Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins
50009950	5	ChEMBL_1926738 (CHEMBL4429810)	Antagonist activity at mouse delta opioid receptor-1 expressed in CHO cell membranes assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding incubated for 60 mins by scintillation spectroscopic analysis
50009950	6	ChEMBL_1926744 (CHEMBL4429816)	Agonist activity at mouse kappa opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintillation spectroscopic analysis
50009950	7	ChEMBL_1926746 (CHEMBL4429818)	Agonist activity at mouse delta opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintillation spectroscopic analysis
50009950	8	ChEMBL_1926745 (CHEMBL4429817)	Antagonist activity at mouse kappa opioid receptor-1 expressed in CHO cell membranes assessed as inhibition of U50,488H-induced [35S]GTPgammaS binding incubated for 60 mins by scintillation spectroscopic analysis
50009950	9	ChEMBL_1926752 (CHEMBL4429824)	Inhibition of DAMGO-induced beta-arrestin-2 recruitment at mu opioid receptor-1 (unknown origin) expressed in CHO cells preincubated for 30 mins followed by DAMGO addition measured after 90 mins by beta-galactosidase complementation assay
50009951	1	ChEMBL_1926805 (CHEMBL4429877)	Inhibition of human glycine transporter-2 expressed in HEK293 cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycine addition measured after 3 hrs by scintillation proximity assay
50009951	2	ChEMBL_1926818 (CHEMBL4429890)	Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assay
50009951	3	ChEMBL_1926804 (CHEMBL4429876)	Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycine addition measured after 3 hrs by scintillation proximity assay
50009951	4	ChEMBL_1926814 (CHEMBL4429886)	Inhibition of CYP3A4 (unknown origin)
50009951	5	ChEMBL_1926816 (CHEMBL4429888)	Inhibition of CYP2D6 (unknown origin)
50009951	6	ChEMBL_1926817 (CHEMBL4429889)	Inhibition of CYP2C19 (unknown origin)
50009951	7	ChEMBL_1926815 (CHEMBL4429887)	Inhibition of CYP2C9 (unknown origin)
50009952	1	ChEMBL_1926944 (CHEMBL4430016)	Inhibition of recombinant human CYP2C9 preincubated for 10 mins followed by addition of MFC as substrate measured after 45 mins
50009952	2	ChEMBL_1926922 (CHEMBL4429994)	Inhibition of BACE1 in human H4 cells expressing swedish mutant APP751 assessed as reduction in amyloid beta level measured after 19 hrs
50009952	3	ChEMBL_1926943 (CHEMBL4430015)	Inhibition of recombinant human CYP1A2 preincubated for 10 mins followed by addition of CEC as substrate measured after 45 mins
50009952	4	ChEMBL_1926946 (CHEMBL4430018)	Inhibition of recombinant human CYP2D6 preincubated for 10 mins followed by addition of AMMC as substrate measured after 45 mins
50009952	5	ChEMBL_1926947 (CHEMBL4430019)	Inhibition of recombinant human CYP3A4 preincubated for 10 mins followed by addition of BFC as substrate measured after 45 mins
50009952	6	ChEMBL_1926952 (CHEMBL4430024)	Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells expressing swedish mutant using mcaFRET peptide as substrate measured after 20 hrs by FRET assay
50009952	7	ChEMBL_1926945 (CHEMBL4430017)	Inhibition of recombinant human CYP2C19 preincubated for 10 mins followed by addition of CEC as substrate measured after 45 mins
50009953	1	ChEMBL_1926979 (CHEMBL4430051)	Displacement of [3H]dofetilide from recombinant human ERG transfected in HEK293 cell membranes after 60 mins by scintillation counting
50009953	2	ChEMBL_1926976 (CHEMBL4430048)	Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay
50009953	3	ChEMBL_1926977 (CHEMBL4430049)	Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as reduction in anti-IgM induced CD86 expression preincubated for 1 hr followed by anti-IgM stimulation for 24 hrs by flow cytometry
50009953	4	ChEMBL_1926970 (CHEMBL4430042)	Inhibition of PI3Kgamma (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FRET assay
50009953	5	ChEMBL_1926973 (CHEMBL4430045)	Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FRET assay
50009953	6	ChEMBL_1926971 (CHEMBL4430043)	Inhibition of human PI3Kalpha expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay
50009953	7	ChEMBL_1926975 (CHEMBL4430047)	Inhibition of human PI3Kbeta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay
50009953	8	ChEMBL_1926968 (CHEMBL4430040)	Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo luminescence assay
50009953	9	ChEMBL_1926972 (CHEMBL4430044)	Inhibition of recombinant PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo luminescence assay
50009953	10	ChEMBL_1926984 (CHEMBL4430056)	Inhibition of PI3Kdelta in human B cells assessed as reduction in anti-human IgM stimulated CD69 expression preincubated for 1 hr followed by anti-human IgM stimulation for 24 hrs by flow cytometry
50009953	11	ChEMBL_1926987 (CHEMBL4430059)	Inhibition of PI3Kdelta in Balb/c mouse in rat B cells assessed as reduction in anti-IgM induced proliferation measured over last 16 hrs of 88 hrs by [3H]-Thymidine incorporation assay
50009953	12	ChEMBL_1926974 (CHEMBL4430046)	Inhibition of human mTOR after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting
50009953	13	ChEMBL_1926969 (CHEMBL4430041)	Inhibition of PI3Kdelta in human B cells assessed as reduction in anti-human IgM stimulated intracellular Akt phosphorylation at Ser 473 preincubated for 1.5 hrs followed by anti-human IgM stimulation for 20 mins by flow cytometry
50009953	14	ChEMBL_1926983 (CHEMBL4430055)	Inhibition of PI3Kdelta in human B cells assessed as reduction in anti-human IgM stimulated CD86 expression preincubated for 1 hr followed by anti-human IgM stimulation for 24 hrs by flow cytometry
50009954	1	ChEMBL_1927094 (CHEMBL4430166)	Inhibition of AKR1C3 in human HL60 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 pre-treated with compound for 24 hrs followed by etoposide exposure for additional 72 hrs by MTS assay (Rvb = 1.16 uM)
50009954	2	ChEMBL_1927017 (CHEMBL4430089)	Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol catalyzed oxidation in presence of NADPH by fluorescence assay
50009954	3	ChEMBL_1927088 (CHEMBL4430160)	Inhibition of AKR1C3 in human HL60 cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 after 24 to 72 hrs by MTS assay (Rvb = 1.16 uM)
50009954	4	ChEMBL_1927091 (CHEMBL4430163)	Inhibition of AKR1C3 in human KG1a cells assessed as potentiation of etoposide-induced cytotoxicity by measuring etoposide IC50 cotreated at 72 hrs by MTS assay (Rvb = 6.70 uM)
50009954	5	ChEMBL_1927018 (CHEMBL4430090)	Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol catalyzed oxidation in presence of NADPH by fluorescence assay
50009954	6	ChEMBL_1927100 (CHEMBL4430172)	Inhibition of recombinant N-terminal His-tagged AKR1C3 (unknown origin) assessed as rate of change of pyridine nucleotide absorbance in presence of NADPH
50009954	7	ChEMBL_1927101 (CHEMBL4430173)	Inhibition of N-terminal His6-tagged human recombinant AKR1C3 in presence of NADPH by fluorescence assay
50009955	1	ChEMBL_1927126 (CHEMBL4430198)	Inhibition of CYP2C19 (unknown origin)
50009955	2	ChEMBL_1927125 (CHEMBL4430197)	Inhibition of CYP1A2 (unknown origin)
50009955	3	ChEMBL_1927124 (CHEMBL4430196)	Inhibition of CYP2D6 (unknown origin)
50009955	4	ChEMBL_1927127 (CHEMBL4430199)	Inhibition of CYP2C9 (unknown origin)
50009955	5	ChEMBL_1927123 (CHEMBL4430195)	Inhibition of CYP3A4 (unknown origin)
50009957	1	ChEMBL_1927237 (CHEMBL4430309)	Inhibition of T-type alpha1H channel (unknown origin) by whole cell patch clamp method
50009957	2	ChEMBL_1927236 (CHEMBL4430308)	Inhibition of T-type alpha1G channel (unknown origin) by whole cell patch clamp method
50009957	3	ChEMBL_1927239 (CHEMBL4430311)	Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch clamp method
50009957	4	ChEMBL_1927260 (CHEMBL4430332)	Inhibition of T-type alpha1H channel (unknown origin) expressed in HEK293 cells after 3 mins by patch clamp assay
50009959	1	ChEMBL_1927266 (CHEMBL4430338)	Agonist activity at human D3 dopamine receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50009959	2	ChEMBL_1927262 (CHEMBL4430334)	Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr
50009959	3	ChEMBL_1927264 (CHEMBL4430336)	Agonist activity at human D2 dopamine receptor expressed in CHO cells by [35S]GTPgammaS binding assay
50009959	4	ChEMBL_1927261 (CHEMBL4430333)	Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293 cell membranes after 1 hr
50009960	1	ChEMBL_1927274 (CHEMBL4430346)	Agonist activity at human RXR binding domain and activation domain expressed in human HCT116 cells assessed as rexinoid activity incubated for 24 hrs by luciferase reporter gene based mammalian two-hybrid assay
50009964	1	ChEMBL_1927292 (CHEMBL4430364)	Inhibition of PLK4 (unknown origin)
50009964	2	ChEMBL_1927293 (CHEMBL4430365)	Inhibition of FLT3 (unknown origin)
50009964	3	ChEMBL_1927297 (CHEMBL4430369)	Inhibition of AURKB (unknown origin)
50009964	4	ChEMBL_1927295 (CHEMBL4430367)	Inhibition of KDR (unknown origin)
50009964	5	ChEMBL_1927296 (CHEMBL4430368)	Inhibition of AURKA (unknown origin)
50009967	1	ChEMBL_1927387 (CHEMBL4430459)	Inhibition of rat striatal adenosine A2A receptor using [3H]MXS-2 measured after 30 mins by liquid scintillation counting method
50009967	2	ChEMBL_1927386 (CHEMBL4430458)	Inhibition of rat cortex adenosine A1 receptor using [3H]CCPA measured after 90 mins by liquid scintillation counting method
50009967	3	ChEMBL_1927381 (CHEMBL4430453)	Reversible inhibition of recombinant human Adk-short expressed in Escherichia coli BL21[DE3] assessed as [3H]AMP formation preincubated for 15 mins followed by [3H]adenosine addition measured after 30 mins by liquid scintillation counting method
50009967	4	ChEMBL_1927382 (CHEMBL4430454)	Inhibition of rat brain ADK expressed in Escherichia coli
50009967	5	ChEMBL_1927384 (CHEMBL4430456)	Inhibition of Sprague-Dawley rat brain cytosolic Adk using [2-3H]adenosine incubated for 15 mins by scintillation spectrometry
50009967	6	ChEMBL_1927383 (CHEMBL4430455)	Inhibition of recombinant human Adk using [U-14C]adenosine by liquid scintillation counting method
50009968	1	ChEMBL_1927457 (CHEMBL4430529)	Inhibition of human NOD1 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubated for 1 hr followed by addition of C12-iE-DAP measured after 18 hrs by SEAP reporter gene assay
50009968	2	ChEMBL_1927456 (CHEMBL4430528)	Inhibition of human NOD2 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubated for 1 hr followed by addition of C12-iE-DAP measured after 18 hrs by SEAP reporter gene assay
50009970	1	ChEMBL_1927461 (CHEMBL4430533)	Binding affinity to DOR (unknown origin)
50009970	2	ChEMBL_1927465 (CHEMBL4430537)	Displacement of [3H]U69,593 from human KOR expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting
50009970	3	ChEMBL_1927464 (CHEMBL4430536)	Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting
50009970	4	ChEMBL_1927467 (CHEMBL4430539)	Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by EIA method
50009970	5	ChEMBL_1927463 (CHEMBL4430535)	Displacement of [3H]DAMGO from human MOR expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting
50009970	6	ChEMBL_1927460 (CHEMBL4430532)	Binding affinity to MOR (unknown origin)
50009970	7	ChEMBL_1927459 (CHEMBL4430531)	Binding affinity to KOR (unknown origin)
50009970	8	ChEMBL_1927482 (CHEMBL4430554)	Agonist activity at human DOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by EIA method
50009973	1	ChEMBL_1927520 (CHEMBL4430592)	Antagonist activity against human GnRH receptor expressed in HEK293 cells co-transfected with pGL4-NFAT promoter AP1-luc assessed as inhibition of 20 nM GnRH-induced NFAT activation pre-incubated for 1 hr before GnRH stimulation and measured after 6 hrs by luciferase reporter gene assay
50009973	2	ChEMBL_1927519 (CHEMBL4430591)	Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 cell membranes incubated for 1 hr by competitive binding assay
50009973	3	ChEMBL_1927522 (CHEMBL4430594)	Displacement of [125I]D-Trp6-LHRH from monkey GnRH receptor expressed in HEK293 cell membranes incubated for 1 hr by competitive binding assay
50009973	4	ChEMBL_1927523 (CHEMBL4430595)	Displacement of [125I]D-Trp6-LHRH from rat GnRH receptor expressed in HEK293 cell membranes incubated for 1 hr by competitive binding assay
50009973	5	ChEMBL_1927528 (CHEMBL4430600)	Antagonist activity against human GnRH receptor expressed in human Chem1 cells assessed as inhibition of LHRH-induced calcium flux by FLIPR assay
50009973	6	ChEMBL_1927526 (CHEMBL4430598)	Antagonist activity against rat GnRH receptor expressed in HEK293 cells co-transfected with pGL4-NFAT promoter AP1-luc assessed as inhibition of 1 nM GnRH-induced NFAT activation pre-incubated for 1 hr before GnRH stimulation and measured after 6 hrs by luciferase reporter gene assay
50009973	7	ChEMBL_1927524 (CHEMBL4430596)	Antagonist activity against human GnRH receptor expressed in HEK293 cells co-transfected with pGL4-NFAT promoter AP1-luc assessed as inhibition of 1 nM GnRH-induced NFAT activation pre-incubated for 1 hr before GnRH stimulation and measured after 6 hrs by luciferase reporter gene assay
50009973	8	ChEMBL_1927525 (CHEMBL4430597)	Antagonist activity against monkey GnRH receptor expressed in HEK293 cells co-transfected with pGL4-NFAT promoter AP1-luc assessed as inhibition of 10 nM GnRH-induced NFAT activation pre-incubated for 1 hr before GnRH stimulation and measured after 6 hrs by luciferase reporter gene assay
50009973	9	ChEMBL_1927527 (CHEMBL4430599)	Antagonist activity against human GnRH receptor expressed in HEK293 cells assessed as reduction in ERK1/2 phosphorylation pre-incubated for 5 mins before LHRH stimulation for 5 mins by chemiluminescence based assay
50009975	1	ChEMBL_1927573 (CHEMBL4430645)	Inhibition of full length recombinant human HDAC2 expressed in baculovirus expression system using fluorogenic peptide RHKK(Ac) as substrate by fluorescence assay
50009975	2	ChEMBL_1927622 (CHEMBL4430694)	Inhibition of recombinant N-terminal FLAG-tagged human HDAC10 (2 to 631 residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	3	ChEMBL_1927617 (CHEMBL4430689)	Inhibition of recombinant C-terminal His-tagged/N-terminal GST-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	4	ChEMBL_1927572 (CHEMBL4430644)	Inhibition of recombinant full length C-terminal FLAG-tagged/C-terminal His-tagged human HDAC1 using fluorogenic substrate by fluorescence assay
50009975	5	ChEMBL_1927580 (CHEMBL4430652)	Inhibition of recombinant full length C-terminal His-tagged human HDAC2 expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	6	ChEMBL_1927618 (CHEMBL4430690)	Inhibition of recombinant C-terminal His-tagged human HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	7	ChEMBL_1927619 (CHEMBL4430691)	Inhibition of recombinant N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	8	ChEMBL_1927620 (CHEMBL4430692)	Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	9	ChEMBL_1927621 (CHEMBL4430693)	Inhibition of recombinant C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	10	ChEMBL_1927623 (CHEMBL4430695)	Inhibition of full length recombinant human HDAC11 expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	11	ChEMBL_1927624 (CHEMBL4430696)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009975	12	ChEMBL_1927616 (CHEMBL4430688)	Inhibition of recombinant full length C-terminal His-tagged human HDAC3/GST-tagged human Ncor2 (395 to 489 residues) expressed in baculovirus expression system using fluorogenic substrate by fluorescence assay
50009976	1	ChEMBL_1927639 (CHEMBL4430711)	Inhibition of biotinylated VEGF-A165 binding to recombinant NRP1 (unknown origin) measured after 2 hrs by competition binding assay
50009976	2	ChEMBL_1927641 (CHEMBL4430713)	Inhibition of biotinylated VEGF-A165 binding to recombinant KDR (unknown origin) measured after 2 hrs by competition binding assay relative to VEGF-A165
50009978	1	ChEMBL_1927650 (CHEMBL4430722)	Agonist activity at N-terminal Gal4 fused human PPARalpha LBD transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50009978	2	ChEMBL_1927651 (CHEMBL4430723)	Agonist activity at N-terminal Gal4 fused human PPARdelta LBD transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50009978	3	ChEMBL_1927656 (CHEMBL4430728)	Transactivation of human Gal4 fused PPARalpha LBD transfected in human HeLa cells after 7 hrs by dual-luciferase reporter gene assay
50009978	4	ChEMBL_1927655 (CHEMBL4430727)	Transactivation of human Gal4 fused PPARdelta LBD transfected in human HeLa cells after 7 hrs by dual-luciferase reporter gene assay
50009978	5	ChEMBL_1927649 (CHEMBL4430721)	Displacement of [3H]rosiglitazone from PPARgamma (unknown origin)
50009978	6	ChEMBL_1927659 (CHEMBL4430731)	Agonist activity at N-terminal Gal4 fused human PPARgamma LBD transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay
50009979	1	ChEMBL_1927666 (CHEMBL4430738)	Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELISA
50009981	1	ChEMBL_1927697 (CHEMBL4430769)	Displacement of [3H]U69593 from rat KOR expressed in CHO cells
50009981	2	ChEMBL_1927698 (CHEMBL4430770)	Displacement of [3H]DPDPE from human DOR expressed in CHO cells
50009981	3	ChEMBL_1927696 (CHEMBL4430768)	Displacement of [3H]DAMGO from MOR in HEK293 cells
50009981	4	ChEMBL_1927699 (CHEMBL4430771)	Displacement of [3H]Diprenorphine from human MOR expressed in HEK293 cell membranes by liquid scintillation counting
50009981	5	ChEMBL_1927700 (CHEMBL4430772)	Displacement of [3H]Diprenorphine from human KOR expressed in HEK293 cell membranes by liquid scintillation counting
50009982	1	ChEMBL_1927716 (CHEMBL4430788)	Inhibition of porcine kidney microsomal LAP using l-leucine-7-amido-4-methylcoumarin as substrate incubated for 60 mins measured every 3 mins by fluorescence assay
50009982	2	ChEMBL_1927715 (CHEMBL4430787)	Inhibition of porcine kidney microsomal LAP using l-leucine-7-amido-4-methylcoumarin as substrate incubated for 10 hrs measured every 6 mins by fluorescence assay
50009983	1	ChEMBL_1927793 (CHEMBL4430865)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method
50009983	2	ChEMBL_1927792 (CHEMBL4430864)	Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method
50009983	3	ChEMBL_1927803 (CHEMBL4430875)	Displacement of [3H]CP-55,940 from human frontal cortex CB2 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method
50009983	4	ChEMBL_1927800 (CHEMBL4430872)	Binding affinity to CB1 receptor (unknown origin)
50009983	5	ChEMBL_1927801 (CHEMBL4430873)	Binding affinity to CB2 receptor (unknown origin)
50009983	6	ChEMBL_1927804 (CHEMBL4430876)	Displacement of [3H]CP-55,940 from rat brain CB1 receptor after 1 hr by scintillation counting method
50009983	7	ChEMBL_1927807 (CHEMBL4430879)	Displacement of [3H]CP-55,940 from CB1 receptor in CD-1 mouse cerebellum membrane after 1 hr by liquid scintillation counting method
50009983	8	ChEMBL_1927802 (CHEMBL4430874)	Displacement of [3H]CP-55,940 from human U937 cell-derived CB1 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method
50009983	9	ChEMBL_1927808 (CHEMBL4430880)	Displacement of [3H]CP-55,940 from CB2 receptor in CD-1 mouse spleen homogenate after 1 hr by liquid scintillation counting method
50009984	1	ChEMBL_1927835 (CHEMBL4430907)	Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting method
50009984	2	ChEMBL_1927837 (CHEMBL4430909)	Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting method
50009984	3	ChEMBL_1927836 (CHEMBL4430908)	Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 5 mins by liquid scintillation counting method
50009985	1	ChEMBL_1927847 (CHEMBL4430919)	Inhibition of wild type human N-terminal His6-tagged 15-LOX-1 expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis
50009985	2	ChEMBL_1927849 (CHEMBL4430921)	Inhibition of human N-terminal His6-tagged 15-LOX-1 F414I mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis
50009985	3	ChEMBL_1927852 (CHEMBL4430924)	Inhibition of human N-terminal His6-tagged 15-LOX-1 Q547L mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis
50009985	4	ChEMBL_1927853 (CHEMBL4430925)	Inhibition of human N-terminal His6-tagged 15-LOX-1 R404L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis
50009985	5	ChEMBL_1927854 (CHEMBL4430926)	Inhibition of human N-terminal His6-tagged 15-LOX-1 R402L mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis
50009985	6	ChEMBL_1927846 (CHEMBL4430918)	Inhibition of human N-terminal His6-tagged 15-LOX-1 I417A mutant expressed in sf9 cells using arachidonic acid or linoleic acid as substrate by UV-Visible spectrophotometric analysis
50009985	7	ChEMBL_1927845 (CHEMBL4430917)	Inhibition of human N-terminal His6-tagged 15-LOX-1 L407A mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis
50009985	8	ChEMBL_1927851 (CHEMBL4430923)	Inhibition of human N-terminal His6-tagged 15-LOX-1 E356Q mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis
50009985	9	ChEMBL_1927850 (CHEMBL4430922)	Inhibition of human N-terminal His6-tagged 15-LOX-1 F414W mutant expressed in sf9 cells using arachidonic acid as substrate by UV-Visible spectrophotometric analysis
50009986	1	ChEMBL_1927868 (CHEMBL4430940)	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured after 40 mins by 12G5 antibody competition assay
50009989	1	ChEMBL_1927891 (CHEMBL4430963)	Inhibition of ovine COX1 by enzyme immunoassay
50009989	2	ChEMBL_1927892 (CHEMBL4430964)	Inhibition of ovine COX2 by enzyme immunoassay
50009990	1	ChEMBL_1927895 (CHEMBL4430967)	Inhibition of HIV1 integrase
50009990	2	ChEMBL_1927897 (CHEMBL4430969)	Inhibition of recombinant HIV1 RT
50009990	3	ChEMBL_1927894 (CHEMBL4430966)	Inhibition of recombinant HIV1 non-nucleoside reverse transcriptase
50009991	1	ChEMBL_1927908 (CHEMBL4430980)	Displacement of [3H]MSX from A2A receptor in rat brain striatum membranes measured after 30 mins by liquid scintillation counting method
50009991	2	ChEMBL_1927902 (CHEMBL4430974)	Displacement of [3H]CCPA from A1 receptor in rat brain cortex membranes by liquid scintillation counting method
50009991	3	ChEMBL_1927900 (CHEMBL4430972)	Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by liquid scintillation counting method
50009991	4	ChEMBL_1927920 (CHEMBL4430992)	Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane
50009991	5	ChEMBL_1927901 (CHEMBL4430973)	Displacement of [3H]CCPA from rat A1 receptor by liquid scintillation counting method
50009991	6	ChEMBL_1927911 (CHEMBL4430983)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine as substrate measured over 45 mins by Amplex Red MAO assay
50009991	7	ChEMBL_1927913 (CHEMBL4430985)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine as substrate measured over 45 mins by Amplex Red MAO assay
50009991	8	ChEMBL_1927909 (CHEMBL4430981)	Displacement of [3H]MSX from human A2A receptor measured after 30 mins by liquid scintillation counting method
50009991	9	ChEMBL_1927915 (CHEMBL4430987)	Inhibition of recombinant rat MAO-B preincubated for 30 mins followed by addition of p-tyramine as substrate measured over 45 mins by Amplex Red MAO assay
50009991	10	ChEMBL_1927924 (CHEMBL4430996)	Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane
50009991	11	ChEMBL_1927925 (CHEMBL4430997)	Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane by liquid scintillation counting method relative to control
50009991	12	ChEMBL_1927907 (CHEMBL4430979)	Displacement of [3H]MSX from rat A1 receptor measured after 75 mins by liquid scintillation counting method
50009991	13	ChEMBL_1927904 (CHEMBL4430976)	Displacement of [3H]MSX from human A2A receptor
50009991	14	ChEMBL_1927906 (CHEMBL4430978)	Displacement of [3H]MSX from human A2A receptor by liquid scintillation counting method
50009991	15	ChEMBL_1927899 (CHEMBL4430971)	Displacement of [3H]CCPA from rat A1 receptor
50009991	16	ChEMBL_1927898 (CHEMBL4430970)	Displacement of [3H]CCPA from human A1 receptor
50009991	17	ChEMBL_1927921 (CHEMBL4430993)	Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane measured after 75 mins by liquid scintillation counting method
50009991	18	ChEMBL_1927905 (CHEMBL4430977)	Displacement of [3H]MSX from rat A1 receptor
50009994	1	ChEMBL_1927979 (CHEMBL4431051)	Inhibition of human Kv1.5 transfected in mouse LTK cells
50009994	2	ChEMBL_1927981 (CHEMBL4431053)	Inhibition of human ERG expressed in HEK293 cells by thallium flux assay
50009996	1	ChEMBL_1928056 (CHEMBL4431128)	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 50 mins by fluorescence assay
50009996	2	ChEMBL_1928057 (CHEMBL4431129)	Inhibition of FAP (unknown origin) using Nle-Pro-AMC as substrate preincubated for 20 mins followed by substrate addition measured after 40 mins by fluorescence assay
50009997	1	ChEMBL_1928060 (CHEMBL4431132)	Inhibition of His-tagged full length human recombinant GSK3beta using [YRRAAVPPSPSLSRHSSPHQ-(pS)EDEEE] substrate and pre-incubarted for 20 mins before [gamma-33P]ATP addition and measured after 2 hrs by radiometric kinase assay
50009998	1	ChEMBL_1928070 (CHEMBL4431142)	Inhibition of TDP1 (unknown origin) using 14-mer duplex oligonucleotide [32P]-D14Y as substrate incubated for 20 mins by PAGE analysis
50009998	2	ChEMBL_1928072 (CHEMBL4431144)	Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysis
50009998	3	ChEMBL_1928078 (CHEMBL4431150)	Inhibition of human N-terminal His-tagged TDP2 expressed in Escherichia coli JM109(DE3) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate incubated for 60 mins by microplate reader analysis
50009998	4	ChEMBL_1928071 (CHEMBL4431143)	Inhibition of human N-terminal His-tagged TDP1 expressed in Escherichia coli BL21 using [32P]-D14Y duplex DNA as substrate incubated for 20 mins by PAGE analysis
50009998	5	ChEMBL_1928074 (CHEMBL4431146)	Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 15 mins by PAGE analysis
50009998	6	ChEMBL_1928079 (CHEMBL4431151)	Inhibition of human recombinant TDP2 using chromogenic substrate T5PNP by microplate reader analysis
50009998	7	ChEMBL_1928068 (CHEMBL4431140)	Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli Rosetta2(DE3) using 3'-FITC labeled 13-mer DNA as substrate by Gyrasol assay
50009998	8	ChEMBL_1928067 (CHEMBL4431139)	Inhibition of topoisomerase-1 (unknown origin) using pBR 322 DNA as substrate
50009998	9	ChEMBL_1928075 (CHEMBL4431147)	Inhibition of N-terminal His-tagged TDP1 (unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-6-FAM-AGGATCTAAAAGACTT-3BHQ-3' as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50009998	10	ChEMBL_1928076 (CHEMBL4431148)	Inhibition of human recombinant TDP2 using 18-mer single stranded 5'-32P-labeled cordycepin DNA substrate incubated for 15 mins by PAGE analysis
50009998	11	ChEMBL_1928080 (CHEMBL4431152)	Inhibition of TDP2 (unknown origin)
50009999	1	ChEMBL_1928085 (CHEMBL4431157)	Inhibition of recombinant sPLA2-10 (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by colorimetric method
50009999	2	ChEMBL_1928081 (CHEMBL4431153)	Inhibition of recombinant sPLA2-2A (unknown origin) using 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by colorimetric method
50009999	3	ChEMBL_1928102 (CHEMBL4431174)	Inhibition of human recombinant CYP2D6
50009999	4	ChEMBL_1928092 (CHEMBL4431164)	Inhibition of human Nav1.5 expressed in CHO cells by patch clamp assay
50009999	5	ChEMBL_1928091 (CHEMBL4431163)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50009999	6	ChEMBL_1928094 (CHEMBL4431166)	Inhibition of human Kv4.3 expressed in CHO cells by patch clamp assay
50009999	7	ChEMBL_1928099 (CHEMBL4431171)	Inhibition of human recombinant CYP3A4
50009999	8	ChEMBL_1928100 (CHEMBL4431172)	Inhibition of human recombinant CYP2C9
50009999	9	ChEMBL_1928101 (CHEMBL4431173)	Inhibition of human recombinant CYP2C19
50009999	10	ChEMBL_1928098 (CHEMBL4431170)	Inhibition of human recombinant CYP2C8
50009999	11	ChEMBL_1928103 (CHEMBL4431175)	Inhibition of human OATP1B1 expressed in HEK293 cells assessed as reduction in pivastatin uptake
50009999	12	ChEMBL_1928128 (CHEMBL4431200)	Inhibition of sPLA2 in atherosclerotic plaque from coronary artery disease patient
50009999	13	ChEMBL_1928096 (CHEMBL4431168)	Inhibition of human Cav1.2 expressed in CHO cells by patch clamp assay
50009999	14	ChEMBL_1928097 (CHEMBL4431169)	Inhibition of human recombinant CYP1A2
50009999	15	ChEMBL_1928127 (CHEMBL4431199)	Inhibition of sPLA2 in human HepG2 cells
50009999	16	ChEMBL_1928095 (CHEMBL4431167)	Inhibition of human Cav3.2 expressed in CHO cells by patch clamp assay
50010001	1	ChEMBL_1928132 (CHEMBL4431204)	Displacement of [3H]MLA from human alpha7 nAChR transfected in human SH-SY5Y cell membranes after 120 mins by liquid scintillation counting
50010001	2	ChEMBL_1928133 (CHEMBL4431205)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting
50010001	3	ChEMBL_1928134 (CHEMBL4431206)	Displacement of [3H]epibatidine from human alpha4beta2 nAChR transfected in HEK293 cell membranes after 120 mins by liquid scintillation counting
50010001	4	ChEMBL_1928146 (CHEMBL4431218)	Binding affinity to alpha3beta4 nAChR (unknown origin)
50010001	5	ChEMBL_1928148 (CHEMBL4431220)	Binding affinity to alpha7 nAChR (unknown origin)
50010001	6	ChEMBL_1928138 (CHEMBL4431210)	Displacement of [3H]A-585539 from alpha7 nAChR in human cerebral cortex membranes after 75 mins by scintillation counting
50010001	7	ChEMBL_1928150 (CHEMBL4431222)	Displacement of [3H] epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells
50010001	8	ChEMBL_1928141 (CHEMBL4431213)	Displacement of [3H] epibatidine from alpha7 nAChR (unknown origin) expressed in HEK293 cells
50010001	9	ChEMBL_1928147 (CHEMBL4431219)	Binding affinity to alpha4beta2 nAChR (unknown origin)
50010001	10	ChEMBL_1928143 (CHEMBL4431215)	Displacement of [3H]MLA from alpha7 nAChR in rat brain membranes after 2 hrs
50010001	11	ChEMBL_1928142 (CHEMBL4431214)	Displacement of [3H]-nicotine from alpha4beta2 nAChR in rat cortical membranes
50010001	12	ChEMBL_1928140 (CHEMBL4431212)	Displacement of [3H]MLA from alpha7 nAChR in rat hippocampal membranes
50010001	13	ChEMBL_1928149 (CHEMBL4431221)	Displacement of [3H] epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells
50010001	14	ChEMBL_1928145 (CHEMBL4431217)	Displacement of [3H]-(+/-)-epibatidine from human recombinant alpha4beta2 nAChR expressed in HEKtsA201 cells after 1 hr by CNiFERs binding assay
50010001	15	ChEMBL_1928139 (CHEMBL4431211)	Displacement of [3H]cytisine from alpha4beta2 nAChR in Sprague-Dawley rat brain membranes after 75 mins by scintillation counting
50010001	16	ChEMBL_1928144 (CHEMBL4431216)	Displacement of [3H]MLA from human recombinant alpha7 nAChR expressed in HEKtsA201 cells after 1 hr by CNiFERs binding assay
50010002	1	ChEMBL_1928156 (CHEMBL4431228)	Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay
50010002	2	ChEMBL_1928157 (CHEMBL4431229)	Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay
50010002	3	ChEMBL_1928158 (CHEMBL4431230)	Inhibition of LDHA in human MiPaca2 cells assessed as inhibition of lactate production
50010003	1	ChEMBL_1928186 (CHEMBL4431258)	Inhibition of HDAC8 (unknown origin) using fluorophore-conjugated substrate by fluorescence assay
50010003	2	ChEMBL_1928185 (CHEMBL4431257)	Inhibition of HDAC7 (unknown origin)
50010003	3	ChEMBL_1928180 (CHEMBL4431252)	Inhibition of recombinant full length human HDAC2 expressed in sf9 cells using fluorophore-conjugated substrate by fluorescence assay
50010003	4	ChEMBL_1928187 (CHEMBL4431259)	Inhibition of HDAC9 (unknown origin)
50010003	5	ChEMBL_1928184 (CHEMBL4431256)	Inhibition of HDAC5 (unknown origin)
50010003	6	ChEMBL_1928183 (CHEMBL4431255)	Inhibition of HDAC4 (unknown origin)
50010003	7	ChEMBL_1928182 (CHEMBL4431254)	Inhibition of recombinant full length human HDAC6 expressed in sf9 cells using fluorophore-conjugated substrate by fluorescence assay
50010003	8	ChEMBL_1928178 (CHEMBL4431250)	Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by trypsin-coupled fluorescence assay
50010003	9	ChEMBL_1928189 (CHEMBL4431261)	Inhibition of HDAC1 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by trypsin-coupled fluorescence assay
50010003	10	ChEMBL_1928181 (CHEMBL4431253)	Inhibition of recombinant full length human C-terminal His-tagged HDAC3 expressed in sf9 cells co-expressing human N-terminal GST-tagged NCOR2 (395 to 489 residues) using fluorophore-conjugated substrate by fluorescence assay
50010003	11	ChEMBL_1928179 (CHEMBL4431251)	Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using fluorophore-conjugated substrate by fluorescence assay
50010003	12	ChEMBL_1928188 (CHEMBL4431260)	Inhibition of HDAC6 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by trypsin-coupled fluorescence assay
50010004	1	ChEMBL_1928193 (CHEMBL4431265)	Inhibition of human recombinant JAK1 using Ulight-CAGAGAIETDKEYYTVKD as substrate by LANCE assay
50010004	2	ChEMBL_1928194 (CHEMBL4431266)	Inhibition of human recombinant JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate by LANCE assay
50010004	3	ChEMBL_1928195 (CHEMBL4431267)	Inhibition of human recombinant JAK3 using Ulight-CAGAGAIETDKEYYTVKD as substrate by LANCE assay
50010005	1	ChEMBL_1928357 (CHEMBL4431533)	Inhibition of Dengue virus 1 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed by addition of substrate measured after 60 mins by fluorescence assay
50010005	2	ChEMBL_1928397 (CHEMBL4431573)	Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting analysis
50010005	3	ChEMBL_1928322 (CHEMBL4431498)	Inhibition of RNA unwinding activity of thioredoxin/His6 tagged Dengue virus 2 TSV01 NS3 helicase (171 to 618 residues) expressed in Escherichia coli Rosetta (DE3) using Cy5-MBHA as substrate by fluorescence assay
50010005	4	ChEMBL_1928352 (CHEMBL4431528)	Inhibition of Dengue virus 2 NS3 helicase incubated for 2 mins followed by ATP addition
50010005	5	ChEMBL_1928358 (CHEMBL4431534)	Inhibition of Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed by addition of substrate measured after 60 mins by fluorescence assay
50010005	6	ChEMBL_1928359 (CHEMBL4431535)	Inhibition of Dengue virus 3 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed by addition of substrate measured after 60 mins by fluorescence assay
50010005	7	ChEMBL_1928360 (CHEMBL4431536)	Inhibition of Dengue virus 4 NS2B-NS3 protease expressed in Escherichia coli using Abz-RRRRSAG-nY-NH2 as substrate preincubated for 20 mins followed by addition of substrate measured after 60 mins by fluorescence assay
50010005	8	ChEMBL_1928361 (CHEMBL4431537)	Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by addition of substrate measured after 15 mins by fluorescence assay
50010005	9	ChEMBL_1928362 (CHEMBL4431538)	Inhibition of Dengue virus 2 Taiwanese PL046 NS2B-NS3 protease using Ac-TTSTRR-pNA as substrate preincubated for 10 mins followed by addition of substrate measured after 2 hrs
50010005	10	ChEMBL_1928369 (CHEMBL4431545)	Inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3)-RIPL cells using Pyr-RTKR-AMC as substrate preincubated for 30 mins followed by addition of substrate
50010005	11	ChEMBL_1928468 (CHEMBL4431644)	Non-competitive inhibition of Dengue virus 4 NS3 helicase
50010005	12	ChEMBL_1928356 (CHEMBL4431532)	Inhibition of recombinant Dengue virus type 2 NS2B-NS3 protease expressed in Escherichia coli C41 cells using GRR-AMC as substrate after 15 mins by fluorescence assay
50010005	13	ChEMBL_1928351 (CHEMBL4431527)	Non-competitive inhibition of Dengue virus 3 NS3 helicase
50010005	14	ChEMBL_1928372 (CHEMBL4431548)	Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzyme-inhibitor complex after 30 mins by spectrofluorometry
50010005	15	ChEMBL_1928377 (CHEMBL4431553)	Inhibition of Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrate after 10 mins by fluorescence assay
50010005	16	ChEMBL_1928380 (CHEMBL4431556)	Inhibition of Dengue virus 2 GFP/DsRed fused NS2B-NS3 protease co-transfected in HEK293T cells by Western blot analysis
50010005	17	ChEMBL_1928401 (CHEMBL4431577)	Inhibition of N-terminal GST tagged recombinant Dengue virus 3 2'-O methyltransferase expressed in Escherichia coli BL21 cells by scintillation counting analysis
50010005	18	ChEMBL_1928467 (CHEMBL4431643)	Mixed noncompetitive inhibition of the Dengue virus 2 NS2B-NS3 protease expressed in Escherichia coli using Boc-GRR-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 30 mins by Michaelis-Menten plot analysis
50010005	19	ChEMBL_1928373 (CHEMBL4431549)	Inhibition of recombinant Dengue virus 2 S-16803 NS2B-NS3 protease using Bz-nKRRAMC as substrate preincubated with enzyme followed by substrate addition measured after 20 mins by fluorescence assay
50010005	20	ChEMBL_1928378 (CHEMBL4431554)	Inhibition of Dengue virus 3 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using PhAc-Lys-Arg-Arg-AMC as substrate after 10 mins by fluorescence assay
50010006	1	ChEMBL_1928521 (CHEMBL4431697)	Modulation of gamma-secretase in human SK-N-BE(2) cells expressing human APP695 assessed as reduction in amyloid beta 42 production incubated overnight by sandwich immunoassay
50010006	2	ChEMBL_1928511 (CHEMBL4431687)	Modulation of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 42 residues) production
50010006	3	ChEMBL_1928510 (CHEMBL4431686)	Modulation of gamma-secretase in human H4 cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 16 to 18 hrs by sandwich ELISA
50010006	4	ChEMBL_1928528 (CHEMBL4431704)	Modulation of gamma-secretase in human H4 cells expressing human APP695 assessed as inhibition of amyloid beta 42 production after 16 hrs by sandwich ELISA
50010006	5	ChEMBL_1928518 (CHEMBL4431694)	Modulation of gamma-secretase in human SH-SY5Y cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 24 hrs by sandwich ELISA
50010006	6	ChEMBL_1928504 (CHEMBL4431680)	Modulation of gamma-secretase in human H4 cells expressing APP K595N/M596L Swedish mutant assessed as inhibition of amyloid beta 42 production measured after overnight incubation
50010006	7	ChEMBL_1928524 (CHEMBL4431700)	Modulation of gamma-secretase in CHO cells expressing human APP assessed as reduction in amyloid beta (1 to 42 residues) production after 24 hrs by ELISA
50010006	8	ChEMBL_1928520 (CHEMBL4431696)	Modulation of gamma-secretase in human SH-SY5Y cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 16 to 18 hrs by ELISA
50010006	9	ChEMBL_1928516 (CHEMBL4431692)	Modulation of gamma-secretase in human SH-SY5Y cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 18 to 22 hrs by sandwich ELISA
50010006	10	ChEMBL_1928509 (CHEMBL4431685)	Modulation of gamma-secretase in human H4 cells expressing human APP695 assessed as reduction in amyloid beta 42 production after 22 hrs by electrochemiluminescence assay
50010006	11	ChEMBL_1928503 (CHEMBL4431679)	Modulation of human gamma-secretase assessed as inhibition of amyloid beta (1 to 42 residues) production by ELISA
50010006	12	ChEMBL_1928505 (CHEMBL4431681)	Modulation of gamma-secretase in human H4 cells expressing human APP751 assessed as inhibition of amyloid beta 42 production after 16 to 18 hrs by ELISA
50010006	13	ChEMBL_1928527 (CHEMBL4431703)	Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta 42 production by ELISA
50010006	14	ChEMBL_1928515 (CHEMBL4431691)	Modulation of gamma-secretase (unknown origin) assessed as inhibition of amyloid beta 42 production
50010007	1	ChEMBL_1928565 (CHEMBL4431741)	Inhibition of human recombinant PTP1B catalytic domain expressed in Escherichia coli strain BL21(DE3) using pNNP as substrate
50010008	1	ChEMBL_1928598 (CHEMBL4431774)	Antagonist activity at ET-B receptor (unknown origin)
50010008	2	ChEMBL_1928602 (CHEMBL4431778)	Displacement of [125I]ET-1 from ET-A receptor in human SK-N-MC cells incubated for 4 hrs by gamma counting method
50010008	3	ChEMBL_1928597 (CHEMBL4431773)	Antagonist activity at ET-A receptor (unknown origin)
50010008	4	ChEMBL_1928608 (CHEMBL4431784)	Displacement of [125I]ET-3 from human ET-B receptor expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counting method
50010008	5	ChEMBL_1928607 (CHEMBL4431783)	Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membrane incubated for 30 mins by liquid scintillation counting method
50010008	6	ChEMBL_1928604 (CHEMBL4431780)	Displacement of [125I]ET-1 from human ET-B receptor expressed in CHO cell membrane incubated for 2 hrs
50010008	7	ChEMBL_1928599 (CHEMBL4431775)	Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membrane
50010008	8	ChEMBL_1928601 (CHEMBL4431777)	Displacement of [125I]ET-1 from ET-B receptor in human Girardi heart cells incubated for 4 hrs by gamma counting method
50010008	9	ChEMBL_1928605 (CHEMBL4431781)	Displacement of [125I]ET-1 from ET-A receptor in RASMC incubated for 60 mins
50010008	10	ChEMBL_1928603 (CHEMBL4431779)	Displacement of [125I]ET-1 from human ET-A receptor expressed in CHO cell membrane incubated for 2 hrs
50010010	1	ChEMBL_1928615 (CHEMBL4431791)	Inhibition of human ERG
50010010	2	ChEMBL_1928610 (CHEMBL4431786)	Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay
50010010	3	ChEMBL_1928611 (CHEMBL4431787)	Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assay
50010010	4	ChEMBL_1928640 (CHEMBL4431816)	Inhibition of wild type hemagglutinin-tagged Toxoplasma gondii RH CDPK1 assessed as parasite growth inhibition infected in human foreskin fibroblasts after 44 hrs by beta-galactosidase reporter gene assay
50010010	5	ChEMBL_1928644 (CHEMBL4431820)	Inhibition of human PKD3
50010011	1	ChEMBL_1928697 (CHEMBL4431873)	Binding affinity to recombinant Plasmodium falciparum Hsp90 expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assay
50010011	2	ChEMBL_1928698 (CHEMBL4431874)	Binding affinity to recombinant human Hsp90 beta expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assay
50010012	1	ChEMBL_1928750 (CHEMBL4431926)	Inhibition of rat mitochondrial MAO-B using DAB as substrate incubated for 30 mins by HPLC analysis
50010013	1	ChEMBL_1928761 (CHEMBL4431937)	Inhibition of SHP2 in human KYSE520 cells assessed as inhibition of ERK phosphorylation measured after 2 hrs by AlphaScreen assay
50010013	2	ChEMBL_1928760 (CHEMBL4431936)	Inhibition of human 6his-tagged SHP2 (2 to 593 residues) expressed in Escherichia coli BL21 Star (DE3) cells preincubated with IRS1_pY1172(dPEG8)pY1222 for 30 to 60 mins followed by addition of DiFMUP measured after 30 mins by fluorescence analysis
50010013	3	ChEMBL_1928773 (CHEMBL4431949)	Inhibition of human SHP2 PTP domain (237 to 529 residues) by fluorescence analysis
50010015	1	ChEMBL_1928778 (CHEMBL4431954)	Inhibition of PARP1 in human A549 cells assessed as potentiation of TMZ-mediated cytotoxicity by measuring TMZ IC50 for growth inhibition at 0.5 uM by SRB assay (Rvb TMZ IC50 = 295 uM)
50010015	2	ChEMBL_1928774 (CHEMBL4431950)	Inhibition of PARP1 (unknown origin)
50010017	1	ChEMBL_1928805 (CHEMBL4431981)	Inhibition of equine BuChE using ACTI as substrate preincubated for 29 mins followed by substrate addition measured at 1 min intervals for 10 mins by Ellman's assay
50010017	2	ChEMBL_1928816 (CHEMBL4431992)	Inhibition of electric eel AChE using ACTI as substrate preincubated for 29 mins followed by substrate addition measured at 1 min intervals for 10 mins by Ellman's assay
50010017	3	ChEMBL_1928807 (CHEMBL4431983)	Inhibition of human BuChE using ACTI as substrate incubated for 40 mins measured at 1 min intervals for 10 mins by Ellman's assay
50010017	4	ChEMBL_1928808 (CHEMBL4431984)	Inhibition of human AChE using ACTI as substrate incubated for 40 mins measured at 1 min intervals for 10 mins by Ellman's assay
50010020	1	ChEMBL_1928829 (CHEMBL4432005)	Inhibition of human ERG in membranes incubated for 2 hrs by fluorescence polarization assay
50010020	2	ChEMBL_1928854 (CHEMBL4432030)	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50010020	3	ChEMBL_1928852 (CHEMBL4432028)	Inhibition of human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50010020	4	ChEMBL_1928853 (CHEMBL4432029)	Inhibition of human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50010020	5	ChEMBL_1928855 (CHEMBL4432031)	Inhibition of human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50010020	6	ChEMBL_1928851 (CHEMBL4432027)	Inhibition of human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cells incubated for 30 mins by luciferase assay
50010020	7	ChEMBL_1928819 (CHEMBL4431995)	Inhibition of human DHFR using folic aid as substrate by spectrophotometric analysis
50010021	1	ChEMBL_1928888 (CHEMBL4432064)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50010021	2	ChEMBL_1928887 (CHEMBL4432063)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50010021	3	ChEMBL_1928889 (CHEMBL4432065)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50010021	4	ChEMBL_1928890 (CHEMBL4432066)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay
50010023	1	ChEMBL_1928899 (CHEMBL4432075)	Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetry
50010023	2	ChEMBL_1928900 (CHEMBL4432076)	Inhibition of human ERG channel
50010023	3	ChEMBL_1928891 (CHEMBL4432067)	Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as substrate incubated for 1 hr by fluorescence assay
50010023	4	ChEMBL_1928893 (CHEMBL4432069)	Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysis
50010023	5	ChEMBL_1928903 (CHEMBL4432079)	Inhibition of M2 receptor (unknown origin)
50010023	6	ChEMBL_1928902 (CHEMBL4432078)	Inhibition of M1 receptor (unknown origin)
50010023	7	ChEMBL_1928904 (CHEMBL4432080)	Inhibition of M3 receptor (unknown origin)
50010025	1	ChEMBL_1928944 (CHEMBL4432120)	Inhibition of CYP2C19 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50010025	2	ChEMBL_1928941 (CHEMBL4432117)	Inhibition of CYP3A4 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50010025	3	ChEMBL_1928942 (CHEMBL4432118)	Inhibition of CYP2D6 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50010025	4	ChEMBL_1928945 (CHEMBL4432121)	Inhibition of CYP1A2 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50010025	5	ChEMBL_1928943 (CHEMBL4432119)	Inhibition of CYP2C9 in human liver microsomes using substrate preincubated for 10 mins followed by NADPH addition measured after 30 mins by LC-MS/MS analysis
50010026	1	ChEMBL_1928967 (CHEMBL4432143)	Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue fluorescence analysis
50010026	2	ChEMBL_1928982 (CHEMBL4432158)	Inhibition of GARFTase in human KB cells expressing RFC/FR-alpha/PCFT assessed as decrease in incorporation of [14C(U)]-glycine into [14C]formyl GAR incubated for 1 hr followed by addition of [14C(U)]-glycine measured after 16 hrs in presence of azaserine
50010026	3	ChEMBL_1928981 (CHEMBL4432157)	Inhibition of [3H]MTX uptake at human PCFT expressed in Chinese hamster R2/PCFT4 cells at pH 5.5 measured after 5 mins by Dixon plot analysis
50010026	4	ChEMBL_1928983 (CHEMBL4432159)	Inhibition of recombinant N-terminal 6His-tagged human GARFTase assessed as formation of 5,8-dideazafolate from 10-formyl-5,8-dideazafolic acid measured at every 15 seconds over 20 min by spectrophotometric analysis
50010026	5	ChEMBL_1928966 (CHEMBL4432142)	Inhibition of human FR-alpha receptor expressed in Chinese hamster RT16 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue fluorescence analysis
50010026	6	ChEMBL_1928965 (CHEMBL4432141)	Inhibition of human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue fluorescence analysis
50010026	7	ChEMBL_1928968 (CHEMBL4432144)	Inhibition of human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as antiproliferative activity measured as reduction in cell viability after 96 hrs by Cell-Titer Blue fluorescence analysis
50010028	1	ChEMBL_1929005 (CHEMBL4432181)	Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis
50010028	2	ChEMBL_1929004 (CHEMBL4432180)	Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis
50010032	1	ChEMBL_1929026 (CHEMBL4432202)	Displacement of Eu-INSL5 from human RXFP4 receptor expressed in CHOK1 cells by time-resolved fluorescent whole cell binding assay
50010032	2	ChEMBL_1929028 (CHEMBL4432204)	Agonist activity at RXFP1 receptor (unknown origin) expressed in HEK-293T cells cotransfected with beta-galactosidase assessed as cAMP activation by beta-galactosidase reporter gene assay
50010032	3	ChEMBL_1929024 (CHEMBL4432200)	Displacement of Eu-H3/15 from human RXFP3 receptor expressed in CHOK1 cells by time-resolved fluorescent whole cell binding assay
50010032	4	ChEMBL_1929025 (CHEMBL4432201)	Agonist activity at human RXFP3 receptor expressed in CHOK1 cells cotransfected with beta-galactosidase assessed as inhibition of forskolin-stimulated cAMP by beta-galactosidase reporter gene assay
50010032	5	ChEMBL_1929027 (CHEMBL4432203)	Agonist activity at human RXFP4 receptor expressed in CHOK1 cells cotransfected with beta-galactosidase assessed as inhibition of forskolin-stimulated cAMP by beta-galactosidase reporter gene assay
50010032	6	ChEMBL_1929030 (CHEMBL4432206)	Agonist activity at human RXFP3 receptor expressed in CHOK1 cells assessed as ERK1/2 phosphorylation incubated for 5 mins by alphascreen surefire assay
50010033	1	ChEMBL_1929056 (CHEMBL4432232)	Displacement of [3H]-CP55940 from human CB1 receptor
50010033	2	ChEMBL_1929057 (CHEMBL4432233)	Displacement of [3H]-CP55940 from human CB2 receptor
50010033	3	ChEMBL_1929059 (CHEMBL4432235)	Agonist activity at human CB1R expressed in CHO cells by Ca2+ flux assay
50010033	4	ChEMBL_1929060 (CHEMBL4432236)	Agonist activity at human CB2R expressed in CHO cells by Ca2+ flux assay
50010033	5	ChEMBL_1929063 (CHEMBL4432239)	Displacement of [3H]-CP55940 from rat CB1 receptor
50010034	1	ChEMBL_1929073 (CHEMBL4432249)	Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-urea-inhibitor complex by non-linear fitting analysis
50010034	2	ChEMBL_1929068 (CHEMBL4432244)	Inhibition of Helicobacter pylori urease using urea as substrate assessed as ammonia production after 50 mins by indophenol method
50010034	3	ChEMBL_1929070 (CHEMBL4432246)	Substrate inhibition of Helicobacter pylori urease in presence of >4 mM urea by indophenol method
50010034	4	ChEMBL_1929072 (CHEMBL4432248)	Inhibition of Helicobacter pylori urease using urea as substrate assessed as inhibition constant for enzyme-inhibitor complex by non-linear fitting analysis
50010035	1	ChEMBL_1929076 (CHEMBL4432252)	Inhibition of full length human KDM5A using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 1 uM of 2-OG as co-substrate by TR-FRET assay
50010035	2	ChEMBL_1929081 (CHEMBL4432257)	Inhibition of full length human KDM2B using biotinylated H2N-RKSAPATGGV(KMe2)KPHRYRPGTV-NTPEGBiot as substrate after 2 hrs using 0.3 uM of 2-OG as co-substrate by TR-FRET assay
50010035	3	ChEMBL_1929080 (CHEMBL4432256)	Inhibition of full length human KDM4C using biotinylated H2N-ARTKQTAR(KMe3)STGGKAPRKQLA-NTPEGBiot as substrate after 30 mins using 3 uM of 2-OG as co-substrate by TR-FRET assay
50010035	4	ChEMBL_1929079 (CHEMBL4432255)	Inhibition of full length human KDM5C using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 1 uM of 2-OG as co-substrate by TR-FRET assay
50010035	5	ChEMBL_1929088 (CHEMBL4432264)	Inhibition of full length human KDM5A using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 20 uM of 2-OG as co-substrate by TR-FRET assay
50010035	6	ChEMBL_1929078 (CHEMBL4432254)	Inhibition of full length human KDM5B using biotinylated H2NART(KMe3)QTARKSTGGKAPRKQLA-NTPEG-biotin as substrate after 30 to 40 mins using 2 uM of 2-OG as co-substrate by TR-FRET assay
50010037	1	ChEMBL_1929092 (CHEMBL4432268)	Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP1 expressed in Escherichia coli NEB cells by surface plasmon resonance method
50010037	2	ChEMBL_1929090 (CHEMBL4432266)	Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by surface plasmon resonance method
50010037	3	ChEMBL_1929099 (CHEMBL4432275)	Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by 2 site binding model based surface plasmon resonance method
50010037	4	ChEMBL_1929098 (CHEMBL4432274)	Binding affinity to recombinant human N-terminal His6 and Avi-tagged FABP6 expressed in Escherichia coli NEB cells by 1 site binding model based surface plasmon resonance method
50010038	1	ChEMBL_1929124 (CHEMBL4432300)	Inhibition of recombinant Trypanosoma cruzi triosephosphate isomerase assessed as reduction of DHAP after 2 hrs by measuring NADH consumption by alpha-glycerolphosphate dehydrogenase coupled assay
50010040	1	ChEMBL_1929130 (CHEMBL4432306)	Antagonist activity at human muscarinic M5 receptor assessed as inhibition of acetylcholine-induced calcium response
50010040	2	ChEMBL_1929132 (CHEMBL4432308)	Antagonist activity at human muscarinic M2 receptor assessed as inhibition of acetylcholine-induced calcium response
50010040	3	ChEMBL_1929133 (CHEMBL4432309)	Antagonist activity at human muscarinic M3 receptor assessed as inhibition of acetylcholine-induced calcium response
50010040	4	ChEMBL_1929134 (CHEMBL4432310)	Antagonist activity at human muscarinic M4 receptor assessed as inhibition of acetylcholine-induced calcium response
50010040	5	ChEMBL_1929131 (CHEMBL4432307)	Antagonist activity at human muscarinic M1 receptor assessed as inhibition of acetylcholine-induced calcium response
50010040	6	ChEMBL_1929137 (CHEMBL4432313)	Displacement of [3H]NMS from human muscarinic M5 receptor
50010041	3	ChEMBL_1929162 (CHEMBL4432338)	Antagonist activity against HIV-1 Vif in human CEM cells assessed as inhibition of viral infection
50010043	1	ChEMBL_1929173 (CHEMBL4432349)	Activation of glucagon receptor (unknown origin) transfected in HEK293 cells coinfected with luciferase reporter gene linked CRE element assessed as cAMP accumulation after 5 hrs in presence of luclite substrate by liquid scintillation counting
50010045	1	ChEMBL_1929224 (CHEMBL4432400)	Inhibition of acetylcholinesterase in Albino LACA mouse brain homogenates using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's method
50010045	2	ChEMBL_1929225 (CHEMBL4432401)	Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellmans method
50010045	3	ChEMBL_1929226 (CHEMBL4432402)	Inhibition of acetylcholinesterase (unknown origin)
50010048	1	ChEMBL_1929232 (CHEMBL4432408)	Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase
50010048	2	ChEMBL_1929233 (CHEMBL4432409)	Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase
50010048	3	ChEMBL_1929235 (CHEMBL4432411)	Inhibition of HCV genotype 3a NZL1 NS5B RNA dependent RNA polymerase
50010048	4	ChEMBL_1929236 (CHEMBL4432412)	Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase
50010048	5	ChEMBL_1929234 (CHEMBL4432410)	Inhibition of HCV genotype 2a JFH NS5B RNA dependent RNA polymerase
50010048	6	ChEMBL_1929237 (CHEMBL4432413)	Inhibition of HCV NS5B RNA dependent RNA polymerase
50010051	1	ChEMBL_1929250 (CHEMBL4432426)	Inhibition of LSD1 (unknown origin)
50010052	1	ChEMBL_1929276 (CHEMBL4432452)	Inhibition of EGFR phosphorylation in EGF-stimulated human KB cells preincubated for 1 hr followed by EGF stimulation measured after 6 mins by ELISA
50010052	2	ChEMBL_1929288 (CHEMBL4432464)	Inhibition of HER2 (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 40 mins by caliper motility shift assay
50010052	3	ChEMBL_1929287 (CHEMBL4432463)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 40 mins by caliper motility shift assay
50010053	1	ChEMBL_1929290 (CHEMBL4432466)	Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis
50010053	2	ChEMBL_1929289 (CHEMBL4432465)	Inhibition of [3H]DTBZ binding to VMAT2 in rat whole brain homogenate (excluding cerebellum) after 30 mins by liquid scintillation spectrometric analysis
50010053	3	ChEMBL_1929293 (CHEMBL4432469)	Inhibition of [3H]dofetilide binding to human ERG expressed in HEK293 cell membranes after 60 mins by liquid scintillation spectrometric analysis
50010053	4	ChEMBL_1929292 (CHEMBL4432468)	Inhibition of SERT in rat striatal synaptosomes assessed as reduction in [3H]5-HT uptake preincubated for 5 mins followed by [3H]5-HT addition measured after 10 mins by liquid scintillation spectrometric analysis
50010053	5	ChEMBL_1929291 (CHEMBL4432467)	Inhibition of DAT in rat striatal synaptosomes assessed as reduction in [3H]DA uptake preincubated for 5 mins followed by [3H]DA addition measured after 10 mins by liquid scintillation spectrometric analysis
50010054	1	ChEMBL_1929299 (CHEMBL4432475)	Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA
50010054	2	ChEMBL_1929319 (CHEMBL4432495)	Inhibition of c-Met (unknown origin)
50010055	1	ChEMBL_1929331 (CHEMBL4432507)	Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate preincubated for 2 hrs followed by substrate addition measured after 2 hrs by Berthelot assay
50010055	2	ChEMBL_1929328 (CHEMBL4432504)	Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell urea splitting activity after 2 hrs by Berthelot assay
50010055	3	ChEMBL_1929329 (CHEMBL4432505)	Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 using urea as substrate assessed as transformed cell urea splitting activity preincubated for 2 hrs followed by substrate addition measured after 2 hrs by Berthelot assay
50010055	4	ChEMBL_1929330 (CHEMBL4432506)	Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as substrate after 2 hrs by Berthelot assay
50010055	5	ChEMBL_1929320 (CHEMBL4432496)	Inhibition of Helicobacter pylori ATCC 43504 urease assessed as amount of ammonia after 15 mins by indophenol method
50010055	6	ChEMBL_1929327 (CHEMBL4432503)	Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia coli rosetta DE3 after 120 mins by Berthelot colorimetric analysis
50010058	1	ChEMBL_1929333 (CHEMBL4432509)	Inhibition of 6x-His tagged human recombinant full length Hsp90alpha ATPase preincubated for 0.5 hrs followed by ATP addition measured after 30 mins by HTRF assay
50010058	2	ChEMBL_1929334 (CHEMBL4432510)	Binding affinity to human recombinant full length biotinylated Hsp90alpha assessed as equilibrium dissociation constants by biolayer interferometric analysis
50010059	1	ChEMBL_1929378 (CHEMBL4432554)	Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 tandem domain (44 to 460 residues) (unknown origin) incubated for 1 hr by fluorescence polarization assay
50010059	2	ChEMBL_1929379 (CHEMBL4432555)	Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 1 (44 to 460 residues) N140A mutant (unknown origin) incubated for 1 hr by fluorescence polarization assay
50010059	3	ChEMBL_1929380 (CHEMBL4432556)	Displacement of Alexa647-labeled JQ1 derivative from wild type BRD4 bromodomain 2 (44 to 460 residues) N433A mutant (unknown origin) incubated for 1 hr by fluorescence polarization assay
50010059	4	ChEMBL_1929382 (CHEMBL4432558)	Inhibition of BRD4 in human MCF7 cells assessed as down regulation of ERalpha after 18 to 24 hrs by Hoechst staining based cellomics arrayscan analysis
50010059	5	ChEMBL_1929383 (CHEMBL4432559)	Inhibition of BRD4 in human MM1S cells assessed as down regulation of c-Myc incubated for 16 hrs by flow cytometry
50010059	6	ChEMBL_1929407 (CHEMBL4432583)	Inhibition of human BRD3 bromodomain 1 expressed in bacterial expression system
50010059	7	ChEMBL_1929381 (CHEMBL4432557)	Inhibition of BRD4 in human LNCAP cells assessed as down regulation of nuclear AR level by immunofluorescence assay
50010059	8	ChEMBL_1929415 (CHEMBL4432591)	Inhibition of human CREBBP expressed in bacterial expression system
50010059	9	ChEMBL_1929414 (CHEMBL4432590)	Inhibition of human BRD9 expressed in bacterial expression system
50010059	10	ChEMBL_1929408 (CHEMBL4432584)	Inhibition of human BRD4 bromodomain 1 expressed in bacterial expression system
50010059	11	ChEMBL_1929410 (CHEMBL4432586)	Inhibition of human BRD4 bromodomain 2 expressed in bacterial expression system
50010059	12	ChEMBL_1929411 (CHEMBL4432587)	Inhibition of human BRD2 bromodomain 2 expressed in bacterial expression system
50010059	13	ChEMBL_1929413 (CHEMBL4432589)	Inhibition of human BRD3 bromodomain 2 expressed in bacterial expression system
50010059	14	ChEMBL_1929406 (CHEMBL4432582)	Inhibition of human BRD2 bromodomain 1 expressed in bacterial expression system
50010059	15	ChEMBL_1929416 (CHEMBL4432592)	Inhibition of human EP300 expressed in bacterial expression system
50010059	16	ChEMBL_1929409 (CHEMBL4432585)	Inhibition of human BRDT bromodomain 1 expressed in bacterial expression system
50010059	17	ChEMBL_1929412 (CHEMBL4432588)	Inhibition of human BRDT bromodomain 2 expressed in bacterial expression system
50010059	18	ChEMBL_1929417 (CHEMBL4432593)	Inhibition of human TAF1L bromodomain 2 expressed in bacterial expression system
50010059	19	ChEMBL_1929395 (CHEMBL4432571)	Inhibition of human TAF1 bromodomain 2 expressed in bacterial expression system
50010060	1	ChEMBL_1929423 (CHEMBL4432599)	Inhibition of Shh-N-induced Gli1 (unknown origin) expressed in mouse Shh Light2 cells assessed as Gli1-mediated mediated transcription incubated for 30 hrs by firefly luciferase assay
50010061	1	ChEMBL_1929453 (CHEMBL4432629)	Inhibition of epitope-tagged separase (unknown origin) using Rad21-MCA as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by fluorescence assay
50010061	2	ChEMBL_1929455 (CHEMBL4432631)	Inhibition of human ZZ TEV4-tagged separase expressed in human 293T cells using (Rad21)2-Rh110 as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by fluorescence assay
50010062	1	ChEMBL_1929477 (CHEMBL4432653)	Activity at biotinylated APC-labeled human RORgamma LBD assessed as of Induction of biotinylated SRC1 peptide recruitment incubated for 1 hr by TR-FRET assay
50010062	2	ChEMBL_1929481 (CHEMBL4432657)	Activity at RORgamma in human PBMC assessed as induction of IL17A production after 4 days by ELISA
50010062	3	ChEMBL_1929480 (CHEMBL4432656)	Activity at biotinylated 6His-tagged human RORgamma LBD (259 to 518 residues) assessed as induction of biotinylated SRC1 peptide recruitment incubated for 2 hrs by TR-FRET assay
50010062	4	ChEMBL_1929478 (CHEMBL4432654)	Inverse agonist activity at GAL4-fused human RORgamma expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 18hrs by dual-glo luciferase reporter gene assay
50010062	5	ChEMBL_1929473 (CHEMBL4432649)	Displacement of [3H]T0901317 from N-6HN-MBP-Avi-TCS-tagged human RORgamma LBD (P260 to K518 residues) preincubated for 30 mins followed by ligand addition measured after 3 hrs by scintillation proximity assay
50010062	6	ChEMBL_1929479 (CHEMBL4432655)	Inverse agonist activity at RORgamma (unknown origin) expressed in human Jurkat cells assessed as inhibition of IL-17F production after 20 hrs by luciferase reporter gene assay
50010062	7	ChEMBL_1929471 (CHEMBL4432647)	Activity at 6His-tagged human RORgamma LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of biotinylated SRC1 co-activator peptide recruitment by alphascreen assay
50010062	8	ChEMBL_1929476 (CHEMBL4432652)	Activity at APC-labeled 6His-tagged human RORgamma LBD (263 to 518 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of biotinylated SRC1 peptide recruitment incubated for 1 hr by FRET assay
50010066	1	ChEMBL_1929482 (CHEMBL4432658)	Negative allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940 induced beta arrestin recruitment preincubated for 30 mins followed by addition of CP55940 for 90 mins by chemiluminescence assay
50010068	1	ChEMBL_1929497 (CHEMBL4432673)	Inhibition of Clostridium botulinum BoNT/E light chain using GFP-tagged VAMP2/SNAP-25 (Ala128 to Gly206 residues) as substrate after 15 mins by GFP based micro plate reader method
50010068	2	ChEMBL_1929501 (CHEMBL4432677)	Inhibition of protease activity of Clostridium botulinum BoNT/E using SNAP-25 as substrate after 15 mins by HPLC based assay
50010068	3	ChEMBL_1929498 (CHEMBL4432674)	Inhibition of protease activity of Clostridium botulinum BoNT/A using N(K)-acetyl)-SNKTRIDEANQRATKML-carboxamide as substrate
50010068	4	ChEMBL_1929500 (CHEMBL4432676)	Inhibition of protease activity of Clostridium botulinum BoNT/A using SNAP-25 as substrate by FRET analysis
50010068	5	ChEMBL_1929499 (CHEMBL4432675)	Inhibition of Clostridium botulinum BoNT/A light chain using SNAP-25 as substrate by LC/MS analysis
50010068	6	ChEMBL_1929502 (CHEMBL4432678)	Inhibition of Clostridium botulinum BoNT/A light chain
50010070	1	ChEMBL_1929534 (CHEMBL4432710)	Inhibition of C-terminal FLAG tagged human recombinant ATX expressed in insect sf9 cells using FS-3 as substrate measured every 2 mins for 60 mins by FRET assay
50010070	2	ChEMBL_1929537 (CHEMBL4432713)	Inhibition of C-terminal FLAG tagged human recombinant ATX expressed in insect sf9 cells using pNP-TMP as substrate measured every 2 mins for 60 mins by fluorescence analysis
50010070	3	ChEMBL_1929541 (CHEMBL4432717)	Inhibition of recombinant ATX (unknown origin) expressed in HEK293 cells using FS-3 as substrate after 15 mins
50010071	1	ChEMBL_1929553 (CHEMBL4432729)	Inhibition of soluble epoxide hydrolase (unknown origin)
50010072	1	ChEMBL_1929554 (CHEMBL4432730)	Inhibition of N-terminal His-tagged STEP catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate
50010072	2	ChEMBL_1929563 (CHEMBL4432739)	Time-dependent irreversible inhibition of N-terminal His-tagged STEP catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) cells preincubated with enzyme followed by p-nitrophenyl phosphate substrate addition
50010075	1	ChEMBL_1929589 (CHEMBL4432765)	Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay
50010075	2	ChEMBL_1929590 (CHEMBL4432766)	Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay
50010075	3	ChEMBL_1929596 (CHEMBL4432772)	Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay
50010075	4	ChEMBL_1929601 (CHEMBL4432777)	Inhibition of PI3Kdelta in human CCRF-SB cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis
50010075	5	ChEMBL_1929588 (CHEMBL4432764)	Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay
50010075	6	ChEMBL_1929591 (CHEMBL4432767)	Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay
50010075	7	ChEMBL_1929604 (CHEMBL4432780)	Inhibition of PI3Kdelta in human CCRF-SB cells assessed as reduction in S6 phosphorylation levels by Western blot analysis
50010075	8	ChEMBL_1929593 (CHEMBL4432769)	Inhibition of full length His-tagged human recombinant PI3Kbeta expressed in baculovirus by select screen kinase profiling assay
50010075	9	ChEMBL_1929599 (CHEMBL4432775)	Inhibition of PI3Kdelta in human SU-DHL-5 cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis
50010075	10	ChEMBL_1929600 (CHEMBL4432776)	Inhibition of PI3Kdelta in human KARPAS422 cells assessed as reduction in AktS473 phosphorylation levels by Western blot analysis
50010075	11	ChEMBL_1929603 (CHEMBL4432779)	Inhibition of PI3Kdelta in human KARPAS422 cells assessed as reduction in S6 phosphorylation levels by Western blot analysis
50010075	12	ChEMBL_1929595 (CHEMBL4432771)	Inhibition of full length His-tagged human recombinant PI3Kdelta expressed in baculovirus by select screen kinase profiling assay
50010075	13	ChEMBL_1929594 (CHEMBL4432770)	Inhibition of full length His-tagged human recombinant PI3Kgamma expressed in baculovirus by select screen kinase profiling assay
50010075	14	ChEMBL_1929602 (CHEMBL4432778)	Inhibition of PI3Kdelta in human SU-DHL-5 cells assessed as reduction in S6 phosphorylation levels by Western blot analysis
50010075	15	ChEMBL_1929592 (CHEMBL4432768)	Inhibition of full length His-tagged human recombinant PI3Kalpha expressed in baculovirus by select screen kinase profiling assay
50010077	1	ChEMBL_1929614 (CHEMBL4432790)	Inhibition of PARP-1 (unknown origin) after 1 hr in presence of NAD+/biotinylated NAD+/slDNA by ELISA
50010077	2	ChEMBL_1929615 (CHEMBL4432791)	Inhibition of PARP-2 (unknown origin) after 1 hr in presence of NAD+/biotinylated NAD+/slDNA by ELISA
50010078	1	ChEMBL_1929625 (CHEMBL4432801)	Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o cells incubated for 18 to 24 hrs by CSE-HRP assay
50010078	2	ChEMBL_1929624 (CHEMBL4432800)	Corrector activity at CFTR F508del mutant in human bronchial epithelial cells incubated for 18 to 24 hrs by TECC-based conductance assay
50010082	1	ChEMBL_1929627 (CHEMBL4432803)	Inhibition of human DOTL1 (2 to 416 residues)-mediated methylation of nucleosome preincubated for 30 mins followed by addition of S-[methyl-3H-] adenosyl-L-methionine and nucleosome measured after 180 mins by scintillation proximity assay
50010082	2	ChEMBL_1929626 (CHEMBL4432802)	Binding affinity to biotinylated Avi tagged human DoT1L (2 to 416 residues) by SPR analysis
50010084	1	ChEMBL_1929666 (CHEMBL4432842)	Inhibition of mTORC1 in HEK293T/17 cells assessed as reduction in S6RP phosphorylation at Ser-240/244 residue after 2 hrs by sandwich immunoassay
50010084	2	ChEMBL_1929669 (CHEMBL4432845)	Inhibition of mTOR in human whole blood assessed as reduction in alphaCD3/alphaCD28 and IL-2-induced IFNgamma secretion preincubated for 1 hr followed by alphaCD3/alphaCD28 and IL-2 stimulation measured after 18 hrs by sandwich immunoassay
50010084	3	ChEMBL_1929665 (CHEMBL4432841)	Binding affinity to mTOR in mixed human HeLa/Jurkat/K562 cell lysate by LC-MS based chemoproteomic assay
50010084	4	ChEMBL_1929690 (CHEMBL4432866)	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp assay
50010084	5	ChEMBL_1929668 (CHEMBL4432844)	Inhibition of mTORC2 in HEK293T/17 cells assessed as reduction in Akt phosphorylation at Ser-473 residue after 2 hrs by sandwich immunoassay
50010084	6	ChEMBL_1929664 (CHEMBL4432840)	Binding affinity to mTOR in mixed human HEK293/K562/placenta cell lysate by LC-MS based chemoproteomic assay
50010087	1	ChEMBL_1929728 (CHEMBL4432904)	Binding affinity to recombinant human HINT1 by isothermal titration calorimetric assay
50010087	2	ChEMBL_1929727 (CHEMBL4432903)	Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assay
50010087	3	ChEMBL_1929726 (CHEMBL4432902)	Inhibition of His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells using TrpAMP as substrate measured for 2 to 30 mins by fluorescence assay
50010088	1	ChEMBL_1929733 (CHEMBL4432909)	Antagonist activity at androgen receptor in human C4-2-PSA-rl cells incubated for 24 hrs in presence of androgen R1881 by dual-glo luciferase reporter gene assay
50010089	1	ChEMBL_1929751 (CHEMBL4432927)	Binding affinity to recombinant hexa-histidine-tagged human full-length N-GLY1 catalytic domain expressed in Escherichia coli BL21 (DE3) by thermal shift assay
50010090	1	ChEMBL_1929762 (CHEMBL4432938)	Activation of p75NTR in mouse hippocampal neurons assessed as increase in cell survival after 48 hrs by MTT assay
50010090	2	ChEMBL_1929752 (CHEMBL4432928)	Activation of p75NTR in C57BL/6 mouse brain assessed as suppression of carbachol-mediated persistant firing of entorhinal cortex after 15 mins by current-clamp technique
50010090	3	ChEMBL_1929753 (CHEMBL4432929)	Binding affinity to D2 receptor in rat brain striatal homogenates after 60 mins by liquid scintillation counting method
50010091	1	ChEMBL_1929793 (CHEMBL4432969)	Inhibition of recombinant human COX2 assessed as PGH2 formation preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 2 mins by ELISA
50010091	2	ChEMBL_1929792 (CHEMBL4432968)	Inhibition of ovine COX1 assessed as PGH2 formation preincubated for 10 mins followed by addition of arachidonic acid as substrate measured after 2 mins by ELISA
50010092	1	ChEMBL_1929796 (CHEMBL4432972)	Inhibition of recombinant full length C-terminal His-tagged HIV1 integrase expressed in Escherichia coli BL21(DE3) cells assessed as reduction in LEDGF/p75 independent 3' processing activity using 32P-labeled blunt ended 21-mer DNA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HTRF assay
50010092	2	ChEMBL_1929801 (CHEMBL4432977)	Inhibition of C-terminal FLAG-tagged LEDGF/p75 binding to recombinant full length N-terminal His-tagged HIV1 integrase expressed in Escherichia coli BL21(DE3) cells preincubated with enzyme for 30 mins followed by LEDGF/p75 addition by HTRF assay
50010092	3	ChEMBL_1929798 (CHEMBL4432974)	Inhibition of recombinant full length HIV1 C-terminal His-tagged integrase multimerization with N-terminal FLAG-tagged integrase expressed in Escherichia coli BL21(DE3) cells after 2.5 hrs by HTRF assay
50010092	4	ChEMBL_1929797 (CHEMBL4432973)	Inhibition of recombinant full length C-terminal His-tagged HIV1 integrase expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of recombinant C-terminal FLAG-tagged LEDGF/p75-induced integration of viral 32-mer blunt-ended U5 DNA into pBR322 DNA preincubated with enzyme for 30 mins followed by viral and target DNA addition and subsequent addition of LEDGF/p75 after 5 mins measured after 90 mins by HTRF assay
50010092	5	ChEMBL_1929799 (CHEMBL4432975)	Inhibition of recombinant full length C-terminal His-tagged HIV1 integrase A128T mutant expressed in Escherichia coli BL21(DE3) cells assessed as reduction in LEDGF/p75 independent 3' processing activity using 32P-labeled blunt ended 21-mer DNA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HTRF assay
50010092	6	ChEMBL_1929800 (CHEMBL4432976)	Inhibition of recombinant full length HIV1 C-terminal His-tagged integrase A128T mutant multimerization with N-terminal FLAG-tagged integrase A128T mutant expressed in Escherichia coli BL21(DE3) cells after 2.5 hrs by HTRF assay
50010093	1	ChEMBL_1929823 (CHEMBL4432999)	Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate by Lineweaver-Burk plot analysis
50010093	2	ChEMBL_1929825 (CHEMBL4433001)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of benzylamine as substrate
50010093	3	ChEMBL_1929824 (CHEMBL4433000)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of kynuramine as substrate
50010093	4	ChEMBL_1929828 (CHEMBL4433004)	Inhibition of bovine plasma MAO preincubated for 15 mins followed by addition of benzylamine hydrochloride as substrate measured after 30 mins
50010093	5	ChEMBL_1929827 (CHEMBL4433003)	Inhibition of rat brain mitochondrial MAO-A preincubated for 15 mins followed by addition of serotonin as substrate measured after 90 mins
50010093	6	ChEMBL_1929842 (CHEMBL4433018)	Competitive inhibition of recombinant human MAO-B expressed in baculovirus system using kynuramine as substrate after 40 mins by Lineweaver-Burk plot analysis
50010093	7	ChEMBL_1929832 (CHEMBL4433008)	Inhibition of mouse MAO-B preincubated for 15 mins followed by addition of kynuramine as substrate measured after 30 mins by fluorometric analysis
50010093	8	ChEMBL_1929829 (CHEMBL4433005)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells assessed as decrease in arbitrary light units preincubated for 40 mins followed by addition of luciferin derivative substrate measured after 2 hrs by MAO-Glow assay
50010093	9	ChEMBL_1929830 (CHEMBL4433006)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as decrease in arbitrary light units preincubated for 40 mins followed by addition of luciferin derivative substrate measured after 2 hrs by MAO-Glow assay
50010093	10	ChEMBL_1929843 (CHEMBL4433019)	Competitive inhibition of mouse brain mitochondrial MAO-B using kynuramine as substrate by Lineweaver-Burk plot analysis
50010093	11	ChEMBL_1929831 (CHEMBL4433007)	Inhibition of mouse MAO-A preincubated for 15 mins followed by addition of kynuramine as substrate measured after 30 mins by fluorometric analysis
50010094	1	ChEMBL_1929874 (CHEMBL4433050)	Inhibition of JAK1 (unknown origin)
50010094	2	ChEMBL_1929890 (CHEMBL4433066)	Inhibition of Aurora B in calyculin stimulated human HT29 cells assessed as reduction in phosphorylation of histone H3 at ser10
50010094	3	ChEMBL_1929868 (CHEMBL4433044)	Inhibition of N-terminal-6His-tagged full length human Aurora B expressed in baculovirus using 5FAM-PKA-tide as substrate after 120 mins by fluorescence polarization assay
50010094	4	ChEMBL_1929869 (CHEMBL4433045)	Inhibition of SYK in human B cells assessed as suppression of anti-IgM-induced CD69 surface expression preincubated for 30 mins followed by anti-IgM addition measured after 3.5 hrs by flow cytometric analysis
50010094	5	ChEMBL_1929867 (CHEMBL4433043)	Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by TR-FRET assay
50010094	6	ChEMBL_1929870 (CHEMBL4433046)	Inhibition of human ERG expressed in CHOK1 cell membranes after 2 hrs by cy3b-dofetilide-based fluorescence polarization assay
50010094	7	ChEMBL_1929871 (CHEMBL4433047)	Inhibition of Aurora A (unknown origin)
50010094	8	ChEMBL_1929872 (CHEMBL4433048)	Inhibition of LRRK2 (unknown origin)
50010094	9	ChEMBL_1929894 (CHEMBL4433070)	Inhibition of BTK (unknown origin)
50010094	10	ChEMBL_1929866 (CHEMBL4433042)	Inhibition of SYK in human Ramos cells assessed as suppression of anti-IgM induced Erk1/2 phosphorylation preincubated for 30 mins followed by anti-IgM addition measured after 7 mins by electrochemiluminescence analysis
50010094	11	ChEMBL_1929873 (CHEMBL4433049)	Inhibition of KDR (unknown origin)
50010094	12	ChEMBL_1929895 (CHEMBL4433071)	Inhibition of ZAP70 (unknown origin)
50010095	1	ChEMBL_1929902 (CHEMBL4433078)	Displacement of FITC-Smac from human recombinant His-tagged XIAP BIR3 domain (241 to 356 residues) expressed in Escherichia coli BL21(DE3) cells after 3 hrs by fluorescence polarization assay
50010096	1	ChEMBL_1929928 (CHEMBL4433104)	Inhibition of [3H]-5-dopamine reuptake in human DAT expressed in HEK293 cells by liquid scintillation counting method
50010096	2	ChEMBL_1929927 (CHEMBL4433103)	Inhibition of [3H]-5-hydroxytryptamine reuptake in human SERT expressed in HEK293 cells by liquid scintillation counting method
50010096	3	ChEMBL_1929929 (CHEMBL4433105)	Inhibition of [3H]-5-norepinephrine reuptake in human NET expressed in HEK293 cells by liquid scintillation counting method
50010097	1	ChEMBL_1929930 (CHEMBL4433106)	Displacement of [3H]-nociceptin/orphanin FQ from recombinant ORL1 receptor (unknown origin) expressed in CHO cell membranes measured after 1 hr by scintillation counter method
50010097	2	ChEMBL_1929931 (CHEMBL4433107)	Displacement of [3H]-naloxone human mu-opioid receptor expressed in CHO-K1 cell membranes measured after 90 mins by beta-counter method
50010098	1	ChEMBL_1929933 (CHEMBL4433109)	Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay
50010099	1	ChEMBL_1929959 (CHEMBL4433135)	Antagonist activity against human EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by ELISA
50010099	2	ChEMBL_1929961 (CHEMBL4433137)	Binding affinity to 6His-tagged EphA4 C204A mutant (29 to 104 residues) (unknown origin) expressed in Escherichia coli Origami 2 (DE3) by isothermal titration calorimetry
50010099	3	ChEMBL_1929962 (CHEMBL4433138)	Inhibition of 0.5 ug/ml ephrinA5-induced human EphA4 tyrosine phosphorylation expressed in HEK293AD cells preincubated for 20 mins followed by ephrinA5 stimulation for 20 mins by immunoblot analysis
50010099	4	ChEMBL_1929964 (CHEMBL4433140)	Antagonist activity against mouse EphA4 receptor assessed as inhibition of binding of alkaline phosphatase-fused ephrin-A5 to immobilized EphA4 Fc by ELISA
50010099	5	ChEMBL_1929978 (CHEMBL4433154)	Inhibition of 0.4 ug/ml ephrinA5-induced human EphA4 tyrosine phosphorylation expressed in HEK293AD cells preincubated for 20 mins followed by ephrinA5 stimulation for 20 mins by immunoblot analysis
50010100	1	ChEMBL_1929981 (CHEMBL4433157)	Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoylated arginine ethyl ester hydrochloride measured after 15 mins by colder assay
50010100	2	ChEMBL_1929984 (CHEMBL4433160)	Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity preincubated for 15 mins followed by addition of N-benzoylated arginine ethyl ester hydrochloride measured after 15 mins by colder assay
50010100	3	ChEMBL_1929983 (CHEMBL4433159)	Inhibition of recombinant human 6His-tagged PAD2 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoylated arginine ethyl ester hydrochloride measured after 15 mins by colder assay
50010100	4	ChEMBL_1929982 (CHEMBL4433158)	Inhibition of recombinant human 6His-tagged PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoylated arginine ethyl ester hydrochloride measured after 15 mins by colder assay
50010101	1	ChEMBL_1929987 (CHEMBL4433163)	Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysis
50010101	2	ChEMBL_1929986 (CHEMBL4433162)	Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosphatidylcholine as substrate after 1 hr by Amplex red fluorescence assay
50010101	3	ChEMBL_1929994 (CHEMBL4433170)	Inhibition of autotaxin in healthy human whole blood assessed as reduction in LPA level after 2 hrs by LC-MS/MS analysis
50010102	1	ChEMBL_1929996 (CHEMBL4433172)	Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 mins
50010102	2	ChEMBL_1929995 (CHEMBL4433171)	Inhibition of D5D in Sprague-Dawley rat liver microsomes using [14C]DGLA as substrate preincubated for 5 mins measured after 120 mins
50010102	3	ChEMBL_1929997 (CHEMBL4433173)	Inhibition of SCD in Sprague-Dawley rat liver microsomes using [14C]stearoyl-CoA as substrate preincubated for 5 mins measured after 30 mins
50010102	4	ChEMBL_1929998 (CHEMBL4433174)	Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs
50010102	5	ChEMBL_1929999 (CHEMBL4433175)	Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs
50010102	6	ChEMBL_1930000 (CHEMBL4433176)	Binding affinity to D5D in Sprague-Dawley rat liver microsomes after 150 mins by liquid scintillation counting
50010103	1	ChEMBL_1930033 (CHEMBL4433284)	Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells incubated for 60 mins by microbeta scintillation counter method
50010103	2	ChEMBL_1930027 (CHEMBL4433278)	Antagonist activity at human H3R expressed in HEK293 cells assessed as reduction in R)(-)-alpha methylhistamine-induced inhibition of forskolin-induced cAMP accumulation by TR-FRET based LANCE ultra cAMP immunoassay
50010103	3	ChEMBL_1930023 (CHEMBL4433274)	Displacement of [3H]Dofetilide from human ERG human
50010103	4	ChEMBL_1930026 (CHEMBL4433277)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method
50010103	5	ChEMBL_1930055 (CHEMBL4433306)	Inhibition of human recombinant CYP2D6 using luciferin as substrate preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of NADPH by CYP450-Glo assay
50010103	6	ChEMBL_1930034 (CHEMBL4433285)	Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method
50010103	7	ChEMBL_1930030 (CHEMBL4433281)	Displacement of [3H]histamine from human recombinant H4R expressed in CHO cells incubated for 60 mins by microbeta scintillation counter method
50010103	8	ChEMBL_1930024 (CHEMBL4433275)	Binding affinity to human H4R
50010103	9	ChEMBL_1930022 (CHEMBL4433273)	Binding affinity to human H3R
50010103	10	ChEMBL_1930021 (CHEMBL4433272)	Displacement of [3H]Dofetilide from human ERG human expressed in HEK293 cells incubated for 45 mins
50010103	11	ChEMBL_1930025 (CHEMBL4433276)	Binding affinity to human H3R expressed in rat C6 cells
50010103	12	ChEMBL_1930019 (CHEMBL4433270)	Antagonist activity at human H3R expressed in rat C6 cells incubated for 20 mins by [35S]GTPgammaS binding assay
50010103	13	ChEMBL_1930020 (CHEMBL4433271)	Antagonist activity at human H4R expressed in HEK293 cells incubated for 20 mins by [35S]GTPgammaS binding assay
50010105	1	ChEMBL_1930089 (CHEMBL4433340)	Inhibition of Nrf2 in mouse MYC-3T3-ARELUC cells harboring a stably integrated ARE by firefly luciferase reporter gene assay
50010106	1	ChEMBL_1930091 (CHEMBL4433342)	Binding affinity to human Cyclic GMP-AMP synthase (2 to 522 residues) expressed in Sf9 cells by surface plasmon resonance analysis
50010106	2	ChEMBL_1930090 (CHEMBL4433341)	Binding affinity to MCL1 (unknown origin) assessed as inhibition of Mcl1-FAMbid protein-protein interaction after 1 min by fluorescence polarization assay
50010110	1	ChEMBL_1930116 (CHEMBL4433367)	Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presence of NAD+ incubated for 70 secs
50010111	1	ChEMBL_1930125 (CHEMBL4433376)	Inhibition of trypsin-like activity of human 26S proteasome assessed as decrease in AMC hydrolysis using Ac-Arg-Leu-Arg-AMC as substrate incubated for 2 hrs by fluorescence based method
50010111	2	ChEMBL_1930123 (CHEMBL4433374)	Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method
50010111	3	ChEMBL_1930134 (CHEMBL4433385)	Inhibition of chymotrypsin-like activity of purified human erythrocyte 20S proteasome assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 10 mins and measured by fluorescence based method
50010111	4	ChEMBL_1930124 (CHEMBL4433375)	Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method
50010111	5	ChEMBL_1930128 (CHEMBL4433379)	Inhibition of chymotrypsin-like activity of rat liver 26 proteasome assessed as decrease in fluorescence using succinyl-Leu-Leu-Val-Tyr-4-methylcoumaryl-7-amide as substrate preincubated for 30 mins followed by addition of substrate and measured after 1 hr by fluorescence based method
50010111	6	ChEMBL_1930127 (CHEMBL4433378)	Inhibition of chymotrypsin-like activity of human 26S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method
50010111	7	ChEMBL_1930131 (CHEMBL4433382)	Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 30 mins by fluorometric analysis
50010111	8	ChEMBL_1930130 (CHEMBL4433381)	Inhibition of chymotrypsin-like activity of human 26S proteasome in human HCT-116 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis
50010111	9	ChEMBL_1930126 (CHEMBL4433377)	Inhibition of caspase-like activity of human 26S proteasome assessed as decrease in fluorescence using Z-Nle-Pro-Nle-Asp-aminoluciferin as substrate incubated for 2 hrs by fluorescence based method
50010111	10	ChEMBL_1930133 (CHEMBL4433384)	Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Arg-AMC as substrate preincubated for 12 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis
50010111	11	ChEMBL_1930137 (CHEMBL4433388)	Inhibition of chymotrypsin-like activity of human 26S proteasome extracted from human LNCap cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 60 mins by fluorescence based method
50010111	12	ChEMBL_1930132 (CHEMBL4433383)	Inhibition of chymotrypsin-like activity of human 26S proteasome extracted from human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Arg-AMC as substrate after 90 mins by fluorometric analysis
50010111	13	ChEMBL_1930129 (CHEMBL4433380)	Inhibition of chymotrypsin-like activity of human 26S proteasome in human SW480 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis
50010112	1	ChEMBL_1930147 (CHEMBL4433398)	Inhibition of human recombinant HO-1 by spectrometry based assay
50010112	2	ChEMBL_1930140 (CHEMBL4433391)	Inhibition of recombinant truncated HO-2 (Met1 to Ala288) in rat brain microsomes expressed in Escherichia coli by spectrometry based assay
50010112	3	ChEMBL_1930141 (CHEMBL4433392)	Inhibition of HO-1 in Sprague-Dawley rat spleen microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by GC analysis
50010112	4	ChEMBL_1930143 (CHEMBL4433394)	Inhibition of HO-1 in Sprague-Dawley rat spleen microsomes using NADPH as substrate incubated for 60 mins by spectrometry based assay
50010112	5	ChEMBL_1930138 (CHEMBL4433389)	Inhibition of HO-2 (unknown origin)
50010112	6	ChEMBL_1930139 (CHEMBL4433390)	Inhibition of recombinant truncated HO-1 (Met1 to Pro267) in rat spleen microsomes expressed in Escherichia coli by spectrometry based assay
50010112	7	ChEMBL_1930142 (CHEMBL4433393)	Inhibition of HO-2 in Sprague-Dawley rat brain microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by GC analysis
50010112	8	ChEMBL_1930144 (CHEMBL4433395)	Inhibition of HO-1 in rat spleen microsomes incubated for 15 mins
50010114	1	ChEMBL_1930150 (CHEMBL4433401)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine iodide as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 mins by Ellman's method
50010114	2	ChEMBL_1930151 (CHEMBL4433402)	Inhibition of human serum butyrylcholinesterase using BTCI as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 mins by Ellman's method
50010114	3	ChEMBL_1930154 (CHEMBL4433405)	Inhibition of human BACE1 using as 7-Methoxycoumarin-4-acetyl-[Asn670, Leu671]-Amyloid beta/A4 precursor protein 770 fragment 667-676-(2,4-dinitrophenyl) Lys-Arg-Arg amide trifluoroacetate salt as substrate incubated for 2 hrs by FRET based florescence assay
50010114	4	ChEMBL_1930153 (CHEMBL4433404)	Non-competitive inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 6 mins by Dixon plot analysis
50010116	1	ChEMBL_1930188 (CHEMBL4433439)	Inhibition of mouse brain AChE using acetylthiocholine iodide as substrate measured after 30 mins by Ellman's method
50010116	2	ChEMBL_1930187 (CHEMBL4433438)	Inhibition of human H3R expressed in methylhistamine-induced human H3-bla U2OS cells incubated for 30 mins by beta-lactamase complementation technology
50010116	3	ChEMBL_1930218 (CHEMBL4433469)	Inhibition of mouse plasma BuChE using S-butyrylacetylthiocholine iodide as substrate measured after 30 mins by Ellman's method relative to control
50010117	1	ChEMBL_1930249 (CHEMBL4433500)	Inhibition of MEK1 (unknown origin)
50010117	2	ChEMBL_1930230 (CHEMBL4433481)	Inhibition of human MER incubated for 90 mins by ELISA method
50010117	3	ChEMBL_1930226 (CHEMBL4433477)	Inhibition of human VEGFR2 in human A549 cells incubated for over night by ELISA method
50010117	4	ChEMBL_1930224 (CHEMBL4433475)	Inhibition of VEGFR2 (unknown origin)
50010117	5	ChEMBL_1930227 (CHEMBL4433478)	Inhibition of human HER2 in human A549 cells by ELISA method
50010117	6	ChEMBL_1930229 (CHEMBL4433480)	Inhibition of recombinant human N-terminal GST-tagged EGFR (695 to end) expressed in baculovirus infected Sf9 cells using ATP as substrate after 40 mins by Kinase-Glo MAX luminescence assay
50010117	7	ChEMBL_1930228 (CHEMBL4433479)	Inhibition of human c-MET incubated for 2 hrs by ELISA method
50010117	8	ChEMBL_1930250 (CHEMBL4433501)	Inhibition of MEK2 (unknown origin)
50010119	1	ChEMBL_1930260 (CHEMBL4433511)	Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation counting method
50010119	2	ChEMBL_1930257 (CHEMBL4433508)	Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr
50010119	3	ChEMBL_1930261 (CHEMBL4433512)	Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation counting method
50010119	4	ChEMBL_1930259 (CHEMBL4433510)	Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes measured after 1 hr by liquid scintillation counting method
50010119	5	ChEMBL_1930255 (CHEMBL4433506)	Agonist activity at rat delta opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr
50010119	6	ChEMBL_1930253 (CHEMBL4433504)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr
50010120	1	ChEMBL_1930270 (CHEMBL4433521)	Inhibition of human SIRT1 deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 mins by UV-HPLC analysis
50010120	2	ChEMBL_1930271 (CHEMBL4433522)	Inhibition of human SIRT3 assessed as reduction in deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by UV-HPLC analysis
50010120	3	ChEMBL_1930269 (CHEMBL4433520)	Inhibition of recombinant human N-terminal His6-tagged/SUMO-fused SIRT2 (38 to 356 residues) expressed in Escherichia coli BL21 assessed as reduction in deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measured after 6 mins by UV-HPLC analysis
50010121	1	ChEMBL_1930301 (CHEMBL4433552)	Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase reporter gene assay
50010122	1	ChEMBL_1930329 (CHEMBL4433580)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010122	2	ChEMBL_1930330 (CHEMBL4433581)	Inhibition of recombinant human carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010122	3	ChEMBL_1930331 (CHEMBL4433582)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010122	4	ChEMBL_1930328 (CHEMBL4433579)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010122	5	ChEMBL_1930332 (CHEMBL4433583)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010123	1	ChEMBL_1930355 (CHEMBL4433606)	Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation counting method
50010123	2	ChEMBL_1930359 (CHEMBL4433610)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50010123	3	ChEMBL_1930354 (CHEMBL4433605)	Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation counting method
50010123	4	ChEMBL_1930356 (CHEMBL4433607)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50010123	5	ChEMBL_1930360 (CHEMBL4433611)	Antagonist activity at human delta opioid receptor expressed in CHO cell membranes assessed as reduction in SNC80-induced [35S]GTPgammaS binding incubated for 1 hr
50010123	6	ChEMBL_1930353 (CHEMBL4433604)	Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation counting method
50010123	7	ChEMBL_1930358 (CHEMBL4433609)	Agonist activity at human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50010123	8	ChEMBL_1930363 (CHEMBL4433614)	Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as reduction in SNC80-induced inhibition of forskolin stimulated cAMP accumulation preincubated for 15 mins followed SNC80 and forskolin addition and measured after 10 mins relative to control
50010124	1	ChEMBL_1930405 (CHEMBL4433656)	Inhibition of human recombinant his tagged HDAC6 expressed in baculovirus infected Sf6 insect cells using batcp as substrate incubated for 1 hr by fluorescence based assay
50010124	2	ChEMBL_1930401 (CHEMBL4433652)	Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay
50010124	3	ChEMBL_1930403 (CHEMBL4433654)	Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus infected Sf6 insect cells using tertbutyloxycarbonyl (Boc)-(Ac)-Lys-7-amino-4-methylcoumarin as substrate incubated for 1 hr by fluorescence based assay
50010125	1	ChEMBL_1930438 (CHEMBL4433689)	Inhibition of recombinant human His-tagged StAR-related lipid transfer protein 3 START domain expressed in Escherichia coli BL21(DE3) cells assessed as reduction of protein interaction with cholesterol using 3-hexanoyl-NBD Cholesterol as substrate incubated for 5 mins by competition binding fluorescent assay
50010126	1	ChEMBL_1930455 (CHEMBL4433706)	Antagonist activity at human P2X2R transfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx
50010126	2	ChEMBL_1930451 (CHEMBL4433702)	Antagonist activity at human P2X1R transfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx
50010126	3	ChEMBL_1930457 (CHEMBL4433708)	Antagonist activity at human P2X3R transfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx
50010126	4	ChEMBL_1930459 (CHEMBL4433710)	Antagonist activity at human P2X4R transfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx
50010126	5	ChEMBL_1930461 (CHEMBL4433712)	Antagonist activity at human P2X7R transfected in human 1321N1 cells assessed as inhibition of Bz-ATP-induced calcium influx
50010126	6	ChEMBL_1930452 (CHEMBL4433703)	Antagonist activity at P2X3R in mouse TG sensory neurons assessed as inhibition of P2X3R agonist alpha,beta-meATP-induced current at -65 mV holding potential by whole cell voltage clamp method
50010127	1	ChEMBL_1930473 (CHEMBL4433724)	Antagonist activity at human FXR transfected in HepG2 cells assessed as inhibition of CDCA-induced receptor transactivation by luciferase reporter assay
50010128	1	ChEMBL_1930510 (CHEMBL4433761)	Inhibition of recombinant human microsomal CYP3A4 expressed in baculovirus infected BTI-TN-5B1-4 cell microsomes using CYP/Luciferin as substrate pre-incubated for 30 mins followed by NADPH regeneration mixture addition and measured after 30 mins by Promega P450-Glo assay
50010128	2	ChEMBL_1930503 (CHEMBL4433754)	Inhibition of human ERG after 2 hrs by fluorescence polarization assay
50010128	3	ChEMBL_1930506 (CHEMBL4433757)	Inhibition of recombinant human microsomal CYP1A2 expressed in baculovirus infected BTI-TN-5B1-4 cell microsomes using CYP/Luciferin as substrate pre-incubated for 30 mins followed by NADPH regeneration mixture addition and measured after 30 mins by Promega P450-Glo assay
50010128	4	ChEMBL_1930508 (CHEMBL4433759)	Inhibition of recombinant human microsomal CYP2C9 expressed in baculovirus infected BTI-TN-5B1-4 cell microsomes using CYP/Luciferin as substrate pre-incubated for 30 mins followed by NADPH regeneration mixture addition and measured after 30 mins by Promega P450-Glo assay
50010128	5	ChEMBL_1930509 (CHEMBL4433760)	Inhibition of recombinant human microsomal CYP2C19 expressed in baculovirus infected BTI-TN-5B1-4 cell microsomes using CYP/Luciferin as substrate pre-incubated for 30 mins followed by NADPH regeneration mixture addition and measured after 30 mins by Promega P450-Glo assay
50010128	6	ChEMBL_1930507 (CHEMBL4433758)	Inhibition of recombinant human microsomal CYP2D6 expressed in baculovirus infected BTI-TN-5B1-4 cell microsomes using CYP/Luciferin as substrate pre-incubated for 30 mins followed by NADPH regeneration mixture addition and measured after 30 mins by Promega P450-Glo assay
50010130	1	ChEMBL_1930528 (CHEMBL4433779)	Displacement of fluorescent probe from human recombinant His/GST-tagged PARP3 by fluorescent polarization assay
50010130	2	ChEMBL_1930531 (CHEMBL4433782)	Inhibition of PARP1 in human HeLa cells assessed as reduction in H2O2-induced PAR formation incubated for 30 mins followed by H2O2 addition for 15 mins by immunocytochemistry analysis
50010130	3	ChEMBL_1930530 (CHEMBL4433781)	Binding affinity to human recombinant His/GST-tagged PARP1 catalytic domain (655-end residues) by surface plasma resonance method
50010130	4	ChEMBL_1930529 (CHEMBL4433780)	Displacement of fluorescent probe from human recombinant His-tagged TNKS1 catalytic domain (1091-1325 residues) by fluorescent polarization assay
50010130	5	ChEMBL_1930526 (CHEMBL4433777)	Displacement of fluorescent probe from human recombinant full length His-tagged PARP1 by fluorescent polarization assay
50010130	6	ChEMBL_1930557 (CHEMBL4433808)	Inhibition of CYP2D6 (unknown origin)
50010130	7	ChEMBL_1930558 (CHEMBL4433809)	Inhibition of CYP2B6 (unknown origin)
50010130	8	ChEMBL_1930527 (CHEMBL4433778)	Displacement of fluorescent probe from human recombinant full length His-tagged PARP2 by fluorescent polarization assay
50010131	1	ChEMBL_1930560 (CHEMBL4433811)	Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase reporter gene assay
50010131	2	ChEMBL_1930562 (CHEMBL4433813)	Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase reporter gene assay
50010131	3	ChEMBL_1930561 (CHEMBL4433812)	Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase reporter gene assay
50010132	1	ChEMBL_1930591 (CHEMBL4433842)	Inhibition of mouse HCN1 expressed in HEK293 cells assessed as reduction in hyperpolarization activated current at holding potential of -80 mV by patch clamp assay
50010132	2	ChEMBL_1930589 (CHEMBL4433840)	Inhibition of human HCN4 expressed in HEK293 cells assessed as reduction in hyperpolarization activated current at holding potential of -80 mV by patch clamp assay
50010132	3	ChEMBL_1930615 (CHEMBL4433866)	Inhibition of HCN4 in C57BL/6J mouse thalamocortical relay neuron assessed as reduction in hyperpolarization current at holding potential of -120 mV by whole-cell patch clamp assay
50010132	4	ChEMBL_1930590 (CHEMBL4433841)	Inhibition of mouse HCN2 expressed in HEK293 cells assessed as reduction in hyperpolarization activated current at holding potential of -80 mV by patch clamp assay
50010134	1	ChEMBL_1930622 (CHEMBL4433873)	Inhibition of UTX (unknown origin) using histone H3 peptide as substrate incubated for 30 mins followed by substrate addition by AlphaScreen assay
50010134	2	ChEMBL_1930621 (CHEMBL4433872)	Inhibition of recombinant human JMJD3 expressed in baculovirus infected Sf9 cells using biotinylated histone H3 peptide as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaScreen assay
50010135	1	ChEMBL_1930639 (CHEMBL4433890)	Inhibition of human recombinant HDAC1 using ZMAL (Z-(Ac)Lys-AMC fluorogenic substrate incubated for 90 mins by fluorescence method
50010135	2	ChEMBL_1930640 (CHEMBL4433891)	Inhibition of human recombinant HDAC6 using ZMAL (Z-(Ac)Lys-AMC fluorogenic substrate incubated for 90 mins by fluorescence method
50010137	1	ChEMBL_1930712 (CHEMBL4433963)	Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor assay
50010137	2	ChEMBL_1930716 (CHEMBL4433967)	Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based competition radioligand binding assay
50010137	3	ChEMBL_1930714 (CHEMBL4433965)	Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 recruitment assay
50010137	4	ChEMBL_1930718 (CHEMBL4433969)	Agonist activity at D2R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor assay
50010137	5	ChEMBL_1930720 (CHEMBL4433971)	Agonist activity at D4R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gi-cAMP Glosensor assay
50010137	6	ChEMBL_1930722 (CHEMBL4433973)	Agonist activity at D5R (unknown origin) expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor assay
50010138	1	ChEMBL_1930725 (CHEMBL4433976)	Positive allosteric modulator activity at human T1R2/T1R3 expressed in PEAKrapid cells assessed as potentiation of sucrose-induced intracellular calcium influx by measuring sucrose EC50 at 30 uM measured for 120 secs by fluorescence based assay (Rvb = 31.7 mM)
50010138	2	ChEMBL_1930726 (CHEMBL4433977)	Positive allosteric modulator activity at human T1R2/T1R3 expressed in PEAKrapid cells assessed as potentiation of sucrose-induced intracellular calcium influx by measuring sucrose EC50 at 50 uM measured for 120 secs by fluorescence based assay (Rvb = 31.7 mM)
50010139	1	ChEMBL_1930747 (CHEMBL4433998)	Agonist activity at TLR2 in wild type mouse BMDM cells assessed as induction of NFkappaB pathway activation by measuring increase in TNF-alpha mRNA expression by qRT-PCR analysis
50010140	1	ChEMBL_1930830 (CHEMBL4434081)	Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA
50010141	1	ChEMBL_1930837 (CHEMBL4434088)	Inhibition of human full length TNIK(1-1360)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated for 30 mins followed by substrate addition and measured after 120 mins by ADP-Glo Reagent based method
50010141	2	ChEMBL_1930836 (CHEMBL4434087)	Inhibition of human 6His-TEV-SHM-MAP4K4(2 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 75 to 90 mins by ADP-Glo Reagent based method
50010141	3	ChEMBL_1930831 (CHEMBL4434082)	Inhibition of human full length TNIK in HEK293 cells co-transfected with full length SMAD1 incubated for 2 hrs by ELISA
50010141	4	ChEMBL_1930838 (CHEMBL4434089)	Inhibition of human full length MAP4K4(1-1239)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated for 30 mins followed by substrate addition and measured after 120 mins by ADP-Glo Reagent based method
50010141	5	ChEMBL_1930834 (CHEMBL4434085)	Inhibition of human 6His-TEV-Avi-MINK1(1 to 328)-GNS expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 75 to 90 mins by ADP-Glo Reagent based method
50010141	6	ChEMBL_1930835 (CHEMBL4434086)	Inhibition of human 6His-TEV-TNIK(1 to 325) expressed in baculovirus-infected sf21 cells using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 75 to 90 mins by ADP-Glo Reagent based method
50010141	7	ChEMBL_1930839 (CHEMBL4434090)	Inhibition of human full length MINK1(1-1332)-G5-Avi-6His-Flag expressed in baculovirus-infected sf21 cells using His6-SMAD1 as substrate preincubated for 30 mins followed by substrate addition and measured after 120 mins by ADP-Glo Reagent based method
50010142	1	ChEMBL_1930885 (CHEMBL4434136)	Agonist activity at human RXRalpha expressed in African green monkey COS1 cells harboring CRBP2-tk-luc reporter incubated for 18 hrs by steady-glo luciferase reporter gene assay
50010143	1	ChEMBL_1930890 (CHEMBL4434141)	Inhibition of Staphylococcus aureus PDF by absorbance detection assay
50010143	2	ChEMBL_1930891 (CHEMBL4434142)	Inhibition of Staphylococcus aureus PDF by fluorescence detection assay
50010143	3	ChEMBL_1930889 (CHEMBL4434140)	Inhibition of Escherichia coli PDF
50010144	1	ChEMBL_1930925 (CHEMBL4434176)	Inhibition of recombinant GST-tagged human full length CDK14/cyclin Y (2 to end residues) preincubated for 30 mins by Lantha screen eu binding assay
50010144	2	ChEMBL_1930927 (CHEMBL4434178)	Inhibition of FLAG-tagged CDK14 (unknown origin) expressed in human HEK293 cells assessed as blocking of CDK14 pulldown incubated for 4 hrs by biotinylated JNK-IN- based pull down assay
50010144	3	ChEMBL_1930933 (CHEMBL4434184)	Inhibition of recombinant NanoLuc-tagged CDK2/cyclin Y expressed in human HCT116 cells at 1 uM incubated for 20 to 24 hrs by by NanoBRET assay
50010144	4	ChEMBL_1930934 (CHEMBL4434185)	Inhibition of recombinant NanoLuc-tagged CDK14/cyclin Y expressed in human HCT116 cells at 1 uM incubated for 20 to 24 hrs by by NanoBRET assay
50010145	1	ChEMBL_1930986 (CHEMBL4434237)	Inhibition of human recombinant HDAC 2 by HDAC-Glo luminescent assay
50010145	2	ChEMBL_1930974 (CHEMBL4434225)	Inhibition of human recombinant HDAC 1 by HDAC-Glo luminescent assay
50010145	3	ChEMBL_1930987 (CHEMBL4434238)	Inhibition of human recombinant HDAC 8 by HDAC-Glo luminescent assay
50010145	4	ChEMBL_1930988 (CHEMBL4434239)	Inhibition of human recombinant HDAC 6 by HDAC-Glo luminescent assay
50010146	1	ChEMBL_1930990 (CHEMBL4434241)	Inhibition of PTP1B (unknown origin) assessed as reduction in nitrophenol production using pNPP as substrate incubated for 30 mins by EnVisionMultilable plate reader based method
50010146	2	ChEMBL_1930991 (CHEMBL4434242)	Inhibition of TCPTP (unknown origin) assessed as reduction in nitrophenol production using pNPP as substrate incubated for 30 mins by EnVisionMultilable plate reader based method
50010146	3	ChEMBL_1931000 (CHEMBL4434251)	Inhibition of TCPTP (unknown origin)
50010146	4	ChEMBL_1930999 (CHEMBL4434250)	Inhibition of PTP1B (unknown origin)
50010146	5	ChEMBL_1930989 (CHEMBL4434240)	Inhibition of human FLAG-tagged PTP1B catalytic domain (1 to 298) expressed in Escherichia coli using fluorescein diphosphate as substrate by fluorescence based method
50010146	6	ChEMBL_1931001 (CHEMBL4434252)	Inhibition of human FLAG-tagged TCPTP (1 to 296) expressed in Escherichia coli using fluorescein diphosphate as substrate by fluorescence based method
50010146	7	ChEMBL_1931004 (CHEMBL4434255)	Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric method
50010146	8	ChEMBL_1931005 (CHEMBL4434256)	Inhibition of TCPTP (unknown origin) using pNPP as substrate by colorimetric method
50010146	9	ChEMBL_1931002 (CHEMBL4434253)	Inhibition of human GST-tagged PTP1B using pNPP as substrate and measured up to 2 mins
50010147	1	ChEMBL_1931006 (CHEMBL4434257)	Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH substrate and ATP
50010148	1	ChEMBL_1931007 (CHEMBL4434258)	Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay
50010149	1	ChEMBL_1931008 (CHEMBL4434259)	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant pre-incubated for 15 mins before fluorescein-labeled peptide substrate LRRKtide addition and measured after 90 mins by LRRK2 Km ATP LanthaScreen assay
50010151	1	ChEMBL_1931011 (CHEMBL4434262)	Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incubated for 30 mins by NAD-dependent dehydrogenase assay
50010151	2	ChEMBL_1931012 (CHEMBL4434263)	Inhibition of recombinant MTHFD1 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NADP and formaldehyde incubated for 30 mins by NADP-dependent dehydrogenase assay
50010151	3	ChEMBL_1931010 (CHEMBL4434261)	Inhibition of His-tagged human MTHFD1 ( 1 to 306 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and NADP+ addition measured after 15 mins by NAD(P)H-Glo detection reagent based luminescence assay
50010151	4	ChEMBL_1931009 (CHEMBL4434260)	Inhibition of His-tagged human MTHFD2 ( 36 to 350 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and NAD+ addition measured after 15 mins by NAD(P)H-Glo detection reagent based luminescence assay
50010152	1	ChEMBL_1931013 (CHEMBL4434264)	Inhibition of human GlyT2 expressed in porcine aorta epithelial cells assessed as reduction in [3H]-Glycine uptake at pH 7.5 by scintillation spectroscopy
50010152	2	ChEMBL_1931014 (CHEMBL4434265)	Inhibition of human GlyT1 expressed in porcine aorta epithelial cells assessed as reduction in [3H]-Glycine uptake incubated for 10 mins at pH 7.4 by scintillation spectroscopy
50010154	1	ChEMBL_1931016 (CHEMBL4434267)	Agonist activity at human Kv7.2/Kv7.3 expressed in CHO cells at holding potential of at -85 mV by whole cell patch clamp electrophysiology assay
50010156	1	ChEMBL_1931025 (CHEMBL4434276)	Inhibition of human PCSK9 in HepG2 cells incubated for 48 hrs by AlphaLISA assay
50010156	2	ChEMBL_1931024 (CHEMBL4434275)	Inhibition of human PCSK9 in HepG2 cells incubated for 24 hrs followed by medium replenishment and measured after 24 hrs by ELISA
50010157	1	ChEMBL_1931029 (CHEMBL4434280)	Binding affinity to capsid protein in Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of HBV DNA replication incubated for 3 days followed by replacement of fresh medium containing compound and measured after 3 days by chemiluminescent assay
50010161	1	ChEMBL_1931082 (CHEMBL4434333)	Inhibition of human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) interaction with N-biotinylated YAP (60 to 100 residues) incubated for 2 hrs by by TR-FRET assay
50010161	2	ChEMBL_1931084 (CHEMBL4434335)	Binding affinity to Avi-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay
50010162	1	ChEMBL_1931086 (CHEMBL4434337)	Agonist activity at PPARgamma (unknown origin) assessed as receptor transactivation after 24 hrs by TK-PPRE-Luc expressing cells based luciferase reporter gene assay
50010163	1	ChEMBL_1931151 (CHEMBL4434402)	Inhibition of CYP11B2 (unknown origin)
50010163	2	ChEMBL_1931140 (CHEMBL4434391)	Inhibition of CYP3A4 (unknown origin)
50010163	3	ChEMBL_1931148 (CHEMBL4434399)	Inhibition of human CYP11B2 expressed in hamster fibroblasts using deoxycorticosterone as substrate
50010163	4	ChEMBL_1931149 (CHEMBL4434400)	Inhibition of human CYP11B1 expressed in hamster fibroblasts using deoxycorticosterone as substrate
50010163	5	ChEMBL_1931152 (CHEMBL4434403)	Inhibition of CYP11B1 (unknown origin)
50010163	6	ChEMBL_1931141 (CHEMBL4434392)	Inhibition of CYP1B1 (unknown origin)
50010163	7	ChEMBL_1931142 (CHEMBL4434393)	Inhibition of CYP1A1 (unknown origin)
50010163	8	ChEMBL_1931143 (CHEMBL4434394)	Inhibition of CYP1A2 (unknown origin)
50010164	1	ChEMBL_1931155 (CHEMBL4434406)	Binding affinity to TYK2 pseudokinase domain (unknown origin)
50010164	2	ChEMBL_1931156 (CHEMBL4434407)	Inhibition of TYK2 in human whole blood assessed as reduction in IFN-alpha stimulated TYK2 phosphorylation
50010164	3	ChEMBL_1931158 (CHEMBL4434409)	Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
50010164	4	ChEMBL_1931161 (CHEMBL4434412)	Antagonist activity at integrin alpha4beta7 expressed in human RPMI8866 cells assessed as reduction in cell adhesion to rat MadCAM incubated for 40 to 60 mins by lactate dehydrogenase assay
50010164	5	ChEMBL_1931162 (CHEMBL4434413)	Antagonist activity at integrin alpha4beta1 expressed in human Jurkat cells assessed as reduction in cell adhesion to human VCAM-1 incubated for 40 to 60 mins by lactate dehydrogenase assay
50010164	6	ChEMBL_1931157 (CHEMBL4434408)	Inhibition of human recombinant GST tagged JAK3 kinase domain (781 to 1124 amino acids) expressed in insect cells in presence of ATP
50010164	7	ChEMBL_1931159 (CHEMBL4434410)	Agonist activity at S1P5 (unknown origin) assessed as stimulation of [35S]GTPgammaS binding incubated for 120 mins in presence of GDP by TopCount scintillation counting method
50010165	1	ChEMBL_1931186 (CHEMBL4434437)	Inhibition of NRF2 in human MDA-MB-231 cells harboring ARE-GFP-Luc assessed as reduction in ARE-luciferase activity after 16 hrs by firefly luciferase reporter gene assay
50010166	1	ChEMBL_1931268 (CHEMBL4434519)	Inhibition of Mycobacterium tuberculosis H37Rv EthR
50010168	1	ChEMBL_1931280 (CHEMBL4434531)	Binding affinity to human full length Myc-tagged PLCgamma1 transfected in HEK293T cells by pull down assay
50010169	1	ChEMBL_1931288 (CHEMBL4434539)	Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli using ATF2 as substrate incubated for 60 mins in presence of [33P]-ATP by scintillation counting method
50010169	2	ChEMBL_1931289 (CHEMBL4434540)	Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells using casein as substrate incubated for 60 mins in presence of [33P]-ATP by scintillation counting method
50010169	3	ChEMBL_1931287 (CHEMBL4434538)	Inhibition of ALK5 (unknown origin)
50010169	4	ChEMBL_1931286 (CHEMBL4434537)	Inhibition of GST-tagged ALK5 kinase domain (unknown origin) using GST-tagged SMAD3 as substrate in presence of [33P] gammaATP by liquid scintillation counter method
50010170	1	ChEMBL_1931297 (CHEMBL4434548)	Inhibition of recombinant human PTP4A3 expressed in Escherichia coli BL21 (DE3) assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 5 mins in presence of DTT
50010170	2	ChEMBL_1931301 (CHEMBL4434552)	Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method
50010170	3	ChEMBL_1931294 (CHEMBL4434545)	Inhibition of PTP4A1 (unknown origin)
50010170	4	ChEMBL_1931299 (CHEMBL4434550)	Inhibition of recombinant human His-6-tagged PTP4A2 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 as substrate by IMAP-FP assay
50010170	5	ChEMBL_1931303 (CHEMBL4434554)	Inhibition of PTP4A1 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method
50010170	6	ChEMBL_1931304 (CHEMBL4434555)	Inhibition of human PTP1B assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method
50010170	7	ChEMBL_1931298 (CHEMBL4434549)	Inhibition of recombinant human His-6-tagged PTP4A1 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 as substrate by IMAP-FP assay
50010170	8	ChEMBL_1931302 (CHEMBL4434553)	Inhibition of PTP4A2 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence based method
50010170	9	ChEMBL_1931296 (CHEMBL4434547)	Inhibition of PTP4A3 (unknown origin)
50010170	10	ChEMBL_1931295 (CHEMBL4434546)	Inhibition of PTP4A2 (unknown origin)
50010170	11	ChEMBL_1931300 (CHEMBL4434551)	Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 as substrate by IMAP-FP assay
50010171	1	ChEMBL_1931315 (CHEMBL4434566)	Binding affinity to His-tagged human LDHA in presence of NAD+ by isothermal titration calorimetry
50010171	2	ChEMBL_1931314 (CHEMBL4434565)	Inhibition of His-tagged human LDHA incubated for 10 mins using NADH and pyruvate by microplate reader based assay
50010171	3	ChEMBL_1931316 (CHEMBL4434567)	Binding affinity to His-tagged human LDHA in absence of NAD+ by isothermal titration calorimetry
50010172	1	ChEMBL_1931331 (CHEMBL4434582)	Binding affinity to FC-tagged human PDL1 by SPR assay
50010172	2	ChEMBL_1931332 (CHEMBL4434583)	Inhibition of human PDL1 expressed in CHO-K1 cells co-expressing aAPC assessed as reduction in PDL1 interaction with human PD1 expressed in Jurkat T cells incubated for 18 hrs by Bio-Glo reagent based luminescence assay
50010172	3	ChEMBL_1931330 (CHEMBL4434581)	Inhibition of Ig-tagged human PD1/His-tagged human PDL1 interaction incubated for 30 mins by HTRF assay
50010175	1	ChEMBL_1931354 (CHEMBL4434605)	Inhibition of CYP3A4 in human liver microsomes using midazolam pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS analysis
50010175	2	ChEMBL_1931350 (CHEMBL4434601)	Inhibition of CYP1A2 in human liver microsomes using phenacetin pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS analysis
50010175	3	ChEMBL_1931352 (CHEMBL4434603)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS analysis
50010175	4	ChEMBL_1931353 (CHEMBL4434604)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS analysis
50010175	5	ChEMBL_1931351 (CHEMBL4434602)	Inhibition of CYP2C9 in human liver microsomes using diclofenac pre-incubated for 10 mins before NADPH addition and measured after 10 mins by LC/MS/MS analysis
50010176	1	ChEMBL_1931637 (CHEMBL4477289)	Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintillation counting method
50010177	1	ChEMBL_1931690 (CHEMBL4477342)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every 13 secs by Ellman's method
50010178	1	ChEMBL_1931748 (CHEMBL4477400)	Inhibition of human microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol using [3H]cortisone by scintillation proximity assay in presence of NADPH
50010178	2	ChEMBL_1931745 (CHEMBL4477397)	Inhibition of mouse microsomal 11beta-HSD1 overexpressed in HEK293 cells using [3H]-cortisone as substrate assessed as formation of [3H]-cortisol using [3H]cortisone by scintillation proximity assay in presence of NADPH
50010181	1	ChEMBL_1931785 (CHEMBL4477437)	Inhibition of recombinant human PTP1B preincubated for 10 mins followed by protein addition using pNPP substrate
50010181	2	ChEMBL_1931786 (CHEMBL4477438)	Inhibition of GST-tagged human PTP1B expressed in Escherichia coli using pNPP substrate assessed as reduction in p-nitrophenol release
50010184	1	ChEMBL_1931814 (CHEMBL4477466)	Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay
50010184	2	ChEMBL_1931813 (CHEMBL4477465)	Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mins followed by substrate addition measured every 30 mins for 2 hrs by fluorescence assay
50010185	1	ChEMBL_1931939 (CHEMBL4477591)	Activation of XBP1 in rat IEC-6 cells assessed as transcriptional activity measured after 48 hrs by dual luciferase reporter gene assay
50010186	1	ChEMBL_1932232 (CHEMBL4477884)	Antagonist activity at rat androgen receptor fused with DNA-binding domain of GAL4 expressed in AR-UAS-bla GripTite 293 cells assessed as inhibition of R1881-induced receptor activation preincubated for 30 mins followed by R1881 addition measured after 16 to 24 hrs by betalactamase reporter gene assay
50010187	1	ChEMBL_1932261 (CHEMBL4477913)	Inhibition of tubulin assembly in bovine brain homogenate assessed as reduction in turbidity increase preincubated for 15 mins followed by GTP addition measured for 20 mins by spectrophotometric analysis
50010189	1	ChEMBL_1932329 (CHEMBL4477981)	Inhibition of SPT1 in human MCF7 cells assessed as suppression of 14C-serine incorporation into ceramide incubated for 2 hrs in presence of 4-HPR
50010189	2	ChEMBL_1932328 (CHEMBL4477980)	Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis
50010191	1	ChEMBL_1932393 (CHEMBL4478045)	Agonist activity at human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as induction of calcium mobilization by aequorin luminescence assay
50010191	2	ChEMBL_1932395 (CHEMBL4478047)	Agonist activity at human NPY Y4 receptor expressed in HEK293 cells co-expressing CRE-Luc gene assessed as inhibition of forskolin stimulated luciferase activity after 4.5 hrs by luminescence assay
50010191	3	ChEMBL_1932402 (CHEMBL4478054)	Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting
50010191	4	ChEMBL_1932403 (CHEMBL4478055)	Displacement of [3H]propionyl-pNPY from human NPY Y5 receptor expressed in human HEC1b cells after 120 mins by liquid scintillation counting
50010191	5	ChEMBL_1932397 (CHEMBL4478049)	Displacement of [3H]UR-MK136 from human NPY Y1 receptor expressed in human MCF7 cells by liquid scintillation counting
50010191	6	ChEMBL_1932398 (CHEMBL4478050)	Displacement of [3H]propionyl-pNPY from human NPY Y2 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins by liquid scintillation counting
50010191	7	ChEMBL_1932399 (CHEMBL4478051)	Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HEPES buffer by liquid scintillation counting
50010191	8	ChEMBL_1932400 (CHEMBL4478052)	Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of L-15 medium by liquid scintillation counting
50010191	9	ChEMBL_1932405 (CHEMBL4478057)	Binding affinity to human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of L-15 medium by liquid scintillation counting
50010191	10	ChEMBL_1932415 (CHEMBL4478067)	Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ by liquid scintillation counting
50010191	11	ChEMBL_1932404 (CHEMBL4478056)	Binding affinity to human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ after 90 mins in presence of sodium-free HEPES buffer by liquid scintillation counting
50010191	12	ChEMBL_1932414 (CHEMBL4478066)	Displacement of [3H]18 from human NPY Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ by liquid scintillation counting
50010194	1	ChEMBL_1932425 (CHEMBL4478077)	Agonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	2	ChEMBL_1932424 (CHEMBL4478076)	Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation preincubated for 5 mins followed by icilin addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	3	ChEMBL_1932440 (CHEMBL4478092)	Antagonist activity at recombinant rat TRPV4 expressed in HEK293 cells assessed as inhibition of 4alphaPDD-induced intracellular calcium accumulation preincubated for 5 mins followed by 4alphaPDD addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	4	ChEMBL_1932437 (CHEMBL4478089)	Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium accumulation preincubated for 5 mins followed by capsaicin addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	5	ChEMBL_1932436 (CHEMBL4478088)	Antagonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation preincubated for 5 mins followed by AITC addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	6	ChEMBL_1932438 (CHEMBL4478090)	Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced intracellular calcium accumulation preincubated for 5 mins followed by LPC addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010194	7	ChEMBL_1932439 (CHEMBL4478091)	Antagonist activity at recombinant rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced intracellular calcium accumulation preincubated for 5 mins followed by thymol addition by Fluo-4-AM probe-based spectrofluorimetric assay
50010196	1	ChEMBL_1932452 (CHEMBL4478104)	Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by fluorescence assay
50010196	2	ChEMBL_1932473 (CHEMBL4478125)	Inhibition of human microsomal MAO-A expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by fluorescence assay
50010196	3	ChEMBL_1932460 (CHEMBL4478112)	Competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by Dixon plot method
50010196	4	ChEMBL_1932461 (CHEMBL4478113)	Non-competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by Dixon plot method
50010197	1	ChEMBL_1932475 (CHEMBL4478127)	Inhibition of equine serum BuChE using BTCI as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Ellman assay
50010197	2	ChEMBL_1932474 (CHEMBL4478126)	Inhibition of human erythrocyte AChE using ATCI as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Ellman assay
50010198	1	ChEMBL_1932515 (CHEMBL4478167)	Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based fluorescence plate reader analysis
50010198	2	ChEMBL_1932516 (CHEMBL4478168)	Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline-1-oxide by Hoechst 33258 staining based plate reader analysis
50010198	3	ChEMBL_1932514 (CHEMBL4478166)	Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of ATP by HTRF method
50010198	4	ChEMBL_1932565 (CHEMBL4478217)	Inhibition of PI3Kalpha in human BT474 cells assessed as reduction in AKT phosphorylation at Thr-308 residue
50010198	5	ChEMBL_1932537 (CHEMBL4478189)	Inhibition of C-terminal FLAG-tagged recombinant mTOR (1362 to 2549 residues) (unknown origin) using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-Pro-Ser-Val-Leu-Glu-Ser-Val-Lys-Glu-NH2 as substrate after 90 mins by AlphaScreen assay
50010198	6	ChEMBL_1932538 (CHEMBL4478190)	Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition
50010198	7	ChEMBL_1932539 (CHEMBL4478191)	Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based luminescence assay
50010198	8	ChEMBL_1932540 (CHEMBL4478192)	Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based luminescence assay
50010198	9	ChEMBL_1932547 (CHEMBL4478199)	Inhibition of GSK3beta (unknown origin)
50010198	10	ChEMBL_1932520 (CHEMBL4478172)	Inhibition of human ERG by electrophysiology assay
50010198	11	ChEMBL_1932541 (CHEMBL4478193)	Inhibition of human recombinant PI3Kgamma using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based luminescence assay
50010198	12	ChEMBL_1932548 (CHEMBL4478200)	Inhibition of KDR (unknown origin)
50010198	13	ChEMBL_1932560 (CHEMBL4478212)	Inhibition of DNAPK phosphorylation at Ser-2056 residue in human HT-29 cells
50010200	1	ChEMBL_1932573 (CHEMBL4478225)	Inhibition of human N-terminal GST-tagged FLT3 (564 to 993 residues) expressed in baculovirus expression system using peptide FAM-P2 as substrate incubated for 10 mins followed by substrate addition by mobility shift assay
50010200	2	ChEMBL_1932658 (CHEMBL4478310)	Binding affinity to human partial length wild type FLT3 (592 to 969 residues) expressed in bacterial expression system after 1 hr
50010200	3	ChEMBL_1932662 (CHEMBL4478314)	Binding affinity to human partial length FLT3 D835V mutant (592 to 969 residues) expressed in mammalian expression system after 1 hr
50010200	4	ChEMBL_1932672 (CHEMBL4478324)	Binding affinity to FLT3 ITD mutant (unknown origin)
50010200	5	ChEMBL_1932659 (CHEMBL4478311)	Binding affinity to human partial length FLT3 ITD mutant expressed in bacterial expression system after 1 hr
50010200	6	ChEMBL_1932660 (CHEMBL4478312)	Binding affinity to human partial length FLT3 D835H mutant (592 to 969 residues) expressed in bacterial expression system after 1 hr
50010200	7	ChEMBL_1932661 (CHEMBL4478313)	Binding affinity to human partial length FLT3 D835Y mutant (580 to 969 residues) expressed in bacterial expression system after 1 hr
50010200	8	ChEMBL_1932663 (CHEMBL4478315)	Binding affinity to human partial length FLT3 ITD/D835V mutant expressed in mammalian expression system after 1 hr
50010200	9	ChEMBL_1932673 (CHEMBL4478325)	Binding affinity to FLT3 D835H mutant (unknown origin)
50010200	10	ChEMBL_1932674 (CHEMBL4478326)	Binding affinity to FLT3 D835Y mutant (unknown origin)
50010200	11	ChEMBL_1932664 (CHEMBL4478316)	Binding affinity to human partial length FLT3 ITD/F691L mutant expressed in mammalian expression system after 1 hr
50010200	12	ChEMBL_1932665 (CHEMBL4478317)	Binding affinity to auto-inhibited human partial length wild type FLT3 (564 to 969 residues) expressed in mammalian expression system after 1 hr
50010200	13	ChEMBL_1932671 (CHEMBL4478323)	Binding affinity to wild type FLT3 (unknown origin)
50010200	15	ChEMBL_1932574 (CHEMBL4478226)	Inhibition of FLT3 (unknown origin) (592 to 969 residues)
50010201	1	ChEMBL_1932713 (CHEMBL4478365)	Inhibition of human ERG
50010202	1	ChEMBL_1932774 (CHEMBL4478426)	Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in pheophorbide A efflux pre-incubated for 30 mins before Hoechst 33342 addition and measured for 120 mins by flow cytometry
50010202	2	ChEMBL_1932775 (CHEMBL4478427)	Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux pre-incubated for 30 mins before Hoechst 33342 addition and measured for 120 mins by microplate reader analysis
50010202	3	ChEMBL_1932771 (CHEMBL4478423)	Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcein AM efflux pre-incubated for 30 mins before calcein AM addition and measured for 60 mins by microplate reader analysis relative to control
50010202	4	ChEMBL_1932787 (CHEMBL4478439)	Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive quercetin-stimulated ATPase activity after 20 mins by colorimetric method
50010202	5	ChEMBL_1932786 (CHEMBL4478438)	Inhibition of human ABCG2 expressed in baculovirus infected Sf9 cell membrane assessed as inhibition of vanadate sensitive basal ATPase activity after 20 mins by colorimetric method
50010203	1	ChEMBL_1932801 (CHEMBL4478453)	Inhibition of RNase H activity of full length HIV1 reverse transcriptase using RNA-DNA duplex HTS-1 substrate
50010203	2	ChEMBL_1932792 (CHEMBL4478444)	Inhibition of HIV1 recombinant integrase expressed in Escherichia coli using [32P]-labeled oligonucleotide as substrate after 60 mins by strand transfer activity assay
50010204	1	ChEMBL_1932812 (CHEMBL4478464)	Inhibition of full length recombinant Pim-1 (unknown origin) assessed as reduction in phosphorylation of biotinylated-BAD peptide at Serine 112 residue preincubated for 30 mins followed by substrate addition for 1 hr by HTRF assay
50010204	2	ChEMBL_1932813 (CHEMBL4478465)	Inhibition of full length recombinant Pim-2 (unknown origin) assessed as reduction in phosphorylation of biotinylated-BAD peptide at Serine 112 residue preincubated for 30 mins followed by substrate addition for 1 hr by HTRF assay
50010204	3	ChEMBL_1932842 (CHEMBL4478494)	Inhibition of CYP3A4 (unknown origin)
50010204	4	ChEMBL_1932814 (CHEMBL4478466)	Inhibition of pan Pim in human KMS-12-BM cells assessed as reduction in phosphorylation of biotinylated-BAD peptide at Serine 112 residue after 110 mins by flow cytometry
50010204	5	ChEMBL_1932844 (CHEMBL4478496)	Inhibition of CYP2C19 (unknown origin)
50010204	6	ChEMBL_1932845 (CHEMBL4478497)	Inhibition of CYP2D6 (unknown origin)
50010204	7	ChEMBL_1932850 (CHEMBL4478502)	Binding affinity to human PIM1 (15 to 313 residues) expressed in bacterial system by KINOMEScan assay
50010204	8	ChEMBL_1932843 (CHEMBL4478495)	Inhibition of CYP1A2 (unknown origin)
50010204	9	ChEMBL_1932857 (CHEMBL4478509)	Binding affinity to human PIM3 (16 to 317 residues) expressed in bacterial system by KINOMEScan assay
50010204	10	ChEMBL_1932847 (CHEMBL4478499)	Inhibition of human ERG
50010204	11	ChEMBL_1932856 (CHEMBL4478508)	Binding affinity to human PIM2 (1 to 291 residues) expressed in bacterial system by KINOMEScan assay
50010207	1	ChEMBL_1932894 (CHEMBL4478546)	Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FAM fluorophore/3'-TAMRA quencher)-labeled 17-mer ssDNA-oligomer substrate measured over 45 mins by FRET analysis
50010208	1	ChEMBL_1933005 (CHEMBL4478657)	Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by Alphascreen assay
50010208	2	ChEMBL_1933006 (CHEMBL4478658)	Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by Alphascreen assay
50010208	3	ChEMBL_1933013 (CHEMBL4478665)	Inhibition of AKT1 phosphorylation at Thr308 in EGF/insulin-stimulated human AN3CA cells incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010208	4	ChEMBL_1933017 (CHEMBL4478669)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins by LC/MS/MS analysis
50010208	5	ChEMBL_1933020 (CHEMBL4478672)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis
50010208	6	ChEMBL_1933002 (CHEMBL4478654)	Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate/PDK1/MAPKAPK2/DOPS/DOPC/PtdIns(3,4,5)P3 addition measured after 30 mins by Alphascreen assay
50010208	7	ChEMBL_1933004 (CHEMBL4478656)	Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by Alphascreen assay
50010208	8	ChEMBL_1933018 (CHEMBL4478670)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins by LC/MS/MS analysis
50010208	9	ChEMBL_1933019 (CHEMBL4478671)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins by LC/MS/MS analysis
50010208	10	ChEMBL_1932999 (CHEMBL4478651)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins by LC/MS/MS analysis
50010208	11	ChEMBL_1933000 (CHEMBL4478652)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins by LC/MS/MS analysis
50010208	12	ChEMBL_1933001 (CHEMBL4478653)	Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate/PDK1/MAPKAPK2/DOPS/DOPC/PtdIns(3,4,5)P3 addition measured after 30 mins by Alphascreen assay
50010208	13	ChEMBL_1933003 (CHEMBL4478655)	Inhibition of full length active AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAEG as substrate preincubated for 20 mins followed by substrate/PDK1/MAPKAPK2/DOPS/DOPC/PtdIns(3,4,5)P3 addition measured after 30 mins by Alphascreen assay
50010208	14	ChEMBL_1933011 (CHEMBL4478663)	Inhibition of AKT1 phosphorylation at Ser473 in EGF/insulin-stimulated human AN3CA cells incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010208	15	ChEMBL_1933014 (CHEMBL4478666)	Inhibition of AKT1 phosphorylation at Thr308 in EGF/insulin-stimulated human A2780 cells incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010208	16	ChEMBL_1933016 (CHEMBL4478668)	Inhibition of AKT1 in EGF/insulin-stimulated human A2780 cells assessed as reduction in phosphorylation at Thr246 incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010208	17	ChEMBL_1933015 (CHEMBL4478667)	Inhibition of AKT1 in EGF/insulin-stimulated human AN3CA cells assessed as reduction in phosphorylation at Thr246 incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010208	18	ChEMBL_1933012 (CHEMBL4478664)	Inhibition of AKT1 phosphorylation at Ser473 in EGF/insulin-stimulated human A2780 cells incubated for 1 hr followed by stimulation for 15 mins by Western blot analysis
50010209	1	ChEMBL_1933058 (CHEMBL4478710)	Inhibition of TMP/methicillin-resistant Staphylococcus aureus wild type DHFR assessed as oxidation of NADPH pre-incubated for 5 mins followed by dihydrofolate substrate addition
50010210	1	ChEMBL_1933088 (CHEMBL4478740)	Inhibition of human CYP2D6 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(aminomethyl)-coumarin as substrate by fluorescence assay
50010210	2	ChEMBL_1933089 (CHEMBL4478741)	Inhibition of human CYP3A4 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Diethoxyfluorescein/7-Benzyloxyquinoline as substrate by fluorescence assay
50010210	3	ChEMBL_1933087 (CHEMBL4478739)	Inhibition of human CYP2C19 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 3-Cyano-7-Ethoxycoumarin as substrate by fluorescence assay
50010210	4	ChEMBL_1933085 (CHEMBL4478737)	Inhibition of human CYP1A2 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using Ethoxyresorufin as substrate by fluorescence assay
50010210	5	ChEMBL_1933086 (CHEMBL4478738)	Inhibition of human CYP2C9 expressed in Escherichia coli pre-incubated for 5 mins before regenerating cofactor solution addition using 7-methoxy-4-(trifluoromethyl)-coumarin as substrate by fluorescence assay
50010211	1	ChEMBL_1933115 (CHEMBL4478767)	Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addition measured after 41/2 to 5 hrs by STAT6 reporter gene assay
50010211	2	ChEMBL_1933112 (CHEMBL4478764)	Inhibition of human Gst-tagged TYK2 ( 871 to 1187 residues) expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay
50010211	3	ChEMBL_1933111 (CHEMBL4478763)	Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay
50010211	4	ChEMBL_1933110 (CHEMBL4478762)	Inhibition of human His-tagged JAK2 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay
50010211	5	ChEMBL_1933109 (CHEMBL4478761)	Inhibition of human Gst-tagged JAK1 (850 to 1154 residues) expressed in baculovirus using biotin-synthetic peptide as substrate after 40 mins by HTRF assay
50010211	6	ChEMBL_1933114 (CHEMBL4478766)	Inhibition of human His-tagged JAK2 expressed in baculovirus using biotin-synthetic peptide as substrate by SPR assay
50010211	7	ChEMBL_1933117 (CHEMBL4478769)	Binding affinity to human ERG
50010212	1	ChEMBL_1933122 (CHEMBL4478774)	Inhibition of HIV1 reverse transcriptase using T19-Cy5 labeled 23-mer DNA/T2-TAMRA labeled 63-mer DNA as primer/template assessed as inhibition of dNTP incorporation into primer/template
50010213	1	ChEMBL_1933182 (CHEMBL4478834)	Inhibition of CYP2E1 (unknown origin)
50010213	2	ChEMBL_1933151 (CHEMBL4478803)	Inhibition of HCV genotype 1a NS5B L419M mutant
50010213	3	ChEMBL_1933145 (CHEMBL4478797)	Allosteric inhibition of HCV genotype 1a NS5A infected in human W11.8 cells assessed as reduction in viral RNA replication after 4 days by ELISA
50010213	4	ChEMBL_1933142 (CHEMBL4478794)	Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/translation after 4 days by luciferase reporter gene assay
50010213	5	ChEMBL_1933155 (CHEMBL4478807)	Inhibition of HCV genotype 1a NS5B M423V mutant
50010213	6	ChEMBL_1933154 (CHEMBL4478806)	Inhibition of HCV genotype 1a NS5B M423T mutant
50010213	7	ChEMBL_1933152 (CHEMBL4478804)	Inhibition of HCV genotype 1a NS5B L419I mutant
50010213	8	ChEMBL_1933150 (CHEMBL4478802)	Inhibition of HCV genotype 2a NS5A
50010213	9	ChEMBL_1933256 (CHEMBL4478908)	Inhibition of CYP450 (unknown origin)
50010213	10	ChEMBL_1933147 (CHEMBL4478799)	Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/translation after 4 days in presence of 40% human serum by luciferase reporter gene assay
50010213	11	ChEMBL_1933153 (CHEMBL4478805)	Inhibition of HCV genotype 1a NS5B M423I mutant
50010214	1	ChEMBL_1933260 (CHEMBL4478912)	Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red fluorescence based spectrophotometry
50010214	2	ChEMBL_1933261 (CHEMBL4478913)	Inhibition of human recombinant MAO-B preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red fluorescence based spectrophotometry
50010215	1	ChEMBL_1933556 (CHEMBL4479208)	Inhibition of human LDHA assessed as conversion of pyruvate to lactate measuring disappearance of NADH after 10 mins by fluorescence assay
50010216	1	ChEMBL_1933595 (CHEMBL4479247)	Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins in presence of TMH5-TAT peptide by Gq protein activation based BRET assay
50010216	2	ChEMBL_1933583 (CHEMBL4479235)	Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	3	ChEMBL_1933586 (CHEMBL4479238)	Agonist activity at human oxytocin receptor C47A mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	4	ChEMBL_1933591 (CHEMBL4479243)	Agonist activity at human oxytocin receptor V43A/C47A double mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	5	ChEMBL_1933602 (CHEMBL4479254)	Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins in presence of TMH5-TAT peptide by Gq protein activation based BRET assay
50010216	6	ChEMBL_1933603 (CHEMBL4479255)	Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins in presence of TMH5-TAT peptide by Gq protein activation based BRET assay
50010216	7	ChEMBL_1933584 (CHEMBL4479236)	Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	8	ChEMBL_1933582 (CHEMBL4479234)	Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	9	ChEMBL_1933589 (CHEMBL4479241)	Agonist activity at human oxytocin receptor C47A mutant high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	10	ChEMBL_1933590 (CHEMBL4479242)	Agonist activity at human oxytocin receptor C47A mutant low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	11	ChEMBL_1933592 (CHEMBL4479244)	Agonist activity at human oxytocin receptor V43A/C47A double mutant high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010216	12	ChEMBL_1933594 (CHEMBL4479246)	Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins in presence of TMH1-TAT peptide by Gq protein activation based BRET assay
50010216	13	ChEMBL_1933593 (CHEMBL4479245)	Agonist activity at human oxytocin receptor V43A/C47A double mutant low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 protein incubated for 2 mins by Gq protein activation based BRET assay
50010218	1	ChEMBL_1933634 (CHEMBL4479286)	Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method
50010218	2	ChEMBL_1933633 (CHEMBL4479285)	Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method
50010219	1	ChEMBL_1933645 (CHEMBL4479297)	Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system assessed as remaining activity using MBP as substrate and [32P]ATP measured after 10 mins by Kinase-Glo assay
50010219	2	ChEMBL_1933644 (CHEMBL4479296)	Inhibition of rat TAOK2 (1 to 320 residues) expressed in Baculovirus/insect cell expression system using MBP as substrate measured after 30 mins in presence of [32P]ATP by radiometric assay
50010220	1	ChEMBL_1933656 (CHEMBL4479308)	Antagonist activity at human P2X7 receptor
50010220	2	ChEMBL_1933657 (CHEMBL4479309)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluorescence analysis
50010220	3	ChEMBL_1933658 (CHEMBL4479310)	Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta release per-incubated for 30 mins before BzATP addition and measured after 30 mins by ELISA
50010220	4	ChEMBL_1933669 (CHEMBL4479321)	Antagonist activity at human P2X4 receptor expressed in CHO cells assessed as inhibition of ATP-induced calcium influx
50010220	5	ChEMBL_1933659 (CHEMBL4479311)	Antagonist activity at human P2X1 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins prior to ATP-stimulation by calcium influx assay
50010220	6	ChEMBL_1933664 (CHEMBL4479316)	Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins prior to ATP-stimulation by calcium influx assay
50010220	7	ChEMBL_1933660 (CHEMBL4479312)	Antagonist activity at P2X1 receptor in rat vas deferens assessed as inhibition of alpha/beta-meATP-induced calcium influx
50010220	8	ChEMBL_1933662 (CHEMBL4479314)	Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins prior to ATP-stimulation by calcium influx assay
50010220	9	ChEMBL_1933665 (CHEMBL4479317)	Antagonist activity at P2X3 receptor in Wistar rat DRG neurons assessed as inhibition of alpha/beta-meATP-induced currents preincubated for 5 mins prior to alpha/beta-meATP-stimulation measured at every sec for 5 mins by whole cell patch-clamp assay
50010220	10	ChEMBL_1933667 (CHEMBL4479319)	Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 mins prior to ATP-stimulation by calcium influx assay
50010221	1	ChEMBL_1933678 (CHEMBL4479330)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of biotin-labeled PIP3 by HTRF assay
50010221	2	ChEMBL_1933713 (CHEMBL4479365)	Inhibition of Aurora B (unknown origin)
50010221	3	ChEMBL_1933730 (CHEMBL4479382)	Inhibition of IKK2 (unknown origin)
50010221	4	ChEMBL_1933712 (CHEMBL4479364)	Inhibition of Aurora A (unknown origin)
50010221	5	ChEMBL_1933728 (CHEMBL4479380)	Inhibition of FRAP1 (unknown origin)
50010221	6	ChEMBL_1933736 (CHEMBL4479388)	Inhibition of SPHK2 (unknown origin)
50010221	7	ChEMBL_1933677 (CHEMBL4479329)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of biotin-labeled PIP3 by HTRF assay
50010221	8	ChEMBL_1933679 (CHEMBL4479331)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of biotin-labeled PIP3 by HTRF assay
50010221	9	ChEMBL_1933680 (CHEMBL4479332)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of biotin-labeled PIP3 by HTRF assay
50010221	10	ChEMBL_1933684 (CHEMBL4479336)	Inhibition of PI3Kdelta in human PBMC assessed as reduction in cytostim-induced IFNgamma production after 20 hrs by electrochemiluminescence assay
50010221	11	ChEMBL_1933714 (CHEMBL4479366)	Inhibition of BTK (unknown origin)
50010221	12	ChEMBL_1933716 (CHEMBL4479368)	Inhibition of GSK3beta (unknown origin)
50010221	13	ChEMBL_1933717 (CHEMBL4479369)	Inhibition of ITK (unknown origin)
50010221	14	ChEMBL_1933721 (CHEMBL4479373)	Inhibition of LRRK2 (unknown origin)
50010221	15	ChEMBL_1933722 (CHEMBL4479374)	Inhibition of ROCK1 (unknown origin)
50010221	16	ChEMBL_1933725 (CHEMBL4479377)	Inhibition of choline kinase alpha (unknown origin)
50010221	17	ChEMBL_1933729 (CHEMBL4479381)	Inhibition of IKK1 (unknown origin)
50010221	18	ChEMBL_1933731 (CHEMBL4479383)	Inhibition of PI4K2A (unknown origin)
50010221	19	ChEMBL_1933733 (CHEMBL4479385)	Inhibition of PIK4A (unknown origin)
50010221	20	ChEMBL_1933735 (CHEMBL4479387)	Inhibition of SPHK1 (unknown origin)
50010221	21	ChEMBL_1933738 (CHEMBL4479390)	Inhibition of PDE4B (unknown origin)
50010221	22	ChEMBL_1933739 (CHEMBL4479391)	Inhibition of DNA-PK (unknown origin)
50010221	23	ChEMBL_1933740 (CHEMBL4479392)	Inhibition of PIK4B (unknown origin)
50010221	24	ChEMBL_1933715 (CHEMBL4479367)	Inhibition of EGFR (unknown origin)
50010221	25	ChEMBL_1933719 (CHEMBL4479371)	Inhibition of JAK3 (unknown origin)
50010221	26	ChEMBL_1933724 (CHEMBL4479376)	Inhibition of CHKB (unknown origin)
50010221	27	ChEMBL_1933727 (CHEMBL4479379)	Inhibition of DAGK zeta (unknown origin)
50010221	28	ChEMBL_1933737 (CHEMBL4479389)	Inhibition of P38alpha (unknown origin)
50010221	29	ChEMBL_1933700 (CHEMBL4479352)	Inhibition of PI3Kgamma/delta in human whole blood assessed as inhibition of FcepsilonR1/fMLP-stimulated basophil degranulation by measuring CD63+ cells
50010221	30	ChEMBL_1933732 (CHEMBL4479384)	Inhibition of PIK3C2B (unknown origin)
50010221	31	ChEMBL_1933723 (CHEMBL4479375)	Inhibition of SYK (unknown origin)
50010221	32	ChEMBL_1933720 (CHEMBL4479372)	Inhibition of LCK (unknown origin)
50010221	33	ChEMBL_1933711 (CHEMBL4479363)	Inhibition of ASK1 (unknown origin)
50010221	34	ChEMBL_1933718 (CHEMBL4479370)	Inhibition of JAK2 (unknown origin)
50010221	35	ChEMBL_1933734 (CHEMBL4479386)	Inhibition of PIP4K2A (unknown origin)
50010222	1	ChEMBL_1933747 (CHEMBL4479399)	Inhibition of DHT-induced androgen receptor transactivation in human LNCaP cells after 24 hrs by luciferase reporter gene assay relative to control
50010222	2	ChEMBL_1933751 (CHEMBL4479403)	Inhibition of CYP17 (unknown origin)
50010223	1	ChEMBL_1933760 (CHEMBL4479412)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based competitive activity based protein profiling assay
50010223	2	ChEMBL_1933756 (CHEMBL4479408)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based competitive activity based protein profiling assay
50010223	3	ChEMBL_1933757 (CHEMBL4479409)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human Raji cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based competitive activity based protein profiling assay
50010223	4	ChEMBL_1933761 (CHEMBL4479413)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human Raji cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based competitive activity based protein profiling assay
50010223	5	ChEMBL_1933762 (CHEMBL4479414)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based competitive activity based protein profiling assay
50010223	6	ChEMBL_1933763 (CHEMBL4479415)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta1 in human Raji cells incubated for 1 hr by Cy5-NC-001 probe based competitive activity based protein profiling assay
50010223	7	ChEMBL_1933764 (CHEMBL4479416)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta5 in human RPMI8226 cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based competitive activity based protein profiling assay
50010223	8	ChEMBL_1933765 (CHEMBL4479417)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta5 in human RPMI8226 cells incubated for 1 hr by BODIPY(TMR)-NC-005-VS probe based competitive activity based protein profiling assay
50010223	9	ChEMBL_1933768 (CHEMBL4479420)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta1 in human RPMI8226 cells incubated for 1 hr by Cy5-NC-001 probe based competitive activity based protein profiling assay
50010223	10	ChEMBL_1933766 (CHEMBL4479418)	Inhibition of catalytic activity of constitutive proteasome 20s subunit beta2 in human RPMI8226 cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based competitive activity based protein profiling assay
50010223	11	ChEMBL_1933767 (CHEMBL4479419)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta2 in human RPMI8226 cells incubated for 1 hr by BODIPY(FL)-LU-112 probe based competitive activity based protein profiling assay
50010223	12	ChEMBL_1933769 (CHEMBL4479421)	Inhibition of catalytic activity of immunoproteasome 20s subunit beta1 in human RPMI8226 cells incubated for 1 hr by Cy5-NC-001 probe based competitive activity based protein profiling assay
50010224	1	ChEMBL_1933772 (CHEMBL4479424)	Inhibition of human alpha-thrombin using chromogenic substrate Pefachrome tPa measured every second for 20 mins by spectrophotometry
50010225	1	ChEMBL_1933774 (CHEMBL4479426)	Inhibition of c-Met kinase (unknown origin) assessed as decrease in phosphorylation of TK substrate-biotin peptide preincubated for 5 to 10 mins followed by ATP addition measured after 30 mins by HTRF assay
50010225	2	ChEMBL_1933807 (CHEMBL4479459)	Inhibition of human FGFR1
50010225	3	ChEMBL_1933797 (CHEMBL4479449)	Inhibition of human PDGFRbeta
50010225	4	ChEMBL_1933790 (CHEMBL4479442)	Inhibition of human AXL
50010225	5	ChEMBL_1933792 (CHEMBL4479444)	Inhibition of human ALK
50010225	6	ChEMBL_1933793 (CHEMBL4479445)	Inhibition of human FLT1
50010225	7	ChEMBL_1933796 (CHEMBL4479448)	Inhibition of human PDGFRalpha
50010225	8	ChEMBL_1933798 (CHEMBL4479450)	Inhibition of human RET
50010225	9	ChEMBL_1933800 (CHEMBL4479452)	Inhibition of human EGFR T790M mutant
50010225	10	ChEMBL_1933802 (CHEMBL4479454)	Inhibition of human c- SRC
50010225	11	ChEMBL_1933804 (CHEMBL4479456)	Inhibition of human EPHA2
50010225	12	ChEMBL_1933805 (CHEMBL4479457)	Inhibition of human EPHB2
50010225	13	ChEMBL_1933795 (CHEMBL4479447)	Inhibition of human c-Kit
50010225	14	ChEMBL_1933803 (CHEMBL4479455)	Inhibition of human ABL
50010225	15	ChEMBL_1933799 (CHEMBL4479451)	Inhibition of human EGFR
50010225	16	ChEMBL_1933791 (CHEMBL4479443)	Inhibition of human RON
50010225	17	ChEMBL_1933794 (CHEMBL4479446)	Inhibition of human VEGFR2
50010225	18	ChEMBL_1933801 (CHEMBL4479453)	Inhibition of human ERBB4
50010225	19	ChEMBL_1933806 (CHEMBL4479458)	Inhibition of human IGF1R
50010226	1	ChEMBL_1933810 (CHEMBL4479462)	Inhibition of EZH2 histone methyltransferase activity of EZH2/EED/SUZ12 protein complex (unknown origin) using histone H3 peptide as substrate (21 to 44 residues) in presence of [3H]-S-adenosylmethionine after 2 hrs by scintillation proximity assay
50010226	2	ChEMBL_1933811 (CHEMBL4479463)	Inhibition of EZH1 histone methyltransferase activity of EZH1/EED/SUZ12/RBBP4/AEBP2 protein complex (unknown origin) using histone H3 peptide as substrate (21 to 44 residues) in presence of [3H]-S-adenosylmethionine after 2 hrs by scintillation proximity assay
50010227	1	ChEMBL_1933830 (CHEMBL4479482)	Positive allosteric modulation activity at human M4 receptor expressed in CHO cells co-expressing Gqi5 protein assessed as potentiation of EC20 acetyl choline-induced response by calcium mobilization assay
50010227	2	ChEMBL_1933832 (CHEMBL4479484)	Positive allosteric modulation activity at rat M4 receptor expressed in CHO cells co-expressing Gqi5 protein assessed as potentiation of EC20 acetyl choline-induced response by calcium mobilization assay
50010228	1	ChEMBL_1933876 (CHEMBL4479528)	Antagonist activity against PAR4 activating peptide domain in human platelets assessed as inhibition of alpha2bbeta3 activation level by PAC1 binding assay
50010228	2	ChEMBL_1933893 (CHEMBL4479545)	Inhibition of CYP1A2 in human liver microsomes incubated for 15 mins using phenacetin substrate in presence of NADPH by LC-MS/MS method
50010228	3	ChEMBL_1933896 (CHEMBL4479548)	Inhibition of CYP3A4 in human liver microsomes incubated for 15 mins using midazolam substrate in presence of NADPH by LC-MS/MS method
50010228	4	ChEMBL_1933877 (CHEMBL4479529)	Inhibition of PAR1 (unknown origin)
50010228	5	ChEMBL_1933894 (CHEMBL4479546)	Inhibition of CYP2C9 in human liver microsomes incubated for 15 mins using diclofenac substrate in presence of NADPH by LC-MS/MS method
50010228	6	ChEMBL_1933895 (CHEMBL4479547)	Inhibition of CYP2D6 in human liver microsomes incubated for 15 mins using dextromethorphan substrate in presence of NADPH by LC-MS/MS method
50010228	7	ChEMBL_1933878 (CHEMBL4479530)	Antagonist activity against PAR4 activating peptide domain in in human platelets assessed as inhibition of P-selectin activation
50010228	8	ChEMBL_1933885 (CHEMBL4479537)	Antagonist activity at PAR4 TL domain in human platelets assessed as gamma-thrombin-induced PAC1 binding response preincubated for 20 mins followed by agonist addition for 20 mins by FITC based flow cytometric analysis
50010228	9	ChEMBL_1933890 (CHEMBL4479542)	Antagonist activity PAR4 (unknown origin)
50010228	10	ChEMBL_1933886 (CHEMBL4479538)	Antagonist activity at PAR4 TL domain in human platelets assessed as gamma-thrombin-induced P-selectin activation preincubated for 20 mins followed by agonist addition for 20 mins by FITC based flow cytometric analysis
50010228	11	ChEMBL_1933892 (CHEMBL4479544)	Antagonist activity at PAR4 in human platelets after 10 mins by flow cytometric analysis
50010229	1	ChEMBL_1933903 (CHEMBL4479555)	Inhibition of PRMT5 (unknown origin)
50010229	2	ChEMBL_1933899 (CHEMBL4479551)	Inhibition of DOT1L (unknown origin) using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method
50010229	3	ChEMBL_1933901 (CHEMBL4479553)	Inhibition of DNMT1 (unknown origin)
50010229	4	ChEMBL_1933902 (CHEMBL4479554)	Inhibition of PRMT3 (unknown origin)
50010229	5	ChEMBL_1933904 (CHEMBL4479556)	Inhibition of G9a (unknown origin)
50010229	6	ChEMBL_1933906 (CHEMBL4479558)	Inhibition of SUV39H2 (unknown origin)
50010229	7	ChEMBL_1933908 (CHEMBL4479560)	Inhibition of recombinant human DOT1L (1 to 472 residues) preincubated for 10 mins prior addition of [3H]SAM measured after 30 mins by Beckman LS-6500 scintillation counter method
50010229	8	ChEMBL_1933910 (CHEMBL4479562)	Inhibition of human 6His-tagged DOT1L (1 to 420 residues) measured after 30 mins by AlphaScreen binding assay
50010229	9	ChEMBL_1933909 (CHEMBL4479561)	Inhibition of human recombinant DOT1L (1 to 416 residues) using chicken erythrocyte oligonucleosomes as substrate and [3H]-SAM incubated for 120 mins by flashplate based assay
50010229	10	ChEMBL_1933905 (CHEMBL4479557)	Inhibition of SETD7 (unknown origin)
50010229	11	ChEMBL_1933900 (CHEMBL4479552)	Inhibition of human recombinant DOT1L (1 to 420 amino acids) expressed in Escherichia coli
50010229	12	ChEMBL_1933907 (CHEMBL4479559)	Inhibition of EZH2 (unknown origin)
50010230	1	ChEMBL_1933924 (CHEMBL4479576)	Inhibition of HSP90alpha (unknown origin)
50010233	1	ChEMBL_1933978 (CHEMBL4479630)	Inhibition of human PDE2A
50010233	2	ChEMBL_1933974 (CHEMBL4479626)	Inhibition of human recombinant full length PDE10A expressed in sf9 cells by scintillation proximity assay
50010233	3	ChEMBL_1933995 (CHEMBL4479647)	Inhibition of recombinant CYP2D6 (unknown origin)
50010233	4	ChEMBL_1933977 (CHEMBL4479629)	Inhibition of human PDE1B
50010233	5	ChEMBL_1933980 (CHEMBL4479632)	Inhibition of human PDE4D
50010233	6	ChEMBL_1933981 (CHEMBL4479633)	Inhibition of human PDE5A
50010233	7	ChEMBL_1933984 (CHEMBL4479636)	Inhibition of human PDE
50010233	8	ChEMBL_1933993 (CHEMBL4479645)	Inhibition of recombinant CYP2C9 (unknown origin)
50010233	9	ChEMBL_1933996 (CHEMBL4479648)	Inhibition of recombinant CYP1A2 (unknown origin)
50010233	10	ChEMBL_1933979 (CHEMBL4479631)	Inhibition of human PDE3B
50010233	11	ChEMBL_1933982 (CHEMBL4479634)	Inhibition of human PDE7A
50010233	12	ChEMBL_1933992 (CHEMBL4479644)	Inhibition of recombinant CYP3A4 (unknown origin)
50010233	13	ChEMBL_1933976 (CHEMBL4479628)	Inhibition of rat PDE10A by scintillation proximity assay
50010233	14	ChEMBL_1933983 (CHEMBL4479635)	Inhibition of human PDE9A
50010233	15	ChEMBL_1933994 (CHEMBL4479646)	Inhibition of recombinant CYP2C19 (unknown origin)
50010234	1	ChEMBL_1934020 (CHEMBL4479672)	Inhibition of full-length recombinant human 6His-tagged SENP1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by addition of SUMO1-AMC as substrate measured after 1 hr by fluorescence analysis
50010234	2	ChEMBL_1934022 (CHEMBL4479674)	Binding affinity to full-length recombinant human 6His-tagged SENP1 expressed in Escherichia coli BL21 (DE3)
50010234	3	ChEMBL_1934021 (CHEMBL4479673)	Binding affinity to recombinant human 6His-tagged SENP1 catalytic domain expressed in Escherichia coli
50010234	4	ChEMBL_1934019 (CHEMBL4479671)	Inhibition of recombinant human 6His-tagged SENP1 catalytic domain expressed in Escherichia coli preincubated for 15 mins followed by addition of SUMO1-AMC as substrate measured after 1 hr by fluorescence analysis
50010235	1	ChEMBL_1934045 (CHEMBL4479697)	Inhibition of full-length recombinant human His-tagged AURKB expressed in baculovirus expression system by LanthaScreen assay
50010235	2	ChEMBL_1934055 (CHEMBL4479707)	Inhibition of full-length recombinant human His-tagged CHEK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	3	ChEMBL_1934085 (CHEMBL4479737)	Inhibition of recombinant human His-tagged cytoplasmic KDR expressed in baculovirus expression system by Z'-LYTE assay
50010235	4	ChEMBL_1934106 (CHEMBL4479758)	Inhibition of recombinant human His-tagged cytoplasmic NTRK3 expressed in baculovirus expression system by Z'-LYTE assay
50010235	5	ChEMBL_1934115 (CHEMBL4479767)	Inhibition of full-length recombinant human His-tagged PLK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	6	ChEMBL_1934064 (CHEMBL4479716)	Inhibition of recombinant human His-tagged cytoplasmic EPHA3 expressed in baculovirus expression system by LanthaScreen assay
50010235	7	ChEMBL_1934075 (CHEMBL4479727)	Inhibition of recombinant human C-terminal His-tagged cytoplasmic IGF1R (960 to 1397 residues) expressed in baculovirus expression system by Z'-LYTE assay
50010235	8	ChEMBL_1934098 (CHEMBL4479750)	Inhibition of full-length recombinant human His-tagged MAPKAPK5 expressed in baculovirus expression system by Z'-LYTE assay
50010235	9	ChEMBL_1934124 (CHEMBL4479776)	Inhibition of full-length recombinant human His-tagged RPS6KA3 expressed in baculovirus expression system by Z'-LYTE assay
50010235	10	ChEMBL_1934133 (CHEMBL4479785)	Inhibition of full-length recombinant human GST-tagged TBK1 expressed in insect cells by Z'-LYTE assay
50010235	11	ChEMBL_1934024 (CHEMBL4479676)	Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate measured after 2 hrs by HTRF assay
50010235	12	ChEMBL_1934043 (CHEMBL4479695)	Inhibition of full-length recombinant human GST and His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system by LanthaScreen assay
50010235	13	ChEMBL_1934052 (CHEMBL4479704)	Inhibition of full-length recombinant human GST and His-tagged CDK5/P25 expressed in baculovirus expression system by Z'-LYTE assay
50010235	14	ChEMBL_1934062 (CHEMBL4479714)	Inhibition of full-length recombinant human GST-tagged DYRK1A expressed in baculovirus expression system by Z'-LYTE assay
50010235	15	ChEMBL_1934063 (CHEMBL4479715)	Inhibition of recombinant human His-tagged EGFR expressed in mammalian expression system by Z'-LYTE assay
50010235	16	ChEMBL_1934112 (CHEMBL4479764)	Inhibition of full-length recombinant human His-tagged PIM1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	17	ChEMBL_1934122 (CHEMBL4479774)	Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	18	ChEMBL_1934071 (CHEMBL4479723)	Inhibition of full-length recombinant human GST-tagged GRK6 expressed in baculovirus expression system by Z'-LYTE assay
50010235	19	ChEMBL_1934082 (CHEMBL4479734)	Inhibition of recombinant human GST-tagged cytoplasmic JAK1 (866 to 1154 residues) catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	20	ChEMBL_1934092 (CHEMBL4479744)	Inhibition of full-length recombinant human GST-tagged MAPK1 expressed in Escherichia coli by Z'-LYTE assay
50010235	21	ChEMBL_1934103 (CHEMBL4479755)	Inhibition of full-length recombinant human GST-tagged NEK4 expressed in baculovirus expression system by Z'-LYTE assay
50010235	22	ChEMBL_1934042 (CHEMBL4479694)	Inhibition of recombinant human GST-tagged ALK4 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	23	ChEMBL_1934073 (CHEMBL4479725)	Inhibition of full-length recombinant human His-tagged GSK3B expressed in baculovirus expression system by Z'-LYTE assay
50010235	24	ChEMBL_1934089 (CHEMBL4479741)	Inhibition of full-length recombinant human His-tagged MAP2K1 expressed in baculovirus expression system by LanthaScreen assay
50010235	25	ChEMBL_1934107 (CHEMBL4479759)	Inhibition of full-length recombinant human His-tagged NUAK1 expressed in baculovirus expression system by Adapta assay
50010235	26	ChEMBL_1934095 (CHEMBL4479747)	Inhibition of full-length recombinant human His-tagged MAPK8 expressed in baculovirus expression system by Z'-LYTE assay
50010235	27	ChEMBL_1934105 (CHEMBL4479757)	Inhibition of recombinant human His-tagged cytoplasmic NTRK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	28	ChEMBL_1934116 (CHEMBL4479768)	Inhibition of recombinant human His-tagged PRKACA catalytic domain expressed in Escherichia coli by Z'-LYTE assay
50010235	29	ChEMBL_1934125 (CHEMBL4479777)	Inhibition of full-length recombinant human GST-tagged RPS6KB1 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	30	ChEMBL_1934135 (CHEMBL4479787)	Inhibition of recombinant human N-terminal GST-tagged cytoplasmic TYK2 (833 to 1187 residues) catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	31	ChEMBL_1934065 (CHEMBL4479717)	Inhibition of recombinant human GST-tagged cytoplasmic EPHA8 expressed in baculovirus expression system by Z'-LYTE assay
50010235	32	ChEMBL_1934081 (CHEMBL4479733)	Inhibition of full-length recombinant human GST-tagged ITK expressed in baculovirus expression system by Z'-LYTE assay
50010235	33	ChEMBL_1934025 (CHEMBL4479677)	Inhibition of MARK4 in mouse cortical neurons assessed as inhibition of okadaic acid-induced tau phosphorylation at S262 residue preincubated for 15 mins followed okadaic acid challenge for 1.5 hrs by immunostaining method
50010235	34	ChEMBL_1934040 (CHEMBL4479692)	Inhibition of full-length recombinant human His-tagged AKT2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	35	ChEMBL_1934041 (CHEMBL4479693)	Inhibition of full-length recombinant human His-tagged AKT3 expressed in baculovirus expression system by Z'-LYTE assay
50010235	36	ChEMBL_1934046 (CHEMBL4479698)	Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system by Z'-LYTE assay
50010235	37	ChEMBL_1934047 (CHEMBL4479699)	Inhibition of full-length recombinant human GST-tagged BRAF expressed in baculovirus expression system by Z'-LYTE assay
50010235	38	ChEMBL_1934048 (CHEMBL4479700)	Inhibition of full-length recombinant human His-tagged BTK expressed in baculovirus expression system by Z'-LYTE assay
50010235	39	ChEMBL_1934051 (CHEMBL4479703)	Inhibition of full-length recombinant human His-tagged CDK2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	40	ChEMBL_1934053 (CHEMBL4479705)	Inhibition of full-length recombinant human His-tagged CDK7 expressed in baculovirus expression system by Adapta assay
50010235	41	ChEMBL_1934056 (CHEMBL4479708)	Inhibition of full-length recombinant human His-tagged CHEK2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	42	ChEMBL_1934057 (CHEMBL4479709)	Inhibition of recombinant human GST-tagged CLK2 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	43	ChEMBL_1934061 (CHEMBL4479713)	Inhibition of recombinant human GST-tagged DAPK1 catalytic domain expressed in baculovirus expression system by Adapta assay
50010235	44	ChEMBL_1934066 (CHEMBL4479718)	Inhibition of recombinant human GST-tagged cytoplasmic EPHB2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	45	ChEMBL_1934068 (CHEMBL4479720)	Inhibition of recombinant human His-tagged cytoplasmic FGFR2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	46	ChEMBL_1934069 (CHEMBL4479721)	Inhibition of recombinant human His-tagged cytoplasmic FLT3 expressed in baculovirus expression system by Z'-LYTE assay
50010235	47	ChEMBL_1934072 (CHEMBL4479724)	Inhibition of full-length human GST-tagged GSK3A expressed in baculovirus expression system by Z'-LYTE assay
50010235	48	ChEMBL_1934076 (CHEMBL4479728)	Inhibition of full-length recombinant human GST-tagged IKK-beta expressed in baculovirus expression system by Z'-LYTE assay
50010235	49	ChEMBL_1934077 (CHEMBL4479729)	Inhibition of full-length recombinant human GST-tagged IKK-epsilon expressed in baculovirus expression system by Z'-LYTE assay
50010235	50	ChEMBL_1934079 (CHEMBL4479731)	Inhibition of recombinant human GST-tagged IRAK1 (194 to 712 residues) catalytic domain expressed in baculovirus expression system by Adapta assay
50010235	51	ChEMBL_1934083 (CHEMBL4479735)	Inhibition of recombinant human GST-tagged cytoplasmic JAK2 (809 to 1153 residues) expressed in baculovirus expression system by Z'-LYTE assay
50010235	52	ChEMBL_1934084 (CHEMBL4479736)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	53	ChEMBL_1934087 (CHEMBL4479739)	Inhibition of full-length recombinant human His-tagged LCK expressed in baculovirus expression system by Z'-LYTE assay
50010235	54	ChEMBL_1934088 (CHEMBL4479740)	Inhibition of recombinant human GST-tagged LRRK2 catalytic domain expressed in baculovirus expression system by Adapta assay
50010235	55	ChEMBL_1934091 (CHEMBL4479743)	Inhibition of recombinant human GST-tagged MAP3K8 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	56	ChEMBL_1934080 (CHEMBL4479732)	Inhibition of full-length recombinant human His-tagged IRAK4 expressed in baculovirus expression system by Z'-LYTE assay
50010235	57	ChEMBL_1934086 (CHEMBL4479738)	Inhibition of recombinant human His-tagged cytoplasmic KIT expressed in baculovirus expression system by Z'-LYTE assay
50010235	58	ChEMBL_1934090 (CHEMBL4479742)	Inhibition of full-length recombinant human His-tagged MAP2K6 expressed in baculovirus expression system by Z'-LYTE assay
50010235	59	ChEMBL_1934094 (CHEMBL4479746)	Inhibition of full-length recombinant human GST-tagged MAPK14 alpha expressed in Escherichia coli by Z'-LYTE assay
50010235	60	ChEMBL_1934097 (CHEMBL4479749)	Inhibition of full-length recombinant human His-tagged MAPKAPK2 expressed in Escherichia coli by Z'-LYTE assay
50010235	61	ChEMBL_1934099 (CHEMBL4479751)	Inhibition of recombinant human N-terminal His-tagged cytoplasmic MET (956 to 1390 residues) expressed in baculovirus expression system by Z'-LYTE assay
50010235	62	ChEMBL_1934101 (CHEMBL4479753)	Inhibition of full-length recombinant human GST-tagged MST4 expressed in baculovirus expression system by Z'-LYTE assay
50010235	63	ChEMBL_1934104 (CHEMBL4479756)	Inhibition of full-length recombinant human GST-tagged NEK6 expressed in insect cells by Z'-LYTE assay
50010235	64	ChEMBL_1934108 (CHEMBL4479760)	Inhibition of full-length recombinant human GST-tagged PAK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	65	ChEMBL_1934109 (CHEMBL4479761)	Inhibition of recombinant human GST-tagged PASK catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	66	ChEMBL_1934111 (CHEMBL4479763)	Inhibition of full-length recombinant human His-tagged PIK3P110D/P85A expressed in baculovirus expression system by Adapta assay
50010235	67	ChEMBL_1934117 (CHEMBL4479769)	Inhibition of full-length recombinant human His-tagged PRKCI expressed in baculovirus expression system by Z'-LYTE assay
50010235	68	ChEMBL_1934118 (CHEMBL4479770)	Inhibition of full-length recombinant human His-tagged PRKCQ expressed in baculovirus expression system by Z'-LYTE assay
50010235	69	ChEMBL_1934120 (CHEMBL4479772)	Inhibition of full-length recombinant human His-tagged PTK6 expressed in baculovirus expression system by Z'-LYTE assay
50010235	70	ChEMBL_1934121 (CHEMBL4479773)	Inhibition of recombinant human GST-tagged RAF1 Y340D/Y341D mutant expressed in baculovirus expression system by Z'-LYTE assay
50010235	71	ChEMBL_1934127 (CHEMBL4479779)	Inhibition of full-length recombinant human GST-tagged SPHK1 by Z'-LYTE assay
50010235	72	ChEMBL_1934128 (CHEMBL4479780)	Inhibition of full-length recombinant human His-tagged SRC expressed in baculovirus expression system by Adapta assay
50010235	73	ChEMBL_1934130 (CHEMBL4479782)	Inhibition of full-length recombinant human His-tagged STK22D expressed in baculovirus expression system by Z'-LYTE assay
50010235	74	ChEMBL_1934132 (CHEMBL4479784)	Inhibition of recombinant human GST-tagged TAOK2 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	75	ChEMBL_1934136 (CHEMBL4479788)	Inhibition of full-length recombinant human His-tagged cytoplasmic ZAP70 expressed in baculovirus expression system by Z'-LYTE assay
50010235	76	ChEMBL_1934037 (CHEMBL4479689)	Inhibition of full-length human His-tagged ABL1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	77	ChEMBL_1934049 (CHEMBL4479701)	Inhibition of full-length recombinant human GST-tagged CAMK4 expressed in Escherichia coli by Z'-LYTE assay
50010235	78	ChEMBL_1934058 (CHEMBL4479710)	Inhibition of recombinant human His-tagged cytoplasmic CSF1R expressed in baculovirus expression system by Z'-LYTE assay
50010235	79	ChEMBL_1934059 (CHEMBL4479711)	Inhibition of recombinant human GST-tagged cytoplasmic CSNK1A1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	80	ChEMBL_1934067 (CHEMBL4479719)	Inhibition of recombinant human His-tagged cytoplasmic ERBB2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	81	ChEMBL_1934070 (CHEMBL4479722)	Inhibition of full-length recombinant human GST-tagged GRK4 expressed in baculovirus expression system by Z'-LYTE assay
50010235	82	ChEMBL_1934078 (CHEMBL4479730)	Inhibition of recombinant human GST-tagged cytoplasmic INSR (1011 to 1382 residues) expressed in baculovirus expression system by Z'-LYTE assay
50010235	83	ChEMBL_1934096 (CHEMBL4479748)	Inhibition of full-length recombinant human His-tagged MAPK9 expressed in baculovirus expression system by Z'-LYTE assay
50010235	84	ChEMBL_1934100 (CHEMBL4479752)	Inhibition of recombinant human His-tagged MINK1 catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	85	ChEMBL_1934102 (CHEMBL4479754)	Inhibition of full-length recombinant human His-tagged NEK2 expressed in baculovirus expression system by Z'-LYTE assay
50010235	86	ChEMBL_1934110 (CHEMBL4479762)	Inhibition of full-length recombinant human His-tagged PDK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	87	ChEMBL_1934114 (CHEMBL4479766)	Inhibition of full-length recombinant human GST-tagged PKN1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	88	ChEMBL_1934119 (CHEMBL4479771)	Inhibition of full-length recombinant human PRKCZ expressed in baculovirus expression system by Z'-LYTE assay
50010235	89	ChEMBL_1934126 (CHEMBL4479778)	Inhibition of recombinant human GST-tagged SGK catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	90	ChEMBL_1934131 (CHEMBL4479783)	Inhibition of full-length recombinant human N-terminal GST-tagged cytoplasmic SYK expressed in baculovirus expression system by Z'-LYTE assay
50010235	91	ChEMBL_1934093 (CHEMBL4479745)	Inhibition of full-length recombinant human His-tagged MAPK13 expressed in baculovirus expression system by Z'-LYTE assay
50010235	92	ChEMBL_1934123 (CHEMBL4479775)	Inhibition of recombinant human N-terminal GST-tagged ROCK2 (1 to 552 residues) catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	93	ChEMBL_1934039 (CHEMBL4479691)	Inhibition of full-length recombinant human His-tagged AKT1-alpha expressed in baculovirus expression system by Z'-LYTE assay
50010235	94	ChEMBL_1934134 (CHEMBL4479786)	Inhibition of recombinant human GST-tagged cytoplasmic TEK expressed in baculovirus expression system by Z'-LYTE assay
50010235	95	ChEMBL_1934038 (CHEMBL4479690)	Inhibition of full-length recombinant human His-tagged ADRBK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	96	ChEMBL_1934050 (CHEMBL4479702)	Inhibition of recombinant human His-tagged CDC42BPA catalytic domain expressed in baculovirus expression system by Z'-LYTE assay
50010235	97	ChEMBL_1934060 (CHEMBL4479712)	Inhibition of full-length recombinant human His-tagged CSNK2A1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	98	ChEMBL_1934074 (CHEMBL4479726)	Inhibition of full-length human N-terminal GST-tagged HCK expressed in baculovirus expression system by Z'-LYTE assay
50010235	99	ChEMBL_1934129 (CHEMBL4479781)	Inhibition of full-length recombinant human His-tagged SRPK1 expressed in baculovirus expression system by Z'-LYTE assay
50010235	100	ChEMBL_1934054 (CHEMBL4479706)	Inhibition of full-length recombinant human His-tagged CDK9/cyclin T1 expressed in baculovirus expression system by Adapta assay
50010237	1	ChEMBL_1934139 (CHEMBL4479791)	Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated for 10 mins by FLIPR assay
50010237	2	ChEMBL_1934141 (CHEMBL4479793)	Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis
50010237	3	ChEMBL_1934138 (CHEMBL4479790)	Agonist activity at human mGluR5A transfected in HEK293 cells assessed as induction of calcium release by FLIPR assay
50010237	4	ChEMBL_1934148 (CHEMBL4479800)	Negative allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as inhibition of L-glutamate-induced calcium release after 10 mins by FLIPR assay
50010237	5	ChEMBL_1934145 (CHEMBL4479797)	Displacement of [3H]-MPEP from human mGluR5A transfected in HEK293 cells after 60 mins by microbeta liquid scintillation counting analysis
50010238	1	ChEMBL_1934269 (CHEMBL4479921)	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cells incubated for 3 hrs by scintillation counting analysis
50010238	2	ChEMBL_1934272 (CHEMBL4479924)	Displacement of N-alpha-[methyl-3H]methylhistamine dihydrochloride from human recombinant histamine H3 receptor expressed in CHO-K1 cells incubated for 30 mins by liquid scintillation counting analysis
50010238	3	ChEMBL_1934270 (CHEMBL4479922)	Displacement of [3H]raclopride from human recombinant dopamine D3 receptor expressed in CHO-K1 cells incubated for 120 mins by liquid scintillation counting analysis
50010238	4	ChEMBL_1934271 (CHEMBL4479923)	Displacement of [3H]raclopride from human recombinant dopamine D2 long receptor expressed in CHO-K1 cells incubated for 120 mins by scintillation counting analysis
50010239	1	ChEMBL_1934350 (CHEMBL4480002)	Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells in presence of N-carbamyl-L-aspartate by surface plasmon resonance analysis
50010239	2	ChEMBL_1934349 (CHEMBL4480001)	Binding affinity to Bacillus anthracis Sterne His-tagged DHOase expressed in Escherichia coli BL21(DE3) Gold cells by surface plasmon resonance analysis
50010241	1	ChEMBL_1934362 (CHEMBL4480014)	Inhibition of human ERG channel by automated patch clamp assay
50010243	1	ChEMBL_1934378 (CHEMBL4480030)	Inhibition of HIV-1 reverse transcriptase assessed as reduction in biotin-duTP incorporation using biotin-labeled dUTP and hybrid poly(A)-oligo (dT)15 template primer after 2 hrs by ELISA
50010244	1	ChEMBL_1934443 (CHEMBL4480095)	Inhibition of full length human ERalpha expressed in human HEC1 cells in presence of estradiol by luciferase reporter gene assay
50010244	2	ChEMBL_1934451 (CHEMBL4480103)	Binding affinity to N-terminal His6-tagged human PPARgamma (205 to 477 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance assay
50010244	3	ChEMBL_1934450 (CHEMBL4480102)	Binding affinity to human GST-tagged RXRalpha ligand binding domain (223 to 462 residues) expressed in Escherichia coli BL21 assessed as inhibition of 9-cis-RA-induced coactivator recruitment by TR-FRET assay
50010244	4	ChEMBL_1934447 (CHEMBL4480099)	Displacement of fluorescein-labeled PGC1alpha peptide from human GST-tagged ERalpha LBD after 2 hrs in presence of estradiol-beta by TR-FRET assay
50010244	5	ChEMBL_1934445 (CHEMBL4480097)	Displacement of 5-FAM-labeled NBM131 from human PPARgamma ligand binding domain expressed in human HepG2 cells by fluorescence polarization assay
50010244	6	ChEMBL_1934444 (CHEMBL4480096)	Displacement of 5-FAM-labeled NBM131 from human PPARalpha ligand binding domain expressed in human HepG2 cells by fluorescence polarization assay
50010244	7	ChEMBL_1934452 (CHEMBL4480104)	Binding affinity to human 6xHis-tagged PPARgamma ligand binding domain (206 to 477 residues) by TR-FRET assay
50010244	8	ChEMBL_1934449 (CHEMBL4480101)	Inhibition of AR transcriptional activity in human ARR2PB-eGFP expressing LNCaP cells after 3 days by fluorescence assay
50010244	9	ChEMBL_1934446 (CHEMBL4480098)	Displacement of europium-labeled SRC1 peptide from full length human recombinant ERalpha expressed in baculovirus expression system after 1.5 hrs in presence of estradiol-beta by TR-FRET assay
50010245	1	ChEMBL_1934518 (CHEMBL4480170)	Inhibition of porcine brain tubulin polymerization measured at 1 min interval for 1 hr by fluorescence plate reader assay
50010247	1	ChEMBL_1934534 (CHEMBL4480186)	Inhibition of VEGFR2 (unknown origin)
50010247	2	ChEMBL_1934529 (CHEMBL4480181)	Inhibition of recombinant full length human N-terminal GST-tagged C-terminal His6-tagged MEK1 expressed in Escherichia coli using myelin basic protein as substrate in presence of activated BRAF and ERK2 by ELISA
50010247	3	ChEMBL_1934530 (CHEMBL4480182)	Inhibition of MEK1 in BRAF mutant human A549 cells assessed as reduction in ERK1/2 phosphorylation by ELISA
50010247	4	ChEMBL_1934531 (CHEMBL4480183)	Inhibition of EGFR (unknown origin)
50010247	5	ChEMBL_1934524 (CHEMBL4480176)	Inhibition of Aurora A (unknown origin)
50010247	6	ChEMBL_1934532 (CHEMBL4480184)	Inhibition of FAK in human MCF7 cells
50010247	7	ChEMBL_1934533 (CHEMBL4480185)	Inhibition of HER2 (unknown origin)
50010249	1	ChEMBL_1934544 (CHEMBL4480196)	Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luciferase reporter gene assay
50010249	2	ChEMBL_1934537 (CHEMBL4480189)	Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assay
50010249	3	ChEMBL_1934543 (CHEMBL4480195)	Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luciferase reporter gene assay
50010249	4	ChEMBL_1934545 (CHEMBL4480197)	Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luciferase reporter gene assay
50010250	1	ChEMBL_1934558 (CHEMBL4480210)	Mixed-type reversible inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate by Lineweaver-Burk double reciprocal-plot analysis
50010250	2	ChEMBL_1934559 (CHEMBL4480211)	Mixed-type reversible inhibition of diphenolase activity of mushroom tyrosinase assessed as enzyme-substrate complex using L-DOPA as substrate by Lineweaver-Burk double reciprocal plot analysis
50010250	3	ChEMBL_1934557 (CHEMBL4480209)	Inhibition of diphenolase activity of mushroom tyrosinase using L-DOPA as substrate by spectrophotometric analysis
50010251	1	ChEMBL_1934602 (CHEMBL4480254)	Inhibition of N-terminal His6-tagged human SETD8 (191 to 352 residues) expressed in Escherichia coli Rosseta-2(DE3) cells using histone peptide substrate preincubated for 10 mins followed by substrate addition in presence of [3H-Me]SAM by liquid scintillation counting method
50010251	2	ChEMBL_1934575 (CHEMBL4480227)	Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate in presence of [3H-Me]SAM by scintillation proximity assay
50010251	3	ChEMBL_1934601 (CHEMBL4480253)	Inhibition of SETD8 (unknown origin) using biotin-labeled histone H4 (1 to 24 residues) as substrate incubated for 1 hr in presence of [3H-Me]SAM by scintillation proximity assay
50010251	4	ChEMBL_1934603 (CHEMBL4480255)	Inhibition of SETD8 in HEK293T cells assessed as reduction in H4K20me level after 2 to 3 days by Western blot analysis
50010253	1	ChEMBL_1934606 (CHEMBL4480258)	Inhibition of PI3Kalpha (unknown origin) assessed as reduction in ATP depletion using lipid substrate after 40 mins by Kinase-Glo luminescent assay
50010253	2	ChEMBL_1934609 (CHEMBL4480261)	Inhibition of PI3Kgamma (unknown origin) assessed as reduction in ATP depletion using lipid substrate after 40 mins by Kinase-Glo luminescent assay
50010253	3	ChEMBL_1934608 (CHEMBL4480260)	Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ATP depletion using lipid substrate after 40 mins by Kinase-Glo luminescent assay
50010253	4	ChEMBL_1934607 (CHEMBL4480259)	Inhibition of PI3Kbeta (unknown origin) assessed as reduction in ATP depletion using lipid substrate after 40 mins by Kinase-Glo luminescent assay
50010254	1	ChEMBL_1934643 (CHEMBL4480295)	Displacement of biotinylated tetra-acetylated histone H4 peptide from GST-tagged BRD4-BD1 (44 to 168 residues) (unknown origin) measured after 30 mins by AlphaScreen assay
50010255	1	ChEMBL_1934647 (CHEMBL4480299)	Inhibition of DOT1L in human HeLa cells assessed as reduction in H3K79me2 level after 72 hrs by ELISA
50010255	2	ChEMBL_1934645 (CHEMBL4480297)	Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate addition in presence of [3H-Me]SAM by scintillation proximity assay
50010255	3	ChEMBL_1934648 (CHEMBL4480300)	Inhibition of DOT1L in human MOLM13 cells assessed as suppression of HoxA9 gene after 72 hrs by luciferase reporter gene assay
50010256	1	ChEMBL_1934661 (CHEMBL4480313)	Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50010256	2	ChEMBL_1934663 (CHEMBL4480315)	Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay
50010256	3	ChEMBL_1934676 (CHEMBL4480328)	Inhibition of caspase8 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	4	ChEMBL_1934681 (CHEMBL4480333)	Inhibition of ACE (unknown origin) using Mca-RPPGFSAFK (Dnp) as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	5	ChEMBL_1934685 (CHEMBL4480337)	Inhibition of MMP9 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	6	ChEMBL_1934670 (CHEMBL4480322)	Inhibition of tryptase beta2 (unknown origin) using Z-GPR-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	7	ChEMBL_1934673 (CHEMBL4480325)	Inhibition of caspase2 (unknown origin) using ICH-1 as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	8	ChEMBL_1934668 (CHEMBL4480320)	Inhibition of recombinant human cathepsin D (400 residues) expressed in CHO cells using 5-FAM/QXL 520 FRET peptide as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	9	ChEMBL_1934669 (CHEMBL4480321)	Inhibition of cathepsin G (unknown origin) using Suc-AAPF-pNA as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	10	ChEMBL_1934672 (CHEMBL4480324)	Inhibition of neutrophil elastase (unknown origin) using MeOSu-AAPV-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	11	ChEMBL_1934671 (CHEMBL4480323)	Inhibition of 20S proteasome (unknown origin) using suc-LLVY-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	12	ChEMBL_1934674 (CHEMBL4480326)	Inhibition of caspase3 (unknown origin) using Ac-DMQD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	13	ChEMBL_1934675 (CHEMBL4480327)	Inhibition of caspase7 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	14	ChEMBL_1934677 (CHEMBL4480329)	Inhibition of caspase9 (unknown origin) using Ac-LEHD-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	15	ChEMBL_1934678 (CHEMBL4480330)	Inhibition of recombinant human cathepsin B (332 residues) expressed in CHO cells using Z-FR-AMC as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	16	ChEMBL_1934680 (CHEMBL4480332)	Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	17	ChEMBL_1934682 (CHEMBL4480334)	Inhibition of ECE1 (unknown origin) using Mca-RPPGFSAFK (Dnp) as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	18	ChEMBL_1934683 (CHEMBL4480335)	Inhibition of MMP1 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	19	ChEMBL_1934679 (CHEMBL4480331)	Inhibition of ATG4B (unknown origin) using LC3B-GST as substrate preincubated for 24 hrs followed by substrate addition measured after 3 mins by SDS-PAGE method
50010256	20	ChEMBL_1934684 (CHEMBL4480336)	Inhibition of MMP3 (unknown origin) using Mca-PLGL-Dpa-AR as substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader analysis
50010256	21	ChEMBL_1934686 (CHEMBL4480338)	Inhibition of full length N-terminal His6-tagged ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) cells using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET assay
50010257	1	ChEMBL_1934687 (CHEMBL4480339)	Inhibition of recombinant human aromatase using 7-methoxy-trifluoromethylcoumarin as substrate incubated for 30 mins by fluorescence microplate reader analysis
50010258	1	ChEMBL_1934688 (CHEMBL4480340)	Displacement of ovine [125I-Tyr0]-CRF from human CRF1 receptor expressed in CHO cell membrane measured after 1.5 hrs by TopCount method
50010258	2	ChEMBL_1934689 (CHEMBL4480341)	Antagonist activity at human CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-stimulated adenylate cyclase activity measured after 4 hrs by Steady-Glo luciferase assay
50010259	1	ChEMBL_1935007 (CHEMBL4480766)	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis
50010259	2	ChEMBL_1935006 (CHEMBL4480765)	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by beta-counting analysis
50010259	3	ChEMBL_1935010 (CHEMBL4480769)	Agonist activity at human CB2 receptor expressed in CHO cell membranes assessed as [35S]GTPgammaS binding after 1 hr by beta-counting analysis
50010259	4	ChEMBL_1935005 (CHEMBL4480764)	Agonist activity at human CB1 receptor
50010259	5	ChEMBL_1935004 (CHEMBL4480763)	Agonist activity at human CB2 receptor
50010261	1	ChEMBL_1935116 (CHEMBL4480875)	Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA
50010263	1	ChEMBL_1935201 (CHEMBL4480960)	Inhibition of CDK2/cyclin A2 (unknown origin)
50010263	2	ChEMBL_1935145 (CHEMBL4480904)	Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF as substrate measured after 1 hr by ADP-glo luminescence assay
50010263	3	ChEMBL_1935147 (CHEMBL4480906)	Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells using RBCTF as substrate measured after 1 hr by ADP-glo luminescence assay
50010263	4	ChEMBL_1935149 (CHEMBL4480908)	Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay
50010263	5	ChEMBL_1935151 (CHEMBL4480910)	Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assay
50010263	6	ChEMBL_1935146 (CHEMBL4480905)	Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 cells using histone H1 as substrate measured after 1 hr by ADP-glo luminescence assay
50010263	7	ChEMBL_1935148 (CHEMBL4480907)	Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K726 residues) expressed in Sf9 cells using RBCTF as substrate measured after 1 hr by ADP-glo luminescence assay
50010263	8	ChEMBL_1935150 (CHEMBL4480909)	Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay
50010263	9	ChEMBL_1935152 (CHEMBL4480911)	Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay
50010263	10	ChEMBL_1935200 (CHEMBL4480959)	Inhibition of CDK4/cyclin D1 (unknown origin)
50010263	11	ChEMBL_1935202 (CHEMBL4480961)	Inhibition of CDK1/cyclin B1 (unknown origin)
50010263	12	ChEMBL_1935204 (CHEMBL4480963)	Inhibition of CDK6/cyclin D1 (unknown origin)
50010265	1	ChEMBL_1935269 (CHEMBL4481028)	Inhibition of human recombinant PARP2 by ELISA
50010265	2	ChEMBL_1935259 (CHEMBL4481018)	Inhibition of PARP1 (unknown origin) by NAD+ based assay
50010265	3	ChEMBL_1935252 (CHEMBL4481011)	Inhibition of PARP2 (unknown origin) by biotinylated NAD+-based luminescence assay
50010265	4	ChEMBL_1935245 (CHEMBL4481004)	Inhibition of PARP1 (unknown origin)
50010265	5	ChEMBL_1935265 (CHEMBL4481024)	Inhibition of human recombinant TNKS2 by chemiluminescence assay
50010265	6	ChEMBL_1935258 (CHEMBL4481017)	Inhibition of PARP1 (unknown origin) by colorimetric analysis
50010265	7	ChEMBL_1935246 (CHEMBL4481005)	Inhibition of human recombinant full-length PARP1 after 4 mins by [32P]NAD+ incorporation assay
50010265	8	ChEMBL_1935271 (CHEMBL4481030)	Inhibition of PARP1 (unknown origin) using Strep-HRP as substrate preincubated for 60 mins followed by compound wash and substrate addition and measured after 60 mins by ELISA
50010265	9	ChEMBL_1935272 (CHEMBL4481031)	Inhibition of PARP2 (unknown origin)
50010265	10	ChEMBL_1935267 (CHEMBL4481026)	Inhibition of PARP2 (unknown origin) using histone as substrate after 1 hr by ELISA
50010265	11	ChEMBL_1935266 (CHEMBL4481025)	Inhibition of PARP1 (unknown origin) using histone as substrate after 1 hr by ELISA
50010265	12	ChEMBL_1935263 (CHEMBL4481022)	Inhibition of mouse recombinant PARP2 by chemiluminescence assay
50010265	13	ChEMBL_1935262 (CHEMBL4481021)	Inhibition of human recombinant PARP1 by chemiluminescence assay
50010265	14	ChEMBL_1935260 (CHEMBL4481019)	Inhibition of recombinant human PARP2 using histone as substrate after 1 hr in presence of NAD+ by ELISA
50010265	15	ChEMBL_1935251 (CHEMBL4481010)	Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of NAD+ by ELISA
50010265	16	ChEMBL_1935257 (CHEMBL4481016)	Inhibition of human recombinant PARP1 using radiolabeled [3H]substrate after 1 mins by scintillation counting analysis
50010265	17	ChEMBL_1935250 (CHEMBL4481009)	Inhibition of PARP1 (unknown origin) using HRP as substrate preincubated for 60 mins followed by compound wash and substrate addition and measured after 60 mins by chemiluminescence assay
50010265	18	ChEMBL_1935248 (CHEMBL4481007)	Inhibition of PARP1 (unknown origin) after 1 min in presence of NAD by top count analysis
50010265	19	ChEMBL_1935264 (CHEMBL4481023)	Inhibition of human recombinant TNKS1 by chemiluminescence assay
50010265	20	ChEMBL_1935249 (CHEMBL4481008)	Inhibition of PARP2 (unknown origin) after 1 min in presence of NAD by top count analysis
50010265	21	ChEMBL_1935268 (CHEMBL4481027)	Inhibition of human recombinant PARP1 by ELISA
50010266	1	ChEMBL_1935273 (CHEMBL4481032)	Inhibition of human recombinant HPPD expressed in Escherichia coli BL21 (DE3) assessed as effect on maleylacetoacetate formation incubated for 10 mins by human HGD coupled enzyme assay
50010267	1	ChEMBL_1935276 (CHEMBL4481035)	Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay
50010267	2	ChEMBL_1935275 (CHEMBL4481034)	Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain membranes after 120 mins by radioligand binding assay
50010267	3	ChEMBL_1935282 (CHEMBL4481041)	Displacement of [3H]paroxetine from serotonin transporter in rat brainstem membranes after 120 mins by radioligand binding assay
50010267	4	ChEMBL_1935281 (CHEMBL4481040)	Displacement of [3H]WIN 35428 from dopamine transporter in rat striatal membranes after 120 mins by radioligand binding assay
50010267	5	ChEMBL_1935278 (CHEMBL4481037)	Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain membranes after 120 mins by radioligand binding assay
50010267	6	ChEMBL_1935284 (CHEMBL4481043)	Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain membranes after 120 mins by radioligand binding assay
50010267	7	ChEMBL_1935286 (CHEMBL4481045)	Displacement of [3H]bremazocine from opioid receptor in rat brain membranes after 120 mins by radioligand binding assay
50010268	1	ChEMBL_1935288 (CHEMBL4481047)	Inhibition of BRD4 (unknown origin) measured after 2 hrs by TR-FRET assay
50010270	1	ChEMBL_1935334 (CHEMBL4481093)	Binding affinity to DPP4 (unknown origin) expressed in baculovirus expressing system
50010270	2	ChEMBL_1935376 (CHEMBL4481135)	Inhibition of human ERG by patch clamp assay
50010271	1	ChEMBL_1935387 (CHEMBL4481146)	Binding affinity to recombinant FABP4 (unknown origin) expressed in Escherichia coli by sypro orange dye-based TdF assay
50010271	2	ChEMBL_1935396 (CHEMBL4481155)	Inhibition of human DHODH expressed in Escherichia coli by DCIP staining-based spectrophotometric analysis
50010271	3	ChEMBL_1935409 (CHEMBL4481168)	Inhibition of Electrophorus electricus AChE by Ellman's method
50010273	1	ChEMBL_1935411 (CHEMBL4481170)	Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay
50010273	2	ChEMBL_1935412 (CHEMBL4481171)	Antagonist activity at mouse EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay
50010274	1	ChEMBL_1935470 (CHEMBL4481229)	Inhibition of recombinant human GlyT1b expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp electrophysiology
50010274	2	ChEMBL_1935471 (CHEMBL4481230)	Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes assessed as reduction in channel current by two-electrode voltage clamp electrophysiology
50010274	3	ChEMBL_1935501 (CHEMBL4481260)	Reversible non-competitive inhibition of human GlyT2a expressed in Xenopus laevis oocytes by two-electrode voltage clamp electrophysiology
50010274	4	ChEMBL_1935500 (CHEMBL4481259)	Reversible inhibition of recombinant human GlyT2 expressed in HEK293 cells assessed as reduction in [3H]-glycine uptake after 2 hrs by top count assay
50010274	5	ChEMBL_1935504 (CHEMBL4481263)	Inhibition of full length human GlyT2 expressed in FreeStyle 293-F suspension cells incubated for 30 mins before [3H]glycine addition and measured after 30 mins by liquid scintillation counting method
50010274	6	ChEMBL_1935499 (CHEMBL4481258)	Inhibition of recombinant human GlyT2
50010278	1	ChEMBL_1935574 (CHEMBL4481333)	Inhibition of human DDX1 helicase activity
50010278	2	ChEMBL_1935573 (CHEMBL4481332)	Inhibition of human DDX3X ATPase activity using DDX3 as substrate by ADP-Glo kinase assay
50010280	1	ChEMBL_1935622 (CHEMBL4481381)	Inhibition of human GGPPS
50010280	2	ChEMBL_1935623 (CHEMBL4481382)	Inhibition of human FPPS using IPP and GPP
50010280	3	ChEMBL_1935621 (CHEMBL4481380)	Inhibition of human FPPS using IPP and GPP as substrate
50010280	4	ChEMBL_1935630 (CHEMBL4481389)	Inhibition of Escherichia coli UPPS in presence of IPP and FPP
50010281	1	ChEMBL_1935686 (CHEMBL4481445)	Binding affinity to human SSTR2 expressed in CHO-K1 cells assessed as induction of SSTR2 internalization after 4 hrs by chemiluminescent assay
50010281	2	ChEMBL_1935696 (CHEMBL4481455)	Displacement of [125I]somatostatin from human SSTR1 expressed in CHO-K1 cell membranes after 120 mins
50010281	3	ChEMBL_1935684 (CHEMBL4481443)	Displacement of [125I]somatostatin from human SSTR2 expressed in CHO-K1 cell membranes after 240 mins
50010281	4	ChEMBL_1935697 (CHEMBL4481456)	Displacement of [125I]somatostatin from human SSTR3 expressed in CHO-K1 cell membranes after 120 mins
50010281	5	ChEMBL_1935698 (CHEMBL4481457)	Displacement of [125I]somatostatin from human SSTR4 expressed in CHO-K1 cell membranes after 120 mins
50010281	6	ChEMBL_1935699 (CHEMBL4481458)	Displacement of [125I]somatostatin from human SSTR5 expressed in CHO-K1 cell membranes after 120 mins
50010282	1	ChEMBL_1935715 (CHEMBL4481474)	Full agonist activity at mouse MC5R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP assay
50010282	2	ChEMBL_1935714 (CHEMBL4481473)	Full agonist activity at mouse MC1R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP assay
50010282	3	ChEMBL_1935710 (CHEMBL4481469)	Agonist activity at mouse MC4R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP assay
50010282	4	ChEMBL_1935709 (CHEMBL4481468)	Agonist activity at mouse MC3R expressed in HEK293 cells co-expressing CRE/beta-galactosidase reporter gene after 6 hrs by beta-galactosidase cAMP assay
50010283	1	ChEMBL_1935725 (CHEMBL4481484)	Antagonist activity at human alpha1beta2gamma2S GABA(A) receptor expressed in human tsA201 cells assessed as inhibition of GABA-induced membrane potential after 16 to 24 hrs by FMP-blue assay
50010284	1	ChEMBL_1935742 (CHEMBL4481501)	Binding affinity to biotinylated full length human NLK expressed in Escherichia coli incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based competitive ligand binding displacement assay
50010284	2	ChEMBL_1935741 (CHEMBL4481500)	Binding affinity to biotinylated full length human ADCK3 expressed in Escherichia coli incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based competitive ligand binding displacement assay
50010284	3	ChEMBL_1935740 (CHEMBL4481499)	Binding affinity to biotinylated human RIPK2 (1 to 310 residues) expressed in Escherichia coli incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based competitive ligand binding displacement assay
50010284	4	ChEMBL_1935748 (CHEMBL4481507)	Binding affinity to C-terminal AVI-tagged AAK1 (unknown origin) (31 to 396 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay
50010284	5	ChEMBL_1935739 (CHEMBL4481498)	Binding affinity to biotinylated human GAK (13 to 338 residues) expressed in Escherichia coli incubated for 1.5 hrs by fluorescent tracer dependent TR-FRET based competitive ligand binding displacement assay
50010284	6	ChEMBL_1935751 (CHEMBL4481510)	Displacement of fluorescent tracer from N-terminus of human GAK expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay
50010284	7	ChEMBL_1935754 (CHEMBL4481513)	Binding affinity to human IRAK3 (147 to 596 residues) expressed in bacterial expression system by KINOMEscan assay
50010284	8	ChEMBL_1935747 (CHEMBL4481506)	Binding affinity to C-terminal AVI-tagged GAK (unknown origin) (12 to 347 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay
50010284	9	ChEMBL_1935749 (CHEMBL4481508)	Binding affinity to C-terminal AVI-tagged BMP2K (unknown origin) (38 to 345 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay
50010284	10	ChEMBL_1935750 (CHEMBL4481509)	Binding affinity to C-terminal AVI-tagged STK16 (unknown origin) (13 to 305 residues) expressed in Escherichia coli after 1.5 hrs by TR-FRET assay
50010284	11	ChEMBL_1935752 (CHEMBL4481511)	Displacement of fluorescent tracer from N-terminus of human RIPK2 expressed in HEK293T cells after 2 hrs by NanoBRET target engagement assay
50010284	12	ChEMBL_1935762 (CHEMBL4481521)	Binding affinity to GAK (unknown origin) by ITC assay
50010284	13	ChEMBL_1935763 (CHEMBL4481522)	Binding affinity to GAK (unknown origin)
50010286	1	ChEMBL_1935778 (CHEMBL4481537)	Inhibition of wild type EGFR (unknown origin) by HTRF assay
50010286	2	ChEMBL_1935779 (CHEMBL4481538)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) by HTRF assay
50010288	1	ChEMBL_1935804 (CHEMBL4481563)	Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assay
50010288	2	ChEMBL_1935815 (CHEMBL4481574)	Time-dependent inhibition of human CYP3A4 using midazolam as substrate
50010288	3	ChEMBL_1935810 (CHEMBL4481569)	Inhibition of GAL4-fused human RORalpha transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assay
50010288	4	ChEMBL_1935814 (CHEMBL4481573)	Inhibition of GAL4-fused human PPARgamma transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assay
50010288	5	ChEMBL_1935817 (CHEMBL4481576)	Time-dependent inhibition of human CYP2C9
50010288	6	ChEMBL_1935818 (CHEMBL4481577)	Time-dependent inhibition of human CYP2D6
50010288	7	ChEMBL_1935820 (CHEMBL4481579)	Time-dependent inhibition of human CYP2C19
50010288	8	ChEMBL_1935819 (CHEMBL4481578)	Time-dependent inhibition of human CYP1A2
50010288	9	ChEMBL_1935813 (CHEMBL4481572)	Inhibition of GAL4-fused human PPARdelta transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assay
50010288	10	ChEMBL_1935812 (CHEMBL4481571)	Inhibition of GAL4-fused human RXR transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assay
50010288	11	ChEMBL_1935816 (CHEMBL4481575)	Time-dependent inhibition of human CYP3A4 using testosterone as substrate
50010290	1	ChEMBL_1935870 (CHEMBL4481629)	Inhibition of myostatin (unknown origin) expressed in HEK293 cells after 4 hrs by dual luciferase reporter gene assay
50010292	1	ChEMBL_1935922 (CHEMBL4481681)	Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA
50010294	1	ChEMBL_1935934 (CHEMBL4481693)	Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis
50010296	1	ChEMBL_1935950 (CHEMBL4481709)	Inhibition of CYP3A4 (unknown origin)
50010296	2	ChEMBL_1935939 (CHEMBL4481698)	Inhibition of human ERG by manual patch clamp electrophysiology assay
50010297	1	ChEMBL_1935952 (CHEMBL4481711)	Displacement of [3H]-histamine from recombinant human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2/Gbeta1gamma2
50010297	2	ChEMBL_1935953 (CHEMBL4481712)	Antagonist activity at recombinant human H4 receptor expressed in CHOK1 cells co-expressing Galpha16/aequorin assessed as inhibition of histamine-induced intracellular calcium flux preincubated for 30 mins followed by histamine addition and measured for 30 secs in presence of coelenterazine by luminescence assay
50010301	1	ChEMBL_1935994 (CHEMBL4481753)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate after 5 mins by spectrophotometric analysis
50010303	1	ChEMBL_1935998 (CHEMBL4481757)	Inhibition of CYP3A4 (unknown origin)
50010303	2	ChEMBL_1935999 (CHEMBL4481758)	Inhibition of human ERG
50010304	1	ChEMBL_1936020 (CHEMBL4481779)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 45 mins by horseradish peroxidase-Amplex Red-coupled fluorometric assay
50010304	2	ChEMBL_1936018 (CHEMBL4481777)	Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells
50010304	3	ChEMBL_1936010 (CHEMBL4481769)	Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells
50010304	4	ChEMBL_1936012 (CHEMBL4481771)	Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes
50010304	5	ChEMBL_1936013 (CHEMBL4481772)	Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells
50010304	6	ChEMBL_1936021 (CHEMBL4481780)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 45 mins by horseradish peroxidase-Amplex Red-coupled fluorometric assay
50010304	7	ChEMBL_1936016 (CHEMBL4481775)	Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells
50010304	8	ChEMBL_1936015 (CHEMBL4481774)	Displacement of [3H]CCPA from rat adenosine A2a receptor
50010305	1	ChEMBL_1936045 (CHEMBL4481804)	Inhibition of ROCK1 (unknown origin) using STK2 as substrate measured after 4 hrs by HTRF assay
50010305	2	ChEMBL_1936046 (CHEMBL4481805)	Inhibition of ROCK2 (unknown origin) using STK2 as substrate measured after 4 hrs by HTRF assay
50010309	1	ChEMBL_1936054 (CHEMBL4481813)	Binding affinity to human GST-fused p300 CH1 domain (323 to 423 residues) under hypoxic condition by SPR assay
50010309	2	ChEMBL_1936049 (CHEMBL4481808)	Inhibition of HIF-1 dimerization in HEK293 cells after 24 hrs by renilla luciferase reporter gene assay
50010309	3	ChEMBL_1936048 (CHEMBL4481807)	Binding affinity to p300 CH1 domain (unknown origin) by tryptophan fluorescence assay
50010309	4	ChEMBL_1936068 (CHEMBL4481827)	Inhibition of HIF-1alpha (unknown origin)/p300 (unknown origin) protein-protein interaction by fluorescence anisotropy
50010309	5	ChEMBL_1936062 (CHEMBL4481821)	Binding affinity to p300 (unknown origin) by fluorescence anisotrophy
50010309	6	ChEMBL_1936058 (CHEMBL4481817)	Binding affinity to p300 CH1 domain (unknown origin) by fluorescence anisotropy competition assay
50010309	7	ChEMBL_1936056 (CHEMBL4481815)	Binding affinity to human p300 CH1 domain (330 to 420 residues) expressed in Escherichia coli BL21(DE3) by fluorescence anisotropy competition assay
50010309	8	ChEMBL_1936055 (CHEMBL4481814)	Inhibition of human fluorescein-labeled HIF-1alpha (786 to 826 residues)/ human GST-fused p300 CH1 domain (323 to 423 residues) protein-protein interaction after 1 hr by fluorescence polarization assay
50010309	9	ChEMBL_1936053 (CHEMBL4481812)	Inhibition of HIF-1alpha (unknown origin)/p300 (unknown origin) protein-protein interaction
50010309	10	ChEMBL_1936052 (CHEMBL4481811)	Inhibition of HIF-1alpha/p300 protein-protein interaction in human cells after 2 hrs by immunoprecipitation assay
50010309	11	ChEMBL_1936051 (CHEMBL4481810)	Binding affinity to His-tagged HIF-1alpha (1 to 350 residues) (unknown origin) PAS B domain expressed in Escherichia coli BL21(DE3) by ITC
50010309	12	ChEMBL_1936069 (CHEMBL4481828)	Binding affinity to p300 (unknown origin) by ITC assay
50010309	13	ChEMBL_1936060 (CHEMBL4481819)	Inhibition of fluorescein-labeled HIF-1alpha (786 to 826 residues) (unknown origin)/GST-fused p300 CH1 domain (323 to 423 residues) (unknown origin) protein-protein interaction after overnight incubation by time-resolved fluorescence assay
50010309	14	ChEMBL_1936057 (CHEMBL4481816)	Inhibition of HIF-1alpha (786 to 826 residues) (unknown origin)/p300 (unknown origin) protein-protein interaction by ITC
50010309	15	ChEMBL_1936050 (CHEMBL4481809)	Binding affinity to Cys255 residue of C-terminal Avi/FLAG-tagged HIF-1alpha (unknown origin) after 1 hr by AlphaScreen assay
50010310	1	ChEMBL_1936071 (CHEMBL4481830)	Inhibition of BRD9 (unknown origin) using H4 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by Alphascreen assay
50010310	2	ChEMBL_1936075 (CHEMBL4481834)	Binding affinity to recombinant human BRD9 by isothermal calorimetric titration method
50010313	1	ChEMBL_1936078 (CHEMBL4481837)	Inhibition of human DHFR assessed as reduction in consumption of NADPH using DHF as substrate preincubated for 1 min followed by DHF addition and measured for 2 mins by spectrophotometric method
50010313	2	ChEMBL_1936077 (CHEMBL4481836)	Inhibition of Mycobacterium tuberculosis H37Rv DHFR expressed in Escherichia coli BL21(DE3) assessed as reduction in consumption of NADPH using DHF as substrate preincubated for 1 min followed by DHF addition and measured for 2 mins by spectrophotometric method
50010314	1	ChEMBL_1936169 (CHEMBL4481928)	Inhibition of JAK1 (unknown origin) after 1 hr by FRET-based Z'-Lyte assay
50010314	2	ChEMBL_1936170 (CHEMBL4481929)	Inhibition of JAK2 (unknown origin) after 1 hr FRET-based Z'-Lyte assay
50010314	3	ChEMBL_1936168 (CHEMBL4481927)	Inhibition of human JAK2 (828 to 1132 residues) expressed in baculovirus infected Sf9 insect cells using EQEDEPEGDYFEWLE as substrate after 1 hr by fluorescence assay
50010314	4	ChEMBL_1936166 (CHEMBL4481925)	Inhibition of human recombinant JAK2 (808 to 1132 residues) by Z-Lyte assay
50010314	5	ChEMBL_1936165 (CHEMBL4481924)	Inhibition of human recombinant JAK1 (852 to 1142 residues) by Z-Lyte assay
50010314	6	ChEMBL_1936167 (CHEMBL4481926)	Inhibition of human JAK1 (837 to 1142 residues) expressed in baculovirus infected Sf9 insect cells using EQEDEPEGDYFEWLE as substrate after 1 hr by fluorescence assay
50010317	1	ChEMBL_1936186 (CHEMBL4481945)	Inhibition of human CK2 using HRRRDDD-SDDD-NH2 as substrate after 30 mins by ADP-Glo reagent based luminescence assay
50010317	2	ChEMBL_1936185 (CHEMBL4481944)	Inhibition of CK2 (unknown origin)
50010318	1	ChEMBL_1936197 (CHEMBL4481956)	Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine as substrate by spectrophotometric method
50010318	2	ChEMBL_1936203 (CHEMBL4481962)	Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins by electrophoresis method
50010318	3	ChEMBL_1936204 (CHEMBL4481963)	Inhibition of Escherichia coli KAS3 expressed in Escherichia coli BL21(DE3)
50010319	1	ChEMBL_1936233 (CHEMBL4481992)	Inhibition of recombinant human N-terminal p110beta/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assay
50010319	2	ChEMBL_1936232 (CHEMBL4481991)	Inhibition of recombinant human N-terminal p110alpha/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assay
50010319	3	ChEMBL_1936234 (CHEMBL4481993)	Inhibition of recombinant human N-terminal p110delta/p85alpha expressed in baculovirus infected Sf9 insect cells using PIP2 as substrate by HTRF assay
50010325	1	ChEMBL_1936245 (CHEMBL4482004)	Inhibition of Staphylococcus aureus MraY assessed as reduction in dansylated lipid I formation using UDP-MurNAc-dansylpentapeptide incubated for 3 hrs by fluorescence assay
50010326	1	ChEMBL_1936249 (CHEMBL4482008)	Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subsequently measured after 1 hr by HTRF assay
50010326	2	ChEMBL_1936250 (CHEMBL4482009)	Inhibition of human JAK2 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subsequently measured after 1 hr by HTRF assay
50010326	3	ChEMBL_1936251 (CHEMBL4482010)	Inhibition of human JAK1 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subsequently measured after 1 hr by HTRF assay
50010326	4	ChEMBL_1936255 (CHEMBL4482014)	Inhibition of human TYK2 using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and further incubated for 30 mins and subsequently measured after 1 hr by HTRF assay
50010326	5	ChEMBL_1936246 (CHEMBL4482005)	Inhibition of JAK3 (unknown origin)
50010326	6	ChEMBL_1936247 (CHEMBL4482006)	Inhibition of human GST-tagged JAK3 using FITC-KGGEEEEYFELVKK as substrate by fluorescence assay
50010326	7	ChEMBL_1936257 (CHEMBL4482016)	Inhibition of human GST-tagged JAK2 by fluorescence assay
50010326	8	ChEMBL_1936248 (CHEMBL4482007)	Inhibition of human GST-tagged JAK1 by fluorescence assay
50010327	1	ChEMBL_1936259 (CHEMBL4482018)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production incubated for 24 hrs relative to control
50010327	2	ChEMBL_1936260 (CHEMBL4482019)	Inhibition of IDO1 in IFN-gamma/LPS stimulated human THP-1 cells assessed as reduction in kynurenine production after 24 hrs
50010328	1	ChEMBL_1936353 (CHEMBL4482112)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010328	2	ChEMBL_1936362 (CHEMBL4482121)	Inhibition of HDAC6 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010328	3	ChEMBL_1936363 (CHEMBL4482122)	Inhibition of HDAC8 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010328	4	ChEMBL_1936352 (CHEMBL4482111)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010328	5	ChEMBL_1936364 (CHEMBL4482123)	Inhibition of HDAC11 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010328	6	ChEMBL_1936361 (CHEMBL4482120)	Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50010329	1	ChEMBL_1936429 (CHEMBL4482188)	Inhibition of OAT3 (unknown origin) expressed in HEK293 cells assessed as reduction in 6-CF uptake measured after 5 mins by fluorescence assay
50010329	2	ChEMBL_1936428 (CHEMBL4482187)	Inhibition of OAT1 (unknown origin) expressed in HEK293 cells assessed as reduction in 6-CF uptake measured after 5 mins by fluorescence assay
50010330	1	ChEMBL_1936447 (CHEMBL4482206)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 30 mins
50010332	1	ChEMBL_1936470 (CHEMBL4482229)	Inhibition of Wistar rat brain MAOB using kynuramine as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50010332	2	ChEMBL_1936469 (CHEMBL4482228)	Inhibition of Wistar rat brain MAOA using kynuramine as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50010336	134	ChEBML_1970686	Inhibition of recombinant human GST-tagged INSR cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	135	ChEBML_1970687	Inhibition of recombinant human GST-tagged INSRR cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	136	ChEBML_1970688	Inhibition of recombinant human GST-tagged IRAK1 catalytic domain (194 to 712 residues) expressed in baculovirus expression system using Histone H3 (1-20) peptide as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	137	ChEBML_1970689	Inhibition of recombinant full length human His-tagged IRAK4 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	138	ChEBML_1970690	Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	139	ChEBML_1970691	Inhibition of human recombinant GST tagged JAK1 expressed in baculovirus expression system using Tyr6 peptide as substrate measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	271	ChEBML_1970801	Inhibition of recombinant human GST-tagged p70S6K catalytic domain expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	142	ChEMBL_1970694 (CHEMBL4603512)	Inhibition of recombinant GST-tagged human JAK2-JH1/JH2 domain (574 to 1154 residues) expressed in baculovirus expression system using Tyr 06 as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	257	ChEBML_1970810	Inhibition of recombinant full length human His-tagged SRPK1 expressed in baculovirus expression system using serine/threonine-18 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	203	ChEBML_1970733	Inhibition of recombinant human GST-tagged MUSK cytoplasmic domain (519 to 869 residues) expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	145	ChEBML_1970696	Inhibition of human recombinant His-tagged KIT cytoplasmic domain expressed in baculovirus expression system using Tyr6 peptide as measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	146	ChEBML_1970698	Inhibition of recombinant full length human His-tagged LCK expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	263	ChEBML_1970818	Inhibition of recombinant full length human GST-tagged MST1 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	148	ChEBML_1970700	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate measured after 1 hr in presence of ATP by ADAPTA assay
50010336	149	ChEBML_1970701	Inhibition of recombinant human GST-tagged LTK (450 to 864 residues) cytoplasmic domain expressed in baculovirus expression system using tyrosine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	190	ChEBML_1970758	Inhibition of recombinant full length human N-terminal GST-tagged PHKG2 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	151	ChEBML_1970702	Inhibition of recombinant full length human GST-tagged LYN-A expressed in insect cells using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	152	ChEBML_1970704	Inhibition of recombinant full length human His-tagged MEK1 expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	153	ChEBML_1970705	Inhibition of recombinant full length human His-tagged MEK2 expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	154	ChEBML_1970706	Inhibition of recombinant full length human His-tagged MAP2K6 expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	155	ChEBML_1970707	Inhibition of recombinant human GST-tagged MAP3K8 catalytic domain expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	156	ChEBML_1970708	Inhibition of recombinant human GST-tagged MAP3K9 catalytic domain expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	157	ChEBML_1970709	Inhibition of recombinant full length human HIs-tagged MAP4K2 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	158	ChEBML_1970710	Inhibition of recombinant full length human GST-tagged ERK2 expressed in Escherichia coli expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	210	ChEBML_1970795	Inhibition of recombinant human GST-tagged ROS1 cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	160	ChEBML_1970712	Inhibition of recombinant full length human His-tagged p38beta expressed in baculovirus expression system using serine/threonine-15 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	161	ChEBML_1970713	Inhibition of recombinant full length human His-tagged p38gamma expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	162	ChEBML_1970714	Inhibition of recombinant full length human His-tagged p38delta expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	278	ChEBML_1970442	Inhibition of human ERG
50010336	164	ChEBML_1970715	Inhibition of recombinant full length GST-tagged human inactive MAPK14 expressed in Escherichia coli using Ser/Thr 04 as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	165	ChEBML_1970717	Inhibition of recombinant full length human GST-tagged ERK1 expressed in Escherichia coli using fluorophore-labeled serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	166	ChEBML_1970718	Inhibition of recombinant full length human His-tagged JNK1alpha1 expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	167	ChEBML_1970719	Inhibition of recombinant full length human His-tagged JNK2 expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	168	ChEBML_1970720	Inhibition of recombinant full length human His-tagged PRAK expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	169	ChEBML_1970721	Inhibition of recombinant full length human GST-tagged MARK1 expressed in baculovirus expression system using serine/threonine-21 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	170	ChEBML_1970722	Inhibition of recombinant full length human GST-tagged MARK2 expressed in baculovirus expression system using serine/threonine-21 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	171	ChEBML_1970723	Inhibition of recombinant full length human GST-tagged MARK3 expressed in baculovirus expression system using serine/threonine-25 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	172	ChEBML_1970724	Inhibition of recombinant full length human GST-tagged MARK4 expressed in baculovirus expression system using serine/threonine-25 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	173	ChEBML_1970725	Inhibition of recombinant full length human His-tagged MATK expressed in Escherichia coli using tyr-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	174	ChEBML_1970726	Inhibition of recombinant human GST-tagged MELK catalytic domain expressed in baculovirus expression system using serine/threonine-17 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	175	ChEBML_1970727	Inhibition of recombinant human GST-tagged MER (578 to 872 residues) expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	176	ChEMBL_1970728 (CHEMBL4603546)	Inhibition of human recombinant His-tagged cMET cytoplasmic domain expressed in baculovirus expression system using tyrosine 6 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	275	ChEBML_1970805	Inhibition of recombinant full length GST-tagged human SNF1LK2 expressed in baculovirus expression system using Ser/Thr 25 as substrate in presence of ATP after 1 hr by Z'LYTE assay
50010336	178	ChEBML_1970730	Inhibition of recombinant full length human GST-tagged MKNK1 expressed in insect cells using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	179	ChEBML_1970731	Inhibition of recombinant human GST-tagged RON catalytic domain (983 to 1400 residues) expressed in baculovirus expression system using tyrosine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	180	ChEBML_1970732	Inhibition of recombinant full length human GST-tagged MST4 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010337	1	ChEMBL_1971208 (CHEMBL4604026)	Inhibition of c-Met (unknown origin) by caliper mobility shift assay
50010337	2	ChEMBL_1971209 (CHEMBL4604027)	Inhibition of c-Kit (unknown origin) by enzymatic assay
50010337	3	ChEMBL_1971210 (CHEMBL4604028)	Inhibition of FLT3 (unknown origin) by enzymatic assay
50010337	4	ChEMBL_1971211 (CHEMBL4604029)	Inhibition of VEGFR2 (unknown origin) by enzymatic assay
50010337	5	ChEMBL_1971212 (CHEMBL4604030)	Inhibition of PDGFRbeta (unknown origin) by enzymatic assay
50010337	6	ChEMBL_1971213 (CHEMBL4604031)	Inhibition of ALK (unknown origin) by enzymatic assay
50010337	7	ChEMBL_1971214 (CHEMBL4604032)	Inhibition of RON (unknown origin) by enzymatic assay
50010338	1	ChEMBL_1971343 (CHEMBL4604161)	Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf21 cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetric assay
50010338	2	ChEMBL_1971332 (CHEMBL4604150)	Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry assay
50010338	3	ChEMBL_1971333 (CHEMBL4604151)	Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminaL GST-tagged human recombinant NCOR2 (395 to 489 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis
50010338	4	ChEMBL_1971342 (CHEMBL4604160)	Inhibition of recombinant human C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in baculovirus infected insect cells using Boc-K(Ac)-AMC as substrate after 60 mins by fluorimetry analysis
50010338	5	ChEMBL_1971341 (CHEMBL4604159)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 90 mins by fluorimetry analysis
50010338	6	ChEMBL_1971339 (CHEMBL4604157)	Inhibition of recombinant C-terminal His-tagged and N-terminal Streptavidin2-tagged human HDAC8 (1 to 377 residues) expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate after 60 mins by fluorescence assay
50010339	1	ChEMBL_1971381 (CHEMBL4604199)	Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addition and measured after 20 mins by DNTB reagent-based spectrophotometric method
50010341	1	ChEMBL_1971424 (CHEMBL4604242)	Inhibition of tracer K10 binding to NanoLuc-CDK2/Cyclin A (unknown origin) expressed in human HEK293 cells after 1 hr in presence of ATP by NanoBRET assay
50010341	2	ChEMBL_1971425 (CHEMBL4604243)	Inhibition of tracer K10 binding to NanoLuc-CDK9/Cyclin T1 (unknown origin) expressed in human HEK293 cells after 1 hr in presence of ATP by NanoBRET assay
50010342	1	ChEMBL_1971472 (CHEMBL4604290)	Inhibition of PDE1A (unknown origin)
50010342	2	ChEMBL_1971475 (CHEMBL4604293)	Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay
50010343	1	ChEMBL_1971484 (CHEMBL4604302)	Inhibition of factor 10a (unknown origin)
50010343	2	ChEMBL_1971486 (CHEMBL4604304)	Binding affinity to factor 10a (unknown origin) assessed as dissociation rate constant by SPR assay
50010343	3	ChEMBL_1971487 (CHEMBL4604305)	Binding affinity to factor 10a (unknown origin) by SPR assay
50010344	1	ChEMBL_1971490 (CHEMBL4604308)	Inhibition of human carbonic anhydrase 1 using 4-NPA as substrate measured for 3 mins by spectrophotometry
50010344	2	ChEMBL_1971491 (CHEMBL4604309)	Inhibition of human carbonic anhydrase 2 using 4-NPA as substrate measured for 3 mins by spectrophotometry
50010347	1	ChEMBL_1971515 (CHEMBL4604333)	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate incubated for 15 mins by spectrophotometric method
50010347	2	ChEMBL_1971516 (CHEMBL4604334)	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenolate formation using using pNPP as substrate by Dixon plot analysis
50010348	1	ChEMBL_1971657 (CHEMBL4604475)	Inhibition of N-Terminal GST tagged human GSK3A expressed in baculovirus expression system after 1 hr by Z'-LYTE assay
50010348	2	ChEMBL_1971658 (CHEMBL4604476)	Inhibition of human MAPK14 expressed in Escherichia coli after 1 hr by Z'-LYTE assay
50010348	3	ChEMBL_1971659 (CHEMBL4604477)	Inhibition of His-tagged recombinant human RSK2 expressed in baculovirus expression system after 1 hr by by Z'-LYTE assay
50010350	1	ChEMBL_1971675 (CHEMBL4604493)	Inhibition of Staphylococcus aureus sortase A
50010350	2	ChEMBL_1971676 (CHEMBL4604494)	Inhibition of Candida albicans ICL assessed as reduction in glyoxylate phenylhydrazone formation using M threo-DL(+)isocitrate as substrate incubated for 30 mins by spectrophotometric method
50010351	1	ChEMBL_1971684 (CHEMBL4604502)	Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity by measuring doxorubicin IC50 at 2.5 uM after 48 hrs by MTT assay (Rvb = 4.9 microM)
50010336	228	ChEBML_1970780	Inhibition of recombinant full length human His-tagged PKCtheta expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	239	ChEBML_1970763	Inhibition of recombinant full length human His-tagged PIM1 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	194	ChEBML_1970745	Inhibition of recombinant full length human GST-tagged PAK1 expressed in baculovirus expression system using serine/threonine-19 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	249	ChEBML_1970822	Inhibition of recombinant human GST-tagged TIE2 (817 to 1101 residues) expressed in baculovirus expression system using tyrosine-5 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	236	ChEBML_1970775	Inhibition of recombinant full length human GST-tagged PRKCE expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	216	ChEMBL_1970792 (CHEMBL4603610)	Inhibition of recombinant human GST-tagged RET Y791F mutant cytoplasmic domain expressed in baculovirus expression system using tyr02 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	266	ChEBML_1970809	Inhibition of recombinant full length human GST-tagged SRM expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	233	ChEBML_1970778	Inhibition of recombinant full length human His-tagged PRKCI expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	198	ChEBML_1970749	Inhibition of recombinant human His-tagged PAK7 catalytic domain (425 to 719 residues) expressed in baculovirus expression system using serine/threonine-20 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	197	ChEBML_1970742	Inhibition of recombinant human His-tagged NTRK2 cytoplasmic domain (526 to 838 residues) expressed in baculovirus expression system using tyrosine-01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	232	ChEBML_1970771	Inhibition of recombinant human GST-tagged PKCalpha expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	225	ChEBML_1970787	Inhibition of recombinant full length human N-terminal GST-tagged PTK2B cytoplasmic domain expressed in baculovirus expression system using tyr01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	252	ChEBML_1970826	Inhibition of recombinant full length human His-tagged ZAP70 cytoplasmic domain expressed in baculovirus expression system using fluorophore-labeled tyrosine-07 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	286	ChEMBL_1970461 (CHEMBL4603279)	Inhibition of recombinant full length human GST-tagged BRAF expressed in baculovirus expression system using tyrosine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	205	ChEBML_1970737	Inhibition of recombinant full length human GST-tagged NEK4 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	258	ChEBML_1970815	Inhibition of recombinant full length human GST-tagged MST3 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	36	ChEMBL_1970477 (CHEMBL4603295)	Inhibition of recombinant full length human His-tagged ABL1 T315I mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	281	ChEMBL_1970649 (CHEMBL4603467)	Inhibition of human recombinant GST-tagged EGFR T790M mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	214	ChEBML_1970798	Inhibition of recombinant full length human GST-tagged RPS6KA4 expressed in baculovirus expression system using ser/Thr01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	204	ChEBML_1970738	Inhibition of recombinant full length human GST-tagged NEK6 expressed in insect expression system using serine/threonine-22 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	33	ChEMBL_1970480 (CHEMBL4603298)	Inhibition of recombinant full length human His-tagged ABL1 cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	227	ChEBML_1970781	Inhibition of recombinant full length human PKCzeta expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	244	ChEBML_1970766	Inhibition of recombinant full length GST-tagged human PKN1 expressed in baculovirus expression system using Ser/Thr 07 as substrate in presence of ATP after 1 hr by Z'-LYTE assay
50010336	270	ChEBML_1970802	Inhibition of recombinant human GST-tagged SGK1 catalytic domain (60 to 431 residues) expressed in baculovirus expression system using serine/threonine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	191	ChEBML_1970757	Inhibition of recombinant full length human GST-tagged PHKG1 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	211	ChEBML_1970794	Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system using serine/threonine-13 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	223	ChEBML_1970789	Inhibition of recombinant human GST-tagged RAF1 Y340D Y341D mutant catalytic domain expressed in baculovirus expression system using serine/threonine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	240	ChEBML_1970762	Inhibition of recombinant full length human GST-tagged PIK3C3 expressed in baculovirus expression system using PI lipid as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	287	ChEMBL_1970476 (CHEMBL4603294)	Inhibition of recombinant full length human His-tagged ABL1 Y253F mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	262	ChEBML_1970819	Inhibition of recombinant full length human GST-tagged SYK expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	235	ChEBML_1970776	Inhibition of recombinant full length human GST-tagged PRKCG expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	288	ChEMBL_1970692 (CHEMBL4603510)	Inhibition of human recombinant GST tagged JAK2 catalytic domain expressed in baculovirus expression system using Tyr6 peptide as substrate measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	274	ChEBML_1970806	Inhibition of recombinant full length GST-tagged human SPHK2 expressed in baculovirus expression system using Sphingosine lipid as substrate in presence of ATP after 1 hr by Adapta assay
50010336	289	ChEMBL_1970729 (CHEMBL4603547)	Inhibition of human recombinant His-tagged cMET M1250T mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine 6 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	251	ChEBML_1970820	Inhibition of recombinant human GST-tagged TAO2 catalytic domain (1 to 314 residues) expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	199	ChEBML_1970748	Inhibition of recombinant human GST-tagged PAK4 catalytic domain (295 to 591 residues) expressed in baculovirus expression system using serine/threonine-20 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	196	ChEBML_1970743	Inhibition of recombinant human His-tagged TrkC cytoplasmic domain (510 to 825 residues) expressed in baculovirus using tyr 01 as substrate incubated for 1 hr in presence of ATP by Z'-Lyte assay
50010336	237	ChEBML_1970779	Inhibition of recombinant full length human GST-tagged PKD3 expressed in baculovirus expression system using serine/threonine-17 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	277	ChEMBL_1970669 (CHEMBL4603487)	Inhibition of recombinant human His-tagged FLT3 D835Y mutant cytoplasmic domain expressed in baculovirus expression system after 1 using tyrosine 2 as substrate after 1 hr in presence of ATP by ZYLTE assay
50010336	253	ChEBML_1970825	Inhibition of recombinant human GST-tagged RSE catalytic domain (451 to 890 residues) expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	202	ChEBML_1970734	Inhibition of recombinant full length human GST-tagged MYLK2 expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	224	ChEBML_1970788	Inhibition of recombinant full length human His-tagged BRK expressed in baculovirus expression system using tyr01 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	290	ChEMBL_1970790 (CHEMBL4603608)	Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system using tyr02 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	256	ChEBML_1970811	Inhibition of recombinant full length human GST-tagged SRPK2 expressed in baculovirus expression system using serine/threonine-07 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	291	ChEMBL_1970715 (CHEMBL4603533)	Inhibition of recombinant full length GST-tagged human inactive MAPK14 expressed in Escherichia coli using Ser/Thr 04 as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	243	ChEBML_1970767	Inhibition of recombinant full length human His-tagged PLK1 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	208	ChEBML_1970739	Inhibition of NEK7 (unknown origin) by Z'LYTE assay
50010336	292	ChEMBL_1970503 (CHEMBL4603321)	Inhibition of PI3K delta (unknown origin) by Adapta assay
50010336	293	ChEMBL_1970699 (CHEMBL4603517)	Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 amino acids) expressed in baculovirus expression system using ERM (LRRKtide) peptide as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	215	ChEBML_1970797	Inhibition of recombinant full length human GST-tagged RPS6KA2 expressed in insect expression system using Ser/Thr 06 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	294	ChEMBL_1970702 (CHEMBL4603520)	Inhibition of recombinant full length human GST-tagged LYN-A expressed in insect cells using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	217	ChEMBL_1970791 (CHEMBL4603609)	Inhibition of recombinant human GST-tagged RET V804L mutant cytoplasmic domain expressed in baculovirus expression system using tyr02 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	185	ChEBML_1970756	Inhibition of full length recombinant His-tagged human PDK1 expressed in baculovirus expression system using Ser/Thr 07 as substrate after 1 hr in presence of ATP by Z'LYTE assay
50010336	295	ChEMBL_1970711 (CHEMBL4603529)	Inhibition of recombinant full length human GST-tagged JNK3 expressed in baculovirus expression system using serine/threonine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	245	ChEBML_1970765	Inhibition of recombinant full length GST-tagged human PKG2 expressed in baculovirus expression system using Ser/Thr 01 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	222	ChEBML_1970782	Inhibition of recombinant full length human GST-tagged PKCmu expressed in baculovirus expression system using serine/threonine-17 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	265	ChEBML_1970816	Inhibition of recombinant full length human GST-tagged YSK1 expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	269	ChEBML_1970803	Inhibition of recombinant human GST-tagged SGK2 catalytic domain (54 to 427 residues) expressed in baculovirus expression system using serine/threonine-6 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	212	ChEBML_1970793	Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	280	ChEMBL_1970695 (CHEMBL4603513)	Inhibition of human recombinant N-terminal GST tagged JAK2 JH1 catalytic domain (532 to 1132 residues) expressed in baculovirus expression system using Tyr6 peptide as measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	250	ChEBML_1970821	Inhibition of recombinant full length human GST-tagged TBK1 expressed in insect expression system using serine/threonine-5 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	273	ChEBML_1970807	Inhibition of recombinant full length human His-tagged SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	241	ChEBML_1970761	Inhibition of recombinant full length human N-terminal GST-tagged PIK3C2alpha catalytic domain expressed in baculovirus expression system using PI lipid as substrate incubated for 60 mins in presence of ATP by Adapta assay
50010336	200	ChEBML_1970747	Inhibition of recombinant full length human His-tagged PAK3 expressed in baculovirus expression system using serine/threonine-20 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	231	ChEMBL_1970772 (CHEMBL4603590)	Inhibition of recombinant full length human GST-tagged PKCbeta1 expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	195	ChEBML_1970744	Inhibition of recombinant full length His-tagged human NUAK1 expressed in baculovirus expression system using CHKtide as substrate after 1 hr in presence of ATP by Adapta assay
50010336	254	ChEBML_1970824	Inhibition of recombinant human GST-tagged TYK2 catalytic domain (833 to 1187 residues) expressed in baculovirus expression system using tyrosine-3 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	230	ChEBML_1970772	Inhibition of recombinant full length human GST-tagged PKCbeta1 expressed in insect expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	296	ChEMBL_1970696 (CHEMBL4603514)	Inhibition of human recombinant His-tagged KIT cytoplasmic domain expressed in baculovirus expression system using Tyr6 peptide as measured after 1 hr in presence of ATP by Z'-LYTE assay
50010336	112	ChEMBL_1970664 (CHEMBL4603482)	Inhibition of recombinant His-tagged human FGFR3 (399 to 806 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50010336	207	ChEBML_1970735	Inhibition of recombinant human GST-tagged NEK1 catalytic domain (1 to 505 residues) expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	187	ChEMBL_1970754 (CHEMBL4603572)	Inhibition of recombinant human GST-tagged PDGFRalpha V561D mutant cytoplasmic domain expressed in baculovirus expression system using tyrosine-4 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	261	ChEBML_1970812	Inhibition of recombinant full length human His-tagged STK22B expressed in baculovirus expression system using serine/threonine-04 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	193	ChEBML_1970740	Inhibition of recombinant human GST-tagged NEK9 catalytic domain (347 to 732 residues) expressed in baculovirus expression system using serine/threonine-7 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	248	ChEBML_1970768	Inhibition of recombinant full length human GST-tagged PLK2 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010336	297	ChEMBL_1970646 (CHEMBL4603464)	Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50010336	219	ChEBML_1970785	Inhibition of recombinant full length human GST-tagged PRKX expressed in baculovirus expression system using serine/threonine-1 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50010353	1	ChEMBL_1970833 (CHEMBL4603651)	Chaperone activity at GCase in wild-type human fibroblasts assessed as increase in GPN-induced reduction of calcium release using Fluo-8AM based fluorescence assay
50010354	1	ChEMBL_1970844 (CHEMBL4603662)	Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay
50010354	2	ChEMBL_1970845 (CHEMBL4603663)	Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay
50010355	1	ChEMBL_1970863 (CHEMBL4603681)	Agonist activity at recombinant human AC8 expressed in human HEK293 cells assessed as fold increase in cAMP level by LANCE Ultra cAMP Detection kit method
50010356	1	ChEMBL_1970866 (CHEMBL4603684)	Inhibition of human CETP
50010357	1	ChEMBL_1970871 (CHEMBL4603689)	Agonist activity at human TLR8 expressed in HEK-Blue cells assessed as induction of NFkappaB activation by measuring increase in SEAP level by SEAP reporter gene-based UV-vis absorbance method
50010357	2	ChEMBL_1970870 (CHEMBL4603688)	Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as induction of NFkappaB activation by measuring increase in SEAP level by SEAP reporter gene-based UV-vis absorbance method
50010358	1	ChEMBL_1970888 (CHEMBL4603706)	Inhibition of recombinant human CYP1A2 using luciferin-ME as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo assay
50010359	1	ChEMBL_1970889 (CHEMBL4603707)	Inhibition of human amyloid beta (1 to 40) aggregation after 24 hrs by ThT fluorescence assay
50010360	1	ChEMBL_1970941 (CHEMBL4603759)	Inhibition of N-terminal Met/His6-tagged recombinant human ALDH1A1 (Ser2-Ser501 residues) expressed in Escherichia coli cells using propionaldehyde as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric method
50010360	2	ChEMBL_1970957 (CHEMBL4603775)	Inhibition of ALDH1A (unknown origin)
50010361	1	ChEMBL_1970958 (CHEMBL4603776)	Inhibition of recombinant human full-length FLAG-tagged ITK expressed in Sf9 cells using biotinylated GST-tagged SLP76 as substrate incubated for 10 mins in presence of ATP by fluorescence based assay
50010361	2	ChEMBL_1970959 (CHEMBL4603777)	Inhibition of ITK (unknown origin)
50010361	3	ChEMBL_1970960 (CHEMBL4603778)	Inhibition of ITK (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50010361	4	ChEMBL_1970961 (CHEMBL4603779)	Inhibition of BTK (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50010361	5	ChEMBL_1970965 (CHEMBL4603783)	Binding affinity to ITK (unknown origin) using TK as substrate by HTRF assay
50010361	6	ChEMBL_1970997 (CHEMBL4603815)	Inhibition of JAK3 (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50010361	7	ChEMBL_1970998 (CHEMBL4603816)	Inhibition of EGFR (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50010361	8	ChEMBL_1970999 (CHEMBL4603817)	Inhibition of LCK (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50010361	9	ChEMBL_1971004 (CHEMBL4603822)	Inhibition of ITK in anti-CD3/CD28 beads-stimulated human Jurkat cells assessed as reduction in Plcgamma1 phosphorylation incubated for 2 hrs followed by stimulation with anti-CD3/CD28 beads by Western blot analysis
50010363	1	ChEMBL_1971120 (CHEMBL4603938)	Binding affinity to wild-type human partial length JAK1 JH2 pseudokinase domain (R537 to D855 residues) expressed in mammalian expression system at 10 uM by Kinomescan method relative to control
50010363	2	ChEMBL_1971121 (CHEMBL4603939)	Binding affinity to wild-type human partial length PIK3C3 (S282 to H879 residues) expressed in mammalian expression system at 10 uM by Kinomescan method relative to control
50010364	1	ChEMBL_1971161 (CHEMBL4603979)	Binding affinity to IDH1 (unknown origin) by surface plasmon resonance assay
50010364	2	ChEMBL_1971162 (CHEMBL4603980)	Binding affinity to IDH1 R132C mutant (unknown origin) by surface plasmon resonance assay
50010364	3	ChEMBL_1971163 (CHEMBL4603981)	Binding affinity to IDH1 R132H mutant (unknown origin) by surface plasmon resonance assay
50010364	4	ChEMBL_1971166 (CHEMBL4603984)	Inhibition of IDH1 (unknown origin) by enzymatic assay
50010364	5	ChEMBL_1971167 (CHEMBL4603985)	Inhibition of IDH1 R132C mutant (unknown origin) by enzymatic assay
50010364	6	ChEMBL_1971168 (CHEMBL4603986)	Inhibition of IDH1 R132H mutant (unknown origin) by enzymatic assay
50010365	1	ChEMBL_1971689 (CHEMBL4604507)	Inhibition of Trypanosoma brucei rhodesiense C-terminal full length rhodesain expressed in Pichia pastoris using Cbz-PheArg-AMC as substrate measured every 30 sec for 10 mins by fluorescence based assay
50010367	1	ChEMBL_1971729 (CHEMBL4604547)	Inhibition of human integrin alphaL beta2 assessed as reduction in integrin alphaL beta2/ICAM1 protein-protein interaction by ELISA
50010367	2	ChEMBL_1971725 (CHEMBL4604543)	Inhibition of human integrin alphavbeta3 expressed in HEK293 cells assessed as reduction in cell adhesion to fibrinogen preincubated for 20 mins followed by phosphatase substrate addition and measured after 1 hr by spectrophotometry
50010367	3	ChEMBL_1971726 (CHEMBL4604544)	Binding affinity to human integrin alphavbeta3 by surface plasmon resonance method
50010367	4	ChEMBL_1971727 (CHEMBL4604545)	Inhibition of FITC-dodecapeptide binding to human integrin alpha2b beta3 receptor stably expressed in CHO Lec.3.2.8.1 cells by fluorescence anisotropy
50010367	5	ChEMBL_1971728 (CHEMBL4604546)	Inhibition of human integrin alphavbeta3 (unknown origin)
50010367	6	ChEMBL_1971730 (CHEMBL4604548)	Binding affinity to human lymphocyte integrin alphaL beta2 (Cys125 to Gly311residues) expressed in Escherichia coli XL-1B cells by isothermal titration calorimetry
50010367	7	ChEMBL_1971731 (CHEMBL4604549)	Inhibition of human alpha2 beta1 expressed in CHO cells assessed as reduction in cell adhesion to collagen type 1 incubated for 5 mins by DiOC6 dye based fluorescence microscopy
50010367	8	ChEMBL_1971732 (CHEMBL4604550)	Inhibition of human alpha2 beta1 in human platelets assessed as reduction in platelet adhesion to collagen type 1 incubated for 30 mins
50010367	9	ChEMBL_1971733 (CHEMBL4604551)	Binding affinity to human integrin alpha4beta1 incubated for 6 hrs by radioligand binding assay
50010367	10	ChEMBL_1971734 (CHEMBL4604552)	Displacement of [3H] C8 from human integrin alphavbeta1 incubated for 6 hrs by competition binding assay
50010368	1	ChEMBL_1971866 (CHEMBL4604684)	Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method
50010368	2	ChEMBL_1971865 (CHEMBL4604683)	Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method
50010368	3	ChEMBL_1971878 (CHEMBL4604696)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 12 min in presence of NADPH by LC-MS/MS analysis
50010368	4	ChEMBL_1971879 (CHEMBL4604697)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 2 min in presence of NADPH by LC-MS/MS analysis
50010368	5	ChEMBL_1971892 (CHEMBL4604710)	Antagonist activity at alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells assessed as reduction in acetylcholine-induced currents at -80 mV holding potential by whole-cell patch clamp method
50010368	6	ChEMBL_1971894 (CHEMBL4604712)	In vivo receptor occupancy at alpha4beta2 nAChR in Wistar rat assessed as brain concentration pretreated for 15 mins followed by non radiolabelled ZW-104 tracer treatment and measured after 45 mins by LC-MS/MS analysis
50010368	7	ChEMBL_1971895 (CHEMBL4604713)	In vivo receptor occupancy at alpha4beta2 nAChR in Wistar rat assessed as plasma concentration pretreated for 15 mins followed by non radiolabelled ZW-104 tracer treatment and measured after 45 mins by LC-MS/MS analysis
50010368	8	ChEMBL_1971874 (CHEMBL4604692)	Inhibition of recombinant human ERG expressed in HEK293 at -80 mV holding potential by whole-cell patch clamp method
50010370	1	ChEMBL_1972020 (CHEMBL4604838)	Inhibition of human CE1 using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by luminescence assay
50010370	2	ChEMBL_1972021 (CHEMBL4604839)	Inhibition of human CE2 using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by luminescence assay
50010371	1	ChEMBL_1972048 (CHEMBL4604866)	Inhibition of PU-H71-FITC binding to recombinant wild-type human TRAP1 expressed in Escherichia coli BL21 (DE3) measured after 2 hrs by fluorescence polarization assay
50010372	1	ChEMBL_1972137 (CHEMBL4604955)	Inhibition of GSK3beta (unknown origin)
50010372	2	ChEMBL_1972140 (CHEMBL4604958)	Inhibition of DYRK1A (unknown origin)
50010372	3	ChEMBL_1972143 (CHEMBL4604961)	Inhibition of recombinant human DYRK1A (129 to 509 residues) expressed in mammalian expression system by Kinomescan method
50010372	4	ChEMBL_1972144 (CHEMBL4604962)	Inhibition of recombinant human GSK3beta (1 to 433 residues) expressed in mammalian expression system by Kinomescan method
50010372	5	ChEMBL_1972149 (CHEMBL4604967)	Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in Sf21 cells using Ulight-glycogen synthase as substrate incubated for 60 mins by TR-FRET LANCE method
50010372	6	ChEMBL_1972150 (CHEMBL4604968)	Inhibition of recombinant human His/GST-tagged GSK3beta (2 to 433 residues) expressed in baculovirus infected Sf9 cells using Ulight-glycogen synthase peptide as substrate incubated for 30 mins by TR-FRET LANCE method
50010372	7	ChEMBL_1972154 (CHEMBL4604972)	Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method
50010372	8	ChEMBL_1972161 (CHEMBL4604979)	Inhibition of CYP2C9 (unknown origin)
50010372	9	ChEMBL_1972162 (CHEMBL4604980)	Inhibition of CYP2D6 (unknown origin)
50010372	10	ChEMBL_1972163 (CHEMBL4604981)	Inhibition of CYP3A4 I (unknown origin)
50010372	11	ChEMBL_1972164 (CHEMBL4604982)	Inhibition of CYP3A4 II (unknown origin)
50010372	12	ChEMBL_1972207 (CHEMBL4605025)	Inhibition of human ERG by Qpatch S8 assay
50010373	1	ChEMBL_1972211 (CHEMBL4605029)	Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by Flou4-AM dye based FLIPR assay
50010373	2	ChEMBL_1972213 (CHEMBL4605031)	Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by Flou4-AM dye based FLIPR assay
50010375	1	ChEMBL_1972304 (CHEMBL4605122)	Inhibition of recombinant human full-length N-terminal His-tagged CDK6/cyclinD3 expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured after 60 mins by ADP-glo assay
50010375	2	ChEMBL_1972305 (CHEMBL4605123)	Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as substrate measured after 120 mins by ADP-glo assay
50010375	3	ChEMBL_1972306 (CHEMBL4605124)	Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA2 expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured after 10 mins by ADP-glo assay
50010375	4	ChEMBL_1972354 (CHEMBL4605172)	Binding affinity to recombinant full-length GFP-fused CDK6/His-tagged cyclin D3 (unknown origin) expressed in HEK293T cells measured after 30 mins by microscale thermophoresis method
50010375	5	ChEMBL_1972353 (CHEMBL4605171)	Binding affinity to recombinant full-length GFP-fused CDK9/His-tagged cyclin T1 (unknown origin) expressed in HEK293T cells measured after 30 mins by microscale thermophoresis method
50010375	6	ChEMBL_1972367 (CHEMBL4605185)	Inhibition of CYP1A2 (unknown origin)
50010375	7	ChEMBL_1972368 (CHEMBL4605186)	Inhibition of CYP2C9 (unknown origin)
50010375	8	ChEMBL_1972369 (CHEMBL4605187)	Inhibition of CYP2C19 (unknown origin)
50010375	9	ChEMBL_1972370 (CHEMBL4605188)	Inhibition of CYP2D6 (unknown origin)
50010375	10	ChEMBL_1972371 (CHEMBL4605189)	Inhibition of CYP3A4 (unknown origin)
50010377	1	ChEMBL_1972391 (CHEMBL4605209)	Inhibition of LMP2 in human 20S immunoproteasome using Ac-PAL-AMC as substrate after 1 hr by fluorescence based microplate reader analysis
50010377	2	ChEMBL_1972394 (CHEMBL4605212)	Inhibition of Beta1 subunit in human 20S proteasome using Ac-nLPnLD-AMC as substrate after 1 hr by fluorescence based microplate reader analysis
50010377	3	ChEMBL_1972395 (CHEMBL4605213)	Inhibition of LMP7 in human 20S immunoproteasome using Ac-ANW-AMC as substrate after 1 hr by fluorescence based microplate reader analysis
50010377	4	ChEMBL_1972396 (CHEMBL4605214)	Inhibition of Beta5 in human 20S immunoproteasome usingAc-WLA-AMC as substrate after 1 hr by fluorescence based microplate reader analysis
50010379	1	ChEMBL_1972408 (CHEMBL4605226)	Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scintillation counting method
50010379	2	ChEMBL_1972407 (CHEMBL4605225)	Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scintillation counting method
50010379	3	ChEMBL_1972409 (CHEMBL4605227)	Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scintillation counting method
50010379	4	ChEMBL_1972412 (CHEMBL4605230)	Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF assay
50010379	5	ChEMBL_1972414 (CHEMBL4605232)	Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for 30 mins followed by carbachol addition and measured after 90 mins by TR-HTRF assay
50010379	6	ChEMBL_1972416 (CHEMBL4605234)	Agonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as beta-arrestin2 recruitment incubated for 90 mins by PathHunter assay
50010379	7	ChEMBL_1972417 (CHEMBL4605235)	Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition of carbachol-induced beta-arrestin2 recruitment preincubated for 30 mins followed by carbachol addition and measured after 90 mins by PathHunter assay
50010379	8	ChEMBL_1972433 (CHEMBL4605251)	Displacement of [3H]-NMS from Wistar rat salivary gland muscarinic M3 receptor
50010379	9	ChEMBL_1972434 (CHEMBL4605252)	Displacement of [3H]-QNB from Wistar rat heart muscarinic M2 receptor
50010379	10	ChEMBL_1972436 (CHEMBL4605254)	Displacement of [3H]pirenzepin from Wistar rat cortex muscarinic M1 receptor
50010380	1	ChEMBL_1972438 (CHEMBL4605256)	Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS addition and measured after 3 mins by fluorescence based assay
50010380	2	ChEMBL_1972439 (CHEMBL4605257)	Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry
50010380	3	ChEMBL_1972440 (CHEMBL4605258)	Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS addition and measured after 3 mins by fluorescence based assay
50010380	4	ChEMBL_1972441 (CHEMBL4605259)	Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS addition and measured after 3 mins by fluorescence based assay
50010382	1	ChEMBL_1972489 (CHEMBL4605307)	Binding affinity to 6x-His-tagged human EphA2 ecto-domain residues (Lys27 to Asn529 residues) expressed in HEK293 cells incubated for 60 mins by fluorescence polarization assay
50010389	1	ChEMBL_1972501 (CHEMBL4605319)	Binding affinity to recombinant human His/FLAG-tagged WDR5 (22 to 334 residues) expressed in Escherichia coli expression system using FITC-AHx-SEEEIDVVSV as substrate by fluorescence polarization assay
50010391	1	ChEMBL_1972513 (CHEMBL4605331)	Binding affinity human CYP17A1
50010391	2	ChEMBL_1972512 (CHEMBL4605330)	Inhibition of human CYP17A1
50010392	1	ChEMBL_1972533 (CHEMBL4605351)	Displacement of [3H]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay
50010392	2	ChEMBL_1972534 (CHEMBL4605352)	Displacement of [3H]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay
50010392	3	ChEMBL_1972535 (CHEMBL4605353)	Displacement of [3H]-NMS from human muscarinic M3 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay
50010392	4	ChEMBL_1972536 (CHEMBL4605354)	Displacement of [3H]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay
50010392	5	ChEMBL_1972537 (CHEMBL4605355)	Displacement of [3H]-NMS from human muscarinic M5 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay
50010392	6	ChEMBL_1972531 (CHEMBL4605349)	Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced IP1 accumulation at 37 degree C pre-incubated for 30 mins followed by carbachol addition and measured after 60 mins by HTRF assay
50010392	7	ChEMBL_1972538 (CHEMBL4605356)	Antagonist activity at human muscarinic M2 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced IP1 accumulation at 22 degree C pre-incubated for 180 mins followed by carbachol addition and further incubated at 37 degree C for 90 mins by HTRF assay
50010392	8	ChEMBL_1972539 (CHEMBL4605357)	Antagonist activity at human muscarinic M4 receptor expressed in HEK293 cells co-expressing HA-Galphaq/i5 assessed as inhibition of carbachol-induced IP1 accumulation at 22 degree C pre-incubated for 180 mins followed by carbachol addition and further incubated at 37 degree C for 90 mins by HTRF assay
50010392	9	ChEMBL_1972541 (CHEMBL4605359)	Binding affinity to human muscarinic M1 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric saturation binding study
50010392	10	ChEMBL_1972542 (CHEMBL4605360)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric saturation binding study
50010392	11	ChEMBL_1972543 (CHEMBL4605361)	Binding affinity to human muscarinic M4 receptor expressed in CHO-K9 cells incubated in dark at 22 degree C for 2 hrs by FACSCalibur flow cytometric saturation binding study
50010392	12	ChEMBL_1972544 (CHEMBL4605362)	Binding affinity to human muscarinic M1 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	13	ChEMBL_1972545 (CHEMBL4605363)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells incubated in dark measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	14	ChEMBL_1972547 (CHEMBL4605365)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 180 mins followed by atropine addition by flow cytometric saturation binding study
50010392	15	ChEMBL_1972548 (CHEMBL4605366)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 120 mins followed by atropine addition by flow cytometric saturation binding study
50010392	16	ChEMBL_1972549 (CHEMBL4605367)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells at 22 +/- 1 degree C preincubated for 110 mins followed by atropine addition by flow cytometric saturation binding study
50010392	17	ChEMBL_1972560 (CHEMBL4605378)	Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)piperazin-1-yl)ethyl)amino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate Bis(hydrotrifluoroacetate) fluorescent tracer from human muscarinic M2 receptor expressed in CHO-K9 cells by FACSCalibur flow cytometry
50010392	18	ChEMBL_1972561 (CHEMBL4605379)	Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)piperazin-1-yl)ethyl)amino)hexyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate Tris(hydrotrifluoroacetate fluorescent tracer from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	19	ChEMBL_1972562 (CHEMBL4605380)	Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)piperazin-1-yl)ethyl)amino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate Bis(hydrotrifluoroacetate) fluorescent tracer from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	20	ChEMBL_1972563 (CHEMBL4605381)	Displacement of 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)-1H-imidazol-4-yl)propanamido)ethyl)-amino)hexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonateHydrotrifluoroacetate fluorescent tracer from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	21	ChEMBL_1972564 (CHEMBL4605382)	Displacement of 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)-1H-imidazol-4-yl)propanamido)ethyl)carbamoyl)benzyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate Tris(hydrotrifluoroacetate) fluorescent tracer from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	22	ChEMBL_1972565 (CHEMBL4605383)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plate reader assay
50010392	23	ChEMBL_1972532 (CHEMBL4605350)	Displacement of [3H]-QNB from truncated EGFP-fused human muscarinic M1 receptor expressed in HEK293 cells by UV-visible spectroscopy
50010392	24	ChEMBL_1972567 (CHEMBL4605385)	Displacement of [3H]-UR-SK259 human muscarinic M1 receptor
50010392	25	ChEMBL_1972570 (CHEMBL4605388)	Binding affinity to EGFP-fused human muscarinic M1 receptor
50010393	1	ChEMBL_1972573 (CHEMBL4605391)	Inhibition of C-terminal His6-tagged human DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay
50010393	2	ChEMBL_1972577 (CHEMBL4605395)	Inhibition of C-terminal His6-tagged human DHODH (30 to 396 residues) expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate after 20 mins by 2,6-dichloroindophenol reduction based assay
50010393	3	ChEMBL_1972578 (CHEMBL4605396)	Inhibition of C-terminal His6-tagged mouse DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay
50010393	4	ChEMBL_1972579 (CHEMBL4605397)	Inhibition of C-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21(DE3) cells using L-DHO as substrate by DCIP dye based assay
50010393	5	ChEMBL_1972601 (CHEMBL4605419)	Inhibition of human ERG by patch clamp assay
50010393	6	ChEMBL_1972602 (CHEMBL4605420)	Inhibition of human ERG by IonWorks patch clamp electrophysiology assay
50010393	7	ChEMBL_1972603 (CHEMBL4605421)	Inhibition of human Nav1.5 expressed in HEK293 cells by IonWorks patch clamp electrophysiology assay
50010393	8	ChEMBL_1972604 (CHEMBL4605422)	Inhibition of human Cav1.2 by fluorescence based assay
50010393	9	ChEMBL_1972605 (CHEMBL4605423)	Inhibition of human Kv1.5 by IonWorks patch clamp electrophysiology assay
50010393	10	ChEMBL_1972619 (CHEMBL4605437)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	11	ChEMBL_1972620 (CHEMBL4605438)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	12	ChEMBL_1972621 (CHEMBL4605439)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	13	ChEMBL_1972622 (CHEMBL4605440)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	14	ChEMBL_1972623 (CHEMBL4605441)	Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	15	ChEMBL_1972624 (CHEMBL4605442)	Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition and measured after 10 to 40 mins in presence of NADPH regeneration system by UPLC-MS analysis
50010393	16	ChEMBL_1972583 (CHEMBL4605401)	Inhibition of CYP3A4/5 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate addition and measured after 10 to 40 mins in absence of NADPH regeneration system by UPLC-MS analysis
50010393	17	ChEMBL_1972696 (CHEMBL4605514)	Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate measured for 10 to 30 mins in presence of NADPH regenerating system by UPLC-MS analysis
50010393	18	ChEMBL_1972705 (CHEMBL4605523)	Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition and measured after 10 to 40 mins in absence of NADPH regeneration system by UPLC-MS analysis
50010393	19	ChEMBL_1972706 (CHEMBL4605524)	Inhibition of CYP3A4/5 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition and measured after 10 to 40 mins in presence of NADPH regeneration system by UPLC-MS analysis
50010394	1	ChEMBL_1972718 (CHEMBL4605536)	Inhibition of GLUT1 in human wild-type DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay
50010394	2	ChEMBL_1972719 (CHEMBL4605537)	Inhibition of GLUT3 in SLC2A1-deficient human DLD1 cells assessed as reduction in ATP level measured after 90 mins by Celltiter-glo luminescent assay
50010394	3	ChEMBL_1972750 (CHEMBL4605568)	Inhibition of human ERG by manual patch clamp assay
50010395	1	ChEMBL_1972751 (CHEMBL4605569)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by addition of ATP and nigericin further incubated for 1 hrs and measured post ATP addition 1 hr by ELISA method
50010395	2	ChEMBL_1972756 (CHEMBL4605574)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in TNF alpha level preincubated for 1 hr followed by addition of monosodium urate crystals further incubated for 16 hrs and measured post monosodium urate crystals addition 1 hr by ELISA method
50010396	1	ChEMBL_1972810 (CHEMBL4605628)	Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-binding method
50010396	2	ChEMBL_1972809 (CHEMBL4605627)	Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assay
50010396	3	ChEMBL_1972822 (CHEMBL4605640)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50010396	4	ChEMBL_1972823 (CHEMBL4605641)	Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrate
50010396	5	ChEMBL_1972824 (CHEMBL4605642)	Inhibition of human ERG
50010397	1	ChEMBL_1972848 (CHEMBL4605666)	Inhibition of EPHB3 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	2	ChEMBL_1972847 (CHEMBL4605665)	Inhibition of EPHB2 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	3	ChEMBL_1972846 (CHEMBL4605664)	Inhibition of SRC (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	4	ChEMBL_1972845 (CHEMBL4605663)	Inhibition of PDGFRalpha (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	5	ChEMBL_1972844 (CHEMBL4605662)	Inhibition of DDR2 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	6	ChEMBL_1972843 (CHEMBL4605661)	Inhibition of ABL1 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	7	ChEMBL_1972830 (CHEMBL4605648)	Inhibition of human recombinant CYP3A4 expressed in insect cell microsomes in presence of NADPH by fluorescence assay
50010397	8	ChEMBL_1972831 (CHEMBL4605649)	Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay
50010397	9	ChEMBL_1972825 (CHEMBL4605643)	Inhibition of human ABL1 assessed as residual activity using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50010397	10	ChEMBL_1972850 (CHEMBL4605668)	Inhibition of EPHB4 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	11	ChEMBL_1972849 (CHEMBL4605667)	Inhibition of LCK (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	12	ChEMBL_1972851 (CHEMBL4605669)	Inhibition of NEK6 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010397	13	ChEMBL_1972853 (CHEMBL4605671)	Inhibition of MAP4K3 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50010398	1	ChEMBL_1972857 (CHEMBL4605675)	Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in presence of ATP measured after 30 mins by TR-FRET assay
50010398	2	ChEMBL_1972858 (CHEMBL4605676)	Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(ab)2-induced phosphorylation of BLNK at Y96 residue preincubated for 1 hr followed by antihuman IgM F(ab)2 stimulation for 5 mins by MSD high bind plate assay
50010398	3	ChEMBL_1972859 (CHEMBL4605677)	Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-induced basophil activation by measuring decrease in CD63 surface expression incubated for 60 mins followed by anti-FCepsilonR1 mAb stimulation for 20 mins by flow cytometry analysis
50010398	4	ChEMBL_1972892 (CHEMBL4605710)	Inhibition of wild-type human partial length JAK2 JH1 catalytic domain (A829 to G1132 residues) expressed in mammalian expression system by Kinomescan method
50010398	5	ChEMBL_1972894 (CHEMBL4605712)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated BTK phosphorylation at Y223 residue
50010398	6	ChEMBL_1972895 (CHEMBL4605713)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated AKT phosphorylation at S473 residue
50010398	7	ChEMBL_1972896 (CHEMBL4605714)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated ERK phosphorylation at T202/Y204 residue
50010398	8	ChEMBL_1972897 (CHEMBL4605715)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated MEK phosphorylation at S217/S221 residue
50010398	9	ChEMBL_1972898 (CHEMBL4605716)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated B cells activation by measuring reduction in CD69 expression
50010398	10	ChEMBL_1972899 (CHEMBL4605717)	Inhibition of SYK (unknown origin) in B cells assessed as reduction in alpha IgM-stimulated B cells activation by measuring reduction in CD86 expression
50010398	11	ChEMBL_1972900 (CHEMBL4605718)	Inhibition of SYK-mediated alpha IgM/alpha CD40-stimulated human B lymphocytes proliferation pretreated for 1 hr followed by stimulation with alpha IgM/alpha CD40 for 90 hrs by EdU incorporation assay
50010398	12	ChEMBL_1972901 (CHEMBL4605719)	Inhibition of SYK-mediated alpha CD3/alpha CD28-stimulated human T lymphocytes proliferation measured after 90 hrs by EdU incorporation assay
50010398	13	ChEMBL_1972902 (CHEMBL4605720)	Inhibition of SYK (unknown origin) in macrophages assessed as reduction in immune complex-stimulated TNFalpha secretion
50010398	14	ChEMBL_1972903 (CHEMBL4605721)	Inhibition of SYK (unknown origin) in macrophages assessed as reduction in immune complex-stimulated IL-1 beta secretion
50010398	15	ChEMBL_1972904 (CHEMBL4605722)	Inhibition of SYK (unknown origin) in macrophages assessed as reduction in immune complex-stimulated IL-6 secretion
50010399	1	ChEMBL_1972916 (CHEMBL4605734)	Inhibition of C-terminal His6-tagged West Nile virus NS2B (52 to 96 residues)-G4SG4-NS3 (1 to 184 residues) expressed in Escherichia coli BL21(DE3) cells using Boc-Gly-Lys-Arg-AMC33 as substrate measured for 600 secs by fluorescence based assay
50010399	2	ChEMBL_1972915 (CHEMBL4605733)	Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 70 secs by fluorophotometric analysis
50010400	1	ChEMBL_1972921 (CHEMBL4605739)	Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50010401	1	ChEMBL_1972922 (CHEMBL4605740)	Inhibition of human GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus expression system using fluorescein-Poly GAT as substrate incubated for 1 to 2 hrs in presence of ATP by TR-FRET assay
50010402	1	ChEMBL_1972941 (CHEMBL4605759)	Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine production using L-tryptophan as substrate incubated for 48 hrs by fluorescence based assay
50010404	1	ChEMBL_1972971 (CHEMBL4605789)	Inhibition of KIF5B-RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	2	ChEMBL_1972972 (CHEMBL4605790)	Inhibition of KIF5B-RET V804M mutant (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	3	ChEMBL_1972973 (CHEMBL4605791)	Inhibition of RET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	4	ChEMBL_1972974 (CHEMBL4605792)	Inhibition of BCR/ABL (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	5	ChEMBL_1972975 (CHEMBL4605793)	Inhibition of NPM/ALK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	6	ChEMBL_1972976 (CHEMBL4605794)	Inhibition of BLK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	7	ChEMBL_1972977 (CHEMBL4605795)	Inhibition of BMX (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	8	ChEMBL_1972978 (CHEMBL4605796)	Inhibition of FGFR1 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	9	ChEMBL_1972979 (CHEMBL4605797)	Inhibition of FGFR2 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	10	ChEMBL_1972980 (CHEMBL4605798)	Inhibition of FGFR3 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	11	ChEMBL_1972981 (CHEMBL4605799)	Inhibition of FGFR4 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	12	ChEMBL_1972982 (CHEMBL4605800)	Inhibition of FGR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	13	ChEMBL_1972983 (CHEMBL4605801)	Inhibition of FLT1 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	14	ChEMBL_1972984 (CHEMBL4605802)	Inhibition of FLT3 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	15	ChEMBL_1972985 (CHEMBL4605803)	Inhibition of FMS (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	16	ChEMBL_1972986 (CHEMBL4605804)	Inhibition of IGF1R (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	17	ChEMBL_1972987 (CHEMBL4605805)	Inhibition of INSR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	18	ChEMBL_1972988 (CHEMBL4605806)	Inhibition of JAK2 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	19	ChEMBL_1972989 (CHEMBL4605807)	Inhibition of KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	20	ChEMBL_1972990 (CHEMBL4605808)	Inhibition of KIT (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	21	ChEMBL_1972991 (CHEMBL4605809)	Inhibition of LCK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	22	ChEMBL_1972992 (CHEMBL4605810)	Inhibition of LYN (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	23	ChEMBL_1972993 (CHEMBL4605811)	Inhibition of MER (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	24	ChEMBL_1972994 (CHEMBL4605812)	Inhibition of MET (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	25	ChEMBL_1972995 (CHEMBL4605813)	Inhibition of PDGFRalpha (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	26	ChEMBL_1972996 (CHEMBL4605814)	Inhibition of PDGFRbeta (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	27	ChEMBL_1972997 (CHEMBL4605815)	Inhibition of RON (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	28	ChEMBL_1972998 (CHEMBL4605816)	Inhibition of ROS (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	29	ChEMBL_1972999 (CHEMBL4605817)	Inhibition of SRC (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	30	ChEMBL_1973000 (CHEMBL4605818)	Inhibition of SYK (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	31	ChEMBL_1973001 (CHEMBL4605819)	Inhibition of TIE1 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	32	ChEMBL_1973002 (CHEMBL4605820)	Inhibition of TRKA (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	33	ChEMBL_1973003 (CHEMBL4605821)	Inhibition of TRKB (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	34	ChEMBL_1973004 (CHEMBL4605822)	Inhibition of TRKC (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	35	ChEMBL_1973005 (CHEMBL4605823)	Inhibition of TYRO3 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	36	ChEMBL_1973006 (CHEMBL4605824)	Inhibition of ZAP70 (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	37	ChEMBL_1973007 (CHEMBL4605825)	Inhibition of TEL/KDR (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-luciferase reporter gene assay
50010404	38	ChEMBL_1973009 (CHEMBL4605827)	Inhibition of CCDC6/RET (unknown origin) transfected in human LC2/ad cells assessed as reduction in cell viability incubated for 6 days by CellTiter Glo assay
50010404	39	ChEMBL_1973040 (CHEMBL4605858)	Displacement of [3H]-dofetilide from human ERG expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method
50010404	40	ChEMBL_1973041 (CHEMBL4605859)	Inhibition of human ERG expressed in human embryonic kidney cells by manual patch clamp assay
50010405	1	ChEMBL_1973101 (CHEMBL4605919)	Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay
50010405	2	ChEMBL_1973102 (CHEMBL4605920)	Inhibition of arginase1 in human cancer patient serum
50010405	3	ChEMBL_1973104 (CHEMBL4605922)	Inhibition of arginase1 in human HEK 293 cells
50010405	4	ChEMBL_1973105 (CHEMBL4605923)	Inhibition of arginase1 in mouse BMDM cells
50010406	1	ChEMBL_1973121 (CHEMBL4605939)	Binding affinity to GST-tagged human EPAC1 CNBD (149 to 318 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by 8-NBD-cAMP based competitive fluorescence assay
50010406	2	ChEMBL_1973122 (CHEMBL4605940)	Binding affinity to GST-tagged human EPAC1 L273W mutant expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by 8-NBD-cAMP based competitive fluorescence assay
50010408	1	ChEMBL_1973133 (CHEMBL4605951)	Inhibition of recombinant full length USP7 (unknown origin) using ubiquintin-rhodamine as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorescence-based Envision plate reader assay
50010408	2	ChEMBL_1973136 (CHEMBL4605954)	Inhibition of USP7 in human RKO cells transfected with p53 luciferase reporter vector assessed as increase in p53-dependent luciferase activity measured after 18 hrs by BrightGlo luciferase assay
50010408	3	ChEMBL_1973134 (CHEMBL4605952)	Inhibition of His6-tagged human USP1 expressed in insect Sf21 cells coexpressing untagged UAF1 assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	4	ChEMBL_1973135 (CHEMBL4605953)	Inhibition of USP47 (unknown origin) by biochemical assay
50010408	5	ChEMBL_1973140 (CHEMBL4605958)	Inhibition of human ERG
50010408	6	ChEMBL_1973153 (CHEMBL4605971)	Inhibition of human GST-tagged UCHL3 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	7	ChEMBL_1973154 (CHEMBL4605972)	Inhibition of human DAC-tagged USP27X expressed in Escherichia coli assessed as cleavage of KI63-linked di-ubiquitin to mono-ubiquitin using di-ubiquitin as substrate by mass spectrometry
50010408	8	ChEMBL_1973155 (CHEMBL4605973)	Inhibition of human GST-tagged USP2 isoform 4 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	9	ChEMBL_1973156 (CHEMBL4605974)	Inhibition of human USP15 isoform 2 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	10	ChEMBL_1973157 (CHEMBL4605975)	Inhibition of human 6His-tagged USP4 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	11	ChEMBL_1973158 (CHEMBL4605976)	Inhibition of human GST-tagged USP6 CD (529 to 1406 residues) expressed in Sf21 insect cells assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	12	ChEMBL_1973159 (CHEMBL4605977)	Inhibition of human USP8 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	13	ChEMBL_1973160 (CHEMBL4605978)	Inhibition of human GST-tagged USP9X CD (1554 to 1995 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	14	ChEMBL_1973161 (CHEMBL4605979)	Inhibition of USP11 (unknown origin)
50010408	15	ChEMBL_1973162 (CHEMBL4605980)	Inhibition of USP16 (unknown origin)
50010408	16	ChEMBL_1973163 (CHEMBL4605981)	Inhibition of human GST-tagged USP19 (1 to 1290 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	17	ChEMBL_1973164 (CHEMBL4605982)	Inhibition of human GST-tagged USP20 expressed in Sf21 insect cells assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	18	ChEMBL_1973165 (CHEMBL4605983)	Inhibition of human GST-tagged USP21 CD (196 to 565 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	19	ChEMBL_1973166 (CHEMBL4605984)	Inhibition of human GST-tagged USP25 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	20	ChEMBL_1973167 (CHEMBL4605985)	Inhibition of human GST-tagged USP28 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	21	ChEMBL_1973168 (CHEMBL4605986)	Inhibition of human USP30 CD (57 to 517 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	22	ChEMBL_1973169 (CHEMBL4605987)	Inhibition of USP35 (unknown origin)
50010408	23	ChEMBL_1973170 (CHEMBL4605988)	Inhibition of human GST-tagged USP36 CD (81 to 461 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	24	ChEMBL_1973171 (CHEMBL4605989)	Inhibition of USP45 (unknown origin)
50010408	25	ChEMBL_1973172 (CHEMBL4605990)	Inhibition of human 6His-tagged CYLD expressed in baculovirus infected Sf21 insect cells assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	26	ChEMBL_1973173 (CHEMBL4605991)	Inhibition of human 6His-tagged UCHL1 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	27	ChEMBL_1973174 (CHEMBL4605992)	Inhibition of human GST-tagged UCHL5 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	28	ChEMBL_1973175 (CHEMBL4605993)	Inhibition of human GST-tagged BAP1 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	29	ChEMBL_1973176 (CHEMBL4605994)	Inhibition of human GST-tagged OTU1 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	30	ChEMBL_1973177 (CHEMBL4605995)	Inhibition of human GST-tagged OTUB2 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	31	ChEMBL_1973178 (CHEMBL4605996)	Inhibition of human 6His-tagged OTUD1 CD (270 to 481 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	32	ChEMBL_1973179 (CHEMBL4605997)	Inhibition of human GST-tagged OTUD3 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	33	ChEMBL_1973181 (CHEMBL4605999)	Inhibition of human His6-tagged OTUD6A expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	34	ChEMBL_1973182 (CHEMBL4606000)	Inhibition of human GST-tagged OTUD6B expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	35	ChEMBL_1973183 (CHEMBL4606001)	Inhibition of cezanne (unknown origin)
50010408	36	ChEMBL_1973184 (CHEMBL4606002)	Inhibition of human GST-tagged VCPIP CD (25 to 561 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	37	ChEMBL_1973185 (CHEMBL4606003)	Inhibition of human GST-tagged AMSH-LP CD (264 to 436 residues) expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	38	ChEMBL_1973186 (CHEMBL4606004)	Inhibition of human GST-tagged Ataxin-3 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	39	ChEMBL_1973187 (CHEMBL4606005)	Inhibition of human 6His-tagged Ataxin-3L expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	40	ChEMBL_1973188 (CHEMBL4606006)	Inhibition of human His6-tagged JOSD1 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	41	ChEMBL_1973189 (CHEMBL4606007)	Inhibition of human 6His-tagged JOSD2 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	42	ChEMBL_1973226 (CHEMBL4606044)	Inhibition of human His6-tagged USP14 expressed in Escherichia coli using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010408	43	ChEMBL_1973227 (CHEMBL4606045)	Inhibition of human 6His-tagged USP5 expressed in Escherichia coli assessed as cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ubiquitin-Rhodamine110-glycine as substrate by fluorescence based analysis
50010409	1	ChEMBL_1973275 (CHEMBL4606093)	Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as potentiation of DOX-induced cytotoxicity by measuring DOX IC50 at 1 uM incubated for 48 hrs by SRB assay (Rvb = 33.39 +/- 7.08 uM)
50010409	2	ChEMBL_1973278 (CHEMBL4606096)	Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as concentration required to show half of DOX IC50 incubated for 48 hrs by SRB assay
50010411	1	ChEMBL_1973328 (CHEMBL4606146)	Inhibition of human active MMP2 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured for 10 mins by fluorescence assay
50010411	2	ChEMBL_1973329 (CHEMBL4606147)	Inhibition of human active MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured for 10 mins by fluorescence assay
50010411	3	ChEMBL_1973330 (CHEMBL4606148)	Inhibition of human active MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured for 10 mins by fluorescence assay
50010411	4	ChEMBL_1973331 (CHEMBL4606149)	Inhibition of human active MMP13 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured for 10 mins by fluorescence assay
50010412	1	ChEMBL_1973332 (CHEMBL4606150)	Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluorescence based assay
50010412	2	ChEMBL_1973333 (CHEMBL4606151)	Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluorescence based assay
50010412	3	ChEMBL_1973334 (CHEMBL4606152)	Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluorescence based assay
50010412	4	ChEMBL_1973335 (CHEMBL4606153)	Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluorescence based assay
50010412	5	ChEMBL_1973336 (CHEMBL4606154)	Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins by fluorescence based assay
50010412	6	ChEMBL_1973375 (CHEMBL4606193)	Inhibition of HDAC1 in human MM96L cells assessed as activation of histone H4 acetylation at Lys5, Lys8, Lys12 and Lys16 residues by Western blot analysis
50010414	1	ChEMBL_1973422 (CHEMBL4606240)	Inhibition of human ERG
50010414	2	ChEMBL_1973435 (CHEMBL4606253)	Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	3	ChEMBL_1973436 (CHEMBL4606254)	Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	4	ChEMBL_1973437 (CHEMBL4606255)	Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	5	ChEMBL_1973438 (CHEMBL4606256)	Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	6	ChEMBL_1973439 (CHEMBL4606257)	Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	7	ChEMBL_1973440 (CHEMBL4606258)	Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010414	8	ChEMBL_1973441 (CHEMBL4606259)	Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates incubated for 15 to 30 mins by by LC-MS/MS analysis
50010415	1	ChEMBL_1973582 (CHEMBL4606400)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 15 mins by LC-MS/MS analysis
50010415	2	ChEMBL_1973583 (CHEMBL4606401)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 30 mins by LC-MS/MS analysis
50010415	3	ChEMBL_1973584 (CHEMBL4606402)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 45 mins by LC-MS/MS analysis
50010415	4	ChEMBL_1973585 (CHEMBL4606403)	Inhibition of human ERG expressed in HEK293 cells measured after 30 mins by FluxOR dye based FLIPR TETRA assay
50010416	1	ChEMBL_1973637 (CHEMBL4606455)	Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity of bocillin labeled protein pre-incubated for 20 mins before bocillin addition by SDS-PAGE analysis
50010417	1	ChEMBL_1973664 (CHEMBL4606482)	Inhibition of human Src expressed in Escherichia coli BL21 using Abltide peptide as substrate incubated for 20 to 40 mins by ELISA
50010417	2	ChEMBL_1973698 (CHEMBL4606516)	Inhibition of human ERG expressed in CHOK1 cells by patch-clamp electrophysiology assay
50010417	3	ChEMBL_1973675 (CHEMBL4606493)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins by LC-MS/MS analysis
50010417	4	ChEMBL_1973676 (CHEMBL4606494)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins by LC-MS/MS analysis
50010417	5	ChEMBL_1973674 (CHEMBL4606492)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 10 mins by LC-MS/MS analysis
50010417	6	ChEMBL_1973672 (CHEMBL4606490)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins by LC-MS/MS analysis
50010417	7	ChEMBL_1973673 (CHEMBL4606491)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 10 mins by LC-MS/MS analysis
50010420	1	ChEMBL_1973738 (CHEMBL4606556)	Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes
50010420	2	ChEMBL_1973737 (CHEMBL4606555)	Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes
50010420	3	ChEMBL_1973735 (CHEMBL4606553)	Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes measured after 60 mins by microbeta scintillation counting method
50010420	4	ChEMBL_1973736 (CHEMBL4606554)	Displacement of [3H]-N-alpha-methylhistamine from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes measured after 60 mins by microbeta scintillation counting method
50010420	5	ChEMBL_1973739 (CHEMBL4606557)	Displacement of [3H]UR-DE257 from Gsalphas-coupled human recombinant H2R expressed in baculovirus infected Sf9 insect cell membranes
50010420	6	ChEMBL_1973740 (CHEMBL4606558)	Displacement of [3H]pyrilamine from human recombinant H1R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS4
50010420	7	ChEMBL_1973742 (CHEMBL4606560)	Agonist activity at human H3R expressed in HEK293T-SP-FLAG-hH3R-CRE-CBR cells incubated for 5 hrs by luciferase reporter gene assay
50010420	8	ChEMBL_1973743 (CHEMBL4606561)	Inverse agonist activity at human H3R expressed in HEK293T-SP-FLAG-hH3R-CRE-CBR cells assessed as reduction in histamine-induced inhibition of forskolin stimulated luciferase activity by luciferase reporter gene assay
50010420	9	ChEMBL_1973730 (CHEMBL4606548)	Agonist activity at human H4R expressed in HEK293-SF-hH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay
50010420	10	ChEMBL_1973746 (CHEMBL4606564)	Inverse agonist activity at human H4R expressed in HEK293-SF-hH4R-His6-CRE-Luc cells assessed as reduction in histamine-induced inhibition of forskolin stimulated luciferase activity by luciferase reporter gene assay
50010420	11	ChEMBL_1973747 (CHEMBL4606565)	Agonist activity at human H4R expressed in HEK293 cells co-expressing ELucC/ELucN-beta-arrestin2 assessed as induction of beta-arrestin recruitment by luciferase reporter gene assay
50010420	12	ChEMBL_1973748 (CHEMBL4606566)	Inverse agonist activity at human H4R expressed in HEK293 cells co-expressing ELucC/ELucN-beta-arrestin2 assessed as inhibition of histamine-induced beta-arrestin recruitment by luciferase reporter gene assay
50010420	13	ChEMBL_1973745 (CHEMBL4606563)	Agonist activity at mouse H4R expressed in HEK293-SF-mH4R-His6-CRE-Luc cells incubated for 5 hrs by luciferase reporter gene assay
50010420	14	ChEMBL_1973750 (CHEMBL4606568)	Inverse agonist activity at mouse H4R expressed in HEK293-SF-mH4R-His6-CRE-Luc cells assessed as reduction in histamine-induced inhibition of forskolin stimulated luciferase activity by luciferase reporter gene assay
50010420	15	ChEMBL_1973751 (CHEMBL4606569)	Agonist activity at mouse H4R expressed in HEK293 cells co-expressing ELucC/ELucN-beta-arrestin2 assessed as induction of beta-arrestin recruitment by luciferase reporter gene assay
50010420	16	ChEMBL_1973752 (CHEMBL4606570)	Antagonist activity at mouse H4R expressed in HEK293 cells co-expressing ELucC/ELucN-beta-arrestin2 assessed as inhibition of histamine-induced beta-arrestin recruitment preincubated for 15 mins followed by histamine addition by luciferase reporter gene assay
50010420	17	ChEMBL_1973753 (CHEMBL4606571)	Binding affinity to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	18	ChEMBL_1973754 (CHEMBL4606572)	Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	19	ChEMBL_1973762 (CHEMBL4606580)	Binding affinity to recombinant human N- terminal NLuc-tagged H4R expressed in HEK293T cells by flow cytometry
50010420	20	ChEMBL_1973763 (CHEMBL4606581)	Binding affinity to recombinant mouse N- terminal NLuc-tagged H4R expressed in HEK293T cells by flow cytometry
50010420	21	ChEMBL_1973765 (CHEMBL4606583)	Binding affinity to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	22	ChEMBL_1973766 (CHEMBL4606584)	Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells assessed as dissociation constant measured after 30 mins in presence of thioperamide by furimazine substrate based BRET assay
50010420	23	ChEMBL_1973767 (CHEMBL4606585)	Binding affinity to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells assessed as dissociation constant measured after 30 mins in presence of thioperamide by furimazine substrate based BRET assay
50010420	24	ChEMBL_1973768 (CHEMBL4606586)	Binding affinity to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells assessed as dissociation constant measured after 30 mins in presence of thioperamide by furimazine substrate based BRET assay
50010420	25	ChEMBL_1973778 (CHEMBL4606596)	Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	26	ChEMBL_1973779 (CHEMBL4606597)	Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	27	ChEMBL_1973780 (CHEMBL4606598)	Inhibition of UR-DEBa242 binding to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay
50010420	28	ChEMBL_1973781 (CHEMBL4606599)	Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS4 measured after 60 mins by microbeta scintillation counting method
50010420	29	ChEMBL_1973782 (CHEMBL4606600)	Displacement of clobenpropit-BODIPY-630/650 from recombinant human NLuc-fused H3R expressed in HEK293T cells by Nano-BRET assay
50010420	30	ChEMBL_1973784 (CHEMBL4606602)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant H3R expressed in human SK-N-MC cell membranes
50010420	31	ChEMBL_1973783 (CHEMBL4606601)	Displacement of [3H]-N-alpha-methylhistamine from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes
50010420	32	ChEMBL_1973785 (CHEMBL4606603)	Displacement of clobenpropit-BODIPY-630/650 from recombinant human NLuc-fused H4R expressed in HEK293T cells by Nano-BRET assay
50010420	33	ChEMBL_1973786 (CHEMBL4606604)	Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS19 measured after 60 mins by microbeta scintillation counting method
50010420	34	ChEMBL_1973787 (CHEMBL4606605)	Displacement of [3H]-histamine from human recombinant H4R stably expressed in human SK-N-MC cell homogenates
50010420	35	ChEMBL_1973788 (CHEMBL4606606)	Displacement of [3H]-histamine from human recombinant H4R stably expressed in human SK-N-MC cell membranes
50010420	36	ChEMBL_1973789 (CHEMBL4606607)	Displacement of [3H]-histamine from human recombinant H4R expressed in HEK293T cell homogenates
50010420	37	ChEMBL_1973790 (CHEMBL4606608)	Displacement of UR-DEBa176 from human recombinant H4R expressed in HEK293T-SF-His6-CRE-Luc cells
50010420	38	ChEMBL_1973791 (CHEMBL4606609)	Displacement of [3H]-histamine from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS19
50010420	39	ChEMBL_1973792 (CHEMBL4606610)	Displacement of UR-DEBa176 from mouse recombinant H4R expressed in HEK293T-SF-His6-CRE-Luc cells
50010420	40	ChEMBL_1973794 (CHEMBL4606612)	Agonist activity at mouse recombinant H4R expressed in HEK293T cells by beta-arrestin recruitment assay
50010421	1	ChEMBL_1973798 (CHEMBL4606616)	Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expressed in Escherichia coli OD2N by two-dimensional 1H/15N HSQC NMR spectroscopy
50010422	1	ChEMBL_1973870 (CHEMBL4606688)	Inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010422	2	ChEMBL_1973871 (CHEMBL4606689)	Inhibition of human recombinant ALDH1A2 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010422	3	ChEMBL_1973872 (CHEMBL4606690)	Inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010422	4	ChEMBL_1973866 (CHEMBL4606684)	Competitive inhibition of human recombinant ALDH1A1 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010422	5	ChEMBL_1973874 (CHEMBL4606692)	Competitive inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010422	6	ChEMBL_1973875 (CHEMBL4606693)	Competitive inhibition of human recombinant ALDH1A2 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control
50010423	1	ChEMBL_1973880 (CHEMBL4606698)	Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucleotide DNA substrate and SAM incubated for 30 mins by kinetic fluorogenic assay
50010423	2	ChEMBL_1973876 (CHEMBL4606694)	Inhibition of human DNMT3B using [3H]-SAM
50010423	3	ChEMBL_1973879 (CHEMBL4606697)	Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucleotide DNA substrate and SAM incubated for 30 mins by kinetic fluorogenic assay
50010423	4	ChEMBL_1973881 (CHEMBL4606699)	Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay
50010424	1	ChEMBL_1973882 (CHEMBL4606700)	Inhibition of human CA1 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010424	2	ChEMBL_1973883 (CHEMBL4606701)	Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010424	3	ChEMBL_1973884 (CHEMBL4606702)	Inhibition of human CA7 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010424	4	ChEMBL_1973885 (CHEMBL4606703)	Inhibition of human CA9 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010424	5	ChEMBL_1973886 (CHEMBL4606704)	Inhibition of human CA12 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010424	6	ChEMBL_1973887 (CHEMBL4606705)	Inhibition of human CA14 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay
50010425	1	ChEMBL_1973895 (CHEMBL4606713)	Inhibition of recombinant human N-terminal GST-tagged EGFR (668 to end residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in EGF-stimulated EGFR phosphorylation preincubated for 2 hrs followed by EGF stimulation and measured after 30 mins by TMB peroxidase substrate based assay
50010426	1	ChEMBL_1976997 (CHEMBL4610132)	Inhibition of HDAC (unknown origin)
50010426	2	ChEMBL_1976995 (CHEMBL4610130)	Inhibition of HDAC8 (unknown origin)
50010426	3	ChEMBL_1977001 (CHEMBL4610136)	Inhibition of HDAC6 (unknown origin)
50010426	4	ChEMBL_1977002 (CHEMBL4610137)	Inhibition of MMP2 (unknown origin)
50010426	5	ChEMBL_1976999 (CHEMBL4610134)	Inhibition of HDAC1 (unknown origin)
50010426	6	ChEMBL_1977000 (CHEMBL4610135)	Inhibition of HDAC2 (unknown origin)
50010426	7	ChEMBL_1976996 (CHEMBL4610131)	Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate after 30 mins by fluorescence assay
50010427	1	ChEMBL_1977029 (CHEMBL4610164)	Inhibition of xanthine oxidase (unknown origin)
50010427	2	ChEMBL_1977030 (CHEMBL4610165)	Inhibition of xanthine dehydrogenase (unknown origin)
50010427	3	ChEMBL_1977031 (CHEMBL4610166)	Inhibition of OAT1 (unknown origin)
50010427	4	ChEMBL_1977032 (CHEMBL4610167)	Inhibition of OAT3 (unknown origin)
50010427	5	ChEMBL_1977033 (CHEMBL4610168)	Inhibition of OAT4 (unknown origin)
50010427	6	ChEMBL_1977034 (CHEMBL4610169)	Inhibition of URAT1 (unknown origin)
50010427	7	ChEMBL_1977039 (CHEMBL4610174)	Inhibition of human URAT1
50010427	8	ChEMBL_1977038 (CHEMBL4610173)	Inhibition of human xanthine oxidase
50010427	9	ChEMBL_1977040 (CHEMBL4610175)	Inhibition of human OAT1
50010427	10	ChEMBL_1977041 (CHEMBL4610176)	Inhibition of human OAT3
50010427	11	ChEMBL_1977042 (CHEMBL4610177)	Inhibition of human PNP
50010427	12	ChEMBL_1977043 (CHEMBL4610178)	Inhibition of YES (unknown origin)
50010428	1	ChEMBL_1977047 (CHEMBL4610182)	Binding affinity to APC (unknown origin) assessed as inhibition of APC-Asef protein-protein interaction after 2 hrs by fluorescence polarization immunoassay
50010428	2	ChEMBL_1977048 (CHEMBL4610183)	Binding affinity to APC (unknown origin) by isothermal titration calorimetry assay
50010429	1	ChEMBL_1977103 (CHEMBL4610238)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in formation of 4-quinolinol using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition and measured after 20 mins by fluorescence based microplate reader assay
50010430	1	ChEMBL_1977169 (CHEMBL4610304)	Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in bacterial expression system using ZFR-AMC as substrate measured for 30 mins by fluorimetric assay
50010430	2	ChEMBL_1977170 (CHEMBL4610305)	Inhibition of recombinant Plasmodium falciparum falcipain-3 expressed in bacterial expression system using ZFR-AMC as substrate measured for 30 mins by fluorimetric assay
50010431	1	ChEMBL_1977171 (CHEMBL4610306)	Inhibition of recombinant human biotinylated VEGF-165A expressed in HEK293 cells binding to immobilized recombinant full length human FC-tagged NRP1 (chimera active) expressed in HEK293 cells using TMB as substrate incubated for 2 hrs followed by substrate addition by competitive ELISA
50010431	2	ChEMBL_1977174 (CHEMBL4610309)	Inhibition of biotinylated VEGFR1 binding to NRP1 (unknown origin) measured after 2 hrs chemiluminescence analysis
50010433	1	ChEMBL_1977177 (CHEMBL4610312)	Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay
50010433	2	ChEMBL_1977178 (CHEMBL4610313)	Agonist activity at human beta1 adrenoreceptor overexpressed in human HEK293 cells assessed as cAMP accumulation incubated for 60 mins by HTRF assay
50010434	1	ChEMBL_1977185 (CHEMBL4610320)	Binding affinity to CBX1 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	2	ChEMBL_1977186 (CHEMBL4610321)	Binding affinity to CBX2 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	3	ChEMBL_1977187 (CHEMBL4610322)	Binding affinity to CBX4 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	4	ChEMBL_1977188 (CHEMBL4610323)	Binding affinity to CBX6 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	5	ChEMBL_1977189 (CHEMBL4610324)	Binding affinity to CBX7 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	6	ChEMBL_1977190 (CHEMBL4610325)	Binding affinity to CBX8 (unknown origin) assessed as dissociation constant by fluorescence polarization analysis
50010434	7	ChEMBL_1977191 (CHEMBL4610326)	Inhibition of CBX6 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay
50010434	8	ChEMBL_1977192 (CHEMBL4610327)	Inhibition of CBX7 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay
50010434	9	ChEMBL_1977193 (CHEMBL4610328)	Inhibition of CBX8 (unknown origin) assessed as inhibition of CBX4 disruption by competitive FP assay
50010435	1	ChEMBL_1977226 (CHEMBL4610361)	Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins followed by further incubation with LEDGF/p75 for 1 hr by Alphascreen assay
50010436	1	ChEMBL_1977247 (CHEMBL4610382)	Inhibition of human DYRK1A transfected in HEK293T cells co-transfected with Renilla plasmid, pGL3-NFAT and NFATc1 assessed as derepression of NFAT-dependent luciferase activity measured after 48 hrs by luciferase assay
50010436	2	ChEMBL_1977282 (CHEMBL4610417)	Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system by Kinomescan method
50010436	3	ChEMBL_1977283 (CHEMBL4610418)	Binding affinity to wild-type human full length MELK (M1 to V651 residues) expressed in bacterial expression system by Kinomescan method
50010437	1	ChEMBL_1977290 (CHEMBL4610425)	Binding affinity to GAK (unknown origin)
50010437	2	ChEMBL_1977291 (CHEMBL4610426)	Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 residues) expressed in insect cells incubated for 1 hr by Lanthascreen assay
50010438	1	ChEMBL_1977295 (CHEMBL4610430)	Inhibition of HIV-1 integrase strand transfer activity
50010439	1	ChEMBL_1977316 (CHEMBL4610451)	Inhibition of recombinant human Cathepsin K using Z-Phe-Arg-pNA as substrate preincubated with enzyme for 90 mins followed by substrate addition by fluorimetry analysis
50010439	2	ChEMBL_1977317 (CHEMBL4610452)	Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay
50010439	3	ChEMBL_1977319 (CHEMBL4610454)	Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay
50010439	4	ChEMBL_1977321 (CHEMBL4610456)	Inhibition of recombinant human hexaHis-tagged MGL expressed in Escherichia coli BL21 (DE3) using fluorogenic AHMMCE as substrate preincubated for 1 hr followed by substrate addition by fluorimetric assay
50010439	5	ChEMBL_1977332 (CHEMBL4610467)	Inhibition of rat NAAA
50010439	6	ChEMBL_1977333 (CHEMBL4610468)	Inhibition of NAAA (unknown origin)
50010440	1	ChEMBL_1977334 (CHEMBL4610469)	Modulatory activity of gamma secretase in human SKNBE2 cells assessed as decrease in Abeta42 levels incubated for 6 hrs by sandwich ELISA
50010441	1	ChEMBL_1977346 (CHEMBL4610481)	Binding affinity to recombinant human N-terminal His-tagged BRD4 BD1 (44 to 170 residues) expressed in Escherichia coli using H4K5AcK8Ac as substrate measured after 30 mins by AlphaScreen assay
50010441	2	ChEMBL_1977347 (CHEMBL4610482)	Binding affinity to recombinant human N-terminal His-tagged BRD4 BD2 (349 to 460 residues) expressed in Escherichia coli measured after 30 mins by AlphaScreen assay
50010441	3	ChEMBL_1977430 (CHEMBL4610565)	Inhibition of BRD4 BD1 (unknown origin)
50010441	4	ChEMBL_1977431 (CHEMBL4610566)	Inhibition of BRD4 BD2 (unknown origin)
50010443	1	ChEMBL_1977444 (CHEMBL4610579)	Inhibition of human liver GPa using Glc-1-P as substrate incubated for 15 mins
50010444	1	ChEMBL_1977466 (CHEMBL4610601)	Inhibition of KDM4C (unknown origin) using methylated H3 peptide as substrate by chemiluminescence assay
50010444	2	ChEMBL_1977475 (CHEMBL4610610)	Inhibition of KDM4A (unknown origin)
50010444	3	ChEMBL_1977476 (CHEMBL4610611)	Inhibition of KDM4C (unknown origin)
50010445	1	ChEMBL_1977478 (CHEMBL4610613)	Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50010445	2	ChEMBL_1977480 (CHEMBL4610615)	Positive allosteric modulation of rat muscarinic M4 receptor
50010449	1	ChEMBL_1977508 (CHEMBL4610643)	Inhibition of mTOR (unknown origin)
50010449	2	ChEMBL_1977509 (CHEMBL4610644)	Inhibition of PI3Kalpha (unknown origin)
50010450	1	ChEMBL_1977524 (CHEMBL4610659)	Inhibition of HDAC in human A2780 cells
50010450	2	ChEMBL_1977526 (CHEMBL4610661)	Inhibition of HDAC in human Cal27 cells
50010450	3	ChEMBL_1977523 (CHEMBL4610658)	Inhibition of recombinant human HDAC2
50010450	4	ChEMBL_1977522 (CHEMBL4610657)	Inhibition of recombinant human HDAC4
50010450	5	ChEMBL_1977521 (CHEMBL4610656)	Inhibition of recombinant human HDAC6
50010450	6	ChEMBL_1977520 (CHEMBL4610655)	Inhibition of recombinant human HDAC8
50010451	1	ChEMBL_1977556 (CHEMBL4610691)	Positive allosteric modulation of rat muscarinic M4 receptor
50010451	2	ChEMBL_1977554 (CHEMBL4610689)	Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobilization
50010452	1	ChEMBL_1977564 (CHEMBL4610699)	Agonist activity at LPA1R (unknown origin) by [35S]GTPgammaS binding assay
50010452	2	ChEMBL_1977565 (CHEMBL4610700)	Agonist activity at LPA2 (unknown origin) by [35S]GTPgammaS binding assay
50010452	3	ChEMBL_1977566 (CHEMBL4610701)	Agonist activity at recombinant human full-length LPA1 receptor expressed in dhfr- deficient CHO cells assessed as increase in intracellular calcium flux measured for 1 min by fluo-3AM dye based FLIPR assay
50010452	4	ChEMBL_1977569 (CHEMBL4610704)	Agonist activity at LPA1 receptor (unknown origin) stably expressed in rat RH7777 cells assessed as increase in intracellular calcium level by Fluo-4 NW dye based fluorescence assay
50010452	5	ChEMBL_1977570 (CHEMBL4610705)	Binding affinity to LPA1 receptor (unknown origin) by cell-based backscattering interferometry
50010454	1	ChEMBL_1977610 (CHEMBL4610745)	Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assay
50010454	2	ChEMBL_1977611 (CHEMBL4610746)	Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assay
50010454	3	ChEMBL_1977612 (CHEMBL4610747)	Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 by TR-FRET assay
50010454	4	ChEMBL_1977615 (CHEMBL4610750)	Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay
50010454	5	ChEMBL_1977616 (CHEMBL4610751)	Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516 by TR-FRET assay
50010459	1	ChEMBL_1977619 (CHEMBL4610754)	Inhibition of human ERG
50010462	1	ChEMBL_1977638 (CHEMBL4610773)	Inhibition of recombinant GST-tagged BRD4 BD1 (44 to 168 residues) (unknown origin) incubated for 30 mins by alphascreen assay
50010462	2	ChEMBL_1977640 (CHEMBL4610775)	Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assay
50010464	1	ChEMBL_1977650 (CHEMBL4610785)	Binding affinity to mortalin substrate binding domain (unknown origin)
50010465	1	ChEMBL_1977655 (CHEMBL4610790)	Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay
50010465	2	ChEMBL_1977653 (CHEMBL4610788)	Inhibition of recombinant human N-terminal GST-tagged JAK1 (850 to 1154 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay
50010465	3	ChEMBL_1977652 (CHEMBL4610787)	Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay
50010465	4	ChEMBL_1977656 (CHEMBL4610791)	Inhibition of recombinant human N-terminal GST-tagged TYK2 (871 to 1187 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay
50010465	5	ChEMBL_1977654 (CHEMBL4610789)	Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay
50010466	1	ChEMBL_1977668 (CHEMBL4610803)	Displacement of [3H]ifenprodil from human recombinant GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method
50010466	2	ChEMBL_1977670 (CHEMBL4610805)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method
50010466	3	ChEMBL_1977671 (CHEMBL4610806)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins in the presence of sigma1 receptor ligand (+)-pentazocine by scintillation counting method
50010467	1	ChEMBL_1977674 (CHEMBL4610809)	Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins followed by substrate addition and measured after 2 mins by EIA assay
50010467	2	ChEMBL_1977675 (CHEMBL4610810)	Inhibition of human COX2 using arachidonic acid as substrate incubated for 10 mins followed by substrate addition and measured after 2 mins by EIA assay
50010468	1	ChEMBL_1977730 (CHEMBL4610865)	Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentiation by measuring alkaline phosphatase activity incubated for 72 hrs
50010468	2	ChEMBL_1977735 (CHEMBL4610870)	Inhibition of human ERG
50010468	3	ChEMBL_1977742 (CHEMBL4610877)	Binding affinity to human SMO
50010468	4	ChEMBL_1977743 (CHEMBL4610878)	Binding affinity to mouse SMO
50010468	5	ChEMBL_1977763 (CHEMBL4610898)	Inhibition of CYP3A4 (unknown origin)
50010468	6	ChEMBL_1977764 (CHEMBL4610899)	Inhibition of CYP2D6 (unknown origin)
50010468	7	ChEMBL_1977765 (CHEMBL4610900)	Inhibition of CYP2C9 (unknown origin)
50010468	8	ChEMBL_1977766 (CHEMBL4610901)	Inhibition of CYP2C19 (unknown origin)
50010468	9	ChEMBL_1977767 (CHEMBL4610902)	Inhibition of CYP1A2 (unknown origin)
50010468	10	ChEMBL_1977773 (CHEMBL4610908)	Displacement of BODIPY-labeled cyclopamine from human SMO transfected in human HeLa cells by competition binding assay
50010468	11	ChEMBL_1977774 (CHEMBL4610909)	Displacement of BODIPY-labeled cyclopamine from mouse SMO transfected in human HeLa cells by competition binding assay
50010468	12	ChEMBL_1977776 (CHEMBL4610911)	Inhibition of SMO-mediated hedgehog signalling pathway in human HPEM cells by luciferase reporter gene assay
50010469	1	ChEMBL_1977789 (CHEMBL4610924)	Inhibition of Aurora B (unknown origin) after 1 hr in presence of ATP by Kinase-Glo reagent-based luminescence assay
50010469	2	ChEMBL_1977787 (CHEMBL4610922)	Inhibition of Aurora A (unknown origin) after 1 hr in presence of ATP by Kinase-Glo reagent-based luminescence assay
50010469	3	ChEMBL_1977810 (CHEMBL4610945)	Inhibition of Aurora B (unknown origin)
50010469	4	ChEMBL_1977811 (CHEMBL4610946)	Inhibition of Aurora A (unknown origin)
50010469	5	ChEMBL_1977812 (CHEMBL4610947)	Inhibition of N-terminal His6-tagged Aurora B (1 to 403 residues) (unknown origin) expressed in baculovirus expression system
50010469	6	ChEMBL_1977813 (CHEMBL4610948)	Inhibition of N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system
50010469	7	ChEMBL_1977814 (CHEMBL4610949)	Inhibition of recombinant full-length His-tagged human Aurora A expressed in baculovirus expression system
50010469	8	ChEMBL_1977815 (CHEMBL4610950)	Inhibition of recombinant full-length His-tagged human Aurora B expressed in baculovirus expression system
50010469	9	ChEMBL_1977816 (CHEMBL4610951)	Inhibition of recombinant full-length His-tagged human Aurora C expressed in baculovirus expression system
50010472	1	ChEMBL_1977817 (CHEMBL4610952)	Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr by fluorescence based assay
50010472	2	ChEMBL_1977818 (CHEMBL4610953)	Inhibition of NOTUM (unknown origin) transfected in human HEK293T cells harbouring TCF/LEF luciferase reporter gene assessed as activation of Wnt signalling pathway incubated for 10 mins followed by wnt-3A addition and further incubated for 1 hr by steady-glo luciferase assay
50010472	3	ChEMBL_1977828 (CHEMBL4610963)	Inhibition of CYP1A2 (unknown origin)
50010472	4	ChEMBL_1977829 (CHEMBL4610964)	Inhibition of CYP2B6 (unknown origin)
50010472	5	ChEMBL_1977830 (CHEMBL4610965)	Inhibition of CYP2C9 (unknown origin)
50010472	6	ChEMBL_1977831 (CHEMBL4610966)	Inhibition of CYP2D6 (unknown origin)
50010472	7	ChEMBL_1977832 (CHEMBL4610967)	Inhibition of CYP3A4 (unknown origin)
50010474	1	ChEMBL_1977878 (CHEMBL4611013)	Inhibition of recombinant mouse N-terminal polyHis-tagged ATX-beta (Ser49 to Ile862 residues) expressed in HEK293 cells assessed as reduction in cleavage of LPC into LPA and choline using LPC(16:0) as substrate by Amplex red reagent based fluorescence assay
50010475	1	ChEMBL_1977908 (CHEMBL4611043)	Antagonist activity at capsaicin-induced human TRPV1 expressed in CHOK1 cells by FLIPR assay
50010475	2	ChEMBL_1977912 (CHEMBL4611047)	Antagonist activity at capsaicin-induced mouse TRPV1 expressed in CHOK1 cells by FLIPR assay
50010476	1	ChEMBL_1977916 (CHEMBL4611051)	Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 hrs by ELISA
50010476	2	ChEMBL_1977918 (CHEMBL4611053)	Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by ELISA
50010476	3	ChEMBL_1977921 (CHEMBL4611056)	Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 6 hrs in absence of actin polymerization inhibitor cytochalasin D by ELISA
50010476	4	ChEMBL_1977922 (CHEMBL4611057)	Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion preincubated with actin polymerization inhibitor cytochalasin D followed by incubation with compound for 6 hrs by ELISA
50010477	1	ChEMBL_1977925 (CHEMBL4611060)	Inhibition of human soluble epoxide hydrolase by kinetic fluorescent assay
50010477	2	ChEMBL_1977927 (CHEMBL4611062)	Inhibition of human soluble epoxide hydrolase using cyano(2methoxy naphthalen-6-yl)methyl trans-(3-phenyloxyran-2-yl)methylcarbonate as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorescence based assay
50010477	3	ChEMBL_1977928 (CHEMBL4611063)	Inhibition of human soluble epoxide hydrolase using CMNPC as substrate by fluorescence based assay
50010478	1	ChEMBL_1977957 (CHEMBL4611092)	Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay
50010479	1	ChEMBL_1977965 (CHEMBL4611100)	Reversible binding affinity to full length human N-terminal His6-tagged PDIA1 alpha domain (18 to 134 residues) expressed in Escherichia coli BL21 Gold (DE3) by isothermal titration calorimetry
50010479	2	ChEMBL_1977964 (CHEMBL4611099)	Irreversible inhibition of bovine PDI
50010481	1	ChEMBL_1977989 (CHEMBL4611124)	Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of mouse anti-DNP IgE-stimulated beta-hexosaminidase release preincubated for 15 mins followed by mouse anti-DNP IgE stimulation and measured after 3 hrs by 4-nitropheny1-2-acetamide-2-deoxy-beta-glucopyranoside substrate based colorimetric method
50010481	2	ChEMBL_1977990 (CHEMBL4611125)	Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of ionomycin-stimulated beta-hexosaminidase release preincubated for 15 mins followed by ionomycin stimulation and measured after 3 hrs by 4-nitropheny1-2-acetamide-2-deoxy-beta-glucopyranoside substrate based colorimetric method
50010481	3	ChEMBL_1977991 (CHEMBL4611126)	Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of anti-DNP IgE-stimulated TNFalpha release preincubated for 15 mins followed by mouse anti-DNP IgE stimulation and measured after 3 hrs by ELISA
50010481	4	ChEMBL_1977988 (CHEMBL4611123)	Inhibition of PKCbeta in rat RBL2H3 cells assessed as inhibition of ionomycin-stimulated TNFalpha release preincubated for 15 mins followed by ionomycin stimulation and measured after 3 hrs by ELISA
50010481	5	ChEMBL_1977992 (CHEMBL4611127)	Inhibition of recombinant full-length N-temrinal GST-tagged human PKC beta1 expressed in baculovirus infected Sf9 cells using TMB as substrate incubated for 4.5 hrs by colorimetric analysis
50010481	6	ChEMBL_1977993 (CHEMBL4611128)	Inhibition of PKC in rat RBL2H3 cells assessed as inhibition of mouse anti-DNP IgE-stimulated beta-hexosaminidase release preincubated for 15 mins followed by mouse anti-DNP IgE stimulation and measured after 3 hrs by 4-nitropheny1-2-acetamide-2-deoxy-beta-glucopyranoside substrate based colorimetric method
50010481	7	ChEMBL_1977994 (CHEMBL4611129)	Inhibition of PKC in rat RBL2H3 cells assessed as inhibition of ionomycin-stimulated beta-hexosaminidase release preincubated for 15 mins followed by ionomycin stimulation and measured after 3 hrs by 4-nitropheny1-2-acetamide-2-deoxy-beta-glucopyranoside substrate based colorimetric method
50010481	8	ChEMBL_1977995 (CHEMBL4611130)	Inhibition of PKC in rat RBL2H3 cells assessed as inhibition of anti-DNP IgE-stimulated TNFalpha release preincubated for 15 mins followed by mouse anti-DNP IgE stimulation and measured after 3 hrs by ELISA
50010481	9	ChEMBL_1977996 (CHEMBL4611131)	Inhibition of PKC in rat RBL2H3 cells assessed as inhibition of ionomycin-stimulated TNFalpha release preincubated for 15 mins followed by ionomycin stimulation and measured after 3 hrs by ELISA
50010483	1	ChEMBL_1978000 (CHEMBL4611135)	Inhibition of human LDHA using NADH and pyruvate by microplate reader based assay
50010483	2	ChEMBL_1978001 (CHEMBL4611136)	Binding affinity at human LDHA assessed as dissociation constant by isothermal titration calorimetry
50010484	1	ChEMBL_1978041 (CHEMBL4611176)	Inhibition of BTK (unknown origin)
50010484	2	ChEMBL_1978042 (CHEMBL4611177)	Inhibition of BTK C481S mutant (unknown origin)
50010485	1	ChEMBL_1978094 (CHEMBL4611229)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins by Ellman's method
50010485	2	ChEMBL_1978095 (CHEMBL4611230)	Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins by Ellman's method
50010485	3	ChEMBL_1978097 (CHEMBL4611232)	Inhibition of MAO-B in Wistar rat liver using 4-trifluoromethyl benzylamine as substrate preincubated for 20 mins followed by substrate addition measured after 90 mins by microplate reader assay
50010486	3	ChEMBL_1978135 (CHEMBL4611270)	Antagonist activity at human CCR6
50010486	4	ChEMBL_1978136 (CHEMBL4611271)	Antagonist activity at human CXCR5
50010486	5	ChEMBL_1978137 (CHEMBL4611272)	Antagonist activity at human CXCR4
50010486	6	ChEMBL_1978151 (CHEMBL4611286)	Inhibition of CXCR6-mediated cell invasion in human SKHEP1 cells after 72 hrs by transwell assay
50010487	1	ChEMBL_1978166 (CHEMBL4611301)	Inhibition of recombinant human IDO1 expressed in Escherichia coli
50010487	2	ChEMBL_1978167 (CHEMBL4611302)	Inhibition of IFNgamma-stimulated IDO1 in human HeLa cells
50010487	3	ChEMBL_1978170 (CHEMBL4611305)	Inhibition of human IDO1
50010488	1	ChEMBL_1978256 (CHEMBL4611391)	Transactivation of GAL4-fused human PPARdelta expressed in African green monkey CV1 cells by luciferase reporter gene assay
50010488	2	ChEMBL_1978259 (CHEMBL4611394)	Transactivation of GAL4-fused human PPARalpha expressed in African green monkey CV1 cells by luciferase reporter gene assay
50010488	3	ChEMBL_1978260 (CHEMBL4611395)	Transactivation of GAL4-fused human PPARgamma expressed in African green monkey CV1 cells by luciferase reporter gene assay
50010488	4	ChEMBL_1978265 (CHEMBL4611400)	Inhibition of human ERG expressed in HEK293 cells by semi-automatic patch clamp assay
50010489	1	ChEMBL_1978282 (CHEMBL4611417)	Displacement of [3H]astemizole from human ERG
50010489	2	ChEMBL_1978283 (CHEMBL4611418)	Inhibition of CYP3A4 (unknown origin)
50010489	3	ChEMBL_1978284 (CHEMBL4611419)	Inhibition of CYP2C19 (unknown origin)
50010489	4	ChEMBL_1978278 (CHEMBL4611413)	Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin) by cell based radioligand competitive binding analysis
50010489	5	ChEMBL_1978280 (CHEMBL4611415)	Displacement of [3H]mesulergine from 5-HT2C receptor (unknown origin) by cell based radioligand competitive binding analysis
50010489	6	ChEMBL_1978281 (CHEMBL4611416)	Displacement of [3H]imipramine from SERT receptor (unknown origin) by cell based radioligand competitive binding analysis
50010490	1	ChEMBL_1978300 (CHEMBL4611435)	Inhibition of human ERG
50010490	2	ChEMBL_1978299 (CHEMBL4611434)	Inhibition of CYP1A2 (unknown origin)
50010490	3	ChEMBL_1978298 (CHEMBL4611433)	Inhibition of CYP2B6 (unknown origin)
50010490	4	ChEMBL_1978297 (CHEMBL4611432)	Inhibition of CYP2C19 (unknown origin)
50010490	5	ChEMBL_1978296 (CHEMBL4611431)	Inhibition of CYP2C8 (unknown origin)
50010490	6	ChEMBL_1978295 (CHEMBL4611430)	Inhibition of CYP2C9 (unknown origin)
50010490	7	ChEMBL_1978294 (CHEMBL4611429)	Inhibition of CYP2D6 (unknown origin)
50010490	8	ChEMBL_1978293 (CHEMBL4611428)	Inhibition of CYP3A4 (unknown origin)
50010490	9	ChEMBL_1978290 (CHEMBL4611425)	Binding affinity to Keap1 (unknown origin) by SPR assay
50010490	10	ChEMBL_1978289 (CHEMBL4611424)	Induction of Nrf2 nuclear translocation in human U2OS cells
50010490	11	ChEMBL_1978319 (CHEMBL4611454)	Activation of Nrf2 in human spinal cord astrocytes assessed as increase in glutathione level after 20 hrs
50010491	1	ChEMBL_1978343 (CHEMBL4611478)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method
50010491	2	ChEMBL_1978345 (CHEMBL4611480)	Inhibition of BuChE (unknown origin)
50010493	1	ChEMBL_1978370 (CHEMBL4611505)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50010493	2	ChEMBL_1978371 (CHEMBL4611506)	Inhibition of equine serum BChE using butyrylthiocholine as substrate by Ellman's method
50010494	1	ChEMBL_1978397 (CHEMBL4611532)	Inhibition of xanthine oxidase (unknown origin)
50010494	2	ChEMBL_1978399 (CHEMBL4611534)	Inhibition of NLRP3 in human THP1 cells assessed as inhibition of MSU-induced IL-1beta production
50010495	1	ChEMBL_1978439 (CHEMBL4611574)	Inhibition of human PTP1B
50010497	1	ChEMBL_1978446 (CHEMBL4611581)	Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50010497	2	ChEMBL_1978445 (CHEMBL4611580)	Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50010497	3	ChEMBL_1978444 (CHEMBL4611579)	Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50010497	4	ChEMBL_1978443 (CHEMBL4611578)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells by using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50010500	1	ChEMBL_1978476 (CHEMBL4611611)	Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 catalytic domain (110 to 476 residues) expressed in baculovirus expression system incubated for 60 mins by Lanthascreen assay
50010501	1	ChEMBL_1978507 (CHEMBL4611642)	Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry
50010502	1	ChEMBL_1978551 (CHEMBL4611686)	Agonist activity at human GPR81 overexpressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production
50010502	2	ChEMBL_1978553 (CHEMBL4611688)	Displacement of [125I]-ghrelin from human GHS-R1a stably expressed in HEK cell membrane measured after 60 mins by gamma counter method
50010502	3	ChEMBL_1978547 (CHEMBL4611682)	Agonist activity at human GPR109A receptor
50010503	1	ChEMBL_1978608 (CHEMBL4611743)	Inhibition of soluble epoxide hydrolase (unknown origin)
50010503	2	ChEMBL_1978609 (CHEMBL4611744)	Inhibition of recombinant human soluble epoxide hydrolase
50010503	3	ChEMBL_1978610 (CHEMBL4611745)	Inhibition of recombinant human soluble epoxide hydrolase expressed in HEK293 cells
50010503	4	ChEMBL_1978611 (CHEMBL4611746)	Inhibition of soluble epoxide hydrolase in human whole blood
50010503	5	ChEMBL_1978612 (CHEMBL4611747)	Inhibition of PAD4 (unknown origin)
50010503	6	ChEMBL_1978613 (CHEMBL4611748)	Inhibition of PAD4 (unknown origin) in presence of 2 mM Ca
50010503	7	ChEMBL_1978617 (CHEMBL4611752)	Inhibition of recombinant GST-tagged human DDR1 by FRET assay
50010503	8	ChEMBL_1978618 (CHEMBL4611753)	Inhibition of recombinant GST-tagged human DDR2 by FRET assay
50010504	1	ChEMBL_1978620 (CHEMBL4611755)	Inhibition of Escherichia coli beta-glucuronidase using 4-methylumbelliferyl-beta-D-glucuronide hydrate as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence method
50010505	1	ChEMBL_1978659 (CHEMBL4611794)	Inhibition of human PDE4D catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 (DE3) cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay
50010506	1	ChEMBL_1978686 (CHEMBL4611821)	Activation of human PPARgamma expressed in HEK293 cells incubated for 18 hrs by luciferase reporter assay relative to control
50010508	1	ChEMBL_1978719 (CHEMBL4611854)	Inhibition of CDK7 (unknown origin)
50010508	2	ChEMBL_1978723 (CHEMBL4611858)	Inhibition of CDK1 (unknown origin)
50010508	3	ChEMBL_1978724 (CHEMBL4611859)	Inhibition of CDK2 (unknown origin)
50010508	4	ChEMBL_1978725 (CHEMBL4611860)	Inhibition of CDK4 (unknown origin)
50010508	5	ChEMBL_1978726 (CHEMBL4611861)	Inhibition of CDK5 (unknown origin)
50010508	6	ChEMBL_1978727 (CHEMBL4611862)	Inhibition of CDK6 (unknown origin)
50010508	7	ChEMBL_1978728 (CHEMBL4611863)	Inhibition of CDK9 (unknown origin)
50010508	8	ChEMBL_1978736 (CHEMBL4611871)	Binding affinity to CDK7 (unknown origin)
50010508	9	ChEMBL_1978729 (CHEMBL4611864)	Inhibition of CDK8 (unknown origin)
50010508	10	ChEMBL_1978730 (CHEMBL4611865)	Inhibition of CDK12 (unknown origin)
50010508	11	ChEMBL_1978731 (CHEMBL4611866)	Inhibition of CDK13 (unknown origin)
50010508	12	ChEMBL_1978732 (CHEMBL4611867)	Inhibition of CDK9 in human HCT116 cells assessed as inhibition of Ser2 phosphorylation
50010508	13	ChEMBL_1978733 (CHEMBL4611868)	Inhibition of CDK18 (unknown origin)
50010508	14	ChEMBL_1978738 (CHEMBL4611873)	Inhibition of CDK19 (unknown origin)
50010508	15	ChEMBL_1978718 (CHEMBL4611853)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATP
50010508	16	ChEMBL_1978722 (CHEMBL4611857)	Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition
50010511	1	ChEMBL_1978740 (CHEMBL4611875)	Inhibition of electric eel AchE using acetylthiocholine as substrate measured for 6 mins by Ellman's method
50010511	2	ChEMBL_1978742 (CHEMBL4611877)	Inhibition of equine serum BChE using (S)-butyrylthiocholine iodide as substrate measured for 6 mins by Ellman's method
50010511	3	ChEMBL_1978744 (CHEMBL4611879)	Inhibition of recombinant human MAO-A incubated for 30 mins by fluorescence-based method
50010512	1	ChEMBL_1978755 (CHEMBL4611890)	Inhibition of ovine COX-2 assessed as reduction in PGH2 formation using arachidonic acid as substrate by enzyme immunoassay
50010516	1	ChEMBL_1978813 (CHEMBL4611948)	Inhibition of ligand binding to ERalpha (unknown origin) by fluorescence polarization assay
50010517	1	ChEMBL_1978881 (CHEMBL4612016)	Inhibition of recombinant human NAAA expressed in HEK cells
50010517	2	ChEMBL_1978882 (CHEMBL4612017)	Inhibition of human NAAA
50010517	3	ChEMBL_1978883 (CHEMBL4612018)	Inhibition of NAAA (unknown origin)
50010517	4	ChEMBL_1978880 (CHEMBL4612015)	Inhibition of rat NAAA
50010517	5	ChEMBL_1978879 (CHEMBL4612014)	Inhibition of human NAAA expressed in HEK293 cell membranes using [3H]-N-palmitoylethanolamine as substrate after 30 mins by liquid scintillation counting assay
50010518	1	ChEMBL_1979006 (CHEMBL4612141)	Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate incubated for 30 mins
50010520	1	ChEMBL_1979073 (CHEMBL4612208)	Binding affinity to adrenoceptor alpha 2B (unknown origin)
50010520	2	ChEMBL_1979072 (CHEMBL4612207)	Binding affinity to adrenoceptor alpha 2A (unknown origin)
50010520	3	ChEMBL_1979071 (CHEMBL4612206)	Binding affinity to adrenoceptor alpha 1B (unknown origin)
50010520	4	ChEMBL_1979070 (CHEMBL4612205)	Binding affinity to adrenoceptor alpha 1A (unknown origin)
50010520	5	ChEMBL_1979075 (CHEMBL4612210)	Binding affinity to beta1 adrenoceptor (unknown origin)
50010520	6	ChEMBL_1979074 (CHEMBL4612209)	Binding affinity to adrenoceptor alpha 2C (unknown origin)
50010520	7	ChEMBL_1979076 (CHEMBL4612211)	Binding affinity to dopamine D1 receptor (unknown origin)
50010520	8	ChEMBL_1979077 (CHEMBL4612212)	Binding affinity to dopamine D2 receptor (unknown origin)
50010520	9	ChEMBL_1979078 (CHEMBL4612213)	Binding affinity to dopamine D3 receptor (unknown origin)
50010520	10	ChEMBL_1979079 (CHEMBL4612214)	Binding affinity to dopamine D4 receptor (unknown origin)
50010520	11	ChEMBL_1979080 (CHEMBL4612215)	Binding affinity to dopamine D5 receptor (unknown origin)
50010520	12	ChEMBL_1979081 (CHEMBL4612216)	Binding affinity to histamine H1 receptor (unknown origin)
50010520	13	ChEMBL_1979082 (CHEMBL4612217)	Binding affinity to histamine H2 receptor (unknown origin)
50010520	14	ChEMBL_1979083 (CHEMBL4612218)	Binding affinity to histamine H3 receptor (unknown origin)
50010520	15	ChEMBL_1979084 (CHEMBL4612219)	Binding affinity to histamine H4 receptor (unknown origin)
50010520	16	ChEMBL_1979085 (CHEMBL4612220)	Binding affinity to muscarinic acetylcholine receptor M1 (unknown origin)
50010520	17	ChEMBL_1979086 (CHEMBL4612221)	Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)
50010520	18	ChEMBL_1979087 (CHEMBL4612222)	Binding affinity to muscarinic acetylcholine receptor M3 (unknown origin)
50010520	19	ChEMBL_1979088 (CHEMBL4612223)	Binding affinity to muscarinic acetylcholine receptor M4 (unknown origin)
50010520	20	ChEMBL_1979089 (CHEMBL4612224)	Binding affinity to muscarinic acetylcholine receptor M5 (unknown origin)
50010520	21	ChEMBL_1979090 (CHEMBL4612225)	Binding affinity to SERT (unknown origin)
50010520	22	ChEMBL_1979091 (CHEMBL4612226)	Binding affinity to NET (unknown origin)
50010520	23	ChEMBL_1979092 (CHEMBL4612227)	Binding affinity to DAT (unknown origin)
50010520	24	ChEMBL_1979093 (CHEMBL4612228)	Binding affinity to MOR (unknown origin)
50010520	25	ChEMBL_1979094 (CHEMBL4612229)	Binding affinity to DOR (unknown origin)
50010520	26	ChEMBL_1979095 (CHEMBL4612230)	Binding affinity to KOR (unknown origin)
50010520	27	ChEMBL_1979096 (CHEMBL4612231)	Binding affinity to 5HT1A receptor (unknown origin)
50010520	28	ChEMBL_1979097 (CHEMBL4612232)	Binding affinity to 5HT1B receptor (unknown origin)
50010520	29	ChEMBL_1979098 (CHEMBL4612233)	Binding affinity to 5HT1D receptor (unknown origin)
50010520	30	ChEMBL_1979099 (CHEMBL4612234)	Binding affinity to 5HT1E receptor (unknown origin)
50010520	31	ChEMBL_1979100 (CHEMBL4612235)	Binding affinity to 5HT2A receptor (unknown origin)
50010520	32	ChEMBL_1979101 (CHEMBL4612236)	Binding affinity to 5HT2B receptor (unknown origin)
50010520	33	ChEMBL_1979102 (CHEMBL4612237)	Binding affinity to 5HT2C receptor (unknown origin)
50010520	34	ChEMBL_1979103 (CHEMBL4612238)	Binding affinity to 5HT3 receptor (unknown origin)
50010520	35	ChEMBL_1979104 (CHEMBL4612239)	Binding affinity to 5HT5A receptor (unknown origin)
50010520	36	ChEMBL_1979105 (CHEMBL4612240)	Binding affinity to 5HT6 receptor (unknown origin)
50010520	37	ChEMBL_1979106 (CHEMBL4612241)	Binding affinity to 5HT7 receptor (unknown origin)
50010520	38	ChEMBL_1979107 (CHEMBL4612242)	Binding affinity to 5HT7A receptor (unknown origin)
50010520	39	ChEMBL_1979108 (CHEMBL4612243)	Binding affinity to sigma1 receptor (unknown origin)
50010520	40	ChEMBL_1979109 (CHEMBL4612244)	Binding affinity to sigma2 receptor (unknown origin)
50010526	1	ChEMBL_1979212 (CHEMBL4612347)	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 3 hrs by in-cell western method
50010526	2	ChEMBL_1979259 (CHEMBL4612394)	Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation incubated for 24 hrs by in-cell western method
50010526	3	ChEMBL_1979266 (CHEMBL4612401)	Inhibition of recombinant KRAS G12C mutant (unknown origin) assessed as rate of inactivation by LC-MS analysis
50010527	1	ChEMBL_1979295 (CHEMBL4612430)	Binding affinity to LXRalpha (unknown origin) by surface plasmon resonance assay
50010530	1	ChEMBL_1979298 (CHEMBL4612433)	Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50010530	2	ChEMBL_1979299 (CHEMBL4612434)	Inhibition of human recombinant HDAC6 using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50010530	3	ChEMBL_1979300 (CHEMBL4612435)	Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by ADP-Glo kinase assay
50010530	4	ChEMBL_1979301 (CHEMBL4612436)	Inhibition of human recombinant HDAC1 expressed in Escherichia coli BL21(DE3) cells using KL177 as substrate preincubated for 5 followed by substrate addition and measured after 30 mins by fluorescence based assay
50010530	5	ChEMBL_1979302 (CHEMBL4612437)	Inhibition of human recombinant HDAC4 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 followed by substrate addition and measured after 30 mins by fluorescence based assay
50010530	6	ChEMBL_1979303 (CHEMBL4612438)	Inhibition of human recombinant HDAC6 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 followed by substrate addition and measured after 30 mins by fluorescence based assay
50010530	7	ChEMBL_1979304 (CHEMBL4612439)	Inhibition of human recombinant HDAC8 expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 followed by substrate addition and measured after 30 mins by fluorescence based assay
50010530	8	ChEMBL_1979311 (CHEMBL4612446)	Inhibition of EGFR (unknown origin)
50010530	9	ChEMBL_1979312 (CHEMBL4612447)	Inhibition of HDAC1 (unknown origin)
50010530	10	ChEMBL_1979313 (CHEMBL4612448)	Inhibition of HER2 (unknown origin)
50010530	11	ChEMBL_1979314 (CHEMBL4612449)	Inhibition of PI3Kalpha (unknown origin)
50010530	12	ChEMBL_1979315 (CHEMBL4612450)	Inhibition of KDM1A/LSD1 (unknown origin)
50010531	1	ChEMBL_1979316 (CHEMBL4612451)	Inhibition of human aromatase using ASD as substrate incubated for 16 hrs by UV/vis-spectrophotometry
50010531	2	ChEMBL_1979317 (CHEMBL4612452)	Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorescence based assay
50010532	1	ChEMBL_1979320 (CHEMBL4612455)	Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 release using PGH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 min by RP-UV-HPLC analysis
50010533	1	ChEMBL_1979330 (CHEMBL4612465)	Inhibition of SERCA1 in NewZealand rabbit skeletal muscle SR vesicles using ATP as substrate incubated for 2 mins followed by Ca2+ addition by NADH coupled enzyme assay
50010533	2	ChEMBL_1979331 (CHEMBL4612466)	Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay
50010534	1	ChEMBL_1979340 (CHEMBL4612475)	Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 1 expressed in Escherichia coli preincubated for 15 mins followed by APC-labeled biotinylated-avidin addition and measured after 1 hr under dark condition by TR-FRET assay
50010534	2	ChEMBL_1979342 (CHEMBL4612477)	Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human BRD4 bromodomain 2 expressed in Escherichia coli preincubated for 15 mins followed by APC-labeled biotinylated-avidin addition and measured after 1 hr under dark condition by TR-FRET assay
50010534	3	ChEMBL_1979344 (CHEMBL4612479)	Binding affinity to human partial length BRD2 bromodomain 1 isoform 1(K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50010534	4	ChEMBL_1979345 (CHEMBL4612480)	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50010534	5	ChEMBL_1979346 (CHEMBL4612481)	Binding affinity to human BRD2 isoform 1 bromodomain 1 and 2 (K71 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50010534	6	ChEMBL_1979347 (CHEMBL4612482)	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50010534	7	ChEMBL_1979348 (CHEMBL4612483)	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50010534	8	ChEMBL_1979349 (CHEMBL4612484)	Binding affinity to human partial length BRD3 bromodomain 1 and 2 (P24 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50010534	9	ChEMBL_1979350 (CHEMBL4612485)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50010534	10	ChEMBL_1979351 (CHEMBL4612486)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50010534	11	ChEMBL_1979352 (CHEMBL4612487)	Binding affinity to human partial length BRD4 long isoform bromodomain 1 and 2 (N44 to E460 residues) expressed in bacterial expression system by BROMOscan assay by BROMOscan assay
50010534	12	ChEMBL_1979354 (CHEMBL4612489)	Binding affinity to human partial length BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50010534	13	ChEMBL_1979355 (CHEMBL4612490)	Binding affinity to human partial length BRDT bromodomain 2 (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50010534	14	ChEMBL_1979356 (CHEMBL4612491)	Binding affinity to human partial length BRDT isoform b bromodomain 1 and 2 (N21 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50010534	15	ChEMBL_1979357 (CHEMBL4612492)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50010534	16	ChEMBL_1979358 (CHEMBL4612493)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50010534	17	ChEMBL_1979359 (CHEMBL4612494)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50010534	18	ChEMBL_1979360 (CHEMBL4612495)	Binding affinity to human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50010534	19	ChEMBL_1979361 (CHEMBL4612496)	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50010534	20	ChEMBL_1979362 (CHEMBL4612497)	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50010534	21	ChEMBL_1979363 (CHEMBL4612498)	Binding affinity to human partial length BRD8 BD1 (S700 to F854 residues) expressed in mammalian expression system BROMOscan assay
50010534	22	ChEMBL_1979364 (CHEMBL4612499)	Binding affinity to human partial length BRD8 BD2 (D1095 to F1235 residues) expressed in mammalian expression system BROMOscan assay
50010534	23	ChEMBL_1979365 (CHEMBL4612500)	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50010534	24	ChEMBL_1979366 (CHEMBL4612501)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50010534	25	ChEMBL_1979367 (CHEMBL4612502)	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50010534	26	ChEMBL_1979368 (CHEMBL4612503)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50010534	27	ChEMBL_1979369 (CHEMBL4612504)	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50010534	28	ChEMBL_1979370 (CHEMBL4612505)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay
50010534	29	ChEMBL_1979371 (CHEMBL4612506)	Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay
50010534	30	ChEMBL_1979372 (CHEMBL4612507)	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50010534	31	ChEMBL_1979373 (CHEMBL4612508)	Binding affinity to human partial length PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50010534	32	ChEMBL_1979374 (CHEMBL4612509)	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50010534	33	ChEMBL_1979375 (CHEMBL4612510)	Binding affinity to human partial length PCAF (G715 to D831 residues) expressed in bacterial expression system by BROMOscan assay
50010534	34	ChEMBL_1979376 (CHEMBL4612511)	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50010534	35	ChEMBL_1979377 (CHEMBL4612512)	Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50010534	36	ChEMBL_1979378 (CHEMBL4612513)	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50010534	37	ChEMBL_1979379 (CHEMBL4612514)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50010534	38	ChEMBL_1979380 (CHEMBL4612515)	Binding affinity to human partial length TRIM24 (G862 to E980 residues) expressed in bacterial expression system by BROMOscan assay
50010534	39	ChEMBL_1979381 (CHEMBL4612516)	Binding affinity to human partial length TRIM24 phd bromodomain (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50010534	40	ChEMBL_1979382 (CHEMBL4612517)	Binding affinity to human partial length TRIM33 phd bromodomain (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50010534	41	ChEMBL_1979383 (CHEMBL4612518)	Binding affinity to human partial length WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50010534	42	ChEMBL_1979419 (CHEMBL4612554)	Inhibition of human ERG stably expressed in HEK293 cells
50010534	43	ChEMBL_1979353 (CHEMBL4612488)	Binding affinity to human full-length BRD4 short isoform (M1 to A722 residues) expressed in bacterial expression system by BROMOscan assay
50010535	1	ChEMBL_1979484 (CHEMBL4612619)	Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR-FRET assay
50010535	2	ChEMBL_1979487 (CHEMBL4612622)	Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay
50010535	3	ChEMBL_1979488 (CHEMBL4612623)	Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay
50010535	4	ChEMBL_1979489 (CHEMBL4612624)	Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR-FRET assay
50010535	5	ChEMBL_1979492 (CHEMBL4612627)	Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinant IL4 addition and further incubated for 4 hrs fluorescence based assay
50010535	6	ChEMBL_1979493 (CHEMBL4612628)	Inhibition of JAK2 in human STAT5-irf1-bla TF1 cells assessed as reduction in EPO-induced STAT5-signalling pre-incubated for 1 hrs before EPO addition and further incubated for 4 hrs fluorescence based assay
50010536	1	ChEMBL_1979516 (CHEMBL4612651)	Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	2	ChEMBL_1979513 (CHEMBL4612648)	Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	3	ChEMBL_1979512 (CHEMBL4612647)	Inhibition of human CA1 pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	4	ChEMBL_1979515 (CHEMBL4612650)	Inhibition of human CA5B pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	5	ChEMBL_1979514 (CHEMBL4612649)	Inhibition of human CA5A pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	6	ChEMBL_1979517 (CHEMBL4612652)	Inhibition of human CA9 pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	7	ChEMBL_1979518 (CHEMBL4612653)	Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay
50010536	8	ChEMBL_1979523 (CHEMBL4612658)	Inhibition of telomerase in human PC3 cell-free extracts incubated for 48 hrs by TRAP assay
50010537	1	ChEMBL_1979571 (CHEMBL4612706)	Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxamide binding to recombinant human full-length N-terminal Flag-tagged ATR expressed in HEK293-6E cells co-expressing human full-length STREP-tagged ATRIP preincubated for 10 mins followed by tracer addition and measured after 30 mins by TR-FRET assay
50010537	2	ChEMBL_1979572 (CHEMBL4612707)	Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric assay
50010537	3	ChEMBL_1979587 (CHEMBL4612722)	Inhibition of recombinant human ERG stably expressed in HEK293 cells at -80 mV by whole cell voltage clamp method
50010537	4	ChEMBL_1979590 (CHEMBL4612725)	Inhibition of DNA-PK (unknown origin)
50010537	5	ChEMBL_1979591 (CHEMBL4612726)	Inhibition of N-terminally FLAG-tagged recombinant full-length ATM (unknown origin) expressed in HEK239-6E cells using biotin-PEG2-SVEPPLSQETFSD as substrate preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET assay
50010537	6	ChEMBL_1979592 (CHEMBL4612727)	Inhibition of PI3Kbeta (unknown origin)
50010537	7	ChEMBL_1979593 (CHEMBL4612728)	Binding affinity to wild-type human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by Kinomescan method
50010537	8	ChEMBL_1979594 (CHEMBL4612729)	Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method
50010537	9	ChEMBL_1979595 (CHEMBL4612730)	Binding affinity to wild-type human partial length RIOK2 (M1 to D313 residues) expressed in mammalian expression system by Kinomescan method
50010537	10	ChEMBL_1979600 (CHEMBL4612735)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50010537	11	ChEMBL_1979601 (CHEMBL4612736)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50010537	12	ChEMBL_1979602 (CHEMBL4612737)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50010537	13	ChEMBL_1979603 (CHEMBL4612738)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS/MS analysis
50010538	1	ChEMBL_1979627 (CHEMBL4612762)	Inhibition of recombinant human full-length N-terminal GST-tagged CDK2/cyclinA1 expressed in baculovirus infected Sf9 insect cells using FRET-labeled Ser/Thr 12 as substrate measured after 1 hr by Z'-lyte assay
50010538	2	ChEMBL_1979628 (CHEMBL4612763)	Inhibition of recombinant human full-length His-tagged CDK7/Cyclin H/MNAT1 expressed in baculovirus infection system using Cdk7/9tide as substrate measured after 1 hr by Alexa Fluor 647 ADP Tracer-based Adapta assay
50010538	3	ChEMBL_1979629 (CHEMBL4612764)	Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed in baculovirus infection system using Cdk7/9tide as substrate measured after 1 hr in presence of Alexa Fluor 647 ADP Tracer-based Adapta assay
50010538	4	ChEMBL_1979635 (CHEMBL4612770)	Inhibition of recombinant human full-length His-tagged CDK1/cyclin B expressed in baculovirus expression system using FRET-labeled Ser/Thr 18 as substrate measured after 1 hr by Z'-lyte assay
50010538	5	ChEMBL_1979636 (CHEMBL4612771)	Inhibition of kinase tracer 236 binding to recombinant human full-length N-terminal GST-tagged CDK3/cyclin E1 expressed in baculovirus expression system measured after 1 hr by LanthaScreen Eu Kinase Binding Assay
50010538	6	ChEMBL_1979637 (CHEMBL4612772)	Inhibition of recombinant human full-length GST-tagged CDK4/Cyclin D1 expressed in baculovirus infection system measured after 1 hr by Alexa Fluor 647 ADP Tracer-based Adapta assay
50010538	7	ChEMBL_1979638 (CHEMBL4612773)	Inhibition of recombinant human full-length GST/His-tagged CDK5/p25 expressed in baculovirus expression system using FRET-labeled Ser/Thr 12 as substrate measured after 1 hr by Z'-lyte assay
50010538	8	ChEMBL_1979639 (CHEMBL4612774)	Inhibition of CDK6 (unknown origin) by adapta assay
50010538	9	ChEMBL_1979640 (CHEMBL4612775)	Inhibition of kinase tracer 236 binding to recombinant human full-length His-tagged CDK8/cyclin C expressed in baculovirus expression system measured after 1 hr by LanthaScreen Eu Kinase Binding Assay
50010538	10	ChEMBL_1979641 (CHEMBL4612776)	Inhibition of human CDK12/cyclin K using Pol2-CTD as substrate by [gamma-33P]ATP-based radioisotope filter binding assay
50010538	11	ChEMBL_1979642 (CHEMBL4612777)	Inhibition of human CDK13/cyclin K using Pol2-CTD as substrate by [gamma-33P]ATP-based radioisotope filter binding assay
50010538	12	ChEMBL_1979643 (CHEMBL4612778)	Inhibition of kinase tracer 236 binding to recombinant human N-terminal GST-tagged full-length CDK14/Cyclin Y (2 to end residues) expressed in baculovirus infected Sf9 insect cells measured after 1 hr by LanthaScreen Eu Kinase Binding Assay
50010538	13	ChEMBL_1979644 (CHEMBL4612779)	Inhibition of kinase tracer 236 binding to recombinant human N-terminal GST-tagged human CDK16 (107 to end residues)/Cyclin Y (2 to end residues) expressed in baculovirus infected Sf9 insect cells measured after 1 hr by LanthaScreen Eu Kinase Binding Assay
50010539	1	ChEMBL_1979812 (CHEMBL4612947)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 as substrate by gel based fluorescence assay
50010540	1	ChEMBL_1979824 (CHEMBL4612959)	Binding affinity to uniformly labeled 15N oxidized Escherichia coli DsbA by 1H-15N HSQC NMR spectroscopy
50010541	1	ChEMBL_1979827 (CHEMBL4612962)	Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-COOH as substrate measured after 2 hrs by mobility shift assay
50010541	2	ChEMBL_1979830 (CHEMBL4612965)	Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate measured after 1 hr by Alexa fluor-647 ADP tracer-based ADAPTA assay
50010541	3	ChEMBL_1979829 (CHEMBL4612964)	Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5 autophosphorylation pretreated for 1 hr followed by EGF stimulation and measured after 17 mins by 32p kinase assay
50010541	4	ChEMBL_1979831 (CHEMBL4612966)	Inhibition of BRD4 bromodomain 1 (unknown origin) by AlphaScreen displacement assay
50010542	1	ChEMBL_1979839 (CHEMBL4612974)	Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintillation counting method
50010542	2	ChEMBL_1979867 (CHEMBL4613002)	Agonist activity at MRGPX2 (unknown origin)
50010542	3	ChEMBL_1979875 (CHEMBL4613010)	Inhibition of CYP3A4 (unknown origin)
50010542	4	ChEMBL_1979876 (CHEMBL4613011)	Inhibition of CYP2C19 (unknown origin)
50010542	5	ChEMBL_1979877 (CHEMBL4613012)	Inhibition of CYP2D6 (unknown origin)
50010542	6	ChEMBL_1979878 (CHEMBL4613013)	Inhibition of CYP2C8 (unknown origin)
50010542	7	ChEMBL_1979879 (CHEMBL4613014)	Inhibition of CYP2C9 (unknown origin)
50010542	8	ChEMBL_1979880 (CHEMBL4613015)	Inhibition of CYP1A2 (unknown origin)
50010544	1	ChEMBL_1979910 (CHEMBL4613045)	Inhibition of human NMT1 using p60 SRC(2 to 16) as substrate by CPM dye based fluorescence assay
50010545	1	ChEMBL_1979924 (CHEMBL4613059)	Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 mins before biotin-H3K27me3 (19 to 33 residues) addition and further incubated for 30 mins by AlphaScreen.based EED-H3K27me3 peptide competition binding assay
50010546	1	ChEMBL_1979947 (CHEMBL4613082)	Inhibition of C-terminal FLAG-tagged human autotaxin expressed in Freestyle 293 cells using synthetic substrate FS-3 by fluorescence based assay
50010546	2	ChEMBL_1979948 (CHEMBL4613083)	Inhibition of C-terminal FLAG-tagged human autotaxin expressed in Freestyle 293 cells assessed as reduction in choline release from LPC 16:0 pre-incubated for 10 mins before LPC addition and measured after 1 hr by choline oxidase/HRP coupled assay
50010546	3	ChEMBL_1979949 (CHEMBL4613084)	Inhibition of autotaxin in mouse plasma assessed as reduction in LPA (18:2) production incubated for 2 hrs LC-MS-/MS analysis
50010546	4	ChEMBL_1979950 (CHEMBL4613085)	Inhibition of autotaxin in human plasma assessed as reduction in LPA (18:2) production incubated for 2 hrs LC-MS-/MS analysis
50010546	5	ChEMBL_1979956 (CHEMBL4613091)	Inhibition of human ERG by manual patch clamp assay
50010546	6	ChEMBL_1979957 (CHEMBL4613092)	Inhibition of human ERG by GLP based assay
50010546	7	ChEMBL_1979958 (CHEMBL4613093)	Inhibition of CYP3A4 (unknown origin)
50010546	8	ChEMBL_1979959 (CHEMBL4613094)	Inhibition of CYP2D6 (unknown origin)
50010546	9	ChEMBL_1979960 (CHEMBL4613095)	Inhibition of CYP1A2 (unknown origin)
50010546	10	ChEMBL_1979961 (CHEMBL4613096)	Inhibition of CYP2C9 (unknown origin)
50010546	11	ChEMBL_1979962 (CHEMBL4613097)	Inhibition of CYP2C19 (unknown origin)
50010546	12	ChEMBL_1979963 (CHEMBL4613098)	Inhibition of ENPP1 (unknown origin)
50010546	13	ChEMBL_1979964 (CHEMBL4613099)	Inhibition of LPAR1 (unknown origin)
50010546	14	ChEMBL_1979965 (CHEMBL4613100)	Inhibition of LPAR2 (unknown origin)
50010546	15	ChEMBL_1979966 (CHEMBL4613101)	Inhibition of LPAR3 (unknown origin)
50010547	1	ChEMBL_1979999 (CHEMBL4613134)	ATP competitive inhibition of recombinant human CK2alpha2 (1 to 335 residues)/CK2beta2 (1 to 193 residues) expressed in Escherichia coli BL21(DE3) using RRRDDDSDDD as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins in presence of varying level of [gamma-32P]ATP by Dixon-plot analysis
50010550	1	ChEMBL_1980001 (CHEMBL4613136)	Inhibition of PDE1C2 (147 to 531 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50010550	2	ChEMBL_1980002 (CHEMBL4613137)	Inhibition of PDE1B (146 to 506 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50010550	3	ChEMBL_1980003 (CHEMBL4613138)	Inhibition of PDE9A (181 to 506 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50010550	4	ChEMBL_1980007 (CHEMBL4613142)	Inhibition of PDE2A (580 to 919 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	5	ChEMBL_1980008 (CHEMBL4613143)	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	6	ChEMBL_1980009 (CHEMBL4613144)	Inhibition of PDE4D2 (86 to 413 residues) (unknown origin) using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	7	ChEMBL_1980010 (CHEMBL4613145)	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	8	ChEMBL_1980011 (CHEMBL4613146)	Inhibition of PDE6C (1 to 858 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	9	ChEMBL_1980012 (CHEMBL4613147)	Inhibition of PDE7A1 (130 to 482 residues) (unknown origin) using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	10	ChEMBL_1980013 (CHEMBL4613148)	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	11	ChEMBL_1980014 (CHEMBL4613149)	Inhibition of PDE9A2 (181 to 506 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	12	ChEMBL_1980015 (CHEMBL4613150)	Inhibition of PDE10A (449 to 770 residues) (unknown origin) using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method relative to control
50010550	13	ChEMBL_1980039 (CHEMBL4613174)	Inhibition of human CYP1A2
50010550	14	ChEMBL_1980040 (CHEMBL4613175)	Inhibition of human CYP2D6
50010550	15	ChEMBL_1980041 (CHEMBL4613176)	Inhibition of human CYP3A4 using testosterone as substrate
50010550	16	ChEMBL_1980042 (CHEMBL4613177)	Inhibition of human CYP3A4 using midazolam as substrate
50010550	17	ChEMBL_1980043 (CHEMBL4613178)	Inhibition of human CYP2C9
50010550	18	ChEMBL_1980044 (CHEMBL4613179)	Inhibition of human ERG
50010551	1	ChEMBL_1980070 (CHEMBL4613332)	Inhibition of sirtuin 1 (unknown origin)
50010551	2	ChEMBL_1980071 (CHEMBL4613333)	Inhibition of sirtuin 6 (unknown origin)
50010551	3	ChEMBL_1980072 (CHEMBL4613334)	Inhibition of sirtuin 2 (unknown origin)
50010551	4	ChEMBL_1980073 (CHEMBL4613335)	Inhibition of sirtuin 3 (unknown origin)
50010551	5	ChEMBL_1980075 (CHEMBL4613337)	Inhibition of sirtuin 5 (unknown origin)
50010552	1	ChEMBL_1980076 (CHEMBL4613338)	Inhibition of KDM5B (unknown origin)
50010552	2	ChEMBL_1980077 (CHEMBL4613339)	Inhibition of recombinant KDM5B catalytic domain (1 to 769 residues) (unknown origin)
50010552	3	ChEMBL_1980079 (CHEMBL4613341)	Inhibition of KDM5B (1 to 755 residues) (unknown origin)
50010552	4	ChEMBL_1980080 (CHEMBL4613342)	Inhibition of KDM5C (1 to 789 residues) (unknown origin)
50010553	1	ChEMBL_1980089 (CHEMBL4613351)	Inhibition of PDL1 (unknown origin)
50010553	2	ChEMBL_1980090 (CHEMBL4613352)	Inhibition of PDL2 (unknown origin)
50010553	3	ChEMBL_1980087 (CHEMBL4613349)	Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay
50010553	4	ChEMBL_1980085 (CHEMBL4613347)	Antagonist activity against PDL1 (unknown origin)
50010554	1	ChEMBL_1980099 (CHEMBL4613361)	Inhibition of recombinant human SIRT1 after 30 mins
50010554	2	ChEMBL_1980100 (CHEMBL4613362)	Inhibition of recombinant human SIRT2 after 30 mins
50010554	3	ChEMBL_1980113 (CHEMBL4613375)	Inhibition of tyrosinase (unknown origin)
50010555	1	ChEMBL_1980141 (CHEMBL4613403)	Inhibition of CDK5 (unknown origin)
50010555	2	ChEMBL_1980115 (CHEMBL4613377)	Inhibition of CDK2 (unknown origin)
50010555	3	ChEMBL_1980114 (CHEMBL4613376)	Inhibition of CDK1 (unknown origin)
50010555	4	ChEMBL_1980145 (CHEMBL4613407)	Inhibition of CDK4 (unknown origin)
50010555	5	ChEMBL_1980146 (CHEMBL4613408)	Inhibition of CDK6 (unknown origin)
50010555	6	ChEMBL_1980120 (CHEMBL4613382)	Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	7	ChEMBL_1980121 (CHEMBL4613383)	Inhibition of recombinant human CDK2/cyclin E after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	8	ChEMBL_1980122 (CHEMBL4613384)	Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	9	ChEMBL_1980123 (CHEMBL4613385)	Inhibition of recombinant human CDK9/cyclin T after 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	10	ChEMBL_1980129 (CHEMBL4613391)	Inhibition of recombinant GST-tagged human CDK1/cyclin B expressed in SF-9 cells after 10 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	11	ChEMBL_1980130 (CHEMBL4613392)	Inhibition of recombinant GST-tagged human CDK2/cyclin E expressed in SF-9 cells after 10 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50010555	12	ChEMBL_1980139 (CHEMBL4613401)	Inhibition of CDK4/Cyclin D1 (unknown origin)
50010555	13	ChEMBL_1980140 (CHEMBL4613402)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50010555	14	ChEMBL_1980137 (CHEMBL4613399)	Inhibition of VEGFR2 (unknown origin)
50010555	15	ChEMBL_1980133 (CHEMBL4613395)	Inhibition of full length GST-tagged human CDK1/cyclin B
50010555	16	ChEMBL_1980131 (CHEMBL4613393)	Inhibition of full length GST-tagged human CDK2/Cyclin A
50010555	17	ChEMBL_1980142 (CHEMBL4613404)	Inhibition of CDK1/cyclin B (unknown origin)
50010555	18	ChEMBL_1980143 (CHEMBL4613405)	Inhibition of CDK5/p25 (unknown origin)
50010555	19	ChEMBL_1980144 (CHEMBL4613406)	Inhibition of GSK3alpha/beta (unknown origin)
50010555	20	ChEMBL_1980132 (CHEMBL4613394)	Inhibition of CDK2/Cyclin A (unknown origin)
50010555	21	ChEMBL_1980147 (CHEMBL4613409)	Binding affinity to CDK8/cyclin C (unknown origin)
50010555	22	ChEMBL_1980150 (CHEMBL4613412)	Inhibition of CDK1 (unknown origin) in presence of high ATP
50010555	23	ChEMBL_1980151 (CHEMBL4613413)	Inhibition of CDK7 (unknown origin) in presence of high ATP
50010555	24	ChEMBL_1980152 (CHEMBL4613414)	Inhibition of CDK2 (unknown origin) in presence of high ATP
50010555	25	ChEMBL_1980153 (CHEMBL4613415)	Inhibition of CDK9 (unknown origin) in presence of high ATP
50010555	26	ChEMBL_1980134 (CHEMBL4613396)	Binding affinity to CDK1 (unknown origin)
50010555	27	ChEMBL_1980135 (CHEMBL4613397)	Binding affinity to CDK2 (unknown origin)
50010555	28	ChEMBL_1980148 (CHEMBL4613410)	Inhibition of CDK8 (unknown origin)
50010555	29	ChEMBL_1980149 (CHEMBL4613411)	Inhibition of CDK19 (unknown origin)
50010555	30	ChEMBL_1980154 (CHEMBL4613416)	Binding affinity to CDK7 (unknown origin)
50010555	31	ChEMBL_1980155 (CHEMBL4613417)	Binding affinity to CDK9 (unknown origin)
50010555	32	ChEMBL_1980117 (CHEMBL4613379)	Inhibition of CDK9 (unknown origin)
50010555	33	ChEMBL_1980116 (CHEMBL4613378)	Inhibition of CDK7 (unknown origin)
50010555	34	ChEMBL_1980156 (CHEMBL4613418)	Inhibition of CDK12 (unknown origin)
50010555	35	ChEMBL_1980157 (CHEMBL4613419)	Inhibition of CDK13 (unknown origin)
50010555	36	ChEMBL_1980118 (CHEMBL4613380)	Inhibition of CDK2/Cyclin E (unknown origin)
50010556	1	ChEMBL_1980321 (CHEMBL4613583)	Activation of caspase 3 in human SMMC7721 cells
50010556	2	ChEMBL_1980320 (CHEMBL4613582)	Activation of caspase 9 in human SMMC7721 cells
50010556	3	ChEMBL_1980319 (CHEMBL4613581)	Activation of Bax in human SMMC7721 cells
50010556	4	ChEMBL_1980318 (CHEMBL4613580)	Activation of p53 in human SMMC7721 cells
50010556	5	ChEMBL_1980243 (CHEMBL4613505)	Inhibition of PKBalpha (unknown origin)
50010556	6	ChEMBL_1980244 (CHEMBL4613506)	Inhibition of PKBbeta (unknown origin)
50010556	7	ChEMBL_1980245 (CHEMBL4613507)	Inhibition of PKBgamma (unknown origin)
50010556	8	ChEMBL_1980246 (CHEMBL4613508)	Inhibition of IKKalpha (unknown origin)
50010556	9	ChEMBL_1980247 (CHEMBL4613509)	Inhibition of IKKbeta (unknown origin)
50010556	10	ChEMBL_1980212 (CHEMBL4613474)	Inhibition of HDAC (unknown origin)
50010557	1	ChEMBL_1980349 (CHEMBL4613611)	Inhibition of electric eel AChE
50010557	2	ChEMBL_1980350 (CHEMBL4613612)	Inhibition of human BuChE
50010557	3	ChEMBL_1980351 (CHEMBL4613613)	Inhibition of human AChE
50010557	4	ChEMBL_1980352 (CHEMBL4613614)	Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate by Ellman's methods
50010557	5	ChEMBL_1980353 (CHEMBL4613615)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate by Ellman's methods
50010557	6	ChEMBL_1980354 (CHEMBL4613616)	Inhibition of BuChE (unknown origin)
50010557	7	ChEMBL_1980355 (CHEMBL4613617)	Inhibition of VGCC (unknown origin)
50010558	1	ChEMBL_1980356 (CHEMBL4613618)	Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation
50010558	2	ChEMBL_1980481 (CHEMBL4613743)	Inhibition of CDK2 (unknown origin)
50010558	3	ChEMBL_1980485 (CHEMBL4613747)	Inhibition of ABCG2 (unknown origin)
50010558	4	ChEMBL_1980487 (CHEMBL4613749)	Inhibition of tyrosinase (unknown origin)
50010559	1	ChEMBL_1980733 (CHEMBL4613995)	Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by UV-spectrophotometric method
50010559	2	ChEMBL_1980734 (CHEMBL4613996)	Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by UV-spectrophotometric method
50010559	3	ChEMBL_1980747 (CHEMBL4614009)	Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate at 24 degC by stopped-flow spectrophotometric method
50010560	1	ChEMBL_1980751 (CHEMBL4614013)	Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method
50010560	2	ChEMBL_1980752 (CHEMBL4614014)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method
50010560	3	ChEMBL_1980753 (CHEMBL4614015)	Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting method
50010560	4	ChEMBL_1980755 (CHEMBL4614017)	Inhibition of human ERG
50010560	5	ChEMBL_1980758 (CHEMBL4614020)	Displacement of [3H]WIN35428 from DAT (unknown origin) transiently expressed in COS7 cells incubated for > 90 mins by beta scintillation counting method
50010560	6	ChEMBL_1980750 (CHEMBL4614012)	Displacement of [3H]WIN 35428 from human DAT transiently expressed in COS7 cells
50010560	7	ChEMBL_1980774 (CHEMBL4614036)	Inhibition of human DAT transiently expressed in COS7 cells assessed as reduction in [3H]-DA uptake measured after 5 mins by beta-scintillation counting method
50010561	1	ChEMBL_1980775 (CHEMBL4614037)	Inhibition of HIF1alpha transcriptional activity in human HeLa cells transfected with HRE-firefly luciferase and cytomegalovirus-promoter expressing Renilla luciferase incubated for 12 hrs under 1% O2 condition by dual luciferase reporter gene assay
50010562	1	ChEMBL_1980785 (CHEMBL4614047)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50010562	2	ChEMBL_1980784 (CHEMBL4614046)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50010563	1	ChEMBL_1980873 (CHEMBL4614135)	Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay
50010563	2	ChEMBL_1980874 (CHEMBL4614136)	Inhibition of human BACE2
50010563	3	ChEMBL_1980875 (CHEMBL4614137)	Inhibition of human cathepsin D
50010564	1	ChEMBL_1980925 (CHEMBL4614187)	Inhibition of recombinant human p38alpha expressed in Escherichia coli
50010564	2	ChEMBL_1980926 (CHEMBL4614188)	Inhibition of recombinant GST-tagged human ALK5 expressed in baculovirus infected Sf9 insect cells
50010565	1	ChEMBL_1980958 (CHEMBL4614220)	Inhibition of NAMPT (unknown origin) using NAM and PRPP as substrates incubated for 2 hrs in presence of ATP by fluorimetric plate reader assay
50010566	1	ChEMBL_1980961 (CHEMBL4614223)	Activation of glucokinase (unknown origin)
50010566	2	ChEMBL_1980977 (CHEMBL4614239)	Activation of glucokinase (unknown origin) in presence of 4% human serum albumin
50010568	1	ChEMBL_1981000 (CHEMBL4614262)	Inhibition of TDP1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C- BHQ1)-3' as substrate measured for every 1 min by fluorescence based assay
50010568	2	ChEMBL_1981002 (CHEMBL4614264)	Inhibition of TDP1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C- BHQ1)-3' as substrate measured after 20 mins by gel-based assay
50010569	1	ChEMBL_1981017 (CHEMBL4614279)	Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay
50010569	2	ChEMBL_1981018 (CHEMBL4614280)	Inhibition of TRAP1 (unknown origin)
50010569	3	ChEMBL_1981019 (CHEMBL4614281)	Inhibition of GRP94 (unknown origin)
50010570	1	ChEMBL_1981134 (CHEMBL4614396)	Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50010570	2	ChEMBL_1981135 (CHEMBL4614397)	Inhibition of BTK (unknown origin) by ADP-Glo kinase assay
50010570	3	ChEMBL_1981151 (CHEMBL4614413)	Inhibition of JAK3 (unknown origin)
50010570	4	ChEMBL_1981152 (CHEMBL4614414)	Inhibition of BTK (unknown origin)
50010570	5	ChEMBL_1981153 (CHEMBL4614415)	Inhibition of EGFR (unknown origin)
50010574	1	ChEMBL_1981164 (CHEMBL4614426)	Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) cells using PNPP as substate preincubated for 5 mins followed by substrate additon and measured after 15 mins
50010575	1	ChEMBL_1981275 (CHEMBL4614537)	Binding affinity to recombinant Mycobacterium tuberculosis H37Rv N-terminal His6-tagged ClpC1 (1 to 145 residues) expressed in Escherichia coli BL21 cells by surface plasmon resonance analysis
50010575	2	ChEMBL_1981276 (CHEMBL4614538)	Binding affinity to recombinant full length Mycobacterium tuberculosis H37Rv ClpC1 (1 to 842 residues) expressed in Escherichia coli BL21 cells by surface plasmon resonance analysis
50010576	1	ChEMBL_1981462 (CHEMBL4614724)	Induction of LAT1-mediated polyamine efflux in human L3.6PL cells assessed as reduction in cell viability after 48 hrs by MTS assay
50010578	1	ChEMBL_1981484 (CHEMBL4614746)	Inhibition of human serine protease factor B catalytic domain (D470 to L764 residues) assessed as inhibition of cleavage cobra venom factor (CVF):Bb complex pre-incubated for 1 hr before addition of C3 by ELISA
50010578	2	ChEMBL_1981485 (CHEMBL4614747)	Binding affinity to human serine protease factor B by SPR assay
50010578	3	ChEMBL_1981486 (CHEMBL4614748)	Inhibition of human ERG by radioligand binding assay
50010578	4	ChEMBL_1981487 (CHEMBL4614749)	Inhibition of adrenergic receptor alpha1a (unknown origin)
50010578	5	ChEMBL_1981488 (CHEMBL4614750)	Inhibition of adrenergic receptor alpha2c (unknown origin)
50010578	6	ChEMBL_1981490 (CHEMBL4614752)	Inhibition of human serine protease factor B by TR-FRET based competition binding assay
50010578	7	ChEMBL_1981491 (CHEMBL4614753)	Inhibition of serine protease factor B in 50% human whole blood assessed as reduction in alternative pathway-mediated membrane attack complex formation pre-incubated for 15 mins before activated zymosan A stimulation for 50 mins by ELISA
50010578	8	ChEMBL_1981492 (CHEMBL4614754)	Inhibition of serine protease factor B in 50% mouse serum assessed as reduction in C3b deposition pre-incubated for 15 mins before activated zymosan A stimulation for 50 mins by ELISA
50010578	9	ChEMBL_1981506 (CHEMBL4614768)	Inhibition of human AP protein factor D
50010578	10	ChEMBL_1981526 (CHEMBL4614788)	Inhibition of human serine protease factor B in human PNH patient derived sample assessed as prevention of erythrocyte lysis
50010580	1	ChEMBL_1981607 (CHEMBL4614869)	Agonist activity at human GPR119 expressed in HEK293 cells preincubated for 30 mins followed by d2 cAMP addition and measured after 60 mins by HTRF assay
50010580	2	ChEMBL_1981613 (CHEMBL4614875)	Inhibition of PDE2 (unknown origin)
50010581	1	ChEMBL_1981650 (CHEMBL4614912)	Inhibition of COX (unknown origin)
50010581	2	ChEMBL_1981658 (CHEMBL4614920)	Inhibition of thrombin (unknown origin) assessed as antithrombin activity by measuring inhibition of thromboxane
50010582	1	ChEMBL_1981687 (CHEMBL4614949)	Reversible inhibition of rat liver S- adenosyl-L-homocysteine hydrolase using SAH as substrate by spectrophotometric method
50010582	2	ChEMBL_1981694 (CHEMBL4614956)	Inhibition of CYP2C8 (unknown origin) assessed as reduction in amodiaquine N-deethylation
50010582	3	ChEMBL_1981695 (CHEMBL4614957)	Inhibition of CYP2C9 (unknown origin) assessed as reduction in diclofenac 4-hydroxylation
50010582	4	ChEMBL_1981671 (CHEMBL4614933)	Time dependent inhibition of Hafnia alvei lysine decarboxylase using L-lysine by Kitz-Wilson analysis
50010583	1	ChEMBL_1981751 (CHEMBL4615013)	Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay
50010583	2	ChEMBL_1981811 (CHEMBL4615073)	Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic acid as substrate by DCIP assay
50010583	3	ChEMBL_1981812 (CHEMBL4615074)	Inhibition of recombinant human DHODH using dihydroorotic acid as substrate in presence of 2 nM of DHODH by DCIP assay
50010584	1	ChEMBL_1981821 (CHEMBL4615083)	Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium flux preincubated for 1 hr followed by serotonin hydrochloride addition by calcium 6 dye based FLIPR assay
50010586	1	ChEMBL_1981863 (CHEMBL4615125)	Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phosphatase, choline oxidase and horseradish peroxidase dependent H2O2 detection-coupled amplex reagent based fluorescence assay
50010586	2	ChEMBL_1981875 (CHEMBL4615137)	Inhibition of PI4K3beta (unknown origin)
50010589	1	ChEMBL_1981889 (CHEMBL4615151)	Antagonist activity at rat P2X1 receptor
50010589	2	ChEMBL_1981892 (CHEMBL4615154)	Antagonist activity at non-desensitizing human P2X1 receptor ( P2X2/P2X1 chimera) expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx pre-incubated for 30 mins before ATP stimulation by FLIPR assay relative to control
50010589	3	ChEMBL_1981895 (CHEMBL4615157)	Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50010589	4	ChEMBL_1981897 (CHEMBL4615159)	Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50010589	5	ChEMBL_1981899 (CHEMBL4615161)	Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50010589	6	ChEMBL_1981901 (CHEMBL4615163)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay
50010589	7	ChEMBL_1981902 (CHEMBL4615164)	Antagonist activity P2X1 receptor in Apyrase pre-treated human platelets assessed as inhibition of collagen-induced platelet aggregation pre-incubated for 30 mins before collagen stimulation by aggregometry
50010589	8	ChEMBL_1981903 (CHEMBL4615165)	Antagonist activity P2X1 receptor in Apyrase pre-treated human platelets assessed as inhibition of TRAP6-induced platelet aggregation pre-incubated for 30 mins before TRAP6 stimulation by aggregometry
50010589	9	ChEMBL_1981904 (CHEMBL4615166)	Antagonist activity P2X1 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation pre-incubated for 30 mins before ADP stimulation by aggregometry
50010591	1	ChEMBL_1981908 (CHEMBL4615170)	Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation counting method
50010591	2	ChEMBL_1981909 (CHEMBL4615171)	Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation counting method
50010591	3	ChEMBL_1981910 (CHEMBL4615172)	Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation counting method
50010591	4	ChEMBL_1981911 (CHEMBL4615173)	Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation counting method
50010591	5	ChEMBL_1981912 (CHEMBL4615174)	Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed in CHO-K1 cell membranes incubated for 2 hrs by scintillation counting method
50010593	1	ChEMBL_1981918 (CHEMBL4615180)	Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	2	ChEMBL_1981921 (CHEMBL4615183)	Inhibition of human liver FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	3	ChEMBL_1981922 (CHEMBL4615184)	Inhibition of human liver FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	4	ChEMBL_1981923 (CHEMBL4615185)	Inhibition of human liver FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	5	ChEMBL_1981924 (CHEMBL4615186)	Inhibition of human liver FBPase C128S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	6	ChEMBL_1981925 (CHEMBL4615187)	Inhibition of human liver FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	7	ChEMBL_1981926 (CHEMBL4615188)	Inhibition of human liver FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010593	8	ChEMBL_1981927 (CHEMBL4615189)	Inhibition of human liver FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based assay
50010596	1	ChEMBL_1982048 (CHEMBL4615310)	Binding affinity to His-tagged RXRalpha LBD (unknown origin) expressed in Escherichia coli strain BL21 (DE3) by fluorescence quenching analysis
50010598	1	ChEMBL_1982121 (CHEMBL4615383)	Binding affinity to BRD7 (unknown origin)
50010598	2	ChEMBL_1982122 (CHEMBL4615384)	Binding affinity to BRD9 (unknown origin)
50010598	3	ChEMBL_1982123 (CHEMBL4615385)	Binding affinity to BRD9 (unknown origin) N-terminal bromodomain by TR-FRET assay
50010598	4	ChEMBL_1982124 (CHEMBL4615386)	Binding affinity to PCAF (unknown origin) N-terminal bromodomain by TR-FRET assay
50010598	5	ChEMBL_1982125 (CHEMBL4615387)	Binding affinity to BRD4 (1) (unknown origin) N-terminal bromodomain by TR-FRET assay
50010598	6	ChEMBL_1982129 (CHEMBL4615391)	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50010598	7	ChEMBL_1982130 (CHEMBL4615392)	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50010598	8	ChEMBL_1982131 (CHEMBL4615393)	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50010598	9	ChEMBL_1982134 (CHEMBL4615396)	Binding affinity to human partial length BRD4 (1) (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50010599	1	ChEMBL_1982186 (CHEMBL4615448)	Inhibition of CB2 receptor (unknown origin) expressed in Flpin-CHO cells incubated for 10 mins by Eu-cAMP tracer based cAMP accumulation assay
50010599	2	ChEMBL_1982184 (CHEMBL4615446)	Inhibition of CB1 receptor (unknown origin) expressed in Flpin-CHO cells incubated for 10 mins by Eu-cAMP tracer based cAMP accumulation assay
50010599	3	ChEMBL_1982182 (CHEMBL4615444)	Inhibition of human recombinant FAAH pre-incubated for 5 mins before substrate addition and further incubated for 30 mins by fluorescence assay
50010599	4	ChEMBL_1982181 (CHEMBL4615443)	Competitive inhibition of human recombinant MAGL at 31.25 nM to 125 nM pre-incubated for 5 mins before MAGL substrate addition and further incubated for 10 mins
50010599	5	ChEMBL_1982179 (CHEMBL4615441)	Inhibition of human recombinant MAGL pre-incubated for 5 mins before MAGL substrate addition and further incubated for 10 mins
50010599	6	ChEMBL_1982180 (CHEMBL4615442)	Inhibition of human recombinant MAGL
50010599	7	ChEMBL_1982176 (CHEMBL4615438)	Inhibition of rat FAAH
50010599	8	ChEMBL_1982175 (CHEMBL4615437)	Inhibition of human MAGL
50010599	9	ChEMBL_1982174 (CHEMBL4615436)	Inhibition of rat MAGL
50010599	10	ChEMBL_1982173 (CHEMBL4615435)	Inhibition of mouse MAGL
50010601	1	ChEMBL_1982220 (CHEMBL4615482)	Binding affinity to human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 end residues) at 25 degree C by microscale thermophoresis assay
50010605	1	ChEMBL_1982232 (CHEMBL4615494)	Antagonist activity at GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactivation incubated for 20 to 22 hrs by luciferase reporter gene assay
50010605	2	ChEMBL_1982235 (CHEMBL4615497)	Antagonist activity at GAL4-tagged human PPARgamma LBD expressed in human HepG2 cells assessed as inhibition of Wy14,643-induced receptor transactivation incubated for 20 to 22 hrs by luciferase reporter gene assay
50010606	1	ChEMBL_1982259 (CHEMBL4615521)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50010606	2	ChEMBL_1982260 (CHEMBL4615522)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50010606	3	ChEMBL_1982261 (CHEMBL4615523)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50010607	1	ChEMBL_1982302 (CHEMBL4615564)	Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 120 mins by scintillation counting method
50010607	2	ChEMBL_1982303 (CHEMBL4615565)	Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 120 mins by scintillation counting method
50010607	3	ChEMBL_1982304 (CHEMBL4615566)	Displacement of [3H]ifenprodil from GluN2B (unknown origin) expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method
50010610	1	ChEMBL_1982315 (CHEMBL4615577)	Inhibition of human N-terminal His6-tagged N-truncated human SGK1 harboring S422D mutant expressed in Sf21 cells using Sgktide-peptide as substrate in presence of [gamma-32P]ATP by scintillation counting method
50010612	1	ChEMBL_1982398 (CHEMBL4615660)	Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting
50010612	2	ChEMBL_1982399 (CHEMBL4615661)	Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting
50010612	3	ChEMBL_1982400 (CHEMBL4615662)	Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting
50010615	1	ChEMBL_1982472 (CHEMBL4615734)	Inhibition of HDAC6 in mouse N2A cells assessed as increase in alpha tubulin acetylation
50010615	2	ChEMBL_1982473 (CHEMBL4615735)	Inhibition of HDAC1 in mouse N2A cells
50010615	3	ChEMBL_1982474 (CHEMBL4615736)	Inhibition of HDAC6 in mouse N2A cells
50010617	1	ChEMBL_1982496 (CHEMBL4615758)	Agonist activity at human KOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50010617	2	ChEMBL_1982494 (CHEMBL4615756)	Agonist activity at human MOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50010617	3	ChEMBL_1982492 (CHEMBL4615754)	Agonist activity at human DOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50010617	4	ChEMBL_1982490 (CHEMBL4615752)	Displacement of [3H]diprenorphine human kappa opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method
50010617	5	ChEMBL_1982488 (CHEMBL4615750)	Displacement of [3H]diprenorphine human delta opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method
50010617	6	ChEMBL_1982489 (CHEMBL4615751)	Displacement of [3H]diprenorphine human MOR expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method
50010618	1	ChEMBL_1982498 (CHEMBL4615760)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	2	ChEMBL_1982499 (CHEMBL4615761)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	3	ChEMBL_1982501 (CHEMBL4615763)	Inhibition of recombinant human carbonic anhydrase 4 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	4	ChEMBL_1982500 (CHEMBL4615762)	Inhibition of recombinant human carbonic anhydrase 5A preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	5	ChEMBL_1982502 (CHEMBL4615764)	Inhibition of recombinant human carbonic anhydrase 5B preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	6	ChEMBL_1982503 (CHEMBL4615765)	Inhibition of recombinant human carbonic anhydrase 6 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	7	ChEMBL_1982504 (CHEMBL4615766)	Inhibition of recombinant human carbonic anhydrase 7 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	8	ChEMBL_1982505 (CHEMBL4615767)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	9	ChEMBL_1982506 (CHEMBL4615768)	Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010618	10	ChEMBL_1982507 (CHEMBL4615769)	Inhibition of recombinant human carbonic anhydrase 13 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010619	1	ChEMBL_1982511 (CHEMBL4615773)	Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by AF647-9-mer ETGE peptide addition and measured after 60 mins by TR-FRET assay
50010621	1	ChEMBL_1982515 (CHEMBL4615777)	Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay
50010623	1	ChEMBL_1982570 (CHEMBL4615832)	Displacement of Tracer Red from human ERG measured after 4 hrs by fluorescence polarization assay
50010623	2	ChEMBL_1982571 (CHEMBL4615833)	Inhibition of human microsomal CYP1A2 expressed in baculovirus infected insect cells using luciferin-1A2 as substrate preincubated with enzyme-substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay
50010623	3	ChEMBL_1982572 (CHEMBL4615834)	Inhibition of human microsomal CYP2D6 expressed in baculovirus infected insect cells using luciferin-ME as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay
50010623	4	ChEMBL_1982573 (CHEMBL4615835)	Inhibition of human microsomal CYP3A4 expressed in baculovirus infected insect cells using luciferin-IPA as substrate preincubated with enzyme/substrate mixture for 30 mins followed by further incubation with NADPH for 30 mins by CYP450 luciferase Glo assay
50010623	5	ChEMBL_1982578 (CHEMBL4615840)	Inhibition of wild type recombinant HIV1 His6-tagged integrase expressed in Escherichia coli BL21 using 18 nucleotide 3'-biotin labeled DNA acceptor as substrate preincubated for 1 hr followed by substrate addition and further incubated for 90 mins in presence of recombinant LEDGF/p75 by HTRF assay
50010624	1	ChEMBL_1982604 (CHEMBL4615866)	Inhibition of RNase H activity of recombinant His-tagged HIV-1 group M subtype B reverse transcriptase p66/p51 expressed in Escherichia coli M15 using 18-nucleotide 3'-fluorescein-labeled RNA/5'-dabcyl-labeled DNA hybrid as substrate incubated for 1 hr
50010624	2	ChEMBL_1982607 (CHEMBL4615869)	Inhibition of wild type HIV1 subtype B NL4-3 6xHis-tagged integrase expressed in Escherichia coli BL21 (DE3) assessed as inhibition of 3'-processing and strand-transfer reactions using DNA as substrate preincubated with enzyme for 1 hr followed by addition of recombinant 6xHis-tagged LEDGF/p75 expressed in Escherichia coli BL21 (DE3), DNA donor substrate and DNA acceptor substrate and further incubated for 90 mins by HTRF assay
50010624	3	ChEMBL_1982619 (CHEMBL4615881)	Inhibition of RNase H activity of recombinant HIV-1 reverse transcriptase p66/p51 expressed in Escherichia coli M15 using 5'-[gamma32P]ATP-labeled-tC5U RNA oligonucleotide/p12 DNA oligonucleotide hybrid as substrate incubated for 30 mins
50010625	1	ChEMBL_1982620 (CHEMBL4615882)	Inhibition of Trypanosoma brucei rhodesain using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay
50010625	2	ChEMBL_1982621 (CHEMBL4615883)	Inhibition of Trypanosoma brucei rhodesain in presence of curcumin using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay
50010627	1	ChEMBL_1982636 (CHEMBL4615898)	Inhibition of HIV-1 reverse transcriptase His-tagged p51 heterodimerization with HIV-1 reverse transcriptase p66 incubated for 16 hrs by ELISA
50010627	2	ChEMBL_1982637 (CHEMBL4615899)	Inhibition of recombinant HIV-1 BH10 reverse transcriptase p51/p66 expressed in Escherichia coli preincubated for 10 mins followed by D38/25PGA template-primer addition and measured after 10 to 30 secs by denaturing PAGE based single nucleotide incorporation assay
50010627	3	ChEMBL_1982639 (CHEMBL4615901)	Inhibition of recombinant HIV-1 BH10 reverse transcriptase p51/p66 expressed in Escherichia coli assessed as reduction in recovery of DNA polymerase activity preincubated with 15% acetonitrile for 15 hrs followed by compound addition and acetonitrile reduced to <1% using poly(rA)/oligo(dT)16 as template/primer in presence of [3H]dTTP
50010628	1	ChEMBL_1982643 (CHEMBL4615905)	Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter gene assay
50010629	1	ChEMBL_1982666 (CHEMBL4615928)	Inhibition of recombinant full length human N-terminal GST-tagged GSK3beta (1 to 420 end residues) expressed in baculovirus expression system using unphosphorylated peptide as substrate incubated enzyme-substrate mixture for 90 mins in presence of ATP by LANCE assay
50010629	2	ChEMBL_1982667 (CHEMBL4615929)	Inhibition of human ERG expressed in CHOK1 cells assessed as reduction in tail current by measuring tail current amplitude measured after deploarization to +20 mV for 2s followed by 1s pulse to -40 mV by whole cell patch clamp assay
50010629	3	ChEMBL_1982668 (CHEMBL4615930)	Inhibition of GSK3beta (unknown origin) transfected in HEK cells co-transfected with tau assessed as reduction in tau phosphorylation incubated for 18 hrs in presence of 1ug/ml doxycycline
50010629	4	ChEMBL_1982689 (CHEMBL4615951)	Inhibition of human recombinant GSK3alpha using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate incubated for 60 mins in presence of ATP at Km concentration by LANCE assay
50010629	5	ChEMBL_1982690 (CHEMBL4615952)	Inhibition of human DYRK1A in presence of ATP
50010629	6	ChEMBL_1982691 (CHEMBL4615953)	Inhibition of human LynB using His-tagged Rb truncated protein as substrate incubated for 30 mins in presence of ATP at Km concentration by HTRF assay
50010629	7	ChEMBL_1982692 (CHEMBL4615954)	Inhibition of human GRK2 in presence of ATP
50010629	8	ChEMBL_1982693 (CHEMBL4615955)	Inhibition of human CLK1 in presence of ATP
50010629	9	ChEMBL_1982694 (CHEMBL4615956)	Inhibition of human CDK2/cyclinA using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate incubated for 30 mins in presence of ATP by LANCE assay
50010629	10	ChEMBL_1982701 (CHEMBL4615963)	Inhibition of recombinant full length human GSK3beta expressed in Sf21 insect cells using biotinylated-AAEELDSRAGS(PO3H2)PQL peptide as substrate preincubated enzyme-substrate mixture for 15 to 20 mins followed by [gamma-33P]ATP addition and measured after 20 mins by scintillation proximity assay
50010630	1	ChEMBL_1982736 (CHEMBL4615998)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50010630	2	ChEMBL_1982737 (CHEMBL4615999)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50010630	3	ChEMBL_1982738 (CHEMBL4616000)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50010630	4	ChEMBL_1982739 (CHEMBL4616001)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50010632	1	ChEMBL_1982740 (CHEMBL4616002)	Inhibition of full length human C-terminal His-tagged PARP1 expressed in baculovirus infected Sf9 cells using chicken core histone as substrate incubated for 20 mins followed by [32P[-NAD+ addition and further incubated for 1 hr by liquid scintillation counter
50010632	2	ChEMBL_1982742 (CHEMBL4616004)	Inhibition of full length human N-terminal His-tagged PARP2 expressed in baculovirus infected Sf9 cells using histone H3.3 as substrate incubated for 20 mins followed by [32P[-NAD+ addition and further incubated for 1 hr by liquid scintillation counter
50010632	3	ChEMBL_1982744 (CHEMBL4616006)	Inhibition of full length human N-terminal GST-tagged TNKS1 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated for 20 mins followed by [32P[-NAD+ addition and further incubated for 1 hr by liquid scintillation counter
50010632	4	ChEMBL_1982746 (CHEMBL4616008)	Inhibition of full length human N-terminal GST-tagged TNKS2 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated for 20 mins followed by [32P[-NAD+ addition and further incubated for 1 hr by liquid scintillation counter
50010633	1	ChEMBL_1982757 (CHEMBL4616019)	Mixed type inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method
50010633	2	ChEMBL_1982756 (CHEMBL4616018)	Inhibition of human BChE using butyrylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method
50010633	3	ChEMBL_1982755 (CHEMBL4616017)	Inhibition of human AChE using acetylthiocholineiodide as substrate measured for every 30 sec for 5 mins by Ellman's method
50010634	1	ChEMBL_1982771 (CHEMBL4616033)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method
50010634	2	ChEMBL_1982772 (CHEMBL4616034)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation counting method
50010635	1	ChEMBL_1982886 (CHEMBL4616148)	Inhibition of recombinant full length human His-tagged DDX3X expressed in Escherichia coli using dsRNA as substrate measured after 40 mins in presence of ATP by FRET assay
50010638	1	ChEMBL_1982904 (CHEMBL4616166)	Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay
50010638	2	ChEMBL_1982903 (CHEMBL4616165)	Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay
50010638	3	ChEMBL_1982902 (CHEMBL4616164)	Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay
50010638	4	ChEMBL_1982901 (CHEMBL4616163)	Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay
50010638	5	ChEMBL_1982900 (CHEMBL4616162)	Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay
50010638	6	ChEMBL_1982899 (CHEMBL4616161)	Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay
50010638	7	ChEMBL_1982898 (CHEMBL4616160)	Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay
50010638	8	ChEMBL_1982897 (CHEMBL4616159)	Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay
50010639	1	ChEMBL_1983045 (CHEMBL4616307)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010639	2	ChEMBL_1983046 (CHEMBL4616308)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010639	3	ChEMBL_1983047 (CHEMBL4616309)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010639	4	ChEMBL_1983048 (CHEMBL4616310)	Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50010640	1	ChEMBL_1983060 (CHEMBL4616322)	Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay
50010640	2	ChEMBL_1983061 (CHEMBL4616323)	Displacement of [3H]-ditolylguanidine from human Sigma 2 receptor by radioligand displacement assay
50010640	3	ChEMBL_1983062 (CHEMBL4616324)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 150 mins by scintillation counting analysis
50010645	1	ChEMBL_1983088 (CHEMBL4616350)	Binding affinity to 14-3-3 zeta (unknown origin) by SPR analysis
50010645	2	ChEMBL_1983089 (CHEMBL4616351)	Binding affinity to 14-3-3 zeta (unknown origin) assessed as 14-3-3 zeta-synaptopodin interaction by fluorescence polarization assay
50010648	1	ChEMBL_1983098 (CHEMBL4616360)	Binding affinity to human Menin expressed in Escherichia coli BL21 (DE3) assessed as inhibition of Menin/MLL1 protein-protein at 20 degree C by isothermal titration calorimetry
50010648	2	ChEMBL_1983101 (CHEMBL4616363)	Binding affinity to RAB6A (unknown origin) assessed as inhibition of RAB6A/RAB61IP1 protein-protein interaction
50010648	3	ChEMBL_1983102 (CHEMBL4616364)	Binding affinity to IPTG-induced human ER alpha LBD (301 to 553 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of ER alpha/NR2A protein-protein interaction at 25 degree by surface plasmon resonance assay
50010648	4	ChEMBL_1983103 (CHEMBL4616365)	Binding affinity to recombinant N-terminal poly His-Trx tagged KCTD11 (15 to 115 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition of KCTD11/cullin3a protein-protein interaction by fluorescence polarization assay
50010648	5	ChEMBL_1983104 (CHEMBL4616366)	Binding affinity to beta-adaptin 1 (unknown origin) by fluorescence polarization assay
50010648	6	ChEMBL_1983105 (CHEMBL4616367)	Binding affinity to BCL-xl in murine B-cell lymphoma assessed as inhibition of BCL-xl/Bak protein-protein interaction
50010648	7	ChEMBL_1983106 (CHEMBL4616368)	Binding affinity to BCL-xl in murine B-cell lymphoma assessed as inhibition of BCL-xl/Bax protein-protein interaction
50010648	8	ChEMBL_1983107 (CHEMBL4616369)	Binding affinity to recombinant human MDM2 expressed in Escherichia coli DH5alpha assessed as inhibition of MDM2/p53 protein-protein interaction
50010648	9	ChEMBL_1983108 (CHEMBL4616370)	Binding affinity to N-terminal 6xHis-tagged MDM2 (unknown origin) (1 to 126 residues) assessed as inhibition of MDM2/p53 protein-protein interaction by fluorescence anisotrophy assay
50010648	10	ChEMBL_1983117 (CHEMBL4616379)	Inhibition of 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3)
50010648	11	ChEMBL_1983118 (CHEMBL4616380)	Binding affinity to 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3) assessed as inhibition constant
50010649	1	ChEMBL_1983119 (CHEMBL4616381)	Binding affinity to recombinant human C3d assessed as dissociation constant incubated for 5 mins by microscale thermophoresis assay
50010650	1	ChEMBL_1983189 (CHEMBL4616451)	Inhibition of recombinant human CYP3A4 using midazolam as substrate
50010650	2	ChEMBL_1983188 (CHEMBL4616450)	Inhibition of recombinant human CYP2C8
50010650	3	ChEMBL_1983187 (CHEMBL4616449)	Inhibition of recombinant human CYP3A5 using testosterone as substrate
50010650	4	ChEMBL_1983190 (CHEMBL4616452)	Inhibition of recombinant human CYP3A5 using midazolam as substrate
50010650	5	ChEMBL_1983186 (CHEMBL4616448)	Inhibition of recombinant human CYP3A4 using testosterone as substrate
50010650	6	ChEMBL_1983185 (CHEMBL4616447)	Inhibition of recombinant human CYP2E1
50010650	7	ChEMBL_1983184 (CHEMBL4616446)	Inhibition of recombinant human CYP2D6
50010650	8	ChEMBL_1983183 (CHEMBL4616445)	Inhibition of recombinant human CYP2C19
50010650	9	ChEMBL_1983182 (CHEMBL4616444)	Inhibition of recombinant human CYP2C9
50010650	10	ChEMBL_1983181 (CHEMBL4616443)	Inhibition of recombinant human CYP2B6
50010650	11	ChEMBL_1983180 (CHEMBL4616442)	Inhibition of recombinant human CYP2A6
50010650	12	ChEMBL_1983179 (CHEMBL4616441)	Inhibition of recombinant human CYP1A2
50010650	13	ChEMBL_1983178 (CHEMBL4616440)	Inhibition of recombinant human CYP3A5 using midazolam as substrate
50010650	14	ChEMBL_1983177 (CHEMBL4616439)	Inhibition of recombinant human CYP3A4 using midazolam as substrate
50010650	15	ChEMBL_1983176 (CHEMBL4616438)	Inhibition of recombinant human CYP2C8
50010650	16	ChEMBL_1983175 (CHEMBL4616437)	Inhibition of recombinant human CYP3A5 using testosterone as substrate
50010650	17	ChEMBL_1983174 (CHEMBL4616436)	Inhibition of recombinant human CYP3A4 using testosterone as substrate
50010650	18	ChEMBL_1983173 (CHEMBL4616435)	Inhibition of recombinant human CYP2E1
50010650	19	ChEMBL_1983172 (CHEMBL4616434)	Inhibition of recombinant human CYP2D6
50010650	20	ChEMBL_1983171 (CHEMBL4616433)	Inhibition of recombinant human CYP2C19
50010650	21	ChEMBL_1983170 (CHEMBL4616432)	Inhibition of recombinant human CYP2C9
50010650	22	ChEMBL_1983169 (CHEMBL4616431)	Inhibition of recombinant human CYP2B6
50010650	23	ChEMBL_1983168 (CHEMBL4616430)	Inhibition of recombinant human CYP2A6
50010650	24	ChEMBL_1983167 (CHEMBL4616429)	Inhibition of recombinant human CYP1A2
50010650	25	ChEMBL_1983166 (CHEMBL4616428)	Inhibition of recombinant human CYP3A5 using midazolam as substrate
50010650	26	ChEMBL_1983165 (CHEMBL4616427)	Inhibition of recombinant human CYP3A4 using midazolam as substrate
50010650	27	ChEMBL_1983164 (CHEMBL4616426)	Inhibition of recombinant human CYP2C8
50010650	28	ChEMBL_1983163 (CHEMBL4616425)	Inhibition of recombinant human CYP3A5 using testosterone as substrate
50010650	29	ChEMBL_1983162 (CHEMBL4616424)	Inhibition of recombinant human CYP3A4 using testosterone as substrate
50010650	30	ChEMBL_1983161 (CHEMBL4616423)	Inhibition of recombinant human CYP2E1
50010650	31	ChEMBL_1983160 (CHEMBL4616422)	Inhibition of recombinant human CYP2D6
50010650	32	ChEMBL_1983159 (CHEMBL4616421)	Inhibition of recombinant human CYP2C19
50010650	33	ChEMBL_1983158 (CHEMBL4616420)	Inhibition of recombinant human CYP2C9
50010650	34	ChEMBL_1983157 (CHEMBL4616419)	Inhibition of recombinant human CYP2B6
50010650	35	ChEMBL_1983156 (CHEMBL4616418)	Inhibition of recombinant human CYP2A6
50010650	36	ChEMBL_1983155 (CHEMBL4616417)	Inhibition of recombinant human CYP1A2
50010650	37	ChEMBL_1983145 (CHEMBL4616407)	Inhibition of human ERG by manual whole-cell patch-clamp assay
50010650	38	ChEMBL_1983144 (CHEMBL4616406)	Inhibition of human recombinant DPP9 incubated for 15 mins using Gly-Pro-7-AMC substrate
50010650	39	ChEMBL_1983143 (CHEMBL4616405)	Inhibition of human recombinant DPP8 incubated for 15 mins using Gly-Pro-7-AMC substrate
50010650	40	ChEMBL_1983121 (CHEMBL4616383)	Inhibition of human recombinant DPP4 incubated for 15 mins using Gly-Pro-7-AMC substrate
50010656	1	ChEMBL_1983208 (CHEMBL4616470)	Inhibition of human ERG by patch-clamp assay
50010656	2	ChEMBL_1983235 (CHEMBL4616497)	Inhibition of eIF4A1 in human HAP1 cells assessed as reduction in cell proliferation incubated for 72 hrs by CellTiter-Glo reagent based assay
50010656	3	ChEMBL_1983216 (CHEMBL4616478)	Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measuring Kd for AGAGAG + ATP complex formation SPR assay (Rvb = 8 +/- 0.9 microM)
50010656	4	ChEMBL_1983217 (CHEMBL4616479)	Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measuring Kd for GGCGGC + ATP complex formation SPR assay (Rvb = 8 +/- 0.3 microM)
50010656	5	ChEMBL_1983218 (CHEMBL4616480)	Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measuring Kd for CCGCCG + ATP complex formation SPR assay (Rvb = 3.27 +/- 0.06 microM)
50010656	6	ChEMBL_1983219 (CHEMBL4616481)	Binding affinity to full length recombinant eIF4A1 (unknown origin) assessed as induction ternary complex formation in presence of AGAGAG by measuring Kd for CAACAA + ATP complex formation SPR assay (Rvb = 3.78 +/- 0.05 microM)
50010656	7	ChEMBL_1983224 (CHEMBL4616486)	Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif repeat AGAGAG in 5'- UTR containing luciferase reporter gene assay
50010656	8	ChEMBL_1983225 (CHEMBL4616487)	Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif repeat GGCGGC in 5'- UTR containing luciferase reporter gene assay
50010656	9	ChEMBL_1983226 (CHEMBL4616488)	Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif repeat CCGCCG in 5'- UTR containing luciferase reporter gene assay
50010656	10	ChEMBL_1983227 (CHEMBL4616489)	Inhibition of eIF4A1 in human MDA-MB-231 cells assessed as inhibition of cellular-translation incubated for 4 hrs by specific tandem sequence motif repeat CAACAA in 5'- UTR containing luciferase reporter gene assay
50010659	1	ChEMBL_1983264 (CHEMBL4616526)	Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based assay
50010659	2	ChEMBL_1983263 (CHEMBL4616525)	Inhibition of human ATX by LPC choline release assay
50010659	3	ChEMBL_1983262 (CHEMBL4616524)	Inhibition of human ATX by fluorogenic substrate-3 assay
50010661	1	ChEMBL_1983276 (CHEMBL4616538)	Inhibition of human CA1 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50010661	2	ChEMBL_1983277 (CHEMBL4616539)	Inhibition of human CA2 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50010661	3	ChEMBL_1983278 (CHEMBL4616540)	Inhibition of human CA4 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50010661	4	ChEMBL_1983279 (CHEMBL4616541)	Inhibition of human CA12 preincubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50010662	1	ChEMBL_1983290 (CHEMBL4616552)	Binding affinity to purified integrin alphaVbeta3 receptor (unknown origin) incubated for 2 hrs
50010665	1	ChEMBL_1983302 (CHEMBL4616564)	Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization competition binding assay
50010667	1	ChEMBL_1983358 (CHEMBL4616764)	Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay
50010667	2	ChEMBL_1983359 (CHEMBL4616765)	Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec
50010667	3	ChEMBL_1983356 (CHEMBL4616762)	Inhibition of BTK in human whole blood cells after 1 hr by ELISA
50010667	4	ChEMBL_1983364 (CHEMBL4616770)	Inhibition of His-tagged BTK (unknown origin) after 1.5 hrs by HTRF analysis
50010667	5	ChEMBL_1983369 (CHEMBL4616775)	Inhibition of BTK in human peripheral B cells assessed as reduction in CD86 surface expression
50010667	6	ChEMBL_1983370 (CHEMBL4616776)	Inhibition of BTK in human memory B cells assessed as reduction in CD86 surface expression
50010667	7	ChEMBL_1983368 (CHEMBL4616774)	Inhibition of BTK in human peripheral B cells assessed as reduction in CD69 surface expression
50010667	8	ChEMBL_1983367 (CHEMBL4616773)	Inhibition of BTK in human PBMC assessed as reduction in TNFalpha expression
50010667	9	ChEMBL_1983371 (CHEMBL4616777)	Inhibition of BTK in human peripheral B cells assessed as reduction in CD69 surface expression by whole blood assay
50010667	10	ChEMBL_1983372 (CHEMBL4616778)	Inhibition of TEC (unknown origin)
50010667	11	ChEMBL_1983373 (CHEMBL4616779)	Inhibition of BMX (unknown origin)
50010667	12	ChEMBL_1983374 (CHEMBL4616780)	Inhibition of TXK (unknown origin)
50010667	13	ChEMBL_1983375 (CHEMBL4616781)	Inhibition of ITK (unknown origin)
50010667	14	ChEMBL_1983376 (CHEMBL4616782)	Inhibition of HER1 (unknown origin)
50010667	15	ChEMBL_1983377 (CHEMBL4616783)	Inhibition of HER4 (unknown origin)
50010667	16	ChEMBL_1983390 (CHEMBL4616796)	Inhibition of human ERG by patch clamp assay
50010667	17	ChEMBL_1983450 (CHEMBL4616856)	Inhibition of BTK in human whole blood cells after 30 mins by ELISA
50010667	18	ChEMBL_1983451 (CHEMBL4616857)	Inhibition of BTK in human whole blood cells after 120 mins by ELISA
50010668	1	ChEMBL_1983484 (CHEMBL4616890)	Inhibition of radiolabeled CP5549 binding to human Cannabinoid receptor 1 expressed in CHO cells by competition assay
50010669	1	ChEMBL_1983490 (CHEMBL4616896)	Inhibition of c-MET (unknown origin) assessed as reduction in ADP production incubated for 10 mins by spectrophotometric method
50010669	2	ChEMBL_1983491 (CHEMBL4616897)	Inhibition of MST1R (unknown origin)
50010670	1	ChEMBL_1983495 (CHEMBL4616901)	Inhibition of Influenza A virus (H1N1) neuraminidase
50010671	1	ChEMBL_1983552 (CHEMBL4616958)	Inhibition of ABL1 (unknown origin)
50010671	2	ChEMBL_1983553 (CHEMBL4616959)	Inhibition of SRC (unknown origin)
50010671	3	ChEMBL_1983551 (CHEMBL4616957)	Inhibition of FYN (unknown origin)
50010671	4	ChEMBL_1983550 (CHEMBL4616956)	Inhibition of YES (unknown origin)
50010671	5	ChEMBL_1983548 (CHEMBL4616954)	Inhibition of LYN (unknown origin)
50010671	6	ChEMBL_1983549 (CHEMBL4616955)	Inhibition of FGR (unknown origin)
50010671	7	ChEMBL_1983547 (CHEMBL4616953)	Inhibition of VEGFR1 (unknown origin)
50010671	8	ChEMBL_1983546 (CHEMBL4616952)	Inhibition of VEGFR2 (unknown origin)
50010672	1	ChEMBL_1983554 (CHEMBL4616960)	Inhibition of Escherichia coli beta-glucuronidase
50010672	2	ChEMBL_1983556 (CHEMBL4616962)	Inhibition of beta-glucuronidase (unknown origin)
50010672	3	ChEMBL_1983562 (CHEMBL4616968)	Inhibition of whole human gut bacterial beta-glucuronidase
50010672	4	ChEMBL_1983564 (CHEMBL4616970)	Inhibition of degranulated rat neutrophils beta-glucuronidase
50010672	5	ChEMBL_1983565 (CHEMBL4616971)	Inhibition of degranulated rat peritoneal mast cells beta-glucuronidase
50010672	6	ChEMBL_1983573 (CHEMBL4616979)	Inhibition of rat liver beta-glucuronidase
50010672	7	ChEMBL_1983574 (CHEMBL4616980)	Inhibition of Escherichia coli beta-glucuronidase using p-nitrophenyl-beta-D-glucuronide as substrate
50010672	8	ChEMBL_1983575 (CHEMBL4616981)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins
50010672	9	ChEMBL_1983576 (CHEMBL4616982)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-d-glucuronide as substrate after 30 mins by spectrophotometric analysis
50010672	10	ChEMBL_1983584 (CHEMBL4616990)	In-vivo inhibition of beta-glucuronidase in BALB/CJ mouse at 10 ug administered as twice daily
50010673	1	ChEMBL_1983597 (CHEMBL4617003)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 min interval by Ellman's method
50010673	2	ChEMBL_1983600 (CHEMBL4617006)	Inhibition of Torpedo californica AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured after 5 mins by Ellman's method
50010673	3	ChEMBL_1983598 (CHEMBL4617004)	Inhibition of equine serum BuChE using butylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 min interval by Ellman's method
50010673	4	ChEMBL_1983599 (CHEMBL4617005)	Inhibition of human AChE using acetylthiocholine chloride as substrate peincubated for 15 mins followed by substrate addition measured at 1 min interval by Ellman's method
50010673	5	ChEMBL_1983603 (CHEMBL4617009)	Inhibition of electric eel AChE by Ellman's method
50010673	6	ChEMBL_1983604 (CHEMBL4617010)	Inhibition of rat MAO A using kynuramine as substrate preincubated for 30 mins followed by substrate addition
50010673	7	ChEMBL_1983605 (CHEMBL4617011)	Inhibition of rat MAO B using kynuramine as substrate preincubated for 30 mins followed by substrate addition
50010673	8	ChEMBL_1983608 (CHEMBL4617014)	Inhibition of human MAO A
50010673	9	ChEMBL_1983609 (CHEMBL4617015)	Inhibition of human MAO B
50010673	10	ChEMBL_1983610 (CHEMBL4617016)	Inhibition of human AChE
50010673	11	ChEMBL_1983611 (CHEMBL4617017)	Inhibition of human BuChE
50010673	12	ChEMBL_1983612 (CHEMBL4617018)	Inhibition of equine serum BuChE by Ellman's method
50010674	1	ChEMBL_1983658 (CHEMBL4617064)	Inhibition of recombinant human MMP2 catalytic domain (Tyr110 to Asp452 residues) expressed in yeast cells using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2/TQ3-GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(6'-TAMRA)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 2 to 4 hrs by fluorometric analysis
50010674	2	ChEMBL_1983660 (CHEMBL4617066)	Inhibition of recombinant human MMP8 catalytic domain (Phe99 to Gln269 residues) expressed in Escherichia coli cells using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2/TQ3-GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(6'-TAMRA)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 2 to 4 hrs by fluorometric assay
50010674	3	ChEMBL_1983661 (CHEMBL4617067)	Inhibition of recombinant human MMP9 catalytic domain (Phe107 to Pro449 residues) expressed in Escherichia coli cells using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2/TQ3-GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(6'-TAMRA)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 2 to 4 hrs by fluorometric assay
50010674	4	ChEMBL_1983659 (CHEMBL4617065)	Inhibition of recombinant human MMP13 catalytic domain (Tyr104 to Asn274 residues) expressed in Escherichia coli cells using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2/TQ3-GABA-Pro-Cha-Abu-Smc-His-Ala-Dab(6'-TAMRA)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 2 to 4 hrs by fluorometric assay
50010675	1	ChEMBL_1983746 (CHEMBL4617152)	Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR as substrate measured after 15 mins by HPLC analysis
50010676	1	ChEMBL_1983771 (CHEMBL4617177)	Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation counting method
50010676	2	ChEMBL_1983770 (CHEMBL4617176)	Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting method
50010677	1	ChEMBL_1983834 (CHEMBL4617240)	Inhibition of EGFR L858R/T790M (unknown origin)
50010677	2	ChEMBL_1983835 (CHEMBL4617241)	Inhibition of wild type EGFR (unknown origin)
50010678	1	ChEMBL_1983879 (CHEMBL4617285)	Agonist activity at GPR119 (unknown origin) assessed as increase in cAMP level by cAMP HTRF assay
50010679	1	ChEMBL_1983887 (CHEMBL4617293)	Induction of human HMGCR-dCat-ELuc degradation expressed in HEK293 cells assessed as reduction in luciferase activity after 4 hrs by luciferase reporter assay
50010680	1	ChEMBL_1983944 (CHEMBL4617350)	Agonist activity at 5HT2C receptor (unknown origin)
50010680	2	ChEMBL_1983946 (CHEMBL4617352)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2C receptor (unknown origin)
50010680	3	ChEMBL_1983947 (CHEMBL4617353)	Agonist activity at 5HT2B receptor (unknown origin)
50010680	4	ChEMBL_1983949 (CHEMBL4617355)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2B receptor (unknown origin)
50010680	5	ChEMBL_1983957 (CHEMBL4617363)	Agonist activity at recombinant human 5HT2C receptor expressed in CHO cells assessed as accumulation of inositol phosphate measured after 30 mins in presence of [3H]inositol by scintillation counter method
50010680	6	ChEMBL_1983950 (CHEMBL4617356)	Partial agonist activity at 5HT2A receptor (unknown origin)
50010680	7	ChEMBL_1983952 (CHEMBL4617358)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2A receptor (unknown origin)
50010680	8	ChEMBL_1983953 (CHEMBL4617359)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2C receptor expressed in HEK293 cells measured after 2 hrs by scintillation counter method
50010680	9	ChEMBL_1983943 (CHEMBL4617349)	Binding affinity to 5HT2C receptor (unknown origin)
50010680	10	ChEMBL_1983954 (CHEMBL4617360)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2C receptor expressed in CHO cells measured after 120 mins by scintillation counter method
50010680	11	ChEMBL_1983955 (CHEMBL4617361)	Agonist activity at recombinant human 5HT2C receptor expressed in HEK293 cells assessed as accumulation of inositol phosphate measured after 2 hrs in presence of [3H]inositol by scintillation counter method
50010680	12	ChEMBL_1983965 (CHEMBL4617371)	Inhibition of CYP3A4 (unknown origin)
50010680	13	ChEMBL_1983966 (CHEMBL4617372)	Inhibition of CYP2C8 (unknown origin)
50010680	14	ChEMBL_1983967 (CHEMBL4617373)	Inhibition of CYP2C9 (unknown origin)
50010680	15	ChEMBL_1983968 (CHEMBL4617374)	Inhibition of CYP2C19 (unknown origin)
50010680	16	ChEMBL_1983969 (CHEMBL4617375)	Inhibition of CYP1A2 (unknown origin)
50010680	17	ChEMBL_1983970 (CHEMBL4617376)	Inhibition of CYP2D6 (unknown origin)
50010680	18	ChEMBL_1983999 (CHEMBL4617405)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2B receptor expressed in CHO cells measured after 120 mins by scintillation counter method
50010680	19	ChEMBL_1984000 (CHEMBL4617406)	Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from recombinant human 5HT2A receptor expressed in CHO cells measured after 120 mins by scintillation counter method
50010688	1	ChEMBL_1984004 (CHEMBL4617410)	Inhibition of HDAC8 (unknown origin)
50010688	2	ChEMBL_1984005 (CHEMBL4617411)	Inhibition of HDAC1 (unknown origin)
50010688	3	ChEMBL_1984006 (CHEMBL4617412)	Inhibition of HDAC2 (unknown origin)
50010688	4	ChEMBL_1984007 (CHEMBL4617413)	Inhibition of HDAC6 (unknown origin)
50010689	1	ChEMBL_1984008 (CHEMBL4617414)	Inhibition of NS5A in Hepatitis C virus subtype 1a replicon infected in human HuH7 cells assessed as reduction in viral replication
50010689	2	ChEMBL_1984009 (CHEMBL4617415)	Inhibition of NS5A in Hepatitis C virus subtype 1b replicon infected in human HuH7 cells assessed as reduction in viral replication
50010689	3	ChEMBL_1984010 (CHEMBL4617416)	Inhibition of NS5A in Hepatitis C virus subtype 2a replicon infected in human HuH7 cells assessed as reduction in viral replication
50010689	4	ChEMBL_1984012 (CHEMBL4617418)	Inhibition of NS5A in Hepatitis C virus subtype 1a replicon assessed as reduction in viral replication using Ac-Asp-Glu-Asp (EDANS)-Glu-Glu-Abu-(COO) Ala-Ser-Lys (DABCYL)-NH2 as substrate measured after 72 hrs by FRET assay
50010689	5	ChEMBL_1984013 (CHEMBL4617419)	Inhibition of NS5A in Hepatitis C virus subtype 1b replicon assessed as reduction in viral replication using Ac-Asp-Glu-Asp (EDANS)-Glu-Glu-Abu-(COO) Ala-Ser-Lys (DABCYL)-NH2 as substrate measured after 72 hrs by FRET assay
50010689	6	ChEMBL_1984014 (CHEMBL4617420)	Inhibition of NS5A in Hepatitis C virus subtype 2a replicon assessed as reduction in viral replication using Ac-Asp-Glu-Asp (EDANS)-Glu-Glu-Abu-(COO) Ala-Ser-Lys (DABCYL)-NH2 as substrate measured after 72 hrs by FRET assay
50010690	1	ChEMBL_1984021 (CHEMBL4617427)	Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay
50010691	1	ChEMBL_1984039 (CHEMBL4617445)	Agonist activity at human Gal4-fused ERalpha expressed in HEK293 cells assessed as transcriptional activation after 24 hrs by luciferase/beta-galactosidase reporter gene assay
50010691	2	ChEMBL_1984040 (CHEMBL4617446)	Antagonist activity at human Gal4-fused ERalpha expressed in HEK293 cells assessed as inhibition of E2-induced transcriptional activation after 24 hrs by luciferase/beta-galactosidase reporter gene assay
50010691	3	ChEMBL_1984042 (CHEMBL4617448)	Antagonist activity at human Gal4-fused ERbeta expressed in HEK293 cells assessed as inhibition of E2-induced transcriptional activation after 24 hrs by luciferase/beta-galactosidase reporter gene assay
50010692	1	ChEMBL_1984048 (CHEMBL4617454)	Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation assay
50010692	2	ChEMBL_1984049 (CHEMBL4617455)	Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation assay
50010693	1	ChEMBL_1984075 (CHEMBL4617481)	Inhibition of human ERG
50010693	2	ChEMBL_1984091 (CHEMBL4617497)	Inhibition of Escherichia coli N-terminal His6-tagged DNA gyrase A expressed in Escherichia coli using relaxed pBR322 DNA as substrate incubated for 1 hr by agarose gel electrophoresis method
50010693	3	ChEMBL_1984092 (CHEMBL4617498)	Inhibition of Staphylococcus aureus RN4220 DNA topoisomerase 4 expressed in Escherichia coli BL21(DE3) cells using supercoiled pBR322 DNA as substrate by agarose gel electrophoresis method
50010693	4	ChEMBL_1984074 (CHEMBL4617480)	Inhibition of Staphylococcus aureus DNA gyrase using positively supercoiled pBR322 DNA as substrate incubated for 25 mins by ethidium bromide staining based agarose gel electrophoresis method
50010695	1	ChEMBL_1984104 (CHEMBL4617510)	Inhibition of EGFR2 (unknown origin)
50010695	2	ChEMBL_1984105 (CHEMBL4617511)	Inhibition of EGFR1 (unknown origin)
50010695	3	ChEMBL_1984139 (CHEMBL4617545)	Inactivation of CYP3A4 (unknown origin)
50010695	4	ChEMBL_1984123 (CHEMBL4617529)	Inhibition of Sprague-Dawley rat liver mitochondrial MAO-A using [14C]-5-HT as substrate after 30 mins by liquid scintillation counting
50010695	5	ChEMBL_1984124 (CHEMBL4617530)	Inhibition of Sprague-Dawley rat liver mitochondrial MAO-B using [14C]-PEA as substrate after 30 mins by liquid scintillation counting
50010695	6	ChEMBL_1984125 (CHEMBL4617531)	Inhibition of acetylcholinesterase (unknown origin)
50010695	7	ChEMBL_1984126 (CHEMBL4617532)	Inhibition of butyrylcholinesterase (unknown origin)
50010695	8	ChEMBL_1984127 (CHEMBL4617533)	Inhibition of human MAO-A
50010695	9	ChEMBL_1984128 (CHEMBL4617534)	Inhibition of human MAO-B
50010695	10	ChEMBL_1984129 (CHEMBL4617535)	Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition by Ellman's method
50010695	11	ChEMBL_1984130 (CHEMBL4617536)	Inhibition of equine serum butyrylcholinesterase using butyrylthiocholine as substrate preincubated for 60 mins followed by substrate addition by Ellman's method
50010695	12	ChEMBL_1984131 (CHEMBL4617537)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 5 mins by Ellman's method
50010695	13	ChEMBL_1984132 (CHEMBL4617538)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins by Ellman's method
50010695	14	ChEMBL_1984133 (CHEMBL4617539)	Inhibition of human MAO-A using Tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by fluorometric method
50010695	15	ChEMBL_1984134 (CHEMBL4617540)	Inhibition of human MAO-B using Tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by fluorometric method
50010701	1	ChEMBL_1984141 (CHEMBL4617547)	Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production
50010701	2	ChEMBL_1984143 (CHEMBL4617549)	Inhibition of CYP450 (unknown origin)
50010701	3	ChEMBL_1984146 (CHEMBL4617552)	Agonist activity at PXR (unknown origin)
50010701	4	ChEMBL_1984147 (CHEMBL4617553)	Inhibition of human ERG
50010702	1	ChEMBL_1984151 (CHEMBL4617557)	Inhibition of Bcl-xL (unknown origin)/Bak interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 mins by fluorescein-labeled peptide displacement based fluorescence polarization assay
50010702	2	ChEMBL_1984152 (CHEMBL4617558)	Inhibition of Mcl-1 (unknown origin)/Bid interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 mins by fluorescein-labeled peptide displacement based fluorescence polarization assay
50010702	3	ChEMBL_1984153 (CHEMBL4617559)	Inhibition of Bcl2 (unknown origin)/Bim interaction preincubated for 5 mins followed by fluorescein-labeled peptide addition and measured after 10 mins by fluorescein-labeled peptide displacement based fluorescence polarization assay
50010707	1	ChEMBL_1984166 (CHEMBL4617572)	Inhibition of human full length CYP3A4 assessed using 7-benzyloxy-4 (trifluoromethyl)coumarin as substrate preincubated for 2 mins followed by substrate addition and measured for 2 mins by fluorometric analysis
50010707	2	ChEMBL_1984169 (CHEMBL4617575)	Inhibition of human full length CYP3A4 assessed using 7-benzyloxy-4 (trifluoromethyl)coumarin as substrate preincubated for 20 mins in presence of NADPH followed by substrate addition and measured for 2 mins by fluorometric analysis
50010708	1	ChEMBL_1984187 (CHEMBL4617593)	Inhibition of IL-6 induced STAT3 phosphorylation at Tyr705 residue in human MCF7 cells preincubated for 1 hr followed by IL-6 stimulation and measured after 1 hr by Western blot analysis
50010709	1	ChEMBL_1984199 (CHEMBL4617605)	Binding affinity to albumin (unknown origin)
50010709	2	ChEMBL_1984201 (CHEMBL4617607)	Inhibition of alpha1B adrenergic receptor (unknown origin)
50010709	3	ChEMBL_1984202 (CHEMBL4617608)	Inhibition of BACE1 (unknown origin)
50010710	1	ChEMBL_1984203 (CHEMBL4617609)	Inhibition of HIV1 protease by FRET assay
50010712	1	ChEMBL_1984204 (CHEMBL4617610)	Inhibition of human CLR/RAMP1
50010712	2	ChEMBL_1984213 (CHEMBL4617619)	Inhibition of human CLR/RAMP1 by cAMP assay
50010712	3	ChEMBL_1984211 (CHEMBL4617617)	Antagonist activity at human CLR/RAMP1
50010714	1	ChEMBL_1984220 (CHEMBL4617626)	Inhibition of SIRT1 deacetylation activity (unknown origin) using H3K9Ac (4 to 15 residues) as substrate by HPLC analysis
50010714	2	ChEMBL_1984221 (CHEMBL4617627)	Inhibition of SIRT2 deacetylation activity (unknown origin) using H3K9Ac ( 4 to 15 residues) as substrate by HPLC analysis
50010714	3	ChEMBL_1984222 (CHEMBL4617628)	Inhibition of SIRT3 deacetylation activity (unknown origin) using H3K9Ac (4 to 15 residues) as substrate by HPLC analysis
50010714	4	ChEMBL_1984218 (CHEMBL4617624)	Inhibition of SIRT5 desuccinylation activity (unknown origin) using H3K9Su (4 to 15 residues) as substrate by HPLC analysis
50010714	5	ChEMBL_1984223 (CHEMBL4617629)	Inhibition of SIRT2 deacetylation activity (unknown origin) using H4K8Ac (3 to 13 residues) as substrate by HPLC analysis
50010714	6	ChEMBL_1984224 (CHEMBL4617630)	Inhibition of SIRT2 defatty-acylation activity (unknown origin) using H4K8-Myr (3 to 13 residues) as substrate by HPLC analysis
50010714	7	ChEMBL_1984225 (CHEMBL4617631)	Inhibition of SIRT2 debenzoylation activity (unknown origin) using benzoylated histone H4K8 peptide (3 to 13 residues ) as substrate by HPLC analysis
50010715	1	ChEMBL_1984257 (CHEMBL4617663)	Inhibition of Electrophorus electricus AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method
50010715	2	ChEMBL_1984268 (CHEMBL4617674)	Inhibition of BuChE in rat serum using S-butylthiocholine iodide as substrate by Ellman's method
50010715	3	ChEMBL_1984270 (CHEMBL4617676)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate measured after 30 mins by fluorescence based assay
50010715	4	ChEMBL_1984271 (CHEMBL4617677)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate measured after 30 mins by fluorescence based assay
50010716	1	ChEMBL_1984280 (CHEMBL4617686)	Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis
50010716	2	ChEMBL_1984281 (CHEMBL4617687)	Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 secs for 10 mins by spectrophotometrically analysis
50010716	3	ChEMBL_1984296 (CHEMBL4617702)	Inhibition of mammalian chymotrypsin (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	4	ChEMBL_1984297 (CHEMBL4617703)	Inhibition of mammalian thrombin (unknown origin) using Benz-FVR-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	5	ChEMBL_1984298 (CHEMBL4617704)	Inhibition of mammalian neutrophil elastase (unknown origin) using MeOSuc-AAVP-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	6	ChEMBL_1984299 (CHEMBL4617705)	Inhibition of mammalian trypsin (unknown origin) using N-Bz-R-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	7	ChEMBL_1984300 (CHEMBL4617706)	Inhibition of mammalian plasmin (unknown origin) using H-D-VLK-pNA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	8	ChEMBL_1984302 (CHEMBL4617708)	Inhibition of mammalian urokinase (unknown origin) using NGK-pNA as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	9	ChEMBL_1984303 (CHEMBL4617709)	Inhibition of mammalian chymase (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	10	ChEMBL_1984304 (CHEMBL4617710)	Inhibition of mammalian DPP7 (unknown origin) using H-Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	11	ChEMBL_1984305 (CHEMBL4617711)	Inhibition of mammalian DPP8 (unknown origin) using Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	12	ChEMBL_1984306 (CHEMBL4617712)	Inhibition of mammalian DPP9 (unknown origin) using Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	13	ChEMBL_1984307 (CHEMBL4617713)	Inhibition of mammalian cathepsin G (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	14	ChEMBL_1984308 (CHEMBL4617714)	Inhibition of mammalian cathepsin A (unknown origin) using MCA-RPPGFSAFK-Dnp as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	15	ChEMBL_1984309 (CHEMBL4617715)	Inhibition of mammalian ECE-1 (unknown origin) using MCA-RPPGFSAFK(DNP)-OH as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	16	ChEMBL_1984310 (CHEMBL4617716)	Inhibition of mammalian ACE-2 (unknown origin) using Mca-APK(Dnp) as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	17	ChEMBL_1984311 (CHEMBL4617717)	Inhibition of mammalian MMP-1 (unknown origin) using McaPLGLDpaAR-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	18	ChEMBL_1984312 (CHEMBL4617718)	Inhibition of mammalian MMP-9 (unknown origin) using McaPLGLDpaAR-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins
50010716	19	ChEMBL_1984272 (CHEMBL4617678)	Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured every 10 secs for 10 mins by spectrophotometric analysis
50010718	1	ChEMBL_1984581 (CHEMBL4617987)	Inhibition of steroid sulfatase in human JEG3 cell lysates using [3H] E1S as substrate after 1 hr by scintillation spectrometry analysis
50010718	2	ChEMBL_1984579 (CHEMBL4617985)	Inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate incubated for 20 hrs by scintillation spectrometry analysis
50010719	1	ChEMBL_1984595 (CHEMBL4618001)	Inhibition of wild type recombinant HIV1 reverse transcriptase p66/p51 using poly(rA)/oligo(dT)16 as template/primer measured after 40 mins by picogreen dye-based spectrofluorometric method
50010720	1	ChEMBL_1984604 (CHEMBL4618010)	Displacement of [3H]nicotinic acid from GRP109A receptor (unknown origin) expressed in 293-EBNA cell membranes by liquid scintillation analysis
50010720	2	ChEMBL_1984605 (CHEMBL4618011)	Agonist activity at GPR109A receptor (unknown origin) expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS binding based microbeta scintillation counting analysis
50010720	3	ChEMBL_1984606 (CHEMBL4618012)	Agonist activity at GPR109A receptor in human adipocytes assessed as inhibition of lipolysis
50010724	1	ChEMBL_1984616 (CHEMBL4618022)	Inhibition of LSD1 (unknown origin)
50010725	1	ChEMBL_1984622 (CHEMBL4618028)	Inhibition of human FAAH
50010725	2	ChEMBL_1984624 (CHEMBL4618030)	Inhibition of CES2 (unknown origin)
50010729	1	ChEMBL_1984636 (CHEMBL4618042)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 2 mins by Ellman's method
50010731	1	ChEMBL_1984647 (CHEMBL4618053)	Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured after every 30 secs for 10 mins by photometric method
50010731	2	ChEMBL_1984649 (CHEMBL4618055)	Inhibition of human recombinant PTP1B (1 to 299 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 30 mins followed by substrate addition and measured after every 30 secs for 15 mins
50010731	3	ChEMBL_1984650 (CHEMBL4618056)	Inhibition of full length PTP1B (unknown origin) by ELISA
50010731	4	ChEMBL_1984651 (CHEMBL4618057)	Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins by photometric method
50010732	1	ChEMBL_1984675 (CHEMBL4618081)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins
50010733	1	ChEMBL_1984716 (CHEMBL4618122)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method
50010733	2	ChEMBL_1984714 (CHEMBL4618120)	Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method
50010733	3	ChEMBL_1984712 (CHEMBL4618118)	Inhibition of horse serum BuChE using butyrylthiocholine chloride as substrate by spectrophotometric based Ellman's method
50010736	1	ChEMBL_1984719 (CHEMBL4618125)	Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6 hrs by dual luciferase reporter gene assay
50010738	1	ChEMBL_1984808 (CHEMBL4618214)	Inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins in presence of bis-phosphorylated IRS1 peptide by fluorescence assay
50010739	1	ChEMBL_1984859 (CHEMBL4618265)	Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry
50010739	2	ChEMBL_1984889 (CHEMBL4618295)	Inhibition of human factor-7a using H-(D)-Ile-Pro-Arg-pNA substrate by spectrophotometry
50010739	3	ChEMBL_1984894 (CHEMBL4618300)	Inhibition of human factor-9a using Methyl-sulfonyl-D-cyclohexylglycyl-Gly-Arg-AMC substrate by spectrophotometry
50010739	4	ChEMBL_1984895 (CHEMBL4618301)	Inhibition of human factor-10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA substrate by spectrophotometry
50010739	5	ChEMBL_1984896 (CHEMBL4618302)	Inhibition of human factor-12a using H-(D)-CHT-Gly-ArgpNA substrate by spectrophotometry
50010739	6	ChEMBL_1984897 (CHEMBL4618303)	Inhibition of human thrombin using pyro-Glu-Pro-Arg-pNA(para-nitroaniline substrate by spectrophotometry
50010739	7	ChEMBL_1984898 (CHEMBL4618304)	Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA substrate by spectrophotometry
50010739	8	ChEMBL_1984899 (CHEMBL4618305)	Inhibition of human activated protein C using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry
50010739	9	ChEMBL_1984900 (CHEMBL4618306)	Inhibition of human plasmin using H-(D)-Val-Leu-Lys-pNA substrate by spectrophotometry
50010739	10	ChEMBL_1984901 (CHEMBL4618307)	Inhibition of human tissue-type plasminogen activator using H-(D)-Val-Leu-Lys-pNA substrate by spectrophotometry
50010739	11	ChEMBL_1984902 (CHEMBL4618308)	Inhibition of human tissue-type plasminogen activator using methyl-sulfonyl-D-cyclohexylalanyl-Gly-Arg-pNA substrate by spectrophotometry
50010739	12	ChEMBL_1984903 (CHEMBL4618309)	Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA substrate by spectrophotometry
50010739	13	ChEMBL_1984904 (CHEMBL4618310)	Inhibition of human chymotrypsin by spectrophotometry
50010739	14	ChEMBL_1984905 (CHEMBL4618311)	Inhibition of human tissue kallikrein-1 by spectrophotometry
50010741	1	ChEMBL_1984908 (CHEMBL4618314)	Inhibition of recombinant human full-length N-terminal GST-tagged p38alpha MAPK expressed in baculovirus infected Sf9 insect cells using p38 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by ADP-glo assay
50010741	2	ChEMBL_1984909 (CHEMBL4618315)	Inhibition of NanoBRET kinase tracer K4 binding to full-length human C-terminal NanoLuc-tagged p38alpha MAPK expressed in HEK293T cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50010741	3	ChEMBL_1984910 (CHEMBL4618316)	Inhibition of p38alpha MAPK in human whole blood assessed as reduction in LPS-induced TNFalpha production preincubated for 2.5 hrs followed by LPS stimulation by ELISA
50010745	1	ChEMBL_1984938 (CHEMBL4618344)	Inhibition of NIK (unknown origin)
50010745	2	ChEMBL_1984939 (CHEMBL4618345)	Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) expressed in baculovirus expression system incubated for 120 mins in presence of ATP by ADP-glo based luminescence assay
50010745	3	ChEMBL_1984941 (CHEMBL4618347)	Inhibition of human NIK using myelin basic protein as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	4	ChEMBL_1984942 (CHEMBL4618348)	Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	5	ChEMBL_1984943 (CHEMBL4618349)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	6	ChEMBL_1984944 (CHEMBL4618350)	Inhibition of human LRRK2 using [RLGRDKYKTLRQIRQ] as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	7	ChEMBL_1984945 (CHEMBL4618351)	Inhibition of human ACK1 using [EAIYAAPFAKKK] as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	8	ChEMBL_1984946 (CHEMBL4618352)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by hotspot assay
50010745	9	ChEMBL_1984947 (CHEMBL4618353)	Inhibition of human JAK3 using [GGEEEEYFELVKKKK] as substrate in presence of [gamma33P]ATP by hotspot assay
50010746	1	ChEMBL_1985011 (CHEMBL4618417)	Inhibition of proMMP2 activation in human WM115 cells assessed as reduction in MMP2 activity at 0.1 nM to 1 uM incubated for 24 hrs by gelatin zymography
50010746	2	ChEMBL_1985007 (CHEMBL4618413)	Binding affinity to N-terminal (His6)-MBP tagged full-length human proMMP2 expressed in Escherichia coli BL21(DE3) RIL assessed as reduction in Rhod-cy(WPHPY binding incubated for 30 mins by fluorescence polarization assay
50010746	3	ChEMBL_1985006 (CHEMBL4618412)	Binding affinity to N-terminal (His6)-MBP tagged full-length human proMMP2 expressed in Escherichia coli BL21(DE3) RIL incubated for 30 mins by fluorescence polarization assay
50010746	4	ChEMBL_1985005 (CHEMBL4618411)	Binding affinity to fluorescein-labeled D570-A583 epitope of human MMP2 expressed in Escherichia coli BL21(DE3) RIL incubated for 30 mins by competitive FRET assay
50010746	5	ChEMBL_1985004 (CHEMBL4618410)	Binding affinity to fluorescein-labeled D570-A583 epitope of human MMP2 expressed in Escherichia coli BL21(DE3) RIL incubated for 30 mins by FRET assay
50010748	1	ChEMBL_1985020 (CHEMBL4618426)	Inhibition of recombinant human DHODH expressed in baculovirus infected insect cells using dihydroorotate as substrate and decylubiquinone as co-substrate by 2,6-dichlorophenol-indophenol-coupled spectrophotometric analysis
50010748	2	ChEMBL_1985022 (CHEMBL4618428)	Inhibition of human DHODH using dihydroorotate as substrate and CoQ10 as co-substrate preincubated for 30 mins followed by substrate addition by DCIP coupled microplate reader assay
50010749	1	ChEMBL_1985214 (CHEMBL4618620)	Inhibition of human ERG by patch clamp assay
50010749	2	ChEMBL_1985217 (CHEMBL4618623)	Inhibition of CYP1A2 (unknown origin)
50010749	3	ChEMBL_1985218 (CHEMBL4618624)	Inhibition of CYP2C9 (unknown origin)
50010749	4	ChEMBL_1985219 (CHEMBL4618625)	Inhibition of CYP2C19 (unknown origin)
50010749	5	ChEMBL_1985220 (CHEMBL4618626)	Inhibition of CYP2D6 (unknown origin)
50010749	6	ChEMBL_1985221 (CHEMBL4618627)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50010750	1	ChEMBL_1985232 (CHEMBL4618638)	Inhibition of human TNKS2 (873 to 1162 residues) measured after 20 hrs in presence of NAD+ by fluorescence assay
50010750	2	ChEMBL_1985233 (CHEMBL4618639)	Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo luciferase reporter gene assay
50010750	3	ChEMBL_1985249 (CHEMBL4618655)	Inhibition of human TNKS1 (1030 to 1317 residues) measured after 20 hrs in presence of NAD+ by fluorescence assay
50010750	4	ChEMBL_1985250 (CHEMBL4618656)	Inhibition of ARTD1 (unknown origin) measured after 30 mins in presence of NAD+ by fluorescence assay
50010750	5	ChEMBL_1985251 (CHEMBL4618657)	Inhibition of ARTD2 (unknown origin) measured after 30 mins in presence of NAD+ by fluorescence assay
50010750	6	ChEMBL_1985252 (CHEMBL4618658)	Inhibition of ARTD3 (unknown origin) measured after 4 hrs in presence of NAD+ by fluorescence assay
50010750	7	ChEMBL_1985253 (CHEMBL4618659)	Inhibition of N-terminal His-tagged human ARTD4 (250 to 565 residues) expressed in Escherichia coli Rosetta2 (DE3) using TCEP as substrate after 2.5 hrs in presence of NAD+
50010750	8	ChEMBL_1985254 (CHEMBL4618660)	Inhibition of N-terminal His-tagged human ARTD7 (482 to 678 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 3 hrs in presence of NAD+
50010750	9	ChEMBL_1985255 (CHEMBL4618661)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD8 (1535 to 1801 residues) expressed in Escherichia coli Rosetta2 (DE3) after 21 hrs in presence of NAD+
50010750	10	ChEMBL_1985256 (CHEMBL4618662)	Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 13 hrs in presence of NAD+
50010750	11	ChEMBL_1985257 (CHEMBL4618663)	Inhibition of N-terminal His-tagged thioredoxin-fused human ARTD12 (469 to 701 residues) expressed in Escherichia coli Rosetta2 (DE3) after 20 hrs in presence of NAD+
50010750	12	ChEMBL_1985264 (CHEMBL4618670)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50010750	13	ChEMBL_1985231 (CHEMBL4618637)	Displacement of [3H]dofetilide from recombinant human ERG measured after 60 mins by scintillation counting method
50010751	1	ChEMBL_1985282 (CHEMBL4618688)	Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes
50010751	2	ChEMBL_1985283 (CHEMBL4618689)	Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes
50010751	3	ChEMBL_1985285 (CHEMBL4618691)	Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels after 30 mins by chemiluminescent detection based cAMP Hunter assay
50010751	4	ChEMBL_1985286 (CHEMBL4618692)	Inverse agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as increase in NKH477-stimulated intracellular cAMP levels after 30 mins by chemiluminescent based cAMP Hunter assay
50010753	1	ChEMBL_1985336 (CHEMBL4618742)	Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay
50010753	2	ChEMBL_1985337 (CHEMBL4618743)	Inhibition of human CYP11B1 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycortisol as substrate by HTRF assay
50010753	3	ChEMBL_1985342 (CHEMBL4618748)	Inhibition of CYP3A4 (unknown origin)
50010753	4	ChEMBL_1985343 (CHEMBL4618749)	Inhibition of CYP2D6 (unknown origin)
50010753	5	ChEMBL_1985344 (CHEMBL4618750)	Inhibition of CYP2C9 (unknown origin)
50010753	6	ChEMBL_1985335 (CHEMBL4618741)	Inhibition of CYP11B2 in HEK293 cell assessed as reduction in aldosterone by LC/MS-MS method
50010753	7	ChEMBL_1985334 (CHEMBL4618740)	Inhibition of CYP11B2 in HEK293 cell assessed as reduction in 18-hyroxycorticosterone by LC/MS-MS method
50010754	1	ChEMBL_1985369 (CHEMBL4618775)	Binding affinity to 6x-His tagged mouse recombinant p38alpha expressed in Escherichia coli Rosetta 2 (Novagen) cells by ITC analysis
50010755	1	ChEMBL_1985370 (CHEMBL4618776)	Inhibition of human recombinant His6Gb1-tagged HIF2alpha PAS B domain (240 to 350 residues)/human recombinant His6/FLAG-tagged ARNT PAS B domain (356 to 470 residues) interaction incubated for 15 mins by by AlphaScreen assay
50010755	2	ChEMBL_1985371 (CHEMBL4618777)	Inhibition of HIF2-alpha in human 786-0 cells cells harboring HRE-Luc2P reporter construct incubated for 48 hrs by ONE-Glo EX reagent based luminescence assay
50010756	1	ChEMBL_1985372 (CHEMBL4618778)	Activation of full length human STNG R71H/G230A/R293Q mutant expressed in Trichoplusia ni cell membrane incubated for 60 mins followed by addition of [3H]cGAMP by competitive binding assay
50010757	1	ChEMBL_1985374 (CHEMBL4618780)	Inhibition of full-length C-terminal His6 tagged TVMV-pFBgate fused human DGKalpha expressed in baculovirus infected Sf9 insect cells using liposome as substrate preincubated for 10 mins followed by compound addition and measured after 1 hr in presence of ATP by LIPGLO luminescence based assay
50010757	2	ChEMBL_1985375 (CHEMBL4618781)	Inhibition of full length C-terminal His6tagged TVMV-His-pFBgate fused human DGK-zeta expressed in baculovirus infected Sf9 insect cells using liposome as substrate preincubated for 10 mins followed by compound addition and measured after 1 hr in presence of ATP by LIPGLO luminescence based assay
50010757	3	ChEMBL_1985376 (CHEMBL4618782)	Inhibition of DGKA/DGKZ in human CD8 cells assessed as induction of CD8 activation by measuring IFNgamma level after 20 hrs by AlphaLISA assay
50010757	4	ChEMBL_1985377 (CHEMBL4618783)	Inhibition of DGKalpha/zeta in human whole blood assessed as induction of T-cell activation by measuring IFNgamma level preincubated for 1 hr followed by anti-human CD3/CD28 stimulation and measured after 24 hrs by AlphaLISA assay
50010759	1	ChEMBL_1985379 (CHEMBL4618785)	Inhibition of BRD4 bromodomain 2 (unknown origin) in HEK293 cells cotransfected with eGFP by flow cytometry based mCherry reporter gene analysis
50010759	2	ChEMBL_1985380 (CHEMBL4618786)	Binding affinity to CBRN (unknown origin) incubated for 60 mins by lenalidomide displacement assay
50010760	1	ChEMBL_1985395 (CHEMBL4618801)	Inhibition of CYP3A4 (unknown origin)
50010761	1	ChEMBL_1985421 (CHEMBL4618827)	Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA
50010762	1	ChEMBL_1985450 (CHEMBL4618856)	Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 4 days by XTT assay
50010762	2	ChEMBL_1985451 (CHEMBL4618857)	Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 4 days by XTT assay
50010762	3	ChEMBL_1985452 (CHEMBL4618858)	Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 4 days by Celltiter-Glo viability assay
50010762	4	ChEMBL_1985453 (CHEMBL4618859)	Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect incubated for 4 hrs followed by replacement of fresh medium containing compounds and measured after 3 days by ELISA
50010763	1	ChEMBL_1985498 (CHEMBL4618904)	Inhibition of full length recombinant human GST-tagged CSNK1D expressed in baculovirus expression system using casein as substrate incubated for 10 mins in presence of ATP by KinaseGlo luminescence assay
50010763	2	ChEMBL_1985499 (CHEMBL4618905)	Inhibition of porcine brain CK-1delta using RRKHAAIGpSAYSITA peptide as substrate incubated for 30 mins in presence of [gamma-33P]-ATP by scintillation counting method
50010764	1	ChEMBL_1985503 (CHEMBL4618909)	Inhibition of wild type human Naa50 (1852 to 2082 residues) expressed in Escherichia coli BL21(DE3) cells using MLGPEGGEGK peptide as substrate after 75 mins in presence of acetyl CoA by rapidfire mass spectrometry analysis
50010764	2	ChEMBL_1985504 (CHEMBL4618910)	Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of acetyl CoA by SPR analysis
50010764	3	ChEMBL_1985502 (CHEMBL4618908)	Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in presence of CoA by SPR analysis
50010764	4	ChEMBL_1985516 (CHEMBL4618922)	Binding affinity to full length human N-terminal His-tagged/GST-tagged Naa50 expressed in Escherichia coli BL21(DE3) cells in by SPR analysis
50010767	1	ChEMBL_1985519 (CHEMBL4618925)	Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50010768	1	ChEMBL_1985527 (CHEMBL4618933)	Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPATGGVKKP-NTPEGBiot peptide as substrate preincubated with [3H]SAM for 4 to 5 hrs followed by substrate addition and measured after 20 hrs by Topcount reader analysis
50010768	2	ChEMBL_1985528 (CHEMBL4618934)	Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation of H3K27 after 72 hrs by AlphaLISA assay
50010771	1	ChEMBL_1985551 (CHEMBL4618957)	Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells assessed as inhibition of constitutive receptor activity measured after 18 hrs by steady-glo luciferase reporter gene assay
50010771	2	ChEMBL_1985552 (CHEMBL4618958)	Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3 and CD28 stimulation for 20 hrs by AlphaLISA method
50010771	3	ChEMBL_1985556 (CHEMBL4618962)	Inverse agonist activity at Gal4-fused RORalpha (unknown origin)
50010771	4	ChEMBL_1985557 (CHEMBL4618963)	Inverse agonist activity at Gal4-fused RORbeta (unknown origin)
50010771	5	ChEMBL_1985558 (CHEMBL4618964)	Inverse agonist activity at RORgammat in mouse whole blood assessed as suppression of Th17 secretion
50010771	6	ChEMBL_1985559 (CHEMBL4618965)	Inverse agonist activity at PXR (unknown origin)
50010771	7	ChEMBL_1985560 (CHEMBL4618966)	Inverse agonist activity at LXRalpha (unknown origin)
50010771	8	ChEMBL_1985561 (CHEMBL4618967)	Inverse agonist activity at LXRbeta (unknown origin)
50010771	9	ChEMBL_1985562 (CHEMBL4618968)	Inhibition of recombinant CYP1A2 (unknown origin)
50010771	10	ChEMBL_1985563 (CHEMBL4618969)	Inhibition of recombinant CYP2C8 (unknown origin)
50010771	11	ChEMBL_1985564 (CHEMBL4618970)	Inhibition of recombinant CYP2C9 (unknown origin)
50010771	12	ChEMBL_1985565 (CHEMBL4618971)	Inhibition of recombinant CYP2D6 (unknown origin)
50010771	13	ChEMBL_1985566 (CHEMBL4618972)	Inhibition of recombinant CYP3A4 (unknown origin)
50010771	14	ChEMBL_1985601 (CHEMBL4619007)	Inhibition of recombinant CYP2C19 (unknown origin)
50010772	1	ChEMBL_1985605 (CHEMBL4619011)	Inhibition of human acidic mammalian chitinase using 4-methylumbelliferyl-beta-D-N,N',N''-diacetylchitobioside and 4-methylumbelliferyl-beta-D-N,N',N''-diacetylchitotrioside as substrate incubated for 10 mins by microplate fluorometry analysis
50010772	2	ChEMBL_1985606 (CHEMBL4619012)	Inhibition of human CHIT1
50010772	3	ChEMBL_1985608 (CHEMBL4619014)	Inhibition of full length recombinant C-terminal His-tagged human acidic mammalian chitinase expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N-diacetylchitobioside hydrate as substrate incubated for 60 mins under shaking condition by microplate fluorometry analysis
50010772	4	ChEMBL_1985609 (CHEMBL4619015)	Inhibition of full length recombinant C-terminal His-taged human CHIT1 expressed in CHOK1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N''-diacetylchitotrioside as substrate incubated for 60 mins under shaking condition by microplate fluorometry analysis
50010772	5	ChEMBL_1985611 (CHEMBL4619017)	Displacement of Tracer Red from human ERG by fluorescence polarization assay
50010772	6	ChEMBL_1985628 (CHEMBL4619034)	Inhibition of human ERG expressed in CHO-K1 cells by automated Qpatch-clamp assay
50010775	1	ChEMBL_1985630 (CHEMBL4619036)	Inhibition of recombinant human full-length N-terminal His6-tagged p110beta/human recombinant full-length untagged p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay
50010775	2	ChEMBL_1985631 (CHEMBL4619037)	Inhibition of human full length p110alpha/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay
50010775	3	ChEMBL_1985632 (CHEMBL4619038)	Inhibition of human p110delta catalytic subunit/p85alpha using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay
50010775	4	ChEMBL_1985633 (CHEMBL4619039)	Inhibition of human full length p110gamma using PIP2 as substrate after 30 mins in presence of ATP at 2xKm concentration by TR-FRET assay
50010775	5	ChEMBL_1985638 (CHEMBL4619044)	Inhibition of human CYP3A4
50010775	6	ChEMBL_1985642 (CHEMBL4619048)	Inhibition of PI3Kbeta in PTEN-deficient human PC3 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assay
50010775	7	ChEMBL_1985643 (CHEMBL4619049)	Inhibition of PI3Kbeta in PTEN-deficient human LNCaP C4-2 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assay
50010775	8	ChEMBL_1985644 (CHEMBL4619050)	Inhibition of PI3Kbeta in PTEN-deficient human LNCAP cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assay
50010775	9	ChEMBL_1985645 (CHEMBL4619051)	Inhibition of PI3Kbeta in PTEN-deficient human MDA-MB-415 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assay
50010775	10	ChEMBL_1985646 (CHEMBL4619052)	Inhibition of PI3Kbeta in PTEN-deficient human ZR-75-1 cells assessed as reduction in AKT phosphorylation at Ser473 residue after 2 hrs by mesoscale assay
50010775	11	ChEMBL_1985680 (CHEMBL4619086)	Inhibition of human CYP450
50010775	12	ChEMBL_1985681 (CHEMBL4619087)	Inhibition of human ERG
50010776	1	ChEMBL_1985683 (CHEMBL4619089)	Inhibition of recombinant human sEH using PHOME as substrate preincubated with enzyme for 10 mins prior to substrate addition by fluorescence based assay
50010776	2	ChEMBL_1985684 (CHEMBL4619090)	Inhibition of recombinant human C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells using 7-amido-4-methylcoumarin as substrate incubated for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50010776	3	ChEMBL_1985685 (CHEMBL4619091)	Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxynaphthaldehyde formation using PHOME as substrate incubated for 45 mins followed by substrate addition and measured for 45 mins by fluorescence based assay
50010776	4	ChEMBL_1985687 (CHEMBL4619093)	Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-4-methylcoumarin formation using L-arginine-7-amino-4-methylcoumarin as substrate incubated for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50010778	1	ChEMBL_1985689 (CHEMBL4619095)	Modulation of gamma secretase in human H4 cells overexpressing human APP695 harboring K595N/M596L Swedish double mutant assessed as reduction in total amyloid beta (1 to 42 residues) production measured after 24 hrs by AlphaLISA assay
50010778	2	ChEMBL_1985694 (CHEMBL4619100)	Modulation of gamma secretase in human H4 cells overexpressing human APP695 harboring K595N/M596L Swedish double mutant assessed as reduction in free amyloid beta (1 to 42 residues) production measured after 24 hrs by AlphaLISA assay
50010778	3	ChEMBL_1985695 (CHEMBL4619101)	Modulation of human gamma secretase expressed in HEK293 cells assessed as reduction in total amyloid beta (1 to 42 residues) production
50010778	4	ChEMBL_1985696 (CHEMBL4619102)	Modulation of human gamma secretase expressed in HEK293 cells assessed as reduction in free amyloid beta (1 to 42 residues) production
50010778	5	ChEMBL_1985698 (CHEMBL4619104)	Inhibition of human Notch1 expressed in HEK293 cells coexpressing luciferase reporter measured after 20 hrs by chemiluminescence assay
50010778	6	ChEMBL_1985700 (CHEMBL4619106)	Inhibition of human ERG
50010780	1	ChEMBL_1985724 (CHEMBL4619130)	Inhibition FITC-labeled BCoR peptide binding to wild type human BCL6 BTB domain (5 to 129 residues) expressed in baculovirus infected Sf9 cells after 30 mins by TR-FRET assay
50010781	1	ChEMBL_1985765 (CHEMBL4619171)	Antagonist activity at rat brain CB2 receptor expressed in HEK-Flp-In cells in presence of [3H]CP55940 measured after overnight incubation by Bright-Glo luminescence assay
50010781	2	ChEMBL_1985764 (CHEMBL4619170)	Antagonist activity at rat brain CB1 receptor expressed in HEK-Flp-In cells in presence of [3H]CP55940 measured after overnight incubation by Bright-Glo luminescence assay
50010781	3	ChEMBL_1985763 (CHEMBL4619169)	Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-yl)butyl)piperidin-4-yl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid from human P2Y14 expressed in CHO cells measured after 30 mins by FACScalibur flow cytometry analysis
50010781	4	ChEMBL_1985762 (CHEMBL4619168)	Displacement of Alexafluor488 labeled 4-(4-(1-(4-(1-(6-(4-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-3-carboxybenzamido)hexyl)-1H-1,2,3-triazol-4-yl)butyl)piperidin-4-yl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid from HA-tagged mouse P2Y14 expressed in HEK293 cells measured after 30 mins by FACScalibur flow cytometry analysis
50010782	1	ChEMBL_1985814 (CHEMBL4619220)	Allosteric inhibition of His-tagged CPS1 (unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as reduction in ADP level preincubated for 20 mins followed by ATP addition measured after 60 mins by ADP-Glo assay
50010782	2	ChEMBL_1985815 (CHEMBL4619221)	Inhibition of CPS1 in human pooled hepatocytes assessed as reduction in urea production measured after 16 hrs in presence of NH4Cl by tecan-plate reader analysis
50010783	1	ChEMBL_1985825 (CHEMBL4619231)	Agonist activity at human PAR2 expressed in HEK293T cells assessed as induction of Galphaq-stimulated IP1 formation incubated for 2 hrs by FRET assay
50010783	2	ChEMBL_1985827 (CHEMBL4619233)	Agonist activity at PK1-tagged PAR2 (unknown origin) expressed in HEK293 cells assessed as induction of beta-arrestin recruitment incubated for 90 mins by Pathhunter chemiluminescent assay
50010784	1	ChEMBL_1985838 (CHEMBL4619244)	Inhibition of EP300 (unknown origin)
50010784	2	ChEMBL_1985839 (CHEMBL4619245)	Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by scintillation proximity assay
50010784	3	ChEMBL_1985843 (CHEMBL4619249)	Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by scintillation proximity assay
50010784	4	ChEMBL_1985844 (CHEMBL4619250)	Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by scintillation proximity assay
50010784	5	ChEMBL_1985876 (CHEMBL4619282)	Inhibition of human ERG
50010784	6	ChEMBL_1985877 (CHEMBL4619283)	Inhibition of CYP2C8 (unknown origin)
50010784	7	ChEMBL_1985878 (CHEMBL4619284)	Inhibition of CYP2C19 (unknown origin)
50010784	8	ChEMBL_1985879 (CHEMBL4619285)	Inhibition of CYP3A4 (unknown origin)
50010784	9	ChEMBL_1985880 (CHEMBL4619286)	Inhibition of CYP2D6 (unknown origin)
50010784	10	ChEMBL_1985881 (CHEMBL4619287)	Inhibition of CYP1A2 (unknown origin)
50010784	11	ChEMBL_1985882 (CHEMBL4619288)	Inhibition of CYP2B6 (unknown origin)
50010784	12	ChEMBL_1985883 (CHEMBL4619289)	Inhibition of CYP2C9 (unknown origin)
50010785	1	ChEMBL_1985893 (CHEMBL4619299)	Antagonist activity at human CXCR7 receptor expressed in CHOK1 cell membranes assessed as reduction in beta-arrestin recruitment incubated for 30 mins
50010785	2	ChEMBL_1985890 (CHEMBL4619296)	Displacement of [125I]-CXCL12 from human CXCR7 receptor expressed in CHOK1 cell membranes incubated for 2 hrs by radiolabeled ligand binding assay
50010785	3	ChEMBL_1985892 (CHEMBL4619298)	Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in Jurkat cells incubated for 2 hrs by radiolabeled ligand binding assay
50010785	4	ChEMBL_1985891 (CHEMBL4619297)	Agonist activity at human CXCR7 receptor expressed in CHOK1 cell membranes assessed as increase in beta-arrestin recruitment incubated for 30 mins
50010786	1	ChEMBL_1985904 (CHEMBL4619310)	Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs
50010786	2	ChEMBL_1985911 (CHEMBL4619317)	Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs
50010787	1	ChEMBL_1985945 (CHEMBL4619351)	Induction of ERalpha degradation in human MCF7 cells after 4 hrs by FITC/Hoechst staining based immunofluorescence imaging analysis
50010787	2	ChEMBL_1985949 (CHEMBL4619355)	Induction of ERalpha degradation in human T47D cells
50010792	1	ChEMBL_1985963 (CHEMBL4619369)	Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFK substrate and ATP incubated for 30 mins by TR-FRET method
50010792	2	ChEMBL_1985970 (CHEMBL4619376)	Inhibition of PKCzeta in human THP1 cells assessed as reduction in LPS-induced TNFalpha production pre-incubated for 60 mins before LPS simulations for 4 hrs by HTRF assay
50010792	3	ChEMBL_1985973 (CHEMBL4619379)	Inhibition of PKD2 (unknown origin)
50010793	1	ChEMBL_1985988 (CHEMBL4619394)	Inhibition of human PDF using N-formylated peptide as substrate in presence of NAD+ by formate dehydrogenase-coupled spectrophotometric assay
50010793	2	ChEMBL_1985989 (CHEMBL4619395)	Inhibition of human PDF expressed in Escherichia coli BL21 pLysS using formyl-Met-Ala-His-Ala peptide as substrate measured after 1 hr by fluorescamine-based fluorescence assay
50010793	3	ChEMBL_1986009 (CHEMBL4619415)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-pNA as substrate preincubated for 20 mins followed by substrate addition and further incubated for 90 mins by fluorescence assay
50010793	4	ChEMBL_1986011 (CHEMBL4619417)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-pNA as substrate preincubated for 20 mins followed by substrate addition and further incubated for 90 mins by fluorescence assay
50010795	1	ChEMBL_1986034 (CHEMBL4619440)	Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method
50010795	2	ChEMBL_1986036 (CHEMBL4619442)	Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method
50010795	3	ChEMBL_1986038 (CHEMBL4619444)	Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50010795	4	ChEMBL_1986040 (CHEMBL4619446)	Displacement [3H]NECA from adenosine A3 receptor in human HeLa cell membranes incubated for 180 mins by scintillation counting method
50010795	5	ChEMBL_1986041 (CHEMBL4619447)	Inhibition of CYP3A4 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assay
50010795	6	ChEMBL_1986044 (CHEMBL4619450)	Inhibition of CYP2D6 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assay
50010796	1	ChEMBL_1986050 (CHEMBL4619456)	Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay
50010796	2	ChEMBL_1986049 (CHEMBL4619455)	Binding affinity to PDEdelta (unknown origin)
50010797	1	ChEMBL_1986128 (CHEMBL4619534)	Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs in presence of ATP by size exclusion HPLC analysis
50010797	2	ChEMBL_1986137 (CHEMBL4619543)	Inhibition of human ERG expressed in HEK293 cells measured after 10 mins by manual patch clamp electrophysiology method
50010797	3	ChEMBL_1986138 (CHEMBL4619544)	Inhibition of human ERG expressed in CHOK1 cells by QPatch automated patch-clamp assay
50010797	4	ChEMBL_1986145 (CHEMBL4619551)	Inhibition of human ERG expressed in CHOK1 cells measured for 10 mins by QPatch automated patch-clamp assay
50010798	1	ChEMBL_1986200 (CHEMBL4619606)	Inhibition of human ABL T315I mutant using EAIYAAPFAKKK substrate and [gamma-33P]-ATP incubated for 40 mins by scintillation counting method
50010798	2	ChEMBL_1986201 (CHEMBL4619607)	Inhibition of human LYN using poly(Glu,Tyr)4:1 substrate and [gamma-33P]-ATP incubated for 40 mins by scintillation counting method
50010798	3	ChEMBL_1986202 (CHEMBL4619608)	Inhibition of human c-SRC using poly(Glu,Tyr)4:1 substrate and [gamma-33P]-ATP incubated for 40 mins by scintillation counting method
50010798	4	ChEMBL_1986203 (CHEMBL4619609)	Inhibition of human VEGFR2 using MBP substrate and [gamma-33P]-ATP incubated for 40 mins by scintillation counting method
50010799	1	ChEMBL_1986242 (CHEMBL4619648)	Inhibition of C-terminal His-tagged and N-terminal GST-tagged full length human HDAC3 expressed in baculovirus expression system co-expressed with human NCOR2 using FAM-RHKK(Ac)-NH2 substrate incubated for 3 hrs by EMSA method
50010799	2	ChEMBL_1986243 (CHEMBL4619649)	Inhibition of C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 substrate incubated for 5 hrs by EMSA method
50010799	3	ChEMBL_1986244 (CHEMBL4619650)	Inhibition of N-terminal His-tagged full length human HDAC8 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated for 3 hrs by EMSA method
50010799	4	ChEMBL_1986245 (CHEMBL4619651)	Inhibition of N-terminal His-tagged full length human HDAC11 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated for 17 hrs by EMSA method
50010799	5	ChEMBL_1986246 (CHEMBL4619652)	Binding affinity to His-tagged recombinant human HDAC8 by SPR assay
50010799	6	ChEMBL_1986247 (CHEMBL4619653)	Binding affinity to human HDAC8 pre-incubated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization assay
50010799	7	ChEMBL_1986251 (CHEMBL4619657)	Inhibition of C-terminal FLAG and His-tagged full length human HDAC1 expressed in baculovirus expression system using FAM-TSRHK(Ac)KL-NH2 substrate incubated for 17 hrs by EMSA method
50010799	8	ChEMBL_1986252 (CHEMBL4619658)	Inhibition of C-terminal FLAG-tagged full length human HDAC2 expressed in baculovirus expression system using FAM-TSRHK(Ac)KL-NH2 substrate incubated for 17 hrs by EMSA method
50010799	9	ChEMBL_1986253 (CHEMBL4619659)	Inhibition of C-terminal GST-tagged human HDAC4 (101 to 1084 resides) expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated for 1.5 hrs by EMSA method
50010799	10	ChEMBL_1986254 (CHEMBL4619660)	Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated for 2 hrs by EMSA method
50010799	11	ChEMBL_1986255 (CHEMBL4619661)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus expression system using FAM-RHKK(TF-Ac)-NH2 substrate incubated for 3 hrs by EMSA method
50010799	12	ChEMBL_1986256 (CHEMBL4619662)	Inhibition of N-terminal His-tagged full length human HDAC10 expressed in baculovirus expression system using FAM-TSRHK(Ac)KL-NH2 substrate incubated for 17 hrs by EMSA method
50010799	13	ChEMBL_1986257 (CHEMBL4619663)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066residues) expressed in baculovirus expression system using FAM-RHK(TF-Ac)-NH2 substrate incubated for 3 hrs by EMSA method
50010800	1	ChEMBL_1986298 (CHEMBL4619845)	Inhibition of Zika virus NS2B-NS3 protease
50010800	2	ChEMBL_1986295 (CHEMBL4619842)	Inhibition of West Nile virus NS2B-NS3 protease
50010800	3	ChEMBL_1986297 (CHEMBL4619844)	Binding affinity to Zika virus NS2B-NS3 protease
50010800	4	ChEMBL_1986296 (CHEMBL4619843)	Binding affinity to West Nile virus NS2B-NS3 protease
50010800	5	ChEMBL_1986294 (CHEMBL4619841)	Inhibition of N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate
50010800	6	ChEMBL_1986304 (CHEMBL4619851)	Binding affinity to N-terminal His-tagged Zika virus NS2B-NS3 protease (1 to 187 residues) using Boc-Gly-Arg-Arg-AMC as substrate
50010800	8	ChEMBL_1986303 (CHEMBL4619850)	Allosteric inhibition of Zika virus NS2B-NS3 protease
50010801	1	ChEMBL_1986359 (CHEMBL4619906)	Inhibition of human HDAC6 after 30 mins by microplate reader analysis
50010801	2	ChEMBL_1986360 (CHEMBL4619907)	Inhibition of human HDAC6 (unknown origin)
50010801	3	ChEMBL_1986358 (CHEMBL4619905)	Inhibition of HDAC8 (unknown origin)
50010801	4	ChEMBL_1986361 (CHEMBL4619908)	Inhibition of HDAC1 (unknown origin)
50010801	5	ChEMBL_1986362 (CHEMBL4619909)	Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide as substrate preincubated for 24 hrs followed by substrate addition and measured after 30 mins by microtiter plate reader analysis
50010801	6	ChEMBL_1986357 (CHEMBL4619904)	Inhibition of human HDAC1 after 30 mins by microplate reader analysis
50010801	7	ChEMBL_1986353 (CHEMBL4619900)	Inhibition of human HDAC1
50010801	8	ChEMBL_1986354 (CHEMBL4619901)	Inhibition of C-terminal Flag-tagged HDAC6 (unknown origin) expressed in HEK293 cells or Sf21 cells using Ac-NH-GGK(Ac)-AMC peptide as substrate measured after 180 mins by fluorescence based assay
50010801	9	ChEMBL_1986356 (CHEMBL4619903)	Inhibition of C-terminal Flag-tagged HDAC1 (unknown origin) expressed in HEK293 cells or Sf21 cells using Ac-NH-GGK(Ac)-AMC peptide as substrate measured after 180 mins by fluorescence based assay
50010801	10	ChEMBL_1986355 (CHEMBL4619902)	Inhibition of C-terminal Flag-tagged HDAC1 (unknown origin) expressed in HEK293 cells or Sf21 cells using Ac-RHK(Ac)K(Ac)-AMC peptide as substrate measured after 180 mins by fluorescence based assay
50010806	1	ChEMBL_1986369 (CHEMBL4619916)	Inhibition of human EGFR-TK using PTK substrate after 40 mins in presence of ATP by Kinase-Glo luminescent assay
50010807	1	ChEMBL_1986381 (CHEMBL4619928)	Antagonist activity at D2 receptor (unknown origin) by HTRF cAMP assay
50010807	2	ChEMBL_1986382 (CHEMBL4619929)	Agonist activity at 5HT1A receptor (unknown origin) by calcium-dye based FLIPR assay
50010807	3	ChEMBL_1986383 (CHEMBL4619930)	Antagonist activity at 5HT2A receptor (unknown origin) by HTRF cAMP assay
50010807	4	ChEMBL_1986384 (CHEMBL4619931)	Agonist activity at D2 receptor (unknown origin)
50010807	5	ChEMBL_1986386 (CHEMBL4619933)	Antagonist activity at SERT receptor (unknown origin) by fluorescence based assay
50010807	6	ChEMBL_1986388 (CHEMBL4619935)	Antagonist activity at alpha-1a adrenergic receptor (unknown origin)
50010807	7	ChEMBL_1986398 (CHEMBL4619945)	Antagonist activity at H1 receptor (unknown origin)
50010807	8	ChEMBL_1986397 (CHEMBL4619944)	Antagonist activity at 5-HT2C receptor (unknown origin)
50010807	9	ChEMBL_1986396 (CHEMBL4619943)	Antagonist activity at muscarinic M3 receptor (unknown origin)
50010807	10	ChEMBL_1986395 (CHEMBL4619942)	Inhibition of human ERG
50010808	1	ChEMBL_1986461 (CHEMBL4620008)	Inhibition of XIAP-BIR2 domain (unknown origin)
50010808	2	ChEMBL_1986462 (CHEMBL4620009)	Inhibition of XIAP-BIR3 domain (unknown origin)
50010808	3	ChEMBL_1986465 (CHEMBL4620012)	Inhibition of CYP3A4 (unknown origin)
50010808	4	ChEMBL_1986467 (CHEMBL4620014)	Inhibition of MDM2 (unknown origin) by HTRF assay
50010808	5	ChEMBL_1986468 (CHEMBL4620015)	Inhibition of MDM2 (unknown origin)
50010808	6	ChEMBL_1986471 (CHEMBL4620018)	Inhibition of VHL (unknown origin) by fluorescence polarization assay
50010808	7	ChEMBL_1986472 (CHEMBL4620019)	Binding affinity to KEAP1 interaction with Nrf2 (unknown origin) by SRP assay
50010808	8	ChEMBL_1986470 (CHEMBL4620017)	Inhibition of KEAP1 interaction with Nrf2 (unknown origin) by SRP assay
50010809	1	ChEMBL_1986534 (CHEMBL4620081)	Inhibition of PDE5A (unknown origin)
50010809	2	ChEMBL_1986535 (CHEMBL4620082)	Inhibition of PDE2 (unknown origin)
50010809	3	ChEMBL_1986536 (CHEMBL4620083)	Inhibition of PDE4 (unknown origin)
50010809	4	ChEMBL_1986537 (CHEMBL4620084)	Inhibition of PDE6 (unknown origin)
50010809	5	ChEMBL_1986538 (CHEMBL4620085)	Inhibition of PDE9 (unknown origin)
50010809	6	ChEMBL_1986539 (CHEMBL4620086)	Inhibition of PDE10 (unknown origin)
50010810	1	ChEMBL_1986567 (CHEMBL4620114)	Negative allosteric modulation of human mGluR2 by FLIPR assay
50010810	2	ChEMBL_1986568 (CHEMBL4620115)	Inhibition of human mGluR3 by FLIPR assay
50010810	3	ChEMBL_1986574 (CHEMBL4620121)	Negative allosteric modulation of rat mGluR2 by FLIPR assay
50010810	4	ChEMBL_1986575 (CHEMBL4620122)	Negative allosteric modulation of human mGluR2 by GTPgammaS binding assay
50010810	5	ChEMBL_1986576 (CHEMBL4620123)	Negative allosteric modulation of rat mGluR2 by GTPgammaS binding assay
50010810	6	ChEMBL_1986577 (CHEMBL4620124)	Antagonist activity at mGluR1 (unknown origin) by FLIPR assay
50010810	7	ChEMBL_1986578 (CHEMBL4620125)	Antagonist activity at mGluR3 (unknown origin) by FLIPR assay
50010810	8	ChEMBL_1986579 (CHEMBL4620126)	Antagonist activity at mGluR4 (unknown origin) by FLIPR assay
50010810	9	ChEMBL_1986580 (CHEMBL4620127)	Antagonist activity at mGluR7 (unknown origin) by FLIPR assay
50010810	10	ChEMBL_1986581 (CHEMBL4620128)	Antagonist activity at mGluR8 (unknown origin) by FLIPR assay
50010810	11	ChEMBL_1986582 (CHEMBL4620129)	Antagonist activity at mGluR6 (unknown origin) by FLIPR assay
50010810	12	ChEMBL_1986586 (CHEMBL4620133)	Inhibition of CYP3A4 (unknown origin)
50010810	13	ChEMBL_1986587 (CHEMBL4620134)	Modulating activity at PXR (unknown origin)
50010817	1	ChEMBL_1986596 (CHEMBL4620143)	Inhibition of AKR1B1 in rat lenses
50010818	1	ChEMBL_1986602 (CHEMBL4620149)	Inhibition of LMTK3 (unknown origin)
50010819	1	ChEMBL_1986674 (CHEMBL4620221)	Binding affinity to human carbonic anhydrase 9 assessed as dissociation constant by isothermal titration calorimetric assay
50010819	2	ChEMBL_1986667 (CHEMBL4620214)	Inhibition of human carbonic anhydrase 2 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysis
50010819	3	ChEMBL_1986668 (CHEMBL4620215)	Inhibition of human carbonic anhydrase 9 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysis
50010819	4	ChEMBL_1986669 (CHEMBL4620216)	Inhibition of human carbonic anhydrase 5A using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysis
50010820	1	ChEMBL_1986731 (CHEMBL4620278)	Inhibition of biotinylated ligand binding to wild-type human partial length CDK8 (M1 to T360 residues) expressed in Escherichia coli BL21 measured after 1 hr by kinomescan assay
50010820	2	ChEMBL_1986762 (CHEMBL4620309)	Binding affinity to CDK8 (unknown origin)
50010822	1	ChEMBL_1986769 (CHEMBL4620316)	Inhibition of HDAC in human HeLa cell extracts assessed as inhibition of substrate deacetylation using Boc-Lys (acetyl)-AMC as substrate by fluorescence based assay
50010822	2	ChEMBL_1986770 (CHEMBL4620317)	Inhibition of HDAC1 (unknown origin)
50010822	3	ChEMBL_1986771 (CHEMBL4620318)	Inhibition of HDAC2 (unknown origin)
50010822	4	ChEMBL_1986772 (CHEMBL4620319)	Inhibition of HDAC3 (unknown origin)
50010822	5	ChEMBL_1986773 (CHEMBL4620320)	Inhibition of HDAC6 (unknown origin)
50010822	6	ChEMBL_1986774 (CHEMBL4620321)	Inhibition of HDAC7 (unknown origin)
50010822	7	ChEMBL_1986775 (CHEMBL4620322)	Inhibition of HDAC8 (unknown origin)
50010823	1	ChEMBL_1986805 (CHEMBL4620352)	Inhibition of recombinant human full length IDO1 by mass spectrometry based enzymatic assay
50010823	2	ChEMBL_1986806 (CHEMBL4620353)	Inhibition of IDO1 (unknown origin)
50010823	3	ChEMBL_1986807 (CHEMBL4620354)	Inhibition of TDO (unknown origin) using L-tryptophan as substrate incubated for 20 mins by fluorescence based assay
50010823	4	ChEMBL_1986808 (CHEMBL4620355)	Inhibition of IDO1 in human HeLa cells
50010823	5	ChEMBL_1986812 (CHEMBL4620359)	Inhibition of recombinant human TDO expressed in Escherichia coli BL21 using L-Trp as substrate incubated for 30 mins by enzymatic assay
50010826	1	ChEMBL_1986847 (CHEMBL4620394)	Agonist activity at human NMUR2 expressed in CHO cells by Fluo-4-AM dye based calcium mobilization assay
50010828	1	ChEMBL_1986856 (CHEMBL4620403)	Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes by Microbeta scintillation counting method
50010828	2	ChEMBL_1986857 (CHEMBL4620404)	Binding affinity to H3R (unknown origin)
50010829	1	ChEMBL_1986873 (CHEMBL4620420)	Agonist activity at TRPA1 (unknown origin)
50010834	1	ChEMBL_1986888 (CHEMBL4620435)	Inhibition of human recombinant TYK2 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQID and ATP by mobility shift assay
50010834	2	ChEMBL_1986887 (CHEMBL4620434)	Inhibition of human recombinant JAK1 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQUID and ATP by mobility shift assay
50010834	3	ChEMBL_1986886 (CHEMBL4620433)	Inhibition of human recombinant JAK2 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility shift assay
50010834	4	ChEMBL_1986885 (CHEMBL4620432)	Inhibition of human recombinant JAK3 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility shift assay
50010834	5	ChEMBL_1986890 (CHEMBL4620437)	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha-induced STAT phosphorylation by flow cytometry
50010834	6	ChEMBL_1986891 (CHEMBL4620438)	Inhibition of JAK1/TYK2 in human whole blood assessed as EPO signalling in CD34+ cells by flow cytometry
50010834	7	ChEMBL_1986907 (CHEMBL4620454)	Inhibition of human recombinant EGFR in presence of substrate Ulight-CAGAGAIETDKEYYTVKD and Km ATP
50010834	8	ChEMBL_1986908 (CHEMBL4620455)	Inhibition of human recombinant VEGFR2 in presence of substrate Ulight-CAGAGAIETDKEYYTVKD and Km ATP
50010835	1	ChEMBL_1986947 (CHEMBL4620494)	Inhibition of Mycobacterium tuberculosis LeuRS expressed in Escherichia coli Rosetta (DE3) cells
50010836	1	ChEMBL_1986966 (CHEMBL4620513)	Inhibition of HDAC in human HeLa cell nuclear extract using fluor-de-lys as substrate by spectrofluorometric analysis
50010836	2	ChEMBL_1986977 (CHEMBL4620524)	Inhibition of HDAC1 (unknown origin)
50010836	3	ChEMBL_1986978 (CHEMBL4620525)	Inhibition of HDAC2 (unknown origin)
50010836	4	ChEMBL_1986979 (CHEMBL4620526)	Inhibition of HDAC8 (unknown origin)
50010837	1	ChEMBL_1986988 (CHEMBL4620535)	Inhibition of HSP90alpha (unknown origin)
50010838	1	ChEMBL_1986993 (CHEMBL4620540)	Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay
50010838	2	ChEMBL_1986994 (CHEMBL4620541)	Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay
50010838	3	ChEMBL_1986999 (CHEMBL4620546)	Inhibition of GST-tagged TCPTP (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay
50010838	4	ChEMBL_1986997 (CHEMBL4620544)	Inhibition of SHP1 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay
50010839	1	ChEMBL_1987005 (CHEMBL4620552)	Inhibition of GFP-tagged KRAS G12V mutant (unknown origin) expressed in MDCK cells cotransfected with mCherry-CAXX assessed as increase in KRAS G12V-plasma membrane dissociation incubated for 48 hrs by quantitative confocal microscopic method
50010842	1	ChEMBL_1987049 (CHEMBL4620596)	Inhibition of ovine COX1 by ELISA
50010842	2	ChEMBL_1987050 (CHEMBL4620597)	Inhibition of ovine COX2 by ELISA
50010844	1	ChEMBL_1987059 (CHEMBL4620606)	Inhibition of human recombinant CDK9/Cyclin T expressed in baculovirus in Sf9 insect cells using SPTSPSYSPTSPSYSPTSPSKKKK as substrate in presence of ATP incubated for 50 mins by ADP-GloTM assay
50010844	2	ChEMBL_1987061 (CHEMBL4620608)	Inhibition of human recombinant Haspin (470 to 798 residues) expressed in bacteria using Histone H3 and ARTKQTARKSTGGKAPRKQLA as substrate in presence of ATP incubated for 50 mins by ADP-GloTM assay
50010845	1	ChEMBL_1987069 (CHEMBL4620616)	Inhibition of COMT (unknown origin)
50010845	2	ChEMBL_1987070 (CHEMBL4620617)	Inhibition of recombinant human MAOB expressed in insect cells measured after 20 mins by fluorescence spectrophotometry
50010845	3	ChEMBL_1987068 (CHEMBL4620615)	Inhibition of recombinant human MAOA using kynuramine as substrate by fluorescence based assay
50010845	4	ChEMBL_1987067 (CHEMBL4620614)	Inhibition of recombinant human MAOB using kynuramine as substrate by fluorescence based assay
50010845	5	ChEMBL_1987066 (CHEMBL4620613)	Inhibition of rat liver COMT using esculetin as substrate by fluorescence based spectrophotometry
50010845	6	ChEMBL_1987071 (CHEMBL4620618)	Inhibition of recombinant human MAOA expressed in insect cells measured after 20 mins by fluorescence spectrophotometry
50010846	1	ChEMBL_1987115 (CHEMBL4620662)	Inhibition of human PI3K (p110alpha/p85alpha) by HTRF assay
50010846	2	ChEMBL_1987114 (CHEMBL4620661)	Inhibition of human PI3K p110delta by HTRF assay
50010846	3	ChEMBL_1987112 (CHEMBL4620659)	Inhibition of human PI3K p110beta by HTRF assay
50010846	4	ChEMBL_1987113 (CHEMBL4620660)	Inhibition of human PI3K p110gamma by HTRF assay
50010847	1	ChEMBL_1987138 (CHEMBL4620685)	Inhibition of human carbonic anhydrase 1 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay
50010847	2	ChEMBL_1987137 (CHEMBL4620684)	Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay
50010847	3	ChEMBL_1987139 (CHEMBL4620686)	Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay
50010847	4	ChEMBL_1987140 (CHEMBL4620687)	Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 6 hrs by stopped-flow CO2 hydration assay
50010849	1	ChEMBL_1987161 (CHEMBL4620708)	Binding affinity to human RORbeta by thermofluor assay
50010849	2	ChEMBL_1987160 (CHEMBL4620707)	Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A production measured after 3 days by ELISA
50010849	4	ChEMBL_1987158 (CHEMBL4620705)	Binding affinity to human RORgamma LBD by thermofluor thermal shift assay
50010849	5	ChEMBL_1987174 (CHEMBL4620721)	Inhibition of CYP1A2 (unknown origin)
50010849	6	ChEMBL_1987175 (CHEMBL4620722)	Inhibition of CYP2C19 (unknown origin)
50010849	7	ChEMBL_1987176 (CHEMBL4620723)	Inhibition of CYP2C8 (unknown origin)
50010849	8	ChEMBL_1987177 (CHEMBL4620724)	Inhibition of CYP2C9 (unknown origin)
50010849	9	ChEMBL_1987178 (CHEMBL4620725)	Inhibition of CYP2D6 (unknown origin)
50010849	10	ChEMBL_1987179 (CHEMBL4620726)	Inhibition of CYP3A4 (unknown origin)
50010849	11	ChEMBL_1987189 (CHEMBL4620736)	Inhibition of human ERG
50010849	12	ChEMBL_1987190 (CHEMBL4620737)	Inhibition of human ERG by patch clamp assay
50010852	1	ChEMBL_1987223 (CHEMBL4620770)	Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated for 15 mins followed by substrate and 2 mM ATP addition and measured after 60 mins by TR-FRET assay
50010852	2	ChEMBL_1987222 (CHEMBL4620769)	Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated for 15 mins followed by substrate and 10 uM ATP addition and measured after 60 mins by TR-FRET assay
50010852	3	ChEMBL_1987224 (CHEMBL4620771)	Inhibition of MPS1 in human HeLa cells assessed as reduction in spindle assembly checkpoint incubated for 4 hrs by p-histone H3/Hoechst 33342 staining based microscopic analysis
50010853	1	ChEMBL_1987253 (CHEMBL4620800)	Antagonist activity at PTHR1 (unknown origin) expressed in CHOK1 cells co-expressing Gs/Gq assessed as reduction in human PTH (1 to 34 residues)-induced cAMP level incubated for 30 mins
50010855	1	ChEMBL_1987296 (CHEMBL4620843)	Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method
50010855	2	ChEMBL_1987297 (CHEMBL4620844)	Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method
50010855	3	ChEMBL_1987298 (CHEMBL4620845)	Displacement of [3H]-DPDPE from human delta opiod receptor expressed in human HEK293 cells incubated for 60 mins by liquid scintillation counting method
50010855	4	ChEMBL_1987301 (CHEMBL4620848)	Antagonist activity at human mu opiod receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding incubated for 4 hrs by microbeta liquid scintillation counting method
50010855	5	ChEMBL_1987302 (CHEMBL4620849)	Antagonist activity at human kappa opiod receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding incubated for 4 hrs by microbeta liquid scintillation counting method
50010855	6	ChEMBL_1987303 (CHEMBL4620850)	Antagonist activity at human delta opiod receptor expressed in human HEK293 cells assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding incubated for 2 hrs by microbeta liquid scintillation counting method
50010856	1	ChEMBL_1987321 (CHEMBL4620868)	Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microscopic analysis
50010857	1	ChEMBL_1987673 (CHEMBL4621220)	Substrate activity at OATP1B3 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay
50010857	2	ChEMBL_1987674 (CHEMBL4621221)	Substrate activity at OATP1B1 (unknown origin) expressed in HEK293 cells assessed as cytotoxicity incubated for 48 hrs by sulforhodamine B assay
50010858	1	ChEMBL_1987680 (CHEMBL4621227)	Inhibition of Pseudomonas aeruginosa PA14 LasB using 2-Aminobenzoyl-AlaGly-Leu-Ala-4-Nitrobenzylamide as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by FRET assay
50010858	2	ChEMBL_1987681 (CHEMBL4621228)	Inhibition of Clostridium histolyticum ColH peptidase domain expressed in Escherichia coli BL21(DE3) cells using Mca-Ala-Gly-Pro-Pro-Gly-Pro-Dpa-Gly-Arg-NH2 as substrate preincubated for 1 hr followed by substrate addition measured for 2 mins by FRET assay
50010858	3	ChEMBL_1987693 (CHEMBL4621240)	Inhibition of recombinant human HDAC3 expressed in insect cells using R-H-K-K(Ac)-AFC as substrate by fluorescence assay
50010858	4	ChEMBL_1987694 (CHEMBL4621241)	Inhibition of recombinant human HDAC8 expressed in baculovirus infected insect cells using R-H-K(Ac)-K(Ac)-AFC as substrate by fluorescence assay
50010858	5	ChEMBL_1987695 (CHEMBL4621242)	Inhibition of recombinant human TACE1 expressed in insect cells using FRET-tagged substrate by FRET assay
50010858	6	ChEMBL_1987703 (CHEMBL4621250)	Inhibition of Pseudomonas aeruginosa LasB using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as fluorogenic substrate by fluorimetric assay
50010859	1	ChEMBL_1987740 (CHEMBL4621287)	Inhibition of HIV/EBOV GP Y517S mutant infected in 293T cells assessed as reduction in virus entry
50010859	2	ChEMBL_1987741 (CHEMBL4621288)	Inhibition of HIV/EBOV GP T519V mutant infected in 293T cells assessed as reduction in virus entry
50010859	3	ChEMBL_1987746 (CHEMBL4621293)	Inhibition of recombinant human CYP3A4 expressed in baculovirus infected insect cell microsomes using vivid DBOMF as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of NAD+ by fluorescence assay
50010859	4	ChEMBL_1987752 (CHEMBL4621299)	Inhibition of recombinant human CYP2C9 expressed in baculovirus infected insect cell microsomes using fluorescent substrate in presence of NADPH by fluorescence assay
50010859	5	ChEMBL_1987747 (CHEMBL4621294)	Inhibition of recombinant human CYP2C9 expressed in baculovirus infected insect cell microsomes using vivid BOMF as substrate preincubated for 10 mins followed by substrate addition and measured after 25 mins in presence of NAD+ by fluorescence assay
50010859	6	ChEMBL_1987751 (CHEMBL4621298)	Inhibition of recombinant human CYP3A4 expressed in baculovirus infected insect cell microsomes using fluorescent substrate in presence of NADPH by fluorescence assay
50010860	1	ChEMBL_1987821 (CHEMBL4621368)	Binding affinity to Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay
50010860	2	ChEMBL_1987822 (CHEMBL4621369)	Binding affinity to Influenza A virus (A/California/04/2009(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay
50010861	1	ChEMBL_1987832 (CHEMBL4621379)	Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50010861	2	ChEMBL_1987836 (CHEMBL4621383)	Inhibition of human complement FD by TR-FRET assay
50010861	3	ChEMBL_1987837 (CHEMBL4621384)	Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50010861	4	ChEMBL_1987839 (CHEMBL4621386)	Inhibition of human ERG by Qpatch assay
50010861	5	ChEMBL_1987854 (CHEMBL4621401)	Inhibition of human F7a using fluorescent peptide as substrate by florescence assay
50010861	6	ChEMBL_1987859 (CHEMBL4621406)	Inhibition of human plasmin using fluorescent peptide as substrate by florescence assay
50010861	7	ChEMBL_1987840 (CHEMBL4621387)	Inhibition of N-terminal human plasma F11a catalytic domain expressed in Escherichia coli strain BL21(DE3) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50010861	8	ChEMBL_1987855 (CHEMBL4621402)	Inhibition of human F9a using fluorescent peptide as substrate by florescence assay
50010861	9	ChEMBL_1987856 (CHEMBL4621403)	Inhibition of human F10a using fluorescent peptide as substrate by florescence assay
50010861	10	ChEMBL_1987857 (CHEMBL4621404)	Inhibition of human thrombin using fluorescent peptide as substrate by florescence assay
50010861	11	ChEMBL_1987858 (CHEMBL4621405)	Inhibition of human tPa using fluorescent peptide as substrate by florescence assay
50010861	12	ChEMBL_1987860 (CHEMBL4621407)	Inhibition of human urokinase using fluorescent peptide as substrate by florescence assay
50010861	13	ChEMBL_1987861 (CHEMBL4621408)	Inhibition of CYP3A4 (unknown origin)
50010861	14	ChEMBL_1987862 (CHEMBL4621409)	Inhibition of CYP2C9 (unknown origin)
50010861	15	ChEMBL_1987863 (CHEMBL4621410)	Inhibition of CYP2D6 (unknown origin)
50010861	16	ChEMBL_1987864 (CHEMBL4621411)	Inhibition of COX1 (unknown origin)
50010861	17	ChEMBL_1987865 (CHEMBL4621412)	Inhibition of PDE4D (unknown origin)
50010861	18	ChEMBL_1987866 (CHEMBL4621413)	Inhibition of VMAT2 (unknown origin)
50010861	19	ChEMBL_1987867 (CHEMBL4621414)	Inhibition of human uPA using fluorescent peptide as substrate by florescence assay
50010861	20	ChEMBL_1987903 (CHEMBL4621450)	Inhibition of BSEP (unknown origin)
50010862	1	ChEMBL_1987911 (CHEMBL4621458)	Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene assay
50010862	2	ChEMBL_1987910 (CHEMBL4621457)	Antagonist activity at human Gq-coupled 5HT2B receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium mobilization by calcium-sensitive dye based FLIPR assay
50010863	1	ChEMBL_1987996 (CHEMBL4621543)	Inhibition of NTMT1 (unknown origin)
50010863	2	ChEMBL_1987998 (CHEMBL4621545)	Inhibition of NTMT1 (unknown origin) pre-incubated for 10 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay
50010863	3	ChEMBL_1987999 (CHEMBL4621546)	Inhibition of NTMT1 (unknown origin) pre-incubated for 10 mins before GPKRIA peptide substrate addition and measured after 20 mins by MALDI-MS methylation assay
50010863	4	ChEMBL_1988000 (CHEMBL4621547)	Time dependent inhibition of NTMT1 (unknown origin) pre-incubated for 10 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay based Morrison's quadratic equation analysis
50010863	5	ChEMBL_1988001 (CHEMBL4621548)	Time dependent inhibition of NTMT1 (unknown origin) pre-incubated for 30 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay based Morrison's quadratic equation analysis
50010863	6	ChEMBL_1988002 (CHEMBL4621549)	Time dependent inhibition of NTMT1 (unknown origin) pre-incubated for 60 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay based Morrison's quadratic equation analysis
50010863	7	ChEMBL_1988003 (CHEMBL4621550)	Time dependent inhibition of NTMT1 (unknown origin) pre-incubated for 90 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay based Morrison's quadratic equation analysis
50010863	8	ChEMBL_1988004 (CHEMBL4621551)	Time dependent inhibition of NTMT1 (unknown origin) pre-incubated for 120 mins before GPKRIA peptide substrate addition by SAHH coupled fluorescence assay based Morrison's quadratic equation analysis
50010863	9	ChEMBL_1988006 (CHEMBL4621553)	Binding affinity to NTMT1 (unknown origin) assessed as binding constant Kd1 by ITC assay
50010863	10	ChEMBL_1988007 (CHEMBL4621554)	Binding affinity to NTMT1 (unknown origin) assessed as binding constant Kd2 by ITC assay
50010865	1	ChEMBL_1988030 (CHEMBL4621577)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition and measured for 15 mins by FRET assay
50010865	2	ChEMBL_1988032 (CHEMBL4621579)	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition measured for 15 mins by fluorimetric analysis
50010865	3	ChEMBL_1988034 (CHEMBL4621581)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease transfected in human HeLa cells measured after 24 hrs by Renilla-luciferase reporter gene assay
50010865	4	ChEMBL_1988037 (CHEMBL4621584)	Inhibition of Dengue virus serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by HPLC analysis
50010865	5	ChEMBL_1988039 (CHEMBL4621586)	Inhibition of West Nile virus NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Gly-Leu-Lys-Arg-Gly-Gly-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by HPLC analysis
50010865	6	ChEMBL_1988041 (CHEMBL4621588)	Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 15 mins by fluorimetric assay
50010873	1	ChEMBL_1988060 (CHEMBL4621607)	Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ measured after 90 mins by scintillation counting analysis
50010873	2	ChEMBL_1988061 (CHEMBL4621608)	Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells
50010873	3	ChEMBL_1988062 (CHEMBL4621609)	Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 2 hrs by microbeta liquid scintillation counting analysis
50010873	4	ChEMBL_1988063 (CHEMBL4621610)	Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in human HEC1B cells
50010873	5	ChEMBL_1988067 (CHEMBL4621614)	Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 assessed as induction of beta-arrestin1 recruitment measured for 40 mins by D-luciferin based luminescence assay
50010873	6	ChEMBL_1988069 (CHEMBL4621616)	Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 assessed as induction of beta-arrestin2 recruitment measured for 40 mins by D-luciferin based luminescence assay
50010873	7	ChEMBL_1988071 (CHEMBL4621618)	Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as intracellular calcium mobilization measured for 43 secs in presence of coelenterazine by aequorin-reporter gene based luminescence assay
50010874	1	ChEMBL_1988078 (CHEMBL4621625)	Inhibition of Staphylococcus aureus SrtA delta N24 mutant expressed in Escherichia coli BL21 (DE3) assessed as reduction in IsdA (64 to 323 residues) transpeptidation incubated for 20 mins by SDS-PAGE analysis
50010874	2	ChEMBL_1988077 (CHEMBL4621624)	Inhibition of Staphylococcus aureus SrtA delta N24 mutant expressed in Escherichia coli BL21 (DE3) using Abz-LPATG-Dnp substrate incubated for 20 mins by FRET-based assay
50010875	1	ChEMBL_1988115 (CHEMBL4621662)	Inhibition of AICAR transformylase (unknown origin)
50010875	2	ChEMBL_1988113 (CHEMBL4621660)	Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis
50010877	1	ChEMBL_1988141 (CHEMBL4621688)	Inhibition of MAOA (unknown origin)
50010878	1	ChEMBL_1988149 (CHEMBL4621696)	Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay
50010878	2	ChEMBL_1988150 (CHEMBL4621697)	Inhibition of human Fc-tagged PD1 N-terminal domain (Leu25 to Gln167 residues) expressed in HEK293 cells/human His-tagged PDL1 (Phe19 to Arg238 residues) expressed in HEK293 cells protein-protein interaction after 40 mins by APC-labeled anti-His antibody/Eu-labeled anti-human IgG based HTRF assay
50010878	3	ChEMBL_1988151 (CHEMBL4621698)	Inhibition of human C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 to Arg238 residues) expressed in HEK293 cells protein-protein interaction preincubated for 15 mins with PDL1 followed by PD1 addition and measured after 15 mins by APC-labeled anti-His antibody/Eu-labeled anti-human IgG based HTRF assay
50010878	4	ChEMBL_1988152 (CHEMBL4621699)	Inhibition of human PD1/PDL1 protein-protein interaction in human PBMC-derived CD3-positive T cells co-cultured with human Hep3B cells expressing human PDL1/OS-8 assessed as increase in IFNgamma secretion measured after 72 hrs by ELISA
50010878	5	ChEMBL_1988186 (CHEMBL4621733)	Inhibition of mouse biotin-labelled C-terminal Fc-fused/Avi-tagged PD1/Fc-fused PDL1 expressed in HEK293 cells protein-protein interaction measured after 2 hrs by ELISA
50010880	1	ChEMBL_1988242 (CHEMBL4621789)	Displacement of FITC-labelled probe from human SOS1 catalytic domain (564 to 1049 residues) incubated for 20 mins by fluorescence polarization competition assay
50010880	2	ChEMBL_1988245 (CHEMBL4621792)	Agonist activity at His6-tagged-human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli BL21-CodonPlus-RIPL cells assessed as increase in SOS1-mediated GDP/GTP nucleotide exchange upon K-Ras G12D mutant (1 to 169 residues) by BODIPY-GDP assay
50010880	3	ChEMBL_1988241 (CHEMBL4621788)	Binding affinity to IVLM methyl-labeled SOS1 catalytic domain (566 to 1046 residues) (unknown origin) by 1H-13C HMQC NMR analysis
50010881	1	ChEMBL_1988251 (CHEMBL4621798)	Inhibition of PI3Kdelta (unknown origin)
50010881	2	ChEMBL_1988252 (CHEMBL4621799)	Binding affinity to PI3Kdelta (unknown origin) by SPR based van't Hoff analysis
50010881	3	ChEMBL_1988253 (CHEMBL4621800)	Inhibition of PI3Kalpha (unknown origin)
50010881	4	ChEMBL_1988254 (CHEMBL4621801)	Inhibition of PI3Kbeta (unknown origin)
50010881	5	ChEMBL_1988255 (CHEMBL4621802)	Inhibition of PI3Kgamma (unknown origin)
50010881	6	ChEMBL_1988256 (CHEMBL4621803)	Inhibition of PI3Kdelta in whole blood (unknown origin) assessed as reduction in cytostim-induced IFNgamma production
50010882	1	ChEMBL_1988321 (CHEMBL4621868)	Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assay
50010883	1	ChEMBL_1988372 (CHEMBL4621919)	Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS peptide as substrate preincubated for 15 mins followed by ATP addition at Km concentration and further incubated for 150 mins by ADP-Glo assay
50010883	2	ChEMBL_1988385 (CHEMBL4621932)	Inhibition of PI3Kalpha in human BT474 cells expressing P3KCA mutant assessed as reduction in AKT phosphorylation at residue S473 incubated for 2 hrs followed by insulin addition by ELISA
50010883	3	ChEMBL_1988386 (CHEMBL4621933)	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at residue S473 measured after 30 mins by sandwich ELISA
50010883	4	ChEMBL_1988387 (CHEMBL4621934)	Inhibition of PI3Kdelta in human Jeko1 cells assessed as reduction in AKT phosphorylation at residue S473 measured after 2 hrs by sandwich ELISA
50010883	5	ChEMBL_1988388 (CHEMBL4621935)	Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at residue S473 treated with mouse C5a component and measured after 3 mins
50010883	6	ChEMBL_1988418 (CHEMBL4621965)	Inhibition of human ERG
50010883	7	ChEMBL_1988419 (CHEMBL4621966)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50010883	8	ChEMBL_1988420 (CHEMBL4621967)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50010883	9	ChEMBL_1988421 (CHEMBL4621968)	Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50010883	10	ChEMBL_1988422 (CHEMBL4621969)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50010883	11	ChEMBL_1988423 (CHEMBL4621970)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50010885	1	ChEMBL_1988427 (CHEMBL4621974)	Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC reagent based HPLC-fluorimetric analysis
50010885	2	ChEMBL_1988428 (CHEMBL4621975)	Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC reagent based HPLC-fluorimetric analysis
50010885	3	ChEMBL_1988429 (CHEMBL4621976)	Inhibition of human eNOS using L-argininge as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC reagent based HPLC analysis
50010887	1	ChEMBL_1988445 (CHEMBL4621992)	Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days by crystal violet staining based spectrophotometry
50010887	2	ChEMBL_1988446 (CHEMBL4621993)	Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days by crystal violet staining based spectrophotometry
50010887	3	ChEMBL_1988448 (CHEMBL4621995)	Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometry
50010887	4	ChEMBL_1988449 (CHEMBL4621996)	Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometry
50010887	5	ChEMBL_1988451 (CHEMBL4621998)	Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometry
50010887	6	ChEMBL_1988452 (CHEMBL4621999)	Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometry
50010890	1	ChEMBL_1988608 (CHEMBL4622155)	Antagonist activity at Pseudomonas aeruginosa RhlR expressed in Escherichia coli DH5alpha incubated for 1.5 hrs by luminescence reporter gene assay
50010892	1	ChEMBL_1988632 (CHEMBL4622179)	Modulation of gamma secretase in human H4 cells over expressing human APP695 harboring K595N/M596L Swedish double mutant assessed as reduction in Abeta42 production after 24 hrs by Alphalisa assay
50010892	2	ChEMBL_1988642 (CHEMBL4622189)	Inhibition of human ERG
50010892	3	ChEMBL_1988644 (CHEMBL4622191)	Binding affinity to PIK4CB (unknown origin)
50010892	4	ChEMBL_1988647 (CHEMBL4622194)	Inhibition of human Notch1 expressed in HEK293 cells coexpressing luciferase reporter measured after 20 hrs by steady-glo chemiluminescence assay
50010893	1	ChEMBL_1988675 (CHEMBL4622222)	Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl)amino)-6-oxohexyl)-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium trifluoroacetate from biotinylated human TLR8 extracellular domain (27 to 827 residues) expressed in Drosophila S2 cells after 30 mins by europium-labeled streptavidin based TR-FRET assay
50010893	2	ChEMBL_1988680 (CHEMBL4622227)	Binding affinity to human TLR8 extracellular domain (27 to 827 residues) expressed in Drosophila S2 cells by fluorescence polarization assay
50010893	3	ChEMBL_1988676 (CHEMBL4622223)	Antagonist activity at TLR4 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS addition and measured after 20 hrs by HTRF assay
50010893	4	ChEMBL_1988677 (CHEMBL4622224)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ssRNA40 addition measured after 20 hrs by alphaLISA
50010893	5	ChEMBL_1988678 (CHEMBL4622225)	Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ssRNA40 addition measured after 20 hrs by HTRF assay
50010893	6	ChEMBL_1988679 (CHEMBL4622226)	Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-induced IFNalpha production preincubated for 30 mins followed by ODN2216 addition and measured after 20 hrs by alphaLISA
50010893	7	ChEMBL_1988687 (CHEMBL4622234)	Inhibition of CYP3A4 (unknown origin)
50010893	8	ChEMBL_1988689 (CHEMBL4622236)	Antagonist activity at TLR7 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ssRNA40 addition measured after 20 hrs by ELISA
50010893	9	ChEMBL_1988690 (CHEMBL4622237)	Antagonist activity at TLR8 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ssRNA40 addition measured after 20 hrs by HTRF assay
50010893	10	ChEMBL_1988691 (CHEMBL4622238)	Antagonist activity at TLR9 in human whole blood inhibition of DOTAP-ODN2216-induced IFNalpha production preincubated for 30 mins followed by DOTAP-ODN2216 addition and measured after 20 hrs by ELISA
50010893	11	ChEMBL_1988692 (CHEMBL4622239)	Antagonist activity at TLR7 in mouse whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ssRNA40 addition measured after 20 hrs by ELISA
50010893	12	ChEMBL_1988693 (CHEMBL4622240)	Antagonist activity at TLR9 in mouse whole blood inhibition of DOTAP-ODN2216-induced IFNalpha production preincubated for 30 mins followed by DOTAP-ODN2216 addition and measured after 20 hrs by ELISA
50010893	13	ChEMBL_1988714 (CHEMBL4622261)	Antagonist activity at TLR8 in human whole blood assessed as inhibition of R848-induced TNFalpha production preincubated for 30 mins followed by R848 addition and measured after 20 hrs by HTRF assay
50010893	14	ChEMBL_1988718 (CHEMBL4622265)	Antagonist activity at IL1R in human PBMC assessed as inhibition of IL1beta-induced TNFalpha production preincubated for 30 mins followed by IL1beta addition and measured after 20 hrs by HTRF assay
50010893	15	ChEMBL_1988717 (CHEMBL4622264)	Antagonist activity at TLR5 in human PBMC assessed as inhibition of flagellin-induced TNFalpha production preincubated for 30 mins followed by flagellin addition and measured after 20 hrs by HTRF assay
50010893	16	ChEMBL_1988716 (CHEMBL4622263)	Antagonist activity at TLR2 in human PBMC assessed as inhibition of Pam3CSK4-induced TNFalpha production preincubated for 30 mins followed by Pam3CSK4 addition and measured after 20 hrs by HTRF assay
50010893	17	ChEMBL_1988715 (CHEMBL4622262)	Antagonist activity at TLR1 in human PBMC assessed as inhibition of Pam3CSK4-induced TNFalpha production preincubated for 30 mins followed by Pam3CSK4 addition and measured after 20 hrs by HTRF assay
50010896	1	ChEMBL_1988731 (CHEMBL4622278)	Binding affinity to zebrafish VDR LBD assessed as Kd for fluorescein-labeled SRC1 NR2 peptide binding by micro-scale thermophoresis method
50010897	1	ChEMBL_1988736 (CHEMBL4622283)	Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fluorescence based assay
50010897	2	ChEMBL_1988735 (CHEMBL4622282)	Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate by fluorescence based assay
50010898	1	ChEMBL_1988746 (CHEMBL4622293)	Inhibition of MRS4174 binding to human P2Y14R expressed in CHO cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 30 mins at pH 7.4 by flow cytomtery based competitive fluorescence assay
50010898	2	ChEMBL_1988745 (CHEMBL4622292)	Inhibition of human P2Y14R
50010898	3	ChEMBL_1988758 (CHEMBL4622305)	Binding affinity to adrenergic alpha2A receptor (unknown origin)
50010898	4	ChEMBL_1988757 (CHEMBL4622304)	Binding affinity to sigma 1 receptor (unknown origin)
50010898	5	ChEMBL_1988755 (CHEMBL4622302)	Binding affinity to TSPO receptor (unknown origin)
50010898	6	ChEMBL_1988744 (CHEMBL4622291)	Binding affinity to 5HT1D receptor (unknown origin)
50010898	7	ChEMBL_1988754 (CHEMBL4622301)	Binding affinity to dopamine D5 receptor (unknown origin)
50010898	8	ChEMBL_1988752 (CHEMBL4622299)	Binding affinity to DOR (unknown origin)
50010898	9	ChEMBL_1988751 (CHEMBL4622298)	Binding affinity to DRD3 (unknown origin)
50010898	10	ChEMBL_1988747 (CHEMBL4622294)	Inhibition of MRS4174 binding to mouse P2Y14R expressed in HEK293 cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 30 mins by flow cytomtery based competitive fluorescence assay
50010898	11	ChEMBL_1988759 (CHEMBL4622306)	Binding affinity to adrenergic alpha2B receptor (unknown origin)
50010898	12	ChEMBL_1988760 (CHEMBL4622307)	Binding affinity to adrenergic alpha2C receptor (unknown origin)
50010898	13	ChEMBL_1988761 (CHEMBL4622308)	Agonist activity at CB1 receptor (unknown origin)
50010898	14	ChEMBL_1988762 (CHEMBL4622309)	Antagonist activity at CB1 receptor (unknown origin)
50010898	15	ChEMBL_1988763 (CHEMBL4622310)	Agonist activity at CB2 receptor (unknown origin)
50010898	16	ChEMBL_1988764 (CHEMBL4622311)	Antagonist activity at CB2 receptor (unknown origin)
50010898	17	ChEMBL_1988785 (CHEMBL4622332)	Inhibition of CYP1A2 (unknown origin)
50010898	18	ChEMBL_1988786 (CHEMBL4622333)	Inhibition of CYP2C9 (unknown origin)
50010898	19	ChEMBL_1988787 (CHEMBL4622334)	Inhibition of CYP2C19 (unknown origin)
50010898	20	ChEMBL_1988788 (CHEMBL4622335)	Inhibition of CYP2D6 (unknown origin)
50010898	21	ChEMBL_1988789 (CHEMBL4622336)	Inhibition of CYP3A4 (unknown origin)
50010898	22	ChEMBL_1988796 (CHEMBL4622343)	Inhibition of human ERG
50010898	23	ChEMBL_1988798 (CHEMBL4622345)	Inhibition of MRS4174 binding to human P2Y14R expressed in CHO cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 30 mins at pH 7 by flow cytomtery based competitive fluorescence assay
50010898	24	ChEMBL_1988799 (CHEMBL4622346)	Inhibition of MRS4174 binding to human P2Y14R expressed in CHO cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 30 mins at pH 6.5 by flow cytomtery based competitive fluorescence assay
50010898	25	ChEMBL_1988800 (CHEMBL4622347)	Inhibition of MRS4174 binding to human P2Y14R expressed in CHO cells pre-incubated for 30 mins before MRS4174 addition and further incubated for 30 mins at pH 6 by flow cytomtery based competitive fluorescence assay
50010902	1	ChEMBL_1988825 (CHEMBL4622372)	Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins by scintillation counting method
50010902	2	ChEMBL_1988826 (CHEMBL4622373)	Binding affinity to human H2R expressed in human HEK293T cells incubated for 90 mins by flowcytometry
50010902	3	ChEMBL_1988827 (CHEMBL4622374)	Binding affinity to human H2R expressed in human HEK293T cells incubated for 60 mins by automated cell imaging analysis
50010902	4	ChEMBL_1988828 (CHEMBL4622375)	Binding affinity to human H2R expressed in human HEK293T cells incubated for 60 mins by imaging flow cytometry analysis
50010902	5	ChEMBL_1988829 (CHEMBL4622376)	Antagonist activity at Gsalphas-coupled human H2R expressed in baculovirus infected Sf9 cells incubated for 60 mins in presence of histamine by GTPgammaS binding assay
50010902	6	ChEMBL_1988833 (CHEMBL4622380)	Displacement of [125I]-aminopotentidine from rat H2R expressed in human COS7 cells incubated for 90 mins gamma counting method
50010902	7	ChEMBL_1988835 (CHEMBL4622382)	Binding affinity to human H2R expressing Sf9 cells incubated for 60 mins by microbeta scintillation counter method
50010908	1	ChEMBL_1988859 (CHEMBL4622406)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan as substrate incubated for 48 hrs by fluorescence assay
50010908	2	ChEMBL_1988860 (CHEMBL4622407)	Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins prior to IFNgamma/LPS stimulation and further incubated for 18 hrs followed by isotope labeled L-tryptophan/kynurenine addition on day 2 by LC/MS-MS analysis
50010908	3	ChEMBL_1988861 (CHEMBL4622408)	Inhibition of TDO in human SW48 cells using L-tryptophan as substrate incubated for 48 hrs by fluorescent microplate reader assay
50010908	4	ChEMBL_1988875 (CHEMBL4622422)	Inhibition of CYP450 (unknown origin)
50010908	5	ChEMBL_1988876 (CHEMBL4622423)	Activation of PXR (unknown origin)
50010911	1	ChEMBL_1988878 (CHEMBL4622425)	Displacement of [3H](+)-pentazocine from recombinant sigma 1 receptor (unknown origin) expressed in baculovirus infected Sf9 cell membranes after 1.5 hrs by scintillation counting analysis
50010911	2	ChEMBL_1988879 (CHEMBL4622426)	Displacement of [3H](+)-DTG from recombinant sigma 2 receptor (unknown origin) expressed in baculovirus infected Sf9 cell membranes after 1.5 hrs by scintillation counting analysis
50010912	1	ChEMBL_1988884 (CHEMBL4622431)	Inhibition of recombinant human N-terminal GST/His6-tagged FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 cells using Tyr2 peptide as substrate incubated for 1.5 hrs by Z'-LYTE assay
50010912	2	ChEMBL_1988885 (CHEMBL4622432)	Binding affinity to recombinant human CSF1R (564 to 939 residues) expressed in bacterial expression system by Kinomescan method
50010912	3	ChEMBL_1988886 (CHEMBL4622433)	Binding affinity to recombinant human FLT3 (592 to 969 residues) expressed in bacterial expression system by Kinomescan method
50010912	4	ChEMBL_1988887 (CHEMBL4622434)	Binding affinity to recombinant human FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method
50010912	5	ChEMBL_1988888 (CHEMBL4622435)	Binding affinity to recombinant human FLT3 ITD/D835V double mutant expressed in bacterial expression system by Kinomescan method
50010912	6	ChEMBL_1988889 (CHEMBL4622436)	Binding affinity to recombinant human FLT3 ITD/F691L double mutant expressed in bacterial expression system by Kinomescan method
50010912	7	ChEMBL_1988890 (CHEMBL4622437)	Binding affinity to recombinant human KIT (571 to 972 residues) expressed in bacterial expression system by Kinomescan method
50010912	8	ChEMBL_1988891 (CHEMBL4622438)	Binding affinity to recombinant human PDGFRA (575 to 1002 residues) expressed in mammalian expression system by Kinomescan method
50010912	9	ChEMBL_1988892 (CHEMBL4622439)	Binding affinity to recombinant human PDGFRB (582 to 1009 residues) expressed in bacterial expression system by Kinomescan method
50010912	10	ChEMBL_1988893 (CHEMBL4622440)	Binding affinity to recombinant human RET (713 to 1014 residues) expressed in bacterial expression system by Kinomescan method
50010913	1	ChEMBL_1988947 (CHEMBL4622494)	Inhibition of recombinant human N-terminal GST-tagged ATAD2 bromodomain (981 to 1146 residues) expressed in Escherichia coli using biotinylated peptide SGRGK(Ac)GGKGLGKGGAKRHRKVLRDNGSGS as substrate incubated for 3 hrs by TR-FRET assay
50010913	2	ChEMBL_1988948 (CHEMBL4622495)	Binding affinity to recombinant human N-terminal GST-tagged ATAD2 bromodomain (981 to 1146 residues) expressed in Escherichia coli at 10 degree C by isothermal titration calorimetry
50010914	1	ChEMBL_1988951 (CHEMBL4622498)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FRET assay
50010914	2	ChEMBL_1988952 (CHEMBL4622499)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-FRET assay
50010914	3	ChEMBL_1988981 (CHEMBL4622528)	Inhibition of human ERG
50010914	4	ChEMBL_1988985 (CHEMBL4622532)	Binding affinity to BRD4 BD2 (unknown origin) by SPR assay
50010914	5	ChEMBL_1988986 (CHEMBL4622533)	Binding affinity to BRD4 BD1 (unknown origin) by SPR assay
50010916	1	ChEMBL_1989026 (CHEMBL4622573)	Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay
50010916	2	ChEMBL_1989029 (CHEMBL4622576)	Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 anti-human IgM stimulation and measured after 18 hrs by FACS analysis
50010916	3	ChEMBL_1989034 (CHEMBL4622581)	Inhibition of human ERG by automated patch clamp assay
50010916	4	ChEMBL_1989050 (CHEMBL4622597)	Inhibition of human liver microsome CYP450
50010917	1	ChEMBL_1989060 (CHEMBL4622607)	Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET assay
50010917	2	ChEMBL_1989061 (CHEMBL4622608)	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant measured for 60 to 300 sec by SPR analysis
50010918	1	ChEMBL_1989103 (CHEMBL4622650)	Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay
50010918	2	ChEMBL_1989083 (CHEMBL4622630)	Inhibition of recombinant AKR1C4 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level
50010918	3	ChEMBL_1989082 (CHEMBL4622629)	Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level
50010918	4	ChEMBL_1989081 (CHEMBL4622628)	Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level
50010918	5	ChEMBL_1989080 (CHEMBL4622627)	Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level
50010918	6	ChEMBL_1989079 (CHEMBL4622626)	Inhibition of CBR1 (unknown origin)
50010920	1	ChEMBL_1989150 (CHEMBL4622697)	Binding affinity to FKBP52 FK1 domain (1 to 148 residues) (unknown origin) by isothermal calorimetric analysis
50010920	2	ChEMBL_1989154 (CHEMBL4622701)	Binding affinity to FKBP52 FK1 domain (1 to 148 residues) (unknown origin) by Dansyl fluorescence based assay
50010920	3	ChEMBL_1989149 (CHEMBL4622696)	Binding affinity to FKBP52 FK1 domain (1 to 148 residues) (unknown origin) in PBS by fluorescence spectroscopy
50010922	1	ChEMBL_1989157 (CHEMBL4622704)	Inhibition of human PCSK9 by Alexa Fluor 647 staining based TR-FRET assay
50010923	1	ChEMBL_1989159 (CHEMBL4622706)	Inhibition of recombinant Avi-tagged PRMT5 (2 to 637)/ His-tagged MEP50 (2 to 342) (unknown origin) expressed in baculovirus infected Sf21 cells using biotinylated H4R3 (Me1) peptide as substrate in presence of SAM preincubated for 60 mins followed by substrate addition after 150 mins by biochemical methylation assay
50010923	2	ChEMBL_1989160 (CHEMBL4622707)	Inhibition of PRMT5 in human MCF7 cells assessed as reduction in symmetrically dimethylated nuclear protein level incubated for 3 days by Alexafluor-488 conjugate anti-rabbit antibody/DAPI staining based IN cell analyzer method
50010925	1	ChEMBL_1989162 (CHEMBL4622709)	Inhibition of ROCK2 (unknown origin) assessed as phosphorylation of MYPT1 using Tetramethylbenzidine as substrate in presence of ATP
50010926	1	ChEMBL_1989190 (CHEMBL4622737)	Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method
50010927	1	ChEMBL_1989220 (CHEMBL4622767)	Invivo antagonist activity at TLR9 in po dosed C57BL/6 mouse assessed as reduction of CpG-ODN-1585-induced IL-6 production pretreated for 30 mins followed by CpG-ODN-1585-stimulation and measured after 120 mins by ELISA
50010927	2	ChEMBL_1989219 (CHEMBL4622766)	Invivo antagonist activity at TLR7 in po dosed C57BL/6 mouse assessed as reduction of gardiquimod-induced IL-6 production pretreated for 30 mins followed by gardiquimod-stimulation and measured after 120 mins by ELISA
50010927	3	ChEMBL_1989209 (CHEMBL4622756)	Antagonist activity at TLR7 in mouse whole blood cells assessed as inhibition of gardiquimod induced IL-6 production by ELISA
50010927	4	ChEMBL_1989208 (CHEMBL4622755)	Antagonist activity at TLR9 in mouse whole blood cells assessed as inhibition of ODN-2216 induced IL-6 production by ELISA
50010927	5	ChEMBL_1989193 (CHEMBL4622740)	Antagonist activity at TLR7 in human whole blood cells assessed as inhibition of gardiquimod induced IL-6 production by ELISA
50010927	6	ChEMBL_1989207 (CHEMBL4622754)	Antagonist activity at TLR8 in human whole blood cells assessed as inhibition of IL-6 production by ELISA
50010927	7	ChEMBL_1989206 (CHEMBL4622753)	Antagonist activity at TLR9 in human whole blood cells assessed as inhibition of ODN-2216 induced IL-6 production by ELISA
50010927	8	ChEMBL_1989205 (CHEMBL4622752)	Antagonist activity at TLR7 in human pDC assessed as inhibition of inactivated flu-virus induced IFN-alpha production incubated for 24 hrs measured by ELISA
50010927	9	ChEMBL_1989204 (CHEMBL4622751)	Antagonist activity at TLR9 in human pDC assessed as inhibition of ODN2216-induced IFN-alpha production incubated for 24 hrs measured by ELISA
50010927	10	ChEMBL_1989203 (CHEMBL4622750)	Antagonist activity at TLR7 (unknown origin) in PBMC cells assessed as reduction of IL-6 production
50010927	11	ChEMBL_1989202 (CHEMBL4622749)	Antagonist activity at TLR9 (unknown origin) in PBMC cells assessed as reduction of IL-6 production
50010927	12	ChEMBL_1989201 (CHEMBL4622748)	Agonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as NFkappaB expression by reporter gene assay
50010927	13	ChEMBL_1989200 (CHEMBL4622747)	Agonist activity at human TLR8 overexpressed in HEK293 cells assessed as NFkappaB expression by reporter gene assay
50010927	14	ChEMBL_1989199 (CHEMBL4622746)	Agonist activity at human TLR7 overexpressed in HEK293 cells assessed as NFkappaB expression by reporter gene assay
50010927	15	ChEMBL_1989198 (CHEMBL4622745)	Antagonist activity at human TLR8 overexpressed in HEK-Blue cells assessed as inhibition of R848-induced NFkappaB and AP-1 activation preincubated for 30 mins followed by R848 stimulation measured after 22 hrs by quanti-blue SEAP assay
50010927	16	ChEMBL_1989197 (CHEMBL4622744)	Antagonist activity at human TLR4 overexpressed in HEK-Blue cells assessed as inhibition of LPD-RK induced NFkappaB and AP-1 activation preincubated for 30 mins followed by LPD-RK stimulation measured after 22 hrs by quanti-blue SEAP assay
50010927	17	ChEMBL_1989196 (CHEMBL4622743)	Antagonist activity at human TLR3 overexpressed in HEK-Blue cells assessed as inhibition of Poly IC-induced NFkappaB and AP-1 activation preincubated for 30 mins followed by Poly IC stimulation measured after 22 hrs by quanti-blue SEAP assay
50010927	18	ChEMBL_1989195 (CHEMBL4622742)	Antagonist activity at human TLR9 overexpressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NFkappaB and AP-1 activation preincubated for 30 mins followed by ODN2006 stimulation measured after 22 hrs by quanti-blue SEAP assay
50010927	19	ChEMBL_1989194 (CHEMBL4622741)	Antagonist activity at human TLR7 overexpressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB and AP-1 activation preincubated for 30 mins followed by gardiquimod stimulation measured after 22 hrs by quanti-blue SEAP assay
50010928	1	ChEMBL_1989269 (CHEMBL4623004)	Inhibition of full length human GST-tagged RSK2 using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay
50010928	2	ChEMBL_1989275 (CHEMBL4623010)	Inhibition of RSK1 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay
50010928	3	ChEMBL_1989274 (CHEMBL4623009)	Inhibition of RSK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay
50010928	4	ChEMBL_1989268 (CHEMBL4623003)	Inhibition of RSK3 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay
50010928	5	ChEMBL_1989267 (CHEMBL4623002)	Inhibition of RSK4 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay
50010928	6	ChEMBL_1989266 (CHEMBL4623001)	Inhibition of RSK1 (unknown origin)
50010928	7	ChEMBL_1989264 (CHEMBL4622999)	Inhibition of RSK2 (unknown origin)
50010928	8	ChEMBL_1989265 (CHEMBL4623000)	Inhibition of RSK3 (unknown origin)
50010928	9	ChEMBL_1989263 (CHEMBL4622998)	Binding affinity to BRD4 bromodomain 1 (unknown origin) by ITC assay
50010930	1	ChEMBL_1989290 (CHEMBL4623025)	Inhibition of PTP1B (unknown origin) using p-NPP as substrate after 0.5 hrs
50010930	2	ChEMBL_1989282 (CHEMBL4623017)	Inhibition of PTP1B (unknown origin) by fluorometric assay
50010930	3	ChEMBL_1989283 (CHEMBL4623018)	Inhibition of PTP1B (unknown origin)
50010930	4	ChEMBL_1989286 (CHEMBL4623021)	Agonist activity at PPARgamma (unknown origin)
50010930	5	ChEMBL_1989315 (CHEMBL4623050)	Modulation of GPR40 (unknown origin)
50010930	6	ChEMBL_1989320 (CHEMBL4623055)	Inhibition of human SGLT1
50010930	7	ChEMBL_1989318 (CHEMBL4623053)	Agonist activity at GPR40 (unknown origin)
50010930	8	ChEMBL_1989317 (CHEMBL4623052)	Modulation of GPR120 (unknown origin)
50010930	9	ChEMBL_1989316 (CHEMBL4623051)	Agonist activity at GPR120 (unknown origin)
50010930	10	ChEMBL_1989314 (CHEMBL4623049)	Inhibition of human SGLT2
50010930	11	ChEMBL_1989313 (CHEMBL4623048)	Agonist activity at human GPR119
50010930	12	ChEMBL_1989281 (CHEMBL4623016)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition by florescence assay
50010930	13	ChEMBL_1989306 (CHEMBL4623041)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition
50010930	14	ChEMBL_1989307 (CHEMBL4623042)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate after 30 mins
50010930	15	ChEMBL_1989309 (CHEMBL4623044)	Inhibition of DPP4 (unknown origin)
50010931	1	ChEMBL_1989326 (CHEMBL4623061)	Inhibition of Aurora kinase A (unknown origin) incubated for 30 mins by Kinase Glo luminescent assay
50010931	2	ChEMBL_1989325 (CHEMBL4623060)	Inhibition of Aurora kinase B (unknown origin) incubated for 30 mins by Kinase Glo luminescent assay
50010931	3	ChEMBL_1989338 (CHEMBL4623073)	Inhibition of recombinant Aurora A (unknown origin) by radioactive flashplate assay
50010931	4	ChEMBL_1989337 (CHEMBL4623072)	Inhibition of recombinant human Aurora A using peptide substrate in presence of ATP at its Km concentration by Z-lyte kinase assay
50010931	5	ChEMBL_1989336 (CHEMBL4623071)	Inhibition of Aurora B in human B-NHL cells assessed as inhibition of histone H3 phosphorylation on Ser10 by immunoblotting analysis
50010931	6	ChEMBL_1989321 (CHEMBL4623056)	Inhibition of Aurora B in human SW620 cells assessed as reduction in histone H3 phosphorylation on Ser10 by Alexafluor-488 goat anti-rabbit antibody/Hoechst staining based array scan method
50010931	7	ChEMBL_1989322 (CHEMBL4623057)	Inhibition of recombinant human N-terminal His6-tagged Aurora A expressed in baculovirus expression system by enzyme coupled assay
50010931	8	ChEMBL_1989342 (CHEMBL4623077)	Inhibition of recombinant human N-terminal His6-tagged Aurora B expressed in baculovirus expression system by enzyme coupled assay
50010931	9	ChEMBL_1989341 (CHEMBL4623076)	Inhibition of Aurora A (unknown origin) by biochemical kinase assay
50010931	10	ChEMBL_1989340 (CHEMBL4623075)	Inhibition of Aurora B (unknown origin) by biochemical kinase assay
50010932	1	ChEMBL_1989356 (CHEMBL4623091)	Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis
50010934	1	ChEMBL_1989362 (CHEMBL4623097)	Inhibition of Escherichia coli DNA gyrase assessed as supercoiling activity by fluorescence assay relative to control
50010939	1	ChEMBL_1989374 (CHEMBL4623109)	Binding affinity to human ESD expressed in HEK293T cells assessed as dissociation rate constant
50010939	2	ChEMBL_1989375 (CHEMBL4623110)	Binding affinity to human ESD expressed in HEK293T cells assessed as dissociation constant
50010940	1	ChEMBL_1989414 (CHEMBL4623149)	Inhibition of recombinant human Glyoxalase-1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate measured for 2 mins by spectrophotometric method
50010941	1	ChEMBL_1989424 (CHEMBL4623159)	Inhibition of N-terminal GST fused human VEGFR2 cytoplasmic domain (790 to 1356 (end) residues) expressed in baculovirus expression system using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	2	ChEMBL_1989425 (CHEMBL4623160)	Inhibition of N-terminal GST-fused human PDGFRbeta cytoplasmic domain (557 to 1106 (end) residues) expressed in baculovirus expression system using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	3	ChEMBL_1989426 (CHEMBL4623161)	Inhibition of GST-tagged human recombinant VEGFR1 cytoplasmic domain (781 to 1338 residues) expressed in baculovirus expression system using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	4	ChEMBL_1989429 (CHEMBL4623164)	Inhibition of N-terminal GST fused human recombinant FGFR1 cytoplasmic domain (398 to 822 (end) residues) expressed in baculovirus expression system using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	5	ChEMBL_1989430 (CHEMBL4623165)	Inhibition of SRC (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	6	ChEMBL_1989431 (CHEMBL4623166)	Inhibition of LYN (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	7	ChEMBL_1989432 (CHEMBL4623167)	Inhibition of c-Kit (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	8	ChEMBL_1989433 (CHEMBL4623168)	Inhibition of CDK2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	9	ChEMBL_1989434 (CHEMBL4623169)	Inhibition of CDK4 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	10	ChEMBL_1989435 (CHEMBL4623170)	Inhibition of CHK (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010941	11	ChEMBL_1989436 (CHEMBL4623171)	Inhibition of B-Raf (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by mobility shift assay
50010942	1	ChEMBL_1989490 (CHEMBL4623225)	Inhibition of gamma-secretase in human SK-N-BE cells assessed as decrease in amyloid beta 42 production treated for 6 hrs by ELISA
50010942	2	ChEMBL_1989504 (CHEMBL4623239)	Inhibition of human recombinant CYP1A2 assessed as reduction in metabolite formation using CEC as substrate incubated for 20 mins by fluorescence assay
50010942	3	ChEMBL_1989505 (CHEMBL4623240)	Inhibition of human recombinant CYP2C9 assessed as reduction in metabolite formation using MFC as substrate incubated for 30 mins by fluorescence assay
50010942	4	ChEMBL_1989506 (CHEMBL4623241)	Inhibition of human recombinant CYP2C19 assessed as reduction in metabolite formation using CEC as substrate incubated for 20 mins by fluorescence assay
50010942	5	ChEMBL_1989507 (CHEMBL4623242)	Inhibition of human recombinant CYP2D6 assessed as reduction in metabolite formation using AMMC as substrate incubated for 20 mins by fluorescence assay
50010943	1	ChEMBL_1989556 (CHEMBL4623291)	Inhibition of ROCK2 (unknown origin)
50010943	2	ChEMBL_1989557 (CHEMBL4623292)	Inhibition of ROCK1 (unknown origin)
50010943	3	ChEMBL_1989554 (CHEMBL4623289)	Inhibition of recombinant His-tagged full length human HSP90 (9 to 236 residues) expressed in Escherichia coli BL21(DE3) cells after 18 hrs by fluorescence polarization displacement assay
50010943	4	ChEMBL_1989558 (CHEMBL4623293)	Inhibition of GST/His-tagged human KEAP1 (321 to 609 residues) interaction with phosphorylated p62 expressed in Escherichia coli cells by fluorescence polarization assay
50010943	5	ChEMBL_1989559 (CHEMBL4623294)	Inhibition of mTOR in HEK293 cells
50010943	6	ChEMBL_1989560 (CHEMBL4623295)	Inhibition of mTOR (unknown origin)
50010943	7	ChEMBL_1989561 (CHEMBL4623296)	Induction of UGT1A1 (unknown origin) assessed as increase in intracellular acidic autophagy vesicles formation
50010943	8	ChEMBL_1989562 (CHEMBL4623297)	Inhibition of human DNA polymerase-alpha (unknown origin)
50010943	9	ChEMBL_1989565 (CHEMBL4623300)	Inhibition of Vps34 (unknown origin)
50010943	10	ChEMBL_1989566 (CHEMBL4623301)	Inhibition of Vps34 (unknown origin) interaction with PIK3 assessed as reduction in autophagy by increasing LC3 level
50010943	11	ChEMBL_1989567 (CHEMBL4623302)	Inhibition of Vps34 in human MCF7-LC3 cells assessed as rapamycin-induced autophagy
50010943	12	ChEMBL_1989568 (CHEMBL4623303)	Inhibition of Vps34 in human MCF7-LC3 cells assessed as starvation-induced autophagy
50010943	13	ChEMBL_1989569 (CHEMBL4623304)	Inhibition of Vps34 in human MCF7-LC3 cells
50010943	14	ChEMBL_1989570 (CHEMBL4623305)	Inhibition of S6K1 (unknown origin)
50010943	15	ChEMBL_1989573 (CHEMBL4623308)	Inhibition of CYP450 (unknown origin)
50010945	1	ChEMBL_1989581 (CHEMBL4623316)	Inhibition of human Cav3.3 expressed in tsA-201 cells by patch clamp electrophysiology
50010945	2	ChEMBL_1989580 (CHEMBL4623315)	Inhibition of human Cav3.2 expressed in tsA-201 cells by patch clamp electrophysiology
50010945	3	ChEMBL_1989579 (CHEMBL4623314)	Inhibition of human Cav3.1 expressed in tsA-201 cells by patch clamp electrophysiology
50010946	1	ChEMBL_1989582 (CHEMBL4623317)	Inhibition of recombinant full-length human aPKCzeta using CREBtide as substrate incubated for 3 hrs in presence of ATP by Kinase Glo luminescent assay
50010946	2	ChEMBL_1989583 (CHEMBL4623318)	Inhibition of recombinant full-length human aPKCzeta using ERMRPRKRQGSVRRRV as substrate in presence of ATP by ADP Quest kit assay
50010946	3	ChEMBL_1989584 (CHEMBL4623319)	Inhibition of recombinant full-length human aPKCzeta expressed in Sf21 insect cells using 5FAM-ERMRPRKRQGSVRRRV-NH2 as substrate in presence of ATP after 60 mins by IMAP fluorescence polarization analysis
50010946	4	ChEMBL_1989586 (CHEMBL4623321)	Inhibition of recombinant full-length human aPKCiota using CREBtide as substrate incubated for 3 hrs in presence of ATP by kinase Glo luminescent assay
50010946	5	ChEMBL_1989587 (CHEMBL4623322)	Inhibition of recombinant full-length human aPKCzeta in presence of ATP at Km concentration by radiometric assay
50010946	6	ChEMBL_1989588 (CHEMBL4623323)	Inhibition of recombinant full-length human aPKCiota in presence of ATP at Km concentration by radiometric assay
50010948	1	ChEMBL_1989626 (CHEMBL4623361)	Inhibition of HDAC1 (unknown origin)
50010948	2	ChEMBL_1989627 (CHEMBL4623362)	Inhibition of HDAC2 (unknown origin)
50010948	3	ChEMBL_1989628 (CHEMBL4623363)	Inhibition of HDAC3 (unknown origin)
50010948	4	ChEMBL_1989629 (CHEMBL4623364)	Inhibition of HDAC6 (unknown origin)
50010948	5	ChEMBL_1989630 (CHEMBL4623365)	Inhibition of HDAC8 (unknown origin)
50010949	1	ChEMBL_1989649 (CHEMBL4623384)	Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assay
50010949	2	ChEMBL_1989650 (CHEMBL4623385)	Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assay
50010949	3	ChEMBL_1989659 (CHEMBL4623394)	Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production
50010949	4	ChEMBL_1989660 (CHEMBL4623395)	Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production
50010949	5	ChEMBL_1989663 (CHEMBL4623398)	Binding affinity to recombinant human RORbeta transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assay
50010949	6	ChEMBL_1989695 (CHEMBL4623430)	Binding affinity to RORbeta (unknown origin) assessed as dissociation constant by thermal shift binding assay
50010949	7	ChEMBL_1989661 (CHEMBL4623396)	Inhibition of CYP2C9 (unknown origin)
50010949	8	ChEMBL_1989669 (CHEMBL4623404)	Inhibition of CYP2C8 (unknown origin)
50010949	9	ChEMBL_1989662 (CHEMBL4623397)	Inhibition of CYP2C19 (unknown origin)
50010951	1	ChEMBL_1989724 (CHEMBL4623459)	Inhibition of cathepsin B (unknown origin) using Z-FR-AMC as substrate by spectrofluorometric analysis
50010951	2	ChEMBL_1989725 (CHEMBL4623460)	Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate by spectrofluorometric analysis
50010951	3	ChEMBL_1989726 (CHEMBL4623461)	Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis
50010951	4	ChEMBL_1989729 (CHEMBL4623464)	Inhibition of Leishmania mexicana rCPB2.8 assessed as inhibition constant using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk double reciprocal plot analysis
50010953	1	ChEMBL_1989735 (CHEMBL4623470)	Inhibition of factor 11a (unknown origin)
50010953	2	ChEMBL_1989736 (CHEMBL4623471)	Inhibition of thrombin (unknown origin)
50010953	3	ChEMBL_1989738 (CHEMBL4623473)	Inhibition of factor 10a (unknown origin)
50010953	4	ChEMBL_1989739 (CHEMBL4623474)	Inhibition of factor 12a (unknown origin)
50010953	5	ChEMBL_1989740 (CHEMBL4623475)	Inhibition of factor 7a (unknown origin)
50010953	6	ChEMBL_1989741 (CHEMBL4623476)	Inhibition of factor 9a (unknown origin)
50010953	7	ChEMBL_1989742 (CHEMBL4623477)	Inhibition of trypsin (unknown origin)
50010954	1	ChEMBL_1989762 (CHEMBL4623497)	Inhibition of human BRAF V600E mutant by ELISA
50010954	2	ChEMBL_1989763 (CHEMBL4623498)	Inhibition of BRAF (unknown origin)
50010955	1	ChEMBL_1989774 (CHEMBL4623509)	Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane
50010955	2	ChEMBL_1989775 (CHEMBL4623510)	Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane
50010955	3	ChEMBL_1989777 (CHEMBL4623512)	Agonist activity at human CB1 receptor expressed in CHO cell membrane assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scintillation counting assay
50010955	4	ChEMBL_1989780 (CHEMBL4623515)	Agonist activity at human CB2 receptor expressed in CHO cell membrane assessed as inhibition of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scintillation counting assay
50010955	5	ChEMBL_1989794 (CHEMBL4623529)	Activation of human TRPV1 expressed in HEK293 cells assessed as calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence assay
50010955	6	ChEMBL_1989787 (CHEMBL4623522)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced increase of calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence assay
50010955	7	ChEMBL_1989773 (CHEMBL4623508)	Antagonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as AITC-induced increase of calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence assay
50010955	8	ChEMBL_1989793 (CHEMBL4623528)	Activation of rat recombinant TRPA1 expressed in HEK293 cells assessed as calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence assay
50010956	1	ChEMBL_1989796 (CHEMBL4623531)	Inhibition of TDP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using 5'-FAM-AGGATCTAAAAGACTT-BHQ-3' as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50010957	1	ChEMBL_1989827 (CHEMBL4623562)	Inhibition of human BACE1 using HiLyte Fluo488/QXL-520 peptide substrate by fluorescence assay
50010959	1	ChEMBL_1989847 (CHEMBL4623582)	Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of tryptophan residues by fluorescence spectrophotometric method
50010959	2	ChEMBL_1989848 (CHEMBL4623583)	Displacement of pyrene-labeled 7-methylguanosine-pentaphosphate probe from murine eIF4E assessed as decrease in fluorescence intensity incubated for 15 mins by fluorescence assay
50010959	3	ChEMBL_1989849 (CHEMBL4623584)	Inhibition of eIF4E in rabbit reticulocyte lysate system assessed as reduction in ARCA mRNA cap-dependent translation measured after 60 mins by luciferase reporter gene based luminescence assay
50010959	4	ChEMBL_1989853 (CHEMBL4623588)	Inhibition of human DcpS using pyrene labeled 7-methylguanosine triphosphate as substrate preincubated for 15 mins followed by enzyme addition by fluorescence assay
50010960	1	ChEMBL_1989858 (CHEMBL4623593)	Inhibition of human DDR1
50010961	1	ChEMBL_1989861 (CHEMBL4623596)	Inhibition of c-Met (unknown origin) by ADP-Glo kinase assay
50010962	1	ChEMBL_1989916 (CHEMBL4623651)	Inhibition of human Aurora A using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay
50010962	2	ChEMBL_1989917 (CHEMBL4623652)	Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay
50010962	3	ChEMBL_1989958 (CHEMBL4623693)	Inhibition of AURKA (unknown origin)
50010962	4	ChEMBL_1989959 (CHEMBL4623694)	Inhibition of AURKB (unknown origin)
50010963	1	ChEMBL_1989960 (CHEMBL4623695)	Inhibition of equine BChE using butyrylthiocholine as substrate measured after 15 sec by Ellman's method
50010963	2	ChEMBL_1989961 (CHEMBL4623696)	Inhibition of electric eel AChE using acetylthiocholine as substrate measured after 15 sec by Ellman's method
50010964	1	ChEMBL_1990083 (CHEMBL4623818)	Inhibition of human NaV1.1/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method
50010964	2	ChEMBL_1990084 (CHEMBL4623819)	Inhibition of human NaV1.5/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method
50010964	3	ChEMBL_1990085 (CHEMBL4623820)	Inhibition of human NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method
50010964	4	ChEMBL_1990086 (CHEMBL4623821)	Inhibition of mouse NaV1.7/beta1/beta2 expressed in HEK293A cells by Ionworks high-throughput electrophysiology method
50010964	5	ChEMBL_1990087 (CHEMBL4623822)	Inhibition of human ERG by Ionworks high-throughput electrophysiology method
50010964	6	ChEMBL_1990110 (CHEMBL4623845)	Inhibition of human Nav1.1 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	7	ChEMBL_1990111 (CHEMBL4623846)	Inhibition of human Nav1.2 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	8	ChEMBL_1990112 (CHEMBL4623847)	Inhibition of human Nav1.3 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	9	ChEMBL_1990113 (CHEMBL4623848)	Inhibition of human Nav1.4/beta1/beta2 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	10	ChEMBL_1990114 (CHEMBL4623849)	Inhibition of human Nav1.5 expressed in CHO cells with -140 mV holding potential by whole cell manual patch clamp method
50010964	11	ChEMBL_1990115 (CHEMBL4623850)	Inhibition of human Nav1.6 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	12	ChEMBL_1990116 (CHEMBL4623851)	Inhibition of human Nav1.7 expressed in CHO cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	13	ChEMBL_1990117 (CHEMBL4623852)	Inhibition of human Nav1.8 expressed in ND7/23 cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	14	ChEMBL_1990118 (CHEMBL4623853)	Inhibition of mouse Nav1.1/beta1/beta2 expressed in HEK293A cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	15	ChEMBL_1990119 (CHEMBL4623854)	Inhibition of mouse Nav1.5/beta1/beta2 expressed in HEK293A cells with -140 mV holding potential by whole cell manual patch clamp method
50010964	16	ChEMBL_1990120 (CHEMBL4623855)	Inhibition of mouse Nav1.7/beta1/beta2 expressed in HEK293A cells with -120 mV holding potential by whole cell manual patch clamp method
50010964	17	ChEMBL_1990121 (CHEMBL4623856)	Inhibition of human ERG expressed in HEK293 cells with -80 mV holding potential by whole cell manual patch clamp method
50010964	18	ChEMBL_1990140 (CHEMBL4623875)	Inhibition of CYP2C9 (unknown origin)
50010964	19	ChEMBL_1990141 (CHEMBL4623876)	Inhibition of CYP3A4 (unknown origin)
50010965	1	ChEMBL_1990293 (CHEMBL4624028)	Antagonist activity at human recombinant OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 30 mins followed by orexin-A stimulation by Fluo4-AM dye based fluorescence analysis
50010965	2	ChEMBL_1990294 (CHEMBL4624029)	Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincubated for 30 mins followed by orexin-A stimulation by Fluo-4AM dye based fluorescence analysis
50010966	1	ChEMBL_1990435 (CHEMBL4624170)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins by Ellman's method
50010967	1	ChEMBL_1990473 (CHEMBL4624208)	Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50010967	2	ChEMBL_1990474 (CHEMBL4624209)	Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by Cell-Titer Blue assay
50010967	3	ChEMBL_1990484 (CHEMBL4624219)	Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs by Cell-Titer Blue assay
50010967	4	ChEMBL_1990485 (CHEMBL4624220)	Inhibition of DHFR in human KB cells expressing RFC/FRalpha/PCFT assessed as reduction in cell growth after 96 hrs in presence of folic acid by Cell-Titer Blue assay
50010969	1	ChEMBL_1990500 (CHEMBL4624235)	Inhibition of myeloperoxidase (unknown origin)
50010969	2	ChEMBL_1990501 (CHEMBL4624236)	Inhibition of human plasma myeloperoxidase
50010969	3	ChEMBL_1990504 (CHEMBL4624239)	Inhibition of thyroid peroxidase (unknown origin)
50010969	4	ChEMBL_1990506 (CHEMBL4624241)	Inhibition of human ERG
50010973	1	ChEMBL_1990536 (CHEMBL4624271)	Inhibition of ovine COX-1 using arachidonic acid as substrate by enzyme chemiluminescent method
50010973	2	ChEMBL_1990537 (CHEMBL4624272)	Inhibition of ovine COX-2 using arachidonic acid as substrate by enzyme chemiluminescent method
50010974	1	ChEMBL_1990542 (CHEMBL4624277)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 10 mins followed by substrate addition by fluorimetric analysis
50010975	1	ChEMBL_1990603 (CHEMBL4624338)	Inhibition of NF-kappaB p65 in human HeLa cells nuclear extract by chemiluminescent assay
50010979	1	ChEMBL_1990611 (CHEMBL4624346)	Activation of human glucokinase
50010979	2	ChEMBL_1990613 (CHEMBL4624348)	Inhibition of human ERG
50010981	1	ChEMBL_1990659 (CHEMBL4624394)	Inhibition of activated factor IX (unknown origin) using CH3SO2-D-CHG-Gly-Arg-pNA:AcOH as substrate by fluorescence based assay
50010981	2	ChEMBL_1990660 (CHEMBL4624395)	Inhibition of activated factor X (unknown origin) using CH3O-CO-D-CHG-Gly-Arg-pNA-AcOH as substrate by fluorescence based assay
50010981	3	ChEMBL_1990662 (CHEMBL4624397)	Inhibition of recombinant human activated factor VII using H-D-Lle-Pro-Arg-pNA as substrate by fluorescence based assay
50010981	4	ChEMBL_1990663 (CHEMBL4624398)	Inhibition of human activated factor XI using pyroGlu-Pro-Arg-pNA as substrate by fluorescence based assay
50010981	5	ChEMBL_1990664 (CHEMBL4624399)	Inhibition of CYP3A4 (unknown origin)
50010981	6	ChEMBL_1990665 (CHEMBL4624400)	Inhibition of CYP2D6 (unknown origin)
50010981	7	ChEMBL_1990666 (CHEMBL4624401)	Inhibition of CYP2C9 (unknown origin)
50010983	1	ChEMBL_1990679 (CHEMBL4624414)	Inhibition of HSP90 ATPase activity (unknown origin) malachite-green phosphate assay
50010984	1	ChEMBL_1990744 (CHEMBL4624479)	Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay
50010984	2	ChEMBL_1990745 (CHEMBL4624480)	Inhibition of human GlyT1 expressed in human HEK cells assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay
50010984	3	ChEMBL_1990748 (CHEMBL4624483)	Inhibition of human ERG expressed in CHO cells by electrophysiology QPatch assay
50010984	4	ChEMBL_1990763 (CHEMBL4624498)	Inhibition of 5-HT2B (unknown origin)
50010985	1	ChEMBL_1990780 (CHEMBL4624515)	Inhibition of JAK1 (unknown origin) in presence of ATP at Km concentration by caliper assay
50010985	2	ChEMBL_1990781 (CHEMBL4624516)	Inhibition of JAK2 (unknown origin) in presence of ATP at Km concentration by caliper assay
50010985	3	ChEMBL_1990782 (CHEMBL4624517)	Inhibition of JAK3 (unknown origin) in presence of ATP at Km concentration by caliper assay
50010986	1	ChEMBL_1990831 (CHEMBL4624566)	Reversible inhibition of wild type human MAGL using 4-methylumbelliferyl butyrate as substrate measured after 5 mins by fluorescence assay
50010986	2	ChEMBL_1990852 (CHEMBL4624587)	Inhibition of FAAH (unknown origin)
50010986	3	ChEMBL_1990853 (CHEMBL4624588)	Binding affinity to CB1 receptor (unknown origin)
50010986	4	ChEMBL_1990854 (CHEMBL4624589)	Binding affinity to CB2 receptor (unknown origin)
50010987	1	ChEMBL_1990916 (CHEMBL4624651)	Inhibition of human DNA topoisomerase 2 catalytic activity using supercoiled pRYG DNA as substrate measured after 45 mins in presence of ATP by agarose gel electrophoresis
50010988	1	ChEMBL_1990934 (CHEMBL4624669)	Inhibition of PDE9A (unknown origin)
50010989	1	ChEMBL_1990946 (CHEMBL4624681)	Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate measured upto 60 mins by fluorescence based assay
50010989	2	ChEMBL_1990947 (CHEMBL4624682)	Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assay
50010989	3	ChEMBL_1990948 (CHEMBL4624683)	Inhibition of recombinant N-terminal FLAG-tagged FAP (unknown origin) (38 to 760 residues) expressed in HEK293 cells using AMCC as substrate by fluorescence based assay
50010989	4	ChEMBL_1990949 (CHEMBL4624684)	Inhibition of FAP (unknown origin)
50010994	1	ChEMBL_1991081 (CHEMBL4624816)	Agonist activity at GAL4-DBD fused human PPARdelta (147 to 441 residues) expressed in HEK293T cells by luciferase reporter gene assay
50010994	2	ChEMBL_1991082 (CHEMBL4624817)	Agonist activity at N-terminal His-tagged human PPARdelta-LBD expressed in Escherichia coli BL21 (DE3) cells
50010994	3	ChEMBL_1991083 (CHEMBL4624818)	Agonist activity at human PPARdelta after 24 hrs by luciferase reporter gene assay
50010994	4	ChEMBL_1991084 (CHEMBL4624819)	Agonist activity at PPARdelta (unknown origin)
50010994	5	ChEMBL_1991085 (CHEMBL4624820)	Transactivation of N-terminal His-tagged human PPARdelta-LBD expressed in Escherichia coli BL21 (DE3) cells
50010994	6	ChEMBL_1991080 (CHEMBL4624815)	Agonist activity at human PPARdelta
50010995	1	ChEMBL_1991113 (CHEMBL4624848)	Agonist activity at GPR40 (unknown origin)
50011000	1	ChEMBL_1991162 (CHEMBL4624897)	Displacement of [3H]-nisoxetine from human NET stably expressed in HEK cell membranes incubated for 90 mins under dark condition by scintillation counting analysis
50011001	1	ChEMBL_1991208 (CHEMBL4624943)	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response measured after 5 mins by two electrode voltage-clamp assay
50011001	2	ChEMBL_1991209 (CHEMBL4624944)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response measured after 5 mins by two electrode voltage-clamp assay
50011002	1	ChEMBL_1991214 (CHEMBL4624949)	Agonist activity at GST-fused FXR-LBD (unknown origin) incubated with Fluorecein-SRC2-2 coactivator peptide as substrate by TR-FRET assay
50011002	2	ChEMBL_1991215 (CHEMBL4624950)	Agonist activity at human FXR expressed in human HuH7 cells by luciferase reporter gene assay
50011002	3	ChEMBL_1991216 (CHEMBL4624951)	Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assay
50011003	1	ChEMBL_1991256 (CHEMBL4624991)	Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay
50011003	2	ChEMBL_1991259 (CHEMBL4624994)	Binding affinity to SIRT6 (unknown origin) by surface plasmon resonance assay
50011003	3	ChEMBL_1991260 (CHEMBL4624995)	Binding affinity to SIRT6 (unknown origin) by isothermal titration calorimetry
50011003	4	ChEMBL_1991265 (CHEMBL4625000)	Inhibition of SIRT1 (unknown origin)
50011003	5	ChEMBL_1991266 (CHEMBL4625001)	Inhibition of SIRT2 (unknown origin)
50011003	6	ChEMBL_1991267 (CHEMBL4625002)	Inhibition of SIRT3 (unknown origin)
50011003	7	ChEMBL_1991268 (CHEMBL4625003)	Inhibition of HDAC1 (unknown origin)
50011003	8	ChEMBL_1991269 (CHEMBL4625004)	Inhibition of HDAC2 (unknown origin)
50011003	9	ChEMBL_1991270 (CHEMBL4625005)	Inhibition of HDAC3 (unknown origin)
50011003	10	ChEMBL_1991271 (CHEMBL4625006)	Inhibition of HDAC4 (unknown origin)
50011003	11	ChEMBL_1991272 (CHEMBL4625007)	Inhibition of HDAC5 (unknown origin)
50011003	12	ChEMBL_1991273 (CHEMBL4625008)	Inhibition of HDAC6 (unknown origin)
50011003	13	ChEMBL_1991274 (CHEMBL4625009)	Inhibition of HDAC7 (unknown origin)
50011003	14	ChEMBL_1991275 (CHEMBL4625010)	Inhibition of HDAC8 (unknown origin)
50011003	15	ChEMBL_1991276 (CHEMBL4625011)	Inhibition of HDAC9 (unknown origin)
50011003	16	ChEMBL_1991277 (CHEMBL4625012)	Inhibition of HDAC10 (unknown origin)
50011003	17	ChEMBL_1991278 (CHEMBL4625013)	Inhibition of HDAC11 (unknown origin)
50011003	18	ChEMBL_1991282 (CHEMBL4625017)	Inhibition of His-tagged human SIRT6 expressed in Escherichia coli BL21(DE3) using Ac-p53 as substrate by fluorescence-based coupled-enzyme assay
50011006	1	ChEMBL_1991283 (CHEMBL4625018)	Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis
50011006	2	ChEMBL_1991285 (CHEMBL4625020)	Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis
50011006	3	ChEMBL_1991287 (CHEMBL4625022)	Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in presence of GTP by radioligand binding assay
50011006	4	ChEMBL_1991290 (CHEMBL4625025)	Displacement of [3H]PD116948 from Long-Evans rat whole brain membrane A1AR incubated for 60 mins by liquid scintillation counting analysis
50011006	5	ChEMBL_1991291 (CHEMBL4625026)	Displacement of [3H]NECA from rat striatal A2A adenosine receptor
50011006	6	ChEMBL_1991292 (CHEMBL4625027)	Antagonist activity at human A1 adenosine receptor
50011006	7	ChEMBL_1991293 (CHEMBL4625028)	Antagonist activity at rat A2A adenosine receptor
50011007	1	ChEMBL_1991314 (CHEMBL4625049)	Inhibition of wild type EGFR (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	2	ChEMBL_1991315 (CHEMBL4625050)	Inhibition of HER2 (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	3	ChEMBL_1991316 (CHEMBL4625051)	Inhibition of HER4 (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	4	ChEMBL_1991318 (CHEMBL4625053)	Inhibition of EGFR L858R mutant (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	5	ChEMBL_1991319 (CHEMBL4625054)	Inhibition of EGFR L858R/T790M mutant (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	6	ChEMBL_1991320 (CHEMBL4625055)	Inhibition of EGFR ex19del mutant (unknown origin) in presence of radiolabelled gammaATP by radioisotope filter binding assay
50011007	7	ChEMBL_1991321 (CHEMBL4625056)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system by competitive binding assay
50011007	8	ChEMBL_1991322 (CHEMBL4625057)	Inhibition of recombinant human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus expression system by competitive binding assay
50011007	9	ChEMBL_1991323 (CHEMBL4625058)	Inhibition of recombinant human N-terminal His-tagged HER2 (676 to 1255 residues) expressed in baculovirus expression system by competitive binding assay
50011007	10	ChEMBL_1991324 (CHEMBL4625059)	Inhibition of recombinant human N-terminal GST-tagged HER4 (676 to 1308 residues) expressed in baculovirus expression system by competitive binding assay
50011007	11	ChEMBL_1991326 (CHEMBL4625061)	Inhibition of recombinant human partial length EGFR L858R mutant (669 to 1011 residues) expressed in bacterial expression system by competitive binding assay
50011007	12	ChEMBL_1991328 (CHEMBL4625063)	Inhibition of recombinant human wild type partial length HER3 (684 to 987 residues) expressed in mammalian expression system by competitive binding assay
50011007	13	ChEMBL_1991329 (CHEMBL4625064)	Inhibition of recombinant human wild type partial length HER4 (690 to 994 residues) expressed in bacterial expression system by competitive binding assay
50011008	1	ChEMBL_1991429 (CHEMBL4625164)	Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence polarization assay
50011008	2	ChEMBL_1991430 (CHEMBL4625165)	Agonist activity at LRH1 (unknown origin) by luciferase reporter gene assay
50011009	1	ChEMBL_1991438 (CHEMBL4625173)	Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for 30 mins followed by enzyme addition
50011009	2	ChEMBL_1991439 (CHEMBL4625174)	Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (22 AT bp) as substrate preincubated for 30 mins followed by enzyme addition
50011009	3	ChEMBL_1991440 (CHEMBL4625175)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (17 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.9 +/- 0.1 uM)
50011009	4	ChEMBL_1991441 (CHEMBL4625176)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (17 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.9 +/- 0.1 uM)
50011009	5	ChEMBL_1991442 (CHEMBL4625177)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (17 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.9 +/- 0.1 uM)
50011009	6	ChEMBL_1991443 (CHEMBL4625178)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (22 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.4 +/- 0.1 uM)
50011009	7	ChEMBL_1991444 (CHEMBL4625179)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (22 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.4 +/- 0.1 uM)
50011009	8	ChEMBL_1991445 (CHEMBL4625180)	Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (22 AT bp) as substrate preincubated for 30 mins followed by enzyme addition by fluorescence polarization assay (Rvb = 0.4 +/- 0.1 uM)
50011009	9	ChEMBL_1991446 (CHEMBL4625181)	Inhibition of human C-terminal DNMT3A (623 to 908 residues) using 5'-biotin labeled oligonucleotide as substrate measured after 1 hr
50011009	10	ChEMBL_1991447 (CHEMBL4625182)	Binding affinity to DNMT3A catalytic domain (unknown origin) assessed as inhibition of enzyme-mediated DNA methylation preincubated for 1 hr followed by enzyme addition measured after 1 hr in presence of AdoMet by PAGE analysis
50011013	1	ChEMBL_1991494 (CHEMBL4625229)	Inhibition of recombinant Hi6-tagged deltaFOSB (unknown origin) expressed in insect cells interaction with TAMRA labeled 5'-GTCGGTGACTCAAAACA-3' AP1 oligonucleotide measured after 15 mins by fluorescence polarization assay
50011013	2	ChEMBL_1991495 (CHEMBL4625230)	Inhibition of recombinant Hi6-tagged deltaFOSB (unknown origin)/His6-tagged JUND (unknown origin) expressed in insect cells interaction with TAMRA labeled 5'-GTCGGTGACTCAAAACA-3' AP1 oligonucleotide measured after 15 mins by fluorescence polarization assay
50011014	1	ChEMBL_1991500 (CHEMBL4625235)	Antagonist activity at dopamine D1 receptor (unknown origin)
50011014	2	ChEMBL_1991501 (CHEMBL4625236)	Antagonist activity at dopamine D5 receptor (unknown origin)
50011014	3	ChEMBL_1991502 (CHEMBL4625237)	Agonist activity at dopamine D1 receptor (unknown origin)
50011014	4	ChEMBL_1991504 (CHEMBL4625239)	Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin)
50011014	5	ChEMBL_1991507 (CHEMBL4625242)	Displacement of [3H]SCH23390 from dopamine D5 receptor (unknown origin)
50011014	6	ChEMBL_1991505 (CHEMBL4625240)	Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin)
50011014	7	ChEMBL_1991509 (CHEMBL4625244)	Antagonist activity at human dopamine D1 receptor expressed in CHO-K1 cells by cAMP Hunter assay
50011014	8	ChEMBL_1991503 (CHEMBL4625238)	Agonist activity at dopamine D5 receptor (unknown origin)
50011016	1	ChEMBL_1991520 (CHEMBL4625255)	Inhibition of wild type EGFR (unknown origin) by ELISA
50011016	2	ChEMBL_1991521 (CHEMBL4625256)	Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA
50011016	3	ChEMBL_1991522 (CHEMBL4625257)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA
50011016	4	ChEMBL_1991523 (CHEMBL4625258)	Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISA
50011017	1	ChEMBL_1991569 (CHEMBL4625304)	Inhibition of PD1 (unknown origin)/PDL1 (unknown origin) protein-protein interaction by HTRF assay
50011018	1	ChEMBL_1991595 (CHEMBL4625330)	Inhibition of PLK1 (unknown origin)
50011018	2	ChEMBL_1991594 (CHEMBL4625329)	Inhibition of recombinant human N-terminal GST-tagged PLK1 (1 to 603 residues) expressed in baculovirus expression system using casein as substrate incubated for 45 mins by radiometric assay
50011019	1	ChEMBL_1991628 (CHEMBL4625363)	Inhibition of ALK5 (unknown origin)
50011019	3	ChEMBL_1991646 (CHEMBL4625381)	Inhibition of human ERG
50011024	1	ChEMBL_1991664 (CHEMBL4625399)	Competitive inhibition of LMW-PTP isoform A (unknown origin)
50011025	1	ChEMBL_1991666 (CHEMBL4625401)	Inhibition of LYP (unknown origin) using pNPP as substrate
50011025	2	ChEMBL_1991667 (CHEMBL4625402)	Inhibition of PTP-PEST (unknown origin)
50011025	3	ChEMBL_1991668 (CHEMBL4625403)	Inhibition of human PTP1B
50011025	4	ChEMBL_1991669 (CHEMBL4625404)	Inhibition of Mycobacterium tuberculosis PtpA
50011025	5	ChEMBL_1991670 (CHEMBL4625405)	Inhibition of Mycobacterium tuberculosis PtpB
50011025	6	ChEMBL_1991671 (CHEMBL4625406)	Competitive inhibition of LYP (unknown origin) assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	7	ChEMBL_1991672 (CHEMBL4625407)	Competitive inhibition of PTP-PEST (unknown origin) assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	8	ChEMBL_1991673 (CHEMBL4625408)	Non-competitive inhibition of human PTP1B assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	9	ChEMBL_1991674 (CHEMBL4625409)	Non-competitive inhibition of Mycobacterium tuberculosis PtpA assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	10	ChEMBL_1991675 (CHEMBL4625410)	Competitive inhibition of Mycobacterium tuberculosis PtpB assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	11	ChEMBL_1991676 (CHEMBL4625411)	Inhibition of Yersinia enterocolitica YopH
50011025	12	ChEMBL_1991677 (CHEMBL4625412)	Non-competitive inhibition of Yersinia enterocolitica YopH assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis
50011025	13	ChEMBL_1991689 (CHEMBL4625424)	Inhibition of recombinant Yersinia enterocolitica YopH assessed as reduction in conversion of pNPP to nitrophenol and inorganic phosphate using pNPP as substrate by microplate reader assay
50011025	14	ChEMBL_1991691 (CHEMBL4625426)	Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant
50011025	15	ChEMBL_1991692 (CHEMBL4625427)	Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant for enzyme-substrate complex
50011026	1	ChEMBL_1991783 (CHEMBL4625518)	Antagonist activity at recombinant human 5-HT2C expressed in human U2OS cells by pathhunter beta-arrestin assay
50011026	2	ChEMBL_1991782 (CHEMBL4625517)	Antagonist activity at recombinant human 5-HT2A expressed in human U2OS cells by pathhunter beta-arrestin assay
50011026	3	ChEMBL_1991780 (CHEMBL4625515)	Partial agonist activity at recombinant human 5-HT1A expressed in CHO-K1 cells by pathhunter beta-arrestin assay
50011029	1	ChEMBL_1991786 (CHEMBL4625521)	Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable CHO cell membrane incubated for 90 mins by microbeta counting method
50011029	2	ChEMBL_1991787 (CHEMBL4625522)	Displacement of [3H]-Ketanserin from 5-HT2A receptor (unknown origin) incubated for 90 mins by microbeta counting method
50011029	3	ChEMBL_1991788 (CHEMBL4625523)	Displacement of [3H]-LSD from human 5-HT6 receptor expresssed in stable HEK cell membrane incubated for 90 mins by microbeta counting method
50011029	4	ChEMBL_1991789 (CHEMBL4625524)	Displacement of [3H]-LSD from human 5-HT7A receptor expresssed in stable HEK cell membrane incubated for 90 mins by microbeta counting method
50011029	5	ChEMBL_1991790 (CHEMBL4625525)	Displacement of [3H]-SCH23390 from human dopamine D1 receptor expressed in HEKT cells incubated for 90 mins by microbeta counting method
50011029	6	ChEMBL_1991791 (CHEMBL4625526)	Displacement of [3H]-N-Methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells incubated for 90 mins by microbeta counting method
50011029	7	ChEMBL_1991792 (CHEMBL4625527)	Displacement of [3H]-N-Methylspiperone from dopamine D3 receptor (unknown origin) incubated for 90 mins by microbeta counting method
50011029	8	ChEMBL_1991793 (CHEMBL4625528)	Displacement of [3H]-N-Methylspiperone from human dopamine D4 receptor expressed in stable HEK cells incubated for 90 mins by microbeta counting method
50011029	9	ChEMBL_1991795 (CHEMBL4625530)	Agonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 Hunter cell incubated for 30 to 60 mins by hit-hunter cAMP assay based chemiluminescence analysis
50011029	10	ChEMBL_1991796 (CHEMBL4625531)	Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 Hunter cell preincubated for 30 mins followed by incubation with agonist for 30 to 60 mins by hit-hunter cAMP assay based chemiluminescence analysis
50011029	11	ChEMBL_1991797 (CHEMBL4625532)	Displacement of [3H]-LSD from human 5-HT7 receptor expresssed in stable HEK cell membrane incubated for 90 mins by microbeta counting method
50011030	1	ChEMBL_1991805 (CHEMBL4625540)	Inhibition of Escherichia coli BL21(DE3) ileRS overexpressed in Escherichia coli Rosetta2(DE3) assessed as reduction in tRNA aminoacylation preincubated with enzyme and substrate for 10 mins prior to ATP addition using 14C-labeled isoleucine and tRNA as substrate by liquid scintillation counting method
50011031	1	ChEMBL_1991810 (CHEMBL4625545)	Inhibition of alpha-synuclein (unknown origin) aggregation incubated for 3 days by thioflavin T based fluorescence assay
50011032	1	ChEMBL_1991814 (CHEMBL4625549)	Inhibition of recombinant human cathepsin K using Z-Phe-Arg-MCA as fluorogenic substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by fluorimetric analysis
50011032	2	ChEMBL_1991815 (CHEMBL4625550)	Inhibition of cathepsin L (unknown origin) using fluorogenic Z-FR-MCA as substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric assay
50011032	3	ChEMBL_1991818 (CHEMBL4625553)	Binding affinity to recombinant human cathepsin K
50011033	1	ChEMBL_1991819 (CHEMBL4625554)	Inhibition of PRMT1 (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr
50011038	1	ChEMBL_1991843 (CHEMBL4625578)	Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombinant human N-terminal GST-tagged BRD4 bromodomain 1 expressed in Escherichia coli preincubated for 15 mins followed by APC-labeled biotinylated-avidin addition and measured after 1 hr under dark condition by TR-FRET assay
50011039	1	ChEMBL_1991863 (CHEMBL4625598)	Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor by fluorimetric analysis
50011040	1	ChEMBL_1991895 (CHEMBL4625630)	Inhibition of IRAK4 (unknown origin) using FL-IPTSPITTTYFFFKKK peptide and ATP as substrate incubated for 60 mins by fluorescence based caliper assay
50011040	2	ChEMBL_1991896 (CHEMBL4625631)	Inhibition of IRAK4 in human PBMC assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation and measured after 5 hrs by ELISA
50011040	3	ChEMBL_1991897 (CHEMBL4625632)	Inhibition of IRAK4 in human whole blood assessed as inhibition of LTA-induced IL-6 production preincubated for 30 mins followed by LTA-stimulation and measured after 5 hrs by ELISA
50011040	4	ChEMBL_1991901 (CHEMBL4625636)	Inhibition of IRAK4 in mouse whole blood
50011040	5	ChEMBL_1991906 (CHEMBL4625641)	Inhibition of human wild type partial length TNIK (D4-K311 residues) expressed in bacterial expression system
50011040	6	ChEMBL_1991907 (CHEMBL4625642)	Inhibition of recombinant N-terminal GST-tagged human cKit (544 to end residues) expressed in baculovirus infected Sf21 cells
50011040	7	ChEMBL_1991908 (CHEMBL4625643)	Inhibition of human wild type partial length TAK1 (1 to 303 residues) expressed in mammalian expression system
50011040	8	ChEMBL_1991909 (CHEMBL4625644)	Inhibition of N-terminal His6-tagged human full length recombinant LCK expressed in baculovirus infected Sf21 cells
50011040	9	ChEMBL_1991910 (CHEMBL4625645)	Inhibition of human wild type partial length TYRO3 (497 to 814 residues) expressed in bacterial expression system
50011040	10	ChEMBL_1991911 (CHEMBL4625646)	Inhibition of human wild type partial length IRAK3 (147 to 596 residues) expressed in bacterial expression system
50011040	11	ChEMBL_1991934 (CHEMBL4625669)	Inhibition of CYP3A4 (unknown origin)
50011040	12	ChEMBL_1991962 (CHEMBL4625697)	Inhibition of cKit (unknown origin) by functional based assay
50011041	1	ChEMBL_1991967 (CHEMBL4625702)	Inhibition of recombinant human DHFR using dihydrofolate as substrate in presence of NADPH
50011042	1	ChEMBL_1992031 (CHEMBL4625766)	Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Arg-AMC as substrate incubated for 2 hrs by fluorescence based assay
50011042	2	ChEMBL_1992033 (CHEMBL4625768)	Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assay
50011042	3	ChEMBL_1992032 (CHEMBL4625767)	Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assay
50011042	4	ChEMBL_1992034 (CHEMBL4625769)	Inhibition of ERAP1 (unknown origin) using Leu-AMC as substrate by fluorescence based assay
50011043	1	ChEMBL_1992066 (CHEMBL4625801)	Inhibition of full length human recombinant FLAG-tagged HDAC1 expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	2	ChEMBL_1992067 (CHEMBL4625802)	Inhibition of full length human recombinant FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	3	ChEMBL_1992068 (CHEMBL4625803)	Inhibition of full length human recombinant FLAG-tagged HDAC3/His6-tagged SMRT (1 to 899 residues) expressed in HEK293F cells using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	4	ChEMBL_1992069 (CHEMBL4625804)	Inhibition of HDAC6 (unknown origin) using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	5	ChEMBL_1992070 (CHEMBL4625805)	Inhibition of human recombinant HDAC8 expressed in Escherichia coli using FLUOR DE LYS as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	6	ChEMBL_1992071 (CHEMBL4625806)	Inhibition of class 1 HDAC in human Jurkat model of HIV latency assessed as reactivation of HIV latency incubated for 20 hrs in presence of 5% NHS by Steady-Glo luciferase assay
50011043	7	ChEMBL_1992081 (CHEMBL4625816)	Inhibition of HDAC4 (unknown origin)
50011043	8	ChEMBL_1992082 (CHEMBL4625817)	Inhibition of human recombinant full length N-terminal GST-tagged HDAC5 expressed in baculovirus infected sf9 insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011043	9	ChEMBL_1992085 (CHEMBL4625820)	Inhibition of HDAC7 (unknown origin)
50011043	10	ChEMBL_1992086 (CHEMBL4625821)	Inhibition of human recombinant untagged HDAC11 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50011044	1	ChEMBL_1992158 (CHEMBL4625893)	Binding affinity to recombinant human Smo receptor assessed as dissociation constant at equilibrium by SPR analysis
50011045	1	ChEMBL_1992189 (CHEMBL4625924)	Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition by FRET based assay
50011046	1	ChEMBL_1992196 (CHEMBL4625931)	Inhibition of His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA unwinding activity using 5'-biotin-labeled forked DNA as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by electrophoretic mobility shift assay
50011046	2	ChEMBL_1992198 (CHEMBL4625933)	Binding affinity to His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of protein interaction with 5'-biotin-labeled forked DNA measured after 1 hr by ELISA
50011046	3	ChEMBL_1992199 (CHEMBL4625934)	Binding affinity to wild-type His-tagged BLM (642 to 1296 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration assay
50011046	4	ChEMBL_1992200 (CHEMBL4625935)	Binding affinity to His-tagged BLM H996A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration assay
50011046	5	ChEMBL_1992202 (CHEMBL4625937)	Binding affinity to His-tagged BLM I1168A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal calorimetric titration assay
50011047	1	ChEMBL_1992235 (CHEMBL4625970)	Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50011047	2	ChEMBL_1992236 (CHEMBL4625971)	Binding affinity to 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50011047	3	ChEMBL_1992238 (CHEMBL4625973)	Binding affinity to 6His-Thr-BRD2 (1 to 473 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50011047	4	ChEMBL_1992240 (CHEMBL4625975)	Binding affinity to 6His-Thr-BRD3 (1 to 435 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50011047	5	ChEMBL_1992242 (CHEMBL4625977)	Binding affinity to 6His-FLAG-Tev-BRDT (1 to 397 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50011047	6	ChEMBL_1992267 (CHEMBL4626002)	Inhibition of CYP3A4 (unknown origin)
50011047	7	ChEMBL_1992269 (CHEMBL4626004)	Inhibition of CYP3A4 (unknown origin) by Cyprotex-protocol assay
50011047	8	ChEMBL_1992270 (CHEMBL4626005)	Inhibition of human ERG
50011047	9	ChEMBL_1992271 (CHEMBL4626006)	Inhibition of BSEP (unknown origin)
50011048	1	ChEMBL_1992276 (CHEMBL4626011)	Displacement of [His[125I]]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50011048	2	ChEMBL_1992277 (CHEMBL4626012)	Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF assay
50011048	3	ChEMBL_1992286 (CHEMBL4626021)	Inhibition of CYP3A4 (unknown origin)
50011048	4	ChEMBL_1992287 (CHEMBL4626022)	Inhibition of CYP2D6 (unknown origin)
50011048	5	ChEMBL_1992288 (CHEMBL4626023)	Inhibition of CYP2C9 (unknown origin)
50011048	6	ChEMBL_1992289 (CHEMBL4626024)	Inhibition of CYP2C19 (unknown origin)
50011048	7	ChEMBL_1992290 (CHEMBL4626025)	Inhibition of CYP1A2 (unknown origin)
50011048	8	ChEMBL_1992302 (CHEMBL4626037)	Displacement of [3H]U69593 from KOR (unknown origin) measured after 60 mins by scintillation counting method
50011048	9	ChEMBL_1992303 (CHEMBL4626038)	Agonist activity at rat KOR expressed in CHOK1 cells assessed as increase in cAMP accumulation measured after 10 mins by HTRF assay
50011048	10	ChEMBL_1992304 (CHEMBL4626039)	Antagonist activity at rat KOR expressed in CHOK1 cells assessed as inhibition of U50488-induced increase in cAMP accumulation measured after 10 mins by HTRF assay
50011048	11	ChEMBL_1992305 (CHEMBL4626040)	Displacement of [3H]DAMGO from recombinant human MOR measured after 120 mins by scintillation counting analysis
50011048	12	ChEMBL_1992306 (CHEMBL4626041)	Agonist activity at human MOR expressed in CHOK1 cells assessed as increase in cAMP accumulation measured after 10 mins by HTRF assay
50011048	13	ChEMBL_1992307 (CHEMBL4626042)	Antagonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of DAMGO-induced increase in cAMP accumulation measured after 10 mins by HTRF assay
50011050	1	ChEMBL_1992346 (CHEMBL4626081)	Allosteric activation of SIRT6 (unknown origin)
50011050	2	ChEMBL_1992345 (CHEMBL4626080)	Activation of SIRT6 (unknown origin)
50011050	3	ChEMBL_1992348 (CHEMBL4626083)	Activation of N-terminal his-tagged human SIRT6 expressed in Escherichia coli M15 [pREP4] assessed as increase in peptide demyristoylation incubated for 120 mins using Ac-EALPKK(Myr)-AMC substrate by FDL assay relative to control
50011050	4	ChEMBL_1992350 (CHEMBL4626085)	Activation of N-terminal his-tagged human SIRT6 expressed in Escherichia coli M15 [pREP4] assessed as increase in deacetylation activity incubated for 2 hrs using Ac-RYQK(Ac)-AMC substrate by FDL assay relative to control
50011050	5	ChEMBL_1992351 (CHEMBL4626086)	Activation of N-terminal his-tagged human SIRT6 expressed in Escherichia coli M15 [pREP4] assessed as increase in deacetylation activity incubated for 2 hrs using Ac-RYQK(Myr)-AMC substrate by FDL assay relative to control
50011050	6	ChEMBL_1992353 (CHEMBL4626088)	Binding affinity to N-terminal his-tagged human SIRT6 expressed in Escherichia coli M15 [pREP4] by ITC assay
50011050	7	ChEMBL_1992354 (CHEMBL4626089)	Binding affinity to N-terminal his-tagged human SIRT6 expressed in Escherichia coli M15 [pREP4] by SPR assay
50011050	8	ChEMBL_1992419 (CHEMBL4626154)	Inhibition of SIRT1 (unknown origin) by FDL assay
50011050	9	ChEMBL_1992420 (CHEMBL4626155)	Inhibition of SIRT2 (unknown origin) by FDL assay
50011050	10	ChEMBL_1992421 (CHEMBL4626156)	Inhibition of SIRT3 (unknown origin) by FDL assay
50011050	11	ChEMBL_1992422 (CHEMBL4626157)	Inhibition of SIRT5 (unknown origin) by FDL assay
50011050	12	ChEMBL_1992423 (CHEMBL4626158)	Inhibition of HDAC1 (unknown origin) by FDL assay
50011050	13	ChEMBL_1992424 (CHEMBL4626159)	Inhibition of HDAC2 (unknown origin) by FDL assay
50011050	14	ChEMBL_1992425 (CHEMBL4626160)	Inhibition of HDAC3 (unknown origin) by FDL assay
50011050	15	ChEMBL_1992426 (CHEMBL4626161)	Inhibition of HDAC4 (unknown origin) by FDL assay
50011050	16	ChEMBL_1992427 (CHEMBL4626162)	Inhibition of HDAC5 (unknown origin) by FDL assay
50011050	17	ChEMBL_1992428 (CHEMBL4626163)	Inhibition of HDAC6 (unknown origin) by FDL assay
50011050	18	ChEMBL_1992429 (CHEMBL4626164)	Inhibition of HDAC7 (unknown origin) by FDL assay
50011050	19	ChEMBL_1992430 (CHEMBL4626165)	Inhibition of HDAC8 (unknown origin) by FDL assay
50011050	20	ChEMBL_1992431 (CHEMBL4626166)	Inhibition of HDAC9 (unknown origin) by FDL assay
50011050	21	ChEMBL_1992432 (CHEMBL4626167)	Inhibition of HDAC10 (unknown origin) by FDL assay
50011050	22	ChEMBL_1992433 (CHEMBL4626168)	Inhibition of HDAC11 (unknown origin) by FDL assay
50011051	1	ChEMBL_1992434 (CHEMBL4626169)	Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	2	ChEMBL_1992439 (CHEMBL4626174)	Inhibition of ALK2 G328V mutant (unknown origin) by radiometric assay
50011051	3	ChEMBL_1992438 (CHEMBL4626173)	Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	4	ChEMBL_1992444 (CHEMBL4626179)	Inhibition of ALK2 R258G mutant (unknown origin) by radiometric hotspot assay
50011051	5	ChEMBL_1992445 (CHEMBL4626180)	Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	6	ChEMBL_1992446 (CHEMBL4626181)	Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50011051	7	ChEMBL_1992447 (CHEMBL4626182)	Inhibition of recombinant human ALK5 expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter after 24 hrs by dual luciferase reporter assay
50011051	8	ChEMBL_1992449 (CHEMBL4626184)	Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G328V mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50011051	9	ChEMBL_1992450 (CHEMBL4626185)	Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 G356D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50011051	10	ChEMBL_1992451 (CHEMBL4626186)	Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 Q207D mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50011051	11	ChEMBL_1992452 (CHEMBL4626187)	Competitive displacement of PBI-6908 from nanoluciferase-fused ALK2 R206H mutant (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET NanoGlo substrate based NanoBRET assay
50011051	12	ChEMBL_1992453 (CHEMBL4626188)	Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	13	ChEMBL_1992454 (CHEMBL4626189)	Inhibition of human ALK3 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	14	ChEMBL_1992437 (CHEMBL4626172)	Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	15	ChEMBL_1992456 (CHEMBL4626191)	Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50011051	16	ChEMBL_1992458 (CHEMBL4626193)	Inhibition of ABL1 (unknown origin)
50011051	17	ChEMBL_1992459 (CHEMBL4626194)	Inhibition of BRK (unknown origin)
50011051	18	ChEMBL_1992460 (CHEMBL4626195)	Inhibition of DDR1 (unknown origin)
50011051	19	ChEMBL_1992461 (CHEMBL4626196)	Inhibition of MINK (unknown origin)
50011051	20	ChEMBL_1992462 (CHEMBL4626197)	Inhibition of NLK (unknown origin)
50011051	21	ChEMBL_1992463 (CHEMBL4626198)	Inhibition of SIK2 (unknown origin)
50011051	22	ChEMBL_1992465 (CHEMBL4626200)	Inhibition of ZAK (unknown origin)
50011051	23	ChEMBL_1992471 (CHEMBL4626206)	Inhibition of recombinant human CB1 incubated for 60 mins by scintillation counting method
50011051	24	ChEMBL_1992472 (CHEMBL4626207)	Inhibition of recombinant human adrenergic alpha2A receptor incubated for 60 mins by scintillation counting method
50011051	25	ChEMBL_1992475 (CHEMBL4626210)	Inhibition of human ERG expressed in HEK293 cells after 5 mins by IonWorks barracuda patch clamp method
50011051	26	ChEMBL_1992476 (CHEMBL4626211)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	27	ChEMBL_1992477 (CHEMBL4626212)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	28	ChEMBL_1992478 (CHEMBL4626213)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	29	ChEMBL_1992479 (CHEMBL4626214)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	30	ChEMBL_1992480 (CHEMBL4626215)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	31	ChEMBL_1992481 (CHEMBL4626216)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 20 mins in presence of NADPH by LC/MS/MS analysis
50011051	32	ChEMBL_1992482 (CHEMBL4626217)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LC/MS/MS analysis
50011051	33	ChEMBL_1992483 (CHEMBL4626218)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50011051	34	ChEMBL_1992464 (CHEMBL4626199)	Inhibition of TNIK (unknown origin)
50011052	1	ChEMBL_1992557 (CHEMBL4626292)	Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	2	ChEMBL_1992559 (CHEMBL4626294)	Inhibition of SHP2 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	3	ChEMBL_1992558 (CHEMBL4626293)	Inhibition of PTP1B (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	4	ChEMBL_1992560 (CHEMBL4626295)	Inhibition of SHP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	5	ChEMBL_1992587 (CHEMBL4626322)	Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	6	ChEMBL_1992588 (CHEMBL4626323)	Inhibition of Mycobacterium tuberculosis PTPB I207A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	7	ChEMBL_1992589 (CHEMBL4626324)	Inhibition of Mycobacterium tuberculosis PTPB I207K mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	8	ChEMBL_1992590 (CHEMBL4626325)	Inhibition of Mycobacterium tuberculosis PTPB F161S mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	9	ChEMBL_1992561 (CHEMBL4626296)	Inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	10	ChEMBL_1992562 (CHEMBL4626297)	Inhibition of TCPTP (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	11	ChEMBL_1992563 (CHEMBL4626298)	Inhibition of LYP (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	12	ChEMBL_1992564 (CHEMBL4626299)	Inhibition of HePTP (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	13	ChEMBL_1992565 (CHEMBL4626300)	Inhibition of FAP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	14	ChEMBL_1992566 (CHEMBL4626301)	Inhibition of DEP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	15	ChEMBL_1992567 (CHEMBL4626302)	Inhibition of Laforin (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	16	ChEMBL_1992568 (CHEMBL4626303)	Inhibition of PTP-MEG2 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	17	ChEMBL_1992569 (CHEMBL4626304)	Inhibition of MKP3 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	18	ChEMBL_1992570 (CHEMBL4626305)	Inhibition of MKP5 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	19	ChEMBL_1992573 (CHEMBL4626308)	Inhibition of PTP-PEST (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	20	ChEMBL_1992574 (CHEMBL4626309)	Inhibition of CD45 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	21	ChEMBL_1992575 (CHEMBL4626310)	Inhibition of CDC14A (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	22	ChEMBL_1992576 (CHEMBL4626311)	Inhibition of STEP (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	23	ChEMBL_1992577 (CHEMBL4626312)	Inhibition of VHR (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	24	ChEMBL_1992578 (CHEMBL4626313)	Inhibition of PTPS (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	25	ChEMBL_1992579 (CHEMBL4626314)	Inhibition of PTPA (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	26	ChEMBL_1992580 (CHEMBL4626315)	Inhibition of PTPB (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	27	ChEMBL_1992581 (CHEMBL4626316)	Inhibition of PTPM (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	28	ChEMBL_1992582 (CHEMBL4626317)	Inhibition of PTPG (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	29	ChEMBL_1992583 (CHEMBL4626318)	Inhibition of PTPE (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method
50011052	30	ChEMBL_1992584 (CHEMBL4626319)	Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as substrate measured after 30 mins by Lineweaver-Burk plot analysis
50011053	1	ChEMBL_1992822 (CHEMBL4626557)	Inhibition of SCD in human NCI-H2122 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs in presence of oleate by cell titer Glo reagent based assay
50011053	2	ChEMBL_1992812 (CHEMBL4626547)	Inhibition of SCD in human NCI-H2122 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs in presence of CYP4F inhibitor HET0016 by cell titer Glo reagent based assay
50011053	3	ChEMBL_1992836 (CHEMBL4626571)	Inhibition of SCD in empty vector transfected human NCI-H1155 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	4	ChEMBL_1992837 (CHEMBL4626572)	Inhibition of SCD in CYP4F11 transfected human NCI-H1155 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	5	ChEMBL_1992835 (CHEMBL4626570)	Inhibition of SCD in human H1395 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	6	ChEMBL_1992834 (CHEMBL4626569)	Inhibition of SCD in human HCC366 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	7	ChEMBL_1992833 (CHEMBL4626568)	Inhibition of SCD in human HCC417 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	8	ChEMBL_1992832 (CHEMBL4626567)	Inhibition of SCD in human H1993 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	9	ChEMBL_1992831 (CHEMBL4626566)	Inhibition of SCD in human H2073 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	10	ChEMBL_1992830 (CHEMBL4626565)	Inhibition of SCD in human HCC44 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	11	ChEMBL_1992829 (CHEMBL4626564)	Inhibition of SCD in human H460 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	12	ChEMBL_1992828 (CHEMBL4626563)	Inhibition of SCD in human HCC95 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	13	ChEMBL_1992783 (CHEMBL4626518)	Inhibition of SCD in human NCI-H2122 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	14	ChEMBL_1992784 (CHEMBL4626519)	Inhibition of SCD in human H2009 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	15	ChEMBL_1992785 (CHEMBL4626520)	Inhibition of SCD in human H1819 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011053	16	ChEMBL_1992794 (CHEMBL4626529)	Inhibition of SCD in human liver microsomes expressing CYP4F11
50011053	17	ChEMBL_1992801 (CHEMBL4626536)	Inhibition of SCD in human NCI-H1155 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay
50011054	1	ChEMBL_1993118 (CHEMBL4626853)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed by menthol addition by Fluo-4 NW dye based fluorimetric method
50011054	2	ChEMBL_1993119 (CHEMBL4626854)	Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell voltage clamp method
50011054	3	ChEMBL_1993128 (CHEMBL4626863)	Antagonist activity at human Nav1.7 expressed in HEK293 cells assessed as inhibition of veratridine-induced increase in calcium flux by FLIPR dye based FLIPR TETRA method
50011055	1	ChEMBL_1993146 (CHEMBL4626881)	Inhibition of Electrophorus electricus AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate addition and measured after 2 mins
50011055	2	ChEMBL_1993147 (CHEMBL4626882)	Inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate addition and measured after 2 mins
50011055	3	ChEMBL_1993148 (CHEMBL4626883)	Inhibition of human BChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate addition and measured after 2 mins
50011055	4	ChEMBL_1993149 (CHEMBL4626884)	Noncompetitive inhibition of equine serum BChE pre-incubated for 5 mins before butyrylthiocholine iodide substrate addition and measured after 2 mins by Lineweaver-Burk plot analysis
50011058	1	ChEMBL_1993177 (CHEMBL4626912)	Inhibition of full-length C-terminal FLAG-tagged human PLAAT2 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition and measured after 20 mins by SDS-PAGE based ABPP analysis
50011058	2	ChEMBL_1993178 (CHEMBL4626913)	Inhibition of full-length C-terminal FLAG-tagged human PLAAT3 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition and measured after 20 mins by SDS-PAGE based ABPP analysis
50011058	3	ChEMBL_1993179 (CHEMBL4626914)	Inhibition of full-length C-terminal FLAG-tagged human PLAAT4 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition and measured after 20 mins by SDS-PAGE based ABPP analysis
50011058	4	ChEMBL_1993180 (CHEMBL4626915)	Inhibition of full-length C-terminal FLAG-tagged human PLAAT5 expressed in HEK293T cell lysate preincubated for 30 mins followed by MB064 addition and measured after 20 mins by SDS-PAGE based ABPP analysis
50011062	1	ChEMBL_1993247 (CHEMBL4626982)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD1 (1 to 473 residues)/BD2 Y386A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	2	ChEMBL_1993246 (CHEMBL4626981)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD1 (1 to 435 residues)/BD2 Y348A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	3	ChEMBL_1993241 (CHEMBL4626976)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	4	ChEMBL_1993245 (CHEMBL4626980)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	5	ChEMBL_1993244 (CHEMBL4626979)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD1 (1 to 397 residues)/BD2 Y309A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	6	ChEMBL_1993243 (CHEMBL4626978)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD2 BD2 (1 to 473 residues)/BD1 Y113A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	7	ChEMBL_1993242 (CHEMBL4626977)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRD3 BD2 (1 to 435 residues)/BD1 Y73A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	8	ChEMBL_1993257 (CHEMBL4626992)	Displacement of Alexa Fluor 647 labelled I-BET762 from N-terminal His6-tagged human BRDT BD2 (1 to 397 residues)/BD1 Y66A mutant expressed in Escherichia coli after 1 hr by TR-FRET assay
50011062	9	ChEMBL_1993262 (CHEMBL4626997)	Binding affinity to N-terminal His6-tagged human BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant expressed in Escherichia coli by surface plasmon resonance method
50011062	10	ChEMBL_1993234 (CHEMBL4626969)	Binding affinity to BRD4 BD2 (333 to 460 residues) (unknown origin) by surface plasmon resonance method
50011062	11	ChEMBL_1993235 (CHEMBL4626970)	Displacement of bromosporine-tracer from BRD4 (unknown origin) expressed in HEK293 cells by NanoBRET NanoGlo substrate based NanoBRET assay
50011062	12	ChEMBL_1993256 (CHEMBL4626991)	Binding affinity to BRD2 BD2 (unknown origin) by isothermal titration calorimetric method
50011062	13	ChEMBL_1993255 (CHEMBL4626990)	Binding affinity to BRD3 BD2 (unknown origin) by isothermal titration calorimetric method
50011062	14	ChEMBL_1993253 (CHEMBL4626988)	Binding affinity to BRD4 BD2 (unknown origin) by isothermal titration calorimetric method
50011062	15	ChEMBL_1993254 (CHEMBL4626989)	Binding affinity to BRD2 BD1 (unknown origin) by isothermal titration calorimetric method
50011062	16	ChEMBL_1993252 (CHEMBL4626987)	Binding affinity to BRD3 BD1 (unknown origin) by isothermal titration calorimetric method
50011062	17	ChEMBL_1993251 (CHEMBL4626986)	Binding affinity to BRD4 BD1 (unknown origin) by isothermal titration calorimetric method
50011062	18	ChEMBL_1993249 (CHEMBL4626984)	Binding affinity to BRD2 BD1 (unknown origin) by fluorescence anisotropy competition binding assay
50011062	19	ChEMBL_1993250 (CHEMBL4626985)	Binding affinity to BRD3 BD1 (unknown origin) by fluorescence anisotropy competition binding assay
50011062	20	ChEMBL_1993248 (CHEMBL4626983)	Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy competition binding assay
50011064	1	ChEMBL_1993270 (CHEMBL4627005)	Agonist activity at human mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay
50011064	2	ChEMBL_1993272 (CHEMBL4627007)	Positive modulator activity at human mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubated for 1 hr in presence of EC20 glutamate by Fluo-4 dye based fluorescence assay
50011064	3	ChEMBL_1993274 (CHEMBL4627009)	Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay
50011064	4	ChEMBL_1993275 (CHEMBL4627010)	Agonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay
50011064	5	ChEMBL_1993277 (CHEMBL4627012)	Positive modulator activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as increase in intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay 5HT2A_HUMAN/GRM2_HUMAN P28223/Q14416
50011064	6	ChEMBL_1993279 (CHEMBL4627014)	Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of glutamate-induced intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay 5HT2A_HUMAN/GRM2_HUMAN P28223/Q14416
50011064	7	ChEMBL_1993280 (CHEMBL4627015)	Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells co-expressing Gqo5 assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay 5HT2A_HUMAN/GRM2_HUMAN P28223/Q14416
50011064	8	ChEMBL_1993281 (CHEMBL4627016)	Antagonist activity at human 5HT2A/mGlu2 receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular Ca2+ mobilization incubated for 1 hr by Fluo-4 dye based fluorescence assay 5HT2A_HUMAN/GRM2_HUMAN P28223/Q14416
50011064	9	ChEMBL_1993282 (CHEMBL4627017)	Displacement of [3H]-ketanserin from human HT2A receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting method
50011064	10	ChEMBL_1993283 (CHEMBL4627018)	Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting method
50011064	11	ChEMBL_1993284 (CHEMBL4627019)	Displacement of [3H]-ketanserin from human 5HT2A/mGlu2 receptor expressed in HEK293 cell co-expressing Gqo5 membranes incubated for 2 hrs by scintillation counting method
50011066	1	ChEMBL_1993285 (CHEMBL4627020)	Inhibition of HCV NS5B RNA-dependent RNA polymerase activity assessed as reduction in radiolabeled ribonucleotide monophosphates incorporation into RNA using cIRES template measured after 2 hrs by microscintillation counting method
50011069	1	ChEMBL_1993331 (CHEMBL4627066)	Displacement of [3H]LTB4 from HA-epitope tagged human BLT2 expressed in CHOK1 cells incubated for 60 mins by liquid scintillation counting method
50011070	1	ChEMBL_1993347 (CHEMBL4627082)	Inhibition of HSP90 at C-terminus (unknown origin)
50011071	1	ChEMBL_1993412 (CHEMBL4627147)	Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA
50011071	2	ChEMBL_1993413 (CHEMBL4627148)	Inhibition of human GST-tagged tankyrase 2 autophosphorylation
50011072	1	ChEMBL_1993414 (CHEMBL4627149)	Inhibition of human neutrophil elastase using flurogenic substrate as elastase substrate V by fluorescence assay
50011072	2	ChEMBL_1993415 (CHEMBL4627150)	Inhibition of human proteinase 3 using flurogenic substrate as elastase substrate V by fluorescence assay
50011073	1	ChEMBL_1993484 (CHEMBL4627219)	Inhibition of Nav1.3 (unknown origin) expressed in HEK293 cells assessed as inhibition of sodium current incubated for 3 to 3.5 mins by electrophysiology assay
50011073	2	ChEMBL_1993483 (CHEMBL4627218)	Inhibition of human ERG
50011073	3	ChEMBL_1993475 (CHEMBL4627210)	Inhibition of CYP1A2 (unknown origin)
50011073	4	ChEMBL_1993491 (CHEMBL4627226)	Inhibition of CYP2A6 (unknown origin)
50011073	5	ChEMBL_1993492 (CHEMBL4627227)	Inhibition of CYP2B6 (unknown origin)
50011073	6	ChEMBL_1993493 (CHEMBL4627228)	Inhibition of CYP2C8 (unknown origin)
50011073	7	ChEMBL_1993494 (CHEMBL4627229)	Inhibition of CYP2C9 (unknown origin)
50011073	8	ChEMBL_1993485 (CHEMBL4627220)	Inhibition of CYP2C19 (unknown origin)
50011073	9	ChEMBL_1993495 (CHEMBL4627230)	Inhibition of CYP2D6 (unknown origin)
50011073	10	ChEMBL_1993496 (CHEMBL4627231)	Inhibition of CYP3A4 (unknown origin)
50011073	11	ChEMBL_1993502 (CHEMBL4627237)	Inhibition of MAO-A (unknown origin)
50011073	12	ChEMBL_1993503 (CHEMBL4627238)	Inhibition of MAO-B (unknown origin)
50011074	1	ChEMBL_1993525 (CHEMBL4627420)	Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method
50011074	2	ChEMBL_1993526 (CHEMBL4627421)	Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound and TO-PRO-3 for 15 mins prior to BzATP addition and measured after 1 hr by Fluo-3AM dye based flow cytometry
50011075	1	ChEMBL_1993610 (CHEMBL4627505)	Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method
50011075	2	ChEMBL_1993611 (CHEMBL4627506)	Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method
50011075	3	ChEMBL_1993613 (CHEMBL4627508)	Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay
50011075	4	ChEMBL_1993614 (CHEMBL4627509)	Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay
50011075	5	ChEMBL_1993615 (CHEMBL4627510)	Antagonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as inhibition of E2-induced transcriptional activity measured after 24 hrs by luciferase reporter gene assay based Schild plot analysis
50011076	1	ChEMBL_1993632 (CHEMBL4627527)	Inhibition of TDP-43 (unknown origin) binding to RNA
50011076	2	ChEMBL_1993633 (CHEMBL4627528)	Binding affinity to TDP-43 (unknown origin)
50011077	1	ChEMBL_1993669 (CHEMBL4627564)	Inhibition of HIV1 gp41- induced cell-cell fusion between viral envelope expressed in human HL2/3 cells to CD4/CCR5 receptor expressed TZM-bl cells after 6 hrs by luciferase assay
50011080	1	ChEMBL_1993688 (CHEMBL4627583)	Agonist activity at APJ receptor (unknown origin) assessed as induction of beta-arrestin 2 recruitment
50011080	2	ChEMBL_1993677 (CHEMBL4627572)	Agonist activity at human AGTR1 stably expressed in CHO cells assessed as increase in intracellular calcium mobilization measured at 1 sec intervals for 90 sec by calcium 5 dye based FLIPR assay
50011080	3	ChEMBL_1993674 (CHEMBL4627569)	Agonist activity at human APJ receptor stably expressed in CHOK1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter assay
50011080	4	ChEMBL_1993673 (CHEMBL4627568)	Agonist activity at human APJ receptor stably expressed in CHO cells co-expressing Galphaq16 assessed as increase in intracellular calcium mobilization measured at 1 sec intervals for 90 secs by calcium 5 dye based FLIPR assay
50011080	5	ChEMBL_1993671 (CHEMBL4627566)	Agonist activity at human APJ receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by Eu-cAMP tracer based TR-FRET assay
50011080	6	ChEMBL_1993689 (CHEMBL4627584)	Agonist activity at recombinant human Giaq-coupled APJ receptor stably expressed in HEK293 cells assessed as increase in intracellular calcium flux incubated for 10 mins and measured at 2 secs interval for 60 times by fluo-4 dye based fluorescence assay
50011080	7	ChEMBL_1993676 (CHEMBL4627571)	Displacement of [125I]-apelin-13 from human APJ receptor stably expressed in CHOK1 cell membrane measured after 2 hrs by topcount scintillation counting method
50011080	8	ChEMBL_1993679 (CHEMBL4627574)	Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay
50011080	9	ChEMBL_1993678 (CHEMBL4627573)	Binding affinity to EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay
50011080	10	ChEMBL_1993672 (CHEMBL4627567)	Displacement of [125I]-pE13F from human APJ receptor stably expressed in CHO cell membrane after 1 hr
50011080	11	ChEMBL_1993680 (CHEMBL4627575)	Displacement of [125I]-pE13F from rat EGFP-tagged APJ receptor stably expressed in CHO cell membrane measured after 1 hr
50011081	1	ChEMBL_1993697 (CHEMBL4627592)	Inhibition of HIV-1 integrase
50011082	1	ChEMBL_1993705 (CHEMBL4627600)	Inhibition of wild type EZH2 (unknown origin) in presence of 1 uM SAM by AlphaLISA assay
50011082	2	ChEMBL_1993704 (CHEMBL4627599)	Inhibition of wild type EZH2 (unknown origin) by AlphaLISA assay
50011083	1	ChEMBL_1993722 (CHEMBL4627617)	Inhibition of TYK2 (unknown origin)
50011083	2	ChEMBL_1993723 (CHEMBL4627618)	Inhibition of JAK1 (unknown origin)
50011083	3	ChEMBL_1993725 (CHEMBL4627620)	Inhibition of JAK2 (unknown origin)
50011083	4	ChEMBL_1993727 (CHEMBL4627622)	Inhibition of JAK3 (unknown origin)
50011083	5	ChEMBL_1993729 (CHEMBL4627624)	Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay
50011084	1	ChEMBL_1993751 (CHEMBL4627646)	Agonist activity at human GPR142 receptor expressed in HEK293 cells assessed as accumulation of inositol phosphate incubated for 1 hr followed by IP1-d2 addition by HTRF assay
50011085	1	ChEMBL_1993792 (CHEMBL4627687)	Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERalpha expressed in baculovirus infected insect cells incubated in dark for 2 hrs by Beacon single-tube fluorescent polarization assay
50011085	2	ChEMBL_1993793 (CHEMBL4627688)	Displacement of fluorescent estrogen ligand from recombinant human full length untagged ERbeta expressed in baculovirus infected insect cells incubated in dark for 2 hrs by Beacon single-tube fluorescent polarization assay
50011085	3	ChEMBL_1993798 (CHEMBL4627693)	Antagonist activity at ERbeta (unknown origin)
50011085	4	ChEMBL_1993797 (CHEMBL4627692)	Antagonist activity at ERalpha (unknown origin)
50011086	1	ChEMBL_1993808 (CHEMBL4627703)	Inhibition of STAT3 in human K562 cells assessed as reduction in STAT3 phosphorylation
50011088	1	ChEMBL_1993810 (CHEMBL4627705)	Inhibition of VEGFR2 in human MCF7 cells by horseradish peroxidase-coupled TMB substrate based ELISA
50011091	1	ChEMBL_1993820 (CHEMBL4627715)	Inhibition of JAK1 (unknown origin)
50011091	2	ChEMBL_1993821 (CHEMBL4627716)	Inhibition of JAK2 (unknown origin)
50011091	3	ChEMBL_1993822 (CHEMBL4627717)	Inhibition of JAK3 (unknown origin)
50011091	4	ChEMBL_1993818 (CHEMBL4627713)	Inhibition of JAK1/JAK3 in human PBMC cells assessed as reduction in IL2-induced IFNgamma production
50011093	1	ChEMBL_1993862 (CHEMBL4627757)	Displacement of [125I]MIP-1095 from PSMA in human PC3-PIP cells after 1 hr by gamma counter analysis
50011095	1	ChEMBL_1993876 (CHEMBL4627771)	Agonist activity at human TLR8 expressed in HEK293 cells assessed as induction of NFKappaB activity after 24 hrs by SEAP reporter gene assay
50011095	2	ChEMBL_1993875 (CHEMBL4627770)	Agonist activity at human TLR7 expressed in HEK293 cells assessed as induction of NFKappaB activity after 24 hrs by SEAP reporter gene assay
50011097	1	ChEMBL_1993913 (CHEMBL4627808)	Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) by reporter gene assay
50011097	2	ChEMBL_1993914 (CHEMBL4627809)	Inverse agonist activity at RORgammat in human CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by reduction in measuring IL-17A secretion
50011097	3	ChEMBL_1993915 (CHEMBL4627810)	Inverse agonist activity at wild type full-length human RORgammat co-transfected with ROR response element by luciferase based reporter gene assay
50011097	4	ChEMBL_1993916 (CHEMBL4627811)	Inverse agonist activity at full-length human RORgammat C320S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	5	ChEMBL_1993917 (CHEMBL4627812)	Inverse agonist activity at full-length human RORgammat C320A mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	6	ChEMBL_1993918 (CHEMBL4627813)	Inverse agonist activity at full-length human RORgammat C278S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	7	ChEMBL_1993919 (CHEMBL4627814)	Inverse agonist activity at full-length human RORgammat C285S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	8	ChEMBL_1993920 (CHEMBL4627815)	Inverse agonist activity at full-length human RORgammat C345S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	9	ChEMBL_1993921 (CHEMBL4627816)	Inverse agonist activity at full-length human RORgammat C366S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	10	ChEMBL_1993922 (CHEMBL4627817)	Inverse agonist activity at full-length human RORgammat C393S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	11	ChEMBL_1993923 (CHEMBL4627818)	Inverse agonist activity at full-length human RORgammat C455S mutant co-transfected with ROR response element by luciferase based reporter gene assay
50011097	12	ChEMBL_1993927 (CHEMBL4627822)	Inverse agonist activity at human full-length RORgammaT expressed in Jurkat cells co-transfected with 5 copies of ROR response element after 18 hrs by luciferase based reporter gene assay
50011097	13	ChEMBL_1993930 (CHEMBL4627825)	Inverse agonist activity at RORgammat in human CD4-positive T cells assessed as inhibition of T cell to Th17 differentiation by flow cytometry
50011098	1	ChEMBL_1993965 (CHEMBL4627860)	Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydration assay
50011098	2	ChEMBL_1993966 (CHEMBL4627861)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydration assay
50011098	3	ChEMBL_1993967 (CHEMBL4627862)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydration assay
50011098	4	ChEMBL_1993968 (CHEMBL4627863)	Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2 hydration assay
50011098	5	ChEMBL_1993972 (CHEMBL4627867)	Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) using 4-nitrophenyl acetate as substrate incubated for 10 mins prior to testing by spectrophotometric method
50011098	6	ChEMBL_1993973 (CHEMBL4627868)	Inhibition of recombinant human carbonic anhydrase 2 using p-nitrophenylacetate as substrate measured at 3 mins interval by spectrophotometric method
50011099	1	ChEMBL_1993974 (CHEMBL4627869)	Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured for 5 mins by Ellman's method
50011099	2	ChEMBL_1993975 (CHEMBL4627870)	Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured for 5 mins by Ellman's method
50011099	3	ChEMBL_1993976 (CHEMBL4627871)	Inhibition of human erythrocyte AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured for 5 mins by Ellman's method
50011099	4	ChEMBL_1993977 (CHEMBL4627872)	Inhibition of human plasma BChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured for 5 mins by Ellman's method
50011100	1	ChEMBL_1993994 (CHEMBL4627889)	Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method
50011100	2	ChEMBL_1993991 (CHEMBL4627886)	Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's method
50011100	3	ChEMBL_1993992 (CHEMBL4627887)	Inhibition of Electric eel AChE using acetylcholine iodide as substrate by spectrophotometry based Ellman's method
50011100	4	ChEMBL_1993993 (CHEMBL4627888)	Inhibition of AChE (unknown origin)
50011103	1	ChEMBL_1994003 (CHEMBL4627898)	Binding affinity to human partial length BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50011103	2	ChEMBL_1994005 (CHEMBL4627900)	Binding affinity to BRD4 (unknown origin)
50011103	3	ChEMBL_1994004 (CHEMBL4627899)	Inhibition of BRD4 (unknown origin)
50011105	1	ChEMBL_1994031 (CHEMBL4627926)	Inhibition of human SOAT1 mediated [14C]Cholesterol ester synthesis in CHO cells after 6 hrs in presence of [14C]Oleic acid by TLC analysis
50011105	2	ChEMBL_1994032 (CHEMBL4627927)	Inhibition of human SOAT2-mediated [14C]Cholesterol ester synthesis in CHO cells after 6 hrs in presence of [14C]Oleic acid by TLC analysis
50011105	3	ChEMBL_1994033 (CHEMBL4627928)	Inhibition of human SOAT1-mediated [14C]Cholesterol ester biosynthesis in CHO microsomal fraction after 5 mins in presence of [1-14C]oleoyl-CoA by TLC analysis
50011105	4	ChEMBL_1994034 (CHEMBL4627929)	Inhibition of human SOAT2-mediated [14C]Cholesterol ester biosynthesis in CHO microsomal fraction after 5 mins in presence of [1-14C]oleoyl-CoA by TLC analysis
50011106	1	ChEMBL_1994081 (CHEMBL4627976)	Inhibition of NS5B polymerase in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay
50011106	2	ChEMBL_1994082 (CHEMBL4627977)	Inhibition of NS5B polymerase in HCV genotype 1b Con1 infected in human HuH7 replicon cells assessed as inhibition of viral replication after 3 days by luciferase reporter gene assay
50011109	1	ChEMBL_1994107 (CHEMBL4628002)	Inhibition of CYP3A4 in human liver microsomes
50011109	2	ChEMBL_1994108 (CHEMBL4628003)	Inhibition of CYP2C9 in human liver microsomes
50011110	1	ChEMBL_1994122 (CHEMBL4628017)	Inhibition of FITC-LDEETGEFL-NH2 binding to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia Coli BL21(DE3)pLysS cells centrifuged for 2 mins followed by 30 mins incubation under shaking condition by fluorescence polarization assay
50011111	1	ChEMBL_1994130 (CHEMBL4628025)	Inhibition of recombinant human full-length N-terminal GST-tagged SRC (1 to 536 residues) expressed in baculovirus expression system using FAM-labelled P4 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay
50011111	2	ChEMBL_1994129 (CHEMBL4628024)	Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic domain (557 to 1106 residues) expressed in baculovirus expression system using FAM-labelled P22 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay
50011111	3	ChEMBL_1994128 (CHEMBL4628023)	Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay
50011111	4	ChEMBL_1994127 (CHEMBL4628022)	Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-labelled P22 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by fluorescence assay
50011112	1	ChEMBL_1994186 (CHEMBL4628081)	Inhibition of NLRP3 inflammasome (unknown origin) activation in LPS-primed bone marrow derived macrophage cells assessed as effect on IL-1beta production in presence of nigericin by ELISA
50011113	1	ChEMBL_1994209 (CHEMBL4628104)	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by fluorogenic assay
50011113	2	ChEMBL_1994210 (CHEMBL4628105)	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 preincubated for 30 mins followed by substrate addition and measured after 15 mins by fluorogenic assay
50011113	3	ChEMBL_1994211 (CHEMBL4628106)	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate class 2A preincubated for 30 mins followed by substrate addition and measured after 15 mins by fluorogenic assay
50011114	1	ChEMBL_1994247 (CHEMBL4628142)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1a by Taqman probe based RT-PCR analysis
50011114	2	ChEMBL_1994246 (CHEMBL4628141)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 1b by Taqman probe based RT-PCR analysis
50011114	3	ChEMBL_1994245 (CHEMBL4628140)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2a by Taqman probe based RT-PCR analysis
50011114	4	ChEMBL_1994244 (CHEMBL4628139)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 2b by Taqman probe based RT-PCR analysis
50011114	5	ChEMBL_1994248 (CHEMBL4628143)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 3a by Taqman probe based RT-PCR analysis
50011114	6	ChEMBL_1994249 (CHEMBL4628144)	Non-nucleoside inhibition of NS5B polymerase in HCV genotype 4a by Taqman probe based RT-PCR analysis
50011114	7	ChEMBL_1994250 (CHEMBL4628145)	Non-nucleoside inhibition of NS5B polymerase C316Y mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis
50011114	8	ChEMBL_1994251 (CHEMBL4628146)	Non-nucleoside inhibition of NS5B polymerase S365A mutant in HCV genotype 1a by Taqman probe based RT-PCR analysis
50011116	1	ChEMBL_1994275 (CHEMBL4628170)	Agonist activity at mouse TRPV4
50011116	2	ChEMBL_1994276 (CHEMBL4628171)	Antagonist activity at TRPV4 (unknown origin)
50011116	3	ChEMBL_1994277 (CHEMBL4628172)	Antagonist activity at human TRPV4
50011119	1	ChEMBL_1994278 (CHEMBL4628173)	Positive allosteric modulation of human TIR2/TIR3 expressed in PEAKrapid cells assessed as potentiation of sucrose-induced intracellular calcium influx by measuring sucrose EC50 at 30 uM measured for 120 secs by fluorescence based assay
50011121	1	ChEMBL_1994284 (CHEMBL4628179)	Inhibition of His6/GST-tagged human SIRT1 deacetylation activity using SIRT1 acetyl-lysine as substrate in presence of beta-NAD+ after 10 mins by reversed-phase HPLC analysis
50011121	2	ChEMBL_1994285 (CHEMBL4628180)	Inhibition of His6-tagged human SIRT2 deacetylation activity using SIRT1 acetyl-lysine as substrate in presence of beta-NAD+ after 12 mins by reversed-phase HPLC analysis
50011121	3	ChEMBL_1994286 (CHEMBL4628181)	Inhibition of His6-tagged human SIRT3 deacetylation activity using SIRT3 acetyl-lysine as substrate substrate in presence of beta-NAD+ after 10 mins by reversed-phase HPLC analysis
50011121	4	ChEMBL_1994287 (CHEMBL4628182)	Inhibition of His6-tagged human SIRT5 desuccinylation activity using succinyl-lysine as substrate in presence of beta-NAD+ after 5 mins by reversed-phase HPLC analysis
50011121	5	ChEMBL_1994288 (CHEMBL4628183)	Inhibition of His6-tagged human SIRT6 demyristoylation activity using myristoyl-lysine substrate in presence of beta-NAD+ after 12 mins by reversed-phase HPLC analysis
50011121	6	ChEMBL_1994289 (CHEMBL4628184)	Inhibition of tRNA-activated His6-tagged human SIRT7 deacetylation activity using acetyl-lysine as substrate in presence of beta-NAD+ after 30 mins by reversed-phase HPLC analysis
50011122	1	ChEMBL_1994333 (CHEMBL4628228)	Binding affinity to human wlid-type alpha-synuclein by SPR analysis
50011123	1	ChEMBL_1994353 (CHEMBL4628248)	Displacement of tracer from PKN2 (unknown origin) by TR-FRET assay
50011123	2	ChEMBL_1994354 (CHEMBL4628249)	Displacement of tracer from PKN1 (unknown origin) by TR-FRET assay
50011123	3	ChEMBL_1994350 (CHEMBL4628245)	Inhibition of His/GST-tagged PKN2 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluorescence microplate reader assay
50011123	4	ChEMBL_1994351 (CHEMBL4628246)	Inhibition of His/GST-tagged PKN1 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluorescence microplate reader assay
50011123	5	ChEMBL_1994352 (CHEMBL4628247)	Inhibition of His/GST-tagged CLK4 (unknown origin) using biotinylated peptide as substrate measured after 1 hr in presence of [gamma-33P]-ATP by fluorescence microplate reader assay
50011124	1	ChEMBL_1994359 (CHEMBL4628254)	Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to control
50011124	2	ChEMBL_1994360 (CHEMBL4628255)	Inhibition of Ezh1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay
50011124	3	ChEMBL_1994361 (CHEMBL4628256)	Inhibition of SMYD3 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold SAM was added measured after 1 hr by radioisotope assay
50011124	4	ChEMBL_1994362 (CHEMBL4628257)	Inhibition of MLL1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay
50011124	5	ChEMBL_1994363 (CHEMBL4628258)	Inhibition of NSD2 (unknown origin) preincubated for 15 mins followed by addition of [3H]-SAM as substrate and peptide solution after 240 mins cold SAM was added measured by radioisotope assay
50011124	6	ChEMBL_1994370 (CHEMBL4628265)	Inhibition of recombinant human SET7 expressed in Escherichia coli using [3H] SAM as substrate by scintillation counter assay
50011125	1	ChEMBL_1994371 (CHEMBL4628266)	Inhibition of human recombinant C-terminal FLAG-tagged SMS2 expressed in Freestyle293 cell membrane using C14-phosphatidylcholineD72 and C17-ceramide pre-incubated for 60 mins followed by incubation with substrate for 30 mins measured by RapidFire/MS assay
50011125	2	ChEMBL_1994372 (CHEMBL4628267)	Inhibition of mouse recombinant C-terminal FLAG-tagged SMS2 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramide pre-incubated for 60 mins followed by incubation with substrate for 30 mins measured by RapidFire/MS assay
50011125	3	ChEMBL_1994373 (CHEMBL4628268)	Inhibition of human recombinant C-terminal FLAG-tagged SMS1 expressed in mammalian expression system using C14-phosphatidylcholineD72 and C17-ceramide pre-incubated for 60 mins followed by incubation with substrate for 30 mins measured by RapidFire/MS assay
50011126	1	ChEMBL_1994391 (CHEMBL4628286)	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 60 mins by fluorescence based assay
50011126	2	ChEMBL_1994392 (CHEMBL4628287)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 24 hrs by UV-spectrophotometry
50011127	1	ChEMBL_1994395 (CHEMBL4628290)	Inhibition of PARP1 (unknown origin)
50011127	2	ChEMBL_1994397 (CHEMBL4628292)	Inhibition of HDAC1 (unknown origin)
50011128	1	ChEMBL_1994405 (CHEMBL4628300)	Inhibition of recombinant human MAOA expressed in baculovirus infected in BTI cells using kynuramine as substrate after 30 mins by fluorescence based assay
50011128	2	ChEMBL_1994406 (CHEMBL4628301)	Inhibition of recombinant human MAOB expressed in baculovirus infected in BTI cells using kynuramine as substrate after 30 mins by fluorescence based assay
50011131	1	ChEMBL_1994446 (CHEMBL4628341)	Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labelled U5B/U5A DNA as substrate measured after 2 hrs by polyacrylamide gel electrophoresis method
50011134	1	ChEMBL_1994453 (CHEMBL4628348)	Inhibition of BACE1 (unknown origin)
50011134	3	ChEMBL_1994455 (CHEMBL4628350)	Inhibition of BACE2 (unknown origin)
50011134	4	ChEMBL_1994461 (CHEMBL4628356)	Inhibition of CYP2D6 (unknown origin)
50011134	5	ChEMBL_1994467 (CHEMBL4628362)	Inhibition of human ERG
50011134	6	ChEMBL_1994462 (CHEMBL4628357)	Inhibition of CYP1A2 (unknown origin)
50011134	7	ChEMBL_1994463 (CHEMBL4628358)	Inhibition of CYP3A4 (unknown origin)
50011134	8	ChEMBL_1994464 (CHEMBL4628359)	Inhibition of CYP2C8 (unknown origin)
50011134	9	ChEMBL_1994465 (CHEMBL4628360)	Inhibition of CYP2C9 (unknown origin)
50011134	10	ChEMBL_1994466 (CHEMBL4628361)	Inhibition of CYP2C19 (unknown origin)
50011135	1	ChEMBL_1994468 (CHEMBL4628363)	Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO cells by ELISA based solid phase binding assay
50011135	2	ChEMBL_1994469 (CHEMBL4628364)	Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta5 (Gly24 to Asn719 residues) expressed in CHO cells by ELISA based solid phase binding assay
50011135	3	ChEMBL_1994472 (CHEMBL4628367)	Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO cells by ELISA based solid phase binding assay
50011135	4	ChEMBL_1994470 (CHEMBL4628365)	Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta6 (Gly22 to Asn707 residues) expressed in CHO cells by ELISA based solid phase binding assay
50011135	5	ChEMBL_1994471 (CHEMBL4628366)	Inhibition of latency-associated peptide/TGF-beta binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta8 (Glu43 to Arg684 residues) expressed in CHO cells by ELISA based solid phase binding assay
50011135	6	ChEMBL_1994473 (CHEMBL4628368)	Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay
50011137	1	ChEMBL_1994482 (CHEMBL4628377)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate addition by spectrophotometric method
50011137	2	ChEMBL_1994481 (CHEMBL4628376)	Inhibition of beta-glucuronidase (unknown origin)
50011139	1	ChEMBL_1994487 (CHEMBL4628382)	Binding affinity to human D5 receptor
50011139	2	ChEMBL_1994486 (CHEMBL4628381)	Binding affinity to human D2 receptor
50011139	3	ChEMBL_1994485 (CHEMBL4628380)	Binding affinity to human D1 receptor
50011139	4	ChEMBL_1994484 (CHEMBL4628379)	Binding affinity to human 5HT2A receptor
50011139	5	ChEMBL_1994483 (CHEMBL4628378)	Binding affinity to human 5HT1A receptor
50011139	6	ChEMBL_1994493 (CHEMBL4628388)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO cells incubated for 150 mins by radio ligand binding assay
50011139	7	ChEMBL_1994494 (CHEMBL4628389)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells incubated for 40 mins by radio ligand binding assay
50011139	8	ChEMBL_1994495 (CHEMBL4628390)	Displacement of [3H]SCH23390 from human D1 receptor expressed in L cells incubated for 60 mins by radio ligand binding assay
50011139	9	ChEMBL_1994496 (CHEMBL4628391)	Displacement of [125I]iodosulpride from human D2 receptor expressed in CHO cells incubated for 40 mins by radio ligand binding assay
50011139	10	ChEMBL_1994497 (CHEMBL4628392)	Displacement of [3H]SCH23390 from human D5 receptor expressed in CH4Cl cells incubated for 60 mins by radio ligand binding assay
50011140	1	ChEMBL_1994566 (CHEMBL4628461)	Inhibition of human HDAC1
50011140	2	ChEMBL_1994567 (CHEMBL4628462)	Inhibition of human HDAC3
50011140	3	ChEMBL_1994571 (CHEMBL4628466)	Inhibition of human class I HDAC
50011140	4	ChEMBL_1994574 (CHEMBL4628469)	Inhibition of Trypanosoma cruzi CYP51
50011141	1	ChEMBL_1994579 (CHEMBL4628474)	Reversible inhibition of recombinant human KAT2 assessed as reduction in kynurenic acid formation using L-kynurenine as substrate by fluorescence assay
50011142	1	ChEMBL_1994600 (CHEMBL4628495)	Antagonist activity at human PAR1 expressed in KNRK cells assessed as inhibition of agonist-induced intracellular calcium mobilization by fluorimetric assay
50011143	1	ChEMBL_1994606 (CHEMBL4628501)	Inhibition of recombinant epitope-tagged JAK2 (828-1132 residues) (unknown origin) in presence of ATP by time resolved fluorescence assay
50011143	2	ChEMBL_1994607 (CHEMBL4628502)	Inhibition of recombinant epitope-tagged JAK1 (837-1142 residues) (unknown origin) in presence of ATP by time resolved fluorescence assay
50011143	3	ChEMBL_1994608 (CHEMBL4628503)	Inhibition of JAK2 (unknown origin)
50011143	4	ChEMBL_1994610 (CHEMBL4628505)	Inhibition of JAK1 (unknown origin)
50011143	5	ChEMBL_1994611 (CHEMBL4628506)	Inhibition of JAK3 (unknown origin)
50011144	1	ChEMBL_1994620 (CHEMBL4628515)	Inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counting method
50011144	2	ChEMBL_1994631 (CHEMBL4628526)	Reversible inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counting method
50011144	3	ChEMBL_1994632 (CHEMBL4628527)	Irreversible inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by scintillation counting method
50011144	4	ChEMBL_1994621 (CHEMBL4628516)	Reversible inhibition of steroid sulfatase in human JEG3 cells using [3H] E1S as substrate by scintillation counting method
50011144	5	ChEMBL_1994630 (CHEMBL4628525)	Irreversible inhibition of human steroid sulfatase expressed in HEK293 cells using [3H] E1S as substrate after 2 hrs by liquid scintillation counting method
50011146	1	ChEMBL_1994634 (CHEMBL4628529)	Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EIA
50011146	2	ChEMBL_1994635 (CHEMBL4628530)	Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EIA
50011146	3	ChEMBL_1994655 (CHEMBL4628550)	Inhibition of COX2 (unknown origin)
50011146	4	ChEMBL_1994656 (CHEMBL4628551)	Inhibition of human COX1 expressed in CHO cells assessed as reduction in arachidonic acid-stimulated PGE2 production
50011146	5	ChEMBL_1994657 (CHEMBL4628552)	Inhibition of human COX2 expressed in CHO cells assessed as reduction in arachidonic acid-stimulated PGE2 production
50011147	1	ChEMBL_1994668 (CHEMBL4628563)	Inhibition of adrenergic receptor alpha1 (unknown origin)
50011147	2	ChEMBL_1994669 (CHEMBL4628564)	Agonist activity at D2S (unknown origin)
50011150	1	ChEMBL_1994717 (CHEMBL4628612)	Inhibition of EGFR in human KB cells assessed as reduction in EGF-stimulated EGFR phosphorylation preincubated for 1 hr followed by EGF stimulation and measured after 6 mins by ELISA
50011150	2	ChEMBL_1994718 (CHEMBL4628613)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 40 mins in presence of ATP by caliper mobility shift assay
50011150	3	ChEMBL_1994719 (CHEMBL4628614)	Inhibition of HER2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 40 mins in presence of ATP by caliper mobility shift assay
50011151	1	ChEMBL_1994769 (CHEMBL4628664)	Inhibition of IDH1 R132C mutant (unknown origin)
50011151	2	ChEMBL_1994770 (CHEMBL4628665)	Inhibition of IDH1 R132H mutant (unknown origin)
50011151	3	ChEMBL_1994768 (CHEMBL4628663)	Inhibition of wild type IDH1 (unknown origin)
50011151	4	ChEMBL_1994771 (CHEMBL4628666)	Inhibition of wild type IDH2 (unknown origin)
50011151	5	ChEMBL_1994767 (CHEMBL4628662)	Inhibition of IDH2 R140Q mutant (unknown origin)
50011151	6	ChEMBL_1994772 (CHEMBL4628667)	Inhibition of IDH2 R172K mutant (unknown origin)
50011152	1	ChEMBL_1994850 (CHEMBL4628745)	Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells by competitive binding assay
50011152	2	ChEMBL_1994848 (CHEMBL4628743)	Displacement of [3H]ZM241383 from human A2AR expressed in CHO cells by competitive binding assay
50011152	3	ChEMBL_1994849 (CHEMBL4628744)	Inhibition of human A2B receptor expressed in CHO cells assessed as reduction in cAMP production
50011152	4	ChEMBL_1994852 (CHEMBL4628747)	Displacement of [3H]AB-MEGA from human A3R expressed in CHO cells by competitive binding assay
50011152	5	ChEMBL_1994856 (CHEMBL4628751)	Inverse agonist activity at human A2B receptor expressed in CHO cells assessed as reduction in cAMP level
50011153	1	ChEMBL_1994865 (CHEMBL4628760)	Inhibition of electric eel AchE using acetylthiocholine as substrate by Ellman's method
50011153	2	ChEMBL_1994867 (CHEMBL4628762)	Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method
50011153	3	ChEMBL_1994863 (CHEMBL4628758)	Inhibition of human BuchE
50011153	4	ChEMBL_1994861 (CHEMBL4628756)	Inhibition of human AchE
50011154	1	ChEMBL_1994882 (CHEMBL4628777)	Inhibition of cMET (unknown origin) using FAM-labeled peptide as substrate pre-incubated for 5 to 10 mins followed by substrate addition and measured after 30 to 60 mins by mobility shift assay
50011155	1	ChEMBL_1994888 (CHEMBL4628783)	Inhibition of SET7 (unknown origin) using biotinylated histone polypeptide as substrate in presence of SAM by AlphaLISA assay
50011155	2	ChEMBL_1994889 (CHEMBL4628784)	Binding affinity to SET7 (unknown origin) by SPR analysis
50011157	1	ChEMBL_1994916 (CHEMBL4628811)	Binding affinity to full length human CYP46A1 expressed in Escherichia coli DH5alpha as cholesterol-24 hydroxylation using cholesterol as substrate incubated for 30 mins in presence of NADPH cytochrome P450 oxidoreductase by gas chromatography-mass spectrometry
50011158	1	ChEMBL_1994929 (CHEMBL4628824)	Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay
50011158	2	ChEMBL_1994930 (CHEMBL4628825)	Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay
50011158	3	ChEMBL_1994940 (CHEMBL4628835)	Inhibition of human CDK4/cyclin-D1 (unknown origin)
50011158	4	ChEMBL_1994941 (CHEMBL4628836)	Inhibition of human CDK6/cyclin-D2 (unknown origin)
50011159	1	ChEMBL_1994961 (CHEMBL4628856)	Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method
50011159	2	ChEMBL_1994960 (CHEMBL4628855)	Displacement of [3H]-DAMGO from Wistar rat mu opioid receptor incubated for 1 hr by liquid scintillation counting method
50011159	3	ChEMBL_1994963 (CHEMBL4628858)	Agonist activity at mu opioid receptor (unknown origin) expressed in human HEK293 cells assessed as increase in cAMP accumulation using [3H]-cAMP as substrate measured after 30mins by liquid scintillation counting method
50011159	4	ChEMBL_1994962 (CHEMBL4628857)	Displacement of[3H]-U69,593 from Wistar rat kappa opioid receptor incubated for 1.5 hrs by liquid scintillation counting method
50011162	1	ChEMBL_1995012 (CHEMBL4628907)	Agonist activity at human EP4 receptor expressed in HEK293 cells by calcium-5 dye based FLIPR assay
50011162	2	ChEMBL_1995014 (CHEMBL4628909)	Agonist activity at human EP1 receptor expressed in HEK293 cells by calcium-5 dye based FLIPR assay
50011162	3	ChEMBL_1995015 (CHEMBL4628910)	Agonist activity at human EP2 receptor expressed in HEK293 cells by calcium-5 dye based FLIPR assay
50011162	4	ChEMBL_1995016 (CHEMBL4628911)	Agonist activity at human EP3 receptor expressed in HEK293 cells by calcium-5 dye based FLIPR assay
50011165	1	ChEMBL_1995017 (CHEMBL4628912)	Inhibition of Lyn (unknown origin)
50011166	1	ChEMBL_1995127 (CHEMBL4629022)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins by ADPH-based fluorescence assay
50011166	2	ChEMBL_1995128 (CHEMBL4629023)	Inhibition of bovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by ADPH-based fluorescence assay
50011170	1	ChEMBL_1995138 (CHEMBL4629033)	Inhibition of recombinant human PDE4B expressed in baculovirus infected Sf9 cells using [3H] cAMP as substrate after 30 min by scintillation proximity assay
50011170	2	ChEMBL_1995140 (CHEMBL4629035)	Inhibition of PDE4 (unknown origin) assessed as inhibition of TNF-alpha release
50011171	1	ChEMBL_1995146 (CHEMBL4629041)	Inhibition of GFP-tagged Sortilin (unknown origin) expressed in HEK293T cells after 42 hrs by FACS analysis
50011171	2	ChEMBL_1995145 (CHEMBL4629040)	Inhibition of FITC-tagged human CD4 expressed in human SUP-T1 cells after 72 hrs by FACS analysis
50011172	1	ChEMBL_1995237 (CHEMBL4629132)	Inhibition of HSP90 (unknown origin) by fluorescence quenching method
50011172	2	ChEMBL_1995241 (CHEMBL4629136)	Binding affinity to HSP90 (unknown origin) by fluorescence quenching method
50011173	1	ChEMBL_1995264 (CHEMBL4629159)	Displacement of [3H]-NECA from human A2A receptor expressed in CHO cells
50011173	2	ChEMBL_1995263 (CHEMBL4629158)	Displacement of [3H]-CCPA from human A1 receptor expressed in CHO cells
50011173	3	ChEMBL_1995265 (CHEMBL4629160)	Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cells
50011173	4	ChEMBL_1995266 (CHEMBL4629161)	Antagonist activity against human A2B adenosine receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cylase activity
50011174	1	ChEMBL_1995298 (CHEMBL4629193)	Displacement of [3H]-ketanserin from 5HT2A receptor in rat cortex measured after 30 mins
50011174	2	ChEMBL_1995291 (CHEMBL4629186)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50011174	3	ChEMBL_1995292 (CHEMBL4629187)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50011174	4	ChEMBL_1995297 (CHEMBL4629192)	Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampus measured after 30 mins
50011174	5	ChEMBL_1995293 (CHEMBL4629188)	Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting method
50011174	6	ChEMBL_1995294 (CHEMBL4629189)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50011174	7	ChEMBL_1995296 (CHEMBL4629191)	Displacement of [3H]-spiperone from D2 receptor in rat striatum measured after 10 mins
50011174	8	ChEMBL_1995295 (CHEMBL4629190)	Displacement of [3H]-5-CT from human 5HT7b receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50011174	9	ChEMBL_1995299 (CHEMBL4629194)	Displacement of [3H]-5-CT from human recombinant 5HT7b receptor measured after 2 hrs
50011175	1	ChEMBL_1995301 (CHEMBL4629196)	Inhibition of human plasma renin assessed as reduction in endogenous angiotensin 1 production in plasma
50011177	1	ChEMBL_1995311 (CHEMBL4629206)	Agonist activity at S1P1 (unknown origin) by HTRF assay
50011177	2	ChEMBL_1995312 (CHEMBL4629207)	Agonist activity at S1PR3 (unknown origin) by HTRF assay
50011178	1	ChEMBL_1995343 (CHEMBL4629238)	Inhibition of N-terminal GST-tagged human FGFR3 cytoplasmic domain (436-806 end amino acids residues) expressed in baculovirus expression system preincubated for 30 to 120 mins followed by incubation with substrate and ATP for 30 mins by off-chip mobility shift assay
50011178	2	ChEMBL_1995344 (CHEMBL4629239)	Inhibition of N-terminal GST-tagged human VEGFR2 cytoplasmic domain (790-1356 end amino acid residue) expressed in baculovirus expression system preincubated for 30 to 120 mins followed by incubation with substrate and ATP for 30 mins by off-chip mobility shift assay
50011178	3	ChEMBL_1995345 (CHEMBL4629240)	Inhibition of human recombinant N-terminal His6 tagged FGFR3 (447 to 761 residues) expressed in Sf21 cells using FLT3 peptide as substrate preincubated for 60 mins followed by substrate addition measured after 60 mins in presence of ATP by time resolved fluorescence assay
50011178	4	ChEMBL_1995346 (CHEMBL4629241)	Inhibition of N-terminal GST-tagged human FGFR1 cytoplasmic domain (398-822 end amino acids residues) expressed in baculovirus expression system preincubated for 30 to 120 mins followed by incubation with substrate and ATP for 30 mins by off-chip mobility shift assay
50011178	5	ChEMBL_1995347 (CHEMBL4629242)	Inhibition of N-terminal GST-tagged human FGFR2 cytoplasmic domain (399-821 end amino acids residues) expressed in baculovirus expression system preincubated for 30 to 120 mins followed by incubation with substrate and ATP for 30 mins by off-chip mobility shift assay
50011178	6	ChEMBL_1995348 (CHEMBL4629243)	Inhibition of N-terminal GST-tagged human FGFR4 cytoplasmic domain (460-802 end amino acids residues) expressed in baculovirus expression system preincubated for 30 to 120 mins followed by incubation with substrate and ATP for 30 mins by off-chip mobility shift assay
50011178	7	ChEMBL_1995349 (CHEMBL4629244)	Inhibition of human N-terminal His6-tagged VEGFR2 (790 to end residues) expressed in baculovirus infected Sf21 cells using FLT3 peptide as substrate preincubated for 60 mins followed by substrate addition in presence of ATP by time resolved fluorescence assay
50011178	8	ChEMBL_1995351 (CHEMBL4629246)	Inhibition of FGFR3 (unknown origin) expressed in baculovirus infected insect cells using biotinylated-GGGGQDGKDYIVLPI peptide as substrate incubated for 1 to 4 hrs by TRF assay
50011178	9	ChEMBL_1995352 (CHEMBL4629247)	Inhibition of VEGFR2 (unknown origin) expressed in baculovirus infected insect cells using biotinylated-GGGGQDGKDYIVLPI peptide as substrate incubated for 1 to 4 hrs by TRF assay
50011182	1	ChEMBL_1995376 (CHEMBL4629271)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells
50011182	2	ChEMBL_1995377 (CHEMBL4629272)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells
50011182	3	ChEMBL_1995378 (CHEMBL4629273)	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells
50011182	4	ChEMBL_1995388 (CHEMBL4629283)	Inverse agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50011182	5	ChEMBL_1995381 (CHEMBL4629276)	Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay
50011186	2	ChEMBL_1995391 (CHEMBL4629286)	Inhibition of HSP90 ATPase activity (unknown origin)
50011187	1	ChEMBL_1995422 (CHEMBL4629317)	Inhibition of HDAC6 (unknown origin)
50011187	2	ChEMBL_1995426 (CHEMBL4629321)	Inhibition of MELK (unknown origin)
50011187	3	ChEMBL_1995424 (CHEMBL4629319)	Inhibition of amino-terminal MBP-tagged/carboxy-terminal His6-tagged human PPP1R15A (325 to 626 residues)
50011187	4	ChEMBL_1995425 (CHEMBL4629320)	Inhibition of amino-terminal MBP-tagged/carboxy-terminal His6-tagged human PPP1R15B (325 to 626 residues)
50011188	1	ChEMBL_1995427 (CHEMBL4629322)	Agonist activity at GAL-4 fused RORgammat (unknown origin) expressed in Jurkat cells by luciferase reporter gene assay
50011188	2	ChEMBL_1995433 (CHEMBL4629328)	Agonist activity at Gal4-fused RORalpha (unknown origin)
50011188	3	ChEMBL_1995434 (CHEMBL4629329)	Agonist activity at Gal4-fused RORbeta (unknown origin)
50011188	4	ChEMBL_1995441 (CHEMBL4629336)	Agonist activity at RORgammat in mouse whole blood assessed as induction of IL-17A expression
50011189	1	ChEMBL_1995468 (CHEMBL4629363)	Inhibition of FAAH (unknown origin)
50011189	2	ChEMBL_1995465 (CHEMBL4629360)	Reversible inhibition of wild type human MAGL using 4-methylumbelliferyl butyrate as substrate measured after 5 mins by fluorescence assay
50011190	1	ChEMBL_1995644 (CHEMBL4629539)	Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 0.5 uM by measuring colchine IC50 after 72 hrs by CCK8 assay (Rvb = 97.58 +/- 17.62 uM)
50011190	2	ChEMBL_1995643 (CHEMBL4629538)	Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 1 uM by measuring colchine IC50 after 72 hrs by CCK8 assay (Rvb = 97.58 +/- 17.62 uM)
50011190	3	ChEMBL_1995642 (CHEMBL4629537)	Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 2 uM by measuring colchine IC50 after 72 hrs by CCK8 assay (Rvb = 97.58 +/- 17.62 uM)
50011190	4	ChEMBL_1995641 (CHEMBL4629536)	Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 3 uM by measuring colchine IC50 after 72 hrs by CCK8 assay (Rvb = 97.58 +/- 17.62 uM)
50011190	5	ChEMBL_1995628 (CHEMBL4629523)	Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposide IC50 at 0.5 uM after 72 hrs by CCK8 assay (Rvb = 63.34 +/- 7.92 uM)
50011190	6	ChEMBL_1995627 (CHEMBL4629522)	Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposide IC50 at 1 uM after 72 hrs by CCK8 assay (Rvb = 63.34 +/- 7.92 uM)
50011190	7	ChEMBL_1995626 (CHEMBL4629521)	Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposide IC50 at 2 uM after 72 hrs by CCK8 assay (Rvb = 63.34 +/- 7.92 uM)
50011190	8	ChEMBL_1995625 (CHEMBL4629520)	Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposide IC50 at 3 uM after 72 hrs by CCK8 assay (Rvb = 63.34 +/- 7.92 uM)
50011190	9	ChEMBL_1995613 (CHEMBL4629508)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 0.5 uM after 72 hrs by CCK8 assay (Rvb = 50.66 +/- 6.88 nM)
50011190	10	ChEMBL_1995611 (CHEMBL4629506)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 1 uM after 72 hrs by CCK8 assay (Rvb = 50.66 +/- 6.88 nM)
50011190	11	ChEMBL_1995610 (CHEMBL4629505)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 2 uM after 72 hrs by CCK8 assay (Rvb = 50.66 +/- 6.88 nM)
50011190	12	ChEMBL_1995609 (CHEMBL4629504)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 3 uM after 72 hrs by CCK8 assay (Rvb = 50.66 +/- 6.88 nM)
50011190	13	ChEMBL_1995600 (CHEMBL4629495)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 0.5 uM after 72 hrs by CCK8 assay (Rvb = 201.31 +/- 25.89 nM)
50011190	14	ChEMBL_1995599 (CHEMBL4629494)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 1 uM after 72 hrs by CCK8 assay (Rvb = 201.31 +/- 25.89 nM)
50011190	15	ChEMBL_1995598 (CHEMBL4629493)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 2 uM after 72 hrs by CCK8 assay (Rvb = 201.31 +/- 25.89 nM)
50011190	16	ChEMBL_1995597 (CHEMBL4629492)	Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 3 uM after 72 hrs by CCK8 assay (Rvb = 201.31 +/- 25.89 nM)
50011190	17	ChEMBL_1995584 (CHEMBL4629479)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 0.5 uM after 72 hrs by MTT assay (Rvb = 73.62 +/- 7.20 uM)
50011190	18	ChEMBL_1995583 (CHEMBL4629478)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 1 uM after 72 hrs by MTT assay (Rvb = 73.62 +/- 7.20 uM)
50011190	19	ChEMBL_1995582 (CHEMBL4629477)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 2 uM after 72 hrs by MTT assay (Rvb = 73.62 +/- 7.20 uM)
50011190	20	ChEMBL_1995581 (CHEMBL4629476)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 3 uM after 72 hrs by MTT assay (Rvb = 73.62 +/- 7.20 uM)
50011190	21	ChEMBL_1995568 (CHEMBL4629463)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 0.5 uM after 72 hrs by MTT assay (Rvb = 10.14 +/- 2.820 uM)
50011190	22	ChEMBL_1995567 (CHEMBL4629462)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 1 uM after 72 hrs by MTT assay (Rvb = 10.14 +/- 2.820 uM)
50011190	23	ChEMBL_1995566 (CHEMBL4629461)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 2 uM after 72 hrs by MTT assay (Rvb = 10.14 +/- 2.820 uM)
50011190	24	ChEMBL_1995565 (CHEMBL4629460)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 3 uM after 72 hrs by MTT assay (Rvb = 10.14 +/- 2.820 uM)
50011190	25	ChEMBL_1995552 (CHEMBL4629447)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 0.5 uM after 72 hrs by MTT assay (Rvb = 1160.60 +/- 365.72 nM)
50011190	26	ChEMBL_1995551 (CHEMBL4629446)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 1 uM after 72 hrs by MTT assay (Rvb = 1160.60 +/- 365.72 nM)
50011190	27	ChEMBL_1995550 (CHEMBL4629445)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 2 uM after 72 hrs by MTT assay (Rvb = 1160.60 +/- 365.72 nM)
50011190	28	ChEMBL_1995549 (CHEMBL4629444)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitoxantrone IC50 at 3 uM after 72 hrs by MTT assay (Rvb = 1160.60 +/- 365.72 nM)
50011190	29	ChEMBL_1995536 (CHEMBL4629431)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 0.5 uM after 72 hrs by MTT assay (Rvb = 1319.20 +/- 356.14 nM)
50011190	30	ChEMBL_1995535 (CHEMBL4629430)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 1 uM after 72 hrs by MTT assay (Rvb = 1319.20 +/- 356.14 nM)
50011190	31	ChEMBL_1995534 (CHEMBL4629429)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 2 uM after 72 hrs by MTT assay (Rvb = 1319.20 +/- 356.14 nM)
50011190	32	ChEMBL_1995533 (CHEMBL4629428)	Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by measuring topotecan IC50 at 3 uM after 72 hrs by MTT assay (Rvb = 1319.20 +/- 356.14 nM)
50011190	33	ChEMBL_1995485 (CHEMBL4629380)	Modulation of ABCG2 (unknown origin) expressed in High Five insect cell vesicle membrane assessed as stimulation of ATPase activity after 20 mins by colorimetric assay
50011190	34	ChEMBL_1995477 (CHEMBL4629372)	Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposide IC50 at 25 uM after 72 hrs by CCK8 assay (Rvb = 63.34 +/- 7.92 uM)
50011191	1	ChEMBL_1995677 (CHEMBL4629572)	Agonist activity at recombinant human pFA-CMV fused PPARgamma expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay
50011191	2	ChEMBL_1995679 (CHEMBL4629574)	Binding affinity to recombinant PPARgamma LBD (unknown origin) by isothermal titration calorimetry
50011191	3	ChEMBL_1995681 (CHEMBL4629576)	Agonist activity at recombinant human pFA-CMV fused RXRalpha LBD expressed in HEK293T cells transfected with pFR-luciferase plasmid and pRL-SV40 plasmid incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay
50011191	4	ChEMBL_1995682 (CHEMBL4629577)	Binding affinity to RXRalpha LBD (unknown origin) by isothermal titration calorimetry
50011191	5	ChEMBL_1995725 (CHEMBL4629620)	Agonist activity at THRalpha (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay
50011191	6	ChEMBL_1995727 (CHEMBL4629622)	Agonist activity at THRbeta (unknown origin) incubated for 14 to 16 hrs by dual glo luciferase reporter gene assay
50011191	7	ChEMBL_1995688 (CHEMBL4629583)	Agonist activity at GFP RXRalpha LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment incubated for 2 hrs by HT-FRET assay
50011191	8	ChEMBL_1995746 (CHEMBL4629641)	Agonist activity at GST-labelled THRbeta ( 202 to 461 residues) (unknown origin) incubated for 2 hrs in presence SRC1-2 co-activator peptide by Alphascreen assay
50011191	9	ChEMBL_1995747 (CHEMBL4629642)	Agonist activity at human THRalpha expressed in CHO cells after 24 hrs by luciferase assay
50011191	10	ChEMBL_1995748 (CHEMBL4629643)	Agonist activity at human THRbeta expressed in CHO cells after 24 hrs by luciferase assay
50011191	11	ChEMBL_1995749 (CHEMBL4629644)	Agonist activity at human THRalpha expressed in baculovirus infected SF9 cells after 15 mins by gel electrophoresis
50011191	12	ChEMBL_1995750 (CHEMBL4629645)	Agonist activity at human THRbeta expressed in green monkey CV1 cells after 24 hrs by luciferase assay
50011192	1	ChEMBL_1995781 (CHEMBL4629676)	Inhibition of human liver FBP1 incubated for 5 mins by fluorescence method
50011193	1	ChEMBL_1995817 (CHEMBL4629712)	Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20 mins followed by veratridine stimulation by 1X red membrane potential dye based FLIPR assay
50011193	2	ChEMBL_1995818 (CHEMBL4629713)	Inhibition of Nav1.5 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20 mins followed by veratridine stimulation by 1X red membrane potential dye based FLIPR assay
50011193	3	ChEMBL_1995837 (CHEMBL4629732)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single pulse protocol based manual patch clamp assay
50011193	4	ChEMBL_1995838 (CHEMBL4629733)	Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of fast inactivation at 10 Hz frequency at -120 mV holding potential by single pulse protocol based manual patch clamp assay
50011193	5	ChEMBL_1995839 (CHEMBL4629734)	Use-dependent inhibition of human Nav1.7 expressed in HEK293 cells at 25 pulse 10 Hz frequency at -120 mV holding potential by manual patch clamp assay
50011193	6	ChEMBL_1995840 (CHEMBL4629735)	Inhibition of human Nav1.7 at resting state expressed in HEK293 cells at -120 mV holding potential by 10 Hz single pulse protocol based manual patch clamp assay
50011193	7	ChEMBL_1995870 (CHEMBL4629765)	Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single pulse protocol based manual patch clamp assay
50011193	8	ChEMBL_1995871 (CHEMBL4629766)	Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as V1/2 of fast inactivation at 10 Hz frequency at -120 mV holding potential by single pulse protocol based manual patch clamp assay
50011193	9	ChEMBL_1995872 (CHEMBL4629767)	Use-dependent inhibition of mouse Nav1.7 expressed in HEK293 cells at 25 pulse 10 Hz frequency at -120 mV holding potential by manual patch clamp assay
50011193	10	ChEMBL_1995883 (CHEMBL4629778)	Inhibition of human Nav1.2 expressed in HEK293 cells assessed as V1/2 of inactivation at -120 mV holding potential by 10 Hz frequency two pulse protocol based manual patch clamp assay
50011193	11	ChEMBL_1995911 (CHEMBL4629806)	Inhibition of mouse Nav1.7 expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20 mins followed by veratridine stimulation by 1X red membrane potential dye based FLIPR assay
50011197	1	ChEMBL_1995980 (CHEMBL4629875)	Inhibition of human RIPK4 using histone H2A as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	2	ChEMBL_1995981 (CHEMBL4629876)	Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	3	ChEMBL_1995982 (CHEMBL4629877)	Inhibition of human PIM1 using KKRNRTLTK as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	4	ChEMBL_1995983 (CHEMBL4629878)	Inhibition of human TAK1 using casein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	5	ChEMBL_1995984 (CHEMBL4629879)	Inhibition of human CK2a using RRRDDDSDDD as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	6	ChEMBL_1995985 (CHEMBL4629880)	Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	7	ChEMBL_1995986 (CHEMBL4629881)	Inhibition of human PIP5K1C using PI(4)P:PS as substrate by hotspot kinase assay
50011197	8	ChEMBL_1995987 (CHEMBL4629882)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	9	ChEMBL_1995988 (CHEMBL4629883)	Inhibition of human MLK3 using myelin basic protein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	10	ChEMBL_1995989 (CHEMBL4629884)	Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	11	ChEMBL_1995990 (CHEMBL4629885)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	12	ChEMBL_1995991 (CHEMBL4629886)	Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubated for 15 mins followed by ATP addition and measured after 2 hrs by ADP-glo luminescence assay
50011197	13	ChEMBL_1995999 (CHEMBL4629894)	Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured after 4 hrs by Western blot analysis
50011197	14	ChEMBL_1996000 (CHEMBL4629895)	Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	15	ChEMBL_1996001 (CHEMBL4629896)	Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50011197	16	ChEMBL_1996015 (CHEMBL4629910)	Inhibition of CYP2C9 (unknown origin)
50011197	17	ChEMBL_1996016 (CHEMBL4629911)	Inhibition of CYP2C19 (unknown origin)
50011197	18	ChEMBL_1996017 (CHEMBL4629912)	Inhibition of human ERG by Ionworks electrophysiology assay
50011197	19	ChEMBL_1996019 (CHEMBL4629914)	Inhibition of CYP1A2 (unknown origin)
50011197	20	ChEMBL_1996020 (CHEMBL4629915)	Inhibition of CYP2D6 (unknown origin)
50011197	21	ChEMBL_1996021 (CHEMBL4629916)	Inhibition of CYP3A4 (unknown origin)
50011197	22	ChEMBL_1996061 (CHEMBL4629956)	Inhibition of human CAMK1G using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot assay
50011198	1	ChEMBL_1996091 (CHEMBL4629986)	Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assay
50011199	1	ChEMBL_1996111 (CHEMBL4630006)	Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mins in presence of ATP by fluorescence method
50011199	2	ChEMBL_1996112 (CHEMBL4630007)	Inhibition of N-terminal His6-tagged recombinant full-length human Lck using TK-substrate-biotin as substrate incubated for 60 mins in presence of ATP by fluorescence method
50011199	3	ChEMBL_1996120 (CHEMBL4630015)	Inhibition of N-terminal GST-fused human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrate incubated for 60 mins in presence of ATP by fluorescence method
50011199	4	ChEMBL_1996121 (CHEMBL4630016)	Inhibition of N-terminal GST-fused human JAK2 (880 to end residues) expressed in baculovirus infected Sf21 cells using TK-substrate-biotin as substrate incubated for 60 mins in presence of ATP by fluorescence method
50011199	5	ChEMBL_1996122 (CHEMBL4630017)	Inhibition of N-terminal GST-fused human TyK2 (871 to end residues) expressed in baculovirus expression system using TK-substrate-biotin as substrate incubated for 60 mins in presence of ATP by fluorescence method
50011199	6	ChEMBL_1996123 (CHEMBL4630018)	Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL2-induced Stat5 phosphorylation in CD3+CD4+ cells preincubated for 30 mins followed by IL2 stimulation and measured after 15 mins
50011199	7	ChEMBL_1996124 (CHEMBL4630019)	Inhibition of JAK1/JAK2 in human PBMC assessed as reduction in IL6-induced Stat3 phosphorylation in CD3- CD4+ cells preincubated for 30 mins followed by IL6 stimulation and measured after 15 mins
50011199	8	ChEMBL_1996125 (CHEMBL4630020)	Inhibition of JAK1/JAK2 in human A549 assessed as reduction in IL31-induced Stat3 phosphorylation preincubated for 30 mins followed by IL31 stimulation and measured after 15 mins
50011199	9	ChEMBL_1996126 (CHEMBL4630021)	Inhibition of JAK2/Tyk2 in human PBMC assessed as reduction in IL-23-induced Stat3 phosphorylation in CD3+CD4+ cells preincubated for 30 mins followed by IL-23 stimulation and measured after 15 mins
50011199	10	ChEMBL_1996127 (CHEMBL4630022)	Inhibition of JAK2 in human PBMC assessed as reduction in GM-CSF-induced Stat5 phosphorylation in CD3- CD4+ cells preincubated for 30 mins followed by GM-CSF stimulation and measured after 15 mins
50011199	11	ChEMBL_1996129 (CHEMBL4630024)	Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in INFalpha-induced Stat1 phosphorylation in CD3+CD4+ cells preincubated for 30 mins followed by INFalpha stimulation and measured after 15 mins
50011200	1	ChEMBL_1996166 (CHEMBL4630061)	Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand binding assay
50011200	2	ChEMBL_1996167 (CHEMBL4630062)	Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand binding assay
50011200	3	ChEMBL_1996168 (CHEMBL4630063)	Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand binding assay
50011200	4	ChEMBL_1996169 (CHEMBL4630064)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50011200	5	ChEMBL_1996171 (CHEMBL4630066)	Antagonist activity at human delta opioid receptor expressed in CHO cell membranes assessed as reduction in SNC80-induced [35S]GTPgammaS binding preincubated for 5 mins followed by SNC80 addition and measured after 1 hr
50011200	6	ChEMBL_1996173 (CHEMBL4630068)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50011202	1	ChEMBL_1996229 (CHEMBL4630124)	Positive allosteric modulation of recombinant rat GluN1a/GluN2C receptor expressed in Xenopus laevis oocytes assessed as increase in glycine/L-glutamate-induced channel current by two-electrode voltage clamp method
50011202	2	ChEMBL_1996230 (CHEMBL4630125)	Positive allosteric modulation of recombinant rat GluN1a/GluN2D receptor expressed in Xenopus laevis oocytes assessed as increase in glycine/L-glutamate-induced channel current by two-electrode voltage clamp method
50011206	1	ChEMBL_1996278 (CHEMBL4630173)	Inhibition of LSD1 in human MV4-11 cells assessed as induction of LY96 mRNA expression incubated for 16 hrs by chemiluminescent method
50011206	2	ChEMBL_1996279 (CHEMBL4630174)	Inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system using ART-K(Me1)-QTARKSTGGKAPRKQLAGGK(Biotin) as substrate incubated for 60 mins by TR-FRET assay
50011206	3	ChEMBL_1996276 (CHEMBL4630171)	Inhibition of LSD2 (unknown origin) by TR-FRET assay
50011206	4	ChEMBL_1996277 (CHEMBL4630172)	Inhibition of MAO-A (unknown origin)
50011206	5	ChEMBL_1996275 (CHEMBL4630170)	Inhibition of MAO-B (unknown origin)
50011206	6	ChEMBL_1996292 (CHEMBL4630187)	Time dependant inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system assessed as inhibitory constant using ART-K(Me1)-QTARKSTGGKAPRKQLAGGK(Biotin) as substrate incubated for 60 mins by TR-FRET assay
50011208	1	ChEMBL_1996312 (CHEMBL4630207)	Inhibition of recombinant human G6PDH expressed in Escherichia coli by fluorescence assay
50011209	1	ChEMBL_1996338 (CHEMBL4630233)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting
50011209	2	ChEMBL_1996339 (CHEMBL4630234)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting
50011209	3	ChEMBL_1996340 (CHEMBL4630235)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting
50011209	4	ChEMBL_1996341 (CHEMBL4630236)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta counting
50011213	1	ChEMBL_1996365 (CHEMBL4630260)	Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by liquid scintillation counting method
50011213	2	ChEMBL_1996380 (CHEMBL4630275)	Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by liquid scintillation counting method
50011216	1	ChEMBL_1996518 (CHEMBL4630413)	Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of TNFR1 binding to immobilized TNF-alpha pre-incubated with TNFR1 for 20 mins followed by TNFalpha addition and measured after 120 mins by ELISA
50011216	2	ChEMBL_1996517 (CHEMBL4630412)	Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as Kd for TNF-alpha-TNFR1 binding at 100 uM pe-incubated for 15 mins before TNFR1 addition and measured after 15 mins by MST assay (Rvb = 0.23 uM)
50011216	3	ChEMBL_1996516 (CHEMBL4630411)	Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as Kd for TNF-alpha-TNFR1 binding at 10 uM pe-incubated for 15 mins before TNFR1 addition and measured after 15 mins by MST assay (Rvb = 0.23 uM)
50011216	4	ChEMBL_1996514 (CHEMBL4630409)	Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by MST assay
50011218	1	ChEMBL_1996547 (CHEMBL4630442)	Antagonist activity at human CCR4 expressed in rat chem-5 cells assessed as inhibition of CCL22-induced calcium flux measured at 2.5 secs time interval for 45 secs by calcium 6 dye-based FLIPR assay
50011218	2	ChEMBL_1996546 (CHEMBL4630441)	Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 addition and measured after 60 mins in presence of 100% human serum by CellTiter-Glo assay
50011218	3	ChEMBL_1996552 (CHEMBL4630447)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50011218	4	ChEMBL_1996553 (CHEMBL4630448)	Inhibition of CYP2C9 in human liver microsomes using diclofenac sodium salt as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50011218	5	ChEMBL_1996554 (CHEMBL4630449)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50011218	6	ChEMBL_1996555 (CHEMBL4630450)	Inhibition of CYP2D6 in human liver microsomes using bufuralol hydrochloride salt as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50011218	7	ChEMBL_1996556 (CHEMBL4630451)	Inhibition of CYP3A4 in human liver microsomes using midazolam hydrochloride as substrate incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50011218	8	ChEMBL_1996558 (CHEMBL4630453)	Antagonist activity at CCR4 in human CCRF-CEM cells assessed as inhibition of CCL17-mediated chemotaxis preincubated for 30 mins followed by CCL17 addition and measured after 60 mins in presence of 100% human serum by CellTiter-Glo assay
50011218	9	ChEMBL_1996564 (CHEMBL4630459)	Antagonist activity at CCR4 in mouse Treg cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 addition and measured after 60 mins in presence of 100% mouse serum by CellTiter-Glo assay
50011218	10	ChEMBL_1996565 (CHEMBL4630460)	Antagonist activity at CCR4 in human Treg cells assessed as inhibition of CCL22-mediated chemotaxis preincubated for 30 mins followed by CCL22 addition and measured after 60 mins in presence of 100% human serum by CellTiter-Glo assay
50011220	1	ChEMBL_1996597 (CHEMBL4630492)	Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay
50011220	2	ChEMBL_1996598 (CHEMBL4630493)	Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay
50011220	3	ChEMBL_1996599 (CHEMBL4630494)	Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage site as substrate preincubated for 1 hr followed by substrate addition and measured for 60 mins by FRET assay
50011221	1	ChEMBL_1996605 (CHEMBL4630500)	Antagonist activity at ADRB2 endogenously expressed in HEK293 cells transfected with cAMP FRET biosensor assessed as inhibition of cimaterol-induced response pre-incubated for 45 mins under dark conditions by FRET assay
50011221	2	ChEMBL_1996606 (CHEMBL4630501)	Antagonist activity at ADRB2 endogenously expressed in HEK293 cells transfected with cAMP FRET biosensor assessed as inhibition of cimaterol-induced response pre-incubated for 45 mins under constant violet light conditions by FRET assay
50011222	1	ChEMBL_1996622 (CHEMBL4630517)	Activation of human FXR LBD expressed in HEK293T cells assessed as induction of receptor activation incubated for 12 to 14 hrs by luciferase reporter gene assay
50011222	2	ChEMBL_1996626 (CHEMBL4630521)	Activation of human PPAR-delta LBD expressed in HEK293T cells assessed as induction of receptor activation incubated for 12 to 14 hrs by luciferase reporter gene assay
50011224	1	ChEMBL_1996650 (CHEMBL4630545)	Modulation of gamma secretase in HEK293 cells transfected with human APP with Swedish and London familial AD mutation assessed as reduction in Abeta42 levels incubated for 5 hrs by sandwich immuno-assay
50011224	2	ChEMBL_1996654 (CHEMBL4630549)	Inhibition of MK499 binding to human ERG
50011224	3	ChEMBL_1996655 (CHEMBL4630550)	Inhibition of PXR (unknown origin)
50011224	4	ChEMBL_1996656 (CHEMBL4630551)	Inhibition of CYP3A4 (unknown origin)
50011224	5	ChEMBL_1996657 (CHEMBL4630552)	Inhibition of CYP2C9 (unknown origin)
50011224	6	ChEMBL_1996658 (CHEMBL4630553)	Inhibition of CYP2D6 (unknown origin)
50011255	3	ChEMBL_2013355 (CHEMBL4666933)	Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and measured after 15 mins by immunofluorescence assay
50011255	4	ChEMBL_2013357 (CHEMBL4666935)	Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic mobility shift assay
50011255	5	ChEMBL_2013360 (CHEMBL4666938)	Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate incubated for 60 mins by Adapta assay
50011256	1	ChEMBL_2013522 (CHEMBL4667100)	Inhibition of recombinant human His/GST-tagged RIPK1 (2 to 257 residues) expressed in insect expression system incubated for 2 hrs by fluorescence polarization assay
50011257	1	ChEMBL_2013745 (CHEMBL4667323)	Activation of human TREK2 by thallium flux mobilization assay
50011257	2	ChEMBL_2013746 (CHEMBL4667324)	Activation of human TREK1 by thallium flux mobilization assay
50011259	1	ChEMBL_2013776 (CHEMBL4667354)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition and measured after 1 hr by mobility shift assay
50011259	2	ChEMBL_2013777 (CHEMBL4667355)	Inhibition of PI3Kgamma (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPGloTM reagent based assay
50011259	3	ChEMBL_2013778 (CHEMBL4667356)	Inhibition of PI3Kdelta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPGloTM reagent based assay
50011259	4	ChEMBL_2013779 (CHEMBL4667357)	Inhibition of PI3Kbeta (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPGloTM reagent based assay
50011259	5	ChEMBL_2013780 (CHEMBL4667358)	Inhibition of PI3Kalpha (unknown origin) using lipid as substrate incubated for 15 mins followed by substrate addition and measured after 60 mins ADPGloTM reagent based assay
50011260	1	ChEMBL_2013835 (CHEMBL4667413)	Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL17A secretion after 72 hrs by ELISA
50011260	2	ChEMBL_2013838 (CHEMBL4667416)	Inverse agonist activity at pSG5GAL4-DBD/LBD fused human RORgamma receptor expressed in COS7 cells co-expressing 5 copies of GAL4 response element after 18 hrs by luciferase reporter gene based assay
50011263	1	ChEMBL_2013848 (CHEMBL4667426)	Positive allosteric modulation of human M4 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay
50011263	2	ChEMBL_2013850 (CHEMBL4667428)	Positive allosteric modulation of human M2 receptor/Gqi5 in presence of EC20 glutamate by calcium mobilization assay
50011263	3	ChEMBL_2013852 (CHEMBL4667430)	Positive allosteric modulation of human M1 receptor
50011263	4	ChEMBL_2013853 (CHEMBL4667431)	Positive allosteric modulation of human M3 receptor
50011263	5	ChEMBL_2013854 (CHEMBL4667432)	Positive allosteric modulation of human M5 receptor
50011263	6	ChEMBL_2013867 (CHEMBL4667445)	Positive allosteric modulation of rat M4 receptor
50011263	7	ChEMBL_2013873 (CHEMBL4667451)	Positive allosteric modulation of rat M1 receptor
50011263	8	ChEMBL_2013874 (CHEMBL4667452)	Positive allosteric modulation of rat M3 receptor
50011263	9	ChEMBL_2013875 (CHEMBL4667453)	Positive allosteric modulation of rat M5 receptor
50011263	10	ChEMBL_2013876 (CHEMBL4667454)	Inhibition of CYP3A4 (unknown origin)
50011263	11	ChEMBL_2013877 (CHEMBL4667455)	Inhibition of CYP2D6 (unknown origin)
50011263	12	ChEMBL_2013878 (CHEMBL4667456)	Inhibition of CYP2C9 (unknown origin)
50011263	13	ChEMBL_2013879 (CHEMBL4667457)	Inhibition of CYP1A2 (unknown origin)
50011265	1	ChEMBL_2013997 (CHEMBL4667575)	Inhibition of papaya papain assessed as reduction in p-nitoaniline release using Nalpha-benzoyl-L-arginine 4-nitroanilide hydrochloride as substrate measured after 1 hr
50011266	1	ChEMBL_2014076 (CHEMBL4667654)	Binding affinity to PPARgamma (unknown origin) by TR-FRET assay
50011266	2	ChEMBL_2014077 (CHEMBL4667655)	Binding affinity to PPARdelta (unknown origin) by TR-FRET assay
50011266	3	ChEMBL_2014078 (CHEMBL4667656)	Binding affinity to PPARalpha (unknown origin) by TR-FRET assay
50011268	1	ChEMBL_2014091 (CHEMBL4667669)	Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay
50011272	1	ChEMBL_2014126 (CHEMBL4667704)	Binding affinity to human wild type partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by KinomeScan method
50011272	2	ChEMBL_2014127 (CHEMBL4667705)	Binding affinity to human wild type partial length non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinomescan method
50011272	3	ChEMBL_2014128 (CHEMBL4667706)	Binding affinity to human wild type partial length phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinomescan method
50011272	4	ChEMBL_2014129 (CHEMBL4667707)	Binding affinity to human wild type partial length ACVR1 (C188 to C509 residues) expressed in bacterial expression system by Kinomescan method
50011272	5	ChEMBL_2014130 (CHEMBL4667708)	Binding affinity to human wild type full-length ADCK3 expressed in bacterial expression system by Kinomescan method
50011272	6	ChEMBL_2014131 (CHEMBL4667709)	Binding affinity to human wild type partial length BMPR1B (D178 to L502 residues) expressed in mammalian expression system by Kinomescan method
50011272	7	ChEMBL_2014132 (CHEMBL4667710)	Binding affinity to human wild type partial length EphA1 (V588 to I913 residues) expressed in bacterial expression system by Kinomescan method
50011272	8	ChEMBL_2014133 (CHEMBL4667711)	Binding affinity to human wild type partial length EphA8 (Q608 to C920 residues) expressed in bacterial expression system by Kinomescan method
50011272	9	ChEMBL_2014134 (CHEMBL4667712)	Binding affinity to human wild type partial length EphB6 (Q634 to P948 residues) expressed in mammalian expression system by Kinomescan method
50011272	10	ChEMBL_2014135 (CHEMBL4667713)	Binding affinity to human wild type partial length IRAK3 (V147 to E596 residues) expressed in bacterial expression system by Kinomescan method
50011272	11	ChEMBL_2014136 (CHEMBL4667714)	Binding affinity to wild-type human partial length LCK (R207 to P509 residues) expressed in bacterial expression system by Kinomescan method
50011272	12	ChEMBL_2014137 (CHEMBL4667715)	Binding affinity to human wild type partial length MEK5 (L98 to P448 residues) expressed in mammalian expression system by Kinomescan method
50011272	13	ChEMBL_2014138 (CHEMBL4667716)	Binding affinity to wild-type human full length NLK expressed in bacterial expression system by Kinomescan method
50011272	14	ChEMBL_2014139 (CHEMBL4667717)	Binding affinity to wild-type human partial length RIPK2 (M1 to K310 residues) expressed in bacterial expression system by Kinomescan method
50011272	15	ChEMBL_2014140 (CHEMBL4667718)	Binding affinity to wild-type human partial length TXK (L238 to W527 residues) expressed in bacterial expression system by Kinomescan method
50011272	16	ChEMBL_2014141 (CHEMBL4667719)	Inhibition of GAK (unknown origin) by in-cell pulse based assay
50011272	17	ChEMBL_2014142 (CHEMBL4667720)	Binding affinity to T7-tagged GAK (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr
50011272	18	ChEMBL_2014143 (CHEMBL4667721)	Binding affinity to T7-tagged EGFR (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr
50011272	19	ChEMBL_2014144 (CHEMBL4667722)	Binding affinity to T7-tagged Src (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr
50011272	20	ChEMBL_2014145 (CHEMBL4667723)	Binding affinity to GAK (unknown origin)
50011275	1	ChEMBL_2014156 (CHEMBL4667734)	Inhibition of GSK3beta (unknown origin) using PASVPPSPSLSRHSSPHQpSED as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by TR-FRET assay
50011275	2	ChEMBL_2014157 (CHEMBL4667735)	Inhibition of recombinant human N-terminal His-tagged Aurora A expressed in Sf21 cells using peptide substrate by TR-FRET assay
50011276	1	ChEMBL_2014318 (CHEMBL4667896)	Inhibition of human BACE1 (46 to 435 residues) expressed in baculovirus infected insect cells using Ac-C(PT14)EVNLDAEWK-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based assay
50011276	2	ChEMBL_2014319 (CHEMBL4667897)	Inhibition of human BACE2 (63 to 466 residues) expressed in baculovirus infected insect cells using Ac-C(PT14)EVNLDAEWK-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based assay
50011276	3	ChEMBL_2014320 (CHEMBL4667898)	Inhibition of human cathepsin D (1 to 412 residues) expressed in baculovirus infected insect cells using R-C(PT14)-KPILFFRLGWR-OH as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based assay
50011276	4	ChEMBL_2014321 (CHEMBL4667899)	Inhibition of human cathepsin E isoform 1 (19 to 401 residues) expressed in Escherichia coli using R-C(PT14)KPILFFRLGWR-OH as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based assay
50011276	5	ChEMBL_2014322 (CHEMBL4667900)	Inhibition of human renin (67 to 406 residues) expressed in CHO cells using KHPWHLVIHT-C(PT14)-K as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based assay
50011276	6	ChEMBL_2014323 (CHEMBL4667901)	Inhibition of human SPPL2a expressed in HEK293 cells cotransfected with Gal4 luciferase reporter plasmid and VP16-TNFalpha(1-76)-NTF incubated for 24 hrs by luciferase reporter gene assay based luminescence assay
50011276	7	ChEMBL_2014326 (CHEMBL4667904)	Inhibition of SPPL2a in Balb/c mouse A20 cells assessed as reduction in CD74/p8 NTF accumulation incubated for overnight by Western blot analysis
50011276	8	ChEMBL_2014327 (CHEMBL4667905)	Inhibition of gamma-secretase (unknown origin) expressed in HEK293 cells cotransfected with Notch1-VP16-GAL4 fusion and Gal4 luciferase reporter plasmid incubated for 24 hrs by luciferase reporter gene assay luminescence assay
50011276	9	ChEMBL_2014328 (CHEMBL4667906)	Inhibition of SPPL2a in human U2OS cells cotransfected with EGFP-labeled TNFalpha (1 to 76 residues)-NTF incubated for 24 hrs by Hoechst staining based Cellomics ArrayScan analysis
50011276	10	ChEMBL_2014329 (CHEMBL4667907)	Inhibition of mouse SPPL2a cotransfected with EGFP-NLP-fused TNFalpha (1 to 77 residues)-NTF incubated for 24 hrs by Hoechst staining based Cellomics ArrayScan analysis
50011276	11	ChEMBL_2014332 (CHEMBL4667910)	Inhibition of SPPL2b in human U2OS cells cotransfected with EGFP-labeled TNFalpha (1 to 76 residues)-NTF incubated for 24 hrs by Hoechst staining based Cellomics ArrayScan analysis
50011278	1	ChEMBL_2014364 (CHEMBL4667942)	Inhibition of recombinant human CYP2C19 expressed in baculovirus infected insect cells using s-mephenytoin as substrate incubated for 30 mins in presence of NADPH-regenerating system by fluorescence based assay
50011278	2	ChEMBL_2014366 (CHEMBL4667944)	Inhibition of recombinant human CYP2C9 expressed in baculovirus infected insect cells using tolbutamide as substrate incubated for 30 mins in presence of NADPH-regenerating system by fluorescence based assay
50011278	3	ChEMBL_2014367 (CHEMBL4667945)	Inhibition of recombinant human CYP2D6 expressed in baculovirus infected insect cells using dextromethorphan as substrate incubated for 30 mins in presence of NADPH-regenerating system by fluorescence based assay
50011278	4	ChEMBL_2014368 (CHEMBL4667946)	Inhibition of recombinant human CYP1A2 expressed in baculovirus infected insect cells using phenacetin as substrate incubated for 30 mins in presence of NADPH-regenerating system by fluorescence based assay
50011278	5	ChEMBL_2014369 (CHEMBL4667947)	Inhibition of recombinant human CYP3A4 expressed in baculovirus infected insect cells using midazolam as substrate incubated for 30 mins in presence of NADPH-regenerating system by fluorescence based assay
50011278	6	ChEMBL_2014372 (CHEMBL4667950)	Displacement of Tracer Red from human ERG incubated for 2 hrs by fluorescence polarization assay
50011279	1	ChEMBL_2014410 (CHEMBL4667988)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins without preincubation by fluorimetric analysis
50011279	2	ChEMBL_2014411 (CHEMBL4667989)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured at 12 sec interval for 5 mins by fluorimetric analysis
50011279	3	ChEMBL_2014412 (CHEMBL4667990)	Inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins without preincubation by fluorimetric analysis
50011279	4	ChEMBL_2014413 (CHEMBL4667991)	Inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition and measured at 12 sec interval for 5 mins by fluorimetric analysis
50011279	5	ChEMBL_2014434 (CHEMBL4668012)	Mixed inhibition of recombinant Trypanosoma brucei rhodesain expressed in Pichia pastoris by Lineweaver-Burk plot analysis
50011279	6	ChEMBL_2014435 (CHEMBL4668013)	Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis
50011282	1	ChEMBL_2014464 (CHEMBL4668042)	Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase in cAMP level incubated for 45 mins by cAMP HTRF assay
50011283	1	ChEMBL_2014472 (CHEMBL4668050)	Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay
50011283	2	ChEMBL_2014473 (CHEMBL4668051)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50011283	3	ChEMBL_2014474 (CHEMBL4668052)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50011283	4	ChEMBL_2014475 (CHEMBL4668053)	Mixed type inhibition of human erythrocytes AChE using varying levels of acetylthiocholine iodide substrate by Dixon plot analysis
50011284	1	ChEMBL_2014501 (CHEMBL4668079)	Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50011285	1	ChEMBL_2014664 (CHEMBL4668242)	Inhibition of BTK in human whole blood assessed as reduction in polyclonal anti-IgM antibody/human IL4-stimulated CD69 cell surface expression on B cells incubated for 16 hrs by FACS analysis
50011285	2	ChEMBL_2014665 (CHEMBL4668243)	Inhibition of EGF-induced EGFR phosphorylation in human A431 cells preincubated for 24 hrs followed by EGF stimulation and measured after 10 mins by HTRF based immunoassay
50011285	3	ChEMBL_2014666 (CHEMBL4668244)	Inhibition of BTK in vitamin D3 differentiated human THP1 cells assessed as inhibition of FCgammaR-induced IL8 production measured after 24 hrs by immunoblot analysis
50011285	4	ChEMBL_2014668 (CHEMBL4668246)	Inhibition of BMX (unknown origin)
50011285	5	ChEMBL_2014670 (CHEMBL4668248)	Inhibition of ERBB4 (unknown origin)
50011285	6	ChEMBL_2014672 (CHEMBL4668250)	Inhibition of EGFR (unknown origin)
50011285	7	ChEMBL_2014675 (CHEMBL4668253)	Inhibition of full length human unphosphorylated BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate incubated for 60 mins in presence of ATP at Km concentration
50011289	1	ChEMBL_2014679 (CHEMBL4668257)	Inhibition of mTORC2 in human A2058 cells assessed as reduction in PKB phosphorylation at S473 residue incubated for 1 hr by Western blot analysis
50011289	2	ChEMBL_2014680 (CHEMBL4668258)	Inhibition of mTORC1 in human A2058 cells assessed as reduction in ribosomal protein S6 phosphorylation at Ser235/236 residues incubated for 1 hr by Western blot analysis
50011289	3	ChEMBL_2014681 (CHEMBL4668259)	Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay
50011289	4	ChEMBL_2014682 (CHEMBL4668260)	Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in baculovirus expression system by TR-FRET assay
50011289	5	ChEMBL_2014685 (CHEMBL4668263)	Inhibition of CYP1A2 (unknown origin) by fluorescence assay
50011289	6	ChEMBL_2014686 (CHEMBL4668264)	Inhibition of CYP2C19 (unknown origin) by fluorescence assay
50011289	7	ChEMBL_2014687 (CHEMBL4668265)	Inhibition of CYP2D6 (unknown origin) by fluorescence assay
50011289	8	ChEMBL_2014688 (CHEMBL4668266)	Inhibition of CYP3A4 (unknown origin) by fluorescence assay
50011290	1	ChEMBL_2014729 (CHEMBL4668307)	Inhibition of jack bean urease assessed as reduction in ammonia production using urea as substrate incubated for 15 mins by indophenol method
50011291	1	ChEMBL_2014733 (CHEMBL4668311)	Binding affinity to EZH2 (unknown origin)
50011291	2	ChEMBL_2014734 (CHEMBL4668312)	Inhibition of human JAK1 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assay
50011291	3	ChEMBL_2014735 (CHEMBL4668313)	Inhibition of human JAK2 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assay
50011291	4	ChEMBL_2014736 (CHEMBL4668314)	Inhibition of human JAK3 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assay
50011291	5	ChEMBL_2014737 (CHEMBL4668315)	Inhibition of human TYK2 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assay
50011291	6	ChEMBL_2014740 (CHEMBL4668318)	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by LanthaScreen assay
50011291	7	ChEMBL_2014741 (CHEMBL4668319)	Inhibition of GST-LRRK2 (1326 to 2527 residues) G2019S mutant (unknown origin) expressed in HEK293 cells incubated for 15 mins by cerenkov counting method
50011291	8	ChEMBL_2014745 (CHEMBL4668323)	Binding affinity to XIAP-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance assay
50011291	9	ChEMBL_2014746 (CHEMBL4668324)	Binding affinity to c-IAP1-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance assay
50011291	10	ChEMBL_2014747 (CHEMBL4668325)	Inhibition of Aurora A (unknown origin)
50011291	11	ChEMBL_2014752 (CHEMBL4668330)	Inhibition of BCOR peptide binding to BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli BL21(DE3) cells preincubated for 30 mins followed by BCOR ULight peptide addition and measured after 240 mins by TR-FRET assay
50011291	12	ChEMBL_2014753 (CHEMBL4668331)	Inhibition of BCL6 BTB domain (5 to 129 residues) C8Q/C67R/C84N triple mutant (unknown origin) expressed in Escherichia coli BL21(DE3) cells using 5-TAMRA-RSEIISTAPSSWVVPG incubated for 1 hr by fluorescence polarization assay
50011291	13	ChEMBL_2014754 (CHEMBL4668332)	Inhibition of LRRK2 G2019S mutant (unknown origin)
50011291	14	ChEMBL_2014755 (CHEMBL4668333)	Inhibition of androgen receptor LBD domain (unknown origin)
50011291	15	ChEMBL_2014756 (CHEMBL4668334)	Inhibition of full length androgen receptor (unknown origin)
50011291	16	ChEMBL_2014757 (CHEMBL4668335)	Induction of androgen receptor degradation in human LNCaP cells
50011291	17	ChEMBL_2014758 (CHEMBL4668336)	Inhibition of androgen receptor AF1 domain (141 to 486 residues) (unknown origin) incubated for 30 mins by steady-state fluorescence emission spectroscopy
50011293	1	ChEMBL_2014761 (CHEMBL4668339)	Inhibition of BTK C481S (unknown origin)
50011293	2	ChEMBL_2014762 (CHEMBL4668340)	Inhibition of wild type BTK (unknown origin)
50011293	3	ChEMBL_2014769 (CHEMBL4668347)	Inhibition of BTK (unknown origin)
50011293	4	ChEMBL_2014772 (CHEMBL4668350)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50011293	5	ChEMBL_2014773 (CHEMBL4668351)	Inhibition of wild type human BTK C481S mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assay
50011293	6	ChEMBL_2014774 (CHEMBL4668352)	Inhibition of wild type human BTK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric assay
50011293	7	ChEMBL_2014777 (CHEMBL4668355)	Inhibition of EML4/ALK L1196M mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by CellTiter 96 AQueous One solution
50011293	8	ChEMBL_2014778 (CHEMBL4668356)	Inhibition of EML4/ALK G1202R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by CellTiter 96 AQueous One solution
50011293	9	ChEMBL_2014779 (CHEMBL4668357)	Inhibition of human ALK G1202R mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assay
50011293	10	ChEMBL_2014782 (CHEMBL4668360)	Inhibition of N-terminal His6-tagged TRKA G667C mutant (unknown origin) (486 to 786 residues) expressed in Escherichia coli using poly-EAY substrate incubated for 60 mins in presence of [gamma33P]ATP by liquid scintillation method
50011293	11	ChEMBL_2014783 (CHEMBL4668361)	Inhibition of N-terminal His6-tagged TRKA G595R mutant (unknown origin) (486 to 786 residues) expressed in Escherichia coli using poly-EAY substrate incubated for 60 mins in presence of [gamma33P]ATP by liquid scintillation method
50011293	12	ChEMBL_2014784 (CHEMBL4668362)	Inhibition of human ALK L1196M mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assay
50011293	13	ChEMBL_2014785 (CHEMBL4668363)	Inhibition of N-terminal His6-tagged TRKA (unknown origin) (486 to 786 residues) expressed in Escherichia coli using poly-EAY substrate incubated for 60 mins in presence of [gamma33P]ATP by liquid scintillation method
50011293	14	ChEMBL_2014788 (CHEMBL4668366)	Inhibition of EML4/ALK G1202R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by Cell Titer Glo assay
50011293	15	ChEMBL_2014789 (CHEMBL4668367)	Inhibition of wild type human ABL H396P mutant using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	16	ChEMBL_2014790 (CHEMBL4668368)	Inhibition of wild type human ABL M351T mutant using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	17	ChEMBL_2014791 (CHEMBL4668369)	Inhibition of wild type human ABL Y253F mutant using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	18	ChEMBL_2014792 (CHEMBL4668370)	Inhibition of wild type human ABL Q252H mutant using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	19	ChEMBL_2014793 (CHEMBL4668371)	Inhibition of wild type human ABL T315I mutant using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	20	ChEMBL_2014794 (CHEMBL4668372)	Inhibition of wild type human ABL using [EAIYAAPFAKKK] as substrate in presence of gamma33P-ATP by radiometric HotSpot assay
50011293	21	ChEMBL_2014795 (CHEMBL4668373)	Inhibition of BCR-ABL T315I mutant (unknown origin)
50011295	1	ChEMBL_2014864 (CHEMBL4668442)	Inhibition of recombinant human MMP2 expressed in human HeLaS3 cells using MOCAcPLGLA2pr(Dnp)-AR-NH2 as substrate incubated for 15 to 30 mins by fluorescence method
50011295	2	ChEMBL_2014865 (CHEMBL4668443)	Inhibition of recombinant human MMP9 expressed in human HeLaS3 cells using MOCAcPLGLA2pr(Dnp)-AR-NH2 as substrate incubated for 15 to 30 mins by fluorescence method
50011295	3	ChEMBL_2014866 (CHEMBL4668444)	Inhibition of recombinant human MMP12 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by spectrophotometric method
50011295	4	ChEMBL_2014867 (CHEMBL4668445)	Inhibition of MMP2 (unknown origin) using 3163v as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorometric method
50011295	5	ChEMBL_2014868 (CHEMBL4668446)	Inhibition of human MT1-MMP using 3163v as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorometric method
50011295	6	ChEMBL_2014869 (CHEMBL4668447)	Inhibition of MMP3 (unknown origin) using 3168v as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorometric method
50011295	7	ChEMBL_2014870 (CHEMBL4668448)	Inhibition of human MMP7 using 3163v as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorometric method
50011295	8	ChEMBL_2014871 (CHEMBL4668449)	Inhibition of human MMP9 using 3163v as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorometric method
50011295	9	ChEMBL_2014872 (CHEMBL4668450)	Inhibition of human MMP2 measured at 5 mins interval for 1 hr by fluorescence method
50011295	10	ChEMBL_2014873 (CHEMBL4668451)	Inhibition of human MMP9 measured at 5 mins interval for 1 hr by fluorescence method
50011295	11	ChEMBL_2014874 (CHEMBL4668452)	Binding affinity to MMP9 (unknown origin) by fluorescence spectroscopy
50011295	12	ChEMBL_2014875 (CHEMBL4668453)	Inhibition of MT1-MMP catalytic domain (unknown origin) expressed in Escherichia coli using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-[2,4-dinitrophenyl]-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate incubated for 30 mins by fluorescence method
50011295	13	ChEMBL_2014876 (CHEMBL4668454)	Inhibition of human proMMP9 expressed in African green monkey COS-1 cells assessed as reduction in protein activation incubated for 30 mins prior to catMMP-3 addition for 30 mins and subsequent DQ gelatin addition and measured after 10 mins by fluorescence method
50011295	14	ChEMBL_2014877 (CHEMBL4668455)	Binding affinity to C-terminal 8-His tagged human MMP-9 hemopexin-like domain (Ala20 to Asp707 residues) expressed in 293E cells by fluorescence spectroscopy
50011296	1	ChEMBL_2014878 (CHEMBL4668456)	Allosteric inhibition of PTP1B (1 to 405 residues) (unknown origin) expressed in Escherichia coli BL21 cells using DiFMUP as substrate by dixon plot analysis
50011296	2	ChEMBL_2014881 (CHEMBL4668459)	Allosteric inhibition of human Wip1 (2 to 420 residues) expressed in baculovirus infected sf9 cells using FDP as substrate by fluorescence method
50011296	3	ChEMBL_2014883 (CHEMBL4668461)	Inhibition of SHP2 PTP domain (unknown origin)
50011296	4	ChEMBL_2014885 (CHEMBL4668463)	Allosteric inhibition of IRS1_pY1172(dPEG8)pY1222 activated-human full length SHP2 (Met1 to Leu525 residues) expressed in Escherichia coli BL21 Star (DE3) cells using DiFMUP as substrate preincubated for 30 to 60 mins followed by substrate addition and measured after 30 mins by fluorescence method
50011296	5	ChEMBL_2014886 (CHEMBL4668464)	Allosteric inhibition of full length N-terminal His6-tagged human SHP2 (2 to 593 residues) expressed in Escherichia coli using DiFMUP as substrate in presence of activating peptide preincubated for 60 mins followed by substrate addition amd measured after 30 mins by fluorescence method
50011296	6	ChEMBL_2014887 (CHEMBL4668465)	Allosteric inhibition of full-length His6-tagged human SHP2 (2 to 527 residues) expressed in Escherichia coli using DiFMUP as substrate in presence of activating peptide (LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQK-amide) by fluorescence method
50011296	7	ChEMBL_2014888 (CHEMBL4668466)	Inhibition of human SHP2 E76K mutant expressed in Escherichia coli using DiFMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence method
50011296	8	ChEMBL_2014889 (CHEMBL4668467)	Allosteric inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins in presence of activating peptide IRS-1 followed by substrate addition and measured after 60 mins by fluorescence method
50011296	9	ChEMBL_2014890 (CHEMBL4668468)	Allosteric inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 mins in presence of activating peptide [IRSl_pY1172(dPEG8)pY1222] followed by substrate addition and measured over 30 mins by fluorescence method
50011296	10	ChEMBL_2014892 (CHEMBL4668470)	Allosteric inhibition of SHP2 in human PC9 cells assessed as reduction in oncogenic EGFR exon19del-driven ERK1/ERK2 phosphorylation at Thr202/Tyr204 residue incubated for 1 hr by AlphaLISA assay
50011296	11	ChEMBL_2014893 (CHEMBL4668471)	Allosteric inhibition of [IRSl_pY1172(dPEG8)pY1222] peptide-activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 to 60 mins followed by substrate addition and measured for 10 mins by fluorescence method
50011296	12	ChEMBL_2014894 (CHEMBL4668472)	Inhibition of His6-fused human PTP1B expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 followed by substrate addition and by fluorescence method
50011296	13	ChEMBL_2014895 (CHEMBL4668473)	Inhibition of His6-fused human SHP1 catalytic domain expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 followed by substrate addition and by fluorescence method
50011296	14	ChEMBL_2014896 (CHEMBL4668474)	Inhibition of His6-fused human full length SHP1 expressed in Escherichia coli cells using DiFMUP as substrate preincubated for 30 mins followed by substrate addition and by fluorescence method
50011296	15	ChEMBL_2014897 (CHEMBL4668475)	Allosteric inhibition of [H2N-LN(pY)AQLWHA(PEG8)LTI(pY)ATIRRF-amide]-activated N-terminal His6-fused human full length SHP2 (Met 1 to Arg 593 residues) expressed in Escherichia coli BL21 (DE3) cells using DiFMUP as substrate preincubated for 30 followed by substrate addition and by fluorescence method
50011296	16	ChEMBL_2014898 (CHEMBL4668476)	Allosteric inhibition of dPEG8 peptide-activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 followed by substrate addition and measured after 30 mins by fluorescence method
50011296	17	ChEMBL_2014899 (CHEMBL4668477)	Allosteric inhibition of PTP1B (unknown origin) using pNPP as substrate
50011296	18	ChEMBL_2014900 (CHEMBL4668478)	Allosteric inhibition of activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 to 60 mins followed by substrate addition by fluorescence method
50011296	19	ChEMBL_2014901 (CHEMBL4668479)	Allosteric inhibition of [IRSl_pY1172(dPEG8)pY1222] peptide-activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 to 60 mins followed by substrate addition and measured after 30 mins by fluorescence method
50011296	20	ChEMBL_2014902 (CHEMBL4668480)	Binding affinity to full length SHP2 E76K mutant (unknown origin) expressed in Escherichia coli BL21(DE3) competent cells by isothermal titration calorimetry
50011296	21	ChEMBL_2014903 (CHEMBL4668481)	Binding affinity to N-terminal His tagged TEV-cleavage site fused human full length wild type SHP2 (1 to 529 residues) expressed in Escherichia coli BL21(DE3) competent cells by isothermal titration calorimetry
50011296	22	ChEMBL_2014904 (CHEMBL4668482)	Inhibition of His-tagged human PTP1B PTP domain expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition
50011296	23	ChEMBL_2014905 (CHEMBL4668483)	Inhibition of His-tagged human SHP2 PTP domain expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition
50011296	24	ChEMBL_2014906 (CHEMBL4668484)	Inhibition of His-tagged human SHP1 PTP domain expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition
50011296	25	ChEMBL_2014907 (CHEMBL4668485)	Inhibition of SHP2 E76K mutant in splenocytes derived from JMML patient assessed as reduction in cell proliferation in presence of GM-CSF
50011296	26	ChEMBL_2014908 (CHEMBL4668486)	Inhibition of SHP2 E76K mutant in splenocytes derived from JMML patient assessed as reduction in GM-CSF induced colony formation of myeloid blast cells measured after 14 days
50011296	27	ChEMBL_2014909 (CHEMBL4668487)	Inhibition of GST-fused SHP1 (unknown origin) using Thr-Arg-Asp-Ile-Tyr[PO3H2]-Glu-Thr- Asp-Tyr-Tyr as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Malachite Green reagent based assay
50011296	28	ChEMBL_2014910 (CHEMBL4668488)	Inhibition of GST-fused SHP2 (unknown origin) using Thr-Arg-Asp-Ile-Tyr[PO3H2]-Glu-Thr- Asp-Tyr-Tyr as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by Malachite Green reagent based assay
50011296	29	ChEMBL_2014912 (CHEMBL4668490)	Inhibition of PTP1B (unknown origin) using 6,8-difluoro-4-methylum-belliferylphosphate as substrate preincubated for 1 hr followed by substrate by fluorescence method
50011296	30	ChEMBL_2014913 (CHEMBL4668491)	Inhibition of N-terminal His6-tagged TEV cleavage site-fused human SHP2 catalytic domain (248 to 527 residues) expressed in Escherichia coli Rosetta(DE3) using 6,8-difluoro-4-methylum-belliferylphosphate as substrate preincubated for 1 hr followed by substrate addition by fluorescence method
50011296	31	ChEMBL_2014914 (CHEMBL4668492)	Inhibition of SHP1 (unknown origin) using 6,8-difluoro-4-methylum-belliferylphosphate as substrate preincubated for 1 hr followed by substrate by fluorescence method
50011296	32	ChEMBL_2014915 (CHEMBL4668493)	Inhibition of N-terminal His6-tagged TEV cleavage site-fused human SHP1 (222 to 535 residues) expressed in Escherichia coli BL21(DE3)RILcodon+ or BL21(DE3)RPcodon+ using 4-nitrophenylphosphate as substrate
50011296	33	ChEMBL_2014916 (CHEMBL4668494)	Inhibition of N-terminal His6-tagged TEV cleavage site-fused human SHP2 (225 to 541 residues) expressed in Escherichia coli BL21(DE3)RILcodon+ or BL21(DE3)RPcodon+ using 4-nitrophenylphosphate as substrate
50011296	34	ChEMBL_2014917 (CHEMBL4668495)	Inhibition of N-terminal His6-tagged TEV cleavage site-fused human PTP1B (2 to 297 residues) expressed in Escherichia coli BL21(DE3)RILcodon+ or BL21(DE3)RPcodon+ using 4-nitrophenylphosphate as substrate
50011296	35	ChEMBL_2014918 (CHEMBL4668496)	Inhibition of human SHP2 catalytic domain (205 to 593 residues) expressed in Escherichia coli DH5alpha using 6,8-difluoro-4-methylumbelliferyl phosphate as substrate incubated for 30 mins by fluorescence method
50011296	36	ChEMBL_2014919 (CHEMBL4668497)	Inhibition of human SHP1 catalytic domain (205 to 597 residues) expressed in Escherichia coli DH5alpha using 6,8-difluoro-4-methylumbelliferyl phosphate as substrate incubated for 30 mins by fluorescence method
50011296	37	ChEMBL_2014920 (CHEMBL4668498)	Inhibition of recombinant PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate by spectrophotometric analysis
50011296	38	ChEMBL_2014921 (CHEMBL4668499)	Inhibition of recombinant His6-fused SHP2 catalytic domain (unknown origin) using p-nitrophenyl phosphate as substrate by spectrophotometric analysis
50011296	39	ChEMBL_2014922 (CHEMBL4668500)	Inhibition of recombinant His6-fused SHP1 catalytic domain (unknown origin) using p-nitrophenyl phosphate as substrate by spectrophotometric analysis
50011296	40	ChEMBL_2014923 (CHEMBL4668501)	Inhibition of SHP2 catalytic domain (unknown origin) using p-nitrophenyl phosphate as substrate incubated for 10 to 15 mins
50011297	1	ChEMBL_2014924 (CHEMBL4668502)	Displacement of [3H]-R1881 from androgen receptor (unknown origin) expressed in human HeLa cells harboring AR3A-PSA-(ARE)4-Luc13 incubated for 2 hrs by scintillation counting
50011297	2	ChEMBL_2014925 (CHEMBL4668503)	Inhibition of human AKR1C3 using 4-AD as substrate in presence of NADPH
50011297	3	ChEMBL_2014926 (CHEMBL4668504)	Inhibition of human AKR1C4 using S-tetralol as substrate in presence of NADP by fluorescence method
50011297	4	ChEMBL_2014927 (CHEMBL4668505)	Inhibition of human AKR1C2 using S-tetralol as substrate in presence of NADP by fluorescence method
50011297	5	ChEMBL_2014928 (CHEMBL4668506)	Inhibition of human AKR1C3 using S-tetralol as substrate in presence of NADP by fluorescence method
50011297	6	ChEMBL_2014929 (CHEMBL4668507)	Inhibition of human AKR1C1 using S-tetralol as substrate in presence of NADP by fluorescence method
50011297	7	ChEMBL_2014930 (CHEMBL4668508)	Antagonist activity at androgen receptor (unknown origin) expressed in human HeLa cells harboring AR3A-PSA-(ARE)4-Luc13 in presence of DHT by BrightGlo luciferase assay
50011297	8	ChEMBL_2014933 (CHEMBL4668511)	Inhibition of human COX-2 expressed in Sf9 insect cells using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured after 30 sec by thin layer chromatography assay
50011297	9	ChEMBL_2014934 (CHEMBL4668512)	Inhibition of ovine COX-1 using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured after 30 sec by thin layer chromatography assay
50011297	10	ChEMBL_2014935 (CHEMBL4668513)	Inhibition of AKR1C3 (unknown origin) using 4-androstene-3,17-dione as substrate
50011297	11	ChEMBL_2014937 (CHEMBL4668515)	Inhibition of AKR1C2 (unknown origin) using 9,10-phenanthrenequinone as substrate
50011297	12	ChEMBL_2014938 (CHEMBL4668516)	Inhibition of AKR1C1 (unknown origin) using 9,10-phenanthrenequinone as substrate
50011297	13	ChEMBL_2014939 (CHEMBL4668517)	Inhibition of AKR1C3 (unknown origin) using 9,10-phenanthrenequinone as substrate
50011297	14	ChEMBL_2014940 (CHEMBL4668518)	Inhibition of N-terminal His-tagged human AKR1C3 (1 to 323 residues) expressed in Escherichia coli using 4-adione as substrate in presence of NADPH by fluorescence method
50011297	15	ChEMBL_2014941 (CHEMBL4668519)	Inhibition of human AKR1C3 expressed in Escherichia coli preincubated for 15 mins followed by Adion addition and measured after 30 mins by HPLC analysis
50011297	16	ChEMBL_2014945 (CHEMBL4668523)	Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using 9,10-phenanthrenequinone as substrate
50011297	17	ChEMBL_2014946 (CHEMBL4668524)	Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using S-tetralol as substrate
50011297	18	ChEMBL_2014947 (CHEMBL4668525)	Inhibition of N-terminal His-tagged human AKR1C3 expressed in Escherichia coli BL21(Condon Plus) competent cells using 9,10-phenanthrenequinone as substrate in presence of NADPH
50011297	19	ChEMBL_2014948 (CHEMBL4668526)	Inhibition of N-terminal His-tagged human AKR1C2 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10-phenanthrenequinone as substrate in presence of NADPH
50011297	20	ChEMBL_2014949 (CHEMBL4668527)	Inhibition of N-terminal His-tagged human AKR1C1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10-phenanthrenequinone as substrate in presence of NADPH
50011297	21	ChEMBL_2014950 (CHEMBL4668528)	Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells incubated for 2 to 4 hrs by UHPLC analysis
50011297	22	ChEMBL_2014951 (CHEMBL4668529)	Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC method based Lineweaver-Burk double-reciprocal plot analysis
50011297	23	ChEMBL_2014952 (CHEMBL4668530)	Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells incubated for 3 to 6 hrs by UHPLC analysis
50011297	24	ChEMBL_2014953 (CHEMBL4668531)	Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysis
50011297	25	ChEMBL_2014954 (CHEMBL4668532)	Inhibition of N-terminal His-tagged human AKR1A1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using D,L-glyceraldehyde as substrate in presence of NADPH by fluorescence method
50011297	26	ChEMBL_2014955 (CHEMBL4668533)	Inhibition of N-terminal His-tagged human AKR1B10 expressed in Escherichia coli BL21 (Condon Plus) competent cells using pyridine-3-aldehydenone as substrate in presence of NADPH by fluorescence method
50011297	27	ChEMBL_2014956 (CHEMBL4668534)	Inhibition of N-terminal His-tagged human AKR1B1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using D,L-glyceraldehyde as substrate in presence of NADPH by fluorescence method
50011297	28	ChEMBL_2014957 (CHEMBL4668535)	Inhibition of N-terminal His-tagged human AKR1C4 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as substrate in presence of NADPH by fluorescence method
50011297	29	ChEMBL_2014958 (CHEMBL4668536)	Inhibition of N-terminal His-tagged human AKR1C3 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as substrate in presence of NADPH by fluorescence method
50011297	30	ChEMBL_2014959 (CHEMBL4668537)	Inhibition of N-terminal His-tagged human AKR1C1 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as substrate in presence of NADPH by fluorescence method
50011297	31	ChEMBL_2014960 (CHEMBL4668538)	Inhibition of N-terminal His-tagged human AKR1C2 expressed in Escherichia coli BL21 (Condon Plus) competent cells using 9,10 -Phenanthrenequinone as substrate in presence of NADPH by fluorescence method
50011299	1	ChEMBL_2014993 (CHEMBL4668571)	Inhibition of C5 complement protein in 2% human serum incubated for 15 mins
50011299	2	ChEMBL_2014995 (CHEMBL4668573)	Inhibition of CFD in human RBC model of anti-CD55/anti-CD59-induced paroxysmal nocturnal hemoglobinuria assessed as reduction in complement fragment C3 deposition by FACS analysis
50011299	3	ChEMBL_2014996 (CHEMBL4668574)	Inhibition of CFD in 10% human serum assessed as reduction in alternate complement pathway-mediated hemolysis incubated for 1 hr
50011299	4	ChEMBL_2014998 (CHEMBL4668576)	Binding affinity to 15N-labeled human CFD by 1H-15N-HSQC NMR analysis
50011299	5	ChEMBL_2014999 (CHEMBL4668577)	Inhibition of recombinant human CFD catalytic domain (G24 to A253 residues) expressed in Escherichia coli (Rosetta) using Z-Lys-thiobenzyl and 2,4-dinitrobenzenesulfonyl-2,7-desmethyl-fluorecein as substrate preincubated for 1 hr followed by substrate addition by spectrofluorimetric method
50011299	6	ChEMBL_2015001 (CHEMBL4668579)	Inhibition of LPS/IFN-gamma induced NO-dependent iNOS activity in mouse RAW 264.7 cells incubated for 16 hrs by Griess reagent based assay
50011299	7	ChEMBL_2015002 (CHEMBL4668580)	Binding affinity to human CFD at 100 uM by WaterLOGSY NMR analysis
50011299	8	ChEMBL_2015003 (CHEMBL4668581)	Binding affinity to A1 receptor (unknown origin)
50011299	9	ChEMBL_2015009 (CHEMBL4668587)	Inhibition of human ROCK2 expressed in baculovirus expression system by Kinase-Glo luminescent Assay
50011299	10	ChEMBL_2015010 (CHEMBL4668588)	Inhibition of human ROCK1 expressed in baculovirus expression system by Kinase-Glo luminescent Assay
50011299	11	ChEMBL_2015011 (CHEMBL4668589)	Inhibition of human ROCK2 by Kinase-Glo luminescent assay
50011299	12	ChEMBL_2015012 (CHEMBL4668590)	Inhibition of ROCK2 (unknown origin) using histone as substrate incubated for 20 mins in presence of [gamma32P]-ATP by liquid scintillation counter method
50011299	13	ChEMBL_2015013 (CHEMBL4668591)	Inhibition of N-terminal GST-fused human ROCK2 catalytic domain ( 1 to 553 residues) expressed in baculovirus expression system using Long S6 Kinase as substrate incubated for 90 mins by Kinase-Glo luminescent assay
50011299	14	ChEMBL_2015014 (CHEMBL4668592)	Inhibition of N-terminal GST-fused human ROCK1 catalytic domain ( 1 to 477 residues) expressed in baculovirus expression system using Long S6 Kinase as substrate incubated for 90 mins by Kinase-Glo luminescent assay
50011299	15	ChEMBL_2015015 (CHEMBL4668593)	Inhibition of ROCK2 (unknown origin)
50011299	16	ChEMBL_2015016 (CHEMBL4668594)	Inhibition of ROCK1 (unknown origin)
50011299	17	ChEMBL_2015017 (CHEMBL4668595)	Inhibition of CFD in 50% human whole blood assessed as reduction in alternate complement pathway-mediated MAC formation pre-incubated for 15 mins followed by zymosan suspension addition and measured after 40 mins by ELISA
50011299	18	ChEMBL_2015019 (CHEMBL4668597)	Binding affinity to A3 receptor (unknown origin)
50011301	1	ChEMBL_2015021 (CHEMBL4668599)	Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection method
50011303	1	ChEMBL_2015028 (CHEMBL4668606)	Light-dependent inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 insect cells preincubated for 1 hr in presence of LED light irradiation followed by substrate addition and measured for 30 mins by fluorescence method
50011309	1	ChEMBL_2015032 (CHEMBL4668610)	Binding affinity to human MMP3 catalytic domain (81 to 256 residues) expressed in Escherichia coli BL21 (DE3) pLysS by 15N-HSQC-NMR spectroscopy
50011309	2	ChEMBL_2015033 (CHEMBL4668611)	Inhibition of MMP3 (unknown origin) using Ac-Pro-Leu-Gly-[2-mercapto-4-methyl-pentanoyl]-Leu-Gly-OEt as substrate incubated for 30 mins
50011309	3	ChEMBL_2015034 (CHEMBL4668612)	Binding affinity to N-terminal human HSP90 (D9 to E236 residues) expressed in Escherichia coli BL21(DE3) by 1H-13C HSQC-NMR spectroscopy
50011309	4	ChEMBL_2015035 (CHEMBL4668613)	Displacement of biotin-labelled geldanamycin from human HSP90 (D9 to E236 residues) incubated for 3 hrs by FRET assay
50011309	5	ChEMBL_2015036 (CHEMBL4668614)	Inhibition of human HSP90 (D9 to E236 residues) by fluorescence spectroscopy
50011309	6	ChEMBL_2015037 (CHEMBL4668615)	Binding affinity to N-terminal GST-fused human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21(DE3) by HSQC NMR analysis
50011309	7	ChEMBL_2015038 (CHEMBL4668616)	Inhibition of PTP1B (unknown origin) using pNPP as substrate measured every 30 secs for 15 mins by Michaelis-Menten plot analysis
50011309	8	ChEMBL_2015041 (CHEMBL4668619)	Inhibition of recombinant human caspase 3 using Ac-Asp-Glu-Val-Asp-AFC as substrate preincubated for 30 mins followed by substrate addition and measured over 15 mins by fluorometric assay
50011309	9	ChEMBL_2015043 (CHEMBL4668621)	Inhibition of HSP90 (unknown origin) by confocal fluorescence-based biochemical assay
50011309	10	ChEMBL_2015044 (CHEMBL4668622)	Inhibition of N-terminal HSP90A (unknown origin) incubated for 60 mins by TAMRA fluorescence-based assay
50011309	11	ChEMBL_2015045 (CHEMBL4668623)	Inhibition of CDK2/Cyclin A (unknown origin) using histone H1 as substrate by scintillation counting method
50011309	12	ChEMBL_2015047 (CHEMBL4668625)	Inhibition of c-Src (unknown origin) using biotin-KVEKIGEGTYGVVYK as substrate by ELISA
50011309	13	ChEMBL_2015049 (CHEMBL4668627)	Inhibition of C-terminal His6-tagged CypA (unknown origin) expressed in Escherichia coli C41(DE3) using Suc-Ala-Ala-Cis-Pro-Phe-pNA as substrate by spectrophotometric analysis
50011309	14	ChEMBL_2015050 (CHEMBL4668628)	Inhibition of C-terminal His6-tagged CypB (unknown origin) expressed in Escherichia coli C41(DE3) using Suc-Ala-Ala-Cis-Pro-Phe-pNA as substrate by spectrophotometric analysis
50011309	15	ChEMBL_2015052 (CHEMBL4668630)	Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubated for 5 mins by Dixon plot analysis
50011309	16	ChEMBL_2015053 (CHEMBL4668631)	Inhibition of human factor 10a using Boc-Leu-Gly-Arg-AMC as fluorogenic substrate measured after 10 mins by spectrofluorimetry
50011309	17	ChEMBL_2015054 (CHEMBL4668632)	Binding affinity to mouse ACHE by fluorescence method
50011309	18	ChEMBL_2015055 (CHEMBL4668633)	Binding affinity to Torpedo californica acetylcholinesterase by fluorescence method
50011309	19	ChEMBL_2015056 (CHEMBL4668634)	Inhibition of HDAC8 (unknown origin) using acetylated lysine as substrate incubated for 20 mins by Lineweaver-Burk double-reciprocal plot analysis
50011309	20	ChEMBL_2015057 (CHEMBL4668635)	Inhibition of Serratia marcescens chitinase B
50011309	21	ChEMBL_2015058 (CHEMBL4668636)	Inhibition of FITC-labeled Bak BH3 peptide binding to His6-tagged GST-fused Bcl-xL (unknown origin) expressed in Escherichia coli BL21 preincubated for 10 mins followed by Bak BH3 peptide addition and measured after 30 mins by fluorescence polarization-based competitive binding assay
50011309	22	ChEMBL_2015059 (CHEMBL4668637)	Inhibition of human NMT1 by fluorescence method
50011309	23	ChEMBL_2015060 (CHEMBL4668638)	Inhibition of rat brain Acetylcholinesterase using acetylthiocholine as substrate in presence of BChE inhibitor ethopropazine
50011309	24	ChEMBL_2015063 (CHEMBL4668641)	Inhibition of BCL2 (unknown origin) by TR-FRET assay
50011309	25	ChEMBL_2015065 (CHEMBL4668643)	Inhibition of Endothia parasitica endothiapepsin using Abz-Thr-Ile-Nle-p-nitro-Phe-Gln-Arg-NH2 as substrate by fluorescence method
50011310	1	ChEMBL_2015097 (CHEMBL4668675)	Inhibition of NLRP3 in mouse J774A.1 cells assessed as inhibition of LPS and nigerecin-induced IL-1beta production pre-stimulated with LPS for 5 hrs followed by compound treatment for 30 mins and then nigericin addition for 45 mins by ELISA
50011311	1	ChEMBL_2015107 (CHEMBL4668685)	Inhibition of human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by PiColorLock gold reagent based colorimetric assay
50011311	2	ChEMBL_2015109 (CHEMBL4668687)	Inhibition of soluble human CD73
50011311	3	ChEMBL_2015110 (CHEMBL4668688)	Inhibition of CD73 in human CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2.5 hrs by PiColorLock gold reagent based colorimetric assay
50011311	4	ChEMBL_2015111 (CHEMBL4668689)	Inhibition of CD73 in mouse CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2.5 hrs by PiColorLock gold reagent based colorimetric assay
50011311	5	ChEMBL_2015112 (CHEMBL4668690)	Inhibition of CD73 in human PBMC using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2.5 hrs by PiColorLock gold reagent based colorimetric assay
50011311	6	ChEMBL_2015113 (CHEMBL4668691)	Inhibition of CD39 (unknown origin)
50011311	7	ChEMBL_2015114 (CHEMBL4668692)	Inhibition of NTPDase 2 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by PiColorLock gold reagent based colorimetric assay
50011311	8	ChEMBL_2015115 (CHEMBL4668693)	Inhibition of NTPDase 3 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by PiColorLock gold reagent based colorimetric assay
50011311	9	ChEMBL_2015116 (CHEMBL4668694)	Inhibition of NTPDase 8 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measured after 50 mins by PiColorLock gold reagent based colorimetric assay
50011311	10	ChEMBL_2015117 (CHEMBL4668695)	Competitive reversible inhibition of human C-terminal His6-tagged CD73 expressed in HEK293 cells using AMP as substrate preincubated with substrate for 10 mins followed by enzyme addition and measured after 90 mins by PiColorLock gold reagent based colorimetric assay
50011311	11	ChEMBL_2015143 (CHEMBL4668721)	Inhibition of human ERG
50011311	12	ChEMBL_2015157 (CHEMBL4668735)	Inhibition of human CD73 using AMP as substrate by Malachite green phosphate reagent-based assay
50011311	13	ChEMBL_2015158 (CHEMBL4668736)	Inhibition of human CD73
50011312	1	ChEMBL_2015222 (CHEMBL4668800)	Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes after 90 mins
50011312	2	ChEMBL_2015223 (CHEMBL4668801)	Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes after 90 mins
50011313	1	ChEMBL_2015298 (CHEMBL4668876)	Inhibition of human ERG by manual patch clamp assay
50011314	1	ChEMBL_2015356 (CHEMBL4668934)	Binding affinity to N-terminal His-tagged BRD4 BD2 (unknown origin) by isothermal calorimetric titration assay
50011314	2	ChEMBL_2015357 (CHEMBL4668935)	Binding affinity to N-terminal His-tagged BRD4 BD1 (unknown origin) by isothermal calorimetric titration assay
50011314	3	ChEMBL_2015358 (CHEMBL4668936)	Metabolism-dependent inhibition of CYP3A4 (unknown origin)
50011314	4	ChEMBL_2015362 (CHEMBL4668940)	Displacement of Alexa Fluor 647 labelled ligand from 6His-FLAG-Tev-tagged BRDT BD1/BD2 Y309A (1 to 397 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	5	ChEMBL_2015363 (CHEMBL4668941)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRDT BD2/BD1 Y66A mutant (1 to 397 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	6	ChEMBL_2015364 (CHEMBL4668942)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD1/BD2 Y348A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	7	ChEMBL_2015365 (CHEMBL4668943)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD2/BD1 Y73A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	8	ChEMBL_2015366 (CHEMBL4668944)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD2/BD1 Y113A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	9	ChEMBL_2015367 (CHEMBL4668945)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD1/BD2 Y386A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	10	ChEMBL_2015385 (CHEMBL4668963)	Inhibition of human ERG
50011314	11	ChEMBL_2015390 (CHEMBL4668968)	Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50011314	12	ChEMBL_2015391 (CHEMBL4668969)	Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50011315	1	ChEMBL_2015408 (CHEMBL4668986)	Inhibition of human neutrophil elastase
50011315	2	ChEMBL_2015409 (CHEMBL4668987)	Inhibition of human cathepsin C
50011316	1	ChEMBL_2015617 (CHEMBL4669195)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate addition and measured for 6 mins by Ellman's method
50011316	2	ChEMBL_2015618 (CHEMBL4669196)	Inhibition of AChE in rat brain using acetylthiocholine iodide as substrate by Ellman's UV-vis spectrophotometric method
50011319	1	ChEMBL_2015623 (CHEMBL4669201)	Inhibition of RPE65 in bovine RPE microsomes assessed as reduction in 11-cis-retinol production using all-trans-retinol as substrate pre-incubated with enzyme for 5 mins followed by further incubation with all-trans-retinol for 1 hr by normal phase HPLC analysis
50011320	1	ChEMBL_2015629 (CHEMBL4669207)	Inhibition of JAK in human PBMC assessed as inhibition of IL2-induced STAT5 phosphorylation preincubated for 30 mins followed by addition IL2 stimulation and measured after 30 mins by ELISA
50011320	2	ChEMBL_2015630 (CHEMBL4669208)	Inhibition of JAK in human PBMC assessed as inhibition of GM-CSF-induced STAT5 phosphorylation preincubated for 30 mins followed by addition IL2 stimulation and measured after 30 mins by ELISA
50011320	3	ChEMBL_2015631 (CHEMBL4669209)	Inhibition of JAK in human PBMC assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 30 mins followed by addition IL2 stimulation and measured after 30 mins by ELISA
50011321	1	ChEMBL_2015639 (CHEMBL4669217)	Inhibition of human ERG
50011321	2	ChEMBL_2015641 (CHEMBL4669219)	Inhibition of SYK (unknown origin)
50011322	1	ChEMBL_2015642 (CHEMBL4669220)	Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay
50011322	2	ChEMBL_2015644 (CHEMBL4669222)	Inhibition of human V1a receptor expressed in human 1321N1 cells assessed as decrease in Arg8-vasopressin-stimulated calcium flux by fluorometric calcium assay
50011322	3	ChEMBL_2015654 (CHEMBL4669232)	Inhibition of human ERG by QPatch HTX automated patch clamp system
50011322	4	ChEMBL_2015656 (CHEMBL4669234)	Displacement of [3H]AVP from human V2a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay
50011323	1	ChEMBL_2015690 (CHEMBL4669268)	Inhibition of recombinant His6x-tagged human SphK1 expressed in HEK293 cells assessed as reduction in S1P formation using D-erythro-sphingosine as substrate by Western blot analysis
50011323	2	ChEMBL_2015698 (CHEMBL4669276)	Binding affinity to SphK1 in HEK293 cells assessed as direct target engagement incubated for 24 hrs followed by thermal denaturation at 61 degreeC by ITDRF-CETSA assay
50011323	3	ChEMBL_2015699 (CHEMBL4669277)	Binding affinity to SphK2 in HEK293 cells assessed as direct target engagement incubated for 24 hrs followed by thermal denaturation at 61 degreeC by ITDRF-CETSA assay
50011323	4	ChEMBL_2015700 (CHEMBL4669278)	Binding affinity to beta tubulin in HEK293 cells assessed as disruption of microtubule polymerization by ITDRF-CETSA assay
50011324	1	ChEMBL_2015743 (CHEMBL4669321)	Inhibition of human soluble epoxide hydrolase by kinetic fluorescent assay
50011324	2	ChEMBL_2015744 (CHEMBL4669322)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as fluorescent substrate
50011325	1	ChEMBL_2015805 (CHEMBL4669383)	Inhibition of Class 1 HDAC in VSV-G-pseudotyped HIV infected human 2C4 cell Jurkat model assessed as reactivation of HIV latency in presence of 5% NHS by fluorescent reporter gene assay
50011325	2	ChEMBL_2015806 (CHEMBL4669384)	Inhibition of Class 1 HDAC in VSV-G-pseudotyped HIV infected human 2C4 cell Jurkat model assessed as reactivation of HIV latency in presence of 0.1% NHS by fluorescent reporter gene assay
50011329	1	ChEMBL_2015864 (CHEMBL4669442)	Agonist activity at human FFAR2 expressed in HEK293 cells assessed as increase in cAMP level by HTRF assay
50011338	1	ChEMBL_2015912 (CHEMBL4669490)	Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-GlyLeu-Dpa-Ala-Arg-NH2 as substrate by fluorometric assay
50011338	2	ChEMBL_2015913 (CHEMBL4669491)	Inhibition of MMP9 (unknown origin) using Mca-Lys-Pro-Leu-GlyLeu-Dpa-Ala-Arg-NH2 as substrate by fluorometric assay
50011343	1	ChEMBL_2015966 (CHEMBL4669544)	Binding affinity to CM5 chip immobilized beta tubulin (unknown origin) assessed as thermodynamic constants by SPR assay
50011344	1	ChEMBL_2015972 (CHEMBL4669550)	Potentiation of CFTR F508 deletion mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP assessed as increase in intracellular cAMP content incubated for 20 mins in presence of forskolin by fluorescent method
50011345	1	ChEMBL_2015975 (CHEMBL4669553)	Inhibition of ODC (unknown origin) expressed in Escherichia coli after 30 mins in presence of [1-14C] L-ornithine by liquid scintillation counter analysis
50011359	1	ChEMBL_2016084 (CHEMBL4669662)	Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli using 5'-FAM/3'-BHQ1 tagged oligonucleotide as substrate by fluorescence assay
50011364	1	ChEMBL_2016124 (CHEMBL4669702)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate preincubated for 5 mins followed by addition of NADPH measured after 20 mins by LC-MS/MS analysis
50011364	2	ChEMBL_2016125 (CHEMBL4669703)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate preincubated for 5 mins followed by addition of NADPH measured after 20 mins by LC-MS/MS analysis
50011364	3	ChEMBL_2016126 (CHEMBL4669704)	Inhibition of CYP2D6 (unknown origin) using dextromethorphan as substrate preincubated for 5 mins followed by addition of NADPH measured after 20 mins by LC-MS/MS analysis
50011364	4	ChEMBL_2016127 (CHEMBL4669705)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate preincubated for 5 mins followed by addition of NADPH measured after 20 mins by LC-MS/MS analysis
50011364	5	ChEMBL_2016129 (CHEMBL4669707)	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate preincubated for 5 mins followed by addition of NADPH measured after 20 mins by LC-MS/MS analysis
50011364	6	ChEMBL_2016201 (CHEMBL4669779)	Inhibition of FITC-HIF1alpha (556 to 574 residues) binding to PHD2 (181 to 426 residues) (unknown origin) by fluorescence polarization assay
50011368	1	ChEMBL_2016240 (CHEMBL4669818)	Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay
50011368	2	ChEMBL_2016241 (CHEMBL4669819)	Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH peptide substrate by caliper assay
50011369	1	ChEMBL_2016245 (CHEMBL4669823)	Binding affinity to 5HT7 receptor (unknown origin)
50011369	2	ChEMBL_2016246 (CHEMBL4669824)	Binding affinity to 5HT6 receptor (unknown origin)
50011369	3	ChEMBL_2016247 (CHEMBL4669825)	Binding affinity to 5HT2A receptor (unknown origin)
50011369	4	ChEMBL_2016248 (CHEMBL4669826)	Binding affinity to 5HT1A receptor (unknown origin)
50011369	5	ChEMBL_2016249 (CHEMBL4669827)	Binding affinity to SERT (unknown origin)
50011369	6	ChEMBL_2016250 (CHEMBL4669828)	Binding affinity to H1 receptor (unknown origin)
50011369	7	ChEMBL_2016251 (CHEMBL4669829)	Binding affinity to D2 receptor (unknown origin)
50011371	1	ChEMBL_2016256 (CHEMBL4669834)	Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate by caliper assay
50011371	2	ChEMBL_2016257 (CHEMBL4669835)	Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate by caliper assay
50011371	3	ChEMBL_2016258 (CHEMBL4669836)	Inhibition of ROCK2 (unknown origin)
50011371	4	ChEMBL_2016259 (CHEMBL4669837)	Inhibition of ROCK1 (unknown origin)
50011371	5	ChEMBL_2016260 (CHEMBL4669838)	Inhibition of recombinant human GST-tagged ROCK2 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay
50011371	6	ChEMBL_2016261 (CHEMBL4669839)	Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay
50011373	1	ChEMBL_2016271 (CHEMBL4669849)	Inhibition of CYP3A4 (unknown origin)
50011373	2	ChEMBL_2016273 (CHEMBL4669851)	Inhibition of CYP2C19 (unknown origin)
50011373	3	ChEMBL_2016274 (CHEMBL4669852)	Inhibition of CYP2D6 (unknown origin)
50011373	4	ChEMBL_2016275 (CHEMBL4669853)	Inhibition of CYP2C9 (unknown origin)
50011373	5	ChEMBL_2016276 (CHEMBL4669854)	Inhibition of human ERG
50011373	6	ChEMBL_2016277 (CHEMBL4669855)	Agonist activity at human N-terminal HA-tagged SST2 expressed in cell assessed as induction of receptor internalization by colorimetric analysis
50011373	7	ChEMBL_2016278 (CHEMBL4669856)	Agonist activity at human SST4
50011373	8	ChEMBL_2016279 (CHEMBL4669857)	Agonist activity at human SST5
50011373	9	ChEMBL_2016280 (CHEMBL4669858)	Agonist activity at human SST1
50011373	10	ChEMBL_2016281 (CHEMBL4669859)	Agonist activity at human SST3
50011373	11	ChEMBL_2016282 (CHEMBL4669860)	Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels
50011375	1	ChEMBL_2016288 (CHEMBL4669866)	Binding affinity to N-terminal domain of human galectin-8 (8-154 residues) by ITC assay
50011377	1	ChEMBL_2016302 (CHEMBL4669880)	Inhibition of human BSEP expressed in baculovirus infected Hi5 insect cells in presence of taurocholic acid by LC-MS/MS analysis
50011377	2	ChEMBL_2016311 (CHEMBL4669889)	Inhibition of human SLC22A2 expressed in HEK293 cells in presence of para-aminohippuric acid/metformin
50011377	3	ChEMBL_2016312 (CHEMBL4669890)	Inhibition of human SLC22A8 expressed in HEK293 cells in presence of para-aminohippuric acid/metformin
50011377	4	ChEMBL_2016313 (CHEMBL4669891)	Inhibition of human SLC22A6 expressed in HEK293 cells in presence of para-aminohippuric acid/metformin
50011377	5	ChEMBL_2016314 (CHEMBL4669892)	Inhibition of human OATP1B3 expressed in HEK293 cells n presence of rosuvastatin
50011377	6	ChEMBL_2016315 (CHEMBL4669893)	Inhibition of human OATP1B1 expressed in HEK293 cells n presence of rosuvastatin
50011377	7	ChEMBL_2016318 (CHEMBL4669896)	Inhibition of human ABCG2 expressed in MDCK2-LE cells in presence of digoxin
50011377	8	ChEMBL_2016319 (CHEMBL4669897)	Inhibition of human ABCC1 expressed in MDCK2-LE cells in presence of pitavastatin
50011377	9	ChEMBL_2016320 (CHEMBL4669898)	Inhibition of UGT2B15 in human liver microsomes in presence of UDPGA by LC-MS/MS analysis
50011377	10	ChEMBL_2016321 (CHEMBL4669899)	Inhibition of UGT2B7 in human liver microsomes incubated for 60 mins in presence of UDPGA by LC-MS/MS analysis
50011377	11	ChEMBL_2016322 (CHEMBL4669900)	Inhibition of UGT1A9 in human liver microsomes incubated for 30 mins in presence of UDPGA by LC-MS/MS analysis
50011377	12	ChEMBL_2016323 (CHEMBL4669901)	Inhibition of UGT1A6 in human liver microsomes incubated for 90 mins in presence of UDPGA by LC-MS/MS analysis
50011377	13	ChEMBL_2016328 (CHEMBL4669906)	inhibition of CYP3A4 in human liver microsomes
50011377	14	ChEMBL_2016329 (CHEMBL4669907)	inhibition of CYP2D6 in human liver microsomes
50011377	15	ChEMBL_2016330 (CHEMBL4669908)	inhibition of CYP2C19 in human liver microsomes
50011377	16	ChEMBL_2016331 (CHEMBL4669909)	inhibition of CYP2C9 in human liver microsomes
50011377	17	ChEMBL_2016332 (CHEMBL4669910)	inhibition of CYP2B6 in human liver microsomes
50011377	18	ChEMBL_2016333 (CHEMBL4669911)	inhibition of CYP2C8 in human liver microsomes
50011377	19	ChEMBL_2016334 (CHEMBL4669912)	inhibition of CYP1A2 in human liver microsomes
50011377	20	ChEMBL_2016336 (CHEMBL4669914)	Inhibition of UGT1A4 in human liver microsomes incubated for 30 mins in presence of UDPGA by LC-MS/MS analysis
50011377	21	ChEMBL_2016341 (CHEMBL4669919)	Inhibition of rat ACC1 using acetyl-CoA as substrate incubated for 20 mins in presence of [14C]O3 by liquid scintillation counting method
50011377	22	ChEMBL_2016344 (CHEMBL4669922)	Uncompetitive inhibition of human ACC2 incubated for 15 mins in presence of ATP by Line weaver-Burk plot analysis
50011377	23	ChEMBL_2016346 (CHEMBL4669924)	Uncompetitive inhibition of human ACC1 incubated for 15 mins in presence of ATP by Line weaver-Burk plot analysis
50011377	24	ChEMBL_2016402 (CHEMBL4669980)	Inhibition of recombinant human ACC2 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay
50011377	25	ChEMBL_2016403 (CHEMBL4669981)	Inhibition of recombinant human ACC1 using acetyl coA as substrate incubated for 1 hr by transcreener fluorescence polarization assay
50011384	1	ChEMBL_2016448 (CHEMBL4670026)	Inhibition of electric eel AChE by Ellman's method
50011384	2	ChEMBL_2016449 (CHEMBL4670027)	Inhibition of equine BuChE by Ellman's method
50011388	1	ChEMBL_2016501 (CHEMBL4670079)	Inhibition of FC-tagged PD1/His-tagged PD-L1 (unknown origin) protein-proteiinteraction incubated for 3 hrs by coimmunoprecipitation-based Western blot assay
50011388	2	ChEMBL_2016502 (CHEMBL4670080)	Binding affinity to PD1 (unknown origin) by SPR analysis
50011388	3	ChEMBL_2016503 (CHEMBL4670081)	Binding affinity to PDL1 (unknown origin) by SPR analysis
50011388	4	ChEMBL_2016504 (CHEMBL4670082)	Inhibition of PD1-Tag2/PD-L1-Tag1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and anti-Tag2-XL665 measured after 3 hrs by HTRF assay
50011390	1	ChEMBL_2016534 (CHEMBL4670112)	Agonist activity at NPY5R (unknown origin) by CRE-luciferase reporter gene assay
50011390	2	ChEMBL_2016536 (CHEMBL4670114)	Agonist activity at NPY4R (unknown origin) by CRE-luciferase reporter gene assay
50011390	3	ChEMBL_2016537 (CHEMBL4670115)	Agonist activity NPY1R (unknown origin) by CRE-luciferase reporter gene assay
50011390	4	ChEMBL_2016538 (CHEMBL4670116)	Agonist activity at human NPY2R expressed in HEK293 cells co-transfected with CRE-luciferase incubated for 24 hrs in presence of 10% FBS by One-Glo luciferase assay
50011390	5	ChEMBL_2016540 (CHEMBL4670118)	Agonist activity at human NPY2R expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation incubated for 30 mins in absence of 10% FBS by HTRF assay
50011390	6	ChEMBL_2016541 (CHEMBL4670119)	Agonist activity at human NPY2R expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP accumulation incubated for 30 mins in presence of 10% FBS by HTRF assay
50011392	1	ChEMBL_2016545 (CHEMBL4670123)	Antagonist activity at 5-HT2B receptor (unknown origin) assessed as inhibition of 5HT-indued response by calcium mobilization assay
50011392	2	ChEMBL_2016546 (CHEMBL4670124)	Agonist activity at 5-HT2B receptor (unknown origin) by calcium mobilization assay
50011392	3	ChEMBL_2016548 (CHEMBL4670126)	Antagonist activity at 5HT2B receptor (unknown origin) by radioligand binding assay
50011392	4	ChEMBL_2016552 (CHEMBL4670130)	Antagonist activity at 5HT2C receptor (unknown origin) by radioligand binding assay
50011393	1	ChEMBL_2016556 (CHEMBL4670134)	Inhibition of trypsin-like activity of human 20S proteasome beta 2
50011393	2	ChEMBL_2016557 (CHEMBL4670135)	Inhibition of caspase-like activity of human 20S proteasome beta 1
50011393	3	ChEMBL_2016558 (CHEMBL4670136)	Inhibition of human 20S proteasome beta 5
50011399	1	ChEMBL_2016583 (CHEMBL4670161)	Agonist activity at rat APJ receptor stably expressed in CHO cell membranes in presence of [35S]GTPgammaS by scintillation proximity assay
50011399	2	ChEMBL_2016589 (CHEMBL4670167)	Agonist activity at human APJ receptor stably expressed in CHO cell membranes in presence of [35S]GTPgammaS by scintillation proximity assay
50011403	1	ChEMBL_2016609 (CHEMBL4670187)	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50011403	2	ChEMBL_2016610 (CHEMBL4670188)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50011403	3	ChEMBL_2016612 (CHEMBL4670190)	Inhibition of recombinant N-terminal FLAG-tagged full-length human PI3K p110alpha/human p85alpha co- expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hr in presence of ATP by ADP-Glo lipid kinase assay
50011403	4	ChEMBL_2016613 (CHEMBL4670191)	Inhibition of recombinant N-terminal FLAG-tagged full-length human PI3K p110beta/human p85alpha co- expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hr in presence of ATP by ADP-Glo lipid kinase assay
50011403	5	ChEMBL_2016614 (CHEMBL4670192)	Inhibition of recombinant N-terminal His-tagged full-length human PI3K p120gamma expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hr in presence of ATP by ADP-Glo lipid kinase assay
50011403	6	ChEMBL_2016615 (CHEMBL4670193)	Inhibition of recombinant N-terminal GST-tagged full-length human PI3K p110delta/p85alpha co- expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 60 mins followed by substrate addition and measured after 1 hr in presence of ATP by ADP-Glo lipid kinase assay
50011403	7	ChEMBL_2016616 (CHEMBL4670194)	Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at S473 residue incubated for 60 mins by alphalisa assay
50011403	8	ChEMBL_2016620 (CHEMBL4670198)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50011403	9	ChEMBL_2016621 (CHEMBL4670199)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50011403	10	ChEMBL_2016622 (CHEMBL4670200)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50011414	1	ChEMBL_2016708 (CHEMBL4670286)	Binding affinity to biotinylated TRF2 (unknown origin) by biolayer interferometry assay
50011414	2	ChEMBL_2016709 (CHEMBL4670287)	Binding affinity to TRFH domain of TRF2 (residues 42 to 245) (unknown origin) by FP based assay
50011415	1	ChEMBL_2016722 (CHEMBL4670300)	Inhibition of human TREK1 at intermediate transition state expressed in CHO cells by whole-cell patch-clamp electrophysiological method
50011416	1	ChEMBL_2016724 (CHEMBL4670302)	Binding affinity to 15N-labeled His6-tagged Cathepsin S (unknown origin) expressed in Escherichia coli by 2D 15N-HSQC-NMR analysis
50011416	2	ChEMBL_2016727 (CHEMBL4670305)	Inhibition of Cathepsin S in human Raji cells assessed as increase in Lip10 accumulation after 24 hrs by SDS-PAGE analysis
50011416	3	ChEMBL_2016734 (CHEMBL4670312)	Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50011419	1	ChEMBL_2016742 (CHEMBL4670320)	Substrate activity at SLC6A14 (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine uptake incubated for 10 mins by HPLC/MS/MS analysis
50011419	2	ChEMBL_2016745 (CHEMBL4670323)	Substrate activity at PEPT1 (unknown origin) expressed in MDCK cells assessed as inhibition of gly-sar uptake incubated for 10 mins by HPLC/MS/MS analysis
50011420	1	ChEMBL_2016801 (CHEMBL4670379)	Inverse agonist activity at SNAP-tagged human GHSR expressed in HEK293 cells assessed as inhibition of ghrelin-induced IP1 response measured after 30 mins by HTRF assay
50011420	2	ChEMBL_2016806 (CHEMBL4670384)	Displacement of red-ghrelin from SNAP-tagged human GHSR expressed in HEK293 cells incubated for 3 hrs at 4 degC or for 1 hr at room temperature by HTRF assay
50011421	1	ChEMBL_2016819 (CHEMBL4670397)	Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation counting method
50011421	2	ChEMBL_2016820 (CHEMBL4670398)	Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat cortex membranes measured after 30 mins by Microbeta2 scintillation counting method
50011421	3	ChEMBL_2016821 (CHEMBL4670399)	Displacement of [3H]methylspiperone from human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by Microbeta2 scintillation counting method
50011421	4	ChEMBL_2016825 (CHEMBL4670403)	Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells assessed as increase in ERK1/2 phosphorylation after 15 mins by Alphalisa assay
50011421	5	ChEMBL_2016827 (CHEMBL4670405)	Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 40 mins by LANCE Ultra cAMP kit-based TR-FRET assay
50011421	6	ChEMBL_2016829 (CHEMBL4670407)	Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A receptor expressed in human U2OS cells assessed as induction of beta-arrestin2 recruitment measured after 5 hrs by Tango assay
50011421	7	ChEMBL_2016831 (CHEMBL4670409)	Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells co-expressing Galpha16/GPCR assessed as increase in calcium mobilization measured for 30 secs in presence of coelenterazine by aequorin-reporter gene based luminescence assay
50011423	1	ChEMBL_2016844 (CHEMBL4670422)	Agonist activity at PPARy in human HepG2 cells transfected with human PPRE incubated for 14 to 16 hrs using pre-irradiated compound by firefly luciferase reporter gene assay
50011423	2	ChEMBL_2016845 (CHEMBL4670423)	Binding affinity to recombinant PPARy LBD (unknown origin) expressed in Escherichia coli BL21 DE3 using pre-irradiated compound by ITC assay
50011423	3	ChEMBL_2016850 (CHEMBL4670428)	Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene assay
50011423	4	ChEMBL_2016851 (CHEMBL4670429)	Agonist activity at PPARgamma (unknown origin)
50011424	1	ChEMBL_2016866 (CHEMBL4670444)	Inhibition of Clostridium botulinum BoNT/A intoxicated in hiPSC-derived neurons assessed as reduction in SNAP-25 cleavage using SNAP-25 as substrate treated 30 mins post toxin addition and measured 7 hrs post toxin addition by Western blot analysis
50011424	2	ChEMBL_2016867 (CHEMBL4670445)	Reversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincubated with enzyme for 30 mins followed by substrate addition by fluorescence assay
50011424	3	ChEMBL_2016875 (CHEMBL4670453)	Time dependent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate by measuring fluorescence up to 40 min
50011424	4	ChEMBL_2016878 (CHEMBL4670456)	Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincubated for 0.5 to 30 mins followed by substrate addition by fluorescence assay
50011424	5	ChEMBL_2016885 (CHEMBL4670463)	Irreversible inhibition of recombinant Clostridium botulinum N-terminal 6His-tagged BoNT/A (Met1 to Phe425 residues) catalytic domain expressed in Escherichia coli BL21 (DE3)
50011424	6	ChEMBL_2016886 (CHEMBL4670464)	Covalent inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide flp6 as substrate preincubated with enzyme for 0.5 to 30 mins followed by substrate addition by FRET assay
50011424	7	ChEMBL_2016890 (CHEMBL4670468)	Irreversible inhibition of Clostridium botulinum BoNT/A light chain expressed in Escherichia coli BL21 (DE3) using SNAPtide as substrate preincubated with enzyme for 0.5 to 30 mins followed by substrate addition by Michaelis-Menten equation analysis
50011424	8	ChEMBL_2016893 (CHEMBL4670471)	Inhibition of Clostridium botulinum BoNT/A
50011424	9	ChEMBL_2016894 (CHEMBL4670472)	Inhibition of Clostridium botulinum BoNT/A using SNAP-25 (141-206) as substrate by HPLC analysis
50011428	1	ChEMBL_2016947 (CHEMBL4670525)	Antagonist activity at ER-alpha in human MCF-7:WS8 cells transfected with an estrogen response element assessed as suppression of estrogen-induced response incubated for 18 hrs by luciferase reporter gene assay
50011429	1	ChEMBL_2016970 (CHEMBL4670548)	Inhibition of actin-activated porcine heart muscle myosin 2
50011429	2	ChEMBL_2016972 (CHEMBL4670550)	Inhibition of actin-activated bovine heart muscle myosin 2 assessed as phosphate level incubated for 6 to 24 mins by spectrophotometric method
50011430	1	ChEMBL_2016987 (CHEMBL4670565)	Inhibition of NaV1.5 (unknown origin)
50011431	1	ChEMBL_2017014 (CHEMBL4670592)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by whole cell voltage patch clamp assay
50011431	2	ChEMBL_2017066 (CHEMBL4670644)	Inhibition of CYP3A4 in human liver microsome using midazolam as substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis
50011431	3	ChEMBL_2017067 (CHEMBL4670645)	Inhibition of CYP2D6 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis
50011431	4	ChEMBL_2017068 (CHEMBL4670646)	Inhibition of CYP2C19 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis
50011431	5	ChEMBL_2017069 (CHEMBL4670647)	Inhibition of CYP2C9 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis
50011431	6	ChEMBL_2017070 (CHEMBL4670648)	Inhibition of CYP1A2 in human liver microsome using probe substrate measured after 20 mins in presence of NADPH by LC-MS/MS analysis
50011431	7	ChEMBL_2017071 (CHEMBL4670649)	Inhibition of GLUT9 (unknown origin)
50011431	8	ChEMBL_2017072 (CHEMBL4670650)	Inhibition of human URAT1 expressed in HEK293T cells assessed as reduction in [14C]uric acid uptake preincubated for 15 mins followed by [14C]uric acid addition by liquid scintillation counting method
50011433	1	ChEMBL_2017084 (CHEMBL4670662)	Inhibition of FLT3 ITD mutant (unknown origin)
50011436	1	ChEMBL_2017087 (CHEMBL4670665)	Agonist activity at NOP (unknown origin) expressed in HEK293 cell membranes co-expressing Gbeta1-RGFP protein assessed as induction of G protein activation incubated for 15 mins by BRET assay
50011436	2	ChEMBL_2017089 (CHEMBL4670667)	Agonist activity at NOP (unknown origin) expressed in HEK293 cell membranes co-expressing beta-arrestin2-RGFP protein assessed as induction of beta-arrestin2 activation incubated for 15 mins by BRET assay
50011436	3	ChEMBL_2017094 (CHEMBL4670672)	Agonist activity at MOP (unknown origin) expressed in SH-SY5Y cell membranes co-expressing Gbeta1-RGFP protein assessed as induction of G protein activation incubated for 15 mins by BRET assay
50011436	4	ChEMBL_2017096 (CHEMBL4670674)	Agonist activity at MOP (unknown origin) expressed in SH-SY5Y cell membranes co-expressing beta-arrestin2-RGFP protein assessed as induction of beta-arrestin2 activation incubated for 15 mins by BRET assay
50011436	5	ChEMBL_2017099 (CHEMBL4670677)	Agonist activity at DOP (unknown origin) expressed in SH-SY5Y cell membranes co-expressing Gbeta1-RGFP protein assessed as induction of G protein activation incubated for 15 mins by BRET assay
50011436	6	ChEMBL_2017101 (CHEMBL4670679)	Agonist activity at DOP (unknown origin) expressed in SH-SY5Y cell membranes co-expressing beta-arrestin2-RGFP protein assessed as induction of beta-arrestin2 activation incubated for 15 mins by BRET assay
50011438	1	ChEMBL_2017127 (CHEMBL4670705)	Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measured after 20 mins by fluorescence based assay
50011438	2	ChEMBL_2017128 (CHEMBL4670706)	Inhibition of LDHA in human A673 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence based assay
50011438	3	ChEMBL_2017130 (CHEMBL4670708)	Inhibition of LDHA in human MIA PaCa-2 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence based assay
50011438	4	ChEMBL_2017132 (CHEMBL4670710)	Inhibition of GS[HiBiT]GS-tagged LDHA (unknown origin) expressed in HEK-293T cells measured after 1 hr by CESTA
50011438	5	ChEMBL_2017133 (CHEMBL4670711)	Binding affinity to human His-tagged LDHA by SPR analysis
50011439	1	ChEMBL_2017161 (CHEMBL4670739)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction assessed induction of Nrf2 nuclear translocation
50011439	2	ChEMBL_2017163 (CHEMBL4670741)	Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 cells incubated for 30 mins by fluorescence polarization assay
50011439	3	ChEMBL_2017164 (CHEMBL4670742)	Binding affinity to human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 assessed as dissociation constant by isothermal titration calorimetry
50011439	4	ChEMBL_2017165 (CHEMBL4670743)	Binding affinity to biotinylated human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 by biolayer interferometry
50011442	1	ChEMBL_2017232 (CHEMBL4670810)	Binding affinity to nonacylated N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells assessed as inhibition of protein-FAM-YAP (50 to 100 residues) interaction preincubated for 10 mins followed by FAM YAP addition and measured after 1 hr by fluorescence assay
50011442	2	ChEMBL_2017234 (CHEMBL4670812)	Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by ITC method
50011442	3	ChEMBL_2017235 (CHEMBL4670813)	Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by CPM addition and measured after 1 hr by fluorescence assay
50011442	4	ChEMBL_2017237 (CHEMBL4670815)	Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by FITC-labeled palmitate tracer addition and measured after 1 hr by fluorescence assay
50011442	5	ChEMBL_2017244 (CHEMBL4670822)	Reversible inhibition of CPM binding to nonacylated N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells measured after 1 to 24 hrs by fluorescence assay
50011442	6	ChEMBL_2017247 (CHEMBL4670825)	Inhibition of CPM binding to nonacylated N-terminal His6/GST-tagged human TEAD1 (209 to 426 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by CPM addition and measured after 1 hr by fluorescence assay
50011442	7	ChEMBL_2017248 (CHEMBL4670826)	Inhibition of CPM binding to nonacylated N-terminal His6-tagged human TEAD2 (217 to 447 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by CPM addition and measured after 1 hr by fluorescence assay
50011442	8	ChEMBL_2017249 (CHEMBL4670827)	Inhibition of CPM binding to N-terminal His6-tagged human TEAD3 (216 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by CPM addition and measured after 1 hr by fluorescence assay
50011328	1	ChEMBL_2017292 (CHEMBL4670870)	Inhibition of MetAP2 (unknown origin)
50011328	2	ChEMBL_2017293 (CHEMBL4670871)	Inhibition of MetAP2 in mouse B cells assessed as reduction in IgG secretion
50011333	1	ChEMBL_2017294 (CHEMBL4670872)	Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability
50011333	2	ChEMBL_2017295 (CHEMBL4670873)	Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-1
50011336	1	ChEMBL_2017319 (CHEMBL4670897)	Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as increase in CD69/CD25 level incubated for overnight by flow cytometric analysis
50011336	2	ChEMBL_2017325 (CHEMBL4670903)	Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells
50011339	1	ChEMBL_2017327 (CHEMBL4670905)	Inhibition of human recombinant COX2 expressed in Sf9 cells using arachidonic acid and ADHP incubated for 5 mins by fluorimetry
50011339	2	ChEMBL_2017329 (CHEMBL4670907)	Inhibition of human recombinant COX1 expressed in Sf9 cells using arachidonic acid and ADHP incubated for 3 mins by fluorimetry
50011340	1	ChEMBL_2017349 (CHEMBL4670927)	Inhibiton of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as reduction in EGFR induced cell viability after 96 hrs by CellTiter-Glo assay
50011340	2	ChEMBL_2017350 (CHEMBL4670928)	Inhibiton of EGFR (unknown origin) expressed in human A431 cells assessed as reduction in EGFR induced cell viability after 96 hrs by CellTiter-Glo assay
50011340	3	ChEMBL_2017351 (CHEMBL4670929)	Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins by HTRF assay
50011340	4	ChEMBL_2017352 (CHEMBL4670930)	Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by HTRF assay
50011340	5	ChEMBL_2017353 (CHEMBL4670931)	Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by HTRF assay
50011340	6	ChEMBL_2017369 (CHEMBL4670947)	Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins in presence of XL665-labeled streptavidin by HTRF assay
50011341	1	ChEMBL_2017407 (CHEMBL4670985)	Binding affinity to human PD1-L1 (18-134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by MST analysis
50011342	1	ChEMBL_2017425 (CHEMBL4671003)	Inhibition of 5-Lipoxygenase (unknown origin)
50011346	1	ChEMBL_2017448 (CHEMBL4671026)	Inhibition of AuroraA (unknown origin)
50011346	2	ChEMBL_2017449 (CHEMBL4671027)	Inhibition of AuroraB (unknown origin) by Kinase-Glo luminescent kinase assay
50011346	3	ChEMBL_2017450 (CHEMBL4671028)	Inhibition of AuroraC (unknown origin)
50011346	4	ChEMBL_2017479 (CHEMBL4671057)	Inhibition of AuroraB (unknown origin)
50011347	1	ChEMBL_2017490 (CHEMBL4671068)	Positive allosteric modulation of rat mGlu7 receptor expressed in HEK293 cells co-expressing Gai5 assessed as potentiation of L-AP4-induced calcium mobilization preincubated for 140 secs and treated with EC20 L-AP4 for 125 secs and followed by subsequent addition of EC80 L-AP4 by Fluo-4-AM dye based fluorescence assay
50011347	2	ChEMBL_2017491 (CHEMBL4671069)	Positive allosteric modulation of rat mGlu7 expressed in HEK293 cells co- expressing GIRK assessed as potentiation of L-AP4-induced thallium flux incubated for 140 sec by FluoZin2-AM dye based fluorescence analysis
50011347	3	ChEMBL_2017563 (CHEMBL4671141)	Displacement of [3H]nisoxetine from recombinant human Dopamine transporter after 120 mins by scintillation counting analysis
50011347	4	ChEMBL_2017575 (CHEMBL4671153)	Displacement of [3H]-Pentazocine from human recombinant sigma 1 receptor incubated for 120 mins by scintillation counting analysis relative to control
50011347	5	ChEMBL_2017576 (CHEMBL4671154)	Positive allosteric modulation of mGlu1 receptor (unknown origin)
50011347	6	ChEMBL_2017577 (CHEMBL4671155)	Positive allosteric modulation of mGlu2 receptor (unknown origin)
50011347	7	ChEMBL_2017578 (CHEMBL4671156)	Positive allosteric modulation of mGlu3 receptor (unknown origin)
50011347	8	ChEMBL_2017579 (CHEMBL4671157)	Positive allosteric modulation of mGlu5 receptor (unknown origin)
50011347	9	ChEMBL_2017580 (CHEMBL4671158)	Positive allosteric modulation of mGlu4 receptor (unknown origin)
50011347	10	ChEMBL_2017581 (CHEMBL4671159)	Positive allosteric modulation of mGlu8 receptor (unknown origin)
50011347	11	ChEMBL_2017583 (CHEMBL4671161)	Negative allosteric modulation of mGlu1 receptor (unknown origin)
50011347	12	ChEMBL_2017584 (CHEMBL4671162)	Negative allosteric modulation of mGlu2 receptor (unknown origin)
50011347	13	ChEMBL_2017585 (CHEMBL4671163)	Negative allosteric modulation of mGlu3 receptor (unknown origin)
50011347	14	ChEMBL_2017586 (CHEMBL4671164)	Negative allosteric modulation of mGlu4 receptor (unknown origin)
50011347	15	ChEMBL_2017587 (CHEMBL4671165)	Negative allosteric modulation of mGlu5 receptor (unknown origin)
50011347	16	ChEMBL_2017588 (CHEMBL4671166)	Negative allosteric modulation of mGlu8 receptor (unknown origin)
50011348	1	ChEMBL_2017706 (CHEMBL4671284)	Inhibition of EGFR in human A549 cells measured after 30 hrs by ELISA
50011349	1	ChEMBL_2017728 (CHEMBL4671306)	Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP activity preincubated with RANKL for 1 hr followed by cell addition and subsequent media replenishment every 48 hrs for 4 days
50011349	2	ChEMBL_2017729 (CHEMBL4671307)	Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluorescence spectrophotometric assay
50011353	1	ChEMBL_2017844 (CHEMBL4671422)	Inhibition of human CDK2 expressed in sf9 insect cells
50011355	1	ChEMBL_2017915 (CHEMBL4671493)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS analysis
50011355	2	ChEMBL_2017916 (CHEMBL4671494)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS analysis
50011355	3	ChEMBL_2017917 (CHEMBL4671495)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS analysis
50011355	4	ChEMBL_2017918 (CHEMBL4671496)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 mins in presence of NADPH generating system by LC-MS/MS analysis
50011355	5	ChEMBL_2017930 (CHEMBL4671508)	Displacement of [3H]PGD2 from full-length recombinant human IP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50011355	6	ChEMBL_2017934 (CHEMBL4671512)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH generating system by LC-MS/MS analysis
50011355	7	ChEMBL_2017937 (CHEMBL4671515)	Displacement of [3H]PGD2 from full-length recombinant human DP1 receptor expressed in Chem-1 cell membranes measured after 120 mins by scintillation counting method
50011355	8	ChEMBL_2017938 (CHEMBL4671516)	Displacement of [3H]prostaglandin E2 from full-length recombinant human EP4 receptor expressed in HEK293 cell membranes measured after 120 mins by scintillation counting method
50011355	9	ChEMBL_2017939 (CHEMBL4671517)	Displacement of [3H]prostaglandin E2 from full-length recombinant human EP3 receptor expressed in HEK293 cell membranes measured after 120 mins by scintillation counting method
50011355	10	ChEMBL_2017940 (CHEMBL4671518)	Displacement of [3H]prostaglandin E2 from full-length recombinant human EP2 receptor expressed in HEK293 cell membranes measured after 120 mins by scintillation counting method
50011355	11	ChEMBL_2017941 (CHEMBL4671519)	Displacement of [3H]prostaglandin E2 from full-length recombinant human EP1 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50011355	12	ChEMBL_2017943 (CHEMBL4671521)	Displacement of [3H]PGF2alpha from full-length recombinant human FP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting method
50011355	13	ChEMBL_2017950 (CHEMBL4671528)	Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins followed by PGF2alpha stimulation and measured for 120 secs by fluo-8 AM dye based fluorescence assay
50011355	14	ChEMBL_2017956 (CHEMBL4671534)	Antagonist activity at rat FPR stably expressed in CHO cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins followed by PGF2alpha stimulation and measured for 120 secs by fluo-8 AM dye based fluorescence assay
50011355	15	ChEMBL_2017957 (CHEMBL4671535)	Antagonist activity at FPR in Wistar rat assessed as inhibition of PGF2alpha-induced uterus contraction
50011355	16	ChEMBL_2017958 (CHEMBL4671536)	Antagonist activity at FPR in mouse NIH3T3 cells assessed as inhibition of PGF2alpha-induced cytokine induced neutrophil attracting chemokine production measured after 24 hrs by Bio-Rad assay
50011355	17	ChEMBL_2017959 (CHEMBL4671537)	Antagonist activity at FPR in mouse NIH3T3 cells assessed as inhibition of PGF2alpha-induced MCP1 production measured after 24 hrs by Bio-Rad assay
50011355	18	ChEMBL_2017960 (CHEMBL4671538)	Displacement of [3H]PGD2 from full-length recombinant human CRTH2 receptor expressed in CHOK1 cell membranes measured after 120 mins by scintillation counting method
50011355	19	ChEMBL_2017962 (CHEMBL4671540)	Antagonist activity at recombinant full-length human TP receptor expressed in HEK293 cells assessed as inhibition of U-44069-induced response measured after 30 mins by TR-FRET assay
50011362	1	ChEMBL_2017994 (CHEMBL4671572)	Inhibition of human ERG
50011362	2	ChEMBL_2017996 (CHEMBL4671574)	Binding affinity to human 5HT2A receptor
50011362	3	ChEMBL_2017999 (CHEMBL4671577)	Binding affinity to human dopamine D2 receptor
50011362	4	ChEMBL_2018000 (CHEMBL4671578)	Binding affinity to human dopamine D1 receptor
50011365	1	ChEMBL_2018154 (CHEMBL4671732)	Inhibition of human ERG
50011365	2	ChEMBL_2018158 (CHEMBL4671736)	Activation of human sGC subunit alpha1/beta1 expressed in CHO cells assessed as cGMP production by CASA assay
50011365	3	ChEMBL_2018163 (CHEMBL4671741)	Activation of human sGC subunit alpha1/beta1 expressed in CHO cells assessed as cGMP production in presence of ODQ by CASA assay
50011365	4	ChEMBL_2018164 (CHEMBL4671742)	Inhibition of CYP3A4 (unknown origin)
50011365	5	ChEMBL_2018165 (CHEMBL4671743)	Inhibition of CYP2D6 (unknown origin)
50011365	6	ChEMBL_2018166 (CHEMBL4671744)	Inhibition of CYP2C9 (unknown origin)
50011366	3	ChEMBL_2018186 (CHEMBL4671764)	Inhibition of NLRP3 inflammasome activation in human THP1 cells assessed as inhibition of IL-1beta release in presence of MSU
50011366	4	ChEMBL_2018187 (CHEMBL4671765)	Inhibition of NLRP3 inflammasome activation in human THP1 cells assessed as inhibition of IL-1beta release in presence of nigericin
50011366	5	ChEMBL_2018189 (CHEMBL4671767)	Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta production
50011367	1	ChEMBL_2018313 (CHEMBL4671891)	Inhibition of FP-Rh binding to APT-1/2 in mouse brain cytosolic fraction preincubated for 1 hr followed by FP-Rh addition and measured after 1 hr by SDS-PAGE analysis
50011367	2	ChEMBL_2018315 (CHEMBL4671893)	Inhibition of FP-Rh binding to ABHD6 in mouse brain cytosolic fraction preincubated for 1 hr followed by FP-Rh addition and measured after 1 hr by SDS-PAGE analysis
50011370	1	ChEMBL_2018328 (CHEMBL4671906)	Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 mins by HTRF assay
50011370	2	ChEMBL_2018329 (CHEMBL4671907)	Agonist activity at human glucagon receptor expressed in HEK293 cells assessed as induction of cAMP accumulation incubated for 30 mins by HTRF assay
50011370	3	ChEMBL_2018330 (CHEMBL4671908)	Inhibition of TAFIalpha in human plasma incubated for 15 mins by chromogenic assay
50011378	1	ChEMBL_2018348 (CHEMBL4671926)	Inhibition of HDAC8 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011378	2	ChEMBL_2018349 (CHEMBL4671927)	Inhibition of HDAC2 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011378	3	ChEMBL_2018350 (CHEMBL4671928)	Inhibition of HDAC1 (unknown origin) in using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011378	4	ChEMBL_2018351 (CHEMBL4671929)	Binding affinity to full length His-tagged Bcl-xl (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 mins by fluorescence polarization assay
50011378	5	ChEMBL_2018352 (CHEMBL4671930)	Binding affinity to full length His-tagged Mcl1 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 mins by fluorescence polarization assay
50011378	6	ChEMBL_2018353 (CHEMBL4671931)	Binding affinity to full length His-tagged Bcl2 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 mins by fluorescence polarization assay
50011378	7	ChEMBL_2018354 (CHEMBL4671932)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011378	8	ChEMBL_2018355 (CHEMBL4671933)	Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by FITC-BIM addition and measured after 20 mins by fluorescence polarization assay
50011378	9	ChEMBL_2018359 (CHEMBL4671937)	Activation of BAX (unknown origin)
50011379	1	ChEMBL_2018404 (CHEMBL4671982)	Inhibition of TrxR in human BEL-7402/5-FU cells by colorimetric assay
50011380	1	ChEMBL_2018480 (CHEMBL4672058)	Inhibition of recombinant biotinylated human MIF expressed in Escherichia coli BL21 DE3 binding to immobilized soluble human CD74 receptor ectodomain (73 to 232 residues) using p-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition by ELISA
50011380	2	ChEMBL_2018481 (CHEMBL4672059)	Non-competitive inhibition of recombinant human MIF assessed as inhibition constant using varying levels of p-hydroxyphenylpyruvate as substrate by Lineweaver-Burk plot analysis
50011380	3	ChEMBL_2018482 (CHEMBL4672060)	Binding affinity to recombinant biotinylated human MIF expressed in Escherichia coli BL21 DE3 by surface plasmon resonance assay
50011380	4	ChEMBL_2018483 (CHEMBL4672061)	Inhibition of recombinant biotinylated human MIF tautomerase activity expressed in Escherichia coli BL21 DE3 assessed as reduction in tautomerization of keto-p-hydroxyphenylpyruvate using keto-p-hydroxyphenylpyrivate as substrate preincubated for 30 mins followed by substrate addition by HTS assay
50011380	5	ChEMBL_2018484 (CHEMBL4672062)	Inhibition of recombinant human MIF expressed in Escherichia coli BL21 DE3 binding to recombinant soluble human CD74 receptor ectodomain (73 to 232 residues) expressed in Escherichia coli BL21 (DE3) pLysS using p-nitrophenyl phosphate as substrate by ELISA
50011380	6	ChEMBL_2018485 (CHEMBL4672063)	Inhibition of MIF-induced IL-8 secretion in human foreskin fibroblasts incubated for 30 mins by ELISA
50011381	1	ChEMBL_2018489 (CHEMBL4672067)	Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV holding potential by two-electrode voltage-clamp assay
50011381	2	ChEMBL_2018491 (CHEMBL4672069)	Inhibition of rat alpha3beta2 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV holding potential by two-electrode voltage-clamp assay
50011381	3	ChEMBL_2018503 (CHEMBL4672081)	Inhibition of rat alpha6alpha3beta2beta3 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV holding potential by two-electrode voltage-clamp assay relative to control
50011381	4	ChEMBL_2018504 (CHEMBL4672082)	Inhibition of rat alpha1beta1epsilondelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response at -70 mV holding potential by two-electrode voltage-clamp assay relative to control
50011385	1	ChEMBL_2018515 (CHEMBL4672093)	Displacement of [3H]diprenorphine from human MOR incubated for 1 hr
50011385	2	ChEMBL_2018516 (CHEMBL4672094)	Agonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by FRET assay
50011386	1	ChEMBL_2018542 (CHEMBL4672120)	Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide overproduction incubated for 24 hrs by Griess assay
50011387	1	ChEMBL_2018548 (CHEMBL4672126)	Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) incubated for 60 mins by TR-FRET assay
50011391	1	ChEMBL_2018598 (CHEMBL4672176)	Positive allosteric modulatory activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in CP55940-induced beta-arrestin recruitment preincubated 90 mins followed by CP55940 addition and measured after 60 mins by PathHunter assay
50011391	2	ChEMBL_2018600 (CHEMBL4672178)	Positive allosteric modulatory activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in CP55940-induced inhibition of forskolin-stimulated cAMP production preincubated for 30 mins followed by CP55940 addition and measured after 60 mins by Hit-hunter assay
50011400	1	ChEMBL_2018688 (CHEMBL4672266)	Inhibition of Topoisomerase II beta (unknown origin) relative to control
50011400	2	ChEMBL_2018689 (CHEMBL4672267)	Inhibition of CK2 alpha (unknown origin) relative to control
50011400	3	ChEMBL_2018690 (CHEMBL4672268)	Inhibition of VEGFR-2 (unknown origin) relative to control
50011400	4	ChEMBL_2018691 (CHEMBL4672269)	Inhibition of EGFR-TK (unknown origin) relative to control
50011401	1	ChEMBL_2018810 (CHEMBL4672388)	Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis
50011401	2	ChEMBL_2018811 (CHEMBL4672389)	Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with high 200 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis
50011401	3	ChEMBL_2018812 (CHEMBL4672390)	Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and high 20 uM FAS incubated for 35 mins by MS analysis
50011401	4	ChEMBL_2018813 (CHEMBL4672391)	Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using high 10 uM hFX-CP as substrate mixture with 10 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis
50011404	1	ChEMBL_2018820 (CHEMBL4672398)	Binding affinity to Grb2-SH2 domain (unknown origin) expressed in Escherichia coli BL21 (DE23) after 1 hr by fluorescence polarization assay
50011407	1	ChEMBL_2018861 (CHEMBL4672439)	Inhibition of HCV genotype 5a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luciferase reporter gene assay
50011407	2	ChEMBL_2018862 (CHEMBL4672440)	Inhibition of HCV genotype 3a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luciferase reporter gene assay
50011407	3	ChEMBL_2018863 (CHEMBL4672441)	Inhibition of HCV genotype 4a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luciferase reporter gene assay
50011407	4	ChEMBL_2018864 (CHEMBL4672442)	Inhibition of HCV genotype 1a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luciferase reporter gene assay
50011407	5	ChEMBL_2018865 (CHEMBL4672443)	Inhibition of HCV genotype 1b NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by Celltiter Glo assay
50011407	6	ChEMBL_2018866 (CHEMBL4672444)	Inhibition of HCV genotype 2a NS5A infected in Huh7 cells assessed as reduction in viral replication incubated 3 days and measured by bright Glo-luciferase reporter gene assay
50011409	1	ChEMBL_2018883 (CHEMBL4672461)	Inhibition of ROS1 (unknown origin) using peptide substrate incubated for 60 mins in presence of ATP by HTRF assay
50011409	2	ChEMBL_2018884 (CHEMBL4672462)	Inhibition of c-Met (unknown origin) using peptide substrate incubated for 60 mins in presence of ATP by HTRF assay
50011409	3	ChEMBL_2018885 (CHEMBL4672463)	Inhibition of ALK G1202R mutant (unknown origin) using peptide substrate incubated for 60 mins in presence of ATP by HTRF assay
50011409	4	ChEMBL_2018886 (CHEMBL4672464)	Inhibition of ALK L1196M mutant (unknown origin) using peptide substrate incubated for 60 mins in presence of ATP by HTRF assay
50011409	5	ChEMBL_2018891 (CHEMBL4672469)	Inhibition of ALK (unknown origin) using peptide substrate incubated for 60 mins in presence of ATP by HTRF assay
50011410	1	ChEMBL_2018933 (CHEMBL4672511)	Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured after 4 mins in presence of NADPH
50011410	2	ChEMBL_2018934 (CHEMBL4672512)	Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins at 30 degC followed by substrate addition and measured after 4 mins in presence of NADPH
50011417	1	ChEMBL_2018941 (CHEMBL4672519)	Inhibition of wild-type ALK (unknown origin) incubated for 1 hr
50011417	2	ChEMBL_2018942 (CHEMBL4672520)	Inhibition of ALK L1196M (unknown origin) incubated for 1 hr
50011443	1	ChEMBL_2018950 (CHEMBL4672528)	Inhibition of human kidney glutaminase assessed as reduction in glutamate production in presence of NADPH-dependent glutamate dehydrogenase preincubated 60 mins by coupled biochemical assay
50011443	2	ChEMBL_2018951 (CHEMBL4672529)	Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer based assay
50011444	1	ChEMBL_2018963 (CHEMBL4672541)	Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis
50011444	2	ChEMBL_2018964 (CHEMBL4672542)	Binding affinity to N-terminal GST tagged human ATAD2 (1-20 residues) expressed in Escherichia coli by ITC analysis
50011444	3	ChEMBL_2018965 (CHEMBL4672543)	Binding affinity to N-terminal GST tagged human ATAD2 (1-25 residues) expressed in Escherichia coli by ITC analysis
50011444	4	ChEMBL_2018966 (CHEMBL4672544)	Binding affinity to N-terminal GST tagged human ATAD2 expressed in Escherichia coli by ITC analysis
50011445	1	ChEMBL_2018971 (CHEMBL4672549)	Inhibition of recombinant human CA1 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50011445	2	ChEMBL_2018972 (CHEMBL4672550)	Inhibition of recombinant human CA2 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50011445	3	ChEMBL_2018973 (CHEMBL4672551)	Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50011445	4	ChEMBL_2018974 (CHEMBL4672552)	Inhibition of recombinant human CA9 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50011446	1	ChEMBL_2018985 (CHEMBL4672563)	Inhibition of PKCtheta (unknown origin) by HTRF assay
50011446	2	ChEMBL_2019013 (CHEMBL4672591)	Inhibition of PKCdelta (unknown origin) by HTRF assay
50011450	1	ChEMBL_2019051 (CHEMBL4672629)	Inhibition of 6xHis-tagged human recombinant PDE4D3 expressed in Sf9 cells by scintillation counting method
50011450	2	ChEMBL_2019052 (CHEMBL4672630)	Inhibition of 6xHis-tagged human recombinant PDE1B1 expressed in HEK cells by scintillation counting method
50011450	3	ChEMBL_2019054 (CHEMBL4672632)	Inhibition of 6xHis-tagged human recombinant PDE2A expressed in Sf9 cells in presence of [3H]-cGMP and cGMP incubated for 40 mins by scintillation counting method
50011450	4	ChEMBL_2019055 (CHEMBL4672633)	Inhibition of 6xHis-tagged human recombinant PDE3A expressed in Sf9 cells in presence of [3H]-cAMP and cAMP incubated for 60 mins by scintillation counting method
50011450	5	ChEMBL_2019056 (CHEMBL4672634)	Inhibition of 6xHis-tagged rat recombinant PDE10A2 expressed in Sf9 cells in presence of [3H]-cAMP and cAMP incubated for 60 mins by scintillation counting method
50011450	6	ChEMBL_2019057 (CHEMBL4672635)	Inhibition of 6xHis-tagged human recombinant PDE3B expressed in Sf9 cells in presence of [3H]-cAMP and cAMP incubated for 60 mins by scintillation counting method
50011450	7	ChEMBL_2019059 (CHEMBL4672637)	Inhibition of 6xHis-tagged human recombinant PDE7A1 expressed in Sf9 cells by scintillation counting method
50011450	8	ChEMBL_2019060 (CHEMBL4672638)	Inhibition of 6xHis-tagged human recombinant PDE9A1 expressed in Sf9 cells by scintillation counting method
50011450	9	ChEMBL_2019061 (CHEMBL4672639)	Inhibition of 6xHis-tagged human recombinant PDE11A4 expressed in HEK cells by scintillation counting method
50011450	10	ChEMBL_2019072 (CHEMBL4672650)	Inhibition of CYP3A4 in human liver microsomes by LC-MS analysis
50011450	11	ChEMBL_2019073 (CHEMBL4672651)	Inhibition of CYP2C8 in human liver microsomes by LC-MS analysis
50011450	12	ChEMBL_2019074 (CHEMBL4672652)	Inhibition of CYP2C9 in human liver microsomes by LC-MS analysis
50011450	13	ChEMBL_2019075 (CHEMBL4672653)	Inhibition of CYP2C19 in human liver microsomes by LC-MS analysis
50011450	14	ChEMBL_2019076 (CHEMBL4672654)	Inhibition of CYP2D6 in human liver microsomes by LC-MS analysis
50011450	15	ChEMBL_2019077 (CHEMBL4672655)	Inhibition of CYP1A2 in human liver microsomes by LC-MS analysis
50011451	1	ChEMBL_2019091 (CHEMBL4672669)	Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay
50011451	2	ChEMBL_2019095 (CHEMBL4672673)	Inhibition of thrombin in human plasma
50011451	3	ChEMBL_2019115 (CHEMBL4672693)	Inhibition of thrombin in rat plasma
50011451	4	ChEMBL_2019116 (CHEMBL4672694)	Inhibition of thrombin in rabbit plasma
50011453	1	ChEMBL_2019154 (CHEMBL4672732)	Binding affinity to CK2alpha (unknown origin) by ITC analysis
50011454	1	ChEMBL_2019224 (CHEMBL4672802)	Inhibition of recombinant full-length His-tagged human BTK expressed in baculovirus expression system using fluoresceinated peptide as substrate incubated for 60 mins by fluorescence assay
50011454	2	ChEMBL_2019226 (CHEMBL4672804)	Inhibition of BTK in human Ramos B cells assessed as reduction in goat anti human IgM-stimulated calcium flux preincubated for 1 hr followed by goat anti human IgM addition and measured for 180 secs by FLIPR assay
50011454	3	ChEMBL_2019227 (CHEMBL4672805)	Inhibition of BTK in human whole blood assessed as reduction in goat anti human IgM/human IL4-stimulated CD69 cell surface expression on peripheral B cells incubated for 18 hrs by FACS analysis
50011454	4	ChEMBL_2019230 (CHEMBL4672808)	Inhibition of TEC (unknown origin)
50011454	5	ChEMBL_2019231 (CHEMBL4672809)	Inhibition of BLK (unknown origin)
50011454	6	ChEMBL_2019232 (CHEMBL4672810)	Inhibition of BMX (unknown origin)
50011454	7	ChEMBL_2019233 (CHEMBL4672811)	Inhibition of TXK (unknown origin)
50011454	8	ChEMBL_2019234 (CHEMBL4672812)	Inhibition of FGR (unknown origin)
50011454	9	ChEMBL_2019235 (CHEMBL4672813)	Inhibition of YES1 (unknown origin)
50011454	10	ChEMBL_2019236 (CHEMBL4672814)	Inhibition of ITK (unknown origin)
50011454	11	ChEMBL_2019266 (CHEMBL4672844)	Inhibition of human ERG by patch clamp assay
50011454	12	ChEMBL_2019269 (CHEMBL4672847)	Inhibition of CYP1A2 (unknown origin)
50011454	13	ChEMBL_2019270 (CHEMBL4672848)	Inhibition of CYP2B6 (unknown origin)
50011454	14	ChEMBL_2019271 (CHEMBL4672849)	Inhibition of CYP2D6 (unknown origin)
50011454	15	ChEMBL_2019272 (CHEMBL4672850)	Inhibition of CYP2C19 (unknown origin)
50011454	16	ChEMBL_2019273 (CHEMBL4672851)	Inhibition of CYP2C8 (unknown origin)
50011454	17	ChEMBL_2019274 (CHEMBL4672852)	Inhibition of CYP2C9 (unknown origin)
50011454	18	ChEMBL_2019275 (CHEMBL4672853)	Inhibition of CYP3A4 (unknown origin)
50011454	19	ChEMBL_2019293 (CHEMBL4672871)	Inhibition of BTK in human peripheral B cells assessed as reduction in anti-IgM/IgG-induced CD86 surface expression
50011454	20	ChEMBL_2019294 (CHEMBL4672872)	Inhibition of BTK in human peripheral B cells assessed as reduction in CD40/CD40L-induced CD86 surface expression
50011454	21	ChEMBL_2019295 (CHEMBL4672873)	Inhibition of BTK in human PBMC cells assessed as inhibition of FCepsilonR1/immune complex-induced TNFalpha production
50011454	22	ChEMBL_2019296 (CHEMBL4672874)	Inhibition of BTK in mouse whole blood assessed as reduction in anti-IgM/IgG-induced CD69 surface expression on peripheral B cells
50011454	23	ChEMBL_2019297 (CHEMBL4672875)	Inhibition of BTK in human whole blood assessed as reduction in FCepsilonR1/anti-IgE-induced CD63 surface expression on basophils
50011454	24	ChEMBL_2019301 (CHEMBL4672879)	Inhibition of JAK2 (unknown origin)
50011456	1	ChEMBL_2019363 (CHEMBL4672941)	Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay
50011456	2	ChEMBL_2019364 (CHEMBL4672942)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay
50011456	3	ChEMBL_2019368 (CHEMBL4672946)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 using supercoiled pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence assay
50011457	1	ChEMBL_2019376 (CHEMBL4672954)	Inhibition of human His-tagged IRE1alpha expressed in Sf9 insect cells preincubated for 1 hr followed by Alexa fluor 647-labeled probe addition and measured after 1 hr by TR-FRET assay
50011458	1	ChEMBL_2019377 (CHEMBL4672955)	Inhibition of N-terminal His6-tagged human recombinant GSK3beta H350L mutant expressed in baculovirus-infected Sf21 cells assessed as reduction in production of ADP using 5-FAMKRREILSRRPpSYR-COOH peptide as substrate preincubated with enzyme for 15 mins followed by further incubation with ATP for 30 mins by fluorescence-based microfluidic mobility shift assay
50011458	2	ChEMBL_2019378 (CHEMBL4672956)	Inhibition of recombinant full length wild-type CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as reduction in production of ADP using 5-FAM-QSPKKG-CONH2 peptide as substrate preincubated with enzyme for 15 mins followed by further incubation with ATP for 45 mins by fluorescence-based microfluidic mobility shift assay
50011459	1	ChEMBL_2019383 (CHEMBL4672961)	Inhibition of APOL1 (unknown origin) in HEK293 cells assessed as thallium influx incubated for 30 mins by FLIPR based thallium influx assay
50011461	1	ChEMBL_2019385 (CHEMBL4672963)	Inhibition of human Nav1.8 expressed in HEK293 cells by whole cell patch clamp assay
50011464	1	ChEMBL_2019386 (CHEMBL4672964)	Inhibition of Kca3.1 in human erythrocytes
50011466	1	ChEMBL_2019394 (CHEMBL4672972)	Displacement of fluorescent ligand from human recombinant GST-tagged ER-alpha ligand binding domain (307 to 554 residues) incubated for 15 mins by TR-FRET based competitive assay
50011468	1	ChEMBL_2019396 (CHEMBL4672974)	Inhibition of human Nav1.8 expressed in HEK cells applied electrical stimulus 10 Hz for 10 seconds measuring relaxation to the resting state followed by post stimulation by E-VIPR Assay
50011469	1	ChEMBL_2019398 (CHEMBL4672976)	Inhibition of human recombinant arginase 1 expressed in Escherichia coli using thioarginine by Ellman's assay
50011469	2	ChEMBL_2019399 (CHEMBL4672977)	Inhibition of human recombinant arginase 2 expressed in Escherichia coli using thioarginine by Ellman's assay
50011471	1	ChEMBL_2019400 (CHEMBL4672978)	Competitive binding affinity to human recombinant C-terminal Avi-tag STING using Alexa 488 probe incubated for 15 mins by FRET based assay
50011471	2	ChEMBL_2019401 (CHEMBL4672979)	Agonist activity at STING in human PBMC cells assessed as increase in IFNp by electrochemiluminescence assay
50011472	1	ChEMBL_2019402 (CHEMBL4672980)	Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins in presence of ATP by TR-FRET assay
50011472	2	ChEMBL_2019404 (CHEMBL4672982)	Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulation and measured after 5 hrs by ELISA
50011472	3	ChEMBL_2019457 (CHEMBL4673035)	Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR2-mediated LTA-induced IL-6 release preincubated for 1 hr followed by LTA stimulation and measured after 16 hrs by ELISA
50011472	4	ChEMBL_2019458 (CHEMBL4673036)	Inhibition of IRAK4 in human whole blood assessed as inhibition of IL-1R-mediated IL-1beta-induced IL-6 release preincubated for 1 hr followed by IL-1beta stimulation and measured after 16 hrs by ELISA
50011472	5	ChEMBL_2019459 (CHEMBL4673037)	Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR5-mediated FLA-ST-induced IL-6 release preincubated for 1 hr followed by FLA-ST stimulation and measured after 16 hrs by ELISA
50011472	6	ChEMBL_2019460 (CHEMBL4673038)	Inhibition of IRAK4 in human MV4-11 cells assessed as modulation of phospho-IRAK1 level by immunoblotting analysis
50011472	7	ChEMBL_2019474 (CHEMBL4673052)	Inhibition of CYP2C19 (unknown origin)
50011475	1	ChEMBL_2019487 (CHEMBL4673065)	Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA as substrate and measured every 2 mins for 50 mins by FRET assay
50011475	2	ChEMBL_2019488 (CHEMBL4673066)	Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin measured after 5 hrs by luciferase reporter gene assay
50011475	3	ChEMBL_2019489 (CHEMBL4673067)	Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P]ATP incubated for 60 mins by scintillation counting method
50011478	1	ChEMBL_2019496 (CHEMBL4673074)	Competitive binding affinity to human RXFP4 receptor transfected in CHO-K1 cells in presence of europium-labeled Eu(A)-R3/I5 by fluorometric analysis
50011478	2	ChEMBL_2019497 (CHEMBL4673075)	Agonist activity at human RXFP4 transfected in CHO-K1 cells co-transfected with pCRE-beta-galactosidase reporter plasmid assessed as inhibition of forskolin-induced cAMP accumulation measured after 6 hrs by beta-galactosidase reporter gene assay
50011480	1	ChEMBL_2019500 (CHEMBL4673078)	Inhibition of N-terminal His6 tagged recombinant full-length human PI3Kdelta/human recombinant full-length p85alpha expressed in baculovirus infected Sf21 cells assessed as reduction in PIP3 product formation using PIP2 as substrate preincubated with enzyme for 15 mins followed by further incubation with substrate and ATP for 1 hr by HTRF assay
50011480	2	ChEMBL_2019502 (CHEMBL4673080)	Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-induced AKT phosphorylation at Ser473 residue preincubated for 20 mins followed by anti-IgM stimulation for 30 mins
50011480	3	ChEMBL_2019503 (CHEMBL4673081)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-CD79b antibody-induced CD69 expression preincubated for 60 mins followed by anti-CD79b antibody stimulation for 3 hrs by FACS analysis
50011480	4	ChEMBL_2019520 (CHEMBL4673098)	Inhibition of human ERG
50011480	5	ChEMBL_2019521 (CHEMBL4673099)	Inhibition of Nav1.5 (unknown origin)
50011480	6	ChEMBL_2019522 (CHEMBL4673100)	Inhibition of Cav1.2 (unknown origin)
50011480	7	ChEMBL_2019523 (CHEMBL4673101)	Inhibition of CYP2C8 (unknown origin)
50011480	8	ChEMBL_2019524 (CHEMBL4673102)	Inhibition of CYP2C9 (unknown origin)
50011480	9	ChEMBL_2019525 (CHEMBL4673103)	Inhibition of CYP2D6 (unknown origin)
50011480	10	ChEMBL_2019526 (CHEMBL4673104)	Inhibition of CYP3A4 (unknown origin)
50011481	1	ChEMBL_2019530 (CHEMBL4673108)	Inverse agonist activity at human CB1 receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation after 30 mins by HTRF assay
50011481	2	ChEMBL_2019531 (CHEMBL4673109)	Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation after 30 mins by HTRF assay
50011486	1	ChEMBL_2019537 (CHEMBL4673115)	Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) by reporter gene assay
50011486	2	ChEMBL_2019538 (CHEMBL4673116)	Inverse agonist activity at RORgammat in human whole blood assessed as IL-17 production by ELISA
50011486	3	ChEMBL_2019542 (CHEMBL4673120)	Inverse agonist activity at PXR (unknown origin)
50011486	4	ChEMBL_2019543 (CHEMBL4673121)	Inverse agonist activity at LXRbeta (unknown origin)
50011486	5	ChEMBL_2019544 (CHEMBL4673122)	Inverse agonist activity at Gal4-fused RORalpha (unknown origin)
50011486	6	ChEMBL_2019545 (CHEMBL4673123)	Inverse agonist activity at Gal4-fused RORbeta (unknown origin)
50011486	7	ChEMBL_2019546 (CHEMBL4673124)	Inverse agonist activity at RORgammat in mouse Th17 cells
50011486	8	ChEMBL_2019547 (CHEMBL4673125)	Inverse agonist activity at LXRalpha (unknown origin)
50011486	9	ChEMBL_2019548 (CHEMBL4673126)	Inhibition of CYP1A2 (unknown origin)
50011486	10	ChEMBL_2019549 (CHEMBL4673127)	Inhibition of CYP2C8 (unknown origin)
50011486	11	ChEMBL_2019550 (CHEMBL4673128)	Inhibition of CYP2C9 (unknown origin)
50011486	12	ChEMBL_2019551 (CHEMBL4673129)	Inhibition of CYP2C19 (unknown origin)
50011486	13	ChEMBL_2019552 (CHEMBL4673130)	Inhibition of CYP2D6 (unknown origin)
50011486	14	ChEMBL_2019553 (CHEMBL4673131)	Inhibition of CYP3A4 (unknown origin)
50011488	1	ChEMBL_2019646 (CHEMBL4673459)	Inhibition of Plasmodium falciparum enoyl-ACP reductase using crotonoyl-CoA as substrate by UV-Vis spectrophotometric method
50011491	1	ChEMBL_2019674 (CHEMBL4673487)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Ellman's method
50011493	1	ChEMBL_2019682 (CHEMBL4673495)	Inhibition of CDK4 (unknown origin)
50011493	2	ChEMBL_2019683 (CHEMBL4673496)	Inhibition of ERBB2 (unknown orgin)
50011495	1	ChEMBL_2019728 (CHEMBL4673541)	Inhibition of human recombinant LSD1 using ARTK(diMe)QTARKSTGGKAPRKQLA as substrate incubated for 30 mins by fluorometric analysis
50011495	2	ChEMBL_2019729 (CHEMBL4673542)	Inhibition of LSD1 (unknown origin) (157 to 852 residues) expressed in Escherichia coli BL21(DE) cells using H3K4me2 as substrate by horseradish peroxidase-coupled amplex red reagent-based fluorometric assay
50011495	3	ChEMBL_2019732 (CHEMBL4673545)	Inhibition of LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) cells using H3K4me2 as substrate incubated for 30 mins by horseradish peroxidase-coupled amplex red reagent-based fluorometric assay
50011495	4	ChEMBL_2019733 (CHEMBL4673546)	Inhibition of human LSD1 (158 to end residues) expressed in Escherichia coli preincubated for 15 mins followed by H3K4me2 peptide addition and measured after 60 mins by alphaLISA assay
50011495	5	ChEMBL_2019734 (CHEMBL4673547)	Inhibition of LSD1 (unknown origin) expressed in human MGC-803 cells incubated for 5 days by DAPI staining based immunofluorescence method
50011495	6	ChEMBL_2019735 (CHEMBL4673548)	Binding affinity to LSD1/CoREST (unknown origin) expressed in Escherichia coli
50011495	7	ChEMBL_2019736 (CHEMBL4673549)	Inhibition of human LSD1 preincubated for 10 mins followed by H3(1-20)K4-dimethylated (K4me2) peptide substrate addition and measured after 30 mins by peroxidase-coupled reaction method
50011495	8	ChEMBL_2019738 (CHEMBL4673551)	Inhibition of human recombinant LSD1 (158 to end residues) expressed in Escherichia coli using dimethylated H3K4 peptide as substrate by horseradish peroxidase-coupled amplex red reagent-based fluorometric assay
50011495	9	ChEMBL_2019740 (CHEMBL4673553)	Inhibition of C-terminal His/FLAG-tagged human HDAC1 expressed in Sf9 insect cells using acetylated P53(379-382 residues) (RHKK(Ac)) as substrate incubated for 30 mins by fluorescence method
50011495	10	ChEMBL_2019741 (CHEMBL4673554)	Inhibition of LSD1/FLAG-tagged CoREST (unknown origin) expressed in HEK293F cells using diMeK4H3(1 to 21 residues) as substrate preincubated for 5 mins followed by substrate addition by horseradish peroxidase-coupled assay
50011497	1	ChEMBL_2019757 (CHEMBL4673570)	Agonist activity at rat NTR1 expressed in CHO cells assessed as effect on [3H] phosphoinositide accumulation using neurotensin (1 to 13 residues) as substrate by radioactive assay
50011497	2	ChEMBL_2019758 (CHEMBL4673571)	Activation of human MrgprX1 expressed in BAM 8-22 activated-rat KNRK cells by fura2-AM dye based calcium imaging assay
50011497	3	ChEMBL_2019759 (CHEMBL4673572)	Modulation of rat ASIC3 expressed in Xenopus laevis oocytes at -70 mV holding potential by two-electrode voltage clamp method
50011497	4	ChEMBL_2019761 (CHEMBL4673574)	Agonist activity at human V1bR expressed in African green monkey COS-1 cells assessed as increase in intracellular calcium response by FLIPR assay
50011497	5	ChEMBL_2019764 (CHEMBL4673577)	Activation of human IR-B expressed in mouse NIH3T3 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 30 mins by HTRF method
50011500	1	ChEMBL_2019791 (CHEMBL4673604)	Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid beta42 level
50011500	2	ChEMBL_2019792 (CHEMBL4673605)	Modulation of gamma-secretase in human H4 cells expressing human APP assessed as reduction in amyloid beta42 level incubated for 22 hrs
50011500	3	ChEMBL_2019805 (CHEMBL4673618)	Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as increase in amyloid beta38 level incubated for 17 hrs by ELISA
50011500	4	ChEMBL_2019806 (CHEMBL4673619)	Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated for 17 hrs by ELISA
50011500	5	ChEMBL_2019809 (CHEMBL4673622)	Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated for 16 to 18 hrs by sandwich ELISA
50011502	1	ChEMBL_2019828 (CHEMBL4673641)	Inhibition of human ERK8 (2 to 544 residues) incubated for 5 mins in presence of [gamma33P]ATP by scintillation counting analysis
50011502	2	ChEMBL_2019829 (CHEMBL4673642)	Inhibition of human p38beta MAPK (1 to 364 residues) incubated for 5 mins in presence of [gamma33P]ATP by scintillation counting analysis
50011503	1	ChEMBL_2019849 (CHEMBL4673662)	Inhibition of human His-tagged GOAT expressed in baculovirus infected Sf9 cell membrane using desacyl-ghrelin-biotin and octanoyl-CoA as substrate incubated for 1 hr by ELISA
50011503	2	ChEMBL_2019850 (CHEMBL4673663)	Inhibition of GHSR-1A (unknown origin)
50011503	3	ChEMBL_2019851 (CHEMBL4673664)	Inhibition of GOAT (unknown origin)
50011503	4	ChEMBL_2019852 (CHEMBL4673665)	Inhibition of human GOAT expressed in baculovirus infected sf9 insect cell membrane using GSSFLC-acrylodan and octanoyl-CoA as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50011503	5	ChEMBL_2019853 (CHEMBL4673666)	Inhibition of GOAT (unknown origin) by fluorescence-based assay
50011503	6	ChEMBL_2019854 (CHEMBL4673667)	Inhibition of mouse GOAT expressed in baculovirus infected sf9 insect cell microsomes using biotinylated des-acyl ghrelin and octanoyl-CoA -CoA as substrate incubated for 15 mins by HTRF assay
50011503	7	ChEMBL_2019855 (CHEMBL4673668)	Inhibition of human GOAT expressed in baculovirus infected sf9 insect cell microsomes using biotinylated des-acyl ghrelin and octanoyl-CoA as substrate incubated for 15 mins by HTRF assay
50011503	8	ChEMBL_2019856 (CHEMBL4673669)	Antagonist activity at mouse GOAT expressed in baculovirus infected sf9 insect cell membrane using ghrelin(1 to 5) pentapeptide as substrate preincubated for 5 mins followed by Palmitoyl-CoA and n-octynoyl-CoA addition and measured after 5 mins by amplex red/H2O2 reagent-based fluorescence method
50011503	9	ChEMBL_2019857 (CHEMBL4673670)	Inhibition of N-terminal His10-tagged mouse GOAT expressed in baculovirus infected sf9 insect cell membrane using proghrelin-His8 and [3H]octanoyl CoA as substrate by scintillation counting method
50011503	10	ChEMBL_2019860 (CHEMBL4673673)	Inhibition of human His-tagged GOAT expressed in baculovirus infected Sf9 cell membrane using biotinylated ghrelin peptide/octanoyl-CoA/palmitoyl CoA as substrate incubated for 80 mins by TR-FRET assay
50011503	11	ChEMBL_2019861 (CHEMBL4673674)	Inhibition of human GOAT expressed in HEK293 cells harboring -preproghrelin in presence of Octanoate-BSA incubated for 5 hr by ELISA
50011504	1	ChEMBL_2019867 (CHEMBL4673680)	Inhibition of JAK3 (unknown origin)
50011504	2	ChEMBL_2019868 (CHEMBL4673681)	Inhibition of N-terminal GST-tagged human VEGFR2 (805 to 1356 residues) expressed in a baculovirus infected Sf9 insect cell incubated for 45 mins by Kinase-Glo max reagent-based luminescence assay
50011504	3	ChEMBL_2019869 (CHEMBL4673682)	Inhibition of human AXL using poly [Glu, Tyr] 4:1 as substrate in presence of [gamma33P]-ATP by radioisotope-based assay
50011504	4	ChEMBL_2019871 (CHEMBL4673684)	Inhibition of human JAK3 expressed in baculovirus expression system using TK-substrate-biotin as substrate preincubated for 5 mins followed by ATP and substrate addition and measured after 60 mins by HTRF method
50011504	5	ChEMBL_2019872 (CHEMBL4673685)	Inhibition of EGFR (unknown origin) by Kinase-Glo luminescence assay
50011504	6	ChEMBL_2019873 (CHEMBL4673686)	Inhibition of human HER2 using Biotin- FLT3 (Tyr589) peptide as substrate preincubated for 5 mins followed by ATP/substrate addition and measured after 30 mins
50011504	7	ChEMBL_2019877 (CHEMBL4673690)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate in presence of [gamma33P]ATP
50011504	8	ChEMBL_2019878 (CHEMBL4673691)	Inhibition of PI3K-gamma (unknown origin) by HTRF assay
50011504	9	ChEMBL_2019879 (CHEMBL4673692)	Inhibition of PI3K-delta (unknown origin) by HTRF assay
50011504	10	ChEMBL_2019880 (CHEMBL4673693)	Inhibition of PI3K-beta (unknown origin) by HTRF assay
50011504	11	ChEMBL_2019881 (CHEMBL4673694)	Inhibition of PI3K-alpha (unknown origin) by HTRF assay
50011504	12	ChEMBL_2019883 (CHEMBL4673696)	Inhibition of EGFR (unknown origin)
50011504	13	ChEMBL_2019884 (CHEMBL4673697)	Inhibition of mTOR (unknown origin) by LanthaScreen assay
50011505	1	ChEMBL_2019924 (CHEMBL4673737)	Inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrate
50011508	1	ChEMBL_2019937 (CHEMBL4673750)	Inhibition of human DHFR
50011509	1	ChEMBL_2019949 (CHEMBL4673762)	Binding affinity to DOR (unknown origin)
50011509	2	ChEMBL_2019950 (CHEMBL4673763)	Binding affinity to KOR (unknown origin)
50011509	3	ChEMBL_2019951 (CHEMBL4673764)	Binding affinity to MOR (unknown origin)
50011509	4	ChEMBL_2019953 (CHEMBL4673766)	Displacement of [3H]-pentazocine from guinea pig brain sigma 1 receptor incubated for 120 mins by liquid scintillation counting method
50011509	5	ChEMBL_2019954 (CHEMBL4673767)	Displacement of [3H]-DTG from Sprague-Dawley rat liver sigma 2 receptor incubated for 120 mins by liquid scintillation counting method
50011509	6	ChEMBL_2019955 (CHEMBL4673768)	Displacement of [3H]-pentazocine from guinea pig brain sigma 1 receptor incubated for 8 hrs by liquid scintillation counting method
50011510	1	ChEMBL_2019974 (CHEMBL4673787)	Displacement of [3H]-HEMADO from human A3 receptor expressed in CHO cell membrane by radioligand binding assay
50011510	2	ChEMBL_2019975 (CHEMBL4673788)	Antagonist activity at human A2B receptor expressed in CHO cell membrane assessed as reduction in NECA-stimulated adenylyl cyclase activity in presence of [alpha32P]ATP
50011510	3	ChEMBL_2019976 (CHEMBL4673789)	Displacement of [3H]-NECA from human A2A receptor expressed in CHO cell membrane by radioligand binding assay
50011510	4	ChEMBL_2019977 (CHEMBL4673790)	Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membrane by radioligand binding assay
50011511	1	ChEMBL_2020002 (CHEMBL4673815)	Binding affinity to MTH1 in human K562 cells assessed as thermal stabilization preincubated for 30 mins followed by heating at 52 degree C for 3 mins by CETSA-based Western blot analysis
50011511	2	ChEMBL_2020004 (CHEMBL4673817)	Binding affinity to recombinant His-tagged MTH1 isoform p18 (M1 to V156 residues) (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50011511	3	ChEMBL_2020016 (CHEMBL4673829)	Agonist activity at TLR7 in human PBMC assessed as induction of IN-12 stimulation
50011511	4	ChEMBL_2020017 (CHEMBL4673830)	Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by PPiLight detection reagent based luminescence assay
50011512	1	ChEMBL_2020021 (CHEMBL4673834)	Inhibition of recombinant wild-type human COMT expressed in Escherichia coli BL21 using 4-nitrocatechol-Alexa488 as substrate in presence of cofactor SAM preincubated for 1 min followed by substrate addition and measured every 60 sec up to 180 times by fluorescence based microtiter plate reader analysis
50011512	2	ChEMBL_2020022 (CHEMBL4673835)	Binding affinity to human wild-type SUMO-tagged catechol O-methyltransferase assessed as dissociation constant by surface plasmon resonance analysis
50011513	1	ChEMBL_2020023 (CHEMBL4673836)	Inhibition of DYRK1A (unknown origin) by [33P]-ATP filter binding kinase assay
50011514	1	ChEMBL_2020029 (CHEMBL4673842)	Binding affinity to His-Z-tagged SPF45 (unknown origin) UHM domain expressed in Escherichia coli BL21 (DE3) cells by ITC analysis
50011515	1	ChEMBL_2020039 (CHEMBL4673852)	Inhibition of recombinant SETD8 catalytic domain (unknown origin) (232 to 393 residues) expressed in Escherichia coli assessed as reduction in incorporation of [3H]-labeled methyl group into biotinylated H4 (1 to 24) peptide measured after 5 hrs using [3H-SAM] by scintillation proximity assay
50011515	2	ChEMBL_2020042 (CHEMBL4673855)	Binding affinity to recombinant SETD8 catalytic domain (unknown origin) (232 to 393 residues) expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetric method
50011515	3	ChEMBL_2020043 (CHEMBL4673856)	Inhibition of recombinant SETD8 catalytic domain (unknown origin) (232 to 393 residues) expressed in Escherichia coli assessed as reduction in incorporation of [3H]-labeled methyl group into biotinylated H4 (1 to 24) peptide measured after 1 hr using [3H-SAM] by scintillation proximity assay
50011516	1	ChEMBL_2020055 (CHEMBL4673868)	Inhibition of recombinant human HDAC6 expressed in baculovirus infected sf9 cells using fluor-de-Lys-SIRT1 as substrate by fluorescence method
50011516	2	ChEMBL_2020056 (CHEMBL4673869)	Inhibition of human recombinant full length HDAC6 expressed in baculovirus infected sf9 insect cells using p53 fluorogenic peptide (379 to 382 residues) (RHKKAc) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50011516	3	ChEMBL_2020057 (CHEMBL4673870)	Inhibition of human recombinant full length HDAC2 expressed in baculovirus infected sf9 insect cells using p53 fluorogenic peptide (379 to 382 residues) (RHKKAc) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50011516	4	ChEMBL_2020058 (CHEMBL4673871)	Inhibition of human recombinant full length HDAC1 expressed in baculovirus infected sf9 insect cells using p53 fluorogenic peptide (379 to 382 residues) (RHKKAc) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50011516	5	ChEMBL_2020060 (CHEMBL4673873)	Inhibition of human HDAC6 incubated for 30 mins by fluorescence method
50011516	6	ChEMBL_2020062 (CHEMBL4673875)	Inhibition of HDAC10 (unknown origin)
50011516	7	ChEMBL_2020064 (CHEMBL4673877)	Inhibition of HDAC7 (unknown origin)
50011516	8	ChEMBL_2020065 (CHEMBL4673878)	Inhibition of HDAC9 (unknown origin)
50011516	9	ChEMBL_2020066 (CHEMBL4673879)	Inhibition of HDAC5 (unknown origin)
50011516	10	ChEMBL_2020067 (CHEMBL4673880)	Inhibition of HDAC4 (unknown origin)
50011516	11	ChEMBL_2020068 (CHEMBL4673881)	Inhibition of HDAC3 (unknown origin)
50011516	12	ChEMBL_2020069 (CHEMBL4673882)	Inhibition of HDAC1 (unknown origin)
50011516	13	ChEMBL_2020070 (CHEMBL4673883)	Inhibition of HDAC2 (unknown origin)
50011516	14	ChEMBL_2020071 (CHEMBL4673884)	Inhibition of HDAC11 (unknown origin)
50011516	15	ChEMBL_2020072 (CHEMBL4673885)	Inhibition of HDAC8 (unknown origin)
50011516	16	ChEMBL_2020073 (CHEMBL4673886)	Inhibition of HDAC6 (unknown origin)
50011516	17	ChEMBL_2020074 (CHEMBL4673887)	Inhibition of human HDAC7 using fluorogenic HDAC substrate incubated for 45 mins by fluorimetry
50011516	18	ChEMBL_2020075 (CHEMBL4673888)	Inhibition of human HDAC9 using fluorogenic HDAC substrate incubated for 30 mins by fluorimetry
50011516	19	ChEMBL_2020076 (CHEMBL4673889)	Inhibition of human HDAC8 using fluorogenic HDAC substrate incubated for 60 mins by fluorimetry
50011516	20	ChEMBL_2020077 (CHEMBL4673890)	Inhibition of human HDAC5 using fluorogenic HDAC substrate incubated for 30 mins by fluorimetry
50011516	21	ChEMBL_2020078 (CHEMBL4673891)	Inhibition of human HDAC4 using fluorogenic HDAC substrate incubated for 30 mins by fluorimetry
50011516	22	ChEMBL_2020079 (CHEMBL4673892)	Inhibition of human HDAC11 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence method
50011516	23	ChEMBL_2020080 (CHEMBL4673893)	Inhibition of human HDAC10 using fluorogenic HDAC substrate incubated for 45 mins by fluorimetry
50011516	24	ChEMBL_2020081 (CHEMBL4673894)	Inhibition of human HDAC3 using fluorogenic HDAC substrate incubated for 10 mins by spectrophotometric method
50011516	25	ChEMBL_2020082 (CHEMBL4673895)	Inhibition of human HDAC2 using fluorogenic HDAC substrate incubated for 15 mins by fluorimetry
50011516	26	ChEMBL_2020083 (CHEMBL4673896)	Inhibition of human HDAC6 using fluorogenic HDAC substrate incubated for 30 mins by fluorimetry
50011516	27	ChEMBL_2020091 (CHEMBL4673904)	Inhibition of human HDAC1 using fluorogenic HDAC substrate incubated for 15 mins by fluorimetry
50011516	28	ChEMBL_2020095 (CHEMBL4673908)	Inhibition of human HDAC2 using p53 fluorogenic peptide (379 to 382 residues) RHKKAc as substrate by fluorescence-based assay
50011516	29	ChEMBL_2020096 (CHEMBL4673909)	Inhibition of human HDAC6 using p53 fluorogenic peptide (379 to 382 residues) RHKKAc as substrate by fluorescence-based assay
50011516	30	ChEMBL_2020097 (CHEMBL4673910)	Inhibition of human HDAC1 using p53 fluorogenic peptide (379 to 382 residues) RHKKAc as substrate by fluorescence-based assay
50011516	31	ChEMBL_2020099 (CHEMBL4673912)	Inhibition of N-terminal GST-tagged human full length HDAC6 expressed in baculovirus infected sf9 insect cells using fluorogenic HDAC substrate3 as substrate incubated for 30 mins by
50011516	32	ChEMBL_2020103 (CHEMBL4673916)	Inhibition of HDAC6 (unknown origin) using (AMC)-labelled p53 peptide( 379 to 382 residues) RHKKAc as substrate
50011516	33	ChEMBL_2020104 (CHEMBL4673917)	Inhibition of HDAC1 (unknown origin) using (AMC)-labelled p53 peptide( 379 to 382 residues) RHKKAc as substrate
50011516	34	ChEMBL_2020107 (CHEMBL4673920)	Inhibition of human full-length recombinant HDAC6 using fluorogenic peptide 79-382 (RHKK(Ac)) as substrate by fluorescence method
50011516	35	ChEMBL_2020108 (CHEMBL4673921)	Inhibition of human full-length recombinant HDAC1 using p53 fluorogenic peptide (79 to 382 residues) (RHKK(Ac)) as substrate by fluorescence method
50011516	36	ChEMBL_2020109 (CHEMBL4673922)	Inhibition of human full-length recombinant HDAC2 using fluorogenic peptide (79 to 382 residues) (RHKK(Ac)) as substrate by fluorescence method
50011516	37	ChEMBL_2020110 (CHEMBL4673923)	Inhibition of HDAC in human HeLa cell extracts using Fluor de lys as substrate incubated for 30 mins by fluorimetric analysis
50011516	38	ChEMBL_2020112 (CHEMBL4673925)	Inhibition of HDAC8 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	39	ChEMBL_2020113 (CHEMBL4673926)	Inhibition of human sirtuin 2 using fluoro-lysine sirtuin 2 deacetylase as substrate incubated for 60 mins by fluorimetry
50011516	40	ChEMBL_2020115 (CHEMBL4673928)	Inhibition of human sirtuin 1 using fluorogenic HDAC substrate incubated for 20 mins by fluorimetry
50011516	41	ChEMBL_2020116 (CHEMBL4673929)	Inhibition of human HDAC11 using fluorogenic HDAC substrate incubated for 30 mins by fluorimetry
50011516	42	ChEMBL_2020117 (CHEMBL4673930)	Inhibition of HDAC9 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	43	ChEMBL_2020118 (CHEMBL4673931)	Inhibition of HDAC7 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	44	ChEMBL_2020119 (CHEMBL4673932)	Inhibition of HDAC5 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	45	ChEMBL_2020120 (CHEMBL4673933)	Inhibition of HDAC4 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	46	ChEMBL_2020126 (CHEMBL4673939)	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	47	ChEMBL_2020127 (CHEMBL4673940)	Inhibition of human HDAC2 expressed in Sf9 insect cells using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	48	ChEMBL_2020128 (CHEMBL4673941)	Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs
50011516	49	ChEMBL_2020129 (CHEMBL4673942)	Inhibition of N-terminal Flag tagged- human HDAC10 (2 to 631 amino acids) expressed in baculovirus infected Sf9 cells using Fluor deLys substrate by fluorescence method
50011516	50	ChEMBL_2020130 (CHEMBL4673943)	Inhibition of human HDAC6 (unknown origin) using Fluor deLys substrate by fluorescence method
50011516	51	ChEMBL_2020131 (CHEMBL4673944)	Inhibition of human HDAC5 using Fluor deLys substrate by fluorescence method
50011516	52	ChEMBL_2020132 (CHEMBL4673945)	Inhibition of human HDAC4 expressed in sf9 cells using Fluor deLys substrate by fluorescence method
50011516	53	ChEMBL_2020134 (CHEMBL4673947)	Inhibition of Flag-tagged HDAC6 (unknown origin) expressed in 293T cells using ZMAL as substrate incubated for 180 mins by fluorescence method
50011516	54	ChEMBL_2020136 (CHEMBL4673949)	Inhibition of Flag-tagged HDAC1 (unknown origin) expressed in 293T cells using ZMAL as substrate incubated for 180 mins by fluorescence method
50011516	55	ChEMBL_2020137 (CHEMBL4673950)	Inhibition of recombinant human HDAC6 expressed in baculovirus expression system using AMC-K(Ac)GL as substrate by fluorescence method
50011517	1	ChEMBL_2020180 (CHEMBL4673993)	Inhibition of recombinant CYP2C8 (unknown origin)
50011517	2	ChEMBL_2020182 (CHEMBL4673995)	Inhibition of CYP2D6 (unknown origin)
50011517	3	ChEMBL_2020183 (CHEMBL4673996)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50011517	4	ChEMBL_2020184 (CHEMBL4673997)	Inhibition of CYP2C19 (unknown origin)
50011517	5	ChEMBL_2020185 (CHEMBL4673998)	Inhibition of CYP1A2 (unknown origin)
50011517	6	ChEMBL_2020186 (CHEMBL4673999)	Agonist activity at mouse GPR40 assessed as increase in intracellular calcium level
50011517	7	ChEMBL_2020193 (CHEMBL4674006)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50011517	8	ChEMBL_2020215 (CHEMBL4674028)	Agonist activity at GPR40 receptor in rat INS1(832/13) cells assessed as induction of IP1 accumulation
50011517	9	ChEMBL_2020219 (CHEMBL4674032)	Agonist activity at rat GPR40 receptor expressed in CHOK1 cells assessed as induction of IP1 accumulation
50011517	10	ChEMBL_2020223 (CHEMBL4674036)	Agonist activity at human GPR40 receptor expressed in CHOK1 cells assessed as induction of IP1 accumulation
50011517	11	ChEMBL_2020254 (CHEMBL4674067)	Agonist activity at rat GPR40 transfected in HEK293 cells assessed as increase in intracellular calcium level incubated for 1 hr by Fluo-8 dye based fluorescence analysis
50011517	12	ChEMBL_2020255 (CHEMBL4674068)	Agonist activity at human GPR40 transfected in HEK293 cells assessed as increase in intracellular calcium level incubated for 1 hr by Fluo-8 dye based fluorescence analysis
50011518	1	ChEMBL_2020256 (CHEMBL4674069)	Inhibition of human KHS using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay relative to control
50011518	2	ChEMBL_2020257 (CHEMBL4674070)	Inhibition of human HGK using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay
50011518	3	ChEMBL_2020258 (CHEMBL4674071)	Inhibition of human GCK using MBP as substrate by [gamma-33P]-ATP assay
50011518	4	ChEMBL_2020259 (CHEMBL4674072)	Inhibition of human HPK1 using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay
50011518	5	ChEMBL_2020261 (CHEMBL4674074)	Inhibition of GLK (unknown origin)
50011518	6	ChEMBL_2020698 (CHEMBL4674511)	Inhibition of GLK in human T cells assessed as reduction in PKCtheta phosphorylation by Western blot analysis
50011518	7	ChEMBL_2020699 (CHEMBL4674512)	Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphorylation by ELISA
50011518	8	ChEMBL_2020700 (CHEMBL4674513)	Inhibition of GLK (unknown origin) by alphascreen assay
50011519	1	ChEMBL_2020729 (CHEMBL4674542)	Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 assessed as inhibition constant using nitrocefin as substrate measured after 30 mins
50011519	2	ChEMBL_2020733 (CHEMBL4674546)	Inhibition of wild type N-terminal His6-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21 using nitrocefin as substrate measured after 30 mins
50011519	3	ChEMBL_2020810 (CHEMBL4674623)	Inhibition of Klebsiella pneumoniae NDM-1
50011521	1	ChEMBL_2020811 (CHEMBL4674624)	Inhibition of USP30 (unknown origin)
50011521	2	ChEMBL_2020812 (CHEMBL4674625)	Inhibition of USP1 (unknown origin)
50011521	3	ChEMBL_2020813 (CHEMBL4674626)	Inhibition of USP8 (unknown origin)
50011521	4	ChEMBL_2020814 (CHEMBL4674627)	Inhibition of USP9 (unknown origin)
50011521	5	ChEMBL_2020815 (CHEMBL4674628)	Inhibition of USP30 (unknown origin) using Ubiquitin-Rhodamine110-Glycine as substrate incubated for 15 mins followed by substrate addition and measured after 2 hrs by fluorescence based assay
50011523	1	ChEMBL_2020919 (CHEMBL4674732)	Inhibition of DYRK1a (unknown origin)
50011526	1	ChEMBL_2020938 (CHEMBL4674751)	Inhibition of ALK L1196M mutant (unknown origin)
50011526	2	ChEMBL_2020939 (CHEMBL4674752)	Inhibition of CD74-ROS1 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell viability
50011526	3	ChEMBL_2020940 (CHEMBL4674753)	Inhibition of ROS1 (unknown origin)
50011526	4	ChEMBL_2020941 (CHEMBL4674754)	Inhibition of SLC34A2-ROS1 (unknown origin) expressed in human HCC78 cells assessed as reduction in cell viability
50011527	1	ChEMBL_2020972 (CHEMBL4674785)	Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based competitive binding TR-FRET assay
50011527	2	ChEMBL_2020973 (CHEMBL4674786)	Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assay
50011528	1	ChEMBL_2021080 (CHEMBL4674893)	Inhibition of human Trk-A using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50011528	2	ChEMBL_2021081 (CHEMBL4674894)	Inhibition of human FGFR4 using using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50011528	3	ChEMBL_2021395 (CHEMBL4675208)	Inhibition of human TIE2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50011529	1	ChEMBL_2021427 (CHEMBL4675240)	Inhibition of human CYP1A1 expressed in HEK293 cells assessed as reduction in CYP1A1 mediated B[alpha]P-7,8- dihydrodiol induced-toxicity by measuring EC50 at 3 times of IC50 concentration by MTT assay (Rvb = 1.4 +/ 0.4 uM)
50011529	2	ChEMBL_2021428 (CHEMBL4675241)	Inhibition of human CYP3A4 expressed in Sacchrosomes using dibenzylfluorescein as substrate by fluorescence based assay
50011529	3	ChEMBL_2021429 (CHEMBL4675242)	Inhibition of human CYP2E1 expressed in Sacchrosomes by fluorescence based assay
50011529	4	ChEMBL_2021430 (CHEMBL4675243)	Inhibition of human CYP2D6 expressed in Sacchrosomes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate by fluorescence based assay
50011529	5	ChEMBL_2021431 (CHEMBL4675244)	Inhibition of human CYP2C19 expressed in Sacchrosomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence based assay
50011529	6	ChEMBL_2021432 (CHEMBL4675245)	Inhibition of human CYP2C18 expressed in Sacchrosomes by fluorescence based assay
50011529	7	ChEMBL_2021433 (CHEMBL4675246)	Inhibition of human CYP2C9 expressed in Sacchrosomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence based assay
50011529	8	ChEMBL_2021434 (CHEMBL4675247)	Inhibition of human CYP2C8 expressed in Sacchrosomes by fluorescence based assay
50011529	9	ChEMBL_2021435 (CHEMBL4675248)	Inhibition of human CYP2B6 expressed in Sacchrosomes by fluorescence based assay
50011529	10	ChEMBL_2021436 (CHEMBL4675249)	Inhibition of human CYP2A6 expressed in Sacchrosomes by fluorescence based assay
50011529	11	ChEMBL_2021437 (CHEMBL4675250)	Inhibition of human CYP1A2 expressed in Sacchrosomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence based assay
50011529	12	ChEMBL_2021438 (CHEMBL4675251)	Inhibition of human CYP1B1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate additon and measured after 60 mins by fluorescence based assay
50011529	13	ChEMBL_2021439 (CHEMBL4675252)	Inhibition of human CYP1A1 expressed in human HEK293 cells using 7-ethoxyresorufin as substrate preincubated for 30 mins followed by substrate additon and measured after 60 mins by fluorescence based assay
50011529	14	ChEMBL_2021440 (CHEMBL4675253)	Inhibition of human CYP1B1 expressed in sacchrosomes using 7-ethoxyresorufin as substrate by fluorescence based assay
50011529	15	ChEMBL_2021441 (CHEMBL4675254)	Inhibition of human CYP1A1 expressed in sacchrosomes using 7-ethoxyresorufin as substrate by fluorescence based assay
50011531	1	ChEMBL_2021451 (CHEMBL4675264)	Inhibition of wild type human CBS expressed in HEK293T cells assessed as reduction in H2S contents
50011531	2	ChEMBL_2021452 (CHEMBL4675265)	Inhibition of human CSE R119K mutant expressed in HEK293T cells assessed as reduction in H2S contents
50011531	3	ChEMBL_2021453 (CHEMBL4675266)	Inhibition of human CSE Y114F mutant expressed in HEK293T cells assessed as reduction in H2S contents
50011531	4	ChEMBL_2021454 (CHEMBL4675267)	Inhibition of human CSE R119A mutant expressed in HEK293T cells assessed as reduction in H2S contents
50011531	5	ChEMBL_2021458 (CHEMBL4675271)	Inhibition of wild type human CSE expressed in HEK293T cells assessed as reduction in H2S contents
50011531	6	ChEMBL_2021467 (CHEMBL4675280)	Inhibition of CSE in mouse RAW264.7 cells assessed as reduction in endogenous H2S level by AzMC probe based fluorescence assay
50011531	7	ChEMBL_2021475 (CHEMBL4675288)	Competitive inhibition of human CSE using varying levels of L-Cys as substrate and fixed PLP levels
50011531	8	ChEMBL_2021478 (CHEMBL4675291)	Binding affinity to human CSE by ITC analysis
50011531	9	ChEMBL_2021479 (CHEMBL4675292)	Inhibition of human CSE by methylene blue method
50011531	10	ChEMBL_2021480 (CHEMBL4675293)	Non-covalent reversible inhibition of human CSE
50011531	11	ChEMBL_2021481 (CHEMBL4675294)	Inhibition of CBS (unknown origin) by AzMC based fluorescence assay
50011531	12	ChEMBL_2021482 (CHEMBL4675295)	Inhibition of human CBS by methylene blue method
50011531	13	ChEMBL_2021483 (CHEMBL4675296)	Inhibition of human CSE using H-Cys as the substrate by tandem well based HTS assay
50011531	14	ChEMBL_2021484 (CHEMBL4675297)	Inhibition of CBS (unknown origin) by methylene blue method
50011531	15	ChEMBL_2021485 (CHEMBL4675298)	Inhibition of human CSE using H-Cys as the substrate by LC/MS/MS-based assay
50011531	16	ChEMBL_2021486 (CHEMBL4675299)	Inhibition of human CSE using L-Cys as the substrate in presence of 0.01% Triton X-100 by tandem well based HTS assay
50011531	17	ChEMBL_2021487 (CHEMBL4675300)	Inhibition of human CSE using L-Cys as the substrate in presence of 0.025% Triton X-100 by tandem well based HTS assay
50011531	18	ChEMBL_2021492 (CHEMBL4675305)	Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assay
50011533	1	ChEMBL_2021494 (CHEMBL4675307)	Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes incubated for 45 mins by liquid scintillation counting method
50011533	2	ChEMBL_2021495 (CHEMBL4675308)	Displacement of [3H][Ile5,6]deltorphin II from delta opioid receptor in rat brain membranes incubated for 45 mins by liquid scintillation counting method
50011533	3	ChEMBL_2021496 (CHEMBL4675309)	Displacement of [3H]U69,593 from kappa opioid receptor in guinea-pig brain membranes incubated for 30 mins by liquid scintillation counting method
50011533	4	ChEMBL_2021499 (CHEMBL4675312)	Agonist activity at human MOR expressed in CHO cell membranes incubated for 60 mins scintillation counting assay
50011533	5	ChEMBL_2021500 (CHEMBL4675313)	Agonist activity at human DOR expressed in CHO cell membranes incubated for 60 mins scintillation counting assay
50011533	6	ChEMBL_2021503 (CHEMBL4675316)	Agonist activity at human KOR expressed in CHO cell membranes incubated for 60 mins scintillation counting assay
50011534	1	ChEMBL_2021610 (CHEMBL4675423)	Inhibition of human PTK2 (411-689 residues) expressed in Hi-5 cells
50011537	1	ChEMBL_2021698 (CHEMBL4675511)	Inhibition of human ERG by Qpatch assay
50011537	2	ChEMBL_2021700 (CHEMBL4675513)	Inhibition of human ERG by thallium flux assay
50011537	3	ChEMBL_2021704 (CHEMBL4675517)	Inhibition of SRC (unknown origin)
50011539	1	ChEMBL_2021861 (CHEMBL4675674)	Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia assay
50011539	2	ChEMBL_2021863 (CHEMBL4675676)	Inhibition of human ERG by plate-based planar patch clamp method
50011539	3	ChEMBL_2021867 (CHEMBL4675680)	Binding affinity to ZAP70 (unknown origin)
50011540	1	ChEMBL_2021968 (CHEMBL4675781)	Inverse agonist activity at human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells incubated for 18 hrs by luciferase reporter gene assay
50011540	2	ChEMBL_2021969 (CHEMBL4675782)	Inverse agonist activity at RORgammat in CD3/CD28-stimulated human whole blood assessed as suppression of IL17 incubated for 1 hr before CD3/CD28 stimulation for 20 hrs by AlphaLISA method
50011541	1	ChEMBL_2021996 (CHEMBL4675809)	Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected Sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP at Km by microfluidic assay
50011541	2	ChEMBL_2021999 (CHEMBL4675812)	Inhibition of recombinant human GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using 5FAM-KKSRGDYMTMQID as substrate in presence of ATP at Km by microfluidic assay
50011541	3	ChEMBL_2022000 (CHEMBL4675813)	Inhibition of recombinant human GST-tagged JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate in presence of ATP at Km by microfluidic assay
50011541	4	ChEMBL_2022001 (CHEMBL4675814)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVKK as substrate in presence of ATP at Km by microfluidic assay
50011541	5	ChEMBL_2022006 (CHEMBL4675819)	Inhibition of JAK1/TYK2 signaling pathway in human whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubated for 45 mins followed by IL-12 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	6	ChEMBL_2022007 (CHEMBL4675820)	Inhibition of JAK2 homodimer signaling pathway in human whole blood spiked with CD34 +ve cells assessed as reduction in EPO induced STAT5 phosphorylation preincubated for 45 mins followed by EPO addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	7	ChEMBL_2022030 (CHEMBL4675843)	Inhibition of JAK2/TYK2 signaling pathway in human whole blood lymphocytes assessed as reduction in IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-23 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	8	ChEMBL_2022031 (CHEMBL4675844)	Inhibition of JAK1/TYK2 signaling pathway in human whole blood lymphocytes assessed as reduction in IFN-alpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition and measured measured after 15 mins by FACS assay
50011541	9	ChEMBL_2022032 (CHEMBL4675845)	Inhibition of JAK1/TYK2 signaling pathway in human whole blood lymphocytes assessed as reduction in IL-10 induced STAT3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition and measured measured after 15 mins by FACS assay
50011541	10	ChEMBL_2022033 (CHEMBL4675846)	Inhibition of TYK2/JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 addition and measured measured after 15 mins by FACS assay
50011541	11	ChEMBL_2022034 (CHEMBL4675847)	Inhibition of TYK2/JAK1/JAK2 signaling pathway in human whole blood spiked with CD3 +ve cells assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 45 mins followed by IL-6 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	12	ChEMBL_2022035 (CHEMBL4675848)	Inhibition of TYK2/JAK1/JAK2 signaling pathway in human whole blood spiked with CD3 +ve cells assessed as reduction in IL-6 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-6 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	13	ChEMBL_2022036 (CHEMBL4675849)	Inhibition of JAK1/JAK3 signaling pathway in human whole blood lymphocytes assessed as reduction in IL-21 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-21 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	14	ChEMBL_2022037 (CHEMBL4675850)	Inhibition of JAK1/JAK3 signaling pathway in human whole blood lymphocytes assessed as reduction in IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	15	ChEMBL_2022038 (CHEMBL4675851)	Inhibition of JAK1/JAK3 signaling pathway in human whole blood lymphocytes assessed as reduction in IL-2 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-2 addition and measured measured after 15 mins by immunostaining based FACS assay
50011541	16	ChEMBL_2022039 (CHEMBL4675852)	Inhibition of JAK1/JAK2 signaling pathway in human whole blood spiked with CD14 +ve cells assessed as reduction in IFN-gamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFN-gamma addition and measured measured after 15 mins immunostaining based by FACS assay
50011542	1	ChEMBL_2022053 (CHEMBL4675866)	Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced Ca2+ response preincubated for 5 mins followed by icilin addition by Fluo-4AM dye based fluorescence assay
50011542	2	ChEMBL_2022054 (CHEMBL4675867)	Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allylisothiocyanate-induced Ca2+ response preincubated for 5 mins followed by allylisothiocyanate addition by Fluo-4AM dye based fluorescence assay
50011542	3	ChEMBL_2022055 (CHEMBL4675868)	Agonist activity at rat TRPA1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of allylisothiocyanate by Fluo-4-AM dye based spectrofluorimetric method
50011542	4	ChEMBL_2022057 (CHEMBL4675870)	Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced Ca2+ response preincubated for 5 mins followed by GSK1016790A addition by Fluo-4AM dye based fluorescence assay
50011542	5	ChEMBL_2022058 (CHEMBL4675871)	Agonist activity at rat TRPV4 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method
50011542	6	ChEMBL_2022060 (CHEMBL4675873)	Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced Ca2+ response preincubated for 5 mins followed by thymol addition by Fluo-4AM dye based fluorescence assay
50011542	7	ChEMBL_2022061 (CHEMBL4675874)	Agonist activity at rat TRPV3 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method
50011542	8	ChEMBL_2022063 (CHEMBL4675876)	Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ response preincubated for 5 mins followed by LPC addition by Fluo-4AM dye based fluorescence assay
50011542	9	ChEMBL_2022064 (CHEMBL4675877)	Agonist activity at rat TRPV2 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method
50011542	10	ChEMBL_2022066 (CHEMBL4675879)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ response preincubated for 5 mins followed by capsaicin addition by Fluo-4AM dye based fluorescence assay
50011542	11	ChEMBL_2022067 (CHEMBL4675880)	Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method
50011543	1	ChEMBL_2022078 (CHEMBL4675891)	Time-dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate and in presence of co-factor by LC-MS/MS analysis
50011543	2	ChEMBL_2022080 (CHEMBL4675893)	Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate and in presence of co-factor by LC-MS/MS analysis
50011543	3	ChEMBL_2022083 (CHEMBL4675896)	Inhibition of human CYP3A4 in human liver microsomes using testosterone as substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	4	ChEMBL_2022084 (CHEMBL4675897)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	5	ChEMBL_2022085 (CHEMBL4675898)	Inhibition of CYP2D6 in human liver microsomes using probe substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	6	ChEMBL_2022086 (CHEMBL4675899)	Inhibition of CYP2C9 in human liver microsomes using probe substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	7	ChEMBL_2022087 (CHEMBL4675900)	Inhibition of CYP2C19 in human liver microsomes using probe substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	8	ChEMBL_2022088 (CHEMBL4675901)	Inhibition of CYP1A2 in human liver microsomes using probe substrate and in presence of co-factor preincubated for 20 mins followed by substrate addition by LC-MS/MS analysis
50011543	9	ChEMBL_2022089 (CHEMBL4675902)	Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-stimulated [35S]GTPgammaS binding after 90 mins by scintillation counting method
50011543	10	ChEMBL_2022090 (CHEMBL4675903)	Inhibition of recombinant human PDE4A overexpressed in HEK293 cells assessed as reduction in cAMP hydrolysis by HTRF based immunoassay
50011543	11	ChEMBL_2022125 (CHEMBL4675938)	Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction in capric acid-induced IP1 accumulation treated for 30 mins prior to capric acid stimulation measured after 1 hr by HTRF based immunoassay
50011543	12	ChEMBL_2022126 (CHEMBL4675939)	Inverse agonist activity at recombinant mouse GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction in IP1 accumulation incubated for 30 mins by HTRF based immunoassay
50011543	13	ChEMBL_2022183 (CHEMBL4675996)	Displacement of [3H]-9-(2-phenylethyl)-2-(2-pyrazin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one from recombinant FLAG-tagged GPR84 (unknown origin) expressed in T-REx-293 cells co-expressing Galphai2 incubated for 1 hr by liquid scintillation counting analysis
50011544	1	ChEMBL_2022209 (CHEMBL4676022)	Inhibition of PDE10A1 (unknown origin)
50011544	2	ChEMBL_2022210 (CHEMBL4676023)	Inhibition of human ERG
50011544	3	ChEMBL_2022214 (CHEMBL4676027)	Inhibition of CYP3A4 (unknown origin)
50011544	4	ChEMBL_2022215 (CHEMBL4676028)	Inhibition of CYP2D6 (unknown origin)
50011544	5	ChEMBL_2022216 (CHEMBL4676029)	Inhibition of CYP2C19 (unknown origin)
50011544	6	ChEMBL_2022217 (CHEMBL4676030)	Inhibition of CYP2C9 (unknown origin)
50011544	7	ChEMBL_2022218 (CHEMBL4676031)	Inhibition of CYP2C8 (unknown origin)
50011544	8	ChEMBL_2022219 (CHEMBL4676032)	Inhibition of CYP2B6 (unknown origin)
50011544	9	ChEMBL_2022220 (CHEMBL4676033)	Inhibition of CYP1A2 (unknown origin)
50011544	10	ChEMBL_2022241 (CHEMBL4676054)	Inhibition of 10 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for 30 mins followed by ATP addition and measured for 30 mins by pyruvate kinase-lactate dehydrogenase coupled assay
50011544	11	ChEMBL_2022242 (CHEMBL4676055)	Inhibition of 1 nM recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for 30 mins followed by ATP addition and measured for 3 hrs by pyruvate kinase-lactate dehydrogenase coupled assay
50011544	12	ChEMBL_2022251 (CHEMBL4676064)	Inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using 8 mM fructose as substrate preincubated for 30 mins followed by 2 mM ATP addition and measured for 30 min by pyruvate kinase-lactate dehydrogenase coupled assay
50011544	13	ChEMBL_2022252 (CHEMBL4676065)	Inhibition of recombinant human N-terminal His-tagged KHKA expressed in Escherichia coli BL21 (DE3) using 8 mM fructose as substrate preincubated for 30 mins followed by 2 mM ATP addition and measured for 30 min by pyruvate kinase-lactate dehydrogenase coupled assay
50011544	14	ChEMBL_2022253 (CHEMBL4676066)	Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21 (DE3) using 8 mM fructose as substrate preincubated for 30 mins followed by 2 mM ATP addition and measured for 30 min by pyruvate kinase-lactate dehydrogenase coupled assay
50011544	15	ChEMBL_2022267 (CHEMBL4676080)	Mixed noncompetitive inhibition of recombinant human N-terminal His-tagged KHKC expressed in Escherichia coli BL21 (DE3) using fructose as substrate preincubated for 30 mins followed by ATP addition and measured for 30 mins by Lineweaver-burk plot analysis
50011546	1	ChEMBL_2022278 (CHEMBL4676091)	Inhibition of CYP2C9 in human liver microsomes
50011546	2	ChEMBL_2022279 (CHEMBL4676092)	Inhibition of CYP2C19 in human liver microsomes
50011546	3	ChEMBL_2022280 (CHEMBL4676093)	Inhibition of CYP1A2 in human liver microsomes
50011546	4	ChEMBL_2022297 (CHEMBL4676110)	Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of tamoxifen by Western blot analysis
50011546	5	ChEMBL_2022298 (CHEMBL4676111)	Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression in presence of cycloheximide by Western blot analysis
50011546	6	ChEMBL_2022299 (CHEMBL4676112)	Agonist activity at ERalpha in human MCF7 cells assessed as increase in progesterone receptor expression level by western blot analysis
50011546	7	ChEMBL_2022300 (CHEMBL4676113)	Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ERalpha expression by Western blot analysis
50011546	8	ChEMBL_2022301 (CHEMBL4676114)	Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells after 10 mins by HTRF assay
50011546	9	ChEMBL_2022324 (CHEMBL4676137)	Inhibition of human ERG by plate-based planar patch clamp technique
50011546	10	ChEMBL_2022325 (CHEMBL4676138)	Inhibition of CYP3A4 in human liver microsomes
50011546	11	ChEMBL_2022326 (CHEMBL4676139)	Inhibition of CYP2D6 in human liver microsomes
50011546	12	ChEMBL_2022341 (CHEMBL4676154)	Induction of ERalpha degradation in human MCF7 cells assessed as decrease in ER-alpha level incubated for 18 to 24 hrs by Alexa fluor 488/Hoechst staining based immunofluorescence imaging analysis
50011546	13	ChEMBL_2022342 (CHEMBL4676155)	Displacement of fluormone ES2 green reagent from human GST-tagged ERalpha LBD (282 to 595 residues) expressed in baculovirus infected insect cells incubated for 1 hrs by TR-FRET Lanthascreen assay
50011547	1	ChEMBL_2022350 (CHEMBL4676163)	Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50011548	1	ChEMBL_2022366 (CHEMBL4676179)	Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluorescence assay
50011548	2	ChEMBL_2022367 (CHEMBL4676180)	Inhibition of human IMPDH2 expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluorescence assay
50011550	1	ChEMBL_2022368 (CHEMBL4676181)	Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followed by LHRH addition and measured after 60 mins by TR-FRET assay
50011550	2	ChEMBL_2022369 (CHEMBL4676182)	Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins followed by buserelin addition and measured after 60 mins by TR-FRET assay
50011550	3	ChEMBL_2022370 (CHEMBL4676183)	Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of LHRH-induced response preincubated for 20 mins followed by LHRH addition and measured after 60 mins by TR-FRET assay
50011550	4	ChEMBL_2022371 (CHEMBL4676184)	Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as inhibition of buserelin-induced response preincubated for 20 mins followed by buserelin addition and measured after 60 mins by TR-FRET assay
50011550	5	ChEMBL_2022383 (CHEMBL4676196)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel inward tail current by whole cell voltage clamp assay
50011550	6	ChEMBL_2022385 (CHEMBL4676198)	Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells by TR-FRET assay
50011550	7	ChEMBL_2022386 (CHEMBL4676199)	Irreversible inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50011550	8	ChEMBL_2022392 (CHEMBL4676205)	Inhibition of CB1 receptor (unknown origin)
50011550	9	ChEMBL_2022393 (CHEMBL4676206)	Inhibition of MAPK3 (unknown origin)
50011550	10	ChEMBL_2022394 (CHEMBL4676207)	Inhibition of MAPK14 (unknown origin)
50011550	11	ChEMBL_2022412 (CHEMBL4676225)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50011550	12	ChEMBL_2022413 (CHEMBL4676226)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50011550	13	ChEMBL_2022414 (CHEMBL4676227)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50011550	14	ChEMBL_2022415 (CHEMBL4676228)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50011550	15	ChEMBL_2022416 (CHEMBL4676229)	Inhibition of CYP3A4 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50011550	16	ChEMBL_2022418 (CHEMBL4676231)	Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells assessed as dissociation constant by TR-FRET assay
50011550	17	ChEMBL_2022419 (CHEMBL4676232)	Inhibition of Tag-lite green-labeled agonist binding to terbium fluorophore-labeled human N-terminal SNAP-tag GnRh receptor expressed in HEK293 cells assessed as equilibrium dissociation constant by TR-FRET assay
50011554	1	ChEMBL_2022505 (CHEMBL4676318)	Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenase
50011554	2	ChEMBL_2022506 (CHEMBL4676319)	Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenase in presence of Escherichia coli type 1 NfsB nitroreductase
50011554	3	ChEMBL_2022507 (CHEMBL4676320)	Inhibition of Escherichia coli GroEL/ES assessed as inhibition of native malate dehydrogenase treated after denatured malate dehydrogenase completely refold
50011554	4	ChEMBL_2022508 (CHEMBL4676321)	Inhibition of Escherichia coli GroEL/ES assessed as inhibition of native malate dehydrogenase treated after denatured malate dehydrogenase completely refold in presence of NfsB nitroreductase
50011556	1	ChEMBL_2022514 (CHEMBL4676327)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 120 mins by solid scintillation counting method
50011556	2	ChEMBL_2022515 (CHEMBL4676328)	Displacement of [3H]-di-o-tolylguanidine from Sigma 2 receptor in rat liver membrane incubated for 120 mins by solid scintillation counting method
50011556	3	ChEMBL_2022519 (CHEMBL4676332)	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by scintillation counting method
50011557	1	ChEMBL_2022522 (CHEMBL4676335)	Inhibition of PDE4 (unknown origin)
50011557	2	ChEMBL_2022523 (CHEMBL4676336)	Inhibition of human PDE4D catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay
50011557	3	ChEMBL_2022524 (CHEMBL4676337)	Inhibition of PDE4D in human PBMC assessed as reduction in lipopolysaccharide-induced TNFalpha production pre-incubated for 30 mins before LPS stimulation for 18 hrs by AlphaLISA
50011557	4	ChEMBL_2022530 (CHEMBL4676343)	Inhibition of human PDE4A catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay
50011557	5	ChEMBL_2022531 (CHEMBL4676344)	Inhibition of human PDE4B catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay
50011557	6	ChEMBL_2022532 (CHEMBL4676345)	Inhibition of human PDE4C catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay
50011558	1	ChEMBL_2022612 (CHEMBL4676425)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay
50011558	2	ChEMBL_2022613 (CHEMBL4676426)	Displacement of 3H](+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method
50011558	3	ChEMBL_2022615 (CHEMBL4676428)	Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay
50011558	4	ChEMBL_2022616 (CHEMBL4676429)	Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method
50011560	1	ChEMBL_2022673 (CHEMBL4676486)	Inhibition of human coagulation factor XIA using Mes-dArg-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	2	ChEMBL_2022678 (CHEMBL4676491)	Inhibition of human uPA using Tos-Gly-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	3	ChEMBL_2022680 (CHEMBL4676493)	Inhibition of human plasmin using Mes-dArg-Phe-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	4	ChEMBL_2022681 (CHEMBL4676494)	Inhibition of human kallikrein using Mes-dArg-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	5	ChEMBL_2022682 (CHEMBL4676495)	Inhibition of human recombinant MAGL using 1,3-dihydroxypropan-2-yl 4-pyren-1-ylbutanoate as substrate measured after 45 mins by reverse-phase HPLC-based fluorescence assay
50011560	6	ChEMBL_2022683 (CHEMBL4676496)	Inhibition of FAAH in rat brain membrane using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate measured after 60 mins by reverse-phase HPLC-based fluorescence assay
50011560	7	ChEMBL_2022690 (CHEMBL4676503)	Inhibition of human coagulation factor Xa using Boc-Ile-Glu-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	8	ChEMBL_2022691 (CHEMBL4676504)	Inhibition of human coagulation factor alpha-thrombin using Boc-Val-Pro-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011560	9	ChEMBL_2022692 (CHEMBL4676505)	Inhibition of human coagulation factor XIIA using Boc-Gln-Gly-Arg-AMC as fluorogenic substrate measured at 1 min interval for 1 hr by fluorometric assay
50011561	1	ChEMBL_2022745 (CHEMBL4676558)	Antagonist activity at recombinant human PR expressed in COS cells assessed as inhibition of R1881-induced transcriptional activity measured after 24 hrs by dual luciferase reporter gene assay
50011561	2	ChEMBL_2022746 (CHEMBL4676559)	Antagonist activity at recombinant human AR F876L mutant expressed in COS cells assessed as inhibition of R1881-induced transcriptional activity measured after 24 hrs by dual luciferase reporter gene assay
50011561	3	ChEMBL_2022761 (CHEMBL4676574)	Antagonist activity at recombinant human AR expressed in HEK293 cells assessed as inhibition of R1881-induced transcriptional activity measured after 24 hrs by dual luciferase reporter gene assay
50011561	4	ChEMBL_2022762 (CHEMBL4676575)	Displacement of [3H]-MIB from wild-type rat AR LBD measured after 16 hrs by scintillation counting method
50011562	1	ChEMBL_2022763 (CHEMBL4676576)	Antagonist activity at human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-induced cAMP production
50011562	2	ChEMBL_2022773 (CHEMBL4676586)	Antagonist activity at human CGRP receptor
50011564	1	ChEMBL_2022780 (CHEMBL4676593)	Binding affinity to wild-type human partial length JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system by Kinomescan method relative to control
50011564	2	ChEMBL_2022781 (CHEMBL4676594)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 5 mins in presence of NADPH by LC-MS/MS analysis
50011564	3	ChEMBL_2022782 (CHEMBL4676595)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50011564	4	ChEMBL_2022783 (CHEMBL4676596)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50011564	5	ChEMBL_2022784 (CHEMBL4676597)	Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate measured after 45 mins in presence of NADPH by LC-MS/MS analysis
50011564	6	ChEMBL_2022785 (CHEMBL4676598)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis
50011564	7	ChEMBL_2022793 (CHEMBL4676606)	Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by glutamate oxidase/horseradish peroxidase-coupled Amplex UltraRED reagent based fluorescence assay
50011564	8	ChEMBL_2022794 (CHEMBL4676607)	Inhibition of human ERG stably expressed in CHO cells at -80 mV by automated Qpatch electrophysiological assay
50011564	9	ChEMBL_2022795 (CHEMBL4676608)	Inhibition of GLS1 in human A549 cells assessed as reduction in conversion of glutamine to glutamate measured after 24 hrs
50011564	10	ChEMBL_2022796 (CHEMBL4676609)	Inhibition of recombinant human GLS2 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins by glutamate oxidase/horseradish peroxidase-coupled Amplex UltraRED reagent based fluorescence assay
50011566	1	ChEMBL_2022849 (CHEMBL4676662)	Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) and biotinylated NAD+ as substrate in presence of activated DNA incubated for 60 mins by chemiluminescence assay
50011566	2	ChEMBL_2022850 (CHEMBL4676663)	Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) and biotinylated NAD+ as substrate in presence of activated DNA incubated for 60 mins by chemiluminescence assay
50011566	3	ChEMBL_2022905 (CHEMBL4676718)	Inhibition of PARP3 (unknown origin)
50011566	4	ChEMBL_2022906 (CHEMBL4676719)	Inhibition of TNKS1 (unknown origin)
50011566	5	ChEMBL_2022907 (CHEMBL4676720)	Inhibition of TNKS2 (unknown origin)
50011567	1	ChEMBL_2022925 (CHEMBL4676738)	Binding affinity to rat alpha4beta2 nAChR
50011567	2	ChEMBL_2022928 (CHEMBL4676741)	Agonist activity at rat alpha4beta2 nAChR
50011567	3	ChEMBL_2022929 (CHEMBL4676742)	Displacement of [3H]-cytisine from rat brain membrane alpha4beta2 nAChR
50011567	4	ChEMBL_2022933 (CHEMBL4676746)	Inhibition of bovine adrenal medulla DBH incubated for 25 mins
50011567	5	ChEMBL_2022945 (CHEMBL4676758)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's coupled enzyme assay
50011567	6	ChEMBL_2022957 (CHEMBL4676770)	Binding affinity to human alpha3beta4 nAChR
50011567	7	ChEMBL_2022960 (CHEMBL4676773)	Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human K177 cell membrane incubated for 75 mins by liquid scintillation spectroscopy
50011567	8	ChEMBL_2022979 (CHEMBL4676792)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 20 secs for 3 mins by Ellman's method
50011567	9	ChEMBL_2022980 (CHEMBL4676793)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured every 30 secs for 1 hr by Ellman's method
50011567	10	ChEMBL_2022981 (CHEMBL4676794)	Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50011567	11	ChEMBL_2022982 (CHEMBL4676795)	Inhibition of BuChE (unknown origin)
50011567	12	ChEMBL_2022983 (CHEMBL4676796)	Inhibition of acetylcholinesterase (unknown origin)
50011567	13	ChEMBL_2023001 (CHEMBL4676814)	Inhibition of rat cortex homogenate BuChE by spectrophotometric method
50011567	14	ChEMBL_2023002 (CHEMBL4676815)	Displacement of [3H]cytisine from human alpha4beta2 nAChR by Cheng-Prusoff equation analysis
50011567	15	ChEMBL_2023003 (CHEMBL4676816)	Displacement of [3H]cytisine from human alpha4beta2 nAChR by radioligand competition analysis
50011567	16	ChEMBL_2023004 (CHEMBL4676817)	Displacement of [3H]MLA from rat alpha7 nAChR by liquid scintillation counting
50011567	17	ChEMBL_2023005 (CHEMBL4676818)	Displacement of [3H]nicotine from rat alpha4beta2 nAChR by liquid scintillation counting
50011567	18	ChEMBL_2023014 (CHEMBL4676827)	Inhibition of horse serum BuChE by Ellman's colorimetric method
50011567	19	ChEMBL_2023015 (CHEMBL4676828)	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's colorimetric method
50011567	20	ChEMBL_2023031 (CHEMBL4676844)	Agonist activity at alpha4beta2 nAChR in rat thalamic synaptosomes assessed as increase in 86Rb efflux
50011567	21	ChEMBL_2023033 (CHEMBL4676846)	Inhbition of [3H] nicotine binding to rat brain alpha4beta2 nAChR by Cheng-Prusoff equation analysis
50011567	22	ChEMBL_2023035 (CHEMBL4676848)	Agonist activity at alpha4beta2 nAChR in rat frontal cortex membrane
50011567	23	ChEMBL_2023036 (CHEMBL4676849)	Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat frontal cortex membrane by scintillation counting method
50011567	24	ChEMBL_2023041 (CHEMBL4676854)	Agonist activity at human brain alpha4beta2 nAChR expressed in CHO cells by patch clamp electrophysiological assay
50011567	25	ChEMBL_2023042 (CHEMBL4676855)	Agonist activity at human brain alpha7 nAChR expressed in Xenopus laevis oocytes assessed as peak response
50011567	26	ChEMBL_2023044 (CHEMBL4676857)	Agonist activity at human brain alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as peak response
50011567	27	ChEMBL_2023046 (CHEMBL4676859)	Inhbition of [3H] nicotine binding to rat brain alpha4beta2 nAChR
50011567	28	ChEMBL_2023047 (CHEMBL4676860)	Displacement of 3H-cytisine from Sprague-Dawley rat brain alpha4beta2 nAChR by liquid scintillation counting method
50011567	29	ChEMBL_2023049 (CHEMBL4676862)	Agonist activity at rat brain alpha4beta2 nAChR
50011567	30	ChEMBL_2023050 (CHEMBL4676863)	Displacement of 3H-cytisine from rat brain alpha4beta2 nAChR by radioligand binding assay
50011567	31	ChEMBL_2023051 (CHEMBL4676864)	Displacement of 125I-alpha-bungarotoxin from rat brain alpha7 nAChR by radioligand binding assay
50011567	32	ChEMBL_2023052 (CHEMBL4676865)	Agonist activity at rat brain alpha7 nAChR
50011567	33	ChEMBL_2023053 (CHEMBL4676866)	Agonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes
50011567	34	ChEMBL_2023054 (CHEMBL4676867)	Agonist activity at rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes
50011567	35	ChEMBL_2023055 (CHEMBL4676868)	Agonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes
50011567	36	ChEMBL_2023056 (CHEMBL4676869)	Binding affinity to alpha7 nAChR (unknown origin)
50011567	37	ChEMBL_2023057 (CHEMBL4676870)	Binding affinity to alpha3beta4 nAChR (unknown origin)
50011567	38	ChEMBL_2023058 (CHEMBL4676871)	Agonist activity at alpha4beta2 nAChR (unknown origin)
50011567	39	ChEMBL_2023072 (CHEMBL4676885)	Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 3A (unknown origin)
50011567	40	ChEMBL_2023073 (CHEMBL4676886)	Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 2A (unknown origin)
50011567	41	ChEMBL_2023074 (CHEMBL4676887)	Displacement of [3H]nicotine from 5-hydroxytryptamine receptor 1A (unknown origin)
50011567	42	ChEMBL_2023077 (CHEMBL4676890)	Displacement of [3H]nicotine from dopamine D3 receptor (unknown origin)
50011567	43	ChEMBL_2023078 (CHEMBL4676891)	Displacement of [3H]nicotine from Thromboxane A2 (unknown origin)
50011567	44	ChEMBL_2023079 (CHEMBL4676892)	Displacement of [3H]nicotine from NPY2R (unknown origin)
50011567	45	ChEMBL_2023082 (CHEMBL4676895)	Displacement of [3H]nicotine from B2 bradykinin receptor (unknown origin)
50011567	46	ChEMBL_2023083 (CHEMBL4676896)	Displacement of [3H]nicotine from Histamine H3 receptor (unknown origin)
50011567	47	ChEMBL_2023084 (CHEMBL4676897)	Displacement of [3H]nicotine from muscarinic M3 receptor (unknown origin)
50011567	48	ChEMBL_2023085 (CHEMBL4676898)	Displacement of [3H]nicotine from muscarinic M2 receptor (unknown origin)
50011567	49	ChEMBL_2023086 (CHEMBL4676899)	Displacement of [3H]nicotine from muscarinic M1 receptor (unknown origin)
50011567	50	ChEMBL_2023087 (CHEMBL4676900)	Displacement of [3H]nicotine from Endothelin receptor type B (unknown origin)
50011567	51	ChEMBL_2023088 (CHEMBL4676901)	Displacement of [3H]nicotine from Endothelin receptor type A (unknown origin)
50011567	52	ChEMBL_2023089 (CHEMBL4676902)	Displacement of [3H]nicotine from cholecystokinin receptor type B (unknown origin)
50011567	53	ChEMBL_2023090 (CHEMBL4676903)	Displacement of [3H]nicotine from cholecystokinin receptor type A (unknown origin)
50011567	54	ChEMBL_2023155 (CHEMBL4676968)	Competitive inhibition of bovine GABAA alpha1beta1 expressed in Xenopus laevis oocytes
50011567	55	ChEMBL_2023156 (CHEMBL4676969)	Inhibition of bovine erythrocytes acetylcholinesterase using acetylthiocholine iodide as substrate measured every 13 secs for 104 secs by Ellman's methods
50011567	56	ChEMBL_2023163 (CHEMBL4676976)	Inhibition of [3H]-methyl-quinuclidinyl benzilate binding to rat salivary gland muscarinic M3 receptor by radioligand binding assay
50011567	57	ChEMBL_2023164 (CHEMBL4676977)	Inhibition of [3H]-methyl-quinuclidinyl benzilate binding to rat brain muscarinic M1 receptor by radioligand binding assay
50011567	58	ChEMBL_2023165 (CHEMBL4676978)	Inhibition of [3H]-methyl-quinuclidinyl benzilate binding to rat heart muscarinic M2 receptor by radioligand binding assay
50011567	59	ChEMBL_2023168 (CHEMBL4676981)	Agonist activity at human alpha4beta2 nAChR expressed in Xenopus oocytes
50011567	60	ChEMBL_2023169 (CHEMBL4676982)	Agonist activity at rat alpha7 nAChR
50011567	61	ChEMBL_2023171 (CHEMBL4676984)	Binding affinity to rat alpha7 nAChR
50011567	62	ChEMBL_2023172 (CHEMBL4676985)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in K28 cell membrane
50011567	63	ChEMBL_2023173 (CHEMBL4676986)	Inhibition of rat cortex homogenate acetylcholinesterase by spectrophotometric method
50011570	1	ChEMBL_2023210 (CHEMBL4677023)	Agonist activity at TRPA1 (unknown origin) by calcium imaging assay
50011572	1	ChEMBL_2023213 (CHEMBL4677026)	Inhibition of Escherichia coli FabI using trans-2-octanoyl-N-acetylcysteamine as substrate by spectrophotometry
50011572	2	ChEMBL_2023270 (CHEMBL4677083)	Inhibition of Wild type Escherichia coli FabI
50011573	1	ChEMBL_2023276 (CHEMBL4677089)	Binding affinity to human Argonaut protein 2 PAZ domain assessed as dissociation constant by using isothermal titration microcalorimetry
50011574	1	ChEMBL_2023283 (CHEMBL4677096)	Antagonist activity at human P2X3 receptor
50011574	2	ChEMBL_2023285 (CHEMBL4677098)	Inhibition of CYP1A2 (unknown origin)
50011574	3	ChEMBL_2023286 (CHEMBL4677099)	Inhibition of CYP2C9 (unknown origin)
50011574	4	ChEMBL_2023287 (CHEMBL4677100)	Inhibition of CYP3A4 (unknown origin)
50011576	1	ChEMBL_2023304 (CHEMBL4677117)	Displacement of [3H]-NMS from muscarinic M4 receptor (unknown origin) expressed in CHO-K1 cell membranes assessed as inhibition constant by radioligand competition analysis
50011576	2	ChEMBL_2023305 (CHEMBL4677118)	Displacement of [3H]-NMS from muscarinic M3 receptor (unknown origin) expressed in CHO-K1 cell membranes assessed as inhibition constant by radioligand competition analysis
50011576	3	ChEMBL_2023306 (CHEMBL4677119)	Displacement of [3H]-NMS from muscarinic M2 receptor (unknown origin) expressed in CHO-K1 cell membranes assessed as inhibition constant by radioligand competition analysis
50011576	4	ChEMBL_2023307 (CHEMBL4677120)	Displacement of [3H]-NMS from muscarinic M1 receptor (unknown origin) expressed in CHO-K1 cell membranes assessed as inhibition constant by radioligand competition analysis
50011576	5	ChEMBL_2023308 (CHEMBL4677121)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Galpha15 assessed as inhibition of acetylcholine-induced calcium mobilization relative to acetylcholine
50011578	1	ChEMBL_2023309 (CHEMBL4677122)	Inhibition of CYP3A4 (unknown origin)
50011578	2	ChEMBL_2023310 (CHEMBL4677123)	Inhibition of human ERG
50011581	1	ChEMBL_2023407 (CHEMBL4677220)	Inhibition of ATX in human serum assessed as reduction in LPA (18:1) level by LC-MS analysis
50011581	2	ChEMBL_2023418 (CHEMBL4677231)	Inhibition of human ERG expressed in CHO-K1 cells by automated Qpatch clamp assay
50011581	3	ChEMBL_2023419 (CHEMBL4677232)	Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured every 2 mins for 40 mins by resurofin-based fluorescence analysis
50011585	1	ChEMBL_2023527 (CHEMBL4677340)	Inverse agonist activity at 5-HT7 receptor (unknown origin) by cAMP functional assay
50011585	2	ChEMBL_2023529 (CHEMBL4677342)	Displacement of [3H]risperidone from alpha1 adrenergic receptor in rat cortex membrane incubated for 60 mins by competitive radioligand binding assay
50011585	3	ChEMBL_2023530 (CHEMBL4677343)	Displacement of [3H]-ketanserin from human 5-HT2C receptor by competitive radioligand binding assay
50011585	4	ChEMBL_2023531 (CHEMBL4677344)	Displacement of [3H]-ketanserin from human 5-HT2B receptor by competitive radioligand binding assay
50011585	5	ChEMBL_2023532 (CHEMBL4677345)	Displacement of [3H]-ketanserin from human 5-HT2A receptor by competitive radioligand binding assay
50011585	6	ChEMBL_2023533 (CHEMBL4677346)	Displacement of [3H]-CT from rat 5-HT7 receptor expressed in HEK293 cells by competitive radioligand binding assay
50011588	1	ChEMBL_2023543 (CHEMBL4677356)	Inhibition of FITC-Ahx-DPPLHSpTAI-NH2 binding to Plk1 PBD (unknown origin) expressed in bacterial expression system measured after 30 mins by fluorescence polarization assay
50011588	2	ChEMBL_2023572 (CHEMBL4677385)	Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated for 30 mins followed by biotin-Ahx-CETFDPPLHSpTAI-NH2 addition and measured after 1 hr by 3,3',5,5'-tetramethylbenzidine substrate based ELISA
50011591	1	ChEMBL_2023579 (CHEMBL4677392)	Binding affinity to signal peptide of human CD4-YFP expressed in CHO-K1 cells assessed down-modulation of CD4 surface expression incubated for 24 hrs by flow cytometry
50011592	1	ChEMBL_2023615 (CHEMBL4677428)	Binding affinity to biotinylated human AVI-PD-L1 assessed as dissociation constant by biolayer interferometry
50011592	2	ChEMBL_2023624 (CHEMBL4677437)	Inhibition of PD1-Tag2/PD-L1-Tag1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and anti-Tag2-XL665 measured after 2.5 hrs by HTRF assay
50011593	1	ChEMBL_2023649 (CHEMBL4677462)	Inhibition of human ERG by Qpatch method
50011593	2	ChEMBL_2023654 (CHEMBL4677467)	Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in human HEK293 cells
50011593	3	ChEMBL_2023655 (CHEMBL4677468)	Displacement of [3H]OH-DPAT from recombinant human 5-HT1A receptor expressed in human HEK293 cells
50011593	4	ChEMBL_2023656 (CHEMBL4677469)	Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cells
50011593	5	ChEMBL_2023657 (CHEMBL4677470)	Displacement of [3H]-pyrilamine from human H1 histamine receptor expressed in human HEK293 cells
50011593	6	ChEMBL_2023658 (CHEMBL4677471)	Displacement of [3H]-spiperone from recombinant human D2L receptor expressed in CHO cells
50011593	7	ChEMBL_2023659 (CHEMBL4677472)	Displacement of [3H]-prazosin from adrenergic alpha1 in rat cerebral cortex
50011593	8	ChEMBL_2023666 (CHEMBL4677479)	Binding affinity to H1 histamine receptor (unknown origin)
50011593	9	ChEMBL_2023667 (CHEMBL4677480)	Binding affinity to adrenergic alpha1 receptor (unknown origin)
50011594	1	ChEMBL_2023676 (CHEMBL4677489)	Inhibition of BRD4 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 1 hr by AlphaScreen assay relative to control
50011595	1	ChEMBL_2023733 (CHEMBL4677546)	Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates by LC/MS analysis
50011595	2	ChEMBL_2023734 (CHEMBL4677547)	Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates by LC/MS analysis
50011595	3	ChEMBL_2023735 (CHEMBL4677548)	Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates by LC/MS analysis
50011595	4	ChEMBL_2023736 (CHEMBL4677549)	Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates by LC/MS analysis
50011595	5	ChEMBL_2023737 (CHEMBL4677550)	Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrates by LC/MS analysis
50011595	6	ChEMBL_2023746 (CHEMBL4677559)	Inhibition of OGA in HEK293 cells induced with human Tau P30IL mutant assessed as increase in O-GlcNAcylated protein levels measured after 6 hrs by Hoechst 33342 dye based fluorescence analysis
50011596	1	ChEMBL_2023783 (CHEMBL4677596)	Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) expressed in baculovirus expression system incubated for 120 mins in presence of ATP by ADP-glo based luminescence assay
50011596	2	ChEMBL_2023812 (CHEMBL4677625)	Inhibition of NIK (unknown origin)
50011597	1	ChEMBL_2023820 (CHEMBL4677633)	Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay
50011597	2	ChEMBL_2023821 (CHEMBL4677634)	Inhibition of ULK1 (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50011597	3	ChEMBL_2023822 (CHEMBL4677635)	Inhibition of recombinant human ULK2 (1 to 478 residues) expressed in Sf9 cells using myelin basic protein as substrate by ADP-glo assay
50011597	4	ChEMBL_2023824 (CHEMBL4677637)	Inhibition of ULK2 (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50011598	1	ChEMBL_2023906 (CHEMBL4677719)	Inhibition of human MMP-9 by fluorometric assay
50011598	2	ChEMBL_2023907 (CHEMBL4677720)	Inhibition of human MMP-3 by fluorometric assay
50011598	3	ChEMBL_2023908 (CHEMBL4677721)	Inhibition of human MMP-2 by fluorometric assay
50011598	4	ChEMBL_2023916 (CHEMBL4677729)	Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate measured after 60 mins by Fluorescence plate reader analysis
50011598	5	ChEMBL_2023917 (CHEMBL4677730)	Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate measured after 60 mins by LC-MS/MS analysis
50011598	6	ChEMBL_2023918 (CHEMBL4677731)	Displacement of (S)-N-(2-(N-(3-biphenyl-4-ylcarboxamido-4-(hydroxyamino)-4-oxobutyl)sulfamoyl)ethyl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide fluorescent probe from histidine tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of fluorscein probe measured after 2 hrs by fluorescence polarization assay
50011599	1	ChEMBL_2023924 (CHEMBL4677737)	Inhibition of human VEGFR2 incubated for 2.5 hrs by ELISA
50011600	1	ChEMBL_2023966 (CHEMBL4677779)	Binding affinity to SMARCA4 (unknown origin) by ITC analysis
50011600	2	ChEMBL_2023967 (CHEMBL4677780)	Binding affinity to SMARCA2 (unknown origin) by ITC analysis
50011600	3	ChEMBL_2023968 (CHEMBL4677781)	Binding affinity to polybromo-1 (5) (unknown origin) by ITC analysis
50011600	4	ChEMBL_2023969 (CHEMBL4677782)	Binding affinity to polybromo-1 (4) (unknown origin) by ITC analysis
50011600	5	ChEMBL_2023970 (CHEMBL4677783)	Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis
50011600	6	ChEMBL_2023971 (CHEMBL4677784)	Binding affinity to polybromo-1 (2) (unknown origin) by ITC analysis
50011601	1	ChEMBL_2023986 (CHEMBL4677799)	Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured for every 30 sec for 10 mins by fluorescence based assay
50011602	1	ChEMBL_2024002 (CHEMBL4677815)	Inhibition of human FGFR4 using poly (Glu, Tyr)4:1 as substrate incubated for 20 mins followed by [33P]-ATP addition and measured after 120 mins by radiometric hotspot assay
50011603	1	ChEMBL_2024044 (CHEMBL4677857)	Positive allosteric modulator activity at human dopamine D5 receptor expressed in CHO-K1 cells assessed as potentiation of dopamine-induced beta-arrestin2 recruitment by measuring dopamine EC50 at 50 uM incubated for 90 mins by PathHunter assay (Rvb = 81.7 nM)
50011603	2	ChEMBL_2024046 (CHEMBL4677859)	Positive allosteric modulator activity at human dopamine D1 receptor expressed in CHO-K1 cells assessed as potentiation of dopamine-induced beta-arrestin2 recruitment by measuring dopamine EC50 at 50 uM incubated for 90 mins by PathHunter assay (Rvb = 1.4 uM)
50011603	3	ChEMBL_2024048 (CHEMBL4677861)	Positive allosteric modulator activity at human dopamine D1 receptor expressed in HEK293 cells assessed as potentiation of dopamine-induced cAMP accumulation by measuring dopamine EC50 at 50 uM measured after 30 mins by HitHunter assay (Rvb = 214 nM)
50011604	1	ChEMBL_2024059 (CHEMBL4677872)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50011604	2	ChEMBL_2024063 (CHEMBL4677876)	Inhibition of 20S immunoproteasome beta 5i subunit in human peripheral blood monocyte using Ac-ANW-AMC as substrate in presence of PA28alpha by fluorimetry analysis
50011604	3	ChEMBL_2024064 (CHEMBL4677877)	Inhibition of constitutive 20S proteasome beta 5 subunit in human erythrocytes using Ac-WLA-AMC as substrate in presence of PA28alpha by fluorimetry analysis
50011605	1	ChEMBL_2024067 (CHEMBL4677880)	Inhibition of KRas G12C mutant in human H358 cells assessed as antiproliferative activity incubated for 3 days by CellTiter-Glo assay
50011605	2	ChEMBL_2024068 (CHEMBL4677881)	Inhibition of KRas G12C mutant in human NCI-H1792 cells assessed as antiproliferative activity incubated for 3 days by CellTiter-Glo assay
50011605	3	ChEMBL_2024071 (CHEMBL4677884)	Inhibition of KRas G12C mutant in human H358 cells assessed as reduction in ERK phosphorylation at T202/Y204 residue incubated for 24 hrs by immunoblot analysis
50011605	4	ChEMBL_2024074 (CHEMBL4677887)	Inhibition of KRas activation in HEK 293T-REx Flp-In cells harboring Venus-RBD-CRD/mCherry-CAAX assessed as reduction in Venus-RBD-CRD recruitment to plasma membrane by inverted confocal microscopy
50011605	5	ChEMBL_2024075 (CHEMBL4677888)	Binding affinity to 15N-labelled GDP bound KRas G12D mutant ( 1 to 169 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells by 1H/15N- HSQC spectroscopy
50011605	6	ChEMBL_2024077 (CHEMBL4677890)	Binding affinity to GCP-KRAS G12D (unknown origin) by isothermal titration calorimetry
50011605	7	ChEMBL_2024078 (CHEMBL4677891)	Inhibition of C-terminal Avi-tagged biotinylated KRas G12D mutant (1 to 169 residues) (unknown origin) expressed in Escherichia coli assessed as reduction in KRas G12D mutant-SOS1 (564 to 1049 residues) protein-protein interaction incubated for 60 mins by TR-FRET LANCE assay
50011605	8	ChEMBL_2024079 (CHEMBL4677892)	Binding affinity to GTP-KRAS G12D (unknown origin) by isothermal titration calorimetry
50011605	9	ChEMBL_2024080 (CHEMBL4677893)	Inhibition of N-terminal 6His-tagged/C-terminal Avi-tagged biotinylated GDP-bound human KRas G12D mutant (1 to 169 residues) assessed as reduction in KRas G12D mutant-SOS1 (564 to 1049 residues) protein-protein interaction by alpha screen assay
50011605	10	ChEMBL_2024082 (CHEMBL4677895)	Binding affinity to GST-tagged GppNHp bound KRas G12V mutant (unknown origin) expressed in Escherichia coli C41(DE3) by 1H-CPMG NMR spectroscopy
50011607	1	ChEMBL_2024090 (CHEMBL4677903)	Displacement of [125I][3-iodo Tyr12,Leu15]gastrin-I from human CCK2R expressed in human A431 cells measured after 1 hr by gamma counter analysis
50011607	2	ChEMBL_2024091 (CHEMBL4677904)	Agonist activity at human CCK2R expressed in human A431 cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based fluorimetry analysis
50011607	3	ChEMBL_2024092 (CHEMBL4677905)	Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based fluorimetry analysis
50011608	1	ChEMBL_2024116 (CHEMBL4677929)	Inhibition of Bcl2 (unknown origin) using 5-FAM-Bid-BH3 as substrate incubated for 30 mins followed by substrate addition and measured after 20 mins by fluorescence polarization assay
50011608	2	ChEMBL_2024117 (CHEMBL4677930)	Inhibition of Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 as substrate incubated for 30 mins followed by substrate addition and measured after 20 mins by fluorescence polarization assay
50011609	1	ChEMBL_2024190 (CHEMBL4678003)	Inhibition of FGF23 (unknown origin)-mediated activation of FGFR/alpha-Klotho transfected in HEK293T cells cotransfected with ERK luciferase reporter measured after 5 hrs by dual-luciferase reporter assay
50011610	1	ChEMBL_2024260 (CHEMBL4678073)	Inhibition of human ERG
50011610	2	ChEMBL_2024269 (CHEMBL4678082)	Inhibition of IRAK1 (unknown origin)
50011610	3	ChEMBL_2024270 (CHEMBL4678083)	Inhibition of IRAK4 (unknown origin)
50011610	5	ChEMBL_2024272 (CHEMBL4678085)	Inhibition of CYP2C8 (unknown origin)
50011610	6	ChEMBL_2024273 (CHEMBL4678086)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50011610	7	ChEMBL_2024274 (CHEMBL4678087)	Inhibition of CYP2B6 (unknown origin)
50011610	8	ChEMBL_2024275 (CHEMBL4678088)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50011610	9	ChEMBL_2024276 (CHEMBL4678089)	Inhibition of CYP2C19 (unknown origin)
50011610	10	ChEMBL_2024277 (CHEMBL4678090)	Inhibition of CYP2D6 (unknown origin)
50011610	11	ChEMBL_2024278 (CHEMBL4678091)	Inhibition of CYP2C9 (unknown origin)
50011610	12	ChEMBL_2024279 (CHEMBL4678092)	Inhibition of CYP1A2 (unknown origin)
50011611	1	ChEMBL_2024324 (CHEMBL4678137)	Inhibition of Tyrosinase (unknown origin) using tyrosine as substrate incubated for 20 mins followed by substrate addition and measured every 10 mins for 30 mins
50011613	1	ChEMBL_2024327 (CHEMBL4678140)	Inhibition of PARP-1 (unknown origin)
50011613	2	ChEMBL_2024328 (CHEMBL4678141)	Inhibition of PARP-2 (unknown origin)
50011613	3	ChEMBL_2024332 (CHEMBL4678145)	Inhibition of human ERG
50011614	1	ChEMBL_2024353 (CHEMBL4678166)	Inhibition of Trk-C (unknown origin)
50011614	2	ChEMBL_2024354 (CHEMBL4678167)	Inhibition of Trk-B (unknown origin)
50011614	3	ChEMBL_2024355 (CHEMBL4678168)	Inhibition of Trk-A (unknown origin)
50011615	1	ChEMBL_2024412 (CHEMBL4678225)	Allosteric inhibition of MALT1-cIAP2 (unknown origin) fusion protein expressed in HEK293 cells assessed as reduction in NF-KappaB activation by luciferase reporter gene assay
50011615	2	ChEMBL_2024413 (CHEMBL4678226)	Allosteric inhibition of MALT1 in human OCI-LY3 cells assessed as reduction in BCL10 cleavage measured after 24 hrs by ELISA
50011615	3	ChEMBL_2024431 (CHEMBL4678244)	Inhibition of human ERG
50011615	4	ChEMBL_2024432 (CHEMBL4678245)	Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50011615	5	ChEMBL_2024433 (CHEMBL4678246)	Allosteric inhibition of MALT1-mediated T cell activation in human Jurkat cells assessed as decrease in PMA induced IL2 activation preincubated for 1 hr followed by addition of PMA measured after 5.5 hrs by luciferase reporter gene assay
50011616	1	ChEMBL_2024495 (CHEMBL4678308)	Inhibition of human erythrocytes CuZn-SOD by UV-VIS spectrophotometric method
50011617	1	ChEMBL_2024560 (CHEMBL4678373)	Inhibition of STIM1/Orai1 (unknown origin) expressed in HEK293 cells assessed as reduction in tBHQ-induced calcium response
50011618	1	ChEMBL_2024586 (CHEMBL4678399)	Inhibition of human cathepsin B using Z-Phe-Arg-AMC fluorogenic peptide as substrate preincubated for 2 mins followed by substrate addition and measured for 5 mins by fluorescence assay
50011618	2	ChEMBL_2024587 (CHEMBL4678400)	Inhibition of recombinant human cathepsin K using Z-Leu-Arg-AMC as substrate measured after 20 mins
50011618	3	ChEMBL_2024588 (CHEMBL4678401)	Inhibition of human cathepsin L
50011618	4	ChEMBL_2024589 (CHEMBL4678402)	Inhibition of human cathepsin S
50011618	5	ChEMBL_2024594 (CHEMBL4678407)	Inhibition of human cathepsin B at pH 6 using Z-Phe-Arg-AMC fluorogenic peptide as substrate preincubated for 2 mins followed by substrate addition and measured for 5 mins by fluorescence assay
50011618	6	ChEMBL_2024595 (CHEMBL4678408)	Inhibition of human cathepsin B at pH 4.5 using Z-Phe-Arg-AMC fluorogenic peptide as substrate preincubated for 2 mins followed by substrate addition and measured for 5 mins by fluorescence assay
50011619	1	ChEMBL_2024610 (CHEMBL4678423)	Inhibition of human ERG
50011619	2	ChEMBL_2024613 (CHEMBL4678426)	Inhibition of CYP3A4 (unknown origin)
50011619	3	ChEMBL_2024616 (CHEMBL4678429)	Inhibition of ROCK1 (unknown origin)
50011621	1	ChEMBL_2024648 (CHEMBL4678461)	Inhibition of OAT3 (unknown origin)
50011621	2	ChEMBL_2024650 (CHEMBL4678463)	Inhibition of OATP1B3 (unknown origin)
50011621	3	ChEMBL_2024651 (CHEMBL4678464)	Inhibition of OAT1 (unknown origin)
50011621	4	ChEMBL_2024653 (CHEMBL4678466)	Inhibition of OATP1B1 (unknown origin)
50011621	5	ChEMBL_2024695 (CHEMBL4678508)	Inhibition of CYP3A4 (unknown origin)
50011621	6	ChEMBL_2024696 (CHEMBL4678509)	Inhibition of CYP2D6 (unknown origin)
50011621	7	ChEMBL_2024697 (CHEMBL4678510)	Inhibition of CYP2C19 (unknown origin)
50011621	8	ChEMBL_2024698 (CHEMBL4678511)	Inhibition of CYP2C9 (unknown origin)
50011621	9	ChEMBL_2024699 (CHEMBL4678512)	Inhibition of CYP2C8 (unknown origin)
50011621	10	ChEMBL_2024700 (CHEMBL4678513)	Inhibition of CYP1A2 (unknown origin)
50011621	11	ChEMBL_2024703 (CHEMBL4678516)	Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 0.5 hrs by fluorescence polarization assay based DNA trapping activity assay
50011621	12	ChEMBL_2024710 (CHEMBL4678523)	Inhibition of PARP-12 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	13	ChEMBL_2024711 (CHEMBL4678524)	Inhibition of PARP-11 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	14	ChEMBL_2024712 (CHEMBL4678525)	Inhibition of PARP-10 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	15	ChEMBL_2024713 (CHEMBL4678526)	Inhibition of PARP-8 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	16	ChEMBL_2024714 (CHEMBL4678527)	Inhibition of PARP-7 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	17	ChEMBL_2024715 (CHEMBL4678528)	Inhibition of PARP-6 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	18	ChEMBL_2024716 (CHEMBL4678529)	Inhibition of TNKS-2 (unknown origin) pre-incubated for 30 mins before addition of NAD by chemiluminescent assay
50011621	19	ChEMBL_2024717 (CHEMBL4678530)	Inhibition of TNKS-1 (unknown origin) pre-incubated for 30 mins before addition of NAD by chemiluminescent assay
50011621	20	ChEMBL_2024718 (CHEMBL4678531)	Inhibition of PARP-3 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	21	ChEMBL_2024726 (CHEMBL4678539)	Inhibition of PARP-1 in human HeLa cells incubated for 18 hrs in presence of H2O2
50011621	22	ChEMBL_2024727 (CHEMBL4678540)	Inhibition of PARP-2 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay
50011621	23	ChEMBL_2024728 (CHEMBL4678541)	Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells pre-incubated for 30 mins before addition of activated DNA and NAD by fluorescence based assay
50011622	1	ChEMBL_2024795 (CHEMBL4678608)	Inhibition of CYP3A4 in in human liver microsomes at incubated for 10 mins in presence of CYP3A4 substrate/NADP+ by fluorescence based assay
50011622	2	ChEMBL_2024816 (CHEMBL4678629)	Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 91.40 +/- 23.32 nM)
50011622	3	ChEMBL_2024817 (CHEMBL4678630)	Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 20 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 91.40 +/- 23.32 nM)
50011622	4	ChEMBL_2024818 (CHEMBL4678631)	Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 91.40 +/- 23.32 nM)
50011622	5	ChEMBL_2024829 (CHEMBL4678642)	Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 1886.37 +/- 243.05 nM)
50011622	6	ChEMBL_2024830 (CHEMBL4678643)	Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 20 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 1886.37 +/- 243.05 nM)
50011622	7	ChEMBL_2024834 (CHEMBL4678647)	Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 4 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 4233.18 +/- 499.10 nM)
50011622	8	ChEMBL_2024835 (CHEMBL4678648)	Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 20 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 4233.18 +/- 499.10 nM)
50011622	9	ChEMBL_2024836 (CHEMBL4678649)	Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 4233.18 +/- 499.10 nM)
50011622	10	ChEMBL_2024838 (CHEMBL4678651)	Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 4.23 +/- 0.6 uM)
50011622	11	ChEMBL_2024839 (CHEMBL4678652)	Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay (Rvb = 1886.37 +/- 243.05 nM)
50011623	1	ChEMBL_2024868 (CHEMBL4678681)	Inhibition of CYP2D6 (unknown origin)
50011623	2	ChEMBL_2024869 (CHEMBL4678682)	Inhibition of CYP3A4 (unknown origin)
50011623	3	ChEMBL_2024871 (CHEMBL4678684)	Inhibition of CYP2C19 (unknown origin)
50011623	4	ChEMBL_2024872 (CHEMBL4678685)	Inhibition of CYP2C9 (unknown origin)
50011623	5	ChEMBL_2024874 (CHEMBL4678687)	Inhibition of CYP1A2 (unknown origin)
50011623	6	ChEMBL_2024881 (CHEMBL4678694)	Inhibition of recombinant human ACSL6 assessed as reduction in acetyl-coA prodution incubated for 60 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	7	ChEMBL_2024882 (CHEMBL4678695)	Inhibition of recombinant human ACSL4 assessed as reduction in acetyl-coA prodution incubated for 120 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	8	ChEMBL_2024883 (CHEMBL4678696)	Inhibition of recombinant human ACSL5 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	9	ChEMBL_2024884 (CHEMBL4678697)	Inhibition of recombinant human ACSL3 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	10	ChEMBL_2024885 (CHEMBL4678698)	Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	11	ChEMBL_2024886 (CHEMBL4678699)	Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011623	12	ChEMBL_2024887 (CHEMBL4678700)	Inhibition of ACSL1 (unknown origin) assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by MALDI-TOF MS analysis
50011624	1	ChEMBL_2024889 (CHEMBL4678702)	Inhibition of recombinant human full length His-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate by ADP-Glo reagent based assay
50011624	2	ChEMBL_2024899 (CHEMBL4678712)	Inhibition of recombinant human PI3Kbeta using PIP2 as substrate by ADP-Glo reagent based assay
50011624	3	ChEMBL_2024900 (CHEMBL4678713)	Inhibition of recombinant human full length His-tagged PI3Kdelta expressed in baculovirus expression system using PIP2 as substrate by ADP-Glo reagent based assay
50011624	4	ChEMBL_2024901 (CHEMBL4678714)	Inhibition of recombinant human GST-tagged PI3Kgamma (468 to 1203 residues) expressed in insect expression system using PIP2 as substrate by ADP-Glo reagent based assay
50011625	1	ChEMBL_2024999 (CHEMBL4678812)	Reversible inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues preincubated for 6 hrs followed by compound washout and measured after 2 hrs by immunofluorescence assay
50011625	2	ChEMBL_2025004 (CHEMBL4678817)	Reversible inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues preincubated for 6 hrs followed by compound washout and measured after 0.5 to 2 hrs by immunofluorescence assay
50011625	3	ChEMBL_2025055 (CHEMBL4678868)	Inhibition of CK1gamma1 (unknown origin) in presence of 5 mM ATP
50011625	4	ChEMBL_2025077 (CHEMBL4678890)	Binding affinity to human CDK9/CyclinT assessed as dissociation rate constant by surface plasmon resonance analysis
50011625	5	ChEMBL_2025079 (CHEMBL4678892)	Binding affinity to human CDK9/CyclinT assessed as equilibrium dissociation constant by surface plasmon resonance analysis
50011625	6	ChEMBL_2025080 (CHEMBL4678893)	Inhibition of human recombinant N-terminal GST-TEV tagged CDK12 (696 to 1082 residues)/full length human CyclinK expressed in baculovirus expression system using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 240 mins in presence of 5 mM ATP by mobility shift assay
50011625	7	ChEMBL_2025081 (CHEMBL4678894)	Inhibition of recombinant full length human CDK7/cyclinH1/MAT1 expressed in insect cells using 5FAM-YSPTSPSYSPTSPSYSPTSPSKKKK-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 120 mins in presence of 5 mM ATP by mobility shift assay
50011625	8	ChEMBL_2025082 (CHEMBL4678895)	Inhibition of CDK6 (unknown origin) in presence of 5 mM ATP
50011625	9	ChEMBL_2025083 (CHEMBL4678896)	Inhibition of CDK5 (unknown origin) in presence of 5 mM ATP
50011625	10	ChEMBL_2025084 (CHEMBL4678897)	Inhibition of CDK4 (unknown origin) in presence of 5 mM ATP
50011625	11	ChEMBL_2025085 (CHEMBL4678898)	Inhibition of CDK3 (unknown origin) in presence of 5 mM ATP
50011625	12	ChEMBL_2025086 (CHEMBL4678899)	Inhibition of recombinant full length human CDK2/CyclinE expressed in insect cells using FL-Ahx-QSPKKG-CONH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay
50011625	13	ChEMBL_2025087 (CHEMBL4678900)	Inhibition of recombinant full length human His-tagged CDK1/CyclinB expressed in baculovirus infected insect cells using 5FAM-RRRFRPASPLRGPPKCOOH as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay
50011625	14	ChEMBL_2025097 (CHEMBL4678910)	Inhibition of CK1gamma2 (unknown origin) in presence of 5 mM ATP
50011625	15	ChEMBL_2025098 (CHEMBL4678911)	Inhibition of DYRK2 (unknown origin) in presence of 5 mM ATP
50011625	16	ChEMBL_2025099 (CHEMBL4678912)	Inhibition of GSK3alpha (unknown origin) in presence of 5 mM ATP
50011625	17	ChEMBL_2025100 (CHEMBL4678913)	Inhibition of GSK3beta (unknown origin) in presence of 5 mM ATP
50011625	18	ChEMBL_2025101 (CHEMBL4678914)	Inhibition of JNK1 (unknown origin) in presence of 5 mM ATP
50011625	19	ChEMBL_2025111 (CHEMBL4678924)	Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus infected insect cells using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by MgCl2 addition and measured after 90 mins in presence of 5 mM ATP by mobility shift assay
50011625	20	ChEMBL_2025112 (CHEMBL4678925)	Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2 CTD phosphorylation at Ser2 residues measured after 6 hrs by immunofluorescence assay
50011625	21	ChEMBL_2025113 (CHEMBL4678926)	Inhibition of CDK9 in human MV4-11 cells assessed as induction of caspase-3/7 activation measured after 6 hrs followed by Caspase-glo reagent based assay
50011627	1	ChEMBL_2025116 (CHEMBL4678929)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	2	ChEMBL_2025117 (CHEMBL4678930)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	3	ChEMBL_2025118 (CHEMBL4678931)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	4	ChEMBL_2025119 (CHEMBL4678932)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	5	ChEMBL_2025120 (CHEMBL4678933)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	6	ChEMBL_2025121 (CHEMBL4678934)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	7	ChEMBL_2025122 (CHEMBL4678935)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH generating system addition and measured after 120 mins by LC-MS/MS
50011627	8	ChEMBL_2025127 (CHEMBL4678940)	Antagonist activity at P2Y12 in human whole blood assessed as suppression of ADP-induced decrease in PGE1-induced VASP phosphorylation measured after 10 mins by immunostaining based flow cytometric analysis
50011627	9	ChEMBL_2025130 (CHEMBL4678943)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition measured at 30 sec interval for upto 2 mins by spectrophotometric analysis
50011628	1	ChEMBL_2025178 (CHEMBL4678991)	Displacement of [125I]Sar-Ile-angiotensin 2 from human AT2 receptor expressed in HEK293 cells incubated for 240 mins by radiometric scintillation analysis
50011628	2	ChEMBL_2025182 (CHEMBL4678995)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysis
50011628	3	ChEMBL_2025185 (CHEMBL4678998)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysis
50011628	4	ChEMBL_2025186 (CHEMBL4678999)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysis
50011628	5	ChEMBL_2025187 (CHEMBL4679000)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 3 mins followed by NADPH addition by LC-MS/MS analysis
50011628	6	ChEMBL_2025189 (CHEMBL4679002)	Displacement of [125I]Sar-Ile-angiotensin 2 from human AT1 receptor expressed in HEK293 cells incubated for 240 mins by radiometric scintillation analysis
50011629	1	ChEMBL_2025265 (CHEMBL4679078)	Inhibition of CYP2C9 (unknown origin)
50011629	2	ChEMBL_2025266 (CHEMBL4679079)	Inhibition of CYP3A4 (unknown origin)
50011629	3	ChEMBL_2025270 (CHEMBL4679083)	Inhibition of mouse IDO1 expressed in HEK cells
50011629	4	ChEMBL_2025273 (CHEMBL4679086)	Inhibition of IDO1 in human whole blood
50011629	5	ChEMBL_2025274 (CHEMBL4679087)	Inhibition of TDO in HEK cells
50011629	6	ChEMBL_2025275 (CHEMBL4679088)	Inhibition of IDO1 in human SKOV3 cells
50011631	1	ChEMBL_2025287 (CHEMBL4679100)	Inhibition of COX-1 (unknown origin) assessed as reduction in PGH2 formation using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50011631	2	ChEMBL_2025288 (CHEMBL4679101)	Inhibition of COX-2 (unknown origin) assessed as reduction in PGH2 formation using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50011633	1	ChEMBL_2025370 (CHEMBL4679183)	Inhibition of CDK6/cyclin D1 (unknown origin)
50011633	2	ChEMBL_2025371 (CHEMBL4679184)	Inhibition of CDK4/cyclin D1 (unknown origin)
50011635	1	ChEMBL_2025426 (CHEMBL4679239)	Inhibition of c-Met (unknown origin) by mobility shift assay
50011637	1	ChEMBL_2025450 (CHEMBL4679263)	Inhibition of recombinant mouse sEH expressed in baculovirus expression system using MNPC as substrate by fluorescence-based assay
50011637	2	ChEMBL_2025451 (CHEMBL4679264)	Inhibition of recombinant rat sEH expressed in baculovirus expression system using MNPC as substrate by fluorescence-based assay
50011637	3	ChEMBL_2025452 (CHEMBL4679265)	Inhibition of recombinant human sEH expressed in baculovirus expression system using MNPC as substrate by fluorescence-based assay
50011638	1	ChEMBL_2025472 (CHEMBL4679285)	Agonist activity at wild type human alpha4beta2 transfected in rat GH4-C1 cells at holding potential of -70 mV by whole cell patch clamp electrophysiology method
50011638	2	ChEMBL_2025475 (CHEMBL4679288)	Displacement of [3H]-epibatidine from wild type human alpha4beta2 nAChR transfected in human Hela cell membranes preincubated for 5 mins followed by [3H]-epibatidine addition and measured after overnight incubation by liquid scintillation beta counter analysis
50011638	3	ChEMBL_2025476 (CHEMBL4679289)	Antagonist activity at human alpha3beta4 transfected in rat GH4-C1 cells assessed as inhibition of ACh-induced response at holding potential of -70 mV by whole cell patch clamp electrophysiology method
50011638	4	ChEMBL_2025478 (CHEMBL4679291)	Partial agonist activity at human alpha3beta4 transfected in rat GH4-C1 cells at holding potential of -70 mV by whole cell patch clamp electrophysiology method
50011638	5	ChEMBL_2025480 (CHEMBL4679293)	Partial agonist activity at human alpha4beta2 transfected in rat GH4-C1 cells at holding potential of -70 mV by whole cell patch clamp electrophysiology method
50011638	6	ChEMBL_2025483 (CHEMBL4679296)	Displacement of [125I]alpha-bungarotoxin from alpha7nAChR in rat hippocampus membranes preincubated for 5 mins followed by [125I]alpha-bungarotoxin addition and measured after overnight incubation by liquid scintillation beta counter analysis
50011638	7	ChEMBL_2025484 (CHEMBL4679297)	Displacement of [3H]-epibatidine from human alpha3beta4 transfected in HEK293 cell membranes preincubated for 5 mins followed by [3H]-epibatidine addition and measured after overnight incubation by liquid scintillation beta counter analysis
50011638	8	ChEMBL_2025485 (CHEMBL4679298)	Displacement of [3H]-Epibatidine from alpha4beta2 nAChR in rat cerebral cortex membrane preincubated for 5 mins followed by [3H]-Epibatidine addition and measured after overnight incubation by liquid scintillation beta counter analysis
50011639	1	ChEMBL_2025493 (CHEMBL4679306)	Binding affinity to recombinant human N-terminal His6-tagged BAZ1A (1446 to 1516 residues) expressed in Escherichia coli BL21 (DE3) cells by MST assay
50011640	1	ChEMBL_2025545 (CHEMBL4679358)	Inhibition of IDO1 (unknown origin) by enzymatic assay
50011640	2	ChEMBL_2025550 (CHEMBL4679363)	Inhibition of CYP2C9 (unknown origin)
50011640	3	ChEMBL_2025551 (CHEMBL4679364)	Inhibition of CYP2C8 (unknown origin)
50011640	4	ChEMBL_2025552 (CHEMBL4679365)	Inhibition of CYP2D6 (unknown origin)
50011640	5	ChEMBL_2025553 (CHEMBL4679366)	Inhibition of CYP3A4 (unknown origin)
50011640	6	ChEMBL_2025556 (CHEMBL4679369)	Inhibition of IDO1 in human whole blood
50011640	7	ChEMBL_2025561 (CHEMBL4679374)	Inhibition of IDO1 in human SKOV3 cells
50011640	8	ChEMBL_2025562 (CHEMBL4679375)	Inhibition of TDO in HEK cells
50011644	1	ChEMBL_2025594 (CHEMBL4679407)	Inhibition of TNIK (unknown origin) by mobility shift assay
50011644	2	ChEMBL_2025598 (CHEMBL4679411)	Inhibition of TNIK (unknown origin)
50011644	3	ChEMBL_2025599 (CHEMBL4679412)	Inhibition of GST-tagged human TNIK kinase domain (1 to 314 residues) expressed in baculovirus-infected Sf21 cells using FITC-epsilon-aminocaproic acid-Lys-Tyr-Lys-Thr-Leu-Arg-Gln as substrate incubated for 1 hr in presence of ATP by ATP competitive assay
50011645	1	ChEMBL_2025600 (CHEMBL4679413)	Inhibition of recombinant human maltase-glucoamylase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 35 mins by microtiter plate reader analysis
50011645	2	ChEMBL_2025601 (CHEMBL4679414)	Inhibition of human intestinal maltase using maltose as substrate incubated for 30 mins and immediately heated for 2 mins by glucose oxidase method
50011645	3	ChEMBL_2025605 (CHEMBL4679418)	Inhibition of human intestinal maltase
50011646	1	ChEMBL_2025609 (CHEMBL4679422)	Inhibition of KMO (unknown origin)
50011646	2	ChEMBL_2025610 (CHEMBL4679423)	Inhibition of mouse liver mitochondrial KMO using kynurenine as substrate by measuring the 3-HK formation preincubated for 5 mins followed by substrate addition and measured after 40 mins by LC-MS/MS analysis
50011646	3	ChEMBL_2025611 (CHEMBL4679424)	Inhibition of human KMO using L-kynurenine as substrate incubated for 25 mins in presence of NADPH by microplate reader based assay
50011646	4	ChEMBL_2025621 (CHEMBL4679434)	Inhibition of human liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins followed by substate addition and measured after 30 mins by LC-MS/MS analysis
50011646	5	ChEMBL_2025623 (CHEMBL4679436)	Inhibition of mouse liver mitochondrial KMO by measuring the 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins followed by substate addition and measured after 30 mins by LC-MS/MS analysis
50011647	1	ChEMBL_2025656 (CHEMBL4679469)	Antagonist activity at SHP2 in human KYSE520 cells assessed as inhibition of ERK1/2 phosphorylation incubated for 2 hrs
50011647	2	ChEMBL_2025657 (CHEMBL4679470)	Antagonist activity at recombinant human N-terminal His6-tagged full length SHP2 expressed in Escherichia coli using DiFMUP as substrate measured after 60 mins in presence of IRS1-2pY peptide by fluorescence assay
50011648	1	ChEMBL_2025658 (CHEMBL4679471)	Inhibition of human TLR9 expressed in HEK-Blue cells assessed as inhibition of ODN2006-induced NF-kappaB and AP-1 activation measured after 20 hrs by quanti-blue based SEAP reporter gene assay
50011648	2	ChEMBL_2025659 (CHEMBL4679472)	Inhibition of human TLR8 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB and AP-1 activation measured after 20 hrs by quanti-blue based SEAP reporter gene assay
50011648	3	ChEMBL_2025660 (CHEMBL4679473)	Inhibition of human TLR7 expressed in HEK-Blue cells assessed as inhibition of R848-induced NF-kappaB and AP-1 activation measured after 20 hrs by quanti-blue based SEAP reporter gene assay
50011649	1	ChEMBL_2025664 (CHEMBL4679477)	Inhibition of human full-length N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged Cyclin-T1 (1 to 726 residues) expressed in baculovirus expression system using PEP as substrate incubated for 17 mins in presence of ATP by TR-FRET assay
50011649	2	ChEMBL_2025665 (CHEMBL4679478)	Inhibition of recombinant human full-length GST-tagged CDK4/cyclinD1 expressed in baculovirus expression system using PEP as substrate incubated for 3 mins in presence of ATP by TR-FRET assay
50011649	3	ChEMBL_2025666 (CHEMBL4679479)	Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/cyclinD3 (1 to 292 residues) expressed in baculovirus expression system using PEP as substrate incubated for 3 mins in presence of ATP by TR-FRET assay
50011650	1	ChEMBL_2025670 (CHEMBL4679483)	Inhibition of FAK (31-686) (unknown origin) using 32P-ATP after 2 hrs incubation measured by scintillation counting
50011650	2	ChEMBL_2025671 (CHEMBL4679484)	Inhibition of IGF1R (unknown origin)
50011650	3	ChEMBL_2025672 (CHEMBL4679485)	Inhibition of Focal adhesion kinase (unknown origin)
50011650	4	ChEMBL_2025673 (CHEMBL4679486)	Inhibition of human GSK3beta
50011650	5	ChEMBL_2025674 (CHEMBL4679487)	Inhibition of Pyk2 (unknown origin)
50011650	6	ChEMBL_2025675 (CHEMBL4679488)	Inhibition of human CDK7/cyclinH/MAT1
50011650	7	ChEMBL_2025676 (CHEMBL4679489)	Inhibition of human CDK1/cyclinB
50011650	8	ChEMBL_2025677 (CHEMBL4679490)	Inhibition of GST-FAK domain (410-689) (unknown origin)
50011650	9	ChEMBL_2025678 (CHEMBL4679491)	Inhibition of human Focal adhesion kinase
50011650	10	ChEMBL_2025679 (CHEMBL4679492)	Inhibition of GST-FAK catalytic domain region (411-686) (unknown origin) expressed in baculovirus infected Sf9 cells by spectrophotometry
50011650	11	ChEMBL_2025685 (CHEMBL4679498)	Inhibition of PLK1 (unknown origin)
50011650	12	ChEMBL_2025699 (CHEMBL4679512)	Inhibition of Focal adhesion kinase (unknown origin) using Tyr 07 peptide substrate incubated for 60 mins at room temperature followed by 60 mins development reaction measured fluorescence by Z-LYTE assay
50011652	1	ChEMBL_2025776 (CHEMBL4679589)	Inhibition of recombinant full length C-terminal FLAG-tagged human HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011652	2	ChEMBL_2025777 (CHEMBL4679590)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011652	3	ChEMBL_2025778 (CHEMBL4679591)	Inhibition of recombinant full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011652	4	ChEMBL_2025779 (CHEMBL4679592)	Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011653	1	ChEMBL_2025796 (CHEMBL4679609)	Inhibition of mouse N-terminal His6-tagged GALC expressed in HEK293T cells using p-nitrophenyl-beta-D-galactopyranoside as substrate
50011655	1	ChEMBL_2025814 (CHEMBL4679627)	Binding affinity to recombinant soluble form urokinase-type plasminogen activator receptor (unknown origin) expressed in S2 cells assessed as inhibition of uPAR-biotin-labeled uPA ATF protein-protein interaction by biolayer interferometry
50011655	2	ChEMBL_2025815 (CHEMBL4679628)	Binding affinity to recombinant soluble form urokinase-type plasminogen activator receptor (unknown origin) expressed in S2 cells assessed as inhibition of uPAR-uPA ATF protein-protein interaction measured after 30 mins by ELISA
50011655	3	ChEMBL_2025816 (CHEMBL4679629)	Inhibition of AE147-FAM peptide binding to recombinant soluble form urokinase-type plasminogen activator receptor (unknown origin) expressed in S2 cells preincubated for 15 min followed by AE147-FAM peptide addition by fluorescence polarization assay
50011655	4	ChEMBL_2025817 (CHEMBL4679630)	Binding affinity to NT-495-labelled recombinant soluble form urokinase-type plasminogen activator receptor (unknown origin) expressed in S2 cells measured after 20 mins by microscale thermophoresis analysis
50011656	1	ChEMBL_2025839 (CHEMBL4679652)	Competitive binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by FRET assay
50011656	2	ChEMBL_2025840 (CHEMBL4679653)	Binding affinity to Magnetospirillum gryphiswaldense cereblon isoform by FRET assay
50011656	3	ChEMBL_2025841 (CHEMBL4679654)	Competitive binding affinity to Magnetospirillum gryphiswaldense cereblon isoform 4 by measuring baseline corrected normalized fluorescence by MST based assay
50011656	4	ChEMBL_2025842 (CHEMBL4679655)	Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence in presence of 0.5% DMSO by MST based assay
50011656	5	ChEMBL_2025843 (CHEMBL4679656)	Binding affinity to human CRBN-thalidomide binding domain expressed in Escherichia coli by measuring baseline corrected normalized fluorescence by MST based assay
50011656	6	ChEMBL_2025844 (CHEMBL4679657)	Binding affinity to Magnetospirillum gryphiswaldense cereblon isoform 4 by measuring baseline corrected normalized fluorescence by MST based assay
50011658	1	ChEMBL_2025861 (CHEMBL4679674)	Inhibition of His-tagged FGFR3 V555M mutant (unknown origin) expressed in insect cells using poly Glu-Tyr preincubated for 1 hr followed by substrate addition and measured after 1 hr by Lance Eu-W1024-antiphosphoTyrosine based TR-FRET assay
50011659	1	ChEMBL_2025868 (CHEMBL4679681)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50011659	2	ChEMBL_2025869 (CHEMBL4679682)	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50011659	3	ChEMBL_2025871 (CHEMBL4679684)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50011659	4	ChEMBL_2025872 (CHEMBL4679685)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50011659	5	ChEMBL_2025873 (CHEMBL4679686)	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay
50011659	6	ChEMBL_2025875 (CHEMBL4679688)	Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay based Schild analysis
50011659	7	ChEMBL_2025878 (CHEMBL4679691)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 6 hrs by beta-galactosidase cAMP assay
50011665	1	ChEMBL_2025880 (CHEMBL4679693)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting method
50011665	2	ChEMBL_2025881 (CHEMBL4679694)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 15 mins in presence of [33P]-ATP by liquid scintillation counting method
50011665	3	ChEMBL_2025885 (CHEMBL4679698)	Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at Ser473 residue
50011665	4	ChEMBL_2025888 (CHEMBL4679701)	Inhibition of CYP2C9 (unknown origin)
50011665	5	ChEMBL_2025893 (CHEMBL4679706)	Inhibition of DNA-PK (unknown origin)
50011665	6	ChEMBL_2025894 (CHEMBL4679707)	Inhibition of human ERG by planar patch clamp method
50011665	7	ChEMBL_2025895 (CHEMBL4679708)	Inhibition of CDK2 (unknown origin)
50011665	8	ChEMBL_2025896 (CHEMBL4679709)	Inhibition of FLT3 (unknown origin)
50011665	9	ChEMBL_2025897 (CHEMBL4679710)	Inhibition of GSK3B (unknown origin)
50011665	10	ChEMBL_2025898 (CHEMBL4679711)	Inhibition of IRAK4 (unknown origin)
50011665	11	ChEMBL_2025899 (CHEMBL4679712)	Inhibition of JAK2 (unknown origin)
50011665	12	ChEMBL_2025900 (CHEMBL4679713)	Inhibition of JNK3 (unknown origin)
50011665	13	ChEMBL_2025901 (CHEMBL4679714)	Inhibition of KDR (unknown origin)
50011665	14	ChEMBL_2025902 (CHEMBL4679715)	Inhibition of MET (unknown origin)
50011665	15	ChEMBL_2025903 (CHEMBL4679716)	Inhibition of PKA (unknown origin)
50011665	16	ChEMBL_2025904 (CHEMBL4679717)	Inhibition of PLK1 (unknown origin)
50011665	17	ChEMBL_2025905 (CHEMBL4679718)	Inhibition of ROCK1 (unknown origin)
50011665	18	ChEMBL_2025906 (CHEMBL4679719)	Inhibition of SRC (unknown origin)
50011665	19	ChEMBL_2025907 (CHEMBL4679720)	Inhibition of SYK (unknown origin)
50011666	1	ChEMBL_2025927 (CHEMBL4679740)	Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as induction of Vgamma9Vdelta2 T cells proliferation incubated for 3 days by gamma delta TCR/PE-CD3+ antibody staining based FACS analysis
50011667	1	ChEMBL_2025929 (CHEMBL4679742)	Antagonist activity at RORgamma in human PBMC assessed as inhibition of IL-22 production
50011667	2	ChEMBL_2025930 (CHEMBL4679743)	Antagonist activity at RORgamma in human whole blood assessed as inhibition of IL-17 production
50011667	3	ChEMBL_2025931 (CHEMBL4679744)	Binding affinity to RORgamma (unknown origin) by fluorescence polarization assay
50011667	4	ChEMBL_2025932 (CHEMBL4679745)	Inhibition of CYP3A4 (unknown origin)
50011667	5	ChEMBL_2025943 (CHEMBL4679756)	Antagonist activity at LXR alpha (unknown origin)
50011667	6	ChEMBL_2025950 (CHEMBL4679763)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in channel tail current by whole cell patch clamp assay
50011667	7	ChEMBL_2025956 (CHEMBL4679769)	Antagonist activity at RORgamma in human whole blood derived CD4-positive T cells assessed as inhibition of IL-17 secretion from differentiated Th17 cells preincubated for 1 hr and measured after 48 hrs
50011667	8	ChEMBL_2025958 (CHEMBL4679771)	Antagonist activity at GAL4 DBD-fused human RORgamma LBD expressed in pGL4.3 luc2P/GAL4UAS/hygro and pBIND transfected HEK293 cells assessed as inhibition of RORgamma driven transcriptional activity incubated for 20 to 24 hrs by Bright-Glo luciferase assay
50011667	9	ChEMBL_2025959 (CHEMBL4679772)	Antagonist activity at RORgamma in human PBMC assessed as reduction in anti-CD3/IL-23 stimulated IL-17 level measured after 3 days by MSD assay
50011669	1	ChEMBL_2025976 (CHEMBL4679789)	Inhibition of human CYP3A4 in pooled human liver microsomes using midazolam as substrate incubated for 5 mins by LC-MS/MS
50011669	2	ChEMBL_2025977 (CHEMBL4679790)	Inhibition of human CYP2D6 in pooled human liver microsomes using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS
50011669	3	ChEMBL_2025978 (CHEMBL4679791)	Inhibition of human CYP2C9 in pooled human liver microsomes using diclofenac as substrate incubated for 5 mins by LC-MS/MS
50011669	4	ChEMBL_2025987 (CHEMBL4679800)	Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 1 hr by Radioligand binding assay
50011669	5	ChEMBL_2025988 (CHEMBL4679801)	Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 1 hr by Radioligand binding assay
50011669	6	ChEMBL_2025989 (CHEMBL4679802)	Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 1 hr by Radioligand binding assay
50011669	7	ChEMBL_2025990 (CHEMBL4679803)	Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 1 hr by Radioligand binding assay
50011669	8	ChEMBL_2025999 (CHEMBL4679812)	Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubated for 30 mins
50011669	9	ChEMBL_2026000 (CHEMBL4679813)	Antagonist activity at human recombinant muscarinic receptor M3 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubated for 30 mins
50011669	10	ChEMBL_2026001 (CHEMBL4679814)	Antagonist activity at human recombinant muscarinic receptor M2 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubated for 30 mins
50011669	11	ChEMBL_2026002 (CHEMBL4679815)	Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubated for 30 mins
50011669	12	ChEMBL_2026007 (CHEMBL4679820)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50011670	1	ChEMBL_2026008 (CHEMBL4679821)	Binding affinity to folded P-loop conformation of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells by SPR analysis
50011670	2	ChEMBL_2026009 (CHEMBL4679822)	Inhibition of wild type N-terminal NH-tagged and avi-tagged dephosphorylated human c-MET (956 to 1390 residues) expressed in Sf21 cells using poly (Glu,Tyr) and ATP as substrate measured after 60 mins by ADP-Glo kinase assay
50011670	3	ChEMBL_2026011 (CHEMBL4679824)	Inhibition of c-Met phosphorylation at Tyr 1234/Tyr1235 residues in human NCI-H1993 cells incubated for 4 hrs by HTRF assay
50011673	1	ChEMBL_2026013 (CHEMBL4679826)	Inhibition of human DHODH (30 to 390 residues) expressed in Escherichia coli using dihydroorotate as substrate and CoQ10 as co-substrate by DCIP dye based spectrophotometry analysis
50011674	1	ChEMBL_2026014 (CHEMBL4679827)	Inhibition of recombinant human His6-tagged Galectin-3 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by HTRF assay
50011678	1	ChEMBL_2026015 (CHEMBL4679828)	Binding affinity to sigma 1 receptor (unknown origin)
50011678	2	ChEMBL_2026016 (CHEMBL4679829)	Binding affinity to sigma 2 receptor (unknown origin)
50011679	1	ChEMBL_2026017 (CHEMBL4679830)	Inhibition of non-phosphorylated CDK4/Cyclin D3 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as substrate preincubated with enzyme for 12 mins and measured after 35 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50011679	2	ChEMBL_2026018 (CHEMBL4679831)	Inhibition of non-phosphorylated CDK6/Cyclin D1 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as substrate preincubated with enzyme for 12 mins and measured after 35 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50011679	3	ChEMBL_2026019 (CHEMBL4679832)	Inhibition of recombinant full length wild-type phosphorylated CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as reduction in production of ADP using 5-FAM-QSPKKG-CONH2 peptide as substrate preincubated with enzyme for 15 mins followed by further incubation with ATP for 45 mins by fluorescence-based microfluidic mobility shift assay
50011680	1	ChEMBL_2026054 (CHEMBL4679867)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells using L-tryptophan as substrate measured after 48 hrs
50011680	2	ChEMBL_2026055 (CHEMBL4679868)	Inhibition of human IDO1 expressed in Escherichia coli Rosetta using tryptophan as substrate incubated for 1 hr by methylene blue based assay
50011680	3	ChEMBL_2026056 (CHEMBL4679869)	Inhibition of human TDO expressed in Escherichia coli Rosetta using tryptophan as substrate incubated for 1 hr by methylene blue based assay
50011682	1	ChEMBL_2026062 (CHEMBL4679875)	Inhibition of IDO1 in IFNgamma-induced human A-431 cells assessed as reduction in kynurenine production using tryptophan as substrate measured after 24 hrs by microplate reader assay
50011682	2	ChEMBL_2026064 (CHEMBL4679877)	Inhibition of recombinant human IDO1 measured after 60 mins by microplate reader assay
50011683	1	ChEMBL_2026071 (CHEMBL4679884)	Inhibition of recombinant human HPGDS expressed in Escherichia coli BL21 (DE3) measured after 3 mins by spectrophotometric analysis
50011683	2	ChEMBL_2026072 (CHEMBL4679885)	Binding affinity to recombinant human HPGDS expressed in Escherichia coli BL21 (DE3) measured after 1 hr by fluorescence polarization assay
50011683	3	ChEMBL_2026086 (CHEMBL4679899)	Inhibition of recombinant human HPGDS
50011683	4	ChEMBL_2026087 (CHEMBL4679900)	Inhibition of recombinant human HPGDS using [14C]-PGH2 as substrate preincubated for 1 min in presence of MgCl2 followed by substrate addition and measured after 45 mins by radioactive imaging analysis
50011685	1	ChEMBL_2026091 (CHEMBL4679904)	Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by substrate addition measured after 1 hr by pico-green reagent based fluorescence analysis
50011685	2	ChEMBL_2026094 (CHEMBL4679907)	Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by substrate addition measured after 48 hrs by pico-green reagent based fluorescence analysis
50011685	3	ChEMBL_2026095 (CHEMBL4679908)	Inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated for 1 hr followed by substrate addition measured after 30 mins by pico-green reagent based fluorescence analysis
50011687	1	ChEMBL_2026125 (CHEMBL4679938)	Inhibition of alpha1 nAChR (unknown origin)
50011687	2	ChEMBL_2026159 (CHEMBL4679972)	Inhibition of alpha7 nAChR (unknown origin)
50011687	3	ChEMBL_2026162 (CHEMBL4679975)	Transactivation of PXR (unknown origin)
50011687	4	ChEMBL_2026167 (CHEMBL4679980)	Inhibition of human CYP2C19
50011687	5	ChEMBL_2026168 (CHEMBL4679981)	Inhibition of human CYP450
50011687	6	ChEMBL_2026169 (CHEMBL4679982)	Inhibition of human CYP2C8
50011687	7	ChEMBL_2026170 (CHEMBL4679983)	Inhibition of human CYP2C9
50011687	8	ChEMBL_2026188 (CHEMBL4680001)	Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs by Rapid-fire mass spectrometry analysis
50011687	9	ChEMBL_2026189 (CHEMBL4680002)	Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by
50011687	10	ChEMBL_2026190 (CHEMBL4680003)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by
50011688	1	ChEMBL_2026195 (CHEMBL4680008)	Inhibition of PDE (unknown origin)
50011688	2	ChEMBL_2026196 (CHEMBL4680009)	Inhibition of INSR (unknown origin)
50011688	3	ChEMBL_2026198 (CHEMBL4680011)	Inhibition of COX2 (unknown origin)
50011688	4	ChEMBL_2026199 (CHEMBL4680012)	Inhibition of human ERG
50011688	5	ChEMBL_2026206 (CHEMBL4680019)	Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in presence of AMP-PNP by SPR assay
50011688	6	ChEMBL_2026207 (CHEMBL4680020)	Binding affinity to full length biotinylated 6His/Avi-tagged/Tev-fused human MEK1 expressed in Escherichia coli in absence of AMP-PNP by SPR assay
50011689	1	ChEMBL_2026352 (CHEMBL4680510)	Agonist activity at human MOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay
50011689	2	ChEMBL_2026354 (CHEMBL4680512)	Agonist activity at human KOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay
50011689	3	ChEMBL_2026356 (CHEMBL4680514)	Agonist activity at human DOR expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by luminescence assay
50011689	4	ChEMBL_2026358 (CHEMBL4680516)	Activity at human MOR expressed in CHOK1 cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment measured after 90 mins by PathHunter assay
50011689	5	ChEMBL_2026361 (CHEMBL4680519)	Activity at human MOR expressed in U2OS cells co-expressing beta-arrestin2 EFC assessed as beta-arrestin2 EFC recruitment by Tango assay
50011689	6	ChEMBL_2026364 (CHEMBL4680522)	Agonist activity at human MOR expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 5 mins with coelenterazine H followed by compound addition and measured after 15 mins by BRET assay
50011689	7	ChEMBL_2026366 (CHEMBL4680524)	Agonist activity at human MOR expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by PathHunter assay
50011690	1	ChEMBL_2026369 (CHEMBL4680527)	Inhibition of human TRPV6 expressed in HEK293 cells assessed as reduction in Cd2+ influx by calcium-5 fluorescence dye-based FLIPR assay
50011690	2	ChEMBL_2026393 (CHEMBL4680551)	Inhibition of human TRPV5 expressed in HEK293 cells assessed as reduction in Cd2+ influx by calcium-5 fluorescence dye-based FLIPR assay
50011693	1	ChEMBL_2026409 (CHEMBL4680567)	Inhibition of recombinant human His-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using biotin-labeled histone H4-20 as substrate incubated for 8 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	2	ChEMBL_2026410 (CHEMBL4680568)	Inhibition of recombinant human His-tagged PRMT3 expressed in Escherichia coli BL21 (DE3) using biotin-labeled SMD1 as substrate incubated for 10 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	3	ChEMBL_2026411 (CHEMBL4680569)	Inhibition of recombinant GST-tagged CARM1 (unknown origin) expressed in Escherichia coli using histone H3.3 peptide as substrate incubated for 120 mins in presence of [3H]-SAM cofactor by radioactive filter plate assay
50011693	4	ChEMBL_2026413 (CHEMBL4680571)	Inhibition of PRMT5/MEP50 (unknown origin) using biotin-labeled histone H4-20 peptide as substrate incubated for 8 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	5	ChEMBL_2026415 (CHEMBL4680573)	Inhibition of PRMT6 (unknown origin) using biotin-labeled SMD1 as substrate incubated for 30 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	6	ChEMBL_2026417 (CHEMBL4680575)	Inhibition of recombinant GST-tagged PRMT7 (unknown origin) expressed in Escherichia coli using biotin-labeled SMD1 as substrate incubated for 120 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	7	ChEMBL_2026419 (CHEMBL4680577)	Inhibition of recombinant His-tagged human PRMT8 expressed in Escherichia coli BL21 (DE3) using biotin-labeled histone H4-20 peptide as substrate incubated for 8 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	8	ChEMBL_2026420 (CHEMBL4680578)	Inhibition of recombinant His-tagged human G9a expressed in Escherichia coli BL21 (DE3) using biotin-labeled histone H3-20 peptide as substrate incubated for 30 mins in presence of [3H]-SAM cofactor by scintillation proximity assay
50011693	9	ChEMBL_2026430 (CHEMBL4680588)	Inhibition of PRMT1 (unknown origin)
50011694	1	ChEMBL_2026431 (CHEMBL4680589)	Induction of translocation of human glucocorticoid receptor expressed in HEK293T cells transduced with lentiviral vector expressing H2B-mCherry and GFP-GR assessed as effective dissociation constant measured every 130 sec for 22 mins by fluorescence imaging analysis
50011695	1	ChEMBL_2026439 (CHEMBL4680597)	Displacement of tracer K5 from N-terminal nanoluciferase-tagged RIOK2 (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50011695	2	ChEMBL_2026440 (CHEMBL4680598)	Inhibition of full length recombinant human MAPK8 using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	3	ChEMBL_2026441 (CHEMBL4680599)	Inhibition of full length recombinant human MAPK10 using peptide substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	4	ChEMBL_2026442 (CHEMBL4680600)	Inhibition of recombinant human GSK3alpha S449A mutant (2 to end residues) using YRRAAVPPSPSLSR peptide as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	5	ChEMBL_2026443 (CHEMBL4680601)	Inhibition of recombinant human SNRK E97G/P116A mutant (1 to 505 residues) using KKLRRTLSFAEPG peptide as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	6	ChEMBL_2026444 (CHEMBL4680602)	Inhibition of human HIPK1 (158 to 555 residues) using myelin ba as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	7	ChEMBL_2026445 (CHEMBL4680603)	Binding affinity to RIOK2 (unknown origin)
50011695	8	ChEMBL_2026446 (CHEMBL4680604)	Binding affinity to full length recombinant human MAPK8 using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	9	ChEMBL_2026447 (CHEMBL4680605)	Binding affinity to full length recombinant human MAPK10 using peptide substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	10	ChEMBL_2026448 (CHEMBL4680606)	Binding affinity to recombinant human GSK3alpha S449A mutant (2 to end residues) using YRRAAVPPSPSLSR peptide as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	11	ChEMBL_2026449 (CHEMBL4680607)	Binding affinity to recombinant human SNRK E97G/P116A mutant (1 to 505 residues) using KKLRRTLSFAEPG peptide as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011695	12	ChEMBL_2026450 (CHEMBL4680608)	Binding affinity to human HIPK1 (158 to 555 residues) using myelin ba as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation analysis
50011697	1	ChEMBL_2026475 (CHEMBL4680633)	Binding affinity to recombinant full length N-terminal GST-tagged human survivin expressed in Escherichia coli BL21 incubated for 1 hr under shaking condition by fluorescence microplate reader assay
50011699	1	ChEMBL_2026542 (CHEMBL4680700)	Inhibition of human full length FLAG-tagged PRMT5/human His6-tagged MEP50 expressed in baculovirus-infected Sf9 cells assessed as reduction in tritium incorporation into peptide substrate using human Histone H4 (1 to 15 residues) and [3H]SAM as substrate preincubated with enzyme and H4 for 30 mins followed by [3H]SAM addition and measured after 120 mins by radioactive flashplate assay
50011699	2	ChEMBL_2026543 (CHEMBL4680701)	Inhibition of PRMT5 in human Z138 cells assessed as reduction in symmetrical dimethylation of arginine containing substrate using SmD3 as substrate incubated for 4 days by In-cell western assay
50011700	1	ChEMBL_2026807 (CHEMBL4680965)	Binding affinity to human CBS by PLP fluorescence-based screening assay
50011702	1	ChEMBL_2026823 (CHEMBL4680981)	Inhibition of human ERG by IonWorks patch-clamp electrophysiology method
50011703	1	ChEMBL_2026867 (CHEMBL4681025)	Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay
50011703	2	ChEMBL_2026869 (CHEMBL4681027)	Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay
50011703	3	ChEMBL_2026871 (CHEMBL4681029)	Agonist activity at human CAR
50011703	4	ChEMBL_2026872 (CHEMBL4681030)	Agonist activity at human LXR-beta
50011703	5	ChEMBL_2026873 (CHEMBL4681031)	Agonist activity at human PPAR-alpha
50011703	6	ChEMBL_2026874 (CHEMBL4681032)	Agonist activity at human PPAR-delta
50011703	7	ChEMBL_2026875 (CHEMBL4681033)	Agonist activity at human PPAR-gamma
50011703	8	ChEMBL_2026876 (CHEMBL4681034)	Agonist activity at human PXR
50011703	9	ChEMBL_2026878 (CHEMBL4681036)	Agonist activity at human RXR-alpha
50011703	10	ChEMBL_2026879 (CHEMBL4681037)	Agonist activity at human VDR
50011703	11	ChEMBL_2026880 (CHEMBL4681038)	Agonist activity at human ER
50011703	12	ChEMBL_2026881 (CHEMBL4681039)	Agonist activity at human PR
50011703	13	ChEMBL_2026882 (CHEMBL4681040)	Agonist activity at human TR
50011703	14	ChEMBL_2026883 (CHEMBL4681041)	Agonist activity at human GR
50011704	1	ChEMBL_2026931 (CHEMBL4681089)	Agonist activity at human 5-HT2C receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 direct dye based FLIPR assay
50011704	2	ChEMBL_2026935 (CHEMBL4681093)	Agonist activity at human 5-HT2B receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 direct dye based FLIPR assay
50011704	3	ChEMBL_2026939 (CHEMBL4681097)	Agonist activity at human 5-HT2A receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 direct dye based FLIPR assay
50011704	4	ChEMBL_2026943 (CHEMBL4681101)	Agonist activity at human 5-HT2C INI receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 direct dye based FLIPR assay
50011704	5	ChEMBL_2026946 (CHEMBL4681104)	Agonist activity at human 5-HT2C INI receptor expressed in human HEK293 cells assessed as induction of beta-arrestin-2 recruitment incubated for 20 hrs by Tango assay
50011704	6	ChEMBL_2026951 (CHEMBL4681109)	Agonist activity at MT1 (unknown origin) expressed in HEK293T cells incubated for 15 mins by melatonin Gi/o-mediated cAMP inhibition GloSensor assay
50011704	7	ChEMBL_2026952 (CHEMBL4681110)	Agonist activity at MT2(unknown origin) expressed in HEK293T cells incubated for 15 mins by melatonin Gi/o-mediated cAMP inhibition GloSensor assay
50011706	1	ChEMBL_2026963 (CHEMBL4681121)	Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
50011706	2	ChEMBL_2026964 (CHEMBL4681122)	Agonist activity at human S1P3 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
50011706	3	ChEMBL_2026973 (CHEMBL4681131)	Binding affinity to human S1P1
50011706	4	ChEMBL_2026975 (CHEMBL4681133)	Agonist activity at human S1P1 assessed as stimulation of cAMP accumulation
50011706	5	ChEMBL_2026979 (CHEMBL4681137)	Agonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
50011706	6	ChEMBL_2026986 (CHEMBL4681144)	Inhibition of human ERG by patch clamp assay
50011706	7	ChEMBL_2026989 (CHEMBL4681147)	Transactivation of PXR (unknown origin)
50011706	8	ChEMBL_2026990 (CHEMBL4681148)	Inhibition of CYP1A2 (unknown origin)
50011706	9	ChEMBL_2026991 (CHEMBL4681149)	Inhibition of CYP2B6 (unknown origin)
50011706	10	ChEMBL_2026992 (CHEMBL4681150)	Inhibition of CYP2C9 (unknown origin)
50011706	11	ChEMBL_2026993 (CHEMBL4681151)	Inhibition of CYP2C19 (unknown origin)
50011706	12	ChEMBL_2026994 (CHEMBL4681152)	Inhibition of CYP2D6 (unknown origin)
50011706	13	ChEMBL_2026995 (CHEMBL4681153)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy resorufin as substrate
50011706	14	ChEMBL_2026996 (CHEMBL4681154)	Inhibition of CYP2C8 (unknown origin)
50011708	1	ChEMBL_2027037 (CHEMBL4681195)	Inhibition of fibrinogen binding to alpha2bbeta3 isolated from human HEL cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011708	2	ChEMBL_2027038 (CHEMBL4681196)	Inhibition of fibronectin binding to alpha5beta1 isolated from human K562 cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011708	3	ChEMBL_2027044 (CHEMBL4681202)	Agonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	4	ChEMBL_2027045 (CHEMBL4681203)	Antagonist activity at alphaVbeta3 in human SK-MEL-24 cells assessed as reduction in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	5	ChEMBL_2027048 (CHEMBL4681206)	Agonist activity at alphaVbeta5 in human MCF7 cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	6	ChEMBL_2027049 (CHEMBL4681207)	Antagonist activity at alphaVbeta5 in human MCF7 cells assessed as reduction in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	7	ChEMBL_2027050 (CHEMBL4681208)	Agonist activity at alphaVbeta6 in human HT-29 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	8	ChEMBL_2027051 (CHEMBL4681209)	Antagonist activity at alphaVbeta6 in human HT-29 cells assessed as reduction in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	9	ChEMBL_2027052 (CHEMBL4681210)	Agonist activity at alpha5beta1 in human K562 cells assessed as increase in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	10	ChEMBL_2027053 (CHEMBL4681211)	Antagonist activity at alpha5beta1 in human K562 cells assessed as reduction in cell adhesion to fibronectin pre-incubated for 30 mins before fibronectin and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	11	ChEMBL_2027054 (CHEMBL4681212)	Agonist activity at alpha4beta1 in human Jurkat E6.1 cells assessed as increase in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and further incubated for 30 mins by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	12	ChEMBL_2027055 (CHEMBL4681213)	Agonist activity at alpha2bbeta3 in human HEL cells assessed as increase in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	13	ChEMBL_2027056 (CHEMBL4681214)	Antagonist activity at alpha2bbeta3 in human HEL cells assessed as reduction in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinogen and further incubated for 1 hr by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	14	ChEMBL_2027057 (CHEMBL4681215)	Antagonist activity at alpha4beta1 in human Jurkat E6.1 cells assessed as reduction in cell adhesion to VCAM1 pre-incubated for 30 mins before VCAM1 and further incubated for 30 mins by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	15	ChEMBL_2027058 (CHEMBL4681216)	Agonist activity at alphaLbeta2 in human Jurkat E6.1 cells assessed as increase in cell adhesion to ICAM1 pre-incubated for 30 mins before ICAM1 and further incubated for 30 mins by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	16	ChEMBL_2027059 (CHEMBL4681217)	Antagonist activity at alphaLbeta2 in human Jurkat E6.1 cells assessed as reduction in cell adhesion to ICAM1 pre-incubated for 30 mins before ICAM1 and further incubated for 30 mins by nitrophenyl-N-acetyl-beta-D-glucosaminide substrate based chromogenic assay
50011708	17	ChEMBL_2027060 (CHEMBL4681218)	Inhibition of fibronectin binding to human recombinant alphaVbeta3 expressed in HEK293 cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011708	18	ChEMBL_2027061 (CHEMBL4681219)	Inhibition of fibrinogen binding to alphaVbeta5 isolated form human mCf7 cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011708	19	ChEMBL_2027062 (CHEMBL4681220)	Inhibition of fibronectin binding to alphaVbeta6 isolated form human HT-29 cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011708	20	ChEMBL_2027063 (CHEMBL4681221)	Inhibition of fibronectin binding to alpha4bbeta1 isolated from human Jurkat E6.1 cells incubated for 1 hr by scintillation-proximity assay based competitive solid-phase binding assay
50011709	1	ChEMBL_2027086 (CHEMBL4681244)	Inhibition of Electrophorus electricus AChE pre-incubated for 10 mins before addition of acetylthiocholine iodide substrate and further incubated for 15 mins by Ellman's method
50011709	2	ChEMBL_2027087 (CHEMBL4681245)	Inhibition of horse serum BuChE pre-incubated for 10 mins before addition of butyrylthiocholine iodide substrate and further incubated for 15 mins by Ellman's method
50011709	3	ChEMBL_2027088 (CHEMBL4681246)	Inhibition of AChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's method
50011709	4	ChEMBL_2027089 (CHEMBL4681247)	Inhibition of BuChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of butyrylthiocholine iodide substrate by Ellman's method
50011710	1	ChEMBL_2027128 (CHEMBL4681286)	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting
50011710	2	ChEMBL_2027130 (CHEMBL4681288)	Displacement of [3H]-spiperone from DRD2 in rat striatum by scintillation counting
50011710	3	ChEMBL_2027131 (CHEMBL4681289)	Displacement of [3H]-7-OH-DPAT from DRD3 in rat olfactory tubercle by scintillation counting
50011711	1	ChEMBL_2027165 (CHEMBL4681323)	Inhibition of GST-tagged human TMPK expressed in Escherichia coli BL21 incubated for 10 mins by luciferase-coupled TMPK assay
50011712	1	ChEMBL_2027198 (CHEMBL4681356)	Allosteric inhibition of C-terminal His-tagged recombinant human HDAC3 expressed in Sf9 cells pre-incubated for 2 hrs before acetylated lysine-aminomethyl coumarin-BOC addition and measured after 2 hrs by fluorescence based assay
50011712	2	ChEMBL_2027199 (CHEMBL4681357)	Allosteric inhibition of HDAC3 in HEK293 cell lysates pre-incubated for 2 hrs before acetylated lysine-aminomethyl coumarin-BOC addition and measured after 2 hrs by fluorescence based assay
50011712	3	ChEMBL_2027202 (CHEMBL4681360)	Inhibition of C-terminal His-tagged recombinant human HDAC1 expressed in Sf9 cells pre-incubated for 2 hrs before acetylated lysine-aminomethyl coumarin-BOC addition and measured after 2 hrs by fluorescence based assay
50011712	4	ChEMBL_2027203 (CHEMBL4681361)	Inhibition of C-terminal His-tagged recombinant human HDAC2 expressed in Sf9 cells pre-incubated for 2 hrs before acetylated lysine-aminomethyl coumarin-BOC addition and measured after 2 hrs by fluorescence based assay
50011713	1	ChEMBL_2027226 (CHEMBL4681384)	Inhibition of human TrkA expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence based assay
50011713	2	ChEMBL_2027227 (CHEMBL4681385)	Inhibition of human TrkB expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence based assay
50011713	3	ChEMBL_2027228 (CHEMBL4681386)	Inhibition of human TrkC expressed in human U2OS cells pre-incubated 30 mins before neurotrophin addition and measured after 2 hrs by luminescence based assay
50011713	4	ChEMBL_2027231 (CHEMBL4681389)	Inhibition of dofetilide binding to human ERG
50011713	5	ChEMBL_2027247 (CHEMBL4681405)	Inhibition of human ERG by electrophysiology assay
50011713	6	ChEMBL_2027264 (CHEMBL4681422)	Inhibition of COX1 (unknown origin)
50011713	7	ChEMBL_2027265 (CHEMBL4681423)	Inhibition of dopamine transporter (unknown origin)
50011713	8	ChEMBL_2027271 (CHEMBL4681429)	Inhibition of MUSK (unknown origin)
50011713	9	ChEMBL_2027272 (CHEMBL4681430)	Inhibition of FLT3 (unknown origin)
50011713	10	ChEMBL_2027273 (CHEMBL4681431)	Inhibition of IRAK1 (unknown origin)
50011715	1	ChEMBL_2027334 (CHEMBL4681492)	Inhibition of human 11beta-HSD1 expressed in HEK293 cells using cortisone in presence of NADPH regenerating-system incubated for 1 hr by ELISA
50011715	2	ChEMBL_2027338 (CHEMBL4681496)	Inhibition of CYP1A2 in pooled human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50011715	3	ChEMBL_2027339 (CHEMBL4681497)	Inhibition of CYP2C9 in pooled human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50011715	4	ChEMBL_2027340 (CHEMBL4681498)	Inhibition of CYP2C19 in pooled human liver microsomes using mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50011715	5	ChEMBL_2027341 (CHEMBL4681499)	Inhibition of CYP2D6 in pooled human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50011715	6	ChEMBL_2027342 (CHEMBL4681500)	Inhibition of CYP3A4 in pooled human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50011715	7	ChEMBL_2027344 (CHEMBL4681502)	Inhibition of human 11beta-HSD1 expressed in microsomes
50011715	8	ChEMBL_2027345 (CHEMBL4681503)	Inhibition of mouse 11beta-HSD1 expressed in microsomes
50011715	9	ChEMBL_2027348 (CHEMBL4681506)	Inhibition of human 11beta-HSD2 expressed in microsomes
50011715	10	ChEMBL_2027350 (CHEMBL4681508)	Agonist activity at glucocorticoid receptor (unknown origin)
50011715	11	ChEMBL_2027351 (CHEMBL4681509)	Antagonist activity at glucocorticoid receptor (unknown origin)
50011715	12	ChEMBL_2027352 (CHEMBL4681510)	Agonist activity at mineralocorticoid receptor (unknown origin)
50011715	13	ChEMBL_2027353 (CHEMBL4681511)	Antagonist activity at mineralocorticoid receptor (unknown origin)
50011715	14	ChEMBL_2027354 (CHEMBL4681512)	Inhibition of UGT1A1 (unknown origin)
50011715	15	ChEMBL_2027356 (CHEMBL4681514)	Inhibition of PDE4 (unknown origin)
50011715	16	ChEMBL_2027391 (CHEMBL4681549)	Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay
50011721	1	ChEMBL_2027414 (CHEMBL4681572)	Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay
50011721	2	ChEMBL_2027416 (CHEMBL4681574)	Binding affinity to GST-tagged ERRalpha LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay
50011721	3	ChEMBL_2027417 (CHEMBL4681575)	Binding affinity to GST-tagged ERRbeta LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay
50011721	4	ChEMBL_2027418 (CHEMBL4681576)	Binding affinity to GST-tagged ERalpha LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co-regulator assay
50011721	5	ChEMBL_2027427 (CHEMBL4681585)	Inhibition of human ERG measured after 4 hrs by fluorescence polarization assay
50011722	1	ChEMBL_2027458 (CHEMBL4681616)	Inhibition of human recombinant MAGL using 4-NPA substrate incubated for 30 mins
50011722	2	ChEMBL_2027463 (CHEMBL4681621)	Competitive inhibition of human recombinant MAGL using 4-NPA substrate incubated for 30 mins by Michaelis-Menten kinetics analysis
50011722	3	ChEMBL_2027464 (CHEMBL4681622)	Inhibition of FAAH (unknown origin) incubated for 30 mins using AMC arachidonoylamide substrate by fluorescence based assay
50011724	1	ChEMBL_2027488 (CHEMBL4681646)	Inhibition of recombinant HDAC1 (unknown origin) incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrate
50011724	2	ChEMBL_2027489 (CHEMBL4681647)	Inhibition of recombinant HDAC2 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrate
50011724	3	ChEMBL_2027490 (CHEMBL4681648)	Inhibition of recombinant HDAC3 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrate
50011724	4	ChEMBL_2027491 (CHEMBL4681649)	Inhibition of recombinant HDAC6 (unknown origin)incubated for 15 mins before substrate addition and measured after 30 to 45 mins by HDAC-Glo substrate
50011725	1	ChEMBL_2027510 (CHEMBL4681668)	Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay
50011726	1	ChEMBL_2027527 (CHEMBL4681685)	Inhibition of wild-type androgen receptor in human LAPC4 cells assessed as inhibition of DHT-induced luciferase activity measured after 24 hrs by luciferase reporter assay
50011728	1	ChEMBL_2027536 (CHEMBL4681694)	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay
50011728	2	ChEMBL_2027537 (CHEMBL4681695)	Inhibition of IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay
50011728	3	ChEMBL_2027538 (CHEMBL4681696)	Inhibition of wild type IDH1 (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay
50011728	4	ChEMBL_2027539 (CHEMBL4681697)	Inhibition of wild type IDH2 (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay
50011728	5	ChEMBL_2027540 (CHEMBL4681698)	Inhibition of wild type G6PD (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay
50011728	6	ChEMBL_2027541 (CHEMBL4681699)	Inhibition of active recombinant human N-terminal His-tagged 11-betaHSD1 expressed in Escherichia coli using cortisone, NADPH and glucose-6-phosphate incubated for 2 hrs by glucose-6-phosphate dehydrogenase based coupled HTRF immuno-competitive assay
50011728	7	ChEMBL_2027542 (CHEMBL4681700)	Allosteric inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as reduction in 2-HG production incubated for 48 hrs by LC-MS/MS analysis
50011728	8	ChEMBL_2027544 (CHEMBL4681702)	Allosteric inhibition of Myc-tagged IDH1 R132H mutant (unknown origin) expressed in human THP-1 cells assessed as inhibition of 2-HG production incubated for 5 days in presence of doxycycline by by LC-MS/MS analysis
50011730	1	ChEMBL_2027557 (CHEMBL4681715)	Binding affinity to SMYD2 (unknown origin) by ITC assay
50011730	2	ChEMBL_2027562 (CHEMBL4681720)	Inhibition of SMYD2 (unknown origin)
50011730	3	ChEMBL_2027563 (CHEMBL4681721)	Inhibition of SMYD2 (unknown origin) expressed in in human U2OS cells assessed as reduction in monomethylated p53 levels incubated for 24 hrs by immunofluorescence assay
50011730	4	ChEMBL_2027565 (CHEMBL4681723)	Inhibition of SMYD2 (unknown origin) expressed in in human U2OS cells assessed as reduction in cell count incubated for 24 hrs by DAPI staining based assay
50011731	1	ChEMBL_2027628 (CHEMBL4681786)	Inhibition of human erythrocyte CuZn-SOD by NBT dye based spectrophotometry
50011733	1	ChEMBL_2027653 (CHEMBL4681811)	Inhibition of protein interaction between C-terminal 6x-histidine tagged full-length beta-catenin (1 to 781 residues) (unknown origin)/N-terminal biotinylated human BCL9 ( 350 to 375 residues) incubated for 1 hr by Alpha-screen competitive inhibition assay
50011733	2	ChEMBL_2027654 (CHEMBL4681812)	Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 (unknown origin) by Alpha-screen competitive inhibition assay
50011733	3	ChEMBL_2027664 (CHEMBL4681822)	Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in HEK293 cells transfected with beta-catenin assessed as reduction in Wnt/beta-catenin transactivation incubated for 24 hrs by Wnt-responsive TOP-Flash luciferase reporter assay
50011733	4	ChEMBL_2027665 (CHEMBL4681823)	Inhibition of protein interaction between beta-catenin (unknown origin)/BCL9 in human SW480 cells transfected with beta-catenin assessed as reduction in Wnt/beta-catenin transactivation incubated for 24 hrs by Wnt-responsive TOP-Flash luciferase reporter assay
50011735	1	ChEMBL_2027717 (CHEMBL4681875)	Inhibition of recombinant human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50011735	2	ChEMBL_2027718 (CHEMBL4681876)	Inhibition of recombinant human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50011735	3	ChEMBL_2027719 (CHEMBL4681877)	Inhibition of recombinant human carbonic anhydrase 7 by stopped-flow CO2 hydration assay
50011735	4	ChEMBL_2027720 (CHEMBL4681878)	Inhibition of recombinant human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50011737	1	ChEMBL_2027809 (CHEMBL4681967)	Inhibition of TNIK (unknown origin) in presence of 10 uM ATP
50011737	2	ChEMBL_2027810 (CHEMBL4681968)	Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system at physiological ATP concentration
50011737	3	ChEMBL_2027811 (CHEMBL4681969)	Inhibition of MINK (unknown origin) in presence of 10 uM ATP
50011737	4	ChEMBL_2027822 (CHEMBL4681980)	Inhibition of human ERG expressed in HEK293 cells
50011737	5	ChEMBL_2027824 (CHEMBL4681982)	Inhibition of CYP2C8 (unknown origin)
50011737	6	ChEMBL_2027825 (CHEMBL4681983)	Inhibition of CYP2C9 (unknown origin)
50011737	7	ChEMBL_2027826 (CHEMBL4681984)	Inhibition of CYP1A2 (unknown origin)
50011737	8	ChEMBL_2027827 (CHEMBL4681985)	Inhibition of CYP3A4 (unknown origin)
50011737	9	ChEMBL_2027828 (CHEMBL4681986)	Inhibition of CYP2D6 (unknown origin)
50011737	10	ChEMBL_2027832 (CHEMBL4681990)	Inhibition of PDE5A1 (unknown origin)
50011737	11	ChEMBL_2027836 (CHEMBL4681994)	Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 30 mins before Ser/Thr 07 peptide substrate and 10 uM ATP addition and further incubated for 90 mins by Z'-lyte assay
50011737	12	ChEMBL_2027837 (CHEMBL4681995)	Inhibition of MAP4K4 in human GripTite 293 MSR cells assessed as reduction in TRAF2 Ser/Thr phosphorylation incubated for 1.5 hrs by ELISA
50011737	13	ChEMBL_2027841 (CHEMBL4681999)	Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 30 mins before Ser/Thr 07 peptide substrate and 1 mM ATP addition and further incubated for 90 mins by Z'-lyte assay
50011737	14	ChEMBL_2027858 (CHEMBL4682016)	Inhibition of Aurora A (unknown origin)
50011737	15	ChEMBL_2027859 (CHEMBL4682017)	Inhibition of ABL (unknown origin)
50011739	1	ChEMBL_2027928 (CHEMBL4682086)	Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential preincubated for 5 mins followed by Ach stimulation by two electrode voltage-clamp assay
50011739	2	ChEMBL_2027929 (CHEMBL4682087)	Activation of human GABAB1/GABAB2 expressed in HEK293 cells co-transfected with rat CaV2.2 channel assessed as reduction in CaV2.2-mediated peak-current amplitude in response to the depolarizing pulse by whole cell patch clamp assay
50011739	3	ChEMBL_2027936 (CHEMBL4682094)	Inhibition of rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -80 mV holding potential preincubated for 5 mins followed by Ach stimulation by two electrode voltage-clamp assay
50011743	1	ChEMBL_2027957 (CHEMBL4682115)	Inhibition of human 20S constitutive proteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	2	ChEMBL_2027958 (CHEMBL4682116)	Inhibition of human 20S constitutive proteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	3	ChEMBL_2027959 (CHEMBL4682117)	Inhibition of human 20S constitutive proteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	4	ChEMBL_2027960 (CHEMBL4682118)	Inhibition of human 20S immunoproteasome beta 1 subunit caspase-like activity using fluorogenic peptide Ac-nLPnLD-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	5	ChEMBL_2027961 (CHEMBL4682119)	Inhibition of human 20S immunoproteasome beta 2 subunit trypsin-like activity using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	6	ChEMBL_2027962 (CHEMBL4682120)	Inhibition of human 20S immunoproteasome beta 5 subunit chymotrypsin-like activity using fluorogenic peptide Ac-WLA-AMC as substrate in presence of PA28alpha incubated for 1 to 2 hrs by fluorescence microplate reader assay
50011743	7	ChEMBL_2027963 (CHEMBL4682121)	Binding affinity to human 20S constitutive proteasome beta 5 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLA-AMC as substrate in presence of PA28alpha by fluorescence based microplate reader assay
50011743	8	ChEMBL_2027965 (CHEMBL4682123)	Binding affinity to human 20S constitutive proteasome beta 2 subunit assessed as equilibrium constant using fluorogenic peptide Ac-WLR-AMC as substrate in presence of PA28alpha by fluorescence based microplate reader assay
50011744	1	ChEMBL_2027995 (CHEMBL4682153)	Inhibition of C-terminal HSP90beta (527 to 724 residues) (unknown origin) interaction with CYP40 measured after 30 mins by AlphaLISA assay
50011744	2	ChEMBL_2027996 (CHEMBL4682154)	Inhibition of C-terminal HSP90beta (527 to 724 residues) (unknown origin) interaction with CYP40 measured after 30 mins by Alphascreen assay
50011745	1	ChEMBL_2028061 (CHEMBL4682219)	Inhibition of ATM (unknown origin) by biochemical assay
50011745	2	ChEMBL_2028062 (CHEMBL4682220)	Inhibition of ATM in human MCF7 cells assessed as reduction in KAP1 phosphorylation
50011745	3	ChEMBL_2028066 (CHEMBL4682224)	Inhibition of recombinant full-length human FLAG-tagged ATM assessed as reduction in p53 S15 phosphorylation incubated for 30 mins by ELISA
50011745	4	ChEMBL_2028067 (CHEMBL4682225)	Inhibition of ATM in human MCF7 cells assessed as reduction in etoposide-stimulated KAP1 phosphorylation incubated for 1 hr by ICW assay
50011745	5	ChEMBL_2028072 (CHEMBL4682230)	Binding affinity to human Vps34 expressed in mammalian expression system
50011745	6	ChEMBL_2028074 (CHEMBL4682232)	Inhibition of ATR in human HeLa cells incubated for 4 hrs
50011745	7	ChEMBL_2028075 (CHEMBL4682233)	Inhibition of recombinant full-length human VPS34 incubated for 60 mins by ADP-Glo kinase assay
50011745	8	ChEMBL_2028076 (CHEMBL4682234)	Inhibition of DNA-PK isolated from human HeLa cells assessed as reduction in p53 Ser15 phosphorylation by HTRF assay
50011747	1	ChEMBL_2028153 (CHEMBL4682311)	Inhibition of PD-1/PDL1 interaction (unknown origin) by HTRF assay
50011749	1	ChEMBL_2028184 (CHEMBL4682342)	Inhibition of DHODH in human HEK-293 cells transfected with ISRE-luciferase reporter gene assessed as increase in IFN-alpha mediated cellular response upto 72 hrs by luciferase reporter gene assay
50011750	1	ChEMBL_2028252 (CHEMBL4682410)	Inhibition of MMP-9 (unknown origin) by colorimetric assay
50011750	2	ChEMBL_2028253 (CHEMBL4682411)	Inhibition of MMP-2 (unknown origin) by colorimetric assay
50011750	3	ChEMBL_2028254 (CHEMBL4682412)	Inhibition of MMP-1 (unknown origin) by colorimetric assay
50011750	4	ChEMBL_2028255 (CHEMBL4682413)	Inhibition of MMP-13 (unknown origin) by colorimetric assay
50011750	5	ChEMBL_2028256 (CHEMBL4682414)	Inhibition of human AKT assessed as inhibition of substrate phosphorylation using AKTide-2T as substrate
50011751	1	ChEMBL_2028428 (CHEMBL4682586)	Inhibition of human N-terminal GST-fused Axl cytoplasmic domain (464 to 885 residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by mobility shift assay
50011751	2	ChEMBL_2028429 (CHEMBL4682587)	Inhibition of human N-terminal GST-fused c-MET cytoplasmic domain (956 to 1390 residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by mobility shift assay
50011751	3	ChEMBL_2028430 (CHEMBL4682588)	Inhibition of human N-terminal GST-fused KDR cytoplasmic domain (790 to 1356 residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by mobility shift assay
50011751	4	ChEMBL_2028431 (CHEMBL4682589)	Inhibition of human N-terminal GST-tagged c-Kit cytoplasmic domain (544 to end residues) expressed in baculovirus infected Sf21 insect cells using peptide substrate measured after 1 hr by mobility shift assay
50011751	5	ChEMBL_2028432 (CHEMBL4682590)	Inhibition of human N-terminal GST-fused FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by mobility shift assay
50011751	6	ChEMBL_2028433 (CHEMBL4682591)	Inhibition of human His-tagged PDGFRB cytoplasmic domain expressed in baculovirus expression system using peptide substrate measured after 1 hr by mobility shift assay
50011751	7	ChEMBL_2028434 (CHEMBL4682592)	Inhibition of MER (unknown origin)
50011751	8	ChEMBL_2028435 (CHEMBL4682593)	Inhibition of Tyro3 (unknown origin)
50011752	1	ChEMBL_2028445 (CHEMBL4682603)	Inhibition of human DNMT3B expressed in Escherichia coli Rosetta-gamiTM 2(DE3) pLysS competent cells using biotinylated 6-FAM double strand DNA comprising unique CpG site [3H]-SAM incubated for 1 hrs by fluorescence based assay
50011755	1	ChEMBL_2028526 (CHEMBL4682684)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate incubated for 3 mins by microplate assay
50011756	1	ChEMBL_2028541 (CHEMBL4682699)	Inhibition of recombinant HIV1 protease measured assessed as hydrolysis of fluorogenic substrate by FRET assay
50011756	2	ChEMBL_2028543 (CHEMBL4682701)	Inhibition of HIV-1BH10 reverse transcriptase expressed in Escherichia coli assessed as polymerization by real time FRET assay
50011757	1	ChEMBL_2028546 (CHEMBL4682704)	Antagonist activity at PAC1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of PACAP-induced inhibition of CREB phosphorylation preincubated for 30 mins followed by PACAP stimulation and measured after 30 mins by Western blot analysis
50011758	1	ChEMBL_2028568 (CHEMBL4682726)	Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay
50011758	2	ChEMBL_2028569 (CHEMBL4682727)	Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay
50011758	3	ChEMBL_2028570 (CHEMBL4682728)	Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay
50011758	4	ChEMBL_2028571 (CHEMBL4682729)	Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assay
50011758	5	ChEMBL_2028572 (CHEMBL4682730)	Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay
50011758	6	ChEMBL_2028573 (CHEMBL4682731)	Displacement of [3H]PSB-603 from rat adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay
50011758	7	ChEMBL_2028574 (CHEMBL4682732)	Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay
50011758	8	ChEMBL_2028575 (CHEMBL4682733)	Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay
50011758	9	ChEMBL_2028580 (CHEMBL4682738)	Antagonist activity at rat A3AR expressed in CHO cells assessed as reduction in NECA-induced inhibition of forskolin-stimulated cAMP accumulation incubated for 2 hrs by fluorescence based assay
50011758	10	ChEMBL_2028581 (CHEMBL4682739)	Antagonist activity at rat A3AR expressed in CHO cells assessed as reduction in NECA-induced inhibition of forskolin-stimulated cAMP accumulation at 3 uM incubated for 2 hrs by fluorescence based assay
50011758	11	ChEMBL_2028582 (CHEMBL4682740)	Antagonist activity at rat A3AR expressed in CHO cells assessed as reduction in NECA-induced inhibition of forskolin-stimulated cAMP accumulation at 10 uM incubated for 2 hrs by fluorescence based assay
50011758	12	ChEMBL_2028583 (CHEMBL4682741)	Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis
50011758	13	ChEMBL_2028584 (CHEMBL4682742)	Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis
50011758	14	ChEMBL_2028585 (CHEMBL4682743)	Displacement of [3H]DPCPX from rat brain cortical membrane A1AR assessed as GTP shift
50011758	15	ChEMBL_2028586 (CHEMBL4682744)	Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay
50011758	16	ChEMBL_2028587 (CHEMBL4682745)	Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay
50011762	1	ChEMBL_2028620 (CHEMBL4682778)	Inhibition of PDIA3 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr and measured by insulin reduction assay
50011762	2	ChEMBL_2028621 (CHEMBL4682779)	Inhibition of PDIA4 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr and measured by insulin reduction assay
50011762	3	ChEMBL_2028622 (CHEMBL4682780)	Inhibition of TXNDC5 (unknown origin)
50011762	4	ChEMBL_2028623 (CHEMBL4682781)	Inhibition of PDIA6 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr and measured by insulin reduction assay
50011763	1	ChEMBL_2028791 (CHEMBL4682949)	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 45 mins by microplate reader assay
50011763	2	ChEMBL_2028792 (CHEMBL4682950)	Inhibition of recombinant human TDO assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 45 mins by microplate reader assay
50011764	1	ChEMBL_2028875 (CHEMBL4683033)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011764	2	ChEMBL_2028876 (CHEMBL4683034)	Inhibition of recombinant human HDAC2 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011764	3	ChEMBL_2028877 (CHEMBL4683035)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011764	4	ChEMBL_2028878 (CHEMBL4683036)	Inhibition of recombinant C-terminal FLAG-tagged full length human HDAC6 expressed in baculovirus infected Sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50011765	1	ChEMBL_2029053 (CHEMBL4683211)	Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-FRET assay
50011765	2	ChEMBL_2029058 (CHEMBL4683216)	Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and measured immediately by TR-FRET assay
50011765	3	ChEMBL_2029059 (CHEMBL4683217)	Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and measured after 20 mins by TR-FRET assay
50011765	4	ChEMBL_2029060 (CHEMBL4683218)	Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and measured after 40 mins by TR-FRET assay
50011765	5	ChEMBL_2029061 (CHEMBL4683219)	Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50011766	1	ChEMBL_2029082 (CHEMBL4683240)	Inhibition of recombinant human carbonic anhydrase 1 measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011766	2	ChEMBL_2029083 (CHEMBL4683241)	Inhibition of recombinant human carbonic anhydrase 2 measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011766	3	ChEMBL_2029084 (CHEMBL4683242)	Inhibition of recombinant human carbonic anhydrase 9 measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011766	4	ChEMBL_2029085 (CHEMBL4683243)	Inhibition of recombinant human carbonic anhydrase 12 measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011768	1	ChEMBL_2029136 (CHEMBL4683294)	Inhibition of Staphylococcus aures ParE using pBR322 DNA as substrate in presence of ATP
50011770	1	ChEMBL_2029197 (CHEMBL4683355)	Inhibition of Plasmodium falciparum FP-2
50011771	1	ChEMBL_2029207 (CHEMBL4683365)	Inhibition of human PI3Kalpha by ADP-Glo kinase assay
50011771	2	ChEMBL_2029208 (CHEMBL4683366)	Inhibition of human PI3Kbeta by ADP-Glo kinase assay
50011771	3	ChEMBL_2029209 (CHEMBL4683367)	Inhibition of human PI3Kdelta by ADP-Glo kinase assay
50011771	4	ChEMBL_2029210 (CHEMBL4683368)	Inhibition of human PI3Kgamma by ADP-Glo kinase assay
50011771	5	ChEMBL_2029211 (CHEMBL4683369)	Inhibition of human PIK3C2alpha by ADP-Glo kinase assay
50011771	6	ChEMBL_2029212 (CHEMBL4683370)	Inhibition of human PIK3C2beta by ADP-Glo kinase assay
50011771	7	ChEMBL_2029213 (CHEMBL4683371)	Inhibition of human VPS34 by ADP-Glo kinase assay
50011771	8	ChEMBL_2029214 (CHEMBL4683372)	Inhibition of human PI4K3alpha by ADP-Glo kinase assay
50011771	9	ChEMBL_2029215 (CHEMBL4683373)	Inhibition of human PI4K3beta by ADP-Glo kinase assay
50011772	1	ChEMBL_2029407 (CHEMBL4683565)	Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis
50011773	1	ChEMBL_2029448 (CHEMBL4683606)	Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr
50011773	2	ChEMBL_2029451 (CHEMBL4683609)	Agonist activity at CREB-LBD and Gal4-DBD fused recombinant human GPR119 expressed in HEK293 cells by firefly luciferase assay
50011773	3	ChEMBL_2029491 (CHEMBL4683649)	Inhibition of human ERG expressed in CHO cells by manual patch clamp assay
50011774	1	ChEMBL_2029525 (CHEMBL4683683)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate incubated for 45 mins by agarose gel electrophoresis method
50011775	1	ChEMBL_2029532 (CHEMBL4683690)	Mixed type inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D glucopyranoside as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50011775	2	ChEMBL_2029533 (CHEMBL4683691)	Non-competitive inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D glucopyranoside as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50011775	3	ChEMBL_2029535 (CHEMBL4683693)	Inhibition of alpha-glucosidase (unknown origin) using sucrose as substrate incubated for 30 mins
50011775	4	ChEMBL_2029541 (CHEMBL4683699)	Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method
50011775	5	ChEMBL_2029543 (CHEMBL4683701)	Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method
50011776	1	ChEMBL_2029602 (CHEMBL4683760)	Agonist activity at TRalpha (unknown origin) by Lanthascreen TR-FRET assay
50011776	2	ChEMBL_2029603 (CHEMBL4683761)	Agonist activity at TRbeta (unknown origin) by Lanthascreen TR-FRET assay
50011778	1	ChEMBL_2029679 (CHEMBL4683837)	Inhibition of human FAAH expressed in HEK293 cells using AMC arachidonyl amide as substrate pre-incubated for 50 mins followed by substrate addition and measured after 30 mins by fluorescence method
50011778	2	ChEMBL_2029680 (CHEMBL4683838)	Inhibition of FAAH in Sprague-Dawley rat brain homogenate using arachidonoyl-ethanolamide and anandamide [ethanolamine-1-3H] as substrate pre-incubated for 10 mins followed by substrate addition and measured after 30 mins by liquid scintillation counting method
50011778	3	ChEMBL_2029682 (CHEMBL4683840)	Inhibition of FAAH in OF1 albino mouse brain homogenate assessed as reduction in [3H]ethanolamine production using [3H]anandamide as substrate
50011778	4	ChEMBL_2029683 (CHEMBL4683841)	Inhibition of FAAH in rat brain homogenate using 2-arachidonoyl-[3H]-glycerol as substrate by scintillation counting method
50011778	5	ChEMBL_2029684 (CHEMBL4683842)	Inhibition of rat FAAH expressed in HEK293 cells using AEA as substrate by HPLC-MS/MS analysis
50011778	6	ChEMBL_2029685 (CHEMBL4683843)	Inhibition of rat FAAH using [3H]-AEA as substrate by liquid chromatography-mass spectrometry
50011778	7	ChEMBL_2029688 (CHEMBL4683846)	Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate incubated for 45 mins by reverse-phase HPLC-based fluorescence assay
50011778	8	ChEMBL_2029689 (CHEMBL4683847)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in CHO cells incubated for 90 mins by scintillation counting method
50011778	9	ChEMBL_2029690 (CHEMBL4683848)	Inhibition of FAAH (unknown origin)
50011778	10	ChEMBL_2029691 (CHEMBL4683849)	Inhibition of FAAH in rat brain homogenate using [3H]AEA as substrate
50011778	11	ChEMBL_2029692 (CHEMBL4683850)	Inhibition of FAAH in rat brain homogenate using [3H]AEA as substrate incubated for 10 mins by by liquid scintillation spectroscopy
50011778	12	ChEMBL_2029694 (CHEMBL4683852)	Inhibition of human FAAH
50011778	13	ChEMBL_2029695 (CHEMBL4683853)	Inhibition of human recombinant FAAH using (AMC) arachidonoyl amide as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence method
50011780	1	ChEMBL_2029699 (CHEMBL4683857)	Inhibition of recombinant human CYP1B1 expressed in baculovirus infected insect cells using 7-ethoxyresorufin as substrate preincubated for 5 mins followed by NADPH addition and measured after 15 mins by EROD assay
50011780	2	ChEMBL_2029700 (CHEMBL4683858)	Inhibition of recombinant human CYP1A2 expressed in baculovirus infected insect cells using 7-ethoxyresorufin as substrate preincubated for 5 mins followed by NADPH addition and measured after 35 mins by EROD assay
50011780	3	ChEMBL_2029705 (CHEMBL4683863)	Potentiation of amphotericin-induced cytotoxicity against human DU-145 cells over expressing CYP1B1 assessed as reversal of CYP1B1 mediated drug resistance at 5 uM after 48 hrs by MTT assay (Rvb = 43.25 +/- 1.7 nM)
50011780	4	ChEMBL_2029706 (CHEMBL4683864)	Potentiation of amphotericin-induced cytotoxicity against human DU-145 cells over expressing CYP1B1 assessed as reversal of CYP1B1 mediated drug resistance at 1 uM after 48 hrs by MTT assay (Rvb = 43.25 +/- 1.7 nM)
50011781	1	ChEMBL_2030244 (CHEMBL4684402)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 30 mins by LC-MS/MS analysis
50011781	2	ChEMBL_2030245 (CHEMBL4684403)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 30 mins by LC-MS/MS analysis
50011781	3	ChEMBL_2030246 (CHEMBL4684404)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 30 mins by LC-MS/MS analysis
50011781	4	ChEMBL_2030247 (CHEMBL4684405)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 30 mins by LC-MS/MS analysis
50011781	5	ChEMBL_2030248 (CHEMBL4684406)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 30 mins by LC-MS/MS analysis
50011781	6	ChEMBL_2030249 (CHEMBL4684407)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 30 mins by LC-MS/MS analysis
50011783	1	ChEMBL_2030251 (CHEMBL4684409)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50011783	2	ChEMBL_2030252 (CHEMBL4684410)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50011783	3	ChEMBL_2030253 (CHEMBL4684411)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50011783	4	ChEMBL_2030254 (CHEMBL4684412)	Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50011783	5	ChEMBL_2030259 (CHEMBL4684417)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate in presence of [gamma33P]ATP
50011783	6	ChEMBL_2030260 (CHEMBL4684418)	Inhibition of human full-length N-terminal GST/His6-tagged CDK9 (1 to 372 residues)/His6-tagged Cyclin-T1 (1 to 726 residues) expressed in sf9 cells using (YSPTSPS)2KK peptide as substrate in presence of [gamma33P]ATP
50011785	1	ChEMBL_2030335 (CHEMBL4684493)	Displacement of [3H]-SAM in recombinant human His-tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21-Gold (DE3) cells incubated for 120 mins by radioligand binding assay
50011785	2	ChEMBL_2030341 (CHEMBL4684499)	Inhibition of recombinant human N-terminal GST-tagged DOT1L (1 to 420 residues) expressed in Escherichia coli BL21 (DE3) using nucleosome as substrate incubated for 1 hr in presence of [3H]-SAM by liquid scintillation counting method
50011785	3	ChEMBL_2030342 (CHEMBL4684500)	Inhibition of recombinant human N-terminal GST-tagged DOT1L (1 to 420 residues) expressed in Escherichia coli BL21 (DE3) using histone as substrate incubated for 1 hr by MTase-glo based luminescence assay
50011785	4	ChEMBL_2030357 (CHEMBL4684515)	Inhibition of recombinant human DNMT1 using poly(dl-dC) as substrate by hotspot assay
50011785	5	ChEMBL_2030358 (CHEMBL4684516)	Inhibition of recombinant human EZH2 using core histone as substrate by hotspot assay
50011785	6	ChEMBL_2030359 (CHEMBL4684517)	Inhibition of recombinant human G9a using histone H3 (1 to 21) as substrate by hotspot assay
50011785	7	ChEMBL_2030360 (CHEMBL4684518)	Inhibition of recombinant human SET7/9 using core histone as substrate by hotspot assay
50011785	8	ChEMBL_2030361 (CHEMBL4684519)	Inhibition of recombinant human PRMT3 using histone H4 as substrate by hotspot assay
50011785	9	ChEMBL_2030362 (CHEMBL4684520)	Inhibition of recombinant human PRMT5 using histone H2A as substrate by hotspot assay
50011785	10	ChEMBL_2030363 (CHEMBL4684521)	Inhibition of recombinant human PRMT7 using GST-GAR as substrate by hotspot assay
50011785	11	ChEMBL_2030364 (CHEMBL4684522)	Inhibition of recombinant human PRMT8 using histone H4 as substrate by hotspot assay
50011786	1	ChEMBL_2030413 (CHEMBL4684571)	Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in N-formylkynurenine production incubated for 12 hrs by microplate reader analysis
50011786	2	ChEMBL_2030414 (CHEMBL4684572)	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 30 mins by microplate reader analysis
50011790	1	ChEMBL_2030435 (CHEMBL4684593)	Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in CHO cells incubated for 30 mins by liquid scintillation counting method
50011790	2	ChEMBL_2030436 (CHEMBL4684594)	Displacement of [3H]-DPDPE from rat delta opioid receptor expressed in CHO cells incubated for 30 mins by liquid scintillation counting method
50011790	3	ChEMBL_2030437 (CHEMBL4684595)	Displacement of [3H]-U69593 from human kappa opioid receptor expressed in CHO cells incubated for 30 mins by liquid scintillation counting method
50011790	4	ChEMBL_2030446 (CHEMBL4684604)	Agonist activity at rat mu opioid receptor expressed in CHO cells incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50011790	5	ChEMBL_2030447 (CHEMBL4684605)	Agonist activity at rat delta opioid receptor expressed in CHO cells incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50011790	6	ChEMBL_2030448 (CHEMBL4684606)	Agonist activity at human kappa opioid receptor expressed in CHO cells incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50011791	1	ChEMBL_2030456 (CHEMBL4684614)	Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to control
50011792	1	ChEMBL_2030484 (CHEMBL4684642)	Inhibition of human COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50011792	2	ChEMBL_2030485 (CHEMBL4684643)	Inhibition of human COX2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50011792	3	ChEMBL_2030487 (CHEMBL4684645)	Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins
50011792	4	ChEMBL_2030489 (CHEMBL4684647)	Inhibition of COX-1 (unknown origin)
50011792	5	ChEMBL_2030490 (CHEMBL4684648)	Inhibition of COX-2 (unknown origin)
50011792	6	ChEMBL_2030492 (CHEMBL4684650)	Inhibition of 5-LOX (unknown origin)
50011793	1	ChEMBL_2030543 (CHEMBL4684701)	Inhibition of HDAC1 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	2	ChEMBL_2030544 (CHEMBL4684702)	Inhibition of HDAC2 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	3	ChEMBL_2030545 (CHEMBL4684703)	Inhibition of HDAC3 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	4	ChEMBL_2030546 (CHEMBL4684704)	Inhibition of HDAC8 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	5	ChEMBL_2030547 (CHEMBL4684705)	Inhibition of HDAC6 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	6	ChEMBL_2030548 (CHEMBL4684706)	Inhibition of NFkappaB p65 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	7	ChEMBL_2030549 (CHEMBL4684707)	Inhibition of EGFR in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011793	8	ChEMBL_2030550 (CHEMBL4684708)	Inhibition of VEGFR2 in human RPMI-8226 cells incubated for 2 hrs by ELISA
50011796	1	ChEMBL_2030633 (CHEMBL4684791)	Inhibition of human recombinant HDAC1 preincubated for 10 mins followed by addition of substrate fluor De Lys SIRT1 deacetylase measured after 30 mins by fluorescent plate reader analysis
50011796	2	ChEMBL_2030634 (CHEMBL4684792)	Inhibition of human recombinant HDAC2 preincubated for 10 mins followed by addition of substrate fluor De Lys green measured after 30 mins by fluorescent plate reader analysis
50011796	3	ChEMBL_2030635 (CHEMBL4684793)	Inhibition of human recombinant HDAC3/NCOR1 complex preincubated for 10 mins followed by addition of substrate fluor De Lys SIRT1 deacetylase measured after 30 mins by fluorescent plate reader analysis
50011796	4	ChEMBL_2030636 (CHEMBL4684794)	Inhibition of human recombinant HDAC6 preincubated for 10 mins followed by addition of substrate fluor De Lys SIRT1 deacetylase measured after 30 mins by fluorescent plate reader analysis
50011796	5	ChEMBL_2030637 (CHEMBL4684795)	Inhibition of human recombinant HDAC8 preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescent plate reader analysis
50011796	6	ChEMBL_2030638 (CHEMBL4684796)	Inhibition of recombinant human full length CDK1/cyclin A2 expressed in Sf9 cells incubated for 10 mins by ADP-Glo reagent assay
50011796	7	ChEMBL_2030639 (CHEMBL4684797)	Inhibition of recombinant human full length CDK2/cyclin A2 incubated for 10 mins by ADP-Glo reagent assay
50011796	8	ChEMBL_2030640 (CHEMBL4684798)	Inhibition of recombinant human full length CDK4/cyclin D1 expressed in Sf9 cells incubated for 10 mins by ADP-Glo reagent assay
50011796	9	ChEMBL_2030641 (CHEMBL4684799)	Inhibition of recombinant human full length CDK6/cyclin D3 incubated for 10 mins by ADP-Glo reagent assay
50011796	10	ChEMBL_2030642 (CHEMBL4684800)	Inhibition of recombinant human full length CDK7/cyclin H1 expressed in Sf9 cells incubated for 10 mins by ADP-Glo reagent assay
50011798	1	ChEMBL_2030715 (CHEMBL4684873)	Displacement of biotinylated ephrin-A1-Fc from recombinant mouse c-terminal His6-tagged EphA2 Fc (Ala22 to Ala535 residues) preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	2	ChEMBL_2030716 (CHEMBL4684874)	Antagonist activity at EphA2-Fc in human PC3 cells assessed as reduction in ephrin-A1-Fc stimulated EphA2 phosphorylation preincubated for 20 mins followed by ephrin-A1 stimulation and measured after 20 mins by ELISA
50011798	3	ChEMBL_2030718 (CHEMBL4684876)	Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)
50011798	4	ChEMBL_2030719 (CHEMBL4684877)	Displacement of biotinylated ephrin-B1-Fc from mouse EphB3 Fc preincubated for 1 hr followed by ephrin-B1-FC addition and measured after 4 hrs by ELISA
50011798	5	ChEMBL_2030720 (CHEMBL4684878)	Displacement of biotinylated ephrin-A1-Fc from human EphA1 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	6	ChEMBL_2030721 (CHEMBL4684879)	Displacement of biotinylated ephrin-A1-Fc from mouse EphA3 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	7	ChEMBL_2030722 (CHEMBL4684880)	Displacement of biotinylated ephrin-A1-Fc from mouse EphA4 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	8	ChEMBL_2030723 (CHEMBL4684881)	Displacement of biotinylated ephrin-A1-Fc from rat EphA5 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	9	ChEMBL_2030724 (CHEMBL4684882)	Displacement of biotinylated ephrin-A1-Fc from mouse EphA6 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	10	ChEMBL_2030725 (CHEMBL4684883)	Displacement of biotinylated ephrin-A1-Fc from mouse EphA7 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	11	ChEMBL_2030726 (CHEMBL4684884)	Displacement of biotinylated ephrin-A1-Fc from mouse EphA8 Fc preincubated for 1 hr followed by ephrin-A1-FC addition and measured after 4 hrs by ELISA
50011798	12	ChEMBL_2030727 (CHEMBL4684885)	Displacement of biotinylated ephrin-B1-Fc from mouse EphB2 Fc preincubated for 1 hr followed by ephrin-B1-FC addition and measured after 4 hrs by ELISA
50011798	13	ChEMBL_2030728 (CHEMBL4684886)	Displacement of biotinylated ephrin-B1-Fc from rat EphB1 Fc preincubated for 1 hr followed by ephrin-B1-FC addition and measured after 4 hrs by ELISA
50011798	14	ChEMBL_2030729 (CHEMBL4684887)	Displacement of biotinylated ephrin-B1-Fc from mouse EphB4 Fc preincubated for 1 hr followed by ephrin-B1-FC addition and measured after 4 hrs by ELISA
50011798	15	ChEMBL_2030730 (CHEMBL4684888)	Displacement of biotinylated ephrin-B1-Fc from mouse EphB6 Fc preincubated for 1 hr followed by ephrin-B1-FC addition and measured after 4 hrs by ELISA
50011799	1	ChEMBL_2030737 (CHEMBL4684895)	Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cells incubated for 120 mins by radioligand binding assay
50011799	2	ChEMBL_2030738 (CHEMBL4684896)	Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cells incubated for 120 mins by radioligand binding assay
50011799	3	ChEMBL_2030739 (CHEMBL4684897)	Agonist activity at human MT1 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay
50011799	4	ChEMBL_2030741 (CHEMBL4684899)	Agonist activity at human MT2 expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding assay
50011800	1	ChEMBL_2030870 (CHEMBL4685028)	Inhibition of full length human Akt2 S474D mutant using GRPRTSSFAEGKK as substrate incubated for 40 mins by scintillation counting method
50011800	2	ChEMBL_2030871 (CHEMBL4685029)	Inhibition of full length human Akt3 S472D mutant using GRPRTSSFAEGKK as substrate incubated for 40 mins by scintillation counting method
50011801	1	ChEMBL_2030957 (CHEMBL4685115)	Inhibition of HSP90a (unknown origin)
50011801	2	ChEMBL_2030958 (CHEMBL4685116)	Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assay
50011801	3	ChEMBL_2030959 (CHEMBL4685117)	Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubated for 60 mins by fluorimetry analysis
50011801	4	ChEMBL_2030960 (CHEMBL4685118)	Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
50011801	5	ChEMBL_2030961 (CHEMBL4685119)	Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
50011801	6	ChEMBL_2030962 (CHEMBL4685120)	Inhibition of recombinant human HDAC8 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
50011802	1	ChEMBL_2031057 (CHEMBL4685215)	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillation counting method
50011802	2	ChEMBL_2031058 (CHEMBL4685216)	Binding affinity to Sigma 1 receptor (unknown origin)
50011802	3	ChEMBL_2031059 (CHEMBL4685217)	Binding affinity to Sigma 2 receptor (unknown origin)
50011802	4	ChEMBL_2031060 (CHEMBL4685218)	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 2 hrs by scintillation counting method
50011802	5	ChEMBL_2031061 (CHEMBL4685219)	Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by scintillation counting method
50011802	6	ChEMBL_2031062 (CHEMBL4685220)	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method
50011804	1	ChEMBL_2031067 (CHEMBL4685225)	Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 2 hrs by ADP-Glo luminescence assay
50011804	2	ChEMBL_2031069 (CHEMBL4685227)	Inhibition of human full-length recombinant N-terminal His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substrate measured after 2 hrs by ADP-Glo luminescence assay
50011804	3	ChEMBL_2031070 (CHEMBL4685228)	Inhibition of human full-length recombinant His-tagged PI3K p110beta/p85beta expressed in baculovirus expression system using PIP2 as substrate measured after 2 hrs by ADP-Glo luminescence assay
50011804	4	ChEMBL_2031071 (CHEMBL4685229)	Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 2 hrs by ADP-glo assay
50011807	1	ChEMBL_2031086 (CHEMBL4685244)	Inhibition of recombinant rat TrxR1 using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by colorimetry
50011808	1	ChEMBL_2031099 (CHEMBL4685257)	Inhibition of full length human PLK1 using casein as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric assay
50011808	2	ChEMBL_2031100 (CHEMBL4685258)	Inhibition of BRD4 (unknown origin) by alpha-screen assay
50011810	1	ChEMBL_2031140 (CHEMBL4685298)	Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes measured after 45 mins by scintillation counting method
50011810	2	ChEMBL_2031141 (CHEMBL4685299)	Displacement of [3H]Ile5'6-deltorphin II from DOR in Wistar rat brain membranes measured after 45 mins by scintillation counting method
50011810	3	ChEMBL_2031142 (CHEMBL4685300)	Displacement of [3H]HS665 from KOR in guinea pig brain membranes measured after 45 mins by scintillation counting method
50011812	1	ChEMBL_2031149 (CHEMBL4685307)	Inhibition of JAK3 in mouse T cells assessed as reduction in IL2-stimulated cell proliferation measured after 72 hrs by MTS assay
50011812	2	ChEMBL_2031150 (CHEMBL4685308)	Inhibition of JAK3 in mouse T cells assessed as reduction in anti-CD3/-CD28-stimulated cell proliferation measured after 72 hrs by MTS assay
50011812	3	ChEMBL_2031151 (CHEMBL4685309)	Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 residues) expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50011812	4	ChEMBL_2031152 (CHEMBL4685310)	Inhibition of recombinant human GST-tagged JAK2 cytoplasmic domain (809 to 1153+9 residues) expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50011812	5	ChEMBL_2031153 (CHEMBL4685311)	Inhibition of recombinant human GST-tagged JAK1 cytoplasmic domain (866 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50011812	6	ChEMBL_2031154 (CHEMBL4685312)	Inhibition of recombinant human N-terminal GST-tagged TYK2 cytoplasmic domain (833 to 1187 residues) expressed in baculovirus expression system using TK-substrate-biotin preincubated for 5 mins followed by substrate addition and measured after 30 mins by HTRF assay
50011812	7	ChEMBL_2031199 (CHEMBL4685357)	Inhibition of recombinant epitope tagged JAK3 (718 to 1124 residues) (unknown origin) using Chk2 as substrate by HTRF assay
50011812	8	ChEMBL_2031200 (CHEMBL4685358)	Inhibition of recombinant epitope tagged JAK2 (828 to 1132 residues) (unknown origin) using Chk2 as substrate by HTRF assay
50011812	9	ChEMBL_2031201 (CHEMBL4685359)	Inhibition of recombinant epitope tagged JAK1 (837 to 1142 residues) (unknown origin) using Chk2 as substrate by HTRF assay
50011812	10	ChEMBL_2031204 (CHEMBL4685362)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (811 to 1103 residues) expressed in Sf9 insect cells using Biotin-TYR2 (Biotin-(Ahx)-AEEEYFFLFA-amide) as substrate
50011812	11	ChEMBL_2031205 (CHEMBL4685363)	Inhibition of recombinant human C-terminal His6-tagged JAK2 (808 to end residues) expressed in baculovirus infected Sf21 insect cells using Biotin-TYR1 (Biotin-(Ahx)-GAEEEIYAAFFA-COOH as substrate
50011812	12	ChEMBL_2031206 (CHEMBL4685364)	Inhibition of recombinant human GST-tagged JAK1 catalytic domain (845 to 1142 residues) expressed in Sf9 insect cells using Biotin-TYR2 (Biotin-(Ahx)-AEEEYFFLFA-amide) as substrate
50011813	1	ChEMBL_2031224 (CHEMBL4685382)	Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assay
50011813	2	ChEMBL_2031226 (CHEMBL4685384)	Inhibition of ABCB1 in human KB-V1 cells using calcein-AM as substrate measured after 10 mins by fluorescence assay
50011813	3	ChEMBL_2031228 (CHEMBL4685386)	Inhibition of human ABCC1 transfected in MDCK2-MRP1 cells using calcein-AM as substrate measured after 1 hr by fluorescence assay
50011813	4	ChEMBL_2031231 (CHEMBL4685389)	Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by colorimetric assay
50011813	5	ChEMBL_2031233 (CHEMBL4685391)	Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by colorimetric assay
50011815	1	ChEMBL_2031242 (CHEMBL4685400)	Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting method
50011815	2	ChEMBL_2031243 (CHEMBL4685401)	Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting method
50011815	3	ChEMBL_2031244 (CHEMBL4685402)	Displacement of [3H]-LSD from recombinant human 5HT7 receptor expressed in CHOK1 cell membranes measured after 120 mins by microbeta counting method
50011815	4	ChEMBL_2031245 (CHEMBL4685403)	Displacement of [3H]-methylspiperone from recombinant human D2 receptor expressed in CHOK1 cell membranes measured after 60 mins by microbeta counting method
50011815	5	ChEMBL_2031247 (CHEMBL4685405)	Displacement of [3H]4-DAMP from human recombinant M3 receptor mins by scintillation counting analysis relative to control
50011815	6	ChEMBL_2031270 (CHEMBL4685428)	Inhibition of human ERG expressed in CHO cells with 0 mV holding potential by Ionworks electrophysiology assay
50011816	1	ChEMBL_2031271 (CHEMBL4685429)	Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably transfected in HEK-293T cells membrane incubated for 90 mins by scintillation counting method
50011816	2	ChEMBL_2031273 (CHEMBL4685431)	Agonist activity at human H3 receptor expressed in HEK293 cells preincubated for 30 mins followed by [35S]-GTPgammaS addition and measured after 30 mins by liquid scintillation counting method
50011816	3	ChEMBL_2031275 (CHEMBL4685433)	Agonist activity at human H3 receptor stably transfected in CHO-DUKX cells assessed as increase in cAMP accumulation by measuring reduction in forskolin level by HitHunter-cAMP assay
50011816	4	ChEMBL_2031278 (CHEMBL4685436)	Agonist activity at human H3 receptor expressed in CHO cells assessed as increase in cAMP accumulation by measuring reduction in forskolin level incubated for 4 hrs by CRE/MRE-luciferase reporter gene assay
50011817	1	ChEMBL_2031281 (CHEMBL4685439)	Agonist activity at recombinant human AC2 expressed in HEK293 cells assessed as increase in cAMP level measured after 30 mins by LANCE Ultra cAMP Detection kit method
50011818	1	ChEMBL_2031356 (CHEMBL4685514)	Inhibition of MET (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	2	ChEMBL_2031364 (CHEMBL4685522)	Inhibition of AXL (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	3	ChEMBL_2031365 (CHEMBL4685523)	Inhibition of FLT4 (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	4	ChEMBL_2031366 (CHEMBL4685524)	Inhibition of KDR (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	5	ChEMBL_2031367 (CHEMBL4685525)	Inhibition of MER (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	6	ChEMBL_2031368 (CHEMBL4685526)	Inhibition of TEK (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011818	7	ChEMBL_2031369 (CHEMBL4685527)	Inhibition of TYRO3 (unknown origin) using biotin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 to 60 mins by HTRF assay
50011819	1	ChEMBL_2031517 (CHEMBL4685675)	Displacement of fluormone-AL green from GST-tagged androgen receptor LBD (unknown origin) measured after 4 hrs by fluorescence polarization assay
50011819	2	ChEMBL_2031518 (CHEMBL4685676)	Antagonist activity at androgen receptor in human LNCaP cells transfected with ARR2 PB-eGFP assessed as inhibition of DHT-induced transcriptional activity measured after 3 days by fluorescence assay
50011819	3	ChEMBL_2031519 (CHEMBL4685677)	Inhibition of prostate specific antigen in human LNCaP cells
50011823	1	ChEMBL_2031578 (CHEMBL4685736)	Inhibition of GST-tagged BRD4-BD1 (49 to 170 residues) (unknown origin) using Histone H4 peptide as substrate incubated for 1.5 hrs by FRET assay
50011824	1	ChEMBL_2031601 (CHEMBL4685759)	Inhibition of EGFR (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 8 mins in presence of ATP by colorimetric analysis
50011825	1	ChEMBL_2031641 (CHEMBL4685799)	Inhibition of chymotrypsin-like activity of human 20S proteasome beta5 subunit using Suc-LLVY-Glo as substrate incubated for 2 hrs followed by substrate addition and measured for 10 mins by bioluminescent assay
50011825	2	ChEMBL_2031642 (CHEMBL4685800)	Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit using Suc-LLVY-aminoluciferin as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by bioluminescent assays
50011825	3	ChEMBL_2031643 (CHEMBL4685801)	Inhibition of caspase-like activity of human 20S proteasome beta 1 subunit using Z-nLPnLD-Glo as substrate incubated for 2 hrs followed by substrate addition and measured for 10 mins by bioluminescent assay
50011825	4	ChEMBL_2031644 (CHEMBL4685802)	Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit using Z-LRR-Glo as substrate incubated for 2 hrs followed by substrate addition and measured for 10 mins by bioluminescent assay
50011825	5	ChEMBL_2031650 (CHEMBL4685808)	Binding affinity to immobilized human 20S proteasome beta 5 subunit by SPR analysis
50011827	1	ChEMBL_2031685 (CHEMBL4685843)	Inhibition of class 1 HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	2	ChEMBL_2031686 (CHEMBL4685844)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC 2A substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	3	ChEMBL_2031687 (CHEMBL4685845)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus expression system using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	4	ChEMBL_2031688 (CHEMBL4685846)	Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using fluorogenic HDAC 2A substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	5	ChEMBL_2031689 (CHEMBL4685847)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC 2A substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	6	ChEMBL_2031690 (CHEMBL4685848)	Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	7	ChEMBL_2031691 (CHEMBL4685849)	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation after 24 hrs by thioflavin-T fluorescence method
50011827	8	ChEMBL_2031693 (CHEMBL4685851)	Inhibition of recombinant human C-terminal 6His-tagged AChE (Glu32 to Leu614 residues) expressed in CHO cells using acetylthiocholine iodide as substrate preincubated for 5 mins measured after 15 mins by DTNB reagent based assay
50011827	9	ChEMBL_2031694 (CHEMBL4685852)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	10	ChEMBL_2031695 (CHEMBL4685853)	Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using fluor de lys SIRT1 as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	11	ChEMBL_2031696 (CHEMBL4685854)	Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residus) expressed in baculovirus infected Sf9 insect cells using fluor de lys SIRT1 as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50011827	12	ChEMBL_2031697 (CHEMBL4685855)	Inhibition of Class 1 HDAC in human Neuro2a cells assessed as increase in acetylated Histone H3 level measured after 24 hrs by Western blot analysis
50011827	13	ChEMBL_2031698 (CHEMBL4685856)	Inhibition of HDAC6 in human Neuro2a cells assessed as increase in alpha-tubulin acetylation measured after 24 hrs by Western blot analysis
50011829	1	ChEMBL_2031707 (CHEMBL4685865)	Inhibition of recombinant human N-terminal FLAG-tagged KDM5B expressed in Sf9 insect cells using biotin-H3K4me as substrate by ALPHA
50011829	2	ChEMBL_2031724 (CHEMBL4685882)	Inhibition of KDM4A (unknown origin)
50011829	3	ChEMBL_2031725 (CHEMBL4685883)	Inhibition of KDM4C (unknown origin)
50011829	4	ChEMBL_2031726 (CHEMBL4685884)	Inhibition of KDM5A (unknown origin)
50011829	5	ChEMBL_2031727 (CHEMBL4685885)	Inhibition of KDM5C (unknown origin)
50011829	6	ChEMBL_2031728 (CHEMBL4685886)	Inhibition of KDM6B (unknown origin)
50011830	1	ChEMBL_2031757 (CHEMBL4685915)	Inhibition of FAM-Bid BH3 peptide binding to recombinant human BCL2 by fluorescence polarization assay
50011830	2	ChEMBL_2031758 (CHEMBL4685916)	Inhibition of FAM-Bid BH3 peptide binding to recombinant human BCL-XL by fluorescence polarization assay
50011830	3	ChEMBL_2031795 (CHEMBL4685953)	Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	4	ChEMBL_2031796 (CHEMBL4685954)	Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	5	ChEMBL_2031797 (CHEMBL4685955)	Inhibition of human N-terminal His-tagged SIRT2 (56 to 356 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	6	ChEMBL_2031798 (CHEMBL4685956)	Inhibition of human N-terminal His-tagged SIRT2 (56 to 356 residues) expressed in Escherichia coli using Ac-Ser-Ser-Ile-Lys(De)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	7	ChEMBL_2031799 (CHEMBL4685957)	Inhibition of human N-terminal His-tagged SIRT3 (122 to 391 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	8	ChEMBL_2031800 (CHEMBL4685958)	Inhibition of human N-terminal His-tagged SIRT3 (122 to 391 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	9	ChEMBL_2031801 (CHEMBL4685959)	Inhibition of human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	10	ChEMBL_2031802 (CHEMBL4685960)	Inhibition of human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	11	ChEMBL_2031803 (CHEMBL4685961)	Inhibition of FAM-Bid BH3 peptide binding to recombinant human MCL1 by fluorescence polarization assay
50011830	12	ChEMBL_2031804 (CHEMBL4685962)	Inhibition of human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli using Ac-His-Phe-Ser-Lys(Su)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins in presence of NAD+ by fluorescence assay
50011830	13	ChEMBL_2031806 (CHEMBL4685964)	Binding affinity to human N-terminal His-tagged SIRT5 (34 to 302 residues) expressed in Escherichia coli at 600 uM by isothermal titration calorimetry
50011833	1	ChEMBL_2031808 (CHEMBL4685966)	Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay
50011833	2	ChEMBL_2031809 (CHEMBL4685967)	Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay
50011833	3	ChEMBL_2031821 (CHEMBL4685979)	Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 hrs by dual luciferase reporter gene assay
50011833	4	ChEMBL_2031822 (CHEMBL4685980)	Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 hrs by dual luciferase reporter gene assay
50011834	1	ChEMBL_2031846 (CHEMBL4686004)	Antagonist activity at Androgen receptor (unknown origin) expressed in COS7 cells by dual luciferase reporter gene assay relative to control
50011835	1	ChEMBL_2031889 (CHEMBL4686047)	Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50011835	2	ChEMBL_2031890 (CHEMBL4686048)	Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay
50011835	3	ChEMBL_2031891 (CHEMBL4686049)	Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay
50011835	4	ChEMBL_2031892 (CHEMBL4686050)	Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC as substrate measured after 60 mins by fluorescence assay
50011836	1	ChEMBL_2031969 (CHEMBL4686127)	Inhibition of EGFR L858R/T790M (unknown origin) using Poly (Glu, Tyr) 4:1 as substrate measured after 1 hr by ELISA
50011836	2	ChEMBL_2031970 (CHEMBL4686128)	Inhibition of wild-type EGFR (unknown origin) using Poly (Glu, Tyr) 4:1 as substrate measured after 1 hr by ELISA
50011838	1	ChEMBL_2032020 (CHEMBL4686178)	Inhibition of EML4-ALK G1202R mutant fusion protein (unknown origin) expressed in HEK293T cells
50011841	1	ChEMBL_2032024 (CHEMBL4686182)	Inhibition of human COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate incubated for 10 mins by ELISA
50011841	2	ChEMBL_2032025 (CHEMBL4686183)	Inhibition of human COX2 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate incubated for 10 mins by ELISA
50011845	1	ChEMBL_2032061 (CHEMBL4686219)	Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting method
50011845	2	ChEMBL_2032062 (CHEMBL4686220)	Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50011845	3	ChEMBL_2032063 (CHEMBL4686221)	Agonist activity at human 5H1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50011845	4	ChEMBL_2032064 (CHEMBL4686222)	Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay
50011845	5	ChEMBL_2032081 (CHEMBL4686239)	Displacement of [3H]spiperone from recombinant human D2S receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting method
50011845	6	ChEMBL_2032082 (CHEMBL4686240)	Antagonist activity at D2 receptor (unknown origin)
50011845	7	ChEMBL_2032083 (CHEMBL4686241)	Antagonist activity at 5HT2A receptor (unknown origin)
50011845	8	ChEMBL_2032084 (CHEMBL4686242)	Displacement of [3H]5-HT from recombinant 5HT1A receptor (unknown origin) expressed in CHO cell membrane measured after 50 mins by microbeta scintillation counting method
50011845	9	ChEMBL_2032085 (CHEMBL4686243)	Agonist activity at recombinant 5HT1A receptor (unknown origin) expressed in CHO cell membrane assessed as [35S]GTPgammaS binding by liquid scintillation counting method
50011847	1	ChEMBL_2032150 (CHEMBL4686308)	Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50011847	2	ChEMBL_2032151 (CHEMBL4686309)	Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay
50011847	3	ChEMBL_2032152 (CHEMBL4686310)	Binding affinity to human partial length FLT3 ITD/F691L double mutant expressed in mammalian expression system by Kinomescan method
50011847	4	ChEMBL_2032157 (CHEMBL4686315)	Inhibition of human RET incubated for 30 mins by Kinobead based assay
50011847	5	ChEMBL_2032158 (CHEMBL4686316)	Inhibition of human FLT3 incubated for 30 mins by Kinobead based assay
50011847	6	ChEMBL_2032159 (CHEMBL4686317)	Inhibition of human MAP4K4 incubated for 30 mins by Kinobead based assay
50011847	7	ChEMBL_2032160 (CHEMBL4686318)	Inhibition of human ZAK incubated for 30 mins by Kinobead based assay
50011847	8	ChEMBL_2032161 (CHEMBL4686319)	Inhibition of human DDR2 incubated for 30 mins by Kinobead based assay
50011847	9	ChEMBL_2032162 (CHEMBL4686320)	Inhibition of human CDK16 incubated for 30 mins by Kinobead based assay
50011847	10	ChEMBL_2032163 (CHEMBL4686321)	Inhibition of human NTRK1 incubated for 30 mins by Kinobead based assay
50011847	11	ChEMBL_2032164 (CHEMBL4686322)	Inhibition of human EPHA7 incubated for 30 mins by Kinobead based assay
50011848	1	ChEMBL_2032223 (CHEMBL4686381)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as substrate measured after 30 mins by HTRF assay
50011848	2	ChEMBL_2032231 (CHEMBL4686389)	Inhibition of c-Kit (unknown origin)
50011848	3	ChEMBL_2032232 (CHEMBL4686390)	Inhibition of FLT3 (unknown origin)
50011848	4	ChEMBL_2032233 (CHEMBL4686391)	Inhibition of Ron (unknown origin)
50011848	5	ChEMBL_2032234 (CHEMBL4686392)	Inhibition of VEGFR2 (unknown origin)
50011848	6	ChEMBL_2032235 (CHEMBL4686393)	Inhibition of Flt4 (unknown origin)
50011848	7	ChEMBL_2032236 (CHEMBL4686394)	Inhibition of EGFR (unknown origin)
50011850	1	ChEMBL_2032280 (CHEMBL4686438)	Inhibition of Escherichia coli DNA gyrase using relaxed DNA as substrate incubated for 15 mins by ethidium bromide-based agarose gel electrophoresis
50011851	1	ChEMBL_2032349 (CHEMBL4686507)	Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins by fluorescence assay
50011851	2	ChEMBL_2032352 (CHEMBL4686510)	Inhibition of tissue extract derived mEH (unknown origin) using [3H]trans-stilbene oxide as substrate by liquid scintillation counting method
50011852	1	ChEMBL_2032353 (CHEMBL4686511)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50011852	2	ChEMBL_2032354 (CHEMBL4686512)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50011852	3	ChEMBL_2032355 (CHEMBL4686513)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50011852	4	ChEMBL_2032356 (CHEMBL4686514)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydration assay
50011853	1	ChEMBL_2032362 (CHEMBL4686520)	Inhibition of human cathepsin X expressed in Pichia pastoris assessed as residual activity using Abz-FEK(Dnp)-OH as substrate incubated for 30 to 45 mins by fluorescence assay
50011853	2	ChEMBL_2032366 (CHEMBL4686524)	Inhibition of human cathepsin S expressed in Pichia pastoris using Z-VVR-AMC as substrate by fluorescence assay
50011855	1	ChEMBL_2032374 (CHEMBL4686532)	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced channel activation
50011856	1	ChEMBL_2032416 (CHEMBL4686574)	Inhibition of Influenza A virus (A/PR 8/34 (H1N1)) hemagglutinin transfected in human HeLa cells assessed as reduction in low pH-indued polykaryon formation preincubated for 15 mins followed by pH 5.2 buffer addition and measured after 5 mins by giemsa staining based microscopic analysis
50011857	1	ChEMBL_2032432 (CHEMBL4686590)	Inhibition of c-MET (unknown origin)
50011857	2	ChEMBL_2032433 (CHEMBL4686591)	Inhibition of Axl (unknown origin)
50011857	3	ChEMBL_2032434 (CHEMBL4686592)	Inhibition of Tyro3 (unknown origin)
50011857	4	ChEMBL_2032435 (CHEMBL4686593)	Inhibition of c-MET (unknown origin) using peptide as substrate incubated for 1 hr by mobility shift assay
50011857	5	ChEMBL_2032464 (CHEMBL4686622)	Inhibition of Ron (unknown origin)
50011858	1	ChEMBL_2032465 (CHEMBL4686623)	Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by horseradish peroxidase coupled fluorescence assay
50011858	2	ChEMBL_2032475 (CHEMBL4686633)	Inhibition of recombinant N-terminal FLAG-tagged human MAOA expressed in baculovirus infected Sf9 insect cells using luminogenic MAO substrate measured after 1 hr by MAO-glo assay
50011858	3	ChEMBL_2032476 (CHEMBL4686634)	Inhibition of recombinant N-terminal FLAG-tagged human MAOB expressed in baculovirus infected Sf9 insect cells using luminogenic MAO substrate measured after 1 hr by MAO-glo assay
50011858	4	ChEMBL_2032496 (CHEMBL4686654)	Inhibition of LSD1 (unknown origin) by TR-FRET assay
50011859	1	ChEMBL_2032512 (CHEMBL4686670)	Inhibition of recombinant human MAO-A
50011859	2	ChEMBL_2032514 (CHEMBL4686672)	Inhibition of recombinant human MAO-B
50011859	3	ChEMBL_2032522 (CHEMBL4686680)	Inhibition of human serum BuChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method
50011859	4	ChEMBL_2032523 (CHEMBL4686681)	Inhibition of human erythrocytes AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method
50011859	5	ChEMBL_2032524 (CHEMBL4686682)	Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's method
50011859	6	ChEMBL_2032526 (CHEMBL4686684)	Inhibition of Electrophorus electricus AChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's method
50011861	1	ChEMBL_2032691 (CHEMBL4686849)	Positive allosteric modulation of GABAA alpha1beta3gamma2L in HEK cell plasma membrane assessed as increase in [3H]muscimol binding measured after 10 mins by liquid scintillation counting method
50011861	2	ChEMBL_2032692 (CHEMBL4686850)	Positive allosteric modulation of GABAA alpha1beta3 in HEK cell plasma membrane assessed as increase in [3H]muscimol binding measured after 10 mins by liquid scintillation counting method
50011861	3	ChEMBL_2032695 (CHEMBL4686853)	Positive allosteric modulation of GABAA alpha1beta3gamma2L in HEK cell plasma membrane assessed as increase in [3H]flunitrazepam binding measured after 10 mins by liquid scintillation counting method
50011861	4	ChEMBL_2032699 (CHEMBL4686857)	Positive allosteric modulation of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current by two microelectrode voltage-clamp electrophysiology
50011861	5	ChEMBL_2032713 (CHEMBL4686871)	Inhibition of [3H]azietomidate labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction in photoincorporation at M236 residues of alpha1 subunit measured after 30 mins in presence of GABA by liquid scintillation counting method
50011861	6	ChEMBL_2032716 (CHEMBL4686874)	Inhibition of [3H]R-mTFD-MPAB labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction in photoincorporation at M227 residues of beta3 subunit measured after 30 mins in presence of GABA by liquid scintillation counting method
50011861	7	ChEMBL_2032717 (CHEMBL4686875)	Inhibition of [3H]pTFD-di-iPr-BnOH labelling of GABAA alpha1beta3gamma2L (unknown origin) expressed in Xenopus laevis oocytes assessed as reduction in photoincorporation at beta subunit measured after 30 mins in presence of GABA by liquid scintillation counting method
50011862	1	ChEMBL_2032721 (CHEMBL4686879)	Agonist activity at human RXRalpha/LXRalpha expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay
50011862	2	ChEMBL_2032722 (CHEMBL4686880)	Agonist activity at human RXRalpha/LXRbeta expressed in HEK293 cells measured after 20 hrs by dual luciferase reporter gene assay
50011862	3	ChEMBL_2032726 (CHEMBL4686884)	Displacement of hyodeoxycholicacid-based fluorescent tracer from recombinant human LXRbeta LBD (215 to 461 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins under shaking condition and measured after 30 mins by fluorescence polarization assay
50011863	1	ChEMBL_2032756 (CHEMBL4686914)	Inhibition of ASK1 (unknown origin)
50011863	2	ChEMBL_2032757 (CHEMBL4686915)	Inhibition of ASK2 (unknown origin)
50011863	3	ChEMBL_2032759 (CHEMBL4686917)	Inhibition of TAK1 (unknown origin)
50011863	4	ChEMBL_2032765 (CHEMBL4686923)	Inhibition of full length human recombinant CDK3/Cyclin E using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50011863	5	ChEMBL_2032781 (CHEMBL4686939)	Inhibition of full length human recombinant CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50011863	6	ChEMBL_2032783 (CHEMBL4686941)	Inhibition of human recombinant GSK3 beta H350L mutant using YRRAAVPPSPSLSR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50011863	7	ChEMBL_2032784 (CHEMBL4686942)	Inhibition of human recombinant TYK2 (875 to end residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50011863	8	ChEMBL_2032805 (CHEMBL4686963)	Inhibition of ASK1 (unknown origin) by competitive TR-FRET assay
50011866	1	ChEMBL_2032946 (CHEMBL4687104)	Inhibition of human erythrocyte CA1 using 4-nitrophenyl acetate as substrate by spectrophotometry
50011866	2	ChEMBL_2032947 (CHEMBL4687105)	Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by spectrophotometry
50011866	3	ChEMBL_2032948 (CHEMBL4687106)	Inhibition of human erythrocyte CA1 b using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50011866	4	ChEMBL_2032949 (CHEMBL4687107)	Inhibition of human erythrocyte CA2 using 4-nitrophenyl acetate as substrate by Lineweaver-Burk plot analysis
50011867	1	ChEMBL_2032951 (CHEMBL4687109)	Binding affinity to ERalpha (unknown origin) by SPR assay
50011867	2	ChEMBL_2032954 (CHEMBL4687112)	Binding affinity to immobilized GP130 (unknown origin) by SPR analysis
50011868	1	ChEMBL_2033055 (CHEMBL4687213)	Inhibition of human DDX3X using dsRNA as substrate measured every 30 sec for 40 mins by FRET assay
50011871	1	ChEMBL_2033096 (CHEMBL4687254)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011871	2	ChEMBL_2033097 (CHEMBL4687255)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011871	3	ChEMBL_2033098 (CHEMBL4687256)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011871	4	ChEMBL_2033099 (CHEMBL4687257)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 6 hrs prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011872	1	ChEMBL_2033120 (CHEMBL4687278)	Binding affinity to human platelet lysate GP6 at 10 uM by surface plasmon resonance analysis
50011872	2	ChEMBL_2033121 (CHEMBL4687279)	Binding affinity to human platelet lysate GP6 at 100 uM by surface plasmon resonance analysis
50011872	3	ChEMBL_2033122 (CHEMBL4687280)	Binding affinity to human platelet lysate GP6 at 0.1 uM by surface plasmon resonance analysis
50011872	4	ChEMBL_2033126 (CHEMBL4687284)	Antagonist activity at GP6 in human platelet assessed as reduction in collagen-induced platelet-aggregation preincubated for 10 mins followed by collagen stimulation by aggregometry
50011872	5	ChEMBL_2033127 (CHEMBL4687285)	Antagonist activity at GP6 in human platelet assessed as reduction in CRP-induced platelet-aggregation preincubated for 10 mins followed by collagen stimulation by aggregometry
50011872	6	ChEMBL_2033129 (CHEMBL4687287)	Antagonist activity at GP6 in human platelet assessed as reduction in collagen-induced platelet-aggregation preincubated for 60 secs followed by collagen stimulation by light transmission aggregometry
50011872	7	ChEMBL_2033130 (CHEMBL4687288)	Antagonist activity at GP6 in human platelet assessed as reduction in CRP-induced platelet-aggregation preincubated for 60 secs followed by collagen stimulation by light transmission aggregometry
50011872	8	ChEMBL_2033131 (CHEMBL4687289)	Binding affinity to recombinant GP6 (unknown origin) at protein to compound ratio of 1 : 1 to 1 : 10 by 2D 15N-1H TROSY-HSQC NMR spectroscopy
50011872	9	ChEMBL_2033133 (CHEMBL4687291)	Modulation of GP6 in human platelets assessed as reduction in convulxin-induced P-selectin expression preincubated for 20 mins followed by convulxin stimulation and measured after 1 min by Western blot analysis
50011872	10	ChEMBL_2033134 (CHEMBL4687292)	Modulation of GP6 in human platelets reduction in collagen-induced platelet aggregation preincubated for 20 mins followed by collagen stimulation
50011872	11	ChEMBL_2033135 (CHEMBL4687293)	Modulation of GP6 in human platelets assessed as reduction in convulxin-induced platelet aggregation
50011872	12	ChEMBL_2033137 (CHEMBL4687295)	Inhibition of mouse BTK expressed in baculovirus infected Sf21 cells incubated for 1 hr by Western blot analysis
50011872	13	ChEMBL_2033139 (CHEMBL4687297)	Inhibition of GP6 in human whole blood assessed as protein-mediated platelet aggregation preincubated for 15 mins followed by collagen stimulation and measured for 10 mins by multiple electrode aggregometry
50011872	14	ChEMBL_2033144 (CHEMBL4687302)	Modulation of TxA2 receptor in human platelets assessed as reduction in U46619-induced platelet aggregation preincubated for 5 min followed by U46619 stimulation
50011873	1	ChEMBL_2033223 (CHEMBL4687381)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011873	2	ChEMBL_2033224 (CHEMBL4687382)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011873	3	ChEMBL_2033225 (CHEMBL4687383)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011873	4	ChEMBL_2033226 (CHEMBL4687384)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50011876	1	ChEMBL_2033275 (CHEMBL4687433)	Inhibition of recombinant human N-terminal His6-tagged full length USP7 expressed in baculovirus infected Sf21 cells using monoubiquitinated ubiquitin-rhodamine as substrate incubated for 30 mins followed by Ub-Rho addition and measured after 2 hrs by spectrophotometry
50011876	2	ChEMBL_2033284 (CHEMBL4687442)	Binding affinity to USP7 (208 to 560 residues) (unknown origin) assessed as dissociation constant by biolayer interferometry
50011878	1	ChEMBL_2033426 (CHEMBL4687584)	Enhancement of His6-tagged TRBP (unknown origin) expressed in Escherichia coli BL21(DE3) binding to 32P-labeled Let7 precursor RNA assessed as TRBP Kd at 30 uM incubated for 60 mins by liquid scintillation counting method (Rvb = 221 nM)
50011880	1	ChEMBL_2033441 (CHEMBL4687599)	Inhibition of recombinant human CD73 using AMP as substrate incubated for 90 mins by malachite green colorimetric assay
50011880	2	ChEMBL_2033442 (CHEMBL4687600)	Inhibition of recombinant human CD73 using AMP as substrate incubated for 120 mins by CellTiter-Glo assay
50011880	3	ChEMBL_2033444 (CHEMBL4687602)	Inhibition of human C-terminal His6-tagged CD73 expressed in HEK293F cells using [15N]5-AMP as substrate preincubated for 1 hr followed by substrate addition and measured after 8 mins by MS/MS assay
50011880	4	ChEMBL_2033445 (CHEMBL4687603)	Inhibition of human CD73 expressed in CHO cells using AMP as substrate preincubated for 10 mins followed by substrate addition and measured every minute for 10 to 20 mins by PNP coupled enzyme assay
50011880	5	ChEMBL_2033446 (CHEMBL4687604)	Inhibition of rat CD73 expressed in baculovirus infected insect cells using AMP substrate by capillary electrophoresis assay
50011880	6	ChEMBL_2033447 (CHEMBL4687605)	Inhibition of CD73 in human melanoma 1539 cells using AMP substrate by capillary electrophoresis assay
50011880	7	ChEMBL_2033448 (CHEMBL4687606)	Inhibition of human C-terminal 6His-tagged CD73 ( Trp27 to Lys547 residues) expressed in CHO cells using AMP as substrate incubated for 30 mins by malachite Green assay
50011880	8	ChEMBL_2033449 (CHEMBL4687607)	Inhibition of human C-terminal 6His-tagged CD73 ( Trp27 to Lys547 residues) expressed in CHO cells using CMP as substrate incubated for 20 mins by malachite Green assay
50011880	9	ChEMBL_2033451 (CHEMBL4687609)	Inhibition of CD73 in human serum using 13C5-15N5-AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 15 mins by LC/MS based assay
50011880	10	ChEMBL_2033452 (CHEMBL4687610)	Inhibition of CD73 in human Calu-6 cells using AMP as substrate incubated for 60 mins by RF-MS/MS
50011880	11	ChEMBL_2033453 (CHEMBL4687611)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 2 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	12	ChEMBL_2033454 (CHEMBL4687612)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 50 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	13	ChEMBL_2033455 (CHEMBL4687613)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 16.7 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	14	ChEMBL_2033456 (CHEMBL4687614)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 5.6 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	15	ChEMBL_2033457 (CHEMBL4687615)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 1.9 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	16	ChEMBL_2033458 (CHEMBL4687616)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 0.61 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	17	ChEMBL_2033459 (CHEMBL4687617)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 0.21 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	18	ChEMBL_2033460 (CHEMBL4687618)	Inhibition of human C-terminal 6His-tagged CD73 (1 to 547 residues) expressed in HEK293F cells using 0.069 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	19	ChEMBL_2033461 (CHEMBL4687619)	Inhibition of human CD73 (1 to 547 residues) expressed in HEK293F cells using 0.023 uM AMP as substrate by rapidfire mass spectrometry assay
50011880	20	ChEMBL_2033462 (CHEMBL4687620)	Competitive inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixon and Cornish-Bowden plot analysis
50011880	21	ChEMBL_2033463 (CHEMBL4687621)	Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Dixon and Cornish-Bowden plot analysis
50011880	22	ChEMBL_2033464 (CHEMBL4687622)	Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Cheng-Prusoff analysis
50011880	23	ChEMBL_2033465 (CHEMBL4687623)	Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Malachite green reagent based assay
50011880	24	ChEMBL_2033466 (CHEMBL4687624)	Competitive inhibition of human NTPDase3 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixon and Cornish-Bowden plot analysis
50011880	25	ChEMBL_2033467 (CHEMBL4687625)	Competitive inhibition of human NPP1 using pnp-TMP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixon and Cornish-Bowden plot analysis
50011880	26	ChEMBL_2033470 (CHEMBL4687628)	Inhibition of human CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay
50011880	27	ChEMBL_2033471 (CHEMBL4687629)	Inhibition of human NTPDase2 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay
50011880	28	ChEMBL_2033472 (CHEMBL4687630)	Inhibition of human NTPDase3 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay
50011880	29	ChEMBL_2033473 (CHEMBL4687631)	Inhibition of human NTPDase8 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay
50011880	30	ChEMBL_2033474 (CHEMBL4687632)	Inhibition of mouse CD39 expressed in green monkey Cos-7 cells using ATP as substrate preincubated for 3 mins followed by substrate addition by malachite green reagent based assay
50011880	31	ChEMBL_2033475 (CHEMBL4687633)	Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method
50011880	32	ChEMBL_2033476 (CHEMBL4687634)	Inhibition of rat NTPDase2 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method
50011882	1	ChEMBL_2033481 (CHEMBL4687639)	Activation of recombinant human GPR55 expressed in HEK293 cells assessed as increase in [35S]-GTPgammaS stimulation incubated for 60 min by scintillation counting method
50011882	2	ChEMBL_2033482 (CHEMBL4687640)	Displacement of [3H]-HU-243 from CB2 receptor (unknown origin) expressed in African green monkey Cos7 cell membranes incubated for 90 mins by radioligand binding assay
50011882	3	ChEMBL_2033483 (CHEMBL4687641)	Displacement of [3H]-HU-243 from CB1 receptor in Sabra rat brain synaptosomes incubated for 90 mins by radioligand binding assay
50011882	4	ChEMBL_2033486 (CHEMBL4687644)	Displacement of [3H]8-OH-DPAT from human 5-HT1a receptor expressed in CHO cells incubated for 30 mins by liquid scintillation counting method
50011882	5	ChEMBL_2033487 (CHEMBL4687645)	Displacement of [3H] ketanserin from rat 5-HT2aR expressed in mouse NIH/3T3 cells incubated for 30 mins by liquid scintillation counting method
50011882	6	ChEMBL_2033488 (CHEMBL4687646)	Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry
50011882	7	ChEMBL_2033489 (CHEMBL4687647)	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cells incubated for 1 hr by liquid scintillation spectrometry
50011882	8	ChEMBL_2033533 (CHEMBL4687691)	Inhibition of 5-HT2C (unknown origin)
50011882	9	ChEMBL_2033534 (CHEMBL4687692)	Inhibition of mu-type opioid receptor (unknown origin)
50011882	10	ChEMBL_2033535 (CHEMBL4687693)	Inhibition of kappa-type opioid receptor (unknown origin)
50011882	11	ChEMBL_2033536 (CHEMBL4687694)	Inhibition of D1 dopamine receptor (unknown origin)
50011882	12	ChEMBL_2033537 (CHEMBL4687695)	Inhibition of histamine H3 receptor (unknown origin)
50011882	13	ChEMBL_2033538 (CHEMBL4687696)	Inhibition of alpha2B receptor (unknown origin)
50011882	14	ChEMBL_2033539 (CHEMBL4687697)	Inhibition of sigma2 receptor (unknown origin)
50011882	15	ChEMBL_2033540 (CHEMBL4687698)	Inhibition of alpha2C receptor (unknown origin)
50011882	16	ChEMBL_2033541 (CHEMBL4687699)	Inhibition of delta-type opioid receptor receptor (unknown origin)
50011882	17	ChEMBL_2033559 (CHEMBL4687717)	Competitive inhibition of human recombinant CYP1A1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysis
50011882	18	ChEMBL_2033560 (CHEMBL4687718)	Competitive inhibition of human recombinant CYP1A2 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysis
50011882	19	ChEMBL_2033561 (CHEMBL4687719)	Competitive inhibition of human recombinant CYP1B1 using 7-Ethoxyresorufin as substrate by Lineweaver-Burk plot analysis
50011882	20	ChEMBL_2033570 (CHEMBL4687728)	Non-competitive inhibition of human recombinant CYP2A6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 mins followed by NADPH-generating system addition by Lineweaver-Burk plot analysis
50011882	21	ChEMBL_2033571 (CHEMBL4687729)	Mixed type inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 mins followed by NADPH-generating system addition by Lineweaver-Burk plot analysis
50011882	22	ChEMBL_2033572 (CHEMBL4687730)	Competitive inhibition of CYP2C9 in pooled human liver microsomes using S-warfarin as substrate preincubated for 5 mins followed by NADPH-generating system addition and measured after 20 mins by Lineweaver-Burk plot analysis
50011882	23	ChEMBL_2033573 (CHEMBL4687731)	Competitive inhibition of CYP2C11 in rat liver microsomes
50011882	24	ChEMBL_2033574 (CHEMBL4687732)	Mixed type inhibition of human recombinant CYP2C19 using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH-generating system addition measured after 40 mins by Lineweaver-Burk plot analysis
50011882	25	ChEMBL_2033575 (CHEMBL4687733)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 10 mins in presence of NADPH generating by Lineweaver-Burk plot analysis
50011882	26	ChEMBL_2033576 (CHEMBL4687734)	Competitive inhibition of human recombinant CYP3A4 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 15 mins followed by NADPH-generating system addition by Michaelis-Menten plot analysis
50011882	27	ChEMBL_2033577 (CHEMBL4687735)	Competitive inhibition of human recombinant CYP3A5 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 15 mins followed by NADPH-generating system addition by Michaelis-Menten plot analysis
50011882	28	ChEMBL_2033578 (CHEMBL4687736)	Mixed type inhibition of human recombinant CYP3A7 expressed in baculovirus-infected insect cells using diltiazem as substrate incubated for 30 mins followed by NADPH-generating system addition by Michaelis-Menten plot analysis
50011882	29	ChEMBL_2033579 (CHEMBL4687737)	Mixed type inhibition of CYP17 in Sprague-Dawley rat testis microsomes assessed as reduction in 17alpha-Hydroxylase activity in presence of NADPH-generating system incubated for 2 mins by Lineweaver-Burk plot analysis
50011883	1	ChEMBL_2033587 (CHEMBL4687745)	Displacement of N6-[3H]cyclohexyladenosine from adenosine receptor A1 in guinea pig forebrain membranes by liquid scintillation counting method
50011883	2	ChEMBL_2033591 (CHEMBL4687749)	Displacement of [125I]Bolton-Hunter CCK8 from human Cholecystokinin A receptor expressed in CHO-K1 cells by competitive radioligand binding assay
50011883	3	ChEMBL_2033592 (CHEMBL4687750)	Displacement of [125I]Bolton-Hunter CCK8 from human Cholecystokinin B receptor expressed in CHO-K1 cells by competitive radioligand binding assay
50011883	4	ChEMBL_2033594 (CHEMBL4687752)	Agonist activity at GHSR in Wistar rat pituitary gland cells assessed as induction of GH release by RIA
50011883	5	ChEMBL_2033595 (CHEMBL4687753)	Inhibition of FAM tagged p53-based peptide binding to recombinant human His-tagged MDM2 protein (residues 1 to 118 residues) incubated for 15 mins by fluorescence-polarization-based binding assay
50011884	1	ChEMBL_2033597 (CHEMBL4687755)	Agonist activity at TLR2 in HEK-Blue hTLR2 cells assessed as NF-kappaB activation preincubated for 24 hrs followed by replacement of medium containing compound and measured after 0.5 to 1 hrs by Quanti-blue SEAP assay
50011884	2	ChEMBL_2033598 (CHEMBL4687756)	Inhibition of Rho-Pam3 binding to TLR1 (unknown origin)/human TLR2 expressed in HEK293 cells incubated for 30 mins by fluorescence polarization assay
50011884	3	ChEMBL_2033599 (CHEMBL4687757)	Inhibition of Flagellin-BS binding to human TLR5 expressed in HEK293 cells harboring SEAP reporter gene preincubated for 24 hrs followed by compound wash out and subsequent Flagellin-BS addition along with compound and measured after 0.5 hrs by QUANTI-Blue assay
50011884	4	ChEMBL_2033600 (CHEMBL4687758)	Modulation of TLR4 in human THP1 cells assessed as reduction in LPS-induced TLR4 expression pretreated for 2 hrs followed by LPS challenge and measured after 18 hrs by flow cytometry
50011884	5	ChEMBL_2033602 (CHEMBL4687760)	Inhibition of Pam3CSK4-induced TLR1/TLR2 activation in mouse RAW 264.7 cells assessed as reduction in NO production incubated for 24 hrs by 2,3-diaminonaphthalene reagent based assay
50011884	6	ChEMBL_2033603 (CHEMBL4687761)	Inhibition of rhodamine-labeled Pam3CSK4 binding to TLR1 (unknown origin)/TLR2 (unknown origin) expressed in baculovirus infected sf9 cells incubated for 30 mins by fluorescence polarization assay
50011884	7	ChEMBL_2033604 (CHEMBL4687762)	Inhibition of TLR8 in HEK-Blue hTLR8 assessed as reduction in SEAP production incubated for 20 to 24 hrs by Quanti-Blue assay
50011884	8	ChEMBL_2033605 (CHEMBL4687763)	Agonist activity at TLR2 (unknown origin)
50011888	1	ChEMBL_2033648 (CHEMBL4687806)	Displacement of [3H]-MK801 from rat brain GluN1/GluN2A expressed in HEK293 cells
50011888	2	ChEMBL_2033649 (CHEMBL4687807)	Displacement of [3H]-MK801 from rat brain GluN1/GluN2B expressed in HEK293 cells
50011888	3	ChEMBL_2033653 (CHEMBL4687811)	Displacement of [3H]-MK801 from human forebrain GluN1/GluN2B expressed in HEK293 cells by at -70 mV holding potential by patch-clamp assay
50011889	1	ChEMBL_2033679 (CHEMBL4687837)	Inhibition of PIM1 (unknown origin) by coupled kinetic assay
50011889	2	ChEMBL_2033688 (CHEMBL4687846)	Inhibition of human ERG
50011889	3	ChEMBL_2033714 (CHEMBL4687872)	Inhibition of human DAPK1
50011889	4	ChEMBL_2033715 (CHEMBL4687873)	Inhibition of human PIM2
50011889	5	ChEMBL_2033716 (CHEMBL4687874)	Inhibition of human PIM3
50011889	6	ChEMBL_2033717 (CHEMBL4687875)	Inhibition of human TrkA
50011889	7	ChEMBL_2033735 (CHEMBL4687893)	Inhibition of recombinant human full length N-terminal GST-tagged PIM1 expressed in Escherichia coli using KKRNRTLTV as substrate incubated for 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50011889	8	ChEMBL_2033738 (CHEMBL4687896)	Inhibition of human PIM1 using full length BAD peptide substrate in presence of ATP at Km concentration
50011889	9	ChEMBL_2033739 (CHEMBL4687897)	Inhibition of human PIM2 using full length BAD peptide substrate in presence of ATP at Km concentration
50011889	10	ChEMBL_2033740 (CHEMBL4687898)	Inhibition of human PIM3 using full length BAD peptide substrate in presence of ATP at Km concentration
50011889	11	ChEMBL_2033741 (CHEMBL4687899)	Inhibition of PIM1 (unknown origin)
50011889	12	ChEMBL_2033742 (CHEMBL4687900)	Inhibition of PIM2 (unknown origin)
50011889	13	ChEMBL_2033743 (CHEMBL4687901)	Inhibition of PIM3 (unknown origin)
50011889	14	ChEMBL_2033746 (CHEMBL4687904)	Inhibition of human PIM1
50011894	1	ChEMBL_2033826 (CHEMBL4687984)	Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between exogenous LDL and HDL in 2% human serum
50011894	2	ChEMBL_2033827 (CHEMBL4687985)	Inhibition of CETP in 95% human serum assessed as inhibition of transfer of [3H] cholesteryl oleate or [3H] triolein between LDL and HDL
50011895	1	ChEMBL_2033898 (CHEMBL4688056)	Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plate micro plate reader
50011895	2	ChEMBL_2033900 (CHEMBL4688058)	Mixed type inhibition of porcine pancreatic lipase using 4MUO as substrate by Lineweaver-Burk plot analysis
50011896	1	ChEMBL_2033905 (CHEMBL4688063)	Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate incubated for 1 hr by fluorogenic assay
50011898	1	ChEMBL_2034041 (CHEMBL4688199)	Inhibition of Plasmodium falciparum FLN
50011901	1	ChEMBL_2034043 (CHEMBL4688201)	Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincubated with enzyme for 10 mins followed by substrate addition by UV-Vis spectrophotometer analysis
50011901	2	ChEMBL_2034044 (CHEMBL4688202)	Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA as substrate preincubated with enzyme for 12 hrs followed by substrate addition by chymotrypsin coupled assay
50011901	3	ChEMBL_2034045 (CHEMBL4688203)	Inhibition of human recombinant Pin1 using Suc-AEPF-NH-Np as substrate by alpha-chymotrypsin based assay
50011901	4	ChEMBL_2034046 (CHEMBL4688204)	Inhibition of human recombinant PIN1 assessed as inhibition of MCA release using Suc-AEPF-MCA peptide as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured after 180 mins by fluorescence based analysis
50011901	5	ChEMBL_2034047 (CHEMBL4688205)	Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA, Suc-Ala-Glu-Pro-Phe-pNA or Suc-Ala-Ala-Pro-Phe-pNA as substrate preincubated with enzyme for 0.5 to 2 hrs followed by substrate addition by chymotrypsin coupled assay
50011901	6	ChEMBL_2034048 (CHEMBL4688206)	Inhibition of Pin1 (unknown origin)
50011903	1	ChEMBL_2034073 (CHEMBL4688231)	Positive allosteric modulation of mGluR5 (unknown origin) by calcium mobilization assay
50011903	2	ChEMBL_2034074 (CHEMBL4688232)	Positive allosteric modulation of human mGluR1 in presence of EC20 concentration of glutamate by calcium mobilization assay
50011903	3	ChEMBL_2034076 (CHEMBL4688234)	Positive allosteric modulation of human mGluR4 by calcium mobilization assay
50011903	4	ChEMBL_2034078 (CHEMBL4688236)	Positive allosteric modulation of human mGluR7 in presence of EC20 concentration of L-AP4 by calcium mobilization assay
50011903	5	ChEMBL_2034080 (CHEMBL4688238)	Negative allosteric modulation of human mGluR1 by calcium mobilization assay
50011903	6	ChEMBL_2034082 (CHEMBL4688240)	Positive allosteric modulation of mGluR8 (unknown origin) by calcium mobilization assay
50011903	7	ChEMBL_2034084 (CHEMBL4688242)	Positive allosteric modulation of mGluR2 (unknown origin) by calcium mobilization assay
50011903	8	ChEMBL_2034085 (CHEMBL4688243)	Positive allosteric modulation of mGluR3 (unknown origin) by calcium mobilization assay
50011903	9	ChEMBL_2034086 (CHEMBL4688244)	Positive allosteric modulation of mGluR6 (unknown origin) by calcium mobilization assay
50011904	1	ChEMBL_2034104 (CHEMBL4688262)	Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated for 1 hr followed by fluorogenic probe addition and measured after 3 hrs by HTRF assay
50011904	2	ChEMBL_2034105 (CHEMBL4688263)	Inhibition of exogenous human TNFalpha in HEK-Blue-CD40L cells assessed as reduction in TNF-alpha-induced NFkappaB activation incubated for 18 hrs by quanti-blue based SEAP assay
50011904	3	ChEMBL_2034108 (CHEMBL4688266)	Inhibition of recombinant CYP2C9 (unknown origin)
50011904	4	ChEMBL_2034109 (CHEMBL4688267)	Inhibition of recombinant CYP2C19 (unknown origin)
50011904	5	ChEMBL_2034110 (CHEMBL4688268)	Inhibition of human recombinant His-tagged TNF-alpha-mediated E-selectin expression in HUVEC cells preincubated for 30 mins in presence of TNFalpha and measured after 3 hrs by flow cytometry analysis
50011904	6	ChEMBL_2034116 (CHEMBL4688274)	Inhibition of recombinant CYP1A2 (unknown origin)
50011904	7	ChEMBL_2034117 (CHEMBL4688275)	Inhibition of recombinant CYP2C8 (unknown origin)
50011904	8	ChEMBL_2034118 (CHEMBL4688276)	Inhibition of recombinant CYP2D6 (unknown origin)
50011904	9	ChEMBL_2034119 (CHEMBL4688277)	Inhibition of recombinant CYP3A4 (unknown origin) in presence of BFC as substrate
50011904	10	ChEMBL_2034159 (CHEMBL4688317)	Inhibition of human ERG by patch clamp assay
50011904	11	ChEMBL_2034160 (CHEMBL4688318)	Inhibition of CD40L (unknown origin)
50011904	12	ChEMBL_2034161 (CHEMBL4688319)	Inhibition of FasL (unknown origin)
50011904	13	ChEMBL_2034162 (CHEMBL4688320)	Inhibition of LTbeta (unknown origin)
50011909	1	ChEMBL_2034202 (CHEMBL4688360)	Binding affinity to wild-type human STING-CTD (139-379) expressed in Escherichia coli BL21(D Escherichia ) cells by isothermal titration calorimetry
50011912	1	ChEMBL_2034212 (CHEMBL4688370)	Inhibition of beta3 Tubulin (unknown origin) expressed in human HeLa cell line assessed as inhibition of cell proliferation measured after 48 hrs by SRB method
50011913	1	ChEMBL_2034320 (CHEMBL4688478)	Antagonist activity at human TRPM8 transfected in HEK293T cells assessed as reduction in menthol-induced calcium influx measured after 60 mins by Fluo-4 AM dye based fluorescence analysis
50011913	2	ChEMBL_2034322 (CHEMBL4688480)	Activation of human PXR ligand binding domain incubated for 1 hr by TR-FRET assay
50011913	3	ChEMBL_2034325 (CHEMBL4688483)	Antagonist activity at rat TRPM8 transfected in HEK293T cells assessed as reduction in menthol-induced calcium influx measured after 60 mins by Fluo-4 AM dye based fluorescence analysis
50011913	4	ChEMBL_2034346 (CHEMBL4688504)	Inhibition of human TRPA1 transfected in HEK293T cells assessed as reduction in AITC-induced calcium influx measured after 60 mins by Fluo-4 AM dye based fluorescence analysis
50011913	5	ChEMBL_2034348 (CHEMBL4688506)	Inhibition of human TRPV1 transfected in HEK293T cells assessed as reduction in capsaicin-induced calcium influx measured after 60 mins by Fluo-4 AM dye based fluorescence analysis
50011913	6	ChEMBL_2034349 (CHEMBL4688507)	Inhibition of human TRPV4 transfected in HEK293T cells assessed as reduction in RN1747-induced calcium influx measured after 60 mins by Fura-2 AM dye based fluorescence analysis
50011914	1	ChEMBL_2034380 (CHEMBL4688538)	Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter analysis
50011914	2	ChEMBL_2034381 (CHEMBL4688539)	Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter analysis
50011915	1	ChEMBL_2034386 (CHEMBL4688544)	Displacement of [3H]-methylspiperone from dopamine D2 receptor (unknown origin) expressed in HEK293T cells measured after 15 mins by GloSensor cAMP assay
50011915	2	ChEMBL_2034387 (CHEMBL4688545)	Displacement of [3H]-methylspiperone from dopamine D3 receptor (unknown origin)
50011915	3	ChEMBL_2034388 (CHEMBL4688546)	Displacement of [3H]-methylspiperone from dopamine D4 receptor (unknown origin)
50011915	4	ChEMBL_2034389 (CHEMBL4688547)	Displacement of [3H]-WAY100635 from 5HT1A receptor (unknown origin)
50011915	5	ChEMBL_2034391 (CHEMBL4688549)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting
50011915	6	ChEMBL_2034392 (CHEMBL4688550)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting
50011915	7	ChEMBL_2034393 (CHEMBL4688551)	Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor by liquid scintillation counting
50011915	8	ChEMBL_2034394 (CHEMBL4688552)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting
50011915	9	ChEMBL_2034395 (CHEMBL4688553)	Displacement of [3H]-ketanserin from human 5HT2A receptor by liquid scintillation counting
50011915	10	ChEMBL_2034396 (CHEMBL4688554)	Displacement of [3H]-mesulergine from human 5HT2C receptor by liquid scintillation counting
50011915	11	ChEMBL_2034397 (CHEMBL4688555)	Displacement of [3H]-LSD from human 5HT7 receptor by liquid scintillation counting
50011915	12	ChEMBL_2034398 (CHEMBL4688556)	Displacement of [3H]-citalopram from human SERT by liquid scintillation counting
50011915	13	ChEMBL_2034399 (CHEMBL4688557)	Displacement of [3H]-ketanserin from 5HT2A receptor (unknown origin)
50011915	14	ChEMBL_2034400 (CHEMBL4688558)	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin)
50011917	1	ChEMBL_2034409 (CHEMBL4688567)	Inhibition of recombinant human N-terminal His6-tagged GSK3beta H350L mutant expressed in baculovirus infected Sf21 cells using prephosphorylated polypeptide as substrate incubated for 1 min followed by substrate addition and measured after 30 mins by Kinase-Glo luminescence assay
50011917	2	ChEMBL_2034410 (CHEMBL4688568)	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's method
50011917	3	ChEMBL_2034411 (CHEMBL4688569)	Inhibition of human BChE using butyrylthiocholineiodide as substrate incubated for 10 mins by Ellman's method
50011917	4	ChEMBL_2034414 (CHEMBL4688572)	Inhibition of ERK1 (unknown origin) by ATP competitive based analysis
50011917	5	ChEMBL_2034415 (CHEMBL4688573)	Inhibition of ERK2 (unknown origin) by ATP competitive based analysis
50011917	6	ChEMBL_2034416 (CHEMBL4688574)	Inhibition of p38MAPK gamma (unknown origin) by ATP competitive based analysis
50011917	7	ChEMBL_2034417 (CHEMBL4688575)	Inhibition of p38MAPK delta (unknown origin) by ATP competitive based analysis
50011917	8	ChEMBL_2034418 (CHEMBL4688576)	Inhibition of GSK3alpha (unknown origin) by ATP competitive based analysis
50011917	9	ChEMBL_2034419 (CHEMBL4688577)	Inhibition of GSK3beta (unknown origin) by ATP competitive based analysis
50011917	10	ChEMBL_2034420 (CHEMBL4688578)	Inhibition of p38MAPK alpha (unknown origin) by ATP competitive based analysis
50011917	11	ChEMBL_2034421 (CHEMBL4688579)	Inhibition of p38MAPK beta (unknown origin) by ATP competitive based analysis
50011917	12	ChEMBL_2034422 (CHEMBL4688580)	Inhibition of DYRK1A (unknown origin) by ATP competitive based analysis
50011917	13	ChEMBL_2034423 (CHEMBL4688581)	Inhibition of DYRK1B (unknown origin) by ATP competitive based analysis
50011917	14	ChEMBL_2034424 (CHEMBL4688582)	Inhibition of JNK2 (unknown origin) by ATP competitive based analysis
50011917	15	ChEMBL_2034425 (CHEMBL4688583)	Inhibition of JNK3 (unknown origin) by ATP competitive based analysis
50011917	16	ChEMBL_2034426 (CHEMBL4688584)	Inhibition of CDK2 (unknown origin) by ATP competitive based analysis
50011917	17	ChEMBL_2034427 (CHEMBL4688585)	Inhibition of CDK1 (unknown origin) by ATP competitive based analysis
50011917	18	ChEMBL_2034428 (CHEMBL4688586)	Inhibition of CDK6 (unknown origin) by ATP competitive based analysis
50011917	19	ChEMBL_2034429 (CHEMBL4688587)	Inhibition of CDK4 (unknown origin) by ATP competitive based analysis
50011917	20	ChEMBL_2034430 (CHEMBL4688588)	Inhibition of CDK9 (unknown origin) by ATP competitive based analysis
50011917	21	ChEMBL_2034431 (CHEMBL4688589)	Inhibition of CDK7 (unknown origin) by ATP competitive based analysis
50011918	1	ChEMBL_2034543 (CHEMBL4688701)	Inhibition of rabbit skeletal muscle myosin-2 ATPase incubated for 20 mins followed by ATP addition and measured after 20 mins
50011920	1	ChEMBL_2034625 (CHEMBL4688783)	Inhibition of N-terminal His6-tagged recombinant human UCHL5 expressed in Escherichia coli BL21 (DE3) codon cells assessed as reduction in cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ub-Rho 110 as substrate incubated for 30 mins by fluorescence based assay
50011920	2	ChEMBL_2034630 (CHEMBL4688788)	Inhibition of recombinant human N-terminal MET and His6-tagged UCHL1 (Gln2 to Ala223 residues) expressed in Escherichia coli assessed as reduction in cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ub-Rho 110 as substrate incubated for 30 mins by fluorescence based assay
50011920	3	ChEMBL_2034631 (CHEMBL4688789)	Inhibition of recombinant human UCHL3 assessed as reduction in cleavage of Ubiquitin-Rhodamine110-glycine to Ubiquitin and Rhodamine110-glycine using Ub-Rho 110 as substrate incubated for 30 mins by fluorescence based assay
50011921	1	ChEMBL_2034655 (CHEMBL4688813)	Inhibition of recombinant HIV-1 BH10 reverse transcriptase using D38/[32P]25PGA as template-primer incubated for 5 mins in presence of DTT followed by dTTP addition and measured after 15 to 30 sec by nucleotide incorporation assay
50011923	1	ChEMBL_2034689 (CHEMBL4688847)	Inhibition of human CD73
50011923	2	ChEMBL_2034690 (CHEMBL4688848)	Inhibition of mouse CD73
50011923	3	ChEMBL_2034691 (CHEMBL4688849)	Inhibition of mouse CD39
50011927	1	ChEMBL_2034715 (CHEMBL4688873)	Antagonist activity at human PDL1 assessed as inhibition of human PD1 interaction with human PDL1 by ELISA
50011928	1	ChEMBL_2034858 (CHEMBL4689016)	Inhibition of human ERG expressed in CHO cells by whole cell Q-patch clamp assay
50011929	1	ChEMBL_2034874 (CHEMBL4689032)	Inhibition of human SphK1 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth at 30 degreeC measured after 24 to 48 hrs
50011929	2	ChEMBL_2034875 (CHEMBL4689033)	Inhibition of human SphK2 expressed in Saccharomyces cerevisiae KYA1 assessed as yeast growth at 30 degreeC measured after 24 to 48 hrs
50011929	3	ChEMBL_2034878 (CHEMBL4689036)	Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingosine as substrate in presence of [gamma33P]-ATP by scintillation counting method
50011929	4	ChEMBL_2034879 (CHEMBL4689037)	Inhibition of recombinant human SphK2 assessed as decrease in [33P]SIP production using sphingosine as substrate in presence of [gamma33P]-ATP by scintillation counting method
50011932	1	ChEMBL_2034894 (CHEMBL4689052)	Inhibition of human PI3Kalpha by ELISA
50011936	1	ChEMBL_2034916 (CHEMBL4689074)	Antagonist activity at androgen receptor (unknown origin) expressed in HEK293 cells using DHT as substrate preincubated for 30 mins followed by substrate addition measured after 24 hrs by Steady-Glo luciferase assay
50011937	1	ChEMBL_2035015 (CHEMBL4689173)	Agonist activity at Gal4-fused RORgammat (unknown origin) expressed in Jurkat cells by reporter assay
50011937	2	ChEMBL_2035016 (CHEMBL4689174)	Agonist activity at human TRbeta1 CHO-K1 cells by reporter assay
50011937	3	ChEMBL_2035017 (CHEMBL4689175)	Agonist activity at RORgammat in human Whole blood assessed as increase in IL17 expression after 48 hrs by AlphaLISA
50011937	4	ChEMBL_2035018 (CHEMBL4689176)	Agonist activity at RORgammat in C57/B6 mouse Th17 cells assessed as increase in IL17A expression after 96 hrs by AlphaLISA
50011939	1	ChEMBL_2035041 (CHEMBL4689199)	Inhibition of recombinant human CLK1 (130 to end residues) using ERMRPRKRQGSVRRRV as substrate incubated for 40 mins in presence of [gamma33P-ATP] by scintillation counting analysis
50011939	2	ChEMBL_2035042 (CHEMBL4689200)	Inhibition of recombinant human CLK2 (138 to end residues) using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate incubated for 40 mins in presence of [gamma33P-ATP] by scintillation counting analysis
50011939	3	ChEMBL_2035043 (CHEMBL4689201)	Inhibition of recombinant human full length CLK3 using ERMRPRKRQGSVRRRV as substrate incubated for 40 mins in presence of [gamma33P-ATP] by scintillation counting analysis
50011939	4	ChEMBL_2035044 (CHEMBL4689202)	Inhibition of recombinant human CLK4 (128 to end residues) using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate incubated for 40 mins in presence of [gamma33P-ATP] by scintillation counting analysis
50011939	5	ChEMBL_2035056 (CHEMBL4689214)	Inhibition of rat DYRK1A (1 to 499 residues) assessed as residual activity by ADP-Glo assay
50011941	1	ChEMBL_2035062 (CHEMBL4689220)	Inhibition of recombinant human GST-tagged full length p38a expressed in Escherichia coli expression system using Ser/Thr 04 as substrate incubated for 1 hr in presence of ATP by Z'LYTE assay
50011944	1	ChEMBL_2035081 (CHEMBL4689239)	Non-Competitive inhibition of equine serum BuChE using varying concentrations of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis
50011944	2	ChEMBL_2035082 (CHEMBL4689240)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured after 4 mins by Ellman's method
50011944	3	ChEMBL_2035085 (CHEMBL4689243)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 4 mins by Ellman's method
50011945	1	ChEMBL_2035088 (CHEMBL4689246)	Inhibition of PI3Kalpha (unknown origin) measured after 1 hr by ADP-glo plus luminescence assay
50011945	2	ChEMBL_2035089 (CHEMBL4689247)	Inhibition of mTOR (unknown origin) measured after 45 mins by LANCE Ultra assay
50011945	3	ChEMBL_2035090 (CHEMBL4689248)	Inhibition of PI3Kbeta (unknown origin) measured after 1 hr by ADP-glo plus luminescence assay
50011945	4	ChEMBL_2035091 (CHEMBL4689249)	Inhibition of PI3Kgamma (unknown origin) measured after 1 hr by ADP-glo plus luminescence assay
50011945	5	ChEMBL_2035092 (CHEMBL4689250)	Inhibition of PI3Kdelta (unknown origin) measured after 1 hr by ADP-glo plus luminescence assay
50011947	1	ChEMBL_2035140 (CHEMBL4689298)	Inhibition of recombinant human Cathepsin K expressed in Pichia pastoris X-33 using Z-Gly-Pro-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence based microplate reader assay
50011947	2	ChEMBL_2035141 (CHEMBL4689299)	Inhibition of human recombinant GSK3beta using GSK3 peptide as substrate preincubated for 15 mins followed by ATP addition and measured after 90 mins by ADP-Glo kinase assay
50011948	1	ChEMBL_2035144 (CHEMBL4689302)	Agonist activity at human TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assay
50011948	2	ChEMBL_2035145 (CHEMBL4689303)	Agonist activity at mouse TGR5 transfected in HEK293T cells assessed intracellular cAMP level by HTRF assay
50011957	1	ChEMBL_2035271 (CHEMBL4689429)	Inhibition of Ovine COX-1 by chemiluminescent enzyme method
50011957	2	ChEMBL_2035272 (CHEMBL4689430)	Inhibition of Ovine COX-2 by chemiluminescent enzyme method
50011960	1	ChEMBL_2035310 (CHEMBL4689468)	Inhibition of recombinant human N-terminal His6-tagged 53BP1 TTD (1484 to1603 residues) expressed in Escherichia coli BL21 (DE3) cells using Biotin-H4K2Ome2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by AlphaScreen assay
50011960	2	ChEMBL_2035311 (CHEMBL4689469)	Binding affinity to recombinant human N-terminal His6-tagged lysine dye- labeled 53BP1 TTD (1484 to1603 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 10 mins by MST assay
50011960	3	ChEMBL_2035312 (CHEMBL4689470)	Binding affinity to recombinant human N-terminal His6-tagged 53BP1 TTD (1484 to1603 residues) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis
50011961	1	ChEMBL_2035313 (CHEMBL4689471)	Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC fluorogenic substrate
50011961	2	ChEMBL_2035326 (CHEMBL4689484)	Inhibition of bovine thrombin using Tos-Gly-Pro-Arg-AMC as substrate by fluorescence assay
50011961	3	ChEMBL_2035327 (CHEMBL4689485)	Inhibition of human factor Xa using Mes-Darg-Pro-Arg-AMC as flurogenic substrate by fluorescence assay
50011961	4	ChEMBL_2035328 (CHEMBL4689486)	Inhibition pf human plasmin using Mes-Darg-Phe-Arg-AMC as substrate by fluorescence assay
50011964	1	ChEMBL_2035332 (CHEMBL4689490)	Inhibition of recombinant human N-terminal GST-tagged HPK1 (1 to 346 residues) expressed in baculovirus infected Sf9 cells using NH2-fluorescein-RFARKGSLRQKNV-COOH as substrate incubated for 3 hrs in presence of ATP by by capillary electrophoresis method
50011964	2	ChEMBL_2035333 (CHEMBL4689491)	Inhibition of IRAK4 (unknown origin)
50011964	3	ChEMBL_2035334 (CHEMBL4689492)	Inhibition of GLK (unknown origin)
50011964	4	ChEMBL_2035337 (CHEMBL4689495)	Inhibition of HPK1 in anti-CD3/anti-CD28-stimulated human T-cells assessed as inhibition of SLP76 phosphorylation preincubated for 1 hr followed by anti-CD3/CD28 stimulation for 30 mins by AlphaLISA assay
50011964	5	ChEMBL_2035346 (CHEMBL4689504)	Inhibition of human ERG
50011966	1	ChEMBL_2035355 (CHEMBL4689513)	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant using fluorescein labeled LRRKtide peptide as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins in presence of ATP at Km concentration by TR-FRET Lanthascreen assay
50011967	1	ChEMBL_2035356 (CHEMBL4689514)	Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 mins followed by substrate addition and measured after 30 mins by mass spectrophotometry
50011968	1	ChEMBL_2035365 (CHEMBL4689523)	Inhibition of recombinant human N-terminal His6-tagged FGFR3 (447 to 761 residues) expressed in Sf21 cells using biotinylated EQEDEPEGDYFEWLE peptide as substrate preincubated for 4 hrs followed by substrate addition and measured after 1 hr in presence of ATP by FRET assay
50011969	1	ChEMBL_2035369 (CHEMBL4689527)	Binding affinity to recombinant human BRD4 BD1 and BD2 expressed in Escherichia coli BL21 incubated for 2 hrs under shaking condition by HTRF assay
50011971	1	ChEMBL_2035372 (CHEMBL4689530)	Agonist activity at full length human STING expressed in HEK293T cotransfected with pISRE-luc and cGAS incubated for 24 hrs by steady-glo luciferase reporter gene assay
50011972	1	ChEMBL_2035373 (CHEMBL4689531)	Inhibition of Terbium-labeled BIM BH3 peptide binding to MCL1 (unknown origin) incubated for 60 mins by HTRF assay
50011973	1	ChEMBL_2035375 (CHEMBL4689533)	Inhibition of HDAC1 (unknown origin) using compound purified by traditional preparative HPLC work-flow
50011973	2	ChEMBL_2035376 (CHEMBL4689534)	Inhibition of HDAC2 (unknown origin) using compound purified by traditional preparative HPLC work-flow
50011973	3	ChEMBL_2035377 (CHEMBL4689535)	Inhibition of HDAC3 (unknown origin) using compound purified by traditional preparative HPLC work-flow
50011973	4	ChEMBL_2035378 (CHEMBL4689536)	Inhibition of HDAC1 (unknown origin) using compound purified by microgram-scale HPLC work-flow
50011973	5	ChEMBL_2035379 (CHEMBL4689537)	Inhibition of HDAC2 (unknown origin) using compound purified by microgram-scale HPLC work-flow
50011973	6	ChEMBL_2035380 (CHEMBL4689538)	Inhibition of HDAC3 (unknown origin) using compound purified by microgram-scale HPLC work-flow
50011974	1	ChEMBL_2035390 (CHEMBL4689548)	Inhibition of recombinant human furin expressed in Sf9 cells using Pyr-RTKR-AMC as substrate
50011974	2	ChEMBL_2035391 (CHEMBL4689549)	Inhibition of recombinant soluble human furin using Phac-Arg-Val-Arg-Arg-AMC as substrate
50011974	3	ChEMBL_2035392 (CHEMBL4689550)	Inhibition of recombinant soluble human furin using pyroGlu-Arg-Thr-Lys-Arg-methyl-coumaryl-7-amide as substrate measured after 1 hr
50011976	1	ChEMBL_2035398 (CHEMBL4689556)	Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assay
50011976	2	ChEMBL_2035399 (CHEMBL4689557)	Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay
50011976	3	ChEMBL_2035421 (CHEMBL4689579)	Displacement of [3H]R-PIA from recombinant human A1AR measured after 60 mins by liquid scintillation counting method
50011976	4	ChEMBL_2035422 (CHEMBL4689580)	Displacement of [3H]CGS21680 from recombinant human A2AR measured after 60 mins by liquid scintillation counting method
50011976	5	ChEMBL_2035424 (CHEMBL4689582)	Agonist activity at recombinant human A2BAR expressed in CHO cells assessed as stimulation of cAMP formation preincubated for 30 mins in presence of rolipram and adenosine deaminase followed by compound addition and measured after 20 mins by alphascreen cAMP assay
50011977	1	ChEMBL_2035429 (CHEMBL4689587)	Inhibition of HDAC4 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assay
50011977	2	ChEMBL_2035430 (CHEMBL4689588)	Inhibition of HDAC5 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assay
50011977	3	ChEMBL_2035431 (CHEMBL4689589)	Inhibition of HDAC7 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assay
50011977	4	ChEMBL_2035432 (CHEMBL4689590)	Inhibition of HDAC9 (unknown origin) using Boc Lys(TFA) as substrate by fluorogenic assay
50011977	5	ChEMBL_2035433 (CHEMBL4689591)	Inhibition of HDAC1 (unknown origin) using Ac-Arg-Gly-Lys(Ac) as substrate by fluorogenic assay
50011977	6	ChEMBL_2035434 (CHEMBL4689592)	Inhibition of HDAC2 (unknown origin) using Ac-Arg-Gly-Lys(Ac) as substrate by fluorogenic assay
50011977	7	ChEMBL_2035435 (CHEMBL4689593)	Inhibition of HDAC3/NCOR2 (unknown origin) using Boc-Lys(Ac) as substrate by fluorogenic assay
50011977	8	ChEMBL_2035436 (CHEMBL4689594)	Inhibition of HDAC8 (unknown origin) using Boc-Lys(TFA) as substrate by fluorogenic assay
50011977	9	ChEMBL_2035437 (CHEMBL4689595)	Inhibition of HDAC6 (unknown origin) expressed in human HEK-Freestyle cells using Boc-Lys(Ac) as substrate by fluorogenic assay
50011977	10	ChEMBL_2035439 (CHEMBL4689597)	Inhibition of Class 2A HDAC4 in human Jurkat E6.1 cells using Boc-Lys-(TFA)-AMC as substrate by fluorogenic assay
50011977	11	ChEMBL_2035444 (CHEMBL4689602)	Binding affinity to immobilized HDAC4 catalytic domain (unknown origin) by surface plasmon resonance assay
50011977	12	ChEMBL_2035450 (CHEMBL4689608)	Inhibition of Class 1 HDAC in human HEK293 cells using H4K12 as substrate by fluorogenic assay
50011977	13	ChEMBL_2035463 (CHEMBL4689621)	Inhibition of human ERG
50011977	14	ChEMBL_2035464 (CHEMBL4689622)	Displacement of [3H]pirenzapine from human recombinant M1 receptor incubated for 1 hr by radiometric scintillation counting analysis
50011977	15	ChEMBL_2035465 (CHEMBL4689623)	Displacement of [3H]AF-DX384 from human recombinant M2 receptor incubated for 1 hr by radiometric scintillation counting analysis
50011977	16	ChEMBL_2035466 (CHEMBL4689624)	Displacement of [3H]4-DAMP from human recombinant M3 receptor incubated for 1 hr by radiometric scintillation counting analysis
50011977	17	ChEMBL_2035467 (CHEMBL4689625)	Displacement of [3H]4-DAMP from human recombinant M4 receptor incubated for 1 hr by radiometric scintillation counting analysis
50011977	18	ChEMBL_2035468 (CHEMBL4689626)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 30 mins by LC-MS/MS analysis
50011977	19	ChEMBL_2035469 (CHEMBL4689627)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate incubated for 15 mins by LC-MS/MS analysis
50011977	20	ChEMBL_2035470 (CHEMBL4689628)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins by LC-MS/MS analysis
50011977	21	ChEMBL_2035471 (CHEMBL4689629)	Inhibition of CYP2C19 in human liver microsomes using (S)-(+)-mephenytoin as substrate incubated for 30 mins by LC-MS/MS analysis
50011977	22	ChEMBL_2035472 (CHEMBL4689630)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins by LC-MS/MS analysis
50011977	23	ChEMBL_2035474 (CHEMBL4689632)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 15 mins by LC-MS/MS analysis
50011977	24	ChEMBL_2035475 (CHEMBL4689633)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 30 mins by LC-MS/MS analysis
50011978	1	ChEMBL_2035521 (CHEMBL4689679)	Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reduction in kynurenine production using L-Tryptophan as substrate incubated for 48 hrs by fluorescence based assay
50011978	2	ChEMBL_2035523 (CHEMBL4689681)	Displacement of [35S]-MK499 binding to human ERG expressed in HEK293 cells incubated for 2 hrs by liquid scintillation counting method
50011978	3	ChEMBL_2035528 (CHEMBL4689686)	Inhibition of IDO1 in LPS and IFN-gamma-stimulated human Whole blood assessed as reduction in kynurenine production using isotope-labeled tryptophan as substrate incubated for 15 mins followed by LPS and IFN-gamma stimulation measured after 18 hrs by LC-MS/MS analysis
50011978	4	ChEMBL_2035530 (CHEMBL4689688)	Inhibition of CYP2C9 (unknown origin)
50011978	5	ChEMBL_2035531 (CHEMBL4689689)	Inhibition of CYP3A4 (unknown origin)
50011979	1	ChEMBL_2035548 (CHEMBL4689706)	Inhibition of N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as deacetylation of Abz-labeled acetyl peptide using Abz-GVLKacAYNO2GY-NH2 peptide as substrate incubated for 30 mins in presence of NAD+ by fluorescence microplate reader assay
50011979	2	ChEMBL_2035549 (CHEMBL4689707)	Inhibition of GST-fusion tagged human SIRT2 (34 to 356 residues) expressed in Escherichia coli BL21 (DE3) using Abz-GVLKacAYNO2GY-NH2 peptide as substrate incubated for 30 mins in presence of NAD+ by fluorescence microplate reader assay
50011979	3	ChEMBL_2035550 (CHEMBL4689708)	Inhibition of N-terminal TEV cleavage site-fused hexa-His-tagged human SIRT3 (118 to 399 residues) expressed in Escherichia coli BL21 (DE3) using Abz-GVLKacAYNO2GY-NH2 peptide as substrate incubated for 30 mins in presence of NAD+ by fluorescence microplate reader assay
50011979	4	ChEMBL_2035551 (CHEMBL4689709)	Inhibition of N-terminal 8His-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli Rosetta2 (DE3) using Abz-GVLKacAYNO2GY-NH2 peptide as substrate incubated for 30 mins in presence of NAD+ by fluorescence microplate reader assay
50011979	5	ChEMBL_2035560 (CHEMBL4689718)	Inhibition of wild type N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation equilibrium constant using Abz-GVLKacAYNO2GY-NH2 as substrate in presence of varying level of NAD+ by Lineweaver-burk plot analysis
50011979	6	ChEMBL_2035561 (CHEMBL4689719)	Inhibition of N-terminal hexa-His-tagged human SIRT1 F273L mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation equilibrium constant using Abz-GVLKacAYNO2GY-NH2 as substrate in presence of varying level of NAD+ by Lineweaver-burk plot analysis
50011979	7	ChEMBL_2035562 (CHEMBL4689720)	Inhibition of N-terminal hexa-His-tagged human SIRT1 N346A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation equilibrium constant using Abz-GVLKacAYNO2GY-NH2 as substrate in presence of varying level of NAD+ by Lineweaver-burk plot analysis
50011979	8	ChEMBL_2035563 (CHEMBL4689721)	Inhibition of N-terminal hexa-His-tagged human SIRT1 I347A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation equilibrium constant using Abz-GVLKacAYNO2GY-NH2 as substrate in presence of varying level of NAD+ by Lineweaver-burk plot analysis
50011979	9	ChEMBL_2035565 (CHEMBL4689723)	Inhibition of N-terminal hexa-His-tagged human SIRT1 F414A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation equilibrium constant using Abz-GVLKacAYNO2GY-NH2 as substrate in presence of varying level of NAD+ by Lineweaver-burk plot analysis
50011979	10	ChEMBL_2035570 (CHEMBL4689728)	Inhibition of N-terminal GST-tagged human SIRT1 using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by fluorescence assay
50011979	11	ChEMBL_2035571 (CHEMBL4689729)	Inhibition of N-terminal GST-tagged human SIRT2 using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by fluorescence assay
50011979	12	ChEMBL_2035572 (CHEMBL4689730)	Inhibition of human SIRT1 using acetyl-histone-H4 peptide as substrate in presence of NAD+
50011979	13	ChEMBL_2035573 (CHEMBL4689731)	Inhibition of GST-tagged human SIRT2 using acetyl-histone-H4 peptide as substrate in presence of NAD+
50011979	14	ChEMBL_2035574 (CHEMBL4689732)	Inhibition of His-tagged SIRT1 (unknown origin) expressed in Escherichia coli codon plus (DE3) using acetylated p53 as substrate
50011979	15	ChEMBL_2035575 (CHEMBL4689733)	Inhibition of SIRT1 (unknown origin)
50011979	16	ChEMBL_2035576 (CHEMBL4689734)	Inhibition of SIRT2 (unknown origin)
50011979	17	ChEMBL_2035577 (CHEMBL4689735)	Inhibition of SIRT3 (unknown origin)
50011980	1	ChEMBL_2035579 (CHEMBL4689737)	Antagonist activity at recombinant GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced Fluorecein-SRC2-2 coactivator peptide recruitment by LanthaScreen TR-FRET co-regulator assay
50011980	2	ChEMBL_2035580 (CHEMBL4689738)	Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-induced luciferase expression incubated for 24 hrs by luciferase reporter gene assay
50011982	1	ChEMBL_2035619 (CHEMBL4689777)	Displacement of [3H]-PGE2 from human EP3 expressed in Chem-1 cell membranes incubated for 2 hrs by TopCount scintillation plate reader analysis
50011982	2	ChEMBL_2035620 (CHEMBL4689778)	Antagonist activity at human EP3 expressed in CHO cells assessed as suppression of sulprostone-induced inhibition of forskolin induced cAMP production measured after 30 mins by HTR-FRET assay
50011982	3	ChEMBL_2035638 (CHEMBL4689796)	Binding affinity to rat EP3
50011983	1	ChEMBL_2035652 (CHEMBL4689810)	Inhibition of recombinant human N-terminal His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL using GPKRIA peptide and SAM as substrate pre-incubated for 10 mins in presence of SAM followed by substrate addition by SAHH coupled fluorescence assay
50011983	2	ChEMBL_2035670 (CHEMBL4689828)	Inhibition of NTMT1 in human HCT116 cells assessed as decrease in me3-RCC1 level incubated for 3 days by Western blot analysis
50011983	3	ChEMBL_2035674 (CHEMBL4689832)	Inhibition of NTMT1 in human HT29 cells assessed as decrease in me3-RCC1 level incubated for 3 days by Western blot analysis
50011983	4	ChEMBL_2035681 (CHEMBL4689839)	Inhibition of NTMT1 in human HCT116 cells assessed as decrease in me3-SPK level incubated for 3 days by Western blot analysis
50011984	1	ChEMBL_2044988 (CHEMBL4699687)	Displacement of [3H]-NLX from mouse MOR expressed in CHO cells incubated for 1.5 hrs by radioligand binding assay
50011984	2	ChEMBL_2044989 (CHEMBL4699688)	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by immunofluorescence assay
50011984	3	ChEMBL_2044992 (CHEMBL4699691)	Antagonist activity at mouse MOR expressed in CHO cells assessed as decrease in DAMGO-induced calcium influx incubated for 15 mins followed by DAMGO stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
50011984	4	ChEMBL_2044993 (CHEMBL4699692)	Antagonist activity at CXCR4 (unknown origin) expressed in HOS cells assessed as decrease in SDF1-induced calcium influx incubated for 15 mins followed by SDF1 stimulation and measured after 90 sec by Fluo-4AM dye based fluorescence assay
50011985	1	ChEMBL_2044994 (CHEMBL4699693)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition and measured for 180 secs by Ellman's method
50011985	2	ChEMBL_2044995 (CHEMBL4699694)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 6 mins followed by substrate addition and measured for 180 secs by Ellman's method
50011985	3	ChEMBL_2044998 (CHEMBL4699697)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated with enzyme for 15 mins followed incubation with substrate for 20 mins by Amplex red reagent based fluorescence based analysis
50011985	4	ChEMBL_2045004 (CHEMBL4699703)	Inhibition of recombinant human MAO- A using p-tyramine as substrate preincubated with enzyme for 15 mins followed incubation with substrate for 20 mins by Amplex red reagent based fluorescence based analysis
50011988	1	ChEMBL_2045076 (CHEMBL4699775)	Inhibition of recombinant full length human IRAP expressed in HEK293T cells assessed as substrate cleavage using Leu-MCA as substrate by fluorogenic assay
50011988	2	ChEMBL_2045077 (CHEMBL4699776)	Binding affinity to recombinant full length human IRAP expressed in HEK293T cells using Leu-MCA as substrate
50011989	1	ChEMBL_2045081 (CHEMBL4699780)	Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mins measured after 72 hrs by SRB assay
50011991	1	ChEMBL_2045144 (CHEMBL4699843)	Inhibition of JAK2 (unknown origin) using FRET-peptide as substrate incubated for 1 hr by Z-lyte assay
50011991	2	ChEMBL_2045145 (CHEMBL4699844)	Inhibition of MST3 (unknown origin) using FRET-peptide as substrate incubated for 1 hr by Z-lyte assay
50011991	3	ChEMBL_2045146 (CHEMBL4699845)	Inhibition of MELK (unknown origin) using FRET-peptide as substrate incubated for 1 hr by Z-lyte assay
50011991	4	ChEMBL_2045147 (CHEMBL4699846)	Inhibition of RSK2 (unknown origin) using FRET-peptide as substrate incubated for 1 hr by Z-lyte assay
50011991	5	ChEMBL_2045148 (CHEMBL4699847)	Inhibition of ERK2 (unknown origin) using FRET-peptide as substrate incubated for 1 hr by Z-lyte assay
50011991	6	ChEMBL_2045150 (CHEMBL4699849)	Displacement of kinase tracer 236 from human N-terminal His-tagged MELK (1 to 337 residues) expressed in Escherichia coli BL21 pLysS by microscale thermophoresis assay
50011992	1	ChEMBL_2045151 (CHEMBL4699850)	Displacement of [3H]UR-MK299 from Y1 receptor in human SK-N-MC cells by radioligand binding assay
50011992	2	ChEMBL_2045152 (CHEMBL4699851)	Antagonist activity at Y1 receptor in human HEL cells assessed as reduction in pNPY-induced calcium mobilization preincubated for 15 mins followed by pNPY stimulation and measured immediately by Fura-2 dye based fluorescence assay
50011996	1	ChEMBL_2045189 (CHEMBL4699888)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 15 mins by Ellman's method relative to control
50011996	2	ChEMBL_2045190 (CHEMBL4699889)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate measured for 20 mins by microplate assay
50011999	1	ChEMBL_2045208 (CHEMBL4699907)	Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method
50011999	2	ChEMBL_2045209 (CHEMBL4699908)	Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method
50012000	1	ChEMBL_2045288 (CHEMBL4699987)	Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence based microplate reader analysis
50012002	1	ChEMBL_2045302 (CHEMBL4700001)	Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis
50012002	2	ChEMBL_2045303 (CHEMBL4700002)	Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Dixon plot analysis
50012002	3	ChEMBL_2045304 (CHEMBL4700003)	Inhibition of recombinant human liver ARGI using L-arginine as substrate incubated for 60 mins by spectroscopic analysis
50012002	4	ChEMBL_2045305 (CHEMBL4700004)	Inhibition of recombinant human ARG1 expressed in CHO-K1 cells assessed as reduction in urea level incubated for 24 hrs by colorimetric assay
50012002	5	ChEMBL_2045307 (CHEMBL4700006)	Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Lineweaver-Burk plot analysis
50012002	6	ChEMBL_2045308 (CHEMBL4700007)	Mixed type inhibition of recombinant bovine liver ARGI using L-arginine as substrate incubated for 60 mins by Cornish-Bowden plot analysis
50012003	1	ChEMBL_2045321 (CHEMBL4700020)	Inhibition of wild-type recombinant HIV-1 subtype B reverse transcriptase p66/p51 heterodimer expressed in Escherichia coli using calf thymus DNA and [3H]-deoxythymidine 5'-triphophaste as substrate measured after 15 mins by liquid scintillation counting method
50012004	1	ChEMBL_2045340 (CHEMBL4700039)	Inhibition of full-length human EPHB4 expressed in MEF cells assessed as autophosphorylation by sandwitch-ELISA
50012004	2	ChEMBL_2045344 (CHEMBL4700043)	Inhibition of wild-type human ABL2 (A248 to G542 residues) expressed in bacterial expression system by Kinomescan method
50012006	1	ChEMBL_2045379 (CHEMBL4700078)	Inhibition of mitochondrial MetRS-mediated mitochondrial protein synthesis in human HepG2 cells measured after 6 days by ELISA
50012007	1	ChEMBL_2045419 (CHEMBL4700118)	Inhibition of human NEK1 by kinase-profiling analysis
50012007	2	ChEMBL_2045421 (CHEMBL4700120)	Inhibition of human CDK1 by kinase-profiling analysis
50012007	3	ChEMBL_2045427 (CHEMBL4700126)	Inhibition of human recombinant full length His-tagged NEK2 expressed in baculovirus expression system assessed as inhibition of substrate phosphorylation using peptide 11 as substrate measured after 30 mins in presence of 30 uM ATP by caliper EZ reader analysis
50012007	4	ChEMBL_2045429 (CHEMBL4700128)	Inhibition of BMX (unknown origin) preincubated with enzyme for 15 mins followed by substrate/ATP challenge for 90 mins by ProfilerPro plate based lab-chip EZ reader analysis
50012007	5	ChEMBL_2045430 (CHEMBL4700129)	Inhibition of Aurora A (unknown origin) preincubated with enzyme for 15 mins followed by substrate/ATP challenge for 90 mins by ProfilerPro plate based lab-chip EZ reader analysis
50012007	6	ChEMBL_2045431 (CHEMBL4700130)	Inhibition of human NEK2 by kinase-profiling analysis
50012007	7	ChEMBL_2045432 (CHEMBL4700131)	Inhibition of human MKK1 by kinase-profiling analysis
50012007	8	ChEMBL_2045433 (CHEMBL4700132)	Inhibition of human MLK1 by kinase-profiling analysis
50012007	9	ChEMBL_2045434 (CHEMBL4700133)	Inhibition of human MLK3 by kinase-profiling analysis
50012007	10	ChEMBL_2045435 (CHEMBL4700134)	Inhibition of human NAUK1 by kinase-profiling analysis
50012007	11	ChEMBL_2045436 (CHEMBL4700135)	Inhibition of human TBK1 by kinase-profiling analysis
50012007	12	ChEMBL_2045437 (CHEMBL4700136)	Inhibition of human TAK1 by kinase-profiling analysis
50012007	13	ChEMBL_2045438 (CHEMBL4700137)	Inhibition of human JAK2 by kinase-profiling analysis
50012007	14	ChEMBL_2045439 (CHEMBL4700138)	Inhibition of human ChK1 by kinase-profiling analysis
50012007	15	ChEMBL_2045457 (CHEMBL4700156)	Inhibition of NEK2 (unknown origin)
50012007	16	ChEMBL_2045471 (CHEMBL4700170)	Inhibition of human CDK7 by kinase-profiling analysis
50012007	17	ChEMBL_2045472 (CHEMBL4700171)	Inhibition of human CDK9 by kinase-profiling analysis
50012007	18	ChEMBL_2045473 (CHEMBL4700172)	Inhibition of human Plk1 by kinase-profiling analysis
50012007	19	ChEMBL_2045474 (CHEMBL4700173)	Inhibition of human P70S6K by kinase-profiling analysis
50012007	20	ChEMBL_2045475 (CHEMBL4700174)	Inhibition of human ChK2 by kinase-profiling analysis
50012007	21	ChEMBL_2045476 (CHEMBL4700175)	Inhibition of human Aurora A by kinase-profiling analysis
50012007	22	ChEMBL_2045478 (CHEMBL4700177)	Inhibition of human RSK1 by kinase-profiling analysis
50012007	23	ChEMBL_2045480 (CHEMBL4700179)	Inhibition of human ERK1 by kinase-profiling analysis
50012007	24	ChEMBL_2045482 (CHEMBL4700181)	Inhibition of human CK1d by kinase-profiling analysis
50012007	25	ChEMBL_2045483 (CHEMBL4700182)	Inhibition of human ABL by kinase-profiling analysis
50012007	26	ChEMBL_2045484 (CHEMBL4700183)	Inhibition of human FYN by kinase-profiling analysis
50012007	27	ChEMBL_2045485 (CHEMBL4700184)	Inhibition of human LYN by kinase-profiling analysis
50012007	28	ChEMBL_2045486 (CHEMBL4700185)	Inhibition of human MET by kinase-profiling analysis
50012007	29	ChEMBL_2045487 (CHEMBL4700186)	Inhibition of human LCK by kinase-profiling analysis
50012007	30	ChEMBL_2045488 (CHEMBL4700187)	Inhibition of human SRC by kinase-profiling analysis
50012007	31	ChEMBL_2045489 (CHEMBL4700188)	Inhibition of human GSK-3beta by kinase-profiling analysis
50012007	32	ChEMBL_2045490 (CHEMBL4700189)	Inhibition of human ERK2 by kinase-profiling analysis
50012007	33	ChEMBL_2045492 (CHEMBL4700191)	Inhibition of human AKT2 by kinase-profiling analysis
50012008	1	ChEMBL_2045546 (CHEMBL4700245)	Competitive inhibition of human DMT1 expressed in HEK293T cells by measuring inhibition of radiolabeled-55Fe2+ uptake by Dixon plot analysis
50012008	2	ChEMBL_2045549 (CHEMBL4700248)	Inhibition of human DMT1 expressed in Xenopus oocytes assessed as inhibition of channel currents at -50 mV holding potential by two-electrode voltage clamp assay
50012008	3	ChEMBL_2045557 (CHEMBL4700256)	Inhibition of human DMT1 expressed in HEK293 cells assessed as inhibition of radiolabeled 55Fe2+ uptake incubated for 1 hr by microplate scintillation counting analysis
50012008	4	ChEMBL_2045558 (CHEMBL4700257)	Inhibition of human DMT1 expressed in HEK293T cells assessed as inhibition of radiolabeled 55Fe2+ uptake preincubated with compound for 5 mins followed by incubation with Fe2+ and radiolabeled 55Fe2+ for 15 mins at extracellular pH of 5.5 by scintillation counting analysis
50012009	1	ChEMBL_2045565 (CHEMBL4700264)	Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 5 mins by fluorometric analysis
50012009	2	ChEMBL_2045566 (CHEMBL4700265)	Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethylcoumarin as substrate measured after 30 mins by fluorometric analysis
50012010	1	ChEMBL_2045583 (CHEMBL4700282)	Agonist activity at PAR2 in human EA.hy926 cells assessed as stimulation of calcium mobilization by Fluo-4-AM dye-based FLIPR assay
50012010	2	ChEMBL_2045584 (CHEMBL4700283)	Agonist activity at PAR2 in HUVEC cells assessed as stimulation of calcium mobilization by Fluo-4-AM dye-based FLIPR assay
50012010	3	ChEMBL_2045585 (CHEMBL4700284)	Agonist activity at PAR2 in human EA.hy926 cells assessed as stimulation of calcium mobilization preincubated for 2 hrs with LPS and 30 mins with cRGD followed by compound addition by Fluo-4-AM dye-based FLIPR assay
50012010	4	ChEMBL_2045586 (CHEMBL4700285)	Agonist activity at PAR2 in human EA.hy926 cells assessed as stimulation of calcium mobilization preincubated for 2 hrs with LPS followed by compound addition in absence of cRGD by Fluo-4-AM dye-based FLIPR assay
50012010	5	ChEMBL_2045587 (CHEMBL4700286)	Agonist activity at PAR2 in human EA.hy926 cells assessed as stimulation of calcium mobilization treated with cRGD for 30 mins prior to compound addition by Fluo-4-AM dye-based FLIPR assay
50012011	1	ChEMBL_2045678 (CHEMBL4700377)	Inhibition of EGFR (unknown origin) using Tyrosine 4 peptide and ATP as substrate incubated for 1 hr by Z'-lyte kinase assay based UV-VIS spectrophotometric method
50012011	2	ChEMBL_2045685 (CHEMBL4700384)	Inhibition of CDK2/Cyclin A (unknown origin) using Ser/Thr 12 peptide as substrate incubated for 1 hr
50012011	3	ChEMBL_2045686 (CHEMBL4700385)	Inhibition of CDK4/Cyclin D1 (unknown origin) using Rb protein as substrate incubated for 1 hr
50012011	4	ChEMBL_2045687 (CHEMBL4700386)	Inhibition of CDK6/Cyclin D1 (unknown origin) using Rb protein as substrate incubated for 1 hr
50012011	5	ChEMBL_2045689 (CHEMBL4700388)	Inhibition of CDK4/Cyclin D3 (unknown origin) using Rb protein as substrate incubated for 1 hr
50012013	1	ChEMBL_2045700 (CHEMBL4700399)	Inhibition of human recombinant MAO-A using tyramine as substrate preincubated with enzyme for 30 mins followed by incubation with substrate for 30 mins by Amplex Red reagent based fluorometric method
50012013	2	ChEMBL_2045703 (CHEMBL4700402)	Competitive inhibition of human recombinant MAO-A using tyramine as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured for 30 mins by Lineweaver-burk plot analysis
50012014	1	ChEMBL_2045770 (CHEMBL4700469)	Inhibition of CYP1A2 (unknown origin)
50012014	2	ChEMBL_2045771 (CHEMBL4700470)	Inhibition of CYP2C9 (unknown origin)
50012014	3	ChEMBL_2045772 (CHEMBL4700471)	Inhibition of CYP2C19 (unknown origin)
50012014	4	ChEMBL_2045773 (CHEMBL4700472)	Inhibition of CYP3A4 (unknown origin)
50012014	5	ChEMBL_2045774 (CHEMBL4700473)	Inhibition of CYP2D6 (unknown origin)
50012014	6	ChEMBL_2045776 (CHEMBL4700475)	Inhibition of human ERG
50012015	1	ChEMBL_2045808 (CHEMBL4700507)	Inhibition of CYP1A2 (unknown origin)
50012015	2	ChEMBL_2045809 (CHEMBL4700508)	Inhibition of CYP2C9 (unknown origin)
50012015	3	ChEMBL_2045810 (CHEMBL4700509)	Inhibition of CYP2C19 (unknown origin)
50012015	4	ChEMBL_2045811 (CHEMBL4700510)	Inhibition of CYP2D6 (unknown origin)
50012015	5	ChEMBL_2045812 (CHEMBL4700511)	Inhibition of CYP3A4 (unknown origin)
50012015	6	ChEMBL_2045815 (CHEMBL4700514)	Inhibition of human ERG by patch clamp assay
50012015	7	ChEMBL_2045816 (CHEMBL4700515)	Inhibition of Nav1.5 (unknown origin) by patch clamp assay
50012015	8	ChEMBL_2045817 (CHEMBL4700516)	Inhibition of Cav1.2 (unknown origin) by patch clamp assay
50012015	9	ChEMBL_2045822 (CHEMBL4700521)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate incubated for 30 mins by ethidium bromide staining based gel electrophoresis analysis
50012015	10	ChEMBL_2045823 (CHEMBL4700522)	Inhibition of Staphylococcus aureus topoisomerase IV using kDNA as substrate incubated for 30 mins by ethidium bromide staining based gel electrophoresis analysis
50012017	1	ChEMBL_2045826 (CHEMBL4700525)	Binding affinity to human saposin D (1 to 81 residues) expressed in Escherichia coli at 25 degree C by electronic absorption spectroscopy
50012017	2	ChEMBL_2045828 (CHEMBL4700527)	Binding affinity to human saposin D (1 to 81 residues) expressed in Escherichia coli at 25 degree C by fluorescence quenching spectroscopy
50012019	1	ChEMBL_2045851 (CHEMBL4700550)	Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assay
50012019	2	ChEMBL_2045852 (CHEMBL4700551)	Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluorescence assay
50012019	3	ChEMBL_2045853 (CHEMBL4700552)	Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay
50012019	4	ChEMBL_2045854 (CHEMBL4700553)	Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 6 days by thioflavin S based fluorescence assay
50012019	5	ChEMBL_2045855 (CHEMBL4700554)	Inhibition of wild type alpha-synuclein aggregation (unknown origin) expressed in Escherichia coli BL21 cells incubated for 30 days by thioflavin T based fluorescence assay
50012019	6	ChEMBL_2045857 (CHEMBL4700556)	Binding affinity to alpha-synuclein preformed fibrils (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis
50012019	7	ChEMBL_2045858 (CHEMBL4700557)	Binding affinity to alpha-synuclein oligomer (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis
50012019	8	ChEMBL_2045859 (CHEMBL4700558)	Binding affinity to alpha-synuclein LMV 100 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis
50012019	9	ChEMBL_2045860 (CHEMBL4700559)	Binding affinity to alpha-synuclein LMV 50 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis
50012019	10	ChEMBL_2045865 (CHEMBL4700564)	Binding affinity to human alpha-synuclein (1 to 140 residues) expressed in Escherichia coli by isothermal titration calorimetry
50012019	11	ChEMBL_2045866 (CHEMBL4700565)	Inhibition of wild type human alpha-synuclein fibrillization expressed in Escherichia coli BL21(DE3)pLysS by thioflavin-T based fluorescence assay
50012019	12	ChEMBL_2045871 (CHEMBL4700570)	Inhibition of amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay
50012019	13	ChEMBL_2045872 (CHEMBL4700571)	Binding affinity to alpha-synuclein (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS by fluorescence method
50012019	14	ChEMBL_2045873 (CHEMBL4700572)	Binding affinity to alpha-synuclein (unknown origin) expressed in Escherichia coli BL21(DE3) by circular dichroism analysis
50012019	15	ChEMBL_2045874 (CHEMBL4700573)	Binding affinity to human alpha-synuclein (1-140 residues) expressed in Escherichia coli BL21(DE3) assessed as first dissociation constant by mass-spectrometry
50012019	16	ChEMBL_2045875 (CHEMBL4700574)	Binding affinity to human alpha-synuclein (1-140 residues) expressed in Escherichia coli BL21(DE3) assessed as second dissociation constant by mass-spectrometry
50012020	1	ChEMBL_2045881 (CHEMBL4700580)	Non-competitive inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate at 0.15 to 0.6 uM preincubated for 10 mins followed by substrate addition and measured for 10 mins by Ellman's method based Line-weaver Burk plot analysis
50012020	2	ChEMBL_2045882 (CHEMBL4700581)	Inhibition of recombinant Electric eel AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition and measured for every 30 sec for 4 mins by Ellman's method
50012020	3	ChEMBL_2045883 (CHEMBL4700582)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate incubated for 30 mins followed by substrate addition and measured for 20 mins by Ellman's method
50012020	4	ChEMBL_2045884 (CHEMBL4700583)	Inhibition of recombinant Electric eel AChE incubated for 15 mins by amplex red reagent based fluorescence assay
50012020	5	ChEMBL_2045886 (CHEMBL4700585)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by DTNB reagent based Ellman's method
50012020	6	ChEMBL_2045887 (CHEMBL4700586)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by DTNB reagent based Ellman's method
50012021	1	ChEMBL_2045980 (CHEMBL4700679)	Antibacterial activity against Enterococcus faecalis MTCC 439 incubated overnight by broth dilution technique
50012022	1	ChEMBL_2046076 (CHEMBL4700775)	Inhibition of human ERG by patch clamp method
50012022	2	ChEMBL_2046079 (CHEMBL4700778)	Inhibition of human UGT1A1
50012022	3	ChEMBL_2046080 (CHEMBL4700779)	Inhibition of OATP1B1 (unknown origin)
50012022	4	ChEMBL_2046095 (CHEMBL4700794)	Transactivation of PXR (unknown origin) assessed as CYP450 induction
50012022	5	ChEMBL_2046109 (CHEMBL4700808)	Inhibition of CYP1A2 in human liver microsomes
50012022	6	ChEMBL_2046110 (CHEMBL4700809)	Inhibition of CYP2B6 in human liver microsomes
50012022	7	ChEMBL_2046111 (CHEMBL4700810)	Inhibition of CYP2C8 in human liver microsomes
50012022	8	ChEMBL_2046112 (CHEMBL4700811)	Inhibition of CYP2C9 in human liver microsomes
50012022	9	ChEMBL_2046113 (CHEMBL4700812)	Inhibition of CYP2C19 in human liver microsomes
50012022	10	ChEMBL_2046114 (CHEMBL4700813)	Inhibition of CYP2D6 in human liver microsomes
50012022	11	ChEMBL_2046115 (CHEMBL4700814)	Inhibition of CYP3A4 in human liver microsomes measured after 30 mins
50012022	12	ChEMBL_2046116 (CHEMBL4700815)	Time dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constant
50012024	1	ChEMBL_2046159 (CHEMBL4700858)	Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
50012024	2	ChEMBL_2046166 (CHEMBL4700865)	Immunomodulatory activity at human S1PR2 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
50012024	3	ChEMBL_2046167 (CHEMBL4700866)	Immunomodulatory activity in human S1PR3 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
50012024	4	ChEMBL_2046168 (CHEMBL4700867)	Immunomodulatory activity in human S1PR4 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
50012025	1	ChEMBL_2046246 (CHEMBL4700945)	Activation of human GPR10 overexpressed in CHO-K1 cells assessed as increase in beta arrestin recruitment incubated for 90 mins in presence of 10% FBS by PathHunter assay
50012025	2	ChEMBL_2046248 (CHEMBL4700947)	Activation of human NPFF2R overexpressing CHO cells assessed as inhibition of forskolin-stimulated cAMP degradation incubated for 30 mins in presence of IBMX and 10% FBS by fluorescence based assay
50012025	3	ChEMBL_2046249 (CHEMBL4700948)	Activation of human NPFF2R overexpressing CHO cells assessed as inhibition of forskolin-stimulated cAMP degradation incubated for 30 mins in presence of IBMX by fluorescence based assay
50012025	4	ChEMBL_2046262 (CHEMBL4700961)	Activation of human GPR10 overexpressed in CHO-K1 cells assessed as increase in beta arrestin recruitment incubated for 90 mins by PathHunter assay
50012027	1	ChEMBL_2046286 (CHEMBL4700985)	Inhibition of wild type human HIS6-tagged PTP1B (1 to 400 residues) expressed in Escherichia coli Rosetta (DE3) pLysS cells using p-NPP substrate preincubated for 10 mins followed dby substrate addition and measured after 20 mins
50012030	1	ChEMBL_2046298 (CHEMBL4700997)	Antagonist activity at human adenosine 2A receptor
50012030	2	ChEMBL_2046299 (CHEMBL4700998)	Inhibition of human adenosine 2B receptor
50012030	3	ChEMBL_2046300 (CHEMBL4700999)	Inhibition of human adenosine A1 receptor
50012030	4	ChEMBL_2046301 (CHEMBL4701000)	Inhibition of human adenosine A3 receptor
50012030	5	ChEMBL_2046302 (CHEMBL4701001)	Antagonist activity at human adenosine 2A receptor (409 to 412 residues) expressed in CHO cells using Ysi-poly-1-lysine as substrate incubated for 1 hr in presence of 3H-SCH-58261 by scintillation counting method
50012030	6	ChEMBL_2046303 (CHEMBL4701002)	Inhibition of FRET-labelled CA200645 binding to human adenosine 2A receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay
50012030	7	ChEMBL_2046304 (CHEMBL4701003)	Inhibition of FRET-labelled CA200645 binding to human adenosine 2B receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay
50012030	8	ChEMBL_2046305 (CHEMBL4701004)	Inhibition of FRET-labelled CA200645 binding to human adenosine A1 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay
50012030	9	ChEMBL_2046306 (CHEMBL4701005)	Inhibition of FRET-labelled CA200645 binding to human adenosine A3 receptor expressed in CHO cells incubated for 2 hr by TR-FRET assay
50012030	10	ChEMBL_2046307 (CHEMBL4701006)	Antagonist activity at adenosine 2A receptor in human PBMC assessed as reversal of NECA/CD3/CD28-stimulated IL-2 release incubated for 24 hrs
50012030	11	ChEMBL_2046310 (CHEMBL4701009)	Antagonist activity at adenosine 2A receptor in human whole blood assessed as reduction in phosphorylated CREB level preincubated for 20 mins followed by adenosine receptor agonist NECA addition and measured after 30 mins by flow cytometric analysis
50012030	12	ChEMBL_2046311 (CHEMBL4701010)	Antagonist activity at adenosine 2A receptor in human blood assessed as reversal of NECA/LPS-stimulated TNF-alpha release incubated for 5 hrs
50012030	13	ChEMBL_2046312 (CHEMBL4701011)	Displacement of [125I]-AB MECA from human adenosine A3 receptor expressed in CHO-K1 cells incubated for 60 mins by scintillation counting method
50012030	14	ChEMBL_2046321 (CHEMBL4701020)	Displacement of [3H]CGS-21680 from human adenosine 2A receptor expressed in HEK293 cells incubated for 90 mins by scintillation counting method
50012030	15	ChEMBL_2046322 (CHEMBL4701021)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells incubated for 90 mins by scintillation counting method
50012030	16	ChEMBL_2046323 (CHEMBL4701022)	Displacement of [3H]-ZM241385 from human adenosine 2B receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method
50012030	17	ChEMBL_2046324 (CHEMBL4701023)	Antagonist activity at human adenosine 2A receptor expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP by immunoassay
50012030	18	ChEMBL_2046325 (CHEMBL4701024)	Antagonist activity at adenosine 2A receptor in human T cells assessed as inhibition of cAMP incubated for 10 mins by Eu-cAMP tracer based TR-FRET assay
50012030	19	ChEMBL_2046326 (CHEMBL4701025)	Antagonist activity at human adenosine 2A receptor expressed in HEK293 cells assessed as reduction in NECA-induced cAMP level incubated for 15 mins by HTRF assay
50012030	20	ChEMBL_2046327 (CHEMBL4701026)	Antagonist activity at human adenosine 2A receptor expressed in HEK293 cells assessed as reduction in cAMP production preincubated for 10 mins followed by 3 nM A2A agonist NECA addition and measured after 30 mins by EU-cAMP tracer based TR-FRET assay
50012030	21	ChEMBL_2046328 (CHEMBL4701027)	Antagonist activity at human adenosine 2A receptor expressed in HEK293 cells assessed as reduction in cAMP production preincubated for 10 mins followed by 5 nM A2A agonist NECA addition and measured after 30 mins by EU-cAMP tracer based TR-FRET assay
50012030	22	ChEMBL_2046329 (CHEMBL4701028)	Antagonist activity at human adenosine 2A receptor expressed in HEK293 cells assessed as reduction in cAMP production preincubated for 10 mins followed by adenosine addition and measured after 30 mins by EU-cAMP tracer based TR-FRET assay
50012030	23	ChEMBL_2046330 (CHEMBL4701029)	Antagonist activity at adenosine 2A receptor in human peripheral blood lymphocytes assessed as reduction in NECA-stimulated CREB phosphorylation by flow cytometric analysis
50012030	24	ChEMBL_2046333 (CHEMBL4701032)	Displacement of [3H]SCH58261 from human adenosine 2A receptor expressed in HEK293 cell membranes incubated for 1.5 hrs by radioligand competition binding assay
50012030	25	ChEMBL_2046339 (CHEMBL4701038)	Antagonist activity at adenosine 2A receptor in BALB/c mouse T cells assessed as reduction in CGS-21680-induced suppression of IL-2 secretion incubated for 24 hrs by ELISA
50012030	26	ChEMBL_2046340 (CHEMBL4701039)	Antagonist activity at adenosine 2A receptor in BALB/c mouse T cells assessed as reduction in CGS-21680-induced suppression of IFN-gamma secretion incubated for 24 hrs by ELISA
50012030	27	ChEMBL_2046341 (CHEMBL4701040)	Displacement of [3H]ZM241385 from human adenosine 2A receptor transfected in human HeLa cells incubated for 30 mins by competition radioligand binding assay
50012030	28	ChEMBL_2046342 (CHEMBL4701041)	Antagonist activity at human adenosine A1 receptor expressed in CHO cells by radioligand competition binding assay
50012030	29	ChEMBL_2046343 (CHEMBL4701042)	Antagonist activity at human adenosine A2b receptor expressed in HEK293 cells by radioligand competition binding assay
50012030	30	ChEMBL_2046344 (CHEMBL4701043)	Antagonist activity at human adenosine A3 receptor expressed in HeLa cells by radioligand competition binding assay
50012030	31	ChEMBL_2046345 (CHEMBL4701044)	Antagonist activity at adenosine 2A receptor (unknown origin) expressed in CHO cells assessed as reduction in intracellular cAMP level preincubated for 15 mins followed by NECA addition and measured after 15 mins by immunoassay method
50012030	32	ChEMBL_2046346 (CHEMBL4701045)	Displacement of [3H]-ZM241385 from human adenosine 2A receptor expressed in HEK293 cells incubated for 1.5 hrs by beta scintillation counting method
50012030	33	ChEMBL_2046348 (CHEMBL4701047)	Antagonist activity at human adenosine A2b receptor expressed in HEK293T cells by radioligand competition binding assay
50012030	34	ChEMBL_2046349 (CHEMBL4701048)	Antagonist activity at human adenosine A3 receptor expressed in HEK293T cells by radioligand competition binding assay
50012030	35	ChEMBL_2046350 (CHEMBL4701049)	Antagonist activity at human adenosine 2A receptor expressed in HEK293T cells by radioligand competition binding assay
50012030	36	ChEMBL_2046351 (CHEMBL4701050)	Antagonist activity at human adenosine 2A receptor expressed in CHO-K1 cells assessed as reduction in cAMP level in presence of 10 uM adenosine by fluorescent Assay
50012030	37	ChEMBL_2046352 (CHEMBL4701051)	Antagonist activity at human adenosine 2A receptor expressed in CHO-K1 cells assessed as reduction in cAMP level in presence of 0.1 uM adenosine by fluorescent Assay
50012030	38	ChEMBL_2046353 (CHEMBL4701052)	Antagonist activity at rat adenosine 2A receptor assessed as reduction in cAMP level in presence of 0.1 uM adenosine
50012030	39	ChEMBL_2046354 (CHEMBL4701053)	Antagonist activity at rat adenosine 2A receptor assessed as reduction in cAMP level in presence of 10 uM adenosine
50012030	40	ChEMBL_2046355 (CHEMBL4701054)	Antagonist activity at adenosine 2A receptor (unknown origin) in presence of 1 uM adenosine
50012030	41	ChEMBL_2046360 (CHEMBL4701059)	Antagonist activity at adenosine 2A receptor (unknown origin) in presence of high adenosine
50012031	1	ChEMBL_2046362 (CHEMBL4701061)	Inhibition of human ERG
50012032	1	ChEMBL_2046368 (CHEMBL4701067)	Inhibition of recombinant human full-length N-terminal His6-tagged BTK expressed in baculovirus infected Sf21 insect cells using fluorescein-labeled polyGAT peptide substrate measured after 30 mins by TR-FRET assay
50012032	2	ChEMBL_2046374 (CHEMBL4701073)	Binding affinity to wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method
50012032	3	ChEMBL_2046375 (CHEMBL4701074)	Binding affinity to wild-type human partial length KIT (I571 to D952 residues) expressed in bacterial expression system by Kinomescan method
50012032	4	ChEMBL_2046376 (CHEMBL4701075)	Binding affinity to wild-type human partial length PDGFRB (V582 to Y1009 residues) expressed in bacterial expression system by Kinomescan method
50012032	5	ChEMBL_2046377 (CHEMBL4701076)	Binding affinity to wild-type human partial length YSK4 (T1019 to H1328 residues) expressed in mammalian expression system by Kinomescan method
50012032	6	ChEMBL_2046378 (CHEMBL4701077)	Inhibition of BTK in human whole blood assessed as reduction in BTK phosphorylation measured after 30 mins by phosphotyrosine detection method
50012032	7	ChEMBL_2046395 (CHEMBL4701094)	Binding affinity to human wild-type AAK1 (G25 to L333 residues) expressed in bacterial expression system by Kinomescan method
50012032	8	ChEMBL_2046396 (CHEMBL4701095)	Binding affinity to human wild-type BMP2K (S34 to N329 residues) expressed in bacterial expression system by Kinomescan method
50012032	9	ChEMBL_2046397 (CHEMBL4701096)	Binding affinity to wild-type human partial length CDKL2 (M1 to D327 residues) expressed in bacterial expression system by Kinomescan method
50012032	10	ChEMBL_2046398 (CHEMBL4701097)	Binding affinity to wild-type human partial length JAK2 JH1 catalytic domain (A829 to G1132 residues) expressed in mammalian expression system by Kinomescan method
50012032	11	ChEMBL_2046399 (CHEMBL4701098)	Binding affinity to wild-type human full length PIP5K1A (M1 to H562 residues) expressed in bacterial expression system by Kinomescan method
50012032	12	ChEMBL_2046400 (CHEMBL4701099)	Binding affinity to wild-type human full length RIOK1 (M1 to K568 residues) expressed in bacterial expression system by Kinomescan method
50012032	13	ChEMBL_2046401 (CHEMBL4701100)	Binding affinity to wild-type human partial length RIOK2 (M1 to D313 residues) expressed in mammalian expression system by Kinomescan method
50012032	14	ChEMBL_2046402 (CHEMBL4701101)	Binding affinity to wild-type human full length BTK (M1 to S659 residues) expressed in mammalian expression system by Kinomescan method
50012032	15	ChEMBL_2046416 (CHEMBL4701115)	Inhibition of BTK in human Ramos cells assessed as reduction in BCR mediated PLCgamma2 phosphorylation
50012032	16	ChEMBL_2046417 (CHEMBL4701116)	Inhibition of BTK in human PBMC assessed as reduction in anti-IgD-induced B cell activation preincubated for 30 mins followed by rabbit F(ab')2 anti-human IgD stimulation and measured after 18 to 22 hrs by CD19-APC and CD69-PE staining based flow cytometry
50012032	17	ChEMBL_2046418 (CHEMBL4701117)	Inhibition of BTK in human PBMC assessed as reduction in goat F(ab')2 anti-human IgM antibody-induced B cell activation measured after 3 days by celltiter-glo assay
50012032	18	ChEMBL_2046443 (CHEMBL4701142)	Antagonist activity at human H2 receptor
50012032	19	ChEMBL_2046444 (CHEMBL4701143)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50012032	20	ChEMBL_2046445 (CHEMBL4701144)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50012032	21	ChEMBL_2046446 (CHEMBL4701145)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50012032	22	ChEMBL_2046447 (CHEMBL4701146)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50012032	23	ChEMBL_2046448 (CHEMBL4701147)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50012032	24	ChEMBL_2046449 (CHEMBL4701148)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 15 mins in presence of NADPH by LC-MS/MS analysis
50012032	25	ChEMBL_2046450 (CHEMBL4701149)	Time-dependent inhibition of CYP3A4 in human liver microsomes using testosterone in presence of NADPH by LC-MS/MS analysis
50012032	26	ChEMBL_2046454 (CHEMBL4701153)	Inhibition of human ERG by automated patch-clamp assay
50012032	27	ChEMBL_2046473 (CHEMBL4701172)	Inhibition of BTK in human whole blood derived neutrophils assessed as reduction in SLE IC/FcgammaR-induced ROS generation preincubated for 30 mins followed by SLE IC/FcgammaR stimulation and measured after 1 hr by DHR123 dye based fluorescence assay
50012032	28	ChEMBL_2046474 (CHEMBL4701173)	Inhibition of BTK in human PBMC assessed as suppression of TNFalpha/FcgammaR-induced monocyte activation by measuring reduction in cytokine production
50012032	29	ChEMBL_2046475 (CHEMBL4701174)	Inhibition of BTK in DBA1 mouse whole blood assessed as reduction in BTK phosphorylation
50012033	1	ChEMBL_2046568 (CHEMBL4701267)	Inverse agonist activity at RORgammat in human Jurkat cells by Gal4 reporter assay
50012033	2	ChEMBL_2046569 (CHEMBL4701268)	Transactivation of PXR in human HepG2 cells
50012034	1	ChEMBL_2046583 (CHEMBL4701282)	Inhibition of tracer 236 binding to recombinant human GST-tagged TNK2 (110 to 476 residues) expressed in baculovirus expression system incubated for 60 mins by by Lanthascreen assay
50012036	1	ChEMBL_2046596 (CHEMBL4701295)	Inhibition of S6K1 in PTEN-null human PC-3 cells assessed as inhibition of cell proliferation
50012037	1	ChEMBL_2046597 (CHEMBL4701296)	Inhibition of recombinant SIRT2 (unknown origin) using FAM-labeled RHKK(Ac) LM peptide as substrate incubated for 60 mins by electrophoretic mobility shift assay
50012042	1	ChEMBL_2046603 (CHEMBL4701302)	Inhibition of N-terminal FLAG-tagged and C-terminal strep-tagged human PARP10 (805 to 1025 residues) expressed in baculovirus infected Sf9 cells assessed as reduction in NAD+-dependent ADP ribosylation using histone as substrate incubated for 1 hr in presence of biotinylated NAD+ and activated DNA by chemiluminescence based microplate reader assay
50012043	1	ChEMBL_2046645 (CHEMBL4701344)	Inhibition of Sprague-Dawley rat acetylcholinesterase using acetylthiocholine iodide as substrate measured at 30 secs for 5 mins by Ellman's method
50012043	2	ChEMBL_2046646 (CHEMBL4701345)	Inhibition of estrogen sulfotransferase in human liver cytosol incubated for 30 mins in presence of [3H]-estradiol and adenosine -3'-phosphate 5'-phosphosulfate by liquid scintillation counting method
50012045	2	ChEMBL_2046683 (CHEMBL4701382)	Inhibition of human GSK3beta
50012045	3	ChEMBL_2046684 (CHEMBL4701383)	Inhibition of CDK1 (unknown origin)
50012045	4	ChEMBL_2046685 (CHEMBL4701384)	Inhibition of CDK2 (unknown origin)
50012045	5	ChEMBL_2046686 (CHEMBL4701385)	Inhibition of CDK4 (unknown origin)
50012045	6	ChEMBL_2046687 (CHEMBL4701386)	Inhibition of CDK5 (unknown origin)
50012045	7	ChEMBL_2046688 (CHEMBL4701387)	Inhibition of CDK6 (unknown origin)
50012045	8	ChEMBL_2046689 (CHEMBL4701388)	Inhibition of CDK7 (unknown origin)
50012045	9	ChEMBL_2046690 (CHEMBL4701389)	Inhibition of CDK9 (unknown origin)
50012045	10	ChEMBL_2046691 (CHEMBL4701390)	Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presence of high ATP
50012045	11	ChEMBL_2046696 (CHEMBL4701395)	Inhibition of CDK1/cyclin B (unknown origin)
50012045	12	ChEMBL_2046697 (CHEMBL4701396)	Inhibition of CDK2/Cyclin A (unknown origin)
50012045	13	ChEMBL_2046698 (CHEMBL4701397)	Inhibition of human CDK4/cyclin D1 expressed in baculovirus infected Sf9 cells using GST-retinoblastoma (776 to 928 residues) as substrate incubated for 30 mins by scintillation counting method
50012045	14	ChEMBL_2046699 (CHEMBL4701398)	Inhibition of CDK6/Cyclin D3 (unknown origin)
50012045	15	ChEMBL_2046700 (CHEMBL4701399)	Inhibition of CDK9/cyclin-T1 (unknown origin)
50012045	16	ChEMBL_2046701 (CHEMBL4701400)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK1 (M1 to M297 residues)/cyclin B1 (M1 to V433 residues) expressed in baculovirus infected Sf9 insect cells
50012045	17	ChEMBL_2046702 (CHEMBL4701401)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK2 (M1 to L298 residues)/cyclin A2 (M1 to L432 residues) expressed in baculovirus infected Sf9 insect cells
50012045	18	ChEMBL_2046703 (CHEMBL4701402)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK4 (S4 to E303 residues)/cyclin D1 (Q4 to I295 residues) expressed in baculovirus infected Sf9 insect cells
50012045	19	ChEMBL_2046704 (CHEMBL4701403)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK6 (M1 to A326 residues)/cyclin D3 (M1 to L292 residues) expressed in baculovirus infected Sf9 insect cells
50012045	20	ChEMBL_2046705 (CHEMBL4701404)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK5 (M1 to P292 residues)/p35 (M1 to R307 residues) expressed in baculovirus infected Sf9 insect cells
50012045	21	ChEMBL_2046706 (CHEMBL4701405)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK8 (M1 to Y463 residues)/cyclin D3 (M1 to S283 residues) expressed in baculovirus infected Sf9 insect cells
50012045	22	ChEMBL_2046708 (CHEMBL4701407)	Inhibition of human CDK1
50012045	23	ChEMBL_2046709 (CHEMBL4701408)	Inhibition of human CDK2
50012045	24	ChEMBL_2046710 (CHEMBL4701409)	Inhibition of C-terminal His6-tagged human CDK3/N-terminal GST-tagged human cyclin E
50012045	25	ChEMBL_2046711 (CHEMBL4701410)	Inhibition of human CDK5
50012045	26	ChEMBL_2046712 (CHEMBL4701411)	Inhibition of human CDK9
50012045	27	ChEMBL_2046713 (CHEMBL4701412)	Inhibition of human CDK2/cyclin A expressed in insect cells using histone H1 as substrate incubated for 30 mins by scintillation counting method
50012045	28	ChEMBL_2046714 (CHEMBL4701413)	Inhibition of human CDK9/cyclin T expressed in insect cells using pRB fragment (773 to 928 residues) as substrate incubated for 30 mins by scintillation counting method
50012045	29	ChEMBL_2046716 (CHEMBL4701415)	Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by ATP and substrate addition and measured after 25 mins by TR-FRET assay
50012045	30	ChEMBL_2046717 (CHEMBL4701416)	Inhibition of His-tagged human CDK2/cyclin E1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by ATP and substrate addition and measured after 25 mins by TR-FRET assay
50012045	31	ChEMBL_2046719 (CHEMBL4701418)	Inhibition of C-terminal His6-tagged human full length CDK1/N-terminal GST-tagged human full length Cyclin B expressed in baculovirus infected Sf21 insect cells
50012045	32	ChEMBL_2046720 (CHEMBL4701419)	Inhibition of human GSK3alpha
50012045	33	ChEMBL_2046724 (CHEMBL4701423)	Inhibition of C-terminal His6-tagged human CDK9/cyclin-T1 expressed in baculovirus infected Sf21 insect cells
50012045	34	ChEMBL_2046725 (CHEMBL4701424)	Inhibition of N-terminal GST-tagged thrombin cleavage site-fused human CDK1/cyclin-B expressed in baculovirus infected Sf9 insect cells
50012045	35	ChEMBL_2046726 (CHEMBL4701425)	Inhibition of C-terminal His6-tagged human CDK2/N-terminal GST-tagged human cyclin E expressed in baculovirus infected Sf21 insect cells
50012045	36	ChEMBL_2046727 (CHEMBL4701426)	Inhibition of C-terminal His6-tagged human CDK3/N-terminal GST-tagged human cyclin E expressed in baculovirus infected Sf21 insect cells
50012045	37	ChEMBL_2046728 (CHEMBL4701427)	Inhibition of N-terminal GST-tagged human CDK5/N-terminal GST-tagged p35
50012045	38	ChEMBL_2046729 (CHEMBL4701428)	Inhibition of N-terminal His6-tagged human CDK6/N-terminal GST-tagged human cyclin D3 expressed in baculovirus infected Sf21 insect cells
50012045	39	ChEMBL_2046730 (CHEMBL4701429)	Inhibition of full length human CDK7/C-terminal His6-tagged human cyclin H/N-terminal GST-tagged human MAT1 expressed in baculovirus infected Sf21 insect cells
50012045	40	ChEMBL_2046732 (CHEMBL4701431)	Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presence of Km ATP
50012045	41	ChEMBL_2046733 (CHEMBL4701432)	Inhibition of CDK1 in human MCF7 cells assessed as reduction in PP1alpha phosphorylation at T320 residue incubated for 6 hrs by immunoblot analysis
50012045	42	ChEMBL_2046734 (CHEMBL4701433)	Inhibition of CDK2 in human MCF7 cells assessed as reduction in Rb phosphorylation at T821 residue incubated for 6 hrs by immunoblot analysis
50012045	43	ChEMBL_2046735 (CHEMBL4701434)	Inhibition of CDK4/6 in human MCF7 cells assessed as reduction in Rb phosphorylation at S807/811 residue incubated for 6 hrs by immunoblot analysis
50012045	44	ChEMBL_2046736 (CHEMBL4701435)	Inhibition of CDK7 in human MCF7 cells assessed as RNA polymerase2 phosphorylation at serine 5 residue residue incubated for 6 hrs by immunoblot analysis
50012045	45	ChEMBL_2046740 (CHEMBL4701439)	Displacement of Alexa Fluor 647 ADP Tracer from His-tagged human CDK9/Cyclin T1 expressed in baculovirus expression system incubated for 1 hr by adapta assay
50012045	46	ChEMBL_2046741 (CHEMBL4701440)	Displacement of Alexa Fluor 647 ADP Tracer from human CDK7/CyclinH/MAT1 expressed in baculovirus expression system incubated for 1 hr by adapta assay
50012045	47	ChEMBL_2046743 (CHEMBL4701442)	Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	48	ChEMBL_2046744 (CHEMBL4701443)	Inhibition of CDK4 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	49	ChEMBL_2046745 (CHEMBL4701444)	Inhibition of CDK6 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	50	ChEMBL_2046746 (CHEMBL4701445)	Inhibition of CDK1 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	51	ChEMBL_2046747 (CHEMBL4701446)	Inhibition of CDK2 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	52	ChEMBL_2046748 (CHEMBL4701447)	Inhibition of CDK7 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method
50012045	53	ChEMBL_2046749 (CHEMBL4701448)	Inhibition of CDK8 (unknown origin) by TR-FRET assay
50012045	54	ChEMBL_2046756 (CHEMBL4701455)	Inhibition of CDK9 in human A-431 cells assessed as reduction in RNA polymerase2 phosphorylation at ser2 residue incubated for 4 hrs by In-cell Western analysis
50012045	55	ChEMBL_2046760 (CHEMBL4701459)	Inhibition of His-tagged human CDK2 (M1 to L298 residue)/cyclin E1 (M1 to A395 residue) expressed in sf9 insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by ATP and substrate addition and measured after 25 mins by TR-FRET assay
50012045	56	ChEMBL_2046766 (CHEMBL4701465)	Inhibition of human CDK9 (1 to 372 residues)/N-terminal GST-fused His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system incubated for 0.5 to 1 hr by TR-FRET assay
50012045	57	ChEMBL_2046767 (CHEMBL4701466)	Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotinylated-cdk7tide peptide incubated for 5 hrs by Alpha Screen assay
50012045	58	ChEMBL_2046771 (CHEMBL4701470)	Inhibition of C-terminal His6-tagged human full length CDK2/cyclin A expressed in Sf21 insect cells
50012045	59	ChEMBL_2046772 (CHEMBL4701471)	Inhibition of human CDK9 (2 to 372 residues)/cyclin T1 (2 to 726 residues) expressed in baculovirus-infected Sf9 insect cell expression system
50012045	60	ChEMBL_2046773 (CHEMBL4701472)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK9 (M1 to F372 residues)/cyclin-T1 (M1 to K726 residues) expressed in baculovirus infected Sf9 insect cells in presence of gamma-33P-ATP by filter binding assay
50012045	61	ChEMBL_2046774 (CHEMBL4701473)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK4 (S4 to E303 residues)/cyclin D1 (Q4 to I295 residues) expressed in baculovirus infected Sf9 insect cells in presence of gamma-33P-ATP by filter binding assay
50012045	62	ChEMBL_2046775 (CHEMBL4701474)	Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK6 (M1 to A326 residues)/cyclin D1 (Q4 to I295 residues) expressed in baculovirus infected Sf9 insect cells in presence of gamma-33P-ATP by filter binding assay
50012045	63	ChEMBL_2046776 (CHEMBL4701475)	Binding affinity to wild-type human full length CDK7 (M1 to L344 residues) expressed in mammalian expression system by Kinomescan method
50012045	64	ChEMBL_2046777 (CHEMBL4701476)	Binding affinity to wild-type human full length CDK9 (M1 to F372 residues) expressed in bacterial expression system by Kinomescan method
50012046	1	ChEMBL_2046778 (CHEMBL4701477)	Binding affinity to at human H3 receptor
50012047	1	ChEMBL_2046788 (CHEMBL4701487)	Inhibition of SYK (unknown origin)
50012047	2	ChEMBL_2046794 (CHEMBL4701493)	Inhibition of human ERG assessed as tail current by plate-based planar patch clamp assay
50012048	1	ChEMBL_2046807 (CHEMBL4701506)	Displacement of [3H]-all-trans-retinol from biotinylated human urine derived RBP4 measured after 16 hrs by scintillation proximity assay
50012048	2	ChEMBL_2046808 (CHEMBL4701507)	Displacement of [3H]-all-trans-retinol from MBP-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as reduction in untagged Eu-labelled TTR-RBP4 interaction measured after overnight incubation by HTRF assay
50012048	3	ChEMBL_2046809 (CHEMBL4701508)	Displacement of FITC-diclofenac from human plasma derived TTR measured after overnight incubation by fluorescence polarization assay
50012048	4	ChEMBL_2046820 (CHEMBL4701519)	Inhibition of human ERG by Qpatch method
50012048	5	ChEMBL_2046821 (CHEMBL4701520)	Agonist activity at PPARgamma (unknown origin)
50012049	1	ChEMBL_2046865 (CHEMBL4701564)	Inhibition of GST-tagged CBP BRD (unknown origin) incubated for 30 mins by HTRF assay
50012049	2	ChEMBL_2046866 (CHEMBL4701565)	Inhibition of BRD4 BD1 (unknown origin) by ALPHAScreen assay
50012049	3	ChEMBL_2046867 (CHEMBL4701566)	Inhibition of CBP BRD (unknown origin) by TR-FRET assay
50012049	4	ChEMBL_2046868 (CHEMBL4701567)	Binding affinity to CBP BRD (unknown origin) by microscale thermophoresis assay
50012049	5	ChEMBL_2046869 (CHEMBL4701568)	Inhibition of BRD4 BD2 (unknown origin) by ALPHAScreen assay
50012050	1	ChEMBL_2046876 (CHEMBL4701575)	Inverse agonist activity at Gal4-fused RORgammat (unknown origin)
50012050	2	ChEMBL_2046877 (CHEMBL4701576)	Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as reduction in IL17A production incubated for 1 hr before CD3 and CD28 stimulation for 20 hrs by AlphaLISA method
50012050	3	ChEMBL_2046881 (CHEMBL4701580)	Inhibition of GAL4-fused RORalpha (unknown origin)
50012050	4	ChEMBL_2046882 (CHEMBL4701581)	Inhibition of GAL4-fused RORbeta (unknown origin)
50012050	5	ChEMBL_2046883 (CHEMBL4701582)	Inverse agonist activity at RORgammat in mouse Th17 cells
50012050	6	ChEMBL_2046884 (CHEMBL4701583)	Inverse agonist activity of PXR (unknown origin)
50012050	7	ChEMBL_2046885 (CHEMBL4701584)	Inverse agonist activity of LXRalpha (unknown origin)
50012050	8	ChEMBL_2046886 (CHEMBL4701585)	Inverse agonist activity of LXRbeta (unknown origin)
50012050	9	ChEMBL_2046889 (CHEMBL4701588)	Inhibition of recombinant CYP1A2 (unknown origin)
50012050	10	ChEMBL_2046890 (CHEMBL4701589)	Inhibition of recombinant CYP2C8 (unknown origin)
50012050	11	ChEMBL_2046891 (CHEMBL4701590)	Inhibition of recombinant CYP2C9 (unknown origin)
50012050	12	ChEMBL_2046892 (CHEMBL4701591)	Inhibition of recombinant CYP2C19 (unknown origin)
50012050	13	ChEMBL_2046893 (CHEMBL4701592)	Inhibition of recombinant CYP2D6 (unknown origin)
50012050	14	ChEMBL_2046894 (CHEMBL4701593)	Inhibition of recombinant CYP3A4 (unknown origin)
50012050	15	ChEMBL_2046899 (CHEMBL4701598)	Inhibition of human ERG by patch clamp assay
50012051	1	ChEMBL_2046939 (CHEMBL4701638)	Displacement of [3H]CP-55940 from CB1 receptor (unknown origin) by competitive binding assay
50012051	2	ChEMBL_2046940 (CHEMBL4701639)	Displacement of [3H]CP-55940 from CB2 receptor (unknown origin) by competitive binding assay
50012052	1	ChEMBL_2046971 (CHEMBL4701670)	Inhibition of human DPAGT1 expressed in HEK293 (Expi293) cells incubated for 2 hrs using UDP-GlcN-Cg-FITC and alpha-dihydroundecap-renyl phosphate by reversed-phase HPLC analysis
50012053	1	ChEMBL_2047017 (CHEMBL4701716)	Transactivation of human PXR transfected in human HepG2 cells co-transfected with CYP3A4-Luc plasmid incubated for overnight by luciferase reporter gene assay
50012054	1	ChEMBL_2047019 (CHEMBL4701718)	Negative allosteric modulation of rat mGlu7 receptor expressed in HEK cells co-expressing Galpha15 assessed as reduction in calcium mobilization incubated for 142 secs prior to glutamate addition and after 120 secs treated with L-AP4 and measured after 40 secs by Fluo-4 AM dye based fluorescence assay
50012054	2	ChEMBL_2047021 (CHEMBL4701720)	Negative allosteric modulation of mGlu4 receptor (unknown origin)
50012054	3	ChEMBL_2047022 (CHEMBL4701721)	Negative allosteric modulation of mGlu8 receptor (unknown origin)
50012055	1	ChEMBL_2047028 (CHEMBL4701727)	Modulation of gamma secretase (unknown origin) assessed as inhibition of amyloid beta (1 to 42 residues) production
50012055	2	ChEMBL_2047035 (CHEMBL4701734)	Time-dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constant by Kitz-Wilson plot analysis
50012056	1	ChEMBL_2047038 (CHEMBL4701737)	Inhibition of human partial length FLT3 ITD mutant expressed in bacterial expression system by Kinomescan method
50012056	2	ChEMBL_2047039 (CHEMBL4701738)	Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells
50012056	3	ChEMBL_2047040 (CHEMBL4701739)	Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse BaF3 cells
50012056	4	ChEMBL_2047041 (CHEMBL4701740)	Inhibition of FLT3 ITD/F691L double mutant (unknown origin) expressed in mouse BaF3 cells
50012058	1	ChEMBL_2047044 (CHEMBL4701743)	Inhibition of recombinant human full-length N-terminal His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by ADP HiLyte 647 tracer bound ADP2 antibody-Tb conjugate based HTRF assay
50012058	2	ChEMBL_2047047 (CHEMBL4701746)	Inhibition of recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system using GFP-4E-BP1 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50012058	3	ChEMBL_2047059 (CHEMBL4701758)	Inhibition of human ERG by patch-clamp assay
50012058	4	ChEMBL_2047060 (CHEMBL4701759)	Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50012058	5	ChEMBL_2047061 (CHEMBL4701760)	Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50012058	6	ChEMBL_2047062 (CHEMBL4701761)	Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50012059	1	ChEMBL_2047119 (CHEMBL4701818)	Antagonist activity at human NPBWR1 assessed as inhibition of agonist-induced cAMP accumulation by cAMP assay
50012060	1	ChEMBL_2047123 (CHEMBL4701822)	Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay
50012060	2	ChEMBL_2047144 (CHEMBL4701843)	Inhibition of human ERG
50012061	1	ChEMBL_2047156 (CHEMBL4701855)	Displacement of [3H]-DAMGO from recombinant human mu opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50012061	2	ChEMBL_2047157 (CHEMBL4701856)	Displacement of [3H]-Diprenorphine from recombinant human delta opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50012061	3	ChEMBL_2047158 (CHEMBL4701857)	Displacement of [3H]-U69593 from recombinant human kappa opioid receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50012061	4	ChEMBL_2047159 (CHEMBL4701858)	Displacement of [125I]-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter method
50012061	5	ChEMBL_2047160 (CHEMBL4701859)	Displacement of [125I]-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter method
50012061	6	ChEMBL_2047163 (CHEMBL4701862)	Agonist activity at human MOR stably expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by liquid scintillation counting assay
50012061	7	ChEMBL_2047165 (CHEMBL4701864)	Agonist activity at human MOR expressed in human U2OS cells assessed as increase in beta arrestin2 recruitment incubated for 90 mins by pathhunter beta-arrestin assay
50012061	8	ChEMBL_2047167 (CHEMBL4701866)	Agonist activity at human DOR stably expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by liquid scintillation counting assay
50012061	9	ChEMBL_2047169 (CHEMBL4701868)	Agonist activity at human KOR stably expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by liquid scintillation counting assay
50012061	10	ChEMBL_2047171 (CHEMBL4701870)	Agonist activity at human NTS1 expressed in HEK293 cells co-expressing Galphaq/RlucII/GFP10-Ggamma1/Gbeta1 assessed as increase in Galphaq activation incubated for 10 mins in presence of coelenterazine 400A by BRET assay
50012062	1	ChEMBL_2047186 (CHEMBL4701885)	Inhibition of EGFR in human KYSE-520 cells assessed as reduction in p-ERK levels
50012062	2	ChEMBL_2047188 (CHEMBL4701887)	Inhibition of RAF in human A-375 cells assessed as reduction in p-ERK levels
50012062	3	ChEMBL_2047190 (CHEMBL4701889)	Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY122 incubated for 30 mins by fluorescence based DIFMUP assay
50012062	4	ChEMBL_2047192 (CHEMBL4701891)	Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assay
50012062	5	ChEMBL_2047195 (CHEMBL4701894)	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in p-ERK levels
50012062	6	ChEMBL_2047197 (CHEMBL4701896)	Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in p-ERK levels
50012062	7	ChEMBL_2047199 (CHEMBL4701898)	Inhibition of MEK in human KYSE-520 cells assessed as reduction in p-ERK levels
50012062	8	ChEMBL_2047203 (CHEMBL4701902)	Inhibition of human ERG by Q-patch assay
50012064	1	ChEMBL_2047319 (CHEMBL4702018)	Inhibition of HDAC in human HeLa nuclear extract using fluoroscence-labeled acetylated peptide as substrate by fluorometric assay
50012064	2	ChEMBL_2047323 (CHEMBL4702022)	Inhibition of HDAC2 (unknown origin)
50012064	3	ChEMBL_2047325 (CHEMBL4702024)	Inhibition of HDAC6 (unknown origin)
50012065	1	ChEMBL_2047434 (CHEMBL4702133)	Inhibition of recombinant human C-terminal His-tagged PARP1 expressed in Sf9 insect cells preincubated for 20 mins in presence of activated DNA followed by 32P-NAD+ addition and further incubated for 2 hrs by chemiluminescence assay
50012068	1	ChEMBL_2047480 (CHEMBL4702179)	Binding affinity to wild-type human partial length ERK3 (M1 to P413 residues) expressed in bacterial expression system by kinomescan method
50012068	2	ChEMBL_2047482 (CHEMBL4702181)	Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay
50012068	3	ChEMBL_2047483 (CHEMBL4702182)	Binding affinity to LPP-dephosphorylated recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Escherichia coli by microscale thermophoresis assay
50012068	4	ChEMBL_2047485 (CHEMBL4702184)	Binding affinity to recombinant wild-type ERK3 (9 to 327 residues) (unknown origin) expressed in Sf21 insect cells by microscale thermophoresis assay
50012068	5	ChEMBL_2047486 (CHEMBL4702185)	Inhibition of recombinant His6-GST fusion tagged ERK3 (1 to 365 residues) (unknown origin) expressed in Sf21 insect cells using MK5 K51A mutant as substrate by ADP-Glo assay
50012068	6	ChEMBL_2047487 (CHEMBL4702186)	Inhibition of recombinant His6-GST fusion tagged ERK3 (1 to 471 residues) (unknown origin) expressed in Sf21 insect cells using MK5 K51A mutant as substrate by ADP-Glo assay
50012068	7	ChEMBL_2047488 (CHEMBL4702187)	Inhibition of recombinant full length His6-GST fusion tagged ERK3 (1 to 721 residues) (unknown origin) using MK5 K51A mutant as substrate by ADP-Glo assay
50012068	8	ChEMBL_2047489 (CHEMBL4702188)	Inhibition of ERK3 (unknown origin) expressed in HEK293 cells cotransfected with nano-luciferase by NanoBRET assay
50012069	1	ChEMBL_2047500 (CHEMBL4702199)	Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins prior to capsaicin addition and measured after overnight incubation by FLIPR assay
50012070	1	ChEMBL_2047507 (CHEMBL4702206)	Inhibition of MAP2K7 (unknown origin) using JNK peptide KFMMTPYVVTR incubated for 30 mins measured by multimode reader based ADP-glo assay
50012071	1	ChEMBL_2047508 (CHEMBL4702207)	Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) at 100 nM by fluorescence assay
50012071	2	ChEMBL_2047513 (CHEMBL4702212)	Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins followed by substrate addition by UV absorption spectrum analysis
50012071	3	ChEMBL_2047515 (CHEMBL4702214)	Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) at 200 nM by fluorescence assay
50012071	4	ChEMBL_2047522 (CHEMBL4702221)	Displacement of 4'-(7-Hydroxy-2-oxo-2H-chromen-3-yl)-[1,1'-biphenyl]-4-carboxylic acid from C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by probe addition and measured after 10 mins by fluorescence assay
50012071	5	ChEMBL_2047523 (CHEMBL4702222)	Binding affinity to C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) assessed as inhibition of MIF interaction with MBP-fused human CD74 preincubated for 10 mins with CD74 followed by MIF addition and measured after 30 mins by ELISA
50012072	1	ChEMBL_2047531 (CHEMBL4702230)	Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate incubated for 15 to 20 mins by Ellman's methods
50012073	1	ChEMBL_2047561 (CHEMBL4702260)	Inhibition of CES2A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50012073	2	ChEMBL_2047562 (CHEMBL4702261)	Inhibition of CES1A1 in human liver microsomes using D-luciferin methyl ester as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50012074	1	ChEMBL_2047572 (CHEMBL4702271)	Inhibition of NLRP3 in human PBMC cells assessed as inhibition of LPS and ATP-induced IL-1beta production
50012074	2	ChEMBL_2047573 (CHEMBL4702272)	Inhibition of NLRP3 in human whole blood assessed as inhibition of LPS and ATP-induced IL-1beta production
50012074	3	ChEMBL_2047575 (CHEMBL4702274)	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in nigercin-induced ASC speck formation measuring green fluorescent protein aggregation by confocal microscopy
50012077	1	ChEMBL_2048066 (CHEMBL4702765)	Inhibition of FLT3 (unknown origin) in presence of ATP
50012078	1	ChEMBL_2048083 (CHEMBL4702782)	Inhibition of N-terminal hexaHis-tagged human FPPS (6 to 353 residues) expressed in Escherichia coli using GPP and IPP as substrate by enzyme coupled assay
50012078	2	ChEMBL_2048087 (CHEMBL4702786)	Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by scintillation counting method
50012079	1	ChEMBL_2048179 (CHEMBL4702878)	Inhibition of NLRP3 inflammasome activation in LPS-primed human PMA-differentiated THP-1 cells assessed as reduction in nigericin-induced IL-1beta level preincubated for 30 mins followed by nigericin addition and measured after 1 hrs by Western blot analysis
50012080	1	ChEMBL_2048199 (CHEMBL4702898)	Agonist activity at GST-tagged human FXR LBD assessed as induction of biotinylated coactivator SRC-1 peptide recruitment measured after 2 hrs by streptavidin-conjugated AlphaScreen assay
50012080	2	ChEMBL_2048200 (CHEMBL4702899)	Agonist activity at human FXR expressed in HEK293 cells measured after 18 hrs by steady-glo luciferase reporter gene assay
50012080	3	ChEMBL_2048207 (CHEMBL4702906)	Agonist activity at human TGR5 expressed in HEK293 cells measured after 30 mins by cAMP substrate based assay
50012081	1	ChEMBL_2048294 (CHEMBL4702993)	Inhibition of papaya papain using cbzFRamc substrate preincubated for 10 mins followed by addition of substrate and measured every 30 sec for 60 mins by fluorescence based assay
50012082	1	ChEMBL_2048303 (CHEMBL4703002)	Activation of APJ receptor (unknown origin) expressed in Chem-5 cells assessed as stimulation of Ca2+ mobilization by Calcium 6-GF dye based fluorescence based assay
50012082	2	ChEMBL_2048305 (CHEMBL4703004)	Displacement of [125I]-pyr-1-apelin-13 from EGFP-tagged wild-type rat apelin receptor expressed in CHO cell membranes by gamma counting method
50012083	1	ChEMBL_2048374 (CHEMBL4703073)	Inhibition of human DHODH
50012084	1	ChEMBL_2048383 (CHEMBL4703082)	Inhibition of alpha5beta1 integrin in human SW480 cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal violet staining based analysis
50012084	2	ChEMBL_2048384 (CHEMBL4703083)	Inhibition of alphavbeta1 integrin (unknown origin) expressed in CHO cells assessed as inhibition of cell adhesion to fibronectin incubated for 60 mins by crystal violet staining based analysis
50012084	3	ChEMBL_2048385 (CHEMBL4703084)	Inhibition of alphavbeta3 integrin (unknown origin) expressed in human SW480 cells transfected with human beta3 assessed as inhibition of cell adhesion to fibrinogen incubated for 60 mins by crystal violet staining based analysis
50012084	4	ChEMBL_2048386 (CHEMBL4703085)	Inhibition of alpha5beta1 integrin (unknown origin) by solid phase binding assay
50012084	5	ChEMBL_2048387 (CHEMBL4703086)	Inhibition of alphavbeta1 integrin (unknown origin) by solid phase binding assay
50012084	6	ChEMBL_2048388 (CHEMBL4703087)	Inhibition of alphavbeta3 integrin (unknown origin) by solid phase binding assay
50012084	7	ChEMBL_2048389 (CHEMBL4703088)	Inhibition of alphavbeta5 integrin (unknown origin) by solid phase binding assay
50012084	8	ChEMBL_2048390 (CHEMBL4703089)	Inhibition of alphavbeta6 integrin (unknown origin) by solid phase binding assay
50012084	9	ChEMBL_2048391 (CHEMBL4703090)	Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay
50012084	10	ChEMBL_2048392 (CHEMBL4703091)	Inhibition of alpha4beta1 integrin (unknown origin) by solid phase binding assay
50012090	1	ChEMBL_2048398 (CHEMBL4703097)	Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometry
50012090	2	ChEMBL_2048400 (CHEMBL4703099)	Inhibition of recombinant human MPO incubated for 10 mins in presence of 240 mM NaCl and 10 uM H2O2 by aminophenyl fluorescein based assay
50012090	3	ChEMBL_2048401 (CHEMBL4703100)	Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye based assay
50012090	4	ChEMBL_2048409 (CHEMBL4703108)	Inhibition of CYP1A2 (unknown origin)
50012090	5	ChEMBL_2048410 (CHEMBL4703109)	Inhibition of CYP2B6 (unknown origin)
50012090	6	ChEMBL_2048411 (CHEMBL4703110)	Inhibition of CYP2C8 (unknown origin)
50012090	7	ChEMBL_2048412 (CHEMBL4703111)	Inhibition of CYP2D6 (unknown origin)
50012090	8	ChEMBL_2048413 (CHEMBL4703112)	Inhibition of CYP3A4 (unknown origin)
50012090	9	ChEMBL_2048419 (CHEMBL4703118)	Inhibition of recombinant human MPO incubated for 10 mins in presence of 120 mM NaCl by aminophenyl fluorescein based assay
50012090	10	ChEMBL_2048420 (CHEMBL4703119)	Inhibition of LPO (unknown origin)
50012090	11	ChEMBL_2048421 (CHEMBL4703120)	Inhibition of human EPX bromination activity using tyrosine as substrate by measuring 3-bromo tyrosine formation incubated for 10 mins
50012090	12	ChEMBL_2048422 (CHEMBL4703121)	Inhibition of TPO (unknown origin) using 3-iodo tyrosine as substrate incubated for 10 mins
50012090	13	ChEMBL_2048423 (CHEMBL4703122)	Inhibition of PMA-induced MPO in mouse Neutrophil incubated for 3 mins by luminometry
50012093	1	ChEMBL_2048439 (CHEMBL4703138)	Modulation of gamma secretase in human SH-SY5Y cells overexpressing wild type APP751 assessed as inhibition of amyloid beta (35 to 42 residues) formation incubated for overnight by ELISA
50012093	2	ChEMBL_2048442 (CHEMBL4703141)	Modulation of gamma secretase in human SH-SY5Y cells overexpressing wild type APP751 assessed as effect on amyloid beta38 level by meso scale discovery
50012093	3	ChEMBL_2048443 (CHEMBL4703142)	Modulation of gamma secretase in human SH-SY5Y cells overexpressing wild type APP751 assessed as effect on amyloid beta40 level by meso scale discovery
50012093	4	ChEMBL_2048444 (CHEMBL4703143)	Modulation of gamma secretase in human SH-SY5Y cells overexpressing wild type APP751 assessed as effect on amyloid beta42 level by meso scale discovery
50012093	5	ChEMBL_2048449 (CHEMBL4703148)	Inhibition of recombinant CYP3A4 (unknown origin) by fluorescence-based assay
50012093	6	ChEMBL_2048450 (CHEMBL4703149)	Inhibition of recombinant CYP1A2 (unknown origin) by fluorescence-based assay
50012093	7	ChEMBL_2048451 (CHEMBL4703150)	Inhibition of recombinant CYP2C9 (unknown origin) by fluorescence-based assay
50012093	8	ChEMBL_2048452 (CHEMBL4703151)	Inhibition of recombinant CYP2C19 (unknown origin) by fluorescence-based assay
50012093	9	ChEMBL_2048453 (CHEMBL4703152)	Inhibition of recombinant CYP2D6 (unknown origin) by fluorescence-based assay
50012093	10	ChEMBL_2048454 (CHEMBL4703153)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50012096	1	ChEMBL_2048504 (CHEMBL4703203)	Inhibition of recombinant human sEH expressed in baculovirus expression system assessed as reduction in ACPU binding incubated for 1 hr by FRET displacement assay
50012097	1	ChEMBL_2048512 (CHEMBL4703211)	Inhibition of recombinant Aurora A (unknown origin) using myelin basic protein as substrate incubated for 30 mins in presence or absence of DTT by [gamma-33P]-ATP based radioactive filter binding assay
50012097	2	ChEMBL_2048513 (CHEMBL4703212)	Inhibition of recombinant Aurora A (unknown origin) using myelin basic protein as substrate incubated for 30 mins in presence of DTT by [gamma-33P]-ATP based radioactive filter binding assay
50012097	3	ChEMBL_2048514 (CHEMBL4703213)	Inhibition of recombinant Aurora A (unknown origin) using myelin basic protein as substrate incubated for 30 mins in absence of DTT by [gamma-33P]-ATP based radioactive filter binding assay
50012098	1	ChEMBL_2048534 (CHEMBL4703233)	Inhibition of human AChE by Ellman's method
50012098	2	ChEMBL_2048535 (CHEMBL4703234)	Inhibition of human BChE by Ellman's method
50012098	3	ChEMBL_2048536 (CHEMBL4703235)	Inhibition of human BACE-1 by FRET assay
50012098	4	ChEMBL_2048540 (CHEMBL4703239)	Mixed type inhibition of human AChE assessed as dissociation constant using varying level acetylthiocholine iodide as substrate by Dixon plot analysis
50012098	5	ChEMBL_2048565 (CHEMBL4703264)	Inhibition of equine serum BuChE by Ellman's method
50012098	6	ChEMBL_2048566 (CHEMBL4703265)	Inhibition of BChE (unknown origin)
50012099	1	ChEMBL_2048576 (CHEMBL4703275)	Inhibition of SMYD2 (unknown origin) transfected in human U2OS cells assessed as inhibition of methylation of monomethyl p53 peptide incubated for 24 hrs by immunofluorescence assay
50012100	1	ChEMBL_2048625 (CHEMBL4703324)	Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer 236 based LanthaScreen Eu kinase binding assay relative to control
50012100	2	ChEMBL_2048627 (CHEMBL4703326)	Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cells
50012102	1	ChEMBL_2048648 (CHEMBL4703347)	Inhibition of N-terminal 6x-His tagged FGFR4 catalytic domain (445-753 residues) (unknown origin) using IYGEFKKK substrate and [gamma-32P]-ATP incubated for 30 mins by scintillation counting based paper disk assay
50012102	2	ChEMBL_2048649 (CHEMBL4703348)	Inhibition of N-terminal 6x-His tagged FGFR4 C552A mutant (unknown origin) using IYGEFKKK substrate and [gamma-32P]-ATP incubated for 30 mins by scintillation counting based paper disk assay
50012103	1	ChEMBL_2048797 (CHEMBL4703496)	Binding affinity to 5HT2B (unknown origin)
50012103	2	ChEMBL_2048798 (CHEMBL4703497)	Binding affinity to 5HT2C (unknown origin)
50012104	1	ChEMBL_2048803 (CHEMBL4703502)	Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay
50012104	2	ChEMBL_2048817 (CHEMBL4703516)	Inhibition of human topoisomerase 2alpha
50012104	3	ChEMBL_2048818 (CHEMBL4703517)	Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay
50012107	1	ChEMBL_2048836 (CHEMBL4703535)	Inhibition of LSD1 in human THP1 cells assessed as induction of cell differentiation by measuring CD11b expression incubated for 96 hrs by FACS assay
50012107	2	ChEMBL_2048837 (CHEMBL4703536)	Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay
50012107	3	ChEMBL_2048851 (CHEMBL4703550)	Inhibition of human ERG expressed in HEK293 cells by patch clamp assay
50012107	4	ChEMBL_2048853 (CHEMBL4703552)	Inhibition of LSD1 in human NCI-H69 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis
50012107	5	ChEMBL_2048854 (CHEMBL4703553)	Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis
50012107	6	ChEMBL_2048855 (CHEMBL4703554)	Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 12 days by qPCR analysis
50012108	1	ChEMBL_2048893 (CHEMBL4703592)	Binding affinity to estrogen receptor (unknown origin)
50012108	2	ChEMBL_2048895 (CHEMBL4703594)	Induction of estrogen receptor degradation in human MCF7 cells
50012108	3	ChEMBL_2048902 (CHEMBL4703601)	Inhibition of human ERG by automatic Q-patch assay
50012109	1	ChEMBL_2048912 (CHEMBL4703611)	Inhibition of human PKBalpha
50012109	2	ChEMBL_2048913 (CHEMBL4703612)	Inhibition of human PKCalpha
50012109	3	ChEMBL_2048914 (CHEMBL4703613)	Binding affinity to full length human GRK2 by Thermofluor thermal shift assay
50012109	4	ChEMBL_2048915 (CHEMBL4703614)	Inhibition of human GRK2 by transcreener assay
50012109	5	ChEMBL_2048916 (CHEMBL4703615)	Binding affinity to GRK1 (unknown origin) by Thermofluor thermal shift assay
50012109	6	ChEMBL_2048917 (CHEMBL4703616)	Binding affinity to GRK5 (unknown origin) by Thermofluor thermal shift assay
50012109	7	ChEMBL_2048919 (CHEMBL4703618)	Inhibition of human GRK1
50012109	8	ChEMBL_2048920 (CHEMBL4703619)	Inhibition of human GRK5
50012109	9	ChEMBL_2048921 (CHEMBL4703620)	Inhibition of human GRK6
50012109	10	ChEMBL_2048922 (CHEMBL4703621)	Inhibition of human GRK7
50012109	11	ChEMBL_2048924 (CHEMBL4703623)	Inhibition of human PKCbeta1
50012109	12	ChEMBL_2048925 (CHEMBL4703624)	Inhibition of human CaMK2beta
50012109	13	ChEMBL_2048926 (CHEMBL4703625)	Inhibition of human ROCK1
50012109	14	ChEMBL_2048927 (CHEMBL4703626)	Inhibition of human Aurora A
50012109	15	ChEMBL_2048928 (CHEMBL4703627)	Inhibition of RSK1 (unknown origin)
50012109	16	ChEMBL_2048944 (CHEMBL4703643)	Inhibition of human GRK2 by LANCE assay
50012111	1	ChEMBL_2048961 (CHEMBL4703660)	Binding affinity to human MDM2 assessed as dissociation constant by fluorescence polarization assay
50012111	2	ChEMBL_2048962 (CHEMBL4703661)	Binding affinity to human MDM2 assessed as dissociation constant in presence of 50 uM p53 peptide by fluorescence polarization assay
50012111	3	ChEMBL_2048963 (CHEMBL4703662)	Binding affinity to recombinant human MDM2 (25 to 111 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by fluorescence polarization assay
50012111	4	ChEMBL_2048964 (CHEMBL4703663)	Competitive binding affinity to human MDM2 assessed as displacement of p3-BPf peptide by fluorescence polarization competitive binding assay
50012111	5	ChEMBL_2048965 (CHEMBL4703664)	Competitive binding affinity to human MDM2 assessed as displacement of p1-LC4f peptide by fluorescence polarization competitive binding assay
50012112	1	ChEMBL_2048967 (CHEMBL4703666)	Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluorimetric assay
50012112	2	ChEMBL_2048968 (CHEMBL4703667)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by substrate addition by fluorimetric assay
50012113	1	ChEMBL_2048975 (CHEMBL4703674)	Inhibition of equine serum BuChE
50012113	2	ChEMBL_2048976 (CHEMBL4703675)	Inhibition of human BuChE at 10 uM
50012113	3	ChEMBL_2048977 (CHEMBL4703676)	Inhibition of electric eel AChE
50012113	4	ChEMBL_2048979 (CHEMBL4703678)	Inhibition of human recombinant AChE
50012113	5	ChEMBL_2048981 (CHEMBL4703680)	Mixed inhibition of equine serum BChE using butyrylthiocholine iodide as substrate
50012115	1	ChEMBL_2048985 (CHEMBL4703684)	Inhibition of HDAC1 (unknown origin)
50012115	2	ChEMBL_2048986 (CHEMBL4703685)	Inhibition of c-MET (unknown origin)
50012118	1	ChEMBL_2049011 (CHEMBL4703710)	Binding affinity to human recombinant FGF14 expressed in Escherichia coli BL21 assessed as dissociation constant by SPR analysis
50012118	2	ChEMBL_2049012 (CHEMBL4703711)	Binding affinity to human recombinant Nav1.6 C-terminal domain expressed in Escherichia coli BL21 assessed as dissociation constant by SPR analysis
50012119	1	ChEMBL_2049046 (CHEMBL4703745)	Inhibition of human cathepsin B
50012119	2	ChEMBL_2049048 (CHEMBL4703747)	Inhibition of human cathepsin D
50012119	3	ChEMBL_2049050 (CHEMBL4703749)	Inhibition of human leukocyte elastase
50012119	4	ChEMBL_2049054 (CHEMBL4703753)	Inhibition of human thrombin
50012119	5	ChEMBL_2049058 (CHEMBL4703757)	Inhibition of human Caspase 2
50012119	6	ChEMBL_2049060 (CHEMBL4703759)	Inhibition of HIV1 protease
50012120	1	ChEMBL_2049097 (CHEMBL4703796)	Binding affinity to human partial length TRKA expressed in mammalian expression system by kinomescan method
50012120	2	ChEMBL_2049101 (CHEMBL4703800)	Binding affinity to human partial length TRKB expressed in mammalian expression system by kinomescan method
50012121	1	ChEMBL_2049155 (CHEMBL4703854)	Antagonist activity at Vibrio fischeri luxR expressed in Escherichia coli NM522 in presence of 3-oxo-C6-HSL
50012124	1	ChEMBL_2049315 (CHEMBL4704014)	Inhibition of full-length C-terminal his-tagged human recombinant CHIT1 catalytic domain (1 to 386 residues) expressed in HEK293F cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N"-triacetylchitotrioside as substrate after 60 mins by fluorometric assay
50012124	2	ChEMBL_2049316 (CHEMBL4704015)	Inhibition of recombinant full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N',N"-triacetylchitotrioside as substrate after 60 mins by fluorometric assay
50012124	3	ChEMBL_2049318 (CHEMBL4704017)	Inhibition of full-length C-terminal his-tagged human AMCase expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N-diacetylchitobioside hydrate as substrate after 60 mins by fluorometric assay
50012124	4	ChEMBL_2049319 (CHEMBL4704018)	Inhibition of full-length C-terminal his-tagged mouse AMCase expressed in expressed in CHO-K1 cells assessed as reduction in chitinolytic activity using 4-methylumbelliferyl-beta-D-N,N'-diacetylchitobioside hydrate as substrate after 60 mins by fluorometric assay
50012124	5	ChEMBL_2049320 (CHEMBL4704019)	Inhibition of tracer red binding to human ERG expressed in HEK293 cell membranes measured after 2 to 6 hrs by fluorescence polarization assay
50012127	1	ChEMBL_2049398 (CHEMBL4704097)	Inhibition of recombinant human topoisomerase 2alpha using supercoiled pBR322 DNA as substrate incubated for 60 mins by ethidium bromide dye based agarose gel electrophoresis method
50012127	2	ChEMBL_2049401 (CHEMBL4704100)	Inhibition of recombinant wild-type human topoisomerase 2beta expressed in Saccharomyces cerevisiae using supercoiled pBR322 DNA as substrate measured after 4 mins by ethidium bromide dye based agarose gel electrophoresis method
50012127	3	ChEMBL_2049402 (CHEMBL4704101)	Inhibition of recombinant wild-type human topoisomerase 2alpha expressed in Saccharomyces cerevisiae using supercoiled pBR322 DNA as substrate measured after 4 mins by ethidium bromide dye based agarose gel electrophoresis method
50012127	4	ChEMBL_2049487 (CHEMBL4704186)	Inhibition of human COX1
50012128	1	ChEMBL_2049561 (CHEMBL4704260)	Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity
50012128	2	ChEMBL_2049562 (CHEMBL4704261)	Inhibition of human constitutive 20S proteasome beta 5 chymotrypsin-like activity
50012128	3	ChEMBL_2049572 (CHEMBL4704271)	Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity in human KARPAS-1106P cells incubated for 2 hrs by proteasome-Glo assay
50012128	4	ChEMBL_2049573 (CHEMBL4704272)	Inhibition of human 20S constitutive proteasome beta 5 chymotrypsin-like activity in human HeLa cells incubated for 2 hrs by proteasome-Glo assay
50012130	1	ChEMBL_2049582 (CHEMBL4704281)	Inhibition of PIM1 (unknown origin)
50012130	2	ChEMBL_2049583 (CHEMBL4704282)	Inhibition of PIM2 (unknown origin)
50012130	3	ChEMBL_2049587 (CHEMBL4704286)	Inhibition of human ERG by patch clamp assay
50012131	1	ChEMBL_2049685 (CHEMBL4704384)	Inhibition of human ERG by patch clamp method
50012132	1	ChEMBL_2049786 (CHEMBL4704485)	Inhibition of recombinant human MMP12 catalytic domain (Gly106 to Gly263 residues) expressed in Escherichia coli BL21 Codon Plus cells using 5-FAM/QXL520 FRET peptide as substrate preincubated for 15 mins followed by substrate addition and measured at 3 mins interval for 60 mins by fluorescence assay
50012133	1	ChEMBL_2049838 (CHEMBL4704537)	Inhibition of full length recombinant human POP expressed in Escherichia coli BL21 cells using Z-Gly-Pro-AMC as substrate measured for 5 mins
50012134	1	ChEMBL_2049841 (CHEMBL4704540)	Inhibition of GST-tagged recombinant PDGFRbeta (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	2	ChEMBL_2049842 (CHEMBL4704541)	Inhibition of GST-tagged recombinant HER2 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	3	ChEMBL_2049843 (CHEMBL4704542)	Inhibition of GST-tagged recombinant HER1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	4	ChEMBL_2049844 (CHEMBL4704543)	Inhibition of GST-tagged recombinant INSR (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	5	ChEMBL_2049845 (CHEMBL4704544)	Inhibition of GST-tagged recombinant FGFR1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	6	ChEMBL_2049846 (CHEMBL4704545)	Inhibition of GST-tagged recombinant IGFR1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	7	ChEMBL_2049847 (CHEMBL4704546)	Inhibition of GST-tagged recombinant FAK (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay
50012134	8	ChEMBL_2049848 (CHEMBL4704547)	Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate measured after 1 hr by ADP-glo luminescence assay
50012134	9	ChEMBL_2049849 (CHEMBL4704548)	Covalent inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate preincubated for 2 to 60 mins followed by substrate addition and measured after 1 hr by ADP-glo luminescence assay
50012136	1	ChEMBL_2049889 (CHEMBL4704588)	Inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence based assay
50012136	2	ChEMBL_2049890 (CHEMBL4704589)	Covalent inhibition of human Notum (S81-T451 residues) C330S mutant expressed in HEK293S cells using OPTS substrate incubated for 40 mins by fluorescence based assay
50012136	3	ChEMBL_2049900 (CHEMBL4704599)	Inhibition of NOTUM in human HEK293S cells harbouring TCF/LEF luciferase reporter gene assessed as activation wnt signalling pathway incubated for 10 mins followed by wnt-3A addition further incubated for 1 hr by steady-glo luciferase assay relative to control
50012136	4	ChEMBL_2049920 (CHEMBL4704619)	Inhibition of CYP1A2 (unknown origin)
50012136	5	ChEMBL_2049921 (CHEMBL4704620)	Inhibition of CYP2C9 (unknown origin)
50012136	6	ChEMBL_2049922 (CHEMBL4704621)	Inhibition of CYP2C19 (unknown origin)
50012136	7	ChEMBL_2049923 (CHEMBL4704622)	Inhibition of CYP2D6 (unknown origin)
50012136	8	ChEMBL_2049924 (CHEMBL4704623)	Inhibition of CYP3A4 (unknown origin)
50012137	1	ChEMBL_2049926 (CHEMBL4704625)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 20 mins
50012137	2	ChEMBL_2049928 (CHEMBL4704627)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 20 mins in presence of 0% HSA
50012137	3	ChEMBL_2049929 (CHEMBL4704628)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 20 mins in presence of 4.4% HSA
50012137	4	ChEMBL_2049940 (CHEMBL4704639)	Agonist activity at human CCK-1R expressed in HEK293 cells assessed as stimulation of ERK phosphorylation incubated for 5 mins
50012137	5	ChEMBL_2049941 (CHEMBL4704640)	Agonist activity at human CCK-2R expressed in HEK293 cells assessed as stimulation of ERK phosphorylation incubated for 5 mins
50012138	1	ChEMBL_2050013 (CHEMBL4704712)	Agonist activity at human FFA4 receptor expressed in CHO-K1 cells assessed as increase in amplitude of dynamic mass redistribution response by DMR assay
50012138	2	ChEMBL_2050015 (CHEMBL4704714)	Agonist activity at human FFA1 receptor expressed in CHO-K1 cells assessed as increase in dynamic mass redistribution response by DMR assay
50012138	3	ChEMBL_2050026 (CHEMBL4704725)	Agonist activity at human FFA1 expressed in HEK293 cells assessed as stimulation of intracellular calcium mobilization measured at 2 secs time interval for 90 secs by Calcium-3 dye based FLIPR assay
50012138	4	ChEMBL_2050027 (CHEMBL4704726)	Agonist activity at human FFA4 expressed in HEK293 cells assessed as stimulation of intracellular calcium mobilization measured at every 1 secs for 60 secs by Calcium-3 dye based FLIPR assay
50012139	1	ChEMBL_2050069 (CHEMBL4704768)	Inhibition of HER2 (unknown origin) by ELISA
50012141	1	ChEMBL_2050084 (CHEMBL4704783)	Displacement of [3H]-PDBu from PKCalpha C1A domain in CD-1 mouse brain cytosol
50012141	2	ChEMBL_2050085 (CHEMBL4704784)	Displacement of [3H]-PDBu from PKCdelta C1B domain in CD-1 mouse brain cytosol
50012142	1	ChEMBL_2050089 (CHEMBL4704788)	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human Hep3B cells co-transfected with luciferase reporter plasmid containing six copies of HREs and pRL-CMV vector assessed as reduction in luciferase activity incubated for 24 hrs under hypoxic condition by HRE-dependent dual luciferase reporter gene assay
50012143	1	ChEMBL_2050095 (CHEMBL4704794)	Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50012143	2	ChEMBL_2050096 (CHEMBL4704795)	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50012143	3	ChEMBL_2050097 (CHEMBL4704796)	Inhibition of recombinant human HDAC8 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50012144	1	ChEMBL_2050167 (CHEMBL4704866)	Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye based spectrofluorimetric method
50012144	2	ChEMBL_2050168 (CHEMBL4704867)	Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by capsaicin addition by Fluo-4-AM dye based spectrofluorimetric method
50012147	1	ChEMBL_2050170 (CHEMBL4704869)	Inhibition of human erythrocytes AChE by Ellman's method
50012147	2	ChEMBL_2050174 (CHEMBL4704873)	Inhibition of human serum BuChe by Ellman's method
50012147	3	ChEMBL_2050175 (CHEMBL4704874)	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 48 hrs by thioflavin-T fluorescence method
50012147	4	ChEMBL_2050183 (CHEMBL4704882)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's method
50012148	1	ChEMBL_2050184 (CHEMBL4704883)	Binding affinity to human recombinant MDM2 (1 to 150 residue) expressed in Escherichia coli using presence of FITC-labelled compound by fluorescence polarization assay
50012148	2	ChEMBL_2050185 (CHEMBL4704884)	Binding affinity to MDMX (unknown origin) by using FITC-labeled compound by fluorescence polarization assay
50012149	1	ChEMBL_2050195 (CHEMBL4704894)	Agonist activity at GAL4-tagged PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as induction of receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50012149	2	ChEMBL_2050198 (CHEMBL4704897)	Agonist activity at GAL4-tagged PPARalpha-LBD (unknown origin) expressed in HEK293 cells assessed as induction of receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50012149	3	ChEMBL_2050206 (CHEMBL4704905)	Binding affinity to PPARg (unknown origin) by SPR assay
50012149	4	ChEMBL_2050207 (CHEMBL4704906)	Binding affinity to PPARa (unknown origin) by SPR assay
50012149	5	ChEMBL_2050210 (CHEMBL4704909)	Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of NCoR incubated for 16 hrs by luciferase reporter gene based mammalian two hybrid assay
50012149	6	ChEMBL_2050211 (CHEMBL4704910)	Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as displacement of SMRT incubated for 16 hrs by luciferase reporter gene based mammalian two hybrid assay
50012149	7	ChEMBL_2050212 (CHEMBL4704911)	Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as recruitment of TIF2 incubated for 16 hrs by luciferase reporter gene based mammalian two hybrid assay
50012149	8	ChEMBL_2050213 (CHEMBL4704912)	Agonist activity at PPARg-LBD (unknown origin) expressed in HEK293 cells assessed as recruitment of MED1 incubated for 16 hrs by luciferase reporter gene based mammalian two hybrid assay
50012150	1	ChEMBL_2050262 (CHEMBL4704961)	Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated for 10 mins by fluorescence polarization assay
50012152	1	ChEMBL_2050300 (CHEMBL4704999)	Displacement of TAMRA-HAKTYMWDGWYMPTSH-NH2 from Naja kaouthia alpha-cobratoxin by fluorescence polarization assay
50012153	1	ChEMBL_2050315 (CHEMBL4705014)	Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using PEA as substrate in presence of 100 uM AdoMet as co-substrate by Sigma-plot analysis
50012153	2	ChEMBL_2050317 (CHEMBL4705016)	Displacement of [3H]-clonidine from Sprague-Dawley rat alpha2 adrenergic receptor by radioligand binding assay
50012155	1	ChEMBL_2050376 (CHEMBL4705075)	Inhibition of ALR2 (unknown origin)
50012155	2	ChEMBL_2050377 (CHEMBL4705076)	Inhibition of Trypanosoma brucei rhodesiense rhodesain using fluorogenic substrate Z-Phe-Arg-aminomethylcoumarin as substrate by fluorescence assay
50012156	1	ChEMBL_2050381 (CHEMBL4705080)	Displacement of fluorescent ligand from Pseudomonas aeruginosa LpxC measured after 30 mins by fluorescence anisotrophy assay
50012156	2	ChEMBL_2050396 (CHEMBL4705095)	Inhibition of human AchE expressed in HEK293 cells using acetylthiocholine as substrate by Ellman's method
50012157	1	ChEMBL_2050405 (CHEMBL4705104)	Inhibition of recombinant human GST-tagged PIM1 by ELISA
50012158	1	ChEMBL_2050524 (CHEMBL4705223)	Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium based FRET assay
50012159	1	ChEMBL_2050539 (CHEMBL4705238)	Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 60 mins by beta-galactosidase based scintillation counting method
50012159	2	ChEMBL_2050540 (CHEMBL4705239)	Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins by scintillation counting assay
50012159	3	ChEMBL_2050542 (CHEMBL4705241)	Agonist activity at EA-fragment beta-arrestin-tagged human MOR expressed in human U2OS cell membranes assessed as stimulation beta-arrestin recruitment after 60 mins by Pathhunter chemiluminescence assay
50012159	4	ChEMBL_2050543 (CHEMBL4705242)	Agonist activity at EA-fragment beta-arrestin-tagged human DOR expressed in human U2OS cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 60 mins by beta-galactosidase based scintillation counting method
50012159	5	ChEMBL_2050544 (CHEMBL4705243)	Agonist activity at EA-fragment beta-arrestin-tagged human DOR expressed in human U2OS cell membranes assessed as stimulation beta-arrestin recruitment after 60 mins by Pathhunter chemiluminescence assay
50012161	1	ChEMBL_2050578 (CHEMBL4705277)	Inhibition of N-terminal GFP tagged mouse DOCK5 expressed in HEK293T cells assessed as reduction in exchange activity incubated for 1 hr by Western blot analysis based Rac-GTP pull-down assay
50012161	2	ChEMBL_2050584 (CHEMBL4705283)	Inhibition of N-terminal GFP tagged human DOCK5 (1212-1642 residues) expressed in HEK293T cells assessed as reduction in exchange activity incubated for 1 hr by Western blot analysis based Rac-GTP pull-down assay
50012162	1	ChEMBL_2050703 (CHEMBL4705402)	Inhibition of PI3Kdelta in human Raji cells assessed as reduction in anti-IgM stimulated AKT T308 phosphorylation incubated for 1 hr by Western blot analysis
50012162	2	ChEMBL_2050709 (CHEMBL4705408)	Inhibition of human PI3Kdelta using substrate PIP2:PS and ATP incubated for 1 hr by ADP-Glo assay
50012162	3	ChEMBL_2050721 (CHEMBL4705420)	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp assay
50012162	4	ChEMBL_2050737 (CHEMBL4705436)	Inhibition of CYP1A2 (unknown origin) incubated for 20 to 30 mins by P450-Glo assay
50012162	5	ChEMBL_2050738 (CHEMBL4705437)	Inhibition of CYP2B6 (unknown origin) incubated for 20 to 30 mins by P450-Glo assay
50012162	6	ChEMBL_2050739 (CHEMBL4705438)	Inhibition of CYP2C9 (unknown origin) incubated for 20 to 30 mins by P450-Glo assay
50012162	7	ChEMBL_2050740 (CHEMBL4705439)	Inhibition of CYP2C19 (unknown origin) incubated for 20 to 30 mins by P450-Glo assay
50012162	8	ChEMBL_2050741 (CHEMBL4705440)	Inhibition of CYP3A4 (unknown origin) incubated for 20 to 30 mins by P450-Glo assay
50012163	1	ChEMBL_2050770 (CHEMBL4705469)	Inhibition of N-terminal GST tagged wild-type human ALK cytoplasmic domain (1058-1620 amino acids) expressed Sf9 cells pre-incubated for 30 mins before addition of Ulight-CKKSRGDYMTMQIG substrate and measured after 90 mins by fluorescence based assay
50012163	2	ChEMBL_2050808 (CHEMBL4705507)	Inhibition of human ALK G1269A mutant expressed Sf9 cells pre-incubated for 30 mins before addition of Ulight-CKKSRGDYMTMQIG substrate and measured after 90 mins by fluorescence based assay
50012163	3	ChEMBL_2050809 (CHEMBL4705508)	Inhibition of human ALK L1196M mutant expressed Sf9 cells pre-incubated for 30 mins before addition of Ulight-CKKSRGDYMTMQIG substrate and measured after 90 mins by fluorescence based assay
50012163	4	ChEMBL_2050810 (CHEMBL4705509)	Inhibition of human ALK S1206Y mutant expressed Sf9 cells pre-incubated for 30 mins before addition of Ulight-CKKSRGDYMTMQIG substrate and measured after 90 mins by fluorescence based assay
50012163	5	ChEMBL_2050819 (CHEMBL4705518)	Inhibition of human ALK
50012163	6	ChEMBL_2050820 (CHEMBL4705519)	Inhibition of human ALK C1156Y mutant
50012163	7	ChEMBL_2050821 (CHEMBL4705520)	Inhibition of human ALK L1196M mutant
50012163	8	ChEMBL_2050822 (CHEMBL4705521)	Inhibition of human CLK1
50012163	9	ChEMBL_2050823 (CHEMBL4705522)	Inhibition of human DAPK1
50012163	10	ChEMBL_2050824 (CHEMBL4705523)	Inhibition of human DAPK2
50012163	11	ChEMBL_2050825 (CHEMBL4705524)	Inhibition of human DAPK3
50012163	12	ChEMBL_2050826 (CHEMBL4705525)	Inhibition of human FAK
50012163	13	ChEMBL_2050827 (CHEMBL4705526)	Inhibition of human IGF1R
50012163	14	ChEMBL_2050828 (CHEMBL4705527)	Inhibition of human INSR
50012163	15	ChEMBL_2050829 (CHEMBL4705528)	Inhibition of human INSRR
50012163	16	ChEMBL_2050830 (CHEMBL4705529)	Inhibition of human LTK
50012163	17	ChEMBL_2050831 (CHEMBL4705530)	Inhibition of human MERTK
50012163	18	ChEMBL_2050832 (CHEMBL4705531)	Inhibition of human ROS1
50012163	19	ChEMBL_2050836 (CHEMBL4705535)	Inhibition of human GAK
50012165	1	ChEMBL_2050872 (CHEMBL4705571)	Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated for 4 days by XTT assay
50012165	2	ChEMBL_2050874 (CHEMBL4705573)	Inhibition of F protein D486N mutant in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated for 4 days by XTT assay
50012169	1	ChEMBL_2050878 (CHEMBL4705577)	Antagonist activity at rat alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential incubated for 5 mins by voltage-clamp assay
50012169	2	ChEMBL_2050879 (CHEMBL4705578)	Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential incubated for 5 mins by voltage-clamp assay
50012170	1	ChEMBL_2050942 (CHEMBL4705641)	Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract after 30 mins using FAM-labelled compound by fluorescence polarization assay
50012170	2	ChEMBL_2050943 (CHEMBL4705642)	Binding affinity to human full-length N-terminal His6-tagged prephosphorylated Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract after 30 mins using FAM-labelled compound by fluorescence polarization assay
50012170	3	ChEMBL_2050946 (CHEMBL4705645)	Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titration calorimetry
50012170	4	ChEMBL_2050947 (CHEMBL4705646)	Binding affinity to human full-length N-terminal His6-tagged prephosphorylated Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titration calorimetry
50012170	5	ChEMBL_2050950 (CHEMBL4705649)	Inhibition of FAM-Bim peptide binding to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract measured after 30 mins by fluorescence polarization assay
50012170	6	ChEMBL_2050952 (CHEMBL4705651)	Inhibition of FAM-Bim peptide binding to Bcl-xl (unknown origin) measured after 30 mins by fluorescence polarization assay
50012170	7	ChEMBL_2050953 (CHEMBL4705652)	Inhibition of FAM-Bim peptide binding to MCl1 (unknown origin) measured after 30 mins by fluorescence polarization assay
50012171	1	ChEMBL_2050975 (CHEMBL4705674)	Agonist activity at human GPR52 expressed in HEK293 cells assessed as increase in cAMP levels incubated for 15 mins by Glosensor cAMP assay
50012171	2	ChEMBL_2051035 (CHEMBL4705734)	Binding affinity to 5-HT2C (unknown origin) assessed as inhibition of ligand binding
50012172	1	ChEMBL_2051062 (CHEMBL4705761)	Antagonist activity at human TRPV4 expressed in BHK or HEK MSR2 cells assessed as inhibition of TRPV4 agonist GSK634775 (EC80)-induced response incubated for 10 mins
50012173	1	ChEMBL_2051139 (CHEMBL4705838)	Agonist activity at GPR88 (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by TR-FRET assay
50012173	2	ChEMBL_2051142 (CHEMBL4705841)	Agonist activity at GPR88 in mouse striatal membrane assessed as [35S]-GTPgammaS-binding by liquid scintillation counting
50012174	1	ChEMBL_2051201 (CHEMBL4705900)	Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry
50012174	2	ChEMBL_2051202 (CHEMBL4705901)	Inhibition of human recombinant MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry
50012174	3	ChEMBL_2051203 (CHEMBL4705902)	Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry
50012174	4	ChEMBL_2051204 (CHEMBL4705903)	Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry
50012174	5	ChEMBL_2051205 (CHEMBL4705904)	Inhibition of human recombinant MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry
50012175	1	ChEMBL_2051210 (CHEMBL4705909)	Inhibition of recombinant human MAO-A expressed in Sf9 cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition for 60 mins by Luminex assay
50012175	2	ChEMBL_2051211 (CHEMBL4705910)	Inhibition of recombinant human MAO-B expressed in Sf9 cells using benzylamine as substrate preincubated for 15 mins followed by substrate addition for 60 mins by Luminex assay
50012176	1	ChEMBL_2051223 (CHEMBL4705922)	Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg^Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50012176	2	ChEMBL_2051224 (CHEMBL4705923)	Inhibition of MALT1 in PMA-stimulated human Jurkat T cells assessed as reduction in IL2 level pretreated for 30 mins followed by PMA-stimulation measured after 5.5 hr by human IL-2 promoter driven bioluminescence assay
50012176	3	ChEMBL_2051225 (CHEMBL4705924)	Inhibition of MALT1 in human whole blood assessed as reduction in PMA//anti-CD28 antibody-induced IL2 level pre-incubated for 1 hrs before stimulation with PMA//anti-CD28 antibody by MSD assay
50012176	4	ChEMBL_2051237 (CHEMBL4705936)	Inhibition of CYP3A4 (unknown origin)
50012176	5	ChEMBL_2051238 (CHEMBL4705937)	Inhibition of CYP2C9 (unknown origin)
50012176	6	ChEMBL_2051239 (CHEMBL4705938)	Inhibition of CYP2D6 (unknown origin)
50012176	7	ChEMBL_2051261 (CHEMBL4705960)	Inhibition of MALT1 in human OCILY3 cells by NF-kappaB reporter gene assay
50012176	8	ChEMBL_2051262 (CHEMBL4705961)	Inhibition of MALT1 in human OCILY3 cells assessed as reduction in BCL10 cleavage by MSD assay
50012176	9	ChEMBL_2051264 (CHEMBL4705963)	Inhibition of caspase-3 (unknown origin)
50012176	10	ChEMBL_2051265 (CHEMBL4705964)	Inhibition of cathepsin B (unknown origin)
50012176	11	ChEMBL_2051266 (CHEMBL4705965)	Inhibition of cathepsin C (unknown origin)
50012176	12	ChEMBL_2051267 (CHEMBL4705966)	Inhibition of cathepsin K (unknown origin)
50012176	13	ChEMBL_2051268 (CHEMBL4705967)	Inhibition of cathepsin L (unknown origin)
50012176	14	ChEMBL_2051269 (CHEMBL4705968)	Inhibition of cathepsin S (unknown origin)
50012176	15	ChEMBL_2051270 (CHEMBL4705969)	Inhibition of human ERG by dofetilide binding assay
50012177	1	ChEMBL_2051296 (CHEMBL4705995)	Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay
50012178	1	ChEMBL_2051300 (CHEMBL4705999)	Binding affinity to NSD3 PWWP1 domain (263 to 398 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by SPR method
50012178	2	ChEMBL_2051301 (CHEMBL4706000)	Binding affinity to human KRAS G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21(DE3) by HSQC NMR spectroscopy
50012178	3	ChEMBL_2051302 (CHEMBL4706001)	Binding affinity to human GCP-KRAS G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay
50012178	4	ChEMBL_2051303 (CHEMBL4706002)	Binding affinity to human TNF measured after 6 mins by surface plasmon resonance
50012178	5	ChEMBL_2051304 (CHEMBL4706003)	Binding affinity to human TNF measured after 2 hrs by surface plasmon resonance
50012180	1	ChEMBL_2051307 (CHEMBL4706006)	Displacement of [3H]-(+)-pentazocine from human sigma1 receptor expressed in HEK293 cell membranes incubated for 120 mins by liquid scintillation counting method
50012180	2	ChEMBL_2051310 (CHEMBL4706009)	Inhibition of human ERG expressed in CHO cells by patch clamp assay
50012180	3	ChEMBL_2051315 (CHEMBL4706014)	Inhibition of CYP1A2 in human liver microsomes
50012180	4	ChEMBL_2051316 (CHEMBL4706015)	Inhibition of CYP2C9 in human liver microsomes
50012180	5	ChEMBL_2051317 (CHEMBL4706016)	Inhibition of CYP2C19 in human liver microsomes
50012180	6	ChEMBL_2051318 (CHEMBL4706017)	Inhibition of CYP2D6 in human liver microsomes
50012180	7	ChEMBL_2051319 (CHEMBL4706018)	Inhibition of CYP3A4 in human liver microsomes
50012182	1	ChEMBL_2051337 (CHEMBL4706036)	Inhibition of DDR1 (unknown origin) using fluorescein-poly GAT as substrate measured after 1 hr by LANCE ULTRA kinase assay
50012183	1	ChEMBL_2051342 (CHEMBL4706041)	Inhibition of PD-1/PDL1 (unknown origin) measured after 2 hrs by HTRF assay
50012183	2	ChEMBL_2051370 (CHEMBL4706069)	Binding affinity to human PD-L1 by isothermal titration calorimetric analysis
50012183	3	ChEMBL_2051371 (CHEMBL4706070)	Binding affinity to mouse PD-L1 by isothermal titration calorimetric analysis
50012183	4	ChEMBL_2051372 (CHEMBL4706071)	Binding affinity to human PD-L1 by surface plasmon resonance
50012183	5	ChEMBL_2051373 (CHEMBL4706072)	Binding affinity to mouse PD-L1 by surface plasmon resonance
50012185	1	ChEMBL_2051448 (CHEMBL4706147)	Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012185	2	ChEMBL_2051450 (CHEMBL4706149)	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012185	3	ChEMBL_2051452 (CHEMBL4706151)	Agonist activity at delta opioid receptor (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012185	4	ChEMBL_2051454 (CHEMBL4706153)	Agonist activity at NPFFR1 (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012185	5	ChEMBL_2051456 (CHEMBL4706155)	Agonist activity at NPFFR2 (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012186	1	ChEMBL_2051500 (CHEMBL4706199)	Inhibition of Cathepsin D (unknown origin)
50012186	2	ChEMBL_2051501 (CHEMBL4706200)	Inhibition of human liver Cathepsin D using (Ac-Glu-Glu(Edans)-Lys-Pro-Ile-Cys-Phe-PheArg-Leu-Gly-Lys(Dabcyl)-Glu-NH2) peptide as substrate by fluorometric analysis
50012186	3	ChEMBL_2051502 (CHEMBL4706201)	Inhibition of human liver Cathepsin D using N-succinyl-R-P-F-L-L-V-Y-7-amido-4-methylcoumarin peptide as substrate preincubated for 10 mins followed by substrate addition and further incubated for 45 mins by Cyto-fluor fluorescence analysis
50012186	4	ChEMBL_2051503 (CHEMBL4706202)	Inhibition of human liver Cathepsin D preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs in dark by fluorimetric analysis
50012187	1	ChEMBL_2051523 (CHEMBL4706222)	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	2	ChEMBL_2051524 (CHEMBL4706223)	Inhibition of PDE1B (146-506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	3	ChEMBL_2051525 (CHEMBL4706224)	Inhibition of PDE2A (518-919 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	4	ChEMBL_2051526 (CHEMBL4706225)	Inhibition of PDE3A (679-1087 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	5	ChEMBL_2051527 (CHEMBL4706226)	Inhibition of PDE4D2 (86-413 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	6	ChEMBL_2051529 (CHEMBL4706228)	Inhibition of PDE7A1 (130-482 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	7	ChEMBL_2051530 (CHEMBL4706229)	Inhibition of PDE9A2 (181-506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	8	ChEMBL_2051531 (CHEMBL4706230)	Inhibition of PDE10A (449-770 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	9	ChEMBL_2051532 (CHEMBL4706231)	Inhibition of PDE11A (588-911 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP substrate incubated for 15 mins by liquid scintillation counting method
50012187	10	ChEMBL_2051557 (CHEMBL4706256)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH
50012187	11	ChEMBL_2051558 (CHEMBL4706257)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH
50012187	12	ChEMBL_2051559 (CHEMBL4706258)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH
50012187	13	ChEMBL_2051560 (CHEMBL4706259)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH
50012187	14	ChEMBL_2051561 (CHEMBL4706260)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH
50012187	15	ChEMBL_2051562 (CHEMBL4706261)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50012190	1	ChEMBL_2051617 (CHEMBL4706316)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50012190	2	ChEMBL_2051618 (CHEMBL4706317)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50012190	3	ChEMBL_2051619 (CHEMBL4706318)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50012190	4	ChEMBL_2051620 (CHEMBL4706319)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50012190	5	ChEMBL_2051621 (CHEMBL4706320)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50012190	6	ChEMBL_2051623 (CHEMBL4706322)	Inhibition of human ERG by patch-clamp assay
50012194	1	ChEMBL_2051631 (CHEMBL4706330)	Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-ANSRWPTSII-OH probe by fluorescence polarization based competition assay
50012194	2	ChEMBL_2051632 (CHEMBL4706331)	Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr using FAM-22 probe by fluorescence polarization based competition assay
50012194	3	ChEMBL_2051635 (CHEMBL4706334)	Binding affinity to C-terminal His6 tagged CAL PDZ domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based competition assay
50012194	4	ChEMBL_2051636 (CHEMBL4706335)	Binding affinity to NHERF1 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based competition assay
50012194	5	ChEMBL_2051637 (CHEMBL4706336)	Binding affinity to NHERF2 PDZ1 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based competition assay
50012194	6	ChEMBL_2051638 (CHEMBL4706337)	Binding affinity to NHERF2 PDZ2 domain (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by fluorescence polarization based competition assay
50012195	1	ChEMBL_2051656 (CHEMBL4706355)	Antagonist activity at CXCR7 (unknown origin) expressed in CHO-K1 cells co-expressing beta-arrestin assessed as reduction in compound-1 induced response pre-incubated for 15 mins before compound-1 addition
50012195	2	ChEMBL_2051657 (CHEMBL4706356)	Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 24 hrs
50012195	3	ChEMBL_2051658 (CHEMBL4706357)	Inhibition of human ERG expressed in CHO cells at -40 mV holding potential by Q-patch clamp assay
50012195	4	ChEMBL_2051669 (CHEMBL4706368)	Inhibition of CYP2C9 in human liver microsomes using diclofenac substrate by LC-MS/MS analysis
50012195	5	ChEMBL_2051670 (CHEMBL4706369)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan substrate by LC-MS/MS analysis
50012195	6	ChEMBL_2051671 (CHEMBL4706370)	Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS analysis
50012195	7	ChEMBL_2051672 (CHEMBL4706371)	Inhibition of CYP3A4 in human liver microsomes using midazolam substrate by LC-MS/MS analysis
50012195	8	ChEMBL_2051673 (CHEMBL4706372)	Binding affinity to SNAP-tag fused human CXCR7 expressed in HEK293 cells by HTRF assay
50012195	9	ChEMBL_2051678 (CHEMBL4706377)	Antagonist activity at dog CXCR7 expressed in CHO-K1 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs
50012195	10	ChEMBL_2051679 (CHEMBL4706378)	Antagonist activity at rat CXCR7 expressed in HEK293 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs
50012195	11	ChEMBL_2051680 (CHEMBL4706379)	Antagonist activity at mouse CXCR7 expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs
50012195	12	ChEMBL_2051683 (CHEMBL4706382)	Antagonist activity CXCR4 in human MOLT-4 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response pre-incubated for 20 mins before CXCL12 addition by FLIPR assay
50012195	13	ChEMBL_2051686 (CHEMBL4706385)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 4.11 nM CXCL11 level
50012195	14	ChEMBL_2051687 (CHEMBL4706386)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 12.3 nM CXCL11 level
50012195	15	ChEMBL_2051688 (CHEMBL4706387)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 37 nM CXCL11 level
50012195	16	ChEMBL_2051689 (CHEMBL4706388)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 111 nM CXCL11 level
50012195	17	ChEMBL_2051690 (CHEMBL4706389)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 333 nM CXCL11 level
50012195	18	ChEMBL_2051691 (CHEMBL4706390)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1 uM CXCL11 level
50012195	19	ChEMBL_2051692 (CHEMBL4706391)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 4.11 nM CXCL12 level
50012195	20	ChEMBL_2051693 (CHEMBL4706392)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 12.3 nM CXCL12 level
50012195	21	ChEMBL_2051694 (CHEMBL4706393)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 37 nM CXCL12 level
50012195	22	ChEMBL_2051695 (CHEMBL4706394)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 111 nM CXCL12 level
50012195	23	ChEMBL_2051696 (CHEMBL4706395)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 333 nM CXCL12 level
50012195	24	ChEMBL_2051697 (CHEMBL4706396)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1 uM CXCL12 level
50012195	25	ChEMBL_2051735 (CHEMBL4706434)	Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1.97 nM CXCL12 level
50012196	1	ChEMBL_2051736 (CHEMBL4706435)	Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in CHO cell membranes measured after 60 mins by gamma counter analysis
50012196	2	ChEMBL_2051740 (CHEMBL4706439)	Binding affinity to PPAR-gamma (unknown origin) by TR-FRET assay
50012196	3	ChEMBL_2051742 (CHEMBL4706441)	Binding affinity to PPAR-delta (unknown origin) by TR-FRET assay
50012196	4	ChEMBL_2051751 (CHEMBL4706450)	Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay
50012196	5	ChEMBL_2051752 (CHEMBL4706451)	Agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide fluorescein-TRAP220/DRIP by TR-FRET assay
50012199	1	ChEMBL_2051775 (CHEMBL4706776)	Inhibition of CYP2C19 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012199	2	ChEMBL_2051776 (CHEMBL4706777)	Inhibition of CYP2C9 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012199	3	ChEMBL_2051781 (CHEMBL4706782)	Inhibition of N-terminal His6-tagged human DHODH expressed in Escherichia coli BL21 using L-DHO as substrate and CoQ as co-substrate by DCIP dye based spectrophotometric assay
50012199	4	ChEMBL_2051783 (CHEMBL4706784)	Inhibition of N-terminal His6-tagged rat DHODH expressed in Escherichia coli BL21 expressed in Escherichia coli BL21 using L-DHO as substrate and CoQ as co-substrate by DCIP dye based spectrophotometric assay
50012199	5	ChEMBL_2051784 (CHEMBL4706785)	Inhibition of N-terminal His6-tagged mouse DHODH expressed in Escherichia coli BL21 using L-DHO as substrate and CoQ as co-substrate by DCIP dye based spectrophotometric assay
50012199	6	ChEMBL_2051795 (CHEMBL4706796)	Inhibition of human ERG by patch clamp electrophysiology assay
50012199	7	ChEMBL_2051799 (CHEMBL4706800)	Inhibition of CYP1A2 in human liver microsomes using isoform-specific probe substrate in presence of NADPH-generating system by LC-MS analysis
50012199	8	ChEMBL_2051800 (CHEMBL4706801)	Inhibition of CYP2B6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012199	9	ChEMBL_2051801 (CHEMBL4706802)	Inhibition of CYP2C8 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012199	10	ChEMBL_2051802 (CHEMBL4706803)	Inhibition of CYP2D6 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012199	11	ChEMBL_2051803 (CHEMBL4706804)	Inhibition of CYP3A4 in human liver microsomes using isoform-specific probe substrates in presence of NADPH-generating system by LC-MS analysis
50012202	1	ChEMBL_2051920 (CHEMBL4706921)	Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper microfluidic assay
50012202	2	ChEMBL_2051921 (CHEMBL4706922)	Inhibition of CHK2 (unknown origin) using Biotin-KKKVSRSGLYRSPSMPENLNRPR peptide as substrate incubated for 30 mins in presence of ATP by dissociation-enhanced lanthanide fluorescent immunoassay
50012202	3	ChEMBL_2051922 (CHEMBL4706923)	Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-induced G2 checkpoint arrest by ELISA
50012202	4	ChEMBL_2051937 (CHEMBL4706938)	Inhibition of CDK1 (unknown origin)
50012202	5	ChEMBL_2051938 (CHEMBL4706939)	Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by radioligand binding assay
50012202	6	ChEMBL_2051940 (CHEMBL4706941)	Inhibition of CYP1A2 (unknown origin)
50012202	7	ChEMBL_2051941 (CHEMBL4706942)	Inhibition of CYP2A6 (unknown origin)
50012202	8	ChEMBL_2051942 (CHEMBL4706943)	Inhibition of CYP2C9 (unknown origin)
50012202	9	ChEMBL_2051943 (CHEMBL4706944)	Inhibition of CYP2C19 (unknown origin)
50012202	10	ChEMBL_2051944 (CHEMBL4706945)	Inhibition of CYP2D6 (unknown origin)
50012202	11	ChEMBL_2051945 (CHEMBL4706946)	Inhibition of CYP3A4 (unknown origin)
50012202	12	ChEMBL_2051984 (CHEMBL4706985)	Inhibition of human Kv1.5
50012202	13	ChEMBL_2051985 (CHEMBL4706986)	Inhibition of human Nav1.5
50012202	14	ChEMBL_2051986 (CHEMBL4706987)	Inhibition of human L-type calcium channel Cav1.2
50012202	15	ChEMBL_2051989 (CHEMBL4706990)	Inhibition of human Kir2.1
50012202	16	ChEMBL_2051992 (CHEMBL4706993)	Inhibition of human Kv4.3
50012202	17	ChEMBL_2051993 (CHEMBL4706994)	Inhibition of human KCNQ1
50012202	18	ChEMBL_2051994 (CHEMBL4706995)	Inhibition of human HCN4
50012203	1	ChEMBL_2051997 (CHEMBL4706998)	Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assay
50012203	2	ChEMBL_2052002 (CHEMBL4707003)	Displacement of FITC-geldanamycin from N-terminal GRP94 (unknown origin) after 30 mins by fluorescence polarization competitive binding assay
50012204	1	ChEMBL_2052095 (CHEMBL4707096)	Inhibition of recombinant human topoisomerase 2 assessed as decrease in relaxation of supercoiled pBlue-Script KS(+) plasmid DNA incubated for 30 mins by ethidium bromide staining based gel electrophoresis method
50012208	1	ChEMBL_2052177 (CHEMBL4707178)	Inhibition of human PI3Kdelta incubated for 1 hr by ADP-Glo kinase assay
50012208	2	ChEMBL_2052178 (CHEMBL4707179)	Inhibition of HDAC1 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate measured after 2 hrs by fluorescence based assay
50012208	3	ChEMBL_2052179 (CHEMBL4707180)	Inhibition of human full-length recombinant p110alpha/p85alpha co-expressed in baculovirus expression system using PIP2:PS lipid as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50012208	4	ChEMBL_2052183 (CHEMBL4707184)	Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured after 30 mins by fluorescence based assay
50012208	5	ChEMBL_2052184 (CHEMBL4707185)	Inhibition of HDAC2 (unknown origin) using fluorogenic HDAC substrate 3 incubated for 30 mins by fluorescence based assay
50012208	6	ChEMBL_2052185 (CHEMBL4707186)	Inhibition of recombinant human C-terminal His-tagged HDAC3 (1 to 428 end residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured after 30 mins by fluorescence based assay
50012208	7	ChEMBL_2052186 (CHEMBL4707187)	Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 (627 to 1084 end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	8	ChEMBL_2052187 (CHEMBL4707188)	Inhibition of HDAC5 (unknown origin) using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	9	ChEMBL_2052188 (CHEMBL4707189)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured after 30 mins by fluorescence based assay
50012208	10	ChEMBL_2052189 (CHEMBL4707190)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	11	ChEMBL_2052190 (CHEMBL4707191)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	12	ChEMBL_2052191 (CHEMBL4707192)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	13	ChEMBL_2052192 (CHEMBL4707193)	Inhibition of N-terminal FLAG-tagged human HDAC10 (2 to 631 residues) expressed in baculovirus infected Sf9 cells using fluorogenic HDAC substrate 3 measured after 30 mins by fluorescence based assay
50012208	14	ChEMBL_2052193 (CHEMBL4707194)	Inhibition of human full length HDAC11 expressed in baculovirus infected Sf9 cells using fluorogenic HDAC class2a as substrate measured after 30 mins by fluorescence based assay
50012208	15	ChEMBL_2052194 (CHEMBL4707195)	Inhibition of human PI3Kalpha incubated for 1 hr by ADP-Glo kinase assay
50012208	16	ChEMBL_2052195 (CHEMBL4707196)	Inhibition of human PI3Kbeta incubated for 1 hr by ADP-Glo kinase assay
50012208	17	ChEMBL_2052199 (CHEMBL4707200)	Inhibition of human PI3Kgamma incubated for 1 hr by ADP-Glo kinase assay
50012208	18	ChEMBL_2052200 (CHEMBL4707201)	Inhibition of human mTOR
50012208	19	ChEMBL_2052201 (CHEMBL4707202)	Inhibition of human PI3K2alpha incubated for 1 hr by ADP-Glo kinase assay
50012208	20	ChEMBL_2052202 (CHEMBL4707203)	Inhibition of PI3K2beta (unknown origin) incubated for 1 hr by ADP-Glo kinase assay
50012208	21	ChEMBL_2052203 (CHEMBL4707204)	Inhibition of human DNA-PK
50012208	22	ChEMBL_2052204 (CHEMBL4707205)	Inhibition of human PIK3C3 incubated for 1 hr by ADP-Glo kinase assay
50012208	23	ChEMBL_2052222 (CHEMBL4707223)	Inhibition of human PI4kbeta incubated for 1 hr by ADP-Glo kinase assay
50012208	24	ChEMBL_2052264 (CHEMBL4707265)	Inhibition of HDAC6 in human MCF7 cells assessed as increase in acetylated alpha-tubulin at Lys40 residue incubated for 3 hrs by ELISA
50012208	25	ChEMBL_2052279 (CHEMBL4707280)	Inhibition of human ERG by fluorescence polarization assay
50012208	26	ChEMBL_2052280 (CHEMBL4707281)	Inhibition of CYP3A4 in human liver microsomes in presence of IPA as substrate
50012208	27	ChEMBL_2052343 (CHEMBL4707344)	Inhibition of human wild type partial length PI3Kalpha (R108 to N1068 residues) expressed in mammalian expression system by Kinomescan method
50012208	28	ChEMBL_2052345 (CHEMBL4707346)	Inhibition of human wild type partial length PI3Kgamma (S144 to A1102 residues) expressed in mammalian expression system by Kinomescan method
50012208	29	ChEMBL_2052346 (CHEMBL4707347)	Inhibition of human wild type partial length PI3Kdelta (R108 to Q1044 residues) expressed in mammalian expression system by Kinomescan method
50012208	30	ChEMBL_2052349 (CHEMBL4707350)	Inhibition of PI3K2beta (unknown origin)
50012213	1	ChEMBL_2052365 (CHEMBL4707366)	Displacement of [3H]-methylspiperone from recombinant human D2 receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 scintillation counting method
50012213	2	ChEMBL_2052366 (CHEMBL4707367)	Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor stably expressed in CHO-K1 cell membranes measured after 60 mins by microbeta2 scintillation counting method
50012213	3	ChEMBL_2052367 (CHEMBL4707368)	Displacement of [3H]-prazosin from alpha1 adrenergic receptor in rat cortex measured after 30 mins by microbeta2 scintillation counting method
50012213	4	ChEMBL_2052438 (CHEMBL4707439)	Inhibition of human recombinant CYP3A4
50012213	5	ChEMBL_2052440 (CHEMBL4707441)	Inhibition of human recombinant CYP2D6
50012213	6	ChEMBL_2052446 (CHEMBL4707447)	Biased agonist activity at human recombinant 5-HT1A receptor stably expressed in CHO-K1 cells assessed as increase in ERK1/2 phosphorylation levels incubated for 15 mins by Alphalisa assay
50012213	7	ChEMBL_2052448 (CHEMBL4707449)	Biased agonist activity at human recombinant 5-HT1A receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation after 40 mins by LANCE Ultra cAMP kit-based TR-FRET assay
50012213	8	ChEMBL_2052450 (CHEMBL4707451)	Biased agonist activity at Gal4-VP16 transcription factor linked human 5-HT1A receptor expressed in human U2OS cells assessed as stimulation of beta-arrestin recruitment measured after 5 hrs by Tango assay
50012213	9	ChEMBL_2052452 (CHEMBL4707453)	Biased agonist activity at human recombinant 5-HT1A receptor stably expressed in CHO-K1 cells assessed as increase in calcium mobilization measured at 2 sec intervals for 180 secs by Fluo-4AM dye based fluorescence assay
50012214	1	ChEMBL_2052491 (CHEMBL4707492)	Inhibition of p38alpha MAPK (unknown origin) assessed as residual activity
50012215	1	ChEMBL_2052492 (CHEMBL4707493)	Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 45 mins under shaking condition followed by substrate addition and measured after 45 mins by fluorescence assay
50012215	2	ChEMBL_2052493 (CHEMBL4707494)	Inhibition of human ATX using FS-3 as substrate measured after 30 mins by fluorescence plate reader assay
50012216	1	ChEMBL_2052512 (CHEMBL4707513)	Inhibition of human ERG stably expressed in CHO cells after 4 mins
50012216	2	ChEMBL_2052523 (CHEMBL4707524)	Antagonist activity at CXCR1 (unknown origin) stably expressed in HEK293 cells assessed as reduction in IL-8-induced intracellular calcium change incubated for 15 mins followed by IL-8-stimulation and measured after 15 mins by cAMP-d2/Eu-Anti-cAM based fluorescence assay
50012216	3	ChEMBL_2052524 (CHEMBL4707525)	Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced calcium signal incubated for 20 mins by FLIPR assay
50012216	4	ChEMBL_2052531 (CHEMBL4707532)	Antagonist activity at CXCR4 in human HPBALL cells assessed as inhibition of APC-conjugate clone 12G5 antibody signal incubated for 3 hrs by flow cytometric analysis
50012217	1	ChEMBL_2052532 (CHEMBL4707533)	Inhibition of Bacillus cereus PC-phospholipase C using phosphoryl-choline as substrate by molybdenum blue dye based assay
50012217	2	ChEMBL_2052533 (CHEMBL4707534)	Inhibition of Bacillus cereus phospholipase C using L-alpha-phosphatidylcholine as substrate by Lineweaver-Burk plot analysis
50012217	3	ChEMBL_2052534 (CHEMBL4707535)	Inhibition of Bacillus cereus phospholipase C by amplex red assay
50012217	4	ChEMBL_2052536 (CHEMBL4707537)	Inhibition of recombinant Bacillus cereus N-terminal His6-tagged full length PC-PLC 3C Protease cleavage site expressed in Escherichia coli BL21(DE3) cells using phosphatidylcholine as substrate by amplex red assay relative to control
50012217	5	ChEMBL_2052537 (CHEMBL4707538)	Binding affinity to Bacillus cereus N-terminal His6-tagged full length PC-PLC 3C Protease cleavage site expressed in Escherichia coli BL21(DE3) cells using 3,3-dimethylglutaratic acid as substrate by intrinsic fluorescence assay
50012224	1	ChEMBL_2052539 (CHEMBL4707540)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50012224	2	ChEMBL_2052540 (CHEMBL4707541)	Inhibition of rat serum BChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50012224	3	ChEMBL_2052542 (CHEMBL4707543)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50012224	4	ChEMBL_2052543 (CHEMBL4707544)	Inhibition of human serum BChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method
50012225	1	ChEMBL_2052738 (CHEMBL4707739)	Inhibition of wild type N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus infected Sf21 cells using biotin-labeled TK substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration and further incubated for 20 mins by HTRF assay
50012225	2	ChEMBL_2052739 (CHEMBL4707740)	Inhibition of human EGFR cytoplasmic domain L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf21 cells using biotin-labeled TK substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration and further incubated for 40 mins by HTRF assay
50012226	1	ChEMBL_2052859 (CHEMBL4707860)	Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of europium-labeled co-activator SRC1 recruitment incubated for 1 hr by FRET assay
50012226	2	ChEMBL_2052861 (CHEMBL4707862)	Agonist activity at APC-labeled RORgammat LBD (unknown origin) incubated for 1 hr in presence of europium-labeled co-activator SRC1 by FRET assay
50012226	3	ChEMBL_2052863 (CHEMBL4707864)	Inverse agonist activity at RORgammat in mouse CD4+ T cells assessed as inhibition of differentiation into Th17 cells by measuring IL-17 production by flow cytometry
50012227	1	ChEMBL_2052890 (CHEMBL4707891)	Inhibition of recombinant human LSD1 (157 to 852 residues) expressed in Escherichia coli BL21 (DE) cells using H3K4me2 substrate incubated for 30 mins by amplex red assay
50012228	1	ChEMBL_2053025 (CHEMBL4708026)	Inhibition of ALDH1A1 (unknown origin) assessed as NADH formation using propionaldehyde as substrate
50012228	2	ChEMBL_2053026 (CHEMBL4708027)	Inhibition of ALDH2 (unknown origin) assessed as NADH formation using acetaldehyde as substrate
50012228	3	ChEMBL_2053027 (CHEMBL4708028)	Inhibition of ALDH3A1 (unknown origin) assessed as NADH formation using 4-nitrobenzaldehyde as substrate
50012229	1	ChEMBL_2053125 (CHEMBL4708126)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of substrate and measured after 20 mins by DTNB reagent based Ellman's method
50012229	2	ChEMBL_2053129 (CHEMBL4708130)	Mixed inhibition of equine serum BChE using butyrylthiolcholine iodide as substrate by Lineweaver-Burk plot analysis
50012229	3	ChEMBL_2053138 (CHEMBL4708139)	Inhibition of recombinant electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of substrate and measured after 20 mins by DTNB reagent based Ellman's method
50012230	1	ChEMBL_2053149 (CHEMBL4708150)	Inhibition of Akt-1 (unknown origin)
50012230	2	ChEMBL_2053150 (CHEMBL4708151)	Inhibition of Akt-2 (unknown origin)
50012230	3	ChEMBL_2053151 (CHEMBL4708152)	Inhibition of Akt-3 (unknown origin)
50012231	1	ChEMBL_2053167 (CHEMBL4708168)	Inhibition of recombinant full length human HDAC3 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	2	ChEMBL_2053168 (CHEMBL4708169)	Inhibition of recombinant full length human HDAC6 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	3	ChEMBL_2053169 (CHEMBL4708170)	Inhibition of recombinant full length human HDAC8 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	4	ChEMBL_2053170 (CHEMBL4708171)	Inhibition of recombinant full length human HDAC11 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	5	ChEMBL_2053171 (CHEMBL4708172)	Inhibition of recombinant full length human HDAC1 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	6	ChEMBL_2053172 (CHEMBL4708173)	Inhibition of recombinant full length human HDAC2 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	7	ChEMBL_2053173 (CHEMBL4708174)	Inhibition of recombinant full length human HDAC4 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	8	ChEMBL_2053174 (CHEMBL4708175)	Inhibition of recombinant full length human HDAC5 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	9	ChEMBL_2053175 (CHEMBL4708176)	Inhibition of recombinant full length human HDAC7 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	10	ChEMBL_2053176 (CHEMBL4708177)	Inhibition of recombinant full length human HDAC9 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	11	ChEMBL_2053177 (CHEMBL4708178)	Inhibition of recombinant full length human HDAC10 expressed in SF9 baculovirus using FAM- labelled acetylated peptide as substrate measured by Electrophoretic mobility shift assay
50012231	12	ChEMBL_2053179 (CHEMBL4708180)	Inhibition of N-terminal 6 His-SUMO tagged Zebrafish HDAC6 CD2 domain expressed in Escherichia coli BL21(DE3) RILP pretreated for 10 mins before FITC-M344 addition and measured after 10 mins by fluorescence polarization competition assay
50012231	13	ChEMBL_2053183 (CHEMBL4708184)	Inhibition of HDAC6 in human HeLa cells assessed by deacetylation measured after 15 mins by ELISA
50012231	14	ChEMBL_2053221 (CHEMBL4708222)	Inhibition of HDAC6 (unknown origin)
50012233	1	ChEMBL_2053312 (CHEMBL4708313)	Inhibition of CYP3A4 (unknown origin) in baculosomes preincubated for 20 mins followed by addition of CYP enzyme-specific substrate and NADP+ and measured after 30 mins by fluorescence based analysis
50012233	2	ChEMBL_2053313 (CHEMBL4708314)	Inhibition of CYP2D6 (unknown origin) in baculosomes preincubated for 20 mins followed by addition of CYP enzyme-specific substrate and NADP+ and measured after 30 mins by fluorescence based analysis
50012234	1	ChEMBL_2053433 (CHEMBL4708434)	Inhibition of ABCG2 (unknown origin) in HEK293 cells assessed as maximal inhibition of mitoxantrone efflux by fluorescence based flow cytometry
50012236	1	ChEMBL_2053441 (CHEMBL4708442)	Displacement of [3H]-CCPA from human A1 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
50012236	2	ChEMBL_2053442 (CHEMBL4708443)	Displacement of [3H]-NECA from human A2A receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
50012236	3	ChEMBL_2053443 (CHEMBL4708444)	Displacement of [3H]-HEMADO from human A3 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
50012236	4	ChEMBL_2053444 (CHEMBL4708445)	Inhibition of human CA1 incubated for 15 mins by stopped- flow CO2 hydrase assay method
50012236	5	ChEMBL_2053445 (CHEMBL4708446)	Inhibition of human CA2 incubated for 15 mins by stopped- flow CO2 hydrase assay method
50012236	6	ChEMBL_2053446 (CHEMBL4708447)	Inhibition of human CA9 incubated for 15 mins by stopped- flow CO2 hydrase assay method
50012236	7	ChEMBL_2053447 (CHEMBL4708448)	Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method
50012236	8	ChEMBL_2053448 (CHEMBL4708449)	Antagonist activity at human A2B receptor expressed in CHO cell membrane assessed as reduction in NECA-stimulated AMP level by GloSensor CAMP assay
50012236	9	ChEMBL_2053449 (CHEMBL4708450)	Antagonist activity at human A2A receptor expressed in CHO cell membrane assessed as reduction in NECA-stimulated AMP level by GloSensor CAMP assay
50012237	1	ChEMBL_2053474 (CHEMBL4708475)	Inhibition of recombinant human 5-LO expressed in Escherichia coli BL21(DE3) assessed as reduction in LTB4 and 5-H(P)ETE formation using arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 10 mins by RP-HPLC method
50012237	2	ChEMBL_2053476 (CHEMBL4708477)	Inhibition of 5-LO in human PMNL cells assessed as reduction in LTB4, 5-H(P)ETE, 12-HETE and 15-HETE products formation using arachidonic acid as substrate preincubated for 10 mins followed by addition of substrate and measured after 10 mins by RP-HPLC method
50012238	1	ChEMBL_2053482 (CHEMBL4708483)	Inhibition of IDH2 R140Q mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincubated with enzyme for 15 mins followed by substrate addition by fluorescence based assay
50012238	2	ChEMBL_2053483 (CHEMBL4708484)	Inhibition of IDH2 R172K mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-ketoglutarate and NADPH as substrate preincubated with enzyme for 15 mins followed by substrate addition by fluorescence based assay
50012238	3	ChEMBL_2053484 (CHEMBL4708485)	Inhibition of wild type IDH2 (unknown origin) assessed as reduction in NADPH production using sodium(D)-isocitrate and NADP as substrate preincubated with enzyme for 15 mins followed by substrate addition by fluorescence based assay
50012239	1	ChEMBL_2053521 (CHEMBL4708522)	Inhibition of wild type EGFR (unknown origin) using FAM-labelled peptide as substrate incubated for 10 mins in presence of ATP measured by mobility shift assay
50012240	1	ChEMBL_2053689 (CHEMBL4708690)	Inhibition of LDHA (unknown origin) in presence of NADH and sodium pyruvate measured after 10 mins by enzymatic assay
50012241	1	ChEMBL_2053694 (CHEMBL4708695)	Inhibition of recombinant human Prolyl oligopeptidase expressed in Escherichia coli expression system using (Z)-Gly-Pro-p-nitroanilide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured for 30 mins by spectrophotometric analysis
50012241	2	ChEMBL_2053696 (CHEMBL4708697)	Inhibition of recombinant human acetylcholinesterase using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method
50012241	3	ChEMBL_2053697 (CHEMBL4708698)	Inhibition of human butyrylcholinesterase in plasma using butyrylthiocholineiodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured at 2 mins interval by Ellman's method
50012241	4	ChEMBL_2053698 (CHEMBL4708699)	Noncompetitive inhibition of human acetylcholinesterase assessed as affinity towards free enzyme using acetylthiocholine iodide as substrate measured by Ellman's method based Lineweaver-Burk plot analysis
50012241	5	ChEMBL_2053699 (CHEMBL4708700)	Mixed inhibition of human butyrylcholinesterase assessed as affinity towards free enzyme using butyrylthiocholine iodide as substrate measured by Ellman's method based Lineweaver-Burk plot analysis
50012241	6	ChEMBL_2053700 (CHEMBL4708701)	Mixed inhibition of human butyrylcholinesterase assessed as affinity towards enzyme-substrate complex using butyrylthiocholine iodide as substrate measured by Ellman's method based Lineweaver-Burk plot analysis
50012241	7	ChEMBL_2053706 (CHEMBL4708707)	Inhibition of recombinant human His-tagged Prolyl oligopeptidase expressed in Escherichia coli expression system preincubated with enzyme for 15 mins followed by addition of ZGP-AMC substrate measured after 1 hr by fluorescence assay
50012242	1	ChEMBL_2053731 (CHEMBL4708732)	Agonist activity at human mGlu2 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	2	ChEMBL_2053732 (CHEMBL4708733)	Agonist activity at human mGlu3 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	3	ChEMBL_2053733 (CHEMBL4708734)	Agonist activity at rat mGlu2 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	4	ChEMBL_2053734 (CHEMBL4708735)	Agonist activity at rat mGlu3 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	5	ChEMBL_2053736 (CHEMBL4708737)	Agonist activity at human mGlu3 receptor expressed in CHO cell membranes by GTPgammaS binding assay relative to control
50012242	6	ChEMBL_2053739 (CHEMBL4708740)	Antagonist activity at human mGlu2 receptor expressed in CHO cell membranes in presence of glutamate by GTPgammaS binding assay
50012242	7	ChEMBL_2053740 (CHEMBL4708741)	Antagonist activity at human mGlu3 receptor expressed in CHO cell membranes in presence of glutamate by GTPgammaS binding assay
50012242	8	ChEMBL_2053743 (CHEMBL4708744)	Agonist activity at human mGlu4 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	9	ChEMBL_2053744 (CHEMBL4708745)	Agonist activity at human mGlu1 receptor expressed in CHO cell membranes by intracellular Ca2+ assay
50012242	10	ChEMBL_2053745 (CHEMBL4708746)	Agonist activity at human mGlu6 receptor expressed in HEK293T cell membranes by GTPgammaS binding assay
50012242	11	ChEMBL_2053746 (CHEMBL4708747)	Agonist activity at human mGlu8 receptor expressed in CHO cell membranes by GTPgammaS binding assay
50012242	12	ChEMBL_2053747 (CHEMBL4708748)	Antagonist activity at human mGlu1 receptor expressed in CHO cell membranes in presence of glutamate by intracellular Ca2+ assay
50012242	13	ChEMBL_2053748 (CHEMBL4708749)	Antagonist activity at human mGlu4 receptor expressed in CHO cell membranes in presence of glutamate by GTPgammaS binding assay
50012242	14	ChEMBL_2053749 (CHEMBL4708750)	Antagonist activity at human mGlu6 receptor expressed in HEK293T cell membranes in presence of glutamate by GTPgammaS binding assay
50012242	15	ChEMBL_2053750 (CHEMBL4708751)	Antagonist activity at human mGlu8 receptor expressed in CHO cell membranes in presence of glutamate by GTPgammaS binding assay
50012243	1	ChEMBL_2053890 (CHEMBL4708891)	Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based assay
50012243	2	ChEMBL_2053920 (CHEMBL4708921)	Covalent inhibition of FBPase WT (unknown origin) measured 15 to 45 mins by UV-visible spectrometry analysis
50012243	3	ChEMBL_2053921 (CHEMBL4708922)	Covalent inhibition of FBPase C38S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	4	ChEMBL_2053922 (CHEMBL4708923)	Covalent inhibition of FBPase C92S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	5	ChEMBL_2053923 (CHEMBL4708924)	Covalent inhibition of FBPase C116S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	6	ChEMBL_2053924 (CHEMBL4708925)	Covalent inhibition of FBPase C128S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	7	ChEMBL_2053925 (CHEMBL4708926)	Covalent inhibition of FBPase C179S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	8	ChEMBL_2053926 (CHEMBL4708927)	Covalent inhibition of FBPase C281S mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	9	ChEMBL_2053927 (CHEMBL4708928)	Covalent inhibition of FBPase S124A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	10	ChEMBL_2053928 (CHEMBL4708929)	Covalent inhibition of FBPase N125A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	11	ChEMBL_2053929 (CHEMBL4708930)	Covalent inhibition of FBPase D127A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	12	ChEMBL_2053930 (CHEMBL4708931)	Covalent inhibition of FBPase R243A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	13	ChEMBL_2053931 (CHEMBL4708932)	Covalent inhibition of FBPase R254A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	14	ChEMBL_2053932 (CHEMBL4708933)	Covalent inhibition of FBPase Y258A mutant (unknown origin) measured upto 45 mins by UV-visible spectrometry analysis
50012243	15	ChEMBL_2053951 (CHEMBL4708952)	Covalent inhibition of FBPase WT (unknown origin) measured for 45 mins by UV-visible spectrometry analysis
50012244	1	ChEMBL_2053953 (CHEMBL4708954)	Inhibition of recombinant human SIRT1 (193 to 741 residues) expressed in Escherichia coli expression system using RHKK(Ac)W-NH2 as substrate measured after 2 hrs by HPLC method
50012244	2	ChEMBL_2053954 (CHEMBL4708955)	Inhibition of recombinant human SIRT2 expressed in baculovirus infected SF9 cells expression system using RHKK(Ac)W-NH2 as substrate measured after 20 mins by HPLC method
50012245	1	ChEMBL_2053966 (CHEMBL4708967)	Antagonist activity at D2 receptor (unknown origin) preincubated for 60 mins followed by addition of Eu-cAMP and measured after 60 mins by plate reader method
50012245	2	ChEMBL_2053967 (CHEMBL4708968)	Antagonist activity at 5-HT2A receptor (unknown origin) assessed as decrease in intracellular calcium flux preincubated with calcium followed by compound challenge and measured after 10 mins by FLIPR method
50012245	3	ChEMBL_2053968 (CHEMBL4708969)	Agonist activity at 5-HT1A receptor (unknown origin) preincubated for 60 mins followed by addition of Eu-cAMP and measured after 60 mins by plate reader method
50012246	1	ChEMBL_2053979 (CHEMBL4708980)	Inhibition of human DNA topoisomerase 2alpha assessed as suppression of decatenation using catenated kinetoplast DNA as substrate measured after 30 mins by SYBR safe DNA staining based staining-based agarose gel electrophoresis method
50012248	1	ChEMBL_2054028 (CHEMBL4709029)	Inhibition of human recombinant PDE4A using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis
50012248	2	ChEMBL_2054030 (CHEMBL4709031)	Inhibition of human recombinant PDE4D3 using FAM-cAMP as substrate measured after 1 hr by IMAP TR-FRET assay
50012248	3	ChEMBL_2054035 (CHEMBL4709036)	Inhibition of human recombinant PDE4B using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis
50012248	4	ChEMBL_2054036 (CHEMBL4709037)	Inhibition of human recombinant PDE4C using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis
50012248	5	ChEMBL_2054037 (CHEMBL4709038)	Inhibition of human recombinant PDE4D using [3H]cAMP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 15 mins by SPA bead based scintillation counting analysis
50012248	6	ChEMBL_2054038 (CHEMBL4709039)	Inhibition of PDE4A (unknown origin)
50012248	7	ChEMBL_2054039 (CHEMBL4709040)	Inhibition of PDE4B (unknown origin)
50012248	8	ChEMBL_2054040 (CHEMBL4709041)	Inhibition of PDE4C (unknown origin)
50012248	9	ChEMBL_2054041 (CHEMBL4709042)	Inhibition of PDE4D (unknown origin)
50012248	10	ChEMBL_2054042 (CHEMBL4709043)	Inhibition of human recombinant PDE4B1 using FAM-cAMP as substrate measured after 1 hr by IMAP TR-FRET assay
50012248	11	ChEMBL_2054043 (CHEMBL4709044)	Inhibition of human recombinant PDE4C using FAM-cAMP as substrate measured after 1 hr by IMAP TR-FRET assay
50012249	1	ChEMBL_2054070 (CHEMBL4709071)	Inhibition of eEF2K (unknown origin)
50012250	1	ChEMBL_2054089 (CHEMBL4709090)	Inhibition of c-Met (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay relative to control
50012250	2	ChEMBL_2054090 (CHEMBL4709091)	Inhibition of Ron (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50012250	3	ChEMBL_2054108 (CHEMBL4709109)	Inhibition of c-Met (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50012250	4	ChEMBL_2054109 (CHEMBL4709110)	Inhibition of c-Kit (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50012250	5	ChEMBL_2054110 (CHEMBL4709111)	Inhibition of AXL (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50012250	6	ChEMBL_2054111 (CHEMBL4709112)	Inhibition of PDGFR alpha (unknown origin) by mobility shift assay
50012250	7	ChEMBL_2054112 (CHEMBL4709113)	Inhibition of c-Src (unknown origin) using FAM-labelled peptide and ATP incubated for 10 mins by mobility shift assay
50012250	8	ChEMBL_2054113 (CHEMBL4709114)	Inhibition of IGF1R (unknown origin) by mobility shift assay
50012250	9	ChEMBL_2054114 (CHEMBL4709115)	Inhibition of B-Raf (unknown origin) by mobility shift assay
50012254	1	ChEMBL_2054160 (CHEMBL4709161)	Inhibition of human His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells using 6-FAM-5'CAGCGCTCGG(20T)CCGAGCGCTG-3'-dabcyl measured for 12 mins by fluorescence incision assay
50012254	2	ChEMBL_2054161 (CHEMBL4709162)	Binding affinity to His-tagged human ERCC1-XPF expressed in Escherichia coli BL21 (DE3) cells by steady-state fluorescence assay
50012255	1	ChEMBL_2054174 (CHEMBL4709175)	Inhibition of ovine COX-1 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012255	2	ChEMBL_2054175 (CHEMBL4709176)	Inhibition of human recombinant COX-2 assessed as reduction in PGE2 level using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012255	3	ChEMBL_2054177 (CHEMBL4709178)	Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 800 uM arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 10 mins by ELISA
50012255	4	ChEMBL_2054182 (CHEMBL4709183)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 50 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012255	5	ChEMBL_2054183 (CHEMBL4709184)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 250 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012255	6	ChEMBL_2054184 (CHEMBL4709185)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 level using 1250 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012255	7	ChEMBL_2054185 (CHEMBL4709186)	Inhibition of human recombinant 5-LOX assessed as reduction in LTB4 level using 5 to 80 uM arachidonic acid as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 10 mins by ELISA
50012256	1	ChEMBL_2054189 (CHEMBL4709190)	Inhibition of human C-terminal Flag tagged HDAC1 (1 to 482 residues) expressed in SF9 cells using Ac-peptide substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by microplate reader method
50012256	2	ChEMBL_2054190 (CHEMBL4709191)	Inhibition of c-MET(unknown origin) using FAM labelled peptide substrate preincubated for 10 mins followed by substrate addition and measured by microplate reader method
50012259	1	ChEMBL_2054236 (CHEMBL4709237)	Binding affinity to ERRgamma (unknown origin) by TR-FRET assay
50012259	2	ChEMBL_2054238 (CHEMBL4709239)	Binding affinity to ERRalpha (unknown origin) by TR-FRET assay
50012259	3	ChEMBL_2054239 (CHEMBL4709240)	Binding affinity to ERRbeta (unknown origin) by TR-FRET assay
50012259	4	ChEMBL_2054240 (CHEMBL4709241)	Binding affinity to ERalpha (unknown origin) by TR-FRET assay
50012259	5	ChEMBL_2054254 (CHEMBL4709255)	Inhibition of human ERG by fluorescence polarization assay
50012259	6	ChEMBL_2054269 (CHEMBL4709270)	Inhibition of human ERG current
50012259	7	ChEMBL_2054280 (CHEMBL4709281)	Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay
50012260	1	ChEMBL_2054401 (CHEMBL4709402)	Binding affinity to recombinant FGF1 (unknown origin) transformed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by fluorescence spectrophotometry based Stern-Volmer method
50012261	1	ChEMBL_2054467 (CHEMBL4709468)	Inhibition of full length recombinant human N-terminal GST/His6-tagged PAK1 expressed in sf9 insect cells using tetra LRRWSLG as substrate preincubated for 20 min followed by [gamma33P]ATP addition and measured after 120 mins by Hotspot assay
50012261	2	ChEMBL_2054468 (CHEMBL4709469)	Inhibition of full length recombinant human N-terminal GST/His6-tagged PAK4 expressed in baculovirus infected sf9 insect cells using tetra LRRWSLG as substrate preincubated for 20 min followed by [gamma33P]ATP addition and measured after 120 mins by Hotspot assay
50012261	3	ChEMBL_2054470 (CHEMBL4709471)	Inhibition of human ERG
50012261	4	ChEMBL_2054506 (CHEMBL4709507)	Inhibition of PAK1 (unknown origin)
50012261	5	ChEMBL_2054507 (CHEMBL4709508)	Inhibition of PAK4 (unknown origin)
50012262	1	ChEMBL_2054537 (CHEMBL4709538)	Inhibition of integrin alphavbeta1 (unknown origin) by fluorescence polarization assay
50012262	2	ChEMBL_2054538 (CHEMBL4709539)	Inhibition of integrin alphavbeta3 (unknown origin) by fluorescence polarization assay
50012262	3	ChEMBL_2054539 (CHEMBL4709540)	Inhibition of integrin alphavbeta5 (unknown origin) by fluorescence polarization assay
50012262	4	ChEMBL_2054540 (CHEMBL4709541)	Inhibition of integrin alphavbeta6 (unknown origin) by fluorescence polarization assay
50012262	5	ChEMBL_2054541 (CHEMBL4709542)	Inhibition of integrin alphavbeta8 (unknown origin) by fluorescence polarization assay
50012262	6	ChEMBL_2054542 (CHEMBL4709543)	Inhibition of human alphavbeta3 integrin stably expressed in human K562 cells assessed as inhibition of cell adhesion to GST-LAP1 incubated for 30 mins by BCECF-AM staining based fluorescence assay
50012262	7	ChEMBL_2054544 (CHEMBL4709545)	Inhibition of human alphavbeta5 integrin stably expressed in human K562 cells assessed as inhibition of cell adhesion to vitronectin incubated for 30 mins by BCECF-AM staining based fluorescence assay
50012263	1	ChEMBL_2054557 (CHEMBL4709558)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction
50012263	2	ChEMBL_2054564 (CHEMBL4709565)	Binding affinity to purified Keap1 Kelch domain (unknown origin) by isothermal titration calorimetry
50012263	3	ChEMBL_2054565 (CHEMBL4709566)	Binding affinity to biotinylated-Keap1 Kelch domain (unknown origin) by biolayer interferometry
50012263	4	ChEMBL_2054592 (CHEMBL4709593)	Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysis
50012263	5	ChEMBL_2054593 (CHEMBL4709594)	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysis
50012263	6	ChEMBL_2054594 (CHEMBL4709595)	Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysis
50012263	7	ChEMBL_2054595 (CHEMBL4709596)	Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysis
50012263	8	ChEMBL_2054596 (CHEMBL4709597)	Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition by LC-MS/MS analysis
50012265	1	ChEMBL_2054735 (CHEMBL4709736)	Inhibition of human platelets derived PDE5 using [3H]-cGMP as substrate incubated for 60 min by scintillation proximity assay
50012265	2	ChEMBL_2054736 (CHEMBL4709737)	Inhibition of wild type ESR1 (unknown origin) by transactivation assay
50012265	3	ChEMBL_2054742 (CHEMBL4709743)	Inhibition of GST-tagged recombinant human CDK1/GST-tagged human cyclin B expressed in Sf-9 cells incubated for 10 mins by scintillation counting method
50012265	4	ChEMBL_2054743 (CHEMBL4709744)	Inhibition of GST-tagged recombinant human CDK2/GST-tagged human cyclin E expressed in Sf-9 cells incubated for 10 mins by scintillation counting method
50012265	5	ChEMBL_2054744 (CHEMBL4709745)	Inhibition of CDK4/Cyclin D1 (unknown origin)
50012265	6	ChEMBL_2054745 (CHEMBL4709746)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50012265	7	ChEMBL_2054746 (CHEMBL4709747)	Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf-9 cells incubated for 10 mins by scintillation counting method
50012265	8	ChEMBL_2054747 (CHEMBL4709748)	Inhibition of human carbonic anhydrase 2 using 4-nitrophenyl acetate as substrate by spectrophotometry
50012265	9	ChEMBL_2054750 (CHEMBL4709751)	Inhibition of recombinant full length His-tagged human CDK9/cyclin T1 expressed in baculovirus expression system using biotinylated peptide biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by ATP and substrate addition and measured after 25 mins by TR-FRET assay
50012265	10	ChEMBL_2054751 (CHEMBL4709752)	Inhibition of recombinant GST-tagged human CDK2/GST-tagged cyclin E expressed in sf9 cells using biotinylated peptide biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins followed by ATP and substrate addition and measured after 25 mins by TR-FRET assay
50012265	11	ChEMBL_2054760 (CHEMBL4709761)	Inhibition of human DPP4 expressed in baculovirus expression system using Gly-Pro-AMC as substrate by fluorometric assay
50012265	12	ChEMBL_2054762 (CHEMBL4709763)	Inverse agonist activity at RORgammat in human CD4-positive T cells assessed as reduction in Th17 level incubated for 5 days by MSD electrochemiluminescent cytokine assay
50012265	13	ChEMBL_2054766 (CHEMBL4709767)	Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate measured after 60 mins by fluorescence method
50012265	14	ChEMBL_2054767 (CHEMBL4709768)	Inhibition of human CYP24A1 expressed in Chinese hamster V79 cells using [3H-1beta]-1alpha,25(OH)2D3 as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by scintillation counting method
50012265	15	ChEMBL_2054770 (CHEMBL4709771)	Inhibition of CYP27A1 (unknown origin) expressed in Chinese hamster V79 cells using 1alpha-(OH)D3 as substrate measured after 24 hrs by HPLC analysis
50012265	16	ChEMBL_2054771 (CHEMBL4709772)	Inhibition of CYP27B in human SW900 cells using 3H-(23,24)-25-(OH)D3 as substrate incubated for 5 hrs by HPLC method
50012265	17	ChEMBL_2054772 (CHEMBL4709773)	Inhibition of CYP24A1 (unknown origin) expressed in Chinese hamster V79 cells using [3H-1beta]-1alpha,25(OH)2D3 as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by scintillation counting method
50012265	18	ChEMBL_2054773 (CHEMBL4709774)	Inhibition of BACE1 in HEK293 cells harboring APP assessed as reduction in amyloidbeta 40 level measured after 18 to 20 hrs by AlphaLISA Assay
50012265	19	ChEMBL_2054774 (CHEMBL4709775)	Inhibition of human His-tagged BRD4 bromodomain1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by AlphaScreen assay
50012265	20	ChEMBL_2054775 (CHEMBL4709776)	Inhibition of human His-tagged BRD4 bromodomain2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by AlphaScreen assay
50012265	21	ChEMBL_2054776 (CHEMBL4709777)	Displacement of tetra-acetylated Histone H4 peptide from BRD4 (unknown origin) incubated for 1 hr by FRET analysis
50012266	1	ChEMBL_2054779 (CHEMBL4709780)	Inhibition of IDO1 (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins by microplate spectrophotometry analysis
50012266	2	ChEMBL_2054780 (CHEMBL4709781)	Inhibition of TDO (unknown origin) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 30 mins microplate spectrophotometry analysis
50012266	3	ChEMBL_2054791 (CHEMBL4709792)	Inhibition of IDO1 in IFN-gamma-induced human HeLa cells assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 24 hrs
50012266	4	ChEMBL_2054792 (CHEMBL4709793)	Inhibition of TDO in human A 172 cells assessed as reduction in L-kynurenine formation using L-tryptophan as substrate incubated for 24 hrs
50012269	1	ChEMBL_2054801 (CHEMBL4709802)	Inhibition of human CA1 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012269	2	ChEMBL_2054802 (CHEMBL4709803)	Inhibition of human CA2 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012269	3	ChEMBL_2054803 (CHEMBL4709804)	Inhibition of human CA9 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012269	4	ChEMBL_2054804 (CHEMBL4709805)	Inhibition of human CA12 preincubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012271	1	ChEMBL_2054829 (CHEMBL4709830)	Binding affinity to D2 receptor (unknown origin)
50012271	2	ChEMBL_2054830 (CHEMBL4709831)	Binding affinity to D3 receptor (unknown origin)
50012271	3	ChEMBL_2054831 (CHEMBL4709832)	Binding affinity to 5HT1A receptor (unknown origin)
50012271	4	ChEMBL_2054832 (CHEMBL4709833)	Binding affinity to 5HT2A receptor (unknown origin)
50012271	5	ChEMBL_2054833 (CHEMBL4709834)	Binding affinity to 5HT2C receptor (unknown origin)
50012271	6	ChEMBL_2054834 (CHEMBL4709835)	Binding affinity to H1 receptor (unknown origin)
50012271	7	ChEMBL_2054835 (CHEMBL4709836)	Binding affinity to 5HT6 receptor (unknown origin)
50012271	8	ChEMBL_2054836 (CHEMBL4709837)	Displacement of [3H](+)8-OH-DPAT from human 5HT1A receptor expressed in human HeLa cells measured after 60 mins
50012271	9	ChEMBL_2054837 (CHEMBL4709838)	Displacement of [3H]raclopride from human D2 long receptor expressed in CHO cells measured after 60 mins
50012271	10	ChEMBL_2054838 (CHEMBL4709839)	Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO-K1 cells measured after 20 mins
50012271	11	ChEMBL_2054839 (CHEMBL4709840)	Displacement of [3H]spiperone from D2 receptor in rat striatum measured after 15 mins by liquid scintillation counting method
50012271	12	ChEMBL_2054840 (CHEMBL4709841)	Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measured after 30 mins by liquid scintillation counting method
50012271	13	ChEMBL_2054841 (CHEMBL4709842)	Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured after 15 mins by liquid scintillation counting method
50012271	14	ChEMBL_2054842 (CHEMBL4709843)	Displacement of [3H]prazosin from rat cerebral cortex alpha1 adrenergic receptor measured after 60 mins by liquid scintillation counting method
50012271	15	ChEMBL_2054843 (CHEMBL4709844)	Displacement of [3H]mesulergine from rat cerebral cortex 5HT2C receptor measured after 15 mins by liquid scintillation counting method
50012271	16	ChEMBL_2054844 (CHEMBL4709845)	Displacement of [3H]pyrilamine from guinea pig cerebellum histamine H1 receptor measured after 60 mins by liquid scintillation counting method
50012271	17	ChEMBL_2054845 (CHEMBL4709846)	Displacement of [3H]5-CT from rat cerebral cortex 5HT7 receptor measured after 30 mins by liquid scintillation counting method
50012271	18	ChEMBL_2054846 (CHEMBL4709847)	Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor stably expressed in CHO cell membranes measured after 30 mins by liquid scintillation counting method
50012271	19	ChEMBL_2054847 (CHEMBL4709848)	Inhibition of human ERG expressed in HEK293 cells by whole-cell patch clamp method
50012271	20	ChEMBL_2054851 (CHEMBL4709852)	Agonist activity at human D2 receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay
50012271	21	ChEMBL_2054852 (CHEMBL4709853)	Antagonist activity at human D2 receptor expressed in CHO-K1 cells assessed as inhibition of dopamine-induced calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent dopamine addition by calcium 4 dye based FLIPR assay
50012271	22	ChEMBL_2054854 (CHEMBL4709855)	Agonist activity at human 5HT1A receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay
50012271	23	ChEMBL_2054856 (CHEMBL4709857)	Antagonist activity at human 5HT1A receptor expressed in CHO-K1 cells assessed as inhibition of 5HT-induced calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent 5HT addition by calcium 4 dye based FLIPR assay
50012271	24	ChEMBL_2054858 (CHEMBL4709859)	Agonist activity at human 5HT2A receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay
50012271	25	ChEMBL_2054860 (CHEMBL4709861)	Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells assessed as inhibition of 5HT-induced calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent 5HT addition by calcium 4 dye based FLIPR assay
50012271	26	ChEMBL_2054862 (CHEMBL4709863)	Agonist activity at human 5HT6 receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay
50012271	27	ChEMBL_2054864 (CHEMBL4709865)	Antagonist activity at human 5HT6 receptor expressed in CHO-K1 cells assessed as inhibition of 5HT-induced calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent 5HT addition by calcium 4 dye based FLIPR assay
50012271	28	ChEMBL_2054866 (CHEMBL4709867)	Agonist activity at human 5HT7 receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay
50012271	29	ChEMBL_2054868 (CHEMBL4709869)	Antagonist activity at human 5HT7 receptor expressed in CHO-K1 cells assessed as inhibition of 5CT-induced calcium flux incubated for 60 mins at 37 degC followed by 15 mins incubation at room temperature and subsequent 5CT addition by calcium 4 dye based FLIPR assay
50012271	30	ChEMBL_2054911 (CHEMBL4709912)	Binding affinity to D1 receptor (unknown origin)
50012271	31	ChEMBL_2054912 (CHEMBL4709913)	Binding affinity to alpha2 adrenergic receptor (unknown origin)
50012271	32	ChEMBL_2054913 (CHEMBL4709914)	Binding affinity to H3 receptor (unknown origin)
50012271	33	ChEMBL_2054914 (CHEMBL4709915)	Binding affinity to SERT (unknown origin)
50012271	34	ChEMBL_2054915 (CHEMBL4709916)	Binding affinity to NET (unknown origin)
50012271	35	ChEMBL_2054916 (CHEMBL4709917)	Binding affinity to DAT (unknown origin)
50012271	36	ChEMBL_2054917 (CHEMBL4709918)	Binding affinity to sigma 1 receptor (unknown origin)
50012271	37	ChEMBL_2054918 (CHEMBL4709919)	Binding affinity to sigma 2 receptor (unknown origin)
50012273	1	ChEMBL_2054921 (CHEMBL4709922)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced current measured at holding potential of -90 mV by two electrode voltage-clamp assay
50012273	2	ChEMBL_2054926 (CHEMBL4709927)	Antagonist activity at rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced current measured at holding potential of -90 mV by two electrode voltage-clamp assay
50012274	1	ChEMBL_2054928 (CHEMBL4709929)	Displacement of [3H]-Histamine from human histamine H3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method
50012274	2	ChEMBL_2054929 (CHEMBL4709930)	Inhibition of human erythrocyte AChE using ATC iodide as substrate preincubated with enzyme for 4.5 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
50012274	3	ChEMBL_2054930 (CHEMBL4709931)	Inhibition of Electric eel AChE using ATC iodide as substrate preincubated with enzyme for 4.5 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
50012274	4	ChEMBL_2054931 (CHEMBL4709932)	Inhibition of equine serum BChE using BTC iodide as substrate preincubated with enzyme for 4.5 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
50012274	5	ChEMBL_2054932 (CHEMBL4709933)	Inhibition of Electric eel AChE using ATCI as substrate preincubated with enzyme for 60 mins followed by substrate addition and measured for 120 secs by spectrophotometric based Ellman's method
50012274	6	ChEMBL_2054933 (CHEMBL4709934)	Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysis
50012274	7	ChEMBL_2054934 (CHEMBL4709935)	Inhibition of Electric eel AChE using ATCI as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method
50012274	8	ChEMBL_2054935 (CHEMBL4709936)	Inhibition of equine serum BChE using BTCI as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method
50012274	9	ChEMBL_2054936 (CHEMBL4709937)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate by fluorometric assay
50012274	10	ChEMBL_2054939 (CHEMBL4709940)	Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by microbeta scintillation analysis
50012274	11	ChEMBL_2054941 (CHEMBL4709942)	Inhibition of recombinant human AChE using ATCI as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method
50012274	12	ChEMBL_2054942 (CHEMBL4709943)	Inhibition of human BuChE by spectrophotometric based Ellman's method
50012275	1	ChEMBL_2054987 (CHEMBL4709988)	Inhibition of recombinant wild-type human N-terminal GST-HIS6 fused RET C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells using TRK-C-derived peptide as substrate in presence of [33P]-ATP by filter binding assay
50012275	2	ChEMBL_2054988 (CHEMBL4709989)	Inhibition of recombinant human N-terminal GST-HIS6 fused RET M918T mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells using TRK-C-derived peptide as substrate in presence of [33P]-ATP by filter binding assay
50012275	3	ChEMBL_2054989 (CHEMBL4709990)	Inhibition of recombinant human N-terminal GST-HIS6 fused RET V804L mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells using TRK-C-derived peptide as substrate in presence of [33P]-ATP by filter binding assay
50012275	4	ChEMBL_2054990 (CHEMBL4709991)	Inhibition of recombinant human N-terminal GST-HIS6 fused RET V804M mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells using TRK-C-derived peptide as substrate in presence of [33P]-ATP by filter binding assay
50012275	5	ChEMBL_2054991 (CHEMBL4709992)	Inhibition of human N-terminal GST-HIS6 fused CCDC6-RET fusion protein (Met1 to Ser503 residues) expressed in Sf9 insect cells using TRK-C-derived peptide as substrate in presence of [33P]-ATP by filter binding assay
50012275	6	ChEMBL_2054992 (CHEMBL4709993)	Inhibition of KIF5B-RET fusion protein (unknown origin) by radiometric assay
50012276	1	ChEMBL_2055104 (CHEMBL4710105)	Binding affinity to N-terminal His6-tagged CK2alpha (1 to 337 residues) (unknown origin) expressed in BL21(DE3) cells by isothermal titration calorimetry
50012276	2	ChEMBL_2055109 (CHEMBL4710110)	Displacement of fluorescent tracer from full-length human C-terminal NanoLuc-tagged CK2alpha expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50012276	3	ChEMBL_2055110 (CHEMBL4710111)	Displacement of fluorescent tracer from full-length human C-terminal NanoLuc-tagged CK2alpha' expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50012276	4	ChEMBL_2055111 (CHEMBL4710112)	Displacement of fluorescent tracer from full-length human C-terminal NanoLuc-tagged CK2alpha expressed in HEK293T permeabilized cells measured after 2 hrs by NanoBRET assay
50012276	5	ChEMBL_2055112 (CHEMBL4710113)	Displacement of fluorescent tracer from full-length human C-terminal NanoLuc-tagged CK2alpha' expressed in HEK293T permeabilized cells measured after 2 hrs by NanoBRET assay
50012276	6	ChEMBL_2055173 (CHEMBL4710174)	Inhibition of recombinant human CK2alpha in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	7	ChEMBL_2055174 (CHEMBL4710175)	Inhibition of recombinant human CK2alpha' in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	8	ChEMBL_2055175 (CHEMBL4710176)	Inhibition of recombinant human DAPK3 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	9	ChEMBL_2055176 (CHEMBL4710177)	Inhibition of recombinant human FLT3 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	10	ChEMBL_2055177 (CHEMBL4710178)	Inhibition of recombinant human TBK1 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	11	ChEMBL_2055178 (CHEMBL4710179)	Inhibition of recombinant human CLK3 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	12	ChEMBL_2055179 (CHEMBL4710180)	Inhibition of recombinant human HIPK3 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	13	ChEMBL_2055180 (CHEMBL4710181)	Inhibition of recombinant human PIM1 in presence of ATP at Km concentration by radiometric filter-binding assay
50012276	14	ChEMBL_2055181 (CHEMBL4710182)	Inhibition of recombinant human CDK1/cyclin B in presence of ATP at Km concentration by radiometric filter-binding assay
50012278	1	ChEMBL_2055182 (CHEMBL4710183)	Inhibition of human recombinant NPP1 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 35 mins by spectrophotometric analysis
50012278	2	ChEMBL_2055183 (CHEMBL4710184)	Inhibition of human recombinant NPP3 expressed in COS-7 cell membrane at 100 uM using p-nitrophenyl thymidine monophosphate substrate incubated for 35 mins by spectrophotometric analysis
50012279	1	ChEMBL_2055297 (CHEMBL4710298)	Inhibition of factor 12a (unknown origin)
50012279	2	ChEMBL_2055298 (CHEMBL4710299)	Inhibition of trypsin (unknown origin)
50012279	3	ChEMBL_2055299 (CHEMBL4710300)	Inhibition of human factor 12a
50012279	4	ChEMBL_2055300 (CHEMBL4710301)	Inhibition of human factor 12a using Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 5 mins followed by substrate addition by absorbance method
50012279	5	ChEMBL_2055301 (CHEMBL4710302)	Inhibition of human factor 12a using H-D-Pro-Phe-Arg-pNa as substrate by spectrophotometric method
50012279	6	ChEMBL_2055303 (CHEMBL4710304)	Inhibition of human factor 12a using chromogenic substrate by Lineweaver-Burk analysis
50012279	7	ChEMBL_2055304 (CHEMBL4710305)	Competitive inhibition of trypsin (unknown origin) using BFSR as substrate
50012279	8	ChEMBL_2055305 (CHEMBL4710306)	Non-competitive inhibition of factor 12a (unknown origin) using BQGR as substrate
50012280	1	ChEMBL_2055317 (CHEMBL4710318)	Inhibition of RNA-dependent DNA polymerase activity of wild type recombinant HIV-1 His-tagged p66/p51 reverse transcriptase assessed as inhibition of [3H]dTTP incorporation using poly(rA)/oligo(dT) as templates incubated for 15 mins by MicroBeta scintillation counting method
50012280	2	ChEMBL_2055318 (CHEMBL4710319)	Inhibition of RNA-dependent DNA polymerase activity of recombinant HIV-1 p66/p51 reverse transcriptase K103N mutant assessed as inhibition of [3H]dTTP incorporation using poly(rA)/oligo(dT) as templates incubated for 15 mins by MicroBeta scintillation counting method
50012280	3	ChEMBL_2055345 (CHEMBL4710346)	Binding affinity to free form of wild type HIV-1 p66/p51 reverse transcriptase using poly(rA)/oligo(dT) as templates in presence of [3H]dTTP
50012280	4	ChEMBL_2055346 (CHEMBL4710347)	Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid binary complex using poly(rA)/oligo(dT) as templates in presence of [3H]dTTP
50012280	5	ChEMBL_2055347 (CHEMBL4710348)	Binding affinity to wild type HIV-1 p66/p51 reverse transcriptase/nucleic acid/dTTP ternary complex using poly(rA)/oligo(dT) as templates in presence of [3H]dTTP
50012281	1	ChEMBL_2055381 (CHEMBL4710382)	Inhibition of BRD4 BD1 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay
50012281	2	ChEMBL_2055394 (CHEMBL4710395)	Inhibition of BRD4 BD2 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay
50012281	3	ChEMBL_2055395 (CHEMBL4710396)	Inhibition of BRD2 BD1 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay
50012281	4	ChEMBL_2055396 (CHEMBL4710397)	Inhibition of BRD2 BD2 (unknown origin) preincubated for 15 mins followed by peptide addition and measured after 60 mins by TR-FRET assay
50012281	5	ChEMBL_2055408 (CHEMBL4710409)	Inhibition of human His-tagged BRD4 BD1 domain using H4K5acK8acK12acK16ac as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by AlphaScreen assay
50012281	6	ChEMBL_2055409 (CHEMBL4710410)	Inhibition of human His-tagged BRD4 BD2 domain using H-SGRGK(Ac)GGK(Ac)GLGK-(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by AlphaScreen assay
50012284	1	ChEMBL_2055417 (CHEMBL4710418)	Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21 (DE3) cells assessed as formation of resorufin using FPR as substrate by Amplex Red hydrogen/peroxidase coupled assay
50012285	1	ChEMBL_2055535 (CHEMBL4710536)	Inhibition of human ANO1 channel expressed in HEK293 cells incubated for 10 mins by FLIPR assay
50012285	2	ChEMBL_2055536 (CHEMBL4710537)	Inhibition of GFP-fused mouse ANO1 channel expressed in HEK293A cells assessed as inhibition of ATP-induced channel current amplitude at membrane potential of +80 mV by patch clamp electrophysiology assay
50012285	3	ChEMBL_2055562 (CHEMBL4710563)	Inhibition of GFP-fused mouse ANO2 channel expressed in HEK293A cells assessed as inhibition of channel current amplitude at membrane potential of +80 mV by patch clamp electrophysiology assay
50012285	4	ChEMBL_2055565 (CHEMBL4710566)	Inhibition of ANO1 channel (unknown origin)
50012285	5	ChEMBL_2055566 (CHEMBL4710567)	Inhibition of human ANO1 expressed in FRT cells assessed as inhibition of ATP-induced channel current treated 20 mins prior to ATP challenge and measured by pacth-clamp technique
50012286	1	ChEMBL_2055570 (CHEMBL4710571)	Antagonist activity at 5HT2A receptor (unknown origin)
50012286	2	ChEMBL_2055571 (CHEMBL4710572)	Inhibition of serotonin transporter (unknown origin)
50012286	3	ChEMBL_2055572 (CHEMBL4710573)	Partial agonist activity at presynaptic D2 receptor (unknown origin)
50012286	4	ChEMBL_2055573 (CHEMBL4710574)	Antagonist activity at postsynaptic D2 receptor (unknown origin)
50012286	5	ChEMBL_2055574 (CHEMBL4710575)	Antagonist activity at recombinant human H3 receptor expressed in CHO-K1 cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50012286	6	ChEMBL_2055578 (CHEMBL4710579)	Inhibition of androgen receptor (unknown origin)
50012286	7	ChEMBL_2055584 (CHEMBL4710585)	Inhibition of CSF1R (unknown origin)
50012287	1	ChEMBL_2055585 (CHEMBL4710586)	Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopy
50012287	2	ChEMBL_2055586 (CHEMBL4710587)	Binding affinity to wild type TTR (unknown origin) assessed as Kd1 by isothermal titration calorimetry
50012287	3	ChEMBL_2055587 (CHEMBL4710588)	Binding affinity to wild type TTR (unknown origin) assessed as Kd2 by isothermal titration calorimetry
50012287	4	ChEMBL_2055588 (CHEMBL4710589)	Stabilization of TTR V30M mutant (unknown origin) assessed as inhibition of protein-mediated amyloid fibril formation
50012287	5	ChEMBL_2055589 (CHEMBL4710590)	Binding affinity to wild type TTR (unknown origin) expressed in bacterial expression system by isothermal titration calorimetry
50012291	1	ChEMBL_2055635 (CHEMBL4710636)	Inhibition of recombinant human Flag-tagged SphK2 transfected in HEK293 cells using d-erythro-sphingosine as substrate by [gamma32P]-ATP based assay
50012291	2	ChEMBL_2055636 (CHEMBL4710637)	Inhibition of recombinant human Flag-tagged SphK1 transfected in HEK293 cells using d-erythro-sphingosine as substrate by [gamma32P]-ATP based assay
50012291	3	ChEMBL_2055637 (CHEMBL4710638)	Competitive inhibition of recombinant human C-terminal His-tagged SphK1 expressed in baculovirus infected Sf21 cells using varying concentrations of FITC-sphingosine as substrate incubated for 30 mins by LC-MS/MS analysis
50012291	4	ChEMBL_2055638 (CHEMBL4710639)	Inhibition of recombinant human N-terminal His-tagged full length SphK2 expressed in baculovirus infected Sf9 cells using C17-sphingosine as substrate incubated for 2 hrs by ADQ Quest assay
50012291	5	ChEMBL_2055639 (CHEMBL4710640)	Inhibition of recombinant SphK2 (unknown origin) using sphingosine as substrate by [gamma32P]-ATP based assay
50012291	6	ChEMBL_2055640 (CHEMBL4710641)	Inhibition of recombinant SphK2 (unknown origin) using sphingosine as substrate incubated for 15 to 20 mins by [gamma32P]-ATP based assay
50012291	7	ChEMBL_2055643 (CHEMBL4710644)	Inhibition of recombinant human N-terminal His-tagged SphK2 (2 to 654 residues) expressed in baculovirus infected Sf21 cells using d-erythro-sphingosine as substrate incubated for 1 hr by ADP-Glo assay
50012292	1	ChEMBL_2055645 (CHEMBL4710646)	Inhibition of human BChE using butyrylthiocholineiodide as substrate measured for 5 mins by Ellman's method
50012292	2	ChEMBL_2055647 (CHEMBL4710648)	Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 5 mins by Ellman's method
50012293	1	ChEMBL_2055715 (CHEMBL4710716)	Antagonist activity at NOD1 in HEK-Blue hNOD1 cells assessed as inhibition of C12-iE-DAP-induced NFkappaB activation-mediated SEAP release preincubated for 3 hrs followed by C12-iE-DAP addition and measured after 20 hrs by spectrophotometric method
50012293	2	ChEMBL_2055716 (CHEMBL4710717)	Antagonist activity at NOD2 in HEK-Blue hNOD2 cells assessed as inhibition of MDP-induced NFkappaB activation-mediated SEAP release preincubated for 3 hrs followed by MDP addition and measured after 20 hrs by spectrophotometric method
50012293	3	ChEMBL_2055740 (CHEMBL4710741)	Antagonist activity at recombinant human NOD1 expressed in HEK293 cells assessed as inhibition of C12-iE-DAP-induced IL8 release measured after 24 hrs by HTRF assay
50012293	4	ChEMBL_2055741 (CHEMBL4710742)	Antagonist activity at recombinant human NOD2 expressed in HEK293 cells assessed as inhibition of MDP-induced IL8 release measured after 24 hrs by HTRF assay
50012294	1	ChEMBL_2055742 (CHEMBL4710743)	Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 mins by microbeta scintillation counting method
50012294	2	ChEMBL_2055743 (CHEMBL4710744)	Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 mins by microbeta scintillation counting method
50012295	1	ChEMBL_2055825 (CHEMBL4710826)	Inhibition of human Glyoxalase-1 expressed in Escherichia coli BL21 (DE3)
50012297	1	ChEMBL_2055836 (CHEMBL4710837)	Non-competitive inhibition of recombinant human AChE assessed as decrease in Vmax with constant Km using varying level of acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 10 mins by Lineweaver-Burk plot analysis
50012297	2	ChEMBL_2055837 (CHEMBL4710838)	Inhibition of recombinant human AChE
50012297	3	ChEMBL_2055840 (CHEMBL4710841)	Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 10 mins by DTNB-reagent based Ellman's method
50012297	4	ChEMBL_2055841 (CHEMBL4710842)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 10 mins by DTNB-reagent based Ellman's method
50012297	5	ChEMBL_2055846 (CHEMBL4710847)	Mixed type inhibition of equine serum BChE assessed as decrease in Vmax and increase in Km using varying level of S-butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every minute for 10 mins by Lineweaver-Burk plot analysis
50012298	1	ChEMBL_2055847 (CHEMBL4710848)	Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay
50012298	2	ChEMBL_2055848 (CHEMBL4710849)	Binding affinity to human MAG by surface plasmon resonance assay
50012300	1	ChEMBL_2055994 (CHEMBL4710995)	Inhibition of human CRAF using MEK1 (K97R) as substrate in presence of [gamma-33P]ATP by scintillation counting method
50012300	2	ChEMBL_2055995 (CHEMBL4710996)	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate in presence of [gamma-33P]ATP by scintillation counting method
50012300	3	ChEMBL_2055996 (CHEMBL4710997)	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]ATP by scintillation counting method
50012300	4	ChEMBL_2055997 (CHEMBL4710998)	Inhibition of human BRAF using MEK1 (K97R) as substrate in presence of [gamma-33P]ATP by scintillation counting method
50012300	5	ChEMBL_2055998 (CHEMBL4710999)	Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate in presence of [gamma-33P]ATP by scintillation counting method
50012301	1	ChEMBL_2056014 (CHEMBL4711015)	Inhibition of VEGFR2 (unknown origin) by Kinase-Glo max reagent-based assay
50012302	1	ChEMBL_2056020 (CHEMBL4711021)	Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatal membranes incubated for 120 mins by microbeta scintillation counting method
50012302	2	ChEMBL_2056021 (CHEMBL4711022)	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method
50012302	3	ChEMBL_2056022 (CHEMBL4711023)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis
50012302	4	ChEMBL_2056025 (CHEMBL4711026)	Displacement of [3H]-N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method
50012302	5	ChEMBL_2056026 (CHEMBL4711027)	Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method
50012302	6	ChEMBL_2056027 (CHEMBL4711028)	Displacement of [3H]-N-methylspiperone from human D4.4 receptor expressed in HEK293 cell membranes measured after 60 mins by microbeta scintillation counting method
50012304	1	ChEMBL_2056034 (CHEMBL4711035)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader method
50012304	2	ChEMBL_2056035 (CHEMBL4711036)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorimetric analysis
50012304	3	ChEMBL_2056037 (CHEMBL4711038)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells incubated at room temperature for 1 hr by microbeta plate reader analysis
50012304	4	ChEMBL_2056038 (CHEMBL4711039)	Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHOK1 cells incubated at 27 degree C for 1 hr by microbeta plate reader analysis
50012304	5	ChEMBL_2056039 (CHEMBL4711040)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader analysis
50012304	6	ChEMBL_2056040 (CHEMBL4711041)	Displacement of [3H]-raclopride from human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader analysis
50012304	7	ChEMBL_2056041 (CHEMBL4711042)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorimetric analysis
50012304	8	ChEMBL_2056047 (CHEMBL4711048)	Inverse agonist activity at recombinant human 5HT6 receptor expressed in NG108-15 cells assessed as inhibition of cAMP production measured after 5 mins by BRET assay
50012306	1	ChEMBL_2056067 (CHEMBL4711068)	Inhibition of DYRK1alpha (unknown origin)
50012306	2	ChEMBL_2056068 (CHEMBL4711069)	Inhibition of DYRK1beta (unknown origin)
50012306	3	ChEMBL_2056083 (CHEMBL4711084)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 1 min followed by substrate addition and measured after 10 mins by Ellman's method
50012306	4	ChEMBL_2056084 (CHEMBL4711085)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 1 min followed by substrate addition and measured after 10 mins by Ellman's method
50012306	5	ChEMBL_2056085 (CHEMBL4711086)	Inhibition of recombinant human N-terminal His6-tagged GSK-3beta H350L mutant expressed in baculovirus infected Sf21 cells using GSM as substrate incubated for 30 mins in presence of ATP by kinase-glo luminescence assay
50012307	1	ChEMBL_2056123 (CHEMBL4711124)	Inhibition of ULK1 (unknown origin) by 32P-ATP radio active assay
50012307	2	ChEMBL_2056124 (CHEMBL4711125)	Inhibition of ULK2 (unknown origin)
50012311	1	ChEMBL_2056164 (CHEMBL4711165)	Correction activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o- cells coexpressing HS-YFP preincubated for 24 hrs followed by forskolin and genistein addition for 30 mins by fluorescence based assay
50012311	2	ChEMBL_2056171 (CHEMBL4711172)	Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assay
50012315	1	ChEMBL_2056174 (CHEMBL4711175)	Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay
50012315	2	ChEMBL_2056175 (CHEMBL4711176)	Inhibition of recombinant human full-length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay
50012315	3	ChEMBL_2056176 (CHEMBL4711177)	Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-Ac)-AMC as substrate measured after 90 mins by fluorescence assay
50012316	1	ChEMBL_2056204 (CHEMBL4711205)	Agonist activity at AhR in human HepG2 cells co-transfected with pSELECT-zeo-Lucia and CYP1A1 assessed as induction of receptor transactivation incubated for 24 hrs by luciferase reporter gene assay
50012316	2	ChEMBL_2056210 (CHEMBL4711211)	Agonist activity at AhR in human HepG2 cells assessed as induction of AhR transcriptional activity incubated for 24 hrs by Quanti-Luc reagent based luminescence assay
50012316	3	ChEMBL_2056211 (CHEMBL4711212)	Antagonist activity at AhR in human HepG2 cells assessed as inhibition of FICZ-induced AhR transcriptional activity incubated for 24 hrs by Quanti-Luc reagent based luminescence assay
50012318	1	ChEMBL_2056236 (CHEMBL4711237)	Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry
50012318	2	ChEMBL_2056237 (CHEMBL4711238)	Binding affinity to human CKbeta assessed as dissociation constant by spectroflurometry
50012318	3	ChEMBL_2056242 (CHEMBL4711243)	Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as substrate preincubated for 5 mins in presence of ATP and MgCl2 followed by substrate addition and measured after 10 mins by liquid scintillation counting method relative to control
50012319	1	ChEMBL_2056279 (CHEMBL4711280)	Inhibition of DPP4 in human Caco-2 cells using AP-AFC as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50012319	2	ChEMBL_2056280 (CHEMBL4711281)	Inhibition of DPP8 (unknown origin)
50012319	3	ChEMBL_2056282 (CHEMBL4711283)	Inhibition of DPP9 (unknown origin)
50012320	1	ChEMBL_2056310 (CHEMBL4711311)	Inhibition of PI3Kdelta (unknown origin) by ADP-Glo kinase assay
50012320	2	ChEMBL_2056318 (CHEMBL4711319)	Inhibition of PI3Kalpha (unknown origin)
50012320	3	ChEMBL_2056319 (CHEMBL4711320)	Inhibition of PI3Kbeta (unknown origin)
50012320	4	ChEMBL_2056320 (CHEMBL4711321)	Inhibition of PI3Kgamma (unknown origin)
50012323	1	ChEMBL_2056354 (CHEMBL4711355)	Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins
50012323	2	ChEMBL_2056355 (CHEMBL4711356)	Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins
50012323	3	ChEMBL_2056356 (CHEMBL4711357)	Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by liquid scintillation spectroscopy
50012323	4	ChEMBL_2056357 (CHEMBL4711358)	Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by liquid scintillation spectroscopy
50012323	5	ChEMBL_2056358 (CHEMBL4711359)	Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy
50012323	6	ChEMBL_2056359 (CHEMBL4711360)	Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy
50012323	7	ChEMBL_2056360 (CHEMBL4711361)	Agonist activity at human CB1R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay
50012323	8	ChEMBL_2056361 (CHEMBL4711362)	Antagonist activity at human CB1R expressed in CHO cell membranes preincubated for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay
50012323	9	ChEMBL_2056362 (CHEMBL4711363)	Partial agonist activity at human CB1R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay
50012323	10	ChEMBL_2056363 (CHEMBL4711364)	Agonist activity at human CB2R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay
50012323	11	ChEMBL_2056364 (CHEMBL4711365)	Inverse agonist activity at human CB2R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay
50012323	12	ChEMBL_2056365 (CHEMBL4711366)	Antagonist activity at human CB2R expressed in CHO cell membranes preincubated for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay
50012323	13	ChEMBL_2056367 (CHEMBL4711368)	Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide-induced GTPgammaS binding by measuring N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide EC50 at 100 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 11.6 nM)
50012323	14	ChEMBL_2056368 (CHEMBL4711369)	Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide-induced GTPgammaS binding by measuring N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide EC50 at 300 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 11.6 nM)
50012323	15	ChEMBL_2056369 (CHEMBL4711370)	Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide-induced GTPgammaS binding by measuring N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-fluoro benzyl)-6-methyl-2-oxo-pyridine-3-carboxamide EC50 at 1000 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 11.6 nM)
50012323	16	ChEMBL_2056370 (CHEMBL4711371)	Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2-oxo-5-phenyl-pyridine-3-carboxamide EC50 at 100 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 19.4 nM)
50012323	17	ChEMBL_2056371 (CHEMBL4711372)	Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2-oxo-5-phenyl-pyridine-3-carboxamide EC50 at 300 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 19.4 nM)
50012323	18	ChEMBL_2056372 (CHEMBL4711373)	Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2-oxo-5-phenyl-pyridine-3-carboxamide EC50 at 1000 nM preincubated with compound for 30 mins followed by GTPgammaS addition and measured after 90 mins by [35S]GTPgammaS assay (Rvb = 19.4 nM)
50012325	1	ChEMBL_2056499 (CHEMBL4711500)	Inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrate addition measured after 20 mins by fluorescence analysis
50012325	2	ChEMBL_2056500 (CHEMBL4711501)	Inhibition of hCES1A in human liver microsome assessed as reduction in D-Iuciferin methyl ester hydrolysis preincubated for 10 mins followed by substrate addition measured after 10 mins by luminescence analysis
50012325	3	ChEMBL_2056501 (CHEMBL4711502)	Inhibition of BChE in human plasma assessed as reduction in butyrylthiocholineiodide hydrolysis preincubated for 3 mins followed by substrate addition
50012325	4	ChEMBL_2056502 (CHEMBL4711503)	Mixed inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrate addition measured after 20 mins by Lineweave-Burk plots analysis
50012325	5	ChEMBL_2056503 (CHEMBL4711504)	Inhibition of hCES2A in human HepG2 cells assessed as reduction in fluorogenic substrate NCEN hydrolysis preincubated for 1 hr followed by substrate addition measured after 45 mins by fluorescence analysis
50012325	6	ChEMBL_2056506 (CHEMBL4711507)	Inhibition of human CES2A using 4-methylumbelliferone as a substrate
50012326	1	ChEMBL_2056542 (CHEMBL4711543)	Inhibition of CYP3A4 in human liver microsome using testosterone as substrate
50012328	1	ChEMBL_2056568 (CHEMBL4711569)	Inhibition of GSK3beta (unknown origin) measured after 40 mins by ADP-Glo assay
50012329	1	ChEMBL_2056646 (CHEMBL4711647)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50012329	2	ChEMBL_2056654 (CHEMBL4711655)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 5 mins by Ellman's reagent based UV-Vis spectrophotometric method
50012329	3	ChEMBL_2056657 (CHEMBL4711658)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by ThT fluorescence assay
50012329	4	ChEMBL_2056659 (CHEMBL4711660)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 5 mins by Ellman's method
50012329	5	ChEMBL_2056663 (CHEMBL4711664)	Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 5 mins
50012329	6	ChEMBL_2056666 (CHEMBL4711667)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using p-Tyramine as substrate incubated for 15 mins by fluorescence method
50012329	7	ChEMBL_2056687 (CHEMBL4711688)	Antagonist activity at human H3 receptor expressed in HEK293 cells centrifuged for 3 mins followed by 60 mins incubation by LANCE Ultra cAMP assay
50012329	8	ChEMBL_2056688 (CHEMBL4711689)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 24 hrs by ThT fluorescence assay
50012330	1	ChEMBL_2056698 (CHEMBL4711699)	Inhibition of C-terminal NanoLuc-fused full length human MAPK14 expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	2	ChEMBL_2056712 (CHEMBL4711713)	Inhibition of wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system by Kinomescan method
50012330	3	ChEMBL_2056713 (CHEMBL4711714)	Inhibition of wild-type human full length p38-alpha (M1 to S360 residues) expressed in bacterial expression system by Kinomescan method
50012330	4	ChEMBL_2056714 (CHEMBL4711715)	Inhibition of wild-type human full length p38-beta (M1 to Q364 residues) expressed in bacterial expression system by Kinomescan method
50012330	5	ChEMBL_2056715 (CHEMBL4711716)	Inhibition of wild-type human non-phosphorylated ABL1 (S229 to K512 residues) expressed in mammalian expression system by Kinomescan method
50012330	6	ChEMBL_2056716 (CHEMBL4711717)	Inhibition of wild-type human partial length ZAK (M1 to L331 residues) expressed in bacterial expression system by Kinomescan method
50012330	7	ChEMBL_2056717 (CHEMBL4711718)	Inhibition of wild-type human partial length DDR2 (V555 to E855 residues) expressed in mammalian expression system by Kinomescan method
50012330	8	ChEMBL_2056718 (CHEMBL4711719)	Inhibition of C-terminal NanoLuc-fused full length FLT3 K663Q mutant (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	9	ChEMBL_2056719 (CHEMBL4711720)	Inhibition of C-terminal NanoLuc-fused full length FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	10	ChEMBL_2056720 (CHEMBL4711721)	Inhibition of C-terminal NanoLuc-fused full length DDR1 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	11	ChEMBL_2056721 (CHEMBL4711722)	Inhibition of C-terminal NanoLuc-fused full length p38beta (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	12	ChEMBL_2056722 (CHEMBL4711723)	Inhibition of C-terminal NanoLuc-fused full length non-phosphorylated ABL1 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	13	ChEMBL_2056723 (CHEMBL4711724)	Inhibition of C-terminal NanoLuc-fused full length ZAK (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	14	ChEMBL_2056724 (CHEMBL4711725)	Inhibition of C-terminal NanoLuc-fused full length DDR2 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	15	ChEMBL_2056725 (CHEMBL4711726)	Inhibition of C-terminal NanoLuc-fused full length MAP3K4 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	16	ChEMBL_2056726 (CHEMBL4711727)	Inhibition of C-terminal NanoLuc-fused full length EPHA1 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	17	ChEMBL_2056727 (CHEMBL4711728)	Inhibition of C-terminal NanoLuc-fused full length STK11 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	18	ChEMBL_2056728 (CHEMBL4711729)	Inhibition of C-terminal NanoLuc-fused full length FGFR3 G6973C mutant (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	19	ChEMBL_2056729 (CHEMBL4711730)	Inhibition of C-terminal NanoLuc-fused full length non-phosphorylated ABL1 Q252H mutant (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012330	20	ChEMBL_2056736 (CHEMBL4711737)	Inhibition of C-terminal NanoLuc-fused full length p38alpha (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50012331	1	ChEMBL_2056741 (CHEMBL4711742)	Inhibition of human CA1 preincubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50012331	2	ChEMBL_2056742 (CHEMBL4711743)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50012331	3	ChEMBL_2056743 (CHEMBL4711744)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50012331	4	ChEMBL_2056744 (CHEMBL4711745)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50012331	5	ChEMBL_2056745 (CHEMBL4711746)	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50012331	6	ChEMBL_2056746 (CHEMBL4711747)	Inhibition of human CA2 preincubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50012331	7	ChEMBL_2056747 (CHEMBL4711748)	Inhibition of human CA9 preincubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50012331	8	ChEMBL_2056748 (CHEMBL4711749)	Inhibition of human CA12 preincubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50012333	1	ChEMBL_2056757 (CHEMBL4711758)	Inhibition of chymotrypsin-like activity 20S proteasome beta subunit 5 of human MCF7 cells using fluorogenic substrate Suc-LLVY-AMC after 1 hr by fluorescence analysis
50012333	2	ChEMBL_2056758 (CHEMBL4711759)	Inhibition of caspase-like activity 20S proteasome beta subunit 1 of human MCF7 cells using fluorogenic substrate Z-LLE-AMC after 1 hr by fluorescence analysis
50012333	3	ChEMBL_2056759 (CHEMBL4711760)	Inhibition of trypsin-like activity 20S proteasome beta subunit 2 of human MCF7 cells using fluorogenic substrate Boc-LRR-AMC after 1 hr by fluorescence analysis
50012336	1	ChEMBL_2056819 (CHEMBL4711820)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by horse-radish peroxidase/Amplex Red coupled fluorimetric analysis
50012336	2	ChEMBL_2056820 (CHEMBL4711821)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by horse-radish peroxidase/Amplex Red coupled fluorimetric analysis
50012336	3	ChEMBL_2056824 (CHEMBL4711825)	Competitive inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using varying level of p-tyramine as substrate by Lineweaver-Burk plot analysis
50012337	1	ChEMBL_2056859 (CHEMBL4711860)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate preincubated with enzyme for 10 mins followed by addition of substrate and measured after 15 mins by fluorescence spectrophotometry
50012337	2	ChEMBL_2056861 (CHEMBL4711862)	Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of 4-hydroxyquinoline formation using varying concentration of kynuramine as substrate preincubated with enzyme for 10 mins followed by addition of substrate and measured after 15 mins by Lineweaver-Burk plot analysis
50012338	1	ChEMBL_2056869 (CHEMBL4711870)	Inhibition of JAK2 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescence assay
50012338	2	ChEMBL_2056870 (CHEMBL4711871)	Inhibition of JAK3 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescence assay
50012338	3	ChEMBL_2056871 (CHEMBL4711872)	Inhibition of Aurora A (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescence assay
50012338	4	ChEMBL_2056872 (CHEMBL4711873)	Inhibition of Aurora B (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescence assay
50012339	1	ChEMBL_2056913 (CHEMBL4711914)	Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method
50012339	2	ChEMBL_2056915 (CHEMBL4711916)	Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method
50012342	1	ChEMBL_2056940 (CHEMBL4711941)	Antagonist activity at GPR52 (unknown origin) expressed in HEK293 cells assessed as inhibition of WO459-induced cAMP accumulation preincubated for 15 mins followed by WO459 addition and measured after 30 mins by LANCE Ultra cAMP kit based microplate reader analysis
50012343	1	ChEMBL_2057037 (CHEMBL4712038)	Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 20 uM DiFMUP by DiFMUP assay
50012343	2	ChEMBL_2057038 (CHEMBL4712039)	Inhibition of recombinant SHP2 (262 to 532 amino acids) (unknown origin) incubated for 1 hr using 10 uM DiFMUP by DiFMUP assay
50012343	3	ChEMBL_2057039 (CHEMBL4712040)	Inhibition of PPIB (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	4	ChEMBL_2057040 (CHEMBL4712041)	Inhibition of PPIA (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	5	ChEMBL_2057041 (CHEMBL4712042)	Inhibition of PP2A alpha (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	6	ChEMBL_2057042 (CHEMBL4712043)	Inhibition of PTPN6 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	7	ChEMBL_2057043 (CHEMBL4712044)	Inhibition of PTPRC (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	8	ChEMBL_2057044 (CHEMBL4712045)	Inhibition of DUSP22 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	9	ChEMBL_2057045 (CHEMBL4712046)	Inhibition of PTPN2 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	10	ChEMBL_2057046 (CHEMBL4712047)	Inhibition of PTPN7 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	11	ChEMBL_2057047 (CHEMBL4712048)	Inhibition of PTPN12 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012343	12	ChEMBL_2057048 (CHEMBL4712049)	Inhibition of PTPN1 (unknown origin) pre-incubated for 20 mins followed by fluorescence substrate addition and measured after 120 mins by DiFMUP assay
50012344	1	ChEMBL_2057086 (CHEMBL4712087)	Inhibition of recombinant human sEH using PHOME as substrate measured after 15 mins by fluorescence assay
50012344	2	ChEMBL_2057087 (CHEMBL4712088)	Mixed-type inhibition of recombinant human sEH using PHOME as substrate measured after 15 mins by fluorescence based Lineweaver-burk plot analysis
50012347	1	ChEMBL_2057167 (CHEMBL4712168)	Agonist activity at human GPR84 expressed in CHO cells assessed as reduction in forskolin-stimulated cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 20 mins by cAMP assay
50012347	2	ChEMBL_2057168 (CHEMBL4712169)	Agonist activity at human GPR84 expressed in CHO cell membranes assessed as induction of [35S]GTPgammaS incorporation incubated for 1 hr by liquid scintillation counting method
50012347	3	ChEMBL_2057169 (CHEMBL4712170)	Agonist activity at human Gialpha-coupled GPR84 expressed in baculovirus infected sf9 insect cells assessed as induction of [35S]GTPgammaS incubated for 1 hr by liquid scintillation counting method
50012347	4	ChEMBL_2057170 (CHEMBL4712171)	Agonist activity at human GPR84 expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP production incubated for 30 mins by luminescence assay
50012347	5	ChEMBL_2057171 (CHEMBL4712172)	Agonist activity at human GPR84 expressed in CHO-K1 cells assessed as induction of beta-arrestin recruitment by luminescence assay
50012347	6	ChEMBL_2057172 (CHEMBL4712173)	Agonist activity at human Galphai2-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectroscopy
50012347	7	ChEMBL_2057173 (CHEMBL4712174)	Agonist activity at mouse Galphai2-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectroscopy
50012347	8	ChEMBL_2057174 (CHEMBL4712175)	Agonist activity at GPR84 in LPS-treated human THP-1 cell membrane assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectroscopy
50012347	9	ChEMBL_2057175 (CHEMBL4712176)	Agonist activity at GPR84 in LPS-treated mouse RAW 264.7 cell membrane assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectroscopy
50012347	10	ChEMBL_2057176 (CHEMBL4712177)	Agonist activity at GPR84 in mouse bone-marrow-derived neutrophils assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectroscopy
50012347	11	ChEMBL_2057177 (CHEMBL4712178)	Agonist activity at human GPR84 expressed in HEK293 cells assessed as reduction in forskolin-stimulated cAMP production incubated for 60 mins by HTRF assay
50012347	12	ChEMBL_2057178 (CHEMBL4712179)	Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cells assessed as inhibition of decanoic acid-induced [35S]GTPgammaS binding pre-incubated for 15 mins followed by [35S]GTPgammaS addition and measured after 45 mins by liquid scintillation spectrometry
50012347	13	ChEMBL_2057179 (CHEMBL4712180)	Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cells assessed as inhibition of embelin-induced [35S]GTPgammaS binding pre-incubated for 15 mins followed by [35S]GTPgammaS addition and measured after 45 mins by liquid scintillation spectrometry
50012347	14	ChEMBL_2057180 (CHEMBL4712181)	Antagonist activity at recombinant human N-terminal epitope tagged/eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cells assessed as inhibition of DIM-induced [35S]GTPgammaS binding pre-incubated for 15 mins followed by [35S]GTPgammaS addition and measured after 45 mins by liquid scintillation spectrometry
50012347	15	ChEMBL_2057181 (CHEMBL4712182)	Antagonist activity at human Flag-tagged Gialpha-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as reduction in ZQ-16-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by ZQ-16 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	16	ChEMBL_2057182 (CHEMBL4712183)	Antagonist activity at human Flag-tagged Gialpha-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as reduction in PSB-16671-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by PSB-16671 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	17	ChEMBL_2057183 (CHEMBL4712184)	Antagonist activity at mouse Galphai2-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as reduction in ZQ-16-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by ZQ-16 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	18	ChEMBL_2057184 (CHEMBL4712185)	Antagonist activity at mouse Galphai2-coupled GPR84 expressed in human Flp-In-T-REx-293 cell membrane assessed as reduction in PSB-16671-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by PSB-16671 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	19	ChEMBL_2057185 (CHEMBL4712186)	Antagonist activity at GPR84 in LPS-treated human THP-1 cell membrane assessed as reduction in ZQ-16-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by ZQ-16 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	20	ChEMBL_2057186 (CHEMBL4712187)	Antagonist activity at GPR84 in LPS-treated human THP-1 cell membrane assessed as reduction in PSB-16671-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by PSB-16671 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	21	ChEMBL_2057187 (CHEMBL4712188)	Antagonist activity at GPR84 in LPS-treated mouse RAW 264.7 cell membrane assessed as reduction in ZQ-16-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by ZQ-16 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	22	ChEMBL_2057188 (CHEMBL4712189)	Antagonist activity at GPR84 in LPS-treated mouse RAW 264.7 cell membrane assessed as reduction in PSB-16671-induced stimulation of [35S]GTPgammaS binding preincubated for 15 mins followed by PSB-16671 addition and subsequent addition of [35S]GTPgammaS measured after 60 mins by liquid scintillation spectroscopy
50012347	23	ChEMBL_2057189 (CHEMBL4712190)	Binding affinity to recombinant human N-terminal epitope tagged/eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membrane incubated for 1 hr by liquid scintillation spectrometry
50012347	24	ChEMBL_2057190 (CHEMBL4712191)	Antagonist activity at human GPR84 expressed in CHO-K1 cells assessed as reduction in 6-OAU-induced inhibition of forskolin stimulated cAMP production preincubated for 15 mins followed by forskolin and 6-OAU stimulation and measured after 30 mins by luminescence method
50012347	25	ChEMBL_2057191 (CHEMBL4712192)	Agonist activity at human GPR84 expressed in CHO cells assessed as induction of beta-arrestin recruitment by chemiluminescence PathHunter assay
50012347	26	ChEMBL_2057192 (CHEMBL4712193)	Antagonist activity at human C-terminal GFP10-fused GPR84 expressed in HEK293 cells co-expressing Rluc8-tagged Galphai2/GFP10-tagged Ggamma2/Gbeta1 assessed as inhibition of sodium decanoate-induced Galphai activation incubated for 8 mins by BRET assay
50012347	27	ChEMBL_2057193 (CHEMBL4712194)	Antagonist activity at human C-terminal GFP10-fused GPR84 expressed in HEK293 cells co-expressing Rluc8-tagged Galphai2/GFP10-tagged Ggamma2/Gbeta1 assessed as inhibition of embelin-induced Galphai activation incubated for 8 mins by BRET assay
50012347	28	ChEMBL_2057194 (CHEMBL4712195)	Antagonist activity at human C-terminal GFP10-fused GPR84 expressed in HEK293 cells co-expressing Rluc8-tagged Galphai2/GFP10-tagged Ggamma2/Gbeta1 assessed as inhibition of embelin-induced Galphai activation incubated for 10 mins by BRET assay
50012348	1	ChEMBL_2057269 (CHEMBL4712270)	Binding affinity to MEK1 (unknown origin) incubated for 1 hr by qPCR based KINOMEscan assay
50012348	2	ChEMBL_2057270 (CHEMBL4712271)	Binding affinity to MEK2 (unknown origin) incubated for 1 hr by qPCR based KINOMEscan assay
50012349	1	ChEMBL_2057306 (CHEMBL4712307)	Inhibition of rabbit skeletal muscle SERCA1 assessed as reduction in calcium uptake preincubated for 10 mins followed by ATP addition and measured after 4 mins by scintillation liquid method
50012350	1	ChEMBL_2057391 (CHEMBL4712392)	Inhibition of human acid ceramidase
50012350	2	ChEMBL_2057392 (CHEMBL4712393)	Inhibition of acid ceramidase in human HL-60 cell lysates
50012350	3	ChEMBL_2057393 (CHEMBL4712394)	Inhibition of acid ceramidase in human HaCaT cell lysates
50012350	4	ChEMBL_2057394 (CHEMBL4712395)	Inhibition of acid ceramidase in human SK-OV-3 cell lysates
50012350	5	ChEMBL_2057396 (CHEMBL4712397)	Inhibition of rat acid ceramidase
50012350	6	ChEMBL_2057398 (CHEMBL4712399)	Inhibition of human acid ceramidase using N-lauroyl ceramide incubated for 1 hr by LC/MS analysis
50012351	1	ChEMBL_2057436 (CHEMBL4712437)	Displacement of [Glp65, Nle75, Tyr77][125I]-apelin13 from human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting based radioligand binding assay
50012351	2	ChEMBL_2057437 (CHEMBL4712438)	Agonist activity at APJ receptor in rat NRK-52E cells assessed as effect on cAMP accumulation incubated for 1 hr by cAMP-Glo assay
50012353	1	ChEMBL_2057465 (CHEMBL4712466)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012353	2	ChEMBL_2057466 (CHEMBL4712467)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012353	3	ChEMBL_2057467 (CHEMBL4712468)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012353	4	ChEMBL_2057468 (CHEMBL4712469)	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012353	5	ChEMBL_2057469 (CHEMBL4712470)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012353	6	ChEMBL_2057470 (CHEMBL4712471)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012354	1	ChEMBL_2057486 (CHEMBL4712487)	Inhibition of Nrf2 peptide (KKKKAFFAQLQLDEETGEFL) binding to Keap1 Kelch domain (321 to 609 residues) (unknown origin) assessed as dissociation constant by surface plasmon resonance based inhibition in solution assay
50012354	2	ChEMBL_2057487 (CHEMBL4712488)	Binding affinity to Keap1 Kelch domain (321 to 609 residues) (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50012354	3	ChEMBL_2057492 (CHEMBL4712493)	Binding affinity to Keap1 Kelch domain (321 to 609 residues) (unknown origin) by SPR based direct binding assay
50012355	1	ChEMBL_2057493 (CHEMBL4712494)	Inhibition of oligonucleotide [32P]-labelled 5'-AGCITCATTTCCCGTAAATCCCTA probe binding to STAT3 SH2 domain in mouse NIH3T3/v-Src nuclear extract preincubated for 30 mins followed by hSIE probe addition by EMSA analysis
50012355	2	ChEMBL_2057500 (CHEMBL4712501)	Inhibition of oligonucleotide [32P]-labelled 5'-AGCITCATTTCCCGTAAATCCCTA probe binding to STAT3 SH2 domain (unknown origin) preincubated for 30 mins followed by hSIE probe addition by EMSA analysis
50012355	3	ChEMBL_2057503 (CHEMBL4712504)	Binding affinity to STAT3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50012355	4	ChEMBL_2057507 (CHEMBL4712508)	Inhibition of oligonucleotide [32P]-labelled 5'-AGCITCATTTCCCGTAAATCCCTA probe binding to STAT1/STAT3 heterodimer in mouse NIH3T3 nuclear extract preincubated for 30 mins followed by hSIE probe addition by EMSA analysis
50012355	5	ChEMBL_2057508 (CHEMBL4712509)	Inhibition of oligonucleotide [32P]-labelled 5'-AGCITCATTTCCCGTAAATCCCTA probe binding to STAT1 homodimer in mouse NIH3T3 nuclear extract preincubated for 30 mins followed by hSIE probe addition by EMSA analysis
50012357	1	ChEMBL_2057545 (CHEMBL4712546)	Inhibition of mTOR in TSC1 null human MCF7 cells assessed as decrease in p70S6K phosphorylation at Thr389 residue incubated for 2 hrs by ELISA
50012357	2	ChEMBL_2057570 (CHEMBL4712571)	Inhibition of recombinant human N-terminal Myr signal and C-terminal Flag-tagged PI3K p110delta expressed in rat Rat1 cells
50012357	3	ChEMBL_2057571 (CHEMBL4712572)	Inhibition of recombinant human N-terminal Myr signal and C-terminal Flag-tagged PI3K p110beta expressed in rat Rat1 cells
50012357	4	ChEMBL_2057572 (CHEMBL4712573)	Inhibition of recombinant human N-terminal Myr signal and C-terminal Flag-tagged PI3K p110alpha expressed in rat Rat1 cells
50012357	5	ChEMBL_2057574 (CHEMBL4712575)	Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600) expressed in baculovirus infected Sf21 cells using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 15 mins followed by addition of ATP and measured after 30 mins by fluorescence polarisation assay
50012357	6	ChEMBL_2057575 (CHEMBL4712576)	Inhibition of recombinant human PI3K p110beta/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 15 mins followed by addition of ATP and measured after 30 mins by fluorescence polarisation assay
50012357	7	ChEMBL_2057576 (CHEMBL4712577)	Inhibition of recombinant human PI3K p110delta/p85alpha using phosphatidylinositol 4,5-bisphosphate as substrate preincubated for 15 mins followed by addition of ATP and measured after 30 mins by fluorescence polarisation assay
50012359	1	ChEMBL_2057630 (CHEMBL4712631)	Inhibition of human HDAC1 pre-incubated for 5 mins before substrate addition and measured after 30 mins by fluorescence based assay
50012359	2	ChEMBL_2057631 (CHEMBL4712632)	Inhibition of human HDAC6 pre-incubated for 5 mins before substrate addition and measured after 30 mins by fluorescence based assay
50012362	1	ChEMBL_2057657 (CHEMBL4712658)	Inhibition of recombinant human AChE using acetylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50012362	2	ChEMBL_2057658 (CHEMBL4712659)	Inhibition of human serum BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50012362	3	ChEMBL_2057665 (CHEMBL4712666)	Mixed-type inhibition of recombinant human AChE using varying concentration of acetylthiocholine iodide as substrate at 0.17 to 1.36 nM by Lineweaver-burk plot analysis
50012362	4	ChEMBL_2057667 (CHEMBL4712668)	Displacement of propidium iodide from PAS-region of electric eel AChE assessed as dissociation constant by spectrofluorimetric analysis
50012362	5	ChEMBL_2057699 (CHEMBL4712700)	Mixed-type inhibition of recombinant human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Cornish-Bowden plot analysis
50012362	6	ChEMBL_2057700 (CHEMBL4712701)	Mixed-type inhibition of recombinant human AChE assessed as dissociation constant for protein-substrate-compound complex using acetylthiocholine iodide as substrate by Cornish-Bowden plot analysis
50012364	1	ChEMBL_2057737 (CHEMBL4712738)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells incubated for 2 hrs followed by substrate addition and measured for 10 mins by microbeta liquid scintillation counter analysis
50012364	2	ChEMBL_2057745 (CHEMBL4712746)	Inhibition of OATP1B1 (unknown origin) mediated [3H]-estrone sulfate uptake expressed in human HepG2 cells
50012365	1	ChEMBL_2057749 (CHEMBL4712750)	Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addition and measured at 2 mins interval for 1 hr by tecan-plate reader analysis
50012365	2	ChEMBL_2057750 (CHEMBL4712751)	Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addition and measured at 2 mins interval for 1 hr by tecan-plate reader analysis
50012365	3	ChEMBL_2057751 (CHEMBL4712752)	Inhibition of full length human NAPE-PLD expressed in HEK293 cells using radiolabelled diether-NAPE as substrate incubated for 20 mins by liquid scintillation counter analysis
50012367	1	ChEMBL_2057753 (CHEMBL4712754)	Allosteric activation of recombinant human full-length ALDH2 (18 to 517 residues) expressed in Escherichia coli using acetaldehyde as substrate measured after 3 hrs in presence of NAD+ by fluorescence assay
50012368	1	ChEMBL_2057766 (CHEMBL4712767)	Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing Keap1 assessed as increase in Nrf2 nuclear translocation incubated for 6 hrs under dark condition by pathhunter assay
50012368	2	ChEMBL_2057776 (CHEMBL4712777)	Inhibition of fluorescence tracer red binding to human ERG measured after 4 hrs by fluorescence polarization assay
50012369	1	ChEMBL_2057827 (CHEMBL4712828)	Inhibition of human ERG
50012370	1	ChEMBL_2057877 (CHEMBL4712878)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by Ellman's method
50012370	2	ChEMBL_2057879 (CHEMBL4712880)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by Ellman's method
50012370	3	ChEMBL_2057880 (CHEMBL4712881)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by Ellman's method
50012370	4	ChEMBL_2057881 (CHEMBL4712882)	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by Ellman's method
50012371	1	ChEMBL_2057902 (CHEMBL4712903)	Inhibition of full-length human OGA expressed in Expi293 (HEK293) cells using 4-methylumbelliferyl-N-acetyl-beta-D-glucosaminide dihydrate as fluorogenic substrate preincubated with enzyme followed by substrate addition and measured every 5 mins for 60 mins by fluorescence based analysis
50012371	2	ChEMBL_2057905 (CHEMBL4712906)	Inhibition of OGA in human SH-SY5Y cells assessed as increase in O-GIcNAcylated protein levels incubated for 48 hrs by in-cell Western assay
50012372	1	ChEMBL_2057916 (CHEMBL4712917)	Inhibition of Tryptophan hydroxylase 1 (unknown origin)
50012372	2	ChEMBL_2057947 (CHEMBL4712948)	Inhibition of Tryptophan hydroxylase 1 (unknown origin) incubated for 4 hrs by fluorescence based assay
50012373	1	ChEMBL_2058108 (CHEMBL4713109)	Inhibition of recombinant human PDE4B using 5'-cGMP as substrate measured after 90 mins by colorimetric assay
50012374	1	ChEMBL_2058126 (CHEMBL4713127)	Partial agonist activity at full length human PPARG expressed in African green monkey COS7 cells assessed as increase in receptor activation incubated for 24 hrs by luciferase reporter assay
50012374	2	ChEMBL_2058127 (CHEMBL4713128)	Binding affinity to GST-tagged PPARG LBD (unknown origin) by Fluormone Pan-PPAR Green tracer based TR-FRET assay
50012376	1	ChEMBL_2058188 (CHEMBL4713189)	Displacement of [3H]-unlike-ifenprodil from recombinant human GluN2B expressed in L-M(TK-) cell membranes by competitive receptor binding assay
50012376	2	ChEMBL_2058189 (CHEMBL4713190)	Displacement of [3H]prazosin from alpha-1A adrenergic receptor (unknown origin)
50012376	3	ChEMBL_2058190 (CHEMBL4713191)	Displacement of [3H]RX821002 from alpha-2A adrenergic receptor (unknown origin)
50012376	4	ChEMBL_2058192 (CHEMBL4713193)	Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes
50012376	5	ChEMBL_2058193 (CHEMBL4713194)	Displacement of [3H](+)-[3H]di-o-tolylguanidine from sigma2 receptor in rat liver membranes
50012376	6	ChEMBL_2058194 (CHEMBL4713195)	Antagonist activity at human GluN2B expressed in Xenopus laevis oocytes assessed as reduction in glutamate and glycine stimulated ion flux by two-electrode voltage clamp assay
50012376	7	ChEMBL_2058196 (CHEMBL4713197)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr by radioligand binding assay
50012376	8	ChEMBL_2058197 (CHEMBL4713198)	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in CHO-K1 cells incubated for 1 hr by radioligand binding assay
50012376	9	ChEMBL_2058198 (CHEMBL4713199)	Binding affinity to 5-HT2B receptor (unknown origin) incubated for 1 hr by radioligand binding assay
50012376	10	ChEMBL_2058199 (CHEMBL4713200)	Binding affinity to 5-HT2C receptor (unknown origin) incubated for 1 hr by radioligand binding assay
50012376	11	ChEMBL_2058200 (CHEMBL4713201)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by radioligand binding assay
50012376	12	ChEMBL_2058201 (CHEMBL4713202)	Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr by radioligand binding assay
50012377	1	ChEMBL_2058204 (CHEMBL4713205)	Binding affinity to HSP90-beta (unknown origin)
50012377	2	ChEMBL_2058205 (CHEMBL4713206)	Inhibition of FITC-GDA binding to human HSP90-beta incubated for 2 hrs by fluorescence polarization assay
50012377	3	ChEMBL_2058206 (CHEMBL4713207)	Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs by fluorescence polarization assay
50012377	4	ChEMBL_2058207 (CHEMBL4713208)	Inhibition of FITC-GDA binding to dog GRP94 incubated for 2 hrs by fluorescence polarization assay
50012377	5	ChEMBL_2058208 (CHEMBL4713209)	Inhibition of FITC-GDA binding to human TRAP1 incubated for 2 hrs by fluorescence polarization assay
50012378	1	ChEMBL_2058238 (CHEMBL4713239)	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measured after 30 mins by Lanthascreen TR-FRET assay
50012378	2	ChEMBL_2058239 (CHEMBL4713240)	Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measured after 30 mins by Lanthascreen TR-FRET assay
50012378	3	ChEMBL_2058240 (CHEMBL4713241)	Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measured after 30 mins by Lanthascreen TR-FRET assay
50012378	4	ChEMBL_2058241 (CHEMBL4713242)	Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measured after 30 mins by Lanthascreen TR-FRET assay
50012378	5	ChEMBL_2058338 (CHEMBL4713339)	Inhibition of recombinant human FLT1 (783 to end residues) assessed as residual activity using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of Km ATP by radiometric scintillation counting analysis
50012378	6	ChEMBL_2058347 (CHEMBL4713348)	Inhibition of JAK1 pathway in human TF-1 cells assessed as decrease in IL6-induced STAT3 phosphorylation preincubated for 30 mins followed by IL-6 stimulation and measured after 30 mins by immunoassay
50012378	7	ChEMBL_2058348 (CHEMBL4713349)	Inhibition of JAK2 pathway in human TF-1 cells assessed as decrease in IL3-induced STAT5 phosphorylation preincubated for 1 hr followed by IL-3 stimulation and measured after 20 mins by immunoassay
50012379	1	ChEMBL_2058359 (CHEMBL4713360)	Inhibition of recombinant human GST-tagged EGFR T790M/L858R double mutant (668 to 1210 residues) expressed in baculovirus expression system using Tyr 4 as substrate incubated for 60 mins by Z'-Lyte assay
50012379	2	ChEMBL_2058360 (CHEMBL4713361)	Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system using tyrosine 4 peptide as substrate after 60 mins in presence of ATP FRET based Z'-LYTE assay
50012379	3	ChEMBL_2058361 (CHEMBL4713362)	Inhibition of recombinant human GST-tagged EGFR expressed in baculovirus expression system using tyr-04 peptide as substrate incubated for 60 mins in presence of ATP by Z'-LYTE assay
50012379	4	ChEMBL_2058425 (CHEMBL4713426)	Inhibition of EGFR (unknown origin)
50012379	5	ChEMBL_2058430 (CHEMBL4713431)	Inhibition of VEGFR1 (unknown origin)
50012379	6	ChEMBL_2058431 (CHEMBL4713432)	Inhibition of VEGFR2 (unknown origin)
50012379	7	ChEMBL_2058432 (CHEMBL4713433)	Inhibition of VEGFR3 (unknown origin)
50012379	8	ChEMBL_2058433 (CHEMBL4713434)	Inhibition of RET (unknown origin)
50012379	9	ChEMBL_2058434 (CHEMBL4713435)	Inhibition of MET (unknown origin)
50012379	10	ChEMBL_2058435 (CHEMBL4713436)	Inhibition of KIT (unknown origin)
50012379	11	ChEMBL_2058436 (CHEMBL4713437)	Inhibition of FLT1 (unknown origin)
50012379	12	ChEMBL_2058437 (CHEMBL4713438)	Inhibition of FLT2 (unknown origin)
50012379	13	ChEMBL_2058438 (CHEMBL4713439)	Inhibition of FLT3 (unknown origin)
50012379	14	ChEMBL_2058439 (CHEMBL4713440)	Inhibition of TIE2 (unknown origin)
50012379	15	ChEMBL_2058440 (CHEMBL4713441)	Inhibition of AXL (unknown origin)
50012383	1	ChEMBL_2058442 (CHEMBL4713443)	Binding affinity to beta1 adrenoceptor (unknown origin)
50012383	2	ChEMBL_2058443 (CHEMBL4713444)	Binding affinity to beta2 adrenoceptor (unknown origin)
50012383	3	ChEMBL_2058444 (CHEMBL4713445)	Binding affinity to 5HT1A receptor (unknown origin)
50012385	1	ChEMBL_2058463 (CHEMBL4713464)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation by FRET assay
50012385	2	ChEMBL_2058464 (CHEMBL4713465)	Agonist activity at human NPY2R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay
50012385	3	ChEMBL_2058465 (CHEMBL4713466)	Agonist activity at human NPY1R expressed in HEK293 cells assessed as inhibition of adenosine-induced stimulation of cAMP accumulation by FRET assay
50012385	4	ChEMBL_2058466 (CHEMBL4713467)	Agonist activity at rat glucagon receptor expressed in HEK293 cells assessed as stimulation of cAMP accumulation by FRET assay
50012385	5	ChEMBL_2058469 (CHEMBL4713470)	Agonist activity at rat GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation by FRET assay
50012385	6	ChEMBL_2058470 (CHEMBL4713471)	Displacement of GLP-1-red from human GLP-1R expressed in CHO-K1 cells by fluorescent competitive binding assay
50012390	1	ChEMBL_2058553 (CHEMBL4713554)	Inhibition of ABCG2 (unknown origin) expressed in MDCK-II cells assessed as reduction in pheophorbide A efflux measured after 2 hrs by flow cytometry
50012390	2	ChEMBL_2058555 (CHEMBL4713556)	Inhibition of ABCB1 (unknown origin) expressed in human A2780 ADR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed by calcein AM addition and measured at 60 secs interval for 1 hr by fluorescence assay
50012390	3	ChEMBL_2058556 (CHEMBL4713557)	Inhibition of ABCC1 (unknown origin) expressed in human NCI-H69AR cells assessed as reduction in calcein AM efflux preincubated for 30 mins followed by calcein AM addition and measured at 60 secs interval for 1 hr by fluorescence assay
50012390	4	ChEMBL_2058572 (CHEMBL4713573)	Inhibition of ABCG2 (unknown origin) expressed in MDCK-II cells assessed as potentiation of SN-38-induced cytotoxicity measured after 72 hrs by MTT assay
50012390	5	ChEMBL_2058573 (CHEMBL4713574)	Inhibition of ABCB1 (unknown origin) expressed in human A2780 ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay
50012391	1	ChEMBL_2058576 (CHEMBL4713577)	Binding affinity to human thrombin
50012393	1	ChEMBL_2058584 (CHEMBL4713585)	Inhibition of N-terminal GST tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Sf21 cells by mobility shift assay
50012393	2	ChEMBL_2058585 (CHEMBL4713586)	Inhibition of IGF1R (unknown origin)
50012393	3	ChEMBL_2058586 (CHEMBL4713587)	Inhibition of INSR (unknown origin)
50012393	4	ChEMBL_2058587 (CHEMBL4713588)	Inhibition of FLT3 (unknown origin)
50012393	5	ChEMBL_2058588 (CHEMBL4713589)	Inhibition of FGFR2 (unknown origin)
50012393	6	ChEMBL_2058591 (CHEMBL4713592)	Covalent inhibition of N-terminal GST tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in Sf21 cells incubated for 2 hrs in presence of high ATP levels
50012395	1	ChEMBL_2058656 (CHEMBL4713657)	Inhibition of human topoisomerase 1
50012396	1	ChEMBL_2058682 (CHEMBL4713683)	Inhibition of syntenin-PDZ1-2 domain (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 5 mins by fluorescence polarization assay
50012396	2	ChEMBL_2058683 (CHEMBL4713684)	Binding affinity to syntenin-PDZ1-2 domain (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis
50012397	1	ChEMBL_2058716 (CHEMBL4713717)	Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK293 cells expressing SIE-luc2P preincubated for overnight followed by IL-6 stimulation and measured after 24 hr by Bio-Glo luciferase reagent based microplate reader assay
50012398	1	ChEMBL_2058833 (CHEMBL4713834)	Inhibition of recombinant His-tagged PGAM1 (unknown origin) expressed in Escherichia coli BL21 using 3-PG as substrate in presence of ADP by Kinase-Glo max luminescent assay
50012398	2	ChEMBL_2058834 (CHEMBL4713835)	Inhibition of recombinant PGAM1 (unknown origin) using 3-PG as substrate incubated for 2 mins in presence of ADP by microplate reader assay
50012398	3	ChEMBL_2058835 (CHEMBL4713836)	Inhibition of PGAM1 (unknown origin)
50012399	1	ChEMBL_2058916 (CHEMBL4713917)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Amplex red reagent based fluorescence analysis
50012399	2	ChEMBL_2058917 (CHEMBL4713918)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 30 mins by Amplex red reagent based fluorescence analysis
50012402	1	ChEMBL_2059009 (CHEMBL4714010)	Inhibition of C-terminal His/Flag-tagged human HDAC1 (1 to 482 residues) expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate and trypsin addition and further incubated for 60 mins
50012402	2	ChEMBL_2059010 (CHEMBL4714011)	Inhibition of human HDAC2 expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate and trypsin addition and further incubated for 60 mins
50012402	3	ChEMBL_2059011 (CHEMBL4714012)	Inhibition of human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 expressed in baculovirus infected Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate and trypsin addition and further incubated for 60 mins
50012402	4	ChEMBL_2059012 (CHEMBL4714013)	Inhibition of full length human C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and incubated for 120 mins followed by trypsin addition and further incubated for 240 mins
50012402	5	ChEMBL_2059013 (CHEMBL4714014)	Inhibition of human HDAC6 using Ac-peptide as substrate preincubated for 15 mins followed by substrate and trypsin addition and further incubated for 60 mins
50012402	6	ChEMBL_2059014 (CHEMBL4714015)	Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and incubated for 240 mins followed by trypsin addition and further incubated for 120 mins
50012403	1	ChEMBL_2059038 (CHEMBL4714039)	Binding affinity to HSP90-alpha (unknown origin) expressed in Escherichia coli BL21 by SPR assay
50012403	2	ChEMBL_2059058 (CHEMBL4714059)	Binding affinity to HSP90-beta (unknown origin) expressed in Escherichia coli BL21 by SPR assay
50012403	3	ChEMBL_2059059 (CHEMBL4714060)	Inhibition of HSP90-alpha (unknown origin) expressed in Escherichia coli BL21 assessed as reduction in ATPase activity in presence of PEP, NADH and ATP by pyruvate kinase/lactic dehydrogenase based coupled enzyme assay
50012403	4	ChEMBL_2059060 (CHEMBL4714061)	Inhibition of HSP90-beta (unknown origin) expressed in Escherichia coli BL21 assessed as reduction in ATPase activity in presence of PEP, NADH and ATP by pyruvate kinase/lactic dehydrogenase based coupled enzyme assay
50012404	1	ChEMBL_2059097 (CHEMBL4714098)	Binding affinity to purified recombinant human sEH by FRET-displacement assay
50012405	1	ChEMBL_2059119 (CHEMBL4714120)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as reduction in benzoyl-ATP-induced YO-PRO-1 dye uptake pre-incubated for 20 mins before YO-PRO-1 addition and measured after 25 mins by fluorescence plate reader analysis relative to control
50012405	2	ChEMBL_2059122 (CHEMBL4714123)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as reduction in benzoyl-ATP-induced intracellular Ca2+ level by Fura-2 dye based fluorescence assay
50012406	1	ChEMBL_2059132 (CHEMBL4714133)	Stabilization of human JAK2 KD expressed in Expi293F (HEK293F) cells assessed as increase in JAK2 protein levels incubated for 3 mins by isothermal dose response assay
50012406	2	ChEMBL_2059134 (CHEMBL4714135)	Inhibition of human JAK2 by radiometric assay
50012408	1	ChEMBL_2059145 (CHEMBL4714146)	Inhibition of FAP (unknown origin) using AMC substrate by fluorometric assay
50012408	2	ChEMBL_2059146 (CHEMBL4714147)	Inhibition of DPP4 (unknown origin) using AMC substrate by fluorometric assay
50012408	3	ChEMBL_2059147 (CHEMBL4714148)	Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay
50012408	4	ChEMBL_2059148 (CHEMBL4714149)	Inhibition of DPP2 (unknown origin) using AMC substrate by fluorometric assay
50012408	5	ChEMBL_2059149 (CHEMBL4714150)	Inhibition of DPP9 (unknown origin) using AMC substrate by fluorometric assay
50012410	1	ChEMBL_2059155 (CHEMBL4714156)	Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method
50012410	2	ChEMBL_2059156 (CHEMBL4714157)	Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50012410	3	ChEMBL_2059157 (CHEMBL4714158)	Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method
50012410	4	ChEMBL_2059158 (CHEMBL4714159)	Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after 90 mins by scintillation counting method
50012410	5	ChEMBL_2059167 (CHEMBL4714168)	Inhibition of human ERG
50012412	1	ChEMBL_2059191 (CHEMBL4714192)	Protac activity at CRBN/IKZF1 (unknown origin) assessed as IKZF1 degradation
50012412	2	ChEMBL_2059206 (CHEMBL4714207)	Inhibition of human ERG
50012412	3	ChEMBL_2059209 (CHEMBL4714210)	Inhibition of CYP2C19 (unknown origin)
50012413	1	ChEMBL_2059231 (CHEMBL4714232)	Inhibition of recombinant human N-terminal His6-tagged ACC1 expressed in baculovirus infected Sf9 insect cells using acetyl-CoA as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50012413	2	ChEMBL_2059232 (CHEMBL4714233)	Inhibition of recombinant human N-terminal His6-tagged ACC2 expressed in baculovirus infected Sf9 insect cells using acetyl-CoA as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins Rapidfire-Mass spectrometry
50012414	1	ChEMBL_2059249 (CHEMBL4714250)	Inhibition of human ALK2 R206H mutant using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot assay
50012415	1	ChEMBL_2059258 (CHEMBL4714259)	Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP
50012415	2	ChEMBL_2059259 (CHEMBL4714260)	Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP
50012415	3	ChEMBL_2059260 (CHEMBL4714261)	Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP
50012415	4	ChEMBL_2059261 (CHEMBL4714262)	Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP
50012415	5	ChEMBL_2059262 (CHEMBL4714263)	Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubation
50012415	6	ChEMBL_2059263 (CHEMBL4714264)	Inhibition of BTK (unknown origin) One-hour enzymatic assay with pre-incubation
50012415	7	ChEMBL_2059264 (CHEMBL4714265)	Inhibition of human BTK in human microglia cells
50012415	8	ChEMBL_2059265 (CHEMBL4714266)	Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA
50012415	9	ChEMBL_2059266 (CHEMBL4714267)	Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA
50012415	10	ChEMBL_2059267 (CHEMBL4714268)	Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA
50012415	11	ChEMBL_2059268 (CHEMBL4714269)	Inhibition of human Tyk2 using Biotin-Lyn-Substrate-2 in presence of 1 mM ATP by phosphotyrosine-specific ELISA
50012417	1	ChEMBL_2059269 (CHEMBL4714270)	Inhibition of recombinant human carbonic anhydrase 1 by stopped flow CO2 hydrase assay
50012417	2	ChEMBL_2059270 (CHEMBL4714271)	Inhibition of recombinant human carbonic anhydrase 2 by stopped flow CO2 hydrase assay
50012417	3	ChEMBL_2059271 (CHEMBL4714272)	Inhibition of recombinant human carbonic anhydrase 9 by stopped flow CO2 hydrase assay
50012417	4	ChEMBL_2059272 (CHEMBL4714273)	Inhibition of recombinant human carbonic anhydrase 13 by stopped flow CO2 hydrase assay
50012418	1	ChEMBL_2059282 (CHEMBL4714283)	Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells by IP3 accumulation assay
50012418	2	ChEMBL_2059283 (CHEMBL4714284)	Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells by IP3 accumulation assay
50012418	3	ChEMBL_2059286 (CHEMBL4714287)	Agonist activity at 5-HT2CR (unknown origin) transfected in human HEK293 cells by IP3 accumulation assay
50012418	4	ChEMBL_2059287 (CHEMBL4714288)	Displacement of [125I]-DOI from recombinant human 5HT2CR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay
50012418	5	ChEMBL_2059288 (CHEMBL4714289)	Displacement of [3H]-LSB from recombinant human 5HT2BR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay
50012418	6	ChEMBL_2059289 (CHEMBL4714290)	Displacement of [3H]-DOI from recombinant human 5HT2AR transfected in human HEK293 cells incubated for 45 mins by radioligand binding assay
50012419	1	ChEMBL_2059297 (CHEMBL4714298)	Displacement of [3H]CP55940 from rat brain CB1 receptor by scintillation counting method
50012419	2	ChEMBL_2059298 (CHEMBL4714299)	Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membrane by scintillation counting method
50012419	3	ChEMBL_2059299 (CHEMBL4714300)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membrane by scintillation counting method
50012419	4	ChEMBL_2059300 (CHEMBL4714301)	Agonist activity at rat brain CB1 receptor assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer addition and measured after 60 mins
50012419	5	ChEMBL_2059301 (CHEMBL4714302)	Agonist activity at rat brain CB1 receptor assessed as inhibition of forskolin-stimulated cAMP level at 500 nM stimulated for 30 mins followed by Eu-cAMP tracer addition and measured after 60 mins relative to control
50012419	6	ChEMBL_2059302 (CHEMBL4714303)	Agonist activity at human CB2 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer addition and measured after 60 mins
50012421	1	ChEMBL_2059376 (CHEMBL4714377)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50012421	2	ChEMBL_2059377 (CHEMBL4714378)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50012421	3	ChEMBL_2059378 (CHEMBL4714379)	Inhibition of rat serum BuChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50012421	4	ChEMBL_2059382 (CHEMBL4714383)	Competitive inhibition of Electrophorus electricus AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 15 mins by Ellman's method based Lineweaver-Burk plot analysis
50012421	5	ChEMBL_2059383 (CHEMBL4714384)	Inhibition of recombinant human MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50012421	6	ChEMBL_2059384 (CHEMBL4714385)	Inhibition of recombinant human MAOB using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50012422	1	ChEMBL_2059412 (CHEMBL4714413)	Inhibition of EGFR in human A431 cells preincubated for 60 mins followed by EGF stimulation and measured after 10 mins by ELISA
50012422	2	ChEMBL_2059413 (CHEMBL4714414)	Inhibition of VEGFR2 in human U251 cells preincubated for 60 mins followed by VEGF stimulation and measured after 10 mins by ELISA
50012422	3	ChEMBL_2059414 (CHEMBL4714415)	Inhibition of PDGFRbeta in human SH-SY5Y cells preincubated for 60 mins followed by PDGF stimulation and measured after 10 mins by ELISA
50012423	1	ChEMBL_2059436 (CHEMBL4714437)	Inhibition of recombinant human N-terminal GST-tagged EGFR T790M/L858R double mutant using biotinylated TK peptide as substrate measured after 30 mins by HTRF assay
50012423	2	ChEMBL_2059437 (CHEMBL4714438)	Inhibition of wild-type EGFR (unknown origin) using biotinylated TK peptide as substrate measured after 30 mins by HTRF assay
50012424	1	ChEMBL_2059505 (CHEMBL4714506)	Inhibition of recombinant human full-length C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf9 insect cells using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50012424	2	ChEMBL_2059506 (CHEMBL4714507)	Inhibition of recombinant human full-length N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected Sf9 insect cells using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50012425	1	ChEMBL_2059518 (CHEMBL4714519)	Inhibition of C-terminal His6-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE) using alpha-ketoglutarate as substrate preincubated for 10 mins followed by substrate addition and measured at 1 min interval for 20 mins in presence of NADPH
50012425	2	ChEMBL_2059519 (CHEMBL4714520)	Inhibition of wild-type IDH1 (unknown origin) in presence of sodium(D)-isocitrate and NADP+
50012425	3	ChEMBL_2059520 (CHEMBL4714521)	Binding affinity to C-terminal His6-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 20 mins by Red-NHS fluorescence dye-based microscale thermophoresis analysis
50012428	1	ChEMBL_2059579 (CHEMBL4714580)	Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Srctide as substrate measured after 1 hr by mobility shift assay
50012428	2	ChEMBL_2059580 (CHEMBL4714581)	Inhibition of human N-terminal GST-fused ALK L1196M mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Srctide as substrate measured after 1 hr by mobility shift assay
50012428	3	ChEMBL_2059581 (CHEMBL4714582)	Inhibition of human N-terminal GST-fused ALK G1202R mutant cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 insect cells using Srctide as substrate measured after 1 hr by mobility shift assay
50012428	4	ChEMBL_2059582 (CHEMBL4714583)	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus infected Sf21 insect cells using Srctide as substrate measured after 1 hr by mobility shift assay
50012428	5	ChEMBL_2059583 (CHEMBL4714584)	Inhibition of N-terminal GST-tagged human FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus infected Sf21 insect cells using Srctide as substrate measured after 1 hr by mobility shift assay
50012429	1	ChEMBL_2059595 (CHEMBL4714596)	Inhibition of human RFC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-blue assay
50012429	2	ChEMBL_2059597 (CHEMBL4714598)	Inhibition of human FRalpha expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-blue assay
50012429	3	ChEMBL_2059598 (CHEMBL4714599)	Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-blue assay
50012429	4	ChEMBL_2059599 (CHEMBL4714600)	Inhibition of human PCFT expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter-blue assay
50012429	5	ChEMBL_2059607 (CHEMBL4714608)	Inhibition of human full length N-terminal His-tagged ATIC expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in THF formation using 10-CHOTHF as substrate by spectrophotometric method
50012431	1	ChEMBL_2059664 (CHEMBL4714665)	Inhibition of ovine COX-1 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012431	2	ChEMBL_2059665 (CHEMBL4714666)	Inhibition of human recombinant COX-2 assessed as reduction in PGE2 production using 10 uM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012431	3	ChEMBL_2059667 (CHEMBL4714668)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 250 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012431	4	ChEMBL_2059668 (CHEMBL4714669)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 1250 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012431	5	ChEMBL_2059669 (CHEMBL4714670)	Competitive inhibition of ovine COX-1 assessed as reduction in PGE2 production using 6250 nM arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50012432	1	ChEMBL_2059671 (CHEMBL4714672)	Orthosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment incubated for 60 mins by TR-FRET assay
50012432	2	ChEMBL_2059672 (CHEMBL4714673)	Orthosteric agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as increase in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment incubated for 60 mins by TR-FRET assay
50012432	3	ChEMBL_2059673 (CHEMBL4714674)	Allosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment incubated for 60 mins by TR-FRET assay
50012432	4	ChEMBL_2059679 (CHEMBL4714680)	Allosteric inverse agonist activity at 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-o-tolylbenzamide incubated for 60 mins by TR-FRET assay
50012432	5	ChEMBL_2059681 (CHEMBL4714682)	Allosteric inverse agonist activity at 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide incubated for 60 mins by TR-FRET assay
50012432	6	ChEMBL_2059683 (CHEMBL4714684)	Allosteric inverse agonist activity at 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide incubated for 60 mins by TR-FRET assay
50012432	7	ChEMBL_2059690 (CHEMBL4714691)	Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-o-tolylbenzamide incubated for 60 mins by TR-FRET assay
50012432	8	ChEMBL_2059691 (CHEMBL4714692)	Orthosteric inverse agonist activity at 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide incubated for 60 mins by TR-FRET assay
50012432	9	ChEMBL_2059692 (CHEMBL4714693)	Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in coactivator, N-terminal biotinylated SRC-1 box2 peptide recruitment in presence of 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide incubated for 60 mins by TR-FRET assay
50012433	1	ChEMBL_2059709 (CHEMBL4714710)	Inhibition of recombinant human C-terminal His6-tagged ATX expressed in baculovirus infected Sf21 insect cells using LPC as substrate incubated for 2 hrs by rapidFire based MS/MS analysis
50012434	1	ChEMBL_2059710 (CHEMBL4714711)	Inhibition of recombinant human GST tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using fluorescein-labeled LRRKtide as substrate preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET based Lanthascreen assay
50012436	1	ChEMBL_2059712 (CHEMBL4714713)	Inhibition of full length N-terminal His-tagged human NNMT using nicotinamide as substrate incubated for 2 hrs in presence of S-5'adenosyl-L-methionine by RapidFire Mass spectroscopy
50012436	2	ChEMBL_2059713 (CHEMBL4714714)	Inhibition of mouse NNMT using nicotinamide as substrate incubated for 2 hrs in presence of S-5'adenosyl-L-methionine by RapidFire Mass spectroscopy
50012437	1	ChEMBL_2059731 (CHEMBL4714732)	Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein (437 to 504 residues) expressed in baculovirus expression system using fluorescein-MAP2K1 as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins in presence of ATP by lanthascreen TR-FRET assay
50012437	2	ChEMBL_2059732 (CHEMBL4714733)	Binding affinity to wild-type human partial length TAK1 (M1 to Q303 residues) expressed in mammalian expression system by Kinomescan method
50012439	1	ChEMBL_2059753 (CHEMBL4714754)	Inhibition of human TRPC3 expressed in HEK293 cells assessed as inhibition of GSK170-induced current in absence of extracellular calcium by whole cell patch-clamp method
50012439	2	ChEMBL_2059754 (CHEMBL4714755)	Inhibition of human TRPC3 expressed in HEK293 cells assessed as inhibition of GSK170-induced current in presence of 2 mM extracellular calcium by whole cell patch-clamp method
50012439	3	ChEMBL_2059770 (CHEMBL4714771)	Inhibition of mouse TRPC3 expressed in HEK293 cells assessed as inhibition of Ca2+ influx by whole cell patch-clamp method
50012443	1	ChEMBL_2059777 (CHEMBL4714778)	Inhibition of recombinant wild type human KNa1.1 expressed in human HEK-TREX cells at -80 mV holding potential by automated patch clamp assay
50012443	2	ChEMBL_2059778 (CHEMBL4714779)	Inhibition of recombinant wild type mouse KNa1.1 expressed in human HEK-TREX cells at -80 mV holding potential by automated patch clamp assay
50012443	3	ChEMBL_2059783 (CHEMBL4714784)	Inhibition of recombinant rat KNa1.1 expressed in human HEK-TREX cells at -80 mV holding potential by automated patch clamp assay
50012443	4	ChEMBL_2059788 (CHEMBL4714789)	Inhibition of human ERG by patch clamp analysis
50012443	5	ChEMBL_2059789 (CHEMBL4714790)	Inhibition of human Nav1.5 by patch clamp analysis
50012443	6	ChEMBL_2059790 (CHEMBL4714791)	Inhibition of Cav1.2 (unknown origin) by patch clamp analysis
50012443	7	ChEMBL_2059791 (CHEMBL4714792)	Inhibition of Iks (unknown origin) by patch clamp analysis
50012443	8	ChEMBL_2059792 (CHEMBL4714793)	Inhibition of BK (unknown origin) by patch clamp analysis
50012443	9	ChEMBL_2059793 (CHEMBL4714794)	Inhibition of KCNT2 (unknown origin) by patch clamp analysis
50012444	1	ChEMBL_2059816 (CHEMBL4714817)	Inhibition of 5-(3-((1r,4r)-4-((5S,8S,11S,14S,17S,20S,29S)-11-((1H-imidazol-4-yl)methyl)-1,33-diamino-5-carbamoyl-17-(4-(4-(4-((4-(dimethylamino)phenyl)diazenyl)phenyl)butanamido)butyl)-8,14-bis(3-guanidinopropyl)-20-methyl-7,10,13,16,19,22,25,28-octaoxo-6,9,12,15,18,21,24,27-octaazatritriacontan-29-ylcarbamoyl)cyclohexyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid binding to SIRT2 (unknown origin) measured after 2 hrs in presence of NAD+ by fluorometric method
50012444	2	ChEMBL_2059817 (CHEMBL4714818)	Inhibition of 5-[[(1r,4r)-4-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S,2R)-1-[[2-(carboxymethylamino)-2-oxoethyl]carbamoyl]-2-hydroxypropyl]amino]-1-(hydroxymethyl)-2-oxoethyl]carbamoyl]-5-[3-[N-methyl-4-[(4-nitrophenyl)azo]anilino]propanoylamino]pentyl]carbamoyl]-4-guanidinobutyl]amino]-1-methyl-2-oxoethyl]carbamoyl]-2-hydroxypropyl]carbamoyl]-4-oxobutyl]carbamoyl]cyclohexyl]carbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid binding to SIRT2 (unknown origin) measured after 2 hrs in presence of NAD+ by fluorometric method
50012444	3	ChEMBL_2059819 (CHEMBL4714820)	Inhibition of p53(Myr)-AMC binding to SIRT2 (unknown origin) incubated for 3 hrs in presence of NAD+ followed by trypsin addition and measured at 5 mins interval for 20 mins by fluorometric method
50012444	4	ChEMBL_2059823 (CHEMBL4714824)	Inhibition of SIRT2 deacetylation activity (unknown origin) using FLUOR DE LYS SIRT2 peptide as substrate incubated for 2 hrs in presence of NAD+ measured at 5 mins interval for 20 mins by fluorescence assay
50012445	1	ChEMBL_2059827 (CHEMBL4714828)	Inhibition of recombinant human His-tagged FGFR4 (781 to 1338 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate incubated for 1 hr in presence of ATP by Z'-LYTE assay
50012445	2	ChEMBL_2059828 (CHEMBL4714829)	Inhibition of recombinant human His-tagged FGFR1 (308 to 731 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 01 as substrate incubated for 1 hr in presence of ATP by Z'-Lyte assay
50012445	3	ChEMBL_2059829 (CHEMBL4714830)	Inhibition of recombinant human His-tagged FGFR2 (403 to 822 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50012445	4	ChEMBL_2059830 (CHEMBL4714831)	Inhibition of recombinant human His-tagged FGFR3 (399 to 806 residues) cytoplasmic domain expressed in baculovirus expression system using Tyr 04 peptide as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50012445	5	ChEMBL_2059833 (CHEMBL4714834)	Inhibition of FGFR4 C552A mutant (unknown origin)
50012446	1	ChEMBL_2059841 (CHEMBL4714842)	Positive allosteric modulation of recombinant human muscarinic M1 receptor co-expressing pCRE-Luc reporter gene in CHO cells assessed as stimulation of luciferase activity in presence of acetylcholine substrate measured after 4 hrs by luciferase reporter gene assay
50012447	1	ChEMBL_2059843 (CHEMBL4714844)	Inhibition of SHP2 (unknown origin) assessed as conversion of DiFMUP to DiFMU measured for 30 mins by fluorescence assay
50012449	1	ChEMBL_2059847 (CHEMBL4714848)	Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 15 mins followed by ATP addition and further incubated for 15 mins and measured after 80 mins by ADP-Glo reagent based assay
50012450	1	ChEMBL_2059848 (CHEMBL4714849)	Inhibition of ROCK2 (unknown origin) using KRRRLSSLRA as substrate incubated for 75 mins in presence of ATP and DTT by Kinase-Glo luminescent assay
50012453	1	ChEMBL_2059881 (CHEMBL4714882)	Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6 cells assessed as secreted embryonic alkaline phosphatase reporter gene expression measured after 20 hrs by microplate reader
50012453	2	ChEMBL_2059917 (CHEMBL4714918)	Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6 cells assessed as secreted embryonic alkaline phosphatase reporter gene expression by microplate reader
50012455	1	ChEMBL_2059983 (CHEMBL4714984)	Inhibition of TGFbeta receptor 2 (unknown origin) using biotin-labelled TTLKDLIYDMTTSGSGSGLPLLVQRTIARTsubstrate in presence of [gamma33P] ATP measured after 50 min
50012455	2	ChEMBL_2059984 (CHEMBL4714985)	Inhibition of ACVR2A (unknown origin) using biotin- labelled KTLQDLVYDLSTSGSGSGLPLFVQRTVART substrate in presence of [gamma33P] ATP measured after 20 min
50012455	3	ChEMBL_2059985 (CHEMBL4714986)	Inhibition of ALK5 (unknown origin) using biotin-labelled KKKVLTQMGSPSIRCSpSVS substrate in presence of [gamma33P] ATP measured after 40 min
50012455	4	ChEMBL_2059992 (CHEMBL4714993)	Inhibition of human ERG expressed in HEK293 cells measured by whole cell patch clamp method
50012455	5	ChEMBL_2059999 (CHEMBL4715000)	Inhibition of CYP3A4 in human liver microsomes
50012455	6	ChEMBL_2060000 (CHEMBL4715001)	Inhibition of CYP2C8 in human liver microsomes
50012455	7	ChEMBL_2060001 (CHEMBL4715002)	Inhibition of CYP2D6 in human liver microsomes
50012455	8	ChEMBL_2060002 (CHEMBL4715003)	Inhibition of CYP1A2 in human liver microsomes
50012455	9	ChEMBL_2060003 (CHEMBL4715004)	Inhibition of CYP2C19 in human liver microsomes
50012455	10	ChEMBL_2060004 (CHEMBL4715005)	Inhibition of CYP2C9 in human liver microsomes
50012460	1	ChEMBL_2060034 (CHEMBL4715035)	Antagonist activity at recombinant human TRPM8 stably expressed in HEK293 cells assessed as inhibition of menthol-induced intracellular calcium level by Fluo-4NW probe based fluorescence assay
50012460	2	ChEMBL_2060035 (CHEMBL4715036)	Antagonist activity at recombinant human TRPM8 stably expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level by Fluo-4NW probe based fluorescence assay
50012460	3	ChEMBL_2060036 (CHEMBL4715037)	Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of menthol-induced intracellular calcium level by Fluo-4NW probe based fluorescence assay
50012460	4	ChEMBL_2060037 (CHEMBL4715038)	Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level by Fluo-4NW probe based fluorescence assay
50012460	5	ChEMBL_2060038 (CHEMBL4715039)	Antagonist activity at recombinant human TRPM8 transiently expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux by whole-cell patch-clamp electrophysiological method
50012460	6	ChEMBL_2060061 (CHEMBL4715062)	Antagonist activity at recombinant rat TRPM8 stably expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level preincubated for 5 mins followed by icilin addition by Fluo-4Am dye based fluorescence assay
50012460	7	ChEMBL_2060062 (CHEMBL4715063)	Agonist activity at recombinant rat TRPA1 stably expressed in HEK293 cells assessed as increase in intracellular calcium release by Fluo-4AM dye based fluorescence assay
50012461	1	ChEMBL_2060071 (CHEMBL4715072)	Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 90 mins by DELFIA assay
50012461	2	ChEMBL_2060072 (CHEMBL4715073)	Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 90 mins by DELFIA assay
50012463	1	ChEMBL_2060095 (CHEMBL4715096)	Inhibition of COX1 (unknown origin)
50012463	2	ChEMBL_2060096 (CHEMBL4715097)	Inhibition of COX2 (unknown origin)
50012463	3	ChEMBL_2060097 (CHEMBL4715098)	Inhibition of recombinant ovine COX1
50012463	4	ChEMBL_2060098 (CHEMBL4715099)	Inhibition of recombinant human COX2
50012463	5	ChEMBL_2060100 (CHEMBL4715101)	Inhibition of COX1 in human OVCAR-3 cells assessed as reduction in PGE2 level incubated for 30 mins by ELISA
50012464	1	ChEMBL_2060110 (CHEMBL4715111)	Inhibition of FITC-RIP140 peptide binding to N-terminal His-tagged human GST-ERRalpha-LBD (290 to 519 residues) expressed in Escherichia coli incubated for 4 hrs by fluorescence polarization assay
50012464	2	ChEMBL_2060111 (CHEMBL4715112)	Agonist activity at recombinant full-length human ERRalpha expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dual-Glo luciferase assay
50012464	3	ChEMBL_2060113 (CHEMBL4715114)	Agonist activity at full-length PPARgamma (unknown origin) expressed in MG63 cells assessed as transcriptional activation incubated for 18 hrs by dual-Glo luciferase assay
50012467	1	ChEMBL_2060118 (CHEMBL4715119)	Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay
50012467	2	ChEMBL_2060119 (CHEMBL4715120)	Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A production measured by ELISA
50012467	3	ChEMBL_2060126 (CHEMBL4715127)	Inhibition of CYP2C8 (unknown origin)
50012467	4	ChEMBL_2060127 (CHEMBL4715128)	Inhibition of CYP2C9 (unknown origin)
50012467	5	ChEMBL_2060128 (CHEMBL4715129)	Inhibition of CYP2C19 (unknown origin)
50012467	6	ChEMBL_2060129 (CHEMBL4715130)	Inhibition of CYP3A4 (unknown origin)
50012467	7	ChEMBL_2060179 (CHEMBL4715180)	Inhibition of RORalpha (unknown origin)
50012467	8	ChEMBL_2060180 (CHEMBL4715181)	Inhibition of RORbeta (unknown origin)
50012467	9	ChEMBL_2060181 (CHEMBL4715182)	Inhibition of PXR (unknown origin)
50012467	10	ChEMBL_2060182 (CHEMBL4715183)	Inhibition of LXRalpha (unknown origin)
50012467	11	ChEMBL_2060183 (CHEMBL4715184)	Inhibition of LXRbeta (unknown origin)
50012468	1	ChEMBL_2060190 (CHEMBL4715191)	Antagonist activity in CXCR2 (unknown origin) expressed in human HEK293 cells co-expressing Galpha16 assessed as reduction in calcium immobilization pretreated with Fluo-4AM for 45 mins followed by compound addition and measured after 10 mins by Fluo-4AM dye based fluorescence assay
50012468	2	ChEMBL_2060191 (CHEMBL4715192)	Antagonist activity in CXCR1 (unknown origin) expressed in human HEK293 cells co-expressing Galpha16 assessed as reduction in calcium immobilization pretreated with Fluo-4AM for 45 mins followed by compound addition and measured after 10 mins by Fluo-4AM dye based fluorescence assay
50012468	3	ChEMBL_2060200 (CHEMBL4715201)	Inhibition of human ERG
50012469	1	ChEMBL_2060234 (CHEMBL4715235)	Inhibition of ALKBH5 demethylase activity (unknown origin) assessed as increase in methylated 6A-RNA level incubated for 2 hrs by colorimetric analysis
50012475	1	ChEMBL_2060296 (CHEMBL4715297)	Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50012479	1	ChEMBL_2060297 (CHEMBL4715298)	Binding affinity to His-6 tagged BRD4 BD1 bromodomain (unknown origin) incubated for 10 mins by TR-FRET assay
50012479	2	ChEMBL_2060298 (CHEMBL4715299)	Binding affinity to His-6 tagged BRD4 BD2 bromodomain (unknown origin) incubated for 10 mins by TR-FRET assay
50012480	1	ChEMBL_2060299 (CHEMBL4715300)	Inhibition of recombinant HDAC6 (unknown origin) using luminescent substrate by HDAC-Glo assay
50012482	1	ChEMBL_2060300 (CHEMBL4715301)	Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubated for 10 mins followed by ATP addition by phosphoenolpyruvate/pyruvate kinase/lactate dehydrogenase coupled radiometric assay
50012482	2	ChEMBL_2060301 (CHEMBL4715302)	Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luciferase reporter gene assay
50012482	3	ChEMBL_2060305 (CHEMBL4715306)	Inhibition of FLT3 (unknown origin)
50012482	4	ChEMBL_2060307 (CHEMBL4715308)	Inhibition of JAK2 (unknown origin)
50012482	5	ChEMBL_2060308 (CHEMBL4715309)	Inhibition of KDR (unknown origin)
50012482	6	ChEMBL_2060309 (CHEMBL4715310)	Inhibition of SRC (unknown origin)
50012482	7	ChEMBL_2060310 (CHEMBL4715311)	Inhibition of SKY (unknown origin)
50012482	8	ChEMBL_2060359 (CHEMBL4715360)	Inhibition of recombinant human N-terminal GST/His-tagged PDE3A (669 to 1141 residues) expressed in baculovirus infected Sf9 insect cells using iFL-cAMP as substrate preincubated for 15 mins followed by substrate addition and measured after 40 mins by fluorescence assay
50012483	1	ChEMBL_2060392 (CHEMBL4715393)	Displacement of [125I]MCP1 from CCR2 in human PBMC measured after 30 mins by Microscintillation counting analysis
50012483	2	ChEMBL_2060393 (CHEMBL4715394)	Antagonist activity at CCR5 in human HT1080 cell membrane assessed as inhibition of [125I]MIP1beta-binding incubated for 4 to 6 hrs by topcount assay
50012483	3	ChEMBL_2060395 (CHEMBL4715396)	Antagonist activity at CCR2 in human THP1 cells assessed as reduction in MCP1-induced chemotaxis measured after 30 mins by calcein-AM dye based fluorescence assay
50012483	4	ChEMBL_2060408 (CHEMBL4715409)	Inhibition of CYP3A4 (unknown origin)
50012483	5	ChEMBL_2060409 (CHEMBL4715410)	Inhibition of CYP2D6 (unknown origin)
50012483	6	ChEMBL_2060410 (CHEMBL4715411)	Inhibition of CYP2C9 (unknown origin)
50012483	7	ChEMBL_2060411 (CHEMBL4715412)	Inhibition of CYP2C19 (unknown origin)
50012484	1	ChEMBL_2060460 (CHEMBL4715461)	Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assay
50012484	2	ChEMBL_2060461 (CHEMBL4715462)	Binding affinity to human recombinant STAT1 assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	3	ChEMBL_2060462 (CHEMBL4715463)	Binding affinity to human recombinant STAT2 assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	4	ChEMBL_2060463 (CHEMBL4715464)	Binding affinity to human recombinant STAT4 assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	5	ChEMBL_2060464 (CHEMBL4715465)	Binding affinity to human recombinant STAT5A assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	6	ChEMBL_2060465 (CHEMBL4715466)	Binding affinity to human recombinant STAT5B assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	7	ChEMBL_2060466 (CHEMBL4715467)	Binding affinity to human recombinant STAT6 assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012484	8	ChEMBL_2060487 (CHEMBL4715488)	Binding affinity to human recombinant STAT3 assessed as dissociation constant incubated for 15 mins by biolayer interferometry
50012485	1	ChEMBL_2060530 (CHEMBL4715531)	Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay
50012485	2	ChEMBL_2060531 (CHEMBL4715532)	Inhibition of human TNKS2 incubated for 1 to 2 hrs by fluorescence polarization assay
50012485	3	ChEMBL_2060561 (CHEMBL4715562)	Inhibition of CYP1A2 (unknown origin)
50012485	4	ChEMBL_2060562 (CHEMBL4715563)	Inhibition of CYP2C9 (unknown origin)
50012485	5	ChEMBL_2060563 (CHEMBL4715564)	Inhibition of CYP2C19 (unknown origin)
50012485	6	ChEMBL_2060564 (CHEMBL4715565)	Inhibition of CYP2D6 (unknown origin)
50012485	7	ChEMBL_2060565 (CHEMBL4715566)	Inhibition of CYP3A4 (unknown origin)
50012486	1	ChEMBL_2060586 (CHEMBL4715587)	Inhibition of F-Bak binding to GST-tagged BCL-XL (unknown origin) measured after 1 hr by TR-FRET assay
50012486	2	ChEMBL_2060587 (CHEMBL4715588)	Inhibition of F-Bak binding to GST-tagged BCL2 (unknown origin) measured after 1 hr by TR-FRET assay
50012486	3	ChEMBL_2060588 (CHEMBL4715589)	Inhibition of F-Bak binding to GST-tagged MCL1 (unknown origin) measured after 1 hr by TR-FRET assay
50012486	4	ChEMBL_2060597 (CHEMBL4715598)	Binding affinity to N-terminal GST-tagged BCL-XL (unknown origin) assessed as equilibrium dissociation constant by SPR analysis
50012487	1	ChEMBL_2060599 (CHEMBL4715600)	Binding affinity to recombinant human PTP1B measured by Surface plasmon resonance assay
50012487	2	ChEMBL_2060600 (CHEMBL4715601)	Inhibition of recombinant N-terminal His-tagged human PTP1B (E2 to N321) expressed in Escherichia coli expression system assessed by dephosphorylation of substrate pNPP measured for 4 mins by plate reader analysis
50012489	1	ChEMBL_2060620 (CHEMBL4715621)	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21(DE3) incubated for 2 hrs by fluorescence assay
50012489	2	ChEMBL_2060621 (CHEMBL4715622)	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr by fluorescence polarization assay
50012489	3	ChEMBL_2060622 (CHEMBL4715623)	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr in presence of compound by fluorescence polarization assay
50012489	4	ChEMBL_2060623 (CHEMBL4715624)	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr in presence of compound by [3H]9-Cis retinoic acid assay
50012490	1	ChEMBL_2060624 (CHEMBL4715625)	Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after hyperpolarization to -115 mV for 8s followed by 20ms pulse with holding potential of -20 mV by PatchXpress automated patch clamp assay
50012490	2	ChEMBL_2060625 (CHEMBL4715626)	Inhibition of mouse Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins measured after depolarization to 7 mV for 8s followed by 20ms pulse with holding potential of -20 mV by PatchXpress automated patch clamp assay
50012490	3	ChEMBL_2060626 (CHEMBL4715627)	Inhibition of human Nav1.7 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding potential of -65 mV by Qube-automated patch clamp assay
50012490	4	ChEMBL_2060627 (CHEMBL4715628)	Inhibition of human Nav1.6 alpha expressed in HEK293 cells incubated for 5 mins with 6 consecutive train pulses to -10 mV at 0.1 Hz and holding potential of -65 mV by Qube-automated patch clamp assay
50012490	5	ChEMBL_2060641 (CHEMBL4715642)	Inhibition of CYP3A4 (unknown origin)
50012490	6	ChEMBL_2060642 (CHEMBL4715643)	Inhibition of CYP2C9 (unknown origin)
50012490	7	ChEMBL_2060643 (CHEMBL4715644)	Inhibition of CYP2CD6 (unknown origin)
50012490	8	ChEMBL_2060644 (CHEMBL4715645)	Activation of PXR (unknown origin)
50012492	1	ChEMBL_2060763 (CHEMBL4716016)	Inhibition of human S6K1 using KKRNRTLTK peptide substrate by radiometric assay
50012495	1	ChEMBL_2060774 (CHEMBL4716027)	Inhibition of human TRKA kinase domain by HTRF KinEASE biochemical assay
50012495	2	ChEMBL_2060775 (CHEMBL4716028)	Inhibition of human TRKA by FLIPR assay
50012495	3	ChEMBL_2060776 (CHEMBL4716029)	Inhibition of human TRKB by FLIPR assay
50012495	4	ChEMBL_2060783 (CHEMBL4716036)	Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation using fluorescently-labelled peptide as substrate by caliper assay
50012495	5	ChEMBL_2060784 (CHEMBL4716037)	Inhibition of human TRKA at active state assessed as inhibition of substrate phosphorylation using fluorescently-labelled peptide as substrate by caliper assay
50012495	6	ChEMBL_2060785 (CHEMBL4716038)	Inhibition of human TRKA at inactive state by kinetic based analysis
50012495	7	ChEMBL_2060786 (CHEMBL4716039)	Inhibition of human TRKA at active state by kinetic based analysis
50012496	1	ChEMBL_2060788 (CHEMBL4716041)	Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competition binding assay
50012496	2	ChEMBL_2060789 (CHEMBL4716042)	Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competition binding assay
50012496	3	ChEMBL_2060790 (CHEMBL4716043)	Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competition binding assay
50012496	4	ChEMBL_2060791 (CHEMBL4716044)	Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed in CHO-K9 cell membranes measured after 3 hrs by radioligand competition binding assay
50012496	5	ChEMBL_2060792 (CHEMBL4716045)	Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed in CHO-K1 cell membranes measured after 3 hrs by radioligand competition binding assay
50012496	6	ChEMBL_2060793 (CHEMBL4716046)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for 2 hrs in presence of atropine by FACSCantoII flow cytometric saturation binding study relative to control
50012496	7	ChEMBL_2060794 (CHEMBL4716047)	Displacement of [3H]-QNB from truncated EGFP-fused human muscarinic M1 receptor expressed in HEK293 cells by UV-visible spectroscopy
50012496	8	ChEMBL_2060795 (CHEMBL4716048)	Displacement of [3H]-NMS from muscarinic M1 receptor (unknown origin) expressed in A9 cells by scintillation counting analysis
50012496	9	ChEMBL_2060796 (CHEMBL4716049)	Displacement of [3H]-NMS from muscarinic M2 receptor (unknown origin) expressed in A9 cells by scintillation counting analysis
50012496	10	ChEMBL_2060797 (CHEMBL4716050)	Displacement of [3H]-NMS from muscarinic M3 receptor (unknown origin) expressed in A9 cells by scintillation counting analysis
50012496	11	ChEMBL_2060798 (CHEMBL4716051)	Displacement of [3H]-NMS from muscarinic M4 receptor (unknown origin) expressed in NG108-15 cells by scintillation counting analysis
50012496	12	ChEMBL_2060799 (CHEMBL4716052)	Binding affinity to human muscarinic M2 receptor expressed in CHO-K9 cells assessed as unspecific binding at Kd incubated in dark at 22 degree C for 2 hrs in presence of atropine by FACSCalibur flow cytometric saturation binding study relative to control
50012497	1	ChEMBL_2060801 (CHEMBL4716054)	Inhibition of N-terminal His6-tagged Desulfovibrio desulfuricans G20 CutC encoding 52 residues assessed as reduction in acetaldehyde using choline as substrate in presence of NADH-dependent yeast alcohol dehydrogenase by UV-Vis absorbance based assay
50012498	1	ChEMBL_2060813 (CHEMBL4716066)	Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110alpha/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells using PIP2 as substrate in presence of ATP incubated for 20 mins by Alphascreen assay
50012498	2	ChEMBL_2060814 (CHEMBL4716067)	Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110beta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells using PIP2 as substrate in presence of ATP incubated for 20 mins by Alphascreen assay
50012498	3	ChEMBL_2060815 (CHEMBL4716068)	Inhibition of recombinant full length N-terminal polyHis-tagged PI3K p110delta/p85alpha (unknown origin) expressed in baculovirus infected Sf9 cells using PIP2 as substrate in presence of ATP incubated for 20 mins by Alphascreen assay
50012498	4	ChEMBL_2060816 (CHEMBL4716069)	Inhibition of recombinant full length N-terminal polyHis-tagged PI3Kgamma (114 to 1102 residues) (unknown origin) expressed in baculovirus infected Hi-5 cells using PIP2 as substrate in presence of ATP incubated for 20 mins by Alphascreen assay
50012498	5	ChEMBL_2060820 (CHEMBL4716073)	Inhibition of PI3Kdelta in antiIgM/CD40L-induced human B cells assessed as reduction in cell viability preincubated for 30 mins followed by antiIgM/CD40L addition and measured after 72 hrs by [3H]-thymidine incorporation assay
50012498	6	ChEMBL_2060821 (CHEMBL4716074)	Inhibition of PI3Kdelta in Balb/c mouse B cells assessed as inhibition of antiIgM-induced Akt phosphorylation at ser 473 residue preincubated for 45 mins followed by antiIgM stimulation and measured after 15 mins by immunostaining based flow cytometry analysis
50012498	7	ChEMBL_2060822 (CHEMBL4716075)	Inhibition of PI3kdelta in anti-IgD-induced human whole blood cells assessed as reduction in CD69 expression measured after 6 hrs by immunostaining based flow cytometric analysis
50012498	8	ChEMBL_2060823 (CHEMBL4716076)	Inhibition of PI3kdelta in anti-IgD-induced human whole blood cells assessed as reduction in Akt phosphorylation at ser 473 residue pretreated with compound for 60 mins followed by anti-IgD stimulation measured after 7 mins by Alexa fluor 488 staining based flow cytometry analysis
50012499	1	ChEMBL_2060853 (CHEMBL4716106)	Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed by substrate addition and measured immediately
50012499	2	ChEMBL_2060854 (CHEMBL4716107)	Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed by substrate addition and measured immediately
50012499	3	ChEMBL_2060855 (CHEMBL4716108)	Binding affinity to N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli assessed as dissociation constant and measured for 120 sec by biolayer interferometry
50012502	1	ChEMBL_2060879 (CHEMBL4716132)	Inhibition of recombinant human His-tagged c-MET expressed in baculovirus expression system assessed as reduction in c-MET phosphorylation using Tyr6 as substrate incubated for 1 hr by Z'-lyte assay
50012502	2	ChEMBL_2060880 (CHEMBL4716133)	Inhibition of recombinant human His-tagged c-MET M1250T mutant expressed in baculovirus expression system assessed as reduction in c-MET phosphorylation using Tyr6 as substrate incubated for 1 hr by Z'-lyte assay
50012503	1	ChEMBL_2060893 (CHEMBL4716146)	Inhibition of recombinant human aromatase incubated for 30 mins using fluorometric substrate 7-methoxy-4-trifluoromethylcoumarin in presence of NADPH cofactor mix by fluorometric assay
50012503	2	ChEMBL_2060896 (CHEMBL4716149)	Displacement of ES2 from recombinant human ER-alpha incubated for 2 hrs by fluorescence based assay
50012503	3	ChEMBL_2060897 (CHEMBL4716150)	Displacement of ES2 from recombinant human ER-beta incubated for 2 hrs by fluorescence based assay
50012504	1	ChEMBL_2060934 (CHEMBL4716187)	Inhibition of ALK (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012504	2	ChEMBL_2060935 (CHEMBL4716188)	Inhibition of crizotinib-resistant ALK G1202R mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012504	3	ChEMBL_2060936 (CHEMBL4716189)	Inhibition of crizotinib-resistant ALK L1196M mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012504	4	ChEMBL_2060937 (CHEMBL4716190)	Inhibition of crizotinib-resistant ALK G1269A mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012504	5	ChEMBL_2060939 (CHEMBL4716192)	Inhibition of crizotinib-resistant ALK F1174L mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012504	6	ChEMBL_2060940 (CHEMBL4716193)	Inhibition of crizotinib-resistant ALK C1156Y mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescence assay
50012507	1	ChEMBL_2061072 (CHEMBL4716325)	Inhibition of T type calcium channel Cav3.1 (unknown origin) expressed in HEK293T cells by patch clamp method relative to control
50012510	1	ChEMBL_2061576 (CHEMBL4716829)	Inhibition EML4-ALK (unknown origin)
50012510	2	ChEMBL_2061577 (CHEMBL4716830)	Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-Glo luciferase assay
50012510	3	ChEMBL_2061578 (CHEMBL4716831)	Inhibition NMP-ALK (unknown origin)
50012510	4	ChEMBL_2061579 (CHEMBL4716832)	Inhibition of Tel fused InsR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-Glo luciferase assay
50012510	5	ChEMBL_2061581 (CHEMBL4716834)	Inhibition of ALK (unknown origin)
50012510	6	ChEMBL_2061582 (CHEMBL4716835)	Inhibition of BTK (unknown origin)
50012510	7	ChEMBL_2061583 (CHEMBL4716836)	Inhibition of ABL (unknown origin)
50012510	8	ChEMBL_2061584 (CHEMBL4716837)	Inhibition of AKT (unknown origin)
50012510	9	ChEMBL_2061586 (CHEMBL4716839)	Inhibition of CDK2 (unknown origin)
50012510	10	ChEMBL_2061587 (CHEMBL4716840)	Inhibition of GSK3beta (unknown origin)
50012510	11	ChEMBL_2061588 (CHEMBL4716841)	Inhibition of JAK1 (unknown origin)
50012510	12	ChEMBL_2061589 (CHEMBL4716842)	Inhibition of JAK2 (unknown origin)
50012510	13	ChEMBL_2061590 (CHEMBL4716843)	Inhibition of JAK3 (unknown origin)
50012510	14	ChEMBL_2061591 (CHEMBL4716844)	Inhibition of MAPK1 (unknown origin)
50012510	15	ChEMBL_2061592 (CHEMBL4716845)	Inhibition of PLK1 (unknown origin)
50012510	16	ChEMBL_2061593 (CHEMBL4716846)	Inhibition of TYK2 (unknown origin)
50012510	17	ChEMBL_2061594 (CHEMBL4716847)	Inhibition of EphA4 (unknown origin)
50012510	18	ChEMBL_2061595 (CHEMBL4716848)	Inhibition of EphB4 (unknown origin)
50012510	19	ChEMBL_2061596 (CHEMBL4716849)	Inhibition of FGFR4 (unknown origin)
50012510	20	ChEMBL_2061597 (CHEMBL4716850)	Inhibition of FGFR3 (unknown origin)
50012510	21	ChEMBL_2061598 (CHEMBL4716851)	Inhibition of HER1 (unknown origin)
50012510	22	ChEMBL_2061599 (CHEMBL4716852)	Inhibition of HER2 (unknown origin)
50012510	23	ChEMBL_2061600 (CHEMBL4716853)	Inhibition of IGF-1R (unknown origin)
50012510	24	ChEMBL_2061601 (CHEMBL4716854)	Inhibition of KDR (unknown origin)
50012510	25	ChEMBL_2061602 (CHEMBL4716855)	Inhibition of LCK (unknown origin)
50012510	26	ChEMBL_2061603 (CHEMBL4716856)	Inhibition of PDGFRalpha (unknown origin)
50012510	27	ChEMBL_2061604 (CHEMBL4716857)	Inhibition of PDK1 (unknown origin)
50012510	28	ChEMBL_2061605 (CHEMBL4716858)	Inhibition of RET (unknown origin)
50012510	29	ChEMBL_2061606 (CHEMBL4716859)	Inhibition of SYK (unknown origin)
50012510	30	ChEMBL_2061607 (CHEMBL4716860)	Inhibition of c-KIT (unknown origin)
50012510	31	ChEMBL_2061608 (CHEMBL4716861)	Inhibition of MET (unknown origin)
50012510	32	ChEMBL_2061612 (CHEMBL4716865)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50012510	33	ChEMBL_2061618 (CHEMBL4716871)	Inhibition of human ERG by dofetilide binding assay
50012510	34	ChEMBL_2061633 (CHEMBL4716886)	Inhibition of NMP-ALK (unknown origin) expressed in human KARPAS-299 cells assessed as reduction in cell growth
50012511	1	ChEMBL_2061675 (CHEMBL4716928)	Allosteric modulation of GABAA alpha1beta2gamma2 (unknown origin) expressed in Xenopus oocytes assessed as potentiation of GABA-induced current response at -80 mV holding potential incubated for 3 mins by two electrode voltage clamp method
50012512	1	ChEMBL_2061712 (CHEMBL4716965)	Displacement of europium-labeled Eu(A)-mINSL5 from human RXFP4 expressed in CHO-K1 cells
50012512	2	ChEMBL_2061713 (CHEMBL4716966)	Agonist activity at human RXFP4 expressed in CHO-K1 cells assessed as reduction in forskolin-induced cAMP production by pCRE beta-galactosidase reporter assay
50012513	1	ChEMBL_2061727 (CHEMBL4716980)	Inhibition of recombinant human LSD1/CoREST using 10-acetyl-3,7-dihydroxyphenoxazine as substrate incubated for 30 mins by fluorescence based assay
50012513	2	ChEMBL_2061728 (CHEMBL4716981)	Inhibition of recombinant human SMOX
50012518	1	ChEMBL_2061729 (CHEMBL4716982)	Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLISA assay
50012518	2	ChEMBL_2061739 (CHEMBL4716992)	Inhibition of His-tagged CBP (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay
50012518	3	ChEMBL_2061740 (CHEMBL4716993)	Inhibition of BRPF1 (unknown origin) measured after 70 mins by TR-FRET assay
50012518	4	ChEMBL_2061741 (CHEMBL4716994)	Inhibition of BRD4 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	5	ChEMBL_2061742 (CHEMBL4716995)	Inhibition of BRD2 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	6	ChEMBL_2061743 (CHEMBL4716996)	Inhibition of BRD2 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	7	ChEMBL_2061744 (CHEMBL4716997)	Inhibition of BRD3 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	8	ChEMBL_2061745 (CHEMBL4716998)	Inhibition of BRD3 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	9	ChEMBL_2061746 (CHEMBL4716999)	Inhibition of BRDT BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	10	ChEMBL_2061747 (CHEMBL4717000)	Inhibition of BRDT BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay
50012518	11	ChEMBL_2061748 (CHEMBL4717001)	Inhibition of His-tagged ATAD2 (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay
50012518	12	ChEMBL_2061749 (CHEMBL4717002)	Inhibition of His-tagged BRD9 (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay
50012518	13	ChEMBL_2061750 (CHEMBL4717003)	Inhibition of BRPF3 (unknown origin) measured after 70 mins by TR-FRET assay
50012518	14	ChEMBL_2061751 (CHEMBL4717004)	Inhibition of His-tagged BRG1 (unknown origin) using biotinylated acetylated peptide as substrate measured after 20 mins by AlphaLISA assay
50012518	15	ChEMBL_2061752 (CHEMBL4717005)	Inhibition of BPTF (unknown origin) measured after 70 mins by TR-FRET assay
50012518	16	ChEMBL_2061753 (CHEMBL4717006)	Inhibition of BRD1 (unknown origin) measured after 70 mins by TR-FRET assay
50012521	1	ChEMBL_2061769 (CHEMBL4717022)	Inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 5 uM ATP as substrate incubated for 90 mins by ADP-glo assay
50012521	2	ChEMBL_2061770 (CHEMBL4717023)	Inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM ATP as substrate incubated for 90 mins by ADP-glo assay
50012521	3	ChEMBL_2061771 (CHEMBL4717024)	Inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 100 uM ATP as substrate incubated for 90 mins by ADP-glo assay
50012521	4	ChEMBL_2061776 (CHEMBL4717029)	Uncompetitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM ATP as substrate incubated for 90 mins by ADP-glo assay based Michaelis-Menten plot analysis
50012521	5	ChEMBL_2061777 (CHEMBL4717030)	Competitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM ATP as substrate incubated for 90 mins by ADP-glo assay based Michaelis-Menten plot analysis
50012524	1	ChEMBL_2061781 (CHEMBL4717034)	Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 120 mins in presence of ATP by TR-FRET assay
50012524	2	ChEMBL_2061782 (CHEMBL4717035)	Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-human IgM F(ab')2 for 18 hrs by immunostaining analysis
50012524	3	ChEMBL_2061783 (CHEMBL4717036)	Inhibition of BTK in human whole blood assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with anti-CD79b for 3 hrs by immunostaining analysis
50012524	4	ChEMBL_2061784 (CHEMBL4717037)	Inhibition of human BLK
50012524	5	ChEMBL_2061785 (CHEMBL4717038)	Inhibition of human BMX
50012524	6	ChEMBL_2061786 (CHEMBL4717039)	Inhibition of human CSK
50012524	7	ChEMBL_2061787 (CHEMBL4717040)	Inhibition of human ERBB4
50012524	8	ChEMBL_2061788 (CHEMBL4717041)	Inhibition of human FGR
50012524	9	ChEMBL_2061789 (CHEMBL4717042)	Inhibition of human FRK
50012524	10	ChEMBL_2061790 (CHEMBL4717043)	Inhibition of human FYN
50012524	11	ChEMBL_2061791 (CHEMBL4717044)	Inhibition of human ITK
50012524	12	ChEMBL_2061792 (CHEMBL4717045)	Inhibition of human LCK
50012524	13	ChEMBL_2061793 (CHEMBL4717046)	Inhibition of human LYNB
50012524	14	ChEMBL_2061794 (CHEMBL4717047)	Inhibition of human PTK6
50012524	15	ChEMBL_2061795 (CHEMBL4717048)	Inhibition of human SRC
50012524	16	ChEMBL_2061796 (CHEMBL4717049)	Inhibition of human SRMS
50012524	17	ChEMBL_2061797 (CHEMBL4717050)	Inhibition of human TEC
50012524	18	ChEMBL_2061798 (CHEMBL4717051)	Inhibition of human TXK
50012524	19	ChEMBL_2061799 (CHEMBL4717052)	Inhibition of human YES1
50012529	1	ChEMBL_2061892 (CHEMBL4717145)	Inhibition of electric eel AchE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50012529	2	ChEMBL_2061893 (CHEMBL4717146)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50012532	1	ChEMBL_2061915 (CHEMBL4717168)	Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50012532	2	ChEMBL_2061916 (CHEMBL4717169)	Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50012537	1	ChEMBL_2062000 (CHEMBL4717253)	Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay
50012537	2	ChEMBL_2062007 (CHEMBL4717260)	Inhibition of CYP3A4 (unknown origin)
50012537	3	ChEMBL_2062008 (CHEMBL4717261)	Inhibition of CYP2D6 (unknown origin)
50012537	4	ChEMBL_2062009 (CHEMBL4717262)	Inhibition of CYP2C8 (unknown origin)
50012537	5	ChEMBL_2062010 (CHEMBL4717263)	Inhibition of CYP2C9 (unknown origin)
50012537	6	ChEMBL_2062015 (CHEMBL4717268)	Antagonist activity at glucocorticoid receptor (unknown origin) by PathHunter assay
50012537	7	ChEMBL_2062017 (CHEMBL4717270)	Antagonist activity at progesterone receptor (unknown origin) by PathHunter assay
50012538	1	ChEMBL_2062022 (CHEMBL4717275)	Induction of rabbit skeletal muscle actin depolymerization measured after 120 mins by fluorescence assay
50012541	1	ChEMBL_2062190 (CHEMBL4717443)	Inhibition of human liver microsomes CYP2C9 using diclofenac as substrate by MUX-MS/MS analysis
50012541	2	ChEMBL_2062191 (CHEMBL4717444)	Inhibition of human liver microsomes CYP2D6 using dextromethorphan as substrate by MUX-MS/MS analysis
50012541	3	ChEMBL_2062192 (CHEMBL4717445)	Inhibition of human liver microsomes CYP3A4 using testosterone as substrate by MUX-MS/MS analysis
50012541	4	ChEMBL_2062193 (CHEMBL4717446)	Inhibition of human ERG expressed in HEK293 cells assessed as reduction in S35-MK-0499 binding
50012541	5	ChEMBL_2062194 (CHEMBL4717447)	Agonist activity at human GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assay
50012541	6	ChEMBL_2062195 (CHEMBL4717448)	Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assay
50012542	1	ChEMBL_2062290 (CHEMBL4717543)	Inhibition of recombinant N-terminal His6-tagged human TrkA (440 to end residues) expressed in baculovirus infected Sf21 insect cells
50012544	1	ChEMBL_2062308 (CHEMBL4717561)	Inhibition of sEH (unknown origin) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate measured after 40 mins by fluorescence photometry analysis
50012544	2	ChEMBL_2062309 (CHEMBL4717562)	Mixed type inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis
50012544	3	ChEMBL_2062310 (CHEMBL4717563)	Non competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis
50012544	4	ChEMBL_2062311 (CHEMBL4717564)	Competitive inhibition of sEH (unknown origin) using varying levels of PHOME as substrate by Dixon plot analysis
50012545	1	ChEMBL_2062316 (CHEMBL4717569)	Inhibition of human SERT expressed in CHO-K1 cells assessed as inhibition of [3H]-5-hydroxytryptamine reuptake measured after 20 mins by Microscintillation counting analysis
50012545	2	ChEMBL_2062317 (CHEMBL4717570)	Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation counting analysis
50012545	3	ChEMBL_2062318 (CHEMBL4717571)	Inhibition of human DAT expressed in CHO-K1 cells assessed as inhibition of [3H]-dopamine reuptake measured after 60 mins by Microscintillation counting analysis
50012546	1	ChEMBL_2062336 (CHEMBL4717589)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method
50012548	1	ChEMBL_2062381 (CHEMBL4717634)	Displacement of [125I]+/-DOI from human recombinant 5-HT2C receptor after 60 mins by scintillation counting analysis
50012548	2	ChEMBL_2062385 (CHEMBL4717638)	Displacement of [3H]ketanserin human recombinant 5-HT2A receptor after 60 mins by scintillation counting analysis relative to control
50012548	3	ChEMBL_2062395 (CHEMBL4717648)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells in presence of serotonin incubated for 60 mins
50012548	4	ChEMBL_2062398 (CHEMBL4717651)	Displacement of [3H]-GR113808 from guinea pig brain 5HT4 receptor in presence of serotonin incubated for 30 mins
50012550	1	ChEMBL_2062458 (CHEMBL4717711)	Inhibition of recombinant human IDO1 assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 1 hr by UV-vis spectrophotometric analysis
50012550	2	ChEMBL_2062459 (CHEMBL4717712)	Inhibition of human IDO1 in IFN-gamma-induced human MDA-MB-231 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate pretreated for 4 hrs followed substrate addition measured after 5 hrs by UV-vis spectrophotometric analysis
50012550	3	ChEMBL_2062462 (CHEMBL4717715)	Inhibition of recombinant human TDO assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 1 hrs by UV-vis spectrophotometric analysis
50012550	4	ChEMBL_2062466 (CHEMBL4717719)	Inhibition of recombinant human IDO1 assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 1.5 hrs by HPLC analysis
50012551	1	ChEMBL_2062542 (CHEMBL4717795)	Inhibition of PDE11A4 (unknown origin)
50012551	2	ChEMBL_2062543 (CHEMBL4717796)	Inhibition of PDE2A (unknown origin)
50012551	3	ChEMBL_2062561 (CHEMBL4717814)	Partial agonist activity at muscarinic M1 receptor (unknown origin) assessed as recruitment of beta-arrestin by Path Hunter assay
50012551	4	ChEMBL_2062562 (CHEMBL4717815)	Positive allosteric modulation of muscarinic M1 receptor (unknown origin) assessed as increase in Ach-induced recruitment of beta-arrestin by Path Hunter assay
50012551	5	ChEMBL_2062564 (CHEMBL4717817)	Positive allosteric modulation of muscarinic M1 receptor (unknown origin) expressed in CHO cells assessed as increase in Ach-induced accumulation of inositol phosphate accumulation measured after 30 mins by HTRF assay
50012551	6	ChEMBL_2062590 (CHEMBL4717843)	Positive allosteric modulation of human muscarinic M1 receptor stably expressed in CHO cells assessed as increase in Ach-induced intracellular calcium level preincubated for 10 mins followed by addition of Ach at EC20 concentration by Fluo-8AM dye based FLIPR TETRA method
50012552	1	ChEMBL_2062975 (CHEMBL4718228)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate and measured at 12 sec interval for 5 mins by fluorimetric analysis
50012553	1	ChEMBL_2063124 (CHEMBL4718377)	Inhibition of ovine COX1 assessed as reduction in PGF2alpha production using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 2 mins by colorimetric analysis
50012553	2	ChEMBL_2063125 (CHEMBL4718378)	Inhibition of ovine COX2 assessed as reduction in PGF2alpha production using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 2 mins by colorimetric analysis
50012554	1	ChEMBL_2063128 (CHEMBL4718381)	Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescence assay
50012554	2	ChEMBL_2063129 (CHEMBL4718382)	Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins under shaking condition by fluorescence assay
50012554	3	ChEMBL_2063130 (CHEMBL4718383)	Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins under shaking condition by fluorescence assay
50012554	4	ChEMBL_2063131 (CHEMBL4718384)	Inhibition of human erythrocytes mu-calpain using Pep2 as substrate incubated for 30 mins under shaking condition in presence of CaCl2 by fluorescence assay
50012554	5	ChEMBL_2063132 (CHEMBL4718385)	Inhibition of human liver cathepsin B using RR-AMC as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins under shaking condition by fluorescence assay
50012554	6	ChEMBL_2063139 (CHEMBL4718392)	Inhibition of cathepsin B in human SH-SY5Y cells using RR-AMC as substrate by fluorescence microplate reader assay
50012554	7	ChEMBL_2063148 (CHEMBL4718401)	Competitive inhibition of human erythrocytes mu-calpain using varying level of Pep2 as substrate by Lineweaver-Burk plot analysis
50012554	8	ChEMBL_2063149 (CHEMBL4718402)	Competitive inhibition of cathepsin B (unknown origin) using varying level of RR-AMC as substrate by Lineweaver-Burk plot analysis
50012555	1	ChEMBL_2063219 (CHEMBL4718472)	Negative allosteric modulator activity at CB1 receptor (unknown origin) expressed in HEK293 cell membrane assessed as reduction in CP55,940-induced [35S]GTPgammaS binding by measuring EC50 of CP55,940 at 3.2 uM incubated for 60 mins by liquid scintillation counting analysis (Rvb = 4.7 nM)
50012556	1	ChEMBL_2063225 (CHEMBL4718478)	Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence plate reader assay
50012556	2	ChEMBL_2063226 (CHEMBL4718479)	Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence plate reader assay
50012557	1	ChEMBL_2063271 (CHEMBL4718524)	Inhibition of porcine kidney microsomal CD13 using L-leucine-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by microplate reader analysis
50012557	2	ChEMBL_2063272 (CHEMBL4718525)	Inhibition of CD13 in human ES-2 cell surface using L-leucine-p-nitroanilide as substrate and measured after 1 hr by microplate reader analysis
50012558	1	ChEMBL_2063305 (CHEMBL4718558)	Displacement of [3H] Spiperone from rat striatum dopamine D2 receptor measured after 30 mins by liquid scintillation counter method
50012558	2	ChEMBL_2063306 (CHEMBL4718559)	Displacement of [3H]-8-OH-DPAT from rat cerebral cortex 5HT1A receptor measured after 15 mins by liquid scintillation counter method
50012558	3	ChEMBL_2063307 (CHEMBL4718560)	Displacement of [3H]-ketanserin from rat cerebral cortex 5HT2A receptor measured after 20 mins by liquid scintillation counter method
50012558	4	ChEMBL_2063344 (CHEMBL4718597)	Binding affinity to human dopamine D2 receptor
50012558	5	ChEMBL_2063345 (CHEMBL4718598)	Binding affinity to human 5HT1A receptor
50012558	6	ChEMBL_2063346 (CHEMBL4718599)	Binding affinity to human 5HT2A receptor
50012559	1	ChEMBL_2063378 (CHEMBL4718631)	Inhibition of ovine COX-1 assessed as appearance of oxidized TMPD level by EIA method
50012559	2	ChEMBL_2063379 (CHEMBL4718632)	Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method
50012560	1	ChEMBL_2063396 (CHEMBL4718649)	Displacement of [125I-His9]-ghrelin from GHS-R1a (unknown origin) expressed in human HEK293 cells incubated for 20 mins by gamma scintillation counting method
50012561	1	ChEMBL_2063496 (CHEMBL4718749)	Inhibition of recombinant human S1PL using RBM13 as fluorogenic substrate incubated for 1 hr
50012561	2	ChEMBL_2063497 (CHEMBL4718750)	Competitive inhibition of human S1PL using varying levels of RBM13 as substrate by Lineweaver-Burk plot analysis
50012561	3	ChEMBL_2063498 (CHEMBL4718751)	Competitive inhibition of rat liver microsomal S1PL using varying levels of [3-3H]-D(+) erythro-sphinganine-1-phosphate as substrate incubated for 15 mins by Dixon plot analysis
50012561	4	ChEMBL_2063499 (CHEMBL4718752)	Inhibition of rat liver microsomal S1PL
50012561	5	ChEMBL_2063500 (CHEMBL4718753)	Inhibition of mouse liver microsomal S1PL using S1P as substrate incubated for 20 mins by ESI-LC/MS analysis
50012562	1	ChEMBL_2063567 (CHEMBL4718820)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma33P]ATP by radiometric HotSpot assay
50012562	2	ChEMBL_2063573 (CHEMBL4718826)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by IonWorks patch-clamp electrophysiology assay
50012562	3	ChEMBL_2063587 (CHEMBL4718840)	Inhibition of EGFR (unknown origin) using Tyr 04 peptide as substrate incubated for 1 hr by Z'-LYTE assay
50012563	1	ChEMBL_2063643 (CHEMBL4718896)	Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition of [3H]-gabapentin uptake by scintillation counting cis-inhibition assay relative to BCH inhibition (RV = 100%)
50012564	1	ChEMBL_2063647 (CHEMBL4718900)	Inhibition of carboxypeptidase A (unknown origin) assessed as reduction in degradation of N-(4-methoxyphenylazoformyl)-Phe-OH using N-(4-methoxyphenylazoformyl)-Phe-OH as substrate
50012564	2	ChEMBL_2063649 (CHEMBL4718902)	Inhibition of carboxypeptidase A (unknown origin)
50012564	3	ChEMBL_2063650 (CHEMBL4718903)	Inhibition of carboxypeptidase A (unknown origin) assessed as reduction in hydrolysis of hippuryl-L-phenylalanine using hippuryl-L-phenylalanine as substrate
50012564	4	ChEMBL_2063651 (CHEMBL4718904)	Inhibition of carboxypeptidase A in bovine pancreas assessed as reduction in hydrolysis of hippuryl-L-phenylalanine using hippuryl-L-phenylalanine as substrate measured after 2 hrs
50012565	1	ChEMBL_2063683 (CHEMBL4718936)	Agonist activity at Go2-q-coupled human EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 mins followed by [35S]GTPgammaS addition and measured after 1 hr by scintillation counting analysis
50012565	2	ChEMBL_2063684 (CHEMBL4718937)	Agonist activity at Go2-q-coupled rat EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 mins followed by [35S]GTPgammaS addition and measured after 1 hr by scintillation counting analysis
50012565	3	ChEMBL_2063685 (CHEMBL4718938)	Agonist activity at Go2-q-coupled mouse EBI2 expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 mins followed by [35S]GTPgammaS addition and measured after 1 hr by scintillation counting analysis
50012565	4	ChEMBL_2063699 (CHEMBL4718952)	Agonist activity at Go2-q-coupled EBI2 (unknown origin) expressed in COS7 cell membranes assessed as stimulation of [35S]GTPgammaS binding preincubated for 20 mins followed by [35S]GTPgammaS addition and measured after 1 hr by scintillation counting analysis
50012566	1	ChEMBL_2063703 (CHEMBL4718956)	Inhibition of recombinant human ALR2 using D,L-glyceraldehyde and NADPH as substrate preincubated for 3 mins followed by substrate addition and measured for 3 mins by spectrophotometric analysis
50012568	1	ChEMBL_2063730 (CHEMBL4718983)	Inhibition of CD13 in human PLC-PRF-5 cell surface using L-leucine-p-nitroanilide as substrate and measured after 1 hr by microplate reader analysis
50012568	2	ChEMBL_2063731 (CHEMBL4718984)	Inhibition of CD13 in human A549 cell surface using L-leucine-p-nitroanilide as substrate and measured after 1 hr by microplate reader analysis
50012568	3	ChEMBL_2063732 (CHEMBL4718985)	Inhibition of porcine kidney microsomal CD13 using L-leucine-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by microplate reader analysis
50012571	1	ChEMBL_2063747 (CHEMBL4719000)	Inhibition of His-tagged LMW-PTP isoform A (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	2	ChEMBL_2063751 (CHEMBL4719004)	Competitive inhibition of His-tagged LMW-PTP isoform A (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis
50012571	3	ChEMBL_2063752 (CHEMBL4719005)	Competitive inhibition of LMW-PTP isoform B (unknown origin) using para-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis
50012571	4	ChEMBL_2063753 (CHEMBL4719006)	Inhibition of His-tagged SHP2 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	5	ChEMBL_2063754 (CHEMBL4719007)	Inhibition of His-tagged PTP1B (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	6	ChEMBL_2063755 (CHEMBL4719008)	Inhibition of His-tagged TC-PTP (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	7	ChEMBL_2063756 (CHEMBL4719009)	Inhibition of His-tagged SHP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	8	ChEMBL_2063757 (CHEMBL4719010)	Inhibition of His-tagged LYP (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	9	ChEMBL_2063758 (CHEMBL4719011)	Inhibition of His-tagged HePTP (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	10	ChEMBL_2063759 (CHEMBL4719012)	Inhibition of His-tagged PTP-MEG2 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	11	ChEMBL_2063761 (CHEMBL4719014)	Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	12	ChEMBL_2063762 (CHEMBL4719015)	Inhibition of His-tagged PTP-PEST (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	13	ChEMBL_2063763 (CHEMBL4719016)	Inhibition of His-tagged CD45 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	14	ChEMBL_2063764 (CHEMBL4719017)	Inhibition of His-tagged LAR (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	15	ChEMBL_2063765 (CHEMBL4719018)	Inhibition of His-tagged PTPalpha (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	16	ChEMBL_2063766 (CHEMBL4719019)	Inhibition of His-tagged PTPbeta (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	17	ChEMBL_2063767 (CHEMBL4719020)	Inhibition of His-tagged PTPgamma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	18	ChEMBL_2063768 (CHEMBL4719021)	Inhibition of His-tagged PTPepsilon (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	19	ChEMBL_2063769 (CHEMBL4719022)	Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	20	ChEMBL_2063770 (CHEMBL4719023)	Inhibition of His-tagged PTPmu (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	21	ChEMBL_2063771 (CHEMBL4719024)	Inhibition of His-tagged MKP3 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	22	ChEMBL_2063772 (CHEMBL4719025)	Inhibition of His-tagged VHR (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	23	ChEMBL_2063773 (CHEMBL4719026)	Inhibition of His-tagged VHZ (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	24	ChEMBL_2063774 (CHEMBL4719027)	Inhibition of His-tagged CDC14A (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	25	ChEMBL_2063775 (CHEMBL4719028)	Inhibition of His-tagged SSu72 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012571	26	ChEMBL_2063776 (CHEMBL4719029)	Inhibition of His-tagged PP5 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5 to 10 mins by microplate reader based spectrophotometric analysis
50012572	1	ChEMBL_2063822 (CHEMBL4719075)	Inhibition of c-MET kinase domain (unknown origin) using Tyr6 peptide as substrate measured after 1 hr in presence of ATP by Z'-lyte kinase assay
50012576	1	ChEMBL_2063858 (CHEMBL4719111)	Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate preincubated with enzyme for 15 mins followed by substrate addition by Ellman's method
50012579	1	ChEMBL_2063882 (CHEMBL4719135)	Inhibition of human IDO1
50012579	2	ChEMBL_2063886 (CHEMBL4719139)	Inhibition of human IDO1 incubated for 60 mins in presence of L-tryptophan by HPLC analysis
50012581	1	ChEMBL_2063898 (CHEMBL4719151)	Inhibition of recombinant human N-terminal His-tagged Pin1 expressed in Escherichia coli BL21 using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate incubated for 10 mins followed by substrate addition and measured for 90 sec by spectrophotometry
50012581	2	ChEMBL_2063900 (CHEMBL4719153)	Inhibition of Pin1 (unknown origin)
50012582	1	ChEMBL_2063901 (CHEMBL4719154)	Agonist activity at human ERbeta receptor expressed in HEK293T cells transfected with pGL4.27-(ERE)3-Luc assessed as transcriptional activation measured after 16 hrs by Dual-Glo luciferase assay
50012582	2	ChEMBL_2063902 (CHEMBL4719155)	Agonist activity at human ERalpha receptor expressed in HEK293T cells transfected with pGL4.27-(ERE)3-Luc assessed as transcriptional activation measured after 16 hrs by Dual-Glo luciferase assay
50012583	1	ChEMBL_2063959 (CHEMBL4719212)	Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation proximity assay
50012585	1	ChEMBL_2064096 (CHEMBL4719349)	Antagonist activity at human MOR transfected in CHO cells co-transfected with Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization incubated for 15 mins prior to DAMGO addition and measured for 90 secs by Fluo-4AM dye based fluorescence analysis
50012585	2	ChEMBL_2064097 (CHEMBL4719350)	Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometry
50012585	3	ChEMBL_2064098 (CHEMBL4719351)	Antagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubated for 15 mins prior to RANTES addition and measured for 120 secs by Fluo-4AM dye based fluorescence analysis
50012585	4	ChEMBL_2064099 (CHEMBL4719352)	Displacement of [125I]MIP-1alpha from CCR5 receptor in rhesus monkey membrane incubated for 120 mins by liquid scintillation counting analysis
50012587	1	ChEMBL_2064112 (CHEMBL4719365)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method
50012589	1	ChEMBL_2064148 (CHEMBL4719401)	Binding affinity to STAT3 (unknown origin) expressed in Escherichia coli by CM5 sensor chip immobilization based SPR assay
50012589	2	ChEMBL_2064153 (CHEMBL4719406)	Inhibition of STAT3-dependent transcriptional activity in human HeLa cells transfected with p-Luc-TKS3 assessed as reduction in luciferase expression incubated for 24 hrs by dual luciferase reporter gene assay
50012591	1	ChEMBL_2064176 (CHEMBL4719429)	Inhibition of human full length FUBP1 expressed in Escherichia coli BL21 DE3 assessed as reduction in FUBP1 interaction with FUSE p21 oligonucleotide incubated for 21 hrs by Alphascreen assay
50012591	2	ChEMBL_2064177 (CHEMBL4719430)	Inhibition of 6xHis-tagged human FUBP1 expressed in HEK293T cells assessed as reduction in FUBP1 interaction with biotinylated NLC chip immobilized FUSE p21 oligonucleotide incubated for 21 hrs by SPR analysis
50012593	1	ChEMBL_2064185 (CHEMBL4719438)	Binding affinity to BAZ2B bromodomain (1858-1972 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 using histone H3 peptide(1-21)K9,K14Ac-biotin-OH by alpha screen assay
50012594	1	ChEMBL_2064205 (CHEMBL4719458)	Activation of rat TRPV1 transfected in HEK293 cells assessed as increase in calcium influx in presence of capsaicin by FURA-2-AM dye based fluorescence assay
50012596	1	ChEMBL_2064211 (CHEMBL4719464)	Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assay
50012596	2	ChEMBL_2064212 (CHEMBL4719465)	Agonist activity at mouse TAAR1
50012597	1	ChEMBL_2064218 (CHEMBL4719471)	Inhibition of human ERG by IonWorks patch clamp electrophysiology method
50012598	1	ChEMBL_2064252 (CHEMBL4719505)	Inhibition of human DYRK1A using [33P]-ATP incubated for 120 mins
50012598	2	ChEMBL_2064253 (CHEMBL4719506)	Inhibition of human DYRK1B using [33P]-ATP incubated for 120 mins
50012598	3	ChEMBL_2064254 (CHEMBL4719507)	Inhibition of DYRK1A (unknown origin)
50012598	4	ChEMBL_2064255 (CHEMBL4719508)	Inhibition of DYRK1B (unknown origin)
50012598	5	ChEMBL_2064260 (CHEMBL4719513)	Inhibition of DYRK2 (unknown origin)
50012598	6	ChEMBL_2064261 (CHEMBL4719514)	Inhibition of DYRK3 (unknown origin)
50012598	7	ChEMBL_2064262 (CHEMBL4719515)	Inhibition of DYRK4 (unknown origin)
50012598	8	ChEMBL_2064263 (CHEMBL4719516)	Inhibition of CLK1 (unknown origin)
50012598	9	ChEMBL_2064264 (CHEMBL4719517)	Inhibition of CLK2 (unknown origin)
50012598	10	ChEMBL_2064265 (CHEMBL4719518)	Inhibition of CLK3 (unknown origin)
50012598	11	ChEMBL_2064266 (CHEMBL4719519)	Inhibition of CLK4 (unknown origin)
50012598	12	ChEMBL_2064267 (CHEMBL4719520)	Inhibition of GSK3A (unknown origin)
50012598	13	ChEMBL_2064268 (CHEMBL4719521)	Inhibition of GSK3B (unknown origin)
50012598	14	ChEMBL_2064269 (CHEMBL4719522)	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant at 3 uM by ITC assay
50012599	1	ChEMBL_2064334 (CHEMBL4719587)	Inhibition of NS5B S282T mutant in HCV genotype 1b infected in HuH7.5Lcu-Neo cells assessed as reduction in viral replication by luciferase reporter gene assay
50012599	2	ChEMBL_2064336 (CHEMBL4719589)	Inhibition of NS5A L31V mutant in HCV genotype 1b infected in HuH7.5Lcu-Neo cells assessed as reduction in viral replication by luciferase reporter gene assay
50012602	1	ChEMBL_2064380 (CHEMBL4719633)	Activation of STING in mouse RAW-Lucia ISG cells assessed as induction of type I IFNs stimulation by measuring induction of IRF pathway incubated for 48 hrs by luciferase reporter gene assay
50012602	2	ChEMBL_2064382 (CHEMBL4719635)	Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of IRF pathway incubated for 48 hrs by luciferase reporter gene assay
50012602	3	ChEMBL_2064384 (CHEMBL4719637)	Activation of STING in human THP-1-Dual cells assessed as induction of type I IFNs by measuring stimulation of NF-kappaB pathway incubated for 48 hrs by luciferase reporter gene assay
50012602	4	ChEMBL_2064386 (CHEMBL4719639)	Activation of STING in human blood assessed as induction of type I IFNs incubated for 18 to 20 hrs by QUANTI-Blue assay
50012603	1	ChEMBL_2064390 (CHEMBL4719643)	Agonist activity at human U-IIR expressed in HEK293-A cells by Fluo4-AM dye based intracellular calcium mobilization assay
50012603	2	ChEMBL_2064393 (CHEMBL4719646)	Displacement of [125I-Tyr9]-U-II from human U-IIR expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012603	3	ChEMBL_2064394 (CHEMBL4719647)	Displacement of [125I-Tyr11]-SS14 from human SSTR1 expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012603	4	ChEMBL_2064395 (CHEMBL4719648)	Displacement of [125I-Tyr11]-SS14 from human SSTR2 expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012603	5	ChEMBL_2064396 (CHEMBL4719649)	Displacement of [125I-Tyr11]-SS14 from human SSTR3 expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012603	6	ChEMBL_2064397 (CHEMBL4719650)	Displacement of [125I-Tyr11]-SS14 from human SSTR4 expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012603	7	ChEMBL_2064398 (CHEMBL4719651)	Displacement of [125I-Tyr11]-SS14 from human SSTR5 expressed in HEK293-A cells incubated for 30 mins by gamma counting based competition radioligand binding assay
50012606	1	ChEMBL_2064459 (CHEMBL4719712)	Displacement of [3H]U69,593 from human KOR expressed in mouse HN9.10 cell membranes incubated for 2 hrs by liquid scintillation counting based radioligand competition assay
50012606	2	ChEMBL_2064460 (CHEMBL4719713)	Displacement of [3H]diprenorphine from human MOR expressed in mouse NG108-15 cell membranes incubated for 2 hrs by liquid scintillation counting based radioligand competition assay
50012606	3	ChEMBL_2064461 (CHEMBL4719714)	Displacement of [3H]deltorphin-II from human DOR expressed in CHO cell membranes incubated for 2 hrs by liquid scintillation counting based radioligand competition assay
50012606	4	ChEMBL_2064470 (CHEMBL4719723)	Antagonist activity at human KOR expressed in CHO cell membranes assessed as reduction in U50,488 induced response incubated for 1 hr by liquid scintillation counting based [35S]GTP-gamma-S assay
50012607	1	ChEMBL_2064481 (CHEMBL4719734)	Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293-A cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012607	2	ChEMBL_2064483 (CHEMBL4719736)	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK293-A cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012607	3	ChEMBL_2064485 (CHEMBL4719738)	Agonist activity at delta opioid receptor (unknown origin) expressed in HEK293-A cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012607	4	ChEMBL_2064488 (CHEMBL4719741)	Agonist activity at NPFFR1 (unknown origin) expressed in HEK293-A cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012607	5	ChEMBL_2064490 (CHEMBL4719743)	Agonist activity at NPFFR2 (unknown origin) expressed in HEK293-A cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 30 mins by competition PKA binding assay
50012608	1	ChEMBL_2064547 (CHEMBL4719800)	Binding affinity to LANCL2 (unknown origin) by surface plasmon resonance analysis
50012609	1	ChEMBL_2064583 (CHEMBL4719836)	Irreversible agonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cells assessed as stimulation of ERK1/2 phosphorylation incubated for 5 mins
50012609	2	ChEMBL_2064593 (CHEMBL4719846)	Irreversible agonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation incubated for 30 mins by LANCE cAMP detection assay
50012609	3	ChEMBL_2064594 (CHEMBL4719847)	Irreversible agonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation incubated for 30 mins by LANCE cAMP detection assay
50012609	4	ChEMBL_2064595 (CHEMBL4719848)	Irreversible agonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation incubated for 30 mins by LANCE cAMP detection assay
50012609	5	ChEMBL_2064596 (CHEMBL4719849)	Irreversible agonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cells assessed as effect on forskolin-induced cAMP accumulation incubated for 30 mins by LANCE cAMP detection assay
50012612	1	ChEMBL_2064598 (CHEMBL4719851)	Agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay
50012612	2	ChEMBL_2064599 (CHEMBL4719852)	Agonist activity at human kappa opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay
50012612	3	ChEMBL_2064600 (CHEMBL4719853)	Agonist activity at human delta opiod receptor expressed in CHO-K1 cells assessed as increase in forskolin induced cAMP production measured after 30 mins by HitHunter luminescence based assay
50012612	4	ChEMBL_2064601 (CHEMBL4719854)	Agonist activity at human mu opiod receptor expressed in CHO-K1 cells assessed as stimulation of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50012613	1	ChEMBL_2064631 (CHEMBL4719884)	Agonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay
50012613	2	ChEMBL_2064633 (CHEMBL4719886)	Agonist activity at human S1P3 expressed in EDG3-Ga15-bla HEK293T cells incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay relative to control
50012613	3	ChEMBL_2064634 (CHEMBL4719887)	Antagonist activity at human S1P3 expressed in EDG3-Ga15-bla HEK293T cells incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay relative to control
50012613	4	ChEMBL_2064643 (CHEMBL4719896)	Inhibition of CYP3A4 (unknown origin)
50012613	5	ChEMBL_2064644 (CHEMBL4719897)	Inhibition of CYP2D6 (unknown origin)
50012613	6	ChEMBL_2064645 (CHEMBL4719898)	Inhibition of CYP2C8 (unknown origin)
50012613	7	ChEMBL_2064646 (CHEMBL4719899)	Inhibition of CYP2C9 (unknown origin)
50012613	8	ChEMBL_2064647 (CHEMBL4719900)	Inhibition of CYP2C19 (unknown origin)
50012617	1	ChEMBL_2064679 (CHEMBL4719932)	Agonist activity at human recombinant mGlu6 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as increase in calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	2	ChEMBL_2064688 (CHEMBL4719941)	Antagonist activity at human recombinant mGlu2 receptor stably expressed in golden hamster AV12 cells co-expressing rat EAAT1 assessed as reduction in DCG IV-induced inhibition of forskolin-stimulated cAMP accumulation preincubated for 20 mins followed by incubation with cAMP-d2 conjugate and anti-cAMP cryptate for 1 hr by HTRF assay
50012617	3	ChEMBL_2064689 (CHEMBL4719942)	Antagonist activity at human recombinant mGlu3 receptor stably expressed in golden hamster AV12 cells co-expressing rat EAAT1 assessed as reduction in DCG IV-induced inhibition of forskolin-stimulated cAMP accumulation preincubated for 20 mins followed by incubation with cAMP-d2 conjugate and anti-cAMP cryptate for 1 hr by HTRF assay
50012617	4	ChEMBL_2064690 (CHEMBL4719943)	Agonist activity at mGlu2 (unknown origin)
50012617	5	ChEMBL_2064691 (CHEMBL4719944)	Agonist activity at mGlu3 (unknown origin)
50012617	6	ChEMBL_2064694 (CHEMBL4719947)	Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90 mins by top count scintillation method
50012617	7	ChEMBL_2064695 (CHEMBL4719948)	Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90 mins by top count scintillation method
50012617	8	ChEMBL_2064697 (CHEMBL4719950)	Antagonist activity at human recombinant mGlu2 receptor stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	9	ChEMBL_2064698 (CHEMBL4719951)	Antagonist activity at human recombinant mGlu3 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	10	ChEMBL_2064699 (CHEMBL4719952)	Agonist activity at human recombinant mGlu1 stably expressed in golden hamster AV12 cell membrane co-expressing Gq assessed as assessed as increase in calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	11	ChEMBL_2064700 (CHEMBL4719953)	Antagonist activity at human recombinant mGlu1 stably expressed in golden hamster AV12 cell membrane co-expressing Gq assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	12	ChEMBL_2064705 (CHEMBL4719958)	Agonist activity at human recombinant mGlu4 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as increase in calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	13	ChEMBL_2064706 (CHEMBL4719959)	Antagonist activity human recombinant mGlu4 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	14	ChEMBL_2064711 (CHEMBL4719964)	Antagonist activity at human recombinant mGlu6 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	15	ChEMBL_2064712 (CHEMBL4719965)	Agonist activity at human recombinant mGlu5 stably expressed in golden hamster AV12 cell membrane co-expressing Gq assessed as assessed as increase in calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	16	ChEMBL_2064713 (CHEMBL4719966)	Antagonist activity at human recombinant mGlu5 stably expressed in golden hamster AV12 cell membrane co-expressing Gq assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	17	ChEMBL_2064718 (CHEMBL4719971)	Agonist activity at human recombinant mGlu8 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as increase in calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012617	18	ChEMBL_2064719 (CHEMBL4719972)	Antagonist activity at human recombinant mGlu8 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as reduction in glutamate-induced calcium influx incubated for 90 to 120 min by Fluo-4-AM dye based FLIPR assay
50012618	1	ChEMBL_2064766 (CHEMBL4720019)	Inhibition of BCR (unknown origin)/recombinant human N-terminal His-tagged ABL1 (27 to end residues) expressed in baculovirus infected Sf9 cells using ABLtide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr in presence of ATP by kinase-Glo luminescence assay
50012619	1	ChEMBL_2064771 (CHEMBL4720024)	Inverse agonist activity at human CB1 receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation measured after 30 mins by HTRF assay
50012619	2	ChEMBL_2064772 (CHEMBL4720025)	Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as forskolin-stimulated cAMP accumulation measured after 30 mins by HTRF assay
50012620	1	ChEMBL_2064773 (CHEMBL4720026)	Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin A-induced intracellular Ca2+ release by FLIPR assay
50012620	2	ChEMBL_2064774 (CHEMBL4720027)	Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin A-induced intracellular Ca2+ release by FLIPR assay
50012621	1	ChEMBL_2064905 (CHEMBL4720158)	Inhibition of BTK (unknown origin) by caliper mobility shift assay
50012621	2	ChEMBL_2064911 (CHEMBL4720164)	Reversible inhibition of BTK (unknown origin) assessed as dissociation rate constant by caliper mobility shift assay
50012621	3	ChEMBL_2064912 (CHEMBL4720165)	Inhibition of human ERG expressed in CHO cells by automated Q-patch clamp assay
50012621	4	ChEMBL_2064944 (CHEMBL4720197)	Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	5	ChEMBL_2064945 (CHEMBL4720198)	Inhibition of human liver microsome CYP3A4 using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	6	ChEMBL_2064946 (CHEMBL4720199)	Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	7	ChEMBL_2064947 (CHEMBL4720200)	Inhibition of human liver microsome CYP2C19 using omeprazole as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	8	ChEMBL_2064948 (CHEMBL4720201)	Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	9	ChEMBL_2064949 (CHEMBL4720202)	Inhibition of human liver microsome CYP2E1 using chlorzoxazone as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10 mins in shaking water bath by LC-MS/MS analysis
50012621	10	ChEMBL_2064964 (CHEMBL4720217)	Inhibition of BMX (unknown origin)
50012621	11	ChEMBL_2064965 (CHEMBL4720218)	Inhibition of Tec (unknown origin)
50012621	12	ChEMBL_2064966 (CHEMBL4720219)	Inhibition of ITK (unknown origin)
50012621	13	ChEMBL_2064967 (CHEMBL4720220)	Inhibition of TXK (unknown origin)
50012621	14	ChEMBL_2064968 (CHEMBL4720221)	Inhibition of BLK (unknown origin)
50012621	15	ChEMBL_2064969 (CHEMBL4720222)	Inhibition of recombinant human EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 15 mins by LANCE assay
50012621	16	ChEMBL_2064970 (CHEMBL4720223)	Inhibition of ErBB2 (unknown origin)
50012621	17	ChEMBL_2064971 (CHEMBL4720224)	Inhibition of ErBB4 (unknown origin)
50012621	18	ChEMBL_2064972 (CHEMBL4720225)	Inhibition of MKK7beta (unknown origin)
50012621	19	ChEMBL_2064973 (CHEMBL4720226)	Inhibition of recombinant human JAK3 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay
50012621	20	ChEMBL_2064974 (CHEMBL4720227)	Inhibition of JAK1 (unknown origin)
50012621	21	ChEMBL_2064975 (CHEMBL4720228)	Inhibition of recombinant human JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay
50012621	22	ChEMBL_2064976 (CHEMBL4720229)	Inhibition of CAMK1 (unknown origin)
50012621	23	ChEMBL_2064977 (CHEMBL4720230)	Inhibition of CAMK2 (unknown origin)
50012621	24	ChEMBL_2064978 (CHEMBL4720231)	Inhibition of CAMK4 (unknown origin)
50012621	25	ChEMBL_2064979 (CHEMBL4720232)	Inhibition of CAMKK1 (unknown origin)
50012621	26	ChEMBL_2064980 (CHEMBL4720233)	Inhibition of CAMKK2 (unknown origin)
50012621	27	ChEMBL_2064981 (CHEMBL4720234)	Inhibition of CSK (unknown origin)
50012621	28	ChEMBL_2064983 (CHEMBL4720236)	Inhibition of recombinant human MEK1 using inactivated ERK2 as substrate incubate for 60 mins by LANCE assay
50012621	29	ChEMBL_2064984 (CHEMBL4720237)	Inhibition of recombinant human RSK2 using Histone H3 full length as substrate incubate for 10 mins by LANCE assay
50012621	30	ChEMBL_2064985 (CHEMBL4720238)	Inhibition of RSK1 (unknown origin)
50012621	31	ChEMBL_2064986 (CHEMBL4720239)	Inhibition of MEK2 (unknown origin)
50012621	32	ChEMBL_2064987 (CHEMBL4720240)	Inhibition of RET (unknown origin)
50012621	33	ChEMBL_2064989 (CHEMBL4720242)	Inhibition of MEKK2 (unknown origin)
50012621	34	ChEMBL_2064990 (CHEMBL4720243)	Inhibition of MEKK3 (unknown origin)
50012621	35	ChEMBL_2064991 (CHEMBL4720244)	Inhibition of MKK4 (unknown origin)
50012621	36	ChEMBL_2064992 (CHEMBL4720245)	Inhibition of MKK6 (unknown origin)
50012621	37	ChEMBL_2064993 (CHEMBL4720246)	Inhibition of recombinant human p70S6K using CREBtide as substrate incubate for 15 mins by LANCE assay
50012621	38	ChEMBL_2064994 (CHEMBL4720247)	Inhibition of FGR (unknown origin)
50012621	39	ChEMBL_2064995 (CHEMBL4720248)	Inhibition of FRK (unknown origin)
50012621	40	ChEMBL_2064996 (CHEMBL4720249)	Inhibition of mTOR (unknown origin)
50012621	41	ChEMBL_2064997 (CHEMBL4720250)	Inhibition of recombinant human FMS using Ulight-TK peptide as substrate incubate for 15 mins by LANCE assay
50012621	42	ChEMBL_2064998 (CHEMBL4720251)	Inhibition of FLT3 (unknown origin)
50012621	43	ChEMBL_2064999 (CHEMBL4720252)	Inhibition of HCK (unknown origin)
50012621	44	ChEMBL_2065000 (CHEMBL4720253)	Inhibition of recombinant human YES using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 30 mins by LANCE assay
50012621	45	ChEMBL_2065001 (CHEMBL4720254)	Inhibition of recombinant human FYN using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 60 mins by LANCE assay
50012621	46	ChEMBL_2065002 (CHEMBL4720255)	Inhibition of recombinant human LCK using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
50012621	47	ChEMBL_2065003 (CHEMBL4720256)	Inhibition of recombinant human LYN using biotinyl-beta Abeta-Abeta AKVEKIGEGTYGVVYK as substrate incubate for 120 mins by LANCE assay
50012621	48	ChEMBL_2065004 (CHEMBL4720257)	Inhibition of recombinant human SRC using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
50012621	49	ChEMBL_2065005 (CHEMBL4720258)	Inhibition of RSK3 (unknown origin)
50012621	50	ChEMBL_2065006 (CHEMBL4720259)	Inhibition of RSK4 (unknown origin)
50012621	51	ChEMBL_2065007 (CHEMBL4720260)	Inhibition of recombinant human TAK1 using Ulight-FLGFTYVAP as substrate incubate for 90 mins by LANCE assay
50012621	52	ChEMBL_2065008 (CHEMBL4720261)	Inhibition of SYK (unknown origin)
50012621	53	ChEMBL_2065009 (CHEMBL4720262)	Inhibition of recombinant human TRKa using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
50012621	54	ChEMBL_2065010 (CHEMBL4720263)	Inhibition of recombinant human TRKb using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
50012621	55	ChEMBL_2065011 (CHEMBL4720264)	Inhibition of TRKc (unknown origin)
50012622	1	ChEMBL_2065020 (CHEMBL4720273)	Inhibition of human Nav1.6 expressed in HEK293 cells incubated for 30 mins by FLIPRTetra fluorescent membrane potential assay
50012622	2	ChEMBL_2065021 (CHEMBL4720274)	Inhibition of human Nav1.6 expressed in HEK293 cells assessed as decrease in peak current at pulses to 0 mV by whole cell patch clamp assay
50012623	1	ChEMBL_2065253 (CHEMBL4720506)	Inhibition of human ZIPK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	2	ChEMBL_2065254 (CHEMBL4720507)	Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	3	ChEMBL_2065255 (CHEMBL4720508)	Inhibition of human YSK4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	4	ChEMBL_2065256 (CHEMBL4720509)	Inhibition of human YES using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	5	ChEMBL_2065257 (CHEMBL4720510)	Inhibition of human WNK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	6	ChEMBL_2065258 (CHEMBL4720511)	Inhibition of human WNK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	7	ChEMBL_2065259 (CHEMBL4720512)	Inhibition of human ULK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	8	ChEMBL_2065260 (CHEMBL4720513)	Inhibition of human ULK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	9	ChEMBL_2065261 (CHEMBL4720514)	Inhibition of human ULK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	10	ChEMBL_2065262 (CHEMBL4720515)	Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	11	ChEMBL_2065263 (CHEMBL4720516)	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50012623	12	ChEMBL_2065264 (CHEMBL4720517)	Inhibition of human TYK1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	13	ChEMBL_2065265 (CHEMBL4720518)	Inhibition of human TXK using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	14	ChEMBL_2065266 (CHEMBL4720519)	Inhibition of human TSSK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	15	ChEMBL_2065267 (CHEMBL4720520)	Inhibition of human TSSK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	16	ChEMBL_2065268 (CHEMBL4720521)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	17	ChEMBL_2065269 (CHEMBL4720522)	Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	18	ChEMBL_2065270 (CHEMBL4720523)	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	19	ChEMBL_2065271 (CHEMBL4720524)	Inhibition of human TNK1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	20	ChEMBL_2065272 (CHEMBL4720525)	Inhibition of human TLK2 using casein as substrate by [gamma-33P]-ATP assay
50012623	21	ChEMBL_2065273 (CHEMBL4720526)	Inhibition of human TNIK using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50012623	22	ChEMBL_2065274 (CHEMBL4720527)	Inhibition of human TLK1 using Histone H3 as substrate by [gamma-33P]-ATP assay
50012623	23	ChEMBL_2065275 (CHEMBL4720528)	Inhibition of human TIE2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	24	ChEMBL_2065276 (CHEMBL4720529)	Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	25	ChEMBL_2065277 (CHEMBL4720530)	Inhibition of human TESK1 using cofilin as substrate by [gamma-33P]-ATP assay
50012623	26	ChEMBL_2065278 (CHEMBL4720531)	Inhibition of human TBK1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	27	ChEMBL_2065279 (CHEMBL4720532)	Inhibition of human TAOK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	28	ChEMBL_2065280 (CHEMBL4720533)	Inhibition of human TAOK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	29	ChEMBL_2065281 (CHEMBL4720534)	Inhibition of human TAOK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	30	ChEMBL_2065282 (CHEMBL4720535)	Inhibition of human TAK1 using casein as substrate by [gamma-33P]-ATP assay
50012623	31	ChEMBL_2065283 (CHEMBL4720536)	Inhibition of human STK39 using MBP as substrate by [gamma-33P]-ATP assay
50012623	32	ChEMBL_2065284 (CHEMBL4720537)	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	33	ChEMBL_2065285 (CHEMBL4720538)	Inhibition of human STK38L using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50012623	34	ChEMBL_2065286 (CHEMBL4720539)	Inhibition of human STK38 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50012623	35	ChEMBL_2065287 (CHEMBL4720540)	Inhibition of human STK32C using MBP as substrate by [gamma-33P]-ATP assay
50012623	36	ChEMBL_2065288 (CHEMBL4720541)	Inhibition of human STK33 using MBP as substrate by [gamma-33P]-ATP assay
50012623	37	ChEMBL_2065289 (CHEMBL4720542)	Inhibition of human STK32B using MBP as substrate by [gamma-33P]-ATP assay
50012623	38	ChEMBL_2065290 (CHEMBL4720543)	Inhibition of human STK25 using MBP as substrate by [gamma-33P]-ATP assay
50012623	39	ChEMBL_2065291 (CHEMBL4720544)	Inhibition of human STK21 using MBP as substrate by [gamma-33P]-ATP assay
50012623	40	ChEMBL_2065292 (CHEMBL4720545)	Inhibition of human STK22D using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	41	ChEMBL_2065293 (CHEMBL4720546)	Inhibition of human STK16 using MBP as substrate by [gamma-33P]-ATP assay
50012623	42	ChEMBL_2065294 (CHEMBL4720547)	Inhibition of human SRPK2 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50012623	43	ChEMBL_2065295 (CHEMBL4720548)	Inhibition of human SSTK using MBP as substrate by [gamma-33P]-ATP assay
50012623	44	ChEMBL_2065296 (CHEMBL4720549)	Inhibition of human SRPK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50012623	45	ChEMBL_2065297 (CHEMBL4720550)	Inhibition of human SNRK using MBP as substrate by [gamma-33P]-ATP assay
50012623	46	ChEMBL_2065298 (CHEMBL4720551)	Inhibition of human SRMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	47	ChEMBL_2065299 (CHEMBL4720552)	Inhibition of human SNARK using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	48	ChEMBL_2065300 (CHEMBL4720553)	Inhibition of human SLK using Histone H3 as substrate by [gamma-33P]-ATP assay
50012623	49	ChEMBL_2065301 (CHEMBL4720554)	Inhibition of human SIK3 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50012623	50	ChEMBL_2065302 (CHEMBL4720555)	Inhibition of human SIK2 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50012623	51	ChEMBL_2065303 (CHEMBL4720556)	Inhibition of human SGK3 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	52	ChEMBL_2065304 (CHEMBL4720557)	Inhibition of human SIK1 using AMARAASAAALARRR as substrate by [gamma-33P]-ATP assay
50012623	53	ChEMBL_2065305 (CHEMBL4720558)	Inhibition of human SGK2 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	54	ChEMBL_2065306 (CHEMBL4720559)	Inhibition of human SBK1 using LCGRTGRRNSI as substrate by [gamma-33P]-ATP assay
50012623	55	ChEMBL_2065307 (CHEMBL4720560)	Inhibition of human SGK1 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	56	ChEMBL_2065308 (CHEMBL4720561)	Inhibition of human RSK4 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	57	ChEMBL_2065309 (CHEMBL4720562)	Inhibition of human RSK2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	58	ChEMBL_2065310 (CHEMBL4720563)	Inhibition of human RSK3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	59	ChEMBL_2065311 (CHEMBL4720564)	Inhibition of human RSK1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	60	ChEMBL_2065312 (CHEMBL4720565)	Inhibition of human ROS using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50012623	61	ChEMBL_2065313 (CHEMBL4720566)	Inhibition of human RON using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50012623	62	ChEMBL_2065314 (CHEMBL4720567)	Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	63	ChEMBL_2065315 (CHEMBL4720568)	Inhibition of human ROCK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	64	ChEMBL_2065316 (CHEMBL4720569)	Inhibition of human RIPK5 using MBP as substrate by [gamma-33P]-ATP assay
50012623	65	ChEMBL_2065317 (CHEMBL4720570)	Inhibition of human RIPK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	66	ChEMBL_2065318 (CHEMBL4720571)	Inhibition of human RET using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	67	ChEMBL_2065319 (CHEMBL4720572)	Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	68	ChEMBL_2065320 (CHEMBL4720573)	Inhibition of human PRKX using LRRASLG as substrate by [gamma-33P]-ATP assay
50012623	69	ChEMBL_2065321 (CHEMBL4720574)	Inhibition of human PLK4 using casein as substrate by [gamma-33P]-ATP assay
50012623	70	ChEMBL_2065322 (CHEMBL4720575)	Inhibition of human PLK3 using casein as substrate by [gamma-33P]-ATP assay
50012623	71	ChEMBL_2065323 (CHEMBL4720576)	Inhibition of human PLK1 using casein as substrate by [gamma-33P]-ATP assay
50012623	72	ChEMBL_2065324 (CHEMBL4720577)	Inhibition of human PLK2 using casein as substrate by [gamma-33P]-ATP assay
50012623	73	ChEMBL_2065325 (CHEMBL4720578)	Inhibition of human PKN3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	74	ChEMBL_2065326 (CHEMBL4720579)	Inhibition of human PKN2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	75	ChEMBL_2065327 (CHEMBL4720580)	Inhibition of human PKN1 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	76	ChEMBL_2065328 (CHEMBL4720581)	Inhibition of human PKG2 using LRRASLG as substrate by [gamma-33P]-ATP assay
50012623	77	ChEMBL_2065329 (CHEMBL4720582)	Inhibition of human PKG1beta using LRRASLG as substrate by [gamma-33P]-ATP assay
50012623	78	ChEMBL_2065330 (CHEMBL4720583)	Inhibition of human PKG1alpha using LRRASLG as substrate by [gamma-33P]-ATP assay
50012623	79	ChEMBL_2065331 (CHEMBL4720584)	Inhibition of human PKD2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	80	ChEMBL_2065332 (CHEMBL4720585)	Inhibition of human PKCzeta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	81	ChEMBL_2065333 (CHEMBL4720586)	Inhibition of human PKCtheta using Histone H1 as substrate by [gamma-33P]-ATP assay
50012623	82	ChEMBL_2065334 (CHEMBL4720587)	Inhibition of human PKCnu using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	83	ChEMBL_2065335 (CHEMBL4720588)	Inhibition of human PKCmu using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	84	ChEMBL_2065336 (CHEMBL4720589)	Inhibition of human PKCiota using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	85	ChEMBL_2065337 (CHEMBL4720590)	Inhibition of human PKCgamma using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	86	ChEMBL_2065338 (CHEMBL4720591)	Inhibition of human PKCeta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	87	ChEMBL_2065339 (CHEMBL4720592)	Inhibition of human PKCepsilon using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	88	ChEMBL_2065340 (CHEMBL4720593)	Inhibition of human PKCdelta using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	89	ChEMBL_2065341 (CHEMBL4720594)	Inhibition of human PKCb2 using Histone H1 as substrate by [gamma-33P]-ATP assay
50012623	90	ChEMBL_2065342 (CHEMBL4720595)	Inhibition of human PKCb1 using Histone H1 as substrate by [gamma-33P]-ATP assay
50012623	91	ChEMBL_2065343 (CHEMBL4720596)	Inhibition of human PKCalpha using ERMRPRKRQGSVRRRV as substrate by [gamma-33P]-ATP assay
50012623	92	ChEMBL_2065344 (CHEMBL4720597)	Inhibition of human PKAcg using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	93	ChEMBL_2065345 (CHEMBL4720598)	Inhibition of human PKAcb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	94	ChEMBL_2065347 (CHEMBL4720600)	Inhibition of human PIM3 using RSRHSSYPAGT as substrate by [gamma-33P]-ATP assay
50012623	95	ChEMBL_2065348 (CHEMBL4720601)	Inhibition of human PIM2 using RSRHSSYPAGT as substrate by [gamma-33P]-ATP assay
50012623	96	ChEMBL_2065349 (CHEMBL4720602)	Inhibition of human PIM1 using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50012623	97	ChEMBL_2065350 (CHEMBL4720603)	Inhibition of human PHKgamma1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	98	ChEMBL_2065351 (CHEMBL4720604)	Inhibition of human PHKgamma2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	99	ChEMBL_2065352 (CHEMBL4720605)	Inhibition of human PDK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	100	ChEMBL_2065353 (CHEMBL4720606)	Inhibition of human PEAK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	101	ChEMBL_2065354 (CHEMBL4720607)	Inhibition of human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	102	ChEMBL_2065355 (CHEMBL4720608)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	103	ChEMBL_2065356 (CHEMBL4720609)	Inhibition of human PASK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	104	ChEMBL_2065357 (CHEMBL4720610)	Inhibition of human PBK using MBP as substrate by [gamma-33P]-ATP assay
50012623	105	ChEMBL_2065358 (CHEMBL4720611)	Inhibition of human PAK6 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	106	ChEMBL_2065359 (CHEMBL4720612)	Inhibition of human PAK4 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	107	ChEMBL_2065360 (CHEMBL4720613)	Inhibition of human PAK5 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	108	ChEMBL_2065361 (CHEMBL4720614)	Inhibition of human PAK3 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	109	ChEMBL_2065362 (CHEMBL4720615)	Inhibition of human PAK2 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	110	ChEMBL_2065363 (CHEMBL4720616)	Inhibition of human p70S6Kb using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50012623	111	ChEMBL_2065364 (CHEMBL4720617)	Inhibition of human PAK1 using RRRLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	112	ChEMBL_2065365 (CHEMBL4720618)	Inhibition of human p70S6K using KKRNRTLTK as substrate by [gamma-33P]-ATP assay
50012623	113	ChEMBL_2065366 (CHEMBL4720619)	Inhibition of human p38delta using MBP as substrate by [gamma-33P]-ATP assay
50012623	114	ChEMBL_2065367 (CHEMBL4720620)	Inhibition of human p38gamma using MBP as substrate by [gamma-33P]-ATP assay
50012623	115	ChEMBL_2065368 (CHEMBL4720621)	Inhibition of human OSR1 using RRHYYYDTHTNTYYLRTFGHNTRR as substrate by [gamma-33P]-ATP assay
50012623	116	ChEMBL_2065369 (CHEMBL4720622)	Inhibition of human NIM1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	117	ChEMBL_2065370 (CHEMBL4720623)	Inhibition of human NLK using MBP as substrate by [gamma-33P]-ATP assay
50012623	118	ChEMBL_2065371 (CHEMBL4720624)	Inhibition of human NEK9 using casein as substrate by [gamma-33P]-ATP assay
50012623	119	ChEMBL_2065372 (CHEMBL4720625)	Inhibition of human NEK5 using MBP as substrate by [gamma-33P]-ATP assay
50012623	120	ChEMBL_2065373 (CHEMBL4720626)	Inhibition of human NEK8 using casein as substrate by [gamma-33P]-ATP assay
50012623	121	ChEMBL_2065374 (CHEMBL4720627)	Inhibition of human NEK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	122	ChEMBL_2065375 (CHEMBL4720628)	Inhibition of human NEK4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	123	ChEMBL_2065376 (CHEMBL4720629)	Inhibition of human NEK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	124	ChEMBL_2065377 (CHEMBL4720630)	Inhibition of human NEK11 using MBP as substrate by [gamma-33P]-ATP assay
50012623	125	ChEMBL_2065378 (CHEMBL4720631)	Inhibition of human NEK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	126	ChEMBL_2065379 (CHEMBL4720632)	Inhibition of human MYO3A using MBP as substrate by [gamma-33P]-ATP assay
50012623	127	ChEMBL_2065380 (CHEMBL4720633)	Inhibition of human MYO3B using MBP as substrate by [gamma-33P]-ATP assay
50012623	128	ChEMBL_2065381 (CHEMBL4720634)	Inhibition of human MYLK4 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50012623	129	ChEMBL_2065382 (CHEMBL4720635)	Inhibition of human MYLK3 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50012623	130	ChEMBL_2065383 (CHEMBL4720636)	Inhibition of human MUSK using MBP as substrate by [gamma-33P]-ATP assay
50012623	131	ChEMBL_2065384 (CHEMBL4720637)	Inhibition of human MST3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	132	ChEMBL_2065385 (CHEMBL4720638)	Inhibition of human MST4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	133	ChEMBL_2065386 (CHEMBL4720639)	Inhibition of human MST2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	134	ChEMBL_2065387 (CHEMBL4720640)	Inhibition of human MST1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50012623	135	ChEMBL_2065388 (CHEMBL4720641)	Inhibition of human MSSK1 using GRSRSRSRSR as substrate by [gamma-33P]-ATP assay
50012623	136	ChEMBL_2065389 (CHEMBL4720642)	Inhibition of human MSK1 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	137	ChEMBL_2065390 (CHEMBL4720643)	Inhibition of human MSK2 using GRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	138	ChEMBL_2065391 (CHEMBL4720644)	Inhibition of human MRCKbeta using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	139	ChEMBL_2065392 (CHEMBL4720645)	Inhibition of human MRCKalpha using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay
50012623	140	ChEMBL_2065393 (CHEMBL4720646)	Inhibition of human MNK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	141	ChEMBL_2065394 (CHEMBL4720647)	Inhibition of human MLK4 using MEK1 as substrate by [gamma-33P]-ATP assay
50012623	142	ChEMBL_2065395 (CHEMBL4720648)	Inhibition of human MNK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	143	ChEMBL_2065396 (CHEMBL4720649)	Inhibition of human MLK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	144	ChEMBL_2065397 (CHEMBL4720650)	Inhibition of human MLK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	145	ChEMBL_2065398 (CHEMBL4720651)	Inhibition of human MLK1 using casein as substrate by [gamma-33P]-ATP assay
50012623	146	ChEMBL_2065399 (CHEMBL4720652)	Inhibition of human MLCK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	147	ChEMBL_2065400 (CHEMBL4720653)	Inhibition of human MLCK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	148	ChEMBL_2065401 (CHEMBL4720654)	Inhibition of human MKK7 using JNK as substrate by [gamma-33P]-ATP assay
50012623	149	ChEMBL_2065402 (CHEMBL4720655)	Inhibition of human MKK6 using p38alpha as substrate by [gamma-33P]-ATP assay
50012623	150	ChEMBL_2065403 (CHEMBL4720656)	Inhibition of human MINK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	151	ChEMBL_2065404 (CHEMBL4720657)	Inhibition of human MKK4 using JNK1 as substrate by [gamma-33P]-ATP assay
50012623	152	ChEMBL_2065405 (CHEMBL4720658)	Inhibition of human MELK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	153	ChEMBL_2065406 (CHEMBL4720659)	Inhibition of human MEKK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	154	ChEMBL_2065407 (CHEMBL4720660)	Inhibition of human MEKK6 using MBP as substrate by [gamma-33P]-ATP assay
50012623	155	ChEMBL_2065408 (CHEMBL4720661)	Inhibition of human MEKK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	156	ChEMBL_2065409 (CHEMBL4720662)	Inhibition of human MEK5 using ERK5 as substrate by [gamma-33P]-ATP assay
50012623	157	ChEMBL_2065410 (CHEMBL4720663)	Inhibition of human MEKK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	158	ChEMBL_2065411 (CHEMBL4720664)	Inhibition of human MEK3 using p38alpha as substrate by [gamma-33P]-ATP assay
50012623	159	ChEMBL_2065412 (CHEMBL4720665)	Inhibition of human MEK1 using ERK2 as substrate by [gamma-33P]-ATP assay
50012623	160	ChEMBL_2065413 (CHEMBL4720666)	Inhibition of human MEK2 using ERK2 as substrate by [gamma-33P]-ATP assay
50012623	161	ChEMBL_2065414 (CHEMBL4720667)	Inhibition of human MARK4 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	162	ChEMBL_2065415 (CHEMBL4720668)	Inhibition of human MARK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	163	ChEMBL_2065416 (CHEMBL4720669)	Inhibition of human MARK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	164	ChEMBL_2065417 (CHEMBL4720670)	Inhibition of human MARK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	165	ChEMBL_2065418 (CHEMBL4720671)	Inhibition of human MAPKAPK3 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	166	ChEMBL_2065419 (CHEMBL4720672)	Inhibition of human MAPKAPK5 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	167	ChEMBL_2065420 (CHEMBL4720673)	Inhibition of human MAPKAPK2 using KKLNRTLSVA as substrate by [gamma-33P]-ATP assay
50012623	168	ChEMBL_2065421 (CHEMBL4720674)	Inhibition of human LYN-B using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	169	ChEMBL_2065422 (CHEMBL4720675)	Inhibition of human MAK using MBP as substrate by [gamma-33P]-ATP assay
50012623	170	ChEMBL_2065423 (CHEMBL4720676)	Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	171	ChEMBL_2065424 (CHEMBL4720677)	Inhibition of human LOK using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50012623	172	ChEMBL_2065425 (CHEMBL4720678)	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate by [gamma-33P]-ATP assay
50012623	173	ChEMBL_2065426 (CHEMBL4720679)	Inhibition of human LKB1 using LSNLYHQGKFLQTFCGSPLYRRR as substrate by [gamma-33P]-ATP assay
50012623	174	ChEMBL_2065427 (CHEMBL4720680)	Inhibition of human LIMK1 using cofilin as substrate by [gamma-33P]-ATP assay
50012623	175	ChEMBL_2065428 (CHEMBL4720681)	Inhibition of human LIMK2 using cofilin as substrate by [gamma-33P]-ATP assay
50012623	176	ChEMBL_2065429 (CHEMBL4720682)	Inhibition of human LCK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	177	ChEMBL_2065430 (CHEMBL4720683)	Inhibition of human LATS2 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50012623	178	ChEMBL_2065431 (CHEMBL4720684)	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	179	ChEMBL_2065432 (CHEMBL4720685)	Inhibition of human LATS1 using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50012623	180	ChEMBL_2065433 (CHEMBL4720686)	Inhibition of human KSR2 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay
50012623	181	ChEMBL_2065434 (CHEMBL4720687)	Inhibition of human KSR1 using KRREILSRRPSYR as substrate by [gamma-33P]-ATP assay
50012623	182	ChEMBL_2065435 (CHEMBL4720688)	Inhibition of human KHS using MBP as substrate by [gamma-33P]-ATP assay
50012623	183	ChEMBL_2065436 (CHEMBL4720689)	Inhibition of human JNK2 using ATF2 as substrate by [gamma-33P]-ATP assay
50012623	184	ChEMBL_2065437 (CHEMBL4720690)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	185	ChEMBL_2065438 (CHEMBL4720691)	Inhibition of human JAK3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	186	ChEMBL_2065439 (CHEMBL4720692)	Inhibition of human JNK1 using ATF2 as substrate by [gamma-33P]-ATP assay
50012623	187	ChEMBL_2065440 (CHEMBL4720693)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	188	ChEMBL_2065441 (CHEMBL4720694)	Inhibition of human ITK using MBP as substrate by [gamma-33P]-ATP assay
50012623	189	ChEMBL_2065442 (CHEMBL4720695)	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	190	ChEMBL_2065443 (CHEMBL4720696)	Inhibition of human IRAK4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	191	ChEMBL_2065444 (CHEMBL4720697)	Inhibition of human IRR using MBP as substrate by [gamma-33P]-ATP assay
50012623	192	ChEMBL_2065445 (CHEMBL4720698)	Inhibition of human IRAK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	193	ChEMBL_2065446 (CHEMBL4720699)	Inhibition of human IR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	194	ChEMBL_2065447 (CHEMBL4720700)	Inhibition of human IKKepsilon using casein as substrate by [gamma-33P]-ATP assay
50012623	195	ChEMBL_2065448 (CHEMBL4720701)	Inhibition of human IKKbeta using KKKKERLLDDRHDSGLDSMKDEE as substrate by [gamma-33P]-ATP assay
50012623	196	ChEMBL_2065449 (CHEMBL4720702)	Inhibition of human IKKalpha using KKKKERLLDDRHDSGLDSMKDEE as substrate by [gamma-33P]-ATP assay
50012623	197	ChEMBL_2065450 (CHEMBL4720703)	Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50012623	198	ChEMBL_2065451 (CHEMBL4720704)	Inhibition of human HIPK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	199	ChEMBL_2065452 (CHEMBL4720705)	Inhibition of human HIPK4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	200	ChEMBL_2065453 (CHEMBL4720706)	Inhibition of human HGK using MBP as substrate by [gamma-33P]-ATP assay
50012623	201	ChEMBL_2065454 (CHEMBL4720707)	Inhibition of human HIPK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	202	ChEMBL_2065455 (CHEMBL4720708)	Inhibition of human HCK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay
50012623	203	ChEMBL_2065456 (CHEMBL4720709)	Inhibition of human haspin using Histone H3 as substrate by [gamma-33P]-ATP assay
50012623	204	ChEMBL_2065457 (CHEMBL4720710)	Inhibition of human GSK3B using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by [gamma-33P]-ATP assay
50012623	205	ChEMBL_2065458 (CHEMBL4720711)	Inhibition of human GSK3A using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by [gamma-33P]-ATP assay
50012623	206	ChEMBL_2065459 (CHEMBL4720712)	Inhibition of human GRK7 using casein as substrate by [gamma-33P]-ATP assay
50012623	207	ChEMBL_2065460 (CHEMBL4720713)	Inhibition of human GRK6 using casein as substrate by [gamma-33P]-ATP assay
50012623	208	ChEMBL_2065461 (CHEMBL4720714)	Inhibition of human GRK5 using casein as substrate by [gamma-33P]-ATP assay
50012623	209	ChEMBL_2065462 (CHEMBL4720715)	Inhibition of human GRK4 using casein as substrate by [gamma-33P]-ATP assay
50012623	210	ChEMBL_2065463 (CHEMBL4720716)	Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay
50012623	211	ChEMBL_2065464 (CHEMBL4720717)	Inhibition of human GRK2 using casein as substrate by [gamma-33P]-ATP assay
50012623	212	ChEMBL_2065465 (CHEMBL4720718)	Inhibition of human GRK1 using casein as substrate by [gamma-33P]-ATP assay
50012623	213	ChEMBL_2065466 (CHEMBL4720719)	Inhibition of human GLK using MBP as substrate by [gamma-33P]-ATP assay
50012623	214	ChEMBL_2065467 (CHEMBL4720720)	Inhibition of human GCK using MBP as substrate by [gamma-33P]-ATP assay
50012623	215	ChEMBL_2065468 (CHEMBL4720721)	Inhibition of human FYN using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	216	ChEMBL_2065469 (CHEMBL4720722)	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	217	ChEMBL_2065470 (CHEMBL4720723)	Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	218	ChEMBL_2065471 (CHEMBL4720724)	Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	219	ChEMBL_2065472 (CHEMBL4720725)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	220	ChEMBL_2065473 (CHEMBL4720726)	Inhibition of human FLT1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	221	ChEMBL_2065474 (CHEMBL4720727)	Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	222	ChEMBL_2065475 (CHEMBL4720728)	Inhibition of human FGFR4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	223	ChEMBL_2065476 (CHEMBL4720729)	Inhibition of human FGFR3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	224	ChEMBL_2065477 (CHEMBL4720730)	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	225	ChEMBL_2065478 (CHEMBL4720731)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50012623	226	ChEMBL_2065479 (CHEMBL4720732)	Inhibition of human FES using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	227	ChEMBL_2065480 (CHEMBL4720733)	Inhibition of human FER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	228	ChEMBL_2065481 (CHEMBL4720734)	Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	229	ChEMBL_2065482 (CHEMBL4720735)	Inhibition of human ERN2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	230	ChEMBL_2065483 (CHEMBL4720736)	Inhibition of human ERN1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	231	ChEMBL_2065484 (CHEMBL4720737)	Inhibition of human ERK7 using MBP as substrate by [gamma-33P]-ATP assay
50012623	232	ChEMBL_2065485 (CHEMBL4720738)	Inhibition of human ERK5 using MBP as substrate by [gamma-33P]-ATP assay
50012623	233	ChEMBL_2065486 (CHEMBL4720739)	Inhibition of human ERK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	234	ChEMBL_2065487 (CHEMBL4720740)	Inhibition of human ERK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	235	ChEMBL_2065488 (CHEMBL4720741)	Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	236	ChEMBL_2065489 (CHEMBL4720742)	Inhibition of human ERBB2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	237	ChEMBL_2065490 (CHEMBL4720743)	Inhibition of human EPHB3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	238	ChEMBL_2065491 (CHEMBL4720744)	Inhibition of human EPHB4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	239	ChEMBL_2065492 (CHEMBL4720745)	Inhibition of human EPHB2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	240	ChEMBL_2065493 (CHEMBL4720746)	Inhibition of human EPHA8 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	241	ChEMBL_2065494 (CHEMBL4720747)	Inhibition of human EPHB1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	242	ChEMBL_2065495 (CHEMBL4720748)	Inhibition of human EPHA6 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	243	ChEMBL_2065496 (CHEMBL4720749)	Inhibition of human EPHA7 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	244	ChEMBL_2065497 (CHEMBL4720750)	Inhibition of human EPHA4 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	245	ChEMBL_2065498 (CHEMBL4720751)	Inhibition of human EPHA5 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	246	ChEMBL_2065499 (CHEMBL4720752)	Inhibition of human EPHA3 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	247	ChEMBL_2065500 (CHEMBL4720753)	Inhibition of human EPHA1 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	248	ChEMBL_2065501 (CHEMBL4720754)	Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	249	ChEMBL_2065502 (CHEMBL4720755)	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	250	ChEMBL_2065503 (CHEMBL4720756)	Inhibition of human DYRK3 using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50012623	251	ChEMBL_2065504 (CHEMBL4720757)	Inhibition of human DYRK1B using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50012623	252	ChEMBL_2065505 (CHEMBL4720758)	Inhibition of human DYRK2 using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50012623	253	ChEMBL_2065506 (CHEMBL4720759)	Inhibition of human DYRK1A using RRRFRPASPLRGPPK as substrate by [gamma-33P]-ATP assay
50012623	254	ChEMBL_2065507 (CHEMBL4720760)	Inhibition of human DRAK1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	255	ChEMBL_2065508 (CHEMBL4720761)	Inhibition of human DMPK using KKRNRRLSVA as substrate by [gamma-33P]-ATP assay
50012623	256	ChEMBL_2065509 (CHEMBL4720762)	Inhibition of human DMPK2 using KKRPQRRYSNVF as substrate by [gamma-33P]-ATP assay
50012623	257	ChEMBL_2065510 (CHEMBL4720763)	Inhibition of human DLK using MBP as substrate by [gamma-33P]-ATP assay
50012623	258	ChEMBL_2065511 (CHEMBL4720764)	Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50012623	259	ChEMBL_2065512 (CHEMBL4720765)	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50012623	260	ChEMBL_2065513 (CHEMBL4720766)	Inhibition of human DCAMKL1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	261	ChEMBL_2065514 (CHEMBL4720767)	Inhibition of human DCAMKL2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	262	ChEMBL_2065515 (CHEMBL4720768)	Inhibition of human DAPK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	263	ChEMBL_2065516 (CHEMBL4720769)	Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	264	ChEMBL_2065517 (CHEMBL4720770)	Inhibition of human CTK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	265	ChEMBL_2065518 (CHEMBL4720771)	Inhibition of human CLK4 using MBP as substrate by [gamma-33P]-ATP assay
50012623	266	ChEMBL_2065519 (CHEMBL4720772)	Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	267	ChEMBL_2065520 (CHEMBL4720773)	Inhibition of human CLK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	268	ChEMBL_2065521 (CHEMBL4720774)	Inhibition of human CLK3 using MBP as substrate by [gamma-33P]-ATP assay
50012623	269	ChEMBL_2065522 (CHEMBL4720775)	Inhibition of human CLK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	270	ChEMBL_2065523 (CHEMBL4720776)	Inhibition of human CK2A2 using RRRDDDSDDD as substrate by [gamma-33P]-ATP assay
50012623	271	ChEMBL_2065524 (CHEMBL4720777)	Inhibition of human CK1gamma3 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	272	ChEMBL_2065525 (CHEMBL4720778)	Inhibition of human CK1gamma2 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	273	ChEMBL_2065526 (CHEMBL4720779)	Inhibition of human CK1gamma1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	274	ChEMBL_2065527 (CHEMBL4720780)	Inhibition of human CK1a1L using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	275	ChEMBL_2065528 (CHEMBL4720781)	Inhibition of human CK1a1 using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50012623	276	ChEMBL_2065529 (CHEMBL4720782)	Inhibition of human CHK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	277	ChEMBL_2065530 (CHEMBL4720783)	Inhibition of human CHK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	278	ChEMBL_2065531 (CHEMBL4720784)	Inhibition of human CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50012623	279	ChEMBL_2065532 (CHEMBL4720785)	Inhibition of human CDK7/cyclin-H using MBP as substrate by [gamma-33P]-ATP assay
50012623	280	ChEMBL_2065533 (CHEMBL4720786)	Inhibition of human CDK9/cyclin-K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50012623	281	ChEMBL_2065534 (CHEMBL4720787)	Inhibition of human CDK6/cyclin-D3 using RB protein as substrate by [gamma-33P]-ATP assay
50012623	282	ChEMBL_2065535 (CHEMBL4720788)	Inhibition of human CDK6/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay
50012623	283	ChEMBL_2065536 (CHEMBL4720789)	Inhibition of human CDK5/p35 using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	284	ChEMBL_2065537 (CHEMBL4720790)	Inhibition of human CDK5/p25 using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	285	ChEMBL_2065538 (CHEMBL4720791)	Inhibition of human CDK4/cyclin-D3 using RB-CTF as substrate by [gamma-33P]-ATP assay
50012623	286	ChEMBL_2065539 (CHEMBL4720792)	Inhibition of human CDK4/cyclin-D1 using RB protein as substrate by [gamma-33P]-ATP assay
50012623	287	ChEMBL_2065540 (CHEMBL4720793)	Inhibition of human CDK2/cyclin-O using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	288	ChEMBL_2065541 (CHEMBL4720794)	Inhibition of human CDK3/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	289	ChEMBL_2065542 (CHEMBL4720795)	Inhibition of human CDK2/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	290	ChEMBL_2065543 (CHEMBL4720796)	Inhibition of human CDK2/cyclin-A1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50012623	291	ChEMBL_2065544 (CHEMBL4720797)	Inhibition of human CDK2/cyclin-A using histone H1 as substrate by [gamma-33P]-ATP assay
50012623	292	ChEMBL_2065545 (CHEMBL4720798)	Inhibition of human CDK18/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50012623	293	ChEMBL_2065546 (CHEMBL4720799)	Inhibition of human CDK17/cyclin-Y using MBP protein as substrate by [gamma-33P]-ATP assay
50012623	294	ChEMBL_2065547 (CHEMBL4720800)	Inhibition of human CDK16/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50012623	295	ChEMBL_2065548 (CHEMBL4720801)	Inhibition of human CDK14/cyclin-Y using RB protein as substrate by [gamma-33P]-ATP assay
50012623	296	ChEMBL_2065549 (CHEMBL4720802)	Inhibition of human CDK1/cyclinE using RB protein as substrate by [gamma-33P]-ATP assay
50012623	297	ChEMBL_2065550 (CHEMBL4720803)	Inhibition of human CDK1/cyclinB using Histone H1 as substrate by [gamma-33P]-ATP assay
50012623	298	ChEMBL_2065551 (CHEMBL4720804)	Inhibition of human CDK1/Cyclin-A using Histone H1 as substrate by [gamma-33P]-ATP assay
50012623	299	ChEMBL_2065552 (CHEMBL4720805)	Inhibition of human CDC7/DBF4 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay
50012623	300	ChEMBL_2065553 (CHEMBL4720806)	Inhibition of human CAMKK2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	301	ChEMBL_2065554 (CHEMBL4720807)	Inhibition of human CAMKK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	302	ChEMBL_2065555 (CHEMBL4720808)	Inhibition of human CAMK4 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	303	ChEMBL_2065556 (CHEMBL4720809)	Inhibition of human CAMK2G using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	304	ChEMBL_2065557 (CHEMBL4720810)	Inhibition of human CAMK2D using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	305	ChEMBL_2065558 (CHEMBL4720811)	Inhibition of human CAMK2B using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	306	ChEMBL_2065559 (CHEMBL4720812)	Inhibition of human CAMK2A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	307	ChEMBL_2065560 (CHEMBL4720813)	Inhibition of human CAMK1G using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	308	ChEMBL_2065561 (CHEMBL4720814)	Inhibition of human CAMK1D using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	309	ChEMBL_2065562 (CHEMBL4720815)	Inhibition of human CAMK1B using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	310	ChEMBL_2065563 (CHEMBL4720816)	Inhibition of human CAMK1A using KKALRRQETVDAL as substrate by [gamma-33P]-ATP assay
50012623	311	ChEMBL_2065564 (CHEMBL4720817)	Inhibition of human c-MET using KKKSPGEYVNIEFG as substrate by [gamma-33P]-ATP assay
50012623	312	ChEMBL_2065565 (CHEMBL4720818)	Inhibition of human c-SRC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	313	ChEMBL_2065566 (CHEMBL4720819)	Inhibition of human c-MER using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	314	ChEMBL_2065567 (CHEMBL4720820)	Inhibition of human c-KIT using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	315	ChEMBL_2065568 (CHEMBL4720821)	Inhibition of human BRSK2 using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay
50012623	316	ChEMBL_2065569 (CHEMBL4720822)	Inhibition of human BTK using KVEKIGEGTYGVVYK as substrate by [gamma-33P]-ATP assay
50012623	317	ChEMBL_2065570 (CHEMBL4720823)	Inhibition of human BRSK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	318	ChEMBL_2065571 (CHEMBL4720824)	Inhibition of human BRK using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50012623	319	ChEMBL_2065572 (CHEMBL4720825)	Inhibition of human BMX using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50012623	320	ChEMBL_2065573 (CHEMBL4720826)	Inhibition of human BMPR2 using MBP as substrate by [gamma-33P]-ATP assay
50012623	321	ChEMBL_2065574 (CHEMBL4720827)	Inhibition of human BLK using poly[Glu:Tyr](4:1) as substrate by [gamma-33P]-ATP assay
50012623	322	ChEMBL_2065575 (CHEMBL4720828)	Inhibition of human AXL using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	323	ChEMBL_2065576 (CHEMBL4720829)	Inhibition of human Aurora C using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50012623	324	ChEMBL_2065577 (CHEMBL4720830)	Inhibition of human Aurora A using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50012623	325	ChEMBL_2065578 (CHEMBL4720831)	Inhibition of human Aurora B using [H-LRRASLG] as substrate by [gamma-33P]-ATP assay
50012623	326	ChEMBL_2065579 (CHEMBL4720832)	Inhibition of human ASK1 using MBP as substrate by [gamma-33P]-ATP assay
50012623	327	ChEMBL_2065580 (CHEMBL4720833)	Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay
50012623	328	ChEMBL_2065581 (CHEMBL4720834)	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012623	329	ChEMBL_2065582 (CHEMBL4720835)	Inhibition of human AKT3 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	330	ChEMBL_2065583 (CHEMBL4720836)	Inhibition of human AKT2 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	331	ChEMBL_2065584 (CHEMBL4720837)	Inhibition of human AKT1 using KGSGSGRPRTSSFAEG as substrate by [gamma-33P]-ATP assay
50012623	332	ChEMBL_2065585 (CHEMBL4720838)	Inhibition of human ACK1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	333	ChEMBL_2065586 (CHEMBL4720839)	Inhibition of human ABL2 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	334	ChEMBL_2065587 (CHEMBL4720840)	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate by [gamma-33P]-ATP assay
50012623	335	ChEMBL_2065905 (CHEMBL4721158)	Inhibition of human CYP2C9 using diclofenac as substrate
50012623	336	ChEMBL_2065906 (CHEMBL4721159)	Inhibition of human CYP2C19 using omeprazole as substrate
50012623	337	ChEMBL_2065907 (CHEMBL4721160)	Inhibition of human CYP3A4 using midazolam as substrate
50012623	338	ChEMBL_2065908 (CHEMBL4721161)	Inhibition of human CYP2D6 using dextromethorphan as substrate
50012623	339	ChEMBL_2065909 (CHEMBL4721162)	Inhibition of human CYP1A2 using phenacetin as substrate
50012623	340	ChEMBL_2065920 (CHEMBL4721173)	Inhibition of recombinant human N-terminal GST tagged EGFR L858R/T790M double mutant (669 to 1210 residues) expressed in insect expression system using peptide as substrate incubated for 2 hrs followed by substrate addition and measured after 30 mins by TR-FRET assay
50012623	341	ChEMBL_2065922 (CHEMBL4721175)	Inhibition of recombinant human N-terminal GST tagged EGFR L858R mutant (669 to 1210 residues) expressed in insect expression system using peptide as substrate incubated for 2 hrs followed by substrate addition and measured after 30 mins by TR-FRET assay
50012623	342	ChEMBL_2065927 (CHEMBL4721180)	Inhibition of recombinant human N-terminal GST tagged EGFR (669 to 1210 residues) expressed in insect expression system using peptide as substrate incubated for 2 hrs followed by substrate addition and measured after 30 mins by TR-FRET assay
50012625	1	ChEMBL_2065940 (CHEMBL4721193)	Binding affinity to human Bcl2A1 incubated for 2 hrs by FBid based competitive FP assay
50012625	2	ChEMBL_2065941 (CHEMBL4721194)	Binding affinity to human Mcl1 incubated for 2 hrs by FBid based competitive FP assay
50012625	3	ChEMBL_2065945 (CHEMBL4721198)	Covalent binding affinity to human Bcl2A1 by FBid based FP assay
50012626	1	ChEMBL_2065990 (CHEMBL4721243)	Inhibition of recombinant His6-Tev-LRRK2 (1326 to 2527 residues) (unknown origin) using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs in presence of ATP by TR-FRET assay
50012626	2	ChEMBL_2065991 (CHEMBL4721244)	Inhibition of recombinant full-length LRRK2 (unknown origin) expressed in SH-SY5Y cells assessed as reduction in Ser935 phosphorylation after 60 mins by Alpha Screen assay
50012626	3	ChEMBL_2066006 (CHEMBL4721259)	Inhibition of LRRK2 in human AHE cells assessed as reduction in Ser935 phosphorylation
50012626	4	ChEMBL_2066007 (CHEMBL4721260)	Inhibition of LRRK2 G2019S mutant in human ANK cells assessed as reduction in Ser935 phosphorylation
50012626	5	ChEMBL_2066013 (CHEMBL4721266)	Inhibition of human CYP3A4
50012626	6	ChEMBL_2066014 (CHEMBL4721267)	Inhibition of human PXR
50012626	7	ChEMBL_2066015 (CHEMBL4721268)	Inhibition of human OATP1B1
50012626	8	ChEMBL_2066016 (CHEMBL4721269)	Inhibition of human ERG
50012628	1	ChEMBL_2066468 (CHEMBL4721721)	Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	2	ChEMBL_2066469 (CHEMBL4721722)	Inhibition of human liver microsome CYP2B6 using bupropion as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	3	ChEMBL_2066470 (CHEMBL4721723)	Inhibition of human liver microsome CYP2C8 using paclitaxel as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	4	ChEMBL_2066471 (CHEMBL4721724)	Inhibition of human liver microsome CYP2C9 using diclofenac as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	5	ChEMBL_2066472 (CHEMBL4721725)	Inhibition of human liver microsome CYP2C19 using mephenytoin as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	6	ChEMBL_2066473 (CHEMBL4721726)	Inhibition of human liver microsome CYP2D6 using bufuralol as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	7	ChEMBL_2066474 (CHEMBL4721727)	Inhibition of human liver microsome CYP3A4 using testosterone as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	8	ChEMBL_2066475 (CHEMBL4721728)	Inhibition of human liver microsome CYP3A4 using midazolam as substrate incubated for 20 mins by LC-MS/MS analysis
50012628	9	ChEMBL_2066476 (CHEMBL4721729)	Inhibition of human ERG transfected in HEK293 cells assessed as reduction in channel current at -80 mV holding potential by whole-cell patch clamp method
50012631	1	ChEMBL_2066519 (CHEMBL4721772)	Binding affinity to MAPK14 (unknown origin)
50012631	2	ChEMBL_2066520 (CHEMBL4721773)	Binding affinity to PRKACA (unknown origin)
50012631	3	ChEMBL_2066521 (CHEMBL4721774)	Binding affinity to human JAK2 using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	4	ChEMBL_2066522 (CHEMBL4721775)	Binding affinity to human CSK using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	5	ChEMBL_2066523 (CHEMBL4721776)	Binding affinity to human LCK using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	6	ChEMBL_2066524 (CHEMBL4721777)	Binding affinity to human SRC using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	7	ChEMBL_2066525 (CHEMBL4721778)	Binding affinity to human HCK using KVEKIGEGTYGVVYK as substrate by radiometric hotspot kinase assay
50012631	8	ChEMBL_2066526 (CHEMBL4721779)	Binding affinity to human YES using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	9	ChEMBL_2066527 (CHEMBL4721780)	Binding affinity to LYN (unknown origin)
50012631	10	ChEMBL_2066528 (CHEMBL4721781)	Binding affinity to human FRK using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	11	ChEMBL_2066529 (CHEMBL4721782)	Binding affinity to human JAK1 using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	12	ChEMBL_2066530 (CHEMBL4721783)	Binding affinity to human FYN using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	13	ChEMBL_2066531 (CHEMBL4721784)	Binding affinity to LTK (unknown origin)
50012631	14	ChEMBL_2066532 (CHEMBL4721785)	Binding affinity to human ABL1 using EAIYAAPFAKKK as substrate by radiometric hotspot kinase assay
50012631	15	ChEMBL_2066533 (CHEMBL4721786)	Binding affinity to human IGF1R using KKKSPGEYVNIEFG as substrate by radiometric hotspot kinase assay
50012631	16	ChEMBL_2066534 (CHEMBL4721787)	Binding affinity to DDR1 (unknown origin) at 5 uM
50012631	17	ChEMBL_2066535 (CHEMBL4721788)	Binding affinity to FLT1 (unknown origin)
50012631	18	ChEMBL_2066536 (CHEMBL4721789)	Binding affinity to human FGFR1 using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	19	ChEMBL_2066537 (CHEMBL4721790)	Binding affinity to human EPHA1 using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012631	20	ChEMBL_2066538 (CHEMBL4721791)	Binding affinity to human PDGFRalpha using poly[Glu:Tyr] (4:1) as substrate by radiometric hotspot kinase assay
50012632	1	ChEMBL_2066552 (CHEMBL4721805)	Covalent binding affinity to RTN4 at Cys1101 residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide YSNSALGHVNCTIK incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012632	2	ChEMBL_2066553 (CHEMBL4721806)	Covalent binding affinity to CRYZ at Cys45 residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide VHACGVNPVETYIR incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012632	3	ChEMBL_2066554 (CHEMBL4721807)	Covalent binding affinity to HMOX2 at Cys282 residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide GALEGSSCPFR incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012632	4	ChEMBL_2066555 (CHEMBL4721808)	Covalent binding affinity to VAT1 at Cys residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide ACGLNFADLMAR incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012632	5	ChEMBL_2066556 (CHEMBL4721809)	Covalent binding affinity to KRAS G12C mutant at Cys12 residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide LVVVGACGVGK incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012632	6	ChEMBL_2066557 (CHEMBL4721810)	Covalent binding affinity to KRAS G12C mutant at Cys12 residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide LVVVGACGVGK incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by ABPP target occupancy based UHPLC Q-SIM MS analysis
50012632	7	ChEMBL_2066564 (CHEMBL4721817)	Covalent inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as loss of C12 tryptic peptide of KRAS G12C mutant measured after 6 hrs by LC-MS/MS analysis
50012632	8	ChEMBL_2066566 (CHEMBL4721819)	Covalent binding affinity to VAT1 at Cys residue in human NCI-H358 cells assessed as reduction of log2 H/L ratio for tryptic peptide CLVLTGFGGYDK incubated for 4 hrs followed by cell lysis and subsequently labelled with light thiol probe N-((S)-18-iodo-11-isopropyl-10,13,17-trioxo-3,6-dioxa-9,12,16-triazaoctadecyl)-6-((4R,5S)-5-methyl-2-oxoimidazolidin-4-yl)hexanamide and heavy thiol probe 4 for 1 hr under dark conditions followed by tryptic digestion for overnight and measured by discovery ABPP based nano LC-MS/MS analysis
50012633	1	ChEMBL_2066567 (CHEMBL4721820)	Agonist activity at recombinant human PPARalpha LBD (168 to 468 residues) expressed in African green monkey COS-1 cells incubated for 18 hrs by luciferase reporter gene assay
50012633	2	ChEMBL_2066568 (CHEMBL4721821)	Agonist activity at recombinant human PPARgamma LBD (205 to 505 residues) expressed in African green monkey COS-1 cells incubated for 18 hrs by luciferase reporter gene assay
50012634	1	ChEMBL_2066641 (CHEMBL4721894)	Modulator activity at GAL4-fused human PPARdelta LBD (128 to residue at C-terminus) transfected in African green monkey CV1 cells assessed as receptor transactivation by luciferase reporter gene assay
50012634	2	ChEMBL_2066642 (CHEMBL4721895)	Modulator activity at GAL4-fused human PPARalpha LBD (unknown origin) transfected in African green monkey CV1 cells assessed as receptor transactivation by luciferase reporter gene assay
50012634	3	ChEMBL_2066645 (CHEMBL4721898)	Modulator activity at GAL4-fused human PPARgamma LBD (unknown origin) transfected in African green monkey CV1 cells assessed as receptor transactivation by luciferase reporter gene assay
50012634	4	ChEMBL_2066652 (CHEMBL4721905)	Modulator activity at mouse PPARdelta
50012634	5	ChEMBL_2066684 (CHEMBL4721937)	Modulation of androgen receptor (unknown origin)
50012634	6	ChEMBL_2066685 (CHEMBL4721938)	Modulation of progesterone receptor (unknown origin)
50012634	7	ChEMBL_2066686 (CHEMBL4721939)	Modulation of glucocorticoid receptor (unknown origin)
50012636	1	ChEMBL_2067087 (CHEMBL4722340)	Antagonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated for 20 mins followed by ATP addition measured at 0.4 secs interval for 60 times by Oregon Green BAPTA-1/AM dye-based fluorescence assay
50012636	2	ChEMBL_2067089 (CHEMBL4722342)	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of ATP-induced intracellular calcium influx preincubated for 20 mins followed by ATP addition measured at 0.4 secs interval for 60 times by Oregon Green BAPTA-1/AM dye-based fluorescence assay
50012636	3	ChEMBL_2067094 (CHEMBL4722347)	Antagonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium influx preincubated for 20 mins followed by UDP addition measured at 0.4 secs interval for 60 times by Oregon Green BAPTA-1/AM dye-based fluorescence assay
50012637	1	ChEMBL_2067169 (CHEMBL4722422)	Inhibition of sheep COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by UV-visible spectrophotometric method
50012637	2	ChEMBL_2067170 (CHEMBL4722423)	Inhibition of recombinant human COX2 expressed in baculovirus infected Sf21 cells using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by UV-visible spectrophotometric method
50012637	3	ChEMBL_2067172 (CHEMBL4722425)	Inhibition of recombinant human 5LOX expressed in baculovirus infected Sf insect cells using linoleic acid as substrate preincubated for 5 mins followed by substrate addition
50012641	1	ChEMBL_2067272 (CHEMBL4722525)	Inhibition of human MetAP1 expressed in Escherichia coli BL21 (DE3) using L-methionine-4-methyl-coumary1-7-amide as substrate preincubated for 30 mins followed by substrate addition and measured at 1 min interval for 30 mins by spectrofluorometric method
50012641	2	ChEMBL_2067278 (CHEMBL4722531)	Binding affinity to human MetAP1 expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50012642	1	ChEMBL_2067368 (CHEMBL4722621)	Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid as substrate preincubated for 15 mins followed by substrate addition and measured for 10 mins in presence of 0.5 mM EDTA by UV absorbance analysis
50012642	2	ChEMBL_2067369 (CHEMBL4722622)	Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid as substrate preincubated for 15 mins followed by substrate addition and measured for 10 mins in presence of 0.5 mM EDTA by UV absorbance based Cheng-Prusoff equation analysis
50012642	3	ChEMBL_2067370 (CHEMBL4722623)	Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid as substrate preincubated for 15 mins followed by substrate addition and measured for 10 mins in absence of EDTA by UV absorbance based Cheng-Prusoff equation analysis
50012642	4	ChEMBL_2067376 (CHEMBL4722629)	Binding affinity to RED-Tris-NTA-labelled C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 by microscale thermophoresis assay
50012642	5	ChEMBL_2067380 (CHEMBL4722633)	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate preincubated for 30 mins followed by substrate addition and measured for 175 secs
50012644	1	ChEMBL_2067396 (CHEMBL4722649)	Positive allosteric modulation of human mGlu2 receptor stably expressed in human Chem-1 cells assessed as potentiation of glutamate-induced intracellular calcium level preincubated for 30 mins followed by glutamate addition by fluorescence assay
50012644	2	ChEMBL_2067401 (CHEMBL4722654)	Inhibition of CYP1A2 (unknown origin)
50012644	3	ChEMBL_2067402 (CHEMBL4722655)	Inhibition of CYP2C9 (unknown origin)
50012644	4	ChEMBL_2067403 (CHEMBL4722656)	Inhibition of CYP2C19 (unknown origin)
50012644	5	ChEMBL_2067404 (CHEMBL4722657)	Inhibition of CYP2D6 (unknown origin)
50012644	6	ChEMBL_2067405 (CHEMBL4722658)	Inhibition of CYP3A4 (unknown origin)
50012645	1	ChEMBL_2067411 (CHEMBL4722664)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012645	2	ChEMBL_2067412 (CHEMBL4722665)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012645	3	ChEMBL_2067413 (CHEMBL4722666)	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012645	4	ChEMBL_2067414 (CHEMBL4722667)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012646	1	ChEMBL_2067435 (CHEMBL4722688)	Displacement of FAM-labeled 5-GpYLPQTV-NH2 from recombinant GST-tagged STAT3 (unknown origin) preincubated for 30 mins followed by FAM-labeled 5-GpYLPQTV-NH2 addition and measured after 30 mins by fluorescence assay
50012646	2	ChEMBL_2067502 (CHEMBL4722755)	Inhibition of STAT3 in human SB-590885-sensitive 451Lu cells assessed as reduction in STAT3 transcriptional activity measured after 12 hrs by Dual-luciferase reporter gene assay
50012646	3	ChEMBL_2067503 (CHEMBL4722756)	Inhibition of STAT3 in human SB-590885-resistant 451Lu cells assessed as reduction in STAT3 transcriptional activity measured after 12 hrs by Dual-luciferase reporter gene assay
50012646	4	ChEMBL_2067504 (CHEMBL4722757)	Inhibition of STAT3 in human SB-590885-sensitive MEL1617 cells assessed as reduction in STAT3 transcriptional activity measured after 12 hrs by Dual-luciferase reporter gene assay
50012646	5	ChEMBL_2067505 (CHEMBL4722758)	Inhibition of STAT3 in human SB-590885-resistant MEL1617 cells assessed as reduction in STAT3 transcriptional activity measured after 12 hrs by Dual-luciferase reporter gene assay
50012647	1	ChEMBL_2067515 (CHEMBL4722768)	Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50012648	1	ChEMBL_2067565 (CHEMBL4722818)	Displacement of [3H]R-PIA from recombinant human A1AR expressed in CHO cell membranes
50012648	2	ChEMBL_2067566 (CHEMBL4722819)	Displacement of [3H]CGS21680 from recombinant human A2AAR expressed in HEK293 cell membranes
50012648	3	ChEMBL_2067567 (CHEMBL4722820)	Displacement of [125I]AB-MEC from recombinant human A3R expressed in CHO cell membranes
50012650	1	ChEMBL_2067577 (CHEMBL4722830)	Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay
50012651	1	ChEMBL_2067630 (CHEMBL4722883)	Inhibition of Aspergillus fumigatus chiA1 (Ser29 to Leu335) expressed in Pichia pastoris using 4MU-NAG3 as substrate by fluorescence method
50012651	2	ChEMBL_2067737 (CHEMBL4722990)	Inhibition of human chitinase1 incubated for 70 mins using 4MU-NAG2 as substrate by fluorescence method
50012651	3	ChEMBL_2067739 (CHEMBL4722992)	Inhibition of Aspergillus fumigatus chiA1 (Arg28 to His337) expressed in Pichia pastoris incubated for 70 mins using 4MU-NAc3 as substrate by fluorescence method
50012651	4	ChEMBL_2067741 (CHEMBL4722994)	Inhibition of Aspergillus fumigatus chitinase B1 expressed in Escherichia coli using 4MU-GlcNAc2 as substrate by fluorescence method
50012651	5	ChEMBL_2067742 (CHEMBL4722995)	Inhibition of Chitin synthase 2 in Candida albicans (chs3del::hisG/chs3del::hisG) microsomes using UDP-[U14C]-GlcNac as substrate
50012651	6	ChEMBL_2067743 (CHEMBL4722996)	Inhibition of Chitin synthase 1 in Candida albicans (chs3del::hisG/chs3del::hisG) microsomes using UDP-[U14C]-GlcNac as substrate
50012651	7	ChEMBL_2067773 (CHEMBL4723026)	Inhibition of Candida albicans chitin synthase 1
50012651	8	ChEMBL_2067779 (CHEMBL4723032)	Inhibition of Candida albicans chitin synthase 1 expressed in Saccharomyces cerevisiae RRA400-1U cells using [3H]UDP-GlcNAc as substrate by scintillation counting method
50012652	1	ChEMBL_2067837 (CHEMBL4723090)	Allosteric inhibition of MAT2A (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as reduction in S-adenosyl-methionine formation using methionine as substrate in presence of ATP by ELISA
50012653	1	ChEMBL_2067838 (CHEMBL4723091)	Inhibition of PI3K-delta (unknown origin)
50012654	1	ChEMBL_2067840 (CHEMBL4723093)	Inhibition of human His-tagged tyrosinase expressed in HEK 293 cells using L-DOPA as substrate by Lineweaver-Burk plot analysis
50012654	2	ChEMBL_2067841 (CHEMBL4723094)	Inhibition of tyrosinase in human neonatal foreskin epidermal melanocyte cells using L-tyrosine and L-DOPA as substrate preincubated for 2 days followed by cell lysis and subsequent substrate addition and measured after 3 hr by spectrophotometric method
50012654	3	ChEMBL_2067842 (CHEMBL4723095)	Inhibition of tyrosinase in neonatal human epidermal melanocytes
50012654	4	ChEMBL_2067843 (CHEMBL4723096)	Inhibition of tyrosinase in human neonatal foreskin epidermal melanocyte cells using L-DOPA as substrate preincubated for 24 hrs followed by cell lysis and subsequent substrate addition and measured after 1 hr by ELISA
50012654	5	ChEMBL_2067844 (CHEMBL4723097)	Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine as substrate and DOPA as cofactor by indirect spectrophotometric method
50012654	6	ChEMBL_2067845 (CHEMBL4723098)	Mixed inhibition of recombinant human tyrosinase expressed in baculovirus infected sf9 cells using L-DOPA as substrate by double-reciprocal plot analysis
50012654	7	ChEMBL_2067848 (CHEMBL4723101)	Inhibition of human His-tagged tyrosinase expressed in HEK 293 cells using L-DOPA as substrate by MBTH based assay
50012654	8	ChEMBL_2067854 (CHEMBL4723107)	Inhibition of tyrosinase in human HBL cell extract using L-DOPA as substrate measured every 10 mins for 1 hr by MBTH based spectrophotometric method
50012654	9	ChEMBL_2067855 (CHEMBL4723108)	Inhibition of tyrosinase in human melanocytes using L-[3,5-3H]-tyrosine as substrate incubated for 1 to 3 days by liquid scintillation counting method
50012654	10	ChEMBL_2067856 (CHEMBL4723109)	Inhibition of human HMV-II cell derived tyrosinase using DOPA as substrate incubated for 5 mins by light absorbance method
50012654	11	ChEMBL_2067857 (CHEMBL4723110)	Inhibition of tyrosinase in human melanocyte cells using L-DOPA as substrate by absorbance method
50012654	12	ChEMBL_2067858 (CHEMBL4723111)	Inhibition of human HMV-II cell derived tyrosinase using L-DOPA as substrate by light absorbance method
50012654	13	ChEMBL_2067859 (CHEMBL4723112)	Competitive inhibition of recombinant human tyrosinase expressed in baculovirus infected sf9 cells using L-DOPA as substrate by double-reciprocal plot analysis
50012654	14	ChEMBL_2067860 (CHEMBL4723113)	Uncompetitive inhibition of recombinant human tyrosinase expressed in baculovirus infected sf9 cells using L-DOPA as substrate by double-reciprocal plot analysis
50012654	15	ChEMBL_2067861 (CHEMBL4723114)	Inhibition of human tyrosinase using L- DOPA as substrate by MBTH based assay
50012654	16	ChEMBL_2067862 (CHEMBL4723115)	Inhibition of human tyrosinase expressed in human SKMEL188 cell lysate using L- DOPA as substrate incubated for 8 hrs
50012654	17	ChEMBL_2067863 (CHEMBL4723116)	Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine and DOPA as substrate
50012654	18	ChEMBL_2067864 (CHEMBL4723117)	Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine and DOPA as substrate by absorbance method
50012654	19	ChEMBL_2067865 (CHEMBL4723118)	Inhibition of human tyrosinase expressed in Escherichia coli
50012654	20	ChEMBL_2067866 (CHEMBL4723119)	Inhibition of human tyrosinase expressed in HEK293 cells
50012655	1	ChEMBL_2067903 (CHEMBL4723156)	Inhibition of human TMPRSS2-mediated SARS-CoV-2 entry into human Caco-2 cells
50012656	1	ChEMBL_2067975 (CHEMBL4723228)	Inhibition of human ERG channel in presence of dofetilide by competition binding assay
50012656	2	ChEMBL_2068007 (CHEMBL4723260)	Displacement of reporter probe from human recombinant FGFR4 (391 to 802) expressed in Baculovirus infected Sf9 cells measured after 30 mins by proteros reporter displacement assay
50012656	3	ChEMBL_2068010 (CHEMBL4723263)	Inhibition of MAPKAPK2 (unknown origin) by biochemical assay
50012656	4	ChEMBL_2068011 (CHEMBL4723264)	Inhibition of Aurora A (unknown origin) by biochemical assay
50012656	5	ChEMBL_2068014 (CHEMBL4723267)	Inhibition of rat FGFR4 kinase domain (388 to 802) using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	6	ChEMBL_2068015 (CHEMBL4723268)	Inhibition of FGFR4 kinase domain (388 to 802) (unknown origin) using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	7	ChEMBL_2068016 (CHEMBL4723269)	Inhibition of FGFR3 kinase domain (411 to 806) (unknown origin) using 5-FluoAhx-EEPLYWSFPAKKKCO-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	8	ChEMBL_2068017 (CHEMBL4723270)	Inhibition of FGFR2 kinase domain (406 to 821) (unknown origin) using 5-FluoAhx-EEPLYWSFPAKKKCO-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	9	ChEMBL_2068018 (CHEMBL4723271)	Inhibition of FGFR1 kinase domain (407 to 822) (unknown origin) using 5-FluoAhx-EEPLYWSFPAKKKCO-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	10	ChEMBL_2068038 (CHEMBL4723291)	Inhibition of FGFR4 C552A mutant (unknown origin)
50012656	11	ChEMBL_2068041 (CHEMBL4723294)	Inhibition of FGFR4 in mouse BAF3 cells assessed as reduction in cell viability incubated for 2 days by cell proliferation assay
50012656	12	ChEMBL_2068042 (CHEMBL4723295)	Inhibition of FGFR4 in mouse BAF3 cells assessed as decrease in FGFR4 phosphorylation incubated for 40 mins
50012656	13	ChEMBL_2068061 (CHEMBL4723314)	Inhibition of recombinant non-phosphorylated FGFR4 kinase domain (442 to 753) (unknown origin) expressed in Sf9 insect cells using 5-Fluo-Ahx-KKKKEEIYFFFG-NH2 peptide as substrate in presence of ATP measured after 60 mins by caliper microfluidic mobility shift assay
50012656	14	ChEMBL_2068107 (CHEMBL4723360)	Inhibition of wild-type FGFR4 (unknown origin) assessed as ratio of Kinact to Ki
50012656	15	ChEMBL_2068108 (CHEMBL4723361)	Inhibition of wild-type FGFR4 C477A mutant (unknown origin) assessed as ratio of Kinact to Ki
50012657	1	ChEMBL_2068141 (CHEMBL4723394)	Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using L-DHO as substrate measured every 10 mins for 90 mins in presence of decylubiquinone by DCIP based colorimetric assay
50012658	1	ChEMBL_2068212 (CHEMBL4723465)	Inhibition of spike protein in SARS-CoV infected in human HeLa cells haboring wild type ACE2 assessed as reduction in virus infectivity preincubated with virus for 20 mins followed by cell infection for 20 mins and subsequent replacement of medium and measured after 1.5 days by X-Gal staining based inverted microscopic method
50012658	2	ChEMBL_2068239 (CHEMBL4723492)	Inhibition of human guanine-N7 methyltransferase expressed in Saccharomyces cerevisiae YBS40 (MATa leu2 ade2 trp1 his3 ura3 can1 abd1::hisGp360-ABD1)
50012658	3	ChEMBL_2068243 (CHEMBL4723496)	Inhibition of N-terminus hexa-histidine tagged-human guanine-N7 methyltransferase expressed in Escherichia coli using GpppAC4 RNA as substrate incubated for 30 mins by liquid scintillation counting method
50012659	1	ChEMBL_2068251 (CHEMBL4723504)	Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluorescence microplate reader assay
50012661	1	ChEMBL_2068263 (CHEMBL4723516)	Binding affinity to sigma-1 receptor (unknown origin)
50012661	2	ChEMBL_2068264 (CHEMBL4723517)	Antagonist activity at dopamine D2 receptor (unknown origin)
50012661	3	ChEMBL_2068265 (CHEMBL4723518)	Binding affinity to sigma-2 receptor (unknown origin)
50012661	4	ChEMBL_2068266 (CHEMBL4723519)	Inhibition of [3H](+)-pentazocine binding to human sigma1 receptor expressed in HEK293 cells by liquid scintillation spectrometry
50012661	5	ChEMBL_2068267 (CHEMBL4723520)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes by scintillation counting method
50012661	6	ChEMBL_2068270 (CHEMBL4723523)	Inhibition of (+)-pentazocine binding to human sigma 1 receptor expressed in human Jurkat cell membranes
50012661	7	ChEMBL_2068271 (CHEMBL4723524)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method
50012661	8	ChEMBL_2068272 (CHEMBL4723525)	Displacement of [3H]DTG from sigma2 receptor in rat liver membranes incubated for 120 mins by solid scintillation counting method
50012661	9	ChEMBL_2068278 (CHEMBL4723531)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin-Hartley guinea pig brain membranes incubated for 180 mins by liquid scintillation counting method
50012661	10	ChEMBL_2068281 (CHEMBL4723534)	Displacement of [3H]-methylhistamine from Histamine H3 receptor in rat cerebral cortex incubated for 30 min by liquid scintillation counting method
50012661	11	ChEMBL_2068282 (CHEMBL4723535)	Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting method
50012661	12	ChEMBL_2068283 (CHEMBL4723536)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membranes incubated for 120 mins by scintillation counting method
50012661	13	ChEMBL_2068284 (CHEMBL4723537)	Displacement of [3H]DTG from sigma2 receptor in Wistar Hannover rat liver membranes incubated for 120 mins by solid scintillation counting method
50012661	14	ChEMBL_2068286 (CHEMBL4723539)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes incubated for 120 mins by solid scintillation counting method
50012661	15	ChEMBL_2068287 (CHEMBL4723540)	Binding affinity to alpha 2A adrenoceptor (unknown origin)
50012661	16	ChEMBL_2068288 (CHEMBL4723541)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in rat liver membranes incubated for 60 mins in presence of [3H]DTG by radioactivity method
50012661	17	ChEMBL_2068289 (CHEMBL4723542)	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes incubated for 60 mins in presence of [3H]-(+)-pentazocine by radioactivity method
50012661	18	ChEMBL_2068290 (CHEMBL4723543)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain homogenate incubated for 150 mins by liquid scintillation counting method
50012661	19	ChEMBL_2068291 (CHEMBL4723544)	Displacement of [3H]DTG from sigma 2 receptor in rat PC12 cells incubated for 120 mins in presence of [3H]-(+)-pentazocine by liquid scintillation counting method
50012661	20	ChEMBL_2068293 (CHEMBL4723546)	Displacement of [3H]WIN35428 from dopamine transporter (unknown origin) by liquid scintillation counting method
50012661	21	ChEMBL_2068294 (CHEMBL4723547)	Displacement of [3H]nisoxetine from norepinephrine transporter (unknown origin) by liquid scintillation counting method
50012661	22	ChEMBL_2068295 (CHEMBL4723548)	Displacement of [3H]citalopram from serotonin transporter (unknown origin) by liquid scintillation counting method
50012661	23	ChEMBL_2068296 (CHEMBL4723549)	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting method
50012661	24	ChEMBL_2068297 (CHEMBL4723550)	Inhibition of [3H]DTG binding to sigma 1 receptor (unknown origin)
50012661	25	ChEMBL_2068298 (CHEMBL4723551)	Inhibition of radioligand binding to sigma1 receptor in C57BL/6 mouse brain membranes
50012661	26	ChEMBL_2068299 (CHEMBL4723552)	Inhibition of radioligand binding to sigma2 receptor in C57BL/6 mouse brain membranes
50012661	27	ChEMBL_2068300 (CHEMBL4723553)	Binding affinity to dopamine D2 (low) receptor (unknown origin)
50012661	28	ChEMBL_2068301 (CHEMBL4723554)	Binding affinity to dopamine D2 (high) receptor (unknown origin)
50012661	29	ChEMBL_2068302 (CHEMBL4723555)	Binding affinity to muscarinic acetylcholine receptor M1 (unknown origin)
50012661	30	ChEMBL_2068303 (CHEMBL4723556)	Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)
50012661	31	ChEMBL_2068304 (CHEMBL4723557)	Binding affinity to muscarinic acetylcholine receptor M3 (unknown origin)
50012661	32	ChEMBL_2068305 (CHEMBL4723558)	Binding affinity to muscarinic acetylcholine receptor M4 (unknown origin)
50012661	33	ChEMBL_2068306 (CHEMBL4723559)	Binding affinity to mu opioid receptor (unknown origin)
50012661	34	ChEMBL_2068307 (CHEMBL4723560)	Binding affinity to kappa opioid receptor (unknown origin)
50012661	35	ChEMBL_2068308 (CHEMBL4723561)	Inhibition of acetylcholinesterase (unknown origin)
50012661	36	ChEMBL_2068309 (CHEMBL4723562)	Inhibition of SERT (unknown origin)
50012661	37	ChEMBL_2068310 (CHEMBL4723563)	Inhibition of MAO-A (unknown origin)
50012662	1	ChEMBL_2068313 (CHEMBL4723566)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system measured after 60 mins by LanthaScreen TR-FRET assay relative to control
50012662	2	ChEMBL_2068314 (CHEMBL4723567)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured after 60 mins by TR-FRET based LanthaScreen Eu kinase binding assay
50012662	3	ChEMBL_2068316 (CHEMBL4723569)	Binding affinity to wild-type human partial length MTOR (L1382 to W2549 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	4	ChEMBL_2068317 (CHEMBL4723570)	Binding affinity to wild-type human partial length PIK3CA (R108 to N1068 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	5	ChEMBL_2068318 (CHEMBL4723571)	Binding affinity to wild-type human partial length PIK3CB (P118 to S1070 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	6	ChEMBL_2068319 (CHEMBL4723572)	Binding affinity to wild-type human partial length PIK3CD (R108 to Q1044 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	7	ChEMBL_2068320 (CHEMBL4723573)	Binding affinity to wild-type human partial length PIK3CG (S144 to A1102 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	8	ChEMBL_2068321 (CHEMBL4723574)	Binding affinity to wild-type human full length PIK4CB (M1 to M828 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012662	9	ChEMBL_2068322 (CHEMBL4723575)	Binding affinity to wild-type human partial length VPS34 (S282 to H879 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method
50012663	1	ChEMBL_2068401 (CHEMBL4723654)	Inhibition of CYP3A4 (unknown origin)
50012663	2	ChEMBL_2068402 (CHEMBL4723655)	Inhibition of CYP1A2 (unknown origin)
50012663	3	ChEMBL_2068403 (CHEMBL4723656)	Inhibition of CYP2C9 (unknown origin)
50012663	4	ChEMBL_2068404 (CHEMBL4723657)	Inhibition of CYP2C19 (unknown origin)
50012663	5	ChEMBL_2068405 (CHEMBL4723658)	Inhibition of CYP2D6 (unknown origin)
50012663	6	ChEMBL_2068410 (CHEMBL4723663)	Binding affinity to human XIAP-BIR3 (241 to 356 residues)
50012665	1	ChEMBL_2068435 (CHEMBL4723688)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50012665	2	ChEMBL_2068437 (CHEMBL4723690)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50012665	3	ChEMBL_2068438 (CHEMBL4723691)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50012665	4	ChEMBL_2068440 (CHEMBL4723693)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50012666	1	ChEMBL_2068498 (CHEMBL4723751)	Binding affinity to STK17A (unknown origin) by KINOMEscan scanMAX assay
50012666	2	ChEMBL_2068499 (CHEMBL4723752)	Binding affinity to N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli by KINOMEscan scanMAX assay
50012666	3	ChEMBL_2068504 (CHEMBL4723757)	Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by Kinase seeker split luciferase assay
50012666	4	ChEMBL_2068505 (CHEMBL4723758)	Binding affinity to C-terminal nano-luciferase tagged STK17B (unknown origin) expressed in HEK293 cells incubated for 2 hrs by nano-BRET assay based cellular target engagement assay
50012666	5	ChEMBL_2068508 (CHEMBL4723761)	Inhibition of STK17A (unknown origin) incubated for 90 mins by Kinase seeker split luciferase assay
50012666	6	ChEMBL_2068509 (CHEMBL4723762)	Binding affinity to human HIPK4 by KINOMEscan scanMAX assay
50012666	7	ChEMBL_2068520 (CHEMBL4723773)	Binding affinity to human MET assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	8	ChEMBL_2068521 (CHEMBL4723774)	Binding affinity to human NEK6 assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	9	ChEMBL_2068522 (CHEMBL4723775)	Binding affinity to human PIM2 assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	10	ChEMBL_2068523 (CHEMBL4723776)	Binding affinity to human WEE1 assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	11	ChEMBL_2068524 (CHEMBL4723777)	Binding affinity to human STK17B assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	12	ChEMBL_2068525 (CHEMBL4723778)	Binding affinity to human CAMKK2 assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	13	ChEMBL_2068526 (CHEMBL4723779)	Binding affinity to human AURKB assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	14	ChEMBL_2068527 (CHEMBL4723780)	Binding affinity to human CAMKK1 assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	15	ChEMBL_2068528 (CHEMBL4723781)	Binding affinity to human STK38L assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	16	ChEMBL_2068529 (CHEMBL4723782)	Binding affinity to human STK17A assessed as displacement of immobilized ligand by KINOMEscan scanMAX assay relative to control
50012666	17	ChEMBL_2068530 (CHEMBL4723783)	Inhibition of human MET in presence of ATP at Km level
50012666	18	ChEMBL_2068531 (CHEMBL4723784)	Inhibition of human NEK6 in presence of ATP at Km level
50012666	19	ChEMBL_2068532 (CHEMBL4723785)	Inhibition of human PIM2 in presence of ATP at Km level
50012666	20	ChEMBL_2068533 (CHEMBL4723786)	Inhibition of human WEE1 in presence of ATP at Km level
50012666	21	ChEMBL_2068534 (CHEMBL4723787)	Inhibition of human STK17B in presence of ATP at Km level
50012666	22	ChEMBL_2068535 (CHEMBL4723788)	Inhibition of human CAMKK2 in presence of ATP at Km level
50012666	23	ChEMBL_2068536 (CHEMBL4723789)	Inhibition of human AURKB in presence of ATP at Km level
50012666	24	ChEMBL_2068537 (CHEMBL4723790)	Inhibition of human CAMKK1 in presence of ATP at Km level
50012666	25	ChEMBL_2068538 (CHEMBL4723791)	Inhibition of human STK38L in presence of ATP at Km level
50012666	26	ChEMBL_2068539 (CHEMBL4723792)	Inhibition of human STK17A in presence of ATP at Km level
50012666	27	ChEMBL_2068540 (CHEMBL4723793)	Binding affinity to human CAMKK2 incubated for 2 hrs by nano-BRET assay based cellular target engagement assay
50012666	28	ChEMBL_2068541 (CHEMBL4723794)	Binding affinity to human AURKB incubated for 2 hrs by nano-BRET assay based cellular target engagement assay
50012666	29	ChEMBL_2068542 (CHEMBL4723795)	Binding affinity to human STK38L incubated for 2 hrs by nano-BRET assay based cellular target engagement assay
50012666	30	ChEMBL_2068543 (CHEMBL4723796)	Binding affinity to human STK17A incubated for 2 hrs by nano-BRET assay based cellular target engagement assay
50012669	1	ChEMBL_2068560 (CHEMBL4723813)	Inhibition of JAK2 V617F mutant in human SET-2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50012669	2	ChEMBL_2068561 (CHEMBL4723814)	Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50012669	3	ChEMBL_2068562 (CHEMBL4723815)	Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50012669	4	ChEMBL_2068566 (CHEMBL4723819)	Inhibition of human JAK1 (866 to end residues) using GEEPLYWSFPAKKK as substrate after 40 mins by [gamma-33ATP] radiometric assay
50012669	5	ChEMBL_2068567 (CHEMBL4723820)	Inhibition of recombinant human JAK2 (808 to end residues) KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate measured after 40 mins in presence of [gamm33P]ATP by scintillation counting method
50012669	6	ChEMBL_2068568 (CHEMBL4723821)	Inhibition of recombinant human JAK3 (781 to end residues) using GGEEEEYFELVKKKK as substrate measured after 40 mins in presence of [gamm33P]ATP by scintillation counting method
50012669	7	ChEMBL_2068569 (CHEMBL4723822)	Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50012669	8	ChEMBL_2068570 (CHEMBL4723823)	Inhibition of recombinant human FLT3 D835Y mutant (564 to end residues) using EAIYAAPFAKKK as substrate at 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50012671	1	ChEMBL_2068630 (CHEMBL4723883)	Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luciferin based Kinase-Glo luminescence assay
50012671	2	ChEMBL_2068631 (CHEMBL4723884)	Inhibition of PIM2 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luciferin based Kinase-Glo luminescence assay
50012671	3	ChEMBL_2068632 (CHEMBL4723885)	Inhibition of PIM3 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luciferin based Kinase-Glo luminescence assay
50012671	4	ChEMBL_2068643 (CHEMBL4723896)	Inhibition of GSK3beta (unknown origin)
50012671	5	ChEMBL_2068645 (CHEMBL4723898)	Inhibition of CYP3A4 (unknown origin)
50012671	6	ChEMBL_2068646 (CHEMBL4723899)	Inhibition of CYP2C9 (unknown origin)
50012671	7	ChEMBL_2068647 (CHEMBL4723900)	Inhibition of CYP2D6 (unknown origin)
50012671	8	ChEMBL_2068648 (CHEMBL4723901)	Inhibition of CYP1A2 (unknown origin)
50012671	9	ChEMBL_2068652 (CHEMBL4723905)	Inhibition of human ERG
50012675	1	ChEMBL_2068653 (CHEMBL4723906)	Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis
50012675	2	ChEMBL_2068655 (CHEMBL4723908)	Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay
50012675	3	ChEMBL_2068656 (CHEMBL4723909)	Binding affinity to human partial length BRD9 (R130 to V259 residues) by bromoKdELECT Discover assay
50012675	4	ChEMBL_2068660 (CHEMBL4723913)	Binding affinity to BRD4 BD1 (unknown origin) at 15 degree C by ITC analysis
50012675	5	ChEMBL_2068661 (CHEMBL4723914)	Binding affinity to BRD4 BD1 (unknown origin) at 37 degree C by ITC analysis
50012676	1	ChEMBL_2068698 (CHEMBL4723951)	Inhibition of Dopamine beta-hydroxylase (unknown origin) incubated for 10 mins
50012677	1	ChEMBL_2068788 (CHEMBL4724041)	Inhibition of PI3Kalpha in human MDA-MB-453 cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay
50012677	2	ChEMBL_2068790 (CHEMBL4724043)	Inhibition of PI3Kbeta in human 786-O cells assessed as reduction in phosphorylation of AKT at 473 measured after 1 hr by alpha screen assay
50012677	3	ChEMBL_2068791 (CHEMBL4724044)	Inhibition of PI3Kgamma in mouse RAW 264.7 cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay
50012677	4	ChEMBL_2068792 (CHEMBL4724045)	Inhibition of PI3Kdelta in human Raji cells assessed as reduction in phosphorylation of AKT at 473 measured after 2 hr by alpha screen assay
50012677	5	ChEMBL_2068837 (CHEMBL4724090)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control
50012677	6	ChEMBL_2068838 (CHEMBL4724091)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control
50012677	7	ChEMBL_2068839 (CHEMBL4724092)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control
50012677	8	ChEMBL_2068840 (CHEMBL4724093)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 45 mins by HTRF assay relative to control
50012678	1	ChEMBL_2068935 (CHEMBL4724188)	Inhibition of EGFR (unknown origin)
50012678	2	ChEMBL_2068936 (CHEMBL4724189)	Inhibition of human recombinant EGFR (668 to 1211) expressed in baculovirus infected Sf9 insect cells using poly-Glu-Tyr as substrate incubated for 5 mins in presence of ATP measured after 25 mins by dye based colorimetric analysis
50012678	3	ChEMBL_2068937 (CHEMBL4724190)	Inhibition of recombinant HER2 (675 to 1255) (unknown origin) expressed in baculovirus infected Sf9 insect cells using poly-Glu-Tyr as substrate incubated for 5 mins in presence of ATP measured after 25 mins by dye based colorimetric analysis
50012678	4	ChEMBL_2069029 (CHEMBL4724282)	Inhibition of HER2 (unknown origin) in presence of substrate incubated for 30 mins by ADP-Glo assay
50012679	1	ChEMBL_2069081 (CHEMBL4724334)	Inhibition of SphK1 (unknown origin)
50012679	2	ChEMBL_2069082 (CHEMBL4724335)	Inhibition of SphK2 (unknown origin)
50012683	1	ChEMBL_2069107 (CHEMBL4724360)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50012683	2	ChEMBL_2069108 (CHEMBL4724361)	Inhibition of electric eel AChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's method
50012683	3	ChEMBL_2069110 (CHEMBL4724363)	Inhibition of human N-terminal IDO1 expressed in Escherichia coli BL21 A1 cells using L-tryptophan as substrate measured after 30 mins by HPLC analysis
50012684	1	ChEMBL_2069115 (CHEMBL4724368)	Inhibition of SRC (unknown origin)
50012684	2	ChEMBL_2069116 (CHEMBL4724369)	Inhibition of HCK (unknown origin)
50012684	3	ChEMBL_2069117 (CHEMBL4724370)	Inhibition of SRC S345C mutant (unknown origin)
50012684	4	ChEMBL_2069121 (CHEMBL4724374)	Inhibition of BTK (unknown origin)
50012684	5	ChEMBL_2069123 (CHEMBL4724376)	Inhibition of EGFR (unknown origin)
50012684	6	ChEMBL_2069124 (CHEMBL4724377)	Inhibition of EGFR T790M mutant (unknown origin)
50012685	1	ChEMBL_2069125 (CHEMBL4724378)	Inhibition of LSD1 (unknown origin)
50012685	2	ChEMBL_2069126 (CHEMBL4724379)	Inhibition of human HDAC6 (unknown origin) using RHKKAc as substrate by fluorescence method
50012685	3	ChEMBL_2069132 (CHEMBL4724385)	Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence method
50012685	4	ChEMBL_2069133 (CHEMBL4724386)	Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence method
50012685	5	ChEMBL_2069134 (CHEMBL4724387)	Inhibition of human HDAC3/NCOR2 using RHKKAc as substrate by fluorescence method
50012685	6	ChEMBL_2069135 (CHEMBL4724388)	Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence method
50012685	7	ChEMBL_2069136 (CHEMBL4724389)	Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence method
50012685	8	ChEMBL_2069137 (CHEMBL4724390)	Inhibition of human HDAC8 using RHKAcKAc as substrate by fluorescence method
50012685	9	ChEMBL_2069138 (CHEMBL4724391)	Inhibition of human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence method
50012685	10	ChEMBL_2069139 (CHEMBL4724392)	Inhibition of HDAC10 (unknown origin)
50012685	11	ChEMBL_2069165 (CHEMBL4724418)	Inhibition of MAO-A (unknown origin)
50012685	12	ChEMBL_2069166 (CHEMBL4724419)	Inhibition of MAO-B (unknown origin)
50012685	13	ChEMBL_2069167 (CHEMBL4724420)	Inhibition of human ERG
50012686	1	ChEMBL_2069188 (CHEMBL4724441)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-A using [14C]-5-HT as substrate by radioassay method
50012686	2	ChEMBL_2069189 (CHEMBL4724442)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using [14C]-PEA as substrate by radioassay method
50012686	3	ChEMBL_2069191 (CHEMBL4724444)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using [14C]-PEA as substrate preincubated for 60 mins by radiochemical method
50012686	4	ChEMBL_2069192 (CHEMBL4724445)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using [14C]-PEA as substrate preincubated for 120 mins by radiochemical method
50012686	5	ChEMBL_2069193 (CHEMBL4724446)	Competitive inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using PEA as substrate by Lineweaver-Burk plot analysis
50012686	6	ChEMBL_2069194 (CHEMBL4724447)	Inhibition of Sprague-Dawley rat brain mitochondrial MAO-B using PEA as substrate preincubated for 60 mins
50012687	1	ChEMBL_2069195 (CHEMBL4724448)	Competitive inhibition of human HPGDS using PGH2 as substrate
50012687	2	ChEMBL_2069196 (CHEMBL4724449)	Inhibition of HPGDS (unknown origin) by fluorescence polarization assay
50012687	3	ChEMBL_2069200 (CHEMBL4724453)	Inhibition of HPGDS (unknown origin) assessed as reduction in reduction in LPS-induced PGD2 level by ELISA
50012688	1	ChEMBL_2069343 (CHEMBL4724596)	Inhibition of human N-terminal GST-tagged FGFR3 (436 to end residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 30 mins in presence of ATP by off-chip mobility shift assay
50012688	2	ChEMBL_2069349 (CHEMBL4724602)	Inhibition of human N-terminal GST-tagged FGFR1 (398 to end residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 30 mins in presence of ATP by off-chip mobility shift assay
50012688	3	ChEMBL_2069350 (CHEMBL4724603)	Inhibition of human N-terminal GST-tagged FGFR2 (399 to end residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 30 mins in presence of ATP by off-chip mobility shift assay
50012688	4	ChEMBL_2069351 (CHEMBL4724604)	Inhibition of human N-terminal GST-tagged FGFR4 (460 to end residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 30 mins in presence of ATP by off-chip mobility shift assay
50012688	5	ChEMBL_2069352 (CHEMBL4724605)	Inhibition of human N-terminal GST-tagged VEGFR2 (790 to end residues) expressed in baculovirus expression system using CSKtide as substrate incubated for 30 mins in presence of ATP by off-chip mobility shift assay
50012689	1	ChEMBL_2069392 (CHEMBL4724645)	Inhibition of P38alpha (unknown origin)
50012689	2	ChEMBL_2069394 (CHEMBL4724647)	Inhibition of JNK2 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
50012689	3	ChEMBL_2069396 (CHEMBL4724649)	Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
50012689	4	ChEMBL_2069397 (CHEMBL4724650)	Inhibition of JNK3alpha1 (unknown origin) using ATF2 as substrate after 22 mins in presence of ATP by HTRF assay
50012690	1	ChEMBL_2069399 (CHEMBL4724652)	Inhibition of human full length N-terminal His6-tagged recombinant IRAK4 expressed in baculovirus-infected Sf21 cells by Z'-LYTE assay
50012691	1	ChEMBL_2069432 (CHEMBL4724685)	Displacement of (1-(2-aminoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-((1-neopentyl-1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)methanone from AFG3L2 in vorinostat-stimulated human Jurkat 2C4 cells infected with latent HIV-1 by pull-down experiment based competitive binding assay
50012691	2	ChEMBL_2069433 (CHEMBL4724686)	Displacement of (1-(2-aminoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-((1-neopentyl-1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)methanone from NMRAL1 in vorinostat-stimulated human Jurkat 2C4 cells infected with latent HIV-1 by pull-down experiment based competitive binding assay
50012691	3	ChEMBL_2069434 (CHEMBL4724687)	Displacement of (1-(2-aminoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-((1-neopentyl-1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)methanone from FNTB in vorinostat-stimulated human Jurkat 2C4 cells infected with latent HIV-1 by pull-down experiment based competitive binding assay
50012691	4	ChEMBL_2069435 (CHEMBL4724688)	Displacement of (1-(2-aminoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)(4-((1-neopentyl-1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)methanone from FNTA in vorinostat-stimulated human Jurkat 2C4 cells infected with latent HIV-1 by pull-down experiment based competitive binding assay
50012692	1	ChEMBL_2069442 (CHEMBL4724695)	Inhibition of NanoLuc-tagged VHL in HEK293 cells incubated for 2 hrs by NanoBRET live cell assay
50012692	2	ChEMBL_2069443 (CHEMBL4724696)	Inhibition of recombinant human GST-tagged ERK5 (1 to 398 assessed as phosphorylated peptide substrate incubated for 60 mins by TR-FRET based biochemical assay
50012692	3	ChEMBL_2069447 (CHEMBL4724700)	Inhibition of VHL (unknown origin) assessed as phosphorylated peptide substrate incubated for 60 mins by TR-FRET based biochemical assay
50012693	1	ChEMBL_2069506 (CHEMBL4724759)	Inhibition of PD-1/PDL1 (unknown origin) by HTRF assay
50012693	2	ChEMBL_2069507 (CHEMBL4724760)	Inhibition of human PD-1/PDL1 by HTRF assay
50012695	1	ChEMBL_2069556 (CHEMBL4724809)	Agonist activity at rat GPR119 expressed in CHO cells co-expressing cyclic AMP response element incubated for 2 hrs by steady-glo luciferase assay
50012695	2	ChEMBL_2069557 (CHEMBL4724810)	Agonist activity at GPR119 in glucose-induced mouse L cells assessed as induction of GLP-1 secretion after 2 hrs by ELISA
50012695	3	ChEMBL_2069558 (CHEMBL4724811)	Agonist activity at GPR119 in glucose-induced golden hamster HIT-T15 cells assessed as increase in insulin secretion after 2 hrs by A1phaLISA
50012695	4	ChEMBL_2069565 (CHEMBL4724818)	Agonist activity at human GPR119 expressed in CHO cells co-expressing cyclic AMP response element incubated for 2 hrs by steady-glo luciferase assay
50012698	1	ChEMBL_2069566 (CHEMBL4724819)	Binding affinity to human partial length BRD2-BD1 (K71 to N194 residues) expressed in bacterial expression system by BROMOscan method
50012698	2	ChEMBL_2069567 (CHEMBL4724820)	Binding affinity to human partial length BRD3-BD1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan method
50012698	3	ChEMBL_2069568 (CHEMBL4724821)	Inhibition of BRD4-BD1 (unknown origin)
50012698	4	ChEMBL_2069569 (CHEMBL4724822)	Binding affinity to BRD4-BD1 (unknown origin)
50012698	5	ChEMBL_2069570 (CHEMBL4724823)	Inhibition of ERK5 (unknown origin)
50012698	6	ChEMBL_2069571 (CHEMBL4724824)	Inhibition of human ERG
50012698	7	ChEMBL_2069573 (CHEMBL4724826)	Inhibition of BRD4-BD1 (unknown origin) by TR-FRET assay
50012698	8	ChEMBL_2069574 (CHEMBL4724827)	Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced TNFalpha secretion preincubated for 1 hr followed by LPS-stimulation and measured after 20 hrs by magnetic beads technique based assay
50012698	9	ChEMBL_2069575 (CHEMBL4724828)	Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay
50012698	10	ChEMBL_2069577 (CHEMBL4724830)	Inhibition of human ERG stably expressed in CHO cells at holding potential of -80 mV incubated for 12 mins
50012698	11	ChEMBL_2069578 (CHEMBL4724831)	Binding affinity to human partial length BRD2-BD2 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan method
50012698	12	ChEMBL_2069579 (CHEMBL4724832)	Binding affinity to human partial length BRD3-BD2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan method
50012698	13	ChEMBL_2069580 (CHEMBL4724833)	Binding affinity to human partial length BRD4-BD1 (N44 to E168 residues) expressed in bacterial expression system by BROMOscan method
50012698	14	ChEMBL_2069581 (CHEMBL4724834)	Binding affinity to human partial length BRD4-BD2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan method
50012698	15	ChEMBL_2069582 (CHEMBL4724835)	Binding affinity to human partial length BRDT-BD1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan method
50012698	16	ChEMBL_2069583 (CHEMBL4724836)	Binding affinity to human partial length BRDT-BD2 (K250 to E382 residues) expressed in bacterial expression system by BROMOscan method
50012698	17	ChEMBL_2069584 (CHEMBL4724837)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan method
50012698	18	ChEMBL_2069585 (CHEMBL4724838)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan method
50012699	1	ChEMBL_2069608 (CHEMBL4724861)	Binding affinity to HSP27 (79 to 176 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by HSQC NMR analysis
50012701	1	ChEMBL_2069656 (CHEMBL4724909)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor expressed in HEK cell membranes incubated for 1.5 hrs by liquid scintillation counting method
50012701	2	ChEMBL_2069657 (CHEMBL4724910)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in HEK cell membranes incubated for 1.5 hrs by liquid scintillation counting method
50012701	3	ChEMBL_2069661 (CHEMBL4724914)	Inverse agonist activity at human recombinant cannabinoid CB2 receptor expressed in HEK cells transfected with CNG assessed as increase in cAMP level measured up to 1 hr by ACTOne membrane potential dye based assay
50012701	4	ChEMBL_2069663 (CHEMBL4724916)	Agonist activity at human recombinant cannabinoid CB1 receptor expressed in HEK cells transfected with CNG assessed as decrease in cAMP level measured up to 1 hr by ACTOne membrane potential dye based assay
50012701	5	ChEMBL_2069665 (CHEMBL4724918)	Agonist activity at human recombinant cannabinoid CB2 receptor expressed in HEK cells transfected with CNG assessed as decrease in cAMP level measured up to 1 hr by ACTOne membrane potential dye based assay
50012701	6	ChEMBL_2069667 (CHEMBL4724920)	Agonist activity at cannabinoid CB1 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrate preincubated for 5 hrs followed by substrate addition and measured after 2 hrs by Tango assay
50012701	7	ChEMBL_2069669 (CHEMBL4724922)	Agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrate preincubated for 5 hrs followed by substrate addition and measured after 2 hrs by Tango assay
50012701	8	ChEMBL_2069673 (CHEMBL4724926)	Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrate preincubated for 5 hrs followed by substrate addition and measured after 2 hrs by Tango assay
50012702	1	ChEMBL_2069689 (CHEMBL4724942)	Inhibition of recombinant wild type EGFR (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by ELISA
50012702	2	ChEMBL_2069690 (CHEMBL4724943)	Inhibition of recombinant wild type EGFR T790M/L858R mutant (696 to C terminal end) (unknown origin) using poly (Glu-Tyr) as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by ELISA
50012704	1	ChEMBL_2069748 (CHEMBL4725001)	Inhibition of human SGLT2 expressed in COS7 cells
50012704	2	ChEMBL_2069749 (CHEMBL4725002)	Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake
50012704	3	ChEMBL_2069750 (CHEMBL4725003)	Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction in [14C]-AMG uptake
50012706	1	ChEMBL_2069762 (CHEMBL4725015)	Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by substrate addition and measured after 60 mins by S-adenosyl methionine assay kit method
50012706	2	ChEMBL_2069763 (CHEMBL4725016)	Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysis
50012707	1	ChEMBL_2069766 (CHEMBL4725019)	Inhibition of human factor Xa using S-2238 as substrate by chromogenic assay
50012708	1	ChEMBL_2069782 (CHEMBL4725035)	Inhibition of human MMP2
50012708	2	ChEMBL_2069783 (CHEMBL4725036)	Inhibition of human MMP13
50012708	3	ChEMBL_2069785 (CHEMBL4725038)	Inhibition of human MMP1
50012708	4	ChEMBL_2069786 (CHEMBL4725039)	Inhibition of rabbit ACE using Abz-FRK(DNP)-P as substrate measured for every 30 sec for 5 mins by UV-fluorescence based assay
50012710	1	ChEMBL_2069794 (CHEMBL4725047)	Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis
50012710	2	ChEMBL_2069795 (CHEMBL4725048)	Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis
50012710	3	ChEMBL_2069796 (CHEMBL4725049)	Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis
50012710	4	ChEMBL_2069797 (CHEMBL4725050)	Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis
50012710	5	ChEMBL_2069798 (CHEMBL4725051)	Inhibition of human liver microsome CYP3A4 using sorafenib as substrate incubated for 20 mins by LC-MS/MS with HPLC analysis
50012710	6	ChEMBL_2069799 (CHEMBL4725052)	Inhibition of human ERG by fluorescence polarization assay
50012712	1	ChEMBL_2069830 (CHEMBL4725083)	Agonist activity at human RXRalpha transfected in human HEK293T cells co-expressing pFR/pRL-Luc incubated for 14 to 16 hrs by hybrid reporter gene assay
50012712	2	ChEMBL_2069832 (CHEMBL4725085)	Antagonist activity at human FXR-LBD transfected in human HEK293T cells co-expressing pFR-Luc/pRL assessed as reduction in GW4064-induced activity incubated for 14 to 16 hrs by hybrid reporter gene assay
50012712	3	ChEMBL_2069836 (CHEMBL4725089)	Agonist activity at human FXR-LBD transfected in human Cos7 cells incubated for overnight by luciferase reporter gene assay
50012712	4	ChEMBL_2069837 (CHEMBL4725090)	Activation of human PPARalpha transfected in human Cos7 cells incubated for overnight by luciferase reporter gene assay
50012712	5	ChEMBL_2069839 (CHEMBL4725092)	Agonist activity at human FXR-LBD transfected in human HEK293T cells co-expressing pFR-Luc/pRL incubated for 14 to 16 hrs by hybrid reporter gene assay
50012712	6	ChEMBL_2069840 (CHEMBL4725093)	Binding affinity to recombinant FXR-LBD (unknown origin) expressed in Escherichia coli BL21 (DE3) gold cells by isothermal titration calorimetry
50012713	1	ChEMBL_2069846 (CHEMBL4725099)	Inhibition of human TRPC6 channel transfected in HEK293 cells assessed as intracellular calcium level by FLIPR assay
50012714	1	ChEMBL_2069852 (CHEMBL4725105)	Antagonist activity at recombinant human S1P5 receptor expressed in Chem-1 cells assessed as EC80 S1P-induced calcium flux measured for 180 secs by FLIPR assay
50012714	2	ChEMBL_2069864 (CHEMBL4725117)	Binding affinity to recombinant human S1P5 receptor expressed in Chem-1 cell membrane by 33P-SIP binding assay
50012714	3	ChEMBL_2069865 (CHEMBL4725118)	Binding affinity to recombinant human S1P1 receptor expressed in Chem-1 cell membrane by 33P-SIP binding assay
50012714	4	ChEMBL_2069869 (CHEMBL4725122)	Inhibition of CYP3A4 (unknown origin)
50012714	5	ChEMBL_2069870 (CHEMBL4725123)	Inhibition of CYP1A2 (unknown origin)
50012714	6	ChEMBL_2069871 (CHEMBL4725124)	Inhibition of CYP2C9 (unknown origin)
50012714	7	ChEMBL_2069872 (CHEMBL4725125)	Inhibition of CYP2C19 (unknown origin)
50012714	8	ChEMBL_2069873 (CHEMBL4725126)	Inhibition of CYP2D6 (unknown origin)
50012714	9	ChEMBL_2069876 (CHEMBL4725129)	Agonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
50012714	10	ChEMBL_2069877 (CHEMBL4725130)	Agonist activity at recombinant human S1P2 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
50012714	11	ChEMBL_2069878 (CHEMBL4725131)	Agonist activity at recombinant human S1P3 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
50012714	12	ChEMBL_2069879 (CHEMBL4725132)	Agonist activity at recombinant human S1P4 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
50012714	13	ChEMBL_2069880 (CHEMBL4725133)	Agonist activity at recombinant human S1P5 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
50012716	1	ChEMBL_2069907 (CHEMBL4725160)	Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation by ELISA
50012716	2	ChEMBL_2069918 (CHEMBL4725171)	Displacement of Tracer 222 from N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues ) expressed in baculovirus-infected Sf9 cells incubated for 1 hr by HTRF lanthascreen binding assay
50012717	1	ChEMBL_2069926 (CHEMBL4725179)	Inhibition of IDO1 in recombinant IFN-gamma induced human HeLa cells incubated for 18 hrs by fluorescence microplate reader assay
50012717	2	ChEMBL_2069927 (CHEMBL4725180)	Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay
50012717	3	ChEMBL_2069931 (CHEMBL4725184)	Inhibition of IDO1 in IFN-gamma/LPS induced human whole blood assessed as tryptophan/kynurenine level measured after 18 hrs by RapidFire mass spectrometry
50012717	4	ChEMBL_2069932 (CHEMBL4725185)	Transactivation of PXR (unknown origin) assessed as CYP450 induction
50012717	5	ChEMBL_2069947 (CHEMBL4725200)	Inhibition of recombinant human CYP1A2
50012717	6	ChEMBL_2069948 (CHEMBL4725201)	Inhibition of recombinant human CYP2D6
50012717	7	ChEMBL_2069949 (CHEMBL4725202)	Inhibition of recombinant human CYP2C8
50012717	8	ChEMBL_2069950 (CHEMBL4725203)	Inhibition of recombinant human CYP2C9
50012717	9	ChEMBL_2069951 (CHEMBL4725204)	Inhibition of recombinant human CYP2C19
50012717	10	ChEMBL_2069952 (CHEMBL4725205)	Inhibition of recombinant human CYP3A4
50012718	1	ChEMBL_2070088 (CHEMBL4725622)	Inhibition of IKKbeta (unknown origin) assessed as substrate phosphorylation using IkappaBalpha as substrate incubated for 1 hr in presence of ATP by chip-based fluorescence assay
50012718	2	ChEMBL_2070089 (CHEMBL4725623)	Inhibition of IKKbeta in human THP-1 cells assessed as inhibition of TNFalpha-stimulated IkappaBalpha degradation by Western blot analysis
50012720	1	ChEMBL_2070142 (CHEMBL4725676)	Inhibition of PDE4B (unknown origin)
50012720	2	ChEMBL_2070143 (CHEMBL4725677)	Inhibition of PDE4D (unknown origin)
50012720	3	ChEMBL_2070144 (CHEMBL4725678)	Inhibition of PDE4 (unknown origin)
50012720	4	ChEMBL_2070145 (CHEMBL4725679)	Inhibition of human PDE4A expressed in insect sf9 cells using [3H]-cAMP as substrate
50012720	5	ChEMBL_2070146 (CHEMBL4725680)	Inhibition of human PDE4B expressed in insect sf9 cells using [3H]-cAMP as substrate
50012720	6	ChEMBL_2070147 (CHEMBL4725681)	Inhibition of PDE4D3 (unknown origin)
50012720	7	ChEMBL_2070148 (CHEMBL4725682)	Inhibition of PDE4D2 (1 to 507 residues) (unknown origin) by liquid scintillation counting method
50012720	8	ChEMBL_2070150 (CHEMBL4725684)	Inhibition of recombinant N-terminal GST-tagged full length human PDE4B1 expressed in baculovirus infected Sf9 cells using AMP as substrate by HPLC-MS method
50012720	9	ChEMBL_2070152 (CHEMBL4725686)	Inhibition of N-terminal GST tagged full length human PDE4B2 expressed in baculovirus infected Sf9 cell expression system using cAMP as substrate incubated for 60 mins by time-resolved fluorescence competitive immunoassay
50012720	10	ChEMBL_2070153 (CHEMBL4725687)	Inhibition of N-terminal GST tagged full length human PDE4C1 expressed in baculovirus infected Sf9 cell expression system using cAMP as substrate incubated for 60 mins by time-resolved fluorescence competitive immunoassay
50012720	11	ChEMBL_2070155 (CHEMBL4725689)	Inhibition of human PDE4B by scintillation counting method
50012720	12	ChEMBL_2070156 (CHEMBL4725690)	Inhibition of human PDE4D by scintillation counting method
50012720	13	ChEMBL_2070157 (CHEMBL4725691)	Inhibition of PDE4 in human U937 cell lysate using cAMP as substrate by LANCE assay
50012720	14	ChEMBL_2070158 (CHEMBL4725692)	Inhibition of NH2-terminal His6-tagged PDE4B catalytic domain (unknown origin) using Cyclic AMP as substrate incubated for 10 mins followed by substrate addition and measured after 45 mins by luminescence assay
50012720	15	ChEMBL_2070159 (CHEMBL4725693)	Inhibition of human PDE4 expressed in Saccharomyces cerevisiae preincubated for 30 mins followed by cAMP substrate addition
50012720	16	ChEMBL_2070160 (CHEMBL4725694)	Inhibition of recombinant human PDE4B2 using cAMP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by Alphascreen assay
50012720	17	ChEMBL_2070162 (CHEMBL4725696)	Inhibition of cytosolic PDE4 in human PMNL using [3H]cAMP as substrate by liquid scintillation counting method
50012720	18	ChEMBL_2070165 (CHEMBL4725699)	Inhibition of full length human PDE4B2 expressed in baculovirus infected Sf9 cell expression system preincubated for 10 mins followed by cAMP addition and measured after 30 mins by fluorescence method
50012720	19	ChEMBL_2070166 (CHEMBL4725700)	Inhibition of full length human PDE4D2 preincubated for 10 mins followed by cAMP addition and measured after 30 mins by fluorescence method
50012720	20	ChEMBL_2070167 (CHEMBL4725701)	Inhibition of human U-937 cell derived PDE4 using [3H]-cAMP or [3H]-cGMP as substrate incubated for 60 mins by scintillation proximity assay
50012720	21	ChEMBL_2070168 (CHEMBL4725702)	Inhibition of human U937 cell derived PDE4 preincubated for 15 mins followed by [3H]AMP and cAMP addition and measured after 20 mins by liquid scintillation counter
50012720	22	ChEMBL_2070170 (CHEMBL4725704)	Inhibition of human PDE4 using 5'-AMP or 5'-GMP as substrate by scintillation counting method
50012720	23	ChEMBL_2070171 (CHEMBL4725705)	Inhibition of PDE4 (unknown origin) expressed in Saccharomyces cerevisiae using [3H] cAMP as substrate incubated for 1 hr by scintillation proximity assay
50012720	24	ChEMBL_2070172 (CHEMBL4725706)	Inhibition of recombinant human PDE4B expressed in Sf9 cells by IMAP phosphodiesterase assay
50012720	25	ChEMBL_2070173 (CHEMBL4725707)	Inhibition of human PDE4C expressed in insect sf9 cells using [3H]-cAMP as substrate
50012720	26	ChEMBL_2070174 (CHEMBL4725708)	Inhibition of human PDE4D expressed in insect sf9 cells using [3H]-cAMP as substrate
50012720	27	ChEMBL_2070177 (CHEMBL4725711)	Inhibition of recombinant human PDE4B2 preincubated for 30 mins followed by [3H]cyclic AMP addition and measured after 20 mins by radiometric assay
50012720	28	ChEMBL_2070178 (CHEMBL4725712)	Inhibition of PDE4A (unknown origin)
50012720	29	ChEMBL_2070179 (CHEMBL4725713)	Inhibition of recombinant human PDE4B expressed in baculovirus infected Sf9 cells using cAMP as substrate after 30 min by HTRF assay
50012720	30	ChEMBL_2070180 (CHEMBL4725714)	Displacement of [3H]imipramine from recombinant human 5'-HT transporter expressed in CHO cells incubated for 60 mins by Scintillation counting method
50012720	31	ChEMBL_2070181 (CHEMBL4725715)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 cells using 3H-cGMP or 3H-cAMP as substrate by liquid scintillation counting method
50012720	32	ChEMBL_2070182 (CHEMBL4725716)	Inhibition of recombinant human PDE3A catalytic domain expressed in baculovirus infected sf9 cells using 3H-cAMP as substrate incubated for 20 mins by scintillation counting method
50012720	33	ChEMBL_2070183 (CHEMBL4725717)	Inhibition of recombinant human PDE4B catalytic domain expressed in baculovirus infected sf9 cells using 3H-cAMP as substrate incubated for 20 mins by scintillation counting method
50012720	34	ChEMBL_2070185 (CHEMBL4725719)	Inhibition of human neutrophil derived PDE4
50012720	35	ChEMBL_2070188 (CHEMBL4725722)	Inhibition of human PDE4 using [3H]cAMP as substrate incubated for 30 mins
50012720	36	ChEMBL_2070189 (CHEMBL4725723)	Inhibition of human U937 cell derived PDE4 using [3H]cAMP as substrate incubated for 60 mins by Scintillation proximity assay
50012720	37	ChEMBL_2070191 (CHEMBL4725725)	Inhibition of human PDE4B2 expressed in HEK293 cells using cAMP as substrate incubated for 45 to 60 mins by ELISA
50012720	38	ChEMBL_2070192 (CHEMBL4725726)	Inhibition of human PDE7A expressed in HEK293 cells using cAMP as substrate incubated for 60 mins by ELISA
50012720	39	ChEMBL_2070197 (CHEMBL4725731)	Inhibition of human brain PDE4B catalytic domain using cAMP as substrate incubated for 1 hr by luminescence method
50012720	40	ChEMBL_2070198 (CHEMBL4725732)	Inhibition of recombinant human N-terminal GST-tagged PDE10A1 (2 to 789 residues) expressed in baculovirus infected Sf9 cells using cAMP as substrate incubated for 60 mins by luminescence method
50012720	41	ChEMBL_2070199 (CHEMBL4725733)	Inhibition of full length human JNK2 using ATF2 as substrate by luminescence method
50012720	42	ChEMBL_2070200 (CHEMBL4725734)	Inhibition of full length human JNK3 using ATF2 as substrate by luminescence method
50012720	43	ChEMBL_2070201 (CHEMBL4725735)	Inhibition of recombinant human PDE4B2 using cAMP as substrate preincubated for 5 mins followed by substrate addition and measured after 60 mins by luminescence method
50012720	44	ChEMBL_2070202 (CHEMBL4725736)	Agonist activity at recombinant human beta2 adrenergic receptor expressed in CHO cells in presence of [3H](-)CGP12177
50012720	45	ChEMBL_2070203 (CHEMBL4725737)	Displacement of [3H]N -methylscopolamine from human muscarinic M3 receptor expressed in CHO-K1 cells incubated for 90 mins by scintillation counting method
50012720	46	ChEMBL_2070204 (CHEMBL4725738)	Inhibition of P38 alpha MAPK (unknown origin)
50012720	47	ChEMBL_2070205 (CHEMBL4725739)	Inhibition of JNK3 (unknown origin)
50012725	1	ChEMBL_2070231 (CHEMBL4725765)	Inhibition of HDAC1 (unknown origin)
50012725	2	ChEMBL_2070232 (CHEMBL4725766)	Inhibition of BRD4 (unknown origin)
50012725	3	ChEMBL_2070233 (CHEMBL4725767)	Inhibition of HDAC (unknown origin)
50012725	4	ChEMBL_2070239 (CHEMBL4725773)	Inhibition of BRD4 BD2 domain (unknown origin)
50012725	5	ChEMBL_2070240 (CHEMBL4725774)	Inhibition of recombinant human HDAC1 expressed in baculovirus expression system using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50012725	6	ChEMBL_2070241 (CHEMBL4725775)	Inhibition of recombinant human HDAC3 expressed in baculovirus expression system using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50012725	7	ChEMBL_2070242 (CHEMBL4725776)	Inhibition of recombinant human HDAC6 expressed in baculovirus expression system using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay
50012725	8	ChEMBL_2070245 (CHEMBL4725779)	Inhibition of VGFR2 (unknown origin)
50012725	9	ChEMBL_2070249 (CHEMBL4725783)	Inhibition of EGFR (unknown origin)
50012726	1	ChEMBL_2070259 (CHEMBL4725793)	Inhibition of human AAG using HXO2/Loop01 oligonucleotide as substrate incubated for 2 hrs by colorimetric based microplate assay
50012727	1	ChEMBL_2070262 (CHEMBL4725796)	Agonist activity at S1P1 (unknown origin)
50012727	2	ChEMBL_2070263 (CHEMBL4725797)	Agonist activity at S1P3 (unknown origin)
50012729	1	ChEMBL_2070306 (CHEMBL4725840)	Inhibition of human recombinant COX1 assessed as reduction in PGF2alpha formation using arachidonic acid as substrate preincubated for 10 mins measured after substrate addition by microplate reader based enzyme immunoassay
50012729	2	ChEMBL_2070307 (CHEMBL4725841)	Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation using arachidonic acid as substrate preincubated for 10 mins measured after substrate addition by microplate reader based enzyme immunoassay
50012730	1	ChEMBL_2070364 (CHEMBL4725898)	Positive allosteric modulation of rat mGlu2 receptor expressed in HEK293 cells coexpressing GIRK assessed as thallium influx in presence of EC20 glutamate by CODA-RET assay
50012730	2	ChEMBL_2070366 (CHEMBL4725900)	Positive allosteric modulation of rat mGlu4 receptor expressed in HEK293 cells coexpressing GIRK assessed as thallium influx in presence of EC20 glutamate by CODA-RET assay
50012731	1	ChEMBL_2070418 (CHEMBL4725952)	Binding affinity to wild type HIV1 integrase G140S/Q148H mutant
50012734	1	ChEMBL_2070419 (CHEMBL4725953)	Inhibition of MEK6 (unknown origin)
50012734	2	ChEMBL_2070426 (CHEMBL4725960)	Inhibition of recombinant human MEK4 (14 to 377 residues) after 5 mins by Western blot analysis
50012734	3	ChEMBL_2070429 (CHEMBL4725963)	Inhibition of MEK4 (unknown origin)
50012734	4	ChEMBL_2070431 (CHEMBL4725965)	Inhibition of MEK7 (unknown origin)
50012734	5	ChEMBL_2070437 (CHEMBL4725971)	Inhibition of MEK5 (unknown origin)
50012735	1	ChEMBL_2070440 (CHEMBL4725974)	Agonist activity at human FPR2 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanning fluorometric method
50012735	2	ChEMBL_2070441 (CHEMBL4725975)	Agonist activity at human FPR1 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanning fluorometric method
50012735	3	ChEMBL_2070443 (CHEMBL4725977)	Agonist activity at mouse FPR2 expressed in HEK 293 cells co-expressing Galpha15 measured every 1.5 sec for 80 sec by Fluo-4 NW staining based scanning fluorometric method
50012735	4	ChEMBL_2070445 (CHEMBL4725979)	Inhibition of recombinant human CYP3A4
50012735	5	ChEMBL_2070446 (CHEMBL4725980)	Agonist activity at human FPR2 expressed in CHO cells assessed as reduction cAMP accumulation incubated for 1 hr by TR-FRET assay
50012735	6	ChEMBL_2070447 (CHEMBL4725981)	Agonist activity at human FPR1 expressed in CHO cells assessed as reduction cAMP accumulation incubated for 1 hr by TR-FRET assay
50012735	7	ChEMBL_2070448 (CHEMBL4725982)	Agonist activity at mouse FPR2 expressed in CHO cells assessed as reduction cAMP accumulation incubated for 1 hr by TR-FRET assay
50012735	8	ChEMBL_2070449 (CHEMBL4725983)	Agonist activity at mouse FPR1 expressed in CHO cells assessed as reduction cAMP accumulation incubated for 1 hr by TR-FRET assay
50012735	9	ChEMBL_2070450 (CHEMBL4725984)	Agonist activity at human FPR2 expressed in CHO-K1 cells assessed as stimulation of beta-arrestin recruitment
50012735	10	ChEMBL_2070451 (CHEMBL4725985)	Agonist activity at FPR2 in human HL-60 cells assessed as reduction in chemoattractant induced chemotaxis by luminescence cell viability assay
50012735	11	ChEMBL_2070452 (CHEMBL4725986)	Agonist activity at FPR2 in mouse peritoneal macrophages assessed as inhibition of stimulated phagocytosis preincubated for 15 mins followed by FITC labeled zymosan addition and measured after 45 mins by Trypan blue staining based fluorescence assay
50012736	1	ChEMBL_2070497 (CHEMBL4726031)	Agonist activity at TLR8 in human cryopreserved PBMC assessed as inhibition of IL-12p40 production measured after 24 hrs
50012736	2	ChEMBL_2070498 (CHEMBL4726032)	Agonist activity at TLR7 in human cryopreserved PBMC assessed as induction of IFNalpha production measured after 24 hrs
50012737	1	ChEMBL_2070556 (CHEMBL4726090)	Inhibition of Haemophilus influenzae Rd IGA1 protease expressed in Escherichia coli BL21(DE3) preincubated for 1 hr followed by substrate addition and measured after 2 hrs by sandwich ELISA
50012738	1	ChEMBL_2070573 (CHEMBL4726107)	Inhibition of human PDE3A expressed in Sf9 cells using cAMP as substrate after 3 hrs by IMAP TR-FRET assay
50012742	1	ChEMBL_2070579 (CHEMBL4726113)	Displacement of fluorescent pTyr from recombinant His6-tagged human STAT3 (codons 127-711) expressed in Escherichia coli BL21 Rosetta after 45 mins by competitive fluorescence polarization assay
50012743	1	ChEMBL_2070588 (CHEMBL4726122)	Inhibition of His-tagged human recombinant soluble epoxide hydrolase pre-incubated for 15 mins before Epoxy-fluor7 substrate addition and measured after 20 mins by fluorescence based assay
50012743	2	ChEMBL_2070589 (CHEMBL4726123)	Inhibition of His-tagged human ERalpha pre-incubated for 15 mins before fluorescent ligand addition and measured after 1 hr by fluorescence polarization assay
50012743	3	ChEMBL_2070590 (CHEMBL4726124)	Inhibition of recombinant c-Kit (unknown origin) incubated for 1 hr by ADP-Glo assay
50012744	1	ChEMBL_2070595 (CHEMBL4726129)	Inhibition of HSP90 ATPase activity (unknown origin)
50012745	1	ChEMBL_2070607 (CHEMBL4726141)	Inhibition of CatD (unknown origin)
50012745	2	ChEMBL_2070610 (CHEMBL4726144)	Inhibition of recombinant human BACE1 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by FRET assay
50012745	3	ChEMBL_2070611 (CHEMBL4726145)	Inhibition of recombinant human BACE2 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by FRET assay
50012745	4	ChEMBL_2070612 (CHEMBL4726146)	Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP assessed as reduction in Abeta40 production incubated for overnight by ELISA
50012745	5	ChEMBL_2070616 (CHEMBL4726150)	Inhibition of CatE (unknown origin)
50012745	6	ChEMBL_2070622 (CHEMBL4726156)	Inhibition of CYP3A4 (unknown origin)
50012745	7	ChEMBL_2070623 (CHEMBL4726157)	Inhibition of CYP2D6 (unknown origin)
50012746	1	ChEMBL_2070644 (CHEMBL4726178)	Inhibition of EGFR (unknown origin) expressed in baculovirus system using fluorescein labeled PDGFR-tide substrate peptide preincubated for 60 mins followed by ATP addition and measured after 60 mins by IMAP assay
50012746	2	ChEMBL_2070645 (CHEMBL4726179)	Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lyntide substrate preincubated with enzyme for 60 mins followed by further incubation with substrate and ATP for 120 mins by IMAP assay
50012746	3	ChEMBL_2070646 (CHEMBL4726180)	Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system using Tyr 04 peptide as substrate preincubated for 1 hr by Z'-LYTE assay
50012746	4	ChEMBL_2070658 (CHEMBL4726192)	Inhibition of His-tagged recombinant human His-tagged full length BTK expressed in baculovirus expression system using Tyr01 peptide as substrate preincubated for 1 hr by Z'lyte assay
50012746	5	ChEMBL_2070659 (CHEMBL4726193)	Inhibition of His-tagged recombinant human TEC expressed in baculovirus expression system preincubated for 1 hr by Z'lyte assay
50012746	6	ChEMBL_2070660 (CHEMBL4726194)	Inhibition of His-tagged recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	7	ChEMBL_2070661 (CHEMBL4726195)	Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	8	ChEMBL_2070662 (CHEMBL4726196)	Inhibition of recombinant human N-terminal GST-tagged TXK (260 to 527 residues) expressed in baculovirus expression system using tyrosine-6 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	9	ChEMBL_2070663 (CHEMBL4726197)	Inhibition of His-tagged human recombinant ERBB2 (676 to 1255 residues) expressed in baculovirus expression system using Tyr 06 as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	10	ChEMBL_2070664 (CHEMBL4726198)	Inhibition of recombinant human N-terminal GST-tagged ERBB4 catalytic domain (708 to 993 residues) expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	11	ChEMBL_2070665 (CHEMBL4726199)	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system using tyrosine-6 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012746	12	ChEMBL_2070667 (CHEMBL4726201)	Inhibition of EGFR phosphorylation in human A431 cells
50012746	13	ChEMBL_2070675 (CHEMBL4726209)	Inhibition of recombinant full length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as substrate preincubated for 1 hr in presence of ATP by Z'-LYTE assay
50012748	1	ChEMBL_2070690 (CHEMBL4726224)	SARD activity at AR-LBD T877A mutant (unknown origin) after 4 hrs by luciferase assay
50012748	2	ChEMBL_2070691 (CHEMBL4726225)	SARD activity at AR-LBD F876L mutant (unknown origin) after 4 hrs by luciferase assay
50012748	3	ChEMBL_2070692 (CHEMBL4726226)	Displacement of [3H]-mibolerone from GST-tagged human AR-LBD expressed in HEK293 cells
50012748	4	ChEMBL_2070694 (CHEMBL4726228)	Antagonist activity at recombinant GST/His-tagged rat androgen receptor amino-terminal domain by fluorescence polarization assay
50012749	1	ChEMBL_2070711 (CHEMBL4726245)	Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis
50012751	1	ChEMBL_2070728 (CHEMBL4726262)	Antagonist activity at human FSHR expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012751	2	ChEMBL_2070730 (CHEMBL4726264)	Antagonist activity at human PRLHR expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012751	3	ChEMBL_2070731 (CHEMBL4726265)	Antagonist activity at human CCR3 expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012751	4	ChEMBL_2070732 (CHEMBL4726266)	Antagonist activity at human CCR8 expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012751	5	ChEMBL_2070733 (CHEMBL4726267)	Antagonist activity at human CX3CR1 expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012751	6	ChEMBL_2070734 (CHEMBL4726268)	Antagonist activity at human CXCR4 expressed in mouse C2C12 cells by PathHunter beta-arrestin assay
50012751	7	ChEMBL_2070735 (CHEMBL4726269)	Antagonist activity at HTR2C in human U2OS cells by PathHunter beta-arrestin assay
50012751	8	ChEMBL_2070736 (CHEMBL4726270)	Antagonist activity at human AVPR2 by PathHunter beta-arrestin assay
50012751	9	ChEMBL_2070737 (CHEMBL4726271)	Antagonist activity at human OXTR expressed in CHO-K1 cells by PathHunter beta-arrestin assay
50012752	1	ChEMBL_2070755 (CHEMBL4726289)	Induction of degradation of Flag-tagged human HMGCR-dCat-ELuc membrane domain (1 to 499 residues) expressed in HEK293 cells assessed as reduction in HMGCR-dCat-Eluc protein level after 4 hrs by luciferase reporter assay
50012753	1	ChEMBL_2070763 (CHEMBL4726297)	Inhibition of recombinant human N-terminal 6His-tagged ST6Gal-1 (Glu44 to Cys406 residues)
50012753	2	ChEMBL_2070766 (CHEMBL4726300)	Inhibition of rat liver ST6Gal-1 by HPLC-based assay
50012753	3	ChEMBL_2070767 (CHEMBL4726301)	Inhibition of rat liver ST6Gal-1 using p-nitrophenyl-DL-alanine measured up to 20 mins by HPLC analysis
50012753	4	ChEMBL_2070768 (CHEMBL4726302)	Displacement of fluorescent probe from human ST6Gal-1 by fluorescence polarization assay
50012756	1	ChEMBL_2070879 (CHEMBL4726413)	Binding affinity to 5-HT1A (unknown origin)
50012757	1	ChEMBL_2070956 (CHEMBL4726490)	Inhibition of PDE5 (unknown origin)
50012757	2	ChEMBL_2070958 (CHEMBL4726492)	Inhibition of PDE5 in human platelets incubated for 30 mins using cGMP as substrate by HPLC analysis relative to sildenafil
50012760	1	ChEMBL_2070974 (CHEMBL4726508)	Binding affinity to NK1R (unknown origin) expressed in HEK293 cells assessed as reduction in cell viability incubated for 96 hrs by MTT assay
50012762	1	ChEMBL_2071034 (CHEMBL4726568)	Inhibition of recombinant human carbonic anhydrase 1 assessed as inhibition constant preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50012762	2	ChEMBL_2071035 (CHEMBL4726569)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition constant preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50012762	3	ChEMBL_2071036 (CHEMBL4726570)	Inhibition of recombinant human carbonic anhydrase 9 assessed as inhibition constant preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50012762	4	ChEMBL_2071037 (CHEMBL4726571)	Inhibition of recombinant human carbonic anhydrase 12 assessed as inhibition constant preincubated with enzyme for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50012763	1	ChEMBL_2071126 (CHEMBL4726660)	Inhibition of beta lactamase VIM-2 in Pseudomonas aeruginosa 3015473 in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spectrophotometry analysis
50012763	2	ChEMBL_2071127 (CHEMBL4726661)	Inhibition of beta lactamase GIM-1 in Pseudomonas aeruginosa in presence of nitrocefin as reporter substrate measured after 5 mins by microplate spectrophotometry analysis
50012764	1	ChEMBL_2071147 (CHEMBL4726681)	Inhibition of Fischer 344 rat kidney ALR1 using sodium D-glucuronate as substrate measured up to 4 mins at 37 degC using NaHCO3/DMSO-dissolved compound by spectrophotometric analysis
50012764	2	ChEMBL_2071148 (CHEMBL4726682)	Inhibition of Fischer 344 rat eye lens ALR2 using D,L-glyceraldehyde as substrate measured up to 4 mins at 30 degC using NaHCO3/DMSO-dissolved compound by spectrophotometric analysis
50012766	1	ChEMBL_2071171 (CHEMBL4726705)	Inhibition of CYP1A2 in human liver microsomes after 20 mins by LC-MS/MS analysis
50012766	2	ChEMBL_2071172 (CHEMBL4726706)	Inhibition of CYP2C9 in human liver microsomes after 20 mins by LC-MS/MS analysis
50012766	3	ChEMBL_2071173 (CHEMBL4726707)	Inhibition of CYP2C19 in human liver microsomes after 20 mins by LC-MS/MS analysis
50012766	4	ChEMBL_2071174 (CHEMBL4726708)	Inhibition of CYP2D6 in human liver microsomes after 20 mins by LC-MS/MS analysis
50012766	5	ChEMBL_2071175 (CHEMBL4726709)	Inhibition of CYP3A4 in human liver microsomes after 20 mins by LC-MS/MS analysis
50012766	6	ChEMBL_2071213 (CHEMBL4726747)	Inhibition of human ERG expressed in HEK293 cells by whole cell manual patch clamp method
50012766	7	ChEMBL_2071216 (CHEMBL4726750)	Inhibition of recombinant human MAOA expressed in baculovirus infected insect cells using kynuramine as substrate measured after 20 mins by LC-MS/MS analysis
50012766	8	ChEMBL_2071217 (CHEMBL4726751)	Inhibition of recombinant human MAOB expressed in baculovirus infected insect cells using kynuramine as substrate measured after 20 mins by LC-MS/MS analysis
50012767	1	ChEMBL_2071320 (CHEMBL4726854)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells pre-incubated for 10 mins in presence of SAM and SAHH before RCC1-6 addition and measured after 15 mins by fluorescence based SAHH-coupled assay
50012767	2	ChEMBL_2071323 (CHEMBL4726857)	Inhibition of human His-tagged G9a (913 to 1193 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL using H3-21 peptide as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50012767	3	ChEMBL_2071324 (CHEMBL4726858)	Inhibition of rat His6-tagged PRMT1 expressed in Escherichia coli BL21(DE3) using H4-21 peptide as substrate preincubated for 10 mins in presence of SAM followed by substrate addition by fluorescence assay
50012767	4	ChEMBL_2071330 (CHEMBL4726864)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me3RCC1 level at 2 uM pre-incubated for 10 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	5	ChEMBL_2071331 (CHEMBL4726865)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me3RCC1 level at 10 uM pre-incubated for 10 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	6	ChEMBL_2071332 (CHEMBL4726866)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me3RCC1 level at 50 uM pre-incubated for 10 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	7	ChEMBL_2071333 (CHEMBL4726867)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me2RCC1 level at 2 uM pre-incubated for 10 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	8	ChEMBL_2071334 (CHEMBL4726868)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me2RCC1 level at 10 uM pre-incubated for 10 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	9	ChEMBL_2071335 (CHEMBL4726869)	Inhibition of recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells assessed as Me2RCC1 level at 10 uM pre-incubated for 0 mins before RCC1 substrate addition and measured after 15 mins by Western blot analysis relative to control
50012767	10	ChEMBL_2071336 (CHEMBL4726870)	Binding affinity to recombinant human full-length His6-tagged NTMT1 (1 to 222 residues) by ITC assay
50012767	11	ChEMBL_2071337 (CHEMBL4726871)	Binding affinity to recombinant human full-length His6-tagged NTMT2 by ITC assay
50012768	1	ChEMBL_2071442 (CHEMBL4726976)	Inhibition of recombinant GGDPS (unknown origin) using [14C] IPP and FPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by liquid scintillation counting method
50012768	2	ChEMBL_2071443 (CHEMBL4726977)	Inhibition of recombinant FDPS (unknown origin) using [14C] IPP and GPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min by liquid scintillation counting method
50012769	1	ChEMBL_2071466 (CHEMBL4727000)	Substrate-dependent activation of HDAC8 (unknown origin) using FLUOR DE LYS as substrate incubated for 30 mins by fluorescence based assay
50012770	1	ChEMBL_2071467 (CHEMBL4727001)	Antagonist activity at human TRPV4
50012770	2	ChEMBL_2071468 (CHEMBL4727002)	Antagonist activity at mouse TRPV4
50012770	3	ChEMBL_2071469 (CHEMBL4727003)	Antagonist activity at rat TRPV4
50012772	1	ChEMBL_2071471 (CHEMBL4727005)	Inhibition of murine ATGL expressed in COS-7 cells
50012772	2	ChEMBL_2071473 (CHEMBL4727007)	Inhibition of recombinant murine ATGL expressed in Escherichia coli XL-1 lysates
50012772	3	ChEMBL_2071483 (CHEMBL4727017)	Inhibition of murine ATGL
50012773	1	ChEMBL_2071486 (CHEMBL4727020)	Competitive inhibition of bovine beta trypsin using Bz-Arg-NH-Np as substrate at pH 7 at 30 degC
50012774	1	ChEMBL_2071491 (CHEMBL4727025)	Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using glutathione and methylglyoxal as substrates preincubated for 15 mins followed by enzyme addition by double beam UV-vis spectrophotometric method
50012774	2	ChEMBL_2071492 (CHEMBL4727026)	Inhibition of recombinant human N-terminal Met and 6-His-tagged Glyoxalase-1 (Ala2 to Met184 residues) using methylglyoxal and reduced glutathione as substrates by spectrophotometric method
50012775	1	ChEMBL_2071494 (CHEMBL4727028)	Binding affinity to full length BRD2 BD2 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	2	ChEMBL_2071495 (CHEMBL4727029)	Binding affinity to full length BRD3 BD2 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	3	ChEMBL_2071500 (CHEMBL4727034)	Binding affinity to human partial length TRIM24 (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50012775	4	ChEMBL_2071501 (CHEMBL4727035)	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50012775	5	ChEMBL_2071502 (CHEMBL4727036)	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50012775	6	ChEMBL_2071503 (CHEMBL4727037)	Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) expressed in Escherichia coli BL21(DE3) measured after 30 mins by TR-FRET assay
50012775	7	ChEMBL_2071506 (CHEMBL4727040)	Displacement of Alexa Fluor 647 labelled ligand from His6-thr-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) by TR-FRET assay
50012775	8	ChEMBL_2071507 (CHEMBL4727041)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) by TR-FRET assay
50012775	9	ChEMBL_2071510 (CHEMBL4727044)	Displacement of Alexa Fluor 647 labelled ligand from His6-thr-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant (unknown origin) after 30 mins by TR-FRET assay
50012775	10	ChEMBL_2071511 (CHEMBL4727045)	Displacement of Alexa Fluor 647 labelled ligand from His6-tagged BRD4 BD2 (1 to 477 residues)/BD1 Y97A mutant (unknown origin) after 30 mins by TR-FRET assay
50012775	11	ChEMBL_2071512 (CHEMBL4727046)	Inhibition of ATAD2 (unknown origin) by TR-FRET assay
50012775	12	ChEMBL_2071517 (CHEMBL4727051)	Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50012775	13	ChEMBL_2071518 (CHEMBL4727052)	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50012775	14	ChEMBL_2071519 (CHEMBL4727053)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50012775	15	ChEMBL_2071520 (CHEMBL4727054)	Binding affinity to human partial length BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by bromoscan assay
50012775	16	ChEMBL_2071521 (CHEMBL4727055)	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50012775	17	ChEMBL_2071522 (CHEMBL4727056)	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50012775	18	ChEMBL_2071523 (CHEMBL4727057)	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50012775	19	ChEMBL_2071524 (CHEMBL4727058)	Binding affinity to human partial length BRDT bromodomain 2 (K250 to E382 residues) expressed in bacterial expression system by bromoscan assay
50012775	20	ChEMBL_2071529 (CHEMBL4727063)	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50012775	21	ChEMBL_2071530 (CHEMBL4727064)	Binding affinity to full length BRD2 BD1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	22	ChEMBL_2071531 (CHEMBL4727065)	Binding affinity to full length BRD3 BD1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	23	ChEMBL_2071532 (CHEMBL4727066)	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50012775	24	ChEMBL_2071533 (CHEMBL4727067)	Binding affinity to full length BRD4 BD1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	25	ChEMBL_2071534 (CHEMBL4727068)	Binding affinity to full length BRDT BD1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	26	ChEMBL_2071535 (CHEMBL4727069)	Binding affinity to full length BRD4 BD2 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	27	ChEMBL_2071536 (CHEMBL4727070)	Binding affinity to full length BRDT BD2 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	28	ChEMBL_2071540 (CHEMBL4727074)	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50012775	29	ChEMBL_2071541 (CHEMBL4727075)	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50012775	30	ChEMBL_2071546 (CHEMBL4727080)	Binding affinity to full length TAF1 in human HuT78 cell lysates incubated for 45 mins by liquid chromatography-mass spectrometry based chemoproteomic binding assay
50012775	31	ChEMBL_2071547 (CHEMBL4727081)	Displacement of AlexaFluor 488-labelled BD-AF488 from TAF1 BD2 (unknown origin) incubated for 15 mins by TR-FRET assay
50012776	1	ChEMBL_2071578 (CHEMBL4727112)	Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50012776	2	ChEMBL_2071579 (CHEMBL4727113)	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50012776	3	ChEMBL_2071586 (CHEMBL4727120)	Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-inhibitor complex using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Line-weaver Burk plot analysis
50012776	4	ChEMBL_2071587 (CHEMBL4727121)	Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant for enzyme-substrate-inhibitor complex using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Line-weaver Burk plot analysis
50012776	5	ChEMBL_2071588 (CHEMBL4727122)	Displacement of propidium iodide from PAS region of electric eel AChE by fluorescence assay
50012776	6	ChEMBL_2071590 (CHEMBL4727124)	Inhibition human BACE1 expressed in baculovirus expression system using Panvera peptide as substrate measured after 60 mins by fluorescence assay
50012777	1	ChEMBL_2071657 (CHEMBL4727191)	Inhibition of human cathepsin B
50012779	1	ChEMBL_2071680 (CHEMBL4727214)	Inhibition of p38alpha MAPK (unknown origin)
50012779	2	ChEMBL_2071693 (CHEMBL4727227)	Inhibition of CYP3A4 (unknown origin)
50012779	3	ChEMBL_2071694 (CHEMBL4727228)	Inhibition of CYP2C9 (unknown origin)
50012779	4	ChEMBL_2071695 (CHEMBL4727229)	Inhibition of CYP1A2 (unknown origin)
50012779	5	ChEMBL_2071696 (CHEMBL4727230)	Inhibition of CYP2C19 (unknown origin)
50012779	6	ChEMBL_2071697 (CHEMBL4727231)	Inhibition of CYP2D6 (unknown origin)
50012779	7	ChEMBL_2071698 (CHEMBL4727232)	Inhibition of human ERG
50012779	8	ChEMBL_2071699 (CHEMBL4727233)	Inhibition of p38beta MAPK (unknown origin)
50012779	9	ChEMBL_2071700 (CHEMBL4727234)	Inhibition of p38gamma MAPK (unknown origin)
50012779	10	ChEMBL_2071701 (CHEMBL4727235)	Inhibition of p38delta MAPK (unknown origin)
50012779	11	ChEMBL_2071702 (CHEMBL4727236)	Inhibition of human MSK1
50012779	12	ChEMBL_2071703 (CHEMBL4727237)	Inhibition of human MAPKAPK2
50012779	13	ChEMBL_2071704 (CHEMBL4727238)	Inhibition of p38alpha in human PBMC assessed as increase in LPS-induced ATF2 phosphorylation stimulated with LPS for 35 mins followed by compound treatment measured after 1 hr in presence of ATP by Western blot analysis
50012781	1	ChEMBL_2071740 (CHEMBL4727274)	Agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay
50012781	2	ChEMBL_2071752 (CHEMBL4727286)	Partial agonist activity at human NMUR1 expressed in CHO cells by calcium mobilization assay
50012781	3	ChEMBL_2071753 (CHEMBL4727287)	Agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assay
50012782	1	ChEMBL_2071782 (CHEMBL4727316)	Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assessed as dissociation constant by radioligand binding assay
50012782	2	ChEMBL_2071783 (CHEMBL4727317)	Antagonist activity at human V1a receptor expressed in human 1321N1 cells assessed as decrease in Arg8-vasopressin-stimulated calcium flux by fluorometric calcium assay
50012783	1	ChEMBL_2071795 (CHEMBL4727329)	Inhibition of COX1 (unknown origin)
50012783	2	ChEMBL_2071796 (CHEMBL4727330)	Inhibition of COX2 (unknown origin)
50012784	1	ChEMBL_2071805 (CHEMBL4727339)	Inverse agonist activity at RORgammat (unknown origin) expressed in Jurkat cells by reporter assay
50012784	2	ChEMBL_2071806 (CHEMBL4727340)	Activation of PXR (unknown origin)
50012784	3	ChEMBL_2071810 (CHEMBL4727344)	Inverse agonist activity at ROR-alpha (unknown origin) expressed in Jurkat cells by gal4 reporter assay
50012784	4	ChEMBL_2071811 (CHEMBL4727345)	Inverse agonist activity at ROR-beta (unknown origin) expressed in Jurkat cells by gal4 reporter assay
50012784	5	ChEMBL_2071812 (CHEMBL4727346)	Agonist activity at LXR-alpha (unknown origin) expressed in CV-1 fibroblast cells
50012784	6	ChEMBL_2071813 (CHEMBL4727347)	Agonist activity at LXR-beta (unknown origin) expressed in CV-1 fibroblast cells
50012785	1	ChEMBL_2071816 (CHEMBL4727350)	Agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release
50012785	2	ChEMBL_2071817 (CHEMBL4727351)	Partial agonist activity at human glucocorticoid receptor in PBMC assessed as inhibition of LPS-induced TNFalpha release
50012786	1	ChEMBL_2071881 (CHEMBL4727415)	Inhibition of recombinant full length BTK (unknown origin) expressed in baculovirus infected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-NH2 peptide as substrate incubated for 60 mins followed by further incubation with substrate and ATP for 120 mins by TR-FRET assay
50012786	2	ChEMBL_2071882 (CHEMBL4727416)	Inhibition of BTK in human PBMC assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with goat anti-human IgM F(ab')2 for 18 hrs by immunostaining analysis
50012786	3	ChEMBL_2071883 (CHEMBL4727417)	Inhibition of BTK in human whole blood assessed as reduction in cell surface CD69 expression preincubated for 1 hr followed by stimulation with anti-CD79b for 3 hrs by immunostaining analysis
50012786	4	ChEMBL_2071884 (CHEMBL4727418)	Inhibition of BLK (unknown origin)
50012786	5	ChEMBL_2071885 (CHEMBL4727419)	Inhibition of BMX (unknown origin)
50012786	6	ChEMBL_2071886 (CHEMBL4727420)	Inhibition of CSK (unknown origin)
50012786	7	ChEMBL_2071887 (CHEMBL4727421)	Inhibition of ERBB4 (unknown origin)
50012786	8	ChEMBL_2071888 (CHEMBL4727422)	Inhibition of FGR (unknown origin)
50012786	9	ChEMBL_2071889 (CHEMBL4727423)	Inhibition of FRK (unknown origin)
50012786	10	ChEMBL_2071890 (CHEMBL4727424)	Inhibition of FYN (unknown origin)
50012786	11	ChEMBL_2071891 (CHEMBL4727425)	Inhibition of LCK (unknown origin)
50012786	12	ChEMBL_2071892 (CHEMBL4727426)	Inhibition of LYNB (unknown origin)
50012786	13	ChEMBL_2071893 (CHEMBL4727427)	Inhibition of PTK6 (unknown origin)
50012786	14	ChEMBL_2071894 (CHEMBL4727428)	Inhibition of SRC (unknown origin)
50012786	15	ChEMBL_2071895 (CHEMBL4727429)	Inhibition of SRMS (unknown origin)
50012786	16	ChEMBL_2071896 (CHEMBL4727430)	Inhibition of TEC (unknown origin)
50012786	17	ChEMBL_2071897 (CHEMBL4727431)	Inhibition of TXK (unknown origin)
50012786	18	ChEMBL_2071898 (CHEMBL4727432)	Inhibition of YES1 (unknown origin)
50012787	1	ChEMBL_2071930 (CHEMBL4727464)	Inhibition of Hepatitis C virus 1a NS5A
50012787	2	ChEMBL_2071931 (CHEMBL4727465)	Inhibition of Hepatitis C virus 1b NS5A
50012787	3	ChEMBL_2071935 (CHEMBL4727469)	Inhibition of Hepatitis C virus 2a NS5A
50012787	4	ChEMBL_2071936 (CHEMBL4727470)	Inhibition of Hepatitis C virus 3a NS5A
50012787	5	ChEMBL_2071937 (CHEMBL4727471)	Inhibition of Hepatitis C virus 1a NS5A Q30R mutant
50012787	6	ChEMBL_2071939 (CHEMBL4727473)	Inhibition of Hepatitis C virus 1a NS5A Q30E mutant
50012787	7	ChEMBL_2071940 (CHEMBL4727474)	Inhibition of Hepatitis C virus 1a H77 NS5A
50012787	8	ChEMBL_2071941 (CHEMBL4727475)	Inhibition of Hepatitis C virus 1b con1 NS5A
50012793	1	ChEMBL_2071948 (CHEMBL4727482)	Antagonist activity at TLR7 in mouse P4H1 cells assessed as inhibition of imiquimod-induced IL6 production
50012793	2	ChEMBL_2071950 (CHEMBL4727484)	Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production
50012793	3	ChEMBL_2071951 (CHEMBL4727485)	Antagonist activity at TLR9 in mouse splenocytes assessed as inhibition of CpG1585-induced IL6 production
50012793	4	ChEMBL_2071952 (CHEMBL4727486)	Antagonist activity at TLR7 in human PBMC assessed as inhibition of ssRNA40-induced IFNalpha production
50012793	5	ChEMBL_2071954 (CHEMBL4727488)	Antagonist activity at TLR8 in human THP-1 cells assessed as inhibition of resiquimod-induced TNFalpha production
50012793	6	ChEMBL_2071955 (CHEMBL4727489)	Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-induced IFNalpha production
50012794	1	ChEMBL_2071985 (CHEMBL4727519)	Inhibition of PAK1 (unknown origin)
50012795	1	ChEMBL_2072009 (CHEMBL4727543)	Inhibition of ASK1 (unknown origin)
50012795	2	ChEMBL_2072010 (CHEMBL4727544)	Inhibition of p38 (unknown origin)
50012795	3	ChEMBL_2072011 (CHEMBL4727545)	Inhibition of EGFR (unknown origin)
50012795	4	ChEMBL_2072012 (CHEMBL4727546)	Inhibition of HER4 (unknown origin)
50012795	5	ChEMBL_2072013 (CHEMBL4727547)	Inhibition of MER (unknown origin)
50012795	6	ChEMBL_2072014 (CHEMBL4727548)	Inhibition of RET (unknown origin)
50012795	7	ChEMBL_2072015 (CHEMBL4727549)	Inhibition of ROCK1 (unknown origin)
50012795	8	ChEMBL_2072016 (CHEMBL4727550)	Inhibition of ITK (unknown origin)
50012795	9	ChEMBL_2072017 (CHEMBL4727551)	Inhibition of ERBB4 (unknown origin)
50012795	10	ChEMBL_2072018 (CHEMBL4727552)	Inhibition of EPHA3 (unknown origin)
50012795	11	ChEMBL_2072020 (CHEMBL4727554)	Inhibition of CDK2 (unknown origin)
50012795	12	ChEMBL_2072035 (CHEMBL4727569)	Inhibition of PRKKA1 (unknown origin)
50012795	14	ChEMBL_2072037 (CHEMBL4727571)	Binding affinity to ASK1 (unknown origin)
50012798	1	ChEMBL_2072069 (CHEMBL4727603)	Inhibition of human SGLT1 expressed in CHO cells assessed as reduction in [14C]-methyl-alpha -D-glucopyranoside accumulation
50012798	2	ChEMBL_2072070 (CHEMBL4727604)	Inhibition of human SGLT2 expressed in CHO cells assessed as reduction in [14C]-methyl-alpha -D-glucopyranoside accumulation
50012798	3	ChEMBL_2072104 (CHEMBL4727638)	Inhibition of SGLT1 (unknown origin)
50012798	4	ChEMBL_2072105 (CHEMBL4727639)	Inhibition of SGLT2 (unknown origin)
50012798	5	ChEMBL_2072106 (CHEMBL4727640)	Inhibition of Flag-tagged human SGLT1 expressed in HEK293 cells assessed as reduction in [14C]-methyl-alpha -D-glucopyranoside accumulation
50012798	6	ChEMBL_2072107 (CHEMBL4727641)	Inhibition of Flag-tagged human SGLT2 expressed in HEK293 cells assessed as reduction in [14C]-methyl-alpha -D-glucopyranoside accumulation
50012799	1	ChEMBL_2072143 (CHEMBL4727677)	Agonist activity at Rev-Erb alpha (unknown origin) by FRET assay
50012799	2	ChEMBL_2072144 (CHEMBL4727678)	Agonist activity at Rev-Erb alpha (unknown origin) by BMAL1-luciferase reporter assay
50012799	3	ChEMBL_2072145 (CHEMBL4727679)	Antagonist activity at Rev-Erb alpha (unknown origin) by BMAL1-luciferase reporter assay
50012799	4	ChEMBL_2072146 (CHEMBL4727680)	Antagonist activity at Rev-Erb alpha (unknown origin) by RORE-luciferase reporter assay
50012799	5	ChEMBL_2072147 (CHEMBL4727681)	Inverse agonist activity at Rev-Erb alpha LBD (unknown origin) by FRET assay
50012803	1	ChEMBL_2072182 (CHEMBL4727716)	Inhibition of SPAK (unknown origin) by ELISA
50012805	1	ChEMBL_2072196 (CHEMBL4727730)	Inhibition of NLRP3 inflammasome in mouse J774.A1 cells assessed as reduction in LPS-induced IL-1beta release
50012805	2	ChEMBL_2072197 (CHEMBL4727731)	Inhibition of NLRP3 inflammasome in human primary glial cells assessed as reduction in LPS-induced IL-1beta release
50012807	1	ChEMBL_2072214 (CHEMBL4727748)	Inhibition of human ALK2 using casein as substrate by [gamma-33P]-ATP assay
50012807	2	ChEMBL_2072219 (CHEMBL4727753)	Inhibition of human ALK1 using casein as substrate by [gamma-33P]-ATP assay
50012807	3	ChEMBL_2072221 (CHEMBL4727755)	Inhibition of human ALK3 using casein as substrate by [gamma-33P]-ATP assay
50012807	4	ChEMBL_2072222 (CHEMBL4727756)	Inhibition of human ALK4 using casein as substrate by [gamma-33P]-ATP assay
50012807	5	ChEMBL_2072223 (CHEMBL4727757)	Inhibition of human ALK5 using casein as substrate by [gamma-33P]-ATP assay
50012807	6	ChEMBL_2072224 (CHEMBL4727758)	Inhibition of human ALK6 using casein as substrate by [gamma-33P]-ATP assay
50012807	7	ChEMBL_2072225 (CHEMBL4727759)	Inhibition of human BMPR2 using MBP as substrate by [gamma-33P]-ATP assay
50012807	8	ChEMBL_2072226 (CHEMBL4727760)	Inhibition of human TGFBR2 using MBP as substrate by [gamma-33P]-ATP assay
50012807	9	ChEMBL_2072228 (CHEMBL4727762)	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012807	10	ChEMBL_2072229 (CHEMBL4727763)	Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50012808	1	ChEMBL_2072251 (CHEMBL4727785)	Inhibition of human cathepsin B using Z-Arg-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay
50012808	2	ChEMBL_2072252 (CHEMBL4727786)	Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay
50012808	3	ChEMBL_2072253 (CHEMBL4727787)	Inhibition of human cathepsin L using Phe-Arg-pNA as substrate measured after 60 mins by spectrophotometric assay
50012808	4	ChEMBL_2072255 (CHEMBL4727789)	Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay
50012809	1	ChEMBL_2072271 (CHEMBL4727805)	Inhibition of chemR23 in human CAL1 cells assessed as inhibition of chemerin-induced intracellular calcium ion concentration preincubated for 45 mins followed by human chemerin addition by FDSS6000 analysis
50012809	2	ChEMBL_2072283 (CHEMBL4727817)	Inhibition of chemR23 expressed in human CAL1 cells assessed as reduction in chemerin-induced chemotaxis incubated for 4 hrs by cell counting based CellTiter-Glo assay
50012811	1	ChEMBL_2072404 (CHEMBL4727938)	Inhibition of CDK1/cyclinB (unknown origin)
50012813	1	ChEMBL_2072418 (CHEMBL4727952)	Inhibition of human recombinant HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate incubated for 24 hrs measured after 30 mins by microplate reader based spectrophotometric analysis
50012813	2	ChEMBL_2072419 (CHEMBL4727953)	Inhibition of human recombinant HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate incubated for 24 hrs measured after 30 mins by microplate reader based spectrophotometric analysis
50012813	3	ChEMBL_2072420 (CHEMBL4727954)	Inhibition of human recombinant HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(eacety1)-AMC as substrate incubated for 3 hrs measured after 30 mins by microplate reader based spectrophotometric analysis
50012815	1	ChEMBL_2072507 (CHEMBL4728041)	Inhibition of BRAF V600E mutant (unknown origin)
50012816	1	ChEMBL_2072516 (CHEMBL4728050)	Inhibition G9a (unknown origin)
50012816	2	ChEMBL_2072517 (CHEMBL4728051)	Inhibition of GLP (unknown origin)
50012817	1	ChEMBL_2072544 (CHEMBL4728078)	Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged full length USP7 using di-ubiquitin as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50012817	2	ChEMBL_2072545 (CHEMBL4728079)	Inhibition of recombinant human His-tagged USP7 (208 to 560 residues) expressed in Hi-five Sf9 cells using monoubiquitinated ubiquitin-rhodamine as substrate incubated for 1 hr by fluorescence based assay
50012817	3	ChEMBL_2072546 (CHEMBL4728080)	Inhibition of recombinant full length USP7 (unknown origin) using di-ubiquitin as substrate by fluorescence based assay
50012817	4	ChEMBL_2072550 (CHEMBL4728084)	Allosteric binding affinity to USP7 catalytic domain (unknown origin) at Met328, Trp285, Gly284, Gln405 and Gly313 residues by NMR-15N-1H TROSY spectral titration analysis
50012817	5	ChEMBL_2072551 (CHEMBL4728085)	Allosteric binding affinity to USP7 catalytic domain (unknown origin) at Met328 residues by NMR-15N-1H TROSY spectral titration analysis
50012817	6	ChEMBL_2072552 (CHEMBL4728086)	Binding affinity to USP7 (unknown origin) by T2 relaxation experiment based analysis
50012817	7	ChEMBL_2072555 (CHEMBL4728089)	Inhibition of USP47 (unknown origin)
50012817	8	ChEMBL_2072556 (CHEMBL4728090)	Inhibition of USP1 (unknown origin)
50012817	9	ChEMBL_2072557 (CHEMBL4728091)	Inhibition of USP14 (unknown origin)
50012819	1	ChEMBL_2072561 (CHEMBL4728095)	Inhibition of electric eel AChE by Ellman's method
50012819	2	ChEMBL_2072562 (CHEMBL4728096)	Inhibition of equine serum BuChE by Ellman's method
50012819	3	ChEMBL_2072564 (CHEMBL4728098)	Mixed type inhibition of electric eel AChE assessed as inhibition constant using varying levels of acetylthiocholine as substrate by reciprocal Lineweaver-Burk plot analysis
50012821	1	ChEMBL_2072576 (CHEMBL4728110)	Inhibition of human FAAH1 incubated for 60 mins
50012821	2	ChEMBL_2072577 (CHEMBL4728111)	Inhibition of rat FAAH1 incubated for 60 mins
50012823	1	ChEMBL_2072587 (CHEMBL4728121)	Inhibition of PI3Kdelta (unknown origin)
50012823	2	ChEMBL_2072589 (CHEMBL4728123)	Inhibition of PI3Kalpha (unknown origin)
50012823	3	ChEMBL_2072590 (CHEMBL4728124)	Inhibition of PI3Kbeta (unknown origin)
50012823	4	ChEMBL_2072591 (CHEMBL4728125)	Inhibition of PI3Kgamma (unknown origin)
50012823	5	ChEMBL_2072599 (CHEMBL4728133)	Inhibition of recombinant human His-tagged PI3Kdelta expressed in baculovirus expression system using PIP2:PS as substrate incubated for 1 hr by invitrogen adapta assay
50012823	6	ChEMBL_2072600 (CHEMBL4728134)	Inhibition of recombinant human His-tagged PI3Kalpha expressed in insect cell expression system using PIP2:PS as substrate incubated for 1 hr by invitrogen adapta assay
50012823	7	ChEMBL_2072601 (CHEMBL4728135)	Inhibition of recombinant human His-tagged PI3Kbeta expressed in insect cell expression system using PIP2:PS as substrate incubated for 1 hr by invitrogen adapta assay
50012823	8	ChEMBL_2072602 (CHEMBL4728136)	Inhibition of recombinant human His-tagged PI3Kgamma expressed in baculovirus expression system using PIP2:PS as substrate incubated for 1 hr by invitrogen adapta assay
50012825	1	ChEMBL_2072743 (CHEMBL4728277)	Binding affinity to DYRK1A (unknown origin)
50012825	2	ChEMBL_2072744 (CHEMBL4728278)	Binding affinity to DYRK1B (unknown origin)
50012825	3	ChEMBL_2072745 (CHEMBL4728279)	Binding affinity to CLK1 (unknown origin)
50012825	4	ChEMBL_2072746 (CHEMBL4728280)	Binding affinity to CLK2 (unknown origin)
50012825	5	ChEMBL_2072747 (CHEMBL4728281)	Binding affinity to CLK4 (unknown origin)
50012825	6	ChEMBL_2072748 (CHEMBL4728282)	Binding affinity to CLK3 (unknown origin)
50012825	7	ChEMBL_2072749 (CHEMBL4728283)	Binding affinity to PIM1 (unknown origin)
50012825	8	ChEMBL_2072750 (CHEMBL4728284)	Binding affinity to PIM3 (unknown origin)
50012825	9	ChEMBL_2072751 (CHEMBL4728285)	Binding affinity to CSNK1G2 (unknown origin)
50012825	10	ChEMBL_2072752 (CHEMBL4728286)	Binding affinity to CSNK1G3 (unknown origin)
50012825	11	ChEMBL_2072753 (CHEMBL4728287)	Binding affinity to CSNK1D (unknown origin)
50012825	12	ChEMBL_2072754 (CHEMBL4728288)	Binding affinity to CSNK1E (unknown origin)
50012825	13	ChEMBL_2072755 (CHEMBL4728289)	Binding affinity to MAP3K19 (unknown origin)
50012825	14	ChEMBL_2072768 (CHEMBL4728302)	Inhibition of human CLK1 by radiometric assay
50012825	15	ChEMBL_2072769 (CHEMBL4728303)	Inhibition of human CLK2 by radiometric assay
50012825	16	ChEMBL_2072770 (CHEMBL4728304)	Inhibition of human CLK3 by radiometric assay
50012825	17	ChEMBL_2072771 (CHEMBL4728305)	Inhibition of human CLK4 by radiometric assay
50012825	18	ChEMBL_2072772 (CHEMBL4728306)	Inhibition of DYRK1A (unknown origin) by radiometric assay
50012825	19	ChEMBL_2072773 (CHEMBL4728307)	Inhibition of human DYRK1B by radiometric assay
50012825	20	ChEMBL_2072774 (CHEMBL4728308)	Inhibition of human DYRK2 by radiometric assay
50012825	21	ChEMBL_2072775 (CHEMBL4728309)	Inhibition of human HIPK1 by radiometric assay
50012825	22	ChEMBL_2072776 (CHEMBL4728310)	Inhibition of human HIPK2 by radiometric assay
50012825	23	ChEMBL_2072777 (CHEMBL4728311)	Inhibition of human HIPK3 by radiometric assay
50012825	24	ChEMBL_2072780 (CHEMBL4728314)	Inhibition of full length wild type CLK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substrate addition by NanoBRET assay
50012825	25	ChEMBL_2072783 (CHEMBL4728317)	Inhibition of recombinant CLK3 (unknown origin) using Ac-ERMRPRKRQGSVdP(Sox)G-NH2 as substrate after 5 mins by Omnia Kinase Assay
50012825	26	ChEMBL_2072786 (CHEMBL4728320)	Inhibition of CLK1 (H148 to I484 residues) (unknown origin) at 15 uM by isothermal titration calorimetry
50012825	27	ChEMBL_2072787 (CHEMBL4728321)	Inhibition of CLK3 (R134 to T484 residues) (unknown origin) at 15 uM by isothermal titration calorimetry
50012826	1	ChEMBL_2072935 (CHEMBL4728469)	Inhibition of BRD4 (unknown origin)
50012826	2	ChEMBL_2072936 (CHEMBL4728470)	Inhibition of JAK2 (unknown origin)
50012826	3	ChEMBL_2072937 (CHEMBL4728471)	Inhibition of ALK (unknown origin)
50012826	4	ChEMBL_2072939 (CHEMBL4728473)	Inhibition of His6-tagged BRD4 bromodomain 1 (unknown origin) expressed in Escherichia coli Bl21(DE3) cells incubated for 4 hrs by FP assay
50012826	5	ChEMBL_2072948 (CHEMBL4728482)	Inhibition of human CDK9 by mobility shift assay relative to control
50012826	6	ChEMBL_2072952 (CHEMBL4728486)	Inhibition of human CDK2 by kinome scan method
50012829	1	ChEMBL_2072973 (CHEMBL4728507)	Inhibition of human PRMT5/MEP50 assessed as reduction in methyltransferase activity using histone 4 peptide as substrate in presence of [3H]SAM incubated for 30 mins
50012830	1	ChEMBL_2073000 (CHEMBL4728534)	Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins by fluorescence assay
50012830	2	ChEMBL_2073005 (CHEMBL4728539)	Inhibition of recombinant mouse soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins by fluorescence assay
50012830	3	ChEMBL_2073032 (CHEMBL4728566)	Inhibition of recombinant rat soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured at 30 secs interval for 10 mins by fluorescence assay
50012832	1	ChEMBL_2073190 (CHEMBL4728724)	Inhibition of human ABCG2 expressed in MDCK2 cells co-expressing GFP preincubated for 30 mins followed by Hoechst 33342 addition and measured every 60 sec for 120 mins by fluorescence assay
50012832	2	ChEMBL_2073192 (CHEMBL4728726)	Inhibition of human ABCG2 expressed in MDCK2 cells co-expressing GFP preincubated for 15 mins followed by pheophorbideA addition and measured after 2 hrs by flow cytometric analysis
50012832	3	ChEMBL_2073196 (CHEMBL4728730)	Inhibition of human ABCB1 expressed in A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 60 mins by fluorescence assay
50012832	4	ChEMBL_2073197 (CHEMBL4728731)	Inhibition of human ABCC1 expressed in MDCK2 cells preincubated for 30 mins followed by calcein AM addition and measured every 60 secs for 60 mins by fluorescence assay
50012832	5	ChEMBL_2073198 (CHEMBL4728732)	Inhibition of human ABCG2-mediated multidrug resistance in MDCK2 cells assessed as potentiation of SN-38-induced cytotoxicity by measuring half maximal reversal concentration after 72 hrs by MTT assay
50012832	6	ChEMBL_2073206 (CHEMBL4728740)	Inhibition of human ABCB1-mediated multidrug resistance in human A2780/ADR cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring half maximal reversal concentration after 72 hrs by MTT assay
50012832	7	ChEMBL_2073211 (CHEMBL4728745)	Inhibition of human ABCC1-mediated multidrug resistance in MDCK2 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring half maximal reversal concentration after 72 hrs by MTT assay
50012833	1	ChEMBL_2073243 (CHEMBL4728777)	Inhibition of human ERG expressed in CHO cells measured after 5 mins by Qpatch method
50012833	2	ChEMBL_2073302 (CHEMBL4728836)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 15 mins by LC-MS/MS analysis
50012833	3	ChEMBL_2073303 (CHEMBL4728837)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 15 mins by LC-MS/MS analysis
50012833	4	ChEMBL_2073304 (CHEMBL4728838)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate measured after 15 mins by LC-MS/MS analysis
50012833	5	ChEMBL_2073305 (CHEMBL4728839)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured after 15 mins by LC-MS/MS analysis
50012833	6	ChEMBL_2073306 (CHEMBL4728840)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 15 mins by LC-MS/MS analysis
50012833	7	ChEMBL_2073307 (CHEMBL4728841)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 15 mins by LC-MS/MS analysis
50012833	8	ChEMBL_2073308 (CHEMBL4728842)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 15 mins by LC-MS/MS analysis
50012833	9	ChEMBL_2073309 (CHEMBL4728843)	Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate measured after 15 mins by LC-MS/MS analysis
50012834	1	ChEMBL_2073392 (CHEMBL4728926)	Inhibition of CSF1R (unknown origin)
50012834	2	ChEMBL_2073393 (CHEMBL4728927)	Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R (538 to 910 residues) preincubated for 20 mins followed by Eu-labeled anti-His antibody addition and measured after 90 mins by FRET based LanthaScreen assay
50012834	3	ChEMBL_2073394 (CHEMBL4728928)	Binding affinity to human wild type CSF1R (I564 to S939 residues) expressed in bacterial expression system by kinome scan assay
50012834	4	ChEMBL_2073395 (CHEMBL4728929)	Binding affinity to human wild type FLT3 (V592 to Y969 residues) expressed in bacterial expression system by kinome scan assay
50012834	5	ChEMBL_2073397 (CHEMBL4728931)	Binding affinity to c-Kit (unknown origin) by kinome scan assay
50012834	6	ChEMBL_2073399 (CHEMBL4728933)	Inhibition of human PDGFRbeta phosphorylation in PDGF-DD induced human HEK293-TetR cells incubated for 1 hr followed by PDGF-DD stimulation and measured after 5 mins by HTRF assay
50012834	7	ChEMBL_2073400 (CHEMBL4728934)	Inhibition of CSF1R phosphorylation in M-CSF induced human THP1 cells incubated for 30 mins by ELISA assay
50012834	8	ChEMBL_2073402 (CHEMBL4728936)	Binding affinity to human wild type PDGFRbeta (V582 to Y1009 residues) expressed in bacterial expression system by kinome scan assay
50012834	9	ChEMBL_2073404 (CHEMBL4728938)	Binding affinity to human wild type PDGFRalpha (V575 to D1002 residues) expressed in mammalian expression system by kinome scan assay
50012834	10	ChEMBL_2073406 (CHEMBL4728940)	Inhibition of CSF1R in mouse NFS-60 cells assessed as reduction in CSF-induced cell proliferation after 72 hrs by CellTiter-Glo assay
50012835	1	ChEMBL_2073593 (CHEMBL4729127)	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr by p-NPP substrate based microplate reader analysis
50012835	2	ChEMBL_2073596 (CHEMBL4729130)	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP-TGFalpha/Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr by p-NPP substrate based microplate reader analysis
50012835	3	ChEMBL_2073600 (CHEMBL4729134)	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr by p-NPP substrate based microplate reader analysis
50012835	4	ChEMBL_2073602 (CHEMBL4729136)	Agonist activity at zebrafish GPR34 type a expressed in HEK293 cells co-transfected with AP-TGFalpha/Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr by p-NPP substrate based microplate reader analysis
50012835	5	ChEMBL_2073604 (CHEMBL4729138)	Agonist activity at zebrafish GPR34 type b expressed in HEK293 cells co-transfected with AP-TGFalpha/Galphaq/i1 assessed as induction of ectodomain shedding of membrane bound AP-TGFalpha after 1 hr by p-NPP substrate based microplate reader analysis
50012836	1	ChEMBL_2073667 (CHEMBL4729201)	Inhibition of human carbonic anhydrase 13 expressed in Escherichia coliBL21(DE3) pLysS incubated for 10 mins by phenol red dye based assay
50012837	1	ChEMBL_2073679 (CHEMBL4729213)	Inhibition of recombinant human AChE using ATC as substrate by DTNB-reagent based Ellman's method
50012838	1	ChEMBL_2073695 (CHEMBL4729229)	Inhibition of human PDE5A1 (535-860 residues) expressed in Escherichia coli BL21 incubated for 15 mins using [3H]-cGMP as substrate by liquid scintillation counting method
50012838	2	ChEMBL_2073696 (CHEMBL4729230)	Inhibition of human PDE6C (2-854 residues) expressed in Sf9 cells incubated for 15 mins using [3H]-cGMP as substrate by liquid scintillation counting method
50012838	3	ChEMBL_2073700 (CHEMBL4729234)	Inhibition of human PDE1B (10-487 residues) expressed in Sf9 cells incubated for 15 mins using [3H]-cGMP as substrate by liquid scintillation counting method
50012838	4	ChEMBL_2073702 (CHEMBL4729236)	Inhibition of PDE2A catalytic domain (580 to 941 residues) (unknown origin) using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50012838	5	ChEMBL_2073704 (CHEMBL4729238)	Inhibition of PDE3A catalytic domain (679 to 1087 residues) (unknown origin) using 3H-cAMP as substrate after 15 mins by liquid scintillation counting method
50012838	6	ChEMBL_2073706 (CHEMBL4729240)	Inhibition of human PDE4D2 catalytic domain (86 to 413 residues) using [3H]cAMP as substrate after 15 mins by liquid scintillation counting method
50012838	7	ChEMBL_2073708 (CHEMBL4729242)	Inhibition of PDE7A1 catalytic domain (130 to 482 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50012838	8	ChEMBL_2073710 (CHEMBL4729244)	Inhibition of PDE8A1 catalytic domain (480 to 820 residues) (unknown origin) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50012838	9	ChEMBL_2073712 (CHEMBL4729246)	Inhibition of recombinant human PDE9A2 catalytic domain (181 to 506 residues) expressed in Escherichia coli BL21 using 3H-cGMP as substrate after 15 mins by liquid scintillation counting method
50012838	10	ChEMBL_2073714 (CHEMBL4729248)	Inhibition of human PDE10A catalytic domain (449 to 770 residues) using [3H]-cAMP as substrate after 15 mins by liquid scintillation counting method
50012838	11	ChEMBL_2073716 (CHEMBL4729250)	Inhibition of PDE11A catalytic domain (unknown origin) using [3H]-cAMP or [3H]-GAMP as substrate after 15 mins by liquid scintillation counting method
50012838	12	ChEMBL_2073749 (CHEMBL4729283)	Inhibition of CYP1A2 (unknown origin)
50012838	13	ChEMBL_2073750 (CHEMBL4729284)	Inhibition of CYP2B6 (unknown origin)
50012838	14	ChEMBL_2073751 (CHEMBL4729285)	Inhibition of CYP2C9 (unknown origin)
50012838	15	ChEMBL_2073752 (CHEMBL4729286)	Inhibition of CYP2D6 (unknown origin)
50012838	16	ChEMBL_2073753 (CHEMBL4729287)	Inhibition of CYP3A4 (unknown origin)
50012838	17	ChEMBL_2073754 (CHEMBL4729288)	Inhibition of human ERG expressed in CHO cells by patch-clamp electrophysiology method
50012840	1	ChEMBL_2073756 (CHEMBL4729290)	Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 3 hrs by fluorescence polarization assay
50012840	2	ChEMBL_2073757 (CHEMBL4729291)	Inhibition of biotinylated Bim peptide (81 to 106 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells preincubated for 1 hr followed by biotinylated Bim peptide addition measured after 2 hrs by ELISA
50012840	3	ChEMBL_2073758 (CHEMBL4729292)	Inhibition of N-terminal biotin-labeled BIM BH3 peptide (141 to 166 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for >=30 mins by fluorescence polarization
50012841	1	ChEMBL_2073860 (CHEMBL4729394)	Inhibition of CYP1A2 (unknown origin)
50012841	2	ChEMBL_2073861 (CHEMBL4729395)	Inhibition of CYP2C19 (unknown origin)
50012841	3	ChEMBL_2073862 (CHEMBL4729396)	Inhibition of CYP2C9 (unknown origin)
50012841	4	ChEMBL_2073863 (CHEMBL4729397)	Inhibition of CYP2D6 (unknown origin)
50012841	5	ChEMBL_2073864 (CHEMBL4729398)	Inhibition of CYP3A4 (unknown origin)
50012842	1	ChEMBL_2073879 (CHEMBL4729413)	Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012842	2	ChEMBL_2073880 (CHEMBL4729414)	Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012842	3	ChEMBL_2073882 (CHEMBL4729416)	Inhibition of human recombinant HDAC2 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012842	4	ChEMBL_2073884 (CHEMBL4729418)	Inhibition of human recombinant HDAC3 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012842	5	ChEMBL_2073886 (CHEMBL4729420)	Inhibition of human recombinant HDAC4 using Boc-Lys-(epsilon-Tfa)-AMC fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012842	6	ChEMBL_2073888 (CHEMBL4729422)	Inhibition of human recombinant HDAC8 using Boc-Lys-(epsilon-Tfa)-AMC fluorogenic substrate incubated for 90 mins by fluorescence based assay
50012845	1	ChEMBL_2073910 (CHEMBL4729444)	Inhibition of recombinant human N-terminal GST-tagged IRAK1 (194 to 712 residues) expressed in baculovirus expression system using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate measured after 240 mins by mobility shift assay
50012845	2	ChEMBL_2073911 (CHEMBL4729445)	Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding assay
50012845	3	ChEMBL_2073913 (CHEMBL4729447)	Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrate measured after 240 mins by mobility shift assay
50012845	4	ChEMBL_2073916 (CHEMBL4729450)	Inhibition of GSG2 (unknown origin)
50012845	5	ChEMBL_2073917 (CHEMBL4729451)	Inhibition of CDK11/cyclin C (unknown origin)
50012845	6	ChEMBL_2073924 (CHEMBL4729458)	Inhibition of CRBN (unknown origin)
50012845	7	ChEMBL_2073929 (CHEMBL4729463)	Inhibition of CDK8/cyclin C (unknown origin)
50012845	8	ChEMBL_2073930 (CHEMBL4729464)	Inhibition of NTRK3 (unknown origin)
50012845	9	ChEMBL_2073931 (CHEMBL4729465)	Displacement of polymer supported probe 25 binding to IRAK1 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012845	10	ChEMBL_2073932 (CHEMBL4729466)	Displacement of polymer supported probe 25 binding to IRAK3 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012845	11	ChEMBL_2073933 (CHEMBL4729467)	Displacement of polymer supported probe 25 binding to IRAK4 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012845	12	ChEMBL_2073934 (CHEMBL4729468)	Displacement of polymer supported probe 25 binding to CDK8 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012845	13	ChEMBL_2073935 (CHEMBL4729469)	Displacement of polymer supported probe 25 binding to CDK11 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012845	14	ChEMBL_2073936 (CHEMBL4729470)	Displacement of polymer supported probe 25 binding to GSG2 in human THP-1 cell lysates preincubated for 45 mins under shaking condition followed by probe addition and measured after 30 mins by mass spectrometry based chemoproteomic analysis
50012846	1	ChEMBL_2074031 (CHEMBL4729565)	Inhibition of HDAC1 (unknown origin)
50012846	2	ChEMBL_2074032 (CHEMBL4729566)	Inhibition of HDAC6 (unknown origin)
50012846	3	ChEMBL_2074034 (CHEMBL4729568)	Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	4	ChEMBL_2074035 (CHEMBL4729569)	Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	5	ChEMBL_2074036 (CHEMBL4729570)	Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	6	ChEMBL_2074037 (CHEMBL4729571)	Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	7	ChEMBL_2074038 (CHEMBL4729572)	Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	8	ChEMBL_2074039 (CHEMBL4729573)	Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	9	ChEMBL_2074040 (CHEMBL4729574)	Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	10	ChEMBL_2074041 (CHEMBL4729575)	Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	11	ChEMBL_2074042 (CHEMBL4729576)	Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012846	12	ChEMBL_2074043 (CHEMBL4729577)	Inhibition of human HDAC11 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay
50012847	1	ChEMBL_2074095 (CHEMBL4729629)	Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) using FBP as substrate in presence of PGI and G6PDH by spectrophotometric method
50012847	2	ChEMBL_2074098 (CHEMBL4729632)	Inhibition of recombinant human ADK measured at interval of 1 to 2 mins for 30 to 40 mins by spectrophotometric method
50012847	3	ChEMBL_2074099 (CHEMBL4729633)	Activation of mouse liver Glycogen phosphorylase
50012847	4	ChEMBL_2074100 (CHEMBL4729634)	Activation of rat liver phosphofructokinase
50012847	5	ChEMBL_2074140 (CHEMBL4729674)	Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometric method
50012847	6	ChEMBL_2074141 (CHEMBL4729675)	Inhibition of FBPase (unknown origin)
50012849	1	ChEMBL_2074145 (CHEMBL4729679)	Inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 15 mins
50012849	2	ChEMBL_2074146 (CHEMBL4729680)	Noncompetitive inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates assessed as EADPR formation using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr
50012849	3	ChEMBL_2074147 (CHEMBL4729681)	Competitive inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates assessed as EADPR formation using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr
50012849	4	ChEMBL_2074148 (CHEMBL4729682)	Inhibition of recombinant human SARM1 SAM1-2-TIR domains (412 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr
50012849	5	ChEMBL_2074149 (CHEMBL4729683)	Inhibition of recombinant human SARM1 SAM1-2-TIR domains (412 to 724 residues) expressed in Expi293 cells lysates using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr
50012849	6	ChEMBL_2074150 (CHEMBL4729684)	Inhibition of purified human SARM1 TIR domain (561 to 724 residues) using ENAD as substrate preincubated for 20 mins followed by ENAD addition and measured at 15 sec interval for 1 hr
50012851	1	ChEMBL_2074151 (CHEMBL4729685)	Inhibition of human N type calcium channel Cav2.2 endogenously expressed in SH-SY5Y cells assessed as calcium influx by FRIPR assay
50012851	2	ChEMBL_2074152 (CHEMBL4729686)	Inhibition of human T type calcium channel Cav3.2 expressed in HEK-293T cells assessed as calcium influx by FRIPR assay
50012851	3	ChEMBL_2074154 (CHEMBL4729688)	Inhibition of human Cav2.2 expressed in HEK293 cells by whole cell patch clamp electrophysiology method
50012855	1	ChEMBL_2074168 (CHEMBL4729702)	Inhibition of MEK (unknown origin)
50012855	2	ChEMBL_2074169 (CHEMBL4729703)	Inhibition of Topoisomerase 1 (unknown origin)
50012855	3	ChEMBL_2074176 (CHEMBL4729710)	Inhibition of EGFR (unknown origin) using ATF-2 as substrate after 1 hr by radiometric based ELISA
50012855	4	ChEMBL_2074183 (CHEMBL4729717)	Inhibition of EGFR (unknown origin)
50012855	5	ChEMBL_2074184 (CHEMBL4729718)	Inhibition of BRAF V600E mutant (unknown origin)
50012855	6	ChEMBL_2074185 (CHEMBL4729719)	Inhibition of ABL (unknown origin)
50012855	7	ChEMBL_2074186 (CHEMBL4729720)	Inhibition of Src (unknown origin)
50012855	8	ChEMBL_2074187 (CHEMBL4729721)	Inhibition of c-kit (unknown origin)
50012855	9	ChEMBL_2074189 (CHEMBL4729723)	Inhibition of Topoisomerase 2 (unknown origin)
50012858	1	ChEMBL_2074192 (CHEMBL4729726)	Inhibition of rat Arg1 at pH 7.4
50012858	2	ChEMBL_2074193 (CHEMBL4729727)	Binding affinity to human Arg1 at pH 8.5
50012858	3	ChEMBL_2074194 (CHEMBL4729728)	Inhibition of human Arg2 at pH 7.5
50012858	4	ChEMBL_2074195 (CHEMBL4729729)	Inhibition of human Arg1 by TOGA assay
50012858	5	ChEMBL_2074196 (CHEMBL4729730)	Inhibition of human Arg1 using L-arginine as substrate after 60 mins by spectrophotometric analysis
50012858	6	ChEMBL_2074197 (CHEMBL4729731)	Inhibition of human Arg2 using L-arginine as substrate after 60 mins by spectrophotometric analysis
50012858	7	ChEMBL_2074198 (CHEMBL4729732)	Inhibition of human Arg1
50012858	8	ChEMBL_2074199 (CHEMBL4729733)	Inhibition of human Arg2
50012858	11	ChEMBL_2074202 (CHEMBL4729736)	Inhibition of human Arg2 by TOGA assay
50012859	1	ChEMBL_2074204 (CHEMBL4729738)	Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate preincubated with enzyme for 2 mins followed by substrate addition and measured for 0-5 mins by FRET assay
50012860	1	ChEMBL_2074215 (CHEMBL4729749)	Inhibition of human full length recombinant tau-441 expressed in Escherichia coli assessed as inhibition of heparin-induced protein aggregation by measuring reduction in fluorescence intensity incubated for 72 hrs by Proteo-stat fluorescence aggregation assay
50012864	1	ChEMBL_2074227 (CHEMBL4729761)	Inhibition of human wild type FBPase expressed in Escherichia coli BL12 (DE3) by malachite green method
50012864	2	ChEMBL_2074228 (CHEMBL4729762)	Inhibition of wild type human FBPase
50012864	3	ChEMBL_2074230 (CHEMBL4729764)	Inhibition of human FBPase S124A mutant
50012864	4	ChEMBL_2074231 (CHEMBL4729765)	Inhibition of human FBPase N125A mutant
50012864	5	ChEMBL_2074232 (CHEMBL4729766)	Inhibition of human FBPase D127A mutant
50012864	6	ChEMBL_2074233 (CHEMBL4729767)	Inhibition of human FBPase R243A mutant
50012864	7	ChEMBL_2074235 (CHEMBL4729769)	Inhibition of human FBPase Y258A mutant
50012866	1	ChEMBL_2074244 (CHEMBL4729778)	Binding affinity to D2 receptor (unknown origin)
50012866	2	ChEMBL_2074245 (CHEMBL4729779)	Binding affinity to 5HT1A receptor (unknown origin)
50012866	3	ChEMBL_2074246 (CHEMBL4729780)	Binding affinity to 5HT2A receptor (unknown origin)
50012866	4	ChEMBL_2074247 (CHEMBL4729781)	Binding affinity to 5HT6 receptor (unknown origin)
50012866	5	ChEMBL_2074248 (CHEMBL4729782)	Binding affinity to alpha2 adrenergic receptor (unknown origin)
50012866	6	ChEMBL_2074249 (CHEMBL4729783)	Binding affinity to H1 receptor (unknown origin)
50012866	7	ChEMBL_2074250 (CHEMBL4729784)	Binding affinity to 5HT2C receptor (unknown origin)
50012866	8	ChEMBL_2074251 (CHEMBL4729785)	Binding affinity to alpha1 adrenergic receptor (unknown origin)
50012866	9	ChEMBL_2074272 (CHEMBL4729806)	Inhibition of human ERG by patch-clamp method
50012867	1	ChEMBL_2074276 (CHEMBL4729810)	Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed in Escherichia coli strain BL21(DE3) using bovine insulin as substrate preincubated for 1 hr followed by substrate addition
50012868	1	ChEMBL_2074320 (CHEMBL4729854)	Inhibition of recombinant rat SK2 expressed in HEK293 cells assessed as decrease in intracellular calcium level at membrane potential -120 mV for 50 ms followed by 400 ms voltage ramp to 60 mV by whole cell patch clamp method
50012868	2	ChEMBL_2074321 (CHEMBL4729855)	Inhibition of recombinant human SK3 expressed in HEK293T cells assessed as decrease in intracellular calcium level at membrane potential -120 mV for 50 ms followed by 400 ms voltage ramp to 60 mV by whole cell patch clamp method
50012868	3	ChEMBL_2074327 (CHEMBL4729861)	Inhibition of recombinant human SK3 expressed in HEK293T cells assessed as reduction in channel current with holding potential 0 mV and ramp voltage from -100 to 100 mV by whole cell patch clamp method
50012871	1	ChEMBL_2074424 (CHEMBL4729958)	Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity assay
50012871	2	ChEMBL_2074428 (CHEMBL4729962)	Inhibition of recombinant human CFD expressed in Escherichia coli incubated up to 2 hrs by TR-FRET assay
50012871	3	ChEMBL_2074429 (CHEMBL4729963)	Inhibition of human factor 11a by TR-FRET assay
50012873	1	ChEMBL_2074442 (CHEMBL4729976)	Inhibition of CD73 in human CD8+ T-cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and measured after 1 hr by LC-MS/MS analysis
50012873	2	ChEMBL_2074444 (CHEMBL4729978)	Inhibition of human C-terminal His6-tagged CD73 expressed in CHO cells preincubated for 15 mins followed by AMP addition and measured after 10 mins by malachite green reagent based assay
50012873	3	ChEMBL_2074445 (CHEMBL4729979)	Inhibition of CD73 in human NCI-H1568 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and measured after 1 hr by LC-MS/MS analysis
50012873	4	ChEMBL_2074449 (CHEMBL4729983)	Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and measured after 1 hr by LC-MS/MS analysis
50012873	5	ChEMBL_2074483 (CHEMBL4730017)	Inhibition of CYP3A4 (unknown origin)
50012873	6	ChEMBL_2074484 (CHEMBL4730018)	Inhibition of CYP2C8 (unknown origin)
50012873	7	ChEMBL_2074485 (CHEMBL4730019)	Inhibition of CYP2C9 (unknown origin)
50012874	1	ChEMBL_2074514 (CHEMBL4730048)	Agonist activity at human GPR40 expressed in CHO cells incubated for 60 mins by FLIPR based Ca2+ mobilization assay
50012874	2	ChEMBL_2074517 (CHEMBL4730051)	Binding affinity to human GPR40 expressed in CHO cells by LC-MS analysis
50012874	3	ChEMBL_2074524 (CHEMBL4730058)	Inhibition of human ERG
50012875	1	ChEMBL_2074574 (CHEMBL4730108)	Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hrs by FRET assay relative to control
50012875	2	ChEMBL_2074575 (CHEMBL4730109)	Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 4 hrs by Western blot analysis
50012875	3	ChEMBL_2074582 (CHEMBL4730116)	Inhibition of ATG7 in human 293HEK cells assessed as inhibition of ATG7:ATG8 thioester formation after 8 hrs by Western blot analysis
50012881	1	ChEMBL_2074587 (CHEMBL4730121)	Binding affinity to Cyclophilin A (unknown origin) by surface plasmon resonance analysis
50012884	1	ChEMBL_2074610 (CHEMBL4730144)	Inhibition of wild type EGFR (unknown origin) in presence of ATP preincubated 5 mins measured for 30 mins by detection reagent based HTRF analysis
50012884	2	ChEMBL_2074611 (CHEMBL4730145)	Inhibition of recombinant human EGFR T790M/L858R mutant expressed in baculovirus insect cell expression system in presence of ATP preincubated 5 mins measured for 30 mins by detection reagent based HTRF analysis
50012885	1	ChEMBL_2074678 (CHEMBL4730212)	Inhibition of wild type EGFR (unknown origin) using FAM-labelled peptide as substrate incubated for 10 mins in presence of ATP by Kinase Glo luminescence assay
50012885	2	ChEMBL_2074679 (CHEMBL4730213)	Inhibition of EGFR T790M mutant (unknown origin) using FAM-labelled peptide as substrate incubated for 10 mins fin presence of ATP by Kinase Glo luminescence assay
50012885	3	ChEMBL_2074680 (CHEMBL4730214)	Inhibition of EGFR T790M/L858R mutant (unknown origin) using FAM-labelled peptide as substrate incubated for 10 mins in presence of ATP by Kinase Glo luminescence assay
50012886	1	ChEMBL_2074713 (CHEMBL4730247)	Inhibition of ROCK2 (unknown origin) using C-terminus recombinant MBS (654-880 residues) as substrate incubated for 30 mins in presence of ATP by ELISA
50012887	1	ChEMBL_2074714 (CHEMBL4730248)	Displacement of fluormone from GST-tagged ERbeta receptor LBD (unknown origin) measured after 60 mins by TR-FRET competitive binding assay
50012887	6	ChEMBL_2074723 (CHEMBL4730257)	Displacement of [3H]-17beta-E2 from human ERbeta LBD by solid phase competitive radio ligand binding assay
50012888	1	ChEMBL_2074736 (CHEMBL4730270)	Displacement of [3H]CP55940 from human CB1R transfected in HEK293EBNA cell membranes incubated for 90 mins by Microbeta TriLux based luminescence analysis
50012888	2	ChEMBL_2074737 (CHEMBL4730271)	Displacement of [3H]CP55940 from human CB2R transfected in HEK293EBNA cell membrane incubated for 90 mins by Microbeta TriLux based luminescence analysis
50012890	1	ChEMBL_2074780 (CHEMBL4730314)	Displacement of FAM-labeled HIF-1alpha peptide from VCB (unknown origin) by fluorescence polarization assay
50012891	1	ChEMBL_2074784 (CHEMBL4730318)	Inhibition of vanin-1 (unknown origin)
50012891	2	ChEMBL_2074785 (CHEMBL4730319)	Inhibition of human vanin-1 in whole blood
50012894	1	ChEMBL_2074786 (CHEMBL4730320)	Displacement of FITC-WFYpSPFLE from human Pin1 (45-163) catalytic domain by fluorescence polarization assay
50012894	2	ChEMBL_2074787 (CHEMBL4730321)	Binding affinity to full length Pin 1 (unknown origin) by isothermal titration calorimetry method
50012896	1	ChEMBL_2074896 (CHEMBL4730430)	Binding affinity to recombinant human galectin 3 assessed as dissociation constant by fluorescent anisotropy assay
50012896	2	ChEMBL_2074897 (CHEMBL4730431)	Binding affinity to recombinant human galectin 1 assessed as dissociation constant by fluorescent anisotropy assay
50012896	3	ChEMBL_2074898 (CHEMBL4730432)	Binding affinity to recombinant human galectin 3 assessed as dissociation constant by SPR assay
50012897	1	ChEMBL_2074914 (CHEMBL4730448)	Potentiation of human CFTR F508 deletion mutant expressed in rat FRT cells coexpressing HS-YFP assessed as increase in iodide influx pre-incubated for 15 to 30 mins in presence of forskolin by fluorescent method
50012899	1	ChEMBL_2074956 (CHEMBL4730490)	Agonist activity at human BLT2 isoform 2 expressed in CHO-K1 cells over-expressing GNA14 assessed as stimulation of IP-1 accumulation incubated for 90 mins by IP-one assay
50012904	1	ChEMBL_2074965 (CHEMBL4730499)	Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay
50012905	1	ChEMBL_2074989 (CHEMBL4730523)	Inhibition of human sEH (1 to 555 residues) expressed in Escherichia coli BL21-(DE3) using PHOME substrate incubated for 30 to 45 mins by fluorescence based assay
50012905	2	ChEMBL_2074990 (CHEMBL4730524)	Inhibition of 5-LOX (unknown origin) expressed in Escherichia coli BL21-(DE3) pre-incubated for 15 mins before AA substrate addition and measured after 10 mins by HPLC/UV assay
50012905	3	ChEMBL_2074995 (CHEMBL4730529)	Inhibition of 5-LOX in human PMNL assessed as reduction in 5-HETE and LTB4 formation pre-incubated for 15 mins before addition of AA and A23187 and measured after 10 mins by HPLC/UV assay
50012906	1	ChEMBL_2075019 (CHEMBL4730553)	Binding affinity to DYRK1A (unknown origin)
50012907	1	ChEMBL_2075027 (CHEMBL4730561)	Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insect cells using poly (Glu, Tyr) 4:1 peptide as substrate incubated for 40 mins in presence of 10 uM ATP by ADP-Glo luminescence assay
50012907	2	ChEMBL_2075028 (CHEMBL4730562)	Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF stimulated phosphorylation after 1 hr by immunoblotting analysis
50012908	1	ChEMBL_2075063 (CHEMBL4730597)	Inhibition of His6-tagged human RORgammat LBD expressed in Escherichia coli BL21(DE3) cells after 16 hrs by HTRF assay
50012908	2	ChEMBL_2075064 (CHEMBL4730598)	Inhibition of RORgammat in human PBMC by IL17A assay
50012908	3	ChEMBL_2075065 (CHEMBL4730599)	Positive allosteric modulatory activity at C-terminal GFP-tagged human CB1R expressed in HEK293 cell membrane after 90 mins in presence of [3H]CP55940/[3H]SR141716A by liquid scintillation counting assay
50012910	1	ChEMBL_2075066 (CHEMBL4730600)	Inhibition of CDK1/cyclinB (unknown origin)
50012910	2	ChEMBL_2075067 (CHEMBL4730601)	Inhibition of CDK2/cyclinA (unknown origin)
50012910	3	ChEMBL_2075068 (CHEMBL4730602)	Inhibition of CDK2/cyclinE (unknown origin)
50012910	4	ChEMBL_2075069 (CHEMBL4730603)	Inhibition of CDK3/cyclinE (unknown origin)
50012910	5	ChEMBL_2075070 (CHEMBL4730604)	Inhibition of CDK4/cyclinD (unknown origin)
50012910	6	ChEMBL_2075071 (CHEMBL4730605)	Inhibition of CDK5/p35 (unknown origin)
50012910	7	ChEMBL_2075072 (CHEMBL4730606)	Inhibition of CDK5/p25 (unknown origin)
50012910	8	ChEMBL_2075074 (CHEMBL4730608)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin)
50012910	9	ChEMBL_2075075 (CHEMBL4730609)	Inhibition of CDK9/cyclinT1 (unknown origin)
50012911	1	ChEMBL_2075077 (CHEMBL4730611)	Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay
50012911	2	ChEMBL_2075079 (CHEMBL4730613)	Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) F-Bak(GQVGRQLAIIGDK(6-FAM)INR-amide) binding to BCL2 (unknown origin) incubated for 1 hr by TR-FRET assay
50012912	1	ChEMBL_2075101 (CHEMBL4730635)	Inhibition of ovine COX-1 assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured after 30 sec by thin layer chromatography assay
50012912	2	ChEMBL_2075102 (CHEMBL4730636)	Inhibition of murine COX-2 assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 20 mins followed by substrate addition measured after 30 sec by thin layer chromatography assay
50012912	3	ChEMBL_2075103 (CHEMBL4730637)	Inhibition of COX-1 in human OVCAR3 cells assessed as [14C] arachidonic acid remaining using [14C] arachidonic acid as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins
50012913	1	ChEMBL_2075115 (CHEMBL4730649)	Inhibition of recombinant human C-terminal His-tagged N-terminal GST-tagged PDE4B2 expressed in baculovirus infected Sf9 cells by radioligand binding assay
50012913	2	ChEMBL_2075116 (CHEMBL4730650)	Inhibition of recombinant human N-terminal GST-tagged PDE4D3 expressed in baculovirus infected Sf9 cells by radioligand binding assay
50012913	3	ChEMBL_2075184 (CHEMBL4730718)	Inhibition of 5HT2C (unknown origin)
50012913	4	ChEMBL_2075185 (CHEMBL4730719)	Inhibition of sigma2 receptor (unknown origin)
50012914	1	ChEMBL_2075208 (CHEMBL4730742)	Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus expression system using TK1 as substrate incubated for 60 mins by HTRF assay
50012914	2	ChEMBL_2075214 (CHEMBL4730748)	Inhibition of human liver microsome CYP2D6 using dextromethorphan as substrate preincubated for 10 mins followed by substrate and NADPH addition and measured after 10 mins by LC-MS/MS analysis
50012914	3	ChEMBL_2075215 (CHEMBL4730749)	Inhibition of human liver microsome CYP2C19 using S-mephenytoin as substrate preincubated for 10 mins followed by substrate and NADPH addition and measured after 10 mins by LC-MS/MS analysis
50012914	4	ChEMBL_2075216 (CHEMBL4730750)	Inhibition of human liver microsome CYP1A2 using phenacetin as substrate preincubated for 10 mins followed by substrate and NADPH addition and measured after 10 mins by LC-MS/MS analysis
50012914	5	ChEMBL_2075217 (CHEMBL4730751)	Inhibition of human liver microsome CYP2C9 using diclofenac as substrate preincubated for 10 mins followed by substrate and NADPH addition and measured after 10 mins by LC-MS/MS analysis
50012914	6	ChEMBL_2075218 (CHEMBL4730752)	Inhibition of human liver microsome CYP3A4 using midazolam as substrate preincubated for 10 mins followed by substrate and NADPH addition and measured after 10 mins by LC-MS/MS analysis
50012914	7	ChEMBL_2075219 (CHEMBL4730753)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by patch clamp method
50012915	1	ChEMBL_2075256 (CHEMBL4730790)	Inhibition of ovine COX1 using [1-14C]AA as substrate preincubated for 20 mins followed by substrate addition and measured for 30 sec by thin layer chromatography analysis
50012915	2	ChEMBL_2075257 (CHEMBL4730791)	Inhibition of mouse COX2 using [1-14C]AA as substrate preincubated for 20 mins followed by substrate addition and measured for 30 sec by thin layer chromatography analysis
50012915	3	ChEMBL_2075258 (CHEMBL4730792)	Inhibition of mouse COX2 using arachidonic acid as substrate preincubated for 3 mins followed by substrate addition and measured for 30 sec by LC/MS analysis
50012915	4	ChEMBL_2075259 (CHEMBL4730793)	Inhibition of mouse COX2 using 2-arachidonylglycerol as substrate preincubated for 3 mins followed by substrate addition and measured for 30 sec by LC/MS analysis
50012915	5	ChEMBL_2075260 (CHEMBL4730794)	Inhibition of mouse COX2 using arachidonic acid and 2-arachidonylglycerol as substrate preincubated for 5 mins followed by substrate addition and measured after 10 sec by LC/MS analysis
50012916	1	ChEMBL_2075262 (CHEMBL4730796)	Inhibition of human recombinant N-terminal GST-tagged SIRT1 (193 to 741 residues) expressed in Escherichia coli using Ac-Gln-Pro-Lys-Lys(Ac)-AMC (oxo-10) as substrate by fluorescence assay
50012916	2	ChEMBL_2075263 (CHEMBL4730797)	Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-Gln-Pro-Lys-Lys(pro)-AMC (oxo-11) as substrate by fluorescence assay
50012916	3	ChEMBL_2075278 (CHEMBL4730812)	Inhibition of human recombinant SIRT1 expressed in Escherichia coli in presence of acyl peptide acetyl-H3K9 as substrate incubated for 5 mins by HPLC analysis
50012918	1	ChEMBL_2075294 (CHEMBL4730828)	Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method
50012918	2	ChEMBL_2075295 (CHEMBL4730829)	Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method
50012918	3	ChEMBL_2075296 (CHEMBL4730830)	Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discovery (MSD) assay
50012918	4	ChEMBL_2075297 (CHEMBL4730831)	Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discovery (MSD) assay
50012919	1	ChEMBL_2075370 (CHEMBL4730904)	Binding affinity to NF-kappaB RelA (unknown origin) by SPR analysis
50012919	2	ChEMBL_2075371 (CHEMBL4730905)	Binding affinity to NF-kappaB p50 (unknown origin) by SPR analysis
50012920	1	ChEMBL_2075455 (CHEMBL4730989)	Inhibition of BRD4 in human HEL cells harboring JAK2 V617F mutant assessed as decrease in metabolic activity measured after 72 hrs by MTT assay
50012920	2	ChEMBL_2075456 (CHEMBL4730990)	Inhibition of BRD4 in human MOLM-14 cells harboring FLT3-ITD mutant assessed as decrease in metabolic activity measured after 72 hrs by MTT assay
50012922	1	ChEMBL_2075489 (CHEMBL4731023)	Binding affinity to human A3AR assessed as inhibitor constant
50012922	2	ChEMBL_2075490 (CHEMBL4731024)	Displacement of [3H]N6-R-phenylisopropyladenosine from human A1AR receptor expressed in HEK293 cells assessed as inhibitory constant by radio ligand binding assay
50012922	3	ChEMBL_2075492 (CHEMBL4731026)	Displacement of [125I]AB-MECA from recombinant mouse A1AR expressed in HEK293 cells assessed as inhibitory constant by radio ligand binding assay
50012922	4	ChEMBL_2075494 (CHEMBL4731028)	Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from human A2A receptor expressed in HEK293 cells assessed as inhibitor constant by radio ligand binding assay
50012922	5	ChEMBL_2075496 (CHEMBL4731030)	Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adrenergic A3 receptor expressed in CHO cell membranes assessed as inhibitor constant by radio ligand binding assay
50012922	6	ChEMBL_2075497 (CHEMBL4731031)	Displacement of [125I]AB-MECA from mouse adrenergic A3 receptor expressed in HEK293 cell membranes assessed as inhibitor constant by radio ligand binding assay
50012922	7	ChEMBL_2075499 (CHEMBL4731033)	Displacement of [3H]-LSD from recombinant human 5HT2B receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50012922	8	ChEMBL_2075501 (CHEMBL4731035)	Displacement of [3H]-Win35428 from human recombinant DAT receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method
50012924	1	ChEMBL_2075507 (CHEMBL4731041)	Agonist activity at mouse MC1R by alphascreen cAMP assay
50012924	2	ChEMBL_2075509 (CHEMBL4731043)	Agonist activity at mouse MC3R by alphascreen cAMP assay
50012924	3	ChEMBL_2075512 (CHEMBL4731046)	Agonist activity at mouse MC4R by alphascreen cAMP assay
50012924	4	ChEMBL_2075514 (CHEMBL4731048)	Agonist activity at mouse MC5R by alphascreen cAMP assay
50012925	1	ChEMBL_2075518 (CHEMBL4731052)	Binding affinity pig brain GABA-AT assessed as inactivation constant using GABA as substrate in presence of NADP+ and alpha-ketoglutarate by SSDH coupled enzyme based UV-Vis spectrophotometry
50012925	2	ChEMBL_2075537 (CHEMBL4731071)	Binding affinity to ornithine aminotransferase (unknown origin) assessed as inhibition constant by SSDH coupled enzyme based UV-Vis spectrophotometry
50012926	1	ChEMBL_2075545 (CHEMBL4731079)	Displacement of [3H]spiperone from human D2L receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation analysis
50012926	2	ChEMBL_2075546 (CHEMBL4731080)	Displacement of [3H]spiperone from human D3 receptor expressed in CHOK1 cell membranes after 60 mins by liquid scintillation analysis
50012926	3	ChEMBL_2075547 (CHEMBL4731081)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from human D2L receptor expressed in HEK293 cells after 90 mins by microbeta counting based assay
50012926	4	ChEMBL_2075548 (CHEMBL4731082)	Displacement of [3H]-(R)-(+)-7-OH-DPAT from human D3 receptor expressed in HEK293 cells after 90 mins by microbeta counting based assay
50012926	5	ChEMBL_2075549 (CHEMBL4731083)	Displacement of [3H]-SCH23390 from human D1 receptor expressed in HEK293 cells after 60 mins by microbeta counting based assay
50012926	6	ChEMBL_2075551 (CHEMBL4731085)	Displacement of [3H]-DAMGO from human MOR expressed in HEK293 cells after 60 mins by microbeta counting based assay
50012927	1	ChEMBL_2075553 (CHEMBL4731087)	Inhibition of HIV1 protease by fluorescence based assay
50012930	1	ChEMBL_2075580 (CHEMBL4731114)	Inhibition of Desulfovibrio desulfuricans (strain G20) CutC assessed as reduction in TMA by spectrophotometry
50012931	1	ChEMBL_2075593 (CHEMBL4731127)	Binding affinity to wild type KRAS (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assay
50012931	2	ChEMBL_2075595 (CHEMBL4731129)	Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assay
50012931	3	ChEMBL_2075604 (CHEMBL4731138)	Binding affinity to KRAS G12D mutant (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50012931	4	ChEMBL_2075611 (CHEMBL4731145)	Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in presence of Tween20 by fluorescence polarization assay
50012934	1	ChEMBL_2075629 (CHEMBL4731163)	Binding affinity to human OXIR
50012934	2	ChEMBL_2075630 (CHEMBL4731164)	Binding affinity to human OX2R
50012935	1	ChEMBL_2075683 (CHEMBL4731217)	Inhibition of UGT2B17 (unknown origin)
50012935	2	ChEMBL_2075685 (CHEMBL4731219)	Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis
50012935	3	ChEMBL_2075686 (CHEMBL4731220)	Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis
50012935	4	ChEMBL_2075687 (CHEMBL4731221)	Inhibition of UGT1A1 (unknown origin)
50012935	5	ChEMBL_2075688 (CHEMBL4731222)	Inhibition of UGT1A6 (unknown origin)
50012935	6	ChEMBL_2075689 (CHEMBL4731223)	Inhibition of UGT2B7 (unknown origin)
50012935	7	ChEMBL_2075690 (CHEMBL4731224)	Inhibition of UGT2B15 (unknown origin)
50012935	8	ChEMBL_2075739 (CHEMBL4731273)	Inhibition of mouse UGT8 assessed as redcution in SFT accumulation
50012935	9	ChEMBL_2075740 (CHEMBL4731274)	Inhibition of mouse UGT8 assessed as redcution in GalCer accumulation
50012937	1	ChEMBL_2075742 (CHEMBL4731276)	Inhibition of URAT1 in human RPTEC assessed as inhibition of [14C]uric acid uptake preincubated for 15 mins followed by [14C]uric acid addition and incubated under shaking condition for 2 hrs by scintillation counter method
50012937	2	ChEMBL_2075748 (CHEMBL4731282)	Inhibition of CYP2C9 (unknown origin)
50012937	3	ChEMBL_2075749 (CHEMBL4731283)	Inhibition of human URAT1 expressed in Xenopus laevis oocytes assessed as inhibition of [14C]uric acid uptake measured after 60 mins by liquid scintillation counter method
50012937	4	ChEMBL_2075759 (CHEMBL4731293)	Inhibition of URAT1 (unknown origin) transfected in dog MDCK cells assessed as inhibition of [14C]uric acid uptake by liquid scintillation counting method
50012938	1	ChEMBL_2075765 (CHEMBL4731299)	Agonist activity at Prolink1-tagged human GPR18 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase based topcount luminescence analysis
50012938	2	ChEMBL_2075768 (CHEMBL4731302)	Antagonist activity at Prolink1-tagged human GPR18 receptor expressed in CHO cells assessed as inhibition of THC-induced beta arrestin recruitment after 90 mins by beta-galactosidase based topcount luminescence analysis
50012938	3	ChEMBL_2075770 (CHEMBL4731304)	Agonist activity at Prolink1-tagged human GPR55 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase based topcount luminescence analysis
50012938	4	ChEMBL_2075772 (CHEMBL4731306)	Antagonist activity at Prolink1-tagged human GPR55 receptor expressed in CHO cells assessed as inhibition of lysophosphatidylinositol-induced beta arrestin recruitment after 90 mins by beta-galactosidase based topcount luminescence analysis
50012938	5	ChEMBL_2075777 (CHEMBL4731311)	Agonist activity at Prolink1-tagged human GPR18 receptor expressed in CHO cells assessed as induction of beta-arrestin recruitment by measuring 2-(3-(6-(4-chlorophenoxy)hexyloxy)benzylidene)-6,7-dihydro-2H-imidazo[2,1-b][1,3]thiazin-3(5H)-one IC50 at 1 uM after 90 mins by beta-galactosidase based topcount luminescence analysis
50012939	1	ChEMBL_2075783 (CHEMBL4731317)	Displacement of fluorescent probe SLFb-2PEG-TAMRA from N-terminal 6His-SUMO-tagged human full length FKBP12 expressed in Escherichia coli BL21 (DE3) cells measured after 1 hr by fluorescence polarisation assay
50012939	2	ChEMBL_2075792 (CHEMBL4731326)	Displacement of fluorescent tracer Rap-Gly-BDP from nanoluciferse-tagged human FKBP12 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50012941	1	ChEMBL_2075804 (CHEMBL4731338)	Modulation of AR in human LNCAP cells transfected with PSA reporter gene assessed as inhibition of R1881-induced PSA luciferase activity pretreated for 1 hr followed by R1881 addition and measured after 24 hrs by luciferase assay
50012943	1	ChEMBL_2075809 (CHEMBL4731343)	Inhibition of DHODH (unknown origin) using L-dihydroorotic acid as substrate preincubated for 30 mins followed by substrate addition measured every 10 mins in presence of decylubiquinone by DCIP dye based coupled enzyme assay
50012945	1	ChEMBL_2075810 (CHEMBL4731344)	Inhibition of recombinant human autotaxin assessed as reduction in LPA production using LPC as substrate after 2 hrs by Rapidfire-MS analysis
50012945	2	ChEMBL_2075811 (CHEMBL4731345)	Inhibition of ATX in human whole blood assessed as reduction in LPA level after 1 hr by rapidFire based MS/MS analysis
50012946	1	ChEMBL_2075813 (CHEMBL4731347)	Inhibition of human gamma secretase assessed as reduction in Abeta42 production
50012947	1	ChEMBL_2075814 (CHEMBL4731348)	Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 15 mins followed by ATP addition and measured after 15 mins by ADP-Glo kinase assay
50012948	1	ChEMBL_2075819 (CHEMBL4731353)	Agonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as increase in intracellular Ca2+ mobilization by measuring IP3 production incubated for 2 hrs by IP-one detection reagent based fluorescence assay
50012949	1	ChEMBL_2075821 (CHEMBL4731355)	Inhibition of VMAT2 in rat brain
50012951	1	ChEMBL_2075853 (CHEMBL4731387)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 5 hrs by One-Glo luciferase assay
50012951	2	ChEMBL_2075854 (CHEMBL4731388)	Agonist activity at human delta opioid receptor assessed as inhibition of forskolin-induced cAMP accumulation
50012951	3	ChEMBL_2075855 (CHEMBL4731389)	Agonist activity at human mu opioid receptor assessed as inhibition of forskolin-induced cAMP accumulation
50012951	4	ChEMBL_2075859 (CHEMBL4731393)	Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	5	ChEMBL_2075860 (CHEMBL4731394)	Inhibition of CYP2C9 in human pooled liver microsomes using tolbutamide as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	6	ChEMBL_2075861 (CHEMBL4731395)	Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	7	ChEMBL_2075862 (CHEMBL4731396)	Inhibition of CYP3A4 in human pooled liver microsomes using midazolam as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	8	ChEMBL_2075863 (CHEMBL4731397)	Inhibition of CYP3A4 in human pooled liver microsomes using testosterone as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	9	ChEMBL_2075864 (CHEMBL4731398)	Inhibition of CYP2C19 in human pooled liver microsomes using S-mephenytoin as substrate measured up to 20 mins by UHPLC-MS/MS analysis
50012951	10	ChEMBL_2075865 (CHEMBL4731399)	Inhibition of human ERG
50012952	1	ChEMBL_2075889 (CHEMBL4731423)	Inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate incubated for 10 mins followed by ATP addition and measured after 30 mins in presence of 10 uM ATP by HTRF assay
50012952	2	ChEMBL_2075890 (CHEMBL4731424)	Inhibition of human mTOR using 4EBP1 as substrate after 120 mins by [gamma-33P]-ATP assay
50012952	3	ChEMBL_2075903 (CHEMBL4731437)	Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate in presence of ATP by luciferase-luciferin-coupled chemiluminescence assay
50012952	4	ChEMBL_2075904 (CHEMBL4731438)	Inhibition of mTOR (unknown origin)
50012952	5	ChEMBL_2075905 (CHEMBL4731439)	Inhibition of PI3Kalpha (unknown origin)
50012953	1	ChEMBL_2075918 (CHEMBL4731452)	Inhibition of BRD4 bromodomain1 (unknown origin) using peptide histone H4 (SGRGACKGGACKGLGAC-KGGAACKRHGSGSK-biotin) as substrate incubated for 15 mins followed by substrate addition measured after 1 hr by alphascreen assay
50012953	2	ChEMBL_2075940 (CHEMBL4731474)	Inhibition of BRD4 (44 to 168 aa) (unknown origin) preincubated for 15 mins followed by substrate addition measured after 60 mins
50012954	1	ChEMBL_2075952 (CHEMBL4731486)	Inhibition of JAK3 in mouse BaF3 cells assessed as reduction in cell viability by MTT assay
50012954	2	ChEMBL_2075953 (CHEMBL4731487)	Inhibition of JAK3 in mouse BaF3 cells assessed as reduction in cell viability in presence of 0.1 mM H2O2 by MTT assay
50012955	1	ChEMBL_2075990 (CHEMBL4731524)	Positive allosteric modulator activity at human alpha1beta2S GABA-A receptor expressed in Xenopus laevis oocytes assessed as change in GABA EC50 at 40 uM by two electrode voltage-clamp assay
50012955	2	ChEMBL_2075992 (CHEMBL4731526)	Positive allosteric modulator activity at human alpha1beta2Sgamma2S GABA-A receptor expressed in Xenopus laevis oocytes in presence of EC5 GABA by two electrode voltage-clamp assay
50012958	1	ChEMBL_2075999 (CHEMBL4731533)	Inhibition of rat EAAT4 transfected in human tsA201 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 4 mins by TopCount scintillation counting analysis
50012958	2	ChEMBL_2076002 (CHEMBL4731536)	Inhibition of human EAAT1 transfected in HEK293 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 4 mins by TopCount scintillation counting analysis
50012958	3	ChEMBL_2076003 (CHEMBL4731537)	Inhibition of human EAAT2 transfected in HEK293 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 4 mins by TopCount scintillation counting analysis
50012958	4	ChEMBL_2076004 (CHEMBL4731538)	Inhibition of human EAAT3 transfected in HEK293 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 4 mins by TopCount scintillation counting analysis
50012958	5	ChEMBL_2076005 (CHEMBL4731539)	Inhibition of human EAAT1 transfected in mouse C17.2 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 5 mins by liquid scintillation counting analysis
50012958	6	ChEMBL_2076006 (CHEMBL4731540)	Inhibition of human EAAT2 transfected in mouse C17.2 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 5 mins by liquid scintillation counting analysis
50012958	7	ChEMBL_2076007 (CHEMBL4731541)	Inhibition of human EAAT3 transfected in mouse C17.2 cells assessed as inhibition of [3H]-D-aspartate uptake incubated for 5 mins by liquid scintillation counting analysis
50012961	1	ChEMBL_2076027 (CHEMBL4731561)	Inhibition of full-length human N-terminal FLAG-tagged PRMT5/full length N-terminal His6-tagged MEP50 (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction of S-adenosyl-L-homocysteine formation using human recombinant histone H2A (1 to 130 residues) and S-adenosyl-L-methionine as substrate after 60 mins by rapidfire mass spectrometry analysis
50012961	2	ChEMBL_2076028 (CHEMBL4731562)	Inhibition of PRMT5 in human A549 cells assessed as reduction in arginine dimethylation of SmD1/3 after 48 hrs by Hoechst Stain/ CellMask Deep Red Stain based immunohistochemistry method
50012961	3	ChEMBL_2076029 (CHEMBL4731563)	Binding affinity to N-terminal FLAG-tagged human PRMT5 (1 to 637 residues)/N-terminal thrombin His-tagged MEP50 (2 to 342 residues) expressed in baculovirus infected Sf21 cells by streptavidin coated sensor chip based surface plasmon resonance analysis
50012962	1	ChEMBL_2076054 (CHEMBL4731588)	Inhibition of IRAK4 (unknown origin) using methylcoumarin-labeled peptide as substrate in presence of ATP by FRET assay
50012962	2	ChEMBL_2076055 (CHEMBL4731589)	Inhibition of recombinant IRAK1 (unknown origin) by Invitrogen adapta assay
50012962	3	ChEMBL_2076056 (CHEMBL4731590)	Inhibition of wild-type human partial length YSK4 (T1019 to H1328 residues) expressed in mammalian expression system by Kinomescan method
50012962	4	ChEMBL_2076057 (CHEMBL4731591)	Inhibition of wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by Kinomescan method
50012962	5	ChEMBL_2076058 (CHEMBL4731592)	Inhibition of wild-type human partial length IRAK4 (M1 to S460 residues) expressed in mammalian expression system by Kinomescan method
50012962	6	ChEMBL_2076059 (CHEMBL4731593)	Inhibition of wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method
50012962	7	ChEMBL_2076060 (CHEMBL4731594)	Inhibition of wild-type human full length JNK2 (M1 to Q382 residues) expressed in mammalian expression system by Kinomescan method
50012962	8	ChEMBL_2076061 (CHEMBL4731595)	Inhibition of wild-type human partial length JNK3 (V28 to Q422 residues) expressed in mammalian expression system by Kinomescan method
50012963	1	ChEMBL_2076121 (CHEMBL4731655)	Inhibition of PI3K p120gamma (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate in presence of ATP incubated for 60 mins by ADP-Glo assay
50012963	2	ChEMBL_2076124 (CHEMBL4731658)	Inhibition of PI3Kgamma in human THP-1 cells assessed as reduction in Akt phosphorylation at S473 residue incubated for 60 mins measured after 120 mins by by alphalisa assay
50012963	3	ChEMBL_2076125 (CHEMBL4731659)	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate measured after 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50012963	4	ChEMBL_2076126 (CHEMBL4731660)	Inhibition of CYP2D6 (unknown origin) using diclofenac as substrate measured after 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50012963	5	ChEMBL_2076127 (CHEMBL4731661)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate measured after 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50012963	6	ChEMBL_2076128 (CHEMBL4731662)	Inhibition of CYP2C19 (unknown origin) using S-mephenytoin as substrate measured after 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50012963	7	ChEMBL_2076129 (CHEMBL4731663)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate measured after 5 to 20 mins in presence of NADPH by LC-MS/MS analysis
50012965	1	ChEMBL_2076136 (CHEMBL4731670)	Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method
50012965	2	ChEMBL_2076137 (CHEMBL4731671)	Inhibition of CD73 in human MDA-MB-231 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method
50012965	3	ChEMBL_2076138 (CHEMBL4731672)	Inhibition of recombinant rat CD73 expressed in Sf9 cells using [2,8-3H]-AMP as substrate incubated for 25 mins by scintillation counting method
50012966	1	ChEMBL_2076164 (CHEMBL4731698)	Inhibition of full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus expression system using ZMAL as substrate incubated for 90 mins by fluorescence assay
50012966	2	ChEMBL_2076165 (CHEMBL4731699)	Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using ZMAL as substrate incubated for 90 mins by fluorescence assay
50012966	3	ChEMBL_2076167 (CHEMBL4731701)	Inhibition of human recombinant HDAC8 expressed in Escherichia coli using Fluor de Lys substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50012968	1	ChEMBL_2076199 (CHEMBL4731733)	Inhibition of human carbonic anhydrase 2 incubated for 30 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
50012971	1	ChEMBL_2076203 (CHEMBL4731737)	Activation of recombinant SIRT6 (unknown origin) using fluoro substrate peptide incubated for 1 hr in presence of NAD by Fluor de Lys assay based fluorometric analysis
50012971	2	ChEMBL_2076206 (CHEMBL4731740)	Activation of N-terminal His-tagged human SIRT6 (1 to 355 residues) expressed in Escherichia coli M15(pREP4) assessed as increase in deacetylation activity using acetyl-H3K9 peptide as substrate incubated for 2 hrs in presence of NAD+ by mass spectrometric analysis
50012971	3	ChEMBL_2076210 (CHEMBL4731744)	Activation of wild type full length human SIRT6 expressed in Escherichia coli BL21(DE3) using RHKK-ac-AMC as substrate incubated for 2 hrs in presence of NAD+ by fluorescence assay
50012972	1	ChEMBL_2076219 (CHEMBL4731753)	Inhibition of human CA1 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012972	2	ChEMBL_2076220 (CHEMBL4731754)	Inhibition of human CA2 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50012973	1	ChEMBL_2076221 (CHEMBL4731755)	Inhibition of human SIRT1 deacetylation activity using H3K9Ac as substrate preincubated for 15 mins in presence of NAD+ followed by substrate addition by HPLC analysis
50012973	2	ChEMBL_2076222 (CHEMBL4731756)	Inhibition of human SIRT2 deacetylation activity using H3K9Ac as substrate preincubated for 15 mins in presence of NAD+ by HPLC analysis
50012973	3	ChEMBL_2076223 (CHEMBL4731757)	Inhibition of human SIRT2 deacetylation activity using H3K9Ac as substrate in presence of NAD+ by HPLC analysis
50012973	4	ChEMBL_2076224 (CHEMBL4731758)	Inhibition of human SIRT2 defatty-acylation activity using peptide substrate preincubated in presence of NAD+ followed by substrate addition by HPLC analysis
50012973	5	ChEMBL_2076225 (CHEMBL4731759)	Inhibition of human SIRT2 defatty-acylation activity using peptide substrate in presence of NAD+ by HPLC analysis
50012973	6	ChEMBL_2076226 (CHEMBL4731760)	Inhibition of human SIRT3 deacetylation activity using H3K9Ac as substrate preincubated for 15 mins in presence of NAD+ followed by substrate addition by HPLC analysis
50012973	7	ChEMBL_2076227 (CHEMBL4731761)	Inhibition of human SIRT5 deacetylation activity using H3K9Ac as substrate preincubated for 15 mins in presence of NAD+ followed by substrate addition by HPLC analysis
50012973	8	ChEMBL_2076228 (CHEMBL4731762)	Inhibition of human SIRT6 deacetylation activity using H3K9Ac as substrate preincubated for 15 mins in presence of NAD+ followed by substrate addition by HPLC analysis
50012974	1	ChEMBL_2076292 (CHEMBL4731826)	Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cells measured after 1.5 hrs by competitive-binding assay
50012974	2	ChEMBL_2076293 (CHEMBL4731827)	Agonist activity at mu opioid receptor (unknown origin) by [35S]-GTPgammaS binding assay
50012974	3	ChEMBL_2076295 (CHEMBL4731829)	Antagonist activity at human mu opioid receptor expressed in CHO cells co- expressing Gqi5 assessed as decrease in DAMGO-induced intracellular calcium mobilization incubated for 15 mins followed by DAMGO addition by Fluo-AM dye based fluorescence assay
50012974	4	ChEMBL_2076296 (CHEMBL4731830)	Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells measured after 90 mins
50012974	5	ChEMBL_2076297 (CHEMBL4731831)	Antagonist activity at CXCR4 (unknown origin) expressed in CHO cells assessed as reduction in SDF1-induced intracellular calcium mobilization incubated for 15 mins followed by SDF1 addition by Fluo-AM dye based fluorescence assay
50012974	6	ChEMBL_2076299 (CHEMBL4731833)	Inhibition of HIV1 3B reverse transcriptase infected in human GHOST CXCR4 cells assessed as reduction in viral replication incubated for 60 to 90 mins in presence of DTT and TTP by liquid scintillation counter
50012975	1	ChEMBL_2076310 (CHEMBL4731844)	Displacement of Eu-labeled H3B1-22R from RXFP3 (unknown origin) stably expressed in CHO-K1 cells by competition binding assay
50012975	2	ChEMBL_2076311 (CHEMBL4731845)	Agonist activity at RXFP3 (unknown origin) stably expressed in CHO-K1 cells co-transfected with pCRE assessed as inhibition of forskolin-induced cAMP accumulation measured after 6 hrs by beta-galactosidase reporter gene assay
50012975	3	ChEMBL_2076312 (CHEMBL4731846)	Agonist activity at RXFP4 (unknown origin) stably expressed in CHO cells co-transfected with pCRE assessed as inhibition of forskolin-induced cAMP accumulation measured after 6 hrs by beta-galactosidase reporter gene assay
50012979	1	ChEMBL_2076314 (CHEMBL4731848)	Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 15 mins followed by ATP addition and measured after 15 mins by ADP-Glo kinase assay
50012981	1	ChEMBL_2076334 (CHEMBL4731868)	Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by malachite green dye based spectrophotometry
50012981	2	ChEMBL_2076335 (CHEMBL4731869)	Inhibition of recombinant rat ecto-5' nucleotidase expressed in COS7 cell membranes assessed as inorganic phosphate release using AMP as substrate uM preincubated for 10 mins followed by substrate addition and measured after 20 mins by malachite green dye based spectrophotometry
50012981	3	ChEMBL_2076336 (CHEMBL4731870)	Inhibition of recombinant human ecto-5' nucleotidase expressed in COS7 cell membranes using AMP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by capillary electrophoresis method
50012984	1	ChEMBL_2076341 (CHEMBL4731875)	Modulation of human utrophinA expressed in mouse H2K-mdx utrnA-luc cells assessed as upregulation of utrophin production after 24 hrs by luciferase reporter gene assay
50012985	1	ChEMBL_2076354 (CHEMBL4731888)	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis
50012985	2	ChEMBL_2076360 (CHEMBL4731894)	Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method
50012985	3	ChEMBL_2076364 (CHEMBL4731898)	Inhibition of human ERG
50012987	1	ChEMBL_2076388 (CHEMBL4731922)	Inhibition of HDAC4 (unknown origin)
50012987	2	ChEMBL_2076389 (CHEMBL4731923)	Inhibition of human recombinant full length FLAG-tagged HDAC1 expressed in HEK293F cells using BML-KI104 as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	3	ChEMBL_2076390 (CHEMBL4731924)	Inhibition of human recombinant full length FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using BML-KI104 as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	4	ChEMBL_2076391 (CHEMBL4731925)	Inhibition of human recombinant full length FLAG-tagged HDAC3 expressed in HEK293F cells in using BML-KI104 as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	5	ChEMBL_2076392 (CHEMBL4731926)	Inhibition of human recombinant HDAC8 expressed in Escherichia coli using BML-KI178 as substrate and SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	6	ChEMBL_2076393 (CHEMBL4731927)	Inhibition of HDAC6 (unknown origin) using BML-KI104 as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	7	ChEMBL_2076394 (CHEMBL4731928)	Inhibition of human recombinant full length HDAC11 expressed in baculovirus expression system using Boc-Lys(TFA)-AMC as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	8	ChEMBL_2076395 (CHEMBL4731929)	Inhibition of HDAC10 (unknown origin)
50012987	9	ChEMBL_2076396 (CHEMBL4731930)	Inhibition of HDAC9 (unknown origin)
50012987	10	ChEMBL_2076397 (CHEMBL4731931)	Inhibition of HDAC7 (unknown origin)
50012987	11	ChEMBL_2076398 (CHEMBL4731932)	Inhibition of human recombinant full length N-terminal GST tagged HDAC5 expressed in sf9 insect cells using Boc-Lys(TFA)-AMC as substrate in presence of SAHA as inhibitor preincubated for 3 hrs followed by addition of substrate measured after 30 mins by fluorescence based assay
50012987	12	ChEMBL_2076400 (CHEMBL4731934)	Inhibition of class 1 HDAC in human Jurkat model of HIV latency assessed as reactivation of HIV latency incubated for 20 hrs in presence of SAHA and 5 % NHS by Steady-Glo luciferase assay
50012987	13	ChEMBL_2076406 (CHEMBL4731940)	Inhibition of human ERG
50012990	1	ChEMBL_2076446 (CHEMBL4731980)	Displacement of fluorescent labelled fluormone ES2 from human recombinant GST tagged ER alpha LBD ( 282 to 595 residues) expressed in baculovirus infected insect cells incubate for 20 mins measured after 1 hr by TR-FRET Lanthascreen assay
50012990	2	ChEMBL_2076447 (CHEMBL4731981)	Induction of ERalpha degradation in human MCF7 cells incubated for 18 to 22 hrs by immuno-fluorescence assay
50012993	1	ChEMBL_2076483 (CHEMBL4732274)	Inhibition of human tyrosinase assessed as reduction in L-dopaquinone-MBTH complex formation using L-DOPA as substrate measured for 10 mins by spectrophotometric analysis
50012994	1	ChEMBL_2076548 (CHEMBL4732339)	Inhibition of recombinant human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method
50012995	1	ChEMBL_2076640 (CHEMBL4732431)	Binding affinity to recombinant His6-tagged HSP90 C-domain (unknown origin) (553 to 732 residues) expressed in Escherichia coli BL21 (DE3) (DNAY) cells assessed as dissociation constant by 15N-1H TROSY-HSQC NMR spectroscopy
50012995	2	ChEMBL_2076642 (CHEMBL4732433)	Binding affinity to HSP90 C-terminal domain (unknown origin) by biochemical assay
50012996	1	ChEMBL_2076648 (CHEMBL4732439)	Inhibition of mTORC1 in human A2058 cells assessed as reduction in S6 ribosomal protein phosphorylation at Ser235/236 residues incubated for 1 hr by Western blot analysis
50012996	2	ChEMBL_2076649 (CHEMBL4732440)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant N-terminal His6-tagged p110alpha (unknown origin) by TR-FRET assay
50012996	3	ChEMBL_2076650 (CHEMBL4732441)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant N-terminal GST-fused mTOR (1360 to 2549 residues) (unknown origin) by TR-FRET assay
50012997	1	ChEMBL_2076657 (CHEMBL4732448)	Inhibition of IspE expressed in Escherichia coli incubated for 30 mins by microplate reader assay
50012998	1	ChEMBL_2076768 (CHEMBL4732559)	Inhibition of recombinant human PDE-4B expressed in Escherichia coli using cAMP as substrate incubated for 60 mins by PDE4 assay kit method
50013000	1	ChEMBL_2076804 (CHEMBL4732595)	Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay
50013001	1	ChEMBL_2076845 (CHEMBL4732636)	Inhibition of recombinant human DYKDDDD-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate incubated for 5 mins followed by ATP addition and measured after 10 mins by [gamma-32P]-ATP based scintillation counting method
50013001	2	ChEMBL_2076846 (CHEMBL4732637)	Inhibition of EGFR (unknown origin)
50013001	3	ChEMBL_2076852 (CHEMBL4732643)	Inhibition of recombinant human JAK2 JH1 domain expressed in baculovirus infected insect cells using poly-Glu-Tyr (51 to 68 residues) as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50013001	4	ChEMBL_2076853 (CHEMBL4732644)	Inhibition of human EGFR TK domain expressed in Escherichia coli BL21 (DE3) pLysS using poly-Glu-Tyr (51 to 68 residues) as substrate incubated for 1 hr by ADP-Glo assay
50013002	1	ChEMBL_2076903 (CHEMBL4732694)	Modulatory activity of gamma secretase in human H4 cells overexpressing human APP695 K595N/M596L mutant assessed as decrease in amyloidbeta42 levels at 24 hrs by Alphalisa method
50013003	1	ChEMBL_2076906 (CHEMBL4732697)	Inhibition of KRAS G12C mutant (unknown origin)
50013005	1	ChEMBL_2076912 (CHEMBL4732703)	Inhibition of fluorescently labelled tracer binding to human ERG by competitive binding assay
50013007	1	ChEMBL_2076927 (CHEMBL4732718)	Inhibition of Clostridium botulinum BoNT/A light chain
50013008	1	ChEMBL_2076986 (CHEMBL4732777)	Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 cell membrane incubated for 2 hrs by liquid scintillation counting method
50013008	2	ChEMBL_2076987 (CHEMBL4732778)	Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane incubated for 2 hrs by liquid scintillation counting method
50013008	3	ChEMBL_2076989 (CHEMBL4732780)	Inhibition of human AChE
50013008	4	ChEMBL_2076990 (CHEMBL4732781)	Inhibition of human BuChE
50013008	5	ChEMBL_2076991 (CHEMBL4732782)	Inhibition of human MAO-B
50013009	1	ChEMBL_2077146 (CHEMBL4732937)	Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells by competitive binding assay
50013009	2	ChEMBL_2077147 (CHEMBL4732938)	Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells by competitive binding assay
50013009	3	ChEMBL_2077148 (CHEMBL4732939)	Displacement of [3H]-CP55940 from human recombinant cannabinoid CB1 receptor expressed in HEK cells by Cheng-Prusoff analysis
50013009	4	ChEMBL_2077149 (CHEMBL4732940)	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as effect on intracellular calcium level by FLOU-4 dye based fluorescence spectrometry
50013009	5	ChEMBL_2077150 (CHEMBL4732941)	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as effect on intracellular calcium level by FLOU-4 dye based fluorescence spectrometry
50013009	6	ChEMBL_2077157 (CHEMBL4732948)	Inhibition of PMA-induced human skin fibroblast derived MMP1 by fluorometric assay
50013009	7	ChEMBL_2077158 (CHEMBL4732949)	Inhibition of TNF-induced MMP2 isolated from human HT-1080 cell medium by fluorometric assay
50013009	8	ChEMBL_2077159 (CHEMBL4732950)	Inhibition of human MMP3 by fluorometric assay
50013009	9	ChEMBL_2077160 (CHEMBL4732951)	Inhibition of human MMP7 by fluorometric assay
50013009	10	ChEMBL_2077178 (CHEMBL4732969)	Inhibition of HIV1 protease using H-Val-Ser-Gln-Am-(L-b-naphthyl-alanine)-Pro-Ile-Val-OH as substrate by HPLC method
50013009	11	ChEMBL_2077181 (CHEMBL4732972)	Inhibition of HIV1 protease
50013009	12	ChEMBL_2077182 (CHEMBL4732973)	Inhibition of gamma secretase in HEK293 cells assessed as reduction in amyloid beta40 level incubated for 4 hrs by electrochemiluminescence detection-based immunoassay
50013009	13	ChEMBL_2077183 (CHEMBL4732974)	Displacement of 125I-VCAM-Ig from VLA4 in human Jurkat cells incubated for 30 mins by scintillation counting method
50013009	14	ChEMBL_2077187 (CHEMBL4732978)	Inhibition of NEP 24.11 (unknown origin) by fluorometric assay
50013009	15	ChEMBL_2077191 (CHEMBL4732982)	Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in Saccharomyces cerevisiae membranes using AFC as substrate in presence of 14C-SAM incubated for 30 min by scintillation counting method
50013009	16	ChEMBL_2077196 (CHEMBL4732987)	Inhibition of HIV-1 protease
50013009	17	ChEMBL_2077197 (CHEMBL4732988)	Inhibition of [3H]-Deltorphin 2 binding to mouse delta opioid receptor expressed in rat GH3 cell membranes by Cheng-Prusoff analysis
50013009	18	ChEMBL_2077198 (CHEMBL4732989)	Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric-field induced measured after 5 mins
50013009	19	ChEMBL_2077204 (CHEMBL4732995)	Inhibition of [125]BH-CCK8 binding to guinea pig pancreas CCKAR by radioligand binding assay
50013009	20	ChEMBL_2077205 (CHEMBL4732996)	Agonist activity at CCKBR in human NCI-H345 cells assessed as calcium release
50013009	21	ChEMBL_2077207 (CHEMBL4732998)	Agonist activity at human delta opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by luminescence-based assay
50013009	22	ChEMBL_2077208 (CHEMBL4732999)	Agonist activity at human mu opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by luminescence-based assay
50013009	23	ChEMBL_2077209 (CHEMBL4733000)	Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by luminescence-based assay
50013009	24	ChEMBL_2077216 (CHEMBL4733007)	Inhibition of [3H]-Deltorphin 2 binding to mouse delta opioid receptor expressed in HEK293 cell membranes incubated for 60 mins by Cheng-Prusoff analysis
50013010	1	ChEMBL_2077302 (CHEMBL4733093)	Inhibition of human recombinant PDE10A using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	2	ChEMBL_2077303 (CHEMBL4733094)	Inhibition of human recombinant PDE4B using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	3	ChEMBL_2077304 (CHEMBL4733095)	Inhibition of human recombinant PDE7A using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	4	ChEMBL_2077305 (CHEMBL4733096)	Inhibition of human recombinant PDE1B using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	5	ChEMBL_2077319 (CHEMBL4733110)	Inhibition of human recombinant PDE2A using cGMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	6	ChEMBL_2077320 (CHEMBL4733111)	Inhibition of human recombinant PDE3A using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	7	ChEMBL_2077321 (CHEMBL4733112)	Inhibition of human recombinant PDE4D using cAMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013010	8	ChEMBL_2077322 (CHEMBL4733113)	Inhibition of human recombinant PDE5A using cGMP as substrate incubated for 20 mins measured by Kinase Glo reagent based microplate reader assay
50013012	1	ChEMBL_2077389 (CHEMBL4733180)	Activation of wild-type human STING expressed in HEK293T cells assessed as IRF3 reporter activation measured after 20 hrs by luciferase reporter gene assay
50013013	1	ChEMBL_2077485 (CHEMBL4733276)	Inhibition of DAT (unknown origin)
50013014	1	ChEMBL_2077524 (CHEMBL4733315)	Binding affinity to human CBP by isothermal titration calorimetry
50013014	2	ChEMBL_2077525 (CHEMBL4733316)	Binding affinity to human BRD4 bromodomain1 by isothermal titration calorimetry
50013014	3	ChEMBL_2077526 (CHEMBL4733317)	Binding affinity to human BRD4 bromodomain2 by isothermal titration calorimetry
50013014	4	ChEMBL_2077527 (CHEMBL4733318)	Inhibition of GST-tagged CBP bromodomain (1082 to 1197 residue) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using SGRG-K(Ac)-GG-K (Ac)-GLG-K (Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by HTRF assay
50013014	5	ChEMBL_2077530 (CHEMBL4733321)	Inhibition of His-tagged CBP bromodomain (unknown origin) using H2N-ALREIRRYQK(Ac)STELLIRKLK-(biotin)-COOH as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by alphaScreen assay
50013014	6	ChEMBL_2077532 (CHEMBL4733323)	Inhibition of His-FLAG-tagged CBP ( 1082 to 1197 residues) (unknown origin) using H4-tetraAc-biotin as substrate incubated for 20 mins by AlphaLISA assay
50013014	7	ChEMBL_2077533 (CHEMBL4733324)	Inhibition of NanoLuc tagged CBP bromodomain (unknown origin) expressed in HEK293 cells harboring Halo-tagged histone H3.3 by NanoBRET assay
50013014	8	ChEMBL_2077534 (CHEMBL4733325)	Binding affinity to human His-Tev tagged CBP expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetry
50013014	9	ChEMBL_2077535 (CHEMBL4733326)	Binding affinity to human His-Tev tagged EP300 expressed in bacterial expression system incubated for 30 mins by isothermal titration calorimetry
50013014	10	ChEMBL_2077536 (CHEMBL4733327)	Inhibition of human GST-tagged CBP BrD (1082 to 1197 residues) expressed in Escherichia coli BL21 (DE3) cells using N-C: SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(biotin) as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by TR-FRET assay
50013014	11	ChEMBL_2077541 (CHEMBL4733332)	Inhibition of N-terminal His-tagged p300 HAT (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli using biotinylated H3(1-21) peptide as substrate preincubated for 30 mins followed by biotinylated H3(1-21) peptide addition in presence of AcCoA and measured after 1 hr by scintillation counting method
50013014	12	ChEMBL_2077542 (CHEMBL4733333)	Inhibition of N-terminal His/GST-tagged human p300 HAT (965 to 1810 residues) expressed in Sf9 insect cells using H3 peptide as substrate in presence of Ac-CoA measured after 60 mins
50013014	13	ChEMBL_2077543 (CHEMBL4733334)	Inhibition of recombinant human N-terminal His-tagged PCAF HAT domain (493 to 657 residues) expressed in Escherichia coli (BL21 D3) using histone H3 (1 to 21 residues) as substrate
50013014	14	ChEMBL_2077544 (CHEMBL4733335)	Inhibition of recombinant human C-terminal FLAG-tagged GCN5 HAT domain (362 to 837 residues) expressed in baculovirus infected Sf9 cells using histone H3 (1 to 21 residues) as substrate
50013014	15	ChEMBL_2077545 (CHEMBL4733336)	Inhibition of N-terminal GST-tagged human CBP HAT(1319 to 1710 residues) expressed in Escherichia coli using histone H3 (1 to 21 residues) as substrate
50013014	16	ChEMBL_2077546 (CHEMBL4733337)	Inhibition of N-terminal His-tagged human p300 HAT (1319 to 1710 residues) expressed in Escherichia coli using histone H3 (1 to 21 residues) as substrate
50013014	17	ChEMBL_2077548 (CHEMBL4733339)	Inhibition of human P300 (1284 to1673 residues) catalytic domain using histone H3 and [acetyl-3H]-acetylcoenzyme A as substrate incubated for 1 hr by liquid scintillation counting method
50013014	18	ChEMBL_2077549 (CHEMBL4733340)	Inhibition of P300 catalytic domain (unknown origin) using histone H3 and [acetyl-3H]-acetylcoenzyme A as substrate preincubated for 15 mins followed by histone H3 addition and measured after 30 mins by fluorescence method
50013014	19	ChEMBL_2077551 (CHEMBL4733342)	Inhibition of N-terminal GST-fused human P300 (1284 to1673 residues) catalytic domain expressed in sf9 insect cells using histone H3 and [acetyl-3H]-acetylcoenzyme A as substrate
50013016	1	ChEMBL_2077554 (CHEMBL4733345)	Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate incubated for 30 mins by microplate reader assay
50013016	2	ChEMBL_2077555 (CHEMBL4733346)	Inhibition of MAGL in human U937 cells assessed as reduction in [3H]glycerol formation using [1,2,3-3H]2-OG as substrate incubated for 15 mins by liquid scintillation spectroscopy
50013016	3	ChEMBL_2077558 (CHEMBL4733349)	Inhibition of human ABHD6 expressed in HEK293 cells using [3H]2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy
50013016	4	ChEMBL_2077559 (CHEMBL4733350)	Inhibition of human ABHD12 expressed in HEK293 cells using [3H]2-OG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by liquid scintillation spectroscopy
50013016	5	ChEMBL_2077560 (CHEMBL4733351)	Inhibition of FAAH in human U937 cells assessed as reduction in [3H]ethanolamine formation using [ethanolamine-1-3H]AEA as substrate incubated for 15 mins by liquid scintillation spectroscopy
50013016	6	ChEMBL_2077573 (CHEMBL4733364)	Competitive inhibition of human recombinant MAGL using varying concentration of 4-nitrophenylacetate as substrate incubated for 30 mins by microplate reader assay
50013016	7	ChEMBL_2077574 (CHEMBL4733365)	Displacement of [3H]CP55940 from human CB1 receptor incubated for 90 mins by radioligand binding assay
50013016	8	ChEMBL_2077575 (CHEMBL4733366)	Displacement of [3H]CP55940 from human CB2 receptor incubated for 90 mins by radioligand binding assay
50013017	1	ChEMBL_2077592 (CHEMBL4733383)	Agonist activity at human FXR expressed in HEK293T cells co-transfected with BSEP plasmid assessed as receptor transactivation after 24 hrs by BSEP-luciferase reporter gene assay
50013020	1	ChEMBL_2077638 (CHEMBL4733429)	Displacement of [125I]-RHM-4 from sigma 2 receptor in rat liver membranes after 120 mins by microbeta scintillation counting method
50013020	2	ChEMBL_2077639 (CHEMBL4733430)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by microbeta scintillation counting method
50013023	1	ChEMBL_2077649 (CHEMBL4733440)	Inhibition of human PAR4 expressed in HEK293 cells assessed as Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-induced inhibition of calcium mobilization preincubated for 30 mins followed by Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly stimulation by FLIPR method
50013023	2	ChEMBL_2077650 (CHEMBL4733441)	Antagonist activity at PAR4 in human platelet-rich plasma assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins followed by gamma-thrombin stimulation
50013023	3	ChEMBL_2077652 (CHEMBL4733443)	Antagonist activity at PAR4 in human whole blood assessed as inhibition of Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-induced platelet aggregation preincubated for 10 mins followed by Ala-(L-4-F-Phe)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly stimulation
50013023	4	ChEMBL_2077653 (CHEMBL4733444)	Inhibition of PAR1 in human whole blood assessed as inhibition of PAR1 AP (Ala-Phe (4fluro) Arg-Cha-homo Arg-Tyr-NH2)-induced platelet aggregation preincubated for 10 mins followed by PAR1 AP (Ala-Phe (4fluro) Arg-Cha-homo Arg-Tyr-NH2) stimulation
50013025	1	ChEMBL_2077674 (CHEMBL4733465)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013025	2	ChEMBL_2077675 (CHEMBL4733466)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013025	3	ChEMBL_2077676 (CHEMBL4733467)	Inhibition of recombinant human carbonic anhydrase 4 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013025	4	ChEMBL_2077677 (CHEMBL4733468)	Inhibition of recombinant human carbonic anhydrase 7 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013025	5	ChEMBL_2077678 (CHEMBL4733469)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013026	1	ChEMBL_2077731 (CHEMBL4733522)	Inhibition of IDO1 (unknown origin)
50013026	2	ChEMBL_2077732 (CHEMBL4733523)	Inhibition of HAT1 (unknown origin)
50013026	3	ChEMBL_2077733 (CHEMBL4733524)	Inhibition of JMJD6 (unknown origin)
50013027	1	ChEMBL_2077757 (CHEMBL4733548)	Inhibition of recombinant human CYP1B1 using 7-ethoxyresorufin as substrate after 35 mins in presence of NADP+ by EROD assay
50013027	2	ChEMBL_2077758 (CHEMBL4733549)	Inhibition of recombinant human CYP1A1 using 7-ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay
50013027	3	ChEMBL_2077759 (CHEMBL4733550)	Inhibition of recombinant human CYP1A2 using 7-ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay
50013032	1	ChEMBL_2077765 (CHEMBL4733556)	Binding affinity to recombinant FOXM1 DBD (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as disruption of FOXM1-DNA complex preincubated for 1.5 hrs followed by DNA addition measured after 20 mins by EMSA
50013039	1	ChEMBL_2077855 (CHEMBL4733646)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate measured after 10 mins by fluorometric based multimode microplate reader
50013039	2	ChEMBL_2077858 (CHEMBL4733649)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate measured after 10 mins by fluorometric based multimode microplate reader
50013043	1	ChEMBL_2077866 (CHEMBL4733657)	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50013043	2	ChEMBL_2077867 (CHEMBL4733658)	Inhibition of HDAC6 (unknown origin) by fluorescence based assay
50013043	3	ChEMBL_2077868 (CHEMBL4733659)	Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay
50013043	4	ChEMBL_2077869 (CHEMBL4733660)	Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay
50013043	5	ChEMBL_2077877 (CHEMBL4733668)	Inhibition of HDAC3 (unknown origin) by fluorescence based assay
50013043	6	ChEMBL_2077878 (CHEMBL4733669)	Inhibition of HDAC4 (unknown origin) by fluorescence based assay
50013043	7	ChEMBL_2077879 (CHEMBL4733670)	Inhibition of HDAC8 (unknown origin) by fluorescence based assay
50013043	8	ChEMBL_2077880 (CHEMBL4733671)	Inhibition of HDAC11 (unknown origin) by fluorescence based assay
50013044	1	ChEMBL_2077903 (CHEMBL4733694)	Inhibition of N-terminal His6-tagged recombinant human GSK3beta H350L mutant expressed in baculovirus infected Sf21 cells using GSM as substrate incubated for 30 mins in presence of ATP by Kinase-Glo luminescent assay
50013044	2	ChEMBL_2077905 (CHEMBL4733696)	Inhibition of GSK3beta (unknown origin)
50013045	1	ChEMBL_2077931 (CHEMBL4733722)	Binding affinity to recombinant human N-terminal truncated HSP90 (9 to 236 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant by biolayer interferometry assay
50013046	1	ChEMBL_2078040 (CHEMBL4733831)	Inhibition of human PI3Kalpha using PIP2 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013046	2	ChEMBL_2078044 (CHEMBL4733835)	Inhibition of human recombinant c-Raf Y340D/Y341D mutant (306 to end residues) using inactive MEK1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013046	3	ChEMBL_2078047 (CHEMBL4733838)	Inhibition of human PI3K p110beta/p85alpha using PIP2 as substrate incubated for 40 mins in presence of ATP measured after 40 mins by HTRF assay
50013046	4	ChEMBL_2078049 (CHEMBL4733840)	Inhibition of human PI3K p110delta/p85alpha using PIP2 as substrate in presence of ATP measured after 40 mins by HTRF assay
50013046	5	ChEMBL_2078095 (CHEMBL4733886)	Inhibition of human full length recombinant mTOR in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013046	6	ChEMBL_2078100 (CHEMBL4733891)	Inhibition of CYP450 (unknown origin)
50013046	7	ChEMBL_2078101 (CHEMBL4733892)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by patch clamp assay
50013047	1	ChEMBL_2078172 (CHEMBL4733963)	Inhibition of NAE (unknown origin)-mediated neddylation assessed as suppression of cullin1-Nedd8 adduct formation preincubated for 10 mins followed by ATP addition and measured after 30 mins by immunoblot analysis
50013048	1	ChEMBL_2078239 (CHEMBL4734030)	Agonist activity at bradykinin B2 receptor (unknown origin)
50013049	1	ChEMBL_2078241 (CHEMBL4734032)	Agonist activity at adrenergic alpha 2 receptor in human brain membrane assessed as stimulation of [35S]GTPgammaS binding in presence of adrenergic alpha 2 receptor antagonist RX821002 by liquid scintillation spectroscopy
50013049	2	ChEMBL_2078244 (CHEMBL4734035)	Antagonist activity at adrenergic alpha 2 receptor in human brain membrane assessed as inhibition of UK14304-induced stimulation of [35S]GTPgammaS binding by liquid scintillation spectroscopy (Rvb = 1.77 +/- 0.16 uM)
50013049	3	ChEMBL_2078245 (CHEMBL4734036)	Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy
50013049	4	ChEMBL_2078246 (CHEMBL4734037)	Agonist activity at adrenergic alpha 2 receptor in human brain membrane assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation spectroscopy
50013050	1	ChEMBL_2078251 (CHEMBL4734042)	Inhibition of recombinant human CDC7/Dbf4 expressed in baculovirus infected Sf9 insect cells assessed as inhibition of fluorescein labelled substrate phosphorylation in presence of ATP measured after 60 mins by TR-FRET assay
50013051	1	ChEMBL_2078411 (CHEMBL4734202)	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 120 mins by liquid scintillation counting method
50013051	2	ChEMBL_2078427 (CHEMBL4734218)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane incubated for 120 mins by liquid scintillation counting method relative to control
50013052	1	ChEMBL_2078535 (CHEMBL4734326)	Inhibition of human topoisomerase-1 beta incubated for 2 hrs by ELISA
50013053	1	ChEMBL_2078659 (CHEMBL4734450)	Inhibition of Candida albicans ATCC SC5314 CYP51 incubated for 30 mins by spectrophotometric method
50013054	1	ChEMBL_2078714 (CHEMBL4734505)	Inhibition of Leishmania major DHFR in promastigote stage Leishmania major using dihydrofolic acid as substrate in presence of NADPH measured after 5 days by spectrophotometric method
50013054	2	ChEMBL_2078715 (CHEMBL4734506)	Inhibition of recombinant human DHFR measured by spectrophotometric method
50013054	3	ChEMBL_2078719 (CHEMBL4734510)	Inhibition of Leishmania major DHFR assessed by NADPH oxidation measured by spectrophotometric method
50013054	4	ChEMBL_2078720 (CHEMBL4734511)	Inhibition of human DHFR assessed by NADPH oxidation measured by spectrophotometric method
50013054	5	ChEMBL_2078721 (CHEMBL4734512)	Inhibition of Leishmania major DHFR
50013054	6	ChEMBL_2078722 (CHEMBL4734513)	Inhibition of human DHFR
50013055	1	ChEMBL_2078746 (CHEMBL4734537)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 1 min in presence of H2O2 by Ellman's method
50013056	1	ChEMBL_2078793 (CHEMBL4734584)	Inhibition of human ABCG2 in human MCF7/Topo cells assessed as accumulation of substrate Hoechst 33345 stain measured after 2 hrs by fluorometric microplate reader assay
50013056	2	ChEMBL_2078795 (CHEMBL4734586)	Inhibition of ABCB1 in human KB-V1 cells assessed as accumulation of substrate calcein-AM stain measured after 10 mins by fluorometric microplate reader assay
50013057	1	ChEMBL_2078806 (CHEMBL4734597)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50013057	2	ChEMBL_2078807 (CHEMBL4734598)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence assay
50013057	3	ChEMBL_2078809 (CHEMBL4734600)	Inhibition of recombinant human HDAC8 using Fluor-de-Lys as substrate measured after 1 hr by fluorescence assay
50013058	2	ChEMBL_2078854 (CHEMBL4734645)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells
50013058	3	ChEMBL_2078855 (CHEMBL4734646)	Inhibition of IDO1 in human HeLa cells preincubated for 1 hr followed by IFN-gamma stimulation and measured after 20 hrs by Ehrlich colorimetric reagent based assay
50013058	4	ChEMBL_2078856 (CHEMBL4734647)	Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21(DE3) assessed as effect on kynurenine level using L-tryptophan as substrate incubated for 1 hr by Ehrlich's reagent based assay
50013058	5	ChEMBL_2078857 (CHEMBL4734648)	Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21(DE3) incubated for 15 mins by Dixon plot analysis
50013058	6	ChEMBL_2078858 (CHEMBL4734649)	Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells incubated for 48 hrs using L-tryptophan as substrate by absorbance method
50013058	7	ChEMBL_2078859 (CHEMBL4734650)	Inhibition of recombinant human TDO expressed in Escherichia coli Rosetta (DE3) pLysS incubated for 20 mins by Dixon plot analysis
50013058	8	ChEMBL_2078860 (CHEMBL4734651)	Inhibition of human IDO1 expressed in HEK293 cells
50013058	9	ChEMBL_2078861 (CHEMBL4734652)	Inhibition of recombinant human N-terminal His-tagged IDO1 (1 to 403 residues) expressed in Escherichia coli BL21 using L-tryptophan as substrate preincubated for 30 mins followed by substrate addition by absorbance method
50013058	10	ChEMBL_2078862 (CHEMBL4734653)	Binding affinity to recombinant human IDO1 expressed in Escherichia coli BL21 incubated for 4 hrs by UV-Visible Spectroscopy
50013058	11	ChEMBL_2078863 (CHEMBL4734654)	Inhibition of human N-terminal His-tagged IDO1 expressed in Escherichia coli M15 incubated for 1 hr by UV-Vis spectrophotometric method
50013058	12	ChEMBL_2078864 (CHEMBL4734655)	Inhibition of human IDO1 in IFN-stimulated human MDA-MB-231 cells preincubated for 48 hrs followed by L-tryptophan addition and measured after 5 hrs by UV-Vis spectrophotometric method
50013058	13	ChEMBL_2078865 (CHEMBL4734656)	Inhibition of human His6-tagged IDO1 expressed in Escherichia coli BL21 incubated for 90 mins using L-tryptophan as substrate by fluorescence assay
50013058	14	ChEMBL_2078866 (CHEMBL4734657)	Inhibition of human IDO1 expressed in Escherichia coli BL21 using L-tryptophan as substrate incubated for 60 mins by Ehrlich's reagent based assay
50013058	15	ChEMBL_2078867 (CHEMBL4734658)	Inhibition of N-terminal His-tagged human IDO1 expressed in Escherichia coli using L-Trp as substrate by UV absorbance method
50013058	16	ChEMBL_2078868 (CHEMBL4734659)	Inhibition of N-terminal 6His-tagged recombinant human IDO2 (15 to 420 residues) expressed in Escherichia coli using L-Trp as substrate by UV absorbance method
50013058	17	ChEMBL_2078869 (CHEMBL4734660)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-Trp as substrate incubated for 48 hrs by Ehrlich reagent based assay
50013058	18	ChEMBL_2078870 (CHEMBL4734661)	Inhibition of recombinant human N-terminal His-tagged TDO (2 to 406 residues) expressed in Escherichia coli using L-Trp as substrate by UV absorbance method
50013058	19	ChEMBL_2078871 (CHEMBL4734662)	Inhibition of human IDO1 expressed in HEK293 cells assessed as effect on kynurenine production incubated for 24 hrs by LC-MS analysis
50013058	20	ChEMBL_2078872 (CHEMBL4734663)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as effect on KYN level incubated for 48 hrs by rapidfire-mass spectrometry
50013058	21	ChEMBL_2078873 (CHEMBL4734664)	Inhibition of human 6His/FLAG-tagged/Avi/TEV-fused IDO1 expressed in Escherichia coli by absorbance method
50013058	22	ChEMBL_2078874 (CHEMBL4734665)	Inhibition of human IDO1 expressed in HEK293 cells incubated for 20 mins by Ehrlich's reagent based assay
50013058	23	ChEMBL_2078875 (CHEMBL4734666)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells centrifuged for 10 mins
50013058	24	ChEMBL_2078876 (CHEMBL4734667)	Inhibition of human IDO1 using D-Trp as substrate by absorbance method
50013058	25	ChEMBL_2078877 (CHEMBL4734668)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as effect on kynurenine level incubated for 48 hrs by p-dimethylaminobenzaldehyde based assay
50013058	26	ChEMBL_2078880 (CHEMBL4734671)	Inhibition of mouse IDO1 expressed in mouse P1.HTR cells assessed as inhibition of Kyn production incubated for 16 hrs by HPLC analysis
50013058	27	ChEMBL_2078881 (CHEMBL4734672)	Inhibition of IDO1 (unknown origin)
50013058	28	ChEMBL_2078882 (CHEMBL4734673)	Inhibition of IDO1 in human SK-OV-3 cells assessed as effect on KYN level using L-tryptophan as substrate incubated for 18 hrs by 4-(dimethylamino)benzaldehyde based absorbance method
50013058	29	ChEMBL_2078884 (CHEMBL4734675)	Inhibition of human IDO1
50013058	30	ChEMBL_2078885 (CHEMBL4734676)	Inhibition of IDO1 in human HeLa cells
50013058	31	ChEMBL_2078887 (CHEMBL4734678)	Inhibition of human IDO1 using L-tryptophan as substrate incubated for 30 mins by p-dimethylaminobenzaldehyde reagent based assay
50013058	32	ChEMBL_2078888 (CHEMBL4734679)	Inhibition of human IDO1 expressed in HEK293 cells incubated for 12 hrs by p-dimethylaminobenzaldehyde reagent based assay
50013058	33	ChEMBL_2078889 (CHEMBL4734680)	Inhibition of recombinant human IDO1 expressed in Escherichia coli T7 incubated for 1 hrs by p-dimethylaminobenzaldehyde reagent based assay
50013058	34	ChEMBL_2078890 (CHEMBL4734681)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells incubated for 6 hrs by p-dimethylaminobenzaldehyde reagent based assay
50013058	35	ChEMBL_2078891 (CHEMBL4734682)	Binding affinity to wild type human His-tagged IDO1 expressed in Escherichia coli T7 by surface plasmon resonance
50013058	36	ChEMBL_2078892 (CHEMBL4734683)	Inhibition of human IDO1 incubated for 60 mins using L-tryptophan as substrate by absorbance method
50013058	37	ChEMBL_2078893 (CHEMBL4734684)	Inhibition of human IDO1 using L-tryptophan as substrate preincubated for 15 mins followed by substrate addition
50013058	38	ChEMBL_2078894 (CHEMBL4734685)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells incubated for 48 hrs by p-dimethylaminobenzaldehyde reagent based colorimetric assay
50013059	1	ChEMBL_2078927 (CHEMBL4734718)	Inhibition of CDK6/Cyclin D (unknown origin)
50013059	2	ChEMBL_2078928 (CHEMBL4734719)	Inhibition of CDK4/cyclin D1 (unknown origin)
50013059	3	ChEMBL_2078929 (CHEMBL4734720)	Inhibition of CDK2/Cyclin E (unknown origin)
50013060	1	ChEMBL_2079017 (CHEMBL4734808)	Agonist activity at TRPV1 in rat isolated mesenteric arteries assessed as vasorelaxation of phenylephrine-induced contraction
50013060	2	ChEMBL_2079018 (CHEMBL4734809)	Agonist activity at TRPV1 in rat isolated mesenteric arteries assessed as vasorelaxation of phenylephrine-induced contraction in presence of TRPV1 antagonist capsazepine
50013061	1	ChEMBL_2079095 (CHEMBL4734886)	Inhibition of AURKA (unknown origin)
50013061	2	ChEMBL_2079096 (CHEMBL4734887)	Inhibition of MAPK10 (unknown origin)
50013061	3	ChEMBL_2079097 (CHEMBL4734888)	Inhibition of JAK2 (unknown origin)
50013062	1	ChEMBL_2079104 (CHEMBL4734895)	Displacement of [3H]dofetilide from human ERG stably expressed in HEK293 cell membranes measured after 60 mins by microbeta liquid scintillation counting method
50013062	2	ChEMBL_2079116 (CHEMBL4734907)	Displacement of [3H]dofetilide from human ERG stably expressed in HEK293 cell membranes assessed as unlabelled dofetilide IC50 at 10 uM measured after 60 mins by microbeta liquid scintillation counting method (Rvb = 9.1 to 11.7 nM)
50013062	3	ChEMBL_2079117 (CHEMBL4734908)	Displacement of [3H]dofetilide from human ERG stably expressed in HEK293 cell membranes assessed as unlabelled dofetilide IC50 at 3 uM measured after 60 mins by microbeta liquid scintillation counting method (Rvb = 9.1 to 11.7 nM)
50013062	4	ChEMBL_2079118 (CHEMBL4734909)	Displacement of [3H]dofetilide from human ERG stably expressed in HEK293 cell membranes assessed as unlabelled dofetilide IC50 at 1 uM measured after 60 mins by microbeta liquid scintillation counting method (Rvb = 9.1 to 11.7 nM)
50013062	5	ChEMBL_2079119 (CHEMBL4734910)	Displacement of [3H]dofetilide from human ERG stably expressed in HEK293 cell membranes assessed as unlabelled dofetilide IC50 at 0.5 uM measured after 60 mins by microbeta liquid scintillation counting method (Rvb = 9.1 to 11.7 nM)
50013066	1	ChEMBL_2079131 (CHEMBL4734922)	Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T cells measured after 60 to 120 mins by liquid scintillation counting analysis
50013066	2	ChEMBL_2079132 (CHEMBL4734923)	Displacement of [3H]mepyramine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 measured after 60 mins by scintillation counting analysis
50013066	3	ChEMBL_2079133 (CHEMBL4734924)	Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in Sf9 cell membranes measured after 60 mins by scintillation counting analysis
50013066	4	ChEMBL_2079134 (CHEMBL4734925)	Displacement of [3H]histamine from Gialpha2/Gbeta1gamma2-coupled human H4R expressed in Sf9 cell membranes measured after 60 mins by scintillation counting analysis
50013066	5	ChEMBL_2079146 (CHEMBL4734937)	Binding affinity to human H3R
50013066	6	ChEMBL_2079147 (CHEMBL4734938)	Binding affinity to rat H3R
50013066	7	ChEMBL_2079148 (CHEMBL4734939)	Binding affinity to human H4R
50013072	1	ChEMBL_2079230 (CHEMBL4735021)	Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 15 mins followed by substrate addition and measured after 60 mins by ADP-glo luminescence assay
50013074	1	ChEMBL_2079300 (CHEMBL4735091)	Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into template incubated for 1 hr by ELISA
50013075	1	ChEMBL_2079473 (CHEMBL4735264)	Inhibition of PD1/PDL1 (unknown origin) protein-protein interaction measured after 15 mins by HTRF assay
50013075	2	ChEMBL_2079474 (CHEMBL4735265)	Binding affinity to recombinant human PDL1 (Met1 to Arg238 residues) expressed in HEK293 cells by isothermal titration calorimetry
50013075	3	ChEMBL_2079475 (CHEMBL4735266)	Binding affinity to recombinant mouse C-terminal polyHis-tagged PDL1 extracellular domain (Met1 to Thr238 residues) expressed in HEK293 cells by isothermal titration calorimetry
50013075	4	ChEMBL_2079476 (CHEMBL4735267)	Binding affinity to recombinant human PDL1 (Met1 to Arg238 residues) expressed in HEK293 cells by SPR analysis
50013075	5	ChEMBL_2079480 (CHEMBL4735271)	Binding affinity to recombinant mouse PDL1 (Met1 to Arg238 residues) expressed in HEK293 cells by SPR analysis
50013076	1	ChEMBL_2079538 (CHEMBL4735329)	Inhibition of wild type EZH2 (unknown origin) using histone H3 peptide (17 to 38 residues) by radiometric method
50013076	2	ChEMBL_2079539 (CHEMBL4735330)	Inhibition of human full length N-terminal Flag tagged EZH2 using unmethylated H3K27 as the substrate incubated for 120 mins by quadrupole mass spectrometry coupled UFLC analysis
50013076	3	ChEMBL_2079540 (CHEMBL4735331)	Inhibition of human full length N-terminal Flag tagged EZH2 Y641F mutant using dimethylated H3K27 as the substrate incubated for 120 mins by quadrupole mass spectrometry coupled UFLC analysis
50013076	4	ChEMBL_2079542 (CHEMBL4735333)	Competitive inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine as substrate by Michaelis-Menten plot analysis
50013076	5	ChEMBL_2079543 (CHEMBL4735334)	Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate
50013076	6	ChEMBL_2079544 (CHEMBL4735335)	Inhibition of EZH2 in PRC2 complex (unknown origin) expressed in Sf9 cells using histone H3 (21 to 44)-lys (biotin) and SAM as substrate incubated for 90 mins by radiometric scintillation proximity assay
50013076	7	ChEMBL_2079545 (CHEMBL4735336)	Inhibition of EZH2 in PRC2 complex (unknown origin) using biotinylated peptide as substrate in presence of S-adenosylmethionine
50013076	8	ChEMBL_2079546 (CHEMBL4735337)	Inhibition of EZH1 in PRC2 complex (unknown origin) using biotinylated peptide as substrate in presence of S-adenosylmethionine
50013076	9	ChEMBL_2079547 (CHEMBL4735338)	Inhibition of EZH2 in human PRC2 complex preincubated for 30 mins followed by histone h3 peptide (21 to 44 residues) and S-adenosylmethionine and measured after 90 mins
50013076	10	ChEMBL_2079552 (CHEMBL4735343)	Inhibition of human EZH2 (2 to 746 residues) expressed in baculovirus infected insect cells using histone H3 as substrate preincubated for 10 mins followed by S-adenosyl-L-[methyl-3H]methionine and measured after 60 mins by radiometric HotSpot assay
50013076	11	ChEMBL_2079553 (CHEMBL4735344)	Inhibition of human FLAG-tev-fused EZH2 expressed in baculovirus infected Sf9 insect cells using H3K27 peptide as substrate in presence of [3H]-SAM by liquid scintillation counting method
50013076	12	ChEMBL_2079554 (CHEMBL4735345)	Inhibition of human FLAG-tagged EZH2 using H3K27me as substrate in presence of [3H]-SAM incubated for 30 mins by Cheng-Prusoff analysis
50013076	13	ChEMBL_2079561 (CHEMBL4735352)	Inhibition of rat EZH2 using H3K27 peptides as substrate
50013076	14	ChEMBL_2079562 (CHEMBL4735353)	Displacement of OG(488) labeled probe from GST-tagged EED (unknown origin) incubated for 1 hr by lanthaScreen TR-FRET method
50013076	15	ChEMBL_2079563 (CHEMBL4735354)	Binding affinity to EED (unknown origin) by TR-FRET based binding assay
50013076	16	ChEMBL_2079564 (CHEMBL4735355)	Binding affinity to EED (unknown origin) by surface plasmon resonance analysis
50013076	17	ChEMBL_2079568 (CHEMBL4735359)	Inhibition of biotinylated H3K27me3 peptide (19 to 33 residues) binding to His-tagged EED (1 to 441 residues) (unknown origin) incubated for 30 mins by alphascreen competition binding assay
50013076	18	ChEMBL_2079569 (CHEMBL4735360)	Binding affinity to EED in PRC2 complex (unknown origin) using H3K27me0 (21 to 44 residue) peptide as substrate by LC-MS analysis
50013076	19	ChEMBL_2079571 (CHEMBL4735362)	Binding affinity to N-terminal His-tagged full length EED (unknown origin) expressed in Escherichia coli Rosetta2 BL21(DE3)pLysS by isothermal titration calorimetry
50013076	20	ChEMBL_2079572 (CHEMBL4735363)	Displacement of 3-FAM from N-terminal 6His-tagged full length EED (unknown origin) expressed in Escherichia coli Rosetta2 BL21(DE3)pLysS incubated for 30 mins by fluorescence polarization assay
50013076	21	ChEMBL_2079573 (CHEMBL4735364)	Binding affinity to EED (unknown origin) by surface plasmon resonance assay
50013076	22	ChEMBL_2079574 (CHEMBL4735365)	Inhibition of EZH2 in PRC2 complex (unknown origin) using core histone as substrate in presence of SAM
50013076	23	ChEMBL_2079576 (CHEMBL4735367)	Binding affinity to human N-terminal His6-tagged/thrombin cleavage site fused/ AVI-tagged EED (1 to 441 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance method
50013076	24	ChEMBL_2079580 (CHEMBL4735371)	Displacement of UNC5114-biotin tracer ligand from N-terminal 6His-tagged EED (1 to 441 residues) (unknown origin) expressed in Escherichia coli Rosetta2 BL21(DE3)pLysS cells measured after 1 hr by TR-FRET analysis
50013084	1	ChEMBL_2079582 (CHEMBL4735373)	Inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR as substrate measured after 2 hrs by ADP-glo luminescence assay
50013084	2	ChEMBL_2079583 (CHEMBL4735374)	Inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR as substrate measured after 2 hrs by ADP-glo luminescence assay
50013084	3	ChEMBL_2079589 (CHEMBL4735380)	Inhibition of recombinant CYP3A4 (unknown origin) using BFC as substrate measured after 30 mins by fluorescence assay
50013084	4	ChEMBL_2079590 (CHEMBL4735381)	Inhibition of recombinant CYP1A2 (unknown origin) using CEC as substrate measured after 15 mins by fluorescence assay
50013084	5	ChEMBL_2079591 (CHEMBL4735382)	Inhibition of recombinant CYP2B6 (unknown origin) using EFC as substrate measured after 30 mins by fluorescence assay
50013084	6	ChEMBL_2079592 (CHEMBL4735383)	Inhibition of recombinant CYP2C19 (unknown origin) using CEC as substrate measured after 30 mins by fluorescence assay
50013084	7	ChEMBL_2079593 (CHEMBL4735384)	Inhibition of recombinant CYP2D6 (unknown origin) using AMMC as substrate measured after 30 mins by fluorescence assay
50013084	8	ChEMBL_2079618 (CHEMBL4735409)	ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK1 (1 to 424 residues) expressed in baculovirus expression system using GRSRSRSRSR as substrate and varying levels of ATP by ADP-glo luminescence assay
50013084	9	ChEMBL_2079619 (CHEMBL4735410)	ATP-competitive inhibition of recombinant human full-length N-terminal GST-fused MNK2 (1 to 465 residues) expressed in baculovirus expression system using GRSRSRSRSR as substrate and varying levels of ATP by ADP-glo luminescence assay
50013086	1	ChEMBL_2079658 (CHEMBL4735449)	Inhibition of recombinant human N-terminal His-tagged KRAS (2 to 185 residues) expressed in baculovirus infected Sf9 insect cells using GTP as substrate measured after 2 hrs by GTPase-glo assay
50013089	1	ChEMBL_2079668 (CHEMBL4735459)	Inhibition of PARP1 (unknown origin)
50013089	2	ChEMBL_2079669 (CHEMBL4735460)	Inhibition of PI3Kalpha (unknown origin)
50013089	3	ChEMBL_2079711 (CHEMBL4735502)	Inhibition of human ERG
50013089	4	ChEMBL_2079716 (CHEMBL4735507)	Inhibition of PI3Kgamma (unknown origin)
50013089	5	ChEMBL_2079717 (CHEMBL4735508)	Inhibition of PI3Kdelta (unknown origin)
50013089	6	ChEMBL_2079718 (CHEMBL4735509)	Inhibition of PI3Kbeta (unknown origin)
50013089	7	ChEMBL_2079719 (CHEMBL4735510)	Inhibition of PARP2 (unknown origin)
50013092	1	ChEMBL_2079760 (CHEMBL4735551)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based Ellman's method
50013092	2	ChEMBL_2079762 (CHEMBL4735553)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate peincubated for 5 mins followed by substrate addition by DTNB-reagent based Ellman's method
50013092	3	ChEMBL_2079766 (CHEMBL4735557)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membrane measured after 60 mins
50013092	4	ChEMBL_2079767 (CHEMBL4735558)	Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by DTNB-reagent based spectrophotometric method
50013092	5	ChEMBL_2079768 (CHEMBL4735559)	Inhibition of human BuChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins by DTNB-reagent based spectrophotometric method
50013092	6	ChEMBL_2079770 (CHEMBL4735561)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in BHK cell membrane measured after 60 mins by scintillation counter method
50013092	7	ChEMBL_2079772 (CHEMBL4735563)	Antagonist activity at human 5HT6 receptor expressed in COS-7 cells assessed as inhibition of 5HT-induced cAMP accumulation preincubated for 7 mins followed by 5-HT addition and measured after 10 mins by HTRF assay
50013093	1	ChEMBL_2079781 (CHEMBL4735572)	Inhibition of recombinant human MMP2 (110 to 452 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in yeast expression system as substrate incubated for 15 mins followed by substrate addition and measured after 2 to 4 hrs by fluorescence based assay
50013093	2	ChEMBL_2079782 (CHEMBL4735573)	Inhibition of recombinant human MMP8 (99 to 269 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system as substrate incubated for 15 mins followed by substrate addition and measured after 2 to 4 hrs by fluorescence based assay
50013093	3	ChEMBL_2079783 (CHEMBL4735574)	Inhibition of recombinant human MMP9 (107 to 449 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system as substrate incubated for 15 mins followed by substrate addition and measured after 2 to 4 hrs by fluorescence based assay
50013093	4	ChEMBL_2079784 (CHEMBL4735575)	Inhibition of recombinant human MMP13 (104 to 274 residues) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 expressed in Escherichia coli expression system as substrate incubated for 15 mins followed by substrate addition and measured after 2 to 4 hrs by fluorescence based assay
50013097	1	ChEMBL_2079824 (CHEMBL4735615)	Inhibition of Flt4 (unknown origin) in presence of [gamma33]-ATP by liquid scintillation counting analysis
50013097	2	ChEMBL_2079825 (CHEMBL4735616)	Inhibition of KDR (unknown origin) in presence of [gamma33]-ATP by liquid scintillation counting analysis
50013097	3	ChEMBL_2079826 (CHEMBL4735617)	Inhibition of CKIT (unknown origin) in presence of [gamma33]-ATP by liquid scintillation counting analysis
50013097	4	ChEMBL_2079827 (CHEMBL4735618)	Inhibition of PDGFRalpha (unknown origin) in presence of [gamma33]-ATP by liquid scintillation counting analysis
50013097	5	ChEMBL_2079831 (CHEMBL4735622)	Inhibition of human ERG incubated for 3 hrs by competitive fluorescence tracer binding based assay
50013100	1	ChEMBL_2080002 (CHEMBL4735793)	Agonist activity at CB1 (unknown origin)
50013100	2	ChEMBL_2080003 (CHEMBL4735794)	Agonist activity at CB2 (unknown origin)
50013100	3	ChEMBL_2080004 (CHEMBL4735795)	Agonist activity at human CB1 expressed in mouse AtT20 cells assessed as activation of G-protein gated inwardly rectifying K+ channels measured every 2 sec for 2 mins by FLIPR membrane potential assay
50013100	4	ChEMBL_2080006 (CHEMBL4735797)	Agonist activity at human CB2 expressed in mouse AtT20 cells assessed as activation of G-protein gated inwardly rectifying K+ channels measured every 2 sec for 2 mins by FLIPR membrane potential assay
50013100	5	ChEMBL_2080009 (CHEMBL4735800)	Displacement of [3H]-CP55940 from human CB1 expressed in CHO cell membrane incubated for 3 hrs by microbeta scintillation counting method
50013100	6	ChEMBL_2080010 (CHEMBL4735801)	Displacement of [3H]-CP55940 from human CB2 expressed in CHO cell membrane incubated for 3 hrs by microbeta scintillation counting method
50013107	1	ChEMBL_2080058 (CHEMBL4735849)	Displacement of [3H]-LSD from human 5-HT6 receptor incubated for 1 hr by microbeta counting method
50013107	2	ChEMBL_2080060 (CHEMBL4735851)	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) incubated for 1 hr by microbeta counting method
50013107	3	ChEMBL_2080061 (CHEMBL4735852)	Binding affinity to 5-HT2A receptor (unknown origin) incubated for 1 hr by microbeta counting based displacement assay
50013107	4	ChEMBL_2080063 (CHEMBL4735854)	Displacement of [3H]-Raclopride from dopamine D2 receptor (unknown origin) incubated for 1 hr by microbeta counting method
50013108	1	ChEMBL_2080068 (CHEMBL4735859)	Inhibition of RdRP activity in Influenza A virus A/PR/8/34 (H1N1) infected in HEK293T cells co-transfected with NP/PA/PB1/PB2/pPolI-Flu-ffLuc/pRL-SV40 incubated for 24 hrs by minireplicon based dual luciferase assay
50013115	1	ChEMBL_2080122 (CHEMBL4735913)	Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured after 5 hrs by CRE-driven luciferase reporter gene assay
50013115	2	ChEMBL_2080125 (CHEMBL4735916)	Antagonist activity at human histamine H1 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured after 5 hrs by CRE-driven luciferase reporter gene assay
50013115	3	ChEMBL_2080126 (CHEMBL4735917)	Antagonist activity at human histamine H2 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured after 5 hrs by CRE-driven luciferase reporter gene assay
50013115	4	ChEMBL_2080127 (CHEMBL4735918)	Antagonist activity at human histamine H4 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured after 5 hrs by CRE-driven luciferase reporter gene assay
50013116	1	ChEMBL_2080320 (CHEMBL4736111)	Inhibition of recombinant human SIRT2 using KTcr-I as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs in presence of NAD+ by fluorescence photometric method
50013118	1	ChEMBL_2080328 (CHEMBL4736119)	Binding affinity to 5HT6R (unknown origin)
50013118	2	ChEMBL_2080329 (CHEMBL4736120)	Partial inverse agonist activity at 5HT6R (unknown origin)
50013118	3	ChEMBL_2080333 (CHEMBL4736124)	Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis
50013118	4	ChEMBL_2080335 (CHEMBL4736126)	Inverse agonist activity at 5HT6R (unknown origin) expressed in 1321N1 cells co-expressing CAMYEL assessed as reduction in basal cAMP accumulation by BRET assay
50013118	5	ChEMBL_2080336 (CHEMBL4736127)	Neutral antagonist activity at 5HT6R (unknown origin) expressed in 1321N1 cells co-expressing CAMYEL assessed as inhibition of WAY181187-induced cAMP accumulation by BRET assay
50013118	6	ChEMBL_2080337 (CHEMBL4736128)	Displacement of [3H]-8-OH-DPAT from human 5HT1A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis
50013118	7	ChEMBL_2080338 (CHEMBL4736129)	Displacement of [3H]-8-OH-DPAT from human 5HT2A expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis
50013118	8	ChEMBL_2080339 (CHEMBL4736130)	Displacement of [3H]-5-CT from human 5HT7b expressed in HEK293 cell membranes incubated for 1 hr by micro-beta plate reader based analysis
50013118	9	ChEMBL_2080340 (CHEMBL4736131)	Displacement of [3H]-raclopride from human D2L expressed in CHO-K1 cell membranes incubated for 1 hr by micro-beta plate reader based analysis
50013118	10	ChEMBL_2080343 (CHEMBL4736134)	Agonist activity at human 5HT1A expressed in HEK293 cells assessed as stimulation of cAMP production incubated for 30 mins by LANCE ultra cAMP detection assay
50013119	1	ChEMBL_2080383 (CHEMBL4736174)	Inhibition of recombinant human Sphk1 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 mins in presence of [gamma-32P]ATP by liquid scintillation counting analysis
50013119	2	ChEMBL_2080384 (CHEMBL4736175)	Inhibition of recombinant human Sphk2 expressed in baculovirus infected Sf9 insect cells using d-erythro-sphingosine as substrate measured after 20 mins in presence of [gamma-32P]ATP by liquid scintillation counting analysis
50013119	3	ChEMBL_2080388 (CHEMBL4736179)	Inhibition of recombinant human Sphk2 expressed in yeast strain KYA1 assessed as increase in yeast growth measured after 24 hrs
50013119	4	ChEMBL_2080389 (CHEMBL4736180)	Competitive-inhibition of recombinant human C-terminal His6-tagged Sphk1 expressed in baculovirus infected Sf21 insect cells using varying levels of sphingosine as substrate measured after 30 mins by LC-MS analysis
50013119	5	ChEMBL_2080390 (CHEMBL4736181)	Inhibition of recombinant human N-terminal His-tagged Sphk2 (2 to 593 residues) expressed in Escherichia coli using varying level of sphingosine as substrate by ADP quest assay
50013120	1	ChEMBL_2080392 (CHEMBL4736183)	Displacement of [3H]raclopride from human D2R isoform 2 stably expressed in HEK293 cell membranes measured after 1 hr by liquid scintillation counting method
50013120	2	ChEMBL_2080395 (CHEMBL4736186)	Agonist activity at human D2R isoform 2 stably expressed in HEK293 cells assessed as inhibition of forskolin-induced increase of cAMP accumulation preincubated for 10 mins followed by forskolin addition by Glosensor cAMP reagent based luminescence assay
50013121	1	ChEMBL_2080401 (CHEMBL4736192)	Inhibition of recombinant human N-terminal GST-tagged ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus infected Sf21 cells using kinase substrate22 by mobility shift assay
50013123	1	ChEMBL_2080513 (CHEMBL4736304)	Agonist activity at human Gi/G0-coupled mu opioid receptor expressed in human U2OS cells co-expressing EA-tagged beta-arrestin2 assessed as beta-arrestin 2 recruitment by PathHunter assay
50013123	2	ChEMBL_2080534 (CHEMBL4736325)	Binding affinity to mu opioid receptor (unknown origin)
50013124	1	ChEMBL_2080588 (CHEMBL4736379)	Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system using poly (Glu-Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50013124	2	ChEMBL_2080589 (CHEMBL4736380)	Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in baculovirus expression system using poly (Glu-Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50013124	3	ChEMBL_2080677 (CHEMBL4736468)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 3 mins by LC-MS/MS analysis
50013124	4	ChEMBL_2080678 (CHEMBL4736469)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50013124	5	ChEMBL_2080679 (CHEMBL4736470)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50013124	6	ChEMBL_2080680 (CHEMBL4736471)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50013124	7	ChEMBL_2080681 (CHEMBL4736472)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 20 mins by LC-MS/MS analysis
50013124	8	ChEMBL_2080682 (CHEMBL4736473)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 20 mins by LC-MS/MS analysis
50013124	9	ChEMBL_2080683 (CHEMBL4736474)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50013124	10	ChEMBL_2080684 (CHEMBL4736475)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins in presence of NADPH generating system followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50013125	1	ChEMBL_2080695 (CHEMBL4736486)	Inhibition of VEGFR2 (unknown origin) by caliper mobility shift assay
50013126	1	ChEMBL_2080732 (CHEMBL4736523)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 180 secs by Ellman's method
50013126	2	ChEMBL_2080733 (CHEMBL4736524)	Inhibition of equine serum BuChE using butylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 180 secs by Ellman's method
50013126	3	ChEMBL_2080742 (CHEMBL4736533)	Mixed-type inhibition of electric eel AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 180 secs by Ellman's method based Lineweaver-burk plot analysis
50013126	4	ChEMBL_2080743 (CHEMBL4736534)	Mixed-type inhibition of equine serum BuChE using varying levels of butylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 180 secs by Ellman's method based Lineweaver-burk plot analysis
50013127	1	ChEMBL_2080773 (CHEMBL4736564)	Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mins by biomol green reagent based assay
50013127	2	ChEMBL_2080774 (CHEMBL4736565)	Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 mins by luciferase reporter gene assay
50013127	3	ChEMBL_2080781 (CHEMBL4736572)	Inhibition of His6-tagged p97 C522A mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mins by biomol green reagent based assay
50013127	4	ChEMBL_2080787 (CHEMBL4736578)	Inhibition of hamster NSF assessed as reduction in ATPase activity measured after 60 mins by biomol green reagent based assay
50013127	5	ChEMBL_2080788 (CHEMBL4736579)	Inhibition of human 19s Rpt3 ATPase activity measured after 60 mins by biomol green reagent based assay
50013128	1	ChEMBL_2080856 (CHEMBL4736647)	Inhibition of recombinant human IDO1 expressed in Escherichia coli BL21 (DE3) using tryptophan as substrate
50013128	2	ChEMBL_2080859 (CHEMBL4736650)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells using tryptophan as substrate measured after 48 hrs
50013129	1	ChEMBL_2080907 (CHEMBL4736698)	Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
50013129	2	ChEMBL_2080909 (CHEMBL4736700)	Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
50013129	3	ChEMBL_2080911 (CHEMBL4736702)	Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
50013129	4	ChEMBL_2080913 (CHEMBL4736704)	Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
50013129	5	ChEMBL_2080915 (CHEMBL4736706)	Agonist activity at recombinant human S1P3 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
50013129	6	ChEMBL_2080916 (CHEMBL4736707)	Agonist activity at recombinant human S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
50013129	7	ChEMBL_2080917 (CHEMBL4736708)	Agonist activity at recombinant human S1P5 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
50013130	1	ChEMBL_2080943 (CHEMBL4736734)	Binding affinity to RORgammat (unknown origin) in cell-free system
50013130	2	ChEMBL_2080944 (CHEMBL4736735)	Inverse agonist activity at GAL4-fused RORgammat (unknown origin) transfected in HEK293T cells assessed as inhibition of RORgammat driven transcriptional activity by dual-luciferase reporter gene assay
50013132	1	ChEMBL_2080978 (CHEMBL4736769)	Binding affinity to FKBP12 (unknown origin) expressed in HEK293 cells co-expressing FRB assessed as induction of FKBP12-FRB dimerization measured for 15 mins by nano-glo live cell reagent based luminescence assay
50013132	2	ChEMBL_2080981 (CHEMBL4736772)	Binding affinity to FKBP12 (unknown origin) expressed in HEK293 cells co-expressing FRB assessed as inhibition of rapamycin-induced FKBP12-FRB dimerization measured after 25 mins by nano-glo live cell reagent based luminescence assay
50013133	1	ChEMBL_2080991 (CHEMBL4736782)	Inhibition of HDAC6 (unknown origin)
50013133	2	ChEMBL_2080993 (CHEMBL4736784)	Inhibition of HER2 (unknown origin) by mobility shift assay
50013133	3	ChEMBL_2080994 (CHEMBL4736785)	Inhibition of HDAC1 (unknown origin)
50013133	4	ChEMBL_2080995 (CHEMBL4736786)	Inhibition of EGFR L858R/T790M (unknown origin) by mobility shift assay
50013133	5	ChEMBL_2080996 (CHEMBL4736787)	Inhibition of EGFR (unknown origin) by mobility shift assay
50013133	6	ChEMBL_2080997 (CHEMBL4736788)	Inhibition of EGFR L858R (unknown origin) by mobility shift assay
50013134	1	ChEMBL_2081035 (CHEMBL4736826)	Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by Lanthascreen TR-FRET assay
50013134	2	ChEMBL_2081040 (CHEMBL4736831)	Inhibition of NanoBRET tracer 5 binding to NL-fused GAK (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50013134	3	ChEMBL_2081047 (CHEMBL4736838)	Binding affinity to GAK (unknown origin)
50013135	1	ChEMBL_2081048 (CHEMBL4736839)	Inhibition of recombinant human GSK-3beta using phosphorylated polypeptide as substrate incubated for 30 mins in presence of ATP by kinase-glo luminescence assay
50013135	2	ChEMBL_2081050 (CHEMBL4736841)	Inhibition of human GSK-3beta using Ser/Thr 6 peptide as substrate preincubated for 60 mins followed by ATP and substrate addition and measured after 45 mins by Z'lyte assay
50013137	1	ChEMBL_2081144 (CHEMBL4736935)	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50013137	2	ChEMBL_2081145 (CHEMBL4736936)	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50013137	3	ChEMBL_2081153 (CHEMBL4736944)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-tagged NSD2- PWWP1 (unknown origin) transfected in human U2OS cells preincubated for one day followed by Nano-GloR substrate addition at the next day and measured withing 10 mins by NanoBRET assay
50013137	4	ChEMBL_2081155 (CHEMBL4736946)	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant in presence of 0.5% DMSO by surface plasmon resonance analysis
50013138	1	ChEMBL_2081156 (CHEMBL4736947)	Inhibition of human CAH1 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	2	ChEMBL_2081157 (CHEMBL4736948)	Inhibition of human CAH2 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	3	ChEMBL_2081158 (CHEMBL4736949)	Inhibition of human CAH3 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	4	ChEMBL_2081159 (CHEMBL4736950)	Inhibition of human CAH4 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	5	ChEMBL_2081160 (CHEMBL4736951)	Inhibition of human CAH5A expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	6	ChEMBL_2081161 (CHEMBL4736952)	Inhibition of human CAH5B expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	7	ChEMBL_2081162 (CHEMBL4736953)	Inhibition of human CAH6 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	8	ChEMBL_2081163 (CHEMBL4736954)	Inhibition of human CAH7 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	9	ChEMBL_2081164 (CHEMBL4736955)	Inhibition of human CAH9 catalytic domain expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	10	ChEMBL_2081165 (CHEMBL4736956)	Inhibition of human CAH12 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	11	ChEMBL_2081166 (CHEMBL4736957)	Inhibition of human CAH13 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	12	ChEMBL_2081167 (CHEMBL4736958)	Inhibition of human CAH14 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assay
50013138	13	ChEMBL_2081168 (CHEMBL4736959)	Inhibition of human full length CAH2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in esterase activity using p-nitrophenyl acetate substrate by stopped flow CO2 hydration assay
50013138	14	ChEMBL_2081169 (CHEMBL4736960)	Inhibition of human CAH9 catalytic domain expressed in Escherichia coli BL21 (DE3) assessed as reduction in esterase activity using p-nitrophenyl acetate substrate by stopped flow CO2 hydration assay
50013138	15	ChEMBL_2081183 (CHEMBL4736974)	Inhibition of CAH9 in human MCF-10A cells under hypoxic condition by membrane inlet for mass spectrometry
50013138	16	ChEMBL_2081184 (CHEMBL4736975)	Inhibition of CAH9 in human UFH-001 cells under normoxic condition by membrane inlet for mass spectrometry
50013138	17	ChEMBL_2081185 (CHEMBL4736976)	Inhibition of CAH9 in human UFH-001 cells under hypoxic condition by membrane inlet for mass spectrometry
50013138	18	ChEMBL_2081186 (CHEMBL4736977)	Inhibition of CAH9 in human T47D cells under normoxic condition by membrane inlet for mass spectrometry
50013138	19	ChEMBL_2081187 (CHEMBL4736978)	Inhibition of CAH9 in human T47D cells under hypoxic condition by membrane inlet for mass spectrometry
50013139	1	ChEMBL_2081213 (CHEMBL4737004)	Inhibition of GSTP1-1 (unknown origin) using reduced GSH and CDNB as substrate incubated for 10 mins followed by substrate addition by microplate reader analysis
50013139	2	ChEMBL_2081214 (CHEMBL4737005)	Inhibition of GSTM2-2 (unknown origin) using reduced GSH and CDNB as substrate incubated for 10 mins followed by substrate addition by microplate reader analysis
50013139	3	ChEMBL_2081222 (CHEMBL4737013)	Time dependent inhibition of GSTP1-1 (unknown origin) assessed as inhibition constant using reduced GSH and CDNB as substrate by spectrophotometric method
50013140	1	ChEMBL_2081276 (CHEMBL4737067)	Inhibition of wild type EZH2 (unknown origin)
50013140	2	ChEMBL_2081277 (CHEMBL4737068)	Inhibition of wild type EZH2 Y641N mutant (unknown origin)
50013140	3	ChEMBL_2081278 (CHEMBL4737069)	Inhibition of wild type EZH2 in human KARPAS-422 cells assessed as effect on H3K27Me3 levels
50013141	1	ChEMBL_2081371 (CHEMBL4737162)	Displacement of [125I]Tyr3-neurotensin from human recombinant NTS1 stably expressed in CHO-K1 cell membranes incubated for 60 mins by gamma counter analysis
50013141	2	ChEMBL_2081372 (CHEMBL4737163)	Displacement of [125I]Tyr3-neurotensin from human recombinant NTS2 stably expressed in human 1321N1 cell membranes incubated for 60 mins by gamma counter analysis
50013141	3	ChEMBL_2081403 (CHEMBL4737194)	Displacement of [3H]-neurotensin from NTS1 in mouse brain membrane incubated for 30 mins by liquid scintillation counter analysis
50013141	4	ChEMBL_2081404 (CHEMBL4737195)	Binding affinity to NTS1 (unknown origin)
50013141	5	ChEMBL_2081405 (CHEMBL4737196)	Displacement of [3H]-neurotensin from NTS1 in human HT-29 cell membrane incubated for 20 mins by liquid scintillation counter analysis
50013141	6	ChEMBL_2081406 (CHEMBL4737197)	Displacement of [125I]Tyr3-neurotensin from human recombinant NTS1 stably expressed in CHO cell membranes
50013141	7	ChEMBL_2081407 (CHEMBL4737198)	Binding affinity to NTS2 (unknown origin)
50013143	1	ChEMBL_2081414 (CHEMBL4737205)	Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells
50013143	2	ChEMBL_2081421 (CHEMBL4737212)	Antagonist activity at human P2X2/3 receptor
50013143	3	ChEMBL_2081422 (CHEMBL4737213)	Antagonist activity at human P2X1 receptor expressed in rat C6-BU-1 cells
50013143	4	ChEMBL_2081423 (CHEMBL4737214)	Antagonist activity at human P2X2 receptor expressed in rat C6-BU-1 cells
50013143	5	ChEMBL_2081424 (CHEMBL4737215)	Antagonist activity at human P2X4 receptor expressed in rat C6-BU-1 cells
50013143	6	ChEMBL_2081425 (CHEMBL4737216)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells
50013143	7	ChEMBL_2081428 (CHEMBL4737219)	Inhibition of CYP1A2 (unknown origin)
50013143	8	ChEMBL_2081429 (CHEMBL4737220)	Inhibition of CYP2C9 (unknown origin)
50013143	9	ChEMBL_2081430 (CHEMBL4737221)	Inhibition of CYP2C19 (unknown origin)
50013143	10	ChEMBL_2081431 (CHEMBL4737222)	Inhibition of CYP2D6 (unknown origin)
50013143	11	ChEMBL_2081432 (CHEMBL4737223)	Inhibition of CYP3A4 (unknown origin)
50013144	1	ChEMBL_2081450 (CHEMBL4737241)	Antagonist activity at human alpha4beta2 nAChR stably expressed in HEK293 cells assessed as inhibition of acethylcholine-evoked currents by whole-cell patch clamp method
50013144	2	ChEMBL_2081457 (CHEMBL4737248)	Agonist activity at recombinant human nAChRalpha7 expressed in HEK293 Flip-In cells co-expressing RIC3 assessed as increase in intra cellular calcium level after 10 mins by fluorescence relative to control
50013144	3	ChEMBL_2081459 (CHEMBL4737250)	Positive allosteric modulation of recombinant human nAChRalpha7 expressed in HEK293 Flip-In cells co-expressing RIC3 assessed as increase in choline-induced inward current after 6 to 10 mins by whole-cell patch clamp method
50013145	1	ChEMBL_2081534 (CHEMBL4737325)	Inhibition of EGFR T790M mutant (unknown origin)
50013145	2	ChEMBL_2081535 (CHEMBL4737326)	Inhibition of HER2 (unknown origin)
50013146	1	ChEMBL_2081556 (CHEMBL4737347)	Agonist activity at FPR2 (unknown origin) by calcium mobilization assay
50013146	2	ChEMBL_2081563 (CHEMBL4737354)	Agonist activity at FPR2 (unknown origin) assessed as increase in calcium mobilization by cellular based FLIPR assay
50013146	3	ChEMBL_2081565 (CHEMBL4737356)	Agonist activity at human FPR2 expressed in CHO-K1 cells assessed as stimulation of beta-arrestin recruitment incubated for 150 mins by beta-galactosidase based PathHunter assay
50013148	1	ChEMBL_2081575 (CHEMBL4737366)	Displacement of [3H]-ZM241385 from recombinant human A2A receptor expressed in CHO-K1 cells incubated for 70 mins by liquid scintillation counting method
50013148	2	ChEMBL_2081576 (CHEMBL4737367)	Displacement of [3H]-ZM241385 from A2A receptor in rat brain corpora striata incubated for 70 mins by liquid scintillation counting method
50013148	3	ChEMBL_2081577 (CHEMBL4737368)	Displacement of [3H]-DPCPX from recombinant human A1 receptor expressed in CHO-K1 cells incubated for 70 mins by liquid scintillation counting method
50013149	1	ChEMBL_2081599 (CHEMBL4737390)	Binding affinity to PDK1 (unknown origin) by isothermal titration calorimetry
50013149	2	ChEMBL_2081601 (CHEMBL4737392)	Binding affinity to PDK3 (unknown origin) by isothermal titration calorimetry
50013149	3	ChEMBL_2081602 (CHEMBL4737393)	Binding affinity to PDK4 (unknown origin) by isothermal titration calorimetry
50013152	1	ChEMBL_2081650 (CHEMBL4737441)	Inhibition of human N-terminal GST-tagged CDK2 (1 to 298 residues)/Cyclin A (174 to 432 residues) expressed in Escherichia coli Turner (DE3) cells assessed as reduction in ADP formation using PKTPKKAKKL as substrate by resorufin dye based fluorescence assay
50013152	2	ChEMBL_2081663 (CHEMBL4737454)	Inhibition of CDK2/Cyclin A1 (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method
50013152	3	ChEMBL_2081664 (CHEMBL4737455)	Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method
50013152	4	ChEMBL_2081665 (CHEMBL4737456)	Inhibition of CDK2/Cyclin-O (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method
50013152	5	ChEMBL_2081666 (CHEMBL4737457)	Binding affinity to T7-tagged CDK2 (unknown origin) expressed in bacteriophage infected Escherichia coli BL21 incubated for 30 mins by magnetic beads based qPCR anlaysis
50013156	1	ChEMBL_2081727 (CHEMBL4737518)	Agonist activity at RXFP1 endogenously expressed in human OVCAR-5 cells assessed as increase in IBMX-induced cAMP accumulation pretreated with IBMX for 40 mins followed by compound addition and measured after 30 mins by HTRF assay
50013156	2	ChEMBL_2081734 (CHEMBL4737525)	Agonist activity at rat RXFP1 expressed in human HEK296 cells assessed as increase in IBMX-induced cAMP accumulation pretreated with IBMX for 40 mins followed by compound addition and measured after 30 mins by HTRF assay
50013156	3	ChEMBL_2081737 (CHEMBL4737528)	Agonist activity at RXFP1 endogenously expressed in human OVCAR-5 cells assessed as increase in IBMX-induced cAMP accumulation pretreated with IBMX for 40 mins followed by compound addition and measured after 30 mins in presence of 2 % HSA by HTRF assay
50013156	4	ChEMBL_2081744 (CHEMBL4737535)	Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay
50013156	5	ChEMBL_2081745 (CHEMBL4737536)	Agonist activity at human RXFP1 expressed in human HEK-293T cells co-transfected with pCRE beta-galactosidase reporter plasmid assessed as inhibition of IBMX-induced cAMP accumulation incubated for 30 mins by HTRF assay
50013157	1	ChEMBL_2081755 (CHEMBL4737546)	Positive allosteric modulation of rat mGlu4 receptor expressed in HEK293 cells co- expressing GIRK channel by thallium mobilization assay
50013157	2	ChEMBL_2081762 (CHEMBL4737553)	Displacement of [3H]quisqualate from mGluR1 from rat brain incubated for 60 mins by radiometric scintillation counting analysis
50013157	3	ChEMBL_2081763 (CHEMBL4737554)	Displacement of [3H]LY341495 from full length human recombinant mGluR2 expressed in Chem-1 cells incubated for 60 mins by radiometric scintillation counting analysis
50013157	4	ChEMBL_2081764 (CHEMBL4737555)	Binding affinity to mGlu3 (unknown origin)
50013157	5	ChEMBL_2081765 (CHEMBL4737556)	Binding affinity to mGlu5 (unknown origin)
50013157	6	ChEMBL_2081766 (CHEMBL4737557)	Binding affinity to mGlu7 (unknown origin)
50013158	1	ChEMBL_2081809 (CHEMBL4737600)	Inhibition of recombinant human PI3Kalpha using PIP2 as substrate incubated for 1 hr by kinase-glo luminescent assay
50013158	2	ChEMBL_2081810 (CHEMBL4737601)	Inhibition of recombinant human N-terminal FLAG-tagged mTOR (1362 to end amino acids) using ULight-4E-BP1 as substrate incubated for 1 hr by LANCE Ultra assay
50013158	3	ChEMBL_2081813 (CHEMBL4737604)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo assay
50013158	4	ChEMBL_2081814 (CHEMBL4737605)	Inhibition of recombinant human full-length His-tagged PI3Kgamma expressed in baculovirus expression system using PIP2 as substrate measured after 1 hr by ADP-glo assay
50013158	5	ChEMBL_2081815 (CHEMBL4737606)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo assay
50013159	1	ChEMBL_2081883 (CHEMBL4737674)	Inhibition of reverse transcriptase L100I mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013159	2	ChEMBL_2081884 (CHEMBL4737675)	Inhibition of reverse transcriptase K103N mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013159	3	ChEMBL_2081886 (CHEMBL4737677)	Inhibition of reverse transcriptase Y188L mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013159	4	ChEMBL_2081887 (CHEMBL4737678)	Inhibition of reverse transcriptase E138K mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013159	5	ChEMBL_2081888 (CHEMBL4737679)	Inhibition of reverse transcriptase F227L/V106A double mutant in HIV-1 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013159	6	ChEMBL_2081890 (CHEMBL4737681)	Inhibition of HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into wild type RT measured after 1 hr by ELISA
50013161	1	ChEMBL_2081894 (CHEMBL4737685)	Inhibition of recombinant human HDAC4 using Ac-LGK(TFA)-AMC as substrate pre-incubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50013161	2	ChEMBL_2081895 (CHEMBL4737686)	Inhibition of recombinant human HDAC7 using Ac-LGK(TFA)-AMC as substrate pre-incubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50013161	3	ChEMBL_2081896 (CHEMBL4737687)	Inhibition of recombinant human HDAC1 using Ac-LGK(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based assay
50013161	4	ChEMBL_2081900 (CHEMBL4737691)	Inhibition of recombinant human HDAC5 using Ac-LGK(TFA)-AMC as substrate pre-incubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50013161	5	ChEMBL_2081901 (CHEMBL4737692)	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate pre-incubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50013161	6	ChEMBL_2081902 (CHEMBL4737693)	Inhibition of recombinant human HDAC8 using Ac-LGK(TFA)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based assay
50013161	7	ChEMBL_2081903 (CHEMBL4737694)	Inhibition of recombinant human HDAC9 using Ac-LGK(TFA)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50013161	8	ChEMBL_2081904 (CHEMBL4737695)	Inhibition of Class 1 histone deacetylase in human THP-1 cells using Ac-LGK(Ac)-AMC as substrate incubated for 3 hrs followed by 50 uM SAHA addition and measured after 1 hr by fluorescence based assay
50013163	1	ChEMBL_2081913 (CHEMBL4737704)	Inhibition of CDK8/cyclin C (unknown origin) using RBER-IRStide as substrate incubated for 60 mins in presence of [gamma33P]ATP by scintillation counting method
50013163	2	ChEMBL_2081930 (CHEMBL4737721)	Inhibition of CDK1/cyclin-B (unknown origin)
50013163	3	ChEMBL_2081931 (CHEMBL4737722)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50013163	4	ChEMBL_2081935 (CHEMBL4737726)	Inhibition of human GSKalpha S449A mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013163	5	ChEMBL_2081936 (CHEMBL4737727)	Inhibition of human GSKbeta H350L mutant (2 to 3nd residues) using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013163	6	ChEMBL_2081937 (CHEMBL4737728)	Inhibition of human full length PKCtheta using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013163	7	ChEMBL_2081965 (CHEMBL4737756)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysis
50013163	8	ChEMBL_2081966 (CHEMBL4737757)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan O-demethylation as substrate by LC-MS/MS analysis
50013163	9	ChEMBL_2081967 (CHEMBL4737758)	Inhibition of CYP3A4 in human liver microsomes using midazolam 1-hydroxylation as substrate by LC-MS/MS analysis
50013163	10	ChEMBL_2081968 (CHEMBL4737759)	Inhibition of human ERG expressed in CHO cells
50013163	11	ChEMBL_2082010 (CHEMBL4737801)	Inhibition of CYP2C19 in human liver microsomes using tolbutamide 4-hydroxylation as substrate by LC-MS/MS analysis
50013166	1	ChEMBL_2082022 (CHEMBL4737813)	Inhibition of recombinant human N- terminal His-tagged GGPPS (1 to 300 residues) expressed in Escherichia coli
50013166	2	ChEMBL_2082023 (CHEMBL4737814)	Inhibition of FPPS (unknown origin)
50013166	3	ChEMBL_2082025 (CHEMBL4737816)	Inhibition of GGPPS in human MIA PaCa-2 cells assessed as reduction in cell growth incubated for 72 hrs by MTT assay
50013166	4	ChEMBL_2082026 (CHEMBL4737817)	Inhibition of GGPPS in human MDA-MB-231 cells assessed as reduction in cell growth incubated for 72 hrs by MTT assay
50013166	5	ChEMBL_2082027 (CHEMBL4737818)	Inhibition of GGPPS in human A549 cells assessed as reduction in cell growth incubated for 72 hrs by MTT assay
50013168	1	ChEMBL_2082050 (CHEMBL4737841)	Inhibition of human ERG incubated for 4 hrs by fluorescene microplate reader assay
50013169	1	ChEMBL_2082102 (CHEMBL4737893)	Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and measured for 30 mins by fluorescence based assay
50013169	2	ChEMBL_2082103 (CHEMBL4737894)	Inhibition of MMP9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and measured for 30 mins by fluorescence based assay
50013169	3	ChEMBL_2082104 (CHEMBL4737895)	Inhibition of human CA1 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50013169	4	ChEMBL_2082105 (CHEMBL4737896)	Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50013169	5	ChEMBL_2082106 (CHEMBL4737897)	Inhibition of human CA9 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50013169	6	ChEMBL_2082107 (CHEMBL4737898)	Inhibition of human CA12 incubated for 15 mins by stopped-flow CO2 hydration kinetic assay based Cheng-Prusoff equation analysis
50013170	1	ChEMBL_2082112 (CHEMBL4737903)	Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50013170	2	ChEMBL_2082113 (CHEMBL4737904)	Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50013170	3	ChEMBL_2082114 (CHEMBL4737905)	Inhibition of recombinant human N-terminal GST-tagged ALK G1202R mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50013170	4	ChEMBL_2082115 (CHEMBL4737906)	Inhibition of recombinant human N-terminal GST-tagged ROS1 (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate incubated for 1 hr by mobility shift assay
50013170	5	ChEMBL_2082116 (CHEMBL4737907)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using Srctide as substrate incubated for 1 hr by mobility shift assay
50013171	1	ChEMBL_2082217 (CHEMBL4738008)	Agonist activity at AHR in human MDA-MB-468 cells incubated for 24 hrs by Western blot analysis
50013171	2	ChEMBL_2082218 (CHEMBL4738009)	Agonist activity at AHR in human HepG2 cells incubated for 4.5 hrs by Luciferase reporter assay
50013171	3	ChEMBL_2082219 (CHEMBL4738010)	Agonist activity at AHR in human AZ-AHR stable HepG2 cells by Luciferase reporter assay
50013172	1	ChEMBL_2082220 (CHEMBL4738011)	Inhibition of AChE in human erythrocytes using acetylthiocholineiodide as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 mins by DTNB reagent based Ellman's method
50013172	2	ChEMBL_2082221 (CHEMBL4738012)	Inhibition of BuChE in human serum using butyrylthiocholineiodide as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 mins by DTNB reagent based Ellman's method
50013172	3	ChEMBL_2082224 (CHEMBL4738015)	Non-competitive inhibition of AChE in human erythrocytes measured at 2 mins interval for 10 mins by Dixon plot analysis
50013172	4	ChEMBL_2082243 (CHEMBL4738034)	Inhibition of AChE (unknown origin) by DTNB reagent based Ellman's method
50013172	5	ChEMBL_2082244 (CHEMBL4738035)	Inhibition of BuChE (unknown origin) by DTNB reagent based Ellman's method
50013174	1	ChEMBL_2082245 (CHEMBL4738036)	Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins followed by substrate addition and measured for 4 mins by spectrophotometric analysis
50013174	2	ChEMBL_2082246 (CHEMBL4738037)	Inhibition of Wistar rat kidney ALR1 assessed as reduction in NADPH oxidation using sodium D-glucuronate and NADPH as substrate preincubated for 10 mins followed by substrate addition and measured for 4 mins by spectrophotometric analysis
50013175	1	ChEMBL_2082300 (CHEMBL4738091)	Inhibition of HDAC1 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50013175	2	ChEMBL_2082301 (CHEMBL4738092)	Inhibition of HDAC2 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50013175	3	ChEMBL_2082302 (CHEMBL4738093)	Inhibition of HDAC3 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50013175	4	ChEMBL_2082303 (CHEMBL4738094)	Inhibition of HDAC8 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50013175	5	ChEMBL_2082304 (CHEMBL4738095)	Inhibition of HDAC10 (unknown origin) using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50013177	1	ChEMBL_2082434 (CHEMBL4738225)	Allosteric antagonist activity at eFYP-tagged human NPY4R expressed in COS7 cells co-expressing Gqi5-alpha assessed as inhibition of PP-induced Ca2+ flux by Fluo-2 AM dye based fluorescent assay relative to control
50013177	2	ChEMBL_2082447 (CHEMBL4738238)	Allosteric antagonist activity at NPY5R in mouse descending colon mucosa assessed as reduction in rPP-induced ion transport by electrophysiology
50013181	1	ChEMBL_2082484 (CHEMBL4738275)	Displacement of [3H]-CCR2-RA from human CCR2b expressed in human U2OS cell membranes incubated for 2 hrs by scintillation counting method
50013181	2	ChEMBL_2082488 (CHEMBL4738279)	Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 0 hrs before radio ligand addition and measured after 20 mins by scintillation counting method
50013181	3	ChEMBL_2082489 (CHEMBL4738280)	Displacement of [3H]-CCR2-RA-(R) from human CCR2b expressed in human U2OS cell membranes pre-incubated for 4 hrs before radio ligand addition and measured after 20 mins by scintillation counting method
50013181	4	ChEMBL_2082493 (CHEMBL4738284)	Antagonist activity at human CCR2 expressed in human U2OS cell membranes as inhibition of [35S]GTPgammaS binding pre-incubated for 30 mins before CCL2 stimulation and followed by further incubation for 90 mins by scintillation counting method
50013181	5	ChEMBL_2082494 (CHEMBL4738285)	Antagonist activity at human CCR2 expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment pre-incubated for 20 mins before CCL2 stimulation and followed by further incubation for 90 mins by NanoBiT CCR2 assay based
50013181	6	ChEMBL_2082495 (CHEMBL4738286)	Antagonist activity at human CCR2 expressed in HEK293 cells assessed as inhibition of beta-arrestin recruitment pre-incubated for 20 mins followed by drug wash out before CCL2 stimulation and followed by further incubation for 90 mins by NanoBiT CCR2 assay based
50013181	7	ChEMBL_2082501 (CHEMBL4738292)	Displacement of [3H]-CCR2-RA-[R] from wild type human CCR2 expressed in CHO cell membranes incubated for 2 hrs by scintillation counting method
50013181	8	ChEMBL_2082511 (CHEMBL4738302)	Antagonist activity at human CCR1 expressed in human U2OS cell membranes as inhibition of [35S]GTPgammaS binding pre-incubated for 30 mins before CCL3 stimulation and followed by further incubation for 90 mins by scintillation counting method
50013181	9	ChEMBL_2082512 (CHEMBL4738303)	Antagonist activity at human CCR5 expressed in human U2OS cell membranes as inhibition of [35S]GTPgammaS binding pre-incubated for 30 mins before CCL3 stimulation and followed by further incubation for 90 mins by scintillation counting method
50013182	1	ChEMBL_2082515 (CHEMBL4738306)	Inhibition of BRAF V600E mutant (unknown origin) using Ser/Thr 03 as substrate after 1 hr in presence of ATP by Z'-LYTE assay
50013182	2	ChEMBL_2082516 (CHEMBL4738307)	Inhibition of p38 alpha (unknown origin) using Ser/Thr 15 as substrate incubated for 1 hr in presence of ATP by Z'-Lyte assay
50013182	3	ChEMBL_2082526 (CHEMBL4738317)	Inhibition of BRAF V600E mutant (unknown origin) preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by HotSpot kinase assay
50013182	4	ChEMBL_2082527 (CHEMBL4738318)	Inhibition of BRAF V600E mutant (unknown origin)
50013182	5	ChEMBL_2082528 (CHEMBL4738319)	Inhibition of p38 alpha (unknown origin)
50013183	1	ChEMBL_2082532 (CHEMBL4738323)	Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by microbeta scintillation counting method
50013185	1	ChEMBL_2082541 (CHEMBL4738332)	Inhibition of Aquifex aeolicus MraY using UDP-MurNAc-pentapeptide as substrate measured after 5 mins by UMP-Glo glycosyltransferase assay
50013187	1	ChEMBL_2082565 (CHEMBL4738356)	Inhibition of Escherichia coli DNA gyrase using positively supercoiled pBR322 DNA as substrate incubated for 1 hr by based agarose gel electrophoresis method
50013188	1	ChEMBL_2082572 (CHEMBL4738363)	Binding affinity to recombinant human N-terminal GST-tagged HSP90-CTD by fluorescence spectroscopic analysis
50013192	1	ChEMBL_2082641 (CHEMBL4738432)	Agonist activity at human GPR119 stably transfected in CHO-K1 cells assessed as increase in cAMP stimulation after 1 hr by enzyme immunoassay
50013193	1	ChEMBL_2082777 (CHEMBL4738568)	Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-3FBE as substrate incubated for 24 hrs followed by substrate addition by luminescence based assay
50013193	2	ChEMBL_2082778 (CHEMBL4738569)	Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-BE as substrate incubated for 24 hrs followed by substrate addition by luminescence based assay
50013194	1	ChEMBL_2082795 (CHEMBL4738586)	Inhibition of human AChE assessed as decrease in enzyme activity incubated for 30 mins by Ellman's method
50013194	2	ChEMBL_2082806 (CHEMBL4738597)	Reactivation of VX-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013194	3	ChEMBL_2082807 (CHEMBL4738598)	Reactivation of paraoxon-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013194	4	ChEMBL_2082808 (CHEMBL4738599)	Reactivation of tabun-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013194	5	ChEMBL_2082809 (CHEMBL4738600)	Reactivation of sarin-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013194	6	ChEMBL_2082810 (CHEMBL4738601)	Reactivation of parathion-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013194	7	ChEMBL_2082811 (CHEMBL4738602)	Reactivation of dichlorvos-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's method
50013195	1	ChEMBL_2082824 (CHEMBL4738615)	Inhibition of CDK1/cyclin B1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	2	ChEMBL_2082825 (CHEMBL4738616)	Inhibition of CDK2/cyclin A2 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	3	ChEMBL_2082827 (CHEMBL4738618)	Inhibition of CDK3/cyclin E1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	4	ChEMBL_2082828 (CHEMBL4738619)	Inhibition of CDK4/cyclin D3 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	5	ChEMBL_2082829 (CHEMBL4738620)	Inhibition of CDK6/cyclin D3 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	6	ChEMBL_2082830 (CHEMBL4738621)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	7	ChEMBL_2082831 (CHEMBL4738622)	Inhibition of CDK9/cyclin T1 (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	8	ChEMBL_2082832 (CHEMBL4738623)	Inhibition of CDK12/cyclin K (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	9	ChEMBL_2082833 (CHEMBL4738624)	Inhibition of C-terminal His6-tagged human full length CDK1/N-terminal GST-tagged human full length cyclin B expressed in baculovirus infected Sf21 cells using histone H1 as substrate measured after 2 hrs in presence of ATP by radiometric filter-binding assay
50013195	10	ChEMBL_2082834 (CHEMBL4738625)	Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate measured after 4 hrs in presence of ATP by radiometric filter-binding assay
50013195	11	ChEMBL_2082835 (CHEMBL4738626)	Inhibition of CDK6/cyclin D3 (unknown origin) incubated for 30 mins in presence of ATP by fluorescence based analysis
50013195	12	ChEMBL_2082836 (CHEMBL4738627)	Inhibition of CDK3/cyclin E1 (unknown origin)
50013195	13	ChEMBL_2082837 (CHEMBL4738628)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin)
50013195	14	ChEMBL_2082838 (CHEMBL4738629)	Inhibition of CDK9/cyclin T1 (unknown origin)
50013195	15	ChEMBL_2082871 (CHEMBL4738662)	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method
50013195	16	ChEMBL_2082872 (CHEMBL4738663)	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method
50013195	17	ChEMBL_2082873 (CHEMBL4738664)	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method
50013195	18	ChEMBL_2082874 (CHEMBL4738665)	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method
50013195	19	ChEMBL_2082875 (CHEMBL4738666)	Inhibition of human CDK7/cyclin H (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	20	ChEMBL_2082876 (CHEMBL4738667)	Inhibition of human CDK4/cyclin D (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	21	ChEMBL_2082877 (CHEMBL4738668)	Inhibition of human CDK2/cyclin E (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addition by mobility shift assay
50013195	22	ChEMBL_2082878 (CHEMBL4738669)	Inhibition of CDK1/cyclin B (unknown origin)
50013195	23	ChEMBL_2082879 (CHEMBL4738670)	Inhibition of CDK2/cyclin A (unknown origin)
50013195	24	ChEMBL_2082880 (CHEMBL4738671)	Inhibition of CDK3/cyclin E (unknown origin)
50013195	25	ChEMBL_2082881 (CHEMBL4738672)	Inhibition of CDK9/cyclin T (unknown origin)
50013195	26	ChEMBL_2082882 (CHEMBL4738673)	Inhibition of recombinant human GST-tagged CDK1/cyclin B expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of ATP by scintillation counting method
50013195	27	ChEMBL_2082883 (CHEMBL4738674)	Inhibition of recombinant human GST-tagged CDK2/cyclin E expressed in Sf9 cells using histone 3S as substrate incubated for 10 mins in presence of ATP by scintillation counting method
50013196	1	ChEMBL_2082967 (CHEMBL4738758)	Inhibition of FGFR1 (unknown origin)
50013196	2	ChEMBL_2082968 (CHEMBL4738759)	Inhibition of FGFR4 (unknown origin)
50013196	3	ChEMBL_2082969 (CHEMBL4738760)	Inhibition of FGFR2 (unknown origin)
50013196	4	ChEMBL_2082970 (CHEMBL4738761)	Inhibition of FGFR3 (unknown origin)
50013198	1	ChEMBL_2083223 (CHEMBL4739014)	Inhibition of CLK1 (unknown origin) by NanoBRET cellular target engagement assay
50013198	2	ChEMBL_2083224 (CHEMBL4739015)	Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay
50013198	3	ChEMBL_2083225 (CHEMBL4739016)	Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay
50013198	4	ChEMBL_2083226 (CHEMBL4739017)	Inhibition of human full length recombinant CLK3 using ERMRPRKRQGSVR substrate by radiometric scintillation assay
50013198	5	ChEMBL_2083227 (CHEMBL4739018)	Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay
50013198	6	ChEMBL_2083228 (CHEMBL4739019)	Inhibition of human full length recombinant DYRK1A using RRRFRPASPLRGPP substrate by radiometric scintillation assay
50013198	7	ChEMBL_2083229 (CHEMBL4739020)	Inhibition of human full length recombinant DYRK1B using RRRFRPASPLRGPP substrate by radiometric scintillation assay
50013198	8	ChEMBL_2083230 (CHEMBL4739021)	Inhibition of human full length recombinant DYRK2 using casein substrate by radiometric scintillation assay
50013198	9	ChEMBL_2083231 (CHEMBL4739022)	Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay
50013198	10	ChEMBL_2083232 (CHEMBL4739023)	Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay
50013198	11	ChEMBL_2083233 (CHEMBL4739024)	Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scintillation assay
50013198	12	ChEMBL_2083235 (CHEMBL4739026)	Inhibition of CLK2 (unknown origin) by NanoBRET cellular target engagement assay
50013198	13	ChEMBL_2083236 (CHEMBL4739027)	Inhibition of CLK3 (unknown origin) by NanoBRET cellular target engagement assay
50013198	14	ChEMBL_2083237 (CHEMBL4739028)	Inhibition of CLK4 (unknown origin) by NanoBRET cellular target engagement assay
50013198	15	ChEMBL_2083238 (CHEMBL4739029)	Inhibition of DYRK1A (unknown origin) by NanoBRET cellular target engagement assay
50013198	16	ChEMBL_2083239 (CHEMBL4739030)	Inhibition of DYRK1B (unknown origin) by NanoBRET cellular target engagement assay
50013198	17	ChEMBL_2083240 (CHEMBL4739031)	Inhibition of DYRK2 (unknown origin) by NanoBRET cellular target engagement assay
50013198	18	ChEMBL_2083241 (CHEMBL4739032)	Inhibition of MLK1 (unknown origin) by NanoBRET cellular target engagement assay
50013198	19	ChEMBL_2083242 (CHEMBL4739033)	Inhibition of MLK2 (unknown origin) by NanoBRET cellular target engagement assay
50013198	20	ChEMBL_2083243 (CHEMBL4739034)	Inhibition of MLK3 (unknown origin) by NanoBRET cellular target engagement assay
50013198	21	ChEMBL_2083244 (CHEMBL4739035)	Inhibition of CDKL3 (unknown origin) by NanoBRET cellular target engagement assay
50013198	22	ChEMBL_2083246 (CHEMBL4739037)	Inhibition of human HIPK2 using NKRRRSPTPPE as substrate preincubated for 10 mins followed by substrate and [33P-ATP] addition by scintillation counting method
50013198	23	ChEMBL_2083247 (CHEMBL4739038)	Inhibition of HIPK2 (unknown origin) by selectscreen kinase assay
50013198	24	ChEMBL_2083248 (CHEMBL4739039)	Inhibition of HIPK1 (unknown origin)
50013198	25	ChEMBL_2083249 (CHEMBL4739040)	Inhibition of HIPK2 (unknown origin)
50013198	26	ChEMBL_2083250 (CHEMBL4739041)	Inhibition of HIPK3 (unknown origin)
50013198	27	ChEMBL_2083251 (CHEMBL4739042)	Inhibition of HIPK4 (unknown origin)
50013199	1	ChEMBL_2083255 (CHEMBL4739046)	Inhibition of 20S immunoproteasome beta 5 chymotrypsin-like activity in human H226 cell using Suc-LLVY-AMC as substrate for 10 mins by fluorescence based assay
50013199	2	ChEMBL_2083256 (CHEMBL4739047)	Inhibition of 20S immunoproteasome beta 2 trypsin-like activity in human H226 cell using Z-LRR-aminoluciferin as substrate for 10 mins by fluorescence based assay
50013199	3	ChEMBL_2083257 (CHEMBL4739048)	Inhibition of 20S immunoproteasome beta 1 caspase-like activity in human H226 cell using Z-nLPnLD-aminoluciferin as substrate for 10 mins by fluorescence based assay
50013200	1	ChEMBL_2083266 (CHEMBL4739057)	Inhibition of recombinant human carbonic anhydrase 1 pre-incubated for 10 mins by stopped flow CO2 hydrase assay
50013200	2	ChEMBL_2083267 (CHEMBL4739058)	Inhibition of recombinant human carbonic anhydrase 2 pre-incubated for 10 mins by stopped flow CO2 hydrase assay
50013200	3	ChEMBL_2083268 (CHEMBL4739059)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins by stopped flow CO2 hydrase assay
50013200	4	ChEMBL_2083269 (CHEMBL4739060)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins by stopped flow CO2 hydrase assay
50013200	5	ChEMBL_2083270 (CHEMBL4739061)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay
50013200	6	ChEMBL_2083271 (CHEMBL4739062)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 6 hrs at 24 degC by stopped flow CO2 hydrase assay
50013201	1	ChEMBL_2083272 (CHEMBL4739063)	Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-stimulated ATPase activity preincubated for 30 mins followed by addition of ATP and measured after 15 mins by luciferase-derived luminiscence assay
50013202	1	ChEMBL_2083391 (CHEMBL4739182)	Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counter method
50013202	2	ChEMBL_2083392 (CHEMBL4739183)	Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected Sf9 cells assessed as incoporation of [33]Pi after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counter method
50013203	1	ChEMBL_2083406 (CHEMBL4739197)	Inhibition of GST-tagged AXL (unknown origin) (464 to 485 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration measured after 180 mins by RapidFire LC-MS analysis
50013203	2	ChEMBL_2083407 (CHEMBL4739198)	Inhibition of 6His/thrombin cleavage site-fused Avi-tagged dephosphorylated MER (unknown origin) (R528 to M999 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration measured after 120 mins by RapidFire LC-MS analysis
50013203	3	ChEMBL_2083408 (CHEMBL4739199)	Inhibition of GST-tagged Tyro3 (unknown origin) (453 to 890 residues) using Axltide (KKSRGDYMTMQIG-acid) peptide as substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration measured after 180 mins by RapidFire LC-MS analysis
50013203	4	ChEMBL_2083409 (CHEMBL4739200)	Inhibition of His6/TEV fused-GST-tagged Flt3 (unknown origin) (H564 to S993 residues) using Axltide (CKKSRGDYMTMQJ-acid) peptide as substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration measured after 75 mins by RapidFire LC-MS analysis
50013203	5	ChEMBL_2083414 (CHEMBL4739205)	Inhibition of GST-tagged AXL (unknown origin) (464 to 485 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins followed by substrate and ATP addition at Km concentration measured after 40 mins by ADP-Glo Reagent based method
50013203	6	ChEMBL_2083415 (CHEMBL4739206)	Inhibition of His6/TEV fused-GST-tagged Flt3 (unknown origin) (H564 to S993 residues) using Axltide (CKKSRGDYMTMQJ-acid) peptide as substrate preincubated for 30 mins followed by substrate addition in presence of ATP and measured for 90 mins by ADP-Glo Reagent based method
50013204	1	ChEMBL_2083421 (CHEMBL4739212)	Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis
50013205	1	ChEMBL_2083431 (CHEMBL4739222)	Inhibition of CYP2C9 (unknown origin)
50013206	1	ChEMBL_2083505 (CHEMBL4739296)	Inhibition of CYP2C9 (unknown origin)
50013207	1	ChEMBL_2083515 (CHEMBL4739306)	Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 5 uM after 72 hrs in presence of cisplatin by MTT assay (Rvb = 4902.89 +/- 130.33 nM)
50013207	2	ChEMBL_2083516 (CHEMBL4739307)	Reversal of MRP2-mediated multidrug resistance in human KBV cells assessed as cisplatin IC50 at 10 uM after 72 hrs in presence of cisplatin by MTT assay (Rvb = 4902.89 +/- 130.33 nM)
50013207	3	ChEMBL_2083517 (CHEMBL4739308)	Reversal of BCRP-mediated multidrug resistance in human KBV cells assessed as mitoxantrone IC50 at 5 uM after 72 hrs in presence of mitoxantrone by MTT assay (Rvb = 1186.50 +/- 29.24 nM)
50013207	4	ChEMBL_2083518 (CHEMBL4739309)	Reversal of BCRP-mediated multidrug resistance in human KBV cells assessed as mitoxantrone IC50 at 10 uM after 72 hrs in presence of mitoxantrone by MTT assay (Rvb = 1186.50 +/- 29.24 nM)
50013208	1	ChEMBL_2083543 (CHEMBL4739334)	Inhibition of CDK2/cyclin E (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser
50013208	2	ChEMBL_2083545 (CHEMBL4739336)	Inhibition of CDK1/cyclin B (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser
50013208	3	ChEMBL_2083546 (CHEMBL4739337)	Inhibition of CDK2/cyclin A2 (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser
50013208	4	ChEMBL_2083548 (CHEMBL4739339)	Inhibition of CDK4/cyclin D1 (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser
50013208	5	ChEMBL_2083549 (CHEMBL4739340)	Inhibition of CDK9/cyclin T1 (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser
50013208	6	ChEMBL_2083550 (CHEMBL4739341)	Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gamma33P]ATP by image analyser
50013208	7	ChEMBL_2083551 (CHEMBL4739342)	Binding affinity to CDK2 (unknown origin) by isothermal titration calorimetry
50013209	1	ChEMBL_2083563 (CHEMBL4739354)	Inhibition of recombinant human N-terminal GST-tagged CK1delta (1 to 294 residues) using casein as substrate measured after 60 mins in presence of ATP by Kinase-Glo reagent-based luminescence assay
50013209	2	ChEMBL_2083575 (CHEMBL4739366)	Inhibition of recombinant human full-length N-terminal GST-tagged CK1delta using casein as substrate measured after 10 mins in presence of ATP by Kinase-Glo reagent-based luminescence assay
50013209	3	ChEMBL_2083577 (CHEMBL4739368)	Inhibition of full-length human CK1epsilon expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using PLSRTLpSVASLPGL as substrate incubated for 3 hrs in presence of ATP by Kinase-Glo luminescence assay
50013209	4	ChEMBL_2083578 (CHEMBL4739369)	Inhibition of full-length human CK1delta expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL competent cells using PLSRTLpSVASLPGL as substrate incubated for 3 hrs in presence of ATP by Kinase-Glo luminescence assay
50013209	5	ChEMBL_2083579 (CHEMBL4739370)	Inhibition of wild-type human CK1delta using PLSRTLpSVASLPGL as substrate incubated for 40 mins in presence of ATP by Kinase-Glo luminescence assay
50013209	6	ChEMBL_2083580 (CHEMBL4739371)	Inhibition of wild-type human CK1epsilon using PLSRTLpSVASLPGL as substrate incubated for 70 mins in presence of ATP by Kinase-Glo luminescence assay
50013211	1	ChEMBL_2083683 (CHEMBL4739474)	Inhibition of recombinant human ERG expressed in CHO cells incubated for 12 mins by whole cell voltage clamp method
50013211	2	ChEMBL_2083684 (CHEMBL4739475)	Inhibition of recombinant human Nav1.5alpha expressed in HEK293 cells incubated for 10 mins by voltage clamp method
50013212	1	ChEMBL_2083795 (CHEMBL4739586)	Inhibition of IRAK4 (unknown origin) using IPTSPITTTYFFFKKK peptide as substrate in presence of ATP measured after 60 mins by fluorescence assay
50013214	1	ChEMBL_2083816 (CHEMBL4739607)	Inhibition of recombinant human HPK1 expressed in baculovirus infected insect cells using SRKS1 peptide as substrate incubated for 15 mins followed by substrate addition and measured after 3 hrs by TR-FRET assay
50013215	1	ChEMBL_2083836 (CHEMBL4739627)	Binding affinity to human Biotin-Avi-P300 assessed as dissociation constant using Neutravidin as ligand measured by Surface Plasmon Resonance method
50013215	2	ChEMBL_2083838 (CHEMBL4739629)	Binding affinity to human Biotin-Avi-P300 using Neutravidin as ligand measured by Surface Plasmon Resonance method
50013217	1	ChEMBL_2083840 (CHEMBL4739631)	Antagonist activity at PD1/PD-L1 (unknown origin) assessed as disruption of PD-1/PD-L1 complex by measuring PD-L1 dimerization measured after 2 hrs by HTRF assay
50013217	2	ChEMBL_2083842 (CHEMBL4739633)	Antagonist activity at human C-terminal His-tagged PD-L1 (18 to 239 residues)/human C-terminal IgG epitope-tagged PD1 (25 to 167 residues) expressed in HEK293 cells incubated for 15 mins by HTRF assay
50013217	3	ChEMBL_2083843 (CHEMBL4739634)	Antagonist activity at human PD1/PD-L1 preincubated with PD-L1 for 1 hr followed by incubation with PD1 for 1 hr by ELISA
50013217	4	ChEMBL_2083844 (CHEMBL4739635)	Antagonist activity at PD1/PD-L1 (unknown origin)
50013218	1	ChEMBL_2084241 (CHEMBL4765504)	Agonist activity at human TLR8 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as induction of NFkappaB activation by quanti-blue SEAP reporter gene-based spectrophotometric method
50013218	2	ChEMBL_2084262 (CHEMBL4765525)	Inhibition of human TLR2 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as inhibition of Pam2CS-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	3	ChEMBL_2084263 (CHEMBL4765526)	Inhibition of human TLR3 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of poly(I/C)-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	4	ChEMBL_2084264 (CHEMBL4765527)	Inhibition of human TLR4 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of LPS-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	5	ChEMBL_2084265 (CHEMBL4765528)	Inhibition of human TLR5 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of flagellin-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	6	ChEMBL_2084266 (CHEMBL4765529)	Inhibition of human TLR7 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of imidazoquinoline-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	7	ChEMBL_2084267 (CHEMBL4765530)	Inhibition of human TLR9 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as assessed as inhibition of ODN2006-induced NF-kappaB activation by quanti-blue SEAP reporter gene based spectrophotometric method
50013218	8	ChEMBL_2084281 (CHEMBL4765544)	Inhibition of wild-type human CAMK1alpha using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	9	ChEMBL_2084282 (CHEMBL4765545)	Inhibition of wild-type human CAMK1beta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	10	ChEMBL_2084283 (CHEMBL4765546)	Inhibition of wild-type human CAMK1delta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	11	ChEMBL_2084284 (CHEMBL4765547)	Inhibition of wild-type human CAMK1gamma using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	12	ChEMBL_2084285 (CHEMBL4765548)	Inhibition of wild-type human CAMK2alpha using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	13	ChEMBL_2084286 (CHEMBL4765549)	Inhibition of wild-type human CAMK2beta using KKALRRQETVDAL peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	14	ChEMBL_2084287 (CHEMBL4765550)	Inhibition of wild-type human CAMK2delta using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	15	ChEMBL_2084288 (CHEMBL4765551)	Inhibition of wild-type human CAMK2gamma using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	16	ChEMBL_2084289 (CHEMBL4765552)	Inhibition of wild-type human CAMK4 using KKLNRTLSFAEPG peptide as substrate in presence of Ca2+ calmodulin and [gamma-33P]-ATP by radiometric hotspot kinase assay
50013218	17	ChEMBL_2084290 (CHEMBL4765553)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced TNFalpha production incubated for 16 hrs by immunoassay
50013218	18	ChEMBL_2084291 (CHEMBL4765554)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL-6 production incubated for 16 hrs by immunoassay
50013218	19	ChEMBL_2084292 (CHEMBL4765555)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL-8 production incubated for 16 hrs by immunoassay
50013218	20	ChEMBL_2084293 (CHEMBL4765556)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IFNgamma production incubated for 16 hrs by immunoassay
50013218	21	ChEMBL_2084294 (CHEMBL4765557)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced IL12 p40 production incubated for 16 hrs by immunoassay
50013218	22	ChEMBL_2084295 (CHEMBL4765558)	Antagonist activity at TLR8 in human PBMC cells assessed as inhibition of compound 1f-induced MCP1 production incubated for 16 hrs by immunoassay
50013218	23	ChEMBL_2084304 (CHEMBL4765567)	Inhibition of TLR8 in human CD14-positive monocytes cells in presence of TLR7 stimulus
50013218	24	ChEMBL_2084305 (CHEMBL4765568)	Inhibition of TLR8 in human CD14-positive monocytes cells in presence of TLR4 stimulus
50013218	25	ChEMBL_2084308 (CHEMBL4765571)	Agonist activity at at human TLR8 stably expressed in HEK293 cells cotransfected with secreted alkaline phosphatase assessed as induction of NFkappaB activation by quanti-blue SEAP reporter gene-based spectrophotometric method relative to parent compound
50013219	1	ChEMBL_2084321 (CHEMBL4765584)	Inhibition of MAGL (unknown origin)
50013219	2	ChEMBL_2084322 (CHEMBL4765585)	Inhibition of human MAGL transfected in human HEK293T cells assessed as reduction in ABPP binding by competitive binding assay
50013219	3	ChEMBL_2084323 (CHEMBL4765586)	Inhibition of human MAGL
50013219	4	ChEMBL_2084324 (CHEMBL4765587)	Inhibition of human MAGL using 4-Nitrophenylacetate as substrate
50013222	1	ChEMBL_2084448 (CHEMBL4765711)	Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfected with pFA2-Elk plasmid and pFR-luciferase plasmid measured for 18 hrs by luciferase reporter gene assay
50013222	2	ChEMBL_2084449 (CHEMBL4765712)	Inhibition of GAL4 fused TrkB (unknown origin) expressed in MG87 cells transfected with pFA2-Elk plasmid and pFR-luciferase plasmid measured for 18 hrs by luciferase reporter gene assay
50013222	3	ChEMBL_2084450 (CHEMBL4765713)	Inhibition of TrkA (unknown origin)
50013222	4	ChEMBL_2084451 (CHEMBL4765714)	Inhibition of TrkB (unknown origin)
50013222	5	ChEMBL_2084452 (CHEMBL4765715)	Inhibition of TrkC (unknown origin)
50013222	6	ChEMBL_2084555 (CHEMBL4765818)	Inhibition of GST-fused TrkA (unknown origin) expressed in SF9 cells using H2N-RRRAAAEEIYGEINH2 peptide as substrate preincubated with ATP and Mg and measured by microtiter plate reader analysis
50013223	1	ChEMBL_2084618 (CHEMBL4765881)	Inhibition of human full length PI3K p110delta/p85alpha using phosphatidylinositol 3,4,5-trisphosphate as substrate measured after 30 mins by TR-FRET assay
50013223	2	ChEMBL_2084619 (CHEMBL4765882)	Inhibition of human full length PI3K p110alpha/p85alpha using phosphatidylinositol 3,4,5-trisphosphate as substrate measured after 30 mins by TR-FRET assay
50013223	3	ChEMBL_2084620 (CHEMBL4765883)	Inhibition of recombinant human full-length N-terminal His-tagged PI3K p110beta/p85alpha using phosphatidylinositol 3,4,5-trisphosphate as substrate measured after 30 mins by TR-FRET assay
50013223	4	ChEMBL_2084621 (CHEMBL4765884)	Inhibition of human full length PI3K p110gamma using phosphatidylinositol 3,4,5-trisphosphate as substrate measured after 30 mins by TR-FRET assay
50013223	5	ChEMBL_2084624 (CHEMBL4765887)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins followed by anti-FCepsilonR1 mAb stimulation and measured after 25 mins by flow cytometry analysis
50013223	6	ChEMBL_2084637 (CHEMBL4765900)	Inhibition of PI3K p110delta in human basophil assessed as reduction in anti-FCepsilonR1 mAb-stimulated basophil activation preincubated for 60 mins followed by anti-FCepsilonR1 mAb stimulation and measured after 25 mins by flow cytometry analysis
50013223	7	ChEMBL_2084638 (CHEMBL4765901)	Inhibition of PI3K p110alpha in mouse embryonic fibroblast cells assessed as reduction in PDGF-induced AKT phosphorylation at S473 residue preincubated for 2 hrs followed by PDGF stimulation and measured after 10 mins
50013223	8	ChEMBL_2084639 (CHEMBL4765902)	Inhibition of PI3K p110beta in human PC-3 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 2 hrs by TR-FRET analysis
50013223	9	ChEMBL_2084640 (CHEMBL4765903)	Inhibition of PI3K p110gamma in human basophil assessed as reduction in fMLP-induced basophil activation by flow cytometry analysis
50013223	10	ChEMBL_2084641 (CHEMBL4765904)	Inhibition of PI3K p110delta in human basophil assessed as reduction in anti-FCepsilonR1 mAb-induced basophil activation preincubated for 60 mins followed by anti-FCepsilonR1 mAb stimulation and measured after 25 mins in presence of 25% serum by flow cytometry analysis
50013223	11	ChEMBL_2084642 (CHEMBL4765905)	Inhibition of PI3K p110gamma in human basophil assessed as reduction in fMLP-induced basophil activation in presence of 25% serum by flow cytometry analysis
50013223	12	ChEMBL_2084667 (CHEMBL4765930)	Inhibition of PI3Kdelta in human whole blood assessed as inhibition of BCR-induced B-cell activation
50013229	1	ChEMBL_2084693 (CHEMBL4765956)	Inhibition of NaV1.4 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	2	ChEMBL_2084694 (CHEMBL4765957)	Inhibition of NaV1.6 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	3	ChEMBL_2084700 (CHEMBL4765963)	Inhibition of CYP2C9 (unknown origin)
50013229	4	ChEMBL_2084714 (CHEMBL4765977)	Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at -120 mV resting membrane potential by electrophysiology assay
50013229	5	ChEMBL_2084715 (CHEMBL4765978)	Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at -80 mV resting membrane potential by electrophysiology assay
50013229	6	ChEMBL_2084721 (CHEMBL4765984)	Inhibition of NaV1.1 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	7	ChEMBL_2084722 (CHEMBL4765985)	Inhibition of NaV1.2 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	8	ChEMBL_2084723 (CHEMBL4765986)	Inhibition of NaV1.3 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	9	ChEMBL_2084724 (CHEMBL4765987)	Inhibition of NaV1.4 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	10	ChEMBL_2084725 (CHEMBL4765988)	Inhibition of NaV1.6 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	11	ChEMBL_2084726 (CHEMBL4765989)	Inhibition of NaV1.7 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	12	ChEMBL_2084727 (CHEMBL4765990)	Inhibition of NaV1.8 (unknown origin) at 10 Hz frequency by whole cell manual patch clamp technique
50013229	13	ChEMBL_2084728 (CHEMBL4765991)	Inhibition of NaV1.1 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	14	ChEMBL_2084729 (CHEMBL4765992)	Inhibition of NaV1.2 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	15	ChEMBL_2084730 (CHEMBL4765993)	Inhibition of NaV1.3 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	16	ChEMBL_2084731 (CHEMBL4765994)	Inhibition of NaV1.7 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	17	ChEMBL_2084732 (CHEMBL4765995)	Inhibition of NaV1.8 (unknown origin) at 25 Hz frequency by whole cell manual patch clamp technique
50013229	18	ChEMBL_2084733 (CHEMBL4765996)	Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 0.1 Hz frequency by manual patch clamp technique
50013229	19	ChEMBL_2084734 (CHEMBL4765997)	Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 1 Hz frequency by manual patch clamp technique
50013229	20	ChEMBL_2084735 (CHEMBL4765998)	Inhibition of NaV1.5 expressed in human HEK293 cells assessed as inhibition of late sodium current at 3 Hz frequency by manual patch clamp technique
50013229	21	ChEMBL_2084737 (CHEMBL4766000)	Inhibition of human ERG expressed stably in CHO cells by manual patch clamp technique
50013229	22	ChEMBL_2084759 (CHEMBL4766022)	Inhibition of CYP3A4 (unknown origin)
50013229	23	ChEMBL_2084760 (CHEMBL4766023)	Inhibition of CYP2D6 (unknown origin)
50013229	24	ChEMBL_2084761 (CHEMBL4766024)	Inhibition of CYP2C8 (unknown origin)
50013229	25	ChEMBL_2084763 (CHEMBL4766026)	Inhibition of CYP2C19 (unknown origin)
50013229	26	ChEMBL_2084764 (CHEMBL4766027)	Inhibition of CYP2B6 (unknown origin)
50013230	1	ChEMBL_2084785 (CHEMBL4766048)	Inhibition of wild-type EZH2 in PRC2 complex (unknown origin) using RKQLATKAARK(Me3)SAPATGGVKKP-NH2 peptide substrate preincubated for 30 mins followed by addition of [3H]-SAM measured after 2 hrs by Topcount scintillation proximity assay
50013230	2	ChEMBL_2084786 (CHEMBL4766049)	Inhibition of EZH2 Y641F mutant in PRC2 complex (unknown origin) using RKQLATKAARK(Me3)SAPATGGVKKP-NH2 peptide substrate preincubated for 30 mins followed by addition of [3H]-SAM measured after 2 hrs by Topcount scintillation proximity assay
50013230	3	ChEMBL_2084787 (CHEMBL4766050)	Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation of H3K27 after 72 hrs by AlphaLISA assay
50013230	4	ChEMBL_2084846 (CHEMBL4766109)	Inhibition of EZH1 (unknown origin)
50013230	5	ChEMBL_2084852 (CHEMBL4766115)	Binding affinity to human ERG
50013233	1	ChEMBL_2084866 (CHEMBL4766129)	Inhibition of human full length recombinant Src using Cdc2 peptide as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	2	ChEMBL_2084867 (CHEMBL4766130)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated Qpatch electrophysiological assay
50013233	3	ChEMBL_2084880 (CHEMBL4766143)	Inhibition of human full length recombinant YES using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	4	ChEMBL_2084881 (CHEMBL4766144)	Inhibition of human HCK (230 to 497 residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	5	ChEMBL_2084882 (CHEMBL4766145)	Inhibition of human full length recombinant LYN using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	6	ChEMBL_2084883 (CHEMBL4766146)	Inhibition of human full length recombinant FYN using Cdc2 peptide as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	7	ChEMBL_2084884 (CHEMBL4766147)	Inhibition of human full length recombinant LCK using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	8	ChEMBL_2084885 (CHEMBL4766148)	Inhibition of human full length recombinant BLK M287V mutant using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	9	ChEMBL_2084886 (CHEMBL4766149)	Inhibition of human recombinant PTK5 (218 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	10	ChEMBL_2084887 (CHEMBL4766150)	Inhibition of human full length recombinant BRK using poly (Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	11	ChEMBL_2084888 (CHEMBL4766151)	Inhibition of human recombinant ABL (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	12	ChEMBL_2084889 (CHEMBL4766152)	Inhibition of human recombinant ABL T315I mutant (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	13	ChEMBL_2084890 (CHEMBL4766153)	Inhibition of human recombinant ARG (38 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	14	ChEMBL_2084891 (CHEMBL4766154)	Inhibition of human recombinant FLT1 (783 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	15	ChEMBL_2084893 (CHEMBL4766156)	Inhibition of human recombinant KDR (790 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	16	ChEMBL_2084895 (CHEMBL4766158)	Inhibition of human recombinant DDR2 S642A mutant (467 to end residues) using KKSRGDYMTMQIG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	17	ChEMBL_2084896 (CHEMBL4766159)	Inhibition of human recombinant RET (658 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	18	ChEMBL_2084897 (CHEMBL4766160)	Inhibition of human recombinant TXK (256 to end residues) using GEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	19	ChEMBL_2084898 (CHEMBL4766161)	Inhibition of human full length recombinant BMX using poly (Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	20	ChEMBL_2084899 (CHEMBL4766162)	Inhibition of human recombinant FGFR1 (456 to 765 residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	21	ChEMBL_2084900 (CHEMBL4766163)	Inhibition of human recombinant FGFR2 N549H mutant (456 to 770 residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	22	ChEMBL_2084901 (CHEMBL4766164)	Inhibition of human recombinant FGFR3 (447 to 761 residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	23	ChEMBL_2084902 (CHEMBL4766165)	Inhibition of human recombinant ERBB2 G778D mutant (676 to end residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	24	ChEMBL_2084903 (CHEMBL4766166)	Inhibition of human recombinant ERBB4 (706 to 991 residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	25	ChEMBL_2084904 (CHEMBL4766167)	Inhibition of human recombinant EGFR (696 to end residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	26	ChEMBL_2084906 (CHEMBL4766169)	Inhibition of human recombinant EGFR T790M mutant (696 to end residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	27	ChEMBL_2084907 (CHEMBL4766170)	Inhibition of human full length recombinant CSK using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	28	ChEMBL_2084908 (CHEMBL4766171)	Inhibition of human recombinant TIE2 Q939H/Q940H mutant (771 to end residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	29	ChEMBL_2084909 (CHEMBL4766172)	Inhibition of human full length recombinant PYK2 using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	30	ChEMBL_2084910 (CHEMBL4766173)	Inhibition of human recombinant B-Raf (416 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	31	ChEMBL_2084911 (CHEMBL4766174)	Inhibition of human recombinant B-RAF V600E mutant
50013233	32	ChEMBL_2084912 (CHEMBL4766175)	Inhibition of human recombinant c-RAF Y340D/Y341D mutant (306 to end residues) using inactive MEK1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	33	ChEMBL_2084913 (CHEMBL4766176)	Inhibition of human recombinant TAK1 (1 to 313 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	34	ChEMBL_2084914 (CHEMBL4766177)	Inhibition of human recombinant ACK1 (1 to 389 residues) using EFPIYDFLPAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	35	ChEMBL_2084916 (CHEMBL4766179)	Inhibition of human recombinant RSE (451 to end residues) using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	36	ChEMBL_2084917 (CHEMBL4766180)	Inhibition of human full length recombinant p38alpha using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	37	ChEMBL_2084918 (CHEMBL4766181)	Inhibition of human full length recombinant p38beta using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	38	ChEMBL_2084920 (CHEMBL4766183)	Inhibition of human recombinant EPHA7 (613 to 909 residues) using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	39	ChEMBL_2084921 (CHEMBL4766184)	Inhibition of human recombinant EPHA4 (601 to 892 residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	40	ChEMBL_2084922 (CHEMBL4766185)	Inhibition of human recombinant LIMK1 (285 to 638 residues) using cofilin as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	41	ChEMBL_2084923 (CHEMBL4766186)	Inhibition of human full length recombinant RSK1 using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	42	ChEMBL_2084924 (CHEMBL4766187)	Inhibition of human recombinant RSK2 (2 to end residues) using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	43	ChEMBL_2084925 (CHEMBL4766188)	Inhibition of human recombinant PDGFRalpha (550 to end residues) using poly(Glu, Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	44	ChEMBL_2084926 (CHEMBL4766189)	Inhibition of human recombinant PDGFRbeta (557 to end residues) using poly(Glu, Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	45	ChEMBL_2084927 (CHEMBL4766190)	Inhibition of human full length recombinant ERK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	46	ChEMBL_2084928 (CHEMBL4766191)	Inhibition of human recombinant TRKA (440 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	47	ChEMBL_2084929 (CHEMBL4766192)	Inhibition of human recombinant TRKB (455 to end residues) using poly(Glu,Tyr)4:1 as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013233	48	ChEMBL_2084965 (CHEMBL4766228)	Inhibition of Src in human MDA-MB-231 cells assessed as reduction in phosphorylation of Src incubated for 20 hrs by Western blot analysis
50013234	1	ChEMBL_2085007 (CHEMBL4766270)	Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillation counting method
50013234	2	ChEMBL_2085008 (CHEMBL4766271)	Agonist activity at human recombinant full length GPR40 overexpressed in human HEK293 cells assessed as increase in intracellular calcium level measured over 3 mins by calcium 4 dye based FLIPR assay
50013234	3	ChEMBL_2085010 (CHEMBL4766273)	Agonist activity at human recombinant full-length Prolink-tagged GPR40 fused with EA-tagged beta-arrestin expressed in human HEK293 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50013234	4	ChEMBL_2085012 (CHEMBL4766275)	Agonist activity at Prolink-tagged mouse GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50013234	5	ChEMBL_2085014 (CHEMBL4766277)	Agonist activity at Prolink-tagged rat GPR40 fused with EA-tagged beta-arrestin expressed in human U2OS cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay
50013234	6	ChEMBL_2085016 (CHEMBL4766279)	Agonist activity at human recombinant full length GPR40 overexpressed in human HEK293 cells assessed as increase in inositol phosphate accumulation in presence of terbium cryptate-labeled anti IP1/d2-labelled IP1 measured after 120 mins by HTRF assay
50013234	7	ChEMBL_2085018 (CHEMBL4766281)	Displacement of [3H]-(S)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)biphenyl-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid from human recombinant full-length GPR40 expressed in human HEK293 cell membrane assessed as dissociation constant measured after 2 hrs by radioligand competitive assay
50013234	8	ChEMBL_2085023 (CHEMBL4766286)	Inhibition of human ERG
50013234	9	ChEMBL_2085048 (CHEMBL4766311)	Agonist activity at human Gal4-fused PPARalpha LBD expressed in African green monkey CV1 cells cotransfected with pRL-SV40 plasmid measured after 24 hrs by luciferase reporter gene assay
50013234	10	ChEMBL_2085050 (CHEMBL4766313)	Agonist activity at human Gal4-fused PPARdelta LBD expressed in African green monkey CV1 cells cotransfected with pRL-SV40 plasmid measured after 24 hrs by luciferase reporter gene assay
50013234	11	ChEMBL_2085052 (CHEMBL4766315)	Agonist activity at human CMV-fused PPARgamma LBD/RXRalpha (unknown origin) expressed in African green monkey CV1 cells transfected with luciferase plasmid measured after 24 hrs by luciferase reporter gene assay
50013236	1	ChEMBL_2085159 (CHEMBL4766422)	Inhibition of FLAG-tagged full-length HIF-PHD2 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotinyl-DLDLEMLAPYIPMDDDFQL as peptide substrates preincubated for 30 mins followed by substrate addition and measured after 2 hrs by LANCE assay
50013236	2	ChEMBL_2085165 (CHEMBL4766428)	Inhibition of human ERG
50013236	3	ChEMBL_2085190 (CHEMBL4766453)	Inhibition of FLAG-tagged full-length HIF-PHD1 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotinyl-DLDLEMLAPYIPMDDDFQL as peptide substrates preincubated for 30 mins followed by substrate addition and measured after 2 hrs by LANCE assay
50013236	4	ChEMBL_2085191 (CHEMBL4766454)	Inhibition of FLAG-tagged full-length HIF-PHD3 (unknown origin) expressed in baculovirus infected Sf9 cells using 2-oxoglutarate and HIF1alpha biotinyl-DLDLEMLAPYIPMDDDFQL as peptide substrates preincubated for 30 mins followed by substrate addition and measured after 2 hrs by LANCE assay
50013236	5	ChEMBL_2085192 (CHEMBL4766455)	Inhibition of CYP1A2 (unknown origin)
50013236	6	ChEMBL_2085193 (CHEMBL4766456)	Inhibition of CYP3A4 (unknown origin)
50013236	7	ChEMBL_2085194 (CHEMBL4766457)	Inhibition of CYP2B6 (unknown origin)
50013236	8	ChEMBL_2085195 (CHEMBL4766458)	Inhibition of CYP2C9 (unknown origin)
50013236	9	ChEMBL_2085196 (CHEMBL4766459)	Inhibition of CYP2C19 (unknown origin)
50013236	10	ChEMBL_2085197 (CHEMBL4766460)	Inhibition of CYP2D6 (unknown origin)
50013236	11	ChEMBL_2085198 (CHEMBL4766461)	Reversible inhibition of CYP2C8 (unknown origin)
50013236	12	ChEMBL_2085235 (CHEMBL4766498)	Inhibition of HIF-PHD2 (unknown origin)
50013237	1	ChEMBL_2085408 (CHEMBL4766671)	Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by [gamma-33P]-ATP assay
50013237	2	ChEMBL_2085409 (CHEMBL4766672)	Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by [gamma-33P]-ATP assay
50013237	3	ChEMBL_2085410 (CHEMBL4766673)	Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by [gamma-33P]-ATP assay
50013237	4	ChEMBL_2085734 (CHEMBL4766997)	Inhibition of recombinant full length human Aurora B using AKRRRLSSLRA as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	5	ChEMBL_2085735 (CHEMBL4766998)	Inhibition of recombinant full length human B-Raf (416 to end residues) using myelin basic protein substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	6	ChEMBL_2085736 (CHEMBL4766999)	Inhibition of recombinant full length human CDK4/CyclinD3 using Rb fragment as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	7	ChEMBL_2085737 (CHEMBL4767000)	Inhibition of recombinant human CK1delta (1 to 294 residues) using KRRRALS(p)VASLPGL as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	8	ChEMBL_2085738 (CHEMBL4767001)	Inhibition of recombinant human C-Raf (306 to end residues) poly(Glu, Tyr) 4:1 as substrate incubated 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	9	ChEMBL_2085739 (CHEMBL4767002)	Inhibition of recombinant human EphA2 (596 to 900 residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	10	ChEMBL_2085740 (CHEMBL4767003)	Inhibition of recombinant human EphA7 (613 to 909 residues) using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	11	ChEMBL_2085741 (CHEMBL4767004)	Inhibition of recombinant human EphB1 (564 to end residues) using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	12	ChEMBL_2085742 (CHEMBL4767005)	Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	13	ChEMBL_2085743 (CHEMBL4767006)	Inhibition of recombinant human FLT4 (800 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	14	ChEMBL_2085744 (CHEMBL4767007)	Inhibition of human HCK (230 to 497 residues) using KVEKIGEGTYGVVYK as substrate after 40 mins by [gamma-33ATP] radiometric assay
50013237	15	ChEMBL_2085745 (CHEMBL4767008)	Inhibition of human IRAK1 (194 to end residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50013237	16	ChEMBL_2085746 (CHEMBL4767009)	Inhibition of human KDR (790 to end residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50013237	17	ChEMBL_2085747 (CHEMBL4767010)	Inhibition of recombinant human MER (557 to 882 residues) using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33ATP by scintillation counting based radiometry assay
50013237	18	ChEMBL_2085748 (CHEMBL4767011)	Inhibition of recombinant human MAP4K5 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by scintillation counting based radiometry assay
50013237	19	ChEMBL_2085749 (CHEMBL4767012)	Inhibition of human PDGFRbeta (557 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	20	ChEMBL_2085750 (CHEMBL4767013)	Inhibition of human PDGFRalpha (550 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	21	ChEMBL_2085751 (CHEMBL4767014)	Inhibition of recombinant human full length SAPK2b using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	22	ChEMBL_2085752 (CHEMBL4767015)	Inhibition of recombinant human full length SAPK4 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	23	ChEMBL_2085753 (CHEMBL4767016)	Inhibition of recombinant human TAO2 (1 to 320 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	24	ChEMBL_2085754 (CHEMBL4767017)	Inhibition of recombinant human TRKA (440 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	25	ChEMBL_2085755 (CHEMBL4767018)	Inhibition of recombinant human TRKC (510 to end residues) using GEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	26	ChEMBL_2085756 (CHEMBL4767019)	Inhibition of recombinant human WNK3 (1 to 434 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	27	ChEMBL_2085757 (CHEMBL4767020)	Inhibition of recombinant human Axl (473 to end residues) using KKSRGDYMTMQIG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	28	ChEMBL_2085758 (CHEMBL4767021)	Inhibition of recombinant full length human BLK using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	29	ChEMBL_2085759 (CHEMBL4767022)	Inhibition of recombinant full length human CDK9/cyclinT1 using KTFCGTPEYLAPE as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	30	ChEMBL_2085760 (CHEMBL4767023)	Inhibition of recombinant human C-Kit using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	31	ChEMBL_2085761 (CHEMBL4767024)	Inhibition of recombinant human DDR2 (467 to end residues) using KKSRGDYMTMQIG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	32	ChEMBL_2085762 (CHEMBL4767025)	Inhibition of recombinant human EphA3 (578 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	33	ChEMBL_2085763 (CHEMBL4767026)	Inhibition of recombinant human EphB2 (560 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	34	ChEMBL_2085764 (CHEMBL4767027)	Inhibition of recombinant human FGFR1 (456 to 765 residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	35	ChEMBL_2085765 (CHEMBL4767028)	Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	36	ChEMBL_2085766 (CHEMBL4767029)	Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	37	ChEMBL_2085767 (CHEMBL4767030)	Inhibition of human HIPK4 using RRRFRPASPLRGPPK as substrate after 40 mins by [gamma-33ATP] radiometric assay
50013237	38	ChEMBL_2085768 (CHEMBL4767031)	Inhibition of human ITK (352 to 617 residues) using myelin basic protein as substrate after 40 mins by [gamma-33ATP] radiometric assay
50013237	39	ChEMBL_2085769 (CHEMBL4767032)	Inhibition of recombinant human Lyn using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013237	40	ChEMBL_2085770 (CHEMBL4767033)	Inhibition of recombinant human MNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP by scintillation counting based radiometry assay
50013237	41	ChEMBL_2085771 (CHEMBL4767034)	Inhibition of recombinant human NEK9 (1 to 324 residues) using myelin basic protein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	42	ChEMBL_2085772 (CHEMBL4767035)	Inhibition of recombinant human PTK5 (218 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	43	ChEMBL_2085773 (CHEMBL4767036)	Inhibition of recombinant human Ron (983 to end residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	44	ChEMBL_2085774 (CHEMBL4767037)	Inhibition of recombinant human full length SAPK3 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	45	ChEMBL_2085775 (CHEMBL4767038)	Inhibition of recombinant human TAK1 (1 to 303 residues) using casein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	46	ChEMBL_2085776 (CHEMBL4767039)	Inhibition of recombinant human TIE2 (771 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	47	ChEMBL_2085777 (CHEMBL4767040)	Inhibition of recombinant human TRKB (455 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	48	ChEMBL_2085778 (CHEMBL4767041)	Inhibition of human TNIK (1 to 367 residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013237	49	ChEMBL_2085779 (CHEMBL4767042)	Inhibition of recombinant full-length human ZAK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013238	1	ChEMBL_2085781 (CHEMBL4767044)	Inhibition of HYSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH binding to recombinant human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21 (DE3) cells measured after 2 hrs by Alphascreen assay
50013238	2	ChEMBL_2085782 (CHEMBL4767045)	Binding affinity to human recombinant His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant incubated for 1 hr by isothermal titration calorimetry
50013238	3	ChEMBL_2085832 (CHEMBL4767095)	Inhibition of BRD4 bromodomain 1 (unknown origin) by fluorescence polarization assay
50013239	1	ChEMBL_2085838 (CHEMBL4767101)	Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta scintillation counting method
50013239	2	ChEMBL_2085845 (CHEMBL4767108)	Displacement of [3H]-N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta scintillation counting method
50013239	3	ChEMBL_2085853 (CHEMBL4767116)	Displacement of [3H]BRL 43694 from human recombinant 5-HT3 receptor after 120 mins by scintillation counting analysis
50013239	4	ChEMBL_2085857 (CHEMBL4767120)	Displacement of [3H]-histamine from recombinant mouse histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta scintillation counting method
50013239	5	ChEMBL_2085858 (CHEMBL4767121)	Antagonist activity at recombinant human histamine H4 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine induced stimulation of [35S]-GTPgammaS binding by scintillation proximity assay
50013239	6	ChEMBL_2085859 (CHEMBL4767122)	Antagonist activity at recombinant mouse histamine H4 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine induced stimulation of [35S]-GTPgammaS binding by scintillation proximity assay
50013241	1	ChEMBL_2085953 (CHEMBL4767216)	Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysis
50013241	2	ChEMBL_2085955 (CHEMBL4767218)	Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of cAMP accumulation incubated for 10 mins by HTRF assay
50013241	3	ChEMBL_2085957 (CHEMBL4767220)	Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
50013241	4	ChEMBL_2085959 (CHEMBL4767222)	Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
50013241	5	ChEMBL_2085961 (CHEMBL4767224)	Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
50013241	6	ChEMBL_2085963 (CHEMBL4767226)	Agonist activity at human recombinant S1P3 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
50013241	7	ChEMBL_2085964 (CHEMBL4767227)	Agonist activity at human recombinant S1P4 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
50013241	8	ChEMBL_2085965 (CHEMBL4767228)	Agonist activity at human recombinant S1P5 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
50013241	9	ChEMBL_2085987 (CHEMBL4767250)	Inhibition of CYP1A2 (unknown origin)
50013241	10	ChEMBL_2085988 (CHEMBL4767251)	Inhibition of CYP2B6 (unknown origin)
50013241	11	ChEMBL_2085989 (CHEMBL4767252)	Inhibition of CYP2C9 (unknown origin)
50013241	12	ChEMBL_2085990 (CHEMBL4767253)	Inhibition of CYP2C19 (unknown origin)
50013241	13	ChEMBL_2085991 (CHEMBL4767254)	Inhibition of CYP2D6 (unknown origin)
50013241	14	ChEMBL_2085992 (CHEMBL4767255)	Inhibition of CYP3A4 (unknown origin)
50013241	15	ChEMBL_2085993 (CHEMBL4767256)	Inhibition of CYP2C8 (unknown origin)
50013242	1	ChEMBL_2086137 (CHEMBL4767400)	Inhibition of human recombinant GST-tagged PARP-1 expressed in Escherichia coli assessed as reduction in NAD+-dependent ADP ribosylation incubated for 30 mins in presence and NAD by resazurin dye based fluorescence analysis
50013242	2	ChEMBL_2086138 (CHEMBL4767401)	Inhibition of human recombinant N-terminal GST-tagged PARP-2 expressed in Baculovirus infected Sf9 cells assessed as reduction in NAD+-dependent ADP ribosylation using histone mixture (H2A and H2B) as substrate in presence of activated DNA incubated for 30 mins by chemiluminescence assay
50013243	1	ChEMBL_2086256 (CHEMBL4767519)	Inhibition of PAK1 (unknown origin)
50013243	2	ChEMBL_2086257 (CHEMBL4767520)	Inhibition of PAK4 (unknown origin)
50013244	1	ChEMBL_2086295 (CHEMBL4767558)	Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation method
50013244	2	ChEMBL_2086296 (CHEMBL4767559)	Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation method
50013244	3	ChEMBL_2086297 (CHEMBL4767560)	Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation method
50013244	4	ChEMBL_2086311 (CHEMBL4767574)	Inhibition of mouse GTA 1 receptor
50013244	5	ChEMBL_2086312 (CHEMBL4767575)	Inhibition of mouse GTA 2 receptor
50013244	6	ChEMBL_2086313 (CHEMBL4767576)	Inhibition of mouse GTA 3 receptor
50013244	7	ChEMBL_2086314 (CHEMBL4767577)	Inhibition of mouse GTA4 receptor
50013244	8	ChEMBL_2086315 (CHEMBL4767578)	Inhibition of human GTA1 receptor expressed in tsA201 cells assessed as inhibition of [3H]GABA uptake by liquid scintillation method
50013244	9	ChEMBL_2086316 (CHEMBL4767579)	Inhibition of human BGT1 expressed in tsA201 cells assessed as inhibition of [3H]GABA uptake by liquid scintillation method
50013244	10	ChEMBL_2086317 (CHEMBL4767580)	Inhibition of human GTA2 receptor expressed in tsA201 cells assessed as inhibition of [3H]GABA uptake by liquid scintillation method
50013244	11	ChEMBL_2086318 (CHEMBL4767581)	Inhibition of human GTA3 receptor expressed in tsA201 cells assessed as inhibition of [3H]GABA uptake by liquid scintillation method
50013244	12	ChEMBL_2086323 (CHEMBL4767586)	Displacement of [3H]NO711 from mouse GAT1 expressed in HEK293 cells measured after 40 mins of incubation by LC-ESI-MS-MS method
50013244	13	ChEMBL_2086325 (CHEMBL4767588)	Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 35 mins by liquid scintillation method
50013245	1	ChEMBL_2086327 (CHEMBL4767590)	Inhibition of N-terminal GST-fused human truncated FAK (376 to 1052 residues) expressed in baculovirus expression system using tyrosine kinase peptide as substrate measured after 50 mins in presence of ATP by homogenous time resolved flourescence assay
50013247	1	ChEMBL_2086408 (CHEMBL4767671)	Partial agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation by flourescence assay
50013247	2	ChEMBL_2086410 (CHEMBL4767673)	Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of cAMP accumulation by flourescence assay
50013249	1	ChEMBL_2086509 (CHEMBL4767772)	Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 25 mins followed by substrate addition measured at first 2 mins by spectrophotometric analysis
50013249	2	ChEMBL_2086512 (CHEMBL4767775)	Mixed type inhibition of bovine xanthine oxidase assessed as inhibitory constant using xanthine as substrate preincubated for 25 mins followed by substrate addition measured at first 2 mins by spectrophotometry based Lineweaver-Burk plot analysis
50013250	1	ChEMBL_2086518 (CHEMBL4767781)	Inhibition of recombinant human His-tagged full length IRAK4 expressed in baculovirus expression system using Ser/Thr07 peptide as substrate incubated for 1 hr by Z'lyte assay
50013253	1	ChEMBL_2086543 (CHEMBL4767806)	Antagonist activity at human NOD1 expressed in HEK293 cells assessed as reduction in C12-iE-DAP-induced NF-kappaB activation preincubated for 1 hr followed by C12-iE-DAP stimulation and measured after 18 hrs by SEAP reporter gene based spectrophotometric analysis
50013253	2	ChEMBL_2086544 (CHEMBL4767807)	Antagonist activity at human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced NF-kappaB activation preincubated for 1 hr followed by MDP stimulation and measured after 18 hrs by SEAP reporter gene based spectrophotometric analysis
50013255	1	ChEMBL_2086566 (CHEMBL4767829)	Displacement of [125l]-lodomelatonin from human MT1 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis
50013255	2	ChEMBL_2086567 (CHEMBL4767830)	Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis
50013255	3	ChEMBL_2086574 (CHEMBL4767837)	Inhibition of human MAO-A using p-tyramine as substrate by Amplex Red reagent based fluorescence analysis
50013255	4	ChEMBL_2086575 (CHEMBL4767838)	Inhibition of human MAO-B using p-tyramine as substrate by Amplex Red reagent based fluorescence analysis
50013255	5	ChEMBL_2086576 (CHEMBL4767839)	Inhibition of human 5-Lipoxygenase using H2DCFDA as substrate preincubated for 5 mins and measured by Spectrophotometric assay
50013256	1	ChEMBL_2086698 (CHEMBL4767961)	Inhibition of recombinant human CA1 pre-incubated for 6 hrs measured by phenol red dye based stopped flow CO2 hydration assay
50013256	2	ChEMBL_2086699 (CHEMBL4767962)	Inhibition of recombinant human CA9 pre-incubated for 6 hrs measured by phenol red dye based stopped flow CO2 hydration assay
50013256	3	ChEMBL_2086700 (CHEMBL4767963)	Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013256	4	ChEMBL_2086701 (CHEMBL4767964)	Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013256	5	ChEMBL_2086702 (CHEMBL4767965)	Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013256	6	ChEMBL_2086703 (CHEMBL4767966)	Inhibition of recombinant human CA2 pre-incubated for 6 hrs measured by phenol red dye based stopped flow CO2 hydration assay
50013256	7	ChEMBL_2086704 (CHEMBL4767967)	Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013256	8	ChEMBL_2086705 (CHEMBL4767968)	Inhibition of recombinant human CA12 pre-incubated for 6 hrs measured by phenol red dye based stopped flow CO2 hydration assay
50013257	1	ChEMBL_2086764 (CHEMBL4768027)	Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins and measured by spectrophotometer based microplate reader assay
50013257	2	ChEMBL_2086766 (CHEMBL4768029)	Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 63 uM of methyltetrahydrofolate as substrate incubated for 10 mins and measured by spectrophotometer based microplate reader assay
50013257	3	ChEMBL_2086767 (CHEMBL4768030)	Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 126 uM of methyltetrahydrofolate as substrate incubated for 10 mins and measured by spectrophotometer based microplate reader assay
50013257	4	ChEMBL_2086768 (CHEMBL4768031)	Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using 252 uM of methyltetrahydrofolate as substrate incubated for 10 mins and measured by spectrophotometer based microplate reader assay
50013259	1	ChEMBL_2086785 (CHEMBL4768048)	Inhibition of Aurora A (unknown origin)
50013259	2	ChEMBL_2086786 (CHEMBL4768049)	Inhibition of Aurora B (unknown origin)
50013259	3	ChEMBL_2086787 (CHEMBL4768050)	Inhibition of recombinant mouse GST-tagged Aurora A expressed in insect Sf9 cells using Biotin-GLRRASLG as substrate in presence of [gamma33P]ATP by radiometric flash plate assay
50013259	4	ChEMBL_2086788 (CHEMBL4768051)	Inhibition of recombinant mouse GST-tagged Aurora B expressed in insect Sf9 cells using Biotin-TKQTARKSTGGKAPR as substrate in presence of [gamma33P]ATP by radiometric flash plate assay
50013259	5	ChEMBL_2086797 (CHEMBL4768060)	Inhibition of Aurora A (unknown origin) incubated for 1 hrs by HTRF assay
50013259	6	ChEMBL_2086798 (CHEMBL4768061)	Inhibition of Aurora B (unknown origin) incubated for 1 hrs by HTRF assay
50013260	1	ChEMBL_2086891 (CHEMBL4768154)	Potentiator activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o cells assessed as increase in forskolin induced transepithelial short circuit current by Ussing chamber assay
50013261	1	ChEMBL_2086927 (CHEMBL4768190)	Inhibition of VHR (unknown origin)
50013261	2	ChEMBL_2086928 (CHEMBL4768191)	Inhibition of N-terminal His-tagged striatal-enriched protein tyrosine phosphatase (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of p-nitrophenyl phosphate substrate hydrolysis at pH 7 measured by plate reader method
50013261	3	ChEMBL_2086930 (CHEMBL4768193)	Competitive inhibition of N-terminal His-tagged striatal-enriched protein tyrosine phosphatase (unknown origin) assessed as inhibition of p-nitrophenyl phosphate substrate hydrolysis at 2 to 8 uM measured by Lineweaver-Burk plot
50013261	4	ChEMBL_2086931 (CHEMBL4768194)	Competitive inhibition of N-terminal His-tagged striatal-enriched protein tyrosine phosphatase (unknown origin) assessed as inhibition of p-nitrophenyl phosphate substrate hydrolysis at 5 to 15 uM measured by Lineweaver-Burk plot
50013261	5	ChEMBL_2086932 (CHEMBL4768195)	Competitive inhibition of N-terminal His-tagged striatal-enriched protein tyrosine phosphatase (unknown origin) assessed as inhibition of p-nitrophenyl phosphate substrate hydrolysis at 3 to 9 uM measured by Lineweaver-Burk plot
50013261	6	ChEMBL_2086933 (CHEMBL4768196)	Inhibition of LYP (unknown origin)
50013261	7	ChEMBL_2086934 (CHEMBL4768197)	Inhibition of PTP1B (unknown origin)
50013261	8	ChEMBL_2086935 (CHEMBL4768198)	Inhibition of HEPTP (unknown origin)
50013261	9	ChEMBL_2086938 (CHEMBL4768201)	Inhibition of PPM1B (unknown origin)
50013261	10	ChEMBL_2086939 (CHEMBL4768202)	Inhibition of PPM1G (unknown origin)
50013261	11	ChEMBL_2086940 (CHEMBL4768203)	Inhibition of GLEEP (unknown origin)
50013261	12	ChEMBL_2086947 (CHEMBL4768210)	Inhibition of STEP (unknown origin)
50013262	1	ChEMBL_2086969 (CHEMBL4768232)	Displacement of [3H]-(+)-pnetazocin from sigma1 receptor in guinea pig brain membrane incubated for 120 mins by scintillation counting method
50013262	2	ChEMBL_2086970 (CHEMBL4768233)	Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membrane incubated for 2.5 hrs by scintillation counting method
50013262	3	ChEMBL_2086971 (CHEMBL4768234)	Inhibition of sigma 1 receptor (unknown origin)
50013262	4	ChEMBL_2086972 (CHEMBL4768235)	Displacement of [3H]-(+)-pnetazocin from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method
50013262	5	ChEMBL_2086973 (CHEMBL4768236)	Displacement of [3H]-diprenorphin from human mu opioid receptor expressed in CHO cell membrane incubated for 150 mins by liquid scintillation counting method
50013265	1	ChEMBL_2086996 (CHEMBL4768259)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method
50013265	2	ChEMBL_2086997 (CHEMBL4768260)	Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method
50013265	3	ChEMBL_2087001 (CHEMBL4768264)	Non competitive inhibition of human erythrocyte AChE using varying levels of acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50013265	4	ChEMBL_2087002 (CHEMBL4768265)	Non competitive inhibition of human plasma BuChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50013265	5	ChEMBL_2087003 (CHEMBL4768266)	Mixed type inhibition of human erythrocyte AChE using varying levels of acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50013266	1	ChEMBL_2087073 (CHEMBL4768336)	Inhibition of electric eel AChE by Ellman's method
50013266	2	ChEMBL_2087075 (CHEMBL4768338)	Inhibition of equine serum BChE by Ellman's method
50013266	3	ChEMBL_2087078 (CHEMBL4768341)	Inhibition of AChE in human erythrocytes by Ellman's method
50013266	4	ChEMBL_2087080 (CHEMBL4768343)	Inhibition of human serum BChE by Ellman's method
50013266	5	ChEMBL_2087096 (CHEMBL4768359)	Mixed type inhibition of human AChE using acetylthiocholine as substrate by Line-weaver Burk plot analysis
50013270	1	ChEMBL_2087260 (CHEMBL4768523)	Inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometric assay
50013270	2	ChEMBL_2087261 (CHEMBL4768524)	Competitive inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometry based Lineweaver-Burk plot analysis
50013270	3	ChEMBL_2087263 (CHEMBL4768526)	Inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometric assay
50013270	4	ChEMBL_2087264 (CHEMBL4768527)	Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometry based Lineweaver-Burk plot analysis
50013270	5	ChEMBL_2087265 (CHEMBL4768528)	Non-competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometry based Lineweaver-Burk plot analysis
50013277	1	ChEMBL_2087270 (CHEMBL4768533)	Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to end residues) expressed in sf9 insect cells using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50013277	2	ChEMBL_2087271 (CHEMBL4768534)	Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to end residues) expressed in sf9 insect cells using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence assay
50013277	3	ChEMBL_2087272 (CHEMBL4768535)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in sf9 insect cells using Boc-Lys(TFA)-AM as substrate incubated for 60 mins by fluorescence assay
50013278	1	ChEMBL_2087319 (CHEMBL4768582)	Inhibition of CDK9/cyclin T1 (unknown origin)
50013278	2	ChEMBL_2087320 (CHEMBL4768583)	Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculovirus expression system using ULight-elF4E-binding protein 1 peptide as substrate measured after 30 mins by LANCE assay
50013278	3	ChEMBL_2087321 (CHEMBL4768584)	Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/GST-tagged cyclinD3 (1 to 292 residues) expressed in baculovirus expression system using ULight-elF4E-binding protein 1 peptide as substrate measured after 30 mins by LANCE assay
50013278	4	ChEMBL_2087365 (CHEMBL4768628)	Inhibition of CDK1/cyclin B (unknown origin)
50013278	5	ChEMBL_2087366 (CHEMBL4768629)	Inhibition of CDK2/cyclin A2 (unknown origin)
50013278	6	ChEMBL_2087367 (CHEMBL4768630)	Inhibition of CDK7/cyclin H (unknown origin)
50013279	1	ChEMBL_2087368 (CHEMBL4768631)	Inhibition of human CYP1B1 using 7-ethyl-O-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay
50013281	1	ChEMBL_2087395 (CHEMBL4768658)	Inhibition of PAK1 (unknown origin) using Syntide2 peptide as substrate by pyruvate kinase/LDH dehydrogenase coupled assay
50013281	2	ChEMBL_2087396 (CHEMBL4768659)	Inhibition of PAK1 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo kinase assay
50013281	3	ChEMBL_2087397 (CHEMBL4768660)	Inhibition of PAK2 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo kinase assay
50013281	4	ChEMBL_2087398 (CHEMBL4768661)	Inhibition of PAK3 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo kinase assay
50013282	1	ChEMBL_2087512 (CHEMBL4768775)	Inhibition of recombinant His-tagged human FLT3 expressed in baculovirus expression system using peptide substrate incubated for 30 mins in presence of ATP by HTRF assay
50013282	2	ChEMBL_2087521 (CHEMBL4768784)	Inhibition of human FLT3 D835Y mutant in presence of ATP
50013282	3	ChEMBL_2087523 (CHEMBL4768786)	Inhibition of human FLT4 in presence of ATP
50013282	4	ChEMBL_2087525 (CHEMBL4768788)	Inhibition of human c-SRC in presence of ATP
50013282	5	ChEMBL_2087527 (CHEMBL4768790)	Inhibition of human FMS in presence of ATP
50013282	6	ChEMBL_2087529 (CHEMBL4768792)	Inhibition of human MER in presence of ATP
50013282	7	ChEMBL_2087531 (CHEMBL4768794)	Inhibition of human RET in presence of ATP
50013282	8	ChEMBL_2087533 (CHEMBL4768796)	Inhibition of human TrkA in presence of ATP
50013282	9	ChEMBL_2087535 (CHEMBL4768798)	Inhibition of human TrkB in presence of ATP
50013282	10	ChEMBL_2087536 (CHEMBL4768799)	Binding affinity to human FLT3 ITD mutant in presence of ATP by Lanthascreen Eu kinase binding assay
50013282	11	ChEMBL_2087543 (CHEMBL4768806)	Inhibition of human MELK in presence of ATP
50013282	12	ChEMBL_2087564 (CHEMBL4768827)	Inhibition of FLT3 (unknown origin)
50013282	13	ChEMBL_2087565 (CHEMBL4768828)	Inhibition of FLT3 autophosphorylation in human RS4-11 cells preincubated for 2 hrs followed by FLT3 ligand addition and measured after 15 mins
50013282	14	ChEMBL_2087566 (CHEMBL4768829)	Inhibition of FLT3 expressed in human SEMK2 cells assessed as reduction in FLT3 phosphorylation incubated for 1 hr by immunoblotting analysis
50013282	15	ChEMBL_2087567 (CHEMBL4768830)	Inhibition of recombinant human FLT3 using peptide substrate in presence of ATP by HTRF assay
50013283	1	ChEMBL_2087572 (CHEMBL4768835)	Agonist activity at human PPARgammaDEF receptor expressed in african green monkey COS7 cells transfected with pGal5-TK-pGL3/pRenilla-CMV assessed as intrinsic activity measured after 39 hrs by dual luciferase reporter assay
50013285	1	ChEMBL_2087617 (CHEMBL4768880)	Inhibition of recombinant human SRPK1 expressed in Escherichia coli using RS peptide as substrate incubated for 15 mins in presence of ATP by Kinase-Glo assay
50013285	2	ChEMBL_2087619 (CHEMBL4768882)	Inhibition of recombinant human CK2alpha (1 to 336 residues) expressed in Escherichia coli BL21 (DE3) using RRADDSDDDD as substrate incubated for 10 mins in presence of [gamma-33P]-ATP by scintillation counting assay
50013286	1	ChEMBL_2087632 (CHEMBL4768895)	Inhibition of LSD1 (unknown origin) incubated for 90 mins by fluorescence based assay
50013287	1	ChEMBL_2087676 (CHEMBL4768939)	Inhibition of human DHFR expressed in Escherichia coli BL21 using DHF as substrate by spectrophotometric analysis
50013292	1	ChEMBL_2087781 (CHEMBL4769044)	Inhibition of human recombinant HDAC1 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	2	ChEMBL_2087782 (CHEMBL4769045)	Inhibition of human recombinant HDAC2 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	3	ChEMBL_2087783 (CHEMBL4769046)	Inhibition of human recombinant HDAC6 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	4	ChEMBL_2087784 (CHEMBL4769047)	Inhibition of human recombinant HDAC8 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	5	ChEMBL_2087785 (CHEMBL4769048)	Inhibition of human recombinant HDAC3 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	6	ChEMBL_2087786 (CHEMBL4769049)	Inhibition of human recombinant HDAC4 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	7	ChEMBL_2087787 (CHEMBL4769050)	Inhibition of human recombinant HDAC5 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	8	ChEMBL_2087788 (CHEMBL4769051)	Inhibition of human recombinant HDAC7 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	9	ChEMBL_2087789 (CHEMBL4769052)	Inhibition of human recombinant HDAC9 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013292	10	ChEMBL_2087790 (CHEMBL4769053)	Inhibition of human recombinant HDAC10 expressed in baculovirus using fluorogenic peptide p53 residues 379-382 (RHKK(Ac)AMC) as substrate by Fluorescence analysis
50013294	1	ChEMBL_2087840 (CHEMBL4769103)	Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET assay
50013294	2	ChEMBL_2087842 (CHEMBL4769105)	Inhibition of recombinant human His6-tagged AMPK alpha2 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measured after 1 hr by TR-FRET assay
50013294	3	ChEMBL_2087844 (CHEMBL4769107)	Inhibition of tracer 236 binding to recombinant human N-terminal GST-tagged full length KDR (790 to 1356 residues) expressed in baculovirus expression system incubated for 1 hr by Lanthascreen assay
50013296	1	ChEMBL_2087988 (CHEMBL4769251)	Inhibition of TNNI3K (unknown origin) using biotinylated CTnI as substrate by HTRF analysis
50013297	1	ChEMBL_2088040 (CHEMBL4769303)	Inhibition of recombinant human HDAC1 using SIRT1 as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013297	2	ChEMBL_2088041 (CHEMBL4769304)	Inhibition of recombinant human HDAC2 using FLUOR-DE-LYS-Green as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013297	3	ChEMBL_2088042 (CHEMBL4769305)	Inhibition of recombinant human N-terminal GST-tagged CDK2/CyclinA2 expressed in baculovirus infected Sf21 cells using histone H1 as substrate incubated for 10 mins by luminescence based assay
50013300	1	ChEMBL_2088168 (CHEMBL4769431)	Inhibition of EGFR (unknown origin) by FRET assay
50013300	2	ChEMBL_2088169 (CHEMBL4769432)	Inhibition of EGFR L858R mutant (unknown origin) by FRET assay
50013300	3	ChEMBL_2088170 (CHEMBL4769433)	Inhibition of EGFR T790M mutant (unknown origin) by FRET assay
50013302	1	ChEMBL_2088239 (CHEMBL4769502)	Inhibition of recombinant human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrophotometry based Ellman's method
50013302	2	ChEMBL_2088242 (CHEMBL4769505)	Inhibition of recombinant equine serum BuChE using butyryl thiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrophotometry based Ellman's method
50013303	1	ChEMBL_2088281 (CHEMBL4769544)	Inhibition of His-tagged human full length PI3Kalpha coexpressed with p85 alpha in baculovirus expression system using PIP2 peptide as substrate incubated for 1 hr in presence ATP by Kinase-Glo assay
50013303	2	ChEMBL_2088282 (CHEMBL4769545)	Inhibition of N-terminal His6-tagged human recombinant full length PI3Kbeta co-expressed with human recombinant full length P85alpha in baculovirus infected Sf21 cells using PIP2 peptide as substrate incubated for 1 hr in presence ATP by ADP-Glo Kinase Assay
50013303	3	ChEMBL_2088283 (CHEMBL4769546)	Inhibition of GST-tagged human recombinant PI3Kgamma catalytic domain (468 to 1203 residues) expressed in insect cells using PIP2 peptide as substrate incubated for 1 hr in presence ATP by ADP-Glo Kinase Assay
50013303	4	ChEMBL_2088284 (CHEMBL4769547)	Inhibition of N-terminal FLAG-tagged human recombinant mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate incubated for 1 hr in presence of ATP by Lance Ultra assay
50013303	5	ChEMBL_2088303 (CHEMBL4769566)	Inhibition of N-terminal His6-tagged human recombinant full length PI3Kdelta co-expressed with human recombinant full length P85alpha in baculovirus infected Sf21 cells using PIP2 peptide as substrate incubated for 2 hrs in presence ATP by ADP-Glo Kinase Assay
50013303	6	ChEMBL_2088313 (CHEMBL4769576)	Inhibition of human ERG expressed in CHO cells assessed as inhibition of channel tail current at holding potential of -80 mV by Qpatch assay
50013305	1	ChEMBL_2088318 (CHEMBL4769581)	Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cells assessed as inhibition of H2O2 production using p-tyramine as substrate preincubated for 15 mins followed by substrate addition by Amplex Red reagent based fluorescence analysis
50013305	2	ChEMBL_2088319 (CHEMBL4769582)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition by Ellman's method
50013305	3	ChEMBL_2088320 (CHEMBL4769583)	Inhibition of human BuchE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by Ellman's method
50013305	4	ChEMBL_2088326 (CHEMBL4769589)	Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected BTI-TN-5B1-4 cells assessed as inhibition of H2O2 production using p-tyramine as substrate preincubated for 15 mins followed by substrate addition by Amplex Red reagent based fluorescence analysis
50013306	1	ChEMBL_2088338 (CHEMBL4769601)	Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine as substrate measured for 0.5 to 1.5 mins by Ellman's method
50013306	2	ChEMBL_2088339 (CHEMBL4769602)	Inhibition of equine BChE assessed as inhibition constant using acetylthiocholine as substrate measured for 0.5 to 1.5 mins by Ellman's method
50013308	1	ChEMBL_2088442 (CHEMBL4769705)	Inhibition of ALK5 (unknown origin) measured after 120 mins of incubation by ADP-Glo kinase assay
50013308	2	ChEMBL_2088443 (CHEMBL4769706)	Inhibition of p38alpha (unknown origin) using FAM-labelled peptide substrate
50013311	1	ChEMBL_2088471 (CHEMBL4769734)	Inhibition of human plasma AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by Ellman's method
50013311	2	ChEMBL_2088472 (CHEMBL4769735)	Displacement of [3H]paroxetine from human SERT expressed in human HEK293 cells incubated for 30 mins by liquid scintillation counting analysis
50013312	1	ChEMBL_2088478 (CHEMBL4769741)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 60 mins by HTRF assay
50013313	1	ChEMBL_2088599 (CHEMBL4769862)	Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin) by HTRF assay
50013315	1	ChEMBL_2088630 (CHEMBL4769893)	Inhibition of human ERG
50013315	2	ChEMBL_2088688 (CHEMBL4769951)	Inhibition of human liver microsome CYP3A4 in presence of NADPH incubated for 10 to 30 mins by LC-MS-MS analysis
50013316	1	ChEMBL_2088692 (CHEMBL4769955)	Inhibition of BTK (unknown origin) by ADP-Glo assay
50013316	2	ChEMBL_2088705 (CHEMBL4769968)	Inhibition of EGFR (unknown origin) by ADP-Glo assay
50013316	3	ChEMBL_2088706 (CHEMBL4769969)	Inhibition of ITK (unknown origin) by ADP-Glo assay
50013316	4	ChEMBL_2088707 (CHEMBL4769970)	Inhibition of BLK (unknown origin) by ADP-Glo assay
50013316	5	ChEMBL_2088708 (CHEMBL4769971)	Inhibition of SRC (unknown origin) by ADP-Glo assay
50013316	6	ChEMBL_2088709 (CHEMBL4769972)	Inhibition of BTK in human TMD8 cells assessed as reduction in cell proliferation incubated for 24 hrs by CCK-8 assay
50013318	1	ChEMBL_2088734 (CHEMBL4769997)	Inhibition of human CDK2/cyclin A in presence of ATP by ADP-glo luminescent assay
50013318	2	ChEMBL_2088735 (CHEMBL4769998)	Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay
50013318	3	ChEMBL_2088736 (CHEMBL4769999)	Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay
50013318	4	ChEMBL_2088737 (CHEMBL4770000)	Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay
50013318	5	ChEMBL_2088757 (CHEMBL4770020)	Inhibition of human GSK3alpha by ADP-Glo assay
50013318	6	ChEMBL_2088759 (CHEMBL4770022)	Inhibition of CDK9 (unknown origin)
50013322	1	ChEMBL_2088807 (CHEMBL4770070)	Inhibition of N-terminal GST-fused human EGFR L858R/T790M double mutant cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate incubated for 20 mins by Mobility shift assay
50013322	2	ChEMBL_2088808 (CHEMBL4770071)	Inhibition of N-terminal GST-fused human wild type EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate incubated for 20 mins by Mobility shift assay
50013323	1	ChEMBL_2088959 (CHEMBL4770222)	Inhibition of recombinant Mycobacterium tuberculosis His6-tagged InHA expressed in Escherichia coli BL21 using trans-2-dodecenoyl-Coenzyme A as substrate
50013324	1	ChEMBL_2089049 (CHEMBL4770312)	Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinase Glo Plus Luminescence kinase assay
50013325	1	ChEMBL_2089125 (CHEMBL4770388)	Binding affinity to human recombinant Bcl-2 expressed in Escherichia coli by Surface plasmon resonance assay
50013325	2	ChEMBL_2089188 (CHEMBL4770451)	Binding affinity to human CSF1R
50013325	3	ChEMBL_2089189 (CHEMBL4770452)	Binding affinity to human NTRK1
50013325	4	ChEMBL_2089190 (CHEMBL4770453)	Binding affinity to human DDR1
50013325	5	ChEMBL_2089191 (CHEMBL4770454)	Binding affinity to human FLT1
50013325	6	ChEMBL_2089192 (CHEMBL4770455)	Binding affinity to human PDGFRA
50013325	7	ChEMBL_2089193 (CHEMBL4770456)	Binding affinity to human RET
50013325	8	ChEMBL_2089194 (CHEMBL4770457)	Binding affinity to human ABL2
50013325	9	ChEMBL_2089195 (CHEMBL4770458)	Binding affinity to human FLT3
50013325	10	ChEMBL_2089196 (CHEMBL4770459)	Binding affinity to human FLT4
50013326	1	ChEMBL_2089276 (CHEMBL4770539)	Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand binding assay
50013326	2	ChEMBL_2089277 (CHEMBL4770540)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in human HEK293 cells assessed as inhibitory constant incubated for 60 mins by radioligand binding assay
50013326	3	ChEMBL_2089285 (CHEMBL4770548)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50013329	1	ChEMBL_2089299 (CHEMBL4770562)	Inhibition of CDK9/Cyclin T1 (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	2	ChEMBL_2089301 (CHEMBL4770564)	Inhibition of CDK2/Cyclin A (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	3	ChEMBL_2089304 (CHEMBL4770567)	Inhibition of CDK9/Cyclin K (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	4	ChEMBL_2089305 (CHEMBL4770568)	Inhibition of CDK7/Cyclin H (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	5	ChEMBL_2089307 (CHEMBL4770570)	Inhibition of CDK1/Cyclin B (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	6	ChEMBL_2089308 (CHEMBL4770571)	Inhibition of CDK2/Cyclin E (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	7	ChEMBL_2089309 (CHEMBL4770572)	Inhibition of CDK3/Cyclin E (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	8	ChEMBL_2089310 (CHEMBL4770573)	Inhibition of CDK4/Cyclin D1 (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	9	ChEMBL_2089311 (CHEMBL4770574)	Inhibition of CDK5/p25 (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	10	ChEMBL_2089312 (CHEMBL4770575)	Inhibition of CDK6/Cyclin D3 (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	11	ChEMBL_2089313 (CHEMBL4770576)	Inhibition of CDK8/Cyclin C (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	12	ChEMBL_2089314 (CHEMBL4770577)	Inhibition of CDK19/Cyclin C (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma] ATP by hotspot kinase assay
50013329	13	ChEMBL_2089346 (CHEMBL4770609)	Inhibition of fluorescently labeled tracer binding to human ERG by competitive binding assay
50013331	1	ChEMBL_2089380 (CHEMBL4770643)	Displacement of [125I] alpha bungarotoxin from human neuronal alpha7 nAChR expressed in human SH-SY5Y cell membrane measured after 120 mins by Topcount scintillation counting method
50013331	2	ChEMBL_2089382 (CHEMBL4770645)	Displacement of [125I] alpha bungarotoxin from human neuronal alpha4beta2 nAChR expressed in human SH-SY5Y cell membrane measured after 120 mins by Topcount scintillation counting method
50013332	1	ChEMBL_2089389 (CHEMBL4770652)	Competitive inhibition of AChE (unknown origin) using acetylthiocholineiodide substrate
50013332	2	ChEMBL_2089390 (CHEMBL4770653)	Inhibition of AChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman's method
50013332	3	ChEMBL_2089391 (CHEMBL4770654)	Inhibition of BuChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman's method
50013334	1	ChEMBL_2089572 (CHEMBL4770835)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis
50013334	2	ChEMBL_2089573 (CHEMBL4770836)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis
50013334	3	ChEMBL_2089574 (CHEMBL4770837)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis
50013334	4	ChEMBL_2089575 (CHEMBL4770838)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis
50013334	5	ChEMBL_2089576 (CHEMBL4770839)	Inhibition of CYP2C19 in human liver microsomes using omeprazole as substrate incubated for 5 mins followed by NADPH addition and measured after 20 mins by LC-MS/MS analysis
50013336	1	ChEMBL_2089629 (CHEMBL4770892)	Inhibition of ovine COX1 by colorimetric analysis
50013336	2	ChEMBL_2089630 (CHEMBL4770893)	Inhibition of human recombinant COX2 by colorimetric analysis
50013336	3	ChEMBL_2089633 (CHEMBL4770896)	Inhibition of human CA1 by stopped-flow carbon dioxide hydration assay
50013336	4	ChEMBL_2089634 (CHEMBL4770897)	Inhibition of human CA2 by stopped-flow carbon dioxide hydration assay
50013336	5	ChEMBL_2089635 (CHEMBL4770898)	Inhibition of human CA9 by stopped-flow carbon dioxide hydration assay
50013336	6	ChEMBL_2089636 (CHEMBL4770899)	Inhibition of human CA12 by stopped-flow carbon dioxide hydration assay
50013337	1	ChEMBL_2089693 (CHEMBL4770956)	Inhibition of recombinant human HDAC1 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay
50013337	2	ChEMBL_2089696 (CHEMBL4770959)	Inhibition of recombinant human HDAC6 using Z-(Ac)Lys-AMC as substrate after 90 mins by fluorescence based micro plate assay
50013337	3	ChEMBL_2089699 (CHEMBL4770962)	Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay
50013337	4	ChEMBL_2089700 (CHEMBL4770963)	Binding affinity to BRPF1 (unknown origin) by Isothermal titration calorimetry
50013337	5	ChEMBL_2089729 (CHEMBL4770992)	Inhibition of BRD4 (unknown origin)
50013337	6	ChEMBL_2089730 (CHEMBL4770993)	Inhibition of HDAC2 (unknown origin)
50013337	7	ChEMBL_2089731 (CHEMBL4770994)	Inhibition of HDAC3 (unknown origin)
50013338	1	ChEMBL_2089779 (CHEMBL4771042)	Inhibition of c-MET (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	2	ChEMBL_2089811 (CHEMBL4771074)	Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	3	ChEMBL_2089812 (CHEMBL4771075)	Inhibition of PDGFR alpha (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	4	ChEMBL_2089813 (CHEMBL4771076)	Inhibition of PDGFR beta (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	5	ChEMBL_2089814 (CHEMBL4771077)	Inhibition of Ron (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	6	ChEMBL_2089815 (CHEMBL4771078)	Inhibition of VEGFR 2 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	7	ChEMBL_2089816 (CHEMBL4771079)	Inhibition of EGFR (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	8	ChEMBL_2089817 (CHEMBL4771080)	Inhibition of FLT-3 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	9	ChEMBL_2089818 (CHEMBL4771081)	Inhibition of ALK (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013338	10	ChEMBL_2089819 (CHEMBL4771082)	Inhibition of FLT-4 (unknown origin) using poly (Glu, Tyr)4:1 as substrate in presence of ATP measured after 30 mins by HTRF assay
50013348	1	ChEMBL_2089820 (CHEMBL4771083)	Inhibition of recombinant human RIPK2 incubated for 2 hr by ADP-Glo assay
50013348	2	ChEMBL_2089821 (CHEMBL4771084)	Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by kinase assay
50013348	3	ChEMBL_2089822 (CHEMBL4771085)	Inhibition of human NOD2 expressed in HEK293 cells coexpressing NFkappaB-SEAP reporter measured after 7 to 9 hrs by HEKBIue reporter assay
50013349	1	ChEMBL_2089913 (CHEMBL4771176)	Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes
50013349	2	ChEMBL_2089914 (CHEMBL4771177)	Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells
50013349	3	ChEMBL_2089915 (CHEMBL4771178)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells
50013349	4	ChEMBL_2089916 (CHEMBL4771179)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells
50013352	1	ChEMBL_2089920 (CHEMBL4771183)	Inhibition of human C-terminal His6-tagged ATX beta expressed in Sf9 insect cells using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured at 1 min interval for 30 mins by fluorescence assay
50013353	1	ChEMBL_2089929 (CHEMBL4771192)	Inhibition of N-terminal His6-tagged human RNA-N7 MTase expressed in Escherichia coli using GpppAC4 and [3H]SAM as substrate preincubated with enzyme followed by substrate addition and measured after 30 mins by filter binding assay
50013355	1	ChEMBL_2089945 (CHEMBL4771208)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 6 +/- 0.2 nM)
50013355	2	ChEMBL_2089946 (CHEMBL4771209)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 6 +/- 0.2 nM)
50013355	3	ChEMBL_2089947 (CHEMBL4771210)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 11.8 +/- 1.13 nM)
50013355	4	ChEMBL_2089948 (CHEMBL4771211)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 11.8 +/- 1.13 nM)
50013355	5	ChEMBL_2089949 (CHEMBL4771212)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 80 +/- 10 nM)
50013355	6	ChEMBL_2089950 (CHEMBL4771213)	Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 80 +/- 10 nM)
50013355	7	ChEMBL_2089951 (CHEMBL4771214)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 823 +/- 16 nM)
50013355	8	ChEMBL_2089952 (CHEMBL4771215)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 823 +/- 16 nM)
50013355	9	ChEMBL_2089953 (CHEMBL4771216)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 797 +/- 73 nM)
50013355	10	ChEMBL_2089954 (CHEMBL4771217)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 797 +/- 73 nM)
50013355	11	ChEMBL_2089955 (CHEMBL4771218)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 2264 +/- 196 nM)
50013355	12	ChEMBL_2089956 (CHEMBL4771219)	Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 2264 +/- 196 nM)
50013355	13	ChEMBL_2089957 (CHEMBL4771220)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 4.55 +/- 0.28 nM)
50013355	14	ChEMBL_2089958 (CHEMBL4771221)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 4.55 +/- 0.28 nM)
50013355	15	ChEMBL_2089959 (CHEMBL4771222)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 26.50 +/- 4.1 nM)
50013355	16	ChEMBL_2089960 (CHEMBL4771223)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 26.50 +/- 4.1 nM)
50013355	17	ChEMBL_2089961 (CHEMBL4771224)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 242 +/- 5 nM)
50013355	18	ChEMBL_2089962 (CHEMBL4771225)	Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 242 +/- 5 nM)
50013355	19	ChEMBL_2089963 (CHEMBL4771226)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 2867 +/- 142 nM)
50013355	20	ChEMBL_2089964 (CHEMBL4771227)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 2867 +/- 142 nM)
50013355	21	ChEMBL_2089965 (CHEMBL4771228)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 1762 +/- 63 nM)
50013355	22	ChEMBL_2089966 (CHEMBL4771229)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 1762 +/- 63 nM)
50013355	23	ChEMBL_2089967 (CHEMBL4771230)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 2.5 uM measured after 72 hrs by SRB assay (Rvb = 4736 +/- 59 nM)
50013355	24	ChEMBL_2089968 (CHEMBL4771231)	Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 at 5 uM measured after 72 hrs by SRB assay (Rvb = 4736 +/- 59 nM)
50013357	1	ChEMBL_2089995 (CHEMBL4771258)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged FAAL28 expressed in Escherichia coli
50013357	2	ChEMBL_2089996 (CHEMBL4771259)	Inhibition of Mycobacterium tuberculosis H37Rv His-tagged FACL19 expressed in Escherichia coli
50013357	3	ChEMBL_2089998 (CHEMBL4771261)	Inhibition of Mycobacterium tuberculosis H37Rv FAAL32 expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs in presence of [C14] fatty acid by SDS-PAGE analysis
50013357	4	ChEMBL_2090004 (CHEMBL4771267)	Inhibition of Mycobacterium tuberculosis H37Rv FACL19 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectroscopic analysis
50013357	5	ChEMBL_2090005 (CHEMBL4771268)	Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectroscopic analysis
50013361	1	ChEMBL_2090024 (CHEMBL4771287)	Inhibition of CDK8 in human SW-620 cells assessed as reduction in STAT1 phosphorylation at Ser727 residues measured after 8 hrs
50013361	2	ChEMBL_2090025 (CHEMBL4771288)	Inhibition of CDK8 (unknown origin)
50013361	3	ChEMBL_2090040 (CHEMBL4771303)	Inhibition of CDK19 (unknown origin)
50013361	4	ChEMBL_2090041 (CHEMBL4771304)	Inhibition of CDK7 (unknown origin)
50013361	5	ChEMBL_2090042 (CHEMBL4771305)	Inhibition of CLK4 (unknown origin)
50013361	6	ChEMBL_2090043 (CHEMBL4771306)	Inhibition of DDR1 (unknown origin)
50013361	7	ChEMBL_2090044 (CHEMBL4771307)	Inhibition of DDR1 (unknown origin) expressed in HEK293T cells assessed as reduction in collagen-induced DDR1 autophosphorylation
50013362	1	ChEMBL_2090048 (CHEMBL4771311)	Displacement of 5-FAM-GpYLPQTV-NH2 from His-tagged STAT3 (unknown origin) (127 to 722 residues) incubated for 30 mins followed by fluorescent peptide probe addition and measured after 1 hr by fluorescence polarization based competition binding assay
50013363	1	ChEMBL_2090088 (CHEMBL4771351)	Inhibition of human JNK3 after 40 mins by [gamma-33ATP] radiometric assay relative to control
50013363	2	ChEMBL_2090098 (CHEMBL4771361)	Inhibition of human JNK1alpha1 after 40 mins by [gamma-33ATP] radiometric assay relative to control
50013363	3	ChEMBL_2090099 (CHEMBL4771362)	Inhibition of human JNK2alpha2 after 40 mins by [gamma-33ATP] radiometric assay relative to control
50013363	4	ChEMBL_2090100 (CHEMBL4771363)	Inhibition of human DDR1 using KKKSPGEYVNIEFG as substrate after 40 mins by [gamma-33P]-ATP assay
50013363	5	ChEMBL_2090101 (CHEMBL4771364)	Inhibition of human EGFR L858R/T790M mutant GGMEDIYFEFMGGKKK as substrate measured after 40 mins in presence of [gamma-33P]ATP by radiometric assay
50013363	6	ChEMBL_2090102 (CHEMBL4771365)	Inhibition of human EGFR L858R using poly[Glu:Tyr] (4:1) as substrate measured after 40 mins in presence of [gamma-33P]ATP by radiometric assay
50013364	1	ChEMBL_2090103 (CHEMBL4771366)	Inhibition of recombinant human HDAC11 expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	2	ChEMBL_2090104 (CHEMBL4771367)	Inhibition of recombinant human HDAC6 using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	3	ChEMBL_2090105 (CHEMBL4771368)	Inhibition of recombinant human HDAC10 (2 to 631 residues) expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	4	ChEMBL_2090106 (CHEMBL4771369)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	5	ChEMBL_2090107 (CHEMBL4771370)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	6	ChEMBL_2090108 (CHEMBL4771371)	Inhibition of human full length C-terminal Flag tagged HDAC11 expressed in HEK293T cells assessed as reduction in demyristoylation activity using H3K9-myristoyl peptide as substrate by HPLC method
50013364	7	ChEMBL_2090109 (CHEMBL4771372)	Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	8	ChEMBL_2090110 (CHEMBL4771373)	Inhibition of human HDAC2 expressed in Sf9 cells using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	9	ChEMBL_2090111 (CHEMBL4771374)	Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	10	ChEMBL_2090112 (CHEMBL4771375)	Inhibition of HDAC4 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	11	ChEMBL_2090113 (CHEMBL4771376)	Inhibition of HDAC5 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	12	ChEMBL_2090114 (CHEMBL4771377)	Inhibition of HDAC7 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	13	ChEMBL_2090115 (CHEMBL4771378)	Inhibition of HDAC9 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	14	ChEMBL_2090116 (CHEMBL4771379)	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	15	ChEMBL_2090117 (CHEMBL4771380)	Inhibition of HDAC2 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	16	ChEMBL_2090118 (CHEMBL4771381)	Inhibition of recombinant human HDAC11 using fluorogenic HDAC substrate class 2a incubated for 30 mins by fluorimetry
50013364	17	ChEMBL_2090119 (CHEMBL4771382)	Inhibition of HDAC3 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	18	ChEMBL_2090120 (CHEMBL4771383)	Inhibition of HDAC8 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition and shaken for 60 secs and measured over 30 mins
50013364	19	ChEMBL_2090121 (CHEMBL4771384)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	20	ChEMBL_2090122 (CHEMBL4771385)	Inhibition of human HDAC2 expressed in Sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	21	ChEMBL_2090123 (CHEMBL4771386)	Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	22	ChEMBL_2090124 (CHEMBL4771387)	Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate by fluorometric method
50013364	23	ChEMBL_2090125 (CHEMBL4771388)	Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	24	ChEMBL_2090126 (CHEMBL4771389)	Inhibition of human HDAC5 using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013364	25	ChEMBL_2090127 (CHEMBL4771390)	Inhibition of human HDAC1 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
50013364	26	ChEMBL_2090128 (CHEMBL4771391)	Inhibition of human HDAC2 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
50013364	27	ChEMBL_2090129 (CHEMBL4771392)	Inhibition of human HDAC3/NcoR2 expressed in sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
50013364	28	ChEMBL_2090130 (CHEMBL4771393)	Inhibition of human HDAC8 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKAcKAc) as substrate by fluorescence-based assay
50013364	29	ChEMBL_2090131 (CHEMBL4771394)	Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
50013364	30	ChEMBL_2090132 (CHEMBL4771395)	Inhibition of human HDAC5 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
50013364	31	ChEMBL_2090133 (CHEMBL4771396)	Inhibition of human HDAC7 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
50013364	32	ChEMBL_2090134 (CHEMBL4771397)	Inhibition of human HDAC9 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
50013364	33	ChEMBL_2090135 (CHEMBL4771398)	Inhibition of human HDAC6 expressed in baculovirus infected sf9 cells using p53 residues 379-382 (RHKKAc) as substrate by fluorescence-based assay
50013364	34	ChEMBL_2090136 (CHEMBL4771399)	Inhibition of HDAC10 (unknown origin)
50013364	35	ChEMBL_2090137 (CHEMBL4771400)	Inhibition of human HDAC11 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorescence-based assay
50013364	36	ChEMBL_2090138 (CHEMBL4771401)	Inhibition of HDAC1 (unknown origin) by color de Lys colorimetric assay
50013364	37	ChEMBL_2090139 (CHEMBL4771402)	Inhibition of HDAC2 (unknown origin) by color de Lys colorimetric assay
50013364	38	ChEMBL_2090140 (CHEMBL4771403)	Inhibition of HDAC3 (unknown origin) by color de Lys colorimetric assay
50013364	39	ChEMBL_2090141 (CHEMBL4771404)	Inhibition of HDAC8 (unknown origin) by color de Lys colorimetric assay
50013364	40	ChEMBL_2090142 (CHEMBL4771405)	Inhibition of HDAC4 (unknown origin) by color de Lys colorimetric assay
50013364	41	ChEMBL_2090143 (CHEMBL4771406)	Inhibition of HDAC5 (unknown origin) by color de Lys colorimetric assay
50013364	42	ChEMBL_2090144 (CHEMBL4771407)	Inhibition of HDAC7 (unknown origin) by color de Lys colorimetric assay
50013364	43	ChEMBL_2090145 (CHEMBL4771408)	Inhibition of HDAC9 (unknown origin) by color de Lys colorimetric assay
50013364	44	ChEMBL_2090146 (CHEMBL4771409)	Inhibition of HDAC6 (unknown origin) by color de Lys colorimetric assay
50013364	45	ChEMBL_2090147 (CHEMBL4771410)	Inhibition of HDAC10 (unknown origin) by color de Lys colorimetric assay
50013364	46	ChEMBL_2090148 (CHEMBL4771411)	Inhibition of HDAC11 (unknown origin) by color de Lys colorimetric assay
50013364	47	ChEMBL_2090149 (CHEMBL4771412)	Inhibition of recombinant human HDAC1 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	48	ChEMBL_2090150 (CHEMBL4771413)	Inhibition of recombinant human HDAC2 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	49	ChEMBL_2090151 (CHEMBL4771414)	Inhibition of recombinant human HDAC3 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	50	ChEMBL_2090152 (CHEMBL4771415)	Inhibition of recombinant human HDAC8 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	51	ChEMBL_2090153 (CHEMBL4771416)	Inhibition of recombinant human HDAC4 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	52	ChEMBL_2090154 (CHEMBL4771417)	Inhibition of recombinant human HDAC7 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	53	ChEMBL_2090155 (CHEMBL4771418)	Inhibition of recombinant human HDAC9 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	54	ChEMBL_2090156 (CHEMBL4771419)	Inhibition of recombinant human HDAC6 using pan-HDAC substrate incubated for 3 hrs by fluorescence method
50013364	55	ChEMBL_2090157 (CHEMBL4771420)	Inhibition of human C-terminal Flag-tagged HDAC1 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	56	ChEMBL_2090158 (CHEMBL4771421)	Inhibition of human C-terminal Flag-tagged HDAC2 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	57	ChEMBL_2090159 (CHEMBL4771422)	Inhibition of human C-terminal Flag-tagged HDAC3 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	58	ChEMBL_2090160 (CHEMBL4771423)	Inhibition of human NH2-terminal His-tagged HDAC8 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	59	ChEMBL_2090161 (CHEMBL4771424)	Inhibition of human NH2-terminal His6-tagged HDAC4 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	60	ChEMBL_2090162 (CHEMBL4771425)	Inhibition of human NH2-terminal His6-tagged HDAC5 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	61	ChEMBL_2090163 (CHEMBL4771426)	Inhibition of human NH2-terminal His6-tagged HDAC7 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	62	ChEMBL_2090164 (CHEMBL4771427)	Inhibition of human NH2-terminal His-tagged HDAC6 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	63	ChEMBL_2090165 (CHEMBL4771428)	Inhibition of human C-terminal Flag-tagged HDAC11 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50013364	64	ChEMBL_2090166 (CHEMBL4771429)	Inhibition of HDAC1 (unknown origin) using p53 residues (379 to 382)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	65	ChEMBL_2090167 (CHEMBL4771430)	Inhibition of HDAC2 (unknown origin) using p53 residues (379 to 382)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	66	ChEMBL_2090168 (CHEMBL4771431)	Inhibition of HDAC3 (unknown origin) using p53 residues (379 to 382)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	67	ChEMBL_2090169 (CHEMBL4771432)	Inhibition of HDAC8 (unknown origin) using p53 (379 to 382 residues)(RHK(Ac)K(ac)AMC) as substrate by fluorescent method
50013364	68	ChEMBL_2090170 (CHEMBL4771433)	Inhibition of HDAC4 (unknown origin) using HDAC class IIa substrate (trifluoroacetyl-lysine-AMC) as substrate by fluorescent method
50013364	69	ChEMBL_2090171 (CHEMBL4771434)	Inhibition of HDAC5 (unknown origin) using HDAC class IIa substrate (trifluoroacetyl-lysine-AMC) as substrate by fluorescent method
50013364	70	ChEMBL_2090172 (CHEMBL4771435)	Inhibition of HDAC7 (unknown origin) using HDAC class IIa substrate (trifluoroacetyl-lysine-AMC) as substrate by fluorescent method
50013364	71	ChEMBL_2090173 (CHEMBL4771436)	Inhibition of HDAC9 (unknown origin) using HDAC class IIa substrate (trifluoroacetyl-lysine-AMC) as substrate by fluorescent method
50013364	72	ChEMBL_2090174 (CHEMBL4771437)	Inhibition of HDAC6 (unknown origin) using p53 residues (379 to 382)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	73	ChEMBL_2090175 (CHEMBL4771438)	Inhibition of HDAC10 (unknown origin) using p53 residues (379 to 382)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	74	ChEMBL_2090176 (CHEMBL4771439)	Inhibition of HDAC11 (unknown origin) using p53 (379 to 382 residues)(RHKK(Ac)-AMC) as substrate by fluorescent method
50013364	75	ChEMBL_2090177 (CHEMBL4771440)	Inhibition of HDAC1 (unknown origin)
50013364	76	ChEMBL_2090178 (CHEMBL4771441)	Inhibition of HDAC2 (unknown origin)
50013364	77	ChEMBL_2090179 (CHEMBL4771442)	Inhibition of HDAC3 (unknown origin)
50013364	78	ChEMBL_2090180 (CHEMBL4771443)	Inhibition of HDAC1 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 secs for 60 mins by fluorescence-based assay
50013364	79	ChEMBL_2090181 (CHEMBL4771444)	Inhibition of human HDAC2 expressed in Sf9 cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 secs for 60 mins by fluorescence-based assay
50013364	80	ChEMBL_2090182 (CHEMBL4771445)	Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 secs for 60 mins by fluorescence-based assay
50013364	81	ChEMBL_2090183 (CHEMBL4771446)	Inhibition of HDAC1 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	82	ChEMBL_2090184 (CHEMBL4771447)	Inhibition of human HDAC2 expressed in Sf9 cells using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	83	ChEMBL_2090185 (CHEMBL4771448)	Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	84	ChEMBL_2090186 (CHEMBL4771449)	Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using (Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorimetric assay
50013364	85	ChEMBL_2090187 (CHEMBL4771450)	Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC) as substrate by fluorimetric assay
50013364	86	ChEMBL_2090188 (CHEMBL4771451)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using Boc-Lys(trifluoroacetyl)-AMC) by fluorimetric assay
50013364	87	ChEMBL_2090189 (CHEMBL4771452)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using Boc-Lys(trifluoroacetyl)-AMC) by fluorimetric assay
50013364	88	ChEMBL_2090190 (CHEMBL4771453)	Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) by fluorimetric assay
50013364	89	ChEMBL_2090191 (CHEMBL4771454)	Inhibition of HDAC6 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	90	ChEMBL_2090192 (CHEMBL4771455)	Inhibition of recombinant human N-terminal FLAG-tagged HDAC10 (2 to 631 residues) expressed in baculovirus infected sf9 cells using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	91	ChEMBL_2090193 (CHEMBL4771456)	Inhibition of recombinant human HDAC11 expressed in baculovirus infected sf9 cells using p53 (379 to 382 residues) (Arg-His-Lys(Ac)-Lys(Ac)) as substrate by fluorimetric assay
50013364	92	ChEMBL_2090194 (CHEMBL4771457)	Inhibition of human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	93	ChEMBL_2090195 (CHEMBL4771458)	Inhibition of human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	94	ChEMBL_2090196 (CHEMBL4771459)	Inhibition of human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	95	ChEMBL_2090197 (CHEMBL4771460)	Inhibition of human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	96	ChEMBL_2090198 (CHEMBL4771461)	Inhibition of human HDAC4 using Boc-Lys(tri-fluoracetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	97	ChEMBL_2090199 (CHEMBL4771462)	Inhibition of human HDAC8 using Boc-Lys(tri-fluoracetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	98	ChEMBL_2090200 (CHEMBL4771463)	Inhibition of human HDAC5 using Boc-Lys(tri-fluoracetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	99	ChEMBL_2090201 (CHEMBL4771464)	Inhibition of human HDAC7 using Boc-Lys(tri-fluoracetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by colorimetric assay
50013364	100	ChEMBL_2090202 (CHEMBL4771465)	Binding affinity to human full length N-terminal GST-tagged HDAC4 by surface plasmon resonance analysis
50013364	101	ChEMBL_2090206 (CHEMBL4771469)	Inhibition of His-tagged GST-fused human HDAC3/NcoR2 expressed in sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	102	ChEMBL_2090207 (CHEMBL4771470)	Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	103	ChEMBL_2090208 (CHEMBL4771471)	Inhibition of human HDAC5 using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	104	ChEMBL_2090209 (CHEMBL4771472)	Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	105	ChEMBL_2090210 (CHEMBL4771473)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	106	ChEMBL_2090211 (CHEMBL4771474)	Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	107	ChEMBL_2090212 (CHEMBL4771475)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	108	ChEMBL_2090214 (CHEMBL4771477)	Inhibition of HDAC1 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide substrate preincubated for 3 hrs by microfluidic capillary electrophoresis
50013364	109	ChEMBL_2090215 (CHEMBL4771478)	Inhibition of human HDAC2 expressed in Sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate preincubated for 3 hrs by microfluidic capillary electrophoresis
50013364	110	ChEMBL_2090216 (CHEMBL4771479)	Inhibition of His-tagged GST-fused human HDAC3/NcoR2 expressed in sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate preincubated for 3 hrs by microfluidic capillary electrophoresis
50013364	111	ChEMBL_2090217 (CHEMBL4771480)	Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	112	ChEMBL_2090218 (CHEMBL4771481)	Inhibition of human HDAC5 using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	113	ChEMBL_2090219 (CHEMBL4771482)	Inhibition of HDAC6 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	114	ChEMBL_2090220 (CHEMBL4771483)	Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	115	ChEMBL_2090221 (CHEMBL4771484)	Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	116	ChEMBL_2090222 (CHEMBL4771485)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using carboxyfluorescein (FAM)-labeled acetylated peptide substrate by microfluidic capillary electrophoresis
50013364	117	ChEMBL_2090223 (CHEMBL4771486)	Inhibition of human full length recombinant HDAC1 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	118	ChEMBL_2090224 (CHEMBL4771487)	Inhibition of human full length recombinant HDAC2 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	119	ChEMBL_2090225 (CHEMBL4771488)	Inhibition of human full length recombinant HDAC3/ NcoR2 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	120	ChEMBL_2090226 (CHEMBL4771489)	Inhibition of human full length recombinant HDAC8 using p53 (379 to 382 residues) (RHK(Ac)K(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	121	ChEMBL_2090227 (CHEMBL4771490)	Inhibition of human full length recombinant HDAC4 using p53 (379 to 382 residues) Ac-LGK(TFA)-AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	122	ChEMBL_2090228 (CHEMBL4771491)	Inhibition of human full length recombinant HDAC5 using p53 (379 to 382 residues) Ac-LGK(TFA)-AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	123	ChEMBL_2090229 (CHEMBL4771492)	Inhibition of human full length recombinant HDAC7 using p53 (379 to 382 residues) Ac-LGK(TFA)-AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	124	ChEMBL_2090230 (CHEMBL4771493)	Inhibition of human full length recombinant HDAC9 using p53 (379 to 382 residues) Ac-LGK(TFA)-AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	125	ChEMBL_2090231 (CHEMBL4771494)	Inhibition of human full length recombinant HDAC10 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	126	ChEMBL_2090232 (CHEMBL4771495)	Inhibition of human full length recombinant HDAC11 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	127	ChEMBL_2090233 (CHEMBL4771496)	Inhibition of human full length recombinant HDAC6 using p53 (379 to 382 residues) (RHKK(Ac)AMC) as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence method
50013364	128	ChEMBL_2090234 (CHEMBL4771497)	Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide substrate as substrate preincubated for 24 hrs followed substrate addition and shaken for 5 secs and measured over 30 mins
50013364	129	ChEMBL_2090240 (CHEMBL4771503)	Inhibition of HDAC1 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys-Lys(Ac)) as substrate incubated for 30 mins by fluorescence method
50013364	130	ChEMBL_2090241 (CHEMBL4771504)	Inhibition of HDAC2 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys-Lys(Ac)) as substrate incubated for 30 mins by fluorescence method
50013364	131	ChEMBL_2090242 (CHEMBL4771505)	Inhibition of HDAC3/NCoR2 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys-Lys(Ac)) as substrate incubated for 30 mins by fluorescence method
50013364	132	ChEMBL_2090243 (CHEMBL4771506)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence method
50013364	133	ChEMBL_2090244 (CHEMBL4771507)	Inhibition of HDAC4 (unknown origin) (648 to 1057 residues) expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence method
50013364	134	ChEMBL_2090245 (CHEMBL4771508)	Inhibition of HDAC10 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys-Lys(Ac)) as substrate incubated for 30 mins by fluorescence method
50013364	135	ChEMBL_2090246 (CHEMBL4771509)	Inhibition of HDAC11 (unknown origin) using p53 (379 to 382 residues) (Arg-His-Lys-Lys(Ac)) as substrate incubated for 30 mins by fluorescence method
50013364	136	ChEMBL_2090247 (CHEMBL4771510)	Inhibition of HDAC8 (unknown origin) (1 to 377 residues) expressed in Escherichia coli BL21(DE3) cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence method
50013364	137	ChEMBL_2090248 (CHEMBL4771511)	Inhibition of human full length C-terminal Flag tagged HDAC1 expressed in HEK293T cells using H3K9-myristoyl peptide as substrate by HPLC method
50013364	138	ChEMBL_2090249 (CHEMBL4771512)	Inhibition of human full length C-terminal Flag tagged HDAC4 expressed in HEK293T cells using H3K9-myristoyl peptide as substrate by HPLC method
50013364	139	ChEMBL_2090250 (CHEMBL4771513)	Inhibition of HDAC5 (unknown origin)
50013364	140	ChEMBL_2090251 (CHEMBL4771514)	Inhibition of HDAC6 (unknown origin)
50013364	141	ChEMBL_2090252 (CHEMBL4771515)	Inhibition of HDAC7 (unknown origin)
50013364	142	ChEMBL_2090253 (CHEMBL4771516)	Inhibition of HDAC8 (unknown origin)
50013364	143	ChEMBL_2090254 (CHEMBL4771517)	Inhibition of HDAC9 (unknown origin)
50013364	144	ChEMBL_2090255 (CHEMBL4771518)	Inhibition of zebrafish HDAC10 (2 to 675 residues) expressed in Escherichia coli BL21(DE3) cells using N-acetylputrescine as substrate preincubated for 10 mins followed by substrate and measured after 45 to 60 mins by liquid chromatography-mass spectrometry
50013364	145	ChEMBL_2090256 (CHEMBL4771519)	Inhibition of human HDAC1 using p53 (379 to 382 residues) (RHKKAc) as substrate measured after 2 hrs by cheng-Prusoff analysis
50013364	146	ChEMBL_2090257 (CHEMBL4771520)	Inhibition of human HDAC2 using p53 (379 to 382 residues) (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	147	ChEMBL_2090258 (CHEMBL4771521)	Inhibition of human HDAC3/NcoR2 using p53 residues 379-382 (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	148	ChEMBL_2090259 (CHEMBL4771522)	Inhibition of human HDAC8 using p53 residues 379-382 (RHKAcKAc) as substrate as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	149	ChEMBL_2090260 (CHEMBL4771523)	Inhibition of human HDAC6 using p53 residues 379-382 (RHKKAc) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	150	ChEMBL_2090261 (CHEMBL4771524)	Inhibition of human HDAC11 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	151	ChEMBL_2090262 (CHEMBL4771525)	Inhibition of human HDAC4 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	152	ChEMBL_2090263 (CHEMBL4771526)	Inhibition of human HDAC5 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	153	ChEMBL_2090264 (CHEMBL4771527)	Inhibition of human HDAC7 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	154	ChEMBL_2090265 (CHEMBL4771528)	Inhibition of human HDAC9 using (Boc-Lys(trifluoroacetyl)-AMC) as substrate measured after 2 hrs by Cheng-Prusoff analysis
50013364	155	ChEMBL_2090266 (CHEMBL4771529)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf9 cells using acetyl-Lys(Ac)-AMC as substrate
50013364	156	ChEMBL_2090267 (CHEMBL4771530)	Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells using acetyl-Lys(Ac)-AMC as substrate
50013364	157	ChEMBL_2090268 (CHEMBL4771531)	Inhibition of HDAC4 (unknown origin)
50013364	158	ChEMBL_2090269 (CHEMBL4771532)	Inhibition of HDAC1 (unknown origin) using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	159	ChEMBL_2090270 (CHEMBL4771533)	Inhibition of human HDAC2 expressed in Sf9 cells using acetyl-lysine tripeptide as substrate preincubated for 10 mins followed by substrate addition and shaken for 5 secs and measured over 30 mins
50013364	160	ChEMBL_2090271 (CHEMBL4771534)	Inhibition of HDAC11 (unknown origin)
50013365	1	ChEMBL_2090281 (CHEMBL4771544)	Inhibition of wild type EGFR in human HepG2 cells assessed as cell growth inhibition measured after 72 hrs by Celltiter-Glo luminescent cell viability assay
50013365	2	ChEMBL_2090282 (CHEMBL4771545)	Inhibition of wild type EGFR in human MCF7 cells assessed as cell growth inhibition measured after 72 hrs by Celltiter-Glo luminescent cell viability assay
50013365	3	ChEMBL_2090283 (CHEMBL4771546)	Inhibition of wild type EGFR in human HT-29 cells assessed as cell growth inhibition measured after 72 hrs by Celltiter-Glo luminescent cell viability assay
50013365	4	ChEMBL_2090284 (CHEMBL4771547)	Inhibition of wild type EGFR in human A-431 cells assessed as cell growth inhibition measured after 72 hrs by Celltiter-Glo luminescent cell viability assay
50013367	1	ChEMBL_2090477 (CHEMBL4771740)	Inhibition of transport activity of human GLUT1 expressed in hexose transporter deficient VW4000fgy1 yeast cells assessed as reduction in transporter-mediated [14C]-hexose uptake into cells measured after 10 mins by scintillation counting method
50013367	2	ChEMBL_2090478 (CHEMBL4771741)	Inhibition of transport activity of human GLUT4 expressed in hexose transporter deficient W4000fgy1 erg4 yeast cells assessed as reduction in transporter-mediated [14C]-hexose uptake into cells measured after 10 mins by scintillation counting method
50013367	3	ChEMBL_2090489 (CHEMBL4771752)	Inhibition of recombinant human His6/SUMO-tagged HDAC8 expressed in Escherichia coli (BL21) DE3 pLysS using Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50013368	1	ChEMBL_2090672 (CHEMBL4771935)	Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate measured after 15 mins by Amplex red reagent based fluorescence assay
50013368	2	ChEMBL_2090673 (CHEMBL4771936)	Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate measured after 15 mins by Amplex red reagent based fluorescence assay
50013369	1	ChEMBL_2090860 (CHEMBL4772123)	Inhibition of CK1delta (unknown origin)
50013369	2	ChEMBL_2090861 (CHEMBL4772124)	Inhibition of RIPK1 in human FADD-deficient Jurkat I 2.1 cells assessed as reduction in TNFalpha-induced necroptosis measured after 24 hrs by MTS assay
50013369	3	ChEMBL_2090863 (CHEMBL4772126)	Inhibition of RIPK1 in human FADD-deficient Jurkat I 2.1 cells assessed as protection against TNFalpha-induced necroptosis measured after 24 hrs by MTS assay
50013369	4	ChEMBL_2090868 (CHEMBL4772131)	Inhibition of recombinant human RIPK1 kinase domain (8 to 322 residues) using myelin basic protein as substrate measured after 120 mins by [gamma-32P]ATP based scintillation counting method
50013369	5	ChEMBL_2090873 (CHEMBL4772136)	Inhibition of human CDK2/cyclin A using histone H1 as substrate by ADP-glo assay
50013369	6	ChEMBL_2090874 (CHEMBL4772137)	Inhibition of human recombinant CDK5/p25 expressed in bacterial expression using histone H1 as substrate by ADP-glo assay
50013369	7	ChEMBL_2090875 (CHEMBL4772138)	Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate by ADP-glo assay
50013369	8	ChEMBL_2090876 (CHEMBL4772139)	Inhibition of mouse recombinant CLK1 expressed in bacterial expression system using GRSRSRSRSRSR as substrate by ADP-glo assay
50013369	9	ChEMBL_2090877 (CHEMBL4772140)	Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate by ADP-glo assay
50013369	10	ChEMBL_2090878 (CHEMBL4772141)	Inhibition of recombinant human HASPIN kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3(1-21) peptide as substrate by ADP-glo assay
50013369	11	ChEMBL_2090879 (CHEMBL4772142)	Inhibition of recombinant human PIM1 expressed in bacterial expression system using histone H1 as substrate by ADP-glo assay
50013369	12	ChEMBL_2090880 (CHEMBL4772143)	Inhibition of recombinant human CK1epsilon expressed in baculovirus infected Sf9 insect cells using RRKHAAIGSpAYSITA as substrate by ADP-glo assay
50013369	13	ChEMBL_2090881 (CHEMBL4772144)	Inhibition of recombinant human JAK3 C-terminal domain (781 to 1124 residues) expressed in baculovirus infected Sf9 insect cells using GGEEEEYFELVKKKK as substrate by ADP-glo assay
50013369	14	ChEMBL_2090882 (CHEMBL4772145)	Inhibition of recombinant human ABL1 (118 to 535 residues) expressed in baculovirus infected Sf9 insect cells using EAIYAAPFAKKK as substrate by ADP-glo assay
50013369	15	ChEMBL_2090883 (CHEMBL4772146)	Inhibition of recombinant human RIPK3 expressed in baculovirus infected Sf9 insect cells using myelin basic protein as substrate by ADP-Glo assay
50013369	16	ChEMBL_2090884 (CHEMBL4772147)	Inhibition of recombinant human AURKB expressed in baculovirus infected Sf9 insect cells using myelin basic protein as substrate by ADP-Glo assay
50013370	1	ChEMBL_2090948 (CHEMBL4772211)	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50013370	2	ChEMBL_2090949 (CHEMBL4772212)	Agonist activity at mu-opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50013370	3	ChEMBL_2090950 (CHEMBL4772213)	Binding affinity to human NPFFR1 expressed in green monkey COS-7 cell membranes by [125I]-1DMeNPFF radioligand based saturation binding assay
50013370	4	ChEMBL_2090951 (CHEMBL4772214)	Binding affinity to human NPFFR2 expressed in green monkey COS-7 cell membranes by [125I]-1DMeNPFF radioligand based saturation binding assay
50013370	5	ChEMBL_2090952 (CHEMBL4772215)	Displacement of [125I]-1DMeNPFF from human NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method
50013370	6	ChEMBL_2090953 (CHEMBL4772216)	Displacement of [125I]-1DMeNPFF from human NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method
50013370	7	ChEMBL_2090954 (CHEMBL4772217)	Displacement of [125I]-1DMeNPFF from rat NPFFR1 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method
50013370	8	ChEMBL_2090955 (CHEMBL4772218)	Displacement of [125I]-1DMeNPFF from rat NPFFR2 expressed in HEK293 cells incubated for 2 hrs by scintillation counting method
50013370	9	ChEMBL_2090959 (CHEMBL4772222)	Agonist activity at human NPFFR2 expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cyclic cAMP accumulation
50013370	10	ChEMBL_2090960 (CHEMBL4772223)	Displacement of [125I]EYF from human NPFFR2 expressed in CHO cell membranes
50013370	11	ChEMBL_2090961 (CHEMBL4772224)	Displacement of [125I]YVP from human NPFFR1 expressed in HEK293 cells by radioligand binding assay
50013370	12	ChEMBL_2090962 (CHEMBL4772225)	Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells by gamma-counter method
50013370	13	ChEMBL_2090963 (CHEMBL4772226)	Displacement of [125I]EYF from human NPFFR2 expressed in CHO cells by gamma-counter method
50013370	14	ChEMBL_2090965 (CHEMBL4772228)	Displacement of [125I](Tyr)NPF from rat NPFFR1 expressed in rat PC12 cells incubated for 1 hr
50013370	15	ChEMBL_2090966 (CHEMBL4772229)	Agonist activity at human NPFFR2 expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding preincubated for 30 mins followed by [35S]-GTPgammaS stimulation and measured after 30 mins by scintillation counting method
50013370	16	ChEMBL_2090969 (CHEMBL4772232)	Displacement of [125I]YVP from human NPFFR1 expressed in CHO cells
50013370	17	ChEMBL_2090970 (CHEMBL4772233)	Displacement of [125I]Tyr-NPFF from human NPFFR2 expressed in green monkey Cos-1 cells
50013370	18	ChEMBL_2090971 (CHEMBL4772234)	Antagonist activity at human NPFFR1 expressed in CHO-K1 cells assessed as reversal of agonist-induced inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by LANCE ultra cAMP assay
50013370	19	ChEMBL_2090972 (CHEMBL4772235)	Antagonist activity at human NPFFR2 expressed in CHO-K1 cells assessed as reversal of agonist-induced inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by LANCE ultra cAMP assay
50013370	20	ChEMBL_2090974 (CHEMBL4772237)	Antagonist activity at human NPFFR1 expressed in CHO cells assessed as reversal of NPVF-induced inhibition of forskolin-stimulated cAMP accumulation incubated for 10 mins by liquid scintillation counting method
50013370	21	ChEMBL_2090975 (CHEMBL4772238)	Agonist activity at kappa opioid receptor (unknown origin) expressed in HEK-293A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by [3H] cAMP addition measured after 2 hrs by scintillation counting method
50013370	22	ChEMBL_2090976 (CHEMBL4772239)	Agonist activity at NPFFR1 (unknown origin) expressed in HEK-293A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by [3H] cAMP addition measured after 2 hrs by scintillation counting method
50013370	23	ChEMBL_2090977 (CHEMBL4772240)	Agonist activity at NPFFR2 (unknown origin) expressed in HEK-293A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by [3H] cAMP addition measured after 2 hrs by scintillation counting method
50013370	24	ChEMBL_2090978 (CHEMBL4772241)	Agonist activity at delta-opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50013370	25	ChEMBL_2090979 (CHEMBL4772242)	Partial agonist activity at NPFFR1 (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins
50013370	26	ChEMBL_2090980 (CHEMBL4772243)	Agonist activity at human NPFFR2 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by LANCE cAMP assay
50013370	27	ChEMBL_2090986 (CHEMBL4772249)	Agonist activity at human mu-opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition in presence of IBMX by Glo-sensor cAMP assay
50013370	28	ChEMBL_2090987 (CHEMBL4772250)	Agonist activity at human delta-opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin addition in presence of IBMX by Glo-sensor cAMP assay
50013370	29	ChEMBL_2090988 (CHEMBL4772251)	Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 15 mins followed by forskolin addition in presence of IBMX by Glo-sensor cAMP assay
50013370	30	ChEMBL_2090989 (CHEMBL4772252)	Agonist activity at human NPFFR1 expressed in CHO cells by [35S]-GTP S binding assay
50013370	31	ChEMBL_2090990 (CHEMBL4772253)	Agonist activity at human nociceptin receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 15 mins followed by forskolin addition in presence of IBMX by Glo-sensor cAMP assay
50013370	32	ChEMBL_2090991 (CHEMBL4772254)	Agonist activity at human NPFFR2 expressed in CHO cells by [35S]-GTP S binding assay
50013370	33	ChEMBL_2090997 (CHEMBL4772260)	Binding affinity to human NPFFR1 by radioligand binding assay
50013370	34	ChEMBL_2090998 (CHEMBL4772261)	Binding affinity to human NPFFR2 by radioligand binding assay
50013370	35	ChEMBL_2090999 (CHEMBL4772262)	Binding affinity to rat NPFFR1 by radioligand binding assay
50013370	36	ChEMBL_2091000 (CHEMBL4772263)	Binding affinity to rat NPFFR2 by radioligand binding assay
50013370	37	ChEMBL_2091001 (CHEMBL4772264)	Agonist activity at rat NPFFR1
50013370	38	ChEMBL_2091002 (CHEMBL4772265)	Agonist activity at rat NPFFR2
50013370	41	ChEMBL_2091008 (CHEMBL4772271)	Agonist activity at NPFFR1 (unknown origin) expressed in mouse NIH3T3 cells by receptor selection and amplification technology assay
50013370	42	ChEMBL_2091009 (CHEMBL4772272)	Agonist activity at NPFFR2 (unknown origin) expressed in mouse NIH3T3 cells by receptor selection and amplification technology assay
50013370	43	ChEMBL_2091011 (CHEMBL4772274)	Agonist activity at NPFFR1 (unknown origin) expressed in HEK293T cells harboring EP2 incubated for 15 mins by cAMP assay
50013370	44	ChEMBL_2091013 (CHEMBL4772276)	Agonist activity at NPFFR2 (unknown origin) expressed in HEK293T cells harboring EP2 incubated for 15 mins by cAMP assay
50013370	45	ChEMBL_2091014 (CHEMBL4772277)	Displacement of 125I-NPFF from human NPFFR1 incubated for 2 hrs by TopCount scintillation counting method
50013370	46	ChEMBL_2091015 (CHEMBL4772278)	Displacement of 125I-NPFF from human NPFFR2 incubated for 2 hrs by TopCount scintillation counting method
50013370	47	ChEMBL_2091016 (CHEMBL4772279)	Displacement of TAMRA-NPFF from human NPFFR2 expressed in CHO-K1 cells preincubated for 15 mins followed by GTPgammaS addition and measured after 15 to 120 mins by competitive binding assay
50013370	48	ChEMBL_2091017 (CHEMBL4772280)	Agonist activity at human NPFFR2 expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cAMP production incubated for 5 hrs by firefly/renilla luciferase reporter assay
50013370	49	ChEMBL_2091018 (CHEMBL4772281)	Displacement of [3H]-FFRF-NH2 from human FLAG-tagged NPFFR1 expressed in CHO cell membrane incubated for 30 mins by Topcount scintillation counting method
50013370	50	ChEMBL_2091019 (CHEMBL4772282)	Displacement of [3H]-FFRF-NH2 from human FLAG-tagged NPFFR2 expressed in CHO cell membrane incubated for 30 mins by Topcount scintillation counting method
50013370	51	ChEMBL_2091020 (CHEMBL4772283)	Displacement of [125I]NPFF from human NPFFR1 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method
50013370	52	ChEMBL_2091023 (CHEMBL4772286)	Displacement of [125I]NPFF from human NPFFR2 expressed in CHO cell membranes incubated for 120 mins by scintillation/luminescence counting method
50013370	53	ChEMBL_2091025 (CHEMBL4772288)	Displacement of [3H]-FFRF-NH2 from human NPFFR1 expressed in CHO cell membrane by Topcount scintillation counting method
50013370	54	ChEMBL_2091026 (CHEMBL4772289)	Displacement of [3H]-FFRF-NH2 from human NPFFR2 expressed in CHO cell membrane by Topcount scintillation counting method
50013370	55	ChEMBL_2091027 (CHEMBL4772290)	Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cell membrane by TopCount scintillation counter method
50013370	56	ChEMBL_2091028 (CHEMBL4772291)	Displacement of [125I]-Kp-10 from human KISS1R expressed in CHO cell membrane by TopCount scintillation counter method
50013370	57	ChEMBL_2091029 (CHEMBL4772292)	Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cell membrane by TopCount scintillation counter method
50013370	58	ChEMBL_2091030 (CHEMBL4772293)	Binding affinity to human NPFFR2
50013372	1	ChEMBL_2091032 (CHEMBL4772295)	Inhibition of recombinant human PDE4B expressed in Sf9 cells measured after 10 mins by luminescence based assay
50013372	2	ChEMBL_2091033 (CHEMBL4772296)	Inhibition of recombinant human PDE7A expressed in Sf9 cells measured after 10 mins by luminescence based assay
50013372	3	ChEMBL_2091034 (CHEMBL4772297)	Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50013372	4	ChEMBL_2091035 (CHEMBL4772298)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50013372	5	ChEMBL_2091048 (CHEMBL4772311)	Displacement of [3H]8-OH-DPAT from 5HT-1A receptor in rat hippocampal membrane incubated for 20 mins by competitive binding assay
50013372	6	ChEMBL_2091049 (CHEMBL4772312)	Displacement of [3H]LSD from rat cloned 5HT7 receptor incubated for 60 mins by competitive binding assay
50013372	7	ChEMBL_2091050 (CHEMBL4772313)	Binding affinity to 5HT-1A receptor (unknown origin)
50013372	8	ChEMBL_2091051 (CHEMBL4772314)	Binding affinity to 5HT7 receptor (unknown origin)
50013373	1	ChEMBL_2091060 (CHEMBL4772323)	Inhibition of human Cx43 expressed in Escherichia coli LB2003 cells in medium containing 8 mM K+ and 10 uM IPTG by measuring cell growth after 18 hrs by plate reader
50013373	2	ChEMBL_2091062 (CHEMBL4772325)	Inhibition of human Cx26 expressed in Escherichia coli LB2003 cells in medium containing 4 mM K+ and 500 uM IPTG by measuring cell growth after 18 hrs by plate reader
50013375	1	ChEMBL_2091069 (CHEMBL4772332)	Inhibition of recombinant human Top1 expressed in baculovirus infected sf9 insect cells using supercoiled pBS (SK+) DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis analysis
50013375	2	ChEMBL_2091070 (CHEMBL4772333)	Inhibition of Top1 in human MCF7 cells using supercoiled pBS (SK+) DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis analysis
50013376	1	ChEMBL_2091197 (CHEMBL4772460)	Agonist activity at human TGR5 expressed in HEK293 cells assessed as CRE-driven luciferase reporter gene activity incubated for 5.5 hrs and measured by Steady Glow reagent based luminescence assay
50013376	2	ChEMBL_2091198 (CHEMBL4772461)	Agonist activity at mouse TGR5 expressed in HEK293 cells assessed as CRE-driven luciferase reporter incubated for 5.5 hrs and measured by Steady Glow reagent based luminescence assay
50013377	1	ChEMBL_2091213 (CHEMBL4772476)	Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 hrs by FITC-labeled geldanamycin probe based fluorescence polarization assay
50013378	1	ChEMBL_2091329 (CHEMBL4772592)	Inverse agonist activity at human RORgammat assessed as inhibition of N-terminal biotinylated co-activator SRC1 recruitment measured after 60 mins by FRET assay
50013378	2	ChEMBL_2091333 (CHEMBL4772596)	Inverse agonist activity at ROR-alpha (unknown origin) expressed in HEK293 cells by Gal4-luciferase reporter assay
50013378	3	ChEMBL_2091334 (CHEMBL4772597)	Inverse agonist activity at ROR-beta (unknown origin) expressed in HEK293 cells by Gal4-luciferase reporter assay
50013378	4	ChEMBL_2091335 (CHEMBL4772598)	Inverse agonist activity at human ROR-gammat LBD expressed in HEK293T cells assessed as inhibition of RORgammat transcription by Gal4-luciferase reporter assay
50013379	1	ChEMBL_2091349 (CHEMBL4772612)	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence of ATP measured after 2 hrs by FRET-based Z-Lyte kinase assay
50013379	2	ChEMBL_2091350 (CHEMBL4772613)	Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence of ATP measured after 2 hrs by FRET-based Z-Lyte kinase assay
50013379	3	ChEMBL_2091351 (CHEMBL4772614)	Inhibition of TrkC (unknown origin) using Tyr1 peptide as substrate in presence of ATP measured after 2 hrs by FRET-based Z-Lyte kinase assay
50013379	4	ChEMBL_2091383 (CHEMBL4772646)	Binding affinity to wild-type human partial length ALK (I1088 to E1409 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013379	5	ChEMBL_2091384 (CHEMBL4772647)	Binding affinity to wild-type human partial length ARK5 (E25 to I332 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	6	ChEMBL_2091385 (CHEMBL4772648)	Binding affinity to wild-type human full length AURKC (M1 to S275 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	7	ChEMBL_2091386 (CHEMBL4772649)	Binding affinity to wild-type human partial length FAK (D402 to R696 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	8	ChEMBL_2091387 (CHEMBL4772650)	Binding affinity to wild-type human partial length FGFR1 (P357 to V669 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	9	ChEMBL_2091388 (CHEMBL4772651)	Binding affinity to wild-type human partial length FLT1 (R781 to F1239 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	10	ChEMBL_2091389 (CHEMBL4772652)	Binding affinity to wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	11	ChEMBL_2091390 (CHEMBL4772653)	Binding affinity to wild-type human partial length FLT4 (E821 to E1196 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	12	ChEMBL_2091391 (CHEMBL4772654)	Binding affinity to wild-type human partial length JAK1 JH1 catalytic domain (V856 to K1154 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	13	ChEMBL_2091392 (CHEMBL4772655)	Binding affinity to wild-type human partial length JAK2 JH1 catalytic domain (A829 to G1132 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013379	14	ChEMBL_2091393 (CHEMBL4772656)	Binding affinity to wild-type human partial length JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013379	15	ChEMBL_2091394 (CHEMBL4772657)	Binding affinity to wild-type human partial length MUSK (M553 to V869 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	16	ChEMBL_2091395 (CHEMBL4772658)	Binding affinity to wild-type human full length PHKG1 (M1 to Y387 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	17	ChEMBL_2091396 (CHEMBL4772659)	Binding affinity to wild-type human partial length RET (E713 to D1014 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	18	ChEMBL_2091397 (CHEMBL4772660)	Binding affinity to wild-type human partial length ROS1 (A1921 to N2240 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	19	ChEMBL_2091398 (CHEMBL4772661)	Binding affinity to wild-type human partial length TIE1 (T819 to A1138 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	20	ChEMBL_2091399 (CHEMBL4772662)	Binding affinity to wild-type human partial length TNK2 (S159 to D474 residues) expressed in bacterial expression system by Kinomescan method relative to control
50013379	21	ChEMBL_2091400 (CHEMBL4772663)	Binding affinity to wild-type human partial length TRKA (G475 to G790 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013379	22	ChEMBL_2091401 (CHEMBL4772664)	Binding affinity to wild-type human partial length TRKB (Q547 to G838 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013379	23	ChEMBL_2091402 (CHEMBL4772665)	Binding affinity to wild-type human partial length TRKC (Q531 to G825 residues) expressed in mammalian expression system by Kinomescan method relative to control
50013384	1	ChEMBL_2091530 (CHEMBL4772793)	Inhibition of reverse transcriptase L100I mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013384	2	ChEMBL_2091531 (CHEMBL4772794)	Inhibition of reverse transcriptase K103N mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013384	3	ChEMBL_2091532 (CHEMBL4772795)	Inhibition of reverse transcriptase Y181C mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013384	4	ChEMBL_2091533 (CHEMBL4772796)	Inhibition of reverse transcriptase Y188L mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013384	5	ChEMBL_2091534 (CHEMBL4772797)	Inhibition of reverse transcriptase E138K mutant in HIV-1 3B infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect incubated for 5 days by MTT assay
50013385	1	ChEMBL_2091551 (CHEMBL4772814)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-Glo reagent based assay
50013385	2	ChEMBL_2091552 (CHEMBL4772815)	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 as substrate measured after 45 mins in presence of ATP by LANCE Ultra assay
50013385	3	ChEMBL_2091553 (CHEMBL4772816)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-Glo reagent based assay
50013385	4	ChEMBL_2091554 (CHEMBL4772817)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-Glo reagent based assay
50013385	5	ChEMBL_2091555 (CHEMBL4772818)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-Glo reagent based assay
50013386	1	ChEMBL_2091566 (CHEMBL4772829)	Inhibition of human His-tagged SENP1 (419 to 644 residues) expressed in Escherichia coli (DE3) cells using DUB-Glo as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by luciferase assay
50013386	2	ChEMBL_2091567 (CHEMBL4772830)	Inhibition of human His-tagged SENP2 (364 to 589 residues) expressed in Escherichia coli (DE3) cells using DUB-Glo as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by luciferase assay
50013386	3	ChEMBL_2091568 (CHEMBL4772831)	Inhibition of SNEP1 (unknown origin) using CyPet-pre-SUMO-1-YPet as substrate incubated for 1 hr by FRET assay
50013386	4	ChEMBL_2091569 (CHEMBL4772832)	Inhibition of SNEP2 (unknown origin) using CyPet-pre-SUMO-1-YPet as substrate incubated for 1 hr by FRET assay
50013386	5	ChEMBL_2091570 (CHEMBL4772833)	Inhibition of recombinant human SNEP1 (419 to 644 residues) expressed in Escherichia coli (DE3) cells using RanGAP-SUMO2 substrate preincubated for 10 mins followed by substrate addition and measured after 25 min by Coomassie blue staining based SDS-PAGE analysis
50013386	6	ChEMBL_2091571 (CHEMBL4772834)	Inhibition of recombinant human SNEP2 (365 to 589 residues) expressed in Escherichia coli (DE3) cells using RanGAP-SUMO2 substrate preincubated for 10 mins followed by substrate addition and measured after 25 min by Coomassie blue staining based SDS-PAGE analysis
50013386	7	ChEMBL_2091572 (CHEMBL4772835)	Inhibition of recombinant human SNEP5 (567 to 755 residues) expressed in Escherichia coli (DE3) cells using RanGAP-SUMO2 substrate preincubated for 10 mins followed by substrate addition and measured after 25 min by Coomassie blue staining based SDS-PAGE analysis
50013388	1	ChEMBL_2091584 (CHEMBL4772847)	Binding affinity to Nur77 ligand binding domain (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50013388	2	ChEMBL_2091585 (CHEMBL4772848)	Binding affinity to Nur77 ligand binding domain (unknown origin) assessed as dissociation constant by fluorescence titration based analysis
50013389	1	ChEMBL_2091737 (CHEMBL4773000)	Inhibition of recombinant human full-length His-tagged Aurora B expressed in baculovirus expression system using 5-FAM-LRRASLG-CONH2 as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50013389	2	ChEMBL_2091738 (CHEMBL4773001)	Inhibition of FLT3 (unknown origin)
50013389	3	ChEMBL_2091739 (CHEMBL4773002)	Inhibition of KIT (unknown origin)
50013389	4	ChEMBL_2091743 (CHEMBL4773006)	Inhibition of Aurora A (unknown origin)
50013390	1	ChEMBL_2091818 (CHEMBL4773081)	Antagonist activity at human NOD1 in HEK-Blue hNOD1 cells assessed as secreted alkaline phosphatase reporter activity preincubated for 3 hrs followed by stimulated with lauroyl-gamma-D-Glu-mDAP for 20 hrs by spectrophotometer method
50013390	2	ChEMBL_2091819 (CHEMBL4773082)	Antagonist activity at human NOD2 in HEK-Blue hNOD2 cells assessed as secreted alkaline phosphatase reporter activity preincubated for 3 hrs followed by stimulated with MDP for 20 hrs by Spectrophotometer method
50013391	1	ChEMBL_2091855 (CHEMBL4773118)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured after 5 mins by LC-MS/MS analysis
50013392	1	ChEMBL_2091857 (CHEMBL4773120)	Inhibition of SYK (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated in presence of [gamma33P]ATP by image analyser
50013392	2	ChEMBL_2091858 (CHEMBL4773121)	Inhibition of BTK (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated in presence of [gamma33P]ATP by image analyser
50013393	1	ChEMBL_2092036 (CHEMBL4773299)	Inhibition of recombinant human PTP1B using pNPP as substrate measured after 30 mins
50013393	2	ChEMBL_2092037 (CHEMBL4773300)	Inhibition of recombinant human TCPTP using pNPP as substrate measured after 30 mins
50013393	3	ChEMBL_2092038 (CHEMBL4773301)	Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins
50013393	4	ChEMBL_2092046 (CHEMBL4773309)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using IR5 (1142 to 1153, pY1146) as substrate by malachite green dye based colorimetric assay
50013394	1	ChEMBL_2092047 (CHEMBL4773310)	Inhibition of recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells by catalytic enzyme-linked click chemistry assay
50013394	2	ChEMBL_2092049 (CHEMBL4773312)	Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by surface plasmon resonance analysis
50013394	3	ChEMBL_2092050 (CHEMBL4773313)	Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as binding constant by surface plasmon resonance analysis
50013395	1	ChEMBL_2092103 (CHEMBL4773366)	Inhibition of recombinant human N-terminal GST-tagged VEGFR2 (789 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 hr by ADP-Glo luminescent assay
50013397	1	ChEMBL_2092168 (CHEMBL4773431)	Inhibition of recombinant human COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's reagent based enzyme immunoassay
50013397	2	ChEMBL_2092169 (CHEMBL4773432)	Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's reagent based enzyme immunoassay
50013399	1	ChEMBL_2092194 (CHEMBL4773457)	Inhibition of APC-conjugated anti-human CXCR4 clone 12G5 binding to CXCR4 in human HPBALL cells measured after 3 hrs by FACS analysis
50013399	2	ChEMBL_2092195 (CHEMBL4773458)	Antagonist activity at CXCR4 in human CD4-positive T cells assessed as inhibition of CXCL12-induced cytosolic calcium flux preincubated for 20 mins followed by CXCL12 addition by calcium 4 dye based FLIPR TETRA analysis
50013399	3	ChEMBL_2092198 (CHEMBL4773461)	Antagonist activity at CXCR1 (unknown origin) expressed in HEK293 cells assessed as suppression of IL-8-induced inhibition of forskolin-induced cAMP formation preincubated for 15 mins followed by forskolin and IL-8 stimulation and measured after 15 mins by cAMP-d2 and Eu-Anti-cAMP based fluorescence assay
50013399	4	ChEMBL_2092212 (CHEMBL4773475)	Inhibition of human ERG stably expressed in CHO cells at -80 mV holding potential measured after 4 mins by Qpatch electrophysiological assay
50013403	1	ChEMBL_2092218 (CHEMBL4773481)	Inhibition of recombinant human FKBP12 expressed in Escherichia coli using succinyl-Ala-Phe-Pro-Phe-4-nitroanilide as substrate
50013403	2	ChEMBL_2092219 (CHEMBL4773482)	Inhibition of Legionella pneumophila Mip assessed as reduction in PPIase activity using succinyl-Ala-Leu-Pro-Phe-4-nitroanilide as substrate incubated for 4 mins by absorbance method
50013403	3	ChEMBL_2092220 (CHEMBL4773483)	Inhibition of human FKBP12 assessed as reduction in PPIase activity using succinyl-Ala-Leu-Pro-Phe-4-nitroanilide as substrate incubated for 4 mins by absorbance method
50013403	4	ChEMBL_2092228 (CHEMBL4773491)	Inhibition of human Pin1 assessed as reduction in PPIase activity using Suc-Ala-Glu-Pro-Phe-MCA as substrate measured for 20 secs by fluorescence method
50013403	5	ChEMBL_2092230 (CHEMBL4773493)	Binding affinity to Pin1 (unknown origin) preincubated for 2 hrs followed by UV irradiation for 15 mins by SDS-PAGE gel based photoaffinity labelling method
50013404	1	ChEMBL_2092312 (CHEMBL4773575)	Inhibition of recombinant human His-tagged HDAC6 expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	2	ChEMBL_2092314 (CHEMBL4773577)	Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	3	ChEMBL_2092315 (CHEMBL4773578)	Inhibition of human full-length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	4	ChEMBL_2092316 (CHEMBL4773579)	Inhibition of recombinant human GST-fused HDAC3/NCOR1 (397 to 503 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	5	ChEMBL_2092317 (CHEMBL4773580)	Inhibition of recombinant human full-length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	6	ChEMBL_2092318 (CHEMBL4773581)	Inhibition of recombinant human N-terminal GST-tagged HDAC4 (627 to end residues) expressed in baculovirus infected Sf9 insect cells using AcLeu-Gly-Lys(Tfa)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	7	ChEMBL_2092319 (CHEMBL4773582)	Inhibition of recombinant human full-length N-terminal GST-tagged HDAC5 expressed in baculovirus infected Sf9 insect cells using AcLeu-Gly-Lys(Tfa)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	8	ChEMBL_2092320 (CHEMBL4773583)	Inhibition of HDAC7 (unknown origin) using AcLeu-Gly-Lys(Tfa)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	9	ChEMBL_2092321 (CHEMBL4773584)	Inhibition of recombinant human full-length N-terminal GST-tagged HDAC9 (1 to 1069 residues) expressed in wheat germ expression system using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	10	ChEMBL_2092322 (CHEMBL4773585)	Inhibition of recombinant human C-terminal His-tagged HDAC10 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013404	11	ChEMBL_2092323 (CHEMBL4773586)	Inhibition of recombinant human N-terminal His-tagged HDAC11 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate measured after 30 mins by fluorescence assay
50013406	1	ChEMBL_2092672 (CHEMBL4773935)	Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential by two electrode voltage-clamp assay
50013407	1	ChEMBL_2092674 (CHEMBL4773937)	Inhibition of human PLK1 using casein as substrate in presence of [gamma-33P]ATP by radiometric assay
50013409	1	ChEMBL_2092771 (CHEMBL4774034)	Inhibition of recombinant human C-terminal GST-tagged full length HDAC-1 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	2	ChEMBL_2092772 (CHEMBL4774035)	Inhibition of recombinant human C-terminal GST-tagged full length HDAC-2 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	3	ChEMBL_2092773 (CHEMBL4774036)	Inhibition of recombinant human C-terminal GST-tagged full length HDAC-3 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	4	ChEMBL_2092774 (CHEMBL4774037)	Inhibition of recombinant human N-terminal GST-tagged HDAC-4 (612 to end residues) expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	5	ChEMBL_2092775 (CHEMBL4774038)	Inhibition of recombinant human N-terminal GST-tagged HDAC-5 (617 to end residues) expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	6	ChEMBL_2092777 (CHEMBL4774040)	Inhibition of recombinant human N-terminal GST-tagged full length HDAC-6 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	7	ChEMBL_2092778 (CHEMBL4774041)	Inhibition of recombinant human N-terminal GST-tagged HDAC-7 (501 to end residues) expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	8	ChEMBL_2092780 (CHEMBL4774043)	Inhibition of recombinant human N-terminal GST-tagged full length HDAC-8 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	9	ChEMBL_2092781 (CHEMBL4774044)	Inhibition of recombinant human N-terminal GST-tagged HDAC-9 (548 to end residues) expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	10	ChEMBL_2092783 (CHEMBL4774046)	Inhibition of recombinant human N-terminal GST-tagged HDAC-10 (1 to 482 residues) expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	11	ChEMBL_2092784 (CHEMBL4774047)	Inhibition of recombinant human N-terminal GST-tagged full length HDAC-11 expressed in baculovirus infected in Sf9 cells using Boc-Lys (q-Ac)-AMC as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013409	12	ChEMBL_2092876 (CHEMBL4774139)	Inhibition of human ERG
50013410	1	ChEMBL_2092914 (CHEMBL4774177)	Modulation of PCSK9 in human HepG2 cells assessed as reduction in PCSK9 expression incubated for 24 hrs prior to compound washout followed by compound addition and measured after 24 hrs by ELISA
50013412	1	ChEMBL_2092916 (CHEMBL4774179)	Inhibition of recombinant human GST-tagged RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50013412	2	ChEMBL_2092917 (CHEMBL4774180)	Inhibition of recombinant human N-terminal GST-HIS6 fused RET V804M mutant (658 to 1114 residues) expressed in Sf9 insect cells using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay
50013412	3	ChEMBL_2092920 (CHEMBL4774183)	Inhibition of EGFR (unknown origin)
50013412	4	ChEMBL_2092921 (CHEMBL4774184)	Inhibition of Aurora A (unknown origin)
50013412	5	ChEMBL_2092922 (CHEMBL4774185)	Inhibition of Aurora B (unknown origin)
50013412	6	ChEMBL_2092923 (CHEMBL4774186)	Inhibition of Nek2 (unknown origin)
50013412	7	ChEMBL_2092924 (CHEMBL4774187)	Inhibition of CSF1R (unknown origin)
50013412	8	ChEMBL_2092925 (CHEMBL4774188)	Inhibition of MAP4K4 (unknown origin)
50013412	9	ChEMBL_2092926 (CHEMBL4774189)	Inhibition of NIK (unknown origin)
50013413	1	ChEMBL_2093017 (CHEMBL4774280)	Inhibition of CXCR2 (unknown origin) expressed in HEK293T cells cotransfected with GFP-p22F assessed as reduction in IL-8-induced cAMP incubated for 10 mins followed by IL-8 stimulation and measured after 10 mins by luminescence based assay
50013413	2	ChEMBL_2093018 (CHEMBL4774281)	Antagonist activity at CXCR2 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
50013413	3	ChEMBL_2093019 (CHEMBL4774282)	Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase assessed as inhibition of CXCL8-induced beta arrestin2 recruitment preincubated for 30 mins followed by CXCL8 stimulation and measured after 5 hrs by FRET based fluorescence/Tango assay
50013413	4	ChEMBL_2093024 (CHEMBL4774287)	Inhibition of PBR (unknown origin) by radioligand binding assay
50013413	5	ChEMBL_2093025 (CHEMBL4774288)	Inhibition of 5-HT2B (unknown origin) by radioligand binding assay
50013413	6	ChEMBL_2093026 (CHEMBL4774289)	Inhibition of alpha 2a-adrenergic receptor (unknown origin) by radioligand binding assay
50013414	1	ChEMBL_2093046 (CHEMBL4774309)	Inhibition of recombinant FLAG-tagged PKD1 (unknown origin) expressed in HEK293T cells using Syntide-2 as substrate measured after 15 mins by ADP-Glo assay
50013414	2	ChEMBL_2093047 (CHEMBL4774310)	Inhibition of recombinant FLAG-tagged PKD2 (unknown origin) expressed in HEK293T cells using Syntide-2 as substrate measured after 15 mins by ADP-Glo assay
50013414	3	ChEMBL_2093048 (CHEMBL4774311)	Inhibition of recombinant FLAG-tagged PKD3 (unknown origin) expressed in HEK293T cells using Syntide-2 as substrate measured after 15 mins by ADP-Glo assay
50013415	1	ChEMBL_2093110 (CHEMBL4774373)	Inhibition of recombinant human SIRT5 using flour de lys succinyl as substrate in presence of NAD+ by fluorometric assay
50013415	2	ChEMBL_2093120 (CHEMBL4774383)	Inhibition of SIRT5 (unknown origin)
50013417	1	ChEMBL_2093130 (CHEMBL4774393)	Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate measured after 30 mins by Ellman's method
50013418	1	ChEMBL_2093195 (CHEMBL4774458)	Inhibition of Giardia lamblia carbamate Kinase preincubated for 15 mins followed by ADP and carbamate phosphate addition and measured after 20 mins by ATPLite reagent based luminescence assay
50013419	1	ChEMBL_2093235 (CHEMBL4774498)	Inhibition of recombinant MET kinase domain (unknown origin)
50013419	2	ChEMBL_2093236 (CHEMBL4774499)	Inhibition of MET in human MKN-45 cells assessed as reduction in HGF-mediated autophosphorylation
50013419	3	ChEMBL_2093237 (CHEMBL4774500)	Inhibition of recombinant VEGFR2 kinase domain (unknown origin)
50013419	4	ChEMBL_2093240 (CHEMBL4774503)	Inhibition of Axl (unknown origin)
50013419	5	ChEMBL_2093241 (CHEMBL4774504)	Inhibition of c-KIT (unknown origin)
50013419	6	ChEMBL_2093242 (CHEMBL4774505)	Inhibition of FLT3 (unknown origin)
50013419	7	ChEMBL_2093243 (CHEMBL4774506)	Inhibition of PDGFRbeta (unknown origin)
50013419	8	ChEMBL_2093244 (CHEMBL4774507)	Inhibition of RET (unknown origin)
50013419	9	ChEMBL_2093245 (CHEMBL4774508)	Inhibition of Ron (unknown origin)
50013420	1	ChEMBL_2093276 (CHEMBL4774539)	Inhibition of human ERG stably expressed in HEK293 cells by whole-cell manual patch clamp method
50013422	1	ChEMBL_2093361 (CHEMBL4774624)	Inhibition of human citrated plasma iXase (factor 8a-factor 9a complex) preincubated for 2 mins followed by factor 10 addition and measured after 1 min by FXa chromogenic substrate SXa-11 based assay
50013422	2	ChEMBL_2093362 (CHEMBL4774625)	Inhibition of factor 9a (unknown origin) binding to immobilized biotinylated oHG-11 by biolayer interferometry
50013423	1	ChEMBL_2093431 (CHEMBL4774694)	Antagonist activity at human alpha1A receptor transfected in HEK293 cells co-transfected with Galpha16 assessed as reduction in intracellular calcium release incubated for 40 mins by Fluo-4AM dye based fluorescence assay
50013423	2	ChEMBL_2093432 (CHEMBL4774695)	Antagonist activity at human alpha1B receptor transfected in HEK293 cells co-transfected with Galpha16 assessed as reduction in intracellular calcium release incubated for 40 mins by Fluo-4AM dye based fluorescence assay
50013423	3	ChEMBL_2093433 (CHEMBL4774696)	Antagonist activity at human alpha1D receptor transfected in HEK293 cells co-transfected with Galpha16 assessed as reduction in intracellular calcium release incubated for 40 mins by Fluo-4AM dye based fluorescence assay
50013425	1	ChEMBL_2093479 (CHEMBL4774742)	Inhibition of human ABL1 by Z-LYTE or ADP-Glo assay
50013425	2	ChEMBL_2093480 (CHEMBL4774743)	Inhibition of human CSF1R by Z-LYTE or ADP-Glo assay
50013425	3	ChEMBL_2093481 (CHEMBL4774744)	Inhibition of human KIT by Z-LYTE or ADP-Glo assay
50013425	4	ChEMBL_2093482 (CHEMBL4774745)	Inhibition of human PDGFR alpha by Z-LYTE or ADP-Glo assay
50013425	5	ChEMBL_2093484 (CHEMBL4774747)	Inhibition of human PDGFR beta by Z-LYTE or ADP-Glo assay
50013425	6	ChEMBL_2093485 (CHEMBL4774748)	Inhibition of human TRKA by Z-LYTE or ADP-Glo assay
50013425	7	ChEMBL_2093486 (CHEMBL4774749)	Inhibition of human TRKB by Z-LYTE or ADP-Glo assay
50013425	8	ChEMBL_2093487 (CHEMBL4774750)	Inhibition of human TRKC by Z-LYTE or ADP-Glo assay
50013425	9	ChEMBL_2093488 (CHEMBL4774751)	Inhibition of TEL fused wild type TRKA (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y490 residue after 2 hrs by Western blot analysis
50013425	10	ChEMBL_2093489 (CHEMBL4774752)	Inhibition of TEL fused wild type TRKB (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y515 residue after 2 hrs by Western blot analysis
50013425	11	ChEMBL_2093490 (CHEMBL4774753)	Inhibition of TEL fused wild type TRKC (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y516 residue after 2 hrs by Western blot analysis
50013425	12	ChEMBL_2093493 (CHEMBL4774756)	Inhibition of LMNA fused TRKA G595R mutant (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y490 residue after 2 hrs by Western blot analysis
50013425	13	ChEMBL_2093494 (CHEMBL4774757)	Inhibition of LMNA fused TRKA G667C mutant (unknown origin) transfected in mouse BaF3 cells assessed as reduction in phosphorylation at Y490 residue after 2 hrs by Western blot analysis
50013425	14	ChEMBL_2093498 (CHEMBL4774761)	Inhibition of TRKA in human KM-12-LUC cells assessed as reduction in AKT phosphorylation at T308 residue after 2 hrs by Western blot analysis
50013425	15	ChEMBL_2093499 (CHEMBL4774762)	Inhibition of TRKA in human KM-12-LUC cells assessed as reduction in ERK1/2 phosphorylation at T202/Y204 residues after 2 hrs by Western blot analysis
50013425	16	ChEMBL_2093558 (CHEMBL4774821)	Inhibition of TRKA in human KM-12-LUC cells assessed as reduction in AKT phosphorylation at S473 residue after 2 hrs by Western blot analysis
50013426	1	ChEMBL_2093664 (CHEMBL4774927)	Inhibition of wild type BCR-ABL (unknown origin) incubated for 40 mins in presence of [gamma33P]ATP by scintillation method
50013426	2	ChEMBL_2093665 (CHEMBL4774928)	Inhibition of BCR-ABL T315I mutant (unknown origin) incubated for 40 mins in presence of [gamma33P]ATP by scintillation method
50013426	3	ChEMBL_2093686 (CHEMBL4774949)	Inhibition of BRAF (unknown origin) in presence of ATP
50013426	4	ChEMBL_2093687 (CHEMBL4774950)	Inhibition of c-Src (unknown origin) in presence of ATP
50013426	5	ChEMBL_2093688 (CHEMBL4774951)	Inhibition of FLT3 (unknown origin) in presence of ATP
50013426	6	ChEMBL_2093689 (CHEMBL4774952)	Inhibition of FMS (unknown origin) in presence of ATP
50013426	7	ChEMBL_2093708 (CHEMBL4774971)	Inhibition of NanoLuc-fused ABL1 (unknown origin) expressed in human HEK293 cells incubated for 2 to 3 mins by NanoBRET assay
50013426	8	ChEMBL_2093710 (CHEMBL4774973)	Inhibition of human ERG incubated for 4 hrs by competitive fluorescence tracer binding based assay
50013427	1	ChEMBL_2093731 (CHEMBL4774994)	Inverse agonist activity at human LXRalpha transfected in human HEK293T cells co-transfected with pSG5 and pGL3/(DR-4)-c-fos-FF-luc/pCMV/Renilla-luc assessed as receptor transactivation incubated for 20 hrs by dual luciferase reporter gene assay
50013427	2	ChEMBL_2093733 (CHEMBL4774996)	Inverse agonist activity at human LXRbeta transfected in human HEK293T cells co-transfected with pSG5 and pGL3/(DR-4)-c-fos-FF-luc/pCMV/Renilla-luc assessed as receptor transactivation incubated for 20 hrs by dual luciferase reporter gene assay
50013427	3	ChEMBL_2093737 (CHEMBL4775000)	Binding affinity at LXRbeta (unknown origin) assessed as reduction in binding of FITC-hyodeoxycholic acid by fluorescence polarization assay
50013429	1	ChEMBL_2093800 (CHEMBL4775063)	Inhibition of human U-937 cells derived PDE4B using [3H] cAMP as substrate measured after 30 mins
50013429	2	ChEMBL_2093801 (CHEMBL4775064)	Inhibition of human U-937 cells derived PDE4D using [3H] cAMP as substrate measured after 30 mins
50013429	3	ChEMBL_2093803 (CHEMBL4775066)	Inhibition of PDE4B in human PBMC assessed as reduction in LPS-induced TNFalpha release preincubated for 30 mins followed by LPS stimulation and measured after 18 hrs by TR-FRET assay
50013431	1	ChEMBL_2093843 (CHEMBL4775106)	Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed in HEK293-6E cells incubated for 15 mins by TR-FRET based competition binding assay
50013431	2	ChEMBL_2093845 (CHEMBL4775108)	Inhibition of human HeLa nuclear extract derived ATM using glutathioneS-transferase-p53N66 as substrate preincubated for 10 mins followed by ATP addition and measured after 1 hr by ELISA
50013431	3	ChEMBL_2093846 (CHEMBL4775109)	Inhibition of ATM (unknown origin)
50013431	4	ChEMBL_2093851 (CHEMBL4775114)	Inhibition of full length Flag-tagged ATM (unknown origin) using GST-p53(1 to 101 residues) as substrates incubated for 90 mins
50013431	5	ChEMBL_2093853 (CHEMBL4775116)	Inhibition of ATM (unknown origin) assessed as ATM-dependent phosphorylation using GST-p53 ser15 as substrate
50013431	6	ChEMBL_2093859 (CHEMBL4775122)	Inhibition of human ERG
50013431	7	ChEMBL_2093866 (CHEMBL4775129)	Inhibition of DNA-PK in human A549 cells assessed as reduction in radiation-induced autophosphorylation at S2056 residue preincubated for 1 hr followed by 8 Gy irradiation and measured after 1 hr by ELISA
50013431	8	ChEMBL_2093874 (CHEMBL4775137)	Inhibition of full length WEE1 (unknown origin) assessed as reduction in cdc2/cyclin B phosphorylation using biotinylated histone H1 peptide (PKTPKKAKKL) preincubated for 30 mins followed by substrate and [gamma33P] addition and measured after 30 mins by scintillation proximity assay
50013431	9	ChEMBL_2093875 (CHEMBL4775138)	Inhibition of CDK1 (unknown origin)
50013431	10	ChEMBL_2093876 (CHEMBL4775139)	Inhibition of MYT1 (unknown origin)
50013431	11	ChEMBL_2093877 (CHEMBL4775140)	Inhibition of c-SRC (unknown origin)
50013431	12	ChEMBL_2093878 (CHEMBL4775141)	Inhibition of EGFR (unknown origin)
50013431	13	ChEMBL_2093879 (CHEMBL4775142)	Inhibition of FGFR1 (unknown origin)
50013431	14	ChEMBL_2093880 (CHEMBL4775143)	Inhibition of PDGFR-beta (unknown origin)
50013431	15	ChEMBL_2093881 (CHEMBL4775144)	Inhibition of N-terminal GST-fused human WEE1 (215 to 646 residues) expressed in baculovirus expression system using poly(Lys,Tyr) as substrate incubated for 30 mins in presence [gammaP]ATP by liquid scintillation counting method
50013431	16	ChEMBL_2093882 (CHEMBL4775145)	Displacement of kinase tracer178 from recombinant WEE1 (unknown origin) incubated for 1 hr by lanthascreen TR-FRET assay
50013431	17	ChEMBL_2093884 (CHEMBL4775147)	Inhibition of CDK12 (unknown origin)
50013431	18	ChEMBL_2093885 (CHEMBL4775148)	Inhibition of CDK13 (unknown origin)
50013431	19	ChEMBL_2093886 (CHEMBL4775149)	Inhibition of human CDK7 incubated for 180 mins by LanthaScreen Eu Kinase binding assay
50013431	20	ChEMBL_2093887 (CHEMBL4775150)	Inhibition of human CDK12/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method
50013431	21	ChEMBL_2093888 (CHEMBL4775151)	Inhibition of CDK13/human cyclin K expressed in baculovirus-infected insect cells using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method
50013431	22	ChEMBL_2093889 (CHEMBL4775152)	Inhibition of human CDK12 (696 to 1082 residues)/human cyclinK (1 to 267 residues) using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method
50013431	23	ChEMBL_2093899 (CHEMBL4775162)	Inhibition of human RAD51 using 90-mer ssDNA as substrate measured after 30 mins by D-loop assay
50013431	24	ChEMBL_2093901 (CHEMBL4775164)	Inhibition of FAM-conjugated ssDNA binding to His-tagged wild type RAD52 (unknown origin) expressed in Rosetta2(DE3)/pLysS cells measured after 30 mins by fluorescence polarization assay
50013431	25	ChEMBL_2093902 (CHEMBL4775165)	Inhibition of human RAD52 assessed as reduction in DNA annealing using tailed ds-DNA 337-F/1337-BHQ1 by fluorescence-quenching assay
50013431	26	ChEMBL_2093903 (CHEMBL4775166)	Inhibition of 6His-tagged human RD52 assessed as reduction in RD52 binding to Cy3-dT30-Cy5 ssDNA incubated for 30 mins by FRET assay
50013431	27	ChEMBL_2093904 (CHEMBL4775167)	Inhibition of PI3K alpha (unknown origin)
50013431	28	ChEMBL_2093905 (CHEMBL4775168)	Inhibition of PI3K beta (unknown origin)
50013431	29	ChEMBL_2093906 (CHEMBL4775169)	Inhibition of PI3K delta (unknown origin)
50013432	1	ChEMBL_2093907 (CHEMBL4775170)	Antagonist activity at human MC3R expressed in HEK293 cells expressing the GScAMP22F cAMP reporter assessed as reduction in alpha-MSH-induced cAMP accumulation by cAMP split-luciferase reporter gene assay
50013432	2	ChEMBL_2093908 (CHEMBL4775171)	Antagonist activity at human MC4R expressed in HEK293 cells expressing the GScAMP22F cAMP reporter assessed as reduction in alpha-MSH-induced cAMP accumulation by cAMP split-luciferase reporter gene assay
50013432	3	ChEMBL_2093910 (CHEMBL4775173)	Agonist activity at human MC3R expressed in HEK293 cells expressing the GScAMP22F cAMP reporter assessed as effect on cAMP accumulation by cAMP split-luciferase reporter gene assay
50013432	4	ChEMBL_2093912 (CHEMBL4775175)	Agonist activity at human MC4R expressed in HEK293 cells expressing the GScAMP22F cAMP reporter assessed as effect on cAMP accumulation by cAMP split-luciferase reporter gene assay
50013432	5	ChEMBL_2093916 (CHEMBL4775179)	Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC3R expressed in HEK293 cell membranes incubated for 120 mins
50013432	6	ChEMBL_2093917 (CHEMBL4775180)	Displacement of [125I]-[NIe,DPhe7]-alpha-MSH from human MC4R expressed in HEK293 cell membranes incubated for 120 mins
50013434	1	ChEMBL_2093986 (CHEMBL4775249)	Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 0 mins in presence of NADPH followed by addition of substrate by LC-MS/MS analysis
50013434	2	ChEMBL_2093987 (CHEMBL4775250)	Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 0 mins in presence of NADPH followed by addition of substrate by LC-MS/MS analysis
50013434	3	ChEMBL_2093988 (CHEMBL4775251)	Inhibition of human CYP3A4 in human pooled liver microsomes in presence of testosterone as substrate preincubated for 30 mins in presence of NADPH followed by addition of substrate by LC-MS/MS analysis
50013434	4	ChEMBL_2093989 (CHEMBL4775252)	Inhibition of human CYP3A4 in human pooled liver microsomes in presence of midazolam as substrate preincubated for 30 mins in presence of NADPH followed by addition of substrate by LC-MS/MS analysis
50013435	1	ChEMBL_2094005 (CHEMBL4775268)	Binding affinity to human PDL1 assessed as reduction in PDL1/human PD1protein-protein interaction by HTRF binding assay
50013435	2	ChEMBL_2094006 (CHEMBL4775269)	Binding affinity to PDL1 (unknown origin) assessed as reduction in PDL1/PD1 protein-protein interaction preincubated for 15 mins followed by PD1 addition and measured after 15 mins by HTRF binding assay
50013435	3	ChEMBL_2094008 (CHEMBL4775271)	Inhibition of STAT3 (unknown origin)
50013436	1	ChEMBL_2094016 (CHEMBL4775279)	Inhibition of NLRP3 in mouse BMDMs
50013436	2	ChEMBL_2094017 (CHEMBL4775280)	Inhibition of NLRP3 in human monocyte-derived macrophages
50013436	3	ChEMBL_2094023 (CHEMBL4775286)	Inhibition of NLRP3 in PMA-stimulated human THP-1 cells assessed as reduction in IL-1beta release pre-treated for 24 hrs followed by stimulation with LPS for 3 hrs and ATP for 1 hr by ELISA analysis
50013436	4	ChEMBL_2094040 (CHEMBL4775303)	Binding affinity to biotinylated human recombinant NLRP3 PYD domain by biolayer interferometry assay
50013436	5	ChEMBL_2094041 (CHEMBL4775304)	Binding affinity to biotinylated human recombinant NLRP3 NACHT domain by biolayer interferometry assay
50013437	1	ChEMBL_2094084 (CHEMBL4775347)	Displacement of [125I] [NIe75, Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by gamma counting based Cheng-Prusoff equation analysis
50013437	2	ChEMBL_2094085 (CHEMBL4775348)	Agonist activity at human APJ receptor expressed in HEK293 cells co-expressing Galpha(i1)-RlucII(91) assessed as induction of dissociation of Galpha(i1) from G-beta-gamma subunits incubated for 5 mins by BRET assay
50013437	3	ChEMBL_2094086 (CHEMBL4775349)	Agonist activity at human APJ receptor expressed in HEK293T cells co-expressing PDZ-Rho-Gef-RLucll assessed as induction of Galpha12 effector (PDZ-RhoGEF) to the cell membrane incubated for 5 mins by BRET assay
50013437	4	ChEMBL_2094088 (CHEMBL4775351)	Agonist activity at human APJ receptor expressed in HEK293 cells co-expressing Rlucll-beta-arrestin2 assessed as induction of beta-arrestin2 recruitment to APJ incubated for 30 mins by BRET assay
50013438	1	ChEMBL_2094125 (CHEMBL4775388)	Binding affinity to human ERG by dofetilide fluorescence polarization binding assay
50013438	2	ChEMBL_2094139 (CHEMBL4775402)	Inhibition of CYP1A2 (unknown origin)
50013438	3	ChEMBL_2094140 (CHEMBL4775403)	Inhibition of CYP2C8 (unknown origin)
50013438	4	ChEMBL_2094141 (CHEMBL4775404)	Inhibition of CYP2C9 (unknown origin)
50013438	5	ChEMBL_2094142 (CHEMBL4775405)	Inhibition of CYP2D6 (unknown origin)
50013438	6	ChEMBL_2094143 (CHEMBL4775406)	Inhibition of CYP3A4 (unknown origin)
50013438	7	ChEMBL_2094146 (CHEMBL4775409)	Inhibition of human ERG by patch clamp assay
50013442	1	ChEMBL_2094154 (CHEMBL4775417)	Binding affinity to human RXR-alpha LBD incubated for 2 hrs by tryptophan fluorescence quenching assay
50013442	2	ChEMBL_2094155 (CHEMBL4775418)	Displacement of [3H]-9-cis retinoic acid from recombinant human RXR-alpha LBD by liquid scintillation counting based competitive ligand binding assay
50013442	3	ChEMBL_2094156 (CHEMBL4775419)	Binding affinity to human RXR-alpha by ITC analysis
50013444	1	ChEMBL_2094171 (CHEMBL4775434)	Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay
50013444	2	ChEMBL_2094172 (CHEMBL4775435)	Binding affinity to human integrin alpha5beta1 incubated for 1 hr by ELISA based solid phase integrin binding assay
50013444	3	ChEMBL_2094174 (CHEMBL4775437)	Binding affinity to human integrin alphaVbeta6 incubated for 1 hr by ELISA based solid phase integrin binding assay
50013444	4	ChEMBL_2094175 (CHEMBL4775438)	Binding affinity to human integrin alphaVbeta8 incubated for 1 hr by ELISA based solid phase integrin binding assay
50013444	5	ChEMBL_2094176 (CHEMBL4775439)	Binding affinity to human integrin alpha2bbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assay
50013447	1	ChEMBL_2094235 (CHEMBL4775498)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated for 30 mins followed by ATP addition and measured after 4 hrs by ELISA method
50013447	2	ChEMBL_2094236 (CHEMBL4775499)	Inhibition of NLRP3 inflammasome activation in LPS-primed human monocyte derived macrophages assessed as reduction in IL-1beta level preincubated for 30 mins followed by Pam3CSK4 addition and measured after 4 hrs by ELISA method
50013448	1	ChEMBL_2094251 (CHEMBL4775514)	Agonist activity at VDR in human HL-60 cells assessed as induction of cell differentiation of promyelocytes to monocytes after 4 days by NBT reduction assay
50013448	2	ChEMBL_2094255 (CHEMBL4775518)	Displacement of [3H]-1-alpha,25-(OH)2D3 from bovine thymus VDR incubated for 18 hrs by competitive binding assay
50013448	3	ChEMBL_2094256 (CHEMBL4775519)	Agonist activity at human VDR expressed in African green monkey COS7 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50013448	4	ChEMBL_2094257 (CHEMBL4775520)	Agonist activity at human VDR expressed in HEK293 cells expressing mouse osteopontin VDRE assessed as induction of receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50013449	1	ChEMBL_2094260 (CHEMBL4775523)	Inhibition of ACMSD (unknown origin)
50013449	2	ChEMBL_2094261 (CHEMBL4775524)	Competitive inhibition of human ACMSD using ACMS substrate by spectrometry
50013449	3	ChEMBL_2094262 (CHEMBL4775525)	Inhibition of human ACMSD using ACMS substrate by spectrometry
50013449	4	ChEMBL_2094263 (CHEMBL4775526)	Inhibition of human ACMSD in presence of 10 uM 3-HAA by coupled assay
50013450	1	ChEMBL_2094264 (CHEMBL4775527)	Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay
50013450	2	ChEMBL_2094265 (CHEMBL4775528)	Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay
50013450	3	ChEMBL_2094266 (CHEMBL4775529)	Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation
50013450	4	ChEMBL_2094299 (CHEMBL4775562)	Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay based Morrison titration analysis
50013450	5	ChEMBL_2094300 (CHEMBL4775563)	Inhibition of TYK2 in IL-23 stimulated human Kit225 T cells by luciferase reporter gene assay
50013450	6	ChEMBL_2094301 (CHEMBL4775564)	Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation
50013450	7	ChEMBL_2094311 (CHEMBL4775574)	Inhibition of CYP1A2 (unknown origin)
50013450	8	ChEMBL_2094312 (CHEMBL4775575)	Inhibition of CYP3A4 (unknown origin)
50013450	9	ChEMBL_2094313 (CHEMBL4775576)	Inhibition of CYP2B6 (unknown origin)
50013450	10	ChEMBL_2094314 (CHEMBL4775577)	Inhibition of CYP2C9 (unknown origin)
50013450	11	ChEMBL_2094315 (CHEMBL4775578)	Inhibition of CYP2D6 (unknown origin)
50013450	12	ChEMBL_2094316 (CHEMBL4775579)	Inhibition of CYP2C19 (unknown origin)
50013450	13	ChEMBL_2094317 (CHEMBL4775580)	Inhibition of JAK1 JH2 domain (unknown origin)
50013452	1	ChEMBL_2094322 (CHEMBL4775585)	Inhibition of rat alpha-2,3-N-ST3GALIII assessed as reduction in sialylated-product formation using Gal-beta1-4Glc and CMP-NeuSAc incubated for 1.5 hrs by reverse-phase HPLC analysis
50013452	2	ChEMBL_2094323 (CHEMBL4775586)	Inhibition of human alpha-2,6-ST6GAL1 assessed as reduction in sialylated-product formation using Gal-beta1-4GlcNac and CMP-NeuSAc incubated for 15 mins by reverse-phase HPLC analysis
50013452	3	ChEMBL_2094327 (CHEMBL4775590)	Inhibition of rat alpha-2,3-O-ST3GALI assessed as reduction in sialylated-product formation using p-nitrophenyl T-antigen and CMP-NeuSAc incubated for 15 mins by reverse-phase HPLC analysis
50013453	1	ChEMBL_2094369 (CHEMBL4775632)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method
50013453	2	ChEMBL_2094371 (CHEMBL4775634)	Displacement of [3H]-pentazocine from sigma-1 receptor in human Jurkat cell membrane incubated for 2 hr by liquid scintillation counting method
50013453	3	ChEMBL_2094373 (CHEMBL4775636)	Displacement of [3H]-DTG from sigma-2 receptor in human Jurkat cell membrane incubated for 1 hr by liquid scintillation counting method
50013453	4	ChEMBL_2094379 (CHEMBL4775642)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes incubated for 1 hr in presence of 250 uM phenytoin liquid scintillation counting method
50013453	5	ChEMBL_2094396 (CHEMBL4775659)	Binding affinity to human sigma-1 receptor
50013454	1	ChEMBL_2094397 (CHEMBL4775660)	Agonist activity at A2B receptor (unknown origin)
50013454	2	ChEMBL_2094398 (CHEMBL4775661)	Antagonist activity at human A2B receptor
50013454	3	ChEMBL_2094399 (CHEMBL4775662)	Displacement of [3H]ZM2421385 from adenosine A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by scintillation counting method
50013454	4	ChEMBL_2094401 (CHEMBL4775664)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method
50013454	5	ChEMBL_2094404 (CHEMBL4775667)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method
50013454	6	ChEMBL_2094406 (CHEMBL4775669)	Displacement of [3H]NECA from adenosine A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by scintillation counting method
50013455	1	ChEMBL_2094423 (CHEMBL4775686)	Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis
50013455	2	ChEMBL_2094429 (CHEMBL4775692)	Inhibition of probe-5 binding to human TNFalpha (77 to 233 residues) at 1 nM by fluorescence polarization assay
50013455	3	ChEMBL_2094435 (CHEMBL4775698)	Inhibition of TNFalpha in mouse L929 cells exposed to compound incubated for 1 hr with mouse TNFalpha by luminescence based assay
50013456	1	ChEMBL_2094458 (CHEMBL4775721)	Displacement of [3H]9cis-RA from human RXRalpha-LBD by competitive binding assay
50013456	2	ChEMBL_2094462 (CHEMBL4775725)	Binding affinity to human RXRalpha-LBD assessed as binding constant from binding ratio at 327 nm by fluorometric titration assay
50013456	3	ChEMBL_2094464 (CHEMBL4775727)	Binding affinity to human RXRalpha-LBD by fluorescence binding assay
50013456	4	ChEMBL_2094465 (CHEMBL4775728)	Displacement of 6-(Ethyl-{5-isobutoxy-4-isopropyl-2-[(10-oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carbonyl)-amino]-phenyl}-amino)-nicotinic acid from human RXRalpha-LBD by by fluorescence binding assay
50013457	1	ChEMBL_2094480 (CHEMBL4775743)	Binding affinity to VDR (unknown origin) by fluorescence polarization assay
50013458	1	ChEMBL_2094494 (CHEMBL4775757)	Antagonist activity at human CB2 receptor expressing CHO cells co-expressing Galpha16 assessed as inhibition of CP55940-induced calcium mobilization pre-incubated for 15 mins before CP55940 addition
50013458	2	ChEMBL_2094495 (CHEMBL4775758)	Agonist activity at CB1 receptor (unknown origin)
50013458	3	ChEMBL_2094496 (CHEMBL4775759)	Agonist activity at CB2 receptor (unknown origin)
50013458	4	ChEMBL_2094498 (CHEMBL4775761)	Agonist activity at human CB1 receptor expressing CHO cells co-expressing Galpha16 by calcium mobilization assay
50013458	5	ChEMBL_2094500 (CHEMBL4775763)	Agonist activity at human CB2 receptor expressing CHO cells co-expressing Galpha16 by calcium mobilization assay
50013458	6	ChEMBL_2094518 (CHEMBL4775781)	Agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production incubated for 15 mins by cAMP HTRF assay
50013458	7	ChEMBL_2094522 (CHEMBL4775785)	Agonist activity at human CB1 receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay based Tango beta-arrestin recruitment method
50013458	8	ChEMBL_2094523 (CHEMBL4775786)	Agonist activity at human CB2 receptor expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay based Tango beta-arrestin recruitment method
50013459	1	ChEMBL_2094542 (CHEMBL4775805)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of 30 nM capsaicin-induced calcium uptake
50013459	2	ChEMBL_2094543 (CHEMBL4775806)	Displacement of [3H]RTX from human TRPV1 expressed in CHO cells
50013459	3	ChEMBL_2094544 (CHEMBL4775807)	Agonist activity at human TRPV1 expressed in CHO cells assessed as stimulation of calcium uptake by 45Ca2+ uptake assay
50013459	4	ChEMBL_2094547 (CHEMBL4775810)	Antagonist activity at human TRPV1 expressed in HEK cells assessed as inhibition of 10 nM capsaicin-induced calcium uptake by FLIPR assay
50013460	1	ChEMBL_2094566 (CHEMBL4775829)	Inhibition of human GRK5 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay
50013460	2	ChEMBL_2094567 (CHEMBL4775830)	Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay
50013460	3	ChEMBL_2094573 (CHEMBL4775836)	Covalent inhibition of GRK5 (unknown origin) using porcine brain tubulin as substrate by [gamma32P]ATP based radiometric assay
50013462	1	ChEMBL_2094584 (CHEMBL4775847)	Inhibition of CD73 in human SK-OV-3 cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	2	ChEMBL_2094585 (CHEMBL4775848)	Inhibition of human CD39 expressed in CHO cells incubated for 4 hrs before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	3	ChEMBL_2094586 (CHEMBL4775849)	Inhibition of human CD73 expressed in CHO cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	4	ChEMBL_2094587 (CHEMBL4775850)	Inhibition of soluble human CD73 incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	5	ChEMBL_2094588 (CHEMBL4775851)	Inhibition of mouse CD73 expressed in CHO cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	6	ChEMBL_2094589 (CHEMBL4775852)	Inhibition of soluble mouse CD73 incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay
50013462	7	ChEMBL_2094590 (CHEMBL4775853)	Inhibition of A2AR (unknown origin) expressed in CHO cells assessed as reduction in NECA-stimulated cellular cAMP levels incubated for 90 mins by FRET assay
50013462	8	ChEMBL_2094591 (CHEMBL4775854)	Inhibition of human NTPDase-2 expressed in CHO-K1 cells in presence of DNA/LTX mixture
50013462	9	ChEMBL_2094592 (CHEMBL4775855)	Inhibition of human NTPDase-3 expressed in CHO-K1 cells in presence of DNA/LTX mixture
50013462	10	ChEMBL_2094593 (CHEMBL4775856)	Inhibition of human NTPDase-8 expressed in CHO-K1 cells in presence of DNA/LTX mixture
50013463	1	ChEMBL_2094601 (CHEMBL4775864)	Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator assay
50013463	2	ChEMBL_2094608 (CHEMBL4775871)	Potentiation of CFTR G551D mutant (unknown origin) expressed in human HEK293 cells co-expressing YFP incubated for 10 mins by halide potentiator assay
50013463	3	ChEMBL_2094620 (CHEMBL4775883)	Potentiation of CFTR F508del mutant in human HBE cells by trans-epithelial clamp circuit assay
50013463	4	ChEMBL_2094624 (CHEMBL4775887)	Inhibition of CYP1A2 (unknown origin)
50013463	5	ChEMBL_2094625 (CHEMBL4775888)	Inhibition of CYP2C19 (unknown origin)
50013463	6	ChEMBL_2094626 (CHEMBL4775889)	Inhibition of CYP2C9 (unknown origin)
50013463	7	ChEMBL_2094627 (CHEMBL4775890)	Inhibition of CYP2D6 (unknown origin)
50013463	8	ChEMBL_2094628 (CHEMBL4775891)	Inhibition of CYP3A4 (unknown origin)
50013463	9	ChEMBL_2094629 (CHEMBL4775892)	Inhibition of human ERG by manual patch clamp assay
50013464	1	ChEMBL_2094660 (CHEMBL4775923)	Inhibition of purified recombinant human NEK7 incubated for 15 mins before ATP and substrate addition and further incubated for 40 mins by ADPGlo kinase assay
50013464	2	ChEMBL_2094661 (CHEMBL4775924)	Binding affinity to purified recombinant human NEK7 by SPR analysis
50013465	2	ChEMBL_2099865 (CHEMBL4808261)	Activation of mouse STING expressed in RAW-Lucia ISG cells incubated for 24 hrs by quanti-blue SEAP reporter gene assay
50013465	3	ChEMBL_2099873 (CHEMBL4808269)	Inhibition of human ERG
50013465	4	ChEMBL_2099887 (CHEMBL4808283)	Binding affinity to 6His-tagged human STING measured after 3 hrs by HTRF assay
50013465	5	ChEMBL_2099898 (CHEMBL4808294)	Inhibition of [3H]-cGAMP binding to STING (unknown origin)
50013465	6	ChEMBL_2099899 (CHEMBL4808295)	Activation of STING in human peripheral mononuclear blood
50013465	7	ChEMBL_2099900 (CHEMBL4808296)	Agonist activity at wild type human STING expressed in baculovirus infected Sf21 insect cells
50013465	8	ChEMBL_2099902 (CHEMBL4808298)	Agonist activity at STING in human THP-1 cells
50013466	1	ChEMBL_2099903 (CHEMBL4808299)	Displacement of [125I] [NIe75,Tyr77]Pyr-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cells incubated for 1 hr by gamma counting analysis
50013466	2	ChEMBL_2099904 (CHEMBL4808300)	Agonist activity at human APJ receptor expressed in HEK293T cells co-expressing Galphai1 RlucII assessed as dissociation of Galphai1 from Gbetta/gamma subunit measured using coelenterazine luciferase substrate incubated for 5 mins by BRET assay
50013466	3	ChEMBL_2099905 (CHEMBL4808301)	Agonist activity at human APJ receptor expressed in HEK293T cells co-expressing PDZ-Rho-Gef-RLucll and rGFP-CAAX assessed as induction of recruitment of Galpha12 to cell membrane using coelenterazine luciferase substrate incubated for 5 mins by BRET assay
50013466	4	ChEMBL_2099906 (CHEMBL4808302)	Agonist activity at human APJ receptor expressed in HEK293 cells co-expressing Rlucll-beta-arrestin2 assessed as induction of beta-arrestin2 recruitment to receptor incubated for 30 mins by BRET assay
50013468	1	ChEMBL_2099969 (CHEMBL4808365)	Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in HEK293 cells incubated for 120 mins by radiometric scintillation analysis
50013472	1	ChEMBL_2099973 (CHEMBL4808369)	Inhibition of Galphaq/11 (unknown origin) expressed in CHO cells coexpressing M1 receptor assessed as reduction in carbachol-induced IP1 accumulation preincubated for 1 hr followed by carbachol stimulation and measured after 1 hr by HTRF assay
50013472	2	ChEMBL_2099984 (CHEMBL4808380)	Binding affinity to Galphaq/11 (unknown origin) expressed in HEK293 cells cotransfected with AT1R/Galphaq-RLuc8/ Ggamma2-venus/Gbeta1 assessed as inhibition of Ang-II induced-BRET signal preincubated for 1 hr followed by Ang-II addition by BRET assay
50013472	3	ChEMBL_2100038 (CHEMBL4808434)	Inhibition of Galphaq/11 (unknown origin)
50013473	1	ChEMBL_2100039 (CHEMBL4808435)	Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellular target engagement assay
50013474	1	ChEMBL_2100081 (CHEMBL4808477)	Inhibition of CYP1A2 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tandem mass spectrometry
50013474	2	ChEMBL_2100082 (CHEMBL4808478)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tandem mass spectrometry
50013474	3	ChEMBL_2100083 (CHEMBL4808479)	Inhibition of CYP2C19 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tandem mass spectrometry
50013474	4	ChEMBL_2100084 (CHEMBL4808480)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tandem mass spectrometry
50013474	5	ChEMBL_2100085 (CHEMBL4808481)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in midazolam 1-hydroxylase activity by . high-pressure liquid chromatography-tandem mass spectrometry
50013474	6	ChEMBL_2100086 (CHEMBL4808482)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in testosterone 6beta-hydroxylation activity by high-pressure liquid chromatography-tandem mass spectrometry
50013475	1	ChEMBL_2100237 (CHEMBL4808633)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells co-expressing luc2P/SRE assessed as firefly luciferase activity incubated for 24 hrs by Bright-Glo based serum response element (SRE) luciferase reporter assay
50013475	2	ChEMBL_2100239 (CHEMBL4808635)	Agonist activity at human PPARgamma expressed in CHO cells assessed as increase in receptor transcriptional activity incubated for 24 hrs by dual luciferase reporter gene assay
50013475	3	ChEMBL_2100242 (CHEMBL4808638)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells co-expressing luc2P/CRE (Gs) assessed as firefly luciferase activity at 10 uM incubated for 24 hrs by Bright-Glo based serum response element (SRE) luciferase reporter assay
50013475	4	ChEMBL_2100244 (CHEMBL4808640)	Agonist activity at GPR40 (unknown origin) expressed in CHO cells assessed as increase in cAMP level incubated for 30 mins by cAMP-Glo assay
50013475	5	ChEMBL_2100276 (CHEMBL4808672)	Agonist activity at FFAR2 (unknown origin)
50013475	6	ChEMBL_2100277 (CHEMBL4808673)	Agonist activity at FFAR3 (unknown origin)
50013475	7	ChEMBL_2100278 (CHEMBL4808674)	Agonist activity at FFAR4 (unknown origin)
50013476	1	ChEMBL_2100290 (CHEMBL4808686)	Inhibition of fluorescent antagonist binding to human P2Y14 receptor expressed in CHO cells preincubated with compound for 30 mins followed by fluorescent antagonist addition and measured after 30 mins by flow cytometry analysis
50013476	2	ChEMBL_2100291 (CHEMBL4808687)	Inhibition of fluorescent antagonist binding to mouse P2Y14 receptor expressed in HEK293 cells preincubated with compound for 30 mins followed by fluorescent antagonist addition and measured after 30 mins by flow cytometry analysis
50013476	3	ChEMBL_2100294 (CHEMBL4808690)	Binding affinity to sigma 1 receptor (unknown origin)
50013476	4	ChEMBL_2100295 (CHEMBL4808691)	Binding affinity to sigma 2 receptor (unknown origin)
50013476	5	ChEMBL_2100296 (CHEMBL4808692)	Binding affinity to DOR (unknown origin)
50013476	6	ChEMBL_2100297 (CHEMBL4808693)	Binding affinity to TSPO (unknown origin)
50013476	7	ChEMBL_2100298 (CHEMBL4808694)	Binding affinity to H1 receptor (unknown origin)
50013476	8	ChEMBL_2100300 (CHEMBL4808696)	Binding affinity to alpha1b (unknown origin)
50013476	9	ChEMBL_2100301 (CHEMBL4808697)	Binding affinity to alpha2a (unknown origin)
50013476	10	ChEMBL_2100303 (CHEMBL4808699)	Binding affinity to D1 receptor (unknown origin)
50013476	11	ChEMBL_2100304 (CHEMBL4808700)	Binding affinity to D5 receptor (unknown origin)
50013476	12	ChEMBL_2100305 (CHEMBL4808701)	Binding affinity to 5HT1E (unknown origin)
50013476	13	ChEMBL_2100306 (CHEMBL4808702)	Binding affinity to 5HT5A (unknown origin)
50013476	14	ChEMBL_2100307 (CHEMBL4808703)	Binding affinity to alpha1a (unknown origin)
50013476	15	ChEMBL_2100308 (CHEMBL4808704)	Binding affinity to alpha2c (unknown origin)
50013476	16	ChEMBL_2100309 (CHEMBL4808705)	Binding affinity to beta3 (unknown origin)
50013476	17	ChEMBL_2100311 (CHEMBL4808707)	Binding affinity to H4 receptor (unknown origin)
50013476	18	ChEMBL_2100312 (CHEMBL4808708)	Binding affinity to 5HT1D (unknown origin)
50013476	19	ChEMBL_2100315 (CHEMBL4808711)	Inhibition of CYP1A2 (unknown origin)
50013476	20	ChEMBL_2100316 (CHEMBL4808712)	Inhibition of CYP2C9 (unknown origin)
50013476	21	ChEMBL_2100317 (CHEMBL4808713)	Inhibition of CYP2C19 (unknown origin)
50013476	22	ChEMBL_2100318 (CHEMBL4808714)	Inhibition of CYP2D6 (unknown origin)
50013476	23	ChEMBL_2100319 (CHEMBL4808715)	Inhibition of CYP3A4 (unknown origin)
50013476	24	ChEMBL_2100325 (CHEMBL4808721)	Inhibition of full length human ERG expressed in CHO cells by patch-clamp method
50013477	1	ChEMBL_2100444 (CHEMBL4808840)	Inhibition of human PDE5A1 catalytic domain (Glu535 to Gln860 residues) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate preincubated for 15 mins followed by snake venom 5'-nucleotidase and further incubated for 10 mins by scintillation counting method
50013477	2	ChEMBL_2100445 (CHEMBL4808841)	Inhibition of human full length His-tagged PDE5A1 expressed in baculovirus infected Sf9 insect cells using [3H]-cGMP as substrate preincubated for 15 mins followed by snake venom 5'-nucleotidase and further incubated for 10 mins by scintillation counting method
50013477	3	ChEMBL_2100446 (CHEMBL4808842)	Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	4	ChEMBL_2100447 (CHEMBL4808843)	Inhibition of recombinant 6His-tagged PDE5A1 catalytic domain (unknown origin) expressed in Escherichia coli using TAMRA-cGMP or FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	5	ChEMBL_2100448 (CHEMBL4808844)	Inhibition of recombinant full length GST-tagged PDE1A (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	6	ChEMBL_2100449 (CHEMBL4808845)	Inhibition of recombinant full length GST-tagged PDE1A (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	7	ChEMBL_2100450 (CHEMBL4808846)	Inhibition of recombinant full length GST-tagged PDE2A (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	8	ChEMBL_2100451 (CHEMBL4808847)	Inhibition of recombinant full length GST-tagged PDE2A (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	9	ChEMBL_2100452 (CHEMBL4808848)	Inhibition of recombinant GST-tagged PDE3A (669 to end residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	10	ChEMBL_2100453 (CHEMBL4808849)	Inhibition of recombinant GST-tagged PDE3A (669 to end residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	11	ChEMBL_2100454 (CHEMBL4808850)	Inhibition of recombinant full length GST-tagged PDE4B2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	12	ChEMBL_2100455 (CHEMBL4808851)	Inhibition of recombinant full length GST-tagged PDE6C (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	13	ChEMBL_2100456 (CHEMBL4808852)	Inhibition of recombinant GST-tagged PDE7A (122 to end residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	14	ChEMBL_2100457 (CHEMBL4808853)	Inhibition of recombinant GST-tagged full length PDE8A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	15	ChEMBL_2100458 (CHEMBL4808854)	Inhibition of recombinant GST-tagged full length PDE9A2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	16	ChEMBL_2100459 (CHEMBL4808855)	Inhibition of recombinant GST-tagged full length PDE10A2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	17	ChEMBL_2100460 (CHEMBL4808856)	Inhibition of recombinant GST-tagged full length PDE10A2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	18	ChEMBL_2100461 (CHEMBL4808857)	Inhibition of recombinant GST-tagged full length PDE11A4 (unknown origin) expressed in baculovirus infected Sf9 insect cells using FAM-cAMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	19	ChEMBL_2100462 (CHEMBL4808858)	Inhibition of recombinant GST-tagged full length PDE11A4 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as substrate incubated for 1.5 hrs by IMAP-FP assay
50013477	20	ChEMBL_2100470 (CHEMBL4808866)	Inhibition of PDE5A in HEK293 cells stably transfected with cGMP biosensor assessed as increase in SNP-induced intracellular cGMP level measured after 90 mins by luminescence assay
50013478	1	ChEMBL_2100489 (CHEMBL4808885)	Displacement of 125I-glucagon from human GCGR expressed in HEK293 cells membranes incubated for 6 hrs by liquid scintillation counting method
50013478	2	ChEMBL_2100490 (CHEMBL4808886)	Antagonist activity at human GCGR expressed in HEK293 cells assessed as inhibition of glucogon-induced cAMP production
50013478	3	ChEMBL_2100497 (CHEMBL4808893)	Antagonist activity at human GIPR expressed in HEK293 cells assessed as inhibition of GIP-induced cAMP production
50013478	4	ChEMBL_2100499 (CHEMBL4808895)	Antagonist activity at human GLP-1R expressed in HEK293 cells assessed as inhibition of GLP1-induced cAMP production
50013478	5	ChEMBL_2100502 (CHEMBL4808898)	Antagonist activity at mouse GCGR expressed in CHO-K1 cells assessed as inhibition of glucogon-induced cAMP production
50013478	6	ChEMBL_2100503 (CHEMBL4808899)	Antagonist activity at mouse GIPR expressed in CHO-K1 cells assessed as inhibition of GIP-induced cAMP production
50013478	7	ChEMBL_2100505 (CHEMBL4808901)	Antagonist activity at mouse GLP1R expressed in CHO-K1 cells assessed as inhibition of GLP1-induced cAMP production
50013484	1	ChEMBL_2100538 (CHEMBL4808934)	Inhibition of human CK2 incubated for 2 hrs
50013484	2	ChEMBL_2100539 (CHEMBL4808935)	Inhibition of human CLK2 incubated for 2 hrs
50013484	3	ChEMBL_2100558 (CHEMBL4808954)	Inhibition of human ALDH1A1 incubated for 2 hrs
50013484	4	ChEMBL_2100616 (CHEMBL4809012)	Inhibition of CK2 (unknown origin)
50013485	1	ChEMBL_2100787 (CHEMBL4809183)	Direct inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate
50013485	2	ChEMBL_2100788 (CHEMBL4809184)	Direct inhibition of CYP2B6 in human liver microsomes using bupropion as substrate
50013485	3	ChEMBL_2100789 (CHEMBL4809185)	Direct inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate
50013485	4	ChEMBL_2100790 (CHEMBL4809186)	Direct inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate
50013485	5	ChEMBL_2100791 (CHEMBL4809187)	Direct inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
50013485	6	ChEMBL_2100792 (CHEMBL4809188)	Direct inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate
50013485	7	ChEMBL_2100793 (CHEMBL4809189)	Direct inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50013485	8	ChEMBL_2100794 (CHEMBL4809190)	Direct inhibition of CYP3A5 in human liver microsomes using midazolam as substrate
50013485	9	ChEMBL_2100795 (CHEMBL4809191)	Direct inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50013485	10	ChEMBL_2100796 (CHEMBL4809192)	Direct inhibition of CYP3A5 in human liver microsomes using testosterone as substrate
50013485	11	ChEMBL_2100797 (CHEMBL4809193)	Time-dependent inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate preincubated for 30 mins
50013485	12	ChEMBL_2100798 (CHEMBL4809194)	Time-dependent inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 30 mins
50013485	13	ChEMBL_2100799 (CHEMBL4809195)	Time-dependent inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 30 mins
50013485	14	ChEMBL_2100800 (CHEMBL4809196)	Time-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 30 mins
50013485	15	ChEMBL_2100801 (CHEMBL4809197)	Time-dependent inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 30 mins
50013485	16	ChEMBL_2100802 (CHEMBL4809198)	Time-dependent inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 30 mins
50013485	17	ChEMBL_2100803 (CHEMBL4809199)	Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins
50013485	18	ChEMBL_2100804 (CHEMBL4809200)	Time-dependent inhibition of CYP3A5 in human liver microsomes using midazolam as substrate preincubated for 30 mins
50013485	19	ChEMBL_2100805 (CHEMBL4809201)	Time-dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins
50013485	20	ChEMBL_2100806 (CHEMBL4809202)	Time-dependent inhibition of CYP3A5 in human liver microsomes using testosterone as substrate preincubated for 30 mins
50013485	21	ChEMBL_2100811 (CHEMBL4809207)	Inhibition of human OAT1 assessed as reduction in OAT1-mediated tenofovir transport
50013485	22	ChEMBL_2100812 (CHEMBL4809208)	Inhibition of human OAT3 assessed as reduction in OAT3-mediated tenofovir transport
50013486	1	ChEMBL_2100865 (CHEMBL4809261)	Inhibition of HIV-1 p66/p51 reverse transcriptase L100I mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50013486	2	ChEMBL_2100866 (CHEMBL4809262)	Inhibition of HIV-1 p66/p51 reverse transcriptase K103N mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50013486	3	ChEMBL_2100867 (CHEMBL4809263)	Inhibition of HIV-1 p66/p51 reverse transcriptase Y181C mutant incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50013486	4	ChEMBL_2100870 (CHEMBL4809266)	Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50013488	1	ChEMBL_2100968 (CHEMBL4809364)	Inhibition of human ERG expressed in CHO-K1 cells by Qpatch clamp method
50013488	2	ChEMBL_2100969 (CHEMBL4809365)	Inhibition of human ERG expressed in CHO-K1 cells by manual patch clamp method
50013488	3	ChEMBL_2100970 (CHEMBL4809366)	Inhibition of human ERG expressed in CHO-K1 cells by long incubation protocol based Qpatch clamp method
50013488	4	ChEMBL_2100971 (CHEMBL4809367)	Inhibition of human ERG expressed in CHO cells by whole cell patch-clamp method
50013488	5	ChEMBL_2100973 (CHEMBL4809369)	Displacement of [3H]-dofetilide from human ERG after 60 mins by scintillation counting method
50013488	6	ChEMBL_2101022 (CHEMBL4809418)	Inhibition of human Nav1.5 expressed in HEK293 cells by IonWorks patch clamp electrophysiology method
50013488	7	ChEMBL_2101023 (CHEMBL4809419)	Inhibition of human Cav1.2 expressed in CHO-K1 cells by IonWorks patch clamp electrophysiology method
50013489	1	ChEMBL_2101027 (CHEMBL4809423)	Inhibition of PD1/PD-L1 (unknown origin) protein-protein interaction measured after 135 mins by HTRF assay
50013490	1	ChEMBL_2101049 (CHEMBL4809445)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	2	ChEMBL_2101054 (CHEMBL4809450)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 20 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	3	ChEMBL_2101055 (CHEMBL4809451)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 4 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	4	ChEMBL_2101056 (CHEMBL4809452)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 3 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	5	ChEMBL_2101057 (CHEMBL4809453)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 2 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	6	ChEMBL_2101058 (CHEMBL4809454)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 1.25 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	7	ChEMBL_2101059 (CHEMBL4809455)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.75 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	8	ChEMBL_2101060 (CHEMBL4809456)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	9	ChEMBL_2101061 (CHEMBL4809457)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.125 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50013490	10	ChEMBL_2101062 (CHEMBL4809458)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 40000 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	11	ChEMBL_2101063 (CHEMBL4809459)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 10000 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	12	ChEMBL_2101064 (CHEMBL4809460)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 5000 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	13	ChEMBL_2101065 (CHEMBL4809461)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 1250 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	14	ChEMBL_2101066 (CHEMBL4809462)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 500 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	15	ChEMBL_2101067 (CHEMBL4809463)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 250 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	16	ChEMBL_2101068 (CHEMBL4809464)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 75 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	17	ChEMBL_2101069 (CHEMBL4809465)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 37.5 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	18	ChEMBL_2101070 (CHEMBL4809466)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 12.5 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	19	ChEMBL_2101071 (CHEMBL4809467)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of mitoxantrone-induced cytotoxicity at 3.125 nM by measuring mitoxantrone IC50 after 48 hrs by MTT assay
50013490	20	ChEMBL_2101072 (CHEMBL4809468)	Reversal of P-gp-mediated adriamycin resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring adriamycin IC50 after 48 hrs by MTT assay
50013491	1	ChEMBL_2101164 (CHEMBL4809560)	Inhibition of BRD4 (unknown origin)
50013491	2	ChEMBL_2101165 (CHEMBL4809561)	Inhibition of BRD4 (unknown origin) assessed as reduction in c-Myc expression
50013492	1	ChEMBL_2101218 (CHEMBL4809614)	Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for 30 mins by fluorescence based assay
50013492	2	ChEMBL_2101219 (CHEMBL4809615)	Inhibition of CYP1A2 (unknown origin)
50013492	3	ChEMBL_2101220 (CHEMBL4809616)	Inhibition of CYP2C9 (unknown origin)
50013492	4	ChEMBL_2101221 (CHEMBL4809617)	Inhibition of CYP2C19 (unknown origin)
50013492	5	ChEMBL_2101222 (CHEMBL4809618)	Inhibition of CYP2D6 (unknown origin)
50013492	6	ChEMBL_2101223 (CHEMBL4809619)	Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein as substrate
50013492	7	ChEMBL_2101227 (CHEMBL4809623)	Inhibition of CYP3A4 (unknown origin) using 7-benzyloxyquinoline as substrate
50013494	1	ChEMBL_2101231 (CHEMBL4809627)	Inhibition of electric eel AChE by Ellman's method
50013494	2	ChEMBL_2101232 (CHEMBL4809628)	Inhibition of equine serum BuChE by Ellman's method
50013494	3	ChEMBL_2101233 (CHEMBL4809629)	Inhibition of self-induced amyloid beta(1 to 42) (unknown origin) aggregation by thioflavin-T fluorescence assay
50013495	1	ChEMBL_2101456 (CHEMBL4809852)	Binding affinity to Bcl-xl (unknown origin) measured by surface plasmon resonance based pull down assay
50013495	2	ChEMBL_2101457 (CHEMBL4809853)	Binding affinity to Mcl-1 (unknown origin) measured by surface plasmon resonance based pull down assay
50013495	3	ChEMBL_2101458 (CHEMBL4809854)	Binding affinity to Bcl-2 (unknown origin) measured by surface plasmon resonance based pull down assay
50013496	1	ChEMBL_2101471 (CHEMBL4809867)	Inhibition of N-terminal His-tagged human recombinant iNOS expressed in Escherichia coli assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 30 min by ELISA
50013496	2	ChEMBL_2101472 (CHEMBL4809868)	Inhibition of human recombinant nNOS expressed in Escherichia coli assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 30 min by ELISA
50013497	1	ChEMBL_2101510 (CHEMBL4809906)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	2	ChEMBL_2101511 (CHEMBL4809907)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	3	ChEMBL_2101529 (CHEMBL4809925)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD1/BD2 Y386A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	4	ChEMBL_2101530 (CHEMBL4809926)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD2/BD1 Y113A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	5	ChEMBL_2101532 (CHEMBL4809928)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD1/BD2 Y348A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	6	ChEMBL_2101533 (CHEMBL4809929)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD2/BD1 Y73A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	7	ChEMBL_2101535 (CHEMBL4809931)	Displacement of Alexa Fluor 647 labelled ligand from 6His-FLAG-Tev-tagged BRDT BD1/BD2 Y309A (1 to 397 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	8	ChEMBL_2101536 (CHEMBL4809932)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRDT BD2/BD1 Y66A mutant (1 to 397 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50013497	9	ChEMBL_2101538 (CHEMBL4809934)	Binding affinity to human partial length BRD2 BD 1 expressed in bacterial expression system by BROMOscan assay
50013497	10	ChEMBL_2101539 (CHEMBL4809935)	Binding affinity to human partial length BRD2 BD 2 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50013497	11	ChEMBL_2101541 (CHEMBL4809937)	Binding affinity to human partial length BRD3 BD 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50013497	12	ChEMBL_2101542 (CHEMBL4809938)	Binding affinity to human partial length BRD3 BD 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50013497	13	ChEMBL_2101544 (CHEMBL4809940)	Binding affinity to human partial length BRD4 BD 1 (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50013497	14	ChEMBL_2101545 (CHEMBL4809941)	Binding affinity to human partial length BRD4 BD 2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50013497	15	ChEMBL_2101547 (CHEMBL4809943)	Binding affinity to human partial length BRDT BD 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50013497	16	ChEMBL_2101548 (CHEMBL4809944)	Binding affinity to human partial length BRDT BD 2 (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50013497	17	ChEMBL_2101554 (CHEMBL4809950)	Binding affinity to TAF1 BD 2 (unknown origin)
50013498	1	ChEMBL_2101556 (CHEMBL4809952)	Inhibition of human CA1 measured by stopped flow CO2 hydrase assay
50013498	2	ChEMBL_2101557 (CHEMBL4809953)	Inhibition of human CA2 measured by stopped flow CO2 hydrase assay
50013498	3	ChEMBL_2101558 (CHEMBL4809954)	Inhibition of human CA9 measured by stopped flow CO2 hydrase assay
50013498	4	ChEMBL_2101559 (CHEMBL4809955)	Inhibition of human CA12 measured by stopped flow CO2 hydrase assay
50013499	1	ChEMBL_2101618 (CHEMBL4810014)	Inhibition of VEGFR2 (unknown origin)
50013499	2	ChEMBL_2101619 (CHEMBL4810015)	Inhibition of PDGFRbeta (unknown origin)
50013499	3	ChEMBL_2101620 (CHEMBL4810016)	Inhibition of FGFR (unknown origin)
50013499	4	ChEMBL_2101621 (CHEMBL4810017)	Inhibition of EGFR (unknown origin)
50013501	1	ChEMBL_2101647 (CHEMBL4810043)	Agonist activity at human GPR139 expressed in CHO-TRex cells assessed as stimulation of calcium signalling incubated for 15 mins by FLIPR assay
50013501	2	ChEMBL_2101648 (CHEMBL4810044)	Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expressed in CHO-TRex membranes incubated for 20 mins by scintillation counting assay
50013501	3	ChEMBL_2101679 (CHEMBL4810075)	Agonist activity at human GPR139 expressed in HEK293 cells assessed as forskolin-induced cAMP production
50013502	1	ChEMBL_2101683 (CHEMBL4810079)	Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 22 to 24 hrs by RapidFire Mass spectroscopy
50013502	2	ChEMBL_2101684 (CHEMBL4810080)	Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 22 to 24 hrs by RapidFire Mass spectroscopy
50013502	3	ChEMBL_2101685 (CHEMBL4810081)	Inhibition of human NNMT expressed in HEK293 cells assessed as reduction in 1-methyl-nicotinamide formation measured after 24 hrs by RapidFire Mass spectroscopy
50013502	4	ChEMBL_2101688 (CHEMBL4810084)	Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2 hrs by RapidFire Mass spectroscopy
50013502	5	ChEMBL_2101689 (CHEMBL4810085)	Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2 hrs by RapidFire Mass spectroscopy
50013503	1	ChEMBL_2101708 (CHEMBL4810104)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	2	ChEMBL_2101709 (CHEMBL4810105)	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	3	ChEMBL_2101710 (CHEMBL4810106)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	4	ChEMBL_2101711 (CHEMBL4810107)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	5	ChEMBL_2101712 (CHEMBL4810108)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	6	ChEMBL_2101713 (CHEMBL4810109)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	7	ChEMBL_2101714 (CHEMBL4810110)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	8	ChEMBL_2101715 (CHEMBL4810111)	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	9	ChEMBL_2101716 (CHEMBL4810112)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013503	10	ChEMBL_2101739 (CHEMBL4810135)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50013505	1	ChEMBL_2101741 (CHEMBL4810137)	Inhibition of human FGFR1 using biotinylated-EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50013505	2	ChEMBL_2101742 (CHEMBL4810138)	Inhibition of human FGFR2 using biotinylated-EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50013505	3	ChEMBL_2101743 (CHEMBL4810139)	Inhibition of human FGFR3 using biotinylated-EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50013505	4	ChEMBL_2101744 (CHEMBL4810140)	Inhibition of human recombinant N-terminal His6-tagged VEGFR2 expressed in baculovirus infected Sf21insect cells using biotin-labeled EQEDEPEGDYFEWLE peptide as substrate incubated for 20 mins in presence of ATP by plate reader assay
50013505	5	ChEMBL_2101752 (CHEMBL4810148)	Inhibition of JAK2 (unknown origin)
50013505	6	ChEMBL_2101771 (CHEMBL4810167)	Inhibition of CYP1A2 in human liver microsomes using 7-ethoxyresorufin as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	7	ChEMBL_2101772 (CHEMBL4810168)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	8	ChEMBL_2101773 (CHEMBL4810169)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	9	ChEMBL_2101774 (CHEMBL4810170)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	10	ChEMBL_2101775 (CHEMBL4810171)	Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	11	ChEMBL_2101776 (CHEMBL4810172)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	12	ChEMBL_2101777 (CHEMBL4810173)	Inhibition of CYP3A4 in human liver microsomes using midazolam or testosterone as substrate substrate in presence of NADPH by LC-MS/MS analysis
50013505	13	ChEMBL_2101780 (CHEMBL4810176)	Inhibition of VEGFR2 (unknown origin) incubated for 90 mins in presence of ATP by HTRF assay
50013505	14	ChEMBL_2101781 (CHEMBL4810177)	Inhibition of c-KIT (unknown origin) incubated for 90 mins in presence of ATP by HTRF assay
50013505	15	ChEMBL_2101782 (CHEMBL4810178)	Inhibition of TRKA (unknown origin) incubated for 90 mins in presence of ATP by HTRF assay
50013505	16	ChEMBL_2101783 (CHEMBL4810179)	Inhibition of AURKB (unknown origin) incubated for 90 mins in presence of ATP by HTRF assay
50013505	17	ChEMBL_2101784 (CHEMBL4810180)	Inhibition of PDGFR-beta (unknown origin) incubated for 90 mins in presence of ATP by HTRF assay
50013505	18	ChEMBL_2101788 (CHEMBL4810184)	In vivo inhibition of FGFR2 in po dosed SCID mouse xenografted with human KATO III stomach cancer cell line administered as single dose and measured after 4 hrs
50013507	1	ChEMBL_2101864 (CHEMBL4810260)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 mins in presence of substrate followed by enzyme addition and measured every minute for 30 mins by spectrophotometry analysis
50013507	2	ChEMBL_2101865 (CHEMBL4810261)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 mins in presence of substrate followed by enzyme addition and measured every minute for 30 mins by spectrophotometry analysis
50013508	1	ChEMBL_2101891 (CHEMBL4810287)	Inhibition of [3H] MIB binding to rat prostate androgen receptor LBD by competitive binding assay
50013508	2	ChEMBL_2101892 (CHEMBL4810288)	Antagonist activity at human androgen receptor expressed in HEK-293 cells harboring GRE-LUC and CMV-renilla luciferase assessed as inhibition of transactivation incubated for 24 hrs in presence of R1881 by dual luciferase assay
50013512	1	ChEMBL_2101928 (CHEMBL4810324)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced TRPV1 activation by FLIPR method
50013513	1	ChEMBL_2101942 (CHEMBL4810338)	Inhibition of human His-ENL YEATS domain and biotinylated H3K9ac peptide interaction by AlphaScreen assay
50013513	2	ChEMBL_2101943 (CHEMBL4810339)	Binding affinity to human His-ENL YEATS domain assessed as dissociation constant by SPR analysis
50013513	3	ChEMBL_2101945 (CHEMBL4810341)	Inhibition of human His-AF9 YEATS domain and biotinylated H3K9ac peptide interaction by AlphaScreen assay
50013513	4	ChEMBL_2101946 (CHEMBL4810342)	Inhibition of human His-GAS41 YEATS domain and biotinylated H3K27ac peptide interaction by AlphaScreen assay
50013513	5	ChEMBL_2101947 (CHEMBL4810343)	Inhibition of human His-YEATS2 YEATS domain and biotinylated H3K27ar peptide interaction by AlphaScreen assay
50013515	1	ChEMBL_2101965 (CHEMBL4810361)	Inhibition of COX2 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 1 hr in presence of 10% FBS by RapidFire High-Throughput Mass Spectrometry
50013515	2	ChEMBL_2101966 (CHEMBL4810362)	Inhibition of human recombinant COX-1 assessed as reduction in peroxidase activity using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH based fluorometric analysis
50013515	3	ChEMBL_2101967 (CHEMBL4810363)	Inhibition of human recombinant COX-2 assessed as reduction in peroxidase activity using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH based fluorometric analysis
50013515	4	ChEMBL_2101968 (CHEMBL4810364)	Inhibition of COX1 (unknown origin) expressed in HEK293 TRex cells assessed as reduction in PGE2 production using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 1 hr in presence of 10% FBS by RapidFire High-Throughput Mass Spectrometry
50013515	5	ChEMBL_2101986 (CHEMBL4810382)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH based fluorometric analysis
50013515	6	ChEMBL_2102000 (CHEMBL4810396)	Inhibition of COX2 in human whole blood assessed as reduction in LPS stimulated PGE2 production incubated for 1 hr by ELISA
50013515	7	ChEMBL_2102001 (CHEMBL4810397)	Inhibition of COX1 in human whole blood assessed as reduction in calcium ionophore-stimulated TXB2 production incubated for 1 hr by ELISA
50013515	8	ChEMBL_2102019 (CHEMBL4810415)	In vivo inhibition of COX2 in po dosed C57BL/6J mouse model of spontaneous GI-tract tumor Apc-min assessed as chemopreventive effect by measuring reduction in polyp area and relevant plasma exposures
50013515	9	ChEMBL_2102020 (CHEMBL4810416)	In vivo inhibition of COX2 in po dosed C57BL/6J mouse model of spontaneous GI-tract tumor Apc-min assessed as chemopreventive effect by measuring reduction in polyp area and relevant ileum exposures
50013516	1	ChEMBL_2102025 (CHEMBL4810421)	Inhibition of recombinant full-length human GRK6 using casein as substrate measured after 80 mins in presence of [gamma33P]ATP by radiometric scintillation counting method
50013516	2	ChEMBL_2102027 (CHEMBL4810423)	Inhibition of recombinant full length human Aurora A using LRRASLG as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting method
50013516	3	ChEMBL_2102028 (CHEMBL4810424)	Inhibition of recombinant human IGF-1R (959 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting method
50013516	4	ChEMBL_2102033 (CHEMBL4810429)	Inhibition of recombinant human ZIPK (1 to 290 residues) using KKLNRTLSFAEPG substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013516	5	ChEMBL_2102034 (CHEMBL4810430)	Inhibition of recombinant human CHK2 (5 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013516	6	ChEMBL_2102035 (CHEMBL4810431)	Inhibition of recombinant human FAK (411 to 686 residues) using EEEEYEEEEEEYY as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013516	7	ChEMBL_2102036 (CHEMBL4810432)	Inhibition of recombinant human TRKA (440 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013516	8	ChEMBL_2102041 (CHEMBL4810437)	Inhibition of recombinant human JAK2 (808 to end residues) using KTFCGTPEYLAPE as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50013516	9	ChEMBL_2102043 (CHEMBL4810439)	Inhibition of human GRK1 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013516	10	ChEMBL_2102044 (CHEMBL4810440)	Inhibition of human GRK2 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013516	11	ChEMBL_2102045 (CHEMBL4810441)	Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013516	12	ChEMBL_2102046 (CHEMBL4810442)	Inhibition of human GRK4 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013516	13	ChEMBL_2102047 (CHEMBL4810443)	Inhibition of recombinant full length human GRK5 using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013516	14	ChEMBL_2102048 (CHEMBL4810444)	Inhibition of human GRK6 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013516	15	ChEMBL_2102049 (CHEMBL4810445)	Inhibition of recombinant full length human GRK7 using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013516	16	ChEMBL_2102050 (CHEMBL4810446)	Binding affinity to FLAG-tagged GRK6 in human KMS11 cells incubated for 2.5 hrs by ITDR assay
50013517	1	ChEMBL_2102069 (CHEMBL4810465)	Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method
50013517	2	ChEMBL_2102070 (CHEMBL4810466)	Binding affinity to Burkholderia pseudomallei IspF at pH 6 measured by isothermal titration calorimetry method
50013517	3	ChEMBL_2102071 (CHEMBL4810467)	Binding affinity to Burkholderia pseudomallei IspF at pH 8 measured by isothermal titration calorimetry method
50013517	4	ChEMBL_2102082 (CHEMBL4810478)	Binding affinity to Escherichia coli IspF at pH 7.4 measured by isothermal titration calorimetry method
50013518	1	ChEMBL_2102131 (CHEMBL4810527)	Inhibition of mTOR (unknown origin)
50013518	2	ChEMBL_2102132 (CHEMBL4810528)	Inhibition of HDAC1 (unknown origin)
50013518	3	ChEMBL_2102143 (CHEMBL4810539)	Inhibition of HDAC6 (unknown origin)
50013518	4	ChEMBL_2102144 (CHEMBL4810540)	Inhibition of HDAC8 (unknown origin)
50013518	5	ChEMBL_2102145 (CHEMBL4810541)	Inhibition of HDAC11 (unknown origin)
50013519	1	ChEMBL_2102182 (CHEMBL4810578)	Inhibition of human His-tagged MAGL assessed as formation of arachidonic acid using 2-acylglycerol incubated for 10 mins by mass spectrometry
50013519	2	ChEMBL_2102187 (CHEMBL4810583)	Inhibition of human recombinant FAAH
50013519	3	ChEMBL_2102188 (CHEMBL4810584)	Inhibition of human ABHD6 expressed in Expi293 cells using p-nitrophenyl acetate as substrate incubated for 30 mins by spectrophotometry
50013519	4	ChEMBL_2102191 (CHEMBL4810587)	Binding affinity to human His-tagged MAGL assessed as dissociation constant by surface plasmon resonance assay
50013519	5	ChEMBL_2102197 (CHEMBL4810593)	Inhibition of mouse MAGL assessed as formation of arachidonic acid using 2-acylglycerol incubated for 10 mins by mass spectrometry
50013520	1	ChEMBL_2102219 (CHEMBL4810615)	Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate measured after 40 mins by methylene blue reagent based spectrophotometry
50013520	2	ChEMBL_2102220 (CHEMBL4810616)	Inhibition of human TDO2 expressed in mouse P815B cells assessed as kynurenine concentration formation using L-tryptophan as substrate incubated for 7 hrs by UPLC analysis
50013520	3	ChEMBL_2102228 (CHEMBL4810624)	Inhibition of human TDO2 expressed in HEK293E cells assessed as reduction in N-formylkynurenine formation using tryptophan as substrate measured after 24 hrs by HPLCC based UV spectrometry
50013523	1	ChEMBL_2102230 (CHEMBL4810626)	Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET assay
50013523	2	ChEMBL_2102232 (CHEMBL4810628)	Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant measured up to 5 min by SPR method
50013523	3	ChEMBL_2102233 (CHEMBL4810629)	Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant measured up to 5 min by SPR method
50013523	4	ChEMBL_2102245 (CHEMBL4810641)	Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	5	ChEMBL_2102246 (CHEMBL4810642)	Binding affinity to wild-type human partial length HASPIN (I452 to K798 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	6	ChEMBL_2102247 (CHEMBL4810643)	Binding affinity to wild-type human full length DYRK1B (M1 to S629 residues) expressed in bacterial expression system measured after 1 hr by competitive binding assay
50013523	7	ChEMBL_2102248 (CHEMBL4810644)	Binding affinity to wild-type human partial length CLK4 (R135 to K481 residues) expressed in bacterial expression system measured after 1 hr by competitive binding assay
50013523	8	ChEMBL_2102249 (CHEMBL4810645)	Binding affinity to wild-type human full length CLK1 (M1 to I484 residues) expressed in bacterial expression system measured after 1 hr by competitive binding assay
50013523	9	ChEMBL_2102250 (CHEMBL4810646)	Binding affinity to wild-type human partial length CLK2 (D144 to R498 residues) expressed in bacterial expression system measured after 1 hr by competitive binding assay
50013523	10	ChEMBL_2102251 (CHEMBL4810647)	Binding affinity to wild-type human full length DYRK2 (M1 to S528 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	11	ChEMBL_2102252 (CHEMBL4810648)	Binding affinity to wild-type human partial length HIPK2 (M153 to S564 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	12	ChEMBL_2102253 (CHEMBL4810649)	Binding affinity to wild-type human partial length MKNK2 (G63 to S388 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	13	ChEMBL_2102254 (CHEMBL4810650)	Binding affinity to wild-type human partial length CAMK1B (W9 to A311 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	14	ChEMBL_2102255 (CHEMBL4810651)	Binding affinity to wild-type human partial length JAK3 JH1 catalytic domain (I781 to S1124 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	15	ChEMBL_2102256 (CHEMBL4810652)	Binding affinity to wild-type human partial length STK39 (P43 to I357 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	16	ChEMBL_2102257 (CHEMBL4810653)	Binding affinity to wild-type human partial length WNK2 (V47 to D482 residues) expressed in mammalian expression system measured after 1 hr by competitive binding assay
50013523	17	ChEMBL_2102264 (CHEMBL4810660)	Inhibition of full length GST-tagged human DYRK1A phosphorylation expressed in baculovirus expression system in presence of [gamma-33P]ATP by radiometric assay
50013523	18	ChEMBL_2102265 (CHEMBL4810661)	Inhibition of human DYRK1A-mediated tau phosphorylation expressed in HEK293 cells incubated for 2 hrs by ELISA
50013524	1	ChEMBL_2102282 (CHEMBL4810678)	Antagonist activity at ADRB2 (unknown origin)
50013524	2	ChEMBL_2102316 (CHEMBL4810712)	Antagonist activity at human ERG
50013527	1	ChEMBL_2102324 (CHEMBL4810720)	Inhibition of EGFR (unknown origin)
50013529	1	ChEMBL_2102350 (CHEMBL4810746)	Inhibition of recombinant human carbonic anhydrase 5A by stopped-flow CO2 hydration assay
50013529	2	ChEMBL_2102351 (CHEMBL4810747)	Inhibition of recombinant human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50013529	3	ChEMBL_2102352 (CHEMBL4810748)	Inhibition of recombinant human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50013529	4	ChEMBL_2102353 (CHEMBL4810749)	Inhibition of recombinant human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50013529	5	ChEMBL_2102354 (CHEMBL4810750)	Inhibition of recombinant human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50013533	1	ChEMBL_2102388 (CHEMBL4810784)	Inhibition of IDO1 in human HeLa cells assessed as production of N-formylkynurenine using tryptophan as substrate in presence of inactivated fetal bovine serum
50013533	2	ChEMBL_2102389 (CHEMBL4810785)	Inhibition of IDO1 in human whole blood
50013533	3	ChEMBL_2102391 (CHEMBL4810787)	Inhibition of IDO1 in human whole blood assessed as unbound concentration
50013534	1	ChEMBL_2102398 (CHEMBL4810794)	Binding affinity to CXCR7 (unknown origin) assessed as inhibition constant
50013534	2	ChEMBL_2102410 (CHEMBL4810806)	Binding affinity to mouse CXCR7
50013537	1	ChEMBL_2102445 (CHEMBL4810841)	Agonist activity at human APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay
50013537	2	ChEMBL_2102446 (CHEMBL4810842)	Agonist activity at rat APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay
50013537	3	ChEMBL_2102447 (CHEMBL4810843)	Agonist activity at mouse APJ receptor assessed as effect on cAMP accumulation by cAMP-Glo assay
50013538	1	ChEMBL_2102480 (CHEMBL4810876)	Inhibition of biotinylated KRAS G12C mutant (unknown origin) assessed as inhibition of SOS-catalyzed nucleotide exchange preincubated for 60 mins followed by addition of human recombinant SOS protein and unlabeled GTP and measured after 60 mins by TR-FRET analysis
50013540	1	ChEMBL_2102481 (CHEMBL4810877)	Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate by FRET based assay
50013540	2	ChEMBL_2102483 (CHEMBL4810879)	Competitive inhibition of SARS CoV-2 main protease using varying concentrations of DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate by Dixon plot analysis
50013541	1	ChEMBL_2102484 (CHEMBL4810880)	Inhibition of recombinant full length GST-tagged human SPHK1 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Alexa Fluor 647 tracer based Adapta assay
50013542	1	ChEMBL_2102501 (CHEMBL4810897)	Displacement of fluorescein PGC1alpha from recombinant ERalpha (unknown origin)
50013543	1	ChEMBL_2102522 (CHEMBL4810918)	Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluorescence microplate reader assay
50013545	1	ChEMBL_2102578 (CHEMBL4810974)	Inhibition of human recombinant COX-2 assessed as production of PGE2 using arachidonic acid as a substrate preincubated for 60 mins followed by substrate addition and measured after 2 mins by ELISA analysis
50013545	2	ChEMBL_2102583 (CHEMBL4810979)	Inhibition of ovine COX-1 assessed as production of PGE2 using arachidonic acid as a substrate preincubated for 60 mins followed by substrate addition and measured after 2 mins by ELISA analysis
50013546	1	ChEMBL_2102653 (CHEMBL4811049)	Inhibition of HIF-1alpha in human HeLa cells transfected with HRE-driven firefly luciferase gene pretreated with compound followed by incubation under normoxic condition for 1 hr followed by hypoxic condition for 12 hrs by dual luciferase reporter gene assay
50013547	1	ChEMBL_2102714 (CHEMBL4811110)	Inhibition of VEGFR-2 (unknown origin) incubated for 60 mins by Kinase-Glo luminescent kinase assay
50013548	1	ChEMBL_2102731 (CHEMBL4811127)	Inhibition of PD1/PD-L1 (unknown origin) protein-protein interaction measured after 135 mins by TR-FRET assay relative to control
50013548	2	ChEMBL_2102732 (CHEMBL4811128)	Inhibition of PD1/PD-L1 (unknown origin)
50013549	1	ChEMBL_2102746 (CHEMBL4811142)	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by Ellman's method
50013549	2	ChEMBL_2102748 (CHEMBL4811144)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by Ellman's method
50013550	1	ChEMBL_2102766 (CHEMBL4811162)	Inhibition of hypoxia-induced HIF1 alpha transcriptional activity in human HeLa cells transfected with luciferase reporter containing of HRE assessed as reduction in luciferase activity incubated for 1 hrs under normoxic condition followed by incubation under hypoxic condition for 24 hrs by luciferase reporter gene assay
50013551	1	ChEMBL_2102817 (CHEMBL4811213)	Inhibition of human TRKA assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay
50013551	2	ChEMBL_2102818 (CHEMBL4811214)	Inhibition of human ALK assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay
50013551	3	ChEMBL_2102819 (CHEMBL4811215)	Inhibition of human ALK secondary L1196M mutant assessed as decreased enzymatic reactions measured after 1 hr by mobility shift assay
50013552	1	ChEMBL_2102820 (CHEMBL4811323)	Inhibition of human HDAC6 using Z(Tfa)Lys-AMC as substrate by fluorimetric method
50013552	2	ChEMBL_2102821 (CHEMBL4811324)	Inhibition of human HDAC8 using Fluor de Lys as substrate by fluorimetric method
50013552	3	ChEMBL_2102822 (CHEMBL4811325)	Inhibition of human HDAC1 (1 to 482 reidue) expressed in sf9 cells using Fluor de Lys as substrate by fluorimetric method
50013552	4	ChEMBL_2102823 (CHEMBL4811326)	Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate by fluorescence method
50013552	5	ChEMBL_2102857 (CHEMBL4811360)	Inhibition of Schistosoma mansoni HDAC8 using fluorogenic substrate by fluorescence method
50013552	6	ChEMBL_2102859 (CHEMBL4811362)	Inhibition of human HDAC6 using Z-Lys(Ac)-AMC as substrate by fluorimetric method
50013552	7	ChEMBL_2102861 (CHEMBL4811364)	Inhibition of Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate incubated for 90 mins by fluorescence method
50013552	8	ChEMBL_2102862 (CHEMBL4811365)	Inhibition of human HDAC1 (1 to 482 reidue) expressed in sf9 cells using ZMAL(Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition and measured after 20 mins by fluorimetric method
50013552	9	ChEMBL_2102863 (CHEMBL4811366)	Inhibition of human HDAC6 using ZMAL(Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition and measured after 20 mins by fluorimetric method
50013552	10	ChEMBL_2102864 (CHEMBL4811367)	Inhibition of human HDAC8 using using Fluor de Lys as substrate incubated for 90 mins by fluorescence method
50013552	11	ChEMBL_2102920 (CHEMBL4811423)	Inhibition of Schistosoma mansoni ATPDase1 incubated for 30 mins
50013552	12	ChEMBL_2103004 (CHEMBL4811507)	Inhibition of Schistosoma mansoni thioredoxin glutathione reductase incubated for 50 mins by thio-glo reagent based fluorescence method
50013552	13	ChEMBL_2103008 (CHEMBL4811511)	Inhibition of Schistosoma mansoni thioredoxin glutathione reductase incubated for 30 mins by DTNB assay
50013552	14	ChEMBL_2103023 (CHEMBL4811526)	Inhibition of Schistosoma mansoni ATPDase1 preincubated for 30 mins followed by addition of ATP/ADP by spectrophotometric method
50013553	1	ChEMBL_2103030 (CHEMBL4811533)	Inhibition of human GLS1
50013554	1	ChEMBL_2103061 (CHEMBL4811564)	Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery
50013554	2	ChEMBL_2103062 (CHEMBL4811565)	Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery
50013554	3	ChEMBL_2103063 (CHEMBL4811566)	Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery
50013556	1	ChEMBL_2103084 (CHEMBL4811587)	Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus infected Sf9 cells using ZMAL (Z-Lys(Ac)-AMC) as fluorogenic substrate incubated for 90 mins by fluorescence based assay
50013556	2	ChEMBL_2103092 (CHEMBL4811595)	Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 expressed in baculovirus infected Sf9 cells using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay
50013557	1	ChEMBL_2103199 (CHEMBL4811702)	Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured after 5 min by two-electrode voltage-clamp method
50013557	2	ChEMBL_2103200 (CHEMBL4811703)	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured after 5 min by two-electrode voltage-clamp method
50013557	3	ChEMBL_2103207 (CHEMBL4811710)	Inhibition of rat alpha6beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response measured after 5 min by two-electrode voltage-clamp method
50013557	4	ChEMBL_2103211 (CHEMBL4811714)	Inhibition of human alpha1beta1deltaepsilon nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	5	ChEMBL_2103212 (CHEMBL4811715)	Inhibition of human alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	6	ChEMBL_2103213 (CHEMBL4811716)	Inhibition of rat alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	7	ChEMBL_2103214 (CHEMBL4811717)	Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	8	ChEMBL_2103215 (CHEMBL4811718)	Inhibition of rat alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	9	ChEMBL_2103216 (CHEMBL4811719)	Inhibition of human alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	10	ChEMBL_2103217 (CHEMBL4811720)	Inhibition of rat alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	11	ChEMBL_2103218 (CHEMBL4811721)	Inhibition of human alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	12	ChEMBL_2103219 (CHEMBL4811722)	Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	13	ChEMBL_2103220 (CHEMBL4811723)	Inhibition of human alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	14	ChEMBL_2103221 (CHEMBL4811724)	Inhibition of rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	15	ChEMBL_2103223 (CHEMBL4811726)	Inhibition of rat alpha4beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	16	ChEMBL_2103224 (CHEMBL4811727)	Inhibition of human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	17	ChEMBL_2103225 (CHEMBL4811728)	Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	18	ChEMBL_2103226 (CHEMBL4811729)	Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	19	ChEMBL_2103227 (CHEMBL4811730)	Inhibition of rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	20	ChEMBL_2103228 (CHEMBL4811731)	Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013557	21	ChEMBL_2103229 (CHEMBL4811732)	Inhibition of rat alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50013558	1	ChEMBL_2103343 (CHEMBL4811846)	Inhibition of spike glycoprotein S in SARS-CoV-2 pseudovirus infected human 293T/ACE2 cells assessed as inhibition of viral infection measured after 48 hrs by by luciferase reporter gene assay
50013558	2	ChEMBL_2103347 (CHEMBL4811850)	Binding affinity to SARS-CoV-2 spike glycoprotein S-trimer measured by Surface plasmon resonance
50013560	1	ChEMBL_2103355 (CHEMBL4811858)	Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic peptide as substrate incubated for 3 hrs by HTRF assay
50013560	2	ChEMBL_2103356 (CHEMBL4811859)	Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 24 hrs by HTRF assay
50013560	3	ChEMBL_2103363 (CHEMBL4811866)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50013560	4	ChEMBL_2103364 (CHEMBL4811867)	Inhibition of mouse BACE1 by HTRF assay
50013560	5	ChEMBL_2103369 (CHEMBL4811872)	Inhibition of human ERG expressed in HEK293 cells maintained at -80 mV membrane potential by manual patch-clamp technique
50013560	6	ChEMBL_2103370 (CHEMBL4811873)	Inhibition of BACE2 (unknown origin)
50013560	7	ChEMBL_2103371 (CHEMBL4811874)	Inhibition of CatD (unknown origin)
50013560	8	ChEMBL_2103372 (CHEMBL4811875)	Inhibition of CatE (unknown origin)
50013560	9	ChEMBL_2103386 (CHEMBL4811889)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50013560	10	ChEMBL_2103387 (CHEMBL4811890)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50013560	11	ChEMBL_2103388 (CHEMBL4811891)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50013560	12	ChEMBL_2103389 (CHEMBL4811892)	Inhibition of CYP3A4 in human liver microsomes using terfenadine as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50013560	13	ChEMBL_2103390 (CHEMBL4811893)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition and measured after 2 mins by LC/MS/MS analysis
50013562	1	ChEMBL_2103469 (CHEMBL4811972)	Inhibition Dengue serotype-2 NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay
50013562	2	ChEMBL_2103470 (CHEMBL4811973)	Inhibition Zika virus NS3B (47 to 95 residues)/NS3 (1 to 170 residues) protease expressed in Escherichia coli BL21 using 7-amino-4-methylcoumarin as substrate by fluorescence assay
50013562	3	ChEMBL_2103471 (CHEMBL4811974)	Inhibition West Nile virus NS3B/NS3 protease using 7-amino-4-methylcoumarin as substrate by fluorescence assay
50013564	1	ChEMBL_2103480 (CHEMBL4811983)	Reversal of P-gp-mediated multidrug resistance in human KB/VCR cells assessed as potentiation of vincristine-induced antiproliferative activity by measuring vincristine IC50 at 20 uM measured after 72 hrs by CCK8 assay (Rvb = 0.78 uM)
50013564	2	ChEMBL_2103482 (CHEMBL4811985)	Reversal of P-gp-mediated multidrug resistance in human KB/VCR cells assessed as potentiation of vincristine-induced antiproliferative activity by measuring vincristine IC50 at 2 uM measured after 72 hrs by CCK8 assay (Rvb = 0.51 uM)
50013565	1	ChEMBL_2103484 (CHEMBL4811987)	Inhibition of recombinant USP7 catalytic domain (unknown origin) using UbA10 as substrate incubated with substrate for 75 mins followed by compound addition and measured after 1 hr by TR-FRET assay
50013565	2	ChEMBL_2103496 (CHEMBL4811999)	Binding affinity to recombinant USP7 (208 to 560 residues) (unknown origin) assessed as dissociation constant by biolayer interferometry
50013565	3	ChEMBL_2103507 (CHEMBL4812010)	Inhibition of N-terminal His-FLAG-tagged human USP7 (2 to 1102 residues) expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate preincubated with enzyme for 40 mins followed by substrate addition for 30 mins by fluorescence plate reader analysis
50013566	1	ChEMBL_2103534 (CHEMBL4812037)	Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013566	2	ChEMBL_2103535 (CHEMBL4812038)	Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013566	3	ChEMBL_2103536 (CHEMBL4812039)	Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013566	4	ChEMBL_2103537 (CHEMBL4812040)	Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50013567	1	ChEMBL_2103552 (CHEMBL4812055)	Inhibition of recombinant human CA1 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50013567	2	ChEMBL_2103553 (CHEMBL4812056)	Inhibition of recombinant human CA2 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50013567	3	ChEMBL_2103554 (CHEMBL4812057)	Inhibition of recombinant human CA9 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50013567	4	ChEMBL_2103555 (CHEMBL4812058)	Inhibition of recombinant human CA12 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay
50013568	1	ChEMBL_2103572 (CHEMBL4812075)	Inhibition of STAT3 phosphorylation in human MDA-MB-231 cells by sandwich ELISA
50013569	1	ChEMBL_2103687 (CHEMBL4812190)	Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assay
50013569	2	ChEMBL_2103688 (CHEMBL4812191)	Inhibition of CDK1/cyclin B (unknown origin)
50013569	3	ChEMBL_2103690 (CHEMBL4812193)	Inhibition of CDK4/cyclin D1 (unknown origin)
50013569	4	ChEMBL_2103692 (CHEMBL4812195)	Inhibition of CDK7/cyclin H (unknown origin)
50013569	5	ChEMBL_2103696 (CHEMBL4812199)	Inhibition of human CDK2 expressed in baculovirus infected Sf9 cells using Histone H1 as substrate incubated for 10 mins by scintillation counting method
50013569	6	ChEMBL_2103697 (CHEMBL4812200)	Inhibition of human CDK2
50013570	1	ChEMBL_2103698 (CHEMBL4812201)	Agonist activity at human Gal4 fused PPARalpha LBD expressed in COS-7 cells incubated for 24 hrs by firefly luciferase reporter gene assay
50013570	2	ChEMBL_2103699 (CHEMBL4812202)	Agonist activity at human Gal4 fused PPARdelta LBD expressed in COS-7 cells incubated for 24 hrs by firefly luciferase reporter gene assay
50013570	3	ChEMBL_2103700 (CHEMBL4812203)	Agonist activity at human Gal4 fused PPARgamma LBD expressed in COS-7 cells incubated for 24 hrs by firefly luciferase reporter gene assay
50013571	1	ChEMBL_2103762 (CHEMBL4812265)	Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method
50013571	2	ChEMBL_2103763 (CHEMBL4812266)	Binding affinity to wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method
50013571	3	ChEMBL_2103764 (CHEMBL4812267)	Binding affinity to wild-type human partial length MAP4K5 (M1 to P297 residues) expressed in bacterial expression system by Kinomescan method
50013571	4	ChEMBL_2103765 (CHEMBL4812268)	Binding affinity to wild-type human partial length MKK4 (S84 to D399 residues) expressed in mammalian expression system by Kinomescan method
50013571	5	ChEMBL_2103766 (CHEMBL4812269)	Binding affinity to wild-type human full length MKK7 (M1 to R419 residues) expressed in mammalian expression system by Kinomescan method
50013571	6	ChEMBL_2103767 (CHEMBL4812270)	Binding affinity to wild-type human partial length ZAK (M1 to L331 residues) expressed in bacterial expression system by Kinomescan method
50013571	7	ChEMBL_2103768 (CHEMBL4812271)	Inhibition of MKK4 (unknown origin) by PanQinase assay
50013572	1	ChEMBL_2103783 (CHEMBL4812286)	Inhibition of human HDAC6 preincubated for 15 mins followed by substrate addition by fluorescence-based assay
50013572	2	ChEMBL_2103784 (CHEMBL4812287)	Inhibition of human HDAC1 preincubated for 15 mins followed by substrate addition by fluorescence-based assay
50013572	3	ChEMBL_2103796 (CHEMBL4812299)	Inhibition of N-terminal GST-tagged full-length human HDAC6 expressed in Sf9 infected baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured for 30 mins
50013572	4	ChEMBL_2103797 (CHEMBL4812300)	Inhibition of recombinant human full-length HDAC6 using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50013573	1	ChEMBL_2103813 (CHEMBL4812316)	Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay
50013573	2	ChEMBL_2103814 (CHEMBL4812317)	Inhibition of C-terminal hexaHis-tagged TPO (unknown origin) expressed in Trichoplusia ni insect cells using 3-iodo tyrosine as substrate preincubated for 10 mins followed by substrate and H2O2 addition and further incubated for 15 mins
50013573	3	ChEMBL_2103815 (CHEMBL4812318)	Time dependent inhibition of CYP3A4 (unknown origin) measured at 30 mins
50013573	4	ChEMBL_2103824 (CHEMBL4812327)	Inhibition of PMA-induced MPO in human Neutrophil incubated for 3 mins by luminometry
50013574	1	ChEMBL_2103830 (CHEMBL4812333)	Inhibition of recombinant human N-terminal GST-tagged JAK1 (850 to 1154 residues) expressed in baculovirus expression system
50013574	2	ChEMBL_2103832 (CHEMBL4812335)	Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system
50013574	3	ChEMBL_2103835 (CHEMBL4812338)	Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system
50013574	4	ChEMBL_2103836 (CHEMBL4812339)	Inhibition of recombinant human N-terminal GST-tagged TYK2 (871 to 1187 residues) expressed in baculovirus expression system
50013574	5	ChEMBL_2103837 (CHEMBL4812340)	Inhibition of JAK1/JAK3 signaling pathway in human THP-1 cells assessed as reduction in IL-4 induced STAT6 phosphorylation preincubated for 2 hrs followed by IL-4 addition and measured after 10 mins by HTRF method
50013574	6	ChEMBL_2103838 (CHEMBL4812341)	Inhibition of JAK2 signaling pathway in human TF-1 cells assessed as reduction in GM-CSF induced STAT5 phosphorylation preincubated for 2 hrs followed by GM-CSF addition and measured after 10 mins by HTRF method
50013577	1	ChEMBL_2103885 (CHEMBL4812388)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaphorase/resazurin-coupled system
50013577	2	ChEMBL_2103887 (CHEMBL4812390)	Inhibition of IDH1 R132C mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 5 mins by diaphorase/resazurin-coupled system
50013577	3	ChEMBL_2103894 (CHEMBL4812397)	Inhibition of C-terminal NanoLuc 86b-tagged IDH1 R132H (unknown origin) expressed in HEK293T cells assessed as increase in thermal stability by measuring Nano-luciferase activity at 56 degC for 3.5 min by CETSA
50013577	4	ChEMBL_2103895 (CHEMBL4812398)	Inhibition of IDH1 R132H mutant (unknown origin) expressed in human U87 cells assessed as R-2-hydroxyglutarate production after 48 hrs by LC-MS analysis
50013579	1	ChEMBL_2103907 (CHEMBL4812410)	Inhibition of CDK8/Cyclin C (unknown origin) using RBER-CHKtide as substrate in presence of [32P]gammaATP incubated for 60 mins by microplate scintillation counter analysis
50013579	2	ChEMBL_2103945 (CHEMBL4812448)	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013579	3	ChEMBL_2103946 (CHEMBL4812449)	Inhibition of human FMS using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013579	4	ChEMBL_2103947 (CHEMBL4812450)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013579	5	ChEMBL_2103952 (CHEMBL4812455)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate
50013579	6	ChEMBL_2103953 (CHEMBL4812456)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
50013579	7	ChEMBL_2103954 (CHEMBL4812457)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
50013579	8	ChEMBL_2103955 (CHEMBL4812458)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50013579	9	ChEMBL_2103956 (CHEMBL4812459)	Inhibition of human ERG expressed in CHO cells
50013580	1	ChEMBL_2103982 (CHEMBL4812485)	Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)-Lys-AMC as substrate incubated for 40 mins by fluorescence based assay
50013580	2	ChEMBL_2103983 (CHEMBL4812486)	Inhibition of recombinant human HDAC1 using Z-(Ac)-Lys-AMC as substrate incubated for 40 mins by fluorescence based assay
50013580	3	ChEMBL_2103986 (CHEMBL4812489)	Inhibition of HDAC2 (unknown origin)
50013580	4	ChEMBL_2103987 (CHEMBL4812490)	Inhibition of HDAC3 (unknown origin)
50013580	5	ChEMBL_2103988 (CHEMBL4812491)	Inhibition of HDAC8 (unknown origin)
50013580	6	ChEMBL_2103992 (CHEMBL4812495)	Binding affinity to recombinant human HDAC6 by BLI assay
50013585	1	ChEMBL_2104028 (CHEMBL4812531)	Inhibition of NS2B-NS3 protease in DENV2proHeLa system assessed as inhibition of luciferase signal incubated for 24 hrs by luciferase reporter gene assay
50013585	2	ChEMBL_2104033 (CHEMBL4812536)	Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15 mins followed by varying concentrations of substrate addition for 15 mins by Cheng-Prusoff plot analysis
50013585	3	ChEMBL_2104035 (CHEMBL4812538)	Competitive inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda(DE3) using FRET substrate preincubated with enzyme for 15 mins followed by substrate addition for 15 mins by Michaelis-Menten based analysis
50013591	1	ChEMBL_2104072 (CHEMBL4812575)	Inhibition of BACE-1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-Dnp-OH as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by FRET assay
50013593	1	ChEMBL_2104147 (CHEMBL4812650)	Inhibition of human GCPII expressed in CHO cells assessed as accumulation of glutamate using NAAG as substrate by e Amplex Red glutamic acid assay
50013593	2	ChEMBL_2104148 (CHEMBL4812651)	Inhibition of GCPII (unknown origin) expressed in DU-145 cells after 2 hrs by Amplex red reagent based fluorescence assay
50013593	3	ChEMBL_2104149 (CHEMBL4812652)	Inhibition of GCPII (unknown origin) NAALADase activity
50013598	1	ChEMBL_2104154 (CHEMBL4812657)	Inhibition of human DHODH expressed in Escherichia coli BL21-DE3 using L-dihydroorotate as substrate by steady-state DCIP method
50013598	2	ChEMBL_2104164 (CHEMBL4812667)	Inhibition of human ERG by QPatch assay
50013598	3	ChEMBL_2104166 (CHEMBL4812669)	Inhibition of NK1 (unknown origin)
50013598	4	ChEMBL_2104167 (CHEMBL4812670)	Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis
50013598	5	ChEMBL_2104168 (CHEMBL4812671)	Inhibition of CYP2B6 (unknown origin) by UPLC-MS analysis
50013598	6	ChEMBL_2104169 (CHEMBL4812672)	Inhibition of CYP2C8 (unknown origin) by UPLC-MS analysis
50013598	7	ChEMBL_2104170 (CHEMBL4812673)	Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis
50013598	8	ChEMBL_2104171 (CHEMBL4812674)	Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis
50013598	9	ChEMBL_2104172 (CHEMBL4812675)	Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis
50013598	10	ChEMBL_2104174 (CHEMBL4812677)	Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis
50013605	1	ChEMBL_2104288 (CHEMBL4812791)	Inhibition of human MAO-B
50013605	2	ChEMBL_2104289 (CHEMBL4812792)	Inhibition of human MAO-A
50013607	1	ChEMBL_2104315 (CHEMBL4812818)	Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay
50013607	2	ChEMBL_2104316 (CHEMBL4812819)	Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay
50013607	3	ChEMBL_2104317 (CHEMBL4812820)	Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay
50013607	4	ChEMBL_2104318 (CHEMBL4812821)	Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay
50013607	5	ChEMBL_2104319 (CHEMBL4812822)	Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 45 mins by methylene blue reagent based assay
50013607	6	ChEMBL_2104320 (CHEMBL4812823)	Inhibition of TDO2 in rat liver homogenate assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr
50013608	1	ChEMBL_2104351 (CHEMBL4812854)	Displacement of [125-I]-[Sar1, Ile8] from recombinant human AT1R transfected in human HEK293 cells incubated for 2 hrs by liquid scintillation counter analysis
50013608	2	ChEMBL_2104352 (CHEMBL4812855)	Displacement of [125-I]-[Sar1, Ile8] from recombinant human AT2R transfected in human HEK293 cells incubated for 2 hrs by liquid scintillation counter analysis
50013610	1	ChEMBL_2104384 (CHEMBL4812887)	Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate by fluorescence assay
50013610	2	ChEMBL_2104385 (CHEMBL4812888)	Inhibition of recombinant human liver CatL using Z-FR-AMC as substrate by fluorescence assay
50013610	3	ChEMBL_2104386 (CHEMBL4812889)	Inhibition of recombinant human liver CatB using Z-FR-AMC as substrate by fluorescence assay
50013610	4	ChEMBL_2104387 (CHEMBL4812890)	Inhibition of recombinant human liver CatK using Z-FR-AMC as substrate by fluorescence assay
50013610	5	ChEMBL_2104388 (CHEMBL4812891)	Inhibition of recombinant human liver CatS using Z-FR-AMC as substrate by fluorescence assay
50013613	1	ChEMBL_2104395 (CHEMBL4812898)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by fluorimetric analysis relative to control
50013613	2	ChEMBL_2104397 (CHEMBL4812900)	Inhibition of recombinant Trypanosoma brucei rhodesain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by fluorimetric analysis relative to control
50013613	3	ChEMBL_2104402 (CHEMBL4812905)	Binding affinity to Trypanosoma brucei rhodesain
50013613	4	ChEMBL_2104405 (CHEMBL4812908)	Inhibition of recombinant Trypanosoma brucei rhodesain using Z-FR-AMC as substrate by fluorimetric analysis relative to control
50013617	1	ChEMBL_2104429 (CHEMBL4812932)	Inhibition of VEGFR2 in mouse NIH/3T3 cells assessed as reduction of VEGF-stimulated phosphorylation
50013617	2	ChEMBL_2104430 (CHEMBL4812933)	Inhibition of PDGFRbeta in mouse NIH/3T3 cells assessed as reduction of PDGF-BB-stimulated phosphorylation
50013619	1	ChEMBL_2104453 (CHEMBL4812956)	Agonist activity at human GPR119 expressed in CHO cells co-expressing cyclic AMP response element-luciferase reporter gene incubated for 2 hrs by steady-glo luciferase assay
50013619	2	ChEMBL_2104459 (CHEMBL4812962)	Agonist activity at rat GPR119 expressed in CHO cells co-expressing cyclic AMP response element-luciferase reporter gene incubated for 2 hrs by steady-glo luciferase assay
50013619	3	ChEMBL_2104460 (CHEMBL4812963)	Agonist activity at rat GPR119 in golden hamster HIT-T15 cells assessed as induction of glucose-induced insulin secretion after 2 hrs by A1phaLISA
50013619	4	ChEMBL_2104461 (CHEMBL4812964)	Agonist activity at rat GPR119 in GLUTag cells assessed as induction of GLP-1 secretion after 2 hrs by ELISA
50013621	1	ChEMBL_2104547 (CHEMBL4813050)	Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated for 45 hrs by luciferase reporter gene assay
50013621	2	ChEMBL_2104548 (CHEMBL4813051)	Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated for 45 hrs by luciferase reporter gene assay
50013621	3	ChEMBL_2104549 (CHEMBL4813052)	Agonist activity at Gal4-fused human PPARgamma expressed in monkey CV1 cells assessed as receptor transactivation incubated for 45 hrs by luciferase reporter gene assay
50013621	4	ChEMBL_2104550 (CHEMBL4813053)	Agonist activity at Gal4-fused human PPARdelta expressed in monkey CV1 cells assessed as receptor transactivation incubated for 45 hrs by luciferase reporter gene assay
50013622	1	ChEMBL_2104584 (CHEMBL4813087)	Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay
50013622	2	ChEMBL_2104586 (CHEMBL4813089)	Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay
50013623	1	ChEMBL_2104608 (CHEMBL4813111)	Inhibition of human Nav1.5 by automated voltage clamp electrophysiology
50013623	2	ChEMBL_2104611 (CHEMBL4813114)	Inhibition of human Nav1.1 by whole cell voltage clamp analysis
50013623	3	ChEMBL_2104612 (CHEMBL4813115)	Inhibition of human Nav1.2 by whole cell voltage clamp analysis
50013623	4	ChEMBL_2104613 (CHEMBL4813116)	Inhibition of human Nav1.6 by whole cell voltage clamp analysis
50013623	5	ChEMBL_2104614 (CHEMBL4813117)	Inhibition of human Nav1.7 expressed in HEK293 cells by sodium flux analysis
50013623	6	ChEMBL_2104619 (CHEMBL4813122)	Inhibition of CYP2C9 (unknown origin)
50013623	7	ChEMBL_2104652 (CHEMBL4813155)	Inhibition of human Nav1.5 VSD2 R814A mutant by automated voltage clamp electrophysiology
50013623	8	ChEMBL_2104653 (CHEMBL4813156)	Displacement of [3H]BNZA from Nav1.5 (unknown origin)
50013623	9	ChEMBL_2104657 (CHEMBL4813160)	Inhibition of human Nav1.5 by V1/2 protocol based analysis
50013623	10	ChEMBL_2104658 (CHEMBL4813161)	Inhibition of human Nav1.1 by V1/2 protocol based analysis
50013623	11	ChEMBL_2104659 (CHEMBL4813162)	Inhibition of human Nav1.2 by V1/2 protocol based analysis
50013623	12	ChEMBL_2104660 (CHEMBL4813163)	Inhibition of human Nav1.6 by V1/2 protocol based analysis
50013623	13	ChEMBL_2104661 (CHEMBL4813164)	Inhibition of human Nav1.5 expressed in HEK293 cells by sodium influx assay
50013623	14	ChEMBL_2104662 (CHEMBL4813165)	Inhibition of human Nav1.1 expressed in HEK293 cells by sodium influx assay
50013623	15	ChEMBL_2104663 (CHEMBL4813166)	Inhibition of human Nav1.2 expressed in HEK293 cells by sodium influx assay
50013623	16	ChEMBL_2104664 (CHEMBL4813167)	Inhibition of human Nav1.6 expressed in HEK293 cells by sodium influx assay
50013623	17	ChEMBL_2104670 (CHEMBL4813173)	Inhibition of Nav1.5 (unknown origin)-mediated late channel current
50013623	18	ChEMBL_2104671 (CHEMBL4813174)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inhibition of peak channel current at holding potential of -95 mV
50013623	19	ChEMBL_2104672 (CHEMBL4813175)	Inhibition of human Nav1.5 expressed in HEK293 cells assessed as inhibition of late channel current at holding potential of -95 mV
50013628	1	ChEMBL_2104704 (CHEMBL4813207)	Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50013628	2	ChEMBL_2104705 (CHEMBL4813208)	Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50013628	3	ChEMBL_2104706 (CHEMBL4813209)	Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50013628	4	ChEMBL_2104707 (CHEMBL4813210)	Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50013628	5	ChEMBL_2104708 (CHEMBL4813211)	Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50013629	1	ChEMBL_2104739 (CHEMBL4813242)	Inhibition of mushroom tyrosinase using L-DOPA as substrate
50013629	2	ChEMBL_2104746 (CHEMBL4813249)	Noncompetitive inhibition of mushroom tyrosinase assessed as dissociation constant using L-DOPA as substrate by Lineweaver-Burk plot analysis
50013632	1	ChEMBL_2104762 (CHEMBL4813265)	Inhibition of NLRP3 inflammasome in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated with compound for 1 hr followed by nigericin stimulation for 1 hr by ELISA
50013636	1	ChEMBL_2104796 (CHEMBL4813299)	Inhibition of HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into cDNA measured after 1 hr by ELISA
50013639	1	ChEMBL_2104800 (CHEMBL4813303)	Inhibition of HDAC1 (unknown origin)
50013639	2	ChEMBL_2104801 (CHEMBL4813304)	Inhibition of HDAC2 (unknown origin)
50013639	3	ChEMBL_2104802 (CHEMBL4813305)	Inhibition of HDAC3 (unknown origin)
50013639	4	ChEMBL_2104803 (CHEMBL4813306)	Inhibition of HDAC6 (unknown origin)
50013639	5	ChEMBL_2104804 (CHEMBL4813307)	Inhibition of HDAC8 (unknown origin)
50013640	1	ChEMBL_2104830 (CHEMBL4813333)	Inhibition of recombinant wild type human N-terminal His6-tagged BTK expressed in baculovirus incubated for 20 mins by TR-FRET based competitive binding assay
50013640	2	ChEMBL_2104831 (CHEMBL4813334)	Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET assay
50013640	3	ChEMBL_2104834 (CHEMBL4813337)	Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells assessed as inhibitory constant incubated for 1 hr by TR-FRET assay
50013640	4	ChEMBL_2104838 (CHEMBL4813341)	Inhibition of recombinant human N-terminal His-tagged BTK C481S mutant expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET assay
50013642	1	ChEMBL_2104887 (CHEMBL4813390)	Inhibition of human DHODH
50013643	1	ChEMBL_2104896 (CHEMBL4813399)	Inhibition of human CYP3A4 expressed in insect supersomes assessed as reduction in 10-hydroxymidazolam formation using midazolam as substrate measured after 30 mins in presence of NADPH by LC-MS/MS analysis
50013643	2	ChEMBL_2104897 (CHEMBL4813400)	Inhibition of human CYP2D6 expressed in insect supersomes assessed as reduction in AHMC formation using AMMC as substrate measured after 40 mins in presence of NADPH by fluorescence based analysis
50013643	3	ChEMBL_2104898 (CHEMBL4813401)	Inhibition of human CYP2C9-1 expressed in insect supersomes assessed as reduction in HFC formation using MFC as substrate measured after 30 mins in presence of NADPH by fluorescence based analysis
50013643	4	ChEMBL_2104899 (CHEMBL4813402)	Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release using fluorogenic HDAC substrate 3 measured every 5 mins by fluorescence based analysis
50013643	5	ChEMBL_2104900 (CHEMBL4813403)	Inhibition of C-terminal 6XHis-tagged human recombinant full length HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release measured every 5 mins by fluorescence based analysis
50013643	6	ChEMBL_2104901 (CHEMBL4813404)	Inhibition of C-terminal His-tagged human recombinant full length HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release using fluorogenic HDAC substrate 3 measured every 5 mins by fluorescence based analysis
50013643	7	ChEMBL_2104902 (CHEMBL4813405)	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release measured every 5 mins by fluorescence based analysis
50013643	8	ChEMBL_2104903 (CHEMBL4813406)	Inhibition of N-terminal GST-tagged human recombinant full length HDAC5 expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release measured every 5 mins by fluorescence based analysis
50013643	9	ChEMBL_2104904 (CHEMBL4813407)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release measured every 5 mins by fluorescence based analysis
50013643	10	ChEMBL_2104905 (CHEMBL4813408)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in 7-amino-4-methylcoumarin release measured every 5 mins by fluorescence based analysis
50013650	1	ChEMBL_2104990 (CHEMBL4813493)	Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50013650	2	ChEMBL_2104992 (CHEMBL4813495)	Positive allosteric modulation of human muscarinic acetylcholine M2/Gqi5 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50013650	3	ChEMBL_2104993 (CHEMBL4813496)	Positive allosteric modulation of human muscarinic acetylcholine M3 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50013650	4	ChEMBL_2104994 (CHEMBL4813497)	Positive allosteric modulation of human muscarinic acetylcholine M4/Gqi5 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50013650	5	ChEMBL_2104995 (CHEMBL4813498)	Positive allosteric modulation of human muscarinic acetylcholine M5 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50013651	1	ChEMBL_2105001 (CHEMBL4813504)	Binding affinity to integrin alphavbeta3 receptor (unknown origin) in presence of fibrinogen incubated for 2 hrs by competitive binding assay
50013654	1	ChEMBL_2105006 (CHEMBL4813509)	Mixed type inhibition of human recombinant MAO-B by Lineweaver-Burk plot analysis
50013654	2	ChEMBL_2105007 (CHEMBL4813510)	Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins measuring increase in emission signal at 400 nm multimode plate reader assay
50013654	3	ChEMBL_2105008 (CHEMBL4813511)	Inhibition of human recombinant MAO-A using pargyline as incubated for 20 mins measuring increase in emission signal at 310 nm multimode plate reader assay
50013656	1	ChEMBL_2105031 (CHEMBL4813534)	Inhibition of mTOR (unknown origin)
50013656	2	ChEMBL_2105032 (CHEMBL4813535)	Inhibition of HDAC6 (unknown origin)
50013656	3	ChEMBL_2105046 (CHEMBL4813549)	Inhibition of HDAC1 (unknown origin)
50013656	4	ChEMBL_2105047 (CHEMBL4813550)	Inhibition of HDAC2 (unknown origin)
50013656	5	ChEMBL_2105048 (CHEMBL4813551)	Inhibition of HDAC3 (unknown origin)
50013658	1	ChEMBL_2105080 (CHEMBL4813583)	Inhibition of human cathepsin C
50013658	2	ChEMBL_2105081 (CHEMBL4813584)	Inhibition of cellular cathepsin C (unknown origin)
50013663	1	ChEMBL_2105121 (CHEMBL4813624)	Binding affinity to Mc1-1 (unknown origin) by fluorescence polarization competition assay
50013663	2	ChEMBL_2105122 (CHEMBL4813625)	Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay
50013663	3	ChEMBL_2105123 (CHEMBL4813626)	Binding affinity to Bc1-xL (unknown origin) by fluorescence polarization competition assay
50013664	1	ChEMBL_2105253 (CHEMBL4813756)	Inhibition of human biotinylated amyloid beta (1 to 42) oligomerization assessed as decrease in oligomer abundance measured after 1 hr by ELISA
50013666	1	ChEMBL_2105258 (CHEMBL4813761)	Inhibition of human IDO1 in human Hela cells
50013666	2	ChEMBL_2105259 (CHEMBL4813762)	Inhibition of human IDO1 by human whole blood assay
50013666	3	ChEMBL_2105260 (CHEMBL4813763)	Inhibition of human IDO1 assessed as unbound compound concentration by human whole blood assay
50013667	1	ChEMBL_2105290 (CHEMBL4813793)	Inhibition of recombinant human CA1 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013667	2	ChEMBL_2105291 (CHEMBL4813794)	Inhibition of recombinant human CA2 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013667	3	ChEMBL_2105292 (CHEMBL4813795)	Inhibition of recombinant human CA7 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013667	4	ChEMBL_2105293 (CHEMBL4813796)	Inhibition of full length human CA9 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013667	5	ChEMBL_2105294 (CHEMBL4813797)	Inhibition of full length human CA12 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013668	1	ChEMBL_2105310 (CHEMBL4813813)	Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expressed in Escherichia coli pretreated for 30 mins at pH 7 followed by protein dilution in acetate buffer and further incubated for 96 hrs at pH 4.6 by thioflavin-T fluorescence assay
50013669	1	ChEMBL_2105340 (CHEMBL4813843)	Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate
50013669	2	ChEMBL_2105341 (CHEMBL4813844)	Inhibition of recombinant human TC-PTP (2 to 315 residues) expressed in Escherichia coli using pNPP as substrate
50013669	3	ChEMBL_2105348 (CHEMBL4813851)	Inhibition of PTP1B (unknown origin)
50013670	1	ChEMBL_2105350 (CHEMBL4813853)	Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9mer Nrf2 (unknown origin) incubated for 30 mins under shaking condition by fluorescence polarization assay
50013670	2	ChEMBL_2105351 (CHEMBL4813854)	Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9mer Nrf2 (unknown origin) incubated for 30 mins under shaking condition by TR-FRET assay
50013672	1	ChEMBL_2105382 (CHEMBL4813885)	Antagonist activity at human H3 receptor by TR-FRET assay
50013672	2	ChEMBL_2105383 (CHEMBL4813886)	Inhibition of amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T based fluorometric assay
50013673	1	ChEMBL_2105399 (CHEMBL4813902)	Inhibition of recombinant GGDPS (unknown origin) using FPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by liquid scintillation counting method
50013675	1	ChEMBL_2105670 (CHEMBL4814345)	Inhibition of FGFR4 (unknown origin) expressed in HEK293 cells assessed as reduction in autophosphorylation by ELISA
50013675	2	ChEMBL_2105679 (CHEMBL4814354)	Inhibition of IRE1 (unknown origin) assessed as reduction in XBP1 splicing
50013675	3	ChEMBL_2105680 (CHEMBL4814355)	Inhibition of IRE1 in human RPMI 8226 cells assessed as reduction in XBP1 splicing incubated for 3 hrs by RT-PCR method
50013675	4	ChEMBL_2105681 (CHEMBL4814356)	Inhibition of mouse IRE1 assessed as reduction in XBP1 splicing using 5'-Alexa Fluor 647-CAUGUCCGCAGCGCAUG-BHQ1-3' as substrate preincubated for 30 mins followed by substrate addition by FRET assay
50013675	5	ChEMBL_2105682 (CHEMBL4814357)	Inhibition of IRE1 in human SUM159 cells incubated for 10 days by crystal violet staining based assay
50013677	1	ChEMBL_2105711 (CHEMBL4814386)	Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method
50013677	2	ChEMBL_2105712 (CHEMBL4814387)	Inhibition of human MAO-A expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate by peroxidase-coupled method
50013677	3	ChEMBL_2105713 (CHEMBL4814388)	Inhibition of hexahistidine-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substrate by peroxidase-coupled method
50013677	4	ChEMBL_2105714 (CHEMBL4814389)	Inhibition of N-terminal 6histidine-tagged LSD1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in Peroxide production using 4[ARTK(diMe)QTARKSTGGKAPRKQLA] as substrate by 4-AAP/3,5-DCHBS and amplex red dye based HRP-coupled assay
50013677	5	ChEMBL_2105715 (CHEMBL4814390)	Inhibition of N-terminal hexahistidine-tagged human LSD1 (1 to 852 amino acids) expressed in Escherichia coli BL21 (DE3) cells using H3K4me2 peptide as substrate preincubated for 5 mins followed by substrate addition and measured for 30 mins by peroxidase-coupled method
50013677	6	ChEMBL_2105716 (CHEMBL4814391)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid incubated for 60 mins by fluorescence method
50013677	7	ChEMBL_2105717 (CHEMBL4814392)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid incubated for 60 mins by fluorescence method
50013677	8	ChEMBL_2105723 (CHEMBL4814398)	Inhibition of human LSD1/CoREST expressed in Escherichia coli using histone H3 peptide monomethylated at Lys4 as substrate by peroxidase-coupled assay
50013677	9	ChEMBL_2105724 (CHEMBL4814399)	Inhibition of recombinant mouse LSD2 expressed in Escherichia coli using histone H3 peptide dimethylated at Lys4 as substrate by peroxidase-coupled assay
50013677	10	ChEMBL_2105725 (CHEMBL4814400)	Inhibition of recombinant human MAO-A expressed in Pichia pastoris using kynuramine as substrate by peroxidase-coupled method
50013677	11	ChEMBL_2105726 (CHEMBL4814401)	Inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by peroxidase-coupled method
50013677	12	ChEMBL_2105727 (CHEMBL4814402)	Inhibition of human LSD1/CoREST expressed in Escherichia coli using monomethylated H3-K4 peptide as substrate preincubated for 15 mins followed by substrate addition by amplex ultra red and HRP reagent based fluorescence method
50013677	13	ChEMBL_2105732 (CHEMBL4814407)	Inhibition of His-tagged full length human LSD1 expressed in Escherichia coli BL21 RIPL Codon Plus (DE3) using ARTK(me2)QTARKSTGGKAPRKQLA as substrate preincubated for 10 mins followed by substrate addition by amplex ultra red and HRP reagent based fluorescence method
50013677	14	ChEMBL_2105739 (CHEMBL4814414)	Inhibition of LSD1/FLAG-tagged CoREST (unknown origin) expressed in HEK293F cells using diMeK4H3(1 to 21) as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by horseradish peroxidase-coupled assay
50013677	15	ChEMBL_2105743 (CHEMBL4814418)	Inhibition of N-terminal GST-tagged human recombinant LSD1 (158 to end residues) expressed in Escherichia coli using H3K4me2 peptide substrate preincubated for 15 mins followed by substrate and measured after 30 mins by amplex red dye based HRP-coupled assay
50013677	16	ChEMBL_2105747 (CHEMBL4814422)	Inhibition of LSD1 (unknown origin) using H3K4(diMe) peptide as substrate measured after 60 mins by amplex red dye based HRP-coupled assay
50013677	17	ChEMBL_2105748 (CHEMBL4814423)	Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by HRP-Coupled assay
50013677	18	ChEMBL_2105749 (CHEMBL4814424)	Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using biotinylated H3K4Me2 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by TR-FRET assay
50013677	19	ChEMBL_2105750 (CHEMBL4814425)	Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by mass-spectrometry
50013677	20	ChEMBL_2105751 (CHEMBL4814426)	Inhibition of MAO-A (unknown origin) measured after 60 mins by luciferin-based luminescence assay
50013677	21	ChEMBL_2105752 (CHEMBL4814427)	Inhibition of MAO-B (unknown origin) measured after 60 mins by luciferin-based luminescence assay
50013677	22	ChEMBL_2105753 (CHEMBL4814428)	Inhibition of human LSD1 (172 to 833 residues) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled assay
50013677	23	ChEMBL_2105754 (CHEMBL4814429)	Inhibition of LSD2 (unknown origin) using Lys4-dimethylated H3 (1-20) peptide as substrate incubated for 30 mins by peroxidase-coupled assay
50013677	24	ChEMBL_2105755 (CHEMBL4814430)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by peroxidase-coupled assay
50013677	25	ChEMBL_2105756 (CHEMBL4814431)	Inhibition of human MAO-B expressed in expressed in baculovirus infected BTI insect cells using tyramine as substrate incubated for 30 mins by fluorescence method
50013677	26	ChEMBL_2105757 (CHEMBL4814432)	Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues) expressed in Escherichia coli BL21 (DE3) using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate preincubated for 60 mins followed by substrate addition and measured after 15 mins by HTRF assay
50013677	27	ChEMBL_2105758 (CHEMBL4814433)	Inhibition of N-terminal His-SUMO tagged human LSD1 (172 to 852 residues)/His-tagged CoREST (286 to 482 residues) expressed in Escherichia coli BL21 (DE3) using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate preincubated for 60 mins followed by substrate addition and measured after 15 mins by HTRF assay
50013677	28	ChEMBL_2105759 (CHEMBL4814434)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by substrate addition and measured after 60 mins by luciferin-based luminescence assay
50013677	29	ChEMBL_2105760 (CHEMBL4814435)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by substrate addition and measured after 60 mins by luciferin-based luminescence assay
50013677	30	ChEMBL_2105761 (CHEMBL4814436)	Inhibition of human LSD1 expressed in Escherichia coli BL21 (DE3) cells using (ARTK(diMe)QTARKSTGGKAPRKQLA peptide as substrate incubated for 30 mins by HRP reagent based fluorescence method
50013677	31	ChEMBL_2105762 (CHEMBL4814437)	Inhibition of MAO-A (unknown origin) preincubated for 20 mins using 5-hydroxytryptamine as substrate followed by substrate addition and measured after 60 mins
50013677	32	ChEMBL_2105763 (CHEMBL4814438)	Inhibition of MAO-B (unknown origin) using benzylamine as substrate preincubated for 20 mins followed by substrate addition and measured after 60 mins
50013677	33	ChEMBL_2105765 (CHEMBL4814440)	Inhibition of human LSD1 (172 to 852 residues) using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay
50013677	34	ChEMBL_2105766 (CHEMBL4814441)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells by fluorescence method
50013677	35	ChEMBL_2105767 (CHEMBL4814442)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells by fluorescence method
50013677	36	ChEMBL_2105768 (CHEMBL4814443)	Inhibition of human LSD2 using Bio-H3K4me2 (1 to 24 residues) as substrate incubated for 1 hr by TR-FRET assay
50013677	37	ChEMBL_2105769 (CHEMBL4814444)	Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells using tyramine as substrate by 4-AAP/3,5-DCHBS and amplex red dye based HRP-coupled assay
50013677	38	ChEMBL_2105770 (CHEMBL4814445)	Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate by 4-AAP/3,5-DCHBS and amplex red dye based HRP-coupled assay
50013678	1	ChEMBL_2105771 (CHEMBL4814446)	Inhibition of FAK in human U87MG cells assessed as reduction in phosphorylation at Y397 residue incubated for 30 mins by Western blot analysis
50013678	2	ChEMBL_2105772 (CHEMBL4814447)	Inhibition of FAK in human A549 cells assessed as reduction in phosphorylation at Y397 residue incubated for 30 mins by Western blot analysis
50013678	3	ChEMBL_2105773 (CHEMBL4814448)	Inhibition of FAK in human OVCAR8 cells assessed as reduction in phosphorylation at Y397 residue incubated for 30 mins by Western blot analysis
50013678	4	ChEMBL_2105774 (CHEMBL4814449)	Inhibition of FAK (unknown origin)
50013678	5	ChEMBL_2105775 (CHEMBL4814450)	Inhibition of GST-fused FAK (411 to 686 residues) (unknown origin) expressed in sf9 cells using poly(Glu:Tyr) (4:1) copolymer as substrate by spectrophotometric method
50013678	6	ChEMBL_2105777 (CHEMBL4814452)	Inhibition of FAK (unknown origin) (410 to 689 residues) assessed as reduction in poly(Glu-Tyr) phosphorylation using poly (Glu,Tyr) as substrate by ELISA-based assay
50013678	7	ChEMBL_2105778 (CHEMBL4814453)	Inhibition of pyk2 (unknown origin)
50013678	8	ChEMBL_2105784 (CHEMBL4814459)	Inhibition of InsR (unknown origin)
50013678	9	ChEMBL_2105785 (CHEMBL4814460)	Inhibition of human FAK using poly (Glu,Tyr) as substrate by radiometric HotSpot kinase assay
50013678	10	ChEMBL_2105788 (CHEMBL4814463)	Inhibition of FAK (unknown origin) (410 to 689 residues) assessed as reduction in poly(Glu-Tyr) phosphorylation by absorbance method
50013678	11	ChEMBL_2105789 (CHEMBL4814464)	Inhibition of human FAK
50013678	12	ChEMBL_2105790 (CHEMBL4814465)	Inhibition of human pyk2
50013678	13	ChEMBL_2105791 (CHEMBL4814466)	Inhibition of IGF-IR (unknown origin)
50013679	1	ChEMBL_2105812 (CHEMBL4814487)	Inhibition of recombinant human CK1 epsilon expressed in baculovirus infected Sf9 cells using RRKHAAIGSpAYSITA as substrate
50013679	2	ChEMBL_2105814 (CHEMBL4814489)	Inhibition of human CDK2/ cyclinA using histone H1 as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	3	ChEMBL_2105815 (CHEMBL4814490)	Inhibition of human recombinant CDK5/ p25 expressed in bacterial expression system using histone H1 as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	4	ChEMBL_2105816 (CHEMBL4814491)	Inhibition of human recombinant CDK9/CyclinT expressed in baculovirus infected Sf9 cells using YSPTSPSYSPTSPSYSPTSPSKKK as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	5	ChEMBL_2105817 (CHEMBL4814492)	Inhibition of pig brain GSK alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	6	ChEMBL_2105818 (CHEMBL4814493)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	7	ChEMBL_2105821 (CHEMBL4814496)	Inhibition of recombinant human HASPIN (470 to 798 residues) expressed in bacterial expression system using ARTKQTARKSTGGKAPRKQLA as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50013679	8	ChEMBL_2105824 (CHEMBL4814499)	Inhibition of human CDK2/ cyclinA using histone H1 as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	9	ChEMBL_2105825 (CHEMBL4814500)	Inhibition of human recombinant CDK5/ p25 expressed in bacterial expression system using histone H1 as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	10	ChEMBL_2105826 (CHEMBL4814501)	Inhibition of human recombinant CDK9/CyclinT expressed in baculovirus infected Sf9 cells using YSPTSPSYSPTSPSYSPTSPSKKK as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	11	ChEMBL_2105827 (CHEMBL4814502)	Inhibition of pig brain GSK alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	12	ChEMBL_2105828 (CHEMBL4814503)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	13	ChEMBL_2105831 (CHEMBL4814506)	Inhibition of recombinant human HASPIN (470 to 798 residues) expressed in bacterial expression system using ARTKQTARKSTGGKAPRKQLA as substrate in presence of [gamma-33P]ATP by radiometric assay
50013679	14	ChEMBL_2105833 (CHEMBL4814508)	Inhibition of recombinant rat DYRK1A (1 to 499 ) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP measured by radiometric assay
50013680	1	ChEMBL_2105849 (CHEMBL4814524)	Antagonist activity at TLR7 (unknown origin)
50013680	2	ChEMBL_2105851 (CHEMBL4814526)	Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after 24 hrs by secreted alkaline phosphatase reporter assay
50013680	3	ChEMBL_2105852 (CHEMBL4814527)	Antagonist activity at human TLR7 in human plasmacytoid dendritic cells assessed as inhibition of gardiquimod-activated production of IFNalpha preincubated for 1 hr followed by stimulation with gardiquimod and measured after 18 hrs of stimulation measured by ELISA
50013683	1	ChEMBL_2105859 (CHEMBL4814534)	Inhibition of recombinant human N terminal his-tagged HSP90 alpha (1 to 732 residues) expressed in Escherichia coli measured after 60 mins by Flourescence polarization assay
50013684	1	ChEMBL_2105912 (CHEMBL4814587)	Binding affinity to GST tagged mouse MKK4 expressed in Escherichia coli expression system measured by Kinomescan assay
50013685	1	ChEMBL_2105932 (CHEMBL4814607)	Displacement of [125I]-DTrp6-LHRH from human GnRH-R by radioligand binding assay
50013686	1	ChEMBL_2105981 (CHEMBL4814656)	Inhibition of telomerase in human SGC-7901 cell extract by TRAP assay
50013686	2	ChEMBL_2105982 (CHEMBL4814657)	Inhibition of EGFR in human A-431 cells assessed as antiproliferative activity incubated for 48 hrs by MTS method
50013686	3	ChEMBL_2105992 (CHEMBL4814667)	Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate addition by absorbance method
50013686	4	ChEMBL_2105993 (CHEMBL4814668)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013686	5	ChEMBL_2105994 (CHEMBL4814669)	Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013686	6	ChEMBL_2105997 (CHEMBL4814672)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013686	7	ChEMBL_2105998 (CHEMBL4814673)	Inhibition of porcine pancreatic alpha-amylase using 1% starch as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by absorbance method
50013687	1	ChEMBL_2106081 (CHEMBL4814756)	Inhibition of Fam20C (unknown origin) assessed as reduction in inorganic phosphate release in presence of ATP measured by Malachite green phosphate staining based micro plate reader assay
50013688	1	ChEMBL_2106110 (CHEMBL4814785)	Antagonist activity at human A2A receptor on T-cells assessed as increase of IL-2 production preincubated for 1 hr followed by addition of T-cell activator CD3/CD28 and measured after 1 hr by plate reader method
50013688	2	ChEMBL_2106111 (CHEMBL4814786)	Displacement of [3H]-ZM241385 from human recombinant A2A receptor expressed in human HEK293 cell membrane preincubated for 5 mins and measured after 1.5 hrs by radioligand competition binding assay
50013688	3	ChEMBL_2106113 (CHEMBL4814788)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cell membrane preincubated for 5 mins followed measured after 50 mins by radioligand competition binding assay
50013688	4	ChEMBL_2106114 (CHEMBL4814789)	Antagonist activity at human A2A expressed in human HEK293 cells assessed as reduction in cAMP production preincubated for 10 mins followed by NECA stimulation and measured after 30 mins by micro plate reader method
50013690	1	ChEMBL_2106121 (CHEMBL4814796)	Displacement of [3H]-SCH23390 from dopamine D5 receptor (unknown origin) expressed in HEK-293T cells assessed as inhibition constant
50013690	2	ChEMBL_2106122 (CHEMBL4814797)	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO-K1 cells by radioligand binding assay
50013690	3	ChEMBL_2106123 (CHEMBL4814798)	Displacement of [3H]-U69593 from human kappa opioid receptor expressed in U2OS cells by radioligand binding assay
50013690	4	ChEMBL_2106124 (CHEMBL4814799)	Displacement of [3H]-DPDPE from human delta opioid receptor expressed in CHO-K1 cells by radioligand binding assay
50013690	5	ChEMBL_2106125 (CHEMBL4814800)	Agonist activity at mouse HA-tagged mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 15 mins by Glo-sensor reagent based assay
50013690	6	ChEMBL_2106126 (CHEMBL4814801)	Agonist activity at mouse FLAG-tagged kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 15 mins by Glo-sensor reagent based assay
50013690	7	ChEMBL_2106127 (CHEMBL4814802)	Agonist activity at mouse FLAG-tagged delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 15 mins by Glo-sensor reagent based assay
50013690	8	ChEMBL_2106128 (CHEMBL4814803)	Agonist activity at human mu opioid receptor expressed in CHO-K1 assessed as beta-arrestin2 recruitment incubated for 90 mins by PathHunter assay
50013690	9	ChEMBL_2106129 (CHEMBL4814804)	Agonist activity at human kappa opioid receptor expressed in U2OS cells assessed as beta-arrestin2 recruitment incubated for 90 mins by PathHunter assay
50013690	10	ChEMBL_2106130 (CHEMBL4814805)	Agonist activity at human delta opioid receptor expressed in CHO-K1 cells assessed as beta-arrestin2 recruitment incubated for 90 mins by PathHunter assay
50013691	1	ChEMBL_2106180 (CHEMBL4814855)	Inhibition of FLT3 (unknown origin) using MBP as substrate incubated for 40 mins in presence of ATP by ADP-Glo assay
50013693	1	ChEMBL_2106236 (CHEMBL4814911)	Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated for 1 hr by Z'-LYTE assay
50013693	2	ChEMBL_2106238 (CHEMBL4814913)	Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 insect cells incubated for 1 hr by LanthaScreen assay
50013693	3	ChEMBL_2106239 (CHEMBL4814914)	Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated for 1 hr by Z'-LYTE assay
50013694	1	ChEMBL_2106332 (CHEMBL4815007)	Inhibition of PDE4B (unknown origin) assessed as hydrolysis of [3H]-cGMP into [3H]-GMP incubated for 30 mins by scintillation of proximity assay
50013694	2	ChEMBL_2106363 (CHEMBL4815038)	Inhibition of PDE1A (unknown origin)
50013694	3	ChEMBL_2106364 (CHEMBL4815039)	Inhibition of PDE1B (unknown origin)
50013694	4	ChEMBL_2106365 (CHEMBL4815040)	Inhibition of PDE1C (unknown origin)
50013694	5	ChEMBL_2106366 (CHEMBL4815041)	Inhibition of PDE2A (unknown origin)
50013694	6	ChEMBL_2106367 (CHEMBL4815042)	Inhibition of PDE3A (unknown origin)
50013694	7	ChEMBL_2106368 (CHEMBL4815043)	Inhibition of PDE3B (unknown origin)
50013694	8	ChEMBL_2106369 (CHEMBL4815044)	Inhibition of PDE4B (unknown origin)
50013694	9	ChEMBL_2106370 (CHEMBL4815045)	Inhibition of PDE5A (unknown origin)
50013694	10	ChEMBL_2106371 (CHEMBL4815046)	Inhibition of PDE7A (unknown origin)
50013694	11	ChEMBL_2106372 (CHEMBL4815047)	Inhibition of PDE10A (unknown origin)
50013695	1	ChEMBL_2106375 (CHEMBL4815050)	Inhibition of fibrinogen binding to rat platelet integrin alpha2b beta3 by ELISA based solid phase binding assay
50013696	1	ChEMBL_2106390 (CHEMBL4815065)	Inhibition of HIV1 KP-5mvcR gp120 interaction with CD4 in human TZM-bl cells assessed as decrease in viral entry by MTT assay
50013696	2	ChEMBL_2106391 (CHEMBL4815066)	Inhibition of HIV1 KP-5mp1 gp120 interaction with CD4 human TZM-bl cells assessed as decrease in viral entry by MTT assay
50013699	1	ChEMBL_2106497 (CHEMBL4815172)	Inhibition of LPS induced NO-dependent iNOS activity in mouse RAW 264.7 cells preincubated for 1 hrs followed by LPS stimulation and measured after 24 hrs by Griess reagent based assay
50013699	2	ChEMBL_2106513 (CHEMBL4815188)	Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate measured after 20 mins by LC-MS/MS analysis
50013699	3	ChEMBL_2106514 (CHEMBL4815189)	Inhibition of CYP2C9 in human liver microsomes using Diclofenac as substrate measured after 20 mins by LC-MS/MS analysis
50013699	4	ChEMBL_2106515 (CHEMBL4815190)	Inhibition of CYP2C19 in human liver microsomes using Mephenytoin as substrate measured after 20 mins by LC-MS/MS analysis
50013699	5	ChEMBL_2106516 (CHEMBL4815191)	Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate measured after 20 mins by LC-MS/MS analysis
50013699	6	ChEMBL_2106517 (CHEMBL4815192)	Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysis
50013700	1	ChEMBL_2106551 (CHEMBL4815226)	Inhibition of wild type FLT3 (unknown origin) using Glu/Tyr peptide substrate incubated for 120 mins measured after 40 mins incubation under dark by ADP-glo based luminescence assay
50013700	2	ChEMBL_2106552 (CHEMBL4815227)	Inhibition of FLT3 ITD mutant (unknown origin) using Glu/Tyr peptide substrate incubated for 120 mins measured after 40 mins incubation under dark by ADP-glo based luminescence assay
50013700	3	ChEMBL_2106553 (CHEMBL4815228)	Inhibition of CDK1/cyclin B (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by ADP-glo based luminescence assay
50013700	4	ChEMBL_2106554 (CHEMBL4815229)	Inhibition of CDK2/cyclin E (unknown origin) using histone 1 protein substrate incubated for 120 mins measured after 40 mins incubation under dark by ADP-glo based luminescence assay
50013700	5	ChEMBL_2106555 (CHEMBL4815230)	Inhibition of CDK7/cyclin H/MAT1 (unknown origin) using HYSPTSPSYSPTSPSYSPTSPSKKKK-O substrate incubated for 120 mins measured after 40 mins incubation under dark by ADP-glo based luminescence assay
50013700	6	ChEMBL_2106559 (CHEMBL4815234)	Inhibition of FLT3 D835Y mutant (unknown origin) incubated for 120 mins by ADP-glo based luminescence assay
50013700	7	ChEMBL_2106561 (CHEMBL4815236)	Inhibition of FLT3 F594_R595insR mutant (unknown origin) incubated for 120 mins by ADP-glo based luminescence assay
50013700	8	ChEMBL_2106562 (CHEMBL4815237)	Inhibition of FLT3 R595_E596insEY mutant (unknown origin) incubated for 120 mins by ADP-glo based luminescence assay
50013705	1	ChEMBL_2106647 (CHEMBL4815322)	Inhibition of Escherichia coli DNA gyrase assessed as reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay
50013705	2	ChEMBL_2106648 (CHEMBL4815323)	Inhibition of Staphylococcus aureus DNA gyrase assessed reduction in relaxation of supercoiled pNO1 DNA measured after 30 mins by fluorescence assay
50013706	1	ChEMBL_2106795 (CHEMBL4815470)	Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 insect cell membranes co-expressing RGS4 incubated for 60 mins by microbeta scintillation counting method
50013706	2	ChEMBL_2106796 (CHEMBL4815471)	Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 insect cell membranes co-expressing GSalphaS incubated for 60 mins by microbeta scintillation counting method
50013706	3	ChEMBL_2106797 (CHEMBL4815472)	Displacement of [3H]UR-P129 from human histamine H3 receptor expressed in sf9 insect cell membranes co-expressing Galphai2/Gbeta1gamma2 incubated for 60 mins by microbeta scintillation counting method
50013706	4	ChEMBL_2106798 (CHEMBL4815473)	Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 insect cell membranes co-expressing Galphai2/Gbeta1gamma2 incubated for 60 mins by microbeta scintillation counting method
50013706	5	ChEMBL_2106802 (CHEMBL4815477)	Agonist activity at guinea pig right atrium histamine H2 receptor assessed as increase in heart rate incubated for 30 mins in presence of cimetidine
50013706	6	ChEMBL_2106804 (CHEMBL4815479)	Agonist activity at human histamine receptor expressed in sf9 insect cell membranes co-exprssing GsalphaS incubated for 90 mins [35S]GTPgammaS binding based microbeta scintillation counting analysis
50013706	7	ChEMBL_2106806 (CHEMBL4815481)	Agonist activity at human histamine H2 receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay
50013706	8	ChEMBL_2106809 (CHEMBL4815484)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293T cells co-expressing CRE-Luc incubated for 60 mins by microbeta scintillation counting method
50013706	9	ChEMBL_2106810 (CHEMBL4815485)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293T cells co-expressing CRE-Luc incubated for 60 mins by microbeta scintillation counting method
50013706	10	ChEMBL_2106813 (CHEMBL4815488)	Agonist activity at human histamine D2L receptor receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay
50013706	11	ChEMBL_2106815 (CHEMBL4815490)	Agonist activity at human histamine D3 receptor receptor expressed in HEK293T cells co-expressing ELucC by beta arrestin2 recruitment assay
50013707	1	ChEMBL_2106818 (CHEMBL4815493)	Inhibition of spike glycoprotein S in SARS-CoV-2 pseudovirus infected in human 293T/ACE2 cells assessed as inhibition of viral infection pretreated the virus for 30 mins followed by viral infection measured after 48 hrs by by luciferase reporter gene assay
50013707	2	ChEMBL_2106827 (CHEMBL4815502)	Binding affinity to SARS-CoV-2 spike glycoprotein S RBD at 25 degreeC by surface plasmon resonance assay
50013708	1	ChEMBL_2106829 (CHEMBL4815504)	Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50013708	2	ChEMBL_2106831 (CHEMBL4815506)	Binding affinity to CM5 sensor chip immobilized recombinant human AChE assessed as dissociation constant at 298.15 K by surface plasmon resonance assay
50013708	3	ChEMBL_2106840 (CHEMBL4815515)	Inhibition of rat serum BuChE using S-butyrylthiocholine iodide as substrate incubated for 8 mins by Ellman's method
50013708	4	ChEMBL_2106897 (CHEMBL4815572)	Inhibition of human ERG
50013708	5	ChEMBL_2106920 (CHEMBL4815595)	Inhibition of CYP2C9 in human hepatocytes
50013708	6	ChEMBL_2106921 (CHEMBL4815596)	Inhibition of CYP1A2 in human hepatocytes
50013708	7	ChEMBL_2106922 (CHEMBL4815597)	Inhibition of CYP2B6 in human hepatocytes
50013708	8	ChEMBL_2106923 (CHEMBL4815598)	Inhibition of CYP2C8 in human hepatocytes
50013708	9	ChEMBL_2106924 (CHEMBL4815599)	Inhibition of CYP2C19 in human hepatocytes
50013708	10	ChEMBL_2106925 (CHEMBL4815600)	Inhibition of CYP2D6 in human hepatocytes
50013708	11	ChEMBL_2106926 (CHEMBL4815601)	Inhibition of CYP3A4 in human hepatocytes
50013710	1	ChEMBL_2106934 (CHEMBL4815609)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition analysis
50013710	2	ChEMBL_2106935 (CHEMBL4815610)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition analysis
50013710	3	ChEMBL_2106936 (CHEMBL4815611)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition analysis
50013710	4	ChEMBL_2106937 (CHEMBL4815612)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition analysis
50013710	5	ChEMBL_2106938 (CHEMBL4815613)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in CHO cell membranes assessed as inhibition constant by radioligand competition analysis
50013710	6	ChEMBL_2106941 (CHEMBL4815616)	Antagonist activity at human muscarinic acetylcholine receptor M2 expressed in human HEK293T cells coexpressing NlucN-mini-Gsi assessed as inhibition of iperoxo-induced mini-Gsi recruitment by measuring equilibrium binding constant by nano-luciferase technique
50013710	7	ChEMBL_2106942 (CHEMBL4815617)	Antagonist activity at human muscarinic acetylcholine receptor M2 expressed in human HEK293T cells coexpressing NlucN-mini-Gsi assessed as inhibition of iperoxo-induced mini-Gsi recruitment by measuring right ward shift of iperoxo-concentration-response curves at 58 nM preincubated for 120 mins followed by iperoxo-addition and measured by nano-luciferase technique
50013710	8	ChEMBL_2106943 (CHEMBL4815618)	Antagonist activity at human muscarinic acetylcholine receptor M2 expressed in human HEK293T cells coexpressing NlucN-mini-Gsi assessed as inhibition of iperoxo-induced mini-Gsi recruitment by measuring right ward shift of iperoxo-concentration-response curves at 16 uM preincubated for 120 mins followed by iperoxo-addition and measured by nano-luciferase technique
50013712	1	ChEMBL_2106944 (CHEMBL4815619)	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor incubated for 1 hr by liquid scintillation counting method
50013712	2	ChEMBL_2106945 (CHEMBL4815620)	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor incubated for 1 hr by liquid scintillation counting method
50013712	3	ChEMBL_2106946 (CHEMBL4815621)	Displacement of [3H]N-methylspiperone from human dopamine D4 receptor incubated for 1 hr by liquid scintillation counting method
50013712	4	ChEMBL_2106947 (CHEMBL4815622)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by liquid scintillation counting method
50013712	5	ChEMBL_2106948 (CHEMBL4815623)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor incubated for 1 hr by liquid scintillation counting method
50013712	6	ChEMBL_2106949 (CHEMBL4815624)	Displacement of [3H]-Mesulergine from human 5-HT2C receptor incubated for 1 hr by liquid scintillation counting method
50013712	7	ChEMBL_2106950 (CHEMBL4815625)	Displacement of [3H]-LSD from human 5-HT7 receptor incubated for 1 hr by liquid scintillation counting method
50013712	8	ChEMBL_2106951 (CHEMBL4815626)	Displacement of [3H]-citalopram from human SERT receptor incubated for 1 hr by liquid scintillation counting method
50013712	9	ChEMBL_2106958 (CHEMBL4815633)	Agonist activity at human 5-HT1A receptor expressed in HEK cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay
50013712	10	ChEMBL_2106960 (CHEMBL4815635)	Agonist activity at human 5-HT7A receptor expressed in HEK cell membranes incubated for 20 mins by cAMP functional assay
50013712	11	ChEMBL_2106962 (CHEMBL4815637)	Antagonist activity at human 5-HT7A receptor expressed in HEK cell membranes assessed as reduction in serotonin-induced cAMP accumulation incubated for 20 mins by cAMP functional assay
50013713	1	ChEMBL_2107052 (CHEMBL4815727)	Inhibition of Mycobacterium tuberculosis InhA
50013714	1	ChEMBL_2107053 (CHEMBL4815728)	Inhibition of human ALK2 using casein as substrate incubated for 30 mins in presence of [gamma33P]ATP by radiometric hotspot kinase assay
50013714	2	ChEMBL_2107054 (CHEMBL4815729)	Inhibition of recombinant RIPK2 (unknown origin) using RS repeat peptide as substrate preincubated for 5 mins followed by substrate and ATP addition and further incubated for 2 hrs by ADP-Glo reagent based assay
50013714	3	ChEMBL_2107055 (CHEMBL4815730)	Inhibition of human NOD2 expressed in HEK-blue cells coexpressing NFkappaB-SEAP reporter assessed as reduction in L18-MDP-induced NF-kappaB activation preincubated for 15 mins followed by L18-MDP stimulation and further incubated for 8 hrs by SEAP reporter gene assay
50013714	4	ChEMBL_2107067 (CHEMBL4815742)	Inhibition of RIPK2 in human U-937 cells
50013716	1	ChEMBL_2107115 (CHEMBL4815790)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using peptide as substrate incubated for 2 hrs followed by substrate addition and measured after 30 mins by TR-FRET assay
50013716	2	ChEMBL_2107116 (CHEMBL4815791)	Inhibition of recombinant human N-terminal GST-tagged EGFR T790M mutant (669 to 1210 residues) expressed in baculovirus expression system using peptide as substrate incubated for 2 hrs followed by substrate addition and measured after 30 mins by TR-FRET assay
50013716	3	ChEMBL_2107117 (CHEMBL4815792)	Inhibition of human carbonic anhydrase 2 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysis
50013716	4	ChEMBL_2107118 (CHEMBL4815793)	Inhibition of human carbonic anhydrase 9 using p-nitrophenyl acetate as substrate by UV-VIS spectrophotometric analysis
50013717	1	ChEMBL_2107154 (CHEMBL4815829)	Inhibition of recombinant His-tagged human TRKA (441 to 796 residues) expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by mobility shift assay
50013717	2	ChEMBL_2107160 (CHEMBL4815835)	Inhibition of recombinant His-tagged human TRKB expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by mobility shift assay
50013717	3	ChEMBL_2107161 (CHEMBL4815836)	Inhibition of recombinant His-tagged human TRKC expressed in baculovirus expression system using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by mobility shift assay
50013717	4	ChEMBL_2107162 (CHEMBL4815837)	Inhibition of Aurora A (unknown origin)
50013717	5	ChEMBL_2107163 (CHEMBL4815838)	Inhibition of Aurora B (unknown origin)
50013717	6	ChEMBL_2107164 (CHEMBL4815839)	Inhibition of CSF1R (unknown origin)
50013717	7	ChEMBL_2107165 (CHEMBL4815840)	Inhibition of MAP4K4 (unknown origin)
50013717	8	ChEMBL_2107166 (CHEMBL4815841)	Inhibition of EGFR (unknown origin)
50013717	9	ChEMBL_2107167 (CHEMBL4815842)	Inhibition of NEK2 (unknown origin)
50013718	1	ChEMBL_2107253 (CHEMBL4815928)	Inhibition of human CYP2C9
50013720	1	ChEMBL_2107256 (CHEMBL4815931)	Inhibition of recombinant human CLK1 (130 to end residues) using ERMRPRKRQGSVR as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013720	2	ChEMBL_2107268 (CHEMBL4815943)	Inhibition of recombinant human CLK2 (138 to end residues) using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013720	3	ChEMBL_2107269 (CHEMBL4815944)	Inhibition of recombinant full length human CLK3 using ERMRPRKRQGSVR as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013720	4	ChEMBL_2107270 (CHEMBL4815945)	Inhibition of recombinant human CLK4 (128 to end residues) using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013720	5	ChEMBL_2107271 (CHEMBL4815946)	Inhibition of recombinant full length human DYRK1A using RRRFRPASPLRGPPK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013720	6	ChEMBL_2107272 (CHEMBL4815947)	Inhibition of recombinant full length human DYRK1B using RRRFRPASPLRGPPK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013721	1	ChEMBL_2107299 (CHEMBL4815974)	Antagonist activity at P2Y14 (unknown origin) expressed in HEK293 cells assessed as reduction in cAMP production incubated for 30 mins by ADP-glo assay
50013725	1	ChEMBL_2107328 (CHEMBL4816003)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by T-fluorescence assay relative to control
50013725	2	ChEMBL_2107331 (CHEMBL4816006)	Inhibition of rat cortex homogenate acetylcholinesterase by Ellman's method
50013725	3	ChEMBL_2107332 (CHEMBL4816007)	Inhibition of rat serum BuChE by Ellman's method
50013725	4	ChEMBL_2107333 (CHEMBL4816008)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50013725	5	ChEMBL_2107337 (CHEMBL4816012)	Mixed type inhibition of electric eel AChE by reciprocal Lineweaver-Burk plot analysis
50013725	6	ChEMBL_2107345 (CHEMBL4816020)	Inhibition of human recombinant MAO-B by multimode plate reader assay
50013725	7	ChEMBL_2107346 (CHEMBL4816021)	Inhibition of human recombinant MAO-A by multimode plate reader assay
50013726	1	ChEMBL_2107358 (CHEMBL4816033)	Inhibition of human CA1 by stopped- flow CO2 hydration assay
50013726	2	ChEMBL_2107359 (CHEMBL4816034)	Inhibition of human CA2 by stopped- flow CO2 hydration assay
50013726	3	ChEMBL_2107360 (CHEMBL4816035)	Inhibition of human CA9 by stopped- flow CO2 hydration assay
50013726	4	ChEMBL_2107361 (CHEMBL4816036)	Inhibition of human CA12 by stopped- flow CO2 hydration assay
50013726	5	ChEMBL_2107374 (CHEMBL4816049)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013727	1	ChEMBL_2107380 (CHEMBL4816055)	Binding affinity to HER2 ECD (unknown origin) by SPR analysis
50013727	2	ChEMBL_2107381 (CHEMBL4816056)	Binding affinity to HER2 domain IV (unknown origin) by SPR analysis
50013728	1	ChEMBL_2107504 (CHEMBL4816179)	Non-competitive inhibition of recombinant ASAH2 stably over expressed in human A-375 cell lysate using RBM14C24 as substrate
50013728	2	ChEMBL_2107505 (CHEMBL4816180)	Non-competitive inhibition of ACER3 in ASAH2-null mouse embryonic fibroblast lysate using RBM14C16 as substrate
50013728	3	ChEMBL_2107506 (CHEMBL4816181)	Inhibition of human ASAH1 stably over expressed in human intact A-375 cells using RBM14C12 fluorogenic substrate measured at pH 4.5 by fluorescence spectrophotometry
50013728	4	ChEMBL_2107518 (CHEMBL4816193)	Inhibition of recombinant human ASAH2 using RBM14C24 fluorogenic substrate measured at pH 7.5
50013728	5	ChEMBL_2107519 (CHEMBL4816194)	Inhibition of human ASAH2 stably over expressed in human A-375 cell lysate using RBM14C24 fluorogenic substrate measured at pH 7.5 by fluorescence spectrophotometry
50013729	1	ChEMBL_2107522 (CHEMBL4816197)	Non-competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analysis
50013729	2	ChEMBL_2107523 (CHEMBL4816198)	Binding affinity to G6PD (unknown origin) assessed as equilibrium dissociation constant by surface plasmon resonance assay
50013729	3	ChEMBL_2107524 (CHEMBL4816199)	Inhibition of G6PD (unknown origin) assessed as reduction in 6-phospho-D-glucono-1,5-lactone and NADPH production using glucose-6-phosphate and NADP+ as substrate incubated for 15 mins by UV absorption photometry assay
50013729	4	ChEMBL_2107526 (CHEMBL4816201)	Competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analysis
50013729	5	ChEMBL_2107534 (CHEMBL4816209)	Competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis
50013729	6	ChEMBL_2107535 (CHEMBL4816210)	Non-competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis
50013732	1	ChEMBL_2107539 (CHEMBL4816214)	Inhibition of IL-6 induced STAT3 transcriptional activity in human HepG2 cells incubated for 1 hr followed by stimulation with IL-6 for 5.5 hrs by luciferase reporter gene assay
50013732	2	ChEMBL_2107563 (CHEMBL4816238)	Inhibition of IFN-gamma-induced STAT1 transcriptional activity in human HepG2 cells by luciferase reporter gene assay
50013732	3	ChEMBL_2107571 (CHEMBL4816246)	Binding affinity to His-tagged STAT3-SH2 domain (127 to 722 residues) (unknown origin) by surface plasmon resonance analysis
50013733	1	ChEMBL_2107583 (CHEMBL4816258)	Inhibition of CSF1R in mouse MNFS-60 cells assessed as reduction in CSF-induced cell viability after 48 hrs by Ez-cytox reagent based assay
50013733	2	ChEMBL_2107597 (CHEMBL4816272)	Inhibition of CSF1R (unknown origin)
50013733	3	ChEMBL_2107598 (CHEMBL4816273)	Inhibition of CSF1R (unknown origin) (538 to 972 residues) expressed in baculovirus expression system using SYEGNSYTFIDPTQ as substrate incubated for 80 mins in presence of ATP by fluorescence polarization assay
50013733	4	ChEMBL_2107599 (CHEMBL4816274)	Inhibition of CSF1R (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated peptide substrate incubated for 30 mins in presence of ATP by Alphascreen assay
50013733	5	ChEMBL_2107600 (CHEMBL4816275)	Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50013733	6	ChEMBL_2107601 (CHEMBL4816276)	Inhibition of N-terminal GST-tagged CSF1R (unknown origin) (547 to 980 residues) expressed in baculovirus infected Sf9 cells using biotin-EAIYAPFAKKK-NH2 as substrate incubated for 40 mins in presence of ATP by scintillation counting method
50013734	1	ChEMBL_2107603 (CHEMBL4816278)	Antagonist activity at human D1 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation
50013734	2	ChEMBL_2107604 (CHEMBL4816279)	Agonist activity at muscarinic M1 receptor (unknown origin) expressed in CHO cells
50013734	3	ChEMBL_2107606 (CHEMBL4816281)	Agonist activity at muscarinic M2 receptor (unknown origin) expressed in CHO cells
50013734	4	ChEMBL_2107607 (CHEMBL4816282)	Agonist activity at muscarinic M3 receptor (unknown origin) expressed in CHO cells
50013734	5	ChEMBL_2107608 (CHEMBL4816283)	Agonist activity at muscarinic M4 receptor (unknown origin) expressed in CHO cells
50013734	6	ChEMBL_2107609 (CHEMBL4816284)	Antagonist activity at human D2 receptor expressed in CHO cells assessed as inhibition of dopamine-induced calcium accumulation
50013735	1	ChEMBL_2107635 (CHEMBL4816310)	Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using 3H-AdoMet as substrate incubated for 30 mins
50013735	2	ChEMBL_2107636 (CHEMBL4816311)	Binding affinity to human DNMT3A catalytic domain assessed as inhibition of enzyme-mediated DNA methylation using poly dl-dC as substrate incubated for 30 mins
50013735	3	ChEMBL_2107640 (CHEMBL4816315)	Mixed type inhibition of human DNMT3A using AdoMet as substrate
50013735	4	ChEMBL_2107641 (CHEMBL4816316)	Mixed type inhibition of human DNMT3A using poly dl-dC as substrate
50013735	5	ChEMBL_2107642 (CHEMBL4816317)	Uncompetitive inhibition of human DNMT3A using AdoMet as substrate
50013735	6	ChEMBL_2107643 (CHEMBL4816318)	Uncompetitive inhibition of human DNMT3A using poly dl-dC as substrate
50013736	1	ChEMBL_2108109 (CHEMBL4816784)	Inhibition of Glyoxalase-1 (unknown origin) assessed as inhibition of S-D-lactoylglutathione formation using MG and reduced glutathione as substrate by spectrophotometric method
50013739	1	ChEMBL_2108279 (CHEMBL4816954)	Inhibition of MDM2 (unknown origin) using peptide as substrate incubated for 30 mins by fluorescence polarization assay
50013740	1	ChEMBL_2108317 (CHEMBL4816992)	Inhibition of PTL (unknown origin)
50013741	1	ChEMBL_2108329 (CHEMBL4817004)	Inhibition of P-glycoprotein in human MCF7/ADR cells assessed as reversal fold by measuring reduction in doxorubicin IC50 at 5 uM incubated for 48 hrs by CCK-8 assay
50013742	1	ChEMBL_2108347 (CHEMBL4817022)	Binding affinity to human wild type RIPK3 (M1/Q307) expressed in bacterial expression system by Kinomescan method
50013742	2	ChEMBL_2108348 (CHEMBL4817023)	Binding affinity to human wild type RIPK1 (M1/K305) expressed in bacterial expression system by Kinomescan method
50013742	3	ChEMBL_2108351 (CHEMBL4817026)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by caliper mobility shift assay
50013742	4	ChEMBL_2108352 (CHEMBL4817027)	Inhibition of PDGFRA (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by caliper mobility shift assay
50013742	5	ChEMBL_2108353 (CHEMBL4817028)	Inhibition of CDK4/Cyclin D3 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by caliper mobility shift assay
50013742	6	ChEMBL_2108354 (CHEMBL4817029)	Inhibition of human ALK4 using ATP as substrate incubated for 60 mins by ADP-glo based luminescence assay
50013742	7	ChEMBL_2108355 (CHEMBL4817030)	Inhibition of BRAF (unknown origin) in presence of ATP by Lanthascreen TR-FRET assay
50013742	8	ChEMBL_2108356 (CHEMBL4817031)	Inhibition of mTOR (unknown origin) using ATP as substrate after 60 mins by Lance ultra assay
50013742	9	ChEMBL_2108357 (CHEMBL4817032)	Inhibition of human PI3Kalpha using ATP as substrate at 25 uM incubated for 60 mins by ADP-glo based luminescence assay
50013742	10	ChEMBL_2108364 (CHEMBL4817039)	Inhibition of human ERG expressed in CHO-K1 cells by QPatch - automated patch-clamp technology
50013743	1	ChEMBL_2108423 (CHEMBL4817098)	Inhibition of PARP1 (unknown origin) using biotin-NAD+ as substrate incubated for 1 hr by ELISA
50013743	2	ChEMBL_2108424 (CHEMBL4817099)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 40 mins by ADP-glo plus luminescence assay
50013743	3	ChEMBL_2108430 (CHEMBL4817105)	Inhibition of PARP2 (unknown origin) using biotin-NAD+ as substrate incubated for 1 hr by ELISA
50013743	4	ChEMBL_2108431 (CHEMBL4817106)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50013743	5	ChEMBL_2108432 (CHEMBL4817107)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr by ADP-glo plus luminescence assay
50013743	6	ChEMBL_2108433 (CHEMBL4817108)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 2 hrs by ADP-glo plus luminescence assay
50013743	7	ChEMBL_2108434 (CHEMBL4817109)	Inhibition of AKT (unknown origin)
50013743	8	ChEMBL_2108435 (CHEMBL4817110)	Inhibition of mTOR (unknown origin)
50013743	9	ChEMBL_2108440 (CHEMBL4817115)	Inhibition of human ERG
50013744	1	ChEMBL_2108467 (CHEMBL4817142)	Inhibition of Klebsiella pneumoniae KPC-2
50013744	2	ChEMBL_2108469 (CHEMBL4817144)	Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)
50013745	1	ChEMBL_2108569 (CHEMBL4817244)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013745	2	ChEMBL_2108570 (CHEMBL4817245)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013745	3	ChEMBL_2108571 (CHEMBL4817246)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013745	4	ChEMBL_2108584 (CHEMBL4817259)	Inhibition of human CA9 preincubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50013746	1	ChEMBL_2108585 (CHEMBL4817260)	Inhibition of NPP1 (unknown origin) transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins by spectrophotometric method
50013746	2	ChEMBL_2108586 (CHEMBL4817261)	Inhibition of NPP3 (unknown origin) transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins by spectrophotometric method
50013746	3	ChEMBL_2108587 (CHEMBL4817262)	Inhibition of human NPP1 transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins
50013746	4	ChEMBL_2108588 (CHEMBL4817263)	Inhibition of human NPP3 transfected in COS7 cells using pNP-TMP as substrate incubated for 35 mins
50013748	1	ChEMBL_2108609 (CHEMBL4817284)	Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013748	2	ChEMBL_2108614 (CHEMBL4817289)	Inhibition of human recombinant HDAC2 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013748	3	ChEMBL_2108615 (CHEMBL4817290)	Inhibition of human recombinant HDAC3 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013748	4	ChEMBL_2108616 (CHEMBL4817291)	Inhibition of human recombinant HDAC6 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013748	5	ChEMBL_2108617 (CHEMBL4817292)	Inhibition of human recombinant HDAC8 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013748	6	ChEMBL_2108618 (CHEMBL4817293)	Inhibition of human recombinant HDAC10 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate by measuring fluorescence intensity incubated for 30 mins by microplate reader assay
50013749	1	ChEMBL_2108667 (CHEMBL4817342)	Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate
50013749	2	ChEMBL_2108668 (CHEMBL4817343)	Inhibition of human recombinant HDAC3 using [RHKK(Ac)] fluorogenic substrate
50013749	3	ChEMBL_2108669 (CHEMBL4817344)	Inhibition of human recombinant HDAC6 expressed in baculovirus infected insect cells using [RHKK(Ac)] fluorogenic substrate
50013749	4	ChEMBL_2108670 (CHEMBL4817345)	Inhibition of human recombinant HDAC8 using [RHKK(Ac)] fluorogenic substrate
50013753	1	ChEMBL_2108730 (CHEMBL4817405)	Inhibition of ALK (unknown origin)
50013753	2	ChEMBL_2108731 (CHEMBL4817406)	Inhibition of ALK G1202R mutant (unknown origin)
50013754	1	ChEMBL_2108773 (CHEMBL4817448)	Binding affinity to human serum albumin assessed as dissociation constant by fluorescence emission spectrophotometric analysis
50013755	1	ChEMBL_2108812 (CHEMBL4817487)	Displacement of [3H]-N-methylscopolamine from human muscarinic M3 receptor
50013755	2	ChEMBL_2108813 (CHEMBL4817488)	Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor
50013756	1	ChEMBL_2108852 (CHEMBL4817527)	Inhibition of ASM (unknown origin)-mediated KRAS mislocalization from plasma membrane
50013760	1	ChEMBL_2108934 (CHEMBL4817609)	Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed in Escherichia coli BL21 (DE3) assessed as reduction in DCN1/UBC12 interaction incubated for 30 mins by fluorescence polarization assay
50013760	2	ChEMBL_2108935 (CHEMBL4817610)	Inhibition of recombinant human His-tagged DCN1 (58 to 259 residues) expressed in Escherichia coli BL21 (DE3) using MIKLFSLKQQKKEEESAGGTK-biotin as substrate incubated for 30 mins by HTRF assay
50013760	3	ChEMBL_2108938 (CHEMBL4817613)	Inhibition of recombinant human GST-tagged DCN2 (62 to 259 residues) expressed in Escherichia coli BL21 (DE3) using MIKLFSLKQQKKEEESAGGTK-biotin as substrate incubated for 30 mins by HTRF assay
50013760	4	ChEMBL_2108939 (CHEMBL4817614)	Inhibition of recombinant human GST-tagged DCN3 (86 to 304 residues) expressed in Escherichia coli BL21 (DE3) using MIKLFSLKQQKKEEESAGGTK-biotin as substrate incubated for 30 mins by HTRF assay
50013760	5	ChEMBL_2108940 (CHEMBL4817615)	Inhibition of recombinant human GST-tagged DCN4 (102 to 292 residues) expressed in Escherichia coli BL21 (DE3) using MIKLFSLKQQKKEEESAGGTK-biotin as substrate incubated for 30 mins by HTRF assay
50013760	6	ChEMBL_2108941 (CHEMBL4817616)	Inhibition of recombinant human GST-tagged DCN5 (47 to 237 residues) expressed in Escherichia coli BL21 (DE3) using MIKLFSLKQQKKEEESAGGTK-biotin as substrate incubated for 30 mins by HTRF assay
50013760	7	ChEMBL_2108988 (CHEMBL4817663)	Binding affinity to recombinant human His-tagged DCN1 (58 to 259 residues) expressed in Escherichia coli BL21 (DE3) by biolayer interferometry
50013761	1	ChEMBL_2108991 (CHEMBL4817666)	Inhibition of BACE1 (unknown origin)
50013761	2	ChEMBL_2108992 (CHEMBL4817667)	Inhibition of BACE1 (unknown origin) by HTRF assay
50013761	3	ChEMBL_2108993 (CHEMBL4817668)	Inhibition of BACE1 in human SH-SY5Y cells expressing APP assessed as reduction in Abeta40 by HTRF assay
50013762	1	ChEMBL_2109053 (CHEMBL4817728)	Inhibition of TNFR1 binding to human TNFalpha expressed in Escherichia coli BL21 (DE3) incubated for 60 mins by ELISA
50013763	1	ChEMBL_2109136 (CHEMBL4817811)	Inhibition of DNA topoisomerase 1 (unknown origin)
50013764	1	ChEMBL_2109172 (CHEMBL4817847)	Inhibition of full-length human heart His6-tagged PRL-3 expressed in Escherichia coli using DiFMUP as substrate incubated for 35 mins by fluorescence based assay
50013764	2	ChEMBL_2109173 (CHEMBL4817848)	Inhibition of human brain PRL-3 (1 to 168 residues) expressed in Escherichia coli BL21(DE3) cells using DiFMUP as substrate incubated for 1 hr by fluorimetric assay
50013764	3	ChEMBL_2109174 (CHEMBL4817849)	Inhibition of PRL-3 (unknown origin) using DiFMUP as substrate incubated for 1 hr
50013764	4	ChEMBL_2109175 (CHEMBL4817850)	Inhibition of recombinant human His6-tagged PRL-3 expressed in Escherichia coli using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50013764	5	ChEMBL_2109176 (CHEMBL4817851)	Inhibition of PRL-3 (unknown origin) using DiFMUP as substrate incubated for 5 mins
50013764	6	ChEMBL_2109206 (CHEMBL4817881)	Inhibition of full-length human brain His6-tagged PRL-1 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 peptide as substrate by IMAP-FP assay
50013764	7	ChEMBL_2109207 (CHEMBL4817882)	Inhibition of human His6-tagged PRL-2 expressed in Escherichia coli using TAMRA-Thr-Ala-Asp-Ile-Tyr(PO3H2)-Glu-NH2 peptide as substrate by IMAP-FP assay
50013766	1	ChEMBL_2109217 (CHEMBL4817892)	Displacement of [3H]-naloxone from mu opioid receptor (unknown origin) expressed in CHO cell membranes incubated for 1 hr by competitive radioligand binding assay
50013766	2	ChEMBL_2109218 (CHEMBL4817893)	Partial agonist activity at mu opioid receptor (unknown origin) expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay
50013766	3	ChEMBL_2109220 (CHEMBL4817895)	Displacement of [3H]-NLX from mouse mu opioid receptor expressed in CHO cell membranes measured after 1.5 hrs by competitive radioligand binding assay
50013766	4	ChEMBL_2109221 (CHEMBL4817896)	Partial agonist activity at mouse mu opioid receptor expressed in CHO cell membranes incubated for 1.5 hrs by [35S]GTPgammaS binding based scintillation counting method
50013767	1	ChEMBL_2109223 (CHEMBL4817898)	Inhibition of MAGL in mouse brain membrane using 2-AG as substrate by LC-MS analysis
50013767	2	ChEMBL_2109224 (CHEMBL4817899)	Inhibition of MAGL (unknown origin)
50013767	3	ChEMBL_2109225 (CHEMBL4817900)	Inhibition of human recombinant MAGL expressed in human HEK293T cells by gel-based competitive ABPP analysis
50013767	4	ChEMBL_2109226 (CHEMBL4817901)	Inhibition of recombinant rat MAGL by LC-MS analysis
50013767	5	ChEMBL_2109228 (CHEMBL4817903)	Binding affinity to MAGL (unknown origin) by SPR analysis
50013768	1	ChEMBL_2109283 (CHEMBL4817958)	Inhibition of PDL1 (unknown origin)
50013768	2	ChEMBL_2109284 (CHEMBL4817959)	Inhibition of Tag2-PD-1/Tag1-PDL-1 (unknown origin) interaction incubated for 15 mins by TR-FRET assay
50013770	1	ChEMBL_2109290 (CHEMBL4817965)	Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measured after 20 mins by fluorescence based assay
50013770	2	ChEMBL_2109291 (CHEMBL4817966)	Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay
50013770	3	ChEMBL_2109292 (CHEMBL4817967)	Inhibition of recombinant human LDHB using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measured after 20 mins by fluorescence based assay
50013770	4	ChEMBL_2109294 (CHEMBL4817969)	Inhibition of LDHA in human A673 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assay
50013770	5	ChEMBL_2109295 (CHEMBL4817970)	Binding affinity to LDHA (unknown origin) by SPR analysis
50013771	1	ChEMBL_2109349 (CHEMBL4818024)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA
50013771	2	ChEMBL_2109351 (CHEMBL4818026)	Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins followed by PGH2 addition and measured after 1 mins by EIA
50013771	3	ChEMBL_2109352 (CHEMBL4818027)	Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-stimulated PGE2 production
50013771	4	ChEMBL_2109353 (CHEMBL4818028)	Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assay
50013771	5	ChEMBL_2109354 (CHEMBL4818029)	Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGI2 production
50013771	6	ChEMBL_2109357 (CHEMBL4818032)	Binding affinity to human ERG
50013772	1	ChEMBL_2109369 (CHEMBL4818044)	Inhibition of MALT1 (unknown origin)
50013773	1	ChEMBL_2109438 (CHEMBL4818113)	Inhibition of LSD1 (unknown origin)
50013773	2	ChEMBL_2109441 (CHEMBL4818116)	Inhibition of MAO-A (unknown origin)
50013773	3	ChEMBL_2109442 (CHEMBL4818117)	Inhibition of MAO-B (unknown origin)
50013775	1	ChEMBL_2109463 (CHEMBL4818138)	Activation of human NAMPT
50013777	1	ChEMBL_2109571 (CHEMBL4818246)	Binding affinity to Staphylococcus aureus PBP2a assessed as dissociation constant by SPR assay
50013777	2	ChEMBL_2109572 (CHEMBL4818247)	Binding affinity to Staphylococcus aureus PBP2a assessed as equilibrium dissociation constant by SPR assay
50013778	1	ChEMBL_2109655 (CHEMBL4818330)	Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization by fluorescence based analysis
50013778	2	ChEMBL_2109657 (CHEMBL4818332)	Inhibition of alpha2a adrenergic receptor (unknown origin)
50013778	3	ChEMBL_2109658 (CHEMBL4818333)	Inhibition of dopamine D5 receptor (unknown origin)
50013778	4	ChEMBL_2109660 (CHEMBL4818335)	Inhibition of sigma 1 receptor (unknown origin)
50013778	5	ChEMBL_2109661 (CHEMBL4818336)	Inhibition of alpha2b adrenergic receptor (unknown origin)
50013778	6	ChEMBL_2109662 (CHEMBL4818337)	Inhibition of dopamine D3 receptor (unknown origin)
50013778	7	ChEMBL_2109663 (CHEMBL4818338)	Inhibition of dopamine D1 receptor (unknown origin)
50013778	8	ChEMBL_2109664 (CHEMBL4818339)	Inhibition of mu opioid receptor (unknown origin)
50013778	9	ChEMBL_2109665 (CHEMBL4818340)	Inhibition of alpha2c adrenergic receptor (unknown origin)
50013778	10	ChEMBL_2109666 (CHEMBL4818341)	Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced inositol-1-phosphate accumulation preincubated for 30 mins followed by UDP addition and measured after 30 mins by liquid scintillation counting method
50013778	11	ChEMBL_2109667 (CHEMBL4818342)	Antagonist activity at rat P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced inositol-1-phosphate accumulation preincubated for 30 mins followed by UDP addition and measured after 30 mins by liquid scintillation counting method
50013778	12	ChEMBL_2109668 (CHEMBL4818343)	Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization preincubated with compound for 5 mins followed by UDP addition by calcium-4 dye based FLIPR assay
50013780	1	ChEMBL_2109673 (CHEMBL4818348)	Inhibition of PDE2A (unknown origin)
50013781	1	ChEMBL_2109706 (CHEMBL4818381)	Partial agonist activity at FXR (unknown origin)
50013781	2	ChEMBL_2109709 (CHEMBL4818384)	Partial agonist activity at human FXR LBD assessed as induction of biotinylated coactivator SRC1 peptide recruitment measured after 2 hrs by FRET assay
50013783	1	ChEMBL_2109730 (CHEMBL4818405)	Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISA
50013783	2	ChEMBL_2109737 (CHEMBL4818412)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse BMDM cells assessed as inhibition of LPS and nigericin-induced IL-1beta production pre-treated for 1 hr measured after 1 hr of stimulation by ELISA
50013784	1	ChEMBL_2109866 (CHEMBL4818541)	Inhibition of recombinant human C-terminal FLAG-tagged HDAC1 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50013784	2	ChEMBL_2109867 (CHEMBL4818542)	Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 expressed in human HEK293F cells using Fluor-de-lys substrate as substrate incubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50013784	3	ChEMBL_2109868 (CHEMBL4818543)	Inhibition of recombinant human FLAG-tagged HDAC3 expressed in human HEK293F cells co-expressing His6-tagged SMRT (1 to 899 residues) using Fluor-de-lys substrate as substrate incubated for 3 hrs followed by substrate addition and measured after 60 mins by fluorescence based assay
50013784	4	ChEMBL_2109869 (CHEMBL4818544)	Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of 0.1 % heat inactivated NHS by Steady-Glo luciferase assay
50013784	5	ChEMBL_2109871 (CHEMBL4818546)	Activation of PXR (unknown origin) expressed in human DPX2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as induction of CYP3A4 transcriptional activity incubated for overnight by luminescence based analysis
50013784	6	ChEMBL_2109872 (CHEMBL4818547)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4'-hydroxy diclofenac level using diclofenac as substrate incubated for 10 mins by LC-MS/MS analysis
50013784	7	ChEMBL_2109875 (CHEMBL4818550)	Inhibition of class 1 HDAC in human Jurkat 2C4 model of HIV latency assessed as reactivation of HIV latency incubated for 18 to 24 hrs in presence of 5% heat inactivated NHS by Steady-Glo luciferase assay
50013784	8	ChEMBL_2109876 (CHEMBL4818551)	Inhibition of class 1 HDAC in quiescent human primary T-cell model of VSV-G pseudotyped HIV-1 latency assessed as reactivation of HIV latency incubated for 24 hrs in presence of 10% FBS by NanoGlo luciferase assay
50013784	9	ChEMBL_2109882 (CHEMBL4818557)	Inhibition of human 5HT2B receptor
50013785	1	ChEMBL_2109894 (CHEMBL4818569)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 5 mins followed by NADPH addition and measured after 5 mins by LC/MS/MS analysis
50013785	2	ChEMBL_2109895 (CHEMBL4818570)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 mins by LC/MS/MS analysis
50013786	1	ChEMBL_2109899 (CHEMBL4818574)	Inhibition of recombinant full length 6His-tagged PARP1 (unknown origin) incubated for 4 hrs by fluorescence anisotropy assay
50013788	1	ChEMBL_2109900 (CHEMBL4818575)	Inhibition of recombinant MAGL (unknown origin) using 4-Nitrophenlyacetate as substrate incubated for 15 mins followed by substrate addition and measured after 5 mins
50013789	1	ChEMBL_2109901 (CHEMBL4818576)	Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay
50013789	2	ChEMBL_2109902 (CHEMBL4818577)	Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA
50013790	1	ChEMBL_2109934 (CHEMBL4818609)	Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis
50013791	1	ChEMBL_2109957 (CHEMBL4818632)	Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013791	2	ChEMBL_2109963 (CHEMBL4818638)	Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50013793	1	ChEMBL_2109969 (CHEMBL4818644)	Inhibition of human MMP3 catalytic subunit by fluorometric analysis
50013795	1	ChEMBL_2110033 (CHEMBL4818708)	Inhibition of human HGPRT using PRib-PP as substrate by Hanes-plot based method
50013796	1	ChEMBL_2110044 (CHEMBL4818719)	Inhibition of human recombinant AChE assessed as reduction in cholinesterase activity using acetylthiocholine iodide as substrate by Ellman's method
50013796	2	ChEMBL_2110045 (CHEMBL4818720)	Inhibition of human plasmatic BuChE assessed as reduction in cholinesterase activity by Ellman's method
50013796	3	ChEMBL_2110049 (CHEMBL4818724)	Inhibition of human GluN1a/GluN2A receptor expressed in HEK293 cells assessed as inhibition of glycine/glutamate-induced current measured at -60 mV holding potential by whole-cell patch clamp method
50013796	4	ChEMBL_2110051 (CHEMBL4818726)	Inhibition of human GluN1a/GluN2B receptor expressed in HEK293 cells assessed as inhibition of glycine/glutamate-induced current measured at -60 mV holding potential by whole-cell patch clamp method
50013796	5	ChEMBL_2110053 (CHEMBL4818728)	Inhibition of human GluN1a/GluN2B receptor expressed in HEK293 cells assessed as relative inhibition of glycine/glutamate-induced current at 100 uM measured at +40 mV holding potential by whole-cell patch clamp method
50013796	6	ChEMBL_2110055 (CHEMBL4818730)	Inhibition of human GluN1a/GluN2A receptor expressed in HEK293 cells assessed as relative inhibition of glycine/glutamate-induced current measured at +40 mV holding potential by whole-cell patch clamp method
50013796	7	ChEMBL_2110056 (CHEMBL4818731)	Inhibition of human GluN1a/GluN2B receptor expressed in HEK293 cells assessed as relative inhibition of glycine/glutamate-induced current measured at +40 mV holding potential by whole-cell patch clamp method
50013797	1	ChEMBL_2110101 (CHEMBL4818776)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by solid scintillation counting method
50013797	2	ChEMBL_2110103 (CHEMBL4818778)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane by solid scintillation counting method
50013799	1	ChEMBL_2110128 (CHEMBL4818803)	Inhibition of HSP90 (unknown origin) assessed as competition of fluorescently labelled geldanamycin binding after 2 hrs by microplate reader analysis
50013799	2	ChEMBL_2110153 (CHEMBL4818828)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50013799	3	ChEMBL_2110154 (CHEMBL4818829)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate by LC-MS/MS analysis
50013799	4	ChEMBL_2110155 (CHEMBL4818830)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50013799	5	ChEMBL_2110156 (CHEMBL4818831)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50013799	6	ChEMBL_2110157 (CHEMBL4818832)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis
50013799	7	ChEMBL_2110158 (CHEMBL4818833)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50013799	8	ChEMBL_2110159 (CHEMBL4818834)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50013799	9	ChEMBL_2110160 (CHEMBL4818835)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by LC-MS/MS analysis
50013800	1	ChEMBL_2110229 (CHEMBL4818904)	Inhibition of ACC1 in human HepG2 cells assessed as lipid content using 13C-labelled acetate as substrate incubated for 1 hr followed by substrate addition and measured after 24 hrs by QTOF mass spectrometer
50013801	1	ChEMBL_2110230 (CHEMBL4818905)	Binding affinity to recombinant unphosphorylated human GST-tagged BTK kinase domain (389 to 659 residues) expressed in insect cells incubated for 1 hr by Lanthascreen assay
50013801	2	ChEMBL_2110232 (CHEMBL4818907)	Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition constant using NH2-KKKAPFSWYLPEEG as substrate measured every 2 mins for 2 hrs in presence of ATP by microplate reader assay
50013801	3	ChEMBL_2110234 (CHEMBL4818909)	Inhibition of BTK in C57Bl/6 mouse splenocyte assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr followed anti-IgM stimulation and measured after overnight by flow cytometry analysis
50013801	4	ChEMBL_2110236 (CHEMBL4818911)	Inhibition of recombinant human BTK using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	5	ChEMBL_2110237 (CHEMBL4818912)	Inhibition of recombinant human full length BMX using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	6	ChEMBL_2110238 (CHEMBL4818913)	Inhibition of recombinant human full length LCK using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	7	ChEMBL_2110239 (CHEMBL4818914)	Inhibition of recombinant human ERBB4 (706 to 991 residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	8	ChEMBL_2110240 (CHEMBL4818915)	Inhibition of recombinant human TEC (174 to end residues) using EFPIYDFLPAKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	9	ChEMBL_2110241 (CHEMBL4818916)	Inhibition of recombinant human TXK (256 to end residues) using GEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	10	ChEMBL_2110242 (CHEMBL4818917)	Inhibition of recombinant human FGR (2 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	11	ChEMBL_2110243 (CHEMBL4818918)	Inhibition of recombinant human B-RAF (416 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	12	ChEMBL_2110244 (CHEMBL4818919)	Inhibition of recombinant human SRC (1 to 530 residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	13	ChEMBL_2110245 (CHEMBL4818920)	Inhibition of recombinant human HCK (230 to 497 residues) using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting method
50013801	14	ChEMBL_2110266 (CHEMBL4818941)	Inhibition of BTK in human whole blood assessed as inhibition of IgM-induced B-cell activation
50013802	1	ChEMBL_2110276 (CHEMBL4818951)	Potentiation of CFTR in primary human epithelial enteroid cells assessed as chloride transport in presence of forskolin by measuring membrane potential incubated for 18 to 24 hrs by FLIPR Tetra based dye assay
50013803	1	ChEMBL_2110399 (CHEMBL4819249)	Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate by ELISA
50013803	2	ChEMBL_2110400 (CHEMBL4819250)	Inhibition of tyrosinase (unknown origin)
50013803	3	ChEMBL_2110407 (CHEMBL4819257)	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate by Lineweaver-Burk double reciprocal plot analysis
50013803	4	ChEMBL_2110410 (CHEMBL4819260)	Inhibition of mushroom tyrosinase assessed as reduction in dopachrome formation using L-DOPA as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50013803	5	ChEMBL_2110418 (CHEMBL4819268)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 30 mins by microplate reader analysis
50013803	6	ChEMBL_2110419 (CHEMBL4819269)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate measured after 15 mins by microplate reader analysis
50013803	7	ChEMBL_2110420 (CHEMBL4819270)	Inhibition of mushroom tyrosinase using L-tyrosine as substrate by HPLC analysis
50013805	1	ChEMBL_2110424 (CHEMBL4819274)	Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method
50013805	2	ChEMBL_2110425 (CHEMBL4819275)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in CHO-K1 cells incubated for 1 hr by microbeta counting method
50013805	3	ChEMBL_2110426 (CHEMBL4819276)	Displacement of [3H]-5-CT from human 5-HT7R expressed in human HEK293 cells incubated for 1 hr by microbeta counting method
50013805	4	ChEMBL_2110427 (CHEMBL4819277)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method
50013805	5	ChEMBL_2110428 (CHEMBL4819278)	Binding affinity to human 5-HT6 receptor expressed in HEK293 cells
50013806	1	ChEMBL_2110437 (CHEMBL4819287)	Inhibition of HDAC1 (unknown origin)
50013806	2	ChEMBL_2110438 (CHEMBL4819288)	Inhibition of HDAC6 (unknown origin)
50013806	3	ChEMBL_2110439 (CHEMBL4819289)	Inhibition of EGFR (unknown origin)
50013806	4	ChEMBL_2110441 (CHEMBL4819291)	Inhibition of HDAC in human HeLa cell nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50013806	5	ChEMBL_2110442 (CHEMBL4819292)	Inhibition of EGFR (unknown origin) incubated for 40 mins by kinase-glo plus luminescence assay
50013806	6	ChEMBL_2110446 (CHEMBL4819296)	Inhibition of CDK4 (unknown origin)
50013806	7	ChEMBL_2110448 (CHEMBL4819298)	Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate preincubated for 3 hrs followed by substrate addition and measured after 3 hrs by fluorescence method
50013806	8	ChEMBL_2110449 (CHEMBL4819299)	Inhibition of human PI3K alpha by ADP-Glo luminescent kinase assay
50013806	9	ChEMBL_2110450 (CHEMBL4819300)	Inhibition of human PI3K beta by ADP-Glo luminescent kinase assay
50013806	10	ChEMBL_2110451 (CHEMBL4819301)	Inhibition of human PI3K delta by ADP-Glo luminescent kinase assay
50013806	11	ChEMBL_2110452 (CHEMBL4819302)	Inhibition of HDAC1 (unknown origin) by color-de-lys assay
50013806	12	ChEMBL_2110457 (CHEMBL4819307)	Inhibition of human HDAC1 expressed in baculovirus expression system by fluorescence method
50013806	13	ChEMBL_2110458 (CHEMBL4819308)	Inhibition of BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50013806	14	ChEMBL_2110460 (CHEMBL4819310)	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489) expressed in baculovirus expression system using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013806	15	ChEMBL_2110462 (CHEMBL4819312)	Inhibition of G9a in human MDA-MB-231 cells assessed as effect on H3K9Me2 levels incubated for 48 hrs by immunofluorescence in-cell western assay
50013806	16	ChEMBL_2110463 (CHEMBL4819313)	Inhibition of DNMT1 (unknown origin) using poly(dI-dC)-poly(dI-dC as substrate in presence of [3H-SAM] preincubated for 15 mins followed by substrate and [3H-SAM] addition and measured after 120 mins by liquid scintillation counting method
50013806	17	ChEMBL_2110464 (CHEMBL4819314)	Inhibition of DNMT3A (unknown origin) using biotinylated DNA oligonucleotides as substrate in presence of [3H-SAM] preincubated for 15 mins followed by substrate and [3H-SAM] addition and measured after 4 hrs by liquid scintillation counting method
50013806	18	ChEMBL_2110465 (CHEMBL4819315)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate in preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence method
50013806	19	ChEMBL_2110470 (CHEMBL4819320)	Inhibition of HDAC class1 (unknown origin)
50013807	1	ChEMBL_2110582 (CHEMBL4819432)	Inhibition of mouse COX2
50013807	2	ChEMBL_2110583 (CHEMBL4819433)	Inhibition of mouse COX2 V523I mutant
50013807	3	ChEMBL_2110584 (CHEMBL4819434)	Inhibition of mouse COX2 S530A mutant
50013807	4	ChEMBL_2110585 (CHEMBL4819435)	Inhibition of mouse COX2 R120Q mutant
50013809	1	ChEMBL_2110649 (CHEMBL4819499)	Antagonist activity at AR in human LNCaP cells transfected with PSA assessed as inhibition of R1881-induced PSA luciferase activity pretreated with compound followed by R1881 addition and measured after 48 hrs by luciferase assay
50013809	2	ChEMBL_2110650 (CHEMBL4819500)	Inhibition of R1881-stimulated AR transcription driven human LNCaP cells proliferation preincubated for 1 hr followed by R1881 addition and measured after 4 days by Alamar blue assay
50013811	1	ChEMBL_2110657 (CHEMBL4819507)	Inhibition of human TRPML1deltaNC-YFP expressed in HEK293 cells preincubated for 10 mins followed by stimulation with ML-SA1 and measured after 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	2	ChEMBL_2110659 (CHEMBL4819509)	Inhibition of human TRPML2-YFP expressed in HEK293 cells preincubated for 10 mins followed by stimulation with ML-SA1 and measured after 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	3	ChEMBL_2110660 (CHEMBL4819510)	Inhibition of human TRPML3-YFP expressed in HEK293 cells preincubated for 10 mins followed by stimulation with ML-SA1 and measured after 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	4	ChEMBL_2110661 (CHEMBL4819511)	Activation of human TRPML1deltaNC-YFP expressed in HEK293 cells incubated for 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	5	ChEMBL_2110662 (CHEMBL4819512)	Activation of human TRPML2-YFP expressed in HEK293 cells incubated for 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	6	ChEMBL_2110663 (CHEMBL4819513)	Activation of human TRPML3-YFP expressed in HEK293 cells incubated for 10 mins by Fluo-4 dye calcium imaging based FLIPR analysis
50013811	7	ChEMBL_2110666 (CHEMBL4819516)	Inhibition of human TRPML1deltaNC-YFP expressed in HEK293 cells stimulated with ML-SA1 for 200 secs followed by incubation for 200 secs with compound and measured by Fura-2AM dye based single cell Calcium imaging assay
50013811	8	ChEMBL_2110667 (CHEMBL4819517)	Inhibition of human TRPML3-YFP expressed in HEK293 cells stimulated with ML-SA1 for 200 secs followed by incubation for 200 secs with compound and measured by Fura-2AM dye based single cell Calcium imaging assay
50013812	1	ChEMBL_2110676 (CHEMBL4819526)	Agonist activity at human beta1 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascreen technology
50013812	2	ChEMBL_2110677 (CHEMBL4819527)	Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as increase in intracellular cAMP level incubated for 1 hr by alphascreen technology
50013812	3	ChEMBL_2110679 (CHEMBL4819529)	Agonist activity at beta2 adrenoceptor (unknown origin)
50013812	4	ChEMBL_2110680 (CHEMBL4819530)	Agonist activity at human beta2 adrenoceptor expressed in CHO cells assessed as increase in cAMP level incubated for 30 mins by immunoassay
50013812	5	ChEMBL_2110681 (CHEMBL4819531)	Agonist activity at human beta1 adrenoceptor expressed in CHO cells assessed as increase in cAMP level incubated for 30 mins by immunoassay
50013812	6	ChEMBL_2110682 (CHEMBL4819532)	Inhibition of 3H]CGP12177 binding to human beta2 adrenoceptor expressed in sf9 cell membranes incubated for 60 mins by scintillation counting method
50013812	7	ChEMBL_2110683 (CHEMBL4819533)	Inhibition of 3H]CGP12177 binding to human beta1 adrenoceptor expressed in sf9 cell membranes incubated for 60 mins by scintillation counting method
50013812	8	ChEMBL_2110684 (CHEMBL4819534)	Binding affinity to beta2 adrenoceptor (unknown origin)
50013812	9	ChEMBL_2110685 (CHEMBL4819535)	Agonist activity at beta2 adrenoceptor in human A431 cells measured for 24 hrs
50013812	10	ChEMBL_2110687 (CHEMBL4819537)	Agonist activity at beta2 adrenoceptor (unknown origin) expressed in CHO-K1 cells harboring Galpha15 assessed as induction of calcium current by FLIPRtetra method
50013812	11	ChEMBL_2110688 (CHEMBL4819538)	Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed as increase in cAMP accumulation measured after 60 mins by HTRF assay
50013812	12	ChEMBL_2110689 (CHEMBL4819539)	Agonist activity at human beta1 adrenoceptor expressed in HEK293 cells assessed as increase in cAMP accumulation measured after 60 mins by HTRF assay
50013812	13	ChEMBL_2110690 (CHEMBL4819540)	Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cells assessed as increase in isoproterenol-induced cAMP production preincubated for 20 mins followed by isoproterenol stimulation and measured after 5 mins by chemiluminescence-based assay
50013812	14	ChEMBL_2110691 (CHEMBL4819541)	Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cells co-expressing V2 receptor assessed as induction of beta-arrestin 2 recruitment preincubated for 20 mins followed by beta2 receptor agonist and measured after 6 hrs by Bright-Glo reagent based chemiluminescence assay
50013812	15	ChEMBL_2110692 (CHEMBL4819542)	Agonist activity at beta2 adrenoceptor in HEK293 cells co-expressing V2 receptor assessed as increase in cAMP accumulation measured after 30 mins by HTRF assay
50013812	16	ChEMBL_2110693 (CHEMBL4819543)	Agonist activity at human beta2 adrenoceptor expressed in CHO cells harboring beta2-beta-arr assessed as induction of beta-arrestin 2 recruitment using beta-galactosidase as substrate preincubated for 90 mins followed by substrate addition and measured after 60 mins by luminescence assay
50013812	17	ChEMBL_2110695 (CHEMBL4819545)	Agonist activity at beta2 adrenoceptor (unknown origin) expressed in sf9 cells assessed as reversal of norepinephrine inhibition of [3H]DHAP binding to beta2 adrenoceptor by radioligand binding assay
50013812	18	ChEMBL_2110696 (CHEMBL4819546)	Agonist activity at beta1 adrenoceptor (unknown origin)
50013812	19	ChEMBL_2110699 (CHEMBL4819549)	Agonist activity at beta2 adrenoceptor human bronchi assessed as induction of maximum relaxation
50013813	1	ChEMBL_2110700 (CHEMBL4819550)	Inhibition of recombinant human PDE4D (83 to 416 residues) expressed in Escherichia coli BL21 (DE3) assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	2	ChEMBL_2110712 (CHEMBL4819562)	Inhibition of recombinant human PDE1A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	3	ChEMBL_2110713 (CHEMBL4819563)	Inhibition of recombinant human PDE2A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	4	ChEMBL_2110714 (CHEMBL4819564)	Inhibition of recombinant human PDE3A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	5	ChEMBL_2110716 (CHEMBL4819566)	Inhibition of recombinant human PDE5A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	6	ChEMBL_2110717 (CHEMBL4819567)	Inhibition of recombinant human PDE6C assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	7	ChEMBL_2110718 (CHEMBL4819568)	Inhibition of recombinant human PDE7A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	8	ChEMBL_2110719 (CHEMBL4819569)	Inhibition of recombinant human PDE8A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	9	ChEMBL_2110720 (CHEMBL4819570)	Inhibition of recombinant human PDE9A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013813	10	ChEMBL_2110722 (CHEMBL4819572)	Inhibition of recombinant human PDE11A assessed as hydrolysis of [3H]-cAMP measured after 30 mins by Scintillation proximity assay
50013814	1	ChEMBL_2110745 (CHEMBL4819595)	Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of Hoechst33342 efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	2	ChEMBL_2110746 (CHEMBL4819596)	Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	3	ChEMBL_2110747 (CHEMBL4819597)	Inhibition of human ABCG2 transfected in human HEK293 cells assessed as inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	4	ChEMBL_2110751 (CHEMBL4819601)	Non-competitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	5	ChEMBL_2110752 (CHEMBL4819602)	Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	6	ChEMBL_2110753 (CHEMBL4819603)	Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of Hoechst33342 efflux measured after 30 mins by FACS Calibur cytometric analysis
50013814	7	ChEMBL_2110758 (CHEMBL4819608)	Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FACS Calibur cytometric analysis
50013817	1	ChEMBL_2110759 (CHEMBL4819609)	Inhibition of recombinant NAMPT (unknown origin) using nicotinamide and pyrophosphate as substrate incubated for 60 mins and measured for 30 mins at 5 mins interval by colorimetric assay
50013817	2	ChEMBL_2110760 (CHEMBL4819610)	Inhibition of N-terminal GST-tagged human recombinant EGFR cytoplasmic domain (668 to 1210 residues) expressed in baculovirus expression system by Z'-LYTE kinase assay
50013817	3	ChEMBL_2110761 (CHEMBL4819611)	Inhibition of N-terminal GST-tagged human recombinant EGFR T790M mutant (668 to 1210 residues) expressed in baculovirus expression system by Z'-LYTE kinase assay
50013817	4	ChEMBL_2110762 (CHEMBL4819612)	Inhibition of N-terminal GST-tagged human recombinant EGFR L861Q mutant (668 to 1210 residues) expressed in baculovirus expression system by Z'-LYTE kinase assay
50013817	5	ChEMBL_2110763 (CHEMBL4819613)	Inhibition of N-terminal GST-tagged human recombinant EGFR L858R mutant (668 to 1210 residues) expressed in baculovirus expression system by Z'-LYTE kinase assay
50013818	1	ChEMBL_2110785 (CHEMBL4819635)	Inhibition of recombinant Escherichia coli LeuRS assessed as inhibition of 14C-radiolabelled leucine transfer to tRNA leucine preincubated for 10 mins followed by addition of ATP and measured after 4 mins by Scintillation counting method
50013819	1	ChEMBL_2110865 (CHEMBL4819715)	Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed competition binding based Kinomescan method
50013819	2	ChEMBL_2110866 (CHEMBL4819716)	Inhibition of recombinant full-length human TTK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay relative to control
50013819	3	ChEMBL_2110868 (CHEMBL4819718)	Binding affinity to wild-type human partial length PIK3CD (R108 to Q1044 residues) expressed in HEK293 cells by active site-directed competition binding based Kinomescan method
50013819	4	ChEMBL_2110869 (CHEMBL4819719)	Binding affinity to wild-type human partial length DAPK3 (M1 to A277 residues) expressed in bacterial expression system by measuring active site-directed competition binding based Kinomescan method
50013819	5	ChEMBL_2110870 (CHEMBL4819720)	Binding affinity to wild-type human full length MARK3 (M1 to L729 residues) expressed in bacterial expression system by measuring active site-directed competition binding based Kinomescan method
50013819	6	ChEMBL_2110871 (CHEMBL4819721)	Binding affinity to human partial length PIK3C2G (M1 to I1446 residues) expressed in mammalian expression system by active site-directed competition binding based Kinomescan method
50013819	7	ChEMBL_2110872 (CHEMBL4819722)	Binding affinity to wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by active site-directed competition binding based Kinomescan method
50013820	1	ChEMBL_2110958 (CHEMBL4819808)	Agonist activity at human RORgammat LBD expressed in HEK293T cells assessed increase in Gal4 reporter gene transcription measured after 16 to 20 hrs by luciferase reporter gene assay
50013820	2	ChEMBL_2110961 (CHEMBL4819811)	Agonist activity at APC-labelled RORgammat (unknown origin) assessed as biotinylated SRC recruitment measured after 1 hr by dual FRET assay
50013820	3	ChEMBL_2110962 (CHEMBL4819812)	Inverse agonist activity at human RORgammat LBD expressed in HEK293T cells assessed inhibition of Gal4 reporter gene transcription measured after 16 to 20 hrs by luciferase reporter gene assay
50013820	4	ChEMBL_2110967 (CHEMBL4819817)	Inverse agonist activity at APC-labelled RORgammat (unknown origin) assessed as inhibition of biotinylated SRC recruitment measured after 1 hr by dual FRET assay
50013821	1	ChEMBL_2110970 (CHEMBL4819820)	Inhibition of PD1 (unknown origin)/PDL1 (unknown origin) protein-protein interaction by HTRF assay
50013821	2	ChEMBL_2110972 (CHEMBL4819822)	Inhibition of PD-1/PD-L1 interaction in CHO cells expressing PD-Ll/TCR cocultured with human Jurkat cells expressing PD-1 assessed as activation of effector Jurkat T cells incubated for 6 hrs by luciferase reporter gene assay
50013822	1	ChEMBL_2111006 (CHEMBL4819856)	Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by flourescence quenching assay
50013822	2	ChEMBL_2111007 (CHEMBL4819857)	Binding affinity to recombinant human N-terminal His-tagged Nur77-LBD (367 to 598 residues) expressed in Escherichia coli BL21 DE3 by surface plasmon resonance assay
50013823	1	ChEMBL_2111056 (CHEMBL4819906)	Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK or histone H1 as substrate incubated for 2 hrs in presence of [gamma-33P]ATP by radioactive filter binding assay
50013825	1	ChEMBL_2111116 (CHEMBL4819966)	Inhibition of recombinant human His-tagged VEGFR2 expressed in Baculovirus expression system using ADP-Glo as substrate measured after 30 mins in presence of ATP by ADP-Glo kinase assay
50013827	1	ChEMBL_2111125 (CHEMBL4819975)	Inhibition of human BTK using poly (Glu,Tyr) as substrate in presence of ATP and Ci(gamma33-P) ATP measured by microplate reader assay
50013828	1	ChEMBL_2111152 (CHEMBL4820002)	Antagonist activity at recombinant 6His-tagged thrombin cleavage site of FimH Lectin domain expressed in Escherichia coli HM125 assessed as dissociation constant incubated for 24 hrs in presence of FITC-labeled tracer by competitive fluorescence polarization assay
50013830	1	ChEMBL_2111169 (CHEMBL4820019)	Inhibition of HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into cDNA incubated for 1 hr with DIG-dUTP, biotin-dUTP and dTTP followed by transferring onto streptavidin-coated plate and measured after 1 hr by ELISA
50013831	1	ChEMBL_2111173 (CHEMBL4820023)	Inhibition of human ERAP2 assessed as hydrolysis of KSIINFEKL to SIINFEKL measured after 2 hrs by LC-MS analysis
50013831	2	ChEMBL_2111174 (CHEMBL4820024)	Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus infected Hi-5 insect cells using R-AMC as substrate preincubated for 30 mins followed by substrate addition and measured every 3 mins for 1 hr by flourescence assay
50013831	3	ChEMBL_2111177 (CHEMBL4820027)	Inhibition of recombinant human IRAP expressed in HEK293 cells using L-AMC as substrate preincubated for 30 mins followed by substrate addition measured every 3 mins for 1 hr by flourescence assay
50013831	4	ChEMBL_2111180 (CHEMBL4820030)	Inhibition of human ERAP2
50013831	5	ChEMBL_2111181 (CHEMBL4820031)	Inhibition of human ERAP1
50013832	1	ChEMBL_2111184 (CHEMBL4820034)	Agonist activity at FXR-LBD (unknown origin) assessed by ligand binding ability incubated for 3 hrs in absence of light measured by TR-FRET Coactivator assay
50013833	1	ChEMBL_2111208 (CHEMBL4820058)	Inhibition of N-terminal GST-tagged recombinant human full length ASK1 expressed in baculovirus-infected Sf21 cells using STK-Substrate-3 biotin as substrate in presence of ATP measured after 2 hrs by HTRF assay
50013833	2	ChEMBL_2111214 (CHEMBL4820064)	Inhibition of ASK1 (unknown origin)
50013833	3	ChEMBL_2111243 (CHEMBL4820093)	Inhibition of human recombinant ASK1 (654 to 971 residues) expressed in baculovirus-infected Sf21 cells using GST-fused MAP2K7 as substrate in presence of ATP by ELISA
50013835	1	ChEMBL_2111334 (CHEMBL4820184)	Inhibition of human CYP19A measured every 1 min for 60 mins by flourimetric assay
50013836	1	ChEMBL_2111356 (CHEMBL4820206)	Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by MTT assay
50013836	2	ChEMBL_2111357 (CHEMBL4820207)	Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM measured after 72 hrs by MTT assay
50013836	3	ChEMBL_2111358 (CHEMBL4820208)	Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by MTT assay
50013836	4	ChEMBL_2111359 (CHEMBL4820209)	Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM measured after 72 hrs by MTT assay
50013836	5	ChEMBL_2111360 (CHEMBL4820210)	Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured after 72 hrs by MTT assay
50013836	6	ChEMBL_2111361 (CHEMBL4820211)	Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 10 uM measured after 72 hrs by MTT assay
50013836	7	ChEMBL_2111362 (CHEMBL4820212)	Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured after 72 hrs by MTT assay
50013836	8	ChEMBL_2111363 (CHEMBL4820213)	Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity by measuring vincristine IC50 at 10 uM measured after 72 hrs by MTT assay
50013837	1	ChEMBL_2111376 (CHEMBL4820226)	Inhibition of human MAO-A preincubated for 5 mins followed by addition of Kynuramine substrate and measured after 30 mins by plate reader method
50013837	2	ChEMBL_2111377 (CHEMBL4820227)	Inhibition of human MAO-B preincubated for 5 mins followed by addition of Kynuramine substrate and measured after 30 mins by plate reader method
50013841	1	ChEMBL_2111407 (CHEMBL4820257)	Inhibition of human full length p110alpha (1 to 1068 residues) expressed in baculovirus-infected Sf21 cells by ADP-Hunter Plus assay
50013841	2	ChEMBL_2111408 (CHEMBL4820258)	Inhibition of recombinant human GST tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system measured by LanthaScreen assay
50013841	3	ChEMBL_2111416 (CHEMBL4820266)	Inhibition of CYP1A2 (unknown origin) using Luciferin-ME as substrate at 10 uM preincubated with enzyme and substrate for 5 mins followed by addition of NADPH regeneration system and measured after 60 mins by luminescence method
50013841	4	ChEMBL_2111417 (CHEMBL4820267)	Inhibition of CYP3A4 (unknown origin) using Luciferin-PPXE as substrate at 10 uM preincubated with enzyme and substrate for 5 mins followed by addition of NADPH regeneration system and measured after 60 mins by luminescence method
50013841	5	ChEMBL_2111418 (CHEMBL4820268)	Inhibition of CYP2C9 (unknown origin) using Luciferin-H as substrate at 10 uM preincubated with enzyme and substrate for 5 mins followed by addition of NADPH regeneration system and measured after 60 mins by luminescence method
50013841	6	ChEMBL_2111419 (CHEMBL4820269)	Inhibition of CYP2C19 (unknown origin) using LuciferinH-EG as substrate at 10 uM preincubated with enzyme and substrate for 5 mins followed by addition of NADPH regeneration system and measured after 60 mins by luminescence method
50013841	7	ChEMBL_2111420 (CHEMBL4820270)	Inhibition of CYP2D6 (unknown origin) using Luciferin-ME-EG as substrate at 10 uM preincubated with enzyme and substrate for 5 mins followed by addition of NADPH regeneration system and measured after 60 mins by luminescence method
50013841	8	ChEMBL_2111439 (CHEMBL4820289)	Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay
50013841	9	ChEMBL_2111440 (CHEMBL4820290)	Inhibition of human p110beta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay
50013841	10	ChEMBL_2111441 (CHEMBL4820291)	Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay
50013841	11	ChEMBL_2111442 (CHEMBL4820292)	Inhibition of human p110gamma using PIP2 as substrate in presence of ATP measured by HTRF assay
50013841	12	ChEMBL_2111446 (CHEMBL4820296)	Inhibition of p110alpha H1047R mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid kinase assay
50013841	13	ChEMBL_2111448 (CHEMBL4820298)	Inhibition of p110alpha E542K mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid kinase assay
50013841	14	ChEMBL_2111467 (CHEMBL4820317)	Inhibition of human ERG by fluorescence polarization assay
50013845	1	ChEMBL_2111470 (CHEMBL4820320)	Positive allosteric modulator activity at human CB2R expressed in CHO-K1 cells assessed as potentiation of CP55940-stimulated inhibition of forskolin-induced cAMP accumulation measured after 90 mins by HitHunter cAMP assay
50013845	2	ChEMBL_2111476 (CHEMBL4820326)	Positive allosteric modulator activity at human CB2R expressed in CHO-K1 cell membrane assessed as CP55940 EC50 for [35S]GTPgammaS binding at 1 nM measured after 90 mins by liquid scintillation counting analysis (Rvb = 1.9 nM)
50013845	3	ChEMBL_2111477 (CHEMBL4820327)	Positive allosteric modulator activity at human CB2R expressed in CHO-K1 cell membrane assessed as CP55940 EC50 for [35S]GTPgammaS binding at 100 nM measured after 90 mins by liquid scintillation counting analysis (Rvb = 1.9 nM)
50013845	4	ChEMBL_2111478 (CHEMBL4820328)	Positive allosteric modulator activity at human CB2R expressed in CHO-K1 cells assessed as potentiation of CP55940-stimulated beta-arrestin2 recruitment measured after 90 mins by PathHunter assay
50013848	1	ChEMBL_2111612 (CHEMBL4820462)	Displacement of [3H]methyltrienolone from wild-type androgen receptor in human LNCaP cells incubated for 24 hrs by scintillation counting analysis
50013848	2	ChEMBL_2111613 (CHEMBL4820463)	Displacement of [3H]dexamethasone from glucocorticoid receptor in human IM-9 cells incubated for 6 hrs by scintillation counting analysis
50013848	3	ChEMBL_2111614 (CHEMBL4820464)	Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation analysis
50013848	4	ChEMBL_2111615 (CHEMBL4820465)	Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysis
50013848	5	ChEMBL_2111616 (CHEMBL4820466)	Antagonist activity at VP16-AR wild-type (unknown origin) transfected in human HepG2 cells cotransfected with ARE-LUC incubated for 48 hrs in presence of AR agonist R1881 by steady-glo luciferase reporter gene assay
50013848	6	ChEMBL_2111619 (CHEMBL4820469)	Agonist activity at VP16-AR F877L mutant (unknown origin) transfected in human HepG2 cells cotransfected with ARE-LUC incubated for 48 hrs by steady-glo luciferase reporter gene assay
50013848	7	ChEMBL_2111624 (CHEMBL4820474)	Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presence of AR agonist R1881 by steady-glo luciferase reporter gene assay
50013848	8	ChEMBL_2111625 (CHEMBL4820475)	Antagonist activity at AR wild-type (unknown origin) transfected in human LNCAP cells cotransfected with ARE-LUC incubated for 20 to 24 hrs in presence of AR agonist R1881 by steady-glo luciferase reporter gene assay
50013849	1	ChEMBL_2111684 (CHEMBL4820534)	Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis
50013850	1	ChEMBL_2111779 (CHEMBL4820629)	Inhibition of recombinant human MAOA using kynuramine as substrate measured for 30 mins by fluorescence spectrophotometric assay
50013850	2	ChEMBL_2111780 (CHEMBL4820630)	Inhibition of recombinant human MAOB using kynuramine as substrate measured for 30 mins by fluorescence spectrophotometric assay
50013852	1	ChEMBL_2111788 (CHEMBL4820638)	Inhibition of VEGFR2 (unknown origin) incubated for 10 mins followed by kinase substrate addition and measured after 30 mins by caliper mobility shift assay
50013854	1	ChEMBL_2111873 (CHEMBL4820723)	Inhibition of recombinant human full length CDK9/Cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013854	2	ChEMBL_2111875 (CHEMBL4820725)	Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013854	3	ChEMBL_2111879 (CHEMBL4820729)	Inhibition of recombinant human full length CDK1/Cyclin B using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013854	4	ChEMBL_2111880 (CHEMBL4820730)	Inhibition of recombinant human full length CDK7/Cyclin H using peptide as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50013855	1	ChEMBL_2111954 (CHEMBL4820804)	Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luciferase reporter gene assay
50013855	2	ChEMBL_2111955 (CHEMBL4820805)	Inverse agonist activity at RORgammat in CD3 and CD28-stimulated human whole blood assessed as suppression of IL17 preincubated for 1 hr followed by CD3 and CD28 stimulation measured after 20 hrs by AlphaLISA method
50013855	3	ChEMBL_2111966 (CHEMBL4820816)	Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of CD3/CD28/IL-1/IL-23-induced IL-17A production measured after 24 hrs by AlphaLISA assay
50013855	4	ChEMBL_2111967 (CHEMBL4820817)	Inverse agonist activity at Gal4-fused RORalpha (unknown origin)
50013855	5	ChEMBL_2111968 (CHEMBL4820818)	Inverse agonist activity at Gal4-fused RORbeta (unknown origin)
50013855	6	ChEMBL_2111969 (CHEMBL4820819)	Inverse agonist activity at PXR (unknown origin)
50013855	7	ChEMBL_2111970 (CHEMBL4820820)	Inverse agonist activity at LXRalpha (unknown origin)
50013855	8	ChEMBL_2111971 (CHEMBL4820821)	Inverse agonist activity at LXRbeta (unknown origin)
50013855	9	ChEMBL_2111972 (CHEMBL4820822)	Inhibition of human ERG by patch-clamp assay
50013855	10	ChEMBL_2111975 (CHEMBL4820825)	Inhibition of CYP1A2 (unknown origin)
50013855	11	ChEMBL_2111976 (CHEMBL4820826)	Inhibition of CYP2D6 (unknown origin)
50013855	12	ChEMBL_2111977 (CHEMBL4820827)	Inhibition of CYP2C9 (unknown origin)
50013855	13	ChEMBL_2111978 (CHEMBL4820828)	Inhibition of CYP3A4 (unknown origin)
50013855	14	ChEMBL_2111979 (CHEMBL4820829)	Inhibition of CYP2C8 (unknown origin)
50013855	15	ChEMBL_2111980 (CHEMBL4820830)	Inhibition of CYP2C19 (unknown origin)
50013859	1	ChEMBL_2112031 (CHEMBL4820881)	Antagonist activity at human glycine receptor subunit alpha-1 expressed in human tsA201 cells assessed as reduction in glycine-induced response incubated for 30 mins by fluorescence-based FLIPR membrane potential blue assay
50013859	2	ChEMBL_2112032 (CHEMBL4820882)	Antagonist activity at human glycine receptor subunit alpha-1beta expressed in human tsA201 cells assessed as reduction in glycine-induced response incubated for 30 mins by fluorescence-based FLIPR membrane potential blue assay
50013859	3	ChEMBL_2112033 (CHEMBL4820883)	Antagonist activity at human glycine receptor subunit alpha-1 expressed in HEK293 cells assessed as reduction in glycine-induced currents by whole-cell patch-clamp assay
50013859	4	ChEMBL_2112034 (CHEMBL4820884)	Antagonist activity at human glycine receptor subunit alpha-1beta expressed in HEK293 cells assessed as reduction in glycine-induced currents by whole-cell patch-clamp assay
50013859	5	ChEMBL_2112035 (CHEMBL4820885)	Displacement of [3H]strychnine from human glycine receptor subunit alpha-1 expressed in HEK293 cell membranes preincubated for 30 mins followed by [3H]strychnine addition and measured after 30 mins by liquid scintillation counting method
50013859	6	ChEMBL_2112036 (CHEMBL4820886)	Antagonist activity at human glycine receptor subunit alpha-1 assessed as inhibition of glycine-induced current measured at the onset of compound application by patch-clamp assay
50013859	7	ChEMBL_2112037 (CHEMBL4820887)	Antagonist activity at human glycine receptor subunit alpha-1 assessed as inhibition of glycine-induced current measured at the later state of compound application by patch-clamp assay
50013860	1	ChEMBL_2112056 (CHEMBL4820906)	Antagonist activity at human TLR2 expressed in HEK-Blue cells assessed as inhibition of Pam3CSK4-induced TLR2/TLR1 activation by measuring decrease in NFkappaB activation pretreated for 2 hrs followed by incubation with agonist for 18 hrs by SEAP assay
50013860	2	ChEMBL_2112057 (CHEMBL4820907)	Antagonist activity at human TLR2 expressed in HEK-Blue cells assessed as inhibition of Pam2CSK4-induced TLR2/TLR6 activation by measuring decrease in NFkappaB activation pretreated for 2 hrs followed by incubation with agonist for 18 hrs by SEAP assay
50013860	3	ChEMBL_2112058 (CHEMBL4820908)	Inhibition of TNFalpha (unknown origin) in HEK-Blue-hTLR2 cells assessed as inhibition of TNFalpha-induced NFkappaB activation pretreated for 2 hrs followed by incubation with TNFalpha for 18 hrs by SEAP assay
50013861	1	ChEMBL_2112072 (CHEMBL4820922)	Binding affinity to recombinant human HSP90alpha by surface plasmon resonance analysis
50013864	1	ChEMBL_2112107 (CHEMBL4820957)	Antagonist activity at human AM2 expressed in 1321N1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by forskolin addition in presence of IBMX and measured after 15 mins by TR-FRET assay
50013864	2	ChEMBL_2112109 (CHEMBL4820959)	Antagonist activity at human CGRP-2 (8 to 37 residues) expressed in 1321N1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins followed by forskolin addition in presence of IBMX and measured after 15 mins by TR-FRET assay
50013865	1	ChEMBL_2112153 (CHEMBL4821003)	Agonist activity at human APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 hr by TR-FRET assay
50013865	2	ChEMBL_2112154 (CHEMBL4821004)	Agonist activity at rat APJ receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 1 hr by TR-FRET assay
50013865	3	ChEMBL_2112157 (CHEMBL4821007)	Displacement of [3H]Apelin-13 from human APJ receptor stably expressed in human HEK293 cell membrane incubated for 120 mins by TopCount scintillation plate reader analysis
50013865	4	ChEMBL_2112160 (CHEMBL4821010)	Agonist activity at human APJ receptor stably expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter assay
50013869	1	ChEMBL_2112199 (CHEMBL4821049)	Inhibition of human topoisomerase-2 alpha in human A498 cells assessed as decrease in relaxation of supercoiled DNA at 10 uM
50013870	1	ChEMBL_2112202 (CHEMBL4821052)	Binding affinity to dopamine D2 receptor (unknown origin)
50013870	2	ChEMBL_2112203 (CHEMBL4821053)	Binding affinity to dopamine D3 receptor (unknown origin)
50013870	3	ChEMBL_2112204 (CHEMBL4821054)	Binding affinity to 5-HT1A receptor (unknown origin)
50013870	4	ChEMBL_2112205 (CHEMBL4821055)	Binding affinity to 5-HT2A receptor (unknown origin)
50013870	5	ChEMBL_2112206 (CHEMBL4821056)	Binding affinity to 5-HT2C receptor (unknown origin)
50013870	6	ChEMBL_2112207 (CHEMBL4821057)	Binding affinity to 5-HT6 receptor (unknown origin)
50013870	7	ChEMBL_2112208 (CHEMBL4821058)	Binding affinity to alpha1 adrenoceptor (unknown origin)
50013870	8	ChEMBL_2112209 (CHEMBL4821059)	Binding affinity to histamine H1 receptor (unknown origin)
50013870	9	ChEMBL_2112210 (CHEMBL4821060)	Binding affinity to histamine H3 receptor (unknown origin)
50013870	10	ChEMBL_2112211 (CHEMBL4821061)	Inhibition of human ERG by automated patch method relative to control
50013870	11	ChEMBL_2112236 (CHEMBL4821086)	Antagonist activity at D2 receptor (unknown origin)
50013870	12	ChEMBL_2112237 (CHEMBL4821087)	Antagonist activity at D3 receptor (unknown origin)
50013870	13	ChEMBL_2112238 (CHEMBL4821088)	Antagonist activity at 5-HT1A receptor (unknown origin)
50013870	14	ChEMBL_2112239 (CHEMBL4821089)	Antagonist activity at 5-HT2A receptor (unknown origin)
50013870	15	ChEMBL_2112240 (CHEMBL4821090)	Antagonist activity at histamine H3 receptor (unknown origin)
50013870	16	ChEMBL_2112241 (CHEMBL4821091)	Antagonist activity at 5-HT6 receptor (unknown origin)
50013872	1	ChEMBL_2112263 (CHEMBL4821113)	Inhibition of IDO1 (unknown origin)
50013873	1	ChEMBL_2112322 (CHEMBL4821172)	Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay
50013873	2	ChEMBL_2112323 (CHEMBL4821173)	Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate incubated for 2 hrs by FRET assay
50013873	3	ChEMBL_2112328 (CHEMBL4821178)	Inhibition of BACE1 in human SKNBE2 cells expressing wild type APP assessed as reduction in amyloid beta 42 level incubated for 18 hrs by AlphaLISA Assay
50013873	4	ChEMBL_2112329 (CHEMBL4821179)	Inhibition of BACE2 in mouse MIN6 cells expressing wild type TMEM27 assessed as reduction in TMEM27 secretion by MSD electrochemiluminescence assay
50013873	5	ChEMBL_2112331 (CHEMBL4821181)	Displacement of [3H]-JNJ962 from BACE1 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting analysis
50013873	6	ChEMBL_2112332 (CHEMBL4821182)	Displacement of [3H]-JNJ962 from BACE2 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting analysis
50013874	1	ChEMBL_2112343 (CHEMBL4821193)	Agonist activity at human GABAB expressed in HEK293T cells co-transfected with human CaV2.2 channel assessed as inhibition of CaV2.2-mediated Ba2+ peak-current amplitude at -80 to 10 mV holding potential after 72 hrs by whole cell patch clamp assay
50013876	1	ChEMBL_2112356 (CHEMBL4821206)	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by absorbance based analysis
50013876	2	ChEMBL_2112357 (CHEMBL4821207)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate by absorbance based analysis
50013881	1	ChEMBL_2112358 (CHEMBL4821208)	Inhibition of ALDH1A1 (unknown origin)
50013881	2	ChEMBL_2112359 (CHEMBL4821209)	Inhibition of ALDH2 (unknown origin)
50013884	1	ChEMBL_2112361 (CHEMBL4821211)	Inhibition of FAK (unknown origin)
50013887	1	ChEMBL_2112388 (CHEMBL4821238)	Inhibition of EGFR (unknown origin)
50013888	1	ChEMBL_2112524 (CHEMBL4821374)	Inhibition of MRP1 in human COR-L23/R cells assessed reduction in tritiated daunomycin efflux incubated for 2 hrs by radioactivity based assay
50013888	2	ChEMBL_2112526 (CHEMBL4821376)	Inhibition of ABCC1 mediated etoposide resistant in human 2008 cells
50013889	1	ChEMBL_2112546 (CHEMBL4821396)	Inhibition of p97 (unknown origin) incubated for 60 mins by ADP-Glo assay
50013890	1	ChEMBL_2112549 (CHEMBL4821399)	Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50013890	2	ChEMBL_2112551 (CHEMBL4821401)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50013890	3	ChEMBL_2112553 (CHEMBL4821403)	Inhibition of equine serum BuChE using butyrylcholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50013890	4	ChEMBL_2112558 (CHEMBL4821408)	Competitive inhibition of porcine liver carboxylesterase by double reciprocal Lineweaver-Burk plot analysis
50013890	5	ChEMBL_2112560 (CHEMBL4821410)	Competitive inhibition of human erythrocyte AChE by double reciprocal Lineweaver-Burk plot analysis
50013890	6	ChEMBL_2112562 (CHEMBL4821412)	Competitive inhibition of equine serum BuChE by double reciprocal Lineweaver-Burk plot analysis
50013890	7	ChEMBL_2112564 (CHEMBL4821414)	Inhibition of human recombinant CES1 expressed in baculovirus infected BTI insect cells using 4-NPA as substrate by spectrophotometric analysis
50013890	8	ChEMBL_2112565 (CHEMBL4821415)	Inhibition of human recombinant CES2 expressed in mouse NSO cells using 4-NPA as substrate by spectrophotometric analysis
50013892	1	ChEMBL_2112573 (CHEMBL4821423)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50013892	2	ChEMBL_2112575 (CHEMBL4821425)	Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50013892	3	ChEMBL_2112577 (CHEMBL4821427)	Inhibition of human BuchE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50013892	4	ChEMBL_2112579 (CHEMBL4821429)	Inhibition of recombinant human BACE1 expressed in baculovirus expression system using Rh-EVNLDAEFK-quencher as substrate incubated for 60 mins by FRET assay
50013892	5	ChEMBL_2112582 (CHEMBL4821432)	Inhibition of mouse GAT1 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins
50013892	6	ChEMBL_2112584 (CHEMBL4821434)	Inhibition of mouse GAT2 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins
50013892	7	ChEMBL_2112586 (CHEMBL4821436)	Inhibition of mouse GAT3 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins
50013892	8	ChEMBL_2112588 (CHEMBL4821438)	Inhibition of mouse GAT4 expressed in HEK293 cell line assessed as reduction in [3H]GABA uptake incubated for 10 mins
50013892	9	ChEMBL_2112589 (CHEMBL4821439)	Inhibition of human GAT3 expressed in COS-7 cells assessed as reduction in [2H6]GABA uptake preincubated for 25 mins followed by [2H6]GABA addition and measured after 6 mins by LC-MS/MS analysis
50013892	10	ChEMBL_2112591 (CHEMBL4821441)	Inhibition of NO711 binding to mouse GAT1 expressed in HEK cell membranes incubated for 40 mins in presence of NO711 by LC-ESI-MS/MS analysis
50013894	1	ChEMBL_2112601 (CHEMBL4821451)	Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition measured for every 30 sec by spectrophotometric analysis
50013894	2	ChEMBL_2112603 (CHEMBL4821453)	Mixed type inhibition of bovine milk xanthine oxidase assessed as inhibitory constant using xanthine as substrate preincubated for 15 mins followed by substrate addition measured for every 30 sec by spectrophotometric analysis
50013895	1	ChEMBL_2112618 (CHEMBL4821468)	Inhibition of amyloid beta (1 to 42 ) (unknown origin) self aggregation measured after 24 hrs by thioflavin-T fluorescence method
50013897	1	ChEMBL_2112622 (CHEMBL4821472)	Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cells
50013897	2	ChEMBL_2112623 (CHEMBL4821473)	Displacement of [3H]-5CT from human 5-HT7R expressed in human HEK293 cells
50013897	3	ChEMBL_2112624 (CHEMBL4821474)	Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells
50013897	4	ChEMBL_2112625 (CHEMBL4821475)	Binding affinity to human adrenergic receptor alpha1
50013897	5	ChEMBL_2112626 (CHEMBL4821476)	Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cells
50013897	6	ChEMBL_2112627 (CHEMBL4821477)	Binding affinity to human D3R
50013897	7	ChEMBL_2112628 (CHEMBL4821478)	Binding affinity to human D4R
50013897	8	ChEMBL_2112629 (CHEMBL4821479)	Binding affinity to human D5R
50013897	9	ChEMBL_2112630 (CHEMBL4821480)	Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO cells
50013897	10	ChEMBL_2112631 (CHEMBL4821481)	Binding affinity to human 5-HT2C
50013897	11	ChEMBL_2112632 (CHEMBL4821482)	Binding affinity to human D1R
50013897	12	ChEMBL_2112633 (CHEMBL4821483)	Displacement of [3H]-5-OH-DPAT from Wistar rat frontal region 5-HT1AR incubated for 30 mins
50013897	13	ChEMBL_2112634 (CHEMBL4821484)	Displacement of [3H]-ketanserin from Wistar rat frontal region 5-HT2AR incubated for 30 mins
50013897	14	ChEMBL_2112635 (CHEMBL4821485)	Displacement of [3H]-spiperone from DRD2 in rat striatum incubated for 45 mins by liquid scintillation counting
50013899	1	ChEMBL_2112636 (CHEMBL4821486)	Inhibition of HDAC in human HeLa nuclear extracts using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based assay
50013899	2	ChEMBL_2112637 (CHEMBL4821487)	Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 cells using Boc Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorogenic assay
50013899	3	ChEMBL_2112638 (CHEMBL4821488)	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorogenic assay
50013899	4	ChEMBL_2112639 (CHEMBL4821489)	Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorogenic assay
50013899	5	ChEMBL_2112640 (CHEMBL4821490)	Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus-infected Sf9 cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based assay
50013899	6	ChEMBL_2112643 (CHEMBL4821493)	Inhibition of HDAC1 (unknown origin)
50013899	7	ChEMBL_2112644 (CHEMBL4821494)	Inhibition of HDAC2 (unknown origin)
50013899	8	ChEMBL_2112645 (CHEMBL4821495)	Inhibition of HDAC3 (unknown origin)
50013900	1	ChEMBL_2112707 (CHEMBL4821557)	Displacement of Bak BH3 domain peptide from human Bax by competitive fluorescence polarization assay
50013902	1	ChEMBL_2112712 (CHEMBL4821562)	Inhibition of N-terminal GST-fused human recombinant full length ZAP70 (1 to 619 residues) expressed in baculovirus-infected Sf21 cells using FAM-22 peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition for 30 mins in presence of ATP by caliper mobility shift assay
50013902	2	ChEMBL_2112713 (CHEMBL4821563)	Inhibition of N-terminal GST-fused human recombinant full length SYK (1 to 635 residues) expressed in baculovirus-infected Sf21 cells using FAM-22 peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition for 30 mins in presence of ATP by caliper mobility shift assay
50013902	3	ChEMBL_2112715 (CHEMBL4821565)	Inhibition of ABL (unknown origin)
50013902	4	ChEMBL_2112716 (CHEMBL4821566)	Inhibition of BTK (unknown origin)
50013902	5	ChEMBL_2112717 (CHEMBL4821567)	Inhibition of HCK (unknown origin)
50013902	6	ChEMBL_2112718 (CHEMBL4821568)	Inhibition of ITK (unknown origin)
50013902	7	ChEMBL_2112719 (CHEMBL4821569)	Inhibition of JAK1 (unknown origin)
50013902	8	ChEMBL_2112720 (CHEMBL4821570)	Inhibition of JAK2 (unknown origin)
50013902	9	ChEMBL_2112721 (CHEMBL4821571)	Inhibition of JAK3 (unknown origin)
50013902	10	ChEMBL_2112722 (CHEMBL4821572)	Inhibition of LCK (unknown origin)
50013902	11	ChEMBL_2112723 (CHEMBL4821573)	Inhibition of SRC (unknown origin)
50013902	12	ChEMBL_2112724 (CHEMBL4821574)	Inhibition of TYK2 (unknown origin)
50013903	1	ChEMBL_2112736 (CHEMBL4821586)	Binding affinity to recombinant His-tagged Cbl-b (unknown origin) (39 to 368 residues) expressed in Escherichia coli BL21 (DE3) using FITC-DGpYPEPA-NH2 as substrate incubated for 30 mins by fluorescence polarization assay
50013903	2	ChEMBL_2112737 (CHEMBL4821587)	Binding affinity to recombinant His-tagged Cbl-b (unknown origin) (39 to 368 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by biofilm interference assay
50013904	1	ChEMBL_2112842 (CHEMBL4821692)	Inhibition of CDK6/Cyclin D3 (unknown origin) by mobility shift assay
50013904	2	ChEMBL_2112843 (CHEMBL4821693)	Inhibition of CDK4/Cyclin D3 (unknown origin) by mobility shift assay
50013904	3	ChEMBL_2112887 (CHEMBL4821737)	Inhibition of CDK1/cyclin B (unknown origin)
50013904	4	ChEMBL_2112888 (CHEMBL4821738)	Inhibition of CDK2/cyclin A2 (unknown origin)
50013904	5	ChEMBL_2112889 (CHEMBL4821739)	Inhibition of CDK7/cyclin H/MAT1 (unknown origin)
50013904	6	ChEMBL_2112890 (CHEMBL4821740)	Inhibition of CDK9 (unknown origin)
50013905	1	ChEMBL_2112908 (CHEMBL4821758)	Inhibition of BRD4-BD1 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 1 hr
50013906	1	ChEMBL_2112945 (CHEMBL4821795)	Inhibition of NDM-1 in Klebsiella pneumoniae using meropenem as substrate incubated for 0.5 hrs
50013907	1	ChEMBL_2113004 (CHEMBL4821854)	Inhibition of recombinant human PHD2 (181 to 426 residues) using DLDLEMLAPYIPMDDDFQL peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by Q-TOF mass spectrometric analysis
50013908	1	ChEMBL_2113011 (CHEMBL4821861)	Inhibition of mTOR (unknown origin)
50013909	1	ChEMBL_2113104 (CHEMBL4821954)	Agonist activity at human recombinant ALDH2 measured after 1 hr
50013910	1	ChEMBL_2113120 (CHEMBL4821970)	Inhibition of PI3Kdelta (unknown origin) by HTRF assay
50013910	2	ChEMBL_2113121 (CHEMBL4821971)	Inhibition of PI3Kalpha (unknown origin) by HTRF assay
50013910	3	ChEMBL_2113122 (CHEMBL4821972)	Inhibition of PI3Kbeta (unknown origin) by HTRF assay
50013910	4	ChEMBL_2113123 (CHEMBL4821973)	Inhibition of PI3Kgamma (unknown origin) by HTRF assay
50013911	1	ChEMBL_2113156 (CHEMBL4822006)	Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin)
50013911	2	ChEMBL_2113158 (CHEMBL4822008)	Displacement of [3H]N-methylspiperone from dopamine D2 receptor (unknown origin)
50013911	3	ChEMBL_2113159 (CHEMBL4822009)	Displacement of [3H]-methylspiperone from dopamine D3 receptor (unknown origin)
50013911	4	ChEMBL_2113160 (CHEMBL4822010)	Displacement of [3H]-methylspiperone from dopamine D4 receptor (unknown origin)
50013911	5	ChEMBL_2113161 (CHEMBL4822011)	Displacement of [3H]DTG from sigma2 receptor(unknown origin)
50013911	6	ChEMBL_2113162 (CHEMBL4822012)	Displacement of [3H]SCH23390 from dopamine D5 receptor (unknown origin)
50013913	1	ChEMBL_2113167 (CHEMBL4822017)	Activation of human NAMPT assessed as increase in NMN production by fluorescence based analysis
50013913	2	ChEMBL_2113190 (CHEMBL4822040)	Inhibition of human NAMPT assessed as decrease in NMN production by fluorescence based analysis
50013916	1	ChEMBL_2113191 (CHEMBL4822041)	Inhibition of APN (unknown origin) using A-AMC as substrate
50013916	2	ChEMBL_2113192 (CHEMBL4822042)	Inhibition of ERAP1 (unknown origin) using L-AMC as substrate
50013916	3	ChEMBL_2113193 (CHEMBL4822043)	Inhibition of ERAP2 (unknown origin) using R-AMC as substrate
50013916	4	ChEMBL_2113196 (CHEMBL4822046)	Inhibition of recombinant human ERAP1 using L-AMC as substrate incubated for 5 to 10 mins by fluorescence based assay
50013916	5	ChEMBL_2113197 (CHEMBL4822047)	Inhibition of recombinant human ERAP2 using R-AMC as substrate incubated for 5 to 10 mins by fluorescence based assay
50013917	1	ChEMBL_2113233 (CHEMBL4822083)	Binding affinity to P38alpha MAPK (unknown origin) using Smad3 as substrate incubated for 1 hr in presence of ATP by ELISA based competitive binding potency assay
50013917	2	ChEMBL_2113234 (CHEMBL4822084)	Binding affinity to recombinant human N-terminal GST-tagged P38alpha MAPK expressed in Escherichia coli using ERKtide as substrate by mobility shift assay
50013917	3	ChEMBL_2113236 (CHEMBL4822086)	Binding affinity to P38alpha MAPK (unknown origin) using MBP as substrate incubated for 1 hr by ELISA
50013917	4	ChEMBL_2113237 (CHEMBL4822087)	Binding affinity to P38alpha MAPK (unknown origin) using MAPKAPK2 as substrate incubated for 1 hr by ELISA
50013918	1	ChEMBL_2113238 (CHEMBL4822088)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition by colorimetric analysis
50013918	2	ChEMBL_2113239 (CHEMBL4822089)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by substrate addition by colorimetric analysis
50013918	3	ChEMBL_2113258 (CHEMBL4822108)	Inhibition of ovine COX-1 by colorimetric analysis
50013918	4	ChEMBL_2113259 (CHEMBL4822109)	Inhibition of ovine COX-2 by colorimetric analysis
50013918	5	ChEMBL_2113263 (CHEMBL4822113)	Inhibition of ovine COX-1 by EIA
50013918	6	ChEMBL_2113264 (CHEMBL4822114)	Inhibition of ovine COX-2 by EIA
50013918	7	ChEMBL_2113265 (CHEMBL4822115)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated with enzyme for 1 min followed by substrate addition by fluorometric analysis
50013918	8	ChEMBL_2113266 (CHEMBL4822116)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with enzyme for 20 mins followed by incubation with substrate for 2 mins by ADPH based fluorometric analysis
50013918	9	ChEMBL_2113267 (CHEMBL4822117)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated with enzyme for 20 mins followed by incubation with substrate for 2 mins by ADPH based fluorometric analysis
50013918	10	ChEMBL_2113268 (CHEMBL4822118)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by incubation with substrate for 5 mins by colorimetric analysis
50013918	11	ChEMBL_2113269 (CHEMBL4822119)	Inhibition of ovine COX-2 using arachidonic acid as substrate preincubated with enzyme for 5 mins followed by incubation with substrate for 5 mins by colorimetric analysis
50013918	12	ChEMBL_2113271 (CHEMBL4822121)	Inhibition of ovine COX-1
50013918	13	ChEMBL_2113272 (CHEMBL4822122)	Inhibition of human recombinant COX-2
50013921	1	ChEMBL_2113274 (CHEMBL4822124)	Displacement of KKQYDREFLLDFQFK-FITCH from recombinant GST-tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells by fluorescence polarization analysis
50013921	2	ChEMBL_2113285 (CHEMBL4822135)	Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET6-induced BRD4(BD2) degradation after 5 hrs fluorescence based analysis
50013923	1	ChEMBL_2113327 (CHEMBL4822177)	Inhibition of thymidylate synthase (unknown origin)
50013923	2	ChEMBL_2113332 (CHEMBL4822182)	Inhibition of human thymidylate synthase expressed in Escherichia coli using 6R,S-tetrahydrofolate and dUMP as substrate by spectrophotometric analysis
50013924	1	ChEMBL_2113340 (CHEMBL4822190)	Inhibition of TET1 (unknown origin)
50013924	2	ChEMBL_2113341 (CHEMBL4822191)	Inhibition of TET2 (unknown origin)
50013924	3	ChEMBL_2113342 (CHEMBL4822192)	Inhibition of TET3 (unknown origin)
50013924	4	ChEMBL_2113350 (CHEMBL4822200)	Inhibition of recombinant human GST-tagged TET2 (1099 to 1936 residues) expressed in Escherichia coli BL21 (DE3)pLysS assessed as reduction in 5hmc level incubated for 2 hrs by ELISA
50013924	5	ChEMBL_2113352 (CHEMBL4822202)	Inhibition of recombinant human N-terminal Flag-tagged TET1 (1418 to 2136 residues) expressed in Baculovirus infected Sf9 cells assessed as reduction in 5hmc level incubated for 2 hrs by ELISA
50013924	6	ChEMBL_2113353 (CHEMBL4822203)	Inhibition of recombinant human N-terminal Flag-tagged C-terminal His-tagged TET3 (824 to 1795 residues) expressed in Baculovirus infected Sf9 cells assessed as reduction in 5hmc level incubated for 2 hrs by ELISA
50013924	7	ChEMBL_2113354 (CHEMBL4822204)	Binding affinity to human recombinant TET2 (1099 to 1936) catalytic domain assessed as dissociation constant by micro-scale thermophoresis analysis
50013925	1	ChEMBL_2113358 (CHEMBL4822208)	Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC as flurogenic substrate for 90 mins by fluorescence-based assay
50013925	2	ChEMBL_2113366 (CHEMBL4822216)	Inhibition of beta 5 chymotrypsin-like activity (unknown origin) using Suc-LLVY-AMC as substrate for 90 mins by fluorescence based assay
50013927	1	ChEMBL_2113375 (CHEMBL4822225)	Inhibition of human His-tagged PERK expressed in Escherichia coli assessed as eIF2alpha phosphorylation by TR-FRET assay
50013927	2	ChEMBL_2113376 (CHEMBL4822226)	Inhibition of eIF2alpha (unknown origin) assessed as eIF2alpha phosphorylation by TR-FRET assay
50013929	1	ChEMBL_2113453 (CHEMBL4822303)	Inhibition of CDK2 (unknown origin)
50013929	2	ChEMBL_2113454 (CHEMBL4822304)	Inhibition of CDK5 (unknown origin)
50013929	3	ChEMBL_2113455 (CHEMBL4822305)	Inhibition of CDK9 (unknown origin)
50013929	4	ChEMBL_2113475 (CHEMBL4822325)	Binding affinity to CDK2 (unknown origin)
50013929	5	ChEMBL_2113476 (CHEMBL4822326)	Binding affinity to CDK5 (unknown origin)
50013929	6	ChEMBL_2113477 (CHEMBL4822327)	Binding affinity to CDK9 (unknown origin)
50013930	1	ChEMBL_2113514 (CHEMBL4822364)	Activation of PKM2 (unknown origin) by pyruvate kinase-lactate dehydrogenase coupled assay
50013932	1	ChEMBL_2113526 (CHEMBL4822376)	Inhibition of human CA1 by stopped-flow assay
50013932	2	ChEMBL_2113527 (CHEMBL4822377)	Inhibition of human CA2 by stopped-flow assay
50013932	3	ChEMBL_2113528 (CHEMBL4822378)	Inhibition of human CA4 by stopped-flow assay
50013932	4	ChEMBL_2113529 (CHEMBL4822379)	Inhibition of human CA9 by stopped-flow assay
50013932	5	ChEMBL_2113530 (CHEMBL4822380)	Inhibition of human CA12 by stopped-flow assay
50013932	6	ChEMBL_2113540 (CHEMBL4822390)	Inhibition of human recombinant CA1 assessed as intrinsic dissociation constant by thermal shift assay
50013932	7	ChEMBL_2113541 (CHEMBL4822391)	Inhibition of human recombinant CA2 assessed as intrinsic dissociation constant by thermal shift assay
50013932	8	ChEMBL_2113542 (CHEMBL4822392)	Inhibition of human recombinant CA3 assessed as intrinsic dissociation constant by thermal shift assay
50013932	9	ChEMBL_2113543 (CHEMBL4822393)	Inhibition of human recombinant CA4 assessed as intrinsic dissociation constant by thermal shift assay
50013932	10	ChEMBL_2113544 (CHEMBL4822394)	Inhibition of human recombinant CA5A assessed as intrinsic dissociation constant by thermal shift assay
50013932	11	ChEMBL_2113545 (CHEMBL4822395)	Inhibition of human recombinant CA5B assessed as intrinsic dissociation constant by thermal shift assay
50013932	12	ChEMBL_2113546 (CHEMBL4822396)	Inhibition of human recombinant CA6 assessed as intrinsic dissociation constant by thermal shift assay
50013932	13	ChEMBL_2113547 (CHEMBL4822397)	Inhibition of human recombinant CA7 assessed as intrinsic dissociation constant by thermal shift assay
50013932	14	ChEMBL_2113548 (CHEMBL4822398)	Inhibition of human recombinant CA9 assessed as intrinsic dissociation constant by thermal shift assay
50013932	15	ChEMBL_2113549 (CHEMBL4822399)	Inhibition of human recombinant CA12 assessed as intrinsic dissociation constant by thermal shift assay
50013932	16	ChEMBL_2113550 (CHEMBL4822400)	Inhibition of human recombinant CA13 assessed as intrinsic dissociation constant by thermal shift assay
50013932	17	ChEMBL_2113551 (CHEMBL4822401)	Inhibition of human recombinant CA14 assessed as intrinsic dissociation constant by thermal shift assay
50013932	18	ChEMBL_2113554 (CHEMBL4822404)	Inhibition of p38alphaMAPK (unknown origin)
50013933	1	ChEMBL_2113575 (CHEMBL4822425)	Inhibition of recombinant human GST-tagged Axl incubated for 1 hr by ADP-glo based luminometry analysis
50013933	2	ChEMBL_2113576 (CHEMBL4822426)	Inhibition of recombinant human GST-tagged Mer using biotinylated peptide as substrate incubated for 1 hr by TR-FRET analysis
50013933	3	ChEMBL_2113577 (CHEMBL4822427)	Inhibition of recombinant human Axl expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assay
50013933	4	ChEMBL_2113578 (CHEMBL4822428)	Inhibition of recombinant human Mer expressed in mouse BaF3 cells assessed as reduction in cell viability incubated for 2 days by cell titer glo assay
50013934	1	ChEMBL_2113598 (CHEMBL4822448)	Inhibition of BTK (unknown origin)
50013934	2	ChEMBL_2113599 (CHEMBL4822449)	Inhibition of BTK in human whole blood
50013934	3	ChEMBL_2113600 (CHEMBL4822450)	Inhibition of BTK in human PBMC
50013934	4	ChEMBL_2113604 (CHEMBL4822454)	Inhibition of human ERG
50013934	5	ChEMBL_2113614 (CHEMBL4822464)	Inhibition of CYP2C9 (unknown origin)
50013934	6	ChEMBL_2113615 (CHEMBL4822465)	Inhibition of CYP2C19 (unknown origin)
50013934	7	ChEMBL_2113639 (CHEMBL4822489)	Inhibition of human BTK
50013934	8	ChEMBL_2113640 (CHEMBL4822490)	Inhibition of human FGR
50013934	9	ChEMBL_2113641 (CHEMBL4822491)	Inhibition of human SRC
50013934	10	ChEMBL_2113642 (CHEMBL4822492)	Inhibition of human Aurora-A
50013934	11	ChEMBL_2113643 (CHEMBL4822493)	Inhibition of human MINK1
50013934	12	ChEMBL_2113644 (CHEMBL4822494)	Inhibition of human BMX
50013934	13	ChEMBL_2113645 (CHEMBL4822495)	Inhibition of human TEC
50013934	14	ChEMBL_2113646 (CHEMBL4822496)	Inhibition of human YES1
50013934	15	ChEMBL_2113647 (CHEMBL4822497)	Inhibition of BTK in rat whole blood
50013935	1	ChEMBL_2113695 (CHEMBL4822545)	Inhibition of IL-15 in mouse 32Dbeta cells assessed as decrease in cell growth in presence of RLI incubated for 30 mins followed by RLI addition and measured after 2.5 days by alamar blue assay
50013935	2	ChEMBL_2113696 (CHEMBL4822546)	Inhibition of IL-15 in mouse 32Dbeta cells assessed as decrease in cell growth in presence of IL2 incubated for 30 mins followed by IL2 addition and measured after 2.5 days by alamar blue assay
50013935	3	ChEMBL_2113697 (CHEMBL4822547)	Inhibition of IL-15-induced STAT3 phosphorylation in human NK92 cells incubated for 30 mins followed by IL-15 stimulation and measured after 1 hr by alphascreen assay
50013935	4	ChEMBL_2113698 (CHEMBL4822548)	Inhibition of IL2-induced STAT3 phosphorylation in human NK92 cells incubated for 30 mins followed by IL-15 stimulation and measured after 1 hr by alphascreen assay
50013935	5	ChEMBL_2113699 (CHEMBL4822549)	Binding affinity to recombinant human IL-15 assessed as dissociation constant by SPR analysis
50013937	1	ChEMBL_2113702 (CHEMBL4822552)	Inhibition of ASCT2 (unknown origin)
50013939	1	ChEMBL_2113793 (CHEMBL4822643)	Inhibition of VEGFR-2 (unknown origin) by using poly (Glu:Tyr 4:1) as substrate measured after 45 mins by Kinase-Glo max based microplate reader
50013940	1	ChEMBL_2113842 (CHEMBL4822692)	Displacement of [3H]-folic acid from FRalpha (unknown origin) expressed in human KB cells after 1 hr
50013940	2	ChEMBL_2113843 (CHEMBL4822693)	Displacement of [3H]-folic acid from FRbeta (unknown origin) expressed in mouse RAW264.7 cells after 1 hr
50013941	1	ChEMBL_2113883 (CHEMBL4822733)	Inhibition of human wild type RIPK1 (M1 to K305) expressed in bacterial system by kinomescan assay
50013941	2	ChEMBL_2113884 (CHEMBL4822734)	Inhibition of human wild type RIPK3 (M1 to Q307) expressed in bacterial system by kinomescan assay
50013941	3	ChEMBL_2113894 (CHEMBL4822744)	Inhibition of GST-tagged RIPK1 (1 to 375) (unknown origin) by fluorescent polarization based binding assay
50013941	4	ChEMBL_2113895 (CHEMBL4822745)	Inhibition of GST-tagged RIPK1 (1 to 375) (unknown origin) incubated for 4 hrs by ADP-Glo kinase assay
50013943	1	ChEMBL_2113940 (CHEMBL4822790)	Inhibition of CES2 in human liver microsomes assessed as reduction in substrate hydrolysis using fluorescein diacetate as substrate preincubated for 3 mins followed by substrate addition and measured after 20 mins by fluorescence analysis
50013943	2	ChEMBL_2113941 (CHEMBL4822791)	Non-competitive inhibition of CES2 in human liver microsomes using fluorescein diacetate as substrate by Lineweaver-Burk plot based Michelis-Menten equation analysis
50013947	1	ChEMBL_2113952 (CHEMBL4822802)	Binding affinity to human ERalpha LBD assessed as inhibition constant measured after 2 hrs by microplate reader
50013947	2	ChEMBL_2113953 (CHEMBL4822803)	Binding affinity to human ERbeta LBD assessed as inhibition constant measured after 2 hrs by microplate reader
50013947	3	ChEMBL_2113955 (CHEMBL4822805)	Agonist activity at ERalpha (unknown origin) expressed in human HEK293T cells assessed as transcriptional activities by measuring ERE driven reporter gene expression measured after 24 hrs by dual luciferase reporter gene assay
50013947	4	ChEMBL_2113956 (CHEMBL4822806)	Agonist activity at ERbeta (unknown origin) expressed in human HEK293T cells assessed as transcriptional activities by measuring ERE driven reporter gene expression measured after 24 hrs by dual luciferase reporter gene assay
50013947	5	ChEMBL_2113959 (CHEMBL4822809)	Antagonist activity at ERalpha (unknown origin) expressed in human HEK293T cells assessed as inhibition of 17beta-estradiol-induced transcriptional activities by measuring ERE driven reporter gene expression measured after 24 hrs by dual luciferase reporter gene assay
50013947	6	ChEMBL_2113960 (CHEMBL4822810)	Antagonist activity at ERbeta (unknown origin) expressed in human HEK293T cells assessed as inhibition of 17beta-estradiol-induced transcriptional activities by measuring ERE driven reporter gene expression measured after 24 hrs by dual luciferase reporter gene assay
50013947	7	ChEMBL_2113969 (CHEMBL4822819)	Inhibition of human recombinant HDAC8 incubated for 15 mins by fluorogenic assay
50013947	8	ChEMBL_2113970 (CHEMBL4822820)	Inhibition of human recombinant HDAC6 incubated for 15 mins by fluorogenic assay
50013950	1	ChEMBL_2113975 (CHEMBL4822825)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 1 hr by fluorescence based spectrofluorimeter assay
50013951	1	ChEMBL_2114002 (CHEMBL4822852)	Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured malate dehydrogenase
50013951	2	ChEMBL_2114003 (CHEMBL4822853)	Inhibition of Escherichia coli GroEL/ES-mediated refolding of the denatured rhodanese
50013951	3	ChEMBL_2114004 (CHEMBL4822854)	Inhibition of human mitochondrial HSP60/10-mediated refolding of the denatured malate dehydrogenase
50013951	4	ChEMBL_2114020 (CHEMBL4822870)	Inhibition of refolded Rhodanese (unknown origin)-mediated conversion of cyanide to thiocyanate treated with compound after refolding of the denatured enzyme
50013952	1	ChEMBL_2114028 (CHEMBL4822878)	Inhibition of N-terminal GST-fused human full length recombinant MNK1 (1 to 424 residues) expressed in baculovirus-infected Sf21 cells using TATKSGSTTKNR as substrate preincubated with enzyme and substrate for 10 mins followed by ATP addition and measured after 40 mins by ADP-glo luminescence assay
50013952	2	ChEMBL_2114029 (CHEMBL4822879)	Inhibition of N-terminal GST-fused human full length recombinant MNK2 (1 to 465 residues) expressed in baculovirus-infected Sf21 cells using TATKSGSTTKNR as substrate preincubated with enzyme and substrate for 10 mins followed by ATP addition and measured after 40 mins by ADP-glo luminescence assay
50013953	1	ChEMBL_2114055 (CHEMBL4822905)	Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation in presence of template-primer incubated for 60 mins followed by transferring to streptavidin-coated plate and further incubation for 60 mins by ELISA
50013954	1	ChEMBL_2114059 (CHEMBL4822909)	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured by Ellman's method
50013954	2	ChEMBL_2114060 (CHEMBL4822910)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured by Ellman's method
50013955	1	ChEMBL_2114062 (CHEMBL4822912)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB-reagent based Ellman's method
50013955	2	ChEMBL_2114063 (CHEMBL4822913)	Inhibition of recombinant human BuChE using butyrylthiocholine as substrate by Ellman's method
50013955	3	ChEMBL_2114066 (CHEMBL4822916)	Inhibition of recombinant human nNOS
50013955	4	ChEMBL_2114068 (CHEMBL4822918)	Non competitive type inhibition of human AChE assessed as inhibition constant using varying levels of acetylthiocholine as substrate by double reciprocal Lineweaver-Burk plot analysis
50013957	1	ChEMBL_2114072 (CHEMBL4822922)	Inhibition of recombinant human furin Protease
50013957	2	ChEMBL_2114075 (CHEMBL4822925)	Inhibition of SARS-CoV-2 main protease
50013957	3	ChEMBL_2114076 (CHEMBL4822926)	Inhibition of SARS-CoV-2 papain-like protease
50013959	1	ChEMBL_2114077 (CHEMBL4822927)	Inhibition of COX-1 (unknown origin)
50013959	2	ChEMBL_2114078 (CHEMBL4822928)	Inhibition of COX-2 (unknown origin)
50013960	1	ChEMBL_2114091 (CHEMBL4822941)	Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay
50013960	2	ChEMBL_2114092 (CHEMBL4822942)	Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay
50013960	3	ChEMBL_2114131 (CHEMBL4822981)	Inhibition of human wild type GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay
50013960	4	ChEMBL_2114132 (CHEMBL4822982)	Inhibition of human GSK-3beta C199A mutant incubated with substrate in presence of ATP measured by serial dilution assay
50013964	1	ChEMBL_2114144 (CHEMBL4822994)	Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in Escherichia coli BL21 (DE3) luciferase based succinate-gloTM JmjC demethylase/hydroxylase assay
50013964	2	ChEMBL_2114145 (CHEMBL4822995)	Binding affinity to N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in Escherichia coli BL21 (DE3) measured by MST assay
50013964	3	ChEMBL_2114146 (CHEMBL4822996)	Inhibition of N-terminal His-tagged human JMJD7 (1 to 316 residues) expressed in Escherichia coli BL21 (DE3) using peptide substrate DRG (16 to 30) measured by flourescence polarisation competition assay
50013965	1	ChEMBL_2114153 (CHEMBL4823003)	Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method
50013965	2	ChEMBL_2114154 (CHEMBL4823004)	Agonist activity at human P2Y6R expressed in 1321N1 cells measured after 30 mins by scintillation proximity assay
50013965	3	ChEMBL_2114156 (CHEMBL4823006)	Binding affinity to human P2Y14 expressed in CHO cells
50013965	4	ChEMBL_2114157 (CHEMBL4823007)	Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by FLIPR method
50013965	5	ChEMBL_2114161 (CHEMBL4823011)	Inhibition of rat CD73 using [3H]-AMP as substrate by radiometric assay
50013968	1	ChEMBL_2114165 (CHEMBL4823015)	Inhibition of recombinant human PTP4A3
50013969	1	ChEMBL_2114176 (CHEMBL4823026)	Displacement of [3H]PGE2 from human EP3 receptor expressed in CHO cells by radioligand competition binding assay
50013970	1	ChEMBL_2114192 (CHEMBL4823042)	Inhibition of PARP1 (unknown origin)
50013973	1	ChEMBL_2114254 (CHEMBL4823104)	Competitive inhibition of Mycobacterium tuberculosis H37Rv membrane MenA using DHNA as a substrate in presence of [1-3H]FPP or [1-3H]GGPP
50013973	2	ChEMBL_2114257 (CHEMBL4823107)	Inhibition of Mycobacterium tuberculosis MenA
50013975	1	ChEMBL_2114259 (CHEMBL4823109)	Inhibition of BPTF (unknown origin) by AlphaScreen assay
50013975	2	ChEMBL_2114266 (CHEMBL4823116)	Binding affinity to BPTF (unknown origin) by isothermal titration calorimetry
50013975	3	ChEMBL_2114267 (CHEMBL4823117)	Inhibition of N-terminal GST-tagged human recombinant BPTF expressed in Escherichia coli BL21-Codonplus (DE3)-RIPL incubated for 30 mins by HTRF assay
50013975	4	ChEMBL_2114268 (CHEMBL4823118)	Binding affinity to BPTF (unknown origin) by BLI assay
50013975	5	ChEMBL_2114269 (CHEMBL4823119)	Inhibition of CECR2 (unknown origin) by AlphaScreen assay
50013975	6	ChEMBL_2114270 (CHEMBL4823120)	Inhibition of BPTF in human HEK293 cells by NanoBRET assay
50013976	1	ChEMBL_2114280 (CHEMBL4823130)	Inhibition of AChE in rat brain cortex
50013976	2	ChEMBL_2114281 (CHEMBL4823131)	Inhibition of AChE in rat brain Cerebellum
50013976	3	ChEMBL_2114282 (CHEMBL4823132)	Inhibition of AChE in rat brain Striatum
50013976	4	ChEMBL_2114283 (CHEMBL4823133)	Inhibition of AChE in rat brain Hippocampus
50013977	1	ChEMBL_2114299 (CHEMBL4823149)	Antagonist activity at muscarinic M3 receptor (unknown origin)
50013978	1	ChEMBL_2114338 (CHEMBL4823188)	Inhibition of DYRK1B (unknown origin)
50013978	2	ChEMBL_2114339 (CHEMBL4823189)	Inhibition of DYRK1A (unknown origin)
50013979	1	ChEMBL_2114395 (CHEMBL4823336)	Inhibition of HDAC in human A2780 cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 18 hrs followed by susbtrate addition and measured after 3 hrs by fluorescence microplate reader assay
50013979	2	ChEMBL_2114396 (CHEMBL4823337)	Inhibition of HDAC in human CAL-27 cells using Boc-Lys (acetyl)-AMC as substrate preincubated for 18 hrs followed by susbtrate addition and measured after 3 hrs by fluorescence microplate reader assay
50013979	3	ChEMBL_2114399 (CHEMBL4823340)	Inhibition of recombinant human full length C-terminal GST-fusion tagged HDAC2 expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 90 mins by fluorimetry
50013979	4	ChEMBL_2114400 (CHEMBL4823341)	Inhibition of recombinant human N-terminal GST-fusion tagged/C-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 90 mins by fluorimetry
50013979	5	ChEMBL_2114401 (CHEMBL4823342)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 90 mins by fluorimetry
50013979	6	ChEMBL_2114402 (CHEMBL4823343)	Inhibition of recombinant human C-terminal His-fusion tagged/N-terminal Strep2 tagged HDAC8 (1 to 377 residues) expressed in insect cells using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 90 mins by fluorimetry
50013979	7	ChEMBL_2114436 (CHEMBL4823377)	Inhibition of HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.7 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	8	ChEMBL_2114437 (CHEMBL4823378)	Inhibition of HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 3 to 4 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	9	ChEMBL_2114438 (CHEMBL4823379)	Inhibition of HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 2 to 3 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	10	ChEMBL_2114439 (CHEMBL4823380)	Inhibition of HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.3 to 0.5 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	11	ChEMBL_2114440 (CHEMBL4823381)	Inhibition of HDAC in human CAL-27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.7 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	12	ChEMBL_2114441 (CHEMBL4823382)	Inhibition of HDAC in human CAL-27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 3 to 4 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	13	ChEMBL_2114442 (CHEMBL4823383)	Inhibition of HDAC in human CAL-27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 2 to 3 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013979	14	ChEMBL_2114443 (CHEMBL4823384)	Inhibition of HDAC in human CAL-27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.3 to 0.5 uM pretreated for 48 hrs followed by cisplatin addition and measured after 72 hrs by MTT assay (Rvb = 3.57 uM)
50013980	1	ChEMBL_2114551 (CHEMBL4823492)	Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated for 12 to 14 hrs by hybrid reporter gene assay
50013980	2	ChEMBL_2114569 (CHEMBL4823510)	Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity incubated for 12 to 14 hrs by hybrid reporter gene assay
50013981	1	ChEMBL_2114591 (CHEMBL4823532)	Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 40 mins by TR-FRET assay
50013981	2	ChEMBL_2114593 (CHEMBL4823534)	Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter assay
50013981	3	ChEMBL_2114597 (CHEMBL4823538)	Agonist activity at Galphaq16-fused human APJ receptor expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calcium 5-dye based fluorescence based assay
50013981	4	ChEMBL_2114599 (CHEMBL4823540)	Agonist activity at Galphaq16-fused mouse APJ receptor expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calcium 5-dye based fluorescence based assay
50013981	5	ChEMBL_2114601 (CHEMBL4823542)	Agonist activity at Galphaq16-fused human AGTR1 expressed in CHO cells assessed as stimulation of Ca2+ mobilization incubated for 1 hr by Calcium 5-dye based fluorescence based assay
50013981	6	ChEMBL_2114602 (CHEMBL4823543)	Agonist activity at human APJ receptor expressed in CHO-K1 cell membrane incubated for 60 mins under shaking condition in presence of [35S]GTPgammaS by scintillation counting method
50013981	7	ChEMBL_2114604 (CHEMBL4823545)	Binding affinity to human APJ assessed as inhibition constant
50013982	1	ChEMBL_2114636 (CHEMBL4823577)	Inhibition of AXL (unknown origin) using poly [Glu, Tyr] 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50013982	2	ChEMBL_2114637 (CHEMBL4823578)	Inhibition of full length recombinant human BTK using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting based radiometry assay
50013982	3	ChEMBL_2114654 (CHEMBL4823595)	Inhibition of recombinant human MET (974 to end residues) using KKKGQEEEYVFIE as substrate incubated for 40 mins in presence of [gamma-33ATP by scintillation counting based radiometry assay
50013982	4	ChEMBL_2114655 (CHEMBL4823596)	Inhibition of recombinant human MER (557 to 882 residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma-33ATP by scintillation counting based radiometry assay
50013982	5	ChEMBL_2114656 (CHEMBL4823597)	Inhibition of recombinant human RSE (451 to end residues) using KVEKIGEGTYGVVYK as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	6	ChEMBL_2114657 (CHEMBL4823598)	Inhibition of human ALK (1058 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	7	ChEMBL_2114658 (CHEMBL4823599)	Inhibition of recombinant human FGFR1 (456 to 765 residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50013982	8	ChEMBL_2114659 (CHEMBL4823600)	Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	9	ChEMBL_2114660 (CHEMBL4823601)	Inhibition of recombinant human KDR (790 to end residues) using myelin basic protein as substrate incubated for 40 mins by [gamma-33P]-ATP scintillation counting based radiometry assay
50013982	10	ChEMBL_2114661 (CHEMBL4823602)	Inhibition of human PDGFRalpha (550 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	11	ChEMBL_2114662 (CHEMBL4823603)	Inhibition of human PDGFRbeta (557 to end residues) using poly(Glu, Tyr) 4:1 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	12	ChEMBL_2114663 (CHEMBL4823604)	Inhibition of recombinant human C-Kit using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	13	ChEMBL_2114664 (CHEMBL4823605)	Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	14	ChEMBL_2114665 (CHEMBL4823606)	Inhibition of recombinant human EGFR (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	15	ChEMBL_2114666 (CHEMBL4823607)	Inhibition of recombinant human ERBB4 (706 to 991 residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	16	ChEMBL_2114667 (CHEMBL4823608)	Inhibition of recombinant human C-Src using KVEKIGEGTYGVVYK as substrate incubated 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	17	ChEMBL_2114668 (CHEMBL4823609)	Inhibition of human recombinant ABL (27 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013982	18	ChEMBL_2114669 (CHEMBL4823610)	Inhibition of recombinant human EphA2 (596 to 900 residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	19	ChEMBL_2114670 (CHEMBL4823611)	Inhibition of human IGF1R (959 to end residues) using KKKSPGEYVNIEFG as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	20	ChEMBL_2114671 (CHEMBL4823612)	Inhibition of recombinant human A-Raf (273 to end residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	21	ChEMBL_2114672 (CHEMBL4823613)	Inhibition of human recombinant CLK1 (130 to end residues) using ERMRPRKRQGSVR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50013982	22	ChEMBL_2114673 (CHEMBL4823614)	Inhibition of human recombinant FAK1 (411 to 686 residues) using EEEEYEEEEEEYY as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50013982	23	ChEMBL_2114674 (CHEMBL4823615)	Inhibition of recombinant human GCK (1 to 473 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	24	ChEMBL_2114675 (CHEMBL4823616)	Inhibition of human JAK1 (866 to end residues) using GEEPLYWSFPAKKK as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	25	ChEMBL_2114676 (CHEMBL4823617)	Inhibition of recombinant human JAK3 (781 to end residues) using GGEEEEYFELVKKKK as substrate measured after 40 mins in presence of [gamm33P]ATP by scintillation counting method
50013982	26	ChEMBL_2114677 (CHEMBL4823618)	Inhibition of human full length recombinant ERK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P-ATP] by radiometric scintillation counting analysis
50013982	27	ChEMBL_2114678 (CHEMBL4823619)	Inhibition of recombinant human MEK1 using inactive MAPK2 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	28	ChEMBL_2114679 (CHEMBL4823620)	Inhibition of full length recombinant human mTOR incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	29	ChEMBL_2114680 (CHEMBL4823621)	Inhibition of recombinant human full length SYK using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	30	ChEMBL_2114682 (CHEMBL4823623)	Inhibition of recombinant human Ret (658 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	31	ChEMBL_2114683 (CHEMBL4823624)	Inhibition of recombinant full length human Rsk1 using KKKNRTLSVA as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	32	ChEMBL_2114684 (CHEMBL4823625)	Inhibition of recombinant full-length human ZAK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013982	33	ChEMBL_2114685 (CHEMBL4823626)	Inhibition of recombinant human CaMK1 (2 to end residues) using calmodulin as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	34	ChEMBL_2114686 (CHEMBL4823627)	Inhibition of recombinant full length human CDK1/CyclinB using Histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	35	ChEMBL_2114687 (CHEMBL4823628)	Inhibition of full length human recombinant CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50013982	36	ChEMBL_2114688 (CHEMBL4823629)	Inhibition of recombinant full length human CDK4/CyclinD3 using Rb fragment as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	37	ChEMBL_2114689 (CHEMBL4823630)	Inhibition of recombinant full length human CDK6/CyclinD3C using Rb fragment as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	38	ChEMBL_2114690 (CHEMBL4823631)	Inhibition of recombinant full length human CDK12/CyclinK using RSRSRSRSRSRSR as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50013982	39	ChEMBL_2114691 (CHEMBL4823632)	Inhibition of recombinant human full length PI3K p110delta/p85a using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50013984	1	ChEMBL_2114739 (CHEMBL4823680)	Inhibition of human SHP2 catalytic activity in human MV4-11 cells
50013986	1	ChEMBL_2114758 (CHEMBL4823699)	Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as substrate incubated for 30 mins in presence of ATP by ELISA
50013986	2	ChEMBL_2114759 (CHEMBL4823700)	Inhibition of ATM in human U2OS cells assessed as reduction in etoposide-stimulated KAP1 phosphorylation incubated for 60 mins by immunoreactivity assay
50013986	3	ChEMBL_2114760 (CHEMBL4823701)	Inhibition of full length recombinant GST-tagged human VPS34 expressed in baculovirus expression system using PI/PS as substrate incubated for 60 mins in presence of ATP at Km concentration by luminescence assay
50013986	4	ChEMBL_2114766 (CHEMBL4823707)	Inhibition of DNA-PK isolated from human HeLa nuclear extract using full length His-tagged p53 as substrate measured after 75 mins in presence of ATP by HTRF assay
50013986	5	ChEMBL_2114767 (CHEMBL4823708)	Inhibition of ATR in human HT-29 cells assessed as reduction in CHK1 phosphorylation incubated for 4 hrs
50013986	6	ChEMBL_2114768 (CHEMBL4823709)	Binding affinity to VPS34 (unknown origin)
50013986	7	ChEMBL_2114770 (CHEMBL4823711)	Binding affinity to mTOR (unknown origin)
50013987	1	ChEMBL_2114787 (CHEMBL4823728)	Inhibition of FLT3 ITD/F691L double mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	2	ChEMBL_2114792 (CHEMBL4823733)	Inhibition of FLT3 (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	3	ChEMBL_2114793 (CHEMBL4823734)	Inhibition of FLT3 ITD mutant (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	4	ChEMBL_2114794 (CHEMBL4823735)	Inhibition of FLT3 D835Y mutant (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	5	ChEMBL_2114795 (CHEMBL4823736)	Inhibition of c-KIT (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	6	ChEMBL_2114796 (CHEMBL4823737)	Inhibition of CSF1R (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	7	ChEMBL_2114797 (CHEMBL4823738)	Inhibition of PDGFRalpha (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	8	ChEMBL_2114798 (CHEMBL4823739)	Inhibition of PDGFRbeta (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	9	ChEMBL_2114799 (CHEMBL4823740)	Inhibition of VEGFR1 (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	10	ChEMBL_2114800 (CHEMBL4823741)	Inhibition of VEGFR2 (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50013987	11	ChEMBL_2114821 (CHEMBL4823762)	Inhibition of TEL-FLT3 D835Y mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	12	ChEMBL_2114822 (CHEMBL4823763)	Inhibition of TEL-FLT3 D835H mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	13	ChEMBL_2114823 (CHEMBL4823764)	Inhibition of TEL-FLT3 D835V mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	14	ChEMBL_2114824 (CHEMBL4823765)	Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	15	ChEMBL_2114825 (CHEMBL4823766)	Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013987	16	ChEMBL_2114826 (CHEMBL4823767)	Inhibition of FLT3 ITD/D835V double mutant (unknown origin) expressed in mouse BaF3 cells assessed as antiproliferative activity incubated for 72 hrs by CCK8 assay
50013990	1	ChEMBL_2114930 (CHEMBL4823871)	Inhibition of LONP1 (unknown origin) using QXL520-YRGITCSGRQK(5-FAM)-NH2 peptide as substrate incubated for 50 mins in presence of ATP by HTRF assay
50013990	2	ChEMBL_2114931 (CHEMBL4823872)	Inhibition of human erythrocytes 20S proteasome using QXL520-YRGITCSGRQK(5-FAM)-NH2 fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by HTRF assay
50013991	1	ChEMBL_2114939 (CHEMBL4823880)	Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50013991	2	ChEMBL_2114940 (CHEMBL4823881)	Inhibition of full length recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50013991	3	ChEMBL_2114942 (CHEMBL4823883)	Inhibition of full length recombinant C-terminal FLAG-His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC peptide as substrate measured after 60 mins by fluorimetry analysis
50013991	4	ChEMBL_2114943 (CHEMBL4823884)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC peptide as substrate measured after 90 mins by fluorimetry analysis
50013991	5	ChEMBL_2114947 (CHEMBL4823888)	Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	6	ChEMBL_2114948 (CHEMBL4823889)	Inhibition of recombinant human HDAC1 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	7	ChEMBL_2114949 (CHEMBL4823890)	Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	8	ChEMBL_2114956 (CHEMBL4823897)	Inhibition of recombinant human HDAC2 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	9	ChEMBL_2114957 (CHEMBL4823898)	Inhibition of recombinant human HDAC3 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	10	ChEMBL_2114958 (CHEMBL4823899)	Inhibition of recombinant human HDAC4 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	11	ChEMBL_2114959 (CHEMBL4823900)	Inhibition of recombinant human HDAC5 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	12	ChEMBL_2114960 (CHEMBL4823901)	Inhibition of recombinant human HDAC7 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	13	ChEMBL_2114961 (CHEMBL4823902)	Inhibition of recombinant human HDAC9 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	14	ChEMBL_2114962 (CHEMBL4823903)	Inhibition of recombinant human HDAC11 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay
50013991	15	ChEMBL_2114963 (CHEMBL4823904)	Inhibition of Nanoluc-fused HDAC1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NANOBRET assay
50013991	16	ChEMBL_2114964 (CHEMBL4823905)	Inhibition of Nanoluc-fused HDAC6 CD2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NANOBRET assay
50013991	17	ChEMBL_2114965 (CHEMBL4823906)	Inhibition of HDAC6 in human RPMI-8226 cells assessed as increase in tubulin acetylation incubated for 6 hrs by Western blot analysis
50013991	18	ChEMBL_2114970 (CHEMBL4823911)	Inhibition of CYP1A2 (unknown origin)
50013991	19	ChEMBL_2114971 (CHEMBL4823912)	Inhibition of CYP2C9 (unknown origin)
50013991	20	ChEMBL_2114972 (CHEMBL4823913)	Inhibition of CYP2C19 (unknown origin)
50013991	21	ChEMBL_2114973 (CHEMBL4823914)	Inhibition of CYP2D6 (unknown origin)
50013991	22	ChEMBL_2114974 (CHEMBL4823915)	Inhibition of CYP3A4 (unknown origin)
50013992	1	ChEMBL_2115022 (CHEMBL4823963)	Binding affinity to human N-terminal His6-tagged 15N-labelled KRS (1 to 207 residues) expressed in Escherichia coli BL21(DE3) measured by flourescence based binding titration assay
50013994	1	ChEMBL_2115049 (CHEMBL4823990)	Inhibition of HCV NS5B RNA-dependent RNA polymerase using sshRNA template preincubated for 5 mins followed by compound addition and measured after 90 mins
50013995	1	ChEMBL_2115124 (CHEMBL4824065)	Binding affinity to human CBP measured at 15 degreeC by ITC assay
50013995	2	ChEMBL_2115125 (CHEMBL4824066)	Inhibition of human CBP by FRET assay
50013995	3	ChEMBL_2115126 (CHEMBL4824067)	Binding affinity to human BRD4 measured at 15 degreeC by ITC assay
50013995	4	ChEMBL_2115127 (CHEMBL4824068)	Inhibition of CBP (unknown origin) by AlphaScreen assay
50013995	5	ChEMBL_2115128 (CHEMBL4824069)	Inhibition of CBP (unknown origin) by FRET assay
50013995	6	ChEMBL_2115129 (CHEMBL4824070)	Binding affinity to BRD4 (unknown origin) by fluorescence polarization assay
50013995	7	ChEMBL_2115130 (CHEMBL4824071)	Inhibition of His-tagged CBP (unknown origin) using biotinylated-H3K56ac peptide as substrate incubated for 1 hr by AlphaScreen assay
50013995	8	ChEMBL_2115131 (CHEMBL4824072)	Inhibition of His-tagged BRD4 BD1 (unknown origin) using biotinylated-JQ1 peptide as substrate incubated for 1 hr by AlphaScreen assay
50013995	9	ChEMBL_2115136 (CHEMBL4824077)	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BromoELECT assay
50013995	10	ChEMBL_2115137 (CHEMBL4824078)	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BromoELECT assay
50013995	11	ChEMBL_2115138 (CHEMBL4824079)	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BromoELECT assay
50013996	1	ChEMBL_2115158 (CHEMBL4824099)	Agonist activity at human TRPA1 expressed in HEK cells assessed as increase in menthol-induced intracellular calcium level incubated for 2 hrs by FLIPR assay
50013996	2	ChEMBL_2115159 (CHEMBL4824100)	Agonist activity at human TRPV4 expressed in HEK cells assessed as increase in GSK1016790A-induced intracellular calcium level measured after 1 hr by FLIPR assay
50013996	3	ChEMBL_2115160 (CHEMBL4824101)	Agonist activity at human TRPV1 expressed in CHO cells assessed as increase in capsaicin-induced intracellular calcium level measured after 1 hr by FLIPR assay
50013996	4	ChEMBL_2115161 (CHEMBL4824102)	Agonist activity at human TRPM8 expressed in HEK cells assessed as increase in menthol-induced intracellular calcium level measured after 1 hr by FLIPR assay
50013996	5	ChEMBL_2115164 (CHEMBL4824105)	Agonist activity at human TRPM5 expressed in CHO-K1 cells maintained at 80 mV final holding potential by syncroPatch assay
50013996	6	ChEMBL_2115165 (CHEMBL4824106)	Agonist activity at human TRPM5 expressed in CHO-K1 cells maintained at 80 mV final holding potential by QPatch HTX assay
50013996	7	ChEMBL_2115166 (CHEMBL4824107)	Agonist activity at mouse TRPM5 expressed in CHO-K1 cells maintained at 80 mV final holding potential by syncroPatch assay
50013996	8	ChEMBL_2115170 (CHEMBL4824111)	Agonist activity at human TRPM4 expressed in CHO cells assessed as increase in A23187-induced intracellular calcium level by FLIPR assay
50014000	1	ChEMBL_2115241 (CHEMBL4824182)	Inhibition of SREBP (unknown origin) expressed in CHO-K1 cells by luciferase reporter assay
50014001	1	ChEMBL_2115260 (CHEMBL4824201)	Inhibition of full length C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinylated human BCL9 (350 to 375 residues) protein-protein interaction incubated for 1 hr by Alphascreen assay
50014002	1	ChEMBL_2115301 (CHEMBL4824242)	Inhibition of recombinant His-tagged Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL2(DE3) using TS2 as substrate by spectrophotometric assay
50014002	2	ChEMBL_2115302 (CHEMBL4824243)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 3.1 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	3	ChEMBL_2115303 (CHEMBL4824244)	Inhibition of recombinant His-FLAG-tagged Leishmania infantum TryR dimerization expressed in Escherichia coli BL2(DE3) assessed as reduction in TryR dimer using TS2 as substrate after 16 hrs by ELISA
50014002	4	ChEMBL_2115306 (CHEMBL4824247)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 3.1 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	5	ChEMBL_2115307 (CHEMBL4824248)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 6.2 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	6	ChEMBL_2115308 (CHEMBL4824249)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 6.2 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	7	ChEMBL_2115309 (CHEMBL4824250)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 12.5 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	8	ChEMBL_2115310 (CHEMBL4824251)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 12.5 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	9	ChEMBL_2115311 (CHEMBL4824252)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 25 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	10	ChEMBL_2115312 (CHEMBL4824253)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 25 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	11	ChEMBL_2115313 (CHEMBL4824254)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 50 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	12	ChEMBL_2115314 (CHEMBL4824255)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 50 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	13	ChEMBL_2115315 (CHEMBL4824256)	Inhibition of recombinant Leishmania infantum TryR assessed as apparent inhibition constant for initial EI complex in presence of 100 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	14	ChEMBL_2115316 (CHEMBL4824257)	Inhibition of recombinant Leishmania infantum TryR assessed as overall apparent inhibition constant in presence of 100 uM TS2 by DTNB-reagent based spectrophotometric method
50014002	15	ChEMBL_2115317 (CHEMBL4824258)	Inhibition of Trypanosoma brucei TryR oxidoreductase activity using TS2 as substrate by spectrophotometric assay
50014005	1	ChEMBL_2115357 (CHEMBL4824298)	Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay
50014005	2	ChEMBL_2115358 (CHEMBL4824299)	Inhibition of VEGFR-2 (unknown origin) incubated for 40 mins by HTRF assay
50014005	3	ChEMBL_2115402 (CHEMBL4824343)	Inhibition of Pyk2 (unknown origin) measured after 40 mins by HTRF
50014005	4	ChEMBL_2115403 (CHEMBL4824344)	Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF
50014005	5	ChEMBL_2115404 (CHEMBL4824345)	Inhibition of TRKB (unknown origin) measured after 40 mins by HTRF
50014005	6	ChEMBL_2115405 (CHEMBL4824346)	Inhibition of TRKC (unknown origin) measured after 40 mins by HTRF
50014005	7	ChEMBL_2115406 (CHEMBL4824347)	Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF
50014005	8	ChEMBL_2115407 (CHEMBL4824348)	Inhibition of JAK3 (unknown origin) measured after 40 mins by HTRF
50014005	9	ChEMBL_2115408 (CHEMBL4824349)	Inhibition of TYK2 (unknown origin) measured after 40 mins by HTRF
50014006	1	ChEMBL_2115435 (CHEMBL4824376)	Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus infected cells incubated for 60 mins by TR-FRET based LanthaScreen Eu kinase binding assay
50014006	2	ChEMBL_2115437 (CHEMBL4824378)	Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kinase assay
50014006	3	ChEMBL_2115455 (CHEMBL4824396)	Inhibition of rat recombinant DYRK1A expressed in Escherichia coli using RRRFRPASPLRGPPK as substrate by ADP-Glo kinase assay
50014007	1	ChEMBL_2115462 (CHEMBL4824403)	Inhibition of Bacillus anthracis edema factor by cell free assay
50014009	1	ChEMBL_2115472 (CHEMBL4824413)	Inhibition of human full-length recombinant HDAC1 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay
50014009	2	ChEMBL_2115473 (CHEMBL4824414)	Inhibition of human full-length recombinant HDAC2 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay
50014009	3	ChEMBL_2115474 (CHEMBL4824415)	Inhibition of human full-length recombinant HDAC3 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay
50014009	4	ChEMBL_2115475 (CHEMBL4824416)	Inhibition of human full-length recombinant HDAC6 preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay
50014009	5	ChEMBL_2115476 (CHEMBL4824417)	Inhibition of human full-length recombinant C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells preincubated for 5 mins followed by HDAC substrate addition and further incubated for 45 mins by fluorescence microplate reader assay
50014009	6	ChEMBL_2115481 (CHEMBL4824422)	Inhibition of FAK (unknown origin) by FRET-based Z'-Lyte assay
50014011	1	ChEMBL_2115513 (CHEMBL4824454)	Inhibition of human biotinylated amyloid beta (1 to 42) oligomerization measured after 1 hr by ELISA
50014013	1	ChEMBL_2115571 (CHEMBL4824512)	Inhibition of autophosphorylation of EGFR (unknown origin) by Cell free assay
50014014	1	ChEMBL_2115579 (CHEMBL4824520)	Binding affinity to human ERalpha LBD measured after 2 hrs by by competitive fluorometric binding assay
50014014	2	ChEMBL_2115580 (CHEMBL4824521)	Binding affinity to human ERbeta LBD measured after 2 hrs by competitive fluorometric binding assay
50014015	1	ChEMBL_2115586 (CHEMBL4824527)	Inhibition of Keap1-Nrf2 (unknown origin) interaction measured after 60 mins by Fluorescence polarization assay
50014016	1	ChEMBL_2115650 (CHEMBL4824591)	Inhibition of human cytomegalovirus pUL89 endonuclease activity using 60 bp dsDNA substrate incubated for 30 mins by ELISA-based biochemical assay
50014019	1	ChEMBL_2115840 (CHEMBL4824781)	Activation of GLP1R (unknown origin) CRE-bla expressed in CHO-K1 cells assessed as receptor potency incubated for 1 hrs by time resolved fluorescence resonance energy transfer immunoassay
50014019	2	ChEMBL_2115843 (CHEMBL4824784)	Binding affinity to GLP1R (unknown origin) assessed as dissociation rate constant by surface plasmon resonance analysis
50014020	1	ChEMBL_2115914 (CHEMBL4824855)	Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by flourescence assay
50014020	2	ChEMBL_2115922 (CHEMBL4824863)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50014020	3	ChEMBL_2115923 (CHEMBL4824864)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50014020	4	ChEMBL_2115924 (CHEMBL4824865)	Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate
50014020	5	ChEMBL_2115925 (CHEMBL4824866)	Inhibition of APN (unknown origin) using Ala-AMC as substrate
50014020	6	ChEMBL_2115928 (CHEMBL4824869)	Inhibition of ERAP1 (unknown origin) using L-Rho-(D)-Q as substrate
50014020	7	ChEMBL_2115929 (CHEMBL4824870)	Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-KARKF as substrate
50014020	8	ChEMBL_2115930 (CHEMBL4824871)	Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate
50014020	9	ChEMBL_2115931 (CHEMBL4824872)	Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-AFKARKF as substrate
50014021	1	ChEMBL_2115935 (CHEMBL4824876)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells preincubated for 2 hrs followed by recombinant human IFNgamma stimulation and measured after 18 hrs by fluorescence based microplate reader assay
50014021	2	ChEMBL_2115936 (CHEMBL4824877)	Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured after 18 hrs by fluorescence based microplate reader assay
50014021	3	ChEMBL_2115940 (CHEMBL4824881)	Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs by Rapid-fire mass spectrometry analysis
50014021	4	ChEMBL_2115952 (CHEMBL4824893)	Transactivation of PXR (unknown origin)
50014021	5	ChEMBL_2115953 (CHEMBL4824894)	Inhibition of human CYP2C9
50014021	6	ChEMBL_2115954 (CHEMBL4824895)	Inhibition of human CYP2C8
50014021	7	ChEMBL_2115955 (CHEMBL4824896)	Inhibition of human CYP2C19
50014021	8	ChEMBL_2115956 (CHEMBL4824897)	Inhibition of hERG (unknown origin)
50014028	1	ChEMBL_2115998 (CHEMBL4824939)	Inhibition of PU-H71-FITC3 binding to recombinant full length TRAP1 (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50014028	2	ChEMBL_2115999 (CHEMBL4824940)	Inhibition of PU-H71-FITC3 binding to recombinant N-terminal HSP90alpha (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50014028	3	ChEMBL_2116000 (CHEMBL4824941)	Inhibition of PU-H71-FITC3 binding to recombinant N-terminal Grp94 (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50014031	1	ChEMBL_2116010 (CHEMBL4824951)	Inhibition of Axl (unknown origin) by cell free assay
50014031	2	ChEMBL_2116011 (CHEMBL4824952)	Inhibition of Mer (unknown origin) by cell free assay
50014031	3	ChEMBL_2116013 (CHEMBL4824954)	Inhibition of Axl in mouse BaF3 cells
50014031	4	ChEMBL_2116014 (CHEMBL4824955)	Inhibition of Mer in mouse BaF3 cells
50014033	1	ChEMBL_2116037 (CHEMBL4824978)	Competitive inhibition of recombinant human Cdc25B (351 to 380 residues) assessed as hydrolysis of substrate O-methylfluorescein phosphate by Lineweaver-Burk plot analysis
50014035	1	ChEMBL_2116041 (CHEMBL4824982)	Inhibition of human PDHK2 assessed as reduction in acetyl-coenzymeA formation by RapidFire mass spectrometry
50014035	2	ChEMBL_2116042 (CHEMBL4824983)	Inhibition of human PDHK4 assessed as reduction in acetyl-coenzymeA formation by RapidFire mass spectrometry
50014035	3	ChEMBL_2116044 (CHEMBL4824985)	Inhibition of human PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45 mins followed by ATP addition and then later incubated with substrate for 90 mins by absorption spectrophotometric assay
50014035	4	ChEMBL_2116045 (CHEMBL4824986)	Inhibition of human PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45 mins followed by ATP addition and then later incubated with substrate for 90 mins by absorption spectrophotometric assay
50014035	5	ChEMBL_2116048 (CHEMBL4824989)	Inhibition of human PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45 mins followed by ATP addition and then later incubated with substrate for 90 mins by absorption spectrophotometric assay
50014035	6	ChEMBL_2116049 (CHEMBL4824990)	Inhibition of human PDHK3 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45 mins followed by ATP addition and then later incubated with substrate for 90 mins by absorption spectrophotometric assay
50014035	7	ChEMBL_2116050 (CHEMBL4824991)	Inhibition of human recombinant BCKDK incubated for 60 mins by ADP-Glo kinase assay
50014036	1	ChEMBL_2116056 (CHEMBL4824997)	Inhibition of PI3Kdelta (unknown origin)
50014036	2	ChEMBL_2116057 (CHEMBL4824998)	Inhibition of PI3Kalpha (unknown origin)
50014036	3	ChEMBL_2116058 (CHEMBL4824999)	Inhibition of PI3Kbeta (unknown origin)
50014036	4	ChEMBL_2116059 (CHEMBL4825000)	Inhibition of PI3Kgamma (unknown origin)
50014037	1	ChEMBL_2116072 (CHEMBL4825013)	Displacement of [3H]spiperone from human D2 receptor transfected in HEK293 cell membrane measured after 50 mins by competitive radioligand binding analysis
50014037	2	ChEMBL_2116073 (CHEMBL4825014)	Displacement of [3H]spiperone from human D3 receptor transfected in HEK293 cell membrane measured after 50 mins by competitive radioligand binding analysis
50014037	3	ChEMBL_2116083 (CHEMBL4825024)	Partial agonist activity at D3 receptor (unknown origin)
50014039	1	ChEMBL_2116084 (CHEMBL4825025)	Binding affinity to N-terminal His tagged EphA4 LBD (unknown origin) (29 to 209 residues) expressed in Rosetta-Gami B(DE3) cells by isothermal titration calorimetry
50014039	2	ChEMBL_2116086 (CHEMBL4825027)	Binding affinity to N-terminal His tagged EphA3 LBD (unknown origin) expressed in Rosetta-Gami B(DE3) cells by isothermal titration calorimetry
50014041	3	ChEMBL_2116201 (CHEMBL4825142)	Inhibition of recombinant human AChE expressed in HEK293 cells by Ellman's method
50014041	4	ChEMBL_2116204 (CHEMBL4825145)	Inhibition of recombinant equine BChE by Ellman's method
50014042	1	ChEMBL_2116254 (CHEMBL4825195)	Inhibition of ALDH1A1 (unknown origin) assessed as inhibition of propionaldehyde oxidation
50014042	2	ChEMBL_2116255 (CHEMBL4825196)	Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry
50014042	3	ChEMBL_2116257 (CHEMBL4825198)	Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry
50014042	4	ChEMBL_2116258 (CHEMBL4825199)	Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry
50014042	5	ChEMBL_2116259 (CHEMBL4825200)	Inhibition of human ALDH2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry
50014042	6	ChEMBL_2116260 (CHEMBL4825201)	Inhibition of human ALDH3A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometry
50014043	1	ChEMBL_2116281 (CHEMBL4825222)	Inhibition of N-terminal GST-tagged human recombinant C-KIT V654A mutant (544 to end residues) using GGMEDIYEFMGGKKK as substrate measured after 40 mins in presence of [gamma-33P]ATP by scintillation counting analysis
50014044	1	ChEMBL_2116283 (CHEMBL4825224)	Inhibition of biotinylated KRAS G12C/C51S/C80L/C118S mutant (unknown origin) pretreated for 60 mins followed by recombinant SOS addition by SOS-catalyzed nucleotide exchange-based TR-FRET analysis
50014046	1	ChEMBL_2116285 (CHEMBL4825226)	Inhibition of TAF1 bromodomain 2 (unknown origin) by TR-FRET assay
50014046	2	ChEMBL_2116289 (CHEMBL4825230)	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50014046	3	ChEMBL_2116290 (CHEMBL4825231)	Inhibition of ATAD2 (unknown origin) by TR-FRET assay
50014046	4	ChEMBL_2116293 (CHEMBL4825234)	Inhibition of human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50014046	5	ChEMBL_2116294 (CHEMBL4825235)	Inhibition of human partial length BRD4 BD1 (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50014046	6	ChEMBL_2116296 (CHEMBL4825237)	Inhibition of human partial length BRD4 BD2 (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50014046	7	ChEMBL_2116297 (CHEMBL4825238)	Inhibition of human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50014046	8	ChEMBL_2116298 (CHEMBL4825239)	Inhibition of human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system measured by BROMOscan assay
50014046	9	ChEMBL_2116299 (CHEMBL4825240)	Inhibition of human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50014046	10	ChEMBL_2116300 (CHEMBL4825241)	Inhibition of human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50014046	11	ChEMBL_2116301 (CHEMBL4825242)	Displacement of Halo-tagged histone H4 from NanoLuc-tagged TAF1 bromodomain 2 (unknown origin) expressed in HEK293 cells measured after 4 to 6 hrs by NanoBRET assay
50014046	12	ChEMBL_2116303 (CHEMBL4825244)	Inhibition of BRD4 BD2 (unknown origin) measured by TR-FRET assay
50014046	13	ChEMBL_2116304 (CHEMBL4825245)	Displacement of tetra-acetylated H4 peptide from GST-tagged TAF1 bromodomain 2 (unknown origin) incubated for 3 hrs by HTRF assay
50014046	14	ChEMBL_2116305 (CHEMBL4825246)	Binding affinity to wild type TAF1 (unknown origin)
50014048	1	ChEMBL_2116313 (CHEMBL4825254)	Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells assessed as suppression of pioglitazone-induced PPAR response element driven firefly luciferase activity measured after 24 hrs by dual luciferase reporter assay
50014051	1	ChEMBL_2116373 (CHEMBL4825314)	Inhibition of CYP3A4 (unknown origin)
50014051	2	ChEMBL_2116374 (CHEMBL4825315)	Inhibition of CYP1A2 (unknown origin)
50014051	3	ChEMBL_2116380 (CHEMBL4825321)	Inhibition of Akt (unknown origin)
50014051	4	ChEMBL_2116382 (CHEMBL4825323)	Inhibition of human ERG by patch clamp assay
50014051	5	ChEMBL_2116385 (CHEMBL4825326)	Inhibition of CYP2B6 (unknown origin)
50014051	6	ChEMBL_2116386 (CHEMBL4825327)	Inhibition of CYP2C8 (unknown origin)
50014051	7	ChEMBL_2116387 (CHEMBL4825328)	Inhibition of CYP2C9 (unknown origin)
50014051	8	ChEMBL_2116388 (CHEMBL4825329)	Inhibition of CYP2C19 (unknown origin)
50014051	9	ChEMBL_2116389 (CHEMBL4825330)	Inhibition of CYP2D6 (unknown origin)
50014052	1	ChEMBL_2116440 (CHEMBL4825381)	Inhibition of SNM1A (unknown origin) by real time fluorescence assay
50014054	1	ChEMBL_2116448 (CHEMBL4825389)	Inhibition of human 15-LOX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	2	ChEMBL_2116449 (CHEMBL4825390)	Competitive inhibition of human 15-LOX-2 assessed as equilibrium dissociation constant from catalytic site by measuring 15-HpETE by Dixon plots and Dixon replots analysis
50014054	3	ChEMBL_2116451 (CHEMBL4825392)	Inhibition of human 15-LOX-1 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	4	ChEMBL_2116452 (CHEMBL4825393)	Inhibition of human 12-LOX assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	5	ChEMBL_2116453 (CHEMBL4825394)	Inhibition of human 5-LOX assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	6	ChEMBL_2116454 (CHEMBL4825395)	Inhibition of mouse 15-LOX2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	7	ChEMBL_2116455 (CHEMBL4825396)	Inhibition of human recombinant COX-1 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	8	ChEMBL_2116456 (CHEMBL4825397)	Inhibition of human recombinant COX-2 assessed as enzymatic rate using arachidonic acid as substrate by UV/Vis spectrophotometric analysis
50014054	9	ChEMBL_2116461 (CHEMBL4825402)	Inhibition of human 15-LOX-2 expressed in HEK293T cells assessed as a reduction in 15-HETE production using arachidonic acid as substrate incubated for 20 mins
50014055	1	ChEMBL_2116478 (CHEMBL4825419)	Inhibition of ZIKV NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-Gly-Arg-Arg-AMC as substrate by FRET assay
50014055	2	ChEMBL_2116481 (CHEMBL4825422)	Inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-Gly-Arg-Arg-AMC as substrate by FRET assay
50014055	3	ChEMBL_2116501 (CHEMBL4825442)	Binding affinity to DENV2 NS2B-NS3 protease by Dixon plot analysis
50014056	1	ChEMBL_2116523 (CHEMBL4825464)	Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorimetric assay
50014056	2	ChEMBL_2116524 (CHEMBL4825465)	Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins by fluorimetric assay
50014056	3	ChEMBL_2116525 (CHEMBL4825466)	Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated for 30 mins by fluorimetric assay
50014057	1	ChEMBL_2116566 (CHEMBL4825507)	Agonist activity at Gal4-fused human FXR expressed in HEK293 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence assay
50014057	2	ChEMBL_2116567 (CHEMBL4825508)	Agonist activity at His-tagged human FXR LBD assessed as induction of coactivator SRC-1 peptide recruitment measured after 30 mins by plate reader analysis
50014057	3	ChEMBL_2116570 (CHEMBL4825511)	Inhibition of CYP2C8 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH regenerating system and measured after 2 hrs by fluorescence based analysis
50014057	4	ChEMBL_2116571 (CHEMBL4825512)	Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH regenerating system by fluorescence based analysis
50014057	5	ChEMBL_2116576 (CHEMBL4825517)	Antagonist activity at human RORgammaT co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by Steady-Glo luciferase reporter based luminescence analysis
50014057	6	ChEMBL_2116577 (CHEMBL4825518)	Antagonist activity at human RORalpha (272 to 557 residues) co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by Steady-Glo luciferase reporter based luminescence analysis
50014057	7	ChEMBL_2116578 (CHEMBL4825519)	Activation of PPARalpha LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo luciferase reporter gene based luminescence analysis
50014057	8	ChEMBL_2116579 (CHEMBL4825520)	Activation of PPARgamma LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo luciferase reporter gene based luminescence analysis
50014057	9	ChEMBL_2116580 (CHEMBL4825521)	Activation of PPARdelta LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo luciferase reporter gene based luminescence analysis
50014057	10	ChEMBL_2116581 (CHEMBL4825522)	Activation of human LXRalpha co-expressed with TK-luciferase reporter in African green monkey CV-1 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence analysis
50014057	11	ChEMBL_2116582 (CHEMBL4825523)	Activation of human LXRbeta co-expressed with TK-luciferase reporter in African green monkey CV-1 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence analysis
50014057	12	ChEMBL_2116583 (CHEMBL4825524)	Activation of androgen receptor (unknown origin) by fluorescence polarization based competition assay
50014057	13	ChEMBL_2116584 (CHEMBL4825525)	Activation of estrogen receptor alpha (unknown origin) by fluorescence polarization based competition assay
50014057	14	ChEMBL_2116585 (CHEMBL4825526)	Activation of glucocorticoid receptor (unknown origin) by fluorescence polarization based competition assay
50014057	15	ChEMBL_2116586 (CHEMBL4825527)	Activation of progesterone receptor (unknown origin) by fluorescence polarization based competition assay
50014057	16	ChEMBL_2116604 (CHEMBL4825545)	Agonist activity at human RORalpha (272 to 557 residues) co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by Steady-Glo luciferase reporter based luminescence analysis
50014057	17	ChEMBL_2116605 (CHEMBL4825546)	Displacement of [3H]25-hydroxycholesterol from human N-terminal His-tagged RORgammaT LBD (262 to 508 residues) expressed in Escherichia coli preincubated for 10 mins followed by addition [3H]25-OH cholesterol and measured after 10 mins by scintillation proximity assay
50014058	1	ChEMBL_2116616 (CHEMBL4825557)	Inhibition of recombinant porcine PREP expressed in Escherichia coli using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by multilabel counter analysis
50014059	1	ChEMBL_2116620 (CHEMBL4825561)	Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis
50014059	2	ChEMBL_2116622 (CHEMBL4825563)	Inhibition of RIOK2 in human VCaP cells after 48 hrs by Western blotting analysis
50014066	1	ChEMBL_2116631 (CHEMBL4825572)	Binding affinity to human galectin-1 assessed as dissociation constant by competitive fluorescence polarization assay
50014066	2	ChEMBL_2116632 (CHEMBL4825573)	Binding affinity to human galectin-2 assessed as dissociation constant by competitive fluorescence polarization assay
50014066	3	ChEMBL_2116633 (CHEMBL4825574)	Binding affinity to human galectin-3 assessed as dissociation constant by competitive fluorescence polarization assay
50014066	4	ChEMBL_2116634 (CHEMBL4825575)	Binding affinity to human galectin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014066	5	ChEMBL_2116635 (CHEMBL4825576)	Binding affinity to human galectin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014066	6	ChEMBL_2116637 (CHEMBL4825578)	Binding affinity to human galectin-8 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014066	7	ChEMBL_2116638 (CHEMBL4825579)	Binding affinity to human galectin-8 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014066	8	ChEMBL_2116639 (CHEMBL4825580)	Binding affinity to human galectin-9 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014066	9	ChEMBL_2116640 (CHEMBL4825581)	Binding affinity to human galectin-9 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014068	1	ChEMBL_2116663 (CHEMBL4825604)	Binding affinity to wild type CXCL12 (unknown origin) by NMR spectroscopy
50014069	1	ChEMBL_2116664 (CHEMBL4825605)	Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method
50014069	2	ChEMBL_2116673 (CHEMBL4825614)	Binding affinity to mu opioid receptor (unknown origin)
50014069	3	ChEMBL_2116688 (CHEMBL4825629)	Inhibition of human ERG
50014070	1	ChEMBL_2116695 (CHEMBL4825636)	Inhibition of gp120 in HIV-1 AD8 infected in dog Cf2Th-CD4/CCR5 cells assessed as inhibition of viral entry incubated for 30 mins prior to infection and and further incubated for 48 to 72 hrs in presence of firefly D-luciferin free acid and ATP by single-round infection luciferase assay
50014070	2	ChEMBL_2116698 (CHEMBL4825639)	Inhibition of gp120 in HIV-1 pseudotyped with A-MLV envelop glycoprotein infected in dog Cf2Th-CD4/CCR5 cells assessed as inhibition of viral entry incubated for 30 mins prior to infection and and further incubated for 48 to 72 hrs in presence of firefly D-luciferin free acid and ATP by single-round infection luciferase assay
50014070	3	ChEMBL_2116699 (CHEMBL4825640)	Inhibition of gp120 in HIV-1 A4 infected in dog Cf2Th-CD4/CCR5 cells assessed as inhibition of viral entry incubated for 30 mins prior to infection and and further incubated for 48 to 72 hrs in presence of firefly D-luciferin free acid and ATP by single-round infection luciferase assay
50014070	4	ChEMBL_2116700 (CHEMBL4825641)	Inhibition of gp120 in HIV-1 191084 infected in dog Cf2Th-CD4/CCR5 cells assessed as inhibition of viral entry incubated for 30 mins prior to infection and and further incubated for 48 to 72 hrs in presence of firefly D-luciferin free acid and ATP by single-round infection luciferase assay
50014074	1	ChEMBL_2116701 (CHEMBL4825642)	Displacement of Alexa Fluor 647 labelled UNC10245092 peptide from CIB1 (unknown origin) preincubated for 20 mins followed by Alexa-CIB1 phage peptide addition and measured after 20 to 30 mins by TR-FRET assay
50014074	2	ChEMBL_2116702 (CHEMBL4825643)	Binding affinity to full length CIB1 (unknown origin) at 300 uM by isothermal titration calorimetry
50014077	1	ChEMBL_2116717 (CHEMBL4825783)	Inhibition of recombinant human JAK2 (808 to end residues) KTFCGTPEYLAPE as substrate measured after 40 mins in presence of [gamm33P]ATP by scintillation counting based radiometry assay
50014077	2	ChEMBL_2116718 (CHEMBL4825784)	Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014077	3	ChEMBL_2116720 (CHEMBL4825786)	Inhibition of human JAK1 (866 to end residues) using GEEPLYWSFPAKKK as substrate after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014077	4	ChEMBL_2116721 (CHEMBL4825787)	Inhibition of recombinant human JAK3 (781 to end residues) using GGEEEEYFELVKKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014077	5	ChEMBL_2116726 (CHEMBL4825792)	Inhibition of TYK2/JAK1 signaling pathway in human whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation incubated for 60 mins followed by IFN-alpha addition and measured after 20 mins by fluorescence assay
50014077	6	ChEMBL_2116727 (CHEMBL4825793)	Inhibition of JAK2/TYK2 signaling pathway in human whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation incubated for 60 mins followed by IL-12 addition and measured after 20 mins by fluorescence assay
50014077	7	ChEMBL_2116728 (CHEMBL4825794)	Inhibition of JAK2/TYK2 signaling pathway in human whole blood assessed as reduction in IL-23 induced STAT3 phosphorylation incubated for 60 mins followed by IL-23 addition and measured after 20 mins by fluorescence assay
50014077	8	ChEMBL_2116729 (CHEMBL4825795)	Inhibition of JAK1/JAK3 signaling pathway in human whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation incubated for 60 mins followed by IL-21 addition and measured after 20 mins by fluorescence assay
50014077	9	ChEMBL_2116730 (CHEMBL4825796)	Inhibition of JAK1/JAK2 signaling pathway in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation incubated for 60 mins followed by IL-27 addition and measured after 20 mins by fluorescence assay
50014078	1	ChEMBL_2116770 (CHEMBL4825836)	Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay
50014078	2	ChEMBL_2116771 (CHEMBL4825837)	Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay
50014078	3	ChEMBL_2116772 (CHEMBL4825838)	Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay
50014078	4	ChEMBL_2116773 (CHEMBL4825839)	Inhibition of recombinant human CA12 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay
50014081	1	ChEMBL_2116814 (CHEMBL4825880)	Inhibition of ABCG2 (unknown origin) expressed in MDCK2-BCRP cells preincubated for 30 mins followed by Hoechst 33342 addition and measured at 60 secs time interval for 120 mins by fluorescence assay
50014081	2	ChEMBL_2116815 (CHEMBL4825881)	Inhibition of ABCC1 (unknown origin) expressed in H69AR cells assessed as reduction in daunorubicin accumulation after 180 mins by flow cytometry analysis
50014081	3	ChEMBL_2116816 (CHEMBL4825882)	Inhibition of ABCB1 (unknown origin) expressed in A2780/ADR cells preincubated for 30 mins followed by Hoechst 33342 addition and measured at 60 secs time interval for 120 mins by fluorescence assay
50014081	4	ChEMBL_2116817 (CHEMBL4825883)	Inhibition of ABCB1 (unknown origin) expressed in A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs time interval by fluorescence assay
50014081	5	ChEMBL_2116818 (CHEMBL4825884)	Inhibition of ABCC1 (unknown origin) expressed in H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time interval by fluorescence assay
50014081	6	ChEMBL_2116819 (CHEMBL4825885)	Inhibition of ABCG2 (unknown origin) expressed in MDCK2-BCRP cells assessed as reduction in pheophorbide A accumulation measured after 120 mins by flow cytometric analysis
50014083	1	ChEMBL_2116840 (CHEMBL4825906)	Inhibition of Respiratory syncytial virus A2 fusion protein expressed in HEK293T cells harboring GAL4-NF-kappaB assessed as reduction in cell-cell fusion by luciferase assay
50014083	2	ChEMBL_2116908 (CHEMBL4825974)	Inhibition of Respiratory syncytial virus fusion protein
50014084	1	ChEMBL_2116910 (CHEMBL4825976)	Inhibition of benzmarone-stimulated MRP3 ATPase activity (unknown origin) in presence of GSH
50014084	2	ChEMBL_2116911 (CHEMBL4825977)	Inhibition of sulfasalazine-stimulated MRP2 ATPase activity (unknown origin) in presence of GSH
50014084	3	ChEMBL_2116912 (CHEMBL4825978)	Inhibition of sulfasalazine-stimulated BCRP ATP ase activity (unknown origin)
50014084	4	ChEMBL_2116913 (CHEMBL4825979)	Inhibition of NEM-GS-stimulated MRP1 ATPase activity (unknown origin) in presence of GSH
50014084	5	ChEMBL_2116914 (CHEMBL4825980)	Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin)
50014084	6	ChEMBL_2116922 (CHEMBL4825988)	Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as cell growth inhibition after 3 days in presence of 200 nM paclitaxel by MTT assay
50014084	7	ChEMBL_2116923 (CHEMBL4825989)	Inhibition of P-gp (unknown origin) expressed in MCF7 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring reduction in paclitaxel EC50 at 50 nM incubated for 72 hrs in presence of paclitaxel by SRB assay (Rvb = 11.5 nM)
50014084	8	ChEMBL_2116924 (CHEMBL4825990)	Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by measuring reduction in paclitaxel EC50 at 50 nM incubated for 72 hrs in presence of paclitaxel by SRB assay (Rvb = 294.6 nM)
50014084	9	ChEMBL_2116946 (CHEMBL4826012)	Inhibition of P-gp in human Caco-2 cells assessed as reduction in paclitaxel efflux pre-incubated for 30 mins and measured after 120 mins by LC-MS/MS analysis
50014085	1	ChEMBL_2117143 (CHEMBL4826209)	Inhibition of human ERG expressed in HEK cells at -80 mV holding potential by patch clamp assay relative to control
50014086	1	ChEMBL_2117177 (CHEMBL4826243)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative to control
50014086	2	ChEMBL_2117178 (CHEMBL4826244)	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative to control
50014086	3	ChEMBL_2117183 (CHEMBL4826249)	Antagonist activity at human CB2 receptor expressed in CHO cell membrane assessed as reduction in CP55940-induced [35S]GTPgammaS binding by liquid scintillation spectrophotometry
50014087	1	ChEMBL_2117190 (CHEMBL4826256)	Competitive inhibition of human HGPRT by Morrison method
50014089	1	ChEMBL_2117193 (CHEMBL4826259)	Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins
50014089	2	ChEMBL_2117196 (CHEMBL4826262)	Binding affinity to coagulation factor 7a (unknown origin) assessed as inhibition constant using CH3SO2-D-CHA-But-Arg-pNA,ACOH as substrate preincubated for 10 mins followed by substrate addition and further incubated for 10 mins
50014089	3	ChEMBL_2117197 (CHEMBL4826263)	Binding affinity to coagulation factor 10a (unknown origin) assessed as inhibition constant using CH3OCO-D-CHA-Gly-Arg-pNA,ACOH as substrate preincubated for 10 mins followed by substrate addition
50014089	4	ChEMBL_2117199 (CHEMBL4826265)	Binding affinity to plasma kallikrein (unknown origin) assessed as inhibition constant using D-Pro-Phe,Arg,pNa,2HCl as substrate preincubated for 10 mins followed by substrate addition
50014093	1	ChEMBL_2117264 (CHEMBL4826330)	Inhibition of wild type HIV-1 NL4-3 reverse transcriptase using random mRNA as template and GADPH as primer measured at 42 degreeC for 5 mins, 95 degreeC for 10sec and 60 degreeC for 60 sec by qRT-PCR analysis
50014093	2	ChEMBL_2117265 (CHEMBL4826331)	Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50014095	1	ChEMBL_2117270 (CHEMBL4826336)	Inhibition of human recombinant LSD1 by horseradish peroxidase-coupled fluorometric assay
50014095	2	ChEMBL_2117271 (CHEMBL4826337)	Inhibition of N-terminal FLAG-tagged human recombinant MAO-A expressed in baculovirus-infected Sf9 cells by flow cytometry
50014095	3	ChEMBL_2117272 (CHEMBL4826338)	Inhibition of N-terminal FLAG-tagged human recombinant MAO-B expressed in baculovirus-infected Sf9 cells by flow cytometry
50014095	4	ChEMBL_2117294 (CHEMBL4826360)	Inhibition of LSD1 (unknown origin)
50014095	5	ChEMBL_2117310 (CHEMBL4826376)	Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 using H3K4me2 peptide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50014097	1	ChEMBL_2117330 (CHEMBL4826396)	Binding affinity to STAT3 (unknown origin) by SRB assay
50014098	1	ChEMBL_2117492 (CHEMBL4826558)	Inhibition of human COX2 assessed as fluorescence by microplate reader
50014100	1	ChEMBL_2117575 (CHEMBL4826641)	Inhibition of TNFalpha-induced IKKbeta mediated NF-kappaB activation in human Pancreatic cancer cells by luciferase reporter gene assay
50014101	1	ChEMBL_2117619 (CHEMBL4826685)	Positive allosteric modulator activity at human alpha7 nAChR expressed in Flp-In-HEK293 cells co-expressing RIC-3 assessed as potentiation of PNU282987-induced calcium influx measured after 10 mins by FLIPR assay
50014101	2	ChEMBL_2117635 (CHEMBL4826701)	Inhibition of human ERG channel expressed in CHO cells measured after 7 to 10 mins at -80 mV holding potential by whole cell patch clamp assay
50014101	3	ChEMBL_2117669 (CHEMBL4826735)	Positive allosteric modulation of human alpha7 nAChR expressed in HEK293 cells assessed as increase in peak current amplitude measured after 6 to 10 mins at -80 mV holding potential by automated whole cell patch clamp analysis
50014102	1	ChEMBL_2117704 (CHEMBL4826770)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured after 7 mins by Ellman's method
50014102	2	ChEMBL_2117705 (CHEMBL4826771)	Inhibition of recombinant human BuChe using S-butyrylthiocholine iodide as substrate measured after 7 mins by Ellman's method
50014105	1	ChEMBL_2117724 (CHEMBL4826790)	Inhibition of MMP9 (unknown origin) by colorimetric assay
50014105	2	ChEMBL_2117725 (CHEMBL4826791)	Inhibition of MAO-A (unknown origin) by multi-well spectrophotometry
50014105	3	ChEMBL_2117726 (CHEMBL4826792)	Inhibition of MAO-B (unknown origin) by fluorometric assay
50014106	1	ChEMBL_2117895 (CHEMBL4826961)	Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid scintillation counting spectrometry
50014107	1	ChEMBL_2117945 (CHEMBL4827011)	Agonist activity at human RORgammat LBD expressed in HEK293T cells incubated for 16 to 20 hrs by Gal4-luciferase reporter gene assay
50014107	2	ChEMBL_2117946 (CHEMBL4827012)	Agonist activity at europium-labeled human RORgammat LBD assessed as induction of XL665-labeled co-activator SRC1 recruitment incubated for 1 hr by dual FRET assay
50014107	3	ChEMBL_2117948 (CHEMBL4827014)	Inverse agonist activity at RORgammat in C57 mouse CD4+ T cells cells assessed as inhibition of Th17 cells differentiation by measuring decrease in IL17 production measured after 4 days by flow cytometry analysis
50014107	4	ChEMBL_2117951 (CHEMBL4827017)	Agonist activity at RORgammat in C57 mouse CD4+ T cells cells assessed as induction of Th17 cells differentiation by measuring increase in IL17 production measured after 4 days by flow cytometry analysis
50014107	5	ChEMBL_2117953 (CHEMBL4827019)	Agonist activity at ROR-gammat (unknown origin) by dual FRET assay
50014107	6	ChEMBL_2117954 (CHEMBL4827020)	Agonist activity at N-terminal GST-fused human RORgammat (259 to 518 residues) expressed in Escherichia coli BL21(DE3) by FRET assay
50014107	7	ChEMBL_2117955 (CHEMBL4827021)	Inverse agonist activity at europium-labeled human RORgammat LBD assessed as inhibition of XL665-labeled co-activator SRC1 recruitment incubated for 1 hr by dual FRET assay
50014108	1	ChEMBL_2117957 (CHEMBL4827023)	Partial agonist activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in pG5 luc and pBIND transfected HEK293T cells assessed as transcriptional activation incubated for 12 hrs by fluorescence based luciferase assay
50014108	2	ChEMBL_2117959 (CHEMBL4827025)	Binding affinity to GAL4-DBD-fused PPARgamma ligand binding domain (unknown origin) expressed in HEK293T cells by spectra-fluorophotometry analysis
50014108	3	ChEMBL_2117960 (CHEMBL4827026)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by microplate reader assay
50014111	1	ChEMBL_2118105 (CHEMBL4827171)	Inhibition of recombinant human N-terminal GST-tagged NSD2 CD (941 to 1240 residues) expressed in Escherichia coli using SAM as substrate in presence of nucleosomes by AlphaLISA method
50014111	2	ChEMBL_2118106 (CHEMBL4827172)	Inhibition of NSD2 E1009K mutant (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	3	ChEMBL_2118107 (CHEMBL4827173)	Inhibition of NSD1 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	4	ChEMBL_2118108 (CHEMBL4827174)	Inhibition of SETD2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	5	ChEMBL_2118109 (CHEMBL4827175)	Inhibition of EZH2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by HTRF method
50014111	6	ChEMBL_2118110 (CHEMBL4827176)	Inhibition of MLLI (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by HTRF method
50014111	7	ChEMBL_2118111 (CHEMBL4827177)	Inhibition of MLL4 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by HTRF method
50014111	8	ChEMBL_2118112 (CHEMBL4827178)	Inhibition of DOT1L (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	9	ChEMBL_2118113 (CHEMBL4827179)	Inhibition of PRMT4 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	10	ChEMBL_2118114 (CHEMBL4827180)	Inhibition of PRMT5 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by AlphaLISA method
50014111	11	ChEMBL_2118198 (CHEMBL4827264)	Binding affinity to MMSET (973 to 1203 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 by ITC analysis
50014111	12	ChEMBL_2118199 (CHEMBL4827265)	Inhibition of NSD2 (953 to 1240 residues) (unknown origin) using SAM as substrate in presence of nucleosome by AlphaScreen assay
50014111	13	ChEMBL_2118200 (CHEMBL4827266)	Inhibition of NSD2 (unknown origin)
50014111	14	ChEMBL_2118201 (CHEMBL4827267)	Inhibition of human NSD1-SET using histone H3.1 as substrate incubated for 1 hr by Western blot analysis
50014111	15	ChEMBL_2118202 (CHEMBL4827268)	Inhibition of human NSD2-SET using histone H3.1 as substrate incubated for 1 hr by Western blot analysis
50014111	16	ChEMBL_2118203 (CHEMBL4827269)	Inhibition of human NSD3-SET using histone H3.1 as substrate incubated for 1 hr by Western blot analysis
50014112	1	ChEMBL_2118204 (CHEMBL4827270)	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50014112	2	ChEMBL_2118205 (CHEMBL4827271)	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50014112	3	ChEMBL_2118206 (CHEMBL4827272)	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50014112	4	ChEMBL_2118207 (CHEMBL4827273)	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50014113	1	ChEMBL_2118243 (CHEMBL4827309)	Inverse agonist activity at RORalpha in mouse NIH3T3 cells incubated for 24 hrs by luminescence based assay
50014113	2	ChEMBL_2118267 (CHEMBL4827333)	Binding affinity to RORalpha (unknown origin) by surface plasmon resonance (SPR) sensor assay
50014117	1	ChEMBL_2118271 (CHEMBL4827337)	Inhibition of EGFR (unknown origin) by ADP-Glo kinase assay
50014118	1	ChEMBL_2118283 (CHEMBL4827349)	Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50014118	2	ChEMBL_2118286 (CHEMBL4827352)	Antagonist activity at estrogen receptor in human T47D cells incubated for 18 hrs by ultra high sensitivity luminescence reporter gene assay
50014118	3	ChEMBL_2118300 (CHEMBL4827366)	Reversible inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50014118	4	ChEMBL_2118301 (CHEMBL4827367)	Reversible inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition by LC/MS/MS analysis
50014118	5	ChEMBL_2118302 (CHEMBL4827368)	Reversible inhibition of CYP2C9 in human liver microsomes using (s)-warfarin as substrate preincubated for 30 mins followed by NADPH addition by LC/MS/MS analysis
50014118	6	ChEMBL_2118303 (CHEMBL4827369)	Reversible inhibition of CYP2C19 in human liver microsomes using (S)-Mephenytoin as substrate preincubated for 40 mins followed by NADPH addition by LC/MS/MS analysis
50014118	7	ChEMBL_2118310 (CHEMBL4827376)	Inhibition of human ERG expressed in HEK293 cells incubated for 5 mins by patch clamp assay
50014119	1	ChEMBL_2118375 (CHEMBL4827441)	Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD1/BD2 Y390A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50014119	2	ChEMBL_2118376 (CHEMBL4827442)	Displacement of Alexa Fluor 647 labelled ligand from 6His-tagged BRD4 BD2/BD1 Y97A mutant (1 to 477 residue) (unknown origin) measured after 30 mins by TR-FRET assay
50014119	3	ChEMBL_2118378 (CHEMBL4827444)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD1/BD2 Y348A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50014119	4	ChEMBL_2118379 (CHEMBL4827445)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD3 BD2/BD1 Y73A mutant (1 to 435 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50014119	5	ChEMBL_2118381 (CHEMBL4827447)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD1/BD2 Y386A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50014119	6	ChEMBL_2118382 (CHEMBL4827448)	Displacement of Alexa Fluor 647 labelled ligand from 6His-Thr tagged BRD2 BD2/BD1 Y113A mutant (1 to 473 residues) (unknown origin) measured after 30 mins by TR-FRET assay
50014120	1	ChEMBL_2118497 (CHEMBL4827563)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as substrate preincubated for 5 mins followed by substrate addition by Amplex Red reagent based fluorescence analysis
50014120	2	ChEMBL_2118498 (CHEMBL4827564)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells assessed as inhibition of H2O2 production using kynuramine as substrate preincubated for 5 mins followed by substrate addition by Amplex Red reagent based fluorescence analysis
50014121	1	ChEMBL_2118505 (CHEMBL4827571)	Inhibition of human CAMKK2 using CAMKKtide as substrate assessed as residual activity by [gamma-33P]-ATP assay relative to control
50014121	2	ChEMBL_2118550 (CHEMBL4827616)	Inhibition of NanoLuc-fused CAMKK2 (unknown origin) expressed in HEK293 cells after 24 hrs by NanoBRET assay
50014121	3	ChEMBL_2118551 (CHEMBL4827617)	Inhibition of human CAMKK1 using CAMKKtide as substrate assessed as residual activity by [gamma-33P]-ATP assay relative to control
50014121	4	ChEMBL_2118554 (CHEMBL4827620)	Inhibition of CAMKK2 in human LNCaP C4-2 cells assessed as reduction AMPK phosphorylation at Thr172 incubated for 24 hrs by Western blot analysis
50014123	1	ChEMBL_2118555 (CHEMBL4827621)	Inhibition of METTL3 (unknown origin) using 3' biotinylated RNA (UCUGGACUAAA) and 3H-SAM as a substrate preincubated for 5 mins followed by substrate addition incubated for 30 mins by scintillation counting method
50014123	2	ChEMBL_2118556 (CHEMBL4827622)	Inhibition of METTL3-mediated m6A methylation in human MOLM-3 cells assessed as reduction in mRNA level measured after 24 hrs by LC-MS/MS analysis
50014125	1	ChEMBL_2118557 (CHEMBL4827623)	Inhibition of Kinase tracer 236 binding to GST-tagged truncated human LRRK2 G2019S (970 to 2527 residues) mutant using fluorescein labeled LRRKtide peptide as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins in presence of ATP at Km concentration by TR-FRET Lanthascreen assay
50014127	1	ChEMBL_2118558 (CHEMBL4827624)	Inhibition of recombinant human ATX using LPC as substrate incubated for 2 hrs by RapidFire autosampler system
50014131	1	ChEMBL_2118562 (CHEMBL4827628)	Inhibition of human full length PDE3A expressed in Sf9 cells measured after 60 mins by [3H]-cAMP Scintillation proximity assay
50014131	2	ChEMBL_2118563 (CHEMBL4827629)	Inhibition of human full length PDE3B expressed in Sf9 cells measured after 60 mins by [3H]-cAMP Scintillation proximity assay
50014134	1	ChEMBL_2118564 (CHEMBL4827630)	Inhibition of DGAT2 in human hepatocytes using [14C]-glycerol as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by thin layer chromatography
50014135	1	ChEMBL_2118567 (CHEMBL4827633)	Inhibition of recombinant human GOX expressed in Escherichia coli C41 (DE3) using glycolate as substrate preincubated for 10 mins followed by substrate addition measured by Amplex red and horseradish peroxidase based fluorescence assay
50014135	2	ChEMBL_2118568 (CHEMBL4827634)	Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyruvate and NADPH addition
50014135	3	ChEMBL_2118569 (CHEMBL4827635)	Inhibition of recombinant mouse LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyruvate and NADPH addition
50014135	4	ChEMBL_2118570 (CHEMBL4827636)	Inhibition of LDHA in wild type CD1 mouse primary hepatocyte assessed as inhibition of lactate production using pyruvate as substrate measured after 30 mins by LC-MS analysis
50014135	5	ChEMBL_2118571 (CHEMBL4827637)	Inhibition of recombinant mouse GOX expressed in Escherichia coli C41 (DE3) using glycolate as substrate preincubated for 10 mins followed by substrate addition measured by Amplex red and horseradish peroxidase based fluorescence assay
50014135	6	ChEMBL_2118577 (CHEMBL4827643)	Inhibition of pig HAO1 in presence of NADH by spectrometry analysis
50014135	7	ChEMBL_2118578 (CHEMBL4827644)	Non competitive inhibition of mouse glycolate oxidase in hyperoxaluric-Agxt knockdown mouse primary hepatocyte assessed as reduction in oxalate production in the presence of glycolate measured upto 72 hrs by enzymatic assay
50014135	8	ChEMBL_2118579 (CHEMBL4827645)	Inhibition of human glycolate oxidase expressed in Escherichia coli using glycolate as substrate by DCIP dye based spectrophotometry analysis
50014135	9	ChEMBL_2118580 (CHEMBL4827646)	Competitive inhibition of recombinant human LDHA in the presence of NADH by resazurin dye reduction method
50014136	1	ChEMBL_2118581 (CHEMBL4827647)	Inhibition of human ATX assessed as reduction in LPA formation using FS-3 as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by FRET assay
50014136	2	ChEMBL_2118613 (CHEMBL4827679)	Inhibition of CYP3A4 in human liver microsomes incubated for 15 mins in presence of NADPH by LC-MS/MS analysis
50014136	3	ChEMBL_2118614 (CHEMBL4827680)	Inhibition of CYP1A2 in human liver microsomes incubated for 15 mins in presence of NADPH by LC-MS/MS analysis
50014136	4	ChEMBL_2118615 (CHEMBL4827681)	Inhibition of CYP2C19 in human liver microsomes incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50014136	5	ChEMBL_2118616 (CHEMBL4827682)	Inhibition of CYP2C9 in human liver microsomes incubated for 15 mins in presence of NADPH by LC-MS/MS analysis
50014136	6	ChEMBL_2118617 (CHEMBL4827683)	Inhibition of CYP2D6 in human liver microsomes incubated for 15 mins in presence of NADPH by LC-MS/MS analysis
50014136	7	ChEMBL_2118640 (CHEMBL4827706)	Inhibition of LPA in human plasma after 18 hrs by LC-MS/MS analysis
50014136	8	ChEMBL_2118641 (CHEMBL4827707)	Inhibition of LPA in rat plasma after 18 hrs by LC-MS/MS analysis
50014136	9	ChEMBL_2118648 (CHEMBL4827714)	Inhibition of S1P1 (unknown origin)
50014136	10	ChEMBL_2118649 (CHEMBL4827715)	Inhibition of S1P2 (unknown origin)
50014136	11	ChEMBL_2118650 (CHEMBL4827716)	Inhibition of S1P3 (unknown origin)
50014136	12	ChEMBL_2118651 (CHEMBL4827717)	Inhibition of S1P4 (unknown origin)
50014136	13	ChEMBL_2118652 (CHEMBL4827718)	Inhibition of S1P5 (unknown origin)
50014136	14	ChEMBL_2118653 (CHEMBL4827719)	Inhibition of LPA1 (unknown origin)
50014136	15	ChEMBL_2118654 (CHEMBL4827720)	Inhibition of LPA2 (unknown origin)
50014136	16	ChEMBL_2118655 (CHEMBL4827721)	Inhibition of LPA3 (unknown origin)
50014136	17	ChEMBL_2118656 (CHEMBL4827722)	Inhibition of LPA5 (unknown origin)
50014136	18	ChEMBL_2118657 (CHEMBL4827723)	Inhibition of human ERG by automated patch-clamp assay
50014137	1	ChEMBL_2118685 (CHEMBL4827751)	Binding affinity to human Gal-1 assessed as inhibition of Gal-1 binding to immobilized asialofetuin pretreated with Gal-1 for 2 hrs followed by incubation with asialofetuin for 2 hrs by competitive solid phase assay
50014137	2	ChEMBL_2118687 (CHEMBL4827753)	Binding affinity to human Gal-1 assessed as dissociation constant by isothermal titration calorimetry
50014138	1	ChEMBL_2118695 (CHEMBL4827761)	Inhibition of GlpG in Escherichia coli BL21 assessed as inhibition of FP-Rh labeling treated with compound for 30 mins prior to FP-Rh addition by competitive ABPP based analysis
50014138	2	ChEMBL_2118696 (CHEMBL4827762)	Inhibition of human PARL transfected in HEK293T cell membrane assessed as inhibition of FP-Rh labeling treated with compound for 30 mins prior to FP-Rh addition by competitive ABPP based analysis
50014142	1	ChEMBL_2118712 (CHEMBL4827778)	Inhibition of PLD3 (unknown origin) using 3'-dT-MUP as substrate by fluorescence-based screening assay
50014142	2	ChEMBL_2118713 (CHEMBL4827779)	Inhibition of PLD4 (unknown origin) using 3'-dT-MUP as substrate by fluorescence-based screening assay
50014142	3	ChEMBL_2118714 (CHEMBL4827780)	Activation of PLD3 (unknown origin) using 3'-dT-MUP as substrate by fluorescence-based screening assay
50014142	4	ChEMBL_2118715 (CHEMBL4827781)	Activation of PLD4 (unknown origin) using 3'-dT-MUP as substrate by fluorescence-based screening assay
50014142	5	ChEMBL_2118724 (CHEMBL4827790)	Inhibition of PLD3 (unknown origin) using 3'-dT-nNPP as substrate by fluorescence-based screening assay
50014142	6	ChEMBL_2118725 (CHEMBL4827791)	Inhibition of PLD4 (unknown origin) using 3'-dT-nNPP as substrate by fluorescence-based screening assay
50014142	7	ChEMBL_2118727 (CHEMBL4827793)	Activation of PLD3 (unknown origin) using 3'-dT-nNPP as substrate by fluorescence-based screening assay
50014143	1	ChEMBL_2118729 (CHEMBL4827795)	Displacement of fluorophore-labeled RIOK1 from human PRMT5/WDR77 hetero octameric complex expressed in Sf9 cells by competition fluorescence polarization (FP) assay
50014143	2	ChEMBL_2118734 (CHEMBL4827800)	Displacement of fluorophore-labeled RIOK1 from human PRMT5/WDR77 hetero octameric complex expressed in Sf9 cells measured up to 4 hrs at10 mins time interval competition fluorescence polarization (FP) assay
50014143	3	ChEMBL_2118741 (CHEMBL4827807)	Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis
50014143	4	ChEMBL_2118743 (CHEMBL4827809)	Activity at human wild type PRMT5/HA-tagged WDR77 hetero octameric complex expressed in HEK293 (Expi293) cells assessed as PRMT5 adduct formation incubated for 6 hrs by LC-MS analysis
50014143	5	ChEMBL_2118744 (CHEMBL4827810)	Disruption of human N-terminal SmBiT peptide-tagged PRMT5/ N-terminal LgBiT tagged RIOK1 complex expressed in permeabilized HEK293T cells by NanoBiT assay
50014144	1	ChEMBL_2118778 (CHEMBL4827844)	Inhibition of PKA-theta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay
50014144	2	ChEMBL_2118779 (CHEMBL4827845)	Inhibition of PKA-delta (unknown origin) using Fam-labelled S6-derived peptide incubated for 2 hrs by TR-FRET assay
50014144	3	ChEMBL_2118780 (CHEMBL4827846)	Inhibition of PKC-alpha (unknown origin)
50014144	4	ChEMBL_2118793 (CHEMBL4827859)	Inhibition of CYP2C9 in human liver microsome
50014144	5	ChEMBL_2118794 (CHEMBL4827860)	Inhibition of CYP2C19 in human liver microsome
50014144	6	ChEMBL_2118795 (CHEMBL4827861)	Inhibition of human ERG
50014144	7	ChEMBL_2118797 (CHEMBL4827863)	Inhibition of histamine H1 receptor (unknown origin)
50014144	8	ChEMBL_2118798 (CHEMBL4827864)	Inhibition of PKC-theta in PBMC isolated from human leukocyte reduction system white blood cells isolated assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014144	9	ChEMBL_2118799 (CHEMBL4827865)	Inhibition of PKC-theta in PBMC isolated from human leukocyte whole blood assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014144	10	ChEMBL_2118800 (CHEMBL4827866)	Inhibition of PKC-theta in human whole blood assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014144	11	ChEMBL_2118801 (CHEMBL4827867)	Inhibition of PKC-theta in human mixed lymphocyte reaction assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014144	12	ChEMBL_2118802 (CHEMBL4827868)	Inhibition of PKC-theta in mouse whole blood assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014144	13	ChEMBL_2118803 (CHEMBL4827869)	Inhibition of PKC-theta in mouse mixed lymphocyte reaction assessed as reduction in anti-CD3/CD28-stimulated IL-2 expression measured for 20 hrs
50014146	1	ChEMBL_2118817 (CHEMBL4827883)	Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in Ach-induced current at -90 mV membrane potential by two electrode voltage-clamp assay
50014146	2	ChEMBL_2118843 (CHEMBL4827909)	Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in 100 uM Ach-induced current at -90 mV membrane potential by two electrode voltage-clamp assay
50014146	3	ChEMBL_2118862 (CHEMBL4827928)	Positive allosteric modulation of human alpha7 nAChR in human IMR-32 cells assessed as calcium flux by FLIPR assay
50014146	4	ChEMBL_2118863 (CHEMBL4827929)	Positive allosteric modulation of human alpha7 nAChR expressed in rat GH4-C1 cells assessed as calcium flux by FLIPR assay
50014146	5	ChEMBL_2118864 (CHEMBL4827930)	Positive allosteric modulation of human alpha7 nAChR expressed in HEK293 cells by patch clamp electrophysiology
50014150	1	ChEMBL_2118865 (CHEMBL4827931)	Inhibition of TLR4 (unknown origin) by sandwich ELISA method
50014151	1	ChEMBL_2118880 (CHEMBL4827946)	Mixed type inhibition of equine serum BuChE by double reciprocal analysis
50014151	2	ChEMBL_2118881 (CHEMBL4827947)	Inhibition of electric eel AChE by Ellman's method
50014151	3	ChEMBL_2118882 (CHEMBL4827948)	Inhibition of equine serum BuChE by Ellman's method
50014152	1	ChEMBL_2118937 (CHEMBL4828003)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50014152	2	ChEMBL_2118938 (CHEMBL4828004)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50014153	1	ChEMBL_2118941 (CHEMBL4828007)	Inhibition of human recombinant FLAG-tagged HDAC1 expressed in HEK293F cells incubated for 30 mins by Fluor De Lys assay
50014153	2	ChEMBL_2118942 (CHEMBL4828008)	Inhibition of human recombinant FLAG-tagged HDAC2 expressed in Sf9 cells incubated for 30 mins by Fluor De Lys assay
50014153	3	ChEMBL_2118943 (CHEMBL4828009)	Inhibition of human recombinant FLAG-tagged HDAC3 expressed in HEK293F cells incubated for 30 mins by Fluor De Lys assay
50014153	4	ChEMBL_2118944 (CHEMBL4828010)	Inhibition of human HDAC6 incubated for 30 mins by Fluor De Lys assay
50014154	1	ChEMBL_2118946 (CHEMBL4828012)	Inhibition of human full length HDAC6 expressed in baculovirus expression system using FAM-RHKK(Ac)-NH2 as substrate incubated for 5 hrs by Calmer endpoint assay
50014156	1	ChEMBL_2118948 (CHEMBL4828014)	Inhibition of human TLR7 in HEK-Blue hTLR7 cells assessed as reduction in gardiquimod-activated NF-KappaB by SEAP reporter assay
50014156	2	ChEMBL_2118949 (CHEMBL4828015)	Inhibition of human TLR8 in HEK-Blue hTLR8 cells assessed as reduction in R848-activated NF-KappaB by SEAP reporter assay
50014156	3	ChEMBL_2118950 (CHEMBL4828016)	Inhibition of human TLR9 in HEK-Blue hTLR9 cells assessed as reduction in ODN2006-activated NF-KappaB by SEAP reporter assay
50014157	1	ChEMBL_2118954 (CHEMBL4828020)	Antagonist activity at human TRPA1 expressed in CHO cells measured by calcium based FLIPR assay
50014157	2	ChEMBL_2118955 (CHEMBL4828021)	Antagonist activity at rat TRPA1
50014158	1	ChEMBL_2118974 (CHEMBL4828040)	Binding affinity to MAPK14 (unknown origin) by fluorescence imaging/AlphaLISA based thermal shit assay
50014158	2	ChEMBL_2118975 (CHEMBL4828041)	Binding affinity to HiBiT-tagged MAPK14 (unknown origin) assessed as shift in melting/aggregation temperature by luminescence based BiTSA assay
50014158	3	ChEMBL_2118976 (CHEMBL4828042)	Binding affinity to MAPK14 (unknown origin) measured after 5 to 6 hrs incubation by AlphaLISA based thermal shit assay
50014160	1	ChEMBL_2119091 (CHEMBL4828157)	Inhibition of MER (unknown origin) by LC-MS analysis
50014160	2	ChEMBL_2119092 (CHEMBL4828158)	Inhibition of AXL (unknown origin) by LC-MS analysis
50014160	3	ChEMBL_2119093 (CHEMBL4828159)	Inhibition of FLT3 (unknown origin) by LC-MS analysis
50014160	4	ChEMBL_2119094 (CHEMBL4828160)	Inhibition of FLAG-tagged MER (unknown origin) transfected in Cos-7cells assessed as phosphorylation level incubated for 1 hr by ELISA
50014160	5	ChEMBL_2119095 (CHEMBL4828161)	Inhibition of FLAG-tagged AXL (unknown origin) transfected in Cos-7 cells assessed as phosphorylation level incubated for 1 hr by ELISA
50014160	6	ChEMBL_2119096 (CHEMBL4828162)	Inhibition of FLAG-tagged FLT3 (unknown origin) transfected in Cos-7 cells assessed as phosphorylation level incubated for 1 hr by ELISA
50014160	7	ChEMBL_2119098 (CHEMBL4828164)	Inhibition of FLAG-tagged Tyro3 (unknown origin) transfected in Cos-7 cells assessed as phosphorylation level incubated for 1 hr by ELISA
50014162	1	ChEMBL_2119122 (CHEMBL4828188)	Inhibition of recombinant human N-terminal His6-tagged full length P110delta/full length untagged human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by HTRF assay
50014162	2	ChEMBL_2119123 (CHEMBL4828189)	Inhibition of recombinant human N-terminal His6-tagged full length P110alpha/full length untagged human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by HTRF assay
50014162	3	ChEMBL_2119124 (CHEMBL4828190)	Inhibition of recombinant human N-terminal His6-tagged full length P110beta/full length untagged human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by HTRF assay
50014162	4	ChEMBL_2119125 (CHEMBL4828191)	Inhibition of recombinant human N-terminal His6-tagged full length P120gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by HTRF assay
50014162	5	ChEMBL_2119126 (CHEMBL4828192)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in cytostim-stimulated IFNgamma production preincubated for 1 hr followed by cytostim stimulation and measured after 20 hrs by electrochemiluminescence assay
50014162	6	ChEMBL_2119132 (CHEMBL4828198)	Inhibition of PI3Kdelta in human HL-60 cell extract measured after 2 hrs by kinobeads based chemoproteomic competition binding assay
50014162	7	ChEMBL_2119133 (CHEMBL4828199)	Inhibition of VPS34 in human HL-60 cell extract measured after 2 hrs by kinobeads based chemoproteomic competition binding assay
50014162	8	ChEMBL_2119135 (CHEMBL4828201)	Inhibition of human ERG
50014166	1	ChEMBL_2119156 (CHEMBL4828222)	Binding affinity to 5FW-labeled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by BODIPY-BI2536 tracer based fluorescence assay
50014166	2	ChEMBL_2119157 (CHEMBL4828223)	Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay
50014166	3	ChEMBL_2119159 (CHEMBL4828225)	Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay
50014166	4	ChEMBL_2119171 (CHEMBL4828237)	Binding affinity to BPTF (unknown origin) by by BROMOscan method
50014166	5	ChEMBL_2119172 (CHEMBL4828238)	Binding affinity to PCAF (unknown origin) by BROMOscan method
50014166	6	ChEMBL_2119173 (CHEMBL4828239)	Binding affinity to GCN5L2 (unknown origin) by BROMOscan method
50014166	7	ChEMBL_2119174 (CHEMBL4828240)	Binding affinity to CECR2 (unknown origin) by BROMOscan method
50014166	8	ChEMBL_2119175 (CHEMBL4828241)	Binding affinity to BRD7 (unknown origin) by BROMOscan method
50014166	9	ChEMBL_2119176 (CHEMBL4828242)	Binding affinity to BRD9 (unknown origin) by BROMOscan method
50014166	10	ChEMBL_2119177 (CHEMBL4828243)	Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan method
50014167	1	ChEMBL_2119185 (CHEMBL4828251)	Inhibition of MKN1 (unknown origin) in presence of ATP by HTRF assay
50014167	2	ChEMBL_2119186 (CHEMBL4828252)	Inhibition of MKN2 (unknown origin) in presence of ATP by HTRF assay
50014167	3	ChEMBL_2119196 (CHEMBL4828262)	Inhibition of wild type human full length MKN1 (M1 to L424) expressed in mammalian expression system by HTRF method
50014167	4	ChEMBL_2119197 (CHEMBL4828263)	Inhibition of wild type human partial length MKN2 (G63 to S388 residues) expressed in mammalian expression system by HTRF method
50014167	5	ChEMBL_2119198 (CHEMBL4828264)	Inhibition of full length recombinant human PIM1 using KKRNRTLTV as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014167	6	ChEMBL_2119199 (CHEMBL4828265)	Inhibition of recombinant human Pim2 (2 to end residues) using RSRHSSYPAGT as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014167	7	ChEMBL_2119200 (CHEMBL4828266)	Inhibition of recombinant human Pim3 (2 to end residues) using RSRHSSYPAGT as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50014167	8	ChEMBL_2119201 (CHEMBL4828267)	Inhibition of recombinant human EGFR (696 to end residues) using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50014167	9	ChEMBL_2119202 (CHEMBL4828268)	Inhibition of recombinant human B-Raf (416 to end residues) using myelin as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation counting analysis
50014167	10	ChEMBL_2119203 (CHEMBL4828269)	Inhibition of ERBB2 (unknown origin) by mobility shift assay
50014167	11	ChEMBL_2119204 (CHEMBL4828270)	Inhibition of recombinant human EGFR T790M mutant (696 to end residues) using GGMEDIYFEFMGG as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation counting analysis
50014168	1	ChEMBL_2119282 (CHEMBL4828348)	Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) transfected in HEK293 cells incubated for 1.5 hrs by liquid scintillation counting
50014168	2	ChEMBL_2119283 (CHEMBL4828349)	Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as reduction in cAMP accumulation incubated for 30 mins by microplate reader analysis
50014168	3	ChEMBL_2119284 (CHEMBL4828350)	Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as reduction in beta-arrestin recruitment incubated for 22 hrs by bright-Glo reagent based Tango assay
50014168	4	ChEMBL_2119288 (CHEMBL4828354)	Binding affinity to 5HT1A receptor (unknown origin)
50014168	5	ChEMBL_2119289 (CHEMBL4828355)	Binding affinity to 5HT1B receptor (unknown origin)
50014168	6	ChEMBL_2119290 (CHEMBL4828356)	Binding affinity to 5HT1D receptor (unknown origin)
50014168	7	ChEMBL_2119291 (CHEMBL4828357)	Binding affinity to 5HT1E receptor (unknown origin)
50014168	8	ChEMBL_2119292 (CHEMBL4828358)	Binding affinity to 5HT2A receptor (unknown origin)
50014168	9	ChEMBL_2119293 (CHEMBL4828359)	Binding affinity to 5HT2B receptor (unknown origin)
50014168	10	ChEMBL_2119294 (CHEMBL4828360)	Binding affinity to 5HT2C receptor (unknown origin)
50014168	11	ChEMBL_2119295 (CHEMBL4828361)	Binding affinity to 5HT3 receptor (unknown origin)
50014168	12	ChEMBL_2119296 (CHEMBL4828362)	Binding affinity to 5HT4 receptor (unknown origin)
50014168	13	ChEMBL_2119297 (CHEMBL4828363)	Binding affinity to 5HT5A receptor (unknown origin)
50014168	14	ChEMBL_2119298 (CHEMBL4828364)	Binding affinity to 5HT6 receptor (unknown origin)
50014169	1	ChEMBL_2119335 (CHEMBL4828401)	Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometry
50014169	2	ChEMBL_2119341 (CHEMBL4828407)	Binding affinity to biotinylated human IL-17A by SPR analysis
50014169	3	ChEMBL_2119342 (CHEMBL4828408)	Binding affinity to biotinylated human IL-17A assessed as inhibition of IL-17A interaction with 1L-17RA by ELISA
50014171	1	ChEMBL_2119346 (CHEMBL4828412)	Inhibition of IDO1 in human HeLa cells
50014171	2	ChEMBL_2119347 (CHEMBL4828413)	Inhibition of IDO1 in IFNgamma/LPS stimulated human whole blood assessed as reduction in kynurenine production using tryptophan as substrate preincubated with compound for 15 mins followed by incubation with IFNgamma/LPS for overnight by LC/MS/MS analysis
50014174	1	ChEMBL_2119374 (CHEMBL4828440)	Antagonist activity at human TRPV4
50014175	1	ChEMBL_2119386 (CHEMBL4828452)	Displacement of Bak derived peptide from Bcl-2 (unknown origin) measured after 15 mins by microplate reader assay
50014175	2	ChEMBL_2119387 (CHEMBL4828453)	Displacement of Bak derived peptide from Bcl-xL (unknown origin) measured after 15 mins by microplate reader assay
50014176	1	ChEMBL_2119407 (CHEMBL4828473)	Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay
50014176	2	ChEMBL_2119409 (CHEMBL4828475)	Inhibition of BCRP (unknown origin) expressed in MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assay
50014176	3	ChEMBL_2119410 (CHEMBL4828476)	Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assay
50014176	4	ChEMBL_2119411 (CHEMBL4828477)	Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 cells assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assay
50014176	5	ChEMBL_2119416 (CHEMBL4828482)	Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as reversal of mitoxantrone resistance after 5 days by MTS/PMS assay
50014176	6	ChEMBL_2119417 (CHEMBL4828483)	Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of mitoxantrone resistance after 5 days by MTS/PMS assay
50014176	7	ChEMBL_2119418 (CHEMBL4828484)	Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 cells assessed as reversal of mitoxantrone resistance after 5 days by MTS/PMS assay
50014176	8	ChEMBL_2119438 (CHEMBL4828504)	Inhibition of BCRP (unknown origin) expressed in MEF3.8 cells assessed as reversal of topotecan resistance
50014177	1	ChEMBL_2119454 (CHEMBL4828520)	Inhibition of biotinylated H3K27Me3 peptide (19 to 33 residues) binding to His-tagged EED (1 to 441 residues) (unknown origin) preincubated for 15 mins followed by H3K27Me3 addition and measured after 30 mins by alphascreen competition binding assay
50014177	2	ChEMBL_2119457 (CHEMBL4828523)	Inhibition of CYP1A2 (unknown origin)
50014177	3	ChEMBL_2119458 (CHEMBL4828524)	Inhibition of CYP2B6 (unknown origin)
50014177	4	ChEMBL_2119459 (CHEMBL4828525)	Inhibition of CYP2C9 (unknown origin)
50014177	5	ChEMBL_2119460 (CHEMBL4828526)	Inhibition of CYP2C19 (unknown origin)
50014177	6	ChEMBL_2119461 (CHEMBL4828527)	Inhibition of CYP2D6 (unknown origin)
50014177	7	ChEMBL_2119462 (CHEMBL4828528)	Inhibition of CYP3A4 (unknown origin)
50014177	8	ChEMBL_2119466 (CHEMBL4828532)	Inhibition of human ERG expressed in HEK293 cells by manual-patch clamp assay
50014178	1	ChEMBL_2119479 (CHEMBL4828545)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation counting method
50014178	2	ChEMBL_2119480 (CHEMBL4828546)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by MicroBeta scintillation counting method
50014182	1	ChEMBL_2119486 (CHEMBL4828552)	Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB incubated for 3 days by fluorescence method
50014182	2	ChEMBL_2119488 (CHEMBL4828554)	Antagonist activity at androgen receptor in human LNCaP cells harboring eGFP/ARRIPB assessed as reduction in PSA level incubated for 3 days
50014183	1	ChEMBL_2119533 (CHEMBL4828599)	Inhibition of GDP-bound KRAS G12C mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS-mediated nucleotide exchange pretreated with KRAS for 5 mins followed by incubation with SOS (564 to 1049 residues) and GTP for 30 mins and later incubated with GST-tagged cRAF (1 to 149 residues) for 10 mins by AlphaLISA assay
50014183	2	ChEMBL_2119534 (CHEMBL4828600)	Inhibition of GDP-bound KRAS G12C mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS-mediated nucleotide exchange pretreated with KRAS for 20 hrs followed by incubation with SOS (564 to 1049 residues) and GTP for 30 mins and later incubated with GST-tagged cRAF (1 to 149 residues) for 10 mins by AlphaLISA assay
50014183	3	ChEMBL_2119535 (CHEMBL4828601)	Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in phosphorylated ERK1/2 level incubated for 2 hrs by MSD assay
50014184	1	ChEMBL_2119537 (CHEMBL4828603)	Inhibition of human PLK1 incubated for 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50014184	2	ChEMBL_2119538 (CHEMBL4828604)	Inhibition of human WEE1 using LSNLYHQGKFLQTFCGSPLYRRR peptide as substrate incubated for 40 mins in presence of [gamma-33P]ATP by scintillation counting method
50014185	1	ChEMBL_2119550 (CHEMBL4828616)	Displacement of [3H]-ketanserin from human 5-HT2A receptor incubated for 90 mins by scintillation counting analysis
50014186	1	ChEMBL_2119554 (CHEMBL4828620)	Inhibition of IDO1 in IFN-gamma induced human HeLa cells measured after 48 hrs by fluorescence assay
50014187	1	ChEMBL_2119556 (CHEMBL4828622)	Inhibition of recombinant human His-tagged BRD4 BD1 using biotin-labelled histone H4 acetylated peptide as substrate by TR-FRET assay
50014187	2	ChEMBL_2119557 (CHEMBL4828623)	Inhibition of recombinant human His-tagged BRD4 BD2 using biotin-labelled histone H4 acetylated peptide as substrate by TR-FRET assay
50014189	1	ChEMBL_2119558 (CHEMBL4828624)	Inhibition of HCV genotype 1b NS5A infected in HuH-7-Luc/Neo-ET cells assessed as reduction in viral replication measured by Luciferase reporter gene assay
50014189	2	ChEMBL_2119559 (CHEMBL4828625)	Inhibition of HCV genotype 1a NS5A infected in HuH-7-Luc/Neo-ET cells assessed as reduction in viral replication measured by Luciferase reporter gene assay
50014191	1	ChEMBL_2119597 (CHEMBL4828663)	Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen assay
50014191	2	ChEMBL_2119598 (CHEMBL4828664)	Inhibition of tracer 236 binding to recombinant human GST/His-tagged CDK11 (1 to 502 residues)/Cyclin C( 1 to 283 residues) expressed in insect cells by Lanthascreen assay
50014191	3	ChEMBL_2119599 (CHEMBL4828665)	Inhibition of human CDK8 in human Jurkat cells assessed as inhibition of STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot assay
50014191	4	ChEMBL_2119602 (CHEMBL4828668)	Inhibition of human wild type partial length STK16 (G11 to I305) expressed in bacterial expression system by Kinomescan method
50014198	1	ChEMBL_2119611 (CHEMBL4828677)	Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase as substrate by fluorescent microplate reader assay
50014198	2	ChEMBL_2119612 (CHEMBL4828678)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014198	3	ChEMBL_2119614 (CHEMBL4828680)	Inhibition of recombinant human C-terminal His-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014198	4	ChEMBL_2119615 (CHEMBL4828681)	Inhibition of recombinant human C-terminal His-tagged HDAC3 (1 to 428 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014198	5	ChEMBL_2119616 (CHEMBL4828682)	Inhibition of recombinant human N-terminal GST-tagged and C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in Sf9 insect cells using Nepsilon-Trifluoroacetyl L-lysine as substrate by fluorescent microplate reader assay
50014198	6	ChEMBL_2119617 (CHEMBL4828683)	Inhibition of recombinant human ful length N-terminal GST-tagged HDAC5 expressed in baculovirus expression system using Nepsilon-Trifluoroacetyl L-lysine as substrate by fluorescent microplate reader assay
50014198	7	ChEMBL_2119618 (CHEMBL4828684)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus expression system using Nepsilon-Trifluoroacetyl L-lysine as substrate by fluorescent microplate reader assay
50014198	8	ChEMBL_2119619 (CHEMBL4828685)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus expression system using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014198	9	ChEMBL_2119620 (CHEMBL4828686)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus expression system using Nepsilon-Trifluoroacetyl L-lysine substrate by fluorescent microplate reader assay
50014198	10	ChEMBL_2119621 (CHEMBL4828687)	Inhibition of recombinant human N-terminal FLAG-tagged HDAC10 (1 to 613 residues) expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014198	11	ChEMBL_2119622 (CHEMBL4828688)	Inhibition of recombinant human N-terminal His-tagged HDAC11 expressed in baculovirus expression system using Fluor de Lys deacetylase or Fluor de Lys Green deacetylase substrate by fluorescent microplate reader assay
50014200	1	ChEMBL_2119651 (CHEMBL4828798)	Inhibition of CDK2/Cyclin A (unknown origin)
50014200	2	ChEMBL_2119652 (CHEMBL4828799)	Inhibition of CDK7/Cyclin H (unknown origin)
50014200	3	ChEMBL_2119653 (CHEMBL4828800)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50014200	4	ChEMBL_2119654 (CHEMBL4828801)	Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzyme for 5 mins followed by substrate addition for 15 mins in presence of [gamma 32P-ATP] by radioactive kinase assay
50014200	5	ChEMBL_2119655 (CHEMBL4828802)	Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzyme for 5 mins followed by substrate addition for 15 mins in presence of [gamma 32P-ATP] by radioactive kinase assay
50014200	6	ChEMBL_2119691 (CHEMBL4828838)	Inhibition of ADP(ATP)-biotin probe binding to DNAPK in human Kelly cells incubated for 6 hrs by KiNativ profiling analysis
50014200	7	ChEMBL_2119692 (CHEMBL4828839)	Inhibition of ADP(ATP)-biotin probe binding to RSK2 domain 1 in human Kelly cells incubated for 6 hrs by KiNativ profiling analysis
50014201	1	ChEMBL_2119718 (CHEMBL4828865)	Inhibition of CNB (unknown origin) using p-NPP as substrate preincubated for 10 mins followed by substrate addition by spectrophotometry analysis
50014203	1	ChEMBL_2119722 (CHEMBL4828869)	Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50014203	2	ChEMBL_2119723 (CHEMBL4828870)	Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50014203	3	ChEMBL_2119724 (CHEMBL4828871)	Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50014203	4	ChEMBL_2119725 (CHEMBL4828872)	Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay
50014205	1	ChEMBL_2119759 (CHEMBL4828906)	Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and anti-Tag2-XL665 measured after 2 hrs in dark by HTRF assay
50014205	2	ChEMBL_2119765 (CHEMBL4828912)	Inhibition of PD1/PDL1 protein-protein interaction in human Jurkat cells overexpressing PD1 co-cultured with human Hep3B cells expressing PDL1 protein assessed as increase of TCR-mediated luminiscence measured after 6 hrs by NFAT reporter assay
50014206	1	ChEMBL_2119773 (CHEMBL4828920)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cell membrane incubated for 180 mins by microplate beta scintillation counting based radioligand inhibition assay
50014206	2	ChEMBL_2119774 (CHEMBL4828921)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK cell membrane incubated for 30 mins by microplate beta scintillation counting based radioligand inhibition assay
50014206	3	ChEMBL_2119775 (CHEMBL4828922)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cell membrane incubated for 30 mins by microplate beta scintillation counting based radioligand inhibition assay
50014206	4	ChEMBL_2119776 (CHEMBL4828923)	Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane incubated for 60 mins by microplate beta scintillation counting based radioligand inhibition assay
50014206	5	ChEMBL_2119780 (CHEMBL4828927)	Agonist activity at human adenosine A3 receptor transfected in CHO cells assessed as cAMP level measured after 35 mins by cAMP enzyme immunoassay
50014206	6	ChEMBL_2119783 (CHEMBL4828930)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by beta scintillation counting analysis
50014208	1	ChEMBL_2119796 (CHEMBL4828943)	Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Ac-peptide-AMC as substrate preincubated for 15 mins followed by addition of substrate and trypsin measured by flourescence assay
50014208	2	ChEMBL_2119797 (CHEMBL4828944)	Inhibition of HDAC2 (unknown origin)
50014208	3	ChEMBL_2119798 (CHEMBL4828945)	Inhibition of HDAC6 (unknown origin)
50014208	4	ChEMBL_2119799 (CHEMBL4828946)	Inhibition of ALK (unknown origin) preincubated for 10 mins followed by addition of substrate and ATP for 25 mins by caliper EZ reader method
50014208	5	ChEMBL_2119800 (CHEMBL4828947)	Inhibition of ALK L1196M mutant (unknown origin)
50014208	6	ChEMBL_2119801 (CHEMBL4828948)	Inhibition of ALK G1202R mutant (unknown origin)
50014210	1	ChEMBL_2119907 (CHEMBL4829054)	Inhibition of recombinant human MMP12 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	2	ChEMBL_2119908 (CHEMBL4829055)	Inhibition of recombinant human MMP10 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	3	ChEMBL_2119909 (CHEMBL4829056)	Inhibition of recombinant human MMP9 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	4	ChEMBL_2119910 (CHEMBL4829057)	Inhibition of recombinant human MMP8 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	5	ChEMBL_2119911 (CHEMBL4829058)	Inhibition of recombinant human MMP7 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	6	ChEMBL_2119912 (CHEMBL4829059)	Inhibition of recombinant human MMP3 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	7	ChEMBL_2119913 (CHEMBL4829060)	Inhibition of recombinant human MMP2 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	8	ChEMBL_2119914 (CHEMBL4829061)	Inhibition of recombinant human MMP1 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	9	ChEMBL_2119915 (CHEMBL4829062)	Inhibition of recombinant human MMP13 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	10	ChEMBL_2119916 (CHEMBL4829063)	Inhibition of recombinant human MMP14 using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as substrate measured every 5 mins for 2 hrs by FRET assay
50014210	11	ChEMBL_2119931 (CHEMBL4829078)	Inhibition of MMP13 (unknown origin) using APMA as substrate preincubated for 15 mins followed by substrate addition
50014210	12	ChEMBL_2119933 (CHEMBL4829080)	Inhibition of MMP13 (unknown origin)
50014213	1	ChEMBL_2119937 (CHEMBL4829084)	Inhibition of gp120 in HIV-1 subtype B #11578 harboring pseudotyped Env pWEAUd15.410.5017 infected in human TZM-bl cells assessed as reduction in viral infection pretreated for 30 mins before viral infection and measured after 3 days by luciferase based single cycle infection assay
50014213	2	ChEMBL_2119941 (CHEMBL4829088)	Inhibition of recombinant HIV1 reverse transcriptase by colorimetric assay
50014216	1	ChEMBL_2119945 (CHEMBL4829092)	Inhibition of RIP2 (unknown origin) by fluorescence polarization based binding assay
50014216	2	ChEMBL_2119946 (CHEMBL4829093)	Inhibition of VEGFR2 (unknown origin)
50014216	3	ChEMBL_2119947 (CHEMBL4829094)	Inhibition of EGFR (unknown origin)
50014216	4	ChEMBL_2119948 (CHEMBL4829095)	Inhibition of ALK5 (unknown origin)
50014216	5	ChEMBL_2119950 (CHEMBL4829097)	Inhibition of RIP2 (unknown origin)
50014216	6	ChEMBL_2119951 (CHEMBL4829098)	Inhibition of RIP2 (unknown origin) by biochemical assay
50014224	1	ChEMBL_2119976 (CHEMBL4829123)	Inhibition of recombinant GST-Xa-tagged human AAK1 (30 to 330 residues) using 5-FAM-labelled Alla-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incubated for 3 hrs in presence of ATP by electrophoretic analysis
50014224	2	ChEMBL_2119980 (CHEMBL4829127)	Binding affinity to AAK1 (unknown origin)
50014224	3	ChEMBL_2119981 (CHEMBL4829128)	Inhibition of JAK2 (unknown origin)
50014224	4	ChEMBL_2119982 (CHEMBL4829129)	Inhibition of AAK1 (unknown origin)
50014224	5	ChEMBL_2119983 (CHEMBL4829130)	Inhibition of JAK1 (unknown origin)
50014224	6	ChEMBL_2119984 (CHEMBL4829131)	Inhibition of human AAK1 expressed in HEK293 cells assessed as suppression of AP2 phosphorylation measured after 3 hrs by Western blot analysis
50014224	7	ChEMBL_2120014 (CHEMBL4829161)	Inhibition of wild-type human partial length BIKE (S34 to N329 residues) expressed in bacterial expression system by Kinomescan method
50014224	8	ChEMBL_2120015 (CHEMBL4829162)	Inhibition of wild-type human partial length CLK4 (R135 to K481 residues) expressed in bacterial expression system by Kinomescan method
50014224	9	ChEMBL_2120016 (CHEMBL4829163)	Inhibition of CRIK (unknown origin) by Kinomescan method
50014224	10	ChEMBL_2120017 (CHEMBL4829164)	Inhibition of wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method
50014224	11	ChEMBL_2120018 (CHEMBL4829165)	Inhibition of wild-type human partial length HASPIN (I452 to K798 residues) expressed in mammalian expression system by Kinomescan method relative to control
50014224	12	ChEMBL_2120019 (CHEMBL4829166)	Inhibition of wild-type human full length MKNK1 (M1 to L424 residues) expressed in mammalian expression system by Kinomescan method
50014224	13	ChEMBL_2120020 (CHEMBL4829167)	Inhibition of wild-type human partial length MKNK2 (G63 to S388 residues) expressed in mammalian expression system by Kinomescan method
50014224	14	ChEMBL_2120022 (CHEMBL4829169)	Inhibition of PKCtheta (unknown origin)
50014224	15	ChEMBL_2120023 (CHEMBL4829170)	Inhibition of wild-type human partial length PRKX (M1 to F358 residues) expressed in bacterial expression system by Kinomescan method
50014224	16	ChEMBL_2120024 (CHEMBL4829171)	Inhibition of alpha 2A adrenergic receptor (unknown origin)
50014224	17	ChEMBL_2120025 (CHEMBL4829172)	Inhibition of alpha 2C adrenergic receptor (unknown origin)
50014224	18	ChEMBL_2120026 (CHEMBL4829173)	Inhibition of mu opioid receptor (unknown origin)
50014224	19	ChEMBL_2120027 (CHEMBL4829174)	Inhibition of kappa opioid receptor (unknown origin)
50014224	20	ChEMBL_2120028 (CHEMBL4829175)	Inhibition of NET (unknown origin)
50014224	21	ChEMBL_2120029 (CHEMBL4829176)	Inhibition of SERT (unknown origin)
50014224	22	ChEMBL_2120091 (CHEMBL4829238)	Binding affinity to BIKE (unknown origin)
50014224	23	ChEMBL_2120092 (CHEMBL4829239)	Binding affinity to GAK (unknown origin)
50014225	1	ChEMBL_2120229 (CHEMBL4829376)	Inhibition of human 20S proteasome LMP2 using Ac-PAL-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay
50014225	2	ChEMBL_2120231 (CHEMBL4829378)	Inhibition of human 20S proteasome LMP7 using Ac-ANW-AMC as fluorogenic substrate measured every minute for 1 hr by fluorescence assay
50014225	3	ChEMBL_2120233 (CHEMBL4829380)	Inhibition of human 20S proteasome chymotrypsin-like activity in human RPMI-8226 cells using Suc-LLVY-AMC as fluorogenic substrate incubated for 3 hrs by fluorescence assay
50014225	4	ChEMBL_2120234 (CHEMBL4829381)	Inhibition of human 20S proteasome chymotrypsin-like activity in human RPMI-8226 cells overexpressing ABCB1 using Suc-LLVY-AMC as fluorogenic substrate incubated for 3 hrs by fluorescence assay
50014225	5	ChEMBL_2120236 (CHEMBL4829383)	Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluorescence assay
50014225	6	ChEMBL_2120237 (CHEMBL4829384)	Inhibition of human 20S proteasome LMP2 activity in human RPMI-8226 cells overexpressing ABCB1 using Ac-PAL-AMC as fluorogenic substrate incubated for 72 hrs by fluorescence assay
50014226	1	ChEMBL_2120336 (CHEMBL4829483)	Inhibition of wild type EGFR (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	2	ChEMBL_2120337 (CHEMBL4829484)	Inhibition of wild type EGFR L858R/T790M mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	3	ChEMBL_2120338 (CHEMBL4829485)	Inhibition of wild type EGFR Del E746/A750 mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	4	ChEMBL_2120339 (CHEMBL4829486)	Inhibition of wild type EGFR L858R mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	5	ChEMBL_2120340 (CHEMBL4829487)	Inhibition of wild type EGFR T790M mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	6	ChEMBL_2120341 (CHEMBL4829488)	Inhibition of wild type EGFR C797S mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014226	7	ChEMBL_2120342 (CHEMBL4829489)	Inhibition of wild type EGFR L858R/T790M/C797S mutant (unknown origin) pretreated with substrate for 10 mins followed by ATP addition measured after 60 mins by mobility shift assay
50014228	1	ChEMBL_2120423 (CHEMBL4829570)	Inhibition of human alpha1c/beta2a/alpha2delta1 Cav1.2 expressed in HEK293 cells assessed as time course of inhibition of membrane potential measured after washout with external solution by manual patch clamp technique
50014229	1	ChEMBL_2120430 (CHEMBL4829577)	Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by liquid scintillation spectrometry analysis
50014229	2	ChEMBL_2120433 (CHEMBL4829580)	Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptosome incubated for 10 mins followed by [3H]DA addition and measured after 20 mins by TopCount scintillation counting method
50014229	3	ChEMBL_2120447 (CHEMBL4829594)	Inhibition of human ERG
50014229	4	ChEMBL_2120448 (CHEMBL4829595)	Inhibition of CYP3A4 (unknown origin)
50014229	5	ChEMBL_2120449 (CHEMBL4829596)	Inhibition of CYP2C9 (unknown origin)
50014229	6	ChEMBL_2120450 (CHEMBL4829597)	Inhibition of CYP2D6 (unknown origin)
50014229	7	ChEMBL_2120451 (CHEMBL4829598)	Inhibition of CYP2C19 (unknown origin)
50014229	8	ChEMBL_2120452 (CHEMBL4829599)	Inhibition of CYP2B6 (unknown origin)
50014230	1	ChEMBL_2120455 (CHEMBL4829602)	Inhibition of rat intestinal sucrase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay
50014230	2	ChEMBL_2120456 (CHEMBL4829603)	Inhibition of rat intestinal isomaltase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay
50014230	3	ChEMBL_2120461 (CHEMBL4829608)	Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay
50014230	4	ChEMBL_2120477 (CHEMBL4829624)	Inhibition of Escherichia coli beta-glucuronidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol measured by spectrometric assay
50014230	5	ChEMBL_2120481 (CHEMBL4829628)	Inhibition of human alpha-glucosidase
50014232	1	ChEMBL_2120648 (CHEMBL4829795)	Activation of full length human sGC alpha1/beta1 subunit containing heme in ferric state expressed in Sf9 insect cells using cGMP as substrate incubated for 15 mins by [32P]GTP assay
50014233	1	ChEMBL_2120653 (CHEMBL4829800)	Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetric assay
50014233	2	ChEMBL_2120672 (CHEMBL4829819)	Inhibition of human aromatase using dibenzylfluorescein as a substrate preincubated with NADPH regenerating system for 10 mins followed by substrate addition incubated for 30 mins by fluorescence based analysis
50014233	3	ChEMBL_2120673 (CHEMBL4829820)	Inhibition of human aromatase in T47D measured after 24 hrs by ELISA
50014234	1	ChEMBL_2120696 (CHEMBL4829843)	Binding affinity to human survivin expressed in Escherichia coli BL21 assessed as dissociation constant measured by Surface plasmon resonance
50014235	1	ChEMBL_2120712 (CHEMBL4829859)	Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 mins
50014235	2	ChEMBL_2120713 (CHEMBL4829860)	Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated for 60 mins
50014235	3	ChEMBL_2120714 (CHEMBL4829861)	Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated for 60 mins
50014235	4	ChEMBL_2120723 (CHEMBL4829870)	Inhibition of Cathepsin B (unknown origin) using Z-Leu-Arg-AMC as substrate pretreated for 60 mins followed by substrate addition incubated for 30 mins
50014235	5	ChEMBL_2120724 (CHEMBL4829871)	Inhibition of Cathepsin L (unknown origin) using Z-Leu-Arg-AMC as substrate pretreated for 60 mins followed by substrate addition incubated for 30 mins
50014235	6	ChEMBL_2120725 (CHEMBL4829872)	Inhibition of Cathepsin S (unknown origin) using MCA-Arg-Pro-Lys-Pro-Val-Glu-NVAL-Trp-Arg-Lys-(DNP)-NH2 as substrate pretreated for 60 mins followed by substrate addition incubated for 30 mins
50014235	7	ChEMBL_2120726 (CHEMBL4829873)	Inhibition of Cathepsin K (unknown origin) using MCA-Arg-Pro-Lys-Pro-Val-Glu-NVAL-Trp-Arg-Lys-(DNP)-NH2 as substrate pretreated for 60 mins followed by substrate addition incubated for 30 mins
50014235	8	ChEMBL_2120727 (CHEMBL4829874)	Inhibition of recombinant human CYP1A2
50014235	9	ChEMBL_2120728 (CHEMBL4829875)	Inhibition of recombinant human CYP2D6
50014235	10	ChEMBL_2120729 (CHEMBL4829876)	Inhibition of recombinant human CYP3A4
50014235	11	ChEMBL_2120730 (CHEMBL4829877)	Inhibition of recombinant human CYP2C9
50014235	12	ChEMBL_2120731 (CHEMBL4829878)	Inhibition of recombinant human CYP2C19
50014236	1	ChEMBL_2120819 (CHEMBL4829966)	Binding affinity to 5FW-labelled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 19F-NMR spectra
50014236	2	ChEMBL_2120820 (CHEMBL4829967)	Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay
50014236	3	ChEMBL_2120822 (CHEMBL4829969)	Binding affinity to N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by SPR assay
50014236	4	ChEMBL_2120843 (CHEMBL4829990)	Displacement of Halo-tagged histone H4 from NanoLuc-tagged BPTF (unknown origin) expressed in HEK293 cells by NanoBRET assay
50014236	5	ChEMBL_2120854 (CHEMBL4830001)	Binding affinity to human BPTF by isothermal titration calorimetry
50014236	6	ChEMBL_2120855 (CHEMBL4830002)	Binding affinity to BPTF (unknown origin)
50014236	7	ChEMBL_2120856 (CHEMBL4830003)	Binding affinity to BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis
50014237	1	ChEMBL_2120877 (CHEMBL4830024)	Inhibition of N-terminal GST-tagged human AKT1 (104 to 408 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by mobility shift assay
50014237	2	ChEMBL_2120878 (CHEMBL4830025)	Inhibition of N-terminal GST-tagged human AKT2 (120 to 481 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by mobility shift assay
50014237	3	ChEMBL_2120888 (CHEMBL4830035)	Inhibition of AKT3 (unknown origin)
50014237	4	ChEMBL_2120890 (CHEMBL4830037)	Inhibition of PKCeta (unknown origin)
50014237	5	ChEMBL_2120891 (CHEMBL4830038)	Inhibition of PKCtheta (unknown origin)
50014237	6	ChEMBL_2120892 (CHEMBL4830039)	Inhibition of ROCK1 (unknown origin)
50014237	7	ChEMBL_2120893 (CHEMBL4830040)	Inhibition of RSK1 (unknown origin)
50014237	8	ChEMBL_2120894 (CHEMBL4830041)	Inhibition of P70S6K (unknown origin)
50014237	9	ChEMBL_2120895 (CHEMBL4830042)	Inhibition of SGK (unknown origin)
50014237	10	ChEMBL_2120896 (CHEMBL4830043)	Inhibition of MSK1 (unknown origin)
50014237	11	ChEMBL_2120897 (CHEMBL4830044)	Inhibition of PDK1 (unknown origin)
50014237	12	ChEMBL_2120898 (CHEMBL4830045)	Inhibition of TSSK1 (unknown origin)
50014237	13	ChEMBL_2120899 (CHEMBL4830046)	Inhibition of ABL (unknown origin)
50014237	14	ChEMBL_2120900 (CHEMBL4830047)	Inhibition of ALK (unknown origin)
50014237	15	ChEMBL_2120901 (CHEMBL4830048)	Inhibition of JNK2 (unknown origin)
50014237	16	ChEMBL_2120902 (CHEMBL4830049)	Inhibition of CHK1 (unknown origin)
50014237	17	ChEMBL_2120903 (CHEMBL4830050)	Inhibition of PI3Kalpha (unknown origin)
50014237	18	ChEMBL_2120904 (CHEMBL4830051)	Inhibition of CDK2 (unknown origin)
50014237	19	ChEMBL_2120905 (CHEMBL4830052)	Inhibition of Aurora A (unknown origin)
50014237	20	ChEMBL_2120906 (CHEMBL4830053)	Inhibition of JAK2 (unknown origin)
50014237	21	ChEMBL_2120929 (CHEMBL4830076)	Inhibition of CYP1A2 (unknown origin)
50014237	22	ChEMBL_2120930 (CHEMBL4830077)	Inhibition of CYP2C8 (unknown origin)
50014237	23	ChEMBL_2120931 (CHEMBL4830078)	Inhibition of CYP2C9 (unknown origin)
50014237	24	ChEMBL_2120932 (CHEMBL4830079)	Inhibition of CYP2D6 (unknown origin)
50014237	25	ChEMBL_2120933 (CHEMBL4830080)	Inhibition of CYP3A4 (unknown origin)
50014237	26	ChEMBL_2120934 (CHEMBL4830081)	Inhibition of CYP3A5 (unknown origin)
50014239	1	ChEMBL_2121006 (CHEMBL4830153)	Inhibition of full-length human N-terminal MAHHHHHH tagged-ERK2 expressed in Escherichia coli BL21 (DE3) using ATF2-GFP as substrate incubated for 30 mins in presence of ATP by TR-FRET assay
50014240	1	ChEMBL_2121102 (CHEMBL4830249)	Inhibition of CYP1A2 in human liver Microsome using phenacetin preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis
50014240	2	ChEMBL_2121112 (CHEMBL4830259)	Inhibition of CYP2C9 in human liver Microsome using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis
50014240	3	ChEMBL_2121113 (CHEMBL4830260)	Inhibition of CYP2C19 in human liver Microsome using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis
50014240	4	ChEMBL_2121114 (CHEMBL4830261)	Inhibition of CYP2D6 in human liver Microsome using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis
50014240	5	ChEMBL_2121115 (CHEMBL4830262)	Inhibition of CYP3A4 in human liver Microsome using midazolam as substrate preincubated for 10 mins followed by NADPH addition and further incubated for 10 mins as substrate by LC-MS/MS analysis
50014242	1	ChEMBL_2121158 (CHEMBL4830305)	Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition
50014242	2	ChEMBL_2121159 (CHEMBL4830306)	Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate addition
50014244	1	ChEMBL_2121245 (CHEMBL4830392)	Inhibition of human CDK4/cyclin-D1 using RB protein as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	2	ChEMBL_2121246 (CHEMBL4830393)	Inhibition of human CDK5/p25 using histone H1 as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	3	ChEMBL_2121247 (CHEMBL4830394)	Inhibition of human CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	4	ChEMBL_2121249 (CHEMBL4830396)	Inhibition of human CDK1/cyclinB using Histone H1 as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	5	ChEMBL_2121250 (CHEMBL4830397)	Inhibition of human CDK2/cyclinA using Histone H1 as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	6	ChEMBL_2121251 (CHEMBL4830398)	Inhibition of human CDK3/cyclinE using Histone H1 as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	7	ChEMBL_2121252 (CHEMBL4830399)	Inhibition of human CDK6/cyclin-D3 using RB protein as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	8	ChEMBL_2121253 (CHEMBL4830400)	Inhibition of human CDK7/cyclin-H using MBP as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	9	ChEMBL_2121254 (CHEMBL4830401)	Inhibition of human CDK8/cyclin C incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	10	ChEMBL_2121255 (CHEMBL4830402)	Inhibition of human CDK14/cyclin-Y using RB protein as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	11	ChEMBL_2121256 (CHEMBL4830403)	Inhibition of human CDK16/cyclin-Y using RB protein as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	12	ChEMBL_2121258 (CHEMBL4830405)	Inhibition of human CDK12/cyclin-K incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	13	ChEMBL_2121259 (CHEMBL4830406)	Inhibition of human CDK13/cyclin-K incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	14	ChEMBL_2121260 (CHEMBL4830407)	Inhibition of human ALK2 using casein as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	15	ChEMBL_2121261 (CHEMBL4830408)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	16	ChEMBL_2121262 (CHEMBL4830409)	Inhibition of human GSK3A using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	17	ChEMBL_2121263 (CHEMBL4830410)	Inhibition of human GSK3B using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	18	ChEMBL_2121264 (CHEMBL4830411)	Inhibition of human PKCalpha using ERMRPRKRQGSVRRRV as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014244	19	ChEMBL_2121265 (CHEMBL4830412)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs by [gamma-33P]-ATP assay
50014245	1	ChEMBL_2121405 (CHEMBL4830552)	Agonist activity at 5HT1F receptor (unknown origin) expressed in HEK293 cells measured after 60 mins by Fluo-4AM dye based FLIPR assay
50014245	2	ChEMBL_2121429 (CHEMBL4830576)	Binding affinity to human 5HT1F receptor
50014245	3	ChEMBL_2121430 (CHEMBL4830577)	Binding affinity to human 5HT1A receptor
50014245	4	ChEMBL_2121431 (CHEMBL4830578)	Binding affinity to human 5HT1B receptor
50014245	5	ChEMBL_2121432 (CHEMBL4830579)	Binding affinity to human 5HT2A receptor
50014245	6	ChEMBL_2121433 (CHEMBL4830580)	Binding affinity to human 5HT2B receptor
50014245	7	ChEMBL_2121434 (CHEMBL4830581)	Binding affinity to human 5HT2C receptor
50014245	8	ChEMBL_2121435 (CHEMBL4830582)	Binding affinity to human 5HT3 receptor
50014246	1	ChEMBL_2121468 (CHEMBL4830615)	Inhibition of human ERG by QPatch automated patch clamp system
50014248	1	ChEMBL_2121504 (CHEMBL4830651)	Inhibition of capsid protein in HBV infected in human HepDES19 cells assessed as inhibition of viral replication incubated for 3 days by strand preferential qPCR analysis
50014250	1	ChEMBL_2121551 (CHEMBL4830698)	Inhibition of human ERG expressed in CHO cells measured after 24 hrs by patch clamp assay
50014251	1	ChEMBL_2121597 (CHEMBL4830744)	Agonist activity at human GPR27 expressed in HEK293 cells co-expressing FnLArrb2.GPR27V2LFc assessed as induction of beta-arrestin recruitment incubated for 10 mins measured followed by addition of D-luciferin by firefly-luciferase complementation assay
50014251	2	ChEMBL_2121600 (CHEMBL4830747)	Agonist activity at human GPR27 expressed in HEK293 cells assessed as induction of beta-arrestin recruitment pretreated with substrate for 45 mins followed by compound addition and measured for 40 mins by NanoLuc luciferase complementation assay
50014253	1	ChEMBL_2121615 (CHEMBL4830762)	Inhibition of HDAC (unknown origin)
50014253	2	ChEMBL_2121619 (CHEMBL4830766)	Inhibition of HDAC3 (unknown origin)
50014253	3	ChEMBL_2121620 (CHEMBL4830767)	Inhibition of HDAC4 (unknown origin)
50014253	4	ChEMBL_2121621 (CHEMBL4830768)	Inhibition of HDAC5 (unknown origin)
50014253	5	ChEMBL_2121622 (CHEMBL4830769)	Inhibition of HDAC6 (unknown origin)
50014253	6	ChEMBL_2121623 (CHEMBL4830770)	Inhibition of HDAC7 (unknown origin)
50014253	7	ChEMBL_2121624 (CHEMBL4830771)	Inhibition of HDAC8 (unknown origin)
50014253	8	ChEMBL_2121625 (CHEMBL4830772)	Inhibition of HDAC9 (unknown origin)
50014253	9	ChEMBL_2121626 (CHEMBL4830773)	Inhibition of HDAC10 (unknown origin)
50014253	10	ChEMBL_2121627 (CHEMBL4830774)	Inhibition of HDAC11 (unknown origin)
50014254	1	ChEMBL_2121786 (CHEMBL4830933)	Inhibition of NAE1 (unknown origin)
50014255	1	ChEMBL_2121797 (CHEMBL4830944)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate in presence of NAD+ by fluorescence based analysis
50014255	2	ChEMBL_2121798 (CHEMBL4830945)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 400 uM NAD+ by fluorescence based analysis
50014255	3	ChEMBL_2121799 (CHEMBL4830946)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 200 uM NAD+ by fluorescence based analysis
50014255	4	ChEMBL_2121800 (CHEMBL4830947)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 100 uM NAD+ by fluorescence based analysis
50014255	5	ChEMBL_2121801 (CHEMBL4830948)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 50 uM NAD+ by fluorescence based analysis
50014255	6	ChEMBL_2121802 (CHEMBL4830949)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using 300 uM Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 400 uM NAD+ by fluorescence based analysis
50014255	7	ChEMBL_2121803 (CHEMBL4830950)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using 100 uM Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 400 uM NAD+ by fluorescence based analysis
50014255	8	ChEMBL_2121804 (CHEMBL4830951)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using 33 uM Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 400 uM NAD+ by fluorescence based analysis
50014255	9	ChEMBL_2121805 (CHEMBL4830952)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using 11 uM Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 400 uM NAD+ by fluorescence based analysis
50014255	10	ChEMBL_2121809 (CHEMBL4830956)	Inhibition of recombinant SIRT1 (unknown origin) using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate in presence of NAD+
50014255	11	ChEMBL_2121810 (CHEMBL4830957)	Inhibition of recombinant SIRT3 (unknown origin) using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate in presence of NAD+
50014255	12	ChEMBL_2121811 (CHEMBL4830958)	Inhibition of recombinant SIRT2 (unknown origin) using Ac-Glu-Thr-Asp-Lys(Dec)-AMC as substrate in presence of NAD+
50014255	13	ChEMBL_2121812 (CHEMBL4830959)	Inhibition of recombinant SIRT6 (unknown origin) using Ac-Ile-Arg-Ile-Lys(Su)-AMC as substrate in presence of NAD+
50014255	14	ChEMBL_2121813 (CHEMBL4830960)	Inhibition of SIRT5 (unknown origin)
50014255	15	ChEMBL_2121814 (CHEMBL4830961)	Inhibition of SIRT5 (unknown origin) using KQTAR(SuK)STGGKA as substrate in presence of NAD
50014255	16	ChEMBL_2121815 (CHEMBL4830962)	Inhibition of SIRT5 (unknown origin) assessed as reduction in GGQSLKFGKG formation using GGQSLK[succ]FGKG as substrate
50014255	17	ChEMBL_2121816 (CHEMBL4830963)	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys(Su)-AMC as substrate incubated for 1 hr in presence of 800 uM NAD+ by fluorescence based analysis
50014256	1	ChEMBL_2121819 (CHEMBL4830966)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay
50014256	2	ChEMBL_2121820 (CHEMBL4830967)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by substrate and ATP addition by TR-FRET assay
50014256	3	ChEMBL_2121821 (CHEMBL4830968)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme and ATP at Km for 3 hrs followed by substrate addition and measured after 1 hr by TR-FRET assay
50014256	4	ChEMBL_2121822 (CHEMBL4830969)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme and ATP at 10XKm for 3 hrs followed by substrate addition and measured after 1 hr by TR-FRET assay
50014256	5	ChEMBL_2121823 (CHEMBL4830970)	Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR-FRET assay
50014256	6	ChEMBL_2121824 (CHEMBL4830971)	Inhibition of wild type EGFR (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by substrate and ATP addition by TR-FRET assay
50014256	7	ChEMBL_2121848 (CHEMBL4830995)	Inhibition of EGFR del19/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme for 3 hrs followed by substrate and ATP addition by TR-FRET assay
50014257	1	ChEMBL_2121874 (CHEMBL4831021)	Inhibition of FLT3 (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	2	ChEMBL_2121875 (CHEMBL4831022)	Inhibition of NEK2 (unknown origin) using 5' FAM-KKLNRTLSVA-COOH peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	3	ChEMBL_2121876 (CHEMBL4831023)	Inhibition of RET (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	4	ChEMBL_2121877 (CHEMBL4831024)	Inhibition of EGFR (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	5	ChEMBL_2121878 (CHEMBL4831025)	Inhibition of CSF-1R (unknown origin) using 5' FAM-KKKKEEIYFFF-CONH2 peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	6	ChEMBL_2121879 (CHEMBL4831026)	Inhibition of Aurora A (unknown origin) using 5' FAM-LRRASLG-CONH2 peptide as a substrate in the presence of ATP incubated for 60 mins by microfluidics assay
50014257	7	ChEMBL_2121880 (CHEMBL4831027)	Inhibition of NIK (unknown origin)
50014258	1	ChEMBL_2121911 (CHEMBL4831058)	Negative modulator activity at human TLR8 expressed in HEK-Blue hTLR8 cells assessed as inhibition of TL8-506 stimulated NF-kappaB activation preincubated with compound for 1 hr followed by TL8-506 stimulation for 24 hrs by SEAP-based colorimetric assay
50014259	1	ChEMBL_2121922 (CHEMBL4831069)	Agonist activity at SMO in mouse NIH3T3 cells incubated for 2 hrs by Bright-Glo luciferase assay
50014259	2	ChEMBL_2121923 (CHEMBL4831070)	Antagonist activity at SMO in mouse NIH3T3 cells preincubated for 2 hrs followed by SAG stimulation and measured after 24 hrs by Bright-Glo luciferase assay
50014261	1	ChEMBL_2121941 (CHEMBL4831088)	Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50014261	2	ChEMBL_2121942 (CHEMBL4831089)	Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50014261	3	ChEMBL_2121943 (CHEMBL4831090)	Inhibition of recombinant human CA4 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50014261	4	ChEMBL_2121944 (CHEMBL4831091)	Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50014261	5	ChEMBL_2121945 (CHEMBL4831092)	Inhibition of recombinant human CA9 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50014262	1	ChEMBL_2121954 (CHEMBL4831101)	Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysis
50014262	2	ChEMBL_2121956 (CHEMBL4831103)	Inhibition of equine serum BuChE using BTC as substrate preincubated with enzyme for 5 mins followed by substrate addition for 5 mins by Ellman's method
50014262	3	ChEMBL_2121957 (CHEMBL4831104)	Inhibition of BuChE in human plasma using BTC as substrate preincubated with enzyme for 5 mins followed by substrate addition for 5 mins by Ellman's method
50014262	4	ChEMBL_2121991 (CHEMBL4831138)	Inhibition of electric eel AchE using ATC as substrate preincubated with enzyme for 5 mins followed by substrate addition for 5 mins by Ellman's method
50014263	1	ChEMBL_2122001 (CHEMBL4831148)	Inhibition of human alpha 2C adrenergic receptor expressed in CHO-K1 cells coexpressing Gaq and aequorin assessed as suppression of noradrenaline-induced intracellular calcium release by bioluminescence assay
50014264	1	ChEMBL_2122063 (CHEMBL4831210)	Binding affinity to human CASK by KINOMEscan scanMAX assay
50014264	2	ChEMBL_2122064 (CHEMBL4831211)	Binding affinity to human CSNK1E by KINOMEscan scanMAX assay
50014264	3	ChEMBL_2122065 (CHEMBL4831212)	Binding affinity to human MERTK by KINOMEscan scanMAX assay
50014264	4	ChEMBL_2122066 (CHEMBL4831213)	Binding affinity to human non-phosphorylated ABL1 by KINOMEscan scanMAX assay
50014264	5	ChEMBL_2122067 (CHEMBL4831214)	Binding affinity to human N-terminal RSK3 kinase domain 1 by KINOMEscan scanMAX assay
50014264	6	ChEMBL_2122068 (CHEMBL4831215)	Binding affinity to human MAP3K2 by KINOMEscan scanMAX assay
50014264	7	ChEMBL_2122069 (CHEMBL4831216)	Binding affinity to human MET by KINOMEscan scanMAX assay
50014264	8	ChEMBL_2122070 (CHEMBL4831217)	Binding affinity to human AXL by KINOMEscan scanMAX assay
50014264	9	ChEMBL_2122076 (CHEMBL4831223)	Binding affinity to recombinant N-terminal His-tagged CASK (1 to 337 residues) (unknown origin) expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50014264	10	ChEMBL_2122080 (CHEMBL4831227)	Inhibition of tracer K5 binding to NanoLuc-fused CASK (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014264	11	ChEMBL_2122081 (CHEMBL4831228)	Inhibition of tracer K5 binding to NanoLuc-fused TYRO3 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014264	12	ChEMBL_2122084 (CHEMBL4831231)	Inhibition of tracer K5 binding to NanoLuc-fused MERTK (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014264	13	ChEMBL_2122085 (CHEMBL4831232)	Inhibition of tracer K5 binding to NanoLuc-fused AXL (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014264	14	ChEMBL_2122086 (CHEMBL4831233)	Inhibition of tracer K5 binding to NanoLuc-fused ABL1 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014264	15	ChEMBL_2122087 (CHEMBL4831234)	Inhibition of tracer K5 binding to NanoLuc-fused CSNK1E (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50014265	1	ChEMBL_2122093 (CHEMBL4831240)	Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP level at 100 uM incubated for 2 hr by alphaScreen assay
50014265	2	ChEMBL_2122095 (CHEMBL4831242)	Partial agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP level incubated for 2 hr by alphaScreen assay
50014265	3	ChEMBL_2122096 (CHEMBL4831243)	Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP level incubated for 2 hr by alphaScreen assay
50014265	4	ChEMBL_2122098 (CHEMBL4831245)	Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP level at 100 uM incubated for 2 hr by alphaScreen assay
50014265	5	ChEMBL_2122100 (CHEMBL4831247)	Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay based Schild analysis
50014265	6	ChEMBL_2122101 (CHEMBL4831248)	Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay based Schild analysis
50014265	7	ChEMBL_2122104 (CHEMBL4831251)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP level incubated for 2 hr by alphaScreen assay
50014265	8	ChEMBL_2122105 (CHEMBL4831252)	Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP level at 100 uM incubated for 2 hr by alphaScreen assay relative to control
50014266	1	ChEMBL_2122111 (CHEMBL4831258)	Inhibition of His-tagged human AKT1 expressed in baculovirus expression system using TC-AHA-GRPRTSSFAEG-NH2 as substrate incubated for 90 mins by mobility shift assay
50014266	2	ChEMBL_2122113 (CHEMBL4831260)	Inhibition of recombinant full length GST-tagged human Aurora B (1 to 344 residues) co-expressed with N-terminal His-tagged human recombinant INCENP (803 to 918 residues) in baculovirus infected Sf21 cells incubated for 90 mins by mobility shift assay
50014266	3	ChEMBL_2122124 (CHEMBL4831271)	Inhibition of CYP2C9 (unknown origin)
50014267	1	ChEMBL_2122156 (CHEMBL4831303)	Inhibition of human recombinant CDC25B expressed in Escherichia coli assessed as inhibition of phosphatase activity by measuring p-nitrophenyl phosphate measured after 60 mins
50014268	1	ChEMBL_2122177 (CHEMBL4831324)	Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP without preincubation
50014268	2	ChEMBL_2122178 (CHEMBL4831325)	Inhibition of PIM1 (unknown origin) in presence of 1 mM ATP with preincubation
50014268	3	ChEMBL_2122180 (CHEMBL4831327)	Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP without preincubation
50014268	4	ChEMBL_2122181 (CHEMBL4831328)	Inhibition of CLK1 (unknown origin) in presence of 1 mM ATP with preincubation
50014268	5	ChEMBL_2122183 (CHEMBL4831330)	Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP without preincubation
50014268	6	ChEMBL_2122184 (CHEMBL4831331)	Inhibition of CLK2 (unknown origin) in presence of 1 mM ATP with preincubation
50014268	7	ChEMBL_2122186 (CHEMBL4831333)	Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP without preincubation
50014268	8	ChEMBL_2122187 (CHEMBL4831334)	Inhibition of GSK3alpha (unknown origin) in presence of 1 mM ATP with preincubation
50014268	9	ChEMBL_2122189 (CHEMBL4831336)	Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser53 residue incubated for 48 hrs by Western blot analysis
50014268	10	ChEMBL_2122190 (CHEMBL4831337)	Inhibition of CDC7 in human SW-620 cells assessed as reduction in phosphorylation of MCM2 at Ser40 residue incubated for 48 hrs by Western blot analysis
50014269	1	ChEMBL_2122235 (CHEMBL4831382)	Inhibition of Mycobacterium tuberculosis recombinant DprE1 expressed in Escherichia coli assessed as formation of resorufin using FPR as substrate by Amplex Red hydrogen/peroxidase coupled assay
50014270	1	ChEMBL_2122245 (CHEMBL4831392)	Inhibition of CHK1 (unknown origin) incubated for 1 hr in presence of ATP by HTRF assay
50014271	1	ChEMBL_2122293 (CHEMBL4831440)	Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method
50014272	1	ChEMBL_2122294 (CHEMBL4831441)	Inhibition of HDAC1 (unknown origin) preincubated for 10 mins followed by tripeptide substrate addition and measured after 60 mins by fluorescence microplate reader assay
50014272	2	ChEMBL_2122295 (CHEMBL4831442)	Inhibition of human HDAC2 preincubated for 10 mins followed by tripeptide substrate addition and measured after 60 mins by fluorescence microplate reader assay
50014273	1	ChEMBL_2122322 (CHEMBL4831469)	Inhibition of recombinant full length human N-terminal FLAG-tagged PHD1 expressed in baculovirus expression system using HIF1/C35 complex as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by TR-FRET assay
50014273	2	ChEMBL_2122323 (CHEMBL4831470)	Inhibition of full length human N-terminal His-tagged/TEV cleavage fused PHD2 expressed in baculovirus infected insect cells using HIF1/C35 complex as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by TR-FRET assay
50014273	3	ChEMBL_2122324 (CHEMBL4831471)	Inhibition of recombinant full length human N-terminal 6His-tagged PHD3 expressed Escherichia coli using HIF1/C35 complex as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by TR-FRET assay
50014274	1	ChEMBL_2122325 (CHEMBL4831472)	Inhibition of human recombinant ACSS2 incubated for 180 mins by AMP Glo assay
50014274	2	ChEMBL_2122326 (CHEMBL4831473)	Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into fatty acids by microbeta scintillation counting analysis
50014274	3	ChEMBL_2122327 (CHEMBL4831474)	Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into histones by microbeta scintillation counting analysis
50014275	1	ChEMBL_2122329 (CHEMBL4831476)	Inhibition of human plasma kallikrein using H-Pro-Phe-AMC as fluorogenic substrate measured every 2 mins for 12 mins by microplate reader analysis
50014276	1	ChEMBL_2122332 (CHEMBL4831565)	Inhibition of recombinant human GLS1 expressed in Escherichia coli strain BL21 (DE3) preincubated for 10 mins before glutamine addition and measured after 60 mins by bovine liver glutamate dehydrogenase based coupled enzyme assay
50014276	2	ChEMBL_2122339 (CHEMBL4831572)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as dissociation constant by surface plasmon resonance analysis
50014276	3	ChEMBL_2122340 (CHEMBL4831573)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as association rate constant by surface plasmon resonance analysis
50014276	4	ChEMBL_2122341 (CHEMBL4831574)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) assessed as dissociation rate constant by surface plasmon resonance analysis
50014276	5	ChEMBL_2122342 (CHEMBL4831575)	Binding affinity to human GLS1 expressed in Escherichia coli strain BL21 (DE3) by ITC analysis
50014276	6	ChEMBL_2122401 (CHEMBL4831634)	Inhibition of GLS1 (unknown origin)
50014278	1	ChEMBL_2122402 (CHEMBL4831635)	Binding affinity to recombinant His-tagged ERalpha LBD (307 to 554 residue) (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and measured after 1 hr by fluorescent polarization assay
50014278	2	ChEMBL_2122403 (CHEMBL4831636)	Binding affinity to ERalpha Y537S mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and measured after 1 hr by fluorescent polarization assay
50014278	3	ChEMBL_2122404 (CHEMBL4831637)	Binding affinity to ERalpha S463P mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and measured after 1 hr by fluorescent polarization assay
50014278	4	ChEMBL_2122405 (CHEMBL4831638)	Binding affinity to ERalpha D538G mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and measured after 1 hr by fluorescent polarization assay
50014278	5	ChEMBL_2122413 (CHEMBL4831646)	Antagonist activity at ERalpha in human MCF7 cells assessed as reduction in PGR gene expression incubated for 24 hrs by qPCR analysis
50014279	1	ChEMBL_2122463 (CHEMBL4831696)	Inhibition of human ERG
50014279	2	ChEMBL_2122485 (CHEMBL4831718)	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 using FAD as substrate by resazurin based assay
50014280	1	ChEMBL_2122486 (CHEMBL4831719)	Inhibition of KLK6 (unknown origin) assessed as release of AMC fluorescent product using Boc-QAR-AMC as substrate incubated for 30 mins by microplate reader
50014280	2	ChEMBL_2122489 (CHEMBL4831722)	Non-competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis
50014280	3	ChEMBL_2122490 (CHEMBL4831723)	Competitive inhibition of KLK6 (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis
50014280	4	ChEMBL_2122492 (CHEMBL4831725)	Inhibition of plasmin (unknown origin) assessed as release of AMC fluorescent product using Boc-QAR-AMC as substrate incubated for 30 mins by microplate reader
50014280	5	ChEMBL_2122493 (CHEMBL4831726)	Inhibition of KLK1 (unknown origin) assessed as release of AMC fluorescent product using H-PFR-AMC as substrate incubated for 30 mins by microplate reader
50014280	6	ChEMBL_2122509 (CHEMBL4831742)	Competitive inhibition of plasmin (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins by Dixon plot analysis
50014280	7	ChEMBL_2122510 (CHEMBL4831743)	Competitive inhibition of KLK1 (unknown origin) assessed as release of AMC fluorescent product using H-PFR-AMC as substrate incubated for 30 mins by microplate reader
50014281	1	ChEMBL_2122566 (CHEMBL4831799)	Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected with Cov-Gluc by Gaussia luciferase reporter gene method
50014281	2	ChEMBL_2122569 (CHEMBL4831802)	Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected nsp12
50014281	3	ChEMBL_2122570 (CHEMBL4831803)	Inhibition of SARS-CoV-2 RdRp transfected in human HEK293T cells cotransfected nsp12 along with nsp14 and nsp10
50014282	1	ChEMBL_2122576 (CHEMBL4831809)	Inhibition of CDK8/Cyclin C (unknown origin) measured after 1 hr by plate reader assay
50014282	2	ChEMBL_2122584 (CHEMBL4831817)	Inhibition of CDK19/Cyclin C (unknown origin)
50014283	1	ChEMBL_2122594 (CHEMBL4831827)	Inhibition of human N-terminal His-tagged IDO1 expressed in Escherichia coli assessed as formation of N'-formyl-kynurenine using D-tryptophan as a substrate by methylene blue based assay
50014283	2	ChEMBL_2122601 (CHEMBL4831834)	Inhibition of IDO1 (unknown origin)
50014285	1	ChEMBL_2122626 (CHEMBL4831859)	Inhibition of recombinant human full-length GST-tagged syntenin-1/Syndecan-2 complex interaction expressed in Escherichia coli ER2566 measured after 16 hrs by HTRF assay
50014285	2	ChEMBL_2122627 (CHEMBL4831860)	Inhibition of recombinant human full-length GST-tagged syntenin-1/Syndecan-2 complex interaction expressed in Escherichia coli ER2566 in presence of NP40 detergent measured after 16 hrs by HTRF assay
50014289	1	ChEMBL_2122635 (CHEMBL4831868)	Inhibition of Tak1/Tab1 (unknown origin) assessed as inhibition of Tak1 kinase activity preincubated for 30 mins followed by addition of MBP protein and ATP and measured after 2 hrs by ADP-Glo kinase assay
50014291	1	ChEMBL_2122674 (CHEMBL4831907)	Inhibition of mouse Panx-1 expressed in Xenopus laevis oocytes assessed as inhibition of membrane current cells held at -60 mV and voltage steps to +60 mV in presence of CBX measured by Whole cell voltage clamp assay relative to control
50014294	1	ChEMBL_2122761 (CHEMBL4831994)	Inhibition of human recombinant AChE preincubated for 1 min in presence of DNTB followed by addition of acetylthiocholine iodide substrate and measured after 20 mins by Ellman's method
50014294	2	ChEMBL_2122762 (CHEMBL4831995)	Inhibition of electric eel recombinant AChE preincubated for 1 min in presence of DNTB followed by addition of acetylthiocholine iodide substrate and measured after 20 mins by Ellman's method
50014294	3	ChEMBL_2122763 (CHEMBL4831996)	Inhibition of human recombinant N-terminal His-tagged GSK3beta expressed in Escherichia coli using RRRPASVPPSPSLS RHS(pS)HQRR as substrate incubated for 30 mins in presence of ATP by Kinase-Glo reagent based luminescence assay
50014294	4	ChEMBL_2122764 (CHEMBL4831997)	Inhibition of BChE (unknown origin)
50014296	1	ChEMBL_2122818 (CHEMBL4832051)	Inhibition of FAK (unknown origin) using Poly(Glu,Tyr) and ATP as substrate measured after 40 mins by Kinase-Glo Plus luminescence assay
50014297	1	ChEMBL_2122892 (CHEMBL4832125)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) measured after 60 mins by ADP-Glo kinase based luminescence assay
50014297	2	ChEMBL_2122893 (CHEMBL4832126)	Inhibition of wild type EGFR (unknown origin) measured after 60 mins by ADP-Glo kinase based luminescence assay
50014298	1	ChEMBL_2122937 (CHEMBL4832170)	Inhibition of human recombinant MAGL using 4-NPA as substrate by microplate reader method
50014298	2	ChEMBL_2122942 (CHEMBL4832175)	Inhibition of human recombinant MAGL assessed as dissociation constant using 4-NPA as substrate
50014298	3	ChEMBL_2122943 (CHEMBL4832176)	Inhibition of human recombinant FAAH using AMC arachidonoyl amyl as substrate by fluorescence based assay
50014300	1	ChEMBL_2122953 (CHEMBL4832186)	Displacement of 10mer-Thr-FAM probe from WDR5 (unknown origin) incubated for 30 mins by fluorescence polarizaton assay
50014300	2	ChEMBL_2122959 (CHEMBL4832192)	Binding affinity to WDR5 (unknown origin) assessed as binding constant by isothermal titration calorimetry
50014300	3	ChEMBL_2122982 (CHEMBL4832215)	Inhibition of MLL1 (unknown origin)-mediated H3K4 methylation using histone H3 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	4	ChEMBL_2122983 (CHEMBL4832216)	Inhibition of G9a (unknown origin)-mediated H3K9 methylation using histone H3 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	5	ChEMBL_2122984 (CHEMBL4832217)	Inhibition of DOT1L (unknown origin)-mediated H3K79 methylation using histone H3 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	6	ChEMBL_2122985 (CHEMBL4832218)	Inhibition of EZH2 (unknown origin)-mediated H3K27 methylation using histone H3 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	7	ChEMBL_2122986 (CHEMBL4832219)	Inhibition of SET8 (unknown origin)-mediated H4K20 methylation using histone H4 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	8	ChEMBL_2122987 (CHEMBL4832220)	Inhibition of PRMT5 (unknown origin)-mediated H3R8 methylation using histone H3 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	9	ChEMBL_2122988 (CHEMBL4832221)	Inhibition of PRMT5 (unknown origin)-mediated H4R3 methylation using histone H4 and SAM as substrate incubated for 30 mins by AlphaScreen assay
50014300	10	ChEMBL_2123001 (CHEMBL4832234)	Inhibition of WDR5 (unknown origin) by fluorescence polarization assay
50014300	11	ChEMBL_2123002 (CHEMBL4832235)	Displacement of GSARAEVHLRKS from WDR5 (unknown origin) by fluorescence polarization assay
50014301	1	ChEMBL_2123003 (CHEMBL4832236)	Binding affinity to human galactin-8 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	2	ChEMBL_2123005 (CHEMBL4832238)	Binding affinity to human galactin-3 assessed as dissociation constant by competitive fluorescence polarization assay
50014301	3	ChEMBL_2123008 (CHEMBL4832241)	Binding affinity to human galactin-1 assessed as dissociation constant by competitive fluorescence polarization assay
50014301	4	ChEMBL_2123009 (CHEMBL4832242)	Binding affinity to human galactin-2 assessed as dissociation constant by competitive fluorescence polarization assay
50014301	5	ChEMBL_2123010 (CHEMBL4832243)	Binding affinity to human galactin-4 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	6	ChEMBL_2123011 (CHEMBL4832244)	Binding affinity to human galactin-4 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	7	ChEMBL_2123012 (CHEMBL4832245)	Binding affinity to human galactin-7 assessed as dissociation constant by competitive fluorescence polarization assay
50014301	8	ChEMBL_2123013 (CHEMBL4832246)	Binding affinity to human galactin-8 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	9	ChEMBL_2123014 (CHEMBL4832247)	Binding affinity to human galactin-9 N terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	10	ChEMBL_2123015 (CHEMBL4832248)	Binding affinity to human galactin-9 C terminal domain assessed as dissociation constant by competitive fluorescence polarization assay
50014301	11	ChEMBL_2123018 (CHEMBL4832251)	Binding affinity to galectin-8 N-terminal domain (unknown origin)
50014301	12	ChEMBL_2123019 (CHEMBL4832252)	Binding affinity to galectin-3 (unknown origin)
50014302	1	ChEMBL_2123057 (CHEMBL4832290)	Inhibition of EGFR (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	2	ChEMBL_2123058 (CHEMBL4832291)	Inhibition of ErbB4 (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	3	ChEMBL_2123059 (CHEMBL4832292)	Inhibition of JAK3 (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	4	ChEMBL_2123060 (CHEMBL4832293)	Inhibition of JNK3 (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	5	ChEMBL_2123066 (CHEMBL4832299)	Inhibition of wild type B-RAF (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	6	ChEMBL_2123067 (CHEMBL4832300)	Inhibition of A-RAF (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	7	ChEMBL_2123068 (CHEMBL4832301)	Inhibition of EGFR- L861Q mutant (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	8	ChEMBL_2123069 (CHEMBL4832302)	Inhibition of EGFR- T790M mutant (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	9	ChEMBL_2123070 (CHEMBL4832303)	Inhibition of EGFR T790M/L858R mutant (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	10	ChEMBL_2123071 (CHEMBL4832304)	Inhibition of FLT-3(unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	11	ChEMBL_2123072 (CHEMBL4832305)	Inhibition of MEK2 (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	12	ChEMBL_2123074 (CHEMBL4832307)	Inhibition of ErbB4 in human T47D cells assessed as suppression of neuregulin 1-induced autophosphorylation incubated for 90 mins by sandwich ELISA
50014302	13	ChEMBL_2123077 (CHEMBL4832310)	Inhibition of human ERG incubated for 3 hrs by competitive fluorescence tracer binding based assay
50014302	14	ChEMBL_2123079 (CHEMBL4832312)	Inhibition of CYP2D6 (unknown origin) using EOMCC as a substrate incubated for 20 mins by fluorescence based analysis
50014302	15	ChEMBL_2123080 (CHEMBL4832313)	Inhibition of CYP3A4 (unknown origin) using BOMCC as a substrate incubated for 20 mins by fluorescence based analysis
50014302	16	ChEMBL_2123083 (CHEMBL4832316)	Inhibition of KDR (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	17	ChEMBL_2123084 (CHEMBL4832317)	Inhibition of RAF1 (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014302	18	ChEMBL_2123085 (CHEMBL4832318)	Inhibition of BRAF V600E mutant (unknown origin) incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014303	1	ChEMBL_2123087 (CHEMBL4832320)	Inhibition of human KDM4D expressed in Escherichia coli BL21 (DE3) using biotinylated H3-derived peptide and 2-OG as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by AlphaLISA assay
50014303	2	ChEMBL_2123088 (CHEMBL4832321)	Inhibition of human KDM4D expressed in Escherichia coli BL21 (DE3) assessed as equilibrium dissociation constant measured by isothermal titration calorimetry assay
50014303	3	ChEMBL_2123090 (CHEMBL4832323)	Mixed inhibition of human KDM4D expressed in Escherichia coli BL21(DE3) using H3(1-21)K9me3 peptide and varying concentrations of 2-OG as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by Michaelis-Menten plot based analysis
50014303	4	ChEMBL_2123091 (CHEMBL4832324)	Inhibition of KDM3B (unknown origin) by AlphaLISA assay
50014303	5	ChEMBL_2123092 (CHEMBL4832325)	Inhibition of KDM4A (unknown origin) by AlphaLISA assay
50014303	6	ChEMBL_2123093 (CHEMBL4832326)	Inhibition of KDM5A (unknown origin) by AlphaLISA assay
50014303	7	ChEMBL_2123094 (CHEMBL4832327)	Inhibition of KDM6A (unknown origin) by AlphaLISA assay
50014303	8	ChEMBL_2123126 (CHEMBL4832359)	Inhibition of KDM4D (unknown origin)
50014308	1	ChEMBL_2123210 (CHEMBL4832443)	Inhibition of recombinant PTP1B catalytic domain (unknown origin) assessed as reduction in pNP formation using pNPP as substrate by absorbance based analysis
50014309	1	ChEMBL_2123213 (CHEMBL4832446)	Displacement of [3H]-DPN from mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by radioligand competition binding based assay
50014309	2	ChEMBL_2123215 (CHEMBL4832448)	Agonist activity at mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production incubated for 30 mins by HTRF assay
50014309	3	ChEMBL_2123217 (CHEMBL4832450)	Agonist activity at mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as beta-arrestin 2 recruitment using furimazine as a substrate preincubated for 5 mins followed by ligand addition measured for 35 mins by BRET assay
50014309	4	ChEMBL_2123218 (CHEMBL4832451)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site incubated with dyn A1-13 alone for 90 mins by radioligand competition binding assay
50014309	5	ChEMBL_2123221 (CHEMBL4832454)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site at 0.3 uM coincubated with dyn A1-13 for 90 mins by radioligand competition binding assay
50014309	6	ChEMBL_2123222 (CHEMBL4832455)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site at 1 uM coincubated with dyn A1-13 for 90 mins by radioligand competition binding assay
50014309	7	ChEMBL_2123223 (CHEMBL4832456)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site at 3 uM coincubated with dyn A1-13 for 90 mins by radioligand competition binding assay
50014309	8	ChEMBL_2123224 (CHEMBL4832457)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site at 10 uM coincubated with dyn A1-13 for 90 mins by radioligand competition binding assay
50014309	9	ChEMBL_2123225 (CHEMBL4832458)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of dyn A1-13 to orthosteric binding site at 30 uM coincubated with dyn A1-13 for 90 mins by radioligand competition binding assay
50014309	10	ChEMBL_2123226 (CHEMBL4832459)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 incubated with dyn A1-13 alone measured after 30 mins by HTRF assay
50014309	11	ChEMBL_2123227 (CHEMBL4832460)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 at 0.03 uM pretreated for 30 mins followed by coincubation with dyn A1-13 measured after 30 mins by HTRF assay
50014309	12	ChEMBL_2123228 (CHEMBL4832461)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 at 0.1 uM pretreated for 30 mins followed by coincubation with dyn A1-13 measured after 30 mins by HTRF assay
50014309	13	ChEMBL_2123229 (CHEMBL4832462)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 at 0.3 uM pretreated for 30 mins followed by coincubation with dyn A1-13 measured after 30 mins by HTRF assay
50014309	14	ChEMBL_2123230 (CHEMBL4832463)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 at 1 uM pretreated for 30 mins followed by coincubation with dyn A1-13 measured after 30 mins by HTRF assay
50014309	15	ChEMBL_2123231 (CHEMBL4832464)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring dyn A1-13 EC50 at 3 uM pretreated for 30 mins followed by coincubation with dyn A1-13 measured after 30 mins by HTRF assay
50014309	16	ChEMBL_2123242 (CHEMBL4832475)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site incubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	17	ChEMBL_2123245 (CHEMBL4832478)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site at 0.3 uM coincubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	18	ChEMBL_2123246 (CHEMBL4832479)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site at 1 uM coincubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	19	ChEMBL_2123247 (CHEMBL4832480)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site at 3 uM coincubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	20	ChEMBL_2123248 (CHEMBL4832481)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site at 10 uM coincubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	21	ChEMBL_2123249 (CHEMBL4832482)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as binding affinity of U50,488 to orthosteric binding site at 30 uM coincubated with U50,488 alone for 90 mins by radioligand competition binding assay
50014309	22	ChEMBL_2123250 (CHEMBL4832483)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 incubated with U50,488 alone measured after 30 mins by HTRF assay
50014309	23	ChEMBL_2123251 (CHEMBL4832484)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 0.03 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	24	ChEMBL_2123252 (CHEMBL4832485)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 0.1 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	25	ChEMBL_2123253 (CHEMBL4832486)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 0.3 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	26	ChEMBL_2123254 (CHEMBL4832487)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 1 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	27	ChEMBL_2123255 (CHEMBL4832488)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 3 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	28	ChEMBL_2123256 (CHEMBL4832489)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production by measuring U50,488 EC50 at 10 uM pretreated for 30 mins followed by coincubation with U50,488 measured after 30 mins by HTRF assay
50014309	29	ChEMBL_2123266 (CHEMBL4832499)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as beta-arrestin recruitment by measuring U50,488 EC50 using furimazine as a substrate pretreated for 5 mins followed by incubation with U50,488 measured for 35 mins by BRET assay
50014309	30	ChEMBL_2123272 (CHEMBL4832505)	Positive allosteric modulator activity in mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as beta-arrestin recruitment by measuring U50,488 EC50 at 10 uM using furimazine as a substrate pretreated for 5 mins followed by ligand addition coincubation with U50,488 measured for 35 mins by BRET assay
50014313	1	ChEMBL_2123288 (CHEMBL4832521)	Inhibition of PDE4 CAT (unknown origin) at 1 uM relative to control
50014313	2	ChEMBL_2123289 (CHEMBL4832522)	Inhibition of PDE4 CAT (unknown origin)
50014314	1	ChEMBL_2123339 (CHEMBL4832572)	Displacement of 1,8-ANS from FABP4 (unknown origin) incubated for 3 mins by fluorescence based analysis
50014314	2	ChEMBL_2123340 (CHEMBL4832573)	Displacement of 1,8-ANS from FABP5 (unknown origin) incubated for 3 mins by fluorescence based analysis
50014314	3	ChEMBL_2123341 (CHEMBL4832574)	Displacement of 1,8-ANS from FABP3 (unknown origin) incubated for 3 mins by fluorescence based analysis
50014314	4	ChEMBL_2123365 (CHEMBL4832598)	Binding affinity to FABP4 (unknown origin) by microscale thermophoresis analysis
50014314	5	ChEMBL_2123366 (CHEMBL4832599)	Binding affinity to FABP5 (unknown origin) by microscale thermophoresis analysis
50014315	1	ChEMBL_2123404 (CHEMBL4832637)	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50014315	2	ChEMBL_2123405 (CHEMBL4832638)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50014315	3	ChEMBL_2123408 (CHEMBL4832641)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50014315	4	ChEMBL_2123410 (CHEMBL4832643)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50014315	5	ChEMBL_2123425 (CHEMBL4832658)	Pseudo-irreversible inhibition of equine serum BuChE assessed as binding affinity in an equilibrium state using butyrylthiocholine iodide as substrate preincubated with enzyme for 60 mins prior to substrate addition
50014318	1	ChEMBL_2123441 (CHEMBL4832674)	Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorometric enzyme assays
50014318	2	ChEMBL_2123442 (CHEMBL4832675)	Inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric enzyme assays
50014318	3	ChEMBL_2123443 (CHEMBL4832676)	Inhibition of human liver CatL assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured at second inhibition step by fluorometric enzyme assays
50014318	4	ChEMBL_2123444 (CHEMBL4832677)	Inhibition of human CatL assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate measured using Dixon equation by fluorometric enzyme assays
50014318	5	ChEMBL_2123445 (CHEMBL4832678)	Inhibition of human liver CatB assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate by fluorometric enzyme assays
50014318	6	ChEMBL_2123449 (CHEMBL4832682)	Competitive inhibition of Trypanosoma brucei rhodesain assessed as fluorescence using Cbz-Phe-Arg-AMC as substrate by fluorometric enzyme assays
50014322	1	ChEMBL_2123471 (CHEMBL4832704)	Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adapta assay
50014322	2	ChEMBL_2123472 (CHEMBL4832705)	Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo luminescence kinase assay
50014322	3	ChEMBL_2123473 (CHEMBL4832706)	Inhibition of PI3Kgamma in human U937 cells assessed as reduction in AKT phosphorylation preincubated for 30 mins followed by MIP1alpha stimulation for 3 mins by fluorescence analysis
50014322	4	ChEMBL_2123487 (CHEMBL4832720)	Inhibition of human PI3Kalpha expressed in rat fibroblast cells assessed as reduction in AKT phosphorylation at Ser473 residue incubated for 1 hr by AlphaScreen assay
50014322	5	ChEMBL_2123496 (CHEMBL4832729)	Binding affinity to PDE4d (unknown origin)
50014322	6	ChEMBL_2123507 (CHEMBL4832740)	Inhibition of PI3Kbeta (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by Kinase Glo luminescence kinase assay
50014322	7	ChEMBL_2123508 (CHEMBL4832741)	Inhibition of PI3Kdelta (unknown origin) using phosphatidylinositol as substrate incubated for 30 to 60 mins in presence of ATP by TR-FRET based Adapta assay
50014322	8	ChEMBL_2123509 (CHEMBL4832742)	Inhibition of recombinant human PI3Kalpha assessed as reduction in PIP3 formation by AlphaScreen assay
50014322	9	ChEMBL_2123510 (CHEMBL4832743)	Inhibition of recombinant human PI3Kbeta assessed as reduction in PIP3 formation by AlphaScreen assay
50014322	10	ChEMBL_2123511 (CHEMBL4832744)	Inhibition of recombinant human PI3Kgamma assessed as reduction in PIP3 formation by AlphaScreen assay
50014322	11	ChEMBL_2123512 (CHEMBL4832745)	Inhibition of recombinant human PI3Kdelta assessed as reduction in PIP3 formation by AlphaScreen assay
50014322	12	ChEMBL_2123513 (CHEMBL4832746)	Inhibition of recombinant full-length human His-tagged PI3Kalpha expressed in insect cells by Selectscreen kinase assay
50014322	13	ChEMBL_2123514 (CHEMBL4832747)	Inhibition of recombinant full-length human His-tagged PI3Kbeta expressed in insect cells by Selectscreen kinase assay
50014322	14	ChEMBL_2123515 (CHEMBL4832748)	Inhibition of recombinant full-length human His-tagged PI3Kgamma expressed in baculovirus expression system by Selectscreen kinase assay
50014322	15	ChEMBL_2123516 (CHEMBL4832749)	Inhibition of PI3Kdelta (unknown origin) by Selectscreen kinase assay
50014322	16	ChEMBL_2123517 (CHEMBL4832750)	Inhibition of human PI3Kbeta expressed in rat fibroblast cells assessed as reduction in AKT phosphorylation at Ser473 residue incubated for 1 hr by AlphaScreen assay
50014322	17	ChEMBL_2123518 (CHEMBL4832751)	Inhibition of human PI3Kdelta expressed in rat fibroblast cells assessed as reduction in AKT phosphorylation at Ser473 residue incubated for 1 hr by AlphaScreen assay
50014323	1	ChEMBL_2123520 (CHEMBL4832753)	Inhibition of recombinant full length LSD1 (unknown origin) transfected in Escherichia coli BL21 (DE) using H3K4me2 as substrate by flourescence based analysis
50014323	2	ChEMBL_2123527 (CHEMBL4832760)	Inhibition of EGFR (unknown origin)
50014324	1	ChEMBL_2123611 (CHEMBL4832844)	Inhibition of wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA
50014324	2	ChEMBL_2123613 (CHEMBL4832846)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50014324	3	ChEMBL_2123614 (CHEMBL4832847)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50014324	4	ChEMBL_2123615 (CHEMBL4832848)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50014324	5	ChEMBL_2123616 (CHEMBL4832849)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50014324	6	ChEMBL_2123617 (CHEMBL4832850)	Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate in presence of NADPH incubated for 10 mins by LC-MS/MS analysis
50014324	7	ChEMBL_2123621 (CHEMBL4832854)	Inhibition of human ERG expressed in CHO cells by manual patch clamp technique
50014325	1	ChEMBL_2123711 (CHEMBL4832944)	Inhibition of full length His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescent labelled ATP competitive ligand by fluorescent polarization based binding assay
50014325	2	ChEMBL_2123717 (CHEMBL4832950)	Binding affinity to human His-thr XIAP BIR3 (241 to 356) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluorescence laser-equipped multimode plate reader
50014325	3	ChEMBL_2123718 (CHEMBL4832951)	Binding affinity to human 6His-thr cIAP1 BIR3 (253 to 363) domain expressed in Escherichia coli measured after 105 mins in dark by time-resolved fluorescence laser-equipped multimode plate reader
50014326	1	ChEMBL_2123719 (CHEMBL4832952)	Inhibition of Mycobacterium tuberculosis H37Rv TMPK expressed in Escherichia coli by coupled enzyme based spectrophotometric analysis
50014327	1	ChEMBL_2123730 (CHEMBL4832963)	Agonist activity at human PPARalpha transfected in human HepG2 cells incubated for 18 hrs by Renilla/Firefly dual-luciferase reporter assay
50014327	2	ChEMBL_2123732 (CHEMBL4832965)	Agonist activity at human PPARgamma transfected in human HEK293 cells incubated for 18 hrs by Renilla/Firefly dual-luciferase reporter assay
50014327	3	ChEMBL_2123734 (CHEMBL4832967)	Agonist activity at human PPARdelta transfected in human HEK293 cells incubated for 18 hrs by Renilla/Firefly dual-luciferase reporter assay
50014328	1	ChEMBL_2123777 (CHEMBL4833010)	Inhibition of PRAP1 (unknown origin) by HT universal chemiluminescent assay
50014328	2	ChEMBL_2123779 (CHEMBL4833012)	Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay
50014328	3	ChEMBL_2123780 (CHEMBL4833013)	Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay
50014328	4	ChEMBL_2123781 (CHEMBL4833014)	Inhibition of EZH2 (unknown origin) using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay
50014330	1	ChEMBL_2123814 (CHEMBL4833047)	Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mins followed by enzyme addition and measured for 10 mins by absorbance based analysis
50014331	1	ChEMBL_2123815 (CHEMBL4833048)	Competitive inhibition of Trypanosoma cruzi cruzain
50014331	2	ChEMBL_2123820 (CHEMBL4833053)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate by fluorometry
50014331	3	ChEMBL_2123821 (CHEMBL4833054)	Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50014331	4	ChEMBL_2123825 (CHEMBL4833058)	Inhibition of recombinant Trypanosoma brucei rhodesiense MVAT4 rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate by fluorometry
50014331	5	ChEMBL_2123834 (CHEMBL4833067)	Competitive inhibition of Trypanosoma cruzi cruzain assessed as inhibition constant using varying levels of Z-FR-AMC as substrate by Michaelis-Menten analysis
50014332	1	ChEMBL_2123850 (CHEMBL4833083)	Inverse agonist activity at human RORC2 assessed as inhibition of SRC1-derived coactivator peptide by TR-FRET assay
50014332	2	ChEMBL_2123853 (CHEMBL4833086)	Inhibition of human ERG
50014332	3	ChEMBL_2123857 (CHEMBL4833090)	Inhibition of CYP2D6 in human liver microsomes
50014332	4	ChEMBL_2123869 (CHEMBL4833102)	Inverse agonist activity at human RORC ligand binding domain incubated for 30 mins by scintillation proximity binding assay
50014332	5	ChEMBL_2123870 (CHEMBL4833103)	Inverse agonist activity at mouse RORC ligand binding domain incubated for 30 mins by scintillation proximity binding assay
50014332	6	ChEMBL_2123872 (CHEMBL4833105)	Agonist activity at human RORA assessed as recruitment of PGC1alpha (130 to 154) coactivator peptide by TR-FRET assay
50014332	7	ChEMBL_2123874 (CHEMBL4833107)	Agonist activity at human RORB assessed as recruitment of PGC1alpha (130 to 154) coactivator peptide by TR-FRET assay
50014332	8	ChEMBL_2123875 (CHEMBL4833108)	Inhibition of CYP1A2 in human liver microsomes
50014332	9	ChEMBL_2123876 (CHEMBL4833109)	Inhibition of CYP2C19 in human liver microsomes
50014332	10	ChEMBL_2123877 (CHEMBL4833110)	Inhibition of CYP2C9 in human liver microsomes
50014332	11	ChEMBL_2123878 (CHEMBL4833111)	Inhibition of CYP3A4 in human liver microsomes
50014334	1	ChEMBL_2123929 (CHEMBL4833162)	Inhibition of N-terminal GST fusion tagged human FGFR4 cytoplasmic domain (460 to 802 end residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition and further incubated for 30 mins in presence of ATP at Km concentration by caliper mobility shift assay
50014334	2	ChEMBL_2123934 (CHEMBL4833167)	Inhibition of FGFR1 (unknown origin)
50014334	3	ChEMBL_2123936 (CHEMBL4833169)	Inhibition of FGFR2 (unknown origin)
50014334	4	ChEMBL_2123938 (CHEMBL4833171)	Inhibition of FGFR3 (unknown origin)
50014334	5	ChEMBL_2123966 (CHEMBL4833199)	Inhibition of His/TEV-tagged FGFR4 (447 to 753 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using poly-GT as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50014334	6	ChEMBL_2123967 (CHEMBL4833200)	Inhibition of FGFR1 (unknown origin) using poly-GT as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assay
50014334	7	ChEMBL_2123968 (CHEMBL4833201)	Inhibition of FGFR4 (unknown origin)
50014335	1	ChEMBL_2123991 (CHEMBL4833224)	Inhibition of wild type HIV1 p66/p51 reverse transcriptase using poly(rA) as template, oligo(dT)16 as primer and RNA/DNA as substrate measured after 40 mins by PICOGreen-dye based spectrofluorimetry analysis
50014337	1	ChEMBL_2123999 (CHEMBL4833232)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion preincubated for 30 mins followed by nigericin addition and measured after 30 mins by ELISA
50014337	2	ChEMBL_2124038 (CHEMBL4833271)	Binding affinity to His-GFP fused tagged NLRP3 (unknown origin) expressed in HEK293T incubated for 30 mins by microscale thermophoresis assay
50014338	1	ChEMBL_2124103 (CHEMBL4833336)	Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by MST analysis
50014338	2	ChEMBL_2124104 (CHEMBL4833337)	Binding affinity to 6His-tagged HMGB1 BoxA (unknown origin) incubated for 15 mins by MST analysis
50014338	3	ChEMBL_2124105 (CHEMBL4833338)	Binding affinity to 6His-tagged HMGB1 BoxB (unknown origin) incubated for 15 mins by MST analysis
50014338	4	ChEMBL_2124106 (CHEMBL4833339)	Binding affinity to full-length N-terminal 6His-tagged HMGB1 (unknown origin) by NMR spectra
50014340	1	ChEMBL_2124109 (CHEMBL4833342)	Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using DL-dihydroorotic acid as substrate and Q0 as coenzyme by DCIP based assay
50014341	1	ChEMBL_2124138 (CHEMBL4833371)	Inhibition of PDE4D2 (86-413) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	2	ChEMBL_2124139 (CHEMBL4833372)	Inhibition of PDE4B2 (152-487) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	3	ChEMBL_2124140 (CHEMBL4833373)	Inhibition of PDE1C (147-531) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	4	ChEMBL_2124141 (CHEMBL4833374)	Inhibition of PDE2A (580-919) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	5	ChEMBL_2124142 (CHEMBL4833375)	Inhibition of PDE3A (679-1087) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	6	ChEMBL_2124143 (CHEMBL4833376)	Inhibition of PDE5A1 (535-860) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	7	ChEMBL_2124144 (CHEMBL4833377)	Inhibition of PDE7A1 (130-482) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	8	ChEMBL_2124145 (CHEMBL4833378)	Inhibition of PDE8A1 (480-828) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	9	ChEMBL_2124146 (CHEMBL4833379)	Inhibition of PDE9A2 (181-506) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	10	ChEMBL_2124147 (CHEMBL4833380)	Inhibition of PDE10A2 (449-770) (unknown origin) expressed in Escherichia coli BL21 assessed as using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counting analysis
50014341	11	ChEMBL_2124168 (CHEMBL4833401)	Inhibition of human ERG
50014341	12	ChEMBL_2124169 (CHEMBL4833402)	Inhibition of human hepatic CYP1A2
50014341	13	ChEMBL_2124170 (CHEMBL4833403)	Inhibition of human hepatic CYP2B6
50014341	14	ChEMBL_2124171 (CHEMBL4833404)	Inhibition of human hepatic CYP2D6
50014341	15	ChEMBL_2124172 (CHEMBL4833405)	Inhibition of human hepatic CYP3A4
50014341	16	ChEMBL_2124173 (CHEMBL4833406)	Inhibition of human hepatic CYP2C9
50014342	1	ChEMBL_2124204 (CHEMBL4833437)	Inhibition of full length human CDK5 (1 to 292 residues)/p25 expressed in baculovirus expression system using FL peptide 29 as a substrate preincubated for 30 mins followed by substrate addition incubated for 60 mins in the presence of ATP by mobility shift assay
50014343	1	ChEMBL_2124205 (CHEMBL4833438)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate incubated for 1 hr by MAO-Glo assay
50014343	2	ChEMBL_2124206 (CHEMBL4833439)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate incubated for 1 hr by MAO-Glo assay
50014344	1	ChEMBL_2124225 (CHEMBL4833458)	Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence method
50014344	2	ChEMBL_2124228 (CHEMBL4833461)	Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance method
50014344	3	ChEMBL_2124232 (CHEMBL4833465)	Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 min by absorbance method
50014344	4	ChEMBL_2124234 (CHEMBL4833467)	Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry
50014346	1	ChEMBL_2124309 (CHEMBL4833542)	Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	2	ChEMBL_2124310 (CHEMBL4833543)	Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	3	ChEMBL_2124311 (CHEMBL4833544)	Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6a-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	4	ChEMBL_2124312 (CHEMBL4833545)	Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	5	ChEMBL_2124313 (CHEMBL4833546)	Inhibition of CYP2C19 in human liver microsomes assessed as mephenytoin 4-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	6	ChEMBL_2124314 (CHEMBL4833547)	Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	7	ChEMBL_2124315 (CHEMBL4833548)	Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hyrozylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	8	ChEMBL_2124316 (CHEMBL4833549)	Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6-beta-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014346	9	ChEMBL_2124317 (CHEMBL4833550)	Induction of CYP3A4 in human hepatocytes assessed as mRNA expression incubated for 3 days by RT-RTPCR analysis
50014346	10	ChEMBL_2124318 (CHEMBL4833551)	Induction of CYP2B6 in human hepatocytes assessed as mRNA expression incubated for 3 days by RT-RTPCR analysis
50014346	11	ChEMBL_2124320 (CHEMBL4833553)	Inhibition of CYP3A5 in human liver microsomes incubated for 30 mins in presence of NADP by LC-MS/MS analysis
50014347	1	ChEMBL_2124385 (CHEMBL4833618)	Binding affinity to fluorescent labelled DEPTOR (unknown origin) incubated for 10 mins by microscale thermophoresis assay
50014348	1	ChEMBL_2124395 (CHEMBL4833628)	Inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using C100-FLAG as substrate incubated for 2 hrs by sandwich ELISA
50014348	2	ChEMBL_2124396 (CHEMBL4833629)	Noncompetitive inhibition of gamma secretase (unknown origin) expressed in HEK293 cells assessed as reduction of A-beta40 levels using varying level of C100-FLAG as substrate incubated for 2 hrs by double reciprocal plot analysis
50014349	1	ChEMBL_2124401 (CHEMBL4833634)	Inhibition of EZH2 (unknown origin) using SAM as substrate incubated for 60 mins by luminescence microplate reader assay
50014349	2	ChEMBL_2124402 (CHEMBL4833635)	Inhibition of EZH2 Y641F mutant (unknown origin) using SAM as substrate incubated for 60 mins by luminescence microplate reader assay
50014349	3	ChEMBL_2124448 (CHEMBL4833681)	Inhibition of EZH2 in human U2932 cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	4	ChEMBL_2124449 (CHEMBL4833682)	Inhibition of EZH2 in human Raji cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	5	ChEMBL_2124450 (CHEMBL4833683)	Inhibition of EZH2 in human Daudi cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	6	ChEMBL_2124451 (CHEMBL4833684)	Inhibition of EZH2 A677G mutant in human Pfeiffer cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	7	ChEMBL_2124452 (CHEMBL4833685)	Inhibition of EZH2 Y641F mutant in human WSUDLCL2 cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	8	ChEMBL_2124453 (CHEMBL4833686)	Inhibition of EZH2 Y641N mutant in human KARPAS-422 cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	9	ChEMBL_2124454 (CHEMBL4833687)	Inhibition of EZH2 Y641N mutant in human SU-DHL-6 cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	10	ChEMBL_2124455 (CHEMBL4833688)	Inhibition of EZH2 Y641S mutant in human SU-DHL-4 cells assessed as suppression H3K27 trimethylation measured after 72 hrs by immunoblot analysis
50014349	11	ChEMBL_2124464 (CHEMBL4833697)	Inhibition of CYP1A2 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	12	ChEMBL_2124465 (CHEMBL4833698)	Inhibition of CYP2B6 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	13	ChEMBL_2124466 (CHEMBL4833699)	Inhibition of CYP2C8 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	14	ChEMBL_2124467 (CHEMBL4833700)	Inhibition of CYP2C9 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	15	ChEMBL_2124468 (CHEMBL4833701)	Inhibition of CYP2C19 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	16	ChEMBL_2124469 (CHEMBL4833702)	Inhibition of CYP2D6 in human pooled liver microsomes in presence of NADPH by LC-MS/MS analysis
50014349	17	ChEMBL_2124470 (CHEMBL4833703)	Inhibition of CYP3A4 in human pooled liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50014349	18	ChEMBL_2124471 (CHEMBL4833704)	Inhibition of human ERG expressed in HEK293 cells by patch-clamp method
50014351	1	ChEMBL_2124613 (CHEMBL4833846)	Agonist activity at HIF-2alpha (unknown origin) expressed in 786-O cells measured after 24 hrs by HRE based luciferase reporter gene assay
50014361	1	ChEMBL_2124736 (CHEMBL4833969)	Inhibition of CYP1A2 in pooled human liver microsomes using phenacetin as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50014361	2	ChEMBL_2124737 (CHEMBL4833970)	Inhibition of CYP2C9 in pooled human liver microsomes using diclofenac as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50014361	3	ChEMBL_2124738 (CHEMBL4833971)	Inhibition of CYP2C19 in pooled human liver microsomes using (S)-(+)-mephenytoin as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50014361	4	ChEMBL_2124739 (CHEMBL4833972)	Inhibition of CYP2D6 in pooled human liver microsomes using dextromethorphan as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50014361	5	ChEMBL_2124740 (CHEMBL4833973)	Inhibition of CYP3A4 in pooled human liver microsomes using midazolam or testosterone as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50014362	1	ChEMBL_2124798 (CHEMBL4834031)	Inhibition of kallikrein (unknown origin) using H-Pro-Phe-Arg-AMC as substrate incubated for 1 hr by fluorescence based analysis
50014364	1	ChEMBL_2124799 (CHEMBL4834032)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells incubated for 48 hrs by fluorescence microplate reader assay
50014365	1	ChEMBL_2124800 (CHEMBL4834033)	Inhibition of human DHODH using dihydroorotate as substrate and CoQ6 as co-substrate by DCIP dye based spectrophotometry analysis
50014366	1	ChEMBL_2124802 (CHEMBL4834035)	Inhibition of EED in human G-401 cells assessed as reduction in H3K27 trimethylation incubated for 48 hrs by HTRF assay
50014366	2	ChEMBL_2124814 (CHEMBL4834047)	Inhibition of COX1 (unknown origin)
50014369	1	ChEMBL_2124819 (CHEMBL4834052)	Binding affinity to L19-IL2 (unknown origin) by fluorescence polarization assay
50014369	2	ChEMBL_2124820 (CHEMBL4834053)	Binding affinity to human serum albumin by fluorescence polarization assay
50014369	3	ChEMBL_2124822 (CHEMBL4834055)	Binding affinity to TNF (unknown origin)
50014369	4	ChEMBL_2124824 (CHEMBL4834057)	Binding affinity to IL2 (unknown origin) preincubated for 15 mins followed by NARA1 addition and measured after 1 hr in presence of NARA1 by ELISA
50014369	5	ChEMBL_2124825 (CHEMBL4834058)	Binding affinity to IL2 (unknown origin) by SPR assay
50014371	1	ChEMBL_2124827 (CHEMBL4834060)	Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated for 10 mins followed by PHA addition and measured after 20 to 24 hrs by ELISA
50014371	2	ChEMBL_2124927 (CHEMBL4834160)	Inhibition of Orai1/STIM1 (unknown origin) expressed in HEK293 cells assessed as reduction in Ca2+-release activated Ca2+ entry current by manual patch clamp based electrophysiological method
50014371	3	ChEMBL_2124933 (CHEMBL4834166)	Inhibition of human ERG by FLIPR TETRA method
50014371	4	ChEMBL_2124957 (CHEMBL4834190)	Inhibition of IL2 in thapsigargin stimulated human whole blood
50014371	5	ChEMBL_2124958 (CHEMBL4834191)	Inhibition of TNF-alpha in thapsigargin stimulated human whole blood
50014371	6	ChEMBL_2124966 (CHEMBL4834199)	Inhibition of human STIM1/Orai1 expressed in HEK293 cells assessed as reduction in Orai1 current by electrophysiological method
50014371	7	ChEMBL_2124967 (CHEMBL4834200)	Inhibition of human STIM1/Orai3 expressed in HEK293 cells assessed as reduction in Orai3 current by electrophysiological method
50014371	8	ChEMBL_2124968 (CHEMBL4834201)	Inhibition of Orai1/STIM1 (unknown origin)
50014371	9	ChEMBL_2124969 (CHEMBL4834202)	Inhibition of Orai2/STIM1 (unknown origin)
50014372	1	ChEMBL_2125024 (CHEMBL4834257)	Positive allosteric modulation of human nAChRalpha7 expressed in HEK cells co-expressing RIC3 assessed as effect on acetylcholine-evoked current by patch clamp electrophysiological assay
50014374	1	ChEMBL_2125026 (CHEMBL4834259)	Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	2	ChEMBL_2125028 (CHEMBL4834261)	Inhibition of RET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	3	ChEMBL_2125029 (CHEMBL4834262)	Inhibition of BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	4	ChEMBL_2125030 (CHEMBL4834263)	Inhibition of NPM-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	5	ChEMBL_2125031 (CHEMBL4834264)	Inhibition of BLK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	6	ChEMBL_2125032 (CHEMBL4834265)	Inhibition of BMX (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	7	ChEMBL_2125033 (CHEMBL4834266)	Inhibition of FGFR1 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	8	ChEMBL_2125034 (CHEMBL4834267)	Inhibition of FGFR2 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	9	ChEMBL_2125035 (CHEMBL4834268)	Inhibition of FGFR3 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	10	ChEMBL_2125036 (CHEMBL4834269)	Inhibition of FGFR4 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	11	ChEMBL_2125037 (CHEMBL4834270)	Inhibition of FLT1 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	12	ChEMBL_2125038 (CHEMBL4834271)	Inhibition of FLT3 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	13	ChEMBL_2125039 (CHEMBL4834272)	Inhibition of FMS (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	14	ChEMBL_2125040 (CHEMBL4834273)	Inhibition of IGF1R (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	15	ChEMBL_2125041 (CHEMBL4834274)	Inhibition of INSR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	16	ChEMBL_2125042 (CHEMBL4834275)	Inhibition of JAK2 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	17	ChEMBL_2125043 (CHEMBL4834276)	Inhibition of KDR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	18	ChEMBL_2125044 (CHEMBL4834277)	Inhibition of KIT (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	19	ChEMBL_2125045 (CHEMBL4834278)	Inhibition of LCK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	20	ChEMBL_2125046 (CHEMBL4834279)	Inhibition of LYN (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	21	ChEMBL_2125047 (CHEMBL4834280)	Inhibition of MER (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	22	ChEMBL_2125048 (CHEMBL4834281)	Inhibition of MET (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	23	ChEMBL_2125049 (CHEMBL4834282)	Inhibition of PDGFRalpha (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	24	ChEMBL_2125050 (CHEMBL4834283)	Inhibition of PDGFRbeta (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	25	ChEMBL_2125051 (CHEMBL4834284)	Inhibition of RON (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	26	ChEMBL_2125052 (CHEMBL4834285)	Inhibition of ROS (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	27	ChEMBL_2125053 (CHEMBL4834286)	Inhibition of SRC (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	28	ChEMBL_2125054 (CHEMBL4834287)	Inhibition of SYK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	29	ChEMBL_2125055 (CHEMBL4834288)	Inhibition of TIE1 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	30	ChEMBL_2125056 (CHEMBL4834289)	Inhibition of TRKA (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	31	ChEMBL_2125057 (CHEMBL4834290)	Inhibition of TRKB (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	32	ChEMBL_2125058 (CHEMBL4834291)	Inhibition of TRKC (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	33	ChEMBL_2125059 (CHEMBL4834292)	Inhibition of TYRO3 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	34	ChEMBL_2125060 (CHEMBL4834293)	Inhibition of ZAP70 (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	35	ChEMBL_2125061 (CHEMBL4834294)	Inhibition of Tel fused KDR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 48 hrs by cell proliferation assay
50014374	36	ChEMBL_2125062 (CHEMBL4834295)	Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay
50014374	37	ChEMBL_2125083 (CHEMBL4834316)	Inhibition of CCDC6-RET fusion protein (unknown origin) expressed in human LC-2-ad cells assessed as reduction in cell proliferation incubated for 6 days by d CellTiter Glo assay
50014374	38	ChEMBL_2125084 (CHEMBL4834317)	Displacement of [3H]-dofetilide from human ERG expressed in CHO cell after 90 mins by microbeta liquid scintillation counting method
50014374	39	ChEMBL_2125085 (CHEMBL4834318)	Inhibition of human ERG expressed in CHO cells by manual patch clamp assay
50014375	1	ChEMBL_2125111 (CHEMBL4834344)	Inhibition of APN in pig kidney microsomes assessed as reduction in p-nitroanilide release using L-leu-p-nitroanilide as substrate incubated for 30 mins by UV absorption based analysis
50014375	2	ChEMBL_2125115 (CHEMBL4834348)	Inhibition of AKT1 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-Glo reagent based luminescence analysis
50014376	1	ChEMBL_2125132 (CHEMBL4834365)	Inhibition of human CYP3A4 using testosterone as a substrate by LC/MS/MS analysis
50014376	2	ChEMBL_2125140 (CHEMBL4834373)	Inhibition of human CYP2C9 using 7-methoxy-4(trifluoromethyl coumarin) as a substrate incubated for 15 mins by fluorescence based analysis
50014376	3	ChEMBL_2125141 (CHEMBL4834374)	Inhibition of human CYP2D6 using 3-[2-(N,N-diethylamino)ethyl]-7-methoxy-4-methyl coumarin as a substrate incubated for 45 mins by fluorescence based analysis
50014380	1	ChEMBL_2125154 (CHEMBL4834499)	Inhibition of rat UT-A1 expressed in MDCK cells incubated for 15 mins by fluorescence plate reader assay
50014380	2	ChEMBL_2125155 (CHEMBL4834500)	Inhibition of rat UT-B incubated for 15 mins
50014382	1	ChEMBL_2125194 (CHEMBL4834539)	Displacement of BODIPY FL vindoline from GST-tagged human PXR LBD incubated for 60 mins by TR-FRET assay
50014382	2	ChEMBL_2125196 (CHEMBL4834541)	Agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by luciferase reporter assay
50014382	3	ChEMBL_2125198 (CHEMBL4834543)	Inverse agonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs by luciferase reporter assay
50014382	4	ChEMBL_2125200 (CHEMBL4834545)	Antagonist activity at human PXR expressed in HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter incubated for 24 hrs in presence of 5 uM rifampicin by luciferase reporter assay
50014383	1	ChEMBL_2125212 (CHEMBL4834557)	Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 20 mins by HPLC analysis
50014383	2	ChEMBL_2125213 (CHEMBL4834558)	Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 7 hrs by HPLC analysis
50014383	3	ChEMBL_2125215 (CHEMBL4834560)	Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptophan as substrate at pH 7.4 incubated for 20 mins by HPLC analysis
50014384	1	ChEMBL_2125307 (CHEMBL4834652)	Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentration 9 nM using Arg-AMC as substrate preincubated for 15 mins followed by substrate addition and measured every 10 mins for 300 mins by fluorescence based assay
50014384	2	ChEMBL_2125316 (CHEMBL4834661)	Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 15 mins followed by ionophore stimulation and measured after 15 hrs by EIA assay
50014384	3	ChEMBL_2125318 (CHEMBL4834663)	Displacement of [3H]dofetilide from recombinant human ERG stably expressed in HEK293 cell membranes measured after 90 mins by microbeta liquid scintillation counting method
50014384	4	ChEMBL_2125319 (CHEMBL4834664)	Reversible inhibition of CYP2C9 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
50014384	5	ChEMBL_2125320 (CHEMBL4834665)	Reversible inhibition of CYP2D6 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
50014384	6	ChEMBL_2125321 (CHEMBL4834666)	Reversible inhibition of CYP3A5 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS analysis
50014384	7	ChEMBL_2125322 (CHEMBL4834667)	Displacement of [3H]WIN35428 from recombinant human dopamine transporter by radioligand binding assay
50014384	8	ChEMBL_2125340 (CHEMBL4834685)	Inhibition of Nav1.5 (unknown origin)
50014384	9	ChEMBL_2125342 (CHEMBL4834687)	Inhibition of human ERG by manual patch clamp assay
50014384	10	ChEMBL_2125344 (CHEMBL4834689)	Inhibition of human ERG by Qpatch method
50014384	11	ChEMBL_2125345 (CHEMBL4834690)	Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ionophore stimulation and measured after 15 hrs by EIA assay
50014384	12	ChEMBL_2125346 (CHEMBL4834691)	Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ionophore stimulation and measured after 2 hrs by EIA assay
50014384	13	ChEMBL_2125347 (CHEMBL4834692)	Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentration <1 nM using Arg-AMC as substrate preincubated for 15 mins followed by substrate addition and measured every 10 mins for 300 mins by fluorescence based assay
50014385	1	ChEMBL_2125418 (CHEMBL4834763)	Inhibition of islet amyloid polypeptide (unknown origin) aggregation after 24 hrs by thioflavin T based fluorescence assay
50014386	1	ChEMBL_2125454 (CHEMBL4834799)	Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of dextromethorphan O-demethylation using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition by UPLC-MS/MS analysis
50014387	1	ChEMBL_2125493 (CHEMBL4834838)	Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis
50014387	2	ChEMBL_2125494 (CHEMBL4834839)	Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis
50014387	3	ChEMBL_2125495 (CHEMBL4834840)	Agonist activity at human MT1 receptor expressed in CHO cells assessed as increase in forskolin induced cAMP production incubated at 37 degreeC by HitHunter-cAMP assay
50014387	4	ChEMBL_2125496 (CHEMBL4834841)	Agonist activity at human MT2 receptor expressed in CHO cells assessed as increase in cAMP production incubated at 37 degreeC by fluorometric method
50014387	5	ChEMBL_2125508 (CHEMBL4834853)	Agonist activity at human MT1 receptor expressed in CHO cells assessed as increase in cAMP levels incubated at 28 degreeC by cellular dielectric spectroscopic analysis
50014388	1	ChEMBL_2125629 (CHEMBL4834974)	Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dynamic mass redistribution response by DMR assay
50014388	2	ChEMBL_2125630 (CHEMBL4834975)	Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as desensitization of zaprinast-induced DMR response preincubated for 1 hr followed by zaprinast stimulation by DMR desensitization assay
50014388	3	ChEMBL_2125631 (CHEMBL4834976)	Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as reduction in dynamic mass redistribution response in presence of GPR35 antagonist ML-145 by DMR assay
50014388	4	ChEMBL_2125632 (CHEMBL4834977)	Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as dynamic mass redistribution response by DMR assay
50014388	5	ChEMBL_2125633 (CHEMBL4834978)	Agonist activity at human GPR35 receptor expressed in CHO-K1 cells assessed as desensitization of zaprinast-induced DMR response preincubated for 1 hr followed by zaprinast stimulation by DMR desensitization assay
50014388	6	ChEMBL_2125639 (CHEMBL4834984)	Agonist activity at human GPR35 receptor expressed in HEK293T cells co-expressing beta-arrestin2 assessed as induction of beta-arrestin2 recruitment by BRET assay
50014388	7	ChEMBL_2125640 (CHEMBL4834985)	Agonist activity at human GPR35 receptor expressed in HT-29 cells assessed as dynamic mass redistribution response measured for 60 mins by DMR assay
50014388	8	ChEMBL_2125641 (CHEMBL4834986)	Agonist activity at human GPR35 receptor by beta-arrestin assay
50014388	9	ChEMBL_2125642 (CHEMBL4834987)	Agonist activity at human GPR35 receptor by DMR assay
50014392	1	ChEMBL_2125643 (CHEMBL4834988)	Inhibition of recombinant SAE (unknown origin) assessed as reduction in transfer of SUMO1 to UBC9 using SUMO1 as a substrate in presence of ATP at Km concentration by HTRF assay
50014392	2	ChEMBL_2125645 (CHEMBL4834990)	Inhibition of recombinant NAE (unknown origin) in presence of ATP at Km concentration by HTRF assay
50014392	3	ChEMBL_2125646 (CHEMBL4834991)	Inhibition of SAE (unknown origin) using SUMO1 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assay
50014392	4	ChEMBL_2125647 (CHEMBL4834992)	Inhibition of SAE (unknown origin) using SUMO2 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assay
50014392	5	ChEMBL_2125649 (CHEMBL4834994)	Inhibition of NAE (unknown origin) using Nedd-8 as substrate incubated for 60 mins in presence of ATP and PPi by pyrophosphate exchange assay
50014392	6	ChEMBL_2125650 (CHEMBL4834995)	Inhibition of SAE in human HCT116 cells assessed as reduction in conjugation of SUMO proteins to UBC9 by Western blot analysis
50014392	7	ChEMBL_2125652 (CHEMBL4834997)	Inhibition of NAE in human HCT116 cells assessed as reduction in conjugation of Nedd8 to UBC10 by Western blot analysis
50014392	8	ChEMBL_2125653 (CHEMBL4834998)	Inhibition of SAE in human HCT116 cells assessed as reduction in redistribution of SUMO2/3 proteins from nucleus to cytosol incubated for 4 hrs by immunofluorescence assay
50014392	9	ChEMBL_2125658 (CHEMBL4835003)	Inhibition of SAE in human HCT116 cells assessed as redistribution of SUMO2/3 proteins from nucleus to cytosol preincubated for 2 hrs followed by compound washout and measured immediately by immunofluorescence assay
50014392	10	ChEMBL_2125659 (CHEMBL4835004)	Inhibition of SAE in human HCT116 cells assessed as redistribution of SUMO2/3 proteins from nucleus to cytosol preincubated for 2 hrs followed by compound washout and measured after 8 hrs by immunofluorescence assay
50014392	11	ChEMBL_2125676 (CHEMBL4835021)	Inhibition of human erythrocyte CA1 using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assay
50014392	12	ChEMBL_2125677 (CHEMBL4835022)	Inhibition of recombinant human CA2 expressed in Escherichia coli using fluorescein diacetate as substrate at pH 3.5 by fluorometric esterase assay
50014393	1	ChEMBL_2125693 (CHEMBL4835038)	Inhibition of HDAC1 (unknown origin)
50014393	2	ChEMBL_2125694 (CHEMBL4835039)	Inhibition of HDAC2 (unknown origin)
50014393	3	ChEMBL_2125695 (CHEMBL4835040)	Inhibition of HDAC3 (unknown origin)
50014393	4	ChEMBL_2125696 (CHEMBL4835041)	Inhibition of HDAC6 (unknown origin)
50014393	5	ChEMBL_2125697 (CHEMBL4835042)	Inhibition of recombinant HDAC1 (unknown origin)
50014393	6	ChEMBL_2125698 (CHEMBL4835043)	Inhibition of recombinant HDAC2 (unknown origin)
50014393	7	ChEMBL_2125699 (CHEMBL4835044)	Inhibition of recombinant HDAC3 (unknown origin)
50014393	8	ChEMBL_2125700 (CHEMBL4835045)	Inhibition of recombinant HDAC6 (unknown origin)
50014393	9	ChEMBL_2125701 (CHEMBL4835046)	Inhibition of recombinant full length C-terminal FLAG His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetry analysis
50014393	10	ChEMBL_2125702 (CHEMBL4835047)	Inhibition of recombinant full length C-terminal GST fusion-tagged human HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorimetry analysis
50014393	11	ChEMBL_2125703 (CHEMBL4835048)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using RHK-K(Ac)-AMCas substrate measured after 60 mins by fluorimetry analysis
50014393	12	ChEMBL_2125704 (CHEMBL4835049)	Inhibition of recombinant full length N-terminal GST fusion-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as substrate measured after 90 mins by fluorimetry analysis
50014393	13	ChEMBL_2125705 (CHEMBL4835050)	Inhibition of DNMT1 (unknown origin) by TR-FRET assay
50014393	14	ChEMBL_2125706 (CHEMBL4835051)	Inhibition of G9a (unknown origin) by TR-FRET assay
50014393	15	ChEMBL_2125707 (CHEMBL4835052)	Inhibition of G9a (685 to 1000 residues) (unknown origin) expressed in Escherichia coli BL21
50014393	16	ChEMBL_2125708 (CHEMBL4835053)	Inhibition of mouse thymus 6His-sumo-tagged G9a (969 to 1263 residues) expressed in Escherichia coli BL21 (DE3) using histone H3 as substrate incubated for 30 mins by MALDI-TOF-MS analysis
50014393	17	ChEMBL_2125709 (CHEMBL4835054)	Inhibition of HDAC in human HeLa cells using BOC-K(Ac)-AMC as substrate preincubated for 3 hrs followed by substrate addition and measured after 3 hrs by fluorescence assay
50014393	18	ChEMBL_2125710 (CHEMBL4835055)	Inhibition of DNMT1 (unknown origin)
50014393	19	ChEMBL_2125711 (CHEMBL4835056)	Inhibition of full length human C-terminal His-tagged/C-terminal Flag-tagged HDAC1 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence plate reader assay
50014393	20	ChEMBL_2125712 (CHEMBL4835057)	Inhibition of full length human C-terminal His-tagged HDAC2 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence plate reader assay
50014393	21	ChEMBL_2125713 (CHEMBL4835058)	Inhibition of full length human C-terminal His-tagged HDAC3/human N-terminal GST-agged NCOR2 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence plate reader assay
50014393	22	ChEMBL_2125714 (CHEMBL4835059)	Inhibition of full length human N-terminal GST-tagged HDAC6 using fluorogenic acetylated peptide as substrate incubated for 30 mins by fluorescence plate reader assay
50014393	23	ChEMBL_2125715 (CHEMBL4835060)	Inhibition of human G9a enzyme using histone monomethyl-H3K9 peptide as substrate incubated for 1 hr in presence of SAM by TR-FRET assay
50014393	24	ChEMBL_2125716 (CHEMBL4835061)	Inhibition of human DNMT1 enzyme using polydeoxy-inosine polydeoxy-cytosine DNA as substrate incubated for 15 mins in presence of SAM by TR-FRET assay
50014395	1	ChEMBL_2125758 (CHEMBL4835103)	Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	2	ChEMBL_2125759 (CHEMBL4835104)	Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	3	ChEMBL_2125760 (CHEMBL4835105)	Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD2 domain Y348A or Y73A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	4	ChEMBL_2125761 (CHEMBL4835106)	Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	5	ChEMBL_2125762 (CHEMBL4835107)	Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD2 domain Y309A or Y66A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	6	ChEMBL_2125763 (CHEMBL4835108)	Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014395	7	ChEMBL_2125766 (CHEMBL4835111)	Inhibition of human ERG
50014401	1	ChEMBL_2125778 (CHEMBL4835123)	Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate from recombinant full length C-terminal FLAG-tagged FKBP51 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by fluorescence polarisation competition binding assay
50014401	2	ChEMBL_2125779 (CHEMBL4835124)	Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate from recombinant full length C-terminal FLAG-tagged FKBP52 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by fluorescence polarisation competition binding assay
50014401	3	ChEMBL_2125781 (CHEMBL4835126)	Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate from recombinant full length C-terminal FLAG-tagged FKBP12 (unknown origin) expressed in Escherichia coli BL21 (DE2) cells incubated for 30 mins by fluorescence polarisation competition binding assay
50014401	4	ChEMBL_2125783 (CHEMBL4835128)	Displacement of fluorescent tracer 5-(3-(4-((1S,5S,6S)-10-(3,5-dichlorophenylsulfonyl)-2-oxo-3-(pyridin-3-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl)-1H-1,2,3-triazol-1-yl)propylcarbamoyl)-2-(6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl)benzoate from recombinant full length C-terminal FLAG-tagged FKBP12.6 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by fluorescence polarisation competition assay
50014401	5	ChEMBL_2125785 (CHEMBL4835130)	Binding affinity to FKBP51 FK1 domain (unknown origin) assessed as dissociation constant at 25 degreeC by isothermal titration calorimetric analysis
50014402	1	ChEMBL_2125808 (CHEMBL4835153)	Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay
50014402	2	ChEMBL_2125810 (CHEMBL4835155)	Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay
50014402	3	ChEMBL_2125811 (CHEMBL4835156)	Binding affinity to human MT1 expressed in CHO cells
50014402	4	ChEMBL_2125812 (CHEMBL4835157)	Binding affinity to human MT2 expressed in CHO cells
50014402	5	ChEMBL_2125824 (CHEMBL4835169)	Agonist activity at human MT1 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by AlphaScreen assay
50014402	6	ChEMBL_2125825 (CHEMBL4835170)	Agonist activity at human MT2 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by AlphaScreen assay
50014403	1	ChEMBL_2125827 (CHEMBL4835172)	Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 by biochemical assay
50014403	2	ChEMBL_2125829 (CHEMBL4835174)	Inhibition of human recombinant ADAMTS-1 (AA253 to 734) assessed as cleavage of fluorescent substrate using 5(6)-fluorescein-NH-AELQGRPISIAK-5(6)-TAMRA as substrate incubated for 120 mins by biochemical assay
50014403	3	ChEMBL_2125830 (CHEMBL4835175)	Inhibition of human recombinant ADAMTS-4 (AA1 to 520) assessed as cleavage of fluorescent substrate using as TBIS-1 substrate incubated for 180 mins by biochemical assay
50014403	4	ChEMBL_2125831 (CHEMBL4835176)	Inhibition of human recombinant MMP2 (AA34 to 660) assessed as cleavage of fluorescent substrate using 390 MMP FRET as substrate incubated for 30 mins by biochemical assay
50014403	5	ChEMBL_2125832 (CHEMBL4835177)	Inhibition of human recombinant MMP14 (AA112 to 298) assessed as cleavage of fluorescent substrate using 390 MMP FRET as substrate incubated for 30 mins by biochemical assay
50014403	6	ChEMBL_2125833 (CHEMBL4835178)	Inhibition of human recombinant TACE (AA34 to 660) assessed as cleavage of fluorescent substrate using 5FAM-LAQAVRSSSRK-5TAMRA as substrate by biochemical assay
50014403	7	ChEMBL_2125834 (CHEMBL4835179)	Inhibition of ADAM-9 (unknown origin)
50014403	8	ChEMBL_2125835 (CHEMBL4835180)	Inhibition of ADAM-10 (unknown origin)
50014403	9	ChEMBL_2125836 (CHEMBL4835181)	Inhibition of Caspase 3 (unknown origin)
50014403	10	ChEMBL_2125837 (CHEMBL4835182)	Inhibition of Cathepsin D (unknown origin)
50014403	11	ChEMBL_2125838 (CHEMBL4835183)	Inhibition of DPP-IV (unknown origin)
50014403	12	ChEMBL_2125839 (CHEMBL4835184)	Inhibition of MMP-1 (unknown origin)
50014403	13	ChEMBL_2125840 (CHEMBL4835185)	Inhibition of MMP-3 (unknown origin)
50014403	14	ChEMBL_2125841 (CHEMBL4835186)	Inhibition of MMP-7 (unknown origin)
50014403	15	ChEMBL_2125842 (CHEMBL4835187)	Inhibition of MMP-8 (unknown origin)
50014403	16	ChEMBL_2125843 (CHEMBL4835188)	Inhibition of MMP-9 (unknown origin)
50014403	17	ChEMBL_2125844 (CHEMBL4835189)	Inhibition of MMP-13 (unknown origin)
50014403	18	ChEMBL_2125845 (CHEMBL4835190)	Inhibition of MMP-12 (unknown origin)
50014403	19	ChEMBL_2125861 (CHEMBL4835206)	Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 in absence of serum by biochemical assay
50014403	20	ChEMBL_2125862 (CHEMBL4835207)	Inhibition of human recombinant ADAMTS-5 assessed as cleavage of fluorescent substrate using FAM-TBIS-1 in presence of 2% HSA by biochemical assay
50014403	21	ChEMBL_2125867 (CHEMBL4835212)	Inhibition of ADAMTS-5 in C57BL/6 mouse femoral head cartilage assessed as reduction in IL-1alpha stimulated glycosaminoglycan release measured after 3 days
50014403	22	ChEMBL_2125907 (CHEMBL4835252)	Inhibition of full-length human ADAMTS-5 expressed in HEK293-6E cells using AGC incubated for 50 mins by ELISA
50014403	23	ChEMBL_2125910 (CHEMBL4835255)	Inhibition of human recombinant ADAMTS5 using synthetic peptide as substrate by FRET assay
50014403	24	ChEMBL_2125911 (CHEMBL4835256)	Inhibition of human recombinant ADAMTS4 using synthetic peptide as substrate by FRET assay
50014403	25	ChEMBL_2125913 (CHEMBL4835258)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50014403	26	ChEMBL_2125914 (CHEMBL4835259)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50014403	27	ChEMBL_2125926 (CHEMBL4835271)	Inhibition of ADAMTS13 (unknown origin)
50014405	1	ChEMBL_2125951 (CHEMBL4835296)	Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation into template
50014405	2	ChEMBL_2125967 (CHEMBL4835312)	Inhibition of human ERG potassium channel in HEK293 cells by manual patch-clamp electrophysiology
50014407	1	ChEMBL_2125968 (CHEMBL4835313)	Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry
50014407	2	ChEMBL_2125970 (CHEMBL4835315)	Inhibition of recombinant human pancreatic CPB incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry
50014407	3	ChEMBL_2125982 (CHEMBL4835327)	Inhibition of recombinant human plasma CPN incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry
50014407	4	ChEMBL_2125989 (CHEMBL4835334)	Inhibition of TAFI in Sprague-Dawley rat blood TAFI incubated for 2 mins using hippuryl-arginine as substrate by thromboelastometry analysis
50014410	1	ChEMBL_2126002 (CHEMBL4835347)	Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3A by time-resolved FRET assay
50014410	2	ChEMBL_2126003 (CHEMBL4835348)	Binding affinity to human LC3A expressed in Escherichia coli BL21-(DE3) by isothermal titration calorimetry
50014410	3	ChEMBL_2126005 (CHEMBL4835350)	Displacement of sGFP-p62-LIR peptide from human N-terminal SNAP-fused LC3B by time-resolved FRET assay
50014410	4	ChEMBL_2126006 (CHEMBL4835351)	Binding affinity to human LC3B expressed in Escherichia coli BL21-(DE3) by isothermal titration calorimetry
50014411	1	ChEMBL_2126008 (CHEMBL4835353)	Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiology
50014411	2	ChEMBL_2126013 (CHEMBL4835358)	Inhibition of human TRPM8 expressed in HEK293T cells assessed as blocked of menthol-activated current by whole cell patch clamp electrophysiology relative to control
50014411	3	ChEMBL_2126014 (CHEMBL4835359)	Inhibition of mouse TRPM1 expressed in HEK293T cells assessed as blocked of capsaicin-activated current at 10 uM by whole cell patch clamp electrophysiology relative to control
50014411	4	ChEMBL_2126016 (CHEMBL4835361)	Inhibition of PLA2 (unknown origin) using soybean phosphatidylcholine as substrate preincubated for 30 mins followed incubated for 60 mins after substrate addition by microplate reader relative to control
50014414	1	ChEMBL_2126070 (CHEMBL4835415)	Agonist activity at human RXRalpha transfected in human HEK293T cells co-expressing pFR/pRL-Luc incubated for 14 to 16 hrs by hybrid reporter gene assay
50014414	2	ChEMBL_2126071 (CHEMBL4835416)	Agonist activity at human RXRbeta transfected in human HEK293T cells co-expressing pFR/pRL-Luc incubated for 14 to 16 hrs by hybrid reporter gene assay
50014414	3	ChEMBL_2126072 (CHEMBL4835417)	Agonist activity at human RXRgamma transfected in human HEK293T cells co-expressing pFR/pRL-Luc incubated for 14 to 16 hrs by hybrid reporter gene assay
50014415	1	ChEMBL_2126105 (CHEMBL4835450)	Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50014415	2	ChEMBL_2126107 (CHEMBL4835452)	Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated for 20 mins followed by anti-IgM antibody stimulation and measured after 30 mins by alphascreen assay
50014415	3	ChEMBL_2126109 (CHEMBL4835454)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in anti-CD79b antibody-induced CD69 expression preincubated for 60 mins followed by anti-CD79b antibody stimulation and measured after 3 hrs by FACS analysis
50014415	4	ChEMBL_2126128 (CHEMBL4835473)	Inhibition of PI3Kdelta in human whole blood assessed as reduction in antihuman IgE antibody-stimulated CD63 expression preincubated for 30 mins followed by antihuman IgE antibody stimulation and measured after 20 mins by FACS analysis
50014415	5	ChEMBL_2126129 (CHEMBL4835474)	Inhibition of mouse PI3Kdelta
50014415	6	ChEMBL_2126135 (CHEMBL4835480)	Inhibition of hERG (unknown origin)
50014415	7	ChEMBL_2126136 (CHEMBL4835481)	Inhibition of Cav1.2 (unknown origin)
50014415	8	ChEMBL_2126137 (CHEMBL4835482)	Inhibition of Nav1.5 (unknown origin)
50014415	9	ChEMBL_2126138 (CHEMBL4835483)	Inhibition of CYP1A2 (unknown origin)
50014415	10	ChEMBL_2126139 (CHEMBL4835484)	Inhibition of CYP2B6 (unknown origin)
50014415	11	ChEMBL_2126140 (CHEMBL4835485)	Inhibition of CYP2C8 (unknown origin)
50014415	12	ChEMBL_2126141 (CHEMBL4835486)	Inhibition of CYP3A4 (unknown origin)
50014415	13	ChEMBL_2126142 (CHEMBL4835487)	Inhibition of CYP2C9 (unknown origin)
50014415	14	ChEMBL_2126143 (CHEMBL4835488)	Inhibition of CYP2C19 (unknown origin)
50014415	15	ChEMBL_2126144 (CHEMBL4835489)	Inhibition of CYP2D6 (unknown origin)
50014416	1	ChEMBL_2126179 (CHEMBL4835524)	Inhibition of interaction between human KEAP1 Kelch domain/FAM-Nrf2 using Cy5-Nrf2 incubated for 10 to 15 mins by competitive fluorescence polarization assay
50014416	2	ChEMBL_2126181 (CHEMBL4835526)	Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by surface plasmon resonance method
50014416	3	ChEMBL_2126183 (CHEMBL4835528)	Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by saturation transfer difference-NMR analysis
50014417	1	ChEMBL_2126190 (CHEMBL4835535)	Binding affinity to MAT2A (unknown origin) by surface plasmon resonance assay
50014417	2	ChEMBL_2126193 (CHEMBL4835538)	Inhibition of MAT2A (unknown origin) mass spectrometry-based ultrafiltration assay
50014417	3	ChEMBL_2126195 (CHEMBL4835540)	Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as substrate incubated for 60 mins followed by substrate addition and measured after 60 mins
50014417	4	ChEMBL_2126229 (CHEMBL4835574)	Inhibition of UGT1A1 (unknown origin)
50014417	5	ChEMBL_2126230 (CHEMBL4835575)	Inhibition of OATP1B1 (unknown origin)
50014417	6	ChEMBL_2126231 (CHEMBL4835576)	Inhibition of CYP3A4 (unknown origin)
50014417	7	ChEMBL_2126232 (CHEMBL4835577)	Inhibition of CYP2C9 (unknown origin)
50014417	8	ChEMBL_2126233 (CHEMBL4835578)	Inhibition of CYP2C19 (unknown origin)
50014417	9	ChEMBL_2126234 (CHEMBL4835579)	Inhibition of CYP2D6 (unknown origin)
50014419	1	ChEMBL_2126308 (CHEMBL4835653)	Inhibition of human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance assay
50014421	1	ChEMBL_2126375 (CHEMBL4835720)	Displacement of 5-FAM labeled PMDM6-F from GST-tagged human recombinant MDM2 (1 to 118 residues) expressed in Escherichia coli incubated for 0.5 hrs by competitive fluorescence polarization assay
50014421	2	ChEMBL_2126427 (CHEMBL4835772)	Displacement of fluorescent F4 peptide from MDM2 (1 to 125 residues) (unknown origin) expressed in Escherichia coli by fluorescence polarization assay
50014426	1	ChEMBL_2126428 (CHEMBL4835773)	Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and measured after 30 mins by FLucK529Ac based luminescence assay
50014426	2	ChEMBL_2126429 (CHEMBL4835774)	Inhibition of His6-tagged/TEV fused SIRT2 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and measured after 30 mins by FLucK529Ac based luminescence assay
50014426	3	ChEMBL_2126430 (CHEMBL4835775)	Inhibition of His6-tagged/TEV fused SIRT3 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and measured after 30 mins by FLucK529Ac based luminescence assay
50014426	4	ChEMBL_2126435 (CHEMBL4835780)	Uncompetitive inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant measured every 2 mins for 30 mins in presence of NAD+ and ATP by FLucK549Ac based Michaelis-Menten analysis
50014427	1	ChEMBL_2126450 (CHEMBL4835795)	Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	2	ChEMBL_2126452 (CHEMBL4835797)	Antagonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	3	ChEMBL_2126453 (CHEMBL4835798)	Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	4	ChEMBL_2126455 (CHEMBL4835800)	Antagonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	5	ChEMBL_2126456 (CHEMBL4835801)	Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	6	ChEMBL_2126458 (CHEMBL4835803)	Antagonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells assessed as inhibition of NDP-MSH-induced intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014427	7	ChEMBL_2126459 (CHEMBL4835804)	Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 24 hrs by beta-galactosidase reporter gene assay
50014428	1	ChEMBL_2126462 (CHEMBL4835807)	Inhibition of human NAAA using N-(4-methyl coumarin)-palmitamide as fluorogenic substrate preincubated for 90 mins followed by substrate addition by fluorescence assay
50014428	2	ChEMBL_2126464 (CHEMBL4835809)	Inhibition of recombinant human Cathepsin K using Z-Phe-Arg-AMC as fluorogenic substrate preincubated for 120 mins followed by substrate addition by fluorescence assay
50014428	3	ChEMBL_2126502 (CHEMBL4835847)	Inhibition of CYP1A2 (unknown origin)
50014428	4	ChEMBL_2126503 (CHEMBL4835848)	Inhibition of CYP2C19 (unknown origin)
50014428	5	ChEMBL_2126504 (CHEMBL4835849)	Inhibition of CYP3A4 (unknown origin)
50014428	6	ChEMBL_2126505 (CHEMBL4835850)	Inhibition of human ERG
50014428	7	ChEMBL_2126515 (CHEMBL4835860)	Inhibition of NAAA (unknown origin)
50014433	1	ChEMBL_2126542 (CHEMBL4835887)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells after 2 hrs
50014433	2	ChEMBL_2126547 (CHEMBL4835892)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells
50014433	3	ChEMBL_2126549 (CHEMBL4835894)	Inhibition of human NTCP residues (157 to 165) replaced with monkey NTCP -mediated [3H]-TCA uptake expressed in human HepG2 cells
50014433	4	ChEMBL_2126558 (CHEMBL4835903)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 20 % FBS
50014433	5	ChEMBL_2126559 (CHEMBL4835904)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells in presence of 50 % FBS
50014433	6	ChEMBL_2126560 (CHEMBL4835905)	Inhibition of human NTCP-mediated [3H]-TCA uptake expressed in human HepG2 cells pretreated for 2 hrs followed by [3H]-TCA addition in absence of FBS
50014434	1	ChEMBL_2126599 (CHEMBL4835944)	Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis
50014434	2	ChEMBL_2126604 (CHEMBL4835949)	Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production
50014434	3	ChEMBL_2126605 (CHEMBL4835950)	Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 mins
50014435	1	ChEMBL_2126711 (CHEMBL4836056)	Stabilization of AL patient derived fluorescein-labeled IGLV6-57 T46L/F49Y mutant measured after 24 hrs by proteolysis coupled-fluorescence polarization assay
50014435	2	ChEMBL_2126712 (CHEMBL4836057)	Stabilization of AL patient derived full length fluorescein-labeled IGLV6-57 expressed in Escherichia coli BL21 (DE3) measured after 24 hrs by proteolysis coupled-fluorescence polarization assay
50014438	1	ChEMBL_2126720 (CHEMBL4836065)	Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
50014438	2	ChEMBL_2126721 (CHEMBL4836066)	Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
50014438	3	ChEMBL_2126722 (CHEMBL4836067)	Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
50014438	4	ChEMBL_2126723 (CHEMBL4836068)	Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
50014438	5	ChEMBL_2126724 (CHEMBL4836069)	Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
50014438	6	ChEMBL_2126726 (CHEMBL4836071)	Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
50014439	1	ChEMBL_2126771 (CHEMBL4836116)	Binding affinity to DCN1 in human HCC95 cells assessed as increase in thermal stability measured after 1 hr by CETSA
50014439	2	ChEMBL_2126772 (CHEMBL4836117)	Inhibition of DCN1 (unknown origin) dependent cullin neddylation assessed as decrease in NEDD8 transfer from UBE2M to CUL2 using CUL2 as substrate preincubated for 15 mins in presence of ATP followed by substrate addition by fluorescence imaging analysis
50014441	1	ChEMBL_2126937 (CHEMBL4836282)	Inhibition of human PDE2
50014441	2	ChEMBL_2126950 (CHEMBL4836295)	Inhibition of human PDE4
50014441	3	ChEMBL_2126951 (CHEMBL4836296)	Inhibition of human PDE5
50014441	4	ChEMBL_2126952 (CHEMBL4836297)	Inhibition of human PDE6
50014441	5	ChEMBL_2126953 (CHEMBL4836298)	Inhibition of human PDE7
50014441	6	ChEMBL_2126955 (CHEMBL4836300)	Inhibition of human PDE9
50014441	7	ChEMBL_2126956 (CHEMBL4836301)	Inhibition of human PDE10
50014441	8	ChEMBL_2126957 (CHEMBL4836302)	Inhibition of human PDE11
50014442	1	ChEMBL_2126975 (CHEMBL4836320)	Inhibition of JMJD6 (unknown origin) by Succinate-Glo assay
50014442	2	ChEMBL_2126976 (CHEMBL4836321)	Inhibition of KDM3B (unknown origin) by Succinate-Glo assay
50014442	3	ChEMBL_2126977 (CHEMBL4836322)	Inhibition of KDM4D (unknown origin) by Succinate-Glo assay
50014442	4	ChEMBL_2126978 (CHEMBL4836323)	Inhibition of KDM5A (unknown origin) by AlphalLISA assay
50014442	5	ChEMBL_2126979 (CHEMBL4836324)	Inhibition of ALKBH5 (unknown origin) by Succinate-Glo assay
50014442	6	ChEMBL_2126980 (CHEMBL4836325)	Inhibition of JMJD7 (unknown origin) by Succinate-Glo assay
50014442	7	ChEMBL_2126988 (CHEMBL4836333)	Inhibition of JMJD6 (unknown origin)
50014446	1	ChEMBL_2126989 (CHEMBL4836334)	Inhibition of HPGDS in rat RBL cells assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry
50014446	2	ChEMBL_2126991 (CHEMBL4836336)	Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry
50014446	3	ChEMBL_2126997 (CHEMBL4836342)	Inhibition of human HPGDS by fluorescence polarization assay
50014447	1	ChEMBL_2127033 (CHEMBL4836378)	Displacement of Alexafluor 647-conjugated PFI-1 from N-terminal-His6-tagged human BRD4 BD1 domain (44 to 170 residues) incubated for 30 mins by fluorescence polarization assay
50014449	1	ChEMBL_2127056 (CHEMBL4836401)	Inhibition of recombinant wild type EGFR-TK (unknown origin) by ELISA
50014451	1	ChEMBL_2127057 (CHEMBL4836402)	Inhibition of human liver mitochondrial KMO assessed as reduction in 3-HK metabolite formation using L-kynurenine as substrate preincubated for 5 mins followed by substate addition and measured after 30 mins by LC-MS/MS analysis
50014452	1	ChEMBL_2127082 (CHEMBL4836427)	Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimulated calcium mobilization preincubated for 15 mins followed by agonist addition and measured every 1 sec for 90 secs by Calcium-3 dye based FLIPR assay
50014452	2	ChEMBL_2127083 (CHEMBL4836428)	Allosteric antagonist activity at human CB1 receptor expressed in HEK293 cell membrane assessed as inhibition of CP55940-stimulated [35S]GTPgammaS binding incubated for 60 mins by [35S]GTP-gammaS binding assay
50014452	3	ChEMBL_2127084 (CHEMBL4836429)	Allosteric antagonist activity at N-terminal 3HA-tagged human CB1 receptor expressed in HEK293 cells assessed as reduction in CP55940-stimulated inhibition of forskolin-induced cAMP accumulation measured for 20 mins by BRET assay
50014452	4	ChEMBL_2127087 (CHEMBL4836432)	Antagonist activity at human CB2 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimulated calcium mobilization preincubated for 15 mins followed by agonist addition and measured every 1 sec for 90 secs by Calcium-3 dye based FLIPR assay
50014453	1	ChEMBL_2127099 (CHEMBL4836444)	Inhibition of wild type partial length human ROCK1 (M1 to T431 residues) expressed in Mammalian expression system by Euro-fins kinase profiler assay
50014453	2	ChEMBL_2127100 (CHEMBL4836445)	Inhibition of wild type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Euro-fins kinase profiler assay
50014454	1	ChEMBL_2127107 (CHEMBL4836452)	Inhibition of RET wild type (unknown origin)
50014454	2	ChEMBL_2127108 (CHEMBL4836453)	Inhibition of RET V804M mutant (unknown origin)
50014454	3	ChEMBL_2127109 (CHEMBL4836454)	Inhibition of RET M918T mutant (unknown origin)
50014454	4	ChEMBL_2127120 (CHEMBL4836465)	Inhibition of JAK2 (unknown origin)
50014454	5	ChEMBL_2127121 (CHEMBL4836466)	Inhibition of FLT3 (unknown origin)
50014455	1	ChEMBL_2127125 (CHEMBL4836470)	Inhibition of aromatase (unknown origin)
50014456	1	ChEMBL_2127156 (CHEMBL4836501)	Inhibition of PCAF (unknown origin) by fluorometric assay
50014456	2	ChEMBL_2127168 (CHEMBL4836513)	Inhibition of EGFR (unknown origin)
50014457	1	ChEMBL_2127169 (CHEMBL4836514)	Inhibition of HDAC1 (unknown origin)
50014457	2	ChEMBL_2127170 (CHEMBL4836515)	Inhibition of HDAC6 (unknown origin)
50014458	1	ChEMBL_2127216 (CHEMBL4836561)	Binding affinity to 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	2	ChEMBL_2127217 (CHEMBL4836562)	Binding affinity to 6His-Thr-BRD2 (1 to 473 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	3	ChEMBL_2127218 (CHEMBL4836563)	Binding affinity to 6His-Thr-BRD3 (1 to 435 residues) BD2 domain Y348A or Y73A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	4	ChEMBL_2127219 (CHEMBL4836564)	Binding affinity to 6His-Thr-BRD3 (1 to 435 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	5	ChEMBL_2127220 (CHEMBL4836565)	Binding affinity to 6His-FLAG-Tev-BRDT (1 to 397 residues) BD2 domain Y309A or Y66A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	6	ChEMBL_2127221 (CHEMBL4836566)	Binding affinity to 6His-FLAG-Tev-BRDT (1 to 397 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014458	7	ChEMBL_2127224 (CHEMBL4836569)	Inhibition of CYP3A4 (unknown origin) assessed as MDI shift
50014458	8	ChEMBL_2127225 (CHEMBL4836570)	Inhibition of human ERG
50014458	9	ChEMBL_2127228 (CHEMBL4836573)	Inhibition of BSEP (unknown origin)
50014459	1	ChEMBL_2127252 (CHEMBL4836597)	Inhibition of N-terminal His-tagged human recombinant Glycine-N-methyltransferase (1 to 295 residues) expressed in Escherichia coli using glycine and SAM as substrate incubated for 30 mins by HTRF assay
50014460	1	ChEMBL_2127263 (CHEMBL4836608)	Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	2	ChEMBL_2127268 (CHEMBL4836613)	Inhibition of recombinant human BRDT BD2 (250 to 382 residues) expressed in bacterial expression system by bromoscan assay
50014460	3	ChEMBL_2127269 (CHEMBL4836614)	Inhibition of recombinant human BRDT BD1 (21 to 137 residues) expressed in bacterial expression system by bromoscan assay
50014460	4	ChEMBL_2127270 (CHEMBL4836615)	Inhibition of recombinant human BRD4 BD2 (333 to 460 residues) expressed in bacterial expression system by bromoscan assay
50014460	5	ChEMBL_2127271 (CHEMBL4836616)	Inhibition of recombinant human BRD4 BD1 (44 to 168 residues) expressed in bacterial expression system by bromoscan assay
50014460	6	ChEMBL_2127272 (CHEMBL4836617)	Inhibition of recombinant human BRD3 BD2 (306 to 416 residues) expressed in bacterial expression system by bromoscan assay
50014460	7	ChEMBL_2127273 (CHEMBL4836618)	Inhibition of recombinant human BRD2 BD2 (348 to 455 residues) expressed in bacterial expression system by bromoscan assay
50014460	8	ChEMBL_2127274 (CHEMBL4836619)	Inhibition of recombinant human BRD3 BD1 (24 to 144 residues) expressed in bacterial expression system by bromoscan assay
50014460	9	ChEMBL_2127275 (CHEMBL4836620)	Inhibition of recombinant human BRD2 BD1 (71 to 194 residues) expressed in bacterial expression system by bromoscan assay
50014460	10	ChEMBL_2127278 (CHEMBL4836623)	Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	11	ChEMBL_2127280 (CHEMBL4836625)	Inhibition of 6His-FLAG-Tev-BRDT (1 to 397 residues) BD2 domain Y309A or Y66A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	12	ChEMBL_2127281 (CHEMBL4836626)	Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	13	ChEMBL_2127282 (CHEMBL4836627)	Inhibition of 6His-Thr-BRD3 (1 to 435 residues) BD2 domain Y348A or Y73A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	14	ChEMBL_2127283 (CHEMBL4836628)	Inhibition of 6His-Thr-BRD2 (1 to 473 residues) BD2 domain Y386A or Y113A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	15	ChEMBL_2127285 (CHEMBL4836630)	Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD2 domain Y390A mutant (unknown origin) incubated for 30 mins by TR-FRET assay
50014460	16	ChEMBL_2127286 (CHEMBL4836631)	Inhibition of 6His-Thr-BRD4 (1 to 477 residues) BD1 domain (unknown origin) incubated for 30 mins by TR-FRET assay
50014461	1	ChEMBL_2127307 (CHEMBL4836652)	Inhibition of human TLR7 expressed in HEK293-Blue cells assessed as inhibition of R848-induced NF-kappaB/AP-1 activation measured after 20 hrs using quanti-blue as substrate by SEAP reporter gene based spectrophotometry assay
50014461	2	ChEMBL_2127308 (CHEMBL4836653)	Inhibition of human TLR8 expressed in HEK293-Blue cells assessed as inhibition of R848-induced NF-kappaB/AP-1 activation measured after 20 hrs using quanti-blue as substrate by SEAP reporter gene based spectrophotometry assay
50014461	3	ChEMBL_2127309 (CHEMBL4836654)	Inhibition of human TLR9 expressed in HEK293-Blue cells assessed as inhibition of R848-induced NF-kappaB/AP-1 activation measured after 20 hrs using quanti-blue as substrate by SEAP reporter gene based spectrophotometry assay
50014463	1	ChEMBL_2127326 (CHEMBL4836671)	Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate measured after 1.5 hrs by TR-FRET LANCE method
50014463	2	ChEMBL_2127328 (CHEMBL4836673)	Inhibition of CDK9 in human A-431 cells assessed as reduction in RNA polymerase2 phosphorylation at C-terminal ser2 residue incubated for 4 hrs by In-cell Western analysis
50014464	1	ChEMBL_2127368 (CHEMBL4836713)	Inhibition of recombinant human 5-LOX expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by arachidonic acid addition and measured after 10 mins by RP-HPLC method
50014464	2	ChEMBL_2127370 (CHEMBL4836715)	Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of AA and A23187 and measured after 10 mins by RP-HPLC method
50014464	3	ChEMBL_2127378 (CHEMBL4836723)	Inhibition of 5-LOX in human PMNL assessed as reduction in 5-LOX product formation preincubated for 10 mins before addition of A23187 and measured after 10 mins
50014464	4	ChEMBL_2127380 (CHEMBL4836725)	Inhibition of 5-LOX in LPS-stimulated human monocytes assessed as reduction in 5-LOX product formation prestimulated with LPS for 24 hrs followed by compound addition for 15 mins followed by AA and A23187 addition by UPLC-MS.MS analysis
50014465	1	ChEMBL_2127420 (CHEMBL4836765)	Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method
50014465	2	ChEMBL_2127421 (CHEMBL4836766)	Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method
50014465	3	ChEMBL_2127425 (CHEMBL4836770)	Inhibition of CDK1/cyclin B1 (unknown origin) in presence of [32P]gammaATP by image analyser
50014465	4	ChEMBL_2127426 (CHEMBL4836771)	Inhibition of CDK2/cyclin E1 (unknown origin) in presence of [32P]gammaATP by image analyser
50014465	5	ChEMBL_2127427 (CHEMBL4836772)	Inhibition of CDK2/cyclin A2 (unknown origin) in presence of [32P]gammaATP by image analyser
50014465	6	ChEMBL_2127428 (CHEMBL4836773)	Inhibition of CDK4/cyclin D1 (unknown origin) in presence of [32P]gammaATP by image analyser
50014465	7	ChEMBL_2127429 (CHEMBL4836774)	Inhibition of CDK9/cyclin T1 (unknown origin) in presence of [32P]gammaATP by image analyser
50014465	8	ChEMBL_2127430 (CHEMBL4836775)	Inhibition of wild type FLT3 (unknown origin) using AGLT peptide substrate in presence of [32P]gammaATP by image analyser
50014465	9	ChEMBL_2127455 (CHEMBL4836800)	Binding affinity to human partial length FLT3 ITD mutant expressed in bacterial expression system by KdELECT Discover assay
50014465	10	ChEMBL_2127456 (CHEMBL4836801)	Binding affinity to human partial length FLT3 ITD D835V mutant expressed in mammalian expression system by KdELECT Discover assay
50014465	11	ChEMBL_2127457 (CHEMBL4836802)	Binding affinity to human partial length FLT3 ITD F691L mutant expressed in mammalian expression system by KdELECT Discover assay
50014466	1	ChEMBL_2127467 (CHEMBL4836812)	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by addition of substrate and measured after 15 mins by Ellman's method
50014466	2	ChEMBL_2127468 (CHEMBL4836813)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by addition of substrate and measured after 15 mins by Ellman's method
50014466	3	ChEMBL_2127470 (CHEMBL4836815)	Inhibition of human amyloid beta (1 to 42) self-induced aggregation measured after 48 hrs by ThT flourescence assay
50014468	1	ChEMBL_2127474 (CHEMBL4836819)	Inhibition of human PD1/PDL1 protein-protein interaction assessed as undissociated complex after 2 hrs by HTRF assay
50014469	1	ChEMBL_2127513 (CHEMBL4836858)	Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system measured after 60 mins in presence of ATP by ATP-competitive binding assay
50014469	2	ChEMBL_2127514 (CHEMBL4836859)	Inhibition of recombinant human full length His-tagged p110beta expressed in baculovirus expression system measured after 60 mins in presence of ATP by ATP-competitive binding assay
50014469	3	ChEMBL_2127515 (CHEMBL4836860)	Inhibition of recombinant human full length His-tagged p110gamma expressed in baculovirus expression system measured after 60 mins in presence of ATP by ATP-competitive binding assay
50014469	4	ChEMBL_2127516 (CHEMBL4836861)	Inhibition of recombinant human full length His-tagged p110delta/p85alpha expressed in baculovirus expression system measured after 60 mins in presence of ATP by ATP-competitive binding assay
50014470	1	ChEMBL_2127590 (CHEMBL4836935)	Inhibition of DNMT (unknown origin) by densitometric analysis
50014471	1	ChEMBL_2127592 (CHEMBL4836937)	Binding affinity to human partial length BCL2A1 (M1 to G153 residues) expressed in bacterial expression system by BCL2SCAN assay
50014471	2	ChEMBL_2127593 (CHEMBL4836938)	Binding affinity to C-terminal MBP-fused human MCL1 (173 to 321 residues) expressed in Escherichia coli BL21(DE3)pLysS incubated for 2 hrs by fluorescence polarization assay
50014471	3	ChEMBL_2127594 (CHEMBL4836939)	Binding affinity to human partial length BCLW (M1 to R171 residues) expressed in bacterial expression system by BCL2SCAN assay
50014471	4	ChEMBL_2127595 (CHEMBL4836940)	Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins fluorescence polarization-based competitive binding assay
50014471	5	ChEMBL_2127601 (CHEMBL4836946)	Binding affinity to human partial length MCL1 (D172N to R329 residues) expressed in bacterial expression system by BCL2SCAN assay
50014471	6	ChEMBL_2127602 (CHEMBL4836947)	Binding affinity to human partial length BCL2 (M1 to D211 residues) expressed in bacterial expression system by BCL2SCAN assay
50014471	7	ChEMBL_2127603 (CHEMBL4836948)	Binding affinity to human partial length BCL-XL (M1 to R209 residues) expressed in bacterial expression system by BCL2SCAN assay
50014471	8	ChEMBL_2127635 (CHEMBL4836980)	Inhibition of human ERG
50014472	1	ChEMBL_2127676 (CHEMBL4837021)	Inhibition of eIF4A (unknown origin) assessed as inhibition of translation of RNA featuring highly structured 5'-UTR of c-Myc
50014472	2	ChEMBL_2127677 (CHEMBL4837022)	Inhibition of eIF4A (unknown origin) assessed as inhibition of translation of RNA featuring short 5'-UTR of tubulin
50014473	1	ChEMBL_2127680 (CHEMBL4837025)	Inhibition of AF9 YEATS domain (1 to 138 residues) (unknown origin) assessed as inhibition of probe-1 induced AF9 YEATS domain labelling incubated for 10 mins followed by UV-irradiation for 20 mins by Photo-cross linking based In-gel fluorescence scanning analysis
50014473	2	ChEMBL_2127681 (CHEMBL4837026)	Binding affinity to AF9 YEATS domain (1 to 138 residues) (unknown origin) by isothermal titration calorimetry
50014474	1	ChEMBL_2127683 (CHEMBL4837028)	Binding affinity to 15N-labelled Escherichia coli DsbA measured by 1H-15N HSQC NMR spectroscopy
50014474	2	ChEMBL_2127684 (CHEMBL4837029)	Inhibition of Escherichia coli DsbA using DOTA/Eu(III)-CQQGFDGTQNSCK-MCA as substrate in presence of oxidized glutathione measured by fluorescence analysis
50014476	1	ChEMBL_2127689 (CHEMBL4837034)	Inhibition of human recombinant SIRT3 assessed as inhibition of substrate deacetylation using Gln-Pro-Lys-Lys- (epsilon acetyl) AMC peptide as substrate in presence of NAD+ measured by fluorescence based analysis
50014476	2	ChEMBL_2127690 (CHEMBL4837035)	Inhibition of human recombinant SIRT2 assessed as inhibition of substrate deacetylation using Gln-Pro-Lys-Lys- (epsilon acetyl) AMC peptide as substrate in presence of NAD+ measured by fluorescence based analysis
50014476	3	ChEMBL_2127691 (CHEMBL4837036)	Inhibition of human recombinant SIRT1 assessed as inhibition of substrate deacetylation using Gln-Pro-Lys-Lys- (epsilon acetyl) AMC peptide as substrate in presence of NAD+ measured by fluorescence based analysis
50014476	4	ChEMBL_2127692 (CHEMBL4837037)	Inhibition of human recombinant SIRT5 assessed as inhibition of substrate desuccinylation using Fluor de Lys-Succinyl green peptide as substrate in presence of NAD+ measured by fluorometric assay
50014476	5	ChEMBL_2127693 (CHEMBL4837038)	Binding affinity to chip-immobilized recombinant human SIRT1 measured after 300 secs by surface plasmon resonance method
50014476	6	ChEMBL_2127694 (CHEMBL4837039)	Binding affinity to chip-immobilized recombinant human SIRT2 measured after 300 secs by surface plasmon resonance method
50014476	7	ChEMBL_2127695 (CHEMBL4837040)	Binding affinity to chip-immobilized recombinant human SIRT3 measured after 300 secs by surface plasmon resonance method
50014476	8	ChEMBL_2127696 (CHEMBL4837041)	Binding affinity to chip-immobilized recombinant human SIRT5 measured after 300 secs by surface plasmon resonance method
50014476	9	ChEMBL_2127697 (CHEMBL4837042)	Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(Biotin) from Europium chelated human BRD4 bromodomain 1 (49 to 170 residues) measured after 2 hrs by TR-FRET assay
50014476	10	ChEMBL_2127698 (CHEMBL4837043)	Displacement of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(Biotin) from Europium chelated human BRD4 bromodomain 2 (342 to 460 residues) measured after 2 hrs by TR-FRET assay
50014477	1	ChEMBL_2127751 (CHEMBL4837096)	Antagonist activity against human TRPA1 expressed in HEK293K cells assessed as inhibition of AITC-induced intracellular calcium accumulation measured after 120 mins by FLIPR assay
50014478	1	ChEMBL_2127752 (CHEMBL4837097)	Binding affinity to DNA-tagged human BRD4 (BD1,2) isoform long expressed in Escherichia coli BL21 incubated for 1 hr by competitive ligand binding BROMOscan assay
50014478	2	ChEMBL_2127753 (CHEMBL4837098)	Inhibition of binding of N-terminal His-tagged human full length recombinant BRD4 (2 to 1362 residues) expressed in baculovirus-infected Sf9 cells with acetylated histone H4 peptide (1 to 21) preincubated for 30 mins followed by H4 ligand addition and measured after 30 mins AlphaScreen assay
50014479	1	ChEMBL_2127756 (CHEMBL4837101)	Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exchange rate in presence of recombinant SOS1/GMPPNP incubated for 1 hr by BODIPY fluorescence assay
50014480	1	ChEMBL_2127757 (CHEMBL4837102)	Inhibition of Delta-5-desaturase (unknown origin) expressed in HEK2936E cell membrane incubated for 1 hr by DGLA-CoA and Arachidonyl-CoA mass spectrometric assay
50014484	1	ChEMBL_2127758 (CHEMBL4837103)	Activation of full length PKG1alpha (unknown origin) using Glass-tide peptide substrate incubated for 120 mins followed by addition of ADP-Glo max reagent incubated for 40 mins
50014484	2	ChEMBL_2127761 (CHEMBL4837106)	Activation of PKG1alpha (unknown origin) in human HEK293 cellls assessed as VSAP phosphorylation at Ser 239 incubated for 3 hrs by HTRF assay
50014485	1	ChEMBL_2127791 (CHEMBL4837136)	Inhibition of N-terminal 6XHis-tagged Clostridium botulinum BoNT/A light chain C-terminal truncation mutant (1 to 425 residues) expressed in Escherichia coli using SNAPtide as substrate preincubated with enzyme for 30 mins followed by substrate addition by FRET assay
50014485	2	ChEMBL_2127792 (CHEMBL4837137)	Inhibition of Clostridium botulinum BoNT/A using SNAP-25 (66-mer) as substrate by LC-MS analysis
50014485	3	ChEMBL_2127793 (CHEMBL4837138)	Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate by FRET based assay
50014485	4	ChEMBL_2127794 (CHEMBL4837139)	Inhibition of Clostridium botulinum BoNT/A light chain
50014488	1	ChEMBL_2127795 (CHEMBL4837140)	Antagonist activity at AR F877L mutant (unknown origin) transfected in human LNCAP cells assessed as inhibition of R1881-stimulated receptor transcriptional activation measured after 20 to 24 hrs by Steady-Glo luciferase assay
50014488	2	ChEMBL_2127796 (CHEMBL4837141)	Antagonist activity at wild type androgen receptor in castration-resistant human LNCaP cells assessed as inhibition of R1881-stimulated receptor transcriptional activation measured after 20 to 24 hrs by Steady-Glo luciferase assay
50014489	1	ChEMBL_2127827 (CHEMBL4837172)	Positive allosteric modulator activity at rat mGlu3 receptor transfected in GIRK channel overexpressing cells assessed as potentiation of glutamate-induced response by thallium mobilization assay
50014489	2	ChEMBL_2127828 (CHEMBL4837173)	Positive allosteric modulator activity at rat mGlu2 receptor transfected in GIRK channel overexpressing cells assessed as potentiation of glutamate-induced response by thallium mobilization assay
50014490	1	ChEMBL_2127944 (CHEMBL4837373)	Direct inhibition of CYP3A4 in human hepatocytes
50014490	2	ChEMBL_2127946 (CHEMBL4837375)	Inhibition of CYP2D6 in human hepatocytes
50014490	3	ChEMBL_2127947 (CHEMBL4837376)	Inhibition of CYP2C19 in human hepatocytes
50014490	4	ChEMBL_2127948 (CHEMBL4837377)	Inhibition of CYP1A2 in human hepatocytes
50014490	5	ChEMBL_2127949 (CHEMBL4837378)	Inhibition of CYP2B6 in human hepatocytes
50014490	6	ChEMBL_2127950 (CHEMBL4837379)	Inhibition of CYP2C8 in human hepatocytes
50014490	7	ChEMBL_2127951 (CHEMBL4837380)	Inhibition of CYP2C9 in human hepatocytes
50014490	8	ChEMBL_2127956 (CHEMBL4837385)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells
50014490	9	ChEMBL_2127957 (CHEMBL4837386)	Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells
50014490	10	ChEMBL_2127958 (CHEMBL4837387)	Inhibition of OAT1 (unknown origin) expressed in HEK293 cells
50014490	11	ChEMBL_2127959 (CHEMBL4837388)	Inhibition of OAT3 (unknown origin) expressed in HEK293 cells
50014490	12	ChEMBL_2127960 (CHEMBL4837389)	Inhibition of OCT1 (unknown origin) expressed in HEK293 cells
50014490	13	ChEMBL_2127961 (CHEMBL4837390)	Inhibition of OCT2 (unknown origin) expressed in HEK293 cells
50014492	1	ChEMBL_2128135 (CHEMBL4837564)	Binding affinity to mu-opioid receptor (unknown origin)
50014492	2	ChEMBL_2128136 (CHEMBL4837565)	Binding affinity to delta-opioid receptor (unknown origin)
50014492	3	ChEMBL_2128137 (CHEMBL4837566)	Binding affinity to kappa-opioid receptor (unknown origin)
50014492	4	ChEMBL_2128138 (CHEMBL4837567)	Binding affinity to 5-HT1 (unknown origin)
50014492	5	ChEMBL_2128139 (CHEMBL4837568)	Binding affinity to 5-HT5A (unknown origin)
50014492	6	ChEMBL_2128140 (CHEMBL4837569)	Binding affinity to GABBA alpha5 (unknown origin)
50014492	7	ChEMBL_2128141 (CHEMBL4837570)	Binding affinity to GABBA alpha1 (unknown origin)
50014492	8	ChEMBL_2128142 (CHEMBL4837571)	Binding affinity to GABBA alpha2 (unknown origin)
50014492	9	ChEMBL_2128143 (CHEMBL4837572)	Binding affinity to GABBA alpha3 (unknown origin)
50014492	10	ChEMBL_2128144 (CHEMBL4837573)	Binding affinity to GABBA alpha6 (unknown origin)
50014496	1	ChEMBL_2128264 (CHEMBL4837693)	Inhibition of human ERG expressed in HEK293 cells by whole cell manual patch clamp assay
50014496	2	ChEMBL_2128266 (CHEMBL4837695)	Inhibition of MAO-A (unknown origin) using kynuramine as substrate preincubated for 5 mins with substrate followed by enzyme addition and measured after 15 mins by LC-MS/MS analysis
50014496	3	ChEMBL_2128267 (CHEMBL4837696)	Inhibition of MAO-B (unknown origin) using kynuramine as substrate preincubated for 5 mins with substrate followed by enzyme addition and measured after 15 mins by LC-MS/MS analysis
50014497	1	ChEMBL_2128404 (CHEMBL4837833)	Inhibition of TrxR1 (unknown origin) assessed as reduction in DTNB to TNB by colorimetric assay
50014497	2	ChEMBL_2128405 (CHEMBL4837834)	Inhibition of IKKalpha (unknown origin) by ADP-Glo kinase assay
50014497	3	ChEMBL_2128408 (CHEMBL4837837)	Inhibition of human NADPH oxidase 4 by quantitative sandwich enzyme immunoassay technique
50014498	1	ChEMBL_2128455 (CHEMBL4837884)	Inhibition of FAM-Bim peptide binding to human Bcl-2 (2 to 206) measured after 30 mins by fluorescence polarization assay
50014500	1	ChEMBL_2128479 (CHEMBL4837908)	Inhibition of human full length recombinant ASK1 using STK-Substrate-3 biotin as substrate in presence of ATP measured after 2 hrs by HTRP kinase assay
50014500	2	ChEMBL_2128481 (CHEMBL4837910)	Inhibition of ASK1 in human HEK293 cells transfected with AP1 assessed as inhibition of AP1-induced firefly luciferase activity preincubated for 1 hr followed by PMA stimulation and measured after 6 hrs by luciferase reporter assay
50014504	1	ChEMBL_2128491 (CHEMBL4837920)	Inhibition of wild type HIV1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50014505	1	ChEMBL_2128506 (CHEMBL4837935)	Inhibition of recombinant human LMPTP-A using OMFP or pNPP as substrate by fluorescence assay
50014506	1	ChEMBL_2128544 (CHEMBL4837973)	Inhibition of hypoxia-induced HIF1alpha transcriptional activity in human Hep3B cells co-transfected with luciferase reporter plasmid containing six copies of HREs and pRL-CMV vector assessed as reduction in luciferase activity incubated for 24 hrs under hypoxic condition by HRE-dependent dual luciferase reporter gene assay
50014507	1	ChEMBL_2128577 (CHEMBL4838006)	Inhibition of human CYP3A4 assessed as dissociation constant
50014507	2	ChEMBL_2128578 (CHEMBL4838007)	Inhibition of recombinant human CYP3A4 using BFC as substrate
50014514	1	ChEMBL_2128589 (CHEMBL4838018)	Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ubiquinol as substrate preincubated for 2 mins followed by substrate addition by UV-Vis spectrophotometry
50014515	1	ChEMBL_2128597 (CHEMBL4838026)	Inhibition of human N-terminal GST fusion tagged FGFR1 cytoplasmic domain (398 to 822 residues) expressed in baculovirus infected Sf21 insect cells in presence of ATP at Km concentration
50014515	2	ChEMBL_2128602 (CHEMBL4838031)	Inhibition of human N-terminal GST fusion tagged FGFR2 cytoplasmic domain (399 to 821 end residues) expressed in baculovirus infected Sf21 insect cells
50014515	3	ChEMBL_2128603 (CHEMBL4838032)	Inhibition of human N-terminal GST fusion tagged FGFR3 cytoplasmic domain (436 to 806 end residues) expressed in baculovirus infected Sf21 insect cells
50014515	4	ChEMBL_2128604 (CHEMBL4838033)	Inhibition of human N-terminal GST fusion tagged FGFR3 cytoplasmic domain (460 to 802 end residues) expressed in baculovirus infected Sf21 insect cells
50014515	5	ChEMBL_2128681 (CHEMBL4838110)	Inhibition of human N-terminal GST-fusion tagged VEGFR2 cytoplasmic domain (790 to 1356 end residues) expressed in Sf21 insect cells
50014515	6	ChEMBL_2128682 (CHEMBL4838111)	Inhibition of FGFR1 (unknown origin)
50014515	7	ChEMBL_2128683 (CHEMBL4838112)	Inhibition of FGFR2 (unknown origin)
50014515	8	ChEMBL_2128684 (CHEMBL4838113)	Inhibition of FGFR3 (unknown origin)
50014515	9	ChEMBL_2128685 (CHEMBL4838114)	Inhibition of FGFR4 (unknown origin)
50014515	10	ChEMBL_2128686 (CHEMBL4838115)	Inhibition of recombinant human FGFR1 in presence of ATP at Km concentration
50014515	11	ChEMBL_2128687 (CHEMBL4838116)	Inhibition of recombinant human FGFR2 in presence of ATP at Km concentration
50014515	12	ChEMBL_2128688 (CHEMBL4838117)	Inhibition of recombinant human FGFR3 in presence of ATP at Km concentration
50014515	13	ChEMBL_2128689 (CHEMBL4838118)	Inhibition of recombinant human FGFR4 (442 to 755 residues) using poly(Glu, Tyr) 4:1 as substrate at 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50014516	1	ChEMBL_2128757 (CHEMBL4838186)	Inhibition of AXL (unknown origin) by ELISA
50014516	2	ChEMBL_2128758 (CHEMBL4838187)	Inhibition of c-MET (unknown origin) by ELISA
50014516	3	ChEMBL_2128765 (CHEMBL4838194)	Inhibition of VEGFR1 (unknown origin) by ELISA
50014516	4	ChEMBL_2128766 (CHEMBL4838195)	Inhibition of VEGFR2 (unknown origin) by ELISA
50014516	5	ChEMBL_2128767 (CHEMBL4838196)	Inhibition of PDGFRalpha (unknown origin) by ELISA
50014516	6	ChEMBL_2128768 (CHEMBL4838197)	Inhibition of PDGFRbeta (unknown origin) by ELISA
50014516	7	ChEMBL_2128769 (CHEMBL4838198)	Inhibition of Kit(unknown origin) by ELISA
50014516	8	ChEMBL_2128770 (CHEMBL4838199)	Inhibition of FLT-3 (unknown origin) by ELISA
50014516	9	ChEMBL_2128771 (CHEMBL4838200)	Inhibition of EGFR (unknown origin) by ELISA
50014516	10	ChEMBL_2128772 (CHEMBL4838201)	Inhibition of ERBB2 (unknown origin) by ELISA
50014516	11	ChEMBL_2128773 (CHEMBL4838202)	Inhibition of ERBB4 (unknown origin) by ELISA
50014516	12	ChEMBL_2128774 (CHEMBL4838203)	Inhibition of SRC (unknown origin) by ELISA
50014516	13	ChEMBL_2128776 (CHEMBL4838205)	Inhibition of EPHA2 (unknown origin) by ELISA
50014516	14	ChEMBL_2128777 (CHEMBL4838206)	Inhibition of IGF1R (unknown origin) by ELISA
50014516	15	ChEMBL_2128783 (CHEMBL4838212)	Inhibition of AXL (unknown origin)
50014518	1	ChEMBL_2128787 (CHEMBL4838216)	Inhibition of RdRP activity in Influenza A virus A/PR/8/34(H1N1) infected in HEK293T cells incubated for 24 hrs by minireplicon based dual luciferase assay
50014520	1	ChEMBL_2128841 (CHEMBL4838270)	Inhibition of FtsZ in Escherichia coli assessed as disruption of Z ring formation
50014520	2	ChEMBL_2128842 (CHEMBL4838271)	Inhibition of FtsZ in Bacillus subtilis assessed as disruption of Z ring formation
50014521	1	ChEMBL_2128845 (CHEMBL4838274)	Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for 4 days by neutral red dye based colorimetric analysis
50014522	1	ChEMBL_2129136 (CHEMBL4838565)	Binding affinity to FGF2 (unknown origin) by sensor chip immobilization based surface plasmon resonance analysis
50014523	1	ChEMBL_2129151 (CHEMBL4838580)	Inhibition of mouse GAT1 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysis
50014523	2	ChEMBL_2129156 (CHEMBL4838585)	Inhibition of mouse GAT2 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysis
50014523	3	ChEMBL_2129157 (CHEMBL4838586)	Inhibition of mouse GAT3 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysis
50014523	4	ChEMBL_2129158 (CHEMBL4838587)	Inhibition of mouse GAT4 expressed in human HEK293 cell line assessed as inhibition of [3H]GABA uptake measured after 40 mins by LC-ESI-MS/MS analysis
50014523	5	ChEMBL_2129175 (CHEMBL4838604)	Inhibition of [3H]NO711 binding to mouse GAT1 expressed in human HEK293 cell line by MS binding assay
50014524	1	ChEMBL_2129273 (CHEMBL4838702)	Inhibition of MERTK (unknown origin)
50014524	2	ChEMBL_2129274 (CHEMBL4838703)	Inhibition of AXL (unknown origin)
50014524	3	ChEMBL_2129275 (CHEMBL4838704)	Inhibition of TYRO3 (unknown origin)
50014524	4	ChEMBL_2129276 (CHEMBL4838705)	Inhibition of FLT3 (unknown origin)
50014524	5	ChEMBL_2129280 (CHEMBL4838709)	Inhibition of N-terminal GST-tagged AXL (464 to 885 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	6	ChEMBL_2129291 (CHEMBL4838720)	Inhibition of N-terminal GST-tagged MERTK (528 to 999 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	7	ChEMBL_2129292 (CHEMBL4838721)	Inhibition of N-terminal GST-tagged FLT3 (564 to 993 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	8	ChEMBL_2129293 (CHEMBL4838722)	Inhibition of N-terminal GST-tagged TYRO3 (453 to 890 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	9	ChEMBL_2129294 (CHEMBL4838723)	Inhibition of N-terminal GST-tagged TRKA (436 to 790 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	10	ChEMBL_2129295 (CHEMBL4838724)	Inhibition of N-terminal GST-tagged TRKC (456 to 825 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	11	ChEMBL_2129296 (CHEMBL4838725)	Inhibition of N-terminal GST-tagged HGK (1 to 328 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	12	ChEMBL_2129297 (CHEMBL4838726)	Inhibition of N-terminal GST-tagged TNIK (1 to 314 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	13	ChEMBL_2129298 (CHEMBL4838727)	Inhibition of N-terminal GST-tagged TRKB (456 to 822 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells
50014524	14	ChEMBL_2129299 (CHEMBL4838728)	Inhibition of N-terminal GST-tagged MELK (1 to 493 residues) (unknown origin) expressed in Escherichia coli
50014524	15	ChEMBL_2129300 (CHEMBL4838729)	Inhibition of PDGFRalpha (unknown origin)
50014524	16	ChEMBL_2129301 (CHEMBL4838730)	ATP competitive inhibition of MERTK (unknown origin)
50014524	17	ChEMBL_2129302 (CHEMBL4838731)	ATP competitive inhibition of AXL (unknown origin)
50014524	18	ChEMBL_2129303 (CHEMBL4838732)	ATP competitive inhibition of TYRO3 (unknown origin)
50014524	19	ChEMBL_2129304 (CHEMBL4838733)	ATP competitive inhibition of FLT3 (unknown origin)
50014524	20	ChEMBL_2129308 (CHEMBL4838737)	Inhibition of MERTK in human 697 cells assessed as reduction in phosphorylation of MERTK preincubated for 1 hr followed by vanadate addition and measured after 3 mins by immunoblot analysis
50014524	21	ChEMBL_2129309 (CHEMBL4838738)	Inhibition of FLT3 in human SEM cells assessed as reduction in phosphorylation of MERTK preincubated for 1 hr followed by vanadate addition and measured after 3 mins by immunoblot analysis
50014526	1	ChEMBL_2129408 (CHEMBL4838837)	Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1) Neuraminidase using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometric method
50014526	2	ChEMBL_2129409 (CHEMBL4838838)	Inhibition of Influenza A virus (A/California/04/2009(H1N1)) Neuraminidase using MUNANA as substrate preincubated for 5 to 15 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometric method
50014527	1	ChEMBL_2129499 (CHEMBL4838928)	Inhibition of human proteasome subunit beta-5i chymotrypsin like activity using SUC-ANW-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	2	ChEMBL_2129500 (CHEMBL4838929)	Inhibition of chymotrypsin-like activity of human 20s proteasome beta 5c subunit using suc-WLA-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	3	ChEMBL_2129501 (CHEMBL4838930)	Inhibition of caspase-like activity of human proteasome beta-1c subunit using SUC-LLE-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	4	ChEMBL_2129502 (CHEMBL4838931)	Inhibition of human caspase-like activity of 20s proteasome beta 1i subunit using SUC-PAL-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	5	ChEMBL_2129503 (CHEMBL4838932)	Inhibition of human trypsin-like activity of 20s proteasome beta 2c subunit using SUC-KQL-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	6	ChEMBL_2129504 (CHEMBL4838933)	Inhibition of human trypsin-like activity of 20s proteasome beta 2i subunit using SUC-VGR-AMC as flurogenic substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50014527	7	ChEMBL_2129508 (CHEMBL4838937)	Inhibition of proteasome subunit beta-5i (unknown origin)
50014530	1	ChEMBL_2129519 (CHEMBL4838948)	Inhibition of self-induced aggregation amyloid beta (1 to 40) (unknown origin) incubated for 24 hrs by Thioflavin T based fluorometric assay
50014530	2	ChEMBL_2129520 (CHEMBL4838949)	Inhibition of BACE1 (unknown origin) using Rh-EVNNLDAEFK fluorogenic peptide as substrate incubated for 3 hrs by FRET assay
50014531	1	ChEMBL_2129521 (CHEMBL4838950)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method
50014531	2	ChEMBL_2129522 (CHEMBL4838951)	Inhibition of human serum BuChe using butyrylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method
50014533	1	ChEMBL_2129576 (CHEMBL4839005)	Inhibition of wild type GNAQ (unknown origin) expressed in CRISPR/Cas9 engineered HEK293 cells
50014535	1	ChEMBL_2129577 (CHEMBL4839006)	Inhibition of recombinant FAK (unknown origin) by radiometric kinase assay
50014535	2	ChEMBL_2129591 (CHEMBL4839020)	Inhibition of human ERG by patch-clamp assay
50014535	3	ChEMBL_2129595 (CHEMBL4839024)	Inhibition of DDR1 (unknown origin)
50014535	4	ChEMBL_2129596 (CHEMBL4839025)	Inhibition of JAK3 (unknown origin)
50014535	5	ChEMBL_2129597 (CHEMBL4839026)	Inhibition of TYK2 (unknown origin)
50014535	6	ChEMBL_2129598 (CHEMBL4839027)	Inhibition of FAK (unknown origin)
50014535	7	ChEMBL_2129599 (CHEMBL4839028)	Inhibition of CK2alpha1 (unknown origin)
50014535	8	ChEMBL_2129600 (CHEMBL4839029)	Inhibition of RET (unknown origin)
50014535	9	ChEMBL_2129601 (CHEMBL4839030)	Inhibition of Fes (unknown origin)
50014535	10	ChEMBL_2129602 (CHEMBL4839031)	Inhibition of Lck (unknown origin)
50014535	11	ChEMBL_2129603 (CHEMBL4839032)	Inhibition of JAK1 (unknown origin)
50014535	12	ChEMBL_2129604 (CHEMBL4839033)	Inhibition of Src (unknown origin)
50014535	13	ChEMBL_2129605 (CHEMBL4839034)	Inhibition of ROS (unknown origin)
50014535	14	ChEMBL_2129606 (CHEMBL4839035)	Inhibition of CDK4 (unknown origin)
50014535	15	ChEMBL_2129607 (CHEMBL4839036)	Inhibition of Fyn (unknown origin)
50014535	16	ChEMBL_2129608 (CHEMBL4839037)	Inhibition of EphB1 (unknown origin)
50014536	1	ChEMBL_2129708 (CHEMBL4839137)	Inhibition of human FLT4/VEGFR3
50014536	2	ChEMBL_2129709 (CHEMBL4839138)	Inhibition of human MINK
50014536	3	ChEMBL_2129710 (CHEMBL4839139)	Inhibition of human MELK
50014536	4	ChEMBL_2129711 (CHEMBL4839140)	Inhibition of human BTK
50014536	5	ChEMBL_2129712 (CHEMBL4839141)	Inhibition of human KDR/VEGFR2
50014536	6	ChEMBL_2129713 (CHEMBL4839142)	Inhibition of human FLT1/VEGFR1
50014536	7	ChEMBL_2129793 (CHEMBL4839222)	Inhibition of VEGFR2 (unknown origin)
50014536	8	ChEMBL_2129794 (CHEMBL4839223)	Inhibition of VEGFR3 (unknown origin)
50014536	9	ChEMBL_2129795 (CHEMBL4839224)	Inhibition of B-RAF (unknown origin)
50014536	10	ChEMBL_2129796 (CHEMBL4839225)	Inhibition of PDGFRbeta (unknown origin)
50014536	11	ChEMBL_2129797 (CHEMBL4839226)	Inhibition of c-Kit (unknown origin)
50014536	12	ChEMBL_2129798 (CHEMBL4839227)	Inhibition of PDGFRalpha (unknown origin)
50014536	13	ChEMBL_2129799 (CHEMBL4839228)	Inhibition of FGFR1 (unknown origin)
50014536	14	ChEMBL_2129800 (CHEMBL4839229)	Inhibition of VEGFR1 (unknown origin)
50014536	15	ChEMBL_2129801 (CHEMBL4839230)	Inhibition of FGFR2 (unknown origin)
50014536	16	ChEMBL_2129802 (CHEMBL4839231)	Inhibition of EGFR (unknown origin)
50014538	1	ChEMBL_2129804 (CHEMBL4839233)	Agonist activity at N-terminal HA-tagged human TGR5 expressed in HEK293 cells assessed as reduction in intracellular cAMP levels incubated for 30 mins by Lance Ultra cAMP assay
50014538	2	ChEMBL_2129806 (CHEMBL4839235)	Agonist activity at N-terminal HA-tagged mouse TGR5 expressed in HEK293 cells assessed as reduction in intracellular cAMP levels incubated for 30 mins by Lance Ultra cAMP assay
50014542	1	ChEMBL_2129824 (CHEMBL4839253)	Agonist activity at human BLT2 overexpressed in CHO-K1 cells assessed as accumulation of inositol monophosphate measured after 90 mins by HTRF assay
50014542	2	ChEMBL_2129826 (CHEMBL4839255)	Antagonist activity at human AT1 overexpressed in CHO-K1 cells in presence of 10 nM [Val5-angiotensin II measured after 90 mins by HTRF based IP-one assay
50014546	1	ChEMBL_2129834 (CHEMBL4839263)	Inhibition of human soluble adenylyl cyclase assessed as reduction in cAMP levels in the presence of alpha-32p labeled ATP by biochemical assay
50014546	2	ChEMBL_2129836 (CHEMBL4839265)	Inhibition of human soluble adenylyl cyclase transfected (4-4 clones)in human HEK293 cells assessed as reduction in cAMP levels preincubated for 5 mins with test compounds in the presence of IBMX by ELISA
50014550	1	ChEMBL_2129860 (CHEMBL4839289)	Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding potential by automated Q-patch clamp method
50014554	1	ChEMBL_2129865 (CHEMBL4839294)	Displacement of [3H]NMS from human muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting analysis
50014554	2	ChEMBL_2129866 (CHEMBL4839295)	Displacement of [3H]NMS from rat muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting analysis
50014554	3	ChEMBL_2129867 (CHEMBL4839296)	Displacement of [3H]NMS from human acetyl cholinesterase receptor expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting analysis
50014554	4	ChEMBL_2129868 (CHEMBL4839297)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50014554	5	ChEMBL_2129874 (CHEMBL4839303)	Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization
50014554	6	ChEMBL_2129875 (CHEMBL4839304)	Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization relative to control
50014554	7	ChEMBL_2129905 (CHEMBL4839334)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50014554	8	ChEMBL_2129906 (CHEMBL4839335)	Antagonist activity at human muscarinic M3 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50014554	9	ChEMBL_2129916 (CHEMBL4839345)	Time dependent inhibition of CYP2C9 (unknown origin)
50014554	10	ChEMBL_2129917 (CHEMBL4839346)	Time dependent inhibition of CYP2C19 (unknown origin)
50014554	11	ChEMBL_2129918 (CHEMBL4839347)	Time dependent inhibition of CYP2D6 (unknown origin)
50014554	12	ChEMBL_2129919 (CHEMBL4839348)	Induction of CYP1A2 in human hepatocytes
50014554	13	ChEMBL_2129920 (CHEMBL4839349)	Induction of CYP2B6 in human hepatocytes
50014554	14	ChEMBL_2129921 (CHEMBL4839350)	Induction of CYP3A4 in human hepatocytes
50014554	15	ChEMBL_2129930 (CHEMBL4839359)	Inhibition of human sigma1 receptor by radioligand binding assay
50014554	16	ChEMBL_2129931 (CHEMBL4839360)	Inhibition of human ERG by patch clamp assay
50014554	17	ChEMBL_2129933 (CHEMBL4839362)	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of acetylcholine-induced calcium mobilization
50014555	1	ChEMBL_2129934 (CHEMBL4839363)	Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay
50014555	2	ChEMBL_2129935 (CHEMBL4839364)	Displacement of 5-TAMRA-labelled Tracer A from human GST-fused/FLAG-tagged full length ATR/human N-terminal FLAG-tagged full length ATRIP expressed in HEK293-6E cells preincubated for 15 mins followed by tracer A addition and measured after 30 mins by TR-FRET based competition binding assay
50014555	3	ChEMBL_2129936 (CHEMBL4839365)	Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6E cells using biotin-PEG2-SVEPPLSQETFSD as substrate preincubated for 15 mins followed by substrate addition and measured after 90 mins in presence of ATP by TR-FRET assay
50014555	4	ChEMBL_2129937 (CHEMBL4839366)	Inhibition of mTOR (unknown origin) using biotin-Ahx-PPGDYSTTPGGTLFSTTPGGTRI-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay
50014555	5	ChEMBL_2129938 (CHEMBL4839367)	Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50014555	6	ChEMBL_2129940 (CHEMBL4839369)	Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay
50014555	7	ChEMBL_2129942 (CHEMBL4839371)	Inhibition of ATR in human HT29 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay
50014555	8	ChEMBL_2129962 (CHEMBL4839391)	Inhibition of recombinant human ERG expressed in HEK293 cells by automated voltage clamp method
50014555	9	ChEMBL_2129963 (CHEMBL4839392)	Binding affinity to ATR (unknown origin)
50014555	10	ChEMBL_2129971 (CHEMBL4839400)	Competitive inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50014556	1	ChEMBL_2129992 (CHEMBL4839421)	Inhibition of human MKNK1 by Kinomescan method relative to control
50014556	2	ChEMBL_2129993 (CHEMBL4839422)	Inhibition of wild-type human partial length SLK (S14 to A307 residues) expressed in bacterial expression system by Kinomescan method relative to control
50014556	3	ChEMBL_2129994 (CHEMBL4839423)	Inhibition of wild-type human partial length CLK2 (D144 to R498 residues) expressed in bacterial expression system by Kinomescan method relative to control
50014556	4	ChEMBL_2129995 (CHEMBL4839424)	Inhibition of wild-type human full length GSK3A (M1 to S483 residues) expressed in bacterial expression system by Kinomescan method relative to control
50014556	5	ChEMBL_2129996 (CHEMBL4839425)	Inhibition of human PDPK1 by KINOMEscan assay relative to control
50014556	6	ChEMBL_2129997 (CHEMBL4839426)	Binding affinity human SLK by binding displacement assay
50014556	7	ChEMBL_2129998 (CHEMBL4839427)	Binding affinity human STK10 by binding displacement assay
50014556	8	ChEMBL_2130000 (CHEMBL4839429)	Inhibition of SLK (unknown origin) assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method
50014556	9	ChEMBL_2130001 (CHEMBL4839430)	Inhibition of STK10 (unknown origin) expressed in Sf9 cells assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method
50014556	10	ChEMBL_2130002 (CHEMBL4839431)	Inhibition of CLK2 (unknown origin) assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method
50014556	11	ChEMBL_2130003 (CHEMBL4839432)	Inhibition of GSK3alpha (unknown origin) assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method
50014556	12	ChEMBL_2130004 (CHEMBL4839433)	Inhibition of GSK3beta (unknown origin) assessed as transfer of radiolabelled phosphate group from ATP by reaction biology method
50014556	13	ChEMBL_2130016 (CHEMBL4839445)	Inhibition of NanoLuc-fused JAK3 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	14	ChEMBL_2130017 (CHEMBL4839446)	Inhibition of NanoLuc-fused SLK (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	15	ChEMBL_2130018 (CHEMBL4839447)	Inhibition of NanoLuc-fused DCAMKL3 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	16	ChEMBL_2130019 (CHEMBL4839448)	Inhibition of NanoLuc-fused GSK3A (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	17	ChEMBL_2130020 (CHEMBL4839449)	Inhibition of NanoLuc-fused TLK2 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	18	ChEMBL_2130021 (CHEMBL4839450)	Inhibition of NanoLuc-fused TLK1 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	19	ChEMBL_2130022 (CHEMBL4839451)	Inhibition of NanoLuc-fused YSK1 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	20	ChEMBL_2130023 (CHEMBL4839452)	Inhibition of NanoLuc-fused STK3 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	21	ChEMBL_2130024 (CHEMBL4839453)	Inhibition of NanoLuc-fused CLK4 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	22	ChEMBL_2130027 (CHEMBL4839456)	Inhibition of biotinylated full-length STK10 expressed in Escherichia coli DH10Bac assessed as transfer of radiolabelled phosphate from ATP by OMNIA enzymatic assay
50014556	23	ChEMBL_2130031 (CHEMBL4839460)	Inhibition of NanoLuc-fused ICK (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014556	24	ChEMBL_2130033 (CHEMBL4839462)	Inhibition of NanoLuc-fused CDK7 (unknown origin) expressed in HEK293T cells after 2 hrs by NanoBRET assay
50014558	1	ChEMBL_2130034 (CHEMBL4839463)	Inhibition of recombinant human NAAA expressed in HEK293 cells using PAMCA as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 50 mins by fluorescence assay
50014560	1	ChEMBL_2130059 (CHEMBL4839488)	Inhibition of human full length recombinant LCK by radiometric scintillation counting analysis
50014560	2	ChEMBL_2130060 (CHEMBL4839489)	Inhibition of human full length recombinant Fyn by radiometric scintillation counting analysis
50014560	3	ChEMBL_2130061 (CHEMBL4839490)	Inhibition of human recombinant HCK (230 to 497) by radiometric scintillation counting analysis
50014560	4	ChEMBL_2130065 (CHEMBL4839494)	Inhibition of human recombinant CSF1R using ATP/Ulight-TK peptide incubated for 15 mins
50014560	5	ChEMBL_2130168 (CHEMBL4839597)	Inhibition of human full length recombinant BLK by radiometric scintillation counting analysis
50014560	6	ChEMBL_2130169 (CHEMBL4839598)	Inhibition of human recombinant FGR (456 to 770) radiometric scintillation counting analysis
50014560	7	ChEMBL_2130170 (CHEMBL4839599)	Inhibition of human full length recombinant LYN by radiometric scintillation counting analysis
50014560	8	ChEMBL_2130171 (CHEMBL4839600)	Inhibition of human recombinant Src (1-530) by radiometric scintillation counting analysis
50014560	9	ChEMBL_2130172 (CHEMBL4839601)	Inhibition of human full length recombinant Yes by radiometric scintillation counting analysis
50014560	10	ChEMBL_2130173 (CHEMBL4839602)	Inhibition of human full length recombinant Bmx by radiometric scintillation counting analysis
50014560	11	ChEMBL_2130174 (CHEMBL4839603)	Inhibition of human recombinant Txk (256 to end) by radiometric scintillation counting analysis
50014560	12	ChEMBL_2130175 (CHEMBL4839604)	Inhibition of human recombinant ABL1 using ATP/Ulight-TK peptide incubated for 15 mins
50014560	13	ChEMBL_2130176 (CHEMBL4839605)	Inhibition of human full length recombinant CSK by radiometric scintillation counting analysis
50014560	14	ChEMBL_2130177 (CHEMBL4839606)	Inhibition of human recombinant CSF1R using ATP/Ulight-TK peptide at 50 nM incubated for 15 mins
50014560	15	ChEMBL_2130178 (CHEMBL4839607)	Inhibition of human SRMS by radiometric scintillation counting analysis
50014564	1	ChEMBL_2130185 (CHEMBL4839614)	Agonist activity at human His-tagged RORgamma-LBD expressed in Sf9 cells assessed as inhibition of N-terminal biotinylated co-activator SRC1 recruitment in presence of ursolic acid measured after 60 mins by FRET assay
50014564	2	ChEMBL_2130186 (CHEMBL4839615)	Agonist activity at RORgamma in human whole blood assessed as increase in IL-17A production
50014564	3	ChEMBL_2130192 (CHEMBL4839621)	Agonist activity at human ROR-gamma LBD expressed in HEK293 cells assessed as transcriptional activity in presence of ursolic acid by Gal4-luciferase reporter assay
50014564	4	ChEMBL_2130193 (CHEMBL4839622)	Agonist activity at human PXR-gamma expressed in HEK293 cells assessed as transcriptional activity in presence of ursolic acid by Gal4-luciferase reporter assay
50014564	5	ChEMBL_2130215 (CHEMBL4839644)	Agonist activity at RORalpha (unknown origin)
50014564	6	ChEMBL_2130216 (CHEMBL4839645)	Agonist activity at RORbeta (unknown origin)
50014565	1	ChEMBL_2130242 (CHEMBL4839671)	Inhibition of human 5-LOX
50014565	2	ChEMBL_2130243 (CHEMBL4839672)	Inhibition of human reticulocyte 15-LOX-1
50014565	3	ChEMBL_2130246 (CHEMBL4839675)	Inhibition of wild type human N-terminal His-tagged 12-LOX using arachidonic acid as substrate by UV-Vis spectroscopy analysis
50014565	4	ChEMBL_2130247 (CHEMBL4839676)	Inhibition of human epithelial cell 15-LOX-2
50014566	1	ChEMBL_2130269 (CHEMBL4839698)	Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarginine as a substrate preincubated for 30 mins followed by substrate addition and incubated for 60 mins by fluorescence based arginine thio ornithine generating assay
50014567	1	ChEMBL_2130287 (CHEMBL4839716)	Binding affinity to Sigma 2-receptor (unknown origin)
50014567	2	ChEMBL_2130289 (CHEMBL4839718)	Inhibition of human ERG expressed in CHO cells measured by Patch-clamp assay
50014568	1	ChEMBL_2130313 (CHEMBL4839742)	Antagonist activity at mouse CaSR
50014568	2	ChEMBL_2130315 (CHEMBL4839744)	Activation of full length human PXR expressed in human HepG2 cells co-expressing luciferase of CYP3A4 promoter transcription assessed as increase of luciferase activity preincubated for 24 hrs followed by addition of luciferase substrate and measured by hPXR Gene reporter assay
50014568	3	ChEMBL_2130328 (CHEMBL4839757)	Antagonist activity at human CaSR in human HEK293 cells measured after 5 mins by FLIPR assay
50014571	1	ChEMBL_2130375 (CHEMBL4839804)	Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight by ELISA
50014571	2	ChEMBL_2130426 (CHEMBL4839855)	Inhibition of CYP2C8 (unknown origin)
50014571	3	ChEMBL_2130427 (CHEMBL4839856)	Inhibition of CYP2C19 (unknown origin)
50014571	4	ChEMBL_2130428 (CHEMBL4839857)	Inhibition of CYP2D6 (unknown origin)
50014571	5	ChEMBL_2130432 (CHEMBL4839861)	Inhibition of gamma secretase (unknown origin) assessed as reduction in notch cleavage
50014571	6	ChEMBL_2130441 (CHEMBL4839870)	Inhibition of human ERG
50014575	1	ChEMBL_2130503 (CHEMBL4839932)	Inhibition of recombinant Escherichia coli LpxA using UDP-GlcNAc as substrate incubated for 30 mins by spectrophotometric method
50014577	1	ChEMBL_2130517 (CHEMBL4839946)	Activation of recombinant human SIRT3 assessed as lysyl deacetylase activity using (Gln-Pro-Lys-Lys(Ac)) peptide substrate by fluorescent assay
50014578	1	ChEMBL_2130588 (CHEMBL4840017)	Inhibition of human ERG
50014578	2	ChEMBL_2130602 (CHEMBL4840031)	Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophenol blue staining based TAE gel method
50014578	3	ChEMBL_2130603 (CHEMBL4840032)	Inhibition of Staphylococcus aureus topoisomerase IV decatenation activity using kDNA as substrate by ethidium bromide/bromophenol blue staining based agarose gel electrophoresis analysis
50014578	4	ChEMBL_2130658 (CHEMBL4840087)	Inhibition of CYP2D6 (unknown origin)
50014578	5	ChEMBL_2130659 (CHEMBL4840088)	Inhibition of CYP2C19 (unknown origin)
50014578	6	ChEMBL_2130660 (CHEMBL4840089)	Inhibition of CYP2C9 (unknown origin)
50014578	7	ChEMBL_2130661 (CHEMBL4840090)	Inhibition of CYP2C8 (unknown origin)
50014578	8	ChEMBL_2130662 (CHEMBL4840091)	Inhibition of CYP2B6 (unknown origin)
50014578	9	ChEMBL_2130663 (CHEMBL4840092)	Inhibition of CYP1A2 (unknown origin)
50014580	1	ChEMBL_2130664 (CHEMBL4840093)	Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity by hybrid reporter gene assay
50014580	2	ChEMBL_2130666 (CHEMBL4840095)	Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity by hybrid reporter gene assay
50014580	3	ChEMBL_2130668 (CHEMBL4840097)	Inverse agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity in presence of AQ by hybrid reporter gene assay
50014580	4	ChEMBL_2130669 (CHEMBL4840098)	Agonist activity at Gal4-fused human Nurr1 LBD expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity in presence of 5-(Pyridin-3-yl)-1-methylindole-3-carboxylic Acid Methyl Ester by hybrid reporter gene assay
50014580	5	ChEMBL_2130670 (CHEMBL4840099)	Inverse agonist activity at human Nurr1 LBD assessed as displacement of NCoR1 from Nurr1 after 2 hrs by HTRF assay
50014580	6	ChEMBL_2130671 (CHEMBL4840100)	Inverse agonist activity at human Nurr1 LBD assessed as displacement of NCoR2 from Nurr1 after 2 hrs by HTRF assay
50014580	7	ChEMBL_2130677 (CHEMBL4840106)	Inverse agonist activity at Gal4-fused human Nurr1 monomer response element NBRE expressed in HEK293T cells co-expressing firefly luciferase assessed as luciferase activity by hybrid reporter gene assay
50014582	1	ChEMBL_2130688 (CHEMBL4840117)	Inhibition of JNK3alpha1 (unknown origin) using biotinylated FL-ATF-2 as substrate measured after 22 mins by homogeneous time-resolved fluorescence analysis
50014582	2	ChEMBL_2130689 (CHEMBL4840118)	Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate measured after 22 mins by homogeneous time-resolved fluorescence analysis
50014582	3	ChEMBL_2130690 (CHEMBL4840119)	Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate measured after 22 mins by homogeneous time-resolved fluorescence analysis
50014582	4	ChEMBL_2130691 (CHEMBL4840120)	Inhibition of p38 alpha (unknown origin) using biotinylated FL-ATF-2 as substrate measured after 22 mins by homogeneous time-resolved fluorescence analysis
50014582	5	ChEMBL_2130695 (CHEMBL4840124)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated Qpatch electrophysiological method
50014582	6	ChEMBL_2130700 (CHEMBL4840129)	Inhibition of CYP2C9 (unknown origin) by titration method
50014582	7	ChEMBL_2130701 (CHEMBL4840130)	Inhibition of CYP3A4 (unknown origin) by titration method
50014582	8	ChEMBL_2130712 (CHEMBL4840141)	Inhibition of human CK1E using KRRRAL[pS]VASLPGL as substrate by [gamma-33P]-ATP assay
50014582	9	ChEMBL_2130713 (CHEMBL4840142)	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay
50014582	10	ChEMBL_2130714 (CHEMBL4840143)	Inhibition of human p38alpha using MBP as substrate by [gamma-33P]-ATP assay
50014583	1	ChEMBL_2130725 (CHEMBL4840154)	Inhibition of human recombinant full length N-terminal GST tagged MEK4 expressed in Sf21 cells using p38 alpha as substrate pre-incubated for 30 mins followed by addition of ATP and measured after 150 mins by ADP-Glo kinase assay
50014583	2	ChEMBL_2130726 (CHEMBL4840155)	Inhibition of human recombinant full length N-terminal GST tagged MEK7 expressed in Sf21 cells using JNK1 as substrate pre-incubated for 30 mins followed by addition of ATP and measured after 150 mins by ADP-Glo kinase assay
50014585	1	ChEMBL_2130771 (CHEMBL4840200)	Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reduction in IL-1 beta induced inflammation by luciferase reporter gene assay
50014585	2	ChEMBL_2130775 (CHEMBL4840204)	Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induction of receptor transactivation by luciferase reporter gene assay
50014587	1	ChEMBL_2130780 (CHEMBL4840209)	Inhibition of electric eel AChE using acetylcholine iodide as a substrate measured for 125 secs by DNTB reagent based Ellman's method
50014587	2	ChEMBL_2130781 (CHEMBL4840210)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as a substrate measured for 125 secs by DNTB reagent based Ellman's method
50014587	3	ChEMBL_2130782 (CHEMBL4840211)	Inhibition of electric eel AChE using acetylcholine iodide as a substrate by Cornish-Bowden plot analysis
50014587	4	ChEMBL_2130783 (CHEMBL4840212)	Mixed type inhibition of equine serum BuChE using S-butyrylthiocholine iodide as a substrate by Cornish-Bowden plot analysis
50014592	1	ChEMBL_2130817 (CHEMBL4840246)	Displacement of [125I]Apelin13 from mouse APJ receptor expressed in HEK293T cells incubated for 1 hr by gamma counter method
50014592	2	ChEMBL_2130818 (CHEMBL4840247)	Agonist activity at human APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production incubated for 30 mins by HTRF assay
50014592	3	ChEMBL_2130819 (CHEMBL4840248)	Agonist activity at rat APJ receptor expressed in HEK293T cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production incubated for 30 mins by HTRF assay
50014593	1	ChEMBL_2130894 (CHEMBL4840409)	Binding affinity to recombinant human caspase-1 assessed as dissociation constant measured after 90 sec by SPR method
50014593	2	ChEMBL_2130896 (CHEMBL4840411)	Binding affinity to recombinant human caspase-1 assessed as dissociation constant at equilibrium measured after 30 sec by SPR method
50014594	1	ChEMBL_2130897 (CHEMBL4840412)	Inhibition of carboxypeptidase B in porcine pancreas using hippuryl-L-Arg as substrate preincubated with substrate for 2 mins followed by enzyme addition and measured after 5 mins by colorimetric method
50014595	1	ChEMBL_2130949 (CHEMBL4840464)	Inhibition of N-terminal GST-tagged human TRKA (436 to 790 residues) expressed in baculovirus infected Sf21 cells using TK as substrate in presence of ATP measured after 30 mins by HTRF assay
50014595	2	ChEMBL_2130950 (CHEMBL4840465)	Inhibition of N-terminal GST-tagged human TRKB (456 to 822 residues) expressed in baculovirus infected Sf21 cells using TK as substrate in presence of ATP measured after 40 mins by HTRF assay
50014595	3	ChEMBL_2130951 (CHEMBL4840466)	Inhibition of N-terminal GST-tagged human TRKC (456 to 825 residues) expressed in Sf21 using TK as substrate in presence of ATP measured after 40 mins by HTRF assay
50014596	1	ChEMBL_2131058 (CHEMBL4840573)	Inhibition of C-terminal 6His-tagged human PDE4D catalytic domain (244 to 578 residues) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as reduction in 5'-AMP formation using cAMP as substrate by NADPH-coupled assay
50014596	2	ChEMBL_2131059 (CHEMBL4840574)	Inhibition of C-terminal 6His-tagged human PDE4D3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in 5'-AMP formation using cAMP as substrate by NADPH-coupled assay
50014597	1	ChEMBL_2131061 (CHEMBL4840576)	Inhibition of c-MET kinase (unknown origin) using poly(Glu:Tyr)(4:1) as substrate by ELISA
50014597	2	ChEMBL_2131073 (CHEMBL4840588)	Inhibition of human ERG
50014598	1	ChEMBL_2131101 (CHEMBL4840616)	Inhibition of serotonin transporter expressed in rat brain tissue assessed as inhibition of [3H]-5-hydroxytryptamine reuptake measured after 15 mins by scintillation counting analysis
50014598	2	ChEMBL_2131116 (CHEMBL4840631)	Inhibition of 5-HT1a (unknown origin)
50014598	3	ChEMBL_2131117 (CHEMBL4840632)	Inhibition of 5-HT2a (unknown origin)
50014598	4	ChEMBL_2131118 (CHEMBL4840633)	Inhibition of 5-HT2c (unknown origin)
50014598	5	ChEMBL_2131119 (CHEMBL4840634)	Inhibition of 5-HT3 (unknown origin)
50014600	1	ChEMBL_2131144 (CHEMBL4840659)	Competitive inhibition of N-terminal His-tagged human OGA using pNP-GlcNAc as chromogenic substrate assessed as inhibition constant by measuring liberation of nitrophenol preincubated with enzyme followed by substrate addition by Dixon plot analysis
50014600	2	ChEMBL_2131145 (CHEMBL4840660)	Competitive inhibition of N-terminal His-tagged human OGA using 4-Mu-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nitrophenol preincubated with enzyme followed by substrate addition by Cornish-Bowden method
50014600	3	ChEMBL_2131146 (CHEMBL4840661)	Competitive inhibition of cow HexA/HexB (unknown origin) using pNP-GlcNAc as substrate assessed as inhibition constant by measuring liberation of nitrophenol preincubated with enzyme followed by substrate addition by Dixon plot analysis
50014600	4	ChEMBL_2131147 (CHEMBL4840662)	Inhibition of HexA/HexB (unknown origin)
50014600	5	ChEMBL_2131148 (CHEMBL4840663)	Inhibition of OGA (unknown origin) using pNP-O-GlcNAc as substrate assessed as inhibition constant incubated for 30 mins
50014601	1	ChEMBL_2131160 (CHEMBL4840675)	Binding affinity to p38 alpha MAPK (unknown origin) assessed as dissociation constant by surface plasmon resonance imaging
50014601	2	ChEMBL_2131161 (CHEMBL4840676)	Binding affinity to p38 alpha MAPK (unknown origin) assessed as steady state affinity by surface plasmon resonance imaging
50014602	1	ChEMBL_2131202 (CHEMBL4840717)	Inhibition of human recombinant sEH using PHOME as substrate measured after 10 mins by fluorescent based assay
50014602	2	ChEMBL_2131203 (CHEMBL4840718)	Inhibition of mouse recombinant sEH using PHOME as substrate measured after 10 mins by fluorescent based assay
50014604	1	ChEMBL_2131243 (CHEMBL4840758)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP measured after 60 mins by ADP-Glo assay
50014604	2	ChEMBL_2131244 (CHEMBL4840759)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 60 mins by ADP-Glo assay
50014604	3	ChEMBL_2131246 (CHEMBL4840761)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP measured after 60 mins by ADP-Glo assay
50014604	4	ChEMBL_2131247 (CHEMBL4840762)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP measured after 60 mins by ADP-Glo assay
50014606	1	ChEMBL_2131302 (CHEMBL4840817)	Inhibition of recombinant ctHtrA serine protease using MeOCoum-ENLHLPLPI1F-D as substrate pretreated for 10 min followed by substrate addition and measured after 30 minutes
50014606	2	ChEMBL_2131303 (CHEMBL4840818)	Inhibition of human neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-pNA as substrate incubated for 15 min
50014607	1	ChEMBL_2131317 (CHEMBL4840832)	Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis
50014607	2	ChEMBL_2131318 (CHEMBL4840833)	Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells measured for 1.5 hrs by liquid scintillation counting analysis
50014607	3	ChEMBL_2131319 (CHEMBL4840834)	Partial agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay
50014607	4	ChEMBL_2131320 (CHEMBL4840835)	Partial agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay
50014607	5	ChEMBL_2131321 (CHEMBL4840836)	Inhibition of FAAH (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by liquid scintillation spectroscopy
50014607	6	ChEMBL_2131322 (CHEMBL4840837)	Inhibition of MAGL (unknown origin) in human U-937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by liquid scintillation spectroscopy
50014607	7	ChEMBL_2131323 (CHEMBL4840838)	Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy
50014607	8	ChEMBL_2131324 (CHEMBL4840839)	Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by liquid scintillation spectroscopy
50014607	9	ChEMBL_2131329 (CHEMBL4840844)	Agonist activity at human CB1 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay
50014607	10	ChEMBL_2131330 (CHEMBL4840845)	Agonist activity at human CB2 receptor transfected in CHO cells incubated for 90 mins by scintillation counting based [35S]GTP-gamma-S-binding assay
50014608	1	ChEMBL_2131333 (CHEMBL4840848)	Inhibition of mPGES-1 obtained from IL-beta stimulated human A549 cells microsomes assessed as residual activity by measuring conversion of PGH2 to PGE2 by cell-free RP-HPLC method
50014608	2	ChEMBL_2131342 (CHEMBL4840857)	Inhibition of 5-LO in A23187/AA-stimulated human intact neutrophils assessed as reduction in LTB4/5-HETE formation measured after 20 mins by RP-HPLC method
50014609	1	ChEMBL_2131421 (CHEMBL4840936)	Inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinylated human BCL9 (350 to 375 residues) protein-protein interaction incubated for 1 hr by Alphascreen assay
50014609	2	ChEMBL_2131422 (CHEMBL4840937)	Competitive inhibition of C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-interaction with N-terminal biotinylated immobilized human BCL9 (350 to 375 residues) by SPR assay
50014609	3	ChEMBL_2131423 (CHEMBL4840938)	Competitive binding affinity to C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)- N-terminal biotinylated human BCL9 (350 to 375 residues) assessed as apparent dissociation constant incubated for 2 hrs by AlphaScreen assay
50014609	4	ChEMBL_2131424 (CHEMBL4840939)	Inhibition of C-terminal 6-His-tagged beta-catenin R1C domain (138 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinylated human BCL9 (350 to 375 residues) protein-protein interaction incubated for 1 hr by Alphascreen assay
50014609	5	ChEMBL_2131492 (CHEMBL4841007)	Inhibition of beta-catenin (unknown origin) transfected in HEK293 cells cotransfected with pCMV-RL assessed as reduction in luciferase activity measured after 24 hrs by TOPFlash luciferase reporter assay
50014610	1	ChEMBL_2131563 (CHEMBL4841078)	Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting method
50014610	2	ChEMBL_2131564 (CHEMBL4841079)	Displacement of [3H]DPDPE from rat delta opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting method
50014610	3	ChEMBL_2131565 (CHEMBL4841080)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membrane measured after 30 mins by liquid scintillation counting method
50014610	4	ChEMBL_2131568 (CHEMBL4841083)	Agonist activity at rat mu opioid receptor expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50014610	5	ChEMBL_2131569 (CHEMBL4841084)	Agonist activity at rat delta opioid receptor expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50014610	6	ChEMBL_2131571 (CHEMBL4841086)	Agonist activity at human kappa opioid receptor expressed in CHO cell membrane incubated for 1 hr by [35S]GTPgammaS binding based liquid scintillation counting method
50014611	1	ChEMBL_2131598 (CHEMBL4841113)	Inhibition of human recombinant DPP9 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by fluorescence based microplate reader assay
50014611	2	ChEMBL_2131600 (CHEMBL4841115)	Inhibition of human recombinant DPP8 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by fluorescence based microplate reader assay
50014611	3	ChEMBL_2131601 (CHEMBL4841116)	Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by fluorescence based microplate reader assay
50014612	1	ChEMBL_2131659 (CHEMBL4841174)	Inhibition of sEH (unknown origin) expressed in baculovirus expression system incubated for 1 hr
50014613	1	ChEMBL_2131663 (CHEMBL4841178)	Inhibition of electric eel AChE using acetylthiocholine chloride as a substrate incubated for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50014614	1	ChEMBL_2131671 (CHEMBL4841186)	Inhibition of HDAC in human HeLa nuclear extract using Fluor de Lys as substrate incubated for 20 mins by fluorometric assay
50014617	1	ChEMBL_2131733 (CHEMBL4841248)	Inhibition of CDK1 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method
50014617	2	ChEMBL_2131734 (CHEMBL4841249)	Inhibition of CDK2 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method
50014617	3	ChEMBL_2131735 (CHEMBL4841250)	Inhibition of CDK4 (unknown origin) expressed in Sf9 insect cells incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method
50014617	4	ChEMBL_2131736 (CHEMBL4841251)	Inhibition of CDK5 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method
50014617	5	ChEMBL_2131737 (CHEMBL4841252)	Inhibition of CDK9 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method
50014617	6	ChEMBL_2131738 (CHEMBL4841253)	Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of ATP by FRET based LANCE assay
50014617	7	ChEMBL_2131740 (CHEMBL4841255)	Inhibition of CDK2 (unknown origin)
50014617	8	ChEMBL_2131741 (CHEMBL4841256)	Inhibition of CDK4 (unknown origin)
50014617	9	ChEMBL_2131742 (CHEMBL4841257)	Inhibition of CDK6 (unknown origin)
50014617	10	ChEMBL_2131743 (CHEMBL4841258)	Inhibition of CDK7 (unknown origin)
50014617	11	ChEMBL_2131747 (CHEMBL4841262)	Inhibition of AXL (unknown origin)
50014617	12	ChEMBL_2131748 (CHEMBL4841263)	Inhibition of Met (unknown origin)
50014617	13	ChEMBL_2131749 (CHEMBL4841264)	Inhibition of ALK (unknown origin)
50014617	14	ChEMBL_2131750 (CHEMBL4841265)	Inhibition of TYRO3 (unknown origin)
50014617	15	ChEMBL_2131751 (CHEMBL4841266)	Inhibition of RET (unknown origin)
50014617	16	ChEMBL_2131752 (CHEMBL4841267)	Inhibition of DDR2 (unknown origin)
50014617	17	ChEMBL_2131753 (CHEMBL4841268)	Inhibition of FGFR1 (unknown origin)
50014617	18	ChEMBL_2131754 (CHEMBL4841269)	Inhibition of FGFR2 (unknown origin)
50014617	19	ChEMBL_2131755 (CHEMBL4841270)	Inhibition of FGFR3 (unknown origin)
50014617	20	ChEMBL_2131756 (CHEMBL4841271)	Inhibition of FGFR4 (unknown origin)
50014617	21	ChEMBL_2131757 (CHEMBL4841272)	Inhibition of VEGFR1 (unknown origin)
50014617	22	ChEMBL_2131758 (CHEMBL4841273)	Inhibition of PDGFRA (unknown origin)
50014617	23	ChEMBL_2131759 (CHEMBL4841274)	Inhibition of PDGFRB (unknown origin)
50014617	24	ChEMBL_2131760 (CHEMBL4841275)	Inhibition of EGFR (unknown origin)
50014617	25	ChEMBL_2131761 (CHEMBL4841276)	Inhibition of ErbB2 (unknown origin)
50014617	26	ChEMBL_2131762 (CHEMBL4841277)	Inhibition of ErbB4 (unknown origin)
50014617	27	ChEMBL_2131763 (CHEMBL4841278)	Inhibition of SRC (unknown origin)
50014617	28	ChEMBL_2131764 (CHEMBL4841279)	Inhibition of ABL (unknown origin)
50014617	29	ChEMBL_2131765 (CHEMBL4841280)	Inhibition of EPHA2 (unknown origin)
50014617	30	ChEMBL_2131766 (CHEMBL4841281)	Inhibition of IGF1R (unknown origin)
50014617	31	ChEMBL_2131767 (CHEMBL4841282)	Inhibition of IR (unknown origin)
50014617	32	ChEMBL_2131768 (CHEMBL4841283)	Inhibition of KDR (unknown origin)
50014617	33	ChEMBL_2131769 (CHEMBL4841284)	Inhibition of BTK (unknown origin)
50014617	34	ChEMBL_2131770 (CHEMBL4841285)	Inhibition of CHK1 (unknown origin)
50014617	35	ChEMBL_2131771 (CHEMBL4841286)	Inhibition of CHK2 (unknown origin)
50014617	36	ChEMBL_2131772 (CHEMBL4841287)	Inhibition of WEE1 (unknown origin)
50014617	37	ChEMBL_2131773 (CHEMBL4841288)	Inhibition of PAK1 (unknown origin)
50014617	38	ChEMBL_2131774 (CHEMBL4841289)	Inhibition of AURKA (unknown origin)
50014617	39	ChEMBL_2131775 (CHEMBL4841290)	Inhibition of DRAK2 (unknown origin)
50014619	1	ChEMBL_2131819 (CHEMBL4841334)	Inhibition of N-terminal HA-tagged rat RSK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate in presence of [gamma-32P]ATP
50014619	2	ChEMBL_2131820 (CHEMBL4841335)	Inhibition of His6-tagged human RSK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate in presence of [gamma-32P]ATP
50014619	3	ChEMBL_2131821 (CHEMBL4841336)	Inhibition of RSK3 (unknown origin)
50014619	4	ChEMBL_2131822 (CHEMBL4841337)	Inhibition of RSK4 (unknown origin)
50014619	5	ChEMBL_2131823 (CHEMBL4841338)	Inhibition of full length recombinant His-tagged human RSK1 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as substrate in presence of ATP
50014619	6	ChEMBL_2131824 (CHEMBL4841339)	Inhibition of full length recombinant His-tagged human RSK2 expressed in baculovirus expression system using biotin-labelled AGAGRSRHSSYPAGT-OH as substrate in presence of ATP
50014619	7	ChEMBL_2131825 (CHEMBL4841340)	Inhibition of full length recombinant GST-tagged human RSK3 expressed in insect cell using biotin-labelled AGAGRSRHSSYPAGT-OH as substrate in presence of ATP
50014619	8	ChEMBL_2131826 (CHEMBL4841341)	Inhibition of RSK2 (unknown origin)
50014619	9	ChEMBL_2131827 (CHEMBL4841342)	Inhibition of RSK4 (unknown origin) incubated for 40 mins in presence of ATP and lipid substrate by Kinase-Glo plus luminescence assay
50014620	1	ChEMBL_2131975 (CHEMBL4841490)	Inhibition of PTP1B (unknown origin) assessed as inhibition constant using pNPP as substrate by spectrophotometric analysis
50014622	1	ChEMBL_2131986 (CHEMBL4841501)	Inhibition of Dengue virus 2 NS2B-NS3 protease using Abz-Nle-Lys-Arg-Arg-Ser-Tyr(3-NO2)-NH2 as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured for 15 mins by FRET assay relative to control
50014624	1	ChEMBL_2131990 (CHEMBL4841505)	Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide as substrate incubated for 1.5 hrs
50014624	2	ChEMBL_2131991 (CHEMBL4841506)	Displacement of K5 tracer from Axl (unknown origin) expressed in human HEK293 cells cotransfected with NanoLuc measured after 2 hrs by NanoBRET assay
50014625	1	ChEMBL_2132047 (CHEMBL4841562)	Agonist activity at human SSTR2 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by GloSensor cAMP Assay
50014625	2	ChEMBL_2132048 (CHEMBL4841563)	Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assay
50014625	3	ChEMBL_2132067 (CHEMBL4841582)	Agonist activity at human SSTR2
50014626	1	ChEMBL_2132129 (CHEMBL4841644)	Inhibition of CYP3A4T in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50014626	2	ChEMBL_2132130 (CHEMBL4841645)	Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50014626	3	ChEMBL_2132131 (CHEMBL4841646)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50014626	4	ChEMBL_2132132 (CHEMBL4841647)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50014626	5	ChEMBL_2132133 (CHEMBL4841648)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50014626	6	ChEMBL_2132154 (CHEMBL4841669)	Inhibition of full-length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014626	7	ChEMBL_2132155 (CHEMBL4841670)	Inhibition of full-length N-terminal GST-tagged BMX (1 to 675 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014626	8	ChEMBL_2132156 (CHEMBL4841671)	Inhibition of full-length N-terminal GST-tagged ITK (2 to 620 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014626	9	ChEMBL_2132157 (CHEMBL4841672)	Inhibition of N-terminal DYKDDDD-tagged EGFR (669 to 1210 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014626	10	ChEMBL_2132161 (CHEMBL4841676)	Inhibition of BTK C481S mutant (unknown origin)
50014626	11	ChEMBL_2132164 (CHEMBL4841679)	Inhibition of TEC (unknown origin)
50014626	12	ChEMBL_2132165 (CHEMBL4841680)	Inhibition of BLK (unknown origin)
50014626	13	ChEMBL_2132191 (CHEMBL4841706)	Inhibition of BTK in human TMD8 cells assessed as reduction in BTK autophosphorylation at Tyr 223 residue after 4 hrs by Western blot analysis
50014628	1	ChEMBL_2132285 (CHEMBL4841800)	Inhibition of TNNI3K (unknown origin)
50014628	2	ChEMBL_2132286 (CHEMBL4841801)	Inhibition of human myc-TNNI3K expressed in HEK-MSR2 cells assessed as reduction in TNNI3K autophosphorylation preincubated for 30 mins followed by pervanadate addition and measured after 20 mins by DELFIA
50014628	3	ChEMBL_2132287 (CHEMBL4841802)	Inhibition of GST-6His tagged VEGFR2 (unknown origin) using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 peptide substrate incubated for 90 mins by HTRF assay
50014628	4	ChEMBL_2132288 (CHEMBL4841803)	Inhibition of p38alpha (unknown origin)
50014628	5	ChEMBL_2132289 (CHEMBL4841804)	Inhibition of B-Raf (unknown origin)
50014628	6	ChEMBL_2132296 (CHEMBL4841811)	Binding affinity to full length human His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence competitive binding assay
50014628	7	ChEMBL_2132298 (CHEMBL4841813)	Binding affinity to full length mouse His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence competitive binding assay
50014628	8	ChEMBL_2132300 (CHEMBL4841815)	Inhibition of human ERG expressed in HEK293 cells
50014628	9	ChEMBL_2132301 (CHEMBL4841816)	Inhibition of VEGFR2 (unknown origin)
50014629	1	ChEMBL_2132368 (CHEMBL4841883)	Inhibition of recombinant BACE-1 (unknown origin)
50014629	2	ChEMBL_2132369 (CHEMBL4841884)	Inhibition of recombinant BACE-1 (unknown origin) using H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-NH2 peptide as substrate incubated for 80 mins by analytical HPLC analysis
50014629	3	ChEMBL_2132370 (CHEMBL4841885)	Inhibition of recombinant BACE-1 (unknown origin) using H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-NH2 peptide as substrate incubated for 90 mins by analytical HPLC analysis
50014629	4	ChEMBL_2132371 (CHEMBL4841886)	Binding affinity to human recombinant BACE-1 (1 to 460 residue) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6.5 hrs by TR-FRET assay
50014630	1	ChEMBL_2132453 (CHEMBL4841968)	Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintillation counting analysis
50018299	1	ChEMBL_2269130	Displacement of BODIPY from APC-labelled human RORgammat LBD incubated for 15 mins by by LANCE detection analysis
50014630	2	ChEMBL_2132455 (CHEMBL4841970)	Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis
50018299	2	ChEMBL_2269132	Inhibition of RORgammat in human Jurkat cells assessed as inhibition of RORgammat transcriptional activity incubated for 10 mins by luciferase reporter gene assay
50014630	3	ChEMBL_2132456 (CHEMBL4841971)	Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis
50014630	4	ChEMBL_2132457 (CHEMBL4841972)	Displacement of [3H]propionyl-pNPY from human neuropeptide Y Y5 receptor in human HEC-1B cells measured after 90 mins by scintillation counting analysis
50014630	5	ChEMBL_2132461 (CHEMBL4841976)	Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 cells assessed as stimulation of beta-arrestin 1 recruitment by multimode plate reader
50014630	6	ChEMBL_2132463 (CHEMBL4841978)	Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 cells assessed as stimulation of beta-arrestin 2 recruitment by multimode plate reader
50014630	7	ChEMBL_2132465 (CHEMBL4841980)	Agonist activity at human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 by calcium aequorin assay
50014631	1	ChEMBL_2132481 (CHEMBL4841996)	Inhibition of PD-1/PD-L1 interaction (unknown origin) by HTRF assay
50014631	2	ChEMBL_2132495 (CHEMBL4842010)	Inhibition of PD-1/PD-L1 interaction in human Jurkat T cells expressing PD-1 cocultured with CHO cells expressing PD-Ll/TCR assessed as activation of Jurkat cells by luciferase reporter gene assay
50014631	3	ChEMBL_2132501 (CHEMBL4842016)	Inhibition of human PD1/PDL1 protein-protein interaction expressed in Escherichia coli BL21 (DE3) by HTRF assay
50014633	1	ChEMBL_2132530 (CHEMBL4842045)	Displacement of [125I]-CCL2 from CCR2 in human PBMC cells
50014633	2	ChEMBL_2132531 (CHEMBL4842046)	Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis
50014633	3	ChEMBL_2132532 (CHEMBL4842047)	Antagonist activity at CCR2 in human whole blood assessed as inhibition of CCL2-induced CD11b upregulation
50014633	4	ChEMBL_2132533 (CHEMBL4842048)	Displacement of [125I]MIP-1beta from CCR5 in human peripheral T cells
50014633	5	ChEMBL_2132534 (CHEMBL4842049)	Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis
50014633	6	ChEMBL_2132535 (CHEMBL4842050)	Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation
50014633	7	ChEMBL_2132536 (CHEMBL4842051)	Displacement of [125I]MIP-1alpha from CCR1 in human THP-1 cells incubated for 12 hrs by radioligand competition assay
50014633	8	ChEMBL_2132537 (CHEMBL4842052)	Displacement of [125I]chemokine from CCR4 (unknown origin) by gamma counter method
50014633	9	ChEMBL_2132538 (CHEMBL4842053)	Displacement of [125I]-interleukin-8 from human CXCR2 expressed in human pEAK rapid cells incubated for 90 mins by microscintillation counting analysis
50014633	10	ChEMBL_2132539 (CHEMBL4842054)	Displacement of [125I]-CCL2 from mouse CCR2
50014635	1	ChEMBL_2132564 (CHEMBL4842079)	Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation pretreated for 20 mins followed by substrate addition incubated for 1 hr in the presence of ATP by TR-FRET assay
50014635	2	ChEMBL_2132565 (CHEMBL4842080)	Inhibition of human TRKA at inactive state assessed as inhibition of substrate phosphorylation using CSKtide as a substrate pretreated for 20 mins followed by substrate addition incubated for 2 hr in the presence of ATP by caliper assay
50014635	3	ChEMBL_2132567 (CHEMBL4842082)	Inhibition of human TRKA expressed in human U2OS cells assessed as inhibition of substrate hydrolysis pretreated for 30 mins followed by NGF agonist addition and measured after 2 hrs by chemiluminescence based pathHunter assay
50014635	4	ChEMBL_2132568 (CHEMBL4842083)	Inhibition of human TRKB expressed in human U2OS cells assessed as inhibition of substrate hydrolysis pretreated for 30 mins followed by BDNF agonist addition and measured after 2 hrs by chemiluminescence based pathHunter assay
50014635	5	ChEMBL_2132570 (CHEMBL4842085)	Binding affinity to human full length TRKA at inactive state expressed in rat PC-12 cells assessed as induction of kinase conformational change at 40 degree C by CETSA assay
50014635	6	ChEMBL_2132571 (CHEMBL4842086)	Binding affinity to human full length TRKA at active state expressed in rat PC-12 cells assessed as induction of kinase conformational change at 52 degree C by CETSA assay
50014636	1	ChEMBL_2132577 (CHEMBL4842092)	Displacement of [3H]-N-methylspiperone from D2 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	2	ChEMBL_2132578 (CHEMBL4842093)	Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 assessed as Galphai1 dissociation preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014636	3	ChEMBL_2132580 (CHEMBL4842095)	Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recruitment preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014636	4	ChEMBL_2132582 (CHEMBL4842097)	Displacement of [3H]-SCH23390 from D1 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	5	ChEMBL_2132583 (CHEMBL4842098)	Displacement of [3H]-SCH23390 from D3 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	6	ChEMBL_2132584 (CHEMBL4842099)	Displacement of [3H]-LSD from 5HT1A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	7	ChEMBL_2132585 (CHEMBL4842100)	Displacement of [3H]-LSD from 5HT2A receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	8	ChEMBL_2132586 (CHEMBL4842101)	Displacement of [3H]-LSD from 5HT2C receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	9	ChEMBL_2132587 (CHEMBL4842102)	Displacement of [3H]-SCH23390 from D4 receptor (unknown origin) expressed in HEK293T cell membranes measured after 2 hrs by microbeta scintillation counting method
50014636	10	ChEMBL_2132588 (CHEMBL4842103)	Partial agonist activity at D2 receptor (unknown origin) expressed in HEK293T cells co-expressing GalphaoA preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014636	11	ChEMBL_2132590 (CHEMBL4842105)	Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GalphaoA preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014636	12	ChEMBL_2132592 (CHEMBL4842107)	Partial agonist activity at D3 receptor (unknown origin) expressed in HEK293T cells co-expressing GFP2-beta-arrestin2 assessed as beta-arrestin2 recruitment preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014636	13	ChEMBL_2132594 (CHEMBL4842109)	Partial agonist activity at 5HT1A receptor (unknown origin) expressed in HEK293T cells co-expressing Rluc8-tagged Galpahi1 preincubated for 2 mins with coelenterazine followed by compound addition and measured after 2 mins by BRET assay
50014638	1	ChEMBL_2132624 (CHEMBL4842139)	Binding affinity to UHRF1 TTD (unknown origin) assessed as dissociation constant by ITC analysis
50014638	2	ChEMBL_2132626 (CHEMBL4842141)	Binding affinity to UHRF1 Y188A/Y191A double mutant (unknown origin) assessed as dissociation constant by ITC analysis
50014638	3	ChEMBL_2132627 (CHEMBL4842142)	Binding affinity to UHRF1 TTD variant loop (unknown origin) assessed as dissociation constant by ITC analysis
50014638	4	ChEMBL_2132632 (CHEMBL4842147)	Binding affinity to UHRF1 M224A mutant (unknown origin) assessed as dissociation constant by ITC analysis
50014638	5	ChEMBL_2132633 (CHEMBL4842148)	Binding affinity to UHRF1 F278A mutant (unknown origin) assessed as dissociation constant by ITC analysis
50014639	1	ChEMBL_2132756 (CHEMBL4842271)	Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assay
50014639	2	ChEMBL_2132758 (CHEMBL4842273)	Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluorescence assay
50014639	3	ChEMBL_2132759 (CHEMBL4842274)	Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluorescence assay
50014639	4	ChEMBL_2132760 (CHEMBL4842275)	Inhibition of c-Jun phosphorylation in LPS-stimulated JNK1-/- mouse embryonic fibroblast incubated for 30 mins by ELISA
50014639	5	ChEMBL_2132761 (CHEMBL4842276)	Inhibition of c-Jun phosphorylation in LPS-stimulated JNK2-/- mouse embryonic fibroblast incubated for 30 mins by ELISA
50014639	6	ChEMBL_2132764 (CHEMBL4842279)	Inhibition of human adenosine A3 receptor
50014641	1	ChEMBL_2132777 (CHEMBL4842292)	Agonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells by FLIPR calcium flux assay
50014643	1	ChEMBL_2132781 (CHEMBL4842296)	Inhibition of endogenous Huntingtin protein (unknown origin) incubated for overnight in presence of MW1/MAB2166 monoclonal antibody by ELISA-based MSD electrochemiluminescence assay
50014646	1	ChEMBL_2132782 (CHEMBL4842297)	Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay
50014647	1	ChEMBL_2132783 (CHEMBL4842298)	Antagonist activity at human A2aR expressed in CHO-K1 cells assessed as inhibition of cAMP accumulation preincubated for 30 mins followed by adenosine addition and measured for 30 mins by HTRF assay
50014647	2	ChEMBL_2132784 (CHEMBL4842299)	Antagonist activity at human A2bR expressed in CHO-K1 cells assessed as inhibition of cAMP accumulation preincubated for 30 mins followed by adenosine addition and measured for 30 mins by HTRF assay
50014648	1	ChEMBL_2132785 (CHEMBL4842300)	Inhibition of human recombinant ACSS2 assessed as AMP release using Coenzyme A/ATP as co-substrates by AMP Glo assay
50014648	2	ChEMBL_2132786 (CHEMBL4842301)	Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into fatty acids measured after 24 hrs by scintillation counting based cellular lipids assay
50014648	3	ChEMBL_2132787 (CHEMBL4842302)	Inhibition of ACSS2 in human HCT-15 cells assessed as inhibition of 14C acetate incorporation into histones measured after 24 hrs by scintillation counting based cellular histone assay
50014649	1	ChEMBL_2132824 (CHEMBL4842434)	Non-competitive inhibition of human LDHA assessed as reduction in lactate production using pyruvate as substrate in presence of NADH by Lineweaver-Burk plot analysis
50014650	1	ChEMBL_2132867 (CHEMBL4842477)	Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AMC as a substrate measured over 30 mins by fluorometric assay
50014650	2	ChEMBL_2132868 (CHEMBL4842478)	Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15 assessed as reduction in free AMC release using Z-FR-AMC as a substrate measured over 30 mins by Cheng-prusoff equation analysis
50014651	1	ChEMBL_2132884 (CHEMBL4842494)	Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO-K1 cell membrane measured after 3 hrs by scintillation spectrometry
50014651	2	ChEMBL_2132885 (CHEMBL4842495)	Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane measured after 3 hrs by scintillation spectrometry
50014651	3	ChEMBL_2132890 (CHEMBL4842500)	Agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cell membrane assessed as increase in GTPgammaS binding pretreated for 30 mins followed by [35S]GTPgammaS addition for 90 mins by [35S]GTP-gammaS binding assay
50014651	4	ChEMBL_2132891 (CHEMBL4842501)	Agonist activity at human recombinant CB2 receptor expressed in CHO-K1 cell membrane assessed as increase in GTPgammaS binding pretreated for 30 mins followed by [35S]GTPgammaS addition for 90 mins by [35S]GTP-gammaS binding assay
50014653	1	ChEMBL_2132951 (CHEMBL4842561)	Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity using Bocillin-protein as fluorescent substrate preincubated for 20 mins measured after 20 mins by SDS PAGE analysis
50014654	1	ChEMBL_2133093 (CHEMBL4842703)	Inhibition of MMP-3 (unknown origin)
50014655	1	ChEMBL_2133098 (CHEMBL4842708)	Inhibition of recombinant human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50014655	2	ChEMBL_2133099 (CHEMBL4842709)	Inhibition of recombinant human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50014655	3	ChEMBL_2133100 (CHEMBL4842710)	Inhibition of recombinant human carbonic anhydrase 4 by stopped-flow CO2 hydration assay
50014655	4	ChEMBL_2133101 (CHEMBL4842711)	Inhibition of recombinant human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50014656	1	ChEMBL_2133182 (CHEMBL4842792)	Inhibition of PDE4B (unknown origin) using [3H]cAMP as substrate incubated for 30 mins by scintillation proximity assay
50014656	2	ChEMBL_2133183 (CHEMBL4842793)	Inhibition of PDE4D (unknown origin)
50014659	1	ChEMBL_2133265 (CHEMBL4842875)	Inhibition of HDAC6 (unknown origin) using Ac-LeuGlyLy-s(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence microtiter plate reader assay
50014659	2	ChEMBL_2133266 (CHEMBL4842876)	Inhibition of HDAC1 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incubated for incubated for 1 hrs by fluorescence microtiter plate reader assay
50014659	3	ChEMBL_2133267 (CHEMBL4842877)	Inhibition of HDAC2 (unknown origin) using Ac-LeuGlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incubated for incubated for 1 hrs by fluorescence microtiter plate reader assay
50014659	4	ChEMBL_2133268 (CHEMBL4842878)	Inhibition of HDAC8 (unknown origin) using Ac-LeuGlyLys(tfa)-AMC as substrate preincubated for 10 mins followed by substrate addition and further incubated for incubated for 1 hrs by fluorescence microtiter plate reader assay
50014659	5	ChEMBL_2133290 (CHEMBL4842900)	Inhibition of HDAC1 (unknown origin)
50014659	6	ChEMBL_2133291 (CHEMBL4842901)	Inhibition of HDAC2 (unknown origin)
50014659	7	ChEMBL_2133292 (CHEMBL4842902)	Inhibition of HDAC3 (unknown origin)
50014659	8	ChEMBL_2133293 (CHEMBL4842903)	Inhibition of HDAC4 (unknown origin)
50014659	9	ChEMBL_2133294 (CHEMBL4842904)	Inhibition of HDAC5 (unknown origin)
50014659	10	ChEMBL_2133295 (CHEMBL4842905)	Inhibition of HDAC6 (unknown origin)
50014659	11	ChEMBL_2133296 (CHEMBL4842906)	Inhibition of HDAC7 (unknown origin)
50014659	12	ChEMBL_2133297 (CHEMBL4842907)	Inhibition of HDAC8 (unknown origin)
50014659	13	ChEMBL_2133298 (CHEMBL4842908)	Inhibition of HDAC9 (unknown origin)
50014659	14	ChEMBL_2133299 (CHEMBL4842909)	Inhibition of HDAC10 (unknown origin)
50014659	15	ChEMBL_2133300 (CHEMBL4842910)	Inhibition of HDAC11 (unknown origin)
50014661	1	ChEMBL_2133316 (CHEMBL4842926)	Binding affinity to N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus-infected Sf21 cells by Microscale thermophoresis analysis
50014665	1	ChEMBL_2133327 (CHEMBL4842937)	Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysis
50014665	2	ChEMBL_2133328 (CHEMBL4842938)	Inhibition of human wild type SERT expressed in COS7 cells assessed as inhibition of [3H]5HT uptake measured for 40 hrs by scintillation counting analysis
50014665	3	ChEMBL_2133329 (CHEMBL4842939)	Displacement of [125I]RTI55 binding from human wild type SERT
50014666	1	ChEMBL_2133468 (CHEMBL4843078)	Inhibition of ovine COX-1 using arachidonic acid as substrate by fluorescence assay
50014666	2	ChEMBL_2133469 (CHEMBL4843079)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate by fluorescence assay
50014669	1	ChEMBL_2133587 (CHEMBL4843197)	Agonist activity at human beta1 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation
50014669	2	ChEMBL_2133588 (CHEMBL4843198)	Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells assessed as cAMP accumulation
50014670	1	ChEMBL_2133624 (CHEMBL4843234)	Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis
50014670	2	ChEMBL_2133626 (CHEMBL4843236)	Inhibition of recombinant human His-tagged IDO1 (Ala2 to Gly403 residues) expressed in Escherichia coli using tryptophan as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by RFMS assay
50014670	3	ChEMBL_2133627 (CHEMBL4843237)	Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated for 24 hrs by RFMS assay
50014670	4	ChEMBL_2133633 (CHEMBL4843243)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LCMS/MS analysis
50014670	5	ChEMBL_2133640 (CHEMBL4843250)	Inhibition of human ERG by fluorescence polarization assay
50014670	6	ChEMBL_2133642 (CHEMBL4843252)	Inhibition of human ERG by Qpatch method
50014670	7	ChEMBL_2133643 (CHEMBL4843253)	Inhibition of human ERG by manual patch clamp method
50014670	8	ChEMBL_2133653 (CHEMBL4843263)	Inhibition of IDO1 in IFNgamma-stimulated mouse Panc02 cells incubated for 48 hrs by RFMS method
50014670	9	ChEMBL_2133670 (CHEMBL4843280)	Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate incubated for 10 mins in presence of NADPH by LCMS/MS analysis
50014670	10	ChEMBL_2133671 (CHEMBL4843281)	Displacement of Tracer Red from human ERG measured after 4 hrs by fluorescence polarization assay
50014670	11	ChEMBL_2133672 (CHEMBL4843282)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LCMS/MS analysis
50014670	12	ChEMBL_2133677 (CHEMBL4843287)	In vivo inhibition of IDO1 in tumor of po dosed NSG mouse xenografted with human SKOV3 cells assessed as reduction in KYN level administered once daily for 5 days measured at 24 hrs post dose
50014670	13	ChEMBL_2133680 (CHEMBL4843290)	Inhibition of human ERG expressed in CHO by QPatch assay
50014670	14	ChEMBL_2133681 (CHEMBL4843291)	Inhibition of human ERG expressed in CHO by manual patch clamp method
50014670	15	ChEMBL_2133697 (CHEMBL4843307)	Inhibition of IDO1 in human whole blood stimulated with IFNgamma/LPS using L-tryptophan/kynurenine as substrate incubated for 15 mins followed by IFNgamma/LPS stimulation and incubated for 24 hrs by LC-MS analysis
50014670	16	ChEMBL_2133698 (CHEMBL4843308)	In vivo inhibition of IDO1 in tumor of po dosed NSG mouse xenografted with human SKOV3 cells assessed as reduction in KYN level administered twice daily for 5 days measured at 12 hrs post dose
50014670	17	ChEMBL_2133699 (CHEMBL4843309)	In vivo inhibition of IDO1 in tumor of po dosed NSG mouse xenografted with human SKOV3 cells assessed as reduction in KYN level administered as single dose measured at 24 hrs post dose
50014671	1	ChEMBL_2133770 (CHEMBL4843380)	Inhibition of DENV2 NS2B-NS3 protease
50014671	2	ChEMBL_2133774 (CHEMBL4843384)	Inhibition of NS2B-NS3 protease in DENV2 EDEN2 infected in human Huh-7 cells
50014671	3	ChEMBL_2133786 (CHEMBL4843396)	Inhibition of NS2B-NS3 intramolecular cleavage in Dengue virus 2 infected in LLC-MK2 cells assessed as inhibition of viral replication measured afer 48 hrs by ELISA
50014671	4	ChEMBL_2133789 (CHEMBL4843399)	Inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli Rosetta2(DE3) using Abz-RRRRSAG-nTyr as substrate preincubated with enzyme for 30 mins prior to substrate addition and measured for 1 hr by fluorescence analysis
50014671	5	ChEMBL_2133794 (CHEMBL4843404)	Inhibition of DENV2 NS2B-NS3 protease assessed as inhibition of protease intermolecular processing
50014674	1	ChEMBL_2133946 (CHEMBL4843556)	Inhibition of CYP1A2 in human liver microsome incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014674	2	ChEMBL_2133947 (CHEMBL4843557)	Inhibition of CYP2C9 in human liver microsome incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014674	3	ChEMBL_2133948 (CHEMBL4843558)	Inhibition of CYP2C19 in human liver microsome incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014674	4	ChEMBL_2133949 (CHEMBL4843559)	Inhibition of CYP2D6 in human liver microsome incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014674	5	ChEMBL_2133950 (CHEMBL4843560)	Inhibition of CYP3A4 in human liver microsome incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014674	6	ChEMBL_2133951 (CHEMBL4843561)	Inhibition of CYP3A4 in human liver microsome using Nifedipine as a substrate incubated for 10 mins in the presence of NADPH by LC-MS/MS analysis
50014675	1	ChEMBL_2133972 (CHEMBL4843582)	Inhibition of SF-tagged FAP (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis
50014675	2	ChEMBL_2133973 (CHEMBL4843583)	Inhibition of SF-tagged DPP4 (unknown origin) expressed in Drosophila S2 cells using fluorogenic substrate by spectrometric analysis
50014676	1	ChEMBL_2133982 (CHEMBL4843592)	Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LDL in 95% human serum by liquid scintillation analysis
50014676	2	ChEMBL_2133992 (CHEMBL4843602)	Transactivation of PXR (unknown origin)
50014676	3	ChEMBL_2133994 (CHEMBL4843604)	Inhibition of human ERG
50014676	4	ChEMBL_2134010 (CHEMBL4843620)	Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein using exogenous LDL and HDL in 2% human serum by liquid scintillation analysis
50014676	5	ChEMBL_2134017 (CHEMBL4843627)	Inhibition of [S35]-MK-0499 binding to human ERG expressed in HEK293 cells
50014676	6	ChEMBL_2134024 (CHEMBL4843634)	Inhibition of Nav1.5 (unknown origin)
50014676	7	ChEMBL_2134025 (CHEMBL4843635)	Inhibition of Cav1.2 (unknown origin)
50014676	8	ChEMBL_2134026 (CHEMBL4843636)	Inhibition of CYP2C8 (unknown origin)
50014676	9	ChEMBL_2134027 (CHEMBL4843637)	Inhibition of OATP1B1 (unknown origin)
50014676	10	ChEMBL_2134029 (CHEMBL4843639)	Inhibition of CYP3A4 (unknown origin)
50014676	11	ChEMBL_2134030 (CHEMBL4843640)	Inhibition of CYP2D6 (unknown origin)
50014676	12	ChEMBL_2134031 (CHEMBL4843641)	Inhibition of CYP2C9 (unknown origin)
50014677	1	ChEMBL_2134185 (CHEMBL4843795)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using VG as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014677	2	ChEMBL_2134188 (CHEMBL4843798)	Inhibition of BRD4 in human PBMC assessed as reduction in LPS-induced IL-6 secretion incubated for 18 to 24 hrs by MSD assay
50014677	3	ChEMBL_2134189 (CHEMBL4843799)	Inhibition of BRD4 in human whole blood assessed as reduction in LPS-induced IL-6 secretion preincubated for 30 mins followed by LPS stimulation and measured after 24 hrs by MSD assay
50014677	4	ChEMBL_2134191 (CHEMBL4843801)	Inhibition of recombinant human CYP2C9 expressed in Escherichia coli using FCA as substrate incubated for 15 to 60 mins by fluorometric assay
50014677	5	ChEMBL_2134192 (CHEMBL4843802)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using DEF as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014677	6	ChEMBL_2134196 (CHEMBL4843806)	Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal 6His-tagged BRD4-BD1 Y390A mutant (1 to 477 residue) expressed in Escherichia coli incubated for 30 mins by TR-FRET assay
50014677	7	ChEMBL_2134202 (CHEMBL4843812)	Inhibition of recombinant human CYP1A2 expressed in Escherichia coli using ER as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014677	8	ChEMBL_2134203 (CHEMBL4843813)	Inhibition of recombinant human CYP2C19 expressed in Escherichia coli using BMC as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014677	9	ChEMBL_2134204 (CHEMBL4843814)	Inhibition of recombinant human CYP2D6 expressed in Escherichia coli using MMC as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014677	10	ChEMBL_2134205 (CHEMBL4843815)	Inhibition of recombinant human CYP3A4 expressed in Escherichia coli using VR as probe substrate incubated for 15 to 60 mins by fluorometric assay
50014679	1	ChEMBL_2134237 (CHEMBL4843847)	Antagonist activity at PAR4 in ICR mouse platelet-rich plasma assessed as inhibition of PAR4 AP AYPGKF-NH2-induced platelet aggregation by photo-turbidimetry assay
50014679	2	ChEMBL_2134238 (CHEMBL4843848)	Antagonist activity at PAR4 in human platelet-rich plasma assessed as inhibition of PAR4 AP AYPGKF-NH2-induced platelet aggregation by photo-turbidimetry assay
50014679	3	ChEMBL_2134240 (CHEMBL4843850)	Antagonist activity at human PAR4 expressed in Ga15-HEK293 cells assessed as reduction in PAR4 AP AYPGKF-NH2-induced cytosolic calcium incubated for 24 hrs by FLIPR - calcium mobilization assay
50014679	4	ChEMBL_2134241 (CHEMBL4843851)	Antagonist activity at human PAR1 expressed in Ga15-HEK293 cells assessed as reduction in PAR1 AP SFFLRR-NH2-induced cytosolic calcium incubated for 24 hrs by FLIPR - calcium mobilization assay
50014679	5	ChEMBL_2134242 (CHEMBL4843852)	Antagonist activity at human PAR2 expressed in Ga15-HEK293 cells assessed as reduction in PAR2 AP 2-furoyl-LIGRLO-NH2-induced cytosolic calcium incubated for 24 hrs by FLIPR - calcium mobilization assay
50014681	1	ChEMBL_2134265 (CHEMBL4843875)	Inhibition of full-length N-terminal GST tagged BTK (1 to 659 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014681	2	ChEMBL_2134266 (CHEMBL4843876)	Inhibition of N-terminal DYKDDDD-tagged EGFR (669 to 1210 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014681	3	ChEMBL_2134267 (CHEMBL4843877)	Inhibition of N-terminal GST-tagged BMX (1 to 675 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014681	4	ChEMBL_2134268 (CHEMBL4843878)	Inhibition of N-terminal GST-tagged ITK (2 to 620 residues) (unknown origin) expressed in Sf21 insect cells using NH2-ETVYSEVRK-biotin as substrate preincubated for 1 hr followed by ATP addition and measured after 2 hrs by ELISA
50014681	5	ChEMBL_2134318 (CHEMBL4843928)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured after 5 mins by LC/MS analysis
50014681	6	ChEMBL_2134337 (CHEMBL4843947)	Inhibition of recombinant human GST-tagged JAK3 expressed in baculovirus expression system incubated for 1 hr by Z'lyte assay
50014681	7	ChEMBL_2134338 (CHEMBL4843948)	Inhibition of recombinant human N-terminal GST-tagged ERBB4 catalytic domain expressed in baculovirus expression system incubated for 1 hr by Z'-LYTE assay
50014681	8	ChEMBL_2134339 (CHEMBL4843949)	Inhibition of recombinant human His-tagged LCK expressed in baculovirus expression system incubated for 1 hr by Z'-LYTE assay
50014681	9	ChEMBL_2134340 (CHEMBL4843950)	Inhibition of recombinant human GST-tagged full length ITK expressed in baculovirus expression system incubated for 1 hr by Z'lyte assay
50014681	10	ChEMBL_2134341 (CHEMBL4843951)	Inhibition of recombinant human His-tagged full length BLK expressed in baculovirus expression system incubated for 1 hr by Z'-LYTE assay
50014681	11	ChEMBL_2134342 (CHEMBL4843952)	Inhibition of recombinant human GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus expression system incubated for 1 hr by Z'-LYTE assay
50014683	1	ChEMBL_2134343 (CHEMBL4843953)	Inhibition of Schistosoma mansoni HDAC8 using Fluor de Lys as substrate incubated for 90 mins by fluorescence method
50014683	2	ChEMBL_2134345 (CHEMBL4843955)	Inhibition of human recombinant HDAC8 using H2N-Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 90 mins by fluorescence based micro plate assay
50014683	3	ChEMBL_2134347 (CHEMBL4843957)	Inhibition of recombinant human HDAC1 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay
50014683	4	ChEMBL_2134351 (CHEMBL4843961)	Inhibition of recombinant human HDAC6 using ZMAL as substrate incubated for 90 mins by fluorescence based micro plate assay
50014684	1	ChEMBL_2134362 (CHEMBL4843972)	Inhibition of p38 alpha (unknown origin)
50014685	1	ChEMBL_2134368 (CHEMBL4843978)	Inhibition of wild type HIV1 Reverse transcriptase RNase H expressed in Escherichia coli using 5'-UUUUUUUUUAGGAUACAUAUGGUUAAAGU-3' oligonucleotide as substrate and DNA21P as primer in presence of [gamma32P]-ATP by PAGE analysis
50014687	1	ChEMBL_2134380 (CHEMBL4843990)	Inhibition of recombinant human full-length PARP-1 using biotinylated substrate
50014687	2	ChEMBL_2134381 (CHEMBL4843991)	Inhibition of recombinant human full-length PARP-2 using biotinylated substrate
50014687	3	ChEMBL_2134405 (CHEMBL4844015)	Binding affinity to recombinant human PARP-1 by SPR analysis
50014687	4	ChEMBL_2134406 (CHEMBL4844016)	Binding affinity to recombinant human PARP-2 by SPR analysis
50014687	5	ChEMBL_2134448 (CHEMBL4844058)	Inhibition of PARP-1 (unknown origin)
50014687	6	ChEMBL_2134449 (CHEMBL4844059)	Inhibition of PARP-2 (unknown origin)
50014688	1	ChEMBL_2134470 (CHEMBL4844080)	Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant measured for 60 secs by surface plasmon resonance assay
50014692	1	ChEMBL_2134548 (CHEMBL4844158)	Binding affinity to GTP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs by fluorescence anisotropy
50014692	2	ChEMBL_2134549 (CHEMBL4844159)	Binding affinity to GppNHp-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs by fluorescence anisotropy
50014692	3	ChEMBL_2134550 (CHEMBL4844160)	Binding affinity to GDP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs by fluorescence anisotropy
50014692	4	ChEMBL_2134551 (CHEMBL4844161)	Displacement of BODIPY-FL-GD from human KRAS G12D (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay
50014692	5	ChEMBL_2134552 (CHEMBL4844162)	Displacement of BODIPY-FL-GD from human KRAS G12C (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay
50014692	6	ChEMBL_2134553 (CHEMBL4844163)	Displacement of BODIPY-FL-GD from human wild type KRAS (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay
50014692	7	ChEMBL_2134557 (CHEMBL4844167)	Inhibition of GPPNP bound KRAS G12V mutant (unknown origin) assessed as reduction in KRAS/GST-fused Raf RBD interaction incubated for 2 hrs by HTRF assay
50014692	8	ChEMBL_2134559 (CHEMBL4844169)	Binding affinity to recombinant human KRAS G12D mutant incubated for 0.5 hrs by ELISA
50014692	9	ChEMBL_2134561 (CHEMBL4844171)	Binding affinity to GppNHp bound His6-tagged KRas G12V mutant (1 to 186 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells
50014692	10	ChEMBL_2134563 (CHEMBL4844173)	Inhibition of His6-tagged KRas G12V mutant (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as reduction in Ras/GST-fused Raf RBD interaction incubated for 1 hr by HTRF assay
50014692	11	ChEMBL_2134565 (CHEMBL4844175)	Binding affinity to GTPgammaS bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization
50014692	12	ChEMBL_2134566 (CHEMBL4844176)	Binding affinity to GppNHp bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization
50014692	13	ChEMBL_2134567 (CHEMBL4844177)	Binding affinity to GDP bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization
50014692	14	ChEMBL_2134568 (CHEMBL4844178)	Binding affinity to bovine serum albumin
50014692	15	ChEMBL_2134588 (CHEMBL4844198)	Inhibition of KRas signaling in EGF-stimulated human NCI-H358 cells assessed as reduction in Akt phosphorylation at ser473 residue preincubated for 4 hrs followed by EGF stimulation and measured after 10 mins by Western blot analysis
50014692	16	ChEMBL_2134589 (CHEMBL4844199)	Inhibition of KRas signaling in EGF-stimulated human NCI-H358 cells assessed as reduction in Akt phosphorylation at thr308 residue preincubated for 4 hrs followed by EGF stimulation and measured after 10 mins by Western blot analysis
50014692	17	ChEMBL_2134590 (CHEMBL4844200)	Inhibition of KRas signaling in EGF-stimulated human NCI-H358 cells assessed as reduction in MEK phosphorylation preincubated for 4 hrs followed by EGF stimulation and measured after 10 mins by Western blot analysis
50014693	1	ChEMBL_2134626 (CHEMBL4844236)	Inhibition of human TRPM2 expressed in HEK293T cells cotransfected with GFP assessed as reduction in ADPR-induced current by whole cell patch-clamp method
50014693	2	ChEMBL_2134635 (CHEMBL4844245)	Inhibition of human TRPM2 expressed in HEK293 cells
50014696	1	ChEMBL_2134647 (CHEMBL4844257)	Inhibition of human recombinant BACE-1 expressed in Escherichia coli using panvera peptide as a substrate incubated for 1 hr by fluorescence analysis
50014696	2	ChEMBL_2134649 (CHEMBL4844259)	Inhibition of human recombinant AChE using acetylthiocholine iodide as a substrate preincubated for 20 mins followed by substrate addition by spectrophotometric analysis
50014696	3	ChEMBL_2134650 (CHEMBL4844260)	Inhibition of human serum BChE using butyrylthiocholine iodide as a substrate preincubated for 20 mins followed by substrate addition by spectrophotometric analysis
50014697	1	ChEMBL_2134690 (CHEMBL4844300)	Inhibition of human TGFbeta receptor 1 in human HEK293 cells preincubated for 24 hrs followed by addition of TGFbeta1 and measured after 24 hrs by luciferase based assay
50014697	2	ChEMBL_2134691 (CHEMBL4844301)	Inhibition of recombinant human GST-tagged MAP4K4 expressed in baculovirus expression system using 5-FAM-KRELVEPLTPSGEAPNQALLR-CONH2 substrate preincubated for 1 hr followed by ATP and substrate addition
50014697	3	ChEMBL_2134693 (CHEMBL4844303)	Inhibition of wild type partial length human MAP4K4 (M1 to R310 residues) expressed in bacterial expression system measured by Kinomescan assay
50014698	1	ChEMBL_2134694 (CHEMBL4844304)	Displacement of Alexa Fluor labelled kinase tracer178 from WEE1 (unknown origin) incubated for 60 mins by FRET assay
50014698	2	ChEMBL_2134699 (CHEMBL4844309)	Inhibition of CYP3A4 (unknown origin)
50014698	3	ChEMBL_2134720 (CHEMBL4844330)	Inhibition of EGFR d747-749/A750P mutant (unknown origin)
50014698	4	ChEMBL_2134721 (CHEMBL4844331)	Inhibition of YSK4 (unknown origin)
50014698	5	ChEMBL_2134722 (CHEMBL4844332)	Inhibition of PLK1 (unknown origin)
50014698	6	ChEMBL_2134723 (CHEMBL4844333)	Inhibition of PLK2 (unknown origin)
50014698	7	ChEMBL_2134724 (CHEMBL4844334)	Inhibition of PLK3 (unknown origin)
50014698	8	ChEMBL_2134732 (CHEMBL4844342)	Inhibition of human ERG
50014700	1	ChEMBL_2134749 (CHEMBL4844359)	Inhibition of EGFR (unknown origin)
50014700	2	ChEMBL_2134751 (CHEMBL4844361)	Inhibition of human EGFR using poly(Glu:Tyr)(4:1) as substrate in presence of [gamma33P]ATP by radiometric HotSpot assay
50014701	1	ChEMBL_2134838 (CHEMBL4844448)	Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis
50014701	2	ChEMBL_2134840 (CHEMBL4844450)	Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysis
50014701	3	ChEMBL_2134849 (CHEMBL4844459)	Inhibition of human trypsin using Nalpha-Benzoyl-L-Arginine p-nitroaniline as substrate measured after 5 mins by plate reader analysis
50014701	4	ChEMBL_2134850 (CHEMBL4844460)	Inhibition of human thrombin using Nalpha-Benzoyl-Phe-Val-Arg p-nitroaniline as substrate measured after 5 mins by plate reader analysis
50014701	5	ChEMBL_2134851 (CHEMBL4844461)	Inhibition of human plasmin using Z-Lys-SBzl as substrate measured immediately by plate reader analysis
50014701	6	ChEMBL_2134852 (CHEMBL4844462)	Inhibition of recombinant human tPA using H-D-Isoleucyl-L-prolyl-L-arginine p-nitroaniline dihydrochloride as substrate measured after 5 mins by plate reader analysis
50014701	7	ChEMBL_2134853 (CHEMBL4844463)	Inhibition of human APC using pyroGlu-Pro-Arg-p-nitroaniline-HCl as substrate measured after 5 mins by plate reader analysis
50014701	8	ChEMBL_2134854 (CHEMBL4844464)	Inhibition of human C1s using Z-Lyc-SBzl as substrate measured immediately by plate reader analysis
50014701	9	ChEMBL_2134855 (CHEMBL4844465)	Inhibition of human factor 10a using N-a-Benzyloxycarbonyl-D-arginyl-L-glycyl-L-arginine-pnitroaniline-dihydrochloride as substrate measured after 5 mins by plate reader analysis
50014701	10	ChEMBL_2134856 (CHEMBL4844466)	Inhibition of human factor 12a using D-prolyl-L-phenylalanyl-L-arginine-p-nitroaniline as substrate measured after 5 mins by plate reader analysis
50014701	11	ChEMBL_2134857 (CHEMBL4844467)	Inhibition of recombinant human tissue kallikrein using Boc-Val-Pro-Arg-AMC as substrate measured after 5 mins by plate reader analysis
50014701	12	ChEMBL_2134889 (CHEMBL4844499)	Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis
50014703	1	ChEMBL_2134892 (CHEMBL4844502)	Inhibition of Zika virus recombinant NS2B (47 to 95 residues)/NS3 (1 to 177 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins by fluorescence-based biochemical assay
50014703	2	ChEMBL_2134893 (CHEMBL4844503)	Inhibition of Dengue virus 2 NS2B (50 to 95 residues)/NS3 (1 to 182 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins by fluorescence-based biochemical assay
50014703	3	ChEMBL_2134894 (CHEMBL4844504)	Inhibition of West Nile virus NS2B (49 to 96 residues)/NS3 (2 to 184 residues) protease expressed in Escherichia coli BL21 using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins by fluorescence-based biochemical assay
50014707	1	ChEMBL_2134899 (CHEMBL4844509)	Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method
50014707	2	ChEMBL_2134901 (CHEMBL4844511)	Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method
50014707	3	ChEMBL_2134902 (CHEMBL4844512)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric based Ellman's method
50014707	4	ChEMBL_2134905 (CHEMBL4844515)	Inhibition of HFIP-pretreated human recombinant amyloid beta (1 to 42) self aggregation incubated up to 48 hrs under shaking condition and measured every 3 min by Thioflavin T based fluorescence assay
50014708	1	ChEMBL_2134919 (CHEMBL4844529)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50014708	2	ChEMBL_2134923 (CHEMBL4844533)	Binding affinity to 5HT3 receptor (unknown origin)
50014708	3	ChEMBL_2134924 (CHEMBL4844534)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50014708	4	ChEMBL_2134925 (CHEMBL4844535)	Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in CHO-K1 cell membranes measured after 1 hr by microbeta counting method
50014708	5	ChEMBL_2134926 (CHEMBL4844536)	Displacement of [3H]-haloperidol from human D2L receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50014708	6	ChEMBL_2134927 (CHEMBL4844537)	Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method
50014708	7	ChEMBL_2134928 (CHEMBL4844538)	Antagonist activity at human 5-HT3 receptor expressed in CHO-K1 cells assessed as inhibition of 5-HT induced inward currents preincubated for 30 sec followed by 5HT addition for 2 sec at -60 mV holding potential by ion flux automated patch clamp assay
50014708	8	ChEMBL_2134929 (CHEMBL4844539)	Binding affinity to human adrenergic alpha 2A receptor
50014708	9	ChEMBL_2134930 (CHEMBL4844540)	Binding affinity to human 5-HT2B receptor
50014708	10	ChEMBL_2134931 (CHEMBL4844541)	Binding affinity to human adrenergic beta1 receptor
50014708	11	ChEMBL_2134932 (CHEMBL4844542)	Binding affinity to human dopamine D3 receptor
50014708	12	ChEMBL_2134933 (CHEMBL4844543)	Binding affinity to human histamine H1 receptor
50014708	13	ChEMBL_2134936 (CHEMBL4844546)	Binding affinity to human 5-HT2C receptor
50014708	14	ChEMBL_2134937 (CHEMBL4844547)	Binding affinity to human 5-HT1B receptor
50014708	15	ChEMBL_2134938 (CHEMBL4844548)	Binding affinity to human ERG
50014708	16	ChEMBL_2134940 (CHEMBL4844550)	Binding affinity to human DAT
50014708	17	ChEMBL_2134941 (CHEMBL4844551)	Binding affinity to human NET
50014708	18	ChEMBL_2134943 (CHEMBL4844553)	Binding affinity to human M1 receptor
50014708	19	ChEMBL_2134944 (CHEMBL4844554)	Binding affinity to human 5-HT5A receptor
50014708	20	ChEMBL_2134945 (CHEMBL4844555)	Binding affinity to human mu opioid receptor
50014708	21	ChEMBL_2134946 (CHEMBL4844556)	Binding affinity to human kappa opioid receptor
50014708	22	ChEMBL_2134947 (CHEMBL4844557)	Binding affinity to human sigma 1 receptor
50014708	23	ChEMBL_2134948 (CHEMBL4844558)	Binding affinity to human adrenergic alpha2B receptor
50014708	24	ChEMBL_2134950 (CHEMBL4844560)	Antagonist activity at 5-HT6 receptor (unknown origin) expressed in NG108-15 cells assessed as reduction in cAMP level after 5 mins by BRET assay
50014708	25	ChEMBL_2134956 (CHEMBL4844566)	Inhibition of CYP1A2 (unknown origin)
50014708	26	ChEMBL_2134957 (CHEMBL4844567)	Inhibition of CYP2C19 (unknown origin)
50014708	27	ChEMBL_2134958 (CHEMBL4844568)	Inhibition of CYP3A4 (unknown origin)
50014708	28	ChEMBL_2134983 (CHEMBL4844593)	Displacement of [3H]-BRL 43694 from 5-HT3 receptor in rat cortex membrane incubated for 30 mins by liquid scintillation counting method
50014709	1	ChEMBL_2135086 (CHEMBL4844696)	Inhibition of human CA1 measured after 15 mins by stopped flow carbon dioxide anhydrase assay
50014709	2	ChEMBL_2135087 (CHEMBL4844697)	Inhibition of human CA2 measured after 15 mins by stopped flow carbon dioxide anhydrase assay
50014709	3	ChEMBL_2135088 (CHEMBL4844698)	Inhibition of human CA9 measured after 15 mins by stopped flow carbon dioxide anhydrase assay
50014709	4	ChEMBL_2135089 (CHEMBL4844699)	Inhibition of human CA12 measured after 15 mins by stopped flow carbon dioxide anhydrase assay
50014710	1	ChEMBL_2135142 (CHEMBL4844752)	Inhibition of mTOR (unknown origin) using U-Light-4E-BP1 peptide as a substrate in the presence of ATP incubated for 30 mins by Lance ultra assay
50014710	2	ChEMBL_2135143 (CHEMBL4844753)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as a substrate pretreated for 15 mins followed by substrate addition
50014710	3	ChEMBL_2135144 (CHEMBL4844754)	Inhibition of HDAC2 (unknown origin) using Ac-peptide as a substrate pretreated for 15 mins followed by substrate addition
50014710	4	ChEMBL_2135145 (CHEMBL4844755)	Inhibition of HDAC3 (unknown origin) using Ac-peptide as a substrate pretreated for 15 mins followed by substrate addition
50014710	5	ChEMBL_2135146 (CHEMBL4844756)	Inhibition of HDAC8 (unknown origin) using Ac-peptide as a substrate pretreated for 15 mins followed by substrate addition
50014710	6	ChEMBL_2135147 (CHEMBL4844757)	Inhibition of HDAC6 (unknown origin) using Ac-peptide as a substrate pretreated for 15 mins followed by substrate addition
50014711	1	ChEMBL_2135180 (CHEMBL4844790)	Inhibition of human HDAC6 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	2	ChEMBL_2135181 (CHEMBL4844791)	Inhibition of human HDAC4 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	3	ChEMBL_2135182 (CHEMBL4844792)	Inhibition of human HDAC10 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	4	ChEMBL_2135183 (CHEMBL4844793)	Inhibition of human HDAC8 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	5	ChEMBL_2135184 (CHEMBL4844794)	Inhibition of human HDAC1 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	6	ChEMBL_2135185 (CHEMBL4844795)	Inhibition of human HDAC2 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014711	7	ChEMBL_2135186 (CHEMBL4844796)	Inhibition of human HDAC11 using fluorogenic substrate incubated for 1 hrs by fluorescence plate reader assay
50014713	1	ChEMBL_2135214 (CHEMBL4844824)	Inhibition of EGFR L858R mutant (unknown origin)
50014713	2	ChEMBL_2135225 (CHEMBL4844835)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 0.5 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay
50014713	3	ChEMBL_2135226 (CHEMBL4844836)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 1 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay
50014713	4	ChEMBL_2135227 (CHEMBL4844837)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in paclitaxel IC50 at 2 uM pre-incubated for 4 hrs followed by paclitaxel addition and measured after 72 hrs by MTT assay
50014713	5	ChEMBL_2135231 (CHEMBL4844841)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 0.5 uM pre-incubated for 4 hrs followed by colchicine addition and measured after 72 hrs by MTT assay
50014713	6	ChEMBL_2135232 (CHEMBL4844842)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 1 uM pre-incubated for 4 hrs followed by colchicine addition and measured after 72 hrs by MTT assay
50014713	7	ChEMBL_2135233 (CHEMBL4844843)	Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as reduction in colchicine IC50 at 2 uM pre-incubated for 4 hrs followed by colchicine addition and measured after 72 hrs by MTT assay
50014713	8	ChEMBL_2135243 (CHEMBL4844853)	Inhibition of recombinant human P-gp ATPase activity incubated for 60 mins by luminescence based Glo assay
50014713	9	ChEMBL_2135244 (CHEMBL4844854)	Inhibition of human recombinant CYP3A4 by fluorescence assay
50014715	1	ChEMBL_2135250 (CHEMBL4844860)	Inhibition of N-terminal His6-tagged KDM4E (1 to 337 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-R3 preincubated for 10 mins followed by substrate addition by fluorescence based FDH-coupled assay
50014715	2	ChEMBL_2135251 (CHEMBL4844861)	Inhibition of N-terminal His6-tagged KDM4E (1 to 337 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-R3 preincubated for 10 mins followed by alpha-KG addition after CTH addition for 2 hrs by ELISA
50014717	1	ChEMBL_2135284 (CHEMBL4844894)	Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay
50014717	2	ChEMBL_2135285 (CHEMBL4844895)	Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assay
50014717	3	ChEMBL_2135286 (CHEMBL4844896)	Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay
50014718	1	ChEMBL_2135390 (CHEMBL4845000)	Binding affinity to human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by 1H-15N SOFAST-HMQC spectroscopic analysis
50014718	2	ChEMBL_2135392 (CHEMBL4845002)	Displacement of FITC-labelled 5-(((8-Chloro-9-(3-methylpyridin-4-yl)-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl)carbamoyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition assay
50014718	3	ChEMBL_2135393 (CHEMBL4845003)	Displacement of FITC-labelled SP2 probe from human TIM-3 IgV domain (residues 22 to 130) expressed in Escherichia coli BL21 (DE3) by FPA competition assay
50014721	1	ChEMBL_2135398 (CHEMBL4845008)	Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 mins by ATP Kinase Glo assay
50014721	2	ChEMBL_2135401 (CHEMBL4845011)	Inhibition of recombinant GST-AURKA (residues Ser123 to Ser401) (unknown origin) expressed in Sf9 insect cells using tetra(-LRRASLG) peptide as substrate incubated for 90 mins by ATP Kinase Glo assay
50014721	3	ChEMBL_2135402 (CHEMBL4845012)	Inhibition of human recombinant full length GST-AURKB using tetra(-LRRASLG) peptide as substrate incubated for 20 mins by ATP Kinase Glo assay
50014721	4	ChEMBL_2135414 (CHEMBL4845024)	Inhibition of wild-type human partial length CSF1R (I564 to S939 residues) expressed in bacterial expression system by Kinomescan method
50014721	5	ChEMBL_2135415 (CHEMBL4845025)	Inhibition of human c-Kit by Kinomescan method
50014721	6	ChEMBL_2135416 (CHEMBL4845026)	Inhibition of wild-type human partial length PDGFRalpha (V575 to D1002 residues) expressed in mammalian expression system by Kinomescan method
50014721	7	ChEMBL_2135417 (CHEMBL4845027)	Inhibition of wild-type human partial length PDGFRbeta (V582 to Y1009 residues) expressed in bacterial expression system by Kinomescan method
50014721	8	ChEMBL_2135418 (CHEMBL4845028)	Inhibition of wild-type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system by Kinomescan method
50014721	9	ChEMBL_2135419 (CHEMBL4845029)	Inhibition of wild-type human partial length FLT3 (V592 to Y969 residues) expressed in bacterial expression system by Kinomescan method
50014721	10	ChEMBL_2135420 (CHEMBL4845030)	Inhibition of wild-type human partial length AURKB (D25 to A303 residues) expressed in mammalian expression system by Kinomescan method
50014721	11	ChEMBL_2135421 (CHEMBL4845031)	Inhibition of wild-type human full length PAK3 (M1 to R544 residues) expressed in bacterial expression system by Kinomescan method
50014721	12	ChEMBL_2135422 (CHEMBL4845032)	Inhibition of wild-type human partial length VEGFR2 (R787 to P1253 residues) expressed in mammalian expression system by Kinomescan method
50014724	1	ChEMBL_2135438 (CHEMBL4845048)	Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins by scintillation proximity assay
50014724	2	ChEMBL_2135439 (CHEMBL4845049)	Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCMS assay
50014724	3	ChEMBL_2135442 (CHEMBL4845052)	Inhibition of rat recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCMS assay
50014724	4	ChEMBL_2135455 (CHEMBL4845065)	Inhibition of human MGAT3
50014724	5	ChEMBL_2135456 (CHEMBL4845066)	Inhibition of human AWAT2
50014724	6	ChEMBL_2135457 (CHEMBL4845067)	Inhibition of human DGAT1
50014725	1	ChEMBL_2135490 (CHEMBL4845100)	Inhibition of HDAC1 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	2	ChEMBL_2135491 (CHEMBL4845101)	Inhibition of HDAC2 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	3	ChEMBL_2135492 (CHEMBL4845102)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells measured after 30 mins by fluorescence microplate reader assay
50014725	4	ChEMBL_2135493 (CHEMBL4845103)	Inhibition of HDAC4 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	5	ChEMBL_2135494 (CHEMBL4845104)	Inhibition of HDAC5 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	6	ChEMBL_2135495 (CHEMBL4845105)	Inhibition of recombiant human HDAC6 using fluorogenic HDAC substrate 3 measured after 30 mins by fluorescence microplate reader assay
50014725	7	ChEMBL_2135496 (CHEMBL4845106)	Inhibition of HDAC7 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	8	ChEMBL_2135497 (CHEMBL4845107)	Inhibition of HDAC8 (unknown origin) measured after 30 mins by fluorescence microplate reader assay
50014725	9	ChEMBL_2135498 (CHEMBL4845108)	Inhibition of recombinant human HDAC9 measured after 30 mins by fluorescence microplate reader assay
50014725	10	ChEMBL_2135499 (CHEMBL4845109)	Inhibition of recombinant human HDAC11 measured after 30 mins by fluorescence microplate reader assay
50014725	11	ChEMBL_2135500 (CHEMBL4845110)	Inhibition of recombinant human SIRT2 measured after 30 mins by fluorescence microplate reader assay
50014725	12	ChEMBL_2135501 (CHEMBL4845111)	Inhibition of recombinant human SIRT5 measured after 30 mins by fluorescence microplate reader assay
50014725	13	ChEMBL_2135502 (CHEMBL4845112)	Inhibition of full length human CDK2 (1 to 298 end residues)/N-terminal GST-tagged CyclinA2 (1 to 432 residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate and ATP addition by mobility shift assay
50014725	14	ChEMBL_2135503 (CHEMBL4845113)	Inhibition of full length human CDK4 (1 to 303 residues)/N-terminal GST-fusion tagged CyclinD3 (1 to 292 residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate and ATP addition by mobility shift assay
50014725	15	ChEMBL_2135504 (CHEMBL4845114)	Inhibition of full length human CDK6 (1 to 326 end residues)/N-terminal GST-fusion tagged CyclinD3 (1 to 292 residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate and ATP addition by mobility shift assay
50014726	1	ChEMBL_2135561 (CHEMBL4845171)	Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by patch clamp assay
50014728	1	ChEMBL_2135607 (CHEMBL4845217)	Inhibition of HDAC1 (unknown origin) using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	2	ChEMBL_2135608 (CHEMBL4845218)	Inhibition of HDAC6 (unknown origin) using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	3	ChEMBL_2135623 (CHEMBL4845233)	Inhibition of human HDAC2 using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	4	ChEMBL_2135624 (CHEMBL4845234)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	5	ChEMBL_2135625 (CHEMBL4845235)	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus expression system using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	6	ChEMBL_2135626 (CHEMBL4845236)	Inhibition of N-terminal GST-tagged full length human HDAC5 (627 to 1084 residues) expressed in baculovirus expression system using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	7	ChEMBL_2135627 (CHEMBL4845237)	Inhibition of N-terminal GST-tagged full length human HDAC7 (518 to end residues) expressed in baculovirus expression system using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	8	ChEMBL_2135628 (CHEMBL4845238)	Inhibition of C-terminal GST-tagged full length human HDAC8 (518 to end residues) expressed in baculovirus expression system using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	9	ChEMBL_2135629 (CHEMBL4845239)	Inhibition of C-terminal GST-tagged full length human HDAC9 (604 to 1066 residues) expressed in baculovirus expression system using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	10	ChEMBL_2135630 (CHEMBL4845240)	Inhibition of N-terminal FLAG-tagged full length human HDAC10 (2 to 631 residues) expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	11	ChEMBL_2135631 (CHEMBL4845241)	Inhibition of N-terminal FLAG-tagged full length human HDAC11 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate incubated for 1 hr by fluorescence method
50014728	12	ChEMBL_2135696 (CHEMBL4845306)	Inhibition of CYP1A2 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014728	13	ChEMBL_2135697 (CHEMBL4845307)	Inhibition of CYP2C9 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014728	14	ChEMBL_2135698 (CHEMBL4845308)	Inhibition of CYP2C19 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014728	15	ChEMBL_2135699 (CHEMBL4845309)	Inhibition of CYP3A4 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014728	16	ChEMBL_2135700 (CHEMBL4845310)	Inhibition of CYP2D6 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014728	17	ChEMBL_2135701 (CHEMBL4845311)	Inhibition of CYP2E1 in human liver microsomes using probe substrate in presence of NADPH regenerating system incubated for 60 mins by UFLC-MS/MS analysis
50014729	1	ChEMBL_2135860 (CHEMBL4845470)	Inhibition of human ERG
50014729	2	ChEMBL_2135861 (CHEMBL4845471)	Inhibition of 5HT2B receptor (unknown origin)
50014729	3	ChEMBL_2135862 (CHEMBL4845472)	Inhibition of A2A receptor (unknown origin)
50014729	4	ChEMBL_2135867 (CHEMBL4845477)	Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs
50014729	5	ChEMBL_2135868 (CHEMBL4845478)	Inhibition of full-length human ASK1 expressed in HEK293T cells assessed as reduction in autophosphorylation of ASK1 at T383 residue incubated for 1 hr
50014730	1	ChEMBL_2135895 (CHEMBL4845505)	Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec
50014730	2	ChEMBL_2135900 (CHEMBL4845510)	Inhibition of human recombinant CYP2D6 expressed in insect cells using AMMC as substrate preincubated for 30 mins followed by NADPH regenerating system addition and measured after 45 mins by fluorescence based assay
50014730	3	ChEMBL_2135902 (CHEMBL4845512)	Inhibition of CYP3A4 (unknown origin)
50014730	4	ChEMBL_2135903 (CHEMBL4845513)	Inhibition of CYP2C9 (unknown origin)
50014730	5	ChEMBL_2135920 (CHEMBL4845530)	Inhibition of human ERG by automated patch clamp method
50014732	1	ChEMBL_2135936 (CHEMBL4845546)	Inhibition of GDP-loaded His-tagged KRAS G12C mutant (2 to 182 residues) (unknown origin) assessed as inhibition of SOS1-catalyzed nucleotide exchange preincubated for 1 hr followed by SOS1 addition measured after 1 hr by TR-FRET assay
50014732	2	ChEMBL_2135937 (CHEMBL4845547)	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 2 hrs by HTRF assay
50014735	1	ChEMBL_2135940 (CHEMBL4845550)	Displacement of Cy5-labelled tracer from biotinylated GDP-loaded human recombinant KRAS G12D mutant (1 to 169 residues) measured after 60 mins by TR-FRET assay
50014736	1	ChEMBL_2135941 (CHEMBL4845551)	Inhibition of ARG1 (unknown origin) assessed as reduction in thio-ornithine production using thioarginine as substrate by fluorimetric analysis
50014737	1	ChEMBL_2135950 (CHEMBL4845560)	Binding affinity to CM5 chip immobilized Influenza A virus (A/Michigan/45/2015) (H1N1)) hemagglutin assessed as dissociation constant by surface plasmon resonance assay
50014737	2	ChEMBL_2135955 (CHEMBL4845565)	Inhibition of CM5 chip immobilized Influenza A virus (A/Viet Nam/1203/2004(H5N1)) HA by SPR method
50014738	1	ChEMBL_2135960 (CHEMBL4845570)	Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay
50014738	2	ChEMBL_2135961 (CHEMBL4845571)	Inhibition of mTOR (unknown origin) by LanthaScreen assay
50014738	3	ChEMBL_2135962 (CHEMBL4845572)	Inhibition of human PIM1 using ARKRRRHPSGPPTA as substrate measured after 1.5 hrs by ADP hunter plus assay
50014738	4	ChEMBL_2135963 (CHEMBL4845573)	Inhibition of human PI3K p110alpha/p85alpha by HTRF assay
50014738	5	ChEMBL_2135964 (CHEMBL4845574)	Inhibition of human PI3K p110beta/p85alpha by HTRF assay
50014738	6	ChEMBL_2135965 (CHEMBL4845575)	Inhibition of human PI3K p110delta/p85alpha by HTRF assay
50014738	7	ChEMBL_2135966 (CHEMBL4845576)	Inhibition of human PI3Kgamma by HTRF assay
50014738	8	ChEMBL_2135967 (CHEMBL4845577)	Inhibition of PIM2 (unknown origin) using ARKRRRHPSGPPTA as peptide substrate by ADP Hunter Plus assay
50014738	9	ChEMBL_2135968 (CHEMBL4845578)	Inhibition of PIM3 (unknown origin) using ARKRRRHPSGPPTA as peptide substrate by ADP Hunter Plus assay
50014738	10	ChEMBL_2135985 (CHEMBL4845595)	Inhibition of full length human Pim-2 kinase expressed in Escherichia coli BL21/DE3 using S6 peptide as substrate by coupled enzyme assay
50014739	1	ChEMBL_2144958 (CHEMBL5029238)	Positive allosteric modulation of human D2 receptor expressed in CHO cells assessed as inhibition of forskolin stimulated cAMP accumulation by measuring dopamine EC50 at 0.01 nM pretreated for 10 mins followed by forskolin stimulation for 5 mins and measured after 1 hr by HTRF assay
50014740	1	ChEMBL_2144978 (CHEMBL5029258)	Inhibition of jack bean alpha-mannosidase
50014738	13	ChEMBL_2135993 (CHEMBL4845603)	Inhibition of CYP2C9 (unknown origin)
50014738	14	ChEMBL_2135995 (CHEMBL4845605)	Binding affinity to TTK (unknown origin)
50014740	2	ChEMBL_2144990 (CHEMBL5029270)	Inhibition of Jack bean alpha-mannosidase by Lineweaver-Burk plot
50014741	1	ChEMBL_2145003 (CHEMBL5029283)	Inhibition of recombinant human PI3Kgamma assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by substrate addition measured after 60 mins by ADP-glo assay
50014741	2	ChEMBL_2145004 (CHEMBL5029284)	Inhibition of recombinant human PI3Kdelta assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by substrate addition measured after 60 mins by ADP-glo assay
50014741	3	ChEMBL_2145005 (CHEMBL5029285)	Inhibition of PI3Kgamma in C5a-stimulated mouse RAW 264 cells assessed as inhibition of AKT phosphorylation at Ser473 residue Pretreated for 15 mins followed by C5a stimulation measured after 3 mins by HTRF assay
50014741	4	ChEMBL_2145007 (CHEMBL5029287)	Inhibition of PI3Kdelta in anti-IgM-stimulated human JeKo-1 cells assessed as inhibition of AKT phosphorylation at Ser473 residue incubated for 60 mins by TR-FRET assay
50014741	5	ChEMBL_2145008 (CHEMBL5029288)	Inhibition of recombinant human PI3Kalpha assessed as reduction in ADP production using Dic8-PIP2 as substrate pre-treated for 15 mins followed by substrate addition measured after 60 mins by ADP-glo assay
50014741	6	ChEMBL_2145015 (CHEMBL5029295)	Inhibition of PIK3C2A (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014741	7	ChEMBL_2145016 (CHEMBL5029296)	Inhibition of PIK3C2B (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014741	8	ChEMBL_2145017 (CHEMBL5029297)	Inhibition of PIK3C2G (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014741	9	ChEMBL_2145018 (CHEMBL5029298)	Inhibition of PIK3C3 (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014741	10	ChEMBL_2145019 (CHEMBL5029299)	Inhibition of PI4KA (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014741	11	ChEMBL_2145020 (CHEMBL5029300)	Inhibition of PI4KB (unknown origin) assessed as reduction in substrate phosphorylation by FRET Adapta assay
50014742	1	ChEMBL_2145069 (CHEMBL5029349)	Inhibition of recombinant CYP34A (unknown origin) using fluorogenic substrate in presence of NADPH generating system by fluoroscence analysis
50014743	1	ChEMBL_2145098 (CHEMBL5029378)	Agonist activity at human OX1R stably expressed in CHO RD-HGA16 cells assessed as fluorescence changes measured after 30 mins by calcium mobilization assay
50014743	2	ChEMBL_2145100 (CHEMBL5029380)	Agonist activity at human OX2R stably expressed in CHO RD-HGA16 cells assessed as fluorescence changes measured after 30 mins by calcium mobilization assay
50014743	3	ChEMBL_2145116 (CHEMBL5029396)	Agonist activity at human OX1R stably expressed in CHO cells
50014743	4	ChEMBL_2145117 (CHEMBL5029397)	Agonist activity at human OX2R stably expressed in CHO cells
50014744	1	ChEMBL_2145166 (CHEMBL5029446)	Binding affinity to BRD4 bromodomain 1 (unknown origin) assessed as dissociation constant by ITC assay
50014744	2	ChEMBL_2145167 (CHEMBL5029447)	Binding affinity to CREBBP (unknown origin) assessed as dissociation constant by ITC assay
50014744	3	ChEMBL_2145168 (CHEMBL5029448)	Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL assessed as dissociation constant by ITC assay
50014744	4	ChEMBL_2145169 (CHEMBL5029449)	Inhibition of CREBBP (unknown origin) by alpha screen assay
50014744	5	ChEMBL_2145170 (CHEMBL5029450)	Binding affinity to human CREBBP bromodomain expressed in Escherichia coli BL21 (DE3)-RIL
50014744	6	ChEMBL_2145171 (CHEMBL5029451)	Inhibition of human CREBBP by alpha screen assay
50014744	7	ChEMBL_2145172 (CHEMBL5029452)	Inhibition of human CREBBP
50014744	8	ChEMBL_2145173 (CHEMBL5029453)	Binding affinity to human BRD4 bromodomain 1 assessed as dissociation constant by ITC assay
50014744	9	ChEMBL_2145174 (CHEMBL5029454)	Binding affinity to human BRD4 bromodomain 1
50014744	10	ChEMBL_2145176 (CHEMBL5029456)	Binding affinity to human BRD4 bromodomain 1 assessed as dissociation constant by NMR analysis
50014744	11	ChEMBL_2145177 (CHEMBL5029457)	Binding affinity to human CREBBP assessed as dissociation constant by BROMOscan assay
50014744	12	ChEMBL_2145178 (CHEMBL5029458)	Binding affinity to human EP300 assessed as dissociation constant by BROMOscan assay
50014745	1	ChEMBL_2145198 (CHEMBL5029478)	Inhibition of truncated human N-terminal GST-fusion tagged IRAK1 (194 to 712 residues) expressed in baculovirus expression system using FAM-labelled peptide as substrate preincubated for 10 mins followed by substrate addition and further incubated for 1 hr in presence of ATP at Km concentration by caliper mobility shift assay
50014745	2	ChEMBL_2145199 (CHEMBL5029479)	Inhibition of full length human N-terminal GST-fusion tagged IRAK4 expressed in baculovirus expression system using FAM-labelled peptide as substrate preincubated for 10 mins followed by substrate addition and further incubated for 1 hr in presence of ATP at Km concentration by caliper mobility shift assay
50014745	3	ChEMBL_2145202 (CHEMBL5029482)	Displacement of 5-FAM-labelled DEALA-HypYIPMDDDFQLRSF peptide from VHL (unknown origin) by fluorescence polarization assay
50014747	1	ChEMBL_2145224 (CHEMBL5029504)	Covalent inhibition of glycosylated Notum 1 (unknown origin) using OPTS as reporter substrate incubated for 40 mins by microplate reader based analysis
50014747	2	ChEMBL_2145225 (CHEMBL5029505)	Inhibition of Notum 1 (unknown origin) expressed in HEK293 cells harbouring TCF/LEF luciferase reporter gene assessed as modulation of Wnt/beta-catenin signalling pathway preincubated with recombinant Wnt-3A for 1 hr followed by addition to reporter cell plate incubated overnight by luminescence based microplate reader analysis
50014748	1	ChEMBL_2145370 (CHEMBL5029650)	Uncompetitive type inhibition of human AOX assessed as inhibition constant using phthalazine as substrate preincubated for 30 mins followed by substrate addition by HPLC-MS analysis
50014748	2	ChEMBL_2145371 (CHEMBL5029651)	Uncompetitive type inhibition of human AOX assessed as inhibition constant using vanillin as substrate by HPLC-MS analysis
50014748	3	ChEMBL_2145372 (CHEMBL5029652)	Uncompetitive type inhibition of human AOX assessed as inhibition constant using nicotine-1(S)-iminium ion as substrate incubated for 2 mins by HPLC-MS analysis
50014749	1	ChEMBL_2145375 (CHEMBL5029655)	Inhibition of ChoKalpha (unknown origin) by HTS assay
50014749	2	ChEMBL_2145376 (CHEMBL5029656)	Inhibition of ChoKbeta (unknown origin) by HTS assay
50014749	3	ChEMBL_2145383 (CHEMBL5029663)	Inhibition of ChoKalpha (unknown origin) in presence of 1200 uM ATP by HTS assay
50014749	4	ChEMBL_2145384 (CHEMBL5029664)	Inhibition of ChoKalpha (unknown origin) in presence of 400 uM ATP by HTS assay
50014749	5	ChEMBL_2145385 (CHEMBL5029665)	Inhibition of ChoKalpha (unknown origin) in presence of 133 uM ATP by HTS assay
50014749	6	ChEMBL_2145386 (CHEMBL5029666)	Inhibition of ChoKalpha (unknown origin) in presence of 44 uM ATP by HTS assay
50014750	1	ChEMBL_2145440 (CHEMBL5029720)	Inhibition of EP300 (unknown origin) by AlphaLISA immunodetection assay
50014750	2	ChEMBL_2145444 (CHEMBL5029724)	Inhibition of CBP (unknown origin)
50014750	3	ChEMBL_2145445 (CHEMBL5029725)	Inhibition of MYST2 (unknown origin)
50014750	4	ChEMBL_2145446 (CHEMBL5029726)	Inhibition of MYST4 (unknown origin)
50014750	5	ChEMBL_2145447 (CHEMBL5029727)	Inhibition of PCAF (unknown origin)
50014750	6	ChEMBL_2145448 (CHEMBL5029728)	Inhibition of GCN5 (unknown origin)
50014750	7	ChEMBL_2145449 (CHEMBL5029729)	Inhibition of TIP60 (unknown origin)
50014751	1	ChEMBL_2145450 (CHEMBL5029730)	Binding affinity to human TTR assessed as binding constant in PBS buffer at pH 7.4 measured after 20 mins fluorescence polarization assay
50014751	2	ChEMBL_2145451 (CHEMBL5029731)	Induction of stability of human recombinant interleukin 2 assessed as binding affinity of drug-conjugated rIL2 to human TTR in PBS buffer at pH 7.4 measured after 20 mins fluorescence polarization assay
50014751	3	ChEMBL_2145454 (CHEMBL5029734)	Induction of stability of human recombinant interleukin 2 assessed as increase in mouse CTLL-2 cell proliferation measured after 48 hrs by WST-1 assay (Rvb= 0.42 ng/ml)
50014752	1	ChEMBL_2145460 (CHEMBL5029740)	Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate by FRET assay
50014752	2	ChEMBL_2145461 (CHEMBL5029741)	Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate incubated for 2 hrs by FRET assay
50014752	3	ChEMBL_2145462 (CHEMBL5029742)	Displacement of [3H]-JNJ962 from BACE1 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting analysis
50014752	4	ChEMBL_2145463 (CHEMBL5029743)	Displacement of [3H]-JNJ962 from BACE2 (unknown origin) expressed in HEK293 cell membrane assessed as inhibition constant by scintillation counting analysis
50014752	5	ChEMBL_2145464 (CHEMBL5029744)	Inhibition of BACE2 in mouse MIN6 cells expressing TMEM27 assessed as reduction in TMEM27 secretion incubated for 24 hrs by MSD electrochemiluminescence assay
50014752	6	ChEMBL_2145465 (CHEMBL5029745)	Inhibition of BACE1 in human SNKBE2 cells expressing wild type APP695 assessed as reduction in amyloid beta 42 secretion incubated for 18 hrs by sandwich ELISA
50014752	7	ChEMBL_2145466 (CHEMBL5029746)	Inhibition of human cathepsin D incubated for 3.5 hrs by fluorescence assay
50014752	8	ChEMBL_2145470 (CHEMBL5029750)	Reversible inhibition of human CYP1A2
50014752	9	ChEMBL_2145471 (CHEMBL5029751)	Reversible inhibition of human CYP2D6
50014752	10	ChEMBL_2145472 (CHEMBL5029752)	Reversible inhibition of human CYP2C19
50014752	11	ChEMBL_2145486 (CHEMBL5029766)	Inhibition of human ERG
50014752	12	ChEMBL_2145487 (CHEMBL5029767)	Inhibition of human ERG expressed in CHO cells by patch-clamp assay
50014752	13	ChEMBL_2145506 (CHEMBL5029786)	Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor after 60 mins by scintillation counting analysis
50014752	14	ChEMBL_2145507 (CHEMBL5029787)	Displacement of [3H]-AF-DX 384 from human recombinant muscarinic 2 receptor after 60 mins by scintillation counting analysis
50014752	15	ChEMBL_2145508 (CHEMBL5029788)	Displacement of [3H]-pirenzepine from human recombinant muscarinic 1 receptor after 60 mins by scintillation counting analysis
50014752	16	ChEMBL_2145509 (CHEMBL5029789)	Displacement of [125I]NKA from human recombinant NK2 receptor after 60 mins by scintillation counting analysis
50014752	17	ChEMBL_2145510 (CHEMBL5029790)	Displacement of [3H]-imipramine from recombinant human 5-HT transporter after 60 mins by scintillation counting analysis
50014753	1	ChEMBL_2145516 (CHEMBL5029796)	Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method
50014753	2	ChEMBL_2145519 (CHEMBL5029799)	Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method
50014754	1	ChEMBL_2145528 (CHEMBL5029808)	Inhibition of c-MYC (unknown origin)
50014754	2	ChEMBL_2145529 (CHEMBL5029809)	Inhibition of BRD4 (unknown origin)
50014757	1	ChEMBL_2145644 (CHEMBL5029924)	Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence of ATP by IMAP-FP assay
50014757	2	ChEMBL_2145645 (CHEMBL5029925)	Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence of ATP by IMAP-FP assay
50014757	3	ChEMBL_2145646 (CHEMBL5029926)	Inhibition of EGF-induced phosphorylation of EGFR T790M/L858R double mutant in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measured after 10 mins by ELISA
50014757	4	ChEMBL_2145647 (CHEMBL5029927)	Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H1975 cells preincubated for 120 mins followed by EGF stimulation and measured after 10 mins by ELISA
50014757	5	ChEMBL_2145651 (CHEMBL5029931)	Inhibition of EGF-induced phosphorylation of wild type EGFR in human LoVo cells preincubated for 2 hrs followed by EGF stimulation and measured after 10 mins by ELISA
50014757	6	ChEMBL_2145652 (CHEMBL5029932)	Inhibition of EGF-induced phosphorylation of wild type EGFR in human A-431 cells preincubated for 2 hrs followed by EGF stimulation and measured after 10 mins by ELISA
50014757	7	ChEMBL_2145653 (CHEMBL5029933)	Inhibition of EGF-induced phosphorylation of wild type EGFR in human NCI-H2073 cells preincubated for 2 hrs followed by EGF stimulation and measured after 10 mins by ELISA
50014760	1	ChEMBL_2145685 (CHEMBL5029965)	Inhibition of human recombinant flag-tagged c-Src protein (86 to 536 residues) catalytic activity expressed in Escherichia coli BL21 (DE3) cells using biotinylated TK-substrate peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by HTRF assay
50014760	2	ChEMBL_2145686 (CHEMBL5029966)	Inhibition of human recombinant His-tagged c-Src protein (86 to 536 residues) autophosphorylation at Y419 residue expressed in Escherichia coli BL21 (DE3) preincubated for 1 hr followed by ATP addition and measured after 30 mins by ALPHA assay
50014762	1	ChEMBL_2145703 (CHEMBL5029983)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by MST assay
50014762	2	ChEMBL_2145704 (CHEMBL5029984)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by qPCR assay
50014762	3	ChEMBL_2145705 (CHEMBL5029985)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by ITC analysis
50014762	4	ChEMBL_2145707 (CHEMBL5029987)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by MST assay
50014762	5	ChEMBL_2145708 (CHEMBL5029988)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by qPCR assay
50014762	6	ChEMBL_2145709 (CHEMBL5029989)	Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by ITC analysis
50014763	1	ChEMBL_2145726 (CHEMBL5030006)	Positive allosteric modulation of human muscarinic acetylcholine M4/Gqi5 receptor expressed in CHO cells in presence of acetylcholine at EC20 concentration by calcium mobilization assay
50014764	1	ChEMBL_2145759 (CHEMBL5030039)	Inhibition of CYP3A4 (unknown origin)
50014764	2	ChEMBL_2145760 (CHEMBL5030040)	Inhibition of CYP2C9 (unknown origin)
50014764	3	ChEMBL_2145761 (CHEMBL5030041)	Inhibition of CYP2D6 (unknown origin)
50014764	4	ChEMBL_2145762 (CHEMBL5030042)	Inhibition of CYP2C8 (unknown origin)
50014764	5	ChEMBL_2145763 (CHEMBL5030043)	Activation of CYP3A4 (unknown origin)
50014764	6	ChEMBL_2145772 (CHEMBL5030052)	Inhibition of human ERG
50014764	7	ChEMBL_2145773 (CHEMBL5030053)	Binding affinity to recombinant human GST-tagged HDM2
50014764	8	ChEMBL_2145774 (CHEMBL5030054)	Binding affinity to HDM2 (unknown origin)
50014764	9	ChEMBL_2145775 (CHEMBL5030055)	Binding affinity to recombinant human His6-tagged HDM2 (1 to 118 residues) assessed as reduction in PMDM6-F binding incubated for 15 to 30 mins by fluorescence polarization assay
50014766	1	ChEMBL_2145778 (CHEMBL5030058)	Displacement of labeled peptide from human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as dissociation constant by fluorescence anisotropy assay
50014766	2	ChEMBL_2145779 (CHEMBL5030059)	Binding affinity to human His-tagged SHP2 N-SH2 domain (2 to 111 residues) expressed in Escherichia coli (DE3) Rosetta2 competent cells assessed as dissociation constant by fluorescence anisotropy assay
50014768	1	ChEMBL_2145811 (CHEMBL5030091)	Inhibition of CDK8 in human HEK293 cells measured by NanoBRET assay
50014769	1	ChEMBL_2145825 (CHEMBL5030105)	Inhibition of human recombinant full length FAK incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method
50014771	1	ChEMBL_2145890 (CHEMBL5030170)	Inhibition of human SQOR
50014772	1	ChEMBL_2145911 (CHEMBL5030191)	Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes measured after 1 hr by scintillation counting method
50014772	2	ChEMBL_2145912 (CHEMBL5030192)	Displacement of [3H]DPDPE from DOR in Wistar rat brain membranes measured after 3 hrs by scintillation counting method
50014772	3	ChEMBL_2145913 (CHEMBL5030193)	Displacement of [3H]-U69593 from KOR in Wistar rat brain membranes measured after 1 hr by scintillation counting method
50014772	4	ChEMBL_2145918 (CHEMBL5030198)	Agonist activity at mu-opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 15 mins by ELISA
50014773	1	ChEMBL_2145977 (CHEMBL5030257)	Inhibition of recombinant human ACE2 using MCA-Tyr-Val-Ala-Asp-Ala-Pro-Lys(DNP)-OH as substrate preincubated for 15 mins followed by substrate addition and measured upto 15 mins by fluorescence assay
50014773	2	ChEMBL_2145981 (CHEMBL5030261)	Inhibition of recombinant SARS-COV2 His-tagged S-RBD binding to recombinant human ACE2 expressed in HEK293T cells incubated for 0.5 hrs by alpha screen assay
50014773	3	ChEMBL_2145984 (CHEMBL5030264)	Inhibition of SARS-COV2 ACE2 binding to spike glycoprotein S RBD domain preincubated for 31 mins with RBD followed by protein addition measured after 2.5 hrs by ELISA
50014774	1	ChEMBL_2146090 (CHEMBL5030370)	Inhibition of recombinant human TNKS2 (873 to 1162 residues) incubated for 20 hrs in presence of NAD
50014774	2	ChEMBL_2146101 (CHEMBL5030381)	Inhibition of recombinant human TNKS1 (1030 to 1317 residues) incubated for 20 hrs in presence of NAD
50014774	3	ChEMBL_2146111 (CHEMBL5030391)	Inhibition of PARP1 (unknown origin) incubated for 30 mins in presence of NAD
50014774	4	ChEMBL_2146112 (CHEMBL5030392)	Inhibition of PARP2 (unknown origin) incubated for 30 mins in presence of NAD
50014774	5	ChEMBL_2146113 (CHEMBL5030393)	Inhibition of PARP3 (unknown origin) incubated for 4 hrs in presence of NAD
50014774	6	ChEMBL_2146114 (CHEMBL5030394)	Inhibition of PARP4 (unknown origin)
50014774	7	ChEMBL_2146115 (CHEMBL5030395)	Inhibition of PARP10 (unknown origin)
50014774	8	ChEMBL_2146116 (CHEMBL5030396)	Inhibition of PARP12 (unknown origin)
50014774	9	ChEMBL_2146117 (CHEMBL5030397)	Inhibition of PARP14 (unknown origin)
50014774	10	ChEMBL_2146118 (CHEMBL5030398)	Inhibition of PARP15 (unknown origin)
50014774	11	ChEMBL_2146119 (CHEMBL5030399)	Inhibition of human ERG
50014774	12	ChEMBL_2146122 (CHEMBL5030402)	Inhibition of CYP3A4 (unknown origin) by LC-MS/MS analysis
50014776	1	ChEMBL_2146126 (CHEMBL5030406)	Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay
50014777	1	ChEMBL_2146127 (CHEMBL5030407)	Inhibition of PTPN2 (unknown origin) by Mobility shift assay
50014777	2	ChEMBL_2146128 (CHEMBL5030408)	Inhibition of PTPN1 (unknown origin) by Mobility shift assay
50014778	1	ChEMBL_2146131 (CHEMBL5030411)	Inhibition of recombinant human LRRK2 using LRRKtide peptide and ATP as substrates incubated for 1 hrs by ADP-glo luminescent assay
50014779	1	ChEMBL_2146133 (CHEMBL5030413)	Displacement of [3H]-PGE2 from human EP3 receptor assessed as inhibition constant incubated for 2 hrs by TopCount scintillation counting method
50014779	2	ChEMBL_2146134 (CHEMBL5030414)	Antagonist activity at human EP3 receptor expressed in CHO-K1 cells assessed as reduction in sulprostone induced inhibition of forskolin stimulated cAMP production incubated for 30 mins by TR-FRET assay
50014779	3	ChEMBL_2146135 (CHEMBL5030415)	Binding affinity to human EP1 receptor assessed as inhibition constant
50014779	4	ChEMBL_2146136 (CHEMBL5030416)	Binding affinity to human EP2 receptor assessed as inhibition constant
50014779	5	ChEMBL_2146137 (CHEMBL5030417)	Binding affinity to human EP4 receptor assessed as inhibition constant
50014779	6	ChEMBL_2146138 (CHEMBL5030418)	Binding affinity to rat EP3 receptor assessed as inhibition constant
50014781	1	ChEMBL_2146153 (CHEMBL5030433)	Inhibition of human full length recombinant HPK1 using 5FAM-AKRRRLSSLRACOOH as substrate preincubated for 20 mins and measured for 60 mins by microfluidic mobility shift assay
50014782	1	ChEMBL_2146191 (CHEMBL5030471)	Binding affinity to human RXRalpha-LBD expressed in African green monkey COS-1 cells assessed as dissociated constant incubated for 2 hrs by tryptophan fluorescence quenching assay
50014782	2	ChEMBL_2146192 (CHEMBL5030472)	Displacement of NEt-C343 from human RXRalpha-LBD expressed in African green monkey COS-1 cells assessed as inhibition constant incubated for 2 hrs by competitive binding assay
50014784	1	ChEMBL_2146388 (CHEMBL5030734)	Agonist activity at full length NURR1 (unknown origin) expressed in mouse MND9 cells by luciferase reporter gene assay
50014784	2	ChEMBL_2146389 (CHEMBL5030735)	Binding affinity to Nur77 LBD (unknown origin) expressed in Escherichia coli incubated for 3 hrs by circular dichroism analysis
50014786	1	ChEMBL_2146456 (CHEMBL5030802)	Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using biotinylated H4(1 to 24) peptide as substrate preincubated for 20 mins in presence of [3H]SAM followed by substrate addition by scintillation proximity assay
50014786	2	ChEMBL_2146478 (CHEMBL5030824)	Inhibition of FLAG-tagged PRMT6 (unknown origin) expressed in HEK293T assessed as reduction in H3R2me2a level measured after 20 hrs by SDS gel electrophoresis
50014786	3	ChEMBL_2146479 (CHEMBL5030825)	Inhibition of FLAG-tagged PRMT6 (unknown origin) expressed in HEK293T assessed as reduction in H4R3me2a level measured after 20 hrs by SDS gel electrophoresis
50014786	4	ChEMBL_2146488 (CHEMBL5030834)	Inhibition of PRMT1 (unknown origin) by scintillation proximity assay
50014786	5	ChEMBL_2146489 (CHEMBL5030835)	Inhibition of PRMT3 (unknown origin) by scintillation proximity assay
50014786	6	ChEMBL_2146490 (CHEMBL5030836)	Inhibition of PRMT4 (unknown origin) by scintillation proximity assay
50014786	7	ChEMBL_2146491 (CHEMBL5030837)	Inhibition of PRMT6 (unknown origin) by scintillation proximity assay
50014786	8	ChEMBL_2146492 (CHEMBL5030838)	Inhibition of PRMT8 (unknown origin) by scintillation proximity assay
50014786	9	ChEMBL_2146493 (CHEMBL5030839)	Inhibition of PRMT4 (unknown origin)
50014786	10	ChEMBL_2146494 (CHEMBL5030840)	Inhibition of PRMT6 (unknown origin)
50014789	1	ChEMBL_2146495 (CHEMBL5030841)	Inhibition of recombinant human full length HDAC11 expressed in baculovirus infected Sf9 cells measured after 60 mins by FRET assay
50014789	2	ChEMBL_2146498 (CHEMBL5030844)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluorometric substrate measured after 60 mins by FRET assay
50014789	3	ChEMBL_2146499 (CHEMBL5030845)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using fluorometric substrate measured after 60 mins by FRET assay
50014789	4	ChEMBL_2146500 (CHEMBL5030846)	Inhibition of recombinant human full length C-terminal His- tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using fluorometric substrate measured after 60 mins by FRET assay
50014789	5	ChEMBL_2146501 (CHEMBL5030847)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using fluorometric substrate measured after 60 mins by FRET assay
50014789	6	ChEMBL_2146502 (CHEMBL5030848)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	7	ChEMBL_2146503 (CHEMBL5030849)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC5 expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	8	ChEMBL_2146504 (CHEMBL5030850)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	9	ChEMBL_2146505 (CHEMBL5030851)	Inhibition of recombinant human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	10	ChEMBL_2146506 (CHEMBL5030852)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	11	ChEMBL_2146507 (CHEMBL5030853)	Inhibition of recombinant human N-terminal FLAG tagged HDAC10 (2 to 631 residues) expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 60 mins by FRET assay
50014789	12	ChEMBL_2146511 (CHEMBL5030857)	Inhibition of recombinant HDAC in human HeLa nuclear extracts using fluorogenic substrate measured after 60 mins by FRET assay
50014790	1	ChEMBL_2146523 (CHEMBL5030869)	Allosteric inhibition of PRMT6 (unknown origin)
50014797	1	ChEMBL_2146543 (CHEMBL5030889)	Inhibition of recombinant full length N-terminal His-tagged human LDHA expressed in Escherichia coli using pyruvate as substrate and NADH as cofactor incubated for 2 hrs by fluorescence assay
50014799	1	ChEMBL_2146550 (CHEMBL5030896)	Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay
50014799	2	ChEMBL_2146551 (CHEMBL5030897)	Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay
50014800	1	ChEMBL_2146714 (CHEMBL5031060)	Inhibition of PTP1B (unknown origin)
50014803	1	ChEMBL_2146861 (CHEMBL5031207)	Antagonist activity at human CCR5 receptor expressed in HEK293 cells co-expressing Galpha15 assessed as inhibition of RNATES-induced intracellular calcium flux measured after 10 mins by FLIPR calcium mobilization assay
50014804	1	ChEMBL_2146872 (CHEMBL5031218)	Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by competitive fluorescence polarization assay
50014804	2	ChEMBL_2146876 (CHEMBL5031222)	Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by competitive fluorescence polarization assay
50014805	1	ChEMBL_2146904 (CHEMBL5031250)	Displacement of [3H]-PDBu from recombinant human PKCalpha by scintillation counter method
50014805	2	ChEMBL_2146905 (CHEMBL5031251)	Displacement of [3H]-PDBu from recombinant human PKCepsilon by scintillation counter method
50014805	3	ChEMBL_2146906 (CHEMBL5031252)	Displacement of [3H]-PDBu from recombinant human PKCalpha at 30 uM by scintillation counter method relative to control
50014806	1	ChEMBL_2146929 (CHEMBL5031275)	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay
50014806	2	ChEMBL_2146930 (CHEMBL5031276)	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay
50014806	3	ChEMBL_2146934 (CHEMBL5031280)	Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay
50014806	4	ChEMBL_2146935 (CHEMBL5031281)	Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay
50014806	5	ChEMBL_2146936 (CHEMBL5031282)	Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay
50014806	6	ChEMBL_2146937 (CHEMBL5031283)	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay
50014806	7	ChEMBL_2146938 (CHEMBL5031284)	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay
50014806	8	ChEMBL_2146939 (CHEMBL5031285)	Inhibition of telomerase in human HCT-116 cells by TRAP assay
50014806	9	ChEMBL_2146940 (CHEMBL5031286)	Inhibition of telomerase in human COLO 205 cells by TRAP assay
50014806	10	ChEMBL_2146941 (CHEMBL5031287)	Inhibition of telomerase in human HT-29 cells by TRAP assay
50014806	11	ChEMBL_2146942 (CHEMBL5031288)	Inhibition of telomerase in human SW-620 cells by TRAP assay
50014808	1	ChEMBL_2146988 (CHEMBL5031334)	Binding affinity to EGFR (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50014808	2	ChEMBL_2146989 (CHEMBL5031335)	Inhibition of EGR-induced EGFR phosphorylation in human A549 cells pretreated for 4 hr followed by EGF stimulation by Western blot analysis
50014809	1	ChEMBL_2147038 (CHEMBL5031384)	Agonist activity at human GPR17 in human LN-229 cells assessed as decrease in intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assay
50014809	2	ChEMBL_2147039 (CHEMBL5031385)	Agonist activity at human GPR17 in human SNB-19 cells assessed as decrease in intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assay
50014809	3	ChEMBL_2147040 (CHEMBL5031386)	Inverse agonist at human GPR17 in human LN-229 cells assessed as intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assay
50014809	4	ChEMBL_2147041 (CHEMBL5031387)	Inverse agonist at human GPR17 in human SNB-19 cells assessed as intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assay
50014809	5	ChEMBL_2147043 (CHEMBL5031389)	Agonist activity at human GPR17 in human LN-229 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assay
50014809	6	ChEMBL_2147045 (CHEMBL5031391)	Agonist activity at human GPR17 in human SNB-19 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assay
50014810	1	ChEMBL_2147056 (CHEMBL5031402)	Inhibition of recombinant human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate
50014810	2	ChEMBL_2147057 (CHEMBL5031403)	Inhibition of recombinant human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate
50014810	3	ChEMBL_2147058 (CHEMBL5031404)	Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate
50014811	1	ChEMBL_2147064 (CHEMBL5031410)	Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 10 min in presence of NAD+ followed by addition of substrate and further incubated for 10 mins
50014811	2	ChEMBL_2147065 (CHEMBL5031411)	Inhibition of C-terminal His-tagged human MTHFD1 (1 to 306 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for 10 min in presence of NAD+ followed by addition of substrate and further incubated for 10 mins
50014814	1	ChEMBL_2147096 (CHEMBL5031442)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 to 20 mins by Ellman's method
50014814	2	ChEMBL_2147097 (CHEMBL5031443)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate incubated for 15 to 20 mins by Ellman's method
50014815	1	ChEMBL_2147108 (CHEMBL5031454)	Binding affinity to NTA sensor chip immobilized recombinant human TLR4/MD2 assessed as dissociation constant by surface plasmon resonance analysis
50014818	1	ChEMBL_2147192 (CHEMBL5031538)	Binding affinity of ERalpha LBD (unknown origin) incubated for 2 hrs by LanthaScreen TR-FRET assay
50014820	1	ChEMBL_2147299 (CHEMBL5031645)	Inhibition of exogenous EGFR (unknown origin)
50014820	2	ChEMBL_2147302 (CHEMBL5031648)	Inhibition of ALDH1A1 in human drug-tolerant MDA-MB-231/lapatinib cells assessed as after 24 hrs
50014821	1	ChEMBL_2147327 (CHEMBL5031673)	Displacement of [3H]R-PIA from recombinant human A1 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50014821	2	ChEMBL_2147328 (CHEMBL5031674)	Displacement of [3H]CGS21680 from recombinant human A2A adenosine receptor expressed in HEK293 cells incubated for 60 mins by liquid scintillation counting method
50014821	3	ChEMBL_2147329 (CHEMBL5031675)	Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by gamma counter method
50014821	4	ChEMBL_2147331 (CHEMBL5031677)	Agonist activity at human A3 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin stimulated cAMP formation incubated for 45 mins followed by forskolin stimulation and measured after 15 mins by liquid scintillation spectrometry analysis
50014822	1	ChEMBL_2147333 (CHEMBL5031679)	Inhibition of Btk (unknown origin) assessed as inhibition of phosphorylation of FAM-labelled peptide substrate
50014822	2	ChEMBL_2147334 (CHEMBL5031680)	Inhibition of human Btk in human Raji cells assessed as PhosY223 measured after 30 mins by cellular HTRF assay
50014822	3	ChEMBL_2147357 (CHEMBL5031703)	Inhibition of Lck (unknown origin)
50014822	4	ChEMBL_2147383 (CHEMBL5031729)	Inhibition of Src (unknown origin)
50014822	5	ChEMBL_2147384 (CHEMBL5031730)	Inhibition of human Jak3
50014822	6	ChEMBL_2147385 (CHEMBL5031731)	Inhibition of human Blk
50014822	7	ChEMBL_2147386 (CHEMBL5031732)	Inhibition of human BMX
50014822	8	ChEMBL_2147387 (CHEMBL5031733)	Inhibition of human TXK
50014822	9	ChEMBL_2147388 (CHEMBL5031734)	Inhibition of human EGFR
50014822	10	ChEMBL_2147389 (CHEMBL5031735)	Inhibition of human ITK
50014822	11	ChEMBL_2147390 (CHEMBL5031736)	Inhibition of human HER4
50014823	1	ChEMBL_2147395 (CHEMBL5031741)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method
50014824	1	ChEMBL_2147415 (CHEMBL5031761)	Inhibition of Wild type EGFR (unknown origin)
50014824	2	ChEMBL_2147417 (CHEMBL5031763)	Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by ELISA
50014825	1	ChEMBL_2147437 (CHEMBL5031783)	Agonist activity at human MOR expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by Glo-sensor cAMP assay
50014825	2	ChEMBL_2147439 (CHEMBL5031785)	Agonist activity at human MOR receptor expressed in HTLA cells co-expressing TEV-fused-beta-arrestin2 assessed as induction of beta-arrestin2 recruitment by Tango assay
50014825	3	ChEMBL_2147443 (CHEMBL5031789)	Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells at 10 uM
50014826	1	ChEMBL_2147494 (CHEMBL5031840)	Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50014827	1	ChEMBL_2147507 (CHEMBL5031853)	Inhibition of BACE1 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay
50014827	2	ChEMBL_2147508 (CHEMBL5031854)	Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay
50014827	3	ChEMBL_2147510 (CHEMBL5031856)	Inhibition of BACE1 in human SKNBE2 cells expressing wildtype APP assessed as reduction in amyloid beta 42 level incubated for 18 hrs by sandwich AlphaLISA assay
50014827	4	ChEMBL_2147515 (CHEMBL5031861)	Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillation counting analysis
50014827	5	ChEMBL_2147516 (CHEMBL5031862)	Displacement of [3H] JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillation counting analysis
50014827	6	ChEMBL_2147522 (CHEMBL5031868)	Inhibition of BACE1 (unknown origin) by biochemical homogeneous time-resolved fluorescence based assay
50014827	7	ChEMBL_2147524 (CHEMBL5031870)	Binding affinity to BACE1 (unknown origin)
50014827	8	ChEMBL_2147525 (CHEMBL5031871)	Binding affinity to BACE2 (unknown origin)
50014827	9	ChEMBL_2147532 (CHEMBL5031878)	Inhibition of BACE1 in human SKNBE2 cells expressing wildtype APP assessed as reduction in amyloid beta 42 level
50014829	1	ChEMBL_2147575 (CHEMBL5031921)	Antagonist activity at P2X3 receptor (unknown origin)
50014829	2	ChEMBL_2147579 (CHEMBL5031925)	Antagonist activity at rat P2X3 receptor
50014829	3	ChEMBL_2147580 (CHEMBL5031926)	Antagonist activity at P2X1 receptor (unknown origin)
50014829	4	ChEMBL_2147581 (CHEMBL5031927)	Antagonist activity at P2X2 receptor (unknown origin)
50014829	5	ChEMBL_2147582 (CHEMBL5031928)	Antagonist activity at P2X4 receptor (unknown origin)
50014829	6	ChEMBL_2147583 (CHEMBL5031929)	Antagonist activity at P2X7 receptor (unknown origin)
50014829	7	ChEMBL_2147586 (CHEMBL5031932)	Inhibition of CYP1A2 (unknown origin)
50014829	8	ChEMBL_2147587 (CHEMBL5031933)	Inhibition of CYP2C9 (unknown origin)
50014829	9	ChEMBL_2147588 (CHEMBL5031934)	Inhibition of CYP2C19 (unknown origin)
50014829	10	ChEMBL_2147589 (CHEMBL5031935)	Inhibition of CYP2D6 (unknown origin)
50014829	11	ChEMBL_2147590 (CHEMBL5031936)	Inhibition of CYP3A4 (unknown origin)
50014830	1	ChEMBL_2147641 (CHEMBL5031987)	Antagonist activity at recombinant human TRPM8 transfected in HEK293 cells assessed as assessed as inhibition of icilin-induced intracellular calcium flux
50014835	1	ChEMBL_2147676 (CHEMBL5032022)	Binding affinity to SARS-CoV-2 spike protein receptor-binding domain by biolayer interferometry (BLI) assay
50014837	1	ChEMBL_2147682 (CHEMBL5032028)	Inhibition of wild type TRKC (unknown origin)
50014837	2	ChEMBL_2147683 (CHEMBL5032029)	Inhibition of wild type TRKA (unknown origin)
50014837	3	ChEMBL_2147684 (CHEMBL5032030)	Inhibition of wild type TRKB (unknown origin)
50014837	4	ChEMBL_2147685 (CHEMBL5032031)	Inhibition of ALK (unknown origin) by radiometric assay
50014837	5	ChEMBL_2147686 (CHEMBL5032032)	Inhibition of TRKC (unknown origin) by radiometric assay
50014837	6	ChEMBL_2147687 (CHEMBL5032033)	Inhibition of ROS1 (unknown origin) by radiometric assay
50014837	7	ChEMBL_2147688 (CHEMBL5032034)	Inhibition of TRKA (unknown origin) by radiometric assay
50014837	8	ChEMBL_2147689 (CHEMBL5032035)	Inhibition of TRKB (unknown origin) by radiometric assay
50014837	9	ChEMBL_2147692 (CHEMBL5032038)	Inhibition of TRKA G595R mutant (unknown origin)
50014838	1	ChEMBL_2147703 (CHEMBL5032049)	Binding affinity to castor beans ricin toxin A subunit assessed as dissociation constant
50014838	2	ChEMBL_2147704 (CHEMBL5032050)	Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using liver ribosomes by qRT-PCR analysis
50014838	3	ChEMBL_2147706 (CHEMBL5032052)	Binding affinity to castor beans ricin toxin A subunit assessed as dissociation constant by surface plasmon resonance analysis
50014838	4	ChEMBL_2147708 (CHEMBL5032054)	Inhibition of castor beans ricin toxin A subunit assessed as depurination of ribosome using yeast ribosomes by qRT-PCR analysis
50014840	1	ChEMBL_2147833 (CHEMBL5032179)	Inhibition of human ERG by patch clamp assay
50014842	1	ChEMBL_2147909 (CHEMBL5032255)	Inhibition of ATX lysoPLD (unknown origin) using 18:1 LPC as substrate assessed as reduction in choline release by HVA fluorescence based analysis
50014843	1	ChEMBL_2147924 (CHEMBL5032270)	Inhibition of recombinant human CA1 using 4-nitrophenylacetate as substrate by esterase assay
50014843	2	ChEMBL_2147925 (CHEMBL5032271)	Inhibition of recombinant human CA2 using 4-nitrophenylacetate as substrate by esterase assay
50014843	3	ChEMBL_2147926 (CHEMBL5032272)	Inhibition of recombinant human CA9 using 4-nitrophenylacetate as substrate by esterase assay
50014844	1	ChEMBL_2147957 (CHEMBL5032303)	Inhibition of HDAC8 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	2	ChEMBL_2147958 (CHEMBL5032304)	Inhibition of HDAC11 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	3	ChEMBL_2147959 (CHEMBL5032305)	Inhibition of HDAC10 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	4	ChEMBL_2147960 (CHEMBL5032306)	Inhibition of HDAC9 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	5	ChEMBL_2147961 (CHEMBL5032307)	Inhibition of HDAC7 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	6	ChEMBL_2147962 (CHEMBL5032308)	Inhibition of HDAC4 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	7	ChEMBL_2147963 (CHEMBL5032309)	Inhibition of HDAC3 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	8	ChEMBL_2147964 (CHEMBL5032310)	Inhibition of HDAC2 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	9	ChEMBL_2147965 (CHEMBL5032311)	Displacement of [3H]DPCPX from human adenosine A3 receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysis
50014844	10	ChEMBL_2147966 (CHEMBL5032312)	Inhibition of HDAC5 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	11	ChEMBL_2147967 (CHEMBL5032313)	Displacement of [3H]DPCPX from human adenosine A2B receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysis
50014844	12	ChEMBL_2147968 (CHEMBL5032314)	Displacement of [3H]DPCPX from human adenosine A1 receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysis
50014844	13	ChEMBL_2148004 (CHEMBL5032350)	Inhibition of HDAC1 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	14	ChEMBL_2148005 (CHEMBL5032351)	Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader
50014844	15	ChEMBL_2148006 (CHEMBL5032352)	Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysis
50014845	1	ChEMBL_2148054 (CHEMBL5032400)	Inhibition of SARS-CoV-2 spike glycoprotein expressed in HEK293T cells transfected with pAAV-CAG-HnCovS-RFP assessed as inhibition of membrane fusion to Huh-7 cells expressing hACE2 measured after 4 hrs by cell-cell fusion based fluorescence assay
50014846	1	ChEMBL_2148056 (CHEMBL5032402)	Inhibition of human FIH using HLEVVKLLLEAGADVNAQDK-CONH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by RapidFire Mass spectrometry assay
50014846	2	ChEMBL_2148060 (CHEMBL5032406)	Inhibition of human N-terminal His6-tagged KDM2A (M1 to P517 residues) expressed in insect cells using H3K36(Me2) as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Alphascreen assay
50014846	3	ChEMBL_2148061 (CHEMBL5032407)	Inhibition of human N-terminal His6-tagged KDM3B (L882 to S1761 residues) expressed in insect cells using H3K9(Me2) as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins by Alphascreen assay
50014846	4	ChEMBL_2148062 (CHEMBL5032408)	Inhibition of human N-terminal His6-tagged KDM4A (M1 to L359 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by Alphascreen assay
50014846	5	ChEMBL_2148063 (CHEMBL5032409)	Inhibition of human N-terminal His6-tagged KDM4D (M1 to G373 residues) expressed in Escherichia coli using H3K9(Me3) as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by Alphascreen assay
50014846	6	ChEMBL_2148064 (CHEMBL5032410)	Inhibition of human N-terminal His6-tagged KDM5B (L882 to S1761 residues) expressed in insect cells using H3K4(Me3) as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by Alphascreen assay
50014846	7	ChEMBL_2148065 (CHEMBL5032411)	Inhibition of human KDM6B (D1141 to R1641 residues) expressed in Escherichia coli using H3K27(Me3) as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by Alphascreen assay
50014847	1	ChEMBL_2148101 (CHEMBL5032447)	Inhibition of recombinant thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition by chromogenic assay
50014847	2	ChEMBL_2148119 (CHEMBL5032465)	Inhibition of recombinant human HGFA serine protease domain using Boc-QLR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50014847	3	ChEMBL_2148120 (CHEMBL5032466)	Inhibition of recombinant human N-terminal met-His6-tagged matriptase catalytic domain (Gly596 to Val855 residues) expressed in Escherichia coli using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50014847	4	ChEMBL_2148121 (CHEMBL5032467)	Inhibition of recombinant human C-terminal 10-His tagged hepsin (Arg45 to Leu417) expressed in mouse myeloma cells using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50014847	5	ChEMBL_2148122 (CHEMBL5032468)	Inhibition of recombinant C-terminal 10His-tagged human coagulation factor 10a (Leu24 to Lys488 residues) expressed in baculovirus infected Sf9 insect cells using Bz-Ile-Glu-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition by chromogenic assay
50014850	1	ChEMBL_2148141 (CHEMBL5032487)	Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 10 mins by fluorometry analysis
50014852	1	ChEMBL_2148142 (CHEMBL5032488)	Inhibition of human coagulation factor 11 assessed as inhibition of factor 12a mediated activation using z-GPR-AFC measured after 60 mins by fluorescence assay
50014853	1	ChEMBL_2148143 (CHEMBL5032541)	Binding affinity to AT1R (unknown origin) expressed in Escherichia coli strain BL 21 (DE3) incubated for 20 mins by SDS PAGE analysis
50014853	2	ChEMBL_2148144 (CHEMBL5032542)	Displacement of [125-I]-[Sar1, AngII from AT1R (unknown origin) expressed in Escherichia coli BL 21 (DE3) incubated for 2 hrs by radioimmunoassay
50014855	1	ChEMBL_2148172 (CHEMBL5032570)	Negative allosteric modulation activity at human GABAA alpha1beta1gamma2 stably expressed in HEK cells by whole cell patch clamp method
50014855	2	ChEMBL_2148173 (CHEMBL5032571)	Negative allosteric modulation activity at human GABAA alpha1beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method
50014855	3	ChEMBL_2148174 (CHEMBL5032572)	Negative allosteric modulation activity at human GABAA alpha2beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method
50014855	4	ChEMBL_2148175 (CHEMBL5032573)	Negative allosteric modulation activity at human GABAA alpha3beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method
50014855	5	ChEMBL_2148176 (CHEMBL5032574)	Negative allosteric modulation activity at human GABAA alpha4beta3gamma2 stably expressed in HEK cells by patch clamp method
50014855	6	ChEMBL_2148177 (CHEMBL5032575)	Negative allosteric modulation activity at human GABAA alpha5beta3gamma2 stably expressed in HEK cells by patch clamp method
50014861	1	ChEMBL_2148314 (CHEMBL5032712)	Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of calcium mobilization by Fluo-4 AM dye based analysis
50014861	2	ChEMBL_2148316 (CHEMBL5032714)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of calcium mobilization by Fluo-4 AM dye based analysis
50014861	3	ChEMBL_2148320 (CHEMBL5032718)	Agonist activity at human NOP receptor expressed in CHO cells assessed as dynamic mass redistribution by DMR assay
50014861	4	ChEMBL_2148322 (CHEMBL5032720)	Agonist activity at human mu opioid receptor expressed in CHO cells assessed as dynamic mass redistribution by DMR assay
50014861	5	ChEMBL_2148324 (CHEMBL5032722)	Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of calcium mobilization by Fluo-4 AM dye based analysis
50014864	1	ChEMBL_2148327 (CHEMBL5032725)	Inhibition of mouse AChE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50014864	2	ChEMBL_2148329 (CHEMBL5032727)	Inhibition of human recombinant GSK-3beta using prephosphorylated polypeptide as substrate incubated for 30 mins in presence of ATP by Kinase-Glo luminescence assay
50014865	1	ChEMBL_2148368 (CHEMBL5032766)	Displacement of Fluormone ES2 from full length human ERalpha incubated for 60 min by fluorescent polarization assay
50014865	2	ChEMBL_2148369 (CHEMBL5032767)	Induction of degradation of ERalpha in human MCF7 cells incubated for 4 hrs in presence of anti-ERalpha rabbit monoclonal antibodies measured after 4 hrs by immunofluorescent staining based assay
50014865	3	ChEMBL_2148402 (CHEMBL5032800)	Inhibition of CYP2C19 (unknown origin)
50014865	4	ChEMBL_2148403 (CHEMBL5032801)	Inhibition of CYP1A2 (unknown origin)
50014865	5	ChEMBL_2148404 (CHEMBL5032802)	Inhibition of CYP2B6 (unknown origin)
50014865	6	ChEMBL_2148405 (CHEMBL5032803)	Inhibition of CYP2C8 (unknown origin)
50014865	7	ChEMBL_2148406 (CHEMBL5032804)	Inhibition of CYP2C9 (unknown origin)
50014865	8	ChEMBL_2148407 (CHEMBL5032805)	Inhibition of CYP2D6 (unknown origin)
50014865	9	ChEMBL_2148408 (CHEMBL5032806)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50014865	10	ChEMBL_2148409 (CHEMBL5032807)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50014865	11	ChEMBL_2148410 (CHEMBL5032808)	Inhibition of human ERG by patch-clamp method
50014866	1	ChEMBL_2148422 (CHEMBL5032820)	Inhibition of RPE65 in bovine retinal pigment epithelium microsomes assessed as decrease of 11-cis-retinol using trans-retinol measured after 1 hr by normal phase HPLC analysis
50014869	1	ChEMBL_2148501 (CHEMBL5032899)	Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	2	ChEMBL_2148502 (CHEMBL5032900)	Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	3	ChEMBL_2148503 (CHEMBL5032901)	Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	4	ChEMBL_2148504 (CHEMBL5032902)	Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	5	ChEMBL_2148505 (CHEMBL5032903)	Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins
50014869	6	ChEMBL_2148510 (CHEMBL5032908)	Binding affinity to human recombinant adenosine A1 receptor expressed in CHO cells using [3H]CCPA by functional activity assay
50014869	7	ChEMBL_2148511 (CHEMBL5032909)	Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cells using [3H]PSB-603 by functional activity assay
50014869	8	ChEMBL_2148513 (CHEMBL5032911)	Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	9	ChEMBL_2148514 (CHEMBL5032912)	Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in sf9 cells by liquid scintillation counting analysis
50014869	10	ChEMBL_2148516 (CHEMBL5032914)	Displacement of [3H]SCH23390 from human recombinant dopamine D5 receptor expressed in HEK293 cells by liquid scintillation counting analysis
50014869	11	ChEMBL_2148517 (CHEMBL5032915)	Displacement of [3H]spiperone from human recombinant dopamine D2S receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	12	ChEMBL_2148518 (CHEMBL5032916)	Displacement of [3H]spiperone from human recombinant dopamine D3 receptor expressed in CHO cells by liquid scintillation counting analysis
50014869	13	ChEMBL_2148520 (CHEMBL5032918)	Inhibition of human recombinant MAO-B using kynuramine as substrate measured for 30 mins by spectrophotometric analysis
50014870	1	ChEMBL_2148560 (CHEMBL5032958)	Inhibition of human PD-1/PD-L1 interaction assessed as blockade activity incubated for 15 mins by HTRF assay
50014870	2	ChEMBL_2148562 (CHEMBL5032960)	Binding affinity to human PD-L1 assessed as dissociation constant by surface plasmon resonance analysis
50014870	3	ChEMBL_2148569 (CHEMBL5032967)	Inhibition of human PD-1/PD-L1 interaction in human Jurkat cells expressing PD-1/NFAT/Luc cocultured with CHO-K1 cells expressing PD-L1/aAPC assessed as Jurkat T-lymphocyte activation measured after 6 hrs by luciferase reporter gene based luminescence assay
50014870	4	ChEMBL_2148599 (CHEMBL5032997)	Inhibition of human ERG
50014871	1	ChEMBL_2148634 (CHEMBL5033032)	Agonist activity at in human TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP 16 assessed as increase in reporter activity measured after 14 hrs by luciferase reporter gene assay relative to control
50014871	2	ChEMBL_2148637 (CHEMBL5033035)	Agonist activity at full length TLX activating element expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as decrease in reporter activity at 100 uM by luciferase reporter gene assay relative to control
50014871	3	ChEMBL_2148639 (CHEMBL5033037)	Agonist activity at TAE expressed in human HEK293T cells coexpressing human full-length TLX/Gal4-VP 16 assessed as renilla luciferase reporter activity incubated for 14 hrs by Dual-glo luciferase
50014871	4	ChEMBL_2148640 (CHEMBL5033038)	Binding affinity to TLX LBD expressed in His6-tagged Escherichia coli Rosetta assessed as binding constant measured after 300 sec at 200 mM by isothermal titration calorimetry
50014873	1	ChEMBL_2148655 (CHEMBL5033053)	Inhibition of human FGFR1 (459 to 765 residues) expressed in Escherichia coli BL21 (DE3) by HTRF assay
50014873	2	ChEMBL_2148656 (CHEMBL5033054)	Inhibition of human FGFR2 (458 to 768 residues) expressed in Escherichia coli BL21 (DE3) by HTRF assay
50014873	3	ChEMBL_2148657 (CHEMBL5033055)	Inhibition of human FGFR3 (450 to 758 residues) expressed in Escherichia coli BL21 (DE3) by HTRF assay
50014873	4	ChEMBL_2148658 (CHEMBL5033056)	Inhibition of human FGFR4 (445 to 753 residues) expressed in Escherichia coli BL21 (DE3) by HTRF assay
50014873	5	ChEMBL_2148733 (CHEMBL5033131)	Binding affinity to human ERG
50014874	1	ChEMBL_2148744 (CHEMBL5033142)	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EIA
50014874	2	ChEMBL_2148745 (CHEMBL5033143)	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by EIA
50014876	1	ChEMBL_2148790 (CHEMBL5033188)	Binding affinity to human plasma TTR tetramer assessed as displacement of diclofenac-coupled FITC by fluorescence polarization assay
50014876	2	ChEMBL_2148791 (CHEMBL5033189)	Displacement of [3H]-all trans retinol from human urine biotinylated RBP4 incubated for 16 hrs measured by Scintillation Proximity Assay
50014876	3	ChEMBL_2148792 (CHEMBL5033190)	Agonist activity at PPARgamma (unknown origin) assessed as inhibition by agonist-induced corepressor NCoR release assay
50014876	4	ChEMBL_2148824 (CHEMBL5033222)	Inhibition of human ERG
50014876	5	ChEMBL_2148831 (CHEMBL5033229)	Activity at PPARgamma (unknown origin)
50014880	1	ChEMBL_2148833 (CHEMBL5033231)	Inhibition of human BChE using butyrylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method
50014880	2	ChEMBL_2148834 (CHEMBL5033232)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method
50014880	3	ChEMBL_2148860 (CHEMBL5033258)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate incubated for 30 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
50014880	4	ChEMBL_2148861 (CHEMBL5033259)	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 30 mins followed by substrate addition and measured after 2.5 mins by Ellman's method
50014882	1	ChEMBL_2148869 (CHEMBL5033267)	Inhibition of recombinant human FHIT incubated for 1hr in presence of tokyogreen-labeled CMP probe by fluorescence based analysis
50014882	2	ChEMBL_2148874 (CHEMBL5033272)	Inhibition of recombinant human FHIT assessed as reduction in AP3Aase activity measured after 45 mins by HPLC analysis
50014882	3	ChEMBL_2148888 (CHEMBL5033286)	Inhibition of human FHIT expressed in Escherichia coli BL21(DE3)-RIL cells using AP3A as substrate pretreated for 10 mins followed by substrate addition and measured after 1 hr by HPLC analysis
50014883	1	ChEMBL_2148890 (CHEMBL5033288)	Displacement of [3H]-diprenorphine from mouse KOR expressed in HEK293 cell membranes by radioligand binding assay relative to control
50014883	2	ChEMBL_2148893 (CHEMBL5033291)	Agonist activity at mouse KOR expressed in HEK293 cell assessed as inhibition of cAMP concentration incubated for 1 hrs by time-resolved fluorescence resonance energy transfer assay
50014883	3	ChEMBL_2148895 (CHEMBL5033293)	Displacement of [3H]-diprenorphine from mouse MOR expressed in HEK293 cell membranes by radioligand binding assay relative to control
50014883	4	ChEMBL_2148896 (CHEMBL5033294)	Displacement of [3H]-diprenorphine from mouse DOR expressed in HEK293 cell membranes by radioligand binding assay relative to control
50014883	5	ChEMBL_2148897 (CHEMBL5033295)	Agonist activity at EGFP-tagged mouse KOR expressed in HEK293 cells co-expressing beta-arrestin2 nano-luciferase assessed as beta-arrestin2 recruitment for 5 mins by BRET assay
50014885	1	ChEMBL_2148910 (CHEMBL5033308)	Inhibition of MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence based analysis
50014885	2	ChEMBL_2148912 (CHEMBL5033310)	Inhibition of N-terminal his-tagged GCN4 leucine zipper fused human MALT1 (340-281 residues) expressed in Escherichia coli using Ac-LVSR-AMC as substrate by HTS assay
50014885	3	ChEMBL_2148982 (CHEMBL5033380)	Inhibition of GST-tagged human MALT1 (325-760 residues) expressed in Escherichia coli using Ac-LVSR-AMC as substrate by microplate reader based assay
50014885	4	ChEMBL_2148983 (CHEMBL5033381)	Inhibition of MALT1 (329-824 residues) (unknown origin) using PT14 as substrate incubated for 60 mins by fluorescence based assay
50014885	5	ChEMBL_2148984 (CHEMBL5033382)	Inhibition of full length recombinant wild type MALT1 (unknown origin) using Ac-LVSR-AMC as substrate by HTS assay
50014886	1	ChEMBL_2148991 (CHEMBL5033389)	Inhibition of recombinant wild-type HIV1 p66/p51 reverse transcriptase assessed as inhibition of [3H]dGTP incorporation using poly (rA) as templates incubated for 40 mins by spectrofluorometer
50014886	2	ChEMBL_2149008 (CHEMBL5033406)	Inhibition of human CYP1A2 using phenacetin as substrate in presence of NADPH incubated for 15 to 45 mins
50014886	3	ChEMBL_2149009 (CHEMBL5033407)	Inhibition of human CYP2C9 using tolbutamide as substrate in presence of NADPH incubated for 15 to 45 mins
50014886	4	ChEMBL_2149010 (CHEMBL5033408)	Inhibition of human CYP2C19 using S-mephenytoin as substrate in presence of NADPH incubated for 15 to 45 mins
50014886	5	ChEMBL_2149011 (CHEMBL5033409)	Inhibition of human CYP2D6 using dextromethorphan as substrate in presence of NADPH incubated for 15 to 45 mins
50014886	6	ChEMBL_2149012 (CHEMBL5033410)	Inhibition of human CYP3A4 using testosterone as substrate in presence of NADPH incubated for 15 to 45 mins
50014886	7	ChEMBL_2149013 (CHEMBL5033411)	Inhibition of human CYP3A4 using midazolam as substrate in presence of NADPH incubated for 15 to 45 mins
50014889	1	ChEMBL_2149038 (CHEMBL5033436)	Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by dual-Glo luciferase assay
50014889	2	ChEMBL_2149040 (CHEMBL5033438)	Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by dual-Glo luciferase assay
50014889	3	ChEMBL_2149041 (CHEMBL5033439)	Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by dual-Glo luciferase assay
50014890	1	ChEMBL_2149053 (CHEMBL5033451)	Displacement of [3H]-(+)-pentazocine from human sigma-1 receptor transfected in HEK293 membranes incubated for 120 mins measured by microBeta scintillation counter method
50014890	2	ChEMBL_2149054 (CHEMBL5033452)	Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 60 mins measured by MicroBeta scintillation counter method
50014890	3	ChEMBL_2149055 (CHEMBL5033453)	Agonist activity at human MOR expressed in CHO-K1 cells assessed as reduction in forskolin-induced cAMP production incubated for 45 mins by by HTRF assay
50014890	4	ChEMBL_2149057 (CHEMBL5033455)	Inhibition of hERG expressed in CHO cells by whole cell patch clamp assay
50014892	1	ChEMBL_2149103 (CHEMBL5033501)	Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA
50014892	2	ChEMBL_2149104 (CHEMBL5033502)	Inhibition of GST-fused Grb2-SH2 domain (unknown origin) by ELISA
50014892	3	ChEMBL_2149105 (CHEMBL5033503)	Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli by fluorescence anisotropy assay
50014892	4	ChEMBL_2149106 (CHEMBL5033504)	Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human full length GRB2 (1 to 217 residues) expressed in Escherichia coli assessed as inhibition constant by fluorescence anisotropy assay
50014892	5	ChEMBL_2149110 (CHEMBL5033508)	Inhibition of GST-fused human Grb2-SH2 domain expressed in Escherichia coli by plate reader analysis
50014893	1	ChEMBL_2149118 (CHEMBL5033516)	Binding affinity to eGFP-fused human TEAD2 (217 to 447 residues) expressed in CHO-K1 cells by microscale thermophoresis analysis
50014893	2	ChEMBL_2149130 (CHEMBL5033528)	Binding affinity to His-tagged TEAD4 YPD domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50014894	1	ChEMBL_2149161 (CHEMBL5033559)	Inhibition of DC-SIGN extracellular domain (unknown origin) binding to HIV gp120 by surface plasmon resonance analysis
50014894	2	ChEMBL_2149162 (CHEMBL5033560)	Inhibition of full-length DC-SIGN (unknown origin) expressed in human monocyte derived dendritic cells assessed as inhibition of binding to recombinant HCMV gB using flow cytometry
50014894	3	ChEMBL_2149165 (CHEMBL5033563)	Inhibition of DC-SIGN (unknown origin) expressed in human Jurkat cells assessed as inhibition of EBOV-pseudotyped virus infection measured after 48 hrs by luciferase assay
50014895	1	ChEMBL_2149182 (CHEMBL5033580)	Antagonist activity against CXCR2 (unknown origin) by calcium flux assay
50014897	1	ChEMBL_2149187 (CHEMBL5033585)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated 10 mins followed by substrate addition and measured after 2 mins by ELISA
50014897	2	ChEMBL_2149188 (CHEMBL5033586)	Inhibition of human topoisomerase I using DNA pBR322 as substrate assessed as DNA relaxation incubated for 45 mins by ethidium bromide staining based agarose gel electrophoresis
50014900	1	ChEMBL_2149250 (CHEMBL5033648)	Inhibition of CDK5 (unknown origin)
50014900	2	ChEMBL_2149251 (CHEMBL5033649)	Inhibition of CDK9 (unknown origin)
50014900	3	ChEMBL_2149252 (CHEMBL5033650)	Inhibition of PIM1 (unknown origin)
50014900	4	ChEMBL_2149253 (CHEMBL5033651)	Inhibition of CLK1 (unknown origin)
50014900	5	ChEMBL_2149254 (CHEMBL5033652)	Inhibition of DYRK1A (unknown origin)
50014900	6	ChEMBL_2149255 (CHEMBL5033653)	Inhibition of HASPIN (unknown origin)
50014900	7	ChEMBL_2149256 (CHEMBL5033654)	Inhibition of GSK3beta (unknown origin)
50014900	8	ChEMBL_2149257 (CHEMBL5033655)	Inhibition of CK-1 delta/epsilon (unknown origin)
50014901	1	ChEMBL_2149259 (CHEMBL5033657)	Inhibition of recombinant human IDO1
50014901	2	ChEMBL_2149260 (CHEMBL5033658)	Inhibition of IDO1 in human HeLa cells
50014902	1	ChEMBL_2149291 (CHEMBL5033689)	Inhibition of rat UT-B expressed in MDCK cells
50014902	2	ChEMBL_2149292 (CHEMBL5033690)	Inhibition of mouse UT-B expressed in MDCK cells
50014903	1	ChEMBL_2149315 (CHEMBL5033713)	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50014903	2	ChEMBL_2149316 (CHEMBL5033714)	Inhibition of HDAC1 (unknown origin)
50014903	3	ChEMBL_2149317 (CHEMBL5033715)	Inhibition of HDAC4 (unknown origin)
50014903	4	ChEMBL_2149318 (CHEMBL5033716)	Displacement of fluorescent estradiol from full-length ERalpha (unknown origin) measured after 2 hrs by fluorescence polarization assay
50014904	1	ChEMBL_2149354 (CHEMBL5033752)	Antagonist activity at human CXCR2 expressed in HEK293 cells assessed as inhibition of CXCL8-induced beta-arrestin recruitment preincubated for 30 mins followed by addition of agonist incubated for 90 mins by beta arrestin assay
50014904	2	ChEMBL_2149355 (CHEMBL5033753)	Displacement of [I-125]-interleukin-8 against human recombinant CXCR2 expressed in CHO-K1 cells incubated for 60 mins by radio ligand binding assay
50014905	1	ChEMBL_2149501 (CHEMBL5033899)	Inhibition of p300 (unknown origin) preincubated for 15 mins followed by addition of substrate [3H] Ac-CoA and measured after 60 mins by liquid scintillation counting assay
50014905	2	ChEMBL_2149502 (CHEMBL5033900)	Inhibition of CBP (unknown origin) preincubated for 15 mins followed by addition of substrate [3H] Ac-CoA and measured after 60 mins by liquid scintillation counting assay
50014905	3	ChEMBL_2149512 (CHEMBL5033910)	Inhibition of p300 (unknown origin)
50014905	4	ChEMBL_2149513 (CHEMBL5033911)	Inhibition of GCN5 (unknown origin)
50014905	5	ChEMBL_2149514 (CHEMBL5033912)	Inhibition of NatD (unknown origin)
50014905	6	ChEMBL_2149515 (CHEMBL5033913)	Inhibition of PCAF (unknown origin)
50014905	7	ChEMBL_2149516 (CHEMBL5033914)	Inhibition of KAT7 (unknown origin)
50014905	8	ChEMBL_2149517 (CHEMBL5033915)	Inhibition of MOF (unknown origin)
50014905	9	ChEMBL_2149518 (CHEMBL5033916)	Inhibition of JMJD2A (unknown origin)
50014905	10	ChEMBL_2149519 (CHEMBL5033917)	Inhibition of LSD1 (unknown origin)
50014905	11	ChEMBL_2149520 (CHEMBL5033918)	Inhibition of HDAC1 (unknown origin)
50014905	12	ChEMBL_2149521 (CHEMBL5033919)	Inhibition of HDAC2 (unknown origin)
50014906	1	ChEMBL_2149552 (CHEMBL5033950)	Agonist activity at human RXFP3 expressed in human CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 1.5 hrs by TR-FRET assay
50014906	2	ChEMBL_2149554 (CHEMBL5033952)	Agonist activity at human RXFP3 expressed in human CHO-K1 cells assessed as beta arrestin-2 recruitment measured after 4 hrs by beta-galactosidase based beta arrestin2 recruitment assay
50014906	3	ChEMBL_2149556 (CHEMBL5033954)	Displacement of [125I]R3/I5 from human RXFP3 expressed in human CHO-K1 cells incubated for 1 hr by microplate scintillation counting analysis
50014906	4	ChEMBL_2149557 (CHEMBL5033955)	Agonist activity at human RXFP4 expressed in human CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 1.5 hrs by TR-FRET assay
50014909	1	ChEMBL_2149614 (CHEMBL5034076)	Binding affinity to Bacillus subtilis FtsZ polymer assessed as dissociation constant by fluorescence anisotropy analysis
50014909	2	ChEMBL_2149630 (CHEMBL5034092)	Displacement of free fluorescent probe from inter domain cleft of stabilized Bacillus subtilis FtsZ assessed as dissociation constant in presence of GMPCPP by fluorescence anisotropy analysis
50014910	1	ChEMBL_2149632 (CHEMBL5034094)	Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG peptide as substrate incubated for 20 mins by Kinase-Glo plus luminescent kinase assay
50014911	1	ChEMBL_2149677 (CHEMBL5034139)	Inhibition of human PD-1/PD-L1 interaction assessed as disruption of PD-1/PD-L1 complex incubated for 2 hrs by Tag-1 Eu3+ and anti-Tag2-XL665 based HTRF assay
50014912	1	ChEMBL_2149699 (CHEMBL5034161)	Positive allosteric modulator activity at human mGlu2 receptor expressed in rat Chem-1 cells assessed as cytosolic Ca2+ ion concentration measured after 30 mins by fluorometric analysis
50014912	2	ChEMBL_2149702 (CHEMBL5034164)	Inhibition of human ERG by patch clamp electrophysiology assay
50014912	3	ChEMBL_2149707 (CHEMBL5034169)	Inhibition of CYP1A2 (unknown origin)
50014912	4	ChEMBL_2149708 (CHEMBL5034170)	Inhibition of CYP2D6 (unknown origin)
50014912	5	ChEMBL_2149709 (CHEMBL5034171)	Inhibition of CYP2C9 (unknown origin)
50014912	6	ChEMBL_2149710 (CHEMBL5034172)	Inhibition of CYP3A4 (unknown origin)
50014912	7	ChEMBL_2149721 (CHEMBL5034183)	Activation of PXR (unknown origin)
50014915	1	ChEMBL_2149724 (CHEMBL5034186)	Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assay
50014915	2	ChEMBL_2149725 (CHEMBL5034187)	Inhibition of human Cathepsin D by FRET assay
50014915	3	ChEMBL_2149733 (CHEMBL5034195)	Inhibition of BACE1 in mouse primary cortical neuron assessed as reduction in Amyloid-beta level incubated for 24 hrs by sandwich ELISA assay
50014915	4	ChEMBL_2149740 (CHEMBL5034202)	Inhibition of recombinant human BACE2 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate by FRET assay
50014915	5	ChEMBL_2149749 (CHEMBL5034211)	Inhibition of human ERG
50014917	1	ChEMBL_2149816 (CHEMBL5034278)	Inhibition of human ERG by fluorescence polarization assay
50014917	2	ChEMBL_2149819 (CHEMBL5034281)	Inhibition of IL-17A (unknown origin) by ELISA II
50014917	3	ChEMBL_2149820 (CHEMBL5034282)	Binding affinity to IL-17A (unknown origin) measured by SPR assay
50014917	4	ChEMBL_2149821 (CHEMBL5034283)	Inhibition of IL-17A (unknown origin) measured by FRET assay
50014917	5	ChEMBL_2149823 (CHEMBL5034285)	Inhibition of IL-17A (unknown origin) measured by AlphaLISA assay
50014920	1	ChEMBL_2149831 (CHEMBL5034293)	Inhibition of MLL1 (unknown origin) histamine methyltransferase activity assessed as inhibition of H3K4 methylation incubated for 30 mins by Alphascreen assay
50014920	2	ChEMBL_2149833 (CHEMBL5034295)	Binding affinity to WDR5 (unknown origin) by isothermal titration calorimetry assay
50014920	3	ChEMBL_2149839 (CHEMBL5034301)	Inhibition of G9a (unknown origin) assessed as effect on H3K9 methylation incubated for 30 mins by Alphascreen assay
50014920	4	ChEMBL_2149840 (CHEMBL5034302)	Inhibition of DOT1L (unknown origin) assessed as effect on H3K79 methylation incubated for 30 mins by Alphascreen assay
50014920	5	ChEMBL_2149841 (CHEMBL5034303)	Inhibition of EZH2 (unknown origin) assessed as effect on H3K27 methylation incubated for 30 mins by Alphascreen assay
50014920	6	ChEMBL_2149842 (CHEMBL5034304)	Inhibition of SET8 (unknown origin) assessed as effect on H4K20 methylation incubated for 30 mins by Alphascreen assay
50014920	7	ChEMBL_2149843 (CHEMBL5034305)	Inhibition of PRMT5 (unknown origin) assessed as effect on H3R8/H4R3 methylation incubated for 30 mins by Alphascreen assay
50014920	8	ChEMBL_2149865 (CHEMBL5034327)	Binding affinity to WDR5 (unknown origin) using GSARAEVHLRKS peptide substrate by fluorescence polarization assays
50014921	1	ChEMBL_2149890 (CHEMBL5034352)	Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA measured after 30 min incubation by fluorescence assay
50014921	2	ChEMBL_2149891 (CHEMBL5034353)	Inhibition of human NatD using H4-8 peptide substrate at 4 times Km value and AcCoA measured after 30 min incubation by fluorescence assay
50014921	3	ChEMBL_2149892 (CHEMBL5034354)	Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis
50014921	4	ChEMBL_2149894 (CHEMBL5034356)	Competitive inhibition of human NatD using various concentration of human H4 peptide and fixed [14C]acetyl-CoA as substrate measured after 13 mins radioactive assay
50014921	5	ChEMBL_2149912 (CHEMBL5034374)	Inhibition of human MOF using AcCoA and H4 peptide as substrate incubated for 12 min at room temperature relative to control
50014922	1	ChEMBL_2149931 (CHEMBL5034393)	Binding affinity to ALK (unknown origin)
50014922	2	ChEMBL_2149932 (CHEMBL5034394)	Binding affinity to ALK G1202R mutant (unknown origin)
50014924	1	ChEMBL_2150025 (CHEMBL5034487)	Inhibition of human ERG by Ionworks electrophysiology assay
50014925	1	ChEMBL_2150027 (CHEMBL5034489)	Inhibition of PDE9A2 (181 to 506 residues) (unknown origin) using [3H]-cGMP substrate measured for 15 mins by liquid scintillation counting method
50014925	2	ChEMBL_2150029 (CHEMBL5034491)	Inhibition of PDE1C2 (147 to 531 residues) (unknown origin) using [3H]-cGMP substrate measured for 15 mins by liquid scintillation counting method
50014925	3	ChEMBL_2150030 (CHEMBL5034492)	Inhibition of PDE2A (580 to 919 residues) (unknown origin) using [3H]-cGMP substrate measured for 15 mins by liquid scintillation counting method
50014925	4	ChEMBL_2150031 (CHEMBL5034493)	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	5	ChEMBL_2150032 (CHEMBL5034494)	Inhibition of PDE4D2 (86 to 413 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	6	ChEMBL_2150033 (CHEMBL5034495)	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) using [3H]-cGMP substrate measured for 15 mins by liquid scintillation counting method
50014925	7	ChEMBL_2150034 (CHEMBL5034496)	Inhibition of PDE7A1 (130 to 482 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	8	ChEMBL_2150035 (CHEMBL5034497)	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	9	ChEMBL_2150036 (CHEMBL5034498)	Inhibition of PDE10A (449 to 770 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	10	ChEMBL_2150037 (CHEMBL5034499)	Inhibition of PDE11A4 (588 to 911 residues) (unknown origin) using [3H]-cAMP substrate measured for 15 mins by liquid scintillation counting method
50014925	11	ChEMBL_2150062 (CHEMBL5034524)	Inhibition of CYP1A2 (unknown origin)
50014925	12	ChEMBL_2150063 (CHEMBL5034525)	Inhibition of CYP2B6 (unknown origin)
50014925	13	ChEMBL_2150064 (CHEMBL5034526)	Inhibition of CYP2C9 (unknown origin)
50014925	14	ChEMBL_2150065 (CHEMBL5034527)	Inhibition of CYP2D6 (unknown origin)
50014925	15	ChEMBL_2150066 (CHEMBL5034528)	Inhibition of CYP3A4 (unknown origin)
50014925	16	ChEMBL_2150067 (CHEMBL5034529)	Inhibition of human ERG channel
50014925	17	ChEMBL_2150069 (CHEMBL5034531)	Binding affinity to PDE9A2 (unknown origin)
50014927	1	ChEMBL_2150070 (CHEMBL5034532)	Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysis
50014927	2	ChEMBL_2150072 (CHEMBL5034534)	Inhibition of PDE4 in human U-937 cells assessed as reduction in cAMP level by LANCE cAMP Assay
50014927	3	ChEMBL_2150073 (CHEMBL5034535)	Inhibition of human recombinant PDE4B2 assessed as reduction in cAMP level incubated for 2 hrs by LANCE Ultra cAMP TR-FRET assay
50014927	4	ChEMBL_2150080 (CHEMBL5034542)	Antagonist activity at muscarinic M3 receptor in rat trachea assessed as inhibition of carbachol-induced contraction
50014927	5	ChEMBL_2150084 (CHEMBL5034546)	Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysis
50014928	1	ChEMBL_2150100 (CHEMBL5034562)	Inhibition of DYRK1A expressed in human U2OS cells assessed as reduction in autophosphorylation at S520 residue incubated for 5 hrs
50014928	2	ChEMBL_2150101 (CHEMBL5034563)	Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by ADP hunter plus assay
50014928	3	ChEMBL_2150103 (CHEMBL5034565)	Inhibition of PAK4 (unknown origin) assessed as accumulation of ADP by ADP hunter plus assay
50014928	4	ChEMBL_2150104 (CHEMBL5034566)	Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hunter plus assay
50014928	5	ChEMBL_2150106 (CHEMBL5034568)	Inhibition of DYRK1A-Nanoluc (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50014928	6	ChEMBL_2150107 (CHEMBL5034569)	Inhibition of DYRK1A (unknown origin) by TR FRET assay
50014928	7	ChEMBL_2150108 (CHEMBL5034570)	Inhibition of DYRK1B (unknown origin) by TR FRET assay
50014928	8	ChEMBL_2150109 (CHEMBL5034571)	Inhibition of DYRK2 (unknown origin) by ADP hunter plus assay
50014928	9	ChEMBL_2150110 (CHEMBL5034572)	Inhibition of CDK9 (unknown origin) by TR FRET assay
50014928	10	ChEMBL_2150111 (CHEMBL5034573)	Inhibition of PAK4 (unknown origin) by ADP hunter plus assay
50014928	11	ChEMBL_2150112 (CHEMBL5034574)	Inhibition of PIM1 (unknown origin) by ADP hunter plus assay
50014928	12	ChEMBL_2150113 (CHEMBL5034575)	Inhibition of Aurora A (unknown origin) by ADP hunter plus assay
50014928	13	ChEMBL_2150114 (CHEMBL5034576)	Inhibition of TTK (unknown origin) by ADP hunter plus assay
50014928	14	ChEMBL_2150115 (CHEMBL5034577)	Inhibition of DYRK2 (unknown origin) by TR FRET assay
50014928	15	ChEMBL_2150116 (CHEMBL5034578)	Inhibition of CLK (unknown origin) by TR FRET assay
50014928	16	ChEMBL_2150117 (CHEMBL5034579)	Inhibition of GSK3beta (unknown origin) by radiometric assay
50014928	17	ChEMBL_2150118 (CHEMBL5034580)	Inhibition of DYRK3 (unknown origin) by TR FRET assay
50014928	18	ChEMBL_2150119 (CHEMBL5034581)	Inhibition of DYRK4 (unknown origin) by TR FRET assay
50014928	19	ChEMBL_2150132 (CHEMBL5034594)	Inhibition of human wild type DYRK1A (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay
50014928	20	ChEMBL_2150133 (CHEMBL5034595)	Inhibition of human wild type CLK1 (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay
50014928	21	ChEMBL_2150134 (CHEMBL5034596)	Inhibition of human partial length CLK2 (D144/R498) expressed in bacterial system by DiscoveryX Kinomescan binding assay
50014928	22	ChEMBL_2150135 (CHEMBL5034597)	Inhibition of human partial length CLK4 (R135/K481) expressed in bacterial system by DiscoveryX Kinomescan binding assay
50014928	23	ChEMBL_2150136 (CHEMBL5034598)	Inhibition of human wild type DYRK1B (M1 to S629) expressed in bacterial system by DiscoveryX Kinomescan binding assay
50014929	1	ChEMBL_2150170 (CHEMBL5034632)	Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	2	ChEMBL_2150171 (CHEMBL5034633)	Inhibition of human alpha2beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	3	ChEMBL_2150172 (CHEMBL5034634)	Inhibition of human alpha2beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	4	ChEMBL_2150173 (CHEMBL5034635)	Inhibition of human alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	5	ChEMBL_2150174 (CHEMBL5034636)	Inhibition of human alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	6	ChEMBL_2150175 (CHEMBL5034637)	Inhibition of human alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	7	ChEMBL_2150178 (CHEMBL5034640)	Inhibition of human alpha6/alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	8	ChEMBL_2150179 (CHEMBL5034641)	Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response by two-electrode voltage-clamp method
50014929	9	ChEMBL_2150227 (CHEMBL5034689)	Agonist activity at human GABAB1b receptor expressed in RBL cells by microplate analysis
50014929	10	ChEMBL_2150256 (CHEMBL5034718)	Antagonist activity at human GABAB1b receptor expressed in RBL cells preincubated for 5 mins followed by 3-APMPA addition by microplate analysis
50014930	1	ChEMBL_2150268 (CHEMBL5034730)	Displacement of [125I]-Tyr-Bpa-Ala-hexarelin from rat CD36 receptor in heart tissue membrane incubated for 60 mins by competitive receptor binding assay
50014932	1	ChEMBL_2150269 (CHEMBL5034731)	Agonist activity at recombinant human full-length FXR expressed in HeLa cells co-expressing human RXRalpha after 24 hrs by Dual-Glo luciferase assay
50014932	2	ChEMBL_2150272 (CHEMBL5034734)	Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluoresence-based assay
50014935	1	ChEMBL_2150392 (CHEMBL5034854)	Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay
50014935	2	ChEMBL_2150395 (CHEMBL5034857)	Inhibition of human recombinant HDAC1 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50014935	3	ChEMBL_2150396 (CHEMBL5034858)	Inhibition of human recombinant HDAC2 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50014935	4	ChEMBL_2150397 (CHEMBL5034859)	Inhibition of human recombinant HDAC3 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50014935	5	ChEMBL_2150398 (CHEMBL5034860)	Inhibition of human recombinant HDAC6 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50014936	1	ChEMBL_2150510 (CHEMBL5034972)	Agonist activity at human melanocortin receptor 1 expressed in human T-Rex-293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 45 mins by LANCE cAMP assay
50014936	2	ChEMBL_2150511 (CHEMBL5034973)	Agonist activity at human melanocortin receptor 3 expressed in human T-REx-293 cells assessed as stimulation of intracellular cAMP accumulation incubated for 45 mins by LANCE cAMP assay
50014936	3	ChEMBL_2150512 (CHEMBL5034974)	Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using low doxycycline assessed as stimulation of intracellular cAMP accumulation incubated for 45 mins by LANCE cAMP assay
50014936	4	ChEMBL_2150513 (CHEMBL5034975)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillation proximity assay
50014936	5	ChEMBL_2150514 (CHEMBL5034976)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillation proximity assay
50014936	6	ChEMBL_2150515 (CHEMBL5034977)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillation proximity assay
50014936	7	ChEMBL_2150516 (CHEMBL5034978)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in HEK2936E cell membrane measured after 16-23 hrs by 1450 microbeta trilux scintillation proximity assay
50014936	8	ChEMBL_2150520 (CHEMBL5034982)	Agonist activity at human melanocortin receptor 4 expressed in human T-REx-293 cells using high doxycycline assessed as stimulation of intracellular cAMP accumulation incubated for 45 mins by LANCE cAMP assay
50014937	1	ChEMBL_2150524 (CHEMBL5034986)	Binding affinity to full length human Bcl-xl expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed by 5-FAM-QEDIIIINIARHLAQVGDSMD-RSIPPG tracer addition and measured after 20 mins by fluorescence polarization assay
50014937	2	ChEMBL_2150525 (CHEMBL5034987)	Binding affinity to full length human Bcl-2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed by 5-FAM-QEDIIIINIARHLAQVGDSMD-RSIPPG tracer addition and measured after 20 mins by fluorescence polarization assay
50014937	3	ChEMBL_2150526 (CHEMBL5034988)	Binding affinity to full length human MCL1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed by 5-FAM-QEDIIIINIARHLAQVGDSMD-RSIPPG tracer addition and measured after 20 mins by fluorescence polarization assay
50014937	4	ChEMBL_2150562 (CHEMBL5035024)	Binding affinity to full length human MCL1 (173 to 321 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarization assay
50014937	5	ChEMBL_2150563 (CHEMBL5035025)	Binding affinity to human Bcl-2 assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarization assay
50014937	6	ChEMBL_2150564 (CHEMBL5035026)	Binding affinity to human Bcl-xl assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarization assay
50014937	7	ChEMBL_2150565 (CHEMBL5035027)	Inhibition of FITC-labeled BH3 peptide binding to human MCL1 expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET assay
50014937	8	ChEMBL_2150566 (CHEMBL5035028)	Inhibition of FITC-labeled BH3 peptide binding to Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET assay
50014937	9	ChEMBL_2150567 (CHEMBL5035029)	Inhibition of FITC-labeled BH3 peptide binding to Bcl-xl (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET assay
50014937	10	ChEMBL_2150568 (CHEMBL5035030)	Displacement of fluorescent-labeled BID-BH3 peptide from MCL1 (unknown origin) incubated for 2 hrs by fluorescence polarization-based competitive binding assay
50014937	11	ChEMBL_2150569 (CHEMBL5035031)	Displacement of fluorescent-labeled BID-BH3 peptide from Bcl-2 (unknown origin) incubated for 2 hrs by fluorescence polarization-based competitive binding assay
50014937	12	ChEMBL_2150570 (CHEMBL5035032)	Displacement of fluorescent-labeled BID-BH3 peptide from Bcl-xl (unknown origin) incubated for 2 hrs by fluorescence polarization-based competitive binding assay
50014937	13	ChEMBL_2150571 (CHEMBL5035033)	Inhibition of biotinylated Bim BH3 peptide binding to GST-tagged mouse MCL1 expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by ELISA
50014937	14	ChEMBL_2150572 (CHEMBL5035034)	Inhibition of biotinylated Bim BH3 peptide binding to GST-tagged human Bcl-xl expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by ELISA
50014937	15	ChEMBL_2150573 (CHEMBL5035035)	Inhibition of Fluor 647-labeled Bim peptide C binding to human N-terminal GST-tagged-Mcl-1 expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay
50014937	16	ChEMBL_2150574 (CHEMBL5035036)	Inhibition of Fluor 647-labeled Bim peptide C binding to human N-terminal GST-tagged Bcl-xL expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay
50014937	17	ChEMBL_2150575 (CHEMBL5035037)	Inhibition of Fluor 647-labeled Bim peptide C binding to human C-Terminal 6His-tagged Bcl-2 expressed in Escherichia coli incubated for 120 to 180 mins by lanthascreen TR-FRET assay
50014939	1	ChEMBL_2150692 (CHEMBL5035154)	Binding affinity to full-length human LXRalpha by surface plasmon resonance assay
50014941	1	ChEMBL_2150697 (CHEMBL5035159)	Inhibition of human ERG
50014941	2	ChEMBL_2150700 (CHEMBL5035162)	Inhibition of TrkA (unknown origin) by radiometric assay
50014941	3	ChEMBL_2150701 (CHEMBL5035163)	Inhibition of TrkB (unknown origin) by radiometric assay
50014941	4	ChEMBL_2150702 (CHEMBL5035164)	Inhibition of TrkC (unknown origin) by radiometric assay
50014941	5	ChEMBL_2150703 (CHEMBL5035165)	Inhibition of ROS1 (unknown origin) by radiometric assay
50014941	6	ChEMBL_2150704 (CHEMBL5035166)	Inhibition of ALK (unknown origin) by radiometric assay
50014941	7	ChEMBL_2150705 (CHEMBL5035167)	Inhibition of wild-type TrKA (unknown origin)
50014941	8	ChEMBL_2150706 (CHEMBL5035168)	Inhibition of wild-type TrKB (unknown origin)
50014941	9	ChEMBL_2150707 (CHEMBL5035169)	Inhibition of wild-type TrKC (unknown origin)
50014941	10	ChEMBL_2150708 (CHEMBL5035170)	Inhibition of TrKA G595R mutant (unknown origin)
50014941	11	ChEMBL_2150709 (CHEMBL5035171)	Inhibition of TrKA G667C mutant (unknown origin)
50014941	12	ChEMBL_2150715 (CHEMBL5035177)	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50014941	13	ChEMBL_2150716 (CHEMBL5035178)	Inhibition of human wild type ALK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50014941	14	ChEMBL_2150717 (CHEMBL5035179)	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50014941	15	ChEMBL_2150718 (CHEMBL5035180)	Inhibition of TrKA (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	16	ChEMBL_2150719 (CHEMBL5035181)	Inhibition of TrKA G595R mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	17	ChEMBL_2150720 (CHEMBL5035182)	Inhibition of TrKA G667C mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	18	ChEMBL_2150721 (CHEMBL5035183)	Inhibition of TrKC (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	19	ChEMBL_2150722 (CHEMBL5035184)	Inhibition of ALK (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	20	ChEMBL_2150723 (CHEMBL5035185)	Inhibition of ROS1 (unknown origin) incubated for 120 mins in presence of 33P-ATP
50014941	21	ChEMBL_2150725 (CHEMBL5035187)	Inhibition of TrkA (unknown origin)
50014941	22	ChEMBL_2150737 (CHEMBL5035199)	Inhibition of CYP1A2 in human pooled liver microsomes using phenacetin as substrate in presence of NADPH by LC-MS/MS analysis
50014941	23	ChEMBL_2150738 (CHEMBL5035200)	Inhibition of CYP2C9 in human pooled liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis
50014941	24	ChEMBL_2150739 (CHEMBL5035201)	Inhibition of CYP2C19 in human pooled liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis
50014941	25	ChEMBL_2150740 (CHEMBL5035202)	Inhibition of CYP2D6 in human pooled liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis
50014941	26	ChEMBL_2150741 (CHEMBL5035203)	Inhibition of CYP3A4 in human pooled liver microsomes using midazolam and testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50014941	27	ChEMBL_2150837 (CHEMBL5035299)	Inhibition of TrkB (unknown origin)
50014941	28	ChEMBL_2150838 (CHEMBL5035300)	Inhibition of TrkC (unknown origin)
50014941	29	ChEMBL_2150839 (CHEMBL5035301)	Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50014941	30	ChEMBL_2150840 (CHEMBL5035302)	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay
50014941	31	ChEMBL_2150841 (CHEMBL5035303)	Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate in presence of ATP by radiometric HotSpot kinase assay
50014943	1	ChEMBL_2150847 (CHEMBL5035309)	Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for 0.5 to 1 hr by fluorescence based analysis
50014943	2	ChEMBL_2150866 (CHEMBL5035328)	Inhibition of human Cathepsin L
50014943	3	ChEMBL_2150867 (CHEMBL5035329)	Inhibition of human Calpain-1 incubated for 60 mins by Bio-Rad protein assay dye reagent based assay
50014944	1	ChEMBL_2150923 (CHEMBL5035385)	Activation of human Mitofusin-2 expressed in MEF cells assessed as enhancement of mitochondrial elongation and polarization measured after 48 hrs by Hoechst staining based confocal microscopy analysis
50014945	1	ChEMBL_2150927 (CHEMBL5035389)	Agonist activity at MOR (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins in presence of 3-isobutyl-1-methylxanthine followed by forskolin and compound addition by competitive PKA binding assay
50014945	2	ChEMBL_2150929 (CHEMBL5035391)	Agonist activity at KOR (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins in presence of 3-isobutyl-1-methylxanthine followed by forskolin and compound addition by competitive PKA binding assay
50014945	3	ChEMBL_2150931 (CHEMBL5035393)	Agonist activity at DOR (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins in presence of 3-isobutyl-1-methylxanthine followed by forskolin and compound addition by competitive PKA binding assay
50014945	4	ChEMBL_2150933 (CHEMBL5035395)	Agonist activity at NPFF1R (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins in presence of 3-isobutyl-1-methylxanthine followed by forskolin and compound addition by competitive PKA binding assay
50014945	5	ChEMBL_2150935 (CHEMBL5035397)	Agonist activity at NPFF2R (unknown origin) expressed in HEK293-A cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 30 mins in presence of 3-isobutyl-1-methylxanthine followed by forskolin and compound addition by competitive PKA binding assay
50014947	1	ChEMBL_2151025 (CHEMBL5035487)	Inhibition of PDE4 (unknown origin) in presence of calcium by colorimetric assay
50014947	2	ChEMBL_2151026 (CHEMBL5035488)	Inhibition of PDE4 (unknown origin) in absence of calcium by colorimetric assay
50014947	3	ChEMBL_2151027 (CHEMBL5035489)	Inhibition of PDE4 (unknown origin) by colorimetric assay
50014947	4	ChEMBL_2151028 (CHEMBL5035490)	Inhibition of PDE4 (unknown origin) by Fluopol-ABPP HTS assay
50014947	5	ChEMBL_2151029 (CHEMBL5035491)	Inhibition of PDE4 (unknown origin) by in vitro screening assay
50014947	6	ChEMBL_2151031 (CHEMBL5035493)	Inhibition of recombinant human PDE4 using histone H3 as substrate by ELISA-based assay
50014947	7	ChEMBL_2151032 (CHEMBL5035494)	Inhibition of PAD1 (unknown origin)
50014947	8	ChEMBL_2151033 (CHEMBL5035495)	Inhibition of PAD2 (unknown origin)
50014947	9	ChEMBL_2151034 (CHEMBL5035496)	Inhibition of PAD3 (unknown origin)
50014947	10	ChEMBL_2151035 (CHEMBL5035497)	Inhibition of PAD4 (unknown origin)
50014948	1	ChEMBL_2151037 (CHEMBL5035499)	Inhibition of human recombinant glutaminyl cyclase using H-Gln-AMC hydrobromide as substrate measured after 15 mins by fluorimetry
50014948	2	ChEMBL_2151040 (CHEMBL5035502)	Inhibition of isoQC (unknown origin)
50014948	3	ChEMBL_2151041 (CHEMBL5035503)	Inhibition of mouse QPCT measured after 15 mins by fluorimetry
50014951	1	ChEMBL_2151090 (CHEMBL5035552)	Inhibition of MRP1 in human 2008/MRP1 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at 1 uM after 5 days by Cell Titer-Glo luminescence assay
50014951	2	ChEMBL_2151091 (CHEMBL5035553)	Inhibition of BCRP in HEK293/R2 cells assessed as reversal of topotecan resistance by measuring topotecan IC50 at 1 uM after 5 days by Cell Titer-Glo luminescence assay
50014951	3	ChEMBL_2151092 (CHEMBL5035554)	Inhibition of P-glycoprotein in human LCC6MDR cells assessed as reversal fold by measuring reduction in paclitaxel by measuring paclitaxel IC50 at 1 uM after 5 days by Cell Titer-Glo luminescence assay
50014952	1	ChEMBL_2151110 (CHEMBL5035572)	Inhibition of human tyrosinase
50014952	2	ChEMBL_2151123 (CHEMBL5035585)	Binding affinity to Bacillus megaterium Tyrosinase expressed in Escherichia coli BL21 assessed as dissociation constant incubated for 5 mins by by Red-NHS fluorescence dye-based microscale thermophoresis analysis
50014953	1	ChEMBL_2151140 (CHEMBL5035602)	Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes incubated for 90 mins by liquid scintillation counting method
50014953	2	ChEMBL_2151141 (CHEMBL5035603)	Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membranes measured after 90 mins by scintillation counting method
50014953	3	ChEMBL_2151143 (CHEMBL5035605)	Agonist activity at human MOR expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 60 mins by cAMP HTRF assay
50014958	1	ChEMBL_2151186 (CHEMBL5035648)	Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mins by FRET-based Z-lyte kinase assay
50014958	2	ChEMBL_2151187 (CHEMBL5035649)	Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mins by FRET-based Z-lyte kinase assay
50014958	3	ChEMBL_2151188 (CHEMBL5035650)	Inhibition of TRKA G667C mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mins by FRET-based Z-lyte kinase assay
50014958	4	ChEMBL_2151233 (CHEMBL5035695)	Inhibition of hERG
50014959	1	ChEMBL_2151280 (CHEMBL5035742)	Binding affinity to MLKL N-terminal executioner domain (2 to 154 residues)(unknown origin) assessed as dissociation constant by TROSY-HSQC NMR titration analysis
50014959	2	ChEMBL_2151282 (CHEMBL5035744)	Binding affinity to MLKL N-terminal executioner domain (2 to 154 residues)(unknown origin) assessed as dissociation constant in presence of Nonyl-maltoside by TROSY-HSQC NMR titration analysis
50014960	1	ChEMBL_2151332 (CHEMBL5035794)	Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay
50014960	2	ChEMBL_2151333 (CHEMBL5035795)	Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay
50014960	3	ChEMBL_2151334 (CHEMBL5035796)	Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay
50014960	4	ChEMBL_2151352 (CHEMBL5035814)	Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells assessed as reduction in OATP 1B1-mediated [3H]-pitavastatin uptake preincubated for 30 mins followed by [3H]-pitavastatin addition and measured after 2 mins by liquid scintillation analysis
50014961	1	ChEMBL_2151385 (CHEMBL5035847)	Inhibition of CYP2B6 (unknown origin)
50014961	2	ChEMBL_2151399 (CHEMBL5035861)	Inhibition of BSEP (unknown origin)
50014961	3	ChEMBL_2151400 (CHEMBL5035862)	Inhibition of CYP1A2 (unknown origin)
50014961	4	ChEMBL_2151401 (CHEMBL5035863)	Inhibition of MDR3 (unknown origin)
50014961	5	ChEMBL_2151402 (CHEMBL5035864)	Inhibition of MRP3 (unknown origin)
50014961	6	ChEMBL_2151403 (CHEMBL5035865)	Inhibition of CYP2C9 (unknown origin)
50014961	7	ChEMBL_2151404 (CHEMBL5035866)	Inhibition of OATP1B1 (unknown origin)
50014961	8	ChEMBL_2151405 (CHEMBL5035867)	Inhibition of OATP1B3 (unknown origin)
50014961	9	ChEMBL_2151406 (CHEMBL5035868)	Inhibition of CYP2C8 (unknown origin)
50014961	10	ChEMBL_2151408 (CHEMBL5035870)	Inhibition of MRP4 (unknown origin)
50014961	11	ChEMBL_2151410 (CHEMBL5035872)	Inhibition of CYP2C19 (unknown origin)
50014961	12	ChEMBL_2151411 (CHEMBL5035873)	Inhibition of CYP3A4 (unknown origin)
50014961	13	ChEMBL_2151412 (CHEMBL5035874)	Inhibition of CYP2D6 (unknown origin)
50014961	14	ChEMBL_2151413 (CHEMBL5035875)	Induction of CYP2B6 in human hepatocytes
50014961	15	ChEMBL_2151414 (CHEMBL5035876)	Induction of CYP3A4 in human hepatocytes
50014961	16	ChEMBL_2151415 (CHEMBL5035877)	Induction of CYP2C9 in human hepatocytes
50014962	1	ChEMBL_2151592 (CHEMBL5036054)	Inhibition of CYP1A2 in human liver microsome using phenacetin as substrate
50014962	2	ChEMBL_2151593 (CHEMBL5036055)	Inhibition of CYP3A4 in human liver microsome using midazolam as substrate
50014962	3	ChEMBL_2151594 (CHEMBL5036056)	Inhibition of CYP3A4 in human liver microsome using testosterone as substrate
50014962	4	ChEMBL_2151595 (CHEMBL5036057)	Inhibition of CYP2C8 in human liver microsome using paclitaxel as substrate
50014962	5	ChEMBL_2151596 (CHEMBL5036058)	Inhibition of CYP2C9 in human liver microsome using tolbutamide as substrate
50014962	6	ChEMBL_2151597 (CHEMBL5036059)	Inhibition of CYP2C19 in human liver microsome using mephenytoin as substrate
50014962	7	ChEMBL_2151598 (CHEMBL5036060)	Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate
50014963	1	ChEMBL_2151671 (CHEMBL5036133)	Inhibition of ELOVL1 in HEK293 cells assessed as reduction of C26:0 lipo phosphatidyl choline synthesis
50014963	2	ChEMBL_2151676 (CHEMBL5036138)	Inhibition of ELOVL6 in HEK293 cells by radiometric enzyme assay
50014963	3	ChEMBL_2151695 (CHEMBL5036157)	Inhibition of human ERG
50014963	4	ChEMBL_2151698 (CHEMBL5036160)	Inhibition of ELOVL1 (unknown origin)
50014967	1	ChEMBL_2151709 (CHEMBL5036171)	Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1alpha by fluorescence polarization assay
50014967	2	ChEMBL_2151717 (CHEMBL5036179)	Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues) (unknown origin) expressed in Escherichia coli assessed as displacement of HIF-1alpha by binary binding competitive fluorescence polarization assay
50014969	1	ChEMBL_2151755 (CHEMBL5036217)	Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analysis
50014975	1	ChEMBL_2151759 (CHEMBL5036221)	Inhibition of human PAD4 using BAEE as substrate incubated for 30 mins by spectrophotometric based assay
50014978	1	ChEMBL_2151768 (CHEMBL5036230)	Inhibition of PCSK9 translation in human THP-1 cells by AlphaLISA assay
50014978	2	ChEMBL_2151772 (CHEMBL5036234)	Displacement of [3H]-dofetilide from human ERG
50014978	3	ChEMBL_2151773 (CHEMBL5036235)	Inhibition of human ERG
50014978	4	ChEMBL_2151774 (CHEMBL5036236)	Agonist activity at adrenergic alpha-1A receptor (unknown origin) expressed in cells assessed as change in fluorescence measured after 24 hrs by FLIPR assay
50014978	5	ChEMBL_2151775 (CHEMBL5036237)	Agonist activity at adrenergic beta2 receptor (unknown origin) expressed in cells measured after 90 mins by beta-arrestin recruitment assay
50014978	6	ChEMBL_2151776 (CHEMBL5036238)	Agonist activity at cannabinoid receptor 1 (unknown origin) expressed in cells measured after 90 mins by beta-arrestin recruitment assay
50014978	7	ChEMBL_2151777 (CHEMBL5036239)	Agonist activity at dopamine D1 receptor (unknown origin) expressed in cells assessed as change in fluorescence measured after 24 hrs by FLIPR assay
50014978	8	ChEMBL_2151778 (CHEMBL5036240)	Agonist activity at histamine H1 receptor (unknown origin) expressed in cells assessed as change in fluorescence measured after 24 hrs by FLIPR assay
50014978	9	ChEMBL_2151779 (CHEMBL5036241)	Agonist activity at mu opioid receptor (unknown origin) expressed in cells by beta-arrestin recruitment assay
50014978	10	ChEMBL_2151780 (CHEMBL5036242)	Agonist activity at serotonin 2B receptor (unknown origin) expressed in cells assessed as change in fluorescence measured after 24 hrs by FLIPR assay
50014978	11	ChEMBL_2151784 (CHEMBL5036246)	Antagonist activity at muscarinic M1 receptor (unknown origin) expressed in cells assessed as change in fluorescence measured after 24 hrs by FLIPR assay
50014978	12	ChEMBL_2151785 (CHEMBL5036247)	Inhibition of His-tagged BRD4 (unknown origin) using tetra-acetylated histone H4 peptide as substrate by fluorescent polarization binding assay
50014978	13	ChEMBL_2151787 (CHEMBL5036249)	Inhibition of PDE4D3 (unknown origin) assessed as conversion of cAMP to AMP measured after 30 mins by YSi scintillation proximity assay
50014978	14	ChEMBL_2151788 (CHEMBL5036250)	Inhibition of PDE5A1 (unknown origin) assessed as conversion of cAMP to AMP measured after 30 mins by YSi scintillation proximity assay
50014980	1	ChEMBL_2151789 (CHEMBL5036251)	Inhibition of human DHODH using dihydroorotate as substrate and CoQ6 as co-substrate by DCIP dye based spectrophotometry analysis
50014981	1	ChEMBL_2151791 (CHEMBL5036253)	Inhibition of human MAGL expressed in HeLa cells using [glycerol-1, 3-3H]-oleoyl glycerol as substrate incubated for 1 hr
50014982	1	ChEMBL_2151811 (CHEMBL5036273)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in human HEK293 cells at 1 uM incubated for 30 mins by fluorescence polarization binding assay
50014982	2	ChEMBL_2151812 (CHEMBL5036274)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells incubated for 30 mins by fluorescence polarization binding assay
50014982	3	ChEMBL_2151813 (CHEMBL5036275)	Displacement of CELT-228 from human adenosine A3 receptor expressed in human HeLa cells incubated for 30 mins by fluorescence polarization binding assay
50014982	4	ChEMBL_2151814 (CHEMBL5036276)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in human CHO cells incubated for 30 mins by fluorescence polarization binding assay
50014982	5	ChEMBL_2151815 (CHEMBL5036277)	Displacement of [3H] 4-2-7-amino-2-2-furyl1,2,4 triazolo2,3-a1,3,5triazin-5-ylaminoethyl phenol from human adenosine A2A receptor expressed in human HeLa cells incubated for 30 mins by fluorescence polarization binding assay
50014982	6	ChEMBL_2151816 (CHEMBL5036278)	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in human HEK293 cells incubated for 30 mins by fluorescence polarization binding assay
50014983	1	ChEMBL_2151817 (CHEMBL5036279)	Inhibition of EGFR T790M mutant (unknown origin) using Poly (Glu, Tyr)4:1 as substrate by spectrophotometry
50014986	1	ChEMBL_2151854 (CHEMBL5036401)	Inhibition of human ERG expressed in CHO cells by patch clamp method
50014988	1	ChEMBL_2151898 (CHEMBL5036445)	Agonist activity at wild type CMKL1 (unknown origin) expressed in COS-7 cells assessed as increase in calcium flux measured for 40 sec by Fluo-2 AM dye based assay
50014988	2	ChEMBL_2151910 (CHEMBL5036457)	Agonist activity at Wild type CMKL1 (unknown origin) expressed in COS-7 cells assessed as accumulation of inositol phosphate incubated for 3 hrs by liquid scintillation counting method
50014989	1	ChEMBL_2151922 (CHEMBL5036469)	Inhibition of SOS1-mediated proliferation of human NCI-H520 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferation assay
50014989	2	ChEMBL_2151928 (CHEMBL5036475)	Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by SPR analysis
50014989	3	ChEMBL_2151929 (CHEMBL5036476)	Inhibition of EGFR (unknown origin)
50014989	4	ChEMBL_2151931 (CHEMBL5036478)	Inhibition of SOS1-mediated proliferation of human DLD-1 cells assessed as proliferation incubated for 5 to 14 days by AlamarBlue based 3D proliferation assay
50014991	1	ChEMBL_2151945 (CHEMBL5036492)	Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	2	ChEMBL_2151946 (CHEMBL5036493)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	3	ChEMBL_2151950 (CHEMBL5036497)	Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	4	ChEMBL_2151951 (CHEMBL5036498)	Inhibition of recombinant HDAC2 (unknown origin) using Boc-Lys(Ac)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	5	ChEMBL_2151952 (CHEMBL5036499)	Inhibition of recombinant HDAC8 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	6	ChEMBL_2151953 (CHEMBL5036500)	Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	7	ChEMBL_2151954 (CHEMBL5036501)	Inhibition of recombinant HDAC7 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	8	ChEMBL_2151955 (CHEMBL5036502)	Inhibition of recombinant HDAC9 (unknown origin) using Boc-Lys(trifluoroacetyl)-AMC as substrate pre-incubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based assay
50014991	9	ChEMBL_2151991 (CHEMBL5036538)	Inhibition of HDAC3 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate and trypsin addition by microplate reader based assay
50014991	10	ChEMBL_2151992 (CHEMBL5036539)	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate and trypsin addition by microplate reader based assay
50014992	1	ChEMBL_2152067 (CHEMBL5036614)	Binding affinity to full length recombinant human N-terminal His6-tagged MAT2A expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50014992	2	ChEMBL_2152068 (CHEMBL5036615)	Inhibition of full length recombinant human N-terminal His6-tagged MAT2A expressed in Escherichia coli using methionine and ATP as substrate incubated for 90 mins by biomol green reagent based assay
50014992	3	ChEMBL_2152069 (CHEMBL5036616)	Inhibition of PRMT5 in human HCT116-MTAP null cells assessed as reduction in symmetric dimethylation of arginine using SAM as substrate incubated for 48 hrs by Hoechst 33342 staining based assay
50014992	4	ChEMBL_2152076 (CHEMBL5036623)	Inhibition of CYP3A4 in human liver microsomes
50014992	5	ChEMBL_2152077 (CHEMBL5036624)	Inhibition of CYP1A2 in human liver microsomes
50014992	6	ChEMBL_2152078 (CHEMBL5036625)	Inhibition of hERG by plate-based planar patch clamp method
50014993	1	ChEMBL_2152096 (CHEMBL5036643)	Inhibition of human hexa-His tagged MPS1 (515 to 795 residue) expressed in Escherichia coli BL2I-DE3 cells incubated for 4 hrs in presence of ATP by ADP-glo luminescence assay
50014994	1	ChEMBL_2152121 (CHEMBL5036668)	Inhibition of human recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay
50014994	2	ChEMBL_2152125 (CHEMBL5036672)	Inhibition of mouse recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay
50014994	3	ChEMBL_2152126 (CHEMBL5036673)	Inhibition of rat recombinant sEH using CMNPC as substrate incubated for 5 mins by fluorescent based assay
50014994	4	ChEMBL_2152130 (CHEMBL5036677)	Inhibition of human recombinant LOX-5 preincubated for 10 mins in presence of AA and ATP measured after 20 mins by fluorescent assay
50014994	5	ChEMBL_2152131 (CHEMBL5036678)	Inhibition of human COX-2
50014994	6	ChEMBL_2152134 (CHEMBL5036681)	Inhibition of human recombinant CYP2C19 preincubated for 5 mins in presence of NADP+ by fluorescent assay relative to control
50014995	1	ChEMBL_2152146 (CHEMBL5036693)	Inhibition of human recombinant HAO1 assessed as detecting hydrogen peroxide using glycolic acid as substrate preincubated for 30 min followed by substrate addition measured after 15 mins by microplate reader
50014995	2	ChEMBL_2152147 (CHEMBL5036694)	Inhibition of human recombinant HAO1 assessed as fluorescent intensity using hydrogen peroxide as substrate by HRP interference detection assay
50014995	3	ChEMBL_2152161 (CHEMBL5036708)	Inhibition of human recombinant HAO1 expressed in CHO cells co-transformed with a vector expressing glycolate oxidase assessed as cell rescue from CHO-Go induced oxalate mediated cell death incubated for 1 hr followed by addition of glycolic acid and measured upto 96 hrs
50014996	1	ChEMBL_2152166 (CHEMBL5036713)	Binding affinity to Cy3 dye-labelled human CRM1 assessed as dissociation constant in absence of RanGTP at 10 uM incubated for 1 hr by micro-scale thermophoresis analysis
50014997	1	ChEMBL_2152216 (CHEMBL5036763)	Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay
50014997	2	ChEMBL_2152217 (CHEMBL5036764)	Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay
50014997	3	ChEMBL_2152219 (CHEMBL5036766)	Inhibition in human Gal-1
50014997	4	ChEMBL_2152220 (CHEMBL5036767)	Inhibition in human Gal-9
50014997	5	ChEMBL_2152228 (CHEMBL5036775)	Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assay
50014997	6	ChEMBL_2152229 (CHEMBL5036776)	Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based assay
50014999	1	ChEMBL_2152240 (CHEMBL5036787)	Inhibition of wild type HIV-1 protease assessed as initial inhibition constant by spectrophotometric analysis
50014999	2	ChEMBL_2152242 (CHEMBL5036789)	Inhibition of human renin assessed as inhibition constant using H-R-E(EDANS)-1HPFHLVIHT-K(DABCYL)-R-OH as susbtrate by spectrophotometric analysis
50014999	3	ChEMBL_2152243 (CHEMBL5036790)	Inhibition of human cathepsin D assessed as inhibition constant using ACC-GKPILFFRILK-(DNP)-(dR)-NH2 as substrate by spectrophotometric analysis
50014999	4	ChEMBL_2152244 (CHEMBL5036791)	Inhibition of human cathepsin E assessed as inhibition constant using ACC-GKPILFFRILK-(DNP)-(dR)-NH2 as substrate by spectrophotometric analysis
50015000	1	ChEMBL_2152290 (CHEMBL5036837)	Activation of wild-type human STING expressed in digitonin treated HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation by luciferase reporter gene assay
50015000	2	ChEMBL_2152295 (CHEMBL5036842)	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation measured after 30 mins by luciferase reporter gene assay
50015000	3	ChEMBL_2152297 (CHEMBL5036844)	Activation of wild-type human STING expressed in HEK293T cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation measured after 7 hrs by luciferase reporter gene assay
50015000	4	ChEMBL_2152299 (CHEMBL5036846)	Activation of wild-type human STING expressed in digitonin treated human THP1-Dual cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation measured after 30 mins by luciferase reporter gene assay
50015000	5	ChEMBL_2152300 (CHEMBL5036847)	Activation of wild-type human STING expressed in human THP1-Dual cells co-expressing IRF3-activated ISRE assessed as IRF3 reporter activation measured after 7 hrs by luciferase reporter gene assay
50015003	1	ChEMBL_2152317 (CHEMBL5036864)	Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incubated for 30 mins in presence of ATP by kinase-glo luminescence assay
50015003	2	ChEMBL_2152411 (CHEMBL5036958)	Inhibition of hERG expressed in CHO cells by whole-cell QPatch automated patch-clamp technique
50015004	1	ChEMBL_2152460 (CHEMBL5037007)	Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubated for 5 mins followed by forskolin addition by FLIPR assay
50015004	2	ChEMBL_2152462 (CHEMBL5037009)	Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated for 5 to 30 mins in presence of forskolin by Quattro assay
50015004	3	ChEMBL_2152464 (CHEMBL5037011)	Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin
50015004	4	ChEMBL_2152466 (CHEMBL5037013)	Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin
50015004	5	ChEMBL_2152468 (CHEMBL5037015)	Potentiation of CFTR G551D mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin
50015004	6	ChEMBL_2152470 (CHEMBL5037017)	Potentiation of CFTR F508 deletion mutant (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskolin and amiloride
50015004	7	ChEMBL_2152472 (CHEMBL5037019)	Potentiation of wild type CFTR (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskolin and amiloride
50015005	1	ChEMBL_2152485 (CHEMBL5037032)	Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent auto-ubiquitination in presence of ATP measured after 13 hrs by fluorescence microplate reader assay
50015006	1	ChEMBL_2152563 (CHEMBL5037110)	Agonist activity at human TLR7 expressed in HEK293 cells incubated for 6 to 16 hrs by SEAP reporter gene assay
50015006	2	ChEMBL_2152564 (CHEMBL5037111)	Agonist activity at human TLR8 expressed in HEK293 cells incubated for 6 to 16 hrs by SEAP reporter gene assay
50015006	3	ChEMBL_2152616 (CHEMBL5037163)	Inhibition of hERG expressed in HEK293 cells
50015008	1	ChEMBL_2152646 (CHEMBL5037193)	Inhibition of PD-1/PD-L1 interaction (unknown origin) preincubated with PD-L1 for 15 mins followed by PD-1 addition measured after 90 mins by TR-FRET assay
50015012	1	ChEMBL_2152676 (CHEMBL5037223)	Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation counting method
50015012	2	ChEMBL_2152680 (CHEMBL5037227)	Binding affinity to human Adenosine A1 receptor expressed in Flp-In-CHO cell membrane by microbeta scintillation counting method
50015012	3	ChEMBL_2152681 (CHEMBL5037228)	Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout and further incubated for 4 hrs with radioligand by microbeta scintillation counting method
50015012	4	ChEMBL_2152682 (CHEMBL5037229)	Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumulation preincubated for 10 min followed by forskolin stimulation and further incubated for 30 mins in presence of NECA by alphascreen LANCE assay
50015012	5	ChEMBL_2152684 (CHEMBL5037231)	Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in presence of forskolin measured after 40 mins by alpha screen LANCE assay
50015012	6	ChEMBL_2152685 (CHEMBL5037232)	Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in presence of forskolin measured after 40 mins by alpha screen LANCE assay
50015012	7	ChEMBL_2152686 (CHEMBL5037233)	Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in presence of forskolin measured after 40 mins by alpha screen LANCE assay
50015012	8	ChEMBL_2152687 (CHEMBL5037234)	Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in presence of forskolin measured after 40 mins by alpha screen LANCE assay
50015013	1	ChEMBL_2152693 (CHEMBL5037240)	Antagonist activity at human TLR9 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CpGB-induced NFkappaB activation measured after overnight incubation by SEAP-based spectrophotometry assay
50015013	2	ChEMBL_2152694 (CHEMBL5037241)	Antagonist activity at human TLR7 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation measured after overnight incubation by SEAP-based spectrophotometry assay
50015013	3	ChEMBL_2152719 (CHEMBL5037266)	Antagonist activity at human TLR8 expressed in HEK-blue-HTLR7 cells assessed as inhibition of CL075-induced NFkappaB activation measured after overnight incubation by SEAP-based spectrophotometry assay
50015014	1	ChEMBL_2152738 (CHEMBL5037285)	Binding affinity to full length PLK1 (367 to 603 residues) (unknown origin) using MAGPMQS[pT]PLNGAKK tracer peptide as substrate by fluorescence polarization binding assay
50015014	2	ChEMBL_2152741 (CHEMBL5037288)	Binding affinity to PLK1 in human PC-3 cells incubated for 2 hrs followed by heat shock for 10 mins by cellular thermal shift assay
50015016	1	ChEMBL_2152760 (CHEMBL5037307)	Binding affinity to BRD4 BD1 (unknown origin) by fluorescence anisotropy method
50015016	2	ChEMBL_2152761 (CHEMBL5037308)	Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method
50015016	3	ChEMBL_2152763 (CHEMBL5037310)	Binding affinity to human partial length BRD4 BD1 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	4	ChEMBL_2152765 (CHEMBL5037312)	Binding affinity to human partial length BRD2 BD1 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	5	ChEMBL_2152766 (CHEMBL5037313)	Binding affinity to human partial length BRD3 BD1 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	6	ChEMBL_2152767 (CHEMBL5037314)	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by Discover X assay
50015016	7	ChEMBL_2152768 (CHEMBL5037315)	Binding affinity to human partial length BRDT BD1 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	8	ChEMBL_2152769 (CHEMBL5037316)	Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	9	ChEMBL_2152770 (CHEMBL5037317)	Binding affinity to human partial length BRD2 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	10	ChEMBL_2152771 (CHEMBL5037318)	Binding affinity to human partial length BRD3 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015016	11	ChEMBL_2152772 (CHEMBL5037319)	Binding affinity to human partial length BRDT BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay
50015017	1	ChEMBL_2152931 (CHEMBL5037478)	Inhibition of CDK9 (unknown origin) assessed as dissociation constant by DiscoveryX assay
50015017	2	ChEMBL_2152932 (CHEMBL5037479)	Inhibition of GSK3 alpha (unknown origin) assessed as dissociation constant by DiscoveryX assay
50015017	3	ChEMBL_2152933 (CHEMBL5037480)	Inhibition of IRAK1 (unknown origin) assessed as dissociation constant by DiscoveryX assay
50015017	4	ChEMBL_2152934 (CHEMBL5037481)	Inhibition of CDK9 (unknown origin) in high presence of high ATP incubated for 25 min by TR-FRET assay
50015020	1	ChEMBL_2152974 (CHEMBL5037521)	Inhibition of human aromatase assessed as reduction in fluorescence intensity preincubated with NADPH regenerating system for 10 mins followed by substrate addition incubated for 60 mins by fluorescence based microplate reader analysis
50015020	2	ChEMBL_2152975 (CHEMBL5037522)	Binding affinity to human ERalpha measured after 2 hrs by fluorescence polarization plate reader
50015020	3	ChEMBL_2152980 (CHEMBL5037527)	Induction of degradation of ERalpha in human MCF7 cells at 72 hrs by Western blot analysis
50015021	1	ChEMBL_2152983 (CHEMBL5037530)	Modulator activity at human Nav1.1 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	2	ChEMBL_2152984 (CHEMBL5037531)	Modulator activity at rat Nav1.2 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	3	ChEMBL_2152985 (CHEMBL5037532)	Modulator activity at rat Nav1.3 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	4	ChEMBL_2152986 (CHEMBL5037533)	Modulator activity at rat Nav1.4 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	5	ChEMBL_2152987 (CHEMBL5037534)	Modulator activity at human Nav1.5 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	6	ChEMBL_2152988 (CHEMBL5037535)	Modulator activity at mouse Nav1.6 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015021	7	ChEMBL_2152989 (CHEMBL5037536)	Modulator activity at human Nav1.7 expressed in Xenopus laevis oocytes assessed as elicitation in sodium current measured after 1 to 4 days by two-electrode voltage clamp assay
50015022	1	ChEMBL_2152992 (CHEMBL5037539)	Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay
50015022	2	ChEMBL_2152998 (CHEMBL5037545)	Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50015022	3	ChEMBL_2152999 (CHEMBL5037546)	Inhibition of CHK2 (unknown origin) by Z-lyte assay
50015022	4	ChEMBL_2153000 (CHEMBL5037547)	Inhibition of LRRK2 (unknown origin) by ADAPTA assay
50015022	5	ChEMBL_2153001 (CHEMBL5037548)	Inhibition of LRRK2 G2019S mutant (unknown origin) by ADAPTA assay
50015022	6	ChEMBL_2153002 (CHEMBL5037549)	Inhibition of JNK1 (unknown origin) by Z-lyte assay
50015022	7	ChEMBL_2153003 (CHEMBL5037550)	Inhibition of JNK2 (unknown origin) by Z-lyte assay
50015022	8	ChEMBL_2153004 (CHEMBL5037551)	Inhibition of MAPKAPK3 (unknown origin) by Z-lyte assay
50015022	9	ChEMBL_2153005 (CHEMBL5037552)	Inhibition of SRC N1 (unknown origin) by Z-lyte assay
50015022	10	ChEMBL_2153006 (CHEMBL5037553)	Inhibition of TSSK2 (unknown origin) by Z-lyte assay
50015022	11	ChEMBL_2153007 (CHEMBL5037554)	Inhibition of TSSK1 (unknown origin) by Z-lyte assay
50015022	12	ChEMBL_2153017 (CHEMBL5037564)	Inhibition of TTK autophosphorylation at T686 residue in human CAL-51 cells measured after 1 hr by Western blot analysis
50015022	13	ChEMBL_2153037 (CHEMBL5037584)	Time dependent inhibition of CYP2C8 in human liver microsomes
50015022	14	ChEMBL_2153038 (CHEMBL5037585)	Inhibition of hERG
50015022	15	ChEMBL_2153045 (CHEMBL5037592)	Inhibition of full length TTK (unknown origin) using MBP-derived peptide as substrate preincubated for 1 hr in dark followed by substrate addition and further incubated for 2 hrs in dark in presence of ATP by Fluorescein polarization assay
50015025	1	ChEMBL_2153143 (CHEMBL5037690)	Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate by Ellman's method
50015025	2	ChEMBL_2153144 (CHEMBL5037691)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate by Ellman's method
50015025	3	ChEMBL_2153149 (CHEMBL5037696)	Inhibition of hERG expressed in CHO-K1 cells assessed as reduction in thallium influx incubated for 30 minutes by FLIPR
50015026	1	ChEMBL_2153185 (CHEMBL5037732)	Inhibition of wild type EGFR (unknown origin) measured by ELISA
50015027	1	ChEMBL_2153278 (CHEMBL5037825)	Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 spike glycoprotein assessed as dissociation constant by SPR analysis
50015028	1	ChEMBL_2153344 (CHEMBL5037891)	Inhibition of HIV1 reverse transcriptase K103N/Y181C double mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	2	ChEMBL_2153349 (CHEMBL5037896)	Inhibition of wild type HIV1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	3	ChEMBL_2153350 (CHEMBL5037897)	Inhibition of HIV1 reverse transcriptase L100I mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	4	ChEMBL_2153351 (CHEMBL5037898)	Inhibition of HIV1 reverse transcriptase K103N mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	5	ChEMBL_2153352 (CHEMBL5037899)	Inhibition of HIV1 reverse transcriptase Y181C mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	6	ChEMBL_2153353 (CHEMBL5037900)	Inhibition of HIV1 reverse transcriptase Y188L mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	7	ChEMBL_2153354 (CHEMBL5037901)	Inhibition of HIV1 reverse transcriptase E138K mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015028	8	ChEMBL_2153355 (CHEMBL5037902)	Inhibition of HIV1 reverse transcriptase F227L/V106A double mutant using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorimetric analysis
50015029	1	ChEMBL_2153365 (CHEMBL5037912)	Inhibition of recombinant full length human His-tagged PDK1 expressed in Baculovirus expression system in presence of ATP measured by Bradford protein assay
50015029	2	ChEMBL_2153366 (CHEMBL5037913)	Inhibition of recombinant full length human His-tagged AURA expressed in Baculovirus expression system in presence of ATP measured by Bradford protein assay
50015030	1	ChEMBL_2153463 (CHEMBL5038010)	Inhibition of wild type FGFR2 (unknown origin) (461 to 763 residues) transfected in Escherichia coli BL21(DE3) cells using Tyr04 peptide as substrate incubated for 1 hr by FRET based Z'-LYTE assay
50015030	2	ChEMBL_2153464 (CHEMBL5038011)	Inhibition of FGFR1 (unknown origin) (458 to 765 residues) transfected in Escherichia coli BL21(DE3) cells using Tyr04 peptide as substrate incubated for 1 hr by FRET based Z'-LYTE assay
50015030	3	ChEMBL_2153465 (CHEMBL5038012)	Inhibition of wild type FGFR3 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr by FRET based Z'-LYTE assay
50015030	4	ChEMBL_2153470 (CHEMBL5038017)	Inhibition of FGFR4 (unknown origin)
50015032	1	ChEMBL_2153472 (CHEMBL5038019)	Inhibition of recombinant human DDR1 (492 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50015032	2	ChEMBL_2153479 (CHEMBL5038026)	Inhibition of DDR1 in human THP-1 cells assessed as reduction in collagen induced DDR1 autophosphorylation by Western blot analysis
50015035	1	ChEMBL_2153510 (CHEMBL5038057)	Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10 mins interval
50015035	2	ChEMBL_2153514 (CHEMBL5038061)	Inhibition of hERG ion channel by Q patch-clamp method
50015035	3	ChEMBL_2153540 (CHEMBL5038087)	Inhibition of human ERG by thallium flux assay
50015039	1	ChEMBL_2153544 (CHEMBL5038091)	Inhibition of electrical eel AChE using acetylthiocholine chloride as substrate incubated for 5 mins by DTNB reagent based Ellman's method
50015039	2	ChEMBL_2153545 (CHEMBL5038092)	Inhibition of human recombinant AChE using acetylthiocholine chloride as substrate incubated for 5 mins by DTNB reagent based Ellman's method
50015039	3	ChEMBL_2153546 (CHEMBL5038093)	Inhibition of horse serum BChE incubated for 5 mins by DTNB reagent based Ellman's method
50015040	1	ChEMBL_2153613 (CHEMBL5038160)	Competitive inhibition of progesterone receptor (unknown origin) by fluorescence polarization based competition assay
50015040	2	ChEMBL_2153614 (CHEMBL5038161)	Competitive inhibition of glucocorticoid receptor (unknown origin) by fluorescence polarization based competition assay
50015041	1	ChEMBL_2153628 (CHEMBL5038175)	Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50015044	1	ChEMBL_2153726 (CHEMBL5038273)	Inhibition of human MGL expressed in human HeLa cells assessed as amount of cleaved glycerol measured after 1 hrs by flow through assay
50015045	1	ChEMBL_2153732 (CHEMBL5038279)	Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay
50015048	1	ChEMBL_2153740 (CHEMBL5038287)	Inhibition of wild type EGFR (unknown origin) measured by ELISA
50015048	2	ChEMBL_2153742 (CHEMBL5038289)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISA
50015049	1	ChEMBL_2153854 (CHEMBL5038401)	Inhibition of human ERG expressed in HEK-293 cells by patch clamp method
50015053	1	ChEMBL_2153905 (CHEMBL5038452)	Agonist activity at 5-HT2A receptor (unknown origin) by calcium flux assay
50015055	1	ChEMBL_2153906 (CHEMBL5038453)	Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay
50015055	2	ChEMBL_2153908 (CHEMBL5038455)	Inhibition of TAK1 (unknown origin) in presence of MBP as substrate by ADP-Glo assay
50015056	1	ChEMBL_2153917 (CHEMBL5038464)	Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition constant at 10 nM using SNAPtide flp6 as substrate measured after 30 mins by FRET assay
50015057	1	ChEMBL_2153967 (CHEMBL5038514)	Inhibition of human plasma kallikrein using fluorogenic substrate measured by microplate reader analysis
50015058	1	ChEMBL_2153978 (CHEMBL5038525)	Inhibition of recombinant human hepatic CYP1A2 expressed in baculovirus insect cell expression system in presence of CEC substrate measured by fluorescence plate reader assay
50015058	2	ChEMBL_2153979 (CHEMBL5038526)	Inhibition of RNA polymerase 1 in human A-375 assessed as RPA194 degradation measured after 4 hrs by Hoechst 33342 staining based assay
50015058	3	ChEMBL_2153986 (CHEMBL5038533)	Inhibition on hERG expressed in HEK293 cells by Qpatch method
50015059	1	ChEMBL_2154009 (CHEMBL5038556)	Inhibition of human coagulation factor 11 assessed as inhibition of factor 12a mediated activation measured after 60 mins by fluorescence based microplate reader assay
50015060	1	ChEMBL_2154022 (CHEMBL5038682)	Inhibition of tEGF-A[HA] binding to biotinylated human PCSK9 incubated for 2 hrs by ELISA based competitive binding assay
50015060	2	ChEMBL_2154023 (CHEMBL5038683)	Binding affinity to full length C-terminal Avi/His6-tagged human PCSK9 expressed in Expi293 cells assessed as equilibrium dissociation constant by surface plasmon resonance assay
50015060	3	ChEMBL_2154029 (CHEMBL5038689)	Binding affinity to human PCSK9 assessed as dissociation constant
50015061	1	ChEMBL_2154136 (CHEMBL5038796)	Inhibition of JAK2 (unknown origin) preincubated for 60 mins followed by reagent A addition and measured after 60 mins in presence of ATP by using microplate reader method
50015061	2	ChEMBL_2154137 (CHEMBL5038797)	Inhibition of HDAC6 (unknown origin) incubated for 60 mins by microplate reader analysis
50015061	3	ChEMBL_2154139 (CHEMBL5038799)	Inhibition of HDAC1 (unknown origin) incubated for 60 mins using microplate reader analysis
50015061	4	ChEMBL_2154140 (CHEMBL5038800)	Inhibition of HDAC3 (unknown origin) incubated for 60 mins using microplate reader analysis
50015061	5	ChEMBL_2154141 (CHEMBL5038801)	Inhibition of recombinant HDAC8 (unknown origin) using Ac-peptide-AMC as substrate incubated for 240 mins by microplate reader analysis
50015061	6	ChEMBL_2154142 (CHEMBL5038802)	Inhibition of recombinant HDAC4 (unknown origin) using Ac-peptide-AMC as substrate incubated for 240 mins by microplate reader analysis
50015061	7	ChEMBL_2154143 (CHEMBL5038803)	Inhibition of recombinant HDAC7 (unknown origin) using Ac-peptide-AMC as substrate incubated for 240 mins by microplate reader analysis
50015061	8	ChEMBL_2154144 (CHEMBL5038804)	Inhibition of recombinant HDAC10 (unknown origin) using Ac-peptide-AMC as substrate incubated for 240 mins by microplate reader analysis
50015061	9	ChEMBL_2154145 (CHEMBL5038805)	Inhibition of JAK1 (unknown origin) preincubated for 60 mins followed by reagent A addition and measured after 60 mins in presence of ATP by using microplate reader method
50015061	10	ChEMBL_2154146 (CHEMBL5038806)	Inhibition of JAK3 (unknown origin) preincubated for 60 mins followed by reagent A addition and measured after 60 mins in presence of ATP by using microplate reader method
50015061	11	ChEMBL_2154147 (CHEMBL5038807)	Inhibition of TYK2 (unknown origin) incubated for 40 min in presence of ATP by microplate reader analysis
50015062	1	ChEMBL_2154356 (CHEMBL5039016)	Inhibition of N-terminal His-tagged EZH2 in human PRC2 complex (2 to end residues) expressed in Sf9 cells using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA immunodetection assay
50015062	2	ChEMBL_2154484 (CHEMBL5039144)	Inhibition of recombinant full length human N-terminal FLAG-tagged EZH1 in PRC2 complex expressed in baculovirus system using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA immunodetection assay
50015063	1	ChEMBL_2154486 (CHEMBL5039146)	Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs followed by FITC-GDA addition and measured after 5 hrs by fluorescence polarization competitive binding assay
50015063	2	ChEMBL_2154487 (CHEMBL5039147)	Binding affinity to human HSP90-beta by fluorescence polarization competitive binding assay
50015063	3	ChEMBL_2154488 (CHEMBL5039148)	Binding affinity to GRP94 (unknown origin) by fluorescence polarization competitive binding assay
50015063	4	ChEMBL_2154489 (CHEMBL5039149)	Binding affinity to TRAP1 (unknown origin) by fluorescence polarization competitive binding assay
50015063	5	ChEMBL_2154490 (CHEMBL5039150)	Binding affinity to human HSP90-alpha N-terminal domain assessed as change in enthalpy by measuring dissociation constant at 100 uM at 25 degC by isothermal titration calorimetry
50015063	6	ChEMBL_2154495 (CHEMBL5039155)	Binding affinity to human HSP90-alpha N-terminal domain assessed as dissociation constant at 100 uM at 25 degC by isothermal titration calorimetry
50015064	1	ChEMBL_2154507 (CHEMBL5039167)	Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by TopCount scintillation counting method
50015064	2	ChEMBL_2154508 (CHEMBL5039168)	Displacement of [3H]CP55940 from mouse CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintillation counting method
50015064	3	ChEMBL_2154509 (CHEMBL5039169)	Displacement of [3H]CP55940 from human CB2 expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by TopCount scintillation counting method
50015064	4	ChEMBL_2154514 (CHEMBL5039174)	Agonist activity at 3xHA tagged human CB1 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubated for 30 mins by cAMP assay
50015064	5	ChEMBL_2154515 (CHEMBL5039175)	Agonist activity at 3xHA tagged human CB2 receptor expressed in CHO-K1 cells assessed as reduction in forskolin-stimulated cAMP accumulation incubated for 30 mins by cAMP assay
50015065	1	ChEMBL_2154523 (CHEMBL5039183)	Displacement of [3H]-DPCPX from human A1 receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay
50015065	2	ChEMBL_2154524 (CHEMBL5039184)	Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes measured after 3 hrs by radioligand binding assay
50015065	3	ChEMBL_2154525 (CHEMBL5039185)	Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay
50015065	4	ChEMBL_2154526 (CHEMBL5039186)	Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membranes measured after 3 hrs by radioligand binding assay
50015065	5	ChEMBL_2154531 (CHEMBL5039191)	Partial agonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as intrinsic activity by measuring cell index change within 60 mins by Label-Free Impedance-Based Assay
50015066	1	ChEMBL_2154533 (CHEMBL5039193)	Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assay
50015066	2	ChEMBL_2154536 (CHEMBL5039196)	Inhibition of CYP2D6 (unknown origin)
50015066	3	ChEMBL_2154540 (CHEMBL5039200)	Displacement of 3H-RL338 from human GPR6 expressed in T-REx-CHO-GPR6 cells assessed as inhibition constant by competition binding assay
50015066	4	ChEMBL_2154543 (CHEMBL5039203)	Inhibition of CYP2D6 (unknown origin) over CYP1A2
50015066	5	ChEMBL_2154547 (CHEMBL5039207)	Inhibition of human ERG
50015067	1	ChEMBL_2154638 (CHEMBL5039298)	Inhibition of recombinant LSD1 (157 to 852 residues) (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 as substrate by amplex red assay
50015067	2	ChEMBL_2154640 (CHEMBL5039300)	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50015067	3	ChEMBL_2154641 (CHEMBL5039301)	Inhibition of HDAC5 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50015067	4	ChEMBL_2154642 (CHEMBL5039302)	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence assay
50015067	5	ChEMBL_2154660 (CHEMBL5039320)	Inhibition of human recombinant MAO-A by multimode plate reader assay
50015067	6	ChEMBL_2154661 (CHEMBL5039321)	Inhibition of human recombinant MAO-B by multimode plate reader assay
50015067	7	ChEMBL_2154663 (CHEMBL5039323)	Inhibition of HDAC2 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based microplate reader analysis
50015067	8	ChEMBL_2154664 (CHEMBL5039324)	Inhibition of HDAC8 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based microplate reader analysis
50015067	9	ChEMBL_2154665 (CHEMBL5039325)	Inhibition of HDAC11 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based microplate reader analysis
50015068	1	ChEMBL_2154762 (CHEMBL5039422)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by DTNB-reagent based Ellman's method
50015068	2	ChEMBL_2154764 (CHEMBL5039424)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 2 mins by DTNB-reagent based Ellman's method
50015069	1	ChEMBL_2154818 (CHEMBL5039478)	Inhibition of alpha-glucosidase (unknown origin) preincubated for 5 mins followed by addition of pNPG substrate and measured after 30 mins by spectrophotometric method
50015070	1	ChEMBL_2154853 (CHEMBL5039513)	Binding affinity to human STING incubated for 60 mins measured by competitive TR-FRET assay
50015070	2	ChEMBL_2154863 (CHEMBL5039523)	Agonist activity at STING KO human THP-1 dual cells incubated for 20 hrs by luciferase reporter gene assay
50015070	3	ChEMBL_2154864 (CHEMBL5039524)	Agonist activity at mouse STING in THP-1 dual cells incubated for 20 hrs by luciferase reporter gene assay
50015070	4	ChEMBL_2154865 (CHEMBL5039525)	Agonist activity at STING in mouse RAW264.7 cells incubated for 20 hrs by luciferase reporter gene assay
50015071	1	ChEMBL_2154907 (CHEMBL5039567)	Inhibition of recombinant human HDAC4 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by micro plate reader analysis
50015071	2	ChEMBL_2154908 (CHEMBL5039568)	Inhibition of recombinant human HDAC8 using Boc-Lys (trifluoroacetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by micro plate reader analysis
50015071	3	ChEMBL_2154911 (CHEMBL5039571)	Partial agonist activity at Gal4-fused human PPARgamma LBD in HepG2 cells assessed as transactivation incubated for 20 hrs measured by luminometer
50015072	1	ChEMBL_2154962 (CHEMBL5039622)	Inhibition of TDP1 (unknown origin) using 5'-Cy5-GATCTAAAAGACTT-pY-3' as substrate measured after 15 mins by gel based fluorescence assay
50015078	1	ChEMBL_2155012 (CHEMBL5039672)	Inhibition of hERG
50015078	2	ChEMBL_2155037 (CHEMBL5039697)	Inhibition of human c-SRC using poly [Glu:Tyr] as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015078	3	ChEMBL_2155045 (CHEMBL5039705)	Inhibition of human FGFR1 using KKKSPGEYVNIEFG as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015078	4	ChEMBL_2155046 (CHEMBL5039706)	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015078	5	ChEMBL_2155047 (CHEMBL5039707)	Inhibition of human KDR/VEGFR2 using poly [Glu:Tyr] as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015078	6	ChEMBL_2155048 (CHEMBL5039708)	Inhibition of human LYN using poly [Glu:Tyr] as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015078	7	ChEMBL_2155049 (CHEMBL5039709)	Inhibition of human PDGFRa using poly [Glu:Tyr] as substrate incubated for 30 mins followed by 33P-ATP addition and measured after 2 hrs by liquid scintillation counter method
50015079	1	ChEMBL_2155052 (CHEMBL5039712)	Agonist activity at TLR2 in HEK-Blue cells incubated for 24 hrs by Quanti-Blue based SEAP assay
50015079	2	ChEMBL_2155069 (CHEMBL5039729)	Binding affinity to recombinant human TLR2 expressed in H5 cells by surface plasmon resonance method
50015080	1	ChEMBL_2155110 (CHEMBL5039770)	Displacement of [3H] D-lysergic acid diethylamide from 5-HT7R (unknown origin) transfected in HEK293 cells incubated for 1.5 hrs by microbeta scintillation counter analysis
50015080	2	ChEMBL_2155111 (CHEMBL5039771)	Agonist activity at human 5-HT7R transfected in HEK293 cells assessed as Gs-mediated cAMP accumulation incubated for 30 mins by microplate reader analysis
50015080	3	ChEMBL_2155112 (CHEMBL5039772)	Agonist activity at 5-HT7R (unknown origin) transfected in HEK293 cells expressing tTA-dependent luciferase reporter and beta arrestin 2-TEV fusion gene assessed as beta arrestin recruitment incubated for 22 hrs by Tango assay
50015080	4	ChEMBL_2155115 (CHEMBL5039775)	Binding affinity to 5-HT1AR (unknown origin)
50015080	5	ChEMBL_2155116 (CHEMBL5039776)	Binding affinity to 5-HT1BR (unknown origin)
50015080	6	ChEMBL_2155117 (CHEMBL5039777)	Binding affinity to 5-HT1DR (unknown origin)
50015080	7	ChEMBL_2155118 (CHEMBL5039778)	Binding affinity to 5-HT1ER (unknown origin)
50015080	8	ChEMBL_2155119 (CHEMBL5039779)	Binding affinity to 5-HT2AR (unknown origin)
50015080	9	ChEMBL_2155120 (CHEMBL5039780)	Binding affinity to 5-HT2BR (unknown origin)
50015080	10	ChEMBL_2155121 (CHEMBL5039781)	Binding affinity to 5-HT2CR (unknown origin)
50015080	11	ChEMBL_2155122 (CHEMBL5039782)	Binding affinity to 5-HT3R (unknown origin)
50015080	12	ChEMBL_2155123 (CHEMBL5039783)	Binding affinity to 5-HT5AR (unknown origin)
50015080	13	ChEMBL_2155124 (CHEMBL5039784)	Binding affinity to 5-HT6R (unknown origin)
50015081	1	ChEMBL_2155219 (CHEMBL5039879)	Binding affinity to CM5 sensor chip immobilized recombinant full-length TRBP (unknown origin) assessed as dissociation constant by SPR analysis
50015082	1	ChEMBL_2155247 (CHEMBL5039907)	Inhibition of human ROMK expressed in CHO cells by whole cell voltage clamp electrophysiology assay
50015082	2	ChEMBL_2155248 (CHEMBL5039908)	Inhibition of human ERG expressed in HEK-293 cells by voltage clamp electrophysiology assay
50015082	3	ChEMBL_2155251 (CHEMBL5039911)	Inhibition of rat Kir1.1 expressed in HEK293 cells by electrophysiology assay
50015082	4	ChEMBL_2155294 (CHEMBL5039954)	Inhibition of Kir4.1 (unknown origin)
50015082	5	ChEMBL_2155295 (CHEMBL5039955)	Inhibition of Kir7.1 (unknown origin)
50015082	6	ChEMBL_2155296 (CHEMBL5039956)	Inhibition of Nav1.5 (unknown origin)
50015082	7	ChEMBL_2155297 (CHEMBL5039957)	Inhibition of Cav1.2 (unknown origin)
50015082	8	ChEMBL_2155298 (CHEMBL5039958)	Inhibition of CYP3A4 (unknown origin)
50015082	9	ChEMBL_2155299 (CHEMBL5039959)	Inhibition of CYP2D6 (unknown origin)
50015082	10	ChEMBL_2155300 (CHEMBL5039960)	Inhibition of CYP2C8 (unknown origin)
50015082	11	ChEMBL_2155301 (CHEMBL5039961)	Inhibition of CYP2C9 (unknown origin)
50015086	1	ChEMBL_2155325 (CHEMBL5039985)	Binding affinity to recombinant human His/GST tagged EFGR (668 to 1220 residues) expressed in baculovirus infected cells assessed as dissociation constant incubated for 30 mins by microscale thermophoresis analysis
50015086	2	ChEMBL_2155326 (CHEMBL5039986)	Binding affinity to human GST-tagged PARP-1 ART domain (788 to 1014 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 30 mins by microscale thermophoresis analysis
50015087	1	ChEMBL_2155335 (CHEMBL5039995)	Agonist activity at NOD2 in HEK-Blue hNOD2 cells assessed as increase in NFkappaB transactivation-mediated SEAP activity measured after 18 hrs by spectrophotometric method
50015090	1	ChEMBL_2155360 (CHEMBL5040020)	Inhibition of human cGAS expressed in THP1-Dual cells transfected with HT-DNA assessed as suppression of lipofectamine 2000:ds-DNA complex induced activation of cGAS incubated for 1 hr by Quanti-luc reagent based assay
50015090	2	ChEMBL_2155362 (CHEMBL5040022)	Inhibition of mouse cGAS expressed in RAW-Lucia ISG transfected with HT-DNA assessed as suppression of lipofectamine 2000:ds-DNA complex induced activation of cGAS incubated for 1 hr by Quanti-luc reagent based assay
50015090	3	ChEMBL_2155375 (CHEMBL5040035)	Inhibition of human cGAS incubated for 1 hr followed by Cy5-labeled cGAMP addition and measured after 1 hr by fluorescence polarization assay
50015090	4	ChEMBL_2155376 (CHEMBL5040036)	Binding affinity to human cGAS assessed as dissociation constant
50015090	5	ChEMBL_2155377 (CHEMBL5040037)	Inhibition of human cGAS assessed as reduction in 2,3-cGAMP synthesis by measuring ATP consumption incubated for 20 mins by Kinase Glo luminescence assay
50015090	6	ChEMBL_2155378 (CHEMBL5040038)	Inhibition of human cGAS
50015090	7	ChEMBL_2155379 (CHEMBL5040039)	Inhibition of mouse cGAS
50015091	1	ChEMBL_2155447 (CHEMBL5040107)	Inhibition of recombinant human GST tagged truncated LRRK2 G2019S mutant using fluorescein-labeled LRRKtide as substrate in presence of ATP preincubated for 50 mins followed by anti-phospho-LRRKtide antibody addition and measured after 30 mins by TR-FRET based Lanthascreen kinase activity assay
50015091	2	ChEMBL_2155448 (CHEMBL5040108)	Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay
50015091	3	ChEMBL_2155449 (CHEMBL5040109)	Inhibition of recombinant human LRRK2 WT using fluorescein-labeled LRRKtide as substrate in presence of ATP preincubated for 50 mins followed by anti-phospho-LRRKtide antibody addition and measured after 30 mins by TR-FRET based Lanthascreen kinase activity assay
50015091	4	ChEMBL_2155450 (CHEMBL5040110)	Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assay
50015091	5	ChEMBL_2155456 (CHEMBL5040116)	Inhibition of LRRK2-pSer935 in LRRK2 G2019S mutant expressing human HEK293 cells and measured after 48 hrs by ICW assay
50015091	6	ChEMBL_2155457 (CHEMBL5040117)	Inhibition of LRRK2-pSer935 in LRRK2 WT expressing human HEK293 cells and measured after 48 hrs by ICW assay
50015091	7	ChEMBL_2155467 (CHEMBL5040127)	Binding affinity to human LRRK2 WT expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEscan assay
50015091	8	ChEMBL_2155468 (CHEMBL5040128)	Binding affinity to human LRRK2 (H970/E2527) G2019S mutant expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEscan assay
50015091	9	ChEMBL_2155470 (CHEMBL5040130)	Binding affinity to human FLT3 ITD, D835V (V592/Y969) mutant expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEscan assay
50015091	10	ChEMBL_2155471 (CHEMBL5040131)	Binding affinity to human PIK4CB (M1/M828) WT expressed in mammalian system assessed as dissociation constant measured at 1 uM by DiscoveRx KINOMEscan assay
50015091	11	ChEMBL_2155472 (CHEMBL5040132)	Inhibition of LRRK2 WT expressed in human PBMCs measured by KiNativ profiling analysis
50015091	12	ChEMBL_2155473 (CHEMBL5040133)	Inhibition of MAP3K1 expressed in human PBMCs measured by KiNativ profiling analysis
50015091	13	ChEMBL_2155476 (CHEMBL5040136)	Inhibition of LRRK2-WT-pSER935 in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blotting
50015091	14	ChEMBL_2155477 (CHEMBL5040137)	Inhibition of LRRK2-WT in C57BL/6 mouse brain at 10 to 150 mg/kg and measured after 1 hrs by western blotting
50015092	1	ChEMBL_2155531 (CHEMBL5040191)	Binding affinity to menin (unknown origin) incubated for 1 hr by fluorescence polarization-based competitive binding assay
50015093	1	ChEMBL_2155612 (CHEMBL5040272)	Antagonist activity at NK1R (unknown origin) in presence of endogenous SP ligand preincubated for 10 mins followed by 30 min incubation with antagonist and SP by HTRF-FRET assay
50015093	2	ChEMBL_2155615 (CHEMBL5040275)	Displacement of [125I]SP from human NK1R expressed in U373 MG cells incubated for 30 mins by radioligand binding assay
50015093	3	ChEMBL_2155616 (CHEMBL5040276)	Displacement of [125I]SP from human NK1R expressed in U373 MG cells assessed as inhibitory constant incubated for 30 mins by radioligand binding assay
50015095	1	ChEMBL_2155618 (CHEMBL5040278)	Binding affinity to human PCSK9 by surface plasmon resonance
50015095	2	ChEMBL_2155619 (CHEMBL5040279)	Inhibition of human PCSK9
50015096	1	ChEMBL_2155625 (CHEMBL5040285)	Inhibition of SARS-COV2 S-RBD binding to human ACE2 expressed in HEK293T cells using FMZ as substrate by NanoLuc luciferase assay
50015096	2	ChEMBL_2155628 (CHEMBL5040288)	Binding affinity to recombinant SARS-COV2 S-RBD incubated for 5 mins by microscale thermophoresis analysis
50015096	3	ChEMBL_2155629 (CHEMBL5040289)	Inhibition of SARS-COV2 S-RBD binding to human ACE2 by ITC assay
50015096	4	ChEMBL_2155630 (CHEMBL5040290)	Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells
50015096	5	ChEMBL_2155631 (CHEMBL5040291)	Binding affinity of SARS-COV2 S-RBD by BLI assay
50015096	6	ChEMBL_2155637 (CHEMBL5040297)	Binding affinity to biotinylated recombinant SARS-COV2 S-RBD by SPR analysis
50015097	1	ChEMBL_2155670 (CHEMBL5040330)	Binding affinity to human chymotrypsin assessed as inhibition constant using 3-Carbomethoxypropionyl-L-arginyl-Lprolyl-L-tyrosine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	2	ChEMBL_2155676 (CHEMBL5040336)	Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant measured upto 120 mins by spectrophotometric analysis
50015097	3	ChEMBL_2155706 (CHEMBL5040366)	Binding affinity to recombinant human coagulation factor 7a assessed as inhibition constant using N-alpha-Benzyloxycarbonyl-D-arginyl-glycyl-Larginine p-Nitroaniline as substrate measured upto 120 mins by coupled enzyme assay
50015097	4	ChEMBL_2155707 (CHEMBL5040367)	Binding affinity to human coagulation factor 9a assessed as inhibition constant using Methylsulfonyl-D-cyclohexylglycyl-glycylarginine 7-amino-4-methylcoumarin as substrate measured upto 120 mins by spectrofluorometric analysis
50015097	5	ChEMBL_2155708 (CHEMBL5040368)	Binding affinity to human coagulation factor 10a assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroaniline and its gamma glutamyl methyl ester as substrate measured upto 120 mins by spectrophotometric analysis
50015097	6	ChEMBL_2155709 (CHEMBL5040369)	Binding affinity to human coagulation factor 12a assessed as inhibition constant using H-D-Cyclohexylalanyl-glycyl-arginyl p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	7	ChEMBL_2155710 (CHEMBL5040370)	Binding affinity to human plasma kallikrein assessed as inhibition constant using H-D-Prolyl-L-phenylalanyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	8	ChEMBL_2155711 (CHEMBL5040371)	Binding affinity to human tissue kallikrein-1 assessed as inhibition constant using H-D-Valyl-L-leucyl-L-arginine 7-amino-4-trifluoromethylcoumarin as substrate measured upto 120 mins by spectrofluorometric analysis
50015097	9	ChEMBL_2155712 (CHEMBL5040372)	Binding affinity to human thrombin assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	10	ChEMBL_2155713 (CHEMBL5040373)	Binding affinity to human trypsin assessed as inhibition constant using N-Benzoyl-L-isoleucyl-L-glutamyl-glycyl-Larginine p-Nitroaniline and its gamma glutamyl methyl ester as substrate measured upto 120 mins by spectrophotometric analysis
50015097	11	ChEMBL_2155714 (CHEMBL5040374)	Binding affinity to human activated protein C assessed as inhibition constant using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	12	ChEMBL_2155715 (CHEMBL5040375)	Binding affinity to human plasmin assessed as inhibition constant using H-D-Valyl-L-leucyl-L-lysine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	13	ChEMBL_2155716 (CHEMBL5040376)	Binding affinity to human tissue type plasminogen assessed as inhibition constant using Methanesulfonyl-D-Cyclohexylalanyl-glycylarginine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	14	ChEMBL_2155717 (CHEMBL5040377)	Binding affinity to human urokinase assessed as inhibition constant using L-Pyroglutamyl-glycyl-L-arginine p-Nitroaniline as substrate upto 120 mins by spectrophotometric analysis
50015097	15	ChEMBL_2155718 (CHEMBL5040378)	Binding affinity to human neutrophil elastase assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	16	ChEMBL_2155719 (CHEMBL5040379)	Binding affinity to human neutrophil cathepsin G assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-Lphenylalanine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	17	ChEMBL_2155720 (CHEMBL5040380)	Binding affinity to human neutrophil proteinase 3 assessed as inhibition constant using Methoxysuccinyl-L-alanyl-L-alanyl-L-prolylL-valine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015097	18	ChEMBL_2155721 (CHEMBL5040381)	Binding affinity to human mast cell chymase assessed as inhibition constant using Succinyl-L-alanyl-L-alanyl-L-prolyl-L phenylalanine p-Nitroaniline as substrate measured upto 120 mins by spectrophotometric analysis
50015103	1	ChEMBL_2155733 (CHEMBL5040393)	Agonist activity at FPRL1 (unknown origin) expressed in CHO-K1 cells assessed as increase in calcium mobilization incubated for 2.5 hrs by cellular based FLIPR assay
50015103	2	ChEMBL_2155734 (CHEMBL5040394)	Agonist activity at FPRL1 (unknown origin) expressed in CHO-K1 cells assessed as stimulation of beta-arrestin recruitment incubated for 150 mins by beta-galactosidase based PathHunter assay
50015103	3	ChEMBL_2155735 (CHEMBL5040395)	Agonist activity at human FPR1 expressed in HEK293-A cells assessed as ERK phosphorylation level incubated for 5 mins by ELISA assay
50015103	4	ChEMBL_2155736 (CHEMBL5040396)	Agonist activity at human FPR2 expressed in HEK293-A cells assessed as ERK phosphorylation level incubated for 5 mins by ELISA assay
50015105	1	ChEMBL_2155839 (CHEMBL5040499)	Inhibition of human topoisomerase 2 alpha mediated supercoiled pBR322 DNA relaxation by ethidium bromide staining based agarose gel electrophoresis
50015109	1	ChEMBL_2155874 (CHEMBL5040534)	Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis
50015112	1	ChEMBL_2156027 (CHEMBL5040687)	Inhibition of recombinant human Glyoxalase-2 assessed as reduction of substrate level using S-D-lactoylglutathione as substrate by spectrophotometric method
50015113	1	ChEMBL_2156053 (CHEMBL5040713)	Binding affinity to recombinant GSK3beta (unknown origin) assessed as dissociation rate constant upto 0.00975 uM by SPR analysis
50015114	1	ChEMBL_2156092 (CHEMBL5040752)	Inhibition of PD-1/PDL-1 (unknown origin) binding
50015114	2	ChEMBL_2156093 (CHEMBL5040753)	Inhibition of human recombinant PD-1/PDL-1 interaction measured by HTRF assay
50015118	1	ChEMBL_2156127 (CHEMBL5040787)	Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader method
50015118	2	ChEMBL_2156128 (CHEMBL5040788)	Binding affinity to SETD2 (unknown origin) by surface plasmon resonance
50015118	3	ChEMBL_2156129 (CHEMBL5040789)	Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assay
50015118	4	ChEMBL_2156134 (CHEMBL5040794)	Inhibition of CYP2C19 in human liver microsomes using (s)-Mephenytoin as substrate by LC-MS/MS analysis
50015118	5	ChEMBL_2156135 (CHEMBL5040795)	Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate by LC-MS/MS analysis
50015118	6	ChEMBL_2156136 (CHEMBL5040796)	Inhibition of CYP2B6 in human liver microsomes using Bupropion as substrate by LC-MS/MS analysis
50015118	7	ChEMBL_2156137 (CHEMBL5040797)	Inhibition of CYP2C8 in human liver microsomes using Paclitaxel as substrate by LC-MS/MS analysis
50015118	8	ChEMBL_2156138 (CHEMBL5040798)	Inhibition of CYP2C9 in human liver microsomes using Tolbutamide as substrate by LC-MS/MS analysis
50015118	9	ChEMBL_2156139 (CHEMBL5040799)	Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate by LC-MS/MS analysis
50015118	10	ChEMBL_2156140 (CHEMBL5040800)	Inhibition of CYP3A4 in human liver microsomes using Midazolam as substrate by LC-MS/MS analysis
50015118	11	ChEMBL_2156141 (CHEMBL5040801)	Inhibition of hERG (unknown origin)
50015119	1	ChEMBL_2156182 (CHEMBL5040842)	Inhibition of AChE (unknown origin)
50015120	1	ChEMBL_2156246 (CHEMBL5040906)	Inhibition of CYP51 in Candida albicans ATCC SC5314 measured after 30 mins by HPLC analysis
50015121	1	ChEMBL_2156258 (CHEMBL5040918)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015121	2	ChEMBL_2156259 (CHEMBL5040919)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015121	3	ChEMBL_2156260 (CHEMBL5040920)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015121	4	ChEMBL_2156261 (CHEMBL5040921)	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015124	1	ChEMBL_2156351 (CHEMBL5041011)	Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using kDNA as substrate incubated for 30 mins by fluorimetric assay
50015124	2	ChEMBL_2156352 (CHEMBL5041012)	Inhibition of Escherichia coli DNA gyrase supercoiling activity using pBR322 as substrate incubated for 30 mins by fluorimetric assay
50015126	1	ChEMBL_2156357 (CHEMBL5041017)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015126	2	ChEMBL_2156358 (CHEMBL5041018)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015126	3	ChEMBL_2156359 (CHEMBL5041019)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015126	4	ChEMBL_2156360 (CHEMBL5041020)	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015127	1	ChEMBL_2156370 (CHEMBL5041030)	Inhibition of human recombinant cRAF measured after 60 mins by TR-FRET assay
50015127	2	ChEMBL_2156378 (CHEMBL5041038)	Inhibition of human recombinant wild type BRAF measured after 60 mins by TR-FRET assay
50015127	3	ChEMBL_2156379 (CHEMBL5041039)	Inhibition of human recombinant BRAF V600E mutant measured after 60 mins by TR-FRET assay
50015127	4	ChEMBL_2156392 (CHEMBL5041052)	Inhibition of human ERG
50015127	5	ChEMBL_2156393 (CHEMBL5041053)	Inhibition of CYP1A2 (unknown origin)
50015127	6	ChEMBL_2156394 (CHEMBL5041054)	Inhibition of CYP2C9 (unknown origin)
50015127	7	ChEMBL_2156395 (CHEMBL5041055)	Inhibition of CYP2C19 (unknown origin)
50015127	8	ChEMBL_2156396 (CHEMBL5041056)	Inhibition of CYP2D6 (unknown origin)
50015127	9	ChEMBL_2156397 (CHEMBL5041057)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50015127	10	ChEMBL_2156398 (CHEMBL5041058)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50015128	1	ChEMBL_2156480 (CHEMBL5041140)	Agonist activity at rat GluN1/GluN2A NMDA receptor expressed in Xenopus oocytes measured after 4 days in presence of L-glutamte by two-electrode voltage-clamp recording assay
50015128	2	ChEMBL_2156481 (CHEMBL5041141)	Agonist activity at rat GluN1/GluN2B NMDA receptor expressed in Xenopus oocytes measured after 4 days in presence of L-glutamte by two-electrode voltage-clamp recording assay
50015128	3	ChEMBL_2156482 (CHEMBL5041142)	Agonist activity at rat GluN1/GluN2C NMDA receptor expressed in Xenopus oocytes measured after 4 days in presence of L-glutamte by two-electrode voltage-clamp recording assay
50015128	4	ChEMBL_2156483 (CHEMBL5041143)	Agonist activity at rat GluN1/GluN2D NMDA receptor expressed in Xenopus oocytes measured after 4 days in presence of L-glutamte by two-electrode voltage-clamp recording assay
50015131	1	ChEMBL_2156508 (CHEMBL5041168)	Inhibition of human CA1 incubated for 15 mins prior to testing by phenol red dye based stopped flow CO2 hydration assay
50015131	2	ChEMBL_2156509 (CHEMBL5041169)	Inhibition of human CA2 incubated for 15 mins prior to testing by phenol red dye based stopped flow CO2 hydration assay
50015131	3	ChEMBL_2156510 (CHEMBL5041170)	Inhibition of human CA4 incubated for 15 mins prior to testing by phenol red dye based stopped flow CO2 hydration assay
50015131	4	ChEMBL_2156511 (CHEMBL5041171)	Inhibition of human CA9 incubated for 15 mins prior to testing by phenol red dye based stopped flow CO2 hydration assay
50015132	1	ChEMBL_2156515 (CHEMBL5041175)	Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measured after 20 mins
50015132	2	ChEMBL_2156516 (CHEMBL5041176)	Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assay
50015133	1	ChEMBL_2156548 (CHEMBL5041208)	Inhibition of human Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by Qube-automated patch clamp assay
50015133	2	ChEMBL_2156549 (CHEMBL5041209)	Inhibition of human Nav1.4 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell Qube-automated patch clamp assay
50015133	3	ChEMBL_2156550 (CHEMBL5041210)	Inhibition of human Nav1.6 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -85 mV by whole-cell Qube-automated patch clamp assay
50015133	4	ChEMBL_2156551 (CHEMBL5041211)	Inhibition of human Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by whole-cell QPatch HT assay
50015133	5	ChEMBL_2156552 (CHEMBL5041212)	Inhibition of rat Nav1.7 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -90 mV by whole-cell QPatch HT assay
50015133	6	ChEMBL_2156553 (CHEMBL5041213)	Inhibition of human Nav1.2 stably expressed in cells with train pulses to -20 mV at 0.1 Hz and holding potential of -95 mV by Qube-automated patch clamp assay
50015133	7	ChEMBL_2156554 (CHEMBL5041214)	Inhibition of human Cav1.2 stably expressed in HEK293 cells incubated for 30 mins in dark by Fluo-4 AM dye based FLIPR assay
50015133	8	ChEMBL_2156555 (CHEMBL5041215)	Inhibition of human ERG by PatchXpress assay
50015133	9	ChEMBL_2156556 (CHEMBL5041216)	Inhibition of human Nav1.5 by PatchXpress assay
50015134	1	ChEMBL_2156569 (CHEMBL5041229)	Inhibition of human Notum (81 to 451 Cys330Ser) using OPTS as substrate incubated for 40 mins by fluorescence based assay
50015134	2	ChEMBL_2156570 (CHEMBL5041230)	Inhibition of Notum (81 to 451 Cys330Ser) in HEK293T cells expressing TCF-LEF assessed as activation of Wnt signaling using WNT3A as substrate incubated for 16 to 20 mins by Steady-Glo luciferase assay
50015134	3	ChEMBL_2156589 (CHEMBL5041249)	Inhibition of C-terminal His-tagged Notum (Ser81-Thr451 Cys330Ser) (unknown origin) using OPTS as substrate by fluorescence based assay
50015134	4	ChEMBL_2156590 (CHEMBL5041250)	Inhibition of C-terminal His-tagged Notum (Ser81-Thr451 Cys330Ser) (unknown origin) assessed as restoration of Wnt/beta catenin signalling activated by exogenous recombinant Wnt by TCF/LCF reporter assay
50015135	1	ChEMBL_2156719 (CHEMBL5041379)	Inhibition of CDK6 (unknown origin) by TR-FRET analysis
50015135	2	ChEMBL_2156720 (CHEMBL5041380)	Inhibition of PIM1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA peptide substrate incubated for 2 hrs by by electrophoretic mobility change analysis
50015135	3	ChEMBL_2156724 (CHEMBL5041384)	Inhibition of PIM2 (unknown origin)
50015135	4	ChEMBL_2156725 (CHEMBL5041385)	Inhibition of PIM3 (unknown origin)
50015135	5	ChEMBL_2156726 (CHEMBL5041386)	Inhibition of CDK1/CyclinA (unknown origin)
50015135	6	ChEMBL_2156727 (CHEMBL5041387)	Inhibition of CDK2/cyclin A (unknown origin)
50015135	7	ChEMBL_2156728 (CHEMBL5041388)	Inhibition of CDK3/cyclin E (unknown origin)
50015135	8	ChEMBL_2156729 (CHEMBL5041389)	Inhibition of CDK4/cyclin D1 (unknown origin)
50015135	9	ChEMBL_2156731 (CHEMBL5041391)	Inhibition of CDK7/cyclinH/MAT1 (unknown origin)
50015135	10	ChEMBL_2156732 (CHEMBL5041392)	Inhibition of CDK9/cyclin T (unknown origin)
50015135	11	ChEMBL_2156733 (CHEMBL5041393)	Inhibition of CDK12/cyclin-K (unknown origin)
50015135	12	ChEMBL_2156734 (CHEMBL5041394)	Inhibition of CDK13/cyclin-K (unknown origin)
50015139	1	ChEMBL_2156785 (CHEMBL5041445)	Potentiation of rat KCa2.2a expressed in HEK293 cells at -90 mV holding potential measured at 1 to 2 days by patch clamp electrophysiology
50015139	2	ChEMBL_2156788 (CHEMBL5041448)	Potentiation of human KCa2.3 expressed in HEK293 cells at -90 mV holding potential measured at 1 to 2 days by patch clamp electrophysiology relative to calcium
50015139	3	ChEMBL_2156791 (CHEMBL5041451)	Potentiation of human KCa2.3 expressed in HEK293 cells at -90 mV holding potential measured at 1 to 2 days by patch clamp electrophysiology
50015139	4	ChEMBL_2156792 (CHEMBL5041452)	Potentiation of rat KCa2.2a expressed in HEK293 cells assessed as increase in calcium response at -90 mV holding potential measured at 1 to 2 days by patch clamp electrophysiology
50015140	1	ChEMBL_2156794 (CHEMBL5041454)	Inhibition of TAM-3Y-F2Pmp peptide binding to N-terminal His6-fused STEP32 (282 to 563 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) measured for 30 mins by fluorescence polarization method
50015140	2	ChEMBL_2156795 (CHEMBL5041455)	Inhibition of TAM-3Y-F2Pmp peptide binding to N-terminal His6-fused STEP32 (282 to 563 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) by SPR analysis
50015143	1	ChEMBL_2156908 (CHEMBL5041568)	Agonist activity at human APJ expressed in HEK293 cell membrane assessed as dissociation of G alphai1 from the G beta gamma subunit by BRET-based G protein dissociation assay
50015143	2	ChEMBL_2156909 (CHEMBL5041569)	Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by scintillation counting method
50015143	3	ChEMBL_2156910 (CHEMBL5041570)	Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human wildtype APJ expressed in HEK293 cell membranes incubated for 1 hr by scintillation counting method
50015143	4	ChEMBL_2156911 (CHEMBL5041571)	Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human APJ E20A mutant expressed in HEK293 cell membranes incubated for 1 hr by scintillation counting method
50015143	5	ChEMBL_2156912 (CHEMBL5041572)	Inhibition [125I]-[Nle75,Tyr77][Pyr1]-Ape13 binding to YFP-tagged human APJ D32A mutant expressed in HEK293 cell membranes incubated for 1 hr by scintillation counting method
50015143	6	ChEMBL_2156913 (CHEMBL5041573)	Agonist activity at human APJ expressed in HEK293 cell membrane assessed as recruitment of PDZ-RhoGEF Galpha12 to cell membrane by BRET-based G protein dissociation assay
50015143	7	ChEMBL_2156914 (CHEMBL5041574)	Agonist activity at human APJ expressed in HEK293 cells assessed as recruitment of beta-arrestin2 to receptor by BRET-based beta-arrestin2 assay
50015144	1	ChEMBL_2156967 (CHEMBL5041627)	Inhibition of 5-LO in thapsigargin stimulated human PMNL cells assessed as reduction in 5-LO product level preincubated for 5 mins followed by thapsigargin addition and measured after 15 mins by RP-HPLC analysis
50015147	1	ChEMBL_2156968 (CHEMBL5041628)	Inhibition of human neutrophil elastase incubated for 40 mins in presence of Boc-Gln-Ala-Arg-AMC by fluorescence microtiter plate method
50015147	2	ChEMBL_2156971 (CHEMBL5041631)	Inhibition of human neutrophil elastase
50015150	1	ChEMBL_2156998 (CHEMBL5041658)	Inhibition of hERG expressed in HEK cells by patch clamp method
50015150	2	ChEMBL_2156999 (CHEMBL5041659)	Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method
50015150	3	ChEMBL_2157000 (CHEMBL5041660)	Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method
50015150	4	ChEMBL_2157019 (CHEMBL5041679)	Inhibition of CYP3A4 in human liver microsomes pre-incubated for 30 min in presence of NADPH by LC-LS/MS analysis
50015155	1	ChEMBL_2157062 (CHEMBL5041722)	Inhibition of human CYP2D6 by fluorescence plate reader analysis
50015155	2	ChEMBL_2157063 (CHEMBL5041723)	Inhibition of Cathepsin D (unknown origin)
50015155	3	ChEMBL_2157065 (CHEMBL5041725)	Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay
50015155	4	ChEMBL_2157068 (CHEMBL5041728)	Inhibition of hERG expressed in HEK293 cells at -80 mV holding potential by automated patch-clamp method
50015155	5	ChEMBL_2157070 (CHEMBL5041730)	Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandwich ELISA
50015155	6	ChEMBL_2157079 (CHEMBL5041739)	Inhibition of human CYP3A4 by fluorescence plate reader analysis
50015155	7	ChEMBL_2157117 (CHEMBL5041777)	Inhibition of BACE2 (unknown origin)
50015155	8	ChEMBL_2157118 (CHEMBL5041778)	Inhibition of human CYP3A4 using testosterone as substrate by fluorescence plate reader analysis
50015155	9	ChEMBL_2157119 (CHEMBL5041779)	Inhibition of human CYP3A4 using midazolam as substrate by fluorescence plate reader analysis
50015155	10	ChEMBL_2157122 (CHEMBL5041782)	Inhibition of human CYP1A2 by fluorescence plate reader analysis
50015155	11	ChEMBL_2157123 (CHEMBL5041783)	Inhibition of human CYP2C8 by fluorescence plate reader analysis
50015155	12	ChEMBL_2157124 (CHEMBL5041784)	Inhibition of human CYP2C9 by fluorescence plate reader analysis
50015155	13	ChEMBL_2157125 (CHEMBL5041785)	Inhibition of human CYP2C19 by fluorescence plate reader analysis
50015155	14	ChEMBL_2157126 (CHEMBL5041786)	Time dependent inhibition of human CYP3A4 using testosterone as substrate by fluorescence plate reader analysis
50015157	1	ChEMBL_2157143 (CHEMBL5041803)	Inhibition of HPK1 in human Jurkat E6.1 cells assessed as SLP76 phosphorylation incubated for 30 mins followed by anti-CD3, biotinylated anti-SLP76 and TMB substrate addition measured after 3 hrs by ELISA assay
50015157	2	ChEMBL_2157144 (CHEMBL5041804)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by TDI- high-throughput based mass spectrometry method
50015157	3	ChEMBL_2157149 (CHEMBL5041809)	Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase binding assay
50015157	4	ChEMBL_2157159 (CHEMBL5041819)	Inhibition of HPK1 (unknown origin) preincubated for 30 mins with compound followed by Biotin-SLP-76 substrate in presence of ATP incubated for 60 mins measured after 1 hr by TR-FRET based HTRF enzymatic assay
50015157	5	ChEMBL_2157160 (CHEMBL5041820)	Inhibition of Abl I (unknown origin)
50015158	1	ChEMBL_2157173 (CHEMBL5041833)	Inhibition of wild type HIV-1 reverse transcriptase using biotin-labelled dNTPs as substrate incubated for 2 hrs by ELISA
50015159	1	ChEMBL_2157198 (CHEMBL5041858)	Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and measured after 30 min by fluorescence spectrophotometer analysis
50015159	2	ChEMBL_2157199 (CHEMBL5041859)	Inhibition of placental alpha-L-fucosidase (unknown origin)
50015159	3	ChEMBL_2157205 (CHEMBL5041865)	Inhibition of Sucrase (unknown origin)
50015159	4	ChEMBL_2157211 (CHEMBL5041871)	Inhibition of rat intestinal sucrase
50015166	1	ChEMBL_2157215 (CHEMBL5041875)	Inhibition of human recombinant soluble CD73 assessed as inhibition constant by radiometric assay
50015166	2	ChEMBL_2157216 (CHEMBL5041876)	Inhibition of human soluble CD73 assessed as inhibition constant
50015167	1	ChEMBL_2157241 (CHEMBL5041901)	Binding affinity to human TTK expressed in bacterial expression system assessed as dissociation constant at 100 nM by biochemical assay
50015170	1	ChEMBL_2157259 (CHEMBL5041919)	Displacement of 5-FITC-(Acp)-Bth-D-pThr-Pip-2-NaI-Q from N-terminal-GST-fused human Pin1 expressed in Escherichia coli BL21(DE3) incubated for 12 hrs by fluorescence polarization assay
50015172	1	ChEMBL_2157282 (CHEMBL5041942)	Inhibition of JAK1 (unknown origin)
50015172	2	ChEMBL_2157283 (CHEMBL5041943)	Inhibition of JAK2 (unknown origin)
50015172	3	ChEMBL_2157284 (CHEMBL5041944)	Inhibition of JAK3 (unknown origin)
50015172	4	ChEMBL_2157285 (CHEMBL5041945)	Inhibition of TYK2 (unknown origin)
50015172	5	ChEMBL_2157298 (CHEMBL5041958)	Inhibition of TYK2/JAK1 signalling in human PBMC assessed as inhibition of INF-alpha stimulated phosphorylation of STAT3 preincubated for 60 mins followed by IFN-alpha stimulation for 20 mins by flow cytometry analysis
50015172	6	ChEMBL_2157299 (CHEMBL5041959)	Inhibition of TYK2/JAK1 signalling in human PBMC assessed as inhibition of IL-10 stimulated phosphorylation of STAT3 preincubated for 60 mins followed by IL-10 stimulation for 20 mins by flow cytometry analysis
50015172	7	ChEMBL_2157300 (CHEMBL5041960)	Inhibition of JAK1/JAK3 signalling in human PBMC assessed as inhibition of IL-21 stimulated phosphorylation of STAT3 preincubated for 60 mins followed by IL-21 stimulation for 20 mins by flow cytometry analysis
50015172	8	ChEMBL_2157301 (CHEMBL5041961)	Inhibition of JAK2/TYK2 signalling in human PBMC assessed as inhibition of IL-23 stimulated phosphorylation of STAT3 preincubated for 60 mins followed by IL-23 stimulation for 20 mins by flow cytometry analysis
50015172	9	ChEMBL_2157302 (CHEMBL5041962)	Inhibition of JAK1/JAK2 signalling in human PBMC assessed as inhibition of IL-27 stimulated phosphorylation of STAT3 preincubated for 60 mins followed by IL-27 stimulation for 20 mins by flow cytometry analysis
50015172	10	ChEMBL_2157303 (CHEMBL5041963)	Inhibition of CYP1A2 (unknown origin)
50015172	11	ChEMBL_2157304 (CHEMBL5041964)	Inhibition of CYP2C9 (unknown origin)
50015172	12	ChEMBL_2157305 (CHEMBL5041965)	Inhibition of CYP2C19 (unknown origin)
50015172	13	ChEMBL_2157306 (CHEMBL5041966)	Inhibition of CYP2D6 (unknown origin)
50015172	14	ChEMBL_2157307 (CHEMBL5041967)	Inhibition of CYP2E1 (unknown origin)
50015172	15	ChEMBL_2157308 (CHEMBL5041968)	Inhibition of CYP3A4 (unknown origin)
50015175	1	ChEMBL_2157369 (CHEMBL5042029)	Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by fluorescence spectrophotometric analysis
50015175	2	ChEMBL_2157370 (CHEMBL5042030)	Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by fluorescence spectrophotometric analysis
50015175	3	ChEMBL_2157371 (CHEMBL5042031)	Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluorescence spectrophotometric analysis
50015177	1	ChEMBL_2157377 (CHEMBL5042037)	Positive allosteric modulator activity at human MRGPRX1 transfected in HEK293 cells in presence of BAM8-22 by Fulo4AM dye based FLIPR assay
50015178	1	ChEMBL_2157418 (CHEMBL5042078)	Inhibition of BRAF (unknown origin)
50015178	2	ChEMBL_2157419 (CHEMBL5042079)	Inhibition of FGFR1 (unknown origin)
50015178	3	ChEMBL_2157421 (CHEMBL5042081)	Inhibition of VEGFR1 (unknown origin)
50015178	4	ChEMBL_2157422 (CHEMBL5042082)	Inhibition of KIT (unknown origin)
50015178	5	ChEMBL_2157424 (CHEMBL5042084)	Inhibition of FLT3 (unknown origin)
50015178	6	ChEMBL_2157425 (CHEMBL5042085)	Inhibition of FLT3-ITD mutant (unknown origin)
50015179	1	ChEMBL_2157455 (CHEMBL5042115)	Inhibition of HDAC in human HeLa nuclear extract using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015179	2	ChEMBL_2157456 (CHEMBL5042116)	Inhibition of HDAC1 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015179	3	ChEMBL_2157457 (CHEMBL5042117)	Inhibition of HDAC2 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015179	4	ChEMBL_2157458 (CHEMBL5042118)	Inhibition of HDAC6 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015179	5	ChEMBL_2157459 (CHEMBL5042119)	Inhibition of HDAC8 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015180	1	ChEMBL_2157566 (CHEMBL5042226)	Inhibition of CH24H expressing human 293-F cells for 15 minutes using [14C] cholesterol as substrate and measured after 5 hrs by trypan blue staining based thin-layer chromatography
50015181	1	ChEMBL_2157577 (CHEMBL5042237)	Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured immediately in presence of DTT by TR-FRET assay
50015181	2	ChEMBL_2157578 (CHEMBL5042238)	Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 1 hr in presence of DTT by TR-FRET assay
50015181	3	ChEMBL_2157579 (CHEMBL5042239)	Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 2 hrs in presence of DTT by TR-FRET assay
50015181	4	ChEMBL_2157580 (CHEMBL5042240)	Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate measured after 4 hrs in presence of DTT by TR-FRET assay
50015181	5	ChEMBL_2157582 (CHEMBL5042242)	Covalent inhibition of human full length N-terminal GST-fused MPS1 (1 to 857 residues) assessed as inhibition constant by TR-FRET assay
50015181	6	ChEMBL_2157585 (CHEMBL5042245)	Displacement of tracer K9 from NanoLuc-fused MPS1 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay
50015181	7	ChEMBL_2157587 (CHEMBL5042247)	Inhibition of human recombinant FGFR4 expressed in Sf9 insect cells using poly[Glu:Tyr] 4:1 as substrate in presence of [33P]-ATP by radiometric hotspot kinetic assay
50015181	8	ChEMBL_2157588 (CHEMBL5042248)	Inhibition of human recombinant MAPKAPK2 expressed in Sf9 insect cells using [KKLNRTLSVA] as substrate in presence of [33P]-ATP by radiometric hotspot kinetic assay
50015181	9	ChEMBL_2157589 (CHEMBL5042249)	Inhibition of human recombinant MAPKAPK3 expressed in Sf9 insect cells using [KKLNRTLSVA] as substrate in presence of [33P]-ATP by radiometric hotspot kinetic assay
50015181	10	ChEMBL_2157590 (CHEMBL5042250)	Inhibition of human recombinant P70S6Kbeta expressed in Sf9 insect cells using [KKRNRTLTK] as substrate in presence of [33P]-ATP by radiometric hotspot kinetic assay
50015181	11	ChEMBL_2157613 (CHEMBL5042273)	Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay
50015183	1	ChEMBL_2157652 (CHEMBL5042312)	Binding affinity to PDE delta (unknown origin) assessed as dissociation constant measured after 2 hrs by fluorescence polarization assay
50015184	1	ChEMBL_2157678 (CHEMBL5042338)	Inhibition of IRAK4 (unknown origin) using FL- IPTSPITTTYFFFKKK peptide as substrate in presence of ATP incubated for 60 mins by fluorescence assay
50015185	1	ChEMBL_2157699 (CHEMBL5042359)	Inhibition of human ERG
50015186	1	ChEMBL_2157700 (CHEMBL5042360)	Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	2	ChEMBL_2157701 (CHEMBL5042361)	Displacement of [125I]I-AB-MECA from mouse adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	3	ChEMBL_2157703 (CHEMBL5042363)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	4	ChEMBL_2157704 (CHEMBL5042364)	Displacement of [3H] DPCPX from rat adenosine A2B receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	5	ChEMBL_2157705 (CHEMBL5042365)	Displacement of [3H] DPCPX from mouse adenosine A2B receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	6	ChEMBL_2157706 (CHEMBL5042366)	Displacement of [3H] DPCPX from human adenosine A2B receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	7	ChEMBL_2157710 (CHEMBL5042370)	Displacement of [3H] ZM241385 from mouse adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	8	ChEMBL_2157711 (CHEMBL5042371)	Displacement of [3H] ZM241385 from rat adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	9	ChEMBL_2157712 (CHEMBL5042372)	Displacement of [3H] ZM241385 from human adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	10	ChEMBL_2157716 (CHEMBL5042376)	Binding affinity to rat adenosine A3 receptor measured by radioligand binding assay
50015186	11	ChEMBL_2157717 (CHEMBL5042377)	Displacement of [3H] DPCPX from rat adenosine A1 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	12	ChEMBL_2157718 (CHEMBL5042378)	Displacement of [3H] DPCPX from mouse adenosine A1 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	13	ChEMBL_2157719 (CHEMBL5042379)	Displacement of [3H] DPCPX from human adenosine A1 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay
50015186	14	ChEMBL_2157724 (CHEMBL5042384)	Displacement of [3H]HMRS7799 from human adenosine A3 receptor expressed in HEK293 cells by radioligand binding assay
50015186	15	ChEMBL_2157725 (CHEMBL5042385)	Binding affinity to human adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay
50015186	16	ChEMBL_2157726 (CHEMBL5042386)	Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay
50015186	17	ChEMBL_2157727 (CHEMBL5042387)	Binding affinity to rat adenosine A3 receptor expressed in HEK293 cells measured by radioligand binding assay
50015186	18	ChEMBL_2157728 (CHEMBL5042388)	Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HEK293 cells by radioligand binding assay
50015186	19	ChEMBL_2157729 (CHEMBL5042389)	Binding affinity to human sigma2 receptor by radioligand binding assay
50015186	20	ChEMBL_2157730 (CHEMBL5042390)	Binding affinity to human TSPO receptor by radioligand binding assay
50015186	21	ChEMBL_2157731 (CHEMBL5042391)	Binding affinity to human D3 receptor by radioligand binding assay
50015186	22	ChEMBL_2157732 (CHEMBL5042392)	Binding affinity to human D4 receptor by radioligand binding assay
50015186	23	ChEMBL_2157733 (CHEMBL5042393)	Binding affinity to human M5 receptor by radioligand binding assay
50015186	24	ChEMBL_2157734 (CHEMBL5042394)	Binding affinity to human 5-HT2A receptor by radioligand binding assay
50015186	25	ChEMBL_2157735 (CHEMBL5042395)	Binding affinity to human 5-HT2C receptor by radioligand binding assay
50015186	26	ChEMBL_2157748 (CHEMBL5042408)	Binding affinity to mouse adenosine A3 receptor measured by radioligand binding assay
50015186	27	ChEMBL_2157749 (CHEMBL5042409)	Binding affinity to human adenosine A3 receptor measured by radioligand binding assay
50015187	1	ChEMBL_2157750 (CHEMBL5042410)	Inhibition of recombinant N-terminal GST-tagged human RIPK1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 40 mins followed by substrate addition and measured after 60 mins by ADP-glo luminescence assay
50015189	1	ChEMBL_2157752 (CHEMBL5042412)	Inhibition of DENV2 NS2B-NS3 protease expressed in Escherichia coli assessed as fluorescence emission using Bz-nKRR-AMC as substrate by microplate reader assay
50015189	2	ChEMBL_2157755 (CHEMBL5042415)	Binding affinity to DENV NS2B-NS3 protease assessed as inhibition constant using benzoyl-Nle-Lys-Arg-Arg-AMC as substrate incubated for 60 min by measuring fluorescence intensity
50015189	3	ChEMBL_2157756 (CHEMBL5042416)	Inhibition of DENV NS2B-NS3 protease assessed as fluorescence emission using benzoyl-Nle-Lys-Arg-Arg-AMC as substrate preincubated with enzyme for 60 min followed by substrate addition and measured for 15 min by fluorimetric assay
50015190	1	ChEMBL_2157776 (CHEMBL5042436)	Displacement of [3H]-Citalopram from NET (unknown origin) expressed in HEK cell membrane incubated for 2 hrs by liquid scintillation counter analysis
50015190	2	ChEMBL_2157777 (CHEMBL5042437)	Displacement of [3H]-Citalopram from SERT receptor (unknown origin) expressed in HEK cell membrane incubated for 2 hrs by liquid scintillation counter analysis
50015190	3	ChEMBL_2157779 (CHEMBL5042439)	Displacement of [3H]-Citalopram from sigma-2 receptor (unknown origin) expressed in HEK cell membrane incubated for 2 hrs by liquid scintillation counter analysis
50015190	4	ChEMBL_2157780 (CHEMBL5042440)	Displacement of [3H]-Citalopram from sigma-1 receptor (unknown origin) expressed in HEK cell membrane incubated for 2 hrs by liquid scintillation counter analysis
50015190	5	ChEMBL_2157783 (CHEMBL5042443)	Inhibition of human SERT receptor expressed in human HEK293 cells assessed as inhibition of substrate transport measured after 1 hr by flourescence based plate reader assay
50015190	6	ChEMBL_2157784 (CHEMBL5042444)	Inhibition of human NET expressed in human HEK293 cells assessed as inhibition of substrate transport measured after 1 hr by flourescence based plate reader assay
50015191	1	ChEMBL_2157805 (CHEMBL5042465)	Inhibition of PD-1/PDL-1 (unknown origin) interaction incubated for 15 mins by TR-FRET assay
50015193	1	ChEMBL_2157809 (CHEMBL5042559)	Inhibition of full length human HDAC8 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	2	ChEMBL_2157810 (CHEMBL5042560)	Inhibition of full length human HDAC11 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	3	ChEMBL_2157811 (CHEMBL5042561)	Inhibition of full length human HDAC5 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	4	ChEMBL_2157812 (CHEMBL5042562)	Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	5	ChEMBL_2157814 (CHEMBL5042564)	Inhibition of full length human HDAC4 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	6	ChEMBL_2157815 (CHEMBL5042565)	Inhibition of full length human HDAC7 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	7	ChEMBL_2157816 (CHEMBL5042566)	Inhibition of full length human HDAC2 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	8	ChEMBL_2157817 (CHEMBL5042567)	Inhibition of full length human HDAC1 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	9	ChEMBL_2157818 (CHEMBL5042568)	Inhibition of full length human HDAC3 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	10	ChEMBL_2157819 (CHEMBL5042569)	Binding affinity to human HDAC6 by jump dilution assay
50015193	11	ChEMBL_2157820 (CHEMBL5042570)	Inhibition of full length human HDAC9 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	12	ChEMBL_2157821 (CHEMBL5042571)	Inhibition of full length human HDAC10 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
50015193	13	ChEMBL_2157822 (CHEMBL5042572)	Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate without preincubation by mass spectrometry analysis
50015193	14	ChEMBL_2157823 (CHEMBL5042573)	Inhibition of full length human HDAC6 preincubated for 3 hrs by mass spectrometry analysis
50015193	15	ChEMBL_2157824 (CHEMBL5042574)	Inhibition of HDAC6 (unknown origin) by fluorescence polarization assay
50015194	1	ChEMBL_2157888 (CHEMBL5042638)	Agonist activity at recombinant N-terminal His6 -tagged GFP fused PPARgamma LBD (unknown origin) (203 to 477 residues) expressed in Escherichia cell Rosetta2 using biotinylated NLVPDAASKHKQLSELLRGGSGS peptide as substrate assessed as induction of Tb cryptate labelled CBP recruitment measured after 2 hrs by HTRF assay
50015194	2	ChEMBL_2157889 (CHEMBL5042639)	Inhibition of recombinant human C-terminal sEH (222 to 555 residues) expressed in Escherichia coli BL21-DE3 using PHOME as substrate assessed as reduction in 6-methoxy-2-naphthaldehyde formation incubated for 30 mins followed by substarte addition and measured after 30 mins by fluorescence based assay
50015194	3	ChEMBL_2157890 (CHEMBL5042640)	Agonist activity at human GAL4 DBD-fused PPARgamma LBD (203 to 505 residues) transfected in HEK293T cells assessed as fold activation incubated for 14 to 16 hrs by Renilla/Firefly dual-luciferase reporter assay
50015195	1	ChEMBL_2157916 (CHEMBL5042666)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay
50015195	2	ChEMBL_2157917 (CHEMBL5042667)	Binding affinity to NLuc human A1 adenosine receptor expressed in HEK293-A cells in presence of 1 uM SLV320 by NanoBRET binding assay
50015195	3	ChEMBL_2157919 (CHEMBL5042669)	Binding affinity to NLuc human A2A adenosine receptor expressed in HEK293-A cells in presence of 1 uM ZM241385 by NanoBRET binding assay
50015195	4	ChEMBL_2157921 (CHEMBL5042671)	Binding affinity to NLuc human A2B adenosine receptor expressed in HEK293-A cells in presence of 1 uM PSB603 by NanoBRET binding assay
50015195	5	ChEMBL_2157923 (CHEMBL5042673)	Binding affinity to NLuc human A3 adenosine receptor expressed in HEK293-A cells in presence of 1 uM MRS1220 by NanoBRET binding assay
50015195	6	ChEMBL_2157928 (CHEMBL5042678)	Binding affinity to NanoLuc-human A1 adenosine receptor expressed in HEK293-A cells assessed as kinetic dissociation constant by NanoBRET competitive binding assay
50015195	7	ChEMBL_2157929 (CHEMBL5042679)	Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assay
50015195	8	ChEMBL_2157930 (CHEMBL5042680)	Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of DPCPX by NanoBRET competitive binding assay
50015195	9	ChEMBL_2157931 (CHEMBL5042681)	Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of NECA by NanoBRET competitive binding assay
50015195	10	ChEMBL_2157932 (CHEMBL5042682)	Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO-K1 cells by radioligand binding assay
50015195	11	ChEMBL_2157935 (CHEMBL5042685)	Binding affinity to N-terminal NLuc tagged human A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay
50015195	12	ChEMBL_2157936 (CHEMBL5042686)	Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay
50015195	13	ChEMBL_2157937 (CHEMBL5042687)	Agonist activity at human A3 adenosine receptor expressed in Flp-In-CHO cells assessed as calcium influx by competitive binding assay
50015195	14	ChEMBL_2157938 (CHEMBL5042688)	Agonist activity at A3 adenosine receptor (unknown origin)
50015195	15	ChEMBL_2157939 (CHEMBL5042689)	Agonist activity at human A3 adenosine receptor expressed in Flp-In-CHO cells assessed as stimulation of cAMP accumulation by competitive binding assay
50015195	16	ChEMBL_2157940 (CHEMBL5042690)	Agonist activity at human A1 adenosine receptor
50015195	17	ChEMBL_2157941 (CHEMBL5042691)	Antagonist activity at N-terminal NLuc tagged human A3 adenosine receptor
50015200	1	ChEMBL_2157948 (CHEMBL5042698)	Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate incubated in dark at room temperature for 1 hr in presence of ATP by ADP-Glo luminescent assay
50015200	2	ChEMBL_2157949 (CHEMBL5042699)	Inhibition of PI3K beta (unknown origin) using PIP2 as substrate incubated in dark at room temperature for 1 hr in presence of ATP by ADP-Glo luminescent assay
50015200	3	ChEMBL_2157950 (CHEMBL5042700)	Inhibition of PI3K gamma (unknown origin) using PIP2 as substrate incubated in dark at room temperature for 1 hr in presence of ATP by ADP-Glo luminescent assay
50015200	4	ChEMBL_2157951 (CHEMBL5042701)	Inhibition of PI3K delta (unknown origin) using PIP2 as substrate incubated in dark at room temperature for 1 hr in presence of ATP by ADP-Glo luminescent assay
50015200	5	ChEMBL_2157952 (CHEMBL5042702)	Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate irradiated with 365 nm of UV exposure for 2 mins and incubation in dark at room temperature for 1 hr in presence of ATP measured by ADP-Glo luminescent assay
50015201	1	ChEMBL_2157998 (CHEMBL5042748)	Inhibition of human p38 MAPK alpha incubated for 1 hr by photometric method
50015201	2	ChEMBL_2157999 (CHEMBL5042749)	Antagonist activity at p38 MAPK alpha (unknown origin)
50015201	3	ChEMBL_2158000 (CHEMBL5042750)	Inhibition of human p38 MAPK alpha
50015202	1	ChEMBL_2158056 (CHEMBL5042806)	Inhibition of DYRK1A (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET assay
50015202	2	ChEMBL_2158057 (CHEMBL5042807)	Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET assay
50015202	3	ChEMBL_2158058 (CHEMBL5042808)	Inhibition of DYRK2 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET assay
50015202	4	ChEMBL_2158059 (CHEMBL5042809)	Inhibition of wild type full length DYRK1A (unknown origin) in human U2OS cells assessed as reduction in pSER520 autophosphorylation incubated for 5 hrs by western blot analysis
50015203	1	ChEMBL_2158113 (CHEMBL5042863)	Displacement of [125I]-1DMeNPFF from recombinant human NPFF1 receptor expressed in CHO cells by TopCount scintillation counting method
50015203	2	ChEMBL_2158114 (CHEMBL5042864)	Displacement of [125I]-1DMeNPFF from recombinant human NPFF2 receptor expressed in CHO cells by TopCount scintillation counting method
50015203	3	ChEMBL_2158117 (CHEMBL5042867)	Displacement of [125I]-1DMeNPFF from mouse NPFF2R receptor by TopCount scintillation counting method
50015203	4	ChEMBL_2158119 (CHEMBL5042869)	Displacement of [3H]-PrRP-20 from human PrRP receptor expressed in CHO cells by TopCount scintillation counting method
50015203	5	ChEMBL_2158120 (CHEMBL5042870)	Displacement of [125I]-Kp-10 from human Kiss1 receptor by TopCount scintillation counting method
50015203	6	ChEMBL_2158121 (CHEMBL5042871)	Displacement of [125I]-43RFa from human QRFP receptor expressed in CHO cells by TopCount scintillation counting method
50015203	7	ChEMBL_2158123 (CHEMBL5042873)	Displacement of [3H]-Diprenorphine from human DOP receptor expressed in HEK293 cells by scintillation counting method
50015203	8	ChEMBL_2158125 (CHEMBL5042875)	Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in HEK293 cells by scintillation counting analysis
50015203	9	ChEMBL_2158145 (CHEMBL5042895)	Agonist activity at human NPFF1R expressed in HEK293 cells by dynamic mass redistribution assay
50015203	10	ChEMBL_2158147 (CHEMBL5042897)	Agonist activity at human NPFF1 receptor expressed in HEK293 cells assessed as reduction in forskolin- stimulated cAMP level
50015206	1	ChEMBL_2158151 (CHEMBL5042901)	Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay
50015206	2	ChEMBL_2158153 (CHEMBL5042903)	Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measured after 15 mins by calcium mobilization assay
50015206	3	ChEMBL_2158154 (CHEMBL5042904)	Agonist activity at mouse MOR expressed in CHO cells coexpressing Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measured after 15 mins by calcium mobilization assay
50015206	4	ChEMBL_2158155 (CHEMBL5042905)	Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells incubated for 90 mins by competitive radioligand binding assay
50015206	5	ChEMBL_2158156 (CHEMBL5042906)	Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells by competitive radioligand binding assay
50015206	6	ChEMBL_2158157 (CHEMBL5042907)	Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by calcium mobilization assay
50015206	7	ChEMBL_2158159 (CHEMBL5042909)	Inhibition of CCR5-mediated HIV-1 Bal entry in human GHOST CCR5 cells assessed as decrease in viral reverse transcriptase activity by measuring [3H]thymidine triphosphate incorporation measured after 60 to 90 mins by scintillation counting analysis
50015206	8	ChEMBL_2158162 (CHEMBL5042912)	Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of viral entry by measuring LTR-driven luciferase activity pretreated for 1 hr before infection measured after 2 to 3 days of infection
50015206	9	ChEMBL_2158163 (CHEMBL5042913)	Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of viral entry in presence of morphine by measuring LTR-driven luciferase activity pretreated for 1 hr before infection measured after 2 to 3 days of infection
50015207	1	ChEMBL_2158168 (CHEMBL5042918)	Inhibition of human factor 12a using H-D-Pro-Phe-Arg-p-nitroanilide as chromogenic substrate assessed as liberation of p-nitroaniline measured every 5 mins for 60 min by multimode plate reader analysis
50015207	2	ChEMBL_2158169 (CHEMBL5042919)	Inhibition of human factor 12a using H-D-Pro-Phe-Arg-p-nitroanilide as chromogenic substrate assessed as liberation of p-nitroaniline in presence of BSA measured every 5 mins for 60 min by multimode plate reader analysis
50015207	3	ChEMBL_2158170 (CHEMBL5042920)	Inhibition of human factor 10a using methoxycarbonyl-D-Nle-Gly-Arg-pNA as substrate measured after 60 mins by microplate reader analysis
50015207	4	ChEMBL_2158171 (CHEMBL5042921)	Inhibition of plasma kallikrein (unknown origin)
50015207	5	ChEMBL_2158172 (CHEMBL5042922)	Inhibition of Urokinase-type plasminogen activator (unknown origin)
50015207	6	ChEMBL_2158173 (CHEMBL5042923)	Inhibition of factor 7a (unknown origin)
50015207	7	ChEMBL_2158174 (CHEMBL5042924)	Inhibition of trypsin (unknown origin)
50015207	8	ChEMBL_2158175 (CHEMBL5042925)	Inhibition of plasmin (unknown origin)
50015208	1	ChEMBL_2158237 (CHEMBL5042987)	Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand binding assay
50015208	2	ChEMBL_2158238 (CHEMBL5042988)	Inhibition of human V1A receptor expressed in human 1321N1 cells assessed as calcium mobilization by fluorescent plate reader
50015208	3	ChEMBL_2158239 (CHEMBL5042989)	Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand binding assay
50015209	1	ChEMBL_2158319 (CHEMBL5043069)	Inhibition of DHPS (unknown origin ) incubated for 30 mins by NAD/NADH-Glow assay
50015210	1	ChEMBL_2158412 (CHEMBL5043162)	Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay
50015210	2	ChEMBL_2158414 (CHEMBL5043164)	Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origin) expressed in baculovirus infected Sf9 cells by Surface plasmon resonance assay
50015210	3	ChEMBL_2158415 (CHEMBL5043165)	Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay
50015210	4	ChEMBL_2158416 (CHEMBL5043166)	Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay
50015211	1	ChEMBL_2158453 (CHEMBL5043203)	Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay
50015211	2	ChEMBL_2158454 (CHEMBL5043204)	Inhibition of BTK phosphorylation in human whole blood assessed as reduction in BTK phosphorylation incubated for 30 mins
50015211	3	ChEMBL_2158455 (CHEMBL5043205)	Inhibition of CD69 in human whole blood preincubated for 30 mins followed by anti-human IgD stimulation and measured after 18 to 22 hrs by flow cytometry
50015211	4	ChEMBL_2158479 (CHEMBL5043229)	Inhibition of CYP3A4 (unknown origin)
50015211	5	ChEMBL_2158480 (CHEMBL5043230)	Inhibition of CYP2C9 (unknown origin)
50015211	6	ChEMBL_2158481 (CHEMBL5043231)	Binding affinity to wild-type human full length BTK (M1 to S659 residues) expressed in mammalian expression system by Kinomescan method
50015211	7	ChEMBL_2158482 (CHEMBL5043232)	Binding affinity to wild-type human partial length AURKA (E122 to K401 residues) expressed in mammalian expression system by Kinomescan method
50015211	8	ChEMBL_2158483 (CHEMBL5043233)	Binding affinity to wild-type human full length BMX (M1 to H675 residues) expressed in bacterial expression system by Kinomescan method
50015211	9	ChEMBL_2158484 (CHEMBL5043234)	Binding affinity to wild-type human partial length CDKL2 (M1 to D327 residues) expressed in bacterial expression system by Kinomescan method
50015211	10	ChEMBL_2158485 (CHEMBL5043235)	Binding affinity to wild-type human full length LZK (M1 to W966 residues) expressed in mammalian expression system by Kinomescan method
50015211	11	ChEMBL_2158486 (CHEMBL5043236)	Binding affinity to wild-type human full length MEK2 (M1 to V400 residues) expressed in mammalian expression system by Kinomescan method
50015211	12	ChEMBL_2158487 (CHEMBL5043237)	Binding affinity to wild-type human partial length PIP5K1C (M1 to T668 residues) expressed in mammalian expression system by Kinomescan method
50015211	13	ChEMBL_2158488 (CHEMBL5043238)	Binding affinity to wild-type human partial length SRC (L240 to L536 residues) expressed in bacterial expression system by Kinomescan method
50015211	14	ChEMBL_2158489 (CHEMBL5043239)	Binding affinity to wild-type human partial length TEC (L341 to D620 residues) expressed in bacterial expression system by Kinomescan method
50015211	15	ChEMBL_2158490 (CHEMBL5043240)	Binding affinity to wild-type human partial length TIE1 (T819 to A1138 residues) expressed in bacterial expression system by Kinomescan method
50015211	16	ChEMBL_2158525 (CHEMBL5043275)	Inhibition of human ERG by patch clamp method
50015211	17	ChEMBL_2158526 (CHEMBL5043276)	Inhibition of human Cav1.2
50015211	18	ChEMBL_2158531 (CHEMBL5043281)	Inhibition of tonic human Nav1.5
50015211	19	ChEMBL_2158532 (CHEMBL5043282)	Inhibition of phasic human Nav1.5
50015211	20	ChEMBL_2158543 (CHEMBL5043293)	Inhibition of BTK in human Ramos cells assessed as reduction in PLCgamma2 phosphorylation
50015211	21	ChEMBL_2158544 (CHEMBL5043294)	Inhibition of BTK in anti-IgM stimulated human PBMC cells assessed as reduction in PLCgamma2 phosphorylation
50015211	22	ChEMBL_2158549 (CHEMBL5043299)	Inhibition of CD69 (unknown origin) assessed as reduction in BCR mediated B cell activation
50015211	23	ChEMBL_2158550 (CHEMBL5043300)	Inhibition of CD63 (unknown origin) assessed as FcepsilonR induced basophil activation
50015211	24	ChEMBL_2158561 (CHEMBL5043311)	Inhibition of human BTK assessed as reduction in OVA323-329 specific T cells proliferation
50015212	1	ChEMBL_2158610 (CHEMBL5043360)	Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50015212	2	ChEMBL_2158611 (CHEMBL5043361)	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50015212	3	ChEMBL_2158612 (CHEMBL5043362)	Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50015212	4	ChEMBL_2158613 (CHEMBL5043363)	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50015212	5	ChEMBL_2158614 (CHEMBL5043364)	Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50015213	1	ChEMBL_2158626 (CHEMBL5043376)	Agonist activity at mu opioid receptor (unknown origin) assessed as increase in cAMP level incubated for 40 mins by spectrophotometry
50015213	2	ChEMBL_2158636 (CHEMBL5043386)	Inhibition of CYP1A2 (unknown origin)
50015213	3	ChEMBL_2158637 (CHEMBL5043387)	Inhibition of CYP2C9 (unknown origin)
50015213	4	ChEMBL_2158638 (CHEMBL5043388)	Inhibition of CYP2C19 (unknown origin)
50015213	5	ChEMBL_2158639 (CHEMBL5043389)	Inhibition of human ERG expressed in CHO cells at holding potential of -80 mV by whole cell patch clamp assay
50015213	6	ChEMBL_2158647 (CHEMBL5043397)	Displacement of [3H]-Diprenorphine from human mu opiod receptor expressed in CHO cells incubated for 1 hr by competition binding assay
50015213	7	ChEMBL_2158648 (CHEMBL5043398)	Agonist activity at human mu opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay
50015213	8	ChEMBL_2158649 (CHEMBL5043399)	Agonist activity at human delta opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay
50015213	9	ChEMBL_2158650 (CHEMBL5043400)	Agonist activity at human kappa opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay
50015213	10	ChEMBL_2158659 (CHEMBL5043409)	Agonist activity at mu opioid receptor (unknown origin) assessed as beta arrestin-2 recruitment incubated for 3 days by PathHunter assay
50015216	1	ChEMBL_2158664 (CHEMBL5043414)	Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50015216	2	ChEMBL_2158665 (CHEMBL5043415)	Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50015216	3	ChEMBL_2158669 (CHEMBL5043419)	Inhibition of recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli using myelin basic protein as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50015216	4	ChEMBL_2158670 (CHEMBL5043420)	Inhibition of recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli using myelin basic protein as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50015216	5	ChEMBL_2158673 (CHEMBL5043423)	Binding affinity to recombinant N-terminal His6-tagged human STK3 (18 to 311 residues) expressed in Escherichia coli assessed as inhibition constant
50015216	6	ChEMBL_2158674 (CHEMBL5043424)	Binding affinity to recombinant N-terminal His6-tagged human STK4 (43 to 431 residues) expressed in Escherichia coli assessed as inhibition constant
50015216	7	ChEMBL_2158675 (CHEMBL5043425)	Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK3 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50015216	8	ChEMBL_2158677 (CHEMBL5043427)	Displacement of K5 tracer from full length C-terminal NanoLuc fused human STK4 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50015216	9	ChEMBL_2158678 (CHEMBL5043428)	Displacement of K5 tracer from full length C-terminal NanoLuc fused human LRRK2 expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50015217	1	ChEMBL_2158720 (CHEMBL5043470)	Inhibition of recombinant full length H-RNAase L (1 to 741 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate in presence of 2-5A and ATP/MgCl2 by STD-NMR spectroscopy
50015217	2	ChEMBL_2158726 (CHEMBL5043476)	Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 1 nM 2-5A for 15 mins by Coomassie staining based SDS-PAGE analysis
50015217	3	ChEMBL_2158727 (CHEMBL5043477)	Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 5 nM 2-5A for 15 mins by Coomassie staining based SDS-PAGE analysis
50015217	4	ChEMBL_2158728 (CHEMBL5043478)	Inhibition of full length H-RNAase L expressed in Escherichia coli BL21 (DE3) assessed as inhibition rate incubated for 15 min in presence of 20 nM 2-5A for 15 mins by Coomassie staining based SDS-PAGE analysis
50015217	5	ChEMBL_2158732 (CHEMBL5043482)	Inhibition of human CYP2D6 preincubated for 5 min by LC-MS/MS analysis
50015218	1	ChEMBL_2158735 (CHEMBL5043485)	Inhibition of human CDK12 (696 to 1082 residues) /cyclinK (1 to 300 residues) using ac-YSPTSPpSYSPTSFpS-YSPTSPpSY-[PEG2]-RR-amid peptide as substrate in presence of ATP measured after 2 hrs by ADP-Glo kinase assay
50015220	1	ChEMBL_2158789 (CHEMBL5043539)	Inhibition of recombinant human MAO-A expressed in Sf9 cells preincubated for 15 min followed by addition of p-tyramine and measured after 60 min by Luminex assay
50015220	2	ChEMBL_2158790 (CHEMBL5043540)	Inhibition of recombinant human MAO-B expressed in Sf9 cells preincubated for 15 min followed by addition of benzylamine and measured after 60 min by Luminex assay
50015220	3	ChEMBL_2158820 (CHEMBL5043570)	Inhibition of human CYP1A2 preincubated for 10 min followed by addition of NADPH and measured after 10 min by LC-MS/MS analysis
50015220	4	ChEMBL_2158821 (CHEMBL5043571)	Inhibition of human CYP2B6 preincubated for 10 min followed by addition of NADPH and measured after 10 min by LC-MS/MS analysis
50015220	5	ChEMBL_2158822 (CHEMBL5043572)	Inhibition of human CYP2C8 preincubated for 10 min followed by addition of NADPH and measured after 45 min by LC-MS/MS analysis
50015220	6	ChEMBL_2158823 (CHEMBL5043573)	Inhibition of human CYP2C9 preincubated for 10 min followed by addition of NADPH and measured after 10 min by LC-MS/MS analysis
50015220	7	ChEMBL_2158824 (CHEMBL5043574)	Inhibition of human CYP2C19 preincubated for 10 min followed by addition of NADPH and measured after 45 min by LC-MS/MS analysis
50015220	8	ChEMBL_2158825 (CHEMBL5043575)	Inhibition of human CYP2D6 preincubated for 10 min followed by addition of NADPH and measured after 10 min by LC-MS/MS analysis
50015220	9	ChEMBL_2158826 (CHEMBL5043576)	Inhibition of human CYP3A4 preincubated for 10 min followed by addition of NADPH and measured after 5 min by LC-MS/MS analysis
50015220	10	ChEMBL_2158827 (CHEMBL5043577)	Inhibition of human CYP3A5 preincubated for 10 min followed by addition of NADPH and measured after 5 min by LC-MS/MS analysis
50015220	11	ChEMBL_2158837 (CHEMBL5043587)	Inhibition of human ERG expressed in CHO-K1 cells by Patch Clamp method
50015221	1	ChEMBL_2158843 (CHEMBL5043593)	Inhibition of mouse uPA using Z-Gly-Gly-Arg-AMC as substrate measured for 15 mins by fluorometric assay
50015221	2	ChEMBL_2158844 (CHEMBL5043594)	Inhibition of human uPA using Z-Gly-Gly-Arg-AMC as substrate measured for 15 mins by fluorometric assay
50015221	3	ChEMBL_2158848 (CHEMBL5043598)	Inhibition of uPA (unknown origin) using L-pyroglutamyl-glycyl-L-arginine-p-nitroanilide as substrate by Lineweaver-Burk plot analysis
50015222	1	ChEMBL_2158895 (CHEMBL5043645)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as inhibition constant at 0.78 to 12.5 uM preincubated for 10 mins followed by substrate addition and measured for 15 mins by Lineweaver-Burk plot analysis
50015222	2	ChEMBL_2158896 (CHEMBL5043646)	Inhibition of AChE (unknown origin)
50015222	3	ChEMBL_2158897 (CHEMBL5043647)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate assessed as inhibition constant at 0.78 to 12.5 uM preincubated for 10 mins followed by substrate addition and measured after 15 mins by Lineweaver-Burk plot analysis
50015222	4	ChEMBL_2158898 (CHEMBL5043648)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by Ellman's method
50015222	5	ChEMBL_2158899 (CHEMBL5043649)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 15 mins by Ellman's method
50015222	6	ChEMBL_2158932 (CHEMBL5043682)	Inhibition of BuChE (unknown origin)
50015224	1	ChEMBL_2158953 (CHEMBL5043703)	Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimulated calcium mobilization incubated for 15 mins FLIPR assay
50015224	2	ChEMBL_2158954 (CHEMBL5043704)	Allosteric antagonist activity against human CB1 receptor expressed in HEK293 cells membrane measured after 60 mins by [35S]GTPgammaS binding assay
50015224	3	ChEMBL_2158955 (CHEMBL5043705)	Allosteric antagonist activity against mouse CB1 receptor expressed in HEK293 cells membrane measured after 60 mins by [35S]GTPgammaS binding assay
50015224	4	ChEMBL_2158959 (CHEMBL5043709)	Antagonist activity at N-terminal tagged human CB1 receptor transfected with HEK293 cells assessed as forskolin-stimulated cAMP level in presence of CP55940 by BRET assay
50015225	1	ChEMBL_2158972 (CHEMBL5043722)	Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent based enzymatic assay
50015225	2	ChEMBL_2158973 (CHEMBL5043723)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 24 hrs by colorimetric reagent based assay
50015225	3	ChEMBL_2158975 (CHEMBL5043725)	Inhibition of recombinant human TDO2 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr by methylene blue reagent based assay
50015226	1	ChEMBL_2158993 (CHEMBL5043743)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 30 mins by LC-MS/MS analysis
50015226	2	ChEMBL_2158995 (CHEMBL5043745)	Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for 30 mins followed by substrate addition in presence of 10 uM ATP and measured after 60 mins by microfluidics assay
50015226	3	ChEMBL_2158996 (CHEMBL5043746)	Inhibition of recombinant human SGK1 expressed in baculovirus expression system using 5-carboxyfluorescein -RPRAATF-NH2 as substrate preincubated for 30 mins followed by substrate addition in presence of 500 uM ATP and measured after 60 mins by microfluidics assay
50015226	4	ChEMBL_2158998 (CHEMBL5043748)	Inhibition of human SGK2 in presence 500 uM presence of ATP
50015226	5	ChEMBL_2158999 (CHEMBL5043749)	Inhibition of human SGK3 in presence 500 uM presence of ATP
50015226	6	ChEMBL_2159000 (CHEMBL5043750)	Inhibition of mouse SGK1 in presence 500 uM presence of ATP
50015226	7	ChEMBL_2159011 (CHEMBL5043761)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins by LC-MS/MS analysis
50015227	1	ChEMBL_2159061 (CHEMBL5043811)	Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay
50015227	2	ChEMBL_2159064 (CHEMBL5043814)	Binding affinity to extracellular DCN1 (unknown origin) assessed as dissociation constant incubated for upto 180 secs by label-free biolayer interferometry assay
50015227	3	ChEMBL_2159067 (CHEMBL5043817)	Binding affinity to DCN1 (unknown origin) assessed as inhibitory constant
50015227	4	ChEMBL_2159068 (CHEMBL5043818)	Binding affinity to DCN2 (unknown origin) assessed as inhibitory constant
50015227	5	ChEMBL_2159069 (CHEMBL5043819)	Binding affinity to DCN3 (unknown origin) assessed as inhibitory constant
50015227	6	ChEMBL_2159070 (CHEMBL5043820)	Binding affinity to DCN4 (unknown origin) assessed as inhibitory constant
50015227	7	ChEMBL_2159071 (CHEMBL5043821)	Binding affinity to DCN5 (unknown origin) assessed as inhibitory constant
50015229	1	ChEMBL_2159108 (CHEMBL5043858)	Binding affinity to human serum albumin assessed as dissociation constant and measured after 5 mins by fluorescence based competition assay
50015229	2	ChEMBL_2159109 (CHEMBL5043859)	Binding affinity to human serum albumin assessed as dissociation constant using N-alpha-(6-FAM)-N-epsilon-(4-Iodophenylbutanoyl)-D-lysine as substrate and measured after 5 mins by fluorescence based competition assay
50015229	3	ChEMBL_2159110 (CHEMBL5043860)	Binding affinity to human serum albumin assessed as dissociation constant and measured after 5 mins by MST assay
50015229	4	ChEMBL_2159111 (CHEMBL5043861)	Binding affinity to human serum albumin assessed as dissociation constant by isothermal titration calorimetry
50015231	1	ChEMBL_2159133 (CHEMBL5043883)	Inhibition of human recombinant HDAC6 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	2	ChEMBL_2159134 (CHEMBL5043884)	Inhibition of human recombinant HDAC1 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	3	ChEMBL_2159135 (CHEMBL5043885)	Inhibition of human recombinant HDAC3 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	4	ChEMBL_2159136 (CHEMBL5043886)	Inhibition of human recombinant HDAC2 using Boc-Lys(acetyl)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	5	ChEMBL_2159149 (CHEMBL5043899)	Inhibition of human recombinant HDAC4 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	6	ChEMBL_2159150 (CHEMBL5043900)	Inhibition of human recombinant HDAC5 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	7	ChEMBL_2159151 (CHEMBL5043901)	Inhibition of human recombinant HDAC7 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	8	ChEMBL_2159152 (CHEMBL5043902)	Inhibition of human recombinant HDAC8 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	9	ChEMBL_2159153 (CHEMBL5043903)	Inhibition of human recombinant HDAC9 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	10	ChEMBL_2159154 (CHEMBL5043904)	Inhibition of human recombinant HDAC10 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	11	ChEMBL_2159155 (CHEMBL5043905)	Inhibition of human recombinant HDAC11 using Boc-Lys(triflouroacetyI)-AMC substrate incubated for 2 hrs by fluorescence based assay
50015231	12	ChEMBL_2159177 (CHEMBL5043927)	Mixed type inhibition of human HDAC1 (unknown origin) by Lineweaver-Burk plot analysis
50015231	13	ChEMBL_2159178 (CHEMBL5043928)	Non competitive type inhibition of human HDAC3 (unknown origin) by Lineweaver-Burk plot analysis
50015233	1	ChEMBL_2159223 (CHEMBL5043973)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	2	ChEMBL_2159224 (CHEMBL5043974)	Inhibition of HDAC2 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	3	ChEMBL_2159225 (CHEMBL5043975)	Inhibition of HDAC3 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	4	ChEMBL_2159226 (CHEMBL5043976)	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	5	ChEMBL_2159227 (CHEMBL5043977)	Inhibition of HDAC8 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	6	ChEMBL_2159306 (CHEMBL5044056)	Inhibition of HDAC4 (unknown origin) incubated for 30 mins by microplate reader assay
50015233	7	ChEMBL_2159307 (CHEMBL5044057)	Inhibition of HDAC11 (unknown origin) incubated for 30 mins by microplate reader assay
50015235	1	ChEMBL_2159316 (CHEMBL5044066)	Inhibition of human GAL4-fused RORgammat LBD transfected in HEK293T cell measured after 24 hrs by by dual-glo luciferase assay
50015235	2	ChEMBL_2159318 (CHEMBL5044068)	Inhibition of human recombinant DHODH expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 10 mins by DCIP based multimode microplate reader analysis
50015235	3	ChEMBL_2159319 (CHEMBL5044069)	Inhibition of human APC-labeled RORgammat LBD (262 to 518 residues) transfected in Escherichia coli BL21 (DE3) assessed as biotinylated SRC recruitment incubated for 1 hr by dual FRET assay
50015237	1	ChEMBL_2159348 (CHEMBL5044098)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015237	2	ChEMBL_2159349 (CHEMBL5044099)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015237	3	ChEMBL_2159350 (CHEMBL5044100)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015237	4	ChEMBL_2159351 (CHEMBL5044101)	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015238	1	ChEMBL_2159379 (CHEMBL5044129)	Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins followed by fluorescein-labeled LRRKtide peptide substrate and ATP addition for 90 mins by TR-FRET assay
50015238	2	ChEMBL_2159402 (CHEMBL5044152)	Inhibition of human ERG by voltage clamp assay
50015238	3	ChEMBL_2159426 (CHEMBL5044176)	Inhibition of ERK1 (unknown origin)
50015238	4	ChEMBL_2159427 (CHEMBL5044177)	Inhibition of tachykinin NK1 receptor (unknown origin)
50015238	5	ChEMBL_2159448 (CHEMBL5044198)	Inhibition of MARK3 (unknown origin)
50015240	1	ChEMBL_2159559 (CHEMBL5044309)	Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay
50015240	2	ChEMBL_2159560 (CHEMBL5044310)	Inverse agonist activity at RORgammat (unknown origin) transfected in human Jurkat cells assessed as inhibition of RORgammat transcriptional activity incubated for 8 hrs by luciferase reporter gene assay
50015240	3	ChEMBL_2159585 (CHEMBL5044335)	Inverse agonist activity at RORgammat (unknown origin)
50015242	1	ChEMBL_2159677 (CHEMBL5044427)	Binding affinity recombinant human BRD4 BD1 (42 to 168 residues) expressed in Escherichia coli BL21(DE3) incubated for 1 hr by TR-FRET assay
50015242	2	ChEMBL_2159678 (CHEMBL5044428)	Binding affinity human BRD4 BD2 incubated for 1 hr by TR-FRET assay
50015242	3	ChEMBL_2159679 (CHEMBL5044429)	Binding affinity BRD2 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	4	ChEMBL_2159680 (CHEMBL5044430)	Binding affinity BRD2 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	5	ChEMBL_2159681 (CHEMBL5044431)	Binding affinity BRD3 BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	6	ChEMBL_2159682 (CHEMBL5044432)	Binding affinity BRD3 BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	7	ChEMBL_2159683 (CHEMBL5044433)	Binding affinity BRDT BD1 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	8	ChEMBL_2159684 (CHEMBL5044434)	Binding affinity BRDT BD2 (unknown origin) incubated for 1 hr by TR-FRET assay
50015242	9	ChEMBL_2159685 (CHEMBL5044435)	Binding affinity CBP (unknown origin) incubated for 1 hr by TR-FRET assay
50015243	1	ChEMBL_2159731 (CHEMBL5044481)	Agonist activity at human Gal4-fused TLX LBD expressed in human HEK293T cells coexpressing Gal4-VP16 assessed as repressor activity of receptor by measuring decrease in reporter activity measured after 14 hrs by Dual-Glo Luciferase assay
50015243	2	ChEMBL_2159732 (CHEMBL5044482)	Agonist activity at human full length Gal4-fused TLX transfected in human HEK293T cells coexpressing pFR-TAE-Luc assessed as repressor activity of receptor by measuring decrease in reporter activity by dual-glo luciferase assay
50015243	3	ChEMBL_2159734 (CHEMBL5044484)	Binding affinity to recombinant TLX LBD (unknown origin) by differential scanning fluorometry
50015243	4	ChEMBL_2159736 (CHEMBL5044486)	Agonist activity at TLX (unknown origin) assessed as induction of receptor oligomerization using sGFP-labeled TLX LBD as acceptor and biotin TLX LBD as donor measured after 20 hrs incubation at RT and 2 hrs at 37 degC by HTRF assay
50015244	1	ChEMBL_2159803 (CHEMBL5044553)	Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay
50015244	2	ChEMBL_2159804 (CHEMBL5044554)	Inhibition of BRD4 D1 (unknown origin) by alphascreen assay
50015244	3	ChEMBL_2159806 (CHEMBL5044556)	Binding affinity to wild-type human full length p38-alpha (M1 to S360 residues) expressed in bacterial expression system by Kinomescan method
50015244	4	ChEMBL_2159813 (CHEMBL5044563)	Inhibition of BRD2 D1 (unknown origin) by competitive fluorescence anisotropy assay
50015244	5	ChEMBL_2159814 (CHEMBL5044564)	Inhibition of BRD3 D1 (unknown origin) by competitive fluorescence anisotropy assay
50015244	6	ChEMBL_2159815 (CHEMBL5044565)	Inhibition of BRDT D1 (unknown origin) by competitive fluorescence anisotropy assay
50015244	7	ChEMBL_2159816 (CHEMBL5044566)	Inhibition of BRD2 D2 (unknown origin) by competitive fluorescence anisotropy assay
50015244	8	ChEMBL_2159817 (CHEMBL5044567)	Inhibition of BRD3 D2 (unknown origin) by competitive fluorescence anisotropy assay
50015244	9	ChEMBL_2159818 (CHEMBL5044568)	Inhibition of BRD4 D2 (unknown origin) by competitive fluorescence anisotropy assay
50015244	10	ChEMBL_2159819 (CHEMBL5044569)	Binding affinity to BRD2 D1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50015244	11	ChEMBL_2159820 (CHEMBL5044570)	Binding affinity to BRD4 D1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50015244	12	ChEMBL_2159821 (CHEMBL5044571)	Binding affinity to BRD4 D2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50015245	1	ChEMBL_2159890 (CHEMBL5044640)	Inhibition of Plk1-PBD in HEK293A cells expressing HA-EGFP-Plk1 using 3,3',5,5'-tetramethylbenzidine substrate solution as substrate by ELISA
50015248	1	ChEMBL_2159910 (CHEMBL5044660)	Inhibition of HDAC in human HeLa nuclear extracts using fluorometric substrate incubated for 30 mins by fluorescence plate reader analysis
50015248	2	ChEMBL_2159911 (CHEMBL5044661)	Inhibition of recombinant human HDAC1 expressed in baculovirus expression system using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay
50015248	3	ChEMBL_2159912 (CHEMBL5044662)	Inhibition of recombinant human His-tagged HDAC3 expressed in baculovirus insect cells using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay
50015248	4	ChEMBL_2159913 (CHEMBL5044663)	Inhibition of recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay
50015248	5	ChEMBL_2159914 (CHEMBL5044664)	Inhibition of full length recombinant human C-terminal His tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-GlyLys (Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay
50015249	1	ChEMBL_2160008 (CHEMBL5044758)	Agonist activity at PPARalpha (unknown origin)
50015249	2	ChEMBL_2160009 (CHEMBL5044759)	Agonist activity at PPARdelta (unknown origin)
50015249	3	ChEMBL_2160010 (CHEMBL5044760)	Agonist activity at PPARgamma (unknown origin)
50015249	4	ChEMBL_2160021 (CHEMBL5044771)	Agonist activity at human PPARalpha transfected in Cos7 cells co-expressing pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015249	5	ChEMBL_2160022 (CHEMBL5044772)	Agonist activity at human PPARdelta transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015249	6	ChEMBL_2160023 (CHEMBL5044773)	Agonist activity at human PPARgamma transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015249	7	ChEMBL_2160024 (CHEMBL5044774)	Agonist activity at mouse PPARalpha transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015249	8	ChEMBL_2160025 (CHEMBL5044775)	Agonist activity at mouse PPARdelta in Cos7 cells transfected with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015249	9	ChEMBL_2160026 (CHEMBL5044776)	Agonist activity at mouse PPARgamma in Cos7 cells transfected with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity incubated for 16 hrs by luciferase reporter gene assay
50015250	1	ChEMBL_2160155 (CHEMBL5044905)	Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at 2.5 uM after 48 hrs by MTT assay
50015251	1	ChEMBL_2160162 (CHEMBL5044912)	Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis
50015251	2	ChEMBL_2160163 (CHEMBL5044913)	Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expressed in HEK cell membrane incubated for 60 mins at room temperature by NXT microplate scintillation counter analysis
50015251	3	ChEMBL_2160164 (CHEMBL5044914)	Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT microplate scintillation counter analysis
50015251	4	ChEMBL_2160168 (CHEMBL5044918)	Antagonist activity at A3 adenosine receptor (unknown origin)
50015251	5	ChEMBL_2160170 (CHEMBL5044920)	Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysis
50015251	6	ChEMBL_2160172 (CHEMBL5044922)	Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysis
50015251	7	ChEMBL_2160174 (CHEMBL5044924)	Displacement of [3H]NECA from human A3AR expressed in HeLa cell membrane incubated for 180 mins by microbeta trilux scintillation counter analysis
50015252	1	ChEMBL_2160236 (CHEMBL5044986)	Inhibition of recombinant wild type p66/p51 HIV1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50015252	2	ChEMBL_2160240 (CHEMBL5044990)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 45 mins in presence of NADPH
50015252	3	ChEMBL_2160241 (CHEMBL5044991)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 to 45 mins in presence of NADPH
50015252	4	ChEMBL_2160242 (CHEMBL5044992)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 to 45 mins in presence of NADPH
50015252	5	ChEMBL_2160243 (CHEMBL5044993)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 45 mins in presence of NADPH
50015253	1	ChEMBL_2160291 (CHEMBL5045041)	Inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli using linoleic acid as substrate by spectrophotometric assay
50015253	2	ChEMBL_2160292 (CHEMBL5045042)	Inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli using arachidonic acid as substrate by spectrophotometric assay
50015253	3	ChEMBL_2160294 (CHEMBL5045044)	Inhibition of recombinant human N-terminal His-tagged ALOX15 expressed in Escherichia coli Rosetta2(DE3)pLysS using linoleic acid as substrate by spectrophotometric assay
50015253	4	ChEMBL_2160295 (CHEMBL5045045)	Inhibition of recombinant human N-terminal His-tagged ALOX15 expressed in Escherichia coli Rosetta2(DE3)pLysS using arachidonic acid as substrate by spectrophotometric assay
50015253	5	ChEMBL_2160305 (CHEMBL5045055)	Non-competitive inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linoleic acid as substrate
50015253	6	ChEMBL_2160308 (CHEMBL5045058)	Mixed mode inhibition of wild type Rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using arachidonic acid as substrate
50015253	7	ChEMBL_2160314 (CHEMBL5045064)	Mixed mode inhibition of wild type Rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linoleic acid as substrate
50015254	1	ChEMBL_2160325 (CHEMBL5045075)	Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by biolayer interferometry assay
50015254	2	ChEMBL_2160327 (CHEMBL5045077)	Antagonist activity at human AR AF2 assessed as inhibition of fluorescent-labelled D11-FxxLF peptide Co-activator to receptor by TR-FRET assay
50015254	3	ChEMBL_2160328 (CHEMBL5045078)	Antagonist activity against human androgen receptor expressed in human LNCap cells trasfected with ARR2PB-eGFP cells incubated for 3 days by fluorescence based AR transcription assay
50015254	4	ChEMBL_2160360 (CHEMBL5045110)	Binding affinity to human AR LBD (663 to 920 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of DHT by biolayer interferometry assay
50015257	1	ChEMBL_2160362 (CHEMBL5045112)	Inhibition of wild type TrkA (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further incubated for 30 mins in presence of [gamma-33P]ATP by scintillation counting method
50015257	2	ChEMBL_2160363 (CHEMBL5045113)	Inhibition of wild type TrkB (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further incubated for 30 mins in presence of [gamma-33P]ATP by scintillation counting method
50015257	3	ChEMBL_2160364 (CHEMBL5045114)	Inhibition of wild type TrkC (unknown origin) using poly(Glu: Tyr) as substrate preincubated for 15 mins followed by substrate addition and further incubated for 30 mins in presence of [gamma-33P]ATP by scintillation counting method
50015257	4	ChEMBL_2160377 (CHEMBL5045127)	Inhibition of TrkA (unknown origin) by radiometric assay
50015257	5	ChEMBL_2160378 (CHEMBL5045128)	Inhibition of TrkB (unknown origin) by radiometric assay
50015257	6	ChEMBL_2160379 (CHEMBL5045129)	Inhibition of TrkC (unknown origin) by radiometric assay
50015257	7	ChEMBL_2160380 (CHEMBL5045130)	Inhibition of TrkA G595R mutant (unknown origin) by radiometric assay
50015257	8	ChEMBL_2160381 (CHEMBL5045131)	Inhibition of TrkA G667C mutant (unknown origin) by radiometric assay
50015257	9	ChEMBL_2160385 (CHEMBL5045135)	Binding affinity to TrkA (unknown origin) assessed as inhibition constant by radiometric assay
50015257	10	ChEMBL_2160386 (CHEMBL5045136)	Binding affinity to TrkB (unknown origin) assessed as inhibition constant by radiometric assay
50015257	11	ChEMBL_2160387 (CHEMBL5045137)	Binding affinity to TrkC (unknown origin) assessed as inhibition constant by radiometric assay
50015257	12	ChEMBL_2160388 (CHEMBL5045138)	Binding affinity to TrkA G595R mutant (unknown origin) assessed as inhibition constant by radiometric assay
50015257	13	ChEMBL_2160389 (CHEMBL5045139)	Binding affinity to TrkA G667C mutant (unknown origin) assessed as inhibition constant by radiometric assay
50015257	14	ChEMBL_2160407 (CHEMBL5045157)	Inhibition of human DDR1 in presence of ATP by radiometric assay
50015257	15	ChEMBL_2160408 (CHEMBL5045158)	Inhibition of human EphA8 in presence of ATP by radiometric assay
50015257	16	ChEMBL_2160409 (CHEMBL5045159)	Inhibition of human FES in presence of ATP by radiometric assay
50015257	17	ChEMBL_2160410 (CHEMBL5045160)	Inhibition of human Mer in presence of ATP by radiometric assay
50015257	18	ChEMBL_2160411 (CHEMBL5045161)	Inhibition of human PTK5 in presence of ATP by radiometric assay
50015257	19	ChEMBL_2160412 (CHEMBL5045162)	Inhibition of human RSE in presence of ATP by radiometric assay
50015257	20	ChEMBL_2160413 (CHEMBL5045163)	Inhibition of human TAK1 in presence of ATP by radiometric assay
50015263	1	ChEMBL_2160522 (CHEMBL5045272)	Inhibition of mouse MAGL using 2-AG as substrate incubated for 30 mins
50015263	2	ChEMBL_2160541 (CHEMBL5045291)	Inhibition of human MAGL using 2-AG as substrate incubated for 30 mins
50015264	1	ChEMBL_2160589 (CHEMBL5045339)	Negative allosteric modulation activity at human recombinant mGlur2 expressed in CHO cells in presence of cAMP by chemiluminescence based assay
50015264	2	ChEMBL_2160593 (CHEMBL5045343)	Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay
50015264	3	ChEMBL_2160609 (CHEMBL5045359)	Negative allosteric modulator activity at human recombinant mGlur2 expressed in HEK293 cells by calcium assay
50015267	1	ChEMBL_2160650 (CHEMBL5045400)	Time dependent inhibition of recombinant human CYP3A5 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system followed by substrate addition incubated for 30 mins by LC-MS/MS analysis
50015267	2	ChEMBL_2160653 (CHEMBL5045403)	Time dependent inhibition of recombinant human CYP3A4 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis
50015267	3	ChEMBL_2160654 (CHEMBL5045404)	Time dependent inhibition of recombinant human CYP3A5 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis
50015267	4	ChEMBL_2160655 (CHEMBL5045405)	Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis
50015267	5	ChEMBL_2160656 (CHEMBL5045406)	Time dependent inhibition of recombinant human CYP3A4 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system followed by substrate addition incubated for 30 mins by LC-MS/MS analysi
50015267	6	ChEMBL_2160657 (CHEMBL5045407)	Time dependent inhibition of recombinant human CYP3A7 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system followed by substrate addition incubated for 30 mins by LC-MS/MS analysi
50015267	7	ChEMBL_2160670 (CHEMBL5045420)	Inactivation of CYP3A4 in human liver microsomes assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP addition for 15 mins and midazolam addition after 10 mins in presence of NADPH-generating system by LC-MS/MS analysis
50015267	8	ChEMBL_2160671 (CHEMBL5045421)	Inactivation of recombinant human CYP3A4 assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP addition for 15 mins and midazolam addition after 10 mins in presence of NADPH-generating system by LC-MS/MS analysis
50015268	1	ChEMBL_2160715 (CHEMBL5045465)	Inhibition of human BTK using poly-Glu-Tyr (4:1) as substrate incubated for 1 hr by ELISA
50015268	2	ChEMBL_2160716 (CHEMBL5045466)	Inhibition of human ITK using poly-Glu-Tyr (4:1) as substrate incubated for 1 hr by ELISA
50015268	3	ChEMBL_2160717 (CHEMBL5045467)	Inhibition of GST-tagged human EGFR (668 to 1210 residues) expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate incubated for 1 hrs by ELISA
50015268	4	ChEMBL_2160720 (CHEMBL5045470)	Inhibition of BTK phosphorylation in human U-937 cells incubated for 4 hrs by Western blot assay
50015268	5	ChEMBL_2160721 (CHEMBL5045471)	Inhibition of ITK phosphorylation in human Jurkat cells incubated for 4 hrs by Western blot assay
50015268	6	ChEMBL_2160722 (CHEMBL5045472)	Inhibition of EGFR phosphorylation in human A549 cells incubated for 4 hrs by Western blot assay
50015271	1	ChEMBL_2160764 (CHEMBL5045514)	Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as dissociation constant by isothermal titration calorimetry
50015271	2	ChEMBL_2160765 (CHEMBL5045515)	Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as dissociation constant by surface plasmon resonance based inhibition-in-solution assay
50015271	3	ChEMBL_2160771 (CHEMBL5045521)	Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by surface plasmon resonance based inhibition-in-solution assay
50015271	4	ChEMBL_2160772 (CHEMBL5045522)	Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by isothermal titration calorimetry
50015271	5	ChEMBL_2160773 (CHEMBL5045523)	Binding affinity to Keap1 (unknown origin) at R415 assessed as dissociation constant by surface plasmon resonance based direct binding assay
50015272	1	ChEMBL_2160775 (CHEMBL5045525)	Transactivation of PXR (unknown origin)
50015272	2	ChEMBL_2160779 (CHEMBL5045529)	Agonist activity at STING in human THP1 Dual cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	3	ChEMBL_2160780 (CHEMBL5045530)	Agonist activity at STING in mouse RAW-Lucia ISG cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	4	ChEMBL_2160781 (CHEMBL5045531)	Agonist activity at STING in human THP1 Dual KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	5	ChEMBL_2160782 (CHEMBL5045532)	Agonist activity at STING in mouse RAW-Lucia ISG-KO-STING cells assessed as IRF reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	6	ChEMBL_2160783 (CHEMBL5045533)	Agonist activity at STING in human THP1-Dual cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	7	ChEMBL_2160784 (CHEMBL5045534)	Agonist activity at STING in human THP1-Dual KO-STING cells assessed as NF-kappaB reporter activation incubated for 20 hrs by quanti-blue SEAP reporter gene assay
50015272	8	ChEMBL_2160785 (CHEMBL5045535)	Displacement of fluorescein-labelled probe from wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based competition binding assay
50015272	9	ChEMBL_2160786 (CHEMBL5045536)	Displacement of fluorescein-labelled probe from wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) by time-resolved FRET-based competition binding assay
50015272	10	ChEMBL_2160787 (CHEMBL5045537)	Displacement of fluorescein-labelled probe from human cytoplasmic domain of STING G230A/R293Q double mutant (155 to 341 residues) by time-resolved FRET-based competition binding assay
50015272	11	ChEMBL_2160788 (CHEMBL5045538)	Binding affinity to wild type human His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated for 1 hr by time resolved FRET-based assay
50015272	12	ChEMBL_2160789 (CHEMBL5045539)	Binding affinity to human STING G230A/R293Q double mutant cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated for 1 hr by time-resolved FRET-based assay
50015272	13	ChEMBL_2160790 (CHEMBL5045540)	Binding affinity to wild type mouse His-tagged STING cytoplasmic domain (155 to 341 residues) assessed as induction of protein dimerization incubated for 1 hr by time resolved FRET-based assay
50015272	14	ChEMBL_2160811 (CHEMBL5045561)	Inhibition of human recombinant CYP2C19
50015272	15	ChEMBL_2160813 (CHEMBL5045563)	Inhibition of human recombinant CYP1A2
50015272	16	ChEMBL_2160814 (CHEMBL5045564)	Inhibition of human recombinant CYP2C9
50015272	17	ChEMBL_2160815 (CHEMBL5045565)	Inhibition of human recombinant CYP2D6
50015272	18	ChEMBL_2160816 (CHEMBL5045566)	Inhibition of human recombinant CYP2C8
50015272	19	ChEMBL_2160820 (CHEMBL5045570)	Activation of STING pathway harboring WT/WT genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	20	ChEMBL_2160821 (CHEMBL5045571)	Activation of STING pathway harboring WT/HAQ genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	21	ChEMBL_2160823 (CHEMBL5045573)	Activation of STING pathway harboring WT/R232H genotype in human PBMC cells assessed as increase in iFIT3 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	22	ChEMBL_2160824 (CHEMBL5045574)	Activation of STING pathway harboring WT/WT genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	23	ChEMBL_2160825 (CHEMBL5045575)	Activation of STING pathway harboring WT/HAQ genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	24	ChEMBL_2160826 (CHEMBL5045576)	Activation of STING pathway harboring WT/R232H genotype in human PBMC cells assessed as increase in MX1 mRNA expression incubated for 6 hrs by RT-PCR analysis
50015272	25	ChEMBL_2160836 (CHEMBL5045586)	Inhibition of human recombinant CYP3A4
50015273	1	ChEMBL_2160844 (CHEMBL5045594)	Inhibition of muscarinic M1 receptor (unknown origin) assessed as binding constant
50015273	2	ChEMBL_2160846 (CHEMBL5045596)	Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant
50015273	3	ChEMBL_2160848 (CHEMBL5045598)	Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
50015273	4	ChEMBL_2160849 (CHEMBL5045599)	Inhibition of dopamine D3 receptor (unknown origin) assessed as binding constant
50015273	5	ChEMBL_2160851 (CHEMBL5045601)	Inhibition of fluorescent antagonist binding to human P2Y14R expressed in CHO cells preincubated for 30 mins followed by 6-amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy 6-(4-(trifluoromethyl)phenyl)naphthalen-1-yl)phenyl)piperidin-1-yl)butyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)phenyl)-3-iminio-5-sulfo-3H-xanthene-4-sulfonate addition and measured after 30 mins by BD FACSCalibur flow cytometry analysis
50015273	6	ChEMBL_2160854 (CHEMBL5045604)	Inhibition of fluorescent antagonist binding to mouse P2Y14R expressed in HEK293 cells preincubated for 30 mins followed by addition of 6-amino-9-(2-carboxy-4-((6-(4-(4-(4-(4-(3-carboxy-6-(4-(trifluoromethyl)phenyl)naphthalen-1-yl)phenyl)piperidin-1-yl)butyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)phenyl)-3-iminio-5-sulfo-3H-xanthene-4-sulfonate incubated for 30 mins by BD FACSCalibur flow cytometry analysis
50015273	7	ChEMBL_2160856 (CHEMBL5045606)	Inhibition of sigma 1 receptor (unknown origin) assessed as binding constant
50015273	8	ChEMBL_2160857 (CHEMBL5045607)	Inhibition of dopamine D1 receptor (unknown origin) assessed as binding constant
50015273	9	ChEMBL_2160858 (CHEMBL5045608)	Inhibition of TSPO receptor (unknown origin) assessed as binding constant
50015273	10	ChEMBL_2160859 (CHEMBL5045609)	Inhibition of KOR (unknown origin) assessed as binding constant
50015273	11	ChEMBL_2160860 (CHEMBL5045610)	Inhibition of serotonin 5HT1D receptor (unknown origin) assessed as binding constant
50015273	12	ChEMBL_2160861 (CHEMBL5045611)	Inhibition of serotonin 5HT2C receptor (unknown origin) assessed as binding constant
50015273	13	ChEMBL_2160862 (CHEMBL5045612)	Inhibition of adrenergic beta 3 receptor (unknown origin) assessed as binding constant
50015273	14	ChEMBL_2160863 (CHEMBL5045613)	Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant
50015273	15	ChEMBL_2160864 (CHEMBL5045614)	Inhibition of SERT receptor (unknown origin) assessed as binding constant
50015273	16	ChEMBL_2160867 (CHEMBL5045617)	Inhibition of CYP1A2 (unknown origin)
50015273	17	ChEMBL_2160868 (CHEMBL5045618)	Inhibition of CYP2C9 (unknown origin)
50015273	18	ChEMBL_2160869 (CHEMBL5045619)	Inhibition of CYP2C19 (unknown origin)
50015273	19	ChEMBL_2160870 (CHEMBL5045620)	Inhibition of CYP2D6 (unknown origin)
50015273	20	ChEMBL_2160871 (CHEMBL5045621)	Inhibition of CYP3A4 (unknown origin)
50015273	21	ChEMBL_2160877 (CHEMBL5045627)	Inhibition of hERG channel by patch clamp assay
50015273	22	ChEMBL_2160896 (CHEMBL5045646)	Antagonist activity at human P2Y14 expressed in CHO cells assessed as inhibition of forskolin-induced increase of cAMP accumulation incubated for 15 mins in presence of IBMX
50015273	23	ChEMBL_2160897 (CHEMBL5045647)	Inhibition of fluorescent antagonist binding to human P2Y14 expressed in CHO cells incubated for 30 mins
50015273	24	ChEMBL_2160898 (CHEMBL5045648)	Antagonist activity at human ERG by patch clamp assay
50015277	1	ChEMBL_2160899 (CHEMBL5045649)	Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone H4 peptides as substrate incubated for 30 mins by TR-FRET assay
50015277	2	ChEMBL_2160902 (CHEMBL5045652)	Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone H4 peptides as substrate incubated for 30 mins by TR-FRET assay
50015277	3	ChEMBL_2160903 (CHEMBL5045653)	Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone H4 peptides as substrate by TR-FRET artifact assay
50015277	4	ChEMBL_2160904 (CHEMBL5045654)	Displacement of Alexafluor 647-JQ1 from GST-BRD4 BD1 BD2 (44 to 460 residues) (unknown origin) incubated for 60 mins by fluorescence polarization assay
50015277	5	ChEMBL_2160906 (CHEMBL5045656)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2A BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated for 18 hrs by NanoBRET assay
50015277	6	ChEMBL_2160907 (CHEMBL5045657)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated for 18 hrs in presence of efflux inhibitor reversan by NanoBRET assay
50015277	7	ChEMBL_2160908 (CHEMBL5045658)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated for 18 hrs in presence of efflux inhibitor verapamil by NanoBRET assay
50015277	8	ChEMBL_2160909 (CHEMBL5045659)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-ATAD2 BD (962 to 1119 residues) (unknown origin) transfected in human HCT116 cells incubated for 18 hrs in presence of efflux inhibitor elacridar by NanoBRET assay
50015277	9	ChEMBL_2160910 (CHEMBL5045660)	Displacement of Halo-tagged Histone H3.3 from Nanoluc-BRD4 BD1/BD2 (44 to 460 residues) (unknown origin) transfected in human HCT116 cells incubated for 18 hrs by NanoBRET assay
50015277	10	ChEMBL_2160942 (CHEMBL5045692)	Binding affinity to human ATAD2B bromodomain assessed as dissociation constant by BROMOscan method
50015277	11	ChEMBL_2160943 (CHEMBL5045693)	Binding affinity to human BRD2 bromodomain 1 assessed as dissociation constant by BROMOscan method
50015277	12	ChEMBL_2160944 (CHEMBL5045694)	Binding affinity to human BRD2 bromodomain 2 assessed as dissociation constant by BROMOscan method
50015277	13	ChEMBL_2160945 (CHEMBL5045695)	Binding affinity to human BRD3 bromodomain 2 assessed as dissociation constant by BROMOscan method
50015277	14	ChEMBL_2160946 (CHEMBL5045696)	Binding affinity to human BRD9 bromodomain by BROMOscan method
50015277	15	ChEMBL_2160947 (CHEMBL5045697)	Binding affinity to human BRDT bromodomain 1 assessed as dissociation constant by BROMOscan method
50015277	16	ChEMBL_2160948 (CHEMBL5045698)	Binding affinity to human CECR2 bromodomain assessed as dissociation constant by BROMOscan method
50015277	17	ChEMBL_2160949 (CHEMBL5045699)	Binding affinity to human EP300 bromodomain assessed as dissociation constant by BROMOscan method
50015277	18	ChEMBL_2160950 (CHEMBL5045700)	Binding affinity to human FALZ bromodomain by BROMOscan method
50015277	19	ChEMBL_2160951 (CHEMBL5045701)	Binding affinity to human PBRM1 bromodomain 5 assessed as dissociation constant by BROMOscan method
50015277	20	ChEMBL_2160952 (CHEMBL5045702)	Binding affinity to human PCAF bromodomain assessed as dissociation constant by BROMOscan method
50015277	21	ChEMBL_2160953 (CHEMBL5045703)	Binding affinity to human SMARCA2 bromodomain assessed as dissociation constant by BROMOscan method
50015277	22	ChEMBL_2160954 (CHEMBL5045704)	Binding affinity to human TAF1 bromodomain 2 assessed as dissociation constant by BROMOscan method
50015277	23	ChEMBL_2160955 (CHEMBL5045705)	Binding affinity to human WDR9 bromodomain 2 assessed as dissociation constant by BROMOscan method
50015277	24	ChEMBL_2160961 (CHEMBL5045711)	Binding affinity to ATAD2 bromodomain (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by BROMOscan method
50015278	1	ChEMBL_2160971 (CHEMBL5045721)	Inhibition of human recombinant JAK3 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	2	ChEMBL_2160972 (CHEMBL5045722)	Inhibition of human recombinant EPHA1 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	3	ChEMBL_2160973 (CHEMBL5045723)	Inhibition of human recombinant EGFR incubated for 1 hrs by HTRF KinEASE TK assay
50015278	4	ChEMBL_2160975 (CHEMBL5045725)	Inhibition of human recombinant CDK2 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	5	ChEMBL_2160976 (CHEMBL5045726)	Inhibition of human recombinant CDK1 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	6	ChEMBL_2160977 (CHEMBL5045727)	Inhibition of human recombinant CDK6 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	7	ChEMBL_2160978 (CHEMBL5045728)	Inhibition of N-terminal GST tagged human recombinant wild type FLT-3 (564-993 residues) expressed in baculovirus infected Sf21 insect cells using TK peptide as substrate incubated for 1 hrs by HTRF KinEASE TK assay
50015278	8	ChEMBL_2160979 (CHEMBL5045729)	Inhibition of N-terminal GST tagged human recombinant FLT3 D835Y mutant (564 residue) expressed in baculovirus infected Sf21 insect cells using TK peptide as substrate incubated for 1 hrs by HTRF KinEASE TK assay
50015278	9	ChEMBL_2160980 (CHEMBL5045730)	Inhibition of N-terminal GST tagged human recombinant cKit (544 residue) expressed in baculovirus infected Sf21 insect cells using TK peptide as substrate incubated for 1 hrs by immunoblot analysis
50015278	10	ChEMBL_2160996 (CHEMBL5045746)	Inhibition of human recombinant ALK incubated for 1 hrs by HTRF KinEASE TK assay
50015278	11	ChEMBL_2161007 (CHEMBL5045757)	Inhibition of FLT3 downstream signalling in human MV4-11 cells assessed as reduction in autophosphorylation at tyr589/591 residue for 90 mins by Western blotting analysis
50015278	12	ChEMBL_2161008 (CHEMBL5045758)	Inhibition of human recombinant C terminal hFc tagged FLT3 (Asn27-Ser543 residues) expressed in HEK293 cells incubated for 1 hrs by HTRF KinEASE TK
50015278	13	ChEMBL_2161009 (CHEMBL5045759)	Inhibition of human recombinant TRKA incubated for 1 hrs by HTRF KinEASE TK assay
50015278	14	ChEMBL_2161010 (CHEMBL5045760)	Inhibition of human recombinant BMX incubated for 1 hrs by HTRF KinEASE TK assay
50015278	15	ChEMBL_2161011 (CHEMBL5045761)	Inhibition of human recombinant IGF1R incubated for 1 hrs by HTRF KinEASE TK assay
50015278	16	ChEMBL_2161012 (CHEMBL5045762)	Inhibition of human recombinant BTK incubated for 1 hrs by HTRF KinEASE TK assay
50015278	17	ChEMBL_2161013 (CHEMBL5045763)	Inhibition of human recombinant PAK1 incubated for 1 hrs by HTRF KinEASE TK assay
50015278	18	ChEMBL_2161014 (CHEMBL5045764)	Inhibition of human recombinant AURKA incubated for 1 hrs by HTRF KinEASE TK assay
50015278	19	ChEMBL_2161015 (CHEMBL5045765)	Inhibition of human recombinant WEE1 incubated for 1 hrs by HTRF KinEASE TK assay
50015279	1	ChEMBL_2161053 (CHEMBL5045803)	Inhibition of PI5P4Kbeta (unknown origin) by ADP-Glo assay
50015279	2	ChEMBL_2161055 (CHEMBL5045805)	Inhibition of PI5P4Kalpha (unknown origin) by ADP-Glo assay
50015279	3	ChEMBL_2161062 (CHEMBL5045812)	Binding affinity to ePL-tagged wild type PI5P4Kgamma (unknown origin) expressed in HEK293 cells incubated for 60 mins by InCell pulse thermal stabilization assay
50015279	4	ChEMBL_2161065 (CHEMBL5045815)	Binding affinity to PI5P4Kgamma (unknown origin) by KINOMEscan analysis
50015279	5	ChEMBL_2161066 (CHEMBL5045816)	Binding affinity to PI5P4Kbeta (unknown origin) by KINOMEscan analysis
50015279	6	ChEMBL_2161067 (CHEMBL5045817)	Inhibition of PI5P4Kalpha (unknown origin) incubated for 1 hr by TR-FRET assay
50015279	7	ChEMBL_2161068 (CHEMBL5045818)	Inhibition of GST-fused human recombinant PI5P4Kgamma expressed in Escherichia coli BL21 (DE3) using dipalmitoyl-PI5P and [gamma-32P]ATP as substrate incubated for 10 to 60 mins by radiometric 32P-ATP/PI5P incorporation assay
50015279	8	ChEMBL_2161071 (CHEMBL5045821)	Inhibition of PI5P4Kalpha (unknown origin) by bioluminescent assay
50015279	9	ChEMBL_2161072 (CHEMBL5045822)	Inhibition of PI5P4Kbeta (unknown origin) by fluorescence polarization assay
50015285	1	ChEMBL_2161076 (CHEMBL5045826)	Binding affinity to human ERalpha by competitive fluorometric receptor binding assay
50015285	2	ChEMBL_2161093 (CHEMBL5045843)	Induction of degradation of human ERalpha in MCF7 cells irradiated with 460 light for 30 mins
50015285	3	ChEMBL_2161094 (CHEMBL5045844)	Induction of degradation of human ERalpha in MCF7 cells irradiated with 460 light for 45 mins
50015286	1	ChEMBL_2161176 (CHEMBL5045926)	Binding affinity to human TAF1 BD 1 (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) by isothermal titration calorimetric analysis
50015286	2	ChEMBL_2161177 (CHEMBL5045927)	Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetric analysis
50015286	3	ChEMBL_2161178 (CHEMBL5045928)	Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetric analysis
50015286	4	ChEMBL_2161179 (CHEMBL5045929)	Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by q-PCR based bromoscan assay
50015286	5	ChEMBL_2161180 (CHEMBL5045930)	Binding affinity to human TAF1 BD 2 (1501 to 1635 residues) transfected in Escherichia coli BL21 (DE3) by Alphascreen assay
50015286	6	ChEMBL_2161181 (CHEMBL5045931)	Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at first phase by isothermal titration calorimetric analysis
50015286	7	ChEMBL_2161182 (CHEMBL5045932)	Binding affinity to human TAF1 tandem bromodomain (1373 to 1499 residues) transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at second phase by isothermal titration calorimetric analysis
50015286	8	ChEMBL_2161183 (CHEMBL5045933)	Binding affinity to TAF1 BD 2 (unknown origin) assessed as dissociation constant
50015286	9	ChEMBL_2161184 (CHEMBL5045934)	Binding affinity to TAF1 BD 1 (unknown origin) assessed as dissociation constant
50015286	10	ChEMBL_2161200 (CHEMBL5045950)	Binding affinity to TAF1 in HEK293T cells assessed as increase in TAF1 level by ITDR analysis
50015289	1	ChEMBL_2161284 (CHEMBL5046034)	Displacement of [3H] DPCPX from human recombinant A1 adenosine receptor expressed in CHO cells incubated for 60 mins by radioligand binding competition assay
50015289	2	ChEMBL_2161285 (CHEMBL5046035)	Displacement of [3H] ZM241385 from human recombinant A2A adenosine receptor expressed in HeLa cells incubated for 30 mins by radioligand binding competition assay
50015289	3	ChEMBL_2161286 (CHEMBL5046036)	Displacement of [3H] DPCPX from human recombinant A2B adenosine receptor expressed in HEK293 cells incubated for 30 mins by radioligand binding competition assay
50015289	4	ChEMBL_2161287 (CHEMBL5046037)	Displacement of [3H] NECA from human recombinant A3 receptor expressed in HeLa cells incubated for 180 mins by radioligand binding competition assay
50015289	5	ChEMBL_2161289 (CHEMBL5046039)	Antagonist activity at human recombinant adenosine A1 receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular calcium change incubated for 10 mins by microplate reader method
50015289	6	ChEMBL_2161290 (CHEMBL5046040)	Antagonist activity at human recombinant adenosine A2A receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular calcium change incubated for 10 mins by microplate reader method
50015289	7	ChEMBL_2161291 (CHEMBL5046041)	Antagonist activity at human recombinant adenosine A2B receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular calcium change incubated for 10 mins by microplate reader method
50015289	8	ChEMBL_2161292 (CHEMBL5046042)	Antagonist activity at human recombinant adenosine A3 receptor transfected in HEK293 cells co-transfected with Galpha15/16 assessed as intracellular calcium change incubated for 10 mins by microplate reader method
50015290	1	ChEMBL_2161330 (CHEMBL5046080)	Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual luciferase reporter gene based assay
50015290	2	ChEMBL_2161333 (CHEMBL5046083)	Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual luciferase reporter gene assay
50015291	1	ChEMBL_2161343 (CHEMBL5046093)	Antagonist activity at human PAR-1 expressed in HEK293 cells assessed as reduction in TRAP induced calcium signal at 3 uM by FLIPR analysis
50015291	2	ChEMBL_2161344 (CHEMBL5046094)	Inhibition of [35S]MK-499 binding to hERG expressed in HEK293 cells
50015291	3	ChEMBL_2161353 (CHEMBL5046103)	Inhibition of [35S]MK-499 binding to hERG expressed in HEK293 cells at 60 uM
50015293	1	ChEMBL_2161408 (CHEMBL5046158)	Inhibition of CAMK1B (unknown origin) at 1 uM by kinome scan method
50015293	2	ChEMBL_2161409 (CHEMBL5046159)	Inhibition of SGK (unknown origin) at 1 uM by kinome scan method
50015293	3	ChEMBL_2161410 (CHEMBL5046160)	Inhibition of FLT3 (unknown origin) at 1 uM by kinome scan method
50015293	4	ChEMBL_2161412 (CHEMBL5046162)	Inhibition of TNIK (unknown origin) at 1 uM by kinome scan method
50015293	5	ChEMBL_2161413 (CHEMBL5046163)	Inhibition of MYLK (unknown origin) at 1 uM by kinome scan method
50015293	6	ChEMBL_2161415 (CHEMBL5046165)	Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay
50015293	7	ChEMBL_2161416 (CHEMBL5046166)	Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay
50015293	8	ChEMBL_2161417 (CHEMBL5046167)	Inhibition of MEK4 (unknown origin) at 1 uM by kinome scan method
50015293	9	ChEMBL_2161418 (CHEMBL5046168)	Inhibition of TRKA (unknown origin) at 1 uM by kinome scan method
50015293	10	ChEMBL_2161419 (CHEMBL5046169)	Inhibition of YSK4 (unknown origin) at 1 uM by kinome scan method
50015293	11	ChEMBL_2161420 (CHEMBL5046170)	Inhibition of RSK4 (unknown origin) at 1 uM by kinome scan method
50015293	12	ChEMBL_2161421 (CHEMBL5046171)	Inhibition of FAK (unknown origin) at 1 uM by kinome scan method
50015293	13	ChEMBL_2161422 (CHEMBL5046172)	Inhibition of RSK2 (unknown origin) at 1 uM by kinome scan method
50015293	14	ChEMBL_2161423 (CHEMBL5046173)	Inhibition of MINK1 (unknown origin) at 1 uM by kinome scan method
50015293	15	ChEMBL_2161424 (CHEMBL5046174)	Inhibition of JNK1 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	16	ChEMBL_2161425 (CHEMBL5046175)	Inhibition of JNK2 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	17	ChEMBL_2161426 (CHEMBL5046176)	Inhibition of JNK3 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	18	ChEMBL_2161427 (CHEMBL5046177)	Inhibition of FAK (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	19	ChEMBL_2161428 (CHEMBL5046178)	Inhibition of RSK1 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	20	ChEMBL_2161429 (CHEMBL5046179)	Inhibition of RSK2 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	21	ChEMBL_2161430 (CHEMBL5046180)	Inhibition of RSK3 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
50015293	22	ChEMBL_2161459 (CHEMBL5046209)	Inhibition of DYRK1A (unknown origin) at 1 uM by kinomescan method
50015293	23	ChEMBL_2161460 (CHEMBL5046210)	Inhibition of DYRK1B (unknown origin) at 1 uM by kinomescan method
50015294	1	ChEMBL_2161474 (CHEMBL5046335)	Binding affinity to human CCL2 assessed as dissociation constant incubated for 3 mins by surface plasmon resonance analysis
50015294	2	ChEMBL_2161477 (CHEMBL5046338)	Binding affinity to human CCL5 assessed as dissociation constant incubated for 3 mins by surface plasmon resonance analysis
50015294	3	ChEMBL_2161480 (CHEMBL5046341)	Binding affinity to human CXCL8 assessed as dissociation constant incubated for 3 mins by surface plasmon resonance analysis
50015294	4	ChEMBL_2161481 (CHEMBL5046342)	Binding affinity to human CXCL12 assessed as dissociation constant incubated for 3 mins by surface plasmon resonance analysis
50015294	5	ChEMBL_2161484 (CHEMBL5046345)	Binding affinity to human CXCL10 assessed as dissociation constant incubated for 3 mins by surface plasmon resonance analysis
50015298	1	ChEMBL_2161537 (CHEMBL5046398)	Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting method
50015298	2	ChEMBL_2161539 (CHEMBL5046400)	Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting method
50015298	3	ChEMBL_2161541 (CHEMBL5046402)	Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation counting method
50015298	4	ChEMBL_2161552 (CHEMBL5046413)	Inhibition of ABL1 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	5	ChEMBL_2161553 (CHEMBL5046414)	Inhibition of ERN1 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	6	ChEMBL_2161554 (CHEMBL5046415)	Inhibition of FGFR1 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	7	ChEMBL_2161555 (CHEMBL5046416)	Inhibition of FLT3 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	8	ChEMBL_2161556 (CHEMBL5046417)	Inhibition of HIPK1 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	9	ChEMBL_2161557 (CHEMBL5046418)	Inhibition of MAPK8 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	10	ChEMBL_2161558 (CHEMBL5046419)	Inhibition of MAPK11 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	11	ChEMBL_2161559 (CHEMBL5046420)	Inhibition of MAPK14 (unknown origin) incubated for 1 hr by qPCR analysis
50015298	12	ChEMBL_2161560 (CHEMBL5046421)	Inhibition of ZAK (unknown origin) incubated for 1 hr by qPCR analysis
50015298	13	ChEMBL_2161561 (CHEMBL5046422)	Inhibition of NTRK2 (unknown origin) incubated for 1 hr by qPCR analysis
50015301	1	ChEMBL_2161625 (CHEMBL5046486)	Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintillation counting analysis
50015301	2	ChEMBL_2161626 (CHEMBL5046487)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane incubated for 60 mins by radioligand binding assay
50015301	3	ChEMBL_2161627 (CHEMBL5046488)	Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintillation counting analysis
50015301	4	ChEMBL_2161628 (CHEMBL5046489)	Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes incubated for 60 mins by microbeta scintillation counting analysis
50015301	5	ChEMBL_2161629 (CHEMBL5046490)	Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50015301	6	ChEMBL_2161630 (CHEMBL5046491)	Displacement of [3H]-(R)-(+)7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes incubated for 90 mins by microbeta scintillation counting analysis
50015301	7	ChEMBL_2161631 (CHEMBL5046492)	Agonist activity at human mu opioid receptor expressed in HEK293T cells assessed as Nb33 recruitment preincubated for 5 mins with coelenterazine followed by compound addition and measured after 10 mins by BRET assay
50015301	8	ChEMBL_2161633 (CHEMBL5046494)	Agonist activity at human mu opioid receptor expressed in HEK293T cells assessed as Galphai2 activation preincubated for 5 mins with coelenterazine followed by compound addition and measured after 10 mins by BRET assay
50015301	9	ChEMBL_2161635 (CHEMBL5046496)	Antagonist activity at human mu opioid receptor expressed in HEK293T cells assessed as Galphai2 activation preincubated with compound in D-PBS for 3 hrs followed by coelenterazine addition for 5 mins once again compound addition for 10 mins by BRET assay
50015301	10	ChEMBL_2161636 (CHEMBL5046497)	Agonist activity at human mu opioid receptor expressed in HEK293T cells assessed as arrestin-3 recruitment preincubated for 5 mins with coelenterazine followed by compound addition and measured after 10 mins by BRET assay
50015301	11	ChEMBL_2161638 (CHEMBL5046499)	Agonist activity at human dopamine D3 receptor expressed in HEK293T cells assessed as GalphaoA activation preincubated for 5 mins with coelenterazine followed by compound addition and measured after 10 mins by BRET assay
50015301	12	ChEMBL_2161640 (CHEMBL5046501)	Antagonist activity at human dopamine D3 opioid receptor expressed in HEK293T cells assessed as GalphaoA activation preincubated with compound in D-PBS for 3 hrs followed by coelenterazine addition for 5 mins once again compound addition for 10 mins by BRET assay
50015302	1	ChEMBL_2161645 (CHEMBL5046506)	Inhibition of human iNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr
50015302	2	ChEMBL_2161646 (CHEMBL5046507)	Inhibition of human nNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr
50015302	3	ChEMBL_2161647 (CHEMBL5046508)	Inhibition of human eNOS assessed as reduction in L-[3H]-citrulline level using L-[3H]-arginine as substrate incubated for 1 hr
50015302	4	ChEMBL_2161652 (CHEMBL5046513)	Binding affinity to recombinant human iNOS assessed as dissociation constant by surface plasmon resonance assay
50015304	1	ChEMBL_2161702 (CHEMBL5046563)	Inhibition of GSK-3-beta (unknown origin) by ADP Glo assay
50015304	2	ChEMBL_2161703 (CHEMBL5046564)	Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by ADP Glo kinase assay
50015305	1	ChEMBL_2161719 (CHEMBL5046580)	Inhibition of recombinant human DRAK1 using KKLNRTLSFAEPG as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	2	ChEMBL_2161720 (CHEMBL5046581)	Inhibition of full length recombinant human NIM1 using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	3	ChEMBL_2161721 (CHEMBL5046582)	Inhibition of human TrkA (440 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50015305	4	ChEMBL_2161722 (CHEMBL5046583)	Inhibition of human STK16 in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	5	ChEMBL_2161724 (CHEMBL5046585)	Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting method
50015305	6	ChEMBL_2161725 (CHEMBL5046586)	Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay
50015305	7	ChEMBL_2161726 (CHEMBL5046587)	Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay
50015305	8	ChEMBL_2161727 (CHEMBL5046588)	Displacement of tracer K5 from NLuc fused MARK4 (unknown origin) expressed in HEK293 cells by NanoBRET assay
50015305	9	ChEMBL_2161728 (CHEMBL5046589)	Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay
50015305	10	ChEMBL_2161731 (CHEMBL5046592)	Inhibition of recombinant human DRAK2 using KKRPQRRYSNVF as substrate after 120 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	11	ChEMBL_2161732 (CHEMBL5046593)	Inhibition of human AAK1 using peptide as substrate incubated for 120 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	12	ChEMBL_2161733 (CHEMBL5046594)	Inhibition of recombinant human BIKe using peptide as substrate incubated for 120 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	13	ChEMBL_2161737 (CHEMBL5046598)	Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	14	ChEMBL_2161738 (CHEMBL5046599)	Inhibition of human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting method
50015305	15	ChEMBL_2161739 (CHEMBL5046600)	Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	16	ChEMBL_2161740 (CHEMBL5046601)	Inhibition of human TTBK1 (1 to 479 residues) using Casein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting method
50015305	17	ChEMBL_2161742 (CHEMBL5046603)	Inhibition of recombinant human SIK2 (1 to 276 residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting method
50015305	18	ChEMBL_2161744 (CHEMBL5046605)	Inhibition of full length recombinant human IKKepsilon using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	19	ChEMBL_2161745 (CHEMBL5046606)	Inhibition of full length recombinant human ULK3 using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	20	ChEMBL_2161746 (CHEMBL5046607)	Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	21	ChEMBL_2161747 (CHEMBL5046608)	Inhibition of 1recombinant human BMPR2 (172 to 734 residues) using myelin basic protein as substrate incubated for 120 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	22	ChEMBL_2161748 (CHEMBL5046609)	Inhibition of full length recombinant human YANK2 using casein as substrate incubated for 120 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	23	ChEMBL_2161749 (CHEMBL5046610)	Inhibition of recombinant human ERBB2 (676 to 1255 residues) using poly(Glu:Tyr) as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	24	ChEMBL_2161750 (CHEMBL5046611)	Inhibition of full length recombinant human MYLK2 using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	25	ChEMBL_2161751 (CHEMBL5046612)	Inhibition of recombinant human ZIPK (1 to 290 residues) using KKLNRTLSFAEPG as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting method
50015305	26	ChEMBL_2161752 (CHEMBL5046613)	Inhibition of full length recombinant human NUAK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	27	ChEMBL_2161753 (CHEMBL5046614)	Inhibition of human ALK2 (147 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry assay
50015305	28	ChEMBL_2161754 (CHEMBL5046615)	Inhibition of recombinant human BMPR1B (148 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	29	ChEMBL_2161755 (CHEMBL5046616)	Inhibition of recombinant human ULK2 (1to 306 residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	30	ChEMBL_2161757 (CHEMBL5046618)	Inhibition of full length recombinant human CSNK2A2 using RRRDDDSDDD a substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	31	ChEMBL_2161758 (CHEMBL5046619)	Inhibition of full length recombinant human CSNK2A1 using RRRDDDSDDD as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	32	ChEMBL_2161759 (CHEMBL5046620)	Inhibition of full length recombinant human PIP5K1A using phosphatidylinositol 4-phosphate/phosphatidylserine as substrate incubated for 30 mins in presence of ATP by fluorescence based HTRF assay
50015305	33	ChEMBL_2161760 (CHEMBL5046621)	Inhibition of recombinant human PRP4 (663 to end residues) using casein as substrate incubated for 120 mins in presence of [gamma-33P-ATP] by radiometric scintillation assay
50015305	34	ChEMBL_2161761 (CHEMBL5046622)	Inhibition of NanoLuc-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	35	ChEMBL_2161762 (CHEMBL5046623)	Inhibition of NanoLuc-fused CSF1R (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	36	ChEMBL_2161763 (CHEMBL5046624)	Inhibition of NanoLuc-fused LRRK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	37	ChEMBL_2161764 (CHEMBL5046625)	Inhibition of NanoLuc-fused MYLK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	38	ChEMBL_2161765 (CHEMBL5046626)	Inhibition of NanoLuc-fused NUAK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	39	ChEMBL_2161766 (CHEMBL5046627)	Inhibition of NanoLuc-fused TYK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay
50015305	40	ChEMBL_2161769 (CHEMBL5046630)	Inhibition of CSF1R (unknown origin) by enzymatic assay
50015306	1	ChEMBL_2161776 (CHEMBL5046637)	Displacement of [3H]-ketanserin from human human 5-HT2A receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method
50015306	2	ChEMBL_2161777 (CHEMBL5046638)	Displacement of [3H]-LSD from human 5-HT6 receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method
50015306	3	ChEMBL_2161778 (CHEMBL5046639)	Displacement of [3H]-LSD from human 5-HT7 receptor transfected in CHO-K1 cells measured after 120 mins by scintillation counting method
50015306	4	ChEMBL_2161779 (CHEMBL5046640)	Displacement of [3H]-methylspiperone from human D2 receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting method
50015307	1	ChEMBL_2161827 (CHEMBL5046688)	Antagonist activity at human P2X7R expressed in HEK293 cells assessed as reduction in YO-PRO-1 iodide dye uptake preincubated for 30 mins followed by YO-PRO-1 iodide addition and measured after 2 hrs by fluorescence plate reader analysis
50015307	2	ChEMBL_2161829 (CHEMBL5046690)	Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced inward current at -60 mV preincubated for 30 mins followed by ATP addition by whole cell patch clamp assay
50015309	1	ChEMBL_2161846 (CHEMBL5046707)	Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
50015309	2	ChEMBL_2161847 (CHEMBL5046708)	Agonist activity at human S1P2 receptor expressed in CHO cells assessed as increase in calcium flux
50015309	3	ChEMBL_2161848 (CHEMBL5046709)	Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of calcium flux
50015309	4	ChEMBL_2161849 (CHEMBL5046710)	Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
50015309	5	ChEMBL_2161850 (CHEMBL5046711)	Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
50015309	6	ChEMBL_2161852 (CHEMBL5046713)	Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
50015309	7	ChEMBL_2161853 (CHEMBL5046714)	Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
50015309	8	ChEMBL_2161896 (CHEMBL5046757)	Inhibition of CYP450 in human liver microsomes
50015309	9	ChEMBL_2161899 (CHEMBL5046760)	Inhibition of human ERG by patch clamp method
50015309	10	ChEMBL_2161903 (CHEMBL5046764)	Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment
50015309	11	ChEMBL_2161915 (CHEMBL5046776)	Antagonist activity at S1P2 (unknown origin)
50015310	1	ChEMBL_2161922 (CHEMBL5046783)	Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication by particle gel assay
50015311	1	ChEMBL_2161992 (CHEMBL5046853)	Inhibition of EGFR del19 (unknown origin) using flurogenic substrate in presence of ATP by HTRF assay
50015311	2	ChEMBL_2161993 (CHEMBL5046854)	Inhibition of EGFR T790M/C797S double mutant (unknown origin) using flurogenic substrate in presence of ATP by HTRF assay
50015311	3	ChEMBL_2161994 (CHEMBL5046855)	Inhibition of wild type EGFR (unknown origin) using flurogenic substrate in presence of ATP by HTRF assay
50015312	1	ChEMBL_2162061 (CHEMBL5046922)	Inhibition of human PI3Kalpha by TR-FRET based Adapta assay
50015312	2	ChEMBL_2162062 (CHEMBL5046923)	Inhibition of human PI3Kbeta by TR-FRET based Adapta assay
50015312	3	ChEMBL_2162063 (CHEMBL5046924)	Inhibition of human PI3Kgamma by TR-FRET based Adapta assay
50015312	4	ChEMBL_2162064 (CHEMBL5046925)	Inhibition of human PI3Kdelta by TR-FRET based Adapta assay
50015312	5	ChEMBL_2162065 (CHEMBL5046926)	Inhibition of human MEK-1 by Lanthascreen TR-FRET assay
50015313	1	ChEMBL_2162106 (CHEMBL5046967)	Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regenerating system by EROD assay
50015314	1	ChEMBL_2162146 (CHEMBL5047007)	Substrate activity at PEPT1 in human Caco-2 cells assessed as inhibition of Gly-Sar substrate uptake by UPLC-MS/MS analysis
50015315	1	ChEMBL_2162313 (CHEMBL5047174)	Inhibition of TRKB (unknown origin) by PathHunter Enzyme Fragment Complementation assay
50015315	2	ChEMBL_2162314 (CHEMBL5047175)	Inhibition of TRKA (unknown origin) by PathHunter Enzyme Fragment Complementation assay
50015315	3	ChEMBL_2162315 (CHEMBL5047176)	Inhibition of TRKC (unknown origin) by PathHunter Enzyme Fragment Complementation assay
50015317	1	ChEMBL_2162331 (CHEMBL5047192)	Inhibition of CDK6/Cyclin D1 (unknown origin) using ULight-MBP peptide substrate in presence of ATP by TR-FRET assay
50015317	2	ChEMBL_2162344 (CHEMBL5047205)	Inhibition of CDK1/Cyclin B (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015317	3	ChEMBL_2162345 (CHEMBL5047206)	Inhibition of CDK2/Cyclin A (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015317	4	ChEMBL_2162346 (CHEMBL5047207)	Inhibition of CDK4/Cyclin D1 (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015317	5	ChEMBL_2162347 (CHEMBL5047208)	Inhibition of CDK6/Cyclin D1 (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015317	6	ChEMBL_2162348 (CHEMBL5047209)	Inhibition of CDK7/Cyclin H (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015317	7	ChEMBL_2162349 (CHEMBL5047210)	Inhibition of CDK9/Cyclin T1 (unknown origin) in presence of 33P-ATP incubated for 2 hrs by kinase selectivity assay
50015318	1	ChEMBL_2162437 (CHEMBL5047298)	Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50015318	2	ChEMBL_2162439 (CHEMBL5047300)	Inhibition of KRAS G12D mutant in human AGS cells assessed as reduction in ERK phosphorylation measured after 3 hrs by In-Cell Western assay
50015318	3	ChEMBL_2162446 (CHEMBL5047307)	Inhibition of human GDP-bound KRAS G12D mutant assessed as inhibition of SOS1-catalyzed nucleotide exchange by measuring KRAS G12D mutant/GTP/c-Raf1 complex formation incubated for 120 mins followed by incubation with SOS1 and GTP for 60 mins followed by addition of c-Raf1 for 60 mins and measured after 60 mins by AlphaLISA assay
50015318	4	ChEMBL_2162453 (CHEMBL5047314)	Inhibition of KRAS G12C mutant (unknown origin)
50015319	1	ChEMBL_2162454 (CHEMBL5047315)	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015319	2	ChEMBL_2162456 (CHEMBL5047317)	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015319	3	ChEMBL_2162457 (CHEMBL5047318)	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015319	4	ChEMBL_2162458 (CHEMBL5047319)	Inhibition of human CA12 preincubated for 15 mins by phenol red based stopped flow CO2 hydration assay
50015321	1	ChEMBL_2162475 (CHEMBL5047336)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method
50015321	2	ChEMBL_2162476 (CHEMBL5047337)	Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method
50015323	1	ChEMBL_2162494 (CHEMBL5047355)	Inhibition of hERG expressed in CHO cells at -80 mV holding potential measured after 4mins by automated patch-clamp assay
50015323	2	ChEMBL_2162511 (CHEMBL5047372)	Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system measured after 1 hr by Kinomescan method
50015323	3	ChEMBL_2162513 (CHEMBL5047374)	Inhibition of RIPK1 (unknown origin) using MBP and ATP as substrate preincubated for 10 mins followed by substrate addition and measured after 120 mins by ADP-Glo luminescence assay
50015325	1	ChEMBL_2162531 (CHEMBL5047392)	Inhibition of mouse AChE assessed as inhibition constant using acetylthiocholine iodide as substrate measured every 2 mins by lineweaver-burk plot analysis
50015325	2	ChEMBL_2162532 (CHEMBL5047393)	Inhibition of AChE in mouse cortical homogenate using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50015325	3	ChEMBL_2162533 (CHEMBL5047394)	Inhibition of BuChE in mouse serum using butyrylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50015325	4	ChEMBL_2162535 (CHEMBL5047396)	Agonist activity at human 5-HT1A receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50015325	5	ChEMBL_2162536 (CHEMBL5047397)	Inhibition of SERT (unknown origin) in HEK293 cells assessed as inhibition of 5-HT reuptake by spectrophotometric analysis
50015325	6	ChEMBL_2162538 (CHEMBL5047399)	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method
50015325	7	ChEMBL_2162543 (CHEMBL5047404)	Inhibition of recombinant AChE in human erythrocytes using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50015325	8	ChEMBL_2162544 (CHEMBL5047405)	Inhibition of norepinephrine transporter (unknown origin)
50015325	9	ChEMBL_2162545 (CHEMBL5047406)	Inhibition of dopamine transporter (unknown origin)
50015325	10	ChEMBL_2162560 (CHEMBL5047421)	Agonist activity at 5-HT1B receptor (unknown origin)
50015326	1	ChEMBL_2162564 (CHEMBL5047425)	Inhibition of 6His tagged AURORA B (1 to 344 residue) (unknown origin) using 5FAM-GRTGRRNSI-NH2 as substrate preincubated for 30 mins followed by substrate addition and further incubated for 60 mins in presence of ATP by fluorescence polarization assay
50015326	2	ChEMBL_2162565 (CHEMBL5047426)	Inhibition of GST-fused human JAK1 (854 to 1154 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 20 mins in presence of ATP by FRET assay
50015326	3	ChEMBL_2162566 (CHEMBL5047427)	Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in baculovirus expression system using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 20 mins in presence of ATP by FRET assay
50015326	4	ChEMBL_2162567 (CHEMBL5047428)	Inhibition of GST-fused human JAK3 (810 to 1100 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 20 mins in presence of ATP by FRET assay
50015326	5	ChEMBL_2162568 (CHEMBL5047429)	Inhibition of human TYK2 (888 to 1178 residues) expressed in insect cells using ULight-JAK-1 Tyr1023 peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 30 mins in presence of ATP by FRET assay
50015326	6	ChEMBL_2162570 (CHEMBL5047431)	Inhibition of human GST/6His-tagged VEGFR2 using Biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate incubated for 90 mins in presence of ATP by TR-FRET assay
50015326	7	ChEMBL_2162573 (CHEMBL5047434)	Inhibition of JAK1/JAK3 signalling in human PBMC assessed as inhibition of IL-2 stimulated IFN-gamma release incubated for 1 hr followed by IL-2 stimulation by MSD assay
50015326	8	ChEMBL_2162574 (CHEMBL5047435)	Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay
50015327	1	ChEMBL_2162605 (CHEMBL5047466)	Inhibition of wild type human SCP1 using pNPP as substrate incubated for 0.5 to 18 hrs followed by substrate addition by absorbance based analysis
50015327	2	ChEMBL_2162607 (CHEMBL5047468)	Covalent inhibition of wild type human SCP1 assessed as inhibition constant using Ac-EDLphosphoSPPSPPLPK-NH2 peptide as substrate preincubated for 0.5 to 18 hrs followed by substrate addition by malachite green reagent based assay
50015329	1	ChEMBL_2162813 (CHEMBL5047674)	Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins
50015329	2	ChEMBL_2162817 (CHEMBL5047678)	Inhibition of mouse vanin-1
50015329	3	ChEMBL_2162818 (CHEMBL5047679)	Inhibition of human plasma vanin-1 using pantetheine-7-amino-4-trifluoromethykournarin as substrate preincubated for 30 mins followed by substrate addition
50015329	4	ChEMBL_2162821 (CHEMBL5047682)	Inhibition of N-terminal FLAG/His6-tagged human biotinidase expressed in COS cells using biotinyl-7-amino-4-trifluoromethylcoumarin as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins
50015329	5	ChEMBL_2162836 (CHEMBL5047697)	Binding affinity to recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells assessed as dissociation constant by surface plasmon resonance analysis
50015329	6	ChEMBL_2162839 (CHEMBL5047700)	Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells at 10 uM by 1H NMR analysis
50015329	7	ChEMBL_2162859 (CHEMBL5047720)	Inhibition of mouse plasma vanin-1
50015329	8	ChEMBL_2162860 (CHEMBL5047721)	Inhibition of Wistar han rat serum vanin-1
50015329	9	ChEMBL_2162867 (CHEMBL5047728)	Inhibition of hERG
50015329	10	ChEMBL_2162876 (CHEMBL5047737)	Inhibition of caspase-1 (unknown origin)
50015329	11	ChEMBL_2162877 (CHEMBL5047738)	Inhibition of caspase-2 (unknown origin)
50015329	12	ChEMBL_2162878 (CHEMBL5047739)	Inhibition of caspase-3 (unknown origin)
50015330	1	ChEMBL_2162898 (CHEMBL5047759)	Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human WM 266-4 cells preincubated for 30 mins followed by VN substrate addition and measured after 1 hr by crystal violet based staining method
50015330	2	ChEMBL_2162899 (CHEMBL5047760)	Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human A549 cells preincubated for 30 mins followed by VN substrate addition and measured after 1 hr by crystal violet based staining method
50015335	1	ChEMBL_2162925 (CHEMBL5047786)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay
50015335	2	ChEMBL_2162926 (CHEMBL5047787)	Inhibition of mTOR (unknown origin) using U-Light-4E-BP1 peptide as a substrate in presence of ATP incubated for 45 mins by Lance ultra assay
50015335	3	ChEMBL_2162927 (CHEMBL5047788)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay
50015335	4	ChEMBL_2162928 (CHEMBL5047789)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay
50015335	5	ChEMBL_2162929 (CHEMBL5047790)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 60 mins by ADP-glo based luminescence assay
50015335	6	ChEMBL_2162968 (CHEMBL5047829)	Inhibition of CYP1A2 (unknown origin)
50015335	7	ChEMBL_2162969 (CHEMBL5047830)	Inhibition of CYP2C9 (unknown origin)
50015335	8	ChEMBL_2162970 (CHEMBL5047831)	Inhibition of CYP2C19 (unknown origin)
50015335	9	ChEMBL_2162971 (CHEMBL5047832)	Inhibition of CYP2D6 (unknown origin)
50015335	10	ChEMBL_2162972 (CHEMBL5047833)	Inhibition of CYP3A4 (unknown origin)
50015335	11	ChEMBL_2162973 (CHEMBL5047834)	Inhibition of human ERG transfected in CHO cells by automated patch method
50015336	1	ChEMBL_2163026 (CHEMBL5047887)	Inhibition of HDAC1 (unknown origin) using p53 (379 to 382 residues) (RHKK(Ac-AMC) as fluorogenic substrate incubated for 1 hrs by fluorescence based assay
50015336	2	ChEMBL_2163089 (CHEMBL5047950)	Inhibition of HDAC4 (unknown origin) using Boc-Lys(TFA)-AMC as fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015336	3	ChEMBL_2163090 (CHEMBL5047951)	Inhibition of HDAC8 (unknown origin) using p53 (379 to 382 residues) (RHKK(Ac-AMC) as fluorogenic substrate incubated for 2 hrs by fluorescence based assay
50015336	4	ChEMBL_2163091 (CHEMBL5047952)	Inhibition of HDAC11 (unknown origin) using Boc-Lys(TFA)-AMC as fluorogenic substrate incubated for 30 mins by fluorescence based assay
50015337	1	ChEMBL_2163191 (CHEMBL5048052)	Inhibition of human PRMT5 co-complexed with MEP50 in absence of MTA using biotin labelled histone H4 peptide (1 to15) as substrate assessed as inhibition of tritiated methyl group transfer from SAM to histone H4 preincubated for 20 mins followed by SAM addition and measured after 20 mins by scintillation counting analysis
50015337	2	ChEMBL_2163192 (CHEMBL5048053)	Inhibition of MTA-bound human PRMT5 co-complexed with MEP50 using biotin labelled histone H4 peptide (1 to 15) as substrate assessed as inhibition of tritiated methyl group transfer from SAM to histone H4 preincubated for 20 mins followed by SAM addition and measured after 20 mins by scintillation counting analysis
50015337	3	ChEMBL_2163193 (CHEMBL5048054)	Binding affinity to human PRMT5 assessed as dissociation constant by SPR analysis
50015337	4	ChEMBL_2163197 (CHEMBL5048058)	Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level incubated for 96 hrs by Western blot analysis
50015337	5	ChEMBL_2163198 (CHEMBL5048059)	Inhibition of PRMT5 methyltransferase activity in human HCT-116 cells expressing wild type MTAP assessed as inhibition of PRMT5- mediated SDMA modification level incubated for 96 hrs by Western blot analysis
50015337	6	ChEMBL_2163205 (CHEMBL5048066)	Binding affinity to human PRMT5 assessed as dissociation constant in presence of MTA by SPR analysis
50015337	7	ChEMBL_2163208 (CHEMBL5048069)	Binding affinity to human PRMT5 assessed as dissociation constant in presence of SAM by SPR analysis
50015337	8	ChEMBL_2163232 (CHEMBL5048093)	Binding affinity to MTA-bound human PRMT5 assessed as dissociation constant by SPR assay
50015337	9	ChEMBL_2163234 (CHEMBL5048095)	Inhibition of streptavidin sensor chip immobilized biotinylated human PRMT5/MEP50 assessed as dissociation constant by SPR analysis
50015337	10	ChEMBL_2163239 (CHEMBL5048100)	Inhibition of PRMT5/MEP50 (unknown origin) using Histone H2A as substrate
50015338	1	ChEMBL_2163502 (CHEMBL5048363)	Inhibition of recombinant human N- terminal His-tagged /TEV cleavage site fused GGPPS (1 to 300 residues) expressed in Escherichia coli BL21 (DE3) using FPP and IPP as substrates preincubated for 10 mins followed by substrate addition measured after 6 mins by by beckman coulter counting method
50015338	2	ChEMBL_2163505 (CHEMBL5048366)	Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound relative to control
50015339	1	ChEMBL_2163557 (CHEMBL5048418)	Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 baculovirus expression system using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	2	ChEMBL_2163559 (CHEMBL5048420)	Inhibition of human RET V804M mutant using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by Lineweaver-Burk plot analysis
50015339	3	ChEMBL_2163561 (CHEMBL5048422)	Inhibition of Aurora A (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	4	ChEMBL_2163562 (CHEMBL5048423)	Inhibition of CSF-1R (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	5	ChEMBL_2163563 (CHEMBL5048424)	Inhibition of MAP4K4 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	6	ChEMBL_2163564 (CHEMBL5048425)	Inhibition of NEK2 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	7	ChEMBL_2163565 (CHEMBL5048426)	Inhibition of TRKA (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015339	8	ChEMBL_2163566 (CHEMBL5048427)	Inhibition of FLT3 (unknown origin) using 5-FAM- peptide as substrate preincubated for 1 hr followed by substrate addition in presence of ATP by microfluidics assay
50015340	1	ChEMBL_2163584 (CHEMBL5048445)	Displacement of [3H]- CP55940 from human CB1R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis
50015340	2	ChEMBL_2163585 (CHEMBL5048446)	Displacement of [3H]- CP55940 from human CB2R expressed in CHO-K1 cells membrane by Cheng-Prusoff equation analysis
50015340	3	ChEMBL_2163586 (CHEMBL5048447)	Antagonist activity at human CB1R expressed in CHO-K1 cell membranes assessed as stimulation of [35S]-GTPgammaS binding by liquid scintillation counting method
50015340	4	ChEMBL_2163599 (CHEMBL5048460)	Inverse agonist activity at human CB1R expressed in CHO-K1 cell membrane assessed as increase in [35S]GTPgammaS binding
50015341	1	ChEMBL_2163607 (CHEMBL5048468)	Inhibition of kinase tracer 236 binding to His tagged recombinant human CDK8/cyclin C incubated for 60 min FRET based LanthaScreen Eu-Kinase binding assay
50015341	2	ChEMBL_2163615 (CHEMBL5048476)	Binding affinity to human HASPIN assessed as dissociation constant by KdELECT Discover assay
50015341	3	ChEMBL_2163616 (CHEMBL5048477)	Binding affinity to human MAP4K2 assessed as dissociation constant by KdELECT Discover assay
50015341	4	ChEMBL_2163617 (CHEMBL5048478)	Binding affinity to human MYO3B assessed as dissociation constant by KdELECT Discover assay
50015341	5	ChEMBL_2163626 (CHEMBL5048487)	Binding affinity to kinase tracer 236 binding to His tagged recombinant human CDK8/cyclinC assessed as dissociation constant by TR FRET based assay
50015341	6	ChEMBL_2163627 (CHEMBL5048488)	Binding affinity to recombinant human CDK19/cyclinC assessed as dissociation constant by TR FRET based assay
50015341	7	ChEMBL_2163663 (CHEMBL5048524)	Binding affinity to human CDK8 assessed as dissociation constant by KdELECT Discover assay
50015341	8	ChEMBL_2163664 (CHEMBL5048525)	Binding affinity to human CDK19 assessed as dissociation constant by KdELECT Discover assay
50015342	1	ChEMBL_2163665 (CHEMBL5048526)	Inhibition of FGFR1 (unknown origin) using Tyr 04 peptide substrate measured after 2 hrs by FRET assay
50015342	2	ChEMBL_2163666 (CHEMBL5048527)	Inhibition of FGFR4 (unknown origin) using Tyr 04 peptide substrate measured after 2 hrs by FRET assay
50015342	3	ChEMBL_2163667 (CHEMBL5048528)	Inhibition of FGFR2 (unknown origin) using Tyr 04 peptide substrate measured after 2 hrs by FRET assay
50015342	4	ChEMBL_2163668 (CHEMBL5048529)	Inhibition of FGFR3 (unknown origin) using Tyr 04 peptide substrate measured after 2 hrs by FRET assay
50015342	5	ChEMBL_2163697 (CHEMBL5048558)	Binding affinity to FGFR4 (unknown origin) assessed as dissociation constant by competition binding assay
50015344	1	ChEMBL_2163717 (CHEMBL5048578)	Binding affinity to DNA-tagged AKT1 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay
50015344	2	ChEMBL_2163718 (CHEMBL5048579)	Binding affinity to DNA-tagged AKT2 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay
50015344	3	ChEMBL_2163719 (CHEMBL5048580)	Binding affinity to DNA-tagged AKT3 (unknown origin) assessed as dissociation constant by q-PCR based competitive binding assay
50015345	1	ChEMBL_2163758 (CHEMBL5048619)	Inhibition of recombinant human full-length HDAC2 preincubated for 20 mins with DTT followed by enzyme addition and measured after 10 mins by Glo-luminescence assay
50015345	2	ChEMBL_2163759 (CHEMBL5048620)	Inhibition of recombinant human full-length HDAC2 incubated for 10 mins by Glo-luminescence assay
50015345	3	ChEMBL_2163764 (CHEMBL5048625)	Inhibition of HDAC1 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy
50015345	4	ChEMBL_2163765 (CHEMBL5048626)	Inhibition of HDAC2 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy
50015345	5	ChEMBL_2163766 (CHEMBL5048627)	Inhibition of HDAC3 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy
50015345	6	ChEMBL_2163767 (CHEMBL5048628)	Inhibition of HDAC6 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy
50015345	7	ChEMBL_2163768 (CHEMBL5048629)	Inhibition of HDAC8 in human DU-145 cells assessed as increase in histone H3 acetylation after 24 hrs by immunofluorescence microscopy
50015353	1	ChEMBL_2163801 (CHEMBL5048662)	Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition further incubated for 60 mins by EZ reader method
50015353	2	ChEMBL_2163802 (CHEMBL5048663)	Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition further incubated for 120 mins by EZ reader method
50015353	3	ChEMBL_2163804 (CHEMBL5048665)	Inhibition of full length N-terminal GST fused human CDK6 (1 to 326 residues)/CyclinD3 (1 to 292 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 120 mins by EZ reader method
50015353	4	ChEMBL_2163805 (CHEMBL5048666)	Inhibition of full length N-terminal GST fused human CDK7 (1 to 346 residues)/CyclinH (1 to 323 residues)/ MAT1 (1 to 309 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 90 mins by EZ reader method
50015353	5	ChEMBL_2163806 (CHEMBL5048667)	Inhibition of full length N-terminal GST fused human CDK9(1 to 372 residues)/ His- tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition and further incubated for 90 mins by EZ reader method
50015353	6	ChEMBL_2163810 (CHEMBL5048671)	Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay
50015356	1	ChEMBL_2163874 (CHEMBL5048735)	Inhibition of recombinant human full length C-terminal His tagged HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 insect cells using Ac-peptide as substrate incubated for 4 hrs
50015356	2	ChEMBL_2163876 (CHEMBL5048737)	Inhibition of recombinant human full length C-terminal His/FLAG tagged HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs
50015356	3	ChEMBL_2163878 (CHEMBL5048739)	Inhibition of human C-terminal His tagged HDAC3 (1 to 428 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs
50015356	4	ChEMBL_2163879 (CHEMBL5048740)	Inhibition of recombinant human full length N-terminal GST tagged HDAC6 (1 to 1215 residues) expressed in baculovirus-infected Sf9 cells using Ac-peptide as substrate incubated for 4 hrs
50015356	5	ChEMBL_2163880 (CHEMBL5048741)	Inhibition of recombinant human full length C-terminal His-tagged HDAC8 expressed in baculovirus-infected Sf9 insect cells using Ac-peptide as substrate incubated for 4 hrs followed by trypsin addition and further incubated for 2 hrs
50015356	6	ChEMBL_2163881 (CHEMBL5048742)	Inhibition of human C-terminal His-tagged SIRT2 (50 to 356 residues) expressed in Escherichia coli using Ac-peptide as substrate incubated for 4 hrs followed by trypsin addition and further incubated for 2 hrs
50015358	1	ChEMBL_2163935 (CHEMBL5048796)	Inhibition of recombinant human CYP2D6 using AMMC as substrate preincubated for 30 mins followed by substrate addition measured after 45 mins by fluorescence based assay
50015358	2	ChEMBL_2163940 (CHEMBL5048801)	Inhibition of alpha 2A adrenergic receptor (unknown origin)
50015358	3	ChEMBL_2163941 (CHEMBL5048802)	Inhibition of alpha 2C adrenergic receptor (unknown origin)
50015358	4	ChEMBL_2163942 (CHEMBL5048803)	Inhibition of mu opioid receptor (unknown origin)
50015358	5	ChEMBL_2163943 (CHEMBL5048804)	Inhibition of kappa opioid receptor (unknown origin)
50015358	6	ChEMBL_2163944 (CHEMBL5048805)	Inhibition of dopamine D2 receptor (unknown origin)
50015358	7	ChEMBL_2163945 (CHEMBL5048806)	Inhibition of M2 mAChR receptor (unknown origin)
50015358	8	ChEMBL_2163946 (CHEMBL5048807)	Inhibition of alpha7 nicotinic acetylcholine receptor (unknown origin)
50015358	9	ChEMBL_2163947 (CHEMBL5048808)	Inhibition of human ERG by [3H]]Astemizole binding assay
50015358	10	ChEMBL_2163964 (CHEMBL5048825)	Inhibition of CYP3A4 (unknown origin)
50015358	11	ChEMBL_2163965 (CHEMBL5048826)	Inhibition of CYP1A2(unknown origin)
50015358	12	ChEMBL_2163966 (CHEMBL5048827)	Inhibition of CYP2C19 (unknown origin)
50015358	13	ChEMBL_2163967 (CHEMBL5048828)	Inhibition of CYP2C9 (unknown origin)
50015358	14	ChEMBL_2163968 (CHEMBL5048829)	Inhibition of CYP2C8 (unknown origin)
50015359	1	ChEMBL_2163994 (CHEMBL5048855)	Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 5 mM glucose by plate reader analysis
50015359	2	ChEMBL_2164000 (CHEMBL5048861)	Activation of recombinant full length human liver glucokinase expressed in Escherichia coli incubated for 10 mins by plate reader analysis
50015359	3	ChEMBL_2164004 (CHEMBL5048865)	Inhibition of hERG by patch clamp method
50015359	4	ChEMBL_2164034 (CHEMBL5048895)	Inhibition of CYP1A2 (unknown origin)
50015359	5	ChEMBL_2164035 (CHEMBL5048896)	Inhibition of CYP2D6 (unknown origin)
50015359	6	ChEMBL_2164036 (CHEMBL5048897)	Inhibition of CYP2C9 (unknown origin)
50015359	7	ChEMBL_2164037 (CHEMBL5048898)	Inhibition of CYP2B6 (unknown origin)
50015359	8	ChEMBL_2164038 (CHEMBL5048899)	Inhibition of CYP2C19 (unknown origin)
50015359	9	ChEMBL_2164039 (CHEMBL5048900)	Inhibition of CYP3A4 (unknown origin)
50015359	10	ChEMBL_2164040 (CHEMBL5048901)	Inhibition of CYP2C8 (unknown origin)
50015359	11	ChEMBL_2164041 (CHEMBL5048902)	Inhibition of P-gp transporter (unknown origin)
50015359	12	ChEMBL_2164064 (CHEMBL5048925)	Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluorescent polarization assay
50015359	13	ChEMBL_2164066 (CHEMBL5048927)	Activation of recombinant human full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 2 mM glucose by plate reader analysis
50015359	14	ChEMBL_2164068 (CHEMBL5048929)	Activation of recombinant mouse full length liver glucokinase expressed in Escherichia coli incubated for 10 mins in presence of 12 mM glucose by plate reader analysis
50015360	1	ChEMBL_2164099 (CHEMBL5048960)	Inhibition of PD-1/PD-L1 (unknown origin) interaction pre-incubated for 15 mins and measured after 90 mins by TR-FRET assay
50015360	2	ChEMBL_2164100 (CHEMBL5048961)	Binding affinity to human PD-L1 assessed as dissociation constant by micro-scale thermophoresis analysis
50015360	3	ChEMBL_2164101 (CHEMBL5048962)	Binding affinity to mouse PD-L1 assessed as dissociation constant by micro-scale thermophoresis analysis
50015361	1	ChEMBL_2164142 (CHEMBL5049003)	Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay
50015361	2	ChEMBL_2164151 (CHEMBL5049012)	Inhibition of human MMP-2
50015361	3	ChEMBL_2164152 (CHEMBL5049013)	Inhibition of human MMP-14
50015362	1	ChEMBL_2164214 (CHEMBL5049075)	Inhibition of human GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometry
50015362	2	ChEMBL_2164220 (CHEMBL5049081)	Inhibition of mouse GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometry
50015362	3	ChEMBL_2164245 (CHEMBL5049106)	Inhibition of human SERT
50015362	4	ChEMBL_2164248 (CHEMBL5049109)	Inhibition of GCS in GBA mutant human fibroblasts assessed as reduction in glucosylceramide level incubated for 4 days by RapdiFire-MS/MS analysis
50015362	5	ChEMBL_2164252 (CHEMBL5049113)	Inhibition of human recombinant GCase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate incubated for 20 mins by fluorescence-based analysis
50015363	1	ChEMBL_2164280 (CHEMBL5049141)	Displacement of [3H]-5-CT from human 5-HT5A receptor at 100 uM incubated for 2 hr by radioligand binding assay
50015363	2	ChEMBL_2164281 (CHEMBL5049142)	Agonist activity at human 5-HT5A receptor transfected in HTLA cells assessed as increase in beta-arrestin 2 recruitment at 10 uM incubated for 18 to 20 hrs by bright-Glo reagent based Tango assay
50015363	3	ChEMBL_2164289 (CHEMBL5049150)	Binding affinity to 5-HT1AR (unknown origin) assessed as inhibition constant
50015363	4	ChEMBL_2164290 (CHEMBL5049151)	Binding affinity to 5-HT1BR (unknown origin) assessed as inhibition constant
50015363	5	ChEMBL_2164291 (CHEMBL5049152)	Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant
50015363	6	ChEMBL_2164292 (CHEMBL5049153)	Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant
50015363	7	ChEMBL_2164293 (CHEMBL5049154)	Binding affinity to 5-HT2BR (unknown origin) assessed as inhibition constant
50015363	8	ChEMBL_2164294 (CHEMBL5049155)	Binding affinity to 5-HT2CR (unknown origin) assessed as inhibition constant
50015363	9	ChEMBL_2164295 (CHEMBL5049156)	Binding affinity to 5-HT3 (unknown origin) assessed as inhibition constant
50015363	10	ChEMBL_2164296 (CHEMBL5049157)	Binding affinity to human 5-HT5AR
50015363	11	ChEMBL_2164301 (CHEMBL5049162)	Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay
50015363	12	ChEMBL_2164302 (CHEMBL5049163)	Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay
50015363	13	ChEMBL_2164303 (CHEMBL5049164)	Displacement of [3H]-5-CT from human 5-HT5A receptor incubated for 2 hr by radioligand binding assay
50015367	1	ChEMBL_2164304 (CHEMBL5049165)	Inhibition of human recombinant MAO-A expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by spectrofluorimetric analysis
50015367	2	ChEMBL_2164305 (CHEMBL5049166)	Inhibition of human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by spectrofluorimetric analysis
50015367	3	ChEMBL_2164306 (CHEMBL5049167)	Inhibition of human recombinant AChE by Ellman's spectrophotometric assay
50015367	4	ChEMBL_2164307 (CHEMBL5049168)	Inhibition of horse serum BChE by Ellman's spectrophotometric assay
50015367	5	ChEMBL_2164321 (CHEMBL5049182)	Inhibition of human recombinant CYP3A4 expressed in baculosomes by fluorescent homogenous assay
50015367	6	ChEMBL_2164322 (CHEMBL5049183)	Mixed type inhibition of human AChE by Lineweaver-Burk plot analysis
50015367	7	ChEMBL_2164323 (CHEMBL5049184)	Competitive inhibition of human recombinant MAO-B expressed in supersomes using kynuramine as substrate by Lineweaver-Burk plot analysis
50015367	8	ChEMBL_2164328 (CHEMBL5049189)	Binding affinity to human serum albumin assessed as dissociation rate constant by surface plasmon resonance assay
50015369	1	ChEMBL_2164341 (CHEMBL5049202)	Inhibition of full-length human MEK1 by TR-FRET assay
50015369	2	ChEMBL_2164346 (CHEMBL5049207)	Inhibition of CYP3A4 (unknown origin)
50015369	3	ChEMBL_2164351 (CHEMBL5049212)	Inhibition of wild-type human partial length TRKA (G475 to G790 residues) expressed in mammalian expression system by Kinomescan method
50015370	1	ChEMBL_2164373 (CHEMBL5049234)	Inhibition of N-terminal-His6 tagged recombinant human ALDH1A1 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluorimetric analysis
50015370	2	ChEMBL_2164374 (CHEMBL5049235)	Inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluorimetric analysis
50015370	3	ChEMBL_2164375 (CHEMBL5049236)	Inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 assessed as reduction in NADPH production using 4-NBA and NADP+ as substrate by fluorimetric analysis
50015370	4	ChEMBL_2164378 (CHEMBL5049239)	Competitive inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as increase in Km without change in Vmax using hexanal as substrate by Michaelis-Menten analysis
50015370	5	ChEMBL_2164381 (CHEMBL5049242)	Competitive inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 using 4-NBA and NADP+ as substrate by Michaelis-Menten based analysis
50015373	1	ChEMBL_2164400 (CHEMBL5049261)	Antagonist activity at human A2aR expressed in HEK293 cells assessed as reduction in NECA-induced cAMP production incubated for 20 mins in presence of 20 nM NECA by GloSensor cAMP detection assay
50015373	2	ChEMBL_2164401 (CHEMBL5049262)	Antagonist activity at human A2aR expressed in HEK293 cells assessed as reduction in cAMP production incubated for 60 mins by ultra LANCE cAMP detection assay
50015373	3	ChEMBL_2164405 (CHEMBL5049266)	Antagonist activity at human A2aR expressed in HEK293 cells assessed as reduction in NECA-induced cAMP production incubated for 20 mins in presence of 40 nM NECA by ultra LANCE cAMP detection assay
50015373	4	ChEMBL_2164406 (CHEMBL5049267)	Antagonist activity at human A2aR expressed in HEK293 cells assessed as reduction in NECA-induced cAMP production incubated for 20 mins in presence of 1 uM NECA by ultra LANCE cAMP detection assay
50015375	1	ChEMBL_2164414 (CHEMBL5049275)	Inhibition of coagulation factor XIa (unknown origin) assessed as chromogenic substrate hydrolysis using CS-21(66) as substrate incubated for 1 hr by spectrophotometer based microplate reader method
50015375	2	ChEMBL_2164415 (CHEMBL5049276)	Inhibition of plasma kallikrein (unknown origin) assessed as chromogenic substrate hydrolysis using CS-31(02) as substrate incubated for 1 hr by spectrophotometer based microplate reader method
50015375	3	ChEMBL_2164417 (CHEMBL5049278)	Inhibition of coagulation factor Xa (unknown origin) assessed as chromogenic substrate using CS-11(22) as substrate incubated for 1 hr by spectrophotometer based microplate reader method
50015375	4	ChEMBL_2164422 (CHEMBL5049283)	Inhibition of thrombin (unknown origin) assessed as chromogenic substrate using CS-10(38) as substrate incubated for 1 hr by spectrophotometer based microplate reader method
50015377	1	ChEMBL_2164492 (CHEMBL5049353)	Inhibition of OATP1B1 (unknown origin)
50015377	2	ChEMBL_2164528 (CHEMBL5049389)	Inhibition of hERG
50015379	1	ChEMBL_2164548 (CHEMBL5049409)	Inhibition of full-length recombinant human HDAC1 expressed in Baculovirus expression system using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based microtiter plate reader assay
50015379	2	ChEMBL_2164588 (CHEMBL5049449)	Inhibition of recombinant full length C-terminal GST tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based microtiter plate reader assay
50015379	3	ChEMBL_2164589 (CHEMBL5049450)	Inhibition of recombinant His-tagged human HDAC3 expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based microtiter plate reader assay
50015379	4	ChEMBL_2164590 (CHEMBL5049451)	Inhibition of full-length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based microtiter plate reader assay
50015379	5	ChEMBL_2164591 (CHEMBL5049452)	Inhibition of full-length recombinant C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubated for 30 mins by fluorescence based microtiter plate reader assay
50015382	1	ChEMBL_2164616 (CHEMBL5049477)	Inhibition of human recombinant MAO-A by fluorescence assay
50015382	2	ChEMBL_2164618 (CHEMBL5049479)	Inhibition of human recombinant MAO-B using tyramine as substrate by fluorescence assay
50015383	1	ChEMBL_2164642 (CHEMBL5049503)	Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellman's method
50015384	1	ChEMBL_2164664 (CHEMBL5049525)	Antagonist activity at mouse mu opioid receptor expressed in CHO cell membrane assessed as reduction in DAMGO-induced [3S]-GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counting method
50015384	2	ChEMBL_2164665 (CHEMBL5049526)	Displacement of [3H]-DAMGO from human recombinant mu opioid receptor by radioligand binding assay
50015384	3	ChEMBL_2164666 (CHEMBL5049527)	Binding affinity to mouse mu opioid receptor expressed in CHO cells in presence of naltrexone incubated for 1.5 hrs by competitive radioligand binding assay
50015384	4	ChEMBL_2164667 (CHEMBL5049528)	Binding affinity to human delta opioid receptor in presence of SNC80 incubated for 1.5 hrs by competitive radioligand binding assay
50015384	5	ChEMBL_2164668 (CHEMBL5049529)	Binding affinity to mouse kappa opioid receptor expressed in CHO cells in presence of U50488 incubated for 1.5 hrs by competitive radioligand binding assay
50015384	6	ChEMBL_2164672 (CHEMBL5049533)	Displacement of [3H]-DADLE from human recombinant delta opioid receptor by radioligand binding assay
50015384	7	ChEMBL_2164673 (CHEMBL5049534)	Displacement of [3H]-U69593 from human recombinant kappa opioid receptor by radioligand binding assay
50015384	8	ChEMBL_2164676 (CHEMBL5049537)	Antagonist activity at human recombinant mu opioid receptor assessed as reduction in DAMGO-induced [3S]-GTPgammaS binding
50015384	9	ChEMBL_2164685 (CHEMBL5049546)	Antagonist activity at kappa opioid receptor (unknown origin) expressed in CHO cell membrane assessed as reduction in U50,488H-induced [3S]-GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counting method
50015384	10	ChEMBL_2164687 (CHEMBL5049548)	Antagonist activity at human recombinant kappa opioid receptor assessed as reduction in U50,488H-induced [3S]-GTPgammaS binding
50015384	11	ChEMBL_2164688 (CHEMBL5049549)	Antagonist activity at human delta opioid receptor expressed in CHO cell membrane assessed as reduction in SNC80-induced [3S]-GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counting method
50015384	12	ChEMBL_2164690 (CHEMBL5049551)	Antagonist activity at human recombinant delta opioid receptor assessed as reduction in SNC80 induced [3S]-GTPgammaS binding
50015385	1	ChEMBL_2164694 (CHEMBL5049555)	Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by competitive binding assay
50015385	2	ChEMBL_2164697 (CHEMBL5049558)	Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by competitive binding assay
50015385	3	ChEMBL_2164698 (CHEMBL5049559)	Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by competitive binding assay
50015385	4	ChEMBL_2164701 (CHEMBL5049562)	Partial agonist activity at mouse mu opioid receptor expressed in CHO cell membranes incubated for 1.5 hrs by [35S]GTPgammaS binding based liquid scintillation counting method
50015385	5	ChEMBL_2164706 (CHEMBL5049567)	Antagonist activity at mouse kappa opioid receptor expressed in CHO cell membranes assessed as reduction in U50,488H induced [35S]GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counting method
50015385	6	ChEMBL_2164708 (CHEMBL5049569)	Antagonist activity against human delta opioid receptor expressed in CHO cell membrane assessed as reduction in SNC80 induced [35S]GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counting method
50015387	1	ChEMBL_2164736 (CHEMBL5049597)	Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incubated for 3 hrs in presence of ATP by electrophoretic analysis
50015387	2	ChEMBL_2164738 (CHEMBL5049599)	Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis
50015387	3	ChEMBL_2164739 (CHEMBL5049600)	Inhibition of CYP3A4 (unknown origin) using BFC as substrate
50015387	4	ChEMBL_2164764 (CHEMBL5049625)	Inhibition of CYP1A2 (unknown origin)
50015387	5	ChEMBL_2164765 (CHEMBL5049626)	Inhibition of CYP2C19 (unknown origin)
50015387	6	ChEMBL_2164766 (CHEMBL5049627)	Inhibition of CYP2C9 (unknown origin)
50015387	7	ChEMBL_2164767 (CHEMBL5049628)	Inhibition of CYP2D6 (unknown origin)
50015387	8	ChEMBL_2164768 (CHEMBL5049629)	Inhibition of CYP2B6 (unknown origin)
50015387	9	ChEMBL_2164769 (CHEMBL5049630)	Time dependent inhibition of CYP3A4 (unknown origin) using BSF as substrate measured at 5 mins
50015387	10	ChEMBL_2164770 (CHEMBL5049631)	Time dependent inhibition of CYP3A4 (unknown origin) using BSF as substrate measured at 30 mins
50015387	11	ChEMBL_2164771 (CHEMBL5049632)	Time dependent inhibition of CYP3A4 (unknown origin) using MDZ as substrate measured at 5 mins
50015387	12	ChEMBL_2164772 (CHEMBL5049633)	Time dependent inhibition of CYP3A4 (unknown origin) using TST as substrate measured at 30 mins
50015387	13	ChEMBL_2164773 (CHEMBL5049634)	Inhibition of human ERG by patch clamp assay
50015387	14	ChEMBL_2164774 (CHEMBL5049635)	Inhibition of OATP1B1 (unknown origin)
50015387	15	ChEMBL_2164775 (CHEMBL5049636)	Inhibition of OATP1B3 (unknown origin)
50015387	16	ChEMBL_2164776 (CHEMBL5049637)	Inhibition of NTCP (unknown origin)
50015387	17	ChEMBL_2164777 (CHEMBL5049638)	Inhibition of BSEP (unknown origin)
50015387	18	ChEMBL_2164778 (CHEMBL5049639)	Inhibition of MRP2 (unknown origin)
50015387	19	ChEMBL_2164779 (CHEMBL5049640)	Inhibition of OAT1 (unknown origin)
50015387	20	ChEMBL_2164780 (CHEMBL5049641)	Inhibition of OAT3 (unknown origin)
50015387	21	ChEMBL_2164781 (CHEMBL5049642)	Inhibition of BCRP (unknown origin)
50015387	22	ChEMBL_2164784 (CHEMBL5049645)	Inhibition of NET (unknown origin)
50015387	23	ChEMBL_2164858 (CHEMBL5049719)	Inhibition of BIKE (unknown origin)
50015387	24	ChEMBL_2164859 (CHEMBL5049720)	Inhibition of GAK (unknown origin)
50015387	25	ChEMBL_2164860 (CHEMBL5049721)	Inhibition of CRIK (unknown origin)
50015387	26	ChEMBL_2164861 (CHEMBL5049722)	Inhibition of LATS2 (unknown origin)
50015387	27	ChEMBL_2164862 (CHEMBL5049723)	Inhibition of MNK1 (unknown origin)
50015387	28	ChEMBL_2164863 (CHEMBL5049724)	Inhibition of MNK2 (unknown origin)
50015387	29	ChEMBL_2164877 (CHEMBL5049738)	Inhibition of GSK3A (unknown origin)
50015387	30	ChEMBL_2164878 (CHEMBL5049739)	Inhibition of PKG2 (unknown origin)
50015387	31	ChEMBL_2164879 (CHEMBL5049740)	Inhibition of PRK2 (unknown origin)
50015387	32	ChEMBL_2164880 (CHEMBL5049741)	Inhibition of ROCK2 (unknown origin)
50015387	33	ChEMBL_2164881 (CHEMBL5049742)	Time dependent inhibition of CYP3A4 (unknown origin) using MDZ as substrate measured at 30 mins
50015387	34	ChEMBL_2164882 (CHEMBL5049743)	Time dependent inhibition of CYP3A4 (unknown origin) using TST as substrate measured at 5 mins
50015388	1	ChEMBL_2164951 (CHEMBL5049812)	Inhibition of human recombinant NQO2
50015389	1	ChEMBL_2165223 (CHEMBL5050084)	Agonist activity at human OX2R expressed in CHO-K1 cells by FLIPR calcium flux assay
50015389	2	ChEMBL_2165224 (CHEMBL5050085)	Agonist activity at human OX1R expressed in CHO-K1 cells by FLIPR calcium flux assay
50015390	1	ChEMBL_2165239 (CHEMBL5050100)	Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method
50015390	2	ChEMBL_2165240 (CHEMBL5050101)	Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry
50015392	1	ChEMBL_2165247 (CHEMBL5050108)	Binding affinity to CRBN (unknown origin) measured by Fluorescent Polarization assay
50015392	2	ChEMBL_2165260 (CHEMBL5050121)	Binding affinity to JAK2 (unknown origin)
50015393	1	ChEMBL_2165289 (CHEMBL5050150)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50015393	2	ChEMBL_2165290 (CHEMBL5050151)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50015393	3	ChEMBL_2165291 (CHEMBL5050152)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50015393	4	ChEMBL_2165292 (CHEMBL5050153)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50015393	5	ChEMBL_2165293 (CHEMBL5050154)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50015393	6	ChEMBL_2165295 (CHEMBL5050156)	Inhibition of human ERG by patch-clamp assay
50015394	1	ChEMBL_2165307 (CHEMBL5050168)	Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication preincubated for 3 days followed by replacement with fresh medium containing compound and measured after 3 day by qPCR analysis
50015394	2	ChEMBL_2165320 (CHEMBL5050181)	Inhibition of recombinant human CYP1A2 by LC-MS/MS analysis
50015394	3	ChEMBL_2165321 (CHEMBL5050182)	Inhibition of recombinant human CYP2C9 by LC-MS/MS analysis
50015394	4	ChEMBL_2165322 (CHEMBL5050183)	Inhibition of recombinant human CYP2D6 by LC-MS/MS analysis
50015394	5	ChEMBL_2165324 (CHEMBL5050185)	Inhibition of recombinant human CYP3A4 using midazolam as substrate by LC-MS/MS analysis
50015394	6	ChEMBL_2165325 (CHEMBL5050186)	Inhibition of recombinant human CYP2C19 by LC-MS/MS analysis
50015394	7	ChEMBL_2165326 (CHEMBL5050187)	Inhibition of human ERG by LC-MS/MS analysis
50015394	8	ChEMBL_2165351 (CHEMBL5050212)	Inhibition of recombinant human CYP3A4 using testosterone as substrate by LC-MS/MS analysis
50015398	1	ChEMBL_2165457 (CHEMBL5050318)	Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by ITC method
50015398	2	ChEMBL_2165458 (CHEMBL5050319)	Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by ITC method
50015398	3	ChEMBL_2165459 (CHEMBL5050320)	Inhibition of BRD4-BD1 (unknown origin) (N44 to E168 residues) expressed in bacterial expression system assessed as dissociation constant by BROMOscan method
50015398	4	ChEMBL_2165460 (CHEMBL5050321)	Inhibition of BRD4-BD2 (unknown origin) (K333 to E460 residues) expressed in bacterial system assessed as dissociation constant by BROMOscan method
50015398	5	ChEMBL_2165461 (CHEMBL5050322)	Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by TR-FRET method
50015398	6	ChEMBL_2165462 (CHEMBL5050323)	Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method
50015398	7	ChEMBL_2165463 (CHEMBL5050324)	Inhibition of BRD3-BD1 (unknown origin) assessed as dissociation constant by TR-FRET method
50015398	8	ChEMBL_2165464 (CHEMBL5050325)	Inhibition of BRD3-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method
50015398	9	ChEMBL_2165465 (CHEMBL5050326)	Inhibition of BRD4-BD1 (unknown origin) incubated for 6 hrs by HTRF method
50015398	10	ChEMBL_2165466 (CHEMBL5050327)	Inhibition of BRD4-BD2 (unknown origin) incubated for 6 hrs by HTRF method
50015398	11	ChEMBL_2165468 (CHEMBL5050329)	Inhibition of BRD3-BD2 (unknown origin) incubated for 6 hrs by HTRF method
50015398	12	ChEMBL_2165469 (CHEMBL5050330)	Inhibition of BRD2-BD2 (unknown origin) incubated for 6 hrs by HTRF method
50015398	13	ChEMBL_2165470 (CHEMBL5050331)	Binding affinity to human partial length BRD2-BD2 (E348 to D455) expressed in bacterial system assessed as dissociation constant by BROMOscan method
50015398	14	ChEMBL_2165471 (CHEMBL5050332)	Binding affinity to human partial length BRD3-BD2 (G306 to P416) expressed in bacterial system assessed as dissociation constant by BROMOscan method
50015398	15	ChEMBL_2165472 (CHEMBL5050333)	Binding affinity to human partial length BRD4-BD2 (K333 to E460 residues) expressed in bacterial system assessed as dissociation constant by BROMOscan method
50015398	16	ChEMBL_2165473 (CHEMBL5050334)	Inhibition of BRD3-BD1 domain (unknown origin) incubated for 6 hrs by HTRF method
50015398	17	ChEMBL_2165475 (CHEMBL5050336)	Inhibition of BRD2-BD1 (unknown origin) incubated for 6 hrs by HTRF method
50015398	18	ChEMBL_2165476 (CHEMBL5050337)	Inhibition of BRD3-BD2 (unknown origin) assessed as dissociation constant by ITC method
50015399	1	ChEMBL_2165726 (CHEMBL5050587)	Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assay
50015399	2	ChEMBL_2165730 (CHEMBL5050591)	Inhibition of human ERG
50015399	3	ChEMBL_2165731 (CHEMBL5050592)	Inhibition of CYP3A4 (unknown origin)
50015399	4	ChEMBL_2165744 (CHEMBL5050605)	Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followed by stimulation and measured after 20 hrs by multiplate reader assay
50015399	5	ChEMBL_2165745 (CHEMBL5050606)	Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins followed by stimulation and measured after 20 hrs by AlphaLISA method
50015399	6	ChEMBL_2165746 (CHEMBL5050607)	Antagonist activity at human TLR9 expressed in human PBMC cells assessed as inhibition of ODN2216 stimulated IFNalpha level preincubated for 30 mins followed by stimulation and measured after 20 hrs by AlphaLISA method
50015399	7	ChEMBL_2165747 (CHEMBL5050608)	Antagonist activity at human TLR4 expressed in human PBMC cells assessed as inhibition of LPS stimulated TNF level preincubated for 30 mins followed by stimulation and measured after 20 hrs by multiplate reader assay
50015399	8	ChEMBL_2165749 (CHEMBL5050610)	Antagonist activity at human TLR8 expressed in human whole blood assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followed by stimulation and measured after 20 hrs by multiplate reader assay
50015399	9	ChEMBL_2165750 (CHEMBL5050611)	Antagonist activity at human TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins followed by stimulation and measured after 20 hrs by AlphaLISA method
50015399	10	ChEMBL_2165751 (CHEMBL5050612)	Antagonist activity at human TLR9 expressed in human whole blood assessed as inhibition of ODN2216 stimulated IFNalpha level preincubated for 30 mins followed by stimulation and measured after 20 hrs by AlphaLISA method
50015399	11	ChEMBL_2165752 (CHEMBL5050613)	Antagonist activity at human TLR4 expressed in human whole blood assessed as inhibition of LPS stimulated TNF level preincubated for 30 mins followed by stimulation and measured after 20 hrs by multiplate reader assay
50015399	12	ChEMBL_2165753 (CHEMBL5050614)	Antagonist activity at mouse TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins followed by stimulation and measured after 20 hrs by AlphaLISA method
50015400	1	ChEMBL_2165763 (CHEMBL5050624)	Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kinase-GLO reagent based assay
50015400	2	ChEMBL_2165786 (CHEMBL5050647)	Inhibition of IDH1 (unknown origin)
50015400	3	ChEMBL_2165787 (CHEMBL5050648)	Inhibition of IDH2 (unknown origin)
50015400	4	ChEMBL_2165788 (CHEMBL5050649)	Inhibition of PXR (unknown origin)
50015400	5	ChEMBL_2165789 (CHEMBL5050650)	Inhibition of CYP3A4 (unknown origin)
50015402	1	ChEMBL_2165791 (CHEMBL5050652)	Inhibition of Mycobacterium tuberculosis H37Rv recombinant DprE1 expressed in Escherichia coli assessed as formation of resorufin using FPR as substrate by Amplex Red hydrogen/peroxidase coupled assay
50015403	1	ChEMBL_2165848 (CHEMBL5050709)	Binding affinity to PPARgamma (unknown origin) by lanthascreen TR-FRET assay
50015403	2	ChEMBL_2165849 (CHEMBL5050710)	Agonist activity at Gal4-fused PPARgamma (unknown origin) expressed in human U2OS cells co-transfected with pSG5 expression vector preincubated for 40 hrs followed by substrate addition by microplate reader assay
50015403	3	ChEMBL_2165860 (CHEMBL5050721)	Inhibition of recombinant human CYP2C9 preincubated for 10 mins followed by NADPH addition and measured at 20 to 50 mins by LC-MS/MS analysis
50015403	4	ChEMBL_2165873 (CHEMBL5050734)	Inhibition of PPARgamma (unknown origin) phosphorylation at pS273 residue
50015404	1	ChEMBL_2165881 (CHEMBL5050742)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50015404	2	ChEMBL_2165882 (CHEMBL5050743)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50015404	3	ChEMBL_2165883 (CHEMBL5050744)	Inhibition of CDK2 (unknown origin)
50015404	4	ChEMBL_2165884 (CHEMBL5050745)	Inhibition of ERK2 (unknown origin) measured after 2 hr by ADP-glo assay
50015404	5	ChEMBL_2165886 (CHEMBL5050747)	Inhibition of ERK1 (unknown origin) measured after 2 hr by ADP-glo assay
50015404	6	ChEMBL_2165887 (CHEMBL5050748)	Inhibition of GSK3beta (unknown origin)
50015404	7	ChEMBL_2165889 (CHEMBL5050750)	Inhibition of human ERG
50015404	8	ChEMBL_2165890 (CHEMBL5050751)	Inhibition of CYP1A2 in human liver microsomes
50015404	9	ChEMBL_2165891 (CHEMBL5050752)	Inhibition of CYP2D6 in human liver microsomes
50015404	10	ChEMBL_2165892 (CHEMBL5050753)	Inhibition of CYP3A4 in human liver microsomes
50015404	11	ChEMBL_2165893 (CHEMBL5050754)	Inhibition of CYP2C19 in human liver microsomes
50015404	12	ChEMBL_2165894 (CHEMBL5050755)	Inhibition of CYP2C9 in human liver microsomes
50015404	13	ChEMBL_2165922 (CHEMBL5050783)	Inhibition of ERK1/2 in human COLO 205 cells assessed as inhibition of RSK phosphorylation
50015407	1	ChEMBL_2165923 (CHEMBL5050784)	Inhibition of PLD1 (unknown origin) expressed in human HEK cells by immunoprecipitation assay
50015407	2	ChEMBL_2165924 (CHEMBL5050785)	Inhibition of PLD2 (unknown origin) expressed in human HEK cells by immunoprecipitation
50015407	3	ChEMBL_2165934 (CHEMBL5050795)	Inhibition of CYP1A2 (unknown origin)
50015407	4	ChEMBL_2165935 (CHEMBL5050796)	Inhibition of CYP2B6 (unknown origin)
50015407	5	ChEMBL_2165936 (CHEMBL5050797)	Inhibition of CYP2D6 (unknown origin)
50015407	6	ChEMBL_2165937 (CHEMBL5050798)	Inhibition of CYP2C9 (unknown origin)
50015407	7	ChEMBL_2165938 (CHEMBL5050799)	Inhibition of CYP2C19 (unknown origin)
50015407	8	ChEMBL_2165939 (CHEMBL5050800)	Inhibition of CYP3A4 (unknown origin)
50015407	9	ChEMBL_2165940 (CHEMBL5050801)	Inhibition of human ERG
50015409	1	ChEMBL_2165960 (CHEMBL5050821)	Inhibition of KRAS G12C mutant (2 to 188 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition of SOS mediated nucleotide exchange at 21 degreeC for 15 mins by HTRF assay
50015409	2	ChEMBL_2165961 (CHEMBL5050822)	Inhibition of KRAS G12C mutant (2 to 188 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition of SOS mediated nucleotide exchange at 4 degreeC for 18 hrs by HTRF assay
50015409	3	ChEMBL_2165962 (CHEMBL5050823)	Inhibition of KRAS G12C mutant (2 to 188 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition of SOS mediated nucleotide exchange measured after 18 hrs by HTRF assay
50015409	4	ChEMBL_2165963 (CHEMBL5050824)	Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis
50015410	1	ChEMBL_2165964 (CHEMBL5050825)	Modulation of Keap1-Nrf2 protein-protein interaction in human U2OS cells assessed as inhibition of Keap1 by PathHunter assay
50015413	1	ChEMBL_2168502 (CHEMBL5053561)	Inhibition of 2-FAM-InsP5 binding to human SHIP2 catalytic domain (419 to 832 residues) assessed as change in polarization by fluorescence polarization based displacement assay
50015413	2	ChEMBL_2168503 (CHEMBL5053562)	Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as phosphate release using Ins(1,3,4,5)P4 as substrate incubated for 20 mins measured using microplate reader
50015413	3	ChEMBL_2168504 (CHEMBL5053563)	Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase activity assessed as inhibition of Ins(1,3,4,5)P4 production using Ins(1,3,4,5)P4 as substrate incubated for 20 mins measured using microplate reader
50015413	4	ChEMBL_2168507 (CHEMBL5053566)	Inhibition of human SHIP2 (419 to 732 residues) expressed in Escherichia coli by malachite green phosphate assay
50015413	5	ChEMBL_2168509 (CHEMBL5053568)	Inhibition of SHIP2 in serum-starved mouse Mm1 cells assessed as reduction in Akt phosphorylation incubated for 30 mins by Western blot analysis
50015414	1	ChEMBL_2168525 (CHEMBL5053584)	Inhibition of human TOP2A assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min
50015414	2	ChEMBL_2168526 (CHEMBL5053585)	Inhibition of human TOP2B assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min
50015415	1	ChEMBL_2168532 (CHEMBL5053591)	Inhibition of human LSD1 using K4me2 peptide as substrate measured after 10 mins by peroxidase-coupled reaction assay
50015415	2	ChEMBL_2168533 (CHEMBL5053592)	Inhibition of human LSD1/CoREST
50015418	1	ChEMBL_2168542 (CHEMBL5053601)	Inhibition of human recombinant N-terminal GST-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate preincubated for 5 mins followed by substrate addition by DCIP assay
50015420	1	ChEMBL_2168563 (CHEMBL5053622)	Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured after 4 hrs by Microbeta counter based analysis
50015420	2	ChEMBL_2168571 (CHEMBL5053630)	Binding affinity to RORalpha (unknown origin)
50015420	3	ChEMBL_2168572 (CHEMBL5053631)	Binding affinity to RORbeta (unknown origin)
50015421	1	ChEMBL_2168580 (CHEMBL5053639)	Displacement of fluorescent-labeled E2 from LBD of ERalpha (unknown origin) by TR-FRET assay
50015421	2	ChEMBL_2168581 (CHEMBL5053640)	Displacement of fluorescent-labeled E2 from LBD of ERbeta (unknown origin) by TR-FRET assay
50015421	3	ChEMBL_2168586 (CHEMBL5053645)	Antagonist activity at ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled PGC-1 coactivator recruitment incubated for 10 mins measured by TR-FRET assay
50015421	4	ChEMBL_2168587 (CHEMBL5053646)	Antagonist activity at ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled PGC-1 coactivator recruitment incubated for 30 mins measured by TR-FRET assay
50015421	5	ChEMBL_2168588 (CHEMBL5053647)	Antagonist activity at ERbeta (unknown origin) assessed as inhibition of fluorescein-labeled PGC-1 coactivator recruitment incubated for 30 mins measured by TR-FRET assay
50015421	6	ChEMBL_2168592 (CHEMBL5053651)	Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation by dual luciferase reporter gene assay
50015421	7	ChEMBL_2168593 (CHEMBL5053652)	Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation by dual luciferase reporter gene assay
50015422	1	ChEMBL_2168720 (CHEMBL5053779)	Agonist activity at APC-labeled RORgammat LBD (unknown origin) incubated for 1 hr in presence of europium labeled co-activator SRC1 by dual FRET assay
50015422	2	ChEMBL_2168721 (CHEMBL5053780)	Agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as maximum activation incubated for 1 hr in presence of europium labeled co-activator SRC1 by dual FRET assay relative to control
50015422	3	ChEMBL_2168722 (CHEMBL5053781)	Agonist activity at RORgammat in mouse CD4+ T cells assessed as induction of Th17 cells differentiation by measuring increase in IL17 production measured after 4 days by intracellular staining based flow cytometry
50015422	4	ChEMBL_2168724 (CHEMBL5053783)	Agonist activity at human RORgammat LBD expressed in HEK293T cells assessed as increase in Gal4 reporter gene transcription measured after 16 to 20 hrs by luciferase reporter gene assay
50015423	1	ChEMBL_2168733 (CHEMBL5053792)	Inhibition of GST-tagged AURA Ser123 to 401 residues) (unknown origin) expressed in Sf9 insect cells using tetra-LLRASLG peptide as substrate incubated for 90 mins in presence of ATP
50015423	2	ChEMBL_2168738 (CHEMBL5053797)	Inhibition of GST-tagged TRKA (G443 to G796 residues) (unknown origin) expressed in Sf9 insect cells using poly (Glu, Tyr) 4:1 as substrate incubated for 180 mins in presence of ATP by ATP-Kinase-Glo assay
50015423	3	ChEMBL_2168745 (CHEMBL5053804)	Inhibition of wildtype human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of [gamma-33P]ATP by hotspot kinase assay
50015423	4	ChEMBL_2168767 (CHEMBL5053826)	Inhibition of TRKB (unknown origin)
50015423	5	ChEMBL_2168768 (CHEMBL5053827)	Inhibition of TRKC (unknown origin)
50015423	6	ChEMBL_2168769 (CHEMBL5053828)	Inhibition of recombinant full length His-tagged human AURB expressed in baculovirus expression system using tetra-LLRASLG peptide as substrate incubated for 180 mins in presence of ATP
50015425	1	ChEMBL_2168797 (CHEMBL5053856)	Binding affinity to human H3R expressed in HEK293 cells by flow cytometric analysis
50015425	2	ChEMBL_2168798 (CHEMBL5053857)	Binding affinity in Nluc-hH3R assessed in HEK293 cells by NanoBRET binding assay
50015425	3	ChEMBL_2168803 (CHEMBL5053862)	Displacement of [3H]mepyramine from human H1R receptor expressed in HEK293 cells by radioligand competition binding assay
50015425	4	ChEMBL_2168804 (CHEMBL5053863)	Displacement of [3H]UR-DE25 from human H2R receptor expressed in HEK293 cells by radioligand competition binding assay
50015425	5	ChEMBL_2168805 (CHEMBL5053864)	Displacement of [3H]UR-P1294 from human H3R receptor expressed in HEK293 cells by radioligand competition binding assay
50015425	6	ChEMBL_2168806 (CHEMBL5053865)	Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells by radioligand competition binding assay
50015425	7	ChEMBL_2168816 (CHEMBL5053875)	Binding affinity in Nluc-hH3R assessed in HEK293T cells by NanoBRET binding assay
50015427	1	ChEMBL_2168906 (CHEMBL5053965)	Inhibition of recombinant METLL3 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in N6-methyladenosine level in oligonucleotide substrate by TR-FRET assay
50015427	2	ChEMBL_2168916 (CHEMBL5053975)	Thermal stabilization of recombinant METTL3 (354 to 580 residues) (unknown origin) expressed in HEK293T cells assessed as non-aggregated METTL3-ePL protein incubated for 1 hr and cells heated 46 degC by luminescence-based InCELL Pulse assay
50015427	3	ChEMBL_2168917 (CHEMBL5053976)	Thermal stabilization of endogenously expressing full length METTL3 in human MOLM-13 cells assessed as stabilized METTL3 incubated for at 54 degC by Western blotting based CETSA assay
50015428	1	ChEMBL_2168955 (CHEMBL5054014)	Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in CHO cells by radioligand completion assay relative to control
50015428	2	ChEMBL_2168956 (CHEMBL5054015)	Displacement of [3H]LSD from human recombinant 5-HT2C receptor expressed in HEK cells by radioligand completion assay relative to control
50015428	3	ChEMBL_2168957 (CHEMBL5054016)	Displacement of [3H]LSD from human recombinant 5-HT2B receptor expressed in HEK cells by radioligand completion assay relative to control
50015428	4	ChEMBL_2168958 (CHEMBL5054017)	Displacement of [3H]LSD from human recombinant 5-HT2A receptor expressed in HEK cells by radioligand completion assay relative to control
50015428	5	ChEMBL_2168959 (CHEMBL5054018)	Displacement of [3H]5-CT from human recombinant 5-HT7A receptor expressed in HEK cells by radioligand completion assay
50015428	6	ChEMBL_2168960 (CHEMBL5054019)	Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion assay relative to control
50015428	7	ChEMBL_2168961 (CHEMBL5054020)	Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in HEK cells measured after 60 to 90 mins by radioligand completion assay relative to control
50015428	8	ChEMBL_2168962 (CHEMBL5054021)	Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in CHO cells measured after 60 to 90 mins by radioligand completion assay relative to control
50015428	9	ChEMBL_2168974 (CHEMBL5054033)	Displacement of [3H]5-CT from human recombinant 5-HT1A receptor expressed in CHO cells measured after 60 to 90 mins by radioligand completion assay relative to control
50015429	1	ChEMBL_2168996 (CHEMBL5054055)	Binding affinity to His-tagged human CH1 domain of p300 (323 to 423 residues)expressed in Escherichia coli Rosetta (DE3)/CBP (unknown origin) by fluorescence polarization assay
50015430	1	ChEMBL_2169000 (CHEMBL5054059)	Antagonist activity at human CB2 Receptor expressed in CHO cell membranes measured after 24 hrs by HTRF assay
50015430	2	ChEMBL_2169001 (CHEMBL5054060)	Antagonist activity at human CB1 Receptor expressed in CHO cell membranes measured after 24 hrs by HTRF assay
50015431	1	ChEMBL_2169008 (CHEMBL5054067)	Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication preincubated for 3 days followed by replacement with fresh medium containing compound and measured after 3 days by QuantiGene assay
50015431	2	ChEMBL_2169046 (CHEMBL5054105)	Modulation of capsid assembly in HBV assessed as inhibition of viral DNA replication
50015432	1	ChEMBL_2169048 (CHEMBL5054107)	Binding affinity to Beclin 1 coiled coil domain (unknown origin) by isothermal titration calorimetry assay
50015433	1	ChEMBL_2169097 (CHEMBL5054156)	Inhibition of DDR1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	2	ChEMBL_2169100 (CHEMBL5054159)	Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	3	ChEMBL_2169101 (CHEMBL5054160)	Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	4	ChEMBL_2169102 (CHEMBL5054161)	Inhibition of RIPK2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	5	ChEMBL_2169103 (CHEMBL5054162)	Inhibition of ABL1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	6	ChEMBL_2169104 (CHEMBL5054163)	Inhibition of RPS6KA5 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015433	7	ChEMBL_2169105 (CHEMBL5054164)	Inhibition of p38beta (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50015436	1	ChEMBL_2169136 (CHEMBL5054195)	Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assay
50015436	2	ChEMBL_2169138 (CHEMBL5054197)	Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assay
50015436	3	ChEMBL_2169140 (CHEMBL5054199)	Inhibition of human full-length BMX (1 to 675 residues) expressed in baculovirus expression system by mobility shift assay
50015436	4	ChEMBL_2169141 (CHEMBL5054200)	Inhibition of human DDR1 (444 - 876 residues) expressed in baculovirus expression system by mobility shift assay
50015436	5	ChEMBL_2169142 (CHEMBL5054201)	Inhibition of human ITK (2 - 620 residues) expressed in baculovirus expression system by mobility shift assay
50015436	6	ChEMBL_2169143 (CHEMBL5054202)	Inhibition of human MUSK expressed in baculovirus expression system by mobility shift assay
50015436	7	ChEMBL_2169144 (CHEMBL5054203)	Inhibition of human full length SRC expressed in baculovirus expression system by mobility shift assay
50015436	8	ChEMBL_2169145 (CHEMBL5054204)	Inhibition of human TEC (359 - 631 residues) expressed in baculovirus expression system by mobility shift assay
50015436	9	ChEMBL_2169146 (CHEMBL5054205)	Inhibition of wild type BTK (unknown origin) in presence of 1 mM ATP by microplate reader assay
50015436	10	ChEMBL_2169147 (CHEMBL5054206)	Inhibition of BTK C481S mutant (unknown origin) in presence of 1 mM ATP by microplate reader assay
50015436	11	ChEMBL_2169148 (CHEMBL5054207)	Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue incubated for 24 hrs by Western blot analysis
50015436	12	ChEMBL_2169149 (CHEMBL5054208)	Inhibition of BTK in human Ramos cells assessed as reduction of IgM stimulated PLCgamma2 (Y1217) phosphorylation after 24 hrs by western blot assay
50015436	13	ChEMBL_2169150 (CHEMBL5054209)	Inhibition of BTK in human whole blood assessed as activation of anti-IgM-induced CD69 expression by flow cytometry analysis
50015436	14	ChEMBL_2169161 (CHEMBL5054220)	Inhibition of CYP1A2 (unknown origin)
50015436	15	ChEMBL_2169162 (CHEMBL5054221)	Inhibition of CYP2B6 (unknown origin)
50015436	16	ChEMBL_2169163 (CHEMBL5054222)	Inhibition of CYP2C19 (unknown origin)
50015436	17	ChEMBL_2169164 (CHEMBL5054223)	Inhibition of CYP2CD6 (unknown origin)
50015436	18	ChEMBL_2169165 (CHEMBL5054224)	Inhibition of CYP3A4 (unknown origin)
50015436	19	ChEMBL_2169166 (CHEMBL5054225)	Inhibition of CYP2C8 (unknown origin)
50015436	20	ChEMBL_2169167 (CHEMBL5054226)	Inhibition of CYP2C9 (unknown origin)
50015436	21	ChEMBL_2169168 (CHEMBL5054227)	Inhibition of human ERG
50015437	1	ChEMBL_2169226 (CHEMBL5054285)	Displacement of biotin-tagged LWAAQRYGRELRRMSDEFEGSFKGL from human BCL-XL expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay
50015437	2	ChEMBL_2169227 (CHEMBL5054286)	Displacement of biotin-tagged MRPEPATIAQELRRIGDEFNA from C-terminal His-tagged human BCL-2 (1` to 211 residues) expressed in Escherichia coli measured after 2 hrs by AlphaScreen assay
50015438	1	ChEMBL_2169241 (CHEMBL5054300)	Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay
50015438	2	ChEMBL_2169252 (CHEMBL5054311)	Inhibition of human BRD2 measured by TR-FRET assay
50015438	3	ChEMBL_2169253 (CHEMBL5054312)	Inhibition of human BRD3 measured by TR-FRET assay
50015438	4	ChEMBL_2169254 (CHEMBL5054313)	Inhibition of CYP1A2 (unknown origin)
50015438	5	ChEMBL_2169255 (CHEMBL5054314)	Inhibition of CYP2C9 (unknown origin)
50015438	6	ChEMBL_2169256 (CHEMBL5054315)	Inhibition of CYP2C19 (unknown origin)
50015438	7	ChEMBL_2169257 (CHEMBL5054316)	Inhibition of CYP2D6 (unknown origin)
50015438	8	ChEMBL_2169258 (CHEMBL5054317)	Inhibition of CYP3A4 (unknown origin)
50015438	9	ChEMBL_2169259 (CHEMBL5054318)	Inhibition of human ERG by flux assay
50015438	10	ChEMBL_2169260 (CHEMBL5054319)	Inhibition of human ERG by patch-clamp assay
50015439	1	ChEMBL_2169373 (CHEMBL5054432)	Binding affinity to human wild type P2X7R assessed as dissociation constant by microscale thermophoresis analysis
50015439	2	ChEMBL_2169375 (CHEMBL5054434)	Antagonist activity at human P2X7R expressed in differentiated human THP-1 cells assessed as reduction in BzATP induced YO-PRO uptake by cells incubated for 10 mins followed by compound addition and measured for 50 mins by fluorescence based analysis
50015439	3	ChEMBL_2169376 (CHEMBL5054435)	Antagonist activity at human P2X7R expressed in differentiated human THP-1 cells assessed as reduction in BzATP induced IL-1beta release incubated for 30 mins followed by BzATP addition and measured for 30 mins by ELISA
50015443	1	ChEMBL_2169455 (CHEMBL5054514)	Inhibition of human neutrophil elastase
50015444	1	ChEMBL_2169460 (CHEMBL5054519)	Inhibition of FLT3 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50015444	2	ChEMBL_2169461 (CHEMBL5054520)	Inhibition of FLT3-ITD mutant (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50015444	3	ChEMBL_2169463 (CHEMBL5054522)	Inhibition of FLT3 D835Y mutant (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr in presence of ATP by ELISA
50015445	1	ChEMBL_2169492 (CHEMBL5054551)	Displacement of fluorescent labeled-ligand from ERalpha (unknown origin) by competitive binding assay
50015446	1	ChEMBL_2169493 (CHEMBL5054552)	Agonist activity at human H2 receptor expressed in HEK293T-ARRB2 cells assessed as stimulation of beta-arrestin 2 recruitment
50015446	2	ChEMBL_2169496 (CHEMBL5054555)	Displacement of [3H]UR-DE257 from Gsalphas-coupled human H2R expressed in Sf9 cell membranes by competitive binding assay
50015446	3	ChEMBL_2169497 (CHEMBL5054556)	Binding affinity to human H2R expressed in HEK293T-qs5-HA cells by flow cytometry analysis
50015446	4	ChEMBL_2169498 (CHEMBL5054557)	Agonist activity at human H2 receptor expressed in Sf9 cell membranes co-exprssing GsalphaS assessed as stimulation of [35S]GTPgammaS binding incubated for 90 mins by scintillation counting analysis
50015446	5	ChEMBL_2169499 (CHEMBL5054558)	Agonist activity at NlucN/mini-Gi protein-fused human H2R stably expressed in HEK293T cells assessed as induction of mini-Gi protein recruitment using furimazine as substrate measured for 45 mins by luminescence assay
50015446	6	ChEMBL_2169501 (CHEMBL5054560)	Agonist activity at human H2 receptor expressed in HEK293T-ARRB1 cells assessed as stimulation of beta-arrestin 1 recruitment
50015447	1	ChEMBL_2169504 (CHEMBL5054563)	Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin) by HTRF assay
50015447	2	ChEMBL_2169505 (CHEMBL5054564)	Inhibition of PD-1/PDL1 protein-protein interaction (unknown origin)
50015447	3	ChEMBL_2169506 (CHEMBL5054565)	Inhibition of human PD-1/PDL1 protein-protein interaction measured after 30 mins by HTRF assay
50015450	1	ChEMBL_2169508 (CHEMBL5054567)	Inhibition of recombinant GSTP1 (unknown origin) using GSH substrate
50015451	1	ChEMBL_2169530 (CHEMBL5054589)	Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP production incubated for 30 mins in presence of forskolin by HitHunter chemiluminescence based assay
50015451	2	ChEMBL_2169532 (CHEMBL5054591)	Positive allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as beta-arrestin 2 recruitment incubated for 90 mins by PathHunter chemiluminescence based assay
50015451	3	ChEMBL_2169540 (CHEMBL5054599)	Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation spectrometry analysis
50015451	4	ChEMBL_2169542 (CHEMBL5054601)	Agonist activity at human CB1 receptor expressed in CHO cell membranes assessed as increase in [35S]GTPgammaS binding incubated for 30 mins by liquid scintillation spectrometry analysis
50015451	5	ChEMBL_2169546 (CHEMBL5054605)	Positive allosteric modulation of CB1 receptor in MF1 mouse vas deferens assessed as inhibition of AEA-induced electrically evoked vas deferens contraction incubated for 13 mins followed by electrical stimulation for 2 mins (Rvb= 460 nM)
50015452	1	ChEMBL_2169551 (CHEMBL5054610)	Agonist activity at human RORgamma in cytostim stimulated human PBMC cells assessed as increase in differentiation of TH17 cells by measuring IL-17 production preincubated with cytostim for 72 hrs by ELISA
50015452	2	ChEMBL_2169583 (CHEMBL5054642)	Agonist activity at N-terminal GST tagged human RORgamma LBD using fluorescein-D22 as coactivator incubated for 60 mins by Lanthascreen TR-FRET assay
50015452	3	ChEMBL_2169584 (CHEMBL5054643)	Antagonist activity at N-terminal GST tagged human RORgamma LBD using fluorescein-D22 as coactivator incubated for 60 mins by Lanthascreen TR-FRET assay
50015452	4	ChEMBL_2169587 (CHEMBL5054646)	Antagonist activity at human RORgamma in cytostim stimulated human PBMC cells assessed as decrease in differentiation of TH17 cells by measuring IL-17 production preincubated with cytostim for 72 hrs by ELISA
50015452	5	ChEMBL_2169590 (CHEMBL5054649)	Partial agonist activity at human RORgamma in cytostim stimulated human PBMC cells assessed as decrease in differentiation of TH17 cells by measuring IL-17 production preincubated with cytostim for 72 hrs by ELISA
50015453	1	ChEMBL_2169612 (CHEMBL5054671)	Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequence
50015453	2	ChEMBL_2169613 (CHEMBL5054672)	Inhibition of human recombinant BACE2 catalytic domain using FRET substrate with BACE-cleavable sequence
50015453	3	ChEMBL_2169614 (CHEMBL5054673)	Inhibition of human Cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate
50015453	4	ChEMBL_2169615 (CHEMBL5054674)	Inhibition of human Cathepsin E using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate
50015453	5	ChEMBL_2169616 (CHEMBL5054675)	Inhibition of wild type APP751 (unknown origin) expressed in CHO cells
50015453	6	ChEMBL_2169625 (CHEMBL5054684)	Binding affinity to human ERG
50015453	7	ChEMBL_2169650 (CHEMBL5054709)	Irreversible inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in presence of NADPH by mass spectrometry
50015453	8	ChEMBL_2169651 (CHEMBL5054710)	Irreversible inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by mass spectrometry
50015453	9	ChEMBL_2169652 (CHEMBL5054711)	Inhibition of human ERG by manual patch clamp assay
50015453	10	ChEMBL_2169653 (CHEMBL5054712)	Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta42 level
50015453	11	ChEMBL_2169654 (CHEMBL5054713)	Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta40 level
50015453	12	ChEMBL_2169688 (CHEMBL5054747)	Irreversible inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by mass spectrometry
50015453	13	ChEMBL_2169689 (CHEMBL5054748)	Inhibition of human BACE1
50015453	14	ChEMBL_2169690 (CHEMBL5054749)	Inhibition of human BACE2
50015453	15	ChEMBL_2169691 (CHEMBL5054750)	Inhibition of human cathepsin D
50015453	16	ChEMBL_2169692 (CHEMBL5054751)	Inhibition of human cathepsin E
50015453	17	ChEMBL_2169694 (CHEMBL5054753)	Inhibition of wild type human APP751 expressed in CHO cells assessed as reduction in amyloid beta(1 to 40 residues) level
50015456	1	ChEMBL_2169714 (CHEMBL5054773)	Binding affinity to VHL (unknown origin) assessed as displacement of HIF-1alpha by binary binding competitive fluorescence polarization assay
50015457	1	ChEMBL_2169739 (CHEMBL5054798)	Binding affinity to human recombinant ACE protein assessed as dissociation constant incubated for 15 mins by MTS binding analysis
50015458	1	ChEMBL_2169787 (CHEMBL5054846)	Inhibition of human recombinant PTP1B using pNPP as substrate assessed as reduction in p-nitrophenol release incubated for 30 mins by absorbance based analysis
50015458	2	ChEMBL_2169788 (CHEMBL5054847)	Inhibition of human recombinant TCPTP using pNPP as substrate assessed as reduction in p-nitrophenol release incubated for 30 mins by absorbance based analysis
50015458	3	ChEMBL_2169789 (CHEMBL5054848)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 50 mins by microplate reader analysis
50015459	1	ChEMBL_2169793 (CHEMBL5054852)	Inhibition of human NEK1 using myelin basic protein as substrate assessed as residual activity in presence of [gamma-33P]-ATP by radiometric hotspot kinase assay relative to control
50015460	1	ChEMBL_2169819 (CHEMBL5054878)	Inhibition of recombinant human PARP1 using NAD+ as substrate incubated for 1 hr by ELISA
50015460	2	ChEMBL_2169820 (CHEMBL5054879)	Inhibition of recombinant human PARP2 using NAD+ as substrate incubated for 1 hr by ELISA
50015460	3	ChEMBL_2169837 (CHEMBL5054896)	Binding affinity to recombinant human PARP1 assessed as dissociation constant by SPR assay
50015460	4	ChEMBL_2169838 (CHEMBL5054897)	Binding affinity to recombinant human PARP2 assessed as dissociation constant by SPR assay
50015464	1	ChEMBL_2169946 (CHEMBL5055005)	Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay
50015464	2	ChEMBL_2169947 (CHEMBL5055006)	Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay
50015464	3	ChEMBL_2169948 (CHEMBL5055007)	Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay
50015464	4	ChEMBL_2169949 (CHEMBL5055008)	Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay
50015464	5	ChEMBL_2169950 (CHEMBL5055009)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells by radioligand binding assay
50015464	6	ChEMBL_2169951 (CHEMBL5055010)	Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay
50015464	7	ChEMBL_2169952 (CHEMBL5055011)	Displacement of [3H]-Nisoxetine from human NET expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay
50015464	8	ChEMBL_2169953 (CHEMBL5055012)	Displacement of [3H]-citalopram from human SERT expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay
50015464	9	ChEMBL_2169954 (CHEMBL5055013)	Displacement of [3H]-WIN35428 from human DAT expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay
50015465	1	ChEMBL_2169956 (CHEMBL5055015)	Inhibition of recombinant BACE1 (unknown origin) using H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-NH2 peptide as substrate measured after 90 mins by analytical HPLC analysis
50015467	1	ChEMBL_2169991 (CHEMBL5055050)	Inhibition of recombinant FOXM1-DBD (unknown origin) binding to DNA measured after 30 mins by biochemical EMSA assay
50015468	1	ChEMBL_2170063 (CHEMBL5055122)	Inhibition of PARP1 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by microplate reader analysis
50015468	2	ChEMBL_2170065 (CHEMBL5055124)	Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	3	ChEMBL_2170067 (CHEMBL5055126)	Inhibition of recombinant PARP2 (unknown origin) incubated for 45 mins in presence of biotinylated-NAD+ by ELISA
50015468	4	ChEMBL_2170068 (CHEMBL5055127)	Inhibition of recombinant PLK1 (unknown origin) using lipid substrate measured after 40 mins by ADP-glo luminescence kinase assay
50015468	5	ChEMBL_2170070 (CHEMBL5055129)	Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	6	ChEMBL_2170071 (CHEMBL5055130)	Inhibition of recombinant BRD2 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	7	ChEMBL_2170072 (CHEMBL5055131)	Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	8	ChEMBL_2170073 (CHEMBL5055132)	Inhibition of recombinant BRD3 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	9	ChEMBL_2170077 (CHEMBL5055136)	Inhibition of recombinant BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	10	ChEMBL_2170078 (CHEMBL5055137)	Inhibition of recombinant BRD4 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	11	ChEMBL_2170079 (CHEMBL5055138)	Inhibition of recombinant BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	12	ChEMBL_2170080 (CHEMBL5055139)	Inhibition of recombinant BRDT BD2 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	13	ChEMBL_2170081 (CHEMBL5055140)	Inhibition of recombinant BRD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50015468	14	ChEMBL_2170082 (CHEMBL5055141)	Inhibition of P300 (unknown orign) using acetyl-CoA as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by microplate reader analysis
50015469	1	ChEMBL_2170243 (CHEMBL5055302)	Inhibition of human recombinant N-terminal His6-fusion tagged PanK3 expressed in Escherichia coli BL21 (DE3) measured after 10 mins in presence of ATP and D-[14C]-pantothenate by scintillation counting method
50015470	1	ChEMBL_2170254 (CHEMBL5055313)	Inhibition of recombinant human full length sEH assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated for 30 to 45 mins followed by substrate addition and measured after 30 to 45 mins by fluorescence assay
50015470	2	ChEMBL_2170255 (CHEMBL5055314)	Partial agonist activity at GAL4-tagged human PPARgamma LBD expressed in HEK293T cells incubated for 12 to 14 hrs by dual-Glo luciferase assay
50015470	3	ChEMBL_2170258 (CHEMBL5055317)	Inhibition of N-terminal His-tagged mouse sEH (2 to 554 residues) expressed in Escherichia coli Rosetta2 (DE3) assessed as reduction in 6-methoxy-2-naphthaldehyde formation using PHOME as substrate preincubated for 30 to 45 mins followed by substrate addition and measured after 30 to 45 mins by fluorescence assay
50015470	4	ChEMBL_2170276 (CHEMBL5055335)	Partial agonist activity at sGSF-PPARgamma (unknown origin) assessed as CBP-1 recruitment by HT-FRET assay
50015470	5	ChEMBL_2170278 (CHEMBL5055337)	Partial agonist activity at recombinant sGSF-PPARgamma (unknown origin) assessed as reduction in rosiglitazone induced CBP-1 recruitment incubated for 1 hr by HTRF competitive assay
50015471	1	ChEMBL_2170288 (CHEMBL5055347)	Displacement of [3H]PI-2620 from Tau in human brain homogenate incubated for 60 mins by radioligand binding assay
50015471	2	ChEMBL_2170289 (CHEMBL5055348)	Displacement of [18F]-FEH from MAO-A in mouse brain homogenate incubated for 60 mins by imaging analysis
50015474	1	ChEMBL_2170293 (CHEMBL5055352)	Binding affinity to CM5 immobilized N-terminal His/Sumo tagged Influenza A virus (A/WSN/1933(H1N1)) PB2 CBD (318 to 486 residues) expressed in Escherichia coli by surface plasmon resonance assay
50015475	1	ChEMBL_2170323 (CHEMBL5055382)	Binding affinity to wild-type human partial length AKT1 expressed in bacterial expression system assessed as residual binding level by Kinomescan method
50015475	2	ChEMBL_2170324 (CHEMBL5055383)	Binding affinity to wild-type human partial length AKT2 expressed in bacterial expression system assessed as residual binding level by Kinomescan method
50015475	3	ChEMBL_2170325 (CHEMBL5055384)	Binding affinity to wild-type human partial length AKT3 expressed in bacterial expression system assessed as residual binding level by Kinomescan method
50015476	1	ChEMBL_2170368 (CHEMBL5055427)	Inhibition of human DHODH using dihydroorotate substrate preincubated for 30 mins followed by substrate addition by DCIP based microplate reader analysis
50015477	1	ChEMBL_2170445 (CHEMBL5055504)	Inhibition of BRD2 BD1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	2	ChEMBL_2170446 (CHEMBL5055505)	Inhibition of BRD2 BD2 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	3	ChEMBL_2170447 (CHEMBL5055506)	Inhibition of BRD3 BD1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	4	ChEMBL_2170448 (CHEMBL5055507)	Inhibition of BRD3 BD2 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	5	ChEMBL_2170449 (CHEMBL5055508)	Inhibition of BRD4 BD1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	6	ChEMBL_2170450 (CHEMBL5055509)	Inhibition of BRD4 BD2 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	7	ChEMBL_2170451 (CHEMBL5055510)	Inhibition of BRD4 BD1/BD2 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	8	ChEMBL_2170452 (CHEMBL5055511)	Inhibition of BRDT BD1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	9	ChEMBL_2170453 (CHEMBL5055512)	Inhibition of BRDT BD2 (unknown origin) incubated for 2 hrs by TR-FRET assay
50015477	10	ChEMBL_2170454 (CHEMBL5055513)	Inhibition of CK1 (unknown origin)
50015477	11	ChEMBL_2170455 (CHEMBL5055514)	Inhibition of CK2 (unknown origin)
50015481	1	ChEMBL_2170548 (CHEMBL5055607)	Inhibition of C-terminal His-tagged WNV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) using Boc-GRK-AMC as substrate measured by flourescence based plate reader assay
50015481	2	ChEMBL_2170549 (CHEMBL5055608)	Competitive inhibition of C-terminal His-tagged WNV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) using Boc-GRK-AMC as substrate measured by flourescence based plate reader assay
50015481	3	ChEMBL_2170550 (CHEMBL5055609)	Inhibition of C-terminal His-tagged ZIKV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by addition of Boc-GKR-AMC substrate and measured by flourescence based plate reader assay
50015481	4	ChEMBL_2170551 (CHEMBL5055610)	Competitive inhibition of C-terminal His-tagged ZIKV NSB2 (52 to 96 amino acids)-NS3 (1 to 184 amino acids) protease expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by addition of Boc-GKR-AMC substrate and measured by flourescence based plate reader assay
50015481	5	ChEMBL_2170552 (CHEMBL5055611)	Inhibition of recombinant N-terminal His-tagged DENV NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-GRR-AMC as substrate measured by flourescence based plate reader assay
50015481	6	ChEMBL_2170553 (CHEMBL5055612)	Competitive inhibition of recombinant N-terminal His-tagged DENV NS2B-NS3 protease expressed in Escherichia coli BL21(DE3) using Boc-GRR-AMC as substrate measured by flourescence based plate reader assay
50015488	1	ChEMBL_2170557 (CHEMBL5055691)	Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liquid scintillation counting based radioligand competition assay
50015488	2	ChEMBL_2170558 (CHEMBL5055692)	Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in presence of veratridine by sodium influx assay
50015488	3	ChEMBL_2170559 (CHEMBL5055693)	Inhibition of human Nav1.5 expressed in HEK293 cells incubated for 1 hr in presence of veratridine and anthropleurin-C by sodium influx assay
50015488	4	ChEMBL_2170563 (CHEMBL5055697)	Inhibition of full length human Nav1.7 expressed in HEK cells by whole cell voltage clamp analysis
50015488	5	ChEMBL_2170564 (CHEMBL5055698)	Inhibition of full length human Nav1.1 expressed in HEK cells by whole cell voltage clamp analysis
50015488	6	ChEMBL_2170565 (CHEMBL5055699)	Inhibition of full length human Nav1.2 expressed in HEK cells by whole cell voltage clamp analysis
50015488	7	ChEMBL_2170566 (CHEMBL5055700)	Inhibition of full length human Nav1.4 expressed in HEK cells by whole cell voltage clamp analysis
50015488	8	ChEMBL_2170567 (CHEMBL5055701)	Inhibition of full length human Nav1.5 expressed in HEK cells by whole cell voltage clamp analysis
50015488	9	ChEMBL_2170568 (CHEMBL5055702)	Inhibition of human Nav1.6 expressed in CHO cells by whole cell voltage clamp analysis
50015488	10	ChEMBL_2170570 (CHEMBL5055704)	Inhibition of CYP3A4 (unknown origin)
50015489	1	ChEMBL_2170601 (CHEMBL5055735)	Displacement of [3H]-DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells incubated for 90 mins in presence of peptidase inhibitors
50015489	2	ChEMBL_2170602 (CHEMBL5055736)	Displacement of [3H]-Diprenorphine from kappa opiod receptor (unknown origin) expressed in CHO cells incubated for 90 mins in presence of peptidase inhibitors
50015490	1	ChEMBL_2170613 (CHEMBL5055747)	Binding affinity to human NPSR by radioligand binding assay
50015491	1	ChEMBL_2170664 (CHEMBL5055798)	Inhibition of CYP3A4 (unknown origin)
50015491	2	ChEMBL_2170665 (CHEMBL5055799)	Inhibition of CYP2D6 (unknown origin)
50015492	1	ChEMBL_2170667 (CHEMBL5055801)	Inhibition of human Bfl-1 (1 to 149 residues) expressed in Rosetta-gami (DE3) using biotinylated-BH3 peptide as substrate measured after 2 hrs by DELFIA displacement assay
50015492	2	ChEMBL_2170668 (CHEMBL5055802)	Inhibition of human Mcl-1 (179 to 323 residues) expressed in Escherichia coli BL21 using biotinylated-BH3 peptide as substrate measured after 2 hrs by DELFIA displacement assay
50015492	3	ChEMBL_2170672 (CHEMBL5055806)	Inhibition of human Mcl-1 assessed as inhibition constant by DELFIA displacement assay
50015495	1	ChEMBL_2170679 (CHEMBL5055813)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis
50015495	2	ChEMBL_2170680 (CHEMBL5055814)	Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis
50015495	3	ChEMBL_2170681 (CHEMBL5055815)	Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLIPR analysis
50015495	4	ChEMBL_2170683 (CHEMBL5055817)	Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay
50015495	5	ChEMBL_2170684 (CHEMBL5055818)	Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay
50015495	6	ChEMBL_2170685 (CHEMBL5055819)	Displacement of [3H]-A-804598 from mouse P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assay
50015495	7	ChEMBL_2170690 (CHEMBL5055824)	Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced current at -60 mV by whole cell QPatch electrophysiology
50015496	1	ChEMBL_2170776 (CHEMBL5055910)	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50015496	2	ChEMBL_2170777 (CHEMBL5055911)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50015498	1	ChEMBL_2170792 (CHEMBL5055926)	Inhibition of human BACE1
50015498	2	ChEMBL_2170793 (CHEMBL5055927)	Inhibition of APP751 (unknown origin) expressed in CHO cells
50015498	3	ChEMBL_2170795 (CHEMBL5055929)	Inhibition of human recombinant BACE1 catalytic domain using FRET substrate
50015498	4	ChEMBL_2170796 (CHEMBL5055930)	Inhibition of human recombinant BACE2 catalytic domain using FRET substrate
50015498	5	ChEMBL_2170797 (CHEMBL5055931)	Inhibition of human cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate
50015498	6	ChEMBL_2170798 (CHEMBL5055932)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spectrometry analysis
50015498	7	ChEMBL_2170799 (CHEMBL5055933)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spectrometry analysis
50015498	8	ChEMBL_2170800 (CHEMBL5055934)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated 10 mins in presence of NADPH by solid phase extraction mass spectrometry analysis
50015498	9	ChEMBL_2170803 (CHEMBL5055937)	Inhibition of wild type human APP expressed in CHO cells assessed as reduction in soluble APP beta level incubated for 24 hrs by immunoassay
50015498	10	ChEMBL_2170823 (CHEMBL5055957)	Inhibition of wild type human APP751 expressed in CHO cells incubated for 24 hrs by immunoassay
50015498	11	ChEMBL_2170825 (CHEMBL5055959)	Inhibition of human cathepsin E using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrate
50015498	12	ChEMBL_2170826 (CHEMBL5055960)	Inhibition of wild type human APP expressed in CHO cells assessed as reduction in amyloid beta 40 secretion incubated for 24 hrs by immunoassay
50015498	13	ChEMBL_2170828 (CHEMBL5055962)	Inhibition of wild type human APP expressed in CHO cells assessed as reduction in amyloid beta 42 secretion incubated for 24 hrs by immunoassay
50015498	14	ChEMBL_2170832 (CHEMBL5055966)	Inhibition of human ERG by patch clamp method
50015499	1	ChEMBL_2170837 (CHEMBL5055971)	Positive allosteric modulation of human recombinant alpha4beta1delta GABAA receptor expressed in delta-HEK cells assessed as potentiation of GABA-induced response in presence of GABA EC20 by FMP assay
50015503	1	ChEMBL_2170849 (CHEMBL5055983)	Binding affinity to rat alpha7 nAChRs assessed as dissociation constant
50015503	2	ChEMBL_2170854 (CHEMBL5055988)	Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	3	ChEMBL_2170855 (CHEMBL5055989)	Antagonist activity at rat alpha6/alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	4	ChEMBL_2170856 (CHEMBL5055990)	Antagonist activity at rat alpha3beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	5	ChEMBL_2170859 (CHEMBL5055993)	Antagonist activity at rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	6	ChEMBL_2170860 (CHEMBL5055994)	Antagonist activity at rat alpha2beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	7	ChEMBL_2170861 (CHEMBL5055995)	Antagonist activity at rat alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	8	ChEMBL_2170862 (CHEMBL5055996)	Antagonist activity at rat alpha4beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	9	ChEMBL_2170863 (CHEMBL5055997)	Antagonist activity at rat alpha4beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	10	ChEMBL_2170864 (CHEMBL5055998)	Antagonist activity at rat alpha9alpha10 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	11	ChEMBL_2170889 (CHEMBL5056023)	Antagonist activity at human alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential preincubated for 5 mins followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	12	ChEMBL_2170909 (CHEMBL5056043)	Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -100 mV holding potential incubated for 200 secs followed by acetyl choline stimulation by two- electrode voltage-clamp based electrophysiological method
50015503	13	ChEMBL_2170910 (CHEMBL5056044)	Antagonist activity at rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -80 mV holding potential incubated for 200 secs followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	14	ChEMBL_2170911 (CHEMBL5056045)	Antagonist activity at rat alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -80 mV holding potential incubated for 200 secs followed by Ach stimulation by voltage-clamp based electrophysiological method
50015503	15	ChEMBL_2170913 (CHEMBL5056047)	Antagonist activity at rat alpha6/alpha3beta4 nAChR
50015503	16	ChEMBL_2170914 (CHEMBL5056048)	Antagonist activity at rat alpha3beta4 nAChR
50015506	1	ChEMBL_2170916 (CHEMBL5056050)	Inhibition of human 20S constitutive proteasome beta-5c subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay
50015506	2	ChEMBL_2170917 (CHEMBL5056051)	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay
50015506	3	ChEMBL_2170930 (CHEMBL5056064)	Inhibition of human 20S immunoproteasome beta-2i subunit using Z-VLR-AMC as substrate measured over 1.5 to 2 hrs by plate reader assay
50015509	1	ChEMBL_2170974 (CHEMBL5056108)	Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization assay
50015509	2	ChEMBL_2170976 (CHEMBL5056110)	Binding affinity to GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 0.37 to 10 uM measured by BLI assay
50015509	3	ChEMBL_2170979 (CHEMBL5056113)	Binding affinity to His-tagged human N-terminal HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 1.1 to 30 uM measured by BLI assay
50015509	4	ChEMBL_2171020 (CHEMBL5056154)	Binding affinity to Grp94 (unknown origin) by fluorescent polarization assay
50015509	5	ChEMBL_2171021 (CHEMBL5056155)	Binding affinity to Hsp90alpha (unknown origin) by fluorescent polarization assay
50015511	1	ChEMBL_2171235 (CHEMBL5056369)	Binding affinity to His6-tagged CypA (unknown origin) expressed in Escherichia coli BL21 (DE3) incubation at 1 hr by multimode plate reader
50015512	1	ChEMBL_2171278 (CHEMBL5056412)	Inhibition of human recombinant CYP2D6 expressed in insect microsome using (3-[2-(N,N-dimethyl-N-methylammonium)-ethyl]-7-methoxy-4-methylcoumarin iodide as a substrate incubated for 30 mins followed by addition of NADPH regenerating system measured immediately by fluorescence based analysis
50015512	2	ChEMBL_2171279 (CHEMBL5056413)	Inhibition of human recombinant CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin as a substrate incubated for 30 mins followed by addition of NADPH regenerating system measured immediately by fluorescence based analysis
50015513	1	ChEMBL_2171306 (CHEMBL5056440)	Binding affinity to human ERG assessed as inhibition constant
50015513	2	ChEMBL_2171308 (CHEMBL5056442)	Inhibition of CYP2D6 (unknown origin) using quinidine as substrate
50015513	3	ChEMBL_2171309 (CHEMBL5056443)	Inhibition of CYP3A4 (unknown origin) using ketoconazole as substrate
50015513	4	ChEMBL_2171315 (CHEMBL5056449)	Inhibition of Sprague-Dawley rat brain microsome HO-2 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry
50015513	5	ChEMBL_2171316 (CHEMBL5056450)	Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry
50015514	1	ChEMBL_2171577 (CHEMBL5056711)	Inhibition of ABCG2 in mitoxantrone-selected ABCG2-overexpressing human NCI-H460/MX20 cells assessed as increase in intracellular mitoxantrone accumulation incubated for 1 hr in presence of mitoxantrone by flow cytometry
50015514	2	ChEMBL_2171578 (CHEMBL5056712)	Inhibition of ABCG2 in becatecarin-selected ABCG2-overexpressing human A549/Bec150 cells assessed as increase in intracellular mitoxantrone accumulation incubated for 1 hr in presence of mitoxantrone by flow cytometry
50015516	1	ChEMBL_2171587 (CHEMBL5056721)	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	2	ChEMBL_2171588 (CHEMBL5056722)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	3	ChEMBL_2171603 (CHEMBL5056737)	Inhibition of full length human HDAC2 using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	4	ChEMBL_2171604 (CHEMBL5056738)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	5	ChEMBL_2171605 (CHEMBL5056739)	Inhibition of human HDAC4 using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	6	ChEMBL_2171606 (CHEMBL5056740)	Inhibition of human HDAC5 using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	7	ChEMBL_2171607 (CHEMBL5056741)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	8	ChEMBL_2171608 (CHEMBL5056742)	Inhibition of human N-terminal GST tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	9	ChEMBL_2171609 (CHEMBL5056743)	Inhibition of full length human C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015516	10	ChEMBL_2171610 (CHEMBL5056744)	Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys(acetyl)-AMC as fluorogenic substrate measured after 1 hr by flourescence plate reader method
50015517	1	ChEMBL_2171635 (CHEMBL5056769)	Activation of human GCCR expressed in human HEK293 cells assessed as luminescence signal incubated for 16 hrs at 37C measured by CRE-driven luciferase reporter assay
50015517	2	ChEMBL_2171636 (CHEMBL5056770)	Activation of human GCCR expressed in human CHO-K1 cell lines assessed as intracellular cAMP generation incubated for 30 mins measured by HTRF assay
50015518	1	ChEMBL_2171647 (CHEMBL5056781)	Inhibition of full length N-terminal GST fusion tagged human BTK expressed in baculovirus expression system using FAM-P2 peptide solution as substrate incubated for 10 mins in presence of ATP by microplate reader assay
50015518	2	ChEMBL_2171651 (CHEMBL5056785)	Inhibition of wild type BTK (unknown origin)
50015518	3	ChEMBL_2171652 (CHEMBL5056786)	Inhibition of BTK C481S mutant (unknown origin)
50015521	1	ChEMBL_2171670 (CHEMBL5056804)	Inhibition of wild type Bcr-Abl (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50015521	2	ChEMBL_2171671 (CHEMBL5056805)	Inhibition of wild type Bcr-Abl T315I mutant (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50015522	1	ChEMBL_2171710 (CHEMBL5056844)	Binding affinity to human BRD3 domain 1 assessed as dissociation constant by isothermal titration calorimetry assay
50015522	2	ChEMBL_2171711 (CHEMBL5056845)	Binding affinity to human BRD2 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay
50015522	3	ChEMBL_2171712 (CHEMBL5056846)	Binding affinity to human BRD2 domain 1 assessed as dissociation constant by isothermal titration calorimetry assay
50015522	4	ChEMBL_2171716 (CHEMBL5056850)	Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50015522	5	ChEMBL_2171717 (CHEMBL5056851)	Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader
50015522	6	ChEMBL_2171718 (CHEMBL5056852)	Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader
50015522	7	ChEMBL_2171719 (CHEMBL5056853)	Binding affinity to human BRD3 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay
50015522	8	ChEMBL_2171720 (CHEMBL5056854)	Binding affinity to human BRD7 assessed as dissociation constant by isothermal titration calorimetry assay
50015522	9	ChEMBL_2171721 (CHEMBL5056855)	Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm
50015522	10	ChEMBL_2171722 (CHEMBL5056856)	Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm
50015523	1	ChEMBL_2171844 (CHEMBL5056978)	Binding affinity to MD2 (unknown origin) assessed as dissociation constant by spectrofluorimetric analysis
50015526	1	ChEMBL_2171852 (CHEMBL5056986)	Agonist activity at PR in human T47D cells using p-nitrophenyl phosphate as substrate assessed as induction of alkaline phosphatase activity incubated for 72 hrs followed by substrate addition measured after 24 hrs by alkaline phosphatase assay
50015529	1	ChEMBL_2171980 (CHEMBL5057114)	Inhibition of full length recombinant C-terminal FLAG/His-tagged human HDAC1 expressed in baculovirus infected Sf21 insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay
50015529	2	ChEMBL_2171981 (CHEMBL5057115)	Inhibition of full length recombinant C-terminal GST-fusion-tagged human HDAC2 expressed in insect cells using RHK-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay
50015529	3	ChEMBL_2171982 (CHEMBL5057116)	Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate measured after 60 mins by fluorescence plate reader assay
50015529	4	ChEMBL_2171983 (CHEMBL5057117)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHK-K(Ac)-AMC as substrate measured after 90 mins by fluorescence plate reader assay
50015529	5	ChEMBL_2171988 (CHEMBL5057122)	Inhibition of VEGFR2 (unknown origin)
50015534	1	ChEMBL_2172000 (CHEMBL5057134)	Inhibition of H-PGDS (unknown origin) using fluorescent probe by competition binding assay
50015537	1	ChEMBL_2172009 (CHEMBL5057143)	Agonist activity at TRPA1 expressed in CHO cells assessed as activation of channel current in presence of 330 - 380 nm UV irradiation by whole-cell patch clamp electrophysiology
50015538	1	ChEMBL_2172123 (CHEMBL5057257)	Inhibition of FGFR1 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50015538	2	ChEMBL_2172124 (CHEMBL5057258)	Inhibition of FGFR2 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50015538	3	ChEMBL_2172125 (CHEMBL5057259)	Inhibition of FGFR3 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50015538	4	ChEMBL_2172126 (CHEMBL5057260)	Inhibition of recombinant His-tagged human FGFR4 expressed in baculovirus expression system using Tyr04 peptide as substrate preincubated in assay buffer for 15 mins followed by ATP addition measured after 90 mins by FRET based Z'-LYTE assay
50015538	5	ChEMBL_2172127 (CHEMBL5057261)	Inhibition of JAK3 (unknown origin) incubated for 1 hr in presence of ATP and substrate by FRET based Z'-LYTE assay
50015539	1	ChEMBL_2172132 (CHEMBL5057266)	Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells incubated for 90 mins by competition binding assay
50015539	2	ChEMBL_2172134 (CHEMBL5057268)	Binding affinity to CM-5 sensor chip immobilized beta-amyloid monomer (1 to 42) (unknown origin) assessed as dissociation constant by SPR analysis
50015539	3	ChEMBL_2172135 (CHEMBL5057269)	Antagonist activity at histamine H3 receptor (unknown origin)
50015539	4	ChEMBL_2172136 (CHEMBL5057270)	Antagonist activity at human histamine H3 receptor
50015540	1	ChEMBL_2172302 (CHEMBL5057436)	Inhibition of human CYP3A4 preincubated for 10 mins followed by substrate and NADP addition measured after 30 mins by fluorescence assay
50015541	1	ChEMBL_2172376 (CHEMBL5057510)	Inhibition of VEGFR2 phosphorylation in VEGF-induced HUVEC cells pretreated measured after overnight incubation by immunoblotting analysis
50015543	1	ChEMBL_2172394 (CHEMBL5057528)	Inhibition of CSF1R (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50015543	2	ChEMBL_2172402 (CHEMBL5057536)	Binding affinity to CSF-1R in C57BL/6 mouse BMDM cells assessed as dissociation constant by SPR assay
50015545	1	ChEMBL_2172507 (CHEMBL5057641)	Agonist activity at C5aR1 in mouse RAW264.7 cells assessed as induction of ERK1/2 phosphorylation at Thr202/Tyr204 residues incubated for 10 mins by AlphaLISA assay
50015545	2	ChEMBL_2172509 (CHEMBL5057643)	Agonist activity at human C3aR expressed in CHO cells assessed as induction of ERK1/2 phosphorylation at Thr202/Tyr204 residues incubated for 10 mins by AlphaLISA assay
50015545	3	ChEMBL_2172510 (CHEMBL5057644)	Agonist activity at human C5aR1 expressed in CHO cells assessed as induction of ERK1/2 phosphorylation at Thr202/Tyr204 residues incubated for 10 mins by AlphaLISA assay
50015545	4	ChEMBL_2172515 (CHEMBL5057649)	Agonist activity at C5aR1 in human MDM cells assessed as induction of intracellular calcium mobilization pretreated with antagonist PMX53 for 30 mins followed by compound treatment for 10 mins by Fluo-4 dye based assay
50015546	1	ChEMBL_2172534 (CHEMBL5057668)	Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to biotinylated-KRAS G12V mutant (unknown origin) measured after 60 mins by HTRF competition binding assay
50015547	1	ChEMBL_2172590 (CHEMBL5057724)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by ELISA
50015547	2	ChEMBL_2172604 (CHEMBL5057738)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by ELISA
50015547	3	ChEMBL_2172605 (CHEMBL5057739)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by ELISA
50015548	1	ChEMBL_2172606 (CHEMBL5057740)	Activation of PAR-1 in human platelet-rich plasma assessed as induction of platelet aggregation by turbidimetric method
50015553	1	ChEMBL_2172610 (CHEMBL5057744)	Inhibition of human FAAH using N-(6-methoxypyridin-3-yl)octanamide as a substrate assessed as reduction in 6-methoxypyridin-3-amine formation by fluorescence microplate reader assay
50015553	2	ChEMBL_2172611 (CHEMBL5057745)	Inhibition of human sEH using cyano(6-methoxynaphthalen-2-yl)methyl((3-phenyloxiran-2-yl)methyl)carbonate as a substrate assessed as reduction in 6-methoxynaphthaldehyde formation by fluorescence microplate reader assay
50015555	1	ChEMBL_2172717 (CHEMBL5057851)	Inhibition of human (alpha4)3(beta2)2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response in presence of 100 uM acetylcholine by two-electrode voltage-clamp method
50015555	2	ChEMBL_2172719 (CHEMBL5057853)	Inhibition of human (alpha4)2(beta2)3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response in presence of 3 uM acetylcholine by two-electrode voltage-clamp method
50015555	3	ChEMBL_2172721 (CHEMBL5057855)	Inhibition of rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-elicited current response measured at holding potential of -60 mV by two-electrode voltage-clamp method
50015555	4	ChEMBL_2172722 (CHEMBL5057856)	Inhibition of rat alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-elicited current response measured at holding potential of -60 mV by two-electrode voltage-clamp method
50015557	1	ChEMBL_2172723 (CHEMBL5057857)	Inhibition of PARP15 (482 to 678 residues) (unknown origin) expressed in Escherichia coli using NAD+ as substrate incubated for 3 hrs by fluorescence based assay
50015557	2	ChEMBL_2172724 (CHEMBL5057858)	Inhibition of PARP14 (unknown origin) using NAD+ as substrate incubated for 18 hrs by fluorescence based assay
50015557	3	ChEMBL_2172725 (CHEMBL5057859)	Inhibition of PARP10 (809 to 1017 residues) (unknown origin) expressed in Escherichia coli using NAD+ as substrate incubated for 13 hrs by fluorescence based assay
50015557	4	ChEMBL_2172726 (CHEMBL5057860)	Inhibition of TNKS2 (873 to 1161 residues) (unknown origin) expressed in Escherichia coli by fluorescence based assay
50015557	5	ChEMBL_2172727 (CHEMBL5057861)	Inhibition of PARP2 (1 to 583 residues) (unknown origin) expressed in Escherichia coli using NAD+ as substrate by fluorescence based assay
50015557	6	ChEMBL_2172728 (CHEMBL5057862)	Inhibition of TNKS2 (unknown origin)
50015557	7	ChEMBL_2172729 (CHEMBL5057863)	Inhibition of C-terminal His6-tagged/N-terminal PARP10 (809 to 1017 residues) (unknown origin) expressed in Escherichia coli Rosetta2 (DE3)
50015557	8	ChEMBL_2172730 (CHEMBL5057864)	Inhibition of TEV cleavage site fused N-terminal 6His-tagged PARP15 (482 to 678 residues) (unknown origin) expressed in Escherichia coli Rosetta2 (DE3)
50015558	1	ChEMBL_2172731 (CHEMBL5057865)	Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme complex for 45 mins followed by substrates addition and further incubated for 90 mins in presence of ATP at Km concentration by spectrophotometric assay
50015558	2	ChEMBL_2172732 (CHEMBL5057866)	Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme complex for 45 mins followed by substrates addition and further incubated for 90 mins in presence of ATP at Km concentration by spectrophotometric assay
50015558	3	ChEMBL_2172733 (CHEMBL5057867)	Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme complex for 45 mins followed by substrates addition and further incubated for 90 mins by spectrophotometric assay
50015558	4	ChEMBL_2172735 (CHEMBL5057869)	Inhibition of human recombinant BCKDK incubated for 60 mins in presence of ATP by ADP-Glo reagent based luminescent assay
50015560	1	ChEMBL_2172739 (CHEMBL5057873)	Binding affinity to GST-tagged AR ligand binding domain (unknown origin) measured after 4 hrs by fluorescence polarization assay
50015560	2	ChEMBL_2172740 (CHEMBL5057874)	Inhibition of AR transcriptional activity in human LNCaP cells harboring ARR2PB-eGFP incubated for 72 hrs by fluorescence assay
50015560	3	ChEMBL_2172741 (CHEMBL5057875)	Inhibition of AR transcriptional activity in human LNCaP cells harboring ARR2PB-eGFP assessed as decrease in PSA level
50015560	4	ChEMBL_2172765 (CHEMBL5057899)	Antagonist activity at glucocorticoid receptor in human HeLa cells assessed as reduction in dexamethasone-induced luciferase activity by dual-Glo luciferase assay
50015561	1	ChEMBL_2172829 (CHEMBL5057963)	Inhibition of human BCL6 (5 to 129 residues) expressed in Escherichia coli BL21-AI using BCOR-AF633 peptide as substrate measured after 2 hrs by TR-FRET assay
50015561	2	ChEMBL_2172833 (CHEMBL5057967)	Inhibition of human nanoLuc-tagged BCL6 expressed in HEK293T cells coexpressing HaloTag-SMRT using NanoBRET furimazine substrate incubated for 6 hrs by NanoBRET assay
50015561	3	ChEMBL_2172834 (CHEMBL5057968)	Binding affinity to human BCL6 BDB domain by SPR assay
50015561	4	ChEMBL_2172844 (CHEMBL5057978)	Inhibition of BCOR peptide binding to human BCL6 expressed in Escherichia coli measured after 270 mins by BCOR ULight TR-FRET assay
50015562	1	ChEMBL_2172849 (CHEMBL5057983)	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based assay
50015562	2	ChEMBL_2172850 (CHEMBL5057984)	Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based assay
50015562	3	ChEMBL_2172853 (CHEMBL5057987)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in kynurenine formation measured after 48 hrs by spectrophotometry
50015562	4	ChEMBL_2172900 (CHEMBL5058034)	Inhibition of human ERG
50015562	5	ChEMBL_2173298 (CHEMBL5058432)	Inhibition of human IDO1
50015567	1	ChEMBL_2173309 (CHEMBL5058443)	Inhibition of G9a (unknown origin) using biotinylated histone monomethyl-H3K9 peptide by TR-FRET assay
50015567	2	ChEMBL_2173324 (CHEMBL5058458)	Inhibition of DNMT1 (unknown origin) using biotinylated histone monomethyl-H3K9 peptide by TR-FRET assay
50015569	1	ChEMBL_2173325 (CHEMBL5058459)	Modulation of human 5HT2A expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq from Ggamma1 preincubated for 1 hr followed by addition of coelenterazine 400a substrate and measured after 15 mins by BRET assay
50015569	2	ChEMBL_2173326 (CHEMBL5058460)	Modulation of human 5HT2B expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq from Ggamma1 preincubated for 1 hr followed by addition of coelenterazine 400a substrate and measured after 15 mins by BRET assay
50015569	3	ChEMBL_2173327 (CHEMBL5058461)	Modulation of human 5HT2C expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq from Ggamma1 preincubated for 1 hr followed by addition of coelenterazine 400a substrate and measured after 15 mins by BRET assay
50015571	1	ChEMBL_2173331 (CHEMBL5058465)	Inhibition of ITK (unknown origin) using BTK peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 60 mins by flourescence based plate reader assay
50015571	2	ChEMBL_2173332 (CHEMBL5058466)	Inhibition of IL-2 in CD3/CD28 activated human CD4+ve Th cells preincubated for 15 mins followed by addition of immuno-cult and measured after 24 hrs by HTRF assay
50015572	1	ChEMBL_2173334 (CHEMBL5058468)	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method
50015572	2	ChEMBL_2173335 (CHEMBL5058469)	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ measured after 20 mins by HPLC method
50015573	1	ChEMBL_2184162 (CHEMBL5096244)	Inhibition of recombinant SARS-CoV-2 MPro
50015573	2	ChEMBL_2184163 (CHEMBL5096245)	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Mca-AVLQ SGFR-K(Dnp)K as substrate by EnVision multimode plate reader analysis
50015573	3	ChEMBL_2184165 (CHEMBL5096247)	Inhibition of SARS-CoV-2 MPro
50015573	4	ChEMBL_2184167 (CHEMBL5096249)	Inhibition of SARS-CoV-2 (BetaCoV/Wuhan/WIV04/2019) MPro expressed in Escherichia coli using FRET susbtrate measured after 1 hr
50015573	5	ChEMBL_2184170 (CHEMBL5096252)	Inhibition of recombinant SARS-CoV-2 MPro incubated for 10 mins in presence of fluorogenic substrate
50015573	6	ChEMBL_2184171 (CHEMBL5096253)	Inhibition of SARS-CoV-2 PLpro expressed in Escherichia coli
50015574	1	ChEMBL_2184175 (CHEMBL5096257)	Inhibition of recombinant N-terminal GST-tagged human FGFR1 (398 to 822 residues) expressed in baculovirus expression system using IGF-1Rtide peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hrs in the presence of ATP by ADP-Glo reagent based luminescence assay
50015574	2	ChEMBL_2184176 (CHEMBL5096258)	Inhibition of recombinant N-terminal GST-tagged human FGFR2 (399 to 821 residues) expressed in baculovirus expression system using IGF-1Rtide peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hrs in the presence of ATP by ADP-Glo reagent based luminescence assay
50015574	3	ChEMBL_2184177 (CHEMBL5096259)	Inhibition of recombinant human N-terminal GST-tagged FGFR3 (436 to 806 residues) expressed in baculovirus expression system using IGF-1Rtide peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hrs in the presence of ATP by ADP-Glo reagent based luminescence assay
50015574	4	ChEMBL_2184178 (CHEMBL5096260)	Inhibition of recombinant N-terminal GST-tagged human KDR (790 to 1356 residues) expressed in baculovirus expression system using IGF-1Rtide peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hrs in the presence of ATP by ADP-Glo reagent based luminescence assay
50015574	5	ChEMBL_2184191 (CHEMBL5096273)	Inhibition of FGFR4 (unknown origin)
50015574	6	ChEMBL_2184192 (CHEMBL5096274)	Inhibition of FLT3 (unknown origin)
50015574	7	ChEMBL_2184193 (CHEMBL5096275)	Inhibition of Aurora A (unknown origin)
50015574	8	ChEMBL_2184194 (CHEMBL5096276)	Inhibition of PDGFRb (unknown origin)
50015574	9	ChEMBL_2184195 (CHEMBL5096277)	Inhibition of JAK2 (unknown origin)
50015574	10	ChEMBL_2184222 (CHEMBL5096304)	Inhibition of FGFR1 (unknown origin)
50015574	11	ChEMBL_2184223 (CHEMBL5096305)	Inhibition of FGFR3 (unknown origin)
50015574	12	ChEMBL_2184224 (CHEMBL5096306)	Inhibition of FGFR2 (unknown origin)
50015574	13	ChEMBL_2184225 (CHEMBL5096307)	Inhibition of GST-tagged FGFR1 (unknown origin)
50015574	14	ChEMBL_2184226 (CHEMBL5096308)	Inhibition of GST-tagged FGFR2 (unknown origin)
50015574	15	ChEMBL_2184227 (CHEMBL5096309)	Inhibition of GST-tagged FGFR3 (unknown origin)
50015574	16	ChEMBL_2184228 (CHEMBL5096310)	Inhibition of GST-tagged FGFR4 (unknown origin)
50015574	17	ChEMBL_2184229 (CHEMBL5096311)	Inhibition of FGFR1 (unknown origin) in the presence of ATP at Km concentration by ELISA analysis
50015574	18	ChEMBL_2184230 (CHEMBL5096312)	Inhibition of recombinant human FGFR1 in the presence of ATP at Km concentration
50015574	19	ChEMBL_2184231 (CHEMBL5096313)	Inhibition of recombinant human FGFR2 in the presence of ATP at Km concentration
50015574	20	ChEMBL_2184232 (CHEMBL5096314)	Inhibition of recombinant human FGFR3 in the presence of ATP at Km concentration
50015574	21	ChEMBL_2184233 (CHEMBL5096315)	Inhibition of recombinant human FGFR4 in the presence of ATP at Km concentration
50015574	22	ChEMBL_2184234 (CHEMBL5096316)	Inhibition of recombinant human KDR in the presence of ATP at Km concentration
50015575	1	ChEMBL_2184235 (CHEMBL5096317)	Inhibition of de-His-tagged BRD4-BD1 (44 to 168 residues)(unknown origin) expressed in Escherichia coli by HTRF assay
50015575	2	ChEMBL_2184236 (CHEMBL5096318)	Inhibition of HDAC1 (unknown origin)
50015575	3	ChEMBL_2184237 (CHEMBL5096319)	Inhibition of BRD4-BD1 (unknown origin)
50015575	4	ChEMBL_2184238 (CHEMBL5096320)	Inhibition of recombinant BRD4-BD1 (unknown origin) by TR-FRET assay
50015575	5	ChEMBL_2184239 (CHEMBL5096321)	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50015575	6	ChEMBL_2184241 (CHEMBL5096323)	Inhibition of recombinant BRD2-BD1 (unknown origin) by TR-FRET assay
50015575	7	ChEMBL_2184242 (CHEMBL5096324)	Inhibition of recombinant BRD2-BD2 (unknown origin) by TR-FRET assay
50015575	8	ChEMBL_2184243 (CHEMBL5096325)	Inhibition of recombinant BRD3-BD1 (unknown origin) by TR-FRET assay
50015575	9	ChEMBL_2184244 (CHEMBL5096326)	Inhibition of recombinant BRD3-BD2 (unknown origin) by TR-FRET assay
50015575	10	ChEMBL_2184245 (CHEMBL5096327)	Inhibition of recombinant BRD4-BD2 (unknown origin) by TR-FRET assay
50015575	11	ChEMBL_2184246 (CHEMBL5096328)	Inhibition of recombinant BRDT-BD1 (unknown origin) by TR-FRET assay
50015575	12	ChEMBL_2184247 (CHEMBL5096329)	Inhibition of recombinant BRDT-BD2 (unknown origin) by TR-FRET assay
50015575	13	ChEMBL_2184248 (CHEMBL5096330)	Inhibition of BRD4-BD2 (unknown origin)
50015575	14	ChEMBL_2184249 (CHEMBL5096331)	Inhibition of BRD4 (unknown origin) by ELISA
50015575	15	ChEMBL_2184250 (CHEMBL5096332)	Inhibition of HDAC (unknown origin) by ELISA
50015575	16	ChEMBL_2184252 (CHEMBL5096334)	Inhibition of GST-tagged BRD4 (unknown origin) by HTRF assay
50015575	17	ChEMBL_2184253 (CHEMBL5096335)	Inhibition of human HDAC3 using Boc-Lys(Ac)-AMC as substrate by fluorescence based assay
50015578	1	ChEMBL_2184258 (CHEMBL5096340)	Inhibition of recombinant His6-tagged human MCL1 (171 to 327 residues) expressed in Escherichia coli and TAMRA labeled Bim BH3 peptide interaction using TAMRA-GWIAQELRRIGDEF as substrate and measured after 120 mins by FP assay
50015578	2	ChEMBL_2184259 (CHEMBL5096341)	Inhibition of recombinant His6-tagged human MCL1 (171 to 327 residues) expressed in Escherichia coli and biotinylated Bim BH3 peptide interaction using Biotin-DMRPEIWIAQELRRIGDEFNAYYARR as substrate incubated for 60 mins by TR-FRET analysis
50015578	3	ChEMBL_2184268 (CHEMBL5096350)	Binding affinity to GST-tagged MCL-1 (unknown origin) incubated for 60 mins by TR-FRET assay
50015578	4	ChEMBL_2184269 (CHEMBL5096351)	Binding affinity to BCL-2 (unknown origin) by TR-FRET assay
50015578	5	ChEMBL_2184270 (CHEMBL5096352)	Binding affinity to BCL-XL (unknown origin) by TR-FRET assay
50015578	6	ChEMBL_2184272 (CHEMBL5096354)	Competitive binding affinity to BCL-2 (unknown origin) using FITC-Bak-GQVGRQLAIIGDDINR-NH2 peptide as substrate incubated for 1.5 hrs by fluorescence polarization assay
50015578	7	ChEMBL_2184273 (CHEMBL5096355)	Competitive binding affinity to BCL-XL (unknown origin) using FITC-Bak-GQVGRQLAIIGDDINR-NH2 peptide as substrate incubated for 1.5 hrs by fluorescence polarization assay
50015578	8	ChEMBL_2184275 (CHEMBL5096357)	Inhibition of N-terminal GST-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli using fluor 647-labeled Bim peptide WIAQELRRIGDEFN as substrate incubated for 120 to 180 mins by TR-FRET assay
50015578	9	ChEMBL_2184276 (CHEMBL5096358)	Inhibition of C-terminal His6-tagged Bcl-2 (1 to 212 residues) (unknown origin) expressed in Escherichia coli using biotin-labeled Bim peptide GGMRPEIWIANELRRIGDEFNA as substrate incubated for 120 to 180 mins by TR-FRET assay
50015578	10	ChEMBL_2184277 (CHEMBL5096359)	Inhibition of N-terminal GST-tagged Bcl-xL (1 to 209 residues) (unknown origin) expressed in Escherichia coli using fFluor 647-labeled BAK peptide GGGQVGRQLAIIGDDINR as substrate incubated for 120 to 180 mins by TR-FRET assay
50015578	11	ChEMBL_2184278 (CHEMBL5096360)	Inhibition of N-terminal His6-tagged Bfl-1 (1 to 151 residues) (unknown origin) expressed in Escherichia coli using Fluor 647-labeled BAK peptide WIAQELRRIGDEFN as substrate incubated for 120 to 180 mins by TR-FRET assay
50015578	12	ChEMBL_2184279 (CHEMBL5096361)	Inhibition of N-terminal His6-tagged Bcl-w (1 to 171 residues) (unknown origin) expressed in Escherichia coli using biotin-labeled Bim peptide GGMRPEIWIANELRRIGDEFNA as substrate incubated for 120 to 180 mins by TR-FRET assay
50015578	13	ChEMBL_2184281 (CHEMBL5096363)	Binding affinity to C-terminal human Mcl-1-MBP fusion protein expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by surface plasmon resonance analysis
50015578	14	ChEMBL_2184282 (CHEMBL5096364)	Binding affinity to human Bcl-2 assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarization assay
50015578	15	ChEMBL_2184283 (CHEMBL5096365)	Binding affinity to human Bcl-xL assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarization assay
50015578	16	ChEMBL_2184289 (CHEMBL5096371)	Inhibition of recombinant His10-tagged human Bcl-2 (2 to 211 residues) using biotinylated Bim BH3 peptide as substrate incubated for 60 mins by TR-FRET analysis
50015578	17	ChEMBL_2184290 (CHEMBL5096372)	Inhibition of recombinant His6-tagged human Bcl-xL (1 to 196 residues) expressed in Escherichia coli using biotinylated Bim BH3 peptide as substrate incubated for 60 mins by TR-FRET analysis
50015579	1	ChEMBL_2184292 (CHEMBL5096374)	Inhibition of BRAF V600E mutant (unknown origin) incubated for 40 mins by scintillation counting analysis
50015579	2	ChEMBL_2184293 (CHEMBL5096375)	Inhibition of RAF1 (unknown origin) incubated for 40 mins by scintillation counting analysis
50015579	3	ChEMBL_2184303 (CHEMBL5096385)	Inhibition of human BRAF V600E mutant using MEK1 as substrate in presence of ATP
50015579	4	ChEMBL_2184321 (CHEMBL5096403)	Inhibition of EGFR (unknown origin) incubated for 40 mins by intrinsic ATPase activity luminescence assay
50015580	1	ChEMBL_2184378 (CHEMBL5096460)	Inhibition of BACE-1 (unknown origin) using M-240 (methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl) peptide as substrate preincubated for 60 mins followed by substrate addition and measured after 15 mins by fluorescence based analysis
50015580	2	ChEMBL_2184379 (CHEMBL5096461)	Inhibition of recombinant human GSK-3beta incubated for 30 mins using prephosphorylated polypeptide as substrate in presence of ATP by Kinase-Glo reagent based luminescent assay
50015580	3	ChEMBL_2184381 (CHEMBL5096463)	Inhibition of BACE-1 (unknown origin)
50015580	4	ChEMBL_2184384 (CHEMBL5096466)	Inhibition of recombinant human His6-taged GSK-3beta assessed as substrate phosphorylation incubated for 30 mins using RRRPASVPPSPSLSRHSSHQRR peptide as substrate in presence of [gamma-32P]ATP by scintillation counter method
50015580	5	ChEMBL_2184385 (CHEMBL5096467)	Inhibition of GSK-3beta (unknown origin)
50015580	6	ChEMBL_2184386 (CHEMBL5096468)	Inhibition of AchE (unknown origin)
50015580	7	ChEMBL_2184387 (CHEMBL5096469)	Inhibition of human wild type AK expressed in Escherichia coli using [2,8- 3H]-Ado and ATP as substrate by radiometric analysis
50015580	8	ChEMBL_2184388 (CHEMBL5096470)	Inhibition of HDAC1 (unknown origin)
50015580	9	ChEMBL_2184389 (CHEMBL5096471)	Inhibition of HDAC6 (unknown origin)
50015581	1	ChEMBL_2184390 (CHEMBL5096472)	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using DABCYLKTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed by substrate addition and measured after 16 hrs by FRET assay
50015581	2	ChEMBL_2184392 (CHEMBL5096474)	Inhibition of SARS-CoV-2 3CL protease
50015581	3	ChEMBL_2184393 (CHEMBL5096475)	Inhibition of C-terminal his6-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KNSTLQSGLRKE-Edans as substrate incubated for 60 mins by fluorescence plate reader
50015581	4	ChEMBL_2184394 (CHEMBL5096476)	Inhibition of SARS-CoV 2 spike glycoprotein
50015582	1	ChEMBL_2184481 (CHEMBL5096563)	Inhibition of human NUAK1
50015582	2	ChEMBL_2184482 (CHEMBL5096564)	Inhibition of N-terminal GST-tagged wild type human NUAK1 expressed in Escherichia coli DH5alpha incubated for 30 mins in presence of gamma-[32P]ATP by cerenkov counting analysis
50015582	3	ChEMBL_2184484 (CHEMBL5096566)	Inhibition of recombinant full length human His-tagged NUAK1 expressed in Baculovirus expression system
50015582	4	ChEMBL_2184485 (CHEMBL5096567)	Inhibition of NUAK1 (unknown origin)
50015582	5	ChEMBL_2184486 (CHEMBL5096568)	Inhibition of GST fused recombinant SIK1 in HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50015582	6	ChEMBL_2184487 (CHEMBL5096569)	Inhibition of GST fused recombinant SIK2 in HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser329 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50015582	7	ChEMBL_2184488 (CHEMBL5096570)	Inhibition of GST fused recombinant SIK3 in HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser370 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50015582	8	ChEMBL_2184489 (CHEMBL5096571)	Inhibition of NUAK1 in HEK293 cells assessed as effect on MYPT1 phosphorylation at Ser445 incubated for 3 mins by immunoblotting analysis
50015582	9	ChEMBL_2184490 (CHEMBL5096572)	Inhibition of Aurora C (unknown origin)
50015582	10	ChEMBL_2184491 (CHEMBL5096573)	Inhibition of Aurora B (unknown origin)
50015582	11	ChEMBL_2184493 (CHEMBL5096575)	Inhibition of NUAK2 (unknown origin)
50015582	12	ChEMBL_2184494 (CHEMBL5096576)	Inhibition of ALK L1196M mutant (unknown origin)
50015582	13	ChEMBL_2184495 (CHEMBL5096577)	Inhibition of ALK G1202R mutant (unknown origin)
50015582	14	ChEMBL_2184496 (CHEMBL5096578)	Inhibition of wild type ALK (unknown origin)
50015582	15	ChEMBL_2184499 (CHEMBL5096581)	Inhibition of FYN (unknown origin)
50015582	16	ChEMBL_2184500 (CHEMBL5096582)	Inhibition of RET (unknown origin)
50015582	17	ChEMBL_2184501 (CHEMBL5096583)	Inhibition of FGFR1 (unknown origin)
50015582	18	ChEMBL_2184502 (CHEMBL5096584)	Inhibition of PDGFRb (unknown origin)
50015582	19	ChEMBL_2184503 (CHEMBL5096585)	Inhibition of human IGF1R expressed in mouse IGF1R knockout MEF cells
50015582	20	ChEMBL_2184504 (CHEMBL5096586)	Inhibition of human InsR expressed in mouse IGF1R knockout MEF cells
50015582	21	ChEMBL_2184505 (CHEMBL5096587)	Binding affinity to human IGF1R expressed in mouse IGF1R knockout MEF cells assessed as dissociation constant
50015582	22	ChEMBL_2184506 (CHEMBL5096588)	Binding affinity to human InsR expressed in mouse IGF1R knockout MEF cells assessed as dissociation constant
50015582	23	ChEMBL_2184507 (CHEMBL5096589)	Inhibition of N-terminal GST-tagged human NUAK2 expressed in Escherichia coli DH5alpha incubated for 30 mins in presence of gamma-[32P]ATP by cerenkov counting analysis
50015582	24	ChEMBL_2184508 (CHEMBL5096590)	Inhibition of CDK9 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	25	ChEMBL_2184509 (CHEMBL5096591)	Inhibition of CDK7 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	26	ChEMBL_2184510 (CHEMBL5096592)	Inhibition of CDK4 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	27	ChEMBL_2184511 (CHEMBL5096593)	Inhibition of CDK3 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	28	ChEMBL_2184512 (CHEMBL5096594)	Inhibition of CDK2 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	29	ChEMBL_2184513 (CHEMBL5096595)	Inhibition of CDK1 (unknown origin) expressed in baculovirus-infected Sf9 insect cells
50015582	30	ChEMBL_2184514 (CHEMBL5096596)	Inhibition of JAK2 (unknown origin)
50015582	31	ChEMBL_2184519 (CHEMBL5096601)	Binding affinity to NUAK1 (unknown origin) assessed as dissociation constant
50015582	32	ChEMBL_2184520 (CHEMBL5096602)	Binding affinity to NUAK2 (unknown origin) assessed as dissociation constant
50015582	33	ChEMBL_2184524 (CHEMBL5096606)	Binding affinity to PLK1 (unknown origin) assessed as inhibition constant
50015583	1	ChEMBL_2184525 (CHEMBL5096607)	Agonist activity at CB1 receptor in albino MF1 mouse vas deferens assessed as inhibition of electrically evoked vas deferens contraction by incubated for 13 mins followed by electrical stimulation for 2 mins
50015583	2	ChEMBL_2184526 (CHEMBL5096608)	Inhibition of TRPV5 channel (unknown origin) by Patch-clamp assay
50015583	3	ChEMBL_2184527 (CHEMBL5096609)	Agonist activity at CB2 receptor (unknown origin) expressed in CHO cell membranes assessed as increase in [35S]GTPgammaS binding incubated for 60 mins by liquid scintillation spectrometry analysis
50015583	4	ChEMBL_2184528 (CHEMBL5096610)	Antagonist activity at GPR55 (unknown origin) expressed in HEK293 cells assessed as LPI-stimulated ERK1/2 phosphorylation
50015583	5	ChEMBL_2184529 (CHEMBL5096611)	Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of cyclic AMP production
50015583	6	ChEMBL_2184530 (CHEMBL5096612)	Displacement of [35S]GTPgammaS from 5HT1A in Sprague-Dawley rat brainstem incubated for 60 mins by radioligand binding assay
50015583	7	ChEMBL_2184531 (CHEMBL5096613)	Displacement of [35S]GTPgammaS from 5HT1A in human CHO cells incubated for 60 mins by radioligand binding assay
50015583	8	ChEMBL_2184537 (CHEMBL5096619)	Displacement of [3H]CP55940 from mouse brain membrane CB1 receptor assessed as inhibition constant
50015583	9	ChEMBL_2184538 (CHEMBL5096620)	Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells assessed as inhibition constant
50015583	10	ChEMBL_2184541 (CHEMBL5096623)	Agonist activity at ionomycin-stimulated TRPV1 (unknown origin) activation
50015583	11	ChEMBL_2184543 (CHEMBL5096625)	Agonist activity at ionomycin-stimulated TRPV1 (unknown origin) channel desensitization in presence of capsaicin
50015583	12	ChEMBL_2184544 (CHEMBL5096626)	Agonist activity at ionomycin-stimulated TRPV2 (unknown origin) activation
50015583	13	ChEMBL_2184546 (CHEMBL5096628)	Agonist activity at ionomycin-stimulated TRPV2 (unknown origin) channel desensitization in presence of lysophosphatidylcholine
50015583	14	ChEMBL_2184547 (CHEMBL5096629)	Agonist activity at ionomycin-stimulated TRPV3 (unknown origin) activation
50015583	15	ChEMBL_2184549 (CHEMBL5096631)	Agonist activity at ionomycin-stimulated TRPV3 (unknown origin) channel desensitization in presence of carvacrol
50015583	16	ChEMBL_2184550 (CHEMBL5096632)	Agonist activity at ionomycin-stimulated TRPV4 (unknown origin) activation
50015583	17	ChEMBL_2184552 (CHEMBL5096634)	Agonist activity at ionomycin-stimulated TRPV4 (unknown origin) channel desensitization in presence of 4alphaPDD
50015583	18	ChEMBL_2184553 (CHEMBL5096635)	Inhibition of TRPV6 channel (unknown origin) by Patch-clamp assay
50015583	19	ChEMBL_2184554 (CHEMBL5096636)	Agonist activity at TRPA1 (unknown origin) activation
50015583	20	ChEMBL_2184556 (CHEMBL5096638)	Agonist activity at TRPA1 (unknown origin) channel desensitization in presence of isothiocyanate
50015583	21	ChEMBL_2184557 (CHEMBL5096639)	Agonist activity at TRPA1 (unknown origin) channel desensitization in presence of icilin
50015583	22	ChEMBL_2184558 (CHEMBL5096640)	Agonist activity at TRPV1 (unknown origin) ion channel
50015583	23	ChEMBL_2184559 (CHEMBL5096641)	Agonist activity at TRPA1 (unknown origin) ion channel
50015583	24	ChEMBL_2184560 (CHEMBL5096642)	Antagonist activity at TRPM8 (unknown origin) ion channel
50015583	25	ChEMBL_2184561 (CHEMBL5096643)	Binding affinity to human GPR6 expressed in HEK293 cells assessed as reduction in cAMP level incubated for 1 hr by HTRF assay
50015583	26	ChEMBL_2184562 (CHEMBL5096644)	Binding affinity to human GPR55 expressed in HEK293 cells assessed as LPI-stimulated ERK1/2 phosphorylation
50015583	27	ChEMBL_2184565 (CHEMBL5096647)	Binding affinity to CB1 (unknown origin) receptor assessed as inhibition constant
50015583	28	ChEMBL_2184566 (CHEMBL5096648)	Inhibition of human recombinant DAGLalpha expressed in African green monkey COS7 cells by beta counter analysis
50015583	29	ChEMBL_2184568 (CHEMBL5096650)	Antagonist activity at TRPM8 (unknown origin) desensitization in presence of icilin
50015583	30	ChEMBL_2184569 (CHEMBL5096651)	Inhibition of recombinant CYP1A1 (unknown origin) preincubated with NADPH for 20 mins and measured after 30 min
50015583	31	ChEMBL_2184570 (CHEMBL5096652)	Inhibition of human recombinant CYP1A1 preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk plots analysis
50015583	32	ChEMBL_2184571 (CHEMBL5096653)	Mixed inhibition of recombinant CYP2B6 (unknown origin) using coumarin as substrate in presence of NADPH-generating system
50015583	33	ChEMBL_2184572 (CHEMBL5096654)	Mixed inhibition of recombinant CYP2B6 (unknown origin) using coumarin as substrate in presence of NADPH-generating system by Lineweaver-burk plots analysis
50015583	34	ChEMBL_2184573 (CHEMBL5096655)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH-generating system incubated for 20 mins
50015583	35	ChEMBL_2184574 (CHEMBL5096656)	Inhibition of CYP2D6 in human liver microsomes by measuring inhibition constant in presence of NADPH-generating system incubated for 20 mins
50015583	36	ChEMBL_2184575 (CHEMBL5096657)	Mixed inhibition of CYP2C19 (unknown origin)
50015583	37	ChEMBL_2184576 (CHEMBL5096658)	Mixed inhibition of CYP2C19 (unknown origin) by measuring inhibition constant
50015583	38	ChEMBL_2184577 (CHEMBL5096659)	Displacement of 35S]GTPgammaS from human CB2 receptor transfected in CHO cells assessed as inhibition forskolin-stimulated cyclic AMP production
50015583	39	ChEMBL_2184578 (CHEMBL5096660)	Binding affinity to CB1 (unknown origin) assessed as inhibition constant
50015583	40	ChEMBL_2184579 (CHEMBL5096661)	Binding affinity to to CB1 (unknown origin) expressed in CHO -k1 cells assessed as inhibition constant
50015583	41	ChEMBL_2184580 (CHEMBL5096662)	Binding affinity to to CB2 receptor (unknown origin) expressed in CHO -k1 cells assessed as inhibition constant
50015583	42	ChEMBL_2184581 (CHEMBL5096663)	Binding affinity to to CB2 receptor (unknown origin) expressed in AtT20 cells assessed as inhibition constant
50015583	43	ChEMBL_2184584 (CHEMBL5096666)	Non competitive inhibition of CYP2J2 (unknown origin) in presence of NADPH by LC-MS/MS analysis
50015583	44	ChEMBL_2184585 (CHEMBL5096667)	Non competitive inhibition of recombinant human CYP2A6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min
50015583	45	ChEMBL_2184586 (CHEMBL5096668)	Non competitive inhibition of recombinant human CYP2A6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk plots analysis
50015583	46	ChEMBL_2184587 (CHEMBL5096669)	Mixed inhibition of recombinant human CYP2B6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk plots analysis
50015583	47	ChEMBL_2184588 (CHEMBL5096670)	Inhibition of recombinant human CYP2B6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk plots analysis
50015583	48	ChEMBL_2184590 (CHEMBL5096672)	Displacement of [3H]-WIN55212-2 from human CB2 receptor transfected in CHO cell membrane incubated for 90 mins by Liquid scintillation counter analysis
50015583	49	ChEMBL_2184591 (CHEMBL5096673)	Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cells
50015583	50	ChEMBL_2184592 (CHEMBL5096674)	Displacement of [35S]GTPgammaS from CB1 receptor in rat brain
50015583	51	ChEMBL_2184593 (CHEMBL5096675)	Displacement of [35S]GTPgammaS from human CB1 receptor expressed in CHO cells
50015583	52	ChEMBL_2184596 (CHEMBL5096678)	Inhibition of Inh (unknown origin)
50015583	53	ChEMBL_2184601 (CHEMBL5096683)	Binding affinity to human CB1 assessed as inhibition constant
50015583	54	ChEMBL_2184602 (CHEMBL5096684)	Binding affinity to human CB2 receptor assessed as inhibition constant
50015584	1	ChEMBL_2184603 (CHEMBL5096685)	Binding affinity to human C-terminal domain STING (139 to 379 residues) assessed as dissociation constant by scanning fluorimetry assay
50015584	2	ChEMBL_2184604 (CHEMBL5096686)	Binding affinity to C-terminal domain human STING (139 to 379 residues) expressed in E. coli assessed as dissociation constant by isothermal titration calorimetry assay
50015584	3	ChEMBL_2184605 (CHEMBL5096687)	Binding affinity to STING (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50015584	4	ChEMBL_2184606 (CHEMBL5096688)	Agonist activity at STING in human L929 cells assessed as IFN-beta RNA level measured after 4 hrs by qRT-PCR analysis
50015584	5	ChEMBL_2184607 (CHEMBL5096689)	Agonist activity at STING (unknown origin) in THP1-Blue ISG cells assessed as type I interferon production level
50015584	6	ChEMBL_2184609 (CHEMBL5096691)	Binding affinity to mouse STING (154 to 340 residues) assessed as dissociation constant by isothermal titration calorimetry assay
50015584	7	ChEMBL_2184610 (CHEMBL5096692)	Binding affinity to rat STING assessed as dissociation constant by isothermal titration calorimetry assay
50015584	8	ChEMBL_2184612 (CHEMBL5096694)	Binding affinity to mouse STING assessed as dissociation constant by canning fluorimetry based thermal shift assay
50015584	9	ChEMBL_2184613 (CHEMBL5096695)	Agonist activity at STING (unknown origin) in murine cells
50015584	10	ChEMBL_2184615 (CHEMBL5096697)	Agonist activity at human STING incubated for 3 hrs by fluorescence based analysis
50015584	11	ChEMBL_2184616 (CHEMBL5096698)	Binding affinity to human STING (137 to 379 residues) assessed as dissociation constant by isothermal titration calorimetry assay
50015584	12	ChEMBL_2184617 (CHEMBL5096699)	Agonist activity at STING in human 293T hSTING-R232 Cells incubated for 48 hrs by QUANTI-blue assay
50015584	13	ChEMBL_2184618 (CHEMBL5096700)	Agonist activity at STING in mouse 293T Cells incubated for 48 hrs by QUANTI-blue assay
50015584	14	ChEMBL_2184620 (CHEMBL5096702)	Agonist activity to C-terminal domain human STING (139 to 379 residues)
50015584	15	ChEMBL_2184621 (CHEMBL5096703)	Agonist activity to C-terminal domain STING (139 to 379 residues) in human PBMC assessed as IFN-beta secretion
50015584	16	ChEMBL_2184622 (CHEMBL5096704)	Agonist activity to C-terminal domain STING HAQ mutant (139 to 379 residues) in human PBMC assessed as IFN-beta secretion
50015584	17	ChEMBL_2184624 (CHEMBL5096706)	Agonist activity at mouse STING assessed as IFN-beta secretion
50015584	18	ChEMBL_2184642 (CHEMBL5096724)	Binding affinity to human NT-647-labeled C-terminal domain STING R232 mutant (149 to 379residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 10 mins by MTS assay
50015584	19	ChEMBL_2184643 (CHEMBL5096725)	Antagonist activity at STING in MEF cells by Flowcytometry assay
50015584	20	ChEMBL_2184644 (CHEMBL5096726)	Antagonist activity at STING in human IMR-90 cells by Flowcytometry assay
50015584	21	ChEMBL_2184645 (CHEMBL5096727)	Antagonist activity at STING (unknown origin) in L929 cells assessed as IFN-beta RNA level q-RTPCR analysis
50015584	22	ChEMBL_2184649 (CHEMBL5096731)	Binding affinity to C-terminal domain human STING (139 to 379 residues) assessed as dissociation constant by DSF method
50015585	1	ChEMBL_2184652 (CHEMBL5096734)	Binding affinity to Guinea pig brain Sigma1 receptor assessed as inhibition constant
50015585	2	ChEMBL_2184653 (CHEMBL5096735)	Binding affinity to rat liver Sigma2 receptor assessed as inhibition constant
50015585	3	ChEMBL_2184657 (CHEMBL5096739)	Binding affinity to full-length human NEMO (1 to 419 residues) assessed as dissociation constant
50015585	4	ChEMBL_2184658 (CHEMBL5096740)	Agonist activity at RXRalpha (unknown origin) using fluorescein-D22 as substrate by fluorescence polarization assay
50015585	5	ChEMBL_2184660 (CHEMBL5096742)	Inhibition of MCL1 (unknown origin)
50015585	6	ChEMBL_2184662 (CHEMBL5096744)	Inhibition of PGAM1 in human MDA-MB-231 cells
50015585	7	ChEMBL_2184664 (CHEMBL5096746)	Inhibition of human MetAP2
50015586	1	ChEMBL_2184680 (CHEMBL5096762)	Inhibition of PD-L1 (unknown origin) by HTRF assay
50015586	2	ChEMBL_2184681 (CHEMBL5096763)	Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay
50015586	3	ChEMBL_2184684 (CHEMBL5096766)	Inhibition of PD-L1 (unknown origin)
50015586	4	ChEMBL_2184685 (CHEMBL5096767)	Inhibition of VISTA (unknown origin)
50015586	5	ChEMBL_2184686 (CHEMBL5096768)	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 15 mins by HTRF assay
50015586	6	ChEMBL_2184689 (CHEMBL5096771)	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 1 to 24 hrs by HTRF assay
50015586	7	ChEMBL_2184690 (CHEMBL5096772)	Inhibition of PD-1/PD-L1 interaction (unknown origin)
50015586	8	ChEMBL_2184691 (CHEMBL5096773)	Inhibition of PD-1/PD-L1 interaction (unknown origin) by HTRF binding assay
50015586	9	ChEMBL_2184692 (CHEMBL5096774)	Inhibition of human PD-1/PD-L1 interaction by HTRF binding assay
50015586	10	ChEMBL_2184693 (CHEMBL5096775)	Inhibition of His-tagged PD-1/PD-L1 interaction (unknown origin) incubated for 1 to 4 hrs by HTRF binding assay
50015586	11	ChEMBL_2184695 (CHEMBL5096777)	Inhibition of recombinant human PD-1/PD-L1 interaction incubated for 40 mins by HTRF binding assay
50015587	1	ChEMBL_2184697 (CHEMBL5096779)	Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	2	ChEMBL_2184698 (CHEMBL5096780)	Inhibition of HDAC2 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	3	ChEMBL_2184699 (CHEMBL5096781)	Inhibition of HDAC3 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	4	ChEMBL_2184700 (CHEMBL5096782)	Inhibition of HDAC4 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	5	ChEMBL_2184701 (CHEMBL5096783)	Inhibition of HDAC5 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	6	ChEMBL_2184702 (CHEMBL5096784)	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	7	ChEMBL_2184703 (CHEMBL5096785)	Inhibition of HDAC7 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	8	ChEMBL_2184704 (CHEMBL5096786)	Inhibition of HDAC8 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	9	ChEMBL_2184705 (CHEMBL5096787)	Inhibition of HDAC9 (unknown origin) using MAZ-1675 as substrate preincubated for 10 mins followed by substrate addition by microtiter plate reader assay
50015587	10	ChEMBL_2184706 (CHEMBL5096788)	Inhibition of recombinant full length HDAC1 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	11	ChEMBL_2184707 (CHEMBL5096789)	Inhibition of recombinant full length HDAC2 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	12	ChEMBL_2184708 (CHEMBL5096790)	Inhibition of recombinant full length HDAC3 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	13	ChEMBL_2184709 (CHEMBL5096791)	Inhibition of recombinant full length HDAC6 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	14	ChEMBL_2184710 (CHEMBL5096792)	Inhibition of recombinant full length HDAC4 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	15	ChEMBL_2184711 (CHEMBL5096793)	Inhibition of recombinant full length HDAC5 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	16	ChEMBL_2184712 (CHEMBL5096794)	Inhibition of recombinant full length HDAC7 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	17	ChEMBL_2184713 (CHEMBL5096795)	Inhibition of recombinant full length HDAC8 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	18	ChEMBL_2184714 (CHEMBL5096796)	Inhibition of recombinant full length HDAC9 (unknown origin) using fluorophore conjugated substrate by microplate reader assay
50015587	19	ChEMBL_2184716 (CHEMBL5096798)	Inhibition of BCL-2 (unknown origin)
50015587	20	ChEMBL_2184717 (CHEMBL5096799)	Inhibition of human recombinant HDAC1 incubated for 45 mins by microplate reader assay
50015587	21	ChEMBL_2184718 (CHEMBL5096800)	Inhibition of human recombinant HDAC2 incubated for 45 mins by microplate reader assay
50015587	22	ChEMBL_2184719 (CHEMBL5096801)	Inhibition of human recombinant HDAC3 incubated for 45 mins by microplate reader assay
50015587	23	ChEMBL_2184720 (CHEMBL5096802)	Inhibition of human recombinant HDAC4 incubated for 45 mins by microplate reader assay
50015587	24	ChEMBL_2184721 (CHEMBL5096803)	Inhibition of human recombinant HDAC5 incubated for 45 mins by microplate reader assay
50015587	25	ChEMBL_2184722 (CHEMBL5096804)	Inhibition of human recombinant HDAC6 incubated for 45 mins by microplate reader assay
50015587	26	ChEMBL_2184723 (CHEMBL5096805)	Inhibition of human recombinant HDAC7 incubated for 45 mins by microplate reader assay
50015587	27	ChEMBL_2184724 (CHEMBL5096806)	Inhibition of human recombinant HDAC8 incubated for 45 mins by microplate reader assay
50015587	28	ChEMBL_2184725 (CHEMBL5096807)	Inhibition of human recombinant HDAC9 incubated for 45 mins by microplate reader assay
50015587	29	ChEMBL_2184726 (CHEMBL5096808)	Inhibition of human recombinant HDAC10 incubated for 45 mins by microplate reader assay
50015587	30	ChEMBL_2184727 (CHEMBL5096809)	Inhibition of human recombinant HDAC11 incubated for 45 mins by microplate reader assay
50015587	31	ChEMBL_2184728 (CHEMBL5096810)	Inhibition of HDAC1 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	32	ChEMBL_2184729 (CHEMBL5096811)	Inhibition of HDAC2 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	33	ChEMBL_2184730 (CHEMBL5096812)	Inhibition of HDAC3 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	34	ChEMBL_2184731 (CHEMBL5096813)	Inhibition of HDAC4 (unknown origin) using Acetyl-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate by fluorescence assay
50015587	35	ChEMBL_2184732 (CHEMBL5096814)	Inhibition of HDAC5 (unknown origin) using Acetyl-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate by fluorescence assay
50015587	36	ChEMBL_2184733 (CHEMBL5096815)	Inhibition of HDAC7 (unknown origin) using Acetyl-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate by fluorescence assay
50015587	37	ChEMBL_2184734 (CHEMBL5096816)	Inhibition of HDAC9 (unknown origin) using Acetyl-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate by fluorescence assay
50015587	38	ChEMBL_2184735 (CHEMBL5096817)	Inhibition of HDAC6 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	39	ChEMBL_2184736 (CHEMBL5096818)	Inhibition of HDAC10 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	40	ChEMBL_2184737 (CHEMBL5096819)	Inhibition of HDAC11 (unknown origin) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50015587	41	ChEMBL_2184738 (CHEMBL5096820)	Inhibition of HDAC8 (unknown origin) using RHKAcKAc fluorogenic-diacyl peptide as substrate by fluorescence assay
50015587	42	ChEMBL_2184739 (CHEMBL5096821)	Inhibition of recombinant HDAC1 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	43	ChEMBL_2184740 (CHEMBL5096822)	Inhibition of recombinant HDAC2 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	44	ChEMBL_2184741 (CHEMBL5096823)	Inhibition of recombinant HDAC3 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	45	ChEMBL_2184742 (CHEMBL5096824)	Inhibition of recombinant HDAC6 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	46	ChEMBL_2184743 (CHEMBL5096825)	Inhibition of recombinant HDAC10 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	47	ChEMBL_2184744 (CHEMBL5096826)	Inhibition of recombinant HDAC11 (unknown origin) using RHKKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	48	ChEMBL_2184745 (CHEMBL5096827)	Inhibition of recombinant HDAC4 (unknown origin) using acetyl-Lys(trifluoroacetyl)-AMC fluorogenic substrate by microtiter plate reader assay
50015587	49	ChEMBL_2184746 (CHEMBL5096828)	Inhibition of recombinant HDAC5 (unknown origin) using acetyl-Lys(trifluoroacetyl)-AMC fluorogenic substrate by microtiter plate reader assay
50015587	50	ChEMBL_2184747 (CHEMBL5096829)	Inhibition of recombinant HDAC7 (unknown origin) using acetyl-Lys(trifluoroacetyl)-AMC fluorogenic substrate by microtiter plate reader assay
50015587	51	ChEMBL_2184748 (CHEMBL5096830)	Inhibition of recombinant HDAC9 (unknown origin) using acetyl-Lys(trifluoroacetyl)-AMC fluorogenic substrate by microtiter plate reader assay
50015587	52	ChEMBL_2184749 (CHEMBL5096831)	Inhibition of recombinant HDAC8 (unknown origin) using RHKAcKAc-AMC fluorogenic substrate by microtiter plate reader assay
50015587	53	ChEMBL_2184750 (CHEMBL5096832)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by microplate reader assay
50015587	54	ChEMBL_2184751 (CHEMBL5096833)	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by microplate reader assay
50015587	55	ChEMBL_2184752 (CHEMBL5096834)	Inhibition of HDAC1 (unknown origin)
50015587	56	ChEMBL_2184753 (CHEMBL5096835)	Inhibition of HDAC6 (unknown origin)
50015587	57	ChEMBL_2184754 (CHEMBL5096836)	Inhibition of full length human recombinant HDAC1 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	58	ChEMBL_2184755 (CHEMBL5096837)	Inhibition of full length human recombinant HDAC2 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	59	ChEMBL_2184756 (CHEMBL5096838)	Inhibition of full length human recombinant HDAC3 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	60	ChEMBL_2184757 (CHEMBL5096839)	Inhibition of full length human recombinant HDAC6 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	61	ChEMBL_2184758 (CHEMBL5096840)	Inhibition of full length human recombinant HDAC8 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	62	ChEMBL_2184759 (CHEMBL5096841)	Inhibition of full length human recombinant HDAC10 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	63	ChEMBL_2184760 (CHEMBL5096842)	Inhibition of full length human recombinant HDAC11 incubated for 30 to 60 mins by HDAC-Glo I/II assay
50015587	64	ChEMBL_2184761 (CHEMBL5096843)	Inhibition of full length human recombinant HDAC1 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	65	ChEMBL_2184762 (CHEMBL5096844)	Inhibition of full length human recombinant HDAC2 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	66	ChEMBL_2184763 (CHEMBL5096845)	Inhibition of full length human recombinant HDAC3 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	67	ChEMBL_2184764 (CHEMBL5096846)	Inhibition of full length human recombinant HDAC6 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	68	ChEMBL_2184765 (CHEMBL5096847)	Inhibition of full length human recombinant HDAC10 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	69	ChEMBL_2184766 (CHEMBL5096848)	Inhibition of full length human recombinant HDAC11 using RHKKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	70	ChEMBL_2184767 (CHEMBL5096849)	Inhibition of full length human recombinant HDAC4 using Ac-LGK(TFA)-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	71	ChEMBL_2184768 (CHEMBL5096850)	Inhibition of full length human recombinant HDAC5 using Ac-LGK(TFA)-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	72	ChEMBL_2184769 (CHEMBL5096851)	Inhibition of full length human recombinant HDAC7 using Ac-LGK(TFA)-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	73	ChEMBL_2184770 (CHEMBL5096852)	Inhibition of full length human recombinant HDAC9 using Ac-LGK(TFA)-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	74	ChEMBL_2184771 (CHEMBL5096853)	Inhibition of full length human recombinant HDAC8 using RHKKAcKAc-AMC fluorogenic peptide as substrate incubated for 2 hrs by microplate reader assay
50015587	75	ChEMBL_2184772 (CHEMBL5096854)	Inhibition of human recombinant HDAC1 using ZMAL -Z-(Ac)Lys-AMC fluorogenic substrate incubated for 30 mins by microplate reader assay
50015587	76	ChEMBL_2184773 (CHEMBL5096855)	Inhibition of human recombinant HDAC6 using ZMAL -Z-(Ac)Lys-AMC fluorogenic substrate incubated for 30 mins by microplate reader assay
50015587	77	ChEMBL_2184774 (CHEMBL5096856)	Inhibition of full length human recombinant HDAC1 expressed in baculovirus infected Sf9 cells using RHKKAc fluorogenic peptide as substrate incubated for 2 hrs
50015587	78	ChEMBL_2184775 (CHEMBL5096857)	Inhibition of full length human recombinant HDAC2 expressed in baculovirus infected Sf9 cells using RHKKAc fluorogenic peptide as substrate incubated for 2 hrs
50015587	79	ChEMBL_2184776 (CHEMBL5096858)	Inhibition of full length human recombinant HDAC3 expressed in baculovirus infected Sf9 cells using RHKKAc fluorogenic peptide as substrate incubated for 2 hrs
50015587	80	ChEMBL_2184777 (CHEMBL5096859)	Inhibition of full length human recombinant HDAC6 expressed in baculovirus infected Sf9 cells using RHKKAc fluorogenic peptide as substrate incubated for 2 hrs
50015587	81	ChEMBL_2184778 (CHEMBL5096860)	Inhibition of full length human recombinant HDAC10 expressed in baculovirus infected Sf9 cells using RHKKAc fluorogenic peptide as substrate incubated for 2 hrs
50015587	82	ChEMBL_2184782 (CHEMBL5096864)	Inhibition of human recombinant HDAC6 using BML-AK511 as substrate incubated for 60 mins by fluorimetric assay
50015590	1	ChEMBL_2184794 (CHEMBL5096876)	Inhibition of HuMetAP1 using Met-Pro-pNA as substrate by spectrophotometer based analysis
50015590	2	ChEMBL_2184795 (CHEMBL5096877)	Inhibition of HuMetAP2 using Met-Pro-pNA as substrate by spectrophotometer based analysis
50015590	3	ChEMBL_2184800 (CHEMBL5096882)	Inhibition of porcine kidney aminopeptidase N using Leu-pNA as substrate by microplate reader analysis
50015591	1	ChEMBL_2184820 (CHEMBL5096902)	Inhibition of recombinant human HDAC1 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	2	ChEMBL_2184821 (CHEMBL5096903)	Inhibition of recombinant human HDAC2 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	3	ChEMBL_2184822 (CHEMBL5096904)	Inhibition of recombinant human HDAC3 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	4	ChEMBL_2184823 (CHEMBL5096905)	Inhibition of recombinant human HDAC4 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	5	ChEMBL_2184824 (CHEMBL5096906)	Inhibition of recombinant human HDAC6 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	6	ChEMBL_2184825 (CHEMBL5096907)	Inhibition of recombinant human HDAC7 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	7	ChEMBL_2184826 (CHEMBL5096908)	Inhibition of recombinant human HDAC9 expressed in baculovirus expression system using KI-104 as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	8	ChEMBL_2184827 (CHEMBL5096909)	Inhibition of recombinant human HDAC8 expressed in baculovirus expression system using FDL as substrate incubated for 3 hrs by by fluorescence-based assay
50015591	9	ChEMBL_2184850 (CHEMBL5096932)	Competitive inhibition of SMYD2 (unknown origin) assessed as dissociation constant
50015591	10	ChEMBL_2184851 (CHEMBL5096933)	Inhibition of SMYD2 (unknown origin)
50015591	11	ChEMBL_2184874 (CHEMBL5096956)	Displacement of 3H-PDBu from recombinant human PKCgamma incubated for 25 mins by scintillation counter analysis
50015596	1	ChEMBL_2184884 (CHEMBL5096966)	Inhibition of recombinant LSD1 (unknown origin) using 10-acetyl-3,7-dihydroxyphenoxazine fluorometric substrate measured after 30 mins by multiplate reader
50015596	2	ChEMBL_2184885 (CHEMBL5096967)	Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as a substrate measured after 0.5 hrs by fluorescence based analysis
50015596	3	ChEMBL_2184888 (CHEMBL5096970)	Inhibition of LSD1 (unknown origin) by Spectra Max Paradigm Microplate Reader analysis
50015596	4	ChEMBL_2184891 (CHEMBL5096973)	Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 using H3K4me2 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50015596	5	ChEMBL_2184892 (CHEMBL5096974)	Inhibition of recombinant LSD1 (unknown origin) transfected in Escherichia coli BL21 (DE) using H3Kme2 as a substrate incubated for 30 mins by fluorescence based assay
50015597	1	ChEMBL_2184893 (CHEMBL5096975)	Inhibition of N-terminal 6His-tagged full-length H2N-VE(pY)LDLDLD(PEG8)RVD(pY)VVVDQQ-amide-activated SHP2 (247 to 529 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using DiFMUP as substrate preincubated for 10 to 30 mins with activating peptide prior to compound addition for 30 mins followed by substrate addition and measured for 6 mins by fluorescence based assay
50015597	2	ChEMBL_2184894 (CHEMBL5096976)	Inhibition of SHP2 (unknown origin) using EFpYAEVGRSPPDPAK incubated for 0.5 hrs by by malachite green reagent based assay
50015597	3	ChEMBL_2184897 (CHEMBL5096979)	Inhibition of recombinant human SHP2
50015597	4	ChEMBL_2184900 (CHEMBL5096982)	Inhibition of human recombinant SHP2 expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 2 mins followed by substrate addition by microplate spectrophotometer analysis
50015597	5	ChEMBL_2184901 (CHEMBL5096983)	Inhibition of recombinant human GST-tagged SHP2 expressed in Escherichia coli BL21 incubated for 30 mins by DiFMUP fluorescence assay
50015597	6	ChEMBL_2184903 (CHEMBL5096985)	Inhibition of human SHP2 catalytic domain expressed in Escherichia coli using p-nitrophenyl phosphate as substrate by spectrophotometric method
50015597	7	ChEMBL_2184904 (CHEMBL5096986)	Inhibition of GST-tagged SHP2 (unknown origin) using 8-difluoro-4-methylumbelliferyl phosphate as a substrate measured after 30 mins by fluorescence based analysis
50015597	8	ChEMBL_2184907 (CHEMBL5096989)	Inhibition of N-terminal hexaHis-tagged catalytic domain of human SHP2 (248 to 527 residues) expressed as Escherichia coli Rosetta (DE3) using DiFMUP as substrate preincubated for 1 hr followed by substrate addition by fluorescence based analysis
50015597	9	ChEMBL_2184909 (CHEMBL5096991)	Inhibition of SHP2 in mouse EMT6 cells harboring SOS1 mutation
50015598	1	ChEMBL_2184910 (CHEMBL5096992)	Inhibition of BRD2 (unknown origin)
50015598	2	ChEMBL_2184911 (CHEMBL5096993)	Inhibition of BRD4 (unknown origin)
50015598	3	ChEMBL_2184912 (CHEMBL5096994)	Inhibition of BRD3 (unknown origin)
50015598	4	ChEMBL_2184914 (CHEMBL5096996)	Inhibition of cMET (unknown origin)
50015598	5	ChEMBL_2184917 (CHEMBL5096999)	Binding affinity to CK1alpha (unknown origin) using casein as substrate by fluorescence based analysis
50015598	6	ChEMBL_2184921 (CHEMBL5097003)	Antagonist activity at resistant Smo D473H mutant (unknown origin) in presence of GDC0449
50015598	7	ChEMBL_2184923 (CHEMBL5097005)	Antagonist activity at resistant Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity incubated for 24 hrs by dual luciferase assay
50015598	8	ChEMBL_2184928 (CHEMBL5097010)	Inhibition of Smo D473H mutant (unknown origin) expressed in mouse NIH3T3 cells cotransfected with Gli luciferase reporter gene assessed as Gli luciferase activity incubated for 48 hrs by Bright-Glo reagent based luciferase assay
50015598	9	ChEMBL_2184932 (CHEMBL5097014)	Binding affinity to human SMO (181 to 787 residues) expressed in human HEK293 cells assessed as radioactivity incubated for 2 hrs in presence of H3-labeled smo antagonist by ligand-displacement assay
50015598	10	ChEMBL_2184935 (CHEMBL5097017)	Inhibition of wild type Smo (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
50015598	11	ChEMBL_2184936 (CHEMBL5097018)	Inhibition of Smo D473H mutant (unknown origin) expressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
50015598	12	ChEMBL_2184937 (CHEMBL5097019)	Inhibition of endogenous human Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
50015598	13	ChEMBL_2184938 (CHEMBL5097020)	Inhibition of endogenous mouse Smo overexpressed in mouse C3H 10T1/2 cells cotransfected with Gli reporter gene assessed as Gli luciferase activity by dual luciferase assay
50015598	14	ChEMBL_2184968 (CHEMBL5097050)	Inhibition of CDK2/cyclin A (unknown origin)
50015598	15	ChEMBL_2184977 (CHEMBL5097059)	Inhibition of CHK1 (unknown origin)
50015598	16	ChEMBL_2184978 (CHEMBL5097060)	Inhibition of ROCK1 (unknown origin)
50015598	17	ChEMBL_2184979 (CHEMBL5097061)	Inhibition of ROCK2 (unknown origin)
50015598	18	ChEMBL_2184980 (CHEMBL5097062)	Inhibition of WEE1 (unknown origin)
50015598	19	ChEMBL_2184991 (CHEMBL5097073)	Inhibition of human VEGFR2 (789 to 1356 residues) assessed as reduction in autophosphorylation at Y1175 residues using poly (Glu4Tyr1) peptide and ATP as substrate incubated for 60 mins by ADP-Glo Kinase Assay
50015599	1	ChEMBL_2184998 (CHEMBL5097080)	Inhibition of electric eel AChE preincubated for 5 mins followed by substrate addition using acetylthiocholine iodide as substrate by Ellman's method
50015599	2	ChEMBL_2184999 (CHEMBL5097081)	Inhibition of equine serum BuChE preincubated for 5 mins followed by substrate addition using S-butyrylthiocholine iodide as substrate by Ellman's method
50015599	3	ChEMBL_2185003 (CHEMBL5097085)	Inhibition of equine BuChE by Ellman's method
50015599	4	ChEMBL_2185005 (CHEMBL5097087)	Inhibition of human AchE preincubated for 20 mins followed by substrate addition using acetylthiocholine iodide as substrate by Ellman's method
50015599	5	ChEMBL_2185006 (CHEMBL5097088)	Inhibition of human BuchE preincubated for 20 mins followed by substrate addition using butyrylthiocholine iodide as substrate by Ellman's method
50015599	6	ChEMBL_2185011 (CHEMBL5097093)	Inhibition of electric eel AChE preincubated for 15 mins followed by substrate addition using acetylthiocholine iodide as substrate by Ellman's method
50015599	7	ChEMBL_2185014 (CHEMBL5097096)	Inhibition of AchE (unknown origin) using acetylcholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by DTNB reagent based Ellman's method
50015599	8	ChEMBL_2185015 (CHEMBL5097097)	Inhibition of BuchE (unknown origin) using butylthicoline iodide as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by DTNB reagent based Ellman's method
50015599	9	ChEMBL_2185017 (CHEMBL5097099)	Inhibition of human AchE preincubated for 6 mins followed by substrate addition and measured upto 3 mins using acetylthiocholine iodide as substrate by Ellman's method
50015599	10	ChEMBL_2185018 (CHEMBL5097100)	Inhibition of human BuchE preincubated for 6 mins followed by substrate addition and measured upto 3 mins using acetylthiocholine iodide as substrate by Ellman's method
50015599	11	ChEMBL_2185020 (CHEMBL5097102)	Inhibition of GluN1/GluN2B NMDA receptor (unknown origin) expressed in xenopus laevis oocytes with holding potential of -70 mV by two-electrode voltage-clamp assay
50015599	12	ChEMBL_2185021 (CHEMBL5097103)	Inhibition of electric eel AChE incubated for 15 mins using acetylthiocholine as substrate by Ellman's method
50015599	13	ChEMBL_2185022 (CHEMBL5097104)	Inhibition of equine BuChE incubated for 15 mins using using butyrylthiocholine as substrate by Ellman's method
50015599	14	ChEMBL_2185023 (CHEMBL5097105)	Inhibition of recombinant human MAO-A assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 30 mins by fluorescence spectrophotometry
50015599	15	ChEMBL_2185024 (CHEMBL5097106)	Inhibition of recombinant human MAO-B assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 30 mins by fluorescence spectrophotometry
50015599	16	ChEMBL_2185031 (CHEMBL5097113)	Inhibition of human BuchE preincubated for 30 mins followed by substrate addition using butyrylthiocholine iodide as substrate by Ellman's method
50015599	17	ChEMBL_2185032 (CHEMBL5097114)	Inhibition of electric eel AchE preincubated for 30 mins followed by substrate addition using acetylthiocholine iodide as substrate by Ellman's method
50015599	18	ChEMBL_2185033 (CHEMBL5097115)	Inhibition of equine serum BuChE preincubated for 5 mins followed by substrate addition and measured after 5 mins using S-butyrylthiocholine iodide as substrate by Ellman's method
50015599	19	ChEMBL_2185034 (CHEMBL5097116)	Inhibition of human AchE preincubated for 15 mins followed by substrate addition and measured for 5 mins using acetylthiocholine iodide as substrate by DTNB reagent based Ellman's method
50015599	20	ChEMBL_2185041 (CHEMBL5097123)	Inhibition of human AchE using acetylthiocholine iodide as substrate by Ellman colorimetric assay
50015599	21	ChEMBL_2185042 (CHEMBL5097124)	Inhibition of human BuchE using butyrylthiocholine iodide as substrate by Ellman colorimetric assay
50015599	22	ChEMBL_2185044 (CHEMBL5097126)	Inhibition of human BACE-1 by FRET-based fluorometric assay
50015599	23	ChEMBL_2185046 (CHEMBL5097128)	Inhibition of human AchE preincubated for 6 mins followed by substrate addition using acetylthiocholine iodide as substrate by DTNB reagent based Ellman method
50015599	24	ChEMBL_2185047 (CHEMBL5097129)	Inhibition of electric eel AchE preincubated for 6 mins followed by substrate addition using acetylthiocholine iodide as substrate by DTNB reagent based Ellman method
50015599	25	ChEMBL_2185048 (CHEMBL5097130)	Inhibition of human BuchE preincubated for 6 mins followed by substrate addition using butyrylthiocholine iodide as substrate by DTNB reagent based Ellman method
50015599	26	ChEMBL_2185049 (CHEMBL5097131)	Inhibition of equine serum BuchE preincubated for 6 mins followed by substrate addition using butyrylthiocholine iodide as substrate by DTNB reagent based Ellman method
50015599	27	ChEMBL_2185052 (CHEMBL5097134)	Inhibition of recombinant human MAO-A using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent based fluorometric analysis
50015599	28	ChEMBL_2185053 (CHEMBL5097135)	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent based fluorometric analysis
50015599	29	ChEMBL_2185055 (CHEMBL5097137)	Inhibition of human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by susbtrate addition and measured after 15 mins by HRP and Amplex Red reagent based fluorometric analysis
50015599	30	ChEMBL_2185056 (CHEMBL5097138)	Inhibition of human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by susbtrate addition and measured after 15 mins by HRP and Amplex Red reagent based fluorometric analysis
50015599	31	ChEMBL_2185057 (CHEMBL5097139)	Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 15 mins followed by enzyme addition and further incubated for 20 mins by fluorescence microplate reader analysis
50015600	1	ChEMBL_2185059 (CHEMBL5097141)	Inhibition of HDAC1 (unknown origin)
50015600	2	ChEMBL_2185060 (CHEMBL5097142)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	3	ChEMBL_2185061 (CHEMBL5097143)	Inhibition of BRD4 BD1 (unknown origin) by fluorescence based analysis
50015600	4	ChEMBL_2185063 (CHEMBL5097145)	Inhibition of BRD2 BD1 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	5	ChEMBL_2185064 (CHEMBL5097146)	Inhibition of BRD2 BD2 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	6	ChEMBL_2185065 (CHEMBL5097147)	Inhibition of BRD3 BD1 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	7	ChEMBL_2185066 (CHEMBL5097148)	Inhibition of BRD3 BD2 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	8	ChEMBL_2185067 (CHEMBL5097149)	Inhibition of BRD4 BD2 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	9	ChEMBL_2185068 (CHEMBL5097150)	Inhibition of BRDT BD1 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	10	ChEMBL_2185069 (CHEMBL5097151)	Inhibition of BRDT BD2 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	11	ChEMBL_2185070 (CHEMBL5097152)	Inhibition of BRD4 BD1 (unknown origin) incubated for 30 mins by fluorescence based microtiter plate reader assay
50015600	12	ChEMBL_2185071 (CHEMBL5097153)	Inhibition of BRD4 BD1 (unknown origin) incubated for 30 mins by fluorescence based multimode microtiter plate reader assay
50015600	13	ChEMBL_2185072 (CHEMBL5097154)	Inhibition of BRD4 BD2 (unknown origin) incubated for 30 mins by fluorescence based multimode microtiter plate reader assay
50015600	14	ChEMBL_2185073 (CHEMBL5097155)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by fluorescence based multimode microtiter plate reader assay
50015600	15	ChEMBL_2185075 (CHEMBL5097157)	Inhibition of BRD4 (unknown origin) incubated for 30 mins by ELISA method
50015600	16	ChEMBL_2185076 (CHEMBL5097158)	Inhibition of HDAC (unknown origin) incubated for 30 mins by ELISA method
50015600	17	ChEMBL_2185077 (CHEMBL5097159)	Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC fluorogenic substrate measured after 60 mins by fluorescence assay
50015602	1	ChEMBL_2185156 (CHEMBL5097238)	Inhibition of HDAC1 (unknown origin)
50015602	2	ChEMBL_2185157 (CHEMBL5097239)	Inhibition of HDAC2 (unknown origin)
50015602	3	ChEMBL_2185158 (CHEMBL5097240)	Inhibition of HDAC3 (unknown origin)
50015602	4	ChEMBL_2185159 (CHEMBL5097241)	Inhibition of HDAC4 (unknown origin)
50015602	5	ChEMBL_2185160 (CHEMBL5097242)	Inhibition of HDAC5 (unknown origin)
50015602	6	ChEMBL_2185161 (CHEMBL5097243)	Inhibition of HDAC6 (unknown origin)
50015602	7	ChEMBL_2185162 (CHEMBL5097244)	Inhibition of HDAC8 (unknown origin)
50015602	8	ChEMBL_2185163 (CHEMBL5097245)	Inhibition of HDAC9 (unknown origin)
50015602	9	ChEMBL_2185164 (CHEMBL5097246)	Inhibition of HDAC10 (unknown origin)
50015602	10	ChEMBL_2185165 (CHEMBL5097247)	Inhibition of HDAC11 (unknown origin)
50015604	1	ChEMBL_2185169 (CHEMBL5097251)	Positive allosteric modulator activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of EC20 GLP-1(9-36) induced cAMP accumulation in presence of IBMX relative to GLP-1(9-36)
50015604	2	ChEMBL_2185195 (CHEMBL5097277)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of GLP-1(7-36) induced cAMP accumulation
50015604	3	ChEMBL_2185196 (CHEMBL5097278)	Partial agonist activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of GLP-1(9-36) induced cAMP accumulation in presence of IBMX
50015604	4	ChEMBL_2185200 (CHEMBL5097282)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of GLP-1(9-36) induced cAMP accumulation in presence of IBMX
50015604	5	ChEMBL_2185204 (CHEMBL5097286)	Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as potentiation of GLP-1(9-36) induced beta-arrestin recruitment
50015604	6	ChEMBL_2185206 (CHEMBL5097288)	Positive allosteric modulator activity at human GLP-1R transfected in rat INS-1 832/13 cells assessed as potentiation of GLP-1(9-36) induced cAMP accumulation
50015607	1	ChEMBL_2185218 (CHEMBL5097300)	Binding affinity to haspin (unknown origin) assessed as dissociation constant
50015607	2	ChEMBL_2185219 (CHEMBL5097301)	Inhibition of EPHA3 (unknown origin) assessed as dissociation constant by ELISA-like binding assay
50015607	3	ChEMBL_2185221 (CHEMBL5097303)	Inhibition of PKA (unknown origin)
50015607	4	ChEMBL_2185223 (CHEMBL5097305)	Binding affinity to PKA (unknown origin) assessed as dissociation constant
50015607	5	ChEMBL_2185225 (CHEMBL5097307)	Inhibition of ROCK2 (unknown origin) assessed as dissociation constant
50015607	6	ChEMBL_2185227 (CHEMBL5097309)	Displacement of mAb(D38C6)-BTN from human recombinant PKAc alpha incubated for 15 mins by microplate reader assay
50015607	7	ChEMBL_2185228 (CHEMBL5097310)	Binding affinity to human wild-type PKAc beta assessed as dissociation constant
50015607	8	ChEMBL_2185229 (CHEMBL5097311)	Inhibition of CK2alpha in human MIA PaCa-2 cells incubated for 5 hrs by western blot analysis
50015607	9	ChEMBL_2185230 (CHEMBL5097312)	Inhibition of human CK2
50015607	10	ChEMBL_2185231 (CHEMBL5097313)	Inhibition of human recombinant ERK2 expressed in Escherichia coli DH5alpha incubated for 1 hr
50015607	11	ChEMBL_2185232 (CHEMBL5097314)	Binding affinity to N-terminal his6-tagged human recombinant Haspin (470 to 798 residues) assessed as dissociation constant
50015607	12	ChEMBL_2185234 (CHEMBL5097316)	Binding affinity to a TEV-cleavable N-terminal His6-tagged human recombinant haspin (470 to 798 residues) assessed as dissociation constant
50015607	13	ChEMBL_2185236 (CHEMBL5097318)	Binding affinity to chicken 6-His tagged c-Src expressed in Escherichia coli Bl21 (DE3) assessed as dissociation constant
50015607	14	ChEMBL_2185237 (CHEMBL5097319)	Inhibition of c-Src (unknown origin)
50015607	15	ChEMBL_2185238 (CHEMBL5097320)	Irreversible inhibition of wild type c-Src (unknown origin) assessed as inhibition constant by fluorimetric assay
50015607	16	ChEMBL_2185240 (CHEMBL5097322)	Inhibition of ROCK2 (unknown origin)
50015607	17	ChEMBL_2185242 (CHEMBL5097324)	Inhibition of human recombinant CK2alpha
50015607	18	ChEMBL_2185244 (CHEMBL5097326)	Activation of ERK5 (unknown origin)
50015607	19	ChEMBL_2185245 (CHEMBL5097327)	Activation of ERK5 in MEF cells
50015607	20	ChEMBL_2185246 (CHEMBL5097328)	Inhibition of haspin (unknown origin) by FRET assay
50015607	21	ChEMBL_2185247 (CHEMBL5097329)	Inhibition of mTOR (unknown origin) by HTRF assay
50015611	1	ChEMBL_2185256 (CHEMBL5097338)	Inhibition of HIV 1 capsid CTD dimerization incubated for 5 hrs by TR-FRET assay
50015612	1	ChEMBL_2185269 (CHEMBL5097351)	Inhibition of recombinant N-terminal MBP-tagged human PLK3-PBD expressed in Escherichia coli BL21(DE3) rosetta cells using 5-carboxyfluorescein-GPLATSpTPKNG-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence polarization assay
50015612	2	ChEMBL_2185270 (CHEMBL5097352)	Inhibition of PLK1 (unknown origin)
50015612	3	ChEMBL_2185271 (CHEMBL5097353)	Inhibition of recombinant N-terminal GST-tagged human PLK1 (1 to 603 residues) expressed in baculovirus expression system incubated for 45 mins using bovine milk casein as substrate in presence of [gamma-32P]ATP by by radiometric scintillation assay
50015612	4	ChEMBL_2185272 (CHEMBL5097354)	Binding affinity to recombinant N-terminal His6-DsRed tagged PLK1-PBD (unknown origin) expressed in Escherichia coli BL21(DE3) Rosetta cells by ITC analysis
50015612	5	ChEMBL_2185273 (CHEMBL5097355)	Inhibition of PLK1-PBD (unknown origin) using FITC-GPMQSpTPLNG-OH as substrate measured after 30 mins by Fluorescence polarization assay
50015612	6	ChEMBL_2185274 (CHEMBL5097356)	Inhibition of human PLK1-PBD expressed in Escherichia coli BL21(DE3) rosetta cells using 5-carboxyfluorescein-GPMQSpTPLNG-OH as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence polarization assay
50015612	7	ChEMBL_2185275 (CHEMBL5097357)	Inhibition of recombinant C-terminal 6His-tagged human PLK2-PBD expressed in Escherichia coli BL21(DE3) rosetta cells using 5-carboxyfluorescein-GPMQTSpTPKNG-OH as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence polarization assay
50015612	8	ChEMBL_2185281 (CHEMBL5097363)	Inhibition of human PLK1-PBD (326 to 603 residues) expressed in Escherichia coli BL21(DE3) rosetta cells using 5-carboxyfluorescein-GPMQSpTPLNG-OH as substrate preincubated for 1 hr followed by substrate addition and measured after 1 to 2 hr by fluorescence polarization assay
50015612	9	ChEMBL_2185282 (CHEMBL5097364)	Binding affinity to human PLK1-PBD (326 to 603 residues) expressed in Escherichia coli BL21(DE3) rosetta cells by microscale thermophoresis analysis
50015614	1	ChEMBL_2185283 (CHEMBL5097365)	Agonist activity at FFAR1 (unknown origin) expressed in CHO cells assessed as increase in calcium efflux by Fluo-4AM dye based FLIPR assay
50015614	2	ChEMBL_2185284 (CHEMBL5097366)	Agonist activity at FFAR1 (unknown origin)
50015614	3	ChEMBL_2185285 (CHEMBL5097367)	Agonist activity at human FFAR1 expressed in CHO cells assessed as increase in calcium efflux by Fluo-8AM dye based FLIPR assay
50015614	4	ChEMBL_2185287 (CHEMBL5097369)	Agonist activity at FFAR1 (unknown origin) expressed in CHO cells by FLIPR calcium assay
50015614	5	ChEMBL_2185288 (CHEMBL5097370)	Agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HepG2 cells incubated for 18 hrs by dual luciferase reporter assay
50015615	1	ChEMBL_2185294 (CHEMBL5097376)	Inhibition of PSMA derived from human LNCaP cell lysate assessed as inhibition of NAAG hydrolysis incubated for 2 hrs in presence of NAAG by Amplex Red assay
50015616	1	ChEMBL_2185359 (CHEMBL5097441)	Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cell membranes assessed as inhibition constant measured after 120 mins by liquid scintillation counting analysis
50015616	2	ChEMBL_2185360 (CHEMBL5097442)	Displacement of [3H]-1,3-di-O-tolylguanidine from human sigma 2 receptor/TMEM97 transfected in sigma 1 receptor knockout HEK293 cell membranes assessed as inhibition constant measured after 120 mins by liquid scintillation counting analysis
50015616	3	ChEMBL_2185378 (CHEMBL5097460)	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by Whole-cell patch clamp analysis
50015616	4	ChEMBL_2185397 (CHEMBL5097479)	Inhibition of hERG by patch clamp assay
50015618	1	ChEMBL_2185415 (CHEMBL5097497)	Inhibition of C-terminal His 6 tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3)
50015619	1	ChEMBL_2185475 (CHEMBL5097557)	Inhibition of N-terminal His/GST-tagged recombinant human p300 HAT domain (965 to 1810 residues) expressed in Sf9 insect cells using isotope labelled 3H-Ac-CoA as substrate incubated for 60 mins by microbeta counter based analysis
50015619	2	ChEMBL_2185486 (CHEMBL5097568)	Inhibition of Serratia marcescens chitinase B expressed in Escherichia coli BL21(DE3) cells using MU-(GlcNAc)2 as a substrate assessed as inhibition constant incubated for 25 mins by dixon plot analysis
50015619	3	ChEMBL_2185504 (CHEMBL5097586)	Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins by Ellman's colorimetric method
50015619	4	ChEMBL_2185505 (CHEMBL5097587)	Inhibition of human MAO-B preincubated for 30 mins followed by substrate addition and measured for 10 to 40 mins by fluorescence based assay
50015619	5	ChEMBL_2185507 (CHEMBL5097589)	Binding affinity to human Cht expressed in Pichia pastoris GS115 using MU-(GlcNAc)2 as substrate assessed as inhibition constant incubated for 25 mins by dixon plot analysis
50015619	6	ChEMBL_2185508 (CHEMBL5097590)	Inhibition of human AMcase expressed in Pichia pastoris GS115 using MU-(GlcNAc)2 as substrate assesed as inhibition constant incubated for 25 mins by dixon plot analysis
50015621	1	ChEMBL_2185519 (CHEMBL5097601)	Inhibition of p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by ATP addition measured for 30 to 120 mins by malachite green based assay
50015621	2	ChEMBL_2185521 (CHEMBL5097603)	Inhibition of p97 (unknown origin) incubated for 15 mins in presence of ATP by ADP Glo assay
50015621	3	ChEMBL_2185532 (CHEMBL5097614)	Inhibition of recombinant VPS4B (unknown origin) expressed in Escherichia coli (DE3) incubated for 10 mins by malachite green based ATPase assay
50015621	4	ChEMBL_2185538 (CHEMBL5097620)	Inhibition of p97 (unknown origin) in presence of ATP by Biomol Green Reagent based assay
50015621	5	ChEMBL_2185539 (CHEMBL5097621)	Inhibition of recombinant p97 (unknown origin) expressed in Escherichia coli (DE3) incubated for 30 mins by malachite green based ATPase assay
50015621	6	ChEMBL_2185540 (CHEMBL5097622)	Inhibition of wild-type Drosophila melanogaster Spastin (209 to 758 residues) in presence of ATP by NADH-coupled fluorescence assay
50015621	7	ChEMBL_2185542 (CHEMBL5097624)	Inhibition of mouse p97 expressed in Escherichia coli BL21 (DE3)
50015621	8	ChEMBL_2185543 (CHEMBL5097625)	Inhibition of human Spastin in presence of ATP
50015623	1	ChEMBL_2185544 (CHEMBL5097626)	Inhibition of GST-tagged MNK2 (unknown origin) using Ahx-IKKRKLTRRKSLKG-NH2 peptide as substrate
50015623	2	ChEMBL_2185545 (CHEMBL5097627)	Inhibition of GST-tagged MNK1 (unknown origin) expressed in Escherichia coli BL21(DE3) using 5-FAM-TATKSGSTTKNRFVV-NH 2 peptide as substrate incubated for 1 hr in presence of ATP by fluorescence polarization assay
50015623	3	ChEMBL_2185546 (CHEMBL5097628)	Inhibition of GST-tagged MNK2 (unknown origin) expressed in Escherichia coli BL21(DE3) using 5-FAM-TATKSGSTTKNRFVV-NH 2 peptide as substrate incubated for 1 hr in presence of ATP by fluorescence polarization assay
50015623	4	ChEMBL_2185547 (CHEMBL5097629)	Inhibition of GST-tagged MNK1 (unknown origin) using Ahx-IKKRKLTRRKSLKG-NH2 peptide as substrate
50015623	5	ChEMBL_2185548 (CHEMBL5097630)	Inhibition of MNK1 in HEK293 cells
50015623	6	ChEMBL_2185549 (CHEMBL5097631)	Inhibition of eIF4E phosphorylation in HEK293 cells incubated for 60 mins by Western blot assay
50015623	7	ChEMBL_2185550 (CHEMBL5097632)	Inhibition of MNK1 (unknown origin) using eIF4E as a substrate in presence of ATP
50015623	8	ChEMBL_2185551 (CHEMBL5097633)	Inhibition of MNK2 (unknown origin) using eIF4E as a substrate in presence of ATP
50015623	9	ChEMBL_2185552 (CHEMBL5097634)	Inhibition of MNK1 (unknown origin)
50015623	10	ChEMBL_2185553 (CHEMBL5097635)	Binding affinity to MNK1 (unknown origin) assessed as inhibition constant
50015623	11	ChEMBL_2185554 (CHEMBL5097636)	Binding affinity to MNK2 (unknown origin) assessed as inhibition constant
50015623	12	ChEMBL_2185555 (CHEMBL5097637)	Inhibition of MNK2 (unknown origin)
50015623	13	ChEMBL_2185559 (CHEMBL5097641)	Inhibition of recombinant MNK1 (unknown origin) in presence of ATP by ADP--Glo kinase assay
50015623	14	ChEMBL_2185560 (CHEMBL5097642)	Inhibition of recombinant MNK2 (unknown origin) in presence of ATP by ADP--Glo kinase assay
50015625	1	ChEMBL_2185609 (CHEMBL5097691)	Inhibition of NLRP3 inflammasome activation in LPS-primed C57BL/6 mouse bone marrow derived macrophages incubated for 30 mins in presence of ATP by immunoblotting analysis
50015625	2	ChEMBL_2185610 (CHEMBL5097692)	Inhibition of human cGAS expressed in human THP-1 cells transfected with HT-DNA incubated for 20 mins in presence of ATP by luminescence based analysis
50015625	3	ChEMBL_2185611 (CHEMBL5097693)	Antagonist activity at R848 stimulated TRL7 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by R848 stimulation measured after 20 hrs by SEAP reporter assay
50015625	4	ChEMBL_2185612 (CHEMBL5097694)	Antagonist activity at R848 stimulated TRL8 overexpressed in HEK293 cells measured after 20 to 24 hrs by SEAP reporter assay
50015625	5	ChEMBL_2185613 (CHEMBL5097695)	Antagonist activity at TLR9 (unknown origin)
50015625	6	ChEMBL_2185614 (CHEMBL5097696)	Antagonist activity at R848 stimulated TRL7 in HEK-Blue hTLR7 cells assessed as inhibition of NF kappa B/Ap-1 activation measured after 20 hrs by SEAP reporter assay
50015625	7	ChEMBL_2185615 (CHEMBL5097697)	Antagonist activity at R848 stimulated TRL8 in HEK-Blue hTLR8 cells assessed as inhibition of NF kappa B/Ap-1 activation measured after 20 hrs by SEAP reporter assay
50015625	8	ChEMBL_2185616 (CHEMBL5097698)	Antagonist activity at R848 stimulated TRL9 in HEK-Blue hTLR9 cells assessed as inhibition of NF kappa B/Ap-1 activation measured after 20 hrs by SEAP reporter assay
50015625	9	ChEMBL_2185617 (CHEMBL5097699)	Antagonist activity at TLR7 in human PBMC incubated for 3 hrs by TR-FRET assay
50015625	10	ChEMBL_2185618 (CHEMBL5097700)	Antagonist activity at TLR8 in human PBMC incubated for 3 hrs by TR-FRET assay
50015625	11	ChEMBL_2185619 (CHEMBL5097701)	Antagonist activity at TLR9 in human PBMC incubated for 3 hrs by TR-FRET assay
50015625	12	ChEMBL_2185620 (CHEMBL5097702)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta level incubated for 1 hr followed by stimulation for 30 mins in presence of ATP by ELISA method
50015625	13	ChEMBL_2185622 (CHEMBL5097704)	Inhibition of full length human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 2 hrs in presence of ATP by RF-MS analysis
50015625	14	ChEMBL_2185625 (CHEMBL5097707)	Inhibition of N-terminal 6XHis-SUMO2 fused full length human cGAS (1 to 522 residues) expressed in human THP-1 cells transfected with HT-DNA incubated for 20 mins in presence of ATP by luminescence based analysis
50015625	15	ChEMBL_2185626 (CHEMBL5097708)	Inhibition of cGAS expressed in human THP-1 cells assessed as reduction of IFN-beta expression by ELISA assay
50015625	16	ChEMBL_2185627 (CHEMBL5097709)	Antagonist activity at N-terminal 6XHis tagged human cGAS (155 to 522 residues) expressed in Escherichia coli BL21 DE3 Rosetta 2 in presence of ATP by luciferase based assay
50015625	17	ChEMBL_2185631 (CHEMBL5097713)	Inhibition of full-length human cGAS by fluorescence polarization
50015625	18	ChEMBL_2185632 (CHEMBL5097714)	Binding affinity to wild-type human STING CTD (149 to 379 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry assay
50015627	1	ChEMBL_2185635 (CHEMBL5097717)	Inhibition of EGFR T790M mutant (unknown origin)
50015627	2	ChEMBL_2185638 (CHEMBL5097720)	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50015627	3	ChEMBL_2185639 (CHEMBL5097721)	Inhibition of EGFR (unknown origin)
50015627	4	ChEMBL_2185642 (CHEMBL5097724)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) in presence of ATP by ADP-Glo assay
50015627	5	ChEMBL_2185644 (CHEMBL5097726)	Inhibition of EGFR (unknown origin) by ADP-Glo kinase assay
50015627	6	ChEMBL_2185646 (CHEMBL5097728)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50015627	7	ChEMBL_2185650 (CHEMBL5097732)	Inhibition of EGFR (unknown origin) incubated for 30 min in presence of ATP by fluorescence based assay
50015627	8	ChEMBL_2185651 (CHEMBL5097733)	Inhibition of ErbB2 (unknown origin) pre-incubated for 5 mins followed by substrate addition and measured after 30 mins in presence of ATP by microtitre plate reader analysis
50015627	9	ChEMBL_2185652 (CHEMBL5097734)	Inhibition of recombinant EGFR (unknown origin) using Poly-(Glu,Tyr 4:1) peptide as a substrate in presence of ATP by luminescence based assay
50015627	10	ChEMBL_2185653 (CHEMBL5097735)	Inhibition of EGFR L858R mutant (unknown origin)
50015627	11	ChEMBL_2185663 (CHEMBL5097745)	Inhibition of recombinant C-terminal His-tagged/N-terminal GST-tagged human EGFR expressed in sf9 insect cells using poly(Glu, Tyr) sodium salt (4:1, Glu:Tyr) as a substrate measured after 40 mins by Kinase-Glo reagent based luminescence analysis
50015627	12	ChEMBL_2185676 (CHEMBL5097758)	Inhibition of recombinant EGFR (unknown origin) using TMB as substrate incubated for 3 hrs in presence of ATP by ELISA
50015628	1	ChEMBL_2185679 (CHEMBL5097761)	Inhibition of human recombinant aromatase expressed in baculovirus insect cell using 7-methoxy-trifluoromethyl coumarin (MFC) as substrate preincubated for 10 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50015628	2	ChEMBL_2185690 (CHEMBL5097772)	Inhibition of pig brain tubulin polymerization by spectrometric method
50015628	3	ChEMBL_2185694 (CHEMBL5097776)	Inhibition of AKT1 (unknown origin)
50015628	4	ChEMBL_2185695 (CHEMBL5097777)	Inhibition of BRAF (unknown origin)
50015628	5	ChEMBL_2185696 (CHEMBL5097778)	Inhibition of BRAF V599E mutant(unknown origin)
50015628	6	ChEMBL_2185698 (CHEMBL5097780)	Inhibition of ALK (unknown origin)
50015628	7	ChEMBL_2185699 (CHEMBL5097781)	Inhibition of Aurora A(unknown origin)
50015628	8	ChEMBL_2185700 (CHEMBL5097782)	Inhibition of cKit (unknown origin)
50015628	9	ChEMBL_2185701 (CHEMBL5097783)	Inhibition of c-MET (unknown origin)
50015628	10	ChEMBL_2185702 (CHEMBL5097784)	Inhibition of FGFR2 (unknown origin)
50015628	11	ChEMBL_2185703 (CHEMBL5097785)	Inhibition of FLT3 (unknown origin)
50015628	12	ChEMBL_2185704 (CHEMBL5097786)	Inhibition of Lyn (unknown origin)
50015628	13	ChEMBL_2185705 (CHEMBL5097787)	Inhibition of SYK (unknown origin)
50015628	14	ChEMBL_2185706 (CHEMBL5097788)	Inhibition of EGFR (unknown origin)
50015628	15	ChEMBL_2185707 (CHEMBL5097789)	Inhibition of PTP1B (unknown origin) by SpectraMax 340 microplate reader Analysis
50015628	16	ChEMBL_2185708 (CHEMBL5097790)	Inhibition of TCPTP (unknown origin) by SpectraMax 340 microplate reader Analysis
50015628	17	ChEMBL_2185710 (CHEMBL5097792)	Inhibition of ERalpha (unknown origin) in MCF7 cells measured after 24 to 48 hrs by FRET assay
50015629	1	ChEMBL_2185714 (CHEMBL5097796)	Inhibition Aurora A (unknown origin) by Kinase-Glo luminescent kinase assay
50015629	2	ChEMBL_2185715 (CHEMBL5097797)	Inhibition Aurora B (unknown origin) by Kinase-Glo luminescent kinase assay
50015629	3	ChEMBL_2185717 (CHEMBL5097799)	Inhibition of Aurora A (unknown origin) using kemptide as substrate incubated for 50 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50015629	4	ChEMBL_2185718 (CHEMBL5097800)	Inhibition of EGFR (unknown origin) using Poly(Gly,Tyr) as substrate incubated for 45 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50015629	5	ChEMBL_2185719 (CHEMBL5097801)	Binding affinity to DNA-tagged EGFR (unknown origin) expressed in bacterial system assessed as binding constant (Kd) by competition binding assay
50015629	6	ChEMBL_2185720 (CHEMBL5097802)	Binding affinity to DNA-tagged Aurora A (unknown origin) expressed in mammalian system assessed as binding constant (Kd) by competition binding assay
50015629	7	ChEMBL_2185721 (CHEMBL5097803)	Binding affinity to DNA-tagged Aurora B (unknown origin) expressed in mammalian system assessed as binding constant (Kd) by competition binding assay
50015629	8	ChEMBL_2185722 (CHEMBL5097804)	Inhibition of N-terminal GST tagged Aurora A (unknown origin) expressed in recombinant baculovirus-infected Sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins followed by the addition of substrate for 90 mins in the presence of ATP by Kinase-Glo Plus reagent based luminescence assay
50015629	9	ChEMBL_2185735 (CHEMBL5097817)	Inhibition of human Aurora A using LeuArgArgAlaSerLeuGly as substrate
50015629	10	ChEMBL_2185736 (CHEMBL5097818)	Inhibition of Aurora A (unknown origin) using recombinant Lats2-N-ter as substrate incubated in the presence of ATP
50015630	1	ChEMBL_2185738 (CHEMBL5097820)	Inhibition of soybean LOX-1 using linoleic acid as substrate measured for 3 mins
50015630	2	ChEMBL_2185748 (CHEMBL5097830)	Inhibition of ovine COX-2 colorimetric enzyme immunoassay
50015630	3	ChEMBL_2185767 (CHEMBL5097849)	Inhibition of recombinant EGFR (unknown origin) expressed in baculovirus incubated for 10 mins by europium-labeled antiphosphotyrosine/enhancement solution based assay
50015630	4	ChEMBL_2185771 (CHEMBL5097853)	Binding affinity to human recombinant COX-2 assessed as inhibition constant preincubated for 5 mins followed by arachidonic acid addition measured every 30 sec for 10 mins by fluorescence based assay
50015630	5	ChEMBL_2185773 (CHEMBL5097855)	Inhibition of human recombinant COX-2 preincubated for 10 mins followed by arachidonic acid addition for 2 mins
50015630	6	ChEMBL_2185774 (CHEMBL5097856)	Inhibition of ovine COX-1 preincubated for 10 mins followed by arachidonic acid addition for 2 mins
50015630	7	ChEMBL_2185777 (CHEMBL5097859)	Inhibition of human recombinant COX-2
50015630	8	ChEMBL_2185778 (CHEMBL5097860)	Inhibition of ovine COX-2 using arachidonic acid as substrate measured after 2 mins by colorimetric enzyme immune assay
50015630	9	ChEMBL_2185785 (CHEMBL5097867)	Inhibition of ovine COX-2 by colorimetric inhibitor screening assay
50015632	1	ChEMBL_2185816 (CHEMBL5097898)	Binding affinity to recombinant N-terminal 6His-SUMO tagged human EED (81 to 441 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant measured after 240 sec by SPR-based binding assay
50015635	1	ChEMBL_2185846 (CHEMBL5097928)	Inhibition of hERG potassium channel assessed as maximum inhibition rate at -80 mV holding potential incubated for 120 seconds by whole cell-automated voltage clamp analysis assay
50015636	1	ChEMBL_2185901 (CHEMBL5097983)	Inhibition of full length recombinant human HDAC1 (1 to 482 residues) expressed in Baculovirus system using Ac-Leu-Gly-Lys (Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins
50015636	2	ChEMBL_2185902 (CHEMBL5097984)	Inhibition of recombinant HDAC3 (unknown origin) using Ac-Leu-Gly-Lys (Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins
50015636	3	ChEMBL_2185903 (CHEMBL5097985)	Inhibition of full length N-terminal GST-tagged human recombinant HDAC6 (1 to 1215 residues) expressed in Baculovirus infected Sf9 cells using Ac-Leu-Gly-Lys (Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins
50015636	4	ChEMBL_2185904 (CHEMBL5097986)	Inhibition of full length N-terminal GST-tagged human recombinant HDAC7 (501 to 952 residues) expressed in Baculovirus system using Ac-Leu-Gly-Lys (Ac)-AMC as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins
50015636	5	ChEMBL_2185905 (CHEMBL5097987)	Inhibition of full length C-terminal his-tagged human recombinant HDAC8 (142 to 143 residues) expressed in baculovirus in Sf9 insect cells using Ac-Leu-Gly-Lys (Tfa)-AMC as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins
50015636	6	ChEMBL_2185915 (CHEMBL5097997)	Inhibition of pig brain tubulin polymerization by spectrometric method
50015637	1	ChEMBL_2185968 (CHEMBL5098050)	Inhibition of recombinant His-tagged wild-type HIV-1 group M subtype B BH10 reverse transcriptase-associated RNase H activity harboring p66/p51 hetrodimer expressed in Escherichia coli M15 using GTTTTCTTTTCCCCCCTGAC-30 fluorescein/50-CAAAAGAAAAGGGGGGACUG-30 Dabcyl RNA/DNA template-primer as substrate incubated for 1 hr by multilabel counter plate reader analysis
50015637	2	ChEMBL_2185969 (CHEMBL5098051)	Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase activity using poly(A)-oligo(dT) as template/primer incubated for 30 mins by multilabel counter plate reader analysis
50015637	3	ChEMBL_2185970 (CHEMBL5098052)	Inhibition of recombinant His-tagged HIV-1 NL4-3 integrase expressed in Escherichia coli BL21 pLys using GTGTGGAAAATCTCTAGCA/ACTGCTAGAGATTTTCCACAC as DNA substrate incubated for 2 hrs by densitometric analysis
50015638	1	ChEMBL_2186012 (CHEMBL5098094)	Inhibition of NQO1 in human HT-29 cells
50015638	2	ChEMBL_2186014 (CHEMBL5098096)	Inhibition of STAT3 phosphorylation in human MDA-MB-231 cells incubated for 4 hrs by HTRF assay
50015638	3	ChEMBL_2186025 (CHEMBL5098107)	Inhibition of human BuChE at 550 uM using butyrylthiocholine chloride as substrate by Ellman's method
50015638	4	ChEMBL_2186027 (CHEMBL5098109)	Inhibition of ARSA (unknown origin) using 4-methylumbelliferyl sulfate (4-MUS) as a substrate by fluorescent assay
50015638	5	ChEMBL_2186028 (CHEMBL5098110)	Binding affinity to ARSA (unknown origin) assessed as dissociation constant by SPR analysis
50015639	1	ChEMBL_2186029 (CHEMBL5098111)	Partial agonist activity at wild type CB2 receptor (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	2	ChEMBL_2186031 (CHEMBL5098113)	Partial agonist activity at wild type CB2 receptor (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of cannabidiol by HTRF assay
50015639	3	ChEMBL_2186032 (CHEMBL5098114)	Partial agonist activity at wild type CB2 receptor (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of JWH-133 by HTRF assay
50015639	4	ChEMBL_2186035 (CHEMBL5098117)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	5	ChEMBL_2186036 (CHEMBL5098118)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of cannabidiol by HTRF assay
50015639	6	ChEMBL_2186037 (CHEMBL5098119)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of JWH-133 by HTRF assay
50015639	7	ChEMBL_2186041 (CHEMBL5098123)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	8	ChEMBL_2186042 (CHEMBL5098124)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of cannabidiol by HTRF assay
50015639	9	ChEMBL_2186043 (CHEMBL5098125)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of JWH-133 by HTRF assay
50015639	10	ChEMBL_2186048 (CHEMBL5098130)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	11	ChEMBL_2186049 (CHEMBL5098131)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of cannabidiol by HTRF assay
50015639	12	ChEMBL_2186050 (CHEMBL5098132)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of JWH-133 by HTRF assay
50015639	13	ChEMBL_2186054 (CHEMBL5098136)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	14	ChEMBL_2186055 (CHEMBL5098137)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of cannabidiol by HTRF assay
50015639	15	ChEMBL_2186056 (CHEMBL5098138)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) stably expressed in HEK293T assessed as decrease in forskolin induced cAMP level preincubated for 15 mins followed by forskolin addition incubated for 15 mins in presence of JWH-133 by HTRF assay
50015639	16	ChEMBL_2186060 (CHEMBL5098142)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins by AlphaScreenSureFire method
50015639	17	ChEMBL_2186061 (CHEMBL5098143)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of cannabidiol by AlphaScreenSureFire method
50015639	18	ChEMBL_2186062 (CHEMBL5098144)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of JWH-133 by AlphaScreenSureFire method
50015639	19	ChEMBL_2186066 (CHEMBL5098148)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins by AlphaScreenSureFire method
50015639	20	ChEMBL_2186067 (CHEMBL5098149)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of cannabidiol by AlphaScreenSureFire method
50015639	21	ChEMBL_2186068 (CHEMBL5098150)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of JWH-133 by AlphaScreenSureFire method
50015639	22	ChEMBL_2186072 (CHEMBL5098154)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins by AlphaScreenSureFire method
50015639	23	ChEMBL_2186073 (CHEMBL5098155)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of cannabidiol by AlphaScreenSureFire method
50015639	24	ChEMBL_2186074 (CHEMBL5098156)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of JWH-133 by AlphaScreenSureFire method
50015639	25	ChEMBL_2186078 (CHEMBL5098160)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins by AlphaScreenSureFire method
50015639	26	ChEMBL_2186079 (CHEMBL5098161)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of cannabidiol by AlphaScreenSureFire method
50015639	27	ChEMBL_2186080 (CHEMBL5098162)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of JWH-133 by AlphaScreenSureFire method
50015639	28	ChEMBL_2186085 (CHEMBL5098167)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins by AlphaScreenSureFire method
50015639	29	ChEMBL_2186086 (CHEMBL5098168)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of cannabidiol by AlphaScreenSureFire method
50015639	30	ChEMBL_2186087 (CHEMBL5098169)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in ERK1/2 phosphorylation incubated for 7 mins in presence of JWH-133 by AlphaScreenSureFire method
50015639	31	ChEMBL_2186091 (CHEMBL5098173)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths by DMR assay
50015639	32	ChEMBL_2186092 (CHEMBL5098174)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of cannabidiol by DMR assay
50015639	33	ChEMBL_2186093 (CHEMBL5098175)	Partial agonist activity at wild type CB2 receptor (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of JWH-133 by DMR assay
50015639	34	ChEMBL_2186097 (CHEMBL5098179)	Positive allosteric modulation of JWH-133-induced agonist activity at wild type CB2 receptor (unknown origin) stably expressed in HEK293T cells assessed as inhibition of forskolin-stimulated cAMP levels preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay
50015639	35	ChEMBL_2186098 (CHEMBL5098180)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths by DMR assay
50015639	36	ChEMBL_2186099 (CHEMBL5098181)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of cannabidiol by DMR assay
50015639	37	ChEMBL_2186100 (CHEMBL5098182)	Partial agonist activity at CBR2 V1133.32M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of JWH-133 by DMR assay
50015639	38	ChEMBL_2186104 (CHEMBL5098186)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths by DMR assay
50015639	39	ChEMBL_2186105 (CHEMBL5098187)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of cannabidiol by DMR assay
50015639	40	ChEMBL_2186106 (CHEMBL5098188)	Partial agonist activity at CBR2 V361.35M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of JWH-133 by DMR assay
50015639	41	ChEMBL_2186110 (CHEMBL5098192)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths by DMR assay
50015639	42	ChEMBL_2186111 (CHEMBL5098193)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of cannabidiol by DMR assay
50015639	43	ChEMBL_2186112 (CHEMBL5098194)	Partial agonist activity at CBR2 A2827.36M mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of JWH-133 by DMR assay
50015639	44	ChEMBL_2186116 (CHEMBL5098198)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths by DMR assay
50015639	45	ChEMBL_2186117 (CHEMBL5098199)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of cannabidiol by DMR assay
50015639	46	ChEMBL_2186118 (CHEMBL5098200)	Partial agonist activity at CBR2 S2857.39L mutant (unknown origin) expressed in HEK293T assessed as increase in picometer shifts of reflected light wavelengths in presence of JWH-133 by DMR assay
50015639	47	ChEMBL_2186122 (CHEMBL5098204)	Negative allosteric modulation of JWH-133-induced agonist activity at wild type CB2 receptor (unknown origin) stably expressed in HEK293T cells assessed as decrease in cAMP levels preincubated for 15 mins followed by forskolin addition incubated for 15 mins by HTRF assay relative to JWH-133
50015640	1	ChEMBL_2186179 (CHEMBL5098261)	Binding affinity to ALK (unknown origin) using TK as substrate incubated for 1 hr in presence of ATP by HTRF analysis
50015640	2	ChEMBL_2186191 (CHEMBL5098273)	Protac activity at CRBN/EML4-ALK in human NCI-H3122 cells assessed as induction of EML4-ALK fusion protein degradation incubated for 16 hrs by Western blot analysis
50015641	1	ChEMBL_2186291 (CHEMBL5098373)	Inhibition of L1 (unknown origin) using cefazolin as substrate incubated for 5 mins by Agilent UV8453 spectrometric analysis
50015643	1	ChEMBL_2186300 (CHEMBL5098382)	Inhibition of BTK (unknown origin) incubated 30 mins by FRET assay
50015643	2	ChEMBL_2186301 (CHEMBL5098383)	Inhibition of TEC (unknown origin)
50015643	3	ChEMBL_2186302 (CHEMBL5098384)	Inhibition of ITK (unknown origin)
50015643	4	ChEMBL_2186303 (CHEMBL5098385)	Inhibition of TKX (unknown origin)
50015643	5	ChEMBL_2186304 (CHEMBL5098386)	Inhibition of BMX (unknown origin)
50015643	6	ChEMBL_2186311 (CHEMBL5098393)	Binding affinity to human full length BTK C481S mutation (M1 to S659 residues ) expressed in mammalian expression system assessed dissociation constant by Kinomescan method
50015643	7	ChEMBL_2186312 (CHEMBL5098394)	Binding affinity to human partial length TEC (L341 to D620 residues ) expressed in bacterial expression system assessed dissociation constant by Kinomescan method
50015643	8	ChEMBL_2186313 (CHEMBL5098395)	Binding affinity to human partial length ITK (R335 to L620 residues ) expressed in bacterial expression system assessed dissociation constant by Kinomescan method
50015643	9	ChEMBL_2186314 (CHEMBL5098396)	Binding affinity to human partial length TXK (L238 to W527 residues ) expressed in bacterial expression system assessed dissociation constant by Kinomescan method
50015643	10	ChEMBL_2186315 (CHEMBL5098397)	Binding affinity to human full length BMX (M1 to H675 residues ) expressed in bacterial expression system assessed dissociation constant by Kinomescan method
50015643	11	ChEMBL_2186320 (CHEMBL5098402)	Inhibition of CD69 (unknown origin) in PBMC preincubated for 30 mins followed by IL-4 stimulation for 3 days by cell titer glo assay
50015643	12	ChEMBL_2186328 (CHEMBL5098410)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50015648	1	ChEMBL_2186335 (CHEMBL5098417)	Inhibition of recombinant NNMT (unknown origin) assessed as reduction in MNA concentration incubated for 10 mins by UHP-HILIC-MS analysis
50015648	2	ChEMBL_2186336 (CHEMBL5098418)	Inhibition of recombinant NNMT (unknown origin) assessed as reduction in MNA concentration incubated for 10 mins measured after 30 mins by LC-MS/MS-MRM analysis
50015648	3	ChEMBL_2186337 (CHEMBL5098419)	Binding affinity to human NNMT assessed as dissociation constant by isothermal titration calorimetry
50015649	1	ChEMBL_2186388 (CHEMBL5098470)	Inhibition of recombinant human GALK1 using galactose as substrate incubated for 1 hrs in the presence of ATP by Kinase-Glo reagent based luminescence assay
50015649	2	ChEMBL_2186389 (CHEMBL5098471)	Inhibition of mouse GALK1
50015650	1	ChEMBL_2186417 (CHEMBL5098499)	Inhibition of DENV2 NS2B-NS3 protease using fluorophore-tagged Bz-nKRR-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by microplate reader analysis
50015650	2	ChEMBL_2186420 (CHEMBL5098502)	Inhibition of DENV2 NS2B-NS3 protease using Boc-Gly-Arg-Arg-7-amino-4-methylcoumarin as substrate incubated for 10 mins by fluorometric assay
50015650	3	ChEMBL_2186422 (CHEMBL5098504)	Inhibition of DENV-2 NS2bNS3 pro
50015650	4	ChEMBL_2186427 (CHEMBL5098509)	Inhibition of Dengue Virus 1 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins
50015650	5	ChEMBL_2186428 (CHEMBL5098510)	Inhibition of Dengue Virus 2 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins
50015650	6	ChEMBL_2186429 (CHEMBL5098511)	Inhibition of Dengue Virus 3 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins
50015650	7	ChEMBL_2186431 (CHEMBL5098513)	Inhibition of DENV2 NS2B/NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate incubated for 15 mins
50015650	8	ChEMBL_2186433 (CHEMBL5098515)	Inhibition of DENV-2 NS2B/NS3 protease expressed in Escherichia coli XL1 using Boc-GRR-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins
50015650	9	ChEMBL_2186434 (CHEMBL5098516)	Inhibition of DENV2 NS2B-NS3 protease using Boc-Gly-Arg-Arg-MCA as substrate by fluorescence assay
50015650	10	ChEMBL_2186435 (CHEMBL5098517)	Inhibition of DENV2 NS2B-NS3 protease using Boc-Gly-Arg-7-amino-4-methylcoumarin as substrate preincubated for 10 mins followed by substrate addition and incubated for 60 mins by fluorescence spectroscopy assay
50015650	11	ChEMBL_2186436 (CHEMBL5098518)	Inhibition of DENV2 NS2B-NS3 protease
50015650	12	ChEMBL_2186444 (CHEMBL5098526)	Inhibition of DENV NS2B/NS3 protease transfected in human Huh-7 cells treated for 3 days by nano-glo luciferase assay
50015650	13	ChEMBL_2186445 (CHEMBL5098527)	Inhibition of Dengue Virus 4 recombinant NS2B-NS3 protease expressed in Escherichia coli using Bz-Nle-Arg-Arg-AMC as substrate incubated for 30 mins
50015650	14	ChEMBL_2186447 (CHEMBL5098529)	Inhibition of DENV NS2B/NS3 protease transfected in human Huh-7 cells using 7-amino-4-methylcoumarin (AMC) fluorophore-linked peptide substrate Boc-GRR-AMC as substrate by fluoroscence based assay
50015650	15	ChEMBL_2186458 (CHEMBL5098540)	Inhibition of DENV2 His tagged NS2B (48 to 95 residues)/NS3 (1 to 185 residues) protein protein interaction
50015650	16	ChEMBL_2186460 (CHEMBL5098542)	Inhibition of DENV3 NS2B-NS3 protease using PhAc-Lys-Arg-Arg-AMC as substrate incubated for 10 mins by fluorometric assay
50015650	17	ChEMBL_2186462 (CHEMBL5098544)	Inhibition of DENV NS2B/NS3 pro
50015650	18	ChEMBL_2186464 (CHEMBL5098546)	Binding affinity to DENV2 NS2B/NS3 protease assessed as inhibition constant
50015651	1	ChEMBL_2186469 (CHEMBL5098551)	Displacement of [3H]-CP55940 from recombinant human CB1 receptor expressed in CHO cells assessed as inhibition constant incubated for 120 mins by radioligand binding assay
50015651	2	ChEMBL_2186470 (CHEMBL5098552)	Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in CHO cells assessed as inhibition constant incubated for 120 mins by radioligand binding assay
50015651	3	ChEMBL_2186473 (CHEMBL5098555)	Agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin stimulation and measured after 15 mins by HTRF assay
50015651	4	ChEMBL_2186474 (CHEMBL5098556)	Agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins followed by forskolin stimulation and measured after 15 mins by HTRF assay
50015652	1	ChEMBL_2186512 (CHEMBL5098594)	Inhibition of N-terminal his6-tagged wild type recombinant human SHP2 (1 to 597 residues) expressed in Escherichia coli BL21 (DE3) cells using fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate as substrate pretreated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50015652	2	ChEMBL_2186513 (CHEMBL5098595)	Inhibition of human SHP2 assessed as downregulation of PERK level in human KYSE520 cells incubated for 2 hrs by Alpha screen assay
50015652	3	ChEMBL_2186531 (CHEMBL5098613)	Binding affinity to human wild type SHP2 assessed as dissociation constant by isothermal titration calorimetry assay
50015652	4	ChEMBL_2186534 (CHEMBL5098616)	Inhibition of hERG ion channel incubated for 3 hrs by fluorescence polarization assay
50015652	5	ChEMBL_2186537 (CHEMBL5098619)	Inhibition of hERG ion channel by manual patch clamp assay
50015654	1	ChEMBL_2186589 (CHEMBL5098671)	Inhibition of CDK9 (unknown origin) using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of ATP at Km concentration by plate reader analysis
50015654	2	ChEMBL_2186590 (CHEMBL5098672)	Inhibition of CDK1 (unknown origin) using 5FAM-RRRFRPASPLRGPPK-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of ATP at Km concentration by plate reader analysis
50015654	3	ChEMBL_2186591 (CHEMBL5098673)	Inhibition of CDK2 (unknown origin) using FL-Ahx-QSPKKG-CONH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of ATP at Km concentration by plate reader analysis
50015654	4	ChEMBL_2186592 (CHEMBL5098674)	Inhibition of CDK9 (unknown origin) using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of 5 mM ATP by plate reader analysis
50015654	5	ChEMBL_2186593 (CHEMBL5098675)	Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA polymerase II phosphorylation at ser2 residue incubated for 6 hrs by fluorescence based assay
50015654	6	ChEMBL_2186594 (CHEMBL5098676)	Activation of caspase 3/7 in human MV4-11 cells incubated for 6 hrs by Caspase-Glo 3/7 reagent based microplate reader analysis
50015654	7	ChEMBL_2186597 (CHEMBL5098679)	Inhibition of CDK7 (unknown origin) using 5FAM-YSPTSPSYSPTSPSYSPTSPSKKKK-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of ATP at Km concentration by plate reader analysis
50015654	8	ChEMBL_2186598 (CHEMBL5098680)	Inhibition of CDK12 (unknown origin) using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of ATP at Km concentration by plate reader analysis
50015654	9	ChEMBL_2186600 (CHEMBL5098682)	Inhibition of full length human GSK3beta in the presence of ATP at Km concentration
50015654	10	ChEMBL_2186601 (CHEMBL5098683)	Inhibition of CDK1 (unknown origin) using 5FAM-RRRFRPASPLRGPPK-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of 5 mM ATP by plate reader analysis
50015654	11	ChEMBL_2186602 (CHEMBL5098684)	Inhibition of CDK2 (unknown origin) using FL-Ahx-QSPKKG-CONH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of 5 mM ATP by plate reader analysis
50015654	12	ChEMBL_2186603 (CHEMBL5098685)	Inhibition of CDK7 (unknown origin) using 5FAM-YSPTSPSYSPTSPSYSPTSPSKKKK-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of 5 mM ATP by plate reader analysis
50015654	13	ChEMBL_2186604 (CHEMBL5098686)	Inhibition of CDK12 (unknown origin) using FITC-X-GSRTPMY-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 90 mins in the presence of 5 mM ATP by plate reader analysis
50015654	14	ChEMBL_2186627 (CHEMBL5098709)	Binding affinity to CDK9 (unknown origin) assessed as dissociation constant by Surface Plasmon Resonance assay
50015654	15	ChEMBL_2186629 (CHEMBL5098711)	Binding affinity to CDK9 (unknown origin) assessed as dissociation rate constant by Surface Plasmon Resonance assay
50015655	1	ChEMBL_2186645 (CHEMBL5098727)	Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay
50015655	2	ChEMBL_2186646 (CHEMBL5098728)	Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay
50015655	3	ChEMBL_2186647 (CHEMBL5098729)	Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay
50015655	4	ChEMBL_2186648 (CHEMBL5098730)	Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate incubated for 2 hrs by DELFIA assay
50015655	5	ChEMBL_2186649 (CHEMBL5098731)	Antagonist activity at N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs by DELFIA assay
50015655	6	ChEMBL_2186650 (CHEMBL5098732)	Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs by DELFIA assay
50015655	7	ChEMBL_2186651 (CHEMBL5098733)	Antagonist activity at N-terminal His-tagged cIAP1-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs by DELFIA assay
50015655	8	ChEMBL_2186652 (CHEMBL5098734)	Antagonist activity at N-terminal His-tagged cIAP2-BIR3 domain (unknown origin) expressed in Escherichia coli BL21 using AVPIAQKSEK-biotinylated peptide as substrate preincubated for 2 hrs with protein followed by substrate addition measured after 2 hrs by DELFIA assay
50015655	9	ChEMBL_2186658 (CHEMBL5098740)	Binding affinity to N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as inhibition constant using AVPIAQKSEK-biotinylated peptide as substrate incubated upto 40 mins by DELFIA assay
50015658	1	ChEMBL_2186666 (CHEMBL5098748)	Inhibition of human recombinant His-tagged HDAC1 expressed in baculovirus expression system incubated for 2 hrs by fluorescence based analysis
50015658	2	ChEMBL_2186667 (CHEMBL5098749)	Inhibition of human recombinant full-length His-tagged HDAC2 expressed in baculovirus expression system incubated for 2 hrs by fluorescence based analysis
50015658	3	ChEMBL_2186668 (CHEMBL5098750)	Inhibition of human recombinant His-tagged HDAC3 expressed in baculovirus expression system incubated for 2 hrs by fluorescence based analysis
50015658	4	ChEMBL_2186669 (CHEMBL5098751)	Inhibition of human recombinant His-tagged HDAC8 expressed in Escherichia coli incubated for 2 hrs by fluorescence based analysis
50015658	5	ChEMBL_2186674 (CHEMBL5098756)	Inhibition of HDAC1 (unknown origin)
50015658	6	ChEMBL_2186676 (CHEMBL5098758)	Inhibition of HDAC2 (unknown origin)
50015658	7	ChEMBL_2186677 (CHEMBL5098759)	Inhibition of HDAC3 (unknown origin)
50015658	8	ChEMBL_2186678 (CHEMBL5098760)	Inhibition of HDAC4 (unknown origin)
50015658	9	ChEMBL_2186679 (CHEMBL5098761)	Inhibition of HDAC5 (unknown origin)
50015658	10	ChEMBL_2186680 (CHEMBL5098762)	Inhibition of HDAC6 (unknown origin)
50015658	11	ChEMBL_2186685 (CHEMBL5098767)	Inhibition of human HDAC1 expressed in HEK293T cells by scintillation counting analysis
50015658	12	ChEMBL_2186686 (CHEMBL5098768)	Inhibition of human HDAC2 expressed in HEK293T cells by scintillation counting analysis
50015658	13	ChEMBL_2186687 (CHEMBL5098769)	Inhibition of human HDAC4 expressed in HEK293T cells by scintillation counting analysis
50015658	14	ChEMBL_2186688 (CHEMBL5098770)	Inhibition of human HDAC6 expressed in HEK293T cells by scintillation counting analysis
50015658	15	ChEMBL_2186694 (CHEMBL5098776)	Inhibition of HDAC (unknown origin)
50015658	16	ChEMBL_2186702 (CHEMBL5098784)	Inhibition of rat HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence based analysis
50015658	17	ChEMBL_2186705 (CHEMBL5098787)	Inhibition of HDAC4 in human HeLa cells incubated for 1 hr by mass spectrometry method
50015658	18	ChEMBL_2186706 (CHEMBL5098788)	Inhibition of HDAC1 in human HeLa cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based analysis
50015658	19	ChEMBL_2186707 (CHEMBL5098789)	Inhibition of HDAC6 in human HeLa cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based analysis
50015658	20	ChEMBL_2186708 (CHEMBL5098790)	Inhibition of recombinant HDAC1 (unknown origin) using AMC-K(Ac)GL as substrate by fluorescence based analysis
50015658	21	ChEMBL_2186709 (CHEMBL5098791)	Inhibition of recombinant HDAC6 (unknown origin) using AMC-K(Ac)GL as substrate by fluorescence based analysis
50015658	22	ChEMBL_2186713 (CHEMBL5098795)	Inhibition of beta-tubulin polymerization in human MCF7 cells using TMB as substrate incubated for 2 hrs by spectrophotometry analysis
50015658	23	ChEMBL_2186714 (CHEMBL5098796)	Inhibition of HDAC1 in human MCF7 cells using TMB as substrate incubated for 2 hrs by ELISA analysis
50015658	24	ChEMBL_2186715 (CHEMBL5098797)	Inhibition of HDAC2 in human MCF7 cells using TMB as substrate incubated for 2 hrs by ELISA analysis
50015661	1	ChEMBL_2186719 (CHEMBL5098801)	Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production incubated for 60 mins by fluorescence based analysis
50015661	2	ChEMBL_2186723 (CHEMBL5098805)	Displacement of [125I] Apelin-13 from human APJ expressed in HEK293FT cells incubated for 2 hrs by microbeta scintillation counter analysis
50015663	1	ChEMBL_2186759 (CHEMBL5098841)	Inhibition of human HDAC1 (379 to 382 residues) using RHKKAc as flurogenic substrate
50015663	2	ChEMBL_2186763 (CHEMBL5098845)	Inhibition of human HDAC2 (379 to 382 residues) using RHKKAc as flurogenic substrate
50015663	3	ChEMBL_2186764 (CHEMBL5098846)	Inhibition of human HDAC3 (379 to 382 residues) using RHKKAc as flurogenic substrate
50015663	4	ChEMBL_2186765 (CHEMBL5098847)	Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as flurogenic substrate
50015663	5	ChEMBL_2186766 (CHEMBL5098848)	Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as flurogenic substrate
50015663	6	ChEMBL_2186767 (CHEMBL5098849)	Inhibition of human HDAC6 (379 to 382 residues) using RHKKAc as flurogenic substrate
50015663	7	ChEMBL_2186768 (CHEMBL5098850)	Inhibition of human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC as flurogenic substrate
50015663	8	ChEMBL_2186769 (CHEMBL5098851)	Inhibition of human HDAC8 (379 to 382 residues) using RHKAcKAc as flurogenic substrate
50015663	9	ChEMBL_2186770 (CHEMBL5098852)	Inhibition of human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC as flurogenic substrate
50015663	10	ChEMBL_2186771 (CHEMBL5098853)	Inhibition of human HDAC10 using Ac-Spermidine-AMC as flurogenic substrate
50015663	11	ChEMBL_2186783 (CHEMBL5098865)	Inhibition of human full length recombinant MAO-A expressed in insect cells using kynuramine as substrate
50015663	12	ChEMBL_2186784 (CHEMBL5098866)	Inhibition of human full length recombinant MAO-B expressed in insect cells using kynuramine as substrate
50015664	1	ChEMBL_2186847 (CHEMBL5098929)	Antagonist activity at recombinant human alpha1beta2delta GABAA receptor expressed in HEK293 Flp-In cells by FMP assay
50015664	2	ChEMBL_2186850 (CHEMBL5098932)	Displacement of [3H]-muscimol from human GABAA alpha1beta3gamma2 stably expressed in Ltk cells assessed as inhibition constant by liquid scintillation counting method
50015664	3	ChEMBL_2186851 (CHEMBL5098933)	Antagonist activity at human alpha1beta2delta GABAA receptor expressed in HEK293 Flp-In cells by FMP assay
50015664	4	ChEMBL_2186852 (CHEMBL5098934)	Antagonist activity at human alpha4beta1delta GABAA receptor expressed in HEK293 Flp-In cells by FMP assay
50015664	5	ChEMBL_2186854 (CHEMBL5098936)	Antagonist activity at human alpha1beta2gamma2 GABAA receptor expressed in HEK293 cells by FMP assay
50015664	6	ChEMBL_2186856 (CHEMBL5098938)	Antagonist activity at human alpha2beta2gamma2 GABAA receptor expressed in HEK293 cells by FMP assay
50015664	7	ChEMBL_2186857 (CHEMBL5098939)	Antagonist activity at human alpha3beta2gamma2 GABAA receptor expressed in HEK293 cells by FMP assay
50015664	8	ChEMBL_2186858 (CHEMBL5098940)	Antagonist activity at human alpha5beta2gamma2 GABAA receptor expressed in HEK293 cells by FMP assay
50015664	9	ChEMBL_2186859 (CHEMBL5098941)	Antagonist activity at recombinant human alpha4beta1delta GABAA receptor expressed in HEK293 Flp-In cells by FMP assay
50015664	10	ChEMBL_2186862 (CHEMBL5098944)	Antagonist activity at human alpha1beta2gamma2 GABAA receptor expressed in HEK by FMP assay
50015664	11	ChEMBL_2186863 (CHEMBL5098945)	Antagonist activity at human alpha2beta2gamma2 GABAA receptor expressed in HEK cells by FMP assay
50015664	12	ChEMBL_2186864 (CHEMBL5098946)	Antagonist activity at human alpha3beta2gamma2 GABAA receptor expressed in HEKcells by FMP assay
50015664	13	ChEMBL_2186865 (CHEMBL5098947)	Antagonist activity at human alpha5beta2gamma2 GABAA receptor expressed in HEK cells by FMP assay
50015665	1	ChEMBL_2186889 (CHEMBL5098971)	Antagonist activity at FXR (unknown origin) expressed in HEK293T cells cotransfected with pCMV-Script-hFXR/pGL4.11-hSHP-Luciferase incubated for 24 hrs in presence of GW4064 by Steady-glo luciferase assay
50015665	2	ChEMBL_2186891 (CHEMBL5098973)	Agonist activity against TGR5 (unknown origin)
50015666	1	ChEMBL_2187009 (CHEMBL5099091)	Inhibition of human MATE1
50015667	1	ChEMBL_2187023 (CHEMBL5099105)	Inhibition of p97 (unknown origin) using ATP as substrate incubated for 60 mins by ADP-Glo reagent based luminescence assay
50015670	1	ChEMBL_2187072 (CHEMBL5099154)	Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50015670	2	ChEMBL_2187073 (CHEMBL5099155)	Binding affinity to S1PR1 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50015670	3	ChEMBL_2187074 (CHEMBL5099156)	Binding affinity to S1PR3 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50015670	4	ChEMBL_2187075 (CHEMBL5099157)	Binding affinity to S1PR4 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50015670	5	ChEMBL_2187076 (CHEMBL5099158)	Binding affinity to S1PR5 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50015671	1	ChEMBL_2187171 (CHEMBL5099253)	Inhibition of SMO in mouse 3T3/HH FlashII-7 cells incubated for 36 hrs in presence of SHH by Gli-luciferase reporter assay
50015671	2	ChEMBL_2187172 (CHEMBL5099254)	Inhibition of ERK2 (unknown origin) using kinase substrate 8 incubated for 40 mins in presence of ATP by mobility shift assay
50015674	1	ChEMBL_2187177 (CHEMBL5099259)	Agonist activity at human adenosine A1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by LANCE ultra assay
50015674	2	ChEMBL_2187179 (CHEMBL5099261)	Inhibition of CA200645 binding to NanoLuc-fused human adenosine A1 receptor expressed in HEK293 cells measured for 10 mins by NanoBRET competition binding assay
50015674	3	ChEMBL_2187180 (CHEMBL5099262)	Agonist activity at human adenosine A2A receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by LANCE ultra assay
50015674	4	ChEMBL_2187182 (CHEMBL5099264)	Agonist activity at human adenosine A2B receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by LANCE ultra assay
50015674	5	ChEMBL_2187184 (CHEMBL5099266)	Agonist activity at human adenosine A3 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by LANCE ultra assay
50015674	6	ChEMBL_2187186 (CHEMBL5099268)	Inhibition of CA200645 binding to NanoLuc-fused rat adenosine A1 receptor expressed in HEK293 cells measured for 10 mins by NanoBRET competition binding assay
50015674	7	ChEMBL_2187189 (CHEMBL5099271)	Inhibition of CA200645 binding to NanoLuc-fused human adenosine A1 receptor expressed in HEK293 cells assessed as kinetic dissociation constant by NanoBRET competition binding assay
50015674	8	ChEMBL_2187193 (CHEMBL5099275)	Inhibition of CA200645 binding to NanoLuc-fused rat adenosine A1 receptor expressed in HEK293 cells assessed as kinetic dissociation constant by NanoBRET competition binding assay
50015674	9	ChEMBL_2187197 (CHEMBL5099279)	Binding affinity to NanoLuc-fused human adenosine A1 receptor assessed as dissociation constant by saturation binding assay
50015674	10	ChEMBL_2187200 (CHEMBL5099282)	Binding affinity to NanoLuc-fused rat adenosine A1 receptor assessed as dissociation constant by saturation binding assay
50015674	11	ChEMBL_2187201 (CHEMBL5099283)	Inhibition of CA200645 binding to wild type NanoLuc-fused human adenosine A1 receptor expressed in HEK293 cells measured at 10 mins by NanoBRET competition binding assay
50015674	12	ChEMBL_2187202 (CHEMBL5099284)	Inhibition of CA200645 binding to NanoLuc-fused human adenosine A1 receptor I69 2.64A mutant expressed in HEK293 cells measured at 10 mins by NanoBRET competition binding assay
50015674	13	ChEMBL_2187203 (CHEMBL5099285)	Inhibition of CA200645 binding to NanoLuc-fused human adenosine A1 receptor N70 2.65A mutant expressed in HEK293 cells measured at 10 mins by NanoBRET competition binding assay
50015674	14	ChEMBL_2187204 (CHEMBL5099286)	Inhibition of CA200645 binding to NanoLuc-fused human adenosine A1 receptor T257 6.58A mutant expressed in HEK293 cells measured at 10 mins by NanoBRET competition binding assay
50015675	1	ChEMBL_2187206 (CHEMBL5099288)	Inhibition of PI3Kalpha (unknown origin) by mobility shift assay
50015675	2	ChEMBL_2187209 (CHEMBL5099291)	Inhibition of HDAC6 (unknown origin)
50015680	1	ChEMBL_2187294 (CHEMBL5099376)	Inhibition of STAT3 in human HEK293T cells assessed as inhibition of IL-6 stimulated STAT3 phosphorylation by dual-luciferase reporter assay
50015680	2	ChEMBL_2187307 (CHEMBL5099389)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 30 mins in presence of NADPH by HPLC analysis
50015680	3	ChEMBL_2187308 (CHEMBL5099390)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 60 mins in presence of NADPH by HPLC analysis
50015680	4	ChEMBL_2187309 (CHEMBL5099391)	Inhibition of CYP2C19 in human liver microsomes
50015680	5	ChEMBL_2187310 (CHEMBL5099392)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 60 mins in presence of NADPH by HPLC analysis
50015680	6	ChEMBL_2187311 (CHEMBL5099393)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by HPLC analysis
50015680	7	ChEMBL_2187356 (CHEMBL5099438)	Binding affinity to human recombinant STAT3 expressed in Escherichia coli BL21 by MST assay
50015680	8	ChEMBL_2187357 (CHEMBL5099439)	Inhibition of JAK1 (unknown origin)
50015680	9	ChEMBL_2187358 (CHEMBL5099440)	Inhibition of JAK2 (unknown origin)
50015680	10	ChEMBL_2187359 (CHEMBL5099441)	Inhibition of EGFR (unknown origin)
50015680	11	ChEMBL_2187360 (CHEMBL5099442)	Inhibition of SRC (unknown origin)
50015680	12	ChEMBL_2187361 (CHEMBL5099443)	Inhibition of ERK1 (unknown origin)
50015680	13	ChEMBL_2187362 (CHEMBL5099444)	Inhibition of JNK1 (unknown origin)
50015680	14	ChEMBL_2187363 (CHEMBL5099445)	Inhibition of p38delta (unknown origin)
50015681	1	ChEMBL_2187421 (CHEMBL5099503)	Binding affinity to recombinant human wild type partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system by KINOMEscan TM assay
50015681	2	ChEMBL_2187422 (CHEMBL5099504)	Binding affinity to recombinant human wild type partial length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system by KINOMEscan TM assay
50015682	1	ChEMBL_2187465 (CHEMBL5099547)	Inhibition of N-terminal GST-tagged human recombinant EGFR T790M/L858R mutant (695 to end residues) expressed in baculovirus-infected Sf9 cells using poly (4:1 Glu,Tyr) peptide as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50015682	2	ChEMBL_2187466 (CHEMBL5099548)	Inhibition of N-terminal GST-tagged human recombinant wild type EGFR (695 to end residues) expressed in baculovirus-infected Sf9 cells using poly (4:1 Glu,Tyr) peptide as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50015683	1	ChEMBL_2187487 (CHEMBL5099569)	Inhibition of HDAC in human NCI-H522 cells
50015683	2	ChEMBL_2187488 (CHEMBL5099570)	Inhibition of HDAC in human HCT-116 cells
50015683	3	ChEMBL_2187511 (CHEMBL5099593)	Inhibition of full length his6/FLAG-tagged human recombinant HDAC1(1 to 482 residues) expressed in Sf9 insect cells
50015683	4	ChEMBL_2187512 (CHEMBL5099594)	Inhibition of full length C-terminal his6-tagged human recombinant HDAC2 (1 to 488 residues)
50015683	5	ChEMBL_2187513 (CHEMBL5099595)	Inhibition of full length C-terminal FLAG-tagged human recombinant HDAC6 expressed inSf9 insect cells
50015683	6	ChEMBL_2187514 (CHEMBL5099596)	Inhibition of full length C-terminal his6/FLAG-tagged human recombinant HDAC3 (1 to 2383 residues) expressed in Sf9 insect cells
50015683	7	ChEMBL_2187515 (CHEMBL5099597)	Inhibition of full length C-terminal his-tagged human recombinant HDAC8 expressed in Sf9 insect cells
50015683	8	ChEMBL_2187516 (CHEMBL5099598)	Inhibition of full length N-terminal GST/C-terminal his-tagged human recombinant HDAC4 (627 to 1084 residues) expressed in Sf9 insect cells
50015684	1	ChEMBL_2187564 (CHEMBL5099646)	Binding affinity to first binding site of wild type TTR (unknown origin) assessed as dissociation constant by ITC assay
50015684	2	ChEMBL_2187567 (CHEMBL5099649)	Binding affinity to wild type TTR (unknown origin) assessed as dissociation constant by ITC assay
50015684	3	ChEMBL_2187568 (CHEMBL5099650)	Binding affinity to wild type TTR (unknown origin) assessed as gibbs free energy change by ITC analysis
50015684	4	ChEMBL_2187581 (CHEMBL5099663)	Binding affinity to second binding site of wild type TTR (unknown origin) assessed as dissociation constant by ITC assay
50015685	1	ChEMBL_2187623 (CHEMBL5099705)	Inhibition of human DGAT2 expressed in Sf9 insect cell membrane using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into triacylglycerol preincubated for 120 mins followed by substrate addition and measured after 40 mins by scintillation counting method
50015685	2	ChEMBL_2187627 (CHEMBL5099709)	Inhibition of mouse MGAT1 using [1-14C]decanoyl-CoA and 2-oleoylglycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacylglycerol preincubated for 30 mins followed by substrate addition and measured after 30 to 90 mins by scintillation counting method
50015685	3	ChEMBL_2187628 (CHEMBL5099710)	Inhibition of human MGAT2 using [1-14C]decanoyl-CoA and 1-decanoyl-rac-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacylglycerol preincubated for 30 mins followed by substrate addition and measured after 30 to 90 mins by scintillation counting method
50015685	4	ChEMBL_2187629 (CHEMBL5099711)	Inhibition of human MGAT3 using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacylglycerol preincubated for 30 mins followed by substrate addition and measured after 30 to 90 mins by scintillation counting method
50015685	5	ChEMBL_2187630 (CHEMBL5099712)	Inhibition of human DGAT1 using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into diacylglycerol preincubated for 30 mins followed by substrate addition and measured after 30 to 90 mins by scintillation counting method
50015685	6	ChEMBL_2187632 (CHEMBL5099714)	Reversible inhibition of CYP1A2 in pooled human liver microsomes using acetaminophen as substrate incubated for 20 mins in presence of NADPH by HPLC-MS/MS analysis
50015685	7	ChEMBL_2187633 (CHEMBL5099715)	Reversible inhibition of CYP3A4/5 in pooled human liver microsomes
50015685	8	ChEMBL_2187634 (CHEMBL5099716)	Reversible inhibition of CYP2B6 in pooled human liver microsomes
50015685	9	ChEMBL_2187635 (CHEMBL5099717)	Reversible inhibition of CYP2C8 in pooled human liver microsomes using desethylamodiaquine as substrate incubated for 10 mins in presence of NADPH by HPLC-MS/MS analysis
50015685	10	ChEMBL_2187636 (CHEMBL5099718)	Reversible inhibition of CYP2C9 in pooled human liver microsomes using 4-Hydroxydiclofenac as substrate incubated for 10 mins in presence of NADPH by HPLC-MS/MS analysis
50015685	11	ChEMBL_2187637 (CHEMBL5099719)	Reversible inhibition of CYP2C19 in pooled human liver microsomes using 4-Hydroxymephenytoin as substrate incubated for 20 mins in presence of NADPH by HPLC-MS/MS analysis
50015685	12	ChEMBL_2187638 (CHEMBL5099720)	Reversible inhibition of CYP2D6 in pooled human liver microsomes using dextrorphan as substrate incubated for 14 mins in presence of NADPH by HPLC-MS/MS analysis
50015685	13	ChEMBL_2187646 (CHEMBL5099728)	Inhibition of rat DGAT2 using [1-14C]decanoyl-CoA and 1,2-didecanoyl-sn-glycerol as substrates assessed as incorporation of [1-14C]decanoyl into triacylglycerol preincubated for 120 mins followed by substrate addition and measured after 40 mins by scintillation counting method
50015685	14	ChEMBL_2187676 (CHEMBL5099758)	Inhibition of hERG by patch-clamp method
50015685	15	ChEMBL_2187681 (CHEMBL5099763)	Inhibition of DGAT2 (unknown origin)
50015686	1	ChEMBL_2187795 (CHEMBL5099877)	Binding affinity to P62 (unknown origin) by MST assay
50015686	2	ChEMBL_2187801 (CHEMBL5099883)	Binding affinity to RNF168 (unknown origin) by MST assay
50015688	1	ChEMBL_2187819 (CHEMBL5099901)	Inhibition of EPHA2 (unknown origin) by ITC
50015688	2	ChEMBL_2187820 (CHEMBL5099902)	Inhibition of EPHA2 (unknown origin) by DELFIA assay
50015688	3	ChEMBL_2187821 (CHEMBL5099903)	Antagonist activity at EPHA2 in human BXPC-3 cells assessed as inhibition of ephrinA1-Fc induced degradation pretreated for 20 mins followed by ephrinA1-Fc addition for 3 hrs by Western blot analysis
50015690	1	ChEMBL_2187831 (CHEMBL5099913)	Agonist activity at NOD2 in HEK-Blue hNOD2 cells assessed as increase in NFkappaB activation incubated for 18 hrs by SEAP-based spectrophotometry analysis
50015690	2	ChEMBL_2187832 (CHEMBL5099914)	Agonist activity at TLR7 in HEK-Blue hTLR7 cells assessed as increase in NFkappaB activation incubated for 18 hrs by SEAP-based spectrophotometry analysis
50015691	1	ChEMBL_2187906 (CHEMBL5099988)	Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method
50015691	2	ChEMBL_2187907 (CHEMBL5099989)	Displacement of [3H]HOCPCA from native CaMK2alpha in rat brain cortical membrane homogenates measured after 1 hr by TopCount scintillation counting method
50015691	3	ChEMBL_2187908 (CHEMBL5099990)	Displacement of [3H]HOCPCA from recombinant rat CaMK2alpha expressed in HEK293T cells measured after 1 hr by liquid scintillation counting method
50015691	4	ChEMBL_2187910 (CHEMBL5099992)	Binding affinity to recombinant human CaMK2alpha 6x hub domain (345 to 475 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50015691	5	ChEMBL_2187920 (CHEMBL5100002)	Binding affinity to recombinant human CaMK2alpha 6x hub domain (345 to 475 residues) Trp403 residue assessed as inhibition of intrinsic tryptophan fluorescence by Trp flip assay
50015692	1	ChEMBL_2187928 (CHEMBL5100010)	Inhibition of CK1delta (unknown origin)
50015692	2	ChEMBL_2187929 (CHEMBL5100011)	Inhibition of CK1epsilon (unknown origin)
50015692	3	ChEMBL_2187930 (CHEMBL5100012)	Inhibition of CK1alpha (unknown origin)
50015692	4	ChEMBL_2187931 (CHEMBL5100013)	Inhibition of DNA-PK (unknown origin)
50015692	5	ChEMBL_2187932 (CHEMBL5100014)	Inhibition of PI3Kgamma (unknown origin)
50015692	6	ChEMBL_2187933 (CHEMBL5100015)	Inhibition of PI3Kalpha (unknown origin)
50015692	7	ChEMBL_2187934 (CHEMBL5100016)	Inhibition of PI3Kdelta (unknown origin)
50015692	8	ChEMBL_2187935 (CHEMBL5100017)	Inhibition of PI3Kbeta (unknown origin)
50015693	1	ChEMBL_2187970 (CHEMBL5100052)	Inhibition of CDK6/cyclin-D1 (unknown origin) in presence of ATP by time resolved-FRET assay
50015693	2	ChEMBL_2187972 (CHEMBL5100054)	Inhibition of CDK2/Cyclin A (unknown origin) in presence of ATP by time resolved-FRET assay
50015693	3	ChEMBL_2187973 (CHEMBL5100055)	Inhibition of CDK4/cyclin-D3 (unknown origin) in presence of ATP by time resolved-FRET assay
50015693	4	ChEMBL_2187974 (CHEMBL5100056)	Inhibition of CDK7/cyclin H/MAT1 (unknown origin) in presence of ATP by time resolved-FRET assay
50015693	5	ChEMBL_2187975 (CHEMBL5100057)	Inhibition of CDK9/Cyclin T1 (unknown origin) in presence of ATP by time resolved-FRET assay
50015694	1	ChEMBL_2188036 (CHEMBL5100118)	Binding affinity to recombinant HER2 (unknown origin) assessed as dissociation constant by SPR analysis
50015695	1	ChEMBL_2188086 (CHEMBL5100168)	Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50015695	2	ChEMBL_2188087 (CHEMBL5100169)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50015695	3	ChEMBL_2188089 (CHEMBL5100171)	Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50015695	4	ChEMBL_2188090 (CHEMBL5100172)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in Sf9 cells using Z-Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50015695	5	ChEMBL_2188091 (CHEMBL5100173)	Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys (trifluoroacetyl)-AMC as substrate incubated for 90 mins by microplate reader analysis
50015697	1	ChEMBL_2188137 (CHEMBL5100219)	Inhibition of TRKB (unknown origin)
50015697	2	ChEMBL_2188141 (CHEMBL5100223)	Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 residues) transfected in Escherichia coli using Tyr06 peptide as substrate incubated for 1 hr in presence of ATP by FRET-based Z'-Lyte assay
50015697	3	ChEMBL_2188144 (CHEMBL5100226)	Inhibition of AXL (unknown origin)
50015697	4	ChEMBL_2188145 (CHEMBL5100227)	Inhibition of TRKA (unknown origin)
50015697	5	ChEMBL_2188151 (CHEMBL5100233)	Inhibition of TRKC (unknown origin)
50015697	6	ChEMBL_2188214 (CHEMBL5100296)	Inhibition of CYP2C9 (unknown origin) in microsomes preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50015697	7	ChEMBL_2188215 (CHEMBL5100297)	Inhibition of CYP2D6 (unknown origin) in microsomes preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50015697	8	ChEMBL_2188216 (CHEMBL5100298)	Inhibition of CYP3A4 (unknown origin) in microsomes sing testosterone as a substrate preincubated for 5 mins followed by NADPH addition by LC-MS/MS analysis
50015697	9	ChEMBL_2188217 (CHEMBL5100299)	Inhibition of hERG expressed in HEK293 cells by whole-cell patch clamp technique
50015700	1	ChEMBL_2188225 (CHEMBL5100307)	Binding affinity to 15N-labelled His6-tagged SARS-CoV Mac3 (527 to 652 residue) expressed in Escherichia coli Rosetta assessed as chemical shift perturbations by NMR HSQC spectral analysis
50015702	1	ChEMBL_2188241 (CHEMBL5100323)	Inhibition of N-terminal His-Avi tagged recombinant human FGFR3 (447 to 761 residues) expressed in an Sf9 infected baculovirus expression system using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr by HTRF assay
50015702	2	ChEMBL_2188243 (CHEMBL5100325)	Inhibition of recombinant human FGFR1 using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr by HTRF assay
50015702	3	ChEMBL_2188244 (CHEMBL5100326)	Inhibition of recombinant human FGFR3 V555M mutant using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr by HTRF assay
50015702	4	ChEMBL_2188245 (CHEMBL5100327)	Inhibition of TEL-FGFR3 in mouse BaF3 cells incubated for 125 mins by plate reader analysis
50015702	5	ChEMBL_2188246 (CHEMBL5100328)	Inhibition of wild type partial length human FLT3 (V592 to Y969 residues) expressed in bacterial expression system using Ulight-p70S6K peptide substrate incubated for 90 mins in presence of ATP by HTRF assay
50015702	6	ChEMBL_2188247 (CHEMBL5100329)	Inhibition of wild type partial length human TRKA (G475 to G790 residues) expressed in mammalian expression system using Ulight-p70S6K peptide substrate incubated for 90 mins in presence of ATP by HTRF assay
50015702	7	ChEMBL_2188248 (CHEMBL5100330)	Inhibition of wild type partial length human KIT (I571 to D952 residues) expressed in bacterial expression system using Ulight-p70S6K peptide substrate incubated for 90 mins in presence of ATP by HTRF assay
50015702	8	ChEMBL_2188249 (CHEMBL5100331)	Inhibition of wild type partial length human PDGFRbeta (V582 to Y1009 residues) expressed in bacterial expression system using Ulight-p70S6K peptide substrate incubated for 90 mins in presence of ATP by HTRF assay
50015702	9	ChEMBL_2188254 (CHEMBL5100336)	Inhibition of human liver microsomes CYP3A4 using midazolam or testosterone as substrate in presence of NADPH regenerating system by LC-MS/MS analysis
50015702	10	ChEMBL_2188261 (CHEMBL5100343)	Inhibition of FGFR3 in human whole blood assessed as reduction in phosphorylated ERK incubated for 2 hrs by plate reader analysis
50015702	11	ChEMBL_2188263 (CHEMBL5100345)	Inhibition of N-terminal GST tagged recombinant human FGFR2 (400 to 821 residues) expressed in an Sf9 infected baculovirus expression system using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr by HTRF assay
50015702	12	ChEMBL_2188264 (CHEMBL5100346)	Inhibition of recombinant human FGFR4 (460 to 802 residues) using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr by HTRF assay
50015704	1	ChEMBL_2188269 (CHEMBL5100351)	Inhibition of recombinant AXL (unknown origin) using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50015704	2	ChEMBL_2188270 (CHEMBL5100352)	Inhibition of AXL in human HeLa cells incubated for 1 hr by ELISA
50015704	3	ChEMBL_2188272 (CHEMBL5100354)	Binding affinity to AXL (unknown origin) assessed as dissociation constant by competition binding assay
50015704	4	ChEMBL_2188273 (CHEMBL5100355)	Binding affinity to CSF1R (unknown origin) assessed as dissociation constant by competition binding assay
50015704	5	ChEMBL_2188274 (CHEMBL5100356)	Binding affinity to DDR1 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	6	ChEMBL_2188275 (CHEMBL5100357)	Binding affinity to EPHB6 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	7	ChEMBL_2188276 (CHEMBL5100358)	Binding affinity to FLT1 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	8	ChEMBL_2188277 (CHEMBL5100359)	Binding affinity to FLT3 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	9	ChEMBL_2188278 (CHEMBL5100360)	Binding affinity to FLT4 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	10	ChEMBL_2188279 (CHEMBL5100361)	Binding affinity to KIT (unknown origin) assessed as dissociation constant by competition binding assay
50015704	11	ChEMBL_2188280 (CHEMBL5100362)	Binding affinity to LOK (unknown origin) assessed as dissociation constant by competition binding assay
50015704	12	ChEMBL_2188281 (CHEMBL5100363)	Binding affinity to MAP4K5 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	13	ChEMBL_2188282 (CHEMBL5100364)	Binding affinity to MERTK (unknown origin) assessed as dissociation constant by competition binding assay
50015704	14	ChEMBL_2188283 (CHEMBL5100365)	Binding affinity to MET (unknown origin) assessed as dissociation constant by competition binding assay
50015704	15	ChEMBL_2188284 (CHEMBL5100366)	Binding affinity to MSTIR (unknown origin) assessed as dissociation constant by competition binding assay
50015704	16	ChEMBL_2188285 (CHEMBL5100367)	Binding affinity to PDGFRB (unknown origin) assessed as dissociation constant by competition binding assay
50015704	17	ChEMBL_2188286 (CHEMBL5100368)	Binding affinity to RET (unknown origin) assessed as dissociation constant by competition binding assay
50015704	18	ChEMBL_2188287 (CHEMBL5100369)	Binding affinity to TIE1 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	19	ChEMBL_2188288 (CHEMBL5100370)	Binding affinity to TIE2 (unknown origin) assessed as dissociation constant by competition binding assay
50015704	20	ChEMBL_2188304 (CHEMBL5100386)	Inhibition of CSF1R (unknown origin)
50015704	21	ChEMBL_2188305 (CHEMBL5100387)	Inhibition of FLT3 (unknown origin)
50015704	22	ChEMBL_2188306 (CHEMBL5100388)	Inhibition of KIT (unknown origin)
50015704	23	ChEMBL_2188307 (CHEMBL5100389)	Inhibition of PDGFRB (unknown origin)
50015704	24	ChEMBL_2188346 (CHEMBL5100428)	Inhibition of AXL (unknown origin)
50015704	25	ChEMBL_2188347 (CHEMBL5100429)	Inhibition of recombinant human full length MET using poly(Glu, Tyr) as substrate by alphascreen assay
50015704	26	ChEMBL_2188348 (CHEMBL5100430)	Inhibition of recombinant human full length KDR using poly(Glu, Tyr) as substrate by alphascreen assay
50015705	1	ChEMBL_2188354 (CHEMBL5100436)	Displacement of [3H]-LSD from human 5HT2B expressed in human HEK293 cell membrane incubated for 90 mins by radioligand binding assay
50015705	2	ChEMBL_2188355 (CHEMBL5100437)	Displacement of [3H]-LSD from human sigma1 receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assay
50015705	3	ChEMBL_2188356 (CHEMBL5100438)	Displacement of [3H]-DTG from human sigma2 receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assay
50015705	4	ChEMBL_2188357 (CHEMBL5100439)	Displacement of [3H]-N-methylspiperone from human D3 receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assay
50015705	5	ChEMBL_2188358 (CHEMBL5100440)	Displacement of [3H]-DAMGO from human MOR receptor expressed in human HEK293 cell membrane incubated for 90 mins by radioligand binding assay
50015705	6	ChEMBL_2188359 (CHEMBL5100441)	Displacement of [3H]-U69593 from rat KOR receptor expressed in human HEK293 cell membrane incubated for 90 mins by radioligand binding assay
50015705	7	ChEMBL_2188360 (CHEMBL5100442)	Displacement of [3H]-Win35428 from human DAT receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assay
50015705	8	ChEMBL_2188361 (CHEMBL5100443)	Inhibition of human TPSO receptor expressed in human HEK293T cell membrane incubated for 90 mins by radioligand binding assay
50015705	9	ChEMBL_2188372 (CHEMBL5100454)	Inhibition of CYP1A2 in human liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysis
50015705	10	ChEMBL_2188373 (CHEMBL5100455)	Inhibition of CYP2C9 in human liver Microsome using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis
50015705	11	ChEMBL_2188374 (CHEMBL5100456)	Inhibition of CYP2C19 in human liver Microsome using omeprazole as substrate in presence of NADPH by LC-MS/MS analysis
50015705	12	ChEMBL_2188375 (CHEMBL5100457)	Inhibition of CYP2D6 in human liver Microsome using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis
50015705	13	ChEMBL_2188376 (CHEMBL5100458)	Inhibition of CYP3A4 in human liver Microsome using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50015705	14	ChEMBL_2188377 (CHEMBL5100459)	Inhibition of CYP1A2 in rat liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysis
50015705	15	ChEMBL_2188382 (CHEMBL5100464)	Inhibition of CYP1A2 in mouse liver Microsome using phenacetin as substrate in presence of NADPH by LC-MS/MS analysis
50015705	16	ChEMBL_2188396 (CHEMBL5100478)	Inhibition of human ERG stably transfected in HEK293 cells incubated for 2 hrs by TAMRA fluorescence polarization assay
50015705	17	ChEMBL_2188412 (CHEMBL5100494)	Positive allosteric modulator activity in human wild type A3AR receptor stably expressed in human HEK293 cell membrane assessed as inhibition of radioligand [125I]-ABOPX orthosteric binding incubated for 18 hrs in presence of PSB603 by equilibrium radioligand binding assay
50015708	1	ChEMBL_2188418 (CHEMBL5100500)	Inhibition of human TASK-1 expressed in Xenopus laevis oocytes assessed as inhibition of channel current at +40mV holding potential by two-electrode voltage clamp assay
50015708	2	ChEMBL_2188419 (CHEMBL5100501)	Inhibition of human TASK-1 expressed in CHO cells assessed as inhibition of channel current at -30mV holding potential incubated for 5 mins by two-electrode voltage clamp assay
50015708	3	ChEMBL_2188420 (CHEMBL5100502)	Inhibition of human TASK-3 expressed in Xenopus laevis oocytes assessed as inhibition of channel current at +40mV holding potential by two-electrode voltage clamp assay
50015710	1	ChEMBL_2191875 (CHEMBL5104235)	Inhibition of TSPO receptor (unknown origin)
50015710	2	ChEMBL_2191876 (CHEMBL5104236)	Binding affinity to TSPO (unknown origin) relative to control
50015710	3	ChEMBL_2191878 (CHEMBL5104238)	Displacement of [3H]-PK11195 from TSPO receptor in human Leucocyte incubated for 30 mins by beta-counter analysis
50015710	4	ChEMBL_2191881 (CHEMBL5104241)	Displacement of [3H]-PK11195 from TSPO receptor in Sprague-Dawley rat brain incubated for 30 mins by auto-gamma scintillation counter analysis
50015710	5	ChEMBL_2191883 (CHEMBL5104243)	Binding affinity to TSPO in Sprague-Dawley rat brain
50015710	6	ChEMBL_2191886 (CHEMBL5104246)	Binding affinity to TSPO (unknown origin)
50015710	7	ChEMBL_2191888 (CHEMBL5104248)	Displacement of [3H]-flunitrazepam from TSPO receptor in Wistar rat brain without cerebellum incubated for 90 mins by liquid scintillation counter analysis
50015710	8	ChEMBL_2191890 (CHEMBL5104250)	Inhibition of TSPO (unknown origin) in mouse MA-10 cells assessed as increase in steroid steroidogenesis
50015710	9	ChEMBL_2191891 (CHEMBL5104251)	Displacement of [3H]-PK11195 from TSPO receptor in Wistar rat Kidney assessed as inhibition constant incubated for 90 mins by liquid scintillation counter analysis
50015710	10	ChEMBL_2191892 (CHEMBL5104252)	Displacement of [3H]-PK11195 from TSPO receptor in rat heart microsomes incubated for 15 mins by scintillation method
50015710	11	ChEMBL_2191893 (CHEMBL5104253)	Displacement of [3H]-Ro54864 from TSPO receptor in rat heart microsomes incubated for 45 mins by scintillation method
50015714	1	ChEMBL_2191895 (CHEMBL5104255)	Binding affinity to human CA1 assessed as inhibition constant by SDS-PAGE analysis
50015714	2	ChEMBL_2191896 (CHEMBL5104256)	Binding affinity to human CA2 assessed as inhibition constant by SDS-PAGE analysis
50015714	3	ChEMBL_2191901 (CHEMBL5104261)	Binding affinity to human CA1 assessed as inhibition constant using p-Nitrophenylacetate as substrate by SDS-PAGE analysis
50015714	4	ChEMBL_2191902 (CHEMBL5104262)	Binding affinity to human CA2 assessed as inhibition constant using p-Nitrophenylacetate as substrate by SDS-PAGE analysis
50015714	5	ChEMBL_2191904 (CHEMBL5104264)	Binding affinity to human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50015714	6	ChEMBL_2191905 (CHEMBL5104265)	Binding affinity to human recombinant CA2 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	7	ChEMBL_2191906 (CHEMBL5104266)	Binding affinity to human recombinant CA4 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	8	ChEMBL_2191907 (CHEMBL5104267)	Binding affinity to human recombinant CA1 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	9	ChEMBL_2191908 (CHEMBL5104268)	Binding affinity to human recombinant CA9 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	10	ChEMBL_2191913 (CHEMBL5104273)	Binding affinity to human recombinant CA12 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	11	ChEMBL_2191918 (CHEMBL5104278)	Inhibition of human CA1 by spectrophotometer based analysis
50015714	12	ChEMBL_2191919 (CHEMBL5104279)	Binding affinity to human CA1 assessed as inhibition constant by Lineweaver-Burk plot analysis
50015714	13	ChEMBL_2191920 (CHEMBL5104280)	Inhibition of human CA2 by spectrophotometer based analysis
50015714	14	ChEMBL_2191921 (CHEMBL5104281)	Binding affinity to human CA2 assessed as inhibition constant by Lineweaver-Burk plot analysis
50015714	15	ChEMBL_2191924 (CHEMBL5104284)	Binding affinity to human CA1 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	16	ChEMBL_2191925 (CHEMBL5104285)	Binding affinity to human CA2 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	17	ChEMBL_2191926 (CHEMBL5104286)	Binding affinity to human CA9 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	18	ChEMBL_2191927 (CHEMBL5104287)	Binding affinity to human CA12 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	19	ChEMBL_2191928 (CHEMBL5104288)	Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysis
50015714	20	ChEMBL_2191929 (CHEMBL5104289)	Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysis
50015714	21	ChEMBL_2191930 (CHEMBL5104290)	Binding affinity to human CA1 assessed as inhibition constant by esterase activity assay
50015714	22	ChEMBL_2191931 (CHEMBL5104291)	Binding affinity to human CA2 assessed as inhibition constant by esterase activity assay
50015714	23	ChEMBL_2191932 (CHEMBL5104292)	Binding affinity to human CA7 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	24	ChEMBL_2191933 (CHEMBL5104293)	Inhibition of human CA1 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assay
50015714	25	ChEMBL_2191934 (CHEMBL5104294)	Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assay
50015714	26	ChEMBL_2191935 (CHEMBL5104295)	Inhibition of human CA2 using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assay
50015714	27	ChEMBL_2191936 (CHEMBL5104296)	Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometry based esterase assay
50015714	28	ChEMBL_2191937 (CHEMBL5104297)	Inhibition of human recombinant CA1 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	29	ChEMBL_2191938 (CHEMBL5104298)	Inhibition of human recombinant CA2 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	30	ChEMBL_2191939 (CHEMBL5104299)	Inhibition of human recombinant CA9 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	31	ChEMBL_2191940 (CHEMBL5104300)	Inhibition of human recombinant CA12 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	32	ChEMBL_2191945 (CHEMBL5104305)	Binding affinity to human CA4 assessed as inhibition constant by stopped-flow CO2 hydration assay
50015714	33	ChEMBL_2191947 (CHEMBL5104307)	Binding affinity to human recombinant CA5A assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	34	ChEMBL_2191948 (CHEMBL5104308)	Inhibition of human CA1 using 4-nitrophenylacetate as substrate by spectrophotometrical analysis
50015714	35	ChEMBL_2191949 (CHEMBL5104309)	Inhibition of human CA2 using 4-nitrophenylacetate as substrate by spectrophotometrical analysis
50015714	36	ChEMBL_2191950 (CHEMBL5104310)	Binding affinity to human recombinant CA9 assessed as inhibition constant incubated for 6 hrs prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	37	ChEMBL_2191951 (CHEMBL5104311)	Binding affinity to human recombinant CA12 assessed as inhibition constant incubated for 6 hrs prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	38	ChEMBL_2191952 (CHEMBL5104312)	Binding affinity to human recombinant CA1 assessed as inhibition constant incubated for 6 hrs prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	39	ChEMBL_2191953 (CHEMBL5104313)	Binding affinity to human recombinant CA2 assessed as inhibition constant incubated for 6 hrs prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	40	ChEMBL_2191954 (CHEMBL5104314)	Binding affinity to human recombinant CA1 assessed as inhibition constant incubated for 10 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	41	ChEMBL_2191955 (CHEMBL5104315)	Binding affinity to human recombinant CA2 assessed as inhibition constant incubated for 10 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	42	ChEMBL_2191956 (CHEMBL5104316)	Binding affinity to human recombinant CA4 assessed as inhibition constant incubated for 10 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	43	ChEMBL_2191957 (CHEMBL5104317)	Binding affinity to human recombinant CA9 assessed as inhibition constant incubated for 10 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50015714	44	ChEMBL_2191961 (CHEMBL5104321)	Inhibition of human CA1 using 4-nitrophenylacetate as substrate incubated for 10 mins prior to testing by spectrophotometry based esterase assay
50015714	45	ChEMBL_2191962 (CHEMBL5104322)	Inhibition of human CA2 using 4-nitrophenylacetate as substrate incubated for 10 mins prior to testing by spectrophotometry based esterase assay
50015714	46	ChEMBL_2191963 (CHEMBL5104323)	Inhibition of human CA9 using 4-nitrophenylacetate as substrate incubated for 10 mins prior to testing by spectrophotometry based esterase assay
50015716	1	ChEMBL_2191982 (CHEMBL5104342)	Inhibition of c-MET (unknown origin) using FAM-labelled peptide as substrate incubated for 10 mins in presence of ATP by mobility shift assay
50015716	2	ChEMBL_2191986 (CHEMBL5104346)	Inhibition of human recombinant c-MET in presence of ATP by HTRF assay
50015716	3	ChEMBL_2191991 (CHEMBL5104351)	Inhibition of human full length PARP1 expressed in Escherichia coli rosetta (DE3) incubated for 20 mins by fluorescence analysis
50015716	4	ChEMBL_2191996 (CHEMBL5104356)	Inhibition of VEGFR2 (unknown origin) using ULight-4E-BP1 peptide as substrate incubated for 1 hr in presence of ATP by fluorescence based analysis
50015716	5	ChEMBL_2192004 (CHEMBL5104364)	Inhibition of COX-2 (unknown origin)
50015716	6	ChEMBL_2192005 (CHEMBL5104365)	Inhibition of COX-1 (unknown origin)
50015716	7	ChEMBL_2192013 (CHEMBL5104373)	Inhibition of VEGFR2 (unknown origin) using Poly (Glu, Tyr) substrate incubated for 40 mins in presence of ATP by ADP-Glo kinase assay
50015716	8	ChEMBL_2192016 (CHEMBL5104376)	Inhibition of VEGFR-2 (unknown origin)
50015716	9	ChEMBL_2192017 (CHEMBL5104377)	Inhibition of EGFR (unknown origin)
50015716	10	ChEMBL_2192018 (CHEMBL5104378)	Inhibition of PARP1 (unknown origin) by colorimetric assay
50015716	11	ChEMBL_2192019 (CHEMBL5104379)	Displacement of [125I]KX1 from PARP1 in human OVCAR-8 cells incubated for 1 hr by wizard gamma counter analysis
50015716	12	ChEMBL_2192020 (CHEMBL5104380)	Inhibition of PARP1 (unknown origin)
50015716	13	ChEMBL_2192021 (CHEMBL5104381)	Inhibition of PARP1 (unknown origin) incubated for 30 mins by ELISA assay
50015716	14	ChEMBL_2192022 (CHEMBL5104382)	Inhibition of PARP1 (unknown origin) by spectrophotometer analysis
50015716	15	ChEMBL_2192025 (CHEMBL5104385)	Inhibition of HDAC6 (unknown origin) measured after 15 mins by fluorescence based assay
50015716	16	ChEMBL_2192034 (CHEMBL5104394)	Inhibition of BTK (unknown origin) incubated for 30 mins in presence of ATP by fluorescence based analysis
50015716	17	ChEMBL_2192051 (CHEMBL5104411)	Inhibition of c-Met (unknown origin) incubated for 20 to 30 mins in presence of [33P]-ATP by scintillation counter analysis
50015716	18	ChEMBL_2192054 (CHEMBL5104414)	Inhibition of VEGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate measured after 5 mins in presence of ATP by ELISA method
50015717	1	ChEMBL_2192064 (CHEMBL5104424)	Inhibition of human DHODH
50015717	2	ChEMBL_2192069 (CHEMBL5104429)	Inhibition of CYP450 (unknown origin)
50015717	3	ChEMBL_2192070 (CHEMBL5104430)	Inhibition of human ERG
50015720	1	ChEMBL_2192222 (CHEMBL5104582)	Displacement of [3H]-DHT from recombinant androgen receptor (unknown origin) incubated for 3 hrs by liquid scintillation counter method
50015720	2	ChEMBL_2192258 (CHEMBL5104618)	Antagonist activity at PAFR (unknown origin)
50015720	3	ChEMBL_2192264 (CHEMBL5104624)	Inhibition of N-terminal His6-tagged full-length Mycobacterium tuberculosis H37Rv PTPB expressed in Escherichia coli BL21 (DH3) using fluorogenic phosphatase substrate by fluorescence based assay
50015720	4	ChEMBL_2192266 (CHEMBL5104626)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured for 15 mins by Ellman's method
50015720	5	ChEMBL_2192276 (CHEMBL5104636)	Inhibition of recombinant human PTP1B expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by absorbance based assay
50015720	6	ChEMBL_2192277 (CHEMBL5104637)	Inhibition of recombinant human TCPTP expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by absorbance based assay
50015720	7	ChEMBL_2192290 (CHEMBL5104650)	Inhibition of recombinant human SHP1 expressed in Escherichia coli using pnitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by absorbance based assay
50015720	8	ChEMBL_2192291 (CHEMBL5104651)	Inhibition of recombinant human CDC25B expressed in Escherichia coli using pnitrophenyl phosphate as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by absorbance based assay
50015722	1	ChEMBL_2192333 (CHEMBL5104693)	Inhibition of JAK3 (unknown origin)
50015722	2	ChEMBL_2192339 (CHEMBL5104699)	Inhibition of FGFR1 (unknown origin)
50015722	3	ChEMBL_2192340 (CHEMBL5104700)	Inhibition of FGFR2 (unknown origin)
50015722	4	ChEMBL_2192341 (CHEMBL5104701)	Inhibition of FGFR3 (unknown origin)
50015722	5	ChEMBL_2192342 (CHEMBL5104702)	Inhibition of FGFR4 (unknown origin)
50015722	6	ChEMBL_2192343 (CHEMBL5104703)	Inhibition of SRC (unknown origin)
50015722	7	ChEMBL_2192345 (CHEMBL5104705)	Inhibition of N-terminal GST-fused human FGFR4 (460 to 802 residues) expressed in baculovirus expression system by enzymatic method
50015722	8	ChEMBL_2192346 (CHEMBL5104706)	Inhibition of FLT3 (unknown origin) incubated for 90 mins in presence of ATP by enzymatic assay
50015722	9	ChEMBL_2192347 (CHEMBL5104707)	Inhibition of His/TEV-tagged FGFR4 (447 to 753 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using Lance ULight poly-GT as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by FRET-based assay
50015722	10	ChEMBL_2192348 (CHEMBL5104708)	Inhibition of His-tagged recombinant human FGFR1 (308 to 731 residues) expressed in baculovirus expression system using Lance ULight poly-GT as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by FRET-based assay
50015722	11	ChEMBL_2192349 (CHEMBL5104709)	Inhibition of human FGFR4 (447 to 753 residues) incubated for 30 mins in presence of ATP by ADP-Glo assay
50015722	12	ChEMBL_2192350 (CHEMBL5104710)	Inhibition of FLT3 D835Y mutant (unknown origin) incubated for 90 mins in presence of ATP by enzymatic assay
50015722	13	ChEMBL_2192351 (CHEMBL5104711)	Inhibition of 6xHis-tagged full-length wild-type AKT1 (unknown origin) expressed in baculovirus infected Sf9 insect cells by HTRF assay
50015722	14	ChEMBL_2192352 (CHEMBL5104712)	Inhibition of recombinant CDK12/Cyclin K (unknown origin) expresssed in baculovirus infected insect cells using peptide substrate incubated for 30 mins in presence of [32P]gamma-ATP by scintillation counter method
50015722	15	ChEMBL_2192353 (CHEMBL5104713)	Inhibition of recombinant CDK13/Cyclin K (unknown origin) expresssed in baculovirus infected insect cells using peptide substrate incubated for 30 mins in presence of [32P]gamma-ATP by scintillation counter method
50015722	16	ChEMBL_2192354 (CHEMBL5104714)	Inhibition of recombinant full length human CDK7/C-terminal His-tagged Cyclin H/N-terminal GST-tagged MAT1 expressed in baculovirus in Sf21 insect cells using peptide substrate incubated for 30 mins in presence of [32P]gamma-ATP by scintillation counter method
50015723	1	ChEMBL_2192360 (CHEMBL5104720)	Inhibition of BTK in human whole blood
50015723	2	ChEMBL_2192362 (CHEMBL5104722)	Binding affinity to HIV-1 protease assessed as inhibition constant incubated for 60 mins by mass spectrometric analysis
50015724	1	ChEMBL_2192370 (CHEMBL5104730)	Positive allosteric modulation of human D1 receptor in HEK293 cells assessed as increase in cyclic AMP production measured after 60 mins in presence of dopamine by HTRF assay
50015724	2	ChEMBL_2192373 (CHEMBL5104733)	Induction of CYP3A4 in human hepatocytes
50015724	3	ChEMBL_2192377 (CHEMBL5104737)	Positive allosteric modulation of mouse D1 receptor expressed in HEK293 cells assessed as increase in cyclic AMP production measured after 60 mins in presence of dopamine by HTRF assay
50015724	4	ChEMBL_2192380 (CHEMBL5104740)	Positive allosteric modulation of mouse D5 receptor expressed in HEK293 cells assessed as increase in cyclic AMP production measured after 60 mins in presence of dopamine by HTRF assay
50015724	5	ChEMBL_2192382 (CHEMBL5104742)	Agonist activity at mouse D5 receptor expressed in HEK293 cells assessed as increase in cyclic AMP production measured after 60 mins by HTRF assay
50015724	6	ChEMBL_2192402 (CHEMBL5104762)	Inhibition of human Cav2.2
50015724	7	ChEMBL_2192403 (CHEMBL5104763)	Agonist activity at human 5HT2b
50015727	1	ChEMBL_2192491 (CHEMBL5104851)	Inhibition of NanoLuc-tagged ABL1 wild type (unknown origin) expressed in HEK293 cells by NanoBRET TE assay
50015727	2	ChEMBL_2192495 (CHEMBL5104855)	Inhibition of AXL (unknown origin) using peptide substrate in presence of ATP by radiometric HotSpot assay
50015728	1	ChEMBL_2192536 (CHEMBL5104896)	Binding affinity to Staphylococcus aureus FtsZ assessed as dissociation constant by isothermal titration calorimetry
50015733	1	ChEMBL_2192545 (CHEMBL5104905)	Inhibition of BTK (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	2	ChEMBL_2192549 (CHEMBL5104909)	Inhibition of biotinylated-labeled BTK-selective probe binding to BTK in human Ramos assessed as target occupancy pretreated for 1 hr followed by probe addition measured for 18 hrs by AlphaScreen assay
50015733	3	ChEMBL_2192550 (CHEMBL5104910)	Inhibition of BLK (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	4	ChEMBL_2192551 (CHEMBL5104911)	Inhibition of BMX (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	5	ChEMBL_2192552 (CHEMBL5104912)	Inhibition of EGFR (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	6	ChEMBL_2192553 (CHEMBL5104913)	Inhibition of ERBB2 (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	7	ChEMBL_2192554 (CHEMBL5104914)	Inhibition of ERBB4 (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	8	ChEMBL_2192555 (CHEMBL5104915)	Inhibition of ITK (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	9	ChEMBL_2192556 (CHEMBL5104916)	Inhibition of JAK3 (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	10	ChEMBL_2192557 (CHEMBL5104917)	Inhibition of TEC (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	11	ChEMBL_2192558 (CHEMBL5104918)	Inhibition of RLK (unknown origin) using peptide substrate in presence of ATP by caliper electrophoresis method
50015733	12	ChEMBL_2192611 (CHEMBL5104971)	Inhibition of BTK (unknown origin) using peptide substrate in presence of ATP
50015733	13	ChEMBL_2192612 (CHEMBL5104972)	Inhibition of RLK (unknown origin) using peptide substrate in presence of ATP
50015733	14	ChEMBL_2192613 (CHEMBL5104973)	Inhibition of TEC (unknown origin) using peptide substrate in presence of ATP
50015733	15	ChEMBL_2192614 (CHEMBL5104974)	Inhibition of BMX (unknown origin) using peptide substrate in presence of ATP
50015733	16	ChEMBL_2192615 (CHEMBL5104975)	Inhibition of BLK (unknown origin) using peptide substrate in presence of ATP
50015734	1	ChEMBL_2192630 (CHEMBL5104990)	Inhibition of endogenous human CaV2.2 in human SH-SY5Y cells in presence of nifedipine by Calcium 4 dye based calcium influx fluorescence-imaging assay
50015735	1	ChEMBL_2192785 (CHEMBL5105145)	Inhibition of DPP-4 (unknown origin)
50015735	2	ChEMBL_2192786 (CHEMBL5105146)	Binding affinity to FAP (unknown origin) assessed as inhibition constant
50015735	3	ChEMBL_2192787 (CHEMBL5105147)	Binding affinity to DPP-4 (unknown origin) assessed as inhibition constant
50015735	4	ChEMBL_2192797 (CHEMBL5105157)	Inhibition of human Neutrophil elastase using MeO-SucAlaAla-Pro-Val-AMC as substrate measured for 30 mins by fluorescence microplate reader analysis
50015735	5	ChEMBL_2192800 (CHEMBL5105160)	Inhibition of His-tagged Mycobacterium tuberculosis H37Rv InhA expressed in Escherichia coli BL21 using 2-trans-dodecenoyl-CoA as substrate incubated for 30 mins in presence of NADH by fluorescence based assay
50015735	6	ChEMBL_2192821 (CHEMBL5105181)	Inhibition of PDE10A (unknown origin)
50015735	7	ChEMBL_2192822 (CHEMBL5105182)	Inhibition of CDK2 (unknown origin) using peptide substrate in presence of ATP
50015735	8	ChEMBL_2192854 (CHEMBL5105214)	Binding affinity to human CA-II assessed as inhibition constant preincubated for 15 mins by bromothymol blue staining based assay
50015735	9	ChEMBL_2192857 (CHEMBL5105217)	Binding affinity to human CA-I assessed as inhibition constant preincubated for 15 mins by bromothymol blue staining based assay
50015735	10	ChEMBL_2192874 (CHEMBL5105234)	Displacement of [3H]-cAMP from full-length recombinant human PDE4B2 catalytic domain by fluorescence polarisation assay
50015735	11	ChEMBL_2192876 (CHEMBL5105236)	Displacement of [3H]-cAMP from full-length recombinant human PDE4B1 by fluorescence polarisation assay
50015735	12	ChEMBL_2192877 (CHEMBL5105237)	Displacement of [3H]-cAMP from full-length recombinant human PDE4B2 by fluorescence polarisation assay
50015735	13	ChEMBL_2192878 (CHEMBL5105238)	Displacement of [3H]-cAMP from full-length recombinant human PDE4C1 by fluorescence polarisation assay
50015735	14	ChEMBL_2192879 (CHEMBL5105239)	Displacement of [3H]-cAMP from full-length recombinant human PDE4D7 by fluorescence polarisation assay
50015737	1	ChEMBL_2192887 (CHEMBL5105247)	Inhibition of beta catenin/recombinant GST tagged Tcf4 protein protein interaction in human HCT-116 cells
50015737	2	ChEMBL_2192888 (CHEMBL5105248)	Binding affinity to beta catenin ARD (134 to 671 residues) (unknown origin) assessed as dissociation constant
50015737	3	ChEMBL_2192889 (CHEMBL5105249)	Inhibition of beta catenin in HEK293 cells by TOPflash luciferase reporter assay
50015737	4	ChEMBL_2192897 (CHEMBL5105257)	Binding affinity to N-terminal FLAG tagged beta catenin (134 to 671 residues)/FLAG tagged BCL9 domain 2 (343 to 396 residues) (unknown origin) protein protein interaction assessed as inhibition constant
50015737	5	ChEMBL_2192898 (CHEMBL5105258)	Binding affinity to N-terminal FLAG tagged beta catenin alpha helix (H1 - 141 to 149 aa) of armadillo repeat domain (unknown origin) by STD/HSQC based NMR analysis
50015737	6	ChEMBL_2192899 (CHEMBL5105259)	Binding affinity to beta catenin ARD (142 to 686 residues) (unknown origin) assessed as inhibition constant by fluorescence polarisation assay
50015737	7	ChEMBL_2192900 (CHEMBL5105260)	Binding affinity to beta catenin ARD (142 to 686 residues) (unknown origin) assessed as dissociation constant by VP-ITC method
50015737	8	ChEMBL_2192903 (CHEMBL5105263)	Binding affinity to beta catenin (unknown origin) assessed as dissociation constant by VP-ITC method
50015737	9	ChEMBL_2192904 (CHEMBL5105264)	Inhibition of human recombinant GST tagged beta catenin ARD by Alphascreen assay
50015737	10	ChEMBL_2192905 (CHEMBL5105265)	Inhibition of beta catenin/Tcf4 (8 to 30 reisdues) (unknown origin) incubated for 3 hrs by fluorescence polarisation assay
50015737	11	ChEMBL_2192907 (CHEMBL5105267)	Inhibition of beta catenin/Tcf4 (unknown origin) protein protein interaction measured after 24 hrs by TOP-flash luciferase reporter gene assay
50015737	12	ChEMBL_2192910 (CHEMBL5105270)	Binding affinity to human PARG assessed as dissociation constant by SPR analysis
50015738	1	ChEMBL_2192934 (CHEMBL5105294)	Inhibition of ROMK (unknown origin) by Thallium Efflux assay
50015738	2	ChEMBL_2192948 (CHEMBL5105308)	Antagonist activity at pig cerebral cortex CCK2 human by Packbard-Cobra counter analysis
50015739	1	ChEMBL_2193039 (CHEMBL5105399)	Displacement of [33P]-2MeS-ADP from recombinant human P2Y12 transfected in HEK cell membrane assessed as inhibition constant incubated for 1 hr by competitive binding assay
50015739	2	ChEMBL_2193040 (CHEMBL5105400)	Displacement of [3H]-2MesADP from human P2Y12 in HEK cell membrane assessed as inhibition constant incubated for 1 hr by scintillation counter method
50015739	3	ChEMBL_2193041 (CHEMBL5105401)	Inhibition of P2Y12 (unknown origin)
50015739	4	ChEMBL_2193042 (CHEMBL5105402)	Binding affinity to P2Y12 (unknown origin) assessed as inhibition constant
50015739	5	ChEMBL_2193043 (CHEMBL5105403)	Displacement of [3H]-2MesADP from recombinant human P2Y12 transfected in HEK cell membrane assessed as inhibition constant
50015739	6	ChEMBL_2193044 (CHEMBL5105404)	Displacement of [3H]PSB-0413 from P2Y12 in human platelets assessed as dissociation constant
50015741	1	ChEMBL_2193065 (CHEMBL5105425)	Inhibition of recombinant human TG2 expressed in Escherichia coli assessed as inhibition constant using Cbz-Glu(gamma-p-nitrophenyl ester)Gly (AL5) as substrate by colorimetric assay
50015742	1	ChEMBL_2193070 (CHEMBL5105430)	Inhibition of human nAChR alpha9alpha10 expressed in Xenopus laevis oocytes holding potential of -70 mV by voltage-clamp based electrophysiological method
50015742	2	ChEMBL_2193071 (CHEMBL5105431)	Inhibition of rat nAChR alpha9alpha10 expressed in Xenopus laevis oocytes holding potential of -70 mV by two electrode voltage-clamp assay
50015743	1	ChEMBL_2193095 (CHEMBL5105455)	Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay
50015745	1	ChEMBL_2193112 (CHEMBL5105472)	Binding affinity to human Gal-7 assessed as dissociation constant by fluorescence polarization assay
50015746	1	ChEMBL_2193114 (CHEMBL5105474)	Inhibition of telomerase (unknown origin)
50015746	2	ChEMBL_2193133 (CHEMBL5105493)	Inhibition of telomerase (unknown origin) by TRAP-LIG assay
50015747	1	ChEMBL_2193155 (CHEMBL5105515)	Inhibition of porcine brain tubulin polymerization preincubated for 30 mins followed by GTP addition by absorbance based analysis
50015747	2	ChEMBL_2193185 (CHEMBL5105545)	Inhibition of SRD5A2 in HEK293 incubated for 60 mins by thin layer chromatography
50015747	3	ChEMBL_2193186 (CHEMBL5105546)	Inhibition of human prostate SRD5A1 incubated for 60 mins by scintillation counter
50015747	4	ChEMBL_2193187 (CHEMBL5105547)	Inhibition of rat liver microsomal SRD5A1 incubated for 60 mins by thin layer chromatography
50015747	5	ChEMBL_2193188 (CHEMBL5105548)	Inhibition of rat liver microsomal SRD5A2 incubated for 60 mins by thin layer chromatography
50015748	1	ChEMBL_2193271 (CHEMBL5105631)	Binding affinity towards human APJ receptor expressed in HEK293 cell membranes and measured by radioligand binding assay
50015748	2	ChEMBL_2193272 (CHEMBL5105632)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production and measured by FLIPR assay
50015748	3	ChEMBL_2193273 (CHEMBL5105633)	Agonist activity at human APJ receptor expressed in HEK293 cells assessed as compound stimulated inhibition of forskolin stimulated cAMP production incubated for 30 mins and measured by fluorescence based assay
50015749	1	ChEMBL_2193278 (CHEMBL5105638)	Inhibition of GOT1 (unknown origin)
50015749	2	ChEMBL_2193280 (CHEMBL5105640)	Binding affinity to GOT1 (unknown origin) assessed as dissociation constant by microscale thermophoresis assay
50015749	3	ChEMBL_2193281 (CHEMBL5105641)	Inhibition of GOT1 (unknown origin) using aspartic acid and alpha-ketoglutaric acid as substrates assessed as reduction in absorbance of NADH incubated for 20 mins in presence of MDH1 and NADH by HTS assay
50015749	4	ChEMBL_2193284 (CHEMBL5105644)	Noncompetitive inhibition of GOT1 (unknown origin) using aspartic acid as substrate assessed as inhibition constant by Michaelis-Menten equation based kinetic analysis
50015749	5	ChEMBL_2193285 (CHEMBL5105645)	Noncompetitive inhibition of GOT1 (unknown origin) using alpha-Ketoglutaric acid as substrate assessed as inhibition constant by Michaelis-Menten equation based kinetic analysis
50015749	6	ChEMBL_2193290 (CHEMBL5105650)	Inhibition of human recombinant GOT1 expressed in Escherichia coli BL21 star DE3 cells using aspartic acid and alpha-ketoglutaric acid as substrates incubated in presence of MDH1 and NADH
50015749	7	ChEMBL_2193291 (CHEMBL5105651)	Inhibition of human recombinant GOT1 using aspartic acid and alpha-ketoglutaric acid as substrates incubated in presence of MDH1 and NADH
50015749	8	ChEMBL_2193292 (CHEMBL5105652)	Inhibition of C-terminal His6-tagged human recombinant GOT1 expressed in Escherichia coli BL21 (DE3) cells using aspartic acid and alpha-ketoglutaric acid as substrates incubated in presence of MDH1 and NADH
50015752	1	ChEMBL_2193293 (CHEMBL5105653)	Inhibition of 11beta-HSD1 (unknown origin) using 3H-cortisone as substrate by scintillation proximity assay
50015752	2	ChEMBL_2193297 (CHEMBL5105657)	Inhibition of 11beta-HSD1 in human PBMC cells using 3H-cortisone as substrate assessed as conversion of cortisone to cortisol by ELISA
50015752	3	ChEMBL_2193298 (CHEMBL5105658)	Inhibition of 11beta-HSD1 (unknown origin)
50015753	1	ChEMBL_2193357 (CHEMBL5105717)	Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human SK-OV-3 cells expressing alphavbeta5 integrin receptor
50015753	2	ChEMBL_2193358 (CHEMBL5105718)	Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to fibrinogen in human HEK293 cells
50015753	3	ChEMBL_2193359 (CHEMBL5105719)	Inhibition of alphavbeta5 integrin receptor-mediated cell adhesion to vitronectin in human HT-29 cells
50015753	4	ChEMBL_2193361 (CHEMBL5105721)	Inhibition of alpha2bbeta3 integrin receptor expressed on human surface of platelets
50015753	5	ChEMBL_2193362 (CHEMBL5105722)	Inhibition of alpha5beta1 integrin receptor expressed on human surface of adipose tissue-derived stem cells
50015754	1	ChEMBL_2193363 (CHEMBL5105723)	Binding affinity to human beta-catenin (134 to 665 residues) expressed in Escherichia coli BL21 assessed as dissociation constant incubated for 45 mins by fluorescence polarisation assay
50015754	2	ChEMBL_2193364 (CHEMBL5105724)	Binding affinity to full-length recombinant beta-catenin (unknown origin) assessed as dissociation constant by fluorescence polarisation assay
50015754	3	ChEMBL_2193365 (CHEMBL5105725)	Binding affinity to human beta-catenin (129 to 780 residues) expressed in Escherichia coli Rosetta blue assessed as dissociation constant using fluorescent peptide as substrate incubated for 20 mins by fluorescence polarisation assay
50015754	4	ChEMBL_2193366 (CHEMBL5105726)	Binding affinity to beta-catenin (134 to 671 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by isothermal titration calorimetry
50015754	5	ChEMBL_2193367 (CHEMBL5105727)	Binding affinity to human beta-catenin (138 to 686 residues) assessed as dissociation constant by isothermal titration calorimetry
50015754	6	ChEMBL_2193368 (CHEMBL5105728)	Binding affinity to beta-catenin (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50015754	7	ChEMBL_2193370 (CHEMBL5105730)	Binding affinity to CM-5 sensor chip immobilized His-tagged beta-catenin (134 to 668 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by SPR analysis
50015754	8	ChEMBL_2193371 (CHEMBL5105731)	Inhibition of His-tagged beta-catenin (134 to 668 residues)/CM-5 sensor chip immobilized N-terminal GST-tagged TCF4 interaction (unknown origin) preincubated with beta-catenin for 15 mins followed by TCF4 addition measured after 60 secs by SPR analysis
50015754	9	ChEMBL_2193374 (CHEMBL5105734)	Binding affinity to full-length beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 1 hr by fluorescence polarisation assay
50015756	1	ChEMBL_2193376 (CHEMBL5105736)	Inhibition of TYK2 JH1 domain (unknown origin) measured in presence of 10 uM ATP
50015756	2	ChEMBL_2193380 (CHEMBL5105740)	Inhibition of TYK2 in human PBMC assessed as inhibition of IL-12-stimulated phosphorylation of STAT4 measured by immunoblotting method
50015756	3	ChEMBL_2193385 (CHEMBL5105745)	Inhibition of Jak2 in human PBMC assessed as inhibition of GM-CSF-stimulated phosphorylation of STAT5
50015756	4	ChEMBL_2193386 (CHEMBL5105746)	Inhibition of Jak1/Jak3 in human PBMC assessed as inhibition of IL2-stimulated phosphorylation of STAT5
50015756	5	ChEMBL_2193423 (CHEMBL5105783)	Inhibition of hERG measured by patchclamp assay
50015756	6	ChEMBL_2193424 (CHEMBL5105784)	Inhibition of CYP3A4 (unknown origin)
50015756	7	ChEMBL_2193425 (CHEMBL5105785)	Inhibition of CYP2D6 (unknown origin)
50015756	8	ChEMBL_2193426 (CHEMBL5105786)	Inhibition of CYP2C9 (unknown origin)
50015756	9	ChEMBL_2193427 (CHEMBL5105787)	Inhibition of CYP2C8 (unknown origin)
50015756	10	ChEMBL_2193428 (CHEMBL5105788)	Inhibition of CYP1A2 (unknown origin)
50015756	11	ChEMBL_2193429 (CHEMBL5105789)	Inhibition of CYP2A6 (unknown origin)
50015756	12	ChEMBL_2193430 (CHEMBL5105790)	Inhibition of CYP2B6 (unknown origin)
50015756	13	ChEMBL_2193431 (CHEMBL5105791)	Inhibition of CYP2C19 (unknown origin)
50015756	14	ChEMBL_2193432 (CHEMBL5105792)	Inhibition of CYP2E1 (unknown origin)
50015756	15	ChEMBL_2193433 (CHEMBL5105793)	Inhibition of CYP3A5 (unknown origin)
50015759	1	ChEMBL_2193440 (CHEMBL5105800)	Inhibition of AIMP2-DX2 in human A549 cells by luciferase assay
50015759	2	ChEMBL_2193441 (CHEMBL5105801)	Inhibition of AIMP2-DX2 in human A549 cells by nanoluciferase based assay
50015759	3	ChEMBL_2193449 (CHEMBL5105809)	Inhibition of CYP3A4 (unknown origin)
50015759	4	ChEMBL_2193450 (CHEMBL5105810)	Inhibition of CYP2D6 (unknown origin)
50015759	5	ChEMBL_2193451 (CHEMBL5105811)	Inhibition of CYP1A2 (unknown origin)
50015759	6	ChEMBL_2193452 (CHEMBL5105812)	Inhibition of CYP2C9 (unknown origin)
50015759	7	ChEMBL_2193453 (CHEMBL5105813)	Inhibition of CYP2C19 (unknown origin)
50015760	1	ChEMBL_2193456 (CHEMBL5105816)	Inhibition of human CRAF using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assay
50015760	2	ChEMBL_2193457 (CHEMBL5105817)	Inhibition of wild type human BRAF using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assay
50015760	3	ChEMBL_2193458 (CHEMBL5105818)	Inhibition of human BRAF V600E mutant using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assay
50015760	4	ChEMBL_2193467 (CHEMBL5105827)	Inhibition of human MEK1
50015760	5	ChEMBL_2193468 (CHEMBL5105828)	Inhibition of human MEK2
50015760	6	ChEMBL_2193469 (CHEMBL5105829)	Inhibition of Xenopus laevis Aurora Kinase A
50015760	7	ChEMBL_2193470 (CHEMBL5105830)	Inhibition of Xenopus laevis Aurora Kinase B
50015761	1	ChEMBL_2193494 (CHEMBL5105854)	Inhibition of mouse Nav1.7 by PatchXpress assay
50015761	2	ChEMBL_2193495 (CHEMBL5105855)	Inhibition of CYP2C9 (unknown origin)
50015761	3	ChEMBL_2193496 (CHEMBL5105856)	Inhibition of human Nav1.5 at -50 mV holding potential by PatchXpress assay
50015761	4	ChEMBL_2193497 (CHEMBL5105857)	Time dependent inhibition of CYP2D6 (unknown origin) incubated for 30 mins
50015761	5	ChEMBL_2193498 (CHEMBL5105858)	Time dependent inhibition of CYP2D6 (unknown origin) preincubated for 30 mins followed by substrate addition
50015761	6	ChEMBL_2193501 (CHEMBL5105861)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate
50015761	7	ChEMBL_2193505 (CHEMBL5105865)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 30 mins
50015761	8	ChEMBL_2193506 (CHEMBL5105866)	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition
50015761	9	ChEMBL_2193507 (CHEMBL5105867)	Inhibition of human Nav1.7 by PatchXpress assay
50015762	1	ChEMBL_2193517 (CHEMBL5105877)	Inhibition of SRSF6 (unknown origin)
50015762	2	ChEMBL_2193518 (CHEMBL5105878)	Inhibition of CLK2 (unknown origin)
50015762	3	ChEMBL_2193519 (CHEMBL5105879)	Inhibition of CLK2 (unknown origin) by Z'-LYTE kinase assay
50015762	4	ChEMBL_2193520 (CHEMBL5105880)	Inhibition of CLK3 (unknown origin) by Z'-LYTE kinase assay
50015762	5	ChEMBL_2193521 (CHEMBL5105881)	Inhibition of human full length recombinant CLK1 expressed in baculovirus by measuring substrate phosphorylation
50015762	6	ChEMBL_2193522 (CHEMBL5105882)	Inhibition of human full length recombinant CLK2 expressed in baculovirus by measuring substrate phosphorylation
50015762	7	ChEMBL_2193523 (CHEMBL5105883)	Inhibition of human full length recombinant CLK3 expressed in baculovirus by measuring substrate phosphorylation
50015762	8	ChEMBL_2193524 (CHEMBL5105884)	Binding affinity to CLK2 (unknown origin) assessed as dissociation constant
50015762	9	ChEMBL_2193525 (CHEMBL5105885)	Inhibition of TTK (unknown origin)
50015762	10	ChEMBL_2193526 (CHEMBL5105886)	Inhibition of SRPK1 (unknown origin) using SRSF1 Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH) as substrate incubated for 10 mins in presence of ATP by Kinase-Glo assay
50015762	11	ChEMBL_2193527 (CHEMBL5105887)	Inhibition of SRPK2 (unknown origin) incubated for 10 mins in presence of ATP by Kinase-Glo assay
50015762	12	ChEMBL_2193528 (CHEMBL5105888)	Inhibition of SRPK1 (unknown origin) incubated for 1 hr in presence of ATP by fluorescent plate reader method
50015762	13	ChEMBL_2193529 (CHEMBL5105889)	Inhibition of SRPK1 (unknown origin)
50015762	14	ChEMBL_2193530 (CHEMBL5105890)	Inhibition of SRPK2 (unknown origin) incubated for 1 hr in presence of ATP by fluorescent plate reader method
50015762	15	ChEMBL_2193531 (CHEMBL5105891)	Inhibition of MAOA (unknown origin)
50015762	16	ChEMBL_2193532 (CHEMBL5105892)	Inhibition of DYRK1A (unknown origin)
50015762	17	ChEMBL_2193533 (CHEMBL5105893)	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant
50015762	18	ChEMBL_2193534 (CHEMBL5105894)	Inhibition of CDK5 (unknown origin)
50015762	19	ChEMBL_2193535 (CHEMBL5105895)	Inhibition of GSK3 (unknown origin)
50015763	1	ChEMBL_2193539 (CHEMBL5105899)	Inhibition of IRAK4 (unknown origin)
50015764	1	ChEMBL_2193554 (CHEMBL5105914)	Modulation of capsid assembly in HBV infected in human HePAD38 cells assessed as inhibition of viral DNA replication measured after 96 hrs by qPCR analysis
50015764	2	ChEMBL_2193555 (CHEMBL5105915)	Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	3	ChEMBL_2193557 (CHEMBL5105917)	Modulation of capsid assembly in HBV infected in human HePAD38 cells assessed as inhibition of viral DNA replication in presence of 40% normal human serum measured after 96 hrs by qPCR analysis
50015764	4	ChEMBL_2193560 (CHEMBL5105920)	Modulation of capsid assembly in HBV genotype A infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	5	ChEMBL_2193561 (CHEMBL5105921)	Modulation of capsid assembly in HBV genotype B infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	6	ChEMBL_2193562 (CHEMBL5105922)	Modulation of capsid assembly in HBV genotype C infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	7	ChEMBL_2193563 (CHEMBL5105923)	Modulation of capsid assembly in HBV genotype D infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	8	ChEMBL_2193564 (CHEMBL5105924)	Modulation of capsid assembly in HBV genotype E infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50015764	9	ChEMBL_2193575 (CHEMBL5105935)	Inhibition of CYP1A2 (unknown origin)
50015764	10	ChEMBL_2193576 (CHEMBL5105936)	Inhibition of CYP2D6 (unknown origin)
50015764	11	ChEMBL_2193577 (CHEMBL5105937)	Inhibition of CYP3A4 (unknown origin)
50015764	12	ChEMBL_2193594 (CHEMBL5105954)	Inhibition of hERG
50015765	1	ChEMBL_2193599 (CHEMBL5105959)	Displacement of fluorescent labeled 17beta-estradiol from human ERbeta ligand binding domain by TR-FRET assay
50015765	2	ChEMBL_2193600 (CHEMBL5105960)	Inhibition of coactivator binding to human ERbeta ligand binding domain by TR-FRET assay
50015765	7	ChEMBL_2193607 (CHEMBL5105967)	Inhibition of CYP2C9 (unknown origin)
50015766	1	ChEMBL_2193611 (CHEMBL5105971)	Inhibition of JAK1 (unknown origin)
50015766	2	ChEMBL_2193612 (CHEMBL5105972)	Inhibition of JAK2 (unknown origin)
50015766	3	ChEMBL_2193613 (CHEMBL5105973)	Inhibition of JAK3 (unknown origin)
50015770	1	ChEMBL_2193619 (CHEMBL5105979)	Inhibition of CLK1 (unknown origin) by Z'-LYTE assay
50015770	2	ChEMBL_2193620 (CHEMBL5105980)	Inhibition of CLK2 (unknown origin) by Z'-LYTE assay
50015770	3	ChEMBL_2193621 (CHEMBL5105981)	Inhibition of CLK3 (unknown origin) by Z'-LYTE assay
50015770	4	ChEMBL_2193622 (CHEMBL5105982)	Inhibition of CLK4 (unknown origin) by Z'-LYTE assay
50015770	5	ChEMBL_2193625 (CHEMBL5105985)	Inhibition of GST-tagged recombinant mouse CLK4 expressed in Escherichia coli using RSPSYGRSRSRSRSRSRSRSRSNSRSRSY as substrate in presence of [gamma-32P]ATP by a liquid scintillation counter method
50015770	6	ChEMBL_2193626 (CHEMBL5105986)	Binding affinity to CLK1 (unknown origin) assessed as dissociation constant
50015770	7	ChEMBL_2193627 (CHEMBL5105987)	Binding affinity to CLK2 (unknown origin) assessed as dissociation constant
50015770	8	ChEMBL_2193628 (CHEMBL5105988)	Binding affinity to CLK3 (unknown origin) assessed as dissociation constant
50015770	9	ChEMBL_2193629 (CHEMBL5105989)	Binding affinity to CLK4 (unknown origin) assessed as dissociation constant
50015770	10	ChEMBL_2193630 (CHEMBL5105990)	Inhibition of human CLK1 Long (148 to 484 residues) expressed in Escherichia coli BL21 (DE3) Turner incubated for 60 mins in presence of [gamma-32P]ATP by radiometric kinase assay
50015770	11	ChEMBL_2193631 (CHEMBL5105991)	Inhibition of human CLK2 Long (130 to 496 residues) expressed in Escherichia coli BL21 (DE3) Turner using GSK3 as substrate incubated for 60 mins in presence of [gamma-32P]ATP by radiometric kinase assay
50015770	12	ChEMBL_2193632 (CHEMBL5105992)	Inhibition of human CLK3-4 (275 to 632 residues) expressed in Escherichia coli BL21 (DE3) Turner using S6-peptide as substrate incubated for 60 mins in presence of [gamma-32P]ATP by radiometric kinase assay
50015770	13	ChEMBL_2193633 (CHEMBL5105993)	Inhibition of human CLK4 (146 to 480 residues) expressed in Escherichia coli BL21 (DE3) Turner using MBP as substrate incubated for 60 mins in presence of [gamma-32P]ATP by radiometric kinase assay
50015770	14	ChEMBL_2193634 (CHEMBL5105994)	Inhibition of CLK4 (unknown origin)
50015770	15	ChEMBL_2193635 (CHEMBL5105995)	Inhibition of CLK1 (unknown origin)
50015770	16	ChEMBL_2193637 (CHEMBL5105997)	Inhibition of DYRK1A (unknown origin)
50015770	17	ChEMBL_2193638 (CHEMBL5105998)	Inhibition of DYRK1B (unknown origin)
50015770	18	ChEMBL_2193639 (CHEMBL5105999)	Inhibition of DYRK2 (unknown origin)
50015770	19	ChEMBL_2193640 (CHEMBL5106000)	Inhibition of DYRK4 (unknown origin)
50015770	20	ChEMBL_2193642 (CHEMBL5106002)	Inhibition of CLK4 (unknown origin) assessed as reduction in SRSF10 phosphorylation
50015770	21	ChEMBL_2193643 (CHEMBL5106003)	Inhibition of CLK4 (unknown origin) assessed as reduction in SRSF1 phosphorylation
50015770	22	ChEMBL_2193644 (CHEMBL5106004)	Inhibition of CLK1 (unknown origin) assessed as reduction in SRSF10 phosphorylation
50015771	1	ChEMBL_2193666 (CHEMBL5106026)	Binding affinity to PPM1B (unknown origin) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrate by absorbance based analysis
50015777	1	ChEMBL_2193693 (CHEMBL5106053)	Inhibition of recombinant human TDP1 measured by real-time oligonucleotide biosensor assay
50015778	1	ChEMBL_2193700 (CHEMBL5106060)	Inhibition of Clostridium botulinum BoNT/A light chain (1 to 424 residues) using SNAPtide as substrate by FRET assay
50015778	2	ChEMBL_2193701 (CHEMBL5106061)	Inhibition of Clostridium botulinum BoNT/A light chain
50015779	1	ChEMBL_2193712 (CHEMBL5106072)	Inhibition of full-length human Pim-1 using RSRHSSYPAG as substrate incubated in presence of [gamma33P]ATP
50015779	2	ChEMBL_2193716 (CHEMBL5106076)	Inhibition of full-length human Pim-3 using RSRHSSYPAG as substrate incubated in presence of [gamma33P]ATP
50015780	1	ChEMBL_2193720 (CHEMBL5106080)	Inhibition of recombinant Escherichia coli DdlB using D-alanine as substrate incubated for 20 mins and measured by malachite green based colorimetric assay
50015780	2	ChEMBL_2193722 (CHEMBL5106082)	Inhibition of recombinant Escherichia coli MurA using UDP-N-acetylglucosamine as substrate incubated for 15 mins and measured by malachite green based colorimetric assay
50015783	1	ChEMBL_2193730 (CHEMBL5106090)	Inhibition of Escherichia coli DNA gyrase supercoiling activity using pBR322 as substrate incubated for 30 mins measured by gel-based assay
50015788	1	ChEMBL_2193736 (CHEMBL5106096)	Inhibition of Zymomonas mobilis pyruvate decarboxylase incubated for 3 mins using pyruvate as substrate in presence of TPP by spectrophotometric analysis
50015789	1	ChEMBL_2193755 (CHEMBL5106115)	Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cell membrane and measured after 0.5 hrs by radioligand displacement assay
50015789	2	ChEMBL_2193756 (CHEMBL5106116)	Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cell membrane preincubated for 4 hrs followed by [3H]PSB-603 addition and measured after 0.5 hrs by radioligand displacement assay
50015790	1	ChEMBL_2193766 (CHEMBL5106126)	Inhibition of human serum recombinant AChE using acetylthiocholine iodide as a substrate incubated for 20 mins by DTNB reagent based Ellman's method
50015790	2	ChEMBL_2193767 (CHEMBL5106127)	Inhibition of human serum recombinant BChE using butyrylthiocholine iodide as a substrate incubated for 20 mins by DTNB reagent based Ellman's method
50015790	3	ChEMBL_2193769 (CHEMBL5106129)	Inhibition of human recombinant MAO-A assessed as reduction in 4-hydroxyquinoline level using kynuramine as a substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis
50015790	4	ChEMBL_2193771 (CHEMBL5106131)	Inhibition of human recombinant MAO-B assessed as reduction in 4-hydroxyquinoline level using kynuramine as a substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis
50015793	1	ChEMBL_2193773 (CHEMBL5106133)	Inhibition of human MAO-A assessed as inhibition of H2O2 production using p-tyramine as substrate
50015793	2	ChEMBL_2193774 (CHEMBL5106134)	Inhibition of human MAO-B assessed as inhibition of H2O2 production using p-tyramine as substrate
50015793	3	ChEMBL_2193777 (CHEMBL5106137)	Mixed competitive inhibition of human MAO-B using p-tyramine as substrate by Lineweaver-Burk plot analysis
50015795	1	ChEMBL_2193804 (CHEMBL5106164)	Inhibition of human mPGES-1 assessed as reduction in PGE2 production
50015798	1	ChEMBL_2193817 (CHEMBL5106177)	Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate preincubated for 15 mins followed substrate addition and assessed as inhibition of PGE2 production after 30 mins by enzyme immuno-assay (EIA)
50015798	2	ChEMBL_2193818 (CHEMBL5106178)	Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production and measured after 24 hrs by enzyme immuno-assay (EIA)
50015799	1	ChEMBL_2193866 (CHEMBL5106226)	Inhibition of BTK (unknown origin) measured by ADP-Glo assay
50015799	2	ChEMBL_2193895 (CHEMBL5106255)	Inhibition of BTK in human TMD8 cells assessed as inhibition of BTK autophosphorylation at Tyr223 measured by Western blot analysis
50015799	3	ChEMBL_2193908 (CHEMBL5106268)	Inhibition of hERG
50015800	1	ChEMBL_2193934 (CHEMBL5106294)	Inhibition of human Cathepsin K
50015800	2	ChEMBL_2193935 (CHEMBL5106295)	Inhibition of humanized-rabbit Cathepsin K
50015801	1	ChEMBL_2193961 (CHEMBL5106321)	Negative allosteric modulation of rat mGlu7 in HEK cells expressing Galpha15 assessed as inhibition of L-AP4-induced response measured by calcium mobilization assay
50015801	2	ChEMBL_2193963 (CHEMBL5106323)	Negative allosteric modulation of mGlu7 (unknown origin) in cells expressing G protein-regulated inwardly rectifying potassium channels (GIRKs) assessed as inhibition of L-AP4-induced response measured by thallium flux assay
50015803	1	ChEMBL_2194014 (CHEMBL5106374)	Inhibition of N-terminal His6-tagged recombinant human CSF1R (542 to 919 residues) measured by spectrophotometric analysis
50015803	2	ChEMBL_2194015 (CHEMBL5106375)	Inhibition of His-tagged recombinant human FLT3 (564 to 958 residues) measured by spectrophotometric analysis
50015803	3	ChEMBL_2194016 (CHEMBL5106376)	Inhibition of N-terminal GST-tagged PDGFRalpha (unknown origin) (550 to 1089 residues) measured by spectrophotometric analysis
50015803	4	ChEMBL_2194017 (CHEMBL5106377)	Inhibition of N-terminal GST-tagged PDGFRbeta (unknown origin) (557 to 1106 residues) measured by spectrophotometric analysis
50015803	5	ChEMBL_2194019 (CHEMBL5106379)	Inhibition of VEGFR2 (unknown origin)
50015803	6	ChEMBL_2194026 (CHEMBL5106386)	Inhibition of CSF1R in CSF1-stimulated human THP-1 cells assessed as inhibition of CSF1R phosphorylation measured by ELISA assay
50015803	7	ChEMBL_2194054 (CHEMBL5106414)	Inhibition of human CYP3A4
50015803	8	ChEMBL_2194055 (CHEMBL5106415)	Inhibition of human CYP2C19
50015803	9	ChEMBL_2194056 (CHEMBL5106416)	Inhibition of human CYP2D6
50015803	10	ChEMBL_2194057 (CHEMBL5106417)	Inhibition of human CYP2C9
50015803	11	ChEMBL_2194058 (CHEMBL5106418)	Inhibition of human CYP1A2
50015805	1	ChEMBL_2194079 (CHEMBL5106439)	Inhibition of N-terminal His6-tagged recombinant human CSF1R (542 to 919 residues) measured by spectrophotometric analysis
50015805	2	ChEMBL_2194080 (CHEMBL5106440)	Inhibition of His-tagged recombinant human FLT3 (564 to 958 residues) measured by spectrophotometric analysis
50015805	3	ChEMBL_2194081 (CHEMBL5106441)	Inhibition of N-terminal GST-tagged PDGFRalpha (unknown origin) (550 to 1089 residues) measured by spectrophotometric analysis
50015805	4	ChEMBL_2194082 (CHEMBL5106442)	Inhibition of N-terminal GST-tagged PDGFRbeta (unknown origin) (557 to 1106 residues) measured by spectrophotometric analysis
50015805	5	ChEMBL_2194084 (CHEMBL5106444)	Inhibition of VEGFR2 (unknown origin) measured by spectrophotometric analysis
50015805	6	ChEMBL_2194085 (CHEMBL5106445)	Inhibition of N-terminal His-Glu-TEV-tagged MET (unknown origin) (1050 to 1360 residues) measured by spectrophotometric analysis
50015805	7	ChEMBL_2194110 (CHEMBL5106470)	Inhibition of human CYP3A4
50015805	8	ChEMBL_2194111 (CHEMBL5106471)	Inhibition of human CYP2C19
50015805	9	ChEMBL_2194112 (CHEMBL5106472)	Inhibition of human CYP2D6
50015805	10	ChEMBL_2194113 (CHEMBL5106473)	Inhibition of human CYP2C9
50015805	11	ChEMBL_2194114 (CHEMBL5106474)	Inhibition of human CYP1A2
50015806	1	ChEMBL_2194152 (CHEMBL5106512)	Inhibition of recombinant human SSAO
50015806	2	ChEMBL_2194153 (CHEMBL5106513)	Inhibition of human recombinant MAO-B
50015806	3	ChEMBL_2194154 (CHEMBL5106514)	Inhibition of human recombinant MAO-A
50015806	4	ChEMBL_2194155 (CHEMBL5106515)	Inhibition of human recombinant DAO
50015806	5	ChEMBL_2194158 (CHEMBL5106518)	Inhibition of SSAO in HMEC cells
50015806	6	ChEMBL_2194159 (CHEMBL5106519)	Inhibition of rat SSAO
50015806	7	ChEMBL_2194160 (CHEMBL5106520)	Inhibition of mouse muscle MAO-B
50015806	8	ChEMBL_2194161 (CHEMBL5106521)	Inhibition of recombinant human LOXL-2
50015806	9	ChEMBL_2194162 (CHEMBL5106522)	Inhibition of bovine aorta LOX
50015806	10	ChEMBL_2194163 (CHEMBL5106523)	Inhibition of LSD1 (unknown origin)
50015806	11	ChEMBL_2194171 (CHEMBL5106531)	Inhibition of CYP1A2 (unknown origin)
50015806	12	ChEMBL_2194172 (CHEMBL5106532)	Inhibition of CYP2C9 (unknown origin)
50015806	13	ChEMBL_2194173 (CHEMBL5106533)	Inhibition of CYP2C19 (unknown origin)
50015806	14	ChEMBL_2194174 (CHEMBL5106534)	Inhibition of CYP2D6 (unknown origin)
50015806	15	ChEMBL_2194175 (CHEMBL5106535)	Inhibition of CYP3A4 (unknown origin)
50015806	16	ChEMBL_2194178 (CHEMBL5106538)	Time dependent inhibition of human recombinant MAO-B assessed as inhibition constant
50015806	17	ChEMBL_2194179 (CHEMBL5106539)	Time dependent inhibition of human recombinant SSAO assessed as inhibition constant
50015808	1	ChEMBL_2194198 (CHEMBL5106558)	Displacement of (+)-[3H]pentazocine from sigma-1 receptor in Sprague-Dawley rat cerebral membrane incubated for 90 mins by liquid scintillation counter analysis
50015808	2	ChEMBL_2194199 (CHEMBL5106559)	Displacement of [3H]DTG from sigma-2 receptor in Sprague-Dawley rat liver membrane incubated for 90 mins in presence of by liquid scintillation counter analysis (+)-pentazocine by liquid scintillation counter analysis
50015809	1	ChEMBL_2194217 (CHEMBL5106577)	Inhibition of MCL-1 (unknown origin) by fluorescence polarization competition assay
50015809	2	ChEMBL_2194218 (CHEMBL5106578)	Inhibition of BCL-2 (unknown origin) by fluorescence polarization competition assay
50015809	3	ChEMBL_2194219 (CHEMBL5106579)	Inhibition of BCL-xL (unknown origin) by fluorescence polarization competition assay
50015810	1	ChEMBL_2194222 (CHEMBL5106582)	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293T cell membrane incubated for 1 hr by MicroBeta scintillation counting method
50015810	2	ChEMBL_2194223 (CHEMBL5106583)	Displacement of [3H]N-methylspiperone from human D3R receptor expressed in HEK293T cell membrane incubated for 1 hr by MicroBeta scintillation counting method
50015810	3	ChEMBL_2194224 (CHEMBL5106584)	Displacement of [3H]N-methylspiperone from human D4.4 receptor expressed in HEK293T cell membrane incubated for 1 hr by MicroBeta scintillation counting method
50015810	4	ChEMBL_2194227 (CHEMBL5106587)	Antagonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as inhibition of dopamine-induced G0 protein activation pretreated for 10 mins followed by dopamine addition and measured after 2.5 mins by BRET assay
50015810	5	ChEMBL_2194228 (CHEMBL5106588)	Antagonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as inhibition of dopamine-induced Gi protein activation pretreated for 10 mins followed by dopamine addition and measured after 2.5 mins by BRET assay
50015810	6	ChEMBL_2194229 (CHEMBL5106589)	Antagonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as inhibition of dopamine-induced beta arrestin-2 recruitment pretreated for 10 mins followed by dopamine addition and measured after 2.5 mins by BRET assay
50015810	7	ChEMBL_2194239 (CHEMBL5106599)	Displacement of [3H]7-OH-DPAT from human D4.4 receptor expressed in HEK293T cell membrane incubated for 1.5 hrs by MicroBeta scintillation counting method
50015810	8	ChEMBL_2194240 (CHEMBL5106600)	Agonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as G0 protein activation measured after 2.5 mins by BRET assay
50015810	9	ChEMBL_2194241 (CHEMBL5106601)	Agonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as Gi protein activation measured after 2.5 mins by BRET assay
50015810	10	ChEMBL_2194242 (CHEMBL5106602)	Agonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as beta arrestin-2 recruitment measured after 2.5 mins by BRET assay
50015810	11	ChEMBL_2194246 (CHEMBL5106606)	Partial agonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as G0 protein activation measured after 2.5 mins by BRET assay
50015810	12	ChEMBL_2194248 (CHEMBL5106608)	Partial agonist activity at D4R (unknown origin) expressed in human HEK293T cells assessed as Gi protein activation measured after 2.5 mins by BRET assay
50015811	1	ChEMBL_2194250 (CHEMBL5106610)	Inhibition of human caspase-3 using Ac-Asp-Glu-Val-Asp-pNA as substrate incubated for 60 mins by FRET assay
50015811	2	ChEMBL_2194251 (CHEMBL5106611)	Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorescent substrate preincubated for 10 mins followed by substrate addition and measured every 10 sec for 10 mins by FRET assay
50015811	3	ChEMBL_2194252 (CHEMBL5106612)	Inhibition of human Cathepsin L using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
50015811	4	ChEMBL_2194253 (CHEMBL5106613)	Inhibition of human Cathepsin F using Z-Phe-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
50015811	5	ChEMBL_2194254 (CHEMBL5106614)	Inhibition of human Cathepsin K using Ac-LR-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
50015811	6	ChEMBL_2194255 (CHEMBL5106615)	Inhibition of human Cathepsin B using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 60 mins by FRET assay
50015811	7	ChEMBL_2194256 (CHEMBL5106616)	Inhibition of SARS-CoV-2 main protease
50015811	8	ChEMBL_2194259 (CHEMBL5106619)	Inhibition of recombinant 6 his tagged SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQYSGFRKM-E as fluorogenic substrate incubated for 15 mins by FRET based assay
50015814	1	ChEMBL_2194342 (CHEMBL5106702)	Binding affinity to GID4 (unknown origin) assessed as dissociation constant
50015814	2	ChEMBL_2194344 (CHEMBL5106704)	Inhibition of GID4 (124 to 289) (unknown origin) expressed in Escherichia coli BL21(DE3) using PGLWKS-FITC peptide by competitive-fluorescence polarization binding assay
50015814	3	ChEMBL_2194345 (CHEMBL5106705)	Binding affinity to GID4 (124 to 289) (unknown origin) assessed as dissociation constant measured by isothermal titration calorimetry assay
50015814	4	ChEMBL_2194348 (CHEMBL5106708)	Binding affinity to GID4 (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50015815	1	ChEMBL_2194402 (CHEMBL5106762)	Inhibition of recombinant human CA1 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015815	2	ChEMBL_2194403 (CHEMBL5106763)	Inhibition of recombinant human CA2 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015815	3	ChEMBL_2194404 (CHEMBL5106764)	Inhibition of recombinant human CA4 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015815	4	ChEMBL_2194405 (CHEMBL5106765)	Inhibition of recombinant human CA9 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015815	5	ChEMBL_2194406 (CHEMBL5106766)	Inhibition of recombinant human CA12 pre-incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50015816	1	ChEMBL_2194454 (CHEMBL5106814)	Inhibition of CDK8 (unknown origin) assessed as inhibition rate
50015816	2	ChEMBL_2194460 (CHEMBL5106820)	Inhibition of CDK6 (unknown origin) assessed as inhibition rate
50015816	3	ChEMBL_2194461 (CHEMBL5106821)	Inhibition of CDK7 (unknown origin) assessed as inhibition rate
50015817	1	ChEMBL_2194505 (CHEMBL5106865)	Inhibition of human recombinant MMP-7 (Leu18 to Lys267 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	2	ChEMBL_2194506 (CHEMBL5106866)	Inhibition of human recombinant MMP-2 ( Ile34 to Cys660 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	3	ChEMBL_2194507 (CHEMBL5106867)	Inhibition of human recombinant MMP-1 (Phe20 to Asn469 residue) using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	4	ChEMBL_2194508 (CHEMBL5106868)	Inhibition of human recombinant MMP-3 (Tyr18 to Cys477 residues ) using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	5	ChEMBL_2194509 (CHEMBL5106869)	Inhibition of human recombinant MMP-8 (Phe21 to Gly467 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	6	ChEMBL_2194510 (CHEMBL5106870)	Inhibition of human recombinant MMP-9 (Ala20 to Asp707 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	7	ChEMBL_2194511 (CHEMBL5106871)	Inhibition of human recombinant MMP-12 (Leu17 to Cys470 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	8	ChEMBL_2194512 (CHEMBL5106872)	Inhibition of human recombinant MMP-13 (Leu20 to Cys471 residues) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015817	9	ChEMBL_2194513 (CHEMBL5106873)	Inhibition of human recombinant C-terminal 10-His tagged MMP-14 ( Ala21 to Gly284 residues) using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as fluorogenic substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50015821	1	ChEMBL_2194525 (CHEMBL5106885)	Inhibition of UCHL1 (unknown origin) using Ub-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured for 1 hr by fluorescence based analysis
50015821	2	ChEMBL_2194526 (CHEMBL5106886)	Inhibition of UCHL1 (unknown origin) using Ub-Rho-Morpholine as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured for 1 hr by fluorescence based analysis
50015821	3	ChEMBL_2194527 (CHEMBL5106887)	Inhibition of N-terminal GST-tagged human recombinant PARK7 expressed in Escherichia coli BL21(DE3)Rosetta2 cells using DiFMUAc as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured for 1 hr by DiFMUAc assay based fluorescence analysis
50015821	4	ChEMBL_2194542 (CHEMBL5106902)	Inhibition of N-terminal GST-tagged human recombinant PARK7 expressed in Escherichia coli BL21(DE3)Rosetta2 cells assessed as reduction in JQ-107-labelled PARK7 band intensity incubated for 1 hr followed by incubation with JQ-107 and measured for 2 hrs by fluorescence polarization assay
50015822	1	ChEMBL_2194546 (CHEMBL5106906)	Agonist activity at human ACKR3 expressed in HEK293T cells assessed as beta-arrestin recruitment incubated for 30 mins by BRET assay
50015822	2	ChEMBL_2194547 (CHEMBL5106907)	Agonist activity at human ACKR3 expressed in HEK293 cells assessed as beta-arrestin 2 recruitment by luciferase based NanoBiT assay
50015822	3	ChEMBL_2194548 (CHEMBL5106908)	Agonist activity at full length N-terminal HA-tagged human ACKR3 expressed in HEK293S cells assessed as beta-arrestin 2 recruitment incubated for 60 mins by BRET assay
50015822	4	ChEMBL_2194549 (CHEMBL5106909)	Agonist activity at human ACKR3 expressed in HEK293 cells assessed as beta-arrestin recruitment incubated for 30 mins by BRET assay
50015822	5	ChEMBL_2194550 (CHEMBL5106910)	Agonist activity at human C-terminal Smbit-tagged ACKR3 assessed as beta-arrestin recruitment by Nanoluciferase complementation-based assay
50015822	6	ChEMBL_2194551 (CHEMBL5106911)	Agonist activity against ACKR3 (unknown origin) assessed as induction of beta-arrestin 2 recruitment
50015822	7	ChEMBL_2194552 (CHEMBL5106912)	Activation of human ACKR3 overexpressed in CHO-K1 cells assessed as induction of beta-arrestin recruitment incubated for 90 mins by luminescence based assay
50015823	1	ChEMBL_2194562 (CHEMBL5106922)	Antagonist activity at human P2X1R transfected in CHO-K1 cells preincubated for 30 mins followed by alpha,beta-meATP addition by luminescence based assay
50015823	2	ChEMBL_2194564 (CHEMBL5106924)	Antagonist activity at human P2X2/3R transfected in CHO-K1 cells preincubated for 30 mins followed by alpha,beta-meATP addition by fluorescence based assay
50015823	3	ChEMBL_2194566 (CHEMBL5106926)	Antagonist activity at human P2X3R transfected in CHO-K1 cells preincubated for 30 mins followed by alpha,beta-meATP addition by fluorescence based assay
50015823	4	ChEMBL_2194568 (CHEMBL5106928)	Antagonist activity at human P2X4R transfected in HEK293 cells preincubated for 30 mins followed by CTP addition by fluorescence based assay
50015823	5	ChEMBL_2194570 (CHEMBL5106930)	Binding affinity to human D3 dopamine receptor
50015823	6	ChEMBL_2194571 (CHEMBL5106931)	Binding affinity to human 5HT2C serotonin receptor
50015823	7	ChEMBL_2194586 (CHEMBL5106946)	Antagonist activity at rat P2X4R expressed in HEK293 cells preincubated for 2 mins followed by ATP addition and measured after 4 mins
50015823	8	ChEMBL_2194587 (CHEMBL5106947)	Antagonist activity at P2X4R (unknown origin) expressed in 1321N1 cells
50015824	1	ChEMBL_2194588 (CHEMBL5106948)	Antagonist activity at androgen receptor (unknown origin) in human LNCap-ARR2PB-eGFP cells by measuring fluorescence intensity measured after 3 days by transcriptional assay
50015824	2	ChEMBL_2194593 (CHEMBL5106953)	Antagonist activity at mineralocorticoid receptor (unknown origin) transfected in PC-3 cells assessed as inhibition of aldosterone-stimulated transcriptional activity after 3 days by dual luciferase reporter assay
50015824	3	ChEMBL_2194596 (CHEMBL5106956)	Binding affinity to full length androgen receptor (unknown origin) assessed as dissociation constant at 5 uM measured after 15 mins by biolayer interferometry assay
50015824	4	ChEMBL_2194597 (CHEMBL5106957)	Antagonist activity at androgen receptor F877L mutant (unknown origin) expressed in PC-3 cells assessed as inhibition of transcriptional activity measured after 24 hrs by dual luciferase assay
50015824	5	ChEMBL_2194598 (CHEMBL5106958)	Antagonist activity at androgen receptor F877L/T877A dual mutant (unknown origin) expressed in PC-3 cells assessed as inhibition of transcriptional activity measured after 24 hrs by dual luciferase assay
50015824	6	ChEMBL_2194599 (CHEMBL5106959)	Antagonist activity at androgen receptor F877L mutant in human PC-3 cells assessed as inhibition of transcriptional activity measured after 24 hrs by luminescence based microplate reader assay
50015824	7	ChEMBL_2194600 (CHEMBL5106960)	Antagonist activity at androgen receptor F876L/T877A mutant in human PC-3 cells assessed as inhibition of transcriptional activity measured after 24 hrs by luminescence based microplate reader assay
50015824	8	ChEMBL_2194603 (CHEMBL5106963)	Agonist activity at full length androgen receptor F877L mutant (unknown origin) expressed in PC-3 cells assessed as transcriptional activity
50015824	9	ChEMBL_2194604 (CHEMBL5106964)	Agonist activity at full length androgen receptor F876L/T877A mutant (unknown origin) expressed in PC-3 cells assessed as transcriptional activity
50015825	1	ChEMBL_2194612 (CHEMBL5106972)	Inhibition of Clostridium histolyticum peptidase unit of ColH assessed as inhibition constant incubated for 144 seconds by FRET based assay
50015825	2	ChEMBL_2194613 (CHEMBL5106973)	Inhibition of Clostridium histolyticum CoLH using M MOCAcPro-Leu-Gly-Leu-A2pr-(DNP)Ala-Arg-NH2 as substrate incubated for 10 mins by fluorescence spectrophotometer analysis
50015825	3	ChEMBL_2194615 (CHEMBL5106975)	Inhibition of human MMP-2 assessed as inhibition constant using AcProLeuGly-S-LeuLeuGlyOEt as substrate by spectrophotometer analysis
50015825	4	ChEMBL_2194616 (CHEMBL5106976)	Inhibition of human MMP-8 assessed as inhibition constant using AcProLeuGly-S-LeuLeuGlyOEt as substrate by spectrophotometer analysis
50015825	5	ChEMBL_2194617 (CHEMBL5106977)	Inhibition of Clostridium histolyticum CoLH assessed as inhibition constant using M MOCAcPro-Leu-Gly-Leu-A2pr-(DNP)Ala-Arg-NH2 as substrate incubated for 10 mins by fluorescence spectrophotometer analysis
50015825	6	ChEMBL_2194618 (CHEMBL5106978)	Inhibition of Clostridium histolyticum CoLH
50015825	7	ChEMBL_2194623 (CHEMBL5106983)	Inhibition of Bacillus cereus collagenase unit of N-terminal His6-tagged ColQ1 expressed in Escherichia coli NiCo21(DE3) cells incubated for 144 seconds by FRET based assay
50015825	8	ChEMBL_2194624 (CHEMBL5106984)	Inhibition of Clostridium histolyticum collagenase unit of ColG assessed as inhibition constant incubated for 144 seconds by FRET based assay
50015825	9	ChEMBL_2194625 (CHEMBL5106985)	Inhibition of Bacillus cereus ATCC 14579 collagenase unit of ColQ1 assessed as inhibition constant incubated for 144 seconds by FRET based assay
50015825	10	ChEMBL_2194626 (CHEMBL5106986)	Inhibition of Bacillus cereus ATCC 14579 collagenase unit of ColA assessed as inhibition constant incubated for 144 seconds by FRET based assay
50015825	11	ChEMBL_2194629 (CHEMBL5106989)	Inhibition of human recombinant N-terminal his6-tagged MMP-1 expressed in HEK293 cells by microplate reader analysis
50015825	12	ChEMBL_2194630 (CHEMBL5106990)	Inhibition of human recombinant MMP-2
50015825	13	ChEMBL_2194631 (CHEMBL5106991)	Inhibition of human recombinant MMP-3
50015826	1	ChEMBL_2194669 (CHEMBL5107029)	Inhibition of uPAR/uPA (unknown origin) interaction by ELISA
50015826	2	ChEMBL_2194670 (CHEMBL5107030)	Inhibition of uPAR/uPA (unknown origin) interaction assessed as dissociation constant by fluorescence polarization (FP) assay
50015827	1	ChEMBL_2194675 (CHEMBL5107035)	Induction of CYP24A1 (unknown orgin) transcriptional activity trasfected in human MCF7 cells incuabted for 48 hrs by luciferase reporter gene assay
50015827	2	ChEMBL_2194677 (CHEMBL5107037)	Competitive binding affinity to His-tagged human VDR LBD (156 to 453 residues) expressed in Escherichia coli BL23 (DE3) cells in presence of 1,25D3 by fluorescent polarization assay
50015828	1	ChEMBL_2194680 (CHEMBL5107040)	Inhibition of Plasmodium falciparum CDPK1 measured after 2 hrs by luciferin based luminescence assay
50015828	2	ChEMBL_2194682 (CHEMBL5107042)	Inhibition of Plasmodium falciparum GSK3 measured after 2 hrs by luciferin-based luminescence assay
50015828	3	ChEMBL_2194693 (CHEMBL5107053)	Inhibition of recombinant Plasmodium falciparum GSK3 using GS-1 as substrate measured after 30 mins in presence of [gamma 32P-ATP] by SDS-PAGE based autoradiography
50015829	1	ChEMBL_2194696 (CHEMBL5107056)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintillation proximity assay
50015829	2	ChEMBL_2194697 (CHEMBL5107057)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintillation proximity assay
50015829	3	ChEMBL_2194698 (CHEMBL5107058)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintillation proximity assay
50015829	4	ChEMBL_2194699 (CHEMBL5107059)	Agonist activity at human MC1R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assay
50015829	5	ChEMBL_2194700 (CHEMBL5107060)	Agonist activity at human MC3R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assay
50015829	6	ChEMBL_2194701 (CHEMBL5107061)	Antagonist activity at human MC4R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assay
50015829	7	ChEMBL_2194702 (CHEMBL5107062)	Agonist activity at human MC5R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assay
50015830	1	ChEMBL_2194749 (CHEMBL5107109)	Inhibition of COX-2 (unknown origin)
50015833	1	ChEMBL_2194808 (CHEMBL5107168)	Inhibition of His6-tagged recombinant human BRD4 BD1 using (SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHGSGSK-biotin) as substrate by TR-FRET assay
50015833	2	ChEMBL_2194809 (CHEMBL5107169)	Inhibition of His6-tagged recombinant human BRD4 BD2 using (SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHGSGSK-biotin) as substrate by TR-FRET assay
50015837	1	ChEMBL_2194816 (CHEMBL5107176)	Inhibition of SOS1 in human DLD-1 cells assessed as reduction in ERK phosphorylation incubated for 1 hr by fluorescence assay
50015837	2	ChEMBL_2194835 (CHEMBL5107195)	Inhibition of CYP3A4 in human liver microsomes at 10 uM using midazolam as substrate preincubated for 10 mins followed by NADPH addition by LC/MS analysis
50015837	3	ChEMBL_2194836 (CHEMBL5107196)	Inhibition of CYP1A2 in human liver microsomes at 10 uM using phenacetin as substrate preincubated for 10 mins followed by NADPH addition by LC/MS analysis
50015837	4	ChEMBL_2194837 (CHEMBL5107197)	Inhibition of CYP2C9 in human liver microsomes at 10 uM using diclofenac as substrate preincubated for 10 mins followed by NADPH addition by LC/MS analysis
50015837	5	ChEMBL_2194838 (CHEMBL5107198)	Inhibition of CYP2C8 in human liver microsomes at 10 uM using amodiaquine as substrate preincubated for 10 mins followed by NADPH addition by LC/MS analysis
50015837	6	ChEMBL_2194839 (CHEMBL5107199)	Inhibition of CYP2D6 in human liver microsomes at 10 uM using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition by LC/MS analysis
50015837	7	ChEMBL_2194840 (CHEMBL5107200)	Time-dependent inhibition of CYP2C9 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS analysis
50015837	8	ChEMBL_2194841 (CHEMBL5107201)	Time-dependent inhibition of CYP2C8 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS analysis
50015837	9	ChEMBL_2194842 (CHEMBL5107202)	Time-dependent inhibition of CYP2D6 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS analysis
50015837	10	ChEMBL_2194843 (CHEMBL5107203)	Time-dependent inhibition of CYP3A4 (unknown origin) at 2 ul pre-incubated for 30 mins in presence or absence of NADPH incubated for 10 mins by LC/MS analysis
50015838	1	ChEMBL_2194946 (CHEMBL5107306)	Inhibition of hERG expressed in CHO cells Qpatch-clamp electrophysiology assay
50015838	2	ChEMBL_2194953 (CHEMBL5107313)	Inhibition of Mycobacterium tuberculosis Pks13-TE expressed in Escherichia coli BL21(DE3) pLysS
50015841	1	ChEMBL_2194967 (CHEMBL5107327)	Inhibition of human fXa assessed as inhibition constant using Cbz-D-Arg-Gly-L-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by spectrofluorometric method
50015850	1	ChEMBL_2194997 (CHEMBL5107357)	Inhibition of ENO1 (unknown origin)
50015851	1	ChEMBL_2195058 (CHEMBL5107418)	Inhibition of CALML3 (unknown origin) assessed as apparent protein translation inhibition constant incubated for 5 hrs by SDS gel electrophoresis
50015853	1	ChEMBL_2195066 (CHEMBL5107426)	Binding affinity to RED-NHS labelled Mycobacterium tuberculosis LpqY expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 10 mins by Microscale thermophoresis analysis
50015857	1	ChEMBL_2195145 (CHEMBL5107505)	Negative allosteric modulation activity at CK2alpha (unknown origin) assessed as inhibition of CK2alpha
50015857	2	ChEMBL_2195156 (CHEMBL5107516)	Binding affinity to CK2alpha (unknown origin) by isothermal titration calorimetry
50015858	1	ChEMBL_2195257 (CHEMBL5107617)	Inhibition of candida albicans CYP51 using 7-ethoxyresorufin as fluorescent substrate incubated for 10 mins in the presence of NADPH by fluorescence based spectroscopic microtiter plate reader analysis
50015858	2	ChEMBL_2195259 (CHEMBL5107619)	Inhibition of human CYP3A4 using luciferin-IPA as substrate preincubated for 10 mins followed by NADPH addition and measured after 30 mins by luminescence based assay
50015860	1	ChEMBL_2195270 (CHEMBL5107630)	Displacement of [3H]-epibatidine from recombinant Lymnaea stagnalis Acetylcholine-binding protein by radioligand binding assay
50015860	2	ChEMBL_2195271 (CHEMBL5107631)	Negative allosteric modulation activity at alpha7 nAChR in human SH-SY5Y cells assessed as inhibition of choline induced intracellular calcium by FLIPR assay
50015862	1	ChEMBL_2195280 (CHEMBL5107640)	Inhibition of recombinant Escherichia coli MurA assessed using UDP-N-acetylglucosamine as substrate preincubated for 30 mins in presence of 1 mM DTT followed by substrate addition and measured by malachite green based colorimetric assay
50015864	1	ChEMBL_2195294 (CHEMBL5107654)	Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as substrate incubated for 1 hr by multimode microplate reader analysis
50015864	2	ChEMBL_2195305 (CHEMBL5107665)	Inhibition of human PHPT1 expressed in Escherichia coli BL21 (DE3) using pNPP as substrate assessed as inhibition constant by reciprocal analysis
50015866	1	ChEMBL_2195307 (CHEMBL5107667)	Inhibition of rat 6PGD assessed as inhibition constant by spectrophotometric method
50015866	2	ChEMBL_2195308 (CHEMBL5107668)	Inhibition of rat 6PGD by spectrophotometric method
50015866	3	ChEMBL_2195309 (CHEMBL5107669)	Inhibition of rat G6PD by spectrophotometric method
50015866	4	ChEMBL_2195310 (CHEMBL5107670)	Inhibition of rat glutathione reductase by spectrophotometric method
50015867	1	ChEMBL_2195326 (CHEMBL5107686)	Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of accumulation of forskolin-stimulated cAMP level incubated for 35 mins by chemiluminescence based assay
50015867	2	ChEMBL_2195328 (CHEMBL5107688)	Agonist activity at human CB2 receptor expressed in PathHunter CHO-K1 CNR2 beta-arrestin cells assessed as beta-arrestin recruitment incubated for 3 hrs by plate reader analysis
50015868	1	ChEMBL_2195431 (CHEMBL5107791)	Inhibition of N-terminal His6-tagged TET2 (unknown origin) expressed in Escherichia coli assessed as reduction in 5-methylcytosine oxidation by measuring 5-carboxylcytosine level by FRET assay
50015868	2	ChEMBL_2195432 (CHEMBL5107792)	Inhibition of N-terminal His6-tagged TET2 (unknown origin) expressed in Escherichia coli assessed as reduction in 5-methylcytosine oxidation preincubated for 30 mins followed by Fe(II) addition for 1 hrs and Msp1 addition and measured after 4 hrs using oligonucleotide as substrate by FRET assay
50015868	3	ChEMBL_2195433 (CHEMBL5107793)	Inhibition of N-terminal His6-tagged TET2 (unknown origin) expressed in Escherichia coli assessed as reduction in hmC and fC levels preincubated for 30 mins followed by Fe(II) addition and measured after 1 hrs using 5'-CACmCGGTG-3' palindromic oligonucleotide as substrate by MALDI-TOF MS analysis
50015869	1	ChEMBL_2195552 (CHEMBL5107912)	Binding affinity to human T-p53C-Y220C mutant expressed in Escherichia coli BL21 pLysS by isothermal titration calorimetry
50015870	1	ChEMBL_2195557 (CHEMBL5107917)	Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50015871	1	ChEMBL_2195562 (CHEMBL5107922)	Inhibition of His/TEV-cleavable tagged recombinant JAK3 kinase domain (781 to 1124 residues) (unknown origin) by ELISA analysis
50015871	2	ChEMBL_2195563 (CHEMBL5107923)	Inhibition of CDK7 (unknown origin) in human HAP1 cells incubated for 6 hrs by Western blot based competitive pull down assay
50015871	3	ChEMBL_2195564 (CHEMBL5107924)	Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) in leukemia cells
50015871	4	ChEMBL_2195565 (CHEMBL5107925)	Inhibition of EGFR L858R/T790M mutant (unknown origin) in human NCI-H1975 cells
50015871	5	ChEMBL_2195566 (CHEMBL5107926)	Inhibition of BTK (unknown origin)
50015871	6	ChEMBL_2195567 (CHEMBL5107927)	Inhibition of CDK2 (unknown origin)
50015871	7	ChEMBL_2195570 (CHEMBL5107930)	Inhibition of HIV-1 reverse transcriptase Y181C mutant
50015871	8	ChEMBL_2195571 (CHEMBL5107931)	Inhibition of SARS-CoV-2 main protease
50015872	1	ChEMBL_2195575 (CHEMBL5108091)	Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membrane measured after 90 mins by liquid scintillation counting method
50015872	2	ChEMBL_2195576 (CHEMBL5108092)	Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane incubated for 90 mins by liquid scintillation counting method
50015872	3	ChEMBL_2195578 (CHEMBL5108094)	Agonist activity at FLAG-tagged mouse delta opioid receptor expressed in human HEK293 cells assessed as inhibition of forskolin stimulated cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 15 mins by GloSensor assay
50015872	4	ChEMBL_2195579 (CHEMBL5108095)	Agonist activity at human delta opioid receptor expressed in CHO cells co-expressing beta-arrestin2 assessed as beta-arrestin2 recruitment measured after 90 mins by PathHunter assay
50015872	5	ChEMBL_2195581 (CHEMBL5108097)	Agonist activity at FLAG-tagged mouse mu opioid receptor expressed in human HEK293 cells assessed as inhibition of forskolin stimulated cAMP production preincubated for 20 mins followed by forskolin stimulation and measured after 15 mins by GloSensor assay
50015872	6	ChEMBL_2195582 (CHEMBL5108098)	Agonist activity at human mu opioid receptor expressed in CHO cells co-expressing beta-arrestin2 assessed as beta-arrestin2 recruitment measured after 90 mins by PathHunter assay
50015873	1	ChEMBL_2195599 (CHEMBL5108115)	Agonist activity at human CB1R expressed in mouse AtT20 cells by FLIPR membrane potential assay
50015873	2	ChEMBL_2195600 (CHEMBL5108116)	Agonist activity at human CB2R expressed in mouse AtT20 cells by FLIPR membrane potential assay
50015873	3	ChEMBL_2195601 (CHEMBL5108117)	Antagonist activity at human CB1R expressed in mouse AtT20 cells by FLIPR membrane potential assay
50015873	4	ChEMBL_2195602 (CHEMBL5108118)	Antagonist activity at human CB2R expressed in mouse AtT20 cells by FLIPR membrane potential assay
50015874	1	ChEMBL_2195616 (CHEMBL5108132)	Inhibition of human ST6Gal I
50015874	2	ChEMBL_2195618 (CHEMBL5108134)	Inhibition of recombinant human ST6Gal I incubated for 1 hrs in the presence of CMP-Neu5Ac as donor and LacNAc as acceptor by luminescence based CMP-Glo assay
50015875	1	ChEMBL_2195619 (CHEMBL5108135)	Inhibition of recombinant human GST20 tagged truncated LRRK2 G2019S mutant assessed as substrate phosphorylation preincubated for 15 mins followed by substrate addition and measured after 90 mins using fluorescein-labeled LRRK2tide as substrate in presence of ATP by TR-FRET based Lanthascreen kinase activity assay
50015875	2	ChEMBL_2195620 (CHEMBL5108136)	Inhibition of human LRRK2 G2019S mutant expressed in human SH-SY5Y cells assessed as inhibition of tetracycline induced LRRK2 phosphorylation at Ser935 residue incubated for 90 mins by MSD assay
50015875	3	ChEMBL_2195621 (CHEMBL5108137)	Inhibition of CLK2 (unknown origin) assessed as substrate phosphorylation using coumarin and fluorescein-labeled peptide as substrate incubated for 1 hr by Z'-LYTE kinase assay
50015875	4	ChEMBL_2195638 (CHEMBL5108154)	Inhibition of human ERG tail current in cells at -80 mV holding potential by PatchXpress automated patch clamp assay
50015875	5	ChEMBL_2195639 (CHEMBL5108155)	Inhibition of human NaV1.5 expressed in HEK293 by PatchXpress automated patch clamp assay
50015877	1	ChEMBL_2195675 (CHEMBL5108191)	Antagonist activity at human TLR2 in HEK-Blue hTLR2 cells assessed as inhibition of Pam3CSK4-induced receptor activation preincubated with Pam3CSK4 followed by compound addition and measured 24 hrs by Quanti-Blue based SEAP reporter gene assay
50015877	2	ChEMBL_2195676 (CHEMBL5108192)	Antagonist activity at human TLR4 in HEK-Blue hTLR4 cells assessed as inhibition of LPS-induced receptor activation preincubated with LPS followed by compound addition and measured 24 hrs by Quanti-Blue based SEAP reporter gene assay
50015878	1	ChEMBL_2195751 (CHEMBL5108267)	Inhibition of Pseudomonas aeruginosa PA14 LasB elastase preincubated for 15 mins followed by substrate addition and measured after 60 mins using 2-aminobenzoyl-Ala-Gly-Leu-Ala-4-nitrobenzylamide as fluorogenic substrate by fluorescence based microplate reader analysis
50015878	2	ChEMBL_2195767 (CHEMBL5108283)	Inhibition of human MMP-1
50015878	3	ChEMBL_2195768 (CHEMBL5108284)	Inhibition of human MMP-2
50015878	4	ChEMBL_2195769 (CHEMBL5108285)	Inhibition of human MMP-3
50015878	5	ChEMBL_2195770 (CHEMBL5108286)	Inhibition of human MMP-7
50015878	6	ChEMBL_2195771 (CHEMBL5108287)	Inhibition of human MMP-8
50015878	7	ChEMBL_2195772 (CHEMBL5108288)	Inhibition of human MMP-14
50015879	1	ChEMBL_2195785 (CHEMBL5108301)	Inhibition of N-terminal His-tagged full length human PARP2 expressed in Escherichia coli BL21 (DE3) preincubated with 6-a-NAD+ for 5 to 10 mins followed by enzyme addition and measured after 60 mins using NAD+ as substrate byHRP based chemiluminescence assay
50015879	2	ChEMBL_2195786 (CHEMBL5108302)	Inhibition of N-terminal His-tagged full length human PARP11 expressed in Escherichia coli BL21 (DE3) preincubated with 6-a-NAD+ for 5 to 10 mins followed by enzyme addition and measured after 60 mins using NAD+ as substrate byHRP based chemiluminescence assay
50015879	3	ChEMBL_2195788 (CHEMBL5108304)	Inhibition of N-terminal His-tagged recombinant human PARP4 brct-catalytic domain (369 to 573 residues) expressed in Escherichia coli BL21 (DE3) preincubated with 6-a-NAD+ for 5 to 10 mins followed by enzyme addition and measured after 60 mins using NAD+ as substrate byHRP based chemiluminescence assay
50015879	4	ChEMBL_2195789 (CHEMBL5108305)	Inhibition of N-terminal His-tagged full length human PARP1 expressed in Escherichia coli BL21 (DE3) preincubated with 6-a-NAD+ for 5 to 10 mins followed by enzyme addition and measured after 60 mins using NAD+ as substrate byHRP based chemiluminescence assay
50015879	5	ChEMBL_2195803 (CHEMBL5108319)	Inhibition of N-terminal His-tagged human PARP15 catalytic domain expressed in Escherichia coli BL21 (DE3) preincubated with 6-a-NAD+ for 5 to 10 mins followed by enzyme addition and measured after 60 mins using NAD+ as substrate byHRP based chemiluminescence assay
50015880	1	ChEMBL_2195888 (CHEMBL5108404)	Displacement of (2S,4R)-N-(4-bromobenzyl)-4-hydroxy-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide from VBC E3 ligase (unknown origin) binary complex by 19F NMR assay
50015880	2	ChEMBL_2195889 (CHEMBL5108405)	Displacement of (2S,4R)-N-(4-bromobenzyl)-4-hydroxy-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide from VBC E3 ligase (unknown origin) binary complex assessed as inhibition constant by 19F NMR assay
50015880	3	ChEMBL_2195890 (CHEMBL5108406)	Displacement of (2S,4R)-N-(4-bromobenzyl)-4-hydroxy-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide from dual VBC E3 ligase (unknown origin) ternary complex by 19F NMR assay
50015880	4	ChEMBL_2195891 (CHEMBL5108407)	Displacement of (2S,4R)-N-(4-bromobenzyl)-4-hydroxy-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide from dual VBC E3 ligase (unknown origin) ternary complex assessed as inhibition constant by 19F NMR assay
50015880	5	ChEMBL_2195894 (CHEMBL5108410)	Binding affinity to VCB E3 ligase (unknown origin) assessed as binary equilibrium dissociation constant by 19F NMR assay
50015881	1	ChEMBL_2195895 (CHEMBL5108411)	Inhibition of GST-tagged recombinant UCHL1 (unknown origin) using Ub-Lys-TAMRA as substrate incubated for 30 mins by fluorescence polarization assay
50015881	2	ChEMBL_2195896 (CHEMBL5108412)	Inhibition of GST-tagged recombinant UCHL3 (unknown origin) using Ub-Lys-TAMRA as substrate incubated for 30 mins by fluorescence polarization assay
50015881	3	ChEMBL_2195901 (CHEMBL5108417)	Inhibition of FLAG-tagged UCHL1 (unknown origin) expressed in CAL-51 cells using HA-Ub-VME as substrate incubated for 30 mins by HTRF assay
50015882	1	ChEMBL_2195999 (CHEMBL5108515)	Inhibition of Mycobacterium tuberculosis Eis assessed as Eis-mediated kanamycin acetylation preincubated for 10 mins followed by substrate addition and measured for 2 to 5 mins using acetyl-CoA as substrate in presence of kanamycin by UV-Vis spectroscopy analysis
50015882	2	ChEMBL_2196007 (CHEMBL5108523)	Competitive inhibition of Mycobacterium tuberculosis Eis assessed as reduction in Eis-mediated kanamycin acetylation preincubated for 10 mins followed by substrate addition and measured for 2 to 5 mins using acetyl-CoA as substrate in presence of kanamycin by Lineweaver-Burk plot analysis
50015884	1	ChEMBL_2196060 (CHEMBL5108576)	Competitive inhibition of biotinylated heparin binding to His-tagged wild type SARS-COV-2 spike protein incubated for 300 sec by biolayer interferometry streptavidin sensor based assay
50015884	2	ChEMBL_2196061 (CHEMBL5108577)	Competitive inhibition of biotinylated heparin binding to His-tagged wild type SARS-COV-2 spike protein assessed inhibition constant incubated for 300 sec by biolayer interferometry streptavidin sensor based assay
50015885	1	ChEMBL_2196078 (CHEMBL5108594)	Non competitive type inhibition of human TS assessed as inhibition constant using varying levels of mTHF as substrate by UV-Vis spectroscopy based analysis
50015885	2	ChEMBL_2196079 (CHEMBL5108595)	Mixed type inhibition of human TS assessed as inhibitor dissociation constant by measuring changes in slope of the double reciprocal plot using dTMP as substrate by UV-Vis spectroscopy based analysis
50015886	1	ChEMBL_2196121 (CHEMBL5108637)	Inhibition of 20S proteasome (unknown origin) by fluorescence based assay
50015886	2	ChEMBL_2196147 (CHEMBL5108663)	Inhibition of ROCK2 (unknown origin) by HTRF kinase assay
50015886	3	ChEMBL_2196164 (CHEMBL5108680)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate measured after 30 mins by Ellman's method
50015886	4	ChEMBL_2196178 (CHEMBL5108694)	Inhibition of alpha-glucosidase (unknown origin)
50015886	5	ChEMBL_2196184 (CHEMBL5108700)	Inhibition of alpha-Glucosidase (unknown origin) using pNPG as substrate incubated for 20 mins by micro plate reader analysis
50015886	6	ChEMBL_2196188 (CHEMBL5108704)	Inhibition of ACE (unknown origin) using hippuryl-histidyl-leucine as substrate pre-incubated with compound for 10 mins followed by substrate addition measured after 60 mins by HPLC analysis
50015886	7	ChEMBL_2196194 (CHEMBL5108710)	Inhibition of influenza A virus Neuraminidase using 2-(4-methylumbelliferyl)-a-D-acetylneuraminic acid as substrate incubated for 30 mins by fluorescence based analysis
50015886	8	ChEMBL_2196196 (CHEMBL5108712)	Inhibition of N-terminal His6-tagged Mycobacterium tuberculosis H37Rv PTPB using 6,8-difluoromethylumbelliferyl phosphate as substrate incubated for 30 mins by fluorescence based analysis
50015887	1	ChEMBL_2196199 (CHEMBL5108715)	Displacement of synthetic peptide tracer conjugated to fluorescein isothiocyanate from C-terminal 6xHis-tagged Bcl-2 (1 to 204 residues) (unknown origin) preincubated for 1 hr followed by tracer addition measured after 20 mins by fluorescence polarization assay
50015887	2	ChEMBL_2196200 (CHEMBL5108716)	Displacement of synthetic peptide tracer conjugated to fluorescein isothiocyanate from C-terminal 6xHis-tagged Bcl-xL (1 to 209 residues) (unknown origin) preincubated for 1 hr followed by tracer addition measured after 20 mins by fluorescence polarization assay
50015887	3	ChEMBL_2196202 (CHEMBL5108718)	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50015887	4	ChEMBL_2196203 (CHEMBL5108719)	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50015887	5	ChEMBL_2196204 (CHEMBL5108720)	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant
50015887	6	ChEMBL_2196205 (CHEMBL5108721)	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant
50015887	7	ChEMBL_2196206 (CHEMBL5108722)	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant using 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG as substrate
50015887	8	ChEMBL_2196207 (CHEMBL5108723)	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant using 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG as substrate
50015887	9	ChEMBL_2196217 (CHEMBL5108733)	Binding affinity to human Bcl-2 assessed as inhibition constant incubated for 15 mins by competition fluorescence polarization assay
50015887	10	ChEMBL_2196218 (CHEMBL5108734)	Binding affinity to human Bcl-xL assessed as inhibition constant incubated for 15 mins by competition fluorescence polarization assay
50015887	11	ChEMBL_2196219 (CHEMBL5108735)	Binding affinity to human Mcl-1 assessed as inhibition constant incubated for 15 mins by competition fluorescence polarization assay
50015887	12	ChEMBL_2196220 (CHEMBL5108736)	Binding affinity to recombinant wild-type Bcl-2 (unknown origin) using peptide probe incubated for 2 hrs by fluorescence based assay
50015887	13	ChEMBL_2196222 (CHEMBL5108738)	Binding affinity to recombinant Bcl-2 D103Y mutant (unknown origin) using peptide probe incubated for 2 hrs by fluorescence based assay
50015887	14	ChEMBL_2196223 (CHEMBL5108739)	Binding affinity to recombinant Bcl-2 D103V mutant (unknown origin) using peptide probe incubated for 2 hrs by fluorescence based assay
50015887	15	ChEMBL_2196224 (CHEMBL5108740)	Binding affinity to recombinant Bcl-2 D103E mutant (unknown origin) using peptide probe incubated for 2 hrs by fluorescence based assay
50015888	1	ChEMBL_2196296 (CHEMBL5108812)	Displacement of [3H]-CP55940 from human CB1 receptor expressed in human HEK293-EBNA cells incubated for 60 mins by radioligand competitive binding assay based liquid scintillation counter
50015888	2	ChEMBL_2196297 (CHEMBL5108813)	Displacement of [3H]-CP55940 from N-terminal 3HA-tagged human CB2 receptor expressed in human HEK293-EBNA cells incubated for 60 mins by radioligand competitive binding assay based liquid scintillation counter
50015888	3	ChEMBL_2196298 (CHEMBL5108814)	Agonist activity at human CB1 receptor expressed in mouse AtT20 cells incubated for 60 mins by FLIPR membrane potential assay
50015888	4	ChEMBL_2196299 (CHEMBL5108815)	Agonist activity at human CB2 receptor expressed in mouse AtT20 cells incubated for 60 mins by FLIPR membrane potential assay
50015888	5	ChEMBL_2196302 (CHEMBL5108818)	Agonist activity at CB1 receptor (unknown origin) expressed in human HEK293T cells co-expressing beta-arrestin2 assessed as beta-arrestin2 recruitment using furimazine as substrate by Nano-Glo live cell reagent assay
50015888	6	ChEMBL_2196303 (CHEMBL5108819)	Agonist activity at CB2 receptor (unknown origin) expressed in human HEK293T cells co-expressing beta-arrestin2 assessed as beta-arrestin2 recruitment using furimazine as substrate by Nano-Glo live cell reagent assay
50015889	1	ChEMBL_2196310 (CHEMBL5108826)	Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
50015889	2	ChEMBL_2196311 (CHEMBL5108827)	Displacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counter
50015889	3	ChEMBL_2196312 (CHEMBL5108828)	Displacement of [32P]S1P from human recombinant S1PR3 incubated for 60 mins by competitive binding assay based scintillation counter
50015889	4	ChEMBL_2196313 (CHEMBL5108829)	Displacement of [32P]S1P from human recombinant S1PR4 incubated for 60 mins by competitive binding assay based scintillation counter
50015889	5	ChEMBL_2196314 (CHEMBL5108830)	Displacement of [32P]S1P from human recombinant S1PR5 incubated for 60 mins by competitive binding assay based scintillation counter
50015890	1	ChEMBL_2196369 (CHEMBL5108885)	Antagonist activity at human MOR expressed in CHO-K1 cells assessed as reduction in fentanyl induced cAMP production incubated for 30 mins by Lance ultra cAMP assay
50015891	1	ChEMBL_2196373 (CHEMBL5108889)	Inhibition of recombinant Staphylococcus aureus sortase A deltaN24 transpeptidation expressed in Escherichia coli BL21 (DE3) cells using Abz-LPATG-Dnp as substrate preincubated for 20 mins followed by substrate addition and measured every 1 min for 15 mins by FRET assay
50015891	2	ChEMBL_2196375 (CHEMBL5108891)	Inhibition of recombinant Staphylococcus aureus sortase A deltaN24 transpeptidation expressed in Escherichia coli BL21 (DE3) cells using IsdA64 to 323 as substrate preincubated for 20 mins followed by substrate addition and measured after 1.5 hrs by SDS-PAGE-based assay
50015891	3	ChEMBL_2196377 (CHEMBL5108893)	Irreversible inhibition of recombinant Staphylococcus aureus sortase A deltaN24 expressed in Escherichia coli BL21(DE3) cells using Abz-LPATG-Dnp as substrate preincubated for 10 mins followed by substrate addition and measured every 1 min for 15 mins by FRET-based assay
50015891	4	ChEMBL_2196378 (CHEMBL5108894)	Irreversible inhibition of recombinant Staphylococcus aureus sortase A deltaN24 expressed in Escherichia coli BL21(DE3) cells using Abz-LPATG-Dnp as substrate preincubated for 20 mins followed by substrate addition and measured every 1 min for 15 mins by FRET-based assay
50015891	5	ChEMBL_2196379 (CHEMBL5108895)	Irreversible inhibition of recombinant Staphylococcus aureus sortase A deltaN24 expressed in Escherichia coli BL21(DE3) cells using Abz-LPATG-Dnp as substrate preincubated for 40 mins followed by substrate addition and measured every 1 min for 15 mins by FRET-based assay
50015891	6	ChEMBL_2196380 (CHEMBL5108896)	Irreversible inhibition of recombinant Staphylococcus aureus sortase A deltaN24 expressed in Escherichia coli BL21(DE3) cells using Abz-LPATG-Dnp as substrate preincubated for 60 mins followed by substrate addition and measured every 1 min for 15 mins by FRET-based assay
50015891	7	ChEMBL_2196389 (CHEMBL5108905)	Irreversible inhibition of recombinant Staphylococcus aureus sortase A deltaN24 expressed in Escherichia coli BL21(DE3) cells using Abz-LPATG-Dnp as substrate assessed as inactivation constant preincubated for 60 mins followed by substrate addition and measured every 1 min for 15 mins by fluorescence intensity based assay
50015891	8	ChEMBL_2196397 (CHEMBL5108913)	Inhibition of cathepsin B (unknown origin) using Cbz-Phe-Arg-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorometric assay
50015891	9	ChEMBL_2196398 (CHEMBL5108914)	Inhibition of cathepsin L (unknown origin) using Cbz-Phe-Arg-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorometric assay
50015892	1	ChEMBL_2196432 (CHEMBL5108948)	Inhibition of Abl T315I mutant (unknown origin)
50015892	2	ChEMBL_2196433 (CHEMBL5108949)	Inhibition of wild type Abl (unknown origin)
50015892	3	ChEMBL_2196447 (CHEMBL5108963)	Inhibition of BCR-ABL phosphorylation in human K562 cells
50015892	4	ChEMBL_2196448 (CHEMBL5108964)	Inhibition of SRC (unknown origin)
50015892	5	ChEMBL_2196449 (CHEMBL5108965)	Inhibition of BCR-ABL (unknown origin)
50015892	6	ChEMBL_2196450 (CHEMBL5108966)	Inhibition of BCR-ABL phosphorylation in human K562 cells incubated for 3 hrs by Western blot analysis
50015892	7	ChEMBL_2196451 (CHEMBL5108967)	Inhibition of PDGFRbeta (unknown origin)
50015892	8	ChEMBL_2196452 (CHEMBL5108968)	Inhibition of c-Kit (unknown origin)
50015892	9	ChEMBL_2196453 (CHEMBL5108969)	Inhibition of recombinant wild type Abl (unknown origin) in presence of [33P]-ATP by radiometric hotspot assay
50015892	10	ChEMBL_2196454 (CHEMBL5108970)	Inhibition of recombinant Abl-T315I mutant (unknown origin) in presence of [33P]-ATP by kinase hotspot assay
50015892	11	ChEMBL_2196455 (CHEMBL5108971)	Inhibition of recombinant PDGFRalpha (unknown origin) in presence of [33P]-ATP by kinase hotspot assay
50015892	12	ChEMBL_2196456 (CHEMBL5108972)	Inhibition of recombinant VEGFR2 (unknown origin) in presence of [33P]-ATP by kinase hotspot assay
50015892	13	ChEMBL_2196457 (CHEMBL5108973)	Inhibition of recombinant FGFR1 (unknown origin) in presence of [33P]-ATP by kinase hotspot assay
50015892	14	ChEMBL_2196458 (CHEMBL5108974)	Inhibition of recombinant SRC (unknown origin) in presence of [33P]-ATP by kinase hotspot assay
50015892	15	ChEMBL_2196459 (CHEMBL5108975)	Inhibition of BCR-ABL (unknown origin) in presence of [gamma33P]-ATP and ATP by ELISA method
50015892	16	ChEMBL_2196460 (CHEMBL5108976)	Inhibition of LYN (unknown origin) in presence of [gamma33P]-ATP and ATP by ELISA method
50015892	17	ChEMBL_2196464 (CHEMBL5108980)	Inhibition of His-tagged wild type ABL (229 to 500 residues) (unknown origin) expressed in baculovirus expression system using abltide as substrate in presence of ATP by ADP-Glo kinase assay
50015892	18	ChEMBL_2196467 (CHEMBL5108983)	Inhibition of His-tagged ABL-V299L mutant (unknown origin) expressed in baculovirus expression system using abltide as substrate in presence of ATP by ADP-Glo kinase assay
50015892	19	ChEMBL_2196470 (CHEMBL5108986)	Inhibition of wild type BCR-ABL phosphorylation in mouse BaF3 cells incubated for 4 hrs by immunoblotting analysis
50015892	20	ChEMBL_2196473 (CHEMBL5108989)	Inhibition of BCR-ABL E255V mutant phosphorylation in mouse BaF3 cells incubated for 4 hrs by immunoblotting analysis
50015892	21	ChEMBL_2196474 (CHEMBL5108990)	Inhibition of BCR-ABL T315I mutant phosphorylation in mouse BaF3 cells incubated for 4 hrs by immunoblotting analysis
50015892	22	ChEMBL_2196480 (CHEMBL5108996)	Inhibition of RET (unknown origin)
50015892	23	ChEMBL_2196481 (CHEMBL5108997)	Inhibition of TrKA (unknown origin)
50015892	24	ChEMBL_2196482 (CHEMBL5108998)	Inhibition of FGFR1 (unknown origin)
50015892	25	ChEMBL_2196484 (CHEMBL5109000)	Binding affinity to FLT3 (unknown origin)
50015892	26	ChEMBL_2196485 (CHEMBL5109001)	Binding affinity to wild type BCR-ABL (unknown origin)
50015892	27	ChEMBL_2196486 (CHEMBL5109002)	Binding affinity to wild type BCR-ABL T315I mutant (unknown origin)
50015892	28	ChEMBL_2196492 (CHEMBL5109008)	Inhibition of Aurora A (unknown origin)
50015892	29	ChEMBL_2196502 (CHEMBL5109018)	Binding affinity to human recombinant His-tagged full length ABL1 expressed in baculovirus expression system by TR-FRET assay
50015893	1	ChEMBL_2196513 (CHEMBL5109029)	Inhibition of human recombinant alpha-L-iduronidase incubated for 60 mins by fluoroscence based assay
50015893	2	ChEMBL_2196527 (CHEMBL5109043)	Degradation of ER alpha in human MCF7 cells
50015893	3	ChEMBL_2196529 (CHEMBL5109045)	Inhibition of CSF-1R (unknown origin)
50015894	1	ChEMBL_2196539 (CHEMBL5109055)	Inhibition of EZH2 (unknown origin)
50015894	2	ChEMBL_2196541 (CHEMBL5109057)	Inhibition of wild-type EZH2 (unknown origin) by AlphaLISA assay
50015894	3	ChEMBL_2196542 (CHEMBL5109058)	Inhibition of EZH2 Y641F mutant (unknown origin) by AlphaLISA assay
50015894	4	ChEMBL_2196543 (CHEMBL5109059)	Inhibition of EZH2 A677G mutant (unknown origin) by AlphaLISA assay
50015894	5	ChEMBL_2196545 (CHEMBL5109061)	Binding affinity to wild-type EZH2 (unknown origin) assessed as apparent inhibition constant
50015894	6	ChEMBL_2196546 (CHEMBL5109062)	Binding affinity to EZH2 mutant (unknown origin) assessed as apparent inhibition constant
50015894	7	ChEMBL_2196547 (CHEMBL5109063)	Inhibition of wild-type EZH2 (unknown origin) using unmethylated H3K27 as substrate
50015894	8	ChEMBL_2196548 (CHEMBL5109064)	Inhibition of EZH2 Y641F mutant (unknown origin) using dimethylated H3K27 as substrate
50015894	9	ChEMBL_2196551 (CHEMBL5109067)	Inhibition of wild-type EZH2 in PRC2 complex (unknown origin) using monomethylated H3K27 as substrate by radiometric assay
50015894	10	ChEMBL_2196552 (CHEMBL5109068)	Displacement of [3H-SAM] from N-terminal His-tagged human EZH2 preincubated for 15 min followed by substrate addition measured after 1 hr by absorbance based assay
50015894	11	ChEMBL_2196553 (CHEMBL5109069)	Displacement of [3H-SAM] from EZH2 in PRC2 complex (unknown origin) incubated for 1 hr by absorbance based assay
50015894	12	ChEMBL_2196558 (CHEMBL5109074)	Inhibition of EZH2 (494 to 737 residues) (unknown origin) expressed in Escherichia coli by AlphaLISA assay
50015894	13	ChEMBL_2196559 (CHEMBL5109075)	Inhibition of EZH1 (unknown origin)
50015894	14	ChEMBL_2196560 (CHEMBL5109076)	Inhibition of EZH2 in human HCT-116 cells assessed as inhibition of H3K27me3 incubated for 3 days by AlphaLISA assay
50015894	15	ChEMBL_2196561 (CHEMBL5109077)	Binding affinity to CM5 sensor chip immobilised EED (unknown origin) assessed as dissociation constant incubated for 270 secs by SPR analysis
50015895	1	ChEMBL_2196563 (CHEMBL5109079)	Inhibition of cGAS (unknown origin) incubated for 1 hr by Typhoon imaging system analysis
50015895	2	ChEMBL_2196565 (CHEMBL5109081)	Inhibition of cGAS (unknown origin)
50015895	3	ChEMBL_2196566 (CHEMBL5109082)	Inhibition of human (His6)-SUMO tagged cGAS expressed in Escherichia coli BL21-codonPlus(DE3)-RIL by ATP-biofluorescence assay
50015895	4	ChEMBL_2196567 (CHEMBL5109083)	Inhibition of human cGAS
50015895	5	ChEMBL_2196568 (CHEMBL5109084)	Inhibition of mouse cGAS
50015895	6	ChEMBL_2196576 (CHEMBL5109092)	Inhibition of cGAS in human THP-1 cells
50015895	7	ChEMBL_2196577 (CHEMBL5109093)	Binding affinity to cGAS (unknown origin) assessed as dissociation constant
50015896	1	ChEMBL_2196579 (CHEMBL5109095)	Binding affinity to human AChE assessed as inhibition constant
50015896	2	ChEMBL_2196580 (CHEMBL5109096)	Inhibition of BACE-1 (unknown origin)
50015896	3	ChEMBL_2196581 (CHEMBL5109097)	Inhibition of self-aggregation of amyloid beta (1 to 42) (unknown origin) by thioflavin T method
50015896	4	ChEMBL_2196582 (CHEMBL5109098)	Inhibition of human AChE-induced amyloid beta (1 to 40) aggregation (unknown origin)
50015896	5	ChEMBL_2196583 (CHEMBL5109099)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate incubated for 3 mins by spectrophotometry
50015896	6	ChEMBL_2196584 (CHEMBL5109100)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by Amplex Red assay
50015896	7	ChEMBL_2196585 (CHEMBL5109101)	Binding affinity to sigma1 receptor (unknown origin) assessed as inhibition constant
50015896	8	ChEMBL_2196587 (CHEMBL5109103)	Inhibition of AChE (unknown origin)
50015896	9	ChEMBL_2196588 (CHEMBL5109104)	Inhibition of BChE (unknown origin)
50015896	10	ChEMBL_2196589 (CHEMBL5109105)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50015896	11	ChEMBL_2196590 (CHEMBL5109106)	Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50015896	12	ChEMBL_2196592 (CHEMBL5109108)	Inhibition of equine serum BChE incubated for 15 mins by Ellman's method
50015896	13	ChEMBL_2196593 (CHEMBL5109109)	Inhibition of electric eel AChE using acetylthiocholine as substrate incubated for 15 mins by Ellman's method
50015896	14	ChEMBL_2196596 (CHEMBL5109112)	Binding affinity to 5-HT7 receptor (unknown origin) assessed as inhibition constant
50015896	15	ChEMBL_2196597 (CHEMBL5109113)	Binding affinity to 5-HT6 receptor (unknown origin) assessed as inhibition constant
50015896	16	ChEMBL_2196598 (CHEMBL5109114)	Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant
50015896	17	ChEMBL_2196599 (CHEMBL5109115)	Binding affinity to 5-HT2C receptor (unknown origin) assessed as inhibition constant
50015896	18	ChEMBL_2196600 (CHEMBL5109116)	Binding affinity to histamine H1 receptor (unknown origin) assessed as inhibition constant
50015896	19	ChEMBL_2196604 (CHEMBL5109120)	Inhibition of recombinant human NLRP3 ATPase activity preincubated for 15 mins followed by ATP addition measured after 40 mins by ADP-Glo Kinase assay
50015896	20	ChEMBL_2196605 (CHEMBL5109121)	Inhibition of BACE-1 (unknown origin) using methoxycoumarin-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lysdinitrophenyl as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by fluorescence based assay
50015896	21	ChEMBL_2196606 (CHEMBL5109122)	Inhibition of recombinant human GSK-3beta using prephosphorylated polypeptide substrate measured after 30 mins in presence of ATP by Kinase-Glo Luminescent assay
50015900	1	ChEMBL_2196692 (CHEMBL5109208)	Inhibition of electric eel AChE using acetylcholine iodide as a substrate incubated for 10 mins by DTNB reagent based Ellman's method
50015901	1	ChEMBL_2196714 (CHEMBL5109230)	Inhibition of SARS-CoV-2 PLpro
50015901	2	ChEMBL_2196716 (CHEMBL5109232)	Inhibition of SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3)-Gold strain using LKGGAMC as substrate preincubated for 5 mins followed by substrate addition measured after 5 secs by fluorescence based assay
50015901	3	ChEMBL_2196718 (CHEMBL5109234)	Inhibition of SARS-CoV-2 PLpro using Z-Arg-Leu-Arg-Gly-Gly-AMC acetate as substrate by fluorometric assay
50015901	4	ChEMBL_2196721 (CHEMBL5109237)	Inhibition of C-terminal His-tagged SARS-CoV-2 PLpro BetaCoV/Wuhan/WIV04/2019 strain (1564 to 1876 residues) expressed in Escherichia coli BL21(DE3) using FRET substrate measured after 3 hrs by enzymatic assay
50015901	5	ChEMBL_2196723 (CHEMBL5109239)	Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using HCC-RLRGG-NH(CH2)4NH-DABCYL probe as substrate incubated for 30 mins by enzymatic assay
50015901	6	ChEMBL_2196724 (CHEMBL5109240)	Inhibition of full-length SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using Ub-Rho as substrate incubated for 5 mins by enzymatic assay
50015902	1	ChEMBL_2196731 (CHEMBL5109247)	Inhibition of MARK4 (unknown origin) ATPase activity using ATP as substrate incubated for 1.5 hr in presence of MgCl2 by Biomol green reagent based ELISA
50015903	1	ChEMBL_2196738 (CHEMBL5109254)	Inhibition of BRAF V600E mutant (unknown origin) using MEK1 (K97R) as substrate in presence of [gamma-33P]ATP by radiometric assay
50015906	1	ChEMBL_2196775 (CHEMBL5109291)	Inhibition of DENV2 NS2B-NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate by spectrofluorometer analysis
50015906	2	ChEMBL_2196780 (CHEMBL5109296)	Inhibition of DENV2 NS2B-NS3 protease using Bz-Nle-Lys-Arg-Arg-AMC as substrate measured after 30 mins by spectrofluorometer analysis
50015907	1	ChEMBL_2196781 (CHEMBL5109297)	Binding affinity to LSD1 (unknown origin) assessed as inhibition constant
50015907	2	ChEMBL_2196782 (CHEMBL5109298)	Inhibition of LSD1 (unknown origin)
50015907	3	ChEMBL_2196785 (CHEMBL5109301)	Inhibition of recombinant LSD1 (unknown origin) incubated for 1 hr
50015907	4	ChEMBL_2196786 (CHEMBL5109302)	Inhibition of LSD1 (unknown origin) by KDM1A assay kit
50015907	5	ChEMBL_2196787 (CHEMBL5109303)	Inhibition of His tagged recombinant LSD1 (unknown origin) expressed in BL21 cells incubated for 10 mins followed by H3K4me2 peptide measured after 30 mins by fluorescence based assay
50015907	6	ChEMBL_2196788 (CHEMBL5109304)	Inhibition of LSD1 (unknown origin) by microplate reader method
50015908	1	ChEMBL_2196790 (CHEMBL5109306)	Displacement of 1,8-ANS from human recombinant FABP4 incubated for 4 mins by fluorescence based analysis
50015908	2	ChEMBL_2196791 (CHEMBL5109307)	Inhibition of human FABP4
50015908	3	ChEMBL_2196792 (CHEMBL5109308)	Inhibition of human FABP5
50015908	4	ChEMBL_2196793 (CHEMBL5109309)	Inhibition of FABP4 (unknown origin) incubated for 10 mins by fluorescence based analysis
50015909	1	ChEMBL_2196795 (CHEMBL5109311)	Inhibition of CYP46A1 (unknown origin)
50015909	2	ChEMBL_2196800 (CHEMBL5109316)	Displacement of [3H]-5HT from rat SERT expressed in CHO cells incubated for 20 mins by liquid scintillation analysis
50015910	1	ChEMBL_2196802 (CHEMBL5109318)	Inhibition of CDK12 (unknown origin) in presence of high ATP
50015910	2	ChEMBL_2196803 (CHEMBL5109319)	Irreversible inhibition of CDK13 (unknown origin)
50015910	3	ChEMBL_2196804 (CHEMBL5109320)	Inhibition of CDK12 (unknown origin)
50015910	4	ChEMBL_2196805 (CHEMBL5109321)	Inhibition of CDK2 (unknown origin)
50015910	5	ChEMBL_2196806 (CHEMBL5109322)	Inhibition of CDK9 (unknown origin) in presence of high ATP
50015910	6	ChEMBL_2196807 (CHEMBL5109323)	Inhibition of CDK7 (unknown origin) in presence of high ATP
50015910	7	ChEMBL_2196808 (CHEMBL5109324)	Inhibition of CDK2 (unknown origin) in presence of high ATP
50015910	8	ChEMBL_2196809 (CHEMBL5109325)	Inhibition of CDK1 (unknown origin) in presence of high ATP
50015910	9	ChEMBL_2196810 (CHEMBL5109326)	Inhibition of CDK1 (unknown origin)
50015910	10	ChEMBL_2196811 (CHEMBL5109327)	Inhibition of CDK7 (unknown origin)
50015910	11	ChEMBL_2196812 (CHEMBL5109328)	Inhibition of CDK9 (unknown origin)
50015910	12	ChEMBL_2196813 (CHEMBL5109329)	Inhibition of CK1 delta (unknown origin)
50015910	13	ChEMBL_2196814 (CHEMBL5109330)	Inhibition of CK1 epsilon (unknown origin)
50015910	14	ChEMBL_2196815 (CHEMBL5109331)	Inhibition of CDK13 (unknown origin)
50015910	15	ChEMBL_2196816 (CHEMBL5109332)	Inhibition of CDK8 (unknown origin)
50015910	16	ChEMBL_2196818 (CHEMBL5109334)	Inhibition of recombinant CDK12/CycK (unknown origin) using CTD as substrate incubated for 60 mins by Beckman scintillation counter analysis
50015910	17	ChEMBL_2196819 (CHEMBL5109335)	Inhibition of recombinant CDK1/CycB1 (unknown origin) using CTD as substrate incubated for 60 mins by Beckman scintillation counter analysis
50015910	18	ChEMBL_2196821 (CHEMBL5109337)	Inhibition of recombinant CDK4/CycD1 (unknown origin) using CTD as substrate incubated for 60 mins by Beckman scintillation counter analysis
50015910	19	ChEMBL_2196822 (CHEMBL5109338)	Inhibition of recombinant CDK9/CycT1 (unknown origin) using CTD as substrate incubated for 60 mins by Beckman scintillation counter analysis
50015910	20	ChEMBL_2196825 (CHEMBL5109341)	Inhibition of recombinant CDK2/CycA (unknown origin)
50015910	21	ChEMBL_2196826 (CHEMBL5109342)	Inhibition of recombinant CDK4/CycD1 (unknown origin)
50015910	22	ChEMBL_2196827 (CHEMBL5109343)	Inhibition of recombinant CDK5/p35 (unknown origin)
50015911	1	ChEMBL_2196837 (CHEMBL5109353)	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate pre-incubated for 5 mins followed by substrate addition and measured after 6 mins by Ellman's method
50015911	2	ChEMBL_2196845 (CHEMBL5109361)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pre-incubated for 5 mins followed by substrate addition and measured after 6 mins by Ellman's method
50015912	1	ChEMBL_2196851 (CHEMBL5109367)	Inhibition of TRKA (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	2	ChEMBL_2196852 (CHEMBL5109368)	Inhibition of TRKB (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	3	ChEMBL_2196853 (CHEMBL5109369)	Inhibition of TRKC (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	4	ChEMBL_2196856 (CHEMBL5109372)	Inhibition of FLT3 (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	5	ChEMBL_2196857 (CHEMBL5109373)	Inhibition of FMS (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	6	ChEMBL_2196858 (CHEMBL5109374)	Inhibition of FGFR1 (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	7	ChEMBL_2196859 (CHEMBL5109375)	Inhibition of KIT (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	8	ChEMBL_2196860 (CHEMBL5109376)	Inhibition of PDGFR-alpha (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015912	9	ChEMBL_2196861 (CHEMBL5109377)	Inhibition of PDGFR-beta (unknown origin) in presence of [gamma33P]ATP by radiometric HotSpot assay
50015914	1	ChEMBL_2196876 (CHEMBL5109392)	Inhibition of recombinant human FAK (393 to 698 residues) using poly (4:1 Glu, Tyr) peptide as substrate incubated for 60 mins in presence of ATP by ADP-Glo reagent based luminescent assay
50015915	1	ChEMBL_2196932 (CHEMBL5109448)	Inhibition of hERG
50015917	1	ChEMBL_2196957 (CHEMBL5109473)	Inhibition of human NaPi2b transfected in human KJMGER8 cells assessed as reduction in H2[33P]O4 uptake incubated for 60 mins by TopCount scintillation counting method
50015920	1	ChEMBL_2196969 (CHEMBL5109485)	Inhibition of COX-2 (unknown origin)
50015921	1	ChEMBL_2196989 (CHEMBL5109505)	Displacement of [3H]-LSD from human 5HT6 receptor expressed in CHO cells assessed as inhibition constant incubated for 120 mins by liquid scintillation counting analysis
50015922	1	ChEMBL_2197015 (CHEMBL5109531)	Inhibition of PRMT5 (unknown origin) using H2A and 3H-SAM as substrates preincubated for 20 mins followed by substrate addition incubated for 60 mins in presence of MTA by radiometric HotSpot assay
50015922	2	ChEMBL_2197017 (CHEMBL5109533)	Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5-mediated SDMA modification level incubated for 96 hrs by In-cell Western analysis
50015922	3	ChEMBL_2197018 (CHEMBL5109534)	Inhibition of PRMT5 methyltransferase activity in human HCT-116 cells expressing wild type MTAP assessed as inhibition of PRMT5-mediated SDMA modification level incubated for 96 hrs by In-cell Western analysis
50015923	1	ChEMBL_2197024 (CHEMBL5109540)	Inhibition of biotinylated Avi-tagged GDP-bound KRAS G12C mutant (1 to 185 residues) (unknown origin) assessed as inhibition of KRAS G12C mutant/SOS/GST-tagged c-Raf complex formation incubated for 1 hr and measured by fluorescence based assay
50015924	1	ChEMBL_2197058 (CHEMBL5109574)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric based Ellman's method
50015924	2	ChEMBL_2197059 (CHEMBL5109575)	Inhibition of equine serum BuChE using butyrylthiocholine as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric based Ellman's method
50015924	3	ChEMBL_2197071 (CHEMBL5109587)	Inhibition of Electrophorus electricus AchE assessed as inhibition constant
50015925	1	ChEMBL_2197084 (CHEMBL5109600)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate and measured by fluorometric assay
50015925	2	ChEMBL_2197085 (CHEMBL5109601)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate and measured by fluorometric assay
50015927	1	ChEMBL_2197098 (CHEMBL5109614)	Inhibition of jack bean alpha-mannosidase
50015930	1	ChEMBL_2197227 (CHEMBL5109743)	Inhibition of human SIRT5 using fluorogenic substrate preincubated for 1 hr in presence of NAD followed by substrate addition and measured after 15 to 30 mins by trypsin-coupled fluorescence plate reader analysis
50015932	1	ChEMBL_2197332 (CHEMBL5109848)	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 1 hr by microplate beta scintillation counting based radioligand inhibition assay
50015934	1	ChEMBL_2197334 (CHEMBL5109850)	Inhibition of Mycobacterium tuberculosis FAAL32 using AMPC12 as substrate incubated for 50 mins and measured by spectrophotometric assay
50015936	1	ChEMBL_2197337 (CHEMBL5109853)	Binding affinity to Wistar rat cortex membrane homogenate 5-HT2A receptor incubated for 90 mins by liquid scintillation counter analysis
50015936	2	ChEMBL_2197338 (CHEMBL5109854)	Binding affinity to 5-HT1A receptor (unknown origin) assessed as dissociation constant
50015936	3	ChEMBL_2197339 (CHEMBL5109855)	Binding affinity to 5-HT1A receptor in human HeLa cell membrane assessed as inhibition constant by Packard top-counter analysis
50015936	4	ChEMBL_2197342 (CHEMBL5109858)	Binding affinity to 5-HT7 receptor (unknown origin) assessed as inhibition constant
50015936	5	ChEMBL_2197343 (CHEMBL5109859)	Binding affinity to D4 receptor (unknown origin) assessed as inhibition constant
50015936	6	ChEMBL_2197344 (CHEMBL5109860)	Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat hippocampal membrane 5HT1A receptor incubated for 10 mins by liquid scintillation analysis
50015936	7	ChEMBL_2197346 (CHEMBL5109862)	Binding affinity to D4 receptor (unknown origin) assessed as dissociation constant
50015936	8	ChEMBL_2197347 (CHEMBL5109863)	Binding affinity to alpha 1A adrenergic receptor (unknown origin) assessed as inhibition constant
50015936	9	ChEMBL_2197348 (CHEMBL5109864)	Binding affinity to 5-HT1A receptor (unknown origin) assessed as inhibition constant
50015936	10	ChEMBL_2197350 (CHEMBL5109866)	Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat hippocampal membrane 5HT1A receptor
50015936	11	ChEMBL_2197354 (CHEMBL5109870)	Binding affinity to 5-HT2B receptor (unknown origin) assessed as inhibition constant
50015936	12	ChEMBL_2197355 (CHEMBL5109871)	Binding affinity to 5-HT1D receptor (unknown origin) assessed as inhibition constant
50015936	13	ChEMBL_2197359 (CHEMBL5109875)	Displacement of [3H]-8-OH-DPAT from rat hippocampal membrane 5HT1A receptor
50015936	14	ChEMBL_2197364 (CHEMBL5109880)	Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor
50015936	15	ChEMBL_2197374 (CHEMBL5109890)	Displacement of [3H]-8-OH-DPAT from rat hippocampal membrane 5HT1A receptor by CEREP assay
50015936	16	ChEMBL_2197377 (CHEMBL5109893)	Inhibition of alpha 1A adrenergic receptor (unknown origin)
50015936	17	ChEMBL_2197385 (CHEMBL5109901)	Binding affinity to rat brain homogenate 5-HT1A receptor assessed as dissociation constant
50015936	18	ChEMBL_2197386 (CHEMBL5109902)	Binding affinity to rat brain homogenate D2 receptor assessed as dissociation constant
50015936	19	ChEMBL_2197387 (CHEMBL5109903)	Binding affinity to rat brain homogenate SERT receptor assessed as dissociation constant
50015936	20	ChEMBL_2197388 (CHEMBL5109904)	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)
50015936	21	ChEMBL_2197390 (CHEMBL5109906)	Binding affinity to human 5-HT1A receptor expressed in CHO cells assessed as inhibition constant
50015936	22	ChEMBL_2197391 (CHEMBL5109907)	Binding affinity to human D4 receptor expressed in CHO cells assessed as inhibition constant
50015936	23	ChEMBL_2197392 (CHEMBL5109908)	Binding affinity to human 5-HT2B receptor expressed in CHO cells assessed as inhibition constant
50015936	24	ChEMBL_2197393 (CHEMBL5109909)	Binding affinity to human 5-HT1D receptor expressed in CHO cells assessed as inhibition constant
50015936	25	ChEMBL_2197394 (CHEMBL5109910)	Binding affinity to human alpha 1A adrenergic receptor expressed in CHO cells assessed as inhibition constant
50015936	26	ChEMBL_2197402 (CHEMBL5109918)	Binding affinity to 5-HT1A receptor (unknown origin) assessed as inhibition constant by scintillation spectroscopic analysis
50015936	27	ChEMBL_2197403 (CHEMBL5109919)	Binding affinity to guinea pig 5-HT1B receptor assessed as inhibition constant by autoradiographic analysis
50015936	28	ChEMBL_2197404 (CHEMBL5109920)	Binding affinity to guinea pig 5-HT1B receptor assessed as dissociation constant by autoradiographic analysis
50015936	29	ChEMBL_2197417 (CHEMBL5109933)	Inhibition of 5-HT1A receptor (unknown origin)
50015936	30	ChEMBL_2197418 (CHEMBL5109934)	Displacement of [3H]-spiperone from rat striatum D2 receptor
50015936	31	ChEMBL_2197419 (CHEMBL5109935)	Displacement of [3H]-spiperone from rat frontal cortex 5-HT2 receptor
50015936	32	ChEMBL_2197420 (CHEMBL5109936)	Displacement of [3H]prazosin from rat cerebral cortex alpha1 adrenergic receptor
50015936	33	ChEMBL_2197421 (CHEMBL5109937)	Binding affinity to rat frontal cortex homogenate 5-HT2A by ketanserin assay
50015936	34	ChEMBL_2197422 (CHEMBL5109938)	Binding affinity to human frontal cortex homogenate 5-HT2A by ketanserin assay
50015936	35	ChEMBL_2197423 (CHEMBL5109939)	Binding affinity to cerebrum 5-HT2 receptor (unknown origin)
50015936	36	ChEMBL_2197426 (CHEMBL5109942)	Displacement of [3H]-spiperone from rat frontal cortex membrane homogenate D2 receptor
50015936	37	ChEMBL_2197427 (CHEMBL5109943)	Displacement of [3H]-prazosin from rat whole cortex membrane homogenate alpha 1 adrenergic receptor
50015936	38	ChEMBL_2197428 (CHEMBL5109944)	Binding affinity to 5-HT2A (unknown origin) assessed as inhibition constant
50015936	39	ChEMBL_2197429 (CHEMBL5109945)	Binding affinity to 5-HT2C (unknown origin) assessed as inhibition constant
50015936	40	ChEMBL_2197430 (CHEMBL5109946)	Binding affinity to 5-HT2 receptor (unknown origin) assessed as dissociation constant
50015936	41	ChEMBL_2197431 (CHEMBL5109947)	Binding affinity to rat cerebral cortex homogenate 5-HT2 receptor assessed as inhibition constant
50015936	42	ChEMBL_2197432 (CHEMBL5109948)	Binding affinity to rat cerebral cortex homogenate alpha 1 adrenergic receptor assessed as inhibition constant
50015936	43	ChEMBL_2197434 (CHEMBL5109950)	Binding affinity to human 5-HT2A transfected in human tsA201 cells assessed as inhibition constant incubated for 2 hrs by scintillation counter analysis
50015936	44	ChEMBL_2197435 (CHEMBL5109951)	Binding affinity to rat frontal cortex homogenate membrane 5-HT2A receptor incubated for 10 mins
50015936	45	ChEMBL_2197436 (CHEMBL5109952)	Binding affinity to rat striatum homogenate membrane D2 receptor incubated for 10 mins
50015936	46	ChEMBL_2197437 (CHEMBL5109953)	Binding affinity to guinea pig cerebellum homogenate membrane H1 receptor incubated for 30 mins
50015936	47	ChEMBL_2197438 (CHEMBL5109954)	Binding affinity to rat forebrain homogenate membrane alpha 1 adrenergic receptor incubated for 10 mins
50015936	48	ChEMBL_2197441 (CHEMBL5109957)	Displacement of [3H]-Ketanserin from rat frontal cortex 5-HT2A receptor
50015936	49	ChEMBL_2197442 (CHEMBL5109958)	Displacement of [3H]-WB4101 from rat forebrain alpha 1 adrenergic receptors
50015936	50	ChEMBL_2197443 (CHEMBL5109959)	Displacement of [3H]-halopridol from rat striatum D2 receptors
50015936	51	ChEMBL_2197447 (CHEMBL5109963)	Displacement of [3H]-spiperone from rat frontal cortex homogenate 5-HT2A receptor
50015936	52	ChEMBL_2197448 (CHEMBL5109964)	Displacement of [3H]-haloperidol from rat striatal homogenate D2 receptor
50015936	53	ChEMBL_2197449 (CHEMBL5109965)	Displacement of [3H]-WB4101 from rat forebrain homogenate alpha 1 adrenergic receptor
50015936	54	ChEMBL_2197455 (CHEMBL5109971)	Binding affinity to human brain homogenate 5-HT2A assessed as dissociation constant by quantitative autoradiographic analysis
50015936	55	ChEMBL_2197460 (CHEMBL5109976)	Binding affinity to human 5-HT2C assessed as inhibition constant
50015936	56	ChEMBL_2197463 (CHEMBL5109979)	Displacement of [3H]-spiperone from rat striatal membrane D2 receptor
50015936	57	ChEMBL_2197464 (CHEMBL5109980)	Displacement of [3H]-Ketanserin from rat cortical membrane 5-HT2A receptor
50015936	58	ChEMBL_2197465 (CHEMBL5109981)	Displacement of [3H]prazosin from rat whole brain alpha1 adrenergic receptor
50015936	59	ChEMBL_2197466 (CHEMBL5109982)	Displacement of [3H]-Ketanserin from rat cortical membrane 5-HT2 receptor
50015936	60	ChEMBL_2197467 (CHEMBL5109983)	Antagonist activity at human 5-HT2A receptor incubated for 3 hrs by radioligand binding assay
50015936	61	ChEMBL_2197468 (CHEMBL5109984)	Inverse agonist activity at human 5-HT2A receptor incubated for 3 hrs by radioligand binding assay
50015936	62	ChEMBL_2197469 (CHEMBL5109985)	Antagonist activity at rat 5-HT2A receptor
50015936	63	ChEMBL_2197470 (CHEMBL5109986)	Binding affinity to rat frontal cortex 5-HT2A assessed as inhibition constant
50015936	64	ChEMBL_2197471 (CHEMBL5109987)	Binding affinity to rat frontal cortex 5-HT2A assessed as dissociation constant
50015936	65	ChEMBL_2197474 (CHEMBL5109990)	Inverse agonist activity at 5-HT2A receptor (unknown origin)
50015936	66	ChEMBL_2197475 (CHEMBL5109991)	Inverse agonist activity at 5-HT2C receptor (unknown origin)
50015936	67	ChEMBL_2197476 (CHEMBL5109992)	Binding affinity to rat 5-HT2A assessed as inhibition constant by liquid scintillation counter analysis
50015936	68	ChEMBL_2197477 (CHEMBL5109993)	Binding affinity to 5-HT2B (unknown origin) assessed as inhibition constant by liquid scintillation counter analysis
50015936	69	ChEMBL_2197478 (CHEMBL5109994)	Binding affinity to 5-HT2C (unknown origin) assessed as inhibition constant by liquid scintillation counter analysis
50015936	70	ChEMBL_2197481 (CHEMBL5109997)	Binding affinity to human 5-HT2A assessed as inhibition constant
50015936	71	ChEMBL_2197482 (CHEMBL5109998)	Agonist activity at 5-HT1A receptor (unknown origin) transfected in HEK293 cells by calcium flux assay
50015936	72	ChEMBL_2197483 (CHEMBL5109999)	Displacement of [3H]-mesulergine from 5-HT2C (unknown origin) assessed as inhibition constant by radioligand competitive binding assay
50015936	73	ChEMBL_2197484 (CHEMBL5110000)	Displacement of [3H]-mesulergine from 5-HT1A (unknown origin) assessed as inhibition constant by radioligand competitive binding assay
50015936	74	ChEMBL_2197485 (CHEMBL5110001)	Displacement of [3H]-mesulergine from 5-HT2B (unknown origin) assessed as inhibition constant by radioligand competitive binding assay
50015936	75	ChEMBL_2197491 (CHEMBL5110007)	Binding affinity to human recombinant 5-HT2C expressed in HEK293 cells assessed as inhibition constant by radioligand binding assay
50015936	76	ChEMBL_2197492 (CHEMBL5110008)	Binding affinity to human recombinant 5-HT2B expressed in HEK293 cells assessed as inhibition constant by radioligand binding assay
50015936	77	ChEMBL_2197495 (CHEMBL5110011)	Binding affinity to 5-HT4 receptor (unknown origin) assessed as inhibition constant
50015936	78	ChEMBL_2197497 (CHEMBL5110013)	Binding affinity to 5-HT4 receptor (unknown origin) assessed as dissociation constant
50015936	79	ChEMBL_2197498 (CHEMBL5110014)	Binding affinity to human recombinant 5-HT6 receptor assessed as inhibition constant
50015936	80	ChEMBL_2197502 (CHEMBL5110018)	Binding affinity to human recombinant 5-HT2A assessed as inhibition constant
50015936	81	ChEMBL_2197503 (CHEMBL5110019)	Binding affinity to 5-HT6 receptor (unknown origin) assessed as inhibition constant
50015936	82	ChEMBL_2197506 (CHEMBL5110022)	Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells assessed as inhibition constant
50015936	83	ChEMBL_2197507 (CHEMBL5110023)	Binding affinity to human recombinant 5-HT1A expressed in CHO cells assessed as inhibition constant
50015936	84	ChEMBL_2197508 (CHEMBL5110024)	Binding affinity to rat brain 5-HT7 receptor assessed as inhibition constant incubated for 60 mins
50015936	85	ChEMBL_2197509 (CHEMBL5110025)	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50015936	86	ChEMBL_2197510 (CHEMBL5110026)	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50015936	87	ChEMBL_2197511 (CHEMBL5110027)	Binding affinity to human recombinant 5-HT7 receptor assessed as inhibition constant
50015936	88	ChEMBL_2197512 (CHEMBL5110028)	Binding affinity to rat 5-HT7 receptor assessed as inhibition constant
50015936	89	ChEMBL_2197513 (CHEMBL5110029)	Binding affinity to 5-HT7 receptor (unknown origin)
50015936	90	ChEMBL_2197514 (CHEMBL5110030)	Binding affinity to human 5-HT7 receptor expressed in HEK293F cells assessed as inhibition constant by HTRF assay
50015936	91	ChEMBL_2197515 (CHEMBL5110031)	Binding affinity to human 5-HT7 receptor transfected by pcDNA3.1(+) vector in HEK293 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50015936	92	ChEMBL_2197517 (CHEMBL5110033)	Binding affinity to human 5-HT2B assessed as inhibition constant
50015936	93	ChEMBL_2197518 (CHEMBL5110034)	Binding affinity to human 5-HT1D expressed in CHO cells assessed as inhibition constant incubated for 1 hr by Cheng-Prusoff equation analysis
50015936	94	ChEMBL_2197519 (CHEMBL5110035)	Binding affinity to human 5-HT1F assessed as inhibition constant incubated for 10 mins by radioligand binding assay
50015936	95	ChEMBL_2197520 (CHEMBL5110036)	Binding affinity to human 5-HT1F assessed as inhibition constant
50015936	96	ChEMBL_2197521 (CHEMBL5110037)	Binding affinity to 5-HT1F (unknown origin) assessed as inhibition constant
50015936	97	ChEMBL_2197522 (CHEMBL5110038)	Binding affinity to 5-HT2B (unknown origin) assessed as inhibition constant
50015936	98	ChEMBL_2197523 (CHEMBL5110039)	Binding affinity to human 5-HT2B assessed as inhibition constant in microplate beta scintillation counter analysis
50015936	99	ChEMBL_2197524 (CHEMBL5110040)	Binding affinity to 5-HT1A (unknown origin) assessed as inhibition constant
50015936	100	ChEMBL_2197525 (CHEMBL5110041)	Binding affinity to 5-HT1B (unknown origin) assessed as inhibition constant
50015936	101	ChEMBL_2197526 (CHEMBL5110042)	Binding affinity to 5-HT1D (unknown origin) assessed as inhibition constant
50015936	102	ChEMBL_2197527 (CHEMBL5110043)	Binding affinity to 5-HT5A receptor (unknown origin) assessed as inhibition constant
50015937	1	ChEMBL_2197569 (CHEMBL5110085)	Inhibition of ALK (unknown origin) incubated for 1 hr and measured by mobility shift assay
50015937	2	ChEMBL_2197570 (CHEMBL5110086)	Inhibition of ALK L1196M mutant (unknown origin) incubated for 1 hr and measured by mobility shift assay
50015937	3	ChEMBL_2197571 (CHEMBL5110087)	Inhibition of ALK G1202R mutant (unknown origin) incubated for 1 hr and measured by mobility shift assay
50015937	4	ChEMBL_2197572 (CHEMBL5110088)	Inhibition of EGFR (unknown origin) incubated for 1 hr and measured by mobility shift assay
50015939	1	ChEMBL_2197604 (CHEMBL5110120)	Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate and measured by fluorometric method
50015939	2	ChEMBL_2197605 (CHEMBL5110121)	Inhibition of HDAC1 in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(triflouroacetyl)-AMC as substrate incubated for 30 mins and measured by fluorescence assay
50015939	3	ChEMBL_2197606 (CHEMBL5110122)	Inhibition of HDAC6 in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(triflouroacetyl)-AMC as substrate incubated for 30 mins and measured by fluorescence assay
50015939	4	ChEMBL_2197607 (CHEMBL5110123)	Inhibition of HDAC8 in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(triflouroacetyl)-AMC as substrate incubated for 30 mins and measured by fluorescence assay
50015940	1	ChEMBL_2197637 (CHEMBL5110153)	Inhibition of bovine pancreatic RNase A assessed as reduction in CpG cleavage by spectrophotometric analysis
50015940	2	ChEMBL_2197638 (CHEMBL5110154)	Inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis
50015940	3	ChEMBL_2197640 (CHEMBL5110156)	Non-competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis
50015940	4	ChEMBL_2197641 (CHEMBL5110157)	Competitive inhibition of bovine pancreatic RNase A using 2',3'-cCMP as substrate by Lineweaver-Burk plot analysis
50015942	1	ChEMBL_2197665 (CHEMBL5110181)	Inhibition of STAT3 (unknown origin) binding to DNA incubated for 30 mins by EMSA analysis
50015942	2	ChEMBL_2197666 (CHEMBL5110182)	Inhibition of STAT3 (unknown origin) binding to DNA by EMSA analysis
50015943	1	ChEMBL_2197669 (CHEMBL5110185)	Inhibition of N-terminal hexa-histidine tagged human TDO (19 to 388 residues) expressed in Escherichia coli Transetta (DE3) using L-tryptophan as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 to 60 mins by microplate reader analysis
50015943	2	ChEMBL_2197672 (CHEMBL5110188)	Inhibition of N-terminal hexa-histidine tagged human IDO1 (12 to 403 residues) expressed in Escherichia coli Transetta (DE3) using L-tryptophan as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 30 to 60 mins by microplate reader analysis
50015943	3	ChEMBL_2197674 (CHEMBL5110190)	Inhibition of TDO in HEK293-A cells transfected with pCMV-TDO2
50015943	4	ChEMBL_2197711 (CHEMBL5110227)	Inhibition of human IDO1
50015943	5	ChEMBL_2197712 (CHEMBL5110228)	Inhibition of human TDO
50015944	1	ChEMBL_2197773 (CHEMBL5110289)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes by microbeta scintillation counting method
50015944	2	ChEMBL_2197774 (CHEMBL5110290)	Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes incubated for 90 mins measured by MicroBeta scintillation counter method
50015944	3	ChEMBL_2197776 (CHEMBL5110292)	Agonist activity at human MOR expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 45 mins by cAMP HTRF assay
50015944	4	ChEMBL_2197778 (CHEMBL5110294)	Partial agonist activity at human MOR expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 45 mins by cAMP HTRF assay
50015944	5	ChEMBL_2197829 (CHEMBL5110345)	Binding affinity to sigma2 receptor (unknown origin) measured by radioligand binding assay
50015947	1	ChEMBL_2197868 (CHEMBL5110384)	Inhibition of MDM4 (unknown origin)
50015947	2	ChEMBL_2197869 (CHEMBL5110385)	Inhibition of MDM2 (unknown origin)
50015953	1	ChEMBL_2197905 (CHEMBL5110421)	Inhibition of Pseudomonas aeruginosa PAO1 LasR co-transfected with LVAgfp reporter assessed as inhibition of GFP production measured after 12 to 24 hrs by fluorescence based analysis
50015953	2	ChEMBL_2197906 (CHEMBL5110422)	Inhibition of Pseudomonas aeruginosa PAO1 RhlR co-transfected with LVAgfp reporter assessed as inhibition of GFP production measured after 12 to 24 hrs by fluorescence based analysis
50015953	3	ChEMBL_2197907 (CHEMBL5110423)	Inhibition of Pseudomonas aeruginosa PAO-JP2 LasR co-transfected with LVAgfp reporter assessed as inhibition of GFP production by fluorescence based analysis
50015953	4	ChEMBL_2197908 (CHEMBL5110424)	Inhibition of Pseudomonas aeruginosa PAO-JG21 LasR co-transfected with LVAgfp reporter assessed as inhibition of GFP production by fluorescence based analysis
50015953	5	ChEMBL_2197926 (CHEMBL5110442)	Inhibition of Pseudomonas aeruginosa PAO1 LasR
50015953	6	ChEMBL_2197927 (CHEMBL5110443)	Inhibition of Pseudomonas aeruginosa PAO1 RhlR
50015956	1	ChEMBL_2197932 (CHEMBL5110448)	Inhibition of TRKA F589L mutant (unknown origin) using TK-sub-biotin peptide as substrate incubated for 30 mins followed by treated with ATP and substrate for 40 mins by FRET-based-Z'-lyte kinase assay
50015956	2	ChEMBL_2197933 (CHEMBL5110449)	Inhibition of TRKA G595R mutant (unknown origin) using TK-sub-biotin peptide as substrate incubated for 30 mins followed by treated with ATP and substrate for 40 mins by FRET-based-Z'-lyte kinase assay
50015956	3	ChEMBL_2197934 (CHEMBL5110450)	Inhibition of wild type TRKA (unknown origin) using TK-sub-biotin peptide as substrate incubated for 30 mins followed by treated with ATP and substrate for 40 mins by FRET-based-Z'-lyte kinase assay
50015958	1	ChEMBL_2198009 (CHEMBL5110525)	Agonist activity at STING in human THP1-Dual cells assessed as ISG pathway activation incubated for 24 hrs by Quanti-Luc or Quanti-blue reagent based luminescence assay
50015958	2	ChEMBL_2198046 (CHEMBL5110562)	Agonist activity at human wild type haplotype STING in human PBMC cells assessed as increase in IFN-beta secretion incubated for 3 hrs by luminescence based analysis
50015958	3	ChEMBL_2198049 (CHEMBL5110565)	Agonist activity at STING in human THP-1 cells assessed as increase in IFN-beta secretion incubated for 5 hrs by AlphaLISA assay
50015960	1	ChEMBL_2198131 (CHEMBL5110647)	Inhibition of recombinant human EGFR incubated for 40 to 45 mins and measured after 15 mins by Kinase-Glo Max assay
50015960	2	ChEMBL_2198132 (CHEMBL5110648)	Inhibition of recombinant human HER2 incubated for 40 to 45 mins and measured after 15 mins by Kinase-Glo Max assay
50015960	3	ChEMBL_2198133 (CHEMBL5110649)	Inhibition of recombinant human DHFR expressed in Escherichia coli incubated for 15 mins and measured by ELISA
50015964	1	ChEMBL_2198154 (CHEMBL5110670)	Displacement of EL red from human full-length ER-beta by fluorescence polarization assay
50015964	2	ChEMBL_2198155 (CHEMBL5110671)	Displacement of EL red from human full-length ER-alpha by fluorescence polarization assay
50015964	3	ChEMBL_2198156 (CHEMBL5110672)	Agonist activity at human ER-beta transfected in African green monkey COS-7 cells measured after 24 hrs by Steady-Glo luciferase assay
50015964	4	ChEMBL_2198157 (CHEMBL5110673)	Inhibition of aromatase in human breast tumor
50015964	5	ChEMBL_2198158 (CHEMBL5110674)	Inhibition of aromatase in rat mammary tumor
50015964	6	ChEMBL_2198160 (CHEMBL5110676)	Agonist activity at human ER-alpha transfected in African green monkey COS-7 cells measured after 24 hrs by Steady-Glo luciferase assay
50015964	7	ChEMBL_2198161 (CHEMBL5110677)	Agonist activity at human ER-alpha ligand binding domain transfected in African green monkey COS-7 cells incubated for overnight by Dual-Glo luciferase assay
50015964	8	ChEMBL_2198162 (CHEMBL5110678)	Agonist activity at human ER-beta ligand binding domain transfected in African green monkey COS-7 cells incubated for overnight by Dual-Glo luciferase assay
50015964	9	ChEMBL_2198163 (CHEMBL5110679)	Agonist activity at ER-beta (unknown origin)
50015964	10	ChEMBL_2198164 (CHEMBL5110680)	Agonist activity at human ER-beta transfected in HEC-1 cells assessed as transcriptional activation incubated for 24 hrs by dual luciferase reporter assay
50015964	11	ChEMBL_2198165 (CHEMBL5110681)	Displacement of EL red from human full-length ER-alpha expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization assay
50015964	12	ChEMBL_2198166 (CHEMBL5110682)	Displacement of EL red from human full-length ER-beta expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization assay
50015964	13	ChEMBL_2198167 (CHEMBL5110683)	Inhibition of aromatase in human placental microsomes
50015964	14	ChEMBL_2198168 (CHEMBL5110684)	Inhibition of estrone sulfatase in human MCF7 cells assessed as inhibition of [3H]estrone and [3H]estradiol formation using [3H]estrone sulfate as substrate incubated for 20 hrs
50015964	15	ChEMBL_2198169 (CHEMBL5110685)	Inhibition of STS in human placental microsomes
50015964	16	ChEMBL_2198170 (CHEMBL5110686)	Agonist activity at GPER (unknown origin)
50015964	17	ChEMBL_2198171 (CHEMBL5110687)	Modulation of ER-alpha (unknown origin)
50015964	18	ChEMBL_2198172 (CHEMBL5110688)	Modulation of ER-beta (unknown origin)
50015971	1	ChEMBL_2198263 (CHEMBL5110779)	Inhibition of CYP3A4 (unknown origin) in presence of NADPH
50015971	2	ChEMBL_2198264 (CHEMBL5110780)	Inhibition of CYP3A4 (unknown origin)
50015972	1	ChEMBL_2198286 (CHEMBL5110802)	Inhibition of DNA topoisomerase 2 alpha (unknown origin) measured by topoisomerase-mediated DNA relaxation assay
50015972	2	ChEMBL_2198287 (CHEMBL5110803)	Inhibition of c-Met (unknown origin)
50015972	3	ChEMBL_2198288 (CHEMBL5110804)	Inhibition of Hsp90alpha (unknown origin)
50015972	4	ChEMBL_2198289 (CHEMBL5110805)	Inhibition of COX-2 (unknown origin)
50015973	1	ChEMBL_2198434 (CHEMBL5110950)	Binding affinity to N-terminal His tagged recombinant human KRAS G12C mutant (2 to 186 residues) expressed in Escherichia coli assessed as dissociation constant by ITC analysis
50015977	1	ChEMBL_2198489 (CHEMBL5111005)	Binding affinity to Keap1 (unknown origin) assessed as dissociation constant by calorimetric analysis
50015977	2	ChEMBL_2198490 (CHEMBL5111006)	Inhibition of Keap1 (unknown origin) by ELISA analysis
50015977	3	ChEMBL_2198491 (CHEMBL5111007)	Binding affinity to SHH (unknown origin) assessed as dissociation constant by calorimetric analysis
50015977	4	ChEMBL_2198496 (CHEMBL5111012)	Inhibition of human His-Avi-TEV-tagged KRAS G12D mutant expressed in Escherichia coli BL21(DE3) by TR-FRET assay
50015977	5	ChEMBL_2198497 (CHEMBL5111013)	Inhibition of FITC-labeled Tcf4 (unknown origin) / full length beta-catenin (1 to 781 residues) (unknown origin) protein-protein interaction measured after 1 hr by fluorescence polarization assay
50015977	6	ChEMBL_2198500 (CHEMBL5111016)	Binding affinity to FITC-labeled Tcf4 (unknown origin) /6His-tagged beta-catenin (135 to 668 residues) (unknown origin) protein-protein interaction assessed as inhibition constant by fluorescence polarization assay
50015977	7	ChEMBL_2198501 (CHEMBL5111017)	Inhibition of HDAC6 (unknown origin)
50015977	8	ChEMBL_2198503 (CHEMBL5111019)	Inhibition of MDM2 (unknown origin) by Fluorescence polarization assay
50015977	9	ChEMBL_2198504 (CHEMBL5111020)	Binding affinity to MDM2 (unknown origin) by surface plasmon resonance analysis
50015978	1	ChEMBL_2198507 (CHEMBL5111023)	Inhibition of VISTA in human PBMC
50015978	2	ChEMBL_2198508 (CHEMBL5111024)	Inhibition of VISTA (unknown origin) by ELISA method
50015978	3	ChEMBL_2198510 (CHEMBL5111026)	Inhibition of VISTA (unknown origin)
50015978	4	ChEMBL_2198511 (CHEMBL5111027)	Binding affinity to VISTA (unknown origin) assessed as dissociation constant by MST method
50015978	5	ChEMBL_2198512 (CHEMBL5111028)	Binding affinity to human VSIG8 assessed as dissociation constant by MST method
50015978	6	ChEMBL_2198515 (CHEMBL5111031)	Binding affinity to VISTA (unknown origin) assessed as dissociation constant
50015980	1	ChEMBL_2198745 (CHEMBL5111261)	Inhibition of human BChE using butyrylthiocholineiodide as substrate preincubated for 20 mins followed by substrate addition and measured every 30 sec for 3 mins by DTNB-based UV analysis
50015980	2	ChEMBL_2198746 (CHEMBL5111262)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 30 sec for 3 mins by DTNB-based UV analysis
50015980	3	ChEMBL_2198755 (CHEMBL5111271)	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK cells incubated for 3 hrs by competitive assay
50015980	4	ChEMBL_2198760 (CHEMBL5111276)	Pseduo-irreversible inhibition of human BChE using butyrylthiocholineiodide as substrate preincubated for 30 mins followed by substrate addition and measured for 2.5 mins by DTNB reagent based Ellman's method
50015980	5	ChEMBL_2198761 (CHEMBL5111277)	Pseudo-irreversible inhibition of human AChE using acetylthiocholineiodide as substrate preincubated for 30 mins followed by substrate addition and measured for 2.5 mins by DTNB reagent based Ellman's method
50015980	6	ChEMBL_2198762 (CHEMBL5111278)	Pseudo-irreversible inhibition of human BChE using butyrylthiocholineiodide as substrate preincubated for 20 to 60 mins followed by substrate addition and measured for 5 mins by DTNB reagent based Ellman's method
50015980	7	ChEMBL_2198763 (CHEMBL5111279)	Pseudo-irreversible inhibition of human AChE using acetylthiocholineiodide as substrate preincubated for 20 to 60 mins followed by substrate addition and measured for 5 mins by DTNB reagent based Ellman's method
50015981	1	ChEMBL_2198769 (CHEMBL5111285)	Inhibition of human recombinant STAT3 (127 to 722 residues) transcriptional activity expressed in HEK293T cells in presence of IL-6 by Dual-luciferase reporter gene assay
50015981	2	ChEMBL_2198792 (CHEMBL5111308)	Binding affinity to human STAT3 (127 to 722 residues) assessed as dissociation constant by MST assay
50015981	3	ChEMBL_2198793 (CHEMBL5111309)	Binding affinity to human STAT3-SH2 domain (127 to 722 residues) assessed as dissociation constant by MST assay
50015981	4	ChEMBL_2198798 (CHEMBL5111314)	Inhibition of JAK1 (unknown origin)
50015981	5	ChEMBL_2198799 (CHEMBL5111315)	Inhibition of JAK2 (unknown origin)
50015981	6	ChEMBL_2198800 (CHEMBL5111316)	Inhibition of EGFR (unknown origin)
50015981	7	ChEMBL_2198801 (CHEMBL5111317)	Inhibition of SRC (unknown origin)
50015981	8	ChEMBL_2198802 (CHEMBL5111318)	Inhibition of ERK1 (unknown origin)
50015981	9	ChEMBL_2198803 (CHEMBL5111319)	Inhibition of JNK1 (unknown origin)
50015981	10	ChEMBL_2198804 (CHEMBL5111320)	Inhibition of p38delta (unknown origin)
50015981	11	ChEMBL_2198867 (CHEMBL5111383)	Inhibition of CYP1A2 in human liver microsome
50015981	12	ChEMBL_2198868 (CHEMBL5111384)	Inhibition of CYP2C9 in human liver microsome
50015981	13	ChEMBL_2198869 (CHEMBL5111385)	Inhibition of CYP2C19 in human liver microsome
50015981	14	ChEMBL_2198870 (CHEMBL5111386)	Inhibition of CYP2D6 in human liver microsome
50015981	15	ChEMBL_2198871 (CHEMBL5111387)	Inhibition of CYP3A4 in human liver microsome
50015983	1	ChEMBL_2198931 (CHEMBL5111447)	Inhibition of human wild type partial length PIKfyve (F1512 to C2098 residues) expressed in mammalian expression system by Kinomescan assay
50015983	2	ChEMBL_2198932 (CHEMBL5111448)	Inhibition of human wild type TAOK1 (M1 to A320 residues) expressed in mammalian expression system by Kinomescan assay
50015983	3	ChEMBL_2198933 (CHEMBL5111449)	Inhibition of human wild type partial length TAOK3 (M1 to T316 residues) expressed in mammalian expression system by Kinomescan assay
50015983	4	ChEMBL_2198934 (CHEMBL5111450)	Inhibition of human wild type partial length PAK6 (N298 to C681 residues) expressed in bacterial expression system by Kinomescan assay
50015983	5	ChEMBL_2198935 (CHEMBL5111451)	Inhibition of human wild type partial length TAOK2 (M1 to A320 residues) expressed in mammalian expression system by Kinomescan assay
50015983	6	ChEMBL_2198936 (CHEMBL5111452)	Inhibition of wild-type human full length TSSK3 (M1 to T268 residues) expressed in mammalian expression system by Kinomescan method
50015983	7	ChEMBL_2198937 (CHEMBL5111453)	Inhibition of human wild type partial length PAK5 (Y400 to H719 residues) expressed in bacterial expression system by Kinomescan assay
50015983	8	ChEMBL_2198938 (CHEMBL5111454)	Inhibition of human wild type partial length PAK4 (Q144 to R438 residues) expressed in bacterial expression system by Kinomescan assay
50015983	9	ChEMBL_2198939 (CHEMBL5111455)	Inhibition of human wild type TSSK1
50015983	10	ChEMBL_2198940 (CHEMBL5111456)	Inhibition of human wild type partial length PRKX (M1 to F358 residues) expressed in bacterial expression system by Kinomescan assay
50015983	11	ChEMBL_2198942 (CHEMBL5111458)	Inhibition of human GST tagged PIKFYVE (1493 to end residues) expressed in baculovirus-infected Sf9 cells using PI(3)P:PS as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50015983	12	ChEMBL_2198943 (CHEMBL5111459)	Inhibition of PIKFYVE in HEK293 cells by NanoBRET assay
50015983	13	ChEMBL_2198945 (CHEMBL5111461)	Inhibition of MYLK in HEK293 cells by NanoBRET assay
50015983	14	ChEMBL_2198946 (CHEMBL5111462)	Inhibition of MAP4K5 in HEK293 cells by NanoBRET assay
50015983	15	ChEMBL_2198955 (CHEMBL5111471)	Binding affinity to human wild type partial length PIKFYVE (F1512 to C2098 residues) mammalian expression assessed as dissociation constant by Kinomescan method
50015983	16	ChEMBL_2198956 (CHEMBL5111472)	Inhibition of PIKFYVE (unknown origin)
50015984	1	ChEMBL_2198958 (CHEMBL5111474)	Inhibition of KDM5B (unknown origin)
50015984	2	ChEMBL_2198959 (CHEMBL5111475)	Inhibition of recombinant KDM5B (residues 26 to 770) (unknown origin) transfected in Sf9 cells
50015984	3	ChEMBL_2198960 (CHEMBL5111476)	Inhibition of full length human KDM5B expressed in baculovirus expression system using (ARTK(me3)QTARKSTGGKAPRKQLA peptide subst
50015984	4	ChEMBL_2198962 (CHEMBL5111478)	Inhibition of KDM5B (unknown origin) incubated for 30 mins by HRTF assay
50015984	5	ChEMBL_2198964 (CHEMBL5111480)	Inhibition of KDM5A (unknown origin) incubated for 30 mins by HRTF assay
50015984	6	ChEMBL_2198965 (CHEMBL5111481)	Inhibition of KDM5C (unknown origin) incubated for 30 mins by HRTF assay
50015985	1	ChEMBL_2199013 (CHEMBL5111529)	Inhibition of human DNA polymerase theta pol domain (1819 to 2590 residues) expressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by DNA and dNTP addition and measured after 120 mins by Picogreen dye fluorescence intensity analysis
50015985	2	ChEMBL_2199017 (CHEMBL5111533)	Inhibition of N-terminal His8-tagged/C-terminal FLAG-tagged full length human DNA polymerase theta ( 1 to 2590 residues) polymerase activity expressed in HEK2936E cells
50015985	3	ChEMBL_2199019 (CHEMBL5111535)	Inhibition of human DNA polymerase alpha
50015985	4	ChEMBL_2199021 (CHEMBL5111537)	Inhibition of human DNA polymerase gamma
50015985	5	ChEMBL_2199022 (CHEMBL5111538)	Inhibition of human DNA polymerase nu
50015985	6	ChEMBL_2199026 (CHEMBL5111542)	Inhibition of DNA polymerase theta in LIG4 knock out HEK293T cells assessed as decrease in MMEJ-mediated DNA repair preincubated for 1 day followed by lentivirus solution addition for 24 hrs prior to media replacement with compound and measured after 96 hrs by flow cytometry based traffic-light reporter assay
50015985	7	ChEMBL_2199046 (CHEMBL5111562)	Inhibition of human DNA polymerase theta using 5'-CACTGACTGTATGATG as primer and DNA 16/19 as substrate by FRET assay
50015985	8	ChEMBL_2199051 (CHEMBL5111567)	Inhibition of human DNA polymerase theta using DNA 16/19 as substrate at 5 nM of enzyme concentration
50015985	9	ChEMBL_2199052 (CHEMBL5111568)	Inhibition of human DNA polymerase theta using DNA 16/19 as substrate at 2 nM of enzyme concentration
50015985	10	ChEMBL_2199053 (CHEMBL5111569)	Inhibition of human DNA polymerase theta using DNA 16/19 as substrate at 1 nM of enzyme concentration
50015985	11	ChEMBL_2199054 (CHEMBL5111570)	Inhibition of human DNA polymerase theta using DNA 16/19 as substrate at 0.5 nM of enzyme concentration
50015986	1	ChEMBL_2199067 (CHEMBL5111583)	Inhibition of GCN2 (unknown origin)
50015986	2	ChEMBL_2199068 (CHEMBL5111584)	Inhibition of GCN2 in human SK-OV-3 cells assessed as reduction in phosphorylation of eIF2alpha by cellular assay
50015986	3	ChEMBL_2199073 (CHEMBL5111589)	Inhibition of HRI (unknown origin)
50015986	4	ChEMBL_2199074 (CHEMBL5111590)	Inhibition of PKR (unknown origin)
50015986	5	ChEMBL_2199075 (CHEMBL5111591)	Inhibition of PERK (unknown origin)
50015986	6	ChEMBL_2199076 (CHEMBL5111592)	Inhibition of CDK6/Cyclin-D3 (unknown origin)
50015986	7	ChEMBL_2199077 (CHEMBL5111593)	Inhibition of CDKL2 (unknown origin)
50015986	8	ChEMBL_2199078 (CHEMBL5111594)	Inhibition of CDKL3 (unknown origin)
50015986	9	ChEMBL_2199079 (CHEMBL5111595)	Inhibition of CDKL4 (unknown origin)
50015986	10	ChEMBL_2199080 (CHEMBL5111596)	Inhibition of JNK3 (unknown origin)
50015986	11	ChEMBL_2199081 (CHEMBL5111597)	Inhibition of TAF1L (unknown origin)
50015986	12	ChEMBL_2199091 (CHEMBL5111607)	Inhibition of GCN2 in human SK-OV-3 cells assessed as reduction in phosphorylation of eIF2alpha in presence of human serum by cellular assay
50015987	1	ChEMBL_2199106 (CHEMBL5111622)	Binding affinity to recombinant LIMK1 (330 to 637 residues) (unknown origin) expressed in baculovirus infected insect cells assessed as dissociation constant at 10 uM by isothermal titration calorimetry
50015987	2	ChEMBL_2199107 (CHEMBL5111623)	Inhibition of recombinant full length LIMK1 (330 to 637 residues) (unknown origin) expressed in HEK293T cells incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50015987	3	ChEMBL_2199108 (CHEMBL5111624)	Inhibition of recombinant full length LIMK2 (330 to 632 residues) (unknown origin) expressed in HEK293T cells incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50015987	4	ChEMBL_2199109 (CHEMBL5111625)	Inhibition of recombinant LIMK1 (330 to 637 residues) (unknown origin) expressed in baculovirus infected insect cells using CFL1 as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by RapidFire mass spectrometry
50015987	5	ChEMBL_2199110 (CHEMBL5111626)	Inhibition of recombinant LIMK2 (330 to 632 residues) (unknown origin) expressed in baculovirus infected insect cells using CFL1 as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by RapidFire mass spectrometry
50015987	6	ChEMBL_2199111 (CHEMBL5111627)	Inhibition of LIMK1 in human HeLa cells lysate incubated for 45 mins by kinobead based pulldown assay
50015987	7	ChEMBL_2199112 (CHEMBL5111628)	Inhibition of LIMK2 in human HeLa cells lysate incubated for 45 mins by kinobead based pulldown assay
50015987	8	ChEMBL_2199113 (CHEMBL5111629)	Binding affinity to LIMK1 in human HeLa cells assessed as apparent dissociation constant incubated for 45 mins by kinobead based pulldown assay
50015987	9	ChEMBL_2199114 (CHEMBL5111630)	Binding affinity to LIMK2 in human HeLa cells assessed as apparent dissociation constant incubated for 45 mins by kinobead based pulldown assay
50015987	10	ChEMBL_2199115 (CHEMBL5111631)	Binding affinity to human wild-type full length LIMK1 (M1 to D647 residues) expressed in bacterial expression system assessed as dissociation constant by Kinomescan method
50015987	11	ChEMBL_2199116 (CHEMBL5111632)	Binding affinity to human wild-type full length LIMK2 (M1 to P638 residues) expressed in bacterial expression system assessed as dissociation constant by Kinomescan method
50015987	12	ChEMBL_2199182 (CHEMBL5111698)	Inhibition of human glutathione S-transferase-tagged LIMK1 (321 to 647 residues) expressed in baculovirus-infected Sf9 cells incubated for 30 mins by radiometric scintillation counting analysis
50015987	13	ChEMBL_2199183 (CHEMBL5111699)	Inhibition of human glutathione S-transferase-tagged LIMK2 (312 to 638 residues) expressed in baculovirus-infected Sf9 cells incubated for 60 mins by radiometric scintillation counting analysis
50015987	14	ChEMBL_2199184 (CHEMBL5111700)	Inhibition of his6 tagged LIMK1 (unknown origin) expressed in baculovirus-infected Sf9 cells measured after 1 hr in presence of ATP by fluorescence based analysis
50015987	15	ChEMBL_2199185 (CHEMBL5111701)	Inhibition of his6 tagged LIMK2 (unknown origin) expressed in baculovirus-infected Sf9 cells measured after 1 hr in presence of ATP by fluorescence based analysis
50015987	16	ChEMBL_2199186 (CHEMBL5111702)	Inhibition of GST tagged recombinant LIMK1 (unknown origin) using cofilin as substrate by by SDS-PAGE analysis
50015987	17	ChEMBL_2199187 (CHEMBL5111703)	Inhibition of GST tagged recombinant LIMK2 (unknown origin) using cofilin as substrate by by SDS-PAGE analysis
50015987	18	ChEMBL_2199188 (CHEMBL5111704)	Inhibition of LIMK1 (unknown origin)
50015987	19	ChEMBL_2199189 (CHEMBL5111705)	Inhibition of LIMK2 (unknown origin)
50015988	1	ChEMBL_2199350 (CHEMBL5111866)	Inhibition of HDAC1 (unknown origin) preincubated for 5 mins followed by substrate addition and measured after 30 mins by multimode microplate reader analysis
50015988	2	ChEMBL_2199351 (CHEMBL5111867)	Inhibition of HDAC6 (unknown origin) preincubated for 5 mins followed by substrate addition and measured after 30 mins by multimode microplate reader analysis
50015988	3	ChEMBL_2199355 (CHEMBL5111871)	Inhibition of EZH2 (unknown origin)
50015988	4	ChEMBL_2199361 (CHEMBL5111877)	Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells incubated for 2 hrs by Multimode microplate reader analysis
50015988	5	ChEMBL_2199362 (CHEMBL5111878)	Inhibition of full length recombinant human C-terminal GST-fusion-tagged human HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015988	6	ChEMBL_2199364 (CHEMBL5111880)	Inhibition of recombinant C-terminal His-fusion tagged/N-terminal Strep2 tagged human HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015988	7	ChEMBL_2199365 (CHEMBL5111881)	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus expression system using trifluoroacetyl lysine as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015988	8	ChEMBL_2199366 (CHEMBL5111882)	Inhibition of recombinant C-terminal his fusion-tagged human HDAC5 (656 to 1122 residues) expressed in baculovirus expression system using trifluoroacetyl lysine as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015988	9	ChEMBL_2199367 (CHEMBL5111883)	Inhibition of N-terminal GST-fusion tagged recombinant human HDAC7 (518 to 991 residues) expressed in insect cells using trifluoroacetyl lysine as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015988	10	ChEMBL_2199368 (CHEMBL5111884)	Inhibition of HDAC9 (unknown origin) incubated for 2 hrs by Multimode microplate reader analysis
50015988	11	ChEMBL_2199369 (CHEMBL5111885)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected insect cells incubated for 2 hrs by Multimode microplate reader analysis
50015988	12	ChEMBL_2199370 (CHEMBL5111886)	Inhibition of HDAC10 (unknown origin) incubated for 2 hrs by Multimode microplate reader analysis
50015988	13	ChEMBL_2199371 (CHEMBL5111887)	Inhibition of N-terminal Strep2-tagged recombinant His-tagged human HDAC11 (1 to 347 residues) using trifluoroacetyl lysine as substrate incubated for 2 hrs by Multimode microplate reader analysis
50015990	1	ChEMBL_2199420 (CHEMBL5111936)	Binding affinity to human C-terminal domain of Galectin-9 assessed as dissociation constant by fluorescence polarization
50015990	2	ChEMBL_2199421 (CHEMBL5111937)	Binding affinity to human N-terminal domain of Galectin-9 assessed as dissociation constant by fluorescence polarization
50015990	3	ChEMBL_2199422 (CHEMBL5111938)	Binding affinity to human C-terminal domain of Galectin-8 assessed as dissociation constant by fluorescence polarization
50015990	4	ChEMBL_2199423 (CHEMBL5111939)	Binding affinity to human N-terminal domain of Galectin-8 assessed as dissociation constant by fluorescence polarization
50015990	5	ChEMBL_2199424 (CHEMBL5111940)	Binding affinity to N-terminal domain of human Galectin-4 assessed as dissociation constant by fluorescence polarization
50015990	6	ChEMBL_2199428 (CHEMBL5111944)	Binding affinity to C-terminal domain of human Galectin-4 assessed as dissociation constant by fluorescence polarization
50015990	7	ChEMBL_2199429 (CHEMBL5111945)	Binding affinity to recombinant human Galectin-3 expressed in Escherichia coli assessed as dissociation constant by fluorescence polarization
50015990	8	ChEMBL_2199430 (CHEMBL5111946)	Binding affinity to human galectin-3 assessed as dissociation constant by competitive fluorescence polarization assay
50015990	9	ChEMBL_2199440 (CHEMBL5111956)	Binding affinity to recombinant rat Galectin-1 expressed in Escherichia coli assessed as dissociation constant by fluorescence polarization
50015990	10	ChEMBL_2199449 (CHEMBL5111965)	Binding affinity to mouse Galectin-3 assessed as dissociation constant
50015991	1	ChEMBL_2199454 (CHEMBL5111970)	Inhibition of recombinant human N-terminal GST-fusion tagged DHODH expressed in Escherichia coli BL21 (DE3) using dihydroorotate as substrate at 50 uM preincubated for 5 mins followed by substrate addition measured after 5 mins by DCIP assay
50015991	2	ChEMBL_2199455 (CHEMBL5111971)	Inhibition of human N-terminal GST-fusion tagged DHODH (31 to 395 residues) expressed in Escherichia coli BL21-GOLD (DE3) using dihydroorotate as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by DCIP assay
50015992	1	ChEMBL_2199478 (CHEMBL5111994)	Antagonist activity at wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accumulation incubated for 30 mins
50015992	2	ChEMBL_2199480 (CHEMBL5111996)	Binding affinity to wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as dissociation constant by by Schild analysis
50015992	3	ChEMBL_2199481 (CHEMBL5111997)	Binding affinity to wild type A3R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assay
50015992	4	ChEMBL_2199482 (CHEMBL5111998)	Antagonist activity at wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accumulation incubated for 30 mins
50015992	5	ChEMBL_2199484 (CHEMBL5112000)	Binding affinity to wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assay
50015992	6	ChEMBL_2199491 (CHEMBL5112007)	Binding affinity to Nluc-A3R (unknown origin) expressed in HEK293 cells by nanoBRET assay
50015992	7	ChEMBL_2199495 (CHEMBL5112011)	Binding affinity to Nluc-A1R (unknown origin) expressed in HEK293 cells by nanoBRET assay
50015992	8	ChEMBL_2199498 (CHEMBL5112014)	Binding affinity to wild type A1R (unknown origin) by saturation NanoBRET binding assay
50015992	9	ChEMBL_2199500 (CHEMBL5112016)	Binding affinity to A1R E172 5.30A mutant (unknown origin) by saturation NanoBRET binding assay
50015992	10	ChEMBL_2199501 (CHEMBL5112017)	Binding affinity to A1R L250 6.51A mutant (unknown origin) by saturation NanoBRET binding assay
50015992	11	ChEMBL_2199502 (CHEMBL5112018)	Binding affinity to A1R H251 6.52A mutant (unknown origin) by saturation NanoBRET binding assay
50015992	12	ChEMBL_2199503 (CHEMBL5112019)	Binding affinity to A1R S267 7.32A mutant (unknown origin) in by saturation NanoBRET binding assay
50015992	13	ChEMBL_2199506 (CHEMBL5112022)	Binding affinity to human adenosine A1R expressed in CHO cells membrane
50015992	14	ChEMBL_2199509 (CHEMBL5112025)	Displacement of [3H]-DPCPX from human adenosine A1R expressed in CHO cells membrane incubated for 1 hr
50015992	15	ChEMBL_2199514 (CHEMBL5112030)	Binding affinity to human adenosine A3R expressed in CHO cells membrane
50015992	16	ChEMBL_2199518 (CHEMBL5112034)	Binding affinity to adenosine A3R (unknown origin)
50015992	17	ChEMBL_2199522 (CHEMBL5112038)	Binding affinity to N-terminal Nano-luc tagged human adenosine A3R expressed in HEK293 cells membrane
50015993	1	ChEMBL_2199523 (CHEMBL5112039)	Induction of AKT1 degradation in human NCI-H1975 cells assessed as reduction in AKT1 protein level incubated for 24 hrs under serum free medium by Western blot analysis
50015993	2	ChEMBL_2199524 (CHEMBL5112040)	Induction of AKT2 degradation in human NCI-H1975 cells assessed as reduction in AKT2 protein level incubated for 24 hrs under serum free medium by Western blot analysis
50015993	3	ChEMBL_2199525 (CHEMBL5112041)	Induction of AKT3 degradation in human NCI-H1975 cells assessed as reduction in AKT3 protein level incubated for 24 hrs under serum free medium by Western blot analysis
50015993	4	ChEMBL_2199529 (CHEMBL5112045)	Inhibition of EGFR T790M mutant in human NCI-H1975 cells incubated for 24 hrs under serum free medium by Western blot analysis
50015993	5	ChEMBL_2199557 (CHEMBL5112073)	Inhibition of EGFR in human NCI-H1975 cells
50015994	1	ChEMBL_2199560 (CHEMBL5112076)	Inhibition of MAO-A (unknown origin) using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by Amplex red fluorescence based microplate reader assay
50015994	2	ChEMBL_2199561 (CHEMBL5112077)	Inhibition of MAO-B (unknown origin) using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by Amplex red fluorescence based microplate reader assay
50015995	1	ChEMBL_2199611 (CHEMBL5112127)	Inhibition of recombinant SARS-COV2 main protease using DabcylKTSAVLQISGFRKM-E(Edans)-N1-as substrate by FRET assay
50015995	2	ChEMBL_2199613 (CHEMBL5112129)	Inhibition of recombinant SARS-COV2 main protease
50015996	1	ChEMBL_2199641 (CHEMBL5112157)	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residue) using ULight-4EBP1 peptide as substrate incubated for 30 mins in presence of ATP by Lance ultra assay
50015996	2	ChEMBL_2199642 (CHEMBL5112158)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by Kinase Glo luminescence assay
50015996	3	ChEMBL_2199643 (CHEMBL5112159)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 2 hrs in presence of ATP by Kinase Glo luminescence assay
50015996	4	ChEMBL_2199644 (CHEMBL5112160)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by Kinase Glo luminescence assay
50015996	5	ChEMBL_2199645 (CHEMBL5112161)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 2 hrs in presence of ATP by Kinase Glo luminescence assay
50015996	6	ChEMBL_2199711 (CHEMBL5112227)	Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 60 mins in presence of ATP by Kinase Glo luminescence assay
50015996	7	ChEMBL_2199712 (CHEMBL5112228)	Inhibition of PI3Kbeta (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 60 mins in presence of ATP by Kinase Glo luminescence assay
50015996	8	ChEMBL_2199713 (CHEMBL5112229)	Inhibition of PI3Kgamma (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 120 mins in presence of ATP by Kinase Glo luminescence assay
50015996	9	ChEMBL_2199714 (CHEMBL5112230)	Inhibition of PI3Kdelta (unknown origin) using L-alpha-phosphatidylinositol as substrate incubated for 60 mins in presence of ATP by Kinase Glo luminescence assay
50015996	10	ChEMBL_2199715 (CHEMBL5112231)	Inhibition of rat brain mTOR using GST-p70S6K fusion protein as substrate preincubated for 30 mins followed by ATP addition and measured after 30 mins by K-Lisa assay
50015997	1	ChEMBL_2199718 (CHEMBL5112234)	Inhibition of recombinant human full length DNA polymerase theta using DNA substrate measured after 1 hrs in presence of dNTPs by plate reader assay
50015997	2	ChEMBL_2199720 (CHEMBL5112236)	Displacement of tracer from recombinant Tb-labeled DNA polymerase theta (unknown origin) using DNA as substrate preincubated for 30 mins followed by compound addition for 2 hrs by HTRF assay
50015997	3	ChEMBL_2199741 (CHEMBL5112257)	Inhibition of human full length DNA polymerase theta ATPase activity by ADP-Glo assay
50015997	4	ChEMBL_2199747 (CHEMBL5112263)	Displacement of tracer from recombinant Tb-labeled DNA polymerase theta (unknown origin) assessed as end point Kd using DNA as substrate preincubated for 30 mins followed by compound addition for 2 hrs by HTRF assay
50015998	1	ChEMBL_2199748 (CHEMBL5112264)	Competitive binding affinity to recombinant Pseudomonas aeruginosa LecA expressed in Escherichia coli BL21(DE3) incubated for 30 to 60 mins by fluorescent polarization assay
50015998	2	ChEMBL_2199749 (CHEMBL5112265)	Competitive binding affinity to recombinant Pseudomonas aeruginosa PA14 LecB expressed in Escherichia coli BL21(DE3) incubated for 4 to 8 hrs by fluorescent polarization assay
50015998	3	ChEMBL_2199750 (CHEMBL5112266)	Competitive binding affinity to recombinant Pseudomonas aeruginosa PAO1 LecB expressed in Escherichia coli BL21(DE3) incubated for 4 to 8 hrs by fluorescent polarization assay
50015999	1	ChEMBL_2199773 (CHEMBL5112289)	Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC as substrate incubated for 30 mins by fluorescence based microplate reader assay
50015999	2	ChEMBL_2199774 (CHEMBL5112290)	Inhibition of human recombinant CA1 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	3	ChEMBL_2199775 (CHEMBL5112291)	Inhibition of human recombinant CA2 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	4	ChEMBL_2199776 (CHEMBL5112292)	Inhibition of human recombinant CA4 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	5	ChEMBL_2199777 (CHEMBL5112293)	Inhibition of human recombinant CA5A assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	6	ChEMBL_2199778 (CHEMBL5112294)	Inhibition of human recombinant CA5B assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	7	ChEMBL_2199779 (CHEMBL5112295)	Inhibition of human recombinant CA9 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay
50015999	8	ChEMBL_2199780 (CHEMBL5112296)	Displacement of [3H]-prazosin from human adrenergic alpha1A receptor expressed in human HEK293 cells
50016001	1	ChEMBL_2199798 (CHEMBL5112314)	Inhibition of carbonic anhydrase 2 (unknown origin) by CO2 hydration assay
50016001	2	ChEMBL_2199820 (CHEMBL5112336)	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp assay
50016002	1	ChEMBL_2199832 (CHEMBL5112348)	Inhibition of recombinant LIMK1 (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay
50016002	2	ChEMBL_2199833 (CHEMBL5112349)	Inhibition of recombinant LIMK2 (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay
50016002	3	ChEMBL_2199834 (CHEMBL5112350)	Inhibition of PAK mediated recombinant LIMK1 phosphorylation (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay
50016002	4	ChEMBL_2199835 (CHEMBL5112351)	Inhibition of PAK mediated recombinant LIMK2 phosphorylation (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay
50016002	5	ChEMBL_2199836 (CHEMBL5112352)	Inhibition of recombinant LIMK1(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay
50016002	6	ChEMBL_2199837 (CHEMBL5112353)	Inhibition of recombinant LIMK2(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay
50016002	7	ChEMBL_2199838 (CHEMBL5112354)	Inhibition of LIMK1/LIMK2 in human SH-SY5Y cells assessed as effect on phospho cofilin serine 3 phosphorylation incubated for 2 hr by AlphaLISA SureFire assay
50016003	1	ChEMBL_2199854 (CHEMBL5112370)	Inhibition of Plasmodium falciparum recombinant C-terminal TEV cleavable 8his-tagged PMX by FRET assay
50016003	2	ChEMBL_2199856 (CHEMBL5112372)	Inhibition of Plasmodium falciparum PMIX by FRET assay
50016003	3	ChEMBL_2199862 (CHEMBL5112378)	Inhibition of human cathepsin D
50016003	4	ChEMBL_2199863 (CHEMBL5112379)	Inhibition of human renin
50016003	5	ChEMBL_2199878 (CHEMBL5112394)	Inhibition of PMX in Plasmodium falciparum 3D7 HA epitope
50016003	6	ChEMBL_2199879 (CHEMBL5112395)	Inhibition of PMIX in Plasmodium falciparum 3D7 HA epitope
50016003	7	ChEMBL_2199955 (CHEMBL5112471)	Inhibition of hERG cardiac ion channel by patch clamp assay
50016003	8	ChEMBL_2199956 (CHEMBL5112472)	Inhibition of NaV1.5 (unknown origin) cardiac ion channel by patch clamp assay
50016003	9	ChEMBL_2199957 (CHEMBL5112473)	Inhibition of NaV1.8 (unknown origin) cardiac ion channel by patch clamp assay
50016003	10	ChEMBL_2199958 (CHEMBL5112474)	Inhibition of Cav1.2 (unknown origin) cardiac ion channel by patch clamp assay
50016003	11	ChEMBL_2199959 (CHEMBL5112475)	Inhibition of Kv1.5 (unknown origin) by patch clamp method
50016003	12	ChEMBL_2199960 (CHEMBL5112476)	Inhibition of Kv4.3 (unknown origin) by patch clamp method
50016004	1	ChEMBL_2200009 (CHEMBL5112525)	Inhibition of N-terminal His-6 tagged OTUB1 (40 to 271 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Ub-Rho measured after 0.5 to 3 hrs by fluorescence based Plate reader method
50016004	2	ChEMBL_2200010 (CHEMBL5112526)	Inhibition of N-terminal His-6 tagged USP8 (734 to 1110 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells measured after 3 hrs by fluorescence based Plate reader method
50016004	3	ChEMBL_2200011 (CHEMBL5112527)	Inhibition of USP1 (unknown origin) using Ub-Rho measured after 0.5 to 3 hrs
50016004	4	ChEMBL_2200012 (CHEMBL5112528)	Inhibition of USP2 (unknown origin) using Ub-Rho measured after 0.5 to 3 hrs
50016004	5	ChEMBL_2200013 (CHEMBL5112529)	Inhibition of USP7 (unknown origin) using Ub-Rho measured after 0.5 to 3 hrs
50016004	6	ChEMBL_2200014 (CHEMBL5112530)	Inhibition of USP36 (unknown origin) using Ub-Rho measured after 0.5 to 3 hrs
50016004	7	ChEMBL_2200015 (CHEMBL5112531)	Inhibition of Ataxin-3 (unknown origin) using Ub-Rho measured after 0.5 to 3 hrs
50016005	1	ChEMBL_2200056 (CHEMBL5112572)	Inhibition of human recombinant sEH
50016005	2	ChEMBL_2200057 (CHEMBL5112573)	Inhibition of human recombinant sEH expressed in baculovirus by fluorescent-based assay
50016005	3	ChEMBL_2200058 (CHEMBL5112574)	Inhibition of recombinant human sEH using Nonfluorescent Cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate as substrate incubated for 5 mins
50016005	4	ChEMBL_2200059 (CHEMBL5112575)	Inhibition of mouse sEH in using using Nonfluorescent Cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl] carbonate as substrate incubated for 5 mins
50016005	5	ChEMBL_2200067 (CHEMBL5112583)	Inhibition of human recombinant CYP2C19 using 3-cyano-7-ethoxycoumarin as a substrate preincubated for 5 mins followed by substrate addition by fluorescence plate reader analysis
50016005	6	ChEMBL_2200075 (CHEMBL5112591)	Inhibition of human recombinant LOX-5 using arachidonic acid and ATP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescent assay
50016005	7	ChEMBL_2200076 (CHEMBL5112592)	Inhibition of human recombinant COX-2 using Arachidonic acid as substrate incubated for 5 mins
50016007	1	ChEMBL_2200132 (CHEMBL5112648)	Binding affinity to 15N-labeled recombinant human PBRM1 BD2 transfected in Escherichia coli BL21 (DE3) assessed as 1H/13N chemical shift perturbation by measuring dissociation constant by NMR titration analysis
50016007	2	ChEMBL_2200134 (CHEMBL5112650)	Inhibition of biotinylated histone H3K14 (1 to 20 residues) peptide binding to His6-tagged recombinant human PBRM1 BD2 transfected in Escherichia coli BL21 (DE3) incubated for 30 mins by Alphascreen assay
50016007	3	ChEMBL_2200135 (CHEMBL5112651)	Binding affinity to His-TEV-tagged recombinant human PBRM1 BD2 transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at 30 uM by ITC analysis
50016007	4	ChEMBL_2200137 (CHEMBL5112653)	Binding affinity to His-TEV-tagged human PBRM1 BD5 transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at 30 uM by ITC analysis
50016007	5	ChEMBL_2200138 (CHEMBL5112654)	Binding affinity to N-terminal His6-TEV-tagged human SMARCA2B transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at 30 uM by ITC analysis
50016007	6	ChEMBL_2200139 (CHEMBL5112655)	Binding affinity to N-terminal His-TEV-tagged human SMARCA4 transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant at 30 uM by ITC analysis
50016008	1	ChEMBL_2200198 (CHEMBL5112714)	Activation of N-terminal his-tagged human SIRT3 (114 to 380 residues) expressed in Escherichia coli in presence of NAD+ by Mass spectrometry assay
50016008	2	ChEMBL_2200205 (CHEMBL5112721)	Activation of N-terminal his-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli assessed as fold activation using CPS1-succ537 as substrate in presence of NAD+
50016008	3	ChEMBL_2200211 (CHEMBL5112727)	Binding affinity to N-terminal his-tagged human SIRT3 (114 to 380 residues) expressed in Escherichia coli assessed as dissociation constant by microscale thermophoresis assay
50016008	4	ChEMBL_2200212 (CHEMBL5112728)	Binding affinity to N-terminal his-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli assessed as dissociation constant by microscale thermophoresis assay
50016008	5	ChEMBL_2200215 (CHEMBL5112731)	Binding affinity to N-terminal his-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli assessed as dissociation constant using NAD+ as substrate
50016008	6	ChEMBL_2200216 (CHEMBL5112732)	Binding affinity to N-terminal his-tagged human SIRT5 (34 to 302 residues) expressed in Escherichia coli assessed as dissociation constant using CPS1-succK537 peptide as substrate
50016010	1	ChEMBL_2200231 (CHEMBL5112747)	Inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured for 6 hrs by multimode plate reader analysis
50016010	2	ChEMBL_2200235 (CHEMBL5112751)	Irreversible inhibition of recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli using Ac-Abu-Tle-Leu-Gln-MCA as fluorogenic substrate assessed as inhibition constant incubated for 60 mins by multimode plate reader analysis
50016010	3	ChEMBL_2200237 (CHEMBL5112753)	Inhibition of C-terminal His-tagged Human cathepsin B expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by multimode plate reader analysis
50016010	4	ChEMBL_2200238 (CHEMBL5112754)	Inhibition of C-terminal His-tagged recombinant Human cathepsin L (18 to 333 residues) expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by multimode plate reader analysis
50016010	5	ChEMBL_2200239 (CHEMBL5112755)	Inhibition of C-terminal His-tagged recombinant Human cathepsin S (17 to 331 residues) expressed in FreeStyle 293-F cells using Z-Leu-Arg-MCA peptide as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by multimode plate reader analysis
50016011	1	ChEMBL_2200293 (CHEMBL5112809)	Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-AFC as flurogenic substrate preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	2	ChEMBL_2200316 (CHEMBL5112832)	Inhibition of hERG expressed in CHO cells by whole cell patch clamp assay
50016011	3	ChEMBL_2200317 (CHEMBL5112833)	Inhibition of CYP1A2 in human liver microsomes assessed as reduction in acetaminophen metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	4	ChEMBL_2200318 (CHEMBL5112834)	Inhibition of CYP2B6 in human liver microsomes assessed as reduction in hydroxybupropion metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	5	ChEMBL_2200319 (CHEMBL5112835)	Inhibition of CYP2C8 in human liver microsomes assessed as reduction in 6 alpha-hydroxypaclitaxel metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	6	ChEMBL_2200320 (CHEMBL5112836)	Inhibition of CYP2C9 in human liver microsomes assessed as reduction in 4 hydroxy-diclofenac metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	7	ChEMBL_2200321 (CHEMBL5112837)	Inhibition of CYP2C19 in human liver microsomes assessed as reduction in 4-hydroxymephenytoin metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	8	ChEMBL_2200322 (CHEMBL5112838)	Inhibition of CYP2D6 in human liver microsomes assessed as reduction in dextrorphan metabolite formation incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	9	ChEMBL_2200323 (CHEMBL5112839)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6beta-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	10	ChEMBL_2200324 (CHEMBL5112840)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6beta-hydroxytestosterone metabolite formation using testosterone as substrate incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50016011	11	ChEMBL_2200325 (CHEMBL5112841)	Inhibition of DXS induced human whole plasma kallikrein using H-D-Pro-Phe-Arg-AFC as substrate preincubated for 5 mins followed by DXS stimulation by fluorometer analysis
50016011	12	ChEMBL_2200326 (CHEMBL5112842)	Inhibition of human KLK1 preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	13	ChEMBL_2200327 (CHEMBL5112843)	Inhibition of human factor 12a preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	14	ChEMBL_2200328 (CHEMBL5112844)	Inhibition of human factor 11a preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	15	ChEMBL_2200329 (CHEMBL5112845)	Inhibition of human factor 10a preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	16	ChEMBL_2200330 (CHEMBL5112846)	Inhibition of human factor 7a preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	17	ChEMBL_2200331 (CHEMBL5112847)	Inhibition of human plasmin preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	18	ChEMBL_2200332 (CHEMBL5112848)	Inhibition of human thrombin preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	19	ChEMBL_2200333 (CHEMBL5112849)	Inhibition of human trypsin preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	20	ChEMBL_2200334 (CHEMBL5112850)	Inhibition of human beta-secretase 1 preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	21	ChEMBL_2200335 (CHEMBL5112851)	Inhibition of human Cathepsin D preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	22	ChEMBL_2200336 (CHEMBL5112852)	Inhibition of human Cathepsin G preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	23	ChEMBL_2200337 (CHEMBL5112853)	Inhibition of human renin preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	24	ChEMBL_2200338 (CHEMBL5112854)	Inhibition of human tissue plasminogen activator preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	25	ChEMBL_2200339 (CHEMBL5112855)	Inhibition of human tryptase preincubated for 5 mins followed by substrate addition by fluorometer analysis
50016011	26	ChEMBL_2200354 (CHEMBL5112870)	Reversible inhibition of human plasma kallikrein assessed as inhibition constant
50016012	1	ChEMBL_2200359 (CHEMBL5112875)	Inhibition of Alexa fluor 647 labeled kinase tracer binding to human CDK8/cyclin C incubated for 1 hr by FRET based LanthaScreen Eu-Kinase binding assay
50016013	1	ChEMBL_2200361 (CHEMBL5112877)	Inhibition of Pseudomonas aeruginosa PAO1 LecB expressed in Escherichia coli BL21 incubated for 24 hrs by fluorescence polarization based competitive binding analysis
50016013	2	ChEMBL_2200363 (CHEMBL5112879)	Binding affinity to Pseudomonas aeruginosa PAO1 LecB expressed in Escherichia coli BL21 assessed as dissociation constant by isothermal titration calorimetry
50016013	3	ChEMBL_2200383 (CHEMBL5112899)	Binding affinity to Pseudomonas aeruginosa PAO1 LecB assessed as dissociation constant by isothermal titration calorimetry
50016013	4	ChEMBL_2200384 (CHEMBL5112900)	Binding affinity to Pseudomonas aeruginosa PA14 LecB assessed as dissociation constant by isothermal titration calorimetry
50016013	5	ChEMBL_2200385 (CHEMBL5112901)	Inhibition of Pseudomonas aeruginosa PAO1 LecB by competitive fluorescence polarization assay
50016013	6	ChEMBL_2200386 (CHEMBL5112902)	Inhibition of Pseudomonas aeruginosa PA14 LecB by competitive binding assay
50016013	7	ChEMBL_2200387 (CHEMBL5112903)	Inhibition of Pseudomonas aeruginosa LecB expressed in Escherichia coli BL21 (DE3) incubated for 6 hrs by Tecan-INFINITE F500 plate reader analysis
50016015	1	ChEMBL_2200447 (CHEMBL5112963)	Inhibition of human FASN enoyl reductase activity using crotonyl CoA as substrate assessed as inhibition of substrate hydrolysis measured every 1 min for 10 mins in the presence of NADPH by fluorescence based assay
50016017	1	ChEMBL_2200515 (CHEMBL5113031)	Inhibition of His9-tagged BRD4-BD1 (unknown origin) using Ac-SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRKVLR-Peg-(Biot) as substrate incubated for 1 hr and measured by AlphaScreen assay
50016017	2	ChEMBL_2200516 (CHEMBL5113032)	Inhibition of BRD4-BD2 (unknown origin) measured by AlphaScreen assay
50016017	3	ChEMBL_2200517 (CHEMBL5113033)	Inhibition of BRD3-BD1 (unknown origin) measured by AlphaScreen assay
50016017	4	ChEMBL_2200518 (CHEMBL5113034)	Inhibition of BRD3-BD2 (unknown origin) measured by AlphaScreen assay
50016017	5	ChEMBL_2200519 (CHEMBL5113035)	Inhibition of BRD2-BD1 (unknown origin) measured by AlphaScreen assay
50016017	6	ChEMBL_2200520 (CHEMBL5113036)	Inhibition of BRD2-BD2 (unknown origin) measured by AlphaScreen assay
50016017	7	ChEMBL_2200526 (CHEMBL5113042)	Binding affinity towards BRD4-BD1 (unknown origin) measured by isothermal titration calorimetry (ITC) method
50016018	1	ChEMBL_2200545 (CHEMBL5113061)	Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitment of corepressor NCOR2 to PPARgamma LBD by LanthaScreen TR-FRET assay
50016018	2	ChEMBL_2200547 (CHEMBL5113063)	Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as reduction in PPARgamma transactivation measured by Nanoluciferase reporter gene assay
50016018	3	ChEMBL_2200565 (CHEMBL5113081)	Inverse agonist activity at GAL4-tagged mouse PPARgamma LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assay
50016018	4	ChEMBL_2200567 (CHEMBL5113083)	Inverse agonist activity at GAL4-tagged human PPARgamma LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assay
50016018	5	ChEMBL_2200569 (CHEMBL5113085)	Inverse agonist activity at GAL4-tagged human PPARalpha LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assay
50016018	6	ChEMBL_2200571 (CHEMBL5113087)	Inverse agonist activity at GAL4-tagged human PPARdelta LBD expressed in CHO cells measured after 6 hrs by firefly luciferase reporter assay
50016018	7	ChEMBL_2200573 (CHEMBL5113089)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50016018	8	ChEMBL_2200574 (CHEMBL5113090)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50016018	9	ChEMBL_2200575 (CHEMBL5113091)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50016018	10	ChEMBL_2200576 (CHEMBL5113092)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50016018	11	ChEMBL_2200577 (CHEMBL5113093)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50016018	12	ChEMBL_2200578 (CHEMBL5113094)	Inverse agonist activity at human PXR expressed in HepG2 cells measured by One-Glo luciferase assay
50016019	1	ChEMBL_2200599 (CHEMBL5113115)	Binding affinity to human DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry assay
50016022	1	ChEMBL_2200603 (CHEMBL5113119)	Inhibition of human recombinant CYP4A11 using Luciferin-4A as substrate incubated for 60 mins in presence of NADPH regenerating system by luminescence based assay
50016022	2	ChEMBL_2200604 (CHEMBL5113120)	Inhibition of human recombinant CYP4F2 using Luciferin-4F2/3 as substrate incubated for 60 mins in presence of NADPH regenerating system by luminescence based assay
50016024	1	ChEMBL_2200644 (CHEMBL5113160)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation using arachidonic acid as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 10 mins by RP-HPLC analysis
50016024	2	ChEMBL_2200645 (CHEMBL5113161)	Inhibition of 5-LOX in human PMNL assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated for 15 mins followed by A23187 addition and measured after 10 mins by RP-HPLC analysis
50016024	3	ChEMBL_2200646 (CHEMBL5113162)	Inhibition of human recombinant sEH assessed as reduction in 6-methoxynaphthaldehyde formation using PHOME as substrate preincubated for 1 min followed by substrate addition and measured after 60 mins by fluorescence based analysis
50016025	1	ChEMBL_2200684 (CHEMBL5113200)	Inhibition of VEGFR2 (unknown origin)
50016027	1	ChEMBL_2200699 (CHEMBL5113215)	Agonist activity at human MT1 receptor expressed in HEK293 cells by Fluo-8 based calcium assay
50016027	2	ChEMBL_2200700 (CHEMBL5113216)	Agonist activity at human MT2 receptor expressed in HEK293 cells by Fluo-8 based calcium assay
50016027	3	ChEMBL_2200701 (CHEMBL5113217)	Agonist activity at human MT1 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as tango arrestin recruitment incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis
50016027	4	ChEMBL_2200705 (CHEMBL5113221)	Agonist activity at human MT2 receptor transfected in HEK293T cells co-transfected with tet-inducible luciferase reporter plasmid, pCDNA3.1(+)-CMV-betaArrestin2-tev plasmid and TANGO plasmid assessed as relative luminescence unit incubated for 24 hrs by TANGO-GPCR assay based luminescence plate reader analysis
50016028	1	ChEMBL_2200753 (CHEMBL5113269)	Antagonist activity at rat TRPV1 expressed in human HEK293 cells assessed as inhibition of capsaicin-induced influx by measuring intracellular calcium accumulation by fura-2 dye based fluorimetric assay
50016031	1	ChEMBL_2200764 (CHEMBL5113280)	Inhibition of human Axl using KKSRGDYMTMQIG as substrate incubated for 40 mins in the presence of [gamma33P]ATP by scintillation counting analysis
50016031	2	ChEMBL_2200771 (CHEMBL5113287)	Inhibition of human Aurora B using AKRRRLSSLRA as substrate incubated for 40 mins in the presence of [gamma33P]ATP by scintillation counting analysis
50016031	3	ChEMBL_2200772 (CHEMBL5113288)	Inhibition of human JAK2 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in the presence of [gamma33P]ATP by scintillation counting analysis
50016031	4	ChEMBL_2200773 (CHEMBL5113289)	Inhibition of human ALK using KKKSPGEYVNIEFG as substrate incubated for 40 mins in the presence of [gamma33P]ATP by scintillation counting analysis
50016031	5	ChEMBL_2200774 (CHEMBL5113290)	Inhibition of human IGF-1R using KKKSPGEYVNIEFG as substrate incubated for 40 mins in the presence of [gamma33P]ATP by scintillation counting analysis
50016031	6	ChEMBL_2200818 (CHEMBL5113334)	Inhibition of Axl (unknown origin)
50016034	1	ChEMBL_2200840 (CHEMBL5113356)	Binding affinity to recombinant human H-PGDS incubated for 1 hrs by competitive fluorescence polarization assay
50016035	1	ChEMBL_2200852 (CHEMBL5113560)	Inhibition of AChE (unknown origin)
50016035	2	ChEMBL_2200872 (CHEMBL5113580)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 20 mins by DTNB reagent based spectrophotometric method
50016035	3	ChEMBL_2200874 (CHEMBL5113582)	Inhibition of COX-2 (unknown origin)
50016035	4	ChEMBL_2200875 (CHEMBL5113583)	Inhibition of COX-2 (unknown origin) by fluorescent inhibitor screening assay
50016035	5	ChEMBL_2200883 (CHEMBL5113591)	Inhibition of human recombinant COX-2 pretreated with compound for 10 mins followed by substrate addition for 10 mins by fluorescent inhibitor screening assay
50016035	6	ChEMBL_2200885 (CHEMBL5113593)	Inhibition of porcine pancreatic lipase using p-Nitrophenyl butyrate substrate incubated for 15 mins by spectrophotometer analysis
50016035	7	ChEMBL_2200887 (CHEMBL5113595)	Inhibition of JAK3 (unknown origin) by FRET-based Z'-Lyte assay
50016035	8	ChEMBL_2200888 (CHEMBL5113596)	Inhibition of DDR1 (unknown origin) by lanthascreen eu kinase activity assay
50016035	9	ChEMBL_2200894 (CHEMBL5113602)	Inhibition of PTP1B (unknown origin) using pNPP as substrate by spectrophotometer analysis
50016035	10	ChEMBL_2200899 (CHEMBL5113607)	Inhibition of BACE1 (unknown origin) using beta-secretase as substrate incubated in dark for 1 hr by fluorescence based analysis
50016035	11	ChEMBL_2200903 (CHEMBL5113611)	Inhibition of influenza A virus neuraminidase using 2-(4-methylumbelliferyl)-a-D-acetylneuraminic acid as substrate incubated for 30 mins by fluorescence based analysis
50016036	1	ChEMBL_2200942 (CHEMBL5113650)	Inhibition of N-terminal GST-tagged full-length human PDE9A2 expressed in baculovirus infected Sf9 insect cells using cGMP as substrate incubated for 30 mins by HTRF assay
50016036	2	ChEMBL_2200943 (CHEMBL5113651)	Inhibition of N-terminal GST-tagged full-length recombinant human PDE5A1 (1 to 875 residues) expressed in Sf9 insect cells using cGMP as substrate incubated for 30 mins by HTRF assay
50016036	3	ChEMBL_2200944 (CHEMBL5113652)	Inhibition of C-terminal 6xHis/FLAG-tagged full-length recombinant human HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluorogenic substrate incubated for 30 mins by fluorescence based plate reader analysis
50016036	4	ChEMBL_2200945 (CHEMBL5113653)	Inhibition of full-length recombinant human HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using fluorogenic substrate incubated for 30 mins by fluorescence based plate reader analysis
50016036	5	ChEMBL_2200946 (CHEMBL5113654)	Inhibition of PDE5A (unknown origin)
50016036	6	ChEMBL_2200947 (CHEMBL5113655)	Inhibition of HDAC1 (unknown origin)
50016036	7	ChEMBL_2200948 (CHEMBL5113656)	Inhibition of HDAC2 (unknown origin)
50016036	8	ChEMBL_2200949 (CHEMBL5113657)	Inhibition of HDAC6 (unknown origin)
50016036	9	ChEMBL_2200950 (CHEMBL5113658)	Inhibition of PDE9 (unknown origin)
50016036	10	ChEMBL_2200952 (CHEMBL5113660)	Inhibition of recombinant human TG2 using N-Cbz-Glu(gamma-p-nitrophenylester) as substrate measured for 10 mins by absorbance based microplate reader analysis
50016036	11	ChEMBL_2200954 (CHEMBL5113662)	Binding affinity to mouse PKC-alpha assessed as inhibition constant
50016036	12	ChEMBL_2200957 (CHEMBL5113665)	Inhibition of HDAC3 (unknown origin)
50016036	13	ChEMBL_2200958 (CHEMBL5113666)	Inhibition of HDAC4 (unknown origin)
50016036	14	ChEMBL_2200959 (CHEMBL5113667)	Inhibition of HDAC5 (unknown origin)
50016036	15	ChEMBL_2200960 (CHEMBL5113668)	Inhibition of HDAC8 (unknown origin)
50016036	16	ChEMBL_2200962 (CHEMBL5113670)	Inhibition of His-tagged recombinant human HDAC1 (482 residues) expressed in baculovirus infected insect cells using FLUOR DE LYS-SIRT1 as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50016036	17	ChEMBL_2200963 (CHEMBL5113671)	Inhibition of His-tagged recombinant human HDAC6 expressed in baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50016036	18	ChEMBL_2200966 (CHEMBL5113674)	Inhibition of pan-HDAC (unknown origin)
50016036	19	ChEMBL_2200968 (CHEMBL5113676)	Inhibition of HDAC1 (unknown origin) by microplate reader analysis
50016036	20	ChEMBL_2200969 (CHEMBL5113677)	Inhibition of human Top1 using negatively supercoiled DNA as substrate
50016036	21	ChEMBL_2200971 (CHEMBL5113679)	Inhibition of recombinant human HDAC1 expressed in baculovirus infected Hi-5 insect cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate incubated for 3 to 24 hrs by fluorescence based plate reader analysis
50016036	22	ChEMBL_2200972 (CHEMBL5113680)	Inhibition of recombinant human HDAC2 expressed in baculovirus infected Hi-5 insect cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate incubated for 3 to 24 hrs by fluorescence based plate reader analysis
50016036	23	ChEMBL_2200973 (CHEMBL5113681)	Inhibition of recombinant human HDAC3 expressed in baculovirus infected Hi-5 insect cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate incubated for 3 to 24 hrs by fluorescence based plate reader analysis
50016036	24	ChEMBL_2200976 (CHEMBL5113684)	Inhibition of recombinant human HDAC1 using HDAC substrate incubated for 30 mins by fluorescence based microplate reader analysis
50016036	25	ChEMBL_2200977 (CHEMBL5113685)	Inhibition of recombinant human HDAC2 using HDAC substrate incubated for 30 mins by fluorescence based microplate reader analysis
50016036	26	ChEMBL_2200978 (CHEMBL5113686)	Inhibition of recombinant human HDAC6 using HDAC substrate incubated for 30 mins by fluorescence based microplate reader analysis
50016036	27	ChEMBL_2200986 (CHEMBL5113694)	Displacement of [3H]-mibolerone from rat androgen receptor incubated for 4 hrs by radioligand binding assay
50016036	28	ChEMBL_2200990 (CHEMBL5113698)	Inhibition of recombinant human HDAC1 using Boc-L-Lys (Ac)-AMC as substrate incubated for 35 mins by microplate reader analysis
50016036	29	ChEMBL_2200991 (CHEMBL5113699)	Displacement of fluorescent tracer from VDR (unknown origin) by fluorescence polarisation competition assay
50016036	30	ChEMBL_2200992 (CHEMBL5113700)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-7-amino-4-methylcoumarin (BocLys(Ac)-AMC) as substrate incubated for 30 mins by fluorescence based assay
50016036	31	ChEMBL_2200993 (CHEMBL5113701)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-7-amino-4-methylcoumarin (BocLys(Ac)-AMC) as substrate incubated for 30 mins by fluorescence based assay
50016036	32	ChEMBL_2200994 (CHEMBL5113702)	Inhibition of recombinant human HDAC6 expressed in baculovirus infected Hi-5 insect cells using Boc-Lys (epsilon-acetyl)-AMC as substrate incubated for 3 to 24 hrs by fluorescence based assay
50016036	33	ChEMBL_2200997 (CHEMBL5113705)	Inhibition of EGFR (unknown origin)
50016036	34	ChEMBL_2201002 (CHEMBL5113710)	Inhibition of HDAC1 derived from human HeLa nuclear extract using COLOR DE LYS substrate by colorimetric assay
50016036	35	ChEMBL_2201003 (CHEMBL5113711)	Inhibition of PI3K-alpha (unknown origin) by ADP-Glo luminescent kinase assay
50016036	36	ChEMBL_2201004 (CHEMBL5113712)	Inhibition of PI3K-beta (unknown origin) by ADP-Glo luminescent kinase assay
50016036	37	ChEMBL_2201005 (CHEMBL5113713)	Inhibition of PI3K-gamma (unknown origin) by ADP-Glo luminescent kinase assay
50016036	38	ChEMBL_2201006 (CHEMBL5113714)	Inhibition of PI3K-alpha (unknown origin)
50016036	39	ChEMBL_2201007 (CHEMBL5113715)	Inhibition of full-length recombinant human HDAC1 expressed in baculovirus infected Hi-5 insect cells using AcLys-Tyr-Lys(e-acetyl)-AMC as substrate incubated for 24 hrs by enzymatic assay
50016036	40	ChEMBL_2201008 (CHEMBL5113716)	Inhibition of BCR-ABL (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo assay
50016036	41	ChEMBL_2201012 (CHEMBL5113720)	Inhibition of recombinant human HDAC1 using fluorogenic substrate measured after 60 mins by fluorescence based assay
50016036	42	ChEMBL_2201016 (CHEMBL5113724)	Inhibition of CDK4 (unknown origin)
50016036	43	ChEMBL_2201017 (CHEMBL5113725)	Inhibition of recombinant human HDAC1 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorescence based assay
50016036	44	ChEMBL_2201019 (CHEMBL5113727)	Inhibition of recombinant human HDAC8 using Fluor-de-lys substrate by fluorescence based microplate reader analysis
50016036	45	ChEMBL_2201020 (CHEMBL5113728)	Inhibition of MMP2 (unknown origin) using chromogenic substrate incubated for 1 hr followed by substrate addition measured for 30 mins by microplate photometry
50016036	46	ChEMBL_2201022 (CHEMBL5113730)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac) as substrate incubated for 30 mins by fluorescence based assay
50016036	47	ChEMBL_2201023 (CHEMBL5113731)	Inhibition of LSD1 (unknown origin) using diMeK4H31-21 as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by absorbance based assay
50016039	1	ChEMBL_2201070 (CHEMBL5113778)	Displacement of [3H]SCH-23390 from porcine striatum dopamine D1 receptor incubated for 30 mins by radioligand competition binding assay based scintillation counter analysis
50016039	2	ChEMBL_2201075 (CHEMBL5113783)	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting method
50016039	3	ChEMBL_2201076 (CHEMBL5113784)	Displacement of 8-OH-DPAT from human 5-HT1A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay based
50016039	4	ChEMBL_2201077 (CHEMBL5113785)	Displacement of ketanserin from human 5-HT2A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay based
50016039	5	ChEMBL_2201078 (CHEMBL5113786)	Displacement of PNU-86170 from human dopamine D2 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay based
50016039	6	ChEMBL_2201079 (CHEMBL5113787)	Displacement of spiperone from human dopamine D4 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay based
50016039	7	ChEMBL_2201080 (CHEMBL5113788)	Displacement of [3H]serotonin from recombinant human 5-HT1B receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding assay based
50016039	8	ChEMBL_2201081 (CHEMBL5113789)	Displacement of [3H]serotonin from recombinant human 5-HT1D receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding assay based
50016039	9	ChEMBL_2201082 (CHEMBL5113790)	Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver membranes measured after 120 mins by liquid scintillation counting method
50016039	10	ChEMBL_2201087 (CHEMBL5113795)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins by DTNB reagent based Ellman's method
50016039	11	ChEMBL_2201093 (CHEMBL5113801)	Inhibition of Escherichia coli DNA gyrase supercoiling activity using pBR322 DNA as substrate incubated for 2 hrs by ethidium bromide/bromophenol blue staining based agarose gel electrophoresis analysis
50016039	12	ChEMBL_2201094 (CHEMBL5113802)	Inhibition of Escherichia coli DNA gyrase assessed as inhibition of relaxation of supercoiled plasmid pBR322 DNA incubated for 2 hrs by ethidium bromide/bromophenol blue staining based agarose gel electrophoresis analysis
50016039	13	ChEMBL_2201095 (CHEMBL5113803)	Inhibition of Drosophila topoisomerase II assessed as relaxation of supercoiled plasmid pBR322 DNA incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis
50016046	1	ChEMBL_2201119 (CHEMBL5113827)	Inhibition of Mcl-1 (unknown origin) measured after 5 mins by spectramax M5 microplate reader method
50016046	2	ChEMBL_2201132 (CHEMBL5113840)	Inhibition of Bak/Mcl-1 (unknown origin) protein protein interaction by fluorescence polarization assay
50016046	3	ChEMBL_2201133 (CHEMBL5113841)	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50016046	4	ChEMBL_2201136 (CHEMBL5113844)	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant
50016046	5	ChEMBL_2201137 (CHEMBL5113845)	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant
50016046	6	ChEMBL_2201139 (CHEMBL5113847)	Binding affinity to Mcl-1/Bak protein protein interaction (unknown origin) assessed as inhibition constant by TR-FRET assay
50016046	7	ChEMBL_2201141 (CHEMBL5113849)	Binding affinity to Bcl-XL (unknown origin)
50016046	8	ChEMBL_2201142 (CHEMBL5113850)	Binding affinity to Bcl-2 (unknown origin)
50016046	9	ChEMBL_2201143 (CHEMBL5113851)	Binding affinity to Mcl-1 (unknown origin)
50016046	10	ChEMBL_2201151 (CHEMBL5113859)	Inhibition of Mcl-1/Bak (unknown origin)
50016046	11	ChEMBL_2201153 (CHEMBL5113861)	Inhibition of FITC-MCL-1 SAHBa binding to recombinant MCL-1 (172 - 327 residues) (unknown origin) by competitive binding assay
50016046	12	ChEMBL_2201160 (CHEMBL5113868)	Inhibition of Mcl-1/Bak (unknown origin) by fluorescence polarization assay
50016046	13	ChEMBL_2201162 (CHEMBL5113870)	Binding affinity to Mcl-1/Bak (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50016046	14	ChEMBL_2201164 (CHEMBL5113872)	Binding affinity to Mcl-1/Bak (unknown origin) assessed as dissociation constant by ITC method
50016046	15	ChEMBL_2201172 (CHEMBL5113880)	Inhibition of Mcl-1 (unknown origin) by TR-FRET assay
50016046	16	ChEMBL_2201174 (CHEMBL5113882)	Binding affinity to wildtype Mcl-1 (unknown origin) assessed as dissociation constant by SPR analysis
50016046	17	ChEMBL_2201187 (CHEMBL5113895)	Binding affinity to Bak/Mcl-1 (unknown origin) protein protein interaction by fluorescence polarization assay
50016046	18	ChEMBL_2201191 (CHEMBL5113899)	Binding affinity to Mcl-1 (unknown origin) assessed as dissociation constant by SPR analysis
50016046	19	ChEMBL_2201192 (CHEMBL5113900)	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by fluorescence polarisation assay
50016046	20	ChEMBL_2201193 (CHEMBL5113901)	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant by fluorescence polarisation assay
50016047	1	ChEMBL_2201283 (CHEMBL5113991)	Inhibition of biotinylated human FXIa assessed as inhibition of p-nitroaniline release using Pyr-Pro-Arg-pNA as substrate measured for 20 mins
50016048	1	ChEMBL_2201302 (CHEMBL5114010)	Inhibition of telomerase derived from human A2780 cell extract by TRAP assay
50016048	2	ChEMBL_2201305 (CHEMBL5114013)	Inhibition of telomerase (unknown origin)
50016048	3	ChEMBL_2201312 (CHEMBL5114020)	Inhibition of telomerase derived from human K562 cell extract incubated for 30 mins by TRAP assay
50016051	1	ChEMBL_2201396 (CHEMBL5114104)	Inhibition of c-MET (unknown origin)
50016051	2	ChEMBL_2201402 (CHEMBL5114110)	Inhibition of VEGFR2 (unknown origin)
50016051	3	ChEMBL_2201415 (CHEMBL5114123)	Inhibition of FGFR1 (unknown origin) using ULight-JAK-1 (Tyr1023) peptide as substrate incubated for 90 mins and measured after 1 hr by LANCE Ultra TR-FRET assay
50016051	4	ChEMBL_2201416 (CHEMBL5114124)	Inhibition of FLT3 (unknown origin)
50016051	5	ChEMBL_2201417 (CHEMBL5114125)	Inhibition of FGFR2 (unknown origin)
50016051	6	ChEMBL_2201418 (CHEMBL5114126)	Inhibition of FGFR3 (unknown origin)
50016051	7	ChEMBL_2201419 (CHEMBL5114127)	Inhibition of PDGFR-beta (unknown origin)
50016051	8	ChEMBL_2201420 (CHEMBL5114128)	Inhibition of EGFR (unknown origin)
50016051	9	ChEMBL_2201427 (CHEMBL5114135)	Inhibition of wild-type EGFR (unknown origin)
50016051	10	ChEMBL_2201428 (CHEMBL5114136)	Inhibition of EGFR L858R mutant (unknown origin)
50016051	11	ChEMBL_2201432 (CHEMBL5114140)	Inhibition of COX-1 (unknown origin)
50016051	12	ChEMBL_2201433 (CHEMBL5114141)	Inhibition of COX-2 (unknown origin)
50016051	13	ChEMBL_2201435 (CHEMBL5114143)	Inhibition of BRD4 (unknown origin) using histone-H4 as substrate incubated for 15 mins and measured after 1 hr by AlphaScreen assay
50016051	14	ChEMBL_2201439 (CHEMBL5114147)	Inhibition of MMP-2 (unknown origin) using succinylated gelatin as substrate incubated for 30 mins and measured by gelatin zymography method
50016051	15	ChEMBL_2201440 (CHEMBL5114148)	Inhibition of PARP-1 (unknown origin)
50016051	16	ChEMBL_2201441 (CHEMBL5114149)	Inhibition of PARP-1 (unknown origin) in cellular based assay
50016051	17	ChEMBL_2201442 (CHEMBL5114150)	Inhibition of P-gp (unknown origin)
50016051	18	ChEMBL_2201443 (CHEMBL5114151)	Inhibition of P-gp in human K562/A02 cells assessed as adriamycin IC50 at 2 ug/ml
50016051	19	ChEMBL_2201445 (CHEMBL5114153)	Inhibition of P-gp in human K562/A02 cells assessed as adriamycin IC50 at 4 ug/ml
50016051	20	ChEMBL_2201447 (CHEMBL5114155)	Inhibition of P-gp in human K562/A02 cells assessed as adriamycin IC50 at 6 ug/ml
50016051	21	ChEMBL_2201449 (CHEMBL5114157)	Inhibition of P-gp in human K562/A02 cells assessed as adriamycin IC50 at 8 ug/ml
50016051	22	ChEMBL_2201451 (CHEMBL5114159)	Inhibition of P-gp in human K562/A02 cells assessed as adriamycin IC50 at 10 ug/ml
50016051	23	ChEMBL_2201453 (CHEMBL5114161)	Inhibition of P-gp in human K562 cells assessed as adriamycin IC50 at 2 ug/ml
50016051	24	ChEMBL_2201455 (CHEMBL5114163)	Inhibition of P-gp in human K562 cells assessed as adriamycin IC50 at 4 ug/ml
50016051	25	ChEMBL_2201457 (CHEMBL5114165)	Inhibition of P-gp in human K562 cells assessed as adriamycin IC50 at 6 ug/ml
50016051	26	ChEMBL_2201459 (CHEMBL5114167)	Inhibition of P-gp in human K562 cells assessed as adriamycin IC50 at 8 ug/ml
50016051	27	ChEMBL_2201461 (CHEMBL5114169)	Inhibition of P-gp in human K562 cells assessed as adriamycin IC50 at 10 ug/ml
50016051	28	ChEMBL_2201464 (CHEMBL5114172)	Inhibition of CDK1 (unknown origin)
50016051	29	ChEMBL_2201465 (CHEMBL5114173)	Inhibition of CDK2 (unknown origin)
50016051	30	ChEMBL_2201466 (CHEMBL5114174)	Inhibition of CDK4 (unknown origin)
50016051	31	ChEMBL_2201467 (CHEMBL5114175)	Inhibition of recombinant STK33 (unknown origin)
50016051	32	ChEMBL_2201471 (CHEMBL5114179)	Inhibition of alpha-glucosidase (unknown origin)
50016051	33	ChEMBL_2201475 (CHEMBL5114183)	Displacement of [3H]glycine from NMDA receptor (unknown origin)
50016051	34	ChEMBL_2201476 (CHEMBL5114184)	Displacement of [3H]DCKA from NMDA receptor (unknown origin)
50016051	35	ChEMBL_2201478 (CHEMBL5114186)	Displacement of [3H]CGP-39653 from NMDA receptor (unknown origin)
50016051	36	ChEMBL_2201479 (CHEMBL5114187)	Displacement of [3H]kainic acid from NMDA receptor (unknown origin)
50016051	37	ChEMBL_2201480 (CHEMBL5114188)	Displacement of [3H]AMPA from NMDA receptor (unknown origin)
50016051	38	ChEMBL_2201481 (CHEMBL5114189)	Displacement of [3H]MDL from NMDA receptor (unknown origin)
50016051	39	ChEMBL_2201482 (CHEMBL5114190)	Displacement of [3H]L-689560 from NMDA receptor (unknown origin)
50016051	40	ChEMBL_2201483 (CHEMBL5114191)	Displacement of [3H]NMDA from NMDA receptor (unknown origin)
50016051	41	ChEMBL_2201494 (CHEMBL5114202)	Displacement of [3H]MK-801 from NMDA receptor (unknown origin)
50016051	42	ChEMBL_2201496 (CHEMBL5114204)	Antagonist activity at NMDA receptor (unknown origin) assessed as NMDA-induced depolarizations
50016051	43	ChEMBL_2201499 (CHEMBL5114207)	Binding affinity to GluA2 receptor (unknown origin)
50016051	44	ChEMBL_2201500 (CHEMBL5114208)	Binding affinity to GluK1 receptor (unknown origin)
50016051	45	ChEMBL_2201501 (CHEMBL5114209)	Binding affinity to GluK2 receptor (unknown origin)
50016051	46	ChEMBL_2201502 (CHEMBL5114210)	Binding affinity to GluK3 receptor (unknown origin)
50016051	47	ChEMBL_2201503 (CHEMBL5114211)	Binding affinity to GluK1 ligand binding domain (unknown origin)
50016051	48	ChEMBL_2201505 (CHEMBL5114213)	Binding affinity to NMDA receptor (unknown origin)
50016051	49	ChEMBL_2201506 (CHEMBL5114214)	Binding affinity to GluK5 receptor (unknown origin)
50016051	50	ChEMBL_2201507 (CHEMBL5114215)	Anatgonist activity at 5-HT2C receptor (unknown origin)
50016051	51	ChEMBL_2201508 (CHEMBL5114216)	Agonist activity at 5-HT2C receptor (unknown origin)
50016051	52	ChEMBL_2201515 (CHEMBL5114223)	Binding affinity to CRF1 receptor (unknown origin)
50016051	53	ChEMBL_2201516 (CHEMBL5114224)	Anatgonist activity at CRF1 receptor (unknown origin)
50016051	54	ChEMBL_2201517 (CHEMBL5114225)	Inhibition of JNK3 (unknown origin)
50016051	55	ChEMBL_2201518 (CHEMBL5114226)	Inhibition of JNK1 (unknown origin)
50016051	56	ChEMBL_2201519 (CHEMBL5114227)	Inhibition of JNK2 (unknown origin)
50016051	57	ChEMBL_2201522 (CHEMBL5114230)	Inhibition of DDR1 (unknown origin)
50016051	58	ChEMBL_2201523 (CHEMBL5114231)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50016051	59	ChEMBL_2201524 (CHEMBL5114232)	Inhibition of MAO-A (unknown origin)
50016051	60	ChEMBL_2201525 (CHEMBL5114233)	Inhibition of MAO-B (unknown origin)
50016051	61	ChEMBL_2201527 (CHEMBL5114235)	Antagonist at KOR expressed in human U2OS cells measured by High content imaging based beta-arrestin translocation assay
50016051	62	ChEMBL_2201567 (CHEMBL5114275)	Inhibition of hERG
50016051	63	ChEMBL_2201570 (CHEMBL5114278)	Inhibition of Staphylococcus aureus DNA gyrase
50016051	64	ChEMBL_2201571 (CHEMBL5114279)	Inhibition of Staphylococcus aureus topoisomerase 4
50016051	65	ChEMBL_2201577 (CHEMBL5114285)	Inhibition of HIV1 reverse transcriptase
50016051	66	ChEMBL_2201581 (CHEMBL5114289)	Inhibition of DC-SIGN (unknown origin)
50016051	67	ChEMBL_2201582 (CHEMBL5114290)	Inhibition of gelatinase A (unknown origin)
50016051	68	ChEMBL_2201583 (CHEMBL5114291)	Inhibition of APN (unknown origin)
50016051	69	ChEMBL_2201630 (CHEMBL5114338)	Inhibition of cAMP-specific 3',5'-cyclic phosphodiesterase (unknown origin)
50016051	70	ChEMBL_2201632 (CHEMBL5114340)	Inhibition of Thrombin (unknown origin)
50016051	71	ChEMBL_2201633 (CHEMBL5114341)	Inhibition of coagulation factor Xa (unknown origin)
50016051	72	ChEMBL_2201634 (CHEMBL5114342)	Inhibition of trypsin (unknown origin)
50016051	73	ChEMBL_2201635 (CHEMBL5114343)	Inhibition of plasmin (unknown origin)
50016051	74	ChEMBL_2201645 (CHEMBL5114353)	Inhibition of SCD in rat microsomes
50016051	75	ChEMBL_2201646 (CHEMBL5114354)	Inhibition of SCD in human HepG2 cells
50016051	76	ChEMBL_2201654 (CHEMBL5114362)	Inhibition of porcine PLA2G1B
50016051	77	ChEMBL_2201655 (CHEMBL5114363)	Inhibition of human PLA2G2A
50016051	78	ChEMBL_2201656 (CHEMBL5114364)	Inhibition of human PLA2G5
50016051	79	ChEMBL_2201657 (CHEMBL5114365)	Inhibition of human PLA2G10
50016051	80	ChEMBL_2201658 (CHEMBL5114366)	Inhibition of human PLA2G12A
50016051	81	ChEMBL_2201662 (CHEMBL5114370)	Potentiation of CFTR in FRT cells co-expressing human wild-type CFTR and YFP iodide-sensing protein in presence of forskolin measured by High-Throughput Screening method
50016051	82	ChEMBL_2201665 (CHEMBL5114373)	Inhibition of CDK5 (unknown origin)
50016051	83	ChEMBL_2201666 (CHEMBL5114374)	Inhibition of CDK6 (unknown origin)
50016051	84	ChEMBL_2201667 (CHEMBL5114375)	Inhibition of CDK7 (unknown origin)
50016052	1	ChEMBL_2201699 (CHEMBL5114407)	Inhibition of SENP1 (unknown origin)
50016052	2	ChEMBL_2201700 (CHEMBL5114408)	Inhibition of human SENP1 using AMC-tagged SUMO1 as substrate incubated for 10 mins by fluorescence based analysis
50016052	3	ChEMBL_2201701 (CHEMBL5114409)	Inhibition of human SENP2 using AMC-tagged SUMO1 as substrate incubated for 10 mins by fluorescence based analysis
50016052	4	ChEMBL_2201702 (CHEMBL5114410)	Inhibition of human SENP6 using AMC-tagged SUMO1 as substrate incubated for 10 mins by fluorescence based analysis
50016052	5	ChEMBL_2201704 (CHEMBL5114412)	Inhibition of human SENP1 using QTGG-AFC as substrate by fluorescence based analysis
50016052	6	ChEMBL_2201705 (CHEMBL5114413)	Inhibition of human SENP2 using QTGG-AFC as substrate by fluorescence based analysis
50016052	7	ChEMBL_2201706 (CHEMBL5114414)	Inhibition of human SENP6 using Ac-LRGG-AFC as substrate by fluorescence based analysis
50016052	8	ChEMBL_2201707 (CHEMBL5114415)	Inhibition of His-tagged human SENP1 (419 to 644 residues) expressed in Escherichia coli (DE3) using YFP-SUMO-ECFP as substrate incubated for 15 mins by Coomassie staining based SDS-PAGE analysis
50016052	9	ChEMBL_2201708 (CHEMBL5114416)	Inhibition of His-tagged human SENP2 (364 to 589 residues) expressed in Escherichia coli (DE3) using YFP-SUMO-ECFP as substrate incubated for 15 mins by Coomassie staining based SDS-PAGE analysis
50016052	10	ChEMBL_2201709 (CHEMBL5114417)	Inhibition of His-tagged human SENP7 expressed in Escherichia coli (DE3) using YFP-SUMO-ECFP as substrate incubated for 15 mins by Coomassie staining based SDS-PAGE analysis
50016052	11	ChEMBL_2201710 (CHEMBL5114418)	Inhibition of recombinant human SENP2 in presence of DTT by FRET assay
50016052	12	ChEMBL_2201711 (CHEMBL5114419)	Inhibition of SENP1 (unknown origin) assessed as reduction in deSUMOylation of RanGAP1-SUMO2 using RanGAP1-SUMO2 as substrate preincubated for 10 mins followed by substrate addition and measured after 45 mins by coomassie brilliant blue staining based SDS-PAGE analysis
50016052	13	ChEMBL_2201715 (CHEMBL5114423)	Inhibition of NAE (unknown origin)
50016053	1	ChEMBL_2201723 (CHEMBL5114431)	Inhibition of HIV-1 reverse transcriptase in virus infected human C8166 cells assessed as reduction in virus-induced cytopathic effect by MTT assay
50016053	2	ChEMBL_2201730 (CHEMBL5114438)	Inhibition of recombinant HIV-1 reverse transcriptase using ABTS as substrate incubated for 1 hr by ELISA
50016053	3	ChEMBL_2201733 (CHEMBL5114441)	Inhibition of recombinant HIV-1 subtype C integrase using double-stranded FITC-labelled target DNA as substrate pre-incubated for 45 mins followed by substrate addition measured after 60 mins by strand transfer inhibition assay
50016053	4	ChEMBL_2201739 (CHEMBL5114447)	Inhibition of wild-type HIV-1 reverse transcriptase by Picogreen assay
50016053	5	ChEMBL_2201741 (CHEMBL5114449)	Inhibition of HIV-1 reverse transcriptase using ABTS as substrate and RNA template primed with oligo(dT)12-18 in presence of digoxigenin/biotin-labeled nucleotides by ELISA
50016053	6	ChEMBL_2201744 (CHEMBL5114452)	Inhibition of HIV-1 reverse transcriptase preincubated for 45 mins followed by substrate addition by immunoassay
50016053	7	ChEMBL_2201751 (CHEMBL5114459)	Inhibition of HIV-1 LTR reverse transcriptase infected in human CEM cells using RNA template incubated for 1 hr by RT-PCR based cell-free assay
50016054	1	ChEMBL_2201759 (CHEMBL5114467)	Inhibition of [3H]-GABA uptake at GAT-1 in rat forebrain synaptosomes assessed as inhibition constant preincubated for 8 mins followed by [3H]-GABA addition measured after 8 mins by scintillation counting method
50016054	2	ChEMBL_2201768 (CHEMBL5114476)	Inhibition of mouse GAT-1 assessed as inhibition of GABA uptake
50016054	3	ChEMBL_2201769 (CHEMBL5114477)	Binding affinity to mouse GAT-1 assessed as inhibition constant
50016054	4	ChEMBL_2201772 (CHEMBL5114480)	Inhibition of mouse GAT-1 expressed in human HEK293 cells assessed as inhibition of [3H]GABA uptake
50016054	5	ChEMBL_2201773 (CHEMBL5114481)	Binding affinity to mouse GAT-1 expressed in human HEK293 cells assessed as inhibition constant in presence of NO711 marker by competitive binding assay
50016054	6	ChEMBL_2201776 (CHEMBL5114484)	Inhibition of mouse GAT-2 expressed in human HEK293 cells assessed as inhibition of [3H]GABA uptake
50016054	7	ChEMBL_2201778 (CHEMBL5114486)	Inhibition of human GAT-3 expressed in mouse L-M(TK-) cells assessed as inhibition of [3H]GABA uptake
50016054	8	ChEMBL_2201779 (CHEMBL5114487)	Inhibition of rat GAT-2 expressed in mouse L-M(TK-) cells assessed as inhibition of [3H]GABA uptake
50016054	9	ChEMBL_2201780 (CHEMBL5114488)	Inhibition of human GAT-1 expressed in mouse L-M(TK-) cells assessed as inhibition of [3H]GABA uptake
50016054	10	ChEMBL_2201781 (CHEMBL5114489)	Inhibition of human BGT-1 expressed in mouse L-M(TK-) cells assessed as inhibition of [3H]GABA uptake
50016054	11	ChEMBL_2201782 (CHEMBL5114490)	Inhibition of mouse GAT-4 assessed as inhibition of [3H]GABA uptake by liquid scintillation counter method
50016058	1	ChEMBL_2201786 (CHEMBL5114494)	Binding affinity to GHS-R1a (unknown origin) assessed as inhibition constant
50016059	1	ChEMBL_2201791 (CHEMBL5114499)	Inhibition of wild type EGFR (unknown origin)
50016059	2	ChEMBL_2201792 (CHEMBL5114500)	Inhibition of EGFR L858R mutant (unknown origin)
50016059	3	ChEMBL_2201793 (CHEMBL5114501)	Inhibition of EGFR del19 mutant (unknown origin)
50016059	4	ChEMBL_2201794 (CHEMBL5114502)	Inhibition of EGFR del19/T790M mutant (unknown origin)
50016059	5	ChEMBL_2201795 (CHEMBL5114503)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50016059	6	ChEMBL_2201796 (CHEMBL5114504)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50016059	7	ChEMBL_2201797 (CHEMBL5114505)	Inhibition of EGFR del19/T790M/C797S mutant (unknown origin)
50016061	1	ChEMBL_2201829 (CHEMBL5114537)	Inhibition of recombinant human Top1 derived from human MCF7 cell extract incubated for 30 mins
50016061	2	ChEMBL_2201832 (CHEMBL5114540)	Inhibition of Chk1 (unknown origin) expressed in Sf9 insect cells using biotinylated cdc25c peptide as substrate in presence of 33P-gamma-labeled ATP by radioactive method
50016062	1	ChEMBL_2201840 (CHEMBL5114548)	Binding affinity to 14-3-3 eta (unknown origin) assessed as dissociation constant by biolayer interferometry assay
50016062	2	ChEMBL_2201879 (CHEMBL5114587)	Inhibition of hERG by automated patch clamp analysis
50016063	1	ChEMBL_2201896 (CHEMBL5114604)	Reactivation of OP compound induced inhibition of recombinant human AChE using ATCh as substrate by Ellman's method
50016063	2	ChEMBL_2201897 (CHEMBL5114605)	Reactivation of OP compound induced inhibition of AChE in human erythrocytes using ATCh as substrate measured up to 2 mins by Ellman's method
50016063	3	ChEMBL_2201898 (CHEMBL5114606)	Reactivation of OP compound induced inhibition of AChE in human erythrocytes using ATCh as substrate by Ellman's method
50016063	4	ChEMBL_2201899 (CHEMBL5114607)	Reactivation of OP compound induced inhibition of BChE in human plasma using ATCh as substrate by Ellman's method
50016063	5	ChEMBL_2201900 (CHEMBL5114608)	Reactivation of tabun induced inhibition of BChE in human plasma using ATCh as substrate by Ellman's method
50016064	1	ChEMBL_2202232 (CHEMBL5114940)	Inhibition of BRD4 BD1 (unknown origin) using FAM-labeled JQ-1 as fluorescent substrate assessed as inhibition constant incubated for 30 mins by competitive fluorescence polarization method
50016064	2	ChEMBL_2202233 (CHEMBL5114941)	Binding affinity to His-tagged biotinylated BRD4 BD1 (unknown origin) assessed as dissociation constant by biolayer interferometry analysis
50016064	3	ChEMBL_2202252 (CHEMBL5114960)	Inhibition of His tagged human BRD4 BD1 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using biotinylated H4K5acK8acK12acK16ac peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen analysis
50016064	4	ChEMBL_2202253 (CHEMBL5114961)	Inhibition of His tagged human BRD4 BD2 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells using HSGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen analysis
50016064	5	ChEMBL_2202254 (CHEMBL5114962)	Inhibition of BRD4 BD1 (unknown origin) fluorescence polarization method
50016064	6	ChEMBL_2202255 (CHEMBL5114963)	Inhibition of BRD4 BD2 (unknown origin) fluorescence polarization method
50016064	7	ChEMBL_2202256 (CHEMBL5114964)	Inhibition of BRD4 BD1 (unknown origin) TR-FRET analysis
50016064	8	ChEMBL_2202257 (CHEMBL5114965)	Inhibition of BRD4 BD2 (unknown origin) TR-FRET analysis
50016064	9	ChEMBL_2202258 (CHEMBL5114966)	Binding affinity to human BRD4 BD1 assessed as dissociation constant by ITC analysis
50016064	10	ChEMBL_2202259 (CHEMBL5114967)	Binding affinity to human BRD4 BD2 assessed as dissociation constant by ITC analysis
50016064	11	ChEMBL_2202260 (CHEMBL5114968)	Binding affinity to BRD4 BD1 (unknown origin) by a fluorescence anisotropy binding assay
50016064	12	ChEMBL_2202261 (CHEMBL5114969)	Binding affinity to BRD4 BD2 (unknown origin) by a fluorescence anisotropy binding assay
50016065	1	ChEMBL_2202276 (CHEMBL5114984)	Inhibition of recombinant human full length C-terminal FLAG/His-tagged HDAC1 expressed in Sf9 insect cells using ZMAL (Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence plate reader analysis
50016065	2	ChEMBL_2202277 (CHEMBL5114985)	Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 cells using ZMAL (Z-(Ac)Lys-AMC as substrate measured after 90 mins by fluorescence plate reader analysis
50016065	3	ChEMBL_2202278 (CHEMBL5114986)	Inhibition of recombinant human HDAC8 using FLUOR DE LYS as substrate preincubated for 15 mins followed by substrate addition measured after 1 hrs by fluorescence plate reader analysis
50016065	4	ChEMBL_2202279 (CHEMBL5114987)	Inhibition of recombinant human N-terminal FLAG tagged HDAC10 expressed in baculovirus infected Sf9 insect cells using fluorogenic substrate measured after 30 mins by fluorescence plate reader analysis
50016067	1	ChEMBL_2202345 (CHEMBL5115053)	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016067	2	ChEMBL_2202346 (CHEMBL5115054)	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016067	3	ChEMBL_2202347 (CHEMBL5115055)	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016067	4	ChEMBL_2202348 (CHEMBL5115056)	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016068	1	ChEMBL_2202353 (CHEMBL5115061)	Binding affinity to SARS-CoV-2 Spike trimer protein by SPR analysis
50016069	1	ChEMBL_2202558 (CHEMBL5115266)	Inhibition of c-Raf (unknown origin) in presence of ATP by hotspot kinase assay
50016070	1	ChEMBL_2202614 (CHEMBL5115322)	Inhibition of wild type Bcr-Abl (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50016070	2	ChEMBL_2202615 (CHEMBL5115323)	Inhibition of Bcr-Abl T315I mutant (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50016072	1	ChEMBL_2202718 (CHEMBL5115426)	Inhibition of CYP450 in human liver microsomes assessed as inhibition of 20-HETE formation in presence of arachidonic acid and NADPH by multi-enzyme assay based LC-MS/MS analysis
50016072	2	ChEMBL_2202719 (CHEMBL5115427)	Inhibition of CYP450 in human liver microsomes assessed as inhibition of 20-HETE formation in presence of arachidonic acid and NADPH by multi-enzyme assay based LC-MS/MS analysis relative to control
50016072	3	ChEMBL_2202724 (CHEMBL5115432)	Inhibition of recombinant human CYP4F2 expressed in baculovirus-infected insect cells in presence of arachidonic acid and NADPH incubated for 15 mins by jump-dilution assay relative to control
50016072	4	ChEMBL_2202725 (CHEMBL5115433)	Inhibition of recombinant human CYP4F2 expressed in baculovirus-infected insect cells in presence of arachidonic acid and NADPH incubated for 15 mins by jump-dilution assay
50016072	5	ChEMBL_2202726 (CHEMBL5115434)	Inhibition of recombinant human CYP4A11 expressed in baculovirus-infected insect cells in presence of arachidonic acid and NADPH incubated for 15 mins by jump-dilution assay relative to control
50016072	6	ChEMBL_2202728 (CHEMBL5115436)	Inhibition of recombinant human CYP2J2 expressed in baculovirus-infected insect cells in presence of arachidonic acid and NADPH incubated for 15 mins by jump-dilution assay relative to control
50016072	7	ChEMBL_2202730 (CHEMBL5115438)	Inhibition of CYP450 in human HCT-116 cells assessed as 20-HETE formation in presence of arachidonic acid incubated for 15 mins by multi-enzyme assay based LC-MS/MS analysis relative to control
50016072	8	ChEMBL_2202731 (CHEMBL5115439)	Inhibition of CYP450 in human HCT-116 cells assessed as 20-HETE formation in presence of arachidonic acid incubated for 15 mins by multi-enzyme assay based LC-MS/MS analysis
50016072	9	ChEMBL_2202740 (CHEMBL5115448)	Inhibition of CYP3A4 in human kidney microsomes assessed as inhibition of 20-HETE formation using 7-benzyl-oxyquinoline as substrate in presence of arachidonic acid and NADPH by fluorescence assay
50016072	10	ChEMBL_2202741 (CHEMBL5115449)	Inhibition of CYP2C9 in human kidney microsomes assessed as inhibition of 20-HETE formation using 7-methoxy-4-trifluoromethylcoumarin as substrate in presence of arachidonic acid and NADPH by fluorescence assay
50016072	11	ChEMBL_2202742 (CHEMBL5115450)	Inhibition of CYP2D6 in human kidney microsomes assessed as inhibition of 20-HETE formation using 3-[2-(N,N-diethyl-N-methyl-amino)ethyl]-7-methoxy-4-methyl-coumarin as substrate in presence of arachidonic acid and NADPH by fluorescence assay
50016072	12	ChEMBL_2202743 (CHEMBL5115451)	Inhibition of recombinant CYP4F2 (unknown origin) incubated for 5 to 15 mins in presence of NADPH by LC-MS/MS analysis
50016072	13	ChEMBL_2202744 (CHEMBL5115452)	Inhibition of recombinant CYP19A1 (unknown origin) using dibenzylfluorescein as substrate incubated for 30 mins in presence of NADPH by fluorescence assay
50016073	1	ChEMBL_2202750 (CHEMBL5115458)	Inhibition of recombinant human PLK4 incubated for 60 mins by Lanthascreen Eu kinase binding assay
50016073	2	ChEMBL_2202751 (CHEMBL5115459)	Inhibition of PAK4 (unknown origin) incubated for 60 mins by time-resolved HTRF assay
50016073	3	ChEMBL_2202871 (CHEMBL5115579)	Inhibition of VEGFR2 (unknown origin)
50016073	4	ChEMBL_2202872 (CHEMBL5115580)	Inhibition of CHK2 (unknown origin)
50016073	5	ChEMBL_2202873 (CHEMBL5115581)	Inhibition of Aurora A (unknown origin)
50016073	6	ChEMBL_2202874 (CHEMBL5115582)	Inhibition of PLK4 (unknown origin)
50016073	7	ChEMBL_2202875 (CHEMBL5115583)	Inhibition of Aurora B (unknown origin)
50016073	8	ChEMBL_2202876 (CHEMBL5115584)	Inhibition of Aurora C (unknown origin)
50016073	9	ChEMBL_2202877 (CHEMBL5115585)	Inhibition of PLK4 (unknown origin) by Lanthascreen Eu Kinase binding assay
50016073	10	ChEMBL_2202878 (CHEMBL5115586)	Inhibition of Aurora A (unknown origin) by Z'-LYTE kinase assay
50016073	11	ChEMBL_2202879 (CHEMBL5115587)	Inhibition of Aurora B (unknown origin) by Z'-LYTE kinase assay
50016073	12	ChEMBL_2202880 (CHEMBL5115588)	Inhibition of Aurora C (unknown origin) by Z'-LYTE kinase assay
50016073	13	ChEMBL_2202882 (CHEMBL5115590)	Inhibition of PLK4 (unknown origin) in the presence of ATP at Km concentration
50016073	14	ChEMBL_2202885 (CHEMBL5115593)	Inhibition of PAK4 (unknown origin) using S2 as substrate incubated for 60 mins in the presence of ATP by time-resolved HTRF assay
50016074	1	ChEMBL_2202930 (CHEMBL5115638)	Inhibition of N-terminal His-tagged human TDP2 expressed in Escherichia coli BL21 using 4-nitrophenyl phenylphosphonate as substrate incubated for 60 mins by EDTA based chromogenic assay
50016075	1	ChEMBL_2202946 (CHEMBL5115654)	Inhibition of human recombinant OGA pretreated for 20 mins followed by 4-Methylumbelliferyl N-acetyl-(3-D-glucosaminide substrate addition by fluorometer
50016077	1	ChEMBL_2203131 (CHEMBL5115839)	Inhibition of wild type EGFR (unknown origin) incubated for 10 mins by HTRF KinEASE-TK assay
50016077	2	ChEMBL_2203132 (CHEMBL5115840)	Inhibition of EGFR L858R/T790M mutant (unknown origin) incubated for 35 mins by HTRF KinEASE-TK assay
50016079	1	ChEMBL_2203150 (CHEMBL5115858)	Binding affinity to wild type human partial length CDK11A (D391 to K730 residues) expressed in bacterial expression system assessed as dissociation constant by KdELECT assay
50016079	2	ChEMBL_2203151 (CHEMBL5115859)	Inhibition of N-terminus or C-terminus NLuc fused CDK11A (unknown origin) transfected in HEK293 cells by NanoBRET assay
50016079	3	ChEMBL_2203152 (CHEMBL5115860)	Inhibition of human recombinant full length GST-tagged CDK4/Cyclin D1 expressed in Baculovirus expression system by Adapta assay
50016079	4	ChEMBL_2203153 (CHEMBL5115861)	Inhibition of human recombinant full length GST-tagged CDK6/Cyclin D1 expressed in Baculovirus expression system by Adapta assay
50016079	5	ChEMBL_2203154 (CHEMBL5115862)	Inhibition of human recombinant full length His-tagged CDK9/Cyclin T1 expressed in Baculovirus expression system by Adapta assay
50016079	6	ChEMBL_2203155 (CHEMBL5115863)	Inhibition of N-terminus or C-terminus NLuc fused CDK4/Cyclin D1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50016079	7	ChEMBL_2203156 (CHEMBL5115864)	Inhibition of N-terminus or C-terminus NLuc fused CDK6/Cyclin D1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50016079	8	ChEMBL_2203157 (CHEMBL5115865)	Inhibition of N-terminus or C-terminus NLuc fused CDK9/Cyclin T1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50016081	1	ChEMBL_2203170 (CHEMBL5115878)	Inhibition of human full lenth N-terminal His6-tagged FTO (1 to 505 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50016081	2	ChEMBL_2203171 (CHEMBL5115879)	Inhibition of human full length N-terminal His6-tagged ALKBH5 (66 to 292 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50016081	3	ChEMBL_2203172 (CHEMBL5115880)	Inhibition of human full lenth N-terminal His6-tagged ALKBH2 (56 to 258 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50016081	4	ChEMBL_2203173 (CHEMBL5115881)	Inhibition of human full lenth N-terminal His6-tagged ALKBH3 (1 to 286 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50016081	5	ChEMBL_2203174 (CHEMBL5115882)	Inhibition of human recombinant ALKBH5 (66 to 292 residues) expressed in Escherichia coli BL21 (DE3) cells using FAM-labeled ssRNA (5'-CUCGAUACG(m^6A) UCCGGUCAAA-3') as substrate incubated for 60 mins by fluorescence polarization assay
50016081	6	ChEMBL_2203188 (CHEMBL5115896)	Inhibition of ALKHB1 (unknown origin) mediated demethylation of m6A assessed as enzyme substrate binding by fluorescence polarisation assay
50016081	7	ChEMBL_2203189 (CHEMBL5115897)	Inhibition of FTO (unknown origin) mediated demethylation of m6A assessed as disruption of enzyme substrate binding by fluorescence polarisation assay
50016082	1	ChEMBL_2203191 (CHEMBL5115899)	Irreversible inhibition of Trypanosoma brucei rhodesiense rhodesain assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assay
50016082	2	ChEMBL_2203194 (CHEMBL5115902)	Irreversible inhibition of human Cathepsin L assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assay
50016082	3	ChEMBL_2203197 (CHEMBL5115905)	Irreversible inhibition of human Cathepsin B assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate by fluorometric assay
50016083	1	ChEMBL_2203211 (CHEMBL5115919)	Antagonist activity at rat TRPM8 channel transfected in HEK293 cells assessed as inhibition of calcium currents by Fluo-4 NW dye based fluorimetric assay
50016083	2	ChEMBL_2203212 (CHEMBL5115920)	Antagonist activity at rat TRPM8 channel transfected in HEK293 cells assessed as inhibition of menthol-induced calcium currents at -60 mV measured for 90 secs by whole cell patch clamp method
50016084	1	ChEMBL_2203271 (CHEMBL5115979)	Binding affinity to Pseudomonas aeruginosa PAO1 LecA assessed as dissociation constant by ITC analysis
50016085	1	ChEMBL_2203288 (CHEMBL5115996)	Agonist activity at human SST5 expressed in CHO-K1 cells assessed as reduction in NKH477-induced intracellular cAMP level
50016085	2	ChEMBL_2203297 (CHEMBL5116005)	Agonist activity at human SST1
50016085	3	ChEMBL_2203298 (CHEMBL5116006)	Agonist activity at human SST2
50016085	4	ChEMBL_2203299 (CHEMBL5116007)	Agonist activity at human SST3
50016085	5	ChEMBL_2203300 (CHEMBL5116008)	Agonist activity at human SST4
50016085	6	ChEMBL_2203301 (CHEMBL5116009)	Agonist activity at rat SST5
50016085	7	ChEMBL_2203302 (CHEMBL5116010)	Time dependent inhibition of CYP2D6 (unknown origin)
50016085	8	ChEMBL_2203303 (CHEMBL5116011)	Time dependent inhibition of CYP2D6 (unknown origin) preincubated for 30 mins
50016085	9	ChEMBL_2203304 (CHEMBL5116012)	Inhibition of hERG by patch clamp assay
50016085	10	ChEMBL_2203305 (CHEMBL5116013)	Inhibition of CYP2C9 (unknown origin) by fluorescent assay
50016085	11	ChEMBL_2203306 (CHEMBL5116014)	Inhibition of CYP2C19 (unknown origin) by fluorescent assay
50016085	12	ChEMBL_2203307 (CHEMBL5116015)	Inhibition of CYP2D6 (unknown origin)
50016085	13	ChEMBL_2203308 (CHEMBL5116016)	Inhibition of CYP2D6 (unknown origin) preincubated for 30 mins
50016085	14	ChEMBL_2203309 (CHEMBL5116017)	Inhibition of CYP3A4 (unknown origin)
50016085	15	ChEMBL_2203310 (CHEMBL5116018)	Inhibition of CYP3A4 (unknown origin) preincubated for 30 mins
50016086	1	ChEMBL_2203368 (CHEMBL5116076)	Binding affinity to N-terminal MRGS(His)6GSDDDDK-tagged Matriptase (unknown origin) expressed in Escherichia coli assessed as inhibition constant using Mes-DArg-Pro-Arg-AMC as substrate
50016086	2	ChEMBL_2203369 (CHEMBL5116077)	Binding affinity to bovine thrombin assessed as inhibition constant using tosyl-Gly-Pro-Arg-AMC as substrate
50016086	3	ChEMBL_2203370 (CHEMBL5116078)	Binding affinity to FXa (unknown origin) using Mes-DArg-Pro-Arg-AMC as substrate
50016088	1	ChEMBL_2203379 (CHEMBL5116087)	Inhibition of recombinant human HDAC1 using fluorescent as substrate measured for 15 mins by fluorescence based microtiter plate assay
50016088	2	ChEMBL_2203380 (CHEMBL5116088)	Inhibition of recombinant human HDAC2 using fluorescent as substrate measured for 30 mins by fluorescence based microtiter plate assay
50016088	3	ChEMBL_2203381 (CHEMBL5116089)	Inhibition of recombinant human HDAC3 using fluorescent as substrate measured for 15 mins by fluorescence based microtiter plate assay
50016088	4	ChEMBL_2203382 (CHEMBL5116090)	Inhibition of recombinant human HDAC8 using fluorescent as substrate measured for 10 mins by fluorescence based microtiter plate assay
50016088	5	ChEMBL_2203383 (CHEMBL5116091)	Inhibition of recombinant human HDAC4 using fluorescent as substrate measured for 30 mins by fluorescence based microtiter plate assay
50016088	6	ChEMBL_2203384 (CHEMBL5116092)	Inhibition of recombinant human HDAC5 using fluorescent as substrate measured for 30 mins by fluorescence based microtiter plate assay
50016088	7	ChEMBL_2203385 (CHEMBL5116093)	Inhibition of recombinant human HDAC6 using fluorescent as substrate measured for 10 mins by fluorescence based microtiter plate assay
50016090	1	ChEMBL_2203483 (CHEMBL5116191)	Inhibition of human recombinant GST-tagged Clk1 (129 to 484 residues) expressed in Escherichia coli expression system using GRSRSRSRSRSRSRS peptide as substrate incubated for 15 mins in presence of ATP by phosphoimager analysis
50016090	2	ChEMBL_2203484 (CHEMBL5116192)	Inhibition of human recombinant GST-tagged Clk2 expressed in Baculovirus expression system using GRSRSRSRSRSRSRS peptide as substrate incubated for 15 mins in presence of ATP by phosphoimager analysis
50016090	3	ChEMBL_2203500 (CHEMBL5116208)	Inhibition of human recombinant GST tagged full length CLK4 expressed in Baculovirus expression system at 1 uM
50016090	4	ChEMBL_2203501 (CHEMBL5116209)	Inhibition of mouse glutathione S-transferase-tagged Clk1 expressed in Escherichia coli DH5alpha using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH peptide as substrate in presence of [gamma 32P-ATP] and ATP by liquid scintillation counting method
50016090	5	ChEMBL_2203502 (CHEMBL5116210)	Inhibition of mouse glutathione S-transferase-tagged Clk2 expressed in Escherichia coli DH5alpha using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH peptide as substrate in presence of [gamma 32P-ATP] and ATP by liquid scintillation counting method
50016090	6	ChEMBL_2203503 (CHEMBL5116211)	Inhibition of mouse glutathione S-transferase-tagged Clk4 expressed in Escherichia coli DH5alpha using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH peptide as substrate in presence of [gamma 32P-ATP] and ATP by liquid scintillation counting method
50016090	7	ChEMBL_2203504 (CHEMBL5116212)	Inhibition of mouse glutathione S-transferase-tagged Dyrk1A expressed in Escherichia coli DH5alpha using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH peptide as substrate in presence of [gamma 32P-ATP] and ATP by liquid scintillation counting method
50016090	8	ChEMBL_2203507 (CHEMBL5116215)	Inhibition of N-terminal FLAG-tagged human Clk1 using myelin basic protein as substrate preincubated for 10 mins followed by ATP addition measured after 45 mins by fluorescence based microplate reader analysis
50016090	9	ChEMBL_2203508 (CHEMBL5116216)	Inhibition of N-terminal FLAG-tagged human Clk2 using myelin basic protein as substrate preincubated for 10 mins followed by ATP addition measured after 45 mins by fluorescence based microplate reader analysis
50016090	10	ChEMBL_2203509 (CHEMBL5116217)	Inhibition of N-terminal FLAG-tagged human DYRK1A using myelin basic protein as substrate preincubated for 10 mins followed by ATP addition measured after 45 mins by fluorescence based microplate reader analysis
50016090	11	ChEMBL_2203512 (CHEMBL5116220)	Inhibition of human recombinant GST-tagged Clk1 (129 to 484 residues) expressed in Escherichia coli expression system using GRSRSRSRSRSRSRSR peptide as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by ADP-Glo assay
50016090	12	ChEMBL_2203513 (CHEMBL5116221)	Inhibition of human recombinant GST-tagged Clk2 expressed in Baculovirus expression system using GRSRSRSRSRSRSRSR peptide as substrate preincubated for 10 mins followed by ATP addition measured after 30 mins by ADP-Glo assay
50016090	13	ChEMBL_2203515 (CHEMBL5116223)	Inhibition of human recombinant Clk1 (130 to end residues) using ERMRPRKRQGSVR peptide as substrate incubated for 40 mins in presence of [gamma 32P-ATP] and ATP by radiometric analysis
50016090	14	ChEMBL_2203516 (CHEMBL5116224)	Inhibition of human recombinant Clk2 (138 to end residues) using YRRAAVPPSPSLSR peptide as substrate incubated for 40 mins in presence of [gamma 32P-ATP] and ATP by radiometric analysis
50016090	15	ChEMBL_2203517 (CHEMBL5116225)	Inhibition of human recombinant Clk4 (128 to end residues) using YRRAAVPPSPSLS peptide as substrate incubated for 40 mins in presence of [gamma 32P-ATP] and ATP by radiometric analysis
50016090	16	ChEMBL_2203518 (CHEMBL5116226)	Inhibition of human recombinant full length DYRK1A using RRRFRPASPLRGPP peptide as substrate incubated for 40 mins in presence of [gamma 32P-ATP] and ATP by radiometric analysis
50016090	17	ChEMBL_2203521 (CHEMBL5116229)	Inhibition of human recombinant GST-tagged Clk1 (129 to 484 residues) expressed in Escherichia coli expression system using GRSRSRSRSRSRSRSR peptide as substrate in presence of ATP
50016090	18	ChEMBL_2203522 (CHEMBL5116230)	Inhibition of human recombinant GST-tagged Clk2 expressed in Baculovirus expression system using GRSRSRSRSRSRSRSR peptide as substrate in presence of ATP
50016090	19	ChEMBL_2203523 (CHEMBL5116231)	Inhibition of human recombinant GST tagged full length DYRK1A expressed in Baculovirus expression system using GRSRSRSRSRSRSRSR peptide as substrate in presence of ATP
50016091	1	ChEMBL_2203563 (CHEMBL5116271)	Inhibition of CYP1A2 (unknown origin)
50016091	2	ChEMBL_2203564 (CHEMBL5116272)	Inhibition of CYP2C9 (unknown origin)
50016091	3	ChEMBL_2203565 (CHEMBL5116273)	Inhibition of CYP2C19 (unknown origin)
50016091	4	ChEMBL_2203566 (CHEMBL5116274)	Inhibition of CYP2D6 (unknown origin)
50016091	5	ChEMBL_2203567 (CHEMBL5116275)	Inhibition of CYP3A4 (unknown origin)
50016091	6	ChEMBL_2203568 (CHEMBL5116276)	Inhibition of human ERG
50016091	7	ChEMBL_2203597 (CHEMBL5116305)	Inhibition of human Cav1.2
50016091	8	ChEMBL_2203598 (CHEMBL5116306)	Inhibition of Nav1.5 (unknown origin)
50016092	1	ChEMBL_2203612 (CHEMBL5116320)	Inhibition of PARP-1 derived from human HeLa cell nucleus
50016092	2	ChEMBL_2203613 (CHEMBL5116321)	Inhibition of HDAC derived from human HeLa cell nucleus
50016092	3	ChEMBL_2203620 (CHEMBL5116328)	Inhibition of HDAC2 (unknown origin)
50016092	4	ChEMBL_2203621 (CHEMBL5116329)	Inhibition of HDAC3 (unknown origin)
50016092	5	ChEMBL_2203622 (CHEMBL5116330)	Inhibition of HDAC4 (unknown origin)
50016092	6	ChEMBL_2203623 (CHEMBL5116331)	Inhibition of HDAC6 (unknown origin)
50016092	7	ChEMBL_2203624 (CHEMBL5116332)	Inhibition of HDAC8 (unknown origin)
50016092	8	ChEMBL_2203629 (CHEMBL5116337)	Inhibition of VEGFR2 (unknown origin)
50016093	1	ChEMBL_2203637 (CHEMBL5116345)	Inhibition of PI3Kalpha (unknown origin)
50016093	2	ChEMBL_2203638 (CHEMBL5116346)	Inhibition of HDAC1 (unknown origin)
50016093	3	ChEMBL_2203639 (CHEMBL5116347)	Inhibition of PI3Kdelta (unknown origin)
50016093	4	ChEMBL_2203640 (CHEMBL5116348)	Inhibition of PI3Kbeta (unknown origin)
50016093	5	ChEMBL_2203641 (CHEMBL5116349)	Inhibition of PI3Kgammaa (unknown origin)
50016093	6	ChEMBL_2203642 (CHEMBL5116350)	Inhibition of HDAC2 (unknown origin)
50016093	7	ChEMBL_2203643 (CHEMBL5116351)	Inhibition of HDAC4 (unknown origin)
50016093	8	ChEMBL_2203644 (CHEMBL5116352)	Inhibition of HDAC6 (unknown origin)
50016093	9	ChEMBL_2203645 (CHEMBL5116353)	Inhibition of HDAC8 (unknown origin)
50016093	10	ChEMBL_2203646 (CHEMBL5116354)	Inhibition of HDAC11 (unknown origin)
50016098	1	ChEMBL_2203726 (CHEMBL5116434)	Modulation of capsid assembly in HBV infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication
50016099	1	ChEMBL_2203766 (CHEMBL5116474)	Inhibition of electric eel AChE using acetylcholine iodide as a substrate and measured for 125 sec by DTNB based Ellman's method
50016099	2	ChEMBL_2203767 (CHEMBL5116475)	Inhibition of Equine serum BuChE using S-butyrylthiocholine iodide as a substrate and measured for 125 sec by DTNB based Ellman's method
50016099	3	ChEMBL_2203768 (CHEMBL5116476)	Inhibition of Equine serum BuChE assessed as inhibitory constants for binding the free enzyme using S-butyrylthiocholine iodide as a substrate by Cornish-Bowden plot analysis
50016099	4	ChEMBL_2203769 (CHEMBL5116477)	Inhibition of Equine serum BuChE assessed as inhibitory constants for binding the enzyme-substrate complex using S-butyrylthiocholine iodide as a substrate by Cornish-Bowden plot analysis
50016099	5	ChEMBL_2203775 (CHEMBL5116483)	Inhibition of electric eel AChE using acetylcholine iodide as a substrate and measured upto 180 sec by DTNB based Ellman's method
50016100	1	ChEMBL_2203776 (CHEMBL5116484)	Inhibition of PSMA in human LNCaP cell extracts using NAAG as substrate by amplex red reagent based assay
50016102	1	ChEMBL_2203814 (CHEMBL5116522)	Agonist activity at wild type human STING C-terminal domain (139 to 379 residues) assessed as dissociation constant by isothermal titration calorimetry analysis
50016102	2	ChEMBL_2203815 (CHEMBL5116523)	Agonist activity at STING (unknown origin)
50016102	3	ChEMBL_2203817 (CHEMBL5116525)	Binding affinity to mouse STING assessed as dissociation constant
50016102	4	ChEMBL_2203818 (CHEMBL5116526)	Binding affinity to human wild type STING assessed as dissociation constant
50016102	5	ChEMBL_2203819 (CHEMBL5116527)	Inhibition of human wild type STING
50016102	6	ChEMBL_2203820 (CHEMBL5116528)	Agonist activity at human STING HAQ mutant
50016102	7	ChEMBL_2203822 (CHEMBL5116530)	Agonist activity at mouse STING
50016102	8	ChEMBL_2203823 (CHEMBL5116531)	Inhibition of human wild type STING by HTRF assay
50016102	9	ChEMBL_2203824 (CHEMBL5116532)	Agonist activity at STING in human THP-1 cells
50016102	10	ChEMBL_2203825 (CHEMBL5116533)	Agonist activity at wild type human STING in HEK cells
50016102	11	ChEMBL_2203826 (CHEMBL5116534)	Agonist activity at human STING
50016102	12	ChEMBL_2203829 (CHEMBL5116537)	Agonist activity at STING in human THP1-Dual cells assessed as ISG activation incubated for 24 hrs by Quanti-luc reagent based assay
50016102	13	ChEMBL_2203830 (CHEMBL5116538)	Agonist activity at STING in mouse RAW-Lucia ISG cells assessed as ISG activation incubated for 24 hrs by Quanti-luc reagent based assay
50016102	14	ChEMBL_2203866 (CHEMBL5116574)	Agonist activity at human wild type STING
50016104	1	ChEMBL_2203869 (CHEMBL5116577)	Agonist activity at Kv7.2 (unknown origin) assessed as shifting of voltage dependent activation to more negative potentials by SyncroPatch assay
50016104	2	ChEMBL_2203874 (CHEMBL5116582)	Agonist activity at Kv7.2/3 (unknown origin) expressed in CHO cells co-expressing GFP
50016104	3	ChEMBL_2203875 (CHEMBL5116583)	Agonist activity at Kv7.4 (unknown origin) expressed in CHO cells co-expressing GFP
50016104	4	ChEMBL_2203876 (CHEMBL5116584)	Agonist activity at Kv7.5 (unknown origin) expressed in CHO cells co-expressing GFP
50016105	1	ChEMBL_2203902 (CHEMBL5116610)	Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells by CRE- horseradish peroxidase-coupled high throughput screening method
50016105	2	ChEMBL_2203904 (CHEMBL5116612)	Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells in presence of CFTR corrector C1 by CRE- horseradish peroxidase-coupled high throughput screening method
50016105	3	ChEMBL_2203907 (CHEMBL5116615)	Potentiation of homozygous CFTR F508del mutant in human HBE cells by trans-epithelial current clamp assay
50016107	1	ChEMBL_2204015 (CHEMBL5116723)	Inhibition of HDAC1 (unknown origin)
50016107	2	ChEMBL_2204016 (CHEMBL5116724)	Inhibition of HDAC2 (unknown origin)
50016107	3	ChEMBL_2204017 (CHEMBL5116725)	Inhibition of HDAC3 (unknown origin)
50016107	4	ChEMBL_2204018 (CHEMBL5116726)	Inhibition of HDAC6 (unknown origin)
50016107	5	ChEMBL_2204019 (CHEMBL5116727)	Inhibition of HDAC8 (unknown origin)
50016108	1	ChEMBL_2204065 (CHEMBL5116773)	Inhibition of G9a (unknown origin)
50016108	2	ChEMBL_2204066 (CHEMBL5116774)	Inhibition of GLP (unknown origin)
50016109	1	ChEMBL_2204085 (CHEMBL5116793)	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50016109	2	ChEMBL_2204086 (CHEMBL5116794)	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50016109	3	ChEMBL_2204088 (CHEMBL5116796)	Binding affinity to MOR (unknown origin) assessed as inhibition constant by radioligand binding assay
50016109	4	ChEMBL_2204089 (CHEMBL5116797)	Binding affinity to DOR (unknown origin) assessed as inhibition constant by radioligand binding assay
50016109	5	ChEMBL_2204090 (CHEMBL5116798)	Binding affinity to KOR (unknown origin) assessed as inhibition constant by radioligand binding assay
50016110	1	ChEMBL_2204104 (CHEMBL5116812)	Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins in the presence of ATP by Kinase-Glo luminescence assay
50016110	2	ChEMBL_2204108 (CHEMBL5116816)	Inhibition of DNA-PK (unknown origin) in the presence of ATP
50016111	1	ChEMBL_2204122 (CHEMBL5116830)	Displacement of [3H]spiperone from recombinant human D4 receptor stably expressed in HEK293 cells
50016111	2	ChEMBL_2204123 (CHEMBL5116831)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting analysis
50016111	3	ChEMBL_2204127 (CHEMBL5116835)	Displacement of [3H]methyl-spiperone from recombinant human D2S receptor measured after 60 mins by scintillation counting analysis
50016111	4	ChEMBL_2204128 (CHEMBL5116836)	Displacement of [3H]methyl-spiperone from recombinant human D3 receptor measured after 60 mins by scintillation counting analysis
50016111	5	ChEMBL_2204129 (CHEMBL5116837)	Displacement of [3H]methyl-spiperone from recombinant human D4.4 receptor measured after 60 mins by scintillation counting analysis
50016111	6	ChEMBL_2204130 (CHEMBL5116838)	Displacement of [3H]-(+)-pentazocine from human sigma1 receptor measured after 120 mins by scintillation counting analysis
50016111	7	ChEMBL_2204131 (CHEMBL5116839)	Displacement of [3H]dofetilide from recombinant human ERG stably expressed in HEK293 cell membranes measured after 60 mins by scintillation counting analysis
50016112	1	ChEMBL_2204133 (CHEMBL5116841)	Inhibition of His6-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate preincubated for 15 mins followed by substrate addition by FRET analysis
50016112	2	ChEMBL_2204135 (CHEMBL5116843)	Inhibition of His6-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate preincubated for 15 mins followed by substrate addition in presence of Triton-X by FRET analysis
50016113	1	ChEMBL_2204307 (CHEMBL5117015)	Inhibition of JNK3 (unknown origin)
50016113	2	ChEMBL_2204308 (CHEMBL5117016)	Inhibition of FLT4 (unknown origin)
50016113	3	ChEMBL_2204312 (CHEMBL5117020)	Inhibition of JNK1-alpha-1 (unknown origin)
50016113	4	ChEMBL_2204313 (CHEMBL5117021)	Inhibition of JNK2-alpha-2 (unknown origin)
50016113	5	ChEMBL_2204316 (CHEMBL5117024)	Inhibition of PDGFRalpha (unknown origin)
50016113	6	ChEMBL_2204354 (CHEMBL5117062)	Inhibition of JNK3 in human HEK293 cells transfected with JNK3-NanoLuc fusion vector measured after 1 hr by NanoBRET assay
50016113	7	ChEMBL_2204355 (CHEMBL5117063)	Inhibition of CYP2D6 (unknown origin) using EOMCC as a substrate
50016113	8	ChEMBL_2204356 (CHEMBL5117064)	Inhibition of CYP3A4 (unknown origin) using BOMCC as a substrate
50016113	9	ChEMBL_2204357 (CHEMBL5117065)	Inhibition of hERG measured by fluorescence polarization assay
50016114	1	ChEMBL_2204360 (CHEMBL5117068)	Inhibition of human PARP1 using chemiluminescent HRP substrate measured after 3 hrs by highly sensitive fluorescence assay
50016115	1	ChEMBL_2204398 (CHEMBL5117106)	Inhibition of rat nNOS using L-arginine as substrate assessed as reduction in NO production in the presence of NADPH by NO-hemoglobin capture assay
50016115	2	ChEMBL_2204399 (CHEMBL5117107)	Inhibition of human nNOS using L-arginine as substrate assessed as reduction in NO production in the presence of NADPH by NO-hemoglobin capture assay
50016115	3	ChEMBL_2204400 (CHEMBL5117108)	Inhibition of human iNOS using L-arginine as substrate assessed as reduction in NO production in the presence of NADPH by NO-hemoglobin capture assay
50016115	4	ChEMBL_2204401 (CHEMBL5117109)	Inhibition of human eNOS using L-arginine as substrate assessed as reduction in NO production in the presence of NADPH by NO-hemoglobin capture assay
50016117	1	ChEMBL_2204444 (CHEMBL5117152)	Inhibition of COX-2 (unknown origin)
50016118	1	ChEMBL_2204519 (CHEMBL5117227)	Inhibition of recombinant human Wnt3a in HEK293 cells assessed as Wnt signalling by measuring reduction in relative luminescence units incubated for 24 hrs by luciferase reporter assay
50016119	1	ChEMBL_2204526 (CHEMBL5117234)	Inhibition of Klebsiella pneumoniae UGM expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by fluorescence polarization assay
50016119	2	ChEMBL_2204527 (CHEMBL5117235)	Inhibition of Mycobacterium tuberculosis UGM expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by fluorescence polarization assay
50016119	3	ChEMBL_2204529 (CHEMBL5117237)	Inhibition of Mycobacterium tuberculosis UGM expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by SPR analysis
50016120	1	ChEMBL_2204554 (CHEMBL5117262)	Inhibition of CYP1A2 (unknown origin)
50016120	2	ChEMBL_2204555 (CHEMBL5117263)	Inhibition of CYP2B6 (unknown origin)
50016120	3	ChEMBL_2204556 (CHEMBL5117264)	Inhibition of CYP2C8 (unknown origin)
50016120	4	ChEMBL_2204557 (CHEMBL5117265)	Inhibition of CYP2C9 (unknown origin)
50016120	5	ChEMBL_2204558 (CHEMBL5117266)	Inhibition of CYP2C19 (unknown origin)
50016120	6	ChEMBL_2204559 (CHEMBL5117267)	Inhibition of CYP2D6 (unknown origin)
50016120	7	ChEMBL_2204560 (CHEMBL5117268)	Inhibition of CYP3A4 (unknown origin)
50016120	8	ChEMBL_2204561 (CHEMBL5117269)	Inhibition of human ERG
50016120	9	ChEMBL_2204570 (CHEMBL5117278)	Inhibition of human Cav1.2
50016120	10	ChEMBL_2204571 (CHEMBL5117279)	Inhibition of Kir2.1 (unknown origin)
50016120	11	ChEMBL_2204572 (CHEMBL5117280)	Inhibition of Kv4.3 (unknown origin)
50016120	12	ChEMBL_2204573 (CHEMBL5117281)	Inhibition of NaV 1.5 (unknown origin)
50016121	1	ChEMBL_2204591 (CHEMBL5117299)	Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysis
50016121	2	ChEMBL_2204592 (CHEMBL5117300)	Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence plate reader analysis
50016121	3	ChEMBL_2204599 (CHEMBL5117307)	Inhibition of N-terminal His/SUMO tagged recombinant SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-MetGlu-EDANS as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016121	4	ChEMBL_2204603 (CHEMBL5117311)	Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence plate reader analysis
50016121	5	ChEMBL_2204604 (CHEMBL5117312)	Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by fluorescence plate reader analysis
50016122	1	ChEMBL_2204618 (CHEMBL5117326)	Inhibition of Pim-1 (unknown origin) measured by ADP-Glo kinase assay
50016123	1	ChEMBL_2204620 (CHEMBL5117328)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by DTNB reagent based Ellman's method
50016123	2	ChEMBL_2204621 (CHEMBL5117329)	Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate by DTNB reagent based Ellman's method
50016123	3	ChEMBL_2204623 (CHEMBL5117331)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by DTNB reagent based spectrophotometry analysis
50016123	4	ChEMBL_2204624 (CHEMBL5117332)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and by DTNB reagent based Ellman's method
50016123	5	ChEMBL_2204625 (CHEMBL5117333)	Displacement of [3H]GR113808 from human 5-HT4 receptor expressed in Chem-1 cell membrane incubated for 60 mins by radiometric scintillation counting analysis
50016126	1	ChEMBL_2204627 (CHEMBL5117335)	Inhibition of wild-type recombinant HIV-1 group M subtype B BH10 reverse transcriptase RNase-associated RNase H activity expressed in Escherichia coli XL1 blue using 32P-labeled 5'-UUUUUUUUUAGGAUACAUAUGGUUAAAGUAU-3'/5'-ATACTTTAACCATATGTATCC-3' RNA/DNA template-primer as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by phosphorimaging analysis
50016127	1	ChEMBL_2204647 (CHEMBL5117355)	Binding affinity to PARP1 (unknown origin)
50016129	1	ChEMBL_2204679 (CHEMBL5117387)	Inhibition of human recombinant PARP1 in presence of NAD+ by ELISA
50016131	1	ChEMBL_2204771 (CHEMBL5117479)	Binding affinity to recombinant RIPK2 (unknown origin) measured by surface plasmon resonance analysis
50016131	2	ChEMBL_2204772 (CHEMBL5117480)	Binding affinity to recombinant RIPK2 (unknown origin) measured by microscale thermophoresis (MST) assay
50016132	1	ChEMBL_2204847 (CHEMBL5117555)	Binding affinity to ATR (unknown origin) assessed as inhibition constant
50016134	1	ChEMBL_2204934 (CHEMBL5117642)	Inhibition of wild type HIV-1 Reverse transcriptase
50016134	2	ChEMBL_2204935 (CHEMBL5117643)	Inhibition of CYP1A2 (unknown origin)
50016134	3	ChEMBL_2204936 (CHEMBL5117644)	Inhibition of CYP2C9 (unknown origin)
50016134	4	ChEMBL_2204937 (CHEMBL5117645)	Inhibition of CYP2C19 (unknown origin)
50016134	5	ChEMBL_2204938 (CHEMBL5117646)	Inhibition of CYP2D6 (unknown origin)
50016134	6	ChEMBL_2204939 (CHEMBL5117647)	Inhibition of CYP3A4T (unknown origin)
50016134	7	ChEMBL_2204940 (CHEMBL5117648)	Inhibition of CYP3A4M (unknown origin)
50016134	8	ChEMBL_2204956 (CHEMBL5117664)	Inhibition of human ERG potassium channel expressed in CHO cells by automated patch clamp electrophysiological assay
50016135	1	ChEMBL_2204982 (CHEMBL5117690)	Inhibition of HDAC6 (unknown origin) measured by fluorometry assay
50016135	2	ChEMBL_2204983 (CHEMBL5117691)	Inhibition of HDAC8 (unknown origin) measured by fluorometry assay
50016135	3	ChEMBL_2204984 (CHEMBL5117692)	Inhibition of HDAC11 (unknown origin) measured by fluorometry assay
50016136	1	ChEMBL_2205152 (CHEMBL5117860)	Inhibition of SAH hydrolase (unknown origin)
50016137	1	ChEMBL_2205175 (CHEMBL5117883)	Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor measured after 60 mins by scintillation counting analysis
50016137	2	ChEMBL_2205178 (CHEMBL5117886)	Displacement of [125I]CYP from rat brain 5HT1B receptor measured after 120 mins by scintillation counting analysis
50016137	3	ChEMBL_2205179 (CHEMBL5117887)	Displacement of [125I](+/-)DOI from recombinant human 5-HT2A receptor measured after 60 mins by scintillation counting analysis
50016137	4	ChEMBL_2205180 (CHEMBL5117888)	Displacement of [125I](+/-)DOI from recombinant human 5-HT2B receptor measured after 60 mins by scintillation counting analysis
50016137	5	ChEMBL_2205181 (CHEMBL5117889)	Displacement of [125I](+/-)DOI from recombinant human 5-HT2C receptor measured after 60 mins by scintillation counting analysis
50016137	6	ChEMBL_2205182 (CHEMBL5117890)	Displacement of [3H]LSD from recombinant human 5-HT6 receptor measured after 120 mins by scintillation counting analysis
50016137	7	ChEMBL_2205183 (CHEMBL5117891)	Displacement of [3H]LSD from recombinant human 5-HT7 receptor measured after 120 mins by scintillation counting analysis
50016137	8	ChEMBL_2205184 (CHEMBL5117892)	Displacement of [3H]SCH 23390 from recombinant human D1 receptor measured after 60 mins by scintillation counting analysis
50016137	9	ChEMBL_2205185 (CHEMBL5117893)	Displacement of [3H]7-OH-DPAT from recombinant human D2S receptor measured after 60 mins by scintillation counting analysis
50016137	10	ChEMBL_2205186 (CHEMBL5117894)	Displacement of [3H]methyl-spiperone from recombinant human D3 receptor measured after 60 mins by scintillation counting analysis
50016137	11	ChEMBL_2205187 (CHEMBL5117895)	Displacement of [3H]methyl-spiperone from recombinant human D4.4 receptor measured after 60 mins by scintillation counting analysis
50016137	12	ChEMBL_2205188 (CHEMBL5117896)	Displacement of [3H]SCH 23390 from recombinant human D5 receptor measured after 60 mins by scintillation counting analysis
50016137	13	ChEMBL_2205189 (CHEMBL5117897)	Displacement of [3H]prazosin from recombinant human alpha1A receptor measured after 60 mins by scintillation counting analysis
50016137	14	ChEMBL_2205190 (CHEMBL5117898)	Displacement of [3H]prazosin from recombinant human alpha1B receptor measured after 60 mins by scintillation counting analysis
50016137	15	ChEMBL_2205191 (CHEMBL5117899)	Displacement of [3H]prazosin from recombinant human alpha1D receptor measured after 60 mins by scintillation counting analysis
50016137	16	ChEMBL_2205192 (CHEMBL5117900)	Displacement of [3H]RX 821002 from recombinant human alpha2A receptor measured after 60 mins by scintillation counting analysis
50016137	17	ChEMBL_2205193 (CHEMBL5117901)	Displacement of [3H]RX 821002 from recombinant human alpha2B receptor measured after 60 mins by scintillation counting analysis
50016137	18	ChEMBL_2205194 (CHEMBL5117902)	Displacement of [3H]RX 821002 from recombinant human alpha2C receptor measured after 60 mins by scintillation counting analysis
50016137	19	ChEMBL_2205195 (CHEMBL5117903)	Displacement of [3H]BTCP from recombinant human DAT measured after 120 mins by scintillation counting analysis
50016137	20	ChEMBL_2205196 (CHEMBL5117904)	Displacement of [3H]pyrilamine from recombinant human H1 receptor measured after 60 mins by scintillation counting analysis
50016138	1	ChEMBL_2205221 (CHEMBL5117929)	Inhibition of EGFR del18/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay
50016138	2	ChEMBL_2205222 (CHEMBL5117930)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay
50016138	3	ChEMBL_2205223 (CHEMBL5117931)	Inhibition of wild type EGFR (unknown origin) using TK as substrate incubated for 120 mins in the presence of ATP by HTRF assay
50016138	4	ChEMBL_2205232 (CHEMBL5117940)	Inhibition of MET (unknown origin)
50016138	5	ChEMBL_2205233 (CHEMBL5117941)	Inhibition of RET (unknown origin)
50016138	6	ChEMBL_2205234 (CHEMBL5117942)	Inhibition of AURA (unknown origin)
50016138	7	ChEMBL_2205235 (CHEMBL5117943)	Inhibition of AXL (unknown origin)
50016138	8	ChEMBL_2205236 (CHEMBL5117944)	Inhibition of EphA1 (unknown origin)
50016138	9	ChEMBL_2205237 (CHEMBL5117945)	Inhibition of EphB2 (unknown origin)
50016138	10	ChEMBL_2205238 (CHEMBL5117946)	Inhibition of FER (unknown origin)
50016138	11	ChEMBL_2205239 (CHEMBL5117947)	Inhibition of PDGFRbeta (unknown origin)
50016138	12	ChEMBL_2205240 (CHEMBL5117948)	Inhibition of ROS (unknown origin)
50016138	13	ChEMBL_2205241 (CHEMBL5117949)	Inhibition of JAK2 (unknown origin)
50016138	14	ChEMBL_2205242 (CHEMBL5117950)	Inhibition of P38alpha (unknown origin)
50016138	15	ChEMBL_2205243 (CHEMBL5117951)	Inhibition of CDK6/cyclin-D3 (unknown origin)
50016138	16	ChEMBL_2205244 (CHEMBL5117952)	Inhibition of BTK (unknown origin)
50016138	17	ChEMBL_2205245 (CHEMBL5117953)	Inhibition of PIM1 (unknown origin)
50016138	18	ChEMBL_2205246 (CHEMBL5117954)	Inhibition of RSK1 (unknown origin)
50016138	19	ChEMBL_2205247 (CHEMBL5117955)	Inhibition of BRK (unknown origin)
50016138	20	ChEMBL_2205248 (CHEMBL5117956)	Inhibition of AKT3 (unknown origin)
50016138	21	ChEMBL_2205249 (CHEMBL5117957)	Inhibition of ERK1 (unknown origin)
50016138	22	ChEMBL_2205250 (CHEMBL5117958)	Inhibition of PKD1 (unknown origin)
50016138	23	ChEMBL_2205251 (CHEMBL5117959)	Inhibition of c-KIT (unknown origin)
50016138	24	ChEMBL_2205252 (CHEMBL5117960)	Inhibition of PDGFRalpha (unknown origin)
50016138	25	ChEMBL_2205253 (CHEMBL5117961)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50016138	26	ChEMBL_2205254 (CHEMBL5117962)	Inhibition of BRAF (unknown origin)
50016138	27	ChEMBL_2205255 (CHEMBL5117963)	Inhibition of FAK (unknown origin)
50016138	28	ChEMBL_2205256 (CHEMBL5117964)	Inhibition of CHK1 (unknown origin)
50016138	29	ChEMBL_2205257 (CHEMBL5117965)	Inhibition of ROCK1 (unknown origin)
50016138	30	ChEMBL_2205258 (CHEMBL5117966)	Inhibition of JNK1 (unknown origin)
50016138	31	ChEMBL_2205259 (CHEMBL5117967)	Inhibition of PI3Kalpha (unknown origin)
50016140	1	ChEMBL_2205314 (CHEMBL5118022)	Inhibition of CYP3A2 in rat liver microsomes using midazolam as substrate
50016140	2	ChEMBL_2205315 (CHEMBL5118023)	Inhibition of CYP1A2 in rat liver microsomes using phenacetin as substrate
50016140	3	ChEMBL_2205316 (CHEMBL5118024)	Inhibition of CYP2D1 in rat liver microsomes using dextromethorphan as substrate
50016140	4	ChEMBL_2205317 (CHEMBL5118025)	Inhibition of CYP2E1 in rat liver microsomes using chlorzoxazone as substrate
50016140	5	ChEMBL_2205318 (CHEMBL5118026)	Inhibition of CYP2C6 in rat liver microsomes using diclofenac as substrate
50016142	1	ChEMBL_2205530 (CHEMBL5118238)	Inhibition of HDAC7 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence plate reader
50016142	2	ChEMBL_2205531 (CHEMBL5118239)	Inhibition of HDAC6 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence plate reader
50016142	3	ChEMBL_2205532 (CHEMBL5118240)	Inhibition of His-tagged N-terminal recombinant HSP90alpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 4 hrs by fluorescence polarization based microplate reader assay
50016142	4	ChEMBL_2205534 (CHEMBL5118242)	Inhibition of HDAC1 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence plate reader
50016142	5	ChEMBL_2205535 (CHEMBL5118243)	Inhibition of HDAC3 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorescence plate reader
50016143	1	ChEMBL_2205587 (CHEMBL5118295)	Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as substrate incubated for 1 hr and measured by BCA assay
50016143	2	ChEMBL_2205588 (CHEMBL5118296)	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate and measured by LC-MS/MS analysis
50016143	3	ChEMBL_2205589 (CHEMBL5118297)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate and measured by LC-MS/MS analysis
50016143	4	ChEMBL_2205590 (CHEMBL5118298)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate and measured by LC-MS/MS analysis
50016143	5	ChEMBL_2205591 (CHEMBL5118299)	Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate and measured by LC-MS/MS analysis
50016143	6	ChEMBL_2205592 (CHEMBL5118300)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate and measured by LC-MS/MS analysis
50016146	1	ChEMBL_2205602 (CHEMBL5118310)	Displacement of [3H]-LSD from human 5HT6R expressed in CHO cell membranes incubated for 120 mins by scintillation counter method
50016146	2	ChEMBL_2205604 (CHEMBL5118312)	Antagonist activity at recombinant human 5HT6R expressed in CHO cells assessed as inhibition of 5HT-stimulated cAMP accumulation incubated for 4 hrs by luminescence counter analysis
50016146	3	ChEMBL_2205634 (CHEMBL5118342)	Inhibition of CYP1A2 in human liver microsomes preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50016146	4	ChEMBL_2205635 (CHEMBL5118343)	Inhibition of CYP2C9 in human liver microsomes preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50016146	5	ChEMBL_2205636 (CHEMBL5118344)	Inhibition of CYP2C19 in human liver microsomes preincubated for 10 mins followed by NADPH addition and measured after 45 mins by LC-MS/MS analysis
50016146	6	ChEMBL_2205637 (CHEMBL5118345)	Inhibition of CYP2D6 in human liver microsomes preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50016146	7	ChEMBL_2205638 (CHEMBL5118346)	Inhibition of CYP3A4 in human liver microsomes preincubated for 10 mins followed by NADPH addition and measured after 5 mins by LC-MS/MS analysis
50016147	1	ChEMBL_2205644 (CHEMBL5118352)	Antagonist activity at human OX1R expressed in CHO-K1 cells assessed as inhibition of orexin-A-induced increase in calcium mobilization preincubated for 15 mins followed orexin-A stimulation by Fura-2-AM dye based fluorescence assay
50016147	2	ChEMBL_2205645 (CHEMBL5118353)	Antagonist activity at human OX2R expressed in CHO-K1 cells assessed as inhibition of orexin-A-induced increase in calcium mobilization preincubated for 15 mins followed orexin-A stimulation by Fura-2-AM dye based fluorescence assay
50016150	1	ChEMBL_2205665 (CHEMBL5118373)	Inhibition of His/SUMO tagged SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using DABCYL-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDANS as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence plate reader analysis
50016150	2	ChEMBL_2205666 (CHEMBL5118374)	Inhibition of N-terminal recombinant SARS-CoV2 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-TSAVLQ-SGFRKMK-Edans as substrate incubated for 1 hrs by fluorescence based assay
50016150	3	ChEMBL_2205667 (CHEMBL5118375)	Inhibition of SARS-CoV2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) cells using Dabcyl-KTSAVLQ/SGFRKME (Edans) as substrate incubated for 1 hrs by FRET-based method
50016150	4	ChEMBL_2205668 (CHEMBL5118376)	Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysis
50016151	1	ChEMBL_2205692 (CHEMBL5118400)	Antagonist activity at human P2X3R expressed in HEK293 cells assessed as reduction in alphabeta-MeATP-induced intracellular Ca2+ influx pretreated with compound followed by alphabeta-MeATP addition and measured by Fluo-4 dye fluorescence analysis
50016152	1	ChEMBL_2205772 (CHEMBL5118480)	Inhibition of recombinant human Sirt5 incubated for 1 hr by FLUOR DE LYS fluorometric microplate reader assay
50016152	2	ChEMBL_2205777 (CHEMBL5118485)	Binding affinity to Sirt5 in human MCF7 cell lysate by pull down assay based LC-MS/MS analysis
50016152	3	ChEMBL_2205778 (CHEMBL5118486)	Binding affinity to NME4 in human MCF7 cell lysate by pull down assay based LC-MS/MS analysis
50016152	4	ChEMBL_2205779 (CHEMBL5118487)	Binding affinity to GCDH in human MCF7 cell lysate by pull down assay based LC-MS/MS analysis
50016154	1	ChEMBL_2205795 (CHEMBL5118503)	Inhibition of HDAC1 (unknown origin) by colorimetric method
50016154	2	ChEMBL_2205796 (CHEMBL5118504)	Inhibition of HDAC2 (unknown origin) by colorimetric method
50016154	3	ChEMBL_2205797 (CHEMBL5118505)	Inhibition of HDAC3 (unknown origin) by colorimetric method
50016154	4	ChEMBL_2205798 (CHEMBL5118506)	Inhibition of HDAC4 (unknown origin) by colorimetric method
50016154	5	ChEMBL_2205799 (CHEMBL5118507)	Inhibition of HDAC5 (unknown origin) by colorimetric method
50016154	6	ChEMBL_2205800 (CHEMBL5118508)	Inhibition of HDAC6 (unknown origin) by colorimetric method
50016154	7	ChEMBL_2205801 (CHEMBL5118509)	Inhibition of HDAC7 (unknown origin) by colorimetric method
50016154	8	ChEMBL_2205802 (CHEMBL5118510)	Inhibition of HDAC8 (unknown origin) by colorimetric method
50016154	9	ChEMBL_2205803 (CHEMBL5118511)	Inhibition of HDAC9 (unknown origin) by colorimetric method
50016156	1	ChEMBL_2205835 (CHEMBL5118543)	Inhibition of FLT3 (unknown origin) preincubated with compound for 10 mins followed by substrate addition and measured after 1 hrs by ADP-Glo kinase assay
50016157	1	ChEMBL_2205864 (CHEMBL5118572)	Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using 2-Abz-Ser-AlaVal-Leu-Gln-Ser-Gly-Tyr(3-NO2)-Arg-OH as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by FRET assay
50016157	2	ChEMBL_2205866 (CHEMBL5118574)	Inhibition of full length DENV2 NS2B-NS3 protease in human HeLa cells expressing luciferase reporter gene incubated for 24 hrs by luminescence analysis
50016157	3	ChEMBL_2205875 (CHEMBL5118583)	Inhibition of C-terminal His tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant by Michaelis-Menten analysis
50016157	4	ChEMBL_2205879 (CHEMBL5118587)	Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate assessed as enzymatic cleavage preincubated for 15 mins followed by substrate addition and measured after 15 mins by Continuous fluorimetric assay
50016158	1	ChEMBL_2205890 (CHEMBL5118598)	Inhibition of MKK4 (unknown origin)
50016158	2	ChEMBL_2205891 (CHEMBL5118599)	Inhibition of MKK6 (unknown origin)
50016159	1	ChEMBL_2205902 (CHEMBL5118610)	Inhibition of LDHA in human Med1 cells using pyruvate as substrate incubated 10 mins by spectrophotometric analysis
50016159	2	ChEMBL_2205914 (CHEMBL5118622)	Inhibition of human LDHA using sodium pyruvate as substrate
50016159	3	ChEMBL_2205915 (CHEMBL5118623)	Inhibition of mouse LDHB using sodium pyruvate as substrate
50016159	4	ChEMBL_2205916 (CHEMBL5118624)	Inhibition of LDHA in human liver using pyruvate as substrate incubated for 3 mins by fluorescence assay
50016159	5	ChEMBL_2205917 (CHEMBL5118625)	Inhibition of LDHB in human heart using pyruvate as substrate incubated for 3 mins by fluorescence assay
50016161	1	ChEMBL_2205925 (CHEMBL5118633)	Inhibition of CD22 in human Daudi cells preincubated for 15 mins followed by biotinylated dimeric 2-(78-biotinoylamino-1,4,7,10,13,16-hexaoxa-octadecyl)-1,4-bis(2-aza-l-oxo-8-(sodium(5-acetamido-3,5,9-trideoxy-9-(4-phenylbenzamido)-D-glycero-a-D-galacto-non-2-ulopyranosyloxyonate))-5-thia-octyl) benzene probe addition incubated for 20 mins by flow cytometric analysis
50016161	2	ChEMBL_2205928 (CHEMBL5118636)	Inhibition hFc tagged CD22 incubated for 4 hrs by ELISA
50016165	1	ChEMBL_2205935 (CHEMBL5118643)	Binding affinity to full length human SMYD2 (1 to 433 residues) expressed in Escherichia coli strain BL21 (DE3) by ITC analysis
50016165	2	ChEMBL_2205936 (CHEMBL5118644)	Inhibition of full length human SMYD2 (1 to 433 residues) expressed in Escherichia coli strain BL21 (DE3) using p53 (361 to 380 residues) and [3H]-SAM as substrate incubated for 90 mins by SPA assay
50016165	3	ChEMBL_2205937 (CHEMBL5118645)	Inhibition of SMYD3 (unknown origin) using p53 (361 to 380 residues) and [3H]-SAM as substrate incubated for 90 mins by SPA assay
50016165	4	ChEMBL_2205938 (CHEMBL5118646)	Inhibition of FLAG-tagged SMYD2 (unknown origin) expressed in human U2OS cells mediated intracellular p53 methylation incubated for 24 hrs using p53 as substrate by immunofluorescence analysis
50016165	5	ChEMBL_2205939 (CHEMBL5118647)	Inhibition of SMYD2 (unknown origin) using [H3]-SAM and p53 (361 to 380 residues) as peptide substrate incubated for 1 hr by scintillation proximity assay
50016165	6	ChEMBL_2205940 (CHEMBL5118648)	Inhibition of SMYD2 (unknown origin) using [H3]-SAM and histone H4 as substrate incubated for 1 hr by scintillation proximity assay
50016165	7	ChEMBL_2205941 (CHEMBL5118649)	Inhibition of FLAG-tagged SMYD2 (unknown origin) expressed in human U2OS cells mediated intracellular P53 methylation incubated for 15 hrs using p53 as substrate by ELISA
50016165	8	ChEMBL_2205942 (CHEMBL5118650)	Inhibition of FLAG-tagged SMYD2 (unknown origin) expressed in human KYSE-150 cells mediated intracellular P53 methylation at lysine 370 incubated for 15 hrs using p53 as substrate by ELISA
50016165	9	ChEMBL_2205947 (CHEMBL5118655)	Inhibition of FLAG and C-terminally Avi-tagged full length SMYD2 (unknown origin) expressed in Sf9 cells using SAM and histone H3 (1 to 29 residues) as peptide substrate preincubated for 30 mins followed by substrate addition by radiometric assay
50016165	10	ChEMBL_2205948 (CHEMBL5118656)	Inhibition of human SMYD2 overexpressing human KYSE-150 cells assessed as SMYD2 assessed as reduction in BTF3 monomethylation by Western blot analysis
50016168	1	ChEMBL_2206232 (CHEMBL5118940)	Inhibition of human MMP-1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	2	ChEMBL_2206233 (CHEMBL5118941)	Inhibition of MMP-2 (unknown origin) activity using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 4 hrs followed by substrate addition for 4 hrs by fluorimetric assay
50016168	3	ChEMBL_2206234 (CHEMBL5118942)	Inhibition of MMP-1 (unknown origin) activity using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 4 hrs followed by substrate addition for 4 hrs by fluorimetric assay
50016168	4	ChEMBL_2206235 (CHEMBL5118943)	Inhibition of MMP-3 (unknown origin) activity using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 4 hrs followed by substrate addition for 4 hrs by fluorimetric assay
50016168	5	ChEMBL_2206236 (CHEMBL5118944)	Inhibition of MMP-1 (unknown origin)
50016168	6	ChEMBL_2206237 (CHEMBL5118945)	Inhibition of MMP-2 (unknown origin)
50016168	7	ChEMBL_2206238 (CHEMBL5118946)	Inhibition of MMP-3 (unknown origin)
50016168	8	ChEMBL_2206239 (CHEMBL5118947)	Inhibition of MMP-7 (unknown origin)
50016168	9	ChEMBL_2206240 (CHEMBL5118948)	Inhibition of MMP-8 (unknown origin)
50016168	10	ChEMBL_2206241 (CHEMBL5118949)	Inhibition of MMP-9 (unknown origin)
50016168	11	ChEMBL_2206242 (CHEMBL5118950)	Inhibition of MMP-12 (unknown origin)
50016168	12	ChEMBL_2206243 (CHEMBL5118951)	Inhibition of MMP-13 (unknown origin)
50016168	13	ChEMBL_2206244 (CHEMBL5118952)	Inhibition of MMP-14 (unknown origin)
50016168	14	ChEMBL_2206247 (CHEMBL5118955)	Inhibition of MMP-2 (unknown origin) catalytic activity using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5 as substrate and measured upto 30 mins by microplate reader analysis
50016168	15	ChEMBL_2206248 (CHEMBL5118956)	Inhibition of MMP-9 (unknown origin) catalytic activity using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5 as substrate and measured upto 30 mins by microplate reader analysis
50016168	16	ChEMBL_2206249 (CHEMBL5118957)	Inhibition of MMP-7 (unknown origin) activity using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 4 hrs followed by substrate addition for 4 hrs by fluorimetric assay
50016168	17	ChEMBL_2206250 (CHEMBL5118958)	Inhibition of MMP-9 (unknown origin) activity using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 4 hrs followed by substrate addition for 4 hrs by fluorimetric assay
50016168	18	ChEMBL_2206251 (CHEMBL5118959)	Inhibition of MMP-2 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition for 2 to 4 hrs by fluorimetric assay
50016168	19	ChEMBL_2206252 (CHEMBL5118960)	Inhibition of MMP-8 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition for 2 to 4 hrs by fluorimetric assay
50016168	20	ChEMBL_2206253 (CHEMBL5118961)	Inhibition of MMP-9 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition for 2 to 4 hrs by fluorimetric assay
50016168	21	ChEMBL_2206254 (CHEMBL5118962)	Inhibition of MMP-14 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition for 2 to 4 hrs by fluorimetric assay
50016168	22	ChEMBL_2206256 (CHEMBL5118964)	Inhibition of MMP-2 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorimetric assay
50016168	23	ChEMBL_2206257 (CHEMBL5118965)	Inhibition of MMP-9 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorimetric assay
50016168	24	ChEMBL_2206258 (CHEMBL5118966)	Inhibition of recombinant human MMP-1 using peptide substrate by ELISA
50016168	25	ChEMBL_2206259 (CHEMBL5118967)	Inhibition of recombinant human MMP-2 using peptide substrate by ELISA
50016168	26	ChEMBL_2206260 (CHEMBL5118968)	Inhibition of recombinant human MMP-3 using peptide substrate by ELISA
50016168	27	ChEMBL_2206261 (CHEMBL5118969)	Inhibition of recombinant human MMP-8 using peptide substrate by ELISA
50016168	28	ChEMBL_2206262 (CHEMBL5118970)	Inhibition of recombinant human MMP-9 using peptide substrate by ELISA
50016168	29	ChEMBL_2206263 (CHEMBL5118971)	Inhibition of recombinant human MMP-12 using peptide substrate by ELISA
50016168	30	ChEMBL_2206264 (CHEMBL5118972)	Inhibition of recombinant human MMP-13 using peptide substrate by ELISA
50016168	31	ChEMBL_2206297 (CHEMBL5119005)	Inhibition of MMP-1 (unknown origin) using 7-(methoxycoumarin-4yl)acetyl-Pro-Leu-Gly-Leu-(N-3-[2,4-dinitrophenyl]- L-2,3-diamino-propionyl)-Ala-Arg-NH2 as fluorogenic substrate for 45 mins by fluorogenic analysis
50016168	32	ChEMBL_2206298 (CHEMBL5119006)	Inhibition of MMP-9 (unknown origin) using 7-(methoxycoumarin-4yl)acetyl-Pro-Leu-Gly-Leu-(N-3-[2,4-dinitrophenyl]- L-2,3-diamino-propionyl)-Ala-Arg-NH2 as fluorogenic substrate for 45 mins by fluorogenic analysis
50016168	33	ChEMBL_2206299 (CHEMBL5119007)	Inhibition of MMP-9 (unknown origin) using Cys(Eu)-Pro-Leu-Gly-Leu-Lys(QSY7)-Ala-Arg-amide as substrate for 15 mins by microplate reader analysis
50016168	34	ChEMBL_2206301 (CHEMBL5119009)	Inhibition of recombinant human MMP-1 for 3 hrs using colorimetric substrate by ELISA
50016168	35	ChEMBL_2206302 (CHEMBL5119010)	Inhibition of recombinant human MMP-2 for 3 hrs using colorimetric substrate by ELISA
50016168	36	ChEMBL_2206303 (CHEMBL5119011)	Inhibition of recombinant human MMP-3 for 3 hrs using colorimetric substrate by ELISA
50016168	37	ChEMBL_2206304 (CHEMBL5119012)	Inhibition of recombinant human MMP-8 for 3 hrs using colorimetric substrate by ELISA
50016168	38	ChEMBL_2206305 (CHEMBL5119013)	Inhibition of recombinant human MMP-9 for 3 hrs using colorimetric substrate by ELISA
50016168	39	ChEMBL_2206306 (CHEMBL5119014)	Inhibition of MMP-1 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	40	ChEMBL_2206307 (CHEMBL5119015)	Inhibition of MMP-2 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	41	ChEMBL_2206308 (CHEMBL5119016)	Inhibition of MMP-7 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	42	ChEMBL_2206309 (CHEMBL5119017)	Inhibition of MMP-9 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	43	ChEMBL_2206310 (CHEMBL5119018)	Inhibition of MMP-12 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	44	ChEMBL_2206311 (CHEMBL5119019)	Inhibition of MMP-14 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	45	ChEMBL_2206312 (CHEMBL5119020)	Inhibition of MMP-15 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	46	ChEMBL_2206313 (CHEMBL5119021)	Inhibition of MMP-16 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	47	ChEMBL_2206314 (CHEMBL5119022)	Inhibition of MMP-26 (unknown origin) expressed in Escherichia coli BL21(DE3) and measured for 2 mins by enzymatic assay
50016168	48	ChEMBL_2206315 (CHEMBL5119023)	Inhibition of human MMP-2 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	49	ChEMBL_2206316 (CHEMBL5119024)	Inhibition of human MMP-3 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	50	ChEMBL_2206317 (CHEMBL5119025)	Inhibition of human MMP-7 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	51	ChEMBL_2206318 (CHEMBL5119026)	Inhibition of human MMP-8 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	52	ChEMBL_2206319 (CHEMBL5119027)	Inhibition of human MMP-9 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	53	ChEMBL_2206320 (CHEMBL5119028)	Inhibition of human MMP-10 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	54	ChEMBL_2206321 (CHEMBL5119029)	Inhibition of human MMP-12 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	55	ChEMBL_2206322 (CHEMBL5119030)	Inhibition of human MMP-13 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	56	ChEMBL_2206323 (CHEMBL5119031)	Inhibition of human MMP-14 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by susbstrate addition by photon-counter spectrophotometer analysis
50016168	57	ChEMBL_2206324 (CHEMBL5119032)	Inhibition of recombinant human MMP-12 by ELISA
50016168	58	ChEMBL_2206325 (CHEMBL5119033)	Inhibition of human MMP-1 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	59	ChEMBL_2206326 (CHEMBL5119034)	Inhibition of human MMP-2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	60	ChEMBL_2206327 (CHEMBL5119035)	Inhibition of human MMP-3 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	61	ChEMBL_2206328 (CHEMBL5119036)	Inhibition of human MMP-7 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	62	ChEMBL_2206329 (CHEMBL5119037)	Inhibition of human MMP-8 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	63	ChEMBL_2206330 (CHEMBL5119038)	Inhibition of human MMP-9 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	64	ChEMBL_2206331 (CHEMBL5119039)	Inhibition of human MMP-10 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	65	ChEMBL_2206332 (CHEMBL5119040)	Inhibition of human MMP-12 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	66	ChEMBL_2206333 (CHEMBL5119041)	Inhibition of human MMP-13 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	67	ChEMBL_2206334 (CHEMBL5119042)	Inhibition of human MMP-14 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr followed by susbstrate addition by fluorescent analysis
50016168	68	ChEMBL_2206335 (CHEMBL5119043)	Inhibition of MMP-10 (unknown origin)
50016169	1	ChEMBL_2206391 (CHEMBL5119099)	Binding affinity to human SV2A in presence of levetiracetam by radioligand binding assay
50016169	2	ChEMBL_2206392 (CHEMBL5119100)	Binding affinity to mouse SV2A in presence of levetiracetam by radioligand binding assay
50016169	3	ChEMBL_2206399 (CHEMBL5119107)	Activation of human EAAT2 transfected in COS7 cells assessed as glutamate uptake
50016169	4	ChEMBL_2206405 (CHEMBL5119113)	Activation of human EAAT2 transfected in Glial cells assessed as glutamate uptake
50016169	5	ChEMBL_2206412 (CHEMBL5119120)	Binding affinity to human serum albumin assessed as dissociation constant by LC/MS analysis
50016172	1	ChEMBL_2206450 (CHEMBL5119158)	Inhibition of CYP2D6 (unknown origin)
50016172	2	ChEMBL_2206495 (CHEMBL5119203)	Inhibition of CYP1A2 (unknown origin)
50016172	3	ChEMBL_2206496 (CHEMBL5119204)	Inhibition of CYP2B6 (unknown origin)
50016172	4	ChEMBL_2206497 (CHEMBL5119205)	Inhibition of CYP2C8 (unknown origin)
50016172	5	ChEMBL_2206498 (CHEMBL5119206)	Inhibition of CYP2C9 (unknown origin)
50016172	6	ChEMBL_2206499 (CHEMBL5119207)	Inhibition of CYP2C19 (unknown origin)
50016172	7	ChEMBL_2206500 (CHEMBL5119208)	Inhibition of CYP3A4 (unknown origin)
50016172	8	ChEMBL_2206504 (CHEMBL5119212)	Induction of CYP1A2 in human hepatocyte
50016172	9	ChEMBL_2206505 (CHEMBL5119213)	Induction of CYP2B6 in human hepatocyte
50016172	10	ChEMBL_2206506 (CHEMBL5119214)	Induction of CYP3A4 in human hepatocyte
50016172	11	ChEMBL_2206509 (CHEMBL5119217)	Inhibition of UGT1A1(unknown origin)
50016174	1	ChEMBL_2206523 (CHEMBL5119231)	Positive allosteric modulation of human D1R expressed in SK-N-MC cells assessed as inhibition of DA-induced cAMP production pretreated with compound for 15 mins followed by dopamine EC70 addition measured after 15 mins by HTRF assay
50016174	2	ChEMBL_2206525 (CHEMBL5119233)	Binding affinity to human serum albumin at 5 uM incubated for 12 mins by HPLC-MS analysis
50016174	3	ChEMBL_2206541 (CHEMBL5119249)	Competitive binding affinity to human D5R in transfected cells
50016174	4	ChEMBL_2206542 (CHEMBL5119250)	Competitive binding affinity to human D4R in transfected cells
50016174	5	ChEMBL_2206543 (CHEMBL5119251)	Competitive binding affinity to human D3R in transfected cells
50016174	6	ChEMBL_2206544 (CHEMBL5119252)	Competitive binding affinity to human D2R in transfected cells
50016176	1	ChEMBL_2206578 (CHEMBL5119286)	Inhibition of HDAC in human HeLa nuclear extract incubated for 30 mins by fluorescence-based Glo-luminescence assay
50016176	2	ChEMBL_2206586 (CHEMBL5119294)	Inhibition of full length recombinant C-terminal GST-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells incubated for 50 mins by Glo- luminescence assay
50016176	3	ChEMBL_2206587 (CHEMBL5119295)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells incubated for 50 mins by Glo- luminescence assay
50016176	4	ChEMBL_2206588 (CHEMBL5119296)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC4 (612 to end residues)expressed in baculovirus infected Sf9 insect cells incubated for 50 mins by Glo- luminescence assay
50016176	5	ChEMBL_2206589 (CHEMBL5119297)	Inhibition of full length recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells incubated for 50 mins by Glo- luminescence assay
50016176	6	ChEMBL_2206602 (CHEMBL5119310)	Inhibition of HDAC in human MDA-MB-231 cells incubated for 45 mins by luminescence assay
50016177	1	ChEMBL_2206636 (CHEMBL5119344)	Inhibition of JAK1 (unknown origin) using Kinase/Tyr 6 peptide as substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50016177	2	ChEMBL_2206637 (CHEMBL5119345)	Inhibition of JAK2 (unknown origin) using Kinase/Tyr 6 peptide as substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50016177	3	ChEMBL_2206638 (CHEMBL5119346)	Inhibition of JAK3 (unknown origin) using Kinase/Tyr 6 peptide as substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50016177	4	ChEMBL_2206697 (CHEMBL5119405)	Inhibition of JAK1 (unknown origin)
50016180	1	ChEMBL_2206709 (CHEMBL5119417)	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO cells by Topcount beta counter analysis
50016180	2	ChEMBL_2206710 (CHEMBL5119418)	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells by Topcount beta counter analysis
50016180	3	ChEMBL_2206711 (CHEMBL5119419)	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO cells by Topcount beta counter analysis
50016180	4	ChEMBL_2206712 (CHEMBL5119420)	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO cells by Topcount beta counter analysis
50016181	1	ChEMBL_2206744 (CHEMBL5119452)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 1 hr followed by nigericin stimulation and measured after 1 hr by ELISA
50016181	2	ChEMBL_2206745 (CHEMBL5119453)	Inhibition of 20S proteasome beta5 subunit (unknown origin) using Suc-LLVY-AMC as flurogenic substrate measured after 1 hr by fluorescence based analysis
50016181	3	ChEMBL_2206759 (CHEMBL5119467)	Inhibition of 20S proteasome beta2 subunit (unknown origin) using Boc-LRR-AMC as flurogenic substrate measured after 1 hr by fluorescence based analysis
50016181	4	ChEMBL_2206760 (CHEMBL5119468)	Inhibition of 20S proteasome beta1 subunit (unknown origin) using Z-LLE-AMC as flurogenic substrate measured after 1 hr by fluorescence based analysis
50016184	1	ChEMBL_2206794 (CHEMBL5119502)	Inhibition of TRKA (unknown origin)
50016184	2	ChEMBL_2206795 (CHEMBL5119503)	Inhibition of TRKB (unknown origin)
50016184	3	ChEMBL_2206796 (CHEMBL5119504)	Inhibition of TRKC (unknown origin)
50016184	4	ChEMBL_2206797 (CHEMBL5119505)	Inhibition of KDR (unknown origin)
50016184	5	ChEMBL_2206798 (CHEMBL5119506)	Inhibition of Src (unknown origin)
50016184	6	ChEMBL_2206799 (CHEMBL5119507)	Inhibition of ALK (unknown origin)
50016184	7	ChEMBL_2206800 (CHEMBL5119508)	Inhibition of EGFR (unknown origin)
50016184	8	ChEMBL_2206801 (CHEMBL5119509)	Inhibition of FGFR2 (unknown origin)
50016184	9	ChEMBL_2206802 (CHEMBL5119510)	Inhibition of HER2 (unknown origin)
50016184	10	ChEMBL_2206803 (CHEMBL5119511)	Inhibition of INSR (unknown origin)
50016184	11	ChEMBL_2206804 (CHEMBL5119512)	Inhibition of JAK2 (unknown origin)
50016184	12	ChEMBL_2206805 (CHEMBL5119513)	Inhibition of MET (unknown origin)
50016184	13	ChEMBL_2206806 (CHEMBL5119514)	Inhibition of AKT1 (unknown origin)
50016184	14	ChEMBL_2206807 (CHEMBL5119515)	Inhibition of CDK1 (unknown origin)
50016184	15	ChEMBL_2206808 (CHEMBL5119516)	Inhibition of CHK1 (unknown origin)
50016184	16	ChEMBL_2206809 (CHEMBL5119517)	Inhibition of PKA (unknown origin)
50016184	17	ChEMBL_2206810 (CHEMBL5119518)	Inhibition of PKCalpha (unknown origin)
50016184	18	ChEMBL_2206811 (CHEMBL5119519)	Inhibition of RAF1 (unknown origin)
50016184	19	ChEMBL_2206814 (CHEMBL5119522)	Inhibition of LCK (unknown origin)
50016186	1	ChEMBL_2206838 (CHEMBL5119546)	Inhibition of human recombinant PD-1/PD-L1 interaction preincubated with compound for 2 hrs followed by PD-1 protein addition and measured after 1.5 hrs by inhibitor screening ELISA assay pair kit method
50016186	2	ChEMBL_2206839 (CHEMBL5119547)	Inhibition of mouse recombinant PD-1/PD-L1 interaction preincubated with compound for 2 hrs followed by PD-1 protein addition and measured after 1.5 hrs by by inhibitor screening ELISA assay pair kit method
50016186	3	ChEMBL_2206840 (CHEMBL5119548)	Inhibition of human PD-1/PD-L1 interaction by surface plasmon resonance analysis
50016187	1	ChEMBL_2206878 (CHEMBL5119586)	Inhibition of CDK8 (unknown origin) incubated in presence of ATP by ADP-Glo kinase assay
50016187	2	ChEMBL_2206879 (CHEMBL5119587)	Inhibition of CDK8 in human HCT-116 cells transfected with TOPFlash luciferase reporter plasmid assessed as reduction in TCF/LEF transcriptional activity
50016187	3	ChEMBL_2206881 (CHEMBL5119589)	Inhibition of CDK8 in human HCT-116 cells assessed as reduction in STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot assay
50016189	1	ChEMBL_2207000 (CHEMBL5119708)	Inhibition of human recombinant CYP17A1 incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50016189	2	ChEMBL_2207001 (CHEMBL5119709)	Antagonist activity at DHT-induced Androgen receptor transcriptional activity in human HEK293 cells measured after 24 hrs by Steady-Glo reagent based assay
50016189	3	ChEMBL_2207007 (CHEMBL5119715)	Inhibition of hERG potassium channel at -80 mV holding potential incubated for 3 mins by automated patch clamp method
50016189	4	ChEMBL_2207015 (CHEMBL5119723)	Antagonist activity at androgen receptor T877A mutant (unknown origin) expressed in HEK293 cells incubated for 24 hrs by luciferase reporter assay
50016189	5	ChEMBL_2207016 (CHEMBL5119724)	Antagonist activity at androgen receptor F876L mutant (unknown origin) expressed in HEK293 cells incubated for 24 hrs by luciferase reporter assay
50016191	1	ChEMBL_2207026 (CHEMBL5119734)	Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	2	ChEMBL_2207027 (CHEMBL5119735)	Inhibition of recombinant HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	3	ChEMBL_2207028 (CHEMBL5119736)	Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	4	ChEMBL_2207029 (CHEMBL5119737)	Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys (trifluoroacetyl) AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	5	ChEMBL_2207030 (CHEMBL5119738)	Inhibition of recombinant HDAC5 (unknown origin) using Boc-Lys (trifluoroacetyl) AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	6	ChEMBL_2207031 (CHEMBL5119739)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	7	ChEMBL_2207032 (CHEMBL5119740)	Inhibition of recombinant HDAC7 (unknown origin) using Boc-Lys (trifluoroacetyl) AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	8	ChEMBL_2207033 (CHEMBL5119741)	Inhibition of recombinant HDAC8 (unknown origin) using Boc-Lys (trifluoroacetyl) AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	9	ChEMBL_2207034 (CHEMBL5119742)	Inhibition of recombinant HDAC9 (unknown origin) using Boc-Lys (trifluoroacetyl) AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	10	ChEMBL_2207036 (CHEMBL5119744)	Binding affinity to recombinant HDAC1 (unknown origin) assessed as inhibition constant using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	11	ChEMBL_2207043 (CHEMBL5119751)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 0 min followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	12	ChEMBL_2207044 (CHEMBL5119752)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	13	ChEMBL_2207045 (CHEMBL5119753)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	14	ChEMBL_2207046 (CHEMBL5119754)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 60 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	15	ChEMBL_2207047 (CHEMBL5119755)	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 120 mins followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	16	ChEMBL_2207087 (CHEMBL5119795)	Binding affinity to recombinant HDAC2 (unknown origin) assessed as inhibition constant using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	17	ChEMBL_2207088 (CHEMBL5119796)	Binding affinity to recombinant HDAC3 (unknown origin) assessed as inhibition constant using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	18	ChEMBL_2207089 (CHEMBL5119797)	Binding affinity to recombinant HDAC6 (unknown origin) assessed as inhibition constant using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based microplate reader analysis
50016191	19	ChEMBL_2207091 (CHEMBL5119799)	Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 6 mins followed by substrate addition measured after 60 secs
50016191	20	ChEMBL_2207092 (CHEMBL5119800)	Inhibition of HDAC2 (unknown origin) using FTS as substrate preincubated for 6 mins followed by substrate addition measured after 60 secs
50016191	21	ChEMBL_2207093 (CHEMBL5119801)	Inhibition of HDAC3 (unknown origin) using FTS as substrate preincubated for 6 mins followed by substrate addition measured after 60 secs
50016191	22	ChEMBL_2207094 (CHEMBL5119802)	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 6 mins followed by substrate addition measured after 60 secs
50016191	23	ChEMBL_2207095 (CHEMBL5119803)	Inhibition of HDAC1 (unknown origin)
50016191	24	ChEMBL_2207096 (CHEMBL5119804)	Inhibition of HDAC2 (unknown origin)
50016191	25	ChEMBL_2207097 (CHEMBL5119805)	Inhibition of HDAC3 (unknown origin)
50016191	26	ChEMBL_2207098 (CHEMBL5119806)	Inhibition of HDAC6 (unknown origin)
50016192	1	ChEMBL_2207099 (CHEMBL5119807)	Inhibition of full length His-NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by Mtase-glo luminescence assay
50016192	2	ChEMBL_2207100 (CHEMBL5119808)	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coupled fluorescence assay
50016192	3	ChEMBL_2207101 (CHEMBL5119809)	Binding affinity to NTMT1 (unknown origin) assessed as dissociation constant in presence of SAM by isothermal titration calorimetry analysis
50016192	4	ChEMBL_2207102 (CHEMBL5119810)	Binding affinity to NTMT1 (unknown origin)assessed as dissociation constant in absence of SAM by isothermal titration calorimetry analysis
50016192	5	ChEMBL_2207109 (CHEMBL5119817)	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using GPKRIA as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by microplate reader method
50016192	6	ChEMBL_2207228 (CHEMBL5119936)	Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-RCC1 level incubated for 72 hrs by western blot analysis
50016192	7	ChEMBL_2207229 (CHEMBL5119937)	Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-SET level incubated for 72 hrs by western blot analysis
50016193	1	ChEMBL_2207268 (CHEMBL5119976)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by immunoassay
50016193	2	ChEMBL_2207269 (CHEMBL5119977)	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by immunoassay
50016193	3	ChEMBL_2207270 (CHEMBL5119978)	Inhibition of CYP51 in Candida albicans SC5314 using Eburicol as substrate preincubated for 20 mins followed by substrate addition and measured after 4 mins by HPLC analysis
50016195	1	ChEMBL_2207446 (CHEMBL5120154)	Inhibition of human recombinant AChe using acetylthiocholine iodide as substrate incubated for 10 mins by DTNB reagent based Ellman's method
50016195	2	ChEMBL_2207447 (CHEMBL5120155)	Inhibition of human recombinant BuChe using butyrylthiocholine iodide as substrate incubated for 10 mins by DTNB reagent based Ellman's method
50016195	3	ChEMBL_2207448 (CHEMBL5120156)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured after 120 mins by scintillation counting method
50016195	4	ChEMBL_2207449 (CHEMBL5120157)	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes measured after 120 mins by scintillation counting method
50016195	5	ChEMBL_2207452 (CHEMBL5120160)	Displacement of [3H]ifenprodil from recombinant human GluN2B NMDA receptor (unknown origin) expressed in dexamethasone-induced mouse L-M(TK-) cell after 120 mins by microbeta scintillation counting method
50016195	6	ChEMBL_2207453 (CHEMBL5120161)	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as reduction in YO-PRO-1 iodide dye uptake preincubated for 30 mins followed by YO-PRO-1 iodide addition and measured after 120 mins by fluorescence plate reader analysis
50016195	7	ChEMBL_2207469 (CHEMBL5120177)	Inhibition of CYP3A4 (unknown origin) preincubated for 10 mins followed by NADP addition measured after 50 mins
50016195	8	ChEMBL_2207470 (CHEMBL5120178)	Inhibition of CYP2C9 (unknown origin) preincubated for 10 mins followed by NADP addition measured after 50 mins
50016195	9	ChEMBL_2207471 (CHEMBL5120179)	Inhibition of CYP2D6 (unknown origin) preincubated for 10 mins followed by NADP addition measured after 50 mins
50016196	1	ChEMBL_2207537 (CHEMBL5120245)	Inhibtion of hERG transfected in HEK293 cells by by whole cell patch clamp method
50016197	1	ChEMBL_2207553 (CHEMBL5120261)	Thermal stabilization of LPS-stimulated P38alpha in human THP-1 cells at 5 uM pretreated for 1 hr followed by LPS-stimulation and measured after 15 min by western blot based cellular thermal shift assay
50016199	1	ChEMBL_2207601 (CHEMBL5120309)	Inhibition of recombinant his-tagged human HDAC11 using Ac-LeuGlyLys (Ac) AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	2	ChEMBL_2207620 (CHEMBL5120328)	Inhibition of recombinant human HDAC using fluorogenic substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	3	ChEMBL_2207621 (CHEMBL5120329)	Inhibition of wild type SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by microplate reader method
50016199	4	ChEMBL_2207623 (CHEMBL5120331)	Inhibition of recombinant his-tagged human HDAC1 using Ac-LeuGlyLys (Ac) AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	5	ChEMBL_2207624 (CHEMBL5120332)	Inhibition of full length recombinant his-tagged human HDAC2 using Ac-LeuGlyLys (Ac) AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	6	ChEMBL_2207625 (CHEMBL5120333)	Inhibition of recombinant his-tagged human HDAC3 using Ac-LeuGlyLys (Ac) AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	7	ChEMBL_2207626 (CHEMBL5120334)	Inhibition of recombinant his-tagged human HDAC8 using Boc-Lys (TFA)-AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	8	ChEMBL_2207627 (CHEMBL5120335)	Inhibition of recombinant N-terminal GST-tagged human HDAC5 expressed in HEK293 cells using Ac-LeuGlyLys (TFA)-AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	9	ChEMBL_2207628 (CHEMBL5120336)	Inhibition of recombinant human HDAC7 using Ac-LeuGlyLys (TFA)-AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	10	ChEMBL_2207629 (CHEMBL5120337)	Inhibition of recombinant his-tagged human HDAC6 using Ac-LeuGlyLys (Ac) AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016199	11	ChEMBL_2207630 (CHEMBL5120338)	Inhibition of recombinant his-tagged human HDAC10 using Ac-ArgHisLys (Ac) Lys (Ac)-AMC substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50016200	1	ChEMBL_2207676 (CHEMBL5120384)	Inhibition of human DOR expressed in CHO cells assessed as reduction in Leu-enkephalin induced ERK1/2 phosphorylation level by measuring Leu-enkephalin pEC50 measured after 1 hr by fluorescence based AlphaScreen assay
50016200	2	ChEMBL_2207678 (CHEMBL5120386)	Inhibition of human DOR expressed in CHO cells assessed as reduction in Leu-enkephalin induced cAMP level by measuring Leu-enkephalin pEC50 measured after 5 mins by BRET assay
50016200	3	ChEMBL_2207681 (CHEMBL5120389)	Agonist activity at human DOR expressed in CHO cells assessed as reduction in ERK1/2 phosphorylation level
50016203	1	ChEMBL_2207706 (CHEMBL5120414)	Agonist activity at human 5HT2A receptor transfected in HEK293T cells assessed as beta arrestin-2 recruitment measured for 2 hrs by luminescent assay
50016203	2	ChEMBL_2207708 (CHEMBL5120416)	Agonist activity at human 5HT2A receptor transfected in HEK293T cells assessed as mini Galphaq recruitment measured for 2 hrs by luminescent assay
50016203	3	ChEMBL_2207710 (CHEMBL5120418)	Agonist activity at human 5HT2A S159A mutant transfected in HEK293T cells assessed as beta arrestin-2 recruitment measured for 2 hrs by luminescent assay
50016203	4	ChEMBL_2207712 (CHEMBL5120420)	Agonist activity at human 5HT2A S159A mutant transfected in HEK293T cells assessed as mini Galphaq recruitment measured for 2 hrs by luminescent assay
50016206	1	ChEMBL_2207720 (CHEMBL5120428)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells measured after 4 hrs by HTRF assay
50016206	2	ChEMBL_2207721 (CHEMBL5120429)	Inhibition of EGFR L858R/C797S mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells measured after 4 hrs by HTRF assay
50016206	3	ChEMBL_2207729 (CHEMBL5120437)	Inhibition of dopamine D2 receptor (unknown origin)
50016206	4	ChEMBL_2207731 (CHEMBL5120439)	Inhibition of angiotensin-converting enzyme (unknown origin)
50016206	5	ChEMBL_2207733 (CHEMBL5120441)	Inhibition of adenosine A3 receptor (unknown origin)
50016206	6	ChEMBL_2207735 (CHEMBL5120443)	Inhibition of muscarinic M2 receptor (unknown origin)
50016206	7	ChEMBL_2207737 (CHEMBL5120445)	Inhibition of glucocorticoid receptor (unknown origin)
50016206	8	ChEMBL_2207741 (CHEMBL5120449)	Inhibition of wild type EGFR expressed in human NCI-H2073 cells
50016206	9	ChEMBL_2207742 (CHEMBL5120450)	Inhibition of wild type EGFR expressed in human A-431 cells
50016206	10	ChEMBL_2207743 (CHEMBL5120451)	Inhibition of EGFR L858R mutant expressed in human NCI-H3255 cells
50016206	11	ChEMBL_2207744 (CHEMBL5120452)	Inhibition of EGFR L858R/T790M mutant expressed in human NCI-H1975 cells
50016209	1	ChEMBL_2207776 (CHEMBL5120484)	Inhibition of full length recombinant C-terminal FLAG-tagged human HDAC2 expressed in baculovirus-infected Sf9 cells measured for 2 hrs by fluorescence-based assay
50016211	1	ChEMBL_2207795 (CHEMBL5120503)	Inhibition of mouse MAO-A
50016211	2	ChEMBL_2207796 (CHEMBL5120504)	Inhibition of mouse MAO-B
50016211	3	ChEMBL_2207797 (CHEMBL5120505)	Inhibition of recombinant human MAO-A
50016211	4	ChEMBL_2207798 (CHEMBL5120506)	Inhibition of recombinant human MAO-B
50016211	5	ChEMBL_2207800 (CHEMBL5120508)	Inhibition of human MAO-B measure after 1 hr by microplate reader analysis
50016211	6	ChEMBL_2207801 (CHEMBL5120509)	Inhibition of human MAO-A measure after 1 hr by microplate reader analysis
50016212	1	ChEMBL_2207810 (CHEMBL5120518)	Inhibition of HIV-1 protease using EDANS-RESGIFLETSKR-DABCYL as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50016213	1	ChEMBL_2207823 (CHEMBL5120531)	Displacement of C-terminal Cys-tagged SmBiT tracer from C-terminal Cys-tagged human Ghrelin expressed in HEK293T cells by microplate reader based NanoBiT-binding assay
50016213	2	ChEMBL_2207824 (CHEMBL5120532)	Displacement of C-terminal Cys-tagged human LEAP2-SmBiT tracer from C-terminal Cys-tagged human Ghrelin expressed in HEK293T cells by microplate reader based NanoBiT-binding assay
50016213	3	ChEMBL_2207825 (CHEMBL5120533)	Displacement of C-terminal Cys-tagged NanoLuc luciferase from C-terminal Cys-tagged human Ghrelin expressed in HEK293T cells by microplate reader based NanoBiT-binding assay
50016213	4	ChEMBL_2207826 (CHEMBL5120534)	Binding affinity to Ghrelin in human serum expressed in HEK293T cells using NanoLuc as substrate measured after 1 hr by bioluminescence based microplate reader assay
50016213	5	ChEMBL_2207828 (CHEMBL5120536)	Binding affinity to Ghrelin in fetal bovine serum expressed in HEK293T cells using NanoLuc as substrate measured after 1 hr by bioluminescence based microplate reader assay
50016215	1	ChEMBL_2207893 (CHEMBL5120601)	Inhibition of NanoLuc-fused CDK2 (unknown origin) expressed in 293-NB2 cells incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50016222	1	ChEMBL_2207895 (CHEMBL5120603)	Inhibition of human coagulation factor XIa using GPR-AFC as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50016223	1	ChEMBL_2207896 (CHEMBL5120604)	Inhibition of Cbl-b (unknown origin) assessed as reduction in LCK ubiquitination preincubated for 60 mins followed by kinase mix addition measured after 90 mins by TR-FRET assay
50016224	1	ChEMBL_2207916 (CHEMBL5120624)	Inhibition of JAK1/JAK3 in human primary T-cells assessed as reduction of IL-2 stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL-2 stimulation for 15 mins by FACS method
50016224	3	ChEMBL_2207921 (CHEMBL5120629)	Inhibition of JAK2 signaling pathway in human CHEP cells assessed as inhibition of EPO-induced cell survival preincubated for 1 hr followed by EPO addition and measured after 48 hrs by CellTiter-Glo luminescent assay
50016224	4	ChEMBL_2207924 (CHEMBL5120632)	Inhibition of CYP3A4 (unknown origin) in absence of NADPH
50016224	5	ChEMBL_2207925 (CHEMBL5120633)	Inhibition of CYP3A4 (unknown origin) in presence of NADPH
50016224	6	ChEMBL_2207926 (CHEMBL5120634)	Inhibition of CYP1A2 (unknown origin)
50016224	7	ChEMBL_2207929 (CHEMBL5120637)	Inhibition of human recombinant GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system by Z'-lyte assay
50016224	8	ChEMBL_2207930 (CHEMBL5120638)	Inhibition of human recombinant GST-tagged JAK2 catalytic domain (809 to 1153 residues) expressed in baculovirus expression system by Z'-lyte assay
50016224	9	ChEMBL_2207931 (CHEMBL5120639)	Inhibition of human recombinant GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system by Z'-lyte assay
50016224	10	ChEMBL_2207932 (CHEMBL5120640)	Inhibition of human recombinant N-terminal GST-tagged TYK2 (833 to 1187 residues) expressed in baculovirus expression system by Z'-lyte assay
50016224	11	ChEMBL_2207933 (CHEMBL5120641)	Inhibition of JAK1/JAK3 signaling pathway in human primary T-cells assessed as reduction of IL-2 induced cell proliferation
50016224	12	ChEMBL_2207934 (CHEMBL5120642)	Inhibition of JAK1/TYK2 signaling pathway in human primary T-cells assessed as reduction of IFN-alpha induced STAT1 phosphorylation
50016224	13	ChEMBL_2207935 (CHEMBL5120643)	Inhibition of JAK2 signaling pathway in human UKE-1 cells assessed as reduction of cell proliferation
50016224	14	ChEMBL_2207936 (CHEMBL5120644)	Inhibition of JAK2/TYK2 signaling pathway in human primary T-cells assessed as reduction of IL-12 induced STAT4 phosphorylation
50016224	15	ChEMBL_2207937 (CHEMBL5120645)	Inhibition of JAK1/JAK2 signaling pathway in human U-937 cells assessed as reduction of IFN-gamma induced ICAM1 expression
50016224	16	ChEMBL_2207947 (CHEMBL5120655)	Inhibition of JAK1/JAK3 signaling pathway in human whole blood assessed as reduction of IL-2 induced STAT5 phosphorylation
50016225	1	ChEMBL_2207955 (CHEMBL5120663)	Inhibition of human NADK by HPLC analysis
50016225	2	ChEMBL_2207960 (CHEMBL5120668)	Inhibition of NADK (unknown origin) by HPLC analysis
50016225	3	ChEMBL_2207961 (CHEMBL5120669)	Binding affinity to N-terminal full length NADK (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by surface plasmon resonance assay
50016225	4	ChEMBL_2207962 (CHEMBL5120670)	Non-competitive inhibition of N-terminal full length NADK (unknown origin) expressed in Escherichia coli BL21(DE3) cells by HDX-MS analysis
50016225	5	ChEMBL_2207963 (CHEMBL5120671)	Inhibition of NADK delta 95 kinase domain (unknown origin) at 80 uM measured after 30 mins by HDX-MS analysis
50016226	1	ChEMBL_2207985 (CHEMBL5120693)	Inhibition of HIF-1alpha (unknown origin) transcriptional activity expressed in HEK293T cells co-transfected with renilla and HRE-firelfly luciferase incubated for 24 hrs by dual luciferase reporter gene assay
50016228	1	ChEMBL_2207996 (CHEMBL5120704)	Inhibition of recombinant human N-terminal GST-tagged EGFR wild type (669 to 1210 residues) expressed in baculovirus infected Sf21 insect cells insect cells using AQT0734 as substrate measured up to 240 mins by fluorescence assay
50016228	2	ChEMBL_2207999 (CHEMBL5120707)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) (unknown origin) L858R/T790M mutant expressed in baculovirus infected Sf21 insect cells using AQT0734 as substrate measured up to 240 mins by fluorescence assay
50016228	3	ChEMBL_2208002 (CHEMBL5120710)	Inhibition of recombinant human N-terminal GST-tagged HER2 wild type (679 to 1255 residues) expressed in baculovirus infected Sf9 insect cells using AQT0794 measured up to 240 mins by fluorescence assay
50016229	1	ChEMBL_2208039 (CHEMBL5120988)	Inhibition of pig brain tubulin polymerization by spectrophotometric method
50016230	1	ChEMBL_2208063 (CHEMBL5121012)	Inhibition of recombinant human N-terminal His6-SUMO-tagged C-terminal SII-tagged HDAC4 expressed in Escherichia coli (BL21) DE3 pLysS cells using BocLys(trifluoroacetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	2	ChEMBL_2208064 (CHEMBL5121013)	Inhibition of recombinant human N-terminal His6-SUMO-tagged C-terminal SII-tagged HDAC8 expressed in Escherichia coli (BL21) DE3 pLysS cells using BocLys(trifluoroacetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	3	ChEMBL_2208065 (CHEMBL5121014)	Inhibition of recombinant human C-terminal His6-FLAG-tagged HDAC1 (1 to end residues) expressed in sf9 insect cells using Boc-Lys(acetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	4	ChEMBL_2208066 (CHEMBL5121015)	Inhibition of recombinant human HDAC2 Boc-Lys(acetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	5	ChEMBL_2208067 (CHEMBL5121016)	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues)/N-terminal GST-tagged recombinant human NCoR2 (395 to 489 residues) co-expressed in baculovirus infected Sf9 cells using Boc-Lys(acetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	6	ChEMBL_2208068 (CHEMBL5121017)	Inhibition of recombinant human HDAC6 using Boc-Lys(acetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	7	ChEMBL_2208069 (CHEMBL5121018)	Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 insect cells using BocLys(trifluoroacetyl)-AMC as substrate incubated for 30 mins by fluorescence assay
50016230	8	ChEMBL_2208073 (CHEMBL5121022)	Inhibition of human VEGFR2 in HUVEC cells assessed as reduction in VEGFR2 phosphorylation incubated for 30 mins by anti-phospho VEGF Tyr 1175 antibody based assay
50016231	1	ChEMBL_2208081 (CHEMBL5121030)	Activation of GIRK1/2 channel (unknown origin) expressed in HEK293 cells incubated for 6 mins by thallium flux assay
50016231	2	ChEMBL_2208083 (CHEMBL5121032)	Activation of GIRK1/4 channel (unknown origin) expressed in HEK293 cells incubated for 6 mins by thallium flux assay
50016231	3	ChEMBL_2208100 (CHEMBL5121049)	Activation of Kv2.2 channel (unknown origin) by thallium flux assay
50016231	4	ChEMBL_2208116 (CHEMBL5121065)	Activation of Kv2.1 channel (unknown origin) by thallium flux assay
50016231	5	ChEMBL_2208117 (CHEMBL5121066)	Activation of Kir6.2 channel (unknown origin) by thallium flux assay
50016231	6	ChEMBL_2208118 (CHEMBL5121067)	Activation of Kir3.2 channel (unknown origin) by thallium flux assay
50016231	7	ChEMBL_2208119 (CHEMBL5121068)	Activation of Kv7.2 channel (unknown origin) by thallium flux assay
50016231	8	ChEMBL_2208120 (CHEMBL5121069)	Activation of Kv11.2 channel (unknown origin) by thallium flux assay
50016231	9	ChEMBL_2208121 (CHEMBL5121070)	Activation of Maxi-K channel (unknown origin) by thallium flux assay
50016231	10	ChEMBL_2208122 (CHEMBL5121071)	Activation of SLACK channel (unknown origin) by thallium flux assay
50016231	11	ChEMBL_2208123 (CHEMBL5121072)	Activation of SLICK channel (unknown origin) by thallium flux assay
50016232	1	ChEMBL_2208145 (CHEMBL5121094)	Binding affinity to S1PR2 (unknown origin) by SPR assay
50016234	1	ChEMBL_2208225 (CHEMBL5121174)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader analysis
50016234	2	ChEMBL_2208226 (CHEMBL5121175)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cells incubated for 1 hr by microbeta plate reader analysis
50016234	3	ChEMBL_2208227 (CHEMBL5121176)	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader analysis
50016234	4	ChEMBL_2208228 (CHEMBL5121177)	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader analysis
50016234	5	ChEMBL_2208229 (CHEMBL5121178)	Binding affinity to human D2 receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader analysis
50016234	6	ChEMBL_2208236 (CHEMBL5121185)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by liquid scintillation counting method
50016234	7	ChEMBL_2208237 (CHEMBL5121186)	Displacement of [3H]-ketanserin from human 5-HT2A receptor incubated for 1 hr by liquid scintillation counting method
50016234	8	ChEMBL_2208238 (CHEMBL5121187)	Displacement of [3H]-LSD from human 5-HT2B receptor incubated for 1 hr by liquid scintillation counting method
50016234	9	ChEMBL_2208239 (CHEMBL5121188)	Displacement of [3H]-N-methylspiperone from human D2 receptor incubated for 1 hr by liquid scintillation counting method
50016234	10	ChEMBL_2208240 (CHEMBL5121189)	Displacement of [3H]-N-methylspiperone from human D3 receptor incubated for 1 hr by liquid scintillation counting method
50016234	11	ChEMBL_2208241 (CHEMBL5121190)	Displacement of [3H]-pyrilamine from human histamine H1 receptor incubated for 1 hr by liquid scintillation counting method
50016234	12	ChEMBL_2208242 (CHEMBL5121191)	Displacement of [3H]-clonidine from human alpha 2C receptor incubated for 1 hr by liquid scintillation counting method
50016234	13	ChEMBL_2208243 (CHEMBL5121192)	Displacement of [3H]-8-OH-DPAT from rat hippocampus 5-HT1A receptor by liquid scintillation counting analysis
50016234	14	ChEMBL_2208244 (CHEMBL5121193)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells incubated for 1 hr by microbeta plate reader analysis
50016234	15	ChEMBL_2208245 (CHEMBL5121194)	Binding affinity to 5-HT1A receptor (unknown origin)
50016234	16	ChEMBL_2208246 (CHEMBL5121195)	Binding affinity to 5-HT7 receptor (unknown origin)
50016235	1	ChEMBL_2208247 (CHEMBL5121196)	Antagonist activity at ERalpha (unknown origin)
50016235	2	ChEMBL_2208248 (CHEMBL5121197)	Antagonist activity at ERbeta (unknown origin)
50016235	3	ChEMBL_2208255 (CHEMBL5121204)	Antagonist activity at ERalpha in human MCF7 cells assessed as downregulation of ERalpha
50016235	4	ChEMBL_2208256 (CHEMBL5121205)	Antagonist activity at progesterone receptor in human MCF7 cells
50016238	1	ChEMBL_2208304 (CHEMBL5121253)	Inhibition of LRRK2 (unknown origin)
50016240	1	ChEMBL_2208318 (CHEMBL5121267)	Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Lanthascreen TR-FRET assay relative to control
50016240	2	ChEMBL_2208319 (CHEMBL5121268)	Agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled TRAP220/DRIP-2 coactivator peptide requirement by Lanthascreen TR-FRET assay
50016240	3	ChEMBL_2208320 (CHEMBL5121269)	Agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled PRIP/RAP250 coactivator peptide requirement by Lanthascreen TR-FRET assay
50016241	1	ChEMBL_2208331 (CHEMBL5121280)	Inhibition of human acetylcholinesterase
50016241	2	ChEMBL_2208332 (CHEMBL5121281)	Inhibition of human BChE
50016241	3	ChEMBL_2208355 (CHEMBL5121304)	Inhibition of xanthine oxidase (unknown origin) at 10 uM using xanthine as substrate
50016241	4	ChEMBL_2208358 (CHEMBL5121307)	Inhibition of xanthine oxidase (unknown origin)
50016241	5	ChEMBL_2208374 (CHEMBL5121323)	Inhibition of CDK4 (unknown origin)
50016242	1	ChEMBL_2208381 (CHEMBL5121330)	Inhibition of Plasmodium falciparum 3D7 plasmepsin II
50016242	2	ChEMBL_2208386 (CHEMBL5121335)	Binding affinity towards N-terminal biotinylated human HSP90-alpha (9 to 236 residues) measured by surface plasmon resonance (SPR) assay
50016242	3	ChEMBL_2208390 (CHEMBL5121339)	Antagonist activity at EP1 receptor (unknown origin)
50016242	4	ChEMBL_2208398 (CHEMBL5121347)	Agonist activity at human PPARgamma
50016242	5	ChEMBL_2208399 (CHEMBL5121348)	Antagonist activity at human CRF1 receptor
50016242	6	ChEMBL_2208400 (CHEMBL5121349)	Inhibition of p110alpha (unknown origin)
50016242	7	ChEMBL_2208401 (CHEMBL5121350)	Inhibition of SYK (unknown origin)
50016242	8	ChEMBL_2208402 (CHEMBL5121351)	Inhibition of PDK1 (unknown origin)
50016242	9	ChEMBL_2208404 (CHEMBL5121353)	Inhibition of recombinant human MIF tautomerase activity using 4-hydroxyphenyl pyruvic acid (HPP) as substrate pre-incubated for 30 mins and followed by susbtrate addition and
50016242	10	ChEMBL_2208408 (CHEMBL5121357)	Antagonist activity at TRPV1 (unknown origin)
50016242	11	ChEMBL_2208410 (CHEMBL5121359)	Agonist activity at AhR (unknown origin)
50016242	12	ChEMBL_2208411 (CHEMBL5121360)	Inhibition of PDE4D (unknown origin)
50016242	13	ChEMBL_2208415 (CHEMBL5121364)	Inhibition of P-selectin (unknown origin)
50016242	14	ChEMBL_2208416 (CHEMBL5121365)	Partial agonist activity at PPARdelta (unknown origin)
50016242	15	ChEMBL_2208417 (CHEMBL5121366)	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50016242	16	ChEMBL_2208418 (CHEMBL5121367)	Inhibition of Src (unknown origin)
50016242	17	ChEMBL_2208419 (CHEMBL5121368)	Inhibition of Abl kinase (unknown origin)
50016242	18	ChEMBL_2208420 (CHEMBL5121369)	Modulation of gamma-secretase (unknown origin) assessed as decrease in total Abeta42 levels
50016242	19	ChEMBL_2208421 (CHEMBL5121370)	Modulation of gamma-secretase (unknown origin) assessed as decrease in free Abeta42 levels
50016242	20	ChEMBL_2208423 (CHEMBL5121372)	Inverse agonist activity at human RORC (unknown origin)
50016242	21	ChEMBL_2208424 (CHEMBL5121373)	Inhibition of Cav3.3 subunit 1alpha-l(unknown origin) stably transfected in HEK293 cells measured by FLIPR assay
50016242	22	ChEMBL_2208427 (CHEMBL5121376)	Inhibition of recombinant human sEH using CMNPC as substrate incubated for 10 mins and measured by fluorescence assay
50016242	23	ChEMBL_2208428 (CHEMBL5121377)	Inhibition of gamma-secretase (unknown origin) assessed as decrease in Abeta42 levels
50016242	24	ChEMBL_2208430 (CHEMBL5121379)	Inhibition of ATR (unknown origin)
50016242	25	ChEMBL_2208431 (CHEMBL5121380)	Agonist activity at mouse LXRbeta
50016242	26	ChEMBL_2208432 (CHEMBL5121381)	Inhibition of HSP90 (unknown origin)
50016242	27	ChEMBL_2208433 (CHEMBL5121382)	Antagonist activity at sigma1 receptor (unknown origin)
50016242	28	ChEMBL_2208435 (CHEMBL5121384)	Inhibition of PDE5 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assay
50016242	29	ChEMBL_2208436 (CHEMBL5121385)	Inhibition of PDE6 (unknown origin) using FAM-cGMP or FAM-cAMP as substrate incubated for 60 mins and measured by fluorescence polarization assay
50016242	30	ChEMBL_2208439 (CHEMBL5121388)	Positive allosteric modulation of mGlu2 receptor (unknown origin)
50016242	31	ChEMBL_2208440 (CHEMBL5121389)	Inhibition of human GSK3A
50016242	32	ChEMBL_2208441 (CHEMBL5121390)	Inhibition of human GSK3B
50016242	33	ChEMBL_2208442 (CHEMBL5121391)	Inhibition of EZH2 Y641N mutant (unknown origin)
50016242	34	ChEMBL_2208444 (CHEMBL5121393)	Agonist activity at human RAR-beta2 receptor
50016242	35	ChEMBL_2208446 (CHEMBL5121395)	Antagonist activity at P2Y12 receptor in human platelet rich plasma
50016242	36	ChEMBL_2208447 (CHEMBL5121396)	Agonist activity at GPR119 (unknown origin)
50016242	37	ChEMBL_2208449 (CHEMBL5121398)	Inhibition of CDK2/Cyclin A (unknown origin)
50016242	38	ChEMBL_2208450 (CHEMBL5121399)	Binding affinity towards human CB2 receptor
50016242	39	ChEMBL_2208451 (CHEMBL5121400)	Inhibition of IDH1 R132H mutant (unknown origin)
50016242	40	ChEMBL_2208452 (CHEMBL5121401)	Agonist activity at human GPR119
50016243	1	ChEMBL_2208470 (CHEMBL5121419)	Inhibition of SHP2 (unknown origin)
50016243	2	ChEMBL_2208471 (CHEMBL5121420)	Activation of human SHP2 (205 to 597 residues) expressed in Escherichia coli BL21 using 8-difluoro-4-methylumbelliferyl phosphate as substrate incubated for 30 mins by fluorescence assay
50016243	3	ChEMBL_2208472 (CHEMBL5121421)	Inhibition of wildtype SHP2 (unknown origin)
50016243	4	ChEMBL_2208474 (CHEMBL5121423)	Inhibition of SHP2 F285S mutant (unknown origin) using DiFMUP as substrate incubated for 1 hr followed by substrate addition measured after 30 mins by plate reader method
50016244	1	ChEMBL_2208606 (CHEMBL5121555)	Binding affinity to STAT3 (unknown origin) assessed as dissociation rate constant (Kd) by surface plasmon resonance assay
50016244	2	ChEMBL_2208607 (CHEMBL5121556)	Binding affinity to STAT3 (unknown origin) assessed as dissociation constant (KD) by surface plasmon resonance assay
50016245	1	ChEMBL_2208758 (CHEMBL5121707)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50016245	2	ChEMBL_2208771 (CHEMBL5121720)	Inhibition of HIV-1 integrase strand transfer activity incubated for 10 mins by enzymatic assay
50016245	3	ChEMBL_2208781 (CHEMBL5121730)	Inhibition of HIV-1 integrase mutant strand transfer activity incubated for 10 mins by enzymatic assay
50016246	1	ChEMBL_2208807 (CHEMBL5121756)	Inhibition of chymotrypsin-like activity of human erythrocytes 20S proteasome using Suc-LLVY-AMC as substrate and measured by fluorescence assay
50016248	1	ChEMBL_2208843 (CHEMBL5121792)	Inhibition of hERG channel expressed in CHO cells at -80 mV holding potential by Qpatch clamp method
50016248	2	ChEMBL_2208907 (CHEMBL5121856)	Inhibition of wild type N-terminal GST tagged FGFR3 (436 to 806 residues) (unknown origin) expressed in sf21 insect cells preincubated for 30 mins followed by substrate addition and measured after 30 mins in presence of ATP by off-chip mobility shift assay
50016248	3	ChEMBL_2208908 (CHEMBL5121857)	Inhibition of FGFR1 (unknown origin) in presence of ATP at Km concentration by mobility shift assay
50016248	4	ChEMBL_2208909 (CHEMBL5121858)	Inhibition of FGFR2 (unknown origin) in presence of ATP at Km concentration by mobility shift assay
50016248	5	ChEMBL_2208910 (CHEMBL5121859)	Inhibition of FGFR3 (unknown origin) in presence of ATP at Km concentration by mobility shift assay
50016249	1	ChEMBL_2208943 (CHEMBL5121892)	Inhibition of G6PD (unknown origin)
50016249	2	ChEMBL_2208950 (CHEMBL5121899)	Binding affinity to human G6PD
50016249	3	ChEMBL_2208955 (CHEMBL5121904)	Inhibition of human C-terminal His tagged G6PD overexpressed in Escherichia coli BL21
50016249	4	ChEMBL_2208956 (CHEMBL5121905)	Inhibition of human G6PD
50016250	1	ChEMBL_2208974 (CHEMBL5121923)	Inhibition of human Kv1.3 expressed in HEK293 cells assessed as inhibition of tetracyclin induced current at holding potential of -80 mV by patch clamp method
50016251	1	ChEMBL_2209043 (CHEMBL5121992)	Inhibition of ALK2 R206H mutant (unknown origin) assessed as enzymatic activity by microfluidic mobility shift assay
50016251	2	ChEMBL_2209044 (CHEMBL5121993)	Inhibition of ALK2 R206H mutant (unknown origin) transfected in BMP6-stimulated human HEK293 cells by luciferase reporter gene assay
50016251	3	ChEMBL_2209048 (CHEMBL5121997)	Inhibition of wild type ALK2 (unknown origin) assessed as enzymatic activity by microfluidic mobility shift assay
50016251	4	ChEMBL_2209049 (CHEMBL5121998)	Inhibition of wild type ALK1 (unknown origin) assessed as enzymatic activity by microfluidic mobility shift assay
50016251	5	ChEMBL_2209050 (CHEMBL5121999)	Inhibition of wild type ALK3 (unknown origin) assessed as enzymatic activity using chemiluminescent substrate by ADP-Glo assay
50016251	6	ChEMBL_2209051 (CHEMBL5122000)	Inhibition of wild type ALK5 (unknown origin) assessed as enzymatic activity by microfluidic mobility shift assay
50016251	7	ChEMBL_2209052 (CHEMBL5122001)	Inhibition of wild type ALK6 (unknown origin) assessed as enzymatic activity using chemiluminescent substrate by ADP-Glo assay
50016255	1	ChEMBL_2209070 (CHEMBL5122019)	Binding affinity to human recombinant ERalpha by competitive fluorometric binding assay
50016255	2	ChEMBL_2209071 (CHEMBL5122020)	Binding affinity to human recombinant ERbeta by competitive fluorometric binding assay
50016256	1	ChEMBL_2209091 (CHEMBL5122040)	Inhibition of GLS-1 (unknown origin)
50016256	2	ChEMBL_2209097 (CHEMBL5122046)	Inhibition of human recombinant GLS-1 by measuring glutamate production incubated for 1 hr by fluorescence based multimode plate reader method
50016256	3	ChEMBL_2209098 (CHEMBL5122047)	Inhibition of human recombinant GLS-2 by measuring glutamate production incubated for 1 hr by fluorescence based multimode plate reader method
50016257	1	ChEMBL_2209163 (CHEMBL5122112)	Activation of recombinant rat Nln using MCA-Pro-Leu-Gly-Pro-D-Lys (DNP)-OH as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescence based assay
50016258	1	ChEMBL_2209167 (CHEMBL5122116)	Inhibition of SARS-CoV-2 MPro incubated for 5 mins by FRET assay
50016259	1	ChEMBL_2209238 (CHEMBL5122187)	Inhibition of Electrophorus electricus AchE using acetylcholine iodide as substrate incubated for 10 mins followed by substrate addition measured at 0 to 180 secs by Ellman's method
50016259	2	ChEMBL_2209239 (CHEMBL5122188)	Inhibition of equine serum BchE using S-butyryl thiocholine iodide as substrate incubated for 10 mins followed by substrate addition measured at 0 to 180 secs by Ellman's method
50016260	1	ChEMBL_2209287 (CHEMBL5122236)	Inhibition of TNKS1 (unknown origin)
50016260	2	ChEMBL_2209288 (CHEMBL5122237)	Inhibition of TNKS2 (unknown origin)
50016260	3	ChEMBL_2209289 (CHEMBL5122238)	Inhibition of PARP1 (unknown origin)
50016260	4	ChEMBL_2209290 (CHEMBL5122239)	Inhibition of PAPR2 (unknown origin)
50016260	5	ChEMBL_2209299 (CHEMBL5122248)	Inhibition of GST-tagged TNKS1 (1023 - 1327 residues) (unknown origin) by ELISA
50016260	6	ChEMBL_2209300 (CHEMBL5122249)	Inhibition of GST-tagged TNKS2 (873 - 1166 residues) (unknown origin) by ELISA
50016260	7	ChEMBL_2209301 (CHEMBL5122250)	Inhibition of PARP1 (unknown origin) by fluorescence based multimode plate reader method
50016260	8	ChEMBL_2209307 (CHEMBL5122256)	Binding affinity to ARC4 domain at TNKS2 (unknown origin) assessed as dissociation constant
50016260	9	ChEMBL_2209308 (CHEMBL5122257)	Binding affinity to ARC4 domain at TNKS2 (unknown origin) assessed as dissociation constant by NMR titration method
50016260	10	ChEMBL_2209309 (CHEMBL5122258)	Binding affinity to ARC4 domain at TNKS2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50016260	11	ChEMBL_2209311 (CHEMBL5122260)	Inhibition of human recombinant PARP1
50016260	12	ChEMBL_2209312 (CHEMBL5122261)	Inhibition of mouse recombinant PARP2
50016260	13	ChEMBL_2209313 (CHEMBL5122262)	Inhibition of human recombinant TNKS1
50016260	14	ChEMBL_2209314 (CHEMBL5122263)	Inhibition of human recombinant TNKS2
50016260	15	ChEMBL_2209317 (CHEMBL5122266)	Inhibition of PARP1 (unknown origin) at 10 uM relative to control
50016261	1	ChEMBL_2209325 (CHEMBL5122274)	Inhibition of GST-tagged recombinant human B-RAF V600E mutant expressed in baculovirus expression system incubated for 1 hr in presence of ATP by FRET-based Z'-Lyte analysis
50016262	1	ChEMBL_2209345 (CHEMBL5122294)	Binding affinity to BCR-ABL1 (unknown origin) assessed as dissociation constant
50016262	2	ChEMBL_2209346 (CHEMBL5122295)	Inhibition of C-terminal Prolink-peptide tagged TrkA (unknown origin) by chemiluminescence assay
50016262	3	ChEMBL_2209347 (CHEMBL5122296)	Inhibition of human recombinant ERK5 incubated for 60 mins by TR-FRET method
50016262	4	ChEMBL_2209348 (CHEMBL5122297)	Inhibition of AKT (unknown origin) in presence of ATP
50016262	5	ChEMBL_2209349 (CHEMBL5122298)	Inhibition of AKT (unknown origin)
50016262	6	ChEMBL_2209350 (CHEMBL5122299)	Inhibition of c-Met (unknown origin)
50016262	7	ChEMBL_2209351 (CHEMBL5122300)	Inhibition of human GST-fused EGFR T790M/C797S double mutant expressed in Sf9 insect cells by HTRF assay
50016262	8	ChEMBL_2209352 (CHEMBL5122301)	Inhibition of human N-terminal His6 tagged ITK (354 to 620 residues) expressed in Sf9 insect cells incubated for 30 mins by time-resolved fluorescence assay
50016262	9	ChEMBL_2209353 (CHEMBL5122302)	Inhibition of human WNK1 (198 to 401 residues) using biotinylated STK3 as substrate incubated for 2 hrs by HTRF assay
50016263	1	ChEMBL_2209371 (CHEMBL5122320)	Inhibition of human recombinant BRD4-BD2 expressed in Escherichia coli using C-Terminal-biotinylated histone H4 peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by microplate reader method
50016263	2	ChEMBL_2209373 (CHEMBL5122322)	Binding affinity to BRD4 (unknown origin)
50016263	3	ChEMBL_2209375 (CHEMBL5122324)	Inhibition of IL-1beta in mouse BMDM cells
50016263	4	ChEMBL_2209376 (CHEMBL5122325)	Inhibition of IL-17 in human PBMC
50016263	5	ChEMBL_2209377 (CHEMBL5122326)	Binding affinity to BRD4-BD1 (unknown origin)
50016263	6	ChEMBL_2209378 (CHEMBL5122327)	Inhibition of BRD4-BD1 (unknown origin)
50016263	7	ChEMBL_2209379 (CHEMBL5122328)	Inhibition of BRD4-BD2 (unknown origin)
50016263	8	ChEMBL_2209380 (CHEMBL5122329)	Binding affinity to BRD4-BD2 (unknown origin)
50016264	1	ChEMBL_2209406 (CHEMBL5122355)	Activation of GLP-1 receptor (unknown origin) expressed in CHO-K1 cells assessed as increase in cAMP accumulation by time-resolved fluorescence resonance energy transfer immunoassay
50016264	2	ChEMBL_2209409 (CHEMBL5122358)	Binding affinity to GLP-1 receptor (unknown origin) assessed as equlibrium constant by surface plasmon resonance analysis
50016265	1	ChEMBL_2209414 (CHEMBL5122363)	Inhibition of mouse recombinant CLK1 expressed in bacterial system using GRSRSRSRSRSR as substrate incubated for 30 mins by ADP-Glo assay kit method
50016265	2	ChEMBL_2209415 (CHEMBL5122364)	Inhibition of human PIM1 expressed in bacterial system using histone H1 as substrate incubated for 30 mins by ADP-Glo assay kit method
50016265	3	ChEMBL_2209416 (CHEMBL5122365)	Inhibition of CLK1 (unknown origin)
50016265	4	ChEMBL_2209417 (CHEMBL5122366)	Inhibition of PIM1 (unknown origin)
50016265	5	ChEMBL_2209422 (CHEMBL5122371)	Agonist activity at histamine H2 receptor (unknown origin)
50016266	1	ChEMBL_2209424 (CHEMBL5122373)	Positive allosteric modulation of GABA-B receptor (unknown origin) assessed as stimulation of [35S]GTPgammaS binding by [35S]GTPgammaS binding assay
50016267	1	ChEMBL_2209700 (CHEMBL5122649)	Inhibition of NLRP3 inflammasome activation in PMA differentiated LPS-primed human THP-1 cells assessed as reduction in nigericin-induced IL-1beta level pretreated for 2 hrs followed by nigericin addition and measured after 30 mins by ELISA
50016268	1	ChEMBL_2209732 (CHEMBL5122681)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated with compound followed by NADPH addition by LC-MS/MS analysis
50016268	2	ChEMBL_2209733 (CHEMBL5122682)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated with compound followed by NADPH addition by LC-MS/MS analysis
50016268	3	ChEMBL_2209734 (CHEMBL5122683)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated with compound followed by NADPH addition by LC-MS/MS analysis
50016268	4	ChEMBL_2209735 (CHEMBL5122684)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate preincubated with compound followed by NADPH addition by LC-MS/MS analysis
50016268	5	ChEMBL_2209736 (CHEMBL5122685)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with compound followed by NADPH addition by LC-MS/MS analysis
50016269	1	ChEMBL_2209828 (CHEMBL5122777)	Inhibition of human recombinant IRAK4 assessed as unphosphorylated KKARFSRFAGSSPSQSSMVAR peptide substrate measured after 2 hrs by LC-MS/MS analysis
50016269	2	ChEMBL_2209829 (CHEMBL5122778)	Inhibition of IRAK4 in IL1-stimulated human KARPAS-299 cells assessed as fluorescence intensity
50016269	3	ChEMBL_2209836 (CHEMBL5122785)	Inhibition of human ERG channel
50016270	1	ChEMBL_2209841 (CHEMBL5122790)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50016271	1	ChEMBL_2209878 (CHEMBL5122827)	Inhibition of recombinant human AKR1C3 transfected in Escherichia coli BL21 (DE) assessed as reduction in NADPH production using S-tetralol as substrate by fluorescence based analysis
50016271	2	ChEMBL_2209894 (CHEMBL5122843)	Inhibition of recombinant human AKR1C3 transfected in Escherichia coli BL21 assessed as reduction in NADPH-dependent 9,10-phenanthrenequinone conversion incubated for 20 mins by absorbance based analysis
50016271	3	ChEMBL_2209895 (CHEMBL5122844)	Inhibition of recombinant human AKR1C2 transfected in Escherichia coli BL21 assessed as reduction in NADPH-dependent 9,10-phenanthrenequinone conversion incubated for 20 mins by absorbance based analysis
50016272	1	ChEMBL_2209967 (CHEMBL5122916)	Inhibition of human HER2 incubated for 25 mins by ADP-Glo reagent based microplate reader analysis
50016273	1	ChEMBL_2209988 (CHEMBL5122937)	Inhibition of human AChE by Ellman's spectrophotometric method
50016273	2	ChEMBL_2209989 (CHEMBL5122938)	Inhibition of human BuChE by Ellman's spectrophotometric method
50016273	3	ChEMBL_2209990 (CHEMBL5122939)	Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated with enzyme for 10 mins followed by substrate addition for 2 hrs by fluorometric analysis
50016274	1	ChEMBL_2210105 (CHEMBL5123054)	Inhibition of recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells/Nrf2 (unknown origin) protein-protein interaction using FITC-LDEETGEFL-NH2 as fluorescent substrate preincubated with compound for 30 mins followed by substrate addition and measured after 1 hr by fluorescence polarization assay relative to control
50016274	2	ChEMBL_2210106 (CHEMBL5123055)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction assessed as equilibrium dissociation constant using FITC-betaAla-DEETGEF-OH as fluorescent probe substrate incubated for 60 mins by fluorescent anisotropy assay
50016274	3	ChEMBL_2210107 (CHEMBL5123056)	Inhibition of His-tagged Keap1 kelch domain/Nrf2 (unknown origin) protein-protein interaction using FITC-LDEETGEFL-NH2 peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by TR-FRET assay
50016275	1	ChEMBL_2210117 (CHEMBL5123066)	Inhibition of human native full length DNA-PK by ADP-Glo assay
50016275	2	ChEMBL_2210118 (CHEMBL5123067)	Inhibition of human PI3Kalpha by Kinase-Glo assay
50016275	3	ChEMBL_2210119 (CHEMBL5123068)	Inhibition of human PI3Kbeta by ADP-Glo assay
50016275	4	ChEMBL_2210120 (CHEMBL5123069)	Inhibition of human PI3Kgamma by ADP-Glo assay
50016275	5	ChEMBL_2210121 (CHEMBL5123070)	Inhibition of human PI3Kdelta by ADP-Glo assay
50016279	1	ChEMBL_2210233 (CHEMBL5123182)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes measured after 120 mins by scintillation counting method
50016279	2	ChEMBL_2210234 (CHEMBL5123183)	Displacement of [3H]-DTG from sigma 2 receptor in rat liver membrane measured after 120 mins by microbeta counting analysis
50016280	1	ChEMBL_2210239 (CHEMBL5123188)	Inhibition of bovine XOD assessed as inhibition of uric acid formation using xanthine as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured for 30 mins by microplate reader analysis
50016282	1	ChEMBL_2210386 (CHEMBL5123335)	Binding affinity to recombinant human GST-tagged glucocorticoid receptor ligand binding domain by TR-FRET assay relative to control
50016285	1	ChEMBL_2210417 (CHEMBL5123366)	Inhibition of CDK2/Cyclin A (unknown origin)
50016285	2	ChEMBL_2210419 (CHEMBL5123368)	Inhibition of CDK4/Cyclin D1 (unknown origin)
50016285	3	ChEMBL_2210421 (CHEMBL5123370)	Inhibition of CDK9/Cyclin T (unknown origin)
50016285	4	ChEMBL_2210423 (CHEMBL5123372)	Inhibition of GST-tagged human CDK4/Cyclin D1 (unknown origin) expressed in baculovirus infected in Sf9 cells incubated for 30 mins in presence of [gamma-32P]ATP by radiometric scintillation counter method
50016285	5	ChEMBL_2210424 (CHEMBL5123373)	Inhibition of human full-length recombinant CDK9/Cyclin T1 incubated for 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counter method
50016285	6	ChEMBL_2210426 (CHEMBL5123375)	Inhibition of CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 cells using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by scintillation counter analysis
50016285	7	ChEMBL_2210430 (CHEMBL5123379)	Inhibition of CDK7/Cyclin H (unknown origin)
50016285	8	ChEMBL_2210431 (CHEMBL5123380)	Inhibition of CDK8/Cyclin C (unknown origin)
50016285	9	ChEMBL_2210432 (CHEMBL5123381)	Inhibition of CDK9/Cyclin T1 (unknown origin)
50016285	10	ChEMBL_2210433 (CHEMBL5123382)	Inhibition of human full-length recombinant CDK2 (1 to 298 residues) expressed in baculovirus infected Sf21 insect cells in presence of ATP by enzymatic assay
50016285	11	ChEMBL_2210434 (CHEMBL5123383)	Inhibition of human full-length recombinant CDK4 (1 to 303 residues) expressed in baculovirus infected Sf21 insect cells in presence of ATP by enzymatic assay
50016285	12	ChEMBL_2210436 (CHEMBL5123385)	Inhibition of CDK2/cyclin A (unknown origin) in presence of [32P]ATP by radiometric assay
50016285	13	ChEMBL_2210438 (CHEMBL5123387)	Inhibition of VEGFR2 (unknown origin)
50016285	14	ChEMBL_2210440 (CHEMBL5123389)	Inhibition of recombinant human CA-II using 4-nitrophenylacetate as substrate by spectrophotometry
50016285	15	ChEMBL_2210442 (CHEMBL5123391)	Inhibition of CA-II (unknown origin)
50016285	16	ChEMBL_2210443 (CHEMBL5123392)	Inhibition of CSNK1A1 (unknown origin)
50016285	17	ChEMBL_2210444 (CHEMBL5123393)	Inhibition of CSNK1D (unknown origin)
50016285	18	ChEMBL_2210445 (CHEMBL5123394)	Inhibition of CSNK1E (unknown origin)
50016285	19	ChEMBL_2210446 (CHEMBL5123395)	Inhibition of CDK5/p35 (unknown origin)
50016285	20	ChEMBL_2210451 (CHEMBL5123400)	Inhibition of FLT3 (unknown origin)
50016285	21	ChEMBL_2210452 (CHEMBL5123401)	Inhibition of CDK7 (unknown origin) using N-YSPTSPSYSPTSPSYSPTSPS-C (PolII CTD) peptide as substrate in presence of ATP by luciferase assay
50016285	22	ChEMBL_2210453 (CHEMBL5123402)	Inhibition of CDK7 (unknown origin) incubated for 180 mins by LanthaScreen Eu kinase binding assay
50016285	23	ChEMBL_2210454 (CHEMBL5123403)	Inhibition of CDK19/Cyclin C (unknown origin)
50016285	24	ChEMBL_2210455 (CHEMBL5123404)	Inhibition of CDK7 (unknown origin) using 5-FAM-tagged YSPTSPSYSPTSPSYSPTSPSKKKK peptide as substrate
50016285	25	ChEMBL_2210456 (CHEMBL5123405)	Inhibition of CDK9/Cyclin T2 (unknown origin)
50016285	26	ChEMBL_2210457 (CHEMBL5123406)	Inhibition of His-tagged full-length recombinant human CDK9/Cyclin T1 expressed in insect cells using Biotin-tagged Ttds-YISPLKSPYKISEG peptide as substrate incubated for 15 mins by TR-FRET assay
50016285	27	ChEMBL_2210458 (CHEMBL5123407)	Inhibition of CDK9/Cyclin T (unknown origin) in presence of ATP by Kinomescan assay
50016287	1	ChEMBL_2210488 (CHEMBL5123437)	Inhibition of N-terminal DYKDDDD-tagged truncated FAK (376 to 1052 residues) (unknown origin) expressed in Sf21 insect cells using TK as substrate in presence of ATP measured after 50 mins by HTRF assay
50016287	2	ChEMBL_2210512 (CHEMBL5123461)	Inhibition of recombinant FAK domain (unknown origin)
50016291	1	ChEMBL_2210513 (CHEMBL5123462)	Inhibition of recombinant human His-tagged TRKA cytoplasmic domain (441 to 796 residues) expressed in insect cells using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and measured after 40 mins by FRET assay
50016291	2	ChEMBL_2210514 (CHEMBL5123463)	Inhibition of TRKA G595R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and measured after 40 mins by FRET assay
50016291	3	ChEMBL_2210515 (CHEMBL5123464)	Inhibition of TRKA G667C mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and measured after 40 mins by FRET assay
50016291	4	ChEMBL_2210517 (CHEMBL5123466)	Inhibition of TRKA G623R mutant (unknown origin) using TK-sub biotin peptide substrate preincubated for 30 mins followed by substrate addition and measured after 40 mins by FRET assay
50016292	1	ChEMBL_2210535 (CHEMBL5123484)	Inhibition of human recombinant His-tagged FLT3 kinase domain (564 to 958 residues) expressed in baculovirus expression system incubated for 30 mins in presence of ATP by HTRF analysis
50016292	2	ChEMBL_2210536 (CHEMBL5123485)	Inhibition of human recombinant His-tagged FLT3/D835Y mutant expressed in baculovirus expression system incubated for 30 mins in presence of ATP by HTRF analysis
50016292	3	ChEMBL_2210540 (CHEMBL5123489)	Binding affinity to FLT3 ITD/F691L double mutant (unknown origin) by KINOMEscan assay
50016294	1	ChEMBL_2210585 (CHEMBL5123534)	Binding affinity to 5R to 22E residues of 15N-labelled amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli BL21 (DE3)-pLysS cells assessed as chemical shift perturbation by measuring dissociation constant by Chemical shift mapping NMR analysis
50016295	1	ChEMBL_2210602 (CHEMBL5123551)	Inhibition of recombinant human SENP1 assessed as reduction in deSUMOylation using RanGAP1-SUMO1 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50016295	2	ChEMBL_2210609 (CHEMBL5123558)	Inhibition of SENP1 (unknown origin) using AMC-tagged SUMO1 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50016295	3	ChEMBL_2210610 (CHEMBL5123559)	Inhibition of SENP1 (unknown origin)
50016297	1	ChEMBL_2210611 (CHEMBL5123560)	Inhibition of human PARP-10 using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	2	ChEMBL_2210612 (CHEMBL5123561)	Inhibition of human N-terminal 6His-tagged PARP15 (460 to 656 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	3	ChEMBL_2210613 (CHEMBL5123562)	Inhibition of human PARP14 using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	4	ChEMBL_2210614 (CHEMBL5123563)	Inhibition of human PARP2 using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	5	ChEMBL_2210615 (CHEMBL5123564)	Inhibition of human N-terminal 6His-tagged TNKS2 (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	6	ChEMBL_2210616 (CHEMBL5123565)	Inhibition of human PARP-1 using NAD+ as substrate incubated for 10 mins by fluorescence based analysis
50016297	7	ChEMBL_2210617 (CHEMBL5123566)	Inhibition of human PARP3
50016297	8	ChEMBL_2210618 (CHEMBL5123567)	Inhibition of human PARP4
50016297	9	ChEMBL_2210619 (CHEMBL5123568)	Inhibition of human TNKS1
50016297	10	ChEMBL_2210620 (CHEMBL5123569)	Inhibition of human PARP12
50016297	11	ChEMBL_2210621 (CHEMBL5123570)	Inhibition of human PARP16
50016297	12	ChEMBL_2210626 (CHEMBL5123575)	Inhibition of human full length GFP-tagged PARP11 in human HeLa cells incubated for 3 hrs by chemiluminescence based analysis
50016297	13	ChEMBL_2210627 (CHEMBL5123576)	Displacement of fluorescent labeled RBN011198 from human NanoLuc-tagged full-length PARP7 expressed in HEK293T cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50016297	14	ChEMBL_2210628 (CHEMBL5123577)	Displacement of a biotinylated small molecule probe from human PARP14 catalytic domain incubated for 30 mins by TR-FRET assay
50016297	15	ChEMBL_2210629 (CHEMBL5123578)	Inhibition of human 6His-tagged PARP10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) cells by fluorescent based analysis
50016297	16	ChEMBL_2210630 (CHEMBL5123579)	Inhibition of PARP10 in human HeLa cells assessed as increase in cell colonies incubated for 10 days with replacement with fresh medium for every 4 days by methylene blue dye based colony formation assay
50016297	17	ChEMBL_2210631 (CHEMBL5123580)	Inhibition of PARP15 (unknown origin)
50016297	18	ChEMBL_2210632 (CHEMBL5123581)	Inhibition of PARP14 (unknown origin)
50016297	19	ChEMBL_2210633 (CHEMBL5123582)	Inhibition of PARP2 (unknown origin)
50016297	20	ChEMBL_2210634 (CHEMBL5123583)	Inhibition of TNKS2 (unknown origin)
50016299	1	ChEMBL_2210637 (CHEMBL5123586)	Inhibition of N-terminal His-tagged human recombinant glycolate oxidase expressed in Escherichia coli BL21 (DE3) cells using glycolate as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by Amplex red and horseradish peroxidase based fluorescence assay
50016299	2	ChEMBL_2210638 (CHEMBL5123587)	Inhibition of N-terminal His-tagged mouse recombinant glycolate oxidase expressed in Escherichia coli BL21 (DE3) cells using glycolate as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by Amplex red and horseradish peroxidase based fluorescence assay
50016299	3	ChEMBL_2210641 (CHEMBL5123590)	Inhibition of human recombinant LDHA using pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	4	ChEMBL_2210642 (CHEMBL5123591)	Inhibition of human recombinant LDHB using pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	5	ChEMBL_2210645 (CHEMBL5123594)	Non-competitive mixed inhibition of N-terminal His-tagged human recombinant glycolate oxidase expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant using varying concentration of glycolate as substrate measured every 60 sec for 15 mins by Amplex red and horseradish peroxidase based fluorescence assay
50016299	6	ChEMBL_2210646 (CHEMBL5123595)	Non-competitive mixed inhibition of N-terminal His-tagged mouse recombinant glycolate oxidase expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant using varying concentration of glycolate as substrate measured every 60 sec for 15 mins by Amplex red and horseradish peroxidase based fluorescence assay
50016299	7	ChEMBL_2210649 (CHEMBL5123598)	Non-competitive inhibition of human recombinant LDHA assessed as inhibition constant using varying concentration of pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	8	ChEMBL_2210650 (CHEMBL5123599)	Mixed inhibition of human recombinant LDHA assessed as inhibition constant using varying concentration of pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	9	ChEMBL_2210651 (CHEMBL5123600)	Non-competitive inhibition of human recombinant LDHB assessed as inhibition constant using varying concentration of pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	10	ChEMBL_2210652 (CHEMBL5123601)	Mixed inhibition of human recombinant LDHB assessed as inhibition constant using varying concentration of pyruvate as substrate preincubated for 10 mins followed by substrate addition and measured every 60 sec for 10 mins in the presence of NADH by fluorescence assay
50016299	11	ChEMBL_2210680 (CHEMBL5123629)	Inhibition of ovine COX-1 using arachidonic acid as substrate measured every 60 sec for 10 mins by fluorescence based assay
50016299	12	ChEMBL_2210681 (CHEMBL5123630)	Inhibition of human COX-2 using arachidonic acid as substrate measured every 60 sec for 10 mins by fluorescence based assay
50016300	1	ChEMBL_2210698 (CHEMBL5123647)	Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate incubated for 45 mins in the presence of deoxy-oligonucleotide by microplate reader method relative to control
50016300	2	ChEMBL_2210699 (CHEMBL5123648)	Inhibition of TNKS1 (unknown origin) using biotin-NAD+ as substrate incubated for 1 hr in the presence of deoxy-oligonucleotide by ELISA analysis relative to control
50016300	3	ChEMBL_2210700 (CHEMBL5123649)	Inhibition of TNKS2 (unknown origin) using biotin-NAD+ as substrate incubated for 1 hr in the presence of deoxy-oligonucleotide by ELISA analysis relative to control
50016300	4	ChEMBL_2210723 (CHEMBL5123672)	Inhibition of PAPR-2 (unknown origin)
50016300	5	ChEMBL_2210724 (CHEMBL5123673)	Inhibition of PARP-7 (unknown origin)
50016300	6	ChEMBL_2210725 (CHEMBL5123674)	Inhibition of PARP-10 (unknown origin)
50016300	7	ChEMBL_2210726 (CHEMBL5123675)	Inhibition of PARP-12 (unknown origin)
50016300	8	ChEMBL_2210727 (CHEMBL5123676)	Inhibition of PARP-14 (unknown origin)
50016300	9	ChEMBL_2210743 (CHEMBL5123692)	Inhibition of PARP-1 (unknown origin)
50016301	1	ChEMBL_2210744 (CHEMBL5123693)	Inhibition of human p300 HAT domain (1195 to 1673 residues) using histone H3 peptide and acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 30 mins by beckman scintillation counting analysis
50016301	2	ChEMBL_2210748 (CHEMBL5123697)	Inhibition of biotinylated histone H4 peptide binding to His-tagged human p300 HAT domain (1195 to 1673 residues) assessed as reduction in alpha signal incubated for 1 hr by amplified luminescent proximity homogeneous assay
50016301	3	ChEMBL_2210750 (CHEMBL5123699)	Inhibition of human CBP-HAT domain using histone H3 peptide and acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 30 mins by beckman scintillation counting analysis
50016301	4	ChEMBL_2210751 (CHEMBL5123700)	Inhibition of human PCAF using histone H3 peptide and acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 30 mins by beckman scintillation counting analysis
50016301	5	ChEMBL_2210752 (CHEMBL5123701)	Inhibition of human Myst3 using histone H3 peptide and acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 30 mins by beckman scintillation counting analysis
50016301	6	ChEMBL_2210774 (CHEMBL5123723)	Inhibition of recombinant p300 (unknown origin) using mixed histones and acetyl-coA as substrates incubated for 10 mins
50016301	7	ChEMBL_2210775 (CHEMBL5123724)	Inhibition of p300 HAT domain (unknown origin) using histone H4-15 peptide and acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 10 mins
50016301	8	ChEMBL_2210776 (CHEMBL5123725)	Inhibition of human p300 HAT catalytic domain using histone H3 peptide and acetyl-coA as substrates preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50016301	9	ChEMBL_2210777 (CHEMBL5123726)	Inhibition of human recombinant p300 HAT domain using histone H4 peptide and acetyl-coA as substrates preincubated for 30 mins followed by substrate addition and measured after 1 hr by TopCount scintillation counting method
50016303	1	ChEMBL_2210778 (CHEMBL5123727)	Inhibition of YFP tagged ANO1 (unknown origin) expressed in FRT cells incubated for 24 hrs by fluorescence plate reader assay
50016303	2	ChEMBL_2210781 (CHEMBL5123730)	Cardiotoxicity against human ERG expressed in HEK293 cells by patch clamp assay
50016303	3	ChEMBL_2210828 (CHEMBL5123777)	Inhibition of human ANO2 expressed in HEK293 cells incubated for 5 mins by whole cell patch clamp electrophysiology
50016305	1	ChEMBL_2210854 (CHEMBL5123803)	Binding affinity to human LSD1/CoREST assessed as dissociation constant by competitive fluorescence polarization assay
50016305	2	ChEMBL_2210855 (CHEMBL5123804)	Inhibition of human LSD1/CoREST using histone H3 peptide as substrate by fluorescence polarization assay
50016305	3	ChEMBL_2210856 (CHEMBL5123805)	Inhibition of G9a (unknown origin) assessed as reduction in substrate methylation using histone H3 and SAM as substrate measured after 15 to 60 mins by microfluidic capillary electrophoresis analysis
50016305	4	ChEMBL_2210858 (CHEMBL5123807)	Inhibition of DOTL1 (unknown origin) using [3H]SAM and HeLa oligo nucleosomes as substrates incubated for 1 hr
50016305	5	ChEMBL_2210860 (CHEMBL5123809)	Inhibition of SETD8 (unknown origin) using [3H]SAM and HeLa nucleosomes as substrates incubated for 1 hr
50016305	6	ChEMBL_2210862 (CHEMBL5123811)	Inhibition of EZH2 (unknown origin) using [3H]SAM and chicken core histone as substrates incubated for 1 hr
50016305	7	ChEMBL_2210864 (CHEMBL5123813)	Inhibition of PRMT1 (unknown origin) using [3H]SAM and chicken histone 4 as substrates incubated for 1 hr
50016305	8	ChEMBL_2210866 (CHEMBL5123815)	Inhibition of human MAO-A using p-tyramine as substrate by fluorimetric analysis
50016305	9	ChEMBL_2210868 (CHEMBL5123817)	Inhibition of human MAO-B using p-tyramine as substrate by fluorimetric analysis
50016308	1	ChEMBL_2210977 (CHEMBL5123926)	Inhibition of EZH2 (unknown origin)
50016308	2	ChEMBL_2210979 (CHEMBL5123928)	Inhibition of EZH2 in human OCILY19 cells assessed as reduction in H3K27me3 level treated for 96 hrs by Western blot analysis
50016308	3	ChEMBL_2210981 (CHEMBL5123930)	Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 level treated for 4 days by cellular assay based Western blot analysis
50016308	4	ChEMBL_2210982 (CHEMBL5123931)	Inhibition of EZH2 Y641F mutant (unknown origin)
50016308	5	ChEMBL_2210983 (CHEMBL5123932)	Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 level
50016308	6	ChEMBL_2210985 (CHEMBL5123934)	Inhibition of EZH2 (unknown origin) assessed as inhibition constant
50016308	7	ChEMBL_2210986 (CHEMBL5123935)	Inhibition of EZH2 Y641N mutant (unknown origin)
50016308	8	ChEMBL_2210987 (CHEMBL5123936)	Inhibition of wild-type EZH2 (unknown origin)
50016308	9	ChEMBL_2210992 (CHEMBL5123941)	Inhibition of PARP1 (unknown origin)
50016308	10	ChEMBL_2210995 (CHEMBL5123944)	Inhibition of wild-type EZH2 (unknown origin) by AlphaLisa assay
50016308	11	ChEMBL_2210996 (CHEMBL5123945)	Inhibition of EZH2 Y641F mutant (unknown origin) by AlphaLisa assay
50016308	12	ChEMBL_2210997 (CHEMBL5123946)	Inhibition of wild-type EZH1 (unknown origin) by AlphaLisa assay
50016308	13	ChEMBL_2211003 (CHEMBL5123952)	Inhibition of EZH1 (unknown origin) by AlphaLisa assay
50016308	14	ChEMBL_2211006 (CHEMBL5123955)	Displacement of [3H]-SAM from N-terminal FLAG-tev-tagged human EZH2 expressed in baculovirus infected insect cells by liquid scintillation counter method
50016308	15	ChEMBL_2211007 (CHEMBL5123956)	Inhibition of EZH1 (unknown origin)
50016308	16	ChEMBL_2211009 (CHEMBL5123958)	Inhibition of wild-type EZH2 (494 to 737 residues) (unknown origin) expressed in Escherichia coli by AlphaLisa assay
50016308	17	ChEMBL_2211010 (CHEMBL5123959)	Displacement of [3H]-SAM from human EZH2 using histone substrate incubated for 1 hr by competitive binding assay
50016308	18	ChEMBL_2211011 (CHEMBL5123960)	Inhibition of EZH2 (unknown origin) using histone H3 as substrate by radiometric assay
50016308	19	ChEMBL_2211013 (CHEMBL5123962)	Displacement of [3H]-SAM from EZH2 (unknown origin) using histone H3 as substrate incubated for 2 hrs by cell-free assay
50016308	20	ChEMBL_2211014 (CHEMBL5123963)	Displacement of [3H]-SAM from EZH1 (unknown origin) using histone H3 as substrate incubated for 2 hrs by cell-free assay
50016308	21	ChEMBL_2211019 (CHEMBL5123968)	Inhibition of EZH2 (unknown origin) using unmethylated H3K27 as substrate in presence of SAM by biochemical assay
50016308	22	ChEMBL_2211020 (CHEMBL5123969)	Inhibition of EZH1 (unknown origin) using dimethylated H3K27 as substrate in presence of SAM by biochemical assay
50016308	23	ChEMBL_2211025 (CHEMBL5123974)	Inhibition of SAH hydrolase (unknown origin) assessed as inhibition constant
50016308	24	ChEMBL_2211032 (CHEMBL5123981)	Inhibition of EHMT2 (unknown origin)
50016308	25	ChEMBL_2211035 (CHEMBL5123984)	Inhibition of EZH2 (unknown origin) using biotinylated peptide/SAM as substrate incubated for 1 hr by AlphaLisa assay
50016309	1	ChEMBL_2211246 (CHEMBL5124195)	Inhibition of recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 using LGSAVLQ-rhodamine 110-dp as fluorogenic substrate preincubated for 15 mins followed by substrate addition by spectrophotometry analysis
50016313	1	ChEMBL_2211253 (CHEMBL5124202)	Displacement of [I125I]AngII form pig AT2 receptor myometrial membrane incubated for 1.5 hrs by gamma counting method
50016313	2	ChEMBL_2211254 (CHEMBL5124203)	Agonist activity at AT2 receptor in HEK293 cells
50016313	3	ChEMBL_2211255 (CHEMBL5124204)	Displacement of [I125I]AngII form AT1 receptor in rat liver membrane incubated for 1.5 hrs by gamma counting method
50016313	4	ChEMBL_2211256 (CHEMBL5124205)	Displacement of 125I-[Sar1,Ile8]ANGII form AT1 receptor (unknown origin)
50016313	5	ChEMBL_2211257 (CHEMBL5124206)	Displacement of 125I-[Sar1,Ile8]ANGII form AT2 receptor (unknown origin)
50016313	6	ChEMBL_2211258 (CHEMBL5124207)	Displacement of 125I-[Sar1,Ile8]ANGII form recombinant human full length AT2 receptor expressed in HEK293 cells incubated for 120 mins by scintillation counting method
50016313	7	ChEMBL_2211259 (CHEMBL5124208)	Displacement of 125I-[Sar1,Ile8]ANGII form recombinant human full length AT1 receptor expressed in HEK293 cells incubated for 120 mins by scintillation counting method
50016314	1	ChEMBL_2211326 (CHEMBL5124275)	Inhibition of EP300 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA method
50016315	1	ChEMBL_2211402 (CHEMBL5124351)	Inhibition of human NaPi2b expressed in CHO-K1 cells assessed as reduction in [33P] uptake preincubated with compound for 30 mins followed by [33P]O4 addition and measured after 30 mins by TopCount liquid scintillation counting method
50016315	2	ChEMBL_2211403 (CHEMBL5124352)	Inhibition of rat NaPi2b expressed in CHO-K1 cells assessed as reduction in [33P] uptake preincubated with compound for 30 mins followed by [33P]O4 addition and measured after 10 mins by TopCount liquid scintillation counting method
50016315	3	ChEMBL_2211415 (CHEMBL5124364)	Inhibition of NaPi2b (unknown origin)
50016316	1	ChEMBL_2211422 (CHEMBL5124371)	Inhibition of alpha-Synuclein (unknown origin) aggregation assessed as aggregation inhibitory ratio by measuring relative fluorescence intensity and measured after 72 hrs by ThT flourescence assay
50016318	1	ChEMBL_2211435 (CHEMBL5124384)	Inhibition of BTK T474M mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP by Microfluidic chip based mobility shift assay
50016318	2	ChEMBL_2211436 (CHEMBL5124385)	Inhibition of His-tagged full-length recombinant wild-type human BTK (Ala2 to Ser659 residues) expressed in baculovirus infected insect cells incubated for 30 mins in presence of ATP by Microfluidic chip based mobility shift assay
50016318	3	ChEMBL_2211437 (CHEMBL5124386)	Inhibition of BTK C481S mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by Microfluidic chip based mobility shift assay
50016318	4	ChEMBL_2211438 (CHEMBL5124387)	Inhibition of BTK C481R mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP by Microfluidic chip based mobility shift assay
50016318	5	ChEMBL_2211439 (CHEMBL5124388)	Inhibition of BTK T474I mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP by Microfluidic chip based mobility shift assay
50016318	6	ChEMBL_2211440 (CHEMBL5124389)	Inhibition of wild-type BTK (unknown origin)
50016318	7	ChEMBL_2211441 (CHEMBL5124390)	Inhibition of BTK C481S mutant (unknown origin)
50016318	8	ChEMBL_2211443 (CHEMBL5124392)	Inhibition of BTK (unknown origin)
50016320	1	ChEMBL_2211469 (CHEMBL5124418)	Inhibition of Escherichia coli FabL assessed as measuring NADH consumption rate
50016320	2	ChEMBL_2211492 (CHEMBL5124441)	Inhibition of human PDF by spectrophotometric analysis
50016320	3	ChEMBL_2211493 (CHEMBL5124442)	Binding affinity to beta-catenin (142 to 686 residues) (unknown origin)/C-terminal fluorescein-labeled human Tcf4 (7 to 51 residues) assessed as inhibition constant by fluorescence polarization competitive assay
50016323	1	ChEMBL_2211518 (CHEMBL5124467)	Inhibition of PARP2 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	2	ChEMBL_2211519 (CHEMBL5124468)	Inhibition of TNKS2 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	3	ChEMBL_2211520 (CHEMBL5124469)	Inhibition of PARP1 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	4	ChEMBL_2211521 (CHEMBL5124470)	Inhibition of PARP14 (unknown origin) expressed in bacterial expression system using histone substrate incubated for 60 mins by chemiluminescence assay
50016323	5	ChEMBL_2211522 (CHEMBL5124471)	Inhibition of PARP10 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	6	ChEMBL_2211523 (CHEMBL5124472)	Inhibition of PARP15 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	7	ChEMBL_2211524 (CHEMBL5124473)	Inhibition of PARP14 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	8	ChEMBL_2211525 (CHEMBL5124474)	Inhibition of TNKS1 (unknown origin) expressed in Escherichia coli Rosette2 (DE3)
50016323	9	ChEMBL_2211527 (CHEMBL5124476)	Inhibition of C-terminal his-tagged human PARP10 expressed in Escherichia coli Rosette2 (DE3)
50016323	10	ChEMBL_2211528 (CHEMBL5124477)	Inhibition of N-terminal his-tagged human PARP15 expressed in Escherichia coli Rosette2 (DE3)
50016323	11	ChEMBL_2211529 (CHEMBL5124478)	Inhibition of N-terminal his-tagged human PARP14 expressed in Escherichia coli Rosette2 (DE3)
50016323	12	ChEMBL_2211530 (CHEMBL5124479)	Inhibition of N-terminal his-tagged human TNKS1 expressed in Escherichia coli Rosette2 (DE3)
50016323	13	ChEMBL_2211531 (CHEMBL5124480)	Inhibition of N-terminal his-tagged human TNKS2 expressed in Escherichia coli Rosette2 (DE3)
50016323	14	ChEMBL_2211532 (CHEMBL5124481)	Inhibition of N-terminal his-tagged human PARP1 expressed in Escherichia coli Rosette2 (DE3)
50016323	15	ChEMBL_2211533 (CHEMBL5124482)	Inhibition of N-terminal his-tagged human PARP2 expressed in Escherichia coli Rosette2 (DE3)
50016323	16	ChEMBL_2211535 (CHEMBL5124484)	Inhibition of PARP10 (unknown origin)
50016323	17	ChEMBL_2211536 (CHEMBL5124485)	Inhibition of PARP14 (unknown origin) incubated for 1 hr by ELISA
50016323	18	ChEMBL_2211537 (CHEMBL5124486)	Displacement of [3H]NAD+ from GST-tagged PARP14 (unknown origin) incubated for 210 mins by radiometric assay
50016323	19	ChEMBL_2211538 (CHEMBL5124487)	Inhibition of PARP14 (unknown origin)
50016323	20	ChEMBL_2211539 (CHEMBL5124488)	Inhibition of PARP14 (unknown origin) by TR-FRET assay
50016323	21	ChEMBL_2211540 (CHEMBL5124489)	Inhibition of PARP11 (unknown origin)
50016323	22	ChEMBL_2211541 (CHEMBL5124490)	Inhibition of PARP1 (unknown origin)
50016323	23	ChEMBL_2211542 (CHEMBL5124491)	Inhibition of PARP2 (unknown origin)
50016323	24	ChEMBL_2211543 (CHEMBL5124492)	Inhibition of PARP3 (unknown origin)
50016323	25	ChEMBL_2211544 (CHEMBL5124493)	Inhibition of TNKS1 (unknown origin)
50016323	26	ChEMBL_2211545 (CHEMBL5124494)	Inhibition of PARP15 (unknown origin)
50016323	27	ChEMBL_2211546 (CHEMBL5124495)	Inhibition of biotinylated recombinant human PARP15 expressed in Escherichia coli BL21 (DE3)
50016323	28	ChEMBL_2211547 (CHEMBL5124496)	Inhibition of biotinylated recombinant human PARP12 expressed in Escherichia coli BL21 (DE3)
50016323	29	ChEMBL_2211548 (CHEMBL5124497)	Inhibition of PARP16 (unknown origin) using IRE-1 as substrate incubated for 1 hr by chemiluminescence assay
50016323	30	ChEMBL_2211549 (CHEMBL5124498)	Inhibition of recombinant human PARP3 using IRE-1 as substrate incubated for 1 hr by chemiluminescence assay
50016323	31	ChEMBL_2211550 (CHEMBL5124499)	Inhibition of PARP4 (unknown origin)
50016323	32	ChEMBL_2211551 (CHEMBL5124500)	Inhibition of TNKS2 (unknown origin)
50016323	33	ChEMBL_2211552 (CHEMBL5124501)	Inhibition of PARP6 (unknown origin)
50016323	34	ChEMBL_2211553 (CHEMBL5124502)	Inhibition of PARP7 (unknown origin)
50016323	35	ChEMBL_2211554 (CHEMBL5124503)	Inhibition of PARP8 (unknown origin)
50016323	36	ChEMBL_2211555 (CHEMBL5124504)	Inhibition of PARP12 (unknown origin)
50016323	37	ChEMBL_2211556 (CHEMBL5124505)	Inhibition of PARP9 (unknown origin)
50016323	38	ChEMBL_2211557 (CHEMBL5124506)	Inhibition of PARP16 (unknown origin)
50016323	39	ChEMBL_2211558 (CHEMBL5124507)	Binding affinity to PARP7 (unknown origin) assessed as dissociation constant
50016323	40	ChEMBL_2211560 (CHEMBL5124509)	Inhibition of PARP14 MD2 (unknown origin)
50016323	41	ChEMBL_2211561 (CHEMBL5124510)	Inhibition of human PARP14 MD2 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaScreen assay
50016323	42	ChEMBL_2211562 (CHEMBL5124511)	Binding affinity to CM5 sensor chip immobilized human PARP14 MD2 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant measured after 6 mins by SPR analysis
50016327	1	ChEMBL_2211574 (CHEMBL5124523)	Binding affinity to His-SUMO-tagged human STAT3 (127 to 688 residues) expressed in Escherichia coli Rosette (DE3) assessed as dissociation constant using SD-45-FL as substrate measured after 1 hr by Fluorescence Polarization assay
50016327	2	ChEMBL_2211575 (CHEMBL5124524)	Binding affinity to His-tagged human STAT1 (132 to 713 residues) expressed in Escherichia coli Rosette (DE3) assessed as dissociation constant using SD-45-FL as substrate measured after 1 hr by Fluorescence Polarization assay
50016327	3	ChEMBL_2211576 (CHEMBL5124525)	Binding affinity to His-MBP-tagged human STAT4 (133 to 705 residues) expressed in Escherichia coli Rosette (DE3) assessed as dissociation constant using SD-45-FL as substrate measured after 1 hr by Fluorescence Polarization assay
50016331	1	ChEMBL_2211577 (CHEMBL5124526)	Inhibition of AChE in human Erythrocyte incubated for 20 mins by Ellman reagent based spectrophotometry
50016332	1	ChEMBL_2211676 (CHEMBL5124625)	Inhibition of Aurora A (unknown origin)
50016332	2	ChEMBL_2211677 (CHEMBL5124626)	Inhibition of Aurora B (unknown origin)
50016332	3	ChEMBL_2211679 (CHEMBL5124628)	Inhibition of Aurora A (122 to 403 residues) (unknown origin) expressed in Escherichia coli Rosetta 2(DE3) assessed as reduction in TACC3 phosphorylation at Ser 558 residue using TACC3 (519 to 838 residues) as substrate measured after 30 mins by Western blot analysis
50016333	1	ChEMBL_2211766 (CHEMBL5124715)	Binding affinity to NSD3 (unknown origin) assessed as dissociation constant
50016333	2	ChEMBL_2211767 (CHEMBL5124716)	Inhibition of GST-tagged NSD3-PWWP1 domain (247 to 398 residues) (unknown origin) by TR-FRET assay
50016333	3	ChEMBL_2211768 (CHEMBL5124717)	Binding affinity to N-terminal His6/Sumo-tagged NSD2 PWWP1 domain (211 to 350 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using ATKAARKSAPATGGV-Lys (me)2-KPHRYRPG polypeptide as substrate incubated for 3 hrs by HTRF assay
50016336	1	ChEMBL_2211900 (CHEMBL5124849)	Agonist activity at human A1 receptor expressed in Flp-In-CHO cells assessed as inhibition of forskolin stimulated cAMP accumulation incubated for 30 mins by LANCE cAMP assay
50016336	2	ChEMBL_2211902 (CHEMBL5124851)	Agonist activity at human A1 receptor expressed in Flp-In-CHO cells assessed as stimulation of calcium mobilization by calcium mobilization assay
50016336	3	ChEMBL_2211904 (CHEMBL5124853)	Agonist activity at human A2A receptor expressed in Flp-In-CHO cells assessed as cAMP accumulation incubated for 30 mins by LANCE cAMP assay
50016336	4	ChEMBL_2211905 (CHEMBL5124854)	Agonist activity at human A2B receptor expressed in Flp-In-CHO cells assessed as cAMP accumulation incubated for 10 mins in presence of forskolin by LANCE cAMP assay
50016336	5	ChEMBL_2211906 (CHEMBL5124855)	Agonist activity at human A3 receptor expressed in Flp-In-CHO cells assessed as cAMP accumulation incubated for 30 mins in presence of forskolin by LANCE cAMP assay
50016336	6	ChEMBL_2211909 (CHEMBL5124858)	Agonist activity at A2BR in human NHVCF cells assessed as cAMP accumulation incubated for 30 mins by LANCE cAMP assay
50016336	7	ChEMBL_2211910 (CHEMBL5124859)	Agonist activity at A2BR in human NHVCF cells assessed as cAMP accumulation incubated for 30 mins in presence of PSB603 by LANCE cAMP assay
50016337	1	ChEMBL_2212003 (CHEMBL5124952)	Binding affinity to gankyrin (unknown origin) by isothermal titration calorimetry
50016337	2	ChEMBL_2212004 (CHEMBL5124953)	Binding affinity to gankyrin (unknown origin) expressed in Escherichia coli BL21 (DE3) expression system assessed as dissociation constant at 1:1 protein to compound concentration by isothermal titration calorimetry
50016338	1	ChEMBL_2212111 (CHEMBL5125060)	Inhibition of N-terminal His-tagged human FTO expressed in Escherichia coli BL21(DE3) by PAGE based assay
50016339	1	ChEMBL_2212408 (CHEMBL5125357)	Inhibition of N-terminal His6-tagged recombinant full length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay
50016339	2	ChEMBL_2212409 (CHEMBL5125358)	Inhibition of N-terminal His6-tagged recombinant full length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay
50016339	3	ChEMBL_2212410 (CHEMBL5125359)	Inhibition of N-terminal His6-tagged recombinant full length human PI3Kalpha expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay
50016339	4	ChEMBL_2212411 (CHEMBL5125360)	Inhibition of N-terminal His6-tagged recombinant full length human PI3Kbeta expressed in baculovirus infected Sf21 insect cells incubated for 30 mins by HTRF assay
50016340	1	ChEMBL_2212458 (CHEMBL5125407)	Inhibition of recombinant human N-terminal GST-tagged TAK1 (1 to 303 residues)/TAB1 (437 to end residues) expressed in baculovirus infected Sf9 insect cells using myelin basic protein as substrate preincubated for 10 mins followed by ATP addition and measured after 45 mins by kinase-glo luminescence assay
50016341	1	ChEMBL_2212559 (CHEMBL5125508)	Displacement of 3H-E2 from ERalpha in human MCF7 incubated for 2 hrs by competition binding assay
50016341	2	ChEMBL_2212560 (CHEMBL5125509)	Binding affinity to ERalpha (unknown origin) co-expressed wih Gal4-alphaII-VP16 transfected in human HepG2 cells incubated for 24 hrs by LiSA assay
50016341	3	ChEMBL_2212561 (CHEMBL5125510)	Agonist activity at RST7-ERalpha (unknown origin) co-expressed with (ERE)TK-luciferase reporter plasmid transfected in human HepG2 cells incubated for 24 hrs by Renilla luciferase based reporter assay
50016342	1	ChEMBL_2212565 (CHEMBL5125514)	Inhibition of Med25 transcriptional activation in human MCF-7 cells by fluorescence polarization assay
50016342	2	ChEMBL_2212567 (CHEMBL5125516)	Inhibition of PHPT1 (unknown origin) using DiFMUP as fluorogenic substrate incubated for 30 mins followed by substrate addition and measured every 60 seconds for 30 mins by fluorogenic assay
50016342	3	ChEMBL_2212573 (CHEMBL5125522)	Inhibition of PHPT1 (unknown origin) assessed as inhibition constant measured up to 100 uM incubated up to 30 mins using DiFMUP as fluorogenic substrate by fluorogenic assay
50016343	1	ChEMBL_2212579 (CHEMBL5125528)	Inhibition of mouse HDAC6 expressed in human HEK-293T cells using fluorescent peptide Ac-KGLGK(Ac)-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorogenic assay
50016343	2	ChEMBL_2212580 (CHEMBL5125529)	Inhibition of human HDAC1 expressed in human HEK-293T cells using fluorescent peptide RHKKAc as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorogenic assay
50016343	3	ChEMBL_2212581 (CHEMBL5125530)	Inhibition of human HDAC4 using fluorescent peptide Boc-Lys(trifluoroacetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorogenic assay
50016343	4	ChEMBL_2212585 (CHEMBL5125534)	Inhibition of human ERG potassium channel by fluorescence polarization assay
50016344	1	ChEMBL_2212596 (CHEMBL5125545)	Inhibition of SETD2 (1434 to 1711 residues) (unknown origin) using SAM and biotin-Ahx-RKSAPATGGVKKPHR-NH2 as substrate preincubated for 30 mins followed by substrate addition by topcount scintillation counting method
50016344	2	ChEMBL_2212597 (CHEMBL5125546)	Inhibition of SETD2 in human A549 cells assessed as reduction in H3K36me3 incubated for 3 days by in-cell western assay
50016344	3	ChEMBL_2212604 (CHEMBL5125553)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by LC-MS/MS analysis
50016344	4	ChEMBL_2212605 (CHEMBL5125554)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis
50016344	5	ChEMBL_2212606 (CHEMBL5125555)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis
50016344	6	ChEMBL_2212607 (CHEMBL5125556)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis
50016344	7	ChEMBL_2212608 (CHEMBL5125557)	Inhibition of CYP2C19 in human liver microsomes using (s)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis
50016344	8	ChEMBL_2212609 (CHEMBL5125558)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after 20 mins by LC-MS/MS analysis
50016344	9	ChEMBL_2212610 (CHEMBL5125559)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins by LC-MS/MS analysis
50016344	10	ChEMBL_2212612 (CHEMBL5125561)	Antagonist activity at D2 receptor (unknown origin)
50016344	11	ChEMBL_2212613 (CHEMBL5125562)	Agonist activity at 5-HT1B receptor (unknown origin)
50016345	1	ChEMBL_2212678 (CHEMBL5125627)	Inhibition of AURKB (unknown origin)
50016346	1	ChEMBL_2212689 (CHEMBL5125638)	Binding affinity to recombinant Trypanosoma brucei rhodesiense rhodesain assessed as inhibition constant using Cbz-Phe-Arg-AMC as fluorogenic substrate measured for 10 mins every 30 seconds by fluorescence microplate reader assay
50016347	1	ChEMBL_2212708 (CHEMBL5125657)	Binding affinity to PPARalpha (unknown origin) by TR-FRET based LanthaScreen competitive binding assay
50016347	2	ChEMBL_2212709 (CHEMBL5125658)	Binding affinity to PPARgamma (unknown origin) by TR-FRET based LanthaScreen competitive binding assay
50016347	3	ChEMBL_2212710 (CHEMBL5125659)	Binding affinity to PPARdelta (unknown origin) by TR-FRET based LanthaScreen competitive binding assay
50016347	4	ChEMBL_2212719 (CHEMBL5125668)	Antagonist activity at PPARdelta (unknown origin) by TR-FRET assay
50016348	1	ChEMBL_2212731 (CHEMBL5125680)	Inhibition of N-terminal His6-tagged recombinant human BRD4 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) incubated for 60 mins by TR-FRET assay
50016348	2	ChEMBL_2212777 (CHEMBL5125726)	Inhibition of BRD2 (unknown origin)
50016348	3	ChEMBL_2212778 (CHEMBL5125727)	Inhibition of BRD3 (unknown origin)
50016350	1	ChEMBL_2212869 (CHEMBL5125818)	Inhibition of C-terminal domain of human sEH-H assessed as reduction in fluorescent naphthalene aldehyde formation using PHOME as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every minute for 45 mins by fluorescence based analysis
50016350	2	ChEMBL_2212870 (CHEMBL5125819)	Inhibition of C-terminal domain of mouse sEH-H assessed as reduction in fluorescent naphthalene aldehyde formation using PHOME as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured every minute for 45 mins by fluorescence based analysis
50016350	3	ChEMBL_2212875 (CHEMBL5125824)	Binding affinity to NanoLuc-fused human sEH ( 1 to 555 residues) expressed in HEK293T cells incubated for 5 hrs by NanoBRET analysis
50016350	4	ChEMBL_2212877 (CHEMBL5125826)	Displacement of (1R,3S)-N-(4-methoxy-2-(trifluoromethyl)benzyl)-3-((7-nitrobenzo[c][1,2,5]-oxadiazol-4-yl)amino)cyclohexane-1-carboxamide from NanoLuc-fused human sEH ( 1 to 555 residues) expressed in HEK293T cells incubated for 5 hrs by NanoBRET analysis
50016350	5	ChEMBL_2212880 (CHEMBL5125829)	Inhibition of human sEH BacMam transduced HEK293 cells assessed as reduction in 14,15-DHET formation using 14,15-EET as substrate preincubated for 30 mins followed by susbtrate addition and measured after 90 mins by fluorescence polarization assay
50016351	1	ChEMBL_2212881 (CHEMBL5125830)	Inhibition of human recombinant N-terminal GST tagged ALK2 (147 to end residues) expressed in baculovirus infected in Sf9 cells assessed as loss of peptide phosphorylation activity using peptide substrate in presence of ATP and measured after 3 hrs by HTRF assay
50016351	2	ChEMBL_2212882 (CHEMBL5125831)	Inhibition of ALK2 in human HeLa cells assessed as reduction in BMP-7 induced SMAD1 phosphorylation incubated for 1 hr followed BMP-7 stimulation for 30 mins by HTRF assay
50016351	3	ChEMBL_2212883 (CHEMBL5125832)	Inhibition of recombinant human C-terminal GST tagged ALK1 (144 to end residues) expressed in baculovirus assessed as loss of peptide phosphorylation activity using peptide substrate in presence of ATP and measured after 1 hrs by HTRF assay
50016351	4	ChEMBL_2212884 (CHEMBL5125833)	Inhibition of recombinant human N-terminal GST-tagged ALK3 (187 to 532 residues) expressed in baculovirus assessed as loss of peptide phosphorylation activity using peptide substrate in presence of ATP and measured after 1 hrs by HTRF assay
50016351	5	ChEMBL_2212885 (CHEMBL5125834)	Inhibition of recombinant human GST-tagged full length ALK5 expressed in baculovirus assessed as loss of peptide phosphorylation activity using peptide substrate in presence of ATP and measured after 1 hrs by HTRF assay
50016351	6	ChEMBL_2212889 (CHEMBL5125838)	Inhibition of Hepcidin in human Huh-7 cells assessed as inhibition of BMP-7 induced hepcidin production incubated for 16 to 24 hrs by ELISA method
50016351	7	ChEMBL_2212890 (CHEMBL5125839)	Inhibition of FGFR3 (unknown origin) using peptide substrate incubated for 90 mins in presence of ATP by HTRF assay
50016351	8	ChEMBL_2212901 (CHEMBL5125850)	Inhibition of CYP1A2 (unknown origin)
50016351	9	ChEMBL_2212902 (CHEMBL5125851)	Inhibition of CYP2B6 (unknown origin)
50016351	10	ChEMBL_2212903 (CHEMBL5125852)	Inhibition of CYP2C8 (unknown origin)
50016351	11	ChEMBL_2212904 (CHEMBL5125853)	Inhibition of CYP2C9 (unknown origin)
50016351	12	ChEMBL_2212905 (CHEMBL5125854)	Inhibition of CYP2C19 (unknown origin)
50016351	13	ChEMBL_2212906 (CHEMBL5125855)	Inhibition of CYP2D6 (unknown origin)
50016351	14	ChEMBL_2212907 (CHEMBL5125856)	Inhibition of CYP3A4 (unknown origin)
50016352	1	ChEMBL_2212961 (CHEMBL5125910)	Inhibition of recombinant human BRD4-1 (44 to 168 residues) expressed in bacterial expression system by bromoscan assay
50016352	2	ChEMBL_2212962 (CHEMBL5125911)	Inhibition of recombinant human BRD4-2 (333 to 460 residues) expressed in bacterial expression system by bromoscan assay
50016352	3	ChEMBL_2212963 (CHEMBL5125912)	Binding affinity to BRD4-T (unknown origin)
50016352	4	ChEMBL_2212964 (CHEMBL5125913)	Inhibition of recombinant human BRDT-1 (21 to 137 residues) expressed in bacterial expression system by bromoscan assay
50016352	5	ChEMBL_2212965 (CHEMBL5125914)	Inhibition of recombinant human BRDT-2 (250 to 382 residues) expressed in bacterial expression system by bromoscan assay
50016352	6	ChEMBL_2212966 (CHEMBL5125915)	Binding affinity to N-terminal hexa-histidine tagged BRDT-T (2 to 416 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells
50016352	7	ChEMBL_2212969 (CHEMBL5125918)	Inhibition of BRD4 in human MM1.S cells assessed as reduction in c-MYC level after 6 hrs by Western blot analysis
50016353	1	ChEMBL_2212976 (CHEMBL5125925)	Agonist activity at human KCNQ2 expressed in CHO cells assessed as increase in outward current at 50 mV by patch clamp electrophysiology method
50016353	2	ChEMBL_2212983 (CHEMBL5125932)	Agonist activity at human KCNQ5 channel expressed in CHO cells assessed as increase in outward current by patch clamp electrophysiology method
50016353	3	ChEMBL_2212984 (CHEMBL5125933)	Agonist activity at human KCNQ4 channel expressed in CHO cells assessed as increase in outward current by patch clamp electrophysiology method
50016354	1	ChEMBL_2213004 (CHEMBL5125953)	Inhibition of EGFR L858R mutant (unknown origin) using peptide substrate by FRET assay
50016356	1	ChEMBL_2213041 (CHEMBL5125990)	Inhibition of N-terminal 6XHis-tagged recombinant MKK7 (117 to 423 residues) (unknown origin) expressed in Escherichia coli BL21-DE3 preincubated for 2 hrs in presence of ATP measured after 17 hrs
50016356	2	ChEMBL_2213042 (CHEMBL5125991)	Inhibition of N-terminal 6XHis-tagged recombinant MKK7 (117 to 423 residues) in human U2OS assessed as reduction in c-Jun phosphorylation level incubated for 80 mins by Western blot analysis
50016357	1	ChEMBL_2213055 (CHEMBL5126004)	Inhibition of Mycobacterium tuberculosis PafA expressed in Escherichia coli BL-21(DE3) assessed as inhibition of pup-ylation using Mtb PanB substrate by SDS-PAGE analysis
50016357	2	ChEMBL_2213073 (CHEMBL5126022)	Activation of Corynebacterium glutamicum PafA expressed in Escherichia coli BL-21(DE3) assessed as pup-ylation using Mtb PanB substrate by SDS-PAGE analysis
50016357	3	ChEMBL_2213074 (CHEMBL5126023)	Activation of Corynebacterium glutamicum PafA expressed in Escherichia coli BL-21(DE3) assessed as pup-ylation using Mtb KasA substrate by SDS-PAGE analysis
50016358	1	ChEMBL_2213075 (CHEMBL5126024)	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant using fluorescein-labeled LRRKtide as substrate preincubated for 15 mins followed by substrate addition measured after 90 mins in presence of ATP by TR-FRET based LanthaScreen assay
50016359	1	ChEMBL_2213076 (CHEMBL5126025)	Inhibition of human DGAT2 expressed in sf9 insect cell membrane assessed as reduction in 13C18-triolein product formation using 13C oleoyl-CoA as substrate by LC-MS/MS analysis
50016362	1	ChEMBL_2213078 (CHEMBL5126027)	Antagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assay
50016363	1	ChEMBL_2213079 (CHEMBL5126028)	Inhibition of human TRPA1 overexpressed in human HEK293 cells assessed as reduction in AITC-induced calcium influx incubated for 10 mins by FLIPR assay
50016365	1	ChEMBL_2213080 (CHEMBL5126029)	Induction of ERalpha receptor degradation in human MCF7 cells incubated for 4 hrs by in-cell Western assay
50016366	1	ChEMBL_2213081 (CHEMBL5126030)	Inhibition of recombinant human alphavbeta6 integrin incubated for 2 hrs by microplate reader assay
50016368	1	ChEMBL_2213082 (CHEMBL5126031)	Agonist activity at human OX2R expressed in CHO cells incubated for 1 to 2 hrs by IP-one detection reagent based fluorescence assay
50016369	1	ChEMBL_2213086 (CHEMBL5126035)	Inhibition of human SHP1
50016369	2	ChEMBL_2213087 (CHEMBL5126036)	Inhibition of human CD45
50016369	3	ChEMBL_2213088 (CHEMBL5126037)	Inhibition of human PTP1B
50016369	4	ChEMBL_2213089 (CHEMBL5126038)	Inhibition of human TCPTP
50016369	5	ChEMBL_2213090 (CHEMBL5126039)	Inhibition of human LAR
50016370	1	ChEMBL_2213098 (CHEMBL5126047)	Agonist activity at human P2X1R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	2	ChEMBL_2213099 (CHEMBL5126048)	Agonist activity at human P2X2R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	3	ChEMBL_2213100 (CHEMBL5126049)	Agonist activity at human P2X3R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	4	ChEMBL_2213101 (CHEMBL5126050)	Agonist activity at human P2X2R/P2X3R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	5	ChEMBL_2213102 (CHEMBL5126051)	Agonist activity at human P2X4R expressing HEK293 cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	6	ChEMBL_2213103 (CHEMBL5126052)	Agonist activity at human P2X7R expressing HEK293 cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	7	ChEMBL_2213104 (CHEMBL5126053)	Agonist activity at human P2X7R expressed in HEK293 cells assessed as reduction in YO-PRO-1 iodide dye uptake preincubated for 30 mins followed by YO-PRO-1 iodide addition and measured after 2 hrs by fluorescence based multimode plate reader analysis
50016370	8	ChEMBL_2213105 (CHEMBL5126054)	Antagonist activity at human P2X1R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	9	ChEMBL_2213106 (CHEMBL5126055)	Antagonist activity at human P2X2R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	10	ChEMBL_2213107 (CHEMBL5126056)	Antagonist activity at human P2X3R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	11	ChEMBL_2213108 (CHEMBL5126057)	Antagonist activity at human P2X2R/P2X3R expressing CHO cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	12	ChEMBL_2213109 (CHEMBL5126058)	Antagonist activity at human P2X4R expressing HEK293 cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016370	13	ChEMBL_2213110 (CHEMBL5126059)	Antagonist activity at human P2X7R expressing HEK293 cells assessed as reduction in intracellular Ca2+ influx pretreated with Fluo-4 for 1 hr followed by compound addition and further incubated for 30 mins in presence of ATP by multimode plate reader analysis
50016375	1	ChEMBL_2213165 (CHEMBL5126114)	Binding affinity to human CDK12 (715 to 1052 residues)/CyclinK (1 to 267 residues) expressed in baculovirus infected in Sf9 cells by Biolayer interferometry
50016375	2	ChEMBL_2213166 (CHEMBL5126115)	Binding affinity to human CDK13 (694 to 1039 residues)/CyclinK (1 to 267 residues) expressed in baculovirus infected in Sf9 cells by Biolayer interferometry
50016376	1	ChEMBL_2213243 (CHEMBL5126192)	Antagonist activity at LPA1 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 secs by Fluo-4 NW dye based assay
50016376	2	ChEMBL_2213246 (CHEMBL5126195)	Antagonist activity at LPA2 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 secs by Fluo-4 NW dye based assay
50016376	3	ChEMBL_2213248 (CHEMBL5126197)	Antagonist activity at LPA3 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 secs by Fluo-4 NW dye based assay
50016376	4	ChEMBL_2213268 (CHEMBL5126217)	Binding affinity to LPA2 receptor (unknown origin) by free solution assay-compensated interferometric reader (FSA-CIR) technique
50016378	1	ChEMBL_2213322 (CHEMBL5126271)	Binding affinity to human RANKL assessed as dissociation constant by surface plasmon resonance method
50016379	1	ChEMBL_2213339 (CHEMBL5126288)	Inhibition of His-tagged recombinant human Gal-3 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by time resolved fluorescence based assay
50016379	2	ChEMBL_2213340 (CHEMBL5126289)	Inhibition of His-tagged recombinant mouse Gal-3 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by time resolved fluorescence based assay
50016379	3	ChEMBL_2213343 (CHEMBL5126292)	Inhibition of His-tagged recombinant human Gal-1 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by time resolved fluorescence based assay
50016379	4	ChEMBL_2213344 (CHEMBL5126293)	Inhibition of His-tagged recombinant human Gal-9 preincubated for 30 mins followed by B-ASF addition measured after 1 hr by time resolved fluorescence based assay
50016381	1	ChEMBL_2213457 (CHEMBL5126406)	Inhibition of GST-tagged human MLL1 (1147 to 1203 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	2	ChEMBL_2213460 (CHEMBL5126409)	Inhibition of GST-tagged human TET1 (583 to 633 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	3	ChEMBL_2213461 (CHEMBL5126410)	Inhibition of GST-tagged human TET3 (49 to 68 residues) expressed in Escherichia coli BL21 cell incubated for 30 mins by fluorescence polarization assay
50016381	4	ChEMBL_2213462 (CHEMBL5126411)	Inhibition of GST-tagged human KDM2A (562 to 618 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	5	ChEMBL_2213463 (CHEMBL5126412)	Inhibition of GST-tagged human KDM2B (604 to 660 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	6	ChEMBL_2213464 (CHEMBL5126413)	Inhibition of GST-tagged human IDAX (130 to 181 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	7	ChEMBL_2213465 (CHEMBL5126414)	Inhibition of GST-tagged human FBXL19 (31 to 86 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016381	8	ChEMBL_2213466 (CHEMBL5126415)	Inhibition of GST-tagged human CXXC5 (255 to 305 residues) expressed in Escherichia coli BL21 cells incubated for 30 mins by fluorescence polarization assay
50016383	1	ChEMBL_2213471 (CHEMBL5126420)	Agonist activity at human human NOD2 expressed in HEK-Blue NOD2 reporter cells by colorimetry based SEAP assay
50016384	1	ChEMBL_2213528 (CHEMBL5126477)	Binding affinity at His tagged human IL-17A expressed in Escherichia coli BL21-(DE3) assessed as dissociation constant incubated for 30 mins by MST analysis
50016386	1	ChEMBL_2213533 (CHEMBL5126482)	Agonist activity at human OX2R expressed in CHO cells
50016389	1	ChEMBL_2213537 (CHEMBL5126486)	Inhibition of recombinant SARS-CoV-2 main protease usingDABCYLKTSAVLQSGFRKME(EDANS)-NH2 fluorogenic peptide substrate by FRET assay
50016390	1	ChEMBL_2213539 (CHEMBL5126488)	Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reduction in IL-1 beta induced inflammation by luciferase reporter gene assay
50016390	2	ChEMBL_2213543 (CHEMBL5126492)	Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induction of receptor transactivation by luciferase reporter gene assay
50016391	1	ChEMBL_2213556 (CHEMBL5126688)	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50016391	2	ChEMBL_2213563 (CHEMBL5126695)	Inhibition of human cathepsin L
50016391	3	ChEMBL_2213565 (CHEMBL5126697)	Inhibition of human cathepsin B
50016391	4	ChEMBL_2213567 (CHEMBL5126699)	Inhibition of human cathepsin S
50016393	1	ChEMBL_2213576 (CHEMBL5126708)	Competitive inhibition of p300 HAT domain (unknown origin) using varying concentrations of acetyl-CoA and constant concentration of H4-15 as substrates preincubated for 10 mins followed by substrate addition and measured after 10 mins
50016393	2	ChEMBL_2213578 (CHEMBL5126710)	Inhibition of heat inactivated recombinant human HDAC6 expressed in HEK293T cells assessed as inhibition of tau protein deacetylation incubated for 16 hrs by immunoblot analysis
50016393	3	ChEMBL_2213579 (CHEMBL5126711)	Inhibition of recombinant polyhistidine-tagged human tau40 aggregation assessed as reduction in filament formation by measuring total filament length incubated for 3 hrs in presence of arachidonic acid by transmission electron microscopic analysis
50016393	4	ChEMBL_2213589 (CHEMBL5126721)	Inhibition of C-terminal His-tagged recombinant human BACE-1 expressed in mouse NSO cells using methoxy coumarin Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys-dinitrophenyl as substrate preincubated for 1 hr followed by substrate addition and measured after 15 mins by fluorescence based analysis
50016393	5	ChEMBL_2213590 (CHEMBL5126722)	Inhibition of human recombinant GSK3beta using prephosphorylated polypeptide GSM as substrate incubated for 30 mins in presence of ATP by Kinase-Glo Luminescent Kinase Assay
50016394	1	ChEMBL_2213593 (CHEMBL5126725)	Inhibition of PARP1 (unknown origin) using NAD+ as substrate incubated for 30 mins by fluorescence based assay
50016394	2	ChEMBL_2213595 (CHEMBL5126727)	Inhibition of PARP1 (unknown origin) incubated for 1 hr by colorimetry
50016394	3	ChEMBL_2213596 (CHEMBL5126728)	Inhibition of human recombinant PARP1 by ELISA
50016394	4	ChEMBL_2213597 (CHEMBL5126729)	Inhibition of human recombinant PARP2 by ELISA
50016394	5	ChEMBL_2213599 (CHEMBL5126731)	Inhibition of HDAC1 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate
50016394	6	ChEMBL_2213600 (CHEMBL5126732)	Inhibition of HDAC2 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate
50016394	7	ChEMBL_2213601 (CHEMBL5126733)	Inhibition of HDAC8 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC as substrate
50016394	8	ChEMBL_2213603 (CHEMBL5126735)	Inhibition of human recombinant HDAC8 using BML-KI178-0005 as substrate incubated for 10 mins by fluorescence based assay
50016394	9	ChEMBL_2213604 (CHEMBL5126736)	Binding affinity to CDK6/Cyclin D3 (unknown origin) assessed as inhibition constant by radiometric assay
50016394	10	ChEMBL_2213605 (CHEMBL5126737)	Inhibition of PLK1-PBD (unknown origin) using FITC-GPMQSpTPLNG-OH as substrate incubated for 30 mins by fluorescence polarization assay
50016394	11	ChEMBL_2213606 (CHEMBL5126738)	Inhibition of BRD4 BD1 (unknown origin)
50016394	12	ChEMBL_2213607 (CHEMBL5126739)	Inhibition of BRD4 BD2 (unknown origin)
50016395	1	ChEMBL_2213608 (CHEMBL5126740)	Inhibition of ovine COX-1 assessed as PGE2alpha production using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50016396	1	ChEMBL_2213689 (CHEMBL5126821)	Antagonist activity at adenosine A1 receptor (unknown origin)
50016396	2	ChEMBL_2213690 (CHEMBL5126822)	Antagonist activity at adenosine A2A receptor (unknown origin)
50016396	3	ChEMBL_2213691 (CHEMBL5126823)	Antagonist activity at adenosine A2B receptor (unknown origin)
50016396	4	ChEMBL_2213692 (CHEMBL5126824)	Antagonist activity at adenosine A3 receptor (unknown origin)
50016396	5	ChEMBL_2213693 (CHEMBL5126825)	Binding affinity to human adenosine A2A receptor measured by radioligand-based affinity assay
50016396	6	ChEMBL_2213695 (CHEMBL5126827)	Inverse agonist activity at human A2A receptor assessed as inhibition of cAMP accumulation
50016396	7	ChEMBL_2213699 (CHEMBL5126831)	Binding affinity to human adenosine A1 receptor
50016396	8	ChEMBL_2213700 (CHEMBL5126832)	Binding affinity to human adenosine A2A receptor
50016396	9	ChEMBL_2213702 (CHEMBL5126834)	Inverse agonist activity at human A2A receptor assessed as inhibition of basal cAMP level
50016396	10	ChEMBL_2213704 (CHEMBL5126836)	Inverse agonist activity at human A2A receptor assessed as inhibition of selective agonist-induced cAMP production
50016396	11	ChEMBL_2213705 (CHEMBL5126837)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor transfected in CHO cell membranes incubated for 60 mins and measured by by scintillation counting assay
50016396	12	ChEMBL_2213706 (CHEMBL5126838)	Inverse agonist activity at human adenosine A2A receptor transfected in CHO cell membranes and measured by AlphaScreencAMP assay
50016396	13	ChEMBL_2213711 (CHEMBL5126843)	Antagonist activity at human adenosine A1A receptor
50016396	14	ChEMBL_2213712 (CHEMBL5126844)	Antagonist activity at human adenosine A2A receptor
50016396	15	ChEMBL_2213713 (CHEMBL5126845)	Binding affinity to human adenosine A3A receptor measured by radioligand-based affinity assay
50016396	16	ChEMBL_2213714 (CHEMBL5126846)	Binding affinity to human adenosine A3A receptor
50016396	17	ChEMBL_2213718 (CHEMBL5126850)	Binding affinity to human adenosine A1A receptor expressed in CHO cells measured by radioligand binding assay
50016396	18	ChEMBL_2213719 (CHEMBL5126851)	Binding affinity to human adenosine A2A receptor expressed in CHO cells measured by radioligand binding assay
50016396	19	ChEMBL_2213720 (CHEMBL5126852)	Binding affinity to human adenosine A3A receptor expressed in CHO cells measured by radioligand binding assay
50016396	20	ChEMBL_2213721 (CHEMBL5126853)	Binding affinity to human adenosine A1A receptor measured by radioligand-based affinity assay
50016396	21	ChEMBL_2213722 (CHEMBL5126854)	Antagonist activity at human adenosine A3A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation
50016396	22	ChEMBL_2213723 (CHEMBL5126855)	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells incubated for 120 mins and measured by by scintillation counting assay
50016396	23	ChEMBL_2213724 (CHEMBL5126856)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins and measured by by scintillation counting assay
50016396	24	ChEMBL_2213725 (CHEMBL5126857)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production measured by scintillation counter assay
50016396	25	ChEMBL_2213727 (CHEMBL5126859)	Antagonist activity at human adenosine A2B receptor
50016396	26	ChEMBL_2213728 (CHEMBL5126860)	Binding affinity to human adenosine A2B receptor
50016396	27	ChEMBL_2213730 (CHEMBL5126862)	Binding affinity to human adenosine A2A receptor expressed in HEK293 cells measured by radioligand based assay
50016396	28	ChEMBL_2213731 (CHEMBL5126863)	Antagonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production
50016396	29	ChEMBL_2213732 (CHEMBL5126864)	Binding affinity to recombinant human adenosine A2A receptor expressed in HEK293 cells
50016396	30	ChEMBL_2213733 (CHEMBL5126865)	Antagonist activity at recombinant human adenosine A2A receptor expressed in HEK293 cells measured by cAMP functional assay
50016396	31	ChEMBL_2213736 (CHEMBL5126868)	Inhibition of MAO-B (unknown origin)
50016396	32	ChEMBL_2213737 (CHEMBL5126869)	Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of cAMP production
50016396	33	ChEMBL_2213739 (CHEMBL5126871)	Antagonist activity at human adenosine A2B receptor expressed in mouse NIH/3T3 cells assessed as inhibition of NECA-induced IL-6 release
50016396	34	ChEMBL_2213742 (CHEMBL5126874)	Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells measured by radioligand competition assay
50016396	35	ChEMBL_2213743 (CHEMBL5126875)	Displacement of [3H]CCPA from human adenosine A1A receptor expressed in CHO cells measured by radioligand competition assay
50016396	36	ChEMBL_2213744 (CHEMBL5126876)	Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells measured by radioligand competition assay
50016396	37	ChEMBL_2213745 (CHEMBL5126877)	Antagonist activity at human adenosine A3A receptor
50016396	38	ChEMBL_2213746 (CHEMBL5126878)	Binding affinity to human adenosine A2A receptor expressed in HEK293T cells measured by radioligand binding assay
50016396	39	ChEMBL_2213748 (CHEMBL5126880)	Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells measured by scintillation counting assay
50016396	40	ChEMBL_2213749 (CHEMBL5126881)	Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as cAMP level measured by enzyme immunoassay
50016396	41	ChEMBL_2213755 (CHEMBL5126887)	Displacement of [3H]ZM-241385 from human adenosine A2A receptor incubated for 60 mins and measured by by scintillation counting assay
50016396	42	ChEMBL_2213756 (CHEMBL5126888)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells and measured by [35S]-GTPS binding assay
50016396	43	ChEMBL_2213759 (CHEMBL5126891)	Displacement of [3H]-ZM241385 from human adenosine A2A receptor measured by competitive radioligand binding assay
50016396	44	ChEMBL_2213761 (CHEMBL5126893)	Antagonist activity at human adenosine A1A receptor expressed in CHO cells and measured by AlphaScreencAMP assay
50016396	45	ChEMBL_2213762 (CHEMBL5126894)	Antagonist activity at human adenosine A2A receptor expressed in HEK293 cells and measured by AlphaScreencAMP assay
50016398	1	ChEMBL_2213818 (CHEMBL5126950)	Inhibition of human PON1 using paraoxon as a substrate by regression analysis
50016398	2	ChEMBL_2213819 (CHEMBL5126951)	Inhibition of human carbonic anhydrase-1 by stopped flow CO2 hydrase assay
50016398	3	ChEMBL_2213820 (CHEMBL5126952)	Inhibition of human carbonic anhydrase-2 by stopped flow CO2 hydrase assay
50016399	1	ChEMBL_2213823 (CHEMBL5126955)	Displacement of [3H]2MeSADP from human P2Y1 expressed in U2OS cell membranes incubated for 60 mins by scintillation counting method
50016399	2	ChEMBL_2213824 (CHEMBL5126956)	Displacement of [3H]2MeSADP from human P2Y12 expressed in U2OS cell membranes incubated for 60 mins by scintillation counting method
50016399	3	ChEMBL_2213830 (CHEMBL5126962)	Displacement of [3H]2MeSADP from P2Y12 (unknown origin)
50016399	4	ChEMBL_2213831 (CHEMBL5126963)	Binding affinity to P2Y12 (unknown origin)
50016399	5	ChEMBL_2213841 (CHEMBL5126973)	Displacement of [33P]2MeSADP from human P2Y12 expressed in CHO cell membranes preincubated for 15 mins followed by [33P]2MeSADP addition and measured after 20 mins by microbeta scintillation counting method
50016399	6	ChEMBL_2213851 (CHEMBL5126983)	Displacement of tritium-labeled 2MeSADP from human P2Y12 expressed in CHO cells measured after 2 hrs by scintillation counting method
50016399	7	ChEMBL_2213852 (CHEMBL5126984)	Displacement of 2-MeS[3H]-ADP from P2Y12 (unknown origin) expressed in HEK293 cells preincubated for 5 mins followed by 2-MeS[3H]-ADP addition and measured after 30 mins by Topcount beta counter analysis
50016399	8	ChEMBL_2213855 (CHEMBL5126987)	Inhibition of 2-MeS-ADP induced P2Y12 (unknown origin) signalling expressed in CHO cells membrane incubated for 45 mins by 35S-GTPgammaS assay
50016399	9	ChEMBL_2213857 (CHEMBL5126989)	Binding affinity to human P2Y12 expressed in astrocytoma cells
50016399	10	ChEMBL_2213863 (CHEMBL5126995)	Displacement of [3H]2MeSADP from human P2Y12 preincubated for 5 mins followed by [3H]2MeSADP addition and measured after 15 mins by scintillation counting method
50016400	1	ChEMBL_2213867 (CHEMBL5126999)	Inhibition of recombinant human BACE1 using fluorogenic 7-methoxycoumarin-4-yl)acetyl-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-ArgLys(2, 4-dinitrophenyl)-Arg-Arg-NH2 as substrate measured every 5 mins for 120 mins by CFA
50016400	2	ChEMBL_2213869 (CHEMBL5127001)	Inhibition of AChE (unknown origin) incubated for 20 mins by TLC analysis
50016400	3	ChEMBL_2213870 (CHEMBL5127002)	Inhibition of electric eel AChE incubated measured after 25 mins by spectrophotometric analysis
50016400	4	ChEMBL_2213871 (CHEMBL5127003)	Inhibition of equine serum BuChE incubated measured after 25 mins by spectrophotometric analysis
50016400	5	ChEMBL_2213872 (CHEMBL5127004)	Inhibition of electric eel AChE incubated for 25 mins by Ellman's method
50016400	6	ChEMBL_2213873 (CHEMBL5127005)	Inhibition of electric eel AChE using acetylcholine chloride as substrate incubated measured after 15 mins by spectrophotometric analysis
50016400	7	ChEMBL_2213874 (CHEMBL5127006)	Inhibition of electric eel AChE using acetylthiocholine incubated for 30 mins by measuring hydrolysis of substrate by Ellman's method
50016400	8	ChEMBL_2213876 (CHEMBL5127008)	Inhibition of PDE4 (unknown origin)
50016400	9	ChEMBL_2213877 (CHEMBL5127009)	Inhibition of BACE1 (unknown origin) incubated in dark for 90 mins by FRET assay
50016400	10	ChEMBL_2213879 (CHEMBL5127011)	Inhibition of AChE (unknown origin) by Ellman's method
50016400	11	ChEMBL_2213880 (CHEMBL5127012)	Inhibition of BuChE (unknown origin) by Ellman's method
50016400	12	ChEMBL_2213881 (CHEMBL5127013)	Inhibition of MAO-B (unknown origin)
50016400	13	ChEMBL_2213882 (CHEMBL5127014)	Inhibition of recombinant human BACE1 in human SH-SY5Y cells using fluorogenic 7-methoxycoumarin-4-yl)acetyl-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-ArgLys(2, 4-dinitrophenyl)-Arg-Arg-NH2 as substrate measured every 5 mins for 120 mins by WCA
50016400	14	ChEMBL_2213884 (CHEMBL5127016)	Inhibition of amyloid beta 1 to 42 aggregation in human SH-SY5Y cells
50016400	15	ChEMBL_2213885 (CHEMBL5127017)	Inhibition of amyloid beta 1 to 40 aggregation in human SH-SY5Y cells
50016400	16	ChEMBL_2213886 (CHEMBL5127018)	Inhibition of hERG
50016400	17	ChEMBL_2213887 (CHEMBL5127019)	Inhibition of CK1delta/epsilon (unknown origin)
50016400	18	ChEMBL_2213888 (CHEMBL5127020)	Inhibition of DYRK1A (unknown origin)
50016400	19	ChEMBL_2213891 (CHEMBL5127023)	Inhibition of CLK1 (unknown origin)
50016400	20	ChEMBL_2213893 (CHEMBL5127025)	Inhibition of CDK1 (unknown origin)
50016400	21	ChEMBL_2213894 (CHEMBL5127026)	Inhibition of CDK5 (unknown origin)
50016400	22	ChEMBL_2213895 (CHEMBL5127027)	Inhibition of GSK3alpha/beta (unknown origin)
50016400	23	ChEMBL_2213896 (CHEMBL5127028)	Inhibition of DYRK1B (unknown origin)
50016400	24	ChEMBL_2213897 (CHEMBL5127029)	Inhibition of DYRK2 (unknown origin)
50016400	25	ChEMBL_2213898 (CHEMBL5127030)	Inhibition of DYRK3 (unknown origin)
50016400	26	ChEMBL_2213899 (CHEMBL5127031)	Inhibition of CDK2 (unknown origin)
50016400	27	ChEMBL_2213900 (CHEMBL5127032)	Inhibition of CDK3 (unknown origin)
50016400	28	ChEMBL_2213901 (CHEMBL5127033)	Inhibition of CDK4 (unknown origin)
50016400	29	ChEMBL_2213902 (CHEMBL5127034)	Inhibition of GSK3alpha (unknown origin)
50016400	30	ChEMBL_2213903 (CHEMBL5127035)	Inhibition of GSK3beta (unknown origin)
50016400	31	ChEMBL_2213904 (CHEMBL5127036)	Inhibition of AChE (unknown origin)
50016400	32	ChEMBL_2213905 (CHEMBL5127037)	Inhibition of BuChE (unknown origin)
50016400	33	ChEMBL_2213907 (CHEMBL5127039)	Inhibition of human AChE
50016400	34	ChEMBL_2213908 (CHEMBL5127040)	Inhibition of electric eel AChE
50016400	35	ChEMBL_2213909 (CHEMBL5127041)	Inhibition of equine serum BuChE
50016400	36	ChEMBL_2213913 (CHEMBL5127045)	Inhibition of MAO-A (unknown origin)
50016400	37	ChEMBL_2213916 (CHEMBL5127048)	Inhibition of PDE7A (unknown origin)
50016400	38	ChEMBL_2213917 (CHEMBL5127049)	Inhibition of PDE4D2 (unknown origin)
50016400	39	ChEMBL_2213919 (CHEMBL5127051)	Inhibition of amyloid beta 1 to 42 (unknown origin) at 10 uM relative to control
50016401	1	ChEMBL_2213920 (CHEMBL5127052)	Inhibition of wild type EGFR (unknown origin) incubated for 40 mins by Kinase-Glo Plus luminescence kinase assay
50016401	2	ChEMBL_2213921 (CHEMBL5127053)	Inhibition of N-terminal GST-tagged recombinant human EGFR (669 to 1210 residues) L858R/T790M double mutant expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by caliper mobility shift assay
50016401	3	ChEMBL_2213922 (CHEMBL5127054)	Inhibition of N-terminal GST-tagged recombinant wild type human EGFR (669 to 1210 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by caliper mobility shift assay
50016401	4	ChEMBL_2213923 (CHEMBL5127055)	Inhibition of N-terminal GST-tagged recombinant wild type human FGFR1 (398 to 822 residues) expressed in baculovirus infected Sf21 cells incubated for 1 hr in presence of ATP by caliper mobility shift assay
50016401	5	ChEMBL_2213925 (CHEMBL5127057)	Inhibition of human ATX
50016401	6	ChEMBL_2213926 (CHEMBL5127058)	Inhibition of EGFR (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated for 45 mins in presence of ATP by ADP-Glo Kinase assay
50016401	7	ChEMBL_2213927 (CHEMBL5127059)	Inhibition of AURKA (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated for 45 mins in presence of ATP by ADP-Glo Kinase assay
50016401	8	ChEMBL_2213928 (CHEMBL5127060)	Inhibition of human EGFR expressed in baculovirus expression system using CAGAGAIETDKEYYTVKD as substrate preincubated for 10 mins followed by substrate and ATP addition measured after 1 hr by TR-FRET assay
50016401	9	ChEMBL_2213929 (CHEMBL5127061)	Inhibition of human EGFR T790M mutant expressed in baculovirus expression system using CAGAGAIETDKEYYTVKD as substrate preincubated for 10 mins followed by substrate and ATP addition measured after 1 hr by TR-FRET assay
50016401	10	ChEMBL_2213930 (CHEMBL5127062)	Inhibition of human IGF1R expressed in baculovirus expression system using poly GT peptide as substrate preincubated for 10 mins followed by substrate and ATP addition measured after 1 hr by TR-FRET assay
50016401	11	ChEMBL_2213931 (CHEMBL5127063)	Inhibition of GST-tagged EGFR (unknown origin) assessed as phosphorylation level using biotinylated peptide as substrate in presence of ATP by HTScan EGFR kinase assay
50016401	12	ChEMBL_2213935 (CHEMBL5127067)	Inhibition of EGFR T790M mutant (unknown origin) incubated for 40 mins by Kinase-Glo Plus luminescence kinase assay
50016401	13	ChEMBL_2213936 (CHEMBL5127068)	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by microplate reader analysis
50016401	14	ChEMBL_2213942 (CHEMBL5127074)	Binding affinity to GST-tagged human recombinant EGFR expressed in baculovirus infected Sf9 insect cells assessed as inhibition constant using poly(Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of [gamma33P]ATP by microplate scintillation counter analysis
50016401	15	ChEMBL_2213943 (CHEMBL5127075)	Binding affinity to GST-tagged human recombinant PDFGR beta expressed in baculovirus infected Sf9 insect cells assessed as inhibition constant using poly(Ala,Glu,Lys,Tyr) 6:2:5.1 as substrate incubated for 60 mins in presence of [gamma33P]ATP by microplate scintillation counter analysis
50016401	16	ChEMBL_2213944 (CHEMBL5127076)	Inhibition of EGFR T790M mutant (unknown origin) incubated for 1 hr by Z-lyte kinase assay
50016401	17	ChEMBL_2213945 (CHEMBL5127077)	Inhibition of c-MET (unknown origin) incubated for 1 hr by Z-lyte kinase assay
50016401	18	ChEMBL_2213946 (CHEMBL5127078)	Inhibition of EGFR (unknown origin)
50016401	19	ChEMBL_2213947 (CHEMBL5127079)	Inhibition of VEGFR2 (unknown origin)
50016401	20	ChEMBL_2213950 (CHEMBL5127082)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assay
50016401	21	ChEMBL_2213951 (CHEMBL5127083)	Inhibition of VEGFR-2 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assay
50016401	22	ChEMBL_2213955 (CHEMBL5127087)	Inhibition of EGFR (unknown origin) incubated for 30 mins in presence of ATP by fluorescence based analysis
50016401	23	ChEMBL_2213956 (CHEMBL5127088)	Inhibition of HER2 (unknown origin) preincubated for 5 mins followed by substrate peptide and ATP addition measured after 30 mins by horseradish peroxidase based microtitre plate reader analysis
50016401	24	ChEMBL_2213957 (CHEMBL5127089)	Inhibition of IGF1R (unknown origin)
50016401	25	ChEMBL_2213959 (CHEMBL5127091)	Inhibition of EGFR (unknown origin) by ADP-Glo kinase assay
50016401	26	ChEMBL_2213960 (CHEMBL5127092)	Inhibition of CSK (unknown origin) by ADP-Glo kinase assay
50016401	27	ChEMBL_2213961 (CHEMBL5127093)	Inhibition of EGFR T790M mutant (unknown origin)
50016401	28	ChEMBL_2213962 (CHEMBL5127094)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50016402	1	ChEMBL_2213963 (CHEMBL5127095)	Inhibition of UCHL3 (unknown origin) using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50016402	2	ChEMBL_2213964 (CHEMBL5127096)	Inhibition of UCHL3 (unknown origin) incubated for 20 mins by fluorescence assay
50016402	3	ChEMBL_2213965 (CHEMBL5127097)	Inhibition of UCHL3 (unknown origin) using ubiquitin-AMC as substrate by fluorescence assay
50016402	4	ChEMBL_2213966 (CHEMBL5127098)	Inhibition of recombinant human UCHL3 expressed in baculovirus infected Sf9 cells using ubiquitin-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence spectrophotometric assay
50016402	5	ChEMBL_2213967 (CHEMBL5127099)	Inhibition of UCHL1 (unknown origin)
50016402	6	ChEMBL_2213968 (CHEMBL5127100)	Inhibition of UCHL1 (unknown origin) using Ub-Rho-morpholine as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50016402	7	ChEMBL_2213969 (CHEMBL5127101)	Inhibition of UCHL1 (unknown origin) using Ub-Rho as substrate preincubated for 30 mins followed by substrate addition
50016402	8	ChEMBL_2213970 (CHEMBL5127102)	Inhibition of UCHL1 (unknown origin) using Ub-Lys-TAMRA as substrate preincubated for 30 mins followed by substrate addition by fluorescence polarization assay
50016402	9	ChEMBL_2213971 (CHEMBL5127103)	Inhibition of UCHL3 (unknown origin)
50016402	10	ChEMBL_2213972 (CHEMBL5127104)	Inhibition of UCHL3 (unknown origin) assessed as reduction in RAD51 deubiquitination incubated for 4 hrs
50016403	1	ChEMBL_2213974 (CHEMBL5127106)	Agonist activity at 6His-tagged human RORC LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of N-terminal biotinylated SRC1-4 derived QKPTSGPQTPQAQQKSLLQQLLTE coactivator peptide by luminescence based AlphaScreen analysis
50016403	2	ChEMBL_2213976 (CHEMBL5127108)	Inverse agonist activity at 6His-tagged human RORC LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of N-terminal biotinylated SRC1-4 derived QKPTSGPQTPQAQQKSLLQQLLTE coactivator peptide by luminescence based AlphaScreen analysis
50016403	3	ChEMBL_2213978 (CHEMBL5127110)	Inverse agonist activity at 6His-tagged human RORC LBD (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins at 30 degreeC to 80 degreeC by SYPRO Orange staining based thermal shift assay
50016403	4	ChEMBL_2213980 (CHEMBL5127112)	Inverse agonist activity at full length RORC expressed in HEK293T cells co-transfected with Pcp2/RORE-Luc reporter incubated for 24 hrs by dual-luciferase reporter assay
50016403	5	ChEMBL_2213981 (CHEMBL5127113)	Inverse agonist activity at RORgammat expressed in Jurkat cells co-transfected with luciferase reporter vector expressing human IL-17 ROR response element incubated for 24 hrs by Bright-Glo luminescence assay
50016403	6	ChEMBL_2213982 (CHEMBL5127114)	Inhibition of GAL4 DNA-binding domain fused full length human RORgammat (1 to 497 residues) expressed in HEK293T cells incubated for 16 to 20 hrs by one hybrid reporter assay
50016403	7	ChEMBL_2213983 (CHEMBL5127115)	Inhibition of GAL4 DNA-binding domain fused full length human RORalpha (305 to 556 residues) expressed in HEK293T cells incubated for 16 to 20 hrs by one hybrid reporter assay
50016403	8	ChEMBL_2213984 (CHEMBL5127116)	Inhibition of GAL4 DNA-binding domain fused full length human RORbeta (201 to 459 residues) expressed in HEK293T cells incubated for 16 to 20 hrs by one hybrid reporter assay
50016403	9	ChEMBL_2213985 (CHEMBL5127117)	Inhibition of ROR gamma (unknown origin) by scintillation proximity assay
50016403	10	ChEMBL_2213986 (CHEMBL5127118)	Inhibition of ROR gamma (unknown origin) by FRET analysis
50016403	11	ChEMBL_2213987 (CHEMBL5127119)	Inverse agonist activity at ROR gamma (unknown origin) by scintillation proximity assay
50016403	12	ChEMBL_2213988 (CHEMBL5127120)	Agonist activity at ROR gamma (unknown origin) by scintillation proximity assay
50016403	13	ChEMBL_2213989 (CHEMBL5127121)	Inverse agonist activity at ROR gamma (unknown origin) by FRET analysis
50016403	14	ChEMBL_2213991 (CHEMBL5127123)	Inverse agonist activity at recombinant 6His-tagged human RORgamma LBD (264 to 518 residues) assessed as inhibition of biotinylated RIP140 co-activator peptide incubated for 1 hr by FRET assay
50016403	15	ChEMBL_2213992 (CHEMBL5127124)	Inverse agonist activity at recombinant Gal4-fused human RORgammat LBD expressed in Jurkat cells assessed as luciferase activity measured after 24 hrs by luciferase reporter gene assay
50016403	16	ChEMBL_2213997 (CHEMBL5127129)	Inhibition of RORC LBD (unknown origin)
50016403	17	ChEMBL_2213998 (CHEMBL5127130)	Inverse agonist activity at RORC (unknown origin)
50016403	18	ChEMBL_2213999 (CHEMBL5127131)	Inverse agonist activity at human PPARgamma
50016408	1	ChEMBL_2214053 (CHEMBL5127185)	Inhibition of urokinase plasminogen activator in human MCF7 cells measured after 24 hrs by ELISA method
50016410	1	ChEMBL_2214122 (CHEMBL5127254)	Inhibition of BTK (unknown origin)
50016410	2	ChEMBL_2214123 (CHEMBL5127255)	Inhibition of TEC (unknown origin)
50016410	3	ChEMBL_2214124 (CHEMBL5127256)	Inhibition of ITK (unknown origin)
50016410	4	ChEMBL_2214125 (CHEMBL5127257)	Inhibition of TXK (unknown origin)
50016410	5	ChEMBL_2214126 (CHEMBL5127258)	Inhibition of BMX (unknown origin)
50016410	6	ChEMBL_2214127 (CHEMBL5127259)	Inhibition of EGFR (unknown origin)
50016410	7	ChEMBL_2214128 (CHEMBL5127260)	Inhibition of ERBB2 (unknown origin)
50016410	8	ChEMBL_2214129 (CHEMBL5127261)	Inhibition of ERBB4 (unknown origin)
50016410	9	ChEMBL_2214130 (CHEMBL5127262)	Inhibition of BLK (unknown origin)
50016410	10	ChEMBL_2214131 (CHEMBL5127263)	Inhibition of JAK3 (unknown origin)
50016410	11	ChEMBL_2214132 (CHEMBL5127264)	Inhibition of full-length wild-type BTK (unknown origin)
50016410	12	ChEMBL_2214133 (CHEMBL5127265)	Inhibition of BTK C481S mutant (unknown origin)
50016410	13	ChEMBL_2214134 (CHEMBL5127266)	Inhibition of recombinant human BTK measured by FRET assay
50016410	14	ChEMBL_2214135 (CHEMBL5127267)	Inhibition of human BTK C481S mutant measured by FRET assay
50016410	15	ChEMBL_2214136 (CHEMBL5127268)	Inhibition of full-length wild-type BTK (unknown origin) measured by HTRF assay
50016410	16	ChEMBL_2214137 (CHEMBL5127269)	Inhibition of BTK C481S mutant (unknown origin) measured by HTRF assay
50016411	1	ChEMBL_2214142 (CHEMBL5127274)	Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence assay
50016411	2	ChEMBL_2214143 (CHEMBL5127275)	Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence assay
50016411	3	ChEMBL_2214144 (CHEMBL5127276)	Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence assay
50016411	4	ChEMBL_2214145 (CHEMBL5127277)	Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus expression system using L-alpha-phosphatidylinositol as substrate by luminescence assay
50016411	5	ChEMBL_2214146 (CHEMBL5127278)	Inhibition of mTOR (unknown origin)
50016411	6	ChEMBL_2214151 (CHEMBL5127283)	Inhibition of mTORC2 (unknown origin)
50016411	7	ChEMBL_2214153 (CHEMBL5127285)	Inhibition of full-length PI3Kalpha (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay
50016411	8	ChEMBL_2214154 (CHEMBL5127286)	Inhibition of full-length PI3Kbeta (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay
50016411	9	ChEMBL_2214155 (CHEMBL5127287)	Inhibition of full-length PI3Kdelta (unknown origin) expressed in baculovirus infected Sf9 cells by ADP-Glo luminescent kinase assay
50016411	10	ChEMBL_2214156 (CHEMBL5127288)	Inhibition of full-length HDAC1 (unknown origin) by Color-de-Lys assay
50016411	11	ChEMBL_2214157 (CHEMBL5127289)	Inhibition of full-length HDAC2 (unknown origin) by Color-de-Lys assay
50016411	12	ChEMBL_2214158 (CHEMBL5127290)	Inhibition of full-length HDAC3 (unknown origin) by Color-de-Lys assay
50016411	13	ChEMBL_2214159 (CHEMBL5127291)	Inhibition of full-length HDAC10 (unknown origin) by Color-de-Lys assay
50016411	14	ChEMBL_2214160 (CHEMBL5127292)	Inhibition of full-length HDAC6 (unknown origin) by Color-de-Lys assay
50016411	15	ChEMBL_2214161 (CHEMBL5127293)	Inhibition of PI3Kalpha (unknown origin)
50016411	16	ChEMBL_2214162 (CHEMBL5127294)	Inhibition of PI3Kdelta (unknown origin)
50016411	17	ChEMBL_2214163 (CHEMBL5127295)	Inhibition of PI3Kgamma (unknown origin)
50016411	18	ChEMBL_2214164 (CHEMBL5127296)	Inhibition of HDAC6 (unknown origin)
50016411	19	ChEMBL_2214165 (CHEMBL5127297)	Inhibition of MEK1 (unknown origin)
50016412	1	ChEMBL_2214170 (CHEMBL5127302)	Inhibition of thrombin in human plasma
50016412	2	ChEMBL_2214176 (CHEMBL5127308)	Inhibition of thrombin in human blood using fluorogenic Ac-FVR-AMC as substrate by chromogenic assay
50016412	3	ChEMBL_2214177 (CHEMBL5127309)	Inhibition of thrombin in human blood using fluorogenic Ac-FVR-AMC as substrate incubated for 10 mins by fluorescence based microplate reader method
50016412	4	ChEMBL_2214180 (CHEMBL5127312)	Inhibition of mouse FXa
50016412	5	ChEMBL_2214181 (CHEMBL5127313)	Inhibition of human FXa using chromogenic substrate
50016412	6	ChEMBL_2214182 (CHEMBL5127314)	Binding affinity to FXa (unknown origin)
50016412	7	ChEMBL_2214183 (CHEMBL5127315)	Inhibition of tissue factor VIIa complex (unknown origin)
50016412	8	ChEMBL_2214184 (CHEMBL5127316)	Inhibition of factor XIIa (unknown origin)
50016412	9	ChEMBL_2214189 (CHEMBL5127321)	Inhibition of P2X1 receptor (unknown origin)
50016412	10	ChEMBL_2214190 (CHEMBL5127322)	Inhibition of P2X3 receptor (unknown origin)
50016412	11	ChEMBL_2214191 (CHEMBL5127323)	Antagonist activity at P2Y1 receptor (unknown origin)
50016415	1	ChEMBL_2214208 (CHEMBL5127340)	Inhibition of PAK1 (unknown origin)
50016415	2	ChEMBL_2214209 (CHEMBL5127341)	Inhibition of recombinant human PKCzeta using biotin-KKKKRFSFKKSFKC as substrate measured by TR-FRET assay
50016415	3	ChEMBL_2214210 (CHEMBL5127342)	Inhibition of recombinant human ALK (1058 to 1620 residues) expressed in baculovirus expression system using poly-(GT)-biotin as substrate preincubated for 10 mins followed by addition of substrate and ATP for 60 mins by HTRF assay
50016415	4	ChEMBL_2214211 (CHEMBL5127343)	Inhibition of N-terminal GST-tagged human JAK1 (850 to 1154 residues) expressed in baculovirus expression system using TK-substrate-biotin as substrate incubated for 40 mins and measured by HTRF assay
50016415	5	ChEMBL_2214212 (CHEMBL5127344)	Inhibition of JAK1 in human STAT6-bla RA-1 cells assessed as reduction in IL-4 induced STAT6 phosphorylation preincubated for 1 hr followed by IL-4 addition and measured after 4 hrs by FRET assay
50016415	6	ChEMBL_2214214 (CHEMBL5127346)	Inhibition of human MNK1 measured by Caliper-based biochemical assay
50016415	7	ChEMBL_2214215 (CHEMBL5127347)	Inhibition of human MNK2 measured by Caliper-based biochemical assay
50016415	8	ChEMBL_2214216 (CHEMBL5127348)	Binding affinity to S2 pocket of full-length human cathepsin S
50016415	9	ChEMBL_2214217 (CHEMBL5127349)	Inhibition of recombinant human cathepsin S using Z-VVR-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by fluorescence assay
50016415	10	ChEMBL_2214218 (CHEMBL5127350)	Inhibition of recombinant hexaHis-SUMO tagged Mycobacterium tuberculosis InhA expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by colorimetric assay
50016415	11	ChEMBL_2214220 (CHEMBL5127352)	Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate preincubated for 30 mins followed by substrate addition
50016415	12	ChEMBL_2214221 (CHEMBL5127353)	Inhibition of Escherichia coli DNA gyrase by isothermal titration calorimetry (ITC) assay
50016415	13	ChEMBL_2214222 (CHEMBL5127354)	Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluorescence based assay
50016415	14	ChEMBL_2214223 (CHEMBL5127355)	Inhibition of full-length human sEH (1 to 555 residues) expressed in Escherichia coli BL21 (DE3) using PHOME as substrate preincubated for 45 mins followed by substrate addition and measured after 45 mins by fluorescence based method
50016415	15	ChEMBL_2214224 (CHEMBL5127356)	Inhibition of C-terminal Hexahistidine-tagged recombinant human LTAH4 expressed in Escherichia coli BL21 (DE3) using L-arginine-7-amino-4-methylcoumarine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based method
50016415	16	ChEMBL_2214227 (CHEMBL5127359)	Inhibition of N-terminal 6His-tagged human BRD4 BD1 (49 to 170 residues) expressed in Escherichia coli BL21 (DE3) using biotin-labeled H4 peptide as substrate measured by Alphascreen assay
50016415	17	ChEMBL_2214229 (CHEMBL5127361)	Binding affinity towards N-terminal 6xHis-SUMO tagged human WDR5 (22 to 334 residues) measured by fluorescence polarization assay
50016415	18	ChEMBL_2214230 (CHEMBL5127362)	Negative allosteric modulation activity at NPBWR1 (unknown origin)
50016415	19	ChEMBL_2214231 (CHEMBL5127363)	Inhibition of FABP4 (unknown origin)
50016416	1	ChEMBL_2214235 (CHEMBL5127367)	Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQpSEDEEE as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	2	ChEMBL_2214237 (CHEMBL5127369)	Inhibition of GST-fused mouse recombinant CLK4 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	3	ChEMBL_2214240 (CHEMBL5127372)	Inhibition of GST-fused mouse recombinant CLK3 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	4	ChEMBL_2214241 (CHEMBL5127373)	Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	5	ChEMBL_2214243 (CHEMBL5127375)	Inhibition of mouse recombinant GST-fused CLK2 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	6	ChEMBL_2214245 (CHEMBL5127377)	Inhibition of GST-fused human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	7	ChEMBL_2214247 (CHEMBL5127379)	Inhibition of GST-fused human recombinant DYRK1B expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	8	ChEMBL_2214249 (CHEMBL5127381)	Inhibition of GST-fused human recombinant DYRK2 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	9	ChEMBL_2214251 (CHEMBL5127383)	Inhibition of GST-fused human recombinant DYRK3 expressed in Escherichia coli using GRSRSRSRSRSR peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	10	ChEMBL_2214253 (CHEMBL5127385)	Inhibition of porcine brain GSK-3alpha/beta at 10 uM using YRRAAVPPSPSLSRHSSPHQpSEDEEE as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	11	ChEMBL_2214254 (CHEMBL5127386)	Inhibition of human recombinant Pim1 expressed in Escherichia coli using histone H1 as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	12	ChEMBL_2214256 (CHEMBL5127388)	Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate incubated for 30 mins in presence of ATP by scintillation counting method
50016416	13	ChEMBL_2214264 (CHEMBL5127396)	Antagonist activity at CP-55940-activated CB1 receptor (unknown origin) by beta-arrestin assay
50016418	1	ChEMBL_2214295 (CHEMBL5127427)	Inhibition of human AT1R expressed in HEK293 cells by non-linear regression analysis
50016418	2	ChEMBL_2214302 (CHEMBL5127434)	Inhibition of Helicobacter pylori urease assessed as measuring ammonia production incubated for 1.5 hr by indophenol method
50016418	3	ChEMBL_2214324 (CHEMBL5127456)	Binding affinity to Mycobacterium tuberculosis UGM assessed as dissociation constant by fluorescence polarization assay
50016420	1	ChEMBL_2214376 (CHEMBL5127508)	Inhibition of HIV1 gp120 interaction with CD4 pretreated for 1 hr followed by TMB substrate addition and measured after 10 mins by ELISA
50016423	1	ChEMBL_2214380 (CHEMBL5127512)	Displacement of [3H]U69593 from KOP (unknown origin) stably expressed in HEK293 cells by liquid scintillation counter analysis
50016423	2	ChEMBL_2214381 (CHEMBL5127513)	Displacement of [3H]DAMGO from MOP (unknown origin) stably expressed in HEK293 cells by liquid scintillation counter analysis
50016423	3	ChEMBL_2214382 (CHEMBL5127514)	Displacement of [3H]DPDPE from DOP (unknown origin) stably expressed in HEK293 cells by liquid scintillation counter analysis
50016423	4	ChEMBL_2214383 (CHEMBL5127515)	Agonist activity at MOP (unknown origin) stably expressed in HEK293 cells assessed as forskolin stimulated cAMP accumulation incubated for 30 mins by radioactivity based scintillation counter analysis
50016423	5	ChEMBL_2214386 (CHEMBL5127518)	Displacement of [3H]DAMGO from human MOP expressed in CHO-K1 cell membrane incubated for 60 mins by Microscint-counting analysis
50016423	6	ChEMBL_2214387 (CHEMBL5127519)	Displacement of [3H]DPDPE from human DOP expressed in CHO-K1 cell membrane incubated for 60 mins by Microscint-counting analysis
50016423	7	ChEMBL_2214388 (CHEMBL5127520)	Displacement of [3H]U69593 from human KOP expressed in CHO-K1 cell membrane incubated for 60 mins by Microscint-counting analysis
50016423	8	ChEMBL_2214389 (CHEMBL5127521)	Agonist activity at human MOP expressed in CHO-K1 cell membrane assessed as [35S]GTPgammaS binding
50016423	9	ChEMBL_2214393 (CHEMBL5127525)	Binding affinity to MOP (unknown origin)
50016423	10	ChEMBL_2214394 (CHEMBL5127526)	Binding affinity to DOP (unknown origin)
50016423	11	ChEMBL_2214395 (CHEMBL5127527)	Binding affinity to KOP (unknown origin)
50016423	12	ChEMBL_2214396 (CHEMBL5127528)	Displacement of [3H]DAMGO from MOP in human SH-SY5Y cells incubated fro 60 mins by scintillation counting analysis
50016423	13	ChEMBL_2214397 (CHEMBL5127529)	Agonist activity at MOP in human SH-SY5Y cells assessed as forskolin stimulated cAMP accumulation incubated for 30 mins by Biotrak-EIA kit method
50016423	14	ChEMBL_2214399 (CHEMBL5127531)	Displacement of [3H]DAMGO from Wistar rat brain membrane MOP
50016423	15	ChEMBL_2214400 (CHEMBL5127532)	Displacement of [3H]-[Ile5,6]-deltorphin-2 from Wistar rat brain membrane DOP
50016423	16	ChEMBL_2214401 (CHEMBL5127533)	Agonist activity at human recombinant MOP expressed in CHO cells by calcium mobilization assay
50016423	17	ChEMBL_2214405 (CHEMBL5127537)	Displacement of [3H]-norBNI from Wistar rat brain membrane KOP
50016423	18	ChEMBL_2214406 (CHEMBL5127538)	Inhibition of Wistar rat brain membrane DOP
50016423	19	ChEMBL_2214407 (CHEMBL5127539)	Inhibition of Wistar rat brain membrane MOP
50016423	20	ChEMBL_2214408 (CHEMBL5127540)	Inhibition of Wistar rat brain membrane KOP
50016423	21	ChEMBL_2214410 (CHEMBL5127542)	Agonist activity at human MOP assessed as forskolin stimulated cAMP accumulation
50016423	22	ChEMBL_2214419 (CHEMBL5127551)	Antagonist activity at guinea pig ileum MOP
50016423	23	ChEMBL_2214420 (CHEMBL5127552)	Antagonist activity at mouse vas deferns MOP
50016423	24	ChEMBL_2214429 (CHEMBL5127561)	Antagonist activity at mouse brain homogenate MOP
50016423	25	ChEMBL_2214430 (CHEMBL5127562)	Antagonist activity at mouse brain homogenate DOP
50016423	26	ChEMBL_2214431 (CHEMBL5127563)	Antagonist activity at mouse brain homogenate KOP
50016423	27	ChEMBL_2214435 (CHEMBL5127567)	Displacement of [3H]DAGO from rat brain MOP incubated for 90 mins by scintillation counter
50016423	28	ChEMBL_2214436 (CHEMBL5127568)	Displacement of [3H][DAla2]deltorphin-I from rat brain DOP incubated for 90 mins by scintillation counter
50016423	29	ChEMBL_2214437 (CHEMBL5127569)	Displacement of [3H]U69593 from guinea pig brain KOP incubated for 90 mins by scintillation counter
50016423	30	ChEMBL_2214445 (CHEMBL5127577)	Displacement of [3H]DAMGO from mouse spinal cord MOP measured after 60 mins by liquid scintillation counter analysis
50016423	31	ChEMBL_2214446 (CHEMBL5127578)	Displacement of [3H]deltorphin-II from mouse spinal cord DOP measured after 60 mins by liquid scintillation counter analysis
50016423	32	ChEMBL_2214447 (CHEMBL5127579)	Displacement of [3H]U-69593 from mouse spinal cord KOP measured after 60 mins by liquid scintillation counter analysis
50016423	33	ChEMBL_2214451 (CHEMBL5127583)	Displacement of [3H]DAMGO from mouse brain cerebellum MOP incubated for 2 hrs by liquid scintillation counter analysis
50016423	34	ChEMBL_2214452 (CHEMBL5127584)	Displacement of [3H]DPDPE from mouse brain cerebellum DOP incubated for 2 hrs by liquid scintillation counter analysis
50016423	35	ChEMBL_2214457 (CHEMBL5127589)	Displacement of [3H]DAMGO from calf thalamus membrane MOP by competitive binding assay
50016423	36	ChEMBL_2214459 (CHEMBL5127591)	Displacement of [3H]U69593 from mouse brain membrane KOP by competitive binding assay
50016423	37	ChEMBL_2214460 (CHEMBL5127592)	Binding affinity to KOP (unknown origin) by two-site binding model
50016423	38	ChEMBL_2214461 (CHEMBL5127593)	Displacement of [3H]U69593 from guinea pig cerebellum KOP by competitive binding assay
50016423	39	ChEMBL_2214472 (CHEMBL5127604)	Displacement of [3H]DAMGO from MOP (unknown origin) stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	40	ChEMBL_2214473 (CHEMBL5127605)	Displacement of [3H]DPDPE from DOP (unknown origin) stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	41	ChEMBL_2214474 (CHEMBL5127606)	Displacement of [3H]diprenorphine from KOP (unknown origin) stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	42	ChEMBL_2214475 (CHEMBL5127607)	Agonist activity at KOP (unknown origin) assessed as inhibition of forskolin-induced cAMP accumulation
50016423	43	ChEMBL_2214476 (CHEMBL5127608)	Agonist activity at human MOP stably expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation
50016423	44	ChEMBL_2214478 (CHEMBL5127610)	Displacement of [3H]DAMGO from rat MOP stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	45	ChEMBL_2214479 (CHEMBL5127611)	Displacement of [3H]DPDPE from mouse DOP stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	46	ChEMBL_2214480 (CHEMBL5127612)	Displacement of dynorphin A-(1-13) amide (Dyn A-(1-13) amide) from rat KOP stably expressed in CHO cell membrane incubated for 90 mins by scintillation counter analysis
50016423	47	ChEMBL_2214481 (CHEMBL5127613)	Displacement of [3H]DAMGO from rat MOP stably expressed in CHO cell membrane
50016423	48	ChEMBL_2214482 (CHEMBL5127614)	Displacement of [3H]DPDPE from mouse DOP stably expressed in CHO cell membrane
50016423	49	ChEMBL_2214483 (CHEMBL5127615)	Displacement of [3H]diprenorphine from rat KOP stably expressed in CHO cell membrane
50016423	50	ChEMBL_2214485 (CHEMBL5127617)	Antagonist activity at human MOP stably expressed in CHO cell membrane assessed as [35S]GTPgammaS binding
50016423	51	ChEMBL_2214486 (CHEMBL5127618)	Antagonist activity at human KOP stably expressed in CHO cell membrane assessed as [35S]GTPgammaS binding
50016423	52	ChEMBL_2214487 (CHEMBL5127619)	Displacement of [3H]DAMGO from guinea pig brain membrane MOP incubated for 1 hr by scintillation counter analysis
50016423	53	ChEMBL_2214494 (CHEMBL5127626)	Displacement of [3H]U69593 from C57BL6/J mouse brain KOP
50016423	54	ChEMBL_2214495 (CHEMBL5127627)	Agonist activity at C57BL6/J mouse brain KOP by calcium mobilization assay
50016423	55	ChEMBL_2214496 (CHEMBL5127628)	Displacement of [3H]U69593 from human KOP stably expressed in CHO cells by competitive binding assay
50016423	56	ChEMBL_2214497 (CHEMBL5127629)	Agonist activity at human KOP stably expressed in CHO cells
50016423	57	ChEMBL_2214499 (CHEMBL5127631)	Agonist activity at C57BL6/J mouse brain KOP
50016423	58	ChEMBL_2214504 (CHEMBL5127636)	Agonist activity at MOP (unknown origin)
50016423	59	ChEMBL_2214505 (CHEMBL5127637)	Displacement of [3H]U69593 from guinea pig brain membrane KOP incubated for 1 hr by scintillation counter analysis
50016423	60	ChEMBL_2214506 (CHEMBL5127638)	Inhibition of mouse DOP
50016423	61	ChEMBL_2214507 (CHEMBL5127639)	Inhibition of mouse KOP
50016423	62	ChEMBL_2214509 (CHEMBL5127641)	Agonist activity at recombinant rat MOP stably expressed in CHO-K1 cell membrane assessed as [35S]GTPgammaS binding
50016423	63	ChEMBL_2214510 (CHEMBL5127642)	Agonist activity at recombinant rat DOP stably expressed in CHO-K1 cell membrane assessed as [35S]GTPgammaS binding
50016423	64	ChEMBL_2214511 (CHEMBL5127643)	Inhibition of MOP (unknown origin)
50016423	65	ChEMBL_2214512 (CHEMBL5127644)	Inhibition of DOP (unknown origin)
50016423	66	ChEMBL_2214513 (CHEMBL5127645)	Inhibition of KOP (unknown origin)
50016423	67	ChEMBL_2214515 (CHEMBL5127647)	Agonist activity at KOP (unknown origin)
50016424	1	ChEMBL_2214583 (CHEMBL5127715)	Inhibition of full-length human recombinant FLAG-tagged ATR/c-Myc-tagged ATRIP using p53 as substrate incubated for 30 mins in presence of ATP by fluorescence based assay
50016424	2	ChEMBL_2214586 (CHEMBL5127718)	Inhibition of human FLAG-tagged ATR/c-Myc-tagged ATRIP expressed in mammalian expression system using p53 as substrate incubated for 2 hrs by fluorescence based assay
50016424	3	ChEMBL_2214588 (CHEMBL5127720)	Inhibition of full-length human recombinant FLAG-tagged ATR/c-Myc-tagged ATRIP using p53 as substrate incubated for 30 mins in presence of ATP by HTRF assay
50016424	4	ChEMBL_2214589 (CHEMBL5127721)	Inhibition of full-length recombinant human ATR/ATRIP using p53 as substrate incubated for 30 mins in presence of ATP by HTRF assay
50016424	5	ChEMBL_2214590 (CHEMBL5127722)	Inhibition of ATR (unknown origin)
50016424	6	ChEMBL_2214591 (CHEMBL5127723)	Inhibition of ATM (unknown origin)
50016424	7	ChEMBL_2214600 (CHEMBL5127732)	Inhibition of PI3K-alpha (unknown origin)
50016424	8	ChEMBL_2214601 (CHEMBL5127733)	Inhibition of mTOR (unknown origin)
50016424	9	ChEMBL_2214602 (CHEMBL5127734)	Inhibition of human DNA-PK using p53 as substrate incubated for 30 mins in presence of by HTRF assay
50016424	10	ChEMBL_2214611 (CHEMBL5127743)	Inhibition of DNA-PK (unknown origin) incubated for 3 hrs by ADP-Glo kinase assay
50016424	11	ChEMBL_2214612 (CHEMBL5127744)	Inhibition of DNA-PK (unknown origin)
50016424	12	ChEMBL_2214615 (CHEMBL5127747)	Inhibition of full-length human DNA-PK expressed in baculovirus expression system using p53 as substrate incubated for 1 hr in presence of ATP by ELISA
50016424	13	ChEMBL_2214616 (CHEMBL5127748)	Inhibition of ATM in human MCF7 cells using etoposide as substrate incubated for 1 hr by Cell Western assay
50016424	14	ChEMBL_2214617 (CHEMBL5127749)	Inhibition of DNA-PK (unknown origin) assessed as inhibition constant using Glu-Pro-Pro-Leu-Ser-Gln-Glu-Ala-Phe-Ala-Asp-Leu-Trp-Lys-Lys-Lys peptide as substrate incubated for 45 mins in presence of [33P]-ATP by scintillation counting method
50016424	15	ChEMBL_2214618 (CHEMBL5127750)	Inhibition of PARP1 (unknown origin) incubated for 1 hr by chemiluminescence assay
50016424	16	ChEMBL_2214619 (CHEMBL5127751)	Inhibition of tankyrase 1 (unknown origin) incubated for 1 hr by chemiluminescence assay
50016424	17	ChEMBL_2214620 (CHEMBL5127752)	Inhibition of tankyrase 2 (unknown origin) incubated for 1 hr by chemiluminescence based assay
50016424	18	ChEMBL_2214621 (CHEMBL5127753)	Inhibition of PI3K-alpha (unknown origin) incubated for 40 mins in presence of ATP by ELISA
50016424	19	ChEMBL_2214625 (CHEMBL5127757)	Inhibition of N-terminal GST-tagged recombinant human PARP1 (2 to 1014 residues) expressed in Sf9 insect cells incubated for 1 hr by colorimetric assay
50016424	20	ChEMBL_2214626 (CHEMBL5127758)	Inhibition of PARP1 (unknown origin) by ELISA
50016424	21	ChEMBL_2214627 (CHEMBL5127759)	Inhibition of N-terminal GST-tagged full-length recombinant human CHK1 expressed in baculovirus infected Sf9 insect cells using FAM-P10 peptide as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo assay
50016424	22	ChEMBL_2214631 (CHEMBL5127763)	Displacement of tracer 178 from WEE1 (unknown origin) incubated for 1 hr by Lantha Screen assay
50016424	23	ChEMBL_2214632 (CHEMBL5127764)	Inhibition of N-terminal GST-tagged wild-type WEE1 (215 to 646 residues) (unknown origin) expressed in Sf21 insect cells incubated for 60 mins in presence of ATP by ELISA
50016424	24	ChEMBL_2214646 (CHEMBL5127778)	Displacement of tracer 178 from N-terminal GST-fused human WEE1 (215 to 646 residues) expressed in baculovirus expression system preincubated for 5 mins followed by tracer addition measured after 60 mins by Lantha Screen EU assay
50016424	25	ChEMBL_2214647 (CHEMBL5127779)	Inhibition of WEE1 (unknown origin) using LSNLYHQGKFLQTFCGSPLYRRR polypeptide as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50016424	26	ChEMBL_2214653 (CHEMBL5127785)	Binding affinity to ATR (unknown origin) assessed as inhibition constant
50016424	27	ChEMBL_2214654 (CHEMBL5127786)	Inhibition of ATR (unknown origin)-driven CHK1 phosphorylation
50016424	28	ChEMBL_2214660 (CHEMBL5127792)	Binding affinity to PARP1 (unknown origin) assessed as inhibition constant
50016424	29	ChEMBL_2214661 (CHEMBL5127793)	Inhibition of PARP1 (unknown origin)
50016424	30	ChEMBL_2214662 (CHEMBL5127794)	Inhibition of PARP2 (unknown origin)
50016424	31	ChEMBL_2214664 (CHEMBL5127796)	Inhibition of WEE1 (unknown origin)
50016424	32	ChEMBL_2214667 (CHEMBL5127799)	Inhibition of CHK1 (unknown origin)
50016424	33	ChEMBL_2214668 (CHEMBL5127800)	Inhibition of CHK2 (unknown origin)
50016425	1	ChEMBL_2214669 (CHEMBL5127801)	Inhibition of NPC1L1 (unknown origin) assessed as inhibition of cholesterol cellular uptake by BCA colorimetric assay
50016427	1	ChEMBL_2214670 (CHEMBL5127802)	Modulation of Androgen receptor (unknown origin)
50016427	2	ChEMBL_2214671 (CHEMBL5127803)	Modulation of human Androgen receptor transfected in African green monkey COS cells
50016427	3	ChEMBL_2214672 (CHEMBL5127804)	Binding affinity to Androgen receptor (unknown origin) assessed as inhibition constant
50016427	4	ChEMBL_2214673 (CHEMBL5127805)	Displacement of [3H]-MIB from cytosolic Androgen receptor derived from Sprague-Dawley rat prostate in presence of triamcinolone by competitive binding assay
50016427	5	ChEMBL_2214674 (CHEMBL5127806)	Inhibition of Androgen receptor (unknown origin)
50016427	6	ChEMBL_2214675 (CHEMBL5127807)	Displacement of Fluormone AL Green from GST/His-tagged recombinant rat Androgen receptor LBD incubated for 5 hrs by fluorescence polarization assay
50016427	7	ChEMBL_2214679 (CHEMBL5127811)	Agonist activity at human Androgen receptor transfected in African green monkey CV-1 cells by Luciferase reporter gene assay
50016427	8	ChEMBL_2214683 (CHEMBL5127815)	Binding affinity to recombinant human Androgen receptor assessed as inhibition constant by competitive binding assay
50016427	9	ChEMBL_2214684 (CHEMBL5127816)	Activation of Androgen receptor-mediated transcription (unknown origin) in African green monkey CV-1 cells incubated for 40 hrs by Luciferase reporter gene assay
50016427	10	ChEMBL_2214685 (CHEMBL5127817)	Displacement of [3H]T from Androgen receptor derived from Sprague-Dawley rat prostate assessed as inhibition constant incubated for 2 hrs by scintillation counter analysis
50016427	11	ChEMBL_2214686 (CHEMBL5127818)	Inhibition of rat Androgen receptor by competitive binding assay
50016427	12	ChEMBL_2214690 (CHEMBL5127822)	Agonist activity at Androgen receptor (unknown origin)
50016429	1	ChEMBL_2214695 (CHEMBL5127827)	Binding affinity to human MDM2 assessed as inhibition constant by competitive binding based fluorescence polarization analysis
50016430	1	ChEMBL_2214702 (CHEMBL5127834)	Inhibition of EZH2 (unknown origin)
50016430	2	ChEMBL_2214703 (CHEMBL5127835)	Inhibition of full length N-terminal His-6x tagged EED (1 to 441 residues) (unknown origin) incubated for 1 hr by TR-FRET assay
50016430	3	ChEMBL_2214705 (CHEMBL5127837)	Inhibition of biotinylated H3K27Me3 peptide (19 to 33 aa) binding to EED (1 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-Codon plus (DE3)-RIL incubated for 1 hr by alpha screen method
50016430	4	ChEMBL_2214706 (CHEMBL5127838)	Inhibition of EED in human G-401 cells assessed as reduction of global H3K27Me3 level by ELISA
50016430	5	ChEMBL_2214707 (CHEMBL5127839)	Inhibition of EED (unknown origin)
50016430	6	ChEMBL_2214709 (CHEMBL5127841)	Inhibition of human ERG
50016430	7	ChEMBL_2214714 (CHEMBL5127846)	Binding affinity to EED (unknown origin) assessed as dissociation constant
50016430	8	ChEMBL_2214718 (CHEMBL5127850)	Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis
50016430	9	ChEMBL_2214720 (CHEMBL5127852)	Binding affinity to biotinylated EED (unknown origin) assessed as dissociation constant incubated for 120 secs
50016430	10	ChEMBL_2214723 (CHEMBL5127855)	Inhibition of EED (unknown origin) by alpha screen binding assay
50016430	11	ChEMBL_2214724 (CHEMBL5127856)	Inhibition of His-tagged EED (unknown origin) incubated for 30 mins in presence of biotinylated H3K27me3 peptide (19 to 33 aa) by alpha screening competitive binding assay method
50016430	12	ChEMBL_2214732 (CHEMBL5127864)	Inhibition of human EED (76 to 441 residues) expressed in Escherichia coli strain BL21(DE3) by alpha screen assay
50016430	13	ChEMBL_2214733 (CHEMBL5127865)	Binding affinity to GST-tagged EED (unknown origin) assessed as inhibition constant incubated for 1 hr by TR-FRET assay
50016430	14	ChEMBL_2214734 (CHEMBL5127866)	Inhibition of GST-tagged EED in human G-401 cells assessed as inhibition of histone trimethylation by TR-FRET assay
50016430	15	ChEMBL_2214737 (CHEMBL5127869)	Inhibition of PRC2 complex of EZH2-EED-SUZ12 (unknown origin) using human nucleosome as substrate incubated for 70 mins in presence of [3H]SAM
50016430	16	ChEMBL_2214742 (CHEMBL5127874)	Binding affinity to N-terminal His-tagged full length EED (unknown origin) by ITC method
50016430	17	ChEMBL_2214751 (CHEMBL5127883)	Binding affinity to EED (unknown origin) assessed as dissociation constant SPR assay
50016430	18	ChEMBL_2214765 (CHEMBL5127897)	Binding affinity to human N-terminal His-6 tagged EED expressed in Escherichia coli strain BL2(DE3) by SPR analysis
50016430	19	ChEMBL_2214766 (CHEMBL5127898)	Inhibition of human N-terminal His-6 tagged EED expressed in Escherichia coli strain BL2(DE3) by SPR analysis
50016431	1	ChEMBL_2214771 (CHEMBL5127903)	Inhibition of KDM1A (unknown origin)
50016431	2	ChEMBL_2214772 (CHEMBL5127904)	Inhibition of MAO-A (unknown origin)
50016431	3	ChEMBL_2214773 (CHEMBL5127905)	Inhibition of MAO-B (unknown origin)
50016431	4	ChEMBL_2214774 (CHEMBL5127906)	Inhibition of KDM1A (unknown origin) incubated for 30 mins
50016431	5	ChEMBL_2214775 (CHEMBL5127907)	Inhibition of recombinant MAO-A (unknown origin) using 5-hydroxytryptamine as substrate incubated for 20 mins followed by substrate addition measured after 60 mins by enzymatic assay
50016431	6	ChEMBL_2214776 (CHEMBL5127908)	Inhibition of recombinant MAO-B (unknown origin) using benzylamine as substrate incubated for 20 mins followed by substrate addition measured after 60 mins by enzymatic assay
50016431	7	ChEMBL_2214777 (CHEMBL5127909)	Inhibition of recombinant human KDM1A (172 to 852 residues) using Bio-H3K4me2 peptide as substrate incubated for 1 hr by Lance ultra assay
50016431	8	ChEMBL_2214778 (CHEMBL5127910)	Inhibition of MAO-A (unknown origin) by luminescence based assay
50016431	9	ChEMBL_2214779 (CHEMBL5127911)	Inhibition of MAO-B (unknown origin) by luminescence based assay
50016431	10	ChEMBL_2214780 (CHEMBL5127912)	Inhibition of recombinant human KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate preincubated for 15 mins followed by substrate addition measured for 12 mins by fluorescence based assay
50016431	11	ChEMBL_2214783 (CHEMBL5127915)	Inhibition of recombinant human KMD1A (172 to 852 residues) using Bio-H3K4me2 peptide as substrate incubated for 1 hr by Lance ultra TR-FRET assay
50016431	12	ChEMBL_2214784 (CHEMBL5127916)	Binding affinity to human KDM1A (172 to 833 residues) assessed as inhibition constant using Lys4-dimethylated H3 peptide as substrate incubated for 30 mins by enzymatic assay
50016431	13	ChEMBL_2214785 (CHEMBL5127917)	Binding affinity to KDM1B (unknown origin) assessed as inhibition constant using Lys4-dimethylated H3 peptide as substrate incubated for 30 mins by enzymatic assay
50016431	14	ChEMBL_2214786 (CHEMBL5127918)	Binding affinity to human MAO-A assessed as inhibition constant using tyramine as substrate incubated for 30 mins by enzymatic assay
50016431	15	ChEMBL_2214787 (CHEMBL5127919)	Binding affinity to human MAO-B assessed as inhibition constant using tyramine as substrate incubated for 30 mins by enzymatic assay
50016431	16	ChEMBL_2214788 (CHEMBL5127920)	Inhibition of recombinant human KMD1A using H3K4Me2 peptide as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50016431	17	ChEMBL_2214790 (CHEMBL5127922)	Inhibition of full-length recombinant KDM1A (unknown origin) expressed in Escherichia coli BL21 DE using H3K4Me2 peptide as substrate incubated for 0.5 hrs by Amplex red assay
50016431	18	ChEMBL_2214791 (CHEMBL5127923)	Inhibition of recombinant KDM1A (unknown origin) using H3K4Me2 peptide as substrate incubated for 0.5 hrs by Amplex red assay
50016431	19	ChEMBL_2214792 (CHEMBL5127924)	Inhibition of KDM1A (unknown origin) by fluorescence based assay
50016431	20	ChEMBL_2214795 (CHEMBL5127927)	Inhibition of recombinant KDM1A (unknown origin) expressed in Escherichia coli BL21 using H3K4Me2 peptide as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50016431	21	ChEMBL_2214799 (CHEMBL5127931)	Inhibition of recombinant human KDM1A using fluorogenic substrate incubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence based assay
50016431	22	ChEMBL_2214800 (CHEMBL5127932)	Inhibition of recombinant human KDM1A (158 to 852 residues) using H3K4Me2 peptide as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by AlphaLISA assay
50016431	23	ChEMBL_2214801 (CHEMBL5127933)	Inhibition of recombinant KDM1A (unknown origin) by fluorescence based assay
50016431	24	ChEMBL_2214809 (CHEMBL5127941)	Inhibition of full-length KDM1A (unknown origin) expressed in Escherichia coli BL21 DE by fluorescence based assay
50016431	25	ChEMBL_2214810 (CHEMBL5127942)	Inhibition of MAO-A (unknown origin) by luminometry
50016431	26	ChEMBL_2214811 (CHEMBL5127943)	Inhibition of MAO-B (unknown origin) by luminometry
50016431	27	ChEMBL_2214814 (CHEMBL5127946)	Binding affinity to human KDM1A (514 to 2499 residues) expressed in Escherichia coli Rosetta 2 assessed as dissociation constant by SPR Biosensor assay
50016431	28	ChEMBL_2214815 (CHEMBL5127947)	Binding affinity to CM7 sensor chip immobilized partial-length JMJD1C (2274 to 2498 residues) (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 60 secs by SPR analysis
50016431	29	ChEMBL_2214816 (CHEMBL5127948)	Binding affinity to CM7 sensor chip immobilized full-length KDM3B (unknown origin) expressed in Sf9 insect cells assessed as dissociation constant incubated for 60 secs by SPR analysis
50016431	30	ChEMBL_2214817 (CHEMBL5127949)	Inhibition of recombinant human KDM4A incubated for 30 mins by fluorescence based assay
50016431	31	ChEMBL_2214818 (CHEMBL5127950)	Inhibition of GST-tagged recombinant KDM4B (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins by fluorescence based assay
50016431	32	ChEMBL_2214819 (CHEMBL5127951)	Inhibition of GST-tagged recombinant KDM4C (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins by fluorescence based assay
50016431	33	ChEMBL_2214820 (CHEMBL5127952)	Inhibition of GST-tagged recombinant KDM4D (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins by fluorescence based assay
50016431	34	ChEMBL_2214822 (CHEMBL5127954)	Inhibition of full-length human KDM5A expressed in recombinant baculovirus expression system using H3K9me3 peptide as substrate incubated for 30 to 45 mins by TR-FRET assay
50016431	35	ChEMBL_2214823 (CHEMBL5127955)	Inhibition of KDM4A (unknown origin) incubated for 30 mins by fluorescence based assay
50016431	36	ChEMBL_2214824 (CHEMBL5127956)	Inhibition of N-terminal FLAG/His-tagged full-length human KDM5C (2 to 1560 residues) expressed in baculovirus infected Sf9 insect cells using peptide substrate incubated for 2 hrs by Alpha Screen assay
50016431	37	ChEMBL_2214826 (CHEMBL5127958)	Binding affinity to KDM6B (unknown origin) assessed as inhibition constant
50016431	38	ChEMBL_2214827 (CHEMBL5127959)	Inhibition of KDM2A (unknown origin)
50016431	39	ChEMBL_2214828 (CHEMBL5127960)	Inhibition of KDM2B (unknown origin)
50016431	40	ChEMBL_2214829 (CHEMBL5127961)	Inhibition of KDM5C (unknown origin)
50016431	41	ChEMBL_2214830 (CHEMBL5127962)	Inhibition of KDM6A (unknown origin)
50016431	42	ChEMBL_2214831 (CHEMBL5127963)	Inhibition of KDM4A (1 to 359 residues) (unknown origin) using ARTKQTARK(me3)-STGGKAPRKQLA-GGK(biotin) peptide as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LANCE Ultra assay
50016431	43	ChEMBL_2214832 (CHEMBL5127964)	Inhibition of full-length KDM5A (1 to 1090 residues)(unknown origin) using ARTK(me3)-QTARKSTGGKAPRKQLA-GGK(biotin) as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LANCE Ultra assay
50016431	44	ChEMBL_2214833 (CHEMBL5127965)	Inhibition of KDM6B (1043 to end residues) (unknown origin) using ATKAARK(me3)-SAPATGGVKKPHRYRPG-GK(biotin) as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by LANCE Ultra assay
50016432	1	ChEMBL_2214834 (CHEMBL5127966)	Agonist activity at human DP1 expressed in human 1321N1 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50016432	2	ChEMBL_2214835 (CHEMBL5127967)	Agonist activity at human IP expressed in HEK293 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50016432	3	ChEMBL_2214836 (CHEMBL5127968)	Agonist activity at human EP2 expressed in HEK293 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50016432	4	ChEMBL_2214837 (CHEMBL5127969)	Agonist activity at human EP1 expressed in HEK293 cells assessed as increase in cAMP level incubated for 20 mins measured after 60 mins addition of cAMP detect reagent by HTRF analysis
50016433	1	ChEMBL_2214838 (CHEMBL5127970)	Inhibition of NAE1/UBA3 in human HCT-116 cells assessed as reduction in Ubc12-NEDD8 level incubated for 24 hrs by immunoblot analysis
50016433	2	ChEMBL_2214839 (CHEMBL5127971)	Inhibition of SAE1/UBA2 in human HCT-116 cells assessed as reduction in Ubc9-SUMO level incubated for 24 hrs by immunoblot analysis
50016433	3	ChEMBL_2214840 (CHEMBL5127972)	Inhibition of mouse UAE1 in human HCT-116 cells assessed as reduction in Ubc10-Ub thioester level incubated for 24 hrs by immunoblot analysis
50016433	4	ChEMBL_2214841 (CHEMBL5127973)	Inhibition of His-tagged UBA6 (unknown origin) expressed in sf9 insect cells
50016433	5	ChEMBL_2214842 (CHEMBL5127974)	Inhibition of His-tagged ATG7 (unknown origin) expressed in sf9 insect cells
50016433	6	ChEMBL_2214843 (CHEMBL5127975)	Inhibition of recombinant human APPBP1/UBA3 expressed in Escherichia coli assessed as Ub/Ubl thioester transfer
50016433	7	ChEMBL_2214844 (CHEMBL5127976)	Inhibition of recombinant C-terminal His-tagged human full length UAE1 expressed in Escherichia coli BL21 (lambdaDE3) assessed as reduction in transfer of Ub to UBE2C enzyme
50016433	8	ChEMBL_2214845 (CHEMBL5127977)	Inhibition of recombinant human SAE1/UBA2 expressed in Escherichia coli assessed as reduction in transfer of UMO1 to UBE2I enzyme
50016433	9	ChEMBL_2214846 (CHEMBL5127978)	Inhibition of human erythrocyte carbonic anhydrase 2 using 4-Nitrophenyl acetate as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometry
50016433	10	ChEMBL_2214849 (CHEMBL5127981)	Inhibition of NAE (unknown origin)
50016433	11	ChEMBL_2214850 (CHEMBL5127982)	Inhibition of UAE (unknown origin)
50016433	12	ChEMBL_2214851 (CHEMBL5127983)	Inhibition of NAE-mediated neddylation in human MGC-803 cells assessed as effect on NEDD8-UBC12 coupling product formation
50016433	13	ChEMBL_2214856 (CHEMBL5127988)	Inhibition of Ubc12 (unknown origin)-neddylation incubated for 30 mins in presence of ATP by Western blot analysis
50016434	1	ChEMBL_2214899 (CHEMBL5128031)	Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone as substrate by LC-MS/MS analysis
50016435	1	ChEMBL_2214917 (CHEMBL5128049)	Inhibition of PDE1 (unknown origin)
50016435	2	ChEMBL_2214919 (CHEMBL5128051)	Inhibition of human PDE2A
50016435	3	ChEMBL_2214922 (CHEMBL5128054)	Displacement of [3H]-cAMP from recombinant PDE2 (unknown origin) expressed in African green monkey COS-7 cells incubated for 30 mins in presence of cGMP by liquid scintillation counting method
50016435	4	ChEMBL_2214923 (CHEMBL5128055)	Inhibition of PDE2 (unknown origin)
50016435	5	ChEMBL_2214936 (CHEMBL5128068)	Inhibition of full-length PDE4D3 (unknown origin) using FAM-cAMP as substrate incubated for 5 mins followed by substrate addition measured after 30 mins by IMAP assay
50016435	6	ChEMBL_2214938 (CHEMBL5128070)	Inhibition of human PDE7D4
50016435	7	ChEMBL_2214940 (CHEMBL5128072)	Inhibition of PDE6 (unknown origin)
50016435	8	ChEMBL_2214944 (CHEMBL5128076)	Displacement of [3H]-cAMP from recombinant human PDE7A1 incubated for 20 mins by scintillation proximity assay
50016435	9	ChEMBL_2214946 (CHEMBL5128078)	Inhibition of PDE8A (unknown origin)
50016435	10	ChEMBL_2214947 (CHEMBL5128079)	Inhibition of PDE8B (unknown origin)
50016435	11	ChEMBL_2214948 (CHEMBL5128080)	Displacement of [8-3H]-cGMP from recombinant mouse PDE9A expressed in baculovirus infected Sf9 insect cells incubated for 60 mins by scintillation proximity assay
50016435	12	ChEMBL_2214949 (CHEMBL5128081)	Displacement of [3H]-cGMP from PDE9A2 (unknown origin) incubated for 15 mins by liquid scintillation counter method
50016435	13	ChEMBL_2214950 (CHEMBL5128082)	Inhibition of PDE9 (unknown origin)
50016435	14	ChEMBL_2214953 (CHEMBL5128085)	Inhibition of PDE9A (unknown origin)
50016435	15	ChEMBL_2214954 (CHEMBL5128086)	Inhibition of recombinant human PDE9A1 by radiometric assay
50016435	16	ChEMBL_2214955 (CHEMBL5128087)	Displacement of [3H]-cGMP from recombinant PDE9A2 (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 incubated for 15 mins by liquid scintillation counting method
50016435	17	ChEMBL_2214956 (CHEMBL5128088)	Inhibition of PDE10A (unknown origin)
50016435	18	ChEMBL_2214957 (CHEMBL5128089)	Binding affinity to recombinant human PDE10A assessed as inhibition constant using fluorescein-labeled cAMP as substrate incubated for 5 mins followed by substrate addition measured after 60 mins by IMAP TR-FRET assay
50016438	1	ChEMBL_2214959 (CHEMBL5128091)	Inhibition of human DHODH using dihydroorotate substrate by DCIP dye based spectrophotometry analysis
50016438	2	ChEMBL_2214963 (CHEMBL5128095)	Inhibition of recombinant human DHODH using dihydroorotate substrate incubated for 30 mins by DCIP dye based microplate reader analysis
50016438	3	ChEMBL_2214966 (CHEMBL5128098)	Inhibition of human DHODH (M30 to R360 residues) by DCIP dye based analysis
50016438	4	ChEMBL_2214967 (CHEMBL5128099)	Inhibition of recombinant human DHODH using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 60 mins by DCIP dye based analysis
50016438	5	ChEMBL_2214971 (CHEMBL5128103)	Inhibition of recombinant human DHODH using dihydroorotate as substrate and UQ0 as co-substrate by DCIP dye based analysis
50016438	6	ChEMBL_2214972 (CHEMBL5128104)	Inhibition of human DHODH
50016438	7	ChEMBL_2214977 (CHEMBL5128109)	Inhibition of recombinant His-tagged human DHODH expressed in Escherichia coli using dihydroorotate as substrate DCIP dye based analysis
50016438	8	ChEMBL_2214981 (CHEMBL5128113)	Binding affinity to N-terminal 6His-tagged recombinant human DHODH expressed in Escherichia coli strain BL21 (DE3) by isothermal titration calorimetry analysis
50016438	9	ChEMBL_2214982 (CHEMBL5128114)	Inhibition of N-terminal 6His-tagged recombinant human DHODH expressed in Escherichia coli strain BL21 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 10 mins by DCIP dye based analysis
50016438	10	ChEMBL_2214983 (CHEMBL5128115)	Inhibition of human DHODH expressed in Escherichia coli Rosetta 2 (DE3) using dihydroorotate as substrate and CoQ6 as co-substrate incubated for 30 mins by DCIP dye based microplate reader analysis
50016438	11	ChEMBL_2214986 (CHEMBL5128118)	Inhibition of recombinant human DHODH using dihydroorotate as substrate and CoQ6 as co-substrate by DCIP dye based analysis
50016440	1	ChEMBL_2215005 (CHEMBL5128137)	Inhibition of gamma-secretase in human H4 cells assessed as reduction in amyloid beta 42
50016440	3	ChEMBL_2215014 (CHEMBL5128146)	Inhibition of gamma-secretase (unknown origin) assessed as inhibition of Amyloid beta 40 production by cell-free assay
50016440	4	ChEMBL_2215015 (CHEMBL5128147)	Inhibition of gamma-secretase (unknown origin) assessed as inhibition of Amyloid beta 42 production by cell-free assay
50016440	5	ChEMBL_2215018 (CHEMBL5128150)	Inhibition of gamma secretase derived from human Hela cell membrane assessed as reduction in amyloid beta (1 to 40) production by ELISA
50016440	6	ChEMBL_2215020 (CHEMBL5128152)	Inhibition of BACE1 (unknown origin)
50016440	7	ChEMBL_2215021 (CHEMBL5128153)	Inhibition of Cathepsin D (unknown origin)
50016440	8	ChEMBL_2215023 (CHEMBL5128155)	Inhibition of Trypsin (unknown origin)
50016440	9	ChEMBL_2215025 (CHEMBL5128157)	Inhibition of gamma-secretase (unknown origin) assessed as inhibition of NICD cleavage
50016440	10	ChEMBL_2215026 (CHEMBL5128158)	Inhibition of amyloid beta 42 (unknown origin) secretion
50016440	11	ChEMBL_2215027 (CHEMBL5128159)	Modulation of amyloid beta 42 in human H4 cells expressing APP751 incubated overnight by ELISA
50016441	1	ChEMBL_2215043 (CHEMBL5128175)	Displacement of [8,5'-3H]dGTP from HIV-1 reverse transcriptase
50016441	2	ChEMBL_2215045 (CHEMBL5128177)	Inhibition of HIV-1 reverse transcriptase using rC.dG as primer/template
50016441	3	ChEMBL_2215050 (CHEMBL5128182)	Inhibition of TF/VIIA complex (unknown origin)
50016444	1	ChEMBL_2215057 (CHEMBL5128189)	Inhibition of N-terminal His6-tagged human full length recombinant BTK expressed in baculovirus infected Sf21 insect cells using YIYGSFK as substrate preincubated for 5 mins followed by 33p-labeled ATP addition and measured after 1 hr by thin layer chromatography
50016444	2	ChEMBL_2215058 (CHEMBL5128190)	Inhibition of N-terminal His6-tagged human full length recombinant BMX expressed in Sf21 insect cells using TSFYGRH as substrate preincubated for 5 mins followed by 33p-labeled ATP addition and measured after 1 hr by thin layer chromatography
50016444	3	ChEMBL_2215060 (CHEMBL5128192)	Inhibition of recombinant JAK3 (unknown origin)
50016444	4	ChEMBL_2215061 (CHEMBL5128193)	Inhibition of BMX (unknown origin)
50016444	5	ChEMBL_2215062 (CHEMBL5128194)	Inhibition of BTK (unknown origin)
50016444	6	ChEMBL_2215066 (CHEMBL5128198)	Inhibition of MNK2 (unknown origin) expressed in HEK293T cells assessed as reduction in eIF4E phosphorylation preincubated for 30 mins followed by ATP addition and measured after 30 mins by Western blot analysis
50016444	7	ChEMBL_2215067 (CHEMBL5128199)	Inhibition of MNK1 (unknown origin) expressed in HEK293T cells assessed as reduction in eIF4E phosphorylation preincubated for 30 mins followed by ATP addition and measured after 30 mins by Western blot analysis
50016444	8	ChEMBL_2215068 (CHEMBL5128200)	Inhibition of BTK (unknown origin) transfected in HEK293T cells assessed as reduction in BTK phosphorylation preincubated for 30 mins followed by ATP addition and measured after 20 mins by Western blot analysis
50016444	9	ChEMBL_2215076 (CHEMBL5128208)	Inhibition of HCK (unknown origin)
50016445	1	ChEMBL_2215083 (CHEMBL5128215)	Inhibition of human recombinant MAO-B incubated for 15 mins by Amplex red MAO assay
50016445	2	ChEMBL_2215084 (CHEMBL5128216)	Inhibition of HFIP-treated Amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 46 to 48 hrs by fluorescence based assay
50016445	3	ChEMBL_2215086 (CHEMBL5128218)	Inhibition of human recombinant MAO-B incubated for 30 mins by fluorescence based assay
50016445	4	ChEMBL_2215088 (CHEMBL5128220)	Inhibition of MAO-B (unknown origin) incubated for 30 mins
50016445	5	ChEMBL_2215089 (CHEMBL5128221)	Inhibition of AChE (unknown origin) using ATCI as substrate incubated for 30 mins by Ellman's method
50016445	6	ChEMBL_2215090 (CHEMBL5128222)	Inhibition of BChE (unknown origin) using BTCI as substrate incubated for 30 mins by Ellman's method
50016445	7	ChEMBL_2215094 (CHEMBL5128226)	Inhibition of AChE (unknown origin) incubated for 30 mins by Ellman's method
50016445	8	ChEMBL_2215095 (CHEMBL5128227)	Inhibition of BChE (unknown origin) incubated for 30 mins by Ellman's method
50016445	9	ChEMBL_2215096 (CHEMBL5128228)	Inhibition of human recombinant BACE-1 expressed in baculovirus using Rh-EVNLDAEFK-Quencher as substrate incubated for 60 mins by measuring increase in fluorescence intensity using fluorescence microplate reader
50016445	10	ChEMBL_2215097 (CHEMBL5128229)	Inhibition of cox-2 (unknown origin) incubated for 5 mins by 96-well plate method
50016445	11	ChEMBL_2215098 (CHEMBL5128230)	Inhibition of human LOX-5 in presence of LOX substrate solution incubated for 10 mins by Varioskan-flash microplate spectrophotometer reader
50016445	12	ChEMBL_2215099 (CHEMBL5128231)	Binding affinity to AChE (unknown origin) assessed as inhibition constant using AChI as substrate incubated for 15 mins by Ellman's spectrophotometric method
50016445	13	ChEMBL_2215100 (CHEMBL5128232)	Binding affinity to carbonic anhydrase 1 (unknown origin) assessed as inhibition constant
50016445	14	ChEMBL_2215101 (CHEMBL5128233)	Binding affinity to carbonic anhydrase 2 (unknown origin) assessed as inhibition constant
50016445	15	ChEMBL_2215102 (CHEMBL5128234)	Binding affinity to AChE (unknown origin) assessed as inhibition constant
50016445	16	ChEMBL_2215107 (CHEMBL5128239)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition measured after 5 mins by Ellman's method
50016445	17	ChEMBL_2215108 (CHEMBL5128240)	Inhibition of human recombinant MAO-A incubated for 15 mins by Amplex red MAO assay
50016445	18	ChEMBL_2215109 (CHEMBL5128241)	Inhibition of human recombinant MAO-A incubated for 30 mins by fluorescence based assay
50016445	19	ChEMBL_2215110 (CHEMBL5128242)	Inhibition of electric eel AChE using ATCh as substrate preincubated for 15 mins followed by substrate addition measured by spectrophotometric analysis
50016445	20	ChEMBL_2215112 (CHEMBL5128244)	Inhibition of electric eel AChE measured after 2 mins by Ellman's method
50016446	1	ChEMBL_2215119 (CHEMBL5128251)	Inhibition of EGFR (unknown origin) using poly (glu-tyr) as substrate incubated for 1 hr in presence of ATP measured by ADP-Glo kinase assay
50016446	2	ChEMBL_2215138 (CHEMBL5128270)	Inhibition of telomerase (unknown origin)
50016446	3	ChEMBL_2215145 (CHEMBL5128277)	Binding affinity to autotaxin (unknown origin) phosphodiesterase activity
50016446	4	ChEMBL_2215157 (CHEMBL5128289)	Inhibition of horse serum BuChE preincubated for 5 mins followed by BuCh addition measured after 5 mins by Ellman's method
50016446	5	ChEMBL_2215158 (CHEMBL5128290)	Inhibition of human serum BuChE preincubated for 5 mins followed by BuCh addition measured after 5 mins by Ellman's method
50016446	6	ChEMBL_2215159 (CHEMBL5128291)	Inhibition of AChE (unknown origin) preincubated for 5 mins followed by BuCh addition measured after 5 mins by Ellman's method
50016446	7	ChEMBL_2215160 (CHEMBL5128292)	Binding affinity to BuChE (unknown origin) assessed as inhibition constant
50016447	1	ChEMBL_2215173 (CHEMBL5128305)	Inhibition of LPS-stimulated TLR4 activation in HEK-Blue-hTLR4 cells assessed as reduction in SEAP release preincubated for 15 mins followed by LPS stimulation and measured after 16 hrs by microplate reader assay
50016447	2	ChEMBL_2215181 (CHEMBL5128313)	Binding affinity to TLR4 in human THP-1 monocytes after 48 hrs by ELISA
50016447	3	ChEMBL_2215183 (CHEMBL5128315)	Inhibition of human TLR4 expressed in HEK293-Blue hTLR4 cells assessed as SEAP expression
50016447	4	ChEMBL_2215184 (CHEMBL5128316)	Antagonist activity at human TLR4 expressed in HEK-blue hTLR4/MD2-CE14 cells cotransfected with pNiFty plasmid assessed as reduction in NF-kappaB activation incubated for overnight by dual-Glo luciferase assay
50016447	5	ChEMBL_2215185 (CHEMBL5128317)	Antagonist activity at human TLR4 expressed in HEK-blue hTLR4/MD2-CE14 cells cotransfected with pISRE-TA plasmid assessed as reduction in ISRE activation incubated for overnight by dual-Glo luciferase assay
50016448	1	ChEMBL_2215213 (CHEMBL5128345)	Inhibition of HCV genotype 1a NS5A
50016448	2	ChEMBL_2215214 (CHEMBL5128346)	Inhibition of HCV genotype 1b NS5A
50016448	3	ChEMBL_2215215 (CHEMBL5128347)	Inhibition of HCV genotype 2a NS5A
50016448	4	ChEMBL_2215216 (CHEMBL5128348)	Inhibition of HCV genotype 3a NS5A
50016448	5	ChEMBL_2215217 (CHEMBL5128349)	Inhibition of HCV genotype 4a NS5A
50016448	6	ChEMBL_2215218 (CHEMBL5128350)	Inhibition of HCV genotype 5a NS5A
50016448	7	ChEMBL_2215219 (CHEMBL5128351)	Inhibition of HCV genotype 6a NS5A
50016449	1	ChEMBL_2215242 (CHEMBL5128374)	Inhibition of Influenza A virus (A/GuangdongSB/01/2009(H1N1)) neuraminidase using 4-MUNANA as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence assay
50016449	2	ChEMBL_2215243 (CHEMBL5128375)	Inhibition of Influenza A virus (A/Guangdong/03/2009(H1N1)) neuraminidase using 4-MUNANA as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence assay
50016449	3	ChEMBL_2215244 (CHEMBL5128376)	Inhibition of Influenza A virus (A/Guangdong/05/2009(H1N1)) neuraminidase using 4-MUNANA as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence assay
50016449	4	ChEMBL_2215247 (CHEMBL5128379)	Binding affinity to influenza A/Beijing/262/95 H1N1 neuraminidase expressed in baculovirus expression system using sialyl-lactose as substrate
50016451	1	ChEMBL_2215265 (CHEMBL5128397)	Inhibition of GSK-3beta (unknown origin)
50016451	2	ChEMBL_2215266 (CHEMBL5128398)	Inhibition of human recombinant GST-tagged GSK3-beta incubated for 1 hr by Envision plate reader method
50016451	3	ChEMBL_2215267 (CHEMBL5128399)	Inhibition of human recombinant GSK3-beta
50016451	4	ChEMBL_2215268 (CHEMBL5128400)	Inhibition of GSK3-beta (unknown origin) by Kinase-Glo Max assay kit
50016451	5	ChEMBL_2215269 (CHEMBL5128401)	Inhibition of GSK-3beta (unknown origin) using GS-1 as substrate incubated for 20 mins
50016451	6	ChEMBL_2215273 (CHEMBL5128405)	Inhibition of rat brain PKC using peptide PANKTPPKSPGEPAK as substrate incubated for 20 mins in presence of phosphatidyl serine
50016451	7	ChEMBL_2215274 (CHEMBL5128406)	Inhibition of GSK-3beta (unknown origin) using peptide YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 5 to 60 mins by ADP-Glo kinase assay
50016451	8	ChEMBL_2215277 (CHEMBL5128409)	Inhibition of GSK-3beta (unknown origin) using biotin-labelled IRS-1 peptide as substrate incubated for 15 mins by ELISA based assay
50016452	1	ChEMBL_2215278 (CHEMBL5128410)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50016452	2	ChEMBL_2215279 (CHEMBL5128411)	Inhibition of recombinant human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50016452	3	ChEMBL_2215282 (CHEMBL5128414)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50016452	4	ChEMBL_2215284 (CHEMBL5128416)	Inhibition of recombinant human MAO-A assessed as amount of 4-hydroxyquinoline using kynuramine as a substrate incubated for 30 mins by fluorescence spectrophotometry
50016452	5	ChEMBL_2215285 (CHEMBL5128417)	Inhibition of recombinant human MAO-B assessed as amount of 4-hydroxyquinoline using kynuramine as a substrate incubated for 30 mins by fluorescence spectrophotometry
50016452	6	ChEMBL_2215286 (CHEMBL5128418)	Inhibition of Electrophorus electricus AchE incubated for 15 mins by Ellman's method
50016452	7	ChEMBL_2215287 (CHEMBL5128419)	Inhibition of BuChE (unknown origin) incubated for 15 mins by Ellman's method
50016452	8	ChEMBL_2215290 (CHEMBL5128422)	Inhibition of BuChE (unknown origin)
50016452	9	ChEMBL_2215293 (CHEMBL5128425)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 5 mins by Ellman's method
50016452	10	ChEMBL_2215294 (CHEMBL5128426)	Inhibition of human LOX-5 using arachidonic acid and ATP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescent assay
50016452	11	ChEMBL_2215295 (CHEMBL5128427)	Inhibition of human BACE-1 using rhodamine-EVNLDAEFK-quencher as peptide substrate incubated for 60 mins by FRET assay
50016452	12	ChEMBL_2215296 (CHEMBL5128428)	Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's method
50016452	13	ChEMBL_2215297 (CHEMBL5128429)	Inhibition of MMP-2 (unknown origin) by Fluorometric analysis
50016452	14	ChEMBL_2215299 (CHEMBL5128431)	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin T based fluorometric assay
50016452	15	ChEMBL_2215300 (CHEMBL5128432)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric based Ellman's method
50016452	16	ChEMBL_2215301 (CHEMBL5128433)	Inhibition of horse serum BuChE using butyrylthiocholine chloride as substrate by spectrophotometric based Ellman's method
50016452	17	ChEMBL_2215305 (CHEMBL5128437)	Inhibition of NMDA receptor (unknown origin)
50016452	18	ChEMBL_2215307 (CHEMBL5128439)	Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Amplex Red reagent based fluorometric analysis
50016452	19	ChEMBL_2215308 (CHEMBL5128440)	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins by Ellman's method
50016452	20	ChEMBL_2215309 (CHEMBL5128441)	Inhibition of recombinant human AChE using Amplex red, acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by microplate fluorescence reader analysis
50016452	21	ChEMBL_2215310 (CHEMBL5128442)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50016452	22	ChEMBL_2215311 (CHEMBL5128443)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method
50016452	23	ChEMBL_2215312 (CHEMBL5128444)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method
50016452	24	ChEMBL_2215313 (CHEMBL5128445)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate by Ellman's method
50016452	25	ChEMBL_2215314 (CHEMBL5128446)	Inhibition of recombinant human AChE using acetylthiocholine as substrate by Ellman's method
50016452	26	ChEMBL_2215315 (CHEMBL5128447)	Inhibition of AChE (unknown origin) by spectrophotometric based Ellman's method
50016452	27	ChEMBL_2215316 (CHEMBL5128448)	Inhibition of BuChE (unknown origin) by spectrophotometric based Ellman's method
50016452	28	ChEMBL_2215317 (CHEMBL5128449)	Inhibition of BACE-1 (unknown origin)
50016452	29	ChEMBL_2215319 (CHEMBL5128451)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50016452	30	ChEMBL_2215321 (CHEMBL5128453)	Inhibition of recombinant human MAO-B assessed as formation of 4-hydroxyquinoline using kynuramine as a substrate incubated for 30 mins by fluorescence spectrophotometry
50016452	31	ChEMBL_2215324 (CHEMBL5128456)	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50016452	32	ChEMBL_2215325 (CHEMBL5128457)	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50016452	33	ChEMBL_2215326 (CHEMBL5128458)	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 24 hrs by Thioflavin T based fluorometric assay
50016452	34	ChEMBL_2215328 (CHEMBL5128460)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 45 mins followed by substrate addition by DTNB reagent based Ellman's method
50016452	35	ChEMBL_2215329 (CHEMBL5128461)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 2 mins by spectrophotometric based Ellman's method
50016452	36	ChEMBL_2215330 (CHEMBL5128462)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 2 mins by spectrophotometric based Ellman's method
50016452	37	ChEMBL_2215332 (CHEMBL5128464)	Inhibition of self induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 24 hrs by Thioflavin T based fluorometric assay
50016452	38	ChEMBL_2215335 (CHEMBL5128467)	Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 5 mins by spectrophotometric based Ellman's method
50016452	39	ChEMBL_2215336 (CHEMBL5128468)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition and measured for 12 mins by DTNB reagent based Ellman's method
50016452	40	ChEMBL_2215338 (CHEMBL5128470)	Inhibition of human BACE-1 using Rh-EVNLDAEFK-quencher as peptide substrate incubated for 1 hr in dark by FRET assay
50016452	41	ChEMBL_2215339 (CHEMBL5128471)	Inhibition of recombinant human BACE-1 using MCA-SEVNLDAEFR-Ednp-KRR-NH2.3TFA as substrate incubated for 2 hrs by Varioskan-flash multimode plate reader analysis
50016452	42	ChEMBL_2215343 (CHEMBL5128475)	Inhibition of Electrophorus electricus AchE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured for 6 mins by DTNB reagent based Ellman's method
50016452	43	ChEMBL_2215344 (CHEMBL5128476)	Inhibition of FAAH (unknown origin) using 7-amino-4-methylcoumarin-arachidonamide as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016452	44	ChEMBL_2215345 (CHEMBL5128477)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Amplex Red reagent based fluorometric analysis
50016453	1	ChEMBL_2215376 (CHEMBL5128508)	Inhibition of GST-tagged SIRT5 (unknown origin) incubated for 10 mins by HPLC based analysis
50016453	2	ChEMBL_2215377 (CHEMBL5128509)	Inhibition of SIRT5 (unknown origin)
50016453	3	ChEMBL_2215378 (CHEMBL5128510)	Inhibition of SIRT1 (unknown origin)
50016453	4	ChEMBL_2215379 (CHEMBL5128511)	Inhibition of SIRT2 (unknown origin)
50016453	5	ChEMBL_2215380 (CHEMBL5128512)	Inhibition of SIRT3 (unknown origin)
50016453	6	ChEMBL_2215381 (CHEMBL5128513)	Inhibition of GST-tagged SIRT5 (unknown origin) incubated for 5 mins by HPLC based analysis
50016453	7	ChEMBL_2215382 (CHEMBL5128514)	Inhibition of recombinant SIRT5 (34 to 302 residues) (unknown origin)
50016453	8	ChEMBL_2215383 (CHEMBL5128515)	Inhibition of human recombinant SIRT5 using Benzyl-Lys(succinyl)-AMC as substrate incubated for 2 hrs by fluorescence based assay
50016453	9	ChEMBL_2215386 (CHEMBL5128518)	Inhibition of human SIRT3 (118 to 399 aa) expressed in Escherichia coli BL21 cells
50016453	10	ChEMBL_2215387 (CHEMBL5128519)	Inhibition of human N-terminal His6 tagged SIRT1 (183-505-(GGGS)2-641-665 residues) expressed in Escherichia coli BL21 cells
50016455	1	ChEMBL_2215477 (CHEMBL5128609)	Antagonist activity at adenosine A2A receptor (unknown origin)
50016455	2	ChEMBL_2215478 (CHEMBL5128610)	Antagonist activity at adenosine A1 receptor (unknown origin)
50016455	3	ChEMBL_2215479 (CHEMBL5128611)	Antagonist activity at human adenosine A2A receptor
50016455	4	ChEMBL_2215480 (CHEMBL5128612)	Antagonist activity at human adenosine A1 receptor
50016455	5	ChEMBL_2215481 (CHEMBL5128613)	Antagonist activity at rat adenosine A2A receptor
50016455	6	ChEMBL_2215487 (CHEMBL5128619)	Antagonist activity at rat adenosine A1 receptor
50016455	7	ChEMBL_2215488 (CHEMBL5128620)	Agonist activity at dopamine D2 receptor (unknown origin)
50016455	8	ChEMBL_2215489 (CHEMBL5128621)	Agonist activity at dopamine D3 receptor (unknown origin)
50016455	9	ChEMBL_2215490 (CHEMBL5128622)	Agonist activity at dopamine D1 receptor (unknown origin)
50016455	10	ChEMBL_2215493 (CHEMBL5128625)	Agonist activity at human D1 receptor stably expressed in HEK293 cells assessed as induction of cAMP accumulation by HTRF assay
50016455	11	ChEMBL_2215497 (CHEMBL5128629)	Inhibition of human MAO-B
50016455	12	ChEMBL_2215503 (CHEMBL5128635)	Agonist activity at human mGlu4 receptor assessed as increase in calcium flux by Fluo-4 AM dye based analysis
50016455	13	ChEMBL_2215504 (CHEMBL5128636)	Agonist activity at human mGlu4 receptor assessed as increase in calcium flux
50016455	14	ChEMBL_2215508 (CHEMBL5128640)	Agonist activity at human D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation counting method
50016455	15	ChEMBL_2215509 (CHEMBL5128641)	Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by liquid scintillation counting method
50016455	16	ChEMBL_2215510 (CHEMBL5128642)	Inhibition of Voltage-dependent T-type calcium channel (unknown origin) by HTS assay
50016455	17	ChEMBL_2215515 (CHEMBL5128647)	Agonist activity at dopamine D2 receptor (unknown origin) assessed as increase in GTPgammaS binding
50016455	18	ChEMBL_2215516 (CHEMBL5128648)	Agonist activity at dopamine D3 receptor (unknown origin) assessed as increase in GTPgammaS binding
50016457	1	ChEMBL_2215519 (CHEMBL5128651)	Inhibition of PAX3-FOXO1 driven transcriptional activity in human Rh4 cells transfected with ALK-Luc construct incubated for 24 hrs by luciferase assay
50016460	1	ChEMBL_2215548 (CHEMBL5128680)	Inhibition of AChE (unknown origin) by spectrophotometric based Ellman's method
50016460	2	ChEMBL_2215549 (CHEMBL5128681)	Inhibition of human recombinant PDE5A1 using FAM-cGMP as substrate incubated for 60 mins by fluorescence polarization method
50016460	3	ChEMBL_2215550 (CHEMBL5128682)	Inhibition of human recombinant PDE3A using FAM-cAMP as substrate incubated for 60 mins by fluorescence polarization method
50016463	1	ChEMBL_2215551 (CHEMBL5128683)	Inhibition of ABCG2 (unknown origin) by microplate reader analysis
50016463	2	ChEMBL_2215552 (CHEMBL5128684)	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux by flow cytometry
50016463	3	ChEMBL_2215553 (CHEMBL5128685)	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux and measured after 60 mins using pheophorbide A as fluorescent substrate by flow cytometry
50016463	4	ChEMBL_2215554 (CHEMBL5128686)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293-A cells membrane vesicles assessed inhibition of ABCG2-mediated urate transport activity by rapid filtration technique
50016463	5	ChEMBL_2215555 (CHEMBL5128687)	Inhibition of human ABCG2 expressed in human SAOS-2 cells mediated mitoxantrone efflux using mitoxantrone as substrate by flow cytometry
50016463	6	ChEMBL_2215556 (CHEMBL5128688)	Inhibition of ABCG2 (unknown origin) expressed in dog MDCK-II-BCRP cells incubated for 120 mins by transwell migration assay
50016463	7	ChEMBL_2215557 (CHEMBL5128689)	Inhibition of ABCG2 (unknown origin) expressed human PC-6/SN2-5 cells membrane vesicle mediated topotecan transport by HPLC analysis
50016463	8	ChEMBL_2215558 (CHEMBL5128690)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 1 mins using [3H]-estrone sulfate as substrate by liquid scintillation counter analysis
50016463	9	ChEMBL_2215559 (CHEMBL5128691)	Inhibition of ABCG2 (unknown origin) expressed in human HEK cells membrane vesicle assessed as inhibition of BCRP- mediated transport of [3H]-E3S using [3H]-oestrone 3-sulfate as radiolabeled substrate by liquid scintillation counter analysis
50016463	10	ChEMBL_2215560 (CHEMBL5128692)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 1 mins using [3H]-estrone sulfate as substrate by rapid filtration technique
50016463	11	ChEMBL_2215561 (CHEMBL5128693)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7/MX cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level preincubated with mitoxantrone followed by compound addition and measured upto 90 mins by FACSflow cytometry analysis
50016463	12	ChEMBL_2215562 (CHEMBL5128694)	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and measured after 60 mins by flow cytometry
50016463	13	ChEMBL_2215563 (CHEMBL5128695)	Inhibition of human ABCG2 expressed in human HEK293 cells mediated pheophorbide A efflux and measured after 90 mins by FACSflow cytometry
50016463	14	ChEMBL_2215564 (CHEMBL5128696)	Inhibition of ABCG2 (unknown origin) expressed in human K562 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 10 mins using 3[H]-estrone 3-sulfate as substrate by liquid scintillation counter analysis
50016463	15	ChEMBL_2215565 (CHEMBL5128697)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level preincubated with mitoxantrone followed by compound addition and measured upto 60 mins by FACSflow cytometry analysis
50016463	16	ChEMBL_2215566 (CHEMBL5128698)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 1 to 5 mins using [3H]-estrone sulfate as substrate by rapid filtration technique
50016463	17	ChEMBL_2215567 (CHEMBL5128699)	Inhibition of human ABCG2 expressed in human HEK293 cells membrane vesicles mediated transport of 3[H]-MTX for 2 mins using [3H]-methotrexate as substrate by rapid filtration technique
50016463	18	ChEMBL_2215568 (CHEMBL5128700)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells assessed as reversal of BCRP-mediated mitoxantrone resistance and measured after 90 mins by FACSflow cytometry analysis
50016463	19	ChEMBL_2215569 (CHEMBL5128701)	Inhibition of human ABCG2 expressed in human HEK293 cells mediated pheophorbide A efflux assessed as intracellular pheophorbide A accumulation for 45 mins by FACSort flow cytometry
50016463	20	ChEMBL_2215570 (CHEMBL5128702)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7/MX cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level and measured after 30 mins by FACSflow cytometry analysis
50016463	21	ChEMBL_2215571 (CHEMBL5128703)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level and measured after 30 mins by FACSflow cytometry analysis
50016463	22	ChEMBL_2215572 (CHEMBL5128704)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7-VP cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level and measured after 45 mins by flow cytometry analysis
50016463	23	ChEMBL_2215573 (CHEMBL5128705)	Inhibition of ABCG2 (unknown origin) expressed in dog MDCK-II-BCRP cells assessed as Hoechst 33342 accumulation using Hoechst 33342 as substrate by microplate reader analysis
50016463	24	ChEMBL_2215574 (CHEMBL5128706)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells assessed as BODIPY-Prazosin uptake and measured after 2 hrs by FACScan flow cytometry analysis
50016463	25	ChEMBL_2215575 (CHEMBL5128707)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated pheophorbide A efflux and measured after 90 mins by FACSflow cytometry
50016463	26	ChEMBL_2215576 (CHEMBL5128708)	Inhibition of ABCG2 (unknown origin) expressed in human NCI-H460 cells mediated pheophorbide A efflux for 2 to 20 hr by fluorescence plate reader analysis
50016463	27	ChEMBL_2215577 (CHEMBL5128709)	Inhibition of ABCG2 (unknown origin) by flow cytometry
50016463	28	ChEMBL_2215578 (CHEMBL5128710)	Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells membrane vesicles mediated transport of 3[H]-methotrexate for 5 mins using [3H]-methotrexate as substrate by radiometric scintillation analysis
50016463	29	ChEMBL_2215579 (CHEMBL5128711)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated efflux by flow cytometry
50016463	30	ChEMBL_2215580 (CHEMBL5128712)	Inhibition of ABCG2 (unknown origin) expressed in human K562 cells assessed as extrusion of Hoechst 33342 using Hoechst 33342 as substrate by flow cytometry
50016463	31	ChEMBL_2215581 (CHEMBL5128713)	Inhibition of human ABCG2 expressing membrane vesicles assessed inhibition of BCRP- mediated transport of [3H]estrone 3-sulfate for 2 mins using [3H]-estrone sulfate as substrate by radiometric scintillation analysis
50016463	32	ChEMBL_2215582 (CHEMBL5128714)	Inhibition of ABCG2 (unknown origin) expressing human PC-6/SN2-5 cells assessed as increase in topotecan accumulation for 15 mins by flow cytometry
50016463	33	ChEMBL_2215583 (CHEMBL5128715)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7 cells membrane mediated [125I]iodoarylazidoprazosin photolabelling for 5 mins followed by UV light irradiation for 10 mins by radiometric scintillation analysis
50016463	34	ChEMBL_2215584 (CHEMBL5128716)	Inhibition of human ABCG2 expressed in human HEK293 cells membrane vesicles mediated transport of 3[H]-MTX for 1 hr using [3H]-methotrexate as substrate by rapid filtration technique
50016463	35	ChEMBL_2215585 (CHEMBL5128717)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7 cells membrane mediated [125I]iodoarylazidoprazosin photolabelling for 5 mins by radiometric scintillation analysis
50016463	36	ChEMBL_2215586 (CHEMBL5128718)	Inhibition of ABCG2 (unknown origin) expressed in human S1M180 cells mediated [3H]-mitoxantrone efflux assessed as intracellular [3H]-mitoxantrone level by flow cytometry
50016463	37	ChEMBL_2215587 (CHEMBL5128719)	Inhibition of ABCG2 (unknown origin) expressed in human SAOS-2 cells mediated Hoechst 33342 efflux preincubated with compound for 15 mins followed by substrate addition and measured after 45 mins using Hoechst 33342 as substrate by flow cytometry
50016463	38	ChEMBL_2215588 (CHEMBL5128720)	Inhibition of ABCG2 (unknown origin) expressed in human S1M180 cells assessed as intracellular accumulation of rhodamine 123 using rhodamine 123 as substrate by flow cytometry
50016463	39	ChEMBL_2215589 (CHEMBL5128721)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7 cells membrane mediated [125I]iodoarylazidoprazosin photolabelling for 10 mins followed by UV light irradiation for 10 mins by radiometric scintillation analysis
50016463	40	ChEMBL_2215590 (CHEMBL5128722)	Inhibition of ABCG2 (unknown origin) expressed in human MCF7/MX100 cells assessed as BODIPY-Prazosin uptake and preincubated with substrate followed by compound addition and measured after 1 hrs by flow cytometry analysis
50016463	41	ChEMBL_2215591 (CHEMBL5128723)	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated irinotecan efflux assessed as intracellular irinotecan accumulation for 60 mins by HPLC MS/MS analysis
50016464	1	ChEMBL_2215592 (CHEMBL5128724)	Inhibition of porcine pancreatic lipase using trioleate as substrate assessed as inhibition of substrate hydrolysis measured for 10 mins
50016464	2	ChEMBL_2215597 (CHEMBL5128729)	Binding affinity to recombinant GFP fused Dalt (unknown origin) by Lip-SMap analysis
50016464	3	ChEMBL_2215598 (CHEMBL5128730)	Binding affinity to recombinant human TrkB receptor ECD assessed as dissociation constant
50016464	4	ChEMBL_2215599 (CHEMBL5128731)	Inhibition of PI3Kalpha (unknown origin) by ADP-Glo kinase assay
50016465	1	ChEMBL_2215655 (CHEMBL5128787)	Inhibition of 11beta-HSD1 (unknown origin)
50016465	2	ChEMBL_2215656 (CHEMBL5128788)	Inhibition of human 11beta-HSD2
50016465	3	ChEMBL_2215657 (CHEMBL5128789)	Inhibition of human 11beta-HSD1
50016465	4	ChEMBL_2215658 (CHEMBL5128790)	Inhibition of mouse 11beta-HSD1
50016465	5	ChEMBL_2215659 (CHEMBL5128791)	Inhibition of human11beta-HSD1 in human PBMC cells
50016465	6	ChEMBL_2215661 (CHEMBL5128793)	Inhibition of CYP2D6 (unknown origin)
50016467	1	ChEMBL_2215709 (CHEMBL5128841)	Inhibition of non-enzymatic glycation in hemoglobin (unknown origin) by spectrophotometric analysis
50016468	1	ChEMBL_2215719 (CHEMBL5128851)	Inhibition of CK2 (unknown origin)
50016470	1	ChEMBL_2215743 (CHEMBL5128875)	Inhibition of HDAC1 (unknown origin)
50016470	2	ChEMBL_2215744 (CHEMBL5128876)	Inhibition of HDAC2 (unknown origin)
50016470	3	ChEMBL_2215745 (CHEMBL5128877)	Inhibition of HDAC3 (unknown origin)
50016470	4	ChEMBL_2215746 (CHEMBL5128878)	Inhibition of HDAC4 (unknown origin)
50016470	5	ChEMBL_2215747 (CHEMBL5128879)	Inhibition of HDAC5 (unknown origin)
50016470	6	ChEMBL_2215748 (CHEMBL5128880)	Inhibition of HDAC6 (unknown origin)
50016470	7	ChEMBL_2215749 (CHEMBL5128881)	Inhibition of HDAC7 (unknown origin)
50016470	8	ChEMBL_2215750 (CHEMBL5128882)	Inhibition of HDAC8 (unknown origin)
50016470	9	ChEMBL_2215751 (CHEMBL5128883)	Inhibition of HDAC9 (unknown origin)
50016470	10	ChEMBL_2215752 (CHEMBL5128884)	Inhibition of HDAC10 (unknown origin)
50016470	11	ChEMBL_2215753 (CHEMBL5128885)	Inhibition of HDAC11 (unknown origin)
50016470	12	ChEMBL_2215761 (CHEMBL5128893)	Inhibition of HDAC1 (unknown origin) preincubated for 5 mins
50016470	13	ChEMBL_2215762 (CHEMBL5128894)	Inhibition of HDAC1 (unknown origin) preincubated for 30 mins
50016470	14	ChEMBL_2215763 (CHEMBL5128895)	Inhibition of HDAC1 (unknown origin) preincubated for 60 mins
50016470	15	ChEMBL_2215764 (CHEMBL5128896)	Inhibition of HDAC1 (unknown origin) preincubated for 90 mins
50016470	16	ChEMBL_2215765 (CHEMBL5128897)	Inhibition of HDAC1 (unknown origin) preincubated for 120 mins
50016470	17	ChEMBL_2215766 (CHEMBL5128898)	Inhibition of HDAC2 (unknown origin) preincubated for 5 mins
50016470	18	ChEMBL_2215767 (CHEMBL5128899)	Inhibition of HDAC2 (unknown origin) preincubated for 30 mins
50016470	19	ChEMBL_2215768 (CHEMBL5128900)	Inhibition of HDAC2 (unknown origin) preincubated for 60 mins
50016470	20	ChEMBL_2215769 (CHEMBL5128901)	Inhibition of HDAC2 (unknown origin) preincubated for 90 mins
50016470	21	ChEMBL_2215770 (CHEMBL5128902)	Inhibition of HDAC2 (unknown origin) preincubated for 120 mins
50016470	22	ChEMBL_2215771 (CHEMBL5128903)	Inhibition of HDAC3 (unknown origin) preincubated for 5 mins
50016470	23	ChEMBL_2215772 (CHEMBL5128904)	Inhibition of HDAC3 (unknown origin) preincubated for 30 mins
50016470	24	ChEMBL_2215773 (CHEMBL5128905)	Inhibition of HDAC3 (unknown origin) preincubated for 60 mins
50016470	25	ChEMBL_2215774 (CHEMBL5128906)	Inhibition of HDAC3 (unknown origin) preincubated for 90 mins
50016470	26	ChEMBL_2215775 (CHEMBL5128907)	Inhibition of HDAC3 (unknown origin) preincubated for 120 mins
50016472	1	ChEMBL_2215799 (CHEMBL5128931)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) assessed as inhibition constant (Ki) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	2	ChEMBL_2215800 (CHEMBL5128932)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) assessed as inhibition constant (Ki) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	3	ChEMBL_2215801 (CHEMBL5128933)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) assessed as inhibition constant (Ki) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	4	ChEMBL_2215802 (CHEMBL5128934)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) assessed as equilibrium inhibition constant (Ki,1) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	5	ChEMBL_2215803 (CHEMBL5128935)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) assessed as equilibrium inhibition constant (Ki,1) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	6	ChEMBL_2215804 (CHEMBL5128936)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) assessed as equilibrium inhibition constant (Ki,1) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	7	ChEMBL_2215807 (CHEMBL5128939)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) assessed as rate constant (k-2) of EI complex using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured every 30 sec for 60 mins by fluorescence based assay
50016472	8	ChEMBL_2215811 (CHEMBL5128943)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) assessed as apparent inhibition constant using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 0.5 to 2 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	9	ChEMBL_2215812 (CHEMBL5128944)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) assessed as apparent inhibition constant using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 0.5 to 2 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	10	ChEMBL_2215813 (CHEMBL5128945)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50016472	11	ChEMBL_2215814 (CHEMBL5128946)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	12	ChEMBL_2215815 (CHEMBL5128947)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 1 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	13	ChEMBL_2215816 (CHEMBL5128948)	Inhibition of full length C-terminal His-tagged HDAC1 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 2 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	14	ChEMBL_2215817 (CHEMBL5128949)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50016472	15	ChEMBL_2215818 (CHEMBL5128950)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	16	ChEMBL_2215819 (CHEMBL5128951)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 1 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	17	ChEMBL_2215820 (CHEMBL5128952)	Inhibition of full length C-terminal FLAG-tagged HDAC2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 2 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	18	ChEMBL_2215821 (CHEMBL5128953)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50016472	19	ChEMBL_2215822 (CHEMBL5128954)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	20	ChEMBL_2215823 (CHEMBL5128955)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 1 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	21	ChEMBL_2215824 (CHEMBL5128956)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 2 hrs followed by substrate addition and measured after 30 mins by fluorescence based assay
50016472	22	ChEMBL_2215842 (CHEMBL5128974)	Inhibition of full length C-terminal His-tagged HDAC3 (unknown origin)/N-terminal GST-tagged NCoR2 (unknown origin) assessed as inhibition constant of EI complex in the first binding step using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate in the presence of inositol hexa phosphate by fluorescence based assay
50016472	23	ChEMBL_2215844 (CHEMBL5128976)	Inhibition of recombinant human HDAC3 preincubated with enzyme for 2 hrs followed by substrate addition
50016474	1	ChEMBL_2215848 (CHEMBL5128980)	Inhibition of N-terminal His-TEV-V5 tagged human Mdo2 (7 to 243 residues) expressed in Escherichia coli BL21 (DE3) using BIO-6His tagged linker peptide as substrate by Alphascreen assay
50016474	2	ChEMBL_2215855 (CHEMBL5128987)	Inhibition of human Mdo2
50016475	1	ChEMBL_2215868 (CHEMBL5129000)	Binding affinity to CDK2 (unknown origin)
50016478	1	ChEMBL_2215872 (CHEMBL5129004)	Inhibition of sEH (unknown origin)
50016479	1	ChEMBL_2215925 (CHEMBL5129057)	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 assay
50016479	2	ChEMBL_2215926 (CHEMBL5129058)	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 assay
50016479	3	ChEMBL_2215927 (CHEMBL5129059)	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 assay
50016479	4	ChEMBL_2215928 (CHEMBL5129060)	Inhibition of human carbonic anhydrase 12 by stopped flow CO2 assay
50016480	1	ChEMBL_2215971 (CHEMBL5129103)	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by microplate reader analysis
50016480	2	ChEMBL_2215973 (CHEMBL5129105)	Inhibition of alpha-glucosidase (unknown origin) assessed as inhibition constant incubated for 15 mins by dixon plot analysis
50016480	3	ChEMBL_2215976 (CHEMBL5129108)	Binding affinity to SARS-CoV-2 spike protein receptor-binding domain assessed as equilibrium dissociation constant by biolayer interferometry assay
50016480	4	ChEMBL_2215977 (CHEMBL5129109)	Binding affinity to human ACE2 assessed as equilibrium dissociation constant by biolayer interferometry assay
50016481	1	ChEMBL_2215982 (CHEMBL5129114)	Inhibition of EGFR (unknown origin) assessed as kinase activity by measuring ATP remaining for 40 mins in presence of ATP by Kinase-Glo Plus luminescence kinase assay
50016483	1	ChEMBL_2216012 (CHEMBL5129144)	Inhibition of human DPP3 using Arg-Arg-2-naphthylamide as substrate assessed as reduction in release of 2-naphthylamine preincubated for 10 mins followed by substrate addition and measured for 30 mins by fluorescence based analysis
50016483	2	ChEMBL_2216013 (CHEMBL5129145)	Competitive inhibition of DPP3 (unknown origin) using Arg-Arg-2-naphthylamide as substrate
50016483	3	ChEMBL_2216014 (CHEMBL5129146)	Inhibition of DPP3 (unknown origin)
50016484	1	ChEMBL_2216026 (CHEMBL5129158)	Inhibition of recombinant human carbonic anhydrase 1 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50016484	2	ChEMBL_2216027 (CHEMBL5129159)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50016484	3	ChEMBL_2216028 (CHEMBL5129160)	Inhibition of recombinant human carbonic anhydrase 9 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50016484	4	ChEMBL_2216029 (CHEMBL5129161)	Inhibition of recombinant human carbonic anhydrase 12 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50016484	5	ChEMBL_2216032 (CHEMBL5129164)	Inhibition of VEGFR2 (unknown origin) using poly[Glu:Tyr] (4:1) as substrate incubated for 45 mins by kinase-glo max reagent based luminescence analysis
50016485	1	ChEMBL_2216049 (CHEMBL5129181)	Inhibition of pig brain tubulin polymerization incubated for 19 mins by spectrophotometric method
50016487	1	ChEMBL_2216154 (CHEMBL5129286)	Inhibition of human TRPC5 channel expressed in HEK293 cells assessed as inhibition of EA-evoked Calcium influx by measuring reduction in intracellular Ca2+ level and measured upto 360 sec by Fluo-4/AM dye based FLIPR assay
50016487	2	ChEMBL_2216155 (CHEMBL5129287)	Inhibition of human TRPC4 channel expressed in HEK293 cells assessed as inhibition of EA-evoked Calcium influx by measuring reduction in intracellular Ca2+ level and measured upto 360 sec by Fluo-4/AM dye based FLIPR assay
50016488	1	ChEMBL_2216171 (CHEMBL5129303)	Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by inverted fluorescence microscopic analysis
50016488	2	ChEMBL_2216173 (CHEMBL5129305)	Inhibition of amyloid beta 1 to 42 aggregation (unknown origin) incubated for 24 hrs by ThT fluorescence assay
50016489	1	ChEMBL_2216192 (CHEMBL5129324)	Binding affinity to HDAC8 (unknown origin) by biolayer interferometry assay
50016489	2	ChEMBL_2216193 (CHEMBL5129325)	Binding affinity to HDAC1 (unknown origin) by biolayer interferometry assay
50016489	3	ChEMBL_2216194 (CHEMBL5129326)	Binding affinity to HDAC6 (unknown origin) by biolayer interferometry assay
50016492	1	ChEMBL_2216210 (CHEMBL5129342)	Binding affinity to human MMP-1 catalytic domain (100 to 269 residues) expressed in Escherichia coli BL21 Star (DE3) by SPR analysis
50016494	1	ChEMBL_2216225 (CHEMBL5129357)	Displacement of [3H]-CGP12,177 from immobilized Halo tag-fused beta2 adrenoceptor (unknown origin) expressed in Escherichia coli BL21 (DE3)
50016497	1	ChEMBL_2216353 (CHEMBL5129485)	Inhibition of human recombinant Enteropeptidase assessed as inhibition based on initial velocity using 5FAM-Abu-Gly-Asp -Asp-Asp -Lys-Ile-Val-Gly-Gly-Lys-(CPQ2)-Lys-Lys-NH2 as substrate incubated for 6 mins by fluorescence based plate reader method
50016497	2	ChEMBL_2216354 (CHEMBL5129486)	Inhibition of human recombinant Enteropeptidase assessed as inhibition based on steady state using 5FAM-Abu-Gly-Asp -Asp-Asp -Lys-Ile-Val-Gly-Gly-Lys-(CPQ2)-Lys-Lys-NH2 as substrate incubated for 120 mins by fluorescence based plate reader method
50016499	1	ChEMBL_2216379 (CHEMBL5129511)	Inhibition of hERG incubated for 2 hrs by fluorescence polarization based assay
50016499	2	ChEMBL_2216385 (CHEMBL5129517)	Inhibition of human CYP3A4 in pooled human liver microsomes using nifedipine as substrate incubated for 10 mins in the presence of NADP
50016500	1	ChEMBL_2216386 (CHEMBL5129518)	Inhibition of human EGFR (669 to 1210 residues) cytoplasmic domain expressed in baculovirus infected Sf21 cells incubated for 1 hrs in the presence of ATP by mobility shift assay
50016500	2	ChEMBL_2216387 (CHEMBL5129519)	Inhibition of N-terminal GST-tagged human ceritinib-resistant ALK L1196M mutant (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus infected Sf21 cells incubated for 1 hrs in the presence of ATP by mobility shift assay
50016500	3	ChEMBL_2216392 (CHEMBL5129524)	Inhibition of N-terminal GST-tagged human wild type ALK (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus infected Sf21 cells incubated for 1 hrs in the presence of ATP by mobility shift assay
50016500	4	ChEMBL_2216393 (CHEMBL5129525)	Inhibition of N-terminal GST-tagged human ceritinib-resistant ALK G1202R mutant (1058 to 1620 residues) cytoplasmic domain expressed in baculovirus infected Sf21 cells incubated for 1 hrs in the presence of ATP by mobility shift assay
50016501	1	ChEMBL_2216480 (CHEMBL5129612)	Inhibition of NFATC activity in HEK293T cells preincubated for 2 hrs followed by ionomycin/phorbol 12-myristate 13-acetate stimulation and measured after 4 hrs by luciferase reporter assay
50016504	1	ChEMBL_2216499 (CHEMBL5129631)	Binding affinity to PPARgamma LBD (unknown origin) assessed as dissociation constant followed by heating for 3 mins by Bradford assay
50016504	2	ChEMBL_2216501 (CHEMBL5129633)	Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in FITC-labeled PGC-1alpha coactivator peptide recruitment by HTRF assay
50016504	3	ChEMBL_2216502 (CHEMBL5129634)	Binding affinity to PPARgamma LBD (unknown origin) using FITC-labeled PGC-1alpha peptide in presence of 10 nM of rosiglitazone by HTRF based competitive binding assay
50016504	4	ChEMBL_2216503 (CHEMBL5129635)	Binding affinity to PPARgamma LBD (unknown origin) using FITC-labeled PGC-1alpha peptide in presence of 1 uM of rosiglitazone by HTRF based competitive binding assay
50016504	5	ChEMBL_2216504 (CHEMBL5129636)	Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant in presence of 10 nM of rosiglitazone by HTRF based competitive binding assay
50016504	6	ChEMBL_2216505 (CHEMBL5129637)	Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant in presence of 1 uM of rosiglitazone by HTRF based competitive binding assay
50016504	7	ChEMBL_2216509 (CHEMBL5129641)	Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in FITC-labeled PGC-1alpha coactivator peptide recruitment in presence of GW9662 by HTRF assay
50016504	8	ChEMBL_2216511 (CHEMBL5129643)	Partial agonist activity at RORgammat (unknown origin) assessed as increase in FITC-labeled SRC1B2 peptide recruitment by HTRF assay
50016504	9	ChEMBL_2216514 (CHEMBL5129646)	Binding affinity to PPARgamma LBD (unknown origin) assessed as inhibition constant by HTRF based competitive binding assay
50016505	1	ChEMBL_2216518 (CHEMBL5129650)	Inhibition of human SIRT1 using fluorogenic ZMAL as substrate incubated for 4 hrs in the presence of beta-NAD+ as cofactor by fluorescence based microplate reader analysis
50016505	2	ChEMBL_2216522 (CHEMBL5129654)	Inhibition of human SIRT2 using fluorogenic ZMAL as substrate incubated for 4 hrs in the presence of beta-NAD+ as cofactor by fluorescence based microplate reader analysis
50016506	1	ChEMBL_2216552 (CHEMBL5129684)	Inhibition of human G9a (913 to 1193 residues) using H3 peptide as substrate measured upto 45 mins in presence of SAM cofactor
50016506	2	ChEMBL_2216553 (CHEMBL5129685)	Inhibition of human GLP (982 to 1266 residues) using H3 peptide as substrate measured upto 45 mins in presence of SAM cofactor
50016506	3	ChEMBL_2216554 (CHEMBL5129686)	Binding affinity to human GLP (982 to 1266 residues) assessed as dissociation constant by isothermal titration calorimetry method
50016506	4	ChEMBL_2216555 (CHEMBL5129687)	Binding affinity to human G9a (913 to 1193 residues) assessed as dissociation constant by isothermal titration calorimetry method
50016506	5	ChEMBL_2216556 (CHEMBL5129688)	Binding affinity to human G9a (913 to 1193 residues) assessed as dissociation constant measured after 1 hr by isothermal titration calorimetry method
50016506	6	ChEMBL_2216557 (CHEMBL5129689)	Binding affinity to human GLP (982 to 1266 residues) assessed as dissociation constant measured after 1 hr by isothermal titration calorimetry method
50016506	7	ChEMBL_2216585 (CHEMBL5129717)	Inhibition of human G9a (913 to 1193 residues) using H3 peptide substrate preincubated for 5 mins followed by SAM addition measured after 10 mins by SAHH-coupled biochemical assay
50016506	8	ChEMBL_2216586 (CHEMBL5129718)	Inhibition of human GLP (982 to 1266 residues) using H3 peptide substrate preincubated for 5 mins followed by SAM addition measured after 10 mins by SAHH-coupled biochemical assay
50016511	1	ChEMBL_2216591 (CHEMBL5129723)	Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay
50016511	2	ChEMBL_2216592 (CHEMBL5129724)	Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance assay
50016511	3	ChEMBL_2216593 (CHEMBL5129725)	Binding affinity to human wild type adenosine A1 receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay
50016511	4	ChEMBL_2216596 (CHEMBL5129728)	Binding affinity to human wild type adenosine A1 receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance assay
50016511	5	ChEMBL_2216597 (CHEMBL5129729)	Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F cells assessed as affinity on-rate by surface plasmon resonance assay
50016511	6	ChEMBL_2216598 (CHEMBL5129730)	Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F cells assessed as affinity off-rate by surface plasmon resonance assay
50016511	7	ChEMBL_2216599 (CHEMBL5129731)	Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay
50016511	8	ChEMBL_2216600 (CHEMBL5129732)	Binding affinity to human wild type adenosine A2B receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance assay
50016511	9	ChEMBL_2216603 (CHEMBL5129735)	Binding affinity to human wild type adenosine A3 receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay
50016511	10	ChEMBL_2216604 (CHEMBL5129736)	Binding affinity to human wild type adenosine A3 receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance assay
50016511	11	ChEMBL_2216605 (CHEMBL5129737)	Inhibition of recombinant human GSKalpha
50016511	12	ChEMBL_2216614 (CHEMBL5129746)	Antagonist activity at human adenosine A2A receptor expressed in HEK293T cells assessed as inhibition of NECA-induced Gs short protein activation by TRUPATH assay
50016512	1	ChEMBL_2216615 (CHEMBL5129747)	Inhibition of recombinant full length human PLK1 using casein as substrate incubated for 40 mins in the presence of [gamma33P]ATP at Km concentration by radiometric scintillation counting method
50016512	2	ChEMBL_2216616 (CHEMBL5129748)	Inhibition of recombinant human PLK2 (65 to 409 resiudes) using casein as substrate incubated for 40 mins in the presence of [gamma33P]ATP at Km concentration by radiometric scintillation counting method
50016512	3	ChEMBL_2216618 (CHEMBL5129750)	Binding affinity to His6/TEV fused recombinant human BRD4 expressed in bacteria assessed as dissociation constant by isothermal titration calorimetry assay
50016512	4	ChEMBL_2216620 (CHEMBL5129752)	Inhibition of human PLK1 in the presence of ATP
50016512	5	ChEMBL_2216621 (CHEMBL5129753)	Inhibition of human Wee1 in the presence of ATP
50016512	6	ChEMBL_2216622 (CHEMBL5129754)	Inhibition of PLK1 (unknown origin) in the presence of ATP by ADP-Glo-kinase assay
50016512	7	ChEMBL_2216623 (CHEMBL5129755)	Inhibition of PLK2 (unknown origin) in the presence of ATP by ADP-Glo-kinase assay
50016512	8	ChEMBL_2216624 (CHEMBL5129756)	Inhibition of PLK3 (unknown origin) in the presence of ATP by ADP-Glo-kinase assay
50016512	9	ChEMBL_2216625 (CHEMBL5129757)	Inhibition of PLK1 T210D mutant kinase domain (unknown origin) using casein as substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins in the presence of ATP by ADP-Glo kinase assay
50016512	10	ChEMBL_2216626 (CHEMBL5129758)	Inhibition of PLK1 in thymidine synchronized human HeLa cells using casein as substrate preincubated with compound for 13 hrs followed by substrate addition and measured after 12 to 36 hrs in the presence of [gamma33P]ATP by autoradiography based Western blot analysis
50016512	11	ChEMBL_2216630 (CHEMBL5129762)	Inhibition of biotin labelled PoloBoxtide binding to GST/His-fused full length PLK1 (unknown origin) expressed in baculovirus infected Sf9 cells
50016512	12	ChEMBL_2216640 (CHEMBL5129772)	Inhibition of biotinylated p-T78 peptide binding to human HA-EGFP-PLK1 expressed in HEK293-A cells using TMB as substrate incubated for 1 hrs by ELISA plate reader based analysis
50016512	13	ChEMBL_2216641 (CHEMBL5129773)	Competitive inhibition of 5-carboxyfluorescein-GPMQSpTPLNQ-OH binding to PLK1 PBD (371 to 603 residues) (unknown origin) incubated for 60 mins by fluorescence polarization assay
50016512	14	ChEMBL_2216642 (CHEMBL5129774)	Inhibition of Myc-tagged PLK1 PBD (unknown origin) expressed in HEK293T cells using 5CF-GPMQSpTPLNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	15	ChEMBL_2216643 (CHEMBL5129775)	Inhibition of Myc-tagged PLK2 PBD (unknown origin) expressed in HEK293T cells using 5CF-GPMQTSpTPKNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	16	ChEMBL_2216644 (CHEMBL5129776)	Inhibition of Myc-tagged PLK3 PBD (unknown origin) expressed in HEK293T cells using 5CF-PLATSpTPKNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	17	ChEMBL_2216645 (CHEMBL5129777)	Inhibition of PLK1 PBD (unknown origin) using 5CF-GPMQSpTPLNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	18	ChEMBL_2216646 (CHEMBL5129778)	Inhibition of PLK2 PBD (unknown origin) using 5CF-GPMQTSpTPKNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	19	ChEMBL_2216647 (CHEMBL5129779)	Inhibition of PLK3 PBD (unknown origin) using 5CF-PLATSpTPKNG-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence polarization assay
50016512	20	ChEMBL_2216648 (CHEMBL5129780)	Inhibition of 5-carboxyfluoresceinGPMQSpTPLNG-OH peptide binding to human PLK1 (326 to 603 residues) PBD expressed in Rosetta BL21 (DE3) cells preincubated for 1 hrs with compound followed by peptide addition and measured immediately by fluorescence polarization assay
50016512	21	ChEMBL_2216649 (CHEMBL5129781)	Inhibition of 5-carboxyfluorescein-GPMQTSpTPKNG-OH peptide binding to C-terminal 6His-tagged human PLK2 (355 to 685 residues) PBD expressed in Rosetta BL21 (DE3) cells preincubated for 1 hrs with compound followed by peptide addition and measured immediately by fluorescence polarization assay
50016512	22	ChEMBL_2216650 (CHEMBL5129782)	Inhibition of 5-carboxyfluorescein-GPLATSpTPKNG-OH peptide binding to N-terminal MBP-tagged human PLK3 (335 to 646 residues) PBD expressed in Rosetta BL21 (DE3) cells preincubated for 1 hrs with compound followed by peptide addition and measured immediately by fluorescence polarization assay
50016512	23	ChEMBL_2216651 (CHEMBL5129783)	Inhibition of 5-carboxyfluoresceinGPMQSpTPLNG-OH peptide binding to N-terminal His7-tagged human PLK1 (326 to 603 residues) PBD expressed in Escherichia coli BL21 (DE3) cells preincubated for 1 hrs with compound followed by peptide addition and measured after 1 hrs by fluorescence polarization assay
50016512	24	ChEMBL_2216652 (CHEMBL5129784)	Inhibition of 5-carboxyfluorescein-GPMQTSpTPKNG-OH peptide binding to PLK2 (355 to 685 residues) PBD (unknown origin) preincubated for 1 hrs with compound followed by peptide addition and measured after 1 hrs by fluorescence polarization assay
50016512	25	ChEMBL_2216654 (CHEMBL5129786)	Inhibition of 5-carboxyfluoresceinGPMQSpTPLNG-OH peptide binding to PLK1 (326 to 603 residues) PBD (unknown origin) preincubated for 1 hrs with compound followed by peptide addition and measured after 1 hrs by fluorescence polarization assay
50016512	26	ChEMBL_2216655 (CHEMBL5129787)	Inhibition of 5-carboxyfluoresceinGPMQSpTPLNG-OH peptide binding to PLK1 (326 to 603 residues) PBD (unknown origin) preincubated for 1 hrs with compound followed by peptide addition and measured after 75 mins by fluorescence polarization assay
50016512	27	ChEMBL_2216656 (CHEMBL5129788)	Inhibition of 5-carboxyfluorescein-GPMQTSpTPKNG-OH peptide binding to PLK2 (355 to 685 residues) PBD (unknown origin) preincubated for 1 hrs with compound followed by peptide addition and measured after 75 min by fluorescence polarization assay
50016512	28	ChEMBL_2216659 (CHEMBL5129791)	Inhibition of PLK1 PBD (unknown origin)
50016512	29	ChEMBL_2216662 (CHEMBL5129794)	Inhibition of PLK1 PBD (unknown origin) dependent binding
50016512	30	ChEMBL_2216663 (CHEMBL5129795)	Inhibition of biotinylated PLHSpT peptide binding to n-terminal GST-tagged full length human PLK1 PBD preincubated with compound for 30 mins followed by peptide addition and measured after 1 hrs by time-resolved fluorescence energy transfer assay
50016513	1	ChEMBL_2216667 (CHEMBL5129799)	Displacement of [3H]-methylscopolamine from human muscarinic M3 receptor expressed in CHO-K1 cell membrane measured after 2 hr by Cheng-prusoff equation analysis
50016513	2	ChEMBL_2216668 (CHEMBL5129800)	Displacement of 125I-cyanopindolol from human beta2 adrenoceptor expressed in CHO-K1 cell membrane measured after 1 hr by Cheng-prusoff equation analysis
50016513	3	ChEMBL_2216698 (CHEMBL5129830)	Inhibition of human ERG by patch clamp method
50016513	4	ChEMBL_2216699 (CHEMBL5129831)	Inhibition of human NaV1.5 channel
50016513	5	ChEMBL_2216700 (CHEMBL5129832)	Inhibition of human CaV1.2 channel
50016513	6	ChEMBL_2216709 (CHEMBL5129841)	Invivo antagonist activity at muscarinic M3 receptor activity in Dunkin-Hartley guinea pig trachea assessed as inhibition of carbachol induced contraction in presence of propranolol
50016513	7	ChEMBL_2216711 (CHEMBL5129843)	Invivo agonist beta2 adrenoceptor activity in Dunkin-Hartley guinea pig trachea assessed as histamine induced contraction
50016514	1	ChEMBL_2216752 (CHEMBL5129884)	Inhibition of hERG potassium channel in HEK293 cells at 0.3 to 30 uM by whole-cell patch clamp assay
50016515	1	ChEMBL_2216779 (CHEMBL5129911)	Inhibition of HTT (unknown origin)
50016521	1	ChEMBL_2216780 (CHEMBL5129912)	Inhibition of human SGLT1 expressed in xenopus oocytes assessed as inhibition of [14C]AMG uptake
50016521	2	ChEMBL_2216781 (CHEMBL5129913)	Inhibition of human SGLT2 expressed in xenopus oocytes assessed as inhibition of [14C]AMG uptake
50016521	3	ChEMBL_2216782 (CHEMBL5129914)	Inhibition of human SGLT1 expressed in CHO-K1 cells
50016521	4	ChEMBL_2216783 (CHEMBL5129915)	Inhibition of human SGLT2 expressed in CHO-K1 cells
50016521	5	ChEMBL_2216784 (CHEMBL5129916)	Inhibition of human SGLT1 expressed in COS-7 cells
50016521	6	ChEMBL_2216785 (CHEMBL5129917)	Inhibition of human SGLT2 expressed in COS-7 cells
50016521	7	ChEMBL_2216788 (CHEMBL5129920)	Inhibition of human SGLT1 expressed in HEK293 cell membrane assessed as inhibition of [14C]AMG uptake
50016521	8	ChEMBL_2216789 (CHEMBL5129921)	Inhibition of human SGLT2 expressed in HEK293 cell membrane assessed as inhibition of [14C]AMG uptake
50016521	9	ChEMBL_2216790 (CHEMBL5129922)	Inhibition of human SGLT2 expressed in HEK293T cells using [14C] alpha-MDG as substrate incubated for 30 mins by scintillation counter method
50016521	10	ChEMBL_2216791 (CHEMBL5129923)	Inhibition of human SGLT1
50016521	11	ChEMBL_2216792 (CHEMBL5129924)	Inhibition of human SGLT2
50016521	12	ChEMBL_2216794 (CHEMBL5129926)	Inhibition of full length N-terminal HA-tagged human SGLT1 expressed in HEK293 cells assessed as inhibition of [14C]AMG uptake
50016521	13	ChEMBL_2216795 (CHEMBL5129927)	Inhibition of full length N-terminal HA-tagged human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]AMG uptake
50016521	14	ChEMBL_2216799 (CHEMBL5129931)	Inhibition of recombinant human SGLT1 expressed in COS-7 cells assessed as inhibition of [14C]AMG uptake
50016521	15	ChEMBL_2216800 (CHEMBL5129932)	Inhibition of recombinant human SGLT2 expressed in COS-7 cells assessed as inhibition of [14C]AMG uptake
50016521	16	ChEMBL_2216802 (CHEMBL5129934)	Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C] labeled AMG accumulation incubated for 15 mins
50016521	17	ChEMBL_2216803 (CHEMBL5129935)	Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C] labeled AMG accumulation incubated for 15 mins
50016522	1	ChEMBL_2216804 (CHEMBL5129936)	Antagonist activity at recombinant human CXCR3 expressed in human CHO-K1 cells co-expressing Galpha15 incubated for 10 mins by Fluo-4AM dye based FLIPR assay
50016522	2	ChEMBL_2216805 (CHEMBL5129937)	Inhibition of CXCR3 receptor internalization in human venous whole blood incubated for 30 mins by flow cytometer analysis
50016522	3	ChEMBL_2216806 (CHEMBL5129938)	Antagonist activity at recombinant human CXCR3 in human U2SO cells assessed as reduction in CXCL10-induced beta-arrestin recruitment by TANGO assay
50016522	4	ChEMBL_2216807 (CHEMBL5129939)	Inhibition of hERG expressed in CHO cells by Q patch-clamp method
50016522	5	ChEMBL_2216852 (CHEMBL5129984)	Antagonist activity at recombinant mouse CXCR3 expressed in human CHO-K1 cells co-expressing Galpha15 incubated for 10 mins by Fluo-4AM dye based FLIPR assay
50016522	6	ChEMBL_2216859 (CHEMBL5129991)	Inhibition of hERG by manual patch clamp method
50016522	7	ChEMBL_2216873 (CHEMBL5130005)	Antagonist activity at CXCR3 (unknown origin) in presence of CXCL9 by calcium FLIPR assay
50016522	8	ChEMBL_2216874 (CHEMBL5130006)	Antagonist activity at CXCR3 (unknown origin) in presence of CXCL10 by calcium FLIPR assay
50016522	9	ChEMBL_2216875 (CHEMBL5130007)	Antagonist activity at CXCR3 (unknown origin) in presence of CXCL11 by calcium FLIPR assay
50016523	1	ChEMBL_2216883 (CHEMBL5130015)	Antagonist activity at human TLR9 expressed in HEK-blue hTLR9 cells assessed as inhibition of CpGB-induced NFkappaB activation preincubated with compound for 1 hrs followed by CpGB addition and measured next day by SEAP-based spectrophotometry assay
50016523	2	ChEMBL_2216885 (CHEMBL5130017)	Antagonist activity at human TLR7 expressed in HEK-blue hTLR7 cells assessed as inhibition of CL264-induced NFkappaB activation preincubated with compound for 1 hrs followed by CL264 addition and measured next day by SEAP-based spectrophotometry assay
50016523	3	ChEMBL_2216889 (CHEMBL5130021)	Antagonist activity at TLR9 in human pDCs inhibition of CpGB-induced NFkappaB activation by measuring IFN-alpha levels preincubated with compound for 1 hrs followed by CpGB addition and measured after 18 hrs by ELISA analysis
50016523	4	ChEMBL_2216890 (CHEMBL5130022)	Antagonist activity at human TLR8 expressed in HEK-blue hTLR8 cells assessed as inhibition of CL075-induced NFkappaB activation preincubated with compound for 1 hrs followed by CL075 addition and measured next day by SEAP-based spectrophotometry assay
50016524	1	ChEMBL_2216909 (CHEMBL5130041)	Antagonist activity at human recombinant CXCR3 expressed in CHO-K1 cells measured after 10 mins in presence of CXCL10 by FLIPR analysis
50016524	2	ChEMBL_2216910 (CHEMBL5130042)	Antagonist activity at human recombinant CXCR3 in human venous blood assessed as receptor internalization measured for 30 mins in presence of CXCL10 by flow cytometric analysis
50016524	3	ChEMBL_2216951 (CHEMBL5130083)	Inhibition of CYP3A4 in human liver microsome using testosterone as substrate
50016524	4	ChEMBL_2216952 (CHEMBL5130084)	Antagonist activity at 5-HT2A receptor (unknown origin)
50016524	5	ChEMBL_2216953 (CHEMBL5130085)	Antagonist activity at PDE5 (unknown origin)
50016524	6	ChEMBL_2216962 (CHEMBL5130094)	Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate
50016524	7	ChEMBL_2216963 (CHEMBL5130095)	Inhibition of CYP2C9 in human liver microsome using diclofenac as substrate
50016524	8	ChEMBL_2216964 (CHEMBL5130096)	Time dependent inhibition of CYP3A4 in human liver microsome using testosterone as substrate preincubated for 30 mins
50016524	9	ChEMBL_2216965 (CHEMBL5130097)	Time dependent inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate preincubated for 30 mins
50016524	10	ChEMBL_2216966 (CHEMBL5130098)	Time dependent inhibition of CYP2C9 in human liver microsome using diclofenac as substrate preincubated for 30 mins
50016524	11	ChEMBL_2216976 (CHEMBL5130108)	Inhibition of hERG by Qpatch-clamp method
50016526	1	ChEMBL_2216991 (CHEMBL5130123)	Activation of Kv7.2/Kv7.3 channel (unknown origin) expressed in CHO cells assessed as slope of fluorescent signal by FluxOR fluorescent dye based assay
50016526	2	ChEMBL_2216999 (CHEMBL5130131)	Activation of Kv7.2/Kv7.3 channel (unknown origin) expressed in CHO cells at + 80 mV assessed as leftward shift change in half activation potential measured after 24 hrs by whole cell patch clamp based electrophysiological method
50016526	3	ChEMBL_2217001 (CHEMBL5130133)	Activation of Kv7.2/Kv7.3 channel (unknown origin) expressed in CHO cells assessed as maximum current density measured after 24 hrs by whole cell patch clamp based electrophysiological method
50016527	1	ChEMBL_2217024 (CHEMBL5130156)	Inhibition of human CYP11B2 expressed in Chinese hamster V79 MZh cells using [14C]-deoxycorticosteron as substrate measured after 6 hrs by phosphoimager analysis
50016527	2	ChEMBL_2217026 (CHEMBL5130158)	Inhibition of human placental microsome CYP19 using [1beta-3H]-androstenedione as substrate
50016527	3	ChEMBL_2217027 (CHEMBL5130159)	Inhibition of human CYP11B1 expressed in Chinese hamster V79 MZh cells using [14C]-deoxycorticosteron as substrate measured after 6 hrs by phosphoimager analysis
50016527	4	ChEMBL_2217028 (CHEMBL5130160)	Inhibition of human CYP17 expressed in Escherichia coli
50016527	5	ChEMBL_2217029 (CHEMBL5130161)	Inhibition of human hepatic recombinant CYP1A2 using cocktail of substrate by LC-MS/MS analysis
50016527	6	ChEMBL_2217030 (CHEMBL5130162)	Inhibition of human hepatic recombinant CYP2C9 using cocktail of substrate by LC-MS/MS analysis
50016527	7	ChEMBL_2217031 (CHEMBL5130163)	Inhibition of human hepatic recombinant CYP2C19 using cocktail of substrate by LC-MS/MS analysis
50016527	8	ChEMBL_2217032 (CHEMBL5130164)	Inhibition of human hepatic recombinant CYP2D6 using cocktail of substrate by LC-MS/MS analysis
50016527	9	ChEMBL_2217033 (CHEMBL5130165)	Inhibition of human hepatic recombinant CYP3A using cocktail of substrate by LC-MS/MS analysis
50016527	10	ChEMBL_2217049 (CHEMBL5130181)	Inhibition of rat CYP11B1
50016527	11	ChEMBL_2217051 (CHEMBL5130183)	Inhibition of human CYP11B1 expressed in V79 cells using 11-deoxycorticosteron as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by HPLC analysis
50016527	12	ChEMBL_2217052 (CHEMBL5130184)	Inhibition of human CYP11B2 expressed in V79 cells using 11-deoxycorticosteron as substrate preincubated for 1 hr followed by substrate addition and measured after 3 hrs by HPLC analysis
50016528	1	ChEMBL_2217053 (CHEMBL5130185)	Binding affinity to adenosine A1 receptor (unknown origin) by radioligand binding assay
50016528	2	ChEMBL_2217054 (CHEMBL5130186)	Binding affinity to adenosine A3 receptor (unknown origin) by radioligand binding assay
50016528	3	ChEMBL_2217055 (CHEMBL5130187)	Displacement of [3H]MRS1754 from A2BAR (unknown origin) expressed in HEK293 cells assessed as inhibition constant by competitive binding assay
50016528	4	ChEMBL_2217056 (CHEMBL5130188)	Displacement of [3H] ZM241385 from wild type human A2AAR expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioligand binding assay
50016528	5	ChEMBL_2217057 (CHEMBL5130189)	Displacement of [3H] ZM241385 from human A2AAR S227A mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioligand binding assay
50016528	6	ChEMBL_2217058 (CHEMBL5130190)	Displacement of [3H] ZM241385 from human A2AAR H278A mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioligand binding assay
50016528	7	ChEMBL_2217059 (CHEMBL5130191)	Displacement of [3H] ZM241385 from human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as dissociation constant incubated for 60 mins by radioligand binding assay
50016528	8	ChEMBL_2217064 (CHEMBL5130196)	Displacement of [3H] ZM241385 from wild type human A2AAR expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Prusoff equation analysis
50016528	9	ChEMBL_2217065 (CHEMBL5130197)	Displacement of [3H] ZM241385 from human A2AAR S227A mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Prusoff equation analysis
50016528	10	ChEMBL_2217066 (CHEMBL5130198)	Displacement of [3H] ZM241385 from human A2AAR H278A mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Prusoff equation analysis
50016528	11	ChEMBL_2217067 (CHEMBL5130199)	Displacement of [3H] ZM241385 from human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as inhibition constant incubated for 60 mins by Cheng-Prusoff equation analysis
50016528	12	ChEMBL_2217068 (CHEMBL5130200)	Antagonist activity at wild type human A2AAR expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for 20 mins followed by CGS21680 addition and measured after 20 mins by by alpha screen assay
50016528	13	ChEMBL_2217069 (CHEMBL5130201)	Antagonist activity at human A2AAR S227A mutant expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for 20 mins followed by CGS21680 addition and measured after 20 mins by alpha screen assay
50016528	14	ChEMBL_2217070 (CHEMBL5130202)	Antagonist activity at human A2AAR H278A mutant A2AAR expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for 20 mins followed by CGS21680 addition and measured after 20 mins by alpha screen assay
50016528	15	ChEMBL_2217071 (CHEMBL5130203)	Antagonist activity at human A2AAR S277A/H278A double mutant expressed in CHO cells assessed as inhibition of CGS21680-induced cAMP accumulation preincubated for 20 mins followed by CGS21680 addition and measured after 20 mins by alpha screen assay
50016530	1	ChEMBL_2217115 (CHEMBL5130247)	Agonist activity at human GCGR expressed in frozen cells assessed as increase in cAMP production measured after 1 hr by HitHunter luminescence assay
50016530	2	ChEMBL_2217116 (CHEMBL5130248)	Agonist activity at human GLP1R expressed in frozen cells assessed as increase in cAMP production measured after 1 hr by HitHunter luminescence assay
50016533	1	ChEMBL_2217171 (CHEMBL5130303)	Inhibition of human recombinant AKR1C1 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxidation of S-tetralol using S-tetralol as substrate incubated for 10 mins by fluorescence microplate reader assay
50016533	2	ChEMBL_2217172 (CHEMBL5130304)	Inhibition of human recombinant AKR1C2 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxidation of S-tetralol using S-tetralol as substrate incubated for 10 mins by fluorescence microplate reader assay
50016533	3	ChEMBL_2217173 (CHEMBL5130305)	Inhibition of human recombinant AKR1C3 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxidation of S-tetralol using S-tetralol as substrate incubated for 10 mins by fluorescence microplate reader assay
50016533	4	ChEMBL_2217174 (CHEMBL5130306)	Inhibition of human recombinant AKR1C4 transfected in Escherichia coli BL21 (DE3) pLysS competent cells assessed as inhibition of NADP+ dependent oxidation of S-tetralol using S-tetralol as substrate incubated for 10 mins by fluorescence microplate reader assay
50016534	1	ChEMBL_2217250 (CHEMBL5130382)	Binding affinity to human GLP-1R expressed in CHO cells coexpressing beta-arrestin-2 incubated for 1 hr by time-resolved fluorescence assay
50016534	2	ChEMBL_2217251 (CHEMBL5130383)	Agonist activity at human GLP-1R expressed in CHO cells coexpressing beta-arrestin-2 assessed as reduction in cAMP accumulation incubated for 2 hrs under dark condition by LANCE cAMP assay
50016534	3	ChEMBL_2217252 (CHEMBL5130384)	Agonist activity at human GLP-1R expressed in CHO cells coexpressing beta-arrestin-2 assessed as stimulation intracellular calcium mobilization measured after 180 secs by Fluo-3-AM dye based fluorescence assay
50016534	4	ChEMBL_2217253 (CHEMBL5130385)	Agonist activity at human GLP-1R assessed as increase in ERK1/2 phosphorylation at Thr202/Tyr204 residues incubated for 20 mins by AlphaLISA assay
50016534	5	ChEMBL_2217254 (CHEMBL5130386)	Agonist activity at human GLP-1R expressed in CHO cells coexpressing beta-arrestin-2 assessed as increase in beta arrestin-2 recruitment incubated for 1 hr by chemiluminescence based pathHunter assay
50016535	1	ChEMBL_2217291 (CHEMBL5130423)	Inhibition of human 20s proteasome
50016537	1	ChEMBL_2217330 (CHEMBL5130462)	Inhibition of STS in human T47D cells using [3H]E1S as substrate measured after 24 hrs by HPLC analysis
50016537	2	ChEMBL_2217331 (CHEMBL5130463)	Irreversible inhibition of STS in human T47D cells using [3H]E1S as substrate measured after 24 hrs by HPLC analysis
50016537	3	ChEMBL_2217337 (CHEMBL5130469)	Inhibition of 17beta-HSD1 in human T47D cells using [3H]E1S as substrate measured after 24 hrs by HPLC analysis
50016537	4	ChEMBL_2217338 (CHEMBL5130470)	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NADH measured after 10 mins by HPLC method
50016537	5	ChEMBL_2217339 (CHEMBL5130471)	Inhibition of human placental microsomal fraction 17beta-HS2 using [3H]-E2 as substrate in presence of NAD+ measured after 10 mins by HPLC method
50016538	1	ChEMBL_2217367 (CHEMBL5130499)	Inhibition of MPO (unknown origin) measured after 15 mins in presence of H2O2 by chemiluminescence assay
50016538	2	ChEMBL_2217368 (CHEMBL5130500)	Inhibition of human recombinant CYP2C9 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after 20 to 50 mins by fluorescence based method
50016538	3	ChEMBL_2217369 (CHEMBL5130501)	Inhibition of MPO in human HL-60 cells measured after 15 mins in presence of H2O2 by chemiluminescence assay
50016538	4	ChEMBL_2217370 (CHEMBL5130502)	Inhibition of human recombinant TPO (1 to 839 residues) expressed in baculovirus-infected insect cells measured after 15 mins in presence of H2O2 by chemiluminescence assay
50016538	5	ChEMBL_2217375 (CHEMBL5130507)	Displacement of benzhydroxamic acid from native state MPO (unknown origin) by 1D NMR reporter assay
50016538	6	ChEMBL_2217382 (CHEMBL5130514)	Inhibition of hERG
50016538	7	ChEMBL_2217383 (CHEMBL5130515)	Inhibition of CYP2D6 (unknown origin) using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after 20 to 50 mins by fluorescence based method
50016538	8	ChEMBL_2217384 (CHEMBL5130516)	Inhibition of human recombinant CYP1A2 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after 20 to 50 mins by fluorescence based method
50016538	9	ChEMBL_2217385 (CHEMBL5130517)	Inhibition of human recombinant CYP2C19 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after 20 to 50 mins by fluorescence based method
50016538	10	ChEMBL_2217386 (CHEMBL5130518)	Competitive inhibition of human recombinant CYP3A4 using coumarin as substrate preincubated with enzyme for 10 mins followed by NADPH addition and measured after 20 to 50 mins by fluorescence based method
50016539	1	ChEMBL_2217416 (CHEMBL5130548)	Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation measured at 180 sec by fluorescence based microplate reader analysis
50016539	2	ChEMBL_2217418 (CHEMBL5130550)	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium accumulation preincubated with compound followed by capsaicin addition and measured at 180 sec by fluorescence based microplate reader analysis relative to control
50016542	1	ChEMBL_2217502 (CHEMBL5130634)	Inhibition of PRMT5 methyltransferase activity in human MTAP -/- Calu-6 cells assessed as reduction in SmB SDMA levels measured after 2 days by HTRF based assay
50016543	1	ChEMBL_2217529 (CHEMBL5130661)	Inhibition of SARS-CoV-2 3CLpro preincubated for 60 mins followed by addition of Dabcyl-KNSTLQSGLRKE-Edans fluorogenic peptide as substrate by FRET assay
50016543	2	ChEMBL_2217530 (CHEMBL5130662)	Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KNSTLQSGLRKE-Edans fluorogenic peptide as substrate by FRET assay
50016545	1	ChEMBL_2217565 (CHEMBL5130697)	Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assay
50016545	2	ChEMBL_2217566 (CHEMBL5130698)	Inhibition of recombinant HDAC5 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assay
50016545	3	ChEMBL_2217567 (CHEMBL5130699)	Inhibition of recombinant HDAC7 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assay
50016545	4	ChEMBL_2217568 (CHEMBL5130700)	Inhibition of recombinant HDAC9 (unknown origin) using Boc-Lys(TFA)-AMC as substrate by fluorescence based plate reader assay
50016545	5	ChEMBL_2217570 (CHEMBL5130702)	Inhibition of class 1 HDAC in human Jurkat E6.1 cells using Boc-Lys(Ac)-AMC as substrate incubated for 24 hrs by plate reader assay
50016552	1	ChEMBL_2217609 (CHEMBL5130741)	Inhibition of human telomerase
50016555	1	ChEMBL_2217618 (CHEMBL5130750)	Inhibition of full-length human N-terminal MAHHHHHH tagged-ERK2 expressed in Escherichia coli BL21 (DE3) using Ser/Thr 03 peptide as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by Z'-LYTE assay
50016558	1	ChEMBL_2217643 (CHEMBL5130775)	Inhibition of MMP13 in human U2OS cells by peptide microarray-based fluorescence assay
50016558	2	ChEMBL_2217644 (CHEMBL5130776)	Inhibition of MMP9 in human U2OS cells by peptide microarray-based fluorescence assay
50016558	3	ChEMBL_2217645 (CHEMBL5130777)	Inhibition of MMP7 in human U2OS cells by peptide microarray-based fluorescence assay
50016558	4	ChEMBL_2217646 (CHEMBL5130778)	Inhibition of MMP3 in human U2OS cells by peptide microarray-based fluorescence assay
50016558	5	ChEMBL_2217647 (CHEMBL5130779)	Inhibition of MMP2 in human U2OS cells by peptide microarray-based fluorescence assay
50016558	6	ChEMBL_2217648 (CHEMBL5130780)	Inhibition of MMP1 in human U2OS cells by peptide microarray-based fluorescence assay
50016560	1	ChEMBL_2217808 (CHEMBL5130940)	Inhibition of recombinant human ARG1 expressed in Escherichia coli using L-arginine hydrochloride as substrate incubated for 1 hr by colorimetric assay
50016560	2	ChEMBL_2217809 (CHEMBL5130941)	Inhibition of recombinant human ARG2 expressed in Escherichia coli using L-arginine hydrochloride as substrate incubated for 1 hr by colorimetric assay
50016562	1	ChEMBL_2217810 (CHEMBL5130942)	Inhibition of BTK (unknown origin) using TK peptide as substrate incubated for 1 hr in presence of ATP by HTRF assay
50016562	2	ChEMBL_2217811 (CHEMBL5130943)	Inhibition of JAK3 (unknown origin) using TK peptide as substrate incubated for 1 hr in presence of ATP by HTRF assay
50016562	3	ChEMBL_2217812 (CHEMBL5130944)	Inhibition of GST-tagged Pin1 (unknown origin) using Suc-AEPF-pNA peptide as substrate incubated for 3 hrs
50016563	1	ChEMBL_2217813 (CHEMBL5130945)	Activation of human EAAT2 overexpressed in MDCK cells assessed as glutamate reuptake incubated for 5 mins by LCMS assay
50016563	2	ChEMBL_2217850 (CHEMBL5130982)	Activation of human EAAT2 expressed in COS cells assessed as glutamate uptake
50016563	3	ChEMBL_2217851 (CHEMBL5130983)	Activation of human EAAT2 expressed in rat Astrocytes assessed as glutamate uptake by ELISA
50016567	1	ChEMBL_2217853 (CHEMBL5130985)	Inhibition of TEV cleavage site-fused His6-tagged WNK1 (194 to 483 residues) (unknown origin) expressed in Rosetta (DE3) cells using GST-OSR1(314 to 344) peptide as substrate incubated for 2 hrs by kinase-glo luminescence assay
50016567	2	ChEMBL_2217854 (CHEMBL5130986)	Inhibition of TEV cleavage site-fused His6-tagged WNK1 (194 to 483 residues) (unknown origin) expressed in Rosetta (DE3) cells using GST-OSR1(314 to 344) peptide as substrate measured after 30 mins by [gamma-32P]-ATP based liquid scintillation counting analysis
50016567	3	ChEMBL_2217855 (CHEMBL5130987)	Inhibition of WNK1 in human MDA-MB-231 cells assessed as reduction in OSR1 phosphorylation measured after 24 hrs by Western blot analysis
50016568	1	ChEMBL_2217865 (CHEMBL5130997)	Inhibition of LSD1 (unknown origin) using H3K4me2 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50016573	1	ChEMBL_2217885 (CHEMBL5131017)	Modulation of homozygous F508del/F508del CFTR mutant in HBE cells incubated for 18 to 24 hrs by trans-epithelial current clamp assay
50016574	1	ChEMBL_2217887 (CHEMBL5131019)	Inhibition of human myc-His6-tagged zDHHC20 expressed in HEK293T cells using 5-FAM-GTQGCMGLPCVVM-COOH as substrate preincubated for 1 hr followed by substrate addition and measured at 1 min interval for 2 hrs in presence of palmitoyl-CoA by fluorescence polarization assay
50016574	2	ChEMBL_2217890 (CHEMBL5131022)	Inhibition of human myc-His6-tagged zDHHC2 expressed in HEK293T cells using 5-FAM-GTQGCMGLPCVVM-COOH as substrate preincubated for 30 mins followed by substrate addition and measured at 1 min interval for 2 hrs in presence of palmitoyl-CoA by fluorescence polarization assay
50016576	1	ChEMBL_2217893 (CHEMBL5131025)	Inhibition of human His-Sumo-tagged PAD4 (A2 to P663 residues) expressed in Escherichia coli BL21 (DE3) cells using BAEE as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50016577	1	ChEMBL_2217895 (CHEMBL5131027)	Displacement of Alexa Fluor labeled tracer 178 from ALK5 (unknown origin) using anti-GST antibody incubated for 60 mins by TR-FRET based LanthaScreen Eu-Kinase binding assay
50016578	1	ChEMBL_2217898 (CHEMBL5131030)	Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding assay
50016580	1	ChEMBL_2217914 (CHEMBL5131046)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse J774A.1 cells assessed as decrease in LDH release pretreated for 0.5 hrs followed by stimulation with nigericin for 1 hr by LDH release assay
50016580	2	ChEMBL_2217915 (CHEMBL5131047)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse J774A.1 cells assessed as decrease in IL-1beta level pretreated for 0.5 hrs followed by stimulation with nigericin for 1 hr by ELISA
50016581	1	ChEMBL_2218027 (CHEMBL5131159)	Inhibition of Plasmodium falciparum 3D7 HA-glms-tagged PMX using DABCYL-HSFIQEGKEE-EDANS as substrate measured after 2 hrs by FRET assay
50016581	2	ChEMBL_2218028 (CHEMBL5131160)	Inhibition of Plasmodium falciparum 3D7 HA-glms-tagged PMIX using DABCYL-HSFIQEGKEE-EDANS as substrate measured after 2 hrs by FRET assay
50016582	1	ChEMBL_2218051 (CHEMBL5131183)	Inhibition of recombinant human N-terminal GST-tagged full-length CDK2/Flag-tagged cyclinE1 expressed in baculovirus expression system using eIF4E-binding protein-1 peptide as substrate incubated for 1 hr in presence of ATP by HTRF assay
50016582	2	ChEMBL_2218053 (CHEMBL5131185)	Inhibition of CDK2 in human COV318 cells incubated for overnight in presence of phospho-Rb by HTRF assay
50016582	3	ChEMBL_2218054 (CHEMBL5131186)	Inhibition of CDK1 in human OVCAR3 cells incubated for 30 mins in presence of pNPM T199 by western blot analysis
50016582	4	ChEMBL_2218059 (CHEMBL5131191)	Inhibition of CDK2 in human COV318 cells incubated for overnight in presence of human whole blood by HTRF assay
50016583	1	ChEMBL_2218101 (CHEMBL5131233)	Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFNalpha induced STAT3 phosphorylation incubated for 24 hrs by HTRF assay
50016583	2	ChEMBL_2218104 (CHEMBL5131236)	Inhibition of JAK1 JH1 (unknown origin) using ULight -poly GT as substrate in presence of ATP incubated for 120 mins by TR-FRET assay
50016583	3	ChEMBL_2218105 (CHEMBL5131237)	Inhibition of JAK2 JH1 (unknown origin) using ULight -poly GT as substrate in presence of ATP incubated for 120 mins by TR-FRET assay
50016583	4	ChEMBL_2218106 (CHEMBL5131238)	Inhibition of JAK3 JH1 (unknown origin) using ULight -poly GT as substrate in presence of ATP incubated for 120 mins by TR-FRET assay
50016583	5	ChEMBL_2218107 (CHEMBL5131239)	Inhibition of TYK2 JH1 (unknown origin) using ULight -poly GT as substrate in presence of ATP incubated for 120 mins by TR-FRET assay
50016583	6	ChEMBL_2218108 (CHEMBL5131240)	Inhibition of JAK2 in platelet cells (unknown origin) assessed as reduction in EPO stimulated STAT3 phosphorylation by HTRF assay
50016583	7	ChEMBL_2218109 (CHEMBL5131241)	Inhibition of JAK1/JAK3 in CD3+ T cells (unknown origin) assessed as reduction in IL-2 stimulated STAT5 phosphorylation incubated for 1.5 hrs by HTRF assay
50016583	8	ChEMBL_2218110 (CHEMBL5131242)	Inhibition of JAK1/JAK3 in CD3+ T cells (unknown origin) assessed as reduction in IL-6 stimulated STAT3 phosphorylation incubated for 1.5 hrs by HTRF assay
50016583	9	ChEMBL_2218111 (CHEMBL5131243)	Binding affinity to T7-tagged TYK2 JH2 (unknown origin) expressed in Escherichia coli BL21 cells incubated for 1 hr by qPCR analysis
50016584	1	ChEMBL_2218134 (CHEMBL5131266)	Displacement of [3H]-HS665 from KOR in guinea pig brain membranes
50016584	2	ChEMBL_2218136 (CHEMBL5131268)	Agonist activity at KOR in guinea pig brain membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr by liquid scintillation counting analysis
50016586	1	ChEMBL_2218149 (CHEMBL5131281)	Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self aggregation after 24 hrs by thioflavin-T fluorescence method
50016587	1	ChEMBL_2218158 (CHEMBL5131290)	Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell patch clamp electrophysiology recording
50016587	2	ChEMBL_2218159 (CHEMBL5131291)	Inhibition of human Nav1.4 expressed in HEK293 cells by whole cell patch clamp electrophysiology recording
50016587	3	ChEMBL_2218161 (CHEMBL5131293)	Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell patch clamp electrophysiology recording
50016587	4	ChEMBL_2218163 (CHEMBL5131295)	Inhibition of recombinant rat Nav1.4 expressed in CHO cells by whole cell voltage clamp electrophysiology recording
50016587	5	ChEMBL_2218164 (CHEMBL5131296)	Inhibition of recombinant human Nav1.5 expressed in CHO cells by whole cell voltage clamp electrophysiology recording
50016587	6	ChEMBL_2218165 (CHEMBL5131297)	Inhibition of human Nav1.1 expressed in HEK293 cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	7	ChEMBL_2218166 (CHEMBL5131298)	Inhibition of human Nav1.2 expressed in CHO cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	8	ChEMBL_2218167 (CHEMBL5131299)	Inhibition of human Nav1.3 expressed in CHO cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	9	ChEMBL_2218168 (CHEMBL5131300)	Inhibition of human Nav1.8 expressed in CHO cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	10	ChEMBL_2218169 (CHEMBL5131301)	Inhibition of hERG
50016587	11	ChEMBL_2218170 (CHEMBL5131302)	Inhibition of Cav1.2 (unknown origin)
50016587	12	ChEMBL_2218171 (CHEMBL5131303)	Inhibition of human Nav1.7 expressed in CHO cells at -100 mV holding potential by electrophysiology whole cell patch clamp technique
50016587	13	ChEMBL_2218176 (CHEMBL5131308)	Inhibition of CYP2C9 (unknown origin)
50016587	14	ChEMBL_2218177 (CHEMBL5131309)	Inhibition of CYP2D6 (unknown origin)
50016587	15	ChEMBL_2218178 (CHEMBL5131310)	Inhibition of CYP3A4 (unknown origin)
50016587	16	ChEMBL_2218190 (CHEMBL5131322)	Inhibition of rat Nav1.7 at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	17	ChEMBL_2218191 (CHEMBL5131323)	Inhibition of mouse Nav1.7 at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	18	ChEMBL_2218192 (CHEMBL5131324)	Inhibition of human Nav1.4 expressed in HEK293 cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	19	ChEMBL_2218193 (CHEMBL5131325)	Inhibition of human Nav1.5 expressed in HEK293 cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016587	20	ChEMBL_2218195 (CHEMBL5131327)	Inhibition of human Nav1.7 expressed in HEK293 cells at -120 mV holding potential by automated patch clamp electrophysiology recording
50016589	1	ChEMBL_2218196 (CHEMBL5131328)	Inhibition of PARP7 (unknown origin) by HTRF assay
50016590	1	ChEMBL_2218200 (CHEMBL5131332)	Binding affinity to Schistosoma mansoni N-terminal His6-tagged full-length VKR2 kinase domain expressed in baculovirus infected Sf9 insect cells in presence of ATPgammaS by SPR analysis
50016590	2	ChEMBL_2218210 (CHEMBL5131342)	Inhibition of Schistosoma mansoni N-terminal His6-tagged full-length VKR2 kinase domain expressed in baculovirus infected Sf9 insect cells assessed as reduction in autophosphorylation measured after 30 mins in presence of ATP by ADP-glo kinase assay
50016591	1	ChEMBL_2218211 (CHEMBL5131343)	Binding affinity to wild type JAK2 JH2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins by competitive fluorescence polarization assay
50016591	2	ChEMBL_2218212 (CHEMBL5131344)	Binding affinity to wild type JAK2 JH2 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 20 hrs by competitive fluorescence polarization assay
50016591	3	ChEMBL_2218213 (CHEMBL5131345)	Binding affinity to wild type JAK2 JH1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 20 hrs by competitive fluorescence polarization assay
50016592	1	ChEMBL_2218219 (CHEMBL5131351)	Inhibition of c-Myb (unknown origin) expressed in HEK293T cells measured after 16 hrs by steady-glo luciferase reporter gene assay
50016593	1	ChEMBL_2218243 (CHEMBL5131577)	Inhibition of HER2/ErbB-2 (unknown origin)
50016593	2	ChEMBL_2218274 (CHEMBL5131608)	Inhibition of AAK1 kinase in HEK-293 cells
50016593	3	ChEMBL_2218275 (CHEMBL5131609)	Binding affinity to AAK1 in HEK-293 cells
50016593	4	ChEMBL_2218276 (CHEMBL5131610)	Inhibition of GAK (unknown origin)
50016593	5	ChEMBL_2218277 (CHEMBL5131611)	Binding affinity to GAK (unknown origin)
50016593	6	ChEMBL_2218278 (CHEMBL5131612)	Inhibition of JAK (unknown origin)
50016593	7	ChEMBL_2218280 (CHEMBL5131614)	Inhibition of BTK (unknown origin)
50016593	8	ChEMBL_2218281 (CHEMBL5131615)	Inhibition of CDK4 (unknown origin)
50016593	9	ChEMBL_2218282 (CHEMBL5131616)	Inhibition of CDK6 (unknown origin)
50016593	10	ChEMBL_2218285 (CHEMBL5131619)	Non competitive inhibition of MEK1 (unknown origin)
50016593	11	ChEMBL_2218286 (CHEMBL5131620)	Non competitive inhibition of MEK2 (unknown origin)
50016593	12	ChEMBL_2218296 (CHEMBL5131630)	Inhibition of ErbB-1 (unknown origin)
50016593	13	ChEMBL_2218297 (CHEMBL5131631)	Inhibition of ErbB-2 (unknown origin)
50016593	14	ChEMBL_2218298 (CHEMBL5131632)	Inhibition of ErbB-4 (unknown origin)
50016593	15	ChEMBL_2218299 (CHEMBL5131633)	Inhibition of AXL (unknown origin)
50016593	16	ChEMBL_2218306 (CHEMBL5131640)	Inhibition of JAK 2 (unknown origin)
50016593	17	ChEMBL_2218307 (CHEMBL5131641)	Inhibition of JAK 3 (unknown origin)
50016593	18	ChEMBL_2218309 (CHEMBL5131643)	Inhibition of JAK 1 (unknown origin)
50016593	19	ChEMBL_2218310 (CHEMBL5131644)	Inhibition of CDK1 (unknown origin)
50016593	20	ChEMBL_2218311 (CHEMBL5131645)	Inhibition of CDK2 (unknown origin)
50016593	21	ChEMBL_2218312 (CHEMBL5131646)	Inhibition of CDK9 (unknown origin)
50016593	22	ChEMBL_2218315 (CHEMBL5131649)	Inhibition of Cdk5 (unknown origin)
50016593	23	ChEMBL_2218335 (CHEMBL5131669)	Inhibition of CDK9 (unknown origin) incubated for 2 hrs by measuring remaining ATP
50016593	24	ChEMBL_2218338 (CHEMBL5131672)	Inhibition of Cdc7 (unknown origin)
50016593	25	ChEMBL_2218347 (CHEMBL5131681)	Inhibition of ATR (unknown origin)
50016593	26	ChEMBL_2218349 (CHEMBL5131683)	Inhibition of Plk1 in human A549 cells incubated for 2 hrs by microplate reader method
50016593	27	ChEMBL_2218354 (CHEMBL5131688)	Inhibition of human PIKfyve in HEK293 lysate using di-C8 PI(3)P as substrate preincubated for 5 mins followed by substrate addition measured after 2 hrs
50016593	28	ChEMBL_2218366 (CHEMBL5131700)	Inhibition of aurora B kinase (unknown origin)
50016593	29	ChEMBL_2218375 (CHEMBL5131709)	Inhibition of PDK1 (unknown origin)
50016593	30	ChEMBL_2218376 (CHEMBL5131710)	Inhibition of TBK1 (unknown origin)
50016593	31	ChEMBL_2218377 (CHEMBL5131711)	Inhibition of IKK epsilon (unknown origin)
50016593	32	ChEMBL_2218381 (CHEMBL5131715)	Inhibition of CDK2/cyclin A (unknown origin)
50016593	33	ChEMBL_2218383 (CHEMBL5131717)	Inhibition of CDK4/cyclin D1 (unknown origin)
50016593	34	ChEMBL_2218384 (CHEMBL5131718)	Inhibition of CDK7 (unknown origin) in presence of ATP incubated for 1 hr by FRET based envision plate reader method
50016593	35	ChEMBL_2218388 (CHEMBL5131722)	Inhibition of MEK1 (unknown origin)
50016593	36	ChEMBL_2218389 (CHEMBL5131723)	Inhibition of MEK2 (unknown origin)
50016593	37	ChEMBL_2218396 (CHEMBL5131730)	Inhibition of MAPK (unknown origin)
50016593	38	ChEMBL_2218400 (CHEMBL5131734)	Inhibition of PKA (unknown origin)
50016593	39	ChEMBL_2218410 (CHEMBL5131744)	Non competitive inhibition of Sphk-(unknown origin)
50016593	40	ChEMBL_2218413 (CHEMBL5131747)	Inhibition of AAK1 (unknown origin)
50016593	41	ChEMBL_2218414 (CHEMBL5131748)	Binding affinity to AAK1 (unknown origin)
50016593	42	ChEMBL_2218416 (CHEMBL5131750)	Inhibition of N-terminal epitope-tagged JAK1 (837 to 1142 residues) (unknown origin) expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate in presence of ATP
50016593	43	ChEMBL_2218417 (CHEMBL5131751)	Inhibition of N-terminal epitope-tagged JAK2 (828 to 1132 residues) (unknown origin) expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate in presence of ATP
50016593	44	ChEMBL_2218418 (CHEMBL5131752)	Inhibition of N-terminal epitope-tagged JAK3 (781 to 1124 residues) (unknown origin) expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate in presence of ATP
50016593	45	ChEMBL_2218419 (CHEMBL5131753)	Inhibition of N-terminal epitope-tagged TYK2 (873 to 1187 residues) (unknown origin) expressed in Sf21 cells using EQEDEPEGDYFEWLE as substrate in presence of ATP
50016593	46	ChEMBL_2218420 (CHEMBL5131754)	Inhibition of recombinant JAK1 (unknown origin) using ULight-conjugated JAK-1(Tyr^1023) peptide as substrate measured after 90 mins by microplate reader
50016593	47	ChEMBL_2218421 (CHEMBL5131755)	Inhibition of recombinant JAK3 (unknown origin) measured after 90 mins by microplate reader
50016593	48	ChEMBL_2218422 (CHEMBL5131756)	Binding affinity to AAK1 (unknown origin) assessed as dissociation constant
50016593	49	ChEMBL_2218423 (CHEMBL5131757)	Binding affinity to GAK (unknown origin) assessed as dissociation constant
50016593	50	ChEMBL_2218424 (CHEMBL5131758)	Inhibition of c-Abl (unknown origin)
50016593	51	ChEMBL_2218427 (CHEMBL5131761)	Inhibition of BCR-Abl (unknown origin)
50016593	52	ChEMBL_2218428 (CHEMBL5131762)	Inhibition of SRC (unknown origin)
50016593	53	ChEMBL_2218429 (CHEMBL5131763)	Inhibition of Flt3 (unknown origin)
50016593	54	ChEMBL_2218430 (CHEMBL5131764)	Inhibition of Alk (unknown origin)
50016593	55	ChEMBL_2218455 (CHEMBL5131789)	Inhibition of VEGFR 2 (unknown origin)
50016593	56	ChEMBL_2218470 (CHEMBL5131804)	Inhibition of mTOR (unknown origin)
50016593	57	ChEMBL_2218480 (CHEMBL5131814)	Inhibition of ERbB2 (unknown origin)
50016593	58	ChEMBL_2218502 (CHEMBL5131836)	Inhibition of AKT1 (unknown origin)
50016593	59	ChEMBL_2218503 (CHEMBL5131837)	Inhibition of PIM1 (unknown origin)
50016593	60	ChEMBL_2218507 (CHEMBL5131841)	Inhibition of PLK1 (unknown origin)
50016593	61	ChEMBL_2218509 (CHEMBL5131843)	Inhibition of PI3K alpha (unknown origin)
50016593	62	ChEMBL_2218513 (CHEMBL5131847)	Inhibition of human PIKfyve (unknown origin)
50016593	63	ChEMBL_2218522 (CHEMBL5131856)	Inhibition of Abl (unknown origin)
50016593	64	ChEMBL_2218523 (CHEMBL5131857)	Inhibition of EGFR (unknown origin)
50016593	65	ChEMBL_2218525 (CHEMBL5131859)	Inhibition of p38 MAPK (unknown origin)
50016593	66	ChEMBL_2218542 (CHEMBL5131876)	Inhibition of Nef activated HCK (unknown origin)
50016593	67	ChEMBL_2218548 (CHEMBL5131882)	Inhibition of FAK (unknown origin)
50016593	68	ChEMBL_2218552 (CHEMBL5131886)	Inhibition of CDk7 (unknown origin)
50016593	69	ChEMBL_2218565 (CHEMBL5131899)	Inhibition of PKCbeta2 (unknown origin)
50016593	70	ChEMBL_2218570 (CHEMBL5131904)	Binding affinity to AKT1 (unknown origin)
50016593	71	ChEMBL_2218574 (CHEMBL5131908)	Inhibition of CAMK-II (unknown origin)
50016593	72	ChEMBL_2218576 (CHEMBL5131910)	Inhibition of PI4KIIIbeta (unknown origin)
50016593	73	ChEMBL_2218577 (CHEMBL5131911)	Inhibition of PI3K delta (unknown origin)
50016593	74	ChEMBL_2218578 (CHEMBL5131912)	Inhibition of PI3K beta (unknown origin)
50016593	75	ChEMBL_2218581 (CHEMBL5131915)	Inhibition of PIK3C2beta (unknown origin)
50016593	76	ChEMBL_2218587 (CHEMBL5131921)	Inhibition of SphK (unknown origin)
50016593	77	ChEMBL_2218590 (CHEMBL5131924)	Binding affinity to Sphk2 (unknown origin) assessed as inhibition constant
50016594	1	ChEMBL_2218614 (CHEMBL5131948)	Inhibition of CDK6 (unknown origin)
50016594	2	ChEMBL_2218618 (CHEMBL5131952)	Inhibition of Cdk9 (unknown origin) incubated fro 2 hrs by measuring remaining ATP by kinase Glo
50016594	3	ChEMBL_2218622 (CHEMBL5131956)	Inhibition of Abl (unknown origin)
50016594	4	ChEMBL_2218627 (CHEMBL5131961)	Binding affinity to recombinant SphK2 (unknown origin) ADP Quest assay system
50016594	5	ChEMBL_2218628 (CHEMBL5131962)	Binding affinity to GAK (unknown origin) assessed as dissociation constant
50016594	6	ChEMBL_2218629 (CHEMBL5131963)	Binding affinity to AAK1 (unknown origin) assessed as dissociation constant
50016594	7	ChEMBL_2218630 (CHEMBL5131964)	Binding affinity to BIKE (unknown origin) assessed as dissociation constant
50016594	8	ChEMBL_2218631 (CHEMBL5131965)	Inhibition of EGFR (unknown origin)
50016594	9	ChEMBL_2218633 (CHEMBL5131967)	Inhibition of FGFR1 (unknown origin)
50016594	10	ChEMBL_2218634 (CHEMBL5131968)	Inhibition of FGFR2 (unknown origin)
50016594	11	ChEMBL_2218635 (CHEMBL5131969)	Inhibition of FGFR3 (unknown origin)
50016594	12	ChEMBL_2218636 (CHEMBL5131970)	Inhibition of AXL (unknown origin)
50016594	13	ChEMBL_2218637 (CHEMBL5131971)	Inhibition of TrKA (unknown origin)
50016594	14	ChEMBL_2218638 (CHEMBL5131972)	Inhibition of MEK 1/2 (unknown origin)
50016594	15	ChEMBL_2218639 (CHEMBL5131973)	Inhibition of MEK1 (unknown origin)
50016594	16	ChEMBL_2218640 (CHEMBL5131974)	Inhibition of MEK2 (unknown origin)
50016594	17	ChEMBL_2218641 (CHEMBL5131975)	Inhibition of JNK1/2 (unknown origin)
50016594	18	ChEMBL_2218642 (CHEMBL5131976)	Inhibition of JNK3 (unknown origin)
50016594	19	ChEMBL_2218643 (CHEMBL5131977)	Inhibition of SAPK2a/p38 (unknown origin)
50016594	20	ChEMBL_2218644 (CHEMBL5131978)	Inhibition of SRC (unknown origin)
50016594	21	ChEMBL_2218645 (CHEMBL5131979)	Binding affinity to Fyn (unknown origin) assessed as dissociation constant
50016594	22	ChEMBL_2218646 (CHEMBL5131980)	Inhibition of LCK (unknown origin)
50016594	23	ChEMBL_2218647 (CHEMBL5131981)	Inhibition of CDK4 (unknown origin)
50016594	24	ChEMBL_2218648 (CHEMBL5131982)	Inhibition of CDK2 (unknown origin)
50016594	25	ChEMBL_2218649 (CHEMBL5131983)	Inhibition of CDK5 (unknown origin)
50016594	26	ChEMBL_2218650 (CHEMBL5131984)	Inhibition of CDK1 (unknown origin)
50016594	27	ChEMBL_2218651 (CHEMBL5131985)	Inhibition of CDK9 (unknown origin)
50016594	28	ChEMBL_2218652 (CHEMBL5131986)	Inhibition of PIKFYVE (unknown origin)
50016594	29	ChEMBL_2218654 (CHEMBL5131988)	Inhibition of GRK2 (unknown origin)
50016594	30	ChEMBL_2218655 (CHEMBL5131989)	Inhibition of CamK-II (unknown origin)
50016594	31	ChEMBL_2218656 (CHEMBL5131990)	Binding affinity to ATR (unknown origin)
50016594	32	ChEMBL_2218658 (CHEMBL5131992)	Inhibition of PI3Kalpha (unknown origin)
50016594	33	ChEMBL_2218659 (CHEMBL5131993)	Inhibition of PI3Kbeta (unknown origin)
50016594	34	ChEMBL_2218660 (CHEMBL5131994)	Inhibition of PI3Kdelta (unknown origin)
50016595	1	ChEMBL_2218661 (CHEMBL5131995)	Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as N-terminal biotinylated PGC1a coactivator peptide recruitment in presence of rosiglitazone by TR-FRET assay
50016595	2	ChEMBL_2218662 (CHEMBL5131996)	Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as N-terminal biotinylated PGC1a coactivator peptide recruitment by TR-FRET assay
50016595	3	ChEMBL_2218663 (CHEMBL5131997)	Allosteric inverse agonist activity at C-terminal His-tagged RORgammat LBD (265 to 507 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as N-terminal biotinylated SRC1 box2 coactivator peptide recruitment by TR-FRET assay
50016595	4	ChEMBL_2218664 (CHEMBL5131998)	Displacement of Alexa flour647-labeled MRL-871 from RORgammat LBD (265 to 507 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells by TR-FRET assay
50016597	1	ChEMBL_2218696 (CHEMBL5132030)	Inhibition of JAK3 (unknown origin)
50016597	2	ChEMBL_2218697 (CHEMBL5132031)	Inhibition of TYK2 (unknown origin)
50016597	3	ChEMBL_2218698 (CHEMBL5132032)	Inhibition of SARS-CoV-2 M-protease
50016598	1	ChEMBL_2218703 (CHEMBL5132037)	Inhibition of recombinant full length human HDAC3 expressed in insect Sf9 cells by EMSA analysis
50016598	2	ChEMBL_2218704 (CHEMBL5132038)	Inhibition of recombinant full length human HDAC6 expressed in insect Sf9 cells by EMSA analysis
50016598	3	ChEMBL_2218705 (CHEMBL5132039)	Inhibition of recombinant full length human HDAC8 expressed in insect Sf9 cells by EMSA analysis
50016598	4	ChEMBL_2218706 (CHEMBL5132040)	Inhibition of recombinant full length HDAC11 (unknown origin) expressed in insect Sf9 cells by EMSA analysis
50016598	5	ChEMBL_2218707 (CHEMBL5132041)	Inhibition of recombinant full length human HDAC1 expressed in insect Sf9 cells by EMSA analysis
50016598	6	ChEMBL_2218708 (CHEMBL5132042)	Inhibition of recombinant full length human HDAC2 expressed in insect Sf9 cells by EMSA analysis
50016598	7	ChEMBL_2218709 (CHEMBL5132043)	Inhibition of recombinant full length human HDAC4 expressed in insect Sf9 cells by EMSA analysis
50016598	8	ChEMBL_2218710 (CHEMBL5132044)	Inhibition of recombinant full length human HDAC5 expressed in insect Sf9 cells by EMSA analysis
50016598	9	ChEMBL_2218711 (CHEMBL5132045)	Inhibition of recombinant full length human HDAC7 expressed in Sf9 cells by EMSA analysis
50016598	10	ChEMBL_2218712 (CHEMBL5132046)	Inhibition of recombinant full length human HDAC9 expressed in Sf9 cells by EMSA analysis
50016598	11	ChEMBL_2218713 (CHEMBL5132047)	Inhibition of recombinant full length human HDAC10 expressed in Sf9 cells by EMSA analysis
50016598	12	ChEMBL_2218747 (CHEMBL5132081)	Inhibition of recombinant full length human HDAC6
50016599	1	ChEMBL_2218766 (CHEMBL5132100)	Agonist activity at GPR88 (unknown origin) expressed in CHO cells coexpressing PPLS-HA assessed as reduction in forskolin-stimulated cAMP production and measured after 90 mins by Lance TR-FRET cAMP assay
50016599	2	ChEMBL_2218769 (CHEMBL5132103)	Agonist activity at wild type GPR88 expressed in mouse striatal membrane assessed as [35S] GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50016599	3	ChEMBL_2218770 (CHEMBL5132104)	Agonist activity at wild type GPR88 expressed in C57BL/6J mouse striatal membrane assessed as [35S] GTPgammaS binding incubated for 1 hr by liquid scintillation counting method
50016599	4	ChEMBL_2218780 (CHEMBL5132114)	Agonist activity at human GPR88 expressed in HEK293T cells assessed as reduction in cAMP production incubated for 15 mins measured after 1 hr by by FLIPR assay
50016600	1	ChEMBL_2218788 (CHEMBL5132122)	Binding affinity to HIV-1 NL4-3 capsid protein monomer assessed as dissociation constant by SPR analysis
50016600	2	ChEMBL_2218789 (CHEMBL5132123)	Binding affinity to HIV-1 NL4-3 capsid protein hexamer assessed as dissociation constant by SPR analysis
50016602	1	ChEMBL_2218812 (CHEMBL5132146)	Inhibition of human PARP1 using NAD+ as substrate incubated for 1 hr by ELISA
50016602	2	ChEMBL_2218813 (CHEMBL5132147)	Inhibition of human PARP2 using NAD+ as substrate incubated for 1 hr by ELISA
50016603	1	ChEMBL_2218823 (CHEMBL5132157)	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence plate reader assay
50016603	2	ChEMBL_2218824 (CHEMBL5132158)	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 60 mins by fluorescence plate reader assay
50016604	1	ChEMBL_2218979 (CHEMBL5132313)	Antagonist activity at human P2Y14R expressed in human HEK293 cells assessed as inhibition of cAMP level incubated for 30 mins by cAMP-glo assay
50016605	1	ChEMBL_2219154 (CHEMBL5132488)	Inhibition of GCPII (unknown origin)
50016608	1	ChEMBL_2219157 (CHEMBL5132491)	Inhibition of FTO (unknown origin) demethylation activity by HPLC assay
50016608	2	ChEMBL_2219158 (CHEMBL5132492)	Binding affinity to FTO (unknown origin) assessed as dissociation constant at 180 uM by isothermal titration calorimetry assay
50016608	3	ChEMBL_2219159 (CHEMBL5132493)	Inhibition of ALKBH5 (unknown origin) demethylation activity
50016610	1	ChEMBL_2219398 (CHEMBL5132732)	Inhibition of recombinant HIV-1 reverse transcriptase incubated for 2 hrs by colorimetric assay
50016611	1	ChEMBL_2219403 (CHEMBL5132737)	Binding affinity to recombinant human N-terminal GST-tagged PLK1-PBD (367 to 603 end residue) expressed in Escherichia coli using MAGPMQS[pT]PLNGAKK as substrate incubated for 45 mins by fluorescence polarization assay
50016611	2	ChEMBL_2219404 (CHEMBL5132738)	Binding affinity to recombinant human N-terminal MBP tagged/C-terminal His-tagged human PLK3-PBD (335 to 646 residue) expressed in Escherichia coli expression system using GPLATS[pT]PKNG as substrate incubated for 45 mins by fluorescence polarization assay
50016611	3	ChEMBL_2219406 (CHEMBL5132740)	Binding affinity to full length PLK1 in human PC-3 cells assessed as stabilized protein incubated for 2 hrs followed by aggregation temperature at 56.2 degC by CESTA analysis
50016611	4	ChEMBL_2219407 (CHEMBL5132741)	Binding affinity to full length PLK3 in human PC-3 cells assessed as stabilized protein incubated for 2 hrs followed by aggregation temperature at 48 degC by CESTA analysis
50016613	1	ChEMBL_2219433 (CHEMBL5132767)	Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence based microplate reader analysis
50016614	1	ChEMBL_2219461 (CHEMBL5132795)	Inhibition of FLAG-tagged full-length human recombinant DYRK1A (127 to 485 residues) expressed in Escherichia coli assessed as reduction in autophosphorylation at Ser97 residue by Western blot analysis
50016617	1	ChEMBL_2219481 (CHEMBL5132815)	Inhibition of human ERG by patch-clamp assay
50016617	2	ChEMBL_2219482 (CHEMBL5132816)	Inhibition of ELOVL1 in human HEK293 cells assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	3	ChEMBL_2219489 (CHEMBL5132823)	Inhibition of ELOVL1 (unknown origin) using C22-acyl-CoA as substrate by radiometric enzyme assay
50016617	4	ChEMBL_2219490 (CHEMBL5132824)	Inhibition of ELOVL6 (unknown origin) using C16-acyl-CoA as substrate by radiometric enzyme assay
50016617	5	ChEMBL_2219491 (CHEMBL5132825)	Inhibition of ELOVL7 (unknown origin) using C18-acyl-CoA as substrate by radiometric enzyme assay
50016617	6	ChEMBL_2219492 (CHEMBL5132826)	Inhibition of ELOVL1 in human HEK2936E cells assessed as reduction of C26:0 LPC synthesis incubated for 48 hrs by cellular assay
50016617	7	ChEMBL_2219524 (CHEMBL5132858)	Inhibition of ELOVL4 (unknown origin) in presence of C26-acyl-CoA by radiometric enzyme assay
50016617	8	ChEMBL_2219525 (CHEMBL5132859)	Inhibition of ELOVL1 in CALD patient-derived human fibroblast assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	9	ChEMBL_2219526 (CHEMBL5132860)	Inhibition of ELOVL1 in AMN 1 patient-derived fibroblast assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	10	ChEMBL_2219527 (CHEMBL5132861)	Inhibition of ELOVL1 in AMN 2 patient-derived fibroblast assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	11	ChEMBL_2219528 (CHEMBL5132862)	Inhibition of ELOVL1 in CALD patient-derived human lymphocyte assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	12	ChEMBL_2219529 (CHEMBL5132863)	Inhibition of ELOVL1 in human microglia assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	13	ChEMBL_2219530 (CHEMBL5132864)	Inhibition of ELOVL1 in Het Female 2 patient-derived human lymphocyte assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016617	14	ChEMBL_2219531 (CHEMBL5132865)	Inhibition of ELOVL1 in Het Female 1 patient-derived human lymphocyte assessed as reduction of C26:0 VLCFA synthesis incubated for 48 hrs by cellular assay
50016620	1	ChEMBL_2219696 (CHEMBL5133030)	Inhibition of MIF tautomerase (unknown origin) using 4-HPP as substrate preincubated for 1 hr followed by substrate addition
50016620	2	ChEMBL_2219700 (CHEMBL5133034)	Inhibition of MIF tautomerase (unknown origin) using 4-HPP as substrate preincubated for 1 hr followed by substrate addition by Lineweaver-Burk plot anlysis
50016621	1	ChEMBL_2219705 (CHEMBL5133039)	Antagonist activity at human CysLT1 receptor
50016621	2	ChEMBL_2219706 (CHEMBL5133040)	Antagonist activity at human CysLT2 receptor
50016621	3	ChEMBL_2219713 (CHEMBL5133047)	Antagonist activity against human CysLT1 expressed in CHO cells assessed as inhibition of LTD4 induced cytosolic Calcium ion mobilization measured after 75 mins by Fluo4 dye based fluorimetric microplate reader assay relative to control
50016621	4	ChEMBL_2219715 (CHEMBL5133049)	Agonist activity against human GPBAR1 expressed in HEK293T cells assessed as transactivation of cAMP-responsive element incubated for 18 hrs by Dual-Luciferase reporter assay based luminometer analysis
50016621	5	ChEMBL_2219723 (CHEMBL5133057)	Agonist activity at human CysLT1 receptor
50016621	6	ChEMBL_2219724 (CHEMBL5133058)	Agonist activity at human CysLT2 receptor
50016626	1	ChEMBL_2219748 (CHEMBL5133082)	Inhibition of recombinant human GST-fused JAK1 (845 to 1142 residues) expressed in Sf9 cells at varying concentrations of ATP by competitive binding assay
50016626	2	ChEMBL_2219749 (CHEMBL5133083)	Inhibition of recombinant human C-terminal His6-tagged JAK2 (808 to end residues) expressed in baculovirus infected Sf21 cells at varying concentrations of ATP by competitive binding assay
50016626	3	ChEMBL_2219751 (CHEMBL5133085)	Inhibition of JAK1 (unknown origin) by biochemical assay
50016626	4	ChEMBL_2219753 (CHEMBL5133087)	Inhibition of JAK2 (unknown origin) by biochemical assay
50016627	1	ChEMBL_2219784 (CHEMBL5133118)	Inhibition of GST-tagged human recombinant ALK1 expressed in baculovirus expression system using casein as substrate in presence of [gamma-32P]ATP incubated for 45 mins by Microscint-20 scintillation counting analysis
50016627	2	ChEMBL_2219785 (CHEMBL5133119)	Inhibition of GST-tagged human recombinant ALK2 (145 to 509 residues) expressed in baculovirus expression system using casein as substrate in presence of [gamma-32P]ATP incubated for 45 mins by Microscint-20 scintillation counting analysis
50016627	3	ChEMBL_2219786 (CHEMBL5133120)	Inhibition of GST-tagged human recombinant ALK3 expressed in insect cells using casein as substrate in presence of [gamma-32P]ATP incubated for 45 mins by Microscint-20 scintillation counting analysis
50016627	4	ChEMBL_2219787 (CHEMBL5133121)	Inhibition of ALK1 (unknown origin)
50016627	5	ChEMBL_2219788 (CHEMBL5133122)	Inhibition of human recombinant ALK2 (172 to 499 residues) expressed in baculovirus-infected insect cells by ADP-Glo kinase assay
50016627	6	ChEMBL_2219789 (CHEMBL5133123)	Inhibition of human recombinant ALK3 (198 to 525 residues) expressed in baculovirus-infected insect cells by ADP-Glo kinase assay
50016627	7	ChEMBL_2219790 (CHEMBL5133124)	Inhibition of ALK2 (unknown origin)
50016627	8	ChEMBL_2219791 (CHEMBL5133125)	Inhibition of ALK3 (unknown origin)
50016627	9	ChEMBL_2219794 (CHEMBL5133128)	Inhibition of ALK2 in human HeLa cells assessed as inhibition of SMAD1 phosphorylation
50016628	1	ChEMBL_2219875 (CHEMBL5133209)	Inhibition of human muscarinic acetylcholine M4 receptor expressed in CHO cells co-expressing Gqi5 in the presence of acetylcholine at EC80 concentration by calcium mobilization assay
50016628	2	ChEMBL_2219877 (CHEMBL5133211)	Inhibition of rat muscarinic acetylcholine M4 receptor expressed in CHO cells co-expressing Gqi5 in the presence of acetylcholine at EC80 concentration by calcium mobilization assay
50016628	3	ChEMBL_2219879 (CHEMBL5133213)	Inhibition of human muscarinic acetylcholine M2 receptor expressed in CHO cells co-expressing Gqi5 in the presence of acetylcholine at EC80 concentration by calcium mobilization assay
50016628	4	ChEMBL_2219881 (CHEMBL5133215)	Inhibition of CYP1A2 in human liver microsomes using cocktail of isoform-specific probe substrate
50016628	5	ChEMBL_2219882 (CHEMBL5133216)	Inhibition of CYP2C9 in human liver microsomes using cocktail of isoform-specific probe substrate
50016628	6	ChEMBL_2219883 (CHEMBL5133217)	Inhibition of CYP2D6 in human liver microsomes using cocktail of isoform-specific probe substrate
50016628	7	ChEMBL_2219884 (CHEMBL5133218)	Inhibition of CYP3A4 in human liver microsomes using cocktail of isoform-specific probe substrate
50016628	8	ChEMBL_2219909 (CHEMBL5133243)	Displacement of [3H]-NMS from human muscarinic acetylcholine M4 receptor expressed in CHO cell membrane by competitive binding assay
50016628	9	ChEMBL_2219910 (CHEMBL5133244)	Inhibition of rat muscarinic acetylcholine M1 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016628	10	ChEMBL_2219911 (CHEMBL5133245)	Inhibition of rat muscarinic acetylcholine M2 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016628	11	ChEMBL_2219912 (CHEMBL5133246)	Inhibition of rat muscarinic acetylcholine M3 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016628	12	ChEMBL_2219913 (CHEMBL5133247)	Inhibition of rat muscarinic acetylcholine M5 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016628	13	ChEMBL_2219914 (CHEMBL5133248)	Inhibition of human muscarinic acetylcholine M1 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016628	14	ChEMBL_2219915 (CHEMBL5133249)	Inhibition of human muscarinic acetylcholine M2 receptor expressed in CHO cells co-expressing Gqi5 preincubated with compound followed by acetylcholine addition at EC80 concentration by calcium mobilization assay
50016629	1	ChEMBL_2219916 (CHEMBL5133250)	Inhibition of BACE1 (unknown origin)
50016629	2	ChEMBL_2219917 (CHEMBL5133251)	Inhibition of BACE1 (unknown origin) expressed in HEK293 cells expressing human APP with Swedish and London familial AD mutation
50016629	3	ChEMBL_2219922 (CHEMBL5133256)	Inhibition of human ERG expressed in HEK cells by voltage clamp assay
50016629	4	ChEMBL_2219924 (CHEMBL5133258)	Displacement of MK499 from human ERG expressed in HEK membrane by radio ligand binding competition assay
50016629	5	ChEMBL_2219939 (CHEMBL5133273)	Inhibition of human cathepsin D
50016629	6	ChEMBL_2219940 (CHEMBL5133274)	Inhibition of human cathepsin E
50016629	7	ChEMBL_2219942 (CHEMBL5133276)	Inhibition of human renin
50016629	8	ChEMBL_2219950 (CHEMBL5133284)	Inhibition of CAV1.2 (unknown origin)
50016629	9	ChEMBL_2219951 (CHEMBL5133285)	Inhibition of NaV1.2 (unknown origin)
50016630	1	ChEMBL_2219956 (CHEMBL5133290)	Inhibition of PARP1 (unknown origin)
50016631	1	ChEMBL_2219963 (CHEMBL5133297)	Agonistic activity at MRGPRX2 (unknown origin)
50016632	1	ChEMBL_2220026 (CHEMBL5133360)	Inhibition of hERG by fluorescence polarization assay
50016632	2	ChEMBL_2220027 (CHEMBL5133361)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence based microtiter plate reader assay
50016632	3	ChEMBL_2220028 (CHEMBL5133362)	Inhibition of Staphylococcus aureus topoisomerase 4 using pNO1 plasmid DNA as substrate incubated for 30 mins by fluorescence based microtiter plate reader assay
50016632	4	ChEMBL_2220029 (CHEMBL5133363)	Inhibition of Escherichia coli DNA gyrase by fluorescence based microtiter plate reader assay
50016635	1	ChEMBL_2220113 (CHEMBL5133447)	Inhibition of carbonic anhydrase 1 (unknown origin)
50016635	2	ChEMBL_2220114 (CHEMBL5133448)	Competitive inhibition of carbonic anhydrase 1 (unknown origin) at 2.85 uM by L-B plot analysis
50016637	1	ChEMBL_2220179 (CHEMBL5133513)	Inhibition of EGFR tyrosine kinase (unknown origin) preincubated for 5 mins followed by substrate addition and further incubated for 10 mins in presence of ATP by fluorescence based microplate reader analysis
50016637	2	ChEMBL_2220184 (CHEMBL5133518)	Inhibition of EGFR tyrosine kinase (unknown origin)
50016638	1	ChEMBL_2220239 (CHEMBL5133573)	Binding affinity to OX1R (unknown origin) by calcium assay
50016638	2	ChEMBL_2220240 (CHEMBL5133574)	Displacement of [3H]DAMGO from human MOR expressed in HEK293 cell membrane
50016638	3	ChEMBL_2220241 (CHEMBL5133575)	Displacement of [3H]DPDPE from human KOR expressed in HEK293 cell membrane
50016638	4	ChEMBL_2220242 (CHEMBL5133576)	Displacement of [3H]U-69-593 from human DOR expressed in HEK293 cell membrane
50016640	1	ChEMBL_2220270 (CHEMBL5133604)	Inhibition of VEGFR2 (unknown origin)
50016640	2	ChEMBL_2220271 (CHEMBL5133605)	Inhibition of EGFR (unknown origin)
50016642	3	ChEMBL_2220279 (CHEMBL5133613)	Agonist activity at human OX2R expressed in CHO-K1 cells assessed as increase in calcium mobilization by Fluo-4-AM dye based fluorescence assay
50016642	4	ChEMBL_2220281 (CHEMBL5133615)	Antagonist activity at human OX1R expressed in CHO-K1 cells assessed as inhibition of orexin-A-induced increase in calcium mobilization preincubated for 15 mins followed orexin-A stimulation by by Fura-2-AM dye based fluorescence assay
50016646	1	ChEMBL_2220292 (CHEMBL5133626)	Displacement of [3H]-pentazocine from Sigma 1-receptor (unknown origin)
50016646	2	ChEMBL_2220293 (CHEMBL5133627)	Displacement of [3H]-DTG from Sprague-Dawley rat liver Sigma 2 receptor incubated for 120 mins in presence of [3H]-(+)-pentazocine by liquid scintillation counting analysis
50016646	3	ChEMBL_2220294 (CHEMBL5133628)	Displacement of [3H]-(+)-pentazocine from Dunkin-Hartley guinea pig brain cortex Sigma 1 receptor incubated for 150 mins by liquid scintillation counting analysis
50016646	4	ChEMBL_2220295 (CHEMBL5133629)	Displacement of [3H]-DAMGO from Sprague-Dawley rat brain membrane mu opioid receptor incubated for 45 mins by liquid scintillation counting analysis
50016646	5	ChEMBL_2220296 (CHEMBL5133630)	Displacement of [3H]-(2-D-Ala)[Tyrosy1-3,5-]-DELTORPHIN II from Sprague-Dawley rat brain membrane delta opioid receptor incubated for 45 mins by liquid scintillation counting analysis
50016646	6	ChEMBL_2220297 (CHEMBL5133631)	Displacement of [3H]-U69593 from Dunkin-Hartley guinea pig brain membrane kappa opioid receptor incubated for 30 mins by liquid scintillation counting analysis
50016646	7	ChEMBL_2220298 (CHEMBL5133632)	Displacement of [3H]-di-o-tolylguanidine from Sigma 2-receptor (unknown origin)
50016646	8	ChEMBL_2220317 (CHEMBL5133651)	Inhibition of human ERG potassium channel expressed in CHO-K1 cells by Qube-automated patch clamp assay
50016647	1	ChEMBL_2220318 (CHEMBL5133652)	Mixed type inhibition of AChE (unknown origin) assessed as inhibitory constant by Lineweaver-Burk plot analysis
50016647	2	ChEMBL_2220323 (CHEMBL5133657)	Inhibition of electric eel AChE by Ellman's method
50016647	3	ChEMBL_2220327 (CHEMBL5133661)	Inhibition of human AChE by Ellman's method
50016649	1	ChEMBL_2220372 (CHEMBL5133706)	Inhibition of His6-tagged ENL YEATS domain (unknown origin) expressed in Escherichia coli BL21 DE3 and biotinylated H3K27ac peptide interaction using biotin-labeled peptide PRKQLATKAARK(Ac)SAPATGGVKKPH as substrate pretreated for 15 mins followed by substrate addition for 30 mins by AlphaScreen assay
50016649	2	ChEMBL_2220373 (CHEMBL5133707)	Binding affinity to His6-tagged ENL YEATS domain (unknown origin) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance analysis
50016651	1	ChEMBL_2220399 (CHEMBL5133733)	Activation of Nrf2 in HEK293T cells
50016656	1	ChEMBL_2220402 (CHEMBL5133736)	Inhibition of FLT3 (unknown origin) using intact cell by two-site ELISA
50016656	2	ChEMBL_2220403 (CHEMBL5133737)	Inhibition of FLT3 (unknown origin)
50016656	3	ChEMBL_2220406 (CHEMBL5133740)	Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system by LanthaScreen assay
50016656	4	ChEMBL_2220407 (CHEMBL5133741)	Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in insect cells by LanthaScreen assay
50016656	5	ChEMBL_2220408 (CHEMBL5133742)	Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system by LanthaScreen assay
50016656	6	ChEMBL_2220409 (CHEMBL5133743)	Inhibition of recombinant His-tagged human TrKA expressed in baculovirus expression system by LanthaScreen assay
50016656	7	ChEMBL_2220440 (CHEMBL5133774)	Inhibition of FLT3-D835Y autophosphorylation in human MV4-11 cells measured after 2 hrs by Western blot analysis
50016656	8	ChEMBL_2220447 (CHEMBL5133781)	Inhibition of FLT3 autophosphorylation in human RS4-11 cells measured after 2 hrs by Western blot analysis
50016656	9	ChEMBL_2220448 (CHEMBL5133782)	Inhibition of FLT3-ITD autophosphorylation in human MV4-11 cells measured after 2 hrs by Western blot analysis
50016656	10	ChEMBL_2220449 (CHEMBL5133783)	Inhibition of recombinant GST-tagged human FLT3 expressed in baculovirus expression system by tyrosine kinase assay
50016656	11	ChEMBL_2220450 (CHEMBL5133784)	Inhibition of FLT3-WT (unknown origin)
50016656	12	ChEMBL_2220451 (CHEMBL5133785)	Inhibition of FLT3-ITD (unknown origin)
50016656	13	ChEMBL_2220452 (CHEMBL5133786)	Inhibition of FLT3-D835Y (unknown origin)
50016656	14	ChEMBL_2220453 (CHEMBL5133787)	Inhibition of FLT3 (unknown origin) autophosphorylation measured after 3 hrs by multi-mode microplate reader
50016656	15	ChEMBL_2220454 (CHEMBL5133788)	Inhibition of TOPK (unknown origin) autophosphorylation measured after 3 hrs by multi-mode microplate reader
50016656	16	ChEMBL_2220455 (CHEMBL5133789)	Inhibition of TrkA (unknown origin)
50016656	17	ChEMBL_2220456 (CHEMBL5133790)	Inhibition of TrkB (unknown origin)
50016656	18	ChEMBL_2220457 (CHEMBL5133791)	Inhibition of TrkC (unknown origin)
50016656	19	ChEMBL_2220458 (CHEMBL5133792)	Inhibition of ROS1 (unknown origin)
50016656	20	ChEMBL_2220459 (CHEMBL5133793)	Inhibition of ALK (unknown origin)
50016656	21	ChEMBL_2220460 (CHEMBL5133794)	Inhibition of ABL (unknown origin)
50016662	1	ChEMBL_2220463 (CHEMBL5133797)	Inhibition of BTK (unknown origin)
50016662	2	ChEMBL_2220464 (CHEMBL5133798)	Binding affinity to ERBB2 (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	3	ChEMBL_2220466 (CHEMBL5133800)	Binding affinity to ERBB4 (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	4	ChEMBL_2220467 (CHEMBL5133801)	Inhibition of pBTK in human whole blood
50016662	5	ChEMBL_2220477 (CHEMBL5133811)	Binding affinity to BLK (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	6	ChEMBL_2220478 (CHEMBL5133812)	Binding affinity to BMX (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	7	ChEMBL_2220479 (CHEMBL5133813)	Binding affinity to BTK (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	8	ChEMBL_2220480 (CHEMBL5133814)	Binding affinity to EGFR (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	9	ChEMBL_2220481 (CHEMBL5133815)	Binding affinity to ITK (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	10	ChEMBL_2220482 (CHEMBL5133816)	Binding affinity to JAK3 (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	11	ChEMBL_2220483 (CHEMBL5133817)	Binding affinity to TEC (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	12	ChEMBL_2220484 (CHEMBL5133818)	Binding affinity to TXK (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50016662	13	ChEMBL_2220494 (CHEMBL5133828)	Inhibition of human CYP1A2
50016662	14	ChEMBL_2220495 (CHEMBL5133829)	Inhibition of human CYP2B6
50016662	15	ChEMBL_2220496 (CHEMBL5133830)	Inhibition of human CYP2C8
50016662	16	ChEMBL_2220497 (CHEMBL5133831)	Inhibition of human CYP2C9
50016662	17	ChEMBL_2220498 (CHEMBL5133832)	Inhibition of human CYP2D6
50016662	18	ChEMBL_2220499 (CHEMBL5133833)	Inhibition of human CYP3A4
50016662	19	ChEMBL_2220500 (CHEMBL5133834)	Inhibition of hERG
50016662	20	ChEMBL_2220508 (CHEMBL5133842)	Inhibition of BTK in human Ramos cells assessed as target occupancy
50016662	21	ChEMBL_2220509 (CHEMBL5133843)	Inhibition of BTK-dependent human TMD8 cell proliferation
50016667	1	ChEMBL_2220510 (CHEMBL5133844)	Inhibition of ALK5 (unknown origin)
50016667	2	ChEMBL_2220530 (CHEMBL5133864)	Inhibition of hERG
50016668	1	ChEMBL_2220531 (CHEMBL5133865)	Agonist activity at OX1R (unknown origin)
50016668	2	ChEMBL_2220534 (CHEMBL5133868)	Agonist activity at OX2R (unknown origin)
50016669	1	ChEMBL_2220549 (CHEMBL5133883)	Inhibition of CYP1A1 (unknown origin)
50016669	2	ChEMBL_2220551 (CHEMBL5133885)	Inhibition of CYP1B1 (unknown origin)
50016671	1	ChEMBL_2220552 (CHEMBL5133886)	Binding affinity to dopamine D2S receptor (unknown origin) by radioligand displacement assay
50016671	2	ChEMBL_2220553 (CHEMBL5133887)	Binding affinity to dopamine D3 receptor (unknown origin) by radioligand displacement assay
50016672	1	ChEMBL_2220555 (CHEMBL5133889)	Inhibition of human constitutive proteasome subunit beta type-5 in human erythrocytes using fluorogenic substrate by UV-spectrometry
50016672	2	ChEMBL_2220560 (CHEMBL5133894)	Inhibition of human constitutive proteasome subunit beta type-2 in human erythrocytes using fluorogenic substrate by UV-spectrometry
50016672	3	ChEMBL_2220561 (CHEMBL5133895)	Inhibition of human constitutive proteasome subunit beta type-1 in human erythrocytes using fluorogenic substrate by UV-spectrometry
50016672	4	ChEMBL_2220562 (CHEMBL5133896)	Inhibition of human proteasome subunit beta type-5i using fluorogenic substrate by UV-spectrometry
50016672	5	ChEMBL_2220563 (CHEMBL5133897)	Inhibition of human proteasome subunit beta type-2i using fluorogenic substrate by UV-spectrometry
50016672	6	ChEMBL_2220564 (CHEMBL5133898)	Inhibition of human proteasome subunit beta type-1i in using fluorogenic substrate by UV-spectrometry
50016674	1	ChEMBL_2220573 (CHEMBL5133907)	Transactivation of Gal4-fused human PPARalpha expressed in CHO cells co expressing pG5-Luc reporter
50016674	2	ChEMBL_2220574 (CHEMBL5133908)	Transactivation of Gal4-fused human PPARgamma expressed in CHO cells co expressing pG5-Luc reporter
50016674	3	ChEMBL_2220575 (CHEMBL5133909)	Transactivation of Gal4-fused human PPARdelta expressed in CHO cells co expressing pG5-Luc reporter
50016674	4	ChEMBL_2220576 (CHEMBL5133910)	Transactivation of Gal4-fused mouse PPARdelta expressed in CHO cells co expressing pG5-Luc reporter
50016675	1	ChEMBL_2220590 (CHEMBL5133924)	CD4 mimetic activity at gp120 in HIV-1 KP-5mvcR infected in human TZM-bl cells assessed as inhibition of viral entry by measuring reduction in RLU by single round assay
50016677	1	ChEMBL_2220605 (CHEMBL5133939)	Inhibition of transphosphorylation of ABL1 SH1-3 domain (64 to 515 residues) (unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2) as substrate measured after 60 mins by caliper method
50016679	1	ChEMBL_2220646 (CHEMBL5133980)	Inhibition of human NaPi2b
50016679	2	ChEMBL_2220647 (CHEMBL5133981)	Inhibition of rat NaPi2b
50016682	1	ChEMBL_2220659 (CHEMBL5133993)	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50016682	2	ChEMBL_2220660 (CHEMBL5133994)	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50016682	3	ChEMBL_2220661 (CHEMBL5133995)	Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50016682	4	ChEMBL_2220662 (CHEMBL5133996)	Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50016683	1	ChEMBL_2220673 (CHEMBL5134007)	Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp measured after 48 hrs by MTT assay
50016683	2	ChEMBL_2220674 (CHEMBL5134008)	Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp in presence of doxorubicin measured after 52 hrs by MTT assay
50016684	1	ChEMBL_2220678 (CHEMBL5134012)	Inhibition of bovine XO assessed as inhibition of uric acid formation using xanthine as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 2 mins by spectrophotometry
50016687	1	ChEMBL_2220704 (CHEMBL5134038)	Binding affinity to SARS-CoV-2 3CL protease at 1.875 to 50 uM by SPR assay
50016687	2	ChEMBL_2220705 (CHEMBL5134039)	Binding affinity to SARS-CoV-2 3CL protease at 1.875 to 50 uM in presence of wallichins D by SPR assay
50016687	3	ChEMBL_2220706 (CHEMBL5134040)	Binding affinity to SARS-CoV-2 3CL protease at 1.875 to 50 uM in presence of wallichins C by SPR assay
50016687	4	ChEMBL_2220707 (CHEMBL5134041)	Inhibition of SARS-CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as flurogenic substrate pre-incubated with compound for 10 mins followed by substrate addition measured after 10 mins by FRET assay
50016687	5	ChEMBL_2220708 (CHEMBL5134042)	Inhibition of SARS-CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as flurogenic substrate pre-incubated with compound for 10 mins followed by substrate addition measured after 10 mins in presence of wallichins D by FRET assay
50016687	6	ChEMBL_2220709 (CHEMBL5134043)	Inhibition of SARS-CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as flurogenic substrate pre-incubated with compound for 10 mins followed by substrate addition measured after 10 mins in presence of wallichins C by FRET assay
50016687	7	ChEMBL_2220714 (CHEMBL5134048)	Binding affinity to SARS-CoV-2 Spike glycoprotein receptor-binding domain at 1.875 to 50 uM by SPR assay
50016687	8	ChEMBL_2220719 (CHEMBL5134053)	Binding affinity to SARS-CoV-2 Spike glycoprotein receptor-binding domain at 1.875 to 50 uM in presence of wallichins D by SPR assay
50016687	9	ChEMBL_2220720 (CHEMBL5134054)	Binding affinity to SARS-CoV-2 Spike glycoprotein receptor-binding domain at 1.875 to 50 uM in presence of wallichins C by SPR assay
50016688	1	ChEMBL_2220831 (CHEMBL5134165)	Binding affinity to Influenza A Puerto Rico/8/1934/H1N1 hemagglutin assessed as dissociation constant by surface plasmon resonance assay
50016691	1	ChEMBL_2220911 (CHEMBL5134245)	Inhibition of human ERG
50016695	1	ChEMBL_2220940 (CHEMBL5134274)	Inhibition of PARP1 (unknown origin) using biotinylated NAD+ as substrate by microplate reader method
50016695	2	ChEMBL_2220941 (CHEMBL5134275)	Inhibition of BRD4-BD1/2 (unknown origin)
50016696	1	ChEMBL_2221491 (CHEMBL5134825)	Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay dependent Cheng-Prusoff equation analysis
50016696	2	ChEMBL_2221492 (CHEMBL5134826)	Inhibition of PKN2 (unknown origin) by TR-FRET-based tracer displacement assay
50016696	3	ChEMBL_2221493 (CHEMBL5134827)	Inhibition of PKN1 (unknown origin) by TR-FRET-based tracer displacement assay dependent Cheng-Prusoff equation analysis
50016696	4	ChEMBL_2221494 (CHEMBL5134828)	Inhibition of PKN1 (unknown origin) by TR-FRET-based tracer displacement assay
50016700	1	ChEMBL_2221538 (CHEMBL5134872)	Inhibition of 5'-AGACAAGGAUGU[flc] mRNA binding to biotinylated His6-tagged Escherichia coli CsrA measured by fluorescence polarization assay
50016700	2	ChEMBL_2221539 (CHEMBL5134873)	Binding affinity towards Pseudomonas aeruginosa RsmA measured by fluorescence polarization assay
50016703	1	ChEMBL_2221582 (CHEMBL5134916)	Agonist activity at human GPR39 receptor expressed in CHO cells assessed as increase in ca2+ flux
50016703	2	ChEMBL_2221584 (CHEMBL5134918)	Positive allosteric activity at human GPR39 receptor expressed in CHO cells assessed as increase in zn2+ induced ca2+ flux
50016704	1	ChEMBL_2221590 (CHEMBL5134924)	Negative allosteric modulation activity at human P2X4 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 40 nM
50016704	2	ChEMBL_2221594 (CHEMBL5134928)	Antagonist activity at human P2X2 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	3	ChEMBL_2221595 (CHEMBL5134929)	Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	4	ChEMBL_2221596 (CHEMBL5134930)	Antagonist activity at human P2X5 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	5	ChEMBL_2221597 (CHEMBL5134931)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	6	ChEMBL_2221602 (CHEMBL5134936)	Negative allosteric modulation activity at human P2X4 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 100 nM
50016704	7	ChEMBL_2221603 (CHEMBL5134937)	Negative allosteric modulation activity at human P2X4 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 200 nM
50016704	8	ChEMBL_2221604 (CHEMBL5134938)	Negative allosteric modulation activity at human P2X7 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 40 nM
50016704	9	ChEMBL_2221605 (CHEMBL5134939)	Negative allosteric modulation activity at human P2X7 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 100 nM
50016704	10	ChEMBL_2221606 (CHEMBL5134940)	Negative allosteric modulation activity at human P2X7 receptor expressed in human 1321N1 cells assessed as ATP induced calcium response by measuring ATP EC50 at 200 nM
50016704	11	ChEMBL_2221614 (CHEMBL5134948)	Antagonist activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in ethidium bromide dye uptake preincubated for 15 mins followed by BzATP addition and measured after 30 mins by Ethidium bromide dye based fluorescence plate reader analysis
50016704	12	ChEMBL_2221616 (CHEMBL5134950)	Negative allosteric modulation activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in ethidium bromide dye uptake preincubated for 15 mins followed by BzATP addition and measured after 30 mins by Ethidium bromide dye based fluorescence plate reader analysis
50016704	13	ChEMBL_2221619 (CHEMBL5134953)	Negative allosteric modulation activity at human P2X4 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	14	ChEMBL_2221621 (CHEMBL5134955)	Negative allosteric modulation activity at human P2X7 receptor expressed in human 1321N1 cells assessed as reduction in intracellular Ca2+ influx incubated for 30 mins by Fura-2 AM based fluorescence assay
50016704	15	ChEMBL_2221622 (CHEMBL5134956)	Antagonist activity at human P2X4 receptor
50016706	1	ChEMBL_2221627 (CHEMBL5134961)	Inhibition of FLT3 ITD mutant (unknown origin)
50016706	2	ChEMBL_2221628 (CHEMBL5134962)	Inhibition of PDGFRalpha (unknown origin)
50016706	3	ChEMBL_2221629 (CHEMBL5134963)	Inhibition of CDK2 (unknown origin)
50016708	1	ChEMBL_2221647 (CHEMBL5134981)	Inhibition of AChE (unknown origin)
50016708	2	ChEMBL_2221648 (CHEMBL5134982)	Inhibition of BuchE (unknown origin)
50016708	3	ChEMBL_2221649 (CHEMBL5134983)	Inhibition of electric eel AChE
50016708	4	ChEMBL_2221651 (CHEMBL5134985)	Inhibition of AChE in rat brain cortex using acetylthiocholine iodide as substrate incubated for 8 mins by Ellman's method
50016709	1	ChEMBL_2221684 (CHEMBL5135018)	Antagonist activity at PAC-1 receptor (unknown origin) expressed in CHO cells assessed as inhibition of PACAP-induced increase in intracellular cAMP level pretreated for 30 mins followed by PACAP stimulation measured after 1 hr by cAMP-Glo assay
50016713	1	ChEMBL_2221809 (CHEMBL5135143)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate in presence of NADPH
50016713	2	ChEMBL_2221810 (CHEMBL5135144)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate pretreated with NADPH
50016714	1	ChEMBL_2222060 (CHEMBL5135394)	Inhibition of rat intestinal maltase assessed as release of D-glucose using maltose as substrate by colorimetric analysis
50016714	2	ChEMBL_2222061 (CHEMBL5135395)	Inhibition of rat intestinal isomaltase assessed as release of p-nitrophenol using p-nitrophenyl glycoside as substrate by spectrometric assay
50016714	3	ChEMBL_2222062 (CHEMBL5135396)	Inhibition of rat intestinal sucrase assessed as release of p-nitrophenol using p-nitrophenyl glycoside as substrate by spectrometric assay
50016714	4	ChEMBL_2222063 (CHEMBL5135397)	Inhibition of human lysosomal alpha glucosidase assessed as release of p-nitrophenol using p-nitrophenyl glycoside as substrate by spectrometric assay
50016714	5	ChEMBL_2222076 (CHEMBL5135410)	Inhibition of jack bean alpha-mannosidase assessed as release of p-nitrophenol using p-nitrophenyl glycoside as substrate by spectrometric assay
50016715	1	ChEMBL_2222119 (CHEMBL5135453)	Antagonist activity at 5-HT2A receptor (unknown origin) expressed in CHO-K1 cells assessed as reduction in intracellular Ca2+ mobilization incubated for 15 mins by FLIPR assay
50016715	2	ChEMBL_2222122 (CHEMBL5135456)	Inhibition of CYP2D6 (unknown origin)
50016715	3	ChEMBL_2222124 (CHEMBL5135458)	Displacement of [3H]-Ketanserin from human 5-HT2A receptor at 50 nM incubated for 1 hr by microbeta scintillation counter analysis
50016715	4	ChEMBL_2222127 (CHEMBL5135461)	Inhibition of hERG potassium channel expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay
50016715	5	ChEMBL_2222144 (CHEMBL5135478)	Inverse agonist activity at 5-HT2A receptor (unknown origin) expressed in mouse NIH3T3 cells using o-nitrophenyl-D-galacto pyranoside incubated for 120 hrs
50016715	6	ChEMBL_2222151 (CHEMBL5135485)	Displacement of [3H]-LSD from human 5-HT2B receptor at 25 uM incubated for 1 hr by microbeta2 beta-counter analysis
50016715	7	ChEMBL_2222152 (CHEMBL5135486)	Displacement of [3H]- Mesulergine from human 5-HT2C receptor at 300 nM incubated for 1 hr by microbeta2 beta-counter analysis
50016715	8	ChEMBL_2222157 (CHEMBL5135491)	Inhibition of CYP1A2 (unknown origin)
50016715	9	ChEMBL_2222158 (CHEMBL5135492)	Inhibition of CYP2C9 (unknown origin)
50016715	10	ChEMBL_2222159 (CHEMBL5135493)	Inhibition of CYP2C19 (unknown origin)
50016715	11	ChEMBL_2222160 (CHEMBL5135494)	Inhibition of CYP3A4 (unknown origin)
50016716	1	ChEMBL_2222229 (CHEMBL5135563)	Inhibition of PKL (unknown origin) for 30 mins by Kinase-Glo Max reagent based luminescence assay
50016717	1	ChEMBL_2222232 (CHEMBL5135566)	Tight binding inhibition of recombinant human MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate at 10 to 30 uM by morrison equation
50016717	2	ChEMBL_2222233 (CHEMBL5135567)	Binding affinity to recombinant human MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate by Michaelis-Menten equation based horseradish peroxidase coupled spectrophotometric analysis
50016717	3	ChEMBL_2222234 (CHEMBL5135568)	Inhibition of recombinant human MAO-B expressed in Pichia pastoris using kynuramine as substrate by fluorescence analysis
50016717	4	ChEMBL_2222235 (CHEMBL5135569)	Inhibition of recombinant human AChE by spectrophotometric Ellman's method
50016717	5	ChEMBL_2222236 (CHEMBL5135570)	Inhibition of recombinant mouse AChE expressed in human HEK293F cells using acetylthiocholine iodide as substrate by spectrophotometric Ellman's method
50016720	1	ChEMBL_2222240 (CHEMBL5135574)	Inhibition of human recombinant carbonic anhydrase 1 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped-flow CO2 hydration assay
50016720	2	ChEMBL_2222241 (CHEMBL5135575)	Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped-flow CO2 hydration assay
50016720	3	ChEMBL_2222242 (CHEMBL5135576)	Inhibition of human recombinant carbonic anhydrase 9 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped-flow CO2 hydration assay
50016720	4	ChEMBL_2222243 (CHEMBL5135577)	Inhibition of human recombinant carbonic anhydrase 12 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped-flow CO2 hydration assay
50016720	5	ChEMBL_2222248 (CHEMBL5135582)	Inhibition of human recombinant carbonic anhydrase 4 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped-flow CO2 hydration assay
50016721	1	ChEMBL_2222249 (CHEMBL5135583)	Inhibition of zebra fish HDAC10 using Ac-spermidine-AMC as substrate incubated for 25 mins and measured by fluorescence assay
50016721	2	ChEMBL_2222252 (CHEMBL5135586)	Inhibition of recombinant human HDAC1 using ZMAL (Z-(Ac)Lys-AMC as substrate incubated for 20 mins and measured by homogenous fluorescence assay
50016721	3	ChEMBL_2222255 (CHEMBL5135589)	Inhibition of recombinant human HDAC6 using ZMAL (Z-(Ac)Lys-AMC as substrate incubated for 20 mins and measured by homogenous fluorescence assay
50016721	4	ChEMBL_2222258 (CHEMBL5135592)	Inhibition of recombinant human HDAC8 using H2N-Arg- His-Lys(Ac)-Lys(Ac)-AMC as substrate incubated for 90 mins and measured after 20 mins by fluorescence assay
50016722	1	ChEMBL_2222292 (CHEMBL5135626)	Inhibition of recombinant human PARP3 expressed in baculovirus expression system using anchored-histone proteins as substrate incubated for 1 hr by chemiluminescence assay
50016722	2	ChEMBL_2222293 (CHEMBL5135627)	Inhibition of PARP16 (unknown origin) using 6xHis-tagged IRE-1 as substrate incubated for 1 hr by chemiluminescence assay
50016722	3	ChEMBL_2222294 (CHEMBL5135628)	Inhibition of wild type CAL PDZ domain (unknown origin) expressed in Escherichia coli Rosette 2 (DE3) assessed as inhibition constant incubated for 20 to 60 mins by fluorescence polarization competition assay
50016722	4	ChEMBL_2222295 (CHEMBL5135629)	Inhibition of CAL PDZ domain (unknown origin) assessed as inhibition constant by fluorescence polarization competition assay
50016722	5	ChEMBL_2222296 (CHEMBL5135630)	Binding affinity to CAL PDZ domain (unknown origin) assessed as dissociation constant in presence of tris(carboxylethyl)phosphine by fluorescence anisotropy analysis
50016724	1	ChEMBL_2222383 (CHEMBL5135717)	Inhibition of wild-type FGFR1 (unknown origin) by radiometric kinase activity assay
50016724	2	ChEMBL_2222384 (CHEMBL5135718)	Inhibition of wild-type FGFR2 (unknown origin) by radiometric kinase activity assay
50016724	3	ChEMBL_2222385 (CHEMBL5135719)	Inhibition of wild-type FGFR3 (unknown origin) by radiometric kinase activity assay
50016724	4	ChEMBL_2222386 (CHEMBL5135720)	Inhibition of wild-type FGFR4 (unknown origin) by radiometric kinase activity assay
50016724	5	ChEMBL_2222387 (CHEMBL5135721)	Inhibition of FGFR1 V561M mutant (unknown origin) by radiometric kinase activity assay
50016724	6	ChEMBL_2222389 (CHEMBL5135723)	Inhibition of FGFR3 V555M mutant (unknown origin) by radiometric kinase activity assay
50016724	7	ChEMBL_2222390 (CHEMBL5135724)	Inhibition of FGFR2 N549H mutant (unknown origin) by radiometric kinase activity assay
50016724	8	ChEMBL_2222391 (CHEMBL5135725)	Inhibition of FGFR3 K650E mutant (unknown origin) by radiometric kinase activity assay
50016724	9	ChEMBL_2222392 (CHEMBL5135726)	Inhibition of FGFR3 K650M mutant (unknown origin) by radiometric kinase activity assay
50016724	10	ChEMBL_2222404 (CHEMBL5135738)	Inhibition of IRAK1 (unknown origin) by biochemical assay
50016724	11	ChEMBL_2222405 (CHEMBL5135739)	Inhibition of MPSK1 (unknown origin) by biochemical assay
50016732	1	ChEMBL_2222484 (CHEMBL5135818)	Inhibition of EGF-stimulated wild-type EGFR phosphorylation in human A-431 cells incubated for 2 hrs by ELISA
50016732	2	ChEMBL_2222485 (CHEMBL5135819)	Inhibition of EGFR T790M mutant phosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA
50016732	3	ChEMBL_2222486 (CHEMBL5135820)	Inhibition of EGFR phosphorylation (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 15 mins in presence of ATP measured after 1 hr by DELPHIA
50016732	4	ChEMBL_2222487 (CHEMBL5135821)	Inhibition of HER2 phosphorylation (676 to 1255 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 15 mins in presence of ATP measured after 1 hr by DELPHIA
50016732	5	ChEMBL_2222488 (CHEMBL5135822)	Inhibition of EGF-stimulated EGFR phosphorylation in human A-431 cells incubated for 3 hrs followed by replacement with fresh medium without compound measured after 5 hrs by immunoblot analysis
50016732	6	ChEMBL_2222489 (CHEMBL5135823)	Inhibition of HER2 phosphorylation in human BT-474 cells incubated for 3 hrs followed by replacement with fresh medium without compound measured after 5 hrs by immunoblot analysis
50016732	7	ChEMBL_2222490 (CHEMBL5135824)	Inhibition of wild-type EGFR phosphorylation (unknown origin)
50016732	8	ChEMBL_2222491 (CHEMBL5135825)	Inhibition of EGFR L858R/T790M mutant phosphorylation (unknown origin)
50016732	9	ChEMBL_2222492 (CHEMBL5135826)	Inhibition of EGFR phosphorylation (unknown origin)
50016732	10	ChEMBL_2222493 (CHEMBL5135827)	Inhibition of HER2 phosphorylation (unknown origin)
50016732	11	ChEMBL_2222494 (CHEMBL5135828)	Inhibition of EGFR phosphorylation in human NCI-H1975 cells
50016732	12	ChEMBL_2222495 (CHEMBL5135829)	Inhibition of wild-type HER2 phosphorylation in human BT-474 cells
50016732	13	ChEMBL_2222497 (CHEMBL5135831)	Inhibition of BTK (unknown origin)
50016732	14	ChEMBL_2222498 (CHEMBL5135832)	Inhibition of TEC (unknown origin)
50016732	15	ChEMBL_2222499 (CHEMBL5135833)	Inhibition of ITK (unknown origin)
50016732	16	ChEMBL_2222500 (CHEMBL5135834)	Inhibition of EGFR (unknown origin)
50016732	17	ChEMBL_2222501 (CHEMBL5135835)	Inhibition of BTK in human whole blood
50016732	18	ChEMBL_2222502 (CHEMBL5135836)	Inhibition of EGFR phosphorylation in human A-431 cells
50016734	1	ChEMBL_2222504 (CHEMBL5135838)	Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 cells assessed as increase in Gq-mediated calcium flux by Fluo-4 direct dye based FLIPR Tetra assay
50016734	2	ChEMBL_2222506 (CHEMBL5135840)	Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 cells assessed as increase in Gq-mediated calcium flux by Fluo-4 direct dye based FLIPR Tetra assay
50016734	3	ChEMBL_2222509 (CHEMBL5135843)	Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 cells assessed as increase in Gq-mediated calcium flux by Fluo-4 direct dye based FLIPR Tetra assay
50016734	4	ChEMBL_2222511 (CHEMBL5135845)	Binding affinity to 5HT2C receptor (unknown origin) assessed as inhibition constant
50016734	5	ChEMBL_2222512 (CHEMBL5135846)	Binding affinity to 5HT3 receptor (unknown origin) assessed as inhibition constant
50016734	6	ChEMBL_2222514 (CHEMBL5135848)	Binding affinity to 5HT5A receptor (unknown origin) assessed as inhibition constant
50016734	7	ChEMBL_2222515 (CHEMBL5135849)	Binding affinity to 5HT6 receptor (unknown origin) assessed as inhibition constant
50016734	8	ChEMBL_2222516 (CHEMBL5135850)	Binding affinity to 5HT7 receptor (unknown origin) assessed as inhibition constant
50016734	9	ChEMBL_2222517 (CHEMBL5135851)	Binding affinity to alpha2c (unknown origin) assessed as inhibition constant
50016734	10	ChEMBL_2222520 (CHEMBL5135854)	Binding affinity to beta1 receptor (unknown origin) assessed as inhibition constant
50016734	11	ChEMBL_2222521 (CHEMBL5135855)	Binding affinity to D3 receptor (unknown origin) assessed as inhibition constant
50016734	12	ChEMBL_2222523 (CHEMBL5135857)	Binding affinity to D4 receptor (unknown origin) assessed as inhibition constant
50016734	13	ChEMBL_2222525 (CHEMBL5135859)	Binding affinity to SERT receptor (unknown origin) assessed as inhibition constant
50016734	14	ChEMBL_2222527 (CHEMBL5135861)	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50016734	15	ChEMBL_2222529 (CHEMBL5135863)	Binding affinity to 5HT2B receptor (unknown origin) assessed as inhibition constant
50016734	16	ChEMBL_2222530 (CHEMBL5135864)	Binding affinity to 5HT2A receptor (unknown origin) assessed as inhibition constant
50016734	17	ChEMBL_2222532 (CHEMBL5135866)	Binding affinity to 5HT1E receptor (unknown origin) assessed as inhibition constant
50016734	18	ChEMBL_2222533 (CHEMBL5135867)	Binding affinity to 5HT1D receptor (unknown origin) assessed as inhibition constant
50016734	19	ChEMBL_2222535 (CHEMBL5135869)	Binding affinity to 5HT1B receptor (unknown origin) assessed as inhibition constant
50016734	20	ChEMBL_2222536 (CHEMBL5135870)	Binding affinity to 5HT1A receptor (unknown origin) assessed as inhibition constant
50016734	21	ChEMBL_2222537 (CHEMBL5135871)	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50016737	1	ChEMBL_2222576 (CHEMBL5135910)	Inhibition of SARS-CoV-2 nsp13 helicase-associated activity using 5'- AGT CTT CTC CTG GTG CTC GAA CAG TGA CCy3-3', 5'- BHQ-2-GTC ACT GTT CGA GCA CCA CCT CTT CTG A-3' DNA as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins in the presence of ATP by fluorescent-based helicase unwind assay
50016737	2	ChEMBL_2222578 (CHEMBL5135912)	Inhibition of SARS-CoV-2 nsp13 ATPase-associated activity using ATP as substrate incubated for 30 mins by Biomol Green Reagent based assay
50016738	1	ChEMBL_2222582 (CHEMBL5135916)	Binding affinity to wild type JAK2 JH2 pseudokinase domain (unknown origin) expressed in Sf9 cells and measured upto 30 mins by competitive fluorescence polarization assay
50016738	2	ChEMBL_2222584 (CHEMBL5135918)	Binding affinity to wild type JAK2 JH2 pseudokinase domain (unknown origin) V617F mutant expressed in Sf9 cells and measured upto 30 mins by competitive fluorescence polarization assay
50016741	1	ChEMBL_2222608 (CHEMBL5135942)	Agonist activity at human 5-HT2A receptor expressed in cells assessed as increase in calcium mobilization by Calcium-6 dye based FLIPR assay
50016742	1	ChEMBL_2222610 (CHEMBL5135944)	Inhibition of human LSD1 assessed as demethylase activity of LSD1 using Histone H3(1-20)K4me2 peptide as substrate incubated for 10 mins followed by substrate addition by peroxidase-coupled reaction assay
50016742	2	ChEMBL_2222612 (CHEMBL5135946)	Inhibition of human LSD1 assessed as inhibitory constant using Histone H3(1-20)K4me2 peptide as substrate incubated for 10 mins followed by substrate addition by peroxidase-coupled reaction assay
50016742	3	ChEMBL_2222618 (CHEMBL5135952)	Inhibition of MAO-A (unknown origin) using tyramine as substrate and measured after 10 mins by peroxidase-coupled reaction method
50016742	4	ChEMBL_2222619 (CHEMBL5135953)	Inhibition of MAO-B (unknown origin) using tyramine as substrate and measured after 10 mins by peroxidase-coupled reaction method
50016743	1	ChEMBL_2222625 (CHEMBL5135959)	Modulation of CFTR F508 deletion mutant expressed in HBE cells assessed as change in short circuit current incubated for 18 to 24 hrs in presence of forskolin, amiloride and human serum by voltage-clamp based chamber assay
50016749	1	ChEMBL_2222626 (CHEMBL5135960)	Inhibition of human P2X4 stably expressed in human HEK293 cells assessed as intracellular calcium flux incubated for 30 mins in presence of agonist Benzoylbenzoyl-ATP by Fluo8-AM dye based FLIPR assay
50016750	1	ChEMBL_2222628 (CHEMBL5135962)	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant using fluorescein labeled LRRKtide peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 90 mins in presence of ATP at Km concentration by TR-FRET Lanthascreen assay
50016757	1	ChEMBL_2222629 (CHEMBL5135963)	Inhibition of BODIPY loaded KRAS G12C mutant (unknown origin) assessed as inhibition of GDP-GTP exchange rate in presence of SOS1/GppNHp incubated for 2 hr by BODIPY fluorescence assay
50016757	2	ChEMBL_2222630 (CHEMBL5135964)	Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in ERK phosphorylation incubated for 2 to 4 hrs by HTRF assay
50016762	1	ChEMBL_2222631 (CHEMBL5135965)	Inhibition of human Nav1.8 channel stably expressed in HEK293 cells assessed as sodium current flow at holding potential of -90mV by whole-cell voltage clamp assay
50016763	1	ChEMBL_2222652 (CHEMBL5135986)	Inhibition of human DHODH using dihydroorotate as substrate and Q6 as coenzyme by DCIP dye based spectrophotometry analysis
50016764	1	ChEMBL_2222656 (CHEMBL5135990)	Antagonist activity at gardiquimod stimulated human TRL7 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by gardiquimod stimulation measured after 22 hrs by SEAP reporter assay
50016764	2	ChEMBL_2222657 (CHEMBL5135991)	Antagonist activity at R848 stimulated human TRL8 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by R848 stimulation measured after 22 hrs by SEAP reporter assay
50016764	3	ChEMBL_2222658 (CHEMBL5135992)	Antagonist activity at ODN2006 stimulated human TRL9 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by ODN2006 stimulation measured after 22 hrs by SEAP reporter assay
50016764	4	ChEMBL_2222660 (CHEMBL5135994)	Antagonist activity at Poly C stimulated human TRL3 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by Poly C stimulation measured after 22 hrs by SEAP reporter assay
50016764	5	ChEMBL_2222661 (CHEMBL5135995)	Antagonist activity at LPD-RK stimulated human TRL4 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated with compound for 30 mins followed by LPD-RK stimulation measured after 22 hrs by SEAP reporter assay
50016764	6	ChEMBL_2222662 (CHEMBL5135996)	Antagonist activity at ODN-2216 stimulated TLR9 in human PBMC cells assessed as inhibition of IL-6 production by ELISA analysis
50016764	7	ChEMBL_2222663 (CHEMBL5135997)	Antagonist activity at gardiquimod stimulated TRL7 in human PBMC cells assessed as inhibition of IL-6 production by ELISA analysis
50016764	8	ChEMBL_2222664 (CHEMBL5135998)	Antagonist activity at ODN-2216 stimulated TLR9 in human whole blood assessed as inhibition of IL-6 production by ELISA analysis
50016764	9	ChEMBL_2222665 (CHEMBL5135999)	Antagonist activity at R848 stimulated TRL8 in human whole blood assessed as inhibition of IL-6 production by ELISA analysis
50016764	10	ChEMBL_2222666 (CHEMBL5136000)	Antagonist activity at gardiquimod stimulated TRL7 in human whole blood assessed as inhibition of IL-6 production by ELISA analysis
50016764	11	ChEMBL_2222667 (CHEMBL5136001)	Antagonist activity at ODN-2216 stimulated TLR9 in mouse whole blood assessed as inhibition of IL-6 production by ELISA analysis
50016764	12	ChEMBL_2222668 (CHEMBL5136002)	Antagonist activity at gardiquimod stimulated TRL7 in mouse whole blood assessed as inhibition of IL-6 production by ELISA analysis
50016765	1	ChEMBL_2222730 (CHEMBL5136064)	Inhibition of EZH2 in human G-401 cells assessed as reduction in H3K27 methylation incubated for 48 hrs by ELISA
50016766	1	ChEMBL_2222731 (CHEMBL5136065)	Inhibition of HIV-1 reverse transcriptase using oligo(dT)16 as primer measured after 40 mins by picogreen-dye based spectrofluorometric analysis
50016766	2	ChEMBL_2222737 (CHEMBL5136071)	Inhibition of human ERG potassium channel
50016766	3	ChEMBL_2222743 (CHEMBL5136077)	Inhibition of human ERG potassium channel transfected in CHO cells by automated patch clamp assay
50016766	4	ChEMBL_2222744 (CHEMBL5136078)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 45 mins in presence of NADPH
50016766	5	ChEMBL_2222745 (CHEMBL5136079)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 to 45 mins in presence of NADPH
50016766	6	ChEMBL_2222746 (CHEMBL5136080)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 to 45 mins in presence of NADPH
50016766	7	ChEMBL_2222747 (CHEMBL5136081)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 45 mins in presence of NADPH
50016766	8	ChEMBL_2222748 (CHEMBL5136082)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 15 to 45 mins in presence of NADPH
50016769	1	ChEMBL_2222785 (CHEMBL5136119)	Displacement of [3H]-estradiol from recombinant full-length human estrogen beta receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis
50016769	2	ChEMBL_2222787 (CHEMBL5136121)	Displacement of [3H]-aldosterone from rat mineralocorticoid receptor incubated overnight by liquid scintillation counting analysis
50016769	3	ChEMBL_2222788 (CHEMBL5136122)	Displacement of [3H]-aldosterone from recombinant human mineralocorticoid receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis
50016769	4	ChEMBL_2222791 (CHEMBL5136125)	Displacement of [3H]-methyltrienolene from human androgen receptor incubated overnight by liquid scintillation counting analysis
50016769	5	ChEMBL_2222792 (CHEMBL5136126)	Displacement of [3H]-dexamethasone from rat glucocorticoid receptor incubated overnight by liquid scintillation counting analysis
50016769	6	ChEMBL_2222793 (CHEMBL5136127)	Displacement of [3H]-dexamethasone from recombinant full length human glucocorticoid receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis
50016769	7	ChEMBL_2222802 (CHEMBL5136136)	Antagonist activity at human wild-type mineralocorticoid receptor expressed in CHO-K1 cells assessed as inhibition of aldosterone-induced transcriptional activity incubated for 24 hrs in presence of 1 nM aldosterone by Steady-Glo reagent based reporter gene assay
50016770	1	ChEMBL_2222846 (CHEMBL5136180)	Binding affinity to JAK2 JH2 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as dissociation constant measured upto 30 mins in presence of tracer by competitive fluorescence polarization assay
50016770	2	ChEMBL_2222851 (CHEMBL5136185)	Binding affinity to wild type JAK2 JH1 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as dissociation constant measured upto 30 mins in presence of tracer by competitive fluorescence polarization assay
50016770	3	ChEMBL_2222853 (CHEMBL5136187)	Binding affinity to JAK2 JH2 V617F mutant (unknown origin) expressed in baculovirus infected Sf9 cells assessed as dissociation constant measured upto 30 mins in presence of tracer by competitive fluorescence polarization assay
50016770	4	ChEMBL_2222856 (CHEMBL5136190)	Inhibition of JAK2 JH2 V617F mutant in human HEL cells
50016770	5	ChEMBL_2222857 (CHEMBL5136191)	Inhibition of JAK2 JH2 V617F mutant in human HEL cells assessed as reduction in STAT5 phosphorylation at 0.5 to 25 uM measured after 1 hrs by Western blotting analysis
50016775	1	ChEMBL_2222867 (CHEMBL5136201)	Inhibition of human C-terminal nanoLuc-tagged BCL6 expressed in HEK293T cells co-expressing HaloTagged-SMRT using NanoBRET furimazine as substrate incubated for 6 hrs by NanoBRET assay
50016775	2	ChEMBL_2222868 (CHEMBL5136202)	Inhibition of human N-terminal thioredoxin 6-His tagged BCL6 BTB domain (5 to 129 residues) expressed in Escherichia coli BL21-AI using BCOR-AF633 peptide as substrate incubated for 2 hrs by TR-FRET assay
50016776	1	ChEMBL_2222909 (CHEMBL5136243)	Inhibition of BTK (unknown origin)
50016777	1	ChEMBL_2222950 (CHEMBL5136284)	Binding affinity to human wild type partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system assessed as immobilized ligand binding by competitive binding assay
50016777	2	ChEMBL_2222951 (CHEMBL5136285)	Binding affinity to human partial length EGFR (R669 to V1011 residues) L858R mutant expressed in bacterial expression system assessed as immobilized ligand binding by competitive binding assay
50016779	1	ChEMBL_2223032 (CHEMBL5136366)	Binding affinity to human N-terminal TEV cleavable 6His tagged p47phox (151-285 residues) assessed as dissociation rate constant by Surface plasmon resonance assay
50016782	1	ChEMBL_2223033 (CHEMBL5136367)	Inhibition of full-length wild type LRRK2 (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay
50016782	2	ChEMBL_2223034 (CHEMBL5136368)	Inhibition of full-length LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay
50016782	3	ChEMBL_2223036 (CHEMBL5136370)	Inhibition of mouse full-length LRRK2 G2019S mutant transfected in HEK293 cells using LRRKtide as substrate in presence of ATP by incubated for 1 hr TR-FRET based ADAPTA assay
50016782	4	ChEMBL_2223038 (CHEMBL5136372)	Inhibition of mouse full-length wild type LRRK2 transfected in HEK293 cells using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay
50016783	1	ChEMBL_2223058 (CHEMBL5136392)	Inhibition of recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 DE3 using FAM-KTSAVLQSGFRKMEK-TAMRA fluorogenic peptide as substrate preincubated for 1 hr followed by substrate addition measured after 30 mins by FRET assay
50016784	1	ChEMBL_2223059 (CHEMBL5136393)	Inhibition of human Bis-phosphoglycerate mutase using 3-PG, GAP and NAD as substrate preincubated for 30 mins followed by substrate addition and measured after 100 mins in presence of GAPDH by resazurin reagent based fluorescence analysis
50016787	1	ChEMBL_2223061 (CHEMBL5136395)	Antagonist activity at human wild type A1R expressed in CHO-K1 cells assessed as inhibition of forskolin/ NECA-stimulated cAMP accumulation by measuring NECA-mediated cAMP stimulation at 1 uM incubated with NECA for 30 mins by LANCE cAMP detection assay
50016787	2	ChEMBL_2223062 (CHEMBL5136396)	Antagonist activity at human wild type A3R expressed in Flp-In-CHO cells assessed as inhibition of forskolin/ NECA-stimulated cAMP accumulation by measuring NECA-mediated cAMP stimulation at 1 uM incubated with NECA for 30 mins by LANCE cAMP detection assay
50016787	3	ChEMBL_2223063 (CHEMBL5136397)	Binding affinity to wild type human A1R in presence of CA200645 by saturation NanoBRET binding assay
50016787	4	ChEMBL_2223064 (CHEMBL5136398)	Displacement of CA200645 from NLuc human A1 receptor expressed in HEK293 cells assessed as inhibition constant by NanoBRET binding assay
50016787	5	ChEMBL_2223065 (CHEMBL5136399)	Displacement of CA200645 from NLuc human A3 receptor expressed in HEK293 cells assessed as inhibition constant by NanoBRET binding assay
50016787	6	ChEMBL_2223068 (CHEMBL5136402)	Binding affinity to NLuc human A3 receptor expressed in HEK293 cells assessed as dissociation constant by NanoBRET assay
50016787	7	ChEMBL_2223071 (CHEMBL5136405)	Binding affinity to NLuc human A1 receptor expressed in HEK293 cells assessed as dissociation constant by NanoBRET assay
50016787	8	ChEMBL_2223076 (CHEMBL5136410)	Binding affinity to human A1R E172 5.30A mutant in presence of CA200645 by saturation NanoBRET binding assay
50016787	9	ChEMBL_2223077 (CHEMBL5136411)	Binding affinity to human A1R L250 6.51A mutant in presence of CA200645 by saturation NanoBRET binding assay
50016787	10	ChEMBL_2223078 (CHEMBL5136412)	Binding affinity to human A1R H251 6.52A mutant in presence of CA200645 by saturation NanoBRET binding assay
50016787	11	ChEMBL_2223084 (CHEMBL5136418)	Antagonist activity at human wild type A3R expressed in Flp-In-CHO cells assessed as inhibition of forskolin/ NECA-stimulated cAMP accumulation by measuring NECA-mediated cAMP stimulation at 10 uM incubated with NECA for 30 mins by LANCE cAMP detection assay
50016788	1	ChEMBL_2223092 (CHEMBL5136426)	Inhibition of RAF in human WM3629 cells assessed as ERK phosphorylation at Thr202/Tyr204 residue incubated for 6 hrs by HTRF assay
50016788	2	ChEMBL_2223093 (CHEMBL5136427)	Inhibition of RAF in human A-375 cells assessed as ERK phosphorylation at Thr202/Tyr204 residue incubated for 6 hrs by HTRF assay
50016792	1	ChEMBL_2223096 (CHEMBL5136430)	Inhibition of human SPPL2A expressed in human U2OS cells assessed as nuclear mask transferring to EGFP channel using EGFP-labeled TNFalpha (aa1-76) NTF as substrate and measured after 24 hrs by Hoechst staining based translocation assay
50016794	1	ChEMBL_2223097 (CHEMBL5136431)	Positive allosteric modulator activity at human GIPR expressed in HEK293 cells assessed as potentiation of intracellular cAMP accumulation incubated for 30 mins in presence of GIPR agonist GIP(I-42) by HTRF assay
50016794	2	ChEMBL_2223098 (CHEMBL5136432)	Positive allosteric modulator activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of intracellular cAMP accumulation incubated for 60 mins in presence of GLP-1R agonist oxyntomodulin by HTRF assay
50016796	1	ChEMBL_2223099 (CHEMBL5136433)	Binding affinity to N-terminal His-tagged DC-SIGN CRD (194 to 331 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by HSQC-NMR spectrum analysis
50016796	2	ChEMBL_2223100 (CHEMBL5136434)	Binding affinity to DC-SIGN ECD (66 to 404 residue) (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by STD reporter assay based NMR spectroscopy analysis
50016797	1	ChEMBL_2223142 (CHEMBL5136476)	Inhibition of human SERT transfected in HEK cells using APP+ as fluorescent substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by fluorescence plate reader assay
50016797	2	ChEMBL_2223143 (CHEMBL5136477)	Inhibition of rat VMAT2 transfected in HEK cells using FFN206 as fluorescent substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by fluorescence plate reader assay
50016799	1	ChEMBL_2223144 (CHEMBL5136478)	Inhibition of human plasma kallikrein assessed as substrate hydrolysis using acetyl-K-P-R-AFC as substrate by spectrofluorometric analysis
50016800	1	ChEMBL_2223194 (CHEMBL5136528)	Agonist activity at human FPR2 overexpressing CHO cells assessed as reduction in intracellular cAMP level incubated for 30 mins by HTRF assay
50016800	2	ChEMBL_2223195 (CHEMBL5136529)	Agonist activity at human FPR1 overexpressing CHO cells assessed as reduction in intracellular cAMP level incubated for 30 mins by HTRF assay
50016800	3	ChEMBL_2223196 (CHEMBL5136530)	Agonist activity at human FPR2 in human HL-60 cells assessed as inhibition of chemotaxis by measuring reduction in cell migration
50016801	1	ChEMBL_2223201 (CHEMBL5136535)	Inhibition of GCS in human A-375 cells using C6-ceramide and UDP-glucose as substrate preincubated for 30 mins followed by substrate addition measured after 20 hrs by UDP-Glo glucosylceramide synthase based luminometer analysis
50016804	1	ChEMBL_2223202 (CHEMBL5136536)	Inhibition of hERG cardiac ion channel
50016804	2	ChEMBL_2223208 (CHEMBL5136542)	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity incubated for 25 min by ethidium bromide/bromophenol blue staining based agarose gel electrophoresis analysis
50016804	3	ChEMBL_2223209 (CHEMBL5136543)	Inhibition of Staphylococcus aureus DNA topoisomerase 4 decatenation activity using kDNA as substrate incubated for 10 to 20 min by ethidium bromide/bromophenol blue staining based agarose gel electrophoresis analysis
50016805	1	ChEMBL_2223229 (CHEMBL5136563)	Inhibition of recombinant biotinylated KRAS G12D mutant (unknown origin) assessed as inhibition of SOS-catalyzed nucleotide exchange preincubated for 60 mins followed by addition of human SOS protein and unlabeled GTP and measured after 60 mins by TR-FRET analysis
50016805	2	ChEMBL_2223231 (CHEMBL5136565)	Inhibition of KRAS in human ASPC1 cells harboring KRAS G12D mutant assessed as inhibition of ERK phosphorylation incubated for 2 hrs by AlphaScreen-based LDH membrane integrity assay
50016805	3	ChEMBL_2223232 (CHEMBL5136566)	Inhibition of KRAS in human ASPC1 cells harboring KRAS G12D mutant assessed as inhibition of ERK phosphorylation incubated for 18 hrs by AlphaScreen-based LDH membrane integrity assay
50016807	1	ChEMBL_2223237 (CHEMBL5136571)	Inhibition of human RIPK2 incubated for 120 mins in presence of [gamma33P]ATP by scintillation counting based radiometry assay
50016807	2	ChEMBL_2223273 (CHEMBL5136607)	Inhibition of human DDR1 by kinase assay
50016807	3	ChEMBL_2223274 (CHEMBL5136608)	Inhibition of human c-SRC by kinase assay
50016807	4	ChEMBL_2223275 (CHEMBL5136609)	Inhibition of human SIK by kinase assay
50016807	5	ChEMBL_2223276 (CHEMBL5136610)	Inhibition of human PDGFRbeta by kinase assay
50016807	6	ChEMBL_2223277 (CHEMBL5136611)	Inhibition of human KIT by kinase assay
50016807	7	ChEMBL_2223278 (CHEMBL5136612)	Inhibition of human FLT3 by kinase assay
50016807	8	ChEMBL_2223279 (CHEMBL5136613)	Inhibition of human RIPK1 by kinase assay
50016807	9	ChEMBL_2223280 (CHEMBL5136614)	Binding affinity to human RIPK1 in human Jurkat cells
50016807	10	ChEMBL_2223281 (CHEMBL5136615)	Binding affinity to human RIPK2 in HEK293 cells
50016807	11	ChEMBL_2223282 (CHEMBL5136616)	Binding affinity to human RIPK3 in human Jurkat cells
50016807	12	ChEMBL_2223283 (CHEMBL5136617)	Binding affinity to human RIPK4
50016807	13	ChEMBL_2223284 (CHEMBL5136618)	Binding affinity to human RIPK5
50016808	1	ChEMBL_2223304 (CHEMBL5136638)	Inhibition of Lactobacillus casei ECF-FolT assessed as inhibition of radiolabelled folic acid uptake pre-incubated for 10 mins followed tritium labeled folic acid addition measured after 30 mins by liquid scintillation analysis
50016809	1	ChEMBL_2223314 (CHEMBL5136648)	Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Escherichia coli BL21 using Boc-Abu-Tle-Leu-Gln-AMC37 as fluorogenic substrate pre-incubated for 5 mins followed by substrate addition measured after 60 mins by FRET based assay
50016809	2	ChEMBL_2223316 (CHEMBL5136650)	Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Escherichia coli BL21 assessed as inhibition constant using Boc-Abu-Tle-Leu-Gln-AMC37 as fluorogenic substrate pre-incubated for 5 mins followed by substrate addition measured after 60 mins by FRET based assay
50016809	3	ChEMBL_2223324 (CHEMBL5136658)	Inhibition of his-tagged SARS CoV-2 main protease expressed in HEK cells using Boc-Abu-Tle-Leu-Gln-AMC as substrate
50016809	4	ChEMBL_2223325 (CHEMBL5136659)	Inhibition of full length SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) expression system using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence method
50016809	5	ChEMBL_2223327 (CHEMBL5136661)	Inhibition of SARS CoV-2 main protease
50016810	1	ChEMBL_2223330 (CHEMBL5136664)	Inhibition of His-tagged CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of ATP and [gamma33-P]ATP by radioisotope filter binding assay
50016810	2	ChEMBL_2223338 (CHEMBL5136672)	Inhibition of GST-tagged CDK2/cyclin D1 (unknown origin) expressed in Sf9 cells using RPPTLSPIPHIPR peptide as substrate in presence of ATP and [gamma33-P] ATP by radioisotope filter binding assay
50016810	3	ChEMBL_2223340 (CHEMBL5136674)	Inhibition of GST-tagged human CDK9/Cyclin T1 expressed in Sf9 cells using (YSPTSPS)2KK peptide as substrate in presence of ATP and [gamma33-P] ATP by radioisotope filter binding assay
50016810	4	ChEMBL_2223341 (CHEMBL5136675)	Inhibition of GST-tagged human CDK12/Cyclin K expressed in Sf9 cells using RBER-IRStide peptide as substrate in presence of ATP and [gamma33-P] ATP by radioisotope filter binding assay
50016810	5	ChEMBL_2223342 (CHEMBL5136676)	Inhibition of GST-tagged human CDK13/Cyclin K expressed in Sf9 cells using RBER-IRStide peptide as substrate in presence of ATP and [gamma33-P] ATP by radioisotope filter binding assay
50016811	1	ChEMBL_2223380 (CHEMBL5136714)	Inhibition of human ERG
50016811	2	ChEMBL_2223382 (CHEMBL5136716)	Binding affinity to human IL-17A assessed as thermal stability by measuring increase in unfolding temperature by differential scanning fluorimetry
50016812	1	ChEMBL_2223386 (CHEMBL5136720)	Positive allosteric modulation of recombinant human GluN1/GluN2A receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by whole cell patch clamp method
50016812	2	ChEMBL_2223388 (CHEMBL5136722)	Positive allosteric modulation of recombinant human GluN1/GluN2B receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by whole cell patch clamp method
50016812	3	ChEMBL_2223412 (CHEMBL5136746)	Inhibition of CYP1A2 (unknown origin)
50016812	4	ChEMBL_2223413 (CHEMBL5136747)	Inhibition of CYP2B6 (unknown origin)
50016812	5	ChEMBL_2223414 (CHEMBL5136748)	Inhibition of CYP2C8 (unknown origin)
50016812	6	ChEMBL_2223415 (CHEMBL5136749)	Inhibition of CYP2C9 (unknown origin)
50016812	7	ChEMBL_2223416 (CHEMBL5136750)	Inhibition of CYP2C19 (unknown origin)
50016812	8	ChEMBL_2223417 (CHEMBL5136751)	Inhibition of CYP2D6 (unknown origin)
50016812	9	ChEMBL_2223418 (CHEMBL5136752)	Inhibition of CYP3A4 (unknown origin)
50016812	10	ChEMBL_2223423 (CHEMBL5136757)	Inhibition of NaV1.5 (unknown origin)
50016812	11	ChEMBL_2223424 (CHEMBL5136758)	Inhibition of human ERG
50016812	12	ChEMBL_2223425 (CHEMBL5136759)	Inhibition of KCNQ1/MINK (unknown origin) by patch clamp method
50016812	13	ChEMBL_2223426 (CHEMBL5136760)	Inhibition of CaV1.2 (unknown origin) by patch clamp method
50016812	14	ChEMBL_2223428 (CHEMBL5136762)	Inhibition of Kv1.5 (unknown origin) by patch clamp method
50016812	15	ChEMBL_2223429 (CHEMBL5136763)	Inhibition of Kir2.1 (unknown origin) by patch clamp method
50016812	16	ChEMBL_2223430 (CHEMBL5136764)	Inhibition of HCN2 (unknown origin) by patch clamp method
50016812	17	ChEMBL_2223431 (CHEMBL5136765)	Positive allosteric modulation of recombinant human GluN1/GluN2C receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by whole cell patch clamp method
50016812	18	ChEMBL_2223432 (CHEMBL5136766)	Positive allosteric modulation of recombinant human GluN1/GluN2D receptor stably expressed in HEK293 cells assessed as increase in glycine/L-glutamate-induced channel current at -70 mV holding potential by whole cell patch clamp method
50016814	1	ChEMBL_2223456 (CHEMBL5136790)	Inhibition of human full length USP8 overexpressed in baculovirus-infected insect cells using ubiquitin-C-terminal 7-amido-4-methylcoumarin as substrate by fluorescence spectroscopy
50016814	2	ChEMBL_2223457 (CHEMBL5136791)	Inhibition of human full length USP7 overexpressed in baculovirus-infected insect cells using ubiquitin-C-terminal 7-amido-4-methylcoumarin as substrate by fluorescence spectroscopy
50016814	3	ChEMBL_2223458 (CHEMBL5136792)	Inhibition of USP7 (unknown origin) by surface plasmon resonance method
50016814	4	ChEMBL_2223459 (CHEMBL5136793)	Inhibition of N-terminal His6-tagged USP8 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using ubiquitin-rhodamine -110 as substrate incubated for 15 mins followed by substrate addition measured after 1 hrs by ubiquitin-rhodamine-110 based fluorometric assay
50016814	5	ChEMBL_2223460 (CHEMBL5136794)	Inhibition of N-terminal His6-tagged USP8 (unknown origin) catalytic domain (734 to 1110 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as deubiquitinating activity using ubiquitin-rhodamine -110 as substrate incubated for 30 mins followed by substrate addition measured after 30 mins by ubiquitin-rhodamine-110 based fluorometric assay
50016814	6	ChEMBL_2223461 (CHEMBL5136795)	Binding affinity to N-terminal His6-tagged USP8 catalytic domain (734 to 1110 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance method
50016814	7	ChEMBL_2223467 (CHEMBL5136801)	Inhibition of USP2 (267 to 599 residues) (unknown origin) catalytic domain expressed in Escherichia coli BL21 (DE3) cells using ubiquitin-rhodamine -110 as substrate incubated for 30 mins followed by substrate addition measured after 30 mins by ubiquitin-rhodamine-110 based fluorometric assay
50016818	1	ChEMBL_2223517 (CHEMBL5136851)	Inhibition of recombinant N-terminal GST-tagged human ROCK2 (5 to 554 residues) expressed in baculovirus infected Sf9 cells using S6K as substrate incubated for 30 mins in presence of ATP by ADP Glo kinase assay
50016818	2	ChEMBL_2223525 (CHEMBL5136859)	Inhibition of PKA (unknown origin)
50016818	3	ChEMBL_2223526 (CHEMBL5136860)	Inhibition of AKT (unknown origin)
50016818	4	ChEMBL_2223527 (CHEMBL5136861)	Inhibition of full length recombinant N-terminal GST-tagged human PKG expressed in baculovirus infected Sf9 insect cells using RSK as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of ATP by ADP Glo kinase assay
50016818	5	ChEMBL_2223528 (CHEMBL5136862)	Time dependent inhibition of CYP1A2 in pooled human liver microsomes using midazolam as substrate preincubated for 30 mins in presence of NADPH followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50016818	6	ChEMBL_2223575 (CHEMBL5136909)	Inhibition of wild-type human full length LIMK2 (M1 to P638 residues) expressed in bacterial expression system by Kinomescan method
50016820	1	ChEMBL_2223580 (CHEMBL5136914)	Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH-SY5Y cells membrane assessed as inhibition constant preincubated for 5 mins followed by overnight incubation with [125I]alpha-bungarotoxin by beta liquid scintilation analysis
50016820	2	ChEMBL_2223581 (CHEMBL5136915)	Displacement of [3H]-epibatidine from human alpha3beta4 nAChR expressed in SH-EP1 cells membrane assessed as inhibition constant preincubated for 5 mins followed by overnight incubation with [3H]-epibatidine by gamma liquid scintilation counting analysis
50016820	3	ChEMBL_2223582 (CHEMBL5136916)	Displacement of [3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cells membrane assessed as inhibition constant preincubated for 5 mins followed by overnight incubation with [3H]-epibatidine by gamma liquid scintilation counting analysis
50016820	4	ChEMBL_2223583 (CHEMBL5136917)	Antagonist activity at chick alpha7 nAChR expressed in stage VI oocytes assessed as inhibition of acetylcholine-induced current response pretreated for 30 secs followed by co-application with acetylcholine measured after 2 to 4 days in presence of atropine by voltage-clamp technique
50016820	5	ChEMBL_2223584 (CHEMBL5136918)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response treated for 1 sec in presence of acetylcholine at holding potential of -70 mV by two electrode voltage-clamp assay
50016820	6	ChEMBL_2223585 (CHEMBL5136919)	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response treated for 1 sec in presence of acetylcholine at holding potential of -70 mV by two electrode voltage-clamp assay
50016821	1	ChEMBL_2223595 (CHEMBL5136929)	Binding affinity to full length human N-terminal his6-tagged DNMT2 expressed in Escherichia coli Rosetta2(DE3)pLysS assessed as dissociation constant at 100 uM by isothermal titration calorimetry assay
50016821	2	ChEMBL_2223596 (CHEMBL5136930)	Inhibition of full length human N-terminal his6-tagged DNMT2 expressed in Escherichia coli Rosetta2(DE3)pLysS by isothermal titration calorimetry assay
50016822	1	ChEMBL_2223613 (CHEMBL5136947)	Inhibition of LSD1 (unknown origin) (172 to 833 residues) expressed in baculovirus-infected Sf9 insect cells using K4-dimethylated H3 as substrate by peroxidase-coupled method
50016822	2	ChEMBL_2223614 (CHEMBL5136948)	Inhibition of LSD2 (unknown origin) (26 to 822 residues) expressed in baculovirus-infected Sf9 insect cells using K4-dimethylated H3 as substrate by peroxidase-coupled method
50016822	3	ChEMBL_2223619 (CHEMBL5136953)	Inhibition of human ERG by fluorescence polarization assay
50016823	1	ChEMBL_2223681 (CHEMBL5137194)	Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis
50016823	2	ChEMBL_2223682 (CHEMBL5137195)	Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis
50016823	3	ChEMBL_2223683 (CHEMBL5137196)	Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis
50016823	4	ChEMBL_2223684 (CHEMBL5137197)	Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis
50016823	5	ChEMBL_2223685 (CHEMBL5137198)	Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis
50016823	6	ChEMBL_2223686 (CHEMBL5137199)	Inhibition of human ERG stably expressed in CHO cells by automated Qpatch clamp method
50016825	1	ChEMBL_2223690 (CHEMBL5137203)	Displacement of [125I]-Tyr-SRIF 14 from human SST2A receptor expressed in membrane measured after 90 mins by gamma counting analysis
50016825	2	ChEMBL_2223691 (CHEMBL5137204)	Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production measured after 2.5 to 20 hrs in presence of 3-isobutyl-1-methylxanthine by TR-FRET LANCE assay
50016825	3	ChEMBL_2223692 (CHEMBL5137205)	Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membrane measured after 90 mins by gamma counting analysis
50016825	4	ChEMBL_2223693 (CHEMBL5137206)	Displacement of [125I]-Tyr-SRIF 14 from SST1 receptor (unknown origin) expressed in membrane measured after 90 mins by gamma counting analysis
50016825	5	ChEMBL_2223694 (CHEMBL5137207)	Displacement of [125I]-Tyr-SRIF 14 from SST3 receptor (unknown origin) expressed in membrane measured after 90 mins by gamma counting analysis
50016825	6	ChEMBL_2223695 (CHEMBL5137208)	Displacement of [125I]-Tyr-SRIF 14 from SST5 receptor (unknown origin) expressed in membrane measured after 90 mins by gamma counting analysis
50016827	1	ChEMBL_2223705 (CHEMBL5137218)	Inhibition of AChE in human serum by Ellman's method
50016827	2	ChEMBL_2223707 (CHEMBL5137220)	Inhibition of BChE in human serum by Ellman's method
50016828	1	ChEMBL_2223715 (CHEMBL5137228)	Inhibition of pET3a-His-tagged DJ1 (unknown origin) expressed in Escherichia coli BL21 assessed as decrease in esterase activity using DiFMUAc as substrate
50016829	1	ChEMBL_2223721 (CHEMBL5137234)	Displacement of [3H]-nisoxetine from NET in Sprague-Dawley rat brain prefrontal cortex incubated for 180 mins by radioligand binding assay
50016829	2	ChEMBL_2223722 (CHEMBL5137235)	Displacement of [3H]-WIN 3542875 from DAT in Sprague-Dawley rat brain striatum incubated for 120 mins by radioligand binding assay
50016829	3	ChEMBL_2223723 (CHEMBL5137236)	Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat brainstem incubated for 60 mins by radioligand binding assay
50016831	1	ChEMBL_2223759 (CHEMBL5137272)	Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using p-Nph-5'-TMP as substrate measured after 30 mins
50016831	2	ChEMBL_2223760 (CHEMBL5137273)	Inhibition of recombinant human soluble NPP3 expressed in Sf9 insect cells using ATP as substrate measured after 4 hrs by capillary electrophoresis
50016831	3	ChEMBL_2223769 (CHEMBL5137282)	Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016831	4	ChEMBL_2223770 (CHEMBL5137283)	Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50016831	5	ChEMBL_2223771 (CHEMBL5137284)	Inhibition of recombinant human NPP3 expressed in HEK293 cells using p-Nph-5'-TMP as substrate measured after 60 mins by mini-capillary electrophoresis
50016831	6	ChEMBL_2223772 (CHEMBL5137285)	Inhibition of recombinant human NPP3 expressed in CHO cells using ATP as substrate measured after 20 mins by mini-capillary electrophoresis
50016831	7	ChEMBL_2223773 (CHEMBL5137286)	Inhibition of human NPP3 expressed in COS-7 cells using p-Nph-5'-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins
50016831	8	ChEMBL_2223774 (CHEMBL5137287)	Inhibition of human NPP3 expressed in COS-7 cells using p-Nph-5'-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric method
50016831	9	ChEMBL_2223775 (CHEMBL5137288)	Inhibition of human NPP3 expressed in COS-7 cells using p-Nph-5'-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by malachite green reagent based spectrophotometric method
50016831	10	ChEMBL_2223776 (CHEMBL5137289)	Inhibition of NPP3 (unknown origin) using p-Nph-5'-TMP as substrate
50016833	1	ChEMBL_2223792 (CHEMBL5137305)	Inhibition of P2Y12 receptor in human platelet assessed as reduction in ADP-induced VASP phosphorylation by flow cytometry
50016835	1	ChEMBL_2223799 (CHEMBL5137312)	Antagonist activity at human alpha3beta4 nAChR in SH-SY5Y cells assessed as inhibition of calcium flux by FLIPR assay
50016835	2	ChEMBL_2223801 (CHEMBL5137314)	Displacement of [3H]-epibatidine from Lymnaea stagnalis Acetylcholine-binding protein measured after 1 hr by liquid scintillation counter
50016837	1	ChEMBL_2224038 (CHEMBL5137551)	Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells measured after 48 hrs by qRT-PCR analysis
50016837	2	ChEMBL_2224039 (CHEMBL5137552)	Inhibition of SARS CoV-2 3CL protease
50016837	3	ChEMBL_2224041 (CHEMBL5137554)	Binding affinity to SARS CoV-2 main protease pH41A mutant expressed in Escherichia coli BL21 DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by fluorescence based analysis
50016837	4	ChEMBL_2224049 (CHEMBL5137562)	Inhibition of C-terminal 6-His-tagged recombinant SARS CoV-2 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assay
50016837	5	ChEMBL_2224051 (CHEMBL5137564)	Inhibition of C-terminal 6-His-tagged recombinant SARS CoV 3CL protease expressed in Escherichia coli BL21-Gold DE3 cells by FRET assay
50016837	6	ChEMBL_2224053 (CHEMBL5137566)	Inhibition of N-terminal recombinant SARS CoV 2 3CL protease expressed in Escherichia coli BL21-DE3 cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET assay
50016837	7	ChEMBL_2224055 (CHEMBL5137568)	Inhibition of SARS CoV-2 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition measured after 30 mins by FRET assay
50016837	8	ChEMBL_2224056 (CHEMBL5137569)	Binding affinity to SARS CoV-2 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition measured after 30 mins by FRET assay
50016837	9	ChEMBL_2224075 (CHEMBL5137588)	Inhibition of C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as substrate incubated for 10 mins by FRET assay
50016837	10	ChEMBL_2224076 (CHEMBL5137589)	Inhibition of C-terminal GST-tagged full length SARS CoV 3CL protease expressed in Escherichia coli BL21 (DE3) cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as substrate incubated for 10 mins by FRET assay
50016837	11	ChEMBL_2224077 (CHEMBL5137590)	Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry assay
50016837	12	ChEMBL_2224078 (CHEMBL5137591)	Binding affinity to C-terminal GST-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by ESI-MS assay
50016837	13	ChEMBL_2224080 (CHEMBL5137593)	Inhibition of C-terminal His6-tagged full length SARS CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using Thr-Ser-Ala-Val-Leu-Gln-pNA substrate preincubated for 30 mins followed by substrate addition by microplate reader analysis
50016837	14	ChEMBL_2224082 (CHEMBL5137595)	Inhibition of SARS CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assay
50016837	15	ChEMBL_2224084 (CHEMBL5137597)	Inhibition of SARS CoV-2 PL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 substrate by FRET assay
50016837	16	ChEMBL_2224086 (CHEMBL5137599)	Inhibition of SARS CoV-2 PL protease
50016837	17	ChEMBL_2224088 (CHEMBL5137601)	Inhibition of SARS CoV-2 PL protease incubated for 60 mins
50016837	18	ChEMBL_2224089 (CHEMBL5137602)	Inhibition of recombinant SARS CoV-2 PL protease incubated for 60 mins by fluorescence based analysis
50016837	19	ChEMBL_2224090 (CHEMBL5137603)	Inhibition of SARS CoV-2 PL protease (1541 to 1855 residues) incubated for 3 hrs by microplate reader analysis
50016837	20	ChEMBL_2224117 (CHEMBL5137630)	Inhibition of SARS CoV 3CL protease using dabcyl-KTSAVLQ/SGFRKME-edans as substrate incubated for 30 mins followed by substrate addition measured after 30 mins by FRET assay
50016838	1	ChEMBL_2224120 (CHEMBL5137633)	Inhibition of recombinant His-tagged Mnk1 in human Jurkat T cells by Western blotting analysis
50016838	2	ChEMBL_2224122 (CHEMBL5137635)	Inhibition of human lung HIS-tagged Mnk1 transfected in Sf9 cells
50016838	3	ChEMBL_2224123 (CHEMBL5137636)	Inhibition of Mnk2 (unknown origin)
50016838	4	ChEMBL_2224124 (CHEMBL5137637)	Inhibition of human His6-tagged Mnk1 expressed in Escherichia coli assessed as phosphorylation of eukaryotic translation initiation factor 4E
50016838	5	ChEMBL_2224125 (CHEMBL5137638)	Inhibition of human His6-tagged Mnk2 expressed in Escherichia coli assessed as phosphorylation of eukaryotic translation initiation factor 4E
50016838	6	ChEMBL_2224126 (CHEMBL5137639)	Inhibition of Mnk1 (unknown origin)
50016838	7	ChEMBL_2224129 (CHEMBL5137642)	Binding affinity to His-tagged Mnk2 (unknown origin) using D 202 TATKSGSTTKNR 214 as substrate by TR-FRET assay
50016838	8	ChEMBL_2224132 (CHEMBL5137645)	Inhibition of FLAG-tagged BTK (unknown origin) transfected into HEK293T cells incubated for 30 mins followed by ATP addition measured after 20 mins by Western blotting analysis
50016838	9	ChEMBL_2224133 (CHEMBL5137646)	Inhibition of FLAG-tagged Mnk1 (unknown origin) transfected into HEK293 cells incubated for 30 mins followed by ATP addition measured after 30 mins by Western blotting analysis
50016838	10	ChEMBL_2224134 (CHEMBL5137647)	Inhibition of FLAG-tagged Mnk2 (unknown origin) transfected into HEK293 cells incubated for 30 mins followed by ATP addition measured after 30 mins by Western blotting analysis
50016838	11	ChEMBL_2224135 (CHEMBL5137648)	Inhibition of JAK3 (unknown origin)
50016838	12	ChEMBL_2224136 (CHEMBL5137649)	Inhibition of Mnk1 (unknown origin) using eIF4E-derived (D 202 TATKSGSTTKNR 214) peptide as substrate incubated for 90 mins by IMAP TR-FRET assay
50016838	13	ChEMBL_2224137 (CHEMBL5137650)	Inhibition of His-tagged Mnk2 (unknown origin) using eIF4E-derived (D 202 TATKSGSTTKNR 214) peptide as substrate incubated for 90 mins by IMAP TR-FRET assay
50016838	14	ChEMBL_2224138 (CHEMBL5137651)	Inhibition of phosphorylation of eIF4E (unknown origin) in HCT-116 cells
50016838	15	ChEMBL_2224139 (CHEMBL5137652)	Inhibition of Ser 209 phosphorylation of eIF4E (unknown origin)
50016838	16	ChEMBL_2224140 (CHEMBL5137653)	Binding affinity to Mnk1 (unknown origin)
50016838	17	ChEMBL_2224141 (CHEMBL5137654)	Binding affinity to Mnk2 (unknown origin)
50016838	18	ChEMBL_2224146 (CHEMBL5137659)	Inhibition of Mnk1 (unknown origin) by ADP-Glo assay
50016838	19	ChEMBL_2224147 (CHEMBL5137660)	Inhibition of Mnk2 (unknown origin) by ADP-Glo assay
50016838	20	ChEMBL_2224148 (CHEMBL5137661)	Inhibition of eIF4E phosphorylation in human U-937 cells
50016838	21	ChEMBL_2224149 (CHEMBL5137662)	Inhibition of eIF4E phosphorylation in human MV4-11 cells
50016838	22	ChEMBL_2224150 (CHEMBL5137663)	Inhibition of inactive form of MNK1 (unknown origin)
50016838	23	ChEMBL_2224152 (CHEMBL5137665)	Inhibition of human recombinant MNK1 by measuring phosphorylation of biotinylated peptide TR-FRET assay
50016838	24	ChEMBL_2224162 (CHEMBL5137675)	Inhibition of eIF4E (unknown origin)
50016838	25	ChEMBL_2224166 (CHEMBL5137679)	Inhibition of phosphorylation of eIF4E (unknown origin)
50016839	1	ChEMBL_2224167 (CHEMBL5137680)	Inhibition of ALK (unknown origin) incubated for 1 hr by HTRF assay
50016839	2	ChEMBL_2224177 (CHEMBL5137690)	Inhibition of DHODH (unknown origin)
50016839	3	ChEMBL_2224200 (CHEMBL5137713)	Binding affinity to EED (unknown origin) assessed as dissociation constant
50016841	1	ChEMBL_2224215 (CHEMBL5137728)	Inhibition of HDAC1 (unknown origin)
50016841	2	ChEMBL_2224216 (CHEMBL5137729)	Inhibition of HDAC2 (unknown origin)
50016841	3	ChEMBL_2224217 (CHEMBL5137730)	Inhibition of HDAC3 (unknown origin)
50016842	1	ChEMBL_2224220 (CHEMBL5137733)	Activation of human recombinant full length His-tagged PKM2 (Asp354, Lys311, Glu397, Gly315 residues)
50016842	2	ChEMBL_2224222 (CHEMBL5137735)	Inhibition of PKM2 (unknown origin)
50016842	3	ChEMBL_2224223 (CHEMBL5137736)	Activation of PKM2 (unknown origin) Leu353, Tyr390, Phe26 residues incubated for 30 mins by ATP colorimetric/fluorometric assay
50016842	4	ChEMBL_2224224 (CHEMBL5137737)	Activation of PKM2 (unknown origin)
50016842	5	ChEMBL_2224225 (CHEMBL5137738)	Inhibition of human N-terminal 6x-His tagged PKM2 expressed Escherichia coli
50016842	6	ChEMBL_2224226 (CHEMBL5137739)	Inhibition of PKM2 (lle51, Lys207, Hie78, GIn329, Arg73, Hie84, Asn75 residues) in human EC109 cells assessed as miR-122-mediated PKM2 expression
50016842	7	ChEMBL_2224227 (CHEMBL5137740)	Inhibition of human N-terminal His tagged PKM2 expressed in Escherichia coli Gly128, Ser205, Lys367, Gly208, Ile335, Gly363, Asn75, Ser362, lle51 residues
50016842	8	ChEMBL_2224228 (CHEMBL5137741)	Inhibition of Leishmania mexicana PYK (Asn75, Il61, Ser362, Arg73, Gln329 residues) incubated for 15 mins
50016842	9	ChEMBL_2224229 (CHEMBL5137742)	Inhibition of human erythrocytes pyruvate kinase
50016842	10	ChEMBL_2224230 (CHEMBL5137743)	Inhibition of human pyruvate kinase in embryonic cells
50016842	11	ChEMBL_2224231 (CHEMBL5137744)	Inhibition of human pyruvate kinase in tumor cells
50016842	12	ChEMBL_2224232 (CHEMBL5137745)	Inhibition of human N-terminal 6x-His tagged PKM2 expressed Escherichia coli incubated for 60 mins in absence of FBP by LDH-coupled assay
50016842	13	ChEMBL_2224233 (CHEMBL5137746)	Binding affinity to PKM2 (unknown origin) assessed as oxidation of beta-NADH by spectrophotometry based LDH coupled assay
50016842	14	ChEMBL_2224234 (CHEMBL5137747)	Allosteric inhibition of PKM2 (unknown origin) assessed as oxidation of beta-NADH per minute
50016842	15	ChEMBL_2224239 (CHEMBL5137752)	Binding affinity to Leishmania mexicana PK
50016842	16	ChEMBL_2224241 (CHEMBL5137754)	Activation of PKM2 (unknown origin) Asp354, Phe26, Lys311 residues
50016842	17	ChEMBL_2224242 (CHEMBL5137755)	Activation of PKM2 (unknown origin) Phe26, Tyr390, Glu397, Leu353 residues
50016842	18	ChEMBL_2224243 (CHEMBL5137756)	Activation of PKM2 (unknown origin) Glu397, Phe26, Tyr390, Leu353 residues
50016842	19	ChEMBL_2224246 (CHEMBL5137759)	Activation of PKM2 (unknown origin) Leu353, Leu398, Glu397, Tyr390, Phe26 residues assessed as ATP formation preincubated for 30 mins followed by ADP addition measured after 30 mins by Kinase Glo Plus method
50016842	20	ChEMBL_2224249 (CHEMBL5137762)	Activation of PKM2 (unknown origin) Leu353, Tyr390, Phe26, Glu397, Lys311, Asp354 residues
50016842	21	ChEMBL_2224250 (CHEMBL5137763)	Activation of PKM2 (unknown origin) Glu397, Phe26, Leu353, Gly355 residues
50016842	22	ChEMBL_2224251 (CHEMBL5137764)	Activation of PKM2 (unknown origin) Lys311, Asp354, Met30, Phe26 residues
50016842	23	ChEMBL_2224252 (CHEMBL5137765)	Inhibition of PKM2 (unknown origin) Ile51, Asn75, Ser77, Asp177, Hie78, Lys367 residues
50016842	24	ChEMBL_2224253 (CHEMBL5137766)	Inhibition of PKM2 (unknown origin) Gln329, Asp177, Lys207, Ser77, Hie78, Arg73, Ser362 residues
50016842	25	ChEMBL_2224254 (CHEMBL5137767)	Inhibition of PKM2 (unknown origin) Asp177, Asp178, Gln329, Gly295, Thr328, Ser362, Lys367, Ser77 residues
50016842	26	ChEMBL_2224259 (CHEMBL5137772)	Inhibition of PKM2 (unknown origin) Hie78, Gln329, Asp178, Ser362, Asn75, Ile51 residues
50016842	27	ChEMBL_2224264 (CHEMBL5137777)	Inhibition of PKM2 (unknown origin) Hie78, Lys207, Asn75, Ile51, Ser362, Ser205, Gly128 residues
50016842	28	ChEMBL_2224265 (CHEMBL5137778)	Inhibition of PKM2 (unknown origin) Lys207, Hie78, Asp177, Asn75, Thr129, Gly128, Arg73 residues
50016842	29	ChEMBL_2224271 (CHEMBL5137784)	Inhibition of PKM2 (unknown origin) Ala366, Hie78, Asn75, Lys207, Gly363 residues
50016842	30	ChEMBL_2224272 (CHEMBL5137785)	Inhibition of PKM2 (unknown origin) Hie78, Arg73, Thr328 residues by coloroimetric/fluorometric assay
50016842	31	ChEMBL_2224275 (CHEMBL5137788)	Inhibition of recombinant PKM2 (unknown origin) Ser362, Ser205, Gly128, Lys207, Asp177, Hie84, Arg120, Ile51, Lys367 residues
50016842	32	ChEMBL_2224276 (CHEMBL5137789)	Inhibition of recombinant PKM2 (unknown origin) Ser205, Asp177, Asp178, Lys207, Hie78, Gly128, Gly52, Ile51, Asn75, Hie84, Ser77, Lys367 residues
50016842	33	ChEMBL_2224277 (CHEMBL5137790)	Inhibition of recombinant PKM2 (unknown origin) Asp177, Ser77, Gly52, Gly128 residues
50016842	34	ChEMBL_2224278 (CHEMBL5137791)	Inhibition of recombinant PKM2 (unknown origin) Gly128, Asp177, Asp178, Ser362, Hie78, Be51, Asn75 residues
50016842	35	ChEMBL_2224279 (CHEMBL5137792)	Inhibition of recombinant PKM2 (unknown origin) Asp178, Asp177, Hie78, Lys367, Asn75, Il61, Ser362, Gly128 residues
50016842	36	ChEMBL_2224280 (CHEMBL5137793)	Activation of recombinant PKM2 (unknown origin) Phe26, Tyr390, Glu397, Asp354, Leu353 residues
50016842	37	ChEMBL_2224281 (CHEMBL5137794)	Activation of recombinant PKM2 (unknown origin) Glu397, Lys3I I, Asp354, Leu353, Tyr390, His391 residues
50016842	38	ChEMBL_2224282 (CHEMBL5137795)	Inhibition of PKM2 (unknown origin) Ser205, Lys207, Hie78, Lys367, Asn75, Ile51, Thr129 residues
50016842	39	ChEMBL_2224283 (CHEMBL5137796)	Inhibition of PKM2 (unknown origin) Gly128, Hie78, Hie84, Lys207, Asp177, Lys367, Ile51 residues
50016842	40	ChEMBL_2224284 (CHEMBL5137797)	Inhibition of recombinant PKM2 (unknown origin) Thr129, Ser205, Hie78, Lys367, Ala366, Gly52 residues
50016842	41	ChEMBL_2224285 (CHEMBL5137798)	Inhibition of recombinant PKM2 (unknown origin) Gly128, Lys207, Hie78, Asn75, Ile51, Lys367, Gly79 residues
50016842	42	ChEMBL_2224286 (CHEMBL5137799)	Inhibition of recombinant PKM2 (unknown origin) Ile335, Lys367, Lys207, Thr129, Lys206, Lys207, Asn75, Hie78 residues
50016842	43	ChEMBL_2224287 (CHEMBL5137800)	Inhibition of recombinant PKM2 (unknown origin) Asp177, Asp178, Asn75, Ile51, Gly128, Hie78, Lys367 residues
50016842	44	ChEMBL_2224290 (CHEMBL5137803)	Inhibition of PKM2 (unknown origin) Ser362, Lys367, Lys207, Ser77, Asp177, Asp178, Asn75, Gly52, Gly128 residues
50016847	1	ChEMBL_2224292 (CHEMBL5137805)	Inhibition of recombinant his tagged BRD4 BD1 (unknown origin) by Alpha screen assay
50016847	2	ChEMBL_2224354 (CHEMBL5137867)	Inhibition of BRD4 BD1 (unknown origin) by Alpha screen assay
50016847	3	ChEMBL_2224355 (CHEMBL5137868)	Inhibition of BRD4 BD2 (unknown origin) by Alpha screen assay
50016847	4	ChEMBL_2224356 (CHEMBL5137869)	Inhibition of BRD4 BD1 (unknown origin) by fluorescence based assay
50016847	5	ChEMBL_2224357 (CHEMBL5137870)	Inhibition of BRD4 BD2 (unknown origin) by fluorescence based assay
50016847	6	ChEMBL_2224358 (CHEMBL5137871)	Inhibition of Alexa647 labelled MS417 binding to his tagged BRD4 BD1 (unknown origin) by TR-FRET assay
50016847	7	ChEMBL_2224359 (CHEMBL5137872)	Inhibition of Alexa647 labelled MS417 binding to his tagged BRD4 BD2 (unknown origin) by TR-FRET assay
50016847	8	ChEMBL_2224360 (CHEMBL5137873)	Binding affinity to BRD4 BD1 (unknown origin) by isothermal titration calorimetry
50016847	9	ChEMBL_2224361 (CHEMBL5137874)	Binding affinity to BRD4 BD2 (unknown origin) by isothermal titration calorimetry
50016847	10	ChEMBL_2224362 (CHEMBL5137875)	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50016847	11	ChEMBL_2224363 (CHEMBL5137876)	Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay
50016851	1	ChEMBL_2224364 (CHEMBL5137877)	Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins by Ellman's method
50016851	2	ChEMBL_2224376 (CHEMBL5137889)	Displacement of isotopically-labeled PPAR-gamma (unknown origin) assessed as inhibition constant by competitive inhibition assay
50016851	3	ChEMBL_2224379 (CHEMBL5137892)	Inhibition of CYP24 (unknown origin)
50016851	4	ChEMBL_2224380 (CHEMBL5137893)	Displacement of 25-hydroxy-[26,27-methyl-3H]-vitamin D3 from CYP24 in 1,25(OH)2D3-treated human DU-145 cells using 25-(OH)D3 as substrate pretreated with 1,25(OH)2D3 for 24 hrs followed by compound addition measured after 30 mins by HPLC analysis
50016851	5	ChEMBL_2224394 (CHEMBL5137907)	Inhibition of recombinant human MAO-A using kynuramine as substrate by fluorescence spectrophotometry
50016851	6	ChEMBL_2224395 (CHEMBL5137908)	Inhibition of recombinant human MAO-B using kynuramine as substrate by fluorescence spectrophotometry
50016851	7	ChEMBL_2224397 (CHEMBL5137910)	Inhibition of human MAO-A assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50016851	8	ChEMBL_2224398 (CHEMBL5137911)	Inhibition of human MAO-B assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50016851	9	ChEMBL_2224400 (CHEMBL5137913)	Inhibition of MAO-A (unknown origin)
50016851	10	ChEMBL_2224401 (CHEMBL5137914)	Inhibition of MAO-B (unknown origin)
50016851	11	ChEMBL_2224403 (CHEMBL5137916)	Inhibition of recombinant human MAO-A assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50016851	12	ChEMBL_2224404 (CHEMBL5137917)	Inhibition of recombinant human MAO-B assessed as measuring amount of 4-hydroxyquinoline using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50016851	13	ChEMBL_2224405 (CHEMBL5137918)	Displacement of [3H]DPCPX from A1AR in rat whole brain assessed as inhibition constant by radioligand competitive binding assay
50016851	14	ChEMBL_2224406 (CHEMBL5137919)	Displacement of [3H]NECA from A2AAR in rat striata assessed as inhibition constant in presence of N6-cyclopentyladenosine by radioligand competitive binding assay
50016851	15	ChEMBL_2224408 (CHEMBL5137921)	Displacement of [3H]DPCPX from A1AR in rat whole brain membrane assessed as inhibition constant by radioligand competitive binding assay
50016851	16	ChEMBL_2224409 (CHEMBL5137922)	Displacement of [3H]NECA from A2AAR in rat striatal membrane assessed as inhibition constant by radioligand competitive binding assay
50016851	17	ChEMBL_2224411 (CHEMBL5137924)	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 5 mins by Ellman's method
50016851	18	ChEMBL_2224412 (CHEMBL5137925)	Inhibition of BuChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 5 mins by Ellman's method
50016851	19	ChEMBL_2224414 (CHEMBL5137927)	Inhibition of recombinant bovine mitochondrial MAO-A using benzylamine or serotonin as substrate incubated for 60 mins by fluorimetry assay
50016851	20	ChEMBL_2224433 (CHEMBL5137946)	Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant
50016855	1	ChEMBL_2224437 (CHEMBL5137950)	Inhibition of IDO1 (unknown origin)
50016855	2	ChEMBL_2224438 (CHEMBL5137951)	Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells in presence of heme measured after 20 hrs by heme-competitive binding assay
50016855	3	ChEMBL_2224439 (CHEMBL5137952)	Inhibition of human recombinant His6-tagged IDO1 expressed in Escherichia coli strain BL21DE3pLys
50016855	4	ChEMBL_2224440 (CHEMBL5137953)	Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate incubated for 45 mins by SYNERGY-H1 microplate reader method
50016855	5	ChEMBL_2224442 (CHEMBL5137955)	Inhibition of human recombinant N-terminus 6-His tagged IDO1 expressed in Escherichia coli M15 incubated for 1 hr by spectrometric analysis
50016855	6	ChEMBL_2224445 (CHEMBL5137958)	Inhibition of IDO1 in human HeLa cells
50016855	7	ChEMBL_2224447 (CHEMBL5137960)	Inhibition of IDO1 (unknown origin) using L-tryptophan incubated for 30 mins by microplate reader method
50016855	8	ChEMBL_2224450 (CHEMBL5137963)	Binding affinity to IDO1 (unknown origin)
50016856	1	ChEMBL_2224451 (CHEMBL5137964)	Inhibition of HDAC1 (unknown origin) using fluorimetric substrate incubated for 30 mins by fluorogenic assay
50016856	2	ChEMBL_2224452 (CHEMBL5137965)	Inhibition of recombinant human HDAC1 using fluorogenic acetylated peptide substrate incubated for 30 mins by microplate reader analysis
50016856	3	ChEMBL_2224455 (CHEMBL5137968)	Inhibition of HDAC6 derived from human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate by fluorescence based assay
50016856	4	ChEMBL_2224456 (CHEMBL5137969)	Inhibition of HDAC1 derived from human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate by fluorescence based assay
50016856	5	ChEMBL_2224457 (CHEMBL5137970)	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by fluorescence based assay
50016856	6	ChEMBL_2224458 (CHEMBL5137971)	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by fluorescence based assay
50016856	7	ChEMBL_2224459 (CHEMBL5137972)	Inhibition of recombinant human HDAC1 using fluorescent deacetylated substrate incubated for 15 mins by fluorescence based assay
50016856	8	ChEMBL_2224460 (CHEMBL5137973)	Inhibition of recombinant human HDAC2 using fluorescent green substrate incubated for 30 mins by fluorescence based assay
50016856	9	ChEMBL_2224467 (CHEMBL5137980)	Inhibition of C-terminal 6xHis-tagged full-length recombinant human HDAC2 (1 to 488 residues) expressed in Sf9 insect cells by Luminescence Glo assay
50016856	10	ChEMBL_2224468 (CHEMBL5137981)	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 insect cells by Luminescence Glo assay
50016857	1	ChEMBL_2224477 (CHEMBL5137990)	Inhibition of human wild type N-terminal GST tagged VPS34 (1 to 887 end) expressed in baculovirus infected Sf21 insect cells using PI and Phosphatidylserine as substrate preincubated with compound for 20 mins followed by substrate addition measured after 90 mins in presence of ATP by ADP-Glo kinase based luminescence assay
50016857	2	ChEMBL_2224495 (CHEMBL5138008)	Inhibition of PI3Kalpha (unknown origin) preincubated with compound for 20 mins followed by substrate addition measured after 120 mins in presence of ATP by ADP-Glo kinase based luminescence assay
50016858	1	ChEMBL_2224496 (CHEMBL5138009)	Inhibition of EGFR derived from human A-431 cells using copolymer of Glu/Ala/Tyr as substrate by scintillation counting method
50016858	2	ChEMBL_2224501 (CHEMBL5138014)	Inhibition of EGFR in human A-431 cell membrane vesicles using phospholipase C-gamma-1 as substrate incubated for 10 mins by scintillation counter method
50016858	3	ChEMBL_2224502 (CHEMBL5138015)	Displacement of 32P-labeled ATP from EGFR derived from human A-431 cell membrane vesicles using copolymer of Glu/Ala/Tyr as substrate incubated for 10 mins by scintillation counting method
50016858	4	ChEMBL_2224503 (CHEMBL5138016)	Inhibition of EGFR derived from human A-431 cell membrane vesicles using copolymer of Glu/Ala/Tyr as substrate by scintillation counting method
50016858	5	ChEMBL_2224508 (CHEMBL5138021)	Inhibition of VEGFR2 (unknown origin)
50016858	6	ChEMBL_2224510 (CHEMBL5138023)	Inhibition of p60 c-src (unknown origin)
50016858	7	ChEMBL_2224511 (CHEMBL5138024)	Inhibition of src (unknown origin)
50016861	1	ChEMBL_2224594 (CHEMBL5138107)	Inhibition of N-terminal GST-fused full-length human DYRK1A (1 to 763 residues) expressed in baculovirus expression system using myelin basic protein peptide as substrate preincubated with substrate for 40 mins followed by compound addition measured after 1 hr in presence of ATP by TR-FRET assay
50016861	2	ChEMBL_2224595 (CHEMBL5138108)	Inhibition of GSK-3-beta (unknown origin)
50016861	3	ChEMBL_2224596 (CHEMBL5138109)	Inhibition of DYRK1A (unknown origin)
50016861	4	ChEMBL_2224597 (CHEMBL5138110)	Inhibition of 6xHis-tagged rat DYRK1A (1 to 502 residues) expressed in Escherichia coli BL21(DE3) using FKHR as substrate incubated for 30 mins in presence of ATP by UFLC based analysis
50016861	5	ChEMBL_2224598 (CHEMBL5138111)	Inhibition of N-terminal 6His-tagged recombinant human DYRK1A (674 to 763 residues) expressed in Escherichia coli BL21(DE3) using RARPGTPALRE as substrate incubated for 60 mins in presence of ATP/NADH by enzymatic assay
50016861	6	ChEMBL_2224599 (CHEMBL5138112)	Displacement of [gamma-33P]-ATP from GST-fused recombinant human DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate incubated for 30 mins by scintillation counting analysis
50016861	7	ChEMBL_2224600 (CHEMBL5138113)	Inhibition of DYRK1A (unknown origin) using KKISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50016861	8	ChEMBL_2224601 (CHEMBL5138114)	Inhibition of GST-fused recombinant human DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate in presence of ATP
50016861	9	ChEMBL_2224602 (CHEMBL5138115)	Inhibition of GST-fused recombinant human CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
50016862	1	ChEMBL_2224622 (CHEMBL5138135)	Inhibition of HDAC6 (unknown origin)
50016863	1	ChEMBL_2224627 (CHEMBL5138140)	Inhibition of recombinant human HDAC1 using RHKKAc peptide as substrate
50016863	2	ChEMBL_2224628 (CHEMBL5138141)	Inhibition of recombinant human HDAC2 using RHKKAc peptide as substrate
50016863	3	ChEMBL_2224629 (CHEMBL5138142)	Inhibition of recombinant human HDAC3/NcoR2 using RHKKAc peptide as substrate
50016863	4	ChEMBL_2224630 (CHEMBL5138143)	Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate
50016863	5	ChEMBL_2224631 (CHEMBL5138144)	Inhibition of recombinant human HDAC8 using RHKAcKAc peptide as substrate
50016863	6	ChEMBL_2224634 (CHEMBL5138147)	Inhibition of HDAC1 (unknown origin) using fluorescent peptide substrate
50016863	7	ChEMBL_2224635 (CHEMBL5138148)	Inhibition of HDAC2 (unknown origin) using fluorescent peptide substrate
50016863	8	ChEMBL_2224636 (CHEMBL5138149)	Inhibition of HDAC3 (unknown origin) using fluorescent peptide substrate
50016863	9	ChEMBL_2224637 (CHEMBL5138150)	Inhibition of HDAC4 (unknown origin) using fluorescent peptide substrate
50016863	10	ChEMBL_2224638 (CHEMBL5138151)	Inhibition of HDAC5 (unknown origin) using fluorescent peptide substrate
50016863	11	ChEMBL_2224639 (CHEMBL5138152)	Inhibition of HDAC6 (unknown origin) using fluorescent peptide substrate
50016863	12	ChEMBL_2224640 (CHEMBL5138153)	Inhibition of HDAC7 (unknown origin) using fluorescent peptide substrate
50016863	13	ChEMBL_2224641 (CHEMBL5138154)	Inhibition of HDAC8 (unknown origin) using fluorescent peptide substrate
50016863	14	ChEMBL_2224642 (CHEMBL5138155)	Inhibition of HDAC9 (unknown origin) using fluorescent peptide substrate
50016863	15	ChEMBL_2224643 (CHEMBL5138156)	Inhibition of HDAC11 (unknown origin) using fluorescent peptide substrate
50016863	16	ChEMBL_2224644 (CHEMBL5138157)	Inhibition of N-terminal GST-tagged HDAC1 (unknown origin) expressed in baculovirus expression system using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by enzymatic assay
50016863	17	ChEMBL_2224645 (CHEMBL5138158)	Inhibition of N-terminal GST-tagged HDAC3 (unknown origin) expressed in baculovirus expression system using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by enzymatic assay
50016863	18	ChEMBL_2224648 (CHEMBL5138161)	Inhibition of recombinant human HDAC1 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	19	ChEMBL_2224649 (CHEMBL5138162)	Inhibition of recombinant human HDAC2 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	20	ChEMBL_2224650 (CHEMBL5138163)	Inhibition of recombinant human HDAC4 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	21	ChEMBL_2224651 (CHEMBL5138164)	Inhibition of recombinant human HDAC6 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	22	ChEMBL_2224652 (CHEMBL5138165)	Inhibition of recombinant human HDAC8 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	23	ChEMBL_2224653 (CHEMBL5138166)	Inhibition of recombinant human HDAC10 using fluorescent substrate incubated for 30 mins by fluorescence based assay
50016863	24	ChEMBL_2224654 (CHEMBL5138167)	Inhibition of recombinant human HDAC4 using fluorogenic substrate
50016863	25	ChEMBL_2224655 (CHEMBL5138168)	Inhibition of HDAC6 (unknown origin) using acetyl-lysine tripeptide substrate as substrate preincubated for 24 hrs followed by substrate addition by enzymatic assay
50016863	26	ChEMBL_2224656 (CHEMBL5138169)	Inhibition of recombinant human HDAC5 using fluorogenic substrate
50016863	27	ChEMBL_2224657 (CHEMBL5138170)	Inhibition of recombinant human HDAC6 using fluorogenic substrate
50016863	28	ChEMBL_2224658 (CHEMBL5138171)	Inhibition of recombinant human HDAC7 using fluorogenic substrate
50016863	29	ChEMBL_2224659 (CHEMBL5138172)	Inhibition of recombinant human HDAC8 using fluorogenic substrate
50016863	30	ChEMBL_2224660 (CHEMBL5138173)	Inhibition of recombinant human HDAC9 using fluorogenic substrate
50016863	31	ChEMBL_2224661 (CHEMBL5138174)	Inhibition of recombinant human HDAC11 using fluorogenic substrate
50016863	32	ChEMBL_2224662 (CHEMBL5138175)	Inhibition of recombinant human HDAC1 using fluorogenic substrate
50016863	33	ChEMBL_2224663 (CHEMBL5138176)	Inhibition of recombinant human HDAC2 using fluorogenic substrate
50016863	34	ChEMBL_2224664 (CHEMBL5138177)	Inhibition of recombinant human HDAC3 using fluorogenic substrate
50016863	35	ChEMBL_2224665 (CHEMBL5138178)	Inhibition of recombinant human HDAC10 using fluorogenic substrate
50016863	36	ChEMBL_2224666 (CHEMBL5138179)	Inhibition of full-length recombinant human HDAC1 using RHKKAc peptide as substrate by fluorescence based assay
50016863	37	ChEMBL_2224667 (CHEMBL5138180)	Inhibition of full-length recombinant human HDAC2 using RHKKAc peptide as substrate by fluorescence based assay
50016863	38	ChEMBL_2224669 (CHEMBL5138182)	Inhibition of full-length recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC peptide as substrate by fluorescence based assay
50016863	39	ChEMBL_2224670 (CHEMBL5138183)	Inhibition of full-length recombinant human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC peptide as substrate by fluorescence based assay
50016863	40	ChEMBL_2224671 (CHEMBL5138184)	Inhibition of full-length recombinant human HDAC6 using RHKKAc peptide as substrate by fluorescence based assay
50016863	41	ChEMBL_2224672 (CHEMBL5138185)	Inhibition of full-length recombinant human HDAC7 using Boc-Lys(trifluoroacetyl)-AMC peptide as substrate by fluorescence based assay
50016863	42	ChEMBL_2224673 (CHEMBL5138186)	Inhibition of full-length recombinant human HDAC8 using RHKAcKAc peptide as substrate by fluorescence based assay
50016863	43	ChEMBL_2224674 (CHEMBL5138187)	Inhibition of full-length recombinant human HDAC9 using Boc-Lys(trifluoroacetyl)-AMC peptide as substrate by fluorescence based assay
50016863	44	ChEMBL_2224675 (CHEMBL5138188)	Inhibition of full-length recombinant human HDAC10 using Ac-Spermidine-AMC peptide as substrate by fluorescence based assay
50016863	45	ChEMBL_2224676 (CHEMBL5138189)	Inhibition of full-length recombinant human HDAC11 using Boc-Lys(trifluoroacetyl)-AMC peptide as substrate by fluorescence based assay
50016863	46	ChEMBL_2224678 (CHEMBL5138191)	Inhibition of HDAC1 (unknown origin)
50016863	47	ChEMBL_2224679 (CHEMBL5138192)	Inhibition of HDAC2 (unknown origin)
50016863	48	ChEMBL_2224680 (CHEMBL5138193)	Inhibition of HDAC6 (unknown origin)
50016863	49	ChEMBL_2224681 (CHEMBL5138194)	Inhibition of PDE9 (unknown origin)
50016863	50	ChEMBL_2224682 (CHEMBL5138195)	Inhibition of PDE5 (unknown origin)
50016863	51	ChEMBL_2224684 (CHEMBL5138197)	Inhibition of N-terminal GST-tagged HDAC2 (unknown origin) expressed in baculovirus expression system using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by enzymatic assay
50016863	52	ChEMBL_2224685 (CHEMBL5138198)	Inhibition of N-terminal GST-tagged HDAC6 (unknown origin) expressed in baculovirus expression system using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by enzymatic assay
50016864	1	ChEMBL_2224686 (CHEMBL5138199)	Inhibition of BRD4 (unknown origin)
50016864	2	ChEMBL_2224688 (CHEMBL5138201)	Inhibition of PARP1 (unknown origin)
50016864	3	ChEMBL_2224692 (CHEMBL5138205)	Inhibition of BRD1 (unknown origin)
50016864	4	ChEMBL_2224693 (CHEMBL5138206)	Inhibition of BRD2 (unknown origin)
50016864	5	ChEMBL_2224700 (CHEMBL5138213)	Inhibition of PARP1 (unknown origin) incubated for 60 mins by microplate assay kit method
50016864	6	ChEMBL_2224701 (CHEMBL5138214)	Inhibition of PARP2 (unknown origin) incubated for 60 mins by microplate assay kit method
50016864	7	ChEMBL_2224703 (CHEMBL5138216)	Inhibition of human recombinant PARP1 by chemiluminescent assay
50016864	8	ChEMBL_2224704 (CHEMBL5138217)	Inhibition of human recombinant TNKS1/TNKS2 (unknown origin) by chemiluminescent assay
50016864	9	ChEMBL_2224714 (CHEMBL5138227)	Inhibition of DHODH (unknown origin)
50016864	10	ChEMBL_2224715 (CHEMBL5138228)	Inhibition of ROCK1 (unknown origin)
50016864	11	ChEMBL_2224716 (CHEMBL5138229)	Inhibition of ROCK2 (unknown origin)
50016865	1	ChEMBL_2224717 (CHEMBL5138230)	Inhibition of PRMT1 (unknown origin)
50016865	2	ChEMBL_2224718 (CHEMBL5138231)	Inhibition of SET7 (unknown origin)
50016865	3	ChEMBL_2224719 (CHEMBL5138232)	Inhibition of EHMT1 (unknown origin)
50016865	4	ChEMBL_2224720 (CHEMBL5138233)	Inhibition of DOT1L (unknown origin)
50016865	5	ChEMBL_2224721 (CHEMBL5138234)	Inhibition of G9a (unknown origin)
50016865	6	ChEMBL_2224722 (CHEMBL5138235)	Inhibition of PRMT4 (unknown origin)
50016865	7	ChEMBL_2224724 (CHEMBL5138237)	Inhibition of DOT1L (unknown origin)-mediated H3K79 methylation
50016865	8	ChEMBL_2224725 (CHEMBL5138238)	Inhibition of recombinant DOT1L (unknown origin) using 3H-SAM/chicken erythrocyte nucleosomes as substrate preincubated for 30 mins followed by substrate addition measured after 2 hrs by microplate reader method
50016865	9	ChEMBL_2224726 (CHEMBL5138239)	Binding affinity to DOT1L (unknown origin) assessed as inhibition constant
50016865	10	ChEMBL_2224728 (CHEMBL5138241)	Inhibition of human recombinant DOT1L by methyltransferase-Glo Bioluminescent assay
50016865	11	ChEMBL_2224729 (CHEMBL5138242)	Inhibition of EZH2 (unknown origin)
50016865	12	ChEMBL_2224730 (CHEMBL5138243)	Inhibition of wild type EZH2 (unknown origin)
50016865	13	ChEMBL_2224731 (CHEMBL5138244)	Inhibition of EZH2 Y641N mutant (unknown origin)
50016865	14	ChEMBL_2224732 (CHEMBL5138245)	Binding affinity to EZH2 Y641N mutant (unknown origin) assessed as inhibition constant
50016865	15	ChEMBL_2224735 (CHEMBL5138248)	Binding affinity to EZH2 (unknown origin) assessed as inhibition constant
50016865	16	ChEMBL_2224736 (CHEMBL5138249)	Inhibition of PRMT5 (unknown origin)
50016865	17	ChEMBL_2224737 (CHEMBL5138250)	Inhibition of SETD2 (unknown origin)
50016865	18	ChEMBL_2224738 (CHEMBL5138251)	Inhibition of SMYD3 (unknown origin)
50016865	19	ChEMBL_2224739 (CHEMBL5138252)	Inhibition of PRMT7 (unknown origin)
50016865	20	ChEMBL_2224741 (CHEMBL5138254)	Inhibition of PRMT6 (unknown origin)
50016865	21	ChEMBL_2224742 (CHEMBL5138255)	Binding affinity to PRMT5 (unknown origin) assessed as inhibition constant
50016866	1	ChEMBL_2224765 (CHEMBL5138278)	Inhibition of LDHA (unknown origin)
50016866	2	ChEMBL_2224766 (CHEMBL5138279)	Inhibition of LDHB (unknown origin)
50016868	1	ChEMBL_2224812 (CHEMBL5138325)	Inhibition of human recombinant HDAC6 using RHKKAc as substrate
50016868	2	ChEMBL_2224813 (CHEMBL5138326)	Inhibition of human recombinant HDAC1 using RHKKAc as substrate
50016868	3	ChEMBL_2224814 (CHEMBL5138327)	Inhibition of human recombinant HDAC2 using RHKKAc as substrate
50016868	4	ChEMBL_2224816 (CHEMBL5138329)	Inhibition of human recombinant HDAC8 using RHKAcKAc as substrate
50016868	5	ChEMBL_2224817 (CHEMBL5138330)	Inhibition of human recombinant HDAC1 using fluorogenic substrate
50016868	6	ChEMBL_2224818 (CHEMBL5138331)	Inhibition of HDAC1 (unknown origin)
50016868	7	ChEMBL_2224819 (CHEMBL5138332)	Inhibition of HDAC2 (unknown origin)
50016868	8	ChEMBL_2224820 (CHEMBL5138333)	Inhibition of HDAC7 (unknown origin)
50016868	9	ChEMBL_2224821 (CHEMBL5138334)	Displacement of [3H]-acetylated histones HDAC6 derived from human K562 cell nuclear extract incubated for 10 mins by liquid scintillation counting method
50016868	10	ChEMBL_2224822 (CHEMBL5138335)	Displacement of [3H]-acetylated histones from HDAC1 derived from human K562 cell nuclear extract incubated for 10 mins by liquid scintillation counting method
50016868	11	ChEMBL_2224823 (CHEMBL5138336)	Displacement of [3H]-acetylated histones from HDAC3 derived from human K562 cell nuclear extract incubated for 10 mins by liquid scintillation counting method
50016868	12	ChEMBL_2224824 (CHEMBL5138337)	Inhibition of HDAC6 (unknown origin)
50016868	13	ChEMBL_2224825 (CHEMBL5138338)	Displacement of [3H]-acetylated histones from mouse HDAC6 transfected in HEK-293T cells incubated for 15 mins by scintillation counting method
50016868	14	ChEMBL_2224826 (CHEMBL5138339)	Displacement of [3H]-acetylated histones from human HDAC1 transfected in HEK-293T cells incubated for 15 mins by scintillation counting method
50016868	15	ChEMBL_2224827 (CHEMBL5138340)	Displacement of [3H]-acetylated histones from human HDAC2 transfected in HEK-293T cells incubated for 15 mins by scintillation counting method
50016868	16	ChEMBL_2224828 (CHEMBL5138341)	Inhibition of HDAC3 (unknown origin)
50016868	17	ChEMBL_2224829 (CHEMBL5138342)	Inhibition of HDAC8 (unknown origin)
50016869	1	ChEMBL_2224845 (CHEMBL5138358)	Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction in luciferase reporter activity by single-round assay
50016869	2	ChEMBL_2224846 (CHEMBL5138359)	Inhibition of HIV-1 reverse transcriptase K103N mutant assessed as reduction in luciferase reporter activity by single-round assay
50016869	3	ChEMBL_2224847 (CHEMBL5138360)	Inhibition of HIV-1 reverse transcriptase E138K mutant assessed as reduction in luciferase reporter activity by single-round assay
50016869	4	ChEMBL_2224848 (CHEMBL5138361)	Inhibition of HIV-1 reverse transcriptase Y181C mutant assessed as reduction in luciferase reporter activity by single-round assay
50016869	5	ChEMBL_2224849 (CHEMBL5138362)	Inhibition of HIV-1 reverse transcriptase Y188L mutant assessed as reduction in luciferase reporter activity by single-round assay
50016872	1	ChEMBL_2224861 (CHEMBL5138374)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin-stimulated PMA-differentiated human THP-1 macrophages assessed as reduction in pyroptosis pretreated with LPS followed by compound treatment for 30 mins then stimulation with nigericin and measured after 3 hrs by MTT assay
50016872	2	ChEMBL_2224864 (CHEMBL5138377)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP-1 cells assessed as reduction in IL-1beta release in supernatant pretreated for 30 mins followed by nigericin stimulation and measured after 30 mins by ELISA
50016872	3	ChEMBL_2224865 (CHEMBL5138378)	Inhibition of NLRP3 inflammasome activation in LPS-primed human THP-1 cells assessed as reduction in IL-18 release in supernatant pretreated for 30 mins followed by nigericin stimulation and measured after 30 mins by ELISA
50016872	4	ChEMBL_2224898 (CHEMBL5138411)	Binding affinity to recombinant human full length NLRP3 expressed in Sf9 insect cells assessed as dissociation constant incubated for 30 mins by MST assay
50016872	5	ChEMBL_2224909 (CHEMBL5138422)	Inhibition of NLRP3 inflammasome activation in LPS-primed C57BL/6 mouse BMDMs assessed as suppression of nigericin induced IL-1beta release preincubated for 30 mins followed by nigericin stimulation and measured after 30 mins by ELISA
50016872	6	ChEMBL_2224910 (CHEMBL5138423)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 assessed as suppression of nigericin induced IL-1beta release preincubated for 30 mins followed by nigericin stimulation and measured after 30 mins by ELISA
50016873	1	ChEMBL_2224917 (CHEMBL5138430)	Inhibition of Trypanosoma cruzi TIM
50016873	2	ChEMBL_2224918 (CHEMBL5138431)	Inhibition of recombinant Trypanosoma cruzi TIM using glyceraldehyde 3-phosphate as substrate
50016873	3	ChEMBL_2224919 (CHEMBL5138432)	Inhibition of Trypanosoma cruzi TIM expressed in Escherichia coli using glyceraldehyde 3-phosphate as substrate preincubated for 2 hrs in presence of NADH/alphaGDPH by spectrophotometry
50016873	4	ChEMBL_2224920 (CHEMBL5138433)	Inhibition of Trypanosoma cruzi TIM expressed in Escherichia coli using glyceraldehyde 3-phosphate as substrate in presence of NADH/alphaGDPH measured after 2 hrs by spectrophotometry
50016873	5	ChEMBL_2224921 (CHEMBL5138434)	Inhibition of recombinant Trypanosoma cruzi Tulahuen strain CYP51 expressed in Escherichia coli JM109
50016873	6	ChEMBL_2224922 (CHEMBL5138435)	Displacement of [3H]-Eubricol from C-terminal His-tagged full-length Trypanosoma cruzi Tulahuen strain CYP51 expressed in Escherichia coli HMS174(DE3) assessed as dissociation constant preincubated for 5 mins measured after 60 mins by enzymatic assay
50016873	7	ChEMBL_2224923 (CHEMBL5138436)	Inhibition of C-terminal His6-tagged Trypanosoma cruzi CYP51 expressed in Escherichia coli HMS174(DE3) assessed as dissociation constant by spectrophotometry
50016873	8	ChEMBL_2224925 (CHEMBL5138438)	Inhibition of Trypanosoma cruzi Cruzaine using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured for 10 mins by spectrophotometry
50016873	9	ChEMBL_2224926 (CHEMBL5138439)	Inhibition of Trypanosoma cruzi Cruzaine
50016875	1	ChEMBL_2225428 (CHEMBL5138941)	Inhibition of PRMT4 (unknown origin)
50016875	2	ChEMBL_2225430 (CHEMBL5138943)	Inhibition of recombinant human PRMT1 assessed as residual activity using biotinylated histone H4 (1 to 21) as substrate incubated for 60 mins in presence of SAM by AlphaLISA method
50016875	3	ChEMBL_2225431 (CHEMBL5138944)	Inhibition of human full length recombinant GST-tagged PRMT1 (2 to 371 residues) using histone H4 as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	4	ChEMBL_2225432 (CHEMBL5138945)	Inhibition of human full length recombinant GST his-tagged PRMT3 (2 to 531 residues) using histone H4 as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	5	ChEMBL_2225433 (CHEMBL5138946)	Inhibition of human full length recombinant GST-tagged PRMT4 (2 to 608 residues) using histone H3 as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	6	ChEMBL_2225434 (CHEMBL5138947)	Inhibition of human full length recombinant FLAG-tagged PRMT5 (2 to 637 residues) using histone H2A as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	7	ChEMBL_2225435 (CHEMBL5138948)	Inhibition of human full length recombinant GST-tagged PRMT6 (2 to 375 residues) using GST-GAR as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	8	ChEMBL_2225436 (CHEMBL5138949)	Inhibition of human full length recombinant his-tagged PRMT7 (2 to 692 residues) using GST-GAR as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	9	ChEMBL_2225437 (CHEMBL5138950)	Inhibition of human full length recombinant his-tagged PRMT8 (61 to 394 residues) using histone H4 as substrate incubated for 20 mins in presence of [3H]-SAM by radioisotope-based filter assay
50016875	10	ChEMBL_2225450 (CHEMBL5138963)	Binding affinity to full length recombinant PRMT4 (unknown origin) assessed as dissociation constant by surface plasmon resonance
50016879	1	ChEMBL_2225465 (CHEMBL5138978)	Displacement of Alexa Fluor labelled Tracer-314 from human N-terminal GST-tagged mTOR incubated for 1 hr by TR-FRET assay
50016879	2	ChEMBL_2225466 (CHEMBL5138979)	Inhibition of PI3Kalpha in rat Rat1 cells assessed as reduction in phosphorylation of AKT at Ser473 residue incubated for 1 hr by cellular assay
50016879	3	ChEMBL_2225467 (CHEMBL5138980)	Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction in phosphorylation of AKT at Ser473 residue incubated for 1 hr by cellular assay
50016879	4	ChEMBL_2225469 (CHEMBL5138982)	Binding affinity to human N-terminal GST-tagged mTOR assessed as phosphorylated 4EBP1 by TR-FRET assay
50016879	5	ChEMBL_2225491 (CHEMBL5139004)	Inhibition of PI3Kalpha (unknown origin) using L-alpha-phosphatidylinositol as substrate in presence of ATP by Kinase Glo luminescence assay
50016879	6	ChEMBL_2225492 (CHEMBL5139005)	Inhibition of PI3Kbeta (unknown origin) using L-alpha-phosphatidylinositol as substrate in presence of ATP by Kinase Glo luminescence assay
50016879	7	ChEMBL_2225493 (CHEMBL5139006)	Inhibition of PI3Kdelta (unknown origin) using phosphatidylinositol as substrate measured for 15 to 60 mins by TR-FRET based Adapta universal kinase assay
50016879	8	ChEMBL_2225494 (CHEMBL5139007)	Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol 4,5-bisphosphate as substrate measured for 15 to 60 mins by TR-FRET based Adapta universal kinase assay
50016879	9	ChEMBL_2225617 (CHEMBL5139130)	Inhibition of mTOR in Tscl-/- null mouse MEF assessed as reduction on RPS6 phosphorylation at Ser235/236 residue by alpha-screen assay
50016880	1	ChEMBL_2225664 (CHEMBL5139177)	Inhibition of human Cathepsin L
50016880	2	ChEMBL_2225665 (CHEMBL5139178)	Inhibition of Cathepsin S (unknown origin)
50016880	3	ChEMBL_2225666 (CHEMBL5139179)	Inhibition of Cathepsin K (unknown origin)
50016880	4	ChEMBL_2225667 (CHEMBL5139180)	Binding affinity to Coagulation factor Xa (unknown origin) assessed as inhibition constant
50016880	5	ChEMBL_2225668 (CHEMBL5139181)	Inhibition of XIAP BIR3 domain (unknown origin)
50016886	1	ChEMBL_2225798 (CHEMBL5139311)	Inhibition of CDK9/Cyclin T1 (unknown origin) preincubated for 10 mins followed by ATP and CTD3 addition and measured after 30 mins by mobility shift assay
50016886	2	ChEMBL_2225811 (CHEMBL5139324)	Inhibition of CDK1/cyclin B1 (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by HTRF analysis
50016886	3	ChEMBL_2225813 (CHEMBL5139326)	Inhibition of CDK4/cyclin D3 (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by HTRF analysis
50016886	4	ChEMBL_2225815 (CHEMBL5139328)	Inhibition of CDK7/cyclin H (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by HTRF analysis
50016886	5	ChEMBL_2225816 (CHEMBL5139329)	Inhibition of CDK8/cyclin C (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by HTRF analysis
50016886	6	ChEMBL_2225817 (CHEMBL5139330)	Inhibition of CDK12/cyclin K (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by HTRF analysis
50016889	1	ChEMBL_2225895 (CHEMBL5139408)	Inhibition of porcine brain tubulin polymerization by fluorescence based assay
50016897	1	ChEMBL_2226047 (CHEMBL5139560)	Inhibition of hERG transfected in T-REX-CHO cells incubated for 30 mins by BTC-AM dye based fluorescence assay
50016897	2	ChEMBL_2226049 (CHEMBL5139562)	Inhibition of PDE6 (unknown origin)
50016897	3	ChEMBL_2226074 (CHEMBL5139587)	Inhibition of N-terminal thioredoxin-tagged Mycobacterium smegmatis DprE1 expressed in Escherichia coli BL21(DE3) incubated for 7 days by microplate alamar blue assay
50016897	4	ChEMBL_2226078 (CHEMBL5139591)	Inhibition of CYP2C9 (unknown origin) using diclofenac as substrate incubated for 20 to 30 mins by LC-MS/MS analysis
50016897	5	ChEMBL_2226080 (CHEMBL5139593)	Inhibition of hERG
50016897	6	ChEMBL_2226087 (CHEMBL5139600)	Inhibition of hERG by Qpatch assay
50016897	7	ChEMBL_2226095 (CHEMBL5139608)	Inhibition of His-tagged Mycobacterium tuberculosis H37Rv InhA expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence based assay
50016897	8	ChEMBL_2226126 (CHEMBL5139639)	Inhibition of Mycobacterium tuberculosis H37Rv Pks13 expressed in Escherichia coli BL21 (DE3)pLysS cells measured for 80 to 120 mins by 4-MUH assay
50016897	9	ChEMBL_2226137 (CHEMBL5139650)	Inhibition of CYP3A4 (unknown origin)
50016897	10	ChEMBL_2226163 (CHEMBL5139676)	Inhibition of CYP1A2 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysis
50016897	11	ChEMBL_2226164 (CHEMBL5139677)	Inhibition of CYP2C9 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysis
50016897	12	ChEMBL_2226165 (CHEMBL5139678)	Inhibition of CYP2C19 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysis
50016897	13	ChEMBL_2226186 (CHEMBL5139699)	Inhibition of hERG expressed in human HEK293 cells by manual patch clamp method
50016897	14	ChEMBL_2226222 (CHEMBL5139735)	Inhibition of CYP3A4 in human liver microsome using midazolam as substrate incubated for 10 mins in presence of NADP+ by LC-MS/MS analysis
50016897	15	ChEMBL_2226228 (CHEMBL5139741)	Inhibition of hERG expressed in human HEK293 cells by whole-cell patch-clamp method
50016898	1	ChEMBL_2226250 (CHEMBL5139763)	Inhibition of N-terminal human TRKA (436 to 790 residues) expressed in baculovirus expression system using TK as substrate measured after 30 mins in presence of ATP by HTRF assay
50016898	2	ChEMBL_2226251 (CHEMBL5139764)	Inhibition of N-terminal human TRKB (456 to 822 residues) expressed in baculovirus expression system using TK as substrate measured after 40 mins in presence of ATP by HTRF assay
50016898	3	ChEMBL_2226252 (CHEMBL5139765)	Inhibition of N-terminal human TRKC (456 to 825 residues) expressed in baculovirus expression system using TK as substrate measured after 40 mins in presence of ATP by HTRF assay
50016898	4	ChEMBL_2226333 (CHEMBL5139846)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50016898	5	ChEMBL_2226334 (CHEMBL5139847)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50016898	6	ChEMBL_2226335 (CHEMBL5139848)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50016898	7	ChEMBL_2226336 (CHEMBL5139849)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50016898	8	ChEMBL_2226337 (CHEMBL5139850)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50016898	9	ChEMBL_2226361 (CHEMBL5139874)	Inhibition of TRKA G595R mutant (unknown origin)
50016899	1	ChEMBL_2226362 (CHEMBL5139875)	Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence based multimode plate reader method
50016899	2	ChEMBL_2226363 (CHEMBL5139876)	Inhibition of N-terminal 3xFlag-His6-tagged SARS-CoV-2 papain-like protease nsp3 (1564 to 1878 residues) expressed in baculovirus infected Sf9 insect cells using Pro3 as substrate by fluorescence based assay
50016899	3	ChEMBL_2226367 (CHEMBL5139880)	Inhibition of full-length wild-type SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli BL21 (DE3) using HCC-RLRGG-NH(CH2)4NH-DABCYL probe as substrate by enzymatic assay
50016899	4	ChEMBL_2226368 (CHEMBL5139881)	Inhibition of C-terminal His-tagged SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 papain-like protease (1564 to 1876 residues) expressed in Escherichia coli BL21 (DE3) using Dabcyl-FTLRGG/APTKV as substrate preincubated for 1 hr followed by substrate addition measured after 3 hrs by FRET assay
50016899	5	ChEMBL_2226371 (CHEMBL5139884)	Binding affinity to CM5 chip immobilized full-length wild-type SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 90 secs by SPR analysis
50016899	6	ChEMBL_2226374 (CHEMBL5139887)	Inhibition of SARS-CoV-2 papain-like protease nsp3 expressed in Escherichia coli BL21 (DE3) using LKGG-AMC probe as substrate by fluorescence based biochemical assay
50016899	7	ChEMBL_2226375 (CHEMBL5139888)	Inhibition of SARS-CoV-2 papain-like protease (1563 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Ub-Rhodamine110Gly as substrate preincubated for 10 mins followed by substrate addition for 12 mins by enzymatic method
50016899	8	ChEMBL_2226377 (CHEMBL5139890)	Inhibition of N-terminal His/TEV-tagged SARS-CoV-2 papain-like protease nsp3 (746 to 1060 residues) expressed in Escherichia coli BL21 (DE3) using (Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate measured for 3 mins by multilabel plate reader method
50016899	9	ChEMBL_2226378 (CHEMBL5139891)	Inhibition of SARS-CoV-2 papain-like protease using ISG15-Rh as substrate
50016899	10	ChEMBL_2226379 (CHEMBL5139892)	Inhibition of SARS-CoV-2 papain-like protease using RLRGG-AMC as substrate
50016899	11	ChEMBL_2226380 (CHEMBL5139893)	Inhibition of SARS-CoV-2 papain-like protease using ISG15-AMC as substrate
50016899	12	ChEMBL_2226387 (CHEMBL5139900)	Inhibition of TAP-tagged SARS-CoV-2 papain-like protease nsp123
50016899	13	ChEMBL_2226388 (CHEMBL5139901)	Inhibition of TAP-tagged SARS-CoV-2 papain-like protease nsp23
50016899	14	ChEMBL_2226389 (CHEMBL5139902)	Inhibition of SARS-CoV-2 papain-like protease-mediated de-ISGylation
50016899	15	ChEMBL_2226390 (CHEMBL5139903)	Inhibition of SARS-CoV-2 papain-like protease
50016899	16	ChEMBL_2226393 (CHEMBL5139906)	Inhibition of full-length SARS-CoV-2 papain-like protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by multimode plate reader analysis
50016899	17	ChEMBL_2226396 (CHEMBL5139909)	Inhibition of 6xHis-tagged SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21 (DE3) using ISG15-FITC as substrate incubated for 30 mins by fluorescence polarization assay
50016899	18	ChEMBL_2226397 (CHEMBL5139910)	Binding affinity to biotin-tagged SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 3 mins by BLI assay
50016899	19	ChEMBL_2226398 (CHEMBL5139911)	Inhibition of recombinant SARS-CoV-2 papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by enzymatic assay
50016899	20	ChEMBL_2226399 (CHEMBL5139912)	Inhibition of recombinant SARS-CoV-2 main protease using ATLQAIAS as substrate preincubated for 15 mins by enzymatic assay
50016899	21	ChEMBL_2226400 (CHEMBL5139913)	Inhibition of SARS-CoV-2 papain-like protease using fluorescent substrate preincubated for 1 hr by fluorescence based assay
50016899	22	ChEMBL_2226401 (CHEMBL5139914)	Inhibition of SARS-CoV-2 papain-like protease assessed as viral protease-mediated deubiquitination using ubiquitinated substrate incubated for 16 to 18 hrs by fluorescence based assay
50016899	23	ChEMBL_2226404 (CHEMBL5139917)	Inhibition of SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21 (DE3) using Z-LRGG-AMC/Z-RLRGG-AMC as substrate preincubated for 30 mins by enzymatic assay
50016899	24	ChEMBL_2226407 (CHEMBL5139920)	Inhibition of SARS-CoV-2 papain-like protease preincubated for 60 mins
50016899	25	ChEMBL_2226408 (CHEMBL5139921)	Inhibition of SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21 (DE3) using Ac-LRGG-ACC as substrate preincubated for 10 mins by spectrofluorometry
50016899	26	ChEMBL_2226409 (CHEMBL5139922)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using QS1 as substrate incubated for 2 mins by spectrofluorometry
50016899	27	ChEMBL_2226410 (CHEMBL5139923)	Inhibition of SARS-CoV-2 papain-like protease expressed in Escherichia coli BL21(DE3) using Dabcy-FTLKGGAPTKVTE-Edans-NH2 as substrate by multilabel plate reader analysis
50016900	1	ChEMBL_2226486 (CHEMBL5139999)	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVLQSGFRK(DNP)M as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by microplate reader based FRET assay
50016903	1	ChEMBL_2226551 (CHEMBL5140064)	Inhibition of human DNA topoisomerase 1 assessed as reduction in pBR322 DNA relaxation incubated for 1 hrs measured by agarose gel electrophoresis method
50016904	1	ChEMBL_2226553 (CHEMBL5140066)	Inhibition of NLRP3 inflammasome in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 30 mins followed by ATP addition and measured after 30 mins by ELISA
50016904	2	ChEMBL_2226558 (CHEMBL5140071)	Inhibition of NLRC4 inflammasome in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 1 hr followed by flagellin addition and measured after 6 hrs by ELISA
50016904	3	ChEMBL_2226559 (CHEMBL5140072)	Inhibition of AIM2 inflammasome in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 1 hr followed by poly(dA:dT) addition and measured after 4 hrs by ELISA
50016904	4	ChEMBL_2226562 (CHEMBL5140075)	Inhibition of NLRP3 inflammasome in LPS-primed mouse BMDM cells assessed as reduction in IL-1beta secretion preincubated for 30 mins followed by ATP addition and measured after 30 mins by ELISA
50016904	5	ChEMBL_2226563 (CHEMBL5140076)	Binding affinity to human recombinant full length NLRP3 transfected in HEK293F cells assessed as dissociation constant incubated for 40 mins by microscale thermophoresis analysis
50016905	1	ChEMBL_2226592 (CHEMBL5140105)	Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction of biotin-dUTP incorporation into protein using ABTS as substrate incubated for 1 hrs by ELISA analysis
50016907	1	ChEMBL_2226600 (CHEMBL5140113)	Inhibition of human N-terminal SUMO-tagged DHODH expressed in Escherichia coli BL21(DE3) using dihydroorotate substrate by DCIP based microplate reader analysis
50016909	1	ChEMBL_2226630 (CHEMBL5140143)	Inhibition of human HDAC1 using RHKKAc fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016909	2	ChEMBL_2226641 (CHEMBL5140154)	Inhibition of human HDAC2 using RHKKAc fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016909	3	ChEMBL_2226642 (CHEMBL5140155)	Inhibition of human HDAC3/NcoR2 using RHKKAc fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016909	4	ChEMBL_2226643 (CHEMBL5140156)	Inhibition of human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016909	5	ChEMBL_2226644 (CHEMBL5140157)	Inhibition of human HDAC8 using RHKAcKAc as fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016909	6	ChEMBL_2226645 (CHEMBL5140158)	Inhibition of human HDAC11 using Boc-Lys(trifluoroacetyl)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016910	1	ChEMBL_2226673 (CHEMBL5140186)	Inhibition of C-terminal poly-His-tagged human recombinant KLK5 (30 to 293 residues) transfected in CHO cells assessed as inhibition constant using Boc-VPR-AMC as fluorogenic substrate incubated for 30 mins by fluorescence plate reader assay
50016910	2	ChEMBL_2226674 (CHEMBL5140187)	Inhibition of C-terminal poly-His-tagged human recombinant KLK7 (30 to 253 residues) transfected in CHO cells assessed as inhibition constant using KHLY-pNA as fluorogenic substrate incubated for 30 mins by fluorescence plate reader assay
50016910	3	ChEMBL_2226676 (CHEMBL5140189)	Binding affinity to human serum albumin by fluorescence polarization assay
50016910	4	ChEMBL_2226677 (CHEMBL5140190)	Binding affinity to mouse serum albumin by fluorescence polarization assay
50016910	5	ChEMBL_2226678 (CHEMBL5140191)	Inhibition of mouse KLK5 assessed as inhibition constant using Boc-VPR-AMC as fluorogenic substrate incubated for 30 mins by fluorescence plate reader assay
50016910	6	ChEMBL_2226679 (CHEMBL5140192)	Inhibition of mouse KLK7 assessed as inhibition constant
50016911	1	ChEMBL_2226706 (CHEMBL5140219)	Inhibition of PDE4B (unknown origin) using [3H]cAMP as substrate incubated for 1 hr by PDElight HTS cAMP phosphodiesterase assay
50016914	1	ChEMBL_2226717 (CHEMBL5140230)	Antagonist activity against human P2X2R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	2	ChEMBL_2226719 (CHEMBL5140232)	Antagonist activity against human P2X4R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	3	ChEMBL_2226721 (CHEMBL5140234)	Antagonist activity against human P2X5R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	4	ChEMBL_2226723 (CHEMBL5140236)	Antagonist activity against human P2X7R stably transfected in human 1321N1 cells incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	5	ChEMBL_2226725 (CHEMBL5140238)	Antagonist activity against human P2X2R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.1 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	6	ChEMBL_2226726 (CHEMBL5140239)	Antagonist activity against human P2X2R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.2 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	7	ChEMBL_2226727 (CHEMBL5140240)	Antagonist activity against human P2X2R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.4 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	8	ChEMBL_2226728 (CHEMBL5140241)	Antagonist activity against human P2X4R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.05 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	9	ChEMBL_2226729 (CHEMBL5140242)	Antagonist activity against human P2X4R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.1 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	10	ChEMBL_2226730 (CHEMBL5140243)	Antagonist activity against human P2X4R stably transfected in human 1321N1 cells assessed as ATP EC50 at 0.2 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	11	ChEMBL_2226731 (CHEMBL5140244)	Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as BzATP EC50 at 0.05 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	12	ChEMBL_2226732 (CHEMBL5140245)	Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as BzATP EC50 at 0.1 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	13	ChEMBL_2226733 (CHEMBL5140246)	Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as BzATP EC50 at 0.2 uM incubated for 30 mins by Fura-2 AM staining based calcium influx assay
50016914	14	ChEMBL_2226743 (CHEMBL5140256)	Antagonist activity against human P2X7R stably transfected in human 1321N1 cells assessed as reduction in BzATP-induced activity incubated for 5 to 10 mins by EtBr staining based fluorescence assay
50016915	1	ChEMBL_2226744 (CHEMBL5140257)	Inhibition of recombinant GST-tagged ALK L1196M mutant (1064 to 1427 residues) (unknown origin) expressed in Sf9 cells using TMB peptide as substrate preincubated for 10 mins followed by ATP addition and measured after 15 mins by ELISA analysis
50016915	2	ChEMBL_2226745 (CHEMBL5140258)	Inhibition of recombinant GST-tagged wild type ALK (1064 to 1427 residues) (unknown origin) expressed in Sf9 cells using TMB peptide as substrate preincubated for 10 mins followed by ATP addition and measured after 15 mins by ELISA analysis
50016916	1	ChEMBL_2226787 (CHEMBL5140300)	Inhibition of PHD2 (181 to 426 residue) (unknown origin) measured by fluorescence polarization assay
50016924	1	ChEMBL_2226812 (CHEMBL5140325)	Inhibition of human GCase assessed as reduction of 4-methylumbelliferone liberation using 4-methylumbelliferyl-beta-glucopyranoside as substrate preincubated with enzyme for 10 mins followed by substrate addition by fluorescence spectrophotometry
50016924	2	ChEMBL_2226813 (CHEMBL5140326)	Inhibition of human GCase assessed as reduction of 4-methylumbelliferone liberation using 4-methylumbelliferyl-beta-glucopyranoside as substrate preincubated with enzyme for 45 mins followed by substrate addition and measured after 30 mins by fluorescence spectrophotometry
50016924	3	ChEMBL_2226814 (CHEMBL5140327)	Inhibition of human GCase assessed as reduction of 4-methylumbelliferone liberation using 4-methylumbelliferyl-beta-glucopyranoside as substrate incubated for 30 mins by fluorescence spectrophotometry
50016924	4	ChEMBL_2226815 (CHEMBL5140328)	Inhibition of human GCase
50016924	5	ChEMBL_2226820 (CHEMBL5140333)	Inhibition of rat small intestinal maltase assessed as reduction of D-glucose release using maltose as substrate by colorimetric analysis
50016924	6	ChEMBL_2226822 (CHEMBL5140335)	Inhibition of rat small intestinal sucrase assessed as reduction of p-nitrophenol release using p-nitrophenyl-glycoside as substrate by spectrophotometric analysis
50016924	7	ChEMBL_2226824 (CHEMBL5140337)	Inhibition of human lysosomal alpha-glucosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl-glycoside as substrate by spectrophotometric analysis
50016924	8	ChEMBL_2226835 (CHEMBL5140348)	Inhibition of jack bean alpha-mannosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl-glycoside as substrate by spectrophotometric analysis
50016932	1	ChEMBL_2226856 (CHEMBL5140369)	Inhibition of recombinant wild-type p66/p51 HIV-1 reverse transcriptase incubated for 40 mins by picogreen dye-based spectrofluorometric analysis
50016932	2	ChEMBL_2226857 (CHEMBL5140370)	Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	3	ChEMBL_2226858 (CHEMBL5140371)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	4	ChEMBL_2226859 (CHEMBL5140372)	Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	5	ChEMBL_2226860 (CHEMBL5140373)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	6	ChEMBL_2226861 (CHEMBL5140374)	Inhibition of CYP3A4T in human liver microsomes using testosterone as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	7	ChEMBL_2226862 (CHEMBL5140375)	Inhibition of CYP3A4M in human liver microsomes using midazolam as substrate incubated for 15 to 40 mins in presence of NADPH
50016932	8	ChEMBL_2226863 (CHEMBL5140376)	Inhibition of CYP1A2 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	9	ChEMBL_2226864 (CHEMBL5140377)	Inhibition of CYP2C9 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	10	ChEMBL_2226865 (CHEMBL5140378)	Inhibition of CYP2C19 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	11	ChEMBL_2226866 (CHEMBL5140379)	Inhibition of CYP2D6 in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	12	ChEMBL_2226867 (CHEMBL5140380)	Inhibition of CYP3A4T in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	13	ChEMBL_2226868 (CHEMBL5140381)	Inhibition of CYP3A4M in human liver microsomes incubated for 15 to 40 mins in presence of NADPH
50016932	14	ChEMBL_2226898 (CHEMBL5140411)	Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method
50016936	1	ChEMBL_2226905 (CHEMBL5140418)	Binding affinity to SARS-CoV-2 main protease assessed as dissociation constant by SPR analysis
50016936	2	ChEMBL_2226907 (CHEMBL5140420)	Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins
50016936	3	ChEMBL_2226909 (CHEMBL5140422)	Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 5 mins followed by substrate addition
50016936	4	ChEMBL_2226910 (CHEMBL5140423)	Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 30 mins followed by substrate addition
50016936	5	ChEMBL_2226911 (CHEMBL5140424)	Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate preincubated for 180 mins followed by substrate addition
50016936	6	ChEMBL_2226915 (CHEMBL5140428)	Inhibition of human Cathepsin L using Ac-FR-AFC as fluorescent substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescent microplate reader analysis
50016936	7	ChEMBL_2226919 (CHEMBL5140432)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFRK(Dnp)K as substrate by fluorescence assay
50016936	8	ChEMBL_2226921 (CHEMBL5140434)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21-Gold (DE3) cells using DABCYL-KTSAVLQSGFRKM-E(EDANS)-NH2 as substrate by FRET analysis
50016936	9	ChEMBL_2226923 (CHEMBL5140436)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50016936	10	ChEMBL_2226925 (CHEMBL5140438)	Inhibition of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by FRET analysis
50016936	11	ChEMBL_2226927 (CHEMBL5140440)	Inhibition of SARS CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by microplate reader analysis
50016936	12	ChEMBL_2226929 (CHEMBL5140442)	Inhibition of SARS CoV-2 main protease
50016936	13	ChEMBL_2226931 (CHEMBL5140444)	Inhibition of GST-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (De3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured for 3.5 mins by FRET analysis
50016936	14	ChEMBL_2226933 (CHEMBL5140446)	Inhibition of SARS-CoV-2 main protease transfected in HEK293T cells using 5-FAM-TSATLQSGFRK (QXL520)-NH2 as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by renilla luciferase reporter gene based analysis
50016937	1	ChEMBL_2226935 (CHEMBL5140448)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 10 mins by Ellman's method
50016937	2	ChEMBL_2226936 (CHEMBL5140449)	Inhibition of PDE4D7 (unknown origin)
50016937	3	ChEMBL_2226940 (CHEMBL5140453)	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 10 mins by Ellman's method
50016937	4	ChEMBL_2226941 (CHEMBL5140454)	Inhibition of PDE1A (unknown origin)
50016937	5	ChEMBL_2226942 (CHEMBL5140455)	Inhibition of PDE2A (unknown origin)
50016937	6	ChEMBL_2226943 (CHEMBL5140456)	Inhibition of PDE3B (unknown origin)
50016937	7	ChEMBL_2226944 (CHEMBL5140457)	Inhibition of PDE5A (unknown origin)
50016937	8	ChEMBL_2226946 (CHEMBL5140459)	Inhibition of PDE7A (unknown origin)
50016937	9	ChEMBL_2226947 (CHEMBL5140460)	Inhibition of PDE8A1 (unknown origin)
50016937	10	ChEMBL_2226948 (CHEMBL5140461)	Inhibition of PDE9A2 (unknown origin)
50016938	1	ChEMBL_2227009 (CHEMBL5140522)	Inhibition of PDCD4 in human HeLa cells tranfected with pCI-neo-luciferase-PDCD4 3'-UTR plasmid assessed as increase in luciferase activity by luciferase reporter assay
50016938	2	ChEMBL_2227085 (CHEMBL5140598)	Binding affinity to human recombinant TRBP by SPR assay
50016940	1	ChEMBL_2227118 (CHEMBL5140631)	Inhibition of full-length HPK1 (unknown origin) assessed as inhibition constant in presence of ATP by HTRF assay
50016940	2	ChEMBL_2227119 (CHEMBL5140632)	Inhibition of HPK1 (unknown origin) by ELISA
50016940	3	ChEMBL_2227120 (CHEMBL5140633)	Inhibition of FLT3 (unknown origin) by FRET assay
50016940	4	ChEMBL_2227121 (CHEMBL5140634)	Inhibition of LCK (unknown origin)
50016940	5	ChEMBL_2227123 (CHEMBL5140636)	Inhibition of HPK1 (unknown origin) in presence of ATP
50016940	6	ChEMBL_2227124 (CHEMBL5140637)	Inhibition of N-terminal DYKDDDDK-tagged human HPK1 (1 to 346 residues) expressed in baculovirus expression system using SLP76 as substrate incubated for 1 hr in presence of ATP by TR-FRET assay
50016940	7	ChEMBL_2227125 (CHEMBL5140638)	Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA
50016940	8	ChEMBL_2227126 (CHEMBL5140639)	Inhibition of HPK1 (unknown origin) by ADP-Glo kinase assay
50016940	9	ChEMBL_2227127 (CHEMBL5140640)	Inhibition of HPK1 (unknown origin) in presence of ATP by TR-FRET assay
50016940	11	ChEMBL_2227129 (CHEMBL5140642)	Binding affinity to HPK1 (unknown origin) assessed as dissociation constant by SPR analysis
50016940	12	ChEMBL_2227130 (CHEMBL5140643)	Inhibition of HPK1 (1 to 346 residues) (unknown origin) assessed as inhibition constant by Lanthascreen binding assay
50016940	13	ChEMBL_2227131 (CHEMBL5140644)	Inhibition of IL-2 (unknown origin)
50016940	14	ChEMBL_2227132 (CHEMBL5140645)	Inhibition of HPK1 (unknown origin) assessed as inhibition constant by Lanthascreen binding assay
50016940	15	ChEMBL_2227133 (CHEMBL5140646)	Inhibition of HPK1 (unknown origin) by TR-FRET assay
50016940	16	ChEMBL_2227134 (CHEMBL5140647)	Inhibition of HPK1 (unknown origin) in presence of ATP by ADP-Glo kinase assay
50016940	17	ChEMBL_2227136 (CHEMBL5140649)	Inhibition of HPK1 (unknown origin) by FRET assay
50016940	18	ChEMBL_2227137 (CHEMBL5140650)	Inhibition of HPK1 (unknown origin) assessed as inhibition constant in presence of ATP
50016940	19	ChEMBL_2227138 (CHEMBL5140651)	Inhibition of HPK1 (unknown origin) assessed as inhibition of SLP76 phosphorylation by HTRF assay
50016940	20	ChEMBL_2227139 (CHEMBL5140652)	Inhibition of GST-tagged recombinant full-length human HPK1 expressed in baculovirus expression system using kinase substrate preincubated for 10 mins measured after 2 hrs in presence of ATP by caliper mobility shift assay
50016940	21	ChEMBL_2227140 (CHEMBL5140653)	Inhibition of full-length unphosphorylated HPK1 (unknown origin) by scintillation proximity assay
50016940	22	ChEMBL_2227141 (CHEMBL5140654)	Inhibition of ITK (unknown origin)
50016940	23	ChEMBL_2227142 (CHEMBL5140655)	Inhibition of ZAP70 (unknown origin)
50016940	24	ChEMBL_2227143 (CHEMBL5140656)	Inhibition of full-length phosphorylated HPK1 (unknown origin)
50016940	25	ChEMBL_2227144 (CHEMBL5140657)	Inhibition of HPK1 (unknown origin) preincubated for 15 mins measured after 90 mins by ADP-Glo kinase assay
50016940	26	ChEMBL_2227145 (CHEMBL5140658)	Inhibition of HPK1 in human Jurkat E6.1 cells assessed as inhibition of SLP76 phosphorylation treated for 4 hrs by HTRF assay
50016941	1	ChEMBL_2227151 (CHEMBL5140664)	Inhibition of wild type EGFR (unknown origin) by mobility shift assay
50016941	2	ChEMBL_2227152 (CHEMBL5140665)	Inhibition of EGFR L858R/T790M mutant (unknown origin) by mobility shift assay
50016941	3	ChEMBL_2227153 (CHEMBL5140666)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by mobility shift assay
50016941	4	ChEMBL_2227155 (CHEMBL5140668)	Inhibition of c-Met (unknown origin) by mobility shift assay
50016942	1	ChEMBL_2227186 (CHEMBL5140699)	Binding affinity to SARS CoV-2 main protease by FRET assay
50016943	1	ChEMBL_2227272 (CHEMBL5140785)	Binding affinity to amyloid beta (1 to 40) (unknown origin) fibrils
50016943	2	ChEMBL_2227274 (CHEMBL5140787)	Binding affinity to amyloid beta (1 to 42) (unknown origin) fibrils
50016943	3	ChEMBL_2227275 (CHEMBL5140788)	Binding affinity to amyloid beta (1 to 40) (unknown origin) aggregates
50016943	4	ChEMBL_2227276 (CHEMBL5140789)	Binding affinity to amyloid beta (1 to 40) (unknown origin) monomer
50016943	5	ChEMBL_2227277 (CHEMBL5140790)	Binding affinity to amyloid beta (1 to 42) (unknown origin) monomer
50016943	6	ChEMBL_2227278 (CHEMBL5140791)	Binding affinity to human amyloid beta (1 to 42) monomer measured by fluorescence assay
50016943	7	ChEMBL_2227279 (CHEMBL5140792)	Binding affinity to human amyloid beta (1 to 42) oligomer measured by fluorescence assay
50016943	8	ChEMBL_2227280 (CHEMBL5140793)	Binding affinity to human amyloid beta (1 to 42) aggregates measured by fluorescence assay
50016943	9	ChEMBL_2227281 (CHEMBL5140794)	Binding affinity to human amyloid beta (1 to 40) monomer measured by fluorescence assay
50016943	10	ChEMBL_2227282 (CHEMBL5140795)	Binding affinity to human amyloid beta (1 to 40) aggregates measured by fluorescence assay
50016943	11	ChEMBL_2227283 (CHEMBL5140796)	Binding affinity to human amyloid beta (1 to 42) monomer measured by fluorescence polarization assay
50016943	12	ChEMBL_2227284 (CHEMBL5140797)	Binding affinity to human amyloid beta (1 to 42) oligomer measured by fluorescence polarization assay
50016943	13	ChEMBL_2227285 (CHEMBL5140798)	Binding affinity to human amyloid beta (1 to 42) aggregates measured by fluorescence polarization assay
50016943	14	ChEMBL_2227286 (CHEMBL5140799)	Binding affinity to bovine serum albumin
50016943	15	ChEMBL_2227290 (CHEMBL5140803)	Binding affinity to amyloid beta (1 to 42) (unknown origin) aggregates
50016943	16	ChEMBL_2227294 (CHEMBL5140807)	Displacement of [125I]IMPY from amyloid beta (1 to 42) (unknown origin) measured by competitive radioligand binding assay
50016943	17	ChEMBL_2227295 (CHEMBL5140808)	Displacement of [125I]IMPY from amyloid beta (1 to 40) (unknown origin) measured by competitive radioligand binding assay
50016943	18	ChEMBL_2227302 (CHEMBL5140815)	Binding affinity to amyloid beta (1 to 40) (unknown origin) oligomer
50016943	19	ChEMBL_2227303 (CHEMBL5140816)	Binding affinity to amyloid beta (1 to 42) (unknown origin) oligomer
50016944	1	ChEMBL_2227308 (CHEMBL5140821)	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 10 mins followed by substrate addition and measured after 15 mins by microplate reader analysis
50016948	1	ChEMBL_2227325 (CHEMBL5140838)	Inhibition of Staphylococcus aureus USA300 Sortase A protease expressed in Escherichia coli BL21 expression system using Abz-LPATG-Dap(Dnp)-NH2 as substrate incubated for 30 mins by FRET assay
50016948	2	ChEMBL_2227328 (CHEMBL5140841)	Inhibition of Streptococcus mutans ATCC 2517 Sortase A protease expressed in Escherichia coli BL21 expression system using Abz-LPATG-Dap(Dnp)-NH2 as substrate incubated for 1 hrs by FRET assay
50016948	3	ChEMBL_2227330 (CHEMBL5140843)	Inhibition of Staphylococcus aureus ATCC 25904 Sortase A protease expressed in Escherichia coli BL21 expression system using Dabcyl-QALPETGEE-Edans as substrate incubated for 30 mins by FRET assay
50016948	4	ChEMBL_2227332 (CHEMBL5140845)	Inhibition of Staphylococcus aureus ATCC 6538p Sortase A protease expressed in Escherichia coli BL21 expression system using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by FRET assay
50016948	5	ChEMBL_2227333 (CHEMBL5140846)	Binding affinity to Pseudomonas aeruginosa PA14 LecA expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50016948	6	ChEMBL_2227337 (CHEMBL5140850)	Inhibition of Photorhabdus luminescens LecA expressed in Escherichia coli BL21(DE3) cells by fluorescence based analysis
50016948	7	ChEMBL_2227357 (CHEMBL5140870)	Binding affinity to Pseudomonas aeruginosa PAO1 LecA expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50016948	8	ChEMBL_2227358 (CHEMBL5140871)	Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constant
50016948	9	ChEMBL_2227359 (CHEMBL5140872)	Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constant by isothermal titration calorimetry
50016948	10	ChEMBL_2227360 (CHEMBL5140873)	Inhibition of Pseudomonas aeruginosa LecA incubated for 4 to 6 hrs by fluorescence polarization based competitive binding analysis
50016948	11	ChEMBL_2227361 (CHEMBL5140874)	Inhibition of FITC-labelled Pseudomonas aeruginosa LecA
50016948	12	ChEMBL_2227362 (CHEMBL5140875)	Inhibition of FITC-labelled Pseudomonas aeruginosa LecA incubated for 1 hr by fluorescence based analysis
50016948	13	ChEMBL_2227363 (CHEMBL5140876)	Binding affinity to recombinant Pseudomonas aeruginosa LecA expressed in Escherichia coli BL21 (DE3) expression system assessed as dissociation constant by isothermal titration calorimetry
50016948	14	ChEMBL_2227364 (CHEMBL5140877)	Inhibition of recombinant Pseudomonas aeruginosa LecB expressed in Escherichia coli BL21 (DE3) expression system by fluorescence polarization assay
50016948	15	ChEMBL_2227365 (CHEMBL5140878)	Binding affinity to recombinant Pseudomonas aeruginosa LecB expressed in Escherichia coli BL21 (DE3) expression system assessed as dissociation constant by isothermal titration calorimetry
50016948	16	ChEMBL_2227366 (CHEMBL5140879)	Inhibition of Pseudomonas aeruginosa LecB incubated for 8 to 22 hrs by fluorescence polarization based competitive binding analysis
50016948	17	ChEMBL_2227367 (CHEMBL5140880)	Binding affinity to Pseudomonas aeruginosa LecB assessed as dissociation constant by isothermal titration calorimetry
50016948	18	ChEMBL_2227368 (CHEMBL5140881)	Inhibition of Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24 hrs by fluorescence polarization based competitive binding analysis
50016948	19	ChEMBL_2227369 (CHEMBL5140882)	Binding affinity to Pseudomonas aeruginosa PAO1 LecB assessed as dissociation constant by isothermal titration calorimetry
50016948	20	ChEMBL_2227370 (CHEMBL5140883)	Inhibition of Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24 hrs by fluorescence polarization based competitive binding analysis
50016948	21	ChEMBL_2227371 (CHEMBL5140884)	Binding affinity to Pseudomonas aeruginosa PA14 LecB assessed as dissociation constant by isothermal titration calorimetry
50016948	22	ChEMBL_2227373 (CHEMBL5140886)	Binding affinity to Escherichia coli FimH assessed as dissociation constant by SPR analysis
50016950	1	ChEMBL_2227383 (CHEMBL5140896)	Binding affinity to human Androgen receptor
50016950	2	ChEMBL_2227384 (CHEMBL5140897)	Agonist activity at human Androgen receptor measured by CALUX bioassay
50016950	3	ChEMBL_2227385 (CHEMBL5140898)	Agonist activity at human Androgen receptor
50016950	4	ChEMBL_2227387 (CHEMBL5140900)	Displacement of [3H]methyltrienolone from Androgen receptor expressed in human MDA-MB-453 cells
50016950	5	ChEMBL_2227388 (CHEMBL5140901)	Agonist activity at human Androgen receptor expressed in human MDA-MB-453 cells cotransfected with MMTV-Luc assessed as transactivation modulation of AR measured by luciferase reporter assay
50016950	6	ChEMBL_2227389 (CHEMBL5140902)	Binding affinity to rat Androgen receptor in African green monkey COS-7 cells measured by whole-cell binding assay
50016950	7	ChEMBL_2227390 (CHEMBL5140903)	Binding affinity to human Androgen receptor measured by fluorescence polarization assay
50016950	8	ChEMBL_2227391 (CHEMBL5140904)	Agonist activity at Androgen receptor expressed in mouse C2C12 cells
50016950	9	ChEMBL_2227393 (CHEMBL5140906)	Agonist activity to human Androgen receptor in African green monkey COS-7 cells measured by luciferase reporter assay
50016950	10	ChEMBL_2227400 (CHEMBL5140913)	Binding affinity to rat Androgen receptor
50016950	11	ChEMBL_2227401 (CHEMBL5140914)	Agonist activity at rat Androgen receptor
50016950	12	ChEMBL_2227402 (CHEMBL5140915)	Binding affinity to Androgen receptor (unknown origin)
50016950	13	ChEMBL_2227403 (CHEMBL5140916)	Agonist activity at Androgen receptor (unknown origin) measured by androgen response element luciferase assay
50016950	14	ChEMBL_2227406 (CHEMBL5140919)	Displacement of [3H]mibolerone from Androgen receptor (unknown origin) measured by liquid scintillation counting method
50016950	15	ChEMBL_2227407 (CHEMBL5140920)	Agonist activity at Androgen receptor (unknown origin)
50016950	16	ChEMBL_2227411 (CHEMBL5140924)	Displacement of [3H]DHT from Androgen receptor expressed in human MDA-MB-453 cells
50016950	17	ChEMBL_2227412 (CHEMBL5140925)	Agonist activity at Androgen receptor (unknown origin) transfected in mouse C2C12 cells measured by luciferase reporter assay
50016950	18	ChEMBL_2227415 (CHEMBL5140928)	Partial agonist activity at human Androgen receptor
50016950	19	ChEMBL_2227416 (CHEMBL5140929)	Agonist activity at human Androgen receptor expressed in African green monkey CV-1 cells measured by ARE-luciferase assay
50016950	20	ChEMBL_2227417 (CHEMBL5140930)	Activation of human Androgen receptor N/C (N-terminal/C-terminal) interaction
50016950	21	ChEMBL_2227418 (CHEMBL5140931)	Agonist activity at Androgen receptor in human 22Rv1 cells cotransfected with pARE-LUC measured by luciferase assay
50016950	22	ChEMBL_2227423 (CHEMBL5140936)	Antagonist activity at Androgen receptor in human MDA-MB-453 cells measured by SEAP reporter gene assay
50016950	23	ChEMBL_2227424 (CHEMBL5140937)	Antagonist activity at Androgen receptor in human LNCaP cells measured by SEAP reporter gene assay
50016950	24	ChEMBL_2227430 (CHEMBL5140943)	Antagonist activity at Androgen receptor (unknown origin)
50016950	25	ChEMBL_2227432 (CHEMBL5140945)	Binding affinity to wild-type Androgen receptor (unknown origin)
50016950	26	ChEMBL_2227433 (CHEMBL5140946)	Binding affinity to bicalutamide-resistant Androgen receptor T877A mutant (unknown origin)
50016950	27	ChEMBL_2227434 (CHEMBL5140947)	Antagonist activity at wild-type Androgen receptor (unknown origin) expressed in African green monkey COS-7 cells measured as gene transcription level
50016950	28	ChEMBL_2227435 (CHEMBL5140948)	Antagonist activity at Androgen receptor T877A mutant (unknown origin) expressed in African green monkey COS-7 cells measured as gene transcription level
50016950	29	ChEMBL_2227440 (CHEMBL5140953)	Antagonist activity at Androgen receptor (unknown origin) in African green monkey COS-1 cells
50016950	30	ChEMBL_2227442 (CHEMBL5140955)	Antagonist activity at human Androgen receptor measured by AR-mediated transcriptional activation assay
50016950	31	ChEMBL_2227444 (CHEMBL5140957)	Binding affinity to bicalutamide-resistant Androgen receptor T878A mutant (unknown origin)
50016950	32	ChEMBL_2227449 (CHEMBL5140962)	Antagonist activity at Androgen receptor (unknown origin) assessed as downregulation of AR
50016950	33	ChEMBL_2227453 (CHEMBL5140966)	Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibition of PSA expression
50016950	34	ChEMBL_2227457 (CHEMBL5140970)	Antagonist activity at Androgen receptor in human LNCaP C4-2 cells transfected with PSA6.1-luc and pRL-TK measured by luciferase gene reporter assay
50016950	35	ChEMBL_2227458 (CHEMBL5140971)	Antagonist activity at Androgen receptor in human MDA-kb2 cells
50016950	36	ChEMBL_2227461 (CHEMBL5140974)	Antagonist activity at Androgen receptor in human LNCaP cells measured by transcriptional reporter assay
50016950	37	ChEMBL_2227462 (CHEMBL5140975)	Antagonist activity at Androgen receptor F877L mutant in human LNCaP cells measured by transcriptional reporter assay
50016950	38	ChEMBL_2227466 (CHEMBL5140979)	Antagonist activity at Androgen receptor (unknown origin) assessed as inhibition of activation function 1 (AF-1) of AR N-terminal transactivation domain (NTD)
50016950	39	ChEMBL_2227474 (CHEMBL5140987)	Binding affinity to rat Androgen receptor ligand binding domain measured by competitive ligand binding assay
50016950	40	ChEMBL_2227476 (CHEMBL5140989)	Antagonist activity at wild-type human Androgen receptor measured by TR-FRET assay
50016950	41	ChEMBL_2227477 (CHEMBL5140990)	Antagonist activity at human Androgen receptor T877A mutant measured by TR-FRET assay
50016950	42	ChEMBL_2227480 (CHEMBL5140993)	Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibition of Binding Function 3 (BF3) of AR measured by enhanced green fluorescent protein transcriptional (eGFPT) assay
50016950	43	ChEMBL_2227483 (CHEMBL5140996)	Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibition of Binding Function 3 (BF3) of AR measured by luciferase assay
50016950	44	ChEMBL_2227484 (CHEMBL5140997)	Antagonist activity at Androgen receptor in human LNCaP cells assessed as inhibition of DNA binding domain of AR measured by enhanced green fluorescent protein transcriptional (eGFPT) assay
50016954	1	ChEMBL_2227528 (CHEMBL5141041)	Binding affinity to TSPO (unknown origin)
50016955	1	ChEMBL_2227548 (CHEMBL5141061)	Inhibition of human recombinant His-tagged MAT2A expressed in Escherichia coli expression system assessed as S-adenosyl methionine production using L-methionine as substrate incubated for 20 mins followed by L-methionine and ATP addition by malachite green phosphate assay
50016955	2	ChEMBL_2227549 (CHEMBL5141062)	Inhibition of N-terminal TEV cleavable 6His-tagged human MAT2A (1 to 395 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as S-adenosyl methionine production using L-methionine as substrate incubated for 30 mins followed by L-methionine and ATP addition by MS/MS analysis
50016955	3	ChEMBL_2227550 (CHEMBL5141063)	Inhibition of MAT2A in human NCI-H520 cells transfected with MAT2A empty vector assessed as inhibition of S-adenosyl methionine production measured after 6 hrs by Rapid Fire Mass Spectrometry analysis
50016955	4	ChEMBL_2227551 (CHEMBL5141064)	Inhibition of MAT2A in human Huh-7 cells assessed as inhibition of S-adenosyl methionine production measured after 6 hrs by Rapid Fire Mass Spectrometry analysis
50016955	5	ChEMBL_2227553 (CHEMBL5141066)	Inhibition of human MAT2A expressed in baculovirus infected Sf9 cells expression system assessed as S-adenosyl methionine production using L-methionine as substrate pretreated for 60 mins followed by L-methionine and ATP addition
50016955	6	ChEMBL_2227556 (CHEMBL5141069)	Inhibition of MAT2A (unknown origin) assessed as S-adenosyl methionine production using L-methionine as substrate pretreated for 60 mins followed by L-methionine and ATP addition
50016955	7	ChEMBL_2227559 (CHEMBL5141072)	Inhibition of human MAT2A assessed as S-adenosyl methionine production using L-methionine as substrate pretreated for 60 mins followed by L-methionine and ATP addition by colorimetric analysis
50016957	1	ChEMBL_2227562 (CHEMBL5141075)	Binding affinity towards Nurr1 ligand binding domain (unknown origin) measured by tryptophan fluorescence spectroscopy
50016957	2	ChEMBL_2227563 (CHEMBL5141076)	Agonist activity at Nurr1 in human SK-N-BE(2)-C cells measured by NBRE-based luciferase reporter gene assay
50016957	3	ChEMBL_2227564 (CHEMBL5141077)	Agonist activity at Nurr1 in human SK-N-BE(2)-C cells measured by Gal4-based luciferase reporter gene assay
50016957	4	ChEMBL_2227565 (CHEMBL5141078)	Agonist activity at Nurr1 in mouse MN9D cells measured by NBRE-based luciferase reporter gene assay
50016957	5	ChEMBL_2227566 (CHEMBL5141079)	Agonist activity at Nurr1 in mouse MN9D cells measured by Gal4-based luciferase reporter gene assay
50016957	6	ChEMBL_2227567 (CHEMBL5141080)	Agonist activity at Nurr1 in rat N27-A cells measured by NBRE-based luciferase reporter gene assay
50016957	7	ChEMBL_2227568 (CHEMBL5141081)	Agonist activity at Nurr1 in rat N27-A cells measured by Gal4-based luciferase reporter gene assay
50016957	8	ChEMBL_2227569 (CHEMBL5141082)	Agonist activity at Nurr1 ligand binding domain (unknown origin) measured by Gal4-based reporter gene assay
50016957	9	ChEMBL_2227570 (CHEMBL5141083)	Agonist activity at Nurr1 (unknown origin)
50016957	10	ChEMBL_2227571 (CHEMBL5141084)	Binding affinity towards Nurr1 ligand binding domain (unknown origin) measured by microscale thermophoresis (MST) method
50016957	11	ChEMBL_2227572 (CHEMBL5141085)	Agonist activity at human Nurr1 measured by Gal4-Nurr1 hybrid reporter gene assay
50016957	12	ChEMBL_2227573 (CHEMBL5141086)	Inverse agonist activity at Nurr1 (unknown origin)
50016957	13	ChEMBL_2227575 (CHEMBL5141088)	Inverse agonist activity at Gal4-fused Nurr1 (unknown origin)
50016958	1	ChEMBL_2227577 (CHEMBL5141090)	Binding affinity to SIRT5 (unknown origin) assessed as desuccinylation activity by measuring dissociation constant
50016958	2	ChEMBL_2227578 (CHEMBL5141091)	Binding affinity to SIRT5 (unknown origin) assessed as desuccinylation activity by measuring inhibition constant
50016958	3	ChEMBL_2227582 (CHEMBL5141095)	Inhibition of SIRT5 desuccinylase activity (unknown origin)
50016958	4	ChEMBL_2227583 (CHEMBL5141096)	Inhibition of SIRT5 deglutarylase activity (unknown origin)
50016958	5	ChEMBL_2227584 (CHEMBL5141097)	Binding affinity to SIRT5 (unknown origin) assessed as deglutarylase activity by measuring inhibition constant
50016958	6	ChEMBL_2227593 (CHEMBL5141106)	Inhibition of human recombinant SIRT5 using fluorogenic Benzyl-Lys(Succinyl)-AMC as substrate incubated for 2 hrs measured by fluoroscence based microplate reader method
50016958	7	ChEMBL_2227597 (CHEMBL5141110)	Inhibition of SIRT5 activity (unknown origin)
50016958	8	ChEMBL_2227599 (CHEMBL5141112)	Inhibition of His6-tagged SIRT1 (unknown origin) desuccinylase activity incubated for 10 mins by HPLC based assay
50016958	9	ChEMBL_2227600 (CHEMBL5141113)	Inhibition of His6-tagged SIRT2 (unknown origin) desuccinylase activity incubated for 12 mins by HPLC based assay
50016958	10	ChEMBL_2227601 (CHEMBL5141114)	Inhibition of His6-tagged SIRT3 (unknown origin) desuccinylase activity incubated for 10 mins by HPLC based assay
50016958	11	ChEMBL_2227602 (CHEMBL5141115)	Inhibition of His6-tagged SIRT6 (unknown origin) desuccinylase activity incubated for 12 mins by HPLC based assay
50016958	12	ChEMBL_2227603 (CHEMBL5141116)	Inhibition of GST-tagged SIRT5 desuccinylase activity (unknown origin) incubated for 5 mins by HPLC based assay
50016958	13	ChEMBL_2227604 (CHEMBL5141117)	Inhibition of SIRT5 desuccinylase activity (unknown origin) using succinyl-lysine as substrate
50016958	14	ChEMBL_2227607 (CHEMBL5141120)	Inhibition of NAD+ dependent SIRT5 (unknown origin) using chicken histone as substrate
50016958	15	ChEMBL_2227608 (CHEMBL5141121)	Inhibition of recombinant SIRT1 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase assay
50016958	16	ChEMBL_2227609 (CHEMBL5141122)	Inhibition of recombinant SIRT2 (unknown origin) using histone deacetylase as substrate incubated for 4 hrs by homogenous fluorescent deacetylase assay
50016958	17	ChEMBL_2227610 (CHEMBL5141123)	Inhibition of SIRT5 (unknown origin) desuccinylation activity
50016958	18	ChEMBL_2227611 (CHEMBL5141124)	Inhibition of Raf-1 (unknown origin)
50016959	1	ChEMBL_2227616 (CHEMBL5141129)	Inhibition of KDM4E (unknown origin)
50016959	2	ChEMBL_2227617 (CHEMBL5141130)	Inhibition of GST-tagged KDM4B (unknown origin) using H3K9(me3)-biotin peptide as substrate incubated for 30 mins and measured after 15 mins by TR-FRET assay
50016959	3	ChEMBL_2227623 (CHEMBL5141136)	Inhibition of KDM4A (unknown origin) measured by formaldehyde dehydrogenase (FDH)-coupled assay
50016959	4	ChEMBL_2227624 (CHEMBL5141137)	Inhibition of KDM4A (unknown origin) measured by antibody-based LANCE Ultra assay
50016959	5	ChEMBL_2227625 (CHEMBL5141138)	Inhibition of human KDM4E heterogenously expressed in Escherichia coli using biotin-H3(1-15)K9Me3 as substrate and measured by Alphascreen assay
50016959	6	ChEMBL_2227626 (CHEMBL5141139)	Inhibition of KDM4C (unknown origin) measured by RapidFire mass spectrometry (RFMS)
50016959	7	ChEMBL_2227627 (CHEMBL5141140)	Inhibition of KDM4D (unknown origin) measured by RapidFire mass spectrometry (RFMS)
50016959	8	ChEMBL_2227628 (CHEMBL5141141)	Inhibition of KDM5C (unknown origin) measured by RapidFire mass spectrometry (RFMS)
50016959	9	ChEMBL_2227629 (CHEMBL5141142)	Inhibition of KDM4C (unknown origin) measured by cell imaging assay
50016959	10	ChEMBL_2227630 (CHEMBL5141143)	Inhibition of KDM5C (unknown origin) measured by by cell imaging assay
50016959	11	ChEMBL_2227631 (CHEMBL5141144)	Inhibition of N-terminal GST-tagged recombinant human KDM4B (1 to 500 residues) expressed in baculovirus-infected Sf9 cells using ARTKQTARK(Me3)STGGKAPRKQLA-GGK-biotin as substrate and measured by Alphascreen assay
50016959	12	ChEMBL_2227632 (CHEMBL5141145)	Inhibition of human KDM5B using H3(1-21)K4-Me3-GGK Biotin as substrate and measured by Alphascreen assay
50016959	13	ChEMBL_2227633 (CHEMBL5141146)	Binding affinity towards KDM4A (unknown origin)
50016959	14	ChEMBL_2227634 (CHEMBL5141147)	Binding affinity towards KDM5B (unknown origin)
50016959	15	ChEMBL_2227635 (CHEMBL5141148)	Inhibition of KDM4A (unknown origin) using H3K9me3 as substrate and measured by LANCE TR-FRET assay
50016959	16	ChEMBL_2227636 (CHEMBL5141149)	Inhibition of KDM4B (unknown origin) using H3K9me3 as substrate and measured by LANCE TR-FRET assay
50016959	17	ChEMBL_2227637 (CHEMBL5141150)	Inhibition of KDM4C (unknown origin) using H3K9me3 as substrate and measured by LANCE TR-FRET assay
50016959	18	ChEMBL_2227638 (CHEMBL5141151)	Inhibition of KDM4D (unknown origin) using H3K9me3 as substrate and measured by LANCE TR-FRET assay
50016959	19	ChEMBL_2227640 (CHEMBL5141153)	Inhibition of KDM4C in human KYSE-150 cells overexpressing KDM4C assessed as increase in H3K36me3 measured by HTRF assay
50016959	20	ChEMBL_2227641 (CHEMBL5141154)	Inhibition of N-terminal GST-tagged human KDM4C (2 to 372 residues) expressed in baculovirus-infected Sf9 cells measured by high-throughput mass spectrometry assay
50016959	21	ChEMBL_2227642 (CHEMBL5141155)	Inhibition of KDM4C (1 to 352 residues) (unknown origin) using biotin-tagged histone H3 (residues 1-21) lysine 9 trimethylated peptide as substrate incubated for 45 mins in presence of 2 uM 2-OG and measured after 1 hr by TR-FRET assay
50016959	22	ChEMBL_2227643 (CHEMBL5141156)	Inhibition of human KDM4A (1 to 350 residues) measured by ELISA assay
50016959	23	ChEMBL_2227644 (CHEMBL5141157)	Inhibition of KDM4B (unknown origin) measured by ELISA assay
50016959	24	ChEMBL_2227645 (CHEMBL5141158)	Inhibition of KDM4C (unknown origin) measured by ELISA assay
50016959	25	ChEMBL_2227646 (CHEMBL5141159)	Inhibition of His-tagged human KDM4D (1 to 350 residues) measured by ELISA assay
50016959	26	ChEMBL_2227647 (CHEMBL5141160)	Inhibition of N-terminal His6-tagged human KDM4E (1 to 337 residues) measured by ELISA assay
50016959	27	ChEMBL_2227648 (CHEMBL5141161)	Inhibition of KDM5A (unknown origin) measured by ELISA assay
50016959	28	ChEMBL_2227649 (CHEMBL5141162)	Inhibition of KDM4D (unknown origin)
50016959	29	ChEMBL_2227650 (CHEMBL5141163)	Inhibition of N-terminal His-tagged human KDM4A using ARK(me3)STGGK peptide as substrate preincubated for 15 mins followed by susbtrate addition measured by matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) mass spectrometry method
50016959	30	ChEMBL_2227651 (CHEMBL5141164)	Inhibition of KDM4E (unknown origin) measured by Alphascreen assay
50016959	31	ChEMBL_2227652 (CHEMBL5141165)	Inhibition of human KDM4B (1 to 500 residues) measured by antibody-based fluorometric assay
50016959	32	ChEMBL_2227653 (CHEMBL5141166)	Inhibition of KDM4C (unknown origin) using H3K9me3 as substrate and measured by antibody-based assay
50016959	33	ChEMBL_2227654 (CHEMBL5141167)	Inhibition of human KDM4A (1 to 359 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	34	ChEMBL_2227655 (CHEMBL5141168)	Inhibition of human KDM4B (1 to 347 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	35	ChEMBL_2227656 (CHEMBL5141169)	Inhibition of human KDM4C (1 to 347 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	36	ChEMBL_2227657 (CHEMBL5141170)	Inhibition of human KDM4D (1 to 378 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	37	ChEMBL_2227658 (CHEMBL5141171)	Inhibition of human KDM4E (1 to 378 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	38	ChEMBL_2227659 (CHEMBL5141172)	Inhibition of N-terminal His6-tagged human KDM4E (1 to 337 residues) catalytic domain measured formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	39	ChEMBL_2227663 (CHEMBL5141176)	Inhibition of KDM4A (unknown origin) measured by formaldehyde dehydrogenase (FDH)-coupled fluorescence assay
50016959	40	ChEMBL_2227664 (CHEMBL5141177)	Inhibition of KDM4A (unknown origin) measured by LANCEUltra assay
50016959	41	ChEMBL_2227665 (CHEMBL5141178)	Inhibition of KDM4A in human KYSE-150 cells assessed as increase in H3K9me3 level
50016959	42	ChEMBL_2227668 (CHEMBL5141181)	Inhibition of KDM4D (unknown origin) measured by AlphaLisa-based screening assay
50016959	43	ChEMBL_2227669 (CHEMBL5141182)	Inhibition of KDM4A (unknown origin) measured by AlphaLisa-based screening assay
50016959	44	ChEMBL_2227670 (CHEMBL5141183)	Inhibition of His6-tagged recombinant human KDM4A (1 to 359 residues) measured by fluorescence polarization based competitive binding assay
50016959	45	ChEMBL_2227671 (CHEMBL5141184)	Inhibition of KDM2A in human MIA PaCa-2 cells assessed as induction of H3K36me2 measured by immunofluorescence assay
50016959	46	ChEMBL_2227672 (CHEMBL5141185)	Inhibition of KDM4A in human MIA PaCa-2 cells assessed as induction of H3K9me3 measured by immunofluorescence assay
50016959	47	ChEMBL_2227673 (CHEMBL5141186)	Inhibition of recombinant KDM4A (unknown origin) using H3K9me3 peptide as substrate and measured by formaldehyde dehydrogenase (FDH)-coupled assay
50016959	48	ChEMBL_2227674 (CHEMBL5141187)	Inhibition of KDM4C (unknown origin) measured by TR-FRET assay
50016959	49	ChEMBL_2227675 (CHEMBL5141188)	Inhibition of KDM4A (unknown origin) measured by AlphaScreen assay
50016959	50	ChEMBL_2227676 (CHEMBL5141189)	Inhibition of KDM4B (unknown origin) measured by AlphaScreen assay
50016959	51	ChEMBL_2227677 (CHEMBL5141190)	Inhibition of KDM4C (unknown origin) measured by AlphaScreen assay
50016959	52	ChEMBL_2227678 (CHEMBL5141191)	Inhibition of KDM5A (unknown origin) measured by AlphaScreen assay
50016959	53	ChEMBL_2227679 (CHEMBL5141192)	Inhibition of KDM6B (unknown origin) measured by AlphaScreen assay
50016959	54	ChEMBL_2227680 (CHEMBL5141193)	Inhibition of KDM4A (unknown origin) measured by peptide-based histone trimethylation assay
50016959	55	ChEMBL_2227681 (CHEMBL5141194)	Inhibition of human KDM4A measured by AlphaLISA assay
50016959	56	ChEMBL_2227682 (CHEMBL5141195)	Inhibition of human KDM4B measured by AlphaLISA assay
50016959	57	ChEMBL_2227683 (CHEMBL5141196)	Inhibition of human KDM4C measured by AlphaLISA assay
50016959	58	ChEMBL_2227684 (CHEMBL5141197)	Inhibition of human KDM4D measured by AlphaLISA assay
50016959	59	ChEMBL_2227685 (CHEMBL5141198)	Inhibition of binding of H3K4Me3 to KDM4A tudor domain (unknown origin) measured by NanoBRET-based cellular proximity assay
50016959	60	ChEMBL_2227686 (CHEMBL5141199)	Inhibition of recombinant HQ5-Halo-tagged KDM5A PHD3 domain (unknown origin) measured by fluorescence polarization assay
50016959	61	ChEMBL_2227687 (CHEMBL5141200)	Inhibition of recombinant HQ5-Halo-tagged KDM4A tudor domain (unknown origin) measured by fluorescence polarization assay
50016959	62	ChEMBL_2227691 (CHEMBL5141204)	Inhibition of KDM5A (unknown origin) in presence of 4 uM 2-OG
50016959	63	ChEMBL_2227692 (CHEMBL5141205)	Inhibition of KDM5A (unknown origin) in presence of 300 uM 2-OG
50016959	64	ChEMBL_2227693 (CHEMBL5141206)	Inhibition of KDM5B (unknown origin) in presence of 4 uM 2-OG
50016959	65	ChEMBL_2227694 (CHEMBL5141207)	Inhibition of KDM5B (unknown origin) in presence of 300 uM 2-OG
50016959	66	ChEMBL_2227695 (CHEMBL5141208)	Inhibition of KDM5C (unknown origin) in presence of 4 uM 2-OG
50016959	67	ChEMBL_2227696 (CHEMBL5141209)	Inhibition of KDM5C (unknown origin) in presence of 300 uM 2-OG
50016959	68	ChEMBL_2227697 (CHEMBL5141210)	Inhibition of KDM5D (unknown origin) in presence of 4 uM 2-OG
50016959	69	ChEMBL_2227698 (CHEMBL5141211)	Inhibition of KDM5D (unknown origin) in presence of 300 uM 2-OG
50016962	1	ChEMBL_2227701 (CHEMBL5141214)	Inhibition of N-terminal GST tagged recombinant human EGFR L858R/T790M (669 to end residues) double mutant expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	2	ChEMBL_2227703 (CHEMBL5141216)	Inhibition of N-terminal GST tagged recombinant wild type human EGFR expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	3	ChEMBL_2227704 (CHEMBL5141217)	Inhibition of EGF stimulated EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 cells preincubated for 4 to 5 hrs followed by EGF stimulation for 10 mins by AlphaLISA method
50016962	4	ChEMBL_2227705 (CHEMBL5141218)	Inhibition of wild type EGFR in human A-431 cells preincubated for 4 to 5 hrs followed by EGF stimulation for 10 mins by AlphaLISA method
50016962	5	ChEMBL_2227733 (CHEMBL5141246)	Inhibition of N-terminal GST tagged recombinant human EGFR L858R mutant (668 to end residues) expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	6	ChEMBL_2227734 (CHEMBL5141247)	Inhibition of N-terminal GST tagged recombinant human EGFR ex19del (746 to 750) mutant expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	7	ChEMBL_2227735 (CHEMBL5141248)	Inhibition of N-terminal GST tagged recombinant human EGFR ex19del(746 to 750)/T790M mutant (668 to end residues) expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	8	ChEMBL_2227736 (CHEMBL5141249)	Inhibition of N-terminal GST tagged recombinant human EGFR ex19del(746 to 750)/ T790M/C790S mutant (668 to end residues) expressed in baculovirus infected Sf9 insect cells expression system using 5-FAM-EEPLYINSFPAKKK-CONH peptide as substrate preincubated for 10 mins followed by peptide substrate addition in presence of ATP
50016962	9	ChEMBL_2227737 (CHEMBL5141250)	Inhibition of EGF-stimulated EGFR ex19del (746 to 750) mutant phosphorylation in human PC-9 cells preincubated for 4 to 5 hrs followed by EGF stimulation for 10 mins by AlphaLISA method
50016962	10	ChEMBL_2227738 (CHEMBL5141251)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of protein phosphorylation
50016962	11	ChEMBL_2227739 (CHEMBL5141252)	Inhibition of EGFR ex19del/T790M/C797S triple mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of protein phosphorylation
50016963	1	ChEMBL_2227759 (CHEMBL5141272)	Displacement of [125I]-[Nle4-D-phe7]-alpha-MSH from to human MC4R expressed in CHO cells incubated for 2 hrs by liquid scintillation counting method
50016967	1	ChEMBL_2227761 (CHEMBL5141274)	Inhibition of GST-tagged recombinant human JAK1 (866 to 1154 residues) expressed in baculovirus infection system by FRET assay
50016967	2	ChEMBL_2227762 (CHEMBL5141275)	Inhibition of GST tagged recombinant human JAK2 expressed in baculovirus infection system by FRET assay
50016967	3	ChEMBL_2227763 (CHEMBL5141276)	Inhibition of GST tagged recombinant human JAK3 expressed in baculovirus infection system by FRET assay
50016967	4	ChEMBL_2227764 (CHEMBL5141277)	Inhibition of human TYK2 by FRET assay
50016967	5	ChEMBL_2227785 (CHEMBL5141298)	Inhibition of human ARK5
50016967	6	ChEMBL_2227786 (CHEMBL5141299)	Inhibition of human CDK16/cyclin-Y protein-protein complex
50016967	7	ChEMBL_2227787 (CHEMBL5141300)	Inhibition of human FLT3
50016967	8	ChEMBL_2227788 (CHEMBL5141301)	Inhibition of human JAK1
50016967	9	ChEMBL_2227789 (CHEMBL5141302)	Inhibition of human JAK2
50016967	10	ChEMBL_2227790 (CHEMBL5141303)	Inhibition of human JAK3
50016967	11	ChEMBL_2227791 (CHEMBL5141304)	Inhibition of human TYK2
50016969	1	ChEMBL_2227851 (CHEMBL5141364)	Inhibition of human plasma coagulation factor XIa using Boc-Glu(OBzl)-Ala-Arg-MCA as substrate preincubated for 5 to 15 mins followed by substrate addition and measured at 5 mins interval for 2 hrs by fluorescence based envision plate reader method
50016969	2	ChEMBL_2227852 (CHEMBL5141365)	Inhibition of human coagulation factor XIa assessed as inhibition constant using 5FAM-Lys.Leu-Thr-Arg-Ala-Glu-Thr-Val-Lys(5Tamra)-amide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50016969	3	ChEMBL_2227883 (CHEMBL5141396)	Inhibition of human plasma coagulation factor Xa using CH3SO2-D-CHA-Gly-Arg-AMC-AcOH as substrate preincubated for 5 to 15 mins followed by substrate addition and measured at 5 mins interval for 2 hrs by fluorescence based envision plate reader method
50016969	4	ChEMBL_2227884 (CHEMBL5141397)	Inhibition of C-terminal 6-His tagged human plasma kallikrein (20 to 638 residues) using Z-FR-AMC as substrate preincubated for 5 to 15 mins followed by substrate addition and measured at 5 min interval for 2 hrs by fluorescence based envision plate reader method
50016969	5	ChEMBL_2227885 (CHEMBL5141398)	Inhibition of human thrombin using H-D-CHA -Ala-Arg-AMC.2AcOH as substrate preincubated for 5 to 15 mins followed by substrate addition and measured at 5 min interval for 2 hrs by fluorescence based envision plate reader method
50016969	6	ChEMBL_2227901 (CHEMBL5141414)	Inhibition of hERG
50016971	1	ChEMBL_2227920 (CHEMBL5141433)	Inhibition of human COX-2 assessed as by fluorescence based microplate reader assay
50016971	2	ChEMBL_2227923 (CHEMBL5141436)	Inhibition of human topoisomerase I assessed as DNA relaxation using DNA pBR322 as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis
50016975	1	ChEMBL_2228069 (CHEMBL5141582)	Activation of basal state recombinant PKG1alpha (unknown origin) using Glass-tide peptide substrate incubated for 30 mins followed by ATP addition and measured after 2 hr by ADP-GLO Max Assay
50016975	2	ChEMBL_2228070 (CHEMBL5141583)	Activation of cGMP induced partially activated state recombinant PKG1alpha (unknown origin) using Glass-tide peptide substrate incubated for 30 mins followed by ATP addition and measured after 2 hr in presence of cGMP by ADP-GLO Max Assay
50016975	3	ChEMBL_2228073 (CHEMBL5141586)	Activation of PKG1alpha in human HEK293 cells stably expressing VASP assessed as VSAP phosphorylation at Ser 239 incubated for 45 mins by HTRF assay
50016975	4	ChEMBL_2228085 (CHEMBL5141598)	Activation of cGMP induced partially activated state recombinant human full length N-terminal His tagged PKG1beta expressed in Baculovirus infected Sf9 cell expression system using Glass-tide peptide substrate incubated for 30 mins followed by ATP addition and measured after 1 hr in presence of cGMP by ADP-GLO Max Assay
50016978	1	ChEMBL_2228087 (CHEMBL5141600)	Inhibition of N-terminal human recombinant PKMYT1 (76 to 362 residues) expressed in Escherichia coli (DE3) RIL preincubated with compound for 15 mins in presence of ATP followed by 1 hr incubation by ADP-glo luminescence assay
50016978	2	ChEMBL_2228088 (CHEMBL5141601)	Inhibition of CYP2D6 (unknown origin)
50016978	3	ChEMBL_2228089 (CHEMBL5141602)	Inhibition of CYP2C9 (unknown origin)
50016978	4	ChEMBL_2228092 (CHEMBL5141605)	Inhibition of CYP3A4 (unknown origin)
50016978	5	ChEMBL_2228093 (CHEMBL5141606)	Inhibition of WEE1 (unknown origin)
50016978	6	ChEMBL_2228094 (CHEMBL5141607)	Inhibition of N-terminal recombinant PKMYT1 (76 to 362 residues) in CCNE1 amplified human FU-OV-1 cells assessed as phosphorylation of CDK1 at Thr14 incubated for 2 hrs by AlphaLisa assay
50016978	9	ChEMBL_2228112 (CHEMBL5141625)	Inhibition of human ERG by patch-clamp assay
50016979	1	ChEMBL_2228158 (CHEMBL5141671)	Binding affinity to N-terminal GST-tagged human NSD2 PWWP1 domain (208 to 369 residues) expressed in Escherichia coli BL2I (DE3) cells assessed as dissociation constant by isothermal titration calorimetry assay
50016979	2	ChEMBL_2228216 (CHEMBL5141729)	Binding affinity to biotinylated human NSD2 PWWP1 domain (208 to 368 residues) expressed in Escherichia coli BL2I (DE3) cells assessed as dissociation constant by surface plasmon resonance analysis
50016980	1	ChEMBL_2228217 (CHEMBL5141730)	Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting method
50016980	2	ChEMBL_2228218 (CHEMBL5141731)	Displacement of [3H]DAMGO from rat MOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting method
50016980	3	ChEMBL_2228219 (CHEMBL5141732)	Displacement of [3H]DPDPE from rat DOR expressed in CHO cell membranes incubated for 30 mins by liquid scintillation counting method
50016980	4	ChEMBL_2228222 (CHEMBL5141735)	Agonist activity at human KOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50016980	5	ChEMBL_2228224 (CHEMBL5141737)	Agonist activity at rat MOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50016980	6	ChEMBL_2228226 (CHEMBL5141739)	Agonist activity at rat DOR expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay
50016984	1	ChEMBL_2228241 (CHEMBL5141754)	Inhibition of N-terminal 6His-tagged full length human recombinant INMT (1 to 263 residues) expressed in Escherichia coli BL21 (DE3) cells using S-(5'-Adenosyl)-L-methionine chloride dihydrochloride and 9H-pyrido[3,4-b]indole as substrate incubated for 2.5 hrs by MTase-Glo assay
50016984	2	ChEMBL_2228242 (CHEMBL5141755)	Inhibition of N-terminal 6His-tagged full length human recombinant NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) cells using S-adenosyl-L-methionine and NAM as substrate incubated for 22 to 24 hrs by RapidFire Mass Spectrometry
50016984	3	ChEMBL_2228243 (CHEMBL5141756)	Inhibition of NNMT in HEK293 cells measured after 20 to 24 hrs by RapidFire Mass Spectrometry
50016984	4	ChEMBL_2228245 (CHEMBL5141758)	Inhibition of N-terminal 6His-tagged full length human recombinant NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) cells using S-adenosyl-L-methionine and NAM as substrate incubated for 2 hrs by by RapidFire Mass Spectrometry
50016985	1	ChEMBL_2228293 (CHEMBL5141806)	Inhibition of N-terminal MBP-tagged full length human TPH1 assessed as reduction in 5-HTP formation incubated for 5 to 10 mins by fluorescence microplate reader analysis
50016985	2	ChEMBL_2228294 (CHEMBL5141807)	Inhibition of N-terminal MBP-tagged full length human TPH2 assessed as reduction in 5-HTP formation incubated for 5 to 10 mins by fluorescence microplate reader analysis
50016986	1	ChEMBL_2228478 (CHEMBL5141991)	Inhibition of human ERK potassium channel by automated patch clamp electrophysiology
50016989	1	ChEMBL_2228481 (CHEMBL5141994)	Inhibition of His fused human DHODH expressed in Escherichia coli using DHO as substrate by DCIP absorbance based colorimetry assay
50016989	2	ChEMBL_2228487 (CHEMBL5142000)	Binding affinity to His fused human DHODH expressed in Escherichia coli by surface plasmon resonance assay
50016989	3	ChEMBL_2228490 (CHEMBL5142003)	Inhibition of mouse DHODH
50016989	4	ChEMBL_2228491 (CHEMBL5142004)	Inhibition of rat DHODH
50016989	5	ChEMBL_2228507 (CHEMBL5142020)	Inhibition of hERG expressed in HEK293 cells by radioligand binding assay
50016989	6	ChEMBL_2228509 (CHEMBL5142022)	Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50016989	7	ChEMBL_2228510 (CHEMBL5142023)	Inhibition of CYP2C8 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50016989	8	ChEMBL_2228511 (CHEMBL5142024)	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50016989	9	ChEMBL_2228512 (CHEMBL5142025)	Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50016989	10	ChEMBL_2228513 (CHEMBL5142026)	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50016989	11	ChEMBL_2228514 (CHEMBL5142027)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 5 mins by LC-MS/MS analysis
50016990	1	ChEMBL_2228545 (CHEMBL5142058)	Inhibition of HDAC1 in human HeLa cells using BOC-K(Ac)-AMC as substrate measured after 30 mins by fluorescence based microtiter plate reader assay
50016990	2	ChEMBL_2228546 (CHEMBL5142059)	Inhibition of HDAC2 in human HeLa cells using BOC-K(Ac)-AMC as substrate measured after 30 mins by fluorescence based microtiter plate reader assay
50016990	3	ChEMBL_2228547 (CHEMBL5142060)	Inhibition of HDAC3 in human HeLa cells using BOC-K(Ac)-AMC as substrate measured after 30 mins by fluorescence based microtiter plate reader assay
50016990	4	ChEMBL_2228548 (CHEMBL5142061)	Inhibition of HDAC6 in human HeLa cells using BOC-K(Ac)-AMC as substrate measured after 30 mins by fluorescence based microtiter plate reader assay
50016990	5	ChEMBL_2228549 (CHEMBL5142062)	Inhibition of HDAC8 in human HeLa cells using BOC-K(Ac)-AMC as substrate measured after 30 mins by fluorescence based microtiter plate reader assay
50016993	1	ChEMBL_2228632 (CHEMBL5142145)	Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor stably expressing in human HEK293 cell membranes under dark condition by radioligand based competition binding assay
50016993	2	ChEMBL_2228633 (CHEMBL5142146)	Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor stably expressing in human HEK293 cell membranes in presence of light-activated compounds by radioligand based competition binding assay
50016993	3	ChEMBL_2228635 (CHEMBL5142148)	Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor stably expressing in human HEK293 cell membranes under dark condition by radioligand based competition binding assay
50016993	4	ChEMBL_2228636 (CHEMBL5142149)	Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor stably expressing in human HEK293 cell membranes in presence of light-activated compounds by radioligand based competition binding assay
50016993	5	ChEMBL_2228637 (CHEMBL5142150)	Agonist activity at human melatonin MT1 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins under dark condition by cAMP assay
50016993	6	ChEMBL_2228638 (CHEMBL5142151)	Agonist activity at human melatonin MT1 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins in presence of light-activated compounds by cAMP assay
50016993	7	ChEMBL_2228641 (CHEMBL5142154)	Agonist activity at human melatonin MT2 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins under dark condition by cAMP assay
50016993	8	ChEMBL_2228642 (CHEMBL5142155)	Agonist activity at human melatonin MT2 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins in presence of light-activated compounds by cAMP assay
50016994	1	ChEMBL_2228697 (CHEMBL5142210)	Inhibition of His-tagged SMARCA4 (unknown origin) (1448 to 1575 residues) using biotinylated ARTKQTARKSTGG-K(Ac)-APR-K(Ac)-QLAT-K(Ac)-AAR-K(Ac)-SAPGG-K as substrate incubated for 10 mins by TR-FRET assay
50016994	2	ChEMBL_2228698 (CHEMBL5142211)	Inhibition of SMARCA2 (unknown origin) by TR-FRET assay
50016994	3	ChEMBL_2228699 (CHEMBL5142212)	Inhibition of PBRM1 bromodomain 5 (unknown origin) by TR-FRET assay
50016994	4	ChEMBL_2228700 (CHEMBL5142213)	Inhibition of BRD4 bromodomain 1 (unknown origin) by TR-FRET assay
50016994	5	ChEMBL_2228701 (CHEMBL5142214)	Binding affinity to His6/FLAG-tagged SMARCA4 (unknown origin) by isothermal titration calorimetric assay
50016994	6	ChEMBL_2228702 (CHEMBL5142215)	Binding affinity to human SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by bromoscan assay
50016994	7	ChEMBL_2228703 (CHEMBL5142216)	Binding affinity to human SMARCA2 (S1337 to Q1486 residues) expressed in bacterial expression system by bromoscan assay
50016994	8	ChEMBL_2228704 (CHEMBL5142217)	Binding affinity to human PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by bromoscan assay
50016994	9	ChEMBL_2228705 (CHEMBL5142218)	Binding affinity to human PBRM1 bromodomain 2 (S178 to E291 residues) expressed in bacterial expression system by bromoscan assay
50016994	10	ChEMBL_2228706 (CHEMBL5142219)	Inhibition of SMARAC2 isoform B (unknown origin) expressed in U2OS cells co-expressed in NLS-ZsGreen incubated for 1 hrs by cellular target engagement assay
50016994	11	ChEMBL_2228707 (CHEMBL5142220)	Binding affinity to human MHHHHHHGSLVPRGS-tagged SMARAC2 isoform B (S1377 to Q1486 residues) by isothermal titration calorimetric assay
50016994	12	ChEMBL_2228708 (CHEMBL5142221)	Binding affinity to human MHHHHHHGSLVPRGS-tagged SMARAC2 isoform B L1412P/P1413V/S1414N mutant (S1377 to Q1486 residues) by isothermal titration calorimetric assay
50016994	13	ChEMBL_2228714 (CHEMBL5142227)	Inhibition of CYP3A4 (unknown origin)
50016994	14	ChEMBL_2228715 (CHEMBL5142228)	Inhibition of CYP2C8 (unknown origin)
50016994	15	ChEMBL_2228716 (CHEMBL5142229)	Inhibition of CYP2C19 (unknown origin)
50016994	16	ChEMBL_2228717 (CHEMBL5142230)	Inhibition of CYP1A2 (unknown origin)
50016994	17	ChEMBL_2228718 (CHEMBL5142231)	Inhibition of CYP2C9 (unknown origin)
50016994	18	ChEMBL_2228719 (CHEMBL5142232)	Inhibition of CYP2D6 (unknown origin)
50016996	1	ChEMBL_2228733 (CHEMBL5142246)	Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 1 hr by absorbance based microplate reader analysis
50016996	2	ChEMBL_2228735 (CHEMBL5142248)	Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 75 mins by UV absorbance based analysis
50017000	1	ChEMBL_2228778 (CHEMBL5142291)	Inhibition of human recombinant renin (67 to 406 residues) expressed in HEK293 cells using Nma-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-Dnp as fluorescent quenching substrate incubated for 1 hr by FRET analysis
50017000	2	ChEMBL_2228779 (CHEMBL5142292)	Displacement of 125I-labeled angiotensin I from from human plasma renin by gamma counter based competitive radioimmunoassay
50017000	3	ChEMBL_2228803 (CHEMBL5142316)	Inhibition of recombinant human renin
50017000	4	ChEMBL_2228804 (CHEMBL5142317)	Inhibition of human plasma renin
50017000	5	ChEMBL_2228805 (CHEMBL5142318)	Inhibition of recombinant glycosylated human renin expressed in CHO cells
50017001	1	ChEMBL_2228808 (CHEMBL5142321)	Inhibition of Influenza A virus A/PR/8/1934 (H1N1) neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by fluorescence based microplate reader method
50017001	2	ChEMBL_2228812 (CHEMBL5142325)	Inhibition of Influenza A virus A/California/04/2009 (H1N1) Neuraminidase H274Y mutant using MUNANA as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by fluorescence based microplate reader method
50017001	3	ChEMBL_2228820 (CHEMBL5142333)	Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass spectrometry
50017001	4	ChEMBL_2228821 (CHEMBL5142334)	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass spectrometry
50017001	5	ChEMBL_2228822 (CHEMBL5142335)	Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass spectrometry
50017001	6	ChEMBL_2228823 (CHEMBL5142336)	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass spectrometry
50017001	7	ChEMBL_2228824 (CHEMBL5142337)	Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass spectrometry
50017005	1	ChEMBL_2228865 (CHEMBL5142378)	Inhibition of ALKBH5 (unknown origin)
50017005	2	ChEMBL_2228866 (CHEMBL5142379)	Inhibition of recombinant FTO (unknown origin) using m6A Broccoli as substrate incubated for 2 hrs
50017006	1	ChEMBL_2228890 (CHEMBL5142403)	Inhibition of recombinant human full-length His-tagged ABL1 cytoplasmic domain expressed in baculovirus expression system using Tyr 02 as substrate measured after 1 hr by Z'-lyte assay
50017006	2	ChEMBL_2228891 (CHEMBL5142404)	Inhibition of recombinant human full-length His-tagged ABL1 T315I mutant cytoplasmic domain expressed in baculovirus infected insect cells using Tyr 02 as substrate measured after 1 hr by Z'-lyte assay
50017006	3	ChEMBL_2228892 (CHEMBL5142405)	Inhibition of ABL1 (unknown origin)
50017006	4	ChEMBL_2228893 (CHEMBL5142406)	Inhibition of ABL1 T315I mutant (unknown origin)
50017008	1	ChEMBL_2228897 (CHEMBL5142410)	Antagonist activity at human Galphai2-fused GPR84 stably expressed in Flp-In-T-REx-293 cell membranes assessed as inhibition of PSB-16671-induced [35S]GTPgammaS binding preincubated for 15 mins followed by PSB-16671 addition and measured after 45 mins by liquid scintillation counting analysis
50017011	1	ChEMBL_2228917 (CHEMBL5142430)	Inhibition of trypsin (unknown origin) using Nalpha-benzoyl-D/L-arginine-4-nitroanilide hydrochloride as substrate preincubated for 5 mins followed by substrate addition and measured upto 30 mins by absorbance based assay
50017015	1	ChEMBL_2228973 (CHEMBL5142486)	Inhibition of human recombinant UGT1A1 using bilirubin as substrate incubated for 40 mins by LC-MS/MS analysis
50017015	2	ChEMBL_2228974 (CHEMBL5142487)	Inhibition of UGT1A1 in human liver microsomes using beta-estradiol as substrate incubated for 40 mins by LC-MS/MS analysis
50017015	3	ChEMBL_2229019 (CHEMBL5142532)	Inhibition of human ERG by patch-clamp assay
50017017	1	ChEMBL_2229021 (CHEMBL5142534)	Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha incubated for 1 hr by time-gated luminescence intensity based displacement assay
50017017	2	ChEMBL_2229022 (CHEMBL5142535)	Displacement of ARC-1063 fluorescent probe from recombinant human PKAC-alpha assessed as dissociation equilibrium constant preincubated for 1 hr followed by photoluminescent probe addition by time-gated luminescence intensity based assay
50017017	3	ChEMBL_2229030 (CHEMBL5142543)	Inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha incubated for 22 hrs by time-gated luminescence intensity based displacement assay
50017017	4	ChEMBL_2229031 (CHEMBL5142544)	Irreversible inhibition of ARC-1063 fluorescent probe binding to recombinant human PKAC-alpha incubated for 22 hrs followed by probe addition at 20 nM and further incubated for 1 hr by time-gated luminescence intensity based displacement assay
50017017	5	ChEMBL_2229035 (CHEMBL5142548)	Covalent inhibition of human recombinant PKAC-alpha assessed as inhibition constant
50017019	1	ChEMBL_2229084 (CHEMBL5142597)	Inhibition of horse serum BChE using acetylthiocholine iodide or butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017019	2	ChEMBL_2229085 (CHEMBL5142598)	Inhibition of human BChE using acetylthiocholine iodide or butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017019	3	ChEMBL_2229104 (CHEMBL5142617)	Inhibition of human BChE assessed as inhibition constant
50017019	4	ChEMBL_2229105 (CHEMBL5142618)	Binding affinity to human BChE assessed as dissociation constant by surface plasmon resonance assay
50017020	1	ChEMBL_2229200 (CHEMBL5142713)	Inhibition of full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 1.5 hrs by FRET assay
50017020	2	ChEMBL_2229201 (CHEMBL5142714)	Inhibition of full length C terminal His-tagged Human coronavirus 229E 3CLpro expressed in Escherichia coli Rosetta (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 1.5 hrs by FRET assay
50017024	1	ChEMBL_2229210 (CHEMBL5142723)	Inhibition of hERG
50017024	2	ChEMBL_2229240 (CHEMBL5142753)	Inhibition of CYP3A4 (unknown origin)
50017024	3	ChEMBL_2229241 (CHEMBL5142754)	Inhibition of CYP1A2 (unknown origin)
50017024	4	ChEMBL_2229242 (CHEMBL5142755)	Inhibition of CYP2D6 (unknown origin)
50017024	5	ChEMBL_2229243 (CHEMBL5142756)	Inhibition of CYP2C9 (unknown origin)
50017024	6	ChEMBL_2229244 (CHEMBL5142757)	Inhibition of CYP2C19 (unknown origin)
50017024	7	ChEMBL_2229245 (CHEMBL5142758)	Inhibition of CYP2C8 (unknown origin)
50017024	8	ChEMBL_2229247 (CHEMBL5142760)	Inhibition of hERG potassium channel expressed in HEK293 cells
50017025	1	ChEMBL_2229342 (CHEMBL5142855)	Inhibition of human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation incubated for 10 mins by FLIPR-tetra assay
50017026	1	ChEMBL_2229343 (CHEMBL5142856)	Inhibition of purified human plasma kallikrein using Acetyl-K- P-R-AFC as substrate by fluorescence based spectrofluorimetric analysis
50017032	1	ChEMBL_2229344 (CHEMBL5142857)	Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculovirus infected insect cells using KKARFSRFAGSSPSQSSMVAR as substrate preincubated for 15 mins followed by substrate addition and measured after 2 hrs by LC-MS/MS analysis
50017034	1	ChEMBL_2229346 (CHEMBL5142859)	Modulation of human RXFP1 stably expressed in T-REx-CHO-K1 cells assessed as stimulation of cAMP production measured after 45 mins by d2-dye labelled cAMP based HTRF assay
50017035	1	ChEMBL_2229347 (CHEMBL5142860)	Inhibition of PI3Kdelta in human JeKo-1 cells assessed as reduction in AKT autophosphorylation at Thr308 residue
50017035	2	ChEMBL_2229348 (CHEMBL5142861)	Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr followed by 8 Gy irradiation and measured after 1 hr by ELISA
50017035	3	ChEMBL_2229349 (CHEMBL5142862)	Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKK peptide as substrate preincubated with compound for 30 mins followed by substrate addition and further incubated for 40 mins in presence of ATP by TR-FRET assay
50017035	4	ChEMBL_2229351 (CHEMBL5142864)	Inhibition of hERG expressed in CHO cells by electrophysiological assay based automated patch clamp method
50017035	5	ChEMBL_2229376 (CHEMBL5142889)	Inhibition of ATM in human HT-29 cells assessed as reduction in ATM autophosphorylation at S1981 residue
50017035	6	ChEMBL_2229377 (CHEMBL5142890)	Inhibition of ATR in human HT-29 cells assessed as reduction in CHK1 autophosphorylation at S345 residue
50017035	7	ChEMBL_2229379 (CHEMBL5142892)	Inhibition of PI3Kalpha in human BT-474 cells assessed as reduction in AKT autophosphorylation at T308 residue
50017035	8	ChEMBL_2229380 (CHEMBL5142893)	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT autophosphorylation at T308 residue
50017035	9	ChEMBL_2229381 (CHEMBL5142894)	Inhibition of PI3Kgamma in mouse RAW 264 cells assessed as reduction in AKT autophosphorylation at Thr308 residue
50017036	1	ChEMBL_2229478 (CHEMBL5142991)	Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) assessed as inhibition constant incubated for 90 mins by MicroBeta scintillation counting method
50017036	2	ChEMBL_2229479 (CHEMBL5142992)	Displacement of [3H]LSD from 5-HT2B receptor (unknown origin) assessed as inhibition constant incubated for 90 mins by MicroBeta scintillation counting method
50017036	3	ChEMBL_2229480 (CHEMBL5142993)	Displacement of [3H]Mesulergine from 5-HT2C receptor (unknown origin) assessed as inhibition constant incubated for 90 mins by MicroBeta scintillation counting method
50017036	4	ChEMBL_2229484 (CHEMBL5142997)	Antagonist activity at 5-HT2A receptor (unknown origin) incubated for 60 mins followed by 10 mins incubation in dark at room temperature by FLIPR method
50017036	5	ChEMBL_2229485 (CHEMBL5142998)	Antagonist activity at 5-HT2B receptor (unknown origin) incubated for 60 mins followed by 10 mins incubation in dark at room temperature by FLIPR method
50017036	6	ChEMBL_2229486 (CHEMBL5142999)	Antagonist activity at 5-HT2C receptor (unknown origin) incubated for 60 mins followed by 10 mins incubation in dark at room temperature by FLIPR method
50017038	1	ChEMBL_2229490 (CHEMBL5143003)	Inhibition of ROCK1 (unknown origin) using biotin as substrate incubated for 1 hr by HTRF assay
50017038	2	ChEMBL_2229491 (CHEMBL5143004)	Inhibition of ROCK2 (unknown origin) using biotin as substrate incubated for 1 hr by HTRF assay
50017039	1	ChEMBL_2229524 (CHEMBL5143037)	Inhibition of recombinant full length N-terminal GST -tagged human MST1 expressed in baculovirus infected Sf9 insect cells using KKSRGDYMTMQIG as substrate incubated for 1 hr in presence of ATP by ADP-Glo luminescent assay
50017039	2	ChEMBL_2229525 (CHEMBL5143038)	Inhibition of recombinant full length N-terminal GST -tagged human MST2 expressed in baculovirus infected Sf9 insect cells using KKSRGDYMTMQIG as substrate incubated for 1 hr in presence of ATP by ADP-Glo luminescent assay
50017039	3	ChEMBL_2229526 (CHEMBL5143039)	Inhibition of recombinant full length N-terminal GST -tagged human NEK3 expressed in baculovirus expression system using S2 as substrate incubated for 2 hrs by HTRF assay
50017039	4	ChEMBL_2229530 (CHEMBL5143043)	Binding affinity to wild-type human full length MST1 (M1 to F487 residues) expressed in bacterial expression system by Kinomescan method
50017039	5	ChEMBL_2229531 (CHEMBL5143044)	Binding affinity to wild-type human partial length MST2 (D17 to E318 residues) expressed in bacterial expression system by Kinomescan method
50017040	1	ChEMBL_2229657 (CHEMBL5143170)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50017044	1	ChEMBL_2229674 (CHEMBL5143187)	Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated with enzyme for 30 mins followed by substrate addition by Ellman's method
50017044	2	ChEMBL_2229675 (CHEMBL5143188)	Inhibition of horse BuChE using butyrylthiocholine as substrate preincubated with enzyme for 30 mins followed by substrate addition by Ellman's method
50017045	1	ChEMBL_2229685 (CHEMBL5143198)	Inhibition of recombinant SARS-COV2 main protease expressed in Escherichia coli Rosetta cells using DABCYL-KTSAVLQSGFRKME-EDANS as substrate pre-incubated for 60 mins followed by substarte addition by FRET-based assay
50017045	2	ChEMBL_2229688 (CHEMBL5143201)	Inhibition of recombinant SARS-COV2 main protease expressed in Escherichia coli Rosetta cells using DABCYL-KTSAVLQSGFRKME-EDANS as substrate pre-incubated for 60 mins followed by substarte addition measured at 30 min in presence of GSH by FRET-based assay
50017046	1	ChEMBL_2229997 (CHEMBL5143769)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50017046	2	ChEMBL_2229998 (CHEMBL5143770)	Inhibition of wild type EGFR (unknown origin)
50017046	3	ChEMBL_2229999 (CHEMBL5143771)	Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin)
50017046	4	ChEMBL_2230001 (CHEMBL5143773)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in mouse BaF3 cells
50017046	5	ChEMBL_2230004 (CHEMBL5143776)	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50017046	6	ChEMBL_2230005 (CHEMBL5143777)	Inhibition of EGFR L858R mutant (unknown origin)
50017046	7	ChEMBL_2230009 (CHEMBL5143781)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) in human NCI-H1975 cell
50017046	8	ChEMBL_2230010 (CHEMBL5143782)	Inhibition of EGFR L858R/T790M double mutant (unknown origin) in human NCI-H1975 cell
50017046	9	ChEMBL_2230011 (CHEMBL5143783)	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) by HTRF method
50017047	1	ChEMBL_2230023 (CHEMBL5143795)	Binding affinity to HIV1 capsid protein monomer assessed as dissociation constant by SPR analysis
50017047	2	ChEMBL_2230024 (CHEMBL5143796)	Binding affinity to HIV1 capsid protein hexamer assessed as dissociation constant by SPR analysis
50017047	3	ChEMBL_2230035 (CHEMBL5143807)	Displacement of CPSF6 peptide from HIV1 capsid protein by surface plasmon resonance-based competition assay
50017047	4	ChEMBL_2230036 (CHEMBL5143808)	Displacement of NUP153 peptide from HIV1 capsid protein by surface plasmon resonance-based competition assay
50017048	1	ChEMBL_2230041 (CHEMBL5143813)	Inhibition of N-terminal GST fused HER2 (679 to 1255 residues) (unknown origin) using poly (Glu-Tyr) E4Y1 peptide as substrate measured after 4 hrs by ADP-Glo reagent method
50017048	2	ChEMBL_2230042 (CHEMBL5143814)	Inhibition of N-terminal GST fused EGFR (668 to 1091 residues) (unknown origin) using poly (Glu-Tyr) E4Y1 peptide as substrate incubated for 2 hrs by ADP-Glo reagent method
50017050	1	ChEMBL_2230265 (CHEMBL5144037)	Inhibition of SMYD2 (unknown origin) using 3H-SAM as substrate incubated for 1 hr by filter binding method
50017050	2	ChEMBL_2230297 (CHEMBL5144069)	Inhibition of GSK3beta (unknown origin)
50017051	1	ChEMBL_2230325 (CHEMBL5144097)	Binding affinity to full length FLAG/HA/Strep-tagged TLK2 (388 to 772 residues) (unknown origin) transfected in HEK293T cells by Alexa Fluor 647 staining based FRET assay
50017052	1	ChEMBL_2230344 (CHEMBL5144116)	Inhibition of human TDO2 expressed in Escherichia coli BL21-DE3 rosetta cells at pH 6.5 potassium phosphate buffer using L-tryptophan as substrate measured after 15 mins
50017052	2	ChEMBL_2230345 (CHEMBL5144117)	Inhibition of human TDO2 expressed in mouse P815B cells using L-tryptophan as substrate incubated for 7 hrs by UPLC analysis
50017052	3	ChEMBL_2230346 (CHEMBL5144118)	Inhibition of human IDO1 in potassium phosphate buffer at pH 6.5 using L-tryptophan as substrate incubated for 8 mins
50017052	4	ChEMBL_2230347 (CHEMBL5144119)	Inhibition of human IDO1 expressed in mouse P815B cells using L-tryptophan as substrate incubated for 24 hrs by UPLC analysis
50017052	5	ChEMBL_2230377 (CHEMBL5144149)	Inhibition of recombinant human IDO1 expressed in Escherichia coli assessed as reduction in formation of N-formylkynurenine by measuring apparent inhibition constant using L-tryptophan as substrate preincubated with compound for 5 mins followed substrate addition by ascorbate/methylene blue assay
50017053	1	ChEMBL_2230462 (CHEMBL5144234)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate incubated for 15 mins followed by substrate addition by spectrophotometric analysis
50017055	1	ChEMBL_2230467 (CHEMBL5144239)	Inhibition of recombinant human SENP1 catalytic domain using RanGAP1 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by Western blot analysis
50017056	1	ChEMBL_2230477 (CHEMBL5144249)	Inhibition of recombinant His-tagged Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL21 (DE3) using TS2 and NADPH as substrate by DTNB-reagent based spectrophotometric method
50017056	2	ChEMBL_2230482 (CHEMBL5144254)	Non competitive type inhibition of recombinant His-tagged Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using NADPH and varying concentration of TS2 as substrate by double reciprocal Lineweaver-Burk plot analysis
50017057	1	ChEMBL_2230486 (CHEMBL5144258)	Inhibition of Mycobacterium tuberculosis wild type DprE1 expressed in Escherichia coli BL21 DE3 assessed as formation of resorufin using FPR as substrate incubated for 10 mins by Amplex Red dye microplate assay
50017058	1	ChEMBL_2230518 (CHEMBL5144290)	Inhibition of Influenza A virus N-terminal domain of PA endonuclease using 6FAM-TGGCAATATCAGCTCCACA-MGBNFQ as fluorescent substrate by FRET analysis
50017059	1	ChEMBL_2230520 (CHEMBL5144292)	Inhibition of recombinant full length human PLK1 using casein as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation counting method
50017059	2	ChEMBL_2230521 (CHEMBL5144293)	Inhibition of BRD4 (unknown origin) by alpha-screen assay
50017060	1	ChEMBL_2230588 (CHEMBL5144360)	Inhibition of human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21 (DE3) using KKISGRLSPIMTEQ as substrate incubated in presence of ATP
50017060	2	ChEMBL_2230607 (CHEMBL5144379)	Inhibition of DYRK1A in human HeLa cells transiently expressing GFP-SF3B1 fusion protein assessed as reduction in SF3B1 phosphorylation incubated for 24 hrs by immunoblot analysis
50017060	3	ChEMBL_2230608 (CHEMBL5144380)	Inhibition of alpha-syn (unknown origin) aggregation assessed as reduction in fluorescence intensity measured after 24 hrs by ThT flourescence assay
50017060	4	ChEMBL_2230615 (CHEMBL5144387)	Inhibition of human Dyrk1A
50017060	5	ChEMBL_2230616 (CHEMBL5144388)	Inhibition of Dyrk1B (unknown origin)
50017060	6	ChEMBL_2230617 (CHEMBL5144389)	Inhibition of Dyrk2 (unknown origin)
50017061	1	ChEMBL_2230639 (CHEMBL5144411)	Inhibition of SE in Candida albicans ATCC SC5314 incubated for 30 mins using squalene as substrate in presence of NADPH by spectrophotometer analysis
50017061	2	ChEMBL_2230640 (CHEMBL5144412)	Inhibition of CYP51 in Candida albicans ATCC SC5314 incubated for 30 mins using eburicol as substrate in presence of NADPH by HPLC analysis
50017063	1	ChEMBL_2230678 (CHEMBL5144450)	Inhibition of recombinant human carbonic anhydrase 1 assessed as inhibition constant preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50017063	2	ChEMBL_2230679 (CHEMBL5144451)	Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition constant preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50017063	3	ChEMBL_2230680 (CHEMBL5144452)	Inhibition of recombinant human carbonic anhydrase 7 assessed as inhibition constant preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50017063	4	ChEMBL_2230681 (CHEMBL5144453)	Inhibition of recombinant human carbonic anhydrase 9 assessed as inhibition constant preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50017063	5	ChEMBL_2230682 (CHEMBL5144454)	Inhibition of recombinant human carbonic anhydrase 12 assessed as inhibition constant preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay
50017066	1	ChEMBL_2230748 (CHEMBL5144520)	Inhibition of CYP2C19 (unknown origin)
50017066	2	ChEMBL_2230750 (CHEMBL5144522)	Inhibition of human MALT1 assessed as cleavage of substrate using fluorescent labeled Ac-LRSR-Rh110 peptide as substrate incubated for 30 mins followed by substrate addition and measured after 3 to 4 hrs by FRET assay
50017066	3	ChEMBL_2230754 (CHEMBL5144526)	Inhibition of human MALT1 in human MCF7 cells assessed as MALT1 mediated cleavage of human A20 in cytosol by fluorescence microscopy
50017066	4	ChEMBL_2230755 (CHEMBL5144527)	Inhibition of human ERG
50017066	5	ChEMBL_2230756 (CHEMBL5144528)	Inhibition of CYP1A2 (unknown origin)
50017066	6	ChEMBL_2230757 (CHEMBL5144529)	Inhibition of CYP2C9 (unknown origin)
50017066	7	ChEMBL_2230758 (CHEMBL5144530)	Inhibition of CYP2D6 (unknown origin)
50017066	8	ChEMBL_2230759 (CHEMBL5144531)	Inhibition of CYP3A4 (unknown origin)
50017067	1	ChEMBL_2230780 (CHEMBL5144552)	Inhibition of human HSP90
50017067	2	ChEMBL_2230782 (CHEMBL5144554)	Inhibition of human HDAC
50017068	1	ChEMBL_2230793 (CHEMBL5144565)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50017068	2	ChEMBL_2230794 (CHEMBL5144566)	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50017068	3	ChEMBL_2230796 (CHEMBL5144568)	Mixed type inhibition of equine serum BuChE assessed as inhibition constant using varying level of butyrylthiocholine iodide as substrate by Lineweaver-Burk plot double reciprocal analysis
50017069	1	ChEMBL_2230827 (CHEMBL5144599)	Anti-androgenic activity at androgen receptor (unknown origin) expressed in HEK293 cells by BRET assay
50017069	2	ChEMBL_2230828 (CHEMBL5144600)	Inhibition of purified human HDAC1 using Ac-Leu-Gly-(e-Ac)Lys-AMC by fluorometric HDAC assay
50017069	3	ChEMBL_2230833 (CHEMBL5144605)	Inhibition of purified human HDAC1 using Ac-Leu-Gly-(e-Ac)Lys-AMC pre-incubated for 18 hrs by fluorometric HDAC assay
50017070	1	ChEMBL_2230849 (CHEMBL5144621)	Inhibition of human recombinant GSK-3 beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 60 mins in presence of ATP by luminescence based analysis
50017071	1	ChEMBL_2230851 (CHEMBL5144623)	Inhibition of human SGLT2 expressed in CHO cells by methyl-alpha-D-glucopyranoside assay
50017071	2	ChEMBL_2230852 (CHEMBL5144624)	Inhibition of human SGLT1 expressed in CHO cells by methyl-alpha-D-glucopyranoside assay
50017072	1	ChEMBL_2230869 (CHEMBL5144641)	Inhibition of 20S constitutive proteosome beta1c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Glu-AMC as fluorogenic substrate at 100 uM
50017072	2	ChEMBL_2230870 (CHEMBL5144642)	Inhibition of 20S constitutive proteosome beta2c subunit (unknown origin) assessed as substrate hydrolysis using Boc-Leu-Arg-Arg-AMC as fluorogenic substrate at 100 uM
50017072	3	ChEMBL_2230871 (CHEMBL5144643)	Inhibition of 20S constitutive proteosome beta5c subunit (unknown origin) assessed as substrate hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as fluorogenic substrate at 100 uM
50017072	4	ChEMBL_2230872 (CHEMBL5144644)	Inhibition of 20S immuno proteosome beta1i subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Glu-AMC as fluorogenic substrate at 100 uM
50017072	5	ChEMBL_2230873 (CHEMBL5144645)	Inhibition of 20S immuno proteosome beta2i subunit (unknown origin) assessed as substrate hydrolysis using Boc-Leu-Arg-Arg-AMC as fluorogenic substrate at 100 uM
50017072	6	ChEMBL_2230875 (CHEMBL5144647)	Inhibition of 20S constitutive proteosome beta1c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrate
50017072	7	ChEMBL_2230876 (CHEMBL5144648)	Inhibition of 20S constitutive proteosome beta2c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrate
50017072	8	ChEMBL_2230877 (CHEMBL5144649)	Inhibition of 20S constitutive proteosome beta5c subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrate
50017072	9	ChEMBL_2230878 (CHEMBL5144650)	Inhibition of 20S immuno proteosome beta1i subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrate
50017072	10	ChEMBL_2230879 (CHEMBL5144651)	Inhibition of 20S immuno proteosome beta2i subunit (unknown origin) assessed as substrate hydrolysis using Z-Leu-Leu-Leu-al as substrate
50017072	11	ChEMBL_2230882 (CHEMBL5144654)	Inhibition of chymotrypsin-like activity of human 20s immuno proteasome beta5i subunit assessed as substrate hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as flurogenic substrate at 0.004 mg/ml measured for 10 mins by fluorescence assay
50017072	12	ChEMBL_2230883 (CHEMBL5144655)	Inhibition of chymotrypsin-like activity of human 20s immuno proteasome beta1i subunit assessed as substrate hydrolysis using Ac-Pro-Ala-Leu-AMC as flurogenic substrate at 0.004 mg/ml measured for 10 mins by fluorescence assay
50017072	13	ChEMBL_2230885 (CHEMBL5144657)	Inhibition of human spleen 20S immuno proteosome beta1i subunit assessed as substrate hydrolysis using Ac-Pro-Ala-Leu-AMC as fluorogenic substrate by fluorescence based assay
50017074	1	ChEMBL_2230943 (CHEMBL5144715)	Inhibition of recombinant human HDAC1 expressed in baculovirus infection system using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50017074	2	ChEMBL_2230944 (CHEMBL5144716)	Inhibition of recombinant HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay
50017074	3	ChEMBL_2230945 (CHEMBL5144717)	Inhibition of GLP (unknown origin)
50017075	1	ChEMBL_2231027 (CHEMBL5144799)	Inhibition of human ERG expressed in HEK293 cells by whole cell electrophysiology assay
50017077	1	ChEMBL_2231068 (CHEMBL5144840)	Inhibition of HIV1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation
50017078	1	ChEMBL_2231079 (CHEMBL5144851)	Inhibition of urea-induced Transthyretin denaturation in human plasma preincubated for 1 hr followed by urea addition by Western blot analysis
50017079	1	ChEMBL_2231098 (CHEMBL5144870)	Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes measured after 2 hrs by microbeta scintillation counting method
50017079	2	ChEMBL_2231099 (CHEMBL5144871)	Displacement of [3H]-DPDPE from recombinant human DOR expressed in CHO cell membranes measured after 2 hrs by microbeta scintillation counting method
50017079	3	ChEMBL_2231100 (CHEMBL5144872)	Displacement of [3H]-U-69593 from recombinant human KOR expressed in CHO cell membranes measured after 2 hrs by microbeta scintillation counting method
50017079	4	ChEMBL_2231103 (CHEMBL5144875)	Agonist activity at human mu opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 2 hrs by scintillation counting method
50017079	5	ChEMBL_2231105 (CHEMBL5144877)	Agonist activity at human delta opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 2 hrs by scintillation counting method
50017079	6	ChEMBL_2231107 (CHEMBL5144879)	Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 2 hrs by scintillation counting method
50017080	1	ChEMBL_2231110 (CHEMBL5144882)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometric assay
50017080	2	ChEMBL_2231111 (CHEMBL5144883)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by fluorescence spectrophotometric assay
50017080	3	ChEMBL_2231115 (CHEMBL5144887)	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50017080	4	ChEMBL_2231116 (CHEMBL5144888)	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis
50017082	1	ChEMBL_2231144 (CHEMBL5144916)	Inhibition of N-terminal His6-tagged full length recombinant human PIP5K1gamma by microfluidic mobility shift assay
50017082	2	ChEMBL_2231145 (CHEMBL5144917)	Inhibition of PIP5Kalpha (unknown origin)
50017082	3	ChEMBL_2231146 (CHEMBL5144918)	Inhibition of PIP5Kbeta (unknown origin)
50017082	4	ChEMBL_2231147 (CHEMBL5144919)	Inhibition of PIP5Kgamma (unknown origin)
50017082	5	ChEMBL_2231148 (CHEMBL5144920)	Inhibition of PI3Kalpha (unknown origin)
50017082	6	ChEMBL_2231153 (CHEMBL5144925)	Inhibition of PI3Kbeta (unknown origin)
50017082	7	ChEMBL_2231154 (CHEMBL5144926)	Inhibition of PI3Kgamma (unknown origin)
50017082	8	ChEMBL_2231155 (CHEMBL5144927)	Inhibition of PI3Kdelta (unknown origin)
50017082	9	ChEMBL_2231156 (CHEMBL5144928)	Inhibition of PI4Kalpha (unknown origin)
50017082	10	ChEMBL_2231157 (CHEMBL5144929)	Inhibition of PI4Kbeta (unknown origin)
50017082	11	ChEMBL_2231158 (CHEMBL5144930)	Inhibition of PDGFRbeta (unknown origin)
50017082	12	ChEMBL_2231160 (CHEMBL5144932)	Inhibition of PDK1 in human BT-474 cells assessed as reduction in AKT phosphorylation at T308 residue incubated for 2 hrs
50017083	1	ChEMBL_2231326 (CHEMBL5145098)	Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured every 30 secs for 10 mins by fluorescence based analysis
50017083	2	ChEMBL_2231328 (CHEMBL5145100)	Inhibition of SARS-CoV-2 RdRp
50017084	1	ChEMBL_2231331 (CHEMBL5145103)	Inhibition of TRKB (unknown origin) incubated for 40 mins in presence of ATP by HTRF assay
50017084	2	ChEMBL_2231337 (CHEMBL5145109)	Inhibition of TRKA (unknown origin) incubated for 30 mins in presence of ATP by HTRF assay
50017084	3	ChEMBL_2231338 (CHEMBL5145110)	Inhibition of TRKC (unknown origin) incubated for 40 mins in presence of ATP by HTRF assay
50017084	4	ChEMBL_2231429 (CHEMBL5145201)	Inhibition of TRKA (unknown origin) by radiometric assay
50017084	5	ChEMBL_2231430 (CHEMBL5145202)	Inhibition of TRKB (unknown origin) by radiometric assay
50017084	6	ChEMBL_2231431 (CHEMBL5145203)	Inhibition of TRKC (unknown origin) by radiometric assay
50017084	7	ChEMBL_2231432 (CHEMBL5145204)	Inhibition of ROS1 (unknown origin) by radiometric assay
50017084	8	ChEMBL_2231433 (CHEMBL5145205)	Inhibition of ALK (unknown origin) by radiometric assay
50017088	1	ChEMBL_2231450 (CHEMBL5145222)	Agonist activity at human GPR38 expressed in COS-7 cells
50017097	1	ChEMBL_2231614 (CHEMBL5145386)	Agonist activity at TLR7 in human HEK-SEAP reporter cell assessed as NF-kappaB activation
50017097	2	ChEMBL_2231615 (CHEMBL5145387)	Agonist activity at TLR8 in human HEK-SEAP reporter cell assessed as NF-kappaB activation
50017097	3	ChEMBL_2231616 (CHEMBL5145388)	Antagonist activity at TLR7 in human HEK-SEAP reporter cell assessed as inhibition of methyl 4-amino-1-(4-(aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c]quinoline-7-carboxylate-induced NF-kappaB activation
50017097	4	ChEMBL_2231617 (CHEMBL5145389)	Antagonist activity at TLR8 in human HEK-SEAP reporter cell assessed as inhibition of methyl 4-amino-1-(4-(aminomethyl)benzyl)-2-butyl-1H-imidazo[4,5-c]quinoline-7-carboxylate-induced NF-kappaB activation
50017098	1	ChEMBL_2231621 (CHEMBL5145393)	Positive allosteric modulator activity at GluA2-AMPA receptor (unknown origin) by FLIPR assay
50017098	2	ChEMBL_2231622 (CHEMBL5145394)	Displacement of [3H]-HBT1 from GluA2-AMPA receptor (unknown origin) in presence of glutamate by scintillation proximity assay
50017098	3	ChEMBL_2231624 (CHEMBL5145396)	Positive allosteric modulator activity at GluN1a/GluN2C (unknown origin) expressed in CHO cells in presence of glutamate by Ca2+ influx assay
50017098	4	ChEMBL_2231626 (CHEMBL5145398)	Positive allosteric modulator activity at GluN2A receptor (unknown origin) by FLIPR assay
50017098	5	ChEMBL_2231629 (CHEMBL5145401)	Positive allosteric modulator activity at GluN1a/GluN2A (unknown origin) expressed in CHO cells in presence of glutamate by Ca2+ influx assay
50017098	6	ChEMBL_2231632 (CHEMBL5145404)	Displacement of [3H]-HBT1 from His-tagged GluA2-AMPA (unknown origin) receptor expressed in CHO cells in presence of glutamate by scintillation proximity assay
50017098	7	ChEMBL_2231647 (CHEMBL5145419)	Positive allosteric modulator activity at GluN1a/GluN2D (unknown origin) expressed in CHO cells in presence of glutamate by Ca2+ influx assay
50017099	1	ChEMBL_2231668 (CHEMBL5145440)	Inhibition of xanthine oxidase (unknown origin) measured by spectrophotometric analysis
50017101	1	ChEMBL_2231672 (CHEMBL5145444)	Allosteric inhibition of wild-type human SHP2 (1 to 535 residues) using DiFMUP and 2p-IRS1 peptide as substrates preincubated for 1 hr and followed by substrate addition and measured by microplate reader method
50017101	2	ChEMBL_2231673 (CHEMBL5145445)	Allosteric inhibition of recombinant human SHP2 PTP domain (237 to 535 residues) using DiFMUP as substrate preincubated for 30 mins and followed by substrate addition and measured by microplate reader method
50017101	3	ChEMBL_2231675 (CHEMBL5145447)	Reversible inhibition of wild-type human SHP2 using DiFMUP as substrate and measured by jump dilution assay
50017101	4	ChEMBL_2231676 (CHEMBL5145448)	Inhibition of wild-type SHP1 (2 to 595 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assay
50017101	5	ChEMBL_2231677 (CHEMBL5145449)	Inhibition of wild-type PTP1B (2 to 435 residues) (unknown origin) using DiFMUP as substrate and measured by biochemical assay
50017102	1	ChEMBL_2231698 (CHEMBL5145470)	Inhibition of rat cortex AChE using acetylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method
50017102	2	ChEMBL_2231699 (CHEMBL5145471)	Inhibition of rat serum Butyrylcholine esterase using butyrylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method
50017102	3	ChEMBL_2231701 (CHEMBL5145473)	Inhibition of human erythrocyte AChE using acetylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method
50017102	4	ChEMBL_2231702 (CHEMBL5145474)	Inhibition of human serum BuChE using butyrylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method
50017105	1	ChEMBL_2231815 (CHEMBL5145587)	Inhibition of Alpha-glucosidase (unknown origin)
50017109	1	ChEMBL_2231858 (CHEMBL5145630)	Inhibition of BTK (unknown origin) by lanthascreen Tb kinase activity assay
50017109	2	ChEMBL_2231859 (CHEMBL5145631)	Inhibition of ITK (unknown origin) by lanthascreen Tb kinase activity assay
50017109	3	ChEMBL_2231860 (CHEMBL5145632)	Inhibition of TEC (unknown origin) by lanthascreen Tb kinase activity assay
50017109	4	ChEMBL_2231861 (CHEMBL5145633)	Inhibition of EGFR (unknown origin) by lanthascreen Tb kinase activity assay
50017110	1	ChEMBL_2231866 (CHEMBL5145638)	Inhibition of TRPC5 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of EA-evoked Ca2+ entry by measuring reduction in intracellular Ca2+ level by Fluo-4 dye based FLIPR assay
50017110	2	ChEMBL_2231868 (CHEMBL5145640)	Inhibition of TRPC4 channel (unknown origin) expressed in HEK293 cells assessed as inhibition of EA-evoked Ca2+ entry by measuring reduction in intracellular Ca2+ level by Fluo-4 dye based FLIPR assay
50017110	3	ChEMBL_2231871 (CHEMBL5145643)	Inhibition of human TRPC5 channel expressed in HEK293 cells assessed as inhibition of EA-evoked channel current measured at +80 mV by whole-cell voltage clamp assay
50017111	1	ChEMBL_2231875 (CHEMBL5145647)	Inhibition of AURKA (unknown origin)
50017111	2	ChEMBL_2231876 (CHEMBL5145648)	Inhibition of AURKB (unknown origin)
50017111	3	ChEMBL_2231877 (CHEMBL5145649)	Inhibition of LIMK1 (unknown origin)
50017117	1	ChEMBL_2231888 (CHEMBL5145660)	Displacement of [3H]N-methylspiperone from human D4 receptor expressed in HEK293 cell membrane by competitive inhibition based analysis
50017117	2	ChEMBL_2231890 (CHEMBL5145662)	Displacement of [3H]-SCH23390 from human D1 receptor expressed in HEK293 cell membrane by competitive inhibition based analysis
50017117	3	ChEMBL_2231894 (CHEMBL5145666)	Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membrane by competitive inhibition based analysis
50017117	4	ChEMBL_2231896 (CHEMBL5145668)	Displacement of [3H]-SCH23390 from human D5 receptor expressed in HEK293 cell membrane by competitive inhibition based analysis
50017119	1	ChEMBL_2231910 (CHEMBL5145682)	Agonist activity at GHS-R1a (unknown origin)
50017119	2	ChEMBL_2231912 (CHEMBL5145684)	Binding affinity at GHS-R1a (unknown origin) assessed as inhibition constant
50017119	3	ChEMBL_2231915 (CHEMBL5145687)	Inverse agonist activity at GHS-R1a (unknown origin)
50017119	4	ChEMBL_2231916 (CHEMBL5145688)	Partial agonist activity at GHS-R1a (unknown origin)
50017120	1	ChEMBL_2231968 (CHEMBL5145740)	Binding affinity to KRAS (unknown origin) assessed as inhibition constant
50017120	2	ChEMBL_2231971 (CHEMBL5145743)	Binding affinity to wild type KRAS (unknown origin) assessed as dissociation constant
50017120	3	ChEMBL_2231977 (CHEMBL5145749)	Binding affinity to KRAS (unknown origin) assessed as dissociation constant
50017121	1	ChEMBL_2232036 (CHEMBL5145808)	Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-3GalbetapNP as substrate incubated for 30 mins
50017121	2	ChEMBL_2232037 (CHEMBL5145809)	Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-6GalbetapNP as substrate incubated for 30 mins
50017121	3	ChEMBL_2232038 (CHEMBL5145810)	Inhibition of human NEU1
50017121	4	ChEMBL_2232039 (CHEMBL5145811)	Inhibition of human NEU2
50017121	5	ChEMBL_2232040 (CHEMBL5145812)	Inhibition of human NEU3
50017121	6	ChEMBL_2232041 (CHEMBL5145813)	Inhibition of human NEU4
50017121	7	ChEMBL_2232042 (CHEMBL5145814)	Inhibition of NEU1 in HLF
50017121	8	ChEMBL_2232043 (CHEMBL5145815)	Inhibition of NEU1 in HAEC
50017121	9	ChEMBL_2232044 (CHEMBL5145816)	Inhibition of NEU1 in HPMEC
50017121	10	ChEMBL_2232045 (CHEMBL5145817)	Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-3GalbetapNP as substrate
50017121	11	ChEMBL_2232046 (CHEMBL5145818)	Inhibition of NEU2 (unknown origin) using Neu5Acalpha2-6GalbetapNP as substrate
50017121	12	ChEMBL_2232047 (CHEMBL5145819)	Inhibition of NEU4 (unknown origin)
50017122	1	ChEMBL_2232050 (CHEMBL5145822)	Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by Microbeta plate reader method
50017122	2	ChEMBL_2232051 (CHEMBL5145823)	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cells measured after 1.5 hrs by Microbeta plate reader method
50017122	3	ChEMBL_2232052 (CHEMBL5145824)	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells measured after 1 hr by Microbeta plate reader method
50017122	4	ChEMBL_2232053 (CHEMBL5145825)	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells measured after 1 hr by Microbeta plate reader method
50017122	5	ChEMBL_2232054 (CHEMBL5145826)	Antagonist activity at 5-HT3 receptor in guinea-pig ileum assessed as inhibition of 5HT-induced contraction
50017122	6	ChEMBL_2232111 (CHEMBL5145883)	Modulation of human D2L receptor
50017124	1	ChEMBL_2232113 (CHEMBL5145885)	Inhibition of wild type SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by FRET analysis
50017124	2	ChEMBL_2232140 (CHEMBL5145912)	Inhibition of wild type SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate preincubated for 20 mins followed by substrate addition by FRET analysis
50017128	1	ChEMBL_2232151 (CHEMBL5145923)	Binding affinity at DOR (unknown origin) assessed as inhibition constant
50017128	2	ChEMBL_2232152 (CHEMBL5145924)	Binding affinity at MOR (unknown origin) assessed as inhibition constant
50017128	3	ChEMBL_2232153 (CHEMBL5145925)	Binding affinity at human NK1R assessed as inhibition constant
50017132	1	ChEMBL_2232156 (CHEMBL5145928)	Inhibition of recombinant human DGAT1 expressed in Sf9 cell membrane assessed as inhibition of triglyceride synthesis incubated for 1 hrs by LC-MS-based mass spectrophotometric analysis
50017132	2	ChEMBL_2232157 (CHEMBL5145929)	Inhibition of human DGAT1 in serum starved HEK293 cells assessed as inhibition of triglyceride synthesis incubated for 20 mins followed by 13C-addition of 13C-oleic acid pre-complexed with BSA for 120 mins by LC-MS-based mass spectrophotometric analysis
50017132	3	ChEMBL_2232164 (CHEMBL5145936)	Inhibition of human ACAT1 in HepG2 cells assessed as inhibition of triglyceride synthesis incubated for 1 hrs followed by 13C-addition of 13C-oleic acid pre-complexed with fatty acid free BSA for 6 hrs by LC/MS/MS analysis
50017134	1	ChEMBL_2232240 (CHEMBL5146012)	Inhibition of JNK3 (unknown origin) using biotinylated FL-ATF-2 as substrate incubated for 15 mins by HTRF assay
50017134	2	ChEMBL_2232241 (CHEMBL5146013)	Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate incubated for 15 mins by HTRF assay
50017134	3	ChEMBL_2232242 (CHEMBL5146014)	Inhibition of JNK1 in mouse JB6 C1 41 cell lysate incubated for 1 hr relative to control
50017134	4	ChEMBL_2232246 (CHEMBL5146018)	Inhibition of JNK1 (unknown origin)
50017134	5	ChEMBL_2232247 (CHEMBL5146019)	Inhibition of JNK3 (unknown origin)
50017134	6	ChEMBL_2232248 (CHEMBL5146020)	Inhibition of human JNK3 using ATF2 as substrate incubated for 40 mins in presence of Mg-ATP mix by scintillation counter analysis
50017134	7	ChEMBL_2232249 (CHEMBL5146021)	Inhibition of JNK2 (unknown origin)
50017134	8	ChEMBL_2232250 (CHEMBL5146022)	Inhibition of c-Jun phosphorylation in human HeLa cells
50017134	9	ChEMBL_2232251 (CHEMBL5146023)	Inhibition of c-Jun phosphorylation in human A-375 cells
50017134	10	ChEMBL_2232252 (CHEMBL5146024)	Inhibition of p38alpha (unknown origin)
50017134	11	ChEMBL_2232253 (CHEMBL5146025)	Inhibition of JNK3 (unknown origin) irradiated with 400 nm light
50017134	12	ChEMBL_2232254 (CHEMBL5146026)	Inhibition of JNK3 (unknown origin) in dark
50017134	13	ChEMBL_2232255 (CHEMBL5146027)	Inhibition of JNK1 (unknown origin) incubated for 1 hr by TR-FRET assay
50017134	14	ChEMBL_2232256 (CHEMBL5146028)	Inhibition of JNK2 (unknown origin) using GST-c-jun (1-221) as substrate by scintillation counter analysis
50017134	15	ChEMBL_2232257 (CHEMBL5146029)	Inhibition of JNK3 (unknown origin) using GST-c-jun (1-221) as substrate by scintillation counter analysis
50017134	16	ChEMBL_2232258 (CHEMBL5146030)	Inhibition of JNK1 (unknown origin) using GST-c-jun (1-221) as substrate by scintillation counter analysis
50017134	17	ChEMBL_2232259 (CHEMBL5146031)	Inhibition of LRRK2 (unknown origin)
50017137	1	ChEMBL_2232260 (CHEMBL5146032)	Inhibition of human CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay
50017137	2	ChEMBL_2232261 (CHEMBL5146033)	Inhibition of mouse CD73 assessed as reduction in inorganic phosphate release upon substrate hydrolysis using AMP/ATP as substrate incubated for 1 hr followed by substrate addition and measured after 2 hrs by malachite green reagent based colorimetric assay
50017137	3	ChEMBL_2232267 (CHEMBL5146039)	Inhibition of CD73 (unknown origin)
50017138	1	ChEMBL_2232268 (CHEMBL5146040)	Displacement of [3H]flunitrazepam from human recombinant alpha1beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay
50017138	2	ChEMBL_2232269 (CHEMBL5146041)	Displacement of [3H]flunitrazepam from human recombinant alpha2beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay
50017138	3	ChEMBL_2232270 (CHEMBL5146042)	Displacement of [3H]flunitrazepam from human recombinant alpha3beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay
50017138	4	ChEMBL_2232271 (CHEMBL5146043)	Displacement of [3H]flunitrazepam from human recombinant alpha5beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay
50017144	1	ChEMBL_2232289 (CHEMBL5146061)	Inhibition of human RIPK1 incubated for 40 min in presence of ATP by ADP-Glo luminescence kinase assay
50017145	1	ChEMBL_2232292 (CHEMBL5146064)	Inhibition of wild type TRKA (unknown origin)
50017145	2	ChEMBL_2232293 (CHEMBL5146065)	Inhibition of TRKA G595R mutant (unknown origin)
50017145	3	ChEMBL_2232294 (CHEMBL5146066)	Inhibition of ALK (unknown origin)
50017146	1	ChEMBL_2232295 (CHEMBL5146067)	Inhibition of Tag2-PD1/Tag1-PD-L1 (unknown origin) protein-protein interaction preincubated for 15 mins followed by addition of anti-Tag1-Eu3+ and anti-Tag2-XL665 and measured after 2 hrs by HTRF analysis
50017147	1	ChEMBL_2232353 (CHEMBL5146125)	Inhibition of Escherichia coli DNA gyrase supercoiling activity
50017147	2	ChEMBL_2232362 (CHEMBL5146134)	Inhibition of human ERG by Ionworks electrophysiology assay
50017147	3	ChEMBL_2232376 (CHEMBL5146148)	Inhibition of human topoisomerase 2 assessed as reduction in decatenation
50017149	1	ChEMBL_2232392 (CHEMBL5146164)	Agonist activity at human GLP-1R expressed in HEK293 cells assessed as cAMP release incubated for 20 min by HTRF analysis
50017149	2	ChEMBL_2232393 (CHEMBL5146165)	Agonist activity at human CCK1R expressed in HEK293 cells assessed as ERK1/2 phosphorylation incubated for 5 mins by AlphaScreen assay
50017149	3	ChEMBL_2232394 (CHEMBL5146166)	Agonist activity at human CCK2R expressed in HEK293 cells assessed as ERK1/2 phosphorylation incubated for 5 mins by AlphaScreen assay
50017149	4	ChEMBL_2232442 (CHEMBL5146214)	Agonist activity at human GLP-1R expressed in CHO cells assessed as cAMP release incubated for 20 min by HTRF analysis
50017151	1	ChEMBL_2232491 (CHEMBL5146263)	Displacement of tracer 236 from recombinant human CDK8 incubated for 60 mins by TR-FRET based Lanthascreen assay
50017151	2	ChEMBL_2232492 (CHEMBL5146264)	Inhibition of CDK1 (unknown origin) assessed as inhibition constant
50017151	3	ChEMBL_2232493 (CHEMBL5146265)	Inhibition of CDK2 (unknown origin) assessed as inhibition constant
50017151	4	ChEMBL_2232494 (CHEMBL5146266)	Inhibition of CDK4 (unknown origin) assessed as inhibition constant
50017151	5	ChEMBL_2232495 (CHEMBL5146267)	Inhibition of CDK3 (unknown origin) by kinase selectivity assay
50017151	6	ChEMBL_2232496 (CHEMBL5146268)	Inhibition of CDK5 (unknown origin) by kinase selectivity assay
50017151	7	ChEMBL_2232497 (CHEMBL5146269)	Inhibition of CDK6 (unknown origin) by kinase selectivity assay
50017151	8	ChEMBL_2232498 (CHEMBL5146270)	Inhibition of CDK7 (unknown origin) by kinase selectivity assay
50017151	9	ChEMBL_2232499 (CHEMBL5146271)	Inhibition of GSK-3-alpha (unknown origin) by kinase selectivity assay
50017151	10	ChEMBL_2232500 (CHEMBL5146272)	Inhibition of GSK-3-beta (unknown origin) by kinase selectivity assay
50017151	11	ChEMBL_2232501 (CHEMBL5146273)	Inhibition of CDK7 (unknown origin)
50017151	12	ChEMBL_2232502 (CHEMBL5146274)	Inhibition of CDK7 (unknown origin) by LanthaScreen Eu kinase binding assay
50017151	13	ChEMBL_2232503 (CHEMBL5146275)	Inhibition of recombinant CDK8 (unknown origin)
50017151	14	ChEMBL_2232504 (CHEMBL5146276)	Inhibition of recombinant CDK19 (unknown origin)
50017151	15	ChEMBL_2232505 (CHEMBL5146277)	Inhibition of recombinant human CDK9 using ULight MBP peptide as substrate incubated for 1 hr in presence of ATP by TR-FRET based LANCE assay
50017151	16	ChEMBL_2232506 (CHEMBL5146278)	Inhibition of CDK9 (unknown origin)
50017151	17	ChEMBL_2232507 (CHEMBL5146279)	Inhibition of recombinant CDK12 (unknown origin) by radiometric kinase assay
50017151	18	ChEMBL_2232508 (CHEMBL5146280)	Inhibition of recombinant CDK13 (unknown origin) by radiometric kinase assay
50017151	19	ChEMBL_2232509 (CHEMBL5146281)	Binding affinity to CDK12 (unknown origin) assessed as dissociation constant
50017151	20	ChEMBL_2232510 (CHEMBL5146282)	Binding affinity to CDK13 (unknown origin) assessed as dissociation constant
50017151	21	ChEMBL_2232511 (CHEMBL5146283)	Inhibition of GST-tagged human recombinant full-length CDK14 (2 to end residues) expressed in baculovirus expression system preincubated for 30 mins by Lanthascreen Eu-Kinase binding assay
50017151	22	ChEMBL_2232512 (CHEMBL5146284)	Inhibition of GST-tagged human CDK1 expressed in baculovirus expression system using histone H1 as substrate incubated for 45 mins in presence of [gamma-33P]ATP by liquid scintillation counter method
50017151	23	ChEMBL_2232513 (CHEMBL5146285)	Inhibition of GST-tagged human CDK2 expressed in baculovirus expression system using GST-RB fusion protein as substrate incubated for 45 mins in presence of [gamma-33P]ATP by liquid scintillation counter method
50017151	24	ChEMBL_2232514 (CHEMBL5146286)	Inhibition of GST-tagged human CDK4 expressed in baculovirus expression system using GST-RB fusion protein as substrate incubated for 1 hr in presence of [gamma-33P]ATP by liquid scintillation counter method
50017151	25	ChEMBL_2232515 (CHEMBL5146287)	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of 33P-ATP by liquid scintillation counter method
50017151	26	ChEMBL_2232516 (CHEMBL5146288)	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of 33P-ATP by liquid scintillation counter method
50017151	27	ChEMBL_2232517 (CHEMBL5146289)	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of 33P-ATP by liquid scintillation counter method
50017151	28	ChEMBL_2232518 (CHEMBL5146290)	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of 33P-ATP by liquid scintillation counter method
50017151	29	ChEMBL_2232519 (CHEMBL5146291)	Inhibition of CDK1 (unknown origin) using Rb-CTF peptide as substrate in presence of ATP by luciferase assay
50017151	30	ChEMBL_2232520 (CHEMBL5146292)	Inhibition of CDK2 (unknown origin) using Rb-CTF peptide as substrate in presence of ATP by luciferase assay
50017151	31	ChEMBL_2232521 (CHEMBL5146293)	Inhibition of CDK7 (unknown origin) using YSPTSPSYSPTSPSYSPTSPS peptide as substrate in presence of ATP by luciferase assay
50017151	32	ChEMBL_2232522 (CHEMBL5146294)	Inhibition of CDK9 (unknown origin) using YSPTSPSYSPTSPSYSPTSPS peptide as substrate in presence of ATP by luciferase assay
50017151	33	ChEMBL_2232523 (CHEMBL5146295)	Inhibition of CDK9 (unknown origin) by hotspot kinase assay
50017151	34	ChEMBL_2232525 (CHEMBL5146297)	Inhibition of CDK2 (unknown origin) in baculovirus infected Sf9 insect cell extract using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50017151	35	ChEMBL_2232526 (CHEMBL5146298)	Inhibition of bovine brain CDK5 using histone H1 as substrate incubated for 15 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50017151	36	ChEMBL_2232527 (CHEMBL5146299)	Inhibition of CDK2 (unknown origin)
50017151	37	ChEMBL_2232528 (CHEMBL5146300)	Inhibition of CDK1 (unknown origin)
50017151	38	ChEMBL_2232529 (CHEMBL5146301)	Inhibition of CDK4 (unknown origin)
50017151	39	ChEMBL_2232530 (CHEMBL5146302)	Inhibition of GSK-3 (unknown origin)
50017151	40	ChEMBL_2232531 (CHEMBL5146303)	Inhibition of CDK1 (unknown origin) expressed in baculovirus expression system using biotinylated peptide substrate incubated for 1 hr in presence of P33-gamma-ATP by scintillation counter method
50017151	41	ChEMBL_2232532 (CHEMBL5146304)	Inhibition of CDK3 (unknown origin)
50017151	42	ChEMBL_2232533 (CHEMBL5146305)	Inhibition of Aurora A (unknown origin) using peptide substrate
50017151	43	ChEMBL_2232534 (CHEMBL5146306)	Inhibition of Aurora B (unknown origin) using peptide substrate
50017151	44	ChEMBL_2232535 (CHEMBL5146307)	Inhibition of PI3K-alpha (unknown origin)
50017151	45	ChEMBL_2232536 (CHEMBL5146308)	Inhibition of N-terminal His-tagged human recombinant BRD4 BD1 (44 to 460 residues) expressed in Escherichia coli using acetylated-histone peptide as substrate by Alpha Screen assay
50017151	46	ChEMBL_2232537 (CHEMBL5146309)	Inhibition of N-terminal His-tagged human recombinant BRD4 BD2 (44 to 460 residues) expressed in Escherichia coli using acetylated-histone peptide as substrate by Alpha Screen assay
50017151	47	ChEMBL_2232538 (CHEMBL5146310)	Inhibition of PI3K-beta (unknown origin)
50017151	48	ChEMBL_2232539 (CHEMBL5146311)	Inhibition of CDK6 (unknown origin)
50017151	49	ChEMBL_2232544 (CHEMBL5146316)	Binding affinity to partial length human wild-type CDK12 expressed in mammalian expression system assessed as dissociation constant by DiscoverX KINOMEscan assay
50017151	50	ChEMBL_2232545 (CHEMBL5146317)	Binding affinity to partial length human wild-type CDK13 expressed in mammalian expression system assessed as dissociation constant by DiscoverX KINOMEscan assay
50017151	51	ChEMBL_2232546 (CHEMBL5146318)	Binding affinity to full-length human wild-type GSK-3-beta expressed in mammalian expression system assessed as dissociation constant by DiscoverX KINOMEscan assay
50017151	52	ChEMBL_2232547 (CHEMBL5146319)	Inhibition of NanoLuc-fused CDK8 (unknown origin) expressed in human HEK293 cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50017151	53	ChEMBL_2232548 (CHEMBL5146320)	Inhibition of recombinant CDK12 (unknown origin) expressed in baculovirus infected insect cells using Pol II CTD peptide as substrate in presence of [gamma-32P]ATP by radiometric kinase assay
50017151	54	ChEMBL_2232549 (CHEMBL5146321)	Inhibition of recombinant CDK13 (unknown origin) expressed in baculovirus infected insect cells using Pol II CTD peptide as substrate in presence of [gamma-32P]ATP by radiometric kinase assay
50017151	55	ChEMBL_2232550 (CHEMBL5146322)	Inhibition of CDK14 (unknown origin) incubated for 6 hrs by NanoBRET assay
50017151	56	ChEMBL_2232551 (CHEMBL5146323)	Binding affinity to CDK2 (unknown origin) assessed as dissociation constant by SPR analysis
50017151	57	ChEMBL_2232553 (CHEMBL5146325)	Binding affinity to human CDK2 (1 to 298 residues) expressed in Escherichia coli Tuner(DE3) assessed as dissociation constant by fluorescence spectroscopy
50017151	58	ChEMBL_2232554 (CHEMBL5146326)	Inhibition of CDK2/cyclinA (unknown origin)
50017151	59	ChEMBL_2232555 (CHEMBL5146327)	Inhibition of GST-tagged CDK2 (unknown origin) expressed in Escherichia coli in presence of Staurosporine by competitive binding assay
50017151	60	ChEMBL_2232556 (CHEMBL5146328)	Inhibition of recombinant CDK2/cyclinA (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP by radiometric kinase assay
50017151	61	ChEMBL_2232557 (CHEMBL5146329)	Inhibition of CDK2/cyclinA (unknown origin) using histone H1 as substrate in presence of ATP
50017151	62	ChEMBL_2232558 (CHEMBL5146330)	Inhibition of CDK2/cyclinA (unknown origin) using histone H1 as substrate incubated for 30 mins in presence of [gamma-32P]ATP by liquid scintillation counter method
50017151	63	ChEMBL_2232561 (CHEMBL5146333)	Inhibition of CDK7 (unknown origin) incubated for 5 to 60 mins in presence of ATP by ATP competitive assay
50017152	1	ChEMBL_2232598 (CHEMBL5146370)	Inhibition of Staphylococcus aureus sortase A using Abz/Dnp fluorescent peptide as a substrate measured after 30 mins by fluorescent based analysis
50017153	1	ChEMBL_2232617 (CHEMBL5146389)	Inhibition of human full length recombinant mTOR in presence of [gamma-33P]ATP incubated for 40 mins by radiometric scintillation counting analysis
50017153	2	ChEMBL_2232618 (CHEMBL5146390)	Inhibition of human full length recombinant mTOR/FKBP12 in presence of [gamma-33P]ATP incubated for 40 mins by radiometric scintillation counting analysis
50017153	3	ChEMBL_2232619 (CHEMBL5146391)	Inhibition of recombinant human full length PI3K p110delta/p85a using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 40 mins in presence of [gamma33P]ATP by radiometric scintillation counting analysis
50017153	4	ChEMBL_2232620 (CHEMBL5146392)	Inhibition of human PI3K-C2alpha (299 to ens residues) using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 40 mins by HTRF assay
50017153	5	ChEMBL_2232621 (CHEMBL5146393)	Inhibition of human recombinant B-Raf (416 to end residues) using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by radiometric scintillation counting analysis
50017154	1	ChEMBL_2232669 (CHEMBL5146441)	Inhibition of recombinant human HDAC1 using Boc-Lys-(acetyl)-AMC as substrate incubated for 0.5 hr and measured after 20 mins by fluorescence assay
50017154	2	ChEMBL_2232670 (CHEMBL5146442)	Inhibition of recombinant human HDAC6 using Boc-Lys-(acetyl)-AMC as substrate incubated for 0.5 hr and measured after 20 mins by fluorescence assay
50017154	3	ChEMBL_2232671 (CHEMBL5146443)	Inhibition of HDAC2 (unknown origin) using Boc-Lys-(acetyl)-AMC as substrate incubated for 0.5 hr and measured after 20 mins by fluorescence assay
50017154	4	ChEMBL_2232672 (CHEMBL5146444)	Inhibition of HDAC3 (unknown origin)
50017154	5	ChEMBL_2232673 (CHEMBL5146445)	Inhibition of HDAC8 (unknown origin) using Boc-Lys-(triflouroacetyl)-AMC as substrate incubated for 0.5 hr and measured after 20 mins by fluorescence assay
50017155	1	ChEMBL_2232715 (CHEMBL5146487)	Agonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as stimulation of ERK1/2 phosphorylation incubated for 15 mins by Alpha LISA assay
50017155	2	ChEMBL_2232716 (CHEMBL5146488)	Inhibition of PDE10A (unknown origin) preincubated for 20 mins followed by substrate addition and measured after 1 hr by PEDlight AMP detection reagent based luminescence assay
50017155	3	ChEMBL_2232721 (CHEMBL5146493)	Displacement of [3H]-8-OH-DAPT from human 5-HT1A receptor expressed in CHO-K1 cells membrane by scintillation counter analysis
50017155	4	ChEMBL_2232722 (CHEMBL5146494)	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in CHO-K1 cells membrane by scintillation counter analysis
50017155	5	ChEMBL_2232726 (CHEMBL5146498)	Agonist activity at human 5-HT1A receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP production incubated for 40 mins by TR-FRET assay
50017155	6	ChEMBL_2232732 (CHEMBL5146504)	Agonist activity at human 5-HT1A receptor expressed in U2OS cells assessed as beta-arrestin recruitment incubated for 5 hrs by Tango assay
50017155	7	ChEMBL_2232735 (CHEMBL5146507)	Binding affinity to 5HT-2A receptor (unknown origin)
50017155	8	ChEMBL_2232737 (CHEMBL5146509)	Binding affinity to dopamine D2 receptor (unknown origin)
50017155	9	ChEMBL_2232738 (CHEMBL5146510)	Binding affinity to adrenergic alpha 1 receptor (unknown origin)
50017156	1	ChEMBL_2232796 (CHEMBL5146568)	Inhibition of MMP2 (unknown origin) using Mca-PLGLDpaAR fluorescent substrate incubated for 2 hrs by microplate reader method
50017157	1	ChEMBL_2232872 (CHEMBL5146644)	Inhibition of HDAC1 (unknown origin)
50017157	2	ChEMBL_2232873 (CHEMBL5146645)	Inhibition of HDAC2 (unknown origin)
50017157	3	ChEMBL_2232874 (CHEMBL5146646)	Inhibition of HDAC3 (unknown origin)
50017157	4	ChEMBL_2232875 (CHEMBL5146647)	Inhibition of HDAC6 (unknown origin)
50017157	5	ChEMBL_2232876 (CHEMBL5146648)	Inhibition of HDAC8 (unknown origin)
50017159	1	ChEMBL_2232886 (CHEMBL5146658)	Inhibition of human PAK4 assessed as enzymatic activity incubated for 20 mins by filter binding method
50017159	2	ChEMBL_2232912 (CHEMBL5146684)	Inhibition of human PAK4 assessed as inhibition constant
50017162	1	ChEMBL_2232913 (CHEMBL5146685)	Inhibition of human recombinant cRAF measured after 1 hr by TR-FRET assay
50017162	2	ChEMBL_2232916 (CHEMBL5146688)	Inhibition of human recombinant wild-type bRAF measured after 1 hr by TR-FRET assay
50017162	3	ChEMBL_2232917 (CHEMBL5146689)	Inhibition of human recombinant bRAF V6008 mutant measured after 1 hr by TR-FRET assay
50017162	4	ChEMBL_2232920 (CHEMBL5146692)	Inhibition of CYP1A2 in human liver microsomes
50017162	5	ChEMBL_2232921 (CHEMBL5146693)	Inhibition of CYP2C9 in human liver microsomes
50017162	6	ChEMBL_2232922 (CHEMBL5146694)	Inhibition of CYP2C19 in human liver microsomes
50017162	7	ChEMBL_2232923 (CHEMBL5146695)	Inhibition of CYP2D6 in human liver microsomes
50017162	8	ChEMBL_2232924 (CHEMBL5146696)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
50017162	9	ChEMBL_2232925 (CHEMBL5146697)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50017162	10	ChEMBL_2232935 (CHEMBL5146707)	Inhibition of hERG
50017163	1	ChEMBL_2233040 (CHEMBL5146812)	Inhibition of DYRK1A (unknown origin) using HT-497 as substrate preincubated with compound followed by substrate addition and measured after 30 mins in the presence of ATP by ELISA analysis
50017167	1	ChEMBL_2233091 (CHEMBL5146863)	Inhibition of human recombinant FAAH using arachidonoyl as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assay
50017167	2	ChEMBL_2233092 (CHEMBL5146864)	Inhibition of human recombinant MAGL using 4-nitrophenyl acetate as substrate preincubated for 5 mins followed by substrate addition by fluorescence based colorimetry assay
50017167	3	ChEMBL_2233093 (CHEMBL5146865)	Inhibition of recombinant human FAAH incubated for 5 mins followed by substrate addition by cayman fluorescence based multimode microplate reader assay
50017167	4	ChEMBL_2233094 (CHEMBL5146866)	Inhibition of human recombinant MAGL incubated for 5 mins followed by substrate addition by cayman fluorescence based multimode microplate reader assay
50017167	5	ChEMBL_2233098 (CHEMBL5146870)	Non-competitive inhibition of FAAH (unknown origin) using arachidonoyl as substrate by Dixon plot analysis
50017167	6	ChEMBL_2233100 (CHEMBL5146872)	Mixed inhibition MAGL (unknown origin) using 4-nitrophenyl acetate as substrate by Dixon plot analysis
50017169	1	ChEMBL_2233172 (CHEMBL5146944)	Covalent inhibition of recombinant recombinant human GST-tagged JAK3(781 to 1124 residues) expressed in baculovirus expression system incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	2	ChEMBL_2233173 (CHEMBL5146945)	Inhibition of JAK1 (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	3	ChEMBL_2233174 (CHEMBL5146946)	Inhibition of JAK2 (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	4	ChEMBL_2233175 (CHEMBL5146947)	Inhibition of TYK2 (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	5	ChEMBL_2233176 (CHEMBL5146948)	Inhibition of BTK (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	6	ChEMBL_2233177 (CHEMBL5146949)	Inhibition of wild type EGFR (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	7	ChEMBL_2233178 (CHEMBL5146950)	Inhibition of EGFR T790M mutant (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017169	8	ChEMBL_2233197 (CHEMBL5146969)	Inhibition of JAK3 (unknown origin) incubated for 1 hr in the presence of ATP by FRET based Z'-LYTE assay
50017171	1	ChEMBL_2233251 (CHEMBL5147023)	Displacement of acetylated histone H4 peptide from His-tagged recombinant human BRD4 expressed in bacteria by AlphaScreen assay
50017171	2	ChEMBL_2233252 (CHEMBL5147024)	Displacement of biotinylated acetylated histone H4 peptide from human recombinant N-terminal GST-tagged BRD4 BD1 (49 to 170 residues) expressed in Escherichia coli expression system incubated for 30 mins by AlphaScreen assay
50017171	3	ChEMBL_2233258 (CHEMBL5147030)	Binding affinity to human BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry
50017172	1	ChEMBL_2233284 (CHEMBL5147056)	Inhibition of epimastigote form of Trypanosoma cruzi Tulahuen 2 cruzain assessed as reduction in 7-amino-4-methylcoumarin release incubated for 20 mins folllowed by Z-FR-AMC substrate addition and measured up to 45 mins by fluorometric assay
50017172	2	ChEMBL_2233285 (CHEMBL5147057)	Inhibition of recombinant Trypanosoma cruzi Tulahuen 2 cruzain incubated for 5 mins folllowed by Z-Phe-Arg-AMC substrate by fluorometric assay
50017174	1	ChEMBL_2233286 (CHEMBL5147058)	Displacement of [3H]neurotensin from human NTSR1 expressed in CHO cell membranes by radioligand depletion assay
50017174	2	ChEMBL_2233287 (CHEMBL5147059)	Displacement of [3H]NT(8-13) from human NTSR2 expressed in HEK293 cell membranes by radioligand displacement assay
50017174	3	ChEMBL_2233288 (CHEMBL5147060)	Displacement of [3H]NT(8-13) from human NTSR1 F2.65C mutant expressed in HEK293 cell membranes by radioligand displacement assay
50017176	1	ChEMBL_2233359 (CHEMBL5147131)	Displacement of [3H]epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membrane incubated for 3 hrs by scinitillation counting analysis
50017176	2	ChEMBL_2233360 (CHEMBL5147132)	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cell membrane incubated for 3 hrs by scinitillation counting analysis
50017176	3	ChEMBL_2233361 (CHEMBL5147133)	Displacement of [3H]-(-)cytisine from alpha4beta2 nAChR in rat whole brain
50017176	4	ChEMBL_2233363 (CHEMBL5147135)	Partial agonist activity at high sensitivity isoform human (alpha4)2(beta2)3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response at holding potential of -50 mV by two-electrode voltage clamp technique
50017176	5	ChEMBL_2233364 (CHEMBL5147136)	Partial agonist activity at low sensitivity isoform human (alpha4)3(beta2)2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response at holding potential of -50 mV by two-electrode voltage clamp technique
50017182	1	ChEMBL_2233368 (CHEMBL5147140)	Inhibition of human NaPi2b stably expressed in CHO-K1 cells assessed as reduction in H2[33P]O4 uptake incubated for 30 mins by liquid scintillation counting method
50017182	2	ChEMBL_2233369 (CHEMBL5147141)	Inhibition of rat NaPi2b stably expressed in CHO-K1 cells assessed as reduction in H2[33P]O4 uptake incubated for 10 mins by liquid scintillation counting method
50017190	1	ChEMBL_2233412 (CHEMBL5147184)	Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in Sf21 insect cells using kinase substrate 22 incubated for 30 mins in presence of ATP
50017195	1	ChEMBL_2233418 (CHEMBL5147190)	Inhibition of full length recombinant His6 tagged human RUVBL1 expressed in Escherichia coli Rosetta cells incubated for 70 mins in presence of ATP by ATPase assay
50017195	2	ChEMBL_2233419 (CHEMBL5147191)	Inhibition of full length recombinant His6 tagged human RUVBL2 expressed in Escherichia coli Rosetta cells incubated for 70 mins in presence of ATP by ATPase assay
50017195	3	ChEMBL_2233426 (CHEMBL5147198)	Binding affinity to RUVBL2 (unknown origin) assessed as dissociation constant by SPR assay
50017195	4	ChEMBL_2233429 (CHEMBL5147201)	Inhibition of RUVBL1 (unknown origin)
50017198	1	ChEMBL_2233431 (CHEMBL5147203)	Inhibition of his-GST tagged human EGFR L858R/T790M double mutant expressed in insect cells incubated for 30 mins in presence of ATP by HTRF kinase assay
50017200	1	ChEMBL_2233472 (CHEMBL5147244)	Inhibition of hERG channel expressed in HEK293 cells at -80 mV holding potential by automated patch clamp method
50017201	1	ChEMBL_2233511 (CHEMBL5147283)	Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate incubated for 10 mins by Ellman's method
50017201	2	ChEMBL_2233512 (CHEMBL5147284)	Inhibition of BChE (unknown origin) using acetylcholine iodide as substrate incubated for 10 mins by Ellman's method
50017201	3	ChEMBL_2233514 (CHEMBL5147286)	Inhibition of tyrosinase (unknown origin) using L-DOPA as substrate incubated for 10 mins
50017201	4	ChEMBL_2233522 (CHEMBL5147294)	Inhibition of tyrosinase (unknown origin)
50017202	1	ChEMBL_2233537 (CHEMBL5147309)	Inhibition of VEGFR2 (unknown origin) by kinase-glo luminescent assay
50017207	1	ChEMBL_2233556 (CHEMBL5147328)	Binding affinity to wild-type human partial length RIPK1 (M1 to K305 residues) expressed in bacterial expression system incubated for 1 hr under shaking condition by Kinomescan method
50017208	1	ChEMBL_2233594 (CHEMBL5147366)	Inhibition of N-terminal His tagged human EP300 (1159-1666 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	2	ChEMBL_2233595 (CHEMBL5147367)	Inhibition of EP300 in human LK2 cells assessed as reduction in intracellular histone H3 acetylation at lysine 27 residue incubated for 3 hrs by chemiluminescence based ELISA
50017208	3	ChEMBL_2233604 (CHEMBL5147376)	Inhibition of CBP (unknown origin) using biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	4	ChEMBL_2233605 (CHEMBL5147377)	Inhibition of GST tagged human TIP60 expressed in Sf9 cells using biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	5	ChEMBL_2233606 (CHEMBL5147378)	Inhibition of MYST2 (unknown origin) using biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	6	ChEMBL_2233607 (CHEMBL5147379)	Inhibition of MYST4 (unknown origin) using biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	7	ChEMBL_2233608 (CHEMBL5147380)	Inhibition of GST tagged human PCAF (431 to end residues) expressed in Sf9 cells using biotinylated H3 (1 to 21)-GGK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017208	8	ChEMBL_2233609 (CHEMBL5147381)	Inhibition of GST tagged human GCN5 (323 to end residues) expressed in Sf9 cells using biotinylated H3 (1 to 21)-GGK peptide as substrate incubated for 1 hr by AlphaLISA assay
50017210	1	ChEMBL_2233625 (CHEMBL5147397)	Inhibition of human JAK1 kinase domain
50017210	2	ChEMBL_2233626 (CHEMBL5147398)	Inhibition of human JAK2 kinase domain
50017210	3	ChEMBL_2233627 (CHEMBL5147399)	Inhibition of human JAK3 kinase domain
50017213	1	ChEMBL_2233689 (CHEMBL5147461)	Inhibition of ALK C1156Y mutant (unknown origin) using biotinylated substrate incubated for 1 hr in the presence of ATP at Km concentration by HTRF assay
50017213	2	ChEMBL_2233690 (CHEMBL5147462)	Inhibition of ALK L1196M mutant (unknown origin) using biotinylated substrate incubated for 1 hr in the presence of ATP at Km concentration by HTRF assay
50017213	3	ChEMBL_2233691 (CHEMBL5147463)	Inhibition of wild type ALK (unknown origin) using biotinylated substrate incubated for 1 hr in the presence of ATP at Km concentration by HTRF assay
50017213	4	ChEMBL_2233745 (CHEMBL5147517)	Inhibition of wild type EGFR (unknown origin)
50017217	1	ChEMBL_2233772 (CHEMBL5147544)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 peptide as substrate incubated for 30 mins by FRET based assay
50017218	1	ChEMBL_2233774 (CHEMBL5147546)	Inhibition of recombinant human Asparagine endopeptidase preincubated for 5 mins followed by Z-Ala-Ala-Asn-AMC substrate addition measured after 2 hrs by microplate reader
50017222	1	ChEMBL_2233777 (CHEMBL5147549)	Binding affinity to MDM2 (unknown origin)
50017222	2	ChEMBL_2233778 (CHEMBL5147550)	Binding affinity to recombinant human MDM2 by using 5-FAM-PMDM6 by fluorescence polarization based assay
50017223	1	ChEMBL_2233885 (CHEMBL5147657)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50017223	2	ChEMBL_2233886 (CHEMBL5147658)	Inhibition of CYP2C9 (unknown origin)
50017223	3	ChEMBL_2233887 (CHEMBL5147659)	Inhibition of CYP2C19 (unknown origin)
50017223	4	ChEMBL_2233888 (CHEMBL5147660)	Inhibition of CYP2D6 (unknown origin)
50017223	5	ChEMBL_2233889 (CHEMBL5147661)	Inhibition of CYP1A2 (unknown origin)
50017226	1	ChEMBL_2233922 (CHEMBL5147694)	Inhibition of recombinant human Nav 1.7 expressed in HEK293F cells incubated for 3 mins by FRET based membrane potential assay
50017226	2	ChEMBL_2233923 (CHEMBL5147695)	Inhibition of hERG channel by electrophysiology
50017226	3	ChEMBL_2233931 (CHEMBL5147703)	Inhibition of recombinant human Nav 1.7 expressed in HEK293F cells at -65 mV holding potential by Qpatch clamp electrophysiology method
50017226	4	ChEMBL_2233932 (CHEMBL5147704)	Inhibition of human Nav 1.5 expressed in HEK293 cells at -90 mV holding potential by Whole cell voltage clamp electrophysiology assay
50017226	5	ChEMBL_2233933 (CHEMBL5147705)	Inhibition of human Nav1.8 by FRET based membrane potential assay
50017226	6	ChEMBL_2233934 (CHEMBL5147706)	Inhibition of recombinant human Nav1.2 expressed in HEK293 cells incubated for 3 mins by FRET based membrane potential assay
50017226	7	ChEMBL_2234009 (CHEMBL5147781)	Inhibition of recombinant human Nav 1.7 expressed in HEK293F cells at -65 to 80 mV holding potential by manual voltage clamp electrophysiology method
50017226	8	ChEMBL_2234010 (CHEMBL5147782)	Inhibition of human Nav 1.8 by manual electrophysiology method
50017226	9	ChEMBL_2234011 (CHEMBL5147783)	Inhibition of hERG channel by manual electrophysiology method
50017227	1	ChEMBL_2234047 (CHEMBL5147819)	Inhibition of rat brain MAOA using kynuramine substrate by fluorescence spectrophotometry
50017227	2	ChEMBL_2234048 (CHEMBL5147820)	Inhibition of rat brain MAOB using kynuramine substrate by fluorescence spectrophotometry
50017227	3	ChEMBL_2234050 (CHEMBL5147822)	Inhibition of human recombinant MAOA using kynuramine substrate incubated for 20 mins by fluorescence spectrophotometry
50017227	4	ChEMBL_2234051 (CHEMBL5147823)	Inhibition of human recombinant MAOB using kynuramine substrate incubated for 20 mins by fluorescence spectrophotometry
50017227	5	ChEMBL_2234060 (CHEMBL5147832)	Time dependent inhibition of human recombinant MAOB at 0.25 to 1.25 uM using kynuramine substrate by fluorescence spectrophotometry based L-B plot analysis
50017227	6	ChEMBL_2234061 (CHEMBL5147833)	Time dependent inhibition of human recombinant MAOB at 0.25 to 1.25 uM using kynuramine substrate by fluorescence spectrophotometry based graphing of slopes of Lineweaver-Burk plots versus inhibitor concentration
50017229	1	ChEMBL_2234062 (CHEMBL5147834)	Inhibition of human recombinant TNIK (1 to 367 residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based radiometric scintillation counting method
50017231	1	ChEMBL_2234094 (CHEMBL5147866)	Agonist activity at mouse Piezo1 transfected in human HEK293T cells by FLIPR assay
50017231	2	ChEMBL_2234095 (CHEMBL5147867)	Agonist activity at human Piezo1 transfected in human HEK293T cells by FLIPR assay
50017231	3	ChEMBL_2234096 (CHEMBL5147868)	Binding affinity to CM5 sensor chip-immobilized mouse Piezo1 (1 to 2190 residues) assessed as dissociation constant by real-time SPR assay
50017231	4	ChEMBL_2234097 (CHEMBL5147869)	Inhibition of mouse Piezo1
50017231	5	ChEMBL_2234098 (CHEMBL5147870)	Binding affinity to mouse Piezo1 assessed as dissociation constant by SPR assay
50017232	1	ChEMBL_2234112 (CHEMBL5147884)	Binding affinity to recombinant His-tagged full length human PDI-b' x domain substrate binding pocket expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant at 100 uM incubated for 10 mins by tryptophan fluorescence based assay
50017233	1	ChEMBL_2234121 (CHEMBL5147893)	Inhibition of Sprague-Dawley rat MAO-A
50017233	2	ChEMBL_2234123 (CHEMBL5147895)	Inhibition of Sprague-Dawley rat MAO-B
50017234	1	ChEMBL_2234132 (CHEMBL5147904)	Positive allosteric modulation of GABAA alpha1beta2gamma2 receptor (unknown origin) stably expressed in CHO cells assessed as activation of GABA-induced response in presence of GABA by FLIPR assay
50017234	2	ChEMBL_2234141 (CHEMBL5147913)	Positive allosteric modulation of recombinant GABAA alpha1beta2gamma2 receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at -70 mV holding potential in presence of GABA EC3 to 7 by two-microelectrode voltage-clamp assay
50017234	3	ChEMBL_2234143 (CHEMBL5147915)	Positive allosteric modulation of recombinant GABAA alpha1beta2 receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at -70 mV holding potential in presence of GABA EC3 to 7 by two-microelectrode voltage-clamp assay
50017237	1	ChEMBL_2234153 (CHEMBL5147925)	Inhibition of Aurora A (unknown origin) using kemptide acetate as substrate measured after 30 mins by kinase-glo luminescence assay
50017237	2	ChEMBL_2234154 (CHEMBL5147926)	Inhibition of Aurora B (unknown origin) using kemptide acetate as substrate measured after 30 mins by kinase-glo luminescence assay
50017239	1	ChEMBL_2234234 (CHEMBL5148006)	Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50017244	1	ChEMBL_2234268 (CHEMBL5148040)	Inhibition of eEF2K (unknown origin)
50017245	1	ChEMBL_2234293 (CHEMBL5148065)	Antagonist activity against human PTHR1 expressed in CHO-K1 cells assessed as reduction in PTH induced cAMP level incubated for 30 mins in presence of IBMX by cAMP assay
50017246	1	ChEMBL_2234308 (CHEMBL5148080)	Inhibition of Staphylococcus aureus MraY assessed as reduction of dansylated lipid I formation using UDP-MurNAcdansylpentapeptide as substrate incubated for 3 to 4 hrs by fluorescence based analysis
50017249	1	ChEMBL_2234317 (CHEMBL5148089)	Inhibition of FAAH (unknown origin) by fluorescence based method
50017249	2	ChEMBL_2234318 (CHEMBL5148090)	Inhibition of MAGL (unknown origin) by fluorescence based method
50017249	3	ChEMBL_2234320 (CHEMBL5148092)	Inhibition of mouse brain FAAH by competitive ABPP assay
50017249	4	ChEMBL_2234321 (CHEMBL5148093)	Inhibition of recombinant FAAH (unknown origin) expressed in COS7 cells assessed as blockade of substrate hydrolysis using 2-AG as substrate preincubated with compound for 30 mins followed by substrate addition
50017249	5	ChEMBL_2234322 (CHEMBL5148094)	Inhibition of recombinant MAGL (unknown origin) expressed in COS7 cells assessed as blockade of substrate hydrolysis using AEA as substrate preincubated with compound for 30 mins followed by susbstrate addition
50017256	1	ChEMBL_2234410 (CHEMBL5148182)	Inhibition of human DYRK1A incubated for 90 mins in presence of ATP by Z-LYTE based FRET assay
50017256	2	ChEMBL_2234411 (CHEMBL5148183)	Inhibition of human DYRK1B incubated for 130 mins in presence of ATP by ADP-Glo kinase assay
50017256	3	ChEMBL_2234423 (CHEMBL5148195)	Inhibition of NanoLuc-fused human DYRK1A expressed in HEK293 cells using Nano-Glo as substrate incubated for 2 hrs by NanoBRET assay
50017256	4	ChEMBL_2234424 (CHEMBL5148196)	Inhibition of NanoLuc-fused human DYRK1B expressed in HEK293T cells using Nano-Glo as substrate incubated for 2 hrs by NanoBRET assay
50017256	5	ChEMBL_2234426 (CHEMBL5148198)	Inhibition of DNA-tagged human PRP4 expressed in Escherichia coli incubated for 1.5 hrs by KINOMEscan assay
50017258	1	ChEMBL_2234444 (CHEMBL5148216)	Inhibition of FOXO-1 in human HepG2 cells incubated for 20 hrs by Renilla luciferase reporter gene assay
50017260	1	ChEMBL_2234459 (CHEMBL5148231)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate
50017260	2	ChEMBL_2234460 (CHEMBL5148232)	Inhibition of CYP1A2 in human liver microsomes using 7-ethoxyresorufin as substrate
50017260	3	ChEMBL_2234461 (CHEMBL5148233)	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate
50017260	4	ChEMBL_2234462 (CHEMBL5148234)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
50017260	5	ChEMBL_2234463 (CHEMBL5148235)	Inhibition of CYP3A4 in human liver microsomes using terfenedine as substrate
50017260	6	ChEMBL_2234478 (CHEMBL5148250)	Activation of rat liver AMPK-beta1 using SAMS peptide as substrate incubated for 10 mins by microplate reader assay
50017260	7	ChEMBL_2234479 (CHEMBL5148251)	Activation of recombinant AMPK-beta2 (unknown origin) assessed as increase in AMPK phosphorylation by DELFIA fluorescence assay
50017262	1	ChEMBL_2234480 (CHEMBL5148252)	Inhibition of human serum vanin-1 using pantetheine-7-amino-4-trifluoromethykournarin as substrate preincubated for 10 mins followed by substrate addition by fluorometry
50017267	1	ChEMBL_2234561 (CHEMBL5148333)	Inhibition of wild type N-terminal GST tagged ALK cytoplasmic domain (1058 to 1620 end residues) (unknown origin) expressed in Sf21 cells incubated for 1 hr in presence of ATP
50017267	2	ChEMBL_2234562 (CHEMBL5148334)	Inhibition of wild type N-terminal GST tagged ALK L1196M mutant cytoplasmic domain (1058 to 1620 end residues) (unknown origin) expressed in Sf21 cells incubated for 1 hr in presence of ATP
50017267	3	ChEMBL_2234563 (CHEMBL5148335)	Inhibition of wild type N-terminal GST tagged ALK G1202R mutant cytoplasmic domain (1058 to 1620 end residues) (unknown origin) expressed in Sf21 cells incubated for 1 hr in presence of ATP
50017272	1	ChEMBL_2234585 (CHEMBL5148357)	Agonist activity against human LXRalpha expressed in human HEK293T cells co-expressing CMX-GAL4N-hLXRalpha incubated for 24 hrs by reporter gene assay
50017272	2	ChEMBL_2234586 (CHEMBL5148358)	Agonist activity against human LXRbeta expressed in human HEK293T cells co-expressing CMX-GAL4N-hLXRbeta incubated for 24 hrs by reporter gene assay
50017273	1	ChEMBL_2234591 (CHEMBL5148363)	Displacement of [125-I]-[Sar1Ile8]-angiotensin II from human AT1R expressed in HEK293 cell membrane assessed as inhibition constant by radioligand binding assay
50017273	2	ChEMBL_2234592 (CHEMBL5148364)	Displacement of [125-I]-[Sar1Ile8]-angiotensin II from human AT2R expressed in HEK293 cell membrane assessed as inhibition constant by radioligand binding assay
50017273	3	ChEMBL_2234597 (CHEMBL5148369)	Displacement of [125-I]-[Sar1, Ile8]-angiotensin II from AT1R (unknown origin) by radioligand binding assay
50017273	4	ChEMBL_2234598 (CHEMBL5148370)	Displacement of [125-I]-[Sar1, Ile8]-angiotensin II from AT2R (unknown origin) by radioligand binding assay
50017274	1	ChEMBL_2234600 (CHEMBL5148372)	Displacement of conivaptan-red from SNAP-tagged human V2 receptor expressed in HEK293 cells measured after 1 hr by HTRF assay
50017274	2	ChEMBL_2234602 (CHEMBL5148374)	Displacement of [3H]-vasopressin from human V1A receptor expressed in CHO cells membrane by microbeta scintillation counter analysis
50017274	3	ChEMBL_2234603 (CHEMBL5148375)	Antagonist activity at human V2 receptor expressed in CHO cells assessed as inhibition of vasopressin-induced cAMP accumulation incubated for 1 hr
50017275	1	ChEMBL_2234640 (CHEMBL5148412)	Agonist activity at human APJ receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured after 30 mins by TR-FRET based LANCE cAMP assay
50017275	2	ChEMBL_2234642 (CHEMBL5148414)	Agonist activity at human APJ receptor expressed in CHO cells co-expressing Galphaq16 assessed as stimulation of Ca2+ mobilization measured at 1 sec interval for 90 sec by fluorescent Calcium 5-dye based FLIPR-calcium mobilization assay
50017275	3	ChEMBL_2234648 (CHEMBL5148420)	Agonist activity at human AGTRL1 expressed in CHO-K1 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by PathHunter assay
50017276	1	ChEMBL_2234669 (CHEMBL5148441)	Antibacterial activity against Enterococcus faecalis incubated for 16 to 24 hrs by broth microdilution based spectrophotometric analysis
50017276	2	ChEMBL_2234675 (CHEMBL5148447)	Antibacterial activity against Enterococcus faecalis incubated for 16 to 24 hrs in presence of ampicillin by broth microdilution based spectrophotometric analysis
50017276	3	ChEMBL_2234676 (CHEMBL5148448)	Antibacterial activity against Enterococcus faecalis incubated for 16 to 24 hrs in presence of rifampicin by broth microdilution based spectrophotometric analysis
50017277	1	ChEMBL_2234681 (CHEMBL5148453)	Inhibition of recombinant Trypanosoma brucei PTR1 expressed in Escherichia coli BL21 (DE3) cells using H2B as substrate in presence of cytochrome c and NADPH by envision multilabel reader
50017277	2	ChEMBL_2234682 (CHEMBL5148454)	Inhibition of recombinant Leishmania major PTR1 expressed in Escherichia coli BL21 (DE3) cells using H2B as substrate in presence of cytochrome c and NADPH by envision multilabel reader
50017277	3	ChEMBL_2234683 (CHEMBL5148455)	Inhibition of recombinant Trypanosoma brucei DHFR-TS expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of NADPH by spectrophotometric analysis
50017277	4	ChEMBL_2234684 (CHEMBL5148456)	Inhibition of recombinant Leishmania major DHFR-TS expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of NADPH by spectrophotometric analysis
50017277	5	ChEMBL_2234685 (CHEMBL5148457)	Inhibition of recombinant human DHFR expressed in Escherichia coli BL21 (DE3) cells using dihydrofolate as substrate in presence of NADPH by spectrophotometric analysis
50017279	1	ChEMBL_2234710 (CHEMBL5148482)	Agonist activity at Gal4-fused human FXR in HEK293 cells incubated for 15 min by luciferase reporter assay
50017279	2	ChEMBL_2234711 (CHEMBL5148483)	Agonist activity at LBD fused human FXR in HEK293 cells incubated for 30 min by envision plate reader method
50017279	3	ChEMBL_2234712 (CHEMBL5148484)	Agonist activity at mouse LBD fused FXR in HEK293 cells incubated for 30 min by envision plate reader method
50017279	4	ChEMBL_2234713 (CHEMBL5148485)	Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEP relative to GW2064
50017279	5	ChEMBL_2234714 (CHEMBL5148486)	Agonist activity at human FXR2 expressed in HEK293 cells coexpressing human FGF19 incubated for 24 hrs by ELISA analysis
50017279	6	ChEMBL_2234715 (CHEMBL5148487)	Agonist activity at human FXR2 expressed in HEK293 cells coexpressing IBABP
50017279	7	ChEMBL_2234716 (CHEMBL5148488)	Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEP
50017279	8	ChEMBL_2234720 (CHEMBL5148492)	Transactivation of PXR (unknown origin)
50017279	9	ChEMBL_2234722 (CHEMBL5148494)	Inhibition of recombinant CYP2C9 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence method
50017279	10	ChEMBL_2234723 (CHEMBL5148495)	Inhibition of recombinant CYP2C19 (unknown origin) using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence method
50017279	11	ChEMBL_2234741 (CHEMBL5148513)	Inhibition of CYP3A4 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence based assay
50017279	12	ChEMBL_2234742 (CHEMBL5148514)	Inhibition of CYP2C19 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence based assay
50017279	13	ChEMBL_2234743 (CHEMBL5148515)	Inhibition of CYP2D6 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence based assay
50017279	14	ChEMBL_2234744 (CHEMBL5148516)	Inhibition of CYP2C8 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence based assay
50017279	15	ChEMBL_2234745 (CHEMBL5148517)	Inhibition of CYP2C9 in human liver microsomes using fluorogenic substrate preincubated for 15 min followed by NADPH addition measured after 2 hrs by fluorescence based assay
50017279	16	ChEMBL_2234746 (CHEMBL5148518)	Inhibition of OATP1B3 (unknown origin)
50017279	17	ChEMBL_2234747 (CHEMBL5148519)	Inhibition of BSEP (unknown origin)
50017279	18	ChEMBL_2234748 (CHEMBL5148520)	Inhibition of human UGT1A1
50017279	19	ChEMBL_2234749 (CHEMBL5148521)	Inhibition of hERG by patch clamp assay
50017281	1	ChEMBL_2234751 (CHEMBL5148523)	Displacement of [3H]ZM241385 from human A2AAR expressed in HEK293 cells membrane assessed as inhibition constant preincubated for 5 mins followed by [3H]ZM241385 addition and measured after 1.5 hrs by TopCount scintillation counting method
50017281	2	ChEMBL_2234752 (CHEMBL5148524)	Displacement of [3H]DPCPX from human A1AR expressed in HEK293 cells membrane assessed as inhibition constant preincubated for 5 mins followed by [3H]DPCPX addition and measured after 1.5 hrs by TopCount scintillation counting method
50017281	3	ChEMBL_2234755 (CHEMBL5148527)	Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cells membrane assessed as inhibition constant preincubated for 5 mins followed by [3H]DPCPX addition and measured after 1.5 hrs by TopCount scintillation counting method
50017281	4	ChEMBL_2234756 (CHEMBL5148528)	Displacement of [3H]HEMADO from human A3AR expressed in CHO-K1 cells membrane assessed as inhibition constant preincubated for 5 mins followed by [3H]HEMADO addition and measured after 1.5 hrs by TopCount scintillation counting method
50017281	5	ChEMBL_2234771 (CHEMBL5148543)	Antagonist activity at A2AAR in human HEK293 cells assessed as inhibition of CGS21680-induced cAMP production preincubated for 15 mins followed by CGS21680 addition and measured after 15 mins by HTRF assay
50017281	6	ChEMBL_2234772 (CHEMBL5148544)	Antagonist activity at A2AAR in human T -cells assessed as increase in IL-2 production preincubated for 1 hr followed by CD3/CD28 monoclonal antibody addition and measured after 24 hrs in presence of NECA by ELISA
50017285	1	ChEMBL_2234794 (CHEMBL5148566)	Inhibition of human 20S constitutive proteasome beta-5c subunit using Suc-LLVY-AMC as substrate measured after 1.2 hrs in presence of SDS
50017285	2	ChEMBL_2234795 (CHEMBL5148567)	Inhibition of human 20S immunoproteasome beta-5i subunit using Ac-ANW-AMC as substrate measured after 1.2 hrs in presence of SDS
50017287	1	ChEMBL_2234808 (CHEMBL5148580)	Antagonist activity at full length human PAR4 expressed in HEK293 cells assessed as reduction in H-Ala-Phe(4-F)-Pro-Gly-Trp-Leu-Val-Lys-Asn-Gly-NH2 induced intracellular calcium mobilization pretreated with compound for 30 mins followed by agonist addition for 30 mins by FLIPR method
50017287	2	ChEMBL_2234816 (CHEMBL5148588)	Binding affinity to PAR4 (unknown origin) assessed as saturation binding
50017287	3	ChEMBL_2234819 (CHEMBL5148591)	Binding affinity to PAR4 (unknown origin) assessed as association constant
50017287	4	ChEMBL_2234830 (CHEMBL5148602)	Inhibition of CYP2B6 in human liver microsomes
50017287	5	ChEMBL_2234831 (CHEMBL5148603)	Inhibition of CYP2C8 in human liver microsomes
50017287	6	ChEMBL_2234832 (CHEMBL5148604)	Inhibition of CYP2C9 in human liver microsomes
50017287	7	ChEMBL_2234833 (CHEMBL5148605)	Inhibition of CYP2C19 in human liver microsomes
50017287	8	ChEMBL_2234834 (CHEMBL5148606)	Inhibition of CYP2D6 in human liver microsomes
50017287	9	ChEMBL_2234835 (CHEMBL5148607)	Inhibition of CYP3A4 in human liver microsomes
50017287	10	ChEMBL_2234836 (CHEMBL5148608)	Agonist activity at PXR (unknown origin)
50017288	1	ChEMBL_2234890 (CHEMBL5148662)	Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as dissociation constant at 21 degreeC by fluorescence spectroscopy based
50017288	2	ChEMBL_2234891 (CHEMBL5148663)	Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as dissociation constant at 25 degreeC by isothermal titration calorimetry
50017288	3	ChEMBL_2234892 (CHEMBL5148664)	Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as apparent dissociation constant at 44 degreeC by isothermal titration calorimetry
50017288	4	ChEMBL_2234893 (CHEMBL5148665)	Binding affinity to full length Mycobacterium tuberculosis protein kinase G expressed in Escherichia coli BL21 assessed as change in melting temperature at 44 degreeC by differential scanning fluorimetry
50017288	5	ChEMBL_2234897 (CHEMBL5148669)	Inhibition of full length Mycobacterium tuberculosis protein kinase G using His-tagged GarA as substrate in presence of [gamma32P] ATP measured after 12 to 24 hrs by radiometric kinase assay
50017290	1	ChEMBL_2234939 (CHEMBL5148711)	Inhibition of human ERG potassium channel by manual patch-clamp electrophysiology
50017291	1	ChEMBL_2235119 (CHEMBL5148891)	Inhibition of human his tagged CD38 using N6-etheno-NAD as substrate by fluorescence microplate reader assay
50017291	2	ChEMBL_2235122 (CHEMBL5148894)	Inhibition of mouse his tagged CD38 using N6-etheno-NAD as substrate by fluorescence microplate reader assay
50017291	3	ChEMBL_2235123 (CHEMBL5148895)	Inhibition of rat CD38 using N6-etheno-NAD as substrate by fluorescence microplate reader assay
50017292	1	ChEMBL_2235256 (CHEMBL5149028)	Binding affinity to human TEAD1 (209 to 426 residues) expressed in Escherichia coli BL21 Star (DE3) by surface plasmon resonance assay
50017292	2	ChEMBL_2235257 (CHEMBL5149029)	Binding affinity to human TEAD2 (217 to 447 residues) expressed in Escherichia coli BL21 Star (DE3) by surface plasmon resonance assay
50017292	3	ChEMBL_2235258 (CHEMBL5149030)	Binding affinity to human TEAD3 (216 to 435 residues) expressed in Escherichia coli BL21 Star (DE3) by surface plasmon resonance assay
50017292	4	ChEMBL_2235259 (CHEMBL5149031)	Binding affinity to human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 Star (DE3) by surface plasmon resonance assay
50017292	5	ChEMBL_2235309 (CHEMBL5149081)	Inhibition of CYP1A2 (unknown origin)
50017292	6	ChEMBL_2235310 (CHEMBL5149082)	Inhibition of CYP2B6 (unknown origin)
50017292	7	ChEMBL_2235311 (CHEMBL5149083)	Inhibition of CYP2C8 (unknown origin)
50017292	8	ChEMBL_2235312 (CHEMBL5149084)	Inhibition of CYP2C9 (unknown origin)
50017292	9	ChEMBL_2235313 (CHEMBL5149085)	Inhibition of CYP2C19 (unknown origin)
50017292	10	ChEMBL_2235314 (CHEMBL5149086)	Inhibition of CYP2D6 (unknown origin)
50017292	11	ChEMBL_2235316 (CHEMBL5149088)	Inhibition of CYP3A4 (unknown origin)
50017294	1	ChEMBL_2235376 (CHEMBL5149148)	Agonist activity at TLR1/TLR2 in human THP-1 derived macrophages assessed as stimulation of TNF alpha release measured for 4 hrs by ELISA based assay
50017294	2	ChEMBL_2235378 (CHEMBL5149150)	Agonist activity at TLR1/TLR2 in wild type C57BL/6J mouse macrophages assessed as stimulation of TNF alpha release measured for 4 hrs by ELISA based assay
50017295	1	ChEMBL_2235389 (CHEMBL5149161)	Inhibition of SerpinA3n in mouse ScN2a cells infected with 22L prion assessed as reduction of PrPSc accumulation measured after 3 days by densitometric analysis
50017295	2	ChEMBL_2235395 (CHEMBL5149167)	Binding affinity to C-terminal His-tagged mouse recombinant SerpinA3n expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by isothermal titration calorimetry method
50017295	4	ChEMBL_2235401 (CHEMBL5149173)	Inhibition of SerpinA3n in mouse ScGT1 cells infected with RML prion assessed as reduction of PrPSc accumulation measured after 3 days by densitometric analysis
50017295	5	ChEMBL_2235402 (CHEMBL5149174)	Inhibition of SerpinA3n in mouse ScGT1 cells infected with 22L prion assessed as reduction of PrPSc accumulation measured after 3 days by densitometric analysis
50017295	6	ChEMBL_2235403 (CHEMBL5149175)	Inhibition of SerpinA3n in mouse ScN2a cells infected with RML prion assessed as reduction of PrPSc accumulation measured after 3 days by densitometric analysis
50017295	7	ChEMBL_2235420 (CHEMBL5149192)	Synergistic anti-prion activity of mouse ScN2a cells infected with RML prion assessed as reduction of RML accumulation by isobologram analysis
50017296	1	ChEMBL_2235434 (CHEMBL5149206)	Displacement of [3H]-SR141716A from recombinant human CB1 receptor expressed in CHO cells membrane incubated for 90 mins
50017296	2	ChEMBL_2235435 (CHEMBL5149207)	Displacement of [3H]-WIN55212-2 from human CB2 receptor transfected in CHO cells membrane incubated for 90 mins
50017296	3	ChEMBL_2235437 (CHEMBL5149209)	Displacement of [18F]-LU13 from rat spleen CB2 receptor incubated for 90 mins by competitive radioligand binding assay
50017296	4	ChEMBL_2235438 (CHEMBL5149210)	Displacement of [18F]-LU13 from human CB2 receptor transfected in CHO cells membrane homogenate incubated for 90 mins by competitive radioligand binding assay
50017296	5	ChEMBL_2235458 (CHEMBL5149230)	Displacement of [3H]-WIN55212-2 from human CB2 receptor transfected in CHO-K1 cell membrane incubated for 90 mins by Liquid scintillation counter analysis
50017296	6	ChEMBL_2235459 (CHEMBL5149231)	Inhibition of human CB2 receptor assessed as inhibition constant
50017299	1	ChEMBL_2235465 (CHEMBL5149237)	Inhibition of human FBPase expressed Escherichia coli BL21 in by malachite green dye based spectrophotometry
50017301	1	ChEMBL_2235521 (CHEMBL5149293)	Inhibition of CYP1A2 in human liver microsome using Phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50017301	2	ChEMBL_2235522 (CHEMBL5149294)	Inhibition of CYP2C9 in human liver microsome using tolbutamide as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50017301	3	ChEMBL_2235523 (CHEMBL5149295)	Inhibition of CYP2C19 in human liver microsome using mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50017301	4	ChEMBL_2235524 (CHEMBL5149296)	Inhibition of CYP2D6 in human liver microsome using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50017301	5	ChEMBL_2235525 (CHEMBL5149297)	Inhibition of CYP3A4 in human liver microsome using midazolam and testostrone as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50017301	6	ChEMBL_2235526 (CHEMBL5149298)	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method
50017303	1	ChEMBL_2235527 (CHEMBL5149299)	Agonist activity at human FXR transfected in CHO-K1 cells coexpressed with beta-galactosidase incubated for 3 to 16 hrs by PathHunter chemiluminescence based assay
50017303	2	ChEMBL_2235581 (CHEMBL5149353)	Agonist activity at human AR expressed in CHO-K1 cells
50017303	3	ChEMBL_2235582 (CHEMBL5149354)	Agonist activity at human ERalpha expressed in CHO-K1 cells by PathHunter assay
50017303	4	ChEMBL_2235583 (CHEMBL5149355)	Agonist activity at human GR expressed in CHO-K1 cells by PathHunter assay
50017303	5	ChEMBL_2235584 (CHEMBL5149356)	Agonist activity at human LXR-alpha expressed in CHO-K1 cells by PathHunter assay
50017303	6	ChEMBL_2235585 (CHEMBL5149357)	Agonist activity at human LXR-beta expressed in CHO-K1 cells by PathHunter assay
50017303	7	ChEMBL_2235586 (CHEMBL5149358)	Agonist activity at human MR expressed in CHO-K1 cells by PathHunter assay
50017303	8	ChEMBL_2235587 (CHEMBL5149359)	Agonist activity at human PPAR-alpha expressed in CHO-K1 cells by PathHunter assay
50017303	9	ChEMBL_2235588 (CHEMBL5149360)	Agonist activity at human PPAR-gamma expressed in CHO-K1 cells by PathHunter assay
50017303	10	ChEMBL_2235589 (CHEMBL5149361)	Agonist activity at human PPAR-delta expressed in CHO-K1 cells by PathHunter assay
50017303	11	ChEMBL_2235590 (CHEMBL5149362)	Agonist activity at human PR-alpha expressed in U2OS cells by PathHunter assay
50017303	12	ChEMBL_2235591 (CHEMBL5149363)	Agonist activity at human PR-beta expressed in U2OS cells by PathHunter assay
50017303	13	ChEMBL_2235592 (CHEMBL5149364)	Agonist activity at human RAR-alpha expressed in CHO-K1 cells by PathHunter assay
50017303	14	ChEMBL_2235593 (CHEMBL5149365)	Agonist activity at human RAR-beta expressed in CHO-K1 cells by PathHunter assay
50017303	15	ChEMBL_2235594 (CHEMBL5149366)	Agonist activity at human RXR-alpha expressed in U2OS cells by PathHunter assay
50017303	16	ChEMBL_2235595 (CHEMBL5149367)	Agonist activity at human RXR-beta expressed in U2OS cells by PathHunter assay
50017303	17	ChEMBL_2235596 (CHEMBL5149368)	Agonist activity at human THR-alpha expressed in CHO-K1 cells by PathHunter assay
50017303	18	ChEMBL_2235597 (CHEMBL5149369)	Agonist activity at human THR-beta expressed in CHO-K1 cells by PathHunter assay
50017303	19	ChEMBL_2235598 (CHEMBL5149370)	Partial agonist activity at FXR (unknown origin) expressed in CHO-K1 cells coexpressed with beta-galactosidase incubated for 3 to 16 hrs by PathHunter chemiluminescence based assay
50017305	1	ChEMBL_2235657 (CHEMBL5149429)	Positive allosteric modulation of mGlu2 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells in presence of L-glutamate by luciferase based GloSensor cAMP Assay
50017305	2	ChEMBL_2235658 (CHEMBL5149430)	Agonist activity at mGlu2 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	3	ChEMBL_2235659 (CHEMBL5149431)	Agonist activity at mGlu3 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	4	ChEMBL_2235660 (CHEMBL5149432)	Agonist activity at mGlu1 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	5	ChEMBL_2235661 (CHEMBL5149433)	Agonist activity at mGlu4 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	6	ChEMBL_2235662 (CHEMBL5149434)	Agonist activity at mGlu5 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	7	ChEMBL_2235663 (CHEMBL5149435)	Agonist activity at mGlu6 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017305	8	ChEMBL_2235664 (CHEMBL5149436)	Agonist activity at mGlu8 receptor (unknown origin) expressed in human Flp-In-T-REx-293 cells by luciferase based GloSensor cAMP Assay
50017306	1	ChEMBL_2235689 (CHEMBL5149461)	Binding affinity to human CD137 assessed as dissociation constant by surface plasmon resonance analysis
50017306	2	ChEMBL_2235701 (CHEMBL5149473)	Binding affinity to human recombinant CD137 by surface plasmon resonance analysis
50017306	3	ChEMBL_2235702 (CHEMBL5149474)	Agonist activity at human CD137 expressed in Jurkat T cells co-expressing response element driven luciferase reporter gene assessed as luminescence measured after 6 hrs by HT1376/CD137 reporter co-culture assay
50017306	4	ChEMBL_2235705 (CHEMBL5149477)	Agonist activity at human Nectin-4 expressed in Jurkat T cells co-expressing response element driven luciferase reporter gene assessed as luminescence measured after 6 hrs by HT1376/CD137 reporter co-culture assay
50017306	5	ChEMBL_2235706 (CHEMBL5149478)	Binding affinity to human Nectin-4 assessed as dissociation constant using 1:1 Nectin-4/CD137 by surface plasmon resonance analysis
50017307	1	ChEMBL_2235707 (CHEMBL5149479)	Inhibition of recombinant wild type His-tagged AGT (unknown origin) expressed in Escherichia coli BL21 using L-alanine and glyoxylate as a substrate in presence of PLP
50017307	2	ChEMBL_2235709 (CHEMBL5149481)	Inhibition of recombinant wild type His-tagged AGT (unknown origin) expressed in Escherichia coli BL21 assessed as inhibition constant using L-alanine and glyoxylate as a substrate in presence of PLP
50017308	1	ChEMBL_2235733 (CHEMBL5149505)	Inhibition of recombinant ERAP1 (unknown origin) expressed in baculovirus infected Hi-5 insect cells using L-AMC as substrate by flourescence assay
50017308	2	ChEMBL_2235734 (CHEMBL5149506)	Inhibition of recombinant ERAP2 (unknown origin) expressed in baculovirus infected Hi-5 insect cells using R-AMC as substrate by flourescence assay
50017308	3	ChEMBL_2235735 (CHEMBL5149507)	Inhibition of recombinant IRAP (unknown origin) expressed in HEK293S cells using L-AMC as substrate by flourescence assay
50017308	4	ChEMBL_2235736 (CHEMBL5149508)	Inhibition of recombinant IRAP (unknown origin) expressed in ovalbumin expressing wild type HEK293S cells assessed as decrease in antigen-mediated IL-2 production increase in B3Z T cells pretreated with compound for 1 hr followed by washout and incubated with compound for overnight prior to B3Z T cell addition and measured after 24 hrs by sandwich ELISA assay
50017309	1	ChEMBL_2235739 (CHEMBL5149511)	Binding affinity to N-terminal his-TEV-Avi-tagged human recombinant SOS1 expressed in Escherichia coli assessed as inhibition constant incubated for 10 to 15 mins by HTRF displacement assay
50017309	2	ChEMBL_2235741 (CHEMBL5149513)	Inhibition of human EGFR in presence of ATP by radiometric HotSpot assay
50017309	3	ChEMBL_2235751 (CHEMBL5149523)	Inhibition of CYP3A4 (unknown origin)
50017310	1	ChEMBL_2235781 (CHEMBL5149553)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP measured after 1 hr by ADP-Glo assay
50017310	2	ChEMBL_2235782 (CHEMBL5149554)	Inhibition of PI3Kbeta (unknown origin) in presence of [33P]-ATP incubated for 2 hrs by hotspot kinase assay
50017310	3	ChEMBL_2235783 (CHEMBL5149555)	Inhibition of PI3Kdelta (unknown origin) in presence of [33P]-ATP incubated for 2 hrs by hotspot kinase assay
50017310	4	ChEMBL_2235784 (CHEMBL5149556)	Inhibition of PI3Kgamma (unknown origin) in presence of [33P]-ATP incubated for 2 hrs by hotspot kinase assay
50017311	1	ChEMBL_2235841 (CHEMBL5149613)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of froskolin-stimulated cAMP accumulation incubated for 90 mins by HitHunter chemiluminescence based assay
50017311	2	ChEMBL_2235843 (CHEMBL5149615)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as enhancement of beta arrestin-2 recruitment incubated for 90 mins by HitHunter chemiluminescence based assay
50017311	3	ChEMBL_2235845 (CHEMBL5149617)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of froskolin-stimulated cAMP accumulation incubated for 90 mins in presence of EC-21a by HitHunter chemiluminescence based assay
50017311	4	ChEMBL_2235846 (CHEMBL5149618)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of froskolin-stimulated cAMP accumulation at 50 nM incubated for 90 mins in presence of EC-21a by HitHunter chemiluminescence based assay relative to CP55,940
50017311	5	ChEMBL_2235848 (CHEMBL5149620)	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of froskolin-stimulated cAMP accumulation incubated for 90 mins in presence of SR144528 by HitHunter chemiluminescence based assay
50017311	6	ChEMBL_2235849 (CHEMBL5149621)	Displacement of [3H]-CP55,940 from human CB1R expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 2 hrs by liquid scintillation spectrometry analysis
50017311	7	ChEMBL_2235850 (CHEMBL5149622)	Displacement of [3H]-CP55,940 from human CB2R expressed in CHO-K1 cell membranes assessed as inhibition constant incubated for 2 hrs by liquid scintillation spectrometry
50017313	1	ChEMBL_2235865 (CHEMBL5149637)	Inhibition of full-length N-terminal His-TEV-tagged inactive form of MSK1 (2 to 802 residues) (unknown origin) expressed in HEK293 cells using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by activation with ERK2 and substrate addition measured after 2 hrs by microfluidic chip based electrophoresis
50017313	2	ChEMBL_2235866 (CHEMBL5149638)	Inhibition of full-length N-terminal His-TEV-tagged inactive form of MSK1 (2 to 802 residues) (unknown origin) expressed in HEK293 cells using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate measured after 2 hrs in presence of ERK2 by microfluidic chip based electrophoresis
50017313	3	ChEMBL_2235867 (CHEMBL5149639)	Inhibition of full-length N-terminal His-TEV-tagged inactive form of MSK1 (2 to 802 residues) (unknown origin) expressed in HEK293 cells using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 3 hrs followed by activation with ERK2 and substrate addition measured after 2 hrs by microfluidic chip based electrophoresis
50017313	4	ChEMBL_2235868 (CHEMBL5149640)	Inhibition of MSK2 (unknown origin) FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by activation with ERK2 and substrate addition measured after 2 hrs by microfluidic chip based electrophoresis
50017313	5	ChEMBL_2235869 (CHEMBL5149641)	Inhibition of full-length N-terminal His-TEV-tagged inactive form of MSK1 (2 to 802 residues) (unknown origin) expressed in HEK293 cells using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by activation with ERK2 and substrate addition measured after 2 hrs in presence of 1 mM ATP by microfluidic chip based electrophoresis
50017313	6	ChEMBL_2235870 (CHEMBL5149642)	Inhibition of N-terminal His6-tagged recombinant human MSK1 (2 to end residues) expressed in baculovirus infected Sf21 insect cells using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by caliper method
50017313	7	ChEMBL_2235872 (CHEMBL5149644)	Inhibition of N-terminal His-Smt-tagged MSK1 C-terminal kinase domain (414 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 70 mins in presence of 5 uM by ADP-Glo kinase assay
50017313	8	ChEMBL_2235873 (CHEMBL5149645)	Inhibition of N-terminal His-Smt-tagged MSK1 C-terminal kinase domain (414 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 70 mins in presence of 250 uM by ADP-Glo kinase assay
50017313	9	ChEMBL_2235876 (CHEMBL5149648)	Inhibition of N-terminal His-Smt-tagged MSK1 C-terminal kinase domain (414 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate measured after 70 mins by ADP-Glo kinase assay
50017313	10	ChEMBL_2235877 (CHEMBL5149649)	Inhibition of N-terminal His-Smt-tagged MSK1 C-terminal kinase domain (414 to 738 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using FAM-PSKPAATRKRRWSAPESR-NH2 as substrate preincubated for 1 hr followed by substrate addition and measured after 70 mins by ADP-Glo kinase assay
50017318	1	ChEMBL_2235954 (CHEMBL5149726)	Inhibition of human NHE3 expressed in opossum kidney cells assessed as reduction in Na-HEPES buffer-mediated pH recovery in presence of NEH1 inhibitor ethyl isopropyl amiloride by BCECF-AM dye based fluorescence assay
50017318	2	ChEMBL_2235955 (CHEMBL5149727)	Inhibition of rat NHE3 expressed in opossum kidney cells assessed as reduction in Na-HEPES buffer-mediated pH recovery in presence of NEH1 inhibitor ethyl isopropyl amiloride by BCECF-AM dye based fluorescence assay
50017322	1	ChEMBL_2236012 (CHEMBL5149784)	Inhibition of human recombinant renin
50017322	2	ChEMBL_2236013 (CHEMBL5149785)	Inhibition of renin activity in human plasma
50017322	3	ChEMBL_2236014 (CHEMBL5149786)	Inhibition of human recombinant renin using sheep recombinant angiotensinogen substrate incubated for 1 hr by EIA
50017322	4	ChEMBL_2236015 (CHEMBL5149787)	Inhibition of human recombinant renin using Nma-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-Dnp substrate incubated for 1 hr by FRET
50017322	5	ChEMBL_2236016 (CHEMBL5149788)	Inhibition of renin activity in human plasma by competitive radio immunoassay
50017323	1	ChEMBL_2236062 (CHEMBL5149834)	Inhibition of NLRP3 inflammasome in LPS-pretreated PBMC (unknown origin) assessed as reduction in IL-1beta release pretreated for 30 mins followed by ATP stimulated and measured after 1 hr by ELISA
50017323	2	ChEMBL_2236068 (CHEMBL5149840)	Inhibition of NLRP3 inflammasome in LPS-pretreated human whole blood assessed as reduction in IL-1beta release pretreated for 30 mins followed by ATP stimulated and measured after 1 hr by HTRF assay
50017323	3	ChEMBL_2236069 (CHEMBL5149841)	Inhibition of NLRP3 inflammasome in LPS-pretreated human THP1-ASC-GFP cells assessed as reduction in speck positive cells measured after 30 mins in presence of caspase inhibitor zVAD-FMK by Hoechst 33342 staining based confocal microscopy
50017324	1	ChEMBL_2236075 (CHEMBL5149847)	Agonist activity at human GCGR expressed in frozen cells assessed as measuring the cAMP level incubated for 1 hr by by HitHunter chemiluminescence based assay
50017324	2	ChEMBL_2236076 (CHEMBL5149848)	Agonist activity at human GLP1R expressed in frozen cells assessed as measuring the cAMP level incubated for 1 hr by by HitHunter chemiluminescence based assay
50017329	1	ChEMBL_2236079 (CHEMBL5149851)	Inhibition of MTase activity of SARS-CoV-2 NSP14 expressed in Escherichia coli BL21(DE3) using GpppA and SAM as substrate preincubated for 15 mins followed by SAM addition incubated for 15 mins by LC-MS/MS analysis
50017330	1	ChEMBL_2236092 (CHEMBL5149864)	Agonist activity at human OX2R expressed in CHO cells incubated for 2 hrs by IP-one detection reagent based fluorescence assay
50017332	1	ChEMBL_2236096 (CHEMBL5149868)	Agonist activity at human TRPC5 stably expressed in T-REx-293 cells assessed as increase in calcium flux by Fura-2AM dye based fluorescence plate reader assay
50017332	2	ChEMBL_2236097 (CHEMBL5149869)	Agonist activity at human TRPC5 stably expressed in HEK293 cells assessed as increase in calcium flux by Fura-2AM dye based fluorescence plate reader assay
50017333	1	ChEMBL_2236109 (CHEMBL5149881)	Inhibition of biotin-linker-Beclin 1 BH3 peptide binding to human C-terminal 6His-tagged Bcl-2 (1 to 218 residues) expressed in Escherichia coli BL21 Star (DE3) pLysS measured after 3 hrs by AlphaLISA assay
50017333	2	ChEMBL_2236110 (CHEMBL5149882)	Inhibition of biotin-linker-Bax BH3 peptide binding to human C-terminal 6His-tagged Bcl-2 (1 to 218 residues) expressed in Escherichia coli BL21 Star (DE3) pLysS measured after 3 hrs by AlphaLISA assay
50017337	1	ChEMBL_2236118 (CHEMBL5149890)	Agonist activity at human 5-HT2A receptor assessed as activation of calcium mobilization incubated for 2 mins by Calcium-6 dye based FLIPR assay
50017338	1	ChEMBL_2236121 (CHEMBL5149893)	Inhibition of His6-tagged BAZ2A (unknown origin) (1796 to 1899 residues) using H3K(Ac)14 substrate by AlphaScreen assay
50017338	2	ChEMBL_2236122 (CHEMBL5149894)	Binding affinity to His6-tagged BAZ2A (unknown origin) (1796 to 1899 residues) by isothermal titration calorimetry assay
50017340	1	ChEMBL_2236132 (CHEMBL5149904)	Inhibition of recombinant human isoQC using H-Gln-AMC hydrobromide as fluorogenic substrate incubated for 6 hrs by fluorometric microplate reader analysis
50017340	2	ChEMBL_2236133 (CHEMBL5149905)	Inhibition of recombinant human QC using H-Gln-AMC hydrobromide as fluorogenic substrate incubated for 6 hrs by fluorometric microplate reader analysis
50017341	1	ChEMBL_2236151 (CHEMBL5149923)	Induction of estrogen receptor alpha degradation in human MCF7 cells incubated for 4 hrs by Alexa-488 dye based in-cell western assay
50017345	1	ChEMBL_2236171 (CHEMBL5149943)	Inhibition of recombinant SARS-CoV-2 Main protease using TAMRA-SITSAVLQSGFRKMK-DABCYL-OH fluorogenic peptide as substrate preincubated or 30 mins followed by substrate addition by FRET assay
50017346	1	ChEMBL_2236174 (CHEMBL5149946)	Binding affinity to GST-tagged YTHDF2 m6A-reader domain (unknown origin) using RRACH-containing methylated oligoRNA incubated for 3 hrs by HTRF assay
50017346	2	ChEMBL_2236175 (CHEMBL5149947)	Binding affinity to GST-tagged YTHDC1 m6A-reader domain (unknown origin) using RRACH-containing methylated oligoRNA incubated for 3 hrs by HTRF assay
50017346	3	ChEMBL_2236176 (CHEMBL5149948)	Binding affinity to GST-tagged YTHDF1 m6A-reader domain (unknown origin) using RRACH-containing methylated oligoRNA incubated for 3 hrs by HTRF assay
50017346	4	ChEMBL_2236177 (CHEMBL5149949)	Binding affinity to GST-tagged YTHDF3 m6A-reader domain (unknown origin) using RRACH-containing methylated oligoRNA incubated for 3 hrs by HTRF assay
50017347	1	ChEMBL_2236190 (CHEMBL5150086)	Inhibition of HDAC in human HeLa nuclear extract measured after 30 mins by fluorescence based assay
50017347	2	ChEMBL_2236196 (CHEMBL5150092)	Binding affinity to Src (unknown origin) assessed as inhibition constant
50017347	3	ChEMBL_2236200 (CHEMBL5150096)	Binding affinity to Sphk1 (unknown origin) assessed as inhibition constant
50017347	4	ChEMBL_2236201 (CHEMBL5150097)	Binding affinity to Sphk2 (unknown origin) assessed as inhibition constant
50017347	5	ChEMBL_2236228 (CHEMBL5150124)	Inhibition of CDK1 in human A549 cells
50017347	6	ChEMBL_2236229 (CHEMBL5150125)	Inhibition of CDK2 in human A549 cells
50017347	7	ChEMBL_2236230 (CHEMBL5150126)	Inhibition of CDK3 in human A549 cells
50017349	1	ChEMBL_2236231 (CHEMBL5150127)	Binding affinity to GDP-bound KRAS G12V RAS mutant (unknown origin)
50017349	2	ChEMBL_2236233 (CHEMBL5150129)	Binding affinity to GDP-bound KRAS G12D mutant (unknown origin) assessed as dissociation constant
50017349	3	ChEMBL_2236235 (CHEMBL5150131)	Binding affinity to KRAS (unknown origin) assessed as dissociation constant
50017349	4	ChEMBL_2236238 (CHEMBL5150134)	Inhibition of KRAS G12C mutant (unknown origin)
50017349	5	ChEMBL_2236242 (CHEMBL5150138)	Inhibition of human p21 h-RAS assessed as reduction in C-Cdc25 stimulated nucleotide exchange by luminescence spectrometer based analysis
50017349	6	ChEMBL_2236256 (CHEMBL5150152)	Antiproliferative activity against human COLO 320DM cells harboring wild type KRAS assessed as reduction in cell viability incubated for 24 hrs in presence of MVA
50017349	7	ChEMBL_2236257 (CHEMBL5150153)	Displacement of M [3H] farnesyl diphosphate from human PFTase expressed in Escherichia coli
50017349	8	ChEMBL_2236258 (CHEMBL5150154)	Inhibition of [35S]methionine labelled HRAS in rat Rat1 cells by immunoprecipitation analysis
50017349	9	ChEMBL_2236259 (CHEMBL5150155)	Binding affinity to NRAS (unknown origin) assessed as inhibition constant
50017349	10	ChEMBL_2236260 (CHEMBL5150156)	Binding affinity to HRAS (unknown origin) assessed as inhibition constant
50017349	11	ChEMBL_2236267 (CHEMBL5150163)	Inhibition of KRAS G12V mutant (unknown origin) expressed in mouse NIH3T3 cells assessed as inhibition of post-translational modification processing
50017349	12	ChEMBL_2236272 (CHEMBL5150168)	Inhibition of HRAS (unknown origin) transfected in BALB/c nude mouse incubated for 3 days measured by immunoblot analysis
50017349	13	ChEMBL_2236281 (CHEMBL5150177)	Inhibition of K-Ras (unknown origin) geranylgeranylation
50017349	14	ChEMBL_2236282 (CHEMBL5150178)	Inhibition of K-Ras (unknown origin) farnesylation
50017349	15	ChEMBL_2236283 (CHEMBL5150179)	Inhibition of HRAS (unknown origin) farnesylation
50017349	16	ChEMBL_2236313 (CHEMBL5150209)	Inhibition of recombinant full length FLAG tagged KRAS G12C mutant (1 to 169 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)
50017349	17	ChEMBL_2236314 (CHEMBL5150210)	Inhibition of KRAS (unknown origin) dependent signal transduction
50017350	1	ChEMBL_2236325 (CHEMBL5150221)	Inhibition of BACE1 (unknown origin)
50017350	2	ChEMBL_2236326 (CHEMBL5150222)	Binding affinity to human ERG assessed as inhibition constant
50017350	3	ChEMBL_2236358 (CHEMBL5150254)	Inhibition of human CCR1 transfected in CHO cells incubated for 1 hr in presence of 125I-chemokine by radioactivity based assay
50017352	1	ChEMBL_2236365 (CHEMBL5150261)	Inhibition of human ALDH1A1 using propionaldehyde as substrate in presence of NAD+ by UV-visible spectrophometric analysis
50017352	2	ChEMBL_2236366 (CHEMBL5150262)	Inhibition of recombinant human ALDH1A1 using propionaldehyde as a substrate incubated for 15 mins followed by substrate addition by fluorescence based spectrophotometric analysis
50017352	3	ChEMBL_2236372 (CHEMBL5150268)	Inhibition of human ALDH1A1 expressed in Escherichia coli BL21(DE3) pLys cell in presence of NAD+ by fluorescence based assay
50017352	4	ChEMBL_2236373 (CHEMBL5150269)	Inhibition of human ALDH1A3 expressed in Escherichia coli BL21(DE3) pLys cell in presence of NAD+ by fluorescence based assay
50017352	5	ChEMBL_2236374 (CHEMBL5150270)	Inhibition of ALDH1A1 (unknown origin)
50017352	6	ChEMBL_2236378 (CHEMBL5150274)	Inhibition of human ALDH1A1
50017352	7	ChEMBL_2236379 (CHEMBL5150275)	Inhibition of human ALDH2
50017352	8	ChEMBL_2236380 (CHEMBL5150276)	Inhibition of human ALDH1B1
50017353	1	ChEMBL_2236381 (CHEMBL5150277)	Inhibition of JAK1 (unknown origin)
50017353	2	ChEMBL_2236382 (CHEMBL5150278)	Inhibition of human recombinant GSK3alpha
50017353	3	ChEMBL_2236383 (CHEMBL5150279)	Inhibition of human GSK3
50017353	4	ChEMBL_2236385 (CHEMBL5150281)	Inhibition of JAK1 (unknown origin) assessed as inhibition constant
50017353	5	ChEMBL_2236386 (CHEMBL5150282)	Inhibition of JAK2 (unknown origin)
50017353	6	ChEMBL_2236387 (CHEMBL5150283)	Inhibition of JAK3 (unknown origin)
50017353	7	ChEMBL_2236388 (CHEMBL5150284)	Inhibition of TYK2 (unknown origin)
50017353	8	ChEMBL_2236389 (CHEMBL5150285)	Reversible inhibition of JAK1 (unknown origin)
50017353	9	ChEMBL_2236390 (CHEMBL5150286)	Reversible inhibition of JAK2 (unknown origin)
50017353	10	ChEMBL_2236391 (CHEMBL5150287)	Inhibition of FLT3 (unknown origin)
50017353	11	ChEMBL_2236392 (CHEMBL5150288)	Inhibition of RET (unknown origin)
50017353	12	ChEMBL_2236393 (CHEMBL5150289)	Inhibition of human JAK3
50017353	13	ChEMBL_2236394 (CHEMBL5150290)	Inhibition of human TBK1
50017353	14	ChEMBL_2236395 (CHEMBL5150291)	Inhibition of BTK (unknown origin)
50017353	15	ChEMBL_2236396 (CHEMBL5150292)	Inhibition of ROCK1 (unknown origin)
50017353	16	ChEMBL_2236397 (CHEMBL5150293)	Inhibition of ROCK2 (unknown origin)
50017353	17	ChEMBL_2236398 (CHEMBL5150294)	Competitive inhibition of SYK (unknown origin) assessed as inhibition constant in the presence of ATP at Km concentration
50017353	18	ChEMBL_2236399 (CHEMBL5150295)	Inhibition of mTOR (unknown origin) activation
50017353	19	ChEMBL_2236401 (CHEMBL5150297)	Inhibition of recombinant human full length P13Kdelta expressed in Sf9 cells assessed as reduction in ATP-dependent phosphorylation by chromatography method
50017353	20	ChEMBL_2236402 (CHEMBL5150298)	Inhibition of human PI3K alpha
50017353	21	ChEMBL_2236403 (CHEMBL5150299)	Inhibition of human PI3K beta
50017353	22	ChEMBL_2236404 (CHEMBL5150300)	Inhibition of human PI3Kgamma
50017353	23	ChEMBL_2236405 (CHEMBL5150301)	Inhibition of human FLT3
50017353	24	ChEMBL_2236406 (CHEMBL5150302)	Inhibition of ASK1 (unknown origin)
50017353	25	ChEMBL_2236407 (CHEMBL5150303)	Inhibition of ASK1 (unknown origin) in presence of ATP
50017353	26	ChEMBL_2236408 (CHEMBL5150304)	Inhibition of IRAK4 (unknown origin)
50017353	27	ChEMBL_2236409 (CHEMBL5150305)	Inhibition of human GSK3beta
50017353	28	ChEMBL_2236410 (CHEMBL5150306)	Inhibition of GSK3alpha (unknown origin)
50017353	29	ChEMBL_2236411 (CHEMBL5150307)	Inhibition of GSK3beta (unknown origin)
50017353	30	ChEMBL_2236412 (CHEMBL5150308)	Inhibition of CDK5 (unknown origin)
50017353	31	ChEMBL_2236413 (CHEMBL5150309)	Inhibition of human recombinant GSK3beta
50017353	32	ChEMBL_2236415 (CHEMBL5150311)	Inhibition of GSK3alpha (unknown origin) by ADP-glo analysis
50017353	33	ChEMBL_2236416 (CHEMBL5150312)	Inhibition of human MK2
50017353	34	ChEMBL_2236417 (CHEMBL5150313)	Inhibition of JNK1 (unknown origin)
50017353	35	ChEMBL_2236418 (CHEMBL5150314)	Inhibition of JNK2 (unknown origin)
50017353	36	ChEMBL_2236419 (CHEMBL5150315)	Inhibition of JNK3 (unknown origin)
50017353	37	ChEMBL_2236420 (CHEMBL5150316)	Inhibition of KHK (unknown origin)
50017353	38	ChEMBL_2236421 (CHEMBL5150317)	Inhibition of GRK2 (unknown origin)
50017353	39	ChEMBL_2236422 (CHEMBL5150318)	Inhibition of GRK2 (unknown origin) in presence of ATP at 5 uM
50017353	40	ChEMBL_2236423 (CHEMBL5150319)	Inhibition of GRK1 (unknown origin)
50017353	41	ChEMBL_2236424 (CHEMBL5150320)	Inhibition of GRK5 (unknown origin)
50017353	42	ChEMBL_2236425 (CHEMBL5150321)	Inhibition of GRK6 (unknown origin)
50017353	43	ChEMBL_2236426 (CHEMBL5150322)	Inhibition of GRK7 (unknown origin)
50017353	44	ChEMBL_2236427 (CHEMBL5150323)	Inhibition of PKC (unknown origin)
50017353	45	ChEMBL_2236429 (CHEMBL5150325)	Inhibition of GRK3 (unknown origin)
50017353	46	ChEMBL_2236430 (CHEMBL5150326)	Inhibition of NIK (unknown origin)
50017353	47	ChEMBL_2236434 (CHEMBL5150330)	Inhibition of CDC7 (unknown origin)
50017353	48	ChEMBL_2236436 (CHEMBL5150332)	Inhibition of CDK2 (unknown origin)
50017353	49	ChEMBL_2236437 (CHEMBL5150333)	Inhibition of CDC2 (unknown origin)
50017353	50	ChEMBL_2236438 (CHEMBL5150334)	Competitive binding affinity to EphA4 ligand binding domain (unknown origin) using FITC-labelled EphA4 (KYLPYWPVLSSL) as a substrate assessed as inhibition constant preincubated with compound for 10 mins followed by substrate addition measured after 30 mins by fluorescence polarization assay
50017353	51	ChEMBL_2236441 (CHEMBL5150337)	Inhibition of IGF1R (unknown origin)
50017353	52	ChEMBL_2236442 (CHEMBL5150338)	Inhibition of recombinant FAK (410 to 689 residues) (unknown origin) in presence of ATP
50017353	53	ChEMBL_2236444 (CHEMBL5150340)	Inhibition of human recombinant c-KIT
50017358	1	ChEMBL_2236468 (CHEMBL5150364)	Inhibition of Escherichia coli UPPS
50017360	1	ChEMBL_2236472 (CHEMBL5150368)	Inhibition of Staphylococcus aureus FabF
50017361	1	ChEMBL_2236512 (CHEMBL5150408)	Inhibition of EGFR in human A-431 cells membrane
50017361	2	ChEMBL_2236514 (CHEMBL5150410)	Inhibition of EGFR in human A-431 cells membrane incubated for 8 mins in presence of ATP by colorimetry assay
50017361	3	ChEMBL_2236515 (CHEMBL5150411)	Inhibition of EGF stimulated EGFR autophosphorylation in human HN5 cells incubated for 24 hrs by Western blotting analysis
50017361	4	ChEMBL_2236517 (CHEMBL5150413)	Inhibition of human wild type EGFR using pEY (4:1) as substrate
50017361	5	ChEMBL_2236518 (CHEMBL5150414)	Inhibition of EGFR L858R mutant (unknown origin) using pEY (4:1) as substrate
50017361	6	ChEMBL_2236519 (CHEMBL5150415)	Inhibition of human GST-tagged EGFR L858R/T790M double mutant using pEY (4:1) as substrate
50017361	7	ChEMBL_2236520 (CHEMBL5150416)	Inhibition of HER2 (unknown origin) using pEY (4:1) as substrate
50017361	8	ChEMBL_2236521 (CHEMBL5150417)	Inhibition of EGFR DEL19 mutant in human HCC827 cells
50017361	9	ChEMBL_2236522 (CHEMBL5150418)	Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells
50017361	10	ChEMBL_2236523 (CHEMBL5150419)	Inhibition of GST-tagged EGFR (unknown origin) expressed in insect cells by ELISA
50017361	11	ChEMBL_2236524 (CHEMBL5150420)	Inhibition of GST-tagged ERBB2 (unknown origin) expressed in insect cells by ELISA
50017361	12	ChEMBL_2236525 (CHEMBL5150421)	Inhibition of GST-tagged ERBB4 (unknown origin) expressed in insect cells by ELISA
50017361	13	ChEMBL_2236526 (CHEMBL5150422)	Inhibition of HER2 (unknown origin)
50017361	14	ChEMBL_2236527 (CHEMBL5150423)	Inhibition of EGFR (unknown origin)
50017361	15	ChEMBL_2236528 (CHEMBL5150424)	Inhibition of VEGFR2 (unknown origin) by ELISA
50017361	16	ChEMBL_2236529 (CHEMBL5150425)	Inhibition of VEGFR3 (unknown origin) by ELISA
50017361	17	ChEMBL_2236530 (CHEMBL5150426)	Inhibition of HER1 (unknown origin) by ELISA
50017361	18	ChEMBL_2236533 (CHEMBL5150429)	Inhibition of p110delta (unknown origin)
50017361	19	ChEMBL_2236534 (CHEMBL5150430)	Inhibition of p110gamma (unknown origin)
50017361	20	ChEMBL_2236535 (CHEMBL5150431)	Inhibition of CDK4 (unknown origin)
50017361	21	ChEMBL_2236536 (CHEMBL5150432)	Inhibition of CDK6 (unknown origin)
50017361	22	ChEMBL_2236542 (CHEMBL5150438)	Inhibition of TRKA (unknown origin)
50017361	23	ChEMBL_2236543 (CHEMBL5150439)	Inhibition of TRKB (unknown origin)
50017361	24	ChEMBL_2236544 (CHEMBL5150440)	Inhibition of TRKC (unknown origin)
50017361	25	ChEMBL_2236545 (CHEMBL5150441)	Inhibition of TNK2 (unknown origin)
50017361	26	ChEMBL_2236548 (CHEMBL5150444)	Inhibition of BTK in human DOHH-2 cells preincubated for 1 hr followed by compound washout and anti-IgG stimulation for 2 mins by chemiluminescence based Western blotting analysis
50017361	27	ChEMBL_2236549 (CHEMBL5150445)	Inhibition of BTK autophosphorylation in anti-IgG stimulated human DOHH-2 cells preincubated for 1 hr followed by compound washout and anti-IgG stimulation for 2 mins by chemiluminescence based Western blotting analysis
50017361	28	ChEMBL_2236553 (CHEMBL5150449)	Inhibition of DHFR (unknown origin) at pH 6.7
50017361	29	ChEMBL_2236554 (CHEMBL5150450)	Inhibition of thymidylate synthase (unknown origin) assessed as inhibition constant
50017361	30	ChEMBL_2236555 (CHEMBL5150451)	Inhibition of DHFR (unknown origin) assessed as inhibition constant
50017361	31	ChEMBL_2236556 (CHEMBL5150452)	Inhibition of GARFT (unknown origin) assessed as inhibition constant
50017362	1	ChEMBL_2236557 (CHEMBL5150453)	Inhibition of amyloid beta (unknown origin) incubated for 7 days by sandwich ELISA
50017362	2	ChEMBL_2236558 (CHEMBL5150454)	Inhibition of amyloid beta 40 (unknown origin) assessed as disaggregation of fibrillar amyloid beta 40 incubated for 3 days by ELISA assay
50017362	3	ChEMBL_2236559 (CHEMBL5150455)	Inhibition of amyloid beta 42 transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay
50017362	4	ChEMBL_2236561 (CHEMBL5150457)	Inhibition of amyloid beta 40 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay
50017362	5	ChEMBL_2236562 (CHEMBL5150458)	Inhibition of amyloid beta 42 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay
50017362	6	ChEMBL_2236563 (CHEMBL5150459)	Inhibition of tau (unknown origin) transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay
50017363	1	ChEMBL_2236619 (CHEMBL5150515)	Inhibition of human leukocyte elastase
50017363	2	ChEMBL_2236620 (CHEMBL5150516)	Inhibition of human neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-pnitroanilide as substrate by spectrophotometric analysis
50017363	3	ChEMBL_2236626 (CHEMBL5150522)	Inhibition of JAK1 (unknown origin)
50017363	4	ChEMBL_2236627 (CHEMBL5150523)	Inhibition of human JAK2 (835 to 1132 residues)
50017363	5	ChEMBL_2236628 (CHEMBL5150524)	Inhibition of JAK3 (unknown origin)
50017363	6	ChEMBL_2236629 (CHEMBL5150525)	Inhibition of TYK2 (unknown origin)
50017363	7	ChEMBL_2236631 (CHEMBL5150527)	Inhibition of IKK2 (unknown origin)
50017363	8	ChEMBL_2236632 (CHEMBL5150528)	Inhibition of FynT (unknown origin)
50017364	1	ChEMBL_2236847 (CHEMBL5150743)	Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate incubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader based analysis
50017364	2	ChEMBL_2236849 (CHEMBL5150745)	Inhibition of PTP1B (unknown origin)
50017365	1	ChEMBL_2236910 (CHEMBL5150806)	Inhibition of KIT (unknown origin)
50017365	2	ChEMBL_2236911 (CHEMBL5150807)	Inhibition of CSF1R (unknown origin)
50017365	3	ChEMBL_2236912 (CHEMBL5150808)	Inhibition of FLT3-ITD (unknown origin)
50017365	4	ChEMBL_2236920 (CHEMBL5150816)	Inhibition of FLT3 (unknown origin) phosphorylation
50017365	5	ChEMBL_2236922 (CHEMBL5150818)	Binding affinity to FLT3-ITD (unknown origin) assessed as dissociation constant
50017365	6	ChEMBL_2236923 (CHEMBL5150819)	Binding affinity to FLT3-TKD-D835H mutant (unknown origin) assessed as dissociation constant
50017365	7	ChEMBL_2236924 (CHEMBL5150820)	Binding affinity to FLT3-TKD-D835V mutant (unknown origin) assessed as dissociation constant
50017365	8	ChEMBL_2236925 (CHEMBL5150821)	Binding affinity to FLT3-TKD-D835Y mutant (unknown origin) assessed as dissociation constant
50017365	9	ChEMBL_2236926 (CHEMBL5150822)	Binding affinity to FLT3-K663Q mutant (unknown origin) assessed as dissociation constant
50017365	10	ChEMBL_2236927 (CHEMBL5150823)	Binding affinity to FLT3-N841I mutant (unknown origin) assessed as dissociation constant
50017365	11	ChEMBL_2236928 (CHEMBL5150824)	Binding affinity to FLT3-R834Q mutant (unknown origin) assessed as dissociation constant
50017365	12	ChEMBL_2236929 (CHEMBL5150825)	Binding affinity to FLT3-ITD-D835V mutant (unknown origin) assessed as dissociation constant
50017365	13	ChEMBL_2236938 (CHEMBL5150834)	Inhibition of FLT3 (unknown origin)
50017365	14	ChEMBL_2236939 (CHEMBL5150835)	Inhibition of AXL (unknown origin)
50017365	15	ChEMBL_2236941 (CHEMBL5150837)	Inhibition of ALK (unknown origin)
50017365	16	ChEMBL_2236943 (CHEMBL5150839)	Inhibition of JAK1 (unknown origin)
50017365	17	ChEMBL_2236944 (CHEMBL5150840)	Inhibition of JAK3 (unknown origin)
50017365	18	ChEMBL_2236945 (CHEMBL5150841)	Inhibition of TYK2 (unknown origin)
50017365	19	ChEMBL_2236946 (CHEMBL5150842)	Inhibition of CDK4 (unknown origin)
50017365	20	ChEMBL_2236947 (CHEMBL5150843)	Inhibition of CDK6 (unknown origin)
50017365	21	ChEMBL_2236948 (CHEMBL5150844)	Inhibition of CDK2 (unknown origin)
50017365	22	ChEMBL_2236949 (CHEMBL5150845)	Inhibition of IRAK1 (unknown origin)
50017365	23	ChEMBL_2236950 (CHEMBL5150846)	Inhibition of IRAK4 (unknown origin)
50017365	24	ChEMBL_2236951 (CHEMBL5150847)	Inhibition of ABL1 (unknown origin)
50017365	25	ChEMBL_2236952 (CHEMBL5150848)	Inhibition of CHK2 (unknown origin)
50017365	26	ChEMBL_2236953 (CHEMBL5150849)	Inhibition of DDR1 (unknown origin)
50017365	27	ChEMBL_2236954 (CHEMBL5150850)	Inhibition of FGR (unknown origin)
50017365	28	ChEMBL_2236955 (CHEMBL5150851)	Inhibition of FLT4 (unknown origin)
50017365	29	ChEMBL_2236956 (CHEMBL5150852)	Inhibition of VEGFR2 (unknown origin)
50017365	30	ChEMBL_2236957 (CHEMBL5150853)	Inhibition of PDGFR alpha (unknown origin)
50017365	31	ChEMBL_2236958 (CHEMBL5150854)	Inhibition of TrkC (unknown origin)
50017365	32	ChEMBL_2236959 (CHEMBL5150855)	Binding affinity to FLT3 (unknown origin) assessed as dissociation constant
50017365	33	ChEMBL_2236960 (CHEMBL5150856)	Binding affinity to Aurora A (unknown origin) assessed as dissociation constant
50017365	34	ChEMBL_2236961 (CHEMBL5150857)	Binding affinity to Aurora B (unknown origin) assessed as dissociation constant
50017365	35	ChEMBL_2236962 (CHEMBL5150858)	Inhibition of FLT3 (unknown origin) in presence of ATP
50017365	36	ChEMBL_2236963 (CHEMBL5150859)	Inhibition of AXL (unknown origin) in presence of ATP
50017365	37	ChEMBL_2236966 (CHEMBL5150862)	Inhibition of LTK (unknown origin) in presence of ATP
50017365	38	ChEMBL_2236967 (CHEMBL5150863)	Inhibition of ALK (unknown origin) in presence of ATP
50017365	39	ChEMBL_2236979 (CHEMBL5150875)	Binding affinity to FLT3-D835Y mutant (unknown origin) assessed as dissociation constant
50017365	40	ChEMBL_2236980 (CHEMBL5150876)	Binding affinity to FLT3-D835H mutant (unknown origin) assessed as dissociation constant
50017372	1	ChEMBL_2236981 (CHEMBL5150877)	Inhibition of VEGFR-2 (unknown origin) preincubated for 20 mins followed 33P ATP addition and measured after 120 min by hotspot assay
50017372	2	ChEMBL_2236982 (CHEMBL5150878)	Inhibition of VEGFR-2 (unknown origin)
50017372	3	ChEMBL_2236983 (CHEMBL5150879)	Inhibition of PDGFR beta (unknown origin)
50017372	4	ChEMBL_2236984 (CHEMBL5150880)	Inhibition of c-Met (unknown origin)
50017372	5	ChEMBL_2236985 (CHEMBL5150881)	Inhibition of PDGFR-beta (unknown origin) preincubated for 20 mins followed 33P ATP addition and measured after 120 min by hotspot assay
50017372	6	ChEMBL_2236987 (CHEMBL5150883)	Inhibition of VEGFR-2 (unknown origin) induced tube formation in HUVECs cocultured with fibroblasts measured after 11 days with media renewing every 3 days by staining based analysis
50017372	7	ChEMBL_2236990 (CHEMBL5150886)	Inhibition of EGFR (unknown origin) by colorimetric assay
50017372	8	ChEMBL_2236992 (CHEMBL5150888)	Inhibition of CDK4 (unknown origin) by HotSpotM assay
50017372	9	ChEMBL_2236995 (CHEMBL5150891)	Inhibition of CDK2 (unknown origin)
50017372	10	ChEMBL_2236998 (CHEMBL5150894)	Inhibition of BCL2 (unknown origin)
50017372	11	ChEMBL_2236999 (CHEMBL5150895)	Inhibition of GSK-3 beta (unknown origin)
50017372	12	ChEMBL_2237002 (CHEMBL5150898)	Binding affinity to human PAK4 (300 to 591 residues) assessed as dissociation constant by isothermal calorimetric analysis
50017372	13	ChEMBL_2237003 (CHEMBL5150899)	Inhibition of human PAK4 expressed in TR-293-KDG cells assessed as inhibition of GEFH1 phosphorylation at S180 using GEFH1 as substrate incubated for 3 hrs by ELISA
50017372	14	ChEMBL_2237004 (CHEMBL5150900)	Inhibition of PAK4 (unknown origin)
50017372	15	ChEMBL_2237005 (CHEMBL5150901)	Inhibition of PIM1 (unknown origin)
50017372	16	ChEMBL_2237009 (CHEMBL5150905)	Inhibition of Aurora A (unknown origin) by SelectScreen kinase assay
50017372	17	ChEMBL_2237010 (CHEMBL5150906)	Inhibition of PDK1 (unknown origin) by SelectScreen kinase assay
50017377	1	ChEMBL_2237011 (CHEMBL5150907)	Inhibition of BTK (unknown origin) incubated for 60 mins by ADP-Glo kinase assay
50017377	2	ChEMBL_2237018 (CHEMBL5150914)	Inhibition of recombinant human wild type BTK using Poly(Glu4,Tyr1) and ATP as substrate measured after 2 hrs by ADP-Glo kinase assay
50017377	3	ChEMBL_2237025 (CHEMBL5150921)	Inhibition of BTK (unknown origin) incubated for 40 mins by radiometric assay
50017377	4	ChEMBL_2237028 (CHEMBL5150924)	Inhibition of BTK (unknown origin) using Poly(Glu4,Tyr1) as substrate in presence of ATP by radiometric kinase assay
50017377	5	ChEMBL_2237029 (CHEMBL5150925)	Inhibition of BCR-ABL (unknown origin) using peptide GGEAIYAAPFKK as substrate
50017377	6	ChEMBL_2237031 (CHEMBL5150927)	Inhibition of BTK (unknown origin) incubated for 10 mins by caliper mobility shift assay
50017377	7	ChEMBL_2237039 (CHEMBL5150935)	Inhibition of BTK (unknown origin) using Poly(Glu4,Tyr1) as substrate in presence of ATP
50017377	8	ChEMBL_2237043 (CHEMBL5150939)	Inhibition of human ERG
50017377	9	ChEMBL_2237044 (CHEMBL5150940)	Inhibition EGFR (unknown origin) expressed in baculovirus expression system by ELISA
50017378	1	ChEMBL_2237046 (CHEMBL5150942)	Inhibition of SARS-Cov-2 Main protease
50017378	2	ChEMBL_2237047 (CHEMBL5150943)	Inhibition of recombinant SARS-CoV-2 Main protease
50017378	3	ChEMBL_2237052 (CHEMBL5150948)	Inhibition of human Calpain I assessed as dissociation constant using Suc-Leu-Tyr-AMC as substrate preincubated for 15 mins followed by compound addition and measured after 40 mins by SDS-PAGE based HPLC analysis
50017378	4	ChEMBL_2237053 (CHEMBL5150949)	Inhibition of human Cathepsin B assessed as inhibition constant
50017378	5	ChEMBL_2237054 (CHEMBL5150950)	Inhibition of human Cathepsin K assessed as inhibition constant
50017378	6	ChEMBL_2237055 (CHEMBL5150951)	Inhibition of human Cathepsin L assessed as inhibition constant
50017378	7	ChEMBL_2237056 (CHEMBL5150952)	Inhibition of human Cathepsin S assessed as inhibition constant
50017378	8	ChEMBL_2237059 (CHEMBL5150955)	Inhibition of Calpain I (unknown origin) assessed as inhibition constant
50017378	9	ChEMBL_2237060 (CHEMBL5150956)	Binding affinity to bovine brain membrane BzR assessed as inhibition constant
50017378	10	ChEMBL_2237064 (CHEMBL5150960)	Displacement of [3H]-PK11195 from rat kidney mitochondrial membrane TSPO receptor assessed as inhibition constant
50017378	11	ChEMBL_2237065 (CHEMBL5150961)	Binding affinity rat kidney mitochondrial membrane TSPO receptor assessed as inhibition constant
50017378	12	ChEMBL_2237067 (CHEMBL5150963)	Displacement of [3H] PK11195 from TSPO (unknown origin) assessed as inhibition constant
50017378	13	ChEMBL_2237068 (CHEMBL5150964)	Inhibition of MDM2 (unknown origin) by ELISA
50017378	14	ChEMBL_2237069 (CHEMBL5150965)	Displacement of [3H] PK11195 from TSPO in human U-87 MGcell membrane assessed as inhibition constant
50017378	15	ChEMBL_2237070 (CHEMBL5150966)	Inhibition of MDM2 in human U-87 MG cells incubated for 15 mins
50017378	16	ChEMBL_2237079 (CHEMBL5150975)	Inhibition of human non pancreatic secretory phospholipase A2 incubated for 30 mins by plate reader analysis
50017378	17	ChEMBL_2237080 (CHEMBL5150976)	Inhibition of human group IIA phospholipase A2 incubated for 1 hrs by scintillation counter analysis
50017378	18	ChEMBL_2237081 (CHEMBL5150977)	Inhibition of human group IB phospholipase A2 incubated for 1 hrs by scintillation counter analysis
50017378	19	ChEMBL_2237082 (CHEMBL5150978)	Inhibition of pig group IB phospholipase A2 incubated for 1 hrs by scintillation counter analysis
50017378	20	ChEMBL_2237083 (CHEMBL5150979)	Inhibition of human group IIA phospholipase A2 incubated for 30 mins by automatic plate reader analysis
50017378	21	ChEMBL_2237084 (CHEMBL5150980)	Inhibition of human group IIA phospholipase A2 preincubated with compound for 10 mins followed by enzyme addition and measured after 30 mins by PC/DOC assay
50017378	22	ChEMBL_2237085 (CHEMBL5150981)	Inhibition of human group IIE phospholipase A2 expressed in Escherichia coli BL21 cells incubated for 10 to 20 mins cells by radiometric assay
50017378	23	ChEMBL_2237086 (CHEMBL5150982)	Inhibition of human group V phospholipase A2 expressed in Escherichia coli BL21(DE3) cells incubated for 10 to 20 mins cells by radiometric assay
50017378	24	ChEMBL_2237087 (CHEMBL5150983)	Inhibition of human group IB phospholipase A2 expressed in Escherichia coli BL21 cells incubated for 10 to 20 mins cells by radiometric assay
50017378	25	ChEMBL_2237088 (CHEMBL5150984)	Inhibition of mouse group IIA phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	26	ChEMBL_2237089 (CHEMBL5150985)	Inhibition of human group IIA phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	27	ChEMBL_2237090 (CHEMBL5150986)	Inhibition of mouse group IIC phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	28	ChEMBL_2237091 (CHEMBL5150987)	Inhibition of mouse group IIE phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	29	ChEMBL_2237092 (CHEMBL5150988)	Inhibition of mouse group V phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	30	ChEMBL_2237093 (CHEMBL5150989)	Inhibition of mouse group IB phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	31	ChEMBL_2237094 (CHEMBL5150990)	Inhibition of mouse group X phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017378	32	ChEMBL_2237095 (CHEMBL5150991)	Inhibition of human group X phospholipase A2 incubated for 10 to 20 mins cells by radiometric assay
50017380	1	ChEMBL_2237096 (CHEMBL5150992)	Inhibition of C-terminal His-V5 tagged human Notum expressed in human HEK293F cells harbouring TCF/LEF luciferase reporter gene assessed as activation of Wnt signaling using WNT3A as substrate by Steady-Glo luciferase assay
50017380	2	ChEMBL_2237098 (CHEMBL5150994)	Inhibition of human CLK2
50017380	3	ChEMBL_2237099 (CHEMBL5150995)	Inhibition of human DYRK1A
50017380	4	ChEMBL_2237103 (CHEMBL5150999)	Binding affinity to recombinant human Dvl1 PDZ domain assessed as chemical shift change by 1H-15N HSQC NMR spectroscopy analysis
50017380	5	ChEMBL_2237107 (CHEMBL5151003)	Inhibition of human Notum using OPTS substrate by fluorescence based assay
50017380	6	ChEMBL_2237108 (CHEMBL5151004)	Inhibition of human Notum using OPTS substrate incubated for 1 hr by fluorescence based assay
50017380	7	ChEMBL_2237111 (CHEMBL5151007)	Inhibition of human Notum (81 to T451 residues) Cys330Ser mutant using OPTS substrate incubated for 16 hrs by fluorescence based assay
50017380	8	ChEMBL_2237112 (CHEMBL5151008)	Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant in human HEK293 cells expressing Renilla and STF reporter gene and measured after 24 hrs in presence of mouse L-Wnt3a cells by Dual-Glo luciferase reporter assay
50017380	9	ChEMBL_2237113 (CHEMBL5151009)	Binding affinity to human Notum (S81 to T451 residues) Cys330Ser mutant expressed in human HEK293T cells by SPR analysis
50017381	1	ChEMBL_2237123 (CHEMBL5151019)	Inhibition of NAE (unknown origin) mediated neddylation assessed as decrease in NEDD8-Ubcl2 adduct formation incubated for 2 hrs in presence of L-glutathione and ATP by HTRF assay
50017381	2	ChEMBL_2237124 (CHEMBL5151020)	Inhibition of NAE (unknown origin)
50017381	3	ChEMBL_2237125 (CHEMBL5151021)	Inhibition of NAE in human HCT-116 cells incubated for 1 hr by Western blot analysis
50017381	4	ChEMBL_2237127 (CHEMBL5151023)	Inhibition of hERG channel
50017383	1	ChEMBL_2237193 (CHEMBL5151089)	Inhibition of LCK (unknown origin)
50017383	2	ChEMBL_2237194 (CHEMBL5151090)	Inhibition of PI3Kgamma (unknown origin)
50017383	3	ChEMBL_2237195 (CHEMBL5151091)	Inhibition of Aurora B (unknown origin)
50017387	1	ChEMBL_2237247 (CHEMBL5151143)	Time dependent inhibition of human liver microsome CYP2C9 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	2	ChEMBL_2237248 (CHEMBL5151144)	Time dependent inhibition of human liver microsome CYP2C19 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	3	ChEMBL_2237249 (CHEMBL5151145)	Time dependent inhibition of human liver microsome CYP2D6 preincubated for 0.5 hrs in presence or absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	4	ChEMBL_2237250 (CHEMBL5151146)	Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by midazolam addition by LC-MS/MS method
50017387	5	ChEMBL_2237251 (CHEMBL5151147)	Time dependent inhibition of human liver microsome CYP3A4 preincubated for 0.5 hrs in presence or absence of NADPH followed by testosterone addition by LC-MS/MS method
50017387	6	ChEMBL_2237257 (CHEMBL5151153)	Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS method
50017387	7	ChEMBL_2237258 (CHEMBL5151154)	Time dependent inhibition of human liver microsome CYP1A2 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	8	ChEMBL_2237259 (CHEMBL5151155)	Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS method
50017387	9	ChEMBL_2237260 (CHEMBL5151156)	Time dependent inhibition of human liver microsome CYP2B6 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	10	ChEMBL_2237261 (CHEMBL5151157)	Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in presence of NADPH followed by substrate addition by LC-MS/MS method
50017387	11	ChEMBL_2237262 (CHEMBL5151158)	Time dependent inhibition of human liver microsome CYP2C8 preincubated for 0.5 hrs in absence of NADPH followed by substrate addition by LC-MS/MS method
50017387	12	ChEMBL_2237288 (CHEMBL5151184)	Agonist activity at rat KCNQ2 channel expressed in CHO cells by patch clamp method
50017387	13	ChEMBL_2237289 (CHEMBL5151185)	Agonist activity at rat KCNQ2/3 channel expressed in CHO cells by patch clamp method
50017390	1	ChEMBL_2237329 (CHEMBL5151225)	Inhibition of human c-Met phosphorylation using Z-LYTE Tyr6 Peptide as a substrate preincubated for 1 hr followed by substrate addition measured after 1 hr in presence of ATP by fluorescence based plate reader analysis
50017391	1	ChEMBL_2237421 (CHEMBL5151317)	Binding affinity to recombinant WDR5 (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by isothermal titration calorimetry
50017391	2	ChEMBL_2237422 (CHEMBL5151318)	Displacement of N-(4'-((17-(5,5-difluoro-7-(1H-pyrrol-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-15-oxo-4,7,10-trioxa-14-azaheptadecyl)carbamoyl)-4-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-6-hydroxy-4-(trifluoromethyl)nicotinamide tracer from N-/C-terminal NanoLuc-fused full-length WDR5 (unknown origin) transfected in HEK293T cells incubated for 2 hrs by NanoBRET assay
50017391	3	ChEMBL_2237423 (CHEMBL5151319)	Displacement of N-(4'-((17-(5,5-difluoro-7-(1H-pyrrol-2-yl)-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-15-oxo-4,7,10-trioxa-14-azaheptadecyl)carbamoyl)-4-(4-methylpiperazin-1-yl)-[1,1'-biphenyl]-3-yl)-6-hydroxy-4-(trifluoromethyl)nicotinamide tracer from N-/C-terminal NanoLuc-fused full-length WDR5 (unknown origin) transfected in HEK293T cell lysate incubated for 2 hrs by NanoBRET assay
50017393	1	ChEMBL_2237451 (CHEMBL5151347)	Inhibition of GST fused recombinant SIK1 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50017393	2	ChEMBL_2237452 (CHEMBL5151348)	Inhibition of GST fused recombinant SIK2 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50017393	3	ChEMBL_2237453 (CHEMBL5151349)	Inhibition of GST fused recombinant SIK3 (unknown origin) in human HEK293 cells assessed as effect on CRTC3 phosphorylation at Ser162 incubated for 1 hr in presence of ATP by autoradiography based immunoblotting analysis
50017393	4	ChEMBL_2237454 (CHEMBL5151350)	Inhibition of SIK1 (unknown origin)
50017393	5	ChEMBL_2237455 (CHEMBL5151351)	Inhibition of SIK2 (unknown origin)
50017393	6	ChEMBL_2237456 (CHEMBL5151352)	Inhibition of SIK3 (unknown origin)
50017393	7	ChEMBL_2237462 (CHEMBL5151358)	Inhibition of SIK2 (unknown origin) assessed as enzyme remaining activity by scanMAX kinase assay
50017393	8	ChEMBL_2237463 (CHEMBL5151359)	Inhibition of full length N-terminal nanoLuc-tagged human SIK2 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	9	ChEMBL_2237464 (CHEMBL5151360)	Inhibition of full length N-terminal nanoLuc-tagged human SIK3 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	10	ChEMBL_2237483 (CHEMBL5151379)	Inhibition of human SIK2 by radiometric PanQinase activity assay
50017393	11	ChEMBL_2237484 (CHEMBL5151380)	Inhibition of human SIK3 by radiometric PanQinase activity assay
50017393	12	ChEMBL_2237485 (CHEMBL5151381)	Inhibition of human SIK1 by radiometric PanQinase activity assay
50017393	13	ChEMBL_2237486 (CHEMBL5151382)	Inhibition of human MAP4K5 (KHS1) by radiometric PanQinase activity assay
50017393	14	ChEMBL_2237487 (CHEMBL5151383)	Inhibition of human PAK3 by radiometric PanQinase activity assay
50017393	15	ChEMBL_2237488 (CHEMBL5151384)	Inhibition of human PAK2 by radiometric PanQinase activity assay
50017393	16	ChEMBL_2237489 (CHEMBL5151385)	Inhibition of human NLK by radiometric PanQinase activity assay
50017393	17	ChEMBL_2237490 (CHEMBL5151386)	Inhibition of human PKN3 by radiometric PanQinase activity assay
50017393	18	ChEMBL_2237491 (CHEMBL5151387)	Inhibition of human PAK1 by radiometric PanQinase activity assay
50017393	19	ChEMBL_2237492 (CHEMBL5151388)	Inhibition of human MAP2K4 by radiometric PanQinase activity assay
50017393	20	ChEMBL_2237493 (CHEMBL5151389)	Inhibition of human TIE2 by radiometric PanQinase activity assay
50017393	21	ChEMBL_2237494 (CHEMBL5151390)	Inhibition of human MST4 by radiometric PanQinase activity assay
50017393	22	ChEMBL_2237495 (CHEMBL5151391)	Inhibition of human MELK by radiometric PanQinase activity assay
50017393	23	ChEMBL_2237496 (CHEMBL5151392)	Inhibition of full length N-terminal nanoLuc-tagged human SIK1 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	24	ChEMBL_2237497 (CHEMBL5151393)	Inhibition of full length C-terminal nanoLuc-tagged human MAP4K5 (KHS1) expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	25	ChEMBL_2237500 (CHEMBL5151396)	Inhibition of full length C-terminal nanoLuc-tagged human NLK expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	26	ChEMBL_2237501 (CHEMBL5151397)	Inhibition of full length C-terminal nanoLuc-tagged human PKN3 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	27	ChEMBL_2237504 (CHEMBL5151400)	Inhibition of full length C-terminal nanoLuc-tagged human TIE2 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	28	ChEMBL_2237505 (CHEMBL5151401)	Inhibition of full length nanoLuc-tagged human MST4 expressed in HEK293 cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer K10 by NanoBRET assay
50017393	29	ChEMBL_2237507 (CHEMBL5151403)	Inhibition of GST-tagged human SIK2 autophosphorylation measured after 30 mins in presence of [gamma33P]ATP by Western blot analysis
50017394	1	ChEMBL_2237546 (CHEMBL5151442)	Binding affinity to CypA (unknown origin) assessed as inhibition constant by isomer specific proteolysis assay
50017400	1	ChEMBL_2237559 (CHEMBL5151455)	Displacement of [3H] mepyramine from human histamine H1 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing RGS4 incubated for 60 mins by scintillation counting analysis
50017400	2	ChEMBL_2237560 (CHEMBL5151456)	Displacement of [3H]UR-DE257 from human histamine H2 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing RG-Salpha S incubated for 60 mins by scintillation counting analysis
50017400	3	ChEMBL_2237561 (CHEMBL5151457)	Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing G-alphai2 and G-beta1gamma2 incubated for 60 mins by scintillation counting analysis
50017400	4	ChEMBL_2237562 (CHEMBL5151458)	Displacement of [3H]UR-PI294 from human histamine H3 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing G-alphai2 and G-beta1gamma2 incubated for 60 mins by scintillation counting analysis
50017400	5	ChEMBL_2237563 (CHEMBL5151459)	Displacement of [3H]-histamine from human histamine H4 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing G-alphai2 and G-beta1gamma2 incubated for 60 mins by scintillation counting analysis
50017400	6	ChEMBL_2237568 (CHEMBL5151464)	Displacement of [3H]N-methylspiperone from human D2 long receptor stably expressed in HEK293T cells co-expressing luciferase and CEK incubated for 140 mins by radioligand competition binding based assay
50017400	7	ChEMBL_2237569 (CHEMBL5151465)	Displacement of [3H]N-methylspiperone from human D2 long receptor stably expressed in HEK293T cells co-expressing luciferase and CEK at high concentration incubated for 140 mins by radioligand competition binding based assay
50017400	8	ChEMBL_2237570 (CHEMBL5151466)	Displacement of [3H]N-methylspiperone from human D3 receptor stably expressed in HEK293T cells co-expressing luciferase and CEK incubated for 140 mins by radioligand competition binding based assay
50017400	9	ChEMBL_2237571 (CHEMBL5151467)	Displacement of [3H]N-methylspiperone from human D2 long receptor stably expressed in HEK293T cells co-expressing luciferase and CEK at low concentration incubated for 140 mins by radioligand competition binding based assay
50017400	10	ChEMBL_2237575 (CHEMBL5151471)	Agonist activity at human histamine H2 receptor stably expressed in HEK293T cells co-expressing ARRB2 incubated for 60 mins by beta-arrestin2 recruitment assay
50017400	11	ChEMBL_2237577 (CHEMBL5151473)	Agonist activity at human histamine H2 receptor stably expressed in HEK293T cells co-expressing NlucN-mGs/hH2R-NlucC assessed as induction of mini-Gi protein recruitment using furimazine as substrate measured for 45 mins by luminescence assay
50017400	12	ChEMBL_2237579 (CHEMBL5151475)	Agonist activity at guinea pig histamine H2 receptor stably transfected in HEK293T cells co-expressing NlucN-mGs/gpH2R-NlucC by mini-G protein recruitment assay
50017400	13	ChEMBL_2237580 (CHEMBL5151476)	Agonist activity at histamine H2 receptor in spontaneous beating guinea pig right atrium assessed as increase in heart beat
50017400	14	ChEMBL_2237582 (CHEMBL5151478)	Agonist activity at human histamine H2 receptor stably expressed in baculovirus infected Sf9 cell membrane co-expressing RG-Salpha S incubated for 90 mins by [35S]GTPgammaS binding based liquid scintillation counting method
50017400	15	ChEMBL_2237584 (CHEMBL5151480)	Agonist activity at human D2 long receptor stably expressed in HEK293T cells co-expressing ElucN-betaarr2 hD2longR-ElucC by beta-arrestin2 recruitment assay
50017400	16	ChEMBL_2237587 (CHEMBL5151483)	Agonist activity at human D3 receptor stably expressed in HEK293T cells co-expressing ElucN-betaarr2 hD3R-ElucC by beta-arrestin2 recruitment assay
50017400	17	ChEMBL_2237589 (CHEMBL5151485)	Displacement of [3H]SCH23390 from human D1 receptor stably expressed in HEK293T cells co-expressing luciferase and CEK incubated for 60 mins by scintillation counting analysis
50017400	18	ChEMBL_2237590 (CHEMBL5151486)	Displacement of [3H]N-methylspiperone from human D4.4 receptor stably expressed in HEK293T cells co-expressing ElucN-betaarr2 hD4.4R-ELuc incubated for 60 mins by scintillation counting analysis
50017400	19	ChEMBL_2237591 (CHEMBL5151487)	Displacement of [3H]SCH23390 from human D5 receptor stably expressed in HEK293T cells co-expressing luciferase and CEK incubated for 60 mins by scintillation counting analysis
50017400	20	ChEMBL_2237592 (CHEMBL5151488)	Displacement of [3H]N-methylscopolamine from human muscarinic acetylcholine M3 receptor stably expressed in CHO cells by radioligand competition binding based analysis
50017400	21	ChEMBL_2237593 (CHEMBL5151489)	Displacement of [3H]N-methylscopolamine from human muscarinic acetylcholine M1 receptor stably expressed in CHO cells by radioligand competition binding based analysis
50017400	22	ChEMBL_2237594 (CHEMBL5151490)	Displacement of [3H]N-methylscopolamine from human muscarinic acetylcholine M2 receptor stably expressed in CHO cells by radioligand competition binding based analysis
50017400	23	ChEMBL_2237595 (CHEMBL5151491)	Displacement of [3H]N-methylscopolamine from human muscarinic acetylcholine M4 receptor stably expressed in CHO cells by radioligand competition binding based analysis
50017400	24	ChEMBL_2237596 (CHEMBL5151492)	Displacement of [3H]N-methylscopolamine from human muscarinic acetylcholine M5 receptor stably expressed in CHO cells by radioligand competition binding based analysis
50017400	25	ChEMBL_2237597 (CHEMBL5151493)	Displacement of [3H]prazosin from human alpha-1A adrenergic receptor stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017400	26	ChEMBL_2237598 (CHEMBL5151494)	Displacement of [3H]RX821002 from human alpha-2A adrenergic receptor stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017400	27	ChEMBL_2237599 (CHEMBL5151495)	Displacement of [3H]CGP12177 from human beta-1 adrenergic receptor stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017400	28	ChEMBL_2237600 (CHEMBL5151496)	Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017400	29	ChEMBL_2237601 (CHEMBL5151497)	Displacement of [3H]diprenorphine from human mu-opioid receptor stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017400	30	ChEMBL_2237602 (CHEMBL5151498)	Displacement of [3H]WAY600135 from human 5HT1A stably expressed in HEK293T cell membrane incubated for 2 hrs by scintillation counting analysis
50017401	1	ChEMBL_2237608 (CHEMBL5151504)	Inhibition of PI3Kdelta (unknown origin)
50017401	2	ChEMBL_2237609 (CHEMBL5151505)	Inhibition of PI3Kgamma (unknown origin)
50017401	3	ChEMBL_2237610 (CHEMBL5151506)	Inhibition of PI3Kalpha (unknown origin)
50017401	4	ChEMBL_2237611 (CHEMBL5151507)	Inhibition of PI3Kbeta (unknown origin)
50017401	5	ChEMBL_2237616 (CHEMBL5151512)	Inhibition of PI3Kalpha in human SK-OV-3 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 30 mins
50017401	6	ChEMBL_2237617 (CHEMBL5151513)	Inhibition of PI3Kbeta in human 786-0 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 30 mins
50017401	7	ChEMBL_2237618 (CHEMBL5151514)	Inhibition of PI3Kgamma in c5a-stimulated mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 30 mins
50017401	8	ChEMBL_2237619 (CHEMBL5151515)	Inhibition of PI3Kdelta in anti-IgM-stimulated human Raji cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 30 mins
50017401	9	ChEMBL_2237620 (CHEMBL5151516)	Inhibition of PI3Kdelta in anti-FceRI-stimulated human Basophil cells degranulation incubated for 30 mins
50017401	10	ChEMBL_2237621 (CHEMBL5151517)	Inhibition of PI3Kdelta in anti-IgM-stimulated human whole blood B cell degranulation incubated for 60 mins by flow cytometry
50017401	11	ChEMBL_2237622 (CHEMBL5151518)	Inhibition of PI3Kdelta in conA-stimulated primary human T cell proliferation incubated for 1 hr by CellTiter-glo luminescent assay
50017402	1	ChEMBL_2237651 (CHEMBL5151547)	Displacement of [3H]-pirenzepine from human recombinant M1 receptor expressed in CHO cells incubated for 60 mins by topcount scintillation counter method
50017404	1	ChEMBL_2237655 (CHEMBL5151551)	Inhibition of CDK2/cyclin A (unknown origin)
50017404	2	ChEMBL_2237657 (CHEMBL5151553)	Inhibition of CDK4/cyclin D1 (unknown origin)
50017404	3	ChEMBL_2237658 (CHEMBL5151554)	Inhibition of CDK5/p35 (unknown origin)
50017404	4	ChEMBL_2237670 (CHEMBL5151566)	Inhibition of GSK3beta (unknown origin) assessed as decrease in tau phosphorylation at Ser214 residue incubated for 30 mins by Western blot assay
50017404	5	ChEMBL_2237673 (CHEMBL5151569)	Inhibition of GST-fused human CDK2/cyclin A expressed in Escherichia coli using histone H1 as substrate in presence of [33p]-gamma ATP and MgATP
50017404	6	ChEMBL_2237674 (CHEMBL5151570)	Inhibition of GSK3beta (unknown origin) in presence of ATP
50017404	7	ChEMBL_2237676 (CHEMBL5151572)	Inhibition of LCK (unknown origin) in presence of ATP
50017404	8	ChEMBL_2237677 (CHEMBL5151573)	Inhibition of SGK (unknown origin) in presence of ATP
50017404	9	ChEMBL_2237681 (CHEMBL5151577)	Inhibition of recombinant FLT3 (unknown origin) in presence of ATP by HTRF assay
50017404	10	ChEMBL_2237682 (CHEMBL5151578)	Inhibition of recombinant FLT3 D835Y mutant (unknown origin) in presence of ATP by HTRF assay
50017404	11	ChEMBL_2237705 (CHEMBL5151601)	Inhibition of Aurora A (unknown origin) by TR-FRET assay
50017404	12	ChEMBL_2237706 (CHEMBL5151602)	Inhibition of c-met (unknown origin) by TR-FRET assay
50017404	13	ChEMBL_2237707 (CHEMBL5151603)	Inhibition of ALK (unknown origin) by TR-FRET assay
50017404	14	ChEMBL_2237708 (CHEMBL5151604)	Inhibition of JAK2 (unknown origin) by TR-FRET assay
50017404	15	ChEMBL_2237709 (CHEMBL5151605)	Inhibition of recombinant FLT3 (unknown origin) by HTRF assay
50017404	16	ChEMBL_2237711 (CHEMBL5151607)	Inhibition of GST-fused CDK5/p25 (unknown origin)
50017404	17	ChEMBL_2237712 (CHEMBL5151608)	Inhibition of porcine brain GSK-3alpha/beta incubated for 30 mins in presence of [33p]-gamma ATP by scintillation counter analysis
50017404	18	ChEMBL_2237713 (CHEMBL5151609)	Inhibition of Aurora A (unknown origin)
50017404	19	ChEMBL_2237715 (CHEMBL5151611)	Inhibition of human recombinant GST-fused PDK1 expressed in Sf9 cells incubated for 30 mins in presence of [gamma-33P]ATP by scintillation counter analysis
50017404	20	ChEMBL_2237718 (CHEMBL5151614)	Inhibition of Aurora B (unknown origin)
50017404	21	ChEMBL_2237719 (CHEMBL5151615)	Inhibition of Aurora C (unknown origin)
50017404	22	ChEMBL_2237720 (CHEMBL5151616)	Inhibition of c-SRC in human MDA-MB-468 cells in presence of [gamma-32P]ATP and ATP by immunoprecipitation method
50017404	23	ChEMBL_2237730 (CHEMBL5151626)	Inhibition of RET (unknown origin)
50017404	24	ChEMBL_2237735 (CHEMBL5151631)	Inhibition of recombinant JAK1 (unknown origin)
50017404	25	ChEMBL_2237736 (CHEMBL5151632)	Inhibition of recombinant JAK2 (unknown origin)
50017404	26	ChEMBL_2237737 (CHEMBL5151633)	Inhibition of recombinant Tyk2 (unknown origin)
50017404	27	ChEMBL_2237738 (CHEMBL5151634)	Inhibition of recombinant c-Src (unknown origin)
50017404	28	ChEMBL_2237739 (CHEMBL5151635)	Inhibition of recombinant Lyn (unknown origin)
50017404	29	ChEMBL_2237740 (CHEMBL5151636)	Inhibition of recombinant Hck (unknown origin)
50017404	30	ChEMBL_2237744 (CHEMBL5151640)	Inhibition of FLT3 (unknown origin)
50017404	31	ChEMBL_2237745 (CHEMBL5151641)	Inhibition of JAK3 (unknown origin)
50017404	32	ChEMBL_2237746 (CHEMBL5151642)	Inhibition of c-met (unknown origin)
50017404	33	ChEMBL_2237752 (CHEMBL5151648)	Inhibition of GSK3beta (unknown origin)
50017404	34	ChEMBL_2237758 (CHEMBL5151654)	Inhibition of IDO1 in human Hela cells assessed as reduction in N-formylkynurenine formation incubated for 30 mins
50017404	35	ChEMBL_2237760 (CHEMBL5151656)	Inhibition of FGFR1 (unknown origin)
50017404	36	ChEMBL_2237762 (CHEMBL5151658)	Inhibition of VEGFR2 (unknown origin)
50017404	37	ChEMBL_2237763 (CHEMBL5151659)	Inhibition of GSK3 (unknown origin)
50017406	1	ChEMBL_2237778 (CHEMBL5151674)	Inhibition of His6-tagged human NIK (330 to 680 residues) S549D mutant expressed in baculovirus-infected Sf9 cells incubated for 30 mins in presence of ATP by ADP-GloTM assay
50017407	1	ChEMBL_2237801 (CHEMBL5151697)	Inhibition of human 20S immunoproteasome beta-1i subunit using (Ac-PAL)2R110 as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	2	ChEMBL_2237802 (CHEMBL5151698)	Inhibition of human 20S immunoproteasome beta-2i subunit using Ac-RLR-AMC as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	3	ChEMBL_2237803 (CHEMBL5151699)	Inhibition of human 20S immunoproteasome beta-5i subunit using Suc-LLVY-AMC as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	4	ChEMBL_2237804 (CHEMBL5151700)	Inhibition of human 20S immunoproteasome beta1 subunit using Ac-nLPnLD-AMC as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	5	ChEMBL_2237805 (CHEMBL5151701)	Inhibition of human 20S proteasome beta2 subunit using Ac-RLR-AMC as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	6	ChEMBL_2237806 (CHEMBL5151702)	Inhibition of human 20S proteasome beta5 subunit using Suc-LLVY-AMC as substrate preincubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence intensity assay
50017407	7	ChEMBL_2237808 (CHEMBL5151704)	Inhibition of 20S proteasome beta5 subunit in human A549 cells using Suc-LLVY-luciferin substrate preincubated for 2 hrs followed by substrate addition and measured after 30 mins by luminometric analysis
50017407	8	ChEMBL_2237809 (CHEMBL5151705)	Inhibition of 20S immunoproteasome beta-5i subunit in human PBMC using Ac-ANW-luciferin substrate preincubated for 2 hrs followed by substrate addition and measured after 30 mins by luminometric analysis
50017408	1	ChEMBL_2237843 (CHEMBL5151739)	Agonist activity at mouse GPR174 transfected in human HEK293FT cells co-transfected with AP-TGFalpha assessed as AP-TGFalpha release incubated for 90 mins by TGFalpha shedding assay
50017408	2	ChEMBL_2237845 (CHEMBL5151741)	Partial agonist activity at mouse GPR174 transfected in human HEK293FT cells co-transfected with AP-TGFalpha assessed as AP-TGFalpha release incubated for 90 mins by TGFalpha shedding assay
50017408	3	ChEMBL_2237847 (CHEMBL5151743)	Antagonist activity at mouse GPR174 transfected in human HEK293FT cells co-transfected with AP-TGFalpha assessed as inhibition of LysoPalloT-NH-C3-ph-m-O-C11-induced AP-TGFalpha release incubated for 90 mins by TGFalpha shedding assay
50017408	4	ChEMBL_2237849 (CHEMBL5151745)	Inverse agonist activity at mouse GPR174 transfected in human HEK293FT cells co-transfected with AP-TGFalpha assessed as inhibition of LysoPalloT-NH-C3-ph-m-O-C11-induced AP-TGFalpha release incubated for 90 mins by TGFalpha shedding assay
50017410	1	ChEMBL_2237852 (CHEMBL5151748)	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as PGH2 level preincubated for 5 mins followed by substrate addition and measured after 1 min by UHPLC-MS/MS analysis
50017411	1	ChEMBL_2237863 (CHEMBL5151759)	Agonist activity at human TAAR1 stably expressed in HEK293 cells incubated for 30 mins by cAMP assay
50017411	2	ChEMBL_2237864 (CHEMBL5151760)	Agonist activity at rat TAAR1 stably expressed in HEK293 cells incubated for 30 mins by cAMP assay
50017411	3	ChEMBL_2237865 (CHEMBL5151761)	Agonist activity at mouse TAAR1 stably expressed in HEK293 cells incubated for 30 mins by cAMP assay
50017411	4	ChEMBL_2237866 (CHEMBL5151762)	Binding affinity to sigma 1 receptor (unknown origin) assessed as dissociation constant by competitive binding assay
50017411	5	ChEMBL_2237867 (CHEMBL5151763)	Binding affinity to sigma 2 receptor (unknown origin) assessed as dissociation constant by competitive binding assay
50017412	1	ChEMBL_2237874 (CHEMBL5151770)	Inhibition of DENV NS5/RNA-dependent RNA polymerase
50017412	2	ChEMBL_2237881 (CHEMBL5151777)	Inhibition of DENV-4 NS5
50017412	3	ChEMBL_2237886 (CHEMBL5151782)	Inhibition of DENV-2 NS5
50017412	4	ChEMBL_2237887 (CHEMBL5151783)	Inhibition of full length His-tagged DENV-2 NS5 incubated for 1 hr
50017412	5	ChEMBL_2237888 (CHEMBL5151784)	Binding affinity to full length His-tagged DENV-2 NS5 assessed as dissociation constant
50017412	6	ChEMBL_2237889 (CHEMBL5151785)	Inhibition of Zika virus wild type RNA-dependent RNA polymerase using ATP as substrate
50017412	7	ChEMBL_2237897 (CHEMBL5151793)	Inhibition of DENV-2 DENV2 NS2B-NS3
50017412	8	ChEMBL_2237924 (CHEMBL5151820)	Inhibition of Zika virus RNA-dependent RNA polymerase activity
50017412	9	ChEMBL_2237934 (CHEMBL5151830)	Inhibition of Zika virus RNA-dependent RNA polymerase
50017413	1	ChEMBL_2237945 (CHEMBL5151841)	Binding affinity to N-terminal His-tagged and C-terminal Avi-tagged full length human WDR5 WIN site expressed in Escherichia coli measured upto 600 sec by Surface plasmon resonance assay
50017413	2	ChEMBL_2237947 (CHEMBL5151843)	Binding affinity to WDR5 (unknown origin) fluorescence polarization assay
50017413	3	ChEMBL_2237954 (CHEMBL5151850)	Binding affinity to human WDR5 by isothermal titration calorimetry
50017413	4	ChEMBL_2237955 (CHEMBL5151851)	Binding affinity to WDR5 (unknown origin) by isothermal titration calorimetry
50017413	5	ChEMBL_2237957 (CHEMBL5151853)	Inhibition of MLL1 (unknown origin) histone methyltransferase activity
50017413	6	ChEMBL_2237967 (CHEMBL5151863)	Binding affinity to WDR5 (unknown origin) WIN site using 10mer-Thr-FAM probe incubated for 2 hrs by fluorescence polarization assay
50017414	1	ChEMBL_2237970 (CHEMBL5151866)	Inhibition of human furin expressed in HEK293 cells using pGlu-Arg-Thr-LysArg-AMC as substrate and measured by fluorescence based assay
50017414	2	ChEMBL_2237971 (CHEMBL5151867)	Inhibition of furin (unknown origin)
50017414	3	ChEMBL_2237972 (CHEMBL5151868)	Inhibition of recombinant human furin protease
50017414	4	ChEMBL_2237973 (CHEMBL5151869)	Inhibition of recombinant human furin using Phac-Arg-Val-Arg-Arg-AMC as substrate incubated for 30 mins and measured by microplate reader method
50017414	5	ChEMBL_2237977 (CHEMBL5151873)	Inhibition of PACE4 (unknown origin)
50017414	6	ChEMBL_2237978 (CHEMBL5151874)	Inhibition of Recombinant vaccinia-expressed furin (unknown origin) using Pyr-RTKR-MCA as substrate and measured by fluorescence based assay
50017414	7	ChEMBL_2237985 (CHEMBL5151881)	Inhibition of furin (unknown origin) using Pyr-RTKR-MCA as substrate incubated for 30 mins and measured by FRET assay
50017414	8	ChEMBL_2237986 (CHEMBL5151882)	Inhibition of soluble human furin using boc-RVRR-MCA as substrate incubated for 45 mins and measured by fluorescence assay
50017414	9	ChEMBL_2237987 (CHEMBL5151883)	Inhibition of soluble recombinant human furin using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate and measured by fluorescence assay
50017414	10	ChEMBL_2237988 (CHEMBL5151884)	Inhibition of Tev-FLAG-His-tagged furin (108 to 574 residues) (unknown origin) using FAM-QRVRRAVGIDK-TAMRA as substrate and measured after 2 hrs
50017414	11	ChEMBL_2237999 (CHEMBL5151895)	Inhibition of human furin using Pyr-RTKR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence based assay
50017414	12	ChEMBL_2238001 (CHEMBL5151897)	Inhibition of human fXa using Mes-DArg-Pro-Arg-AMC as substrate and measured by fluorescence assay
50017414	13	ChEMBL_2238002 (CHEMBL5151898)	Inhibition of bovine thrombin using Tos-Gly-Pro-Arg-AMC as substrate and measured by fluorescence assay
50017414	14	ChEMBL_2238003 (CHEMBL5151899)	Inhibition of human plasmin using Mes-DArg-Phe-Arg-AMC as substrate and measured by fluorescence assay
50017415	1	ChEMBL_2238005 (CHEMBL5151901)	Inhibition of RET (unknown origin)
50017415	2	ChEMBL_2238007 (CHEMBL5151903)	Inhibition of RAF1 (unknown origin)
50017415	3	ChEMBL_2238012 (CHEMBL5151908)	Inhibition of BRAF (unknown origin)
50017415	4	ChEMBL_2238013 (CHEMBL5151909)	Inhibition of BRAF V600E (unknown origin)
50017415	5	ChEMBL_2238014 (CHEMBL5151910)	Inhibition of VEGFR1 (unknown origin)
50017415	6	ChEMBL_2238015 (CHEMBL5151911)	Inhibition of VEGFR2 (unknown origin)
50017415	7	ChEMBL_2238016 (CHEMBL5151912)	Inhibition of VEGFR3 (unknown origin)
50017415	8	ChEMBL_2238017 (CHEMBL5151913)	Inhibition of PDGFRbeta (unknown origin)
50017415	9	ChEMBL_2238018 (CHEMBL5151914)	Inhibition of FGFR1 (unknown origin)
50017415	10	ChEMBL_2238019 (CHEMBL5151915)	Inhibition of FLT3 (unknown origin)
50017415	11	ChEMBL_2238021 (CHEMBL5151917)	Inhibition of c-kit (unknown origin)
50017415	12	ChEMBL_2238022 (CHEMBL5151918)	Inhibition of RAF1 (305 to 648 residues) (unknown origin) by HTRF assay
50017415	13	ChEMBL_2238023 (CHEMBL5151919)	Inhibition of BRAF V600E (409 to 765 residues) (unknown origin) by HTRF assay
50017415	14	ChEMBL_2238024 (CHEMBL5151920)	Inhibition of RET (unknown origin) by HTRF assay
50017415	15	ChEMBL_2238025 (CHEMBL5151921)	Inhibition of BRAF (unknown origin) by HTRF assay
50017415	16	ChEMBL_2238026 (CHEMBL5151922)	Inhibition of VEGFR1 (unknown origin) by HTRF assay
50017415	17	ChEMBL_2238027 (CHEMBL5151923)	Inhibition of VEGFR2 (unknown origin) by HTRF assay
50017415	18	ChEMBL_2238028 (CHEMBL5151924)	Inhibition of VEGFR3 (unknown origin) by HTRF assay
50017415	19	ChEMBL_2238029 (CHEMBL5151925)	Inhibition of FGFR1 (unknown origin) by HTRF assay
50017415	20	ChEMBL_2238030 (CHEMBL5151926)	Inhibition of c-kit (unknown origin) by HTRF assay
50017415	21	ChEMBL_2238031 (CHEMBL5151927)	Inhibition of Tie-2 (unknown origin) by HTRF assay
50017415	22	ChEMBL_2238032 (CHEMBL5151928)	Inhibition of PDGFRalpha (unknown origin)
50017415	23	ChEMBL_2238033 (CHEMBL5151929)	Inhibition of FLT3-ITD (unknown origin)
50017415	24	ChEMBL_2238034 (CHEMBL5151930)	Inhibition of EGFR (unknown origin)
50017415	25	ChEMBL_2238035 (CHEMBL5151931)	Inhibition of RET (unknown origin) by ELISA method
50017415	26	ChEMBL_2238036 (CHEMBL5151932)	Inhibition of VEGFR1 (unknown origin) by ELISA method
50017415	27	ChEMBL_2238037 (CHEMBL5151933)	Inhibition of VEGFR2 (unknown origin) by ELISA method
50017415	28	ChEMBL_2238038 (CHEMBL5151934)	Inhibition of VEGFR3 (unknown origin) by ELISA method
50017415	29	ChEMBL_2238039 (CHEMBL5151935)	Inhibition of EGFR (unknown origin) by ELISA method
50017415	30	ChEMBL_2238040 (CHEMBL5151936)	Inhibition of PDGFRalpha (unknown origin) by ELISA method
50017415	31	ChEMBL_2238041 (CHEMBL5151937)	Inhibition of PDGFRbeta (unknown origin) by ELISA method
50017415	32	ChEMBL_2238042 (CHEMBL5151938)	Inhibition of FGFR1 (unknown origin) by ELISA method
50017415	33	ChEMBL_2238043 (CHEMBL5151939)	Inhibition of c-kit (unknown origin) by ELISA method
50017415	34	ChEMBL_2238044 (CHEMBL5151940)	Inhibition of human recombinant full length RET in presence of ATP by alphascreen assay
50017415	35	ChEMBL_2238045 (CHEMBL5151941)	Inhibition of human recombinant full length VEGFR2 in presence of ATP by alphascreen assay
50017415	36	ChEMBL_2238046 (CHEMBL5151942)	Inhibition of human recombinant full length FLT3 in presence of ATP by alphascreen assay
50017415	37	ChEMBL_2238047 (CHEMBL5151943)	Inhibition of human recombinant full length c-Kit in presence of ATP by alphascreen assay
50017415	38	ChEMBL_2238048 (CHEMBL5151944)	Inhibition of human recombinant full length c-Met in presence of ATP by alphascreen assay
50017415	39	ChEMBL_2238049 (CHEMBL5151945)	Inhibition of human recombinant full length AXL in presence of ATP by alphascreen assay
50017415	40	ChEMBL_2238050 (CHEMBL5151946)	Inhibition of human recombinant full length Tie-2 in presence of ATP by alphascreen assay
50017415	41	ChEMBL_2238054 (CHEMBL5151950)	Inhibition of RET (unknown origin) by kinase hotspot assay
50017415	42	ChEMBL_2238055 (CHEMBL5151951)	Inhibition of BCR-ABL (unknown origin) by kinase hotspot assay
50017415	43	ChEMBL_2238056 (CHEMBL5151952)	Inhibition of SRC (unknown origin) by kinase hotspot assay
50017415	44	ChEMBL_2238057 (CHEMBL5151953)	Inhibition of FLT3 (unknown origin) by kinase hotspot assay
50017415	45	ChEMBL_2238058 (CHEMBL5151954)	Inhibition of KIT (unknown origin) by kinase hotspot assay
50017415	46	ChEMBL_2238059 (CHEMBL5151955)	Inhibition of FGFR (unknown origin) by kinase hotspot assay
50017415	47	ChEMBL_2238062 (CHEMBL5151958)	Inhibition of RET V804M (unknown origin) in presence of ATP by SDS-PAGE analysis
50017415	48	ChEMBL_2238063 (CHEMBL5151959)	Inhibition of ALK (unknown origin) by TR-FRET assay
50017415	49	ChEMBL_2238064 (CHEMBL5151960)	Inhibition of ALK L1196M (unknown origin) by TR-FRET assay
50017415	50	ChEMBL_2238066 (CHEMBL5151962)	Antiproliferative activity against human NB1 cells harbouring ALK by CellTiter-Glo luminescent cell viability assay
50017415	51	ChEMBL_2238068 (CHEMBL5151964)	Inhibition of human recombinant RET using Biotin-EGPWLEEEEEAYGWMDFas substrate by TR-FRET assay
50017415	52	ChEMBL_2238069 (CHEMBL5151965)	Inhibition of human recombinant RET V804L using Biotin-EGPWLEEEEEAYGWMDF as substrate by TR-FRET assay
50017415	53	ChEMBL_2238070 (CHEMBL5151966)	Inhibition of human recombinant RET V804M using Biotin-EGPWLEEEEEAYGWMDF as substrate by TR-FRET assay
50017415	54	ChEMBL_2238071 (CHEMBL5151967)	Inhibition of human recombinant RET G691S using Biotin-EGPWLEEEEEAYGWMDF as substrate by TR-FRET assay
50017415	55	ChEMBL_2238073 (CHEMBL5151969)	Inhibition of human recombinant RET S891A using Biotin-EGPWLEEEEEAYGWMDF as substrate by TR-FRET assay
50017415	56	ChEMBL_2238074 (CHEMBL5151970)	Inhibition of human recombinant RET M918T using Biotin-EGPWLEEEEEAYGWMDF as substrate by TR-FRET assay
50017415	57	ChEMBL_2238075 (CHEMBL5151971)	Inhibition of RET (unknown origin) by FISH assay
50017415	58	ChEMBL_2238076 (CHEMBL5151972)	Inhibition of VEGFR1 (unknown origin) by FISH assay
50017415	59	ChEMBL_2238077 (CHEMBL5151973)	Inhibition of VEGFR2 (unknown origin) by FISH assay
50017415	60	ChEMBL_2238078 (CHEMBL5151974)	Inhibition of VEGFR3 (unknown origin) by FISH assay
50017415	61	ChEMBL_2238079 (CHEMBL5151975)	Inhibition of PDGFRalpha (unknown origin) by FISH assay
50017415	62	ChEMBL_2238080 (CHEMBL5151976)	Inhibition of PDGFRbeta (unknown origin) by FISH assay
50017415	63	ChEMBL_2238081 (CHEMBL5151977)	Inhibition of FGFR1 (unknown origin) by FISH assay
50017415	64	ChEMBL_2238082 (CHEMBL5151978)	Inhibition of FGFR2 (unknown origin) by FISH assay
50017415	65	ChEMBL_2238083 (CHEMBL5151979)	Inhibition of CSF1R (unknown origin) by FISH assay
50017415	66	ChEMBL_2238084 (CHEMBL5151980)	Inhibition of TRKA (unknown origin) by FISH assay
50017415	67	ChEMBL_2238085 (CHEMBL5151981)	Inhibition of TRKC (unknown origin) by FISH assay
50017415	68	ChEMBL_2238086 (CHEMBL5151982)	Inhibition of ABL1 (unknown origin) by FISH assay
50017415	69	ChEMBL_2238087 (CHEMBL5151983)	Inhibition of KIT (unknown origin) by FISH assay
50017415	70	ChEMBL_2238088 (CHEMBL5151984)	Inhibition of FGFR4 (unknown origin) by FISH assay
50017415	71	ChEMBL_2238089 (CHEMBL5151985)	Inhibition of FGFR3 (unknown origin) by FISH assay
50017415	72	ChEMBL_2238103 (CHEMBL5151999)	Binding affinity to RET (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	73	ChEMBL_2238104 (CHEMBL5152000)	Binding affinity to BRAF (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	74	ChEMBL_2238105 (CHEMBL5152001)	Binding affinity to BRAF V600E (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	75	ChEMBL_2238106 (CHEMBL5152002)	Binding affinity to CRAF (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	76	ChEMBL_2238107 (CHEMBL5152003)	Binding affinity to ABL (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	77	ChEMBL_2238108 (CHEMBL5152004)	Binding affinity to VEGFR2 (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	78	ChEMBL_2238109 (CHEMBL5152005)	Binding affinity to FLT-1 (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	79	ChEMBL_2238110 (CHEMBL5152006)	Binding affinity to C-KIT (unknown origin) assessed as dissociation constant measured by ambit kinomescan assay
50017415	80	ChEMBL_2238111 (CHEMBL5152007)	Inhibition of RET (unknown origin) by kinomescan assay
50017415	81	ChEMBL_2238112 (CHEMBL5152008)	Inhibition of CRAF (unknown origin) by kinomescan assay
50017415	82	ChEMBL_2238113 (CHEMBL5152009)	Inhibition of ABL (unknown origin) by kinomescan assay
50017415	83	ChEMBL_2238114 (CHEMBL5152010)	Inhibition of VEGFR2 (unknown origin) by kinomescan assay
50017415	84	ChEMBL_2238116 (CHEMBL5152012)	Inhibition of CCDC6-RET (unknown origin)
50017415	85	ChEMBL_2238117 (CHEMBL5152013)	Inhibition of NCOA4-RET (unknown origin)
50017415	86	ChEMBL_2238119 (CHEMBL5152015)	Inhibition of RET M918T (unknown origin)
50017415	87	ChEMBL_2238120 (CHEMBL5152016)	Inhibition of RET V804L (unknown origin)
50017415	88	ChEMBL_2238121 (CHEMBL5152017)	Inhibition of wildtype RET (unknown origin) incubated for 120 mins by Perkin Elmer electrophoretic mobility shift platform method
50017415	89	ChEMBL_2238122 (CHEMBL5152018)	Inhibition of recombinant RET V804L (unknown origin) incubated for 120 mins by Perkin Elmer electrophoretic mobility shift platform method
50017415	90	ChEMBL_2238124 (CHEMBL5152020)	Inhibition of recombinant RET M918T (unknown origin) incubated for 120 mins by Perkin Elmer electrophoretic mobility shift platform method
50017415	91	ChEMBL_2238125 (CHEMBL5152021)	Inhibition of recombinant VEGFR2 (unknown origin) incubated for 120 mins by Perkin Elmer electrophoretic mobility shift platform method
50017415	92	ChEMBL_2238126 (CHEMBL5152022)	Inhibition of recombinant CCDC6-RET (unknown origin) incubated for 120 mins by Perkin Elmer electrophoretic mobility shift platform method
50017415	93	ChEMBL_2238130 (CHEMBL5152026)	Inhibition of KIF5B-RET (unknown origin) assessed as inhibition of RET autophosphorylation expressed in mouse BaF3 cells
50017417	1	ChEMBL_2238132 (CHEMBL5152028)	Inhibition of human recombinant N-terminal 6His-6Lys-TEV tagged PARP1 full length expressed in pFastBac expression system incubated for 4 hrs by fluorescence anisotropy binding assay
50017417	2	ChEMBL_2238133 (CHEMBL5152029)	Inhibition of human recombinant N-terminal Avi-6His-TEV tagged PARP2 full length expressed in pFastBac expression system incubated for 4 hrs by fluorescence anisotropy binding assay
50017417	3	ChEMBL_2238135 (CHEMBL5152031)	Inhibition of human recombinant PARP5a (E1023 to T1327 amino acids) incubated for 4 hrs by fluorescence anisotropy binding assay
50017417	4	ChEMBL_2238137 (CHEMBL5152033)	Inhibition of human ERG
50017417	5	ChEMBL_2238143 (CHEMBL5152039)	Binding affinity to PARP1 (unknown origin) assessed as apparent dissociation constant
50017417	6	ChEMBL_2238144 (CHEMBL5152040)	Binding affinity to PARP2 (unknown origin) assessed as apparent dissociation constant
50017417	7	ChEMBL_2238145 (CHEMBL5152041)	Binding affinity to PARP3 (unknown origin) assessed as apparent dissociation constant
50017417	8	ChEMBL_2238146 (CHEMBL5152042)	Binding affinity to PARP4 (unknown origin) assessed as apparent dissociation constant
50017417	9	ChEMBL_2238147 (CHEMBL5152043)	Binding affinity to PARP5a (unknown origin) assessed as apparent dissociation constant
50017417	10	ChEMBL_2238148 (CHEMBL5152044)	Binding affinity to PARP5b (unknown origin) assessed as apparent dissociation constant
50017417	11	ChEMBL_2238150 (CHEMBL5152046)	Binding affinity to PARP8 (unknown origin) assessed as apparent dissociation constant
50017417	12	ChEMBL_2238151 (CHEMBL5152047)	Binding affinity to PARP9 (unknown origin) assessed as apparent dissociation constant
50017417	13	ChEMBL_2238152 (CHEMBL5152048)	Binding affinity to PARP10 (unknown origin) assessed as apparent dissociation constant
50017417	14	ChEMBL_2238153 (CHEMBL5152049)	Binding affinity to PARP11 (unknown origin) assessed as apparent dissociation constant
50017417	15	ChEMBL_2238154 (CHEMBL5152050)	Binding affinity to PARP12 (unknown origin) assessed as apparent dissociation constant
50017417	16	ChEMBL_2238155 (CHEMBL5152051)	Binding affinity to PARP14 (unknown origin) assessed as apparent dissociation constant
50017417	17	ChEMBL_2238156 (CHEMBL5152052)	Binding affinity to PARP16 (unknown origin) assessed as apparent dissociation constant
50017421	1	ChEMBL_2238193 (CHEMBL5152089)	Inhibition of HDAC6 (unknown origin)
50017421	2	ChEMBL_2238194 (CHEMBL5152090)	Inhibition of N terminal GST-tagged HDAC6 (unknown origin) expressed in a baculoviral system using FTS as substrate pre-incubated with compound for 10 mins followed by substrate addition
50017421	3	ChEMBL_2238195 (CHEMBL5152091)	Inhibition of human HDAC6
50017421	4	ChEMBL_2238198 (CHEMBL5152094)	Inhibition of HDAC6 (unknown origin) using FTS as substrate pre-incubated with compound for 10 mins followed by substrate addition measured after 30 mins by microtiter plate reader analysis
50017421	5	ChEMBL_2238199 (CHEMBL5152095)	Inhibition of HDAC6 (unknown origin) by microtiter plate reader analysis
50017421	6	ChEMBL_2238200 (CHEMBL5152096)	Inhibition of HDAC6 in human SH-SY5Y cells measured after 2 hrs by Western blot analysis
50017421	7	ChEMBL_2238201 (CHEMBL5152097)	Inhibition of PDE9 in human SH-SY5Y cells measured after 2 hrs by Western blot analysis
50017421	8	ChEMBL_2238202 (CHEMBL5152098)	Binding affinity to NMDAR (unknown origin) assessed as inhibition constant by [3H]MK-801 binding assay
50017421	9	ChEMBL_2238203 (CHEMBL5152099)	Inhibition of HDAC6 in human HeLa cells measured after 2 hrs by Western blot analysis
50017421	10	ChEMBL_2238204 (CHEMBL5152100)	Inhibition of PDE9A (unknown origin)
50017421	11	ChEMBL_2238205 (CHEMBL5152101)	Inhibition of AChE (unknown origin)
50017422	1	ChEMBL_2238207 (CHEMBL5152103)	Inhibition of human N-terminal flag-tag full-length wild-type HDAC4 by surface plasmon resonance assay
50017422	2	ChEMBL_2238208 (CHEMBL5152104)	Inhibition of human recombinant PDE4B by liquid scintillation counter method
50017422	3	ChEMBL_2238209 (CHEMBL5152105)	Inhibition of human PDE4 expressed in Sf9 cells by non-linear regression analysis
50017422	4	ChEMBL_2238210 (CHEMBL5152106)	Inhibition of angiotensin converting enzyme (unknown origin)
50017422	5	ChEMBL_2238211 (CHEMBL5152107)	Inhibition of MMP-9 (unknown origin)
50017422	6	ChEMBL_2238212 (CHEMBL5152108)	Inhibition of porcine TACE
50017422	7	ChEMBL_2238213 (CHEMBL5152109)	Inhibition of human ADAM10 using (7-methoxycour-marin-4-yl)-acetyl-Pro-Leu-Ala-Gln-Ala-Val-(3-[2,4-dinitrophenyl]- L -2, 3-diaminopropionyl)-Arg-Ser-Ser-Ser-Arg-NH2 as a substrate
50017422	8	ChEMBL_2238214 (CHEMBL5152110)	Inhibition of porcine ADAM17 using (7-methoxycour-marin-4-yl)-acetyl-Pro-Leu-Ala-Gln-Ala-Val-(3-[2,4-dinitrophenyl]- L -2, 3-diaminopropionyl)-Arg-Ser-Ser-Ser-Arg-NH2 as a substrate
50017422	9	ChEMBL_2238215 (CHEMBL5152111)	Inhibition of human ADAM10 using (biotin-SPLAQAVRSSSRTP(3H)S-NH2) as a substrate by streptavidin-coated scintillation proximity assay
50017422	10	ChEMBL_2238216 (CHEMBL5152112)	Inhibition of human ADAM17
50017422	11	ChEMBL_2238217 (CHEMBL5152113)	Inhibition of Bacillus anthracis lethal factor
50017422	12	ChEMBL_2238218 (CHEMBL5152114)	Inhibition of Clostridium botulinum BoNT/A light chain using SNAPtide as substrate by HPLC assay
50017422	13	ChEMBL_2238219 (CHEMBL5152115)	Binding affinity to Clostridium botulinum BoNT/A light chain assessed as inhibition constant using SNAPtide as substrate by HPLC assay
50017422	14	ChEMBL_2238220 (CHEMBL5152116)	Binding affinity to Bacillus anthracis lethal factor assessed as inhibition constant
50017422	15	ChEMBL_2238222 (CHEMBL5152118)	Inhibition of human H-ras
50017422	16	ChEMBL_2238223 (CHEMBL5152119)	Inhibition of human K-ras
50017422	17	ChEMBL_2238227 (CHEMBL5152123)	Binding affinity to ADA (unknown origin) assessed as inhibition constant
50017422	18	ChEMBL_2238228 (CHEMBL5152124)	Binding affinity to human erythrocytic ADA assessed as inhibition constant by spectrophotometric analysis
50017422	19	ChEMBL_2238229 (CHEMBL5152125)	Binding affinity to recombinant mouse ADA assessed as inhibition constant
50017423	1	ChEMBL_2238230 (CHEMBL5152126)	Inhibition of 5'-TAMRA tagged NRF2 (unknown origin)/human recombinant N-terminal Avi tagged KEAP-1 (321 to 609 residues) expressed in Baculovirus system infected in Sf9 cells protein-protein interaction by fluorescence polarisation assay
50017423	2	ChEMBL_2238231 (CHEMBL5152127)	Inhibition of 5'-TAMRA tagged NRF2 (unknown origin)/human recombinant N-terminal Avi tagged KEAP-1 (321 to 609 residues) expressed in Baculovirus system infected in Sf9 cells protein-protein interaction at 0.03 uM by fluorescence polarisation assay relative to control
50017423	3	ChEMBL_2238232 (CHEMBL5152128)	Induction of Nrf2 in human BEAS-2B cells assessed as increase in NQO1 protein level incubated for 48 hrs by MTT assay
50017424	1	ChEMBL_2238238 (CHEMBL5152134)	Inhibition of PLAP (unknown origin)
50017424	2	ChEMBL_2238239 (CHEMBL5152135)	Inhibition of TNAP (unknown origin)
50017424	3	ChEMBL_2238240 (CHEMBL5152136)	Inhibition of human PLAP using biotinylated CDP as substrate incubated for 30 mins by chemiluminescent assay
50017427	1	ChEMBL_2238272 (CHEMBL5152168)	Inhibition of Influenza A virus A/PR/8/1934 (H1N1) neuraminidase using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUNANA) as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by fluorescence based microplate reader analysis
50017427	2	ChEMBL_2238297 (CHEMBL5152193)	Inhibition of CYP1A2 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50017427	3	ChEMBL_2238298 (CHEMBL5152194)	Inhibition of CYP2C19 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50017427	4	ChEMBL_2238299 (CHEMBL5152195)	Inhibition of CYP2D6 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50017427	5	ChEMBL_2238300 (CHEMBL5152196)	Inhibition of CYP3A4M in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50017427	6	ChEMBL_2238301 (CHEMBL5152197)	Inhibition of CYP2C9 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysis
50017427	7	ChEMBL_2238339 (CHEMBL5152235)	Inhibition of Influenza A virus H1N1 Neuraminidase
50017428	1	ChEMBL_2238364 (CHEMBL5152260)	Inhibition of COX1 (unknown origin)
50017428	2	ChEMBL_2238365 (CHEMBL5152261)	Inhibition of COX2 in human whole blood measured after 30 mins by radioimmunoassay
50017428	3	ChEMBL_2238371 (CHEMBL5152267)	Inhibition of human COX1
50017428	4	ChEMBL_2238372 (CHEMBL5152268)	Inhibition of human COX2
50017428	5	ChEMBL_2238378 (CHEMBL5152274)	Binding affinity to COX2 (unknown origin)
50017428	6	ChEMBL_2238380 (CHEMBL5152276)	Inhibition of COX2 (unknown origin)
50017428	7	ChEMBL_2238389 (CHEMBL5152285)	Binding affinity to human CB2R assessed as inhibition constant
50017428	8	ChEMBL_2238392 (CHEMBL5152288)	Binding affinity to human CB2R assessed as inhibition constant and incubated for 90 mins
50017428	9	ChEMBL_2238393 (CHEMBL5152289)	Binding affinity to human CB1R assessed as inhibition constant and incubated for 90 mins
50017428	10	ChEMBL_2238394 (CHEMBL5152290)	Reversible inhibition of MAO-B in Wistar rat assessed as inhibition constant followed by using clorgyline as substrate
50017428	11	ChEMBL_2238396 (CHEMBL5152292)	Inhibition of MAO-B (unknown origin)
50017428	12	ChEMBL_2238398 (CHEMBL5152294)	Binding affinity to human MAO-B assessed as inhibition constant
50017428	13	ChEMBL_2238401 (CHEMBL5152297)	Binding affinity to human MAO-B assessed as dissociation constant
50017428	14	ChEMBL_2238406 (CHEMBL5152302)	Inhibition of S1PR1 (unknown origin)
50017428	15	ChEMBL_2238407 (CHEMBL5152303)	Binding affinity to recombinant human S1PR1 expressed in cell membrane
50017428	16	ChEMBL_2238416 (CHEMBL5152312)	Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant
50017428	17	ChEMBL_2238421 (CHEMBL5152317)	Inhibition of S1PR2 (unknown origin)
50017428	18	ChEMBL_2238423 (CHEMBL5152319)	Inhibition of human P2X7R
50017428	19	ChEMBL_2238424 (CHEMBL5152320)	Binding affinity to human P2X7R assessed as inhibition constant
50017428	20	ChEMBL_2238426 (CHEMBL5152322)	Activation of human P2Y12R
50017428	21	ChEMBL_2238427 (CHEMBL5152323)	Inhibition of human P2Y12
50017428	22	ChEMBL_2238428 (CHEMBL5152324)	Inhibition of CSF1R in human monocytes
50017428	23	ChEMBL_2238429 (CHEMBL5152325)	Binding affinity to CSF1R (unknown origin) assessed as inhibition constant
50017428	24	ChEMBL_2238430 (CHEMBL5152326)	Inhibition of CSF1R (unknown origin)
50017428	25	ChEMBL_2238433 (CHEMBL5152329)	Binding affinity to CSF1R (unknown origin)
50017428	26	ChEMBL_2238440 (CHEMBL5152336)	Binding affinity to RAGE (unknown origin) assessed as dissociation constant
50017428	27	ChEMBL_2238442 (CHEMBL5152338)	Binding affinity to human melatonin MT1 assessed as inhibition constant
50017428	28	ChEMBL_2238444 (CHEMBL5152340)	Binding affinity to MERTK (unknown origin)
50017428	29	ChEMBL_2238446 (CHEMBL5152342)	Inhibition of sEH (unknown origin)
50017428	30	ChEMBL_2238450 (CHEMBL5152346)	Inhibition of human PDE4D
50017428	31	ChEMBL_2238456 (CHEMBL5152352)	Binding affinity to MOP (unknown origin)
50017428	32	ChEMBL_2238458 (CHEMBL5152354)	Binding affinity to GSK-3 (unknown origin) assessed as inhibition constant
50017428	33	ChEMBL_2238459 (CHEMBL5152355)	Inhibition of GSK-3 (unknown origin)
50017428	34	ChEMBL_2238462 (CHEMBL5152358)	Inhibition of recombinant human GSK-3beta
50017431	1	ChEMBL_2238500 (CHEMBL5152396)	Inhibition of FAP (unknown origin)
50017431	2	ChEMBL_2238501 (CHEMBL5152397)	Inhibition of DPP4 (unknown origin)
50017434	1	ChEMBL_2238503 (CHEMBL5152399)	Inhibition of HBV subgenotype D3 derived [3H]preS1-peptide binding to human NTCP in HEK293 cells overexpressing NTCP preincubated for 5 mins followed by [3H]preS1 addition and measured after 10 mins by liquid scintillation counter analysis
50017434	2	ChEMBL_2238506 (CHEMBL5152402)	Inhibition of human NTCP mediated TCA uptake in HEK293 cells overexpressing NTCP preincubated for 5 mins followed by substrate addition and measured after 10 mins using [3H] taurocholic acid as substrate by liquid scintillation counter analysis
50017434	3	ChEMBL_2238507 (CHEMBL5152403)	Inhibition of TAMRA-labeled preS1-peptide binding to human NTCP in HepG2-hNTCP cells incubated for 30 mins by liquid scintillation counter analysis
50017434	4	ChEMBL_2238508 (CHEMBL5152404)	Inhibition of human NTCP mediated TCA uptake in HepG2-hNTCP cells incubated for 15 mins using [3H] taurocholic acid as substrate by liquid scintillation counter analysis
50017434	5	ChEMBL_2238511 (CHEMBL5152407)	Binding affinity to human NTCP assessed as dissociation constant by isothermal titration calorimetry
50017434	6	ChEMBL_2238512 (CHEMBL5152408)	Binding affinity to NTCP (unknown origin)
50017434	7	ChEMBL_2238514 (CHEMBL5152410)	Inhibition of preS1-peptide binding to human HA-tagged NTCP in U2OS expresseing NTCP in incubated for 24 hrs using Myrcludex B as substrate by competitive binding assay
50017434	8	ChEMBL_2238515 (CHEMBL5152411)	Inhibition of human NTCP mediated TCA uptake in U2OS expresseing HA-tagged NTCP cells preincubated for 10 mins followed by substrate addition and measured after 2 mins using [3H]-taurocholate as substrate by liquid scintillation counter analysis
50017434	9	ChEMBL_2238516 (CHEMBL5152412)	Inhibition of HBV subgenotype D3 [3H]-myr-preS1 (2 to 48 residues) peptide binding to human NTCP in HEK293 cells preincubated for 5 mins followed by substrate addition and measured after 10 mins using by microplate scintillation counter analysis
50017436	1	ChEMBL_2238547 (CHEMBL5152443)	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current amplitude at -80 mV holding potential by two-electrode voltage clamp method
50017436	2	ChEMBL_2238548 (CHEMBL5152444)	Antagonist activity at human alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current amplitude at -80 mV holding potential by two-electrode voltage clamp method
50017436	3	ChEMBL_2238555 (CHEMBL5152451)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current amplitude at -80 mV holding potential by two-electrode voltage clamp method
50017436	4	ChEMBL_2238556 (CHEMBL5152452)	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-induced current amplitude at -80 mV holding potential in presence of BAPTA-AM by two-electrode voltage clamp method
50017439	1	ChEMBL_2238563 (CHEMBL5152459)	Inhibition of recombinant C-terminal 6-His tagged Plasmodium falciparum SUB1 expressed in baculovirus expression system
50017439	2	ChEMBL_2238566 (CHEMBL5152462)	Inhibition of Plasmodium falciparum SUB1
50017439	3	ChEMBL_2238568 (CHEMBL5152464)	Inhibition of recombinant Plasmodium falciparum SUB1 using SERA4st1F-6R1 as substrate by fluorescence spectrophotometer
50017439	4	ChEMBL_2238572 (CHEMBL5152468)	Inhibition of recombinant Plasmodium falciparum SUB1 by fluorescence spectrophotometer
50017439	5	ChEMBL_2238575 (CHEMBL5152471)	Inhibition of Plasmodium falciparum SUB1 in intact schizonts
50017439	6	ChEMBL_2238577 (CHEMBL5152473)	Binding affinity to Plasmodium falciparum SUB1 using KLVSADNIDIS peptide as substrate by FRET assay
50017440	1	ChEMBL_2238581 (CHEMBL5152477)	Inhibition of ERK1 (unknown origin) incubated for 45 mins in presence of ATP by IMAP assay
50017440	2	ChEMBL_2238582 (CHEMBL5152478)	Inhibition of ERK2 (unknown origin) incubated for 45 mins in presence of ATP by IMAP assay
50017440	3	ChEMBL_2238584 (CHEMBL5152480)	Binding affinity to ERK2 (unknown origin)
50017440	4	ChEMBL_2238585 (CHEMBL5152481)	Inhibition of ERK2 (unknown origin)
50017440	5	ChEMBL_2238586 (CHEMBL5152482)	Binding affinity to rat full-length ERK2 using FQRKTLQRRNLKGLNLNL-XXX-TGPLSPGPF peptide as substrate in presence of [gamma33P]ATP by scintillation counter analysis
50017440	6	ChEMBL_2238589 (CHEMBL5152485)	Binding affinity to ERK1 (unknown origin) measured after 20 mins in presence of [gamma33P]ATP by scintillation counter analysis
50017440	7	ChEMBL_2238590 (CHEMBL5152486)	Binding affinity to ERK2 (unknown origin) measured after 20 mins in presence of [gamma33P]ATP by scintillation counter analysis
50017440	8	ChEMBL_2238591 (CHEMBL5152487)	Inhibition of ERK1 (unknown origin)
50017440	9	ChEMBL_2238595 (CHEMBL5152491)	Binding affinity to ERK1 (unknown origin)
50017441	1	ChEMBL_2238600 (CHEMBL5152496)	Inhibition of recombinant human GSTA1-1 using GSH and CDNB as substrate preincubated for 5 mins followed by substrate addition and measured in the absence of UV irradiation by spectrophotometric analysis
50017441	2	ChEMBL_2238601 (CHEMBL5152497)	Inhibition of recombinant human GSTA1-1 using GSH and CDNB as substrate preincubated for 2 mins followed by substrate addition and measured upto 6 mins in the presence of UV irradiation by spectrophotometric analysis
50017441	3	ChEMBL_2238602 (CHEMBL5152498)	Inhibition of recombinant human GSTP1-1 using GSH and CDNB as substrate preincubated for 5 mins followed by substrate addition and measured in the absence of UV irradiation by spectrophotometric analysis
50017441	4	ChEMBL_2238603 (CHEMBL5152499)	Inhibition of recombinant human GSTP1-1 using GSH and CDNB as substrate preincubated for 2 mins followed by substrate addition and measured upto 6 mins in the presence of UV irradiation by spectrophotometric analysis
50017444	1	ChEMBL_2238667 (CHEMBL5152563)	Inhibition of Perforin-1 in human Jurkat cells
50017444	2	ChEMBL_2238671 (CHEMBL5152567)	Inhibition of mouse Perforin-1
50017444	3	ChEMBL_2238679 (CHEMBL5152575)	Inhibition of recombinant Perforin-1 (unknown origin)
50017444	4	ChEMBL_2238682 (CHEMBL5152578)	Inhibition of AChE (unknown origin)
50017445	1	ChEMBL_2238689 (CHEMBL5152585)	Binding affinity to wild type ULK1 (unknown origin) expressed in HEK293T cells assessed as dissociation constant measured after 8 mins by SPR analysis
50017445	2	ChEMBL_2238691 (CHEMBL5152587)	Activation of human SIRT6 using acetylated histone H3K9 as peptide substrate
50017445	3	ChEMBL_2238692 (CHEMBL5152588)	Activation of wild type human N-terminal full length SIRT6 deacetylation (8 to 533 residues) expressed in Escherichia coli BL21 (DE3) expression system using RHKK-ac-AMC as substrate incubated for 2 hrs by FDL assay
50017448	1	ChEMBL_2238739 (CHEMBL5152635)	Antagonist activity at P2X7 receptor in human RPMI-8226 cells assessed as inhibition of ATP-induced Ca2+ influx by fura-2 staining based assay
50017449	1	ChEMBL_2238741 (CHEMBL5152637)	Inhibition of electric eel AChE by Ellman's method
50017449	2	ChEMBL_2238742 (CHEMBL5152638)	Inhibition of equine serum BuChE by Ellman's method
50017450	1	ChEMBL_2238747 (CHEMBL5152643)	Inhibition of recombinant human MAO-A using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis
50017450	2	ChEMBL_2238748 (CHEMBL5152644)	Inhibition of recombinant human MAO-B using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis
50017450	3	ChEMBL_2238749 (CHEMBL5152645)	Competitive inhibition of recombinant human MAO-B using kynuramine as substrate assessed as enzyme-inhibitor dissociation constant at varying substrate concentration by Lineweaver-burk plot analysis
50017450	4	ChEMBL_2238750 (CHEMBL5152646)	Inhibition of porcine kidney DAAO using D-serine as substrate assessed as H2O2 formation by amplex red and peroxidase-coupled continuous fluorescence spectrophotometric analysis
50017452	1	ChEMBL_2238755 (CHEMBL5152651)	Inhibition of full length N-terminal GST-tagged human BTK expressed in Sf21 cells assessed as inhibition constant using NH2-KKKAPFSWYLPEEG as substrate in presence of ATP measured for 2 hrs by microplate reader assay
50017452	2	ChEMBL_2238770 (CHEMBL5152666)	Inhibition of recombinant human BTK by radiometric kinase assay
50017452	3	ChEMBL_2238771 (CHEMBL5152667)	Inhibition of recombinant human BMX by radiometric kinase assay
50017452	4	ChEMBL_2238772 (CHEMBL5152668)	Inhibition of recombinant human TEC by radiometric kinase assay
50017452	5	ChEMBL_2238773 (CHEMBL5152669)	Inhibition of recombinant human BLK by radiometric kinase assay
50017453	1	ChEMBL_2238842 (CHEMBL5152738)	Binding affinity to human RXRalpha LBD (T225 to T462 residues) by fluorescence quenching assay
50017453	2	ChEMBL_2238843 (CHEMBL5152739)	Agonist activity at human GAL4-fused RXRalpha LBD (T225 to T462 residues) expressed in HEK293 cells incubated for 24 hrs by Dual-Glo luciferase assay
50017453	3	ChEMBL_2238844 (CHEMBL5152740)	Binding affinity to human RXRalpha LBD (T225 to T462 residues) assessed as binding constant by isothermal titration calorimetry
50017455	1	ChEMBL_2238889 (CHEMBL5152785)	Binding affinity to human TTR incubated for 20 mins by fluorescence polarization assay
50017457	1	ChEMBL_2238916 (CHEMBL5152812)	Inhibition of MMP13 (unknown origin) assessed as reduction in cleavage of colorimetric substrate incubated for 1 hr by colorimetric analysis
50017461	1	ChEMBL_2238954 (CHEMBL5152850)	Inhibition of Helicobacter pylori urease
50017461	2	ChEMBL_2238959 (CHEMBL5152855)	Binding affinity to Helicobacter pyroli urease assessed as dissociation constant by surface plasmon resonance assay
50017461	3	ChEMBL_2238960 (CHEMBL5152856)	Mixed type inhibition of Helicobacter pyroli urease assessed as dissociation constant for EI complex by microplate reader analysis
50017461	4	ChEMBL_2238961 (CHEMBL5152857)	Mixed type inhibition of Helicobacter pyroli urease assessed as dissociation constant for ESI complex by microplate reader analysis
50017464	1	ChEMBL_2238979 (CHEMBL5152875)	Inhibition of human GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hrs by Rapidfire mass spectrometric analysis
50017464	2	ChEMBL_2238985 (CHEMBL5152881)	Inhibition of mouse GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hrs by Rapidfire mass spectrometric analysis
50017467	1	ChEMBL_2238996 (CHEMBL5152892)	Inhibition of PARP-1 (unknown origin)
50017467	2	ChEMBL_2238997 (CHEMBL5152893)	Inhibition of PARP-2 (unknown origin)
50017467	3	ChEMBL_2238998 (CHEMBL5152894)	Inhibition of PARP-1 (unknown origin) binding to DNA assessed as DNA trapping activity
50017467	4	ChEMBL_2238999 (CHEMBL5152895)	Inhibition of PARP-2 (unknown origin) binding to DNA assessed as DNA trapping activity
50017469	1	ChEMBL_2239003 (CHEMBL5152899)	Binding affinity to human RIP1 assessed as dissociation constant by competitive binding assay
50017469	2	ChEMBL_2239004 (CHEMBL5152900)	Inhibition of recombinant human RIP1 incubated for 4 hrs by ADP-Glo reagent based assay
50017469	3	ChEMBL_2239009 (CHEMBL5152905)	Inhibition of GST tagged recombinant RIPK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 4 hrs by ADP-glo assay
50017469	4	ChEMBL_2239010 (CHEMBL5152906)	Inhibition of GST tagged recombinant RIPK3 (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 4 hrs by ADP-glo assay
50017469	5	ChEMBL_2239011 (CHEMBL5152907)	Inhibition of recombinant human N terminal GST-tagged RIP1 (1 to 327 residues) expressed in baculovirus infected Sf9 insect cells using MBP as substrate preincubated for 30 mins followed by substrate addition and measured after 50 mins by ADP-glo luminescence assay
50017469	6	ChEMBL_2239014 (CHEMBL5152910)	Binding affinity to recombinant RIP1K (unknown origin) incubated for 1 hr by RT-qPCR analysis
50017469	7	ChEMBL_2239015 (CHEMBL5152911)	Binding affinity to RIPK1 (unknown origin) by Kinomescan method
50017469	8	ChEMBL_2239016 (CHEMBL5152912)	Binding affinity to RIPK3 (unknown origin) by Kinomescan method
50017469	9	ChEMBL_2239017 (CHEMBL5152913)	Binding affinity to full length human MLKL pseudokinase domain by Kinomescan method
50017469	10	ChEMBL_2239018 (CHEMBL5152914)	Inhibition of recombinant human RIPK1 by ADP-glo kinase assay
50017469	11	ChEMBL_2239023 (CHEMBL5152919)	Binding affinity to RIPK1 (unknown origin)
50017469	12	ChEMBL_2239024 (CHEMBL5152920)	Inhibition of GST tagged human recombinant RIPK1 incubated for 4 hrs by ADP-Glo luminescence assay
50017469	13	ChEMBL_2239031 (CHEMBL5152927)	Inhibition of RIP1 (unknown origin) in ADP-glo assay
50017469	14	ChEMBL_2239033 (CHEMBL5152929)	Inhibition of RIP1 (unknown origin) by fluorescence polarization assay
50017469	15	ChEMBL_2239035 (CHEMBL5152931)	Inhibition of RIPK1 (unknown origin) using myelin basic protein as substrate by radiometric binding assay
50017469	16	ChEMBL_2239039 (CHEMBL5152935)	Inhibition of RIPK1 kinase domain (unknown origin) (1 to 312 domain) incubated for 30 mins in presence of ATP
50017469	17	ChEMBL_2239048 (CHEMBL5152944)	Inhibition of RIPK1 in mouse RGC-5 cells incubated for 30 mins in presence of [gamma32-ATP] by SDS-PAGE based radiometric assay
50017469	18	ChEMBL_2239053 (CHEMBL5152949)	Inhibition of RIP1 (unknown origin)
50017469	19	ChEMBL_2239055 (CHEMBL5152951)	Binding affinity to human full length GST-tagged RIPK1 expressed in baculovirus infected Sf9 insect cells assessed as dissociation constant by competitive binding assay
50017469	20	ChEMBL_2239057 (CHEMBL5152953)	Inhibition of GST tagged RIP1 (1 to 375 residues) (unknown origin) incubated for 4 hrs in presence of ATP by ADP-Glo luminescence assay
50017469	21	ChEMBL_2239061 (CHEMBL5152957)	Binding affinity to human RIP1 assessed as dissociation constant by by KdELECT assay
50017469	22	ChEMBL_2239063 (CHEMBL5152959)	Inhibition of human RIP1
50017469	23	ChEMBL_2239064 (CHEMBL5152960)	Inhibition of mouse RIP1
50017473	1	ChEMBL_2239097 (CHEMBL5152993)	Agonist activity at human MC1R assessed as increase in alpha-MSH induced cAMP level
50017475	1	ChEMBL_2239138 (CHEMBL5153034)	Inhibition of wild type EGFR (unknown origin) preincubated with compound 30 mins followed ATP addition incubated for 30 mins by HTRF KinEASE TK assay
50017475	2	ChEMBL_2239139 (CHEMBL5153035)	Inhibition of EGFR (unknown origin) Del19 mutant preincubated with compound 30 mins followed ATP addition incubated for 30 mins by HTRF KinEASE TK assay
50017475	3	ChEMBL_2239140 (CHEMBL5153036)	Inhibition of EGFR (unknown origin) L858R mutant preincubated with compound 30 mins followed ATP addition incubated for 30 mins by HTRF KinEASE TK assay
50017475	4	ChEMBL_2239141 (CHEMBL5153037)	Inhibition of EGFR (unknown origin) L858R/T790M mutant preincubated with compound 30 mins followed ATP addition incubated for 30 mins by HTRF KinEASE TK assay
50017477	1	ChEMBL_2239232 (CHEMBL5153128)	Antagonist activity at P2Y14R (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated in presence of IBMX by cAMP-glo assay
50017477	2	ChEMBL_2239234 (CHEMBL5153130)	Antagonist activity at human P2Y1R expressed in HEK293 cells assessed as inhibition of ADP-induced IP3 production preincubated for 0.5 hrs followed by ADP stimulation by ELISA
50017477	3	ChEMBL_2239235 (CHEMBL5153131)	Antagonist activity at human P2Y4R expressed in HEK293 cells assessed as inhibition of UTP-induced IP3 production preincubated for 0.5 hrs followed by UTP stimulation by ELISA
50017477	4	ChEMBL_2239236 (CHEMBL5153132)	Antagonist activity at human P2Y6R expressed in HEK293 cells assessed as inhibition of UDP-induced IP3 production preincubated for 0.5 hrs followed by UDP stimulation by ELISA
50017477	5	ChEMBL_2239237 (CHEMBL5153133)	Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
50017477	6	ChEMBL_2239286 (CHEMBL5153182)	Antagonist activity at P2Y14R (unknown origin) expressed in rat C6 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	7	ChEMBL_2239287 (CHEMBL5153183)	Antagonist activity at P2Y1R (unknown origin) expressed in human 1321N1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	8	ChEMBL_2239288 (CHEMBL5153184)	Antagonist activity at P2Y2R (unknown origin) expressed in human 1321N1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	9	ChEMBL_2239289 (CHEMBL5153185)	Antagonist activity at P2Y4R (unknown origin) expressed in human 1321N1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	10	ChEMBL_2239290 (CHEMBL5153186)	Antagonist activity at P2Y6R (unknown origin) expressed in human 1321N1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	11	ChEMBL_2239291 (CHEMBL5153187)	Antagonist activity at P2Y11R (unknown origin) expressed in human 1321N1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017477	12	ChEMBL_2239292 (CHEMBL5153188)	Antagonist activity at P2Y12R (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 15 mins in presence of IBMX by chromatography
50017478	1	ChEMBL_2239302 (CHEMBL5153198)	Inhibition of HDAC in human NALM-6 nuclear extract incubated for 48 hrs by fluorometric analysis
50017479	1	ChEMBL_2239328 (CHEMBL5153224)	Agonist activity at TRPM5 (unknown origin)
50017479	2	ChEMBL_2239330 (CHEMBL5153226)	Antagonist activity at TRPM5 (unknown origin)
50017479	3	ChEMBL_2239331 (CHEMBL5153227)	Agonist activity at human TRPM5 expressed in HEK cells by whole cell electrophysiology method
50017479	4	ChEMBL_2239332 (CHEMBL5153228)	Agonist activity at human TRPM5 in HEK293T cells by FLIPR based assay
50017479	5	ChEMBL_2239339 (CHEMBL5153235)	Agonist activity at human TRPM5 expressed in CHO-K1 cells assessed as increase in relative fluorescence unit measured for 2 mins by FLIPR based membrane potential assay
50017479	6	ChEMBL_2239340 (CHEMBL5153236)	Agonist activity at human TRPM4 expressed in CHO-K1 cells assessed as increase in relative fluorescence unit by measuring membrane potential by FLIPR assay
50017479	7	ChEMBL_2239360 (CHEMBL5153256)	Agonist activity at mouse TRPM5 expressed in CHO-K1 cells
50017479	8	ChEMBL_2239361 (CHEMBL5153257)	Agonist activity at human TRPV1
50017479	9	ChEMBL_2239362 (CHEMBL5153258)	Agonist activity at human TRPM8 expressed in HEK cells assessed as increase in intracellular calcium level measured for 5 mins by FLIPR assay
50017479	10	ChEMBL_2239363 (CHEMBL5153259)	Agonist activity at human TRPA1 expressed in HEK cells assessed as increase in intracellular calcium level measured for 5 mins by FLIPR assay
50017479	11	ChEMBL_2239364 (CHEMBL5153260)	Agonist activity at human TRPV4
50017480	1	ChEMBL_2239389 (CHEMBL5153285)	Inhibition of human IDO1 expressed in Escherichia coli BL21(DE3) using D-tryptophan as substrate assessed as formation of kynurenine production
50017480	2	ChEMBL_2239424 (CHEMBL5153320)	Binding affinity to IDO1 (unknown origin) assessed as dissociation constant by bio-layer interferometry assay
50017480	3	ChEMBL_2239425 (CHEMBL5153321)	Binding affinity to IDO1 (unknown origin) assessed as dissociation constant by AR2G sensor based assay
50017481	1	ChEMBL_2239501 (CHEMBL5153397)	Inhibition of plasma kallikrein (unknown origin)
50017481	2	ChEMBL_2239503 (CHEMBL5153399)	Displacement of [125I]Sar1,I1e8-AII from AT1 receptor in rabbit aorta membrane
50017481	3	ChEMBL_2239504 (CHEMBL5153400)	Inhibition of PDE5 (unknown origin)
50017481	4	ChEMBL_2239505 (CHEMBL5153401)	Inhibition of human PI3K-delta by HTRF assay
50017481	5	ChEMBL_2239506 (CHEMBL5153402)	Inhibition of full length human AR stably expressed in human HEK293 cells assessed as luciferase activity incubated for 24 hrs by microplate luminometer luciferase assay
50017481	6	ChEMBL_2239507 (CHEMBL5153403)	Inhibition of human DPP4 expressed in Silkworm baculovirus system preincubated for 30 mins followed by substrate addition and measured after 20 mins using Gly-Pro-4-methylcoumarin-7-amide as substrate by fluorescence assay
50017481	7	ChEMBL_2239508 (CHEMBL5153404)	Inhibition of recombinant wild-type BTK (unknown origin) assessed as inhibition of substrate phosphorylation using peptide substrate in presence of ATP by microplate reader assay
50017481	8	ChEMBL_2239509 (CHEMBL5153405)	Inhibition of BTK (unknown origin)
50017481	9	ChEMBL_2239510 (CHEMBL5153406)	Inhibition of JAK2 (unknown origin)
50017481	10	ChEMBL_2239511 (CHEMBL5153407)	Inhibition of ROCK2 (unknown origin)
50017481	11	ChEMBL_2239512 (CHEMBL5153408)	Inhibition of JAK1 (unknown origin)
50017481	12	ChEMBL_2239513 (CHEMBL5153409)	Inhibition of ALK (unknown origin)
50017481	13	ChEMBL_2239514 (CHEMBL5153410)	Inhibition of CB1 receptor (unknown origin)
50017482	1	ChEMBL_2239516 (CHEMBL5153412)	Binding affinity to wild type full length BCL6 BTB domain having SMRT BBD motif sequence (unknown origin) transfected in human HEK293 cells by electrophoretic mobility shift assay
50017482	2	ChEMBL_2239521 (CHEMBL5153417)	Binding affinity to BCL6 BTB domain (unknown origin) by SPR analysis
50017482	3	ChEMBL_2239522 (CHEMBL5153418)	Inhibition of FLAG tagged human BCL6 (5 to 129 residues) by ELISA
50017482	4	ChEMBL_2239523 (CHEMBL5153419)	Binding affinity to BCL6 BTB domain (unknown origin) by NMR analysis
50017482	5	ChEMBL_2239526 (CHEMBL5153422)	Binding affinity to recombinant RED-NHS labelled BCL6 BTB domain (unknown origin) incubated for 10 mins by microscale thermophoresis analysis
50017482	6	ChEMBL_2239540 (CHEMBL5153436)	Binding affinity to BCL6 BTB domain (unknown origin) by ELISA
50017482	7	ChEMBL_2239541 (CHEMBL5153437)	Binding affinity to BCL6 BTB domain (unknown origin) by mammalian two hybrid assay
50017482	8	ChEMBL_2239543 (CHEMBL5153439)	Binding affinity to BCL6 BTB domain (5 to 129 residues) (unknown origin) expressed in Escherichia coli using 5-TAMRA-RSEIISTAPSSWVVPGP as substrate incubated for 1 hrs by FP assay
50017482	9	ChEMBL_2239544 (CHEMBL5153440)	Binding affinity to BCL6 BTB domain (5 to 129 residues) (unknown origin) expressed in Escherichia coli by SPR analysis
50017482	10	ChEMBL_2239545 (CHEMBL5153441)	Inhibition of BCL6 (unknown origin) by HTRF assay
50017482	11	ChEMBL_2239553 (CHEMBL5153449)	Inhibition of D2-SMRT peptide binding to human BCL6 BTB-POZ domain incubated for 60 mins by TR-FRET assay
50017482	12	ChEMBL_2239554 (CHEMBL5153450)	Displacement AF647-BCOR peptide from human BCL6 BTB-POZ domain incubated for 60 mins by TR-FRET assay
50017482	13	ChEMBL_2239555 (CHEMBL5153451)	Displacement AF647-NCOR peptide from human BCL6 BTB-POZ domain incubated for 60 mins by TR-FRET assay
50017482	14	ChEMBL_2239563 (CHEMBL5153459)	Binding affinity to BCL6 (unknown origin) by TR-FRET assay
50017484	1	ChEMBL_2239599 (CHEMBL5153495)	Inhibition of NAMPT catalytic domain (unknown origin) using NAM as substrate preincubated for 5 mins followed by substrate addition
50017485	1	ChEMBL_2239666 (CHEMBL5153562)	Inhibition of recombinant human HDAC1 using p53 (Ac-RHKK(Acetyl)-AMC) as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence based analysis
50017485	2	ChEMBL_2239667 (CHEMBL5153563)	Inhibition of recombinant human HDAC2 using p53 (Ac-RHKK(Acetyl)-AMC) as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50017485	3	ChEMBL_2239668 (CHEMBL5153564)	Inhibition of recombinant human HDAC3 using p53 (Ac-RHKK(Acetyl)-AMC) as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50017485	4	ChEMBL_2239669 (CHEMBL5153565)	Inhibition of recombinant human HDAC8 using (Abz-SRGK(thio-TFA)FFRR-NH2) as substrate preincubated for 5 mins followed by substrate addition by fluorescence based analysis
50017485	5	ChEMBL_2239670 (CHEMBL5153566)	Inhibition of HDAC4 (unknown origin)
50017485	6	ChEMBL_2239671 (CHEMBL5153567)	Inhibition of recombinant human HDAC6 (unknown origin)
50017485	7	ChEMBL_2239672 (CHEMBL5153568)	Inhibition of recombinant human HDAC11 preincubated for 10 mins followed by substrate addition by fluorescence based analysis
50017485	8	ChEMBL_2239683 (CHEMBL5153579)	Competitive inhibition of human HDAC8 using Abz-SRGGK(STFA)FFRR-NH2 (S) as substrate by Lineweaver-burk plot analysis
50017485	9	ChEMBL_2239726 (CHEMBL5153622)	Inhibition of HDAC1 (unknown origin)
50017485	10	ChEMBL_2239727 (CHEMBL5153623)	Inhibition of HDAC2 (unknown origin)
50017485	11	ChEMBL_2239728 (CHEMBL5153624)	Inhibition of HDAC3 (unknown origin)
50017485	12	ChEMBL_2239729 (CHEMBL5153625)	Inhibition of HDAC8 (unknown origin)
50017485	13	ChEMBL_2239730 (CHEMBL5153626)	Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50017487	1	ChEMBL_2239731 (CHEMBL5153627)	Inhibition of HDAC1 (unknown origin)
50017487	2	ChEMBL_2239732 (CHEMBL5153628)	Inhibition of HDAC6 (unknown origin)
50017487	3	ChEMBL_2239733 (CHEMBL5153629)	Inhibition of FGFR1 (unknown origin)
50017487	4	ChEMBL_2239736 (CHEMBL5153632)	Inhibition of FGFR2 (unknown origin)
50017487	5	ChEMBL_2239737 (CHEMBL5153633)	Inhibition of FGFR3 (unknown origin)
50017487	6	ChEMBL_2239738 (CHEMBL5153634)	Inhibition of FGFR4 (unknown origin)
50017487	7	ChEMBL_2239739 (CHEMBL5153635)	Inhibition of HDAC2 (unknown origin)
50017487	8	ChEMBL_2239740 (CHEMBL5153636)	Inhibition of HDAC8 (unknown origin)
50017488	1	ChEMBL_2239875 (CHEMBL5153771)	Inhibition of human platelet PDE5
50017488	2	ChEMBL_2239877 (CHEMBL5153773)	Inhibition of human PDE5 using [3H]cGMP as substrate incubated for 10 mins by liquid scintillation counter analysis
50017489	1	ChEMBL_2239883 (CHEMBL5153779)	Inhibition of full-length USP7 (unknown origin) using ubiquitin-rhodamine 110 as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by microplate spectrophotometer analysis
50017489	2	ChEMBL_2239894 (CHEMBL5153790)	Binding affinity to human USP7 (208 to 560 residues) by SPR method
50017491	1	ChEMBL_2239955 (CHEMBL5153851)	Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS as substrate in presence of ATP measured after 120 mins by ADP-Glo assay
50017491	2	ChEMBL_2239958 (CHEMBL5153854)	Inhibition of PI3Kalpha H1047R mutant in human HCC1954 cells assessed as reduction in PRAS40 phosphorylation after 24 hrs by electrochemiluminescent assay
50017491	3	ChEMBL_2239966 (CHEMBL5153862)	Inhibition of PI3Kalpha in human HDQ-P1 cells assessed as reduction in PRAS40 phosphorylation after 24 hrs by electrochemiluminescent assay
50017491	4	ChEMBL_2239976 (CHEMBL5153872)	Inhibition of PI3Kbeta (unknown origin) using PIP2:3PS as substrate in presence of ATP measured after 120 mins by ADP-Glo assay
50017491	5	ChEMBL_2239977 (CHEMBL5153873)	Inhibition of PI3Kdelta (unknown origin) using PIP2:3PS as substrate in presence of ATP measured after 120 mins by ADP-Glo assay
50017491	6	ChEMBL_2239978 (CHEMBL5153874)	Inhibition of PI3Kgamma (unknown origin) using PIP2:3PS as substrate in presence of ATP measured after 120 mins by ADP-Glo assay
50017491	7	ChEMBL_2240001 (CHEMBL5153897)	Inhibition of CYP3A4 (unknown origin)
50017491	8	ChEMBL_2240002 (CHEMBL5153898)	Inhibition of CYP2D6 (unknown origin)
50017491	9	ChEMBL_2240003 (CHEMBL5153899)	Inhibition of CYP2C9 (unknown origin)
50017491	10	ChEMBL_2240004 (CHEMBL5153900)	Inhibition of CYP2C8 (unknown origin)
50017491	11	ChEMBL_2240005 (CHEMBL5153901)	Inhibition of CYP2C19 (unknown origin)
50017491	12	ChEMBL_2240006 (CHEMBL5153902)	Inhibition of CYP1A2 (unknown origin)
50017495	1	ChEMBL_2240016 (CHEMBL5153912)	Inhibition of pig brain tubulin polymerization in the presence of GTP by spectrophotometric analysis
50017497	1	ChEMBL_2240101 (CHEMBL5153997)	Activation of AhR in human HepG2 cells assessed as induction of XRE-dependent reporter activity incubated for 4 hrs by Renilla/Firefly based dual-luciferase reporter assay
50017497	2	ChEMBL_2240102 (CHEMBL5153998)	Activation of AhR in mouse NIH3T3 cells assessed as induction of XRE-dependent reporter activity incubated for 4 hrs by Renilla/Firefly based dual-luciferase reporter assay
50017497	3	ChEMBL_2240103 (CHEMBL5153999)	Activation of AhR in human HaCaT cells assessed as induction of XRE-dependent reporter activity incubated for 4 hrs by Renilla/Firefly based dual-luciferase reporter assay
50017497	4	ChEMBL_2240104 (CHEMBL5154000)	Activation of AhR in mouse Hepa1c1c7 cells assessed as induction of XRE-dependent reporter activity incubated for 4 hrs by Renilla/Firefly based dual-luciferase reporter assay
50017502	1	ChEMBL_2240117 (CHEMBL5154013)	Antagonist activity at CCR5 (unknown origin) expressed in HEK293 cells co-expressing Galpha16 assessed as intracellular calcium change incubated for 15 mins by Fluo-4 AM calcium flux assay
50017502	2	ChEMBL_2240165 (CHEMBL5154061)	Inhibition of CYP1A2 (unknown origin)
50017502	3	ChEMBL_2240166 (CHEMBL5154062)	Inhibition of CYP2C9 (unknown origin)
50017502	4	ChEMBL_2240167 (CHEMBL5154063)	Inhibition of CYP2C19 (unknown origin)
50017502	5	ChEMBL_2240168 (CHEMBL5154064)	Inhibition of CYP2D6 (unknown origin)
50017502	6	ChEMBL_2240169 (CHEMBL5154065)	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50017502	7	ChEMBL_2240170 (CHEMBL5154066)	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50017503	1	ChEMBL_2240171 (CHEMBL5154067)	Inhibition of recombinant full length C-terminal His/Flag-tagged human HDAC1 (1 to 482 residues) using Z-Lys(Ac)-AMC as substrate preincubated for 90 mins followed by trypsin addition and measured after 30 mins by fluorescence based microplate reader analysis
50017503	2	ChEMBL_2240172 (CHEMBL5154068)	Inhibition of recombinant full length N-terminal GST-tagged human HDAC6 (1 to 1215 residues) using Z-Lys(Ac)-AMC as substrate preincubated for 90 mins followed by trypsin addition and measured after 30 mins by fluorescence based microplate reader analysis
50017503	3	ChEMBL_2240184 (CHEMBL5154080)	Induction of HDAC6 degradation in human HL-60 cells assessed as hyperacetylation of alpha-tubulin after 6 hrs by Western immunoassay
50017504	1	ChEMBL_2240211 (CHEMBL5154107)	Inhibition of Mycobacterium tuberculosis recombinant type II NADH dehydrogenase ndh expressed in Escherichia coli assessed as rate of NADH oxidation in the presence of an electron acceptor menadione
50017504	2	ChEMBL_2240212 (CHEMBL5154108)	Inhibition of Mycobacterium smegmatis MC2 155 recombinant type II NADH dehydrogenase ndh expressed in Escherichia coli assessed as rate of NADH oxidation in the presence of an electron acceptor menadione
50017504	3	ChEMBL_2240213 (CHEMBL5154109)	Inhibition of Mycobacterium smegmatis MC2 155 recombinant ndhA assessed as rate of NADH oxidation in the presence of an electron acceptor menadione
50017505	1	ChEMBL_2240249 (CHEMBL5154145)	Inhibition of full length human PDE9A expressed in Sf9 insect cells using [3H]-cGMP as substrate incubated for 60 mins by microbeta scintillation counter analysis
50017505	2	ChEMBL_2240293 (CHEMBL5154189)	Inhibition of mouse PDE9A expressed in recombinant CHO cells coexpressing soluble guanylate cyclase incubated for 6 mins by [3H]-cGMP scintillation proximity assay
50017505	3	ChEMBL_2240303 (CHEMBL5154199)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50017506	1	ChEMBL_2240322 (CHEMBL5154218)	Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured every 10 sec for 10 mins by FRET assay
50017506	2	ChEMBL_2240328 (CHEMBL5154224)	Inhibition of human cathepsin B using Z-Leu-Arg-AMC as substrate by FRET assay
50017506	3	ChEMBL_2240329 (CHEMBL5154225)	Inhibition of human cathepsin F using Z-Phe-Arg-AMC as substrate by FRET assay
50017506	4	ChEMBL_2240330 (CHEMBL5154226)	Inhibition of human cathepsin K using Ac-LR-AFC as substrate by FRET assay
50017506	5	ChEMBL_2240331 (CHEMBL5154227)	Inhibition of human cathepsin L using Z-Leu-Arg-AMC as substrate by FRET assay
50017506	6	ChEMBL_2240332 (CHEMBL5154228)	Inhibition of human caspase 3 using Ac-Asp-Glu-Val-Asp-pNA as substrate by FRET assay
50017506	7	ChEMBL_2240333 (CHEMBL5154229)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 60 mins by FRET based assay
50017506	8	ChEMBL_2240335 (CHEMBL5154231)	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET based assay
50017506	9	ChEMBL_2240337 (CHEMBL5154233)	Inhibition of SARS-CoV-2 main protease
50017506	10	ChEMBL_2240339 (CHEMBL5154235)	Inhibition of SARS-CoV-2 main protease incubated for 30 mins by FRET based assay
50017507	1	ChEMBL_2240392 (CHEMBL5154288)	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21(DE3) using Dabcyl-KLSAVLQSGERKM-Edans as substrate assessed as inhibition constant measured for 30 mins by fluorimetry based microplate reader analysis
50017507	2	ChEMBL_2240395 (CHEMBL5154291)	Inhibition of SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using CBZ-RLRGG-AMC as substrate assessed as inhibition constant measured for 30 mins by fluorimetry based microplate reader analysis
50017507	3	ChEMBL_2240406 (CHEMBL5154302)	Inhibition of His-tagged recombinant human Cathepsin B expressed in HEK293 cells using Z-Leu-Arg-AMC as substrate incubated for 30 mins followed by substrate addition by fluorescence based analysis
50017507	4	ChEMBL_2240407 (CHEMBL5154303)	Inhibition of human Cathepsin L using Z-Leu-Arg-AMC as substrate incubated for 30 mins followed by substrate addition by fluorescence based analysis
50017507	5	ChEMBL_2240408 (CHEMBL5154304)	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21(DE3) using Dabcyl-KLSAVLQSGERKM-Edans as substrate incubated for 30 mins followed by substrate addition by FRET assay
50017507	6	ChEMBL_2240409 (CHEMBL5154305)	Inhibition of SARS-CoV-2 PLpro expressed in Escherichia coli BL21(DE3) using CBZ-RLRGG-AMC as substrate incubated for 30 mins followed by substrate addition by FRET assay
50017507	7	ChEMBL_2240429 (CHEMBL5154325)	Inhibition of N-terminal His6-tagged SARS-CoV2 Wuhan-Hu-1 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 60 mins by microplate reader analysis
50017507	8	ChEMBL_2240430 (CHEMBL5154326)	Inhibition of SARS-CoV2 main protease
50017507	9	ChEMBL_2240431 (CHEMBL5154327)	Inhibition of SARS-CoV-2 PLpro
50017508	1	ChEMBL_2240501 (CHEMBL5154397)	Inhibition of hERG expressed in CHO cells by whole cell patch clamp method
50017508	2	ChEMBL_2240504 (CHEMBL5154400)	Inhibition of human Nav1.5 expressed in CHO cells by manual patch clamp method
50017508	3	ChEMBL_2240505 (CHEMBL5154401)	Inhibition of human alpha1c/beta2a/alpha2delta1 Cav1.2 expressed in HEK293 cells assessed as effect on calcium flux by FLIPR analysis
50017509	1	ChEMBL_2240601 (CHEMBL5154497)	Inhibition of human ERG at -90 mV holding potential
50017509	2	ChEMBL_2240602 (CHEMBL5154498)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH
50017509	3	ChEMBL_2240603 (CHEMBL5154499)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH
50017509	4	ChEMBL_2240604 (CHEMBL5154500)	Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate in presence of NADPH
50017509	5	ChEMBL_2240605 (CHEMBL5154501)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH
50017509	6	ChEMBL_2240606 (CHEMBL5154502)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH
50017509	7	ChEMBL_2240607 (CHEMBL5154503)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH
50017511	1	ChEMBL_2240608 (CHEMBL5154504)	Inhibition of recombinant human JAK1 using MGEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of Mg/ATP mixture by [gamma p33]-ATP based scintillation counting method
50017511	2	ChEMBL_2240609 (CHEMBL5154505)	Inhibition of recombinant human JAK2 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 40 mins in presence of Mg/ATP mixture by [gamma p33]-ATP based scintillation counting method
50017511	3	ChEMBL_2240610 (CHEMBL5154506)	Inhibition of recombinant human JAK3 using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of Mg/ATP mixture by [gamma p33]-ATP based scintillation counting method
50017511	4	ChEMBL_2240611 (CHEMBL5154507)	Inhibition of recombinant human TYK2 using GGMEDIYFEFMGGKKK as substrate incubated for 40 mins in presence of Mg/ATP mixture by [gamma p33]-ATP based scintillation counting method
50017511	5	ChEMBL_2240626 (CHEMBL5154522)	Inhibition of CYP1A2 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	6	ChEMBL_2240627 (CHEMBL5154523)	Inhibition of CYP2B6 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	7	ChEMBL_2240628 (CHEMBL5154524)	Inhibition of CYP2C8 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	8	ChEMBL_2240629 (CHEMBL5154525)	Inhibition of CYP2C9 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	9	ChEMBL_2240630 (CHEMBL5154526)	Inhibition of CYP2C19 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	10	ChEMBL_2240631 (CHEMBL5154527)	Inhibition of CYP2D6 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	11	ChEMBL_2240632 (CHEMBL5154528)	Inhibition of CYP3A4 in human liver microsomes incubated in presence NADPH by LC-MS/MS analysis
50017511	12	ChEMBL_2240647 (CHEMBL5154543)	Inhibition of JAK1/JAK2/TYK2 signalling in human whole blood assessed as inhibition of IL-6 stimulated STAT1 phosphorylation in CD4+ lymphocytes preincubated for 1 hr followed by IL-6 stimulation and incubated for 20 mins by flow cytometry analysis
50017511	13	ChEMBL_2240648 (CHEMBL5154544)	Inhibition of JAK2 signalling in human whole blood assessed as inhibition of GM-CSF stimulated STAT5 phosphorylation in CD33+ monocytes preincubated for 1 hr followed by GM-CSF stimulation and incubated for 20 mins by flow cytometry analysis
50017511	14	ChEMBL_2240649 (CHEMBL5154545)	Inhibition of JAK1/JAK3 signalling in human whole blood assessed as inhibition of IL-2 stimulated STAT5 phosphorylation in CD4+ lymphocytes preincubated for 1 hr followed by IL-2 stimulation and incubated for 20 mins by flow cytometry analysis
50017511	15	ChEMBL_2240650 (CHEMBL5154546)	Inhibition of JAK1/TYK2 signalling in human whole blood assessed as inhibition of IFN-alpha stimulated STAT1 phosphorylation in CD4+ lymphocytes preincubated for 1 hr followed by IFN-alpha stimulation and incubated for 20 mins by flow cytometry analysis
50017516	1	ChEMBL_2240821 (CHEMBL5155031)	Non-covalent inhibition of SARS-Cov-2 -Mpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
50017516	2	ChEMBL_2240825 (CHEMBL5155035)	Non-covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
50017516	3	ChEMBL_2240838 (CHEMBL5155048)	Covalent inhibition of trypsin (unknown origin) incubated for 1 hr by FRET-based enzymatic assay
50017516	4	ChEMBL_2240841 (CHEMBL5155051)	Covalent inhibition of SARS-Cov-2 PLpro incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
50017516	5	ChEMBL_2240848 (CHEMBL5155058)	Non-covalent inhibition of Calpain 1 (unknown origin) incubated for 1 hr by FRET-based enzymatic assay
50017516	6	ChEMBL_2240849 (CHEMBL5155059)	Non-covalent inhibition of Cathepsin L (unknown origin) incubated for 30 mins using FRET substrate measured for 1 hr by FRET-based enzymatic assay
50017516	7	ChEMBL_2240853 (CHEMBL5155063)	Stabilization in SARS-CoV-2 MPro assessed as binding constant incubated for 30 mins in presence of DTT by thermal shift binding assay
50017516	8	ChEMBL_2240855 (CHEMBL5155065)	Non-covalent inhibition to SARS-CoV-2 -Mpro assessed as inhibition constant by native mass spectrometric analysis
50017522	1	ChEMBL_2240862 (CHEMBL5155072)	Inhibition of HDAC in human MDA-MB-231 cells incubated for 24 hrs by fluorometric assay
50017522	2	ChEMBL_2240865 (CHEMBL5155075)	Inhibition of recombinant human HDAC1 using RHKK(Ac)AMC fluorogenic peptide as substrate by fluorescence assay
50017522	3	ChEMBL_2240866 (CHEMBL5155076)	Inhibition of recombinant human HDAC6 using RHKK(Ac)AMC fluorogenic peptide as substrate by fluorescence assay
50017522	4	ChEMBL_2240870 (CHEMBL5155080)	Binding affinity to recombinant GST tagged STAT3 (unknown origin) assessed as dissociation constant
50017523	1	ChEMBL_2240939 (CHEMBL5155149)	Inhibition of human CK2alpha using RRRDDDSDDD peptide as substrate preincubated for 40 mins and measured after 70 mins in the presence of ATP by ADP Glo kinase assay
50017523	2	ChEMBL_2240949 (CHEMBL5155159)	Inhibition of N-terminal GST-tagged human CK1epsilon (1 to 348 residues) expressed in baculovirus expression system in presence of peptide substrate and ATP by off-chip mobility shift assay
50017525	1	ChEMBL_2241009 (CHEMBL5155219)	Inhibition of MERTK (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate incubated for 180 mins in presence of ATP by microfluidic capillary electrophoresis analysis
50017525	2	ChEMBL_2241010 (CHEMBL5155220)	Inhibition of Tyro3 (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate incubated for 180 mins in presence of ATP by microfluidic capillary electrophoresis analysis
50017525	3	ChEMBL_2241011 (CHEMBL5155221)	Inhibition of Axl (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate incubated for 180 mins in presence of ATP by microfluidic capillary electrophoresis analysis
50017525	4	ChEMBL_2241012 (CHEMBL5155222)	Inhibition of FLT3 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate incubated for 180 mins in presence of ATP by microfluidic capillary electrophoresis analysis
50017525	5	ChEMBL_2241015 (CHEMBL5155225)	Binding affinity to MERTK in cuprizone-challenged C57BL/6 mouse whole brain assessed as dissociation constant at 18.1 nM by autoradiography
50017525	6	ChEMBL_2241016 (CHEMBL5155226)	Binding affinity to MERTK in cuprizone-challenged C57BL/6 mouse brain CC/HC region assessed as dissociation constant at 18.1 nM by autoradiography
50017526	1	ChEMBL_2241027 (CHEMBL5155237)	Inhibition of human EGFR L858R mutant expressed in Sf9 insect cells in presence of ATP measured by HTRF assay
50017526	2	ChEMBL_2241028 (CHEMBL5155238)	Inhibition of human EGFR L858R/T790M/C797S mutant expressed in Sf9 insect cells in presence of ATP measured by HTRF assay
50017526	3	ChEMBL_2241031 (CHEMBL5155241)	Inhibition of wild type human EGFR expressed in Sf9 insect cells in presence of ATP measured by HTRF assay
50017526	4	ChEMBL_2241040 (CHEMBL5155250)	Displacement of sapitinib-BODIPY tracer from C-terminal NanoLuc-fused full length wild type EGFR (unknown origin) transfected in HEK293T cells incubated for 2 hrs by NanoBRET assay
50017527	1	ChEMBL_2241051 (CHEMBL5155261)	Inhibition of PI3Kgamma (unknown origin) in rhMPC1 stimulated human THP-1 cells assessed as reduction in Akt phosphorylation level at Ser473 residue preincubated for 60 mins followed by rhMCP-1 stimulation and measured after 2 mins by AlphaLisa assay
50017527	2	ChEMBL_2241052 (CHEMBL5155262)	Inhibition of PI3Kgamma (unknown origin) at 10 uM using PIP2 as substrate preincubated for 60 mins followed by substrate addition and measured after 45 mins in presence of ATP by TR-FRET analysis
50017527	3	ChEMBL_2241054 (CHEMBL5155264)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 1 hr followed by substrate addition and measured after 60 mins in presence of ATP by ADP-glo assay
50017527	4	ChEMBL_2241058 (CHEMBL5155268)	Inhibition of PI3Kgamma in SDF-1alpha stimulated human whole blood assessed as reduction in phospho-AKT kinase activity preincubated for 1 hr followed by SDF-1alpha stimulation and measured after 2 mins by flow cytometric analysis
50017527	5	ChEMBL_2241059 (CHEMBL5155269)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 1 hr followed by substrate addition and measured after 60 mins in presence of ATP by ADP-glo assay
50017527	6	ChEMBL_2241060 (CHEMBL5155270)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 1 hr followed by substrate addition and measured after 60 mins in presence of ATP by ADP-glo assay
50017527	7	ChEMBL_2241063 (CHEMBL5155273)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 1 hr followed by substrate addition and measured after 60 mins in presence of ATP by ADP-glo assay
50017527	8	ChEMBL_2241092 (CHEMBL5155302)	Time dependent inhibition of CYP1A2 in human liver microsomes at 40 uM using phenacetin as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	9	ChEMBL_2241094 (CHEMBL5155304)	Time dependent inhibition of CYP2B6 in human liver microsomes at 40 uM measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	10	ChEMBL_2241095 (CHEMBL5155305)	Time dependent inhibition of CYP2C8 in human liver microsomes at 40 uM measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	11	ChEMBL_2241096 (CHEMBL5155306)	Time dependent inhibition of CYP2C9 in human liver microsomes at 40 uM using diclofenac as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	12	ChEMBL_2241097 (CHEMBL5155307)	Time dependent inhibition of CYP2C19 in human liver microsomes at 40 uM using (S)-mephenytoin as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	13	ChEMBL_2241098 (CHEMBL5155308)	Time dependent inhibition of CYP2D6 in human liver microsomes at 40 uM using dextromethorphan as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	14	ChEMBL_2241099 (CHEMBL5155309)	Time dependent inhibition of CYP3A4 in human liver microsomes at 40 uM using midazolam as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	15	ChEMBL_2241103 (CHEMBL5155313)	Inhibition of human ERG by patch clamp assay
50017527	16	ChEMBL_2241108 (CHEMBL5155318)	Inhibition of CYP3A4 in human liver microsomes at 40 uM using midazolam as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017527	17	ChEMBL_2241109 (CHEMBL5155319)	Inhibition of CYP2C9 in human liver microsomes at 40 uM using diclofenac as substrate measured after 5 to 20 mins in presence of NADPH by LC/MS/MS analysis
50017529	1	ChEMBL_2241115 (CHEMBL5155325)	Inhibition of human recombinant Cathepsin L assessed remaining activity using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50017529	2	ChEMBL_2241116 (CHEMBL5155326)	Inhibition of human recombinant Cathepsin B assessed remaining activity using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50017529	3	ChEMBL_2241117 (CHEMBL5155327)	Inhibition of human recombinant Cathepsin V assessed remaining activity using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50017529	4	ChEMBL_2241118 (CHEMBL5155328)	Inhibition of human recombinant Cathepsin S assessed remaining activity using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50017529	5	ChEMBL_2241119 (CHEMBL5155329)	Inhibition of human recombinant Cathepsin K assessed remaining activity using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50017529	6	ChEMBL_2241124 (CHEMBL5155334)	Inhibition of human recombinant Cathepsin L assessed as Apparent inhibition constant using Z-FR-AMC as substrate inubated for 30 mins by fluorometric assay
50017529	7	ChEMBL_2241125 (CHEMBL5155335)	Inhibition of human recombinant Cathepsin B assessed as Apparent inhibition constant using Z-FR-AMC as substrate inubated for 30 mins by fluorometric assay
50017529	8	ChEMBL_2241126 (CHEMBL5155336)	Inhibition of mouse Cathepsin L assessed as Apparent inhibition constant using Z-FR-AMC as substrate inubated for 30 mins by fluorometric assay
50017531	1	ChEMBL_2241279 (CHEMBL5155489)	Inhibition of HDAC11 (unknown origin) using fluorogenic peptide 382 RHKK(Ac)AM as substrate and measured by fluorescence assay
50017533	1	ChEMBL_2241386 (CHEMBL5155596)	Inhibition of hERG channel expressed in CHO cells at holding potential of -80 mV by whole cell patch clamp method
50017533	2	ChEMBL_2241391 (CHEMBL5155601)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for 20 mins in presence of NADPH followed by incubation with substrate for 10 mins by LC-MS/MS analysis
50017533	3	ChEMBL_2241392 (CHEMBL5155602)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincubated for 20 mins in presence of NADPH followed by incubation with substrate for 10 mins by LC-MS/MS analysis
50017533	4	ChEMBL_2241411 (CHEMBL5155621)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 1'-hydroxy midazolam formation using midazolam as substrate preincubated for 20 mins in absence of NADPH followed by incubation with substrate for 10 mins by LC-MS/MS analysis
50017533	5	ChEMBL_2241412 (CHEMBL5155622)	Inhibition of CYP3A4 in human liver microsomes assessed as reduction in 6-beta-hydroxy-testosterone formation using testosterone as substrate preincubated for 20 mins in absence of NADPH followed by incubation with substrate for 10 mins by LC-MS/MS analysis
50017535	1	ChEMBL_2241609 (CHEMBL5155819)	Inhibition of Escherichia coli N-terminal hexahstidine-tagged TS by steady-state kinetic analysis
50017537	1	ChEMBL_2241621 (CHEMBL5155831)	Inhibition of FAK (unknown origin) using Fluorescein-Poly GAT as substrate incubated for 30 mins and measured after 60 mins by Lanthascreen assay
50017541	1	ChEMBL_2241657 (CHEMBL5155867)	Activation of human recombinant IDE using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-trp as substrate incubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescence spectrophotometer analysis
50017542	1	ChEMBL_2241671 (CHEMBL5155881)	Inhibition of c-Raf (unknown origin)
50017542	2	ChEMBL_2241676 (CHEMBL5155886)	Inhibition of P38alphaMAPK (unknown origin)
50017542	3	ChEMBL_2241677 (CHEMBL5155887)	Inhibition of P38betaMAPK (unknown origin)
50017542	4	ChEMBL_2241679 (CHEMBL5155889)	Binding affinity to CK1a1 (unknown origin)
50017542	5	ChEMBL_2241680 (CHEMBL5155890)	Binding affinity to CK1a1L (unknown origin)
50017542	6	ChEMBL_2241681 (CHEMBL5155891)	Binding affinity to CK1delta (unknown origin)
50017542	7	ChEMBL_2241682 (CHEMBL5155892)	Binding affinity to CK1epsilon (unknown origin)
50017543	1	ChEMBL_2241713 (CHEMBL5155923)	Inhibition of caspase 1 (unknown origin) using YVAD-AFC as substrate by fluorescence analysis
50017543	2	ChEMBL_2241719 (CHEMBL5155929)	Inhibition of caspase 1 (unknown origin)
50017545	1	ChEMBL_2241722 (CHEMBL5155932)	Inhibition of Tag2-PD-1/Tag1-PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by HTRF assay
50017545	2	ChEMBL_2241733 (CHEMBL5155943)	Inhibition of PD-1-Ig/His-PD-L1 (unknown origin) protein-protein interaction incubated with PD-L1 for 15 mins followed by addition of PD-1 for 15 mins by HTRF assay
50017545	3	ChEMBL_2241734 (CHEMBL5155944)	Inhibition of PD-1/PD-L1 (unknown origin) interaction
50017546	1	ChEMBL_2241739 (CHEMBL5155949)	Inhibition of human ERG
50017546	2	ChEMBL_2241745 (CHEMBL5155955)	Displacement of [3H] N6-R-phenylisopropyladenosine from human A1A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assay
50017546	3	ChEMBL_2241746 (CHEMBL5155956)	Displacement of [3H]-2-p-2-(carboxyethyl)phenyl-ethylamino-5'-N-ethylcarboxamidoadenosine from human A2A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assay
50017546	4	ChEMBL_2241747 (CHEMBL5155957)	Displacement of [125I] N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assay
50017546	5	ChEMBL_2241748 (CHEMBL5155958)	Agonist activity at human adenosine A3A receptor stably expressed in HEK293 cells assessed as beta arrestin 2 recruitment potency by luciferase based NanoBiT assay
50017546	6	ChEMBL_2241750 (CHEMBL5155960)	Agonist activity at human adenosine A3A receptor stably expressed in HEK293 cells assessed as mini G-alpha recruitment potency by luciferase based NanoBiT assay
50017546	7	ChEMBL_2241754 (CHEMBL5155964)	Inhibition of CYP1A2 (unknown origin)
50017546	8	ChEMBL_2241755 (CHEMBL5155965)	Inhibition of CYP2C9 (unknown origin)
50017546	9	ChEMBL_2241756 (CHEMBL5155966)	Inhibition of CYP2C19 (unknown origin)
50017546	10	ChEMBL_2241757 (CHEMBL5155967)	Inhibition of CYP2D6 (unknown origin)
50017546	11	ChEMBL_2241758 (CHEMBL5155968)	Inhibition of CYP3A4 (unknown origin)
50017546	12	ChEMBL_2241768 (CHEMBL5155978)	Displacement of [3H] N6-R-phenylisopropyladenosine from mouse A1A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assay
50017546	13	ChEMBL_2241769 (CHEMBL5155979)	Displacement of [125I] N6-4-amino-3-iodobenzyl adenosine 5-N-methyluronamide from mouse A3A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assay
50017547	1	ChEMBL_2241858 (CHEMBL5156068)	Binding affinity to HSP90 (unknown origin) upto 250 uM by BLI assay
50017548	1	ChEMBL_2241908 (CHEMBL5156118)	Mixed type inhibition of electric eel AChE by reciprocal Lineweaver-Burk plot analysis
50017548	2	ChEMBL_2241920 (CHEMBL5156130)	Inhibition of human COX2 by microplate reader assay
50017551	1	ChEMBL_2241942 (CHEMBL5156152)	Inhibition of HDAC class 1 in human THP-1 cells using TFA-lysine as fluorogenic substrate by fluorescence microplate reader assay
50017551	2	ChEMBL_2241943 (CHEMBL5156153)	Inhibition of HDAC class 1 in human PANC-1 cells using TFA-lysine as fluorogenic substrate by fluorescence microplate reader assay
50017551	3	ChEMBL_2241944 (CHEMBL5156154)	Inhibition of HDAC class 1 in human L3.6pl cells using TFA-lysine as fluorogenic substrate by fluorescence microplate reader assay
50017551	4	ChEMBL_2241945 (CHEMBL5156155)	Inhibition of HDAC class 1 in human HT-29 cells using TFA-lysine as fluorogenic substrate by fluorescence microplate reader assay
50017551	5	ChEMBL_2241951 (CHEMBL5156161)	Inhibition of HDAC class 1 in human HT-29 cells using Boc-Lys-Ac as substrate incubated for 3 hrs by microplate reader assay
50017551	6	ChEMBL_2241957 (CHEMBL5156167)	Inhibition of recombinant human HDAC4 using fluorogenic substrate by fluorescence microplate reader assay
50017551	7	ChEMBL_2241958 (CHEMBL5156168)	Inhibition of recombinant human HDAC5 using fluorogenic substrate by fluorescence microplate reader assay
50017551	8	ChEMBL_2241959 (CHEMBL5156169)	Inhibition of recombinant human HDAC7 using fluorogenic substrate by fluorescence microplate reader assay
50017551	9	ChEMBL_2241960 (CHEMBL5156170)	Inhibition of recombinant human HDAC9 using fluorogenic substrate by fluorescence microplate reader assay
50017551	10	ChEMBL_2241961 (CHEMBL5156171)	Inhibition of recombinant human HDAC10 using fluorogenic substrate by fluorescence microplate reader assay
50017551	11	ChEMBL_2241962 (CHEMBL5156172)	Inhibition of recombinant human HDAC11 using fluorogenic substrate by fluorescence microplate reader assay
50017551	12	ChEMBL_2241963 (CHEMBL5156173)	Inhibition of recombinant human HDAC1 using fluorogenic substrate by fluorescence microplate reader assay
50017551	13	ChEMBL_2241964 (CHEMBL5156174)	Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence microplate reader assay
50017551	14	ChEMBL_2241965 (CHEMBL5156175)	Inhibition of recombinant human HDAC3 using fluorogenic substrate by fluorescence microplate reader assay
50017551	15	ChEMBL_2241966 (CHEMBL5156176)	Inhibition of recombinant human HDAC6 using fluorogenic substrate by fluorescence microplate reader assay
50017551	16	ChEMBL_2241967 (CHEMBL5156177)	Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence microplate reader assay
50017552	1	ChEMBL_2241977 (CHEMBL5156187)	Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assay
50017552	2	ChEMBL_2241978 (CHEMBL5156188)	Mixed type inhibition of SARS-CoV-2 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by Lineweaver-Burk plot analysis
50017552	3	ChEMBL_2241979 (CHEMBL5156189)	Inhibition of SARS-CoV 3CL protease using Dabcyl-KNSTLQSGLRKE-Edan as substrate incubated for 30 mins and measured by FRET assay
50017554	1	ChEMBL_2241985 (CHEMBL5156195)	Inhibition of BACE1 (unknown origin)
50017554	2	ChEMBL_2241986 (CHEMBL5156196)	Inhibition of hERG
50017556	1	ChEMBL_2242060 (CHEMBL5156270)	Inhibition of wild type N-terminal GST tagged BLK (unknown origin) (1 to 505 residues) expressed in sf21 insect cell using TK as substrate incubated for 50 mins in presence of ATP by HTRF assay
50017556	2	ChEMBL_2242062 (CHEMBL5156272)	Inhibition of wild type N-terminal GST tagged BTK (unknown origin) (2 to 659 residues) expressed in sf21 insect cell using TK as substrate incubated for 50 mins in presence of ATP by HTRF assay
50017556	3	ChEMBL_2242066 (CHEMBL5156276)	Inhibition of (S)-3-(3-(5-acrylamido-6-(3-(5-(2-methyl-5-(3-(trifluoromethyl)benzamido)benzamido)pyrimidin-2-ylamino)phenylamino)-6-oxohexylamino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide binding to BLK in human NAMALVA cells preincubated for 1 hr followed by compound washout for three times and treated with probe for 1 hr by competitive labeling assay
50017556	4	ChEMBL_2242067 (CHEMBL5156277)	Inhibition of (S)-3-(3-(5-acrylamido-6-(3-(5-(2-methyl-5-(3-(trifluoromethyl)benzamido)benzamido)pyrimidin-2-ylamino)phenylamino)-6-oxohexylamino)-3-oxopropyl)-5,5-difluoro-7,9-dimethyl-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide binding to BTK in human NAMALVA cells preincubated for 1 hr followed by compound washout for three times and treated with probe for 1 hr by competitive labeling assay
50017556	5	ChEMBL_2242068 (CHEMBL5156278)	Inhibition of BTK in goat anti-human IgM antibody stimulated human Ramos cells assessed as BTK autophosphorylation at Tyr233 residue preincubated for 1 hr followed by antibody stimulation by Western blot analysis
50017556	6	ChEMBL_2242069 (CHEMBL5156279)	Inhibition of BTK in goat anti-human IgM antibody stimulated human Ramos cells assessed as PLCgamma2 phosphorylation preincubated for 1 hr followed by antibody stimulation by Western blot analysis
50017557	1	ChEMBL_2242111 (CHEMBL5156321)	Agonist activity at human FFA1 expressed in CHO cells measured by FLIPR assay
50017557	2	ChEMBL_2242112 (CHEMBL5156322)	Agonist activity at human PPARalpha measured by dual luciferase reporter gene assay
50017557	3	ChEMBL_2242113 (CHEMBL5156323)	Agonist activity at human PPARgamma measured by dual luciferase reporter gene assay
50017557	4	ChEMBL_2242114 (CHEMBL5156324)	Agonist activity at human PPARdelta measured by dual luciferase reporter gene assay
50017565	1	ChEMBL_2242155 (CHEMBL5156365)	Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition for 1 hr in presence of ATP by fluoroscence based assay
50017565	2	ChEMBL_2242189 (CHEMBL5156399)	Inhibition of HDAC2 (unknown origin) using RHKK(Ac)AMC fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition for 1 hr in presence of ATP by fluoroscence based assay
50017565	3	ChEMBL_2242190 (CHEMBL5156400)	Inhibition of HDAC3 (unknown origin) using RHKK(Ac)AMC fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition for 1 hr in presence of ATP by fluoroscence based assay
50017565	4	ChEMBL_2242191 (CHEMBL5156401)	Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC fluorogenic peptide as substrate preincubated for 10 mins followed by substrate addition for 2 hr in presence of ATP by fluoroscence based assay
50017566	1	ChEMBL_2242288 (CHEMBL5156498)	Inhibition of N-terminal His-tagged human recombinant B-Raf V600E mutant (448 to 723 residues) expressed in Escherichia coli BL21 (DE3) by Lanthascreen assay
50017566	2	ChEMBL_2242291 (CHEMBL5156501)	Transactivation of Gal4-tagged human PXR transfected in human HeLa cells preincubated for 16 hrs followed by luciferin addition and measured after 10 mins by luminescence method
50017566	3	ChEMBL_2242293 (CHEMBL5156503)	Agonist activity at PXR (unknown origin)
50017566	4	ChEMBL_2242294 (CHEMBL5156504)	Inhibition of N-terminal His-tagged human B-Raf kinase domain (448 to 723 residues) expressed in Escherichia coli BL21 (DE3) by Lanthascreen assay
50017568	1	ChEMBL_2242296 (CHEMBL5156506)	Inhibition of human GSK-3-beta using phospho GS2 peptide as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation assay
50017568	2	ChEMBL_2242297 (CHEMBL5156507)	Inhibition of human Fyn using Cdc2 peptide as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation assay
50017568	3	ChEMBL_2242298 (CHEMBL5156508)	Inhibition of from NanoLuc-fused GSK-3-beta (unknown origin) transfected in HEK293 cells using tracer K8 incubated for 1 hr by NanoBRET assay
50017568	4	ChEMBL_2242299 (CHEMBL5156509)	Inhibition of from NanoLuc-fused Fyn (unknown origin) transfected in HEK293 cells using tracer K4 incubated for 1 hr by NanoBRET assay
50017568	5	ChEMBL_2242340 (CHEMBL5156550)	Inhibition of human DYRK1A using RRRFRPASPLRGPPK as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation assay
50017568	6	ChEMBL_2242342 (CHEMBL5156552)	Inhibition of NanoLuc-fused DYRK1A (unknown origin) transfected in HEK293 cells using tracer K10 incubated for 1 hr by NanoBRET assay
50017570	1	ChEMBL_2242344 (CHEMBL5156554)	Inhibition of His6-tagged human CBP bromodomain (1081 to 1197 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by HTRF assay
50017570	2	ChEMBL_2242346 (CHEMBL5156556)	Binding affinity to His6-tagged human CBP bromodomain (1081 to 1197 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	3	ChEMBL_2242376 (CHEMBL5156586)	Binding affinity to His6-tagged human BRD9 bromodomain (14 to 134 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	4	ChEMBL_2242377 (CHEMBL5156587)	Binding affinity to His6-tagged human BRD2 bromodomain-1 (77 to 194 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	5	ChEMBL_2242379 (CHEMBL5156589)	Binding affinity to His6-tagged human BRD3 bromodomain-1 (24 to 144 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	6	ChEMBL_2242380 (CHEMBL5156590)	Binding affinity to His6-tagged human BRD3 bromodomain-2 (306 to 416 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	7	ChEMBL_2242381 (CHEMBL5156591)	Binding affinity to His6-tagged human BRD4 bromodomain-1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017570	8	ChEMBL_2242383 (CHEMBL5156593)	Binding affinity to His6-tagged human BRDT bromodomain-1 (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50017573	1	ChEMBL_2242604 (CHEMBL5156814)	Inhibition of TTBK1 (unknown origin)
50017573	2	ChEMBL_2242605 (CHEMBL5156815)	Inhibition of TTBK2 (unknown origin)
50017573	3	ChEMBL_2242606 (CHEMBL5156816)	Binding affinity to CM5 sensor chip immobilized C-terminal His6/TEV fused-GST-tagged human TTBK1 (14 to 313 residues) expressed in baculovirus infected Sf9 insect cells assessed as dissociation constant measured after 180 secs by surface plasmon resonance analysis
50017573	4	ChEMBL_2242607 (CHEMBL5156817)	Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomerase 2-alpha-Thr1342 as substrate incubated for 15 mins followed by ATP addition and further incubated for 30 mins by TR-FRET assay
50017573	5	ChEMBL_2242608 (CHEMBL5156818)	Inhibition of recombinant human TTBK1 using RICDLHDDEEDEAMSITA as substrate incubated for 30 mins in presence of 33P-gamma-ATP
50017573	6	ChEMBL_2242610 (CHEMBL5156820)	Inhibition of recombinant human TTBK2 using RICDLHDDEEDEAMSITA as substrate incubated for 30 mins in presence of 33P-gamma-ATP
50017575	1	ChEMBL_2242717 (CHEMBL5156927)	Inhibition of ROCK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate incubated for 30 mins in presence of [gamma-33P]-ATP
50017576	1	ChEMBL_2242756 (CHEMBL5156966)	Inhibition of TNIK (unknown origin)
50017576	2	ChEMBL_2242757 (CHEMBL5156967)	Inhibition of human recombinant TNIK (1 to 367 residues) using RLGRDKYKTLRQIRQ as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	3	ChEMBL_2242759 (CHEMBL5156969)	Inhibition of human recombinant FLT4 (800 to end residues) using GGEEEEYFELVKKKK as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	4	ChEMBL_2242760 (CHEMBL5156970)	Inhibition of human recombinant FLT1 (783 to end residues) using KKKSPGEYVNIEFG as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	5	ChEMBL_2242761 (CHEMBL5156971)	Inhibition of full length human recombinant DRAK1 using KKLNRTLSFAEPG as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	6	ChEMBL_2242762 (CHEMBL5156972)	Inhibition of full length human recombinant AURORA-A using LRRASLG as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	7	ChEMBL_2242763 (CHEMBL5156973)	Inhibition of human recombinant GCK (1 to 473 residues) using myelin basic protein as substrate in presence of ATP incubated for 40 mins by radiometric based scintillation method
50017576	8	ChEMBL_2242764 (CHEMBL5156974)	Inhibition of human MLK3 in presence of ATP by radiometric assay
50017581	1	ChEMBL_2242812 (CHEMBL5157022)	Inhibition of full length wild type LRRK2 (unknown origin) by LRRKtide Adapta assay
50017581	2	ChEMBL_2242813 (CHEMBL5157023)	Inhibition of full length LRRK2 G2019S mutant (unknown origin) by LRRKtide Adapta assay
50017581	3	ChEMBL_2242815 (CHEMBL5157025)	Inhibition of wild type pcDNA5FRT-TO-GFP fused - LRRK2 (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA
50017581	4	ChEMBL_2242816 (CHEMBL5157026)	Inhibition of pcDNA5FRT-TO-GFP fused - LRRK2 G2019S mutant (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA
50017584	1	ChEMBL_2242991 (CHEMBL5157201)	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 15 mins followed by substrate addition by UV spectrophotometric analysis
50017584	2	ChEMBL_2242992 (CHEMBL5157202)	Mixed-type inhibition of xanthine oxidase (unknown origin) assessed as inhibitory constant of enzyme-substrate complex using xanthine as substrate at varying concentrations preincubated for 15 mins followed by substrate addition by UV spectrophotometric analysis
50017584	3	ChEMBL_2242993 (CHEMBL5157203)	Competitive inhibition of xanthine oxidase (unknown origin) assessed as inhibitory constant of enzyme-substrate complex using xanthine as substrate at varying concentrations preincubated for 15 mins followed by substrate addition by UV spectrophotometric analysis
50017585	1	ChEMBL_2242999 (CHEMBL5157209)	Inhibition of BRD4 BD1 (unknown origin) incubated for 30 mins in presence of fluorescent ligand by TR-FRET method
50017585	2	ChEMBL_2243000 (CHEMBL5157210)	Inhibition of BRD4 BD2 (unknown origin) incubated for 30 mins in presence of fluorescent ligand by TR-FRET method
50017585	3	ChEMBL_2243003 (CHEMBL5157213)	Inhibition of MCP-1 in LPS-stimulated human whole blood incubate for 24 hrs by immuno assay
50017585	4	ChEMBL_2243004 (CHEMBL5157214)	Inhibition of CYP3A4 (unknown origin)
50017585	5	ChEMBL_2243007 (CHEMBL5157217)	Inhibition of hERG
50017585	6	ChEMBL_2243028 (CHEMBL5157238)	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant
50017585	7	ChEMBL_2243029 (CHEMBL5157239)	Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant
50017585	8	ChEMBL_2243030 (CHEMBL5157240)	Binding affinity to BRD2 BD2 (unknown origin) assessed as dissociation constant
50017585	9	ChEMBL_2243031 (CHEMBL5157241)	Binding affinity to BRD3 BD1 (unknown origin) assessed as dissociation constant
50017585	10	ChEMBL_2243032 (CHEMBL5157242)	Binding affinity to BRD3 BD2 (unknown origin) assessed as dissociation constant
50017585	11	ChEMBL_2243033 (CHEMBL5157243)	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant
50017585	12	ChEMBL_2243034 (CHEMBL5157244)	Binding affinity to BRDT BD1 (unknown origin) assessed as dissociation constant
50017585	13	ChEMBL_2243035 (CHEMBL5157245)	Binding affinity to BRDT BD2 (unknown origin) assessed as dissociation constant
50017585	14	ChEMBL_2243036 (CHEMBL5157246)	Binding affinity to CREBBP (unknown origin) assessed as dissociation constant
50017585	15	ChEMBL_2243037 (CHEMBL5157247)	Binding affinity to EP300 (unknown origin) assessed as dissociation constant
50017586	1	ChEMBL_2243076 (CHEMBL5157286)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50017586	2	ChEMBL_2243077 (CHEMBL5157287)	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50017586	3	ChEMBL_2243080 (CHEMBL5157290)	Inhibition of GSK3-beta (unknown origin) incubated for 60 mins by ATP-Glo luminescent assay
50017588	1	ChEMBL_2243100 (CHEMBL5157310)	Agonist activity at FXR-LBD (unknown origin) assessed as induction of coactivator SRC-1 peptide recruitment measured by TR-FRET assay
50017588	2	ChEMBL_2243102 (CHEMBL5157312)	Agonist activity at human FXR expressed in HEK293T cells by luciferase reporter assay
50017588	3	ChEMBL_2243117 (CHEMBL5157327)	Agonist activity in human GPBAR1 assessed as increase in intracellular cAMP level
50017588	4	ChEMBL_2243119 (CHEMBL5157329)	Agonist activity at estrogen receptor alpha (unknown origin)
50017588	5	ChEMBL_2243120 (CHEMBL5157330)	Agonist activity at estrogen receptor beta (unknown origin)
50017588	6	ChEMBL_2243121 (CHEMBL5157331)	Agonist activity at PPARalpha (unknown origin)
50017588	7	ChEMBL_2243122 (CHEMBL5157332)	Agonist activity at PPARgamma (unknown origin)
50017588	8	ChEMBL_2243123 (CHEMBL5157333)	Agonist activity at PPARdelta (unknown origin)
50017588	9	ChEMBL_2243124 (CHEMBL5157334)	Agonist activity at PXR (unknown origin)
50017588	10	ChEMBL_2243216 (CHEMBL5157426)	Inhibition of hERG
50017589	1	ChEMBL_2243231 (CHEMBL5157441)	Inhibition of OAT1 (unknown origin) expressed in HEK293 cells assessed as inhibition of 6-CFL uptake preincubated for 30 mins followed by incubation with 6-CFL and measured after 15 mins by fluorescence based analysis
50017589	2	ChEMBL_2243233 (CHEMBL5157443)	Inhibition of URAT1 (unknown origin)-mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by liquid scintillation counting analysis
50017589	3	ChEMBL_2243239 (CHEMBL5157449)	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells membrane vesicles assessed as inhibition of ATP-induced 14C-uric acid uptake preincubated for 15 mins followed by incubation with ATP and substrate for 5 mins by liquid scintillation counting analysis
50017589	4	ChEMBL_2243252 (CHEMBL5157462)	Inhibition of GLUT9 (unknown origin) expressed in HEK293T cells assessed as inhibition of uric acid-induced current by whole cell patch clamp technique
50017590	1	ChEMBL_2243265 (CHEMBL5157475)	Inhibition of MAO-A (unknown origin)
50017590	2	ChEMBL_2243266 (CHEMBL5157476)	Inhibition of MAO-B (unknown origin)
50017590	3	ChEMBL_2243267 (CHEMBL5157477)	Inhibition of aromatase (unknown origin)
50017591	1	ChEMBL_2243272 (CHEMBL5157482)	Inhibition of MAO-A (unknown origin) expressed in mouse GL26 cells using 14C 5-hydroxytryptamine as substrate pre-incubated for 20 mins followed by substrate addition measured after 20 mins by liquid scintillation spectroscopy
50017591	2	ChEMBL_2243273 (CHEMBL5157483)	Inhibition of human HDAC1 (379 to 382 residues) using RHKKAc-AMC fluorogenic peptide as substrate by fluorescence assay
50017591	3	ChEMBL_2243274 (CHEMBL5157484)	Inhibition of human HDAC2 (379 to 382 residues) using RHKKAc-AMC fluorogenic peptide as substrate by fluorescence assay
50017591	4	ChEMBL_2243275 (CHEMBL5157485)	Inhibition of human HDAC6 (379 to 382 residues) using RHKKAc fluorogenic peptide as substrate by fluorescence assay
50017591	5	ChEMBL_2243276 (CHEMBL5157486)	Inhibition of human HDAC8 (379 to 382 residues) using RHKKAcKAc-AMC fluorogenic peptide as substrate by fluorescence assay
50017591	6	ChEMBL_2243277 (CHEMBL5157487)	Inhibition of human LSD1 assessed as demethylase activity of LSD1 using Histone H3(1-21)K4me2 peptide as substrate incubated for 30 mins followed by substrate addition by amplex red dye based HRP-coupled assay
50017594	1	ChEMBL_2243355 (CHEMBL5157565)	Inhibition of recombinant Chlamydia trachomatis HtrA serine protease using MeOCoum-ENLHLPLPI1F-D as substrate measured after 30 mins
50017594	2	ChEMBL_2243357 (CHEMBL5157567)	Inhibition of human neutrophil elastase using methoxysuccinyl-Ala-Ala-Pro-Val-pNA as substrate incubated for 10 mins
50017595	1	ChEMBL_2243373 (CHEMBL5157583)	Inhibition of KRAS G12C mutant (unknown origin) assessed as inhibition of SOS1-catalyzed nucleotide exchange measured by HTRF assay
50017596	1	ChEMBL_2243419 (CHEMBL5157629)	Inhibition of PHD2 (unknown origin) measured by fluorescence polarization assay
50017596	2	ChEMBL_2243420 (CHEMBL5157630)	Inhibition of HDAC1 (unknown origin) using trypsin and Ac-peptide as substrates
50017596	3	ChEMBL_2243421 (CHEMBL5157631)	Inhibition of HDAC2 (unknown origin) using trypsin and Ac-peptide as substrates
50017596	4	ChEMBL_2243422 (CHEMBL5157632)	Inhibition of HDAC4 (unknown origin) using trypsin and Ac-peptide as substrates
50017596	5	ChEMBL_2243423 (CHEMBL5157633)	Inhibition of HDAC6 (unknown origin) using trypsin and Ac-peptide as substrates
50017597	1	ChEMBL_2243440 (CHEMBL5157650)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane measured by competitive radioligand receptor binding assay
50017597	2	ChEMBL_2243441 (CHEMBL5157651)	Displacement of [3H]-DPDPE from DOR in rat brain membranes measured by competitive radioligand receptor binding assay
50017597	3	ChEMBL_2243442 (CHEMBL5157652)	Displacement of [3H]-U69593 from KOR in guinea pig brain membranes measured by competitive radioligand receptor binding assay
50017597	4	ChEMBL_2243443 (CHEMBL5157653)	Displacement of [3H]-DAMGO from MOR in guinea pig brain membranes measured by competitive radioligand receptor binding assay
50017597	5	ChEMBL_2243444 (CHEMBL5157654)	Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membrane measured by competitive radioligand receptor binding assay
50017598	1	ChEMBL_2243448 (CHEMBL5157658)	Inhibition of human NaPi2b expressed in KJMGER8 cells assessed as reduction in H2[33P]O4 uptake incubated for 60 mins by TopCount scintillation counting method
50017598	2	ChEMBL_2243466 (CHEMBL5157676)	Inhibition of human NaPi2a (unknown origin)
50017601	1	ChEMBL_2243510 (CHEMBL5157720)	Inhibition of human full-length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cell using fluorogenic HDAC class 2a substrate measured after 30 mins by fluorimetry
50017601	2	ChEMBL_2243511 (CHEMBL5157721)	Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using fluorogenic HDAC substrate 3 measured after 30 mins by fluorimetry
50017601	3	ChEMBL_2243512 (CHEMBL5157722)	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489) expressed in baculovirus infected Sf9 insect cells using fluorogenic HDAC substrate measured after 30 mins by fluorimetry
50017601	4	ChEMBL_2243513 (CHEMBL5157723)	Inhibition of recombinant human full-length C-terminal Flag-His6-tagged HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using fluorogenic HDAC substrate measured after 30 mins by fluorimetry
50017601	5	ChEMBL_2243514 (CHEMBL5157724)	Inhibition of HDAC in human HeLa cell nuclear extracts using color de Lys as substrate measured after 30 mins by colorimetric assay
50017601	6	ChEMBL_2243517 (CHEMBL5157727)	Inhibition of recombinant human N-terminal GST-fused/C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected Sf9 insect cells using fluorogenic HDAC class 2a substrate measured after 30 mins by fluorimetry
50017601	7	ChEMBL_2243518 (CHEMBL5157728)	Inhibition of HDAC1 (unknown origin) using FAM-RHKK(Ac)-NH2/FAM-RHKK(trifluoroacetyl)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by microfluidic chip based fluorescence assay
50017601	8	ChEMBL_2243519 (CHEMBL5157729)	Inhibition of HDAC3 (unknown origin) using FAM-RHKK(Ac)-NH2/FAM-RHKK(trifluoroacetyl)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by microfluidic chip based fluorescence assay
50017601	9	ChEMBL_2243520 (CHEMBL5157730)	Inhibition of HDAC8 (unknown origin) using FAM-RHKK(Ac)-NH2/FAM-RHKK(trifluoroacetyl)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by microfluidic chip based fluorescence assay
50017601	10	ChEMBL_2243521 (CHEMBL5157731)	Inhibition of HDAC6 (unknown origin) using FAM-RHKK(Ac)-NH2/FAM-RHKK(trifluoroacetyl)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by microfluidic chip based fluorescence assay
50017601	11	ChEMBL_2243522 (CHEMBL5157732)	Inhibition of HDAC4 (unknown origin) using FAM-RHKK(Ac)-NH2/FAM-RHKK(trifluoroacetyl)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 3 hrs by microfluidic chip based fluorescence assay
50017602	1	ChEMBL_2243596 (CHEMBL5157806)	Displacement of [3H]-CP-55,940 from CB1R in rat brain membranes measured by radioligand based competition binding assay
50017602	2	ChEMBL_2243597 (CHEMBL5157807)	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation measured for 60 mins by Lance Ultra cAMP assay
50017602	3	ChEMBL_2243599 (CHEMBL5157809)	Agonist activity at N-terminal 3HA-tagged human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation measured for 30 mins by FRET assay
50017602	4	ChEMBL_2243601 (CHEMBL5157811)	Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as assessed as induction of beta-arrestin 2 recruitment measured for 90 mins by PathHunter assay
50017603	1	ChEMBL_2243610 (CHEMBL5157820)	Agonist activity at pBIND tagged human PPARgamma expressed in human HEK293 cells incubated for 18 hrs by dual luciferase reporter assay relative to control
50017603	2	ChEMBL_2243611 (CHEMBL5157821)	Agonist activity at human FFA1 expressed in CHO cells assessed as increase in calcium level measured by Fluo-4-AM staining based FLIPR assay
50017603	3	ChEMBL_2243612 (CHEMBL5157822)	Agonist activity at pBIND tagged human PPARalpha expressed in human HepG2 cells incubated for 18 hrs by dual luciferase reporter assay
50017603	4	ChEMBL_2243614 (CHEMBL5157824)	Agonist activity at pBIND tagged human PPARdelta expressed in human HepG2 cells incubated for 18 hrs by dual luciferase reporter assay
50017604	1	ChEMBL_2243619 (CHEMBL5157829)	Inhibition of human ChemR23 expressed in CAL-1 cells assessed as reduction in chemerin-induced calcium signaling
50017604	2	ChEMBL_2243620 (CHEMBL5157830)	Agonist activity at human ChemR23 expressed in CAL-1 assessed as increase in calcium mobilization
50017604	3	ChEMBL_2243642 (CHEMBL5157852)	Inhibition of human ChemR23 expressed in CAL-1 cells assessed as receptor internalization
50017606	1	ChEMBL_2243667 (CHEMBL5157877)	Inhibition of pig brain tubulin polymerization
50017610	1	ChEMBL_2243689 (CHEMBL5157899)	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane by competitive radioligand receptor binding assay
50017610	2	ChEMBL_2243690 (CHEMBL5157900)	Displacement of [3H]di-O-tolylguanidine from sigma 2 receptor in rat liver membrane by competitive radioligand receptor binding assay
50017614	1	ChEMBL_2243774 (CHEMBL5157984)	Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
50017614	2	ChEMBL_2243775 (CHEMBL5157985)	Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
50017614	3	ChEMBL_2243776 (CHEMBL5157986)	Agonist activity at S1P3 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
50017615	1	ChEMBL_2243862 (CHEMBL5158072)	Inhibition of human recombinant NEK1 (1 to 505 residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radiometric scintillation counting assay
50017615	2	ChEMBL_2243864 (CHEMBL5158074)	Inhibition of human recombinant NEK1 (1 to 505 residues) using ULight-p70 S6K peptide as substrate incubated for 30 mins by LANCE Ultra TR-FRET assay
50017616	1	ChEMBL_2243937 (CHEMBL5158147)	Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid scintillation counter
50017616	2	ChEMBL_2243939 (CHEMBL5158149)	Inhibition of CYP1A2 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysis
50017616	3	ChEMBL_2243940 (CHEMBL5158150)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysis
50017616	4	ChEMBL_2243941 (CHEMBL5158151)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysis
50017616	5	ChEMBL_2243942 (CHEMBL5158152)	Inhibition of CYP2D6 in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysis
50017616	6	ChEMBL_2243943 (CHEMBL5158153)	Inhibition of CYP3A4M in human liver microsomes in presence of NADPH incubated for 3 to 20 mins by LC-MS/MS analysis
50017619	1	ChEMBL_2244006 (CHEMBL5158216)	Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase/beta-galactosidase reporter gene assay
50017619	2	ChEMBL_2244007 (CHEMBL5158217)	Agonist activity at human PPARgamma expressed in HEK293 cells by luciferase/beta-galactosidase reporter gene assay
50017619	3	ChEMBL_2244008 (CHEMBL5158218)	Agonist activity at human PPARdelta expressed in HEK293 cells by luciferase/beta-galactosidase reporter gene assay
50017621	1	ChEMBL_2244046 (CHEMBL5158256)	Agonist activity at human NPBWR1 expressed in CHO-RD-HGA16 cells measured by calcium mobilization assay
50017621	2	ChEMBL_2244049 (CHEMBL5158259)	Antagonist activity at human NPBWR1 expressed in CHO-RD-HGA16 cells measured by calcium mobilization assay
50017621	3	ChEMBL_2244050 (CHEMBL5158260)	Agonist activity at human NPBWR1 expressed in CHO cells measured by LANCE Ultra cAMP kit-based TR-FRET assay
50017621	4	ChEMBL_2244054 (CHEMBL5158264)	Partial agonist activity at human NPBWR1 expressed in CHO cells measured by LANCE Ultra cAMP kit-based TR-FRET assay
50017622	1	ChEMBL_2244056 (CHEMBL5158266)	Inhibition of recombinant Mycobacterium tuberculosis DprE1 measured by resazurin dye based assay
50017622	2	ChEMBL_2244060 (CHEMBL5158270)	Inhibition of hERG
50017625	1	ChEMBL_2244075 (CHEMBL5158285)	Inhibition of amyloid beta (1 to 42 ) (unknown origin) self aggregation measured after 3 hrs by ThT fluorescence assay
50017625	2	ChEMBL_2244079 (CHEMBL5158289)	Inhibition of C-terminal 6His-tagged human recombinant BuChE (29 to 602 residues) using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017625	3	ChEMBL_2244080 (CHEMBL5158290)	Inhibition of C-terminal 6His-tagged human recombinant AChE (32 to 614 residues) expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017625	4	ChEMBL_2244091 (CHEMBL5158301)	Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017625	5	ChEMBL_2244092 (CHEMBL5158302)	Inhibition of human plasma BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50017626	1	ChEMBL_2244105 (CHEMBL5158315)	Inhibition of ALK-2 (unknown origin)
50017626	2	ChEMBL_2244115 (CHEMBL5158325)	Inhibition of GSK3beta (unknown origin)
50017627	1	ChEMBL_2244122 (CHEMBL5158332)	Inhibition of SARS-CoV-2 3CL protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 fluorogenic peptide as substrate incubated for 30 mins and measured by FRET assay
50017631	1	ChEMBL_2244127 (CHEMBL5158337)	Inhibition of full length human recombinant HDAC3 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	2	ChEMBL_2244128 (CHEMBL5158338)	Inhibition of full length human recombinant HDAC6 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	3	ChEMBL_2244129 (CHEMBL5158339)	Inhibition of full length human recombinant HDAC8 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	4	ChEMBL_2244130 (CHEMBL5158340)	Inhibition of full length human recombinant HDAC11 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	5	ChEMBL_2244138 (CHEMBL5158348)	Binding affinity to full length human recombinant HDAC6 expressed in Sf9 baculovirus system assessed as inhibition constant
50017631	6	ChEMBL_2244139 (CHEMBL5158349)	Inhibition of full length human recombinant HDAC1 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	7	ChEMBL_2244140 (CHEMBL5158350)	Inhibition of full length human recombinant HDAC2 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	8	ChEMBL_2244141 (CHEMBL5158351)	Inhibition of full length human recombinant HDAC4 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	9	ChEMBL_2244142 (CHEMBL5158352)	Inhibition of full length human recombinant HDAC5 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	10	ChEMBL_2244143 (CHEMBL5158353)	Inhibition of full length human recombinant HDAC7 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	11	ChEMBL_2244144 (CHEMBL5158354)	Inhibition of full length human recombinant HDAC9 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity by EMSA method
50017631	12	ChEMBL_2244145 (CHEMBL5158355)	Inhibition of full length human recombinant HDAC10 expressed in Sf9 baculovirus system using FAM-labeled acetylated peptide as substrate by measuring fluorescence intensity
50017632	1	ChEMBL_2244256 (CHEMBL5158466)	Inhibition of recombinant human liver Cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate incubated for 120 mins by fluorescence assay
50017632	2	ChEMBL_2244257 (CHEMBL5158467)	Inhibition of Cathepsin E (unknown origin) using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate incubated for 120 mins by fluorescence assay
50017632	3	ChEMBL_2244258 (CHEMBL5158468)	Inhibition of BACE1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-Lys(Dnp)-Arg-Arg-NH2 as substrate incubated for 120 mins by fluorescence assay
50017634	1	ChEMBL_2244275 (CHEMBL5158485)	Inhibition of 6-His tagged-G4SG4 fused DENV2 NS2B (1394 to 1440 residues) -NS3 (1476 to 1660 residue) expressed in Escherichia coli BL21 (DE3) using Bz-Nle-K-RR-AMC substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50017634	2	ChEMBL_2244278 (CHEMBL5158488)	Inhibition of human trypsin
50017637	1	ChEMBL_2244281 (CHEMBL5158491)	Agonist activity at AhR in human recombinant HepG2-Lucia AhR cell incubated for 24 hrs by luciferase reporter gene assay
50017637	2	ChEMBL_2244299 (CHEMBL5158509)	Inhibition of hERG channel in HEK293 cells by whole-cell patch clamp assay
50017637	3	ChEMBL_2244313 (CHEMBL5158523)	Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50017637	4	ChEMBL_2244314 (CHEMBL5158524)	Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50017637	5	ChEMBL_2244315 (CHEMBL5158525)	Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis
50017638	1	ChEMBL_2244372 (CHEMBL5158582)	Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells measured by calcium mobilization assay
50017638	2	ChEMBL_2244373 (CHEMBL5158583)	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by Scatchard plot analysis
50017638	3	ChEMBL_2244374 (CHEMBL5158584)	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells measured by 12G5 competitive binding method
50017638	4	ChEMBL_2244375 (CHEMBL5158585)	Antagonist activity at CXCR4 receptor in human SUP-T1 cells assessed as reduction in SDF-1alpha-stimulated cell migration and measured by CellTiter-96 assay
50017640	1	ChEMBL_2244408 (CHEMBL5158618)	Inhibition of full-length ovine COX-1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetry
50017640	2	ChEMBL_2244409 (CHEMBL5158619)	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetry
50017641	1	ChEMBL_2244453 (CHEMBL5158663)	Inhibition of His-tagged full length recombinant BRD4 (unknown origin) (21 to 153 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017641	2	ChEMBL_2244454 (CHEMBL5158664)	Inhibition of His-tagged recombinant BRD2 (unknown origin) (11 to 162 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017641	3	ChEMBL_2244455 (CHEMBL5158665)	Inhibition of His-tagged recombinant BRD3 (unknown origin) (11 to 166 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017641	4	ChEMBL_2244456 (CHEMBL5158666)	Inhibition of His-tagged recombinant BRDT (unknown origin) (21 to 153 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017641	5	ChEMBL_2244457 (CHEMBL5158667)	Inhibition of His-tagged recombinant BRPF3 (unknown origin) (11 to 188 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017641	6	ChEMBL_2244458 (CHEMBL5158668)	Inhibition of His-tagged recombinant BRD1 (unknown origin) (11 to 190 residues) using SGRGK(Ac)GGK(Ac)GLGK(Ac)GGAK(Ac)RHRK(Biotin)-OH as substrate measured after 1 hr by HTRF assay
50017642	1	ChEMBL_2244525 (CHEMBL5158735)	Inhibition of mPGES-1 activity in human A549 microsomal preparation using PGH2 as substrate preincubated for 15 mins followed by substrate addition for 1 min by RP-HPLC analysis
50017642	2	ChEMBL_2244526 (CHEMBL5158736)	Inhibition of human recombinant LTC4S expressed in HEK293 cell microsomal fraction preincubated for 10 mins followed by LTA4-methyl ester addition and measured after 10 mins by UPLC-MS/MS analysis
50017642	3	ChEMBL_2244527 (CHEMBL5158737)	Inhibition of 5-LO in human leucocytes by measuring FLAP-dependent 5-LOproduct LTB4 in presence of calcium ionophore A23187
50017642	4	ChEMBL_2244528 (CHEMBL5158738)	Inhibition of recombinant LTC4S (unknown origin) expressed in COS cells
50017642	5	ChEMBL_2244529 (CHEMBL5158739)	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as inhibition of FLAP-dependent 5-LO product LTB4 formation preincubated for 15 mins followed by arachidonic acid addition and measured after 10 mins by RP-HPLC analysis
50017643	1	ChEMBL_2244549 (CHEMBL5158759)	Activation of human ABCG2-mediated ATPase activity preincubated for 2 mins followed by ATP addition and measured after 20 mins by colorimetric assay
50017643	2	ChEMBL_2244550 (CHEMBL5158760)	Inhibition of human ABCG2-mediated ATPase activity preincubated for 2 mins followed by ATP addition and measured after 20 mins by colorimetric assay
50017643	3	ChEMBL_2244552 (CHEMBL5158762)	Inhibition of human ABCG2 in human R5 cells assessed as inhibition of mitoxantrone efflux measured by flow cytometric analysis
50017643	4	ChEMBL_2244553 (CHEMBL5158763)	Binding affinity towards human adenosine A3 receptor
50017643	5	ChEMBL_2244554 (CHEMBL5158764)	Binding affinity towards mouse adenosine A3 receptor
50017643	6	ChEMBL_2244557 (CHEMBL5158767)	Binding affinity towards human kappa opioid receptor
50017644	1	ChEMBL_2244720 (CHEMBL5158930)	Inhibition of TG2 (unknown origin) using Cbz-Glu(gamma-p-nitrophenyl ester)Gly (AL5) as substrate and measured by colorimetric assay
50017646	1	ChEMBL_2244739 (CHEMBL5158949)	Inhibition of PKCeta (unknown origin) by IMAP kinase assay
50017646	2	ChEMBL_2244801 (CHEMBL5159011)	Inhibition of AURA (unknown origin)
50017646	3	ChEMBL_2244802 (CHEMBL5159012)	Inhibition of AURB (unknown origin)
50017646	4	ChEMBL_2244803 (CHEMBL5159013)	Inhibition of AURC (unknown origin)
50017646	5	ChEMBL_2244804 (CHEMBL5159014)	Inhibition of PKCalpha (unknown origin)
50017646	6	ChEMBL_2244805 (CHEMBL5159015)	Inhibition of PKCbeta1 (unknown origin) by IMAP kinase assay
50017646	7	ChEMBL_2244806 (CHEMBL5159016)	Inhibition of PKCbeta2 (unknown origin) by IMAP kinase assay
50017646	8	ChEMBL_2244807 (CHEMBL5159017)	Inhibition of PKCdelta (unknown origin) by IMAP kinase assay
50017646	9	ChEMBL_2244808 (CHEMBL5159018)	Inhibition of PKCnu (unknown origin) by IMAP kinase assay
50017646	10	ChEMBL_2244809 (CHEMBL5159019)	Inhibition of PKCepsilon (unknown origin) by IMAP kinase assay
50017646	11	ChEMBL_2244810 (CHEMBL5159020)	Inhibition of full length human PKCtheta using 5-FAM-RFARKGSLRQKNV-OH peptide substrate incubated for 30 mins by IMAP kinase assay
50017646	12	ChEMBL_2244811 (CHEMBL5159021)	Inhibition of PKA (unknown origin)
50017646	13	ChEMBL_2244812 (CHEMBL5159022)	Inhibition of PKbeta (unknown origin)
50017650	1	ChEMBL_2244920 (CHEMBL5159130)	Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 as substrate incubated for 3 hrs in presence of ATP by electrophoretic analysis
50017650	2	ChEMBL_2244921 (CHEMBL5159131)	Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) expressed in baculovirus expression system using (5 -FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 as substrate incubated for 3 hrs in presence of ATP by electrophoretic analysis
50017650	3	ChEMBL_2244924 (CHEMBL5159134)	Inhibition of full length human AAK1 expressed in HEK293F incubated for 3 hrs by Western blot analysis
50017650	4	ChEMBL_2244941 (CHEMBL5159151)	Inhibition of BIKE (unknown origin)
50017650	5	ChEMBL_2244942 (CHEMBL5159152)	Inhibition of CHK1 (unknown origin)
50017650	6	ChEMBL_2244943 (CHEMBL5159153)	Inhibition of GSK3beta (unknown origin)
50017650	7	ChEMBL_2244944 (CHEMBL5159154)	Inhibition of MNK1 (unknown origin)
50017650	8	ChEMBL_2244955 (CHEMBL5159165)	Inhibition of recombinant JAK1 (837 to 1142 residues) (unknown origin) by HTRF assay
50017650	9	ChEMBL_2244956 (CHEMBL5159166)	Inhibition of recombinant JAK2 (828 to 1132 residues) (unknown origin) by HTRF assay
50017650	10	ChEMBL_2244957 (CHEMBL5159167)	Inhibition of GAK (unknown origin)
50017650	11	ChEMBL_2244959 (CHEMBL5159169)	Inhibition of MPSK1 (unknown origin)
50017650	12	ChEMBL_2244960 (CHEMBL5159170)	Inhibition of AAK1 (unknown origin)
50017650	13	ChEMBL_2244961 (CHEMBL5159171)	Binding affinity to AAK1 (unknown origin)
50017650	14	ChEMBL_2244962 (CHEMBL5159172)	Binding affinity to BIKE (unknown origin)
50017650	15	ChEMBL_2244963 (CHEMBL5159173)	Binding affinity to GAK (unknown origin)
50017651	1	ChEMBL_2244965 (CHEMBL5159175)	Inhibition of human HGPRT using PRib-PP as substrate by spectrophotometric assay
50017653	1	ChEMBL_2245018 (CHEMBL5159228)	Inhibition of recombinant human CA 1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50017653	2	ChEMBL_2245019 (CHEMBL5159229)	Inhibition of recombinant human CA 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50017653	3	ChEMBL_2245020 (CHEMBL5159230)	Inhibition of recombinant human CA 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50017653	4	ChEMBL_2245021 (CHEMBL5159231)	Inhibition of recombinant human CA 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50017656	1	ChEMBL_2245161 (CHEMBL5159371)	Inhibition of Electric eel AChE by Ellman's method
50017656	2	ChEMBL_2245163 (CHEMBL5159373)	Inhibition of Human AChE by Ellman's method
50017656	3	ChEMBL_2245169 (CHEMBL5159379)	Inhibition of human MAO-B by fluorescence assay
50017658	1	ChEMBL_2245201 (CHEMBL5159411)	Inhibition of human recombinant full length ATR using GST-cMyc-p53 as substrate incubated for 40 mins in presence of ATP by HTRF assay
50017658	2	ChEMBL_2245266 (CHEMBL5159476)	Inhibition of human recombinant B-raf (416 to end residue) using myelin-Bas as substrate incubated for 40 mins in presence of ATP by scintillation counting method
50017660	1	ChEMBL_2245278 (CHEMBL5159488)	Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorimetric analysis
50017661	1	ChEMBL_2245282 (CHEMBL5159492)	Agonist activity at human MC1R expressed in HEK293 cells assessed as maximal intracellular cAMP accumulation by fluorescence based analysis
50017661	2	ChEMBL_2245284 (CHEMBL5159494)	Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells by competitive binding assay
50017661	3	ChEMBL_2245285 (CHEMBL5159495)	Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in HEK293 cells by competitive binding assay
50017661	4	ChEMBL_2245286 (CHEMBL5159496)	Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in HEK293 cells by competitive binding assay
50017661	5	ChEMBL_2245287 (CHEMBL5159497)	Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells by competitive binding assay
50017661	6	ChEMBL_2245289 (CHEMBL5159499)	Agonist activity at human MC3R expressed in HEK293 cells assessed as maximal intracellular cAMP accumulation by fluorescence based analysis
50017661	7	ChEMBL_2245291 (CHEMBL5159501)	Agonist activity at human MC4R expressed in HEK293 cells assessed as maximal intracellular cAMP accumulation by fluorescence based analysis
50017661	8	ChEMBL_2245293 (CHEMBL5159503)	Agonist activity at human MC5R expressed in HEK293 cells assessed as maximal intracellular cAMP accumulation by fluorescence based analysis
50017662	1	ChEMBL_2245294 (CHEMBL5159504)	Inhibition of PDE10A2 (449 to 770 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	2	ChEMBL_2245295 (CHEMBL5159505)	Inhibition of PDE7A1 (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	3	ChEMBL_2245296 (CHEMBL5159506)	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	4	ChEMBL_2245298 (CHEMBL5159508)	Inhibition of PDE4D (unknown origin)
50017662	5	ChEMBL_2245299 (CHEMBL5159509)	Inhibition of PDE4D expressed in human U-937 cells using cAMP as substrate
50017662	6	ChEMBL_2245300 (CHEMBL5159510)	Inhibition of PDE4D2 (86 to 413 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	7	ChEMBL_2245301 (CHEMBL5159511)	Inhibition of PDE4B2 (152 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	8	ChEMBL_2245302 (CHEMBL5159512)	Inhibition of PDE1B (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	9	ChEMBL_2245303 (CHEMBL5159513)	Inhibition of PDE2A (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	10	ChEMBL_2245304 (CHEMBL5159514)	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	11	ChEMBL_2245305 (CHEMBL5159515)	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	12	ChEMBL_2245306 (CHEMBL5159516)	Inhibition of PDE9A2 (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H-GMP] or [3H-AMP] as substrate incubated for 15 mins by liquid scintillation counting method
50017662	13	ChEMBL_2245316 (CHEMBL5159526)	Inhibition of hERG by Q patch automated patch-clamp method
50017663	1	ChEMBL_2245384 (CHEMBL5159594)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50017663	2	ChEMBL_2245385 (CHEMBL5159595)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50017663	3	ChEMBL_2245386 (CHEMBL5159596)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50017663	4	ChEMBL_2245387 (CHEMBL5159597)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50017664	1	ChEMBL_2245452 (CHEMBL5159662)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as reduction in 6-OAU induced intracellular calcium response preincubated for 10 mins followed by agonist addition and measured after 1 min by calcium mobilization assay
50017664	2	ChEMBL_2245453 (CHEMBL5159663)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as reduction in 3-OH-C12 induced intracellular calcium response preincubated for 10 mins followed by agonist addition and measured after 1 min by calcium mobilization assay
50017664	3	ChEMBL_2245454 (CHEMBL5159664)	Antagonist activity at human GPR84 expressed in HEK293 cells assessed as reversal of 6-OAU induced inhibition of forskolin induced intracellular cAMP production
50017664	4	ChEMBL_2245455 (CHEMBL5159665)	Antagonist activity at mouse GPR84 expressed in HEK293 cells assessed as reduction in 6-OAU induced intracellular calcium response preincubated for 10 mins followed by agonist addition and measured after 1 min by calcium mobilization assay
50017664	5	ChEMBL_2245456 (CHEMBL5159666)	Antagonist activity at human GPR84 expressed in CHO-K1 cells assessed as reduction in 6-OAU induced intracellular cAMP production pretreated for 15 mins followed by forskolin and agonist addition and measured after 30 mins by HitHunter luminescence based microplate reader assay
50017664	6	ChEMBL_2245476 (CHEMBL5159686)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 3-OH-C12-induced calcium response curve by measuring agonist EC50 at 10 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017664	7	ChEMBL_2245477 (CHEMBL5159687)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 3-OH-C12-induced calcium response curve by measuring agonist EC50 at 30 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017664	8	ChEMBL_2245478 (CHEMBL5159688)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 3-OH-C12-induced calcium response curve by measuring agonist EC50 at 100 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017664	9	ChEMBL_2245479 (CHEMBL5159689)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 6-OAU-induced calcium response curve by measuring agonist EC50 at 30 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017664	10	ChEMBL_2245480 (CHEMBL5159690)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 6-OAU-induced calcium response curve by measuring agonist EC50 at 100 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017664	11	ChEMBL_2245481 (CHEMBL5159691)	Antagonist activity at human GPR84 expressed in HEK293 cells co-expressing Galpha16 assessed as right shift in 6-OAU-induced calcium response curve by measuring agonist EC50 at 300 nM preincubated for 10 mins and measured after 1 min of agonist stimulation by schild plot analysis
50017665	1	ChEMBL_2245500 (CHEMBL5159710)	Inhibition of recombinant human MAO-B using benzylamine as substrate
50017665	2	ChEMBL_2245502 (CHEMBL5159712)	Inhibition of N-terminal His/GST-tagged human LSD1 (172 to 852 residues) expressed in expressed in baculovirus infected insect cells using biotinylated H3K4Me2 peptide as substrate by TR-FRET assay
50017665	3	ChEMBL_2245503 (CHEMBL5159713)	Inhibition of recombinant human full length LSD2 using biotinylated H3K4Me2 peptide as substrate by TR-FRET assay
50017665	4	ChEMBL_2245504 (CHEMBL5159714)	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate incubated for 1 hr by luciferin-based luminescence assay
50017665	5	ChEMBL_2245505 (CHEMBL5159715)	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using luminogenic MAO substrate incubated for 1 hr by luciferin-based luminescence assay
50017665	6	ChEMBL_2245517 (CHEMBL5159727)	Inhibition of hERG potassium channel in CHO cells at -80 mV holding potential by QPatch automated patch clamp assay
50017665	7	ChEMBL_2245529 (CHEMBL5159739)	Inhibition of N-terminal His-tagged human LSD1 expressed in Escherichia coli using biotinylated H3K4Me2 peptide as substrate incubated for 60 min by peroxidase-coupled method
50017665	8	ChEMBL_2245530 (CHEMBL5159740)	Inhibition of human LSD1 using H3K4Me1 peptide as substrate incubated for 60 min by peroxidase-coupled method
50017665	9	ChEMBL_2245531 (CHEMBL5159741)	Inhibition of human LSD2 using H3K4Me2 peptide as substrate incubated for 60 min by peroxidase-coupled method
50017665	10	ChEMBL_2245532 (CHEMBL5159742)	Inhibition of recombinant human MAO-A using kynuramine as substrate
50017665	11	ChEMBL_2245533 (CHEMBL5159743)	Inhibition of human LSD1
50017665	12	ChEMBL_2245534 (CHEMBL5159744)	Inhibition of human LSD2
50017665	13	ChEMBL_2245535 (CHEMBL5159745)	Inhibition of human MAOA
50017665	14	ChEMBL_2245536 (CHEMBL5159746)	Inhibition of human MAOB
50017665	15	ChEMBL_2245537 (CHEMBL5159747)	Inhibition of human LSD1 using H3K4Me2 peptide as substrate incubated for 60 min by horseradish peroxidase coupled assay
50017666	1	ChEMBL_2245590 (CHEMBL5159800)	Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by substrate addition measured by fluorescence assay
50017668	1	ChEMBL_2245689 (CHEMBL5159899)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis
50017673	1	ChEMBL_2245806 (CHEMBL5160016)	Binding affinity to immobilized Halo tag-fused beta2 adrenoceptor (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant by receptor chromatography
50017673	2	ChEMBL_2245809 (CHEMBL5160019)	Binding affinity to immobilized Halo tag-fused CysLT receptor (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant by receptor chromatography
50017674	1	ChEMBL_2245815 (CHEMBL5160025)	Inhibition of human PIK3CA
50017674	2	ChEMBL_2245823 (CHEMBL5160033)	Inhibition of human Haspin kinase domain using histone H3 biotin peptide as substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 90 mins by luminescence based analysis
50017674	3	ChEMBL_2245830 (CHEMBL5160040)	Inhibition of hERG by Qpatch-clamp method
50017674	4	ChEMBL_2245831 (CHEMBL5160041)	Binding affinity to human CDK7
50017674	5	ChEMBL_2245832 (CHEMBL5160042)	Binding affinity to human FLT3
50017674	6	ChEMBL_2245833 (CHEMBL5160043)	Binding affinity to human KIT
50017674	7	ChEMBL_2245834 (CHEMBL5160044)	Binding affinity to human PIM1
50017674	8	ChEMBL_2245835 (CHEMBL5160045)	Binding affinity to human PIM2
50017674	9	ChEMBL_2245836 (CHEMBL5160046)	Binding affinity to human PIM3
50017674	10	ChEMBL_2245848 (CHEMBL5160058)	Binding affinity to human HASPIN
50017674	11	ChEMBL_2245849 (CHEMBL5160059)	Inhibition of human FLT3
50017674	12	ChEMBL_2245850 (CHEMBL5160060)	Inhibition of human PIM1
50017674	13	ChEMBL_2245903 (CHEMBL5160113)	Inhibition of CYP2C9 (unknown origin)
50017674	14	ChEMBL_2245904 (CHEMBL5160114)	Inhibition of CYP2C19 (unknown origin)
50017674	15	ChEMBL_2245905 (CHEMBL5160115)	Inhibition of CYP2C8 (unknown origin)
50017674	16	ChEMBL_2245906 (CHEMBL5160116)	Inhibition of CYP2B6 (unknown origin)
50017675	1	ChEMBL_2245961 (CHEMBL5160171)	Binding affinity to VCB E3 ligase (unknown origin) assessed as binary equilibrium dissociation constant by surface plasmon resonance analysis
50017677	1	ChEMBL_2246001 (CHEMBL5160211)	Competitive inhibition of ATM (unknown origin) measured by ATP-competitive binding assay
50017677	2	ChEMBL_2246002 (CHEMBL5160212)	Inhibition of ATM in human MCF7 cells assessed as decrease in pKAP-1 level measured by In-cell western assay
50017678	1	ChEMBL_2246142 (CHEMBL5160352)	Inhibition of human liver CYP1A2 expressed in baculovirus-infected insect cell supersomes assessed as phenacetin O-deethylation
50017678	2	ChEMBL_2246143 (CHEMBL5160353)	Inhibition of human liver CYP2C9 expressed in baculovirus-infected insect cell supersomes assessed as diclofenac 4-hydroxylation
50017678	3	ChEMBL_2246144 (CHEMBL5160354)	Inhibition of human liver CYP2C19 expressed in baculovirus-infected insect cell supersomes assessed as mephenytoin 4-hydroxylation
50017678	4	ChEMBL_2246145 (CHEMBL5160355)	Inhibition of human liver CYP2D6 expressed in baculovirus-infected insect cell supersomes assessed as dextromethorphan O-demethylation
50017678	5	ChEMBL_2246146 (CHEMBL5160356)	Inhibition of human liver CYP2E1 expressed in baculovirus-infected insect cell supersomes assessed as chlorzoxazone 6-hydroxylation
50017678	6	ChEMBL_2246147 (CHEMBL5160357)	Inhibition of human liver CYP3A4 expressed in baculovirus-infected insect cell supersomes assessed as testosterone 6-hydroxylation
50017679	1	ChEMBL_2246242 (CHEMBL5160452)	Inhibition of STS in human MCF7 cells assessed as reduction in [3H]estradiol and [3H]estrone formation using [3H]estrone sulfate as substrate incubated for 20 hrs
50017679	2	ChEMBL_2246270 (CHEMBL5160480)	Inhibition of STS in human MCF7 cells using [3H]E1S as substrate incubated for 20 hrs by radioisotope cellular assay
50017679	3	ChEMBL_2246273 (CHEMBL5160483)	Inhibition of human placental STS using [3H]E1S as substrate incubated for 3 hrs by radioisotope enzymatic assay
50017681	1	ChEMBL_2246301 (CHEMBL5160511)	Inhibition of IDO1 in IFN gamma-stimulated human HeLa cells measured after 48 hrs by fluorescence based microplate reader assay
50017681	2	ChEMBL_2246302 (CHEMBL5160512)	Inhibition of IDO1 in IFNgamma/LPS stimulated human whole blood assessed as unbound concentration using kynurenine/tryptophan as substrate preincubated with compound for 15 mins followed by incubation with IFNgamma/LPS for 18 hrs by LC/MS/MS analysis
50017681	3	ChEMBL_2246303 (CHEMBL5160513)	Inhibition of MK-499 binding to hERG
50017681	4	ChEMBL_2246311 (CHEMBL5160521)	Inhibition of CYP2C9 (unknown origin)
50017681	5	ChEMBL_2246312 (CHEMBL5160522)	Displacement of [3H] labeled-N-(4-Fluorophenyl)-3-(4-(4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-3-yl)phenyl)oxetane-3-carboxamide from human IDO1 assessed as dissociation constant by radioligand binding assay
50017681	6	ChEMBL_2246313 (CHEMBL5160523)	Displacement of [3H] labeled-N-(4-Fluorophenyl)-3-(4-(4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-3-yl)phenyl)oxetane-3-carboxamide from human IDO1 assessed as inhibition constant by radioligand binding assay
50017682	1	ChEMBL_2246340 (CHEMBL5160550)	Inhibition of PDGFRalpha (unknown origin) by caliper mobility shift assay
50017682	2	ChEMBL_2246341 (CHEMBL5160551)	Inhibition of PDGFRbeta (unknown origin) by caliper mobility shift assay
50017683	1	ChEMBL_2246463 (CHEMBL5160673)	Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay
50017683	2	ChEMBL_2246477 (CHEMBL5160687)	Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay
50017683	3	ChEMBL_2246478 (CHEMBL5160688)	Inhibition of PLA2 (unknown origin)
50017685	1	ChEMBL_2246488 (CHEMBL5160698)	Inhibition of EGFR (unknown origin)
50017685	2	ChEMBL_2246489 (CHEMBL5160699)	Inhibition of P-gp (unknown origin)
50017685	3	ChEMBL_2246490 (CHEMBL5160700)	Inhibition of BCRP (unknown origin)
50017685	4	ChEMBL_2246496 (CHEMBL5160706)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	5	ChEMBL_2246500 (CHEMBL5160710)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.01 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	6	ChEMBL_2246501 (CHEMBL5160711)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.04 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	7	ChEMBL_2246502 (CHEMBL5160712)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.078 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	8	ChEMBL_2246503 (CHEMBL5160713)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.156 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	9	ChEMBL_2246504 (CHEMBL5160714)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.31 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	10	ChEMBL_2246505 (CHEMBL5160715)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 0.625 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	11	ChEMBL_2246506 (CHEMBL5160716)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 1.25 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	12	ChEMBL_2246507 (CHEMBL5160717)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity at 2.5 uM by measuring adriamycin IC50 after 48 hrs by MTT assay
50017685	13	ChEMBL_2246532 (CHEMBL5160742)	Reversal of P-gp-mediated multidrug resistance in human K562/A02 cells in presence of adriamycin after 48 hrs by MTT assay
50017688	1	ChEMBL_2246597 (CHEMBL5160807)	Binding affinity to biotinylated recombinant Rpn6 (unknown origin) assessed as dissociation constant by biolayer interferometry analysis
50017689	1	ChEMBL_2246766 (CHEMBL5160976)	Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS analysis
50017689	2	ChEMBL_2246767 (CHEMBL5160977)	Inhibition of CYP2C9 in human liver microsomes using as diclofenac substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS analysis
50017689	3	ChEMBL_2246768 (CHEMBL5160978)	Inhibition of CYP2C19 in human liver microsomes using as S-mephenytoin substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS analysis
50017689	4	ChEMBL_2246769 (CHEMBL5160979)	Inhibition of CYP2D6 in human liver microsomes using as dextromethorphan substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS analysis
50017689	5	ChEMBL_2246770 (CHEMBL5160980)	Inhibition of CYP3A4 in human liver microsomes using as midazolam substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS analysis
50017690	1	ChEMBL_2246779 (CHEMBL5160989)	Agonist activity at human FPR1 transfected in human HL-60 cells assessed as increase in calcium mobilization measured every 5 seconds for 240 secs by Fluo-4-AM dye based fluorescence assay
50017690	2	ChEMBL_2246780 (CHEMBL5160990)	Agonist activity at human FPR2 transfected in human HL-60 cells assessed as increase in calcium mobilization measured every 5 seconds for 240 secs by Fluo-4-AM dye based fluorescence assay
50017690	3	ChEMBL_2246782 (CHEMBL5160992)	Antagonist activity at human FPR2 transfected in human HL-60 cells assessed as inhibition of WKYMVM-induced intracellular calcium mobilization preincubated for 10 mins followed by WKYMVM addition measured every 5 seconds for 240 secs by Fluo-4-AM dye based fluorescence assay
50017690	4	ChEMBL_2246783 (CHEMBL5160993)	Antagonist activity at human FPR1 transfected in human HL-60 cells assessed as inhibition of fMLF-induced intracellular calcium mobilization preincubated for 10 mins followed by fMLF addition and measured every 5 seconds for 240 secs by Fluo-4-AM dye based fluorescence assay
50017693	1	ChEMBL_2246835 (CHEMBL5161045)	Inhibition of PDGFR-beta (unknown origin)
50017693	2	ChEMBL_2246836 (CHEMBL5161046)	Inhibition of c-Kit (unknown origin)
50017693	3	ChEMBL_2246837 (CHEMBL5161047)	Inhibition of PDGFR-alpha (unknown origin)
50017693	4	ChEMBL_2246841 (CHEMBL5161051)	Inhibition of wild-type EGFR (14 to 721 residues) (unknown origin) by western blot analysis
50017693	5	ChEMBL_2246844 (CHEMBL5161054)	Inhibition of recombinant human EGFR L858R/T790M double mutant using GGMEDIYFEFMGG as substrate in presence of ATP by radiometric assay
50017693	6	ChEMBL_2246849 (CHEMBL5161059)	Inhibition of SRC (unknown origin)
50017693	7	ChEMBL_2246850 (CHEMBL5161060)	Inhibition of HER2 (unknown origin)
50017693	8	ChEMBL_2246851 (CHEMBL5161061)	Inhibition of HER4 (unknown origin)
50017693	9	ChEMBL_2246852 (CHEMBL5161062)	Inhibition of VEGFR2 (unknown origin)
50017693	10	ChEMBL_2246853 (CHEMBL5161063)	Inhibition of EPH-A2 (unknown origin)
50017693	11	ChEMBL_2246854 (CHEMBL5161064)	Inhibition of IGF1R (unknown origin)
50017693	12	ChEMBL_2246855 (CHEMBL5161065)	Inhibition of ABL (unknown origin)
50017693	13	ChEMBL_2246856 (CHEMBL5161066)	Inhibition of FGFR1 (unknown origin)
50017693	14	ChEMBL_2246857 (CHEMBL5161067)	Inhibition of Flt-1 (unknown origin)
50017693	15	ChEMBL_2246858 (CHEMBL5161068)	Inhibition of RET (unknown origin)
50017694	1	ChEMBL_2246935 (CHEMBL5161145)	Inhibition of bacterially expressed GST-Xa-tagged human AAK1 using 5-FAM-labelled Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incubated for 3 hrs in presence of ATP by electrophoretic analysis
50017694	2	ChEMBL_2246936 (CHEMBL5161146)	Displacement of 3H-LP-927443 from AAK1 in C57BL6 mouse brain homogenate assessed as inhibition constant incubated for 1 hr by liquid scintillation counter analysis
50017694	3	ChEMBL_2246937 (CHEMBL5161147)	Inhibition of full length human AAK1 expressed in HEK293F cells assessed as suppression of AP2 phosphorylation measured after 3 hrs by Western blot analysis based cellular assay
50017694	4	ChEMBL_2246941 (CHEMBL5161151)	Inhibition of CYP3A4 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	5	ChEMBL_2246994 (CHEMBL5161204)	Inhibition of CYP1A2 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	6	ChEMBL_2246995 (CHEMBL5161205)	Inhibition of CYP2C19 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	7	ChEMBL_2246996 (CHEMBL5161206)	Inhibition of CYP2C9 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	8	ChEMBL_2246997 (CHEMBL5161207)	Inhibition of CYP2D6 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	9	ChEMBL_2246998 (CHEMBL5161208)	Inhibition of CYP34A (unknown origin) using BFC as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	10	ChEMBL_2246999 (CHEMBL5161209)	Inhibition of CYP2B6 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017694	11	ChEMBL_2247000 (CHEMBL5161210)	Time dependent inhibition of CYP34A (unknown origin) using BFC as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50017694	12	ChEMBL_2247001 (CHEMBL5161211)	Time dependent inhibition of CYP34A (unknown origin) using BFC as substrate incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50017694	13	ChEMBL_2247002 (CHEMBL5161212)	Time dependent inhibition of CYP34A (unknown origin) using MDZ as substrate incubated for up to 30 mins in presence of NADPH by LC-MS/MS analysis
50017694	14	ChEMBL_2247003 (CHEMBL5161213)	Time dependent inhibition of CYP34A (unknown origin) using TST as substrate incubated for up to 30 mins in presence of NADPH by LC-MS/MS analysis
50017694	15	ChEMBL_2247004 (CHEMBL5161214)	Inhibition of human ERG by patch clamp assay
50017694	16	ChEMBL_2247007 (CHEMBL5161217)	Inhibition of NET (unknown origin)
50017694	17	ChEMBL_2247008 (CHEMBL5161218)	Inhibition of nicotinic acetylcholine receptor alpha 1 (unknown origin)
50017694	18	ChEMBL_2247009 (CHEMBL5161219)	Inhibition of nicotinic acetylcholine receptor alpha 7 (unknown origin)
50017694	19	ChEMBL_2247010 (CHEMBL5161220)	Inhibition of 5HT2B receptor (unknown origin)
50017694	20	ChEMBL_2247012 (CHEMBL5161222)	Inhibition of OATP1B1 (unknown origin)
50017694	21	ChEMBL_2247013 (CHEMBL5161223)	Inhibition of OATP1B3 (unknown origin)
50017694	22	ChEMBL_2247014 (CHEMBL5161224)	Inhibition of NTCP (unknown origin)
50017694	23	ChEMBL_2247015 (CHEMBL5161225)	Inhibition of BSEP (unknown origin)
50017694	24	ChEMBL_2247016 (CHEMBL5161226)	Inhibition of MRP2 (unknown origin)
50017694	25	ChEMBL_2247017 (CHEMBL5161227)	Inhibition of OAT1 (unknown origin)
50017694	26	ChEMBL_2247018 (CHEMBL5161228)	Inhibition of OAT3 (unknown origin)
50017694	27	ChEMBL_2247031 (CHEMBL5161241)	Inhibition of BIKE (unknown origin)
50017694	28	ChEMBL_2247032 (CHEMBL5161242)	Inhibition of DAPK1 (unknown origin)
50017694	29	ChEMBL_2247033 (CHEMBL5161243)	Inhibition of GAK (unknown origin)
50017694	30	ChEMBL_2247034 (CHEMBL5161244)	Inhibition of MNK1 (unknown origin)
50017694	31	ChEMBL_2247035 (CHEMBL5161245)	Inhibition of MNK2 (unknown origin)
50017694	32	ChEMBL_2247036 (CHEMBL5161246)	Inhibition of MYLK2 (unknown origin)
50017694	33	ChEMBL_2247037 (CHEMBL5161247)	Inhibition of CRIK (unknown origin)
50017694	34	ChEMBL_2247038 (CHEMBL5161248)	Inhibition of DAPK3 (unknown origin)
50017694	35	ChEMBL_2247039 (CHEMBL5161249)	Inhibition of HIPK4 (unknown origin)
50017694	36	ChEMBL_2247040 (CHEMBL5161250)	Inhibition of JAK2 (unknown origin)
50017694	37	ChEMBL_2247041 (CHEMBL5161251)	Inhibition of MEK1/MAP2K1 (unknown origin)
50017694	38	ChEMBL_2247042 (CHEMBL5161252)	Inhibition of PKN2 (unknown origin)
50017694	39	ChEMBL_2247043 (CHEMBL5161253)	Inhibition of STLK3 (unknown origin)
50017694	40	ChEMBL_2247044 (CHEMBL5161254)	Inhibition of TLK1 (unknown origin)
50017694	41	ChEMBL_2247045 (CHEMBL5161255)	Inhibition of TLK2 (unknown origin)
50017694	42	ChEMBL_2247047 (CHEMBL5161257)	Inhibition of DMPK1 (unknown origin)
50017694	43	ChEMBL_2247050 (CHEMBL5161260)	Inhibition of ROCK2 (unknown origin)
50017694	44	ChEMBL_2247051 (CHEMBL5161261)	Inhibition of TYRO3 (unknown origin)
50017694	45	ChEMBL_2247052 (CHEMBL5161262)	Inhibition of TNIK (unknown origin)
50017694	46	ChEMBL_2247053 (CHEMBL5161263)	Inhibition of TAK/TAB (unknown origin)
50017694	47	ChEMBL_2247054 (CHEMBL5161264)	Inhibition of CLK1 (unknown origin)
50017694	48	ChEMBL_2247055 (CHEMBL5161265)	Inhibition of CLK4 (unknown origin)
50017694	49	ChEMBL_2247056 (CHEMBL5161266)	Inhibition of TAK (unknown origin)
50017694	50	ChEMBL_2247057 (CHEMBL5161267)	Inhibition of MEK1 (unknown origin)
50017694	51	ChEMBL_2247058 (CHEMBL5161268)	Inhibition of MAP2K1 (unknown origin)
50017694	52	ChEMBL_2247059 (CHEMBL5161269)	Inhibition of AURC (unknown origin)
50017694	53	ChEMBL_2247060 (CHEMBL5161270)	Inhibition of PKCb2 (unknown origin)
50017699	1	ChEMBL_2247066 (CHEMBL5161276)	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced Ca2+ influx incubated for 30 mins by FLIPR method
50017699	2	ChEMBL_2247094 (CHEMBL5161304)	Antagonist activity against human TRPV3 expressed in HEK293 cells assessed as inhibition of 2-APb induced intracellular calcium accumulation incubated for 30 mins by FLIPR assay
50017699	3	ChEMBL_2247095 (CHEMBL5161305)	Antagonist activity against human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation incubated for 30 mins by FLIPR assay
50017699	4	ChEMBL_2247096 (CHEMBL5161306)	Antagonist activity against human TRPM8 expressed in HEK293 cells assessed as inhibition of methanol induced intracellular calcium accumulation incubated for 30 mins by FLIPR assay
50017699	5	ChEMBL_2247100 (CHEMBL5161310)	Antagonist activity against human TRPM8 expressed in HEK293 cells assessed as inhibition of methanol-gated currents by whole cell patch clamp electrophysiology
50017700	1	ChEMBL_2247103 (CHEMBL5161313)	Inhibition of N-terminal 6His-tagged FGFR4 (unknown orgin) (445 to 753 residues) expressed in Rosetta (NEB) cells using Tyr 04 peptide as substrate incubated for 1 hr in presence of 150 uM ATP by FRET based Z'-LYTE assay
50017700	2	ChEMBL_2247104 (CHEMBL5161314)	Inhibition of FGFR1 (unknown orgin) using Tyr 04 peptide as substrate incubated for 1 hr in presence of 25 uM ATP by FRET based Z'-LYTE assay
50017700	3	ChEMBL_2247105 (CHEMBL5161315)	Inhibition of FGFR2 (unknown orgin) using Tyr 04 peptide as substrate incubated for 1 hr in presence of 5 uM ATP by FRET based Z'-LYTE assay
50017700	4	ChEMBL_2247106 (CHEMBL5161316)	Inhibition of FGFR3 (unknown orgin) using Tyr 04 peptide as substrate incubated for 1 hr in presence of 75 uM ATP by FRET based Z'-LYTE assay
50017700	5	ChEMBL_2247111 (CHEMBL5161321)	Inhibition of N-terminal 6His-tagged FGFR4 (unknown orgin) (445 to 753 residues) expressed in Rosetta (NEB) cells using poly(Glu, Tyr) 4:1 peptide as substrate incubated for 30 mins in presence of 50 uM ATP by ADP-Glo fluorescence assay
50017701	1	ChEMBL_2247135 (CHEMBL5161345)	Inhibition of recombinant human sEH using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured every 30 sec for 10 mins for by fluorescence based assay
50017701	2	ChEMBL_2247136 (CHEMBL5161346)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 240 sec by Ellman's method
50017701	3	ChEMBL_2247137 (CHEMBL5161347)	Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 240 sec by Ellman's method
50017701	4	ChEMBL_2247138 (CHEMBL5161348)	Inhibition of recombinant mouse sEH using CMNPC as substrate preincubated for 5 mins followed by substrate addition and measured every 30 sec for 10 mins for by fluorescence based assay
50017701	5	ChEMBL_2247139 (CHEMBL5161349)	Inhibition of recombinant mouse AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 240 sec by Ellman's method
50017702	1	ChEMBL_2247166 (CHEMBL5161376)	Inhibition of Ca2+/ CAM stimulated human AC1 activity expressed in AC3 and AC6-knockout HEK293 cells assessed as A23187 stimulated cAMP accumulation incubated for 30 mins followed by A2318 stimulation in presence of IBMX for 1 hr by HTRF assay
50017702	2	ChEMBL_2247167 (CHEMBL5161377)	Inhibition of Ca2+/ CAM stimulated human AC8 activity expressed in AC3 and AC6-knockout HEK293 cells assessed as A23187 stimulated cAMP accumulation incubated for 30 mins followed by A2318 stimulation in presence of IBMX for 1 hr by HTRF assay
50017702	3	ChEMBL_2247170 (CHEMBL5161380)	Binding affinity to 5-HT2B receptor (unknown origin) assessed as displacement of radioligand at 10 uM by radioligand binding assay
50017702	4	ChEMBL_2247175 (CHEMBL5161385)	Antagonist activity at 5-HT2B receptor (unknown origin) transfected in HEK293 cells assessed as beta-arrestin translocation by Tango assay
50017703	1	ChEMBL_2247236 (CHEMBL5161446)	Binding affinity to human his-tagged KRAS G12D mutant assessed as dissociation constant by isothermal titration calorimetry
50017705	1	ChEMBL_2247266 (CHEMBL5161476)	Inhibition of HIV-1 protease using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-lle-Val-Gln-Lys (DABCYL)-Arg as substrate preincubated for 20 to 30 mins followed by substrate addition and measured by FRET assay
50017707	1	ChEMBL_2247321 (CHEMBL5161531)	Inhibition of coagulation factor Xa (unknown origin) using chromogenic substrate incubated for 7 min in presence of antithrombin by absorbance based assay
50017707	2	ChEMBL_2247322 (CHEMBL5161532)	Inhibition of heparin binding to factor 10a using chromogenic substrate incubated for 7 min by absorbance based assay
50017709	1	ChEMBL_2247341 (CHEMBL5161551)	Binding affinity to SARS-CoV-2 spike protein assessed as Kd by SPR analysis
50017713	1	ChEMBL_2247346 (CHEMBL5161556)	Inhibition of AXL (unknown origin) measured by FRET assay
50017715	1	ChEMBL_2247504 (CHEMBL5161714)	Inhibition of 20S proteasome subunit beta-5i (unknown origin) using Ac-ANW-AMC as substrate and measured after 30 mins
50017715	2	ChEMBL_2247505 (CHEMBL5161715)	Inhibition of 20S proteasome subunit beta-5c (unknown origin) using Ac-WLA-AMC as substrate and measured after 30 mins
50017715	3	ChEMBL_2247515 (CHEMBL5161725)	Inhibition of 20S proteasome subunit beta-1i (unknown origin) using Ac-PAL-AMC as substrate and measured after 30 mins
50017715	4	ChEMBL_2247516 (CHEMBL5161726)	Inhibition of 20S proteasome subunit beta-1c (unknown origin) using Z-LLE-AMC as substrate and measured after 30 mins
50017715	5	ChEMBL_2247517 (CHEMBL5161727)	Inhibition of 20S proteasome subunit beta-2i (unknown origin) using Ac-KQL-AMC as substrate and measured after 30 mins
50017715	6	ChEMBL_2247518 (CHEMBL5161728)	Inhibition of 20S proteasome subunit beta-2c (unknown origin) using Ac-KQL-AMC as substrate and measured after 30 mins
50017716	1	ChEMBL_2247520 (CHEMBL5161730)	Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) assessed as residual activity
50017716	2	ChEMBL_2247521 (CHEMBL5161731)	Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) in presence of DTT by PAINS assay
50017716	3	ChEMBL_2247522 (CHEMBL5161732)	Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) in presence of BSA by PAINS assay
50017717	1	ChEMBL_2247525 (CHEMBL5161735)	Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins in presence of ATP
50017717	2	ChEMBL_2247527 (CHEMBL5161737)	Inhibition of MT2A in MTAP-null human HCT-116 cells after 72 hrs by LC-MS/MS analysis
50017720	1	ChEMBL_2247667 (CHEMBL5161877)	Binding affinity to human Hsp90 expressed in Escherichia coli by SPR assay
50017722	1	ChEMBL_2247715 (CHEMBL5161925)	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 1 to 30 mins followed by substrate addition by Ellman's method
50017722	2	ChEMBL_2247716 (CHEMBL5161926)	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 1 to 30 mins followed by substrate addition by Ellman's method
50017722	3	ChEMBL_2247718 (CHEMBL5161928)	Inhibition of mouse recombinant AChE assessed as reduction in cholinesterase activity using acetylthiocholine iodide as substrate preincubated for 1 to 30 mins followed by substrate addition by Ellman's method
50017722	4	ChEMBL_2247720 (CHEMBL5161930)	Binding affinity to human recombinant BChE in enzyme-inhibitor complex
50017722	5	ChEMBL_2247724 (CHEMBL5161934)	Binding affinity to human recombinant BChE in enzyme-substrate-inhibitor complex
50017723	1	ChEMBL_2247729 (CHEMBL5161939)	Inhibition of human DOT1L by hotspot PMT activity assay
50017724	1	ChEMBL_2247918 (CHEMBL5162128)	Inhibition of human RET kinase using IGF1Rtide as substrate incubated for 40 mins and measured by ADP-Glo assay
50017724	2	ChEMBL_2247919 (CHEMBL5162129)	Inhibition of full-length RET kinase expressed in human HEK293 cells and measured by NanoBRET assay
50017727	1	ChEMBL_2248020 (CHEMBL5162230)	Binding affinity to human CXCR2 expressed in human U87 cells assessed as inhibition of CXCL8 AF647-binding incubated for 15 mins followed by addition of CXCL8 AF647 measured after 30 mins by flow cytometry analysis
50017727	2	ChEMBL_2248021 (CHEMBL5162231)	Binding affinity to human CXCR2 expressed in human U87 cells assessed as inhibition of CXCL8 AF647-induced calcium response incubated for 10 mins followed by addition of CXCL8 AF647 measured by FLIPR Tetra system method
50017730	1	ChEMBL_2248028 (CHEMBL5162238)	Binding affinity to recombinant human His-tagged STING by measuring fluorescent signals in the presence of d2 labelled STING wild type ligand by HTRF based microplate reader analysis
50017730	2	ChEMBL_2248029 (CHEMBL5162239)	Agonist activity at STING in human wild-type THP1-Dual cells co-expressing ISRE reporter assessed as IRF-mediated immune response incubated for 24 hrs by QUANTI Luc based microplate reader method
50017730	3	ChEMBL_2248034 (CHEMBL5162244)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as cocktail probe substrate preincubated for 5 mins followed by NADPH addition and measured after 30 mins by HPLC-MS/MS analysis
50017730	4	ChEMBL_2248035 (CHEMBL5162245)	Inhibition of CYP2C9 in human liver microsomes tolbutamide as cocktail probe substrate preincubated for 5 mins followed by NADPH addition and measured after 30 mins by HPLC-MS/MS analysis
50017730	5	ChEMBL_2248036 (CHEMBL5162246)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as cocktail probe substrate preincubated for 5 mins followed by NADPH addition and measured after 30 mins by HPLC-MS/MS analysis
50017730	6	ChEMBL_2248037 (CHEMBL5162247)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as cocktail probe substrate preincubated for 5 mins followed by NADPH addition and meaured after 30 mins by HPLC-MS/MS analysis
50017730	7	ChEMBL_2248038 (CHEMBL5162248)	Inhibition of CYP3A4 in human liver microsomes using sorafenib as cocktail probe substrate preincubated for 5 mins followed by NADPH addition and measured after 30 mins by HPLC-MS/MS analysis
50017730	8	ChEMBL_2248039 (CHEMBL5162249)	Inhibition of hERG by patch clamp assay
50017730	9	ChEMBL_2248044 (CHEMBL5162254)	Activation of STING mediated immune response in human THP-1 cells assessed as induction of IFNbeta secretion measured after 24 hrs by ELISA
50017732	1	ChEMBL_2248092 (CHEMBL5162302)	Inhibition of wild type human GST-tagged HER2 (676 to end residues) expressed in baculovirus infected Sf9 cells incubated for 30 mins in presence of ATP by HTRF analysis
50017732	2	ChEMBL_2248093 (CHEMBL5162303)	Inhibition of wild type human N-terminal GST tagged EGFR (669 to 1210 residues) expressed in Sf21 insect cells incubated for 30 mins in presence of ATP by HTRF analysis
50017732	3	ChEMBL_2248138 (CHEMBL5162348)	Inhibition of HER2 D769H mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatography
50017732	4	ChEMBL_2248139 (CHEMBL5162349)	Inhibition of HER2 D769Y mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatography
50017732	5	ChEMBL_2248140 (CHEMBL5162350)	Inhibition of HER2 V777L mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatography
50017732	6	ChEMBL_2248141 (CHEMBL5162351)	Inhibition of HER2 R896C mutant (unknown origin) incubated for 120 mins in presence of 33P-ATP by P81 ion exchange cellulose chromatography
50017732	7	ChEMBL_2248159 (CHEMBL5162369)	Inhibition of HER2 (unknown origin)
50017732	8	ChEMBL_2248160 (CHEMBL5162370)	Inhibition of EGFR (unknown origin)
50017733	1	ChEMBL_2248170 (CHEMBL5162380)	Inhibition of ATM (unknown origin) by FRET assay
50017733	2	ChEMBL_2248172 (CHEMBL5162382)	Inhibition of ATM in human A549 cells assessed as reduction in etoposide-stimulated KAP1 phosphorylation by In-Cell-Western assay
50017735	1	ChEMBL_2248186 (CHEMBL5162396)	Agonist activity at yeast Gal4-fused human PPARalpha LBD transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase activity incubated for 20 hrs by luminometry
50017735	2	ChEMBL_2248188 (CHEMBL5162398)	Agonist activity at yeast Gal4-fused human PPARgamma transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase activity incubated for 20 hrs by luminometry
50017735	3	ChEMBL_2248190 (CHEMBL5162400)	Agonist activity at yeast Gal4-fused human PPARdelta transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase activity incubated for 20 hrs by luminometry
50017738	1	ChEMBL_2248221 (CHEMBL5162431)	Displacement of radiolabeled [3H]-2',3'-cGAMP from wild type human STING incubated for 2 hrs by scintillation counting method
50017738	2	ChEMBL_2248226 (CHEMBL5162436)	Binding affinity to wild type human STING assessed as dissociation constant by Surface plasmon resonance assay
50017738	3	ChEMBL_2248230 (CHEMBL5162440)	Binding affinity to wild type mouse STING assessed as dissociation constant by Surface plasmon resonance assay
50017739	1	ChEMBL_2248261 (CHEMBL5162471)	Agonist activity at NPRC in rat small mesenteric arteries assessed as vasorelaxation preincubated with M372049 for 15 mins followed by compound treatment by Organ bath assay
50017739	2	ChEMBL_2248264 (CHEMBL5162474)	Displacement of Flu-P19 probe from human NPR-C (27 to 541 residues) by fluorescence polarization analysis
50017739	3	ChEMBL_2248266 (CHEMBL5162476)	Agonist activity at NPRC in rat small mesenteric arteries assessed as vasorelaxation by Organ bath assay
50017739	4	ChEMBL_2248267 (CHEMBL5162477)	Agonist activity at NPRC in rat aorta assessed as vasorelaxation by Organ bath assay
50017739	5	ChEMBL_2248268 (CHEMBL5162478)	Agonist activity at NPRC in wild type mouse mesenteric arteries assessed as vasorelaxation by Organ bath assay
50017739	6	ChEMBL_2248269 (CHEMBL5162479)	Agonist activity at NPRC in knock out mouse mesenteric arteries assessed as vasorelaxation by Organ bath assay
50017739	7	ChEMBL_2248272 (CHEMBL5162482)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC/MS/MS analysis
50017739	8	ChEMBL_2248275 (CHEMBL5162485)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 20 mins by LC/MS/MS analysis
50017739	9	ChEMBL_2248276 (CHEMBL5162486)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC/MS/MS analysis
50017739	10	ChEMBL_2248277 (CHEMBL5162487)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as a substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC/MS/MS analysis
50017739	11	ChEMBL_2248278 (CHEMBL5162488)	Inhibition of CYP3A4 in human liver microsomes using midazolam as a substrate preincubated for 10 mins followed by NADPH addition and measured after 20 mins by LC/MS/MS analysis
50017739	12	ChEMBL_2248279 (CHEMBL5162489)	Inhibition of CYP3A4 in human liver microsomes using testosterone as a substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC/MS/MS analysis
50017739	13	ChEMBL_2248299 (CHEMBL5162509)	Binding affinity to CM5 sensor chip immobilized human NPR-C (27 to 541 residues) assessed as dissociation constant by surface plasmon resonance analysis
50017740	1	ChEMBL_2248312 (CHEMBL5162522)	Inhibition of C-terminal His6-tagged BRD4 BD1 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay
50017740	2	ChEMBL_2248314 (CHEMBL5162524)	Inhibition of C-terminal His6-tagged BRD4 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay
50017740	3	ChEMBL_2248315 (CHEMBL5162525)	Inhibition of C-terminal His6-tagged BRD3 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay
50017740	4	ChEMBL_2248316 (CHEMBL5162526)	Inhibition of C-terminal His6-tagged BRD2 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay
50017740	5	ChEMBL_2248351 (CHEMBL5162561)	Binding affinity to His6-fused BRD4 BD1 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	6	ChEMBL_2248352 (CHEMBL5162562)	Binding affinity to His6-fused BRD4 BD2 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	7	ChEMBL_2248353 (CHEMBL5162563)	Binding affinity to His6-fused human BRD3 BD1 assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	8	ChEMBL_2248354 (CHEMBL5162564)	Binding affinity to His6-fused BRD3 BD2 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	9	ChEMBL_2248355 (CHEMBL5162565)	Binding affinity to His6-fused BRD2 BD1 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	10	ChEMBL_2248356 (CHEMBL5162566)	Binding affinity to His6-fused BRD2 BD2 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	11	ChEMBL_2248357 (CHEMBL5162567)	Binding affinity to His6-fused BRDT BD1 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017740	12	ChEMBL_2248358 (CHEMBL5162568)	Binding affinity to His6-fused BRDT BD2 (unknown origin) assessed as dissociation constant in PBS incubated for 1 hrs by biolayer interferometry analysis
50017741	1	ChEMBL_2248530 (CHEMBL5162740)	Inhibition of human recombinant COX-1 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins
50017741	2	ChEMBL_2248531 (CHEMBL5162741)	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins
50017741	3	ChEMBL_2248532 (CHEMBL5162742)	Inhibition of COX-1 in human whole blood assessed as reduction in thromboxane B2 production by immunoassay
50017741	4	ChEMBL_2248533 (CHEMBL5162743)	Inhibition of COX-2 in LPS-stimulated human whole blood assessed as reduction in PGE2 production by immunoassay
50017741	5	ChEMBL_2248534 (CHEMBL5162744)	Inhibition of human recombinant COX-1 using [1-14C] arachidonic acid as substrate preincubated for 15 mins followed by substrate addition
50017741	6	ChEMBL_2248535 (CHEMBL5162745)	Inhibition of human recombinant COX-2 using [1-14C] arachidonic acid as substrate preincubated for 15 mins followed by substrate addition
50017743	1	ChEMBL_2248546 (CHEMBL5162756)	Inhibition of pig brain tubulin polymerization by spectrophotometeric analysis
50017743	2	ChEMBL_2248659 (CHEMBL5162869)	Inhibition of human ERG expressed in CHO cells with holding potential of -80 mV by whole cell patch clamp assay
50017744	1	ChEMBL_2248713 (CHEMBL5162923)	Inhibition of wild type FLT3 (unknown origin) by ADP-glo kinase assay
50017744	2	ChEMBL_2248714 (CHEMBL5162924)	Inhibition of FLT3 ITD mutant (unknown orgin) by ADP-glo kinase assay
50017745	1	ChEMBL_2248731 (CHEMBL5162941)	Inhibition of AChE in mouse cerebral cortex using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 180 secs by Ellman's spectrophotometric method
50017745	2	ChEMBL_2248733 (CHEMBL5162943)	Mixed-type inhibition of AChE in mouse cerebral cortex using acetylthiocholine iodide as substrate by double reciprocal Lineweaver-Burk plot analysis
50017745	3	ChEMBL_2248746 (CHEMBL5162956)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50017745	4	ChEMBL_2248747 (CHEMBL5162957)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50017746	1	ChEMBL_2248960 (CHEMBL5163170)	Positive allosteric modulator activity at GLP-1R in rat INS1 beta-cells assessed potentiation of GLP-1(7-36)NH2 induced insulin secretion incubated for 30 mins in presence of high glucose condition by ELISA
50017746	2	ChEMBL_2248961 (CHEMBL5163171)	Positive allosteric modulator activity at GLP-1R in rat INS1 beta-cells assessed potentiation of GLP-1(7-36)NH2 induced insulin secretion incubated for 30 mins in presence of 0.2 nM of GLP-1 by ELISA
50017746	3	ChEMBL_2248962 (CHEMBL5163172)	Positive allosteric modulator activity at GLP-1R in rat INS1 beta-cells assessed potentiation of GLP-1(7-36)NH2 induced insulin secretion at 0.1 nM incubated for 30 mins in presence of exendin(9-39)NH2 by ELISA
50017746	4	ChEMBL_2248986 (CHEMBL5163196)	Positive allosteric modulator activity at human GLP-1R expressed in HEK293 cells assessed as potentiation of GLP-1(7-36)NH2 induced cAMP accumulation preincubated for 15 mins followed by GLP-1(7-36)NH2 addition and measured after 15 mins
50017746	5	ChEMBL_2249001 (CHEMBL5163211)	Positive allosteric modulator activity at human GLP-1R expressed in HEK293 cells assessed as activation of calcium flux
50017747	1	ChEMBL_2249004 (CHEMBL5163214)	Inhibition of alpha2c adrenergic receptor (unknown origin)
50017747	2	ChEMBL_2249035 (CHEMBL5163245)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017747	3	ChEMBL_2249036 (CHEMBL5163246)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017747	4	ChEMBL_2249037 (CHEMBL5163247)	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50017747	5	ChEMBL_2249038 (CHEMBL5163248)	Inhibition of human Phosphodiesterase 4D
50017747	6	ChEMBL_2249039 (CHEMBL5163249)	Antagonist activity against alpha2a adrenergic receptor (unknown origin)
50017747	7	ChEMBL_2249114 (CHEMBL5163324)	Agonist activity at adrenergic receptor alpha2a (unknown origin)
50017747	8	ChEMBL_2249115 (CHEMBL5163325)	Agonist activity at muscarinic M2 receptor (unknown origin)
50017747	9	ChEMBL_2249116 (CHEMBL5163326)	Inhibition of vesicular monoamine transporter 2 (unknown origin)
50017747	10	ChEMBL_2249117 (CHEMBL5163327)	Inhibition of hERG potassium channel in HEK293 cells by manual patch clamp assay
50017747	11	ChEMBL_2249118 (CHEMBL5163328)	Inhibition of hERG potassium channel in HEK293 cells by Q-patch clamp assay
50017747	12	ChEMBL_2249122 (CHEMBL5163332)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins by LC-MS/MS analysis
50017747	13	ChEMBL_2249123 (CHEMBL5163333)	Inhibition of CYP2D6 human liver microsomes using bufuralol as substrate incubated for 15 mins by LC-MS/MS analysis
50017747	14	ChEMBL_2249124 (CHEMBL5163334)	Inhibition of CYP2C9 human liver microsomes using diclofenac as substrate incubated for 15 mins by LC-MS/MS analysis
50017747	15	ChEMBL_2249125 (CHEMBL5163335)	Inhibition of CYP3A5 in human liver microsomes by LC-MS/MS analysis
50017750	1	ChEMBL_2249137 (CHEMBL5163347)	Inhibition of N-terminal 10-His-tagged SARS-CoV-2 3CL protease (1 to 306 residues) expressed in Escherichia coli BL21(DE3) using Dabcyl-KTSAVLQSGFRKME-[Edans]-NH2 fluorogenic peptide as substrate incubated for 3 hrs by fluorescence assay
50017750	2	ChEMBL_2249160 (CHEMBL5163370)	Inhibition of human recombinant caspase 2 expressed in Escherichia coli using Z-VDVAD-AFC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by measuring amount of AFC formed by spectrofluorimetric method
50017750	3	ChEMBL_2249161 (CHEMBL5163371)	Inhibition of human pancreas chymotrypsin using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins incubated followed by addition of substrate measured after 60 mins by measuring amount of AMC formed by spectrofluorimetric method
50017750	4	ChEMBL_2249162 (CHEMBL5163372)	Inhibition of human liver cathepsin B using Boc-Leu-Arg-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by measuring amount of AMC formed by spectrofluorimetric method
50017750	5	ChEMBL_2249163 (CHEMBL5163373)	Inhibition of human liver cathepsin D using MOCAc-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followed by addition of substrate measured after 10 mins by measuring amount of MOCAc formed by spectrofluorimetric method
50017750	6	ChEMBL_2249164 (CHEMBL5163374)	Inhibition of human neutrophil cathepsin G using Suc-Ala-Ala-Pro-Phe-AMC as substrate preincubated for 15 mins followed by addition of substrate measured after 30 mins by measuring amount of AMC formed spectrofluorimetric method
50017750	7	ChEMBL_2249165 (CHEMBL5163375)	Inhibition of human liver cathepsin L using Z-Phe-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by measuring amount of AMC formed by spectrofluorometric method
50017750	8	ChEMBL_2249166 (CHEMBL5163376)	Inhibition of human plasma thrombin using Z-Gly-Pro-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by based spectrofluorimetric method
50017750	9	ChEMBL_2249167 (CHEMBL5163377)	Inhibition of HIV-1 protease
50017751	1	ChEMBL_2249197 (CHEMBL5163407)	Induction of ERalpha degradation in human MCF7 cells incubated for 24 hrs by Western blot analysis
50017751	2	ChEMBL_2249199 (CHEMBL5163409)	Antagonist activity at ERalpha expressed in HEK293/Gal4 cells incubated for 24 hrs in presence of estradiol by luciferase reporter gene assay
50017751	3	ChEMBL_2249200 (CHEMBL5163410)	Inhibition of human ERG potassium channel expressed in CHO cells by patch-clamp assay
50017751	4	ChEMBL_2249201 (CHEMBL5163411)	Antagonist activity at ERbeta expressed in HEK293/Gal4 cells incubated for 24 hrs in presence of di-arylpropionitrile by luciferase reporter gene assay
50017751	5	ChEMBL_2249242 (CHEMBL5163452)	Antagonist activity at ERalpha Y537S mutant degradation in human SK-BR-3 cells incubated for 24 hrs in presence of beta-estradiol by luciferase gene assay
50017751	6	ChEMBL_2249243 (CHEMBL5163453)	Antagonist activity at ERalpha D538G mutant degradation in human SK-BR-3 cells incubated for 24 hrs in presence of beta-estradiol by luciferase gene assay
50017752	1	ChEMBL_2249268 (CHEMBL5163478)	Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 mins
50017752	2	ChEMBL_2249269 (CHEMBL5163479)	Inhibition of recombinant human TDO assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate and measured after 15 mins
50017752	3	ChEMBL_2249270 (CHEMBL5163480)	Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate by absorbance based analysis
50017752	4	ChEMBL_2249271 (CHEMBL5163481)	Inhibition of TDO in human HEK293 cells assessed as reduction in kynurenine formation using L-tryptophan as substrate by absorbance based analysis
50017752	5	ChEMBL_2249272 (CHEMBL5163482)	Non-competitive inhibition of recombinant human IDO1 measured by surface plasmon resonance assay
50017752	6	ChEMBL_2249273 (CHEMBL5163483)	Competitive inhibition of recombinant human TDO measured by surface plasmon resonance assay
50017755	1	ChEMBL_2249285 (CHEMBL5163495)	Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cells assessed as cAMP accumulation incubated for 60 mins by microplate reader analysis
50017755	2	ChEMBL_2249286 (CHEMBL5163496)	Agonist activity at beta1 adrenoceptor (unknown origin) expressed in HEK293 cells assessed as cAMP accumulation incubated for 60 mins by microplate reader analysis
50017757	1	ChEMBL_2249359 (CHEMBL5163569)	Displacement of conivaptan-red from SNAP-tagged V2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition constant measured after 2 hrs by HTRF assay
50017757	2	ChEMBL_2249363 (CHEMBL5163573)	Antagonist activity at human V2 receptor expressed in CHO cells assessed as reduction in vasopressin induced cAMP production preincubated for 30 mins followed by vasopressin stimulation and measured after 30 mins
50017763	1	ChEMBL_2249387 (CHEMBL5163597)	Inhibition of recombinant salmonella enterica threonyl-tRNA synthetase assessed as reduction in enzyme activity incubated for 20 min by Kinase Glo luminescence assay
50017763	2	ChEMBL_2249388 (CHEMBL5163598)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant by isothermal titration calorimetry assay
50017763	3	ChEMBL_2249389 (CHEMBL5163599)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant in presence of ATP by isothermal titration calorimetry assay
50017763	4	ChEMBL_2249390 (CHEMBL5163600)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant in presence of L-threonine by isothermal titration calorimetry assay
50017763	5	ChEMBL_2249391 (CHEMBL5163601)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant in presence of glycine by isothermal titration calorimetry assay
50017763	6	ChEMBL_2249392 (CHEMBL5163602)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant in presence of tRNA Threonine by isothermal titration calorimetry assay
50017763	7	ChEMBL_2249399 (CHEMBL5163609)	Binding affinity to full length recombinant salmonella enterica threonyl-tRNA synthetase assessed as dissociation constant in presence of tRNA Leucine by isothermal titration calorimetry assay
50017765	1	ChEMBL_2249401 (CHEMBL5163611)	Displacement of [3H]-raclopride from human full length D2L receptor expressed in HEK293 cells by radioligand binding assay
50017765	2	ChEMBL_2249402 (CHEMBL5163612)	Displacement of [3H]-5-OH-DPAT from human full length 5-HT1AR expressed in HEK293 cells by radioligand binding assay
50017765	3	ChEMBL_2249403 (CHEMBL5163613)	Displacement of [3H]-ketanserin from 5-HT2AR (unknown origin) expressed in CHO-K1 cells by radioligand binding assay
50017765	4	ChEMBL_2249404 (CHEMBL5163614)	Displacement of [3H]-LSD from human full length 5HT6R expressed in HEK293 cells by radioligand binding assay
50017765	5	ChEMBL_2249405 (CHEMBL5163615)	Displacement of [3H]-5-CT from human full length 5HT7BR expressed in HEK293 cells by radioligand binding assay
50017765	6	ChEMBL_2249406 (CHEMBL5163616)	Displacement of [3H]-5-OH-DPAT from human 5-HT1AR in human brain tissue by radioligand binding assay
50017765	7	ChEMBL_2249412 (CHEMBL5163622)	Binding affinity to D2L receptor (unknown origin) assessed as inhibition constant
50017765	8	ChEMBL_2249413 (CHEMBL5163623)	Binding affinity to 5-HT1AR (unknown origin) assessed as inhibition constant
50017765	9	ChEMBL_2249414 (CHEMBL5163624)	Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant
50017765	10	ChEMBL_2249415 (CHEMBL5163625)	Binding affinity to 5-HT6R (unknown origin) assessed as inhibition constant
50017765	11	ChEMBL_2249416 (CHEMBL5163626)	Binding affinity to 5-HT7BR (unknown origin) assessed as inhibition constant
50017765	12	ChEMBL_2249417 (CHEMBL5163627)	Displacement of 8-OH-DPAT from human 5-HT1AR in human brain frontal cortex incubated for 30 mins by liquid scintillation counter analysis
50017766	1	ChEMBL_2249483 (CHEMBL5163693)	Inhibition of human cytomegalovirus pHAR-UL89C expressed in Escherichia coli Rosette using Digoxigenin-labeled 5'-taatcgccttgcagcacatccccattcgccagctggcgtaatagcgaagaggcccgca ssDNA as substrate preincubated for 15 mins followed by substrate addition for 30 mins by plate reader assay
50017766	2	ChEMBL_2249494 (CHEMBL5163704)	Inhibition of human cytomegalovirus pUL89-C using Digoxigenin-labeled 5'-taatcgccttgcagcacatccccctttcgccagctggcgtaatagcgaagaggcccgcac ssDNA as substrate preincubated for 15 mins followed by substrate addition for 1 hr by absorbance based analysis
50017766	3	ChEMBL_2249495 (CHEMBL5163705)	Inhibition of recombinant HIV-1 integrase strand transfer activity by enzymatic assay
50017766	4	ChEMBL_2249496 (CHEMBL5163706)	Inhibition of recombinant p66/p51 HIV-1 RNase H using 6-FAM-labeld DNA substrate preincubated for 2 mins by fluorescence based assay
50017766	5	ChEMBL_2249497 (CHEMBL5163707)	Inhibition of deltaC55 truncated Hepatitis C virus NS5B expressed in Escherichia coli using poly(rA)/oligo(rU) as template/primer incubated for 20 mins in presence of 3H-UTP by radioactivity based assay
50017766	6	ChEMBL_2249500 (CHEMBL5163710)	Inhibition of human cytomegalovirus pUL89-C using dsDNA substrate preincubated for 15 mins followed by substrate addition for 1 hr by ELISA
50017766	7	ChEMBL_2249501 (CHEMBL5163711)	Inhibition of human cytomegalovirus pUL89-C
50017766	8	ChEMBL_2249502 (CHEMBL5163712)	Inhibition of HIV-1 integrase strand transfer activity by enzymatic assay
50017768	1	ChEMBL_2249504 (CHEMBL5163714)	Inhibition of TRIM24 (unknown origin) measured alphascreen assay
50017768	2	ChEMBL_2249505 (CHEMBL5163715)	Inhibition of BRPF1 (unknown origin) measured alphascreen assay
50017769	1	ChEMBL_2249564 (CHEMBL5163774)	Displacement of fluorescent-labeled BID-BH3 peptide from human BCL-W expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization-based competitive binding assay
50017769	2	ChEMBL_2249565 (CHEMBL5163775)	Displacement of fluorescent-labeled BID-BH3 peptide from human BCL-xL expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization-based competitive binding assay
50017769	3	ChEMBL_2249566 (CHEMBL5163776)	Displacement of fluorescent-labeled BID-BH3 peptide from His-tagged human BFL-1 (1 to 151 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization-based competitive binding assay
50017769	4	ChEMBL_2249567 (CHEMBL5163777)	Displacement of fluorescent-labeled BID-BH3 peptide from His-tagged human MCL-1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization-based competitive binding assay
50017769	5	ChEMBL_2249568 (CHEMBL5163778)	Inhibition of His-tagged human BFL-1(1 to 151 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization-based binding assay
50017769	6	ChEMBL_2249569 (CHEMBL5163779)	Displacement of fluorescent-labeled BID-BH3 peptide from human BCL-2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization-based competitive binding assay
50017769	7	ChEMBL_2249570 (CHEMBL5163780)	Displacement of fluorescein tagged BID BH3 peptide from His-tagged recombinant BFL-1 (1 to 151 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 24 hrs by fluorescence polarization-based competitive binding assay
50017769	8	ChEMBL_2249572 (CHEMBL5163782)	Binding affinity to His-tagged recombinant BFL-1 (1 to 151 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by surface plasmon resonance analysis
50017769	9	ChEMBL_2249576 (CHEMBL5163786)	Displacement of fluorescein tagged BID BH3 peptide from human MCL-1 (172 to 327 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	10	ChEMBL_2249577 (CHEMBL5163787)	Displacement of fluorescein tagged BAK peptide from N-terminal His tagged human BCL-xL (1 to 209 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	11	ChEMBL_2249578 (CHEMBL5163788)	Displacement of fluorescein tagged BIM peptide from N-terminal His tagged human BCL-2 (1 to 170 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	12	ChEMBL_2249579 (CHEMBL5163789)	Displacement of FAM- labeled YAP1 peptide from TEAD2 (217 to 447 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	13	ChEMBL_2249580 (CHEMBL5163790)	Displacement of FAM- labeled YAP1 peptide from TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	14	ChEMBL_2249581 (CHEMBL5163791)	Displacement of FAM- labeled PDI peptide from MDM2 (1 to 118 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization-based competitive binding assay
50017769	15	ChEMBL_2249583 (CHEMBL5163793)	Binding affinity to recombinant human BRD2 BD1 (72-205 residues) assessed as inhibition constant by fluorescence polarization assay
50017769	16	ChEMBL_2249584 (CHEMBL5163794)	Binding affinity to recombinant human BRD2 BD2 (349-460 residues) assessed as inhibition constant by fluorescence polarization assay
50017769	17	ChEMBL_2249585 (CHEMBL5163795)	Binding affinity to recombinant human BRD3 BD1 (24-144 residues) assessed as inhibition constant by fluorescence polarization assay
50017769	18	ChEMBL_2249586 (CHEMBL5163796)	Binding affinity to recombinant human BRD3 BD2 (306-417 residues) assessed as inhibition constant by fluorescence polarization assay
50017769	19	ChEMBL_2249587 (CHEMBL5163797)	Inhibition of N-terminal biotinylated human BCL9 (350 to 375 residues)/C-terminal 6-His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) protein-protein interaction assessed as inhibition constant incubated for 1 hr by Alphascreen assay
50017769	20	ChEMBL_2249588 (CHEMBL5163798)	Inhibition of biotinylated tagged PD-1 (unknown origin)/His tagged PD-L1 (unknown origin) protein-protein interaction assessed as inhibition constant incubated for 90 mins by AlphaLISA assay
50017770	1	ChEMBL_2249630 (CHEMBL5163840)	Inhibition of full length Trypanosoma brucei rhodesiense rhodesain expressed in pichia pastoris using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by fluorometric enzyme assays
50017776	1	ChEMBL_2249636 (CHEMBL5163846)	Binding affinity to recombinant NAMPT (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50017776	2	ChEMBL_2249637 (CHEMBL5163847)	Binding affinity to recombinant NAMPT (unknown origin) by isothermal titration calorimetry
50017777	1	ChEMBL_2249764 (CHEMBL5163974)	Displacement of [3H]SCH5826 from human A2AAR incubated for 60 mins by scintillation counter analysis
50017777	2	ChEMBL_2249765 (CHEMBL5163975)	Inhibition of HDAC1 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assay
50017777	3	ChEMBL_2249795 (CHEMBL5164005)	Displacement of [3H]DPCPX from human A1AR incubated for 60 mins by scintillation counter analysis
50017777	4	ChEMBL_2249796 (CHEMBL5164006)	Displacement of [3H]DPCPX from human A2BAR incubated for 60 mins by scintillation counter analysis
50017777	5	ChEMBL_2249797 (CHEMBL5164007)	Displacement of [3H]HEMADO from human A3AR incubated for 60 mins by scintillation counter analysis
50017777	6	ChEMBL_2249798 (CHEMBL5164008)	Inhibition of HDAC2 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assay
50017777	7	ChEMBL_2249799 (CHEMBL5164009)	Inhibition of HDAC3 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assay
50017777	8	ChEMBL_2249800 (CHEMBL5164010)	Inhibition of HDAC6 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assay
50017777	9	ChEMBL_2249801 (CHEMBL5164011)	Inhibition of HDAC8 (unknown origin) using trypsin and LGK(Ac)-AMC as substrates incubated for 1 hr and measured by fluorescence assay
50017778	1	ChEMBL_2249806 (CHEMBL5164016)	Inhibition of BRD4-BD1 (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 3 hr by HTRF assay
50017778	2	ChEMBL_2249807 (CHEMBL5164017)	Inhibition of BRD4-BD2 (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 3 hr by HTRF
50017779	1	ChEMBL_2249838 (CHEMBL5164048)	Binding affinity to rat sigma 2 receptor/TMEM97 expressed in rat PC-12 cells assessed as inhibition constant
50017779	2	ChEMBL_2249839 (CHEMBL5164049)	Binding affinity to sigma 1 receptor expressed in guinea pig brain membrane assessed as inhibition constant
50017779	3	ChEMBL_2249840 (CHEMBL5164050)	Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in human HEK293T cells assessed as inhibition constant by radioligand competition binding assay
50017779	4	ChEMBL_2249841 (CHEMBL5164051)	Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor/TMEM97 transfected in human HEK293T cells assessed as inhibition constant in presence of (+)-pentazocine by radioligand competition binding assay
50017780	1	ChEMBL_2249845 (CHEMBL5164055)	Induction of degradation of hamster HMGCR (TM1-8)-GFP (1 to 346 residues) transfected in CHO-7 cells incubated for 16 hrs in sterol-depleted medium by fluorescence based microplate reader assay
50017780	2	ChEMBL_2249881 (CHEMBL5164091)	Induction of degradation of endogenous HMGCR in CHO-7 cells assessed as decrease in protein level incubated for 16 hrs in sterol-depleted medium by immunoblot analysis
50017784	1	ChEMBL_2249884 (CHEMBL5164094)	Displacement of [3H]-LSD from human 5-HT6R stably expressed in HEK293 cells by radioligand binding assay
50017784	2	ChEMBL_2249885 (CHEMBL5164095)	Inhibition of human recombinant MAO-B using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorometric analysis
50017784	3	ChEMBL_2249888 (CHEMBL5164098)	Inhibition of human recombinant MAO-A using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorometric analysis
50017784	4	ChEMBL_2249891 (CHEMBL5164101)	Reversible inhibition of human recombinant MAO-B using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured every 5 mins by fluorescence based assay
50017788	1	ChEMBL_2250050 (CHEMBL5164260)	Inhibition of NLRP3 inflammasome activation in LPS-primed mouse BMDM cells assessed as reduction in ATP induced IL-1beta release pretreated for 15 mins followed by ATP stimulation for 30 mins by ELISA
50017801	1	ChEMBL_2250123 (CHEMBL5164333)	Agonist activity at human MC1R transfected in HEK293 cells co-transfected with GScAMP22F assessed as increase in cAMP level by split luciferase cAMP sensor dynamic assay
50017801	2	ChEMBL_2250125 (CHEMBL5164335)	Agonist activity at human MC3R transfected in HEK293 cells co-transfected with GScAMP22F assessed as increase in cAMP level by split luciferase cAMP sensor dynamic assay
50017801	3	ChEMBL_2250126 (CHEMBL5164336)	Agonist activity at human MC5R transfected in HEK293 cells co-transfected with GScAMP22F assessed as increase in cAMP level by split luciferase cAMP sensor dynamic assay
50017801	4	ChEMBL_2250127 (CHEMBL5164337)	Agonist activity at human MC3R transfected in HEK293 cells assessed as cAMP accumulation by competitive binding assay
50017801	5	ChEMBL_2250128 (CHEMBL5164338)	Agonist activity at human MC4R transfected in HEK293 cells assessed as cAMP accumulation by competitive binding assay
50017801	6	ChEMBL_2250129 (CHEMBL5164339)	Agonist activity at human MC5R transfected in HEK293 cells assessed as cAMP accumulation by competitive binding assay
50017801	7	ChEMBL_2250130 (CHEMBL5164340)	Antagonist activity at human MC1R transfected in HEK293 cells co-transfected with GScAMP22F assessed as decrease in alpha-MSH induced cAMP level in presence of 10 nM alpha-MSH by split luciferase cAMP sensor dynamic assay
50017801	8	ChEMBL_2250131 (CHEMBL5164341)	Antagonist activity at human MC3R transfected in HEK293 cells co-transfected with GScAMP22F assessed as decrease in alpha-MSH induced cAMP level in presence of 30 nM alpha-MSH by split luciferase cAMP sensor dynamic assay
50017801	9	ChEMBL_2250136 (CHEMBL5164346)	Antagonist activity at human MC4R transfected in HEK293 cells co-transfected with GScAMP22F assessed as decrease in alpha-MSH induced cAMP level in presence of 70 nM alpha-MSH by split luciferase cAMP sensor dynamic assay
50017803	1	ChEMBL_2250263 (CHEMBL5164473)	Inhibition of wild type HIV1 protease expressed in Escherichia coli BL21 DE3 assessed as cleavage of fluorogenic substrate using EDANS-RESGIFLETSKR-DABCYL preincubated for 15 mins with compound followed by substrate addition and measured after 60 mins by microplate reader analysis
50017805	1	ChEMBL_2250270 (CHEMBL5164480)	Displacement of fluorescence labeled ligand from human PXR ligand binding domain by Lanthascreen TR-FRET assay
50017805	2	ChEMBL_2250271 (CHEMBL5164481)	Agonist activity at AhR (unknown origin) transfected in human AZ-AHR reporter cells derived from human HepG2 cells incubated for 4 hrs by luciferase reporter gene assay
50017805	3	ChEMBL_2250272 (CHEMBL5164482)	Agonist activity at human PXR transfected in human LS180 cells cotransfected with luciferase reporter plasmid p2A4-Luc assessed as transcriptional activity incubated for 24 hrs by luciferase reporter assay
50017805	4	ChEMBL_2250276 (CHEMBL5164486)	Displacement of [3H]TCDD from mouse AhR expressed in mouse Hepa1c1c7 cells cytosol incubated for 2 hrs by competitive radioligand binding assay
50017805	5	ChEMBL_2250305 (CHEMBL5164515)	Agonist activity at AhR in mouse Hepa2Dluc cells
50017807	1	ChEMBL_2250306 (CHEMBL5164516)	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by Fluo-4AM staining based fluorescence assay
50017807	2	ChEMBL_2250307 (CHEMBL5164517)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by by Fluo-4AM staining based fluorescence assay
50017807	3	ChEMBL_2250308 (CHEMBL5164518)	Antagonist activity at human muscarinic M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calcium mobilization assay
50017807	4	ChEMBL_2250309 (CHEMBL5164519)	Antagonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calcium mobilization assay
50017807	5	ChEMBL_2250310 (CHEMBL5164520)	Antagonist activity at human muscarinic M3 receptor expressed in CHO cells co-expressing Gqi5 assessed as intracellular calcium mobilization by calcium mobilization assay
50017807	6	ChEMBL_2250311 (CHEMBL5164521)	Displacement of [3H]-NMS from human muscarinic M5 receptor expressed in CHO cells by radioligand binding assay
50017807	7	ChEMBL_2250312 (CHEMBL5164522)	Displacement of [3H]-NMS from human muscarinic M1 receptor expressed in CHO cells by radioligand binding assay
50017807	8	ChEMBL_2250313 (CHEMBL5164523)	Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO cells by radioligand binding assay
50017807	9	ChEMBL_2250314 (CHEMBL5164524)	Displacement of [3H]-NMS from human muscarinic M3 receptor expressed in CHO cells by radioligand binding assay
50017807	10	ChEMBL_2250315 (CHEMBL5164525)	Displacement of [3H]-NMS from human muscarinic M4 receptor expressed in CHO cells by radioligand binding assay
50017807	11	ChEMBL_2250326 (CHEMBL5164536)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC-MS/MS analysis
50017807	12	ChEMBL_2250327 (CHEMBL5164537)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC-MS/MS analysis
50017807	13	ChEMBL_2250328 (CHEMBL5164538)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC-MS/MS analysis
50017807	14	ChEMBL_2250329 (CHEMBL5164539)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC-MS/MS analysis
50017807	15	ChEMBL_2250339 (CHEMBL5164549)	Displacement of [3H]-NMS from rat muscarinic M5 receptor stably expressed in CHO cells membrane by topCount scintillation counting method
50017807	16	ChEMBL_2250341 (CHEMBL5164551)	Antagonist activity at rat muscarinic M1 receptor
50017807	17	ChEMBL_2250342 (CHEMBL5164552)	Antagonist activity at rat muscarinic M5 receptor
50017813	1	ChEMBL_2250352 (CHEMBL5164562)	Inhibition of human recombinant full length GST-tagged MNK1 expressed in baculovirus expression system using S6 peptide as substrate in presence of [gamma-33P]-ATP incubated for 60 mins by radiometric scintillation counting method
50017813	2	ChEMBL_2250353 (CHEMBL5164563)	Inhibition of human recombinant full length GST-tagged MNK2 expressed in insect cells using S6 peptide as substrate in presence of [gamma-33P]-ATP incubated for 60 mins by by radiometric scintillation counting method
50017816	1	ChEMBL_2250429 (CHEMBL5164639)	Inhibition of MDM2 (unknown origin)
50017816	2	ChEMBL_2250431 (CHEMBL5164641)	Inhibition of MDM4 (unknown origin)
50017816	3	ChEMBL_2250432 (CHEMBL5164642)	Inhibition of human MDM2 by TR-FRET assay
50017816	4	ChEMBL_2250433 (CHEMBL5164643)	Inhibition of human MDM4 by TR-FRET assay
50017816	5	ChEMBL_2250438 (CHEMBL5164648)	Binding affinity to N-terminal TEV/GST-fused human MDM4 (22 to 110 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration microcalorimetry method
50017816	6	ChEMBL_2250439 (CHEMBL5164649)	Binding affinity to N-terminal TEV/GST-fused human MDM2 (22 to 110 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration microcalorimetry method
50017816	7	ChEMBL_2250443 (CHEMBL5164653)	Displacement of 5-FAM labeled PDI peptide from MDM2 (1 to 118 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 1.5 hrs by fluorescence polarization competition assay
50017821	1	ChEMBL_2250526 (CHEMBL5164736)	Binding affinity to Staphylococcus aureus FtsZ assessed as dissociation constant by isothermal titration calorimetry
50017822	1	ChEMBL_2250558 (CHEMBL5164768)	Inhibition of N-terminal hexahistidine tagged TRKA (485 to 795 residues) (unknown origin) expressed in Sf9 cells using Ser/Thr 06 peptide as substrate incubated for 1 hr in presence of 400 uM ATP by FRET based Z'-Lyte assay
50017822	2	ChEMBL_2250559 (CHEMBL5164769)	Inhibition of TRKC (unknown origin) using Ser/Thr 06 peptide as substrate incubated for 1 hr in presence of 50 uM ATP by FRET based Z'-Lyte assay
50017822	3	ChEMBL_2250560 (CHEMBL5164770)	Inhibition of TRKA G667C mutant (unknown origin) using Ser/Thr 06 peptide as substrate incubated for 1 hr in presence of 400 uM ATP by FRET based Z'-Lyte assay
50017822	4	ChEMBL_2250561 (CHEMBL5164771)	Inhibition of TRKA G595R mutant (unknown origin) by HTRF assay
50017822	5	ChEMBL_2250566 (CHEMBL5164776)	Inhibition of human wild type partial length DDR1(R565 to V876 residue) expressed in bacterial expression system by Kinomescan method
50017822	6	ChEMBL_2250567 (CHEMBL5164777)	Inhibition of human wild type partial length DDR2 (V555 to E855 residues) expressed in mammalian expression system by Kinomescan method
50017822	7	ChEMBL_2250568 (CHEMBL5164778)	Inhibition of human wild type partial length EphA7 (Y608 to S912 residues) expressed in bacterial expression system by Kinomescan method
50017822	8	ChEMBL_2250569 (CHEMBL5164779)	Inhibition of human wild type partial length Mer (R557 to L884 residues) expressed in bacterial expression system by Kinomescan method
50017822	9	ChEMBL_2250570 (CHEMBL5164780)	Inhibition human wild type partial length Tie2 (N804 to T1112 residues) expressed in bacterial expression system by Kinomescan method
50017822	10	ChEMBL_2250576 (CHEMBL5164786)	Inhibition of wild type CD74 fused TRKA (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of TRKA phosphorylation incubated for 6 hrs by Western blot analysis
50017822	11	ChEMBL_2250577 (CHEMBL5164787)	Inhibition of CD74 fused TRKA G667C mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of PLCgamma1 phosphorylation incubated for 6 hrs by Western blot analysis
50017822	12	ChEMBL_2250578 (CHEMBL5164788)	Inhibition of CD74 fused TRKA G595R mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ERK phosphorylation incubated for 6 hrs by Western blot analysis
50017824	1	ChEMBL_2250674 (CHEMBL5164884)	Binding affinity to human galectin-1 using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'.(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	2	ChEMBL_2250675 (CHEMBL5164885)	Binding affinity to human galectin-3 using 2-(fluorescein-5/6-yl-carbonylamino)-ethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside by fluorescence polarization analysis
50017824	3	ChEMBL_2250676 (CHEMBL5164886)	Binding affinity to human galectin-4N expressed in Escherichia coli BL21 using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	4	ChEMBL_2250677 (CHEMBL5164887)	Binding affinity to human galectin-4C using 2-(fluorescein-5/6-yl-carbonylamino)-ethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fucopyranosyl-(1-2)]-beta-D-galactopyranosyl-(1-4)-beta-D-glucopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	5	ChEMBL_2250678 (CHEMBL5164888)	Binding affinity to human galectin-8N using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'.(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	6	ChEMBL_2250679 (CHEMBL5164889)	Binding affinity to human galectin-8C expressed in Escherichia coli BL21(DE3) using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	7	ChEMBL_2250691 (CHEMBL5164901)	Binding affinity to human galectin-1 by fluorescence polarization analysis
50017824	8	ChEMBL_2250692 (CHEMBL5164902)	Binding affinity to human galectin-3 by fluorescence polarization assay
50017824	9	ChEMBL_2250693 (CHEMBL5164903)	Binding affinity to human galectin-8N by fluorescence polarization assay
50017824	10	ChEMBL_2250694 (CHEMBL5164904)	Binding affinity to human galectin-4N using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside as fluorescent probe by fluorescence polarization analysis
50017824	11	ChEMBL_2250695 (CHEMBL5164905)	Binding affinity to human galectin-4C (171 to 323 residues) expressed in Escherichia coli BL21 by competitive fluorescence anisotropy assay
50017825	1	ChEMBL_2250703 (CHEMBL5164913)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated C57BL/6 mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion preincubated for 3 hrs with LPS and for 30 mins with compound prior to nigericin addition and measured after 30 mins by ELISA
50017825	2	ChEMBL_2250719 (CHEMBL5164929)	Binding affinity to GFP-fused NLRP3 (unknown origin) expressed in HEK293T cells by MST assay
50017827	1	ChEMBL_2250749 (CHEMBL5164959)	Inhibition of GLS1 in mouse kidney assessed as inhibition of glutamate production using glutamine as substrate incubated for 1 hr by coupled assay
50017827	2	ChEMBL_2250751 (CHEMBL5164961)	Allosteric inhibition of human GLS1 using glutamine as substrate incubated for 60 mins by NADH/NADPH-based absorbance analysis
50017827	3	ChEMBL_2250762 (CHEMBL5164972)	Binding affinity to human GLS1 assessed as dissociation constant by surface plasmon resonance analysis
50017827	4	ChEMBL_2250816 (CHEMBL5165026)	Inhibition of GLS1 in mouse brain assessed as inhibition of glutamate production using glutamine as substrate incubated for 1 hr by coupled assay
50017828	1	ChEMBL_2250817 (CHEMBL5165027)	Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition and incubated for 60 mins by microplate reader assay
50017828	2	ChEMBL_2250818 (CHEMBL5165028)	Inhibition of Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 1 hr followed by substrate addition and incubated for 60 mins by microplate reader assay
50017828	3	ChEMBL_2250819 (CHEMBL5165029)	Inhibition of Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 1 hr followed by substrate addition and incubated for 60 mins by microplate reader assay
50017828	4	ChEMBL_2250820 (CHEMBL5165030)	Inhibition of human recombinant Cathepsin L using Z-Leu-Arg-AMC as substrate pretreated for 60 mins followed by substrate addition and incubated for 30 mins by microplate reader assay
50017828	5	ChEMBL_2250821 (CHEMBL5165031)	Inhibition of human recombinant Cathepsin B using Z-Leu-Arg-AMC as substrate pretreated for 60 mins followed by substrate addition and incubated for 30 mins by microplate reader assay
50017828	6	ChEMBL_2250822 (CHEMBL5165032)	Inhibition of human recombinant Cathepsin S using MCA-Arg-Pro-Lys-Pro-Val-Glu-NVAL-Trp-Arg-Lys-(DNP)-NH2 as substrate pretreated for 60 mins followed by substrate addition and incubated for 30 mins by microplate reader assay
50017828	7	ChEMBL_2250823 (CHEMBL5165033)	Inhibition of human Cathepsin K using MCA-Arg-Pro-Lys-Pro-Val-Glu-NVAL-Trp-Arg-Lys-(DNP)-NH2 as substrate pretreated for 60 mins followed by substrate addition and incubated for 30 mins by microplate reader assay
50017829	1	ChEMBL_2250880 (CHEMBL5165090)	Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroScale Thermophoresis (MST) assay
50017829	2	ChEMBL_2250881 (CHEMBL5165091)	Binding affinity towards His-tagged recombinant human PD-L1 measured by MST dimerization binding assay
50017829	3	ChEMBL_2250882 (CHEMBL5165092)	Inhibition of human PD-1/PD-L1 interaction in CHO-K1 cells transfected with PD-1-YFP/SHP-2-CFP and measured by FRET assay
50017829	4	ChEMBL_2250883 (CHEMBL5165093)	Binding affinity towards His-tagged recombinant human PD-L1 measured by Isothermal Titration Calorimetry (ITC) assay
50017830	1	ChEMBL_2250902 (CHEMBL5165112)	Inhibition of PARP1 (unknown origin)
50017830	2	ChEMBL_2250903 (CHEMBL5165113)	Inhibition of PARP2 (unknown origin)
50017834	1	ChEMBL_2250935 (CHEMBL5165145)	Binding affinity to human RAGE by MST assay
50017834	2	ChEMBL_2250936 (CHEMBL5165146)	Inhibition of amyloid beta binding to RAGE (unknown origin) transfected in CHO cells
50017834	3	ChEMBL_2250937 (CHEMBL5165147)	Binding affinity to recombinant human RAGE assessed as dissociation constant
50017834	4	ChEMBL_2250939 (CHEMBL5165149)	Inhibition of biotinylated human RAGE/amyloid beta interaction incubated for 120 mins by ELISA assay
50017834	5	ChEMBL_2250940 (CHEMBL5165150)	Inhibition of SERT (unknown origin) expressed in human HEK293 cells
50017834	6	ChEMBL_2250952 (CHEMBL5165162)	Inhibition of hERG transfected in CHO cells by manual patch-clamp assay
50017835	1	ChEMBL_2250981 (CHEMBL5165191)	Inhibition of 5- FAM labeled tracer binding to N-terminal His6-SUMO-tagged WDR5 (24 to 334 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells incubated for 3 hrs by fluorescence polarization based competitive binding assay
50017835	2	ChEMBL_2250983 (CHEMBL5165193)	Binding affinity to poly histidine tagged-human WDR5 (1 to 334 residues) expressed in Escherichia coli BL21 (DE3)-V2R-pRARE2 assessed as dissociation constant by surface plasmon resonance assay
50017835	3	ChEMBL_2250984 (CHEMBL5165194)	Binding affinity to WDR5 (unknown origin) using 10mer-Thr-FAM as substrate incubated for 30 mins by fluorescence polarization based competitive binding assay
50017835	4	ChEMBL_2250988 (CHEMBL5165198)	Inhibition of N-terminal 6xHis-SUMO-tagged human WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold (DE3) cells assessed as inhibition constant incubated for 1 hr by TR-FRET assay
50017835	5	ChEMBL_2250997 (CHEMBL5165207)	Competitive binding affinity to N-terminal 6xHis-SUMO-tagged human WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold (DE3) cells assessed as inhibition constant using 10-mer-Thr-FAM peptide as substrate incubated for 1 hr by Lantha Screen based TR-FRET assay
50017838	1	ChEMBL_2251008 (CHEMBL5165218)	Negative allosteric modulation activity against human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 30 mins by multi-mode microplate reader
50017839	1	ChEMBL_2251055 (CHEMBL5165265)	Inhibition of SPHK2 (unknown origin) using sphingosine-fluorescein as substrate incubated for 1 hr in presence of ATP by mobility shift assay
50017839	2	ChEMBL_2251057 (CHEMBL5165267)	Inhibition of SPHK1 (unknown origin) using sphingosine-fluorescein as substrate incubated for 1 hr in presence of ATP by mobility shift assay
50017839	3	ChEMBL_2251058 (CHEMBL5165268)	Inhibition of VEGFR1 (unknown origin)
50017839	4	ChEMBL_2251059 (CHEMBL5165269)	Inhibition of VEGFR2 (unknown origin)
50017839	5	ChEMBL_2251060 (CHEMBL5165270)	Inhibition of VEGFR3 (unknown origin)
50017839	6	ChEMBL_2251061 (CHEMBL5165271)	Inhibition of PDGFRalpha (unknown origin)
50017839	7	ChEMBL_2251062 (CHEMBL5165272)	Inhibition of PDGFRbeta (unknown origin)
50017839	8	ChEMBL_2251063 (CHEMBL5165273)	Inhibition of RET (unknown origin)
50017839	9	ChEMBL_2251064 (CHEMBL5165274)	Inhibition of FLT3 (unknown origin)
50017839	10	ChEMBL_2251065 (CHEMBL5165275)	Inhibition of EGFR (unknown origin)
50017839	11	ChEMBL_2251066 (CHEMBL5165276)	Inhibition of ERBB2 (unknown origin)
50017839	12	ChEMBL_2251067 (CHEMBL5165277)	Inhibition of ERBB4 (unknown origin)
50017839	13	ChEMBL_2251068 (CHEMBL5165278)	Inhibition of SRC (unknown origin)
50017839	14	ChEMBL_2251069 (CHEMBL5165279)	Inhibition of ABL (unknown origin)
50017839	15	ChEMBL_2251070 (CHEMBL5165280)	Inhibition of EPHA2 (unknown origin)
50017839	16	ChEMBL_2251071 (CHEMBL5165281)	Inhibition of EPHB2 (unknown origin)
50017839	17	ChEMBL_2251072 (CHEMBL5165282)	Inhibition of ACK1 (unknown origin)
50017839	18	ChEMBL_2251073 (CHEMBL5165283)	Inhibition of IGF1R (unknown origin)
50017839	19	ChEMBL_2251074 (CHEMBL5165284)	Inhibition of Insulin receptor (unknown origin)
50017839	20	ChEMBL_2251075 (CHEMBL5165285)	Inhibition of FGFR1 (unknown origin)
50017839	21	ChEMBL_2251076 (CHEMBL5165286)	Inhibition of FGFR2 (unknown origin)
50017839	22	ChEMBL_2251077 (CHEMBL5165287)	Inhibition of FGFR3 (unknown origin)
50017839	23	ChEMBL_2251078 (CHEMBL5165288)	Inhibition of FGFR4 (unknown origin)
50017839	24	ChEMBL_2251079 (CHEMBL5165289)	Inhibition of BTK (unknown origin)
50017839	25	ChEMBL_2251080 (CHEMBL5165290)	Inhibition of CSF1R (unknown origin)
50017839	26	ChEMBL_2251143 (CHEMBL5165353)	Inhibition of C-terminal His6-tagged human SPHK1 expressed in baculovirus infected Sf21 insect cells using FITC-sphingosine as substrate preincubated for 90 mins followed by substrate addition in presence of ATP by caliper mobility shift assay
50017839	27	ChEMBL_2251144 (CHEMBL5165354)	Inhibition of SPHK1 (unknown origin)
50017839	28	ChEMBL_2251145 (CHEMBL5165355)	Inhibition of SPHK2 (unknown origin)
50017839	29	ChEMBL_2251146 (CHEMBL5165356)	Inhibition of human SPHK1 by biochemical assay
50017839	30	ChEMBL_2251147 (CHEMBL5165357)	Inhibition of human SPHK2 by biochemical assay
50017839	31	ChEMBL_2251148 (CHEMBL5165358)	Inhibition of recombinant SPHK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using D-erythro-sphingosine as substrate incubated for 20 mins in presence of gamma-[32P]ATP by liquid scintillation counting method
50017839	32	ChEMBL_2251149 (CHEMBL5165359)	Inhibition of recombinant SPHK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using D-erythro-sphingosine as substrate incubated for 20 mins in presence of gamma-[32P]ATP by liquid scintillation counting method
50017842	1	ChEMBL_2251314 (CHEMBL5165524)	Inhibition of rat ATX lysoPLD activity using LPC as substrate assessed as reduction in choline release measured after 60 mins by HVA fluorescence based analysis
50017842	2	ChEMBL_2251316 (CHEMBL5165526)	Inhibition of rat ATX lysoPLD activity assessed as reduction in choline release using 14:0 LPC as substrate measured after 60 mins by HVA fluorescence based analysis
50017842	3	ChEMBL_2251317 (CHEMBL5165527)	Inhibition of rat ATX lysoPLD activity assessed as reduction in choline release using 16:0 LPC as substrate measured after 60 mins by HVA fluorescence based analysis
50017842	4	ChEMBL_2251318 (CHEMBL5165528)	Inhibition of rat ATX lysoPLD activity assessed as reduction in choline release using 18:1 LPC as substrate measured after 60 mins by HVA fluorescence based analysis
50017842	5	ChEMBL_2251319 (CHEMBL5165529)	Inhibition of rat ATX lysoPLD activity assessed as reduction in choline release using 20:0 LPC as substrate measured after 60 mins by HVA fluorescence based analysis
50017842	6	ChEMBL_2251324 (CHEMBL5165534)	Inhibition of rat ATX by Michaelis-Menten analysis
50017842	7	ChEMBL_2251327 (CHEMBL5165537)	Inhibition of LPA-mediated ATX activation in human BJeH cells assessed as AKT phosphorylation level incubated for 30 mins by Western blot analysis
50017842	8	ChEMBL_2251328 (CHEMBL5165538)	Inhibition of LPA-mediated ATX activation in human BJeH cells assessed as ERK phosphorylation level incubated for 30 mins by Western blot analysis
50017842	9	ChEMBL_2251329 (CHEMBL5165539)	Inhibition of LPA-mediated ATX activation in human MDA-MB-231 cells assessed as reduction in cell migration incubated for 4 hrs in using18:1 LPC as substrate by Diff-Quick II staining based method
50017844	1	ChEMBL_2251340 (CHEMBL5165550)	Inhibition of hERG
50017844	2	ChEMBL_2251460 (CHEMBL5165670)	Binding affinity to CM5 chip immobilized human MKK3 (20 to 347 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constants, KD by surface plasmon resonance analysis
50017844	3	ChEMBL_2251495 (CHEMBL5165705)	Binding affinity to CM5 chip immobilized human MKK3 (20 to 347 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant, Kd by surface plasmon resonance analysis
50017847	1	ChEMBL_2251537 (CHEMBL5165747)	Inhibition of PARP2 (unknown origin)
50017847	2	ChEMBL_2251538 (CHEMBL5165748)	Inhibition of PARP1 (unknown origin) using NAD as substrate incubated for 1 min
50017847	3	ChEMBL_2251539 (CHEMBL5165749)	Inhibition of PARP2 (unknown origin) using NAD as substrate incubated for 1 min
50017847	4	ChEMBL_2251540 (CHEMBL5165750)	Inhibition of BRD4 (unknown origin) incubated for 2 hrs by TR-FRET assay
50017847	5	ChEMBL_2251541 (CHEMBL5165751)	Inhibition of PARP1 (unknown origin) using NAD+ as substrate incubated for 60 mins by ELISA
50017847	6	ChEMBL_2251591 (CHEMBL5165801)	Inhibition of BRD4 (unknown origin)
50017847	7	ChEMBL_2251592 (CHEMBL5165802)	Inhibition of BRD4 BD1 (unknown origin)
50017847	8	ChEMBL_2251593 (CHEMBL5165803)	Inhibition of BRD4 BD2 (unknown origin)
50017847	9	ChEMBL_2251594 (CHEMBL5165804)	Inhibition of PARP1 (unknown origin)
50017848	1	ChEMBL_2251606 (CHEMBL5165816)	Inhibition of EGFR 19 del/T790M/C797S mutant (unknown origin) by ELISA
50017848	2	ChEMBL_2251607 (CHEMBL5165817)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA
50017848	3	ChEMBL_2251608 (CHEMBL5165818)	Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISA
50017848	4	ChEMBL_2251609 (CHEMBL5165819)	Inhibition of wild type EGFR (unknown origin) by ELISA
50017849	1	ChEMBL_2251619 (CHEMBL5165829)	Inhibition of SHP2 (unknown origin) using DiFMUP as substrate incubated for 60 mins followed by substrate addition for 30 mins by microplate reader method
50017849	2	ChEMBL_2251620 (CHEMBL5165830)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK4/Cyclin D3 expressed in Sf9 insect cells using 5-FAM-IPTSPITTTYFFFKKK as substrate preincubated for 10 mins followed by substrate addition and incubated for 3 hrs in presence of ATP by caliper mobility shift analysis
50017849	3	ChEMBL_2251626 (CHEMBL5165836)	Inhibition of SHP2 PTP domain (unknown origin) using DiFMUP as substrate preincubated for 20 mins followed by substrate addition and measured for 2 hrs by fluorescence based analysis
50017849	4	ChEMBL_2251627 (CHEMBL5165837)	Inhibition of SHP1 (unknown origin) using DiFMUP as substrate preincubated for 20 mins followed by substrate addition and measured for 2 hrs by fluorescence based analysis
50017849	5	ChEMBL_2251629 (CHEMBL5165839)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK2/Cyclin E2 expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	6	ChEMBL_2251630 (CHEMBL5165840)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK3/Cyclin E expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	7	ChEMBL_2251631 (CHEMBL5165841)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK4/Cyclin D3 expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	8	ChEMBL_2251632 (CHEMBL5165842)	Inhibition of recombinant full length N-terminal GST/His6-fusion tagged human CDK5/P25 expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	9	ChEMBL_2251633 (CHEMBL5165843)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK6/Cyclin D3 expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	10	ChEMBL_2251634 (CHEMBL5165844)	Inhibition of CDK7/Cyclin H (unknown origin) incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	11	ChEMBL_2251636 (CHEMBL5165846)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK12/Cyclin K expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017849	12	ChEMBL_2251637 (CHEMBL5165847)	Inhibition of recombinant N-terminal GST/His6-fusion tagged human CDK13/Cyclin K expressed in Sf9 insect cells incubated for 20 mins followed by [33P]gamma-ATP addition and measured after 2 hrs by radiometric HotSpot Kinase assay
50017850	1	ChEMBL_2251692 (CHEMBL5165902)	Inhibition of recombinant human PIM1 expressed in bacterial expression system using histone H1 as substrate measured after 30 mins in presence of ATP by ADP-Glo assay
50017850	2	ChEMBL_2251694 (CHEMBL5165904)	Inhibition of recombinant human Haspin (470 to 798 residues) expressed in bacterial expression system using ARTKQTARKSTGGKAPRKQLA as substrate measured after 30 mins in presence of ATP by ADP-Glo assay
50017850	3	ChEMBL_2251696 (CHEMBL5165906)	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50017850	4	ChEMBL_2251698 (CHEMBL5165908)	Inhibition of recombinant rat DYRK1A (1 to 499 residues ) expressed in bacterial expression system using KKISGRLSPIMTEQ as substrate measured after 30 mins in presence of ATP by ADP-Glo assay
50017850	5	ChEMBL_2251702 (CHEMBL5165912)	Inhibition of human recombinant GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate measured after 30 mins by ADP-Glo kinase assay
50017850	6	ChEMBL_2251704 (CHEMBL5165914)	Inhibition of human recombinant CK1 epsilon expressed in baculovirus in sf9 insect cells using RRKHAAIGSpAYSITA as substrate in presence of ATP measured after 30 mins by ADP-Glo assay
50017850	7	ChEMBL_2251705 (CHEMBL5165915)	Inhibition of human recombinant CDK5/p25 expressed in bacterial expression system using histone H1 as substrate in presence of ATP at measured after 30 mins by ADP-Glo assay
50017850	8	ChEMBL_2251708 (CHEMBL5165918)	Inhibition of human recombinant ABL1 expressed in baculovirus sf9 insect cells using EAIYAAPFAKKK as substrate measured after 30 mins in presence of ATP by ADP-Glo assay
50017850	9	ChEMBL_2251710 (CHEMBL5165920)	Inhibition of human recombinant JAK3 expressed in baculovirus sf9 insect cells using GGEEEEYFELVKKKK as substrate measured after 30 mins in presence of ATP by ADP-Glo assay
50017850	10	ChEMBL_2251717 (CHEMBL5165927)	Inhibition of recombinant human HASPIN (470 to 798 residues) expressed in bacterial expression system in presence of ATP by kinomescan assay
50017850	11	ChEMBL_2251718 (CHEMBL5165928)	Inhibition of human PLK1 in presence of ATP by kinomescan assay
50017850	12	ChEMBL_2251719 (CHEMBL5165929)	Inhibition of human PLK2 in presence of ATP by kinomescan assay
50017850	13	ChEMBL_2251720 (CHEMBL5165930)	Inhibition of human recombinant PLK3 in presence of ATP by kinomescan assay
50017850	14	ChEMBL_2251721 (CHEMBL5165931)	Inhibition of human DAPK3 in presence of ATP by kinomescan assay
50017851	1	ChEMBL_2251793 (CHEMBL5166003)	Inhibition of STING (unknown origin)
50017853	1	ChEMBL_2251800 (CHEMBL5166010)	Inhibition of eGFP-tagged rat GluN1-1a/GluN2A transfected in human tsA201 cells assessed as inhibition glutamate-induced current measured at -65 mV holding potential applied for 10 secs by whole-cell patch-clamp method
50017853	2	ChEMBL_2251801 (CHEMBL5166011)	Inhibition of eGFP-tagged rat GluN1-1a/GluN2A transfected in human tsA201 cells assessed as inhibition glutamate-induced current measured at -65 mV holding potential applied for 10 secs in presence of Mg2+ by whole-cell patch-clamp method
50017854	1	ChEMBL_2251833 (CHEMBL5166043)	Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inhibition of [3H]-InsP6 phosphorylation measured after 180 mins by HPLC analysis
50017854	2	ChEMBL_2251834 (CHEMBL5166044)	Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as substrate in presence of ATP measured after 60 to 120 mins by malachite green based colorimetric - DIPP1 coupled enzyme assay
50017854	3	ChEMBL_2251835 (CHEMBL5166045)	Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human IP6K2 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as substrate in presence of ATP measured after 60 to 120 mins by malachite green based colorimetric - DIPP1 coupled enzyme assay
50017854	4	ChEMBL_2251836 (CHEMBL5166046)	Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as substrate in presence of ATP measured after 60 to 120 mins by malachite green based colorimetric - DIPP1 coupled enzyme assay
50017854	5	ChEMBL_2251838 (CHEMBL5166048)	Inhibition of recombinant full length human IP6K2 assessed as inorganic phosphate release measured after 30 mins by ADP-Glo Max assay
50017854	6	ChEMBL_2251839 (CHEMBL5166049)	Inhibition of recombinant full length human IP6K1 assessed as inorganic phosphate release measured after 30 mins by ADP-Glo Max assay
50017854	7	ChEMBL_2251840 (CHEMBL5166050)	Inhibition of recombinant full length human IP6K3 assessed as inorganic phosphate release measured after 2 hrs by ADP-Glo Max assay
50017854	8	ChEMBL_2251844 (CHEMBL5166054)	Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human IP6K2 expressed in Escherichia coli assessed as inhibition of [3H]-InsP6 phosphorylation measured after 180 mins by HPLC analysis
50017854	9	ChEMBL_2251845 (CHEMBL5166055)	Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in Escherichia coli assessed as inhibition of [3H]-InsP6 phosphorylation measured after 180 mins by HPLC analysis
50017854	10	ChEMBL_2251846 (CHEMBL5166056)	Binding affinity to MBP-tagged recombinant human IP6K2 at 400 uM by isothermal titration calorimetry
50017855	1	ChEMBL_2251874 (CHEMBL5166084)	Binding affinity to wild type human partial length JAK3 (I781 to S1124 residues) expressed in mammalian expression system by Kinomescan binding assay
50017855	2	ChEMBL_2251875 (CHEMBL5166085)	Inhibition of ERK5 (unknown origin) using K-5FAM-LVEPLTPSGEAPNQ-COOH as substrate incubated for 2 hrs in presence of ATP by IMAP-FP assay
50017855	3	ChEMBL_2251877 (CHEMBL5166087)	Inhibition of human ERG
50017855	4	ChEMBL_2251880 (CHEMBL5166090)	Inhibition of ERK5 phosphorylation in human HeLa cells incubated for 1 hr by Western blot densitometry analysis
50017855	5	ChEMBL_2251885 (CHEMBL5166095)	Inhibition of P38 (unknown origin)
50017855	6	ChEMBL_2251892 (CHEMBL5166102)	Inhibition of BRD4 (unknown origin)
50017855	7	ChEMBL_2251893 (CHEMBL5166103)	Binding affinity to wild-type human partial length CSF1R (I564 to S939 residues) expressed in bacterial expression system by Kinomescan assay
50017855	8	ChEMBL_2251894 (CHEMBL5166104)	Binding affinity to wild-type human partial length DCLK1 (L270 to A662 residues) expressed in mammalian expression system by Kinomescan assay
50017855	9	ChEMBL_2251895 (CHEMBL5166105)	Binding affinity to wild-type human partial length MAPK7 (M1 to A409 residues) expressed in bacterial expression system by Kinomescan assay
50017855	10	ChEMBL_2251896 (CHEMBL5166106)	Binding affinity to wild-type human partial length LRRK2 (H970 to E2527 residues) expressed in mammalian expression system by Kinomescan assay
50017855	11	ChEMBL_2251897 (CHEMBL5166107)	Binding affinity to wild-type human partial length AURKA (E122 to K401 residues) expressed in mammalian expression system by Kinomescan assay
50017855	12	ChEMBL_2251898 (CHEMBL5166108)	Binding affinity to wild-type human partial length FGFR1 (P357 to V669 residues) expressed in bacterial expression system by Kinomescan assay
50017855	13	ChEMBL_2251899 (CHEMBL5166109)	Binding affinity to human partial length KIT (I571 to D952 residues) expressed in mammalian expression system by Kinomescan assay
50017855	14	ChEMBL_2251900 (CHEMBL5166110)	Binding affinity to human partial length ABL1 by Kinomescan assay
50017855	15	ChEMBL_2251901 (CHEMBL5166111)	Binding affinity to wild type human partial length MEK5 (L98 to P448 residues) expressed in mammalian expression system by Kinomescan binding assay
50017855	16	ChEMBL_2251902 (CHEMBL5166112)	Inhibition of ERK5 (1 to 492 residues) in HEK293 cells assessed as paradoxical activation of ERK5 transcriptional activity incubated for 20 hrs by dual luciferase reporter assay
50017855	17	ChEMBL_2251903 (CHEMBL5166113)	Inhibition of full-length ERK5 in HEK293 cells assessed as paradoxical activation of ERK5 transcriptional activity incubated for 20 hrs by dual luciferase reporter assay
50017855	18	ChEMBL_2251910 (CHEMBL5166120)	Inhibition of ERK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins in presence of ATP by PKlight ATP detection reagent based luciferase assay
50017855	19	ChEMBL_2251911 (CHEMBL5166121)	Inhibition of MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins in presence of ATP by PKlight ATP detection reagent based luciferase assay
50017855	20	ChEMBL_2251912 (CHEMBL5166122)	Inhibition of ERK5 (unknown origin) incubated for 1 hr by KiNativ profiling analysis
50017855	21	ChEMBL_2251913 (CHEMBL5166123)	Binding affinity to human BRD4 BD1 (44 to 168 residues) expressed in bacterial expression system by bromoscan assay
50017855	22	ChEMBL_2251914 (CHEMBL5166124)	Inhibition of human recombinant N-terminal GST-tagged ERK5 (1 to 398 residues) expressed in Escherichia coli using biotinylated peptide Ahx-PPGDYSTTPGGTLFSTTPGGTRI as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in presence of ATP by TR-FRET method
50017855	23	ChEMBL_2251915 (CHEMBL5166125)	Inhibition of human recombinant N-terminal His-tagged / TEV cleavage site fused ERK5 (2 to 409 residues) expressed in baculovirus infected Sf9 cells using K-5FAM-LVEPLTPSGEAPNQ-COOH as substrate incubated for 2 hrs in presence of ATP by IMAP-FP assay
50017856	1	ChEMBL_2251918 (CHEMBL5166128)	Inhibition of C-terminal Avi and 6His-tagged human KRAS 2B G12C mutant (1 to 166 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of SOS mediated nucleotide exchange preincubated for 4 hrs followed by SOS1 addition by HTRF assay
50017856	2	ChEMBL_2251948 (CHEMBL5166158)	Inhibition of p90RSK phosphorylation in human NCI-H358 cells harboring KRAS G12C mutant measured for 2 hrs by immunofluorescence assay
50017856	3	ChEMBL_2251949 (CHEMBL5166159)	Inhibition of p90RSK phosphorylation in human PC-9 cells measured for 2 hrs by immunofluorescence assay
50017856	4	ChEMBL_2251950 (CHEMBL5166160)	Inhibition of p90RSK phosphorylation in human Calu-6 cells harboring KRAS Q61K measured for 2 hrs by immunofluorescence assay
50017859	1	ChEMBL_2251991 (CHEMBL5166201)	Inhibition of JAK1 (unknown origin)
50017859	2	ChEMBL_2251997 (CHEMBL5166207)	Binding affinity to His-tagged STAT3 (127 to 722 residues) (unknown origin) incubated for 30 mins by MST assay
50017859	3	ChEMBL_2251998 (CHEMBL5166208)	Binding affinity to His-tagged STAT3-SH2 domain (586 to 685 residues) (unknown origin) incubated for 30 mins by MST assay
50017859	4	ChEMBL_2252048 (CHEMBL5166258)	Inhibition of JAK2 (unknown origin)
50017859	5	ChEMBL_2252049 (CHEMBL5166259)	Inhibition of JAK3 (unknown origin)
50017859	6	ChEMBL_2252050 (CHEMBL5166260)	Inhibition of Src (unknown origin)
50017859	7	ChEMBL_2252053 (CHEMBL5166263)	Inhibition of STAT3-SH2 (unknown origin) using 5-carboxyfluorescein-GY(PO3H2)EEIP as substrate incubated with compound for 1 hr followed by substrate addition by fluorescence polarization assay
50017859	8	ChEMBL_2252054 (CHEMBL5166264)	Binding affinity to full length STAT3 (unknown origin) by Surface plasmon resonance
50017861	1	ChEMBL_2252172 (CHEMBL5166382)	Inhibition of recombinant full length human DAO preincubated with compound for 20 mins measured after 4 hrs by Amplex red and horseradish peroxidase based fluorescence assay
50017861	2	ChEMBL_2252183 (CHEMBL5166393)	Inhibition of full length human DAO transfected in CHO-K1 cells incubated for 30 mins by Amplex red and horseradish peroxidase based fluorescence assay
50017861	3	ChEMBL_2252184 (CHEMBL5166394)	Inhibition of full length mouse DAO transfected with CHO-K1 cells incubated for 30 mins by Amplex red and horseradish peroxidase based fluorescence assay
50017861	4	ChEMBL_2252202 (CHEMBL5166412)	Inhibition of human COX2
50017861	5	ChEMBL_2252203 (CHEMBL5166413)	Inhibition of human recombinant 5-LOX incubated for 5 mins by fluorimetry
50017861	6	ChEMBL_2252204 (CHEMBL5166414)	Inhibition of recombinant human adenosine A3 GPCR incubated for 120 mins by scintillation counting based radiometry assay
50017861	7	ChEMBL_2252205 (CHEMBL5166415)	Inhibition of GR human glucocorticoid NHR incubated for 360 mins by scintillation counting based radiometry assay
50017861	8	ChEMBL_2252206 (CHEMBL5166416)	Inhibition of recombinant human PPAR gamma NHR incubated for 120 mins by scintillation counting based radiometry assay
50017864	1	ChEMBL_2252266 (CHEMBL5166476)	Displacement of [3H]HOCPCA from CaMK2alpha in rat brain cerebral cortex membrane homogenates assessed as inhibition constant measured after 60 mins by TopCount scintillation counting method
50017864	2	ChEMBL_2252268 (CHEMBL5166478)	Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membrane homogenates assessed as inhibition constant measured after 60 mins by TopCount scintillation counting method
50017864	3	ChEMBL_2252269 (CHEMBL5166479)	Displacement of [3H]HOCPCA from recombinant full length CaMK2alpha (unknown origin) expressed in HEK293 cell homogenates assessed as inhibition constant measured after 60 mins by liquid scintillation counting method
50017864	4	ChEMBL_2252271 (CHEMBL5166481)	Binding affinity to recombinant human CaMK2alpha Thr354Asn mutant expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by surface plasmon resonance assay
50017864	5	ChEMBL_2252273 (CHEMBL5166483)	Binding affinity to recombinant human CaMK2alpha Glu355Gln mutant expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50017864	6	ChEMBL_2252274 (CHEMBL5166484)	Binding affinity to recombinant human CaMK2alpha Thr412Asn mutant expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50017864	7	ChEMBL_2252275 (CHEMBL5166485)	Binding affinity to recombinant human CaMK2alpha Ile414Met mutant expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50017864	8	ChEMBL_2252276 (CHEMBL5166486)	Binding affinity to recombinant human CaMK2alpha Ile464His mutant expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50017864	9	ChEMBL_2252277 (CHEMBL5166487)	Binding affinity to recombinant human CaMK2alpha Phe467Met mutant expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by surface plasmon resonance assay
50017864	10	ChEMBL_2252301 (CHEMBL5166511)	Inhibition of [3H]NCS-382 binding to CaMK2alpha in rat cerebrocortical membranes
50017864	11	ChEMBL_2252302 (CHEMBL5166512)	Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin)
50017865	1	ChEMBL_2252308 (CHEMBL5166518)	Inhibition of Staphylococcus aureus ATTC 25923 DNA gyrase
50017865	2	ChEMBL_2252312 (CHEMBL5166522)	Inhibition of Mycobacterium tuberculosis H37Rv DNA gyrase
50017866	1	ChEMBL_2252359 (CHEMBL5166569)	Inhibition of EZH2 (unknown origin) using H3-derivede peptide (21 to 44) as substrate incubated for 60 min in presence of SAM by MTase-Glo assay
50017866	2	ChEMBL_2252360 (CHEMBL5166570)	Displacement of fluorescein-labeled JQ1 from His6/TEV cleavage site fused human BRD4 (residues N44 to E168) expressed in Escherichia coli BL21 (DE3) incubated for 60 min by Fluorescence polarization assay
50017867	1	ChEMBL_2252392 (CHEMBL5166602)	Binding affinity to N-terminal 6-His tagged human LRH-1 LBD (299 to 541 residues) expressed in Escherichia coli BL21-(DE3) assessed as inhibition constant using 6N-FAM as substrate by fluorescence polarization competition assay
50017867	2	ChEMBL_2252393 (CHEMBL5166603)	Agonist activity at LRH-1 (unknown origin) transfected in human HeLa cells measured after 24 hrs by Dual Glo luciferase reporter gene assay
50017867	3	ChEMBL_2252564 (CHEMBL5166774)	Binding affinity to N-terminal 6-His tagged human LRH-1 LBD (299 to 541 residues) expressed in Escherichia coli BL21-(DE3) assessed as dissociation constant of SRC3 using FAM-labeled +H3N-KKENNALLRYLLDRDDPSD-CO2- peptide as substrate incubated overnight followed by substrate addition incubated for overnight by fluorescence polarization assay (Rvb = 7 microM)
50017867	4	ChEMBL_2252565 (CHEMBL5166775)	Binding affinity to N-terminal 6-His tagged human LRH-1 LBD (299 to 541 residues) expressed in Escherichia coli BL21-(DE3) assessed as dissociation constant of PGC-1alpha using FAM-labeled +H3N-EAEEPSLLKKLLLAPANTQ-CO2- peptide as substrate incubated overnight followed by substrate addition incubated for overnight by fluorescence polarization assay (Rvb = 1300 nM)
50017867	5	ChEMBL_2252566 (CHEMBL5166776)	Binding affinity to N-terminal 6-His tagged human LRH-1 LBD (299 to 541 residues) expressed in Escherichia coli BL21-(DE3) assessed as dissociation constant of SHP using FAM-labeled +H3N-QGAASRPAILYALLSSSLK-CO2- peptide as substrate incubated overnight followed by substrate addition incubated for overnight by fluorescence polarization assay (Rvb = 1200 nM)
50017868	1	ChEMBL_2252577 (CHEMBL5166787)	Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of N-terminal biotinylated coactivator SRC2-3 peptide recruitment by alphascreen assay
50017868	2	ChEMBL_2252578 (CHEMBL5166788)	Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as induction of N-terminal biotinylated coactivator SRC2-3 peptide recruitment by alphascreen assay
50017868	3	ChEMBL_2252580 (CHEMBL5166790)	Inhibition of PHD2 (unknown origin) incubated for 15 mins by competitive fluorescence polarization assay
50017869	1	ChEMBL_2252626 (CHEMBL5166836)	Binding affinity to MAGEA4 (unknown origin) expressed in Escherichia coli BL21-(DE3) by isothermal titration calorimetry
50017869	2	ChEMBL_2252627 (CHEMBL5166837)	Binding affinity to recombinant N-terminal His-tagged MAGEA4-MH domain (unknown origin) expressed in Escherichia coli BL21-(DE3) by isothermal titration calorimetry
50017869	3	ChEMBL_2252629 (CHEMBL5166839)	Inhibition of Eu-W1024 streptavidin-labeled MAGEA4 (unknown origin) expressed in Escherichia coli BL21-(DE3) incubated for 30 to 60 mins by LANCE TR-FRET assay
50017870	1	ChEMBL_2252652 (CHEMBL5166862)	Competitive inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate assessed as inhibition constant by Michaelis-Menten analysis
50017870	2	ChEMBL_2252660 (CHEMBL5166870)	Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate incubated for 30 mins by microplate reader method
50017870	3	ChEMBL_2252661 (CHEMBL5166871)	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate incubated for 30 mins by fluorescence based assay
50017870	4	ChEMBL_2252666 (CHEMBL5166876)	Displacement of [3H]-CP55940 from human CB2 receptor incubated for 90 mins
50017870	5	ChEMBL_2252667 (CHEMBL5166877)	Displacement of [3H]-CP55940 from human CB1 receptor incubated for 90 mins
50017873	1	ChEMBL_2252691 (CHEMBL5166901)	Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by fluorescence based assay
50017873	2	ChEMBL_2252700 (CHEMBL5166910)	Inhibition of full length recombinant human Notum expressed in HEK293S cells expressing TCF-LEF preincubated for 30 mins followed by Wnt-3A addition and measured after 1 hr by luminescence based microplate reader analysis
50017873	3	ChEMBL_2252727 (CHEMBL5166937)	Inhibition of notum in human SW620 cells
50017873	4	ChEMBL_2252728 (CHEMBL5166938)	Inhibition of human HTR3A
50017873	5	ChEMBL_2252729 (CHEMBL5166939)	Inhibition of human recombinant nAChRalpha4/beta2 incubated for 120 mins by radiometric scintillation counting method
50017873	6	ChEMBL_2252730 (CHEMBL5166940)	Inhibition of human MAOA
50017873	7	ChEMBL_2252731 (CHEMBL5166941)	Inhibition of hERG
50017873	8	ChEMBL_2252733 (CHEMBL5166943)	Inhibition of human Nav1.5
50017873	9	ChEMBL_2252746 (CHEMBL5166956)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence or absence of NADPH
50017873	10	ChEMBL_2252747 (CHEMBL5166957)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate in presence or absence of NADPH
50017873	11	ChEMBL_2252748 (CHEMBL5166958)	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate in presence or absence of NADPH
50017873	12	ChEMBL_2252749 (CHEMBL5166959)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence or absence of NADPH
50017873	13	ChEMBL_2252751 (CHEMBL5166961)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence or absence of NADPH
50017873	14	ChEMBL_2252752 (CHEMBL5166962)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence or absence of NADPH
50017873	15	ChEMBL_2252753 (CHEMBL5166963)	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence or absence of NADPH
50017873	16	ChEMBL_2252754 (CHEMBL5166964)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence or absence of NADPH
50017878	1	ChEMBL_2252775 (CHEMBL5166985)	Inhibition of recombinant full length His tagged human CDK8/Cyclin C expressed in Baculovirus incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50017879	1	ChEMBL_2252843 (CHEMBL5167053)	Inhibition of human recombinant full length GST-tagged p38alpha expressed in Escherichia coli preincubated for 2 hrs followed by ATP addition and measured after 1 hr by Alpha screen assay
50017879	2	ChEMBL_2252846 (CHEMBL5167056)	Inhibition of recombinant human full length His-tagged p38beta expressed in baculovirus expression system preincubated for 2 hrs followed by ATP addition and measured after 1 hr by Alpha screen assay
50017879	3	ChEMBL_2252847 (CHEMBL5167057)	Inhibition of recombinant human full length His-tagged p38gamma expressed in baculovirus expression system preincubated for 2 hrs followed by ATP addition and measured after 1 hr by Alpha screen assay
50017879	4	ChEMBL_2252848 (CHEMBL5167058)	Inhibition of recombinant human full length His-tagged p38delta expressed in baculovirus expression system preincubated for 2 hrs followed by ATP addition and measured after 1 hr by Alpha screen assay
50017881	1	ChEMBL_2252880 (CHEMBL5167090)	Inhibition of FGFR1 (unknown origin) incubated for 1 hr in presence of ATP based Z'-LYTE assay
50017881	2	ChEMBL_2252881 (CHEMBL5167091)	Inhibition of FGFR4 (unknown origin) incubated for 1 hr in presence of ATP based Z'-LYTE assay
50017881	3	ChEMBL_2252882 (CHEMBL5167092)	Inhibition of N-terminal GST tagged FGFR4 (unknown origin) expressed in baculovirus infected sf21 insect cells incubated for 2 hrs by HTRF analysis
50017881	4	ChEMBL_2252889 (CHEMBL5167099)	Inhibition of FGFR1 (unknown origin) by Z'-LYTE assay
50017881	5	ChEMBL_2252890 (CHEMBL5167100)	Inhibition of FGFR2 (unknown origin) by Z'-LYTE assay
50017882	1	ChEMBL_2252949 (CHEMBL5167159)	Inhibition of Influenza A virus (A/Wisconsin/09/2013(HIN1)) recombinant Neuraminidase using MUNANA as substrate incubated for 60 mins by fluorescence based assay
50017883	1	ChEMBL_2252998 (CHEMBL5167208)	Inhibition of recombinant SARS-CoV-2 Main protease using ALNDFSNSGSDVLYQPPQTSITSAVLQ/SGFRKMAFPS-NH2 as substrate preincubated for 45 to 75 mins followed by substrate addition measured after 6 mins by SPE-MS inhibition assay
50017885	1	ChEMBL_2253008 (CHEMBL5167218)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction expressed in Escherichia coli BL21 codon plus cells using FITC-beta-DEETGEF-OH as substrate incubated for 30 mins by fluorescence polarization assay
50017885	2	ChEMBL_2253010 (CHEMBL5167220)	Binding affinity to Keap1 (unknown origin) expressed in Escherichia coli BL21 codon plus cells by isothermal titration calorimetry
50017885	3	ChEMBL_2253028 (CHEMBL5167238)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by SPR assay
50017885	4	ChEMBL_2253029 (CHEMBL5167239)	Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by ITC assay
50017886	1	ChEMBL_2253038 (CHEMBL5167248)	Binding affinity to human recombinant VHL assessed as dissociation constant by SPR assay
50017886	2	ChEMBL_2253039 (CHEMBL5167249)	Binding affinity to recombinant influenza A hemagglutinin assessed as dissociation constant by SPR assay
50017888	1	ChEMBL_2253080 (CHEMBL5167290)	Inhibition of Beagle dog kidney NA+/K+ ATPase alpha 1 by measuring 32P-ATP hydrolysis preincubated for 10 mins followed by addition of 32P-ATP measured after 15 mins
50017893	1	ChEMBL_2253109 (CHEMBL5167319)	Inhibition of CYP2D6 (unknown origin)
50017893	2	ChEMBL_2253112 (CHEMBL5167322)	Displacement of [3H]Ro151788 from human recombinant alpha5beta3gamma2 GABAA receptor stably expressed in HEK293 cell membrane assessed as inhibition constant by radioligand binding assay
50017893	3	ChEMBL_2253116 (CHEMBL5167326)	Inhibition of hERG expressed in CHO cells stably at -80 mV holding potential by automated patch clamp method
50017893	4	ChEMBL_2253141 (CHEMBL5167351)	Inhibition of CYP1A2 (unknown origin)
50017893	5	ChEMBL_2253142 (CHEMBL5167352)	Inhibition of CYP2C8 (unknown origin)
50017893	6	ChEMBL_2253143 (CHEMBL5167353)	Inhibition of CYP2C9 (unknown origin)
50017893	7	ChEMBL_2253144 (CHEMBL5167354)	Inhibition of CYP3A4 (unknown origin)
50017893	8	ChEMBL_2253145 (CHEMBL5167355)	Inhibition of CYP2B6 (unknown origin)
50017893	9	ChEMBL_2253146 (CHEMBL5167356)	Inhibition of CYP2C19 (unknown origin)
50017895	1	ChEMBL_2253171 (CHEMBL5167381)	Binding affinity to RIOK2 (unknown origin) assessed as dissociation constant
50017895	2	ChEMBL_2253172 (CHEMBL5167382)	Displacement of fluorescent tracer K5 from N-terminal full-length NanoLuc-fused RIOK2 (unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50017895	3	ChEMBL_2253173 (CHEMBL5167383)	Binding affinity to wild-type human partial length RIOK2 (M1 to D313 residues) expressed in mammalian expression system assessed as dissociation constant by KINOMEscan assay
50017895	4	ChEMBL_2253180 (CHEMBL5167390)	Inhibition of N-terminal hexahistidine-SUMO-tagged human full length RIOK2 (residues 1 to 321) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins in presence of ATP by ADP-Glo assay
50017899	1	ChEMBL_2253199 (CHEMBL5167409)	Binding affinity to peripheral benzodiazepine receptor (unknown origin)
50017899	2	ChEMBL_2253201 (CHEMBL5167411)	Positive allosteric modulator activity at human MRGPRX1 expressed in HEK293 cells in presence of BAM8-22 by Fluo4-dye based FLIPR assay
50017899	3	ChEMBL_2253214 (CHEMBL5167424)	Binding affinity to D5 receptor (unknown origin)
50017899	4	ChEMBL_2253215 (CHEMBL5167425)	Binding affinity to H1 receptor (unknown origin)
50017901	1	ChEMBL_2253217 (CHEMBL5167427)	Inhibition of full length beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)-N-terminal biotinylated human BCL9 (350 to 375 residues) protein-protein interaction incubated for 1 hr by Alphascreen assay
50017903	1	ChEMBL_2253254 (CHEMBL5167464)	Inhibition of human recombinant NAMPT preincubated for 5 mins followed by addition NAMPT measured after 15 mins by HTS assay
50017903	2	ChEMBL_2253255 (CHEMBL5167465)	Binding affinity to human recombinant LC3B assessed as dissociation constant by isothermal titration calorimetry
50017903	3	ChEMBL_2253256 (CHEMBL5167466)	Binding affinity to human recombinant LC3B assessed as dissociation constant incubated for 30 mins by fluorescence anisotropy assay
50017903	4	ChEMBL_2253257 (CHEMBL5167467)	Inhibition of NAMPT (unknown origin) measured after 90 mins by measuring fluorescence intensity
50017903	5	ChEMBL_2253259 (CHEMBL5167469)	Binding affinity to LC3B (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50017905	1	ChEMBL_2253270 (CHEMBL5167480)	Displacement of [125I]R3/I5 from human RXFP3 expressed in CHO-K1 cells membrane assessed as inhibition constant incubated for 1 hr by microplate scintillation counting analysis
50017905	2	ChEMBL_2253271 (CHEMBL5167481)	Antagonist activity at human RXFP3 expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation measured after 30 mins in presence of relaxin-3 by TR-FRET assay
50017905	3	ChEMBL_2253284 (CHEMBL5167494)	Antagonist activity at human RXFP3 expressed in CHO-K1 cells assessed as [35S]GTPgammaS binding incubated for 1 hr by [35S]GTP-gammaS binding assay
50017905	4	ChEMBL_2253287 (CHEMBL5167497)	Antagonist activity at human RXFP3 expressed in CHO-K1 cells assessed as inhibition of relaxin-3 stimulated ERK1/2 phosphorylation preincubated for 15 mins followed by relaxin-3 addition for 5 mins
50017905	5	ChEMBL_2253304 (CHEMBL5167514)	Inhibition of sigma-2 receptor (unknown origin)
50017910	1	ChEMBL_2253367 (CHEMBL5167577)	Binding affinity to human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to 369 residues) expressed in Escherichia coli by isothermal titration calorimetry
50017910	2	ChEMBL_2253368 (CHEMBL5167578)	Inhibition of human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to 369 residues) expressed in Escherichia coli using KKLNRTLSFAEPG peptide as substrate in presence of [gamma-33P]ATP by radiometric based scintillation proximity assay
50017910	3	ChEMBL_2253369 (CHEMBL5167579)	Inhibition of human CK2alpha1 using RRRDDDSDDD peptide as substrate in presence of [gamma-33P]ATP by radiometric based scintillation proximity assay
50017910	4	ChEMBL_2253371 (CHEMBL5167581)	Inhibition of human N-terminal His-tagged/ TEV cleavage fused DRAK1 (39 to 369 residues) transfected in HEK293T cells using NanoBRET NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50017910	5	ChEMBL_2253372 (CHEMBL5167582)	Inhibition of CK2alpha1(unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50017910	6	ChEMBL_2253374 (CHEMBL5167584)	Inhibition of GAK (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50017910	7	ChEMBL_2253375 (CHEMBL5167585)	Inhibition of BIKE (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50017910	8	ChEMBL_2253376 (CHEMBL5167586)	Inhibition of DRAK2 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50017914	1	ChEMBL_2253406 (CHEMBL5167616)	Inhibition of mouse Spns2 transfected in human HeLa cells by measuring S1P release by LC/MS analysis
50017914	2	ChEMBL_2253409 (CHEMBL5167619)	Inhibition of recombinant mouse SphK2 transfected in HEK293T cells using D-erythro-sphingosine measured after 20 mins in presence of gamma-[p32]-ATP by autoradiography and liquid scintillation counting method
50017916	1	ChEMBL_2253422 (CHEMBL5167632)	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-glo luminescence assay
50017916	2	ChEMBL_2253423 (CHEMBL5167633)	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-glo luminescence assay
50017916	3	ChEMBL_2253425 (CHEMBL5167635)	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-glo luminescence assay
50017916	4	ChEMBL_2253426 (CHEMBL5167636)	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 1 hr in presence of ATP by ADP-glo luminescence assay
50017916	5	ChEMBL_2253427 (CHEMBL5167637)	Inhibition of mTOR (unknown origin)
50017916	6	ChEMBL_2253428 (CHEMBL5167638)	Inhibition of PI3Kdelta in IgM stimulated human Raji cells incubated for 10 mins by AlphaLISA assay
50017916	7	ChEMBL_2253429 (CHEMBL5167639)	Inhibition of PI3Kalpha in IGF-1 stimulated mouse C2C12 cells incubated for 10 mins by AlphaLISA assay
50017916	8	ChEMBL_2253430 (CHEMBL5167640)	Inhibition of PI3Kbeta in LPA stimulated human PC-3 cells incubated for 10 mins by AlphaLISA assay
50017916	9	ChEMBL_2253431 (CHEMBL5167641)	Inhibition of PI3Kgamma in C5a stimulated mouse RAW264.7 cells incubated for 10 mins by AlphaLisa assay
50017918	1	ChEMBL_2253490 (CHEMBL5167700)	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	2	ChEMBL_2253497 (CHEMBL5167707)	Agonist activity at human CLpP (57 to 277 amino acids) expressed in Escherichia coli using fluorogenic peptide AC-WLA-AMC as substrate incubated for 10 mins by fluorescence based assay
50017918	3	ChEMBL_2253505 (CHEMBL5167715)	Binding affinity to human CLpP assessed as dissociation constant by ITC method
50017918	4	ChEMBL_2253555 (CHEMBL5167765)	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	5	ChEMBL_2253556 (CHEMBL5167766)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	6	ChEMBL_2253557 (CHEMBL5167767)	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	7	ChEMBL_2253558 (CHEMBL5167768)	Inhibition of CYP3A4 in human liver microsomes using midazolam and testosterone as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	8	ChEMBL_2253559 (CHEMBL5167769)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	9	ChEMBL_2253560 (CHEMBL5167770)	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 5 to 45 mins in presence of NADPH by LC/MS analysis
50017918	10	ChEMBL_2253561 (CHEMBL5167771)	Inhibition of hERG expressed in HEK293 cells by automated patch clamp assay
50017919	1	ChEMBL_2253612 (CHEMBL5167822)	Antagonist activity at ERalpha expressed in human HEK293T cells measured after 24 hrs by dual luciferase reporter assay
50017921	1	ChEMBL_2253671 (CHEMBL5167881)	Inhibition of PRMT1 (unknown origin) using histone H4 (1 to 21 residues) peptide as substrate incubated for 210 mins in presence of SAM by AlphaLISA assay
50017921	2	ChEMBL_2253676 (CHEMBL5167886)	Inhibition of EZH2 (unknown origin) using peptide substrate preincubated for 10 mins followed by substrate addition for 4 hrs by HTRF assay
50017921	3	ChEMBL_2253677 (CHEMBL5167887)	Inhibition of MLL1 (unknown origin) using peptide substrate preincubated for 10 mins followed by substrate addition for 4 hrs by HTRF assay
50017921	4	ChEMBL_2253678 (CHEMBL5167888)	Inhibition of MLL4 (unknown origin) using peptide substrate preincubated for 10 mins followed by substrate addition for 4 hrs by HTRF assay
50017921	5	ChEMBL_2253679 (CHEMBL5167889)	Inhibition of PRMT5 (unknown origin) using histone H4 (1 to 21 residues) peptide/SAM as substrate incubated for 210 mins in presence of SAM by AlphaLISA assay
50017921	6	ChEMBL_2253680 (CHEMBL5167890)	Inhibition of NSD2 (unknown origin) using histone H4 (1 to 21 residues) peptide/SAM as substrate incubated for 210 mins in presence of SAM by AlphaLISA assay
50017921	7	ChEMBL_2253681 (CHEMBL5167891)	Inhibition of PRMT4 (unknown origin) using histone H4 (1 to 21 residues) peptide/SAM as substrate incubated for 210 mins in presence of SAM by AlphaLISA assay
50017921	8	ChEMBL_2253703 (CHEMBL5167913)	Displacement of [3H]-SAM from PRMT5 (unknown origin) using peptide substrate preincubated for 15 mins followed by substrate addition for 60 mins by radioactive biochemical assay
50017921	9	ChEMBL_2253721 (CHEMBL5167931)	Inhibition of PRMT5 (unknown origin) by biochemical assay
50017923	1	ChEMBL_2253822 (CHEMBL5168032)	Binding affinity to MBP-tagged human recombinant AF9 (487 to 568 residues) incubated for 40 mins by measuring fluorescence polarization by microplate reader method
50017923	2	ChEMBL_2253823 (CHEMBL5168033)	Binding affinity to MBP-tagged human recombinant ENL (489 to 559 residues) incubated for 40 mins by measuring fluorescence polarization by microplate reader method
50017924	1	ChEMBL_2253893 (CHEMBL5168103)	Inhibition of wild type FGFR1 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50017924	2	ChEMBL_2253894 (CHEMBL5168104)	Inhibition of FGFR4 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50017924	3	ChEMBL_2253898 (CHEMBL5168108)	Inhibition of wild type FGFR2 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50017924	4	ChEMBL_2253899 (CHEMBL5168109)	Inhibition of wild type FGFR3 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50017924	5	ChEMBL_2253900 (CHEMBL5168110)	Inhibition of FGFR4 V550L mutant (unknown origin) at 1 uM using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA
50017924	6	ChEMBL_2253944 (CHEMBL5168154)	Inhibition of CYP1A2 in human liver microsomes
50017924	7	ChEMBL_2253945 (CHEMBL5168155)	Inhibition of CYP2B6 in human liver microsomes
50017924	8	ChEMBL_2253946 (CHEMBL5168156)	Inhibition of CYP2C8 in human liver microsomes
50017924	9	ChEMBL_2253947 (CHEMBL5168157)	Inhibition of CYP2C9 in human liver microsomes
50017924	10	ChEMBL_2253948 (CHEMBL5168158)	Inhibition of CYP2C19 in human liver microsomes
50017924	11	ChEMBL_2253949 (CHEMBL5168159)	Inhibition of CYP2D6 in human liver microsomes
50017924	12	ChEMBL_2253950 (CHEMBL5168160)	Inhibition of CYP3A4 in human liver microsomes using Midazolam as substrate
50017924	13	ChEMBL_2253951 (CHEMBL5168161)	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate
50017924	14	ChEMBL_2253956 (CHEMBL5168166)	Inhibition of hERG channel assessed as prolongation of QT interval by patch clamp method
50017924	15	ChEMBL_2253962 (CHEMBL5168172)	Inhibition of FGFR1 (unknown origin) incubated for 30 mins by trilux reader method
50017924	16	ChEMBL_2253963 (CHEMBL5168173)	Inhibition of FGFR2 (unknown origin) incubated for 30 mins by trilux reader method
50017924	17	ChEMBL_2253964 (CHEMBL5168174)	Inhibition of FGFR3 (unknown origin) incubated for 30 mins by trilux reader method
50017924	18	ChEMBL_2253965 (CHEMBL5168175)	Inhibition of FGFR4 (unknown origin) incubated for 30 mins by trilux reader method
50017924	19	ChEMBL_2253966 (CHEMBL5168176)	Inhibition of VEGFR2 (unknown origin) incubated for 30 mins by trilux reader method
50017924	20	ChEMBL_2253967 (CHEMBL5168177)	Inhibition of FGFR1 (unknown origin) using FLT3 as substrate incubated for 60 mins in presence of ATP by time-resolved fluorescence energy-transfer assay
50017924	21	ChEMBL_2253968 (CHEMBL5168178)	Inhibition of FGFR2 (unknown origin) using FLT3 as substrate incubated for 30 mins in presence of ATP by time-resolved fluorescence energy-transfer assay
50017924	22	ChEMBL_2253969 (CHEMBL5168179)	Inhibition of FGFR3 (unknown origin) using FLT3 as substrate incubated for 60 mins in presence of ATP by time-resolved fluorescence energy-transfer assay
50017924	23	ChEMBL_2253970 (CHEMBL5168180)	Inhibition of FGFR4 (unknown origin) using FLT3 as substrate incubated for 45 mins in presence of ATP by time-resolved fluorescence energy-transfer assay
50017924	24	ChEMBL_2253971 (CHEMBL5168181)	Inhibition of VEGFR2 (unknown origin) using FLT3 as substrate incubated for 60 mins in presence of ATP by time-resolved fluorescence energy-transfer assay
50017924	25	ChEMBL_2253972 (CHEMBL5168182)	Inhibition of recombinant FGFR1 (unknown origin) by mobility assay
50017924	26	ChEMBL_2253973 (CHEMBL5168183)	Inhibition of recombinant FGFR2 (unknown origin) by mobility assay
50017924	27	ChEMBL_2253974 (CHEMBL5168184)	Inhibition of recombinant FGFR3 (unknown origin) by mobility assay
50017924	28	ChEMBL_2253975 (CHEMBL5168185)	Inhibition of recombinant FGFR4 (unknown origin) by mobility assay
50017926	1	ChEMBL_2254036 (CHEMBL5168246)	Inhibition of N-terminal His6-tagged SARS-CoV2 Wuhan-Hu-1 3C-like protease infected in expressed in Escherichia coli BL21 (DE3) cells using FAM-SAVLQ/SG-QXL520 as substrate by FRET enzyme assay
50017927	1	ChEMBL_2254177 (CHEMBL5168387)	Antagonist activity at human EP4 receptor transfected in CHO/Galpha16 cells preincubated for 15 mins followed by PGE2 addition by calcium flux assay
50017927	2	ChEMBL_2254178 (CHEMBL5168388)	Antagonist activity at mouse EP4 receptor transfected in CHO/Galpha16 cells preincubated for 15 mins followed by PGE2 addition by calcium flux assay
50017927	3	ChEMBL_2254179 (CHEMBL5168389)	Antagonist activity at human EP1 receptor transfected in CHO/Galpha16 cells preincubated for 15 mins followed by PGE2 addition by calcium flux assay
50017927	4	ChEMBL_2254180 (CHEMBL5168390)	Antagonist activity at human EP2 receptor transfected in CHO/Galpha16 cells preincubated for 15 mins followed by PGE2 addition by calcium flux assay
50017927	5	ChEMBL_2254181 (CHEMBL5168391)	Antagonist activity at human EP3 receptor transfected in CHO/Galpha16 cells preincubated for 15 mins followed by PGE2 addition by calcium flux assay
50017927	6	ChEMBL_2254209 (CHEMBL5168419)	Inhibition of human ERG potassium channel transfected in HEK293 cells by whole-cell patch clamp assay
50017927	7	ChEMBL_2254211 (CHEMBL5168421)	Antagonist activity at human EP4 receptor overexpressed in HEK293 cells assessed as reduction in PGE2-mediated cAMP accumulation preincubated for 30 mins followed by PEG2 addition by GloSensor cAMP assay
50017927	8	ChEMBL_2254212 (CHEMBL5168422)	Antagonist activity at human EP4 receptor expressed in CHO cells coexpressing tTA-dependent luciferase reporter and beta arrestin 2-TEV assessed as reduction in beta-arrestin recruitment preincubated for 30 mins followed by PEG2 addition and measured after 12 hrs by Tango assay
50017929	1	ChEMBL_2254229 (CHEMBL5168439)	Inhibition of recombinant human NAMPT incubated for 60 mins by colorimetric assay
50017931	1	ChEMBL_2254284 (CHEMBL5168494)	Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins in presence of BETP by BETP sensitized time-resolved fluorescence assay
50017931	2	ChEMBL_2254285 (CHEMBL5168495)	Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins in absence of BETP by plate reader method
50017931	3	ChEMBL_2254287 (CHEMBL5168497)	Agonist activity at FAP-tagged human GLP-1R expressed in HEK293 cells assessed as receptor internalization
50017931	4	ChEMBL_2254288 (CHEMBL5168498)	Agonist activity at GLP-1R (unknown origin) expressed in candidate selection CHO cells assessed as cAMP accumulation incubated for 30 mins by plate reader method
50017931	5	ChEMBL_2254291 (CHEMBL5168501)	Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arrestin-2 cell assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins in presence of BETP by PathHunter assay
50017931	6	ChEMBL_2254293 (CHEMBL5168503)	Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arrestin-2 cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins in absence of BETP by PathHunter assay
50017931	7	ChEMBL_2254299 (CHEMBL5168509)	Inhibition of hERG ion channel by patch-clamp method
50017931	8	ChEMBL_2254300 (CHEMBL5168510)	Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arrestin-1 cell assessed as induction of beta-arrestin 1 recruitment incubated for 90 mins by pathHunter assay
50017931	9	ChEMBL_2254302 (CHEMBL5168512)	Agonist activity at human GLP-1R expressed in PathHunter CHO-K1 GLP1R beta-arrestin-2 cell assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by pathHunter assay
50017931	10	ChEMBL_2254305 (CHEMBL5168515)	Displacement of [125I]GLP-1 from FAP-tagged human GLP-1R expressed in CHO cells assessed as inhibition constant by radioligand binding assay
50017931	11	ChEMBL_2254306 (CHEMBL5168516)	Displacement of [3H]PF-06883365 from FAP-tagged human GLP-1R expressed in CHO cells assessed as inhibition constant by radioligand binding assay
50017931	12	ChEMBL_2254308 (CHEMBL5168518)	Activation of rat GLP-1R expressed in CHO cells assessed as increase in cAMP accumulation
50017931	13	ChEMBL_2254310 (CHEMBL5168520)	Activation of mouse GLP-1R expressed in CHO cells assessed as increase in cAMP accumulation
50017933	1	ChEMBL_2254352 (CHEMBL5168562)	Inhibition of N-terminal thioredoxin-His6 tagged human BCL6 BTB domain (5 to 129 residues) expressed in Escherichia coli BL21-AI incubated for 2 hrs by TR-FRET assay
50017933	2	ChEMBL_2254353 (CHEMBL5168563)	Degradation of BCL6 in human OCI-Ly1 cells incubated for 2 hrs by MSD assay
50017933	3	ChEMBL_2254363 (CHEMBL5168573)	Degradation of BCL6 in human KARPAS-422 cells by MSD assay
50017934	1	ChEMBL_2254398 (CHEMBL5168608)	Inhibition of PDE1C (147 to 531 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	2	ChEMBL_2254400 (CHEMBL5168610)	Inhibition of PDE4D2 (86 to 413 residues) (unknown origin) expressed in Escherichia coli BL21 [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	3	ChEMBL_2254401 (CHEMBL5168611)	Inhibition of PDE1A (142 to 552 residues) (unknown origin) expressed in Escherichia coli BL21 measured for 15 mins by liquid scintillation counter method
50017934	4	ChEMBL_2254402 (CHEMBL5168612)	Inhibition of PDE1B (10 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	5	ChEMBL_2254403 (CHEMBL5168613)	Inhibition of PDE2A (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	6	ChEMBL_2254404 (CHEMBL5168614)	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	7	ChEMBL_2254405 (CHEMBL5168615)	Inhibition of PDE4B2 (152 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 measured for 15 mins by liquid scintillation counter method
50017934	8	ChEMBL_2254406 (CHEMBL5168616)	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21 [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	9	ChEMBL_2254407 (CHEMBL5168617)	Inhibition of PDE7A1 (130-482 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	10	ChEMBL_2254408 (CHEMBL5168618)	Inhibition of PDE8A1 (480 to 820 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	11	ChEMBL_2254409 (CHEMBL5168619)	Inhibition of PDE9A2 (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	12	ChEMBL_2254410 (CHEMBL5168620)	Inhibition of PDE10A (449 to 770 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017934	13	ChEMBL_2254454 (CHEMBL5168664)	Inhibition of human alpha1c/beta2a/alpha2delta1 Cav1.2 expressed in HEK293 cells assessed as Ca2+ current at -80 mV holding potential by patch clamp technique
50017934	14	ChEMBL_2254458 (CHEMBL5168668)	Inhibition of CYP2C9 in human liver microsomes at 25 uM in the presence of NADPH
50017934	15	ChEMBL_2254459 (CHEMBL5168669)	Inhibition of CYP2C19 in human liver microsomes at 25 uM in the presence of NADPH
50017934	16	ChEMBL_2254460 (CHEMBL5168670)	Inhibition of hERG ion channel expressed in CHO cells by automated patch clamp electrophysiology method
50017934	17	ChEMBL_2254465 (CHEMBL5168675)	Inhibition of PDE4D (unknown origin) expressed in Escherichia coli BL21 [3H]-cAMP as substrate measured for 15 mins by liquid scintillation counter method
50017936	1	ChEMBL_2254472 (CHEMBL5168682)	Inhibition of CYP2D6 in human liver microsomes at 0.01 to 30 uM using dextromethorphan as substrate in presence of NADPH by UPLC-MS/MS analysis
50017936	2	ChEMBL_2254473 (CHEMBL5168683)	Inhibition of CYP2C19 in human liver microsomes at 0.01 to 30 uM using mephenytoin as substrate in presence of NADPH by UPLC-MS/MS analysis
50017936	3	ChEMBL_2254475 (CHEMBL5168685)	Inhibition of recombinant AKT1 (104 to 480 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay
50017936	4	ChEMBL_2254476 (CHEMBL5168686)	Inhibition of recombinant AKT2 (120 to 481 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay
50017936	5	ChEMBL_2254477 (CHEMBL5168687)	Inhibition of recombinant N-terminal GST tagged AKT2 (108 to 479 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated for 1 hr in presence of ATP by caliper off-chip mobility shift assay
50017936	6	ChEMBL_2254482 (CHEMBL5168692)	Inhibition of CYP1A2 in human liver microsomes at 0.01 to 30 uM using phenacetin as substrate in presence of NADPH by UPLC-MS/MS analysis
50017936	7	ChEMBL_2254483 (CHEMBL5168693)	Inhibition of CYP2C9 in human liver microsomes at 0.01 to 30 uM using diclofenac as substrate in presence of NADPH by UPLC-MS/MS analysis
50017936	8	ChEMBL_2254484 (CHEMBL5168694)	Inhibition of CYP3A4 in human liver microsomes at 0.01 to 30 uM using phenacetin as substrate in presence of NADPH by UPLC-MS/MS analysis
50017940	1	ChEMBL_2254581 (CHEMBL5168791)	Binding affinity to recombinant N-terminal His6-tagged human KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence anisotropy assay
50017940	2	ChEMBL_2254582 (CHEMBL5168792)	Inhibition of recombinant N-terminal His6-tagged human Keap1-Nrf2 (322 to 609 residues) (unknown origin) protein-protein interaction expressed in Escherichia coli (DE3) incubated for 60 mins by fluorescence anisotropy assay
50017942	1	ChEMBL_2254619 (CHEMBL5168829)	Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as a substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluroscence based assay
50017942	2	ChEMBL_2254620 (CHEMBL5168830)	Inhibition of recombinant human MMP12 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	3	ChEMBL_2254621 (CHEMBL5168831)	Inhibition of recombinant human MMP13 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	4	ChEMBL_2254632 (CHEMBL5168842)	Inhibition of recombinant human MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	5	ChEMBL_2254633 (CHEMBL5168843)	Inhibition of recombinant human MMP3 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	6	ChEMBL_2254634 (CHEMBL5168844)	Inhibition of recombinant human MMP7 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	7	ChEMBL_2254635 (CHEMBL5168845)	Inhibition of recombinant human MMP8 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	8	ChEMBL_2254636 (CHEMBL5168846)	Inhibition of recombinant human MMP9 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	9	ChEMBL_2254637 (CHEMBL5168847)	Inhibition of recombinant human MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 15 mins followed by substrate addition by fluroscence based assay
50017942	10	ChEMBL_2254643 (CHEMBL5168853)	Inhibition of human ERG expressed in CHO cells by Qpatch-clamp method
50017943	1	ChEMBL_2254786 (CHEMBL5168996)	Binding affinity to alpha1D receptor (unknown origin) by radioligand displacement assay
50017943	2	ChEMBL_2254787 (CHEMBL5168997)	Binding affinity to alpha2C receptor (unknown origin) by radioligand displacement assay
50017943	3	ChEMBL_2254788 (CHEMBL5168998)	Binding affinity to DAT receptor (unknown origin) by radioligand displacement assay
50017943	4	ChEMBL_2254789 (CHEMBL5168999)	Binding affinity to H1 receptor (unknown origin) by radioligand displacement assay
50017943	5	ChEMBL_2254790 (CHEMBL5169000)	Binding affinity to sigma2 receptor (unknown origin) by radioligand displacement assay
50017944	1	ChEMBL_2254793 (CHEMBL5169003)	Binding affinity to NLuc-tagged human H1R expressed in HEK293T cells using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay
50017944	2	ChEMBL_2254794 (CHEMBL5169004)	Displacement of [3H]mepyramine from human H1R expressed in HEK293T cells by radioligand competition binding assay
50017944	3	ChEMBL_2254796 (CHEMBL5169006)	Displacement of fluorophore-labeled mepyramine from Nluc-tagged human H1R expressed in HEK293T cells incubated for 2 hrs by NanoBRET competition binding assay
50017944	4	ChEMBL_2254798 (CHEMBL5169008)	Binding affinity to NLuc-tagged human H3R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay
50017944	5	ChEMBL_2254799 (CHEMBL5169009)	Binding affinity to NLuc-tagged human H4R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay
50017944	6	ChEMBL_2254811 (CHEMBL5169021)	Binding affinity to NLuc-tagged human H1R expressed in HEK293T cells incubated for 1 hr using furimazine as substrate measured after 5 mins by NanoBRET binding assay
50017944	7	ChEMBL_2254812 (CHEMBL5169022)	Displacement of [3H]mepyramine from human H1R expressed in HEK293T cell homogenates incubated for 1 hr by radioligand binding assay based liquid scintillation counter
50017946	1	ChEMBL_2260007 (CHEMBL5215018)	Binding affinity to NMDA receptor (unknown origin)
50017946	2	ChEMBL_2260008 (CHEMBL5215019)	Binding affinity to human CXCR1 assessed as dissociation constant incubated for 6 to 24 hrs by radioligand binding assay
50017946	3	ChEMBL_2260009 (CHEMBL5215020)	Binding affinity to human CXCR2 assessed as dissociation constant incubated for 6 to 24 hrs by radioligand binding assay
50017946	4	ChEMBL_2260010 (CHEMBL5215021)	Inhibition of human CXCR1
50017946	5	ChEMBL_2260011 (CHEMBL5215022)	Inhibition of human CXCR2-mediated chemotaxis expressed in mouse BaF3 cells
50017946	6	ChEMBL_2260014 (CHEMBL5215025)	Inhibition of Angiotensin 2 binding to Angiotensin 2 receptor (unknown origin)
50017946	7	ChEMBL_2260017 (CHEMBL5215028)	Binding affinity to TCP-stimulated NMDA (unknown origin)
50017946	8	ChEMBL_2260018 (CHEMBL5215029)	Antagonist activity at human alphaVbeta3 Integrin assessed as inhibition constant
50017946	9	ChEMBL_2260019 (CHEMBL5215030)	Inhibition of human AchE by spectrophotometric analysis
50017946	10	ChEMBL_2260020 (CHEMBL5215031)	Inhibition of human BchE by spectrophotometric analysis
50017946	11	ChEMBL_2260021 (CHEMBL5215032)	Inhibition of MMP-1 (unknown origin) using DnpPro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 as substrate by fluorescence spectroscopy
50017948	1	ChEMBL_2260022 (CHEMBL5215033)	Inhibition of ATG4B (unknown origin) using FRETGATE-16 as substrate incubated for 30 mins by FRET assay
50017948	2	ChEMBL_2260023 (CHEMBL5215034)	Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21 using LC3B-PLA2 as substrate incubated for 30 to 60 mins by High-throughput screening assay
50017948	3	ChEMBL_2260024 (CHEMBL5215035)	Inhibition of ATG4B in human SAOS-2 cells using GFP-LC3B as substrate incubated for 6 hrs by by fluorescence microscopy
50017948	4	ChEMBL_2260025 (CHEMBL5215036)	Inhibition of ATG4B (unknown origin) using proLC3B as substrate by FRET-LC3 assay
50017948	5	ChEMBL_2260026 (CHEMBL5215037)	Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate incubated for 30 mins by Fluorimetric assay
50017948	6	ChEMBL_2260027 (CHEMBL5215038)	Inhibition of ATG4B (unknown origin) by FRET assay
50017948	7	ChEMBL_2260028 (CHEMBL5215039)	Inhibition of ATG4B (unknown origin) using FRET-GABARAPL2 as peptide incubated for 30 mins by FRET assay
50017948	8	ChEMBL_2260029 (CHEMBL5215040)	Inhibition of ATG4A (unknown origin)
50017948	9	ChEMBL_2260030 (CHEMBL5215041)	Inhibition of ATG4B (unknown origin)
50017951	1	ChEMBL_2260033 (CHEMBL5215044)	Inhibition of HDAC6 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorometric drug discovery assay kit method
50017951	2	ChEMBL_2260034 (CHEMBL5215045)	Inhibition of HDAC-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) in HeLa nuclear extract using KI177 as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by Bradford reagent method
50017951	3	ChEMBL_2260035 (CHEMBL5215046)	Inhibition of HDAC-6 (unknown origin) expressed in Escherichia coli BL21 (DE3) in HeLa nuclear extract using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by Bradford reagent method
50017951	4	ChEMBL_2260044 (CHEMBL5215055)	Agonist activity at Vitamin D receptor (unknown origin) by fluorescence polarization assay
50017951	5	ChEMBL_2260045 (CHEMBL5215056)	Inhibition of human recombinant HDAC1 using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate incubated for 24 hrs by EnVision multilabel plate reader method
50017951	6	ChEMBL_2260048 (CHEMBL5215059)	Inhibition of HDAC1 (unknown origin)
50017951	7	ChEMBL_2260049 (CHEMBL5215060)	Inhibition of HDAC6 (unknown origin)
50017951	8	ChEMBL_2260050 (CHEMBL5215061)	Inhibition of Abl (unknown origin)
50017951	9	ChEMBL_2260051 (CHEMBL5215062)	Inhibition of Abl T3151 (unknown origin)
50017951	10	ChEMBL_2260058 (CHEMBL5215069)	Inhibition of human recombinant GST-tagged CK-2 using RRRADDSDDDDD as substrate incubated for 5 mins by scintillation counter analysis
50017951	11	ChEMBL_2260059 (CHEMBL5215070)	Inhibition of HDAC1 (unknown origin) using fluorogenic substrate incubated for 30 mins by fluorometric drug discovery assay kit method
50017951	12	ChEMBL_2260066 (CHEMBL5215077)	Inhibition of human recombinant HDAC1 (unknown origin) using MAZ1600 as substrate preincubated for 3 hrs followed by substrate addition by multilabel plate reader method
50017951	13	ChEMBL_2260067 (CHEMBL5215078)	Inhibition of N-terminal GST tagged LSD1 (residues 171 - 852) (unknown origin) overexpressed in Escherichia coli using ARTK(Me)2QTARKSTGGKAPRKQLAas substrate incubated for 20 mins by spectrophotometric analysis
50017951	14	ChEMBL_2260069 (CHEMBL5215080)	Inhibition of HDAC6 (unknown origin) by multilabel plate reader analysis
50017951	15	ChEMBL_2260070 (CHEMBL5215081)	Inhibition of HDAC8 (unknown origin) by multilabel plate reader analysis
50017951	16	ChEMBL_2260071 (CHEMBL5215082)	Inhibition of PDE5 (unknown origin) incubated for 1.5 hrs by IMAP fluorescence polarization phosphodiesterase evaluation assay
50017951	17	ChEMBL_2260072 (CHEMBL5215083)	Inhibition of HDAC (unknown origin) by H4 Hybrid Multi-Mode Microplate Reade
50017951	18	ChEMBL_2260073 (CHEMBL5215084)	Inhibition of human HDAC1 incubated for 30 mins by SpectraMax M2 microplate reader analysis
50017951	19	ChEMBL_2260074 (CHEMBL5215085)	Inhibition of human HDAC2 incubated for 30 mins by SpectraMax M2 microplate reader analysis
50017951	20	ChEMBL_2260075 (CHEMBL5215086)	Inhibition of human HDAC6 incubated for 30 mins by SpectraMax M2 microplate reader analysis
50017951	21	ChEMBL_2260082 (CHEMBL5215093)	Inhibition of HDAC (unknown origin)
50017951	22	ChEMBL_2260083 (CHEMBL5215094)	Inhibition of EGFR (unknown origin)
50017951	23	ChEMBL_2260084 (CHEMBL5215095)	Inhibition of HER2 (unknown origin)
50017951	24	ChEMBL_2260085 (CHEMBL5215096)	Inhibition of HDAC1 in human HeLa cell nuclear extract using Bos-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition incubated for 30 mins
50017951	25	ChEMBL_2260086 (CHEMBL5215097)	Inhibition of EGFR wildtype (unknown origin) incubated for 40 mins in presence of ATP
50017951	26	ChEMBL_2260087 (CHEMBL5215098)	Inhibition of EGFR T790M (unknown origin) incubated for 40 mins in presence of ATP
50017951	27	ChEMBL_2260089 (CHEMBL5215100)	Inhibition of VEGFR2 (unknown origin)
50017951	28	ChEMBL_2260090 (CHEMBL5215101)	Inhibition of Bcr-Abl (unknown origin)
50017951	29	ChEMBL_2260096 (CHEMBL5215107)	Inhibition of HDAC3 (unknown origin)
50017951	30	ChEMBL_2260097 (CHEMBL5215108)	Inhibition of HDAC10 (unknown origin)
50017951	31	ChEMBL_2260098 (CHEMBL5215109)	Inhibition of Cdk4 (unknown origin)
50017951	32	ChEMBL_2260099 (CHEMBL5215110)	Inhibition of Cdk6 (unknown origin)
50017951	33	ChEMBL_2260100 (CHEMBL5215111)	Inhibition of BRAF V600E mutant (unknown origin)
50017951	34	ChEMBL_2260101 (CHEMBL5215112)	Inhibition of PI3Kalpha (unknown origin)
50017951	35	ChEMBL_2260102 (CHEMBL5215113)	Inhibition of PI3Kbeta (unknown origin)
50017951	36	ChEMBL_2260103 (CHEMBL5215114)	Inhibition of PI3Kdelta (unknown origin)
50017951	37	ChEMBL_2260104 (CHEMBL5215115)	Inhibition of PI3Kgamma (unknown origin)
50017951	38	ChEMBL_2260105 (CHEMBL5215116)	Inhibition of HDAC2 (unknown origin)
50017951	39	ChEMBL_2260106 (CHEMBL5215117)	Inhibition of HDAC8 (unknown origin)
50017951	40	ChEMBL_2260107 (CHEMBL5215118)	Inhibition of HDAC4 (unknown origin)
50017951	41	ChEMBL_2260108 (CHEMBL5215119)	Inhibition of HDAC11 (unknown origin)
50017951	42	ChEMBL_2260109 (CHEMBL5215120)	Inhibition of HDAC5 (unknown origin)
50017951	43	ChEMBL_2260111 (CHEMBL5215122)	Inhibition of EZH2 (unknown origin)
50017952	1	ChEMBL_2260118 (CHEMBL5215129)	Agonist activity at human MT1R stably expressed in HEK293 cells by FlexStation3 Bench-top MultiMode Microplate Reader
50017952	2	ChEMBL_2260119 (CHEMBL5215130)	Agonist activity at human MT2R stably expressed in HEK293 cells by FlexStation3 Bench-top MultiMode Microplate Reader
50017952	3	ChEMBL_2260120 (CHEMBL5215131)	Inhibition of AChE (unknown origin) using acetylcholine as substrate by BioTek Synergy HT microplate reader method
50017952	4	ChEMBL_2260121 (CHEMBL5215132)	Inhibition of AChE (unknown origin) incubated for 20 mins by Ellman's method
50017954	1	ChEMBL_2260137 (CHEMBL5215148)	Binding affinity to N-terminal His-tagged recombinant human Tau40 expressed in Escherichia coli Rosetta (DE3) assessed as dissociation constant incubated for 0.5 hrs by fluorescence polarization assay
50017955	1	ChEMBL_2260148 (CHEMBL5215159)	Inhibition of Mycobacterium tuberculosis InhA using octenoyl-CoA as substrate in presence of NADH and measured for 10 mins by colorimetric assay
50017957	1	ChEMBL_2260188 (CHEMBL5215199)	Inhibition of human wild type GST-tagged EGFR expressed in Sf9 cells assessed as substrate phosphorylation using TK-peptide as substrate incubated for 25 mins by HTRF assay
50017957	2	ChEMBL_2260189 (CHEMBL5215200)	Inhibition of human GST-tagged EGFR L858R/T790M mutant expressed in Sf9 insect cells using ATP as substrate by HTRF assay
50017957	3	ChEMBL_2260190 (CHEMBL5215201)	Inhibition of human wild type EGFR expressed in Sf9 insect cells using ATP as substrate by HTRF assay
50017957	4	ChEMBL_2260196 (CHEMBL5215207)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50017957	5	ChEMBL_2260199 (CHEMBL5215210)	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50017957	6	ChEMBL_2260200 (CHEMBL5215211)	Inhibition of wild type EGFR (unknown origin)
50017957	7	ChEMBL_2260201 (CHEMBL5215212)	Inhibition of human EGFR del19/T790M/C797S mutant assessed as enzyme remaining activity using poly-Glu-Tyr peptide substrate incubated for 2 hrs in presence of [gamma-33P]ATP by radiometric kinase assay
50017957	8	ChEMBL_2260202 (CHEMBL5215213)	Inhibition of human wild type EGFR assessed as enzyme remaining activity using poly-Glu-Tyr peptide substrate incubated for 2 hrs in presence of [gamma-33P]ATP by radiometric kinase assay
50017957	9	ChEMBL_2260203 (CHEMBL5215214)	Inhibition of human GST-tagged EGFR L858R/T790M mutant expressed in Sf9 cells assessed as substrate phosphorylation using TK-peptide as substrate incubated for 20 mins by HTRF assay
50017957	10	ChEMBL_2260204 (CHEMBL5215215)	Inhibition of human GST-tagged EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as substrate phosphorylation using TK-peptide as substrate incubated for 10 mins by HTRF assay
50017957	11	ChEMBL_2260205 (CHEMBL5215216)	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISA
50017957	12	ChEMBL_2260208 (CHEMBL5215219)	Inhibition of human wild type EGFR using ATP-labelled peptide substrate by HTRF assay
50017957	13	ChEMBL_2260209 (CHEMBL5215220)	Inhibition of human EGFR del19/T790M/C797S mutant using ATP-labelled peptide substrate by HTRF assay
50017957	14	ChEMBL_2260210 (CHEMBL5215221)	Inhibition of EGFR del19/T790M/C797S triple mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells by fluorescence based microplate reader analysis
50017960	1	ChEMBL_2260216 (CHEMBL5215227)	Inhibition of EGFR (unknown origin)
50017960	2	ChEMBL_2260218 (CHEMBL5215229)	Antagonist activity at Adrenergic alpha-1 receptor (unknown origin)
50017960	3	ChEMBL_2260219 (CHEMBL5215230)	Inhibition of Plasmodium falciparum 3D7 Prolyl-tRNA synthetase
50017960	4	ChEMBL_2260220 (CHEMBL5215231)	Inhibition of Trypanosoma cruzi Sterol 14-alpha demethylase
50017960	5	ChEMBL_2260221 (CHEMBL5215232)	Antagonist activity at 5-HT2A (unknown origin) assessed as inhibition constant
50017960	6	ChEMBL_2260222 (CHEMBL5215233)	Inhibition of DHFR (unknown origin) assessed as inhibition constant
50017960	7	ChEMBL_2260224 (CHEMBL5215235)	Inhibition of DPP4 (unknown origin)
50017960	8	ChEMBL_2260225 (CHEMBL5215236)	Inhibition of HER2 (unknown origin)
50017960	9	ChEMBL_2260226 (CHEMBL5215237)	Inhibition of DHFR (unknown origin)
50017960	10	ChEMBL_2260227 (CHEMBL5215238)	Inhibition of Thymidylate synthase (unknown origin)
50017960	11	ChEMBL_2260228 (CHEMBL5215239)	Antagonist activity at Adrenergic alpha-1 receptor in human Prostate cell in presence of (125I)-Heat by Competitive binding assay
50017960	12	ChEMBL_2260230 (CHEMBL5215241)	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assay
50017960	13	ChEMBL_2260231 (CHEMBL5215242)	Inhibition of VEGFR-2 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by caliper mobility shift assay
50017960	14	ChEMBL_2260232 (CHEMBL5215243)	Inhibition of VEGFR-2 (unknown origin) using poly(Glu:Tyr)(4:1) and ATP as substrate by incubated for 1 hr by spectrophotometric based ELISA
50017960	15	ChEMBL_2260234 (CHEMBL5215245)	Inhibition of human Aurora A kinase
50017960	16	ChEMBL_2260235 (CHEMBL5215246)	Inhibition of human Aurora B kinase
50017960	17	ChEMBL_2260236 (CHEMBL5215247)	Inhibition of Aurora B kinase (unknown origin)
50017960	18	ChEMBL_2260237 (CHEMBL5215248)	Inhibition of GST-tagged FLT-3 (unknown origin) (Tyr567-Ser993 residues) expressed in baculovirus infected Sf9 insect cells using GGMEDIYFEFMGGKKK as peptide substrate incubated for 4 hrs in presence of ATP by Kinase-Glo assay
50017960	19	ChEMBL_2260238 (CHEMBL5215249)	Inhibition of recombinant GST Aurora A kinase (unknown origin) expressed in Sf9 insect cells incubated for 90 mins in presence of ATP
50017960	20	ChEMBL_2260241 (CHEMBL5215252)	Inhibition of CDK2 (unknown origin)
50017960	21	ChEMBL_2260242 (CHEMBL5215253)	Inhibition of PI3Kgamma (unknown origin)
50017960	22	ChEMBL_2260243 (CHEMBL5215254)	Inhibition of PI3Kalpha (unknown origin)
50017960	23	ChEMBL_2260244 (CHEMBL5215255)	Inhibition of HDAC (unknown origin)
50017960	24	ChEMBL_2260250 (CHEMBL5215261)	Inhibition of PARP-1 (unknown origin)
50017960	25	ChEMBL_2260251 (CHEMBL5215262)	Inhibition of PARP-2 (unknown origin)
50017961	1	ChEMBL_2260260 (CHEMBL5215271)	Agonist activity at human GLP-1R expressed in HEK293 cells incubated for 30 mins and assessed as increase in cAMP accumulation measured by HTRF assay
50017961	2	ChEMBL_2260262 (CHEMBL5215273)	Agonist activity at human GCGR expressed in HEK293 cells incubated for 30 mins and assessed as increase in cAMP accumulation measured by HTRF assay
50017963	1	ChEMBL_2260352 (CHEMBL5215363)	Inhibition of human recombinant His-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) incubated for 30 mins by HPLC analysis
50017963	2	ChEMBL_2260353 (CHEMBL5215364)	Inhibition of human 11beta-HSD1 expressed in HEK-293 cells incubated for 10 mins
50017963	3	ChEMBL_2260355 (CHEMBL5215366)	Inhibition of AXL (unknown origin) by biochemical assay
50017964	1	ChEMBL_2260412 (CHEMBL5215423)	Inhibition of hERG by fluorescence polarization assay
50017965	1	ChEMBL_2260451 (CHEMBL5215462)	Agonist activity at PAC1R in human SH-SY5Y cells assessed as cAMP accumulation incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017965	2	ChEMBL_2260452 (CHEMBL5215463)	Agonist activity at VPAC1 in human SH-SY5Y cells assessed as cAMP accumulation incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017965	3	ChEMBL_2260453 (CHEMBL5215464)	Agonist activity at VPAC2 in human SH-SY5Y cells assessed as cAMP accumulation incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017965	4	ChEMBL_2260454 (CHEMBL5215465)	Antagonist activity at PAC1R in human SH-SY5Y cells assessed as inhibition of PACAP38-induced cAMP accumulation pre-incubated for 30 mins followed by agonist addition and measured after 75 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017965	5	ChEMBL_2260455 (CHEMBL5215466)	Antagonist activity at VPAC1 in human SH-SY5Y cells assessed as inhibition of PACAP38-induced cAMP accumulation pre-incubated for 30 mins followed by agonist addition and measured after 75 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017965	6	ChEMBL_2260456 (CHEMBL5215467)	Antagonist activity at VPAC2 in human SH-SY5Y cells assessed as inhibition of PACAP38-induced cAMP accumulation pre-incubated for 30 mins followed by agonist addition and measured after 75 mins by Eu-cAMP tracer based LANCE ultra cAMP assay
50017966	1	ChEMBL_2260538 (CHEMBL5215549)	Inhibition of recombinant human HDAC1 using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by modified FLUOR DE LYS assay
50017966	2	ChEMBL_2260539 (CHEMBL5215550)	Inhibition of human full length FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 cells using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by modified FLUOR DE LYS assay
50017966	3	ChEMBL_2260540 (CHEMBL5215551)	Inhibition of human full length FLAG-tagged HDAC3 expressed in HEK293F cells using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by modified FLUOR DE LYS assay
50017966	4	ChEMBL_2260541 (CHEMBL5215552)	Inhibition of HDAC6 (unknown origin) using BML-KI104 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by modified FLUOR DE LYS assay
50017966	5	ChEMBL_2260542 (CHEMBL5215553)	Inhibition of HDAC8 (unknown origin) using BML-KI178 as substrate preincubated for 3 hrs followed by substrate addition measured after 60 mins by modified FLUOR DE LYS assay
50017966	6	ChEMBL_2260545 (CHEMBL5215556)	Inhibition of human ERG
50017967	1	ChEMBL_2260657 (CHEMBL5215668)	Inhibition of human recombinant integrin alphavbeta6 incubated for 1 hr by ELISA assay
50017967	2	ChEMBL_2260659 (CHEMBL5215670)	Inhibition of human recombinant integrin alphavbeta3 incubated for 1 hr by ELISA assay
50017967	3	ChEMBL_2260660 (CHEMBL5215671)	Inhibition of human recombinant integrin alpha5beta1 incubated for 1 hr by ELISA assay
50017968	1	ChEMBL_2260671 (CHEMBL5215682)	Inhibition of FIH (unknown origin) assessed as hydroxylation of HIF1alphaCAD by MALDI-TOF-MS analysis
50017968	2	ChEMBL_2260672 (CHEMBL5215683)	Inhibition of N-terminal His tagged PHD2 (181 to 426 residues) (unknown origin) measured by MALDI-TOF MS analysis
50017968	3	ChEMBL_2260673 (CHEMBL5215684)	Inhibition of FIH (unknown origin) by solid-phase extraction coupled to MS based assay
50017969	1	ChEMBL_2260674 (CHEMBL5215685)	Binding affinity to MDM2 (unknown origin) assessed as dissociation constant
50017969	2	ChEMBL_2260675 (CHEMBL5215686)	Inhibition of YAP binding to human TEAD4 by fluorescence polarization assay
50017969	3	ChEMBL_2260677 (CHEMBL5215688)	Inhibition of p300 (unknown origin) using [3H]-Ac-CoA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by Flashplate assay
50017969	4	ChEMBL_2260678 (CHEMBL5215689)	Binding affinity to recombinant human BRD3 bromodomain-1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant by fluorescence polarization assay
50017973	1	ChEMBL_2260703 (CHEMBL5215714)	Inhibition of human IDO1
50017973	2	ChEMBL_2260704 (CHEMBL5215715)	Inhibition of human TDO
50017973	3	ChEMBL_2260705 (CHEMBL5215716)	Binding affinity to human IDO1 assessed as inhibition constant
50017973	4	ChEMBL_2260706 (CHEMBL5215717)	Inhibition of human IDO1 by Cornhish-Bowden method
50017973	5	ChEMBL_2260707 (CHEMBL5215718)	Inhibition of human TDO by Cornhish-Bowden method
50017973	6	ChEMBL_2260708 (CHEMBL5215719)	Binding affinity to human IDO1 assessed as inhibition constant by Cornhish-Bowden method
50017973	7	ChEMBL_2260709 (CHEMBL5215720)	Binding affinity to human TDO assessed as inhibition constant by Cornhish-Bowden method
50017973	8	ChEMBL_2260710 (CHEMBL5215721)	Inhibition of human IDO1 (12 to 403 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysis
50017973	9	ChEMBL_2260711 (CHEMBL5215722)	Inhibition of human TDO (19 to 388 aa) expressed in Escherichia coli Transetta (DE3) by nanodrop 2000c spectrophotometric analysis
50017973	10	ChEMBL_2260712 (CHEMBL5215723)	Inhibition of IDO1 in IFN-gamma induced overexpressing human HeLa cells
50017973	11	ChEMBL_2260713 (CHEMBL5215724)	Inhibition of TDO in overexpressing human SW48 cells
50017973	12	ChEMBL_2260714 (CHEMBL5215725)	Inhibition of TDO in overexpressing human A-172 cells
50017973	13	ChEMBL_2260778 (CHEMBL5215789)	Inhibition of human liver microsome CYP2C9 using 4'-hydroxy diclofenac as substrate incubated for 10 mins by LC/MS/MS analysis
50017974	1	ChEMBL_2260833 (CHEMBL5215844)	Inhibition of rat alpha3beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	2	ChEMBL_2260835 (CHEMBL5215846)	Inhibition of human alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	3	ChEMBL_2260837 (CHEMBL5215848)	Inhibition of rat alpha9alpha10 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response incubated for 5 mins in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	4	ChEMBL_2260838 (CHEMBL5215849)	Inhibition of human alpha9alpha10 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	5	ChEMBL_2260839 (CHEMBL5215850)	Inhibition of rat alpha2beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	6	ChEMBL_2260840 (CHEMBL5215851)	Inhibition of human alpha2beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	7	ChEMBL_2260841 (CHEMBL5215852)	Inhibition of rat alpha2beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	8	ChEMBL_2260842 (CHEMBL5215853)	Inhibition of human alpha3beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	9	ChEMBL_2260843 (CHEMBL5215854)	Inhibition of human alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	10	ChEMBL_2260844 (CHEMBL5215855)	Inhibition of rat alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	11	ChEMBL_2260845 (CHEMBL5215856)	Inhibition of human alpha4beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	12	ChEMBL_2260846 (CHEMBL5215857)	Inhibition of rat alpha4beta2 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	13	ChEMBL_2260847 (CHEMBL5215858)	Inhibition of human alpha4beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	14	ChEMBL_2260848 (CHEMBL5215859)	Inhibition of rat alpha4beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	15	ChEMBL_2260849 (CHEMBL5215860)	Inhibition of human alpha6/alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	16	ChEMBL_2260850 (CHEMBL5215861)	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	17	ChEMBL_2260853 (CHEMBL5215864)	Inhibition of human alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017974	18	ChEMBL_2260854 (CHEMBL5215865)	Inhibition of rat alpha7 nAChR expressed in xenopus oocytes assessed as inhibition of Ach- induced response at -70 mV holding potential and measured for 1 to 5 days in presence of Ach stimulation by voltage-clamp based electrophysiological method
50017977	1	ChEMBL_2260966 (CHEMBL5215977)	Binding affinity to 5-HT7R (unknown origin) assessed as inhibition constant
50017977	2	ChEMBL_2260967 (CHEMBL5215978)	Binding affinity to human 5-HT1A assessed as inhibition constant
50017977	3	ChEMBL_2260968 (CHEMBL5215979)	Binding affinity to human 5-HT3R assessed as inhibition constant
50017977	4	ChEMBL_2260969 (CHEMBL5215980)	Binding affinity to human SERT assessed as inhibition constant
50017977	5	ChEMBL_2260970 (CHEMBL5215981)	Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant
50017977	6	ChEMBL_2260971 (CHEMBL5215982)	Binding affinity to D2R (unknown origin) assessed as inhibition constant
50017977	7	ChEMBL_2260972 (CHEMBL5215983)	Binding affinity to human 5-HT7R assessed as inhibition constant
50017977	8	ChEMBL_2260973 (CHEMBL5215984)	Binding affinity to 5-HT1A (unknown origin) assessed as inhibition constant
50017977	9	ChEMBL_2260974 (CHEMBL5215985)	Binding affinity to alpha2C AR (unknown origin) assessed as inhibition constant
50017977	10	ChEMBL_2260975 (CHEMBL5215986)	Displacement of [3H]N-methyl-spiperone from D2R (unknown origin) assessed as inhibition constant by competition binding assay
50017977	11	ChEMBL_2260976 (CHEMBL5215987)	Displacement of [3H]N-methyl-spiperone from D3R (unknown origin) assessed as inhibition constant by competition binding assay
50017977	12	ChEMBL_2260977 (CHEMBL5215988)	Displacement of [3H]LSD from 5-HT7R (unknown origin) assessed as inhibition constant by competition binding assay
50017977	13	ChEMBL_2260979 (CHEMBL5215990)	Binding affinity to 5-HT6R (unknown origin) assessed as inhibition constant
50017977	14	ChEMBL_2260980 (CHEMBL5215991)	Displacement of [3H] LSD from recombinant human 5-HT6R expressed in HEK293 cells assessed as inhibition constant
50017977	15	ChEMBL_2260981 (CHEMBL5215992)	Displacement of [3H] LSD from human 5-HT6R expressed in HEK293 cell membrane assessed as inhibition constant by competition binding assay
50017977	16	ChEMBL_2260982 (CHEMBL5215993)	Displacement of [3H] LSD from 5-HT6R in human HeLa cells assessed as inhibition constant incubated for 120 mins in presence of methiothepin by scintillation counting method
50017977	17	ChEMBL_2260983 (CHEMBL5215994)	Displacement of [3H] LSD from 5-HT6R in HEK293 cells assessed as inhibition constant incubated for 1 hr in presence of haloperidol by microbeta plate reader analysis
50017977	18	ChEMBL_2260984 (CHEMBL5215995)	Displacement of [125I]cAMP-tracer from 5-HT6R in human HeLa cells assessed as measuring cAMP level incubated for 15 mins by radioimmunoassay
50017977	19	ChEMBL_2260985 (CHEMBL5215996)	Displacement of LSD from recombinant human 5-HT6R assessed as inhibition constant
50017977	20	ChEMBL_2260986 (CHEMBL5215997)	Displacement of [3H]LSD from 5-HT6R (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50017978	1	ChEMBL_2261025 (CHEMBL5216036)	Inhibition of recombinant Trypanosoma cruzi Cruzipain (104 to 212 residues) expressed in baculovirus expression system using Z-Phe-Arg-AMC as substrate preincubated for 15 mins followed by substrate addition by spectrofluorometry analysis
50017979	1	ChEMBL_2261029 (CHEMBL5216040)	Inhibition of MCT1 in rat RBE4 cells assessed as reduction in [14C]lactate uptake measured after 15 mins by liquid scintillation counting analysis
50017979	2	ChEMBL_2261030 (CHEMBL5216041)	Inhibition of MCT1 in rat erythrocytes
50017979	3	ChEMBL_2261031 (CHEMBL5216042)	Inhibition of MCT4 in human NCI-H358 cells
50017979	4	ChEMBL_2261032 (CHEMBL5216043)	Inhibition of MCT4 in human MDA-MB-231 cells
50017979	5	ChEMBL_2261037 (CHEMBL5216048)	Inhibition of LAT1 in human MCF7 cells assessed as inhibition of leucine uptake
50017979	6	ChEMBL_2261039 (CHEMBL5216050)	Competitive inhibition of human LAT1 expressed in HEK293 cells assessed as inhibition of L-[14C]-Leucine uptake by Lineweaver-Burk plot analysis
50017980	1	ChEMBL_2261064 (CHEMBL5216075)	Inhibition of recombinant human ACE using Mca-RPGFSAFK (Dnp)- OH as substrate by fluorescence plate reader assay
50017980	2	ChEMBL_2261065 (CHEMBL5216076)	Inhibition of recombinant human ACE2 using 7-Mca-YVADAPK (Dnp) as substrate by fluorescence plate reader assay
50017980	3	ChEMBL_2261068 (CHEMBL5216079)	Inhibition of recombinant human ACE2 using fluorogenic peptide substrate VI measured every 36 sec for 10 mins by fluorescence reader analysis
50017980	4	ChEMBL_2261069 (CHEMBL5216080)	Inhibition of TMPRSS2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using H-D cyclohexylalanine-Pro-Arg-AM as substrate by Dixon method
50017982	1	ChEMBL_2261079 (CHEMBL5216090)	Inhibition of human KDM6B preincubated for 15 mins followed by substrate addition and measured after 5 mins using H3(21-44)K27Me3-GK-biotin peptide as substrate by AlphaScreen-based assay
50017982	2	ChEMBL_2261080 (CHEMBL5216091)	Inhibition of KDM5C (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	3	ChEMBL_2261081 (CHEMBL5216092)	Inhibition of KDM4E (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	4	ChEMBL_2261082 (CHEMBL5216093)	Inhibition of KDM4D (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	5	ChEMBL_2261083 (CHEMBL5216094)	Inhibition of KDM4C (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	6	ChEMBL_2261084 (CHEMBL5216095)	Inhibition of KDM4B (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	7	ChEMBL_2261085 (CHEMBL5216096)	Inhibition of KDM2A (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	8	ChEMBL_2261086 (CHEMBL5216097)	Inhibition of KDM3A (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	9	ChEMBL_2261087 (CHEMBL5216098)	Inhibition of KDM4A (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	10	ChEMBL_2261088 (CHEMBL5216099)	Inhibition of KDM6A (unknown origin) expressed in Escherichia coli using Biotin-H3(14-34)K27me3 peptide and measured after 1 hrs by alpha screen assay
50017982	11	ChEMBL_2261089 (CHEMBL5216100)	Inhibition of KDM6B (unknown origin) expressed in Escherichia coli and measured after 1 hrs by alpha screen assay
50017982	12	ChEMBL_2261090 (CHEMBL5216101)	Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO demethylation activity expressed in Escherichia coli BL21 (DE3) incubated for 1 hrs using m3T nucleoside as substrate by LCMS-based assay
50017982	13	ChEMBL_2261091 (CHEMBL5216102)	Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO demethylation activity expressed in Escherichia coli BL21 (DE3) incubated for 30 mins using 5-mer ssRNA oligonucleotide [GG(m6A)CU] as substrate by LCMS-based assay
50017982	14	ChEMBL_2261092 (CHEMBL5216103)	Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO expressed in Escherichia coli BL21 (DE3) incubated for 10 mins using 15-mer ssRNA oligonucleotide [AUUGUGG(m6A)-CUGCAGC as substrate by SPE-MS-based assay
50017982	15	ChEMBL_2261093 (CHEMBL5216104)	Inhibition of recombinant N-terminal hexahistidine-tagged human PDH2 (181 to 426 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by substrate addition and measured after 15 mins using CODD peptide DLDLEMLAPYIPMDDDFQL as substrate by SPE-MS-based assay
50017982	16	ChEMBL_2261094 (CHEMBL5216105)	Inhibition of human FIH preincubated for 15 mins followed by substrate addition and measured after 15 mins using ankyrin peptide HLEVVKLLLEAGADVNAQDK-CONH2 as substrate by SPE-MS-based assay
50017982	17	ChEMBL_2261095 (CHEMBL5216106)	Inhibition of human KDM3A preincubated for 15 mins followed by substrate addition and measured after 5 mins using H3(1-21)K9Me2-GGK-Biotin peptide as substrate by AlphaScreen-based assay
50017982	18	ChEMBL_2261096 (CHEMBL5216107)	Inhibition of human KDM4C preincubated for 15 mins followed by substrate addition and measured after 15 mins using H3(1-21)K9Me3-GGK-Biotin peptide as substrate by AlphaScreen-based assay
50017982	19	ChEMBL_2261097 (CHEMBL5216108)	Inhibition of human KDM5B preincubated for 15 mins followed by substrate addition and measured after 20 mins using H3(1-21)K4Me3-GGK-Biotin peptide as substrate by AlphaScreen-based assay
50017982	20	ChEMBL_2261098 (CHEMBL5216109)	Inhibition of human KDM2A preincubated for 15 mins followed by substrate addition and measured after 30 mins using Biotin-H3(28-48)K36Me2 peptide as substrate by AlphaScreen-based assay
50017982	21	ChEMBL_2261099 (CHEMBL5216110)	Binding affinity to recombinant full length N-terminal hexahistidine-tagged human FTO expressed in Escherichia coli BL21 by competition-based NMR binding assay
50017983	1	ChEMBL_2261101 (CHEMBL5216112)	Inhibition of BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) using [Lys(Ac)5/8/12/16]-histone H4 (1 to 21residues)-GGK as substrate incubated for 30 mins by TR-FRET assay
50017985	1	ChEMBL_2261107 (CHEMBL5216118)	Inhibition of Mycobacterium tuberculosis pantothenate synthetase
50017985	2	ChEMBL_2261111 (CHEMBL5216122)	Inhibition of Mycobacterium smegmatis GyrB incubated for 120 mins in presence of ATP by malachite green r staining based assay
50017985	3	ChEMBL_2261112 (CHEMBL5216123)	Inhibition of Mycobacterium tuberculosis DNA gyrase supercoiling activity
50017987	1	ChEMBL_2261179 (CHEMBL5216190)	Inhibition of mTORC1 (unknown origin)
50017987	2	ChEMBL_2261180 (CHEMBL5216191)	Inhibition of mTORC2 (unknown origin)
50017987	3	ChEMBL_2261181 (CHEMBL5216192)	Inhibition of mTORC1 in human PC-3 cells assessed as measuring phosphorylated S6K level incubated for 24 hrs by AlphaLISA assay
50017987	4	ChEMBL_2261182 (CHEMBL5216193)	Inhibition of mTORC2 in human PC-3 cells assessed as measuring phosphorylated Akt level incubated for 24 hrs by AlphaLISA assay
50017987	5	ChEMBL_2261184 (CHEMBL5216195)	Binding affinity to FKBP12 (unknown origin) assessed as inhibition constant
50017987	6	ChEMBL_2261186 (CHEMBL5216197)	Inhibition of mTORC1 in human A549 cells assessed as measuring phosphorylated S6K1 level incubated for 2 hrs by Western blot analysis
50017987	7	ChEMBL_2261191 (CHEMBL5216202)	Inhibition of mTORC1 in human Jurkat cells assessed as inhibition of S6K phosphorylation incubated for 4 hrs by Western blot analysis
50017987	8	ChEMBL_2261192 (CHEMBL5216203)	Inhibition of recombinant mTOR (unknown origin) using GFP-4E-BP1 as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by TR-FRET assay
50017987	9	ChEMBL_2261193 (CHEMBL5216204)	Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 hr in presence of ATP by TR-FRET assay
50017987	10	ChEMBL_2261194 (CHEMBL5216205)	Inhibition of mTOR (unknown origin)
50017987	11	ChEMBL_2261195 (CHEMBL5216206)	Inhibition of PI3Kalpha (unknown origin) by TR-FRET assay
50017987	12	ChEMBL_2261196 (CHEMBL5216207)	Inhibition of PI3Kbeta (unknown origin) by TR-FRET assay
50017987	13	ChEMBL_2261197 (CHEMBL5216208)	Inhibition of PI3Kgamma (unknown origin) by TR-FRET assay
50017987	14	ChEMBL_2261198 (CHEMBL5216209)	Inhibition of PI3Kdelta (unknown origin) by TR-FRET assay
50017987	15	ChEMBL_2261202 (CHEMBL5216213)	Inhibition of human mTOR assessed as measuring phosphorylated p70S6K level by TR-FRET assay
50017987	16	ChEMBL_2261204 (CHEMBL5216215)	Inhibition of mTORC1 in human A-431 cells assessed as phosphorylated S6RP level incubated for 3 hrs by HTRF assay
50017987	17	ChEMBL_2261205 (CHEMBL5216216)	Inhibition of mTORC2 in human A-431 cells assessed as phosphorylated AKT level incubated for 3 hrs by HTRF assay
50017987	18	ChEMBL_2261206 (CHEMBL5216217)	Inhibition of human PI3Kalpha preincubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50017987	19	ChEMBL_2261207 (CHEMBL5216218)	Inhibition of human PI3Kbeta preincubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50017987	20	ChEMBL_2261208 (CHEMBL5216219)	Inhibition of human PI3Kgamma preincubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50017987	21	ChEMBL_2261209 (CHEMBL5216220)	Inhibition of human PI3Kdelta preincubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50017987	22	ChEMBL_2261210 (CHEMBL5216221)	Inhibition of mTORC1 in human SW620 cells assessed as measuring phosphorylated p70S6K level incubated for 6 hrs by Western blot analysis
50017987	23	ChEMBL_2261211 (CHEMBL5216222)	Inhibition of mTORC1 in human MCF7 cells assessed as measuring phosphorylated S6K1 incubated for 2 hrs by AlphaLISA assay
50017987	24	ChEMBL_2261212 (CHEMBL5216223)	Inhibition of mTORC2 in human MCF7 cells assessed as measuring phosphorylated AKT incubated for 2 hrs by AlphaLISA assay
50017987	25	ChEMBL_2261213 (CHEMBL5216224)	Inhibition of PI3Kalpha (unknown origin)
50017987	26	ChEMBL_2261216 (CHEMBL5216227)	Inhibition of mTORC2 in human MDA-MB-468 cells assessed as measuring phosphorylated AKT incubated for 2 to 4 hrs by AlphaLISA assay
50017987	27	ChEMBL_2261217 (CHEMBL5216228)	Binding affinity to mTOR (unknown origin) assessed as inhibition constant measured after 1 hr by TR-FRET assay
50017991	1	ChEMBL_2261219 (CHEMBL5216230)	Inhibition of Her2 in human MCF7 cells by SDS-PAGE analysis
50017991	2	ChEMBL_2261221 (CHEMBL5216232)	Binding affinity to Hsp90alpha (unknown origin) by fluorescence polarization assay
50017991	3	ChEMBL_2261222 (CHEMBL5216233)	Binding affinity to dog GRP94 by fluorescence polarization assay
50017991	4	ChEMBL_2261223 (CHEMBL5216234)	Inhibition of human cy3B-GM labeled Hsp90alpha expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assay
50017991	5	ChEMBL_2261224 (CHEMBL5216235)	Inhibition of human cy3B-GM labeled Hsp90beta expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assay
50017991	6	ChEMBL_2261225 (CHEMBL5216236)	Inhibition of dog cy3B-GM labeled GRP94 expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assay
50017991	7	ChEMBL_2261226 (CHEMBL5216237)	Inhibition of PU-FITC3 labeled Trap-1 (unknown origin) measured after 24 hrs by fluorescence polarization assay
50017991	8	ChEMBL_2261229 (CHEMBL5216240)	Inhibition of N-terminal full length dog GRP94 (73 to 754 residues) expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assay
50017991	9	ChEMBL_2261230 (CHEMBL5216241)	Inhibition of human N-terminal His-tagged Hsp90alpha (1 to 236 residues) expressed in Escherichia coli BL21(DE3) measured after 24 hrs by fluorescence polarization assay
50017991	10	ChEMBL_2261231 (CHEMBL5216242)	Binding affinity to human Hsp90alpha expressed in Escherichia coli BL21(DE3) incubated for 5 hrs by fluorescence polarization assay
50017991	11	ChEMBL_2261232 (CHEMBL5216243)	Binding affinity to dog GRP94 expressed in Escherichia coli BL21(DE3) incubated for 5 hrs by fluorescence polarization assay
50017991	12	ChEMBL_2261233 (CHEMBL5216244)	Binding affinity to recombinant human Hsp90alpha assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50017991	13	ChEMBL_2261234 (CHEMBL5216245)	Binding affinity to recombinant human Hsp90beta assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50017991	14	ChEMBL_2261235 (CHEMBL5216246)	Binding affinity to recombinant dog GRP94 assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50017991	15	ChEMBL_2261236 (CHEMBL5216247)	Binding affinity to recombinant human TRAP1 assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50017991	16	ChEMBL_2261237 (CHEMBL5216248)	Binding affinity to recombinant human Hsp90alpha incubated for 30 mins by intrinsic fluorescence Spectroscopy
50017991	17	ChEMBL_2261238 (CHEMBL5216249)	Binding affinity to recombinant human Hsp90beta incubated for 30 mins by intrinsic fluorescence Spectroscopy
50017991	18	ChEMBL_2261239 (CHEMBL5216250)	Inhibition of human recombinant Hsp90alpha (1 to 223 residues) expressed in Escherichia coli BL21(DE3) incubated for 24 hrs by fluorescence polarization assay
50017991	19	ChEMBL_2261240 (CHEMBL5216251)	Inhibition of human recombinant Hsp90beta expressed in Escherichia coli BL21(DE3) incubated for 24 hrs by fluorescence polarization assay
50017993	1	ChEMBL_2261241 (CHEMBL5216252)	Binding affinity to IDO1 (unknown origin) assessed as inhibition constant
50017993	2	ChEMBL_2261242 (CHEMBL5216253)	Inhibition of IDO1 (unknown origin)
50017993	3	ChEMBL_2261243 (CHEMBL5216254)	Inhibition of TDO (unknown origin)
50017993	4	ChEMBL_2261249 (CHEMBL5216260)	Inhibition of recombinant N-terminal His tagged IDO1 (unknown origin) expressed in Escherichia coli incubated for 1.5 hrs by FULOstar OMEGA plate reader method
50017993	5	ChEMBL_2261250 (CHEMBL5216261)	Inhibition of recombinant C-terminal His tagged TDO (unknown origin) expressed in Escherichia coli
50017993	6	ChEMBL_2261251 (CHEMBL5216262)	Inhibition of IDO1 in human BT-549 cells
50017993	7	ChEMBL_2261252 (CHEMBL5216263)	Inhibition of TDO in human BT-549 cells
50017993	8	ChEMBL_2261253 (CHEMBL5216264)	Inhibition of IDO1 in human SK-OV-3 cells
50017993	9	ChEMBL_2261254 (CHEMBL5216265)	Inhibition of IDO1 in human A-172 cells
50017993	10	ChEMBL_2261255 (CHEMBL5216266)	Inhibition of human recombinant N-terminal His tagged IDO1 expressed in Escherichia coli using L-Trp as substrate by measuring amount of N-formylkynurenine formed by UV based method
50017993	11	ChEMBL_2261256 (CHEMBL5216267)	Inhibition of human TDO by UV based assay
50017993	12	ChEMBL_2261257 (CHEMBL5216268)	Inhibition of IDO1 in human HeLa cells
50017993	13	ChEMBL_2261264 (CHEMBL5216275)	Inhibition of human recombinant IDO1
50017993	14	ChEMBL_2261265 (CHEMBL5216276)	Inhibition of human recombinant IDO1 in human HeLa cells incubated for 48 hrs
50017993	15	ChEMBL_2261273 (CHEMBL5216284)	Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate incubated for 10 mins
50017993	16	ChEMBL_2261274 (CHEMBL5216285)	Inhibition of HDAC1 (unknown origin) using trypsin as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins
50017993	17	ChEMBL_2261276 (CHEMBL5216287)	Inhibition of human N-terminal His tagged recombinant IDO1 (5 to 403 residues) expressed in Escherichia coli BL21 (DE3)
50017993	18	ChEMBL_2261285 (CHEMBL5216296)	Inhibition of IDO1 in HEK293 cells
50017993	19	ChEMBL_2261286 (CHEMBL5216297)	Inhibition of TDO in human A-172 cells
50017993	20	ChEMBL_2261287 (CHEMBL5216298)	Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate incubated for 10 mins relative to control
50017993	21	ChEMBL_2261288 (CHEMBL5216299)	Inhibition of human IDO1
50017994	1	ChEMBL_2261292 (CHEMBL5216303)	Inhibition of human TGF-beta-R1 using TMB substrate incubated for 2.5 hrs by microplate reader analysis
50017994	2	ChEMBL_2261295 (CHEMBL5216306)	Inhibition of EGFR (unknown origin) incubated for 1 hr in presence of ATP by Kinase-Glo Plus luminescence kinase assay
50017994	3	ChEMBL_2261296 (CHEMBL5216307)	Inhibition of HER2 (unknown origin) incubated for 1 hr in presence of ATP by Kinase-Glo Plus luminescence kinase assay
50017995	1	ChEMBL_2261346 (CHEMBL5216357)	Inhibition of AChE (unknown origin)
50017995	2	ChEMBL_2261347 (CHEMBL5216358)	Inhibition of BChE (unknown origin)
50017995	3	ChEMBL_2261348 (CHEMBL5216359)	Binding affinity to AChE (unknown origin) assessed as inhibition constant
50017995	4	ChEMBL_2261351 (CHEMBL5216362)	Binding affinity of human serum BChE assessed as inhibition constant by Ellman's method
50017995	5	ChEMBL_2261352 (CHEMBL5216363)	Inhibition of human erythrocyte AChE using acetyl-(beta-methyl)thiocholine as substrate by enzymatic assay
50017995	6	ChEMBL_2261353 (CHEMBL5216364)	Inhibition of human plasma BChE using S-butyrylthiocholine as substrate by enzymatic assay
50017995	7	ChEMBL_2261355 (CHEMBL5216366)	Inhibition of human erythrocyte AChE using acetyl-(beta-methyl)thiocholine as substrate by Ellman's method
50017995	8	ChEMBL_2261356 (CHEMBL5216367)	Inhibition of human plasma BChE using S-butyrylthiocholine as substrate by Ellman's method
50017995	9	ChEMBL_2261357 (CHEMBL5216368)	Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate by Ellman's method
50017995	10	ChEMBL_2261358 (CHEMBL5216369)	Inhibition of human plasma BChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by Ellman's method
50017995	11	ChEMBL_2261360 (CHEMBL5216371)	Inhibition of electric eel AChE
50017995	12	ChEMBL_2261361 (CHEMBL5216372)	Inhibition of equine BChE
50017995	13	ChEMBL_2261362 (CHEMBL5216373)	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by spectrophotometry
50017995	14	ChEMBL_2261363 (CHEMBL5216374)	Inhibition of human AChE
50017995	15	ChEMBL_2261364 (CHEMBL5216375)	Inhibition of human BChE
50017995	16	ChEMBL_2261365 (CHEMBL5216376)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 5 mins by absorption based assay
50017995	17	ChEMBL_2261366 (CHEMBL5216377)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Ellman's method
50017995	18	ChEMBL_2261367 (CHEMBL5216378)	Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman's method
50017995	19	ChEMBL_2261369 (CHEMBL5216380)	Inhibition of recombinant human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50017995	20	ChEMBL_2261370 (CHEMBL5216381)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by Ellman's method
50017995	21	ChEMBL_2261371 (CHEMBL5216382)	Inhibition of recombinant human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method
50017995	22	ChEMBL_2261374 (CHEMBL5216385)	Inhibition of recombinant human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50017995	23	ChEMBL_2261375 (CHEMBL5216386)	Inhibition of recombinant human serum BChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method
50017995	24	ChEMBL_2261376 (CHEMBL5216387)	Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50017995	25	ChEMBL_2261377 (CHEMBL5216388)	Inhibition of rat serum BChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50017995	26	ChEMBL_2261380 (CHEMBL5216391)	Inhibition of rat AChE
50017995	27	ChEMBL_2261382 (CHEMBL5216393)	Inhibition of human whole red blood cells AChE using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method
50017995	28	ChEMBL_2261383 (CHEMBL5216394)	Inhibition of human whole red blood cells BChE using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method
50017995	29	ChEMBL_2261385 (CHEMBL5216396)	Inhibition of bovine AChE
50017995	30	ChEMBL_2261386 (CHEMBL5216397)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition by Ellman's method
50017995	31	ChEMBL_2261387 (CHEMBL5216398)	Binding affinity to Muscarinic acetylcholine receptor M1 (unknown origin) assessed as inhibition constant
50017995	32	ChEMBL_2261388 (CHEMBL5216399)	Binding affinity to Muscarinic acetylcholine receptor M2 (unknown origin) assessed as inhibition constant
50017995	33	ChEMBL_2261389 (CHEMBL5216400)	Binding affinity to Muscarinic acetylcholine receptor M3 (unknown origin) assessed as inhibition constant
50017995	34	ChEMBL_2261390 (CHEMBL5216401)	Binding affinity to human AChE assessed as inhibition constant using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50017995	35	ChEMBL_2261391 (CHEMBL5216402)	Binding affinity to human CA1 assessed as inhibition constant using p-nitrophenylacetate as substrate by spectrophotometry
50017995	36	ChEMBL_2261392 (CHEMBL5216403)	Binding affinity to human CA2 assessed as inhibition constant using p-nitrophenylacetate as substrate by spectrophotometry
50017995	37	ChEMBL_2261393 (CHEMBL5216404)	Inhibition of electric eel AchE using acetylthiocholine as substrate preincubated for 5 to 60 mins followed by substrate addition measured after 15 secs by Ellman's method
50017995	38	ChEMBL_2261394 (CHEMBL5216405)	Inhibition of rat AChE by Ellman's method
50017995	39	ChEMBL_2261395 (CHEMBL5216406)	Inhibition of MAO-A (unknown origin)
50017995	40	ChEMBL_2261396 (CHEMBL5216407)	Inhibition of MAO-B (unknown origin)
50017995	41	ChEMBL_2261397 (CHEMBL5216408)	Inhibition of recombinant human AChE
50017995	42	ChEMBL_2261399 (CHEMBL5216410)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by Ellman's method
50017995	43	ChEMBL_2261400 (CHEMBL5216411)	Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by Ellman's method
50017995	44	ChEMBL_2261401 (CHEMBL5216412)	Inhibition of recombinant human MAO-A using kynuramine as substrate preincubated for 10 mins followed by susbstrate addition measured after 20 mins by fluorescent plate reader analysis
50017995	45	ChEMBL_2261402 (CHEMBL5216413)	Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 10 mins followed by susbstrate addition measured after 20 mins by fluorescent plate reader analysis
50017995	46	ChEMBL_2261403 (CHEMBL5216414)	Inhibition of recombinant human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 45 to 90 mins by Ellman's method
50017995	47	ChEMBL_2261404 (CHEMBL5216415)	Inhibition of recombinant human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 45 to 90 mins by Ellman's method
50017995	48	ChEMBL_2261405 (CHEMBL5216416)	Displacement of [14C]-ethanolamine from FAAH derived from rat brain membrane fraction preincubated for 20 mins followed by susbstrate addition by scintillation counting method
50017995	49	ChEMBL_2261407 (CHEMBL5216418)	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured upto 180 secs by Ellman's method
50017995	50	ChEMBL_2261408 (CHEMBL5216419)	Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured upto 20 mins by Amplex red assay
50017995	51	ChEMBL_2261409 (CHEMBL5216420)	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured upto 20 mins by Amplex red assay
50017995	52	ChEMBL_2261410 (CHEMBL5216421)	Inhibition of Sprague-Dawley rat cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins in presence of iso-OMPA inhibitor by Ellman's method
50017995	53	ChEMBL_2261411 (CHEMBL5216422)	Inhibition of Sprague-Dawley rat serum BChE using butyrylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50017995	54	ChEMBL_2261412 (CHEMBL5216423)	Inhibition of horse BChE using butyrylthiocholine as substrate measured for 5 mins by Ellman's method
50017995	55	ChEMBL_2261413 (CHEMBL5216424)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50017995	56	ChEMBL_2261414 (CHEMBL5216425)	Binding affinity to AChE (unknown origin) assessed as inhibition constant preincubated for 60 mins followed by substrate addition measured after 60 mins by colorimetric method
50017995	57	ChEMBL_2261415 (CHEMBL5216426)	Inhibition of BACE1 (unknown origin) using A-beta-PP as substrate by fluorescence based assay
50017995	58	ChEMBL_2261417 (CHEMBL5216428)	Inhibition of recombinant human BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's method
50017995	59	ChEMBL_2261419 (CHEMBL5216430)	Inhibition of recombinant human MAO-B expressed in BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by Amplex Red assay
50017995	60	ChEMBL_2261420 (CHEMBL5216431)	Inhibition of rat BChE
50017995	61	ChEMBL_2261422 (CHEMBL5216433)	Inhibition of SERT (unknown origin)
50017995	62	ChEMBL_2261423 (CHEMBL5216434)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's method
50017995	63	ChEMBL_2261424 (CHEMBL5216435)	Binding affinity to electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's method
50017995	64	ChEMBL_2261425 (CHEMBL5216436)	Inhibition of PDE9A (unknown origin)
50017995	65	ChEMBL_2261426 (CHEMBL5216437)	Inhibition of equine BChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50017995	66	ChEMBL_2261427 (CHEMBL5216438)	Binding affinity to AChE (unknown origin) assessed as inhibition constant using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's method
50017995	67	ChEMBL_2261428 (CHEMBL5216439)	Displacement of 14C-phenylethylamine from MAO-B (unknown origin) preincubated for 60 mins followed by substrate addition measured after 20 mins in presence of clorgyline by liquid scintillation counting method
50017995	68	ChEMBL_2261429 (CHEMBL5216440)	Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50017995	69	ChEMBL_2261430 (CHEMBL5216441)	Inhibition of human red blood cell AChE using acetylcholine as substrate preincubated for 60 mins by Ellman's method
50017995	70	ChEMBL_2261431 (CHEMBL5216442)	Inhibition of equine serum BChE using butyrylthiocholine as substrate preincubated for 60 mins by Ellman's method
50017995	71	ChEMBL_2261432 (CHEMBL5216443)	Displacement of 14C-5-hydroxytryptamine creatinine disulfate from MAO-A (unknown origin) preincubated for 60 mins followed by substrate addition measured after 30 mins in presence of selegiline by liquid scintillation counting method
50017995	72	ChEMBL_2261434 (CHEMBL5216445)	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured every 30 secs for 5 mins by Ellman's method
50017995	73	ChEMBL_2261435 (CHEMBL5216446)	Binding affinity to human AChE assessed as inhibition constant
50017995	74	ChEMBL_2261436 (CHEMBL5216447)	Binding affinity to human BChE assessed as inhibition constant
50017995	75	ChEMBL_2261437 (CHEMBL5216448)	Inhibition of recombinant human AChE using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured after 6 mins by Ellman's method
50017996	1	ChEMBL_2261439 (CHEMBL5216450)	Binding affinity to DDX3X (unknown origin) assessed as inhibition constant
50017996	2	ChEMBL_2261440 (CHEMBL5216451)	Binding affinity to His-tagged full-length recombinant human DDX3X expressed in Escherichia coli assessed as inhibition constant in presence of ATP by ADP-Glo kinase assay
50017996	3	ChEMBL_2261441 (CHEMBL5216452)	Inhibition of DDX3X (unknown origin) helicase activity
50017996	4	ChEMBL_2261442 (CHEMBL5216453)	Inhibition of recombinant DDX3X (unknown origin) helicase activity using dsRNA as substrate incubated for 40 mins by FRET assay
50017996	5	ChEMBL_2261443 (CHEMBL5216454)	Inhibition of recombinant DDX3X (unknown origin) helicase activity using 6-FAM-labeled dsRNA as substrate incubated for 30 mins by fluorescence based assay
50017999	1	ChEMBL_2261486 (CHEMBL5216497)	Inhibition of ABCG2 (unknown origin)
50017999	2	ChEMBL_2261487 (CHEMBL5216498)	Inhibition of wildtype ABCG2 (unknown origin) transfected in HEK293 cells measured after 30 mins by flow cytometric anlaysis
50017999	3	ChEMBL_2261488 (CHEMBL5216499)	Inhibition of ABCG2 in HEK293 cells
50017999	4	ChEMBL_2261489 (CHEMBL5216500)	Inhibition of ABCG2 (unknown origin) overexpressing in dog MDCK-II-BCRP cells measured after 30 mins by flow cytometric analysis
50017999	5	ChEMBL_2261490 (CHEMBL5216501)	Inhibition of ABCG2 (unknown origin) overexpressing in dog MDCK-II-BCRP cells
50017999	6	ChEMBL_2261493 (CHEMBL5216504)	Inhibition of ABCG2 (unknown origin) in Sf9 membrane vesicles using [3H] methotrexate as substrate
50018000	1	ChEMBL_2261502 (CHEMBL5216513)	Inhibition of human IDO1
50018000	2	ChEMBL_2261503 (CHEMBL5216514)	Inhibition of human IDO2
50018000	3	ChEMBL_2261538 (CHEMBL5216549)	Inhibition of IDO1 (unknown origin)
50018000	4	ChEMBL_2261539 (CHEMBL5216550)	Inhibition of IDO2 (unknown origin)
50018000	5	ChEMBL_2261540 (CHEMBL5216551)	Inhibition of TDO (unknown origin)
50018003	1	ChEMBL_2261551 (CHEMBL5216562)	Inhibition of human recombinant ERalpha expressed in baculovirus expression system measured after 20 mins by fluorescent polarisation Assay
50018003	2	ChEMBL_2261552 (CHEMBL5216563)	Inhibition of human recombinant ERbeta expressed in baculovirus expression system measured after 20 mins by fluorescent polarisation Assay
50018004	1	ChEMBL_2261559 (CHEMBL5216570)	Inhibition of human LPAAT-beta by cell-free colorimetric assay
50018004	2	ChEMBL_2261572 (CHEMBL5216583)	Inhibition of LPAAT-beta (unknown origin) expressed in Xenopus laevis oocytes incubated for 3 mins
50018004	3	ChEMBL_2261578 (CHEMBL5216589)	Inhibition of cGAS (unknown origin)
50018004	4	ChEMBL_2261579 (CHEMBL5216590)	Inhibition of IMPDH2 (unknown origin)
50018004	5	ChEMBL_2261580 (CHEMBL5216591)	Inhibition of human NOX1
50018004	6	ChEMBL_2261581 (CHEMBL5216592)	Inhibition of human NOX2
50018004	7	ChEMBL_2261582 (CHEMBL5216593)	Inhibition of human NOX3
50018004	8	ChEMBL_2261583 (CHEMBL5216594)	Inhibition of human NOX4
50018004	9	ChEMBL_2261584 (CHEMBL5216595)	Inhibition of human NOX5
50018004	10	ChEMBL_2261585 (CHEMBL5216596)	Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cells by radioligand binding assay
50018004	11	ChEMBL_2261586 (CHEMBL5216597)	Displacement of [3H]-Raclopride from human 5-HT1AR expressed in HEK293 cells by radioligand binding assay
50018004	12	ChEMBL_2261587 (CHEMBL5216598)	Displacement of [3H]-Raclopride from human 5-HT2AR expressed in HEK293 cells by radioligand binding assay
50018004	13	ChEMBL_2261588 (CHEMBL5216599)	Displacement of [3H]-5Carboxyamidotryptamine from human 5-HT7R expressed in HEK293 cells by radioligand binding assay
50018004	14	ChEMBL_2261589 (CHEMBL5216600)	Displacement of [3H]-Raclopride from human dopamine D2 receptor expressed in HEK293 cells by radioligand binding assay
50018004	15	ChEMBL_2261592 (CHEMBL5216603)	Agonist activity at GPR40 (unknown origin)
50018004	16	ChEMBL_2261594 (CHEMBL5216605)	Positive allosteric modulation of GPR40 (unknown origin)
50018004	17	ChEMBL_2261595 (CHEMBL5216606)	Inhibition of human ENT1 transfected in nucleoside transporter-deficient pig PK-15 cells assessed as inhibition of [3H]-adenosine uptake by liquid scintillation counter analysis
50018004	18	ChEMBL_2261596 (CHEMBL5216607)	Inhibition of human ENT2 transfected in nucleoside transporter-deficient pig PK-15 cells assessed as inhibition of [3H]-adenosine uptake by liquid scintillation counter analysis
50018004	19	ChEMBL_2261597 (CHEMBL5216608)	Inhibition of human ENT1 transfected in nucleoside transporter-deficient pig PK-15 cells assessed as inhibition of [3H]-uridine uptake by liquid scintillation counter analysis
50018004	20	ChEMBL_2261598 (CHEMBL5216609)	Inhibition of human ENT2 transfected in nucleoside transporter-deficient pig PK-15 cells assessed as inhibition of [3H]-uridine uptake by liquid scintillation counter analysis
50018006	1	ChEMBL_2261666 (CHEMBL5216677)	Agonist activity at STING in human THP-1 cells harboring IRF-inducible luciferase reporter construct assessed as increase in ISG signalling incubated for 12 hrs by Quanti-luc reagent based assay
50018006	2	ChEMBL_2261674 (CHEMBL5216685)	Agonist activity at STING in human THP-1 cells harboring IRF-inducible luciferase reporter construct assessed as increase in relative fluorescence unit incubated for 12 hrs by Quanti-luc reagent based assay
50018006	3	ChEMBL_2261675 (CHEMBL5216686)	Agonist activity at STING in mouse RAW264.7 cells harboring IRF-inducible luciferase reporter construct assessed as increase in relative fluorescence unit incubated for 12 hrs by Quanti-luc reagent based assay
50018006	4	ChEMBL_2261676 (CHEMBL5216687)	Agonist activity at STING in cGAS knockout human THP-1 cells harboring IRF-inducible luciferase reporter construct assessed as increase in relative fluorescence unit incubated for 12 hrs by Quanti-luc reagent based assay
50018006	5	ChEMBL_2261677 (CHEMBL5216688)	Agonist activity at STING in STING knockout human THP-1 cells harboring IRF-inducible luciferase reporter construct assessed as increase in relative fluorescence unit incubated for 12 hrs by Quanti-luc reagent based assay
50018007	1	ChEMBL_2261692 (CHEMBL5216703)	Inhibition of [3H]-PDBu binding to PKCalpha C1A domain (unknown origin) by competitive binding assay
50018007	2	ChEMBL_2261693 (CHEMBL5216704)	Inhibition of [3H]-PDBu binding to PKCdelta C1B domain (unknown origin) by competitive binding assay
50018009	1	ChEMBL_2261706 (CHEMBL5216717)	Antagonist activity at human muscarinic M4 receptor
50018009	2	ChEMBL_2261707 (CHEMBL5216718)	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018009	3	ChEMBL_2261711 (CHEMBL5216722)	Antagonist activity at rat muscarinic M5 receptor
50018009	4	ChEMBL_2261713 (CHEMBL5216724)	Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018009	5	ChEMBL_2261714 (CHEMBL5216725)	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018009	6	ChEMBL_2261724 (CHEMBL5216735)	Antagonist activity at human muscarinic M3 receptor
50018009	7	ChEMBL_2261725 (CHEMBL5216736)	Antagonist activity at human muscarinic M2 receptor
50018009	8	ChEMBL_2261726 (CHEMBL5216737)	Antagonist activity at human muscarinic M1 receptor
50018010	1	ChEMBL_2261751 (CHEMBL5216762)	Inhibition of CDK4/cyclin D1 (unknown origin)
50018010	2	ChEMBL_2261752 (CHEMBL5216763)	Inhibition of CDK6/cyclin D1 (unknown origin)
50018010	3	ChEMBL_2261754 (CHEMBL5216765)	Inhibition of CDK2/cyclin E1 (unknown origin)
50018010	4	ChEMBL_2261755 (CHEMBL5216766)	Inhibition of CDK7/cyclin H/MAT1 (unknown origin)
50018010	5	ChEMBL_2261756 (CHEMBL5216767)	Inhibition of CDK9/cyclin T1 (unknown origin)
50018011	1	ChEMBL_2261785 (CHEMBL5216796)	Agonist activity at FXR in HEK293T cells assessed as transcriptional activity by measuring fluorescence intensity by luciferase reporter assay
50018013	1	ChEMBL_2261809 (CHEMBL5216820)	Inhibition of Escherichia coli DNA gyrase supercoiling activity using topoisomerase II treated decatenated kDNA as substrate incubated for 15 to 30 mins by agarose gel electrophoresis analysis
50018014	1	ChEMBL_2261820 (CHEMBL5216831)	Inhibition of PDE4 CAT (unknown origin)
50018014	2	ChEMBL_2261822 (CHEMBL5216833)	Inhibition of pig brain tubulin polymerization by spectrometric method
50018016	1	ChEMBL_2261839 (CHEMBL5216850)	Inhibition of recombinant Mycobacterium tuberculosis H37Rv MptpB using pNPP as substrate incubated for 10 mins and measured by spectrophotometric method
50018016	2	ChEMBL_2261845 (CHEMBL5216856)	Inhibition of recombinant Mycobacterium tuberculosis H37Rv MptpA using pNPP as substrate incubated for 10 mins and measured by spectrophotometric method
50018016	3	ChEMBL_2261847 (CHEMBL5216858)	Inhibition of recombinant human PTP1B using pNPP as substrate preincubated for 5 mins followed by substrate addition assessed as reduction in p-nitrophenol release
50018016	4	ChEMBL_2261848 (CHEMBL5216859)	Non-competitive inhibition of recombinant Mycobacterium tuberculosis H37Rv MptpB using pNPP as substrate
50018019	1	ChEMBL_2261891 (CHEMBL5216902)	Inhibition of recombinant human MAO-B
50018019	2	ChEMBL_2261892 (CHEMBL5216903)	Inhibition of human MAO-A
50018020	1	ChEMBL_2261915 (CHEMBL5216926)	Binding affinity to full length wild type STAT3-SH2 domain (unknown origin) assessed as equilibrium dissociation constant by SPR analysis
50018025	1	ChEMBL_2261966 (CHEMBL5216977)	Inhibition of PHD2 in human Hep3B cells assessed as increase in EPO production measured after 24 hrs by ELISA
50018026	1	ChEMBL_2261974 (CHEMBL5216985)	Inhibition of norepinephrine transporter (unknown origin) assessed as inhibition of norepinephrine reuptake
50018026	2	ChEMBL_2261975 (CHEMBL5216986)	Inhibition of dopamine transporter (unknown origin) assessed as inhibition of dopamine reuptake
50018027	1	ChEMBL_2261992 (CHEMBL5217003)	Inhibition of human recombinant MAO-A assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50018027	2	ChEMBL_2261993 (CHEMBL5217004)	Inhibition of human recombinant MAO-B assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry
50018027	3	ChEMBL_2261994 (CHEMBL5217005)	Inhibition of porcine kidney DAAO using D-serine as substrate by Amplex red and horseradish peroxidase fluorescence assay
50018027	4	ChEMBL_2261996 (CHEMBL5217007)	Competitive inhibition of human recombinant MAO-A assessed as inhibitory constant using varying levels of kynuramine as substrate by Lineweaver-burk plot analysis
50018027	5	ChEMBL_2261997 (CHEMBL5217008)	Competitive inhibition of human recombinant MAO-B assessed as inhibitory constant using varying levels of kynuramine as substrate by Lineweaver-burk plot analysis
50018027	6	ChEMBL_2261999 (CHEMBL5217010)	Inhibition of human recombinant AChE using S-acetylthiocholine as substrate by DTNB reagent based spectrophotometric analysis
50018027	7	ChEMBL_2262001 (CHEMBL5217012)	Inhibition of equine serum BuChE using S-butyrylthiocholine as substrate at by DTNB reagent based spectrophotometric analysis
50018029	1	ChEMBL_2262039 (CHEMBL5217050)	Inhibition of PI3Kdelta (unknown origin) measured by ADP-Glo assay
50018029	2	ChEMBL_2262040 (CHEMBL5217051)	Inhibition of HDAC6 (unknown origin) measured by fluorescence based assay
50018029	3	ChEMBL_2262041 (CHEMBL5217052)	Inhibition of HDAC1 (unknown origin) measured by fluorescence based assay
50018029	4	ChEMBL_2262048 (CHEMBL5217059)	Inhibition of PI3Kalpha (unknown origin) measured by ADP-Glo assay
50018029	5	ChEMBL_2262049 (CHEMBL5217060)	Inhibition of PI3Kgamma (unknown origin) measured by ADP-Glo assay
50018029	6	ChEMBL_2262052 (CHEMBL5217063)	Inhibition of HDAC8 (unknown origin) measured by fluorescence based assay
50018029	7	ChEMBL_2262053 (CHEMBL5217064)	Inhibition of HDAC11 (unknown origin) measured by fluorescence based assay
50018030	1	ChEMBL_2262078 (CHEMBL5217089)	Inhibition of PI4K2A catalytic domain (unknown origin) assessed as enzyme residual activity incubated for 60 mins using ATP as substrate by ATP-Glo luminescent assay
50018030	2	ChEMBL_2262079 (CHEMBL5217090)	Inhibition of PI4KA catalytic domain (unknown origin) assessed as enzyme residual activity incubated for 60 mins using ATP as substrate by ATP-Glo luminescent assay
50018030	3	ChEMBL_2262080 (CHEMBL5217091)	Inhibition of PI4KB catalytic domain (unknown origin) assessed as enzyme residual activity incubated for 60 mins using ATP as substrate by ATP-Glo luminescent assay
50018031	1	ChEMBL_2262081 (CHEMBL5217092)	Inhibition of wild-type human Slack expressed in HEK293 cells measured by whole-cell patch clamp assay
50018031	2	ChEMBL_2262082 (CHEMBL5217093)	Inhibition of wild-type human Slack expressed in HEK293 cells measured by automated patch clamp assay
50018031	3	ChEMBL_2262083 (CHEMBL5217094)	Inhibition of wild-type human Slack expressed in HEK293 cells measured by thallium flux assay
50018031	4	ChEMBL_2262085 (CHEMBL5217096)	Activation of wild-type human Slack expressed in HEK293 cells measured by thallium flux assay
50018031	5	ChEMBL_2262090 (CHEMBL5217101)	Inhibition of Slick (unknown origin) expressed in HEK293 cells measured by thallium flux assay
50018031	6	ChEMBL_2262092 (CHEMBL5217103)	Inhibition of Maxi-K (unknown origin) expressed in HEK293 cells measured by thallium flux assay
50018031	7	ChEMBL_2262094 (CHEMBL5217105)	Inhibition of wild-type Slack (unknown origin) expressed in HEK293 cells measured by whole-cell electrophysiology assay
50018032	1	ChEMBL_2262106 (CHEMBL5217117)	Modulation of human Sirt3 (118 to 399 residues) deacetylation activity under non-steady state assessed as substrate deacetylation at low enzyme concentration with [E]0/[NAD+]0 ratio of 0.1 incubated for 5 mins using MnSOD peptide as substrate in presence of NAD+ by HPLC-assay relative to control
50018032	2	ChEMBL_2262107 (CHEMBL5217118)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant by microscale thermophoresis analysis
50018032	3	ChEMBL_2262108 (CHEMBL5217119)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant using acetylated MnSOD peptide as substrate by microscale thermophoresis analysis
50018032	4	ChEMBL_2262109 (CHEMBL5217120)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant using acetylated MnSOD peptide as substrate in presence of honokiol by microscale thermophoresis analysis
50018032	5	ChEMBL_2262110 (CHEMBL5217121)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant of ternary complex using acetylated MnSOD peptide as substrate in presence of OAADPr by microscale thermophoresis analysis
50018032	6	ChEMBL_2262111 (CHEMBL5217122)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant (Kon) by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	7	ChEMBL_2262112 (CHEMBL5217123)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant (Koff) by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	8	ChEMBL_2262113 (CHEMBL5217124)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	9	ChEMBL_2262114 (CHEMBL5217125)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant (Kon) of ternary complex using acetylated MnSOD peptide as substrate in presence of OAADPr by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	10	ChEMBL_2262115 (CHEMBL5217126)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant (Koff) of ternary complex using acetylated MnSOD peptide as substrate in presence of OAADPr by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	11	ChEMBL_2262116 (CHEMBL5217127)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant of ternary complex using acetylated MnSOD peptide as substrate in presence of OAADPr by short DNA nano levers based switchSENSE microfluid bio-chip analysis
50018032	12	ChEMBL_2262117 (CHEMBL5217128)	Binding affinity to human Sirt3 (118 to 399 residues) assessed as dissociation constant using 625nM acetylated MnSOD peptide as substrate by microscale thermophoresis analysis
50018036	1	ChEMBL_2262120 (CHEMBL5217131)	Inhibition of Staphylococcus aureus MraY assessed as reduction of dansylated lipid I formation using UDP-MurNAc-dansylpentapeptide as substrate incubated for 3 to 4 hrs by fluorescence based analysis
50018038	1	ChEMBL_2262131 (CHEMBL5217142)	Inhibition of FAP-1(unknown origin)
50018038	2	ChEMBL_2262132 (CHEMBL5217143)	Inhibition of PTPH1 (unknown origin)
50018038	3	ChEMBL_2262134 (CHEMBL5217145)	Inhibition of HePTP (unknown origin)
50018038	4	ChEMBL_2262135 (CHEMBL5217146)	Inhibition of LYP (unknown origin)
50018038	5	ChEMBL_2262136 (CHEMBL5217147)	Inhibition of SHP1 (unknown origin)
50018038	6	ChEMBL_2262137 (CHEMBL5217148)	Inhibition of TC-PTP (unknown origin)
50018038	7	ChEMBL_2262138 (CHEMBL5217149)	Inhibition of SHP2 (unknown origin)
50018038	8	ChEMBL_2262139 (CHEMBL5217150)	Inhibition of PTP1B (unknown origin)
50018038	9	ChEMBL_2262140 (CHEMBL5217151)	Inhibition of N-terminal His-tagged full length mouse LMW-PTP expressed in Escherichia coli BL21(DE3) by SDS PAGE based mass spectrometry analysis
50018038	10	ChEMBL_2262141 (CHEMBL5217152)	Inhibition of His-tagged human LMW-PTP expressed in Escherichia coli BL21 at 10 uM using pNPP as substrate incubated for 10 mins by microplate reader based spectrophotometric analysis relative to control
50018038	11	ChEMBL_2262142 (CHEMBL5217153)	Inhibition of His-tagged human LMW-PTP expressed in Escherichia coli BL21 using pNPP as substrate incubated for 10 mins by microplate reader based spectrophotometric analysis
50018038	12	ChEMBL_2262143 (CHEMBL5217154)	Inhibition of PEST(unknown origin)
50018038	13	ChEMBL_2262144 (CHEMBL5217155)	Inhibition of CD45 (unknown origin)
50018038	14	ChEMBL_2262145 (CHEMBL5217156)	Inhibition of LAR(unknown origin)
50018038	15	ChEMBL_2262146 (CHEMBL5217157)	Inhibition of PTPalpha (unknown origin)
50018038	16	ChEMBL_2262147 (CHEMBL5217158)	Inhibition of PTPbeta (unknown origin)
50018038	17	ChEMBL_2262148 (CHEMBL5217159)	Inhibition of PTPgamma (unknown origin)
50018038	18	ChEMBL_2262149 (CHEMBL5217160)	Inhibition of PTPepsilon (unknown origin)
50018038	19	ChEMBL_2262150 (CHEMBL5217161)	Inhibition of PTPsigma (unknown origin)
50018038	20	ChEMBL_2262151 (CHEMBL5217162)	Inhibition of PTPmu (unknown origin)
50018038	21	ChEMBL_2262152 (CHEMBL5217163)	Inhibition of MKP3 (unknown origin)
50018038	22	ChEMBL_2262153 (CHEMBL5217164)	Inhibition of VHR (unknown origin)
50018038	23	ChEMBL_2262154 (CHEMBL5217165)	Inhibition of VHZ (unknown origin)
50018038	24	ChEMBL_2262155 (CHEMBL5217166)	Inhibition of CDC14A (unknown origin)
50018038	25	ChEMBL_2262156 (CHEMBL5217167)	Inhibition of SSU72 (unknown origin)
50018038	26	ChEMBL_2262157 (CHEMBL5217168)	Inhibition of PP5 (unknown origin)
50018038	27	ChEMBL_2262188 (CHEMBL5217199)	Inhibition of N-terminal His-tagged full length rat LMW-PTP expressed in Escherichia coli BL21(DE3)
50018038	28	ChEMBL_2262190 (CHEMBL5217201)	Competitive inhibition of LMW-PTP (unknown origin) assessed as inhibition constant by Lineweaver-Burk plot analysis
50018039	1	ChEMBL_2262233 (CHEMBL5217244)	Inhibition of AKT1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 120 mins by hotspot kinase assay
50018039	2	ChEMBL_2262234 (CHEMBL5217245)	Inhibition of AKT2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 120 mins by hotspot kinase assay
50018039	3	ChEMBL_2262235 (CHEMBL5217246)	Inhibition of AKT3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 120 mins by hotspot kinase assay
50018039	4	ChEMBL_2262237 (CHEMBL5217248)	Induction of AKT degradation in MS21-resistant human SW620 cells harboring KRAS/BRAF mutant assessed as reduction in total AKT level incubated for 24 hrs by Western blot analysis
50018041	1	ChEMBL_2262276 (CHEMBL5217287)	Inhibition of recombinant human MMP13 using APMA and fTHP-15(FAM) as substrate preincubated for 30 mins followed by substrate addition by fluorescence microplate reader assay
50018041	2	ChEMBL_2262278 (CHEMBL5217289)	Inhibition of MMP-1 (unknown origin)
50018041	3	ChEMBL_2262279 (CHEMBL5217290)	Inhibition of MMP-2 (unknown origin) using fTHP-15(FAM) as substrate
50018041	4	ChEMBL_2262280 (CHEMBL5217291)	Inhibition of MMP-8 (unknown origin) using fTHP-15(FAM) as substrate
50018041	5	ChEMBL_2262300 (CHEMBL5217311)	Inhibition of Collagen-II-alpha 1 (unknown origin) incubated for 22 hrs by Coomassie blue staining based SDS-PAGE analysis
50018043	1	ChEMBL_2262315 (CHEMBL5217326)	Inhibition of serotonin transporter in rat brain tissue assessed as inhibition of [3H]-5-hydroxytryptamine reuptake
50018043	2	ChEMBL_2262316 (CHEMBL5217327)	Displacement of [3H]8-OH-DAPT from 5-HT1A receptor in human HEK293 cells measured after 60 mins by scintillation counting method
50018044	1	ChEMBL_2262326 (CHEMBL5217337)	Displacement of tracer from C-terminal FLAG-tagged human Nectin-4 (32 to 349 residues) expressed in baculovirus infected sf9 cells assessed as inhibition constant measured at 5 to 10 mins interval for 60 mins by fluorescence polarization assay
50018044	2	ChEMBL_2262331 (CHEMBL5217342)	Binding affinity to C-terminal FLAG-tagged human Nectin-4 (32 to 349 residues) expressed in baculovirus infected sf9 cells assessed as dissociation constant by SPR assay
50018045	1	ChEMBL_2262341 (CHEMBL5217352)	Inhibition of RNF114 (unknown origin)
50018045	2	ChEMBL_2262345 (CHEMBL5217356)	Inhibition of CDK9 (unknown origin) using [33-p]-ATP as substrate incubated for 40 mins by Western blot analysis
50018045	3	ChEMBL_2262367 (CHEMBL5217378)	Inhibition of HMGCR (unknown origin)
50018045	4	ChEMBL_2262371 (CHEMBL5217382)	Inhibition of CDK9 (unknown origin) incubated for 1 hr by fluorescent polarisation based assay
50018047	1	ChEMBL_2262381 (CHEMBL5217392)	Agonist activity at human CB1 receptor expressed in mouse AtT20 cells by FLIPR assay
50018047	2	ChEMBL_2262382 (CHEMBL5217393)	Agonist activity at human CB2 receptor expressed in mouse AtT20 cells by FLIPR assay
50018047	3	ChEMBL_2262387 (CHEMBL5217398)	Binding affinity to GAK (unknown origin) by KINOMEscan analysis
50018047	4	ChEMBL_2262388 (CHEMBL5217399)	Positive allosteric modulator activity at mGluR2 receptor (unknown origin) assessed as glutamate-induced [35S]GTPgammaS binding
50018047	5	ChEMBL_2262390 (CHEMBL5217401)	Displacement of [3H]DAMGO from human cloned mu-opioid receptor by radioligand binding assay
50018047	6	ChEMBL_2262391 (CHEMBL5217402)	Displacement of [3H]DAMGO from human mu opioid receptor measured after 2 hrs by competitive binding assay
50018047	7	ChEMBL_2262392 (CHEMBL5217403)	Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membrane incubated for 1 hr by liquid scintillation spectrophotometric analysis
50018047	8	ChEMBL_2262393 (CHEMBL5217404)	Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation spectrophotometric analysis
50018048	1	ChEMBL_2262413 (CHEMBL5217424)	Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis
50018048	2	ChEMBL_2262414 (CHEMBL5217425)	Inhibition of endogenous human plasma kallikrein using Z-Phe-Arg-AMC.HCl as substrate measured after 5 mins by microplate reader analysis
50018052	1	ChEMBL_2262434 (CHEMBL5217445)	Inhibition of human GGT1 expressed in Pichia pastoris assessed as inhibition of GSH hydrolysis measured by L-glutamate release assay
50018052	2	ChEMBL_2262435 (CHEMBL5217446)	Inhibition of human GGT1 transpeptidation in Pichia pastoris using L-GpNA as substrate in presence of Gly-Gly
50018055	1	ChEMBL_2262437 (CHEMBL5217448)	Inhibition of HDAC1 (unknown origin)
50018055	2	ChEMBL_2262438 (CHEMBL5217449)	Inhibition of HDAC2 (unknown origin)
50018055	3	ChEMBL_2262439 (CHEMBL5217450)	Inhibition of HDAC3 (unknown origin)
50018055	4	ChEMBL_2262440 (CHEMBL5217451)	Inhibition of HDAC3 (unknown origin) using fluorometric substrate by fluorogenic assay
50018055	5	ChEMBL_2262441 (CHEMBL5217452)	Inhibition of HDAC1 (unknown origin) using fluorometric substrate by fluorogenic assay
50018055	6	ChEMBL_2262442 (CHEMBL5217453)	Inhibition of HDAC2 (unknown origin) using fluorometric substrate by fluorogenic assay
50018055	7	ChEMBL_2262443 (CHEMBL5217454)	Inhibition of HDAC8 (unknown origin) using fluorometric substrate by fluorogenic assay
50018055	8	ChEMBL_2262444 (CHEMBL5217455)	Inhibition of HDAC6 (unknown origin)
50018056	1	ChEMBL_2262448 (CHEMBL5217459)	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate incubated for 30 mins by fluorescence based enzyme immunoassay
50018056	2	ChEMBL_2262455 (CHEMBL5217466)	Inhibition of human DPP4 using Gly-Pro-AMC as substrate incubated for 30 mins by continuous fluorescent assay
50018057	1	ChEMBL_2262522 (CHEMBL5217533)	Antagonist activity at GCNF (unknown origin) by luciferase reporter gene assay
50018060	1	ChEMBL_2262570 (CHEMBL5217581)	Inhibition of N-terminal his-tagged human recombinant BCAT1 expressed in Escherichia coli BL21(DE3) cells using leucine and alpha-KG as substrate in presence of NADH by fluorescence assay
50018060	2	ChEMBL_2262571 (CHEMBL5217582)	Inhibition of human recombinant BCAT2 using leucine and alpha-KG as substrate in presence of NADH by fluorescence assay
50018060	3	ChEMBL_2262599 (CHEMBL5217610)	Inhibition of GOT1 (unknown origin)
50018060	4	ChEMBL_2262600 (CHEMBL5217611)	Inhibition of GOT2 (unknown origin)
50018063	1	ChEMBL_2262604 (CHEMBL5217615)	Inhibition of recombinant human His-tagged Keap1 kelch domain (321 to 609 residues) expressed in Escherichia coli BL21(DE3) cells to Cy5-Nrf2 (unknown origin) protein-protein interaction incubated for 10 to 15 mins by fluorescence polarization assay
50018063	2	ChEMBL_2262606 (CHEMBL5217617)	Binding affinity to Keap1 kelch domain (unknown origin) by surface plasmon resonance assay
50018063	3	ChEMBL_2262619 (CHEMBL5217630)	Inhibition of Keap1 kelch domain to Nrf2 (unknown origin) protein-protein interaction
50018064	1	ChEMBL_2262628 (CHEMBL5217639)	Inhibition of wild type his tagged Escherichia coli K12 MurA using UDP-N-acetylglucosamine as substrate preincubated with substrate for 30 mins prior to compound addition for 15 mins followed by DTT and PEP addition and measured after 30 mins by malachite green based microplate reader analysis
50018064	2	ChEMBL_2262647 (CHEMBL5217658)	Inhibition of his tagged Escherichia coli K12 MurA C115D mutant using UDP-N-acetylglucosamine as substrate in presence of DTT and PEP by microplate reader analysis
50018065	1	ChEMBL_2262650 (CHEMBL5217661)	Inhibition of recombinant human carbonic anhydrase 1 preincubated for 10 mins and measured by phenol red based stopped-flow CO2 hydration assay
50018065	2	ChEMBL_2262651 (CHEMBL5217662)	Inhibition of recombinant human carbonic anhydrase 2 preincubated for 10 mins and measured by phenol red based stopped-flow CO2 hydration assay
50018065	3	ChEMBL_2262652 (CHEMBL5217663)	Inhibition of recombinant human carbonic anhydrase 9 preincubated for 10 mins and measured by phenol red based stopped-flow CO2 hydration assay
50018065	4	ChEMBL_2262653 (CHEMBL5217664)	Inhibition of recombinant human carbonic anhydrase 12 preincubated for 10 mins and measured by phenol red based stopped-flow CO2 hydration assay
50018066	1	ChEMBL_2262712 (CHEMBL5217723)	Inhibition of Cathepsin K (unknown origin) assessed as inhibition of AFC release using sequence LR labelled with AFC as substrate by fluorescence based analysis
50018066	2	ChEMBL_2262715 (CHEMBL5217726)	Inhibition of Cathepsin S (unknown origin) assessed as inhibition of AFC release using sequence VVR labelled with AFC as substrate by fluorescence based analysis
50018066	3	ChEMBL_2262716 (CHEMBL5217727)	Inhibition of Cathepsin B (unknown origin) assessed as inhibition of AFC release using sequence RR labelled with AFC as substrate by fluorescence based analysis
50018068	1	ChEMBL_2262720 (CHEMBL5217731)	Inhibition of human complement factor D using Z-L-Lys-SBzl hydrochloride as substrate preincubated for 15 mins followed by substrate addition and measured by colorimetric method based esterolytic assay
50018071	1	ChEMBL_2262738 (CHEMBL5217749)	Inhibition of N-terminal 6His-tagged FGFR4 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50018071	2	ChEMBL_2262739 (CHEMBL5217750)	Inhibition of FGFR1 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50018071	3	ChEMBL_2262740 (CHEMBL5217751)	Inhibition of FGFR2 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50018071	4	ChEMBL_2262741 (CHEMBL5217752)	Inhibition of FGFR3 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-LYTE assay
50018071	5	ChEMBL_2262747 (CHEMBL5217758)	Inhibition of FGFR4 V550L mutant (unknown origin) expressed in Escherichia coli Rosetta2 (DE3) (NEB) cells in presence of ATP
50018071	6	ChEMBL_2262777 (CHEMBL5217788)	Inhibition of CYP3A4 in human liver microsomes using midazolam and testosterone as substrate in presence NADPH regenerating system
50018071	7	ChEMBL_2262778 (CHEMBL5217789)	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence NADPH regenerating system
50018071	8	ChEMBL_2262779 (CHEMBL5217790)	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence NADPH regenerating system
50018072	1	ChEMBL_2262795 (CHEMBL5217806)	Inhibition of NLRP3 inflammasome activation in LPS and nigericin-stimulated human PBMC cells assessed as reduction in IL-1beta release preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with nigericin for 1.5 hrs by ELISA analysis
50018072	2	ChEMBL_2262796 (CHEMBL5217807)	Inhibition of NLRP3 inflammasome activation in LPS and ATP-stimulated human whole blood assessed as reduction in IL-1beta release in plasma preincubated for 3 hrs followed by ATP stimulation and measured after 1 hr
50018072	3	ChEMBL_2262823 (CHEMBL5217834)	Inhibition of NLRC4 inflammasome activation in LPS/flagellin-treated human THP-1 cells preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with flagellin for 90 min
50018072	4	ChEMBL_2262824 (CHEMBL5217835)	Inhibition of NLRP3 induced caspase 1 activity in LPS/nigericin-treated human THP-1 cells preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with nigericin for 90 min
50018072	5	ChEMBL_2262825 (CHEMBL5217836)	Inhibition of NLRP3 induced IL-1beta release in LPS/nigericin-treated mouse BMDM cells preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with nigericin for 90 min
50018072	6	ChEMBL_2262827 (CHEMBL5217838)	Inhibition of NLRP3 inflammasome activation in LPS/nigericin stimulated human THP1-ASC-GFP cells assessed as decrease in ASC speck formation preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with nigericin by microscopic analysis
50018072	7	ChEMBL_2262828 (CHEMBL5217839)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human monocyte-derived macrophage assessed as reduction in ILbeta secretion in presence of ATP
50018072	8	ChEMBL_2262829 (CHEMBL5217840)	Inhibition of NLRP3 inflammasome activation in LPS and ATP-stimulated mouse whole blood assessed as reduction in IL-1beta release preincubated for 3 hrs followed by ATP stimulation and measured after 1 hr
50018072	9	ChEMBL_2262830 (CHEMBL5217841)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human whole blood assessed as reduction in ILbeta secretion in presence of monosodium urate
50018072	10	ChEMBL_2262831 (CHEMBL5217842)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human whole blood assessed as reduction in ILbeta secretion in presence of cholesterol crystal
50018072	11	ChEMBL_2262832 (CHEMBL5217843)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human whole blood assessed as reduction in ILbeta secretion in presence of calcium pyrophosphate dihydrate
50018072	12	ChEMBL_2262833 (CHEMBL5217844)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human monocyte-derived macrophage assessed as reduction in ILbeta secretion in presence of CHC
50018072	13	ChEMBL_2262834 (CHEMBL5217845)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human monocyte-derived macrophage assessed as reduction in IL-18 secretion in presence of ATP
50018072	14	ChEMBL_2262835 (CHEMBL5217846)	Inhibition of NLRP3 inflammasome activation in LPS-stimulated human monocyte-derived macrophage assessed as reduction in IL-18 secretion in presence of CHC
50018073	1	ChEMBL_2262853 (CHEMBL5217864)	Inhibition of CYP51 in Candida albicans ATCC SC5314 assessed as reduction in substrate consumption using lanosterol as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by HPLC analysis
50018073	2	ChEMBL_2262854 (CHEMBL5217865)	Inhibition of COX2 (unknown origin) assessed as reduction in PGF2alpha content using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50018076	1	ChEMBL_2262909 (CHEMBL5217920)	Inhibition of full-length N-terminal His-tagged human c-Abl kinase (2 to 1130 residues) expressed in baculovirus expression system using Tk-substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 40 mins by HTRF assay
50018077	1	ChEMBL_2262932 (CHEMBL5217943)	Inhibition of human NNMT measured after 20 mins by luminescence based methyltransferase assay
50018077	2	ChEMBL_2262933 (CHEMBL5217944)	Inhibition of human NNMT in human K562 cells measured after 24 hrs by quantitative mass spectrometry
50018077	3	ChEMBL_2262943 (CHEMBL5217954)	Inhibition of CYP450 (unknown origin)
50018077	4	ChEMBL_2262948 (CHEMBL5217959)	Inhibition of hERG
50018077	5	ChEMBL_2262960 (CHEMBL5217971)	Inhibition of human NNMT
50018080	1	ChEMBL_2262965 (CHEMBL5217976)	Binding affinity to KRAS G12V mutant (unknown origin) assessed as dissociation constant by HSQC NMR spectroscopy analysis
50018080	2	ChEMBL_2262966 (CHEMBL5217977)	Binding affinity to KRAS G12D mutant (unknown origin) assessed as dissociation constant by HSQC NMR spectroscopy analysis
50018080	3	ChEMBL_2262969 (CHEMBL5217980)	Binding affinity to KRAS G12C mutant (unknown origin) assessed as inhibition constant incubated for 24 hrs by LC-MS analysis
50018083	1	ChEMBL_2262983 (CHEMBL5217994)	Inhibition of full-length P300 (unknown origin) using ARTKQTARKSTGGKAPRKQLAGG-K(Biotin)-amide as substrate preincubated for 60 mins followed by substrate addition and measured by RapdiFire-MS/MS analysis
50018083	2	ChEMBL_2262984 (CHEMBL5217995)	Inhibition of full-length P300 (1 to 2414 residues) (unknown origin) using ARTKQTARKSTGGKAPRKQLAGG-K(Biotin)-amide as substrate preincubated for 60 mins followed by substrate addition and measured by scintillation proximity assay
50018083	3	ChEMBL_2262985 (CHEMBL5217996)	Inhibition of CBP/p300 in human COLO 320HSR cells assessed as reduction of C-myc levels measured after 24 hrs by HTRF assay
50018084	1	ChEMBL_2263018 (CHEMBL5218029)	Inhibition of 15-PGDH (unknown origin) using NAD as substrate measured for 3.5 mins
50018084	2	ChEMBL_2263055 (CHEMBL5218066)	Inhibition of 15-PGDH (unknown origin) using PGE2 as substrate
50018084	3	ChEMBL_2263067 (CHEMBL5218078)	Inhibition of acetylcholinesterase (unknown origin)
50018084	4	ChEMBL_2263068 (CHEMBL5218079)	Inhibition of PDE4D2 (unknown origin)
50018084	5	ChEMBL_2263072 (CHEMBL5218083)	Binding affinity to 15-PGDH (unknown origin) assessed as inhibition constant
50018087	1	ChEMBL_2263076 (CHEMBL5218087)	Inhibition of human ADCY10
50018087	2	ChEMBL_2263077 (CHEMBL5218088)	Inhibition of human ADCY10 assessed as cAMP accumulation preincubated for 15 mins followed by substrate addition using alpha-32P labelled ATP as substrate by sequential chromatographic analysis
50018087	3	ChEMBL_2263079 (CHEMBL5218090)	Inhibition of rat ADCY10 overexpressed in rat 4-4 cells assessed as IBMX stimulated cAMP accumulation preincubated for 10 mins followed by IBMX stimulation and measured after 5 mins by ELISA
50018087	4	ChEMBL_2263080 (CHEMBL5218091)	Binding affinity to human recombinant His-tagged ADCY10 assessed as dissociation constant and measured for 600 sec by SPR analysis
50018089	1	ChEMBL_2263121 (CHEMBL5218132)	Binding affinity to PRMT5/MEP50 (unknown origin) assessed as dissociation constant by FITC- Competitive binding assay
50018089	2	ChEMBL_2263122 (CHEMBL5218133)	Binding affinity to PRMT5/MEP50 (unknown origin) assessed as inhibition constant by FITC- Competitive binding assay
50018089	3	ChEMBL_2263123 (CHEMBL5218134)	Inhibition of PRMT5/MEP50 (unknown origin) incubated for 1 to 2 hrs in presence of tracer 21 by competitive fluorescence polarization assay
50018089	4	ChEMBL_2263135 (CHEMBL5218146)	Inhibition of PRMT5/MEP50 (unknown origin) incubated for 1 to 2 hrs in presence of tracer 50 by competitive fluorescence polarization assay
50018092	1	ChEMBL_2263137 (CHEMBL5218148)	Inhibition of BRD4 BD2 (unknown origin) measured by TR-FRET assay
50018092	2	ChEMBL_2263138 (CHEMBL5218149)	Inhibition of BRD4 BD1 (unknown origin) measured by TR-FRET assay
50018092	3	ChEMBL_2263139 (CHEMBL5218150)	Inhibition of MCP-1 in LPS-stimulated human whole blood incubate for 24 hrs by immuno assay
50018092	4	ChEMBL_2263141 (CHEMBL5218152)	Inhibition of CYP3A4 (unknown origin)
50018092	5	ChEMBL_2263143 (CHEMBL5218154)	Inhibition of hERG
50018092	6	ChEMBL_2263179 (CHEMBL5218190)	Binding affinity to human TRIM24 bromodomain by BROMOscan method
50018093	1	ChEMBL_2263228 (CHEMBL5218239)	Inhibition of N-terminal His-tagged recombinant human PTP1B expressed in Escherichia coli
50018093	2	ChEMBL_2263229 (CHEMBL5218240)	Inhibition of recombinant human TCPTP (1 to 314 residues) expressed in baculovirus-insect cells
50018093	3	ChEMBL_2263233 (CHEMBL5218244)	Mixed type inhibition of N-terminal His-tagged recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 15 mins by Dixon plot analysis
50018094	1	ChEMBL_2263410 (CHEMBL5218421)	Binding affinity to PPARalpha (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50018094	2	ChEMBL_2263411 (CHEMBL5218422)	Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50018094	3	ChEMBL_2263412 (CHEMBL5218423)	Binding affinity to PPARdelta (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50018094	4	ChEMBL_2263414 (CHEMBL5218425)	Partial agonist activity at PPARalpha (unknown origin) assessed as increase in PRIP/RAP250 coactivator peptide requirement by Lanthascreen TR-FRET assay
50018094	5	ChEMBL_2263415 (CHEMBL5218426)	Partial agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled PRIP/RAP250 coactivator peptide requirement by Lanthascreen TR-FRET assay
50018094	6	ChEMBL_2263421 (CHEMBL5218432)	Partial agonist activity at PPARdelta (unknown origin) assessed as increase in fluorescein labeled PRIP/RAP250 coactivator peptide requirement by Lanthascreen TR-FRET assay
50018094	7	ChEMBL_2263423 (CHEMBL5218434)	Agonist activity at RXRalpha-LBD (unknown origin) assessed as transactivation by measuring increase in fluorescein-labelled coactivator PGC-1alpha peptide recruitment by Lanthascreen TR-FRET
50018299	3	ChEMBL_2269138	Inhibition of human GAL4-fused RORgammat LBD transfected in HEK293T cell measured for 16 to 20 hrs by by dual-glo luciferase assay
50018299	4	ChEMBL_2269139	Inhibition of human GAL4-fused RORalpha LBD transfected in HEK293T cell measured for 16 to 20 hrs by by dual-glo luciferase assay
50018299	5	ChEMBL_2269140	Inhibition of human GAL4-fused RORbeta LBD transfected in HEK293T cell measured for 16 to 20 hrs by by dual-glo luciferase assay
50018300	1	ChEMBL_2269168	Binding affinity to human Menin
50018302	1	ChEMBL_2269219	Inhibition of Botulinum neurotoxins/A
50018302	2	ChEMBL_2269220	Inhibition of Botulinum neurotoxins/F
50018302	3	ChEMBL_2269229	Inhibition of human MetAP1
50018302	4	ChEMBL_2269230	Inhibition of human MetAP2
50018306	1	ChEMBL_2269244	Inhibition of human ALKBH3 using ss-m1A DNA as substrate by HPLC analysis
50018306	2	ChEMBL_2269245	Inhibition of N-terminal His-tagged human full length ALKBH2 expressed in Escherichia coli
50018306	3	ChEMBL_2269247	Inhibition of Escherichia coli AlkB using 15-mer m1A-ssDNA as substrate incubated for 10 mins by HPLC analysis
50018306	4	ChEMBL_2269248	Inhibition of human full length FTO expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells using 3-methylthymidine as substrate incubated for 1 hr by HPLC analysis
50018306	5	ChEMBL_2269249	Inhibition of human ALKBH2 (56 to 258 residues) expressed in Escherichia coli BL21 (DE3) cells using 15-mer m1A-ssDNA as substrate incubated for 10 mins by HPLC analysis
50018306	6	ChEMBL_2269250	Inhibition of N-terminal His-tagged human ALKBH3 (1 to 286 residues) using m6A-ssDNA as substrate incubated for 30 mins by MALDI-TOF-MS analysis
50018306	7	ChEMBL_2269251	Inhibition of human ALKBH5 expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells using 5-mer m6A-ssRNA as substrate incubated for 30 mins by HPLC analysis
50018306	8	ChEMBL_2269252	Inhibition of ALKBH5 (unknown origin)
50018306	9	ChEMBL_2269253	Inhibition of FTO (unknown origin)
50018306	10	ChEMBL_2269254	Inhibition of N-terminal His-tagged recombinant human ALKBH5 catalytic AlkB domain (74 to 294 residues) transfected in Escherichia coli BL21-V2R-pRARE2 using 5-mer ssRNA (GGm6ACU) as substrate incubated for 7 mins by MALDI-TOF mass spectrometry analysis
50018306	11	ChEMBL_2269255	Inhibition of recombinant human ALKBH5 catalytic AlkB domain (74 to 294 residues) transfected in Escherichia coli BL21 (DE3) using 8-mer m6A-ssDNA as substrate incubated for 30 mins followed by substrate addition and measured after 3 hrs by HPLC analysis
50018306	12	ChEMBL_2269256	Inhibition of human FIH expressed in H5 insect cells
50018306	13	ChEMBL_2269257	Inhibition of human PHD1 expressed in H5 insect cells
50018306	14	ChEMBL_2269258	Inhibition of human PHD2 expressed in H5 insect cells
50018306	15	ChEMBL_2269259	Inhibition of human PHD3 expressed in H5 insect cells
50018306	16	ChEMBL_2269260	Inhibition of N-terminal His-tagged human FIH expressed in Escherichia coli
50018306	17	ChEMBL_2269261	Inhibition of N-terminal His-tagged human PHD2 catalytic domain (181 to 426 residues) expressed in Escherichia coli
50018306	18	ChEMBL_2269263	Inhibition of FIH (unknown origin)
50018306	19	ChEMBL_2269264	Inhibition of PHD2 (unknown origin)
50018306	20	ChEMBL_2269265	Inhibition of KDM2A (unknown origin)
50018306	21	ChEMBL_2269266	Inhibition of KDM4E (unknown origin)
50018306	22	ChEMBL_2269267	Inhibition of PHF8 (unknown origin)
50018306	23	ChEMBL_2269268	Inhibition of BBOX1 (unknown origin)
50018306	24	ChEMBL_2269269	Inhibition of N-terminal truncated PHD2 (unknown origin) by luminescence based assay
50018306	25	ChEMBL_2269270	Inhibition of C-terminal MYC/DDK tagged full length human PHD2 using 19 mer peptide substrate DLDLEMLAPYIPMDDDFQL incubated for 30 mins by MALDI-based assay
50018306	26	ChEMBL_2269271	Inhibition of human KDM4A expressed in Escherichia coli BL21 (DE3) rosetta T1R cells using ARK(me3)STGGK as substrate incubated for 30 mins by MALDI-TOF-MS analysis
50018306	27	ChEMBL_2269277	Inhibition of Escherichia coli AlkB DNA repair activity using 1-methyladenine with GC-1meA-AGGTCCCGTAGTGCG sequence as substrate by FDH coupled assay
50018306	28	ChEMBL_2269278	Inhibition of human ALKBH5 (74 to 294 residues) expressed in Escherichia coli BL21(DE3) V2R-pRARE cells using biotin labeled m6A-ss-RNA with UACACUCGAUCUGG(m6A)CUAAAGCUGCUC sequence as substrate incubated for 1 hr by TopCount scintillation counting method
50018306	29	ChEMBL_2269280	Inhibition of full length human FTO (1 to 505 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50018306	30	ChEMBL_2269281	Inhibition of human ALKBH2 (56 to 258 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50018306	31	ChEMBL_2269282	Inhibition of human ALKBH3 expressed in Escherichia coli BL21 (DE3) Rosetta cells
50018306	32	ChEMBL_2269283	Inhibition of N-terminal truncated human ALKBH5 (66 to 292 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells
50018306	33	ChEMBL_2269284	Displacement of ssDNA with ATTGTCA (m6A) CAGCAGA-FAM from human FTO measured after 30 mins by fluorescence polarization assay
50018306	34	ChEMBL_2269285	Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RNA as substrate incubated for 3 mins under shaking condition and measured after 2 hrs by fluorescence based analysis
50018306	35	ChEMBL_2269286	Inhibition of Escherichia coli AlkB by HPLC analysis
50018306	36	ChEMBL_2269287	Inhibition of N-terminal 31 residues truncated His-tagged human FTO demethylase activity expressed in Escherichia coli BL21(DE3) cells
50018306	37	ChEMBL_2269288	Inhibition of human ALKBH2 by HPLC analysis
50018306	38	ChEMBL_2269289	Inhibition of human ALKBH3 by HPLC analysis
50018306	39	ChEMBL_2269290	Inhibition of human ALKBH2 demethylase activity by restriction endonuclease digestion assay
50018306	40	ChEMBL_2269291	Inhibition of human ALKBH3 demethylase activity by restriction endonuclease digestion assay
50018306	41	ChEMBL_2269292	Inhibition of N-terminal His-tagged human ALKBH5 (66 to 292 residues)
50018306	42	ChEMBL_2269293	Inhibition of N-terminal 31 residues truncated FTO (unknown origin) demethylase activity using m6A containing ssRNA as substrate incubated for 1 hr by LC-MS analysis
50018306	43	ChEMBL_2269294	Inhibition of human ALKBH5 (66 to 292 residues) demethylase activity using 49 nt methylated ssDNA as substrate incubated for 2 hrs by GelRed staining based restriction endonuclease digestion assay
50018306	44	ChEMBL_2269296	Inhibition of human FTO (31 to 505 residues) demethylase activity using 15-mer ssRNA with CUUGUCA(m6A)CAGCAGA sequence as substrate incubated for 0.5 hrs by LC-MS/MS analysis
50018306	45	ChEMBL_2269297	Inhibition of FTO (unknown origin) demethylation activity
50018306	46	ChEMBL_2269299	Inhibition of ALKBH3 (unknown origin) using 3-methyl cytosine oligo DNA as substrate incubated for 1 hr by SYBR green dye based RT-PCR analysis
50018306	47	ChEMBL_2269301	Inhibition of Escherichia coli AlkB-mediated demethylation using 40-mer single N3-meC containing ssDNA as substrate preincubated for 1 hr followed by substrate addition by fluorescence based assay
50018306	48	ChEMBL_2269302	Inhibition of FTO (unknown origin) using DNA containing m6A (ATTGTCA(m6A)CAGCAGC) as substrate incubated for 15 mins
50018306	49	ChEMBL_2269303	Inhibition of FTO (unknown origin)-mediated demethylation activity using 15-mer ssRNA with CUUGUCA(m6A)CAGCAGA sequence as substrate by reverse phase high-performance liquid chromatography
50018306	50	ChEMBL_2269305	Inhibition of recombinant ALKBH5 (unknown origin) mediated demethylase activity using methylated N6-adenine RNA probe with CUUGUCAm6ACAGCAGA sequence as substrate incubated for 2 hrs
50018307	1	ChEMBL_2269351	Antagonist activity at human LRH-1
50018307	2	ChEMBL_2269352	Binding affinity to human LRH-1
50018307	3	ChEMBL_2269354	Agonist activity at human full length LRH1 transfected in human HeLa cells
50018307	4	ChEMBL_2269356	Inhibition of full length LRH1 transfected in HEK293T cells incubated for 20 hrs by luciferase reporter assay
50018307	5	ChEMBL_2269359	Antagonist activity at human recombinant LRH-1 LBD (91 to 541 residues)
50018308	1	ChEMBL_2269367	Inhibition of RyR2 in Casq2 gene knockout mouse cardiomyocytes assessed as reduction in calcium sparks frequency incubated for 30 mins
50018309	1	ChEMBL_2269370	Inhibition of Mycobacterium tuberculosis recombinant PknB (1 to 331 residues) expressed in Escherichia coli BL21-Rosetta cells using GarA and ATP as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 1 hr by ATP-competitive biochemical assay
50018309	2	ChEMBL_2269371	Binding affinity to Mycobacterium tuberculosis recombinant N-terminal His-tagged PknB (1 to 331 residues) expressed in Escherichia coli DH5alpha cells by microscale thermophoresis analysis
50018309	3	ChEMBL_2269372	Inhibition of human Cdk2/Cyclin A using Myelin basic protein as substrate by ATP competitive assay
50018309	4	ChEMBL_2269373	Binding affinity to Mycobacterium tuberculosis partial length PknB (M1 to G279 residues) expressed in mammalian expression system by KdELECT kinase assay
50018309	5	ChEMBL_2269374	Binding affinity to human full length CDK4 (M1 to E303 residues) expressed in mammalian expression system/CyclinD3 by KdELECT kinase assay
50018309	6	ChEMBL_2269375	Binding affinity to human full length GSK-3 beta (M1 to T433 residues) expressed in mammalian expression system by KdELECT kinase assay
50018309	7	ChEMBL_2269376	Binding affinity to human partial length mTOR (L1382 to W2549 residues) expressed in mammalian expression system by KdELECT kinase assay
50018309	8	ChEMBL_2269377	Binding affinity to human partial length Pim1 (A15 to K313 residues ) expressed in bacterial expression system by KdELECT kinase assay
50018310	1	ChEMBL_2269388	Inhibition of human recombinant ADAM8 using PepDAB13 as substrate preincubated with enzyme for 45 mins followed by substrate addition and measured for 6 hrs by fluorometric assay
50018310	2	ChEMBL_2269389	Inhibition of recombinant ADAM17 (unknown origin) using PepDAB13 as substrate preincubated with enzyme for 45 mins followed by substrate addition and measured for 6 hrs by fluorometric assay
50018310	3	ChEMBL_2269390	Inhibition of MMP-1 in human Rheumatoid Synovial fibroblasts using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	4	ChEMBL_2269391	Inhibition of human recombinant MMP-2 expressed in mouse cells using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	5	ChEMBL_2269392	Inhibition of human recombinant MMP-9 expressed in CHO cells using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	6	ChEMBL_2269393	Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	7	ChEMBL_2269394	Inhibition of human recombinant MMP14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 3 hrs followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	8	ChEMBL_2269395	Inhibition of human recombinant ADAM10 expressed in baculovorus-infected Sf21 cells using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured every 10 secs for 15 mins by fluorescence based analysis
50018310	9	ChEMBL_2269397	Inhibition of ADAM8 (unknown origin) expressed in HEK293 cells assessed as inhibition of CD23 shedding by measuring reduction of soluble CD23 release in cell supernatants incubated for 24 hrs by ELISA
50018311	1	ChEMBL_2269401	Inhibition of SENP1 (unknown origin)
50018311	2	ChEMBL_2269402	Inhibition of human recombinant SENP1 catalytic domain expressed in Escherichia coli BL21 (DE3) using SUMO1-AMC as substrate incubated for 10 mins followed by substrate addition by fluorescence based analysis
50018311	3	ChEMBL_2269403	Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in Escherichia coli BL21 (DE3) using SUMO1-AMC as substrate incubated for 15 mins followed by substrate addition by fluorescence based analysis
50018311	4	ChEMBL_2269404	Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in Escherichia coli BL21 (DE3) using SUMO2-AMC as substrate incubated for 15 mins followed by substrate addition by fluorescence based analysis
50018311	5	ChEMBL_2269405	Inhibition of human recombinant His6 tagged SENP1 catalytic domain expressed in Escherichia coli BL21 (DE3) using SUMO3-AMC as substrate incubated for 15 mins followed by substrate addition by fluorescence based analysis
50018311	6	ChEMBL_2269406	Inhibition of human SENP1
50018311	7	ChEMBL_2269408	Inhibition of SENP2 (unknown origin)
50018311	8	ChEMBL_2269409	Inhibition of SENP3 (unknown origin)
50018311	9	ChEMBL_2269410	Inhibition of human SENP1 catalytic domain assessed as reduction in deSUMOylation of RanGAP1-SUMO2 using RanGAP1-SUMO2 as substrate by fluorescence based analysis
50018311	10	ChEMBL_2269411	Inhibition of human full-length recombinant SENP1
50018314	1	ChEMBL_2269419	Inhibition of alpha2beta1 integrin-mediated cell adhesion to type 1 collagen in human platelets incubated for 30 mins in presence of ADP by microplate reader analysis
50018314	2	ChEMBL_2269420	Inhibition of ACE (unknown origin)
50018314	3	ChEMBL_2269421	Inhibition of HIV1 protease
50018314	4	ChEMBL_2269426	Inhibition of DPP4 (unknown origin)
50018314	5	ChEMBL_2269445	Inhibition of human NTR1
50018314	6	ChEMBL_2269446	Inhibition of human NTR2
50018314	7	ChEMBL_2269447	Inhibition of ACE (unknown origin) using tripeptide Hip-His-Leu-OH as substrate incubated for 4 mins by fluorimetric method
50018314	8	ChEMBL_2269448	Inhibition of POP (unknown origin)
50018314	9	ChEMBL_2269449	Displacement of [I125I]AngII form AT1 receptor in rat liver membrane incubated for 1.5 hrs by gamma counting method
50018314	10	ChEMBL_2269450	Displacement of [I125I]AngII form AT2 receptor in rat liver membrane incubated for 1.5 hrs by gamma counting method
50018315	1	ChEMBL_2269557	Agonist activity at PPARgamma in human BMMSC cells assessed as promotion of adiponectin secretion by measuring increase in adiponectin level in presence of IDX medium by ELISA
50018315	2	ChEMBL_2269565	Displacement of fluormone pan-PPARgreen from GST-tagged human PPARgamma ligand binding domain by LanthaScreen TR-FRET competitive binding assay
50018315	3	ChEMBL_2269569	Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled SRC1 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	4	ChEMBL_2269570	Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled SRC3 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	5	ChEMBL_2269571	Agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled PRIP/RAP250 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	6	ChEMBL_2269573	Partial agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled SRC1 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	7	ChEMBL_2269574	Partial agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled SRC3 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	8	ChEMBL_2269575	Partial agonist activity at GST-tagged PPAR-gamma ligand binding domain (unknown origin) assessed as recruitment of fluorescein-labeled PRIP/RAP250 coactivator peptide by LanthaScreen TR-FRET Coactivator assay
50018315	9	ChEMBL_2269578	Partial agonist activity at PPARgamma in human BMMSC cells assessed as promotion of adiponectin secretion by measuring increase in adiponectin level in presence of IDX medium by ELISA
50018317	1	ChEMBL_2269654	Agonist activity at SMO receptor (unknown origin)
50018318	1	ChEMBL_2269659	Inhibition of OCT1(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT1 using ASP+ as substrate incubated for 5 mins
50018318	2	ChEMBL_2269660	Inhibition of OCT2(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT2 using ASP+ as substrate incubated for 5 mins
50018321	1	ChEMBL_2269885	Inhibition of human URAT1-mediated [8-14C]uric acid uptake expressed in HEK293 cells using [8-14C]uric acid as substrate by liquid scintillation counter analysis
50018324	1	ChEMBL_2269992	Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expressed in Escherichia coli RIL cells using 5-FAM-AVLQSGFR-Lys-(Dabcyl)-K-amide as substrate assessed as substrate cleavage preincubated for 30 mins followed by substrate addition and measured every 30 sec for 60 cycles by FRET based assay
50018324	2	ChEMBL_2269995	Inhibition of His tagged SARS-CoV-2 PLpro using Z-RLRGG-AMC as substrate assessed as substrate cleavage preincubated for 60 mins followed by substrate addition and measured every 3 mins for 72 mins by fluorescence based assay
50018324	3	ChEMBL_2269998	Inhibition of SARS-CoV-2 MPro
50018324	4	ChEMBL_2269999	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorescence based assay
50018325	1	ChEMBL_2270281	Inhibition of HIV-1 protease assessed as inhibition
50018325	2	ChEMBL_2270290	Antagonist activity at integrin CD11B/CD18 (unknown origin)
50018325	3	ChEMBL_2270292	Binding affinity to ASBT (unknown origin) assessed as inhibition constant
50018325	4	ChEMBL_2270293	Binding affinity to NTCP (unknown origin) assessed as inhibition constant
50018327	1	ChEMBL_2270298	Inhibition of HDAC1 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	2	ChEMBL_2270299	Inhibition of HDAC6 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	3	ChEMBL_2270300	Inhibition of HDAC8 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	4	ChEMBL_2270303	Inhibition of HDAC1 (unknown origin)
50018327	5	ChEMBL_2270304	Inhibition of HDAC6 (unknown origin)
50018327	6	ChEMBL_2270305	Inhibition of HDAC8 (unknown origin)
50018327	7	ChEMBL_2270306	Inhibition of HDAC2 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	8	ChEMBL_2270307	Inhibition of HDAC3 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	9	ChEMBL_2270308	Inhibition of HDAC4 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	10	ChEMBL_2270309	Inhibition of HDAC5 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	11	ChEMBL_2270310	Inhibition of HDAC7 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	12	ChEMBL_2270311	Inhibition of HDAC9 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	13	ChEMBL_2270312	Inhibition of HDAC10 (unknown origin) incubated for 1 hr by TR-FRET analysis
50018327	14	ChEMBL_2270313	Inhibition of HDAC11 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50018327	15	ChEMBL_2270392	Binding affinity to HDAC8 (unknown origin) assessed as dissociation constant by ITC analysis
50018328	1	ChEMBL_2270426	Binding affinity to CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by competitive binding assay method
50018328	2	ChEMBL_2270427	Antagonist activity at CXCR4 receptor in SDF-1alpha-stimulated human SUP-T1 cells incubated for 30 mins by calcium mobilization assay
50018328	3	ChEMBL_2270428	Inhibition of SDF-1 alpha induced cell migration in human SUP-T1 cells pre-incubated for 30 mins followed by SDF-1 alpha addition measured after 3 hrs by cell Titer-96 reagent based analysis
50018330	1	ChEMBL_2270466	Inhibition of SARS-COV2 S-RBD binding to human ACE2 expressed in HEK293T cells by NanoLuc luciferase assay
50018330	2	ChEMBL_2270467	Inhibition of human recombinant ACE2 at 50 uM using (7Mca-Y-V-A- D -A-P- K(Knp) as a flurogenic substrate measured after 10 mins by fluorescence based analysis
50018330	3	ChEMBL_2270468	Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysis
50018330	4	ChEMBL_2270469	Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as substrate incubated for 30 mins by fluorometric assay
50018330	5	ChEMBL_2270470	Inhibition of ABL2 (unknown origin) by Nano-syn mobility shift assay
50018330	6	ChEMBL_2270473	Inhibition of human recombinant ACE2
50018330	7	ChEMBL_2270474	Inhibition of SARS-CoV S binding to human recombinant ACE2 expressed in Escherichia coli BL21(DE3) incubated for 2 hrs by ELISA method
50018330	8	ChEMBL_2270475	Inhibition of human wild type full length ACE2 peptide assessed as inhibition
50018330	9	ChEMBL_2270477	Binding affinity of SARS-COV2 S-RBD by BLI assay
50018330	10	ChEMBL_2270481	Inhibition of human ACE2 (unknown origin) at 0.5 uM
50018330	11	ChEMBL_2270482	Binding affinity to ACE2 (unknown origin) at 10 uM assessed as inhibition constant
50018330	12	ChEMBL_2270489	Binding affinity to SARS-COV-2 spike protein S2 subunit assessed as inhibition S2 subunit HR1 assessed as dissociation constant
50018331	1	ChEMBL_2270528	Inhibition of FLT3-ITD mutant phosphorylation in human MV4-11 cell incubated for 2 hrs
50018331	2	ChEMBL_2270529	Inhibition of wild type FLT3 (unknown origin) phosphorylation in human RS4-11 cells
50018331	3	ChEMBL_2270532	Inhibition of FLT3-ITD mutant phosphorylation in human HEK-293T cells incubated for 2 hrs
50018331	4	ChEMBL_2270533	Inhibition of FLT3-ITD mutant (unknown origin)
50018331	5	ChEMBL_2270534	Inhibition of FLT3 D835Y mutant (unknown origin)
50018331	6	ChEMBL_2270535	Inhibition of JAK2 (unknown origin) in presence of ATP
50018331	7	ChEMBL_2270536	Inhibition of FLT3 D835H mutant (unknown origin)
50018331	8	ChEMBL_2270538	Inhibition of wild type FLT3 (unknown origin)
50018331	9	ChEMBL_2270542	Inhibition of wild type FLT3 (unknown origin) phosphorylation in human SEMK2 cells
50018331	10	ChEMBL_2270544	Inhibition of FLT3 D835H mutant (unknown origin) phosphorylation in mouse BaF3 cells
50018331	11	ChEMBL_2270545	Inhibition of FLT3 D835Y mutant (unknown origin) phosphorylation in mouse BaF3 cells
50018331	12	ChEMBL_2270554	Inhibition of FLT3 (unknown origin)
50018331	13	ChEMBL_2270555	Inhibition of Aurora-A (unknown origin) by kinase-glo luminescent assay
50018331	14	ChEMBL_2270556	Inhibition of Aurora-B (unknown origin) by kinase-glo luminescent assay
50018331	15	ChEMBL_2270558	Inhibition of FLT3 (unknown origin) autophosphorylation expressed in human Leukemia cells
50018331	16	ChEMBL_2270559	Inhibition of Aurora-A (unknown origin)
50018331	17	ChEMBL_2270560	Inhibition of FLT3 (unknown origin) by ADP-Glo kinase assay
50018331	18	ChEMBL_2270563	Inhibition of FLT3-ITD mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition
50018331	19	ChEMBL_2270566	Inhibition of Src (unknown origin)
50018331	20	ChEMBL_2270569	Inhibition of FLT3-ITD mutant phosphorylation in human MOLM-14 cell incubated for 2 hrs
50018331	21	ChEMBL_2270570	Inhibition of FLT3-D835Y mutant phosphorylation in human MOLM-14 cell incubated for 2 hrs
50018331	22	ChEMBL_2270572	Inhibition of FLT3-D835Y mutant (unknown origin)
50018331	23	ChEMBL_2270577	Binding affinity to human FLT3 assessed as dissociation constant
50018331	24	ChEMBL_2270578	Binding affinity to human FLT3 assessed as inhibition constant
50018331	25	ChEMBL_2270579	Binding affinity MNK2 (unknown origin) assessed as inhibition constant
50018333	1	ChEMBL_2270583	Binding affinity to human KEAP1 Kelch domain by SPR direct binding assay
50018333	2	ChEMBL_2270584	Inhibition of human Keap1-Nrf2 protein-protein interaction expressed in U2OS cells incubated for 6 hrs by cellular Keap1-Nrf2 functional assay
50018333	3	ChEMBL_2270585	Inhibition of human Keap1-Nrf2 protein-protein interaction by ELISA method
50018333	4	ChEMBL_2270586	Inhibition of human KEAP1 incubated for 60 mins by TR-FRET assay
50018333	5	ChEMBL_2270587	Binding affinity to human KEAP1 by SPR direct binding assay
50018333	6	ChEMBL_2270588	Binding affinity to human KEAP1 Kelch domain (residues Ala321-Thr609) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by SPR direct binding assay
50018333	7	ChEMBL_2270589	Binding affinity to human KEAP1 Kelch domain (residues Ala321-Thr609) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by isothermal titration calorimetric analysis
50018333	8	ChEMBL_2270590	Inhibition of human KEAP1 by fluorescence polarization assay
50018333	9	ChEMBL_2270591	Binding affinity to human KEAP1 by isothermal titration calorimetric assay
50018333	10	ChEMBL_2270592	Inhibition of human Keap1-Nrf2 protein-protein interaction by fluorescence polarization assay
50018333	11	ChEMBL_2270593	Binding affinity to human KEAP1 by fluorescence polarization assay
50018333	12	ChEMBL_2270594	Binding affinity to human KEAP1 incubated for 1 hr by absorbance based analysis
50018333	13	ChEMBL_2270595	Inhibition of human Keap1-Nrf2 protein-protein interaction
50018333	14	ChEMBL_2270596	Binding affinity to human KEAP1
50018333	15	ChEMBL_2270597	Binding affinity to human KEAP1 by fluorescence based assay
50018333	16	ChEMBL_2270598	Binding affinity to human KEAP1 by fluorescence anisotropy assay
50018336	1	ChEMBL_2270616	Inhibition of PFKFB3 (unknown origin) by ADP-Glo luminescent assay
50018336	2	ChEMBL_2270619	Inhibition of PFKFB3 (unknown origin)
50018336	3	ChEMBL_2270626	Inhibition of PFKFB3 in human Jurkat cells incubated for 3 hrs
50018336	4	ChEMBL_2270627	Inhibition of PFKFB3 (unknown origin) incubated for 90 mins by ADP-Glo luminescent assay
50018336	5	ChEMBL_2270628	Inhibition of PFKFB3 in human HCT-116 cells assessed as inhibition of glucose induced lactate production by absorbance based analysis
50018336	6	ChEMBL_2270629	Inhibition of human recombinant His-tagged PFKFB3 expressed in Escherichia coli using Fructose-6-phosphate incubated for 2 hrs in presence of ATP by ADP-Glo assay
50018336	7	ChEMBL_2270630	Inhibition of PFKFB3 in human NUGC-3 cells assessed as reduction in Fructose-2,6-Bisphosphate production
50018336	8	ChEMBL_2270631	Inhibition of PFKFB3 in human MIA PaCa-2 cells assessed as reduction in Fructose-2,6-Bisphosphate production
50018336	9	ChEMBL_2270632	Inhibition of PFKFB3 (unknown origin) pre-incubated for 15 mins measured after 20 mins in presence of ATP by ADP-Glo luminescent assay
50018336	10	ChEMBL_2270633	Inhibition of PFKFB3 in human PANC-1 cells assessed as reduction in Fructose-2,6-Bisphosphate production
50018336	11	ChEMBL_2270636	Inhibition of PFKFB3 in human HCT-116 cells assessed as reduction in Fructose-2,6-Bisphosphate production
50018336	12	ChEMBL_2270637	Binding affinity to PFKFB3 (unknown origin)
50018336	13	ChEMBL_2270642	Inhibition of full-length human PFKFB3 (1 to 520 residues) incubated for 2 hrs in presence of ATP by ADP-Glo assay
50018336	14	ChEMBL_2270666	Inhibition of PFKFB3 (unknown origin) by UV-vis spectrophotometry
50018338	1	ChEMBL_2270673	Inhibition of EGFR (unknown origin)
50018338	2	ChEMBL_2270684	Inhibition of human recombinant HDAC4 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50018338	3	ChEMBL_2270706	Inhibition of PI3Kalpha (unknown origin)
50018339	1	ChEMBL_2270712	Inhibition of Wee1 (unknown origin)
50018339	2	ChEMBL_2270713	Inhibition of c-Src (unknown origin)
50018339	3	ChEMBL_2270714	Inhibition of recombinant human Wee1 incubated for 30 mins by liquid scintillation counter method
50018339	4	ChEMBL_2270715	Inhibition of recombinant Wee1 (unknown origin) incubated for 1 hr by TR-FRET assay
50018339	5	ChEMBL_2270716	Inhibition of recombinant Wee1 (unknown origin) by TR-FRET assay
50018339	6	ChEMBL_2270717	Inhibition of human full length N-terminal GST tagged Wee1 expressed in E coli
50018339	7	ChEMBL_2270718	Binding affinity to Wee1 (unknown origin) assessed as dissociation constant
50018339	8	ChEMBL_2270719	Inhibition of CHK1 (unknown origin)
50018340	1	ChEMBL_2270743	Inhibition of DNA polymerase alpha (unknown origin)
50018340	2	ChEMBL_2270745	Inhibition of human neutrophil elastase activity assessed as reduction in superoxide anion generation
50018340	3	ChEMBL_2270746	Inhibition of human neutrophil elastase activity assessed as reduction in elastase release
50018341	1	ChEMBL_2270747	Inhibition of CDK1 (unknown origin)
50018341	2	ChEMBL_2270748	Inhibition of CDK2 (unknown origin)
50018341	3	ChEMBL_2270749	Inhibition of CDK4 (unknown origin)
50018341	4	ChEMBL_2270750	Inhibition of CDK6 (unknown origin)
50018341	5	ChEMBL_2270751	Inhibition of CDK9 (unknown origin)
50018341	6	ChEMBL_2270752	Inhibition of CDK5 (unknown origin)
50018341	7	ChEMBL_2270753	Inhibition of CDK7 (unknown origin)
50018341	8	ChEMBL_2270756	Inhibition of CDK8 (unknown origin)
50018341	9	ChEMBL_2270757	Inhibition of CDK19/Cyclin C (unknown origin)
50018341	10	ChEMBL_2270758	Inhibition of CDK7/Cyclin H/MNAT1 (unknown origin) using 5-FAM-YSPTSPSYSPTSPSYSPTSPSKKK as substrate in presence of ATP by spectroscopic analysis
50018341	11	ChEMBL_2270765	Inhibition of CDK2/Cyclin A2 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-Glo Plus luminescence kinase assay
50018341	12	ChEMBL_2270767	Inhibition of CDK1 (unknown origin) assessed as inhibition constant
50018341	13	ChEMBL_2270769	Inhibition of CDK9/cyclin T1 (unknown origin) assessed as inhibition constant
50018341	14	ChEMBL_2270770	Inhibition of CDK2/cyclin E1 (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo luminescent Kinase Assay
50018341	15	ChEMBL_2270773	Inhibition of human CDK2 using TMB as substrate preincubated for 210 mins followed by substrate addition and measured after 15 to 25 mins by spectrophotometric analysis
50018341	16	ChEMBL_2270775	Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of ATP by microplate reader analysis
50018341	17	ChEMBL_2270778	Inhibition of CDK2/cyclin A2 (unknown origin) using histone as substrate in presence of ATP by luminescent ADP detection assay
50018341	18	ChEMBL_2270779	Inhibition of CDK2/cyclin A2 (unknown origin) expressed in baculovirus expression system incubated for 1 hr using Ser/Thr12 Peptide as substrate in presence of ATP by Z-LYTE kinase assay
50018341	19	ChEMBL_2270783	Inhibition of CDK2 (unknown origin) incubated for 10 min using histone H1 as substrate in presence of gamma32P-ATP by radioactive assay
50018341	20	ChEMBL_2270789	Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells using histone H1 as substrate in presence of gamma32P-ATP by scintillation counter analysis
50018341	21	ChEMBL_2270790	Inhibition of CDK2/Cyclin A (unknown origin) incubated for 15 mins using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate in presence of ATP by microplate reader analysis
50018341	22	ChEMBL_2270791	Inhibition of CDK9/Cyclin T1 (unknown origin) incubated for 90 mins using Ulight-CFFKNIVTPRTPPPSQGK-amide as substrate in presence of ATP by microplate reader analysis
50018341	23	ChEMBL_2270792	Inhibition of CDK4 (unknown origin) assessed as inhibition constant using 32P-ATP as substrate preincubated for 20 mins followed by substrate addition and measured after 2 hrs by radioactive analysis
50018341	24	ChEMBL_2270793	Inhibition of CDK6 (unknown origin) assessed as inhibition constant using 32P-ATP as substrate preincubated for 20 mins followed by substrate addition and measured after 2 hrs by radioactive analysis
50018341	25	ChEMBL_2270798	Inhibition of CDK4 (unknown origin) by kinase assay
50018341	26	ChEMBL_2270803	Inhibition of CDK9 (unknown origin) using TMB as substrate by spectrophotometric analysis
50018341	27	ChEMBL_2270806	Inhibition of CDK2/cyclin E (unknown origin) expressed in Sf9 cells using histone H1 cells in presence of gamma33P-ATP by kinase assay
50018341	28	ChEMBL_2270818	Inhibition of HDAC (unknown origin)
50018342	1	ChEMBL_2270838	Inhibition of PARP1 (unknown origin)
50018342	2	ChEMBL_2270839	Inhibition of human full length PARP1 expressed in baculovirus expression system
50018342	3	ChEMBL_2270842	Inhibition of PARP2 (unknown origin)
50018342	4	ChEMBL_2270846	Inhibition of PARP1 (unknown origin) by ELISA
50018343	1	ChEMBL_2270859	Inhibition of EGFR (unknown origin) using TK as substrate incubated for 30 min in presence of ATP by TR-FRET assay
50018343	2	ChEMBL_2270860	Inhibition of EGFR L858R mutant (unknown origin) using TK as substrate incubated for 1 hrs in presence of ATP by TR-FRET assay
50018343	3	ChEMBL_2270861	Inhibition of EGFR L858R/T790M mutant (unknown origin) using TK as substrate incubated for 1 hrs in presence of ATP by TR-FRET assay
50018343	4	ChEMBL_2270862	Inhibition of human EGFR incubated for 1 hrs in presence of ATP by ELISA assay
50018343	5	ChEMBL_2270863	Inhibition of human HER2 incubated for 1 hrs in presence of ATP by ELISA assay
50018343	6	ChEMBL_2270866	Inhibition of EGFR (unknown origin) incubated for 1 hrs by ELISA assay
50018343	7	ChEMBL_2270867	Inhibition of HER2 (unknown origin) incubated for 1 hrs by ELISA assay
50018343	8	ChEMBL_2270873	Inhibition of EGFR (unknown origin)
50018343	9	ChEMBL_2270878	Inhibition of human HER2
50018343	10	ChEMBL_2270879	Inhibition of VEGFR2 (unknown origin)
50018343	11	ChEMBL_2270884	Inhibition of EGFR (unknown origin) by microplate reader analysis
50018343	12	ChEMBL_2270893	Inhibition of human EGFR incubated for 10 mins in presence of ATP by mobility shift assay
50018343	13	ChEMBL_2270894	Inhibition of human VEGFR2 incubated for 10 mins in presence of ATP by mobility shift assay
50018343	14	ChEMBL_2270899	Inhibition of EGFR L858R/T790M (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50018343	15	ChEMBL_2270900	Inhibition of EGFR (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50018343	16	ChEMBL_2270906	Inhibition of human EGFR incubated for 2 hrs by ELISA assay
50018343	17	ChEMBL_2270909	Inhibition of HER2 (unknown origin) incubated for 1 hrs in presence of ATP by ELISA assay
50018343	18	ChEMBL_2270910	Inhibition of EGFR (unknown origin) incubated for 1 hrs in presence of ATP by ELISA assay
50018343	19	ChEMBL_2270916	Inhibition of EGFR (unknown origin) incubated for 10 mins in presence of ATP by mobility shift assay
50018343	20	ChEMBL_2270917	Inhibition of EGFR L858R/T790M mutant (unknown origin) incubated for 10 mins in presence of ATP by mobility shift assay
50018343	21	ChEMBL_2270920	Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins by mobility shift assay
50018343	22	ChEMBL_2270921	Inhibition of EGFR L858R/T790M mutant (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins by mobility shift assay
50018343	23	ChEMBL_2270922	Inhibition of recombinant EGFR (unknown origin) using by ELISA assay
50018343	24	ChEMBL_2270927	Inhibition of EGFR T790M (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins by mobility shift assay
50018343	25	ChEMBL_2270929	Inhibition of human EGFR using 5-FAM-EEPLYWSFPAKKKCONH2 as substrate incubated for 30 mins in presence of ATP
50018343	26	ChEMBL_2270930	Inhibition of human EGFR d746-750 mutant using 5-FAM-EEPLYWSFPAKKKCONH2 as substrate incubated for 30 mins in presence of ATP
50018343	27	ChEMBL_2270931	Inhibition of human EGFR L858R mutant using 5-FAM-EEPLYWSFPAKKKCONH2 as substrate incubated for 30 mins in presence of ATP
50018343	28	ChEMBL_2270932	Inhibition of human EGFR L858R/T790M mutant using 5-FAM-EEPLYWSFPAKKKCONH2 as substrate incubated for 30 mins in presence of ATP
50018344	1	ChEMBL_2270972	Inhibition of HDAC3 (unknown origin)
50018344	2	ChEMBL_2270984	Inhibition of porcine kidney aminopeptidase N
50018344	3	ChEMBL_2270997	Inhibition of HDAC1 (unknown origin)
50018344	4	ChEMBL_2270998	Inhibition of HDAC2 (unknown origin)
50018344	5	ChEMBL_2270999	Inhibition of HDAC6 (unknown origin)
50018344	6	ChEMBL_2271000	Inhibition of HDAC8 (unknown origin)
50018344	7	ChEMBL_2271024	Inhibition of HDAC (unknown origin)
50018344	8	ChEMBL_2271103	Inhibition of PDE5 (unknown origin)
50018345	1	ChEMBL_2271111	Inhibition of B-Raf V600E mutant (unknown origin)
50018345	2	ChEMBL_2271118	Inhibition of full length GST tagged mouse wild type B-Raf preincubated for 1 hr and measured after 25 mins in presence of ATP
50018345	3	ChEMBL_2271122	Inhibition of wild type B-Raf (unknown origin) by hotspot kinase assay
50018345	4	ChEMBL_2271123	Inhibition of B-Raf V600E mutant (unknown origin) by hotspot kinase assay
50018345	5	ChEMBL_2271125	Inhibition of human wild type B-Raf (433 to 726 residues) expressed in Escherichia coli BL21 cells by ELISA based assay
50018345	6	ChEMBL_2271126	Inhibition of human B-Raf V600E mutant (433 to 726 residues) expressed in Escherichia coli BL21 cells by ELISA based assay
50018345	7	ChEMBL_2271130	Binding affinity to B-Raf V600E mutant (unknown origin)
50018345	8	ChEMBL_2271134	Inhibition of wild type B-Raf (unknown origin)
50018345	9	ChEMBL_2271135	Inhibition of B-Raf V600E mutant (unknown origin) by Z-lyte assay
50018345	10	ChEMBL_2271136	Inhibition of wild type B-Raf (unknown origin) by Z-lyte assay
50018345	11	ChEMBL_2271141	Inhibition of B-Raf V600E mutant (unknown origin) incubated for 120 mins in presence of ATP by ADP-Glo luminescence assay
50018345	12	ChEMBL_2271142	Inhibition of wild type B-Raf (unknown origin) incubated for 120 mins in presence of ATP by ADP-Glo luminescence assay
50018345	13	ChEMBL_2271155	Inhibition of B-Raf V600E mutant (unknown origin) by ELISA based assay
50018345	14	ChEMBL_2271156	Inhibition of wild type B-Raf (unknown origin) by ELISA based assay
50018345	15	ChEMBL_2271160	Inhibition of wild type B-Raf (unknown origin) incubated for 1 hr by lanthascreen kinase assay
50018345	16	ChEMBL_2271161	Inhibition of B-Raf V600E mutant (unknown origin) incubated for 1 hr by lanthascreen kinase assay
50018345	17	ChEMBL_2271162	Inhibition of wild type B-Raf (unknown origin) incubated for 1 hr by ELISA based luminescence assay
50018345	18	ChEMBL_2271163	Inhibition of B-Raf V600E mutant (unknown origin) incubated for 1 hr by ELISA based luminescence assay
50018345	19	ChEMBL_2271171	Inhibition of wild type B-Raf (unknown origin) by radiometric protein kinase-reaction biology assay
50018345	20	ChEMBL_2271172	Inhibition of B-Raf V600E mutant (unknown origin) by radiometric protein kinase-reaction biology assay
50018345	21	ChEMBL_2271204	Inhibition of B-Raf (unknown origin)
50018345	22	ChEMBL_2271206	Inhibition of wild type B-Raf (unknown origin) by Alphascreen assay
50018345	23	ChEMBL_2271207	Inhibition of B-Raf V600E mutant (unknown origin) by Alphascreen assay
50018345	24	ChEMBL_2271218	Inhibition of human full length wild type B-Raf
50018345	25	ChEMBL_2271228	Inhibition of B-Raf V600E mutant in human Malme-3M cells
50018345	26	ChEMBL_2271232	Inhibition of B-Raf in human A-375 cells
50018345	27	ChEMBL_2271233	Inhibition of B-Raf in human A-375 cells assessed as reduction in pERK level
50018346	1	ChEMBL_2271270	Binding affinity to HSP90 (unknown origin) assessed as dissociation constant
50018346	2	ChEMBL_2271273	Binding affinity to APC (unknown origin) assessed as inhibition constant by ITC analysis
50018346	3	ChEMBL_2271274	Binding affinity to APC (unknown origin) assessed as dissociation constant by ITC analysis
50018346	4	ChEMBL_2271279	Competitive binding affinity to full length wild type MLL (unknown origin)
50018350	1	ChEMBL_2271283	Inhibition of PRC2 catalytic core EED (unknown origin)
50018350	2	ChEMBL_2271284	Inhibition of His tagged EED (1 to 441) (unknown origin) using biotin-H3K27me3 peptide as substrate by AlphaScreen competition binding assay
50018350	3	ChEMBL_2271288	Inhibition of PRC2 catalytic core EZH2 (unknown origin)
50018350	4	ChEMBL_2271289	Inhibition of EZH2 methyltransferase activity (unknown origin) assessed `transfer of [3H]methyl group from SAM to substrate by biochemical assay
50018350	5	ChEMBL_2271290	Inhibition of EZH1 methyltransferase activity (unknown origin) assessed `transfer of [3H]methyl group from SAM to substrate by biochemical assay
50018350	6	ChEMBL_2271291	Inhibition of human recombinant GST-tagged HDAC1 incubated for 20 mins by HDAC Glo assay
50018350	7	ChEMBL_2271292	Inhibition of human recombinant GST-tagged HDAC2 incubated for 20 mins by HDAC Glo assay
50018350	8	ChEMBL_2271293	Inhibition of human recombinant HDAC3 incubated for 20 mins by HDAC Glo assay
50018350	9	ChEMBL_2271294	Inhibition of human recombinant GST-tagged HDAC6 incubated for 20 mins by HDAC Glo assay
50018350	10	ChEMBL_2271295	Inhibition of human recombinant His-tagged HDAC8 incubated for 20 mins by HDAC Glo assay
50018350	11	ChEMBL_2271296	Inhibition of human recombinant His-tagged HDAC10 incubated for 20 mins by HDAC Glo assay
50018350	12	ChEMBL_2271300	Inhibition of BRD4-BD1 domain (unknown origin) assessed as inhibition of tetra-acetylated Histone H4 peptide binding to BRD4 by ALPHA-screen assay
50018350	13	ChEMBL_2271301	Inhibition of BRD4-BD2 domain (unknown origin) assessed as inhibition of tetra-acetylated Histone H4 peptide binding to BRD4 by ALPHA-screen assay
50018350	14	ChEMBL_2271302	Binding affinity to BRD4 BD1 domain (unknown origin) by isothermal titration calorimetry assay
50018350	15	ChEMBL_2271303	Binding affinity to BRD4 BD2 domain (unknown origin) by isothermal titration calorimetry assay
50018350	16	ChEMBL_2271306	Binding affinity to BRD2 BD1 domain (unknown origin)
50018350	17	ChEMBL_2271307	Binding affinity to BRD2 BD2 domain (unknown origin)
50018350	18	ChEMBL_2271308	Binding affinity to BRD3 BD1 domain (unknown origin)
50018350	19	ChEMBL_2271309	Binding affinity to BRD3 BD2 domain (unknown origin)
50018350	20	ChEMBL_2271310	Binding affinity to BRD4 BD1 domain (unknown origin)
50018350	21	ChEMBL_2271311	Binding affinity to BRD4 BD2 domain (unknown origin)
50018350	22	ChEMBL_2271317	Inhibition of BRD2 (unknown origin)
50018350	23	ChEMBL_2271318	Inhibition of BRD3 (unknown origin)
50018350	24	ChEMBL_2271319	Inhibition of BRD4 (unknown origin)
50018350	25	ChEMBL_2271328	Inhibition of SMARCA2 BD (unknown origin)
50018350	26	ChEMBL_2271329	Inhibition of SMARCA4 BD (unknown origin)
50018353	1	ChEMBL_2271336	Inhibition of Staphylococcus aureus FabI assessed as inhibition of bacterial growth by measuring the NADH consumption rate at 20 mins
50018353	2	ChEMBL_2271339	Inhibition of Staphylococcus aureus FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rate
50018353	3	ChEMBL_2271340	Inhibition of Escherichia coli FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rate
50018353	4	ChEMBL_2271341	Inhibition of wild type Escherichia coli FabI assessed as inhibition of bacterial growth
50018353	5	ChEMBL_2271362	Inhibition of Mycobacterial tuberculosis ATCC 25618 FabI assessed as measuring NADH consumption rate
50018353	6	ChEMBL_2271365	Inhibition of Haemophilus influenzae ATCC 51907 FabI assessed as by measuring NADH consumption rate
50018353	7	ChEMBL_2271375	Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rate
50018353	8	ChEMBL_2271376	Inhibition of Escherichia coli DH5alpha FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rate
50018353	9	ChEMBL_2271378	Inhibition of Mycobacterium tuberculosis ATCC 25618 InhA
50018353	10	ChEMBL_2271398	Inhibition of Mycobacterium tuberculosis wild type InhA
50018353	11	ChEMBL_2271399	Inhibition of Mycobacterium tuberculosis InhA S94A
50018353	12	ChEMBL_2271401	Inhibition of Staphylococcus aureus FabI assessed as inhibition at 10 uM
50018355	1	ChEMBL_2271411	Inhibition of KDM5B (unknown origin)
50018355	2	ChEMBL_2271412	Inhibition of recombinant KDM5B catalytic core (1 to 729 residues) (unknown origin) expressed in baculovirus infected insect cells by FDH coupled assay
50018355	3	ChEMBL_2271413	Inhibition of KDM4C (unknown origin)
50018355	4	ChEMBL_2271414	Inhibition of KDM6B (unknown origin)
50018355	5	ChEMBL_2271415	Inhibition of KDM5C (unknown origin)
50018355	6	ChEMBL_2271417	Inhibition of KDM4E (unknown origin)
50018355	7	ChEMBL_2271418	Inhibition of KDM5B (unknown origin) by alphascreen assay
50018355	8	ChEMBL_2271419	Inhibition of KDM5B in HEK293 cells by NanoBRET assay
50018359	1	ChEMBL_2271425	Inhibition of GAPDH (unknown origin) measured after 1 hr
50018360	1	ChEMBL_2271435	Inhibition of wild type Abl (unknown origin)
50018360	2	ChEMBL_2271436	Inhibition of Abl T315I mutant (unknown origin)
50018360	3	ChEMBL_2271437	Inhibition of wild type Abl in mouse BaF3 cells
50018360	4	ChEMBL_2271438	Inhibition of Abl T315I mutant in mouse BaF3 cells
50018360	5	ChEMBL_2271439	Inhibition of CSF1R (unknown origin)
50018360	6	ChEMBL_2271442	Inhibition of Tie2 (unknown origin)
50018360	7	ChEMBL_2271443	Inhibition of TrkA (unknown origin)
50018360	8	ChEMBL_2271444	Inhibition of ABL-1 (unknown origin)
50018360	9	ChEMBL_2271458	Binding affinity to AhR (unknown origin)
50018360	10	ChEMBL_2271464	Inhibition of COX-1 (unknown origin)
50018360	11	ChEMBL_2271465	Inhibition of COX-2 (unknown origin)
50018360	12	ChEMBL_2271470	Inhibition of CA9 (unknown origin)
50018360	13	ChEMBL_2271474	Inhibition of HDAC1 (unknown origin)
50018361	1	ChEMBL_2271478	Potentiation of CFTR F508del mutant in rat FRT cells assessed as increase in iodide influx in presence of forskolin
50018361	2	ChEMBL_2271480	Potentiation of CFTR F508del mutant activity (unknown origin)
50018361	3	ChEMBL_2271481	Corrector activity at CFTR F508del mutant (unknown origin) expressed in rat FRT cells assessed as increase in iodide influx in presence of forskolin incubated for 24 hrs
50018361	4	ChEMBL_2271483	Potentiation of CFTR F508del mutant (unknown origin) expressed in rat FRT cells assessed as increase in iodide influx in presence of forskolin incubated for 24 hrs
50018362	1	ChEMBL_2271490	Inhibition of AURKA (unknown origin) in presence of ATP by ADP-Glo luminescent assay
50018362	2	ChEMBL_2271491	Inhibition of EGFR (unknown origin) using Poly(Glu, Tyr) as substrate incubated for 45 mins in presence of ATP by ADP-Glo luminescent assay
50018362	3	ChEMBL_2271501	Inhibition of VEGFR2 (unknown origin) at 25 nM using Poly(Glu, Tyr) as substrate by Kinase-Glo plus luminescent kinase assay
50018366	1	ChEMBL_2271504	Inhibition of IL-6 (unknown origin) by ELISA assay
50018366	2	ChEMBL_2271505	Inhibition of TNF-alpha (unknown origin) by ELISA assay
50018366	3	ChEMBL_2271513	Inhibition of human neutrophil elastase
50018366	4	ChEMBL_2271514	Inhibition of MMP-2 (unknown origin)
50018366	5	ChEMBL_2271515	Inhibition of MMP-9 (unknown origin)
50018366	6	ChEMBL_2271516	Inhibition of recombinant human MMP-2 using QF24 as substrate incubated for 3 hrs by spectrofluorometer assay
50018366	7	ChEMBL_2271517	Inhibition of recombinant human MMP-8 using QF24 as substrate incubated for 3 hrs by spectrofluorometer assay
50018368	1	ChEMBL_2271518	Binding affinity to human MAO-B using p-tyramine as substrate incubated for 15 mins by amplex red dye based microplate assay
50018368	2	ChEMBL_2271520	Binding affinity to human MAO-B using kynuramine as substrate incubated for 30 mins by absorbance based assay
50018368	3	ChEMBL_2271521	Inhibition of human MAO-B using p-tyramine as substrate by fluorimetric based assay
50018368	4	ChEMBL_2271522	Inhibition of human MAO-B using benzylamine as substrate
50018368	5	ChEMBL_2271523	Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence based assay
50018368	6	ChEMBL_2271524	Inhibition of human MAO-B
50018368	7	ChEMBL_2271526	Inhibition of human MAO-B using benzylamine as substrate incubated for 30 mins by absorbance based analysis
50018368	8	ChEMBL_2271527	Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry assay
50018368	9	ChEMBL_2271528	Inhibition of human MAO-B by fluorescence spectrophotometry assay
50018368	10	ChEMBL_2271529	Inhibition of human MAO-A using kynuramine as substrate incubated for 10 mins by continuous spectrophotometric method
50018368	11	ChEMBL_2271530	Inhibition of human MAO-B using kynuramine as substrate incubated for 30 mins by fluorescence based assay
50018368	12	ChEMBL_2271531	Inhibition of human MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence based assay relative to control
50018368	13	ChEMBL_2271532	Inhibition of human MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence based assay relative to control
50018369	1	ChEMBL_2271541	Inhibition of DPP4 (unknown origin)
50018373	1	ChEMBL_2271685	Inhibition of MAO-B (unknown origin) using tyramine hydrochloride as substrate incubated for 30 mins by spectrophotometric assay
50018373	2	ChEMBL_2271686	Inhibition of MAO-B expressed in Wistar rat liver preincubated for 30 mins followed by 4-(trifluoromethyl) benzylamine addition and measured after 90 mins by microplate reader analysis
50018373	3	ChEMBL_2271687	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 20 mins by DTNB reagent based Ellman's method
50018373	4	ChEMBL_2271688	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 20 mins by DTNB reagent based Ellman's method
50018373	5	ChEMBL_2271689	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 6 mins followed by substrate addition by DTNB reagent based Ellman's method
50018373	6	ChEMBL_2271691	Inhibition of recombinant human MAO-A using p-tyramine as substrate incubated for 15 mins followed by substrate addition and measured for 15 to 20 mins by Amplex Red assay
50018373	7	ChEMBL_2271692	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 15 mins followed by substrate addition and measured upto 20 mins by Amplex Red assay
50018373	8	ChEMBL_2271693	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins followed by substrate addition by spectrophotometric assay
50018373	9	ChEMBL_2271694	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 10 mins followed by substrate addition and measured for 20 mins by Fluorescence microplate reader assay
50018373	10	ChEMBL_2271695	Inhibition of human MAO-A
50018373	11	ChEMBL_2271696	Inhibition of MAO-B (unknown origin) using tyramine hydrochloride as substrate incubated for 30 mins followed by substrate addition and measured after 5 mins by spectrophotometric assay
50018373	12	ChEMBL_2271697	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 min by fluorescent spectrophotometric assay
50018373	13	ChEMBL_2271700	Inhibition of MAO-A (unknown origin) using kynuramine as substrate by spectrophotometric assay
50018373	14	ChEMBL_2271701	Inhibition of MAO-B (unknown origin) using benzylamine as substrate by spectrophotometric assay
50018373	15	ChEMBL_2271702	Inhibition of recombinant human MAO-A using p-tyramine as substrate incubated for 10 mins followed by substrate addition and measured 20 mins by fluorescence assay
50018373	16	ChEMBL_2271703	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 10 mins followed by substrate addition and measured 20 mins by fluorescence assay
50018373	17	ChEMBL_2271705	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 min by spectrophotometric assay
50018373	18	ChEMBL_2271706	Inhibition of recombinant human MAO-A expressed in insect cells using kynuramine as substrate incubated for 20 mins by Amplex Red reagent based fluorometric method
50018373	19	ChEMBL_2271707	Inhibition of recombinant human MAO-B expressed in insect cells using kynuramine as substrate incubated for 20 mins by Amplex Red reagent based fluorometric method
50018373	20	ChEMBL_2271708	Inhibition of MAO-B (unknown origin) using as tyramine as substrate by Ampliflu red reagent based fluorometric method
50018373	21	ChEMBL_2271709	Inhibition of mouse AChE using acetylthiocholine iodide as substrate incubated for 20 mins by DTNB reagent based Ellman's method
50018373	22	ChEMBL_2271710	Inhibition of human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by fluorescence assay
50018373	23	ChEMBL_2271712	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric assay
50018373	24	ChEMBL_2271713	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric assay
50018373	25	ChEMBL_2271714	Competitive inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by Lineweaver-Burk plot analysis
50018373	26	ChEMBL_2271715	Inhibition of recombinant human MAO-B expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate incubated for 45 mins by fluorescence assay
50018373	27	ChEMBL_2271716	Inhibition of recombinant human AChE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Amplex Red reagent based fluorescence assay
50018373	28	ChEMBL_2271717	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by Ellman's method
50018373	29	ChEMBL_2271718	Inhibition of human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Ample red assay
50018373	30	ChEMBL_2271719	Inhibition of human AChE using acetylcholine as substrate incubated for 5 mins followed by substrate addition by Ellman's method
50018373	31	ChEMBL_2271720	Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by fluorescence assay
50018373	32	ChEMBL_2271721	Inhibition of recombinant human MAO-B using tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50018373	33	ChEMBL_2271722	Inhibition of MAO-A (unknown origin) using kynuramine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescence microplate reader assay
50018373	34	ChEMBL_2271723	Inhibition of MAO-B (unknown origin) using kynuramine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescence microplate reader assay
50018373	35	ChEMBL_2271724	Inhibition of rat brain mitochondria MAO-B using benzylamine as substrate incubated for 30 mins by microplate reader assay
50018373	36	ChEMBL_2271725	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50018373	37	ChEMBL_2271726	Inhibition of human MAO-B using tyramine as substrate by amplex red assay
50018373	38	ChEMBL_2271727	Inhibition of rat brain mitochondria MAO-B using p-tyramine as substrate incubated for 15 mins followed by substrate addition and measured for 15 by microplate fluorescence reader analysis
50018373	39	ChEMBL_2271728	Inhibition of human MAO-B using tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50018373	40	ChEMBL_2271729	Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorometric assay
50018373	41	ChEMBL_2271730	Inhibition of human MAO-A assessed as inhibition constant using kynuramine as substrate
50018373	42	ChEMBL_2271731	Inhibition of human MAO-B assessed as inhibition constant using benzylamine as substrate
50018373	43	ChEMBL_2271732	Inhibition of human MAO-B using benzylamine as substrate
50018373	44	ChEMBL_2271733	Mixed type inhibition of human MAO-A assessed as inhibition constant by Lineweaver-Burk plot analysis
50018373	45	ChEMBL_2271734	Inhibition of human MAO-B
50018373	46	ChEMBL_2271735	Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorescence plate reader analysis
50018374	1	ChEMBL_2271739	Antagonist activity at CCR5 (unknown origin) expressed in human HOS cells co-expressing HIV-1 FITC-gp120 Bal assessed inhibition of CD4 dependent gp120 Bal binding to CCR5 by western blot analysis
50018374	2	ChEMBL_2271740	Antagonist activity at CCR5 (unknown origin) expressed in human HOS cells co-expressing HIV-1 FITC-gp120 CM235 assessed inhibition of CD4 dependent gp120 CM235 binding to CCR5 by western blot analysis
50018375	1	ChEMBL_2271742	Inhibition of AChE (unknown origin)
50018375	2	ChEMBL_2271743	Inhibition of electric eel AChE
50018375	3	ChEMBL_2271745	Inhibition of BACE-1 (unknown origin)
50018375	4	ChEMBL_2271746	Inhibition of human DHFR
50018375	5	ChEMBL_2271747	Inhibition of human Sphk1 (9 to 364 residues)
50018378	1	ChEMBL_2271750	Antagonist activity at CCR2 (unknown origin)
50018378	2	ChEMBL_2271751	Inhibition of JAK1 (unknown origin)
50018378	3	ChEMBL_2271752	Inhibition of JAK2 (unknown origin)
50018378	4	ChEMBL_2271753	Inhibition of JAK3 (unknown origin)
50018378	5	ChEMBL_2271754	Inhibition of TYK2 (unknown origin)
50018378	6	ChEMBL_2271755	Antagonist activity at c-IAP1 (unknown origin)
50018378	7	ChEMBL_2271756	Antagonist activity at x-IAP1 (unknown origin)
50018379	1	ChEMBL_2271764	Inhibition of mTORC1 in human HEK293 cells assessed as decrease in phosphorylated S6K level incubated for 30 mins by immunoblot assay
50018379	2	ChEMBL_2271765	Inhibition of mTORC2 in human HEK293 cells assessed as decrease in phosphorylated Akt level incubated for 30 mins by immunoblot assay
50018379	3	ChEMBL_2271766	Inhibition of full length mTOR in human HeLa cells using 4EBP1 as substrate by immunoprecipitation based ELISA assay
50018379	4	ChEMBL_2271767	Inhibition of recombinant FLAG-tagged mTOR (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation of S6K level at Thr389 incubated for 2 hrs in presence of ATP and His6-S6K by DELFIA assay
50018379	5	ChEMBL_2271768	Inhibition of human recombinant mTOR assessed as decrease in phosphorylation of S6K level at Thr389 incubated for 2 hrs in presence of ATP and His6-S6K by DELFIA assay
50018379	6	ChEMBL_2271769	Inhibition of recombinant mTOR (unknown origin) using 4EBP1 as substrate in presence of [gamma-32P]ATP by radiometric scintillation assay
50018379	7	ChEMBL_2271770	Inhibition of C-terminal His-tagged full-length PI3K p110alpha (unknown origin) expressed in baculovirus incubated for 60 mins by Kinase-Glo luminescence assay
50018379	8	ChEMBL_2271771	Inhibition of C-terminal His-tagged full-length PI3K p110beta (unknown origin) expressed in baculovirus incubated for 60 mins by Kinase-Glo luminescence assay
50018379	9	ChEMBL_2271772	Inhibition of C-terminal His-tagged full-length PI3K p110gamma (unknown origin) expressed in baculovirus incubated for 60 mins by Kinase-Glo luminescence assay
50018379	10	ChEMBL_2271773	Inhibition of C-terminal His-tagged full-length PI3K p110delta (unknown origin) expressed in baculovirus incubated for 120 mins by Kinase-Glo luminescence assay
50018379	11	ChEMBL_2271774	Inhibition of mTOR (unknown origin) by K-LISA assay
50018379	12	ChEMBL_2271775	Inhibition of human recombinant PI3Kalpha in presence of ATP by scintillation proximity assay
50018379	13	ChEMBL_2271776	Inhibition of human recombinant PI3Kbeta in presence of ATP by scintillation proximity assay
50018379	14	ChEMBL_2271777	Inhibition of PI3Kgamma (unknown origin)
50018379	15	ChEMBL_2271778	Inhibition of PI3Kdelta (unknown origin)
50018379	16	ChEMBL_2271779	Inhibition of mTOR (unknown origin) by Lanthascreen kinase assay
50018379	17	ChEMBL_2271780	Inhibition of ATR in human HCT-116 cells preincubated for 1 hr followed by UV radiation and measured after 1 hr by Bradford assay based immunoblotting analysis
50018379	18	ChEMBL_2271781	Inhibition of ATM in human HCT-116 cells preincubated for 1 hr followed by UV radiation and measured after 1 hr by Bradford assay based immunoblotting analysis
50018379	19	ChEMBL_2271783	Inhibition of human PI3Kalpha assessed as inhibition constant
50018379	20	ChEMBL_2271784	Inhibition of human PI3Kbeta assessed as inhibition constant
50018379	21	ChEMBL_2271785	Inhibition of human PI3Kgamma assessed as inhibition constant
50018379	22	ChEMBL_2271786	Inhibition of human PI3Kdelta assessed as inhibition constant
50018379	23	ChEMBL_2271787	Inhibition of human mTOR assessed as inhibition constant
50018379	24	ChEMBL_2271788	Inhibition of PI3Kalpha (unknown origin)
50018379	25	ChEMBL_2271789	Inhibition of PI3Kbeta (unknown origin)
50018379	26	ChEMBL_2271790	Inhibition of mTOR (unknown origin)
50018379	27	ChEMBL_2271792	Inhibition of mTOR in rat brain by [3H]-thymidine incorporation based immunoblot assay
50018379	28	ChEMBL_2271793	Inhibition of mTORC2 in human LN-229 cells assessed as decrease in phosphorylation of AKT at Ser473 level incubated for 24 hrs by immunoblot assay
50018379	29	ChEMBL_2271794	Inhibition of mTOR (unknown origin) assessed as inhibition constant using GFP-4EBP1 as substrate by Lanthascreen based time resolved fluorescence based assay
50018379	30	ChEMBL_2271795	Inhibition of PIK3alpha (unknown origin) expressed in baculovirus assessed as inhibition constant using PIP2 as substrate in presence of [gamma-32P]ATP incubated for 30 mins by scintillation proximity assay
50018380	1	ChEMBL_2271802	Inhibition of RSK2 (unknown origin) at 100 uM preincubated for 1 hr followed by substrate addition and measured after 1 hr by Z-lyte assay relative to control
50018380	2	ChEMBL_2271803	Inhibition of MAP2K4 (unknown origin) at 100 uM preincubated for 1 hr followed by substrate addition and measured after 1 hr by Z-lyte assay relative to control
50018380	3	ChEMBL_2271807	Inhibition of JAK3 (unknown origin) incubated for 45 mins by LC-MS/MS analysis
50018380	4	ChEMBL_2271808	Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr by Z-lyte assay
50018380	5	ChEMBL_2271810	Inhibition of MELK (unknown origin)
50018381	1	ChEMBL_2271866	Inhibition of SARS-CoV-2 3CL protease
50018381	2	ChEMBL_2271886	Inhibition of recombinant SARS CoV-2 PL protease using Ub-AFC incubated for 3 mins by fluorescence based analysis
50018381	3	ChEMBL_2271887	Inhibition of recombinant MERS-CoV PL protease using Ub-AFC incubated for 3 mins by fluorescence based analysis
50018382	1	ChEMBL_2271888	Inhibition of UT-B in mouse erythrocyte incubated for 10 mins by stopped-flow light scattering assay
50018382	2	ChEMBL_2271889	Inhibition of UT-B in rat erythrocyte by stopped-flow light scattering assay
50018382	3	ChEMBL_2271890	Inhibition of rat UT-B expressed in MDCK cells assessed as inhibition of urea transport incubated for 30 mins
50018382	4	ChEMBL_2271892	Inhibition of UT-B in Sprague-Dawley rat erythrocyte incubated for 6 min by erythrocyte osmotic lysis based high-throughput screening assay
50018382	5	ChEMBL_2271893	Inhibition of UT-B in C57BL/6J mouse erythrocyte incubated for 6 min by erythrocyte osmotic lysis based high-throughput screening assay
50018382	6	ChEMBL_2271896	Inhibition of UT-B in mouse erythrocyte
50018382	7	ChEMBL_2271898	Inhibition of UT-B in mouse erythrocyte incubated for 15 mins by erythrocyte osmotic lysis assay
50018382	9	ChEMBL_2271904	Inhibition of NKCC1 in human HT-29 cells assessed as inhibition of rubidium uptake incubated for 20 min by atomic absorption spectroscopy
50018382	10	ChEMBL_2271907	Inhibition of mouse Pendrin stably expressed in FRT cells with YFP assessed as inhibition of pendrin mediated Cl-/SCN- exchange by fluorescence assay
50018382	11	ChEMBL_2271908	Inhibition of mouse Pendrin stably expressed in FRT cells with YFP assessed as inhibition of pendrin mediated Cl-/NO3- exchange by fluorescence assay
50018382	12	ChEMBL_2271909	Inhibition of mouse Pendrin stably expressed in FRT cells with YFP assessed as inhibition of pendrin mediated Cl-/HCO3- exchange by fluorescence assay
50018382	13	ChEMBL_2271914	Inhibition of human AQP1 water channel expressed in Xenopus laevis oocytes assessed as inhibition of AQP1-mediated osmotic swelling incubated for 1 to 2 hrs by videomicroscopy analysis
50018382	14	ChEMBL_2271915	Inhibition of rat AQP4 water channel expressed in Xenopus laevis oocytes assessed as inhibition of AQP1-mediated osmotic swelling incubated for 1 to 2 hrs by videomicroscopy analysis
50018382	15	ChEMBL_2271916	Agonist activity at human AQP1 water channel expressed in Xenopus laevis oocytes assessed as inhibition of AQP1-mediated osmotic swelling
50018382	16	ChEMBL_2271917	Inhibition of human AQP1 water channel expressed in CHO cells incubated for 10 mins by FLIPR Tetra assay
50018382	17	ChEMBL_2271918	Inhibition of AQP1 water channel in human erythrocyte by stopped-flow spectrometry
50018383	1	ChEMBL_2271919	Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 1 hr by liquid scintillation counting method
50018383	2	ChEMBL_2271920	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by liquid scintillation counting method
50018383	3	ChEMBL_2271921	Displacement of [3H]HU-243 binding to CB2 receptor in human COS-7 cells
50018383	4	ChEMBL_2271922	Displacement of [3H]HU-243 from rat brain membrane CB1 receptor
50018383	5	ChEMBL_2271923	Displacement of [3H]CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membrane measured after 90 mins by competitive binding assay
50018383	6	ChEMBL_2271924	Displacement of [3H]CP55940 from CB2 receptor (unknown origin) expressed in HEK cell membrane measured after 90 mins by competitive binding assay
50018383	7	ChEMBL_2271925	Binding affinity to human recombinant CB1 receptor
50018383	8	ChEMBL_2271926	Binding affinity to human recombinant CB2 receptor
50018383	9	ChEMBL_2271927	Binding affinity to CB1 receptor (unknown origin) assessed as inhibition constant
50018383	10	ChEMBL_2271928	Binding affinity to CB2 receptor (unknown origin) assessed as inhibition constant
50018383	11	ChEMBL_2271929	Displacement of [3H]CP55940 from human CB1 receptor
50018383	12	ChEMBL_2271930	Displacement of [3H]CP55940 from human CB2 receptor
50018383	13	ChEMBL_2271931	Binding affinity to human CB1 receptor stably expressing CHO cells assessed as inhibition constant by radioligand binding assay
50018383	14	ChEMBL_2271932	Binding affinity to human CB2 receptor stably expressing HEK cells assessed as inhibition constant
50018383	15	ChEMBL_2271933	Inhibition of equine serum BChE
50018383	16	ChEMBL_2271936	Binding affinity to human CB2 receptor stably expressed in HEK cells assessed as inhibition constant by GTPgammaS assay
50018383	17	ChEMBL_2271938	Inhibition of human BChE
50018384	1	ChEMBL_2271945	Inhibition of ER (unknown origin) by luciferase reporter assay
50018385	1	ChEMBL_2271981	Binding affinity to HER2 in human BT-474 cells assessed as dissociation constant by measuring high affinity ligand binding site by LigandTracer technique
50018385	2	ChEMBL_2271982	Binding affinity to HER2 in human BT474 cells assessed as dissociation constant by measuring low affinity ligand binding site by LigandTracer technique
50018388	1	ChEMBL_2272011	Inhibition of DYRK1A (unknown origin)
50018388	2	ChEMBL_2272012	Inhibition of DNA topoisomerase 1 (unknown origin) at 50 uM measured by agar gel electrophoresis
50018388	3	ChEMBL_2272041	Binding affinity to human D4 receptor assessed as inhibition constant
50018388	4	ChEMBL_2272042	Binding affinity to human D2 receptor assessed as inhibition constant
50018388	5	ChEMBL_2272043	Binding affinity to human D3 receptor assessed as inhibition constant
50018388	6	ChEMBL_2272085	Binding affinity to D4 receptor (unknown origin) assessed as inhibition constant
50018389	1	ChEMBL_2272116	Inhibition of Bacillus thermoproteolyticus Thermolysin
50018389	2	ChEMBL_2272117	Binding affinity to Bacillus thermoproteolyticus Thermolysin assessed as inhibition constant by Cheng-Prusoff equation analysis
50018389	3	ChEMBL_2272129	Inhibition of wild type human EGFR measured by ELISA analysis
50018389	4	ChEMBL_2272134	Inhibition of PI3Kalpha (unknown origin) incubated for 90 mins by [gamma-33P]-ATP based scintillation counting method
50018389	5	ChEMBL_2272135	Inhibition of PI3Kdelta (unknown origin) incubated for 90 mins by [gamma-33P]-ATP based scintillation counting method
50018389	6	ChEMBL_2272136	Inhibition of PI3Kgamma (unknown origin) incubated for 90 mins by [gamma-33P]-ATP based scintillation counting method
50018389	7	ChEMBL_2272137	Inhibition of PI3Kalpha in rat Rat1 cells reduction in phosphorylation of AKT at Ser473 residue incubated for 2 hrs by alpha screen assay
50018390	1	ChEMBL_2272231	Inhibition of HIV1 gp120-mediated cell-cell fusion between HIV1 ADA infected human H9 cells to human TZM-bl cells transmitting cells treated for 1 hr followed by washout cells incubated 24 hrs with acceptor cells by luciferase reporter gene based CXCR4 tropic assay
50018390	2	ChEMBL_2272232	Inhibition of HIV1 gp120-mediated cell-cell fusion between HIV1 3B infected human MOLT-4 cells to human TZM-bl cells transmitting cells treated for 1 hr followed by washout cells incubated 24 hrs with acceptor cells by luciferase reporter gene based CCR5 tropic assay
50018392	1	ChEMBL_2272244	Binding affinity to EIF4E (unknown origin) by fluorescence polarization assay
50018392	2	ChEMBL_2272262	Inhibition of human C-terminal V5 epitope tagged PCSK9 by luciferase reporter assay
50018393	1	ChEMBL_2272265	Inhibition of human PHGDH by fluorescence based analysis
50018393	2	ChEMBL_2272266	Inhibition of human PHGDH using 3-PG as substrate by fluorescence based analysis
50018393	3	ChEMBL_2272267	Inhibition of human PHGDH using 3-PG as substrate incubated for 60 mins by fluorescence based analysis
50018393	4	ChEMBL_2272268	Inhibition of human full-length PHGDH incubated for 10 mins by SPR analysis
50018393	5	ChEMBL_2272269	Inhibition of human PHGDH expressed in Escherichia coli BL21 using 3-PG as substrate incubated for 30 mins by fluorescence based analysis
50018393	6	ChEMBL_2272270	Binding affinity to human PHGDH expressed in Escherichia coli BL21 incubated for 30 mins by MST assay
50018393	7	ChEMBL_2272271	Binding affinity to PHGDH (unknown origin) by isothermal titration calorimetry
50018393	8	ChEMBL_2272272	Binding affinity to human PHGDH (3 to 314 residues) expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetry
50018394	1	ChEMBL_2272273	Inhibition of EZH2 (unknown origin)
50018395	1	ChEMBL_2272275	Binding affinity to human recombinant his-tagged MDM2 assessed as inhibition constant by fluorescence polarization based assay
50018395	2	ChEMBL_2272276	Inhibition of AChE (unknown origin)
50018395	3	ChEMBL_2272277	Agonist activity at 5HT1A (unknown origin) receptor
50018395	4	ChEMBL_2272278	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 20 mins by DTNB reagent based Ellman's method
50018395	5	ChEMBL_2272284	Inhibition of human recombinant AChE using acetylthiocholine chloride as substrate incubated for 20 mins by DTNB reagent based Ellman's method
50018395	6	ChEMBL_2272288	Agonist activity at human melatonin MT1 receptor stably expressing in human HEK293 cells
50018395	7	ChEMBL_2272289	Agonist activity at human melatonin MT2 receptor stably expressing in human HEK293 cells
50018395	8	ChEMBL_2272292	Inhibition of BChE (unknown origin)
50018395	9	ChEMBL_2272293	Inhibition of gamma-secretase (unknown origin)
50018395	10	ChEMBL_2272296	Inhibition of human BACE1 (1 to 454 residues) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assay
50018396	1	ChEMBL_2272297	Inhibition of MMP-1 (unknown origin)
50018396	2	ChEMBL_2272298	Inhibition of MMP-2 (unknown origin)
50018396	3	ChEMBL_2272299	Inhibition of MMP-3 (unknown origin)
50018396	4	ChEMBL_2272300	Inhibition of MMP-9 (unknown origin)
50018396	5	ChEMBL_2272301	Inhibition of MMP-14 (unknown origin)
50018396	6	ChEMBL_2272302	Inhibition of MMP-7 (unknown origin)
50018396	7	ChEMBL_2272303	Inhibition of MMP-8 (unknown origin)
50018396	8	ChEMBL_2272304	Inhibition of MMP-13 (unknown origin)
50018396	9	ChEMBL_2272305	Inhibition of MMP-1 (unknown origin) assessed as inhibition constant
50018396	10	ChEMBL_2272306	Inhibition of MMP-2 (unknown origin) assessed as inhibition constant
50018396	11	ChEMBL_2272307	Inhibition of MMP-9 (unknown origin) assessed as inhibition constant
50018396	12	ChEMBL_2272308	Inhibition of MMP-13 (unknown origin) assessed as inhibition constant
50018396	13	ChEMBL_2272309	Inhibition of MMP-3 (unknown origin) assessed as inhibition constant
50018396	14	ChEMBL_2272310	Inhibition of human recombinant MMP-1 assessed as inhibition constant
50018396	15	ChEMBL_2272311	Inhibition of human recombinant MMP-2 assessed as inhibition constant
50018396	16	ChEMBL_2272312	Inhibition of human recombinant MMP-3 assessed as inhibition constant
50018396	17	ChEMBL_2272313	Inhibition of recombinant human MMP-9 assessed as inhibition constant
50018396	18	ChEMBL_2272314	Inhibition of MMP-8 (unknown origin) assessed as inhibition constant
50018396	19	ChEMBL_2272315	Competitive inhibition of human MMP-2 assessed as inhibition constant
50018396	20	ChEMBL_2272316	Competitive inhibition of human MMP-9 assessed as inhibition constant
50018396	21	ChEMBL_2272320	Binding affinity to MMP-9 (unknown origin)
50018396	22	ChEMBL_2272321	Inhibition of MMP-12 (unknown origin)
50018396	23	ChEMBL_2272322	Inhibition of HDAC-8 (unknown origin)
50018397	1	ChEMBL_2272335	Disruption of His-tagged full length HSP90 (unknown origin)/GST-tagged Cdc37 (unknown origin) measured after 1 hr by HTRF method
50018397	2	ChEMBL_2272341	Activation of caspase 3 in human MDA-MB-231 cells measured after 48 hrs by Plate reader method
50018397	3	ChEMBL_2272344	Binding affinity to human recombinant caspase 3 at 0.3125 to 5 uM measured after 400 secs by Surface plasmon resonance method
50018398	1	ChEMBL_2272385	Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO-K1 cells membrane incubated for 60 mins by MicroBeta scintillation counter assay
50018398	2	ChEMBL_2272386	Displacement of [3H](+)-pentazocine from human sigma 1 receptor expressed in HEK293 cells membrane incubated for 120 mins by MicroBeta scintillation counter assay
50018398	3	ChEMBL_2272388	Binding affinity to mu opioid receptor (unknown origin) assessed as inhibition constant in presence of Levorphanol
50018398	4	ChEMBL_2272389	Displacement of [3H]pentazocine from guinea pig brain membrane sigma 1 receptor incubated for 120 mins
50018398	5	ChEMBL_2272390	Displacement of [ 3H]-naloxone from rat brain membrane mu opioid receptor
50018398	6	ChEMBL_2272391	Displacement of [3H]pentazocine from guinea pig brain membrane sigma 1 receptor incubated for 150 mins
50018399	1	ChEMBL_2272395	Inhibition of Serratia marcescens IMP-1 expressed in Escherichia coli BL21 (DE3) using cephalothin as substrate preincubated for 5 mins followed by substrate addition relative to citrate
50018400	1	ChEMBL_2272410	Agonist activity at human FXR expressed in human Huh-7 cells co-transfected with FXRE-Luc reporter plasmid assessed as receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50018400	2	ChEMBL_2272412	Agonist activity at human TGR5 expressed in HEK293 cells co-transfected with CRE-Luc reporter plasmid assessed as receptor transactivation incubated for 5.5 hrs by luciferase reporter gene assay
50018402	1	ChEMBL_2272454	Inhibition of human PDE5
50018402	2	ChEMBL_2272455	Inhibition of PDE5 (unknown origin)
50018402	3	ChEMBL_2272456	Inhibition of Eg5 (unknown origin)
50018402	4	ChEMBL_2272457	Inhibition of Eg5 ATPase activity (unknown origin)
50018402	5	ChEMBL_2272458	Inhibition of human HDAC6
50018402	6	ChEMBL_2272459	Inhibition of human HDAC1
50018402	7	ChEMBL_2272460	Inhibition of human PDE5A using fluorescence-labelled substrate
50018402	8	ChEMBL_2272463	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate
50018402	9	ChEMBL_2272465	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured after 20 mins by by Ellmans method
50018403	1	ChEMBL_2272467	Inhibition of B-raf (448 to 723 residues) (unknown origin) expressed in Escherichia coli by AlphaScreen assay
50018403	2	ChEMBL_2272468	Inhibition of B-Raf V600E mutant (448 to 723 residues) (unknown origin) expressed in Escherichia coli by AlphaScreen assay
50018403	3	ChEMBL_2272469	Inhibition of GST-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotin-GISYGR-AcK-KKRRQRRRP as substrate incubated for 12 hrs by ELISA
50018403	4	ChEMBL_2272470	Inhibition of BRD2 BD1 (unknown origin) using biotin-H4Ac4 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by alphascreen assay
50018403	5	ChEMBL_2272471	Inhibition of BRD4 BD1 (unknown origin) using biotin-H4Ac4 as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by alphascreen assay
50018403	6	ChEMBL_2272473	Inhibition of BRD2 BD1 (unknown origin) using biotinylated tetra-acetylated Histone H4 peptide as substrate and measured for 1 hrs by TR-FRET assay
50018403	7	ChEMBL_2272474	Inhibition of BRD3 BD1 (unknown origin) using biotinylated tetra-acetylated Histone H4 peptide as substrate and measured for 1 hrs by TR-FRET assay
50018403	8	ChEMBL_2272475	Inhibition of BRD4 BD1 (unknown origin) using biotinylated tetra-acetylated Histone H4 peptide as substrate and measured for 1 hrs by TR-FRET assay
50018403	9	ChEMBL_2272476	Binding affinity to human CBP/p300 bromodomain using H-ALREIRRYQK(ac)STELLIRKLK(biotin)-OH as substrate incubated for 30 mins by AlphaScreen assay
50018403	10	ChEMBL_2272477	Binding affinity to human BRD4 BD1 using H-YSGRGKacGGKacGLGKacGGAKacRHRK(biotin)-OH as substrate incubated for 30 mins by AlphaScreen assay
50018403	11	ChEMBL_2272478	Binding affinity to BRD2 BD1 (unknown origin) by BROMOscan assay
50018403	12	ChEMBL_2272479	Binding affinity to BRD2 BD2 (unknown origin) by BROMOscan assay
50018403	13	ChEMBL_2272481	Binding affinity to N-terminal GST-ATAD2 bromodomain (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by Isothermal titration calorimetry
50018403	14	ChEMBL_2272484	Inhibition of BRD9 (unknown origin) by Isothermal titration calorimetry
50018403	15	ChEMBL_2272485	Inhibition of BRD7 (unknown origin) by Isothermal titration calorimetry
50018403	16	ChEMBL_2272486	Binding affinity to BRD4 BD1 (unknown origin) by isothermal titration calorimetry
50018403	17	ChEMBL_2272487	Inhibition of human recombinant LSD1 using H3K4me2 as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Amplex Red reagent based fluorescence microplate reader analysis
50018403	18	ChEMBL_2272488	Inhibition of KDM5A (unknown origin) using H3K4me3 as substrate by MSD ELISA analysis
50018403	19	ChEMBL_2272489	Inhibition of human N-terminal His-tagged LSD1 using histone H3 peptide (1 to 21 residues) K4me2 as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hrs by fluorescence analysis
50018403	20	ChEMBL_2272490	Binding affinity to NSD1 SET domain(1852 to 2085 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC analysis
50018403	21	ChEMBL_2272491	Inhibition of NSD1 SET domain (1852 to 2105 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 1 hrs followed by HMT-35-179 and 3H-SAM addition and measured after 1 hrs by radiometric HMT assay
50018403	22	ChEMBL_2272494	Inhibition of His tagged UHRF1 tandem Tudor domain (unknown origin) using biotinylated-H3K9me3 peptide as substrate incubated for 1 hr by TR-FRET assay
50018403	23	ChEMBL_2272495	Binding affinity to recombinant human NSD3 PWWP1 domain (247 to 398 residues) by SPR analysis
50018403	24	ChEMBL_2272496	Antagonist activity against recombinant human GST-tagged NSD3 PWWP1 domain (247 to 398 residues) incubated for 60 mins by TR-FRET assay
50018403	25	ChEMBL_2272498	Inhibition of human WDR5 WIN site expressed in Escherichia coli
50018405	1	ChEMBL_2272500	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method
50018407	1	ChEMBL_2272515	Antagonist activity against LuxR mediated quorum sensing system in Vibrio fischeri ES114 expressing luxI assessed as decrease in luminescence intensity incubated for 4 to 8 hrs by bioluminescence analysis
50018407	2	ChEMBL_2272516	Agonist activity against LuxR mediated quorum sensing system in Vibrio fischeri ES114 expressing luxI assessed as increase in luminescence intensity incubated for 4 to 8 hrs by bioluminescence analysis
50018407	3	ChEMBL_2272524	Antagonist activity against LasR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 by spectrophotometric assay
50018407	4	ChEMBL_2272536	Agonist activity against RhlR in Pseudomonas aeruginosa PAO-JP2 expressing prhlI-LVAgfp using CPRG as substrate by spectrophotometric assay
50018408	1	ChEMBL_2272586	Inhibition of EGFR (unknown origin)
50018408	2	ChEMBL_2272590	Inhibition of human EGFR
50018408	3	ChEMBL_2272591	Inhibition of c-Met (unknown origin)
50018408	4	ChEMBL_2272595	Inhibition of AXL (unknown origin)
50018408	5	ChEMBL_2272599	Inhibition of PI3K gamma (unknown origin)
50018408	6	ChEMBL_2272600	Inhibition of mTOR (unknown origin)
50018408	7	ChEMBL_2272601	Inhibition of MEK1 (unknown origin)
50018408	8	ChEMBL_2272602	Displacement of biotinylated Bim peptide from Bcl-2 (unknown origin)
50018408	9	ChEMBL_2272638	Inhibition of human G9a expressed in HEK293 cells
50018408	10	ChEMBL_2272644	Inhibition of human DOT1L (1 to 416 residues) expressed in Escherichia coli (DE3) cells
50018408	11	ChEMBL_2272646	Inhibition of DOT1L (unknown origin)
50018408	12	ChEMBL_2272659	Inhibition of human germ cell alkaline phosphatase
50018408	13	ChEMBL_2272660	Inhibition of COX-2 (unknown origin)
50018411	1	ChEMBL_2272730	Binding affinity to Escherichia coli BL21 FtsZ assessed as dissociation constant of hydrophobic probe ANS-FtsZ complex fluorescence quenching incubated for 30 mins by double reciprocal plot analysis
50018411	2	ChEMBL_2272732	Binding affinity to Bacillus subtilis FtsZ assessed as dissociation constant of intrinsic tryptophan quenching incubated for 30 mins by double reciprocal plot analysis
50018412	1	ChEMBL_2272749	Inhibition of human PDE4 catalytic domain expressed in Escherichia coli
50018412	2	ChEMBL_2272751	Inhibition of human recombinant ATX using ABTS as substrate by absorbance based analysis
50018412	3	ChEMBL_2272752	Inhibition of human recombinant ATX
50018412	4	ChEMBL_2272753	Binding affinity to wild type human Arg I using L-arginine as substrate by liquid scintillation counting analysis
50018412	5	ChEMBL_2272754	Inhibition of human Arg I
50018412	6	ChEMBL_2272755	Inhibition of human Arg II
50018412	7	ChEMBL_2272756	Binding affinity to bovine liver Arg I
50018412	8	ChEMBL_2272757	Binding affinity to rat Arg I
50018412	9	ChEMBL_2272758	Binding affinity to human Arg I
50018412	10	ChEMBL_2272759	Inhibition of rat liver arginase using L-arginine as substrate incubated for 10 mins followed by substrate addition by scintillation counting analysis
50018412	11	ChEMBL_2272760	Binding affinity to human Arg I assessed as inhibition constant by SPR analysis
50018412	12	ChEMBL_2272763	Binding affinity to human Arg II
50018412	13	ChEMBL_2272764	Binding affinity to human CA1 assessed as inhibition constant
50018412	14	ChEMBL_2272765	Binding affinity to human CA2 assessed as inhibition constant
50018412	15	ChEMBL_2272766	Binding affinity to human CA9 assessed as inhibition constant
50018412	16	ChEMBL_2272767	Binding affinity to human CA12 assessed as inhibition constant
50018412	17	ChEMBL_2272770	Inhibition of Escherichia coli VIM-1
50018413	1	ChEMBL_2272777	Inhibition of hERG
50018413	2	ChEMBL_2272782	Inhibition of human DHFR
50018413	3	ChEMBL_2272791	Inhibition of human recombinant PNP
50018413	4	ChEMBL_2272806	Inhibition of HDAC1 in human HeLa nuclear extract incubated for 30 mins by fluorescence based analysis
50018415	1	ChEMBL_2272881	Inhibition of porcine brain tubulin polymerization measured every 60 sec for 25 mins by fluorescence based assay
50018416	1	ChEMBL_2272930	Inhibition of FITC-labelled BAK BH3 peptide to 6His-MBP tagged recombinant human MCL-1 (172 to 327 residues) expressed in Escherichia coli assessed as inhibition constant by fluorescence polarization competition assay
50018416	2	ChEMBL_2272931	Binding affinity to BCL-xL (unknown origin) assessed as inhibition constant
50018416	3	ChEMBL_2272933	Inhibition of FITC-labelled BAK BH3 peptide to MCL-1 (172 to 327 residues) (unknown origin) assessed as inhibition constant by fluorescence polarization competition assay
50018416	4	ChEMBL_2272934	Binding affinity to MCL-1 (unknown origin) assessed as inhibition constant
50018418	1	ChEMBL_2272989	Antagonist activity at P2Y12 receptor in human blood platelets assessed as inhibition of ADP-induced platelet aggregation compound preincubated with blood for 5 mins prior to ADP addition by electrode aggregometry assay
50018419	1	ChEMBL_2272991	Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione [1beta-3H] as substrate incubated for 1 hrs by scintillation counting analysis
50018419	2	ChEMBL_2272995	Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate
50018419	3	ChEMBL_2272996	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis
50018419	4	ChEMBL_2272997	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate by LC-MS/MS analysis
50018419	5	ChEMBL_2272998	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50018419	6	ChEMBL_2272999	Inhibition of CYP3A4 in human liver microsomes using midazolam/testosterone as substrate by LC-MS/MS analysis
50018420	1	ChEMBL_2273082	Inhibition of HFIP-pretreated human amyloid beta (1 to 42) aggregation incubated for 24 hrs under dark condition by Thioflavin T dye based fluorometric analysis
50018422	1	ChEMBL_2273115	Irreversible inhibition of human recombinant tissue transglutaminase expressed in Escherichia coli using Cbz-Glu-(gamma-p-nitrophenylester)Gly (AL5) as substrate assessed as substrate hydrolysis by measuring KI incubated for 20 mins by colorimetric analysis
50018422	2	ChEMBL_2273116	Reversible inhibition of human recombinant tissue transglutaminase expressed in Escherichia coli using Cbz-Glu-(gamma-p-nitrophenylester)Gly (AL5) as substrate assessed as substrate hydrolysis by measuring Ki incubated for 20 mins by colorimetric analysis
50018424	1	ChEMBL_2273135	Inhibition of 6 His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) cells using 9,10-phenanthrenequinone as substrate assessed as substrate reduction by measuring change in NADPH fluorescence incubated for 30 mins by fluorescence spectroscopic analysis relative to control
50018426	1	ChEMBL_2273150	Photo-oxygenation mediated inactivation of human recombinant Myostatin expressed in Escherichia coli cells photoirradiated for 30 mins using LED followed by incubation with luciferase reporter transfected HEK293 cells for 4 hrs by luciferase reporter gene assay
50018427	1	ChEMBL_2273186	Irreversible inhibition of recombinant human TG2 expressed in Escherichia coli BL21 assessed as inhibition constant using AL5 as substrate by continuous chromogenic assay
50018428	1	ChEMBL_2273233	Positive allosteric modulator activity at human M4 receptor
50018428	2	ChEMBL_2273234	Positive allosteric modulator activity at rat M4 receptor by FLIPR assay
50018428	3	ChEMBL_2273235	Agonist activity at human TAAR1
50018428	4	ChEMBL_2273237	Agonist activity at 5HT1A (unknown origin)
50018428	5	ChEMBL_2273239	Agonist activity at D2 (unknown origin) by beta-arrestin recruitment assay
50018428	6	ChEMBL_2273241	Agonist activity at D2 (unknown origin) by HTRF assay
50018428	7	ChEMBL_2273242	Inhibition of human PDE9A expressed in Escherichia coli DH10 by scintillation proximity assay
50018429	1	ChEMBL_2273252	Inhibition of recombinant HER1 (645 to 1186 residues) (unknown origin) expressed in baculovirus infected sf9 cells autophosphorylation incubated for 1 hrs in presence of ATP by time-resolved fluorometry
50018429	2	ChEMBL_2273253	Inhibition of recombinant HER2 (676 to 1255 residues) (unknown origin) expressed in baculovirus infected sf9 cells autophosphorylation incubated for 1 hrs in presence of ATP by time-resolved fluorometry
50018429	3	ChEMBL_2273254	Inhibition of recombinant HER4 (unknown origin) expressed in baculovirus infected sf9 cells autophosphorylation incubated for 1 hrs in presence of ATP by time-resolved fluorometry
50018430	1	ChEMBL_2273255	Binding affinity to rat adenosine A1 receptor assessed as inhibition constant
50018430	2	ChEMBL_2273256	Binding affinity to human adenosine A2A receptor assessed as inhibition constant
50018430	3	ChEMBL_2273257	Binding affinity to human adenosine A2B receptor assessed as inhibition constant
50018430	4	ChEMBL_2273258	Binding affinity to human adenosine A3 receptor assessed as inhibition constant
50018430	5	ChEMBL_2273259	Binding affinity to bovine adenosine A1 receptor assessed as inhibition constant
50018430	6	ChEMBL_2273261	Binding affinity to rat adenosine A3 receptor assessed as inhibition constant
50018430	7	ChEMBL_2273262	Binding affinity to human adenosine A1 receptor assessed as inhibition constant
50018430	8	ChEMBL_2273263	Binding affinity to mouse adenosine A3 receptor assessed as inhibition constant
50018430	9	ChEMBL_2273264	Agonist activity at human P2Y1R in human 1321N1 cells
50018430	10	ChEMBL_2273266	Agonist activity at P2Y6R in mouse adipose tissue
50018430	11	ChEMBL_2273267	Inhibition of human recombinant ENT1 assessed as inhibition of [3H] uridine transport
50018430	12	ChEMBL_2273268	Inhibition of human CNT1
50018430	13	ChEMBL_2273269	Inhibition of human CNT2
50018430	14	ChEMBL_2273270	Inhibition of ENT1 (unknown origin)
50018430	15	ChEMBL_2273271	Inhibition of CNT1 (unknown origin)
50018430	16	ChEMBL_2273272	Inhibition of CNT2 (unknown origin)
50018430	17	ChEMBL_2273276	Binding affinity to 5HT2A receptor (unknown origin) assessed as inhibition constant
50018430	18	ChEMBL_2273277	Binding affinity to 5HT2B receptor (unknown origin) assessed as inhibition constant
50018430	19	ChEMBL_2273278	Binding affinity to 5HT2C receptor (unknown origin) assessed as inhibition constant
50018430	20	ChEMBL_2273279	Binding affinity to DOR (unknown origin)
50018430	21	ChEMBL_2273280	Binding affinity to KOR (unknown origin)
50018430	22	ChEMBL_2273282	Binding affinity to MOR (unknown origin)
50018430	23	ChEMBL_2273285	Inhibition of Grp94 (unknown origin)
50018432	1	ChEMBL_2273286	Binding affinity to recombinant human His-tagged VISTA ECD incubated for 2 hrs by TR-FRET assay
50018432	2	ChEMBL_2273287	Binding affinity to recombinant human VISTA ECD incubated for 2 hrs by ELISA assay
50018432	3	ChEMBL_2273288	Binding affinity to recombinant human His-tagged VISTA extracellular binding domain incubated for 30 mins by microscale thermophoresis analysis
50018432	4	ChEMBL_2273289	Binding affinity to recombinant human VSIG3 (23 to 241 residues extracellular binding domain expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by microscale thermophoresis analysis
50018432	5	ChEMBL_2273293	Inhibition of His-tagged human recombinant PD-L1 incubated for 15 mins by LANCE Ultra TR-FRET assay
50018432	6	ChEMBL_2273294	Inhibition of VISTA (unknown origin) incubated for 15 mins by LANCE Ultra TR-FRET assay
50018433	1	ChEMBL_2273297	Inhibition of AChE (unknown origin)
50018433	2	ChEMBL_2273298	Inhibition of BuChE (unknown origin)
50018433	3	ChEMBL_2273300	Binding affinity to horse serum BuChE using ATCh-iodide as substrate by ellman's method
50018433	4	ChEMBL_2273301	Binding affinity to AChE (unknown origin) assessed as inhibition constant
50018433	5	ChEMBL_2273302	Inhibition of electrical eel AChE by ellman's method
50018433	6	ChEMBL_2273303	Inhibition of equine serum BuChE by ellman's method
50018433	7	ChEMBL_2273305	Binding affinity to BuChE (unknown origin) assessed as inhibition constant by ellman's method
50018433	8	ChEMBL_2273307	Binding affinity to AChE (unknown origin) assessed as inhibition constant incubated for 30 mins by ellman's method
50018433	9	ChEMBL_2273308	Binding affinity to BuChE (unknown origin) assessed as inhibition constant incubated for 30 mins by ellman's method
50018433	10	ChEMBL_2273309	Binding affinity to electrical eel AChE assessed as inhibition constant incubated for 20 mins by absorbance based analysis
50018433	11	ChEMBL_2273310	Binding affinity to BuChE (unknown origin) assessed as inhibition constant
50018433	12	ChEMBL_2273311	Binding affinity to BuChE (unknown origin) assessed as inhibition constant incubated for 20 mins by absorbance based analysis
50018433	13	ChEMBL_2273314	Inhibition of electrical eel AChE using p-nitrophenyl glycopyranoside as substrate by DTNB-reagent based Ellman's method
50018433	14	ChEMBL_2273315	Inhibition of equine serum BuChE using p-nitrophenyl glycopyranoside as substrate by DTNB-reagent based Ellman's method
50018433	15	ChEMBL_2273316	Inhibition of mouse brain AChE
50018433	16	ChEMBL_2273317	Inhibition of mouse serum BuChE
50018434	1	ChEMBL_2273319	Binding affinity to Langerin (unknown origin) by [19F] R2-filtered NMR assay
50018434	2	ChEMBL_2273320	Inhibition of mannan binding to mouse Langerin extracellular domain by ELLA assay
50018434	3	ChEMBL_2273321	Inhibition of mannan binding to mouse Langerin extracellular domain assessed as apparent dissociation constant by ELLA assay
50018434	4	ChEMBL_2273322	Inhibition of DC-SIGN (unknown origin) by SPR competition binding assay
50018434	5	ChEMBL_2273323	Inhibition of DC-SIGN (unknown origin) by solid-phase fluorescence assay
50018434	6	ChEMBL_2273325	Inhibition of DC-SIGN (unknown origin) by SPR direct assay
50018434	7	ChEMBL_2273326	Inhibition of DC-SIGN (unknown origin) by ITC assay
50018434	8	ChEMBL_2273329	Inhibition of DC-SIGN (unknown origin)
50018434	9	ChEMBL_2273330	Inhibition of DC-SIGN (unknown origin) by high-throughput ELLA-type assay
50018434	10	ChEMBL_2273331	Inhibition of fluorescent labeled mannosylated BSA probe to DC-SIGN (unknown origin)
50018438	1	ChEMBL_2273349	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018438	2	ChEMBL_2273350	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018438	3	ChEMBL_2273351	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018438	4	ChEMBL_2273352	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018438	5	ChEMBL_2273353	Inhibition of CYP3A4 in human liver microsomes using Midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018438	6	ChEMBL_2273354	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition and measured after 15 mins by LC-MS/MS analysis
50018439	1	ChEMBL_2273369	Inhibition of PDE-5A (unknown origin)
50018439	2	ChEMBL_2273370	Inhibition of neutral endopeptidase (unknown origin)
50018439	3	ChEMBL_2273371	Inhibition of angiotensin 2 (unknown origin)
50018439	4	ChEMBL_2273372	Inhibition of human renin
50018439	5	ChEMBL_2273373	Inhibition of rat ROMK
50018439	6	ChEMBL_2273374	Inhibition of BRD4 (unknown origin)
50018443	1	ChEMBL_2273396	Inhibition of c-Met (unknown origin)
50018443	2	ChEMBL_2273397	Inhibition of VEGFR-2 (unknown origin)
50018443	3	ChEMBL_2273405	Inhibition of human MAO-A
50018443	4	ChEMBL_2273406	Inhibition of human MAO-B
50018443	5	ChEMBL_2273408	Inhibition of rat brain synaptosome MAO-A
50018443	6	ChEMBL_2273409	Inhibition of rat brain synaptosome MAO-B
50018443	7	ChEMBL_2273419	Inhibition of electric eel AChE
50018443	8	ChEMBL_2273422	Inhibition of MAO-B (unknown origin)
50018443	9	ChEMBL_2273423	Inhibition of human GSK-3beta
50018443	10	ChEMBL_2273425	Inhibition of ovine COX-1
50018443	11	ChEMBL_2273426	Inhibition of ovine COX-2
50018443	12	ChEMBL_2273439	Inhibition of aldose reductase (unknown origin)
50018443	13	ChEMBL_2273441	Inhibition of Saccharomyces cerevisiae alpha glucosidase
50018443	14	ChEMBL_2273444	Inhibition of recombinant human aromatase
50018443	15	ChEMBL_2273445	Inhibition of human CE1
50018444	1	ChEMBL_2273446	Inhibition of human PD-1/PD-L1 interaction
50018444	2	ChEMBL_2273447	Inhibition of human PD-1 expressed in rat PBMCs/human PD-L1 expressed in MDA-MB-231 cells protein-protein interaction assessed as increase in PBMCs proliferation
50018444	3	ChEMBL_2273453	Inhibition of PD-L1 in mouse splenocytes assessed as increase in INFgamma release
50018444	4	ChEMBL_2273454	Inhibition of PD-L1 in human PBMCs assessed as increase in INFgamma production
50018444	5	ChEMBL_2273455	Inhibition of PD-L2 in human PBMCs assessed as increase in INFgamma production
50018444	6	ChEMBL_2273457	Inhibition of PD-L2 in mouse splenocytes assessed as increase in INFgamma production
50018445	1	ChEMBL_2273458	Inhibition of FGFR1 (unknown origin) using FAM-P22 as substrate incubated for 1 hr in presence of ATP by mobility shift assay
50018445	2	ChEMBL_2273461	Inhibition of FGFR1 (unknown origin) in presence of ATP by caliper mobility shift assay
50018445	3	ChEMBL_2273462	Inhibition of FGFR1 (unknown origin) in presence of ATP
50018445	4	ChEMBL_2273463	Inhibition of FGFR1 (unknown origin)
50018445	5	ChEMBL_2273464	Inhibition of human recombinant FGFR1 using Poly (Glu, Tyr)4:1 as substrate incubated for 90 mins in presence of ATP by ELISA based spectrophotometer assay
50018445	6	ChEMBL_2273466	Inhibition of FGFR (unknown origin) using [gamma-33P]ATP as substrate incubated for 60 mins by Kinase-Glo Plus luminescence assay
50018445	7	ChEMBL_2273467	Inhibition of human BTK (382 to 659 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by ATP addition and measured upto 180 mins by microfluidic capillary electrophoresis analysis
50018445	8	ChEMBL_2273468	Inhibition of recombinant FGFR1 (unknown origin) expressed in Escherichia coli
50018445	9	ChEMBL_2273475	Inhibition of recombinant FGFR1 (unknown origin) incubated for 1 hr in presence of ATP by Z-LYTE enzymatic kinase assay
50018445	10	ChEMBL_2273476	Inhibition of recombinant FGFR2 (unknown origin) incubated for 1 hr in presence of ATP by Z-LYTE enzymatic kinase assay
50018445	11	ChEMBL_2273477	Inhibition of recombinant FGFR3 (unknown origin) incubated for 1 hr in presence of ATP by Z-LYTE enzymatic kinase assay
50018445	12	ChEMBL_2273478	Inhibition of recombinant FGFR4 (unknown origin) incubated for 1 hr in presence of ATP by Z-LYTE enzymatic kinase assay
50018446	1	ChEMBL_2273479	Inhibition of recombinant STAT3 (unknown origin) expressed in baculovirus in Sf9 insect cells assessed as reduction in DNA binding activity with NIH3T3 nuclear extract incubated for 30 mins by electrophoretic mobility shift assay
50018446	2	ChEMBL_2273480	Inhibition of STAT3 (unknown origin) DNA binding activity by electrophoretic mobility shift assay
50018446	3	ChEMBL_2273483	Binding affinity to STAT3 (unknown origin) by surface plasmon resonance assay
50018446	4	ChEMBL_2273485	Inhibition of recombinant STAT3 (unknown origin) incubated for 30 mins by high-throughput fluorescence microscopy
50018446	5	ChEMBL_2273486	Inhibition of STAT3 in human HepG2 cells assessed as inhibition of IL-6 induced STAT3 phosphorylation incubated for 60 mins by western blot assay
50018446	6	ChEMBL_2273487	Inhibition of STAT3 in human HepG2 cells assessed as inhibition of IL-6 induced STAT3 translocation incubated for 60 mins by confocal fluorescence microscopy
50018446	7	ChEMBL_2273489	Binding affinity to STAT3 (127 to 722 residues) (unknown origin) by microscale thermophoresis analysis
50018446	8	ChEMBL_2273490	Inhibition of STAT3 in human KG-1 cells assessed as inhibition of G-CSF induced STAT3 phosphorylation incubated for 60 mins by western blot assay
50018446	9	ChEMBL_2273491	Inhibition of STAT3 in human NB-4 cells assessed as inhibition of G-CSF induced STAT3 phosphorylation incubated for 60 mins by western blot assay
50018446	10	ChEMBL_2273494	Inhibition of human recombinant STAT3 assessed as reduction in DNA binding activity with HepG2 nuclear extract incubated for 1 hr by ELISA assay
50018446	11	ChEMBL_2273495	Inhibition of FLAG-tagged STAT3 (unknown origin) expressed in human NCI-H1299 cells assessed as reduction in DNA binding activity incubated for 20 mins in presence of [gamma-32P]ATP-labeled SIE probe by electrophoretic mobility shift assay
50018446	12	ChEMBL_2273496	Inhibition of STAT3 (unknown origin) stably expressed in human MDA-MB-231 cells incubated for 48 hrs by Luciferase reporter assay
50018446	13	ChEMBL_2273501	Inhibition of recombinant YFP tagged STAT3 (127 to 688 residues) (unknown origin) incubated for 24 hrs by EMSA analysis
50018446	14	ChEMBL_2273502	Inhibition of STAT3 (unknown origin) by fluorescence polarization assay
50018446	15	ChEMBL_2273503	Inhibition of STAT3 (unknown origin) expressed in mouse NIH3T3 cells assessed as reduction in DNA binding activity incubated for 20 mins in presence of [gamma-32P]ATP by electrophoretic mobility shift assay
50018446	16	ChEMBL_2273504	Inhibition of recombinant STAT3 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as reduction in DNA binding activity with SK-MEL-5 nuclear extract incubated for 30 mins by electrophoretic mobility shift assay
50018447	1	ChEMBL_2273505	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 20 mins by microplate reader assay
50018447	2	ChEMBL_2273510	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins by spectrophotometer assay
50018447	3	ChEMBL_2273511	Inhibition of tyrosinase (unknown origin) using DOPA as substrate incubated for 15 min by spectrophotometer assay
50018447	4	ChEMBL_2273515	Inhibition of mushroom tyrosinase using L-DOPA as substrate pre-incubated for 10 mins followed by substrate addition and measured after 20 mins by microplate reader assay
50018447	5	ChEMBL_2273519	Inhibition of tyrosinase (unknown origin)
50018448	1	ChEMBL_2273567	Inhibition of Staphylococcus aureus DNA gyrase
50018451	1	ChEMBL_2273591	Inhibition of human liver AOX using phthalazine as substrate incubated for 2.5 mins by HPLC-MS analysis
50018451	2	ChEMBL_2273592	Inhibition of human AOX using phthalazine as substrate preincubated for 30 mins followed by substrate addition by HPLC-MS analysis
50018453	1	ChEMBL_2273648	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assay
50018453	2	ChEMBL_2273649	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assay
50018454	1	ChEMBL_2273677	Inhibition of c-Kit (unknown origin)
50018454	2	ChEMBL_2273688	Inhibition of BCR-ABL phosphorylation at tyrosine 210 residue in human ALL5 cells
50018454	3	ChEMBL_2273689	Inhibition of BCR-ABL phosphorylation at tyrosine 185 residue in human ALL5 cells
50018454	4	ChEMBL_2273690	Inhibition of BCR-ABL (unknown origin)
50018454	5	ChEMBL_2273727	Inhibition of FMS (unknown origin)
50018454	6	ChEMBL_2273728	Inhibition of KDR (unknown origin)
50018455	1	ChEMBL_2273742	Inhibition of LIN28A (unknown origin) by FRET assay
50018455	2	ChEMBL_2273770	Inhibition of AGO2 (unknown origin)
50018455	3	ChEMBL_2273771	Binding affinity to AGO2 (unknown origin) assessed as dissociation constant by RIP assay
50018456	1	ChEMBL_2273844	Binding affinity to UGT1A6 (unknown origin) assessed as inhibition constant
50018456	2	ChEMBL_2273845	Binding affinity to UGT2B7 (unknown origin) assessed as inhibition constant
50018456	3	ChEMBL_2273846	Inhibition of rat Cyp2c11
50018456	4	ChEMBL_2273847	Binding affinity to rat Cyp2c11
50018456	5	ChEMBL_2273848	Inhibition of rat CYP1A2
50018456	6	ChEMBL_2273849	Binding affinity to rat CYP1A2
50018456	7	ChEMBL_2273850	Inhibition of rat CYP3A2
50018456	8	ChEMBL_2273851	Binding affinity to rat CYP3A2
50018457	1	ChEMBL_2273897	Displacement of [3H]-17beta-estradiol to estrogen receptor (unknown origin)
50018457	2	ChEMBL_2273921	Inhibition of human 11beta-HSD1
50018457	3	ChEMBL_2273922	Inhibition of mouse 11beta-HSD1
50018458	1	ChEMBL_2273924	Inhibition of SHP2 (unknown origin)
50018458	2	ChEMBL_2273925	Inhibition of human SHP2 (205 to 593 residues) using DiFMUP as substrate by fluorescence based analysis
50018458	3	ChEMBL_2273926	Inhibition of human SHP2 (225 to 541 residues) using pNPP as substrate by microplate reader based analysis
50018458	4	ChEMBL_2273927	Inhibition of GST fused SHP2 PTP domain (unknown origin) using Thr-Arg-Asp-Ile-Tyr[PO3H2]-Glu-Thr-Asp-Tyr-Tyr as substrate incubated for 30 mins by malachite green staining based analysis
50018458	5	ChEMBL_2273928	Binding affinity to SHP2 (unknown origin) assessed as inhibition constant
50018458	6	ChEMBL_2273929	Binding affinity to GLEPP1 (unknown origin) assessed as inhibition constant
50018458	7	ChEMBL_2273930	Inhibition of SHP2 (unknown origin) using pNPP as substrate by spectrophotometer analysis
50018458	8	ChEMBL_2273931	Inhibition of GST fused SHP2 PTP domain (unknown origin) using EFpYAEVGRSPPDPAK peptide as substrate incubated for 30 mins by malachite green staining based analysis
50018458	9	ChEMBL_2273932	Inhibition of SHP1 (unknown origin)
50018458	10	ChEMBL_2273934	Inhibition of human His6-tagged wild type SHP2 PTP domain using pNPP as substrate by absorbance based analysis
50018461	1	ChEMBL_2273937	Inhibition of plasma kallikrein (unknown origin)
50018461	2	ChEMBL_2273938	Inhibition of plasmin (unknown origin)
50018461	3	ChEMBL_2273939	Inhibition of thrombin (unknown origin)
50018461	4	ChEMBL_2273940	Inhibition of fXa (unknown origin)
50018461	5	ChEMBL_2273941	Inhibition of fXIa (unknown origin)
50018461	6	ChEMBL_2273942	Inhibition of fXIIa (unknown origin)
50018461	7	ChEMBL_2273943	Inhibition of human fXIa
50018461	8	ChEMBL_2273944	Inhibition of human KLK1
50018461	9	ChEMBL_2273945	Inhibition of KLK1 (unknown origin)
50018461	10	ChEMBL_2273946	Inhibition of human fXIa using Z-Gly-Pro-Arg-AFC as substrate
50018461	11	ChEMBL_2273947	Inhibition of human fXIIa using H-DPro-Phe-Arg-AFC as substrate
50018461	12	ChEMBL_2273948	Inhibition of human trypsin
50018461	13	ChEMBL_2273949	Inhibition of human plasmin
50018461	14	ChEMBL_2273950	Inhibition of human thrombin
50018461	15	ChEMBL_2273951	Inhibition of trypsin (unknown origin)
50018461	16	ChEMBL_2273952	Inhibition of rat recombinant plasma kallikrein using Z-FR-AMC as substrate assessed as inhibition constant by fluorescence plate reader analysis
50018461	17	ChEMBL_2273953	Inhibition of human plasmin using H-d-VLK-AM as substrate assessed as inhibition constant by fluorescence plate reader analysis
50018461	18	ChEMBL_2273954	Inhibition of human thrombin using Z-GGR-AMC as substrate assessed as inhibition constant by fluorescence plate reader analysis
50018461	19	ChEMBL_2273955	Inhibition of human fXIa using Boc-FSR-AMC as substrate assessed as inhibition constant by fluorescence plate reader analysis
50018461	20	ChEMBL_2273956	Inhibition of human fXIIa using Z-GGR-AMC as substrate assessed as inhibition constant by fluorescence plate reader analysis
50018461	21	ChEMBL_2273957	Inhibition of Urokinase (unknown origin)
50018461	22	ChEMBL_2273958	Inhibition of human plasma kallikrein incubated for 1 hrs
50018461	23	ChEMBL_2273959	Inhibition of human plasma kallikrein using H-DPro-Phe-Arg-AFC as substrate
50018461	24	ChEMBL_2273960	Inhibition of human fXIa incubated for 1 hrs
50018461	25	ChEMBL_2273961	Inhibition of human fXIIa incubated for 1 hrs
50018461	26	ChEMBL_2273962	Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-p-nitroaniline as substrate assessed as inhibition constant
50018461	27	ChEMBL_2273963	Inhibition of human plasma kallikrein usingPro-Phe-Arg-AMC as substrate incubated for 5 mins
50018461	28	ChEMBL_2273964	Inhibition of human KLK1 using H-DVal-Leu-Arg-AFC as substrate
50018461	29	ChEMBL_2273965	Inhibition of human plasmin by fluorescence based analysis
50018461	30	ChEMBL_2273966	Inhibition of human thrombin by fluorescence based analysis
50018461	31	ChEMBL_2273967	Inhibition of human trypsin by fluorescence based analysis
50018461	32	ChEMBL_2273968	Inhibition of human fXA by fluorescence based analysis
50018461	33	ChEMBL_2273969	Inhibition of human fXIIA by fluorescence based analysis
50018463	1	ChEMBL_2273970	Inhibition of human EGFR T790M mutant (696 to 1022 residues) expressed in insect sf9 cells in presence of ATP by HTRF assay
50018463	2	ChEMBL_2273971	Inhibition of human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in insect sf9 cells in presence of ATP by HTRF assay
50018463	3	ChEMBL_2273972	Inhibition of human STAT3 using Ac-pYLPQTV-NH2 peptide as substrate incubated for 24 hrs by Fluorescence polarization assay
50018463	4	ChEMBL_2273973	Inhibition of human STAT3 expressed in human HepG2 cells incubated for 1.5 hrs by luciferase assay
50018464	1	ChEMBL_2273984	Inhibition of Staphylococcus aureus recombinant FTsZ preincubated for 10 mins followed by compound addition measured after 30 mins by Cytophos phosphate assay
50018464	2	ChEMBL_2273986	Inhibition of Escherichia coli recombinant FTsZ incubated for 10 mins in presence of GTP by spectrofluorimeter analysis
50018466	1	ChEMBL_2273994	Inhibition of human recombinant USP7 expressed in Escherichia coli sf9 cells
50018466	2	ChEMBL_2273995	Inhibition of human USP7 using Ub-EK L and EK as substrate
50018466	3	ChEMBL_2273996	Inhibition of human his tagged USP7 by Westernblot analysis
50018466	4	ChEMBL_2273997	Inhibition of human USP7
50018466	5	ChEMBL_2273998	Inhibition of human USP7 using UbA10 as substrate incubated for 10 mins by TR-FRET assay
50018466	6	ChEMBL_2273999	Inhibition of human USP7 using Ub-AMC as substrate
50018466	7	ChEMBL_2274000	Inhibition of human USP7 using Ub-Rho110 as substrate by SPR analysis
50018466	8	ChEMBL_2274001	Inhibition of human USP7 using Ub-Rho as substrate
50018466	9	ChEMBL_2274002	Inhibition of human USP7 by SPR analysis
50018466	10	ChEMBL_2274003	Inhibition of USP7 (unknown origin) by Ub-PLA2 assay
50018466	11	ChEMBL_2274004	Inhibition of USP47 (unknown origin)
50018466	12	ChEMBL_2274005	Inhibition of human recombinant USP47 expressed in Escherichia coli sf9 cells
50018466	13	ChEMBL_2274006	Inhibition of USP7 (unknown origin)
50018466	14	ChEMBL_2274007	Inhibition of human his tagged USP2 by Westernblot analysis
50018466	15	ChEMBL_2274008	Inhibition of human his tagged USP5 by Westernblot analysis
50018466	16	ChEMBL_2274009	Inhibition of human his tagged USP8 by Westernblot analysis
50018466	17	ChEMBL_2274010	Inhibition of human his tagged USP20 by Westernblot analysis
50018466	18	ChEMBL_2274011	Inhibition of human his tagged UCH-L1 by Westernblot analysis
50018466	19	ChEMBL_2274012	Inhibition of human his tagged UCH-L3 by Westernblot analysis
50018466	20	ChEMBL_2274014	Inhibition of human USP8 using Ub-AMC as substrate
50018466	21	ChEMBL_2274015	Inhibition of USP8 (unknown origin)
50018466	22	ChEMBL_2274016	Inhibition of human USP7 using Ub-Rho110 as substrate by fluorescence based SPR analysis
50018466	23	ChEMBL_2274017	Inhibition of human USP7 using Ub-Rho110 as substrate assessed as dissociation constant by fluorescence based SPR analysis
50018466	24	ChEMBL_2274018	Inhibition of human full length his tagged USP7 (208 to 560 residues) expressed in insect sf9 cells using monoubiquitinated ubiquitin-rhodamine as substrate incubated for 1 hrs by fluorescence based assay
50018466	25	ChEMBL_2274019	Inhibition of human his tagged USP7 (208 to 560 residues) catalytic domain expressed in insect sf9 cells using monoubiquitinated ubiquitin-rhodamine as substrate incubated for 1 hrs by fluorescence based assay
50018466	26	ChEMBL_2274021	Inhibition of human his tagged USP7 (208 to 560 residues) expressed in insect sf9 cells using monoubiquitinated ubiquitin-rhodamine as substrate assessed as dissociation constant incubated for 1 hrs by fluorescence based assay
50018466	27	ChEMBL_2274023	Inhibition of human USP7 using ubiquitin-Rh110 as substrate incubated for 30 mins by Fluorometric plate reader analysis
50018466	28	ChEMBL_2274024	Inhibition of human USP7 using human N-terminal GST-tagged UBA52 as substrate preincubated for 10 mins followed by substrate addition measured after 45 mins by coomassie brilliant blue staining-based SDS-PAGE analysis
50018466	29	ChEMBL_2274025	Inhibition of human USP7 using ubiquitin-Rh110 as substrate incubated for 23 to 45 mins by fluorescence based assay
50018466	30	ChEMBL_2274026	Inhibition of human USP7 using ubiquitin-Rho110 as substrate incubated for 1 hrs
50018466	31	ChEMBL_2274027	Inhibition of human USP7 using ubiquitin-Rho as substrate incubated for 1 hrs
50018466	32	ChEMBL_2274028	Inhibition of human USP7 using Ub-EKL as substrate by SDS-PAGE assay
50018466	33	ChEMBL_2274029	Inhibition of human USP47 using Ub-EKL as substrate by SDS-PAGE assay
50018466	34	ChEMBL_2274030	Inhibition of human USP7 using Ub-EKL as substrate
50018466	35	ChEMBL_2274031	Inhibition of human USP14 using Ub-PA as substrate assessed as deubiquitination level incubated for 1 hr by SDS-PAGE assay
50018466	36	ChEMBL_2274032	Inhibition of human USP5 using Ub-PA as substrate assessed as deubiquitination level incubated for 1 hr by SDS-PAGE assay
50018466	37	ChEMBL_2274034	Inhibition of human his tagged UCHL5 assessed as dissociation constant by SPR analysis
50018466	38	ChEMBL_2274035	Inhibition of human his tagged USP14 assessed as dissociation constant by SPR analysis
50018466	39	ChEMBL_2274036	Inhibition of human USP2 using Di-Ub IQF as substrate incubated for 15 mins by K63-2 assay
50018466	40	ChEMBL_2274037	Inhibition of human USP8 using Di-Ub IQF as substrate incubated for 15 mins by K63-2 assay
50018466	41	ChEMBL_2274041	Inhibition of human USP2 (258 to 605 residues) catalytic domain by fluorescence based assay
50018466	42	ChEMBL_2274044	Inhibition of USP9x (unknown origin)
50018466	43	ChEMBL_2274045	Inhibition of USP24 (unknown origin)
50018466	44	ChEMBL_2274046	Inhibition of USP28 (unknown origin) using Ub-Rho100 as substrate by calorimetric analysis
50018466	45	ChEMBL_2274047	Inhibition of USP25 (unknown origin) using Ub-Rho100 as substrate by calorimetric analysis
50018468	1	ChEMBL_2274050	Inhibition of TbetaR-1 (unknown origin)
50018468	2	ChEMBL_2274051	Inhibition of human GST tagged TGFbeta 1 using 3,3',5,5'-tetramethylbenzidine as substrate incubated for 30 mins in presence of ATP
50018468	3	ChEMBL_2274052	Inhibition of human GST tagged ALK3 incubated for 30 mins in presence of ATP by QSSA Kit method
50018468	4	ChEMBL_2274053	Inhibition of human His-tagged TbetaR-1 assessed as inhibition of SMAD3 phosphorylation by western blot analysis
50018468	5	ChEMBL_2274055	Inhibition of TbetaR-1 (unknown origin) assessed as inhibition constant by ELISA assay
50018468	6	ChEMBL_2274056	Inhibition of TbetaR-2 (unknown origin) assessed as inhibition constant by ELISA assay
50018468	7	ChEMBL_2274057	Inhibition of GST tagged TbetaR-1 (unknown origin) in the presence of 33 P-gamma ATP
50018468	8	ChEMBL_2274058	Inhibition of GST tagged TbetaR-1 (unknown origin) by Westernblot assay
50018469	1	ChEMBL_2274061	Inhibition of SE-Rh binding to human recombinant GSTO1 preincubated with compound for 30 mins followed by SE-Rh addition and measured after 1 hrs by SDS-PAGE based fluorescence analysis
50018469	2	ChEMBL_2274062	Inhibition of SE-Rh binding to human recombinant GSTO1 in human MDA-MB-435 cells incubated for 1 hrs by SDS-PAGE based fluorescence analysis
50018469	3	ChEMBL_2274063	Inhibition of human GBA2 over-expressed in HEK293T cells using 4-methylumbeliferone as substrate incubated for 1 hrs by FluoPol-ABPP assay
50018470	1	ChEMBL_2274068	Inhibition of Mycobacterium tuberculosis LdtMt2 assessed as inhibition
50018471	1	ChEMBL_2274085	Inhibition of human recombinant HDAC1 incubated for 60 mins by fluorescence based assay
50018471	2	ChEMBL_2274086	Inhibition of human recombinant HDAC3 incubated for 60 mins by fluorescence based assay
50018471	3	ChEMBL_2274087	Inhibition of human recombinant HDAC2 incubated for 60 mins by fluorescence based assay
50018471	4	ChEMBL_2274088	Inhibition of human recombinant HDAC8 incubated for 60 mins by fluorescence based assay
50018471	5	ChEMBL_2274089	Inhibition of recombinant HDAC3 (unknown origin) at 15 uM measured after 60 mins by fluorescence based analysis
50018471	6	ChEMBL_2274090	Inhibition of recombinant full length human HDAC3 expressed in insect Sf9 cells at 10 uM measured after 1 hr by EMSA analysis
50018471	7	ChEMBL_2274091	Binding affinity to human recombinant HDAC3 assessed as inhibition constant
50018471	8	ChEMBL_2274092	Inhibition of human recombinant HDAC3 at 0.5 uM using AMC-K(Ac)GL as substrate incubated for 60 mins by fluorescence based assay
50018471	9	ChEMBL_2274093	Inhibition of human recombinant HDAC1 at 0.1 uM using AMC-K(Ac)GL as substrate incubated for 60 mins by fluorescence based assay
50018471	10	ChEMBL_2274094	Inhibition of human recombinant HDAC2 at 0.1 uM using AMC-K(Ac)GL as substrate incubated for 60 mins by fluorescence based assay
50018471	11	ChEMBL_2274095	Inhibition of human recombinant HDAC3
50018471	12	ChEMBL_2274096	Inhibition of HDAC1 (unknown origin)
50018471	13	ChEMBL_2274097	Inhibition of HDAC2 (unknown origin)
50018471	14	ChEMBL_2274098	Inhibition of HDAC3 (unknown origin)
50018471	15	ChEMBL_2274099	Inhibition of human recombinant HDAC3 at 0.5 uM using Fluor-de-Lys substrate incubated for 30 mins by fluorometric activity assay
50018471	16	ChEMBL_2274100	Inhibition of human recombinant HDAC3 using (FAM)-labeled acetylated peptide substrate at 1 uM incubated for 17 hrs by fluorescence based analysis
50018471	17	ChEMBL_2274101	Inhibition of human recombinant HDAC1 using (FAM)-labeled acetylated peptide substrate at 1 uM incubated for 17 hrs by fluorescence based analysis
50018471	18	ChEMBL_2274102	Inhibition of human recombinant HDAC2 using (FAM)-labeled acetylated peptide substrate at 1 uM incubated for 17 hrs by fluorescence based analysis
50018471	19	ChEMBL_2274103	Inhibition of human recombinant HDAC6 using (FAM)-labeled acetylated peptide substrate at 1 uM incubated for 17 hrs by fluorescence based analysis
50018471	20	ChEMBL_2274104	Inhibition of human recombinant HDAC8 using (FAM)-labeled acetylated peptide substrate at 1 uM incubated for 17 hrs by fluorescence based analysis
50018471	21	ChEMBL_2274105	Inhibition of HDAC6 (unknown origin)
50018471	22	ChEMBL_2274106	Inhibition of HDAC8 (unknown origin)
50018471	23	ChEMBL_2274108	Inhibition of human recombinant HDAC1 at 50 uM measured after 24 hrs by fluorometric analysis
50018471	24	ChEMBL_2274109	Inhibition of recombinant HDAC2 (unknown origin) at 50 uM measured after 24 hrs by fluorometric based analysis
50018471	25	ChEMBL_2274111	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 20 mins by fluorescence assay
50018471	26	ChEMBL_2274112	Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 20 mins by fluorescence assay
50018471	27	ChEMBL_2274113	Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 20 mins by fluorescence assay
50018471	28	ChEMBL_2274114	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 20 mins by fluorescence assay
50018471	29	ChEMBL_2274115	Inhibition of human recombinant HDAC3 (395 to 498 residues) by fluorescence assay
50018471	30	ChEMBL_2274116	Inhibition of human recombinant HDAC1 using Fluor-de-Lys as substrate at 50 uM for 30 mins by fluorescence based assay
50018471	31	ChEMBL_2274117	Inhibition of human recombinant HDAC2 using Fluor-de-Lys as substrate at 50 uM for 30 mins by fluorescence based assay
50018471	32	ChEMBL_2274118	Inhibition of human recombinant HDAC6 using Fluor-de-Lys as substrate at 50 uM for 30 mins by fluorescence based assay
50018471	33	ChEMBL_2274119	Inhibition of human recombinant HDAC3 using Fluor-de-Lys as substrate at 50 uM for 30 mins by fluorescence based assay
50018471	34	ChEMBL_2274120	Inhibition of human recombinant HDAC10 using Fluor-de-Lys as substrate at 50 uM for 30 mins by fluorescence based assay
50018471	35	ChEMBL_2274121	Inhibition of HDAC3 (unknown origin) at 10 uM
50018471	36	ChEMBL_2274122	Inhibition of human HDAC1 by fluorescence based assay method
50018471	37	ChEMBL_2274123	Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay
50018471	38	ChEMBL_2274124	Inhibition of human HDAC1 using fluorogenic as substrate measured after 30 mins by fluorescence based analysis
50018471	39	ChEMBL_2274125	Inhibition of human HDAC2 using fluorogenic as substrate measured after 30 mins by fluorescence based analysis
50018471	40	ChEMBL_2274126	Inhibition of human HDAC3 using fluorogenic as substrate measured after 30 mins by fluorescence based analysis
50018471	41	ChEMBL_2274127	Inhibition of human HDAC6 using fluorogenic as substrate measured after 30 mins by fluorescence based analysis
50018471	42	ChEMBL_2274128	Inhibition of human recombinant HDAC1 expressed in baculovirus by using Boc-L-Lys(Ac)-AMC as substrate measured after 24 hrs by fluorescence based analysis
50018471	43	ChEMBL_2274129	Inhibition of human recombinant HDAC2 expressed in baculovirus by using Boc-L-Lys(Ac)-AMC as substrate measured after 24 hrs by fluorescence based analysis
50018471	44	ChEMBL_2274130	Inhibition of human recombinant HDAC3 expressed in baculovirus by using Boc-L-Lys(Ac)-AMC as substrate measured after 24 hrs by fluorescence based analysis
50018471	45	ChEMBL_2274131	Inhibition of human recombinant HDAC8 expressed in Escherichia coli BL21 (DE3) cells by using Boc-L-Lys(Ac)-AMC as substrate measured after 24 hrs by fluorescence based analysis
50018471	46	ChEMBL_2274132	Inhibition of HDAC1 (unknown origin) using Boc-Lys (Ac)-AMC as substrate measured after 30 mins by fluorescence based analysis
50018471	47	ChEMBL_2274133	Inhibition of HDAC3 (unknown origin) using Boc-Lys (Ac)-AMC as substrate measured after 30 mins by fluorescence based analysis
50018471	48	ChEMBL_2274134	Inhibition of HDAC6 (unknown origin) using Boc-Lys (Ac)-AMC as substrate measured after 30 mins by fluorescence based analysis
50018471	49	ChEMBL_2274135	Inhibition of human HDAC1 using human HeLa cell nuclear extract at 1 uM measured after 60 mins by fluorescence assay
50018471	50	ChEMBL_2274136	Inhibition of human HDAC2 using human HeLa cell nuclear extract at 1 uM measured after 60 mins by fluorescence assay
50018471	51	ChEMBL_2274137	Inhibition of human HDAC3 using human HeLa cell nuclear extract at 1 uM measured after 60 mins by fluorescence assay
50018471	52	ChEMBL_2274138	Inhibition of HDAC3 (unknown origin) at 5uM
50018471	53	ChEMBL_2274139	Inhibition of HDAC1 (unknown origin) using acetylated 7-amino-4-methylcoumarin (AMC) as peptide substrate measured after 20 mins by fluorescence based analysis
50018471	54	ChEMBL_2274140	Inhibition of HDAC2 (unknown origin) using acetylated 7-amino-4-methylcoumarin (AMC) as peptide substrate measured after 20 mins by fluorescence based analysis
50018471	55	ChEMBL_2274141	Inhibition of HDAC3 (unknown origin) using acetylated 7-amino-4-methylcoumarin (AMC) as peptide substrate measured after 20 mins by fluorescence based analysis
50018472	1	ChEMBL_2274176	Inhibition of KEAP1/Nrf2 (unknown origin) protein-protein interaction
50018473	1	ChEMBL_2274181	Agonist activity at TLR-7 (unknown origin) by reporter gene assay
50018473	2	ChEMBL_2274182	Binding affinity to ERK1 (unknown origin) by surface plasmon resonance assay
50018473	3	ChEMBL_2274184	Agonist activity at TLR8 (unknown origin)
50018473	4	ChEMBL_2274186	Agonist activity at human TLR8 transfected in HEK-Blue hTLR8 cells
50018473	5	ChEMBL_2274187	Agonist activity at human TLR7 transfected in HEK-Blue hTLR7 cells
50018473	6	ChEMBL_2274188	Agonist activity in TLR8 (unknown origin) expressed in HEK293 cells assessed as induction of NF-kappa activation
50018473	7	ChEMBL_2274190	Agonist activity at human TLR8
50018473	8	ChEMBL_2274191	Inhibition of human TLR8
50018473	9	ChEMBL_2274192	Activation of TLR7 (unknown origin)
50018473	10	ChEMBL_2274193	Activation of TLR8 (unknown origin)
50018476	1	ChEMBL_2274197	Inhibition of MMP-9 (unknown origin)
50018476	2	ChEMBL_2274198	Inhibition of MMP-2 (unknown origin)
50018476	3	ChEMBL_2274199	Inhibition of MMP-9 (unknown origin) assessed as inhibition constant
50018476	4	ChEMBL_2274200	Inhibition of MMP-2 (unknown origin) assessed as inhibition constant
50018476	5	ChEMBL_2274201	Inhibition of MMP-1 (unknown origin)
50018476	6	ChEMBL_2274202	Inhibition of MMP-3 (unknown origin)
50018476	7	ChEMBL_2274203	Inhibition of MMP-13 (unknown origin)
50018476	8	ChEMBL_2274204	Inhibition of MMP-9 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as fluorometric substrate preincubated for 30 mins followed by substrate addition by fluorometric analysis
50018476	9	ChEMBL_2274205	Inhibition of MMP-2 (unknown origin) using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as fluorometric substrate preincubated for 30 mins followed by substrate addition by fluorometric analysis
50018476	10	ChEMBL_2274206	Inhibition of human MMP-9 assessed as inhibition constant using MCA-Pro-Leu-Gly-Leu-DPA-Ala-Arg-NH2 substrate by fluorimetric analysis
50018476	11	ChEMBL_2274207	Inhibition of human MMP-2 assessed as inhibition constant using MCA-Pro-Leu-Gly-Leu-DPA-Ala-Arg-NH2 substrate by fluorimetric analysis
50018476	12	ChEMBL_2274208	Inhibition of MMP-9 (unknown origin) assessed as inhibition constant using Mca-Pro-Leu-Gly-Dpa-Ala-Arg-NH2 substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorimetric analysis
50018476	13	ChEMBL_2274209	Inhibition of MMP-2 (unknown origin) assessed as inhibition constant using Mca-Pro-Leu-Gly-Dpa-Ala-Arg-NH2 substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorimetric analysis
50018476	14	ChEMBL_2274210	Inhibition of human MMP-9
50018476	15	ChEMBL_2274211	Inhibition of human MMP-2
50018476	16	ChEMBL_2274212	Inhibition of MMP-8 (unknown origin)
50018476	17	ChEMBL_2274214	Inhibition of human MMP9 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 substrate by fluorimetric analysis
50018476	18	ChEMBL_2274215	Inhibition of human MMP2 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 substrate by fluorimetric analysis
50018476	19	ChEMBL_2274216	Inhibition of human MMP1 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 substrate by fluorimetric analysis
50018476	20	ChEMBL_2274217	Inhibition of human MMP3 using (7-methoxycoumarine-4-yl)-Arg-Pro-Lys-Pro-Tyr-Ala-Nva-Trp-Met-Lys(Dnp)-NH2 substrate by fluorimetric analysis
50018476	21	ChEMBL_2274218	Inhibition of human MMP13 using Dnp-Pro-Cha-Gly-Cys(Me)-His-Ala-Lys(Nma)-NH2 substrate by fluorimetric analysis
50018476	22	ChEMBL_2274219	Inhibition of MMP-2 (unknown origin) using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5) as substrate measured upto 20 mins by microplate reader analysis
50018476	23	ChEMBL_2274220	Inhibition of MMP-9 (unknown origin) using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5) as substrate measured upto 20 mins by microplate reader analysis
50018476	24	ChEMBL_2274221	Inhibition of MMP-9 (unknown origin) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence analysis
50018476	25	ChEMBL_2274222	Inhibition of MMP2 (unknown origin) using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by fluorescence analysis
50018476	26	ChEMBL_2274223	Inhibition of human MMP2 incubated for 1 hrs followed by chromogenic substrate addition and measured after 30 mins by microplate photometer analysis
50018476	27	ChEMBL_2274224	Inhibition of human MMP9 incubated for 1 hrs followed by chromogenic substrate addition and measured after 30 mins by microplate photometer analysis
50018476	28	ChEMBL_2274225	Inhibition of recombinant human MMP9 using (7-methoxycoumarin-4-yl)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate incubated for 0.5 hrs followed by substrate addition and measured for 16 hrs by fluorescence microplate reader analysis
50018476	29	ChEMBL_2274226	Inhibition of recombinant human MMP2 using (7-methoxycoumarin-4-yl)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate incubated for 0.5 hrs followed by substrate addition and measured for 16 hrs by fluorescence microplate reader analysis
50018476	30	ChEMBL_2274227	Inhibition of MMP-9 (unknown origin) by fluorimetric assay
50018476	31	ChEMBL_2274228	Inhibition of MMP-2 (unknown origin) by fluorimetric assay
50018476	32	ChEMBL_2274229	Inhibition of MMP-9 (unknown origin) using Ac-Pro-Leu-Gly-SCH(CH2 CH(CH3)2)CO-Leu-Gly-OCH2CH3 as substrate preincubated of 0.5 hrs followed by substrate addition and measured after 3 hrs by fluorescence analysis
50018476	33	ChEMBL_2274231	Inhibition of recombinant human MMP1 expressed in Escherichia coli BL21 (DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence assay
50018476	34	ChEMBL_2274232	Inhibition of recombinant human full length MMP2 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence microplate reader analysis
50018476	35	ChEMBL_2274233	Inhibition of recombinant human MMP3 expressed in Escherichia coli BL21 (DE3) using [3H]transferrin as substrate incubated for 3 hrs by scintillation counter analysis
50018476	36	ChEMBL_2274234	Inhibition of recombinant human MMP7 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence microplate reader analysis
50018476	37	ChEMBL_2274235	Inhibition of recombinant human MMP8 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence microplate reader analysis
50018476	38	ChEMBL_2274236	Inhibition of recombinant human MMP9 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence microplate reader analysis
50018476	39	ChEMBL_2274237	Inhibition of recombinant human MMP13 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 20 to 30 mins by fluorescence microplate reader analysis
50018476	40	ChEMBL_2274238	Inhibition of recombinant human MMP1 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate by fluorometer analysis
50018476	41	ChEMBL_2274239	Inhibition of recombinant human MMP2 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate by fluorometer analysis
50018476	42	ChEMBL_2274240	Inhibition of recombinant human MMP3 using (7-methoxycoumarine-4-yl)-Arg-Pro-Lys-Pro-Tyr-Ala-Nva-Trp-Met-Lys(Dnp)-NH2 as substrate by fluorometer analysis
50018476	43	ChEMBL_2274241	Inhibition of recombinant human MMP9 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate by fluorometer analysis
50018476	44	ChEMBL_2274242	Inhibition of recombinant human MMP13 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate by fluorometer analysis
50018476	45	ChEMBL_2274243	Inhibition of rat MMP-13
50018476	46	ChEMBL_2274244	Inhibition of MMP-7 (unknown origin)
50018476	47	ChEMBL_2274245	Inhibition of TACE (unknown origin)
50018476	48	ChEMBL_2274246	Inhibition of MMP-1 (unknown origin) by fluorimetric assay
50018476	49	ChEMBL_2274247	Inhibition of human MMP1 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 6 hrs by fluorimeter analysis
50018476	50	ChEMBL_2274248	Inhibition of human MMP2 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 6 hrs by fluorimeter analysis
50018476	51	ChEMBL_2274249	Inhibition of human MMP3 using (7-methoxycoumarine-4-yl)-Arg-Pro-Lys-Pro-Tyr-Ala-Nva-Trp-Met-Lys(Dnp)-NH2 as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 6 hrs by fluorimeter analysis
50018476	52	ChEMBL_2274250	Inhibition of human MMP9 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 6 hrs by fluorimeter analysis
50018476	53	ChEMBL_2274251	Inhibition of human MMP13 using Dnp-Pro-Cha-Gly-Cys(ME)-His-Ala-Lys(Nma)-NH2 as substrate preincubated for 0.5 hrs followed by substrate addition and measured after 6 hrs by fluorimeter analysis
50018478	1	ChEMBL_2274261	Inhibition of human ERG
50018480	1	ChEMBL_2274263	Inhibition of mushroom tyrosinase
50018481	1	ChEMBL_2274291	Inhibition of Mycobacterium tuberculosis DHFR
50018481	2	ChEMBL_2274297	Inhibition of recombinant Mycobacterium tuberculosis DHFR using dihydrofolate as substrate preincubated for 1 min followed by substrate addition and further incubated for 2 mins in presence of NADPH by spectrophotometer
50018481	3	ChEMBL_2274299	Inhibition of Escherichia coli DHFR in presence of NADPH
50018481	4	ChEMBL_2274300	Inhibition of Escherichia coli DHFR
50018481	5	ChEMBL_2274301	Inhibition of Escherichia coli DfrA1
50018481	6	ChEMBL_2274304	Inhibition of Escherichia coli DHFR assessed as inhibition constant
50018481	7	ChEMBL_2274305	Inhibition of wild type Staphylococcus aureus DHFR
50018481	8	ChEMBL_2274312	Inhibition of Staphylococcus aureus DHFR
50018482	1	ChEMBL_2274326	Inhibition of autotaxin (unknown origin)
50018482	2	ChEMBL_2274327	Inhibition of HIV-1 protease
50018482	3	ChEMBL_2274331	Inhibition of human neutrophil elastase
50018483	1	ChEMBL_2274332	Inhibition of mouse ABHD6 expressed in COS-7 cells using 2-[3H]AG as substrate incubated for 30 mins by liquid scintillation analysis
50018483	2	ChEMBL_2274333	Inhibition of mouse MAGL expressed in COS-7 cells using 2-[3H]AG as substrate incubated for 30 mins by liquid scintillation analysis
50018483	3	ChEMBL_2274334	Inhibition of mouse FAAH expressed in COS-7 cells using [3H]AEA as substrate incubated for 30 mins by liquid scintillation analysis
50018483	4	ChEMBL_2274337	Inhibition of human recombinant ABHD6 expressed in COS-7 cells in presence of FP-rhodamine labeled probe by SDS-PAGE based gel fluorescence scanning analysis
50018483	5	ChEMBL_2274339	Inhibition of ABHD6 in mouse brain membrane using FP-biotin as substrate incubated for 1 hr by LC-MS based ABPP-MudPIT analysis
50018483	6	ChEMBL_2274340	Inhibition of human ABHD6 expressed in HEK293 cells using 1-AG as substrate incubated for 90 mins by sensitive fluorescence glycerol assay
50018483	7	ChEMBL_2274342	Inhibition of human recombinant ABHD6
50018483	8	ChEMBL_2274344	Inhibition of ABHD6 in mouse brain membrane using HT-01 probe as substrate incubated for 30 mins by gel based competitive ABPP assay
50018483	9	ChEMBL_2274345	Inhibition of human ABHD6 expressed in HEK293 cells using TAMRA-FP as substrate by SDS-PAGE gel based competitive ABPP assay
50018483	10	ChEMBL_2274346	Inhibition of human ABHD6 expressed in HEK293T cells assessed as inhibition constant using 2-AG as substrate incubated for 30 mins by fluorescence plate reader assay
50018483	11	ChEMBL_2274347	Inhibition of ABHD6 (unknown origin)
50018484	1	ChEMBL_2274352	Inhibition of MCT1 (unknown origin)
50018484	2	ChEMBL_2274353	Inhibition of MCT4 (unknown origin)
50018484	3	ChEMBL_2274354	Inhibition of MCT1 (unknown origin) assessed as reduction in [14C]lactate uptake incubated for 20 mins by liquid scintillation counting analysis
50018484	4	ChEMBL_2274355	Inhibition of MCT4 (unknown origin) assessed as reduction in [14C]lactate uptake incubated for 20 mins by liquid scintillation counting analysis
50018484	5	ChEMBL_2274356	Inhibition of MCT1 in rat Brain-like endothelial cells incubated for 15 mins in presence of [14C]lactate by BCA protein assay
50018484	6	ChEMBL_2274359	Inhibition of MCT1 in rat Brain-like endothelial cells incubated for 15 mins in presence of [14C]lactic acid by scintillation counter assay
50018484	7	ChEMBL_2274361	Binding affinity to MCT1 in rat Erythrocyte assessed as inhibition constant
50018484	8	ChEMBL_2274362	Binding affinity to MCT2 in rat Erythrocyte assessed as inhibition constant
50018484	9	ChEMBL_2274363	Binding affinity to MCT1 (unknown origin) assessed as inhibition constant
50018484	10	ChEMBL_2274364	Binding affinity to MCT2 (unknown origin) assessed as inhibition constant
50018484	11	ChEMBL_2274365	Inhibition of MCT4 in human MDA-MB-231 cells by BCECF-AM dye based fluorescence assay
50018484	12	ChEMBL_2274367	Binding affinity to human MCT4 expressed in Xenopus laevis oocytes assessed as inhibition constant in presence of [14C]lactate by fluorescence assay
50018485	1	ChEMBL_2274440	Inhibition of Escherichia coli DNA gyrase
50018485	2	ChEMBL_2274459	Inhibition of Staphylococcus aureus DNA gyrase
50018485	3	ChEMBL_2274465	Inhibition of Mycobacterium tuberculosis DNA gyrase
50018485	4	ChEMBL_2274489	Inhibition of Staphylococcus aureus DNA gyrase assessed as relaxation of pBR322 DNA by supercoiling assay
50018485	5	ChEMBL_2274499	Inhibition of Mycobacterium tuberculosis (MTB) DNA gyrase using pBR322 DNA by supercoiling assay
50018485	6	ChEMBL_2274502	Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity
50018487	1	ChEMBL_2274535	Inhibition of human Aromatase
50018487	2	ChEMBL_2274536	Inhibtion of CYP1A (unknown origin)
50018487	3	ChEMBL_2274539	Inhibition of human recombinant aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate preincubated for 10 mins followed by compound addition measured after 30 mins in presence of NADPH by HTS analysis
50018489	1	ChEMBL_2274607	Inhibition of COX-2 (unknown origin) at 20 uM
50018489	2	ChEMBL_2274619	Inhibition of COX-2 (unknown origin)
50018489	3	ChEMBL_2274623	Inhibition of human recombinant COX-2
50018489	4	ChEMBL_2274628	Inhibition of human COX-2
50018489	5	ChEMBL_2274638	Inhibition of COX-2 (unknown origin) by AutoQSAR method
50018489	6	ChEMBL_2274659	Inhibition of COX-2 (unknown origin) by EIA kit method
50018489	7	ChEMBL_2274660	Inhibition of 5-LOX (unknown origin) after 5 mins by colorimetric method
50018489	8	ChEMBL_2274665	Inhibition of ovine COX-1 by EIA method
50018489	9	ChEMBL_2274666	Inhibition of human COX-2 assessed as by fluorescence based microplate reader assay
50018489	10	ChEMBL_2274679	Inhibition of COX-1 (unknown origin) at 40 uM relative to control
50018489	11	ChEMBL_2274694	Inhibition of COX-2 (unknown origin) assessed as inhibition at 10 uM
50018489	12	ChEMBL_2274695	Inhibition of COX-2 (unknown origin) at 10 uM
50018489	13	ChEMBL_2274696	Inhibition of COX-1 (unknown origin) at 10 uM
50018489	14	ChEMBL_2274702	Inhibition of COX-2 (unknown origin) at 5 uM by colorimetric method
50018489	15	ChEMBL_2274706	Inhibition of COX-2 (unknown origin) assessed as inhibition at 15 uM
50018489	16	ChEMBL_2274712	Inhibition of recombinant human sPLA2-V
50018489	17	ChEMBL_2274717	Inhibition of 15-LOX (unknown origin)
50018489	18	ChEMBL_2274719	Inhibition of human recombinant sEH
50018489	19	ChEMBL_2274727	Inhibition of ovine COX-1 at 1 uM
50018489	20	ChEMBL_2274728	Inhibition of human recombinant COX-2 at 1 uM
50018489	21	ChEMBL_2274729	Inhibition of LOX (unknown origin) at 1 uM
50018489	22	ChEMBL_2274730	Inhibition of human recombinant sPLA2-V at 1 uM
50018489	23	ChEMBL_2274736	Inhibition of COX-2 (unknown origin) at 0.5 uM by colorimetric assay
50018489	24	ChEMBL_2274745	Inhibition of COX-2 (unknown origin) at 0.1 uM
50018490	1	ChEMBL_2274756	Inhibition of human coagulation factor XIIIa assessed as inhibition of factor 13a mediated crosslinking of fibronectin-collagen incubated for 2 hrs by SDS-PAGE analysis
50018490	2	ChEMBL_2274760	Inhibition of human plasma coagulation factor XIIIa
50018490	3	ChEMBL_2274768	Inhibition of human plasma coagulation factor XIIIa by fluorescence spectrophotometeric assay
50018490	4	ChEMBL_2274769	Inhibition of human recombinant coagulation factor XIIIa incubated for 55 mins by fluorometric assay
50018490	5	ChEMBL_2274770	Inhibition of tissue transglutaminase (unknown origin)
50018490	6	ChEMBL_2274771	Inhibition of human coagulation factor XIIIa
50018490	7	ChEMBL_2274772	Inhibition of human recombinant coagulation factor XIIIa
50018490	8	ChEMBL_2274774	Binding affinity to human coagulation factor XIIIa by Spectrofluorometric assay
50018490	9	ChEMBL_2274779	Inhibition of human coagulation factor XIIIa assessed as inhibition of factor 13a mediated fibrin polymerization incubated for 24 hrs by SDS-PAGE analysis
50018491	1	ChEMBL_2274806	Inhibition of aromatase in human MCF-7aro cells using [1beta-3H] androstenedione as substrate incubated for 1 hrs
50018491	2	ChEMBL_2274807	Inhibition of aromatase in disrupted human MCF-7aro cells using [1beta-3H] androstenedione as substrate incubated for 1 hrs in the presence of NADPH
50018493	1	ChEMBL_2274854	Binding affinity to recombinant His-tagged human Bcl-2 expressed in Escherichia coli assessed as inhibition constant by SPR analysis
50018493	2	ChEMBL_2274855	Binding affinity to recombinant His-tagged human Bcl-xL expressed in Escherichia coli assessed as inhibition constant by SPR analysis
50018493	3	ChEMBL_2274856	Inhibition of Flu-BakBH3 binding to recombinant GST-tagged Bcl-2 (unknown origin) incubated for 30 mins by competitive fluorescence polarization assay
50018493	4	ChEMBL_2274857	Inhibition of Flu-BakBH3 binding to Bcl-2 (unknown origin) assessed as inhibition constant by competitive fluorescence polarization assay
50018493	5	ChEMBL_2274858	Inhibition of BH3 peptide binding to Bcl-2 (unknown origin)
50018493	6	ChEMBL_2274859	Inhibition of BH3 peptide binding to Bcl-xL (unknown origin)
50018493	7	ChEMBL_2274860	Inhibition of BH3 peptide binding to Mcl-1 (unknown origin)
50018493	8	ChEMBL_2274861	Inhibition of BH3 peptide binding to Bfl-1 (unknown origin)
50018493	9	ChEMBL_2274862	Inhibition of Flu-BakBH3 binding to GST-tagged Bcl-2 (unknown origin) preincubated for 10 mins followed by Flu-BakBH3 addition and measured after 30 mins by competitive fluorescence polarization assay
50018493	10	ChEMBL_2274863	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant
50018493	11	ChEMBL_2274864	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant
50018493	12	ChEMBL_2274865	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant
50018493	13	ChEMBL_2274870	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by TR-FRET assay
50018493	14	ChEMBL_2274871	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant by TR-FRET assay
50018493	15	ChEMBL_2274872	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant by TR-FRET assay
50018493	16	ChEMBL_2274873	Binding affinity to Bcl-w (unknown origin) assessed as inhibition constant by TR-FRET assay
50018493	17	ChEMBL_2274877	Binding affinity to Bcl-2 (unknown origin) by ELISA analysis
50018493	18	ChEMBL_2274878	Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by MST analysis
50018493	19	ChEMBL_2274880	Inhibition of Bcl-2 (unknown origin) by ELISA analysis
50018494	1	ChEMBL_2274890	Binding affinity to PARP-1 (unknown origin) assessed as inhibition constant incubated for 1 hr by topcount microplate scintillation counter analysis
50018494	2	ChEMBL_2274892	Inhibition of HSP90 (unknown origin)
50018496	1	ChEMBL_2274895	Inhibition of human HSP90
50018496	2	ChEMBL_2274896	Induction of HSF-1 (unknown origin) degradation assessed as ATPase activity by colorimetric assay
50018496	3	ChEMBL_2274902	Stabilization of 14-3-3 eta (unknown origin)/ c-Raf (unknown origin)
50018496	4	ChEMBL_2274904	Inhibition of human recombinant DHODH expressed in Escherichia coli BL21(DE3) cells by microplate reader analysis
50018497	1	ChEMBL_2274908	Inhibition of influenza A virus A/PR/8/34 (H1N1) neuraminidase
50018499	1	ChEMBL_2275039	Inhibition of soybean LOX-1
50018500	1	ChEMBL_2275058	Inhibition of SHP2 (unknown origin)
50018500	2	ChEMBL_2275059	Inhibition of recombinant GST-fused human SHP2 (205 to 593 residues) using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50018500	3	ChEMBL_2275060	Inhibition of recombinant GST-fused human SHP1 (205 to 597 residues) using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50018500	4	ChEMBL_2275061	Inhibition of recombinant GST-fused human PTP1B (1 to 435 residues) using DiFMUP as substrate incubated for 30 mins by fluorescence based assay
50018500	5	ChEMBL_2275062	Inhibition of SHP1 (unknown origin)
50018500	6	ChEMBL_2275063	Inhibition of PTP1B (unknown origin)
50018500	7	ChEMBL_2275066	Inhibition of SHP2 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50018500	8	ChEMBL_2275067	Inhibition of recombinant His-tag fused full length human SHP2 expressed in Escherichia coli BL21 USING pNPP as substrate incubated for 30 mins
50018500	9	ChEMBL_2275068	Inhibition of SHP2 ( 1 to 525 residues) (unknown origin)
50018501	1	ChEMBL_2275069	Inhibition of IDO1 (unknown origin)
50018501	2	ChEMBL_2275070	Binding affinity to IDO1 (unknown origin) assessed as inhibition constant
50018501	3	ChEMBL_2275072	Inhibition of human recombinant IDO1 expressed in Escherichia coli
50018501	4	ChEMBL_2275073	Inhibition of human IDO1 incubated for 30 mins by microplate reader based analysis
50018501	5	ChEMBL_2275074	Inhibition of human recombinant IDO1 using L-tryptophan as substrate incubated for 10 mins by absorbance based analysis
50018501	6	ChEMBL_2275075	Inhibition of IDO1 in human A549 cells by ELISA assay
50018501	7	ChEMBL_2275076	Inhibition of human IDO1 using L-tryptophan as substrate incubated for 1 hr by absorbance based analysis
50018501	8	ChEMBL_2275077	Inhibition of human IDO1 using L-tryptophan as substrate by methylene blue dye based spectrometric method
50018501	9	ChEMBL_2275079	Inhibition of mouse IDO1 using L-tryptophan as substrate by methylene blue dye based analysis
50018501	10	ChEMBL_2275080	Inhibition of IDO1 in human HeLa cells
50018501	11	ChEMBL_2275081	Inhibition of human recombinant IDO1 using L-tryptophan as substrate incubated for 45 mins by methylene blue dye based microplate reader analysis
50018501	12	ChEMBL_2275082	Inhibition of human IDO1
50018501	13	ChEMBL_2275083	Inhibition of IDO1 in HEK293 cells
50018501	14	ChEMBL_2275084	Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as substrate incubated for 30 mins by methylene blue dye based microplate reader analysis
50018501	15	ChEMBL_2275085	Inhibition of human N-terminal his6-tagged IDO1 expressed in Escherichia coli BL21 using L-tryptophan as substrate incubated for 90 mins by methylene blue dye based microplate reader analysis
50018501	16	ChEMBL_2275088	Inhibition of IDO1 in HEK293 cells incubated for 24 hrs by LC-MS/MS analysis
50018501	17	ChEMBL_2275089	Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate incubated for 48 hrs by absorbance based analysis
50018501	18	ChEMBL_2275090	Inhibition of human N-terminal his-tagged IDO1 expressed in Escherichia coli using L-tryptophan as substrate by UV absorption based analysis
50018501	19	ChEMBL_2275091	Inhibition of human recombinant N-terminal his6-tagged IDO1 expressed in Escherichia coli BL21 using L-tryptophan as substrate incubated for 1 hr by methylene blue dye based UV-Vis spectrophotometer analysis
50018501	20	ChEMBL_2275092	Inhibition of IDO1 in human MDA-MB-231 cells
50018501	21	ChEMBL_2275093	Inhibition of IDO1 in mouse LLTC cell line
50018501	22	ChEMBL_2275094	Inhibition of IDO1 in human HeLa cells assessed as inhibition of kynurenine production incubated for 30 mins by microplate reader based analysis
50018501	23	ChEMBL_2275095	Binding affinity to human recombinant IDO1 assessed as inhibition constant using L-tryptophan as substrate incubated for 10 mins by methylene blue dye based HPLC analysis
50018502	1	ChEMBL_2275222	Inhibition of 5-LOX in human neutrophils assessed as reduction in 5-HETE formation preincubated for 5 mins followed by arachidonic acid and A23187 addition and measured after 5 mins by RP-HPLC analysis
50018502	2	ChEMBL_2275290	Inhibition of STAT3 in human Hep3B cells assessed as inhibition of IL-6 stimulated STAT3 expression by luciferase reporter assay
50018503	1	ChEMBL_2275348	Binding affinity to human D2R assessed as inhibition constant
50018503	2	ChEMBL_2275349	Displacement of [3H]-methylspiperone from human D2 receptor transfected in Sf9 cells assessed as inhibition constant measured after 60 mins
50018503	3	ChEMBL_2275350	Displacement of [3H]-spiperone from human D2 receptor assessed as inhibition constant
50018503	4	ChEMBL_2275351	Displacement of [3H]-spiperone from human D3 receptor assessed as inhibition constant
50018503	5	ChEMBL_2275352	Displacement of [3H]-spiperone from human D4 receptor expressed in CHO-K1 cells assessed as inhibition constant measured after 60 mins
50018503	6	ChEMBL_2275354	Binding affinity to 5HT2A receptor (unknown origin) assessed as inhibition constant
50018503	7	ChEMBL_2275355	Binding affinity to human D4R assessed as inhibition constant
50018503	8	ChEMBL_2275356	Binding affinity to D2R (unknown origin) assessed as inhibition constant
50018503	9	ChEMBL_2275357	Binding affinity to D3R (unknown origin) assessed as inhibition constant
50018503	10	ChEMBL_2275358	Displacement of [3H]-spiperone from human D4 receptor expressed in HEK293 cells assessed as inhibition constant
50018503	11	ChEMBL_2275359	Displacement of [3H]-nemonapride from human D4 receptor expressed in CHO cells assessed as inhibition constant
50018503	12	ChEMBL_2275360	Binding affinity to human D3R assessed as inhibition constant
50018503	13	ChEMBL_2275361	Displacement of [3H]-spiperone from human D4 receptor expressed in CHO cells assessed as inhibition constant
50018503	14	ChEMBL_2275362	Binding affinity to human D2R assessed as inhibition constant by Cheng-Prusoff equation analysis
50018503	15	ChEMBL_2275363	Binding affinity to human D3R assessed as inhibition constant by Cheng-Prusoff equation analysis
50018503	16	ChEMBL_2275364	Agonist activity at human D2R expressed in HEK293 cells incubated for 3 mins by FLIPR analysis
50018503	17	ChEMBL_2275366	Displacement of [3H]-spiperone from human D2 receptor expressed in CHO cells assessed as inhibition constant
50018503	18	ChEMBL_2275367	Displacement of [3H]-spiperone from human D3 receptor expressed in CHO cells assessed as inhibition constant
50018503	19	ChEMBL_2275368	Agonist activity at human D4R assessed as [35S] GTPgammaS binding
50018503	20	ChEMBL_2275370	Displacement of [3H]-nemonapride from human D4 receptor assessed as inhibition constant
50018503	21	ChEMBL_2275371	Binding affinity to D4R (unknown origin) assessed as inhibition constant
50018503	22	ChEMBL_2275372	Displacement of [3H]-spiperone from human D4 receptor assessed as inhibition constant
50018503	23	ChEMBL_2275373	Agonist activity at human D4R expressed in HEK293 cells by calcium flux assay
50018503	24	ChEMBL_2275375	Binding affinity to D34 (unknown origin) assessed as inhibition constant
50018503	25	ChEMBL_2275376	Displacement of [3H]-spiperone from human D2 receptor expressed in Sf9 cells assessed as inhibition constant
50018503	26	ChEMBL_2275377	Displacement of [3H]-spiperone from human D3 receptor expressed in CCCL-1 cells assessed as inhibition constant
50018503	27	ChEMBL_2275378	Displacement of [3H]-spiperone from D4 (unknown origin) receptor expressed in CHO cells assessed as inhibition constant
50018503	28	ChEMBL_2275379	Agonist activity at human D4R
50018503	29	ChEMBL_2275381	Displacement of [3H]-methylspiperone from D4 (unknown origin) receptor expressed in HEK293T cells assessed as inhibition constant
50018503	30	ChEMBL_2275382	Displacement of [3H]N-methylspiperone from D4 (unknown origin) receptor expressed in HEK293 cells assessed as inhibition constant
50018503	31	ChEMBL_2275383	Agonist activity at D4R (unknown origin) by camp reporter assay
50018503	32	ChEMBL_2275385	Agonist activity at D4R (unknown origin) assessed as beta-arrestin recruitment
50018503	33	ChEMBL_2275386	Agonist activity at D4R (unknown origin)
50018503	34	ChEMBL_2275387	Agonist activity at D3R (unknown origin)
50018504	1	ChEMBL_2275397	Inhibition of BRD4 (unknown origin)
50018504	2	ChEMBL_2275399	Binding affinity to BRD4 BD2 (unknown origin)
50018504	3	ChEMBL_2275400	Inhibition of BRD4 BD1 (unknown origin) by chromatin/BRD4 displacement assay
50018504	4	ChEMBL_2275401	Inhibition of BRD4 BD2 (unknown origin) by chromatin/BRD4 displacement assay
50018505	1	ChEMBL_2275405	Agonist activity at human FPR2 expressed in HEK cells assessed as increase in calcium flux incubated for 40 mins by Fluo-4 staining based FLIPR assay
50018505	2	ChEMBL_2275407	Agonist activity at FPR1 (unknown origin) expressed in CHO/Galpha16 cells assessed as increase in calcium flux by FLIPR assay
50018505	3	ChEMBL_2275408	Agonist activity at FPR2 (unknown origin) expressed in CHO/Galpha16 cells assessed as increase in calcium flux by FLIPR assay
50018505	4	ChEMBL_2275412	Agonist activity at human FPR2 transfected in HL-60 cells assessed as increase in intracellular calcium flux incubated for 30 mins by Fluo-4 AM dye based fluorometer analysis
50018505	5	ChEMBL_2275413	Agonist activity at human FPR1 transfected in HL-60 cells assessed as increase in intracellular calcium flux incubated for 30 mins by Fluo-4 AM dye based fluorometer analysis
50018505	6	ChEMBL_2275416	Agonist activity at human FPR2 transfected in HL-60 cells assessed as increase in intracellular calcium flux incubated for 30 mins by Fluo-4 AM dye based FLIPR-fluorometeric assay
50018505	7	ChEMBL_2275417	Agonist activity at human FPR1 transfected in HL-60 cells assessed as increase in intracellular calcium flux incubated for 30 mins by Fluo-4 AM dye based FLIPR-fluorometeric assay
50018505	8	ChEMBL_2275431	Agonist activity at human FPR2 expressed in CHO cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	9	ChEMBL_2275432	Agonist activity at human FPR1 expressed in CHO cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	10	ChEMBL_2275433	Agonist activity at FPR2 (unknown origin) assessed as increase in calcium flux
50018505	11	ChEMBL_2275434	Agonist activity at human FPR2 expressed in HEK293 cells assessed as increase in calcium flux incubated for 45 mins by Fluo-4 AM dye based fluorescence assay
50018505	12	ChEMBL_2275438	Agonist activity at human FPR1 expressed in CHO-A12 cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	13	ChEMBL_2275439	Agonist activity at human FPR2 expressed in CHO-A12 cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	14	ChEMBL_2275440	Agonist activity at mouse FPR1 expressed in CHO-A12 cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	15	ChEMBL_2275441	Agonist activity at mouse FPR2 expressed in CHO-A12 cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	16	ChEMBL_2275450	Agonist activity at human FPR2 expressed in HEK293 cells assessed as increase in calcium flux incubated for 60 mins by FLIPR assay
50018505	17	ChEMBL_2275451	Agonist activity at human FPR1 expressed in CHO cells assessed as increase in calcium flux incubated for 50 mins by FLIPR calcium 5 dye based fluorescence assay
50018505	18	ChEMBL_2275452	Agonist activity at human FPR2 expressed in CHO cells assessed as increase in calcium flux incubated for 50 mins by FLIPR calcium 5 dye based fluorescence assay
50018505	19	ChEMBL_2275453	Agonist activity at mouse FPR3 expressed in CHO-A12 cells assessed as cAMP level incubated for 1.5 hr by HTRF assay
50018505	20	ChEMBL_2275454	Agonist activity at human FPR2 expressed in CHO-K1 cells by beta-arrestin recruitment assay
50018506	1	ChEMBL_2275464	Inhibition of AChE (unknown origin)
50018506	2	ChEMBL_2275465	Inhibition of BuChE (unknown origin)
50018506	3	ChEMBL_2275466	Inhibition of AChE (unknown origin) by Ellman's method
50018506	4	ChEMBL_2275467	Inhibition of AChE (unknown origin) incubated for 40 mins by Ellman's method
50018506	5	ChEMBL_2275468	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method
50018506	6	ChEMBL_2275469	Inhibition of BuChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method
50018506	7	ChEMBL_2275470	Inhibition of BACE1 (unknown origin)
50018506	8	ChEMBL_2275472	Inhibition of CDK1 (unknown origin)
50018506	9	ChEMBL_2275473	Inhibition of CDK2 (unknown origin)
50018506	10	ChEMBL_2275474	Inhibition of CDK5 (unknown origin)
50018506	11	ChEMBL_2275475	Inhibition of CDK7 (unknown origin)
50018506	12	ChEMBL_2275476	Inhibition of CDK9 (unknown origin)
50018506	13	ChEMBL_2275477	Inhibition of ROCK1 (unknown origin)
50018506	14	ChEMBL_2275478	Inhibition of ROCK2 (unknown origin)
50018506	15	ChEMBL_2275479	Inhibition of CLK1 (unknown origin)
50018506	16	ChEMBL_2275480	Inhibition of CLK2 (unknown origin)
50018506	17	ChEMBL_2275481	Inhibition of CLK3 (unknown origin)
50018506	18	ChEMBL_2275482	Inhibition of CLK4 (unknown origin)
50018506	19	ChEMBL_2275483	Inhibition of DYRK1A (unknown origin)
50018506	20	ChEMBL_2275484	Inhibition of DYRK1B (unknown origin)
50018506	21	ChEMBL_2275485	Inhibition of DYRK2 (unknown origin)
50018506	22	ChEMBL_2275486	Inhibition of DYRK3 (unknown origin)
50018506	23	ChEMBL_2275487	Inhibition of DYRK4 (unknown origin)
50018506	24	ChEMBL_2275488	Inhibition of ERK2 (unknown origin)
50018506	25	ChEMBL_2275489	Inhibition of FYN (unknown origin)
50018506	26	ChEMBL_2275490	Inhibition of GSK-3beta (unknown origin)
50018506	27	ChEMBL_2275491	Inhibition of LCK (unknown origin)
50018506	28	ChEMBL_2275492	Inhibition of LYN (unknown origin)
50018506	29	ChEMBL_2275493	Inhibition of MNB (unknown origin)
50018506	30	ChEMBL_2275494	Inhibition of PIM1 (unknown origin)
50018506	31	ChEMBL_2275495	Inhibition of PIM3 (unknown origin)
50018506	32	ChEMBL_2275496	Inhibition of PKA (unknown origin)
50018506	33	ChEMBL_2275497	Inhibition of PKC (unknown origin)
50018506	34	ChEMBL_2275498	Inhibition of MAO-A (unknown origin)
50018506	35	ChEMBL_2275499	Binding affinity to MAO-A (unknown origin) assessed as inhibition constant
50018506	36	ChEMBL_2275500	Inhibition of MAO-B (unknown origin)
50018506	37	ChEMBL_2275501	Inhibition of PDE5 (unknown origin)
50018506	38	ChEMBL_2275502	Binding affinity to PDE5 (unknown origin) assessed as inhibition constant
50018506	39	ChEMBL_2275503	Inhibition of NMDA receptor NR2B subunit (unknown origin)
50018506	40	ChEMBL_2275504	Antagonist activity at human mGlur2
50018506	41	ChEMBL_2275506	Binding affinity to human recombinant GABAA alpha1 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	42	ChEMBL_2275507	Binding affinity to human recombinant GABAA alpha2 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	43	ChEMBL_2275508	Binding affinity to human recombinant GABAA alpha3 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	44	ChEMBL_2275509	Binding affinity to human recombinant GABAA alpha4 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	45	ChEMBL_2275510	Binding affinity to human recombinant GABAA alpha5 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	46	ChEMBL_2275511	Binding affinity to human recombinant GABAA alpha6 receptor assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting analysis
50018506	47	ChEMBL_2275512	Inhibition of human recombinant GABAA alpha1 receptor
50018506	48	ChEMBL_2275513	Inhibition of human recombinant GABAA alpha2 receptor
50018506	49	ChEMBL_2275514	Inhibition of human recombinant GABAA alpha3 receptor
50018506	50	ChEMBL_2275515	Inhibition of human recombinant GABAA alpha4 receptor
50018506	51	ChEMBL_2275516	Inhibition of human recombinant GABAA alpha5 receptor
50018506	52	ChEMBL_2275517	Inhibition of human recombinant GABAA alpha6 receptor
50018506	53	ChEMBL_2275518	Displacement of [3H]-flumazenil from rat recombinant alpha1 GABAA receptor assessed as inhibition constant in presence of zolpidem
50018506	54	ChEMBL_2275519	Displacement of [3H]-flumazenil from rat recombinant alpha2 GABAA receptor assessed as inhibition constant in presence of zolpidem
50018506	55	ChEMBL_2275521	Inhibition of GABAA alpha1 receptor (unknown origin)
50018506	56	ChEMBL_2275522	Inhibition of GABAA alpha2 receptor (unknown origin)
50018506	57	ChEMBL_2275523	Inhibition of GABAA alpha3 receptor (unknown origin)
50018506	58	ChEMBL_2275524	Inhibition of GABAA alpha5 receptor (unknown origin)
50018506	59	ChEMBL_2275525	Binding affinity to GABAA alpha6 receptor (unknown origin) assessed as inhibition constant
50018506	60	ChEMBL_2275526	Displacement of [3H]-ketanserin from rat 5-HT2A expressed in mouse NIH/3T3 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50018506	61	ChEMBL_2275527	Displacement of [3H]-ketanserin from rat 5-HT2C expressed in mouse NIH/3T3 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50018506	62	ChEMBL_2275528	Displacement of [3H]-ketanserin from rat 5-HT2B expressed in mouse NIH/3T3 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50018506	63	ChEMBL_2275530	Displacement of [3H]-ketanserin from human 5-HT1A expressed in human HEK cells assessed as inhibition constant by FLIPR assay
50018506	64	ChEMBL_2275531	Displacement of [3H]-mesulergine from human 5-HT1B expressed in human HEK cells assessed as inhibition constant by FLIPR assay
50018506	65	ChEMBL_2275532	Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant
50018506	66	ChEMBL_2275533	Displacement of [3H]-LSD from human 5-HT2A expressed in human HEK cells assessed as inhibition constant by FLIPR assay
50018506	67	ChEMBL_2275534	Displacement of [3H]-LSD from human 5-HT2C expressed in human HEK cells assessed as inhibition constant by FLIPR assay
50018506	68	ChEMBL_2275535	Binding affinity to 5-HT3R (unknown origin) assessed as inhibition constant
50018506	69	ChEMBL_2275536	Binding affinity to 5-HT5AR (unknown origin) assessed as inhibition constant
50018506	70	ChEMBL_2275537	Binding affinity to 5-HT6R (unknown origin) assessed as inhibition constant
50018506	71	ChEMBL_2275538	Displacement of [3H]-citalopram from human 5-HT7 expressed in human HEK cells assessed as inhibition constant by FLIPR assay
50018506	72	ChEMBL_2275539	Binding affinity to 5-HT2C (unknown origin) assessed as inhibition constant
50018506	73	ChEMBL_2275540	Binding affinity to 5-HT2BR (unknown origin) assessed as inhibition constant
50018506	74	ChEMBL_2275541	Inhibition of human HDAC in human HeLa cell nuclear extract by fluorescence assay
50018506	75	ChEMBL_2275542	Inhibition of HDAC1 (unknown origin)
50018506	76	ChEMBL_2275543	Inhibition of HDAC2 (unknown origin)
50018506	77	ChEMBL_2275544	Inhibition of HDAC8 (unknown origin)
50018506	78	ChEMBL_2275545	Inhibition of HDAC4 (unknown origin)
50018506	79	ChEMBL_2275546	Inhibition of HDAC6 (unknown origin)
50018506	80	ChEMBL_2275549	Inhibition of BACE1 (unknown origin) expressed in HEK293 cells by FRET assay
50018506	81	ChEMBL_2275555	Inhibition of HDAC (unknown origin)
50018507	1	ChEMBL_2275556	Inhibition of human PDE10A (449 to 789 residues) expressed in Escherichia coli BL21(DE3) using cAMP as substrate incubated for 30 mins by HTRF analysis
50018507	2	ChEMBL_2275559	Inhibition of PDE10A (unknown origin)
50018507	3	ChEMBL_2275561	Inhibition of PDE5 (unknown origin)
50018507	4	ChEMBL_2275571	Inhibition of PDE10A (unknown origin) by scintillation proximity assay
50018507	5	ChEMBL_2275572	Binding affinity to PDE10A in rat brain caudate-putamen by saturation binding assay
50018507	6	ChEMBL_2275573	Binding affinity to PDE10A in rat brain nucleus accumbens by saturation binding assay
50018507	7	ChEMBL_2275579	Binding affinity to PDE10A in rat striatum homogenate
50018507	8	ChEMBL_2275582	Inhibition of PDE10A2 (unknown origin)
50018508	1	ChEMBL_2275585	Inhibition of human N-terminal Ecto-5'-nucleotidase
50018509	1	ChEMBL_2275717	Antagonist activity at androgen receptor (unknown origin)
50018509	2	ChEMBL_2275718	Antagonist activity at androgen receptor (unknown origin) assessed as inhibition constant
50018510	1	ChEMBL_2275778	Inhibition of DYRK1A (unknown origin) at 10 uM by ADP hunter plus assay
50018510	2	ChEMBL_2275779	Inhibition of DYRK1A (unknown origin) in presence of ATP at 15 uM
50018510	3	ChEMBL_2275780	Inhibition of DYRK1A (unknown origin)
50018510	4	ChEMBL_2275783	Inhibition of human DYRK1A at 3 uM in presence of ATP
50018510	5	ChEMBL_2275784	Inhibition of human DYRK1A by Eu kinase activity assay
50018510	6	ChEMBL_2275786	Inhibition of DYRK1A (unknown origin) at 1 uM by kinomescan method
50018510	7	ChEMBL_2275787	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant by ADP hunter plus assay
50018510	8	ChEMBL_2275788	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant
50018510	9	ChEMBL_2275789	Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant at 3 uM
50018510	10	ChEMBL_2275790	Inhibition of human GSK3beta
50018510	11	ChEMBL_2275791	Inhibition of human wild type DYRK1A (M1 to S629) expressed in bacterial system by Ambit Kinomescan binding assay
50018510	12	ChEMBL_2275792	Inhibition of GSK3beta (unknown origin)
50018512	1	ChEMBL_2275873	Inhibition of mushroom tyrosinase
50018512	2	ChEMBL_2275879	Inhibition of mushroom tyrosinase monophenolase activity
50018512	3	ChEMBL_2275880	Inhibition of mushroom tyrosinase diphenolase activity
50018512	4	ChEMBL_2275888	Inhibition of Escherichia coli DNA gyrase
50018512	5	ChEMBL_2275909	Inhibition of human MAO-B
50018513	1	ChEMBL_2275968	Inhibition of human Cathepsin C using Z-Arg-Arg-AM as substrate at 3 microM relative to control
50018513	2	ChEMBL_2275972	Inhibition of human Cathepsin C using Ala-4-[ 125 I]Phe-DMK as substrate preincubated for 30 mins followed by substrate addition measured after 6 to 24 hrs
50018513	3	ChEMBL_2275975	Inhibition of human Cathepsin C using Gly- L -Phe-p-nitroanilide.HCl as substrate
50018513	4	ChEMBL_2275976	Inhibition of Cathepsin C (unknown origin)
50018514	1	ChEMBL_2275977	Displacement of [125]IBNtxA from mouse MOR stably expressed in CHO cell membranes incubated for 90 mins
50018514	2	ChEMBL_2275978	Displacement of [125]IBNtxA from mouse KOR stably expressed in CHO cell membranes incubated for 90 mins
50018514	3	ChEMBL_2275979	Displacement of [125]IBNtxA from mouse DOR stably expressed in CHO cell membranes incubated for 90 mins
50018514	4	ChEMBL_2275980	Agonist activity at mouse MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 60 mins by scintillation spectroscopy analysis
50018514	5	ChEMBL_2275982	Partial agonist activity at mouse MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 60 mins by scintillation spectroscopy analysis
50018514	6	ChEMBL_2275984	Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO induced [35S]-GTPgammaS binding incubated for 60 mins by scintillation spectroscopy analysis
50018514	7	ChEMBL_2275985	Agonist activity at mouse KOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 60 mins by scintillation spectroscopy analysis
50018514	8	ChEMBL_2275987	Antagonist activity at mouse DOR expressed in CHO cell membranes assessed as inhibition of DPDPE induced [35S]-GTPgammaS binding incubated for 60 mins by scintillation spectroscopy analysis
50018517	1	ChEMBL_2276094	Agonist activity at human FXR
50018517	2	ChEMBL_2276099	Agonist activity at FXR2 in human HepG2 cells
50018517	3	ChEMBL_2276100	Inhibition of hERG
50018517	4	ChEMBL_2276102	Agonist activity at FXR in HEK293 cells
50018517	5	ChEMBL_2276110	Agonist activity at FXR in HEK293T cells by steady-glo luciferase assay
50018517	6	ChEMBL_2276112	Agonist activity at FXR (unknown origin)
50018517	7	ChEMBL_2276113	Agonist activity at human GST-tagged FXR incubated for 1 hrs by alphascreen assay
50018517	8	ChEMBL_2276115	Agonist activity at human FXR by lanthascreen TR-FRET assay
50018517	9	ChEMBL_2276117	Agonist activity at FXR in human HepG2 cells by luciferase reporter assay
50018517	10	ChEMBL_2276119	Agonist activity at FXR in HEK293T cells by lanthascreen TR-FRET assay
50018517	11	ChEMBL_2276121	Agonist activity at FXR (unknown origin) incubated for 180 mins by TR-FRET assay
50018517	12	ChEMBL_2276122	Agonist activity at FXR (unknown origin) incubated for 15 mins by dual-luciferase reporter assay
50018517	13	ChEMBL_2276127	Agonist activity at human FXR in expressed in CHO cells by luciferase reporter assay
50018517	14	ChEMBL_2276128	Agonist activity at FXR in HEK293T cells incubated for 24 hrs by Steady-Glo luciferase assay
50018517	15	ChEMBL_2276131	Agonist activity at FXR in human HeLa cells by Dual-Glo luciferase assay
50018517	16	ChEMBL_2276133	Agonist activity at GST-tagged FXR (unknown origin) by FRET assay
50018517	17	ChEMBL_2276134	Agonist activity at human FXR incubated for 24 hrs by luciferase reporter assay
50018517	18	ChEMBL_2276136	Inhibition of sEH (unknown origin)
50018517	19	ChEMBL_2276137	Agonist activity at FXR in human HeLa cells incubated for 24 hrs by Dual-Glo luciferase assay
50018517	20	ChEMBL_2276139	Agonist activity at human PPARdelta expressed in HEK293T cells incubated for 12 to 14 hrs by Dual-Glo luciferase assay
50018517	21	ChEMBL_2276140	Agonist activity at human FXR expressed in CHO cells incubated for 22 hrs by luciferase reporter assay
50018517	22	ChEMBL_2276142	Agonist activity at TGR5 (unknown origin) expressed in CHO cells incubated for 0.5 hr by microplate reader based analysis
50018518	1	ChEMBL_2276335	Inhibition of BRD4-BD1 (unknown origin) using C-terminal biotinylated tetra-acetylated histone H4 peptide as substrate incubated for 2.5 hrs by alphascreen assay
50018519	1	ChEMBL_2276353	Binding affinity to human PCSK9
50018519	2	ChEMBL_2276354	Inhibition of human PCSK9
50018519	3	ChEMBL_2276356	Inhibition of PCSK9 mediated LDLR degradation in human HepG2 cells assessed as restoration of LDLR
50018519	4	ChEMBL_2276357	Binding affinity to PCSK9 (unknown origin)
50018519	5	ChEMBL_2276358	Inhibition of PCSK9 (unknown origin)
50018519	6	ChEMBL_2276368	Inhibition of HMG CoA reductase (unknown origin)
50018519	7	ChEMBL_2276369	Inhibition of PCSK9 in human HepG2 cells assessed as restoration of LDLR
50018519	8	ChEMBL_2276370	Inhibition of PCSK9 in human HepG2 cells assessed as increase in LDL uptake
50018519	9	ChEMBL_2276371	Inhibition of human PCSK9 preincubated for 30 mins followed by ab20 addition and measured after 2 hrs by TR-FRET assay
50018519	10	ChEMBL_2276372	Inhibition of human PCSK9 preincubated for 30 mins followed by EGF(A) addition and measured after 2 hrs by TR-FRET assay
50018519	11	ChEMBL_2276373	Inhibition of human PCSK9 preincubated for 30 mins followed by LDLR addition and measured after 2 hrs by TR-FRET assay
50018519	12	ChEMBL_2276374	Binding affinity to mouse PCSK9
50018520	1	ChEMBL_2276483	Inhibition of human recombinant PDE4D
50018520	2	ChEMBL_2276486	Inhibition of hERG (unknown origin)
50018520	3	ChEMBL_2276487	Inhibition of amyloid beta40 (unknown origin) aggregation measured every 15 mins by fluorescence based analysis
50018520	4	ChEMBL_2276494	Inhibition of AKR1C3 (unknown origin)
50018520	5	ChEMBL_2276495	Inhibition of COX1 (unknown origin)
50018520	6	ChEMBL_2276496	Inhibition of COX2 (unknown origin)
50018520	7	ChEMBL_2276500	Inhibition of human DHODH
50018520	8	ChEMBL_2276501	Antagonist activity at histamine H2 receptor (unknown origin) assessed as inhibition constant
50018520	9	ChEMBL_2276508	Inhibition of amyloid beta 42 in human HEK293 cells
50018520	10	ChEMBL_2276509	Inhibition of amyloid beta 42 in human H4 cells
50018520	11	ChEMBL_2276513	Inhibition of caspase-1 (unknown origin)
50018520	12	ChEMBL_2276514	Inhibition of caspase-3 (unknown origin)
50018520	13	ChEMBL_2276515	Inhibition of caspase-7 (unknown origin)
50018520	14	ChEMBL_2276516	Inhibition of caspase-8 (unknown origin)
50018520	15	ChEMBL_2276520	Inhibition of human TNF-alpha secretion stimulated by LPS
50018520	16	ChEMBL_2276534	Inhibition of human recombinant PDE4A
50018520	17	ChEMBL_2276535	Inhibition of human recombinant PDE4B
50018520	18	ChEMBL_2276536	Inhibition of human recombinant PDE4C
50018520	19	ChEMBL_2276540	Inhibition of MSK-1 (unknown origin)
50018520	20	ChEMBL_2276542	Inhibition of RSK1 (unknown origin)
50018520	21	ChEMBL_2276543	Inhibition of ROCK1 (unknown origin)
50018520	22	ChEMBL_2276545	Inhibition of CDK2 (unknown origin)
50018520	23	ChEMBL_2276546	Inhibition of DYRK1A (unknown origin)
50018520	24	ChEMBL_2276551	Inhibition of N terminal histidine tagged human recombinant ROCK1 (3 to 543 residues) expressed in baculovirus infected Sf9 cells using biotin-Ahx-AKRRRLSSLRA-CONH2 as a substrate incubated for 10 mins by scintillation counting method
50018520	25	ChEMBL_2276553	Inhibition of N terminal histidine tagged human recombinant ROCK1 (3 to 543 residues) in HASMC cells incubated for 2 hrs by ELISA method
50018520	26	ChEMBL_2276576	Inhibition of beta catenin/Tcf4 (unknown origin) assessed as inhibition constant
50018520	27	ChEMBL_2276584	Inhibition of IDO (unknown origin)
50018520	28	ChEMBL_2276585	Inhibition of IDO1 (unknown origin)
50018520	29	ChEMBL_2276599	Inhibition of IDO2 (unknown origin)
50018520	30	ChEMBL_2276600	Inhibition of HDAC (unknown origin)
50018520	31	ChEMBL_2276613	Inhibition of Akt1 (unknown origin)
50018520	32	ChEMBL_2276614	Inhibition Akt2 (unknown origin)
50018520	33	ChEMBL_2276615	Inhibition Akt3 (unknown origin)
50018520	34	ChEMBL_2276616	Inhibition of p70S6 (unknown origin) at 1 uM
50018520	35	ChEMBL_2276617	Inhibition of Aurora B (unknown origin)
50018520	36	ChEMBL_2276618	Inhibition of EGF-R (unknown origin)
50018520	37	ChEMBL_2276619	Inhibition of IGF-1R (unknown origin)
50018520	38	ChEMBL_2276620	Inhibition of VEGF-R2 (unknown origin)
50018520	39	ChEMBL_2276621	Inhibition SRC (unknown origin)
50018520	40	ChEMBL_2276629	Inhibition of human GSTP1-1 expressed in Escherichia coli assessed as inhibition by fluorescence based analysis
50018520	41	ChEMBL_2276630	Inhibition of human GSTM2-2 expressed in Escherichia coli assessed as inhibition by fluorescence based analysis
50018520	42	ChEMBL_2276640	Inhibition of p21 (unknown origin)
50018520	43	ChEMBL_2276657	Inhibition of recombinant Plasmodium falciparum LDH
50018520	44	ChEMBL_2276680	Inhibition of GSK3beta (unknown origin)
50018520	45	ChEMBL_2276681	Inhibition of CDK-2 (unknown origin)
50018520	46	ChEMBL_2276683	Inhibition of Amyloid beta (unknown origin)
50018521	1	ChEMBL_2276686	Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomerase 2-alpha-Thr1342 as substrate incubated for 15 mins followed by ATP addition and further incubated for 120 mins by TR-FRET assay
50018521	2	ChEMBL_2276687	Inhibition of TTBK1 in human HEK293T cells incubated for 1 hrs by HTRF assay
50018521	3	ChEMBL_2276697	Inhibition of TTBK2 (unknown origin)
50018521	4	ChEMBL_2276698	Inhibition of NIK (unknown origin)
50018521	5	ChEMBL_2276702	Inhibition of human ERG
50018523	1	ChEMBL_2276722	Partial agonist activity at human D2 receptor assessed as inhibition constant
50018523	2	ChEMBL_2276723	Partial agonist activity at human D3 receptor assessed as inhibition constant
50018523	3	ChEMBL_2276724	Partial agonist activity at human D4 receptor assessed as inhibition constant
50018523	4	ChEMBL_2276725	Partial agonist activity at human D2 receptor assessed as increase in cAMP accumulation
50018523	5	ChEMBL_2276726	Partial agonist activity at human D2 receptor assessed as beta arrestin-2 recruitment
50018523	6	ChEMBL_2276732	Partial agonist activity at D2 receptor (unknown origin) assessed as beta arrestin-2 recruitment
50018523	7	ChEMBL_2276734	Partial agonist activity at human D2 receptor expressed in CHO-K1 cells assessed as forskolin-stimulated cAMP production incubated for 60 mins
50018524	1	ChEMBL_2276746	Inhibition of CDK2/cyclin E1 (unknown origin) assessed as reduction in substrate peptide phosphorylation using DYRKtide peptide as substrate preincubated for 12 mins followed by ATP addition and measured for 45 mins by mobility shift assay
50018524	2	ChEMBL_2276747	Inhibition of CDK4/cyclin D1 (unknown origin) assessed as reduction in substrate peptide phosphorylation using DYRKtide peptide as substrate preincubated for 12 mins followed by ATP addition and measured for 45 mins by mobility shift assay
50018524	3	ChEMBL_2276748	Inhibition of CDK6/cyclin D1 (unknown origin) assessed as reduction in substrate peptide phosphorylation using DYRKtide peptide as substrate preincubated for 12 mins followed by ATP addition and measured for 45 mins by mobility shift assay
50018524	4	ChEMBL_2276750	Inhibition of CDK9/Cyclin-T1 (unknown origin) assessed as reduction in substrate peptide phosphorylation using DYRKtide peptide as substrate preincubated for 12 mins followed by ATP addition and measured for 45 mins by mobility shift assay
50018524	5	ChEMBL_2276753	Inhibition of RB1 phosphorylation in human OVCAR-3 cells assessed as reduction in phosphorylation at Serine 807/811 residue incubated for 1 hr by ELISA
50018524	6	ChEMBL_2276757	Inhibition of XO44 binding to CDK2 in human KURAMOCHI cells preincubated with compound by Western blot analysis
50018524	7	ChEMBL_2276758	Inhibition of XO44 binding to CDK1 in human KURAMOCHI cells preincubated with compound by Western blot analysis
50018524	8	ChEMBL_2276759	Inhibition of XO44 binding to CDK2 in human HCC1806 cells preincubated with compound by Western blot analysis
50018524	9	ChEMBL_2276760	Inhibition of XO44 binding to CDK1 in human HCC1806 cells preincubated with compound by Western blot analysis
50018525	1	ChEMBL_2276985	Inhibition of human Quiescent sulfhydryl oxidase 1 by ROS Glo assay
50018525	2	ChEMBL_2277033	Inhibition of human carbonic anhydrase 7 assessed as inhibition constant by a stopped flow CO2 hydrase assay
50018525	3	ChEMBL_2277034	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant
50018525	4	ChEMBL_2277035	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant
50018525	5	ChEMBL_2277036	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant
50018525	6	ChEMBL_2277037	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant
50018526	1	ChEMBL_2277085	Antibacterial activity against Enterococcus faecalis assessed as bacterial growth inhibition incubated for 24 hrs
50018528	1	ChEMBL_2277110	Inhibition of full length N-terminal his6-tagged human CH24H (28 to 494 residues) expressed in Escherichia coli DH5alpha using [14C] cholesterol as substrate preincubated for 15 mins followed by substrate addition and measured after 5 min in presence of beta-NADPH
50018528	2	ChEMBL_2277113	Inhibition of CYP2C8 (unknown origin) using amodiaquine as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018528	3	ChEMBL_2277114	Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018528	4	ChEMBL_2277115	Inhibition of CYP2D6 (unknown origin) using (S)-mephenytoin as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018528	5	ChEMBL_2277116	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018528	6	ChEMBL_2277117	Inhibition of CYP1A2 (unknown origin) using phenacetin as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018528	7	ChEMBL_2277118	Inhibition of CYP2C19 (unknown origin) using bufuralol as substrate incubated for 10 to 20 mins in presence of NADPH-generating system by LC-MS/MS analysis
50018529	1	ChEMBL_2277130	Inhibition of HIV-1 integrase strand transfer activity
50018529	2	ChEMBL_2277133	Inhibition of HIV-1 integrase Q148K mutant
50018529	3	ChEMBL_2277135	Inhibition of HIV-1 integrase G140S/Q148K double mutant
50018530	1	ChEMBL_2277154	Activation of recombinant rat Neurolysin using QFS as substrate incubated for 10 mins
50018531	1	ChEMBL_2277169	Modulation of rat ASIC1 by two electrode voltage-clamp assay
50018532	1	ChEMBL_2277183	Inhibition of human CLK3
50018532	2	ChEMBL_2277185	Inhibition of human CLK1
50018532	3	ChEMBL_2277192	Inhibition of human CLK2
50018532	4	ChEMBL_2277193	Inhibition of human DYRK1A
50018532	5	ChEMBL_2277195	Inhibition of human CLK2 by NanoBRET assay
50018532	6	ChEMBL_2277197	Inhibition of human TTK
50018532	7	ChEMBL_2277201	Inhibition of human CLK2 administered orally
50018532	8	ChEMBL_2277202	Inhibition of human CLK1 administered orally
50018532	9	ChEMBL_2277203	Inhibition of human CLK3 administered orally
50018532	10	ChEMBL_2277204	Inhibition of human CLK4 administered orally
50018532	11	ChEMBL_2277209	Inhibition of human CLK4
50018532	12	ChEMBL_2277214	Inhibition of CLK1 (unknown origin)
50018532	13	ChEMBL_2277215	Inhibition of CLK2 (unknown origin)
50018532	14	ChEMBL_2277216	Inhibition of CLK3 (unknown origin)
50018532	15	ChEMBL_2277217	Inhibition of CLK4 (unknown origin)
50018532	16	ChEMBL_2277222	Inhibiton of human DYRK1A
50018533	1	ChEMBL_2277225	Inhibition of KDM6B (unknown origin ) incubated for 20 mins by Alphascreen assay
50018533	2	ChEMBL_2277226	Inhibition of N-terminal his6-tagged human KDM5B (1 to 769 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assay
50018533	3	ChEMBL_2277227	Inhibition of KDM4E (unknown origin ) incubated for 20 mins by Alphascreen assay
50018533	4	ChEMBL_2277228	Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assay
50018533	5	ChEMBL_2277231	Competitive inhibition of KDM5A (unknown origin) in human MM1.S cells by TR-FRET assay
50018533	6	ChEMBL_2277232	Competitive inhibition of KDM5B (unknown origin) in human MM1.S cells by TR-FRET assay
50018533	7	ChEMBL_2277233	Competitive inhibition of KDM5A (unknown origin) in human HeLa cells by TR-FRET assay
50018533	8	ChEMBL_2277235	Inhibition of KDM4C (unknown origin) incubated for 20 mins by Alphascreen assay
50018533	9	ChEMBL_2277236	Inhibition of N-terminal his6-tagged human KDM5C (1 to 839 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assay
50018533	10	ChEMBL_2277237	Inhibition of KDM5A (unknown origin ) by Alphascreen assay
50018533	11	ChEMBL_2277238	Inhibition of KDM5B (unknown origin ) by Alphascreen assay
50018533	12	ChEMBL_2277239	Inhibition of KDM5C (unknown origin ) by Alphascreen assay
50018533	13	ChEMBL_2277244	Inhibition of KDM5A (unknown origin ) by HTMS analysis
50018533	14	ChEMBL_2277245	Inhibition of KDM5B (unknown origin ) by HTMS analysis
50018533	15	ChEMBL_2277246	Inhibition of KDM5C (unknown origin ) by HTMS assay
50018533	16	ChEMBL_2277247	Inhibition of KDM5D (unknown origin ) by HTMS assay
50018533	17	ChEMBL_2277248	Inhibition of KDM5A (unknown origin ) by Alphalisa analysis
50018533	18	ChEMBL_2277254	Inhibition of KDM5B (unknown origin ) by TR-FRET assay
50018533	19	ChEMBL_2277255	Inhibition of KDM5C (unknown origin ) by TR-FRET assay
50018533	20	ChEMBL_2277256	Inhibition of KDM5A (unknown origin ) demethylase activity
50018533	21	ChEMBL_2277257	Inhibition of KDM5A (unknown origin ) by Cellular luciferase reporter assay
50018533	22	ChEMBL_2277258	Inhibition of KDM5C (unknown origin ) by Cellular luciferase reporter assay
50018533	23	ChEMBL_2277262	Inhibition of KDM5A (unknown origin ) demethylase activity using H3 as substrate by Chemiluminescent assay
50018533	24	ChEMBL_2277263	Inhibition of KDM5C (unknown origin ) demethylase activity using H3 as substrate by Chemiluminescent assay
50018533	25	ChEMBL_2277267	Inhibition of KDM5B (unknown origin ) by Alphalisa analysis
50018533	26	ChEMBL_2277268	Inhibition of KDM4A (unknown origin ) by Alphalisa analysis
50018533	27	ChEMBL_2277269	Inhibition of KDM5C (unknown origin ) by Alphalisa analysis
50018533	28	ChEMBL_2277272	Inhibition of Halo-tagged KDM5A PHD3 domain (unknown origin)
50018533	29	ChEMBL_2277273	Inhibition of Halo-tagged KDM4A tudor domain (unknown origin)
50018533	30	ChEMBL_2277274	Inhibition of ING2 phd domain (unknown origin )
50018533	31	ChEMBL_2277275	Inhibition of KDM5A (unknown origin ) by TR-FRET assay
50018533	32	ChEMBL_2277276	Inhibition of KDM4E (unknown origin ) by TR-FRET assay
50018533	33	ChEMBL_2277277	Inhibition of KDM6B (unknown origin ) by TR-FRET assay
50018533	34	ChEMBL_2277278	Inhibition of KDM6A (unknown origin ) by TR-FRET assay
50018534	1	ChEMBL_2277279	Inhibition of human recombinant PDE10A expressed in Sf9 cells incubated for 60 mins by scintillation counter analysis
50018534	2	ChEMBL_2277280	Inhibition of BCR-ABL (unknown origin)
50018534	3	ChEMBL_2277282	Inhibition of BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as cell growth inhibition incubated for 20 mins by TR-FRET assay
50018534	4	ChEMBL_2277283	Inhibition of Bcr-Abl T315I mutant (unknown origin) expressed in mouse BaF3 cells assessed as cell growth inhibition incubated for 20 mins by TR-FRET assay
50018534	5	ChEMBL_2277284	Inhibition of PDGFRbeta (unknown origin) incubated for 5 mins by Alphascreen assay
50018534	6	ChEMBL_2277285	Inhibition of human VEGFR2 by TR-FRET assay
50018534	7	ChEMBL_2277286	Inhibition of PDGFRbeta (unknown origin) by TR-FRET assay
50018534	8	ChEMBL_2277287	Inhibition of c-Met (unknown origin)
50018534	9	ChEMBL_2277288	Inhibition of TRKA (unknown origin)
50018534	10	ChEMBL_2277289	Inhibition of TRKB (unknown origin)
50018534	11	ChEMBL_2277290	Inhibition of TRKC (unknown origin)
50018534	12	ChEMBL_2277291	Inhibition of PI3Kalpha (unknown origin)
50018534	13	ChEMBL_2277292	Inhibition of PI3Kbeta (unknown origin)
50018534	14	ChEMBL_2277293	Inhibition of PI3Kdelta (unknown origin)
50018534	15	ChEMBL_2277294	Inhibition of PI3Kgamma (unknown origin)
50018534	16	ChEMBL_2277296	Inhibition of Akt phosphorylation in human HCT-116 cells
50018534	17	ChEMBL_2277299	Inhibition of PIM1 (unknown origin)
50018534	18	ChEMBL_2277300	Inhibition of PIM2 (unknown origin)
50018534	19	ChEMBL_2277301	Inhibition of PAR2 expressed in human HT-29 cells incubated for 30 mins by FLIPR Tetra system method
50018534	20	ChEMBL_2277303	Binding affinity to A beta-amyloid plaque (unknown origin)
50018534	21	ChEMBL_2277304	Inhibition of GSK3alpha (unknown origin)
50018534	22	ChEMBL_2277305	Inhibition of GSK3beta (unknown origin)
50018534	23	ChEMBL_2277306	Inhibition of Tau (unknown origin) phosphorylation
50018534	24	ChEMBL_2277313	Inhibition of PDE10A2 (unknown origin)
50018534	25	ChEMBL_2277315	Inhibition of human recombinant PDE4A incubated for 30 mins by Scintillation Proximity Assay
50018534	26	ChEMBL_2277316	Inhibition of human recombinant PDE4B incubated for 30 mins by Scintillation Proximity Assay
50018534	27	ChEMBL_2277317	Inhibition of human recombinant PDE4C incubated for 30 mins by Scintillation Proximity Assay
50018534	28	ChEMBL_2277318	Inhibition of human recombinant PDE4D incubated for 30 mins by Scintillation Proximity Assay
50018534	29	ChEMBL_2277319	Binding affinity to human recombinant CRF1 in HEK cell line assessed as inhibition constant incubated for 2 hrs by MicroBeta scintillation counter method
50018534	30	ChEMBL_2277320	Binding affinity to human recombinant CRF2 in HEK cell line assessed as inhibition constant incubated for 4 to 5 hrs by Scintillation Proximity Assay
50018534	31	ChEMBL_2277321	Inhibition of human recombinant CRF1 in HEK cell line incubated for 2 hrs by MicroBeta scintillation counter method
50018534	32	ChEMBL_2277322	Inhibition of Plasmodium falciparum CDPK1
50018534	33	ChEMBL_2277328	Inhibition of GST-fused human JAK1 incubated for 3 hrs by caliper analysis
50018534	34	ChEMBL_2277331	Inhibition of TNFalpha in LPS-stimulated human mononuclear cell line by radioimmunoassay
50018534	35	ChEMBL_2277332	Binding affinity to human recombinant JAK1 assessed as inhibition constant incubated for 30 mins by microtiter plate reader analysis
50018534	36	ChEMBL_2277333	Binding affinity to human recombinant JAK2 assessed as inhibition constant incubated for 30 mins by microtiter plate reader analysis
50018534	37	ChEMBL_2277334	Inhibition of human recombinant JAK3 incubated for 3 hrs by caliper analysis
50018534	38	ChEMBL_2277335	Inhibition of SIRT1 (unknown origin)
50018534	39	ChEMBL_2277339	Inhibition of human CK1 epsilon incubated for 2 hrs by scintillation counter analysis
50018535	1	ChEMBL_2277357	Inhibition of PRMT3 (unknown origin) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	2	ChEMBL_2277358	Inhibition of PRMT1 (unknown origin) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	3	ChEMBL_2277359	Inhibition of FLAG-tagged CARM1 (unknown origin) (2 to 585 residues) using biotin-aminohexanoate-PRKQLATKAARMeKSAP-amide peptide as substrate preincubated for 30 mins followed by substrate addition in presence of SAM by topcount reader analysis
50018535	4	ChEMBL_2277360	Inhibition of human CARM1 (140 to 480 residues) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	5	ChEMBL_2277373	Inhibition of PRMT6 (unknown origin) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	6	ChEMBL_2277374	Inhibition of PRMT8 (unknown origin) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	7	ChEMBL_2277375	Inhibition of PRMT5 (unknown origin) incubated for 15 mins measured after 60 min by AlphaLISA assay
50018535	8	ChEMBL_2277376	Inhibition of PRMT7 (unknown origin) by radioisotope based assay
50018536	1	ChEMBL_2277490	Binding affinity to PRC2 complex of EZH2-EED-SUZ12 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry method
50018536	2	ChEMBL_2277491	Inhibition of PRC2 complex of EZH2-EED-SUZ12 (unknown origin) using human nucleosome as substrate incubated for 70 mins in presence of [3H]SAM
50018536	3	ChEMBL_2277493	Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR assay
50018536	4	ChEMBL_2277494	Displacement of H3K27me3 from EED (unknown origin) by competitive binding assay
50018536	5	ChEMBL_2277500	Binding affinity to his tagged EED (1 to 441 residues) (unknown origin) incubated for 20 mins in presence of biotinylated H3K27me3 peptide (19 to 33 residues) by alphascreen competitive binding assay
50018536	6	ChEMBL_2277504	Binding affinity to C-terminal histidine tagged EED (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 15 mins by fluorescence polarization analysis
50018536	7	ChEMBL_2277507	Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis
50018537	1	ChEMBL_2277529	Binding affinity to N-terminal His-tagged recombinant ZIKV ZG-01 RdRp (272 to 903 residues) expressed in Escherichia coli rosetta by surface plasmon resonance assay
50018538	1	ChEMBL_2277544	Binding affinity to his-tagged wild type c-MET (1050 to 1346 residues) (unknown origin) by surface plasmon resonance analysis
50018538	2	ChEMBL_2277545	Binding affinity to his-tagged c-MET D1228V mutant (1050 to 1346 residues) (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50018538	3	ChEMBL_2277547	Inhibition of his-tagged wild type c-MET (1050 to 1346 residues) (unknown origin) by ADP-glo assay
50018538	4	ChEMBL_2277548	Inhibition of his-tagged c-MET D1228V mutant (1050 to 1346 residues) (unknown origin) by ADP-glo assay
50018538	5	ChEMBL_2277549	Inhibition of his-tagged wild type c-MET (1050 to 1346 residues) (unknown origin) in human NCI-H1993 cells by HTRF analysis
50018538	6	ChEMBL_2277550	Inhibition of his-tagged c-MET D1228V mutant (1050 to 1346 residues) (unknown origin) in human NCI-H1993 cells by HTRF analysis
50018539	1	ChEMBL_2277556	Inhibition of ENPP1 (unknown origin)
50018541	1	ChEMBL_2277592	Inhibition of bovine brain tubulin polymerization preincubated for 30 mins followed by GTP addition and measured after 20 mins by spectrophotometric analysis
50018541	2	ChEMBL_2277593	Inhibition of porcine brain tubulin polymerization preincubated for 1 mins followed by GTP addition and measured for 60 mins at 1 min interval by fluorescence assay
50018541	3	ChEMBL_2277611	Inhibition of Agaricus bisporus tyrosinase using L-DOPA as substrate incubated for 10 mins by spectrophotometric analysis
50018541	4	ChEMBL_2277614	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 mins by spectrophotometric analysis
50018541	5	ChEMBL_2277615	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30 mins by spectrophotometric analysis
50018541	6	ChEMBL_2277616	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and measured after 1 mins by spectrophotometric analysis
50018541	7	ChEMBL_2277617	Inhibition of full length human PIM1 expressed in Escherichia coli BL21 (DE3) preincubated for 0.5 hrs followed by substrate addition and measured after 0.5 hrs using ARKRRRHPSGPPTA and ATP as substrate by Glo-kinase assay
50018541	8	ChEMBL_2277618	Inhibition of PIM1 (unknown origin) using poly-Glu-Tyr (4:1) as substrate in presence of [gamma-33P-ATP] incubated for 2 hrs by radiometric kinase assay
50018541	9	ChEMBL_2277619	Antagonist activity at Gal4-RARalpha transfected in HEK293 cells assessed as atRA-induced RARalpha transactivation and measured after 6 hrs by Dual-Light chemiluminiscence assay
50018541	10	ChEMBL_2277620	Inhibition of AKT (unknown origin)
50018541	11	ChEMBL_2277621	Inhibition of AKT (unknown origin) by by FRET based Z'-LYTE assay
50018541	12	ChEMBL_2277622	Inhibition of recombinant human CK2 using RRRDDDSDDD as substrate in presence of [gamma-33P-ATP] incubated for 20 mins by beta-counter analysis
50018541	13	ChEMBL_2277623	Inhibition of human HDAC4 in HeLa cells extract incubated for 5 mins followed by substrate addition and measured after 15 mins using Fluor-de-Lys as substrate by spectrofluorometric analysis
50018541	14	ChEMBL_2277624	Inhibition of human HDAC2 in HeLa cells extract incubated for 5 mins followed by substrate addition and measured after 15 mins using Fluor-de-Lys as substrate by spectrofluorometric analysis
50018541	15	ChEMBL_2277625	Inhibition of human HDAC7 in HeLa cells extract incubated for 5 mins followed by substrate addition and measured after 15 mins using Fluor-de-Lys as substrate by spectrofluorometric analysis
50018541	16	ChEMBL_2277626	Inhibition of human HDAC8 in HeLa cells extract incubated for 5 mins followed by substrate addition and measured after 15 mins using Fluor-de-Lys as substrate by spectrofluorometric analysis
50018541	17	ChEMBL_2277633	Inhibition of recombinant human MAO-A using p-tyramine as substrate by Amplex-Red MAO assay
50018541	18	ChEMBL_2277634	Inhibition of recombinant human MAO-B using p-tyramine as substrate by Amplex-Red MAO assay
50018541	19	ChEMBL_2277635	Inhibition of recombinant human MAO-A assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence assay
50018541	20	ChEMBL_2277636	Inhibition of recombinant human MAO-B assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence assay
50018541	21	ChEMBL_2277637	Inhibition of recombinant human MAO-A
50018541	22	ChEMBL_2277638	Inhibition of recombinant human MAO-B
50018541	23	ChEMBL_2277640	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 2 mins by DTNB reagent based Ellman's method
50018541	24	ChEMBL_2277642	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric Ellman's method
50018541	25	ChEMBL_2277645	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation by ThT-based fluorometric assay
50018541	26	ChEMBL_2277646	Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) disaggregation by ThT-based fluorometric assay
50018541	27	ChEMBL_2277647	Inhibition of human AchE by Ellman's method
50018541	28	ChEMBL_2277649	Inhibition of recombinant GSK-3beta (unknown origin) using GS peptide as substrate in presence of ATP incubated for 1 hrs by ADP-Glo kinase assay
50018541	29	ChEMBL_2277650	Binding affinity to human brain homogenate amyloid beta by radioligand competition binding assay
50018541	30	ChEMBL_2277651	Binding affinity to human brain alpha-synuclein fibril
50018541	31	ChEMBL_2277652	Binding affinity to human brain amyloid-beta fibril
50018541	32	ChEMBL_2277703	Binding affinity to PPARgamma (unknown origin) by competitive binding assay
50018542	1	ChEMBL_2277740	Modulation of human SMN2 level in NSC34 cells by ELISA
50018542	2	ChEMBL_2277742	Inhibition of hERG
50018542	3	ChEMBL_2277743	Binding affinity to VHL E3 ligase (unknown origin) by fluorescence polarization (FP) assay
50018542	4	ChEMBL_2277744	Binding affinity to VHL E3 ligase (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50018543	1	ChEMBL_2277745	Antagonist activity at human muscarinic M5 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018543	2	ChEMBL_2277750	Antagonist activity at rat muscarinic M5 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018543	3	ChEMBL_2277752	Antagonist activity at human muscarinic M1 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018543	4	ChEMBL_2277754	Antagonist activity at human muscarinic M4 receptor expressed in CHO cells in the presence of acetylcholine by calcium mobilisation assay
50018543	5	ChEMBL_2277760	Antagonist activity at human muscarinic M5 receptor
50018543	6	ChEMBL_2277762	Antagonist activity at rat muscarinic M5 receptor
50018544	1	ChEMBL_2277765	Inhibition of recombinant human ADAMTS-4
50018544	2	ChEMBL_2277766	Inhibition of recombinant human ADAMTS-5
50018544	3	ChEMBL_2277767	Inhibition of MMP1 (unknown origin)
50018544	4	ChEMBL_2277768	Inhibition of MMP2 (unknown origin)
50018544	5	ChEMBL_2277769	Inhibition of MMP8 (unknown origin)
50018544	6	ChEMBL_2277770	Inhibition of MMP9 (unknown origin)
50018544	7	ChEMBL_2277772	Inhibition of ADAMTS-4 (unknown origin) by FRET assay
50018544	8	ChEMBL_2277773	Inhibition of ADAMTS-5 (unknown origin) by FRET assay
50018544	9	ChEMBL_2277774	Inhibition of MMP12 (unknown origin) by FRET assay
50018544	10	ChEMBL_2277775	Inhibition of MMP13 (unknown origin) by FRET assay
50018544	11	ChEMBL_2277776	Inhibition of MMP14 (unknown origin) by FRET assay
50018544	12	ChEMBL_2277777	Inhibition of human ADAMTS-5
50018544	13	ChEMBL_2277778	Inhibition of human ADAMTS-4
50018544	14	ChEMBL_2277779	Inhibition of ADAMTS-4 (unknown origin)
50018544	15	ChEMBL_2277780	Inhibition of ADAMTS-5 (unknown origin)
50018544	16	ChEMBL_2277783	Inhibition of MMP12 (unknown origin)
50018544	17	ChEMBL_2277784	Inhibition of recombinant human MMP2
50018544	18	ChEMBL_2277785	Inhibition of recombinant human MMP7
50018544	19	ChEMBL_2277786	Inhibition of recombinant human MMP13
50018544	20	ChEMBL_2277787	Inhibition of full length recombinant human ADAMTS-4
50018545	1	ChEMBL_2277830	Induction of degradation of EZH2 in human EOL1 cells
50018545	2	ChEMBL_2277832	Induction of degradation of EZH2 in human MV4-11 cells
50018545	3	ChEMBL_2277834	Inhibition of EZH2 (unknown origin)
50018545	4	ChEMBL_2277835	Induction of degradation of EZH2 degradation in human MDA-MB-453 cells
50018545	5	ChEMBL_2277841	Inhibition of NAMPT (unknown origin)
50018545	6	ChEMBL_2277843	Induction of degradation NAMPT (unknown origin)
50018545	7	ChEMBL_2277845	Induction of degradation of AURORA-A in human MV4-11 cells
50018545	8	ChEMBL_2277847	Induction of degradation of Fak in human PC-3 cells
50018545	9	ChEMBL_2277849	Inhibition of FAK (unknown origin)
50018545	10	ChEMBL_2277852	Induction of degradation of FKBP12 (unknown origin)
50018545	11	ChEMBL_2277853	Induction of degradation of USP7 (unknown origin)
50018546	1	ChEMBL_2277873	Inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 10 mins by microplate reader analysis
50018546	2	ChEMBL_2277876	Non-competitive inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured for 15 mins by Dixon plot analysis
50018547	1	ChEMBL_2277880	Inhibition of N-terminal GST-tagged human wild type ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus-infected Sf21 cells using LANCE Ultra ULight-PolyGT substrate incubated for 2 hrs by TR-FRET assay
50018547	2	ChEMBL_2277881	Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) C1156Y mutant expressed in baculovirus-infected Sf21 cells using LANCE Ultra ULight-PolyGT substrate incubated for 2 hrs by TR-FRET assay
50018547	3	ChEMBL_2277882	Inhibition of N-terminal GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) L1196M mutant expressed in baculovirus-infected Sf21 cells using LANCE Ultra ULight-PolyGT substrate incubated for 2 hrs by TR-FRET assay
50018548	1	ChEMBL_2277941	Inhibition of EGFR (unknown origin)
50018549	1	ChEMBL_2277957	Inhibition of human ERG
50018549	2	ChEMBL_2277958	Antagonist activity at M3 receptor (unknown origin)
50018552	1	ChEMBL_2277979	Inhibition of human plasmin using Ac-RM(O2)YR-pNA as substrate
50018552	2	ChEMBL_2277983	Inhibition of human thrombin using Boc-VPR-MCA as substrate
50018552	3	ChEMBL_2277984	Inhibition of human plasma kallikrein using Z-FR-MCA as substrate
50018552	4	ChEMBL_2277985	Inhibition of recombinant human matriptase using Boc-QAR-MCA as substrate
50018555	1	ChEMBL_2278017	Inhibition of CYP1A2 in human liver microsome suspension using phenacetin substrate incubated for 30 mins by LC/MS analysis
50018555	2	ChEMBL_2278018	Inhibition of CYP2C8 in human liver microsome suspension using amodiaquine substrate incubated for 30 mins by LC/MS analysis
50018555	3	ChEMBL_2278019	Inhibition of CYP2D6 in human liver microsome suspension using dextromethorphan substrate incubated for 30 mins by LC/MS analysis
50018555	4	ChEMBL_2278020	Inhibition of CYP3A4 in human liver microsome suspension using midazolam substrate incubated for 30 mins by LC/MS analysis
50018555	5	ChEMBL_2278021	Inhibition of CYP2C9 in human liver microsome suspension using diclofenac substrate incubated for 30 mins by LC/MS analysis
50018555	6	ChEMBL_2278022	Inhibition of CYP2C19 in human liver microsome suspension using omeprazole substrate incubated for 30 mins by LC/MS analysis
50018555	7	ChEMBL_2278023	Inhibition of human ERG channel expressed in HEK293 cells clamped at -80 mV stimulated +20 mV for 2 sec followed by repolarized to -50 mV for 5 secs by electrophysiological analysis
50018557	1	ChEMBL_2278032	Inhibition of CDK7 (unknown origin) assessed as phosphorylation of ULight 4EBP1 peptide substrate measured after 2 hrs by FRET-based LANCE Ultra KinSelect assay
50018557	2	ChEMBL_2278034	Inhibition of CDK2 (unknown origin) assessed as phosphorylation of ULight 4EBP1 peptide substrate measured after 2 hrs by FRET-based LANCE Ultra KinSelect assay
50018557	3	ChEMBL_2278038	Inhibition of CDK1 (unknown origin)
50018557	4	ChEMBL_2278039	Inhibition of CDK3 (unknown origin)
50018557	5	ChEMBL_2278040	Inhibition of CDK5 (unknown origin)
50018557	6	ChEMBL_2278041	Inhibition of CDK6 (unknown origin)
50018557	7	ChEMBL_2278042	Inhibition of CDK7 (unknown origin)
50018557	8	ChEMBL_2278043	Inhibition of CDK9 (unknown origin)
50018557	9	ChEMBL_2278044	Inhibition of CDK12 (unknown origin)
50018558	1	ChEMBL_2278123	Inhibition of Bcr-Abl T315I mutant (unknown origin)
50018558	2	ChEMBL_2278124	Inhibition of wild type KIT (unknown origin)
50018558	3	ChEMBL_2278125	Inhibition of KIT T670I mutant (unknown origin)
50018558	4	ChEMBL_2278126	Inhibition of KIT D816V mutant (unknown origin)
50018558	5	ChEMBL_2278127	Inhibition of PDGFRalpha D842V mutant (unknown origin)
50018558	6	ChEMBL_2278128	Inhibition of PDGFRalpha (unknown origin)
50018558	7	ChEMBL_2278129	Inhibition of wild type FGFR1 (unknown origin)
50018558	8	ChEMBL_2278130	Inhibition of wild type FGFR2 (unknown origin)
50018558	9	ChEMBL_2278131	Inhibition of wild type FGFR3 (unknown origin)
50018558	10	ChEMBL_2278132	Inhibition of wild type FGFR4 (unknown origin)
50018558	11	ChEMBL_2278133	Inhibition of FGFR1 V561M mutant (unknown origin)
50018558	12	ChEMBL_2278134	Inhibition of FGFR2 V564M mutant (unknown origin)
50018558	13	ChEMBL_2278135	Inhibition of FGFR3 V555M mutant (unknown origin)
50018558	14	ChEMBL_2278137	Inhibition of FGFR4 V550L mutant (unknown origin)
50018558	15	ChEMBL_2278138	Inhibition of FGFR4 in mouse BaF3 cells
50018558	16	ChEMBL_2278141	Inhibition of RET (unknown origin)
50018558	17	ChEMBL_2278142	Inhibition of RET V804M mutant (unknown origin)
50018558	18	ChEMBL_2278143	Inhibition of human wild type RET
50018558	19	ChEMBL_2278144	Inhibition of human RET V804L mutant
50018558	20	ChEMBL_2278145	Inhibition of human RET V804M mutant
50018558	21	ChEMBL_2278146	Inhibition of ALK L1196M mutant (unknown origin)
50018558	22	ChEMBL_2278147	Inhibition of ALK G1202R mutant (unknown origin)
50018558	23	ChEMBL_2278148	Inhibition of CSF1R (unknown origin)
50018558	24	ChEMBL_2278149	Inhibition of FLT3 (unknown origin)
50018559	1	ChEMBL_2278270	Binding affinity to alpha7 nAChR (unknown origin) assessed as dissociation constant
50018559	2	ChEMBL_2278271	Binding affinity to alpha4beta2 nAChR (unknown origin) assessed as dissociation constant
50018559	3	ChEMBL_2278272	Binding affinity to alpha3beta4 nAChR (unknown origin) assessed as dissociation constant
50018560	1	ChEMBL_2278288	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 6 hrs by MSD assay
50018560	2	ChEMBL_2278329	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS method
50018560	3	ChEMBL_2278330	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS method
50018560	4	ChEMBL_2278331	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 to 30 mins in presence of NADPH by LC-MS/MS method
50018560	5	ChEMBL_2278334	Inhibition of human ERG by manual patch clamp method
50018560	6	ChEMBL_2278335	Inhibition of Cav1.2 (unknown origin)
50018560	7	ChEMBL_2278336	Inhibition of Nav1.5 (unknown origin)
50018562	1	ChEMBL_2278364	Binding affinity to glucocorticoid receptor (unknown origin) by Lanthascreen TR-FRET competition binding assay
50018562	2	ChEMBL_2278365	Modulation of glucocorticoid receptor (unknown origin) transfected in human HeLa cells assessed as transrepression by measuring inhibition of TNF-alpha induced NF-kappaB signalling incubated for 18 hrs by dual-luciferase reporter based assay
50018562	3	ChEMBL_2278366	Modulation of glucocorticoid receptor (unknown origin) transfected in human HeLa cells assessed as transrepression by measuring inhibition of PMA-induced AP-1 signalling incubated for 18 hrs by dual-luciferase reporter based assay
50018562	4	ChEMBL_2278367	Agonist activity at glucocorticoid receptor (unknown origin) transfected in human HeLa cells assessed as transactivation of receptor incubated for 18 hrs by firefly luciferase assay
50018562	5	ChEMBL_2278368	Antagonist activity at glucocorticoid receptor (unknown origin) transfected in human HeLa cells assessed as inhibition of dexamethasone-induced transactivation of receptor incubated for 18 hrs by firefly luciferase assay
50018563	1	ChEMBL_2278447	Binding affinity to HIV-1 reverse transcriptase assessed as dissociation constant by SPR analysis
50018563	2	ChEMBL_2278448	Inhibition of wild type recombinant HIV-1 reverse transcriptase using biotin-labelled dNTPs as substrate assessed as inhibition of biotin-labelled UTP incorporation incubated for 1 hr by ELISA
50018564	1	ChEMBL_2278498	Displacement of Fluormone Pan-PPAR Green from human recombinant GST-tagged PPARgamma LBD (201 to 475 residues) expressed in insect cells incubated for 2 hrs in dark by LantahScreen TR-FRET assay
50018565	1	ChEMBL_2278501	Inhibition of CYP4Z1 in human HEK293T cells using Luciferin-BE as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018565	2	ChEMBL_2278502	Inhibition of human recombinant CYP2D6 using Luciferin-ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018565	3	ChEMBL_2278503	Inhibition of human recombinant CYP2C9 using Luciferin CEE as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018565	4	ChEMBL_2278504	Inhibition of human recombinant CYP3A4 using Luciferin-IPA as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018565	5	ChEMBL_2278505	Inhibition of human recombinant CYP4F12 using Luciferin ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018565	6	ChEMBL_2278506	Inhibition of human recombinant CYP4F11 using Luciferin ME EGE as substrate incubated for 30 mins in presence of NADPH by luminescence based assay
50018566	1	ChEMBL_2278548	Inhibition of human recombinant full length PAK2 assessed as phosphorylation FRET peptide substrate measured after 60 mins
50018566	2	ChEMBL_2278549	Inhibition of human recombinant PAK1 assessed as phosphorylation FRET peptide substrate measured after 60 mins
50018567	1	ChEMBL_2278659	Inhibition of EGR-induced EGFR phosphorylation in human A549 cells pretreated for 2 hrs followed by EGF stimulation by immune assay
50018567	2	ChEMBL_2278677	Inhibition of EGR-induced wild type EGFR phosphorylation in human A-431 cells pretreated for 2 hrs followed by EGF stimulation by immune assay
50018568	1	ChEMBL_2278700	Inhibition of human cathepsin L
50018568	2	ChEMBL_2278701	Inhibition of human cathepsin S
50018568	3	ChEMBL_2278702	Inhibition of human cathepsin B
50018568	4	ChEMBL_2278703	Inhibition of human cathepsin K
50018569	1	ChEMBL_2278964	Inhibition of C-terminal FLAG-His8-tagged full length human CTPS1 preincubated for 10 mins followed by substrate addition by ADP-Glo assay
50018569	2	ChEMBL_2278981	Inhibition of human CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assay
50018569	3	ChEMBL_2278982	Inhibition of human CTPS1 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assay
50018569	4	ChEMBL_2278984	Inhibition of rat CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assay
50018569	5	ChEMBL_2278987	Inhibition of mouse CTPS2 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assay
50018569	6	ChEMBL_2278988	Inhibition of mouse CTPS1 preincubated for 10 mins followed by substrate addition and measured after 30 to 60 mins by RFMS assay
50018570	1	ChEMBL_2279076	Inhibition of recombinant human IDE using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate measured after 45 mins by fluorescence assay
50018570	2	ChEMBL_2279079	Inhibition of porcine APN using fluorogenic substrate H-Leu-AMC measured for 1 hr
50018571	1	ChEMBL_2279095	Inhibition of CYP17AI in human LNCaP cells
50018571	2	ChEMBL_2279096	Inhibition of CYP17AI in human 22Rv1 cells
50018571	3	ChEMBL_2279097	Induction of degradation of full length Androgen receptor (unknown origin)
50018571	4	ChEMBL_2279099	Binding affinity to GST tagged AR LBD (unknown orign) by radioligand binding assay
50018571	5	ChEMBL_2279104	Induction of degradation of AR LBD in human LNCaP cells
50018571	6	ChEMBL_2279105	Inhibition of AR LBD in human LNCaP cells
50018571	7	ChEMBL_2279123	Inhibition of Androgen receptor (unknown origin)
50018572	1	ChEMBL_2279190	Inhibition of human cytosolic carbonic anhydrase 1 using 4-nitrophenyl acetate as substrate assessed as inhibition constant by spectrophotometric analysis
50018572	2	ChEMBL_2279191	Inhibition of human cytosolic carbonic anhydrase 2 using 4-nitrophenyl acetate as substrate assessed as inhibition constant by spectrophotometric analysis
50018572	3	ChEMBL_2279192	Inhibition of human transmembrane carbonic anhydrase 4 using 4-nitrophenyl acetate as substrate assessed as inhibition constant by spectrophotometric analysis
50018572	4	ChEMBL_2279193	Inhibition of human transmembrane carbonic anhydrase 9 using 4-nitrophenyl acetate as substrate assessed as inhibition constant by spectrophotometric analysis
50018572	5	ChEMBL_2279194	Inhibition of human transmembrane carbonic anhydrase 12 using 4-nitrophenyl acetate as substrate assessed as inhibition constant by spectrophotometric analysis
50018573	1	ChEMBL_2279202	Inhibition of DLK (unknown origin)
50018573	2	ChEMBL_2279203	Inhibition of LZK (unknown origin)
50018573	3	ChEMBL_2279204	Inhibition of recombinant N-terminal GST-tagged human DLK (9 to 111 residues) expressed in Sf21 cells assessed as reduction in substrate phosphorylation using MKK4 and ATP as substrate incubated for 1.5 hrs by HTRF analysis
50018573	4	ChEMBL_2279205	Inhibition of recombinant N-terminal GST-tagged human LZK (9 to 114 residues) expressed in Sf21 cells assessed as reduction in substrate phosphorylation using MKK4 and ATP as substrate incubated for 1.5 hrs by HTRF analysis
50018573	5	ChEMBL_2279206	Inhibition of human DLK expressed in HEK cells assessed as reduction in phospho-c-Jun level preincubated for 45 mins followed by doxycycline stimulation and measured after 24 hrs by MSD ELISA
50018574	1	ChEMBL_2279323	Inhibition of porcine brain tubulin assessed as changes in the fluorescence intensity measured for 60 mins by cell free tubulin polymerization assay
50018574	2	ChEMBL_2279327	Binding affinity to porcine brain tubulin assessed as changes in the fluorescence incubated for 10 mins tryptophan-based binding assay
50018576	1	ChEMBL_2279405	Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia coli by ITC assay
50018578	1	ChEMBL_2279433	Displacement of MK499 from human ERG
50018578	2	ChEMBL_2279434	Inhibition of Nav1.5 (unknown origin)
50018578	3	ChEMBL_2279436	Reversible inhibition of CYP3A4 (unknown origin)
50018578	4	ChEMBL_2279437	Reversible inhibition of CYP2D6 (unknown origin)
50018578	5	ChEMBL_2279438	Reversible inhibition of CYP2C9 (unknown origin)
50018578	6	ChEMBL_2279440	Inhibition of human PXR
50018579	1	ChEMBL_2279465	Inhibition of GST20-tagged human LRRK2 G2019S mutant using LRRKtide peptide preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET assay
50018579	2	ChEMBL_2279466	Inhibition of GST20-tagged LRRK2 in human SH-SY5Y cells assessed as reduction in pSer935 phosphorylation incubated for 90 mins by MSD assay
50018579	3	ChEMBL_2279527	Inhibition of LRRK2 in human PBMCs assessed as reduction in Ser95 phosphorylation
50018581	1	ChEMBL_2279561	Inhibition of BODIPY FL vindoline binding to recombinant human GST-tagged PXR LBD (111 to 434 residues) expressed in baculovirus infected insect cells incubated for 1 mins under shaking condition followed by 60 mins under dark condition by TR-FRET assay
50018581	2	ChEMBL_2279563	Agonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as transcriptional activation incubated for 24 hrs by luminescence based analysis
50018581	3	ChEMBL_2279565	Inverse agonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as inhibition of receptor basal activity incubated for 24 hrs by luminescence based analysis
50018581	4	ChEMBL_2279567	Antagonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as inhibition in rifampicin-induced receptor activation incubated for 24 hrs by luminescence based analysis
50018583	1	ChEMBL_2279581	Inhibition of FGFR4 (unknown origin) using TK as substrate incubated for 1 hr in presence of biotin/ATP by HTRF assay
50018583	2	ChEMBL_2279608	Inhibition of FGFR1 (unknown origin) using TK as substrate incubated for 1 hr in presence of biotin/ATP by HTRF assay
50018583	3	ChEMBL_2279609	Inhibition of FGFR2 (unknown origin) using TK as substrate incubated for 1 hr in presence of biotin/ATP by HTRF assay
50018583	4	ChEMBL_2279610	Inhibition of FGFR3 (unknown origin) using TK as substrate incubated for 1 hr in presence of biotin/ATP by HTRF assay
50018584	1	ChEMBL_2279622	Inhibition of COX1 (unknown origin)
50018584	2	ChEMBL_2279624	Inhibition of 5-LOX (unknown origin)
50018584	3	ChEMBL_2279625	Inhibition of TRPV1 (unknown origin)
50018586	1	ChEMBL_2279648	Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in human HEK293T cell membranes by radioligand competition binding based analysis
50018586	2	ChEMBL_2279649	Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in human HEK293T cell membranes by radioligand competition binding based analysis
50018586	3	ChEMBL_2279650	Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in human HEK293T cell membranes by radioligand competition binding based analysis
50018586	4	ChEMBL_2279651	Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in human HEK293T cell membranes by radioligand competition binding based analysis
50018586	5	ChEMBL_2279652	Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in human HEK293T cell membranes by radioligand competition binding based analysis
50018586	6	ChEMBL_2279657	Binding affinity to human muscarinic M3 receptor expressed in human HEK293T cells assessed as inhibition of carbachol-induced G-protein signaling by measuring inositol accumulation preincubated for 30 mins followed by carbachol stimulation and measured after 90 mins by HTRF assay
50018586	7	ChEMBL_2279658	Binding affinity to human muscarinic M3 receptor expressed in human HEK293T cells cells co-expressing beta-arrestin2 assessed as inhibition of carbachol-induced beta-arrestin recruitment preincubated for 30 mins followed by carbachol stimulation and measured after 90 mins by PathHunter assay
50018586	8	ChEMBL_2279659	Agonist activity at human muscarinic M3 receptor expressed in human HEK293T cells assessed as activation of G-protein signaling by measuring inositol accumulation incubated for 90 mins by HTRF assay
50018586	9	ChEMBL_2279660	Agonist activity at human muscarinic M3 receptor expressed in human HEK293T cells cells co-expressing beta-arrestin2 assessed as stimulation of beta-arrestin recruitment incubated 90 mins by PathHunter assay
50018586	10	ChEMBL_2279661	Binding affinity to saturated human muscarinic M3 expressed in CHO cells assessed as dissociation constant incubated for 2 hrs by flow cytometry
50018586	11	ChEMBL_2279662	Binding affinity to saturated human muscarinic M3 expressed in CHO cells assessed as dissociation constant incubated for 2 hrs in presence of atropine by flow cytometry
50018586	12	ChEMBL_2279663	Binding affinity to saturated human muscarinic M1 expressed in CHO cells assessed as dissociation constant incubated for 2 hrs in presence of atropine by flow cytometry
50018586	13	ChEMBL_2279664	Binding affinity to saturated human muscarinic M1 expressed in CHO cells assessed as dissociation constant incubated for 2 hrs by flow cytometry
50018586	14	ChEMBL_2279670	Displacement of atropine from human muscarinic M3 receptor expressed in CHO cells incubated for 2 hrs by flow cytometric competition binding assay
50018586	15	ChEMBL_2279671	Displacement of tiotropium bromide from human muscarinic M3 receptor expressed in CHO cells incubated for 4 hrs by flow cytometric competition binding assay
50018591	1	ChEMBL_2279747	Inhibition of human ERG expressed in CHO-K1 cells by Q-patch clamp assay
50018593	1	ChEMBL_2279826	Inhibition of wild type EGFR (unknown origin) autophosphorylation by Kinase-Glo luminescent assay
50018594	1	ChEMBL_2279916	Inhibition of human recombinant PARP1 by ELISA method
50018594	2	ChEMBL_2279917	Inhibition of human recombinant PARP2 by ELISA method
50018594	3	ChEMBL_2279920	Inhibition of PARP1 (unknown origin)
50018594	4	ChEMBL_2279921	Inhibition of PARP1 (unknown origin) incubated for 30 mins by fluorescence based analysis
50018594	5	ChEMBL_2279923	Inhibition of PARP16 (unknown origin)
50018594	6	ChEMBL_2279924	Inhibition of PARP3 (unknown origin)
50018594	7	ChEMBL_2279925	Inhibition of PARP2 (unknown origin)
50018594	8	ChEMBL_2279926	Inhibition of BRD4 (unknown origin)
50018594	9	ChEMBL_2279927	Inhibition of EGFR (unknown origin)
50018595	1	ChEMBL_2279995	Inhibition of CYP1A1 (unknown origin)
50018595	2	ChEMBL_2279996	Inhibition of CYP1B1 (unknown origin)
50018595	3	ChEMBL_2279997	Inhibition of CYP1A2 (unknown origin)
50018595	4	ChEMBL_2279998	Inhibition of CYP1A1 (unknown origin) assessed as inhibition constant
50018595	5	ChEMBL_2279999	Inhibition of human CYP1A1
50018595	6	ChEMBL_2280000	Inhibition of human CYP1B1
50018595	7	ChEMBL_2280043	Inhibition of recombinant human CYP1B1 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay
50018595	8	ChEMBL_2280044	Inhibition of recombinant human CYP1A1 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay
50018595	9	ChEMBL_2280045	Inhibition of recombinant human CYP1A2 using 7-ethyl-0-resorufin as substrate incubated for 30 mins in presence of NADPH by EROD assay
50018596	1	ChEMBL_2280110	Agonist activity at N-terminal FLAG tagged human FFAR1 transfected in African green monkey COS-7 cells assessed as accumulation of inositol phosphate incubated for 90 mins by TopCount NXT counter based analysis
50018596	2	ChEMBL_2280112	Agonist activity at N-terminal FLAG tagged human FFAR4 transfected in African green monkey COS-7 cells assessed as accumulation of inositol phosphate incubated for 90 mins by TopCount NXT counter based analysis
50018596	3	ChEMBL_2280117	Agonist activity at FFAR1 (unknown origin)
50018598	1	ChEMBL_2280129	Binding affinity to N-terminal 6His tagged human HSP90alpha (1 to 223 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 24 hrs by fluorescence polarization assay
50018598	2	ChEMBL_2280130	Binding affinity to HSP90beta (unknown origin)
50018598	3	ChEMBL_2280132	Binding affinity to Grp94 (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50018598	4	ChEMBL_2280133	Binding affinity to Trap1 (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50018600	1	ChEMBL_2280172	Positive allosteric modulation of rat mGluR7
50018600	2	ChEMBL_2280178	Positive allosteric modulation of human mGluR1
50018600	3	ChEMBL_2280179	Positive allosteric modulation of human mGluR2
50018600	4	ChEMBL_2280180	Positive allosteric modulation of human mGluR3
50018600	5	ChEMBL_2280181	Positive allosteric modulation of human mGluR4
50018600	6	ChEMBL_2280182	Positive allosteric modulation of human mGluR5
50018600	7	ChEMBL_2280183	Positive allosteric modulation of human mGluR8
50018600	8	ChEMBL_2280196	Positive allosteric modulation of mGluR4 (unknown origin)
50018600	9	ChEMBL_2280197	Positive allosteric modulation of mGluR7 (unknown origin)
50018600	10	ChEMBL_2280198	Positive allosteric modulation of mGluR8 (unknown origin)
50018600	11	ChEMBL_2280199	Positive allosteric modulation of mGluR1 (unknown origin)
50018600	12	ChEMBL_2280200	Positive allosteric modulation of mGluR2 (unknown origin)
50018600	13	ChEMBL_2280201	Positive allosteric modulation of mGluR3 (unknown origin)
50018600	14	ChEMBL_2280202	Positive allosteric modulation of mGluR5 (unknown origin)
50018601	1	ChEMBL_2280203	Inhibition of unphosphorylated BTK (unknown origin) in the presence of ATP by FRET assay
50018601	2	ChEMBL_2280218	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 15 mins in the presence of NADPH by LC/MS/MS analysis
50018601	3	ChEMBL_2280219	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 15 mins in the presence of NADPH by LC/MS/MS analysis
50018601	4	ChEMBL_2280220	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate measured after 15 mins in the presence of NADPH by LC/MS/MS analysis
50018601	5	ChEMBL_2280221	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 15 mins in the presence of NADPH by LC/MS/MS analysis
50018601	6	ChEMBL_2280222	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 15 mins in the presence of NADPH by LC/MS/MS analysis
50018601	7	ChEMBL_2280223	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 30 mins in the presence of NADPH by LC/MS/MS analysis
50018602	1	ChEMBL_2280259	Inverse agonist activity at GST tagged human PPARgamma LBD (231 to 505 residues) expressed in Escherichia coli BL21(DE3) assessed as recruitment of fluorescein labeled corepressor NCOR2 Smrt-ID2 peptide to PPARgamma LBD incubated for 24 hrs by LanthaScreen TR-FRET assay
50018602	2	ChEMBL_2280261	Inverse agonist activity at human PPARgamma in human RT112/84 transfected with NLuc-fused FABP4 assessed as reduction in PPARgamma transactivation incubated for 6 to 18 hrs by Nano-Glo luciferase assay
50018602	3	ChEMBL_2280277	Transactivation of human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as increase in luciferase activity incubated for 24 hrs by luminescence based analysis
50018602	4	ChEMBL_2280278	Inverse agonist activity at human PPARgamma expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional repression preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	5	ChEMBL_2280280	Agonist activity at human PPARalpha expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional activation preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	6	ChEMBL_2280282	Inverse agonist activity at human PPARdelta expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional repression preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	7	ChEMBL_2280284	Inverse agonist activity at human FXR expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional repression preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	8	ChEMBL_2280285	Inverse agonist activity at human THRA expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional repression preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	9	ChEMBL_2280286	Inverse agonist activity at human THRB expressed in CHO cells co-expressing GAL4-NHR-LBD assessed as transcriptional repression preincubated for 6 hrs followed by luciferin addition by luminescence method
50018602	10	ChEMBL_2280298	Inverse agonist activity at PPARgamma in mouse 3T3-L1 adipocytes assessed as inhibition of adipogenesis by measuring lipid droplet staining by BODIPY 495 incubated for 6 days by fluorescence based assay
50018603	1	ChEMBL_2280305	Inhibition of electrical eel AChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by DTNB reagent based Ellman's method
50018603	2	ChEMBL_2280306	Inhibition of equine BChE using acetylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by DTNB reagent based Ellman's method
50018603	3	ChEMBL_2280307	Inhibition of human D3 receptor expressed in CHO cells assessed as inhibition constant by scintillation counting method
50018603	4	ChEMBL_2280308	Inhibition of human H3 receptor assessed as inhibition constant incubated for 90 mins by scintillation counting method
50018603	5	ChEMBL_2280317	Binding affinity to human H3 receptor assessed as inhibition constant incubated for 90 mins by scintillation counting method
50018603	6	ChEMBL_2280318	Binding affinity to human D3 receptor expressed in CHO cells assessed as inhibition constant by scintillation counting method
50018604	1	ChEMBL_2280319	Displacement of flumazenil from alpha5 GABAA receptor (unknown origin)
50018604	2	ChEMBL_2280320	Displacement of flumazenil from alpha1 GABAA receptor (unknown origin)
50018604	3	ChEMBL_2280325	Negative allosteric modulation of alpha5 GABAA (unknown origin)
50018604	4	ChEMBL_2280326	Negative allosteric modulation of alpha1 GABAA (unknown origin)
50018605	1	ChEMBL_2280402	Inhibition of recombinant human AMPD2 using AMP as substrate incubated for 30 mins by spectrophotometric analysis
50018605	2	ChEMBL_2280403	Inhibition of recombinant human AMPD2 using AMP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50018605	3	ChEMBL_2280405	Inhibition of recombinant mouse AMPD2 using AMP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50018607	1	ChEMBL_2280431	Displacement of [3H]-spiroperidol from rat D2L receptor expressed in HEK293 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50018607	2	ChEMBL_2280432	Displacement of [3H]-spiroperidol from rat D3 receptor expressed in HEK293 cells assessed as inhibition constant by Cheng-Prusoff equation analysis
50018607	3	ChEMBL_2280435	Agonist activity at human D2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by Perkin elmer analysis
50018607	4	ChEMBL_2280437	Agonist activity at human D3 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by Perkin elmer analysis
50018608	1	ChEMBL_2280496	Inhibition of electric eel AChE using ATCI and BTCI as substrate preincubated for 5 mins followed by substrate addition and measured after 3 mins by DTNB-reagent based Ellman's method
50018608	2	ChEMBL_2280497	Inhibition of equine serum BuChE using ATCI and BTCI as substrate preincubated for 5 mins followed by substrate addition and measured after 3 mins by DTNB-reagent based Ellman's method
50018608	3	ChEMBL_2280502	Inhibition of human erythrocyte AChE using ATCI and BTCI as substrate preincubated for 5 mins followed by substrate addition and measured after 3 mins by DTNB-reagent based Ellman's method
50018608	4	ChEMBL_2280503	Inhibition of human serum BuChE using ATCI and BTCI as substrate preincubated for 5 mins followed by substrate addition and measured after 3 mins by DTNB-reagent based Ellman's method
50018608	5	ChEMBL_2280509	Mixed type inhibition of human BuChE assessed as inhibition constant using butyrylthiocholine iodide as substrate by lineweaver-burk plot analysis
50018610	1	ChEMBL_2280528	Induction of HMGCR degradation in HEK293 cells incubated for 4 hrs by luciferase based assay
50018610	2	ChEMBL_2280529	Induction of HMGCR degradation in CHO-7 cells incubated for 16 hrs by immunoblotting assay
50018610	3	ChEMBL_2280530	Induction of HMGCR degradation in human HepG2 cells incubated for 3 hrs by densitometric analysis
50018610	4	ChEMBL_2280531	Induction of HMGCR degradation (unknown origin)
50018611	1	ChEMBL_2280544	Binding affinity to PPLS-HA tagged human GPR88 expressed in CHO cell membrane by filtration method
50018611	2	ChEMBL_2280545	Agonist activity at GPR88 (unknown origin) transfected in HEK293 cells assessed as cAMP level by GloSensor cAMP assay
50018611	3	ChEMBL_2280546	Displacement of [3H]RTI-33 from GPR88 (unknown origin) by competition binding assay
50018611	4	ChEMBL_2280548	Binding affinity to GPR88 in mouse striatal membrane by filtration method
50018612	1	ChEMBL_2280556	Inhibition of PI3Kalpha (unknown origin) by kinase-glo luminescent assay
50018612	2	ChEMBL_2280557	Inhibition of mTOR (unknown origin) by kinase-glo luminescent assay
50018612	3	ChEMBL_2280581	Inhibition of mTOR (unknown origin)
50018612	4	ChEMBL_2280582	Inhibition of PI3Kalpha (unknown origin)
50018613	1	ChEMBL_2280589	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50018614	1	ChEMBL_2280741	Induction of KRAS G12C degradation in human MIA PaCa-2 cells assessed as reduction in KRAS G12C protein level incubated for 24 hrs by immunoblotting analysis
50018617	1	ChEMBL_2280752	Inhibition of factor Xa (unknown origin)
50018617	2	ChEMBL_2280762	Inhibition of factor Xa (unknown origin) assessed as inhibition constant
50018618	1	ChEMBL_2280810	Chaperone activity at GCase N370S GBA mutant in patient derived fibroblast cell using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate assessed as substrate cleavage by measuring concentration required for maximal response incubated for 5 days by fluorescence based assay
50018618	2	ChEMBL_2280814	Chaperone activity at GCase N370S GBA mutant in patient derived fibroblast cell assessed as GCase level incubated for 5 days by immunocytochemistry assay
50018618	3	ChEMBL_2280815	Inhibition of recombinant GCase (unknown origin) using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate at pH 4.5
50018618	4	ChEMBL_2280816	Inhibition of GCase in patient derived fibroblast cells using 5'pentafluorobenzoylaminofluorescein-di-beta-D-glucoside as substrate assessed as substrate hydrolysis by FACS analysis
50018620	1	ChEMBL_2280818	Inhibition of GSK-3beta (unknown origin) incubated for 1 hr by HTRF assay
50018620	2	ChEMBL_2280819	Inhibition of tau phosphorylation (unknown origin)
50018621	1	ChEMBL_2280845	Inhibition of HDAC1 (unknown origin) using fluorogenic peptide RHKKAc-AMC as substrate by fluorescence-based assay
50018621	2	ChEMBL_2280846	Inhibition of HDAC6 (unknown origin) using fluorogenic peptide RHKKAc-AMC as substrate by fluorescence-based assay
50018621	3	ChEMBL_2280848	Inhibition of HDAC2 (unknown origin) using fluorogenic peptide RHKKAc-AMC as substrate by fluorescence-based assay
50018621	4	ChEMBL_2280849	Inhibition of HDAC3 (unknown origin) using fluorogenic peptide RHKKAc-AMC as substrate by fluorescence-based assay
50018621	5	ChEMBL_2280850	Inhibition of HDAC5 (unknown origin) using trifluoroacetyl lysine as substrate by fluorescence-based assay
50018621	6	ChEMBL_2280851	Inhibition of HDAC3 (unknown origin) using fluorogenic peptide RHKAcKAc-AMC as substrate by fluorescence-based assay
50018622	1	ChEMBL_2280903	Inhibition of PDK1 (unknown origin)
50018622	2	ChEMBL_2280904	Inhibition of AURA (unknown origin)
50018622	3	ChEMBL_2280909	Inhibition of mTOR (unknown origin) by ELISA based kinase assay
50018622	4	ChEMBL_2280915	Inhibition of human EGFR
50018622	5	ChEMBL_2280916	Inhibition of Src (unknown origin)
50018622	6	ChEMBL_2280919	Inhibition of human EGFR phosphorylation by invitro enzyme assay
50018622	7	ChEMBL_2280926	Inhibition of human P13Kalpha
50018622	8	ChEMBL_2280927	Inhibition of human BRAF V600E mutant
50018622	9	ChEMBL_2280928	Inhibition of RET (unknown origin) by invitro kinase assay
50018622	10	ChEMBL_2280929	Inhibition of RET V804M mutant (unknown origin) by invitro kinase assay
50018622	11	ChEMBL_2280930	Inhibition of VEGFR2 (unknown origin) by invitro kinase assay
50018623	1	ChEMBL_2280973	Binding affinity to aromatase (unknown origin) assessed as inhibition constant
50018624	1	ChEMBL_2280975	Inhibition of CDK8 (unknown origin)
50018624	2	ChEMBL_2280976	Inhibition of RAF1 (unknown origin)
50018624	3	ChEMBL_2280977	Inhibition of BRAF (unknown origin)
50018624	4	ChEMBL_2280978	Inhibition of VEGFR-3 (unknown origin)
50018624	5	ChEMBL_2280979	Inhibition of FLK1 (unknown origin)
50018624	6	ChEMBL_2280980	Inhibition of FLT3 (unknown origin)
50018624	7	ChEMBL_2280981	Binding affinity to CDK8 (unknown origin)
50018624	8	ChEMBL_2280983	Inhibition of CDK8/Cyclin C (unknown origin) using RBER-IRStide as substrate by radiometric assay
50018624	9	ChEMBL_2280985	Inhibition of HSP90 (unknown origin)
50018625	1	ChEMBL_2280986	Displacement of [3H]-17beta-estradiol from bovine uterine estrogen receptor by competitive binding assay
50018625	2	ChEMBL_2281000	Inhibition of estrone sulfatase in human MCF7 cell microsomes
50018625	3	ChEMBL_2281001	Inhibition of estrone sulfatase in homogeneous rat mammary tumors
50018625	4	ChEMBL_2281002	Inhibition of rat liver SULT1A1-mediated oestradiol sulfonation incubated for 20 mins
50018625	5	ChEMBL_2281003	Inhibition of rat SULT2A1-mediated dehydroepiandrosterone sulfonation incubated for 20 mins
50018626	1	ChEMBL_2281004	Inhibition of MMP2 (unknown origin)
50018626	2	ChEMBL_2281005	Inhibition of MMP9 (unknown origin)
50018626	3	ChEMBL_2281006	Inhibition of MMP8 (unknown origin)
50018626	4	ChEMBL_2281007	Inhibition of MMP12 (unknown origin)
50018626	5	ChEMBL_2281008	Inhibition of MMP9 (unknown origin) assessed as dissociation constant
50018626	6	ChEMBL_2281009	Inhibition of MMP2 (unknown origin) assessed as inhibition constant
50018626	7	ChEMBL_2281010	Inhibition of MMP9 (unknown origin) assessed as inhibition constant
50018626	8	ChEMBL_2281011	Inhibition of MMP7 (unknown origin) assessed as inhibition constant
50018626	9	ChEMBL_2281012	Inhibition of MMP14 (unknown origin) assessed as inhibition constant
50018626	10	ChEMBL_2281013	Inhibition of MMP12 (unknown origin) assessed as inhibition constant
50018626	11	ChEMBL_2281014	Inhibition of MMP8 (unknown origin) assessed as inhibition constant
50018626	12	ChEMBL_2281015	Inhibition of MMP7 (unknown origin)
50018626	13	ChEMBL_2281016	Inhibition of MMP14 (unknown origin)
50018627	1	ChEMBL_2281067	Binding affinity to fluorescent-labeled BH3 peptide from GST tagged MCL1 (172 to 320 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins by fluorescence polarization-based competitive binding assay
50018627	2	ChEMBL_2281068	Inhibition of Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli BL21 (DE3) using TS2 and NADPH as substrate by incubated for 10 mins followed by substrate addition by DTNB-reagent based spectrophotometric method
50018627	3	ChEMBL_2281069	Displacement of fluorescent-labeled BH3 peptide from recombinant MCL1 (unknown origin) by fluorescence polarization-based competitive binding assay
50018627	4	ChEMBL_2281070	Inhibition of alpha-Synuclein (unknown origin)
50018627	5	ChEMBL_2281071	Inhibition of islet amyloid polypeptide (unknown origin) aggregation
50018627	6	ChEMBL_2281072	Binding affinity to amyloid beta 40 (unknown origin) by ITC method
50018627	7	ChEMBL_2281077	Binding affinity to amyloid beta 42 (unknown origin) assessed as dissociation constant
50018627	8	ChEMBL_2281078	Binding affinity to c-MYC (unknown origin) assessed as dissociation constant
50018627	9	ChEMBL_2281079	Inhibition of hypoxia-induced HIF1alpha/P300 interaction (unknown origin) incubated for 30 mins for fluorescence anisotropy competition assay
50018627	10	ChEMBL_2281087	Antagonist activity at human his 6- trx tagged MCL1-Bim BH3 peptide by fluorescence polarization competition assay
50018627	11	ChEMBL_2281088	Inhibition of FITC-labeled BH3 peptide binding to MCL1 (unknown origin)
50018627	12	ChEMBL_2281089	Displacement of fluorescein tagged Bak BH3 peptide from MCL-1 (172 to 327 residues) (unknown origin) by fluorescence polarization competition assay
50018628	1	ChEMBL_2281103	Inhibition of recombinant FGFR1 (unknown origin) incubated for 60 mins by ELISA analysis
50018628	2	ChEMBL_2281104	Inhibition of recombinant FGFR2 (unknown origin) incubated for 60 mins by ELISA analysis
50018628	3	ChEMBL_2281105	Inhibition of recombinant FGFR3 (unknown origin) incubated for 60 mins by ELISA analysis
50018628	4	ChEMBL_2281106	Inhibition of recombinant VEGFR1 (unknown origin) incubated for 60 mins by ELISA analysis
50018628	5	ChEMBL_2281107	Inhibition of recombinant VEGFR2 (unknown origin) incubated for 60 mins by ELISA analysis
50018628	6	ChEMBL_2281108	Inhibition of recombinant PDGFRalpha (unknown origin) incubated for 60 mins by ELISA analysis
50018628	7	ChEMBL_2281109	Inhibition of recombinant PDGFRbeta (unknown origin) incubated for 60 mins by ELISA analysis
50018628	8	ChEMBL_2281110	Inhibition of recombinant FGFR1 (unknown origin) in the presence of [p33]-ATP
50018628	9	ChEMBL_2281111	Inhibition of recombinant FGFR2 (unknown origin) in the presence of [p33]-ATP
50018628	10	ChEMBL_2281112	Inhibition of recombinant FGFR3 (unknown origin) in the presence of [p33]-ATP
50018628	11	ChEMBL_2281113	Inhibition of recombinant FGFR4 (unknown origin) in the presence of [p33]-ATP
50018628	12	ChEMBL_2281114	Inhibition of recombinant VEGFR1 (unknown origin) in the presence of [p33]-ATP
50018628	13	ChEMBL_2281115	Inhibition of recombinant VEGFR2 (unknown origin) in the presence of [p33]-ATP
50018628	14	ChEMBL_2281116	Inhibition of recombinant VEGFR3 (unknown origin) in the presence of [p33]-ATP
50018628	15	ChEMBL_2281117	Inhibition of FRS2 phosphorylation at Tyr196 residue in human NCI-H1581 cells incubated for 20 mins by electrochemiluminescence method
50018628	16	ChEMBL_2281118	Inhibition of FRS2 phosphorylation at Tyr196 residue in human SNU-16 cells incubated for 20 mins by electrochemiluminescence method
50018628	17	ChEMBL_2281119	Inhibition of FRS2 phosphorylation at Tyr196 residue in human RT-4 cells incubated for 20 mins by electrochemiluminescence method
50018628	18	ChEMBL_2281122	Inhibition of PIK3C3 (unknown origin) assessed as dissociation constant
50018628	19	ChEMBL_2281123	Inhibition of N-terminal GST tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 cells by ELISA analysis
50018628	20	ChEMBL_2281124	Inhibition of N-terminal 6his tagged recombinant human FGFR2 (456 to 770 residues) expressed in baculovirus infected Sf21 cells by ELISA analysis
50018628	21	ChEMBL_2281125	Inhibition of N-terminal 6his tagged recombinant human FGFR3 (447 to 761 residues) expressed in baculovirus infected Sf21 cells by ELISA analysis
50018628	22	ChEMBL_2281126	Inhibition of CSF1-R (unknown origin) by Z'-LYTE Kinase assay
50018628	23	ChEMBL_2281127	Inhibition of N-terminal 6his tagged recombinant human FGFR2 N549H mutant (456 to 770 residues) expressed in baculovirus infected Sf21 cells by ELISA analysis
50018628	24	ChEMBL_2281128	Inhibition of N-terminal GST tagged recombinant human FGFR1 V561M mutant (456 to 765 residues) expressed in baculovirus infected Sf21 cells by ELISA analysis
50018628	25	ChEMBL_2281130	Inhibition of FGFR1 (unknown origin) by Z'-LYTE Kinase assay
50018628	26	ChEMBL_2281131	Inhibition of FGFR2 (unknown origin) by Z'-LYTE Kinase assay
50018628	27	ChEMBL_2281132	Inhibition of FGFR3 (unknown origin) by Z'-LYTE Kinase assay
50018628	28	ChEMBL_2281133	Inhibition of FGFR4 (unknown origin) by Z'-LYTE Kinase assay
50018628	29	ChEMBL_2281134	Inhibition of EGFR (unknown origin) by Z'-LYTE Kinase assay
50018628	30	ChEMBL_2281135	Inhibition of EGFR (unknown origin) using biotin as substrate incubated for 1 hrs in the presence of ATP by HTRF assay
50018628	31	ChEMBL_2281136	Inhibition of FGFR4 (unknown origin) using biotin as substrate incubated for 1 hrs in the presence of ATP by HTRF assay
50018628	32	ChEMBL_2281137	Inhibition of VEGFR1 (unknown origin)
50018628	33	ChEMBL_2281138	Inhibition of VEGFR2 (unknown origin)
50018628	34	ChEMBL_2281139	Inhibition of VEGFR3 (unknown origin)
50018628	35	ChEMBL_2281140	Inhibition of FGFR1 (unknown origin)
50018628	36	ChEMBL_2281141	Inhibition of FGFR2 (unknown origin)
50018628	37	ChEMBL_2281142	Inhibition of FGFR3 (unknown origin)
50018628	38	ChEMBL_2281143	Inhibition of PDGFR-beta (unknown origin)
50018628	39	ChEMBL_2281144	Inhibition of N-terminal 6-His tagged recombinant VEGFR2 Kinase domain (unknown origin) expressed in baculovirus expression system incubated for 30 mins in the presence of [33p]-ATP by scintillation counting analysis
50018628	40	ChEMBL_2281145	Inhibition of N-terminal 6-His tagged recombinant FGFR1 Kinase domain (unknown origin) expressed in baculovirus expression system incubated for 30 mins in the presence of [33p]-ATP by scintillation counting analysis
50018628	41	ChEMBL_2281146	Inhibition of N-terminal 6-His tagged recombinant PDGFRbeta Kinase domain (unknown origin) expressed in baculovirus expression system incubated for 30 mins in the presence of [33p]-ATP by scintillation counting analysis
50018628	42	ChEMBL_2281147	Inhibition of VEGFR1 (unknown origin) in the presence of ATP at Km concentration
50018628	43	ChEMBL_2281148	Inhibition of VEGFR2 (unknown origin) in the presence of ATP at Km concentration
50018628	44	ChEMBL_2281149	Inhibition of VEGFR3 (unknown origin) in the presence of ATP at Km concentration
50018628	45	ChEMBL_2281150	Inhibition of FGFR1 (unknown origin) in the presence of ATP at Km concentration
50018628	46	ChEMBL_2281151	Inhibition of FGFR2 (unknown origin) in the presence of ATP at Km concentration
50018628	47	ChEMBL_2281152	Inhibition of His tagged recombinant human FLT3 (564 to 958 residues) expressed in baculovirus expression system incubated for 1.5 hrs in the presence of ATP by Z'-LYTE kinase assay
50018628	48	ChEMBL_2281153	Inhibition of PDGFRalpha (unknown origin) incubated for 1.5 hrs in the presence of ATP by Z'-LYTE kinase assay
50018628	49	ChEMBL_2281154	Inhibition of His tagged recombinant human FGFR1 (308 to 731 residues) expressed in baculovirus expression system incubated for 1.5 hrs in the presence of ATP by Z'-LYTE kinase assay
50018629	1	ChEMBL_2281181	Inhibition of HIV-1 reverse transcriptase incubated for 90 mins by liquid scintillation counting analysis
50018630	1	ChEMBL_2281189	Inhibition of PD-1 (unknown origin)
50018630	2	ChEMBL_2281190	Inhibition of PD-L1 (unknown origin)
50018630	3	ChEMBL_2281191	Agonist activity at human TLR7 receptor
50018630	4	ChEMBL_2281192	Agonist activity at human TLR8 receptor
50018630	5	ChEMBL_2281194	Binding affinity to human STING assessed as dissociation constant
50018630	6	ChEMBL_2281197	Agonist activity at mouse STING
50018630	7	ChEMBL_2281198	Binding affinity to human STING assessed as dissociation constant by surface plasmon resonance
50018630	8	ChEMBL_2281199	Agonist activity at STING in human THP1-Dual cells assessed as increase in IFN-beta secretion incubated for 24 hrs
50018630	9	ChEMBL_2281200	Irreversible inhibition of recombinant human BTK
50018630	10	ChEMBL_2281201	Inhibition of BTK (unknown origin)
50018630	11	ChEMBL_2281202	Reversible inhibition of human BTK
50018630	12	ChEMBL_2281203	Inhibition of recombinant human ARG1 expressed in Escherichia coli using L-arginine hydrochloride as substrate incubated for 1 hr by colorimetric assay
50018630	13	ChEMBL_2281204	Inhibition of recombinant human ARG2 expressed in Escherichia coli using L-arginine hydrochloride as substrate incubated for 1 hr by colorimetric assay
50018630	14	ChEMBL_2281205	Inhibition of rat ARG1
50018630	15	ChEMBL_2281206	Inhibition of mouse ARG1
50018630	16	ChEMBL_2281207	Binding affinity to human ARG1 assessed as dissociation constant
50018630	17	ChEMBL_2281208	Binding affinity to human ARG2 assessed as inhibition constant
50018630	18	ChEMBL_2281209	Inhibition of TGF-beta receptor (unknown origin)
50018630	19	ChEMBL_2281210	Inhibition of SHP2 (unknown origin)
50018630	20	ChEMBL_2281211	Inhibition of SHP2 (unknown origin) at 100 mg/mL
50018630	21	ChEMBL_2281212	Inhibition of SHP1 (unknown origin)
50018630	22	ChEMBL_2281213	Inhibition of PTP1B (unknown origin)
50018630	23	ChEMBL_2281214	Inhibition of wildtype SHP2 (unknown origin)
50018630	24	ChEMBL_2281215	Inhibition of SHP2 (unknown origin) E76K mutant
50018630	25	ChEMBL_2281216	Inhibition of SHP2 T253M/Q257L mutant (unknown origin)
50018630	26	ChEMBL_2281217	Inhibition of SHP2 1-525 mutant (unknown origin)
50018630	27	ChEMBL_2281218	Inhibition of SHP (unknown origin)
50018630	28	ChEMBL_2281220	Inhibition of SHIP1 (unknown origin)
50018631	1	ChEMBL_2281227	Inhibition of SIRT1 (unknown origin)
50018634	1	ChEMBL_2281367	Inhibition of RXRalpha (unknown origin)
50018635	1	ChEMBL_2281369	Inhibition of USP7 (unknown origin)
50018635	2	ChEMBL_2281371	Inhibition of human NE
50018636	1	ChEMBL_2281377	Inhibition of human recombinant ALR2
50018637	1	ChEMBL_2281422	Binding affinity to recombinant human BAX assessed as dissociation constant by ITC analysis
50018637	2	ChEMBL_2281423	Binding affinity to BAX (unknown origin) assessed as dissociation constant by ITC analysis
50018637	3	ChEMBL_2281424	Binding affinity to recombinant human full length GST-tagged BAX expressed in Escherichia coli BL21 (DE3) measured after 20 mins by fluorescence polarization assay
50018637	4	ChEMBL_2281425	Binding affinity to recombinant human BAX (1 to 92 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 10 mins by microscale thermophoresis analysis
50018637	5	ChEMBL_2281426	Inhibition of recombinant human BAX expressed in Escherichia coli BL21 (DE3) assessed as inhibition of liposome permeabilization and measured for 2 hrs by fluorescence analysis
50018638	1	ChEMBL_2281427	Inhibition of Electrophorus electricus AchE
50018638	2	ChEMBL_2281428	Inhibition of human recombinant AchE
50018638	3	ChEMBL_2281429	Inhibition of human recombinant BACE1
50018638	4	ChEMBL_2281430	Inhibition of AChE (unknown origin)
50018638	5	ChEMBL_2281431	Inhibition of BACE1 (unknown origin)
50018639	1	ChEMBL_2281510	Agonist activity at PPARgamma (unknown origin)
50018639	2	ChEMBL_2281511	Binding affinity to PPARgamma (unknown origin)
50018639	3	ChEMBL_2281515	Agonist activity at PPARalpha (unknown origin)
50018639	4	ChEMBL_2281517	Agonist activity at PPARdelta (unknown origin)
50018639	5	ChEMBL_2281519	Antagonist activity at PPARgamma (unknown origin)
50018639	6	ChEMBL_2281522	Binding affinity to PPARalpha (unknown origin)
50018639	7	ChEMBL_2281524	Binding affinity to PPARdelta (unknown origin)
50018640	1	ChEMBL_2281544	Binding affinity to human CCK2R expressed in human A-431 cells
50018641	1	ChEMBL_2281545	Inhibition of C-terminal GST-tagged Bfl-1 (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50018641	2	ChEMBL_2281546	Inhibition of C-terminal GST-tagged Bfl-1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50018641	3	ChEMBL_2281547	Inhibition of Bfl-1/Bim (unknown origin) by fluorescence polarization assay
50018641	4	ChEMBL_2281548	Inhibition of Bfl-1/Bim (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50018641	5	ChEMBL_2281549	Inhibition of Bfl-1/Bim (unknown origin) incubated for 30 mins by TR-FRET assay
50018641	6	ChEMBL_2281551	Inhibition of Bfl-1 (unknown origin) by fluorescence polarization assay
50018641	7	ChEMBL_2281552	Displacement of fluorescent-labeled BID-BH3 peptide from His-tagged BFL-1 (unknown origin)
50018641	8	ChEMBL_2281553	Inhibition of Bcl-xl (unknown origin)
50018641	9	ChEMBL_2281554	Inhibition of Bcl-2 (unknown origin)
50018641	10	ChEMBL_2281555	Inhibition of Mcl-1 (unknown origin)
50018641	11	ChEMBL_2281556	Displacement of fluorescein tagged BID BH3 peptide from GST-tagged recombinant BFL-1 (unknown origin) by fluorescence polarization-based competitive binding assay
50018641	12	ChEMBL_2281557	Displacement of fluorescein tagged BID BH3 peptide from GST-tagged recombinant Bcl-xl (unknown origin) by fluorescence polarization-based competitive binding assay
50018641	13	ChEMBL_2281559	Displacement of fluorescein tagged BID BH3 peptide from GST-tagged recombinant Bcl-W (unknown origin) by fluorescence polarization-based competitive binding assay
50018641	14	ChEMBL_2281560	Displacement of fluorescein tagged BID BH3 peptide from GST-tagged recombinant Bcl-B (unknown origin) by fluorescence polarization-based competitive binding assay
50018641	15	ChEMBL_2281562	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50018642	1	ChEMBL_2281571	Inhibition of topoisomerase 1 (unknown origin)
50018642	2	ChEMBL_2281579	Inhibition of human topoisomerase 1
50018642	3	ChEMBL_2281588	Inhibition of human topoisomerase 1 incubated for 2 hrs by ELISA analysis
50018642	4	ChEMBL_2281595	Inhibition of telomerase (unknown origin)
50018642	5	ChEMBL_2281604	Inhibition of HDAC6 (unknown origin)
50018642	6	ChEMBL_2281607	Inhibition of HDAC (unknown origin)
50018642	7	ChEMBL_2281613	Inhibition of HDAC8 (unknown origin)
50018642	8	ChEMBL_2281616	Inhibition of c-MET (unknown origin)
50018642	9	ChEMBL_2281619	Inhibition of DNMT1 (unknown origin)
50018642	10	ChEMBL_2281626	Inhibition of human recombinant full-length N-terminal GST tagged DNMT1 (2 to 1632 residues) expressed in Sf9 insect cells using poly(dI-dC) as substrate by hotspot assay
50018642	11	ChEMBL_2281627	Inhibition of human recombinant DNMT3A (214 to 912 residues)expressed in Sf9 insect cells using lambda DNA as substrate by scintillation/filter plate assay
50018642	12	ChEMBL_2281629	Inhibition of DNMT3A (unknown origin)
50018642	13	ChEMBL_2281637	Inhibition of his-tagged human DNMT1 by scintillation counter analysis
50018642	14	ChEMBL_2281638	Inhibition of C-terminal biotin-labelled human DNMT3A by multilabel plate reader analysis
50018642	15	ChEMBL_2281641	Inhibition of N-terminal His-tagged EZH2 in human PRC2 complex (2 to end residues) expressed in Sf9 cells using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA immunodetection assay
50018642	16	ChEMBL_2281642	Inhibition of SMYD3 (unknown origin)
50018642	17	ChEMBL_2281646	Inhibition of G9a (unknown origin)
50018643	1	ChEMBL_2281647	Inhibition of HDAC1 (unknown origin)
50018643	2	ChEMBL_2281648	Inhibition of BRD4 BD1 (unknown origin)
50018643	3	ChEMBL_2281649	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by ITC analysis
50018643	4	ChEMBL_2281652	Inhibition of HDAC2 (unknown origin)
50018643	5	ChEMBL_2281653	Inhibition of HDAC3 (unknown origin)
50018643	6	ChEMBL_2281654	Inhibition of HDAC6 (unknown origin)
50018643	7	ChEMBL_2281655	Inhibition of HDAC8 (unknown origin)
50018643	8	ChEMBL_2281658	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by ITC analysis
50018643	9	ChEMBL_2281659	Inhibition of BRD4 BD2 (unknown origin)
50018643	10	ChEMBL_2281660	Inhibition of human N-terminal GST-tagged LSD1 expressed in Escherichia coli using ARTK (Me)-2QTARKSTGGKAPRKQLA as substrate/FLAG-tagged CoREST transfected in HEK293F cells incubated for 5 mins
50018643	11	ChEMBL_2281664	Inhibition of human LSD1 (unknown orgin)
50018643	12	ChEMBL_2281666	Inhibition of G9a (unknown origin)
50018643	13	ChEMBL_2281667	Inhibition of HDAC in human HeLa cells
50018643	14	ChEMBL_2281668	Inhibition of HDAC in human K562 cells
50018643	15	ChEMBL_2281674	Binding affinity to LSD1 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50018643	16	ChEMBL_2281676	Binding affinity BRD2 (unknown origin) assessed as dissociation constant
50018643	17	ChEMBL_2281677	Binding affinity BRD3 (unknown origin) assessed as dissociation constant
50018643	18	ChEMBL_2281678	Binding affinity BRD4 (unknown origin) assessed as dissociation constant
50018643	19	ChEMBL_2281679	Binding affinity to EP300 (unknown origin) assessed as dissociation constant
50018643	20	ChEMBL_2281680	Binding affinity to CBP (unknown origin) assessed as dissociation constant
50018644	1	ChEMBL_2281682	Inverse agonist activity at human GAL4-fused FXR LBD transfected in 293T cell measured after 24 hrs by dual luciferase assay
50018644	2	ChEMBL_2281683	Inverse agonist activity at human GAL4-fused RORgamma LBD (262 to 507 residues) transfected in HEK293T cell measured after 24 hrs by dual luciferase assay
50018644	3	ChEMBL_2281684	Inverse agonist activity at human GAL4-fused LXRalpha LBD transfected in 293T cell measured after 24 hrs by dual luciferase assay
50018644	4	ChEMBL_2281685	Inverse agonist activity at human GAL4-fused RORbeta LBD transfected in 293T cell measured after 24 hrs by dual luciferase assay
50018644	5	ChEMBL_2281686	Inverse agonist activity at human GAL4-fused RORalpha LBD transfected in 293T cell measured after 24 hrs by dual luciferase assay
50018645	1	ChEMBL_2281721	Antagonist activity at LPA1 receptor (unknown origin) assessed as inhibition constant
50018645	2	ChEMBL_2281722	Antagonist activity at human LPA1 receptor expressed in CHO cells
50018645	3	ChEMBL_2281723	Antagonist activity at human LPA3 receptor
50018645	4	ChEMBL_2281724	Antagonist activity at human LPA5 receptor expressed in CHO cells assessed as inhibition of LPA stimulated calcium release incubated for 20 mins followed by LPS stimulation and measured for 90 seconds
50018645	5	ChEMBL_2281725	Antagonist activity at human LPA5 receptor by FLIPR analysis
50018645	6	ChEMBL_2281726	Antagonist activity at human LPA1 receptor
50018645	7	ChEMBL_2281727	Inhibition of LPA2 receptor (unknown origin)
50018645	8	ChEMBL_2281728	Antagonist activity at LPA2 receptor (unknown origin)
50018645	9	ChEMBL_2281729	Antagonist activity at human LPA5 receptor assessed as inhibition of LPS-induced cAMP accumulation incubated for 20 mins
50018645	10	ChEMBL_2281730	Antagonist activity at human LPA2 receptor assessed as inhibition of LPS-induced calcium release
50018646	1	ChEMBL_2281731	Inhibition of P-selectin (unknown origin) incubated for 30 mins by ELISA
50018646	2	ChEMBL_2281732	Inhibition of DC-SIGN extracellular domain (unknown origin) expressed in Escherichia coli DE3(BL21) incubated for 1 hrs in presence of Man-Fl-BSA by high-throughput fluorescence-based assay
50018646	3	ChEMBL_2281733	Inhibition of human DC-SIGN overexpressed in human Raji cells incubated for 30 mins by flow cytometry
50018646	4	ChEMBL_2281734	Inhibition of human Langerin overexpressed in human Raji cells incubated for 30 mins by flow cytometry
50018646	5	ChEMBL_2281735	Inhibition of DC-SIGN extracellular domain (unknown origin) by SPR analysis
50018646	6	ChEMBL_2281749	Binding affinity to human Gal-1 assessed as decrease in Gal-1 levels by ELISA
50018647	1	ChEMBL_2281753	Inhibition of PNP (unknown origin) expressed in Escherichia coli
50018647	2	ChEMBL_2281754	Inhibition of tyrosinase (unknown origin) incubated for 20 mins
50018647	3	ChEMBL_2281764	Inhibition of DPP4 (unknown origin)
50018647	4	ChEMBL_2281765	Inhibition of human DPP4
50018647	5	ChEMBL_2281767	Inhibition of MAO-B (unknown origin)
50018647	6	ChEMBL_2281768	Binding affinity to human CRF1 receptor assessed as inhibition constant
50018647	7	ChEMBL_2281772	Binding affinity to rat CRF receptor assessed as inhibition constant
50018647	8	ChEMBL_2281773	Binding affinity to CRF (unknown origin) receptor assessed as inhibition constant
50018647	9	ChEMBL_2281774	Inhibition of GPR119 (unknown origin) at 10 uM
50018647	10	ChEMBL_2281775	Inhibition of CGRP (unknown origin)
50018647	11	ChEMBL_2281781	Inhibition of human CDK2 at 10 uM
50018648	1	ChEMBL_2281790	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate by UV Vis- spectrophotometer analysis
50018648	2	ChEMBL_2281791	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate by multimode plate reader analysis
50018648	3	ChEMBL_2281792	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate by UV based microplate reader analysis
50018648	4	ChEMBL_2281793	Agonist activity at human GPR119 incubated for 2 hrs by luciferase reporter gene assay
50018648	5	ChEMBL_2281795	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometer analysis
50018650	1	ChEMBL_2281818	Inhibition of Helicobacter pylori Glutamate racemase
50018650	2	ChEMBL_2281820	Inhibition of Helicobacter pylori MTAN assessed as dissociation constant
50018651	1	ChEMBL_2281826	Inhibition of SIRT2 (unknown origin)
50018651	2	ChEMBL_2281827	Inhibition of recombinant SIRT2 (unknown origin) using (FAM)-labeled fluorescent peptide-RHKK(Ac)LM by electrophoretic mobility shift assay
50018651	3	ChEMBL_2281831	Inhibition of human SIRT2 expressed in Escherichia coli BL21 using acetyl-H3K9 by HPLC based assay
50018651	4	ChEMBL_2281835	Inhibition of human SIRT2 using sirtuin substrate incubated for 30 mins by enzymatic fluorescence assay
50018651	5	ChEMBL_2281836	Inhibition of human GST-fused SIRT2 expressed in Escherichia coli BL21(DE3)
50018651	6	ChEMBL_2281839	Inhibition of human SIRT2 deacetylase activity measured after preincubation by HPLC method
50018651	7	ChEMBL_2281840	Inhibition of human SIRT2 defatty-acylase activity measured after preincubation by HPLC method
50018651	8	ChEMBL_2281841	Inhibition of human SIRT2 deacetylase activity using QPKKac as substrate
50018651	9	ChEMBL_2281842	Inhibition of human SIRT2 demyristoylation activity using ETDKac as substrate
50018651	10	ChEMBL_2281845	Inhibition of human SIRT2 using Ac-peptide as substrate assessed as fluorescence intensity by microplate reader
50018651	11	ChEMBL_2281849	Inhibition of human SIRT2 expressed in Escherichia coli BL21(DE3) using Ac-Arg-His-Lys-[Lys-(Ac)]-AMC substrate
50018651	12	ChEMBL_2281850	Inhibition of human SIRT2 using Ac-Glu-Thr-Asp-Lys(Dec)-AMC as substrate by fluorogenic based method
50018651	13	ChEMBL_2281851	Inhibition of human SIRT2
50018653	1	ChEMBL_2281852	Inhibition of MMP-13 (unknown origin)
50018653	2	ChEMBL_2281853	Inhibition of MMP-10 (unknown origin)
50018653	3	ChEMBL_2281854	Inhibition of MMP7 (unknown origin) using FRET peptide
50018653	4	ChEMBL_2281855	Inhibition of MMP10 (unknown origin) using FRET peptide
50018654	1	ChEMBL_2281859	Inhibition of HDAC1 (unknown origin) using (Boc-Lys (Ac)-AMC substrate incubated for 30 mins by fluorescence plate reader analysis
50018654	2	ChEMBL_2281860	Inhibition of HDAC6 (unknown origin) using (Boc-Lys (Ac)-AMC substrate incubated for 30 mins by fluorescence plate reader analysis
50018654	3	ChEMBL_2281866	Inhibition of HDAC6 (unknown origin)
50018654	4	ChEMBL_2281867	Inhibition of HDAC1 (unknown origin)
50018654	5	ChEMBL_2281868	Inhibition of HDAC3 (unknown origin)
50018654	6	ChEMBL_2282017	Inhibition of human CDK2/Cyclin A in presence of gamma32P-ATP
50018654	7	ChEMBL_2282018	Inhibition of human CDK5/p25 nck5a
50018654	8	ChEMBL_2282019	Inhibition of cdk1/Cyclin B (unknown origin)
50018654	9	ChEMBL_2282020	Inhibition of CDK2/Cyclin A (unknown origin)
50018654	10	ChEMBL_2282021	Inhibition of PLK1 (unknown origin)
50018654	11	ChEMBL_2282022	Inhibition of PLK2 (unknown origin)
50018654	12	ChEMBL_2282023	Inhibition of PLK3 (unknown origin)
50018654	13	ChEMBL_2282024	Inhibition of KSP (unknown origin)
50018654	14	ChEMBL_2282025	Inhibition of Topoisomerase 1 (unknown origin)
50018654	15	ChEMBL_2282026	Inhibition of HASPIN (unknown origin)
50018655	1	ChEMBL_2282114	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as diphenolase activity incubated for 30 mins by spectrophotometric method
50018655	2	ChEMBL_2282115	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as monophenolase activity incubated for 30 mins by spectrophotometric method
50018655	3	ChEMBL_2282116	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 20 mins
50018655	4	ChEMBL_2282120	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 5 mins
50018655	5	ChEMBL_2282121	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 mins
50018655	6	ChEMBL_2282122	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as inhibition constant incubated for 30 mins by spectrophotometric analysis
50018655	7	ChEMBL_2282123	Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by spectrophotometric analysis
50018655	8	ChEMBL_2282124	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as diphenolase activity incubated for 20 mins by microplate reader analysis
50018655	9	ChEMBL_2282125	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as monophenolase activity incubated for 20 mins by microplate reader analysis
50018655	10	ChEMBL_2282126	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as diphenolase activity
50018655	11	ChEMBL_2282127	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity
50018655	12	ChEMBL_2282128	Inhibition of mushroom tyrosinase
50018655	13	ChEMBL_2282129	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins by spectrophotometric assay
50018655	14	ChEMBL_2282130	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 10 mins
50018655	15	ChEMBL_2282131	Inhibition of mushroom tyrosinase incubated for 20 mins by spectrophotometric assay
50018655	16	ChEMBL_2282132	Inhibition of mushroom tyrosinase preincubated for 10 mins by spectrophotometric assay
50018655	17	ChEMBL_2282133	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by microtitre plate analysis
50018655	18	ChEMBL_2282134	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins
50018655	19	ChEMBL_2282135	Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by plate reader analysis
50018655	20	ChEMBL_2282136	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as diphenolase activity preincubated for 20 mins followed by substrate addition measured after 10 mins by plate reader analysis
50018655	21	ChEMBL_2282137	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity preincubated for 20 mins followed by substrate addition measured after 10 mins by plate reader analysis
50018655	22	ChEMBL_2282138	Inhibition of mushroom tyrosinase using L-DOPA as a substrate by UV-2450 spectrophotometeric assay
50018655	23	ChEMBL_2282139	Inhibition of mushroom tyrosinase using L-tyrosine as a substrate incubated for 10 mins
50018655	24	ChEMBL_2282140	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity incubated for 10 mins by microplate reader analysis
50018655	25	ChEMBL_2282141	Inhibition of mushroom tyrosinase using L-DOPA as a substrate assessed as inhibition constant incubated for 5 mins by microplate reader analysis
50018655	26	ChEMBL_2282142	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated with compound for 20 mins measured after 1 min
50018655	27	ChEMBL_2282143	Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as monophenolase activity by microplate reader analysis
50018655	28	ChEMBL_2282144	Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as diphenolase activity by microplate reader analysis
50018655	29	ChEMBL_2282145	Inhibition of mushroom tyrosinase using L-dopa as substrate by spectrophotometric analysis
50018655	30	ChEMBL_2282146	Inhibition of mushroom tyrosinase using L-dopa as substrate incubated for 30 mins by microplate reader analysis
50018655	31	ChEMBL_2282148	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 20 mins by microplate reader analysis
50018655	32	ChEMBL_2282150	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated with compound for 15 mins by microplate reader analysis
50018655	33	ChEMBL_2282151	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as inhibition constant preincubated with compound for 15 mins by microplate reader analysis
50018655	34	ChEMBL_2282153	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 5 mins
50018655	35	ChEMBL_2282154	Inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition measured after 2 mins by microtitre plate reader analysis
50018655	36	ChEMBL_2282155	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by microtitre plate reader analysis
50018655	37	ChEMBL_2282156	Inhibition of human his tagged tyrosinase expressed in HEK293 cells using L-DOPA as substrate incubated for 10 mins by microtitre plate reader analysis
50018655	38	ChEMBL_2282157	Inhibition of human his tagged tyrosinase expressed in HEK293 cells using L-DOPA as substrate by HTS analysis
50018655	39	ChEMBL_2282158	Inhibition of mushroom tyrosinase using L-DOPA as substrate by HTS analysis
50018656	1	ChEMBL_2282159	Inhibition of human MCT4 in human MDA-MB-231 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	2	ChEMBL_2282168	Binding affinity to full-length C-terminal GFP-tagged human MCT4 incubated for 1 hrs by fluorescence cross-correlation spectroscopy analysis
50018656	3	ChEMBL_2282172	Binding affinity to full-length C-terminal GFP-tagged mouse MCT4 incubated for 1 hrs by fluorescence cross-correlation spectroscopy analysis
50018656	4	ChEMBL_2282174	Inhibition of human MCT4 in human MDA-MB-231 cells assessed as inhibition of radioactive lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	5	ChEMBL_2282175	Inhibition of human MCT4 in human SNU-398 cells assessed as inhibition of radioactive lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	6	ChEMBL_2282176	Inhibition of human MCT4 in human SNU-398 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	7	ChEMBL_2282177	Inhibition of human MCT4 in human NCI-H358 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	8	ChEMBL_2282178	Inhibition of human MCT4 in human NCI-H441 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	9	ChEMBL_2282191	Inhibition of human MCT4 in human MIA PaCa-2 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018656	10	ChEMBL_2282192	Inhibition of human MCT4 in human RT-4 cells assessed as inhibition of lactate efflux preincubated for 30 mins followed by D(+)glucose and measured after 4 hrs by dialysis based UHPLC-ESI-Q-Orbitrap-MS analysis
50018659	1	ChEMBL_2282224	Inhibition of Akt1 (unknown origin)
50018659	2	ChEMBL_2282225	Inhibition of Akt2 (unknown origin)
50018659	3	ChEMBL_2282226	Inhibition of Akt3 (unknown origin)
50018659	4	ChEMBL_2282264	Binding affinity to CRBN (unknown origin) by Tr-FRET assay
50018661	1	ChEMBL_2282287	Inhibition of human recombinant PSMA
50018661	2	ChEMBL_2282296	Inhibition of recombinant PSMA (unknown origin)
50018663	1	ChEMBL_2282300	Inhibition of COX-1 (unknown origin)
50018663	2	ChEMBL_2282301	Inhibition of COX-2 (unknown origin)
50018663	3	ChEMBL_2282302	Inhibition of 5-LOX (unknown origin)
50018663	4	ChEMBL_2282303	Inhibition of human COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50018663	5	ChEMBL_2282304	Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50018663	6	ChEMBL_2282308	Inhibition of 5-LOX (unknown origin) using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric assay
50018663	7	ChEMBL_2282309	Inhibition of COX-2 (unknown origin) by colorimetric method
50018663	8	ChEMBL_2282311	Inhibition of recombinant human COX-1 using arachidonic acid as substrate by ELISA
50018663	9	ChEMBL_2282312	Inhibition of recombinant human COX-2 using arachidonic acid as substrate by ELISA
50018663	10	ChEMBL_2282313	Inhibition of 5-LOX (unknown origin) by fluorometric analysis
50018663	11	ChEMBL_2282314	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by colorimetric assay
50018663	12	ChEMBL_2282315	Inhibition of 5-LOX (unknown origin) by colorimetric assay
50018663	13	ChEMBL_2282318	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by colorimetric assay
50018663	14	ChEMBL_2282321	Inhibition of human 5-LOX by colorimetric assay
50018663	15	ChEMBL_2282323	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition by colorimetric assay
50018663	16	ChEMBL_2282325	Inhibition of recombinant human COX-2 by enzyme immune assay
50018663	17	ChEMBL_2282327	Inhibition of 5-LOX (unknown origin) by enzyme immune assay
50018663	18	ChEMBL_2282328	Inhibition of COX-1 (unknown origin) by enzyme immune assay
50018663	19	ChEMBL_2282329	Inhibition of COX-2 (unknown origin) by enzyme immune assay
50018663	20	ChEMBL_2282332	Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by ELISA
50018663	21	ChEMBL_2282333	Inhibition of recombinant human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by ELISA
50018663	22	ChEMBL_2282334	Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by Ellman's reagent based ELISA
50018663	23	ChEMBL_2282335	Inhibition of recombinant human 5-LOX using arachidonic acid as substrate incubated for 10 mins by spectrophotometric analysis
50018663	24	ChEMBL_2282336	Inhibition of COX-2 (unknown origin) by 2,7-dichlorofluorescein dye based spectrophotometric method
50018663	25	ChEMBL_2282337	Inhibition of 5-LOX (unknown origin) by spectrophotometric method
50018664	1	ChEMBL_2282339	Competitive inhibition of recombinant human BTK incubated for 10 mins in the presence of ATP by mobility shift assay
50018664	2	ChEMBL_2282340	Irreversible inhibition of BTK (unknown origin)
50018664	3	ChEMBL_2282341	Inhibition of TEC (unknown origin)
50018664	4	ChEMBL_2282342	Inhibition of LCK (unknown origin)
50018664	5	ChEMBL_2282343	Inhibition of LYN (unknown origin)
50018664	6	ChEMBL_2282344	Inhibition of FYN (unknown origin)
50018664	7	ChEMBL_2282345	Reversible inhibition of BTK (unknown origin)
50018664	8	ChEMBL_2282346	Inhibition of FLT3 (unknown origin)
50018664	9	ChEMBL_2282347	Inhibition of SYK (unknown origin)
50018664	10	ChEMBL_2282348	Inhibition of ITK (unknown origin)
50018664	11	ChEMBL_2282351	Inhibition of BTK C481S mutant (unknown origin) in the presence of ATP
50018664	12	ChEMBL_2282352	Inhibition of BRK (unknown origin)
50018664	13	ChEMBL_2282353	Inhibition of YES (unknown origin)
50018664	14	ChEMBL_2282354	Inhibition of BTK (unknown origin)
50018664	15	ChEMBL_2282363	Inhibition of BTK (unknown origin) incubated for 60 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50018664	16	ChEMBL_2282369	Inhibition of BTK (unknown origin) incubated for 40 mins in the presence of ATP by scintillation based radiometric protein kinase assay
50018664	17	ChEMBL_2282383	Inhibition of ABL1 (unknown origin) using GGEAIYAAPFKK as substrate in the presence of ATP
50018664	18	ChEMBL_2282384	Inhibition of BTK (unknown origin) in the presence of ATP
50018664	19	ChEMBL_2282386	Inhibition of BTK (unknown origin) by ELISA
50018664	20	ChEMBL_2282387	Inhibition of wildtype EGFR (unknown origin) by ELISA
50018664	21	ChEMBL_2282388	Inhibition of JAK3 (unknown origin)
50018664	22	ChEMBL_2282389	Inhibition of EGFR (unknown origin)
50018665	1	ChEMBL_2282397	Inhibition of KRAS G12C mutant in human NCI-H358 cells incubated for 6 hrs by LC-MS/MS analysis
50018665	2	ChEMBL_2282398	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 24 hrs by immunoblot analysis
50018665	3	ChEMBL_2282400	Binding affinity to GppNHp-tagged KRAS G12V mutant (unknown origin)
50018665	4	ChEMBL_2282405	Inhibition of GST-tagged HRAS (1 to 166 residues) (unknown origin) assessed as inhibition of mSOS1 mediated nucleotide exchange by [35S]GTPgammaS based liquid scintillation counting method
50018665	5	ChEMBL_2282407	Binding affinity to GDP-bound KRAS G12D mutant (unknown origin) by 1H/15N HSQC spectra analysis
50018666	1	ChEMBL_2282410	Inhibition of human aromatase preincubated with NADPH regenerating system for 10 mins followed by substrate addition by fluorescence based analysis
50018666	2	ChEMBL_2282415	Inhibition of human CA2
50018666	3	ChEMBL_2282423	Inhibition of carbonic anhydrase 9 (unknown origin) using 4-nitrophenylacetate as substrate by UV/visible spectrophotometer analysis
50018666	4	ChEMBL_2282424	Inhibition of recombinant human CA9 using 4-nitrophenylacetate as substrate by esterase assay
50018666	5	ChEMBL_2282425	Inhibition of fluorescent-labeled BID-BH3 peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay
50018666	6	ChEMBL_2282426	Inhibition of fluorescent-labeled BID-BH3 peptide binding to Mcl-1 (unknown origin) by fluorescence polarization assay
50018666	7	ChEMBL_2282432	Inhibition of fluorescent-labeled BID-BH3 peptide binding to Mcl-1 (unknown origin) incubated for 20 mins by fluorescence polarization assay
50018666	8	ChEMBL_2282433	Inhibition of FITC-labeled BID-BH3 peptide binding to Mcl-1 (unknown origin) by fluorescence polarization assay
50018666	9	ChEMBL_2282435	Inhibition of TAMRA-labeled BIM-BH3 peptide binding to 6His-tagged human recombinant Mcl-1 (171 to 327 residues) incubated for 120 mins by fluorescence polarization assay
50018666	10	ChEMBL_2282436	Binding affinity to Mcl-1 (unknown origin)
50018666	11	ChEMBL_2282442	Inhibition of topoisomerase 1 (unknown origin) assessed as relaxation of supercoiled kDNA incubated for 30 mins ethidium bromide staining based UV transilluminator analysis
50018666	12	ChEMBL_2282444	Inhibition of LSD1 (unknown origin) incubated for 30 mins by fluorescence based analysis
50018667	1	ChEMBL_2282477	Binding affinity to EP2 (unknown origin) assessed as inhibition constant
50018667	2	ChEMBL_2282480	Agonist activity at EP3 (unknown origin)
50018667	3	ChEMBL_2282481	Agonist activity at FP receptor (unknown origin)
50018667	4	ChEMBL_2282482	Agonist activity at human EP4 receptor expressed in CHO cells co-transfected with CRE-beta-lactamase reporter gene assessed as increase in intracellular cAMP measured after 3 hrs by TR FRET based assay
50018667	5	ChEMBL_2282483	Displacement of [3H]-PGE2 from human EP4 receptor transfected with HEK293 cells assessed as inhibition constant by radioligand binding assay
50018667	6	ChEMBL_2282485	Inhibition of Rock1 (unknown origin)
50018667	7	ChEMBL_2282486	Inhibition of Rock2 (unknown origin)
50018667	8	ChEMBL_2282487	Inhibition of Rock1 (unknown origin) by Kinase Glo luminescence assay
50018667	9	ChEMBL_2282488	Inhibition of Rock2 (unknown origin) by Kinase Glo luminescence assay
50018667	10	ChEMBL_2282491	Inhibition of Rock2 (unknown origin) assessed as inhibition constant
50018667	11	ChEMBL_2282493	Inhibition of ATX (unknown origin)
50018669	1	ChEMBL_2282495	Inhibition of BRD4 BD1 (unknown origin)
50018669	2	ChEMBL_2282496	Inhibition of BRD4 BD2 (unknown origin)
50018669	3	ChEMBL_2282497	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50018669	4	ChEMBL_2282499	Binding affinity to human BRD4 BD1 assessed as inhibition constant incubated for 1 hr by competitive binding assay
50018669	5	ChEMBL_2282500	Binding affinity to human BRD4 BD2 assessed as inhibition constant incubated for 1 hr by competitive binding assay
50018669	6	ChEMBL_2282502	Inhibition of his 6 tagged BRD4 D1 (unknown origin) expressed in Escherichia coli BL21 (DE3) by fluorescence anisotropy assay
50018669	7	ChEMBL_2282504	Binding affinity to p38 alpha (unknown origin) assessed as dissociation constant by DiscoverX kinomescan method
50018669	8	ChEMBL_2282505	Binding affinity to BRD3 BD1 (unknown origin) by alphascreen assay
50018669	9	ChEMBL_2282506	Binding affinity to BRD3 BD2 (unknown origin) by alphascreen assay
50018669	10	ChEMBL_2282508	Binding affinity to BDR4-BD1 (unknown origin)
50018669	11	ChEMBL_2282509	Binding affinity to BDR4- BD2 (unknown origin)
50018669	12	ChEMBL_2282511	Binding affinity to BDR2-BD1 (unknown origin) by TR-FRET assay
50018669	13	ChEMBL_2282512	Binding affinity to BDR2- BD2 (unknown origin) by TR-FRET assay
50018669	14	ChEMBL_2282514	Binding affinity to BDR4-BD1 (unknown origin) assessed as dissociation constant by TR-FRET assay
50018669	15	ChEMBL_2282515	Binding affinity to BDR4- BD2 (unknown origin) assessed as dissociation constant by TR-FRET assay
50018670	1	ChEMBL_2282648	Inhibition of PARP1 (unknown origin) using [3H]NAD+ as substrate incubated for 15 mins by scintillation counting analysis
50018670	2	ChEMBL_2282650	Inhibition of PIM-1 (unknown origin)
50018670	3	ChEMBL_2282651	Inhibition of EGFR (unknown origin)
50018670	4	ChEMBL_2282652	Inhibition of CDK4/Cyclin D3 (unknown origin)
50018670	5	ChEMBL_2282653	Inhibition of PI3KCG (unknown origin)
50018671	1	ChEMBL_2282705	Inhibition of human recombinant N-terminal His6-tagged eIF4A expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	2	ChEMBL_2282706	Uncompetitive inhibition of human recombinant N-terminal His6-tagged eIF4A expressed in Escherichia coli BL21 CodonPlus cells using varying concentrations of ATP and 250 ug/ml yeast RNA as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 1 to 7 hrs by Malachite green ATPase assay
50018671	3	ChEMBL_2282708	Competitive inhibition of human recombinant N-terminal His6-tagged eIF4A expressed in Escherichia coli BL21 CodonPlus cells using 250 uM ATP and varying concentration of yeast RNA as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured after 1 to 7 hrs by Malachite green ATPase assay
50018671	4	ChEMBL_2282710	Inhibition of human recombinant N-terminal His6-tagged eIF4A R110L mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	5	ChEMBL_2282711	Inhibition of human recombinant N-terminal His6-tagged eIF4A R110M mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	6	ChEMBL_2282712	Inhibition of human recombinant N-terminal His6-tagged eIF4A R110E mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	7	ChEMBL_2282713	Inhibition of human recombinant N-terminal His6-tagged eIF4A T158A mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	8	ChEMBL_2282714	Inhibition of human recombinant N-terminal His6-tagged eIF4A T158V mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	9	ChEMBL_2282715	Inhibition of human recombinant N-terminal His6-tagged eIF4A R311K mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	10	ChEMBL_2282716	Inhibition of human recombinant N-terminal His6-tagged eIF4A R311E mutant expressed in Escherichia coli BL21 CodonPlus cells using ATP and yeast RNA as substrate preincubated with enzyme for 20 mins followed by susbtrate addition and measured after 4 hrs by Malachite green ATPase assay
50018671	11	ChEMBL_2282728	Displacement of FAM-A-[CAA]5 from human recombinant N-terminal His6-tagged eIF4A expressed in Escherichia coli BL21 CodonPlus cells preincubated with enzyme for 20 mins followed by FAM-A[CAA]5 addition for 30 mins by fluorescence polarization assay
50018671	12	ChEMBL_2282733	Inhibition of helicase activity of human recombinant N-terminal His6-tagged eIF4A expressed in Escherichia coli BL21 CodonPlus cells using Cy3-labeled RNA strand and unlabeled DNA strand by native PAGE analysis
50018672	1	ChEMBL_2282735	Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 cells assessed as reduction in ADP production preincubated for 20 mins followed by substrate addition and measured after 60 mins using Dic8-PI5P as substrate in presence of 10 uM ATP by ADP-Glo luminescent assay
50018672	2	ChEMBL_2282736	Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 assessed as reduction in PI4,5P2 production preincubated for 20 mins followed by substrate addition and measured after 60 mins using Dic8-PI5P as substrate in presence of 10 uM ATP by HTRF assay
50018672	3	ChEMBL_2282737	Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 cells assessed as reduction in ADP production preincubated for 20 mins followed by substrate addition and measured after 60 mins using Dic8-PI5P as substrate in presence of 250 uM ATP by ADP-Glo luminescent assay
50018672	4	ChEMBL_2282738	Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 assessed as reduction in PI4,5P2 production preincubated for 20 mins followed by substrate addition and measured after 60 mins using Dic8-PI5P as substrate in presence of 2 mM ATP by HTRF assay
50018672	5	ChEMBL_2282739	Inhibition of human PIP4K2A in human THP-1 cells assessed as increase in Akt phosphorylation at Ser473 residue incubated for 2 hrs by HTRF assay
50018672	6	ChEMBL_2282749	Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expressed in sf21 cells assessed as reduction in ADP production preincubated for 20 mins followed by substrate addition and measured after 60 mins using Dic8-PI5P as substrate in presence of 20 uM ATP by ADP-Glo luminescent assay
50018672	7	ChEMBL_2282755	Inhibition of human ERG mediated tail current in HEK293 cells at 10 uM and measured after 5 to 6 mins at -80 mV holding potential by whole cell patch clamp assay
50018672	8	ChEMBL_2282758	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50018672	9	ChEMBL_2282759	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50018672	10	ChEMBL_2282760	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50018672	11	ChEMBL_2282761	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50018672	12	ChEMBL_2282762	Inhibition of CYP3A4 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50018672	13	ChEMBL_2282763	Inhibition of CYP3A4 in human liver microsomes preincubated with compound followed by substrate addition using dextromethorphan as substrate by LC-MS/MS analysis
50018672	14	ChEMBL_2282764	Binding affinity to human PIP4K2A in human THP-1 cell lysate assessed as thermal stability by measuring shift in temperature incubated for 30 mins at 60 degreeC by CETSA assay
50018672	15	ChEMBL_2282765	Binding affinity to human PIP4K2A in human THP-1 intact cells sessed as thermal stability by measuring shift in temperature incubated for 30 mins at 56 degreeC by CETSA assay
50018672	16	ChEMBL_2282770	Inhibition of human PIP4K2A in human THP-1 cells assessed as increase in mitochondrial ROS level incubated for 1 hrs by MitoSOX Red based flow cytometry
50018675	1	ChEMBL_2282777	Inhibition of METTL3 (unknown origin)
50018675	2	ChEMBL_2282782	Inhibition of METTL3 in human MOLM-13 cells assessed as reduction in m6A methylation level
50018675	3	ChEMBL_2282783	Binding affinity to METTL3 (unknown origin) by SPR method
50018677	1	ChEMBL_2282785	Inhibition of FGFR3 (unknown origin)
50018678	1	ChEMBL_2282787	Inhibition of human recombinant COX-2 by enzyme immunoassay
50018678	2	ChEMBL_2282789	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate incubated for 1 min by absorbance based analysis
50018678	3	ChEMBL_2282790	Inhibition of recombinant human COX-2 by colorimetric enzyme immunoassay
50018678	4	ChEMBL_2282793	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50018678	5	ChEMBL_2282794	Inhibition of 5-LOX (unknown origin) using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by absorbance based analysis
50018678	6	ChEMBL_2282796	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate incubated for 5 to 10 mins by fluorometric analysis
50018678	7	ChEMBL_2282797	Inhibition of recombinant human COX-2 by enzyme immunoassay
50018678	8	ChEMBL_2282799	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50018678	9	ChEMBL_2282800	Inhibition of bovine serum albumin denaturation incubated for 15 mins
50018678	10	ChEMBL_2282803	Inhibition of COX-2 (unknown origin) by colorimetric assay
50018678	11	ChEMBL_2282805	Inhibition of human COX-2 using arachidonic acid as substrate incubated for 30 secs by ELISA
50018678	12	ChEMBL_2282807	Inhibition of COX-2 (unknown origin)
50018678	13	ChEMBL_2282808	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by microplate reader analysis
50018678	14	ChEMBL_2282809	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by absorbance based analysis
50018678	15	ChEMBL_2282810	Inhibition of DHFR (unknown origin)
50018678	16	ChEMBL_2282811	Inhibition of human recombinant COX-2
50018678	17	ChEMBL_2282812	Inhibition of 15-LOX (unknown origin)
50018678	18	ChEMBL_2282820	Inhibition of EGFR (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50018678	19	ChEMBL_2282821	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetric assay
50018678	20	ChEMBL_2282822	Inhibition of ovine COX-2 colorimetric enzyme immunoassay
50018678	21	ChEMBL_2282824	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric method
50018678	22	ChEMBL_2282825	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 30 secs by ELISA
50018678	23	ChEMBL_2282826	Inhibition of 5-LOX (unknown origin)
50018678	24	ChEMBL_2282827	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by spectrophotometer based analysis
50018680	1	ChEMBL_2282942	Inhibition of Escherichia coli DNA gyrase
50018680	2	ChEMBL_2283007	Inhibition of Saccharomyces cerevisiae alpha-glucosidase preincubated for 5 mins followed by PNP-GLUC substrate addition and measured after 20 mins by spectroscopic analysis
50018680	3	ChEMBL_2283010	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as decrease in release of p-nitrophenol using pNPG as substrate incubated for 10 mins by spectroscopic analysis
50018680	4	ChEMBL_2283011	Inhibition of mouse alpha-glucosidase assessed as decrease in release of p-nitrophenol using pNPG as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectroscopic analysis
50018680	5	ChEMBL_2283012	Agonist activity at FFA2 (unknown origin) expressed in human Flp-In-293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by Lance cAMP assay
50018680	6	ChEMBL_2283013	Agonist activity at FFA3 (unknown origin) expressed in human Flp-In-293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by Lance cAMP assay
50018680	7	ChEMBL_2283014	Agonist activity at human HCA2 expressed in human Flp-In-293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation incubated for 30 mins by Lance cAMP assay
50018680	8	ChEMBL_2283028	Inhibition of PARP1 (unknown origin) incubated for 1 hrs by colorimetric analysis
50018680	9	ChEMBL_2283034	Inhibition of DNA topoisomerase 2 (unknown origin)
50018680	10	ChEMBL_2283052	Inhibition of recombinant human SIRT1 expressed in Escherichia coli using Fluor de Lys-SIRT1/2 substrate in presence of NAD+ by fluorescence microplate reader analysis
50018680	11	ChEMBL_2283053	Inhibition of recombinant human SIRT2 expressed in Escherichia coli using Fluor de Lys-SIRT1/2 substrate in presence of NAD+ by fluorescence microplate reader analysis
50018680	12	ChEMBL_2283055	Induction of bovine serum albumin denaturation incubated for 23 mins by UV-Visible spectrophotometry
50018680	13	ChEMBL_2283056	Inhibition of sheep COX-2 by Cayman colorimetric analysis
50018680	14	ChEMBL_2283057	Inhibition of 5-LOX (unknown origin) by colorimetric analysis
50018680	15	ChEMBL_2283071	Inhibition of jack bean urease by phenol red method
50018681	1	ChEMBL_2283079	Binding affinity to BRD4 BD1 in human Burkitts lymphoma cells assessed as dissociation constant
50018681	2	ChEMBL_2283080	Binding affinity to CRBN in human Burkitts lymphoma cells assessed as dissociation constant
50018681	3	ChEMBL_2283085	Binding affinity to BRD4 bromodomain 1 in human Ramos cells
50018681	4	ChEMBL_2283096	Binding affinity to BRD2 (unknown origin) assessed as dissociation constant
50018681	5	ChEMBL_2283097	Binding affinity to BRD3 (unknown origin) assessed as dissociation constant
50018681	6	ChEMBL_2283098	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant
50018681	7	ChEMBL_2283116	Activation of caspase 3/7 in human 22Rv1 cells by Caspase-Glo reagent based analysis
50018681	8	ChEMBL_2283117	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50018681	9	ChEMBL_2283118	Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50018681	10	ChEMBL_2283119	Binding affinity to VHL (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50018681	11	ChEMBL_2283137	Induction of BRD4 degradation in human 231MFP cells
50018681	12	ChEMBL_2283138	Inhibition of RNF114 (unknown origin)
50018681	13	ChEMBL_2283142	Inhibition of FNIP1 in human HEK293T cells
50018682	1	ChEMBL_2283159	Inhibition of human recombinant FGFR1 in the presence of ATP at 0.16 uM measured after 1 hr by fluorescence based assay
50018682	2	ChEMBL_2283160	Inhibition of human recombinant FGFR2 in the presence of ATP at 0.8 uM measured after 1 hr by fluorescence based assay
50018682	3	ChEMBL_2283161	Inhibition of human recombinant FGFR3 in the presence of ATP at 0.8 uM measured after 1 hr by fluorescence based assay
50018682	4	ChEMBL_2283162	Inhibition of human recombinant FGFR4 in the presence of ATP at 0.8 uM measured after 1 hr by fluorescence based assay
50018682	5	ChEMBL_2283168	Inhibition of human recombinant FGFR1 expressed in Escherichia coli BL21 DE3 assessed as inhibition by western blot analysis
50018682	6	ChEMBL_2283169	Inhibition of human recombinant FGFR2 expressed in Escherichia coli BL21 DE3 assessed as inhibition by western blot analysis
50018682	7	ChEMBL_2283170	Inhibition of human recombinant FGFR3 expressed in Escherichia coli BL21 DE3 assessed as inhibition by western blot analysis
50018682	8	ChEMBL_2283171	Inhibition of human recombinant FGFR4 expressed in Escherichia coli BL21 DE3 assessed as inhibition by western blot analysis
50018682	9	ChEMBL_2283172	Inhibition of recombinant wild type FGFR2 (unknown origin)
50018682	10	ChEMBL_2283173	Inhibition of human FGFR1
50018682	11	ChEMBL_2283181	Inhibition of human recombinant FGFR1
50018682	12	ChEMBL_2283182	Inhibition of human recombinant FGFR2
50018682	13	ChEMBL_2283183	Inhibition of human recombinant FGFR3
50018682	14	ChEMBL_2283184	Inhibition of human recombinant FGFR4
50018682	15	ChEMBL_2283190	Inhibition of wild type EGFR (unknown origin)
50018682	16	ChEMBL_2283191	Inhibition of HER2 (unknown origin)
50018682	17	ChEMBL_2283192	Inhibition of EGFR (unknown origin)
50018682	18	ChEMBL_2283193	Inhibition of JAK3 (unknown origin)
50018682	19	ChEMBL_2283194	Inhibition of HER4 (unknown origin)
50018682	20	ChEMBL_2283195	Inhibition of HER3 (unknown origin)
50018682	21	ChEMBL_2283196	Inhibition of EGFR T790M/C797S mutant (unknown origin)
50018682	22	ChEMBL_2283197	Inhibition of EGFR L858R T790M/C797S mutant (unknown origin)
50018682	23	ChEMBL_2283198	Inhibition of EGFR L858R mutant (unknown origin)
50018682	24	ChEMBL_2283199	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50018682	25	ChEMBL_2283201	Inhibition of human recombinant IGF-1R assessed as inhibition in the presence of ATP at 100 uM/l by ELISA method
50018682	26	ChEMBL_2283207	Inhibition of human recombinant IGF-1R N-terminal His-tagged (950 to 1337 residues) expressed in baculovirus infected Sf21 measured after 20 mins by western blot analysis
50018682	27	ChEMBL_2283209	Inhibition of IGF-1R (unknown origin)
50018682	28	ChEMBL_2283211	Inhibition of recombinant BTK (unknown origin)
50018682	29	ChEMBL_2283212	Inhibition of BTK (unknown origin)
50018682	30	ChEMBL_2283213	Inhibition of BTK (unknown origin) in the presence of ATP measured after 40 mins by radiometry analysis
50018682	31	ChEMBL_2283218	Inhibition of TEC (unknown origin)
50018682	32	ChEMBL_2283219	Inhibition of BMX (unknown origin)
50018682	33	ChEMBL_2283220	Inhibition of wild type BTK (unknown origin) in presence of 1 uM ATP by microplate reader assay
50018682	34	ChEMBL_2283224	Inhibition of LCK (unknown origin)
50018682	35	ChEMBL_2283225	Inhibition of FYN (unknown origin)
50018682	36	ChEMBL_2283226	Inhibition of recombinant GST-tagged RET (unknown origin) using EAIYAAPFKKK as substrate in the presence of ATP of 100 uM by western blot analysis
50018682	37	ChEMBL_2283227	Binding affinity to LCK (unknown origin) assessed as inhibition constant
50018682	38	ChEMBL_2283228	Binding affinity to LCK (unknown origin) assessed as dissociation constant
50018682	39	ChEMBL_2283229	Binding affinity to FGR (unknown origin) assessed as dissociation constant
50018682	40	ChEMBL_2283230	Binding affinity to YES (unknown origin) assessed as dissociation constant
50018682	41	ChEMBL_2283231	Inhibition of Src kinase (unknown origin) phosphorylation at Tyr416/419 residues incubated for 24 hrs by Western blot analysis
50018682	42	ChEMBL_2283232	Inhibition of human recombinant His-tagged EGFR expressed in baculovirus using poly-Gluo-Tyr as a substrate measured after 24 hrs by western blot analysis
50018682	43	ChEMBL_2283233	Inhibition of His-tagged LCK (62 to 509 residues) (unknown origin) expressed in Sf9 insect cells at 10 uM using poly (Glu, Tyr) 4:1 as substrate incubated for 1 hr by spectrometric analysis
50018682	44	ChEMBL_2283234	Inhibition of LYN (unknown origin)
50018682	45	ChEMBL_2283235	Inhibition of YES (unknown origin)
50018682	46	ChEMBL_2283236	Inhibition of LYN (unknown origin) at 1 uM by kinase-profiling analysis
50018682	47	ChEMBL_2283237	Inhibition of Abl (unknown origin) incubated for 1 hr by ADP-Glo assay
50018682	48	ChEMBL_2283238	Inhibition of FGFR3 (unknown origin)
50018682	49	ChEMBL_2283239	Inhibition of VEGFR2 (unknown origin)
50018682	50	ChEMBL_2283241	Binding affinity to PI3Kalpha (unknown origin) assessed as dissociation constant
50018682	51	ChEMBL_2283242	Binding affinity to PI3Kbeta (unknown origin) assessed as dissociation constant
50018682	52	ChEMBL_2283243	Binding affinity to PI3Kgamma (unknown origin) assessed as dissociation constant
50018682	53	ChEMBL_2283244	Binding affinity to PI3Kdelta (unknown origin) assessed as dissociation constant
50018682	54	ChEMBL_2283245	Inhibition of PI3Kdelta (unknown origin) at 1 uM
50018683	1	ChEMBL_2283256	Inhibition of human MAO-B
50018683	2	ChEMBL_2283261	Inhibition of Electrophorus electricus AChE
50018683	3	ChEMBL_2283266	Inhibition of MMP-3 (unknown origin) by fluorescence based assay
50018683	4	ChEMBL_2283267	Inhibition of MMP-3 (unknown origin) by Colorimetric assay
50018683	5	ChEMBL_2283268	Inhibition of human MMP-1
50018683	6	ChEMBL_2283269	Inhibition of human MMP-7
50018683	7	ChEMBL_2283270	Inhibition of human MMP-9
50018683	8	ChEMBL_2283271	Inhibition of human MMP-13
50018683	9	ChEMBL_2283272	Inhibition of human MMP-8
50018683	10	ChEMBL_2283273	Inhibition of human MMP-12
50018683	11	ChEMBL_2283274	Inhibition of human MMP-3
50018683	12	ChEMBL_2283287	Inhibition of MMP-2 (unknown origin)
50018683	13	ChEMBL_2283288	Inhibition of MMP-3 (unknown origin)
50018683	14	ChEMBL_2283289	Inhibition of MMP-9 (unknown origin)
50018683	15	ChEMBL_2283290	Inhibition of anthrax lethal factor
50018684	1	ChEMBL_2283301	Inhibition of ovine COX-1
50018684	2	ChEMBL_2283302	Inhibition of ovine COX-2
50018684	3	ChEMBL_2283304	Inhibition of recombinant human sPLA2-V
50018684	4	ChEMBL_2283359	Antagonist activity at androgen receptor (unknown origin)
50018684	5	ChEMBL_2283364	Inhibition of CDK1 (unknown origin)
50018684	6	ChEMBL_2283369	Binding affinity to GABAA alpha1 (unknown origin)
50018685	1	ChEMBL_2283405	Inhibition of human SOAT1
50018685	2	ChEMBL_2283406	Inhibition of human SOAT2
50018685	3	ChEMBL_2283422	Inhibition of human SOAT1 expressed in mouse AC29 cells
50018685	4	ChEMBL_2283423	Inhibition of human SOAT2 expressed in mouse AC29 cells
50018685	5	ChEMBL_2283447	Inhibition of SOAT1 (unknown origin) expressed in CHO cells using [1-14C]oleic acid as substrate measured after 6 hrs
50018685	6	ChEMBL_2283448	Inhibition of SOAT2 (unknown origin) expressed in CHO cells using [1-14C]oleic acid as substrate measured after 6 hrs
50018685	7	ChEMBL_2283455	Inhibition of african green monkey SOAT1 expressed in CHO cells assessed as reduction cholesteryl ester synthesis
50018685	8	ChEMBL_2283456	Inhibition of african green monkey SAOT2 in CHO cells assessed as reduction cholesteryl ester synthesis
50018685	9	ChEMBL_2283459	Inhibition of SOAT1 (unknown origin)
50018685	10	ChEMBL_2283460	Inhibition of SOAT2 (unknown origin)
50018685	11	ChEMBL_2283463	Inhibition of SOAT1 (unknown origin) expressed in CHO cells using [14C]oleic acid incubated for 6 hrs
50018685	12	ChEMBL_2283464	Inhibition of SOAT2 (unknown origin) expressed in CHO cells using [14C]oleic acid incubated for 6 hrs
50018686	1	ChEMBL_2283470	Inhibition of EGFR (unknown origin)
50018686	2	ChEMBL_2283479	Inhibition of c-ErbB-2 (unknown origin)
50018686	3	ChEMBL_2283480	Inhibition of CDK4 (unknown origin)
50018686	4	ChEMBL_2283494	Displacement of [125I]-VIP from Vasoactive intestinal peptide (unknown origin) incubated for 120 mins by gamma scintillation counter analysis
50018686	5	ChEMBL_2283496	Inhibition of CDK5/p25 (unknown origin)
50018686	6	ChEMBL_2283497	Inhibition of GSK3beta (unknown origin)
50018686	7	ChEMBL_2283514	Inhibition of Cbl-b (unknown origin) assessed as inhibition of Cbl-b dependent ubiquitination in presence of ATP measured after 13 hrs by fluorescence microplate reader assay
50018686	8	ChEMBL_2283519	Inhibition of MMP-2 (unknown origin) using succinylated gelatin as substrate incubated for 80 mins by microplate reader
50018687	1	ChEMBL_2283559	Competitive inhibition of recombinant human lysosomal alpha-glucosidase assessed as inhibition constant by Lineweaver-Burk plot analysis
50018688	1	ChEMBL_2283603	Positive allosteric modulator activity at GluN2A NMDA receptor (unknown origin) expressed in CHO cells co-expressing GluN1a in the presence of L-glutamate and glycine by Ca2+ influx assay
50018688	2	ChEMBL_2283605	Displacement of [3H]-HBT1 from His-tagged GluA2-AMPA receptor LBD (unknown origin) in presence of glutamate by scintillation proximity assay
50018688	3	ChEMBL_2283608	Positive allosteric modulator activity at GluN2B NMDA receptor (unknown origin) expressed in CHO cells co-expressing GluN1a in the presence of L-glutamate and glycine by Ca2+ influx assay
50018688	4	ChEMBL_2283610	Positive allosteric modulator activity at GluN2C NMDA receptor (unknown origin) expressed in CHO cells co-expressing GluN1a in the presence of L-glutamate and glycine by Ca2+ influx assay
50018688	5	ChEMBL_2283612	Positive allosteric modulator activity at GluN2D NMDA receptor (unknown origin) expressed in CHO cells co-expressing GluN1a in the presence of L-glutamate and glycine by Ca2+ influx assay
50018689	2	ChEMBL_2283680	Antagonist activity at OX1R (unknown origin)
50018689	3	ChEMBL_2283681	Antagonist activity at OX2R (unknown origin)
50018690	1	ChEMBL_2283729	Inhibition of DDR2 (unknown origin) assessed as inhibition of DDR2 interaction with DNA-bound ligand by qPCR analysis
50018692	1	ChEMBL_2283777	Inhibition of CDK2/cyclin E (unknown origin) assessed as inhibition constant
50018692	2	ChEMBL_2283778	Inhibition of CDK1/Cyclin B (unknown origin) assessed as inhibition constant
50018692	3	ChEMBL_2283779	Inhibition of CDK2/cyclin A (unknown origin) assessed as inhibition constant
50018692	4	ChEMBL_2283782	Inhibition of CDK9/cyclin T1 (unknown origin) assessed as inhibition constant
50018692	5	ChEMBL_2283783	Inhibition of CDK1/Cyclin B (unknown origin) assessed as inhibition constant incubated for 30 to 60 mins presence of dithiothreitol by Cheng-Prusoff equation analysis
50018692	6	ChEMBL_2283785	Inhibition of CDK2/cyclin E (unknown origin) assessed as inhibition constant incubated for 30 to 60 mins presence of dithiothreitol by Cheng-Prusoff equation analysis
50018692	7	ChEMBL_2283787	Inhibition of CDK5/p25 (unknown origin) assessed as inhibition constant incubated for 30 to 60 mins presence of dithiothreitol by Cheng-Prusoff equation analysis
50018692	8	ChEMBL_2283789	Inhibition of CDK9/cyclin T1 (unknown origin) assessed as inhibition constant incubated for 30 to 60 mins presence of dithiothreitol by Cheng-Prusoff equation analysis
50018693	1	ChEMBL_2283833	Inhibition of PI3Kdelta (unknown origin) by ADP Glo luminescent assay
50018693	2	ChEMBL_2283834	Inhibition of PI3Kalpha (unknown origin)
50018693	3	ChEMBL_2283835	Inhibition of PI3Kbeta (unknown origin)
50018693	4	ChEMBL_2283836	Inhibition of PI3Kgamma (unknown origin)
50018694	1	ChEMBL_2283864	Inhibition of human Chitotriosidase using MU-(GlcNAc)2 as substrate incubated for 30 mins by microplate reader analysis
50018694	2	ChEMBL_2283865	Inhibition of Serratia marcescens chitinase B using MU-(GlcNAc)2 as substrate incubated for 30 mins by microplate reader analysis
50018695	1	ChEMBL_2283872	Inhibition of MALT1 (unknown origin)
50018696	1	ChEMBL_2283920	Inhibition of C-terminal 6-His tagged recombinant human IL4I1 (Gln22 to His567 residues) expressed in CHO cells using Phe/Tyr/Trp as substrate assessed as inhibition of H2O2 production measured after 240 mins by Amplex red and horseradish peroxidase based fluorescence assay
50018699	1	ChEMBL_2283953	Binding affinity to human albumin by fluorescence polarization assay
50018699	2	ChEMBL_2283954	Binding affinity to rat albumin by fluorescence polarization assay
50018699	3	ChEMBL_2283955	Binding affinity to rabbit albumin by fluorescence polarization assay
50018699	4	ChEMBL_2283957	Binding affinity to human serum albumin by fluorescence polarization assay
50018699	5	ChEMBL_2283958	Binding affinity to human albumin
50018699	6	ChEMBL_2283959	Binding affinity to mouse albumin
50018699	7	ChEMBL_2283961	Binding affinity to human albumin assessed as dissociation constant
50018699	8	ChEMBL_2283963	Binding affinity to human albumin assessed as dissociation constant by fluorescence polarization assay
50018699	9	ChEMBL_2283964	Binding affinity to mouse albumin assessed as dissociation constant by fluorescence polarization assay
50018699	10	ChEMBL_2283965	Binding affinity to human albumin assessed as dissociation constant by ITC method
50018699	11	ChEMBL_2283966	Binding affinity to human albumin assessed as dissociation constant by surface plasmon resonance assay
50018699	12	ChEMBL_2283967	Binding affinity to rat albumin assessed as dissociation constant by surface plasmon resonance assay
50018699	13	ChEMBL_2283968	Binding affinity to rabbit albumin assessed as dissociation constant by surface plasmon resonance assay
50018699	14	ChEMBL_2283969	Binding affinity to mouse albumin assessed as dissociation constant by surface plasmon resonance assay
50018699	15	ChEMBL_2283973	Binding affinity to rat albumin assessed as dissociation constant
50018700	1	ChEMBL_2283976	Agonist activity at human TLR7 expressed in HEK293 cells assessed as activation of NFkappaB incubated for 18 to 24 hrs by SEAP reporter gene based assay
50018700	2	ChEMBL_2283977	Agonist activity at human TLR8 expressed in HEK293 cells assessed as activation of NFkappaB incubated for 18 to 24 hrs by SEAP reporter gene based assay
50018700	3	ChEMBL_2283979	Agonist activity at human TLR7 transfected in HEK293 cells assessed as induction of SEAP production incubated overnight by SEAP reporter gene based assay
50018700	4	ChEMBL_2283980	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells assessed as activation of NFkappaB by SEAP reporter gene based spectrophotometry assay
50018700	5	ChEMBL_2283981	Agonist activity at human TLR8 in HEK-Blue hTLR8 cells assessed as activation of NFkappaB by SEAP reporter gene based spectrophotometry assay
50018700	6	ChEMBL_2283982	Agonist activity at TLR8 (unknown origin)
50018700	7	ChEMBL_2283983	Agonist activity at human TLR8 (27 to 287 residues) in HEK-Blue hTLR8 cells assessed as induction of NFkappaB by SEAP reporter gene based spectrophotometry assay
50018700	8	ChEMBL_2283990	Agonist activity at TLR7 (unknown origin)
50018700	9	ChEMBL_2283991	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells incubated for 24 hrs by quanti-blue reagent based analysis
50018700	10	ChEMBL_2283992	Agonist activity at human TLR8 in HEK-Blue hTLR8 cells incubated for 24 hrs by quanti-blue reagent based analysis
50018700	11	ChEMBL_2283994	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells incubated for 18 hrs by quanti-blue reagent based analysis
50018701	1	ChEMBL_2284012	Inhibition of 5-LOX in indomethacin stimulated rat PMNL cells assessed as reduction in 5-LO product level incubated for 3 mins by scintillation counting method
50018701	2	ChEMBL_2284015	Displacement of [125I]-L-691831 from FLAP in human Leucocyte membrane incubated for 20 mins by radioactivity based gamma-scintillation counter assay
50018701	3	ChEMBL_2284016	Inhibition of 5-LOX in human PMNL cells assessed as inhibition of LTB4 formation preincubated for 5 mins followed by calcium ionophore A23187 addition and measured after 6 min by HPLC analysis
50018701	4	ChEMBL_2284017	Inhibition of 5-LOX in human whole blood assessed as inhibition of LTB4 formation preincubated for 10 mins followed by calcium ionophore A23187 addition and measured after 30 min by RIA/RP--HPLC analysis
50018701	5	ChEMBL_2284022	Inhibition of FLAP in human Leucocyte membrane incubated for 20 mins by radioactivity based gamma-scintillation counter assay
50018701	6	ChEMBL_2284023	Inhibition of FLAP in human whole blood assessed as reduction in LTB4 level preincubated for 15 mins followed by calcium ionophore A23187 addition and measured after 30 min
50018701	7	ChEMBL_2284024	Inhibition of FLAP in human neutrophil assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation using arachidonic acid as substrate preincubated with enzyme for 15 mins followed by substrate addition and A23187 measured after 10 mins by ELISA assay
50018701	8	ChEMBL_2284025	Inhibition of FLAP in human monocyte assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated with enzyme for 15 mins followed by A23187 addition and measured after 10 mins by ELISA assay
50018701	9	ChEMBL_2284026	Inhibition of FLAP in human whole blood assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated with enzyme for 15 mins followed by fMLP addition and measured after 15 mins by HPLC analysis
50018701	10	ChEMBL_2284027	Inhibition of FLAP in human whole blood assessed as reduction of LTB4 formation preincubated with enzyme for 15 mins followed by calcimycin addition and measured after 30 mins by HTRF assay
50018701	11	ChEMBL_2284028	Displacement of [125I]-L-691831 from recombinant human FLAP expressed in Sf9 insect cells incubated for 2 hr by scintillation proximity assay
50018701	12	ChEMBL_2284029	Inhibition of N-terminal His6-tagged human FLAP expressed in Sf9 insect cells assessed as inhibition constant incubated for 2 hr by HTRF assay
50018701	13	ChEMBL_2284030	Inhibition of FLAP in human whole blood assessed as reduction of LTB4 formation preincubated with enzyme for 15 mins followed by calcium ionophore A23187 addition and measured after 30 mins
50018701	14	ChEMBL_2284031	Inhibition of recombinant human 5-LO expressed in Escherichia coli JM109 using arachidonic acid as substrate incubated for 10 mins by HPLC analysis
50018701	15	ChEMBL_2284032	Inhibition of FLAP in human PMNL cells assessed as inhibition of 5-LO product LT formation preincubated for 15 mins followed by calcium ionophore A23187 addition and measured after 10 min by HPLC analysis
50018701	16	ChEMBL_2284033	Inhibition of FLAP in human PMNL cells assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated with enzyme for 15 mins followed by Ca2+ ionophore-A23187 and measured after 10 mins by HPLC analysis
50018701	17	ChEMBL_2284034	Inhibition of FLAP in human monocyte assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated with enzyme for 15 mins followed by Ca2+ ionophore-A23187 and measured after 10 mins by HPLC analysis
50018701	18	ChEMBL_2284035	Inhibition of mPGES-1 activity in IL-1beta human A549 microsome using PGH2 as substrate preincubated for 15 mins followed by substrate addition for 1 min by RP-HPLC analysis
50018703	1	ChEMBL_2284045	Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50018703	2	ChEMBL_2284046	Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50018703	3	ChEMBL_2284047	Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate incubated for 1 hr by ELISA
50018703	4	ChEMBL_2284053	Inhibition of ABL (unknown origin)
50018703	5	ChEMBL_2284054	Inhibition of BTK (unknown origin)
50018703	6	ChEMBL_2284055	Inhibition of CSK (unknown origin)
50018703	7	ChEMBL_2284056	Inhibition of EGFR (unknown origin)
50018703	8	ChEMBL_2284057	Inhibition of EphA2 (unknown origin)
50018703	9	ChEMBL_2284058	Inhibition of FAK (unknown origin)
50018703	10	ChEMBL_2284059	Inhibition of IGF1R (unknown origin)
50018703	11	ChEMBL_2284060	Inhibition of ITK (unknown origin)
50018703	12	ChEMBL_2284062	Inhibition of SRC (unknown origin)
50018703	13	ChEMBL_2284065	Inhibition of TIE2 (unknown origin)
50018703	14	ChEMBL_2284066	Inhibition of TRKA (unknown origin)
50018703	15	ChEMBL_2284068	Inhibition of ZAP70 (unknown origin)
50018703	16	ChEMBL_2284069	Inhibition of AKT1 (unknown origin)
50018703	17	ChEMBL_2284071	Inhibition of AURC (unknown origin)
50018703	18	ChEMBL_2284073	Inhibition of BMPR1A (unknown origin)
50018703	19	ChEMBL_2284074	Inhibition of CAMK2alpha (unknown origin)
50018703	20	ChEMBL_2284076	Inhibition of CDK2 (unknown origin)
50018703	21	ChEMBL_2284078	Inhibition of CHK1 (unknown origin)
50018703	22	ChEMBL_2284080	Inhibition of CHKdelta (unknown origin)
50018703	23	ChEMBL_2284081	Inhibition of GSK3beta (unknown origin)
50018703	24	ChEMBL_2284083	Inhibition of IKKB (unknown origin)
50018703	25	ChEMBL_2284084	Inhibition of JNK1 (unknown origin)
50018703	26	ChEMBL_2284086	Inhibition of MAP2K1 (unknown origin)
50018703	27	ChEMBL_2284088	Inhibition of MAP3K1 (unknown origin)
50018703	28	ChEMBL_2284089	Inhibition of MAPKAPK2 (unknown origin)
50018703	29	ChEMBL_2284090	Inhibition of P38beta (unknown origin)
50018703	30	ChEMBL_2284091	Inhibition of p70S6K (unknown origin)
50018703	31	ChEMBL_2284094	Inhibition of RAF1 (unknown origin)
50018704	1	ChEMBL_2284099	Binding affinity to human V1a assessed as inhibition constant
50018704	2	ChEMBL_2284100	Inhibition of human Nav 1.7 channel expressed in HEK293 cells at -10 mV holding potential by whole cell voltage clamp electrophysiology assay
50018704	3	ChEMBL_2284101	Binding affinity to human recombinant ALK L1196M mutant (1093 to 1411 residues) assessed as inhibition constant using 5'FAM-KKSRGDYMTMQIG-CONH2 peptide as substrate in presence of ATP by micro-fluidic mobility shift assay
50018707	1	ChEMBL_2284106	Inhibition of CDK1/Cyclin B (unknown origin) in presence of ATP by scintillation counter analysis
50018707	2	ChEMBL_2284135	Inhibition of human COX-2
50018708	1	ChEMBL_2284150	Inhibition of MAO-B (unknown origin)
50018708	2	ChEMBL_2284151	Competitive inhibition of human MAO-A
50018708	3	ChEMBL_2284152	Irreversible inhibition of human recombinant MAO-A
50018708	4	ChEMBL_2284153	Irreversible inhibition of human recombinant MAO-B
50018708	5	ChEMBL_2284154	Inhibition of human recombinant MAO-A
50018708	6	ChEMBL_2284155	Competitive inhibition of human MAO-B
50018708	7	ChEMBL_2284156	Competitive inhibition of rat MAO-B
50018708	8	ChEMBL_2284157	Inhibition of MAO-A (unknown origin)
50018708	9	ChEMBL_2284158	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by spectrophotometry analysis
50018708	10	ChEMBL_2284159	Inhibition of human MAO-B
50018708	11	ChEMBL_2284160	Inhibition of AChE (unknown origin) using acetylthiocholine chloride as substrate incubated for 5 mins by DTNB reagent based Ellman's method
50018708	12	ChEMBL_2284161	Inhibition of rat brain MAO-B
50018708	13	ChEMBL_2284163	Inhibition of rat MAO-A
50018708	14	ChEMBL_2284164	Inhibition of human MAO-A using tyramine hydrochloride as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by microplate reader method
50018708	15	ChEMBL_2284165	Inhibition of MAO-A (unknown origin) incubated for 60 mins by fluorometric spectrophotometry analysis
50018708	16	ChEMBL_2284167	Reversible inhibition of human MAO-B
50018709	1	ChEMBL_2284201	Binding affinity to Mycobacterium tuberculosis InhA
50018709	2	ChEMBL_2284206	Inhibition of Mycobacterium tuberculosis InhA
50018710	1	ChEMBL_2284221	Agonist activity at human GPR40 expressed in HEK293 cells incubated for 18 to 24 hrs by HTRF assay
50018710	2	ChEMBL_2284222	Agonist activity at human GPR120 expressed in CHO cells assessed as intracellular phosphorylated ERK incubated for 16 to 18 hrs by AlphaScreen SureFire assay
50018710	3	ChEMBL_2284224	Inhibition of PTP1B (unknown origin)
50018710	4	ChEMBL_2284225	Inhibition of TC-PTP (unknown origin)
50018710	5	ChEMBL_2284227	Inhibition of TC-PTP (unknown origin) using pNPP as substrate incubated for 5 mins by absorbance based analysis
50018710	6	ChEMBL_2284229	Inhibition of PTP1B (unknown origin) using pNPP as substrate for 2 mins by spectroscopic analysis
50018710	7	ChEMBL_2284230	Competitive inhibition of PTP1B (unknown origin) assessed as inhibition constant using pNPP as substrate by Michaelis-Menten based analysis
50018710	8	ChEMBL_2284231	Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methylcoumarin hydrobromide as substrate incubated for 30 mins by fluorescence microplate reader analysis
50018710	9	ChEMBL_2284232	Inhibition of human recombinant DPP8 using Gly-Pro-7-amido-4-methylcoumarin hydrobromide as substrate incubated for 30 mins by fluorescence microplate reader analysis
50018710	10	ChEMBL_2284233	Inhibition of human recombinant DPP9 using Gly-Pro-7-amido-4-methylcoumarin hydrobromide as substrate incubated for 30 mins by fluorescence microplate reader analysis
50018710	11	ChEMBL_2284236	Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC as substrate incubated for 10 mins by microplate reader analysis
50018710	12	ChEMBL_2284237	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate incubated for 20 mins by spectroscopic analysis
50018710	13	ChEMBL_2284238	Agonist activity at human GPR119 expressed in CHO-K1 cells assessed as increase in intracellular cAMP level incubated for 5 mins by fluorescence analysis
50018710	14	ChEMBL_2284239	Agonist activity at human GPR119 expressed in HEK293S cells assessed as increase in intracellular cAMP level incubated for 45 mins by HTRF analysis
50018710	15	ChEMBL_2284240	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 30 mins by spectrophotometric analysis
50018710	16	ChEMBL_2284241	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate incubated for 20 mins by microplate reader analysis
50018710	17	ChEMBL_2284242	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenol-alpha-D-glucopyranoside as substrate incubated for 15 mins by spectrophotometric method
50018710	18	ChEMBL_2284248	Inhibition of FBPase (unknown origin)
50018710	19	ChEMBL_2284250	Inhibition of FBPase in rat Primary hepatocyte assessed as reduction in glucose production
50018710	20	ChEMBL_2284251	Displacement of [125I]-glucagon from GCGR in Sprague-Dawley rat liver assessed as decrease in glucagon-stimulated CAMP production incubated for 45 mins by scintillation counter analysis
50018710	21	ChEMBL_2284252	Inhibition of human GCGR receptor
50018710	22	ChEMBL_2284253	Inhibition of human GST-tagged PTP1B expressed in Escherichia coli using pNPP as substrate by spectroscopic analysis
50018710	23	ChEMBL_2284254	Inhibition of DPP4 (unknown origin)
50018710	24	ChEMBL_2284255	Inhibition of DPP4 (unknown origin) using Gly-Pro-7-amido-4-methylcoumarin as substrate incubated for 30 mins by fluorescence analysis
50018710	25	ChEMBL_2284256	Agonist activity at FFA4 (unknown origin) expressed in CHO-K1 cells by BRET assay
50018710	26	ChEMBL_2284257	Agonist activity at FFAR1 (unknown origin) incubated for 16 hrs by Promoter-luciferase assay
50018710	27	ChEMBL_2284262	Agonist activity at human GPR40 expressed in HEK293 cells incubated for 1 hrs by calcium flux assay
50018712	1	ChEMBL_2284263	Inhibition of human LIMK1 (321 to 647 residues) expressed in Sf9 cells using dextrin as substrate incubated for 30 mins by micro-scintillation fluid method
50018712	2	ChEMBL_2284264	Inhibition of human LIMK1 (312 to 638 residues) expressed in Sf9 cells using dextrin as substrate incubated for 30 mins by micro-scintillation fluid method
50018712	3	ChEMBL_2284268	Inhibition of LIMK2 (unknown origin) in presence of ATP at 25 uM
50018712	4	ChEMBL_2284269	Inhibition of LIMK2 (unknown origin) in presence of ATP at 200 uM
50018712	5	ChEMBL_2284270	Inhibition of human recombinant LIMK1 in presence of ATP cofilin as substrate at 25 uM
50018712	6	ChEMBL_2284271	Inhibition of ROCK2 (unknown origin) by Kinase Glo luminescence assay
50018712	7	ChEMBL_2284272	Inhibition of LIMK1 (unknown origin)
50018712	8	ChEMBL_2284275	Inhibition of LIMK2 (unknown origin)
50018712	9	ChEMBL_2284276	Inhibition of LIMK1 (unknown origin) phosphorylation of cofilin
50018712	10	ChEMBL_2284277	Inhibition of PKA (unknown origin)
50018712	11	ChEMBL_2284278	Inhibition of human recombinant ROCK2 by ADP glo kinase assay
50018712	12	ChEMBL_2284286	Inhibition of LCK (unknown origin)
50018712	13	ChEMBL_2284290	Inhibition of CHK1 (unknown origin)
50018712	14	ChEMBL_2284291	Inhibition of human recombinant LIMK1
50018712	15	ChEMBL_2284292	Inhibition of human recombinant LIMK2
50018713	1	ChEMBL_2284320	Inhibition of ALK (unknown origin)
50018713	2	ChEMBL_2284321	Inhibition of ALK L1196M mutant (unknown origin)
50018715	1	ChEMBL_2284368	Inhibition of human recombinant Lck
50018715	2	ChEMBL_2284376	Inhibition of DPP4 (unknown origin)
50018715	3	ChEMBL_2284394	Binding affinity to rat CB1 receptor
50018715	4	ChEMBL_2284395	Binding affinity to human recombinant CB2 receptor
50018716	1	ChEMBL_2284420	Inhibition of Saccharomyces cerevisiae alpha-glucosidase activity using pNPG as substrate
50018718	1	ChEMBL_2284499	Inhibition of Escherichia coli DNA gyrase
50018720	1	ChEMBL_2284540	Inhibition of Bcr-Abl phosphorylation in BALB/c mouse 3T3 by Western blot analysis
50018720	2	ChEMBL_2284541	Inhibition of PDGFR phosphorylation in BALB/c mouse 3T3 by Western blot analysis
50018720	3	ChEMBL_2284542	Inhibition of c-Src (unknown origin)
50018720	4	ChEMBL_2284543	Inhibition of PKA (unknown origin)
50018720	5	ChEMBL_2284544	Inhibition of PKC (unknown origin)
50018720	6	ChEMBL_2284545	Inhibition of rat liver HMG-CoA reductase pre incubated for 5 mins followed by substrate addition using NADPH as substrate by scintillation counter analysis
50018720	7	ChEMBL_2284546	Displacement of [3H]DAMGO from human cloned mu-opioid receptor by radioligand binding assay
50018720	8	ChEMBL_2284547	Antagonist activity at human neurokinin receptor 1 assessed as inhibition of 125I-substance P binding to receptor by radioligand binding assay
50018720	9	ChEMBL_2284556	Displacement of [3H]MDL from NMDA receptor (unknown origin)
50018720	10	ChEMBL_2284560	Antagonist activity at human OX1R by FLIPR assay
50018720	11	ChEMBL_2284561	Antagonist activity at human OX2R by FLIPR assay
50018721	1	ChEMBL_2284564	Inhibition of Trypanosoma cruzi Cruzain
50018721	2	ChEMBL_2284567	Binding affinity to Cathepsin S (unknown origin) assessed as inhibition constant measured after 22 hrs
50018721	3	ChEMBL_2284568	Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris measured for 30 mins using Cbz-Phe-Arg-AMC as substrate
50018721	4	ChEMBL_2284570	Inhibition of Trypanosoma brucei rhodesiense rhodesain
50018721	5	ChEMBL_2284571	Binding affinity to Trypanosoma cruzi Cruzain assessed as inhibition constant
50018722	1	ChEMBL_2284580	Inhibition of yeast alpha-glucosidase using sucrose as substrate preincubated for 5 mins followed by sucrose addition and measured after 30 mins by spectroscopic analysis
50018722	2	ChEMBL_2284582	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by spectrophotometric assay
50018722	3	ChEMBL_2284583	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate by spectrophotometric assay
50018722	4	ChEMBL_2284584	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric assay
50018722	5	ChEMBL_2284585	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric assay
50018722	6	ChEMBL_2284591	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate preincubated for 15 mins followed by substrate addition by microplate reader assay
50018722	7	ChEMBL_2284592	Inhibition of alpha-glucosidase (unknown origin) using PNPG as substrate incubated for 30 mins by absorbance assay
50018722	8	ChEMBL_2284594	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectroscopic analysis
50018722	9	ChEMBL_2284595	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectroscopic analysis
50018722	10	ChEMBL_2284596	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate incubated for 30 mins by spectrophotometric assay
50018722	11	ChEMBL_2284597	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric assay
50018722	12	ChEMBL_2284598	Inhibition of yeast alpha-glucosidase assessed as release of p-nitrophenol using PNPG as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate photometer analysis
50018722	13	ChEMBL_2284599	Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 30 mins by spectrophotometric assay
50018722	14	ChEMBL_2284600	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as release of p-nitrophenol using pNPG as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by absorbance assay
50018722	15	ChEMBL_2284601	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as release of p-nitrophenol using pNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins by spectrophotometric assay
50018722	16	ChEMBL_2284602	Mixed-type inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate incubated for 30 mins by Lineweaver-Burk double-reciprocal plot analysis
50018722	17	ChEMBL_2284603	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using maltose as substrate incubated for 30 mins by spectrophotometric assay
50018722	18	ChEMBL_2284604	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as release of p-nitrophenol using pNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by plate reader analysis
50018722	19	ChEMBL_2284605	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as release of p-nitrophenol using pNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50018722	20	ChEMBL_2284606	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as release of p-nitrophenol using pNPG as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by spectrophotometric analysis
50018722	21	ChEMBL_2284607	Inhibition of baker's yeast alpha-glucosidase using PNP as substrate preincubated for 30 mins followed by sucrose addition and measured after 1 mins by UV spectrophotometric analysis
50018723	1	ChEMBL_2284820	Agonist activity at PPAR-gamma in human BMMSC cells assessed as induction of adiponectin production in presence of IDX adipogenic induction medium and measured on day 5 by ELISA
50018723	2	ChEMBL_2284821	Displacement of [3H]rosiglitazone from human PPAR-gamma incubated for 1 day by radioligand binding assay
50018724	1	ChEMBL_2284840	Inhibition of BCR-Abl (unknown origin)
50018724	2	ChEMBL_2284841	Inhibition of SRC (unknown origin)
50018724	3	ChEMBL_2284842	Antitubulin activity against bovine brain tubulin polymerization by spectrophotometric method
50018724	4	ChEMBL_2284955	Inhibition of EGFR (unknown origin)
50018724	5	ChEMBL_2284956	Inhibition of HDAC (unknown origin)
50018725	1	ChEMBL_2284990	Inhibition of N-terminal c-Jun phosphorylation in human HeLa cells
50018726	1	ChEMBL_2285082	Binding affinity to AR (unknown origin) incubated for 4 hrs by fluorescence polarization assay
50018727	1	ChEMBL_2285090	Inhibition of human 11beta-HSD1 expressed in HEK293 cells measured after 10 mins
50018727	2	ChEMBL_2285091	Inhibition of human 11beta-HSD1 by HTRF assay
50018727	3	ChEMBL_2285092	Inhibition of rat 11beta-HSD1 expressed in Leydig cells incubated for 2 hrs
50018727	4	ChEMBL_2285093	Inhibition of human 11beta-HSD1 incubated for 2 hrs
50018727	5	ChEMBL_2285094	Inhibition of human 11beta-HSD1 incubated for 30 mins by HPLC-MS/MS analysis
50018727	6	ChEMBL_2285095	Inhibition of rat 11beta-HSD1 expressed in Leydig cells
50018727	7	ChEMBL_2285096	Inhibition of human 11beta-HSD1 incubated for 2 hrs by HPLC analysis
50018727	8	ChEMBL_2285097	Inhibition of rat 11beta-HSD1 in kidney microsomes incubated for 20 mins by HPLC analysis
50018727	9	ChEMBL_2285098	Inhibition of human 11beta-HSD1 incubated for 22 hrs by HTRF assay
50018727	10	ChEMBL_2285099	Inhibition of mouse 11beta-HSD1
50018727	11	ChEMBL_2285100	Inhibition of human 11beta-HSD1
50018727	12	ChEMBL_2285101	Inhibition of rat 11beta-HSD1
50018727	13	ChEMBL_2285102	Inhibition of human 11beta-HSD1 using steroid as substrate incubated for 20 to 30 mins by microplate fluorimeter analysis
50018727	14	ChEMBL_2285103	Inhibition of mouse 11beta-HSD1 using steroid as substrate incubated for 20 to 30 mins by microplate fluorimeter analysis
50018727	15	ChEMBL_2285104	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells incubated for 24 hrs by HTRF assay
50018727	16	ChEMBL_2285105	Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells incubated for 24 hrs by HTRF assay
50018727	17	ChEMBL_2285106	Inhibition of human 11beta-HSD1 incubated for 24 hrs by HTRF assay
50018727	18	ChEMBL_2285107	Inhibition of mouse 11beta-HSD1 incubated for 24 hrs by HTRF assay
50018727	19	ChEMBL_2285108	Inhibition of mouse 11beta-HSD1 expressed in 3T3-L1 cells incubated for 24 hrs by HTRF assay
50018727	20	ChEMBL_2285109	Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells incubated for 3 hrs by HTRF assay
50018727	21	ChEMBL_2285110	Inhibition of human 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-MS analysis
50018727	22	ChEMBL_2285111	Inhibition of mouse 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-MS analysis
50018727	23	ChEMBL_2285112	Inhibition of monkey 11beta-HSD1 in liver microsome incubated for 24 hrs by LC-MS analysis
50018727	24	ChEMBL_2285113	Inhibition of human 11beta-HSD2 incubated for 2 hrs
50018727	25	ChEMBL_2285116	Inhibition of human 11beta-HSD2 incubated for 2 hrs by HPLC analysis
50018728	1	ChEMBL_2285123	Displacement of [3H]CP55940 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 90 mins
50018728	2	ChEMBL_2285124	Displacement of [3H]HU243 from rat brain membrane CB1 receptor assessed as inhibition constant incubated for 90 mins
50018729	1	ChEMBL_2285129	Inhibition of IL-6 stimulated STAT3 phosphorylation in human PBMC preincubated with compound for 10 to 15 mins followed by IL-6 stimulation and measured after 15 mins by ELISA analysis
50018729	2	ChEMBL_2285131	Inhibition of IL-23 stimulated STAT3 production in human naive T cell preincubated with compound for 10 to 15 mins followed by IL-23 stimulation and measured after 15 mins by ELISA analysis
50018729	3	ChEMBL_2285136	Inhibition of N-terminal flag tagged human JAK2 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay
50018729	4	ChEMBL_2285137	Inhibition of N-terminal flag tagged human TYK2 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay
50018729	5	ChEMBL_2285138	Inhibition of N-terminal flag tagged human JAK3 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay
50018729	6	ChEMBL_2285139	Inhibition of N-terminal flag tagged mouse JAK1 expressed in baculovirus infected Sf9 cells using biotin-EQEDEPEGDYFEWLE-NH2 as substrate in the presence of [gamma p33]-ATP by FRET assay
50018729	7	ChEMBL_2285140	Inhibition of recombinant human JAK1 (850 to end residues) in the presence of [gamma p33]-ATP
50018729	8	ChEMBL_2285141	Inhibition of recombinant human JAK2 (808 to end residues) in the presence of [gamma p33]-ATP
50018729	9	ChEMBL_2285142	Inhibition of recombinant human JAK3 (781 to end residues) in the presence of [gamma p33]-ATP
50018729	10	ChEMBL_2285143	Inhibition of recombinant human TYK2 (871 to end residues) in the presence of [gamma p33]-ATP
50018729	11	ChEMBL_2285144	Inhibition of recombinant human JAK1 (852 to 1142 residues)
50018729	12	ChEMBL_2285145	Inhibition of recombinant human JAK2 (808 to 1132 residues)
50018729	13	ChEMBL_2285146	Inhibition of recombinant human JAK3 (781 to 1124 residues)
50018729	14	ChEMBL_2285147	Inhibition of recombinant human TYK2 (870 to 1187 residues)
50018729	15	ChEMBL_2285148	Inhibition of recombinant GST-tagged JAK1 (unknown origin) expressed in baculovirus infected Sf9 cells in the presence of ATP by Alphascreen assay
50018729	16	ChEMBL_2285149	Inhibition of recombinant GST-tagged JAK2 (unknown origin) expressed in baculovirus infected Sf9 cells in the presence of ATP by Alphascreen assay
50018729	17	ChEMBL_2285150	Inhibition of recombinant GST-tagged JAK3 (unknown origin) expressed in baculovirus infected Sf9 cells in the presence of ATP by Alphascreen assay
50018729	18	ChEMBL_2285151	Inhibition of JAK2 (unknown origin)
50018729	19	ChEMBL_2285152	Inhibition of JAK3 (unknown origin)
50018729	20	ChEMBL_2285155	Inhibition of JAK1 (unknown origin)
50018729	21	ChEMBL_2285156	Inhibition of TYK2 (unknown origin)
50018729	22	ChEMBL_2285158	Inhibition of IL-2 induced STAT3 phosphorylation in human PBMC preincubated with compound for 30 mins followed by IL-2 stimulation and measured after 15 mins by flow cytometric analysis
50018729	23	ChEMBL_2285159	Inhibition of IL-6 induced STAT3 phosphorylation in human PBMC preincubated with compound for 30 mins followed by IL-6 stimulation and measured after 15 mins by flow cytometric analysis
50018729	24	ChEMBL_2285160	Inhibition of IL-23 induced STAT3 phosphorylation in human PBMC preincubated with compound for 30 mins followed by IL-23 stimulation and measured after 15 mins by flow cytometric analysis
50018729	25	ChEMBL_2285161	Inhibition of GM-CSF induced STAT3 phosphorylation in human PBMC preincubated with compound for 30 mins followed by GM-CSF stimulation and measured after 15 mins by flow cytometric analysis
50018729	26	ChEMBL_2285162	Inhibition of IFN-alpha induced STAT3 phosphorylation in human PBMC preincubated with compound for 30 mins followed by IFN-alpha stimulation and measured after 15 mins by flow cytometric analysis
50018729	27	ChEMBL_2285164	Competitive inhibition of JAK1 (unknown origin) in the presence of ATP
50018729	28	ChEMBL_2285165	Competitive inhibition of JAK2 (unknown origin) in the presence of ATP
50018729	29	ChEMBL_2285166	Inhibition of recombinant JAK1 (unknown origin) in the presence of ATP
50018729	30	ChEMBL_2285167	Inhibition of recombinant JAK2 (unknown origin) in the presence of ATP
50018729	31	ChEMBL_2285168	Inhibition of recombinant JAK3 (unknown origin) in the presence of ATP
50018729	32	ChEMBL_2285169	Inhibition of recombinant TYK2 (unknown origin) in the presence of ATP
50018729	33	ChEMBL_2285173	Inhibition of wild-type JAK2 (unknown origin) expressed in baculovirus expression system using (biotinyl-amino-hexanoyl)EQEDEPEGDYFEWLE-amide as substrate preincubated with substrate for 60 mins followed by compound addition and measured after 20 mins by time-resolve fluorescence assay
50018729	34	ChEMBL_2285174	Inhibition of FLT3 (unknown origin)
50018729	35	ChEMBL_2285175	Inhibition of TRKA (unknown origin)
50018729	36	ChEMBL_2285181	Inhibition of JAK2 (unknown origin) by Lanthascreen kinase assay
50018729	37	ChEMBL_2285182	Inhibition of JAK3 (unknown origin) by Lanthascreen kinase assay
50018729	38	ChEMBL_2285185	Inhibition of IL-3 stimulated wild type JAK2-mediated signalling in mouse BaF3 cells preincubated with compound for 5 hrs followed by IL-3 stimulation and measured after 20 mins by Alphascreen SureFire assay
50018729	39	ChEMBL_2285187	Inhibition of RET (unknown origin)
50018729	40	ChEMBL_2285188	Inhibition of human JAK1 kinase domain incubated for 1 hrs in the presence of ATP by spectrophotometric analysis
50018729	41	ChEMBL_2285189	Inhibition of human JAK2 kinase domain incubated for 1 hrs in the presence of ATP by spectrophotometric analysis
50018729	42	ChEMBL_2285190	Inhibition of human JAK3 kinase domain incubated for 1 hrs in the presence of ATP by spectrophotometric analysis
50018729	43	ChEMBL_2285191	Inhibition of human TYK2 kinase domain incubated for 1 hrs in the presence of ATP by spectrophotometric analysis
50018729	44	ChEMBL_2285197	Competitive inhibition of JAK1 (unknown origin) in the presence of ATP by JAK radiometric filter binding kinase assay
50018729	45	ChEMBL_2285198	Competitive inhibition of JAK2 (unknown origin) in the presence of ATP by JAK radiometric filter binding kinase assay
50018729	46	ChEMBL_2285199	Competitive inhibition of JAK3 (unknown origin) in the presence of ATP by JAK radiometric filter binding kinase assay
50018729	47	ChEMBL_2285200	Competitive inhibition of TYK2 (unknown origin) in the presence of ATP by JAK radiometric filter binding kinase assay
50018729	48	ChEMBL_2285201	Inhibition of full length wild type JAK2 (unknown origin) by JAK radiometric filter binding kinase assay
50018729	49	ChEMBL_2285202	Inhibition of full length JAK2 V617F mutant (unknown origin) by JAK radiometric filter binding kinase assay
50018729	50	ChEMBL_2285203	Inhibition of JAK1 (unknown origin) assessed as inhibition constant
50018729	51	ChEMBL_2285204	Inhibition of JAK2 (unknown origin) assessed as inhibition constant
50018729	52	ChEMBL_2285205	Inhibition of JAK3 (unknown origin) assessed as dissociation constant in the presence of [gamma p33]-ATP by radiometric assay
50018729	53	ChEMBL_2285206	Inhibition of TYK2 (unknown origin) assessed as inhibition constant
50018729	54	ChEMBL_2285215	Inhibition of IL6-stimulated STAT3 signalling in human CD4+ T cells
50018730	1	ChEMBL_2285308	Inhibition of human HPSE expressed in human HREC cells incubated for 24 hrs by ELISA
50018730	2	ChEMBL_2285309	Inhibition of HPSE (unknown origin) using Biotin-heparan sulfate-Eu cryptate as substrate incubated for 60 mins by TR-FRET assay
50018730	3	ChEMBL_2285310	Inhibition of recombinant human heparanase incubated for 4 hrs by beta-scintillation counter analysis
50018730	4	ChEMBL_2285311	Inhibition of human HPSE assessed as residual amount of heparin using porcine heparin as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by spectrophotometric analysis
50018730	5	ChEMBL_2285313	Inhibition of human HPSE incubated for 2 hrs using TMB peroxidase as substrate by microplate reader analysis
50018730	6	ChEMBL_2285315	Inhibition of HPSE (unknown origin)
50018730	7	ChEMBL_2285316	Inhibition of human HPSE using fluorescein isothiocyanate-HS as substrate incubated for 3 hrs by HPLC analysis
50018730	8	ChEMBL_2285317	Inhibition of HPSE (unknown origin) using fondaparinux as substrate incubated for 18 hrs by fluorescence plate reader analysis
50018730	9	ChEMBL_2285319	Inhibition of HPSE (unknown origin) assessed as decrease in radioactivity using [35S] heparan sulfate as substrate by HPLC analysis
50018730	10	ChEMBL_2285326	Inhibition of human recombinant heparanase preincubated for 10 mins followed by Bio-HS-Eu(K) substrate addition and measured after 150 mins by HTRF assay
50018730	11	ChEMBL_2285329	Inhibition of heparanase in mouse B16-BL6 cells using [3H]acetyl HS as substrate incubated for 3 hrs by scintillation counter analysis
50018731	1	ChEMBL_2285330	Inhibition of FTO (unknown origin) (31 to 505 residues) mediated demethylation activity expressed in Escherichia coli BL21(DE3) using 15-mer ssRNA oligonucleotide (5'-CUUGUCA(m6A)CAGCAGA-3') as substrate incubated for 0.5 hrs by LC-MS/MS analysis
50018731	2	ChEMBL_2285331	Inhibition of FTO (unknown origin) (31 to 505 residues) by LC/MS analysis
50018731	3	ChEMBL_2285333	Inhibition of full length human FTO expressed in Escherichia coli BL21(DE3) rosetta by HPLC analysis
50018731	4	ChEMBL_2285334	Displacement of dm6A-containing ssDNA from truncated N-terminal his-tagged human FTO (31 residues) mediated demethylation activity expressed in Escherichia coli BL21(DE3) using ssDNA (5'-ATTGTCA(dm6A)CAGCAGA-FAM-3') as substrate by fluorescence polarization assay
50018731	5	ChEMBL_2285335	Displacement of ssDNA from FTO (unknown origin)
50018731	6	ChEMBL_2285336	Inhibition of FTO (unknown origin) mediated m6A methylation by HPLC analysis
50018732	1	ChEMBL_2285339	Inhibition of mTOR (unknown origin)
50018732	2	ChEMBL_2285348	Inhibition of human mTOR
50018732	3	ChEMBL_2285351	Inhibition of PI3Kalpha (unknown origin)
50018733	1	ChEMBL_2285353	Binding affinity to methicillin sensitive Staphylococcus aureus PBP1
50018733	2	ChEMBL_2285356	Binding affinity to methicillin resistant Staphylococcus aureus PBP2a
50018733	3	ChEMBL_2285364	Displacement of [3H]-penicillin from Staphylococcus aureus PBP2a
50018733	4	ChEMBL_2285375	Inhibition of Staphylococcus aureus PBP1
50018733	5	ChEMBL_2285376	Inhibition of Staphylococcus aureus PBP2a
50018733	6	ChEMBL_2285377	Binding affinity to Staphylococcus aureus ATCC 43300 PBP2a
50018733	7	ChEMBL_2285378	Binding affinity to Streptococcus pneumoniae PBP2x
50018733	8	ChEMBL_2285381	Binding affinity to methicillin resistant Staphylococcus aureus PBP2a by MST method
50018741	1	ChEMBL_2285411	Inhibition of ABCB1 (unknown origin)
50018741	2	ChEMBL_2285412	Inhibition of ABCG2 (unknown origin)
50018741	3	ChEMBL_2285414	Inhibition of P-gp (unknown origin) mediated ATP hydrolysis
50018742	1	ChEMBL_2285416	Inhibition of COX1 (unknown origin)
50018742	2	ChEMBL_2285417	Inhibition of COX2 (unknown origin)
50018742	3	ChEMBL_2285422	Displacement of [35S] GTPgammaS from human 5-HT1A assessed as inhibition constant
50018742	4	ChEMBL_2285423	Displacement of [35S] GTPgammaS from human 5-HT1A
50018742	5	ChEMBL_2285431	Inhibition of JAK3 (unknown origin) incubated for 20 mins
50018743	1	ChEMBL_2285432	Inhibition of BRD4 (unknown origin)
50018743	2	ChEMBL_2285434	Inhibition of full length BRD4 (unknown origin) incubated for 18 hrs
50018743	3	ChEMBL_2285435	Inhibition of BRD4 (unknown origin) BD1 domain incubated for 18 hrs
50018743	4	ChEMBL_2285437	Inhibition of BRD4 (unknown origin) assessed as dissociation constant
50018743	5	ChEMBL_2285440	Inhibition of human recombinant GST-tagged PLK1 (1 to 603 residues) using casein as substrate incubated for 45 mins
50018743	6	ChEMBL_2285441	Inhibition of human N-terminal His6-tagged BRD4 (44 to 168 residues) by alpha screen assay
50018743	7	ChEMBL_2285442	Inhibition of p38alpha/beta (unknown origin)
50018743	8	ChEMBL_2285443	Inhibition of human full length BRD4
50018743	9	ChEMBL_2285445	Inhibition of BRD4 (unknown origin) BD1 domain
50018743	10	ChEMBL_2285446	Inhibition of HDAC (unknown origin)
50018744	1	ChEMBL_2285453	Inhibition of SARS-CoV-2 main protease
50018745	1	ChEMBL_2285455	Inhibition of recombinant N-terminal GST-tagged CDC25B (372 to 551 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 45 mins
50018745	2	ChEMBL_2285456	Inhibition of N-terminal FLAG-tagged wild type CDC25A (331 to 524 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 45 mins
50018745	3	ChEMBL_2285457	Inhibition of CDC25A (unknown origin)
50018745	4	ChEMBL_2285458	Inhibition of CDC25C (unknown origin)
50018745	5	ChEMBL_2285459	Inhibition of human recombinant CDC25B
50018745	6	ChEMBL_2285460	Inhibition of CDC25B (unknown origin)
50018745	7	ChEMBL_2285461	Inhibition of CDC25A (unknown origin) using fluorescein diphosphate as substrate
50018745	8	ChEMBL_2285463	Inhibition of recombinant CDC25A (unknown origin)
50018745	9	ChEMBL_2285464	Inhibition of recombinant CDC25B (unknown origin)
50018745	10	ChEMBL_2285465	Inhibition of recombinant CDC25C (unknown origin)
50018745	11	ChEMBL_2285466	Inhibition of human CDC25B
50018745	12	ChEMBL_2285468	Inhibition of human CDC25A
50018745	13	ChEMBL_2285469	Inhibition of human CDC25C
50018745	14	ChEMBL_2285471	Inhibition of recombinant N-terminal GST-tagged CDC25A (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 2 hrs
50018745	15	ChEMBL_2285472	Inhibition of recombinant N-terminal GST-tagged CDC25B (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 2 hrs
50018745	16	ChEMBL_2285473	Inhibition of recombinant N-terminal GST-tagged CDC25C (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 2 hrs
50018745	17	ChEMBL_2285474	Inhibition of human recombinant CDC25A
50018745	18	ChEMBL_2285475	Inhibition of human recombinant CDC25C
50018746	1	ChEMBL_2285514	Inhibition of [3H]-PDBu binding to PKCdelta C1B domain (unknown origin) by competitive binding assay
50018746	2	ChEMBL_2285515	Binding affinity to human recombinant CB1 receptor
50018747	1	ChEMBL_2285555	Agonist activity at mouse GCGR expressed in CHO cells assessed as increase in cAMP accumulation
50018747	2	ChEMBL_2285556	Agonist activity at mouse GLP-1R expressed in CHO cells assessed as increase in cAMP accumulation
50018748	1	ChEMBL_2285688	Inhibition of CDK1 (unknown origin)
50018748	2	ChEMBL_2285689	Inhibition of CDK2 (unknown origin)
50018748	3	ChEMBL_2285690	Inhibition of Aurora A (unknown origin)
50018748	4	ChEMBL_2285691	Inhibition of Aurora B (unknown origin)
50018748	5	ChEMBL_2285693	Inhibition of JAK2 (unknown origin)
50018748	6	ChEMBL_2285696	Inhibition of Src (unknown origin)
50018748	7	ChEMBL_2285697	Inhibition of human Aurora A
50018748	8	ChEMBL_2285699	Inhibition of human Aurora C
50018748	9	ChEMBL_2285700	Inhibition of human MEK1
50018748	10	ChEMBL_2285701	Inhibition of human MEK2
50018748	11	ChEMBL_2285702	Inhibition of recombinant full length His-tagged human PDK1 expressed in baculovirus expression system by FRET assay
50018748	12	ChEMBL_2285703	Inhibition of recombinant full length His-tagged human Aurora A expressed in baculovirus expression system by FRET assay
50018749	1	ChEMBL_2285709	Binding affinity to BRD4 BD1 (unknown origin)
50018749	2	ChEMBL_2285710	Binding affinity to BRD4 BD2 (unknown origin)
50018750	1	ChEMBL_2285732	Inhibition of alpha-glucosidase (unknown origin)
50018750	2	ChEMBL_2285733	Inhibition of PTP1B (unknown origin)
50018750	3	ChEMBL_2285734	Inhibition of alpha-glucosidase (unknown origin) by HPLC analysis
50018750	4	ChEMBL_2285737	Inhibition of aldose reductase (unknown origin) using DL-glyceraldehyde as substrate
50018750	5	ChEMBL_2285738	Inhibition of iNOS (unknown origin)
50018752	1	ChEMBL_2285773	Inhibition of Severe acute respiratory syndrome coronavirus 2 MPro incubated for 24 hrs by plaque assay
50018753	1	ChEMBL_2285777	Inhibition of human Topoisomerase 2 incubated for 30 mins by ELISA assay
50018753	2	ChEMBL_2285786	Inhibition of Escherichia coli DNA gyrase supercoiling activity by Microplate Assay kit method
50018753	3	ChEMBL_2285798	Inhibition of human MET incubated for 30 mins in presence of ATP by HTRF assay
50018753	4	ChEMBL_2285799	Inhibition of human MET H1094Y mutant incubated for 1 hrs by ELISA assay
50018753	5	ChEMBL_2285800	Inhibition of human MET Y1235D mutant incubated for 1 hrs by ELISA assay
50018753	6	ChEMBL_2285801	Inhibition of human MET M1250T mutant incubated for 1 hrs by ELISA assay
50018753	7	ChEMBL_2285802	Inhibition of human MET L1195V mutant incubated for 1 hrs by ELISA assay
50018753	8	ChEMBL_2285803	Inhibition of human MET D1228H mutant incubated for 1 hrs by ELISA assay
50018753	9	ChEMBL_2285806	Inhibition of c-Met (unknown origin) incubated for 1 hrs in presence of ATP by ELISA assay
50018753	10	ChEMBL_2285807	Inhibition of human VEGFR2 (unknown origin) incubated for 1 hrs in presence of ATP by ELISA assay
50018753	11	ChEMBL_2285808	Inhibition of Thymidine phosphorylase (unknown origin) incubated for 14 days by CAM assay
50018753	12	ChEMBL_2285813	Inhibition of EGFR (unknown origin) infected in insect sf9 cells incubated for 1 hrs in presence of ATP
50018753	13	ChEMBL_2285815	Inhibition of bovine brain tubulin polymerization incubated for 20 mins in presence of GTP
50018753	14	ChEMBL_2285884	Inhibition of Plasmodium vivax dihydrofolate reductase measured after 48 hrs
50018756	1	ChEMBL_2285929	Inhibition of Trypanosoma cruzi Cruzain using Z-Phe-Arg-AMC as flurogenic substrate
50018756	2	ChEMBL_2285932	Inhibition of Trypanosoma cruzi Cruzain
50018756	3	ChEMBL_2285934	Inhibition of Trypanosoma cruzi Tulahuen 2 Cruzain using Z-Phe-Arg-AMC as flurogenic substrate at 100 uM by spectrophotometry based analysis relative to control
50018757	1	ChEMBL_2285973	Inhibition of STAT3 phosphorylation a in human MOLM16 cells
50018758	1	ChEMBL_2285989	Inhibition of human PTP1B using pNPP as substrate incubated for 30 min
50018758	2	ChEMBL_2285990	Inhibition of PTP1B (unknown origin) assessed as inhibition constant using pNPP as substrate incubated for 15 min by Michaelis-Menten analysis
50018758	3	ChEMBL_2285991	Inhibition of Flag-tagged human TCPTP (1 to 296 residues) expressed in Escherichia coli BL21 using FDP as substrate
50018758	4	ChEMBL_2285993	Inhibition of Flag-tagged human PTP1B (1 to 298 residues) expressed in Escherichia coli BL21 using FDP as substrate
50018758	5	ChEMBL_2285994	Inhibition of PTP1B (unknown origin) using flurogenic substrate by fluorescence plate reader assay
50018758	6	ChEMBL_2285999	Inhibition of PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrate incubated for 2 to 3 min by spectrophotometry analysis
50018758	7	ChEMBL_2286000	Inhibition of human PTP1B (1 to 321 residues) expressed in Escherichia coli using FDP as substrate
50018758	8	ChEMBL_2286001	Inhibition of PTP1B (unknown origin) using OMFP as substrate by fluorescence assay
50018758	9	ChEMBL_2286006	Inhibition of ALR in Fischer-344 rat lens using D,L-glyceraldehyde as substrate in presence of NADPH measured after 3 mins by spectrophotometric assay
50018758	10	ChEMBL_2286007	Inhibition of ALR2 in pig lens using D,L-glyceraldehyde as substrate preincubated for 4 mins in presence of NADPH followed by substrate addition and measured after 4 mins by spectrophotometric assay
50018758	11	ChEMBL_2286008	Inhibition of human recombinant ALR2 expressed in Escherichia coli by Coomassie reagent assay
50018758	12	ChEMBL_2286012	Inhibition of human ALR2 assessed as inhibition constant
50018758	13	ChEMBL_2286013	Inhibition of human ALR2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using D,L-glyceraldehyde as substrate in presence of NADPH by Michaelis-Menten analysis
50018758	14	ChEMBL_2286014	Inhibition of Aldose reductase (unknown origin) using D,L-glyceraldehyde as substrate preincubated for 5 mins in presence of NADPH followed by substrate addition and measured after 3 mins by UV-visible spectrophotometric assay
50018758	15	ChEMBL_2286015	Inhibition of human Aldose reductase using glyceraldehyde as substrate preincubated for 5 mins in presence of NADPH followed by substrate addition and measured after 3 mins by UV-visible spectrophotometric assay
50018758	16	ChEMBL_2286016	Inhibition of human recombinant PTP1B expressed in Escherichia coli using pNPP as substrate by microplate reader assay
50018758	17	ChEMBL_2286017	Inhibition of human CD45 (564 to 12687 residues) expressed in Escherichia coli using FDP as substrate incubated for 10 min
50018758	18	ChEMBL_2286018	Inhibition of recombinant Aldose reductase in rat lens using D,L-glyceraldehyde as substrate in presence of NADPH measured after 4 mins by spectrophotometric assay
50018758	19	ChEMBL_2286020	Inhibition of ALR2 (unknown origin)
50018758	20	ChEMBL_2286021	Inhibition of Aldose reductase in human muscle tissue using D,L-glyceraldehyde as substrate in presence of NADPH by spectrophotometric assay
50018758	21	ChEMBL_2286022	Inhibition of Aldose reductase (unknown origin)
50018758	22	ChEMBL_2286023	Inhibition of human recombinant Aldose reductase
50018758	23	ChEMBL_2286025	Inhibition of Aldose reductase in rat lens using D,L-glyceraldehyde as substrate in presence of NADPH by spectrophotometric assay
50018758	24	ChEMBL_2286026	Inhibition of recombinant Aldose reductase in rat lens using D,L-glyceraldehyde as substrate preincubated for 1 min in presence of NADPH followed by substrate addition and measured after 3 mins by UV-spectrophotometric assay
50018758	25	ChEMBL_2286027	Inhibition of human recombinant PTP1B (1 to 321 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using pNPP as substrate by Michaelis-Menten analysis
50018758	26	ChEMBL_2286028	Inhibition of human recombinant VHR expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using pNPP as substrate by stopped-flow spectrophotometer
50018758	27	ChEMBL_2286029	Inhibition of human PTPalpha assessed as inhibition constant
50018758	28	ChEMBL_2286030	Inhibition of rat recombinant LAR expressed in Escherichia coli assessed as inhibition constant using pNPP as substrate incubated for 5 mins by liquid scintillation counter analysis
50018758	29	ChEMBL_2286031	Inhibition of human recombinant PTP1B (1 to 321 residues) expressed in Escherichia coli using TRDIYETDYYRK as peptide substrate incubated for 30 mins by by malachite green ammonium molybdate reagent assay
50018758	30	ChEMBL_2286032	Inhibition of LAR (unknown origin)
50018758	31	ChEMBL_2286033	Inhibition of PTPalpha (unknown origin)
50018758	32	ChEMBL_2286034	Inhibition of VHR (unknown origin)
50018758	33	ChEMBL_2286035	Inhibition of HEPTP (unknown origin)
50018758	34	ChEMBL_2286037	Inhibition of PTP1B (unknown origin)
50018758	35	ChEMBL_2286038	Inhibition of PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrate incubated for 60 min by Michaelis-Menten analysis
50018758	36	ChEMBL_2286039	Inhibition of rat recombinant PTP1B (1 to 321 residues) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrate
50018758	37	ChEMBL_2286040	Inhibition of human recombinant PTP1B (1 to 321 residues) expressed in Escherichia coli BL21 assessed as inhibition constant using pNPP as substrate
50018758	38	ChEMBL_2286041	Inhibition of PTP1B (unknown origin) assessed as inhibition constant
50018758	39	ChEMBL_2286042	Inhibition of PTPalpha (unknown origin) assessed as inhibition constant
50018758	40	ChEMBL_2286043	Inhibition of LAR (unknown origin) assessed as inhibition constant
50018758	41	ChEMBL_2286047	Inhibition of PTP1B (unknown origin) assessed as inhibition constant using pNPP as substrate
50018758	42	ChEMBL_2286048	Inhibition of human PTP1B expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using pNPP as substrate incubated for 15 min by Michaelis-Menten analysis
50018758	43	ChEMBL_2286054	Inhibition of human PTP1B (1 to 298 residues) expressed in Escherichia coli using FDP as substrate by microplate reader
50018758	44	ChEMBL_2286056	Inhibition of human recombinant PTP1B expressed in Escherichia coli BL21 (DE3) using pNPP as substrate by high-throughput screening assay
50018758	45	ChEMBL_2286057	Inhibition of human PTP1B (1 to 411 residues) expressed in Escherichia coli BL21 (DE3) using GNGDpYMPMSPKS as phosphopeptide substrate incubated for 30 mins by malachite green reagent assay
50018758	46	ChEMBL_2286058	Inhibition of PTP1B (unknown origin) using pNPP as substrate
50018758	47	ChEMBL_2286059	Inhibition of human recombinant GST-tagged PTP1B (1 to 321 residues) expressed in Escherichia coli using pNPP as substrate by spectrophotometer assay
50018758	48	ChEMBL_2286060	Inhibition of human PTP1B using pNPP as substrate incubated for 30 min by microplate reader assay
50018758	49	ChEMBL_2286061	Inhibition of PTP1B (unknown origin) using DiFMUP as substrate incubated for 30 min by fluorescence based microplate reader assay
50018758	50	ChEMBL_2286062	Inhibition of human PTP1B using pNPP as substrate incubated for 30 min by UV-Visible spectrophotometer assay
50018758	51	ChEMBL_2286065	Agonist activity at Gal4-PPARgamma (unknown origin) transfected in HCT-116 cells incubated for 24 hrs by luciferase reporter assay
50018758	52	ChEMBL_2286066	Inhibition of ALR2 (unknown origin) using D,L-glyceraldehyde as substrate incubated for 10 mins in presence of NADPH by UV-spectrophotometric assay
50018758	53	ChEMBL_2286069	Inhibition of human recombinant PTP1B using pNPP as substrate incubated for 40 min
50018758	54	ChEMBL_2286070	Inhibition of yeast alpha-glucosidase using PNP-G as substrate preincubated for 10 mins followed by substrate addition by spectrophotometer microplate reader assay
50018758	55	ChEMBL_2286071	Inhibition of human recombinant GST-tagged PTP1B (1 to 321 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader assay
50018758	56	ChEMBL_2286072	Inhibition of COX-2 (unknown origin) by spectrophotometer assay
50018759	1	ChEMBL_2286073	Inhibition of human recombinant full length TNKS1 (1030 to 1317 residues) expressed in Escherichia coli assessed as inhibition by fluorescence based analysis
50018759	2	ChEMBL_2286074	Inhibition of human recombinant TNKS1
50018759	3	ChEMBL_2286075	Inhibition of human recombinant TNKS2
50018759	4	ChEMBL_2286076	Inhibition of human recombinant TNKS2 expressed in Escherichia coli assessed as inhibition at 20 uM measured after 48 hrs by fluorescence based analysis
50018759	5	ChEMBL_2286077	Inhibition of TNKS1 (unknown origin)
50018760	1	ChEMBL_2286122	Inhibition of human FXIa using S-2366 as chromogenic substrate preincubated with enzyme for 10 mins followed by substrate addition by spectrophotometric analysis
50018760	2	ChEMBL_2286144	Binding affinity to active site dansylated human DEGR-FXIa assessed as change in fluorescence intensity by fluorescence based analysis
50018761	1	ChEMBL_2286159	Inhibition of elastase in human neutrophil using MeOSuc-AAPV-AMC as substrate by fluorescence based analysis
50018761	2	ChEMBL_2286160	Inhibition of human recombinant kallikrein 7 (23 to 252 residues) using MCA-RPKPVE-Nval-WRK(Dnp)-NH2 as substrate by fluorescence based analysis
50018761	3	ChEMBL_2286169	Inhibition of elastase in human neutrophil using N-(OMe-succinyl)-Ala-Ala-Pro-Val-p-nitroanilide as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured every 30s for 30 mins by absorbance based analysis
50018761	4	ChEMBL_2286173	Inhibition of KLK7 (unknown origin)
50018762	1	ChEMBL_2286190	Binding affinity to human CA1 assessed as inhibition constant
50018762	2	ChEMBL_2286191	Binding affinity to human CA2 assessed as inhibition constant
50018762	3	ChEMBL_2286192	Binding affinity to human CA7 assessed as inhibition constant
50018762	4	ChEMBL_2286193	Binding affinity to human CA9 assessed as inhibition constant
50018763	1	ChEMBL_2286276	Inhibition of IRAK4 (unknown origin) in presence of ATP by enzymatic assay
50018763	3	ChEMBL_2286317	Inhibition of IRAK1 (unknown origin) in presence of 25 uM ATP
50018763	4	ChEMBL_2286318	Inhibition of BTK (unknown origin) in presence of 25 uM ATP
50018763	5	ChEMBL_2286319	Inhibition of FLT3 (unknown origin) in presence of 600 uM ATP
50018763	6	ChEMBL_2286320	Inhibition of PI3Kdelta (unknown origin) in presence of 75 uM ATP
50018763	7	ChEMBL_2286321	Inhibition of TRKA (unknown origin) in presence of 400 uM ATP
50018763	8	ChEMBL_2286322	Inhibition of TRKB (unknown origin) in presence of 25 uM ATP
50018763	9	ChEMBL_2286323	Inhibition of TRKC (unknown origin) in presence of 50 uM ATP
50018764	1	ChEMBL_2286384	Inhibition of N-terminal GST-fused human wild type LRRK2 using fluorescein-labeled LRRKtide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by TR-FRET assay
50018764	2	ChEMBL_2286385	Inhibition of N-terminal GST-fused human LRRK2 G2019S mutant using fluorescein-labeled LRRKtide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by TR-FRET assay
50018764	3	ChEMBL_2286387	Inhibition of human wild type LRRK2 expressed in HEK293 cells assessed as reduction in pSer935 phosphorylation incubated for 2 hrs by HTRF analysis
50018764	4	ChEMBL_2286388	Inhibition of human LRRK2 G2019S mutant expressed in HEK293 cells assessed as reduction in pSer935 phosphorylation incubated for 2 hrs by HTRF analysis
50018764	5	ChEMBL_2286390	Inhibition of human wild type LRRK2 expressed in HEK293 cells assessed as reduction in pSer935 phosphorylation incubated for 2 hrs by immunoblotting analysis
50018764	6	ChEMBL_2286391	Inhibition of human LRRK2 G2019S mutant expressed in HEK293 cells assessed as reduction in pSer935 phosphorylation incubated for 2 hrs by immunoblotting analysis
50018764	7	ChEMBL_2286393	Inhibition of human wild type LRRK2 expressed in HEK293 cells assessed as reduction in pS1292 phosphorylation incubated for 2 hrs by MSD analysis
50018764	8	ChEMBL_2286394	Inhibition of human LRRK2 G2019S mutant expressed in HEK293 cells assessed as reduction in pS1292 phosphorylation incubated for 2 hrs by MSD analysis
50018764	9	ChEMBL_2286396	Inhibition human wild type LRRK2 expressed in human HEK293 assessed as Rab10 substrate phosphorylation at Threonine 73 residue incubated for 2 hrs by immunoblotting analysis
50018764	10	ChEMBL_2286397	Inhibition human LRRK2 G2019S mutant expressed in human HEK293 assessed as Rab10 substrate phosphorylation at Threonine 73 residue incubated for 2 hrs by immunoblotting analysis
50018765	1	ChEMBL_2286410	Agonist activity at human PGI2 receptor assessed as inhibition of ADP-induced platelet aggregation
50018765	2	ChEMBL_2286412	Binding affinity to recombinant human ETA
50018765	3	ChEMBL_2286413	Binding affinity to human placenta ETB
50018765	4	ChEMBL_2286414	Inhibition of human corpus cavernosum PDE5
50018767	1	ChEMBL_2286625	Activation of human PXR
50018767	2	ChEMBL_2286626	Binding affinity to human PXR
50018767	3	ChEMBL_2286630	Inhibition of human 11beta-HSD1
50018767	4	ChEMBL_2286631	Activation of PXR (unknown origin)
50018768	1	ChEMBL_2286660	Inhibition of mouse brain FAAH
50018768	2	ChEMBL_2286663	Inhibition of Hepatitis C virus NS4A-NS3 protease by continuous assay
50018768	3	ChEMBL_2286664	Antagonist activity at muscarinic M2 receptor (unknown origin) assessed as inhibition constant
50018768	4	ChEMBL_2286669	Inhibition of dopamine transporter (unknown origin)
50018768	5	ChEMBL_2286670	Inhibition of SERT (unknown origin)
50018768	6	ChEMBL_2286679	Inhibition of human SGLT2
50018768	7	ChEMBL_2286680	Inhibition of human SGLT1
50018768	8	ChEMBL_2286691	Displacement of [125I]-labeled SP from human NK-1 receptor expressed in CHO cells
50018768	9	ChEMBL_2286695	Inhibition of amyloid beta (1 to 42 ) (unknown origin)
50018768	10	ChEMBL_2286697	Inhibition of human SSTR2
50018768	11	ChEMBL_2286700	Inhibition of p38-MAPK (unknown origin)
50018768	12	ChEMBL_2286703	Inhibition of ACAT in human THP-1
50018768	13	ChEMBL_2286704	Inhibition of ACAT in rat
50018768	14	ChEMBL_2286719	Inhibition of human 5-LO expressed in Sf9 cells by spectrophotometric assay
50018768	15	ChEMBL_2286723	Inhibition of HIV-1 protease
50018768	16	ChEMBL_2286724	Inhibition of HIV-1 protease assessed as inhibition constant
50018768	17	ChEMBL_2286757	Inhibition of Hepatitis C virus NS5B polymerase
50018768	18	ChEMBL_2286773	Inhibition of recombinant human dipeptidyl peptidase 4 using Gly-Pro-AMC as substrate
50018768	19	ChEMBL_2286784	Inhibition of Influenza A virus CEN
50018768	20	ChEMBL_2286785	Inhibition of MNK1 (unknown origin)
50018768	21	ChEMBL_2286786	Inhibition of hERG
50018769	1	ChEMBL_2286803	Displacement of [3H]spermidine trihydrochloride from N-terminal 6his tagged TEV fused human DHPS expressed in Escherichia coli BL21 (DE3) incubated for 120 mins in the presence of 14 uM NAD+ by radiometric assay
50018769	2	ChEMBL_2286804	Displacement of [3H]spermidine trihydrochloride from N-terminal 6his tagged TEV fused human DHPS expressed in Escherichia coli BL21 (DE3) incubated for 120 mins in the presence of 250 uM NAD+ by radiometric assay
50018771	1	ChEMBL_2286811	Inhibition of DPP-4 (unknown origin)
50018771	2	ChEMBL_2286825	Inhibition of hERG channel by patch clamp assay
50018771	3	ChEMBL_2286826	Inhibition of hERG by thallium flux assay
50018771	4	ChEMBL_2286827	Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate incubated for 30 mins by spectroscopic analysis
50018771	5	ChEMBL_2286835	Inhibition of DPP-8 (unknown origin)
50018771	6	ChEMBL_2286836	Inhibition of DPP-9 (unknown origin)
50018771	7	ChEMBL_2286851	Inhibition of human DPP-4 expressed in human Caco-2 cells using H-Gly-Pro-AMC as substrate measured for 30 mins by microplate reader analysis
50018771	8	ChEMBL_2286854	Inhibition of human recombinant DPP-4 using (H-Gly-Pro-AMC as substrate
50018771	9	ChEMBL_2286861	Inhibition of human recombinant DPP-4
50018771	10	ChEMBL_2286862	Inhibition of human recombinant DPP-8
50018771	11	ChEMBL_2286863	Inhibition of human recombinant DPP-9
50018771	12	ChEMBL_2286871	Inhibition of DPP-4 (unknown origin) using (H-Gly-Pro-AMC) as substrate
50018771	13	ChEMBL_2286878	Inhibition of human recombinant DPP-4 using H-Gly-Pro-aminomethylcoumarin as substrate
50018771	14	ChEMBL_2286884	Binding affinity to DPP-4 (unknown origin) assessed as inhibition constant
50018771	15	ChEMBL_2286887	Inhibition of human recombinant DPP-4 at 10 uM using Gly-Pro-Aminomethylcoumarin as substrate by Spectra max fluorometer analysis relative to control
50018772	1	ChEMBL_2286899	Inhibition of Influenza A virus N-terminal domain of PA endonuclease by fluorescence polarization method
50018772	2	ChEMBL_2286906	Antagonist activity at rat TRPV1
50018772	3	ChEMBL_2286910	Antagonist activity at mGluR1alpha (unknown origin)
50018772	4	ChEMBL_2286920	Inhibition of ABL1 (unknown origin)
50018772	5	ChEMBL_2286925	Binding affinity to rat brain membrane adrenergic beta-1 receptor
50018772	6	ChEMBL_2286926	Binding affinity to bovine lung membrane adrenergic beta-2 receptor
50018772	7	ChEMBL_2286942	Inhibition of CYP3A4 (unknown origin)
50018772	8	ChEMBL_2286943	Inhibition of hERG channel
50018772	9	ChEMBL_2286944	Antagonist activity against human V1A receptor expressed in human 1321N1 cells
50018774	1	ChEMBL_2287140	Inhibition of NorA efflux pump in Staphylococcus aureus 1199B overexpressing NorA gene assessed as reduction in EtBr efflux inhibition by spectrofluorometric assay
50018774	2	ChEMBL_2287171	Inhibition of MurE ligase activity in Mycobacterium tuberculosis assessed as release of inorganic phosphate by hydrolysis of ATP using UDP-MurNAc-l-Ala-d-Glu as substrate in presence of ATP incubated for 30 mins by absorbance assay
50018774	3	ChEMBL_2287196	Inhibition of P-gp mediated efflux in human LS180 cells using digoxin as substrate incubated for 90 mins by fluorescence assay
50018775	1	ChEMBL_2287215	Antagonist activity at FXR in human HepG2 cells incubated for 24 hrs by dual luciferase reporter assay
50018775	2	ChEMBL_2287217	Antagonist activity at FXR (unknown origin) by HTFR assay
50018775	3	ChEMBL_2287219	Agonist activity at TGR5 (unknown origin)
50018775	4	ChEMBL_2287230	Agonist activity at TGR5 in human T-lymphocyte cells assessed as increase in cAMP production
50018775	5	ChEMBL_2287231	Agonist activity at human TGR5 transfected in CHO-K1 cells assessed as increase in cAMP production
50018775	6	ChEMBL_2287233	Agonist activity at TGR5 in human STC1 cells assessed as increase in GLP-1 secretion
50018775	7	ChEMBL_2287234	Agonist activity at TGR5 in human HEK293 cells incubated for 30 mins
50018775	8	ChEMBL_2287235	Agonist activity at human TGR5 transfected in CHO cells assessed as increase in cAMP production
50018775	9	ChEMBL_2287243	Agonist activity at TGR5 in human HEK293 cells assessed as increase in cAMP production
50018775	10	ChEMBL_2287244	Agonist activity at human TGR5 expressed in human HEK293 cells measured after 5.5 hrs by steady-glo luciferase assay
50018775	11	ChEMBL_2287251	Agonist activity at mouse TGR5
50018775	12	ChEMBL_2287252	Agonist activity at human TGR5
50018775	13	ChEMBL_2287253	Antagonist activity at FXR in human HepG2 cells in presence of CDCA by luciferase reporter assay
50018775	14	ChEMBL_2287254	Antagonist activity at FXR in human HepG2 cells
50018775	15	ChEMBL_2287255	Agonist activity at FXR transfected in human NCI-H716 cells assessed as increase in cAMP production
50018775	16	ChEMBL_2287257	Agonist activity at human Gal4-fused FXR expressed in human HEK293 cells
50018775	17	ChEMBL_2287258	Agonist activity at human FXR transfected in African green monkey CV-1 cells assessed as receptor transactivation
50018775	18	ChEMBL_2287259	Agonist activity at human FXR expressed in Escherichia coli BL21 (DE3) assessed as effect on europium labeled SRC-1 peptide recruitment by HTRF assay
50018775	19	ChEMBL_2287261	Agonist activity at FXR (unknown origin)
50018775	20	ChEMBL_2287262	Agonist activity at FXR (unknown origin) by FRET assay
50018775	21	ChEMBL_2287264	Agonist activity at GAL4-fused N-terminal GST tagged human FXR LBD expressed in human HEK293 cells by one hybrid reporter assay
50018775	22	ChEMBL_2287268	Agonist activity at human GST-tagged FXR LBD (193 to 472 residues) by FRET assay
50018775	23	ChEMBL_2287269	Antagonist activity at FXR (unknown origin)
50018776	1	ChEMBL_2287561	Inhibition of PEAK1 (unknown origin)
50018776	2	ChEMBL_2287562	Inhibition of GST-tagged human recombinant CDK11 (1 to 795 residues) expressed in baculovirus expression system
50018776	3	ChEMBL_2287563	Inhibition of GST/His-tagged human recombinant DDR2 N456S mutant (422 to 855 residues) expressed in baculovirus expression system
50018776	4	ChEMBL_2287564	Inhibition of GST-tagged human recombinant haspin (471 to 798 residues) expressed in insect cells
50018777	1	ChEMBL_2287570	Inhibition of human recombinant his tagged HDAC3 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by spectrophotometer based analysis
50018777	2	ChEMBL_2287571	Inhibition of HDAC in human HeLa cells using FLUOR DE LYS-SIRT1 as fluorogenic substrate incubated for 4 hrs by spectrophotometer based analysis
50018777	3	ChEMBL_2287572	Inhibition of human recombinant his tagged HDAC1 expressed in baculovirus expression system using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by spectrophotometer based analysis
50018777	4	ChEMBL_2287573	Inhibition of human HDAC2
50018777	5	ChEMBL_2287575	Inhibition of human HDAC3 expressed in baculovirus infected insect cells using FLUOR DE LYS-SIRT1 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by spectrophotometer based analysis
50018777	6	ChEMBL_2287576	Inhibition of human HDAC6
50018777	7	ChEMBL_2287579	Inhibition of CYP3A4 (unknown origin)
50018777	8	ChEMBL_2287580	Inhibition of CYP2D6 (unknown origin)
50018777	9	ChEMBL_2287581	Inhibition of CYP2C9 (unknown origin)
50018777	10	ChEMBL_2287582	Inhibition of CYP1A2 (unknown origin)
50018777	11	ChEMBL_2287586	Inhibition of hERG potassium channel incubated for 4 hrs by fluorescence polarization assay
50018777	12	ChEMBL_2287587	Inhibition of human HDAC4
50018777	13	ChEMBL_2287588	Inhibition of human HDAC5
50018777	14	ChEMBL_2287589	Inhibition of human HDAC7
50018777	15	ChEMBL_2287590	Inhibition of hERG by patch clamp assay
50018777	16	ChEMBL_2287591	Inhibition of Nav1.5 (unknown origin)
50018778	1	ChEMBL_2288187	Inhibition of human PGAM1 in human MDA-MB-231 cells assessed as decrease in PGAM1 activity incubated for 2 hrs by UV/Vis spectrophotometry
50018778	2	ChEMBL_2288188	Inhibition of His6-tagged human PGAM1 expressed in Escherichia coli BL21(DE3)pLysS cells assessed as decrease in autofluorescence from oxidation of NADH in presence of LDH and pyruvate kinase M1 by multiple enzymes coupled assay
50018778	3	ChEMBL_2288190	Inhibition of recombinant PGAM1 (unknown origin) assessed as decrease in absorbance in presence of LDH, pyruvate kinase M2 and NADH by spectroscopic analysis
50018778	4	ChEMBL_2288197	Allosteric inhibition of PGAM1 (unknown origin) assessed as decrease in absorbance in presence of LDH, pyruvate kinase M2 and NADH by spectroscopic analysis
50018778	5	ChEMBL_2288203	Inhibition of His-tagged recombinant PGAM1 (unknown origin) expressed in Escherichia coli BL21 assessed as decrease in absorbance from oxidation of NADH in presence of LDH, pyruvate kinase M1 and NADH by microplate reader assay
50018778	6	ChEMBL_2288204	Inhibition of His-tagged recombinant PGAM1 (unknown origin) assessed as reduction in ATP production in presence of pyruvate kinase M1 and ATP by Kinase-Glo Max luminescent kinase assay
50018778	7	ChEMBL_2288206	Binding affinity to PGAM1 (unknown origin) assessed as dissociation constant by fluorescence-based assay
50018779	1	ChEMBL_2288277	Inhibition of human URAT1 mediated 14C-uric acid uptake expressed in HEK293 cells using 14C-uric acid as substrate incubated for 30 mins by liquid scintillation counting analysis
50018779	2	ChEMBL_2288281	Inhibition of GLUT9 (unknown origin) transfected in HEK293 cells assessed as inhibition of uric acid-induced current by whole cell patch clamp analysis
50018780	1	ChEMBL_2288290	Inhibition of N-terminal his-tagged human recombinant LSD1 using 10-acetyl-3,7-dihydroxyphenoxazine as substrate measured for 30 mins by multiplate reader analysis
50018780	2	ChEMBL_2288291	Inhibition of human recombinant LSD1 assessed as inhibition constant by HRP-coupled assay
50018781	1	ChEMBL_2288315	Inhibition of electric eel AChE using ATC and BTC iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by DTNB reagent based assay
50018781	2	ChEMBL_2288316	Inhibition of equine serum BuChE using ATC and BTC iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by DTNB reagent based assay
50018781	3	ChEMBL_2288317	Inhibition of human AChE using ATC and BTC iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by DTNB reagent based assay
50018782	1	ChEMBL_2288440	Inhibition of NTMT1 (unknown origin) using SPKRIAKRRS(CONH2) peptide as substrate assessed as SAH production incubated for 10 mins in the presence of SAM by HPLC analysis
50018783	1	ChEMBL_2288536	Inhibition of thapsigargin-induced XBP1-luciferase activation in human HeLa cells incubated for 24 hrs by luciferase assay
50018783	2	ChEMBL_2288537	Inhibition of endogenous XBP1 splicing in human HeLa cells incubated for 8 hrs by RT-PCR
50018784	1	ChEMBL_2288611	Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorescence based assay
50018784	2	ChEMBL_2288612	Inhibition of human placental microsome aromatase using androstenedione as substrate assessed as reduction in 3H2O formation preincubated for 5 mins in presence of NADPH followed by microsomal protein addition and measured after 3 hrs
50018784	3	ChEMBL_2288613	Inhibition of human placental aromatase using androstenedione as substrate incubated in dark for 16 hrs
50018785	1	ChEMBL_2288617	Inhibition of VEGFR2 (unknown origin) by caliper mobility shift assay
50018786	1	ChEMBL_2288779	Inhibition of HDAC1 (unknown origin) by ELISA assay
50018786	2	ChEMBL_2288780	Inhibition of HDAC2 (unknown origin) by ELISA assay
50018786	3	ChEMBL_2288781	Inhibition of HDAC8 (unknown origin) by ELISA assay
50018786	4	ChEMBL_2288782	Inhibition of HDAC6 (unknown origin) by ELISA assay
50018787	1	ChEMBL_2288784	Inhibition of DHODH in human HeLa cells assessed as reduction in hypoxia-induced VEGF expression incubated for 48 hrs by ELISA assay
50018788	1	ChEMBL_2288855	Effect on P-gp (unknown origin) ATPase activity assessed as increased ATP consumption using Mg-ATP as substrate preincubated for 5 min followed by Mg-ATP addition and measured after 40 mins by P-gp Glo luminescence assay
50018789	1	ChEMBL_2288893	Inhibition of human recombinant MAO-A assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by fluorescence spectrophotometry analysis
50018789	2	ChEMBL_2288894	Inhibition of human recombinant MAO-B assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by fluorescence spectrophotometry analysis
50018790	1	ChEMBL_2288919	Inhibition of recombinant HDAC8 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018790	2	ChEMBL_2288920	Inhibition of recombinant HDAC1 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018790	3	ChEMBL_2288921	Inhibition of recombinant HDAC2 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018790	4	ChEMBL_2288922	Inhibition of recombinant HDAC3 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018790	5	ChEMBL_2288923	Inhibition of recombinant HDAC4 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018790	6	ChEMBL_2288924	Inhibition of recombinant HDAC6 (unknown origin) incubated for 3 hrs by chemiluminescent assay
50018791	1	ChEMBL_2288968	Inhibition of MMP-2 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50018791	2	ChEMBL_2288969	Inhibition of MMP-3 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins by fluorometric assay
50018791	3	ChEMBL_2288970	Inhibition of MMP-9 (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay
50018792	1	ChEMBL_2289004	Inhibition of PI3Kgamma (unknown origin) preincubated for 10 mins followed by ATP addition and measured after 60 mins by ADP-Glo assay
50018792	2	ChEMBL_2289005	Inhibition of PI3Kalpha (unknown origin) preincubated for 10 mins followed by ATP addition and measured after 60 mins by ADP-Glo assay
50018792	3	ChEMBL_2289006	Inhibition of PI3Kbeta (unknown origin) preincubated for 10 mins followed by ATP addition and measured after 60 mins by ADP-Glo assay
50018792	4	ChEMBL_2289007	Inhibition of PI3Kdelta (unknown origin) preincubated for 10 mins followed by ATP addition and measured after 60 mins by ADP-Glo assay
50018793	1	ChEMBL_2289104	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50018793	2	ChEMBL_2289116	Inhibition of AChE induced HFIP-pretreated amyloid beta (1 to 42 ) (unknown origin) aggregation incubated for 24 hr by Thioflavin T based fluorometric assay
50018793	3	ChEMBL_2289119	Inhibition of AChE in human SH-SY5Ycells assessed as reduction AChE activity using acetylthiocholine as substrate incubated for 24 hrs by DTNB based Ellman's method
50018794	1	ChEMBL_2289172	Inhibition of human glutaminyl cyclase using L-glutamine-7-amido-4-methylcoumarin as substrate incubated for 10 mins in presence of pyroglutamyl peptidase by fluorometry analysis
50018794	2	ChEMBL_2289175	Inhibition of hERG by fluorescence polarization assay
50018794	3	ChEMBL_2289179	Inhibition of isoQC (unknown origin)
50018794	4	ChEMBL_2289180	Inhibition of mouse glutaminyl cyclase
50018795	1	ChEMBL_2289255	Displacement of 12G5 mAb from CXCR4 (unknown origin) expressed in CHO cells incubated for 40 mins by spectrophotometric method
50018795	2	ChEMBL_2289259	Antagonist activity against CXCR4 in human SUP-T1 cells assessed as inhibition of SDF-1alpha-induced cell migration preincubated with cells for 30 mins followed by incubation with SDF-1alpha for 3 hrs by CellTiter-96 reagent based transwell assay
50018796	1	ChEMBL_2289395	Binding affinity to Nur77 ligand binding domain (unknown origin) by surface plasmon resonance analysis
50018796	2	ChEMBL_2289396	Binding affinity to Nur77 ligand binding domain (unknown origin) by fluorescence quenching assay
50018796	3	ChEMBL_2289437	Binding affinity to Nur77 (unknown origin)
50018796	4	ChEMBL_2289438	Binding affinity to Nur77-LBD (unknown origin)
50018797	1	ChEMBL_2289457	Protac activity at FEM1B/BRD4 in human HEK293T cells assessed as degradation of BRD4 incubated for 8 hrs by Western blot analysis
50018797	2	ChEMBL_2289459	Inhibition of recombinant human HDAC3 expressed in BTI-TN-5B1-4 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate incubated for 24 hrs by fluorescence based assay
50018797	3	ChEMBL_2289478	Inhibition of human HDAC1
50018797	4	ChEMBL_2289479	Inhibition of human HDAC2
50018797	5	ChEMBL_2289480	Inhibition of human HDAC3
50018797	6	ChEMBL_2289481	Inhibition of human HDAC6
50018799	1	ChEMBL_2289487	Inhibition of PRMT5 human PRMT5 using Biotinylated H4 derived peptide and [3H]-SAM as substrate by radioactive methylation assay
50018799	2	ChEMBL_2289488	Inhibition of PRMT5 (unknown origin) assessed as enzymatic activity by AlphaLISA assay
50018799	3	ChEMBL_2289490	Inhibition of PRMT5 (unknown origin) by AlphaLISA assay
50018799	4	ChEMBL_2289491	Inhibition of PRMT5 human PRMT5 using [3H]-SAM as substrate by radioactive methylation assay
50018799	5	ChEMBL_2289493	Inhibition of human PRMT5 using H4R3 S1ac and [3H]-SAM as substrate by AlphaLISA assay
50018799	6	ChEMBL_2289494	Inhibition of human PRMT1 using H4R3 S1ac and [3H]-SAM as substrate by AlphaLISA assay
50018799	7	ChEMBL_2289495	Inhibition of PRMT5 (unknown origin)
50018799	8	ChEMBL_2289497	Inhibition of human PRMT5 by fluorescence-based SAHH-coupled assay
50018799	9	ChEMBL_2289499	Inhibition of human PRMT1 by fluorescence-based SAHH-coupled assay
50018799	10	ChEMBL_2289500	Inhibition of human PRMT4 by fluorescence-based SAHH-coupled assay
50018800	1	ChEMBL_2289548	Binding affinity to AhR (unknown origin) assessed as dissociation constant
50018800	2	ChEMBL_2289549	Agonist activity at AhR (unknown origin)
50018800	3	ChEMBL_2289550	Activation of human AhR expressed in Saccharomyces cerevisiae YCM3 coexpressing ARNT incubated for 18 hrs
50018800	4	ChEMBL_2289552	Binding affinity to AhR (unknown origin) assessed as inhibition constant
50018800	5	ChEMBL_2289553	Antagonist activity at AhR (unknown origin) expressed in human U87 cells assessed as inhibition of kynurenic acid-induced transactivation by Renilla/Firefly based dual-glo luciferase assay
50018800	6	ChEMBL_2289555	Antagonist activity at AhR (unknown origin) assessed as inhibition of TCDD-induced luciferase activity
50018800	7	ChEMBL_2289556	Antagonist activity at AhR in rat liver cytosol assessed as inhibition of TCDD-induced AhR/DNA complex formation by gel retardation assay
50018800	8	ChEMBL_2289557	Inhibition of TCDD binding to rat liver cytosol AhR
50018800	9	ChEMBL_2289558	Antagonist activity at AhR (unknown origin)
50018800	10	ChEMBL_2289559	Modulator activity at AhR (unknown origin)
50018800	11	ChEMBL_2289563	Antagonist activity at AhR in human HepG2 cells assessed as inhibition of TCDD-induced receptor activation pretreated for 1 hr followed by TCDD addition and measured after 24 hrs by bright-glo luciferase assay
50018801	1	ChEMBL_2289592	Inhibition of human NOX4 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence based microplate reader analysis
50018801	2	ChEMBL_2289593	Inhibition of human NOX2 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence based microplate reader analysis
50018802	1	ChEMBL_2289722	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system measured after 2 hrs by ELISA method
50018803	1	ChEMBL_2289750	Modulation of rat alpha6beta3gamma2 GABA A receptor expressed in Xenopus oocytes assessed as reduction in desensitization at -80 mV holding potential by two-electrode voltage-clamp assay
50018804	1	ChEMBL_2289798	Displacement of [3H] Pentazocine from sigma 1 receptor in HEK293 cell membrane
50018804	2	ChEMBL_2289799	Displacement of [3H]N-methylspiperone from D4 receptor in HEK293 cell membrane
50018804	3	ChEMBL_2289800	Binding affinity to sigma 1 receptor in human Jurkat cells
50018804	4	ChEMBL_2289803	Displacement of [3H]DTG from sigma-2 receptor in HEK293 cell membrane assessed as inhibition constant
50018804	5	ChEMBL_2289804	Displacement of [3H]N-methylspiperone from D2 receptor in HEK293 cell membrane assessed as inhibition constant
50018804	6	ChEMBL_2289805	Displacement of [3H]N-methylspiperone from D3 receptor in HEK293 cell membrane assessed as inhibition constant
50018804	7	ChEMBL_2289806	Displacement of [3H]SCH23390 from D5 receptor in HEK293 cell membrane assessed as inhibition constant
50018804	8	ChEMBL_2289810	Displacement of [3H]SCH23390 from D1 receptor in HEK293 cell membrane assessed as inhibition constant
50018807	1	ChEMBL_2289885	Inhibition of rat AMPK
50018807	2	ChEMBL_2289886	Competitive inhibition of ULK1 (unknown origin) in presence of ATP
50018807	3	ChEMBL_2289887	Inhibition of ULK1 (unknown origin)
50018807	4	ChEMBL_2289888	Inhibition of ULK2 (unknown origin)
50018807	5	ChEMBL_2289889	Inhibition of VPS34 (unknown origin)
50018807	6	ChEMBL_2289890	Inhibition of P13Kgamma (unknown origin)
50018807	7	ChEMBL_2289893	Inhibition of ATG4B (unknown origin)
50018807	8	ChEMBL_2289897	Inhibition of recombinant human HPSE expressed in insect cells by fondaparinux assay
50018808	1	ChEMBL_2289921	Binding affinity to recombinant ABL (unknown origin)
50018810	1	ChEMBL_2290049	Inhibition of wild type rearranged during transfection kinase (unknown origin) preincubated for 1 hr followed by addition of development agent incubated for 1 hr measured by FRET-based Z'-Lyte assay
50018811	1	ChEMBL_2290097	Binding affinity of SARS-Cov-2 M pro expressed in Escherichia coli cells BL21(DE3) assessed as inhibition constant preincubated for 30 mins followed by substrate addition of DABCYL-KTSAVLQSGFRKM-EDANS (aBachem) measured after 15 mins
50018812	1	ChEMBL_2290107	Inhibition of yeast alpha-glucosidase
50018812	2	ChEMBL_2290121	Inhibition of yeast alpha-glucosidase using p-nitrophenyl glycoside as substrate by spectrometric method
50018813	1	ChEMBL_2290144	Inhibition of C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by FRET assay
50018813	2	ChEMBL_2290150	Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as dissociation constant by Cheng-Prusoff equation analysis
50018813	3	ChEMBL_2290158	Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC assay
50018814	1	ChEMBL_2290231	Antagonist activity at SMO D473H mutant (unknown origin) expressed in mouse TM3 cells coexpressing Gli-luc reporter gene assessed as inhibition of Hh-Ag1.5 induced Gli luciferase activity incubated for 48 hrs by luminescence assay
50018814	2	ChEMBL_2290233	Inhibition of GLI1-mediated transcriptional activity in human HaCaT cells coexpressing luciferase
50018814	3	ChEMBL_2290234	Inhibition of GLI1 (unknown origin) transcriptional activity
50018814	4	ChEMBL_2290237	Binding affinity to Shh (unknown origin) assessed as dissociation constant
50018815	1	ChEMBL_2290271	Inhibition of CDK1 (unknown origin)
50018815	2	ChEMBL_2290272	Inhibition of CDK2 (unknown origin)
50018815	3	ChEMBL_2290273	Inhibition of CDK4 (unknown origin)
50018815	4	ChEMBL_2290274	Inhibition of CDK9 (unknown origin)
50018815	5	ChEMBL_2290275	Inhibition of CDK5 (unknown origin)
50018815	6	ChEMBL_2290282	Inhibition of CDK9/cyclin T1 (unknown origin) using as PDKtide substrate incubated for 1 hr in presence of ATP by ADP-glo luminescent assay
50018815	7	ChEMBL_2290283	Inhibition of CDK2/cyclin A (unknown origin) incubated for 1 hr in presence of ATP by ADP-glo luminescent assay
50018820	1	ChEMBL_2290316	Inhibition of HIS-tagged recombinant Leishmania infantum TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	2	ChEMBL_2290317	Disruption of HIS-FLAG-tagged recombinant Leishmania infantum TryR dimerization expressed in Escherichia coli Rossetta BL21 (DE3) cells incubated for 16 hrs by ELISA analysis
50018820	3	ChEMBL_2290319	Inhibition of HIS-tagged recombinant Trypanosoma brucei TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	4	ChEMBL_2290320	Inhibition of HIS-tagged recombinant Trypanosoma cruzi TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	5	ChEMBL_2290321	Inhibition of HIS-tagged recombinant Trypanosoma congolense TryR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	6	ChEMBL_2290322	Inhibition of HIS-tagged recombinant human GR oxidoreductase activity expressed in Escherichia coli in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	7	ChEMBL_2290323	Competitive inhibition of HIS-FLAG-tagged recombinant Leishmania infantum TryR expressed in Escherichia coli using TS2 substrate assessed as inhibition constant in the presence of NADPH by spectrophotometry based DTNB-coupled assay
50018820	8	ChEMBL_2290324	Competitive inhibition of HIS-FLAG-tagged recombinant Leishmania infantum TryR expressed in Escherichia coli assessed as dissociation constant by SPR assay
50018820	9	ChEMBL_2290342	Mixed non-competitive inhibition of Leishmania infantum TryR using TS2 as substrate assessed as inhibition constant of first equilibrium by plot analysis
50018820	10	ChEMBL_2290343	Mixed non-competitive inhibition of Leishmania infantum TryR using TS2 as substrate assessed as inhibition constant of two-step induced-fit mechanism by plot analysis
50018823	1	ChEMBL_2290347	Binding affinity to recombinant FOXM1 DBD (222 to 360 residues) (unknown origin) by SPR analysis
50018824	1	ChEMBL_2290402	Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorimetric analysis
50018825	1	ChEMBL_2290428	Agonist activity at human THRalpha transfected in Huh7 cells co-transfected with luciferase reporter plasmid assessed as reduction in luciferase activity incubated for 16 hrs by Steady-Glo luciferase assay
50018825	2	ChEMBL_2290429	Agonist activity at human THRbeta transfected in Huh7 cells co-transfected with luciferase reporter plasmid assessed as reduction in luciferase activity incubated for 16 hrs by Steady-Glo luciferase assay
50018826	1	ChEMBL_2290475	Inhibition of human GST-tagged DYRK2 expressed in Escherichia coli BL21 (DE3) using woodtide as substrate in presence of [gamma33-P]ATP incubated for 30 mins by Scintillation counter analysis
50018826	2	ChEMBL_2290476	Inhibition of hexa His-tagged DYRK2 (72 to 479 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as substrate phosphorylation using 4E-BP1 as substrate in presence of [gamma33-P]ATP incubated for 2 hrs by scintillation counter analysis
50018827	1	ChEMBL_2290553	Inhibition of FGFR1 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50018827	2	ChEMBL_2290554	Inhibition of FGFR3 (unknown origin)
50018827	3	ChEMBL_2290560	Inhibition of FGFR2 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50018827	4	ChEMBL_2290561	Inhibition of FGFR3 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50018827	5	ChEMBL_2290562	Inhibition of FGFR4 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50018827	6	ChEMBL_2290572	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by automated patch clamp method
50018827	7	ChEMBL_2290575	Inhibition of human recombinant FGFR1 V561M mutant (456 to 765 residues) using GGEEEEYFELVKK as substrate incubated for 40 mins presence of [gamma-33P]-ATP by radiometric based scintillation counter assay
50018827	8	ChEMBL_2290576	Inhibition of human recombinant FGFR2 N549H mutant (456 to 770 residues) using GGEEEEYFELVKK as substrate incubated for 40 mins presence of [gamma-33P]-ATP by radiometric based scintillation counter assay
50018827	9	ChEMBL_2290578	Inhibition of FGFR3 V555M mutant (unknown origin)
50018827	10	ChEMBL_2290618	Inhibition of FGFR4 (unknown origin)
50018828	1	ChEMBL_2290625	Inhibition of human full length USP21 using Btn-Ahx-PNIRFLD-K(Ubi)-LPQQT-GD-amide as substrate preincubated for 15 to 20 mins followed by substrate addition and measured after 25 mins by HTRF assay
50018828	2	ChEMBL_2290626	Inhibition of human USP21 using ubiquitin rhodamine 110 110 as substrate preincubated for 15 to 20 mins followed by enzyme addition and measured after 25 mins by fluorometric assay
50018828	3	ChEMBL_2290627	Inhibition of human USP21 using ubiquitin aminoluciferin as substrate incubated for 25 mins by luminescence based assay
50018828	4	ChEMBL_2290629	Binding affinity to recombinant human N-terminal His6-tagged USP21 (209 to 563 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50018828	5	ChEMBL_2290654	Binding affinity to C-terminally NanoLuc HiBiT-tagged USP21 transfected in human HEK293T cells ssessed as thermal stability at 49 degreeC incubated for 1 hrs by CESTA analysis
50018828	6	ChEMBL_2290655	Inhibition of full-length human USP21 transfected in human HEK293T cells co-transfected with NF-kappaB reporter firefly luciferase plasmid assessed as NF-kappaB activation and measured after 20 hrs by dual-luciferase reporter gene assay
50018828	7	ChEMBL_2290720	Inhibition of acetyl cholinesterase (unknown origin)
50018828	8	ChEMBL_2290723	Inhibition of human PRAK
50018828	9	ChEMBL_2290725	Inhibition of human TrkA
50018828	10	ChEMBL_2290733	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysis
50018828	11	ChEMBL_2290734	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis
50018828	12	ChEMBL_2290735	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysis
50018828	13	ChEMBL_2290736	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis
50018828	14	ChEMBL_2290737	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis
50018828	15	ChEMBL_2290738	Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubation of enzyme in the presence of NADP for 30 mins by LC-MS/MS analysis
50018828	16	ChEMBL_2290739	Inhibition of human His-tagged USP2 (259 to 605 residues) using ubiquitin rhodamine 110 110 as substrate preincubated for 15 to 20 mins followed by enzyme addition and measured after 25 mins by fluorometric assay
50018829	1	ChEMBL_2290740	Inhibition of sucrase in rat small intestinal brush border membrane vesicles using sucrose as substrate incubated for 30 mins by glucose-oxidase method
50018829	2	ChEMBL_2290741	Inhibition of maltase in rat small intestinal brush border membrane vesicles using maltose as substrate incubated for 30 mins by glucose-oxidase method
50018829	3	ChEMBL_2290742	Binding affinity to maltase in rat small intestinal brush border membrane vesicles assessed as inhibition constant using maltose as substrate incubated for 30 mins by glucose-oxidase method
50018829	4	ChEMBL_2290743	Binding affinity to sucrase in rat small intestinal brush border membrane vesicles assessed as inhibition constant using sucrose as substrate incubated for 30 mins by glucose-oxidase method
50018832	1	ChEMBL_2290770	Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) assessed as inhibition constant incubated for 180 mins by competitive radioligand binding assay
50018832	2	ChEMBL_2290771	Displacement of [3H]-U69593 from kappa opioid receptor (unknown origin) assessed as inhibition constant incubated for 180 mins by competitive radioligand binding assay
50018832	3	ChEMBL_2290773	Agonist activity at HA-tagged mouse mu opioid receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by Glo Sensor assay
50018832	4	ChEMBL_2290775	Agonist activity at delta opioid receptor (unknown origin) expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by Glo Sensor assay
50018832	5	ChEMBL_2290777	Agonist activity at FLAG-tagged mouse kappa opioid receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by Glo Sensor assay
50018833	1	ChEMBL_2290791	Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 accumulation measured after 150 mins by IP1 accumulation assay
50018833	2	ChEMBL_2290795	Displacement of [3H]RX821002 from human alpha2B receptor stably expressed in HEK293T cells by Cheng-Prusoff equation analysis
50018833	3	ChEMBL_2290796	Displacement of [3H]RX821002 from human alpha2C receptor stably expressed in HEK293T cells by Cheng-Prusoff equation analysis
50018833	4	ChEMBL_2290797	Displacement of [3H]methylspiperone from human D2S receptor stably expressed in CHO cells by Cheng-Prusoff equation analysis
50018833	5	ChEMBL_2290798	Displacement of [3H]methylspiperone from human D3 receptor stably expressed in HEK293T cells by Cheng-Prusoff equation analysis
50018833	6	ChEMBL_2290799	Displacement of [3H]methylspiperone from human D2L receptor stably expressed in CHO cells by Cheng-Prusoff equation analysis
50018833	7	ChEMBL_2290800	Displacement of [3H]NMS from human M2 receptor stably expressed in HEK293T cells by Cheng-Prusoff equation analysis
50018833	8	ChEMBL_2290801	Partial agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 accumulation measured after 150 mins by IP1 accumulation assay
50018839	1	ChEMBL_2290805	Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate incubated for 30 mins by fluorescence based microplate reader assay
50018840	1	ChEMBL_2290891	Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	2	ChEMBL_2290892	Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	3	ChEMBL_2290893	Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	4	ChEMBL_2290894	Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	5	ChEMBL_2290895	Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	6	ChEMBL_2290896	Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	7	ChEMBL_2290897	Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	8	ChEMBL_2290898	Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	9	ChEMBL_2290899	Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	10	ChEMBL_2290900	Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	11	ChEMBL_2290901	Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	12	ChEMBL_2290902	Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis
50018840	13	ChEMBL_2290906	Inhibition of recombinant human CLK1 expressed in Sf9 insect cells using myelin basic protein as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay
50018840	14	ChEMBL_2290907	Inhibition of recombinant human DYRK1A expressed in Escherichia coli using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay
50018840	15	ChEMBL_2290908	Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay
50018840	16	ChEMBL_2290911	Binding affinity to human DYRK1A assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay
50018840	17	ChEMBL_2290912	Binding affinity to human CLK1 assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay
50018840	18	ChEMBL_2290913	Binding affinity to human GSK-3beta assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay
50018842	1	ChEMBL_2290924	Inhibition of Escherichia coli DNA gyrase supercoiling
50018842	2	ChEMBL_2290937	Inhibition of Staphylococcus aureus DNA gyrase supercoiling incubated for 30 mins in presence of ATP by ethidium bromide staining based analysis
50018842	3	ChEMBL_2290938	Inhibition of Staphylococcus aureus topoisomerase 4 decatenation incubated for 30 mins in presence of ATP by ethidium bromide staining based analysis
50018842	4	ChEMBL_2290941	Inhibition of Pseudomonas aeruginosa DNA gyrase supercoiling incubated for 30 mins in presence of ATP by ethidium bromide staining based analysis
50018842	5	ChEMBL_2290973	Inhibition of human DNA topoisomerase 2alpha relaxation
50018844	1	ChEMBL_2291060	Inhibition of G9a (unknown origin)
50018844	2	ChEMBL_2291061	Inhibition of GLP (unknown origin)
50018844	3	ChEMBL_2291062	Inhibition of N-terminal GST-tagged human recombinant G9a (785 to 1210 residues) expressed in baculovirus infected Sf9 cells incubated for 1 hr by AlphaLISA analysis
50018845	1	ChEMBL_2291085	Antagonist activity at CXCR3 (unknown origin) in human T cells in venous blood assessed as receptor internalization incubated for 30 mins in presence of CXCL10 by flow cytometric analysis
50018845	2	ChEMBL_2291086	Inhibition of human ERG stably expressed in CHO cells at -80 mV holding voltage by automated QPatch electrophysiological assay
50018845	3	ChEMBL_2291106	Antagonist activity at mouse CXCR3-mediated chemotaxis expressed in CD3/CD28-activated primary mouse T cells assessed as inhibition of CXCLI1 mediated cell migration incubated for 45 mins by Boyden chamber assay
50018845	4	ChEMBL_2291107	Antagonist activity at human CXCR3-mediated chemotaxis expressed in CD3/CD28-activated primary human T cells assessed as inhibition of CXCLI1 mediated cell migration incubated for 45 mins by Boyden chamber assay
50018845	5	ChEMBL_2291108	Antagonist activity at human CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL9 induced calcium flux by FLIPR method
50018845	6	ChEMBL_2291109	Antagonist activity at human CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL10 induced calcium flux by FLIPR method
50018845	7	ChEMBL_2291110	Antagonist activity at human CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL11 induced calcium flux by FLIPR method
50018845	8	ChEMBL_2291111	Antagonist activity at mouse CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL10 induced calcium flux by FLIPR method
50018845	9	ChEMBL_2291112	Antagonist activity at mouse CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL11 induced calcium flux by FLIPR method
50018845	10	ChEMBL_2291113	Antagonist activity at rat CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL10 induced calcium flux by FLIPR method
50018845	11	ChEMBL_2291114	Antagonist activity at dog CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL10 induced calcium flux by FLIPR method
50018845	12	ChEMBL_2291115	Antagonist activity at dog CXCR3 expressed in CHO-K1 cells assessed as reduction in CXCL11 induced calcium flux by FLIPR method
50018845	13	ChEMBL_2291116	Binding affinity to human CXCR3 expressed in CHO-K1 cell membrane assessed as dissociation constant using tritium-labeled ligand by FLIPR assay
50018845	14	ChEMBL_2291119	Antagonist activity at CXCR3 in DBA/1 mouse whole blood assessed as receptor internalization incubated for 30 mins in presence of CXCL10 by flow cytometric analysis
50018845	15	ChEMBL_2291120	Antagonist activity at CXCR3 in Wistar rat whole blood assessed as receptor internalization incubated for 30 mins in presence of CXCL10 by flow cytometric analysis
50018845	16	ChEMBL_2291121	Antagonist activity at CXCR3 in human whole blood assessed as receptor internalization incubated for 30 mins in presence of CXCL10 by flow cytometric analysis
50018845	17	ChEMBL_2291147	Competitive inhibition of CYP3A4 (unknown origin)
50018845	18	ChEMBL_2291148	Competitive inhibition of CYP2C9 (unknown origin)
50018845	19	ChEMBL_2291149	Competitive inhibition of CYP2D6 (unknown origin)
50018845	20	ChEMBL_2291150	Time dependent inhibition of CYP3A4 (unknown origin)
50018845	21	ChEMBL_2291151	Time dependent inhibition of CYP2C9 (unknown origin)
50018845	22	ChEMBL_2291152	Time dependent inhibition of CYP2D6 (unknown origin)
50018845	23	ChEMBL_2291203	Inhibition of human ERG K+ currents by GLP assay
50018847	1	ChEMBL_2291219	Inhibition of human C-terminal his tagged GSK3beta (26 to 383 residues) expressed in Escherichia coli using GYSI(YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE) as peptide substrate incubated for 1 hr in presence of ATP by cook activity assay
50018847	2	ChEMBL_2291220	Binding affinity to human C-terminal his tagged DYRK1A (26 to 490 residues) expressed in Escherichia coli at 5 uM by radiometric analysis
50018847	3	ChEMBL_2291222	Binding affinity to human C-terminal his tagged GSK3beta (26 to 383 residues) expressed in Escherichia coli at 200 uM by radiometric analysis
50018847	4	ChEMBL_2291223	Binding affinity to human C-terminal his tagged GSK3beta (26 to 383 residues) expressed in Escherichia coli at 12.5 uM by radiometric analysis
50018847	5	ChEMBL_2291224	Binding affinity to human C-terminal his tagged GSK3beta (26 to 383 residues) expressed in Escherichia coli at 50 uM by radiometric analysis
50018847	6	ChEMBL_2291225	Binding affinity to human C-terminal his tagged DYRK1A (26 to 490 residues) expressed in Escherichia coli assessed as apparent dissociation constant
50018847	7	ChEMBL_2291226	Binding affinity to human C-terminal his tagged GSK3beta (26 to 383 residues) expressed in Escherichia coli assessed as apparent dissociation constant
50018847	8	ChEMBL_2291227	Inhibition of human C-terminal his tagged DYRK1A (26 to 490 residues) expressed in Escherichia coli using DYRKtide (RRRFRPASPLRGPPK) as peptide substrate incubated for 1 hr in presence of ATP by cook activity assay
50018847	9	ChEMBL_2291233	Binding affinity to CK2alpha (unknown origin) assessed as dissociation constant
50018848	1	ChEMBL_2291330	Binding affinity to GST-tagged human SOS1 (564 to 1049 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as binary complex formation by measuring dissociation constant incubated for 15 mins by fluorescence polarization-based displacement assay
50018848	2	ChEMBL_2291331	Binding affinity to GST-tagged human SOS1 (564 to 1049 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as ternary complex formation by measuring dissociation constant incubated for 15 mins in the presence of 6His tagged human VCB by fluorescence polarization-based displacement assay
50018849	1	ChEMBL_2291425	Inhibition of CYP2C19 in pooled human liver microsomes using S-mephenytoin as substrate assessed as reduction in OH-S-mephenytoin metabolite formation by LC-MS/MS analysis
50018849	2	ChEMBL_2291427	Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells using Biotin-AVLESEEELYSSARQ-NH2 as substrate preincubated for 1 hrs followed by substrate addition in presence of ATP at Km concentration and measured after 1 hrs by TR-FRET assay
50018849	3	ChEMBL_2291428	Inhibition of EGFR (unknown origin) preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	4	ChEMBL_2291429	Inhibition of TEC (unknown origin) preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	5	ChEMBL_2291433	Inhibition of BTK phosphorylation at Tyr 223 residue in human Ramos cell incubated for 3 hrs by HTRF-based analysis
50018849	6	ChEMBL_2291438	Inhibition of human BTK preincubated with compound for 1 hrs followed by ATP/33P-ATP addition and measured after 2 hrs by radioactive filter-binding assay
50018849	7	ChEMBL_2291439	Inhibition of human TXK preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	8	ChEMBL_2291440	Inhibition of human NLK preincubated with compound for 1 hrs followed by ATP/33P-ATP addition and measured after 2 hrs by radioactive filter-binding assay
50018849	9	ChEMBL_2291441	Inhibition of human MYO3b preincubated with compound for 1 hrs followed by ATP/33P-ATP addition and measured after 2 hrs by radioactive filter-binding assay
50018849	10	ChEMBL_2291442	Inhibition of human EGFR preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	11	ChEMBL_2291443	Inhibition of human BLK preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	12	ChEMBL_2291444	Inhibition of human JAK3 preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	13	ChEMBL_2291445	Inhibition of human TEC preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	14	ChEMBL_2291446	Inhibition of human BMX preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	15	ChEMBL_2291447	Inhibition of human ERBB4 preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in the presence of ATP at Km concentration by TR-FRET assay
50018849	16	ChEMBL_2291456	Inhibition of EGFR autophosphorylation at Tyr1068 residue in EGFR-amplified human A-431 cells preincubated with compound for 1 hrs followed by stimulation with human recombinant EGF and measured after 10 mins by HTRF-based analysis
50018849	17	ChEMBL_2291457	Inhibition of FLAG-tagged TEC autophosphorylation in HEK293 cells incubated for 2 hrs by MSD electrochemiluminescence immunoassay
50018849	18	ChEMBL_2291485	Inhibition of CYP1A2 in pooled human liver microsomes using phenacetin as substrate assessed as reduction in acetaminophen metabolite formation by LC-MS/MS analysis
50018849	19	ChEMBL_2291486	Inhibition of CYP2B6 in pooled human liver microsomes using bupropion as substrate assessed as reduction in OH-bupropion metabolite formation by LC-MS/MS analysis
50018849	20	ChEMBL_2291487	Inhibition of CYP2C8 in pooled human liver microsomes using amodiaquine as substrate assessed as reduction in N-desethylamodiaquine metabolite formation by LC-MS/MS analysis
50018849	21	ChEMBL_2291488	Inhibition of CYP2C9 in pooled human liver microsomes using diclofenac as substrate assessed as reduction in OH-diclofenac metabolite formation by LC-MS/MS analysis
50018849	22	ChEMBL_2291489	Inhibition of CYP2D6 in pooled human liver microsomes using dextromethorphan as substrate assessed as reduction in dextrophan metabolite formation by LC-MS/MS analysis
50018849	23	ChEMBL_2291490	Inhibition of CYP3A4 in pooled human liver microsomes using midazolam as substrate assessed as reduction in OH-midazolam metabolite formation by LC-MS/MS analysis
50018849	24	ChEMBL_2291491	Inhibition of CYP3A4 in pooled human liver microsomes using testosterone as substrate assessed as reduction in 6-OH-testosterone metabolite formation by LC-MS/MS analysis
50018852	1	ChEMBL_2291520	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50018852	2	ChEMBL_2291521	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50018852	3	ChEMBL_2291522	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes assessed as inhibition constant by competitive binding assay
50018852	4	ChEMBL_2291523	Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane assessed as inhibition constant by competitive binding assay
50018852	5	ChEMBL_2291524	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes assessed as inhibition constant by Wallac 1450 MicroBeta liquid scintillation counter
50018852	6	ChEMBL_2291525	Displacement of [3H]RHM-1 from sigma 2 receptor in Wistar Han rat liver membrane assessed as inhibition constant by competitive binding assay
50018852	7	ChEMBL_2291526	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant incubated for 120 mins
50018852	8	ChEMBL_2291527	Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane assessed as inhibition constant incubated for 120 mins
50018852	9	ChEMBL_2291531	Displacement of (+)-pentazocine from sigma 1 receptor in human MCF7 cells assessed as dissociation constant in presence of DTG incubated for 120 mins by saturation binding assay
50018852	10	ChEMBL_2291532	Displacement of (+)-pentazocine from sigma 1 receptor in human MCF7 cells assessed as dissociation constant in presence of 2-(3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one incubated for 120 mins by saturation binding assay
50018852	11	ChEMBL_2291535	Binding affinity to sigma 2 receptor in human MCF7 cells assessed as displacement of compound by measuring inhibition constant of DTG incubated for 120 mins by saturation binding assay
50018852	12	ChEMBL_2291536	Binding affinity to sigma 2 receptor in human MCF7 cells assessed as displacement of compound by measuring inhibition constant of 2-(3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-5-methoxy-3,4-dihydroisoquinolin-1(2H)-one incubated for 120 mins by saturation binding assay
50018853	1	ChEMBL_2291539	Inhibition of GSK3-beta (unknown origin)
50018853	2	ChEMBL_2291541	Inhibition of full length GST-tagged human recombinant GSK3-alpha using FL-KRREILSRRP[ps]ERYR-NH2 as substrate incubated for 20 hrs
50018853	3	ChEMBL_2291542	Inhibition of tau 4R1N phosphorylation (unknown origin) at S396 residue transfected in human U2OS cells coexpressing GFP-tagged beta catenin incubated overnight by high content imaging assay
50018853	4	ChEMBL_2291543	Inhibition of CDK2 (unknown origin)
50018853	5	ChEMBL_2291545	Inhibition of CDK5 (unknown origin)
50018853	6	ChEMBL_2291547	Inhibition of AAK1 (unknown origin)
50018853	7	ChEMBL_2291548	Inhibition of PIM1 (unknown origin)
50018853	8	ChEMBL_2291549	Inhibition of PKCtheta (unknown origin)
50018853	9	ChEMBL_2291576	Inhibition of IRAK1 (unknown origin)
50018853	10	ChEMBL_2291577	Inhibition of IRAK4 (unknown origin)
50018853	11	ChEMBL_2291578	Inhibition of Aurora B (unknown origin)
50018853	12	ChEMBL_2291579	Inhibition of BMX (unknown origin)
50018853	13	ChEMBL_2291580	Inhibition of BTK (unknown origin)
50018853	14	ChEMBL_2291581	Inhibition of CK2A1 (unknown origin)
50018853	15	ChEMBL_2291582	Inhibition of CK2A2 (unknown origin)
50018853	16	ChEMBL_2291583	Inhibition of ITK (unknown origin)
50018853	17	ChEMBL_2291584	Inhibition of JAK1 (unknown origin)
50018853	18	ChEMBL_2291585	Inhibition of JAK2 (unknown origin)
50018853	19	ChEMBL_2291586	Inhibition of LCK (unknown origin)
50018853	20	ChEMBL_2291587	Inhibition of LynA (unknown origin)
50018853	21	ChEMBL_2291588	Inhibition of p38alpha (unknown origin)
50018853	22	ChEMBL_2291589	Inhibition of SYK (unknown origin)
50018853	23	ChEMBL_2291590	Inhibition of TEC (unknown origin)
50018853	24	ChEMBL_2291591	Inhibition of TXK (unknown origin)
50018853	25	ChEMBL_2291592	Inhibition of TYK2 (unknown origin)
50018853	26	ChEMBL_2291593	Inhibition of cKIT (unknown origin)
50018853	27	ChEMBL_2291594	Inhibition of IGF1R (unknown origin)
50018853	28	ChEMBL_2291595	Inhibition of mouse AURA
50018853	29	ChEMBL_2291596	Inhibition of MK2 (unknown origin)
50018853	30	ChEMBL_2291597	Inhibition of PDGFRbeta (unknown origin)
50018853	31	ChEMBL_2291598	Inhibition of RSK1 (unknown origin)
50018855	1	ChEMBL_2291606	Binding affinity to Pseudomonas aeruginosa LecA assessed as change in enthalpy
50018855	2	ChEMBL_2291607	Binding affinity to Pseudomonas aeruginosa LecA assessed as change in entropy
50018855	3	ChEMBL_2291608	Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constant
50018856	1	ChEMBL_2291623	Activation of cGAMP-STING signaling pathway in human THP-1 cells assessed as increase in ISRE activation by measuring luciferase activation in presence of cGAMP by luciferase reporter gene assay
50018857	1	ChEMBL_2291655	Binding affinity to Escherichia coli TrmD by surface plasmon resonance assay
50018857	2	ChEMBL_2291656	Inhibition of Escherichia coli TrmD
50018858	1	ChEMBL_2291728	Displacement of [125I]-Angiotensin II from Angiotensin II type-1 receptor in VSMC cells (unknown origin) by competition radioligand binding assay
50018858	2	ChEMBL_2291729	Displacement of [125I]-Angiotensin II from Angiotensin II type-1 receptor in VSMC cells (unknown origin) assessed as inhibition constant by competition radioligand binding assay
50018859	1	ChEMBL_2291802	Inhibition of TMPRSS2 (247 to 492 residues) (unknown origin) peptidase domain expressed in Escherichia coli BL21 (DE3) incubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based microscopic analysis
50018859	2	ChEMBL_2291807	Inhibition of TMPRSS2 (106 to 492 residues) (unknown origin) using Boc-QAR-AMC as substrate measured for 20 mins by spectrophotometer analysis
50018860	1	ChEMBL_2291808	Inhibition of BMPR2 (unknown origin) assessed as dissociation constant
50018860	2	ChEMBL_2291809	Inhibition of BMPR2 (unknown origin)
50018860	3	ChEMBL_2291810	Inhibition of ALK2 (unknown origin)
50018860	4	ChEMBL_2291811	Inhibition of ALK3 (unknown origin)
50018860	5	ChEMBL_2291812	Inhibition of ALK6 (unknown origin)
50018860	6	ChEMBL_2291813	Inhibition of ALK5 (unknown origin) assessed as dissociation constant
50018860	7	ChEMBL_2291817	Inhibition of BMPR2 (unknown origin) assessed as dissociation constant by ITC assay
50018860	8	ChEMBL_2291820	Inhibition of BMPR2 (174 to end residues) (unknown origin) using MBP as substrate incubated for 60 mins in presence of ATP by ADP Glo assay
50018860	9	ChEMBL_2291821	Inhibition of N-terminal NanoLuc-fused full length GSK3A (unknown origin) transfected in HEK293T cells incubated for 2 hrs in presence of tracer K8 by NanoBRET assay
50018860	10	ChEMBL_2291822	Inhibition of N-terminal NanoLuc-fused full length intact GSK3B (unknown origin) transfected in HEK293T cells incubated for 2 hrs in presence of tracer K8 by NanoBRET assay
50018860	11	ChEMBL_2291823	Inhibition of N-terminal NanoLuc-fused full length lysed GSK3B (unknown origin) transfected in HEK293T cells incubated for 2 hrs in presence of tracer K8 by NanoBRET assay
50018860	12	ChEMBL_2291844	Binding affinity to recombinant GSK3B (unknown origin) assessed as dissociation constant by DSF assay
50018860	13	ChEMBL_2291845	Binding affinity to recombinant BMP2K (unknown origin) assessed as dissociation constant by DSF assay
50018860	14	ChEMBL_2291846	Binding affinity to recombinant BMPR2 (unknown origin) assessed as dissociation constant by DSF assay
50018860	15	ChEMBL_2291847	Binding affinity to recombinant FLT1 (unknown origin) assessed as dissociation constant by DSF assay
50018860	16	ChEMBL_2291848	Binding affinity to recombinant MARK3 (unknown origin) assessed as dissociation constant by DSF assay
50018860	17	ChEMBL_2291849	Binding affinity to recombinant MARK4 (unknown origin) assessed as dissociation constant by DSF assay
50018860	18	ChEMBL_2291850	Binding affinity to recombinant MAPK15 (unknown origin) assessed as dissociation constant by DSF assay
50018860	19	ChEMBL_2291851	Binding affinity to recombinant CDK2 (unknown origin) assessed as dissociation constant by DSF assay
50018860	20	ChEMBL_2291852	Binding affinity to recombinant STK4 (unknown origin) assessed as dissociation constant by DSF assay
50018860	21	ChEMBL_2291853	Binding affinity to recombinant MST3 (unknown origin) assessed as dissociation constant by DSF assay
50018860	22	ChEMBL_2291854	Binding affinity to recombinant MERTK (unknown origin) assessed as dissociation constant by DSF assay
50018862	1	ChEMBL_2291860	Inhibition of human recombinant carbonic anhydrase 1 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50018862	2	ChEMBL_2291861	Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50018862	3	ChEMBL_2291862	Inhibition of human recombinant carbonic anhydrase 9 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50018862	4	ChEMBL_2291863	Inhibition of human recombinant carbonic anhydrase 12 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50018863	1	ChEMBL_2291890	Inhibition of human KRAS G12D mutant in human AGS cells assessed as reduction in phosphorylated ERK level incubated for 3 hrs
50018864	1	ChEMBL_2291912	Inhibition of human Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inhibition of channel current incubated for 5.5 mins by high-throughput electrophysiology system analysis
50018864	2	ChEMBL_2291913	Inhibition of mouse Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inhibition of channel current incubated for 5.5 mins by high-throughput electrophysiology system analysis
50018864	3	ChEMBL_2291915	Inhibition of human Nav1.1/beta1/2 transfected in HEK293-A cells assessed as inhibition of channel current incubated for 5.5 mins by high-throughput electrophysiology system analysis
50018864	4	ChEMBL_2291916	Inhibition of human Nav1.5/beta1/2 transfected in HEK293-A cells assessed as inhibition of channel current incubated for 5.5 mins by high-throughput electrophysiology system analysis
50018865	1	ChEMBL_2291943	Agonist activity at human PPARalpha incubated for 22 to 24 hrs by luciferase assay
50018866	1	ChEMBL_2292001	Inhibition of full-length human DNMT2 expressed in bacteria using tRNA-Asp as substrate and 3H-SAM as cosubstrate by tritium incorporation assay
50018866	2	ChEMBL_2292004	Displacement of FTAD from full-length human DNMT2 expressed in Escherichia coli incubated for 10 mins by MST assay
50018866	3	ChEMBL_2292005	Displacement of FTAD from full-length human DNMT2 expressed in bacteria incubated for 10 mins by MST assay
50018866	4	ChEMBL_2292006	Binding affinity to full-length human DNMT2 expressed in bacteria assessed as apparent dissociation constant by ITC method
50018866	5	ChEMBL_2292016	Inhibition of human DNMT2 by tritium incorporation assay
50018867	1	ChEMBL_2292018	Agonist activity at EGFP-tagged human AhR transfected in HEK293 cells assessed as induction of nuclear translocation incubated for 45 mins by fluorescence based assay
50018868	1	ChEMBL_2292019	Inhibition of GSK3B (unknown origin)
50018868	2	ChEMBL_2292020	Inhibition of JAK1/TYK2 in human M07E cells assessed as reduction of IFN alpha stimulated STAT phosphorylation preincubated for 30 mins followed by IFN alpha stimulation for 15 mins by flow cytometry method
50018868	3	ChEMBL_2292021	Inhibition of JAK1/JAK3 in human blood assessed as reduction of IL-2 stimulated STAT phosphorylation preincubated for 30 mins followed by IL-2 stimulation for 15 mins by flow cytometry method
50018868	4	ChEMBL_2292023	Inhibition of GST-fused JAK1 (866 to 1154 residues) (unknown origin) using FITC-AhxKKSRGDYMTMQIG-NH2 peptide as substrate incubated for 60 mins in presence of ATP by Janus kinase assay
50018868	5	ChEMBL_2292024	Inhibition of GST-fused JAK2 (808 to 1132 residues) (unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 60 mins in presence of ATP by Janus kinase assay
50018868	6	ChEMBL_2292025	Inhibition of GST-fused JAK3 (811 to 1124 residues) (unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 60 mins in presence of ATP by Janus kinase assay
50018868	7	ChEMBL_2292026	Inhibition of GST-fused Tyk2 (888 to 1187 residues) (unknown origin) using FITC-AhxKKSRGDYMTMQIG-NH2 peptide as substrate incubated for 60 mins in presence of ATP by Janus kinase assay
50018868	8	ChEMBL_2292027	Inhibition of JAK1/JAK3 in human M07E cells assessed as reduction of IL-15 stimulated STAT phosphorylation preincubated for 30 mins followed by IL-15 stimulation for 15 mins by flow cytometry method
50018868	9	ChEMBL_2292028	Inhibition of KDR (unknown origin)
50018868	10	ChEMBL_2292029	Inhibition of AuroraA (unknown origin)
50018868	11	ChEMBL_2292030	Inhibition of IRAK4 (unknown origin)
50018868	12	ChEMBL_2292031	Inhibition of FLT3 (unknown origin)
50018868	13	ChEMBL_2292032	Inhibition of STK4 (unknown origin)
50018868	14	ChEMBL_2292033	Inhibition of LCK (unknown origin)
50018869	1	ChEMBL_2292037	Inhibition of NEK1 (unknown origin) assessed as dissociation constant
50018869	2	ChEMBL_2292038	Inhibition of NEK2 (unknown origin) assessed as dissociation constant
50018869	3	ChEMBL_2292039	Inhibition of NEK3 (unknown origin) assessed as dissociation constant
50018869	4	ChEMBL_2292040	Inhibition of NEK4 (unknown origin) assessed as dissociation constant
50018869	5	ChEMBL_2292041	Inhibition of NEK5 (unknown origin) assessed as dissociation constant
50018869	6	ChEMBL_2292042	Inhibition of NEK6 (unknown origin) assessed as dissociation constant
50018869	7	ChEMBL_2292043	Inhibition of NEK7 (unknown origin) assessed as dissociation constant
50018869	8	ChEMBL_2292044	Inhibition of NEK9 (unknown origin) assessed as dissociation constant
50018869	9	ChEMBL_2292045	Inhibition of NEK11 (unknown origin) assessed as dissociation constant
50018869	10	ChEMBL_2292056	Inhibition of NEK9 (unknown origin)
50018869	11	ChEMBL_2292067	Inhibition of NEK4 (unknown origin)
50018869	12	ChEMBL_2292068	Inhibition of NEK2 (unknown origin)
50018869	13	ChEMBL_2292069	Inhibition of CDK2 (unknown origin)
50018869	14	ChEMBL_2292070	Inhibition of human NEK2
50018869	15	ChEMBL_2292071	Inhibition of PERK (unknown origin)
50018869	16	ChEMBL_2292072	Inhibition of JNK1 (unknown origin)
50018869	17	ChEMBL_2292073	Inhibition of JNK2 (unknown origin)
50018869	18	ChEMBL_2292074	Inhibition of JNK3 (unknown origin)
50018869	19	ChEMBL_2292075	Inhibition of FGFR3 (unknown origin) assessed as dissociation constant
50018869	20	ChEMBL_2292076	Inhibition of BMX (unknown origin) assessed as dissociation constant
50018869	21	ChEMBL_2292078	Inhibition of MAP3K8 (unknown origin)
50018869	22	ChEMBL_2292088	Inhibition of NEK10 (unknown origin) assessed as dissociation constant
50018869	23	ChEMBL_2292099	Inhibition of TIE2 (unknown origin) assessed as dissociation constant
50018869	24	ChEMBL_2292100	Inhibition of YSK4 (unknown origin) assessed as dissociation constant
50018871	1	ChEMBL_2292104	Inhibition of human recombinant GST-fused VEGFR3 kinase domain transphosphorylation expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counting analysis
50018871	2	ChEMBL_2292105	Inhibition of human recombinant GST-fused VEGFR1 kinase domain transphosphorylation expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counting analysis
50018871	3	ChEMBL_2292106	Inhibition of mouse recombinant GST-fused VEGFR2 kinase domain expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counting analysis
50018871	4	ChEMBL_2292107	Inhibition of VEGF-induced human VEGFR2 autophosphorylation transfected in CHO cells measured after 2 hrs by chemiluminescence assay
50018871	5	ChEMBL_2292108	Inhibition of human recombinant GST-fused VEGFR2 kinase domain transphosphorylation expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counting analysis
50018871	6	ChEMBL_2292112	Inhibition of human recombinant GST-fused c-KIT expressed in baculovirus expression system using poly-Glu-Tyr (4:1) as substrate measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counting analysis
50018871	7	ChEMBL_2292121	Inhibition of RET (unknown origin) autophosphorylation expressed in mouse NIH3T3 cells by ELISA-based assay
50018871	8	ChEMBL_2292136	Inhibition of VEGF-induced human VEGFR2 autophosphorylation expressed in HUVEC cells measured after 2 hrs by chemiluminescence assay
50018871	9	ChEMBL_2292137	Inhibition of VEGF-induced human VEGFR2 autophosphorylation transfected in CHO cells by chemiluminescence assay
50018871	10	ChEMBL_2292138	Inhibition of PDGFR (unknown origin) autophosphorylation expressed in mouse BALB/3T3 clone A31 cells by ELISA-based assay
50018871	11	ChEMBL_2292139	Inhibition of KIT K642E mutant (unknown origin) autophosphorylation expressed in human GIST882 cells by ELISA-based assay
50018871	12	ChEMBL_2292140	Inhibition of EGFR (unknown origin) autophosphorylation expressed in human A-431 cells by ELISA-based assay
50018871	13	ChEMBL_2292141	Inhibition of ERBB2 (unknown origin) autophosphorylation expressed in human BT-474 cells by ELISA-based assay
50018871	14	ChEMBL_2292142	Inhibition of INSR (unknown origin) autophosphorylation expressed in human A14 cells by ELISA-based assay
50018871	15	ChEMBL_2292143	Inhibition of IGF1R (unknown origin) autophosphorylation expressed in human NWT-21 cells by ELISA-based assay
50018871	16	ChEMBL_2292144	Inhibition of BCR-ABL (unknown origin) autophosphorylation expressed in mouse 32D cells by ELISA-based assay
50018872	1	ChEMBL_2292220	Inhibition of PIM1 (unknown origin) by Ambit kinase assay
50018872	2	ChEMBL_2292221	Inhibition of PKC theta type (unknown origin) by Ambit kinase assay
50018872	3	ChEMBL_2292222	Inhibition of RSK1 (unknown origin) by Ambit kinase assay
50018872	4	ChEMBL_2292223	Inhibition of SYK (unknown origin) by Ambit kinase assay
50018872	5	ChEMBL_2292225	Inhibition of FMS (unknown origin) by Ambit kinase assay
50018872	6	ChEMBL_2292226	Inhibition of JAK3 (unknown origin) by Ambit kinase assay
50018872	7	ChEMBL_2292227	Inhibition of ROCK1 (unknown origin) by Ambit kinase assay
50018872	8	ChEMBL_2292228	Inhibition of ROCK2 mutant (unknown origin) by Ambit kinase assay
50018872	9	ChEMBL_2292229	Inhibition of SRMS (unknown origin) by Ambit kinase assay
50018872	10	ChEMBL_2292230	Inhibition of TRKA (unknown origin) by Ambit kinase assay
50018872	11	ChEMBL_2292231	Inhibition of TRKB (unknown origin) by Ambit kinase assay
50018872	12	ChEMBL_2292232	Inhibition of TYK2 (0 to 887 residues) (unknown origin) by Ambit kinase assay
50018872	13	ChEMBL_2292233	Inhibition of ACK (unknown origin) by Ambit kinase assay
50018872	14	ChEMBL_2292234	Inhibition of CK1D (unknown origin) by Ambit kinase assay
50018872	15	ChEMBL_2292235	Inhibition of STK33 (unknown origin) by Ambit kinase assay
50018872	16	ChEMBL_2292236	Inhibition of ZAP70 (unknown origin) by Ambit kinase assay
50018872	17	ChEMBL_2292237	Inhibition of CSK (unknown origin) by Ambit kinase assay
50018872	18	ChEMBL_2292238	Inhibition of BMX (unknown origin) by Ambit kinase assay
50018872	19	ChEMBL_2292239	Inhibition of IRAK1 (unknown origin) by Ambit kinase assay
50018872	20	ChEMBL_2292241	Inhibition of IKK2 (unknown origin) by Ambit kinase assay
50018872	21	ChEMBL_2292242	Inhibition of JAK1 (unknown origin) by Ambit kinase assay
50018872	22	ChEMBL_2292243	Inhibition of CAL (unknown origin) by Ambit kinase assay
50018872	23	ChEMBL_2292244	Inhibition of PDGFRB (unknown origin) by Ambit kinase assay
50018872	24	ChEMBL_2292245	Inhibition of MAPK14 (unknown origin) by Ambit kinase assay
50018872	25	ChEMBL_2292246	Inhibition of MK2 (unknown origin) by Ambit kinase assay
50018872	26	ChEMBL_2292247	Inhibition of mouse Aurora kinase A by Ambit kinase assay
50018872	27	ChEMBL_2292248	Inhibition of IGF1R (unknown origin) by Ambit kinase assay
50018872	28	ChEMBL_2292250	Inhibition of cKIT (unknown origin) by Ambit kinase assay
50018872	29	ChEMBL_2292251	Inhibition of wild type ABL (unknown origin) by Ambit kinase assay
50018872	30	ChEMBL_2292252	Inhibition of CDK5/p25 (unknown origin) by Ambit kinase assay
50018872	31	ChEMBL_2292253	Inhibition of TYK2 (unknown origin) by Ambit kinase assay
50018872	32	ChEMBL_2292254	Inhibition of JNK1 (unknown origin) by Ambit kinase assay
50018872	33	ChEMBL_2292255	Inhibition of LCK (unknown origin) by Ambit kinase assay
50018872	34	ChEMBL_2292256	Inhibition of JAK2 (unknown origin) by Ambit kinase assay
50018872	35	ChEMBL_2292257	Inhibition of CK2A2 (unknown origin) by Ambit kinase assay
50018872	36	ChEMBL_2292258	Inhibition of IRAK4 (unknown origin) by Ambit kinase assay
50018872	37	ChEMBL_2292259	Inhibition of CDK2 (unknown origin) by Ambit kinase assay
50018872	38	ChEMBL_2292260	Inhibition of Aurora-B (unknown origin) by Ambit kinase assay
50018872	39	ChEMBL_2292261	Inhibition of BTK (unknown origin) by Ambit kinase assay
50018872	40	ChEMBL_2292266	Inhibition of human ERG by flux assay
50018872	41	ChEMBL_2292267	Inhibition of CYP450 (unknown origin)
50018872	42	ChEMBL_2292282	Inhibition of TTBK2 (unknown origin) by Ambit kinase assay
50018872	43	ChEMBL_2292283	Inhibition of TTBK1 (unknown origin) by Ambit kinase assay
50018872	44	ChEMBL_2292284	Inhibition of MARK4 (unknown origin) by Ambit kinase assay
50018872	45	ChEMBL_2292285	Inhibition of MARK3 (unknown origin) by Ambit kinase assay
50018872	46	ChEMBL_2292286	Inhibition of MARK2 (unknown origin) by Ambit kinase assay
50018872	47	ChEMBL_2292287	Inhibition of MARK1 (unknown origin) by Ambit kinase assay
50018872	48	ChEMBL_2292288	Inhibition of FYN (unknown origin) by Ambit kinase assay
50018872	49	ChEMBL_2292289	Inhibition of TNIK (unknown origin) by Ambit kinase assay
50018872	50	ChEMBL_2292290	Inhibition of TEC (unknown origin) by Ambit kinase assay
50018872	51	ChEMBL_2292292	Inhibition of ITK (unknown origin) by Ambit kinase assay
50018872	53	ChEMBL_2292294	Inhibition of GST tagged GSK-3alpha (unknown origin) incubated for 1 hrs by HTRF assay
50018872	54	ChEMBL_2292295	Inhibition of GST tagged GSK-3beta (unknown origin) incubated for 1 hrs by HTRF assay
50018872	55	ChEMBL_2292296	Inhibition of human GSK-3beta using peptide substrate after 45 mins in presence of ATP by Kinase-Glo luminescence assay
50018872	56	ChEMBL_2292297	Inhibition of GSK-3beta (unknown origin) in presence of ATP
50018872	57	ChEMBL_2292298	Inhibition of recombinant human GSK-3 alpha expressed in baculovirus infected Sf9 insect cells using GS-2 peptide after 30 mins in presence of [33P]gamma-ATP by microbeta scintillation counting analysis
50018873	1	ChEMBL_2292304	Binding affinity to wild-type HIV1 protease expressed in Escherichia coli by fluorometric assay
50018873	2	ChEMBL_2292308	Binding affinity to HIV1 recombinant wild type protease expressed in Escherichia coli BL21(DE3) assessed as inhibition constant
50018873	3	ChEMBL_2292309	Binding affinity to HIV1 protease assessed as inhibition constant using Val-Ser-Gln-Asn-betaNal-Pro-Ile-Val as substrate by HPLC method
50018873	4	ChEMBL_2292310	Binding affinity to HIV1 protease assessed as inhibition constant
50018873	5	ChEMBL_2292351	Binding affinity to wild-type HIV1 protease expressed in Escherichia coli BL21(DE3) assessed as inhibition constant using (2-aminobenzoyl)Thr-Ile-Nle-(p-nitro)Phe-Gln-Arg peptide as substrate preincubated for 15 mins followed by substrate addition by fluorimeter analysis
50018873	6	ChEMBL_2292353	Inhibition of recombinant wildtype HIV1 Protease using Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg peptide as substrate
50018873	7	ChEMBL_2292354	Inhibition of recombinant HIV1 Protease using Abz-Thr-Ile-Nle-(p-nitro)-Phe-Gln-Arg-NH2 peptide as substrate
50018873	8	ChEMBL_2292355	Inhibition of recombinant HIV1 Protease
50018873	9	ChEMBL_2292359	Inhibition of recombinant HIV1 Protease using His-Lys-Ala-Arg-Val-Leu-(pNO2-Phe)-Glu-Ala-Nle-SerNH2 peptide as substrate
50018875	1	ChEMBL_2292360	Displacement of biotinylated JQ1 from BRD9 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	2	ChEMBL_2292361	Binding affinity to PCAF bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	3	ChEMBL_2292362	Binding affinity to BRPF1 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	4	ChEMBL_2292363	Binding affinity to BRD9 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	5	ChEMBL_2292364	Binding affinity to CBP bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	6	ChEMBL_2292365	Displacement of biotinylated JQ1 from BRD8 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	7	ChEMBL_2292366	Displacement of biotinylated JQ1 from TRIM24 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	8	ChEMBL_2292367	Displacement of biotinylated JQ1 from ATAD2 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	9	ChEMBL_2292368	Displacement of biotinylated JQ1 from BRG1 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	10	ChEMBL_2292369	Displacement of biotinylated JQ1 from PCAF bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	11	ChEMBL_2292370	Displacement of biotinylated JQ1 from BRPF1 bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	12	ChEMBL_2292389	Inhibition of BRD4 BD1 in human Raji cells assessed as reduction of MYC RNA expression after 4 hrs by PCR analysis
50018875	13	ChEMBL_2292390	Displacement of biotinylated JQ1 from BRD4 BD1 (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	14	ChEMBL_2292400	Inhibition of BRD4 BD1 in human MV4-11 cells assessed as reduction of MYC RNA expression after 4 hrs by PCR analysis
50018875	15	ChEMBL_2292401	Inhibition of BRD4 BD1 (unknown origin) using biotinylated ligand incubated for 60 mins by TR-FRET assay
50018875	16	ChEMBL_2292433	Displacement of biotinylated JQ1 from CBP bromodomain (unknown origin) incubated for 20 mins by AlphaLISA assay
50018875	17	ChEMBL_2292434	Binding affinity to BRG1 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	18	ChEMBL_2292435	Binding affinity to ATAD2 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	19	ChEMBL_2292436	Binding affinity to TRIM24 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018875	20	ChEMBL_2292437	Binding affinity to BRD8 bromodomain (unknown origin) incubated for 60 mins by TR-FRET assay
50018876	1	ChEMBL_2292473	Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO-K1 cells incubated for 1 hr by 1450 microbeta scintillation counter analysis
50018876	2	ChEMBL_2292478	Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as ERK phosphorylation incubated for 2 hrs by Alphascreen surefire method
50018876	3	ChEMBL_2292479	Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production incubated for 30 mins by LANCE cAMP assay
50018877	1	ChEMBL_2292558	Binding affinity to PSMA in human LNCaP cells after 45 mins in presence of 68Ga-labeled PSMA-10 by gamma counting assay
50018878	1	ChEMBL_2292574	Agonist activity at GPBAR1 in human NCI-H716 cells
50018878	2	ChEMBL_2292575	Inhibition of human HSL
50018878	3	ChEMBL_2292576	Inhibition of full-length recombinant human PDE10A by scintillation proximity assay
50018878	4	ChEMBL_2292578	Inhibition of FABP4 (unknown origin) assessed as inhibition constant
50018878	5	ChEMBL_2292579	Inhibition of FABP5 (unknown origin) assessed as inhibition constant
50018878	6	ChEMBL_2292580	Inhibition of FABP3 (unknown origin) assessed as inhibition constant
50018879	1	ChEMBL_2292632	Inhibition of human PI3K-delta using PIP2 as substrate in presence of gamma[32P]ATP
50018879	2	ChEMBL_2292633	Inhibition of recombinant PI3K p110alpha/p85 (unknown origin) incubated for 1 hr in presence of gamma[33P]ATP by scintillation counting analysis
50018879	3	ChEMBL_2292634	Inhibition of mTOR (unknown origin) incubated for 1 hr in presence of gamma[33P]ATP by liquid scintillation counting analysis
50018879	4	ChEMBL_2292635	Inhibition of PI3K-p110alpha (unknown origin) incubated for 30 mins by fluorescence polarization assay
50018879	5	ChEMBL_2292637	Inhibition of CDK2/Cyclin E (unknown origin) using histone as substrate incubated for 30 mins in presence of gamma[33P]ATP by digital imaging analysis
50018879	6	ChEMBL_2292638	Inhibition of PI3K-delta (unknown origin)
50018879	7	ChEMBL_2292639	Inhibition of mTOR (unknown origin)
50018879	8	ChEMBL_2292640	Inhibition of JAK (unknown origin)
50018879	9	ChEMBL_2292641	Inhibition of SYK (unknown origin) using biotinylated EDPDYEWPSA as substrate incubated for 30 mins in presence of 33P-ATP by Scintillation Proximity Assay
50018879	10	ChEMBL_2292642	Inhibition of human CDK2/cyclinA using histone H1 as substrate incubated for 30 mins in presence of gamma[32P]ATP by phosphoimaging analysis
50018879	11	ChEMBL_2292645	Inhibition of human CDK2
50018880	1	ChEMBL_2292649	Inhibition of recombinant Escherichia coli MraY by fluorescence based analysis
50018880	2	ChEMBL_2292651	Inhibition of Bacillus subtilis MraY
50018880	3	ChEMBL_2292652	Inhibition of Mycobacterium smegmatis ATCC 607 WecA
50018880	4	ChEMBL_2292655	Inhibition of MraY in Escherichia coli
50018881	1	ChEMBL_2292661	Inhibition of Staphylococcus aureus DNA topoisomerase 4 decatenation activity
50018881	2	ChEMBL_2292663	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity
50018881	3	ChEMBL_2292664	Inhibition of Escherichia coli DNA gyrase supercoiling activity
50018881	4	ChEMBL_2292666	Inhibition of Escherichia coli DNA gyrase ATPase activity assessed as decrease in release of inorganic phosphate using kinetoplast DNA as substrate incubated for 1 hr by malachite green dye based colorimetric assay
50018881	5	ChEMBL_2292667	Inhibition of Staphylococcus aureus DNA topoisomerase 4 decatenation activity using kinetoplast DNA as substrate after 30 mins in presence of potassium glutamate by fluorescence assay
50018881	6	ChEMBL_2292668	Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using relaxed pBR322 DNA as substrate after 30 mins in presence of potassium glutamate by fluorescence assay
50018881	7	ChEMBL_2292670	Inhibition of Escherichia coli DNA gyrase supercoiling activity using relaxed pBR322 DNA as substrate after 30 mins by fluorescence assay
50018881	8	ChEMBL_2292671	Inhibition of Escherichia coli DNA gyrase ATPase activity
50018882	1	ChEMBL_2292697	Inhibition of HDAC1 (unknown origin)
50018882	2	ChEMBL_2292698	Inhibition of HDAC2 (unknown origin)
50018882	3	ChEMBL_2292699	Inhibition of HDAC3 (unknown origin)
50018882	4	ChEMBL_2292700	Inhibition of HDAC4 (unknown origin)
50018882	5	ChEMBL_2292701	Inhibition of HDAC5 (unknown origin)
50018882	6	ChEMBL_2292702	Inhibition of HDAC6 (unknown origin)
50018882	7	ChEMBL_2292703	Inhibition of HDAC7 (unknown origin)
50018882	8	ChEMBL_2292704	Inhibition of HDAC8 (unknown origin)
50018882	9	ChEMBL_2292705	Inhibition of HDAC9 (unknown origin)
50018882	10	ChEMBL_2292706	Inhibition of HDAC (unknown origin)
50018882	11	ChEMBL_2292707	Inhibition of HDAC10 (unknown origin)
50018882	12	ChEMBL_2292708	Inhibition of HDAC11 (unknown origin)
50018882	13	ChEMBL_2292709	Inhibition of AR (unknown origin)
50018883	1	ChEMBL_2292737	Inhibition of PPIL1 (unknown origin)
50018883	2	ChEMBL_2292738	Binding affinity to FKBP51 (unknown origin)
50018883	3	ChEMBL_2292739	Binding affinity to FKBP52 (unknown origin)
50018883	4	ChEMBL_2292740	Binding affinity to FKBP12 (unknown origin)
50018883	5	ChEMBL_2292742	Binding affinity to CypA (unknown origin)
50018883	6	ChEMBL_2292743	Binding affinity to CypD (unknown origin)
50018883	7	ChEMBL_2292744	Inhibition of CypA (unknown origin)
50018883	8	ChEMBL_2292745	Inhibition of CypB (unknown origin)
50018883	9	ChEMBL_2292746	Inhibition of CypC (unknown origin)
50018883	10	ChEMBL_2292747	Inhibition of CypD (unknown origin)
50018883	11	ChEMBL_2292748	Inhibition of Pin1 (unknown origin)
50018883	12	ChEMBL_2292749	Binding affinity to CypB (unknown origin)
50018883	13	ChEMBL_2292750	Binding affinity to Pin1 (unknown origin)
50018883	14	ChEMBL_2292751	Binding affinity to wild type FKBP51 (unknown origin) by competitive fluorescence polarization assay
50018883	15	ChEMBL_2292752	Binding affinity to FKBP52 (unknown origin) by competitive fluorescence polarization assay
50018884	1	ChEMBL_2292755	Inhibition of human EGFR L858R mutant phosphorylation in human NSCLC cells
50018885	1	ChEMBL_2292763	Inhibition of human recombinant PARP-1
50018885	2	ChEMBL_2292764	Inhibition of mouse recombinant PARP-2
50018885	3	ChEMBL_2292765	Inhibition of human PARP-1
50018885	4	ChEMBL_2292766	Inhibition of human full-length recombinant PARP-1
50018885	5	ChEMBL_2292768	Inhibition of PARP-1 (unknown origin)
50018885	6	ChEMBL_2292769	Inhibition of PARP-2 (unknown origin)
50018885	7	ChEMBL_2292770	Inhibition of PARP-1 (unknown origin) assessed as inhibition constant
50018885	8	ChEMBL_2292771	Inhibition of human recombinant PARP-1 (662 to 1011 residues)
50018885	9	ChEMBL_2292774	Inhibition of human PARP-1 using histone as substrate incubated for 16 hrs by ELISA assay
50018885	10	ChEMBL_2292775	Inhibition of human PARP-2 using histone as substrate incubated for 16 hrs by ELISA assay
50018885	11	ChEMBL_2292777	Inhibition of calf thymus PARP-1
50018885	12	ChEMBL_2292779	Inhibition of human PARP-1 incubated for 18 to 20 hrs by scintillation proximity assay
50018885	13	ChEMBL_2292780	Inhibition of mouse recombinant PARP-2 incubated for 60 mins
50018885	14	ChEMBL_2292781	Inhibition of mouse recombinant PARP-1 incubated for 60 mins
50018885	15	ChEMBL_2292782	Inhibition of human PARP-2 incubated for 18 to 20 hrs by scintillation proximity assay
50018886	1	ChEMBL_2292783	Antagonist activity at TRPM8 (unknown origin) by fluorescence based assay
50018886	2	ChEMBL_2292784	Antagonist activity at human TRPM8 expressed in CHO cells
50018886	3	ChEMBL_2292786	Antagonist activity at cold activated human TRPM8 expressed in HEK293 cells
50018886	4	ChEMBL_2292787	Agonist activity at human TRMP8 expressed in HEK293 cells by fluorometric imaging plate reader analysis
50018886	5	ChEMBL_2292788	Agonist activity at mouse TRMP8 expressed in HEK293 cells
50018886	6	ChEMBL_2292789	Agonist activity at human TRMP8 expressed in HEK293 cells
50018886	7	ChEMBL_2292790	Modulation of TRPV1 (unknown origin) by fluorometric imaging plate reader analysis
50018886	8	ChEMBL_2292791	Agonist activity at TRPM8 (unknown origin) by fluorometric imaging plate reader analysis
50018886	9	ChEMBL_2292792	Agonist activity at human recombinant TRPM8
50018886	10	ChEMBL_2292793	Agonist activity at TRPM8 (unknown origin)
50018886	11	ChEMBL_2292794	Agonist activity at TRPA1 (unknown origin)
50018886	12	ChEMBL_2292795	Agonist activity at human TRMP8 expressed in HEK293 cells incubated for 24 hrs by HTS assay
50018886	13	ChEMBL_2292796	Agonist activity at human TRMP8 expressed in HEK293 cells measured after 24 hrs of menthol activation by patch clamp assay
50018886	14	ChEMBL_2292797	Agonist activity at human TRMP8 expressed in HEK293 cells measured after 24 hrs of cold activation by patch clamp assay
50018886	15	ChEMBL_2292806	Antagonist activity at human TRMP8 incubated for 24 hrs
50018886	16	ChEMBL_2292808	Antagonist activity at TRPM8 (unknown origin)
50018886	17	ChEMBL_2292809	Antagonist activity at human TRPM8 expressed in HEK293 cells
50018886	18	ChEMBL_2292811	Antagonist activity at human TRPM8 expressed in methanol induced HEK293 cells
50018886	19	ChEMBL_2292812	Antagonist activity at TRPM8 (unknown origin) assessed as reduction in calcium influx
50018886	20	ChEMBL_2292813	Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as reduction in menthol induced calcium influx
50018887	1	ChEMBL_2292815	Inhibition of human DcpS
50018887	2	ChEMBL_2292842	Inhibition of GSK3beta (unknown origin)
50018888	1	ChEMBL_2292857	Competitive inhibition of electric eel acetyl cholinesterase measured for 3 mins by Ellman's method
50018888	2	ChEMBL_2292858	Inhibition of electric eel AChE (type VI-S) using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method
50018888	3	ChEMBL_2292865	Binding affinity to CB2 (unknown origin)
50018888	4	ChEMBL_2292866	Binding affinity to rat 5-HT1B
50018888	5	ChEMBL_2292870	Inhibition of recombinant human AChE assessed as hydrolysis of acetylthiocholine by Ellman's method
50018890	1	ChEMBL_2292885	Inhibition of Hepatitis C virus NS3/NS4A protease in absence of Zn2+
50018890	2	ChEMBL_2292886	Inhibition of Hepatitis C virus NS3/NS4A protease in presence of Zn2+
50018890	3	ChEMBL_2292893	Inhibition of Hepatitis C virus NS3/NS4A protease
50018890	4	ChEMBL_2292896	Inhibition of HCV NS4A-NS3 protease
50018890	5	ChEMBL_2292897	Inhibition of C-terminal HCV NS4A-NS3 protease
50018890	6	ChEMBL_2292963	Inhibition of Hepatitis C virus NS5B polymerase
50018890	7	ChEMBL_2292970	Inhibition of PXR (unknown origin)
50018890	8	ChEMBL_2292979	Inhibition of Hepatitis C virus genotype 1b NS3/NS4A protease
50018890	9	ChEMBL_2292980	Inhibition of Hepatitis C virus genotype 2a NS3/NS4A protease
50018890	10	ChEMBL_2292981	Inhibition of Hepatitis C virus genotype 2b NS3/NS4A protease
50018890	11	ChEMBL_2292982	Inhibition of Hepatitis C virus genotype 3a NS3/NS4A protease
50018890	12	ChEMBL_2292983	Inhibition of Hepatitis C virus genotype 4a NS3/NS4A protease
50018890	13	ChEMBL_2292984	Inhibition of Hepatitis C virus genotype 5a NS3/NS4A protease
50018890	14	ChEMBL_2292985	Inhibition of Hepatitis C virus genotype 6a NS3/NS4A protease
50018893	1	ChEMBL_2292990	Inhibition of human CDK1 using Biotinaminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 peptide as substrate incubated for 20 to 30 mins by scintillation counter analysis
50018893	2	ChEMBL_2292991	Inhibition of human CDK2 g-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2 peptide as substrate incubated for 30 to 60 mins by scintillation counter analysis
50018893	3	ChEMBL_2292992	Inhibition of recombinant human CDK2 in presence of ATP by FlashPlate assays
50018893	4	ChEMBL_2292995	Inhibition of CDK2 (unknown origin) in presence of ATP
50018893	5	ChEMBL_2292996	Inhibition of TrkA (unknown origin)
50018893	6	ChEMBL_2292998	Inhibition of VEGFR1 (unknown origin) in presence of ATP
50018893	7	ChEMBL_2293004	Inhibition of AR (unknown origin) assessed as glycation activity
50018893	8	ChEMBL_2293005	Antagonist activity at progesterone receptor (unknown origin)
50018893	9	ChEMBL_2293006	Inhibition of cRAF1 (unknown origin)
50018893	10	ChEMBL_2293007	Inhibition of human Syk expressed in Kluyveromyces lactis using Biot-(BA)3-DEEYEIP-NH2 as substrate in presence of ATP by HTRF assay
50018895	1	ChEMBL_2293013	Inhibition of CDK2 (unknown origin)
50018895	2	ChEMBL_2293014	Inhibition of CDK4 (unknown origin)
50018895	3	ChEMBL_2293015	Inhibition of BRD2/3 (unknown origin)
50018895	4	ChEMBL_2293016	Inhibition of CDK1 (unknown origin)
50018895	5	ChEMBL_2293017	Inhibition of human BRDT
50018895	6	ChEMBL_2293018	Binding affinity to human N-terminal His6-tagged BRDTexpressed in Escherichia coli BL21 (DE3) cells (21 to 137 residues) incubated for 1 hr
50018895	7	ChEMBL_2293019	Inhibition of human N-terminal His6-tagged BRDT (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr
50018895	8	ChEMBL_2293020	Inhibition of BRDT (unknown origin)
50018895	9	ChEMBL_2293021	Inhibition of JAK2 (unknown origin)
50018895	10	ChEMBL_2293022	Inhibition of CDK9 (unknown origin)
50018895	11	ChEMBL_2293023	Inhibition of CDK5 (unknown origin)
50018895	12	ChEMBL_2293024	Binding affinity to human RSK1 assessed as dissociation constant
50018895	13	ChEMBL_2293025	Binding affinity to human recombinant BRD4 assessed as dissociation constant
50018895	14	ChEMBL_2293026	Inhibition of human recombinant full-length GSK3beta expressed in Escherichia coli incubated for 2 hrs
50018895	15	ChEMBL_2293027	Inhibition of human recombinant full-length GSK3alpha expressed in Escherichia coli incubated for 2 hrs
50018895	16	ChEMBL_2293028	Inhibition of SYK (unknown origin)
50018895	17	ChEMBL_2293029	Inhibition of human RSK3
50018895	18	ChEMBL_2293031	Inhibition of RSK3 (unknown origin)
50018895	19	ChEMBL_2293032	Inhibition of RSK4 (unknown origin)
50018895	20	ChEMBL_2293033	Inhibition of RSK1 (unknown origin) by mobility shift assay
50018895	21	ChEMBL_2293034	Inhibition of RSK2 (unknown origin)
50018895	22	ChEMBL_2293036	Inhibition of PYK2 (unknown origin)
50018895	23	ChEMBL_2293037	Inhibition of human full-length N-terminal GST-tagged MPS1 using FITC-labeled peptide as substrate incubated for 1 hr by Fluorescence based analysis
50018895	24	ChEMBL_2293038	Inhibition of human recombinant BRDT
50018895	25	ChEMBL_2293039	Inhibition of RET (unknown origin)
50018895	26	ChEMBL_2293040	Inhibition of FLT3 (unknown origin)
50018895	27	ChEMBL_2293041	Inhibition of PLK1 (unknown origin)
50018895	28	ChEMBL_2293042	Inhibition of PLK2 (unknown origin)
50018895	29	ChEMBL_2293043	Inhibition of PLK3 (unknown origin)
50018895	30	ChEMBL_2293044	Inhibition of P38alphaMAPK (unknown origin)
50018895	31	ChEMBL_2293045	Inhibition of P38betaMAPK (unknown origin)
50018895	32	ChEMBL_2293046	Inhibition of BRD4 (unknown origin) using pre-acetylated Biotin-Histone 4 Peptide as substrate by alpha screen assay
50018895	33	ChEMBL_2293047	Inhibition of EGFR (unknown origin) using flurogenic substrate in presence of ATP
50018895	34	ChEMBL_2293048	Inhibition of human recombinant ERBB2 expressed in Escherichia coli
50018895	35	ChEMBL_2293049	Inhibition of ERBB4 (unknown origin)
50018895	36	ChEMBL_2293050	Inhibition of PI3Kalpha (unknown origin)
50018895	37	ChEMBL_2293051	Inhibition of PI3Kgamma (unknown origin)
50018895	38	ChEMBL_2293052	Inhibition of mTOR (unknown origin)
50018895	39	ChEMBL_2293053	Inhibition of DNA-PK (unknown origin)
50018895	40	ChEMBL_2293054	Inhibition of PI3Kdelta (unknown origin)
50018895	41	ChEMBL_2293055	Inhibition of FAK (unknown origin)
50018895	42	ChEMBL_2293056	Inhibition of human mTOR
50018895	43	ChEMBL_2293057	Inhibition of human N-terminal His6-tagged BRD4 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by chromatography method
50018895	44	ChEMBL_2293058	Inhibition of VEGFR2 (unknown origin)
50018898	1	ChEMBL_2293062	Inhibition of EGFR autophosphorylation in human NCI-H292 cells harboring harboring wild type EGFR preincubated for 60 mins followed by EGF stimulation and measured after 8 mins by SULFO-TAG based electrochemiluminescent assay
50018898	2	ChEMBL_2293063	Inhibition of EGFR del (746 to 750) mutant autophosphorylation in human PC-9 cells harboring harboring EGFR del (746 to 750) mutant preincubated for 60 mins followed by EGF stimulation and measured after 8 mins by SULFO-TAG based electrochemiluminescent assay
50018898	3	ChEMBL_2293064	Inhibition of EGFR T790M/del (746 to 750 residues) mutant autophosphorylation in human PC-9/ER1 cells harboring harboring EGFR T790M/del (746 to 750 residues) mutant preincubated for 60 mins followed by EGF stimulation and measured after 8 mins by SULFO-TAG based electrochemiluminescent assay
50018898	4	ChEMBL_2293065	Inhibition of EGFR L858R/T790M double mutant autophosphorylation in human NCI-H1975 cells harboring harboring EGFR L858R/T790M double mutant preincubated for 60 mins followed by EGF stimulation and measured after 8 mins by SULFO-TAG based electrochemiluminescent assay
50018898	5	ChEMBL_2293072	Inhibition of human EGFR T790M/L858R double mutant assessed as apparent inhibition constant using Fl-EEPLYWSFPAKKK-CONH2 as peptide substrate preincubated for 30 mins followed by addition of substrate and measured after 30 mins by Morrison plot analysis
50018898	6	ChEMBL_2293073	Inhibition of human EGFR T790M/del (746 to 750 residues) mutant assessed as apparent inhibition constant using Fl-EEPLYWSFPAKKK-CONH2 peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 30 mins by Morrison plot analysis
50018898	7	ChEMBL_2293074	Inhibition of human EGFR L858R mutant assessed as apparent inhibition constant using Fl-EEPLYWSFPAKKK-CONH2 peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 30 mins by Morrison plot analysis
50018898	8	ChEMBL_2293075	Inhibition of human EGFR del (746 to 750) mutant assessed as apparent inhibition constant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate and measured after 30 mins by Morrison plot analysis
50018898	9	ChEMBL_2293076	Inhibition of wild type human EGFR assessed as apparent inhibition constant using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate and measured after 30 mins by Morrison plot analysis
50018899	1	ChEMBL_2293098	Inhibition of m7GDP fluorescent probe binding to recombinant eIF4E (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50018899	2	ChEMBL_2293100	Inhibition of P32-[alpha-GTP] cap radiolabelled RNA binding to recombinant eIF4E (unknown origin) assessed as decrease in cross linked RNA-eIF4E complex formation preincubated with UV radiation for 30 mins followed by RNase addition and measured after 30 mins by SDS-PAGE based autoradiographic analysis
50018900	1	ChEMBL_2293117	Positive allosteric modulator activity at human M4 receptor expressed in CHO cells co-expressing Gqi5 in presence of EC20 concentration of acetylcholine by calcium mobilization assay
50018900	2	ChEMBL_2293120	Positive allosteric modulator activity at rat M4 receptor expressed in CHO cells co-expressing Gqi5 in presence of EC20 concentration of acetylcholine by calcium mobilization assay
50018900	3	ChEMBL_2293128	Inhibition of CYP34A in human liver microsomes using midazolam as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50018900	4	ChEMBL_2293129	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50018900	5	ChEMBL_2293130	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50018900	6	ChEMBL_2293131	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysis
50018900	7	ChEMBL_2293132	Activation of CYP34A in human hepatocyte using midazolam as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr by LC-MS/MS analysis
50018900	8	ChEMBL_2293133	Activation of CYP2B6 in human hepatocyte using bupropion as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr by LC-MS/MS analysis
50018900	9	ChEMBL_2293134	Activation of CYP1A2 in human hepatocyte using phenacetin as substrate preincubated for 5 days followed by substrate addition and measured after 1 hr by LC-MS/MS analysis
50018900	10	ChEMBL_2293166	Inhibition of hERG cardiac ion channel
50018900	11	ChEMBL_2293184	Positive allosteric modulator activity at rat M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as maximal response to ACh by calcium mobilization assay
50018900	12	ChEMBL_2293185	Positive allosteric modulator activity at human M2 receptor expressed in CHO cells co-expressing Gqi5 assessed as maximal response to ACh by calcium mobilization assay
50018902	1	ChEMBL_2293467	Inhibition of hERG potassium channel by Q-patch clamp assay
50018902	2	ChEMBL_2293468	Inhibition of CYP1A2 (unknown origin)
50018902	3	ChEMBL_2293469	Inhibition of CYP2C19 (unknown origin)
50018902	4	ChEMBL_2293470	Inhibition of CYP2C9 (unknown origin)
50018902	5	ChEMBL_2293471	Inhibition of CYP2D6 (unknown origin)
50018902	6	ChEMBL_2293472	Inhibition of CYP3A4 (unknown origin)
50018904	1	ChEMBL_2293519	Inhibition of Saccharomyces cerevisiae H+ ATPase pma1 isoform assessed as ATP hydrolysis incubated for 30 mins by colorimetric method
50018904	2	ChEMBL_2293535	Allosteric inhibition of H+ ATPase pma1 isoform by measuring NADP-coupled ATPase activity in presence of 1 mM ATP by spectrophotometry method
50018904	3	ChEMBL_2293536	Allosteric inhibition of H+ ATPase pma1 isoform by measuring NADP-coupled ATPase activity in presence of 10 mM ATP by spectrophotometry method
50018906	1	ChEMBL_2293834	Inhibition of CYP2C8 in human liver microsomes using probe substrate in presence of NADPH
50018906	2	ChEMBL_2293953	Antagonist activity at NOD1 in human HEK-Blue hNOD1 cells assessed as inhibition of C12-iE-DAP-induced SEAP release preincubated for 3 hrs followed by C12-iE-DAP addition incubated for 20 hrs by spectrophotometer assay
50018906	3	ChEMBL_2293974	Antagonist activity at NOD2 in human HEK-Blue hNOD2 cells assessed as inhibition of MDP-induced NOD2 activation
50018908	1	ChEMBL_2293975	Inhibition of human kappa opioid receptor assessed as inhibition constant
50018909	1	ChEMBL_2293977	Inhibition of amyloid beta (1 to 42) (unknown origin) fibril formation incubated for 1 hr by thioflavin-T fluorescence assay
50018909	2	ChEMBL_2293981	Inhibition of AChE (unknown origin)
50018909	3	ChEMBL_2293982	Inhibition of BuChE (unknown origin)
50018909	4	ChEMBL_2293985	Inhibition of human recombinant AChE preincubated for 20 mins followed by substrate addition by Ellman's method
50018909	5	ChEMBL_2293986	Inhibition of human serum BuChE preincubated for 20 mins followed by substrate addition by Ellman's method
50018909	6	ChEMBL_2293989	Inhibition of human BACE-1
50018909	7	ChEMBL_2293990	Inhibition of amyloid beta (unknown origin) aggregation
50018909	8	ChEMBL_2293991	Inhibition of MAO-A (unknown origin)
50018909	9	ChEMBL_2293992	Inhibition of MAO-B (unknown origin)
50018909	10	ChEMBL_2293998	Inhibition of human MAO-B
50018909	11	ChEMBL_2294002	Inhibition of self-induced amyloid beta (unknown origin) aggregation
50018909	12	ChEMBL_2294007	Inhibition of AChE (unknown origin) assessed as inhibition constant
50018910	1	ChEMBL_2294012	Inhibition of HDAC6 (unknown origin)
50018910	2	ChEMBL_2294013	Inhibition of HDAC1 (unknown origin)
50018910	3	ChEMBL_2294014	Displacement of [3H]ifenprodyl from NMDA receptor NR2B subunit (unknown origin)
50018910	4	ChEMBL_2294015	Displacement of [3H]MK801 from NMDA receptor NR2B subunit (unknown origin)
50018910	5	ChEMBL_2294016	Inhibition of BChE (unknown origin)
50018910	6	ChEMBL_2294017	Inhibition of human erythrocyte AChE incubated for 10 mins by Ellman's method
50018910	7	ChEMBL_2294018	Inhibition of horse serum BChE incubated for 10 mins by Ellman's method
50018910	8	ChEMBL_2294019	Displacement of [3H]ifenprodyl from NMDA receptor (unknown origin)
50018911	1	ChEMBL_2294020	Inhibition of DYRK1A (unknown origin) autophosphorylation
50018911	2	ChEMBL_2294021	Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant
50018911	3	ChEMBL_2294023	Inhibition of DYRK1A (unknown origin) in presence of ATP
50018911	4	ChEMBL_2294024	Inhibition of DYRK1A (unknown origin)
50018911	5	ChEMBL_2294025	Inhibition of amyloid beta 40 (unknown origin)
50018911	6	ChEMBL_2294026	Inhibition of amyloid beta 42 (unknown origin)
50018911	7	ChEMBL_2294027	Inhibition of gamma-secretase (unknown origin)
50018911	8	ChEMBL_2294028	Inhibition of DYRK1B (unknown origin)
50018911	9	ChEMBL_2294029	Inhibition of DYRK2 (unknown origin)
50018911	10	ChEMBL_2294030	Inhibition of DYRK4 (unknown origin)
50018911	11	ChEMBL_2294033	Inhibition of AChE (unknown origin)
50018912	1	ChEMBL_2294061	Positive allosteric modulation of rat recombinant GABAA alpha1beta3alpha1-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	2	ChEMBL_2294062	Positive allosteric modulation of rat recombinant GABAA gamma2beta3alpha1-beta3alpha6 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	3	ChEMBL_2294063	Positive allosteric modulation of rat recombinant GABAA alpha6beta3alpha1-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	4	ChEMBL_2294064	Positive allosteric modulation of rat recombinant GABAA alpha6beta3alpha6-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	5	ChEMBL_2294065	Positive allosteric modulation of rat recombinant GABAA alpha1beta3gamma2 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	6	ChEMBL_2294066	Positive allosteric modulation of rat recombinant GABAA alpha6beta3gamma2 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	7	ChEMBL_2294082	Positive allosteric modulation of rat recombinant GABAA alpha6beta3alpha6-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under more potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	8	ChEMBL_2294083	Positive allosteric modulation of rat recombinant GABAA alpha6beta3alpha6-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	9	ChEMBL_2294086	Positive allosteric modulation of rat recombinant GABAA gamma2beta3alpha1-beta3alpha6 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under more potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	10	ChEMBL_2294087	Positive allosteric modulation of rat recombinant GABAA gamma2beta3alpha1-beta3alpha6 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	11	ChEMBL_2294090	Positive allosteric modulation of rat recombinant GABAA alpha6beta3gamma2 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under more potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	12	ChEMBL_2294091	Positive allosteric modulation of rat recombinant GABAA alpha6beta3gamma2 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	13	ChEMBL_2294094	Positive allosteric modulation of rat recombinant GABAA alpha1beta3alpha1-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	14	ChEMBL_2294096	Positive allosteric modulation of rat recombinant GABAA alpha1beta3gamma2 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018912	15	ChEMBL_2294098	Positive allosteric modulation of rat recombinant GABAA alpha6beta3alpha1-gamma2beta3 receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced current amplitude at -80 mV holding potential under less potent phase in presence of GABA EC1 to 1.5 by two-electrode voltage-clamp assay
50018913	1	ChEMBL_2294203	Inhibition of C-terminal his tagged human PD-1/human Fc tagged PDL-1 interaction expressed in HEK293 cells incubated for 2 hrs AlphaScreen assay
50018913	2	ChEMBL_2294204	Inhibition of his-tagged SARS-COV2 S-RBD binding to C-terminal Fc-tagged human ACE2 expressed in HEK293 cells incubated for 2 hrs by Alphascreen assay
50018914	1	ChEMBL_2294250	Inhibition of HIV-1 protease using Abz-NF-6 as substrate assessed as inhibition constant measured every 2 mins for 20 mins by fluorescence based ELISA analysis
50018918	1	ChEMBL_2294275	Binding affinity to biotinylated Bap-tagged human IL-17A assessed as dissociation constant by SPR binding assay
50018918	2	ChEMBL_2294276	Binding affinity to human TNF-alpha assessed as dissociation constant by SPR assay
50018919	1	ChEMBL_2294281	Inhibition of SARS-CoV-2 3CL protease
50018919	2	ChEMBL_2294285	Inhibition of human Trypsin using Z-Phe-Arg-AMC as substrate incubated for 30 mins by FRET assay
50018919	3	ChEMBL_2294286	Inhibition of human caspase 3 using Z-Phe-Arg-AMC as substrate incubated for 30 mins by FRET assay
50018919	4	ChEMBL_2294288	Inhibition of SARS-CoV-2 3CL protease measured after 10 mins by FRET assay
50018919	5	ChEMBL_2294289	Inhibition of SARS-CoV-2 3CL protease assessed as inhibition constant
50018919	6	ChEMBL_2294292	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50018919	7	ChEMBL_2294294	Inhibition of SARS-CoV-2 3CL protease expressed in escherichia coli measured after 24 hrs by SDS-PAGE
50018919	8	ChEMBL_2294295	Inhibition of SARS-CoV-2 3CL protease using HiLyte Fluor488TM-ESATLQSGLRKAK-QXL520TM-NH2 as substrate measured after 5 hrs by FRET assay
50018919	9	ChEMBL_2294296	Inhibition of human calpain using Z-Phe-Arg-AMC as substrate incubated for 30 mins by FRET assay
50018919	10	ChEMBL_2294297	Inhibition of SARS-CoV-2 HKU-001a 3CL protease
50018920	1	ChEMBL_2294304	Inhibition of Haemophilus influenzae DapE
50018922	1	ChEMBL_2294336	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate pre incubated for 10 mins followed by substrate addition and measured after 30 mins by plate reader analysis
50018922	2	ChEMBL_2294337	Inhibition of alpha glucosidase (unknown origin)
50018922	3	ChEMBL_2294341	Non-competitive inhibition of alpha glucosidase (unknown origin) assessed as inhibition constant using pNPG as substrate by by Dixon plot analysis
50018925	1	ChEMBL_2294498	Inhibition of EGFR D770-N771 ins NPG mutant (unknown origin)
50018925	2	ChEMBL_2294501	Inhibition of wild type EGFR (unknown origin)
50018925	3	ChEMBL_2294502	Inhibition of EGFR L858R mutant (unknown origin)
50018925	4	ChEMBL_2294504	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50018925	5	ChEMBL_2294505	Inhibition of HER2 (unknown origin)
50018925	6	ChEMBL_2294506	Inhibition of EGFR A763-Y764 ins FQEA mutant (unknown origin)
50018925	7	ChEMBL_2294517	Binding affinity to human ERG
50018926	1	ChEMBL_2294557	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with compounds for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method relative to control
50018927	1	ChEMBL_2294576	Inhibition of Arginase I (unknown origin) assessed as L-ornithine formation by Rapidfire mass spectrometric analysis
50018927	2	ChEMBL_2294577	Inhibition of Arginase I (unknown origin) by ThioOrnithine Generating enzymatic assay
50018927	3	ChEMBL_2294578	Inhibition of human Arginase I in human myeloid-derived suppressor cells using L-arginine as substrate assessed as L-ornithine product formation by measuring dissociation constant preincubated for 10 mins followed by ninhydrin solution and measured after 1 hrs by colorimetric assay
50018927	4	ChEMBL_2294579	Inhibition of human Arginase I assessed as dissociation constant by ITC analysis
50018929	1	ChEMBL_2294672	Inhibition of human ALK5 by Kinase Glo luminescence assay
50018929	2	ChEMBL_2294673	Inhibition of ALK5 in human Hs-578T cells assessed as effect of TGF-beta-induced Smad3/4 phosphorylation
50018929	3	ChEMBL_2294674	Inhibition of CYP3A4 (unknown origin)
50018929	4	ChEMBL_2294675	Inhibition of CYP2D6 (unknown origin)
50018929	5	ChEMBL_2294676	Inhibition of CYP2C19 (unknown origin)
50018929	6	ChEMBL_2294677	Inhibition of CYP2C9 (unknown origin)
50018929	7	ChEMBL_2294678	Inhibition of CYP1A2 (unknown origin)
50018929	8	ChEMBL_2294679	Inhibition of human ALK2 by NanoBERT assay
50018929	9	ChEMBL_2294681	Inhibition of mouse CYP1A2
50018930	1	ChEMBL_2294714	Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation incubated for 24 hrs by ThioflavinT-dye based fluorescence analysis
50018931	1	ChEMBL_2294721	Antagonist activity at NMDA receptor NR2B subunit (unknown origin)
50018932	1	ChEMBL_2294735	Binding affinity to human ERG
50018933	1	ChEMBL_2294755	Inhibition of recombinant wildtype HIV-1 reverse transcriptase using r(A)350 as template and d(T)16 as primer preincubated with compound for 1 hrs followed by template/primer addition and measured after 30 mins by picogreen based plate reader analysis
50018934	1	ChEMBL_2294770	Inhibition of CYP3A4 (unknown origin)
50018934	2	ChEMBL_2294771	Non competitive inhibition of CYP2A6 in human liver microsome using coumarin as substrate preincubated with NADPH for 5 mins and measured after 30 min by fluorescence spectroscopy
50018934	3	ChEMBL_2294772	Non competitive inhibition of CYP3A4 in human liver microsome using coumarin as substrate preincubated with NADPH for 5 mins and measured after 30 min by fluorescence spectroscopy
50018934	4	ChEMBL_2294773	Inhibition of CYP2A6 (unknown origin)
50018934	5	ChEMBL_2294775	Mixed type inhibition of CYP2A6 (unknown origin)
50018934	6	ChEMBL_2294776	Competitive inhibition of CYP2A6 (unknown origin)
50018934	7	ChEMBL_2294777	Competitive inhibition of CYP3A4 (unknown origin)
50018934	8	ChEMBL_2294778	Non competitive inhibition of CYP3A4 (unknown origin)
50018934	9	ChEMBL_2294779	Mixed type inhibition of CYP3A4 (unknown origin)
50018935	1	ChEMBL_2295014	Inhibition of CYP1A2 (unknown origin) by fluorescence based assay
50018935	2	ChEMBL_2295015	Inhibition of CYP2C9 (unknown origin) by fluorescence based assay
50018935	3	ChEMBL_2295016	Inhibition of CYP2C19 (unknown origin) by fluorescence based assay
50018935	4	ChEMBL_2295017	Inhibition of CYP2D6 (unknown origin) by fluorescence based assay
50018935	5	ChEMBL_2295018	Inhibition of CYP3A4 (unknown origin) by fluorescence based assay
50018935	6	ChEMBL_2295027	Inhibition of BRD4 bromodomain 1/2 (unknown origin) by Alphascreen assay
50018935	7	ChEMBL_2295028	Inhibition of BRD4 bromodomain 1/2 (unknown origin) assessed as dissociation constant by DiscoveRx BROMOscan assay
50018936	1	ChEMBL_2295136	Inhibition of TYK2 dependent IFNalpha-stimulated STAT3 phosphorylation in human Jurkat cells
50018936	2	ChEMBL_2295139	Inhibition of JAK2 dependent GM-CSF stimulated STAT3 phosphorylation in human TF-1 cells
50018936	3	ChEMBL_2295140	Inhibition of JAK1/3 dependent IL-2 stimulated STAT5 phosphorylation in CD3-positive T cells (unknown origin)
50018939	1	ChEMBL_2295190	Agonist activity at 5-HT2AR (unknown origin) stably expressed in HEK293 cells measured after 1 hr by fluorescence based Ca2+/Fluo-4 assay
50018939	2	ChEMBL_2295192	Agonist activity at 5-HT2CR (unknown origin) stably expressed in HEK293 cells measured after 1 hr by fluorescence based Ca2+/Fluo-4 assay
50018940	1	ChEMBL_2295208	Inhibition of recombinant human GIRK1/4 channel
50018940	2	ChEMBL_2295209	Inhibition of recombinant human GIRK1/2 channel
50018940	3	ChEMBL_2295213	Inhibition of recombinant human Nav1.5
50018940	4	ChEMBL_2295214	Inhibition of recombinant human Cav1.2
50018940	5	ChEMBL_2295215	Inhibition of recombinant human KCNQ1
50018940	6	ChEMBL_2295216	Inhibition of recombinant hERG in the presence of dofetilide by competitive binding assay
50018940	7	ChEMBL_2295224	Inhibition of GIRK1/2 (unknown origin) channel
50018941	1	ChEMBL_2295229	Inhibition of SARS-CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET analysis
50018941	2	ChEMBL_2295230	Inhibition of SARS-CoV-2 main protease by FRET analysis
50018941	3	ChEMBL_2295231	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using MDA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate incubated for 10 mins by FRET analysis
50018942	1	ChEMBL_2295255	Inhibition of HDAC in human HeLa cell extracts using Boc-Lys(Ac)-AM as substrate by fluorescence based analysis
50018943	1	ChEMBL_2295410	Binding affinity to human recombinant Alpha-synuclein assessed as dissociation constant by fluorometric method
50018943	2	ChEMBL_2295411	Binding affinity to Alpha-synuclein (unknown origin) assessed as dissociation constant
50018943	3	ChEMBL_2295412	Binding affinity to amyloid beta (1 to 40) (unknown origin) aggregates assessed as dissociation constant
50018943	4	ChEMBL_2295413	Binding affinity to human recombinant Alpha-synuclein expressed in Escherichia coli assessed as dissociation constant at 200 uM
50018943	5	ChEMBL_2295414	Binding affinity to Alpha-synuclein (unknown origin) fibrils assessed as inhibition constant
50018943	6	ChEMBL_2295415	Inhibition of Alpha-synuclein (unknown origin) fibrils
50018943	7	ChEMBL_2295416	Binding affinity to C-terminal His6-tagged human Alpha-synuclein fibrils (1 to 97 residues) expressed in Escherichia coli assessed as dissociation constant by chromatography method
50018945	1	ChEMBL_2295417	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometer assay
50018945	2	ChEMBL_2295418	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometer assay
50018945	3	ChEMBL_2295419	Inhibition of alpha-glucosidase (unknown origin) assessed as inhibition constant using p-nitrophenyl-alpha D-glucopyranoside as substrate by Lineweaver-Burk plot analysis
50018945	4	ChEMBL_2295422	Inhibition of alpha-glucosidase (unknown origin)
50018945	5	ChEMBL_2295423	Inhibition of pancreatic lipase (unknown origin)
50018945	6	ChEMBL_2295424	Inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as inhibition constant using p-nitrophenyl-alpha D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by Lineweaver-burk plot analysis
50018946	1	ChEMBL_2295510	Inhibition of human 20S constitutive proteosome beta5c subunit using Suc-LLVY-AMC as substrate measured after 10 mins by fluorescence based analysis
50018946	2	ChEMBL_2295511	Competitive inhibition of human 20S constitutive proteosome beta5c subunit using Suc-LLVY-AMC as substrate measured after 10 mins by fluorescence based analysis
50018946	3	ChEMBL_2295512	Inhibition of human 20S immuno proteosome beta5i subunit using Suc-LLVY-AMC as substrate measured after 10 mins by fluorescence based analysis
50018947	1	ChEMBL_2295634	Displacement of fluorescent tracer from NanoLuc-tagged CRBN (unknown origin) by NanoBRET assay
50018948	1	ChEMBL_2295672	Inhibition of SARS-CoV-2 nsp14 guanine-N7-methyltransferase activity
50018949	1	ChEMBL_2295689	Antagonist activity at TSHR in rat FRTL-5 cells assessed as reduction in cAMP production incubated for 2 hrs by Eu-cAMP tracer based TR-FRET assay
50018949	2	ChEMBL_2295691	Antagonist activity at human TSHR expressed in HEK293 cells assessed as reduction in cAMP production incubated for 2 hrs by Eu-cAMP tracer based TR-FRET assay
50018949	3	ChEMBL_2295693	Antagonist activity at human FSHR expressed in HEK293 cells assessed as reduction in cAMP production incubated for 2 hrs by Eu-cAMP tracer based TR-FRET assay
50018949	4	ChEMBL_2295701	Antagonist activity at human TSHR in HEK293 cells assessed as inhibition of bTSH-induced cAMP production incubated for 2 hrs by Eu-cAMP tracer based TR-FRET assay
50018949	5	ChEMBL_2295702	Antagonist activity at TSHR in rat FRTL-5 cells assessed as inhibition of M22-induced cAMP production incubated for 2 hrs by Eu-cAMP tracer based TR-FRET assay
50018949	6	ChEMBL_2295722	Allosteric antagonist activity at human TSHR expressed in CHO cells assessed as inhibition of bTSH-induced cAMP production incubated for 2 hrs by luminescence assay
50018949	7	ChEMBL_2295723	Allosteric antagonist activity at human FSHR expressed in CHO cells assessed as inhibition of FSH-induced activity incubated for 4 hrs by CRE-luciferase assay
50018950	1	ChEMBL_2295726	Antagonist activity at 5-HT6 receptor (unknown origin)
50018950	2	ChEMBL_2295727	Antagonist activity at 5-HT4 receptor in human HeLa cells assessed as inhibition of intracellular calcium mobilization incubated for 2 hrs by FLIPR assay
50018950	3	ChEMBL_2295730	Displacement of [3H]SB269970 from human 5-HT7 receptor expressed in HEK cell membrane incubated for 60 mins by microplate beta scintillation counting analysis
50018950	4	ChEMBL_2295731	Competitive inhibition of human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by varing concentrations of substrate addition and measured for 5 mins by Lineweaver-Burk plot analysis
50018950	5	ChEMBL_2295733	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK cell membrane incubated for 120 mins by microplate beta scintillation counting analysis
50018950	6	ChEMBL_2295735	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK cell membrane incubated for 60 mins by microplate beta scintillation counting analysis
50018950	7	ChEMBL_2295737	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured for 5 mins by Ellman's spectrophotometric method
50018950	8	ChEMBL_2295738	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured for 5 mins by Ellman's spectrophotometric method
50018950	9	ChEMBL_2295739	Inhibition of AChE (unknown origin)
50018950	10	ChEMBL_2295740	Inhibition of BChE (unknown origin)
50018951	1	ChEMBL_2295753	Covalent inhibition of CDK4 (unknown origin) using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by radioactivity based kinase assay
50018951	2	ChEMBL_2295754	Covalent inhibition of CDK6 (unknown origin) using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by radioactivity based kinase assay
50018951	3	ChEMBL_2295755	Covalent inhibition of CDK9 (unknown origin) using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by radioactivity based kinase assay
50018951	4	ChEMBL_2295756	Covalent inhibition of CDK12 (unknown origin) using histone H1 as substrate incubated for 10 mins in presence of [gamma-32P]ATP by radioactivity based kinase assay
50018952	1	ChEMBL_2295767	Antagonist activity at PI3Kdelta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 30 to 60 mins by ADP-glo based luminescence assay
50018952	2	ChEMBL_2295768	Antagonist activity at PI3Kgamma (unknown origin) using PIP2 as substrate in presence of ATP incubated for 30 to 60 mins by ADP-glo based luminescence assay
50018952	3	ChEMBL_2295769	Antagonist activity at PI3Kbeta (unknown origin) using PIP2 as substrate in presence of ATP incubated for 30 to 60 mins by ADP-glo based luminescence assay
50018953	1	ChEMBL_2295826	Inhibition of N-terminal His6/SUMO-tagged full length human ATG4B expressed in Escherichia coli BL21 (DE3) cells using His-LC3B-GST as substrate preincubated with enzyme for 1 hr followed by substrate addition for 1 hr by HTRF assay
50018953	2	ChEMBL_2295829	Binding affinity to N-terminal His6/SUMO-tagged full length human ATG4B expressed in Escherichia coli BL21 (DE3) cells by SPR assay
50018954	1	ChEMBL_2295903	Inhibition of human recombinant PDE3 expressed in Escherichia coli
50018954	2	ChEMBL_2295905	Inhibition of PDE3 (unknown origin)
50018954	3	ChEMBL_2295906	Inhibition of PDE3A (unknown origin)
50018954	4	ChEMBL_2295907	Inhibition of PDE3B (unknown origin)
50018954	5	ChEMBL_2295908	Binding affinity to PDE3A (unknown origin) assessed as dissociation constant
50018954	6	ChEMBL_2295909	Binding affinity to SLFN12 (unknown origin) assessed as dissociation constant
50018954	7	ChEMBL_2295910	Binding affinity to human recombinant PDE3B expressed as Escherichia coli assessed as dissociation constant
50018954	8	ChEMBL_2295911	Binding affinity to human recombinant SLFN12 expressed as Escherichia coli assessed as dissociation constant
50018955	1	ChEMBL_2295917	Inhibition of GTP bound KRAS G12D mutant in human GP2d cells assessed as reduction in pERK level incubated for 3 hrs
50018956	1	ChEMBL_2295921	Inhibition of recombinant human furin using Pyr-Arg-Thr-Lys-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 40 mins by microplate reader method
50018956	2	ChEMBL_2295922	Inhibition of recombinant human furin assessed as inhibition constant using Pyr-Arg-Thr-Lys-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 40 mins by Cheng-Prusoff equation analysis
50018957	1	ChEMBL_2295953	Inhibition of C-terminal Nano-Luc fused human CK2alpha expressed in HEK293 cells using NanoBRET NanoGlo substrate in presence of tracer K10 by NanoBRET assay
50018957	2	ChEMBL_2295954	Inhibition of C-terminal Nano-Luc fused human CK2alpha' expressed in HEK293 cells using NanoBRET NanoGlo substrate in presence of tracer K5 by NanoBRET assay
50018957	3	ChEMBL_2295970	Inhibition of wild type human CK2alpha in presence of ATP by radiometric kinase assay
50018957	4	ChEMBL_2295971	Inhibition of wild type human CK2alpha' in presence of ATP by radiometric kinase assay
50018957	5	ChEMBL_2295972	Inhibition of wild type human DAPK3 in presence of ATP by radiometric kinase assay
50018957	6	ChEMBL_2295973	Inhibition of wild type human HIPK1 in presence of ATP by radiometric kinase assay
50018957	7	ChEMBL_2295974	Inhibition of wild type human DAPK2 in presence of ATP by radiometric kinase assay
50018957	8	ChEMBL_2295975	Inhibition of wild type human HIPK3 in presence of ATP by radiometric kinase assay
50018957	9	ChEMBL_2295976	Inhibition of wild type human MYLK4 in presence of ATP by radiometric kinase assay
50018957	10	ChEMBL_2295977	Inhibition of wild type human PIK3CG in presence of ATP by radiometric kinase assay
50018957	11	ChEMBL_2295978	Inhibition of wild type human PIK3C2G in presence of ATP by radiometric kinase assay
50018957	12	ChEMBL_2295979	Inhibition of wild type human DYRK1A in presence of ATP by radiometric kinase assay
50018957	13	ChEMBL_2295980	Inhibition of wild type human HIPK2 in presence of ATP by radiometric kinase assay
50018957	14	ChEMBL_2295981	Inhibition of wild type human DRAK2 in presence of ATP by radiometric kinase assay
50018957	15	ChEMBL_2295982	Inhibition of wild type human YSK4 in presence of ATP by radiometric kinase assay
50018957	16	ChEMBL_2295983	Inhibition of wild type human PIP5K1C in presence of ATP by radiometric kinase assay
50018958	1	ChEMBL_2296007	Inhibition of human recombinant cytoplasmic domain FGFR2 (8 to 134 residues) incubated for 120 mins by mobility shift assay
50018958	2	ChEMBL_2296008	Inhibition of recombinant human EGFR del19/T790M using biotinEEPLYWSFPAKKK-NH2 as substrate incubated for 120 mins by TR-FRET assay
50018958	3	ChEMBL_2296009	Inhibition of N-terminal GST tagged recombinant human VEGFR2 (aa805 to 1356 residues) expressed in baculovirus expression system using Poly- (Glu4:Tyr)-biotin as substrate incubated for 80 mins in presence of ATP by kinase glo method
50018958	4	ChEMBL_2296016	Inhibition of human FGFR1
50018958	5	ChEMBL_2296017	Inhibition of human FGFR3
50018958	6	ChEMBL_2296018	Inhibition of human FGFR4
50018959	1	ChEMBL_2296037	Binding affinity to PPARgamma (unknown origin) by TR-FRET-based competitive binding assay
50018959	2	ChEMBL_2296038	Partial agonist activity at PPARgamma (unknown origin) by TR-FRET-based competitive binding assay
50018959	3	ChEMBL_2296046	Agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator RAP250 to PPARgamma LBD by TR-FRET-based nuclear receptor coactivator assay
50018960	1	ChEMBL_2296048	Displacement of [3H]-WIN55212-2 from CB1R in rat brain membranes incubated for 60 mins by radioligand competitive binding assay
50018960	2	ChEMBL_2296049	Agonist activity at rat brain membrane CB1 receptor assessed as stimulation of [35S]GTPgammaS binding incubated for 60 mins
50018961	1	ChEMBL_2296077	Agonist activity at human GPR52 expressed in HEK293F assessed as cAMP accumulation preincubated for 30 mins followed by cAMP detection reagent and measured after 1 hr by HTRF analysis
50018961	2	ChEMBL_2296113	Inhibition of human ERG by automated patch-clamp assay
50018961	3	ChEMBL_2296114	Inhibition of human Nav1.5 by automated patch-clamp assay
50018961	4	ChEMBL_2296115	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC-MS/MS analysis
50018961	5	ChEMBL_2296116	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate in presence of NADPH by LC-MS/MS analysis
50018961	6	ChEMBL_2296117	Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate in presence of NADPH by LC-MS/MS analysis
50018961	7	ChEMBL_2296118	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis
50018961	8	ChEMBL_2296119	Inhibition of CYP2C19 in human liver microsomes using s-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis
50018961	9	ChEMBL_2296120	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis
50018961	10	ChEMBL_2296121	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC-MS/MS analysis
50018961	11	ChEMBL_2296122	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis
50018962	1	ChEMBL_2296131	Agonist activity at human mGluR7 expressed in CHO cells expressing CRE-Luc reporter gene assessed as reduction in forskolin-stimulated cAMP production preincubated for 15 mins followed by forskolin stimulation and measured after 5 hrs by luminescence based Steady glo assay
50018962	2	ChEMBL_2296160	Agonist activity at mouse mGluR7 expressed in CHO cells expressing CRE-Luc reporter gene assessed as reduction in forskolin-stimulated cAMP production preincubated for 15 mins followed by forskolin stimulation and measured after 5 hrs by luminescence based Steady glo assay
50018962	3	ChEMBL_2296164	Agonist activity at human mGluR7b expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation
50018962	4	ChEMBL_2296165	Antagonist activity at mGluR7 (unknown origin) assessed as inhibition of L-AP4 stimulated decrease in forskolin induced cAMP response by CRE-Luc assay
50018963	1	ChEMBL_2296174	Inhibition of human AMCase using 4-methylumbelliferyl-beta-D-N,N',N''-triacetylchitotriose as substrate assessed as substrate hydrolysis by measuring inhibition constant preincubated with compound for 20 mins and measured immediately after substrate addition by fluorescence based assay
50018963	2	ChEMBL_2296176	Inhibition of human CHIT1 using 4-methylumbelliferyl-beta-D-N,N',N''-triacetylchitotriose as substrate assessed as substrate hydrolysis by measuring inhibition constant preincubated with compound for 20 mins and measured immediately after substrate addition by fluorescence based assay relative to control
50018964	1	ChEMBL_2296185	Inhibition of His-tagged KRAS G12D mutant (unknown origin) using biotinylated KRPep-2d as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by LANCE TR-FRET assay
50018964	2	ChEMBL_2296186	Inhibition of N-terminal His-tagged GDP-bound KRAS G12D mutant (1 to 169 residues) (unknown origin) assessed as inhibition of SOS mediated nucleotide exchange preincubated for 2 hrs followed by addition of SOS protein and unlabeled GTP measured after 30 mins by Alphascreen assay
50018964	3	ChEMBL_2296187	Inhibition of KRAS G12D mutant in human ASPC1 cells assessed as reduction in ERK1/2 phosphorylation level incubated for 2 hrs by MSD assay
50018965	1	ChEMBL_2296198	Antibacterial activity against Enterococcus faecalis ATCC 29212 incubated for 16 hrs by broth microdilution method
50018966	1	ChEMBL_2296216	Binding affinity to recombinant human CTLA4 assessed as binding constant at 150 to 200 micromol/L measured for 600 sec bio-layer interferometry assay
50018967	1	ChEMBL_2296260	Inhibition of porcine pancreatic alpha-amylase using starch as substrate incubated for 10 mins by absorbance based assay
50018968	1	ChEMBL_2296336	Inhibition of CDK2 (unknown origin)
50018968	2	ChEMBL_2296337	Inhibition of EGFR (unknown origin)
50018969	1	ChEMBL_2296376	Inhibition of ROCK2 (unknown origin) assessed as inhibition constant
50018969	2	ChEMBL_2296377	Inhibition of ROCK2 (unknown origin)
50018969	3	ChEMBL_2296378	Inhibition of human recombinant ROCK2 using 5FAM-AKRRRLSSLRA-COOH as substrate preincubated for 10 mins followed by substrate addition in presence of ATP and measured after 45 mins by TR-FRET assay
50018969	4	ChEMBL_2296379	Inhibition of ROCK1 (unknown origin)
50018969	5	ChEMBL_2296380	Inhibition of human recombinant ROCK1 using S6-peptide as substrate as substrate preincubated for 10 mins followed by 33P-labeled ATP addition and measured after 20 mins by Micro-Beta counter analysis
50018969	6	ChEMBL_2296381	Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate in presence of ATP by microplate reader analysis
50018969	7	ChEMBL_2296382	Inhibition of human ROCK1
50018969	8	ChEMBL_2296387	Inhibition of ROCK2 (unknown origin) using STK2 as substrate incubated for 4 hrs by HTRF assay
50018969	9	ChEMBL_2296388	Inhibition of PKA (unknown origin)
50018969	10	ChEMBL_2296389	Inhibition of human recombinant ROCK2 assessed as inhibition constant by microfluidic mobility shift method
50018969	11	ChEMBL_2296390	Inhibition of GST-tagged ROCK1 (1 to 535 residues) (unknown origin) using S6-peptide as substrate preincubated for 15 mins followed by 33P-ATP addition and measured after 120 mins by scintillation counter analysis
50018969	12	ChEMBL_2296391	Inhibition of GST-tagged ROCK2 (5 to 554 residues) (unknown origin) using S6-peptide as substrate preincubated for 15 mins followed by 33P-ATP addition and measured after 120 mins by scintillation counter analysis
50018969	13	ChEMBL_2296392	Inhibition of ROCK1 (unknown origin) incubated for 1 hr by KTNOMEscan kinase assay
50018969	14	ChEMBL_2296393	Inhibition of ROCK2 (unknown origin) incubated for 1 hr by KTNOMEscan kinase assay
50018969	15	ChEMBL_2296394	Inhibition of ROCK2 (unknown origin) using 33P-ATP as substrate and measured after 120 mins by radiometric analysis
50018969	16	ChEMBL_2296395	Inhibition of ROCK2 in rat A7R5 cells assessed as MLC phosphorylation at T18/S19 by ELISA
50018969	17	ChEMBL_2296397	Inhibition of ROCK2 (unknown origin) using KKRPQRRYSNVF as substrate preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in presence of ATP by Z'-LYTE fluorescence plate reader assay
50018969	18	ChEMBL_2296398	Inhibition of ROCK1 (unknown origin) using KKRPQRRYSNVF as substrate preincubated for 1 hrs followed by substrate addition and measured after 1 hrs in presence of ATP by Z'-LYTE fluorescence plate reader assay
50018969	19	ChEMBL_2296399	Inhibition of ROCK2 (unknown origin) using S6-peptide as substrate in presence of [33P]-ATP by HTRF assay
50018969	20	ChEMBL_2296400	Inhibition of recombinant human C-terminally-His tagged NAMPT incubated for 2 to 3 hrs by TR-FRET assay
50018969	21	ChEMBL_2296401	Inhibition of ROCK1 (unknown origin) assessed as inhibition constant
50018969	22	ChEMBL_2296404	Inhibition of AKT3 (unknown origin)
50018969	23	ChEMBL_2296405	Inhibition of RSK1 (unknown origin)
50018969	24	ChEMBL_2296406	Inhibition of AKT2 (unknown origin)
50018969	25	ChEMBL_2296408	Inhibition of AKT1 (unknown origin)
50018969	26	ChEMBL_2296410	Inhibition of SGK3 (unknown origin)
50018970	1	ChEMBL_2296430	Antagonist activity at CXCR3 (unknown origin) assessed as reduction in CXCL10 induced calcium flux by FLIPR method
50018971	1	ChEMBL_2296492	Inhibition of human recombinant beta-hexosaminidase
50018971	2	ChEMBL_2296493	Inhibition of Pseudomonas aeruginosa LasB elastase using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as substrate b microtiter-based fluorimetric assay
50018971	3	ChEMBL_2296494	Inhibition of Pseudomonas aeruginosa LasB elastase
50018971	4	ChEMBL_2296495	Inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQ
50018971	5	ChEMBL_2296496	Inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQ incubated for 4 hrs
50018971	6	ChEMBL_2296497	Inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQ measured after 5 mins
50018971	7	ChEMBL_2296498	Inhibition of wild type Pseudomonas aeruginosa PAO1 pvdQ
50018971	8	ChEMBL_2296499	Competitive inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQ
50018971	9	ChEMBL_2296501	Binding affinity to Pseudomonas aeruginosa PAO1 LecA assessed as dissociation constant
50018971	10	ChEMBL_2296502	Inhibition of Pseudomonas aeruginosa LecB
50018972	1	ChEMBL_2296571	Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate assessed as reduction in O-deethylation of phenacetin incubated for 5 mins in presence of beta-NADPH by LC-MS/MS analysis
50018972	2	ChEMBL_2296572	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	3	ChEMBL_2296573	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	4	ChEMBL_2296574	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	5	ChEMBL_2296575	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	6	ChEMBL_2296576	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	7	ChEMBL_2296577	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	8	ChEMBL_2296578	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	9	ChEMBL_2296579	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	10	ChEMBL_2296580	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in substrate hydroxylation incubated for 5 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	11	ChEMBL_2296581	Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate assessed as reduction in O-deethylation of phenacetin incubated for 30 mins in presence of beta-NADPH by LC-MS/MS analysis
50018972	12	ChEMBL_2296582	Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	13	ChEMBL_2296583	Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	14	ChEMBL_2296584	Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	15	ChEMBL_2296585	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	16	ChEMBL_2296586	Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	17	ChEMBL_2296588	Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	18	ChEMBL_2296589	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018972	19	ChEMBL_2296590	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as reduction in substrate hydroxylation incubated for 30 mins in presence of beta-NADPH measured by LC-MS/MS analysis
50018973	1	ChEMBL_2296626	Agonist activity at human Y1R expressed in myo-[2-3H]-inositol labelled African green monkey COS7 cells coexpressing chimeric Galphadelta6qi4myr protein assessed as accumulation of [2-3H]-IP after 1 hr by scintillation counting analysis
50018973	2	ChEMBL_2296627	Agonist activity at human Y2R expressed in myo-[2-3H]-inositol labelled African green monkey COS7 cells coexpressing chimeric Galphadelta6qi4myr protein assessed as accumulation of [2-3H]-IP after 1 hr by scintillation counting analysis
50018974	1	ChEMBL_2296651	Inhibition of human COX2
50018974	2	ChEMBL_2296652	Inhibition of human COX1
50018974	3	ChEMBL_2296653	Inhibition of COX1 (unknown origin)
50018974	4	ChEMBL_2296654	Inhibition of COX2 (unknown origin)
50018974	5	ChEMBL_2296655	Inhibition of 5-LOX (unknown origin)
50018975	1	ChEMBL_2296677	Inhibition of recombinant CYP1A1 (unknown origin) assessed as decrease in EROD activity using 7-ethoxyresorufin as substrate incubated for 15 mins by resorufin dye based spectrofluorimetry
50018976	1	ChEMBL_2296723	Inhibition of recombinant 6His-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) autophosphorylation expressed in baculovirus infected Sf9 insect cells preincubated for 10 mins followed by ATP and MgCl2 addition measured after 60 mins by DELFIA/time-resolved fluorometric analysis
50018978	1	ChEMBL_2296842	Inhibition of RAF1 (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based hotspot kinase assay
50018978	2	ChEMBL_2296844	Inhibition of MAPK14 (p38 alpha) (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based hotspot kinase assay
50018978	3	ChEMBL_2296847	Inhibition of B-RAF V600E mutant (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based hotspot kinase assay
50018978	4	ChEMBL_2296849	Inhibition of B-RAF (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting based hotspot kinase assay
50018979	1	ChEMBL_2296894	Inhibition of heparanase (unknown origin)
50018979	2	ChEMBL_2296895	Binding affinity to heparanase (unknown origin) assessed as inhibition constant
50018979	3	ChEMBL_2296896	Inhibition of heparanase (unknown origin) incubated for 18 hrs by fondaparinux assay
50018979	4	ChEMBL_2296898	Inhibition of mouse P-selectin assessed as inhibition of adhesion to human LS180 cells to immobilized P-selectin incubated for 1 hrs by ELISA
50018979	5	ChEMBL_2296903	Inhibition of human heparanase using fondaparinux as substrate incubated for 18 hrs by Polymer-H fluorescence assay
50018979	6	ChEMBL_2296904	Inhibition of human heparanase assessed as reduction in basic fibroblast growth factor binding incubated for 2 hrs by microplate reader assay
50018980	1	ChEMBL_2296905	Binding affinity to FXa (unknown origin) assessed as inhibition constant
50018980	2	ChEMBL_2296906	Binding affinity to human FXa assessed as inhibition constant
50018982	1	ChEMBL_2296940	Antagonist activity at pA2 (unknown origin)
50018982	2	ChEMBL_2296941	Antagonist activity at human P2Y1 by FLIPR assay
50018982	3	ChEMBL_2296942	Inhibition of human P2Y1
50018982	4	ChEMBL_2296943	Agonist activity at human P2Y1
50018982	5	ChEMBL_2296944	Displacement of [beta-33p]-2-MeS-ADP from human P2Y1
50018982	6	ChEMBL_2296945	Inhibition of human P2Y1 assessed as inhibition constant
50018982	7	ChEMBL_2296954	Antagonist activity at human pA2 by FLIPR assay
50018982	8	ChEMBL_2296959	Inhibition of human P2Y1 by FLIPR assay
50018982	9	ChEMBL_2296960	Agonist activity at human P2Y2 transfected in human 1321N1 cells
50018982	10	ChEMBL_2296961	Agonist activity at human P2Y2
50018982	11	ChEMBL_2296963	Antagonist activity at mouse P2Y2
50018982	12	ChEMBL_2296964	Agonist activity at human P2Y4 transfected in human 1321N1 cells
50018982	13	ChEMBL_2296967	Antagonist activity at human P2Y4
50018982	14	ChEMBL_2296968	Antagonist activity at rat P2Y4
50018982	15	ChEMBL_2296969	Antagonist activity at rat P2Y4 transfected in xenopus oocyte cell
50018982	16	ChEMBL_2296970	Antagonist activity at rat PA2 transfected in xenopus oocyte cell
50018982	17	ChEMBL_2296971	Antagonist activity at P2Y6 (unknown origin)
50018982	18	ChEMBL_2296972	Antagonist activity at human P2Y6
50018982	19	ChEMBL_2296974	Antagonist activity at P2Y12 (unknown origin)
50018982	20	ChEMBL_2296976	Displacement of [3H]-2-MeS-ADP from human P2Y12 assessed as inhibition constant incubated for 30 mins
50018982	21	ChEMBL_2296977	Antagonist activity at human P2Y12
50018982	22	ChEMBL_2296978	Antagonist activity at human P2Y12 assessed as inhibition constant
50018982	23	ChEMBL_2296979	Antagonist activity at P2Y13 (unknown origin)
50018982	24	ChEMBL_2296983	Antagonist activity at rat P2Y14
50018982	25	ChEMBL_2296984	Agonist activity at human P2Y14 expressed in HEK293 cells
50018982	26	ChEMBL_2296985	Agonist activity at human P2Y14 expressed in rat C6 cells
50018982	27	ChEMBL_2296986	Agonist activity at human P2Y14 expressed in rat CHO cells
50018982	28	ChEMBL_2296987	Antagonist activity at human P2Y14 using UDP-Glc as substrate
50018982	29	ChEMBL_2296988	Antagonist activity at human recombinant P2Y14 assessed as inhibition constant
50018982	30	ChEMBL_2296999	Antagonist activity at human P2Y14 expressed in CHO cells assessed as inhibition constant
50018983	1	ChEMBL_2297002	Binding affinity to HIV-1 protease assessed as inhibition constant
50018983	2	ChEMBL_2297012	Inhibition of HIV-1 protease
50018983	3	ChEMBL_2297017	Inhibition of HIV1 reverse transcriptase
50018984	1	ChEMBL_2297096	Inhibition of COX2 in rat macrophages using arachidonic acid as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 20 mins by EIA
50018984	2	ChEMBL_2297097	Inhibition of 5-LOX in Sprague-Dawley rat leukocytes preincubated for 30 mins followed by calcium ionophore A23187 addition and measured after 20 mins by EIA
50018985	1	ChEMBL_2297105	Binding affinity to human HGPRT assessed as inhibition of constant
50018985	2	ChEMBL_2297137	Inhibition of Staphylococcus aureus MraY
50018985	3	ChEMBL_2297141	Antimicrobial activity against Enterococcus faecalis ATCC 29212 assessed as microbial growth inhibition
50018985	4	ChEMBL_2297150	Inhibition of Bacillus subtilis MraY
50018985	5	ChEMBL_2297159	Inhibition of MraY in Escherichia coli K12
50018985	6	ChEMBL_2297160	Inhibition of MraY in Escherichia coli
50018985	7	ChEMBL_2297169	Binding affinity to ADK (unknown origin) assessed as inhibition constant
50018985	8	ChEMBL_2297186	Inhibition of Escherichia coli K12 methionyl tRNA synthetase
50018985	9	ChEMBL_2297190	Binding affinity to human Prolyl-tRNA synthetase
50018985	10	ChEMBL_2297192	Binding affinity to Escherichia coli K12 Prolyl-tRNA synthetase
50018985	11	ChEMBL_2297193	Binding affinity to Escherichia coli K12 glutaminyl-tRNA synthetase assessed as inhibition constant
50018985	12	ChEMBL_2297195	Inhibition of ACT (unknown origin)
50018986	1	ChEMBL_2297235	Inhibition of telomerase activity in human SGC-7901 cells incubated for 24 hrs by TRAP-PCR-ELISA assay
50018988	1	ChEMBL_2297239	Inhibition of angiotensin-converting enzyme (unknown origin)
50018988	2	ChEMBL_2297240	Inhibition of rabbit lung angiotensin-converting enzyme
50018988	3	ChEMBL_2297242	Binding affinity to angiotensin-converting enzyme in rabbit lung assessed as inhibition constant
50018988	4	ChEMBL_2297243	Binding affinity to angiotensin-converting enzyme (unknown origin) assessed as inhibition constant
50018988	5	ChEMBL_2297244	Binding affinity to neutral endopeptidase (unknown origin) assessed as inhibition constant
50018988	6	ChEMBL_2297245	Binding affinity to rat kidney neutral endopeptidase
50018988	7	ChEMBL_2297246	Inhibition of neutral endopeptidase (unknown origin)
50018988	8	ChEMBL_2297247	Inhibition of human plasma renin
50018988	9	ChEMBL_2297250	Binding affinity to B2 bradykinin receptor (unknown origin)
50018988	10	ChEMBL_2297251	Binding affinity to insulin regulated aminopeptidase (unknown origin)
50018988	11	ChEMBL_2297252	Binding affinity to human somatostatin receptor type 1
50018988	12	ChEMBL_2297253	Binding affinity to human somatostatin receptor type 2
50018988	13	ChEMBL_2297254	Binding affinity to human somatostatin receptor type 3
50018988	14	ChEMBL_2297255	Binding affinity to human somatostatin receptor type 4
50018988	15	ChEMBL_2297256	Binding affinity to human somatostatin receptor type 5
50018988	16	ChEMBL_2297257	Inhibition of human somatostatin receptor type 1
50018988	17	ChEMBL_2297258	Inhibition of human somatostatin receptor type 2
50018988	18	ChEMBL_2297259	Inhibition of human somatostatin receptor type 3
50018988	19	ChEMBL_2297260	Inhibition of human somatostatin receptor type 4
50018988	20	ChEMBL_2297261	Inhibition of human somatostatin receptor type 5
50018988	21	ChEMBL_2297262	Inhibition of rat somatostatin receptor type 5
50018988	22	ChEMBL_2297263	Inhibition of [125I]BHSP binding to neurokinin receptor 1 in rat brain synaptosomes
50018988	23	ChEMBL_2297265	Inhibition of [3H]SP binding to human neurokinin receptor 1 expressed in CHO cells
50018988	24	ChEMBL_2297266	Agonist activity at human melanocortin receptor 3
50018988	25	ChEMBL_2297267	Agonist activity at human melanocortin receptor 4
50018988	26	ChEMBL_2297268	Agonist activity at human melanocortin receptor 5
50018988	27	ChEMBL_2297272	Inhibition of MOR (unknown origin)
50018988	28	ChEMBL_2297273	Inhibition of DOR (unknown origin)
50018988	29	ChEMBL_2297274	Binding affinity to mu opioid receptor (unknown origin) assessed as inhibition constant
50018988	30	ChEMBL_2297275	Binding affinity to delta opioid receptor (unknown origin) assessed as inhibition constant
50018989	1	ChEMBL_2297334	Blockade of whole cell current in GluA3i-G (unknown origin) transfected in HEK293 cells measured at -60 mV in presence of glutamate by whole cell patch clamp assay
50018990	1	ChEMBL_2297411	Inhibition of CYP1A2 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC/MS/MS analysis
50018990	2	ChEMBL_2297412	Inhibition of CYP2C19 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC/MS/MS analysis
50018990	3	ChEMBL_2297413	Inhibition of CYP2C9 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC/MS/MS analysis
50018990	4	ChEMBL_2297414	Inhibition of CYP2D6 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC/MS/MS analysis
50018990	5	ChEMBL_2297415	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by NADPH addition and measured after 8 mins by LC/MS/MS analysis
50018990	6	ChEMBL_2297440	Binding affinity to MAO-B (unknown origin)
50018990	7	ChEMBL_2297441	Binding affinity to MAO-A (unknown origin)
50018990	8	ChEMBL_2297442	Positive allosteric modulator activity at rat mGlu8 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition by thallium flux assay
50018990	9	ChEMBL_2297443	Positive allosteric modulator activity at rat mGlu7 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition by thallium flux assay
50018990	10	ChEMBL_2297444	Positive allosteric modulator activity at human mGlu6 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition by thallium flux assay
50018990	11	ChEMBL_2297445	Positive allosteric modulator activity at rat mGlu5 in human HEK cells assessed as increase in calcium flux preincubated for 2.5 mins followed by gluatamate addition by Fluo-4 AM dye based calcium mobilization assay
50018990	12	ChEMBL_2297446	Positive allosteric modulator activity at rat mGlu3 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition by thallium flux assay
50018990	13	ChEMBL_2297447	Positive allosteric modulator activity at rat mGlu2 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition by thallium flux assay
50018990	14	ChEMBL_2297448	Positive allosteric modulator activity at rat mGlu1 in human HEK cells assessed assessed as increase in calcium flux preincubated for 2.5 mins followed by gluatamate addition by Fluo-4 AM dye based calcium mobilization assay
50018990	15	ChEMBL_2297450	Positive allosteric modulator activity at rat mGlu4 in human HEK cells co-expressing GRIK assessed as increase in by thallium flux preincubated for 2.5 mins followed by gluatamate addition and measured for 2 mins by thallium flux assay
50018990	16	ChEMBL_2297452	Positive allosteric modulator activity at human mGlu4 in Chinese hamster CHO cells co-expressing Gqi5 assessed as increase in calcium flux preincubated for 2.5 mins followed by gluatamate addition and measured for 2 mins by Fluo-4 AM dye based calcium mobilization assay
50018991	1	ChEMBL_2297453	Inhibition of human SGLT2
50018994	1	ChEMBL_2297510	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-glycoside as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50018994	2	ChEMBL_2297511	Inhibition of PTP1B (unknown origin) using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured every 30 sec for 10 mins by microplate photometer analysis
50018995	1	ChEMBL_2297512	Inhibition of ovine COX-2 assessed as reduction in PGF2alpha production by enzyme immunoassay
50018995	2	ChEMBL_2297513	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and measured after 2 mins by fluorescence spectrum analysis
50018995	3	ChEMBL_2297514	Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and measured after 2 mins by fluorescence spectrum analysis
50018997	1	ChEMBL_2297558	Inhibition of recombinant N-terminal His-Avi-tag human FGFR3 (447 to 761 residues) expressed in Sf9 infected baculovirus expression system using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by HTRF assay
50018997	2	ChEMBL_2297559	Inhibition of recombinant human wild type FGFR1 (399 to 820 residues) using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by HTRF assay
50018997	3	ChEMBL_2297561	Inhibition of recombinant human FGFR4 (460 to 802 residues) using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by HTRF assay
50018997	4	ChEMBL_2297562	Inhibition of recombinant human FGFR2 (400 to 821 residues) using biotin-EQEDEPEGDYFEWLE-amide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 1 hr in presence of ATP by HTRF assay
50018997	5	ChEMBL_2297563	Inhibition of recombinant human ALK2 (147 to end residues) expressed in Sf9 infected baculovirus expression system using TRF0130 as substrate incubated for 3 hrs in presence of APT
50018997	6	ChEMBL_2297565	Inhibition of FGFR3 phosphorylation in mouse BaF3 cells incubated for 2 hrs
50018997	7	ChEMBL_2297569	Inhibition of FGFR2 in human KATOIII cells incubated for 1 hr
50018997	8	ChEMBL_2297580	Inhibition of CYP1A2 (unknown origin)
50018997	9	ChEMBL_2297581	Inhibition of CYP2B6 (unknown origin)
50018997	10	ChEMBL_2297582	Inhibition of CYP2C9 (unknown origin)
50018997	11	ChEMBL_2297583	Inhibition of CYP2D6 (unknown origin)
50018997	12	ChEMBL_2297584	Inhibition of CYP3A4 (unknown origin)
50018997	13	ChEMBL_2297585	Inhibition of KDR (unknown origin) using peptide substrate incubated for 90 mins in presence of ATP by HTRF method
50018998	1	ChEMBL_2297594	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant using SRC1 as coactivator peptide by isothermal titration calorimetry analysis
50018998	2	ChEMBL_2297595	Binding affinity to human RXRalpha-LBD (224 to 462 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant using PGC-1alpha as coactivator peptide by isothermal titration calorimetry analysis
50018998	3	ChEMBL_2297602	Binding affinity to human PPARgamma-LBD (206 to 477 residues)/human RXRalpha-LBD (224 to 462 residues) heterodimer assessed as dissociation constant using PGC-1alpha as coactivator peptide by isothermal titration calorimetry analysis
50018998	4	ChEMBL_2297606	Displacement of CU-6PMN from human PPARgamma-LBD (206 to 477 residues)/human RXRalpha-LBD (224 to 462 residues) heterodimer incubated for 30 mins by fluorospectrometer
50018999	1	ChEMBL_2297628	Binding affinity to QSOX1 (unknown origin) assessed as dissociation constant
50019000	1	ChEMBL_2297632	Inhibition of CDK2/Cyclin E1 (unknown origin) assessed as inhibition of substrate peptide phosphorylation using eIF4E-binding protein 1 as peptide substrate incubated for 4 hrs in presence of ATP by Lance Ultra HTRF assay
50019000	2	ChEMBL_2297645	Inhibition of CDK4/Cyclin D1 (unknown origin)
50019000	3	ChEMBL_2297646	Inhibition of CDK6/Cyclin D3 (unknown origin)
50019000	4	ChEMBL_2297647	Inhibition of CDK9/Cyclin T1 (unknown origin) assessed as inhibition of substrate peptide phosphorylation using MBP as peptide substrate incubated for 2 hrs in presence of ATP by Lance Ultra HTRF assay
50019000	5	ChEMBL_2297648	Inhibition of GSK3beta (unknown origin) assessed as inhibition of substrate peptide phosphorylation using eIF4E-binding protein 1 as peptide substrate incubated for 1 hr in presence of ATP by Lance Ultra HTRF assay
50019001	1	ChEMBL_2297660	Inhibition of BTK (unknown origin) using Blk/Lyntide as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs in presence of ATP by IMAP assay
50019001	2	ChEMBL_2297661	Inhibition of BLK (unknown origin) incubated for 1 hr in presence of ATP by Z'LYTE assay
50019001	3	ChEMBL_2297662	Inhibition of BMX (unknown origin) incubated for 1 hr in presence of ATP by Z'LYTE assay
50019001	4	ChEMBL_2297663	Inhibition of ITK (unknown origin) using Blk/Lyntide as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs in presence of ATP by IMAP assay
50019001	5	ChEMBL_2297664	Inhibition of EGFR (unknown origin) incubated for 1 hr in presence of ATP by Z'LYTE assay
50019001	6	ChEMBL_2297665	Inhibition of HCK (unknown origin) incubated for 1 hr in presence of ATP by Z'LYTE assay
50019001	7	ChEMBL_2297666	Inhibition of JAK3 (unknown origin) incubated for 1 hr in presence of ATP by Z'LYTE assay
50019001	8	ChEMBL_2297681	Covalent inhibition of NanoLuc fused BTK (unknown origin) expressed in HEK293 cells incubated for 90 mins by NanoBRET assay
50019001	9	ChEMBL_2297691	Inhibition of BTK (unknown origin) by Z'LYTE assay
50019001	10	ChEMBL_2297692	Inhibition of BLK (unknown origin) by Z'LYTE assay
50019001	11	ChEMBL_2297693	Inhibition of BMX (unknown origin) by Z'LYTE assay
50019001	12	ChEMBL_2297694	Inhibition of ITK (unknown origin) by Z'LYTE assay
50019001	13	ChEMBL_2297695	Inhibition of EGFR (unknown origin) by Z'LYTE assay
50019001	14	ChEMBL_2297696	Inhibition of HCK (unknown origin) by Z'LYTE assay
50019001	15	ChEMBL_2297697	Inhibition of JAK3 (unknown origin) by Z'LYTE assay
50019001	16	ChEMBL_2297698	Inhibition of SRC (unknown origin) by Z'LYTE assay
50019002	1	ChEMBL_2297795	Inhibition of human IBAT
50019002	2	ChEMBL_2297796	Inhibition of mouse TGR5
50019002	3	ChEMBL_2297799	Inhibition of human NHE3
50019002	4	ChEMBL_2297803	Inhibition of mouse DPP4
50019004	1	ChEMBL_2297882	Inhibition of PTP1B (unknown origin) by DAS-ELISA
50019004	2	ChEMBL_2297883	Inhibition of TCPTP (unknown origin) by DAS-ELISA
50019004	3	ChEMBL_2297884	Inhibition of CDC25B (unknown origin) by DAS-ELISA
50019006	1	ChEMBL_2297887	Binding affinity to human recombinant PTGER2 assessed as dissociation constant by high throughput fluorescence polarization assay
50019007	1	ChEMBL_2297891	Activation of Kir6.2/SUR1 (unknown origin) channel opening expressed in human T-REx-293 cells by thallium flux assay
50019007	2	ChEMBL_2297894	Activation of human Kir6.2/SUR1 channel outward current expressed in HEK293 cells at -70 mV holding potential by EPC9 patch-clamp amplifier based assay
50019007	3	ChEMBL_2297895	Activation of Kir6.2/SUR1 (unknown origin) channel opening
50019008	1	ChEMBL_2297913	Inhibition of RAD51 (unknown origin) assessed as reduction in novel 58/33-dsDNA formation incubated for 1 hr by electrophoresis based DNA strand exchange assay
50019008	2	ChEMBL_2297914	Inhibition of RAD51 (unknown origin) using labeled 100-ss DNA as substrate assessed as reduction in DNA D-loop formation by [gamma-32P]ATP based scintillation counter method
50019008	3	ChEMBL_2297915	Inhibition of RAD51 (unknown origin) using 32P-labeled 90 mer ssDNA as substrate assessed as reduction in DNA D-loop formation preincubated for 30 mins followed by supercoiled pUC19 dsDNA addition and measured after 15 mins by agarose gel electrophoresis
50019008	4	ChEMBL_2297919	Inhibition of wild type human RAD51 expressed in Escherichia coli BL21-DE3 using 100 bp ssDNA probe as substrate assessed as prevention of D-loop formation preincubated for 5 mins followed by plasmid DNA addition and measured after 15 mins by agarose gel electrophoresis method
50019008	5	ChEMBL_2297921	Inhibition of RAD51 (unknown origin) mediated homologous recombination
50019009	1	ChEMBL_2297932	Inhibition of recombinant human HTRA1 using H2-OPT as substrate assessed as increase in fluorescence and measured for 2 hrs by fluorescent plate reader analysis
50019009	2	ChEMBL_2297933	Inhibition of recombinant human HTRA2 using H2-OPT as substrate assessed as increase in fluorescence and measured for 2 hrs by fluorescent plate reader analysis
50019010	1	ChEMBL_2297943	Inhibition of IL-4 induced STAT6 signaling in human HepG2 cells harboring pRL-EF1alpha, pGL3-TK-7xN4 and TOPO-Stat6 plasmid assessed as luciferase activity incubated for 24 hrs by Promega reporter rene assay
50019010	2	ChEMBL_2297944	Inhibition of TGF-beta induced Smad2/3 signaling in human HepG2 cells harboring pRL-EF1alpha, (CAGA)9x-MLP-Luc plasmid assessed as luciferase activity incubated for 24 hrs by Promega reporter rene assay
50019011	1	ChEMBL_2297962	Inhibition of GSK-3beta (unknown origin)
50019012	1	ChEMBL_2298025	Inhibition of SOS1 (unknown origin)
50019013	1	ChEMBL_2298041	Partial agonist activity at FXR-LBD-GST (unknown origin) by TR-FRET assay
50019013	2	ChEMBL_2298043	Partial agonist activity at human FXR expressed in Huh-7 cells in presence of CDCA by luciferase reporter gene assay
50019013	3	ChEMBL_2298045	Antagonist activity at FXR-LBD-GST (unknown origin) in presence of GW4064
50019013	4	ChEMBL_2298061	Partial agonist activity at PPARgamma (unknown origin) by luciferase reporter gene assay
50019013	5	ChEMBL_2298063	Partial agonist activity at PPARgamma (unknown origin) in presence of GW1929
50019014	1	ChEMBL_2298069	Positive allosteric modulation of human GPR40 expressed in HEK293 cells
50019014	2	ChEMBL_2298071	Transactivation of PPARgamma (unknown origin)
50019014	3	ChEMBL_2298072	Positive allosteric modulation of human GPR40 by calcium based FLIPR analysis
50019014	4	ChEMBL_2298073	Positive allosteric modulation of human GPR40 expressed in HEK293 cells assessed as cAMP accumulation
50019014	5	ChEMBL_2298076	Positive allosteric modulation of mouse GPR40
50019014	6	ChEMBL_2298104	Inhibition of CYP2B6 in human liver microsomes
50019014	7	ChEMBL_2298105	Inhibition of CYP2C8 in human liver microsomes
50019014	8	ChEMBL_2298106	Inhibition of CYP2C9 in human liver microsomes
50019014	9	ChEMBL_2298107	Inhibition of CYP2C19 in human liver microsomes
50019014	10	ChEMBL_2298108	Inhibition of CYP2D6 in human liver microsomes
50019014	11	ChEMBL_2298109	Inhibition of CYP3A4 in human liver microsomes
50019015	1	ChEMBL_2298227	Inhibition of Staphylococcus aureus FTsZ GTPase activity
50019016	1	ChEMBL_2298238	Inhibition of 6His tagged NOXO1 (149 to 286 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation constant at 800 uM by isothermal titration calorimetry
50019017	1	ChEMBL_2298257	Inhibition of Escherichia coli DNA gyrase ATPase activity using pBR322 as substrate incubated for 10 mins in presence of NADH and ATP by supercoiling assay
50019018	1	ChEMBL_2298259	Inhibition of hERG expressed in CHO cells by automated patch clamp method
50019019	1	ChEMBL_2298648	Inhibition of EGFR (unknown origin) by fluorimetric assay
50019019	2	ChEMBL_2298649	Inhibition of DHFR (unknown origin) incubated for 2 to 5 mins by absorbance based analysis
50019020	1	ChEMBL_2298650	Inhibition of IDO1 (unknown origin) expressed in human HeLa cells
50019020	2	ChEMBL_2298651	Inhibition of TDO (unknown origin) expressed in HEK cells
50019020	3	ChEMBL_2298655	Transactivation of PXR (unknown origin)
50019020	4	ChEMBL_2298656	Inhibition of hERG
50019020	5	ChEMBL_2298657	Inhibition of CYP2C9 (unknown origin)
50019020	6	ChEMBL_2298658	Inhibition of CYP2C8 (unknown origin)
50019020	7	ChEMBL_2298660	Inhibition of CYP2C19 (unknown origin)
50019020	8	ChEMBL_2298661	Inhibition of CYP2B6 (unknown origin)
50019020	9	ChEMBL_2298663	Inhibition of human CYP1A2
50019020	10	ChEMBL_2298664	Inhibition of human CYP2C19
50019020	11	ChEMBL_2298665	Inhibition of human CYP2C9
50019020	12	ChEMBL_2298666	Inhibition of human CYP2D6
50019020	13	ChEMBL_2298667	Inhibition of human CYP3A4
50019020	14	ChEMBL_2298668	Inhibition of human CYP2C8
50019020	15	ChEMBL_2298669	Inhibition of human CYP2B6
50019021	1	ChEMBL_2298676	Inhibition of recombinant human GSK3beta (636 to 661 residues) assessed as reduction in human muscle glycogen synthase type 1 fragment phosphorylation using YRRAAVPPSPSLSRHSSPHQ(pS)EDE as substrate in presence of ATP incubated for 60 mins by ADP-Glo kinase assay
50019023	1	ChEMBL_2298688	Inhibition of rat brain COMT using pyrocatechol as substrate by radiometric assay
50019024	1	ChEMBL_2298693	Inhibition of CDK2/Cyclin E (unknown origin)
50019024	2	ChEMBL_2298696	Inhibition of CDK4/Cyclin D1 (unknown origin)
50019024	3	ChEMBL_2298697	Inhibition of CDK6/Cyclin D3 (unknown origin)
50019028	1	ChEMBL_2298700	Inhibition of IDH1 R132H mutant (unknown origin)
50019029	1	ChEMBL_2298850	Agonist activity at GPR-35 in human HT-29 cells by DMR assay
50019029	2	ChEMBL_2298851	Agonist activity at GPR-35 in human HT-29 cells assessed as desensitization of zaprinast induced DMR response incubated for 1 hr followed by zaprinast stimulation
50019029	3	ChEMBL_2298852	Agonist activity at GPR-35 in human HT-29 cells assessed as desensitization of zaprinast induced DMR response incubated for 1 hr followed by zaprinast stimulation in presence of ML-145
50019029	4	ChEMBL_2298854	Binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells using furimazine as substrate incubated for 30 mins in presence of zaprinast followed by substrate addition by BERT-based equilibrium binding assay
50019029	5	ChEMBL_2298856	Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide
50019029	6	ChEMBL_2298857	Agonist activity at GPR-35 in human HT-29 cells incubated for 1 hr by DMR assay
50019029	7	ChEMBL_2298858	Agonist activity at GPR-35 (unknown origin) expressed in HT-29 cells by DMR assay
50019029	8	ChEMBL_2298859	Agonist activity at GPR-35 (unknown origin) by beta-arrestin assay
50019029	9	ChEMBL_2298860	Antagonist activity at GPR-35 (unknown origin) by beta-arrestin assay
50019029	10	ChEMBL_2298861	Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 100 nM of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide
50019029	11	ChEMBL_2298862	Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 50 nM of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide
50019029	12	ChEMBL_2298863	Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 40 nM of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide
50019029	13	ChEMBL_2298864	Competitive binding affinity to Nluc-fused human GPR35 expressed in CHO-K1 cells assessed as inhibition constant using furimazine as substrate incubated for 30 mins followed by substrate addition by in presence of 20 nM of 10-(4-(2-(4-(4-((2,8-dicarboxy-6-hydroxy-10-methylpyrido[3,2-g]quinolin-4-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)ethoxy)phenyl)-5,5-difluoro-2,7,9-trimethyl-5H-imidazo[1,2-c]pyrrolo[2,1-f][1,3,2]diazaborinin-6-ium-5-uide
50019031	1	ChEMBL_2298866	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50019031	2	ChEMBL_2298867	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50019031	3	ChEMBL_2298868	Inhibition of HDAC2 (unknown origin) using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50019031	4	ChEMBL_2298869	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 2 hrs by fluorescence assay
50019031	5	ChEMBL_2298870	Inhibition of HDAC8 (unknown origin) using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence assay
50019032	1	ChEMBL_2298897	Inhibition of ALK (unknown origin) pre-incubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by mobility shifting assay
50019032	2	ChEMBL_2298899	Inhibition of EGFR L858R/T790M double mutant (unknown origin) pre-incubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by mobility shifting assay
50019032	3	ChEMBL_2298900	Inhibition of wild type EGFR (unknown origin) pre-incubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by mobility shifting assay
50019032	4	ChEMBL_2298901	Inhibition of EGFR Del19 mutant (unknown origin) pre-incubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by mobility shifting assay
50019034	1	ChEMBL_2298930	Inhibition of Alpha-glucosidase (unknown origin)
50019034	2	ChEMBL_2298931	Competitive inhibition of Alpha-glucosidase (unknown origin) by Lineweaver-Burk plot analysis
50019035	1	ChEMBL_2298934	Inhibition of MMP-14 (unknown origin) using 5-FAM-TDVPNGFHVS (QXL520)-NH2 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 50 mins by microplate reader assay
50019035	2	ChEMBL_2298935	Binding affinity to CMS sensor chip immobilized MMP-14 catalytic domain (unknown origin) assessed as equilibrium dissociation constant by surface plasmon resonance analysis
50019035	3	ChEMBL_2298938	Inhibition of MMP-9 (unknown origin) using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 25 mins by microplate reader assay
50019035	4	ChEMBL_2298939	Inhibition of MMP-13 (unknown origin) using QXL520-gamma-Abu-Pro-Cha-Abu-Smc-His-Ala-Dab(5-FAM)-Ala-Lys-NH2 as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 25 mins by microplate reader assay
50019037	1	ChEMBL_2298949	Inhibition of human recombinant Nek2 in presence of 50 uM ATP by ADP-Glo kinase assay
50019037	2	ChEMBL_2298950	Inhibition of human recombinant Nek2 in presence of 150 uM ATP by ADP-Glo kinase assay
50019037	3	ChEMBL_2298951	Inhibition of Aurora A (unknown origin)
50019037	4	ChEMBL_2298952	Inhibition of CDK1 (unknown origin)
50019037	5	ChEMBL_2298953	Inhibition of Nek7 (unknown origin)
50019037	6	ChEMBL_2298954	Inhibition of Plk1 (unknown origin)
50019039	1	ChEMBL_2298999	Inhibition of HDAC1 (unknown origin)
50019039	2	ChEMBL_2299000	Inhibition of HDAC2 (unknown origin)
50019039	3	ChEMBL_2299001	Inhibition of HDAC3 (unknown origin)
50019039	4	ChEMBL_2299002	Inhibition of HDAC4 (unknown origin)
50019039	5	ChEMBL_2299003	Inhibition of HDAC6 (unknown origin)
50019039	6	ChEMBL_2299004	Inhibition of HDAC11 (unknown origin)
50019040	1	ChEMBL_2299035	Activation of Nrf2 in human IMR-32-ARE-Luc cells by Bright-Glo luciferase assay
50019041	1	ChEMBL_2299038	Inhibition of ROCK1 (unknown origin)
50019041	2	ChEMBL_2299039	Inhibition of ROCK2 (unknown origin)
50019042	1	ChEMBL_2299084	Inhibition of Escherichia coli ErmC methyltransferase
50019042	2	ChEMBL_2299085	Inhibition of Bacillus subtilis ErmC' methyltransferase
50019042	3	ChEMBL_2299086	Binding affinity to Bacillus subtilis ErmC' methyltransferase assessed as inhibition constant
50019042	4	ChEMBL_2299087	Inhibition of S-COMT (unknown origin)
50019043	1	ChEMBL_2299088	Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by ATP and substate addition and measured after 1 hr by ADP-glo reagent based assay
50019043	2	ChEMBL_2299089	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by ATP and substate addition and measured after 1 hr by ADP-glo reagent based assay
50019043	3	ChEMBL_2299090	Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by ATP and substate addition and measured after 1 hr by ADP-glo reagent based assay
50019043	4	ChEMBL_2299091	Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by ATP and substate addition and measured after 1 hr by ADP-glo reagent based assay
50019044	1	ChEMBL_2299114	Inhibition of wild type ALK (unknown origin)
50019044	2	ChEMBL_2299115	Inhibition of ALK G1202R mutant (unknown origin)
50019045	1	ChEMBL_2299200	Inhibition of Bacillus cereus beta-lactamase II
50019046	1	ChEMBL_2299204	Inhibition of Nav1.7 (unknown origin) by whole-cell patch clamp assay
50019046	2	ChEMBL_2299205	Inhibition of Nav1.5 (unknown origin) by whole-cell patch clamp assay
50019046	3	ChEMBL_2299206	Inhibition of Nav1.4 (unknown origin) by whole-cell patch clamp assay
50019047	1	ChEMBL_2299219	Binding affinity to mitoNEET (unknown origin) by ITC method
50019047	2	ChEMBL_2299223	Binding affinity to mitoNEET (unknown origin) by fluorescence based assay
50019047	3	ChEMBL_2299224	Displacement of [3H]rosiglitazone from mitoNEET (unknown origin)
50019047	4	ChEMBL_2299225	Binding affinity to mitoNEET (unknown origin) by SPR method
50019048	1	ChEMBL_2299355	Inhibition of full length C-terminal His/FLAG tagged human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells using RHK-K(Ac)-AMC as substrate incubated for 2 hrs
50019049	1	ChEMBL_2299381	Inhibition of recombinant human Wee1 (214 to end residues) incubated for 1 hr in presence of tracer 178 by fluorescence based assay
50019050	1	ChEMBL_2299471	Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using Dacyl-KTSAVLQSGFRKME-Edans fluorogenic peptide as substrate pre-incubated for 10 mins followed by substrate addition by FRET assay
50019051	1	ChEMBL_2299494	Inhibition of recombinant His-tagged human FGFR4 (781 to 1338 residues) expressed in insect cells incubated for 1 hr by caliper mobility shift assay
50019052	1	ChEMBL_2299517	Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interaction in presence of biotin labeled 16mer ETGE peptide AFFAQLQLDEETGEFL
50019054	1	ChEMBL_2299542	Allosteric inhibition of recombinant human SHP2 using IRS1 peptide and DiFMUP as substrate incubated for 30 mins followed by DiFMUP addition and measured after 30 mins by fluorescence based microplate reader analysis
50019054	2	ChEMBL_2299544	Inhibition of human ERG by fluorescence polarization assay
50019056	1	ChEMBL_2299562	Antagonist activity at human TLR7 expressed in human PBMC cells preincubated for 1 hr followed by GS-986 stimulation measured after 6 hrs by electrochemiluminescence immunoassay
50019056	2	ChEMBL_2299563	Antagonist activity at human TLR8 expressed in human PBMC cells preincubated for 1 hr followed by GS-986 stimulation measured after 6 hrs by electrochemiluminescence immunoassay
50019058	1	ChEMBL_2299564	Inhibition of human N-terminal His6-tagged recombinant full-length PLK1 expressed in baculovirus infected Sf9 cells incubated for 15 mins followed by ATP addition by ADP Glo luminescent assay
50019058	2	ChEMBL_2299565	Inhibition of human full length GST-tagged WEE1 expressed in insect cells incubated for 15 mins followed by ATP addition by ADP Glo luminescent assay
50019058	3	ChEMBL_2299567	Inhibition of WEE1 in human U2OS cells incubated for 1 hr by mesoscale discovery assay
50019059	1	ChEMBL_2299604	Inhibition of porcine PDHc E1-subunit assessed as DCPIP reduction preincubated for 30 mins followed by pyruvate addition using 10 uM ThDP as substrate by microplate reader analysis
50019059	2	ChEMBL_2299608	Inhibition of porcine PDHc E1-subunit assessed as inhibition constant preincubated for 30 mins followed by pyruvate addition using 10 uM ThDP as substrate by microplate reader analysis
50019062	1	ChEMBL_2299642	Inhibition of human ALDH1A1 in presence of NAD+ by LC-MS/MS analysis
50019062	2	ChEMBL_2299643	Inhibition of human ALDH1A3 in presence of NAD+ by LC-MS/MS analysis
50019062	3	ChEMBL_2299644	Inhibition of human recombinant AOX in presence of NAD+ and NADPH
50019063	1	ChEMBL_2299649	Inhibition of PARP1 (unknown origin) assessed as inhibition constant
50019063	2	ChEMBL_2299650	Inhibition of PARP1 (unknown origin)
50019066	1	ChEMBL_2299652	Inhibition of BCL-2 (unknown origin) using FITC-Ahx-GQVGRQLAIIGDDINR-CONH2 as substrate incubated for 4 hrs by fluorescence polarization competition assay
50019069	1	ChEMBL_2299659	Inhibition of SRPK1 (unknown origin) using RS peptide as substrate incubated for 120 mins in the presence 33P-ATP
50019071	1	ChEMBL_2299660	Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta secretion preincubated for 20 hrs followed by nigericin addition and measured after 3 hrs by HTRF assay
50019073	1	ChEMBL_2299661	Inhibition of MGL activity in human HeLa cells assessed as reduction in cleaved [1,3-3H glycerol] level using [glycerol-1,3-3H]-oleoyl glycerol as substrate incubated for 1 hr
50019074	1	ChEMBL_2299669	Inhibition of wild type EGFR (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 25 mins by HTRF assay
50019074	2	ChEMBL_2299670	Inhibition of EGFR L858R mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 15 mins by HTRF assay
50019074	3	ChEMBL_2299671	Inhibition of EGFR L858R/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 20 mins by HTRF assay
50019074	4	ChEMBL_2299672	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate and ATP addition for 10 mins by HTRF assay
50019075	1	ChEMBL_2299692	Inhibition of human recombinant full-length MEK7 using JNK1 as substrate incubated for 30 mins followed by ATP addition measured after 1 hr by ADP Glo luminescent assay
50019075	2	ChEMBL_2299693	Inhibition of human recombinant full-length MEK4 using p38-alpha as substrate incubated for 30 mins followed by ATP addition measured after 1 hr by ADP Glo luminescent assay
50019076	1	ChEMBL_2299725	Agonist activity at human AHR in HEK293 cells assessed as nuclear translocation over cytosol incubated for 45 mins by Hoechst staining based assay
50019077	1	ChEMBL_2299726	Inhibition of human IRAK4 using biotinylated FGLARFSRFAGSSPSQSSMVARTQTVRGT peptide as substrate incubated for 1 hr in presence of ATP by ELISA assay
50019077	2	ChEMBL_2299738	Inhibition of human IRAK1 using biotinylated FGLARFSRFAGSSPSQSSMVARTQTVRGT peptide as substrate incubated for 1 hr in presence of ATP by ELISA assay
50019078	1	ChEMBL_2299820	Inhibition of human Delta 5 desaturase (unknown origin) expressed in human HepG2 cells
50019078	2	ChEMBL_2299830	Inhibition of ARL2 (unknown origin)
50019078	3	ChEMBL_2299834	Inhibition of human CA1
50019078	4	ChEMBL_2299835	Inhibition of human CA2
50019078	5	ChEMBL_2299836	Inhibition of human AchE
50019078	6	ChEMBL_2299837	Inhibition of human alpha glucosidase
50019082	1	ChEMBL_2299841	Displacement of [11C]PBB3 in human brain tau incubated for 30 mins by radioligand binding assay
50019084	1	ChEMBL_2299843	Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay
50019085	1	ChEMBL_2299849	Inhibition of human matriptase using Mes-D-Pro-Arg-AMC.2TFA as substrate incubated for 10 mins by fluorescence based assay
50019085	2	ChEMBL_2299850	Inhibition of recombinant hexahistidine tagged human MT-SP1 (596 to 855 residues) expressed in Escherichia coli BL21 gold (DE3) cells using Boc-Leu-Arg-Arg-AMC as substrate measured every 30 secs for 10 mins by fluorescence based assay
50019085	3	ChEMBL_2299851	Binding affinity to recombinant hexahistidine tagged human MT-SP1 (596 to 855 residues) expressed in Escherichia coli BL21 gold (DE3) cells using Boc-Leu-Arg-Arg-AMC as substrate by ITC analysis
50019086	1	ChEMBL_2299885	Inhibition of PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of [33P]gamma-ATP and ATP by fluorescence based analysis
50019086	2	ChEMBL_2299886	Inhibition of PI5P4Kbeta (unknown origin) incubated for 1 hr in presence of [33P]gamma-ATP and ATP by fluorescence based analysis
50019086	3	ChEMBL_2299887	Inhibition of human full length PI5P4Kbeta expressed in Escherichia coli BL21(DE3) pre-incubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50019086	4	ChEMBL_2299888	Inhibition of human full length PI5P4Kalpha expressed in Escherichia coli BL21(DE3) pre-incubated for 15 mins followed by ATP addition measured after 1 hr by TR-FRET assay
50019086	5	ChEMBL_2299889	Inhibition of PI5P4Kalpha (unknown origin) incubated for 1 hr in presence of ATP by ADP-Glo reagent based assay
50019086	6	ChEMBL_2299890	Inhibition of PI5P4Kalpha (unknown origin)
50019086	7	ChEMBL_2299891	Inhibition of PI5P4Kalpha in human HeLa cells pre-incubated for 1 hr followed by ATP addition measured after 90 mins by ADP-Glo kinase assay
50019087	1	ChEMBL_2299907	Inhibition of MBP tagged recombinant SARS-CoV-2 main protease using DABCYL-KTSAVLeu(13C6,15N)-Q as substrate incubated for 2 to 3 hrs by mass spectrometric analysis
50019087	2	ChEMBL_2299908	Inhibition of SARS-CoV-2 RdRP using ATP substrate preincubated with compound for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen microplate reader analysis
50019087	3	ChEMBL_2299911	Inhibition of recombinant SARS-CoV-2 main protease expressed in Escherichia coli BL21 using Dabcyl-EDANS and Boc-Abu-Tle-Leu-Gln-AMC as substrate
50019087	4	ChEMBL_2299912	Inhibition of recombinant SARS-CoV-2 main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans-NH2) as substrate preincubated for 15 mins followed by substrate addition by FRET analysis
50019088	1	ChEMBL_2300004	Inhibition of Mycobacterium tuberculosis CitA expressed in Escherichia coli cell by UV spectrophotometric based analysis
50019090	1	ChEMBL_2300008	Inhibition of P38alphaMAPK (unknown origin)
50019090	2	ChEMBL_2300015	Inhibition of recombinant human GSTA1-1
50019092	1	ChEMBL_2300218	Agonist activity at GST fused PPARgamma (unknown origin) expressed in Escherichia coli DH5alpha in presence of [3H]BRL49653 incubated for 2 hrs by liquid scintillation counter analysis
50019092	2	ChEMBL_2300221	Agonist activity at yeast GAL4-fused human PPARgamma expressed in human HepG2 cells co-expressing pFR-Luc assessed as luciferase activity incubated for 48 hrs by Luciferase reporter gene Assay
50019094	1	ChEMBL_2300253	Binding affinity to CXCR4 (unknown origin) assessed as inhibition constant
50019094	2	ChEMBL_2300254	Inhibition of CXCR4 (unknown origin)
50019094	3	ChEMBL_2300260	Inhibition of wild type CXCR4 (unknown origin)
50019094	4	ChEMBL_2300262	Inhibition of human CCR5 in PBMC cell
50019094	5	ChEMBL_2300263	Inhibition of human CCR5
50019094	6	ChEMBL_2300265	Inhibition of wild type CCR5 (unknown origin)
50019094	7	ChEMBL_2300268	Inhibition of human recombinant CXCR3
50019094	8	ChEMBL_2300270	Inhibition of human recombinant CCR1
50019094	9	ChEMBL_2300274	Inhibition of human recombinant CXCR4 expressed in THP-1 cells
50019094	10	ChEMBL_2300277	Antagonist activity at human CCR5 receptor
50019095	1	ChEMBL_2300278	Inhibition of Alpha-glucosidase (unknown origin)
50019095	2	ChEMBL_2300279	Inhibition of Influenza A virus H5N1 neuraminidase
50019095	3	ChEMBL_2300306	Inhibition of COX-1 (unknown origin)
50019095	4	ChEMBL_2300335	Inhibition of human Alpha-glucosidase
50019096	1	ChEMBL_2300339	Inhibition of human N-terminal 6His-tagged IDH1 R132H mutant expressed in Escherichia coli Rosetta2 (DE3) measured after 90 mins in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50019096	2	ChEMBL_2300364	Inhibition of IDH1 R132H mutant expressed in human MCF-10A cells assessed as effect on intracellular 2-HG level incubated for 5 days by Cell Titer Glo assay
50019096	3	ChEMBL_2300365	Inhibition of wild type human IDH1 measured after 2 hrs in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50019096	4	ChEMBL_2300366	Inhibition of IDH1 R132H mutant expressed in human HCT-116 cells assessed as effect on intracellular 2-HG level incubated for 48 hrs by LC/MS/MS analysis
50019096	5	ChEMBL_2300367	Inhibition of human N-terminal 6His-tagged IDH1 R132H mutant expressed in Escherichia coli Rosetta2 (DE3) assessed as effect on intracellular 2-HG level incubated for 60 mins in presence of alpha-ketoglutarate and NADPH by LC/MS/MS analysis
50019096	6	ChEMBL_2300369	Inhibition of human wild type IDH1/IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50019096	7	ChEMBL_2300370	Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) measured after 45 mins in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50019097	1	ChEMBL_2300376	Binding affinity to N-terminal his6-tagged human recombinant Mcl-1 expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50019098	1	ChEMBL_2300407	Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50019098	2	ChEMBL_2300408	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50019098	3	ChEMBL_2300409	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysis
50019098	4	ChEMBL_2300410	Activation of human PXR expressed in human DPX2 co-expressing luciferase reporter gene incubated for 24 hrs by luciferase assay
50019099	1	ChEMBL_2300431	Binding affinity to full length Influenza A virus PB2 cap-binding domain assessed as dissociation constant incubated for 60 mins by fluorescence polarization assay
50019100	1	ChEMBL_2300456	Binding affinity to C-terminal amidated influenza A virus A/Udorn/72 (H3N2) M2 transmembrane domain (22 to 46 residues) in DPC micelles at pH 8 assessed as dissociation constant by ITC analysis
50019101	1	ChEMBL_2300464	Agonist activity at human PPARgamma transfected in HEK293 cells assessed increase in luciferase activity incubated for 24 hrs
50019101	2	ChEMBL_2300465	Agonist activity at GAL4-fused human PPARgamma expressed in HepG2 cells
50019101	3	ChEMBL_2300485	Inhibition of HIV-1 reverse transcriptase
50019101	4	ChEMBL_2300505	Agonist activity at human adrenergic receptor expressed in CHO cells
50019101	5	ChEMBL_2300506	Antagonist activity at 15-PGDH (unknown origin)
50019102	1	ChEMBL_2300654	Activation of recombinant human glucokinase assessed as increase in maximal activation by measuring accumulation of NADH in presence of S0.5 of glucose and NAD by plate reader analysis
50019103	1	ChEMBL_2300673	Inhibition of CYP1A2 (unknown origin)
50019103	2	ChEMBL_2300680	Inhibition of CYP2D6 (unknown origin)
50019103	3	ChEMBL_2300681	Inhibition of CYP3A4 (unknown origin)
50019103	4	ChEMBL_2300682	Inhibition of CYP2C9 (unknown origin)
50019103	5	ChEMBL_2300683	Inhibition of CYP2C19 (unknown origin)
50019104	1	ChEMBL_2300735	Binding affinity to HSP90 (unknown origin)
50019104	2	ChEMBL_2300739	Inhibition of p38 MAP kinase (unknown origin)
50019104	3	ChEMBL_2300747	Agonist activity at rat M1 muscarinic receptor
50019104	4	ChEMBL_2300748	Agonist activity at rat M2 muscarinic receptor
50019105	1	ChEMBL_2300750	Displacement of biotinylated small-molecule ligand from recombinant His-tagged BRD9 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	2	ChEMBL_2300751	Displacement of biotinylated small-molecule ligand from recombinant His-tagged BRD4 bromodomain 1 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	3	ChEMBL_2300753	Displacement of biotinylated small-molecule ligand from recombinant His-tagged BRD4 bromodomain 2 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	4	ChEMBL_2300755	Displacement of biotinylated small-molecule ligand from recombinant His-tagged CECR2 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	5	ChEMBL_2300757	Displacement of biotinylated small-molecule ligand from recombinant His-tagged TAF1 bromodomain 2 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	6	ChEMBL_2300758	Binding affinity to ZsGreen fused-BRD9 (M1 to T597 residues) (unknown origin) expressed in human U2OS-C433 cells assessed as induction of protein bromodomain localization from chromatin by measuring formation of large nuclear puncta by fluorescence based assay
50019105	7	ChEMBL_2300990	Cytotoxicity against human NB1 cells measured after 8 days
50019105	8	ChEMBL_2301492	Binding affinity to human partial length ATAD2A (Q981 to R1108 residues) expressed in bacterial expression system by BROMOscan assay
50019105	9	ChEMBL_2301493	Binding affinity to human partial length ATAD2B (Q955 to R1082 residues) expressed in bacterial expression system by BROMOscan assay
50019105	10	ChEMBL_2301494	Binding affinity to human partial length BAZ2A (M1792 to L1905 residues) expressed in bacterial expression system by BROMOscan assay
50019105	11	ChEMBL_2301495	Binding affinity to human partial length BAZ2B (S2054 to S2168 residues) expressed in bacterial expression system by BROMOscan assay
50019105	12	ChEMBL_2301496	Binding affinity to human partial length BRD1 (E556 to A688 residues) expressed in bacterial expression system by BROMOscan assay
50019105	13	ChEMBL_2301497	Binding affinity to human partial length BRD2 bromodomain 1 long isoform (K71 to N194 residues) expressed in bacterial expression system by BROMOscan assay
50019105	14	ChEMBL_2301498	Binding affinity to human partial length BRD2 bromodomain 1/2 isoform 1 (K71 to D455 residues) by BROMOscan assay
50019105	15	ChEMBL_2301499	Binding affinity to human partial length BRD2 bromodomain 2 isoform 1 (E348 to D455 residues) expressed in bacterial expression system by BROMOscan assay
50019105	16	ChEMBL_2301500	Binding affinity to human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in bacterial expression system by BROMOscan assay
50019105	17	ChEMBL_2301501	Binding affinity to BRD3 bromodomain 1/2 (unknown origin) by BROMOscan assay
50019105	18	ChEMBL_2301502	Binding affinity to human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in bacterial expression system by BROMOscan assay
50019105	19	ChEMBL_2301503	Binding affinity to human partial length BRD4 bromodomain 1 long isoform (N44 to E168 residues) expressed in bacterial expression system by BROMOscan assay
50019105	20	ChEMBL_2301504	Binding affinity to BRD4 bromodomain 1/2 long isoform (unknown origin) by BROMOscan assay
50019105	21	ChEMBL_2301505	Binding affinity to human partial length BRD4 bromodomain 2 long isoform (K333 to E460 residues) expressed in bacterial expression system by BROMOscan assay
50019105	22	ChEMBL_2301506	Binding affinity to full length BRD4 short isoform (unknown origin) by BROMOscan assay
50019105	23	ChEMBL_2301507	Binding affinity to human partial length BRD7 (L125 to R254 residues) expressed in mammalian expression system by BROMOscan assay
50019105	24	ChEMBL_2301508	Binding affinity to BRD8 bromodomain 1 (unknown origin) by BROMOscan assay
50019105	25	ChEMBL_2301509	Binding affinity to BRD8 bromodomain 2 (unknown origin) by BROMOscan assay
50019105	26	ChEMBL_2301510	Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed in bacterial expression system by BROMOscan assay
50019105	27	ChEMBL_2301511	Binding affinity to human partial length BRDT bromodomain 1 (N21 to E137 residues) expressed in bacterial expression system by BROMOscan assay
50019105	28	ChEMBL_2301512	Binding affinity to BRDT bromodomain 1/2 (unknown origin) by BROMOscan assay
50019105	29	ChEMBL_2301513	Binding affinity to human partial length BRDT bromodomain 2 (K250 to E382 residues) expressed in bacterial expression system by BROMOscan assay
50019105	30	ChEMBL_2301514	Binding affinity to human partial length BRPF1 (E627 to G740 residues) expressed in bacterial expression system by BROMOscan assay
50019105	31	ChEMBL_2301515	Binding affinity to human partial length BRPF3 (E588 to G701 residues) expressed in bacterial expression system by BROMOscan assay
50019105	32	ChEMBL_2301516	Binding affinity to human partial length CECR2 (P423 to D543 residues) expressed in bacterial expression system by BROMOscan assay
50019105	33	ChEMBL_2301517	Binding affinity to human partial length CREBBP (R1081 to G1197 residues) expressed in bacterial expression system by BROMOscan assay
50019105	34	ChEMBL_2301518	Binding affinity to human partial length EP300 (A1040 to G1161 residues) expressed in bacterial expression system by BROMOscan assay
50019105	35	ChEMBL_2301519	Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay
50019105	36	ChEMBL_2301520	Binding affinity to human partial length GCN5L2 (E726 to K837 residues) expressed in bacterial expression system by BROMOscan assay
50019105	37	ChEMBL_2301521	Binding affinity to human partial length PBRM1 bromodomain 1 (S178 to E291 residues) expressed in bacterial expression system by BROMOscan assay
50019105	38	ChEMBL_2301522	Binding affinity to human partial length PBRM1 bromodomain 5 (S645 to D766 residues) expressed in bacterial expression system by BROMOscan assay
50019105	39	ChEMBL_2301523	Binding affinity to human partial length PCAF (G715 to D831 residues) expressed in bacterial expression system by BROMOscan assay
50019105	40	ChEMBL_2301524	Binding affinity to human partial length SMARCA2 (S1377 to Q1486 residues) expressed in bacterial expression system by BROMOscan assay
50019105	41	ChEMBL_2301525	Binding affinity to human partial length SMARCA4 (A1448 to S1575 residues) expressed in bacterial expression system by BROMOscan assay
50019105	42	ChEMBL_2301526	Binding affinity to human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay
50019105	43	ChEMBL_2301527	Binding affinity to human partial length TAF1L bromodomain 2 (Q1523 to D1654 residues) expressed in bacterial expression system by BROMOscan assay
50019105	44	ChEMBL_2301528	Binding affinity to human partial length TRIM24 (P790 to P977 residues) expressed in bacterial expression system by BROMOscan assay
50019105	45	ChEMBL_2301529	Binding affinity to human partial length TRIM33 (D882 to A1087 residues) expressed in bacterial expression system by BROMOscan assay
50019105	46	ChEMBL_2301530	Binding affinity to human partial length WDR9 bromodomain 2 (A1310 to E1430 residues) expressed in bacterial expression system by BROMOscan assay
50019105	47	ChEMBL_2301901	Inhibition of human GABA-B receptor at 10 uM relative to control
50019105	48	ChEMBL_2301902	Displacement of biotinylated small-molecule ligand from recombinant His-tagged CBP (unknown origin) measured after 10 mins by TR-FRET assay
50019105	49	ChEMBL_2301903	Displacement of biotinylated small-molecule ligand from recombinant His-tagged BRPF1 (unknown origin) measured after 10 mins by TR-FRET assay
50019105	50	ChEMBL_2301904	Displacement of biotinylated small-molecule ligand from recombinant His-tagged TAF1 bromodomain 1 (unknown origin) measured after 10 mins by TR-FRET assay
50019106	1	ChEMBL_2301974	Inhibition of human FABP4 assessed as inhibition constant by fluorescent displacement assay
50019106	2	ChEMBL_2301975	Inhibition of FABP4 (unknown origin)
50019106	3	ChEMBL_2301976	Inhibition of FABP3 (unknown origin) by fluorescence polarization assay
50019106	4	ChEMBL_2301977	Inhibition of FABP4 (unknown origin) by fluorescence polarization assay
50019106	5	ChEMBL_2301978	Inhibition of FABP5 (unknown origin) by fluorescence polarization assay
50019106	6	ChEMBL_2301979	Inhibition of recombinant human FABP4
50019106	7	ChEMBL_2301980	Inhibition of recombinant human FABP3
50019106	8	ChEMBL_2301981	Inhibition of human FABP4
50019106	9	ChEMBL_2301982	Inhibition of human FABP5
50019106	10	ChEMBL_2301983	Inhibition of FABP5 (unknown origin)
50019106	11	ChEMBL_2301984	Binding affinity to FABP4 (unknown origin) assessed as inhibition constant
50019106	12	ChEMBL_2301985	Binding affinity to human FABP3 expressed in Escherichia coli assessed as degree of fluorescent shift by temperature-dependent fluorescence thermal shift assay
50019106	13	ChEMBL_2301986	Binding affinity to human FABP4 expressed in Escherichia coli assessed as degree of fluorescent shift by temperature-dependent fluorescence thermal shift assay
50019106	14	ChEMBL_2301987	Displacement of BODIPY 500/510 C4 from human FABP3 expressed in Escherichia coli incubated for 30 mins by FP assay
50019106	15	ChEMBL_2301988	Displacement of BODIPY 500/510 C4 from human FABP4 expressed in Escherichia coli incubated for 30 mins by FP assay
50019108	1	ChEMBL_2301998	Inhibition of CDK2/cyclin E (unknown origin)
50019108	2	ChEMBL_2301999	Inhibition of GLS in human PC-3 cells using glutamine as substrate by amplex red staining-based horseradish peroxidase/glutamate oxidase coupled assay
50019108	3	ChEMBL_2302000	Inhibition of BMI1 (unknown origin) by ELISA assay
50019108	4	ChEMBL_2302009	Inhibition of human SYK using 5-Fluo-Ahx-GAPDYENLQELNKK-Amid as substrate in presence of ATP by microfluidic mobility shift assay
50019108	5	ChEMBL_2302013	Inhibition of SYK in human Ramos cells assessed as reduction in anti IgM-induced phosphorylation of BLNK by flow cytometry assay
50019108	6	ChEMBL_2302054	Binding affinity to Abl (unknown origin) assessed as inhibition constant
50019108	7	ChEMBL_2302055	Binding affinity to Abl-T315I mutant (unknown origin) assessed as inhibition constant
50019108	8	ChEMBL_2302058	Inhibition of EGFR (unknown origin)
50019108	9	ChEMBL_2302059	Inhibition of VEGFR-2 (unknown origin)
50019108	10	ChEMBL_2302061	Inhibition of human GST-tagged IRAK4 incubated for 30 mins in presence of ATP by fluorescent polarization assay
50019108	11	ChEMBL_2302062	Inhibition of CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells
50019108	12	ChEMBL_2302072	Inhibition of FGFR (unknown origin)
50019108	13	ChEMBL_2302073	Inhibition of beta catenin/Tcf4 (unknown origin) protein protein interaction
50019109	1	ChEMBL_2302110	Inhibition of FKBP12 (unknown origin)
50019109	2	ChEMBL_2302128	Inhibition of HIV-1 protease by FRET-based assay
50019110	1	ChEMBL_2302129	Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK1 expressed in Escherichia coli BL21(DE3) assessed as dissociation constant using PLP as substrate incubated for 5 mins by fluorescence analysis
50019110	2	ChEMBL_2302130	Inhibition of Mycobacterium tuberculosis CysM
50019110	3	ChEMBL_2302131	Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK2 expressed in Escherichia coli BL21(DE3) assessed as inhibition constant using O-acetyl-L-serine as substrate by Lineweaver-Burk plot analysis
50019110	4	ChEMBL_2302132	Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK2 expressed in Escherichia coli BL21(DE3) assessed as amount of S-sulfocysteine produced using O-acetyl-L-serine as substrate incubated for 30 mins by acid-ninhydrin based spectrophotometric assay
50019110	5	ChEMBL_2302133	Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK1 expressed in Escherichia coli BL21(DE3) assessed as amount of cysteine produced using O-acetyl-L-serine as substrate incubated for 12 mins by acid-ninhydrin based spectrophotometric assay
50019110	6	ChEMBL_2302134	Inhibition of hexahistidine-tagged recombinant Mycobacterium tuberculosis CysK2 expressed in Escherichia coli BL21(DE3) assessed as dissociation constant using PLP as substrate incubated for 5 mins by fluorescence analysis
50019112	1	ChEMBL_2302143	Inhibition of Trypanosoma cruzi TryR expressed in escherichia coli in presence of NADPH
50019112	2	ChEMBL_2302156	Inhibition of Trypanosoma brucei TryR assessed as inhibition constant
50019112	3	ChEMBL_2302173	Inhibition of Trypanosoma cruzi TryR expressed in escherichia coli SG5
50019112	4	ChEMBL_2302174	Inhibition of Crithidia fasciculata TryR overexpressed in escherichia coli assessed as inhibition constant
50019112	5	ChEMBL_2302201	Inhibition of Trypanosoma cruzi TryR
50019112	6	ChEMBL_2302202	Inhibition of Trypanosoma cruzi TryR assessed as inhibition constant in presence of NADPH
50019112	7	ChEMBL_2302231	Inhibition of human glutathione reductase
50019112	8	ChEMBL_2302232	Inhibition of Trypanosoma cruzi TryR assessed as inhibition constant
50019112	9	ChEMBL_2302234	Inhibition of Trypanosoma cruzi TryR measured after 15 mins in presence of NADPH
50019112	10	ChEMBL_2302235	Inhibition of Trypanosoma cruzi TryR assessed as inhibition constant by TR assay
50019112	11	ChEMBL_2302245	Inhibition of Crithidia fasciculata His tagged TryS in presence of ATP by LDH/PK assay
50019112	12	ChEMBL_2302260	Inhibition of Trypanosoma brucei TryR
50019113	1	ChEMBL_2302291	Inhibition of telomerase activity in human CNE-2 cells
50019114	1	ChEMBL_2302310	Antagonist activity at human histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of imetit-stimulation ERK1/2 phosphorylation by ELISA analysis
50019114	2	ChEMBL_2302311	Inverse agonist activity at recombinant human histamine H3 receptor expressed in CHO-K1 cells preincubated for 10 mins followed by [35S]GTPgammaS addition and measured after 60 mins by TopCount NXT based scintillation analysis
50019114	3	ChEMBL_2302321	Displacement of N-alpha-[methyl-3H]-methylhistamine dihydrochloride from recombinant human histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 30 mins by liquid scintillation analysis
50019114	4	ChEMBL_2302322	Displacement of N-alpha-[methyl-3H]-methylhistamine dihydrochloride from Sprague-Dawley rat brain membrane histamine H3 receptor assessed as inhibition constant incubated for 30 mins by liquid scintillation counting analysis
50019116	1	ChEMBL_2302327	Inhibition of MDM2 (unknown origin)
50019116	2	ChEMBL_2302338	Partial agonist activity at human neprilysin expressed in CHP-212 cells
50019117	1	ChEMBL_2302349	Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in baculovirus expression system by ELISA
50019117	2	ChEMBL_2302350	Inhibition of EGFR T790M mutant (unknown origin) expressed in baculovirus expression system by ELISA
50019117	3	ChEMBL_2302351	Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expression system by ELISA
50019118	1	ChEMBL_2302381	Inhibition of Arabidopsis thaliana expressed-sequence-tagged PDF2 using for-Met-Ala-Ser as substrate preincubated for 10 mins followed by substrate addition in presence of NAD+ and measured after 10 mins by absorbance analysis
50019118	2	ChEMBL_2302382	Inhibition of Bacillus anthracis anthrax lethal factor using MAPKKide as substrate incubated for 30 mins by fluorescence plate reader analysis
50019118	3	ChEMBL_2302385	Agonist activity against PPAR-alpha (unknown origin)
50019118	4	ChEMBL_2302386	Inhibition of full-length His-tagged human PLK1 expressed in baculovirus using biotinylated casein as substrate in presence of [gamma-33P]-ATP by scintillation counter analysis
50019118	5	ChEMBL_2302393	Inhibition of recombinant human GST-tagged DYRK1A expressed in Escherichia coli using Woodtide as substrate in presence of [gamma-33P] ATP incubated for 30 mins by scintillation counter analysis
50019118	6	ChEMBL_2302394	Inhibition of recombinant human COX-2 using [14C]arachidonic acid as substrate incubated for 1 mins by radiometric HPLC analysis
50019118	7	ChEMBL_2302396	Inhibition of Hepatitis C virus NS5B polymerase
50019118	8	ChEMBL_2302397	Agonist activity against human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation level
50019120	1	ChEMBL_2302414	Inhibition of MRP1 (unknown origin)
50019120	2	ChEMBL_2302415	Inhibition of P-gp (unknown origin)
50019120	3	ChEMBL_2302416	Inhibition of MRP1 (unknown origin) measured for 2 hrs
50019120	4	ChEMBL_2302417	Inhibition of human MRP1 expressed in human MDR cells measured for 2 hrs
50019120	5	ChEMBL_2302418	Inhibition of P-gp (unknown origin) expressed in human A2780 ADR cells by calcein AM accumulation assay
50019120	6	ChEMBL_2302419	Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 30 mins by Hoechst 33342 dye based fluorescence assay
50019120	7	ChEMBL_2302420	Inhibition of P-gp (unknown origin) expressed in dog MDCK-MDR1cells by calcein AM accumulation assay
50019120	8	ChEMBL_2302421	Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 60 mins by Hoechst 33342 dye based fluorescence assay
50019120	9	ChEMBL_2302422	Inhibition of MRP1 (unknown origin) by calcein AM assay
50019120	10	ChEMBL_2302423	Inhibition of BCRP (unknown origin) by Hoechst 33342 staining based assay
50019120	11	ChEMBL_2302424	Inhibition of BCRP (unknown origin)
50019120	12	ChEMBL_2302425	Inhibition of P-gp (unknown origin) incubated for 30 mins by calcein AM analysis
50019120	13	ChEMBL_2302426	Inhibition of MRP1 in human NCI-H69AR cells incubated for 180 mins in presence of daunorubicin by flow cytometry analysis
50019120	14	ChEMBL_2302427	Inhibition of BCRP (unknown origin) expressed in dog MDCK-II cells using pheophorbide A as substrate preincubated for 20 mins followed by substrate addition and measured after 120 mins by flow cytometry analysis
50019121	1	ChEMBL_2302542	Inhibition of COX (unknown origin)
50019121	2	ChEMBL_2302544	Inhibition of DNA polymerase beta (unknown origin)
50019121	3	ChEMBL_2302559	Inhibition of thrombin (unknown origin)
50019122	1	ChEMBL_2302573	Inhibition of EGFR (unknown origin) using (Glu, Tyr) 4:1 as substrate incubated for [gamma-32P]-ATP incubated for 60 mins by scintillation counter analysis
50019122	2	ChEMBL_2302574	Inhibition of PKC (unknown origin) using acetylated myelin basic protein (4 to 14 residues) as substrate incubated for [gamma-32P]-ATP incubated for 5 mins by scintillation counter analysis
50019122	3	ChEMBL_2302575	Inhibition of PKA (unknown origin) using Kemptide as substrate incubated for [gamma-32P]-ATP incubated for 5 mins by scintillation counter analysis
50019122	4	ChEMBL_2302576	Inhibition of c-Met (unknown origin)
50019122	5	ChEMBL_2302578	Inhibition of alpha-glucosidase (unknown origin)
50019122	6	ChEMBL_2302579	Inhibition of Baker's yeast alpha-glucosidase using pNPG as substrate assessed as release of p-nitrophenol preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader analysis
50019122	7	ChEMBL_2302581	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate incubated for 30 mins by microplate reader analysis
50019122	8	ChEMBL_2302582	Inhibition of DNA polymerase beta (unknown origin)
50019122	9	ChEMBL_2302584	Inhibition of c-Met (unknown origin) using poly (Glu,Tyr) at 4:1 ratio as substrate incubated for 60 mins by ELISA
50019124	1	ChEMBL_2302585	Inhibition of human liver FBPase by spectrophotometric method
50019124	2	ChEMBL_2302587	Inhibition of human liver FBPase
50019124	3	ChEMBL_2302588	Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry method
50019124	4	ChEMBL_2302589	Inhibition of human liver FBPase expressed in Escherichia coli
50019124	5	ChEMBL_2302591	Inhibition of recombinant C-terminal His-tagged human liver FBPase expressed in Escherichia coli BL21 (DE3)
50019124	6	ChEMBL_2302592	Inhibition of human liver FBPase expressed in Escherichia coli BL21 (DE3) measured after 48 hrs by spectrophotometry analysis
50019125	1	ChEMBL_2302615	Inhibition of Fatty acid synthase in chicken liver using [3H]-acetyl CoA as substrate preincubated for 30 mins followed by substrate addition and measured after 10 mins in presence of NADPH by scintillation counting analysis
50019125	2	ChEMBL_2302618	Inhibition of AKT1 (unknown origin) in presence of ATP by ELISA
50019125	3	ChEMBL_2302684	Inhibition of Heparanase (unknown origin) using heparan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by spectrophotometric assay
50019125	4	ChEMBL_2302768	Inhibition of SERCA1a in rabbit Sarcoplasmic reticulum assessed as inhibition constant in presence of [gamma-32P]ATP and calcium ionophore A23187 by by coupled enzyme assay
50019125	5	ChEMBL_2302774	Inhibition of GSG in mouse MEB5 cells
50019130	1	ChEMBL_2302849	Inhibition of c-Met (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50019130	2	ChEMBL_2302852	Inhibition of recombinant c-Met (unknown origin) using peptide as substrate in presence of ATP by TR-FRET assay
50019130	3	ChEMBL_2302854	Inhibition of recombinant c-Met (unknown origin) using poly Tyrosine peptide as substrate in presence of ATP incubated for 90 mins by Z-LYTE assay
50019130	4	ChEMBL_2302857	Inhibition of wild type ALK (unknown origin) using biotin-TK peptide as substrate in presence of ATP incubated for 90 mins by HTRF assay
50019130	5	ChEMBL_2302858	Inhibition of ALK C1156Y mutant (unknown origin) using biotin-TK peptide as substrate in presence of ATP incubated for 90 mins by HTRF assay
50019130	6	ChEMBL_2302859	Inhibition of ALK L1196M mutant (unknown origin) using biotin-TK peptide as substrate in presence of ATP incubated for 90 mins by HTRF assay
50019130	7	ChEMBL_2302860	Inhibition of c-Met (unknown origin)
50019130	8	ChEMBL_2302861	Inhibition of c-Met (unknown origin) kinase activity using biotinylated poly-tyrosine as substrate in presence of ATP incubated for 1 hr by AlphaQuest analysis
50019130	9	ChEMBL_2302865	Inhibition of c-Met (unknown origin) kinase activity using peptide as substrate in presence of ATP incubated for 1 hrs by ELISA
50019130	10	ChEMBL_2302867	Inhibition of VEGFR-2 (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50019130	11	ChEMBL_2302870	Inhibition of c-Met (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 30 mins by HTRF assay
50019130	12	ChEMBL_2302871	Inhibition of c-Met (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP by TR-FRET assay
50019130	13	ChEMBL_2302873	Inhibition of human c-Met using poly tyrosine as substrate preincubated for 5 mins followed by substrate addition in presence of ATP and measured after 30 mins by colorimetric ELISA assay
50019130	14	ChEMBL_2302883	Inhibition of c-Met (unknown origin) kinase activity using peptide as substrate in presence of 33P-ATP incubated for 20 to 30 mins by scintillation counter analysis
50019130	15	ChEMBL_2302892	Inhibition of His6-tagged recombinant human c-Met (974 to end residues) using 5FAM-KKK-SPGEYVNIGFG-NH2 as substrate in presence of ATP incubated for 60 mins by AiphaQuest assay
50019130	16	ChEMBL_2302893	Inhibition of c-Met (unknown origin) phosphorylation using Tyr2 peptide as substrate in presence of ATP incubated for 1 hrs by Z-LYTE assay
50019131	1	ChEMBL_2302902	Inhibition of GluN1/GluN2B NMDA receptor (unknown origin) expressed in HEK293 cells
50019131	2	ChEMBL_2302915	Positive allosteric modulation of human GABAA alpha1beta2gamma2 receptor expressed in Xenopus laevis oocytes by two-microelectrode voltage-clamp assay
50019131	3	ChEMBL_2302916	Positive allosteric modulation of human GABAA alpha2beta1gamma2 receptor expressed in Xenopus laevis oocytes by two-microelectrode voltage-clamp assay
50019132	1	ChEMBL_2302934	Inhibition of PKCB (unknown origin)
50019132	2	ChEMBL_2302944	Inhibition of Thymidine phosphorylase (unknown origin)
50019132	3	ChEMBL_2302948	Inhibition of human recombinant COX-2 by colorimetric assay
50019132	4	ChEMBL_2302951	Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by absorbance based analysis
50019132	5	ChEMBL_2302952	Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate
50019133	1	ChEMBL_2303103	Inhibition of human recombinant COX-II measured after 50 mins
50019133	2	ChEMBL_2303104	Inhibition of human recombinant COX-I measured after 50 mins
50019133	3	ChEMBL_2303154	Inhibition of human TS
50019133	4	ChEMBL_2303158	Binding affinity to AT2 in rat brain
50019133	5	ChEMBL_2303161	Inhibition of rat adrenal cortex angiotensin II
50019133	6	ChEMBL_2303164	Inhibition of angiotensin II (unknown origin)
50019134	1	ChEMBL_2303192	Displacement of [3H]-diprenorphine from KOR receptor (unknown origin) assessed as inhibition constant in presence of D-Ala-N-MePhe-Gly-ol-enkephalin and D-Ala-DLeu-enkephalin
50019134	2	ChEMBL_2303193	Displacement of [3H]DTG from sigma 2 receptor (unknown origin) assessed as inhibition constant incubated for 120 mins in presence of (+)-SKF10047 by radioligand binding assay
50019134	3	ChEMBL_2303194	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant measured for 150 mins in presence of haloperidol
50019134	4	ChEMBL_2303195	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant measured after 120 mins by scintillation counting method
50019134	5	ChEMBL_2303196	Displacement of [3H]-DAMGO from human MOR receptor assessed as inhibition constant by cheng-prusoff equation assay
50019134	6	ChEMBL_2303198	Displacement of [3H]DTG from sigma 2 receptor (unknown origin) assessed as inhibition constant
50019134	7	ChEMBL_2303200	Displacement of [3H]-(+)-pentazocine from sigma1 receptor (unknown origin) assessed as inhibition constant
50019134	8	ChEMBL_2303201	Displacement of [3H]-Diprenorphine from MOR receptor (unknown origin) assessed as inhibition constant
50019134	9	ChEMBL_2303202	Displacement of [3H]-Diprenorphine from DOR receptor (unknown origin) assessed as inhibition constant
50019134	10	ChEMBL_2303203	Displacement of [3H]-U69593 from KOR receptor (unknown origin) assessed as inhibition constant
50019134	11	ChEMBL_2303204	Displacement of [ 3H]-naloxone from rat brain membrane mu opioid receptor assessed as inhibition constant by radioligand binding assay
50019134	12	ChEMBL_2303205	Displacement of [3H]DTG from sigma 2 receptor (unknown origin) assessed as inhibition constant in presence of (+)-SKF10047 by radioligand binding assay
50019134	13	ChEMBL_2303206	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant measured for 150 mins
50019134	14	ChEMBL_2303207	Displacement of [3H]DTG from sigma 2 receptor (unknown origin) assessed as inhibition constant in presence of haloperidol measured for 120 mins by scintillation counting analysis
50019134	15	ChEMBL_2303209	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant
50019134	16	ChEMBL_2303210	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes assessed as inhibition constant presence of dextrallorphan
50019134	17	ChEMBL_2303212	Displacement of [3H]DTG from sigma 2 receptor in rat liver membranes assessed as inhibition constant presence of haloperidol by scintillation counting analysis
50019134	18	ChEMBL_2303215	Inhibition of sigma 1 receptor (unknown origin)
50019134	19	ChEMBL_2303216	Inhibition of sigma 2 receptor (unknown origin)
50019134	20	ChEMBL_2303218	Inhibition of human GGT1
50019134	21	ChEMBL_2303221	Antagonist activity at NMDA receptor (unknown origin) assessed as inhibition constant
50019137	1	ChEMBL_2303244	Inhibition of human GAL4-fused RORgamma LBD transfected in HEK293T cell measured after 24 hrs by luciferase reporter assay
50019137	2	ChEMBL_2303245	Inhibition of human GAL4-fused RORalpha LBD transfected in HEK293T cell measured after 24 hrs by luciferase reporter assay
50019137	3	ChEMBL_2303246	Inhibition of human GAL4-fused RORgamma transfected in HEK293 cells co-transfected with G6Pase by luciferase reporter assay
50019137	4	ChEMBL_2303247	Inhibition of human RORgamma by scintillation proximity assay
50019137	5	ChEMBL_2303248	Inhibition of human RORgamma by TR-FRET assay
50019137	6	ChEMBL_2303259	Inhibition of transactivation of Gal4-tagged RORgamma (unknown origin) transfected in human HG5LN cells incubated for 18 hrs by luciferase reporter gene assay
50019137	7	ChEMBL_2303260	Inhibition of human RORgammat expressed in COS7 cells by luciferase assay
50019137	8	ChEMBL_2303261	Inhibition of RORgamma (unknown origin)
50019137	10	ChEMBL_2303272	Inhibition of RORgamma LBD (unknown origin) incubated for 1 hr by TR-FRET assay
50019137	11	ChEMBL_2303275	Inverse agonist activity at GAL4-tagged RORgammat (unknown origin) expressed in HEK293 cells measured after 18 hrs by luciferase assay
50019137	12	ChEMBL_2303280	Inverse agonist activity at His-tagged human RORgammat LBD assessed as inhibition of biotinylated RIP140 co-activator peptide binding incubated for 1 hr by TR-FRET assay
50019137	13	ChEMBL_2303284	Antagonist activity at RORgammat LBD (unknown origin) assessed as fluorescent polarization signal measured in presence of fluorescein-labeled LXR agonist T0901317 after 4 hrs by competitive binding assay
50019137	14	ChEMBL_2303285	Inhibition of His-tagged human RORgammat LBD in presence of biotin-coactivator peptide SRC1 binding incubated for 1 hr by TR-FRET assay
50019137	15	ChEMBL_2303286	Inhibition of RORgammat (unknown origin) by binding assay
50019137	17	ChEMBL_2303295	Inhibition of human GAL4-fused RORgammat LBD transfected in Escherichia coli BL21(DE3) cell measured after 16 hrs by HTRF assay
50019137	18	ChEMBL_2303298	Inhibition of biotinylated human RORgammat by FRET assay
50019137	19	ChEMBL_2303299	Inverse agonist activity at GAL4-RORgammat LBD (unknown origin) expressed in HEK293 cells measured after 18 to 24 hrs by nuclear receptor assay
50019137	20	ChEMBL_2303305	Inverse agonist activity at human GAL4-RORgamma DBD expressed in HEK293 cells measured after 24 hrs by ligand binding assay
50019137	21	ChEMBL_2303306	Inhibition of RORgammat LBD (unknown origin) expressed in Sf21 cells assessed as fluorescence signal by TR-FRET assay
50019137	22	ChEMBL_2303307	Inhibition of GAL4-RORgammat LBD (unknown origin)
50019137	23	ChEMBL_2303308	Inhibition of human RORgammmat LBD expressed in Escherichia coli by ThermoFluro assay
50019137	24	ChEMBL_2303309	Inhibition of human RORgammmat LBD expressed in Escherichia coli by FRET co-activator peptide assay
50019137	25	ChEMBL_2303310	Inhibition of human RORgammmat LBD expressed in HEK293T by one-hybrid reporter assay
50019137	26	ChEMBL_2303311	Inhibition of human RORgammmat LBD expressed in HEK293T by two-hybrid reporter assay
50019139	1	ChEMBL_2303312	Inhibition of TGF-beta (unknown origin)
50019139	2	ChEMBL_2303313	Inhibition of ALK5 (unknown origin)
50019139	3	ChEMBL_2303314	Agonist activity at human TLR8 expressed in HEK293 cells by reporter gene assay
50019139	4	ChEMBL_2303316	Inhibition of human recombinant ARG1
50019139	5	ChEMBL_2303317	Inhibition of recombinant human ARG2
50019139	6	ChEMBL_2303318	Binding affinity to human adenosine A2A receptor assessed as inhibition constant
50019139	7	ChEMBL_2303320	Inverse agonist activity at human RORgammat
50019139	8	ChEMBL_2303321	Agonist activity at human RORgammat
50019139	9	ChEMBL_2303322	Antagonist activity at CXCR4 receptor in human MIA PaCa-2 cells assessed as reduction in forskolin-stimulated inhibition of cAMP production
50019139	10	ChEMBL_2303324	Inhibition of human IDO1
50019139	11	ChEMBL_2303325	Inhibition of human ARG1
50019139	12	ChEMBL_2303328	Competitive inhibition of human ARG2
50019139	13	ChEMBL_2303329	Inhibition of human NTPDase1
50019139	14	ChEMBL_2303330	Inhibition of human N-terminal Ecto-5'-nucleotidase
50019139	15	ChEMBL_2303331	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 24 hrs by HTRF assay
50019140	1	ChEMBL_2303332	Displacement of [3H]GX-545 from human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit by liquid scintillation counting analysis
50019140	2	ChEMBL_2303333	Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -60 mV holding potential by whole-cell patch voltage clamp electrophysiology recording
50019140	3	ChEMBL_2303334	Inhibition of human Nav1.5 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -60 mV holding potential by whole-cell patch voltage clamp electrophysiology recording
50019140	4	ChEMBL_2303337	Inhibition of CYP3A4 (unknown origin)
50019140	5	ChEMBL_2303338	Inhibition of CYP1A2 (unknown origin)
50019140	6	ChEMBL_2303339	Inhibition of CYP2C19 (unknown origin)
50019140	7	ChEMBL_2303340	Inhibition of CYP2C9 (unknown origin)
50019140	8	ChEMBL_2303341	Inhibition of CYP2D6 (unknown origin)
50019140	9	ChEMBL_2303342	Inhibition of hERG
50019140	10	ChEMBL_2303356	Inhibition of mouse Nav1.7 at -60 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	11	ChEMBL_2303357	Inhibition of rat Nav1.7 at -60 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	12	ChEMBL_2303358	Inhibition of human Nav1.5 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -60 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	13	ChEMBL_2303359	Inhibition of human Nav1.2 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -35 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	14	ChEMBL_2303360	Inhibition of human Nav1.1 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -40 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	15	ChEMBL_2303361	Inhibition of human Nav1.6 alpha subunit expressed in HEK293 cells co-expressing beta1 subunit at -35 mV holding potential by PatchXpress automated voltage clamp electrophysiology technique
50019140	16	ChEMBL_2303363	Inhibition of TTX-resistant Nav1.8 in mouse dorsal root ganglion neuron by voltage clamp recording
50019141	1	ChEMBL_2303413	Binding affinity to recombinant human MDM2 (1 to 118 residues) assessed as inhibition constant using FAM-tagged p-53 based peptide as substrate by fluorescence polarization based assay
50019142	1	ChEMBL_2303620	Binding affinity to 6His-tagged human BRD9 bromodomain (134 to 239 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by ITC analysis
50019142	2	ChEMBL_2303624	Binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by ITC analysis
50019142	3	ChEMBL_2303628	Negative co-operative binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant in the presence of BRD9-BD as complex with compound by ITC analysis
50019142	4	ChEMBL_2303637	Binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant using FAM-DEALAHypYIPMDDDFQLRSF peptide as substrate by fluorescence polarisation
50019142	5	ChEMBL_2303638	Negative co-operative binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant in the presence of BRD9-BD as complex with compound using FAM-DEALAHypYIPMDDDFQLRSF peptide as substrate by fluorescence polarization assay
50019142	6	ChEMBL_2303639	Co-operative binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant in the presence of BRD9-BD as complex with compound using FAM-DEALAHypYIPMDDDFQLRSF peptide as substrate by fluorescence polarization assay
50019142	7	ChEMBL_2303674	Co-operative binding affinity to 6His-tagged human VHL/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant in the presence of BRD9-BD as complex with compound by ITC analysis
50019143	1	ChEMBL_2303733	Inhibition of KIT (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	2	ChEMBL_2303734	Inhibition of PDGFRbeta (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	3	ChEMBL_2303735	Inhibition of HPK1 (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	4	ChEMBL_2303736	Inhibition of CSF1R (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	5	ChEMBL_2303737	Inhibition of PDGFRalpha (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	6	ChEMBL_2303738	Inhibition of FLT3 (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019143	7	ChEMBL_2303739	Inhibition of FLT3 ITD mutant (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50019144	1	ChEMBL_2303790	Binding affinity to VHL (unknown origin) incubated for 60 mins by FP based binding assay
50019145	1	ChEMBL_2303834	Binding affinity to DCN1 (unknown origin) assessed as inhibition of constant by fluorescence polarization assay
50019145	2	ChEMBL_2303874	Inhibition of full length human CDK4/N-terminal GST fused human cyclinD3 expressed in baculovirus expression system using 5-FAMIPTSPITTTYFFFKKK-COOH as substrate incubated for 60 mins in presence of ATP
50019145	3	ChEMBL_2303875	Inhibition of full length human CDK6/N-terminal GST fused human cyclinD3 expressed in baculovirus expression system using 5-FAMIPTSPITTTYFFFKKK-COOH as substrate incubated for 60 mins in presence of ATP
50019145	4	ChEMBL_2303876	Inhibition of C-terminal His6 tagged full length recombinant human CDK9/full length human Cyclin T1 expressed in baculovirus infected Sf21 cells using 5-FAM-ACSYSPTSPSYSPTSPSYSPTSPSKK as substrate incubated for 60 mins in presence of ATP
50019145	5	ChEMBL_2303877	Inhibition of recombinant full length human C-terminal His6-tagged CDK7/untagged recombinant full length human Cyclin H/N-terminal GST-tagged recombinant full length human MAT1 expressed in baculovirus infected Sf21 cells using 5-FAM-ACSYSPTSPSYSPTSPSYSPTSPSKK as substrate incubated for 60 mins in presence of ATP
50019145	6	ChEMBL_2303878	Inhibition of GST-tagged human CDK2/Cyclin A2 expressed in baculovirus infected Sf9 cells using 5-FAM-QSPKKG-CONH2 as substrate incubated for 60 mins in presence of ATP
50019145	7	ChEMBL_2303879	Inhibition of C-terminal His6 tagged human full length CDK1/N-terminal GST-tagged human full length Cyclin B expressed in baculovirus infected Sf21 cells using 5-FAM-QSPKKG-CONH2 as substrate incubated for 60 mins in presence of ATP
50019145	8	ChEMBL_2303880	Inhibition of human EGFR L858R mutant (669 to 1210 residues) expressed in Sf21 insect cells using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate incubated for 60 mins
50019145	9	ChEMBL_2303881	Inhibition of N-terminal GST-tagged full length human BTK (2 to 659 residues) expressed in Sf21 insect cells using 5-FAM-EAIYAAPFAKKK as substrate incubated for 60 mins
50019146	1	ChEMBL_2303941	Inhibition of human N-terminal His-GST-tagged recombinant PDE3A (669-end residues) using fluorescent labelled cAMP as substrate
50019146	2	ChEMBL_2303942	Inhibition of human recombinant PDE3B
50019147	1	ChEMBL_2304131	Inverse agonist activity at LXRalpha in human HEK293 cells by luciferase reporter assay
50019147	2	ChEMBL_2304132	Inverse agonist activity at LXRbeta in human HEK293 cells by luciferase reporter assay
50019147	3	ChEMBL_2304133	Agonist activity at FXR (unknown origin) by fluorescence resonance energy tranfer assay
50019147	4	ChEMBL_2304134	Agonist activity at full length FXR in human Huh-7 cells
50019147	5	ChEMBL_2304135	Agonist activity at FXR (unknown origin)
50019147	6	ChEMBL_2304136	Agonist activity at mouse PPARalpha
50019147	7	ChEMBL_2304137	Agonist activity at human PPARalpha
50019147	8	ChEMBL_2304138	Agonist activity at PPARalpha (unknown origin)
50019147	9	ChEMBL_2304139	Agonist activity at Gal4-fused PPARalpha LBD (unknown origin) transfected in human HepG2 cells assessed as transcriptional activation incubated for 24 hrs by luciferase assay
50019147	10	ChEMBL_2304140	Agonist activity at PPARgamma (unknown origin)
50019147	11	ChEMBL_2304141	Agonist activity at PPARalpha (unknown origin) assessed as transcriptional activation
50019147	12	ChEMBL_2304142	Agonist activity at PPARgamma (unknown origin) assessed as transcriptional activation
50019147	13	ChEMBL_2304143	Agonist activity at PPARalpha in human HepG2 cells
50019147	14	ChEMBL_2304144	Agonist activity at PPARgamma in human HepG2 cells
50019147	15	ChEMBL_2304145	Agonist activity at human PPARdelta
50019147	16	ChEMBL_2304146	Agonist activity at human PPARgamma
50019147	17	ChEMBL_2304147	Antagonist at CCR5 (unknown origin) assessed as inhibitory constant
50019147	18	ChEMBL_2304148	Antagonist activity at CCR2 (unknown origin)
50019147	19	ChEMBL_2304149	Antagonist activity at CCR5 (unknown origin)
50019147	20	ChEMBL_2304152	Agonist activity at human N-terminal GLP-1 receptor
50019147	21	ChEMBL_2304154	Displacement of 125I-liraglutide from GLP-1 (unknown origin) by competitive binding assay
50019147	22	ChEMBL_2304155	Binding affinity to PPARalpha (unknown origin)
50019147	23	ChEMBL_2304156	Binding affinity to PPARgamma (unknown origin)
50019147	24	ChEMBL_2304157	Agonist activity at PPARdelta (unknown origin)
50019148	1	ChEMBL_2304337	Inhibition of human recombinant CA1
50019148	2	ChEMBL_2304338	Inhibition of human recombinant CA2
50019148	3	ChEMBL_2304339	Inhibition of human recombinant CA4
50019148	4	ChEMBL_2304340	Inhibition of human recombinant CA9
50019148	5	ChEMBL_2304341	Inhibition of human CA1
50019148	6	ChEMBL_2304342	Inhibition of human CA2
50019148	7	ChEMBL_2304343	Inhibition of human CA9
50019148	8	ChEMBL_2304344	Inhibition of human CA12
50019148	9	ChEMBL_2304347	Inhibition of AChE (unknown origin)
50019148	10	ChEMBL_2304354	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019148	11	ChEMBL_2304355	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019148	12	ChEMBL_2304356	Inhibition of human CA1 by UV spectrophotometric analysis
50019148	13	ChEMBL_2304357	Inhibition of human CA2 by UV spectrophotometric analysis
50019148	14	ChEMBL_2304358	Inhibition of AChE (unknown origin) by UV spectrophotometric analysis
50019148	15	ChEMBL_2304372	Inhibition of human MAO-A by spectrofluorimetric analysis
50019148	16	ChEMBL_2304373	Inhibition of human MAO-B by spectrofluorimetric analysis
50019149	1	ChEMBL_2304380	Antagonist activity at LuxN signaling in Vibrio harveyi HLS253 assessed as inhibition of 3-hydroxybutanoyl homoserine lactone induced bioluminescence by autoinducer based bioluminescence assay
50019149	2	ChEMBL_2304394	Antagonist activity against LuxPQ quorum sensing system in Vibrio harveyi MM32 assessed as inhibition of luminescence intensity incubated for 3 to 4 hrs by luminescence microplate reader analysis
50019149	3	ChEMBL_2304397	Antagonist activity against Vibrio harveyi BB120 LuxN assessed as inhibition of AI-2 regulated bioluminescence and measured after 6 hrs by bioluminescence assay
50019150	1	ChEMBL_2304417	Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE3 cells assessed as reduction in PGD2 production using PGH2 as substrate by RapidFire High Throughput Mass spectrometry
50019150	2	ChEMBL_2304418	Inhibition of H-PGDS in rat RBL cells assessed as reduction in A23187-induced PGD2 production pretreated for 30 mins followed by A23187 addition for 30 mins by RapidFire Mass spectrometry
50019150	3	ChEMBL_2304438	Binding affinity to human H-PGDS expressed in Escherichia coli BL21 DE3 cells assessed as equilibrium dissociation constant by measuring changes in intrinsic tryptophan fluorescence in presence of glutathione by fluorescence based analysis
50019150	4	ChEMBL_2304440	Inhibition of L-PGDS (unknown origin)
50019150	5	ChEMBL_2304481	Inhibition of CYP3A4 (unknown origin)
50019150	6	ChEMBL_2304482	Inhibition of hERG
50019151	1	ChEMBL_2304631	Binding affinity to ACK1 (unknown origin)
50019151	2	ChEMBL_2304633	Inhibition of ACK1 (unknown origin)
50019152	1	ChEMBL_2304635	Inhibition of human TRPM8 expressed in HEK293 cells assessed as reduction in ethyl 4-methoxy-2-phenylthiazole-5-carboxylate induced Ca2+ efflux preincubated for 5 mins followed by ethyl 4-methoxy-2-phenylthiazole-5-carboxylate addition and measured for 3 mins by FLIPR assay
50019152	2	ChEMBL_2304656	Inhibition of human TRPM8 expressed in HEK293 cells assessed as reduction in icilin induced Ca2+ efflux preincubated for 5 mins followed by icilin addition and measured for 3 mins by FLIPR assay
50019152	3	ChEMBL_2304657	Inhibition of human TRPM8 expressed in HEK293 cells assessed as reduction in cold stimulated Ca2+ efflux preincubated for 5 mins followed by cold stimulation and measured for 3 mins
50019152	4	ChEMBL_2304663	Inhibition of human TRPM8 expressed in HEK293 cells assessed as decrease in outward currents by patch clamp electrophysiology method
50019152	5	ChEMBL_2304664	Inhibition of human TRPM8 N799A mutant expressed in HEK293 cells assessed as reduction in ethyl 4-methoxy-2-phenylthiazole-5-carboxylate induced Ca2+ efflux
50019152	6	ChEMBL_2304665	Inhibition of human TRPM8 D802A mutant expressed in HEK293 cells assessed as reduction in ethyl 4-methoxy-2-phenylthiazole-5-carboxylate induced Ca2+ efflux
50019152	7	ChEMBL_2304666	Inhibition of wild type human TRPM8 expressed in HEK293 cells assessed as reduction in ethyl 4-methoxy-2-phenylthiazole-5-carboxylate induced Ca2+ efflux
50019152	8	ChEMBL_2304667	Inhibition of human TRPM8 I746A mutant expressed in HEK293 cells assessed as reduction in ethyl 4-methoxy-2-phenylthiazole-5-carboxylate induced Ca2+ efflux
50019152	9	ChEMBL_2304668	Inhibition of human TRPM8 I746A mutant expressed in HEK293 cells assessed as reduction in icilin induced Ca2+ efflux
50019152	10	ChEMBL_2304669	Inhibition of wild type human TRPM8 expressed in HEK293 cells assessed as reduction in icilin induced Ca2+ efflux
50019154	1	ChEMBL_2304679	Inhibition of Bacillus subtilis MraY using UDP-MurNAc-pentapeptide as substrate incubated for 30 mins by radioactivity based analysis
50019154	2	ChEMBL_2304680	Inhibition of Staphylococcus aureus MraY using UDP-MurNAc-dansylpentapeptide as substrate incubated for 3 hrs by fluorescence based microplate reader analysis
50019154	3	ChEMBL_2304682	Inhibition of Bacillus subtilis MraY
50019155	1	ChEMBL_2304683	Inhibition of PAK4 (unknown origin)
50019155	2	ChEMBL_2304684	Inhibition of PLK4 (unknown origin)
50019155	3	ChEMBL_2304685	Inhibition of FAK (unknown origin)
50019155	4	ChEMBL_2304686	Inhibition of TRKC (unknown origin) using TK as substrate in presence of ATP incubated for 40 mins by HTRF KinEASE assay
50019155	5	ChEMBL_2304687	Inhibition of TRKA (unknown origin) using TK as substrate in presence of ATP incubated for 30 mins by HTRF KinEASE assay
50019155	6	ChEMBL_2304689	Inhibition of TRKB (unknown origin) using TK as substrate in presence of ATP incubated for 40 mins by HTRF KinEASE assay
50019156	1	ChEMBL_2304704	Inhibition of human carbonic anhydrase 2 assessed as Ki by stopped-flow carbon dioxide hydration assay
50019156	2	ChEMBL_2304705	Inhibition of human carbonic anhydrase 9 assessed as Ki by stopped-flow carbon dioxide hydration assay
50019156	3	ChEMBL_2304707	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant
50019156	4	ChEMBL_2304708	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant
50019157	1	ChEMBL_2304754	Inhibition of Mycobacterium tuberculosis H37Rv DprE1 assessed as formation of resorufin using farnesyl-phosphoryl-beta-D-ribofuranose by AmplexRed reagent based fluorescence assay
50019157	2	ChEMBL_2304786	Inhibition of human ERG
50019158	1	ChEMBL_2304821	Agonist activity at human PPAR-alpha assessed as receptor transactivation by measuring maximum induction of alkaline phosphatase activity
50019158	2	ChEMBL_2304822	Agonist activity at human PPAR-delta assessed as receptor transactivation by measuring maximum induction of alkaline phosphatase activity
50019158	3	ChEMBL_2304823	Agonist activity at human PPAR-gamma assessed as receptor transactivation by measuring maximum induction of alkaline phosphatase activity
50019158	4	ChEMBL_2304824	Agonist activity at Gal4-fused human PPAR-delta ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019158	5	ChEMBL_2304826	Agonist activity at Gal4-fused human PPAR-alpha ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019158	6	ChEMBL_2304829	Agonist activity at Gal4-fused human PPAR-gamma ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019158	7	ChEMBL_2304832	Agonist activity at Gal4-fused mouse PPAR-delta ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019158	8	ChEMBL_2304834	Agonist activity at Gal4-fused mouse PPAR-alpha ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019158	9	ChEMBL_2304837	Agonist activity at Gal4-fused mouse PPAR-gamma ligand binding domain expressed in CHO-K1 cells assessed as receptor transactivation incubated for 24 to 48 hrs by luciferase reporter gene assay
50019159	1	ChEMBL_2304861	Inhibition of bovine brain tubulin assembly
50019162	4	ChEMBL_2306848	Inhibition of C-terminal 6His-tagged recombinant mouse CD73 (29 to 549 residues) expressed in CHO cells incubated for 1 hr by malachite green assay
50019162	5	ChEMBL_2306849	Inhibition of CD73 in mouse plasma incubated for 5 mins in presence of 15N5-AMP by LC/MS analysis
50019162	6	ChEMBL_2306850	Inhibition of CD73 in human plasma derived from HNSCC cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysis
50019162	7	ChEMBL_2306851	Inhibition of CD73 in human plasma derived from ovarian cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysis
50019162	8	ChEMBL_2306852	Inhibition of CD73 in human plasma derived from TNBC cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysis
50019162	9	ChEMBL_2306853	Inhibition of CD73 in human plasma derived from esophageal cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysis
50019162	10	ChEMBL_2306854	Inhibition of full length human CD39 expressed in human K562 cells incubated for 40 mins in presence of ATP by Kinase Glo assay
50019162	11	ChEMBL_2306855	Inhibition of C-terminal 6His-tagged recombinant human ENTPD2 (29 to 460 residues) expressed in CHO cells incubated for 30 mins in presence of ATP by malachite green assay
50019162	12	ChEMBL_2306856	Inhibition of C-terminal 6His-tagged recombinant human ENTPD3 (44 to 485 residues) expressed in mouse NS0 cells incubated for 15 mins in presence of ATP by malachite green assay
50019162	13	ChEMBL_2306895	Competitive inhibition of soluble C-terminal 6His-tagged recombinant human CD73 (27 to 547 residues) expressed in CHO cells assessed as inhibition constant incubated for 1 hr by malachite green based spectrophotometer assay
50019162	14	ChEMBL_2306896	Competitive inhibition of cell surface anchored CD73 (unknown origin) expressed in human SK-MEL-28 cells assessed as inhibition constant incubated for 30 mins by malachite green assay
50019162	15	ChEMBL_2306897	Inhibition of recombinant human CD73
50019163	1	ChEMBL_2306898	Agonist activity at human GAL4-fused RXRalpha LBD expressed in human HEK293T cells cotransfected with pFR-Luc and pRL-SV40 assessed as increase in luciferase activity incubated for 16 hrs by Dual-Glo luciferase assay
50019163	2	ChEMBL_2306901	Agonist activity at human GAL4-fused RXRbeta LBD expressed in human HEK293T cells cotransfected with pFR-Luc and pRL-SV40 assessed as increase in luciferase activity incubated for 16 hrs by Dual-Glo luciferase assay
50019163	3	ChEMBL_2306904	Agonist activity at human GAL4-fused RXRgamma LBD expressed in human HEK293T cells cotransfected with pFR-Luc and pRL-SV40 assessed as increase in luciferase activity incubated for 16 hrs by Dual-Glo luciferase assay
50019163	4	ChEMBL_2306944	Binding affinity to human RXRbeta LBD and measured for 180 sec by ITC analysis
50019163	5	ChEMBL_2306945	Binding affinity to human RXRgamma LBD and measured for 180 sec by ITC analysis
50019163	6	ChEMBL_2306946	Binding affinity to human RXRalpha LBD and measured for 180 sec by ITC analysis
50019164	1	ChEMBL_2306957	Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in P70S6K phosphorylation at Thr389 by AlphaLISA assay
50019164	2	ChEMBL_2306958	Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in 4EBP1 phosphorylation at Thr37/46 by AlphaLISA assay
50019164	3	ChEMBL_2306962	Inhibition of recombinant human EmGFP fused FKBP12/GST-tagged human mTOR (1360 to 2549 residues) FRB domain incubated for 1 hrs by LanthaScreen based TR-FRET assay
50019165	1	ChEMBL_2307001	Inhibition of human recombinant MAO-B using tyramine as substrate assessed as inhibition constant by peroxidase-coupled reaction assay
50019165	2	ChEMBL_2307002	Inhibition of LSD1 (unknown origin) assessed as inhibition constant by peroxidase-coupled assay
50019165	3	ChEMBL_2307003	Inhibition of MAO-A (unknown origin) assessed as inhibition constant
50019165	4	ChEMBL_2307004	Inhibition of LSD2 (unknown origin) assessed as inhibition constant
50019165	5	ChEMBL_2307005	Inhibition of MAO-B (unknown origin) assessed as inhibition constant
50019165	6	ChEMBL_2307006	Inhibition of human recombinant LSD1/CoREST expressed in Escherichia coli using Lys4 monomethylated histone H3 peptide as substrate assessed as inhibition constant by peroxidase-coupled assay
50019165	7	ChEMBL_2307007	Inhibition of mouse recombinant LSD2 expressed in Escherichia coli using Lys4 dimethylated histone H3 peptide assessed as inhibition constant by peroxidase-coupled assay
50019165	8	ChEMBL_2307008	Inhibition of human recombinant MAO-B expressed in Pichia pastoris assessed as inhibition constant using benzylamine as substrate by peroxidase-coupled assay
50019165	9	ChEMBL_2307009	Binding affinity to human recombinant MAO-A expressed in Pichia pastoris assessed as inhibition constant using kynuramine as substrate by peroxidase-coupled assay
50019165	10	ChEMBL_2307010	Inhibition of human recombinant MAO-A using tyramine as substrate assessed as inhibition constant by peroxidase-coupled reaction assay
50019165	11	ChEMBL_2307011	Inhibition of hexahistidine-tagged LSD1 (unknown origin) (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substrate by peroxidase-coupled reaction assay
50019165	12	ChEMBL_2307012	Inhibition of hexahistidine-tagged LSD1 (unknown origin) (172 to 833 residues) expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substrate assessed as inhibition constant by peroxidase-coupled reaction assay
50019165	13	ChEMBL_2307013	Inhibition of LSD1 (unknown origin)
50019165	14	ChEMBL_2307014	Inhibition of human LSD1-CoREST expressed in Escherichia coli assessed as inhibition constant
50019165	15	ChEMBL_2307015	Inhibition of human LSD1-CoREST expressed in Escherichia coli assessed as dissociation constant
50019165	16	ChEMBL_2307016	Irreversible inhibition of LSD1 (unknown origin) assessed as inhibition constant
50019165	17	ChEMBL_2307017	Irreversible inhibition of LSD2 (unknown origin) assessed as inhibition constant
50019165	18	ChEMBL_2307018	Irreversible inhibition of MAO-A (unknown origin) assessed as inhibition constant
50019165	19	ChEMBL_2307019	Irreversible inhibition of MAO-B (unknown origin) assessed as inhibition constant
50019165	20	ChEMBL_2307020	Inhibition of GST tagged LSD1 (unknown origin) expressed in Escherichia coli using dimethyl-Lys-4 H3-21 peptide as substrate assessed as inhibition constant by peroxidase-coupled assay
50019165	21	ChEMBL_2307026	Inhibition of recombinant human LSD1/CoREST by SPR analysis
50019165	22	ChEMBL_2307027	Reversible inhibition of 6-his tagged LSD1 (172 to 833 residues) (unknown origin) expressed in Escherichia coli Rosetta 2/6-his tagged CoREST1 (308 to 485 residues) (unknown origin) using H3K4mel peptide as substrate assessed as inhibition constant by horseradish peroxidase-coupled fluorescence assay
50019166	1	ChEMBL_2307028	Competitive inhibition of PKD1 (unknown origin) in presence of ATP
50019166	2	ChEMBL_2307029	Inhibition of PKD1 (unknown origin)
50019166	3	ChEMBL_2307030	Binding affinity to PKD1 (unknown origin) assessed as dissociation constant
50019166	4	ChEMBL_2307031	Inhibition of PKD2 (unknown origin)
50019166	5	ChEMBL_2307032	Inhibition of PKD3 (unknown origin)
50019166	6	ChEMBL_2307035	Competitive inhibition of PKD2 (unknown origin) in presence of ATP
50019166	7	ChEMBL_2307036	Competitive inhibition of PKD3 (unknown origin) in presence of ATP
50019166	8	ChEMBL_2307037	Inhibition of PKD1 autophosphorylation at S916 residue in human PANC-1 cells
50019166	9	ChEMBL_2307038	Inhibition of PKD1 autophosphorylation at S916 residue in human LNCaP cells
50019167	1	ChEMBL_2307073	Binding affinity to mouse mu opioid receptor expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by competitive radioligand binding assay
50019167	2	ChEMBL_2307074	Binding affinity to mouse kappa opioid receptor expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by competitive radioligand binding assay
50019167	3	ChEMBL_2307075	Binding affinity to human delta opioid receptor expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by competitive radioligand binding assay
50019167	4	ChEMBL_2307078	Binding affinity to mouse mu opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counter analysis
50019167	5	ChEMBL_2307080	Binding affinity to mouse kappa opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counter analysis
50019167	6	ChEMBL_2307082	Binding affinity to human delta opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding incubated for 1.5 hrs by liquid scintillation counter analysis
50019167	7	ChEMBL_2307087	Antagonist activity at mouse mu opioid receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of DAMGO induced increase in intracellular calcium flux incubated for 15 mins by Calcium flux assay
50019167	8	ChEMBL_2307090	Inhibition of human ERG expressed in CHO-K1 cells with holding potential of -80 mV by automated patch clamp assay
50019168	1	ChEMBL_2307141	Inhibition of recombinant human LDHA
50019168	2	ChEMBL_2307142	Inhibition of recombinant human LDHB
50019168	3	ChEMBL_2307143	Inhibition of human LDHA
50019168	4	ChEMBL_2307144	Inhibition of human LDHB
50019169	1	ChEMBL_2307147	Agonist activity at LXRalpha (unknown origin) transfected in HEK293T cells incubated for 20 hrs by luciferase reporter assay
50019169	2	ChEMBL_2307149	Agonist activity at LXRbeta (unknown origin) transfected in HEK293T cells incubated for 20 hrs by luciferase reporter assay
50019170	1	ChEMBL_2307184	Inhibition of C-terminal His-tagged full length Escherichia coli GIpG expressed in Escherichia coli C43 (DE3) using Ac-RVRHA-4mc as substrate preincubated for 1 hr followed by substrate addition by fluorescence based plate reader assay
50019170	2	ChEMBL_2307185	Inhibition of recombinant C-terminal hexahistidine tagged mature human PARL using Ac-RRRAVFLA-4mc as substrate preincubated for 1 hr followed by substrate addition by fluorescence based plate reader assay
50019170	3	ChEMBL_2307186	Inhibition of tetracycline inducible FLAG tagged human PARL expressed in human PARL knockout Flp-In-T-REx-293 cells cotransfected human PGAM5-Myc assessed as inhibition of PGAM5 cleavage incubated over night by immunoblot analysis
50019170	4	ChEMBL_2307187	Inhibition of human PARL expressed in human HEK293T cells cotransfected human FLAG tagged PGAM5 assessed as inhibition of CCCP induced full length PGAM5 cleavage incubated for 3 hrs by immunoblot analysis
50019171	1	ChEMBL_2307201	Inhibition of HPK1 (unknown origin) using MBP protein as substrate in presence of ATP preincubated for 15 mins followed by substrate addition and measured after 90 mins by ADP-Glo assay
50019171	2	ChEMBL_2307202	Inhibition of GLK (unknown origin) using MBP protein as substrate in presence of ATP preincubated for 15 mins followed by substrate addition and measured after 90 mins by ADP-Glo assay
50019171	3	ChEMBL_2307210	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019171	4	ChEMBL_2307211	Inhibition of human ERG
50019171	5	ChEMBL_2307212	Inhibition of HPK1 in human PBMC cells assessed as inhibition of SLP76 phosphorylation incubated for 4 hr by HTRF analysis
50019171	6	ChEMBL_2307215	Inhibition of IRAK4 (unknown origin) by Kinase assay
50019171	7	ChEMBL_2307216	Inhibition of RSE (unknown origin) by Kinase assay
50019171	8	ChEMBL_2307217	Inhibition of CLK2 (unknown origin) by Kinase assay
50019171	9	ChEMBL_2307218	Inhibition of TrkA (unknown origin) by Kinase assay
50019171	10	ChEMBL_2307219	Inhibition of TAO1 (unknown origin) by Kinase assay
50019171	11	ChEMBL_2307220	Inhibition of Mer (unknown origin) by Kinase assay
50019171	12	ChEMBL_2307221	Inhibition of GCK (unknown origin) by Kinase assay
50019171	13	ChEMBL_2307223	Inhibition of GLK (unknown origin) by Kinase assay
50019171	14	ChEMBL_2307224	Inhibition of HGK (unknown origin) by Kinase assay
50019171	15	ChEMBL_2307225	Inhibition of KHS (unknown origin) by Kinase assay
50019171	16	ChEMBL_2307226	Inhibition of MINK (unknown origin) by Kinase assay
50019172	1	ChEMBL_2307284	Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in HEK293 cell membrane incubated for 90 mins by beta scintillation counter method
50019172	2	ChEMBL_2307285	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in HEK293 cell membrane incubated for 90 mins by beta scintillation counter method
50019172	3	ChEMBL_2307287	Inhibition of recombinant human FAAH using AMC-AA as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by fluorometric assay
50019172	4	ChEMBL_2307289	Agonist activity at human CB2 receptor overexpressed in CHO-K1 cells assessed as cAMP level incubated for 30 mins by luminescence based assay
50019172	5	ChEMBL_2307293	Agonist activity at mouse CB2 receptor transfected in CHO-K1 cells assessed as beta2-arrestin recruitment incubated for 90 mins by luminescence based assay
50019172	6	ChEMBL_2307319	Binding affinity to human CB1 receptor in CHO cells incubated for 15 mins by plate reader analysis
50019173	1	ChEMBL_2307345	Displacement of FAM- labeled YAP1 peptide (60 to 99 residues) from human TEAD1 (209 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 24 hrs by fluorescence polarization-based competitive binding assay
50019173	2	ChEMBL_2307346	Displacement of FAM- labeled YAP1 peptide (60 to 99 residues) from human TEAD2 (217 to 447 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 24 hrs by fluorescence polarization-based competitive binding assay
50019173	3	ChEMBL_2307348	Displacement of FAM- labeled YAP1 peptide (60 to 99 residues) from human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 24 hrs by fluorescence polarization-based competitive binding assay
50019173	4	ChEMBL_2307357	Inhibition of TEAD4 (unknown origin) transfected in human HEK293 cells co-transfected with renilla plasmid assessed as inhibition of transcriptional activity incubated for 24 hrs by dual Glo-luciferase reporter assay
50019173	5	ChEMBL_2307362	Inhibition of TEAD1 (unknown origin) transfected in human HEK293 cells co-transfected with renilla plasmid assessed as inhibition of transcriptional activity incubated for 24 hrs by dual Glo-luciferase reporter assay
50019173	6	ChEMBL_2307363	Inhibition of TEAD2 (unknown origin) transfected in human HEK293 cells co-transfected with renilla plasmid assessed as inhibition of transcriptional activity incubated for 24 hrs by dual Glo-luciferase reporter assay
50019173	7	ChEMBL_2307364	Inhibition of TEAD3 (unknown origin) transfected in human HEK293 cells co-transfected with renilla plasmid assessed as inhibition of transcriptional activity incubated for 24 hrs by dual Glo-luciferase reporter assay
50019174	1	ChEMBL_2307387	Inhibition of N-terminal nanoLuc-tagged YEATS3 in HEK293T cells co-transfected with C-terminal halo-tagged histone 3.3 incubated for 24 hrs in presence of SAHA by NanoBRET assay
50019174	2	ChEMBL_2307388	Binding affinity to human his-tagged recombinant YEATS4 expressed in Escherichia coli assessed as inhibition constant using biotin tagged lysine 27-crotonylated histone H3 peptide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FRET analysis
50019174	3	ChEMBL_2307389	Binding affinity to human his-tagged recombinant YEATS1 expressed in Escherichia coli assessed as inhibition constant using biotin tagged lysine 27-crotonylated histone H3 peptide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FRET analysis
50019174	4	ChEMBL_2307390	Binding affinity to human his-tagged recombinant YEATS2 expressed in Escherichia coli assessed as inhibition constant using biotin tagged lysine 27-crotonylated histone H3 peptide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FRET analysis
50019174	5	ChEMBL_2307391	Binding affinity to human his-tagged recombinant YEATS3 expressed in Escherichia coli assessed as inhibition constant using biotin tagged lysine 27-crotonylated histone H3 peptide as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by FRET analysis
50019174	6	ChEMBL_2307394	Inhibition of hERG assessed as inhibition constant by patch-clamp assay
50019174	7	ChEMBL_2307400	Inhibition of N-terminal nanoLuc-tagged YEATS4 in HEK293T cells co-transfected with C-terminal halo-tagged histone 3.3 incubated for 24 hrs in presence of SAHA by NanoBRET assay
50019174	8	ChEMBL_2307402	Binding affinity to C-terminal biotin-tagged YEATS4 (unknown origin) by SPR analysis
50019174	9	ChEMBL_2307403	Binding affinity to YEATS4 (unknown origin) assessed as dissociation constant by isothermal calorimetric analysis
50019175	1	ChEMBL_2307466	Inhibition of NAMPT (unknown origin) using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins in presence of ATP by fluorescence based microplate reader analysis
50019176	1	ChEMBL_2307519	Binding affinity to Uba1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by fluorescence polarisation assay
50019177	1	ChEMBL_2307537	Inhibition of recombinant human full length EP300 assessed as inhibition of H4 peptide acetylation using biotinylated H4 peptide as substrate in presence of Acetyl-CoA incubated for 60 mins by TR-FRET assay
50019177	2	ChEMBL_2307538	Inhibition of EP300 in human LK2 cells assessed as reduction in intracellular H3K27 acetylation incubated for 3 hrs by chemiluminescence based ELISA
50019177	3	ChEMBL_2307556	Inhibition of CBP (unknown origin) biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019177	4	ChEMBL_2307557	Inhibition of TIP60 (unknown origin) biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019177	5	ChEMBL_2307558	Inhibition of MYST2 (unknown origin) biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019177	6	ChEMBL_2307559	Inhibition of MYST4 (unknown origin) biotinylated H4 (1 to 25)-GSGSK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019177	7	ChEMBL_2307560	Inhibition of PCAF (unknown origin) biotinylated H3 (1 to 21)-GGK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019177	8	ChEMBL_2307561	Inhibition of GCN5 (unknown origin) biotinylated H3 (1 to 21)-GGK peptide as substrate incubated for 1 hr in presence of acetyl-coA by AlphaLISA assay
50019178	1	ChEMBL_2307578	Activation of human wild-type CFTR stably expressed in rat FRT cells assessed as increase in apical membrane chloride current incubated for 20 mins by patch-clamp assay
50019178	2	ChEMBL_2307579	Activation of human wild-type CFTR stably expressed in CHO-K1 cells co-expressing halide sensors YFP-H148Q/I152L assessed as CFTR-mediated iodide influx incubated for 10 mins by YFP fluorescence quenching assay
50019179	1	ChEMBL_2307700	Binding affinity to CM5 sensor chip immobilized human HSP90alpha assessed as dissociation constant by SPR analysis
50019180	1	ChEMBL_2307752	Inhibition of human recombinant N-terminal FLAG tagged PARP7 (400 to 657 end residues) incubated for 1 hr by ELISA assay
50019180	2	ChEMBL_2307753	Inhibition of human recombinant N-terminal GST-tagged PARP1 (2 to 1014 end residues) incubated for 1 hr by ELISA assay
50019180	3	ChEMBL_2307754	Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	4	ChEMBL_2307755	Inhibition of human recombinant N-terminal GST-tagged PARP5a (1001 to 1327 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	5	ChEMBL_2307756	Inhibition of human recombinant N-terminal GST-tagged PARP5b (667 to 1166 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	6	ChEMBL_2307757	Inhibition of human recombinant N-terminal FLAG-tagged PARP7 (400 to 657 end residues) incubated for 1 hr by ELISA assay
50019180	7	ChEMBL_2307758	Inhibition of human recombinant N-terminal FLAG-tagged / C-terminal Strep-tagged PARP10 (805 to 1025 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	8	ChEMBL_2307759	Inhibition of human recombinant N-terminal GST-tagged / C-terminal His-tagged PARP11 (8 to 338 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	9	ChEMBL_2307760	Inhibition of human recombinant N-terminal GST-tagged PARP12 (500 to 701 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019180	10	ChEMBL_2307761	Inhibition of human recombinant N-terminal 6his-tagged / GST-tagged PARP14 (1470 to 1801 end residues) expressed in baculovirus infected Sf9 cells expression system incubated for 1 hr by ELISA assay
50019182	1	ChEMBL_2307808	Binding affinity to human partial length BRDT BD2 (K250 to E382 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	2	ChEMBL_2307815	Binding affinity to human partial length BRDT BD1 (N21 to E137 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	3	ChEMBL_2307818	Binding affinity to human partial length BRD2 BD1 (K71 to N194 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	4	ChEMBL_2307819	Binding affinity to human partial length BRD2 BD2 (E348to D455 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	5	ChEMBL_2307820	Binding affinity to human partial length BRD3 BD1 (P24 to E144 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	6	ChEMBL_2307821	Binding affinity to human partial length BRD3 BD2 (G306 to P416 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	7	ChEMBL_2307822	Binding affinity to human partial length BRD4 BD1 (N44 to E168 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	8	ChEMBL_2307823	Binding affinity to human partial length BRD4 BD2 (K333 to E460 residues) expressed in bacterial expression system using H4K5acIC8acK12acK16ac-biotinylated peptide as substrate preincubated for 30 mins followed by substrate addition by AlphaScreen assay
50019182	9	ChEMBL_2307824	Binding affinity to 6His-tagged BRD3-BD1 (unknown origin) by MST assay
50019182	10	ChEMBL_2307825	Binding affinity to 6His-tagged BRD3-BD2 (unknown origin) by MST assay
50019182	11	ChEMBL_2307842	Inhibition of BRD3-BD1 (unknown origin) by fluorescence polarization assay
50019182	12	ChEMBL_2307843	Inhibition of BRD3-BD2 (unknown origin) by fluorescence polarization assay
50019182	13	ChEMBL_2307844	Inhibition of BRD4-BD1 (unknown origin) by fluorescence polarization assay
50019182	14	ChEMBL_2307845	Inhibition of BRD4-BD2 (unknown origin) by fluorescence polarization assay
50019183	1	ChEMBL_2307870	Inhibition of europium-labeled PD-1/biotinylated PD-L1 interaction (unknown origin) preincubated for 15 mins with PD-L1 followed by PD-1 addition and measured after 90 mins by TR-FRET assay
50019183	2	ChEMBL_2307871	Binding affinity to human PD-L1 assessed as dissociation constant by MST analysis
50019183	3	ChEMBL_2307873	Inhibition of PD-1 Fc IgG fusion protein binding to PD-L1 in human NCI-H460 cells incubated for 6 hrs by DAPI/PD-1 anti-human IgG DyLight 488 staining based fluorescence microscopy
50019184	1	ChEMBL_2307921	Binding affinity to recombinant human N-terminal GST tagged EED (1 to 441 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of EED interaction to H3K27me3 peptide incubated for 2 hrs in presence of biotinylated H3K27me3 peptide (19 to 33 residues) by HTRF assay
50019184	2	ChEMBL_2307924	Binding affinity to recombinant human N-terminal GST tagged EED (1 to 441 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by Biolayer interferometry assay
50019186	1	ChEMBL_2308007	Inhibition of MCT1 transport activity in human A549 cells using 3-BP as substrate assessed as reduction in intracellular 3-BP level by measuring increase in cell viability incubated for 72 hrs by MTT assay
50019186	2	ChEMBL_2308029	Inhibition of ABCB1 in human A2780 ADR cells incubated for 30 mins by calcein AM dye based fluorescence microplate reader analysis
50019186	3	ChEMBL_2308030	Inhibition of ABCB1 in human A2780 ADR cells incubated for 180 mins by daunorubicin based fluorescence flow cytometric analysis
50019186	4	ChEMBL_2308031	Inhibition of ABCC1 in human NCI-H69AR cells incubated for 180 mins by daunorubicin based fluorescence flow cytometric analysis
50019187	1	ChEMBL_2308057	Inhibition of alpha glucosidase (unknown origin) measured after 60 mins
50019187	2	ChEMBL_2308059	Inhibition of DPP-4 (unknown origin) incubated for 30 mins in presence of substrate by fluorescence based analysis
50019187	3	ChEMBL_2308060	Inhibition of human SGLT2 by liquid scintillation counter analysis
50019187	4	ChEMBL_2308069	Inhibition of voltage dependent L-type calcium channel in rat A7R5 cells
50019189	1	ChEMBL_2308188	Inhibition of PHGDH (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 mins
50019189	2	ChEMBL_2308199	Competitive inhibition of PHGDH (unknown origin) assessed as inhibition constant using NAD+ as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by Lineweaver-Burk plot analysis
50019189	3	ChEMBL_2308200	Competitive inhibition of PHGDH (unknown origin) assessed as inhibition constant using 3-PG as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by Lineweaver-Burk plot analysis
50019189	4	ChEMBL_2308216	Binding affinity to PHGDH (unknown origin) assessed as dissociation constant incubated for 60 mins by microscale thermophoresis analysis
50019189	5	ChEMBL_2308217	Binding affinity to his-tagged PHGDH (127 to 722 residues) (unknown origin) assessed as dissociation constant by SPR analysis
50019189	6	ChEMBL_2308218	Inhibition of wild type PHGDH (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 mins
50019189	7	ChEMBL_2308219	Inhibition of PHGDH D175A mutant (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 5 mins
50019190	1	ChEMBL_2308248	Inhibition of MMP2 (unknown origin)
50019190	2	ChEMBL_2308249	Inhibition of recombinant human MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by substrate addition and measured after 60 to 120 mins by fluorescence based assay
50019190	3	ChEMBL_2308250	Inhibition of human recombinant MMP12 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by substrate addition and measured after 60 to 120 mins by fluorescence based assay
50019190	4	ChEMBL_2308251	Inhibition of human recombinant MMP13 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 10 to 15 mins followed by substrate addition and measured after 60 to 120 mins by fluorescence based assay
50019190	5	ChEMBL_2308258	Inhibition of human recombinant MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	6	ChEMBL_2308259	Inhibition of human recombinant MMP2 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 5 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	7	ChEMBL_2308260	Inhibition of human recombinant MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	8	ChEMBL_2308261	Inhibition of human recombinant MMP3 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	9	ChEMBL_2308262	Inhibition of human recombinant MMP7 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	10	ChEMBL_2308263	Inhibition of human recombinant MMP8 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	11	ChEMBL_2308264	Inhibition of human recombinant MMP9 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	12	ChEMBL_2308265	Inhibition of human recombinant MMP12 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	13	ChEMBL_2308266	Inhibition of human recombinant MMP13 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019190	14	ChEMBL_2308267	Inhibition of human recombinant MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-N2 as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by fluorescence based assay
50019191	1	ChEMBL_2308287	Inhibition of recombinant NAMPT (unknown origin) incubated for 60 mins by SpectraMax microplate reader analysis
50019191	2	ChEMBL_2308288	Inhibition of human recombinant IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate preincubated for 30 mins followed by substrate addition and measured after 10 mins by SpectraMax microplate reader analysis
50019191	3	ChEMBL_2308289	Inhibition of human recombinant IDO1 in human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate preincubated for 24 hrs followed by substrate addition and measured after 30 mins
50019192	1	ChEMBL_2308330	Inhibition of Lp-PLA2 (unknown origin)
50019192	2	ChEMBL_2308332	Inhibition of SERT receptor (unknown origin)
50019194	1	ChEMBL_2308367	Inhibition of N-terminal MBP tagged/C-terminal PARP2 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	2	ChEMBL_2308368	Inhibition of N-terminal MBP tagged/C-terminal TNKS2 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	3	ChEMBL_2308369	Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	4	ChEMBL_2308370	Inhibition of N-terminal MBP tagged/C-terminal PARP15 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	5	ChEMBL_2308371	Inhibition of N-terminal MBP tagged/C-terminal PARP14 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	6	ChEMBL_2308373	Inhibition of N-terminal MBP tagged/C-terminal PARP7 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	7	ChEMBL_2308374	Inhibition of PARP7 (unknown origin) incubated for 30 mins by TR-FRET assay
50019194	8	ChEMBL_2308375	Inhibition of N-terminal 6 His-MBP tagged human PARP6 expressed in Sf21 cells incubated for 18 hrs in presence of NAD+
50019194	9	ChEMBL_2308376	Inhibition of N-terminal MBP tagged/C-terminal TNKS1 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	10	ChEMBL_2308377	Inhibition of N-terminal MBP tagged/C-terminal PARP4 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	11	ChEMBL_2308378	Inhibition of N-terminal MBP tagged/C-terminal PARP3 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	12	ChEMBL_2308379	Inhibition of N-terminal MBP tagged/C-terminal PARP1 (unknown origin) expressed in Escherichia coli in presence of NAD+
50019194	13	ChEMBL_2308382	Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	14	ChEMBL_2308383	Inhibition of N-terminal MBP tagged/C-terminal PARP11 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	15	ChEMBL_2308384	Inhibition of N-terminal MBP tagged/C-terminal PARP12 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	16	ChEMBL_2308385	Inhibition of N-terminal MBP tagged/C-terminal PARP14 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	17	ChEMBL_2308386	Inhibition of N-terminal MBP tagged/C-terminal PARP15 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	18	ChEMBL_2308387	Inhibition of N-terminal MBP tagged/C-terminal PARP16 (unknown origin) expressed in Escherichia coli in presence of NAD+ by proximity enhanced assay
50019194	19	ChEMBL_2308396	Inhibition of human PARP14 by TR-FRET assay
50019194	20	ChEMBL_2308397	Inhibition of PARP6 (unknown origin) using histone as substrate incubated for 30 mins by microplate reader based analysis
50019194	21	ChEMBL_2308398	Inhibition of human full length PARP11 expressed in Escherichia coli BL21 (DE3) competent cells
50019194	22	ChEMBL_2308400	Inhibition of PARP1 (unknown origin)
50019194	23	ChEMBL_2308401	Inhibition of PARP2 (unknown origin)
50019194	24	ChEMBL_2308402	Inhibition of TNKS1 (unknown origin)
50019194	25	ChEMBL_2308403	Inhibition of TNKS2 (unknown origin)
50019195	1	ChEMBL_2308450	Inhibition of 20s constitutive proteasome beta-5c (unknown origin)
50019195	2	ChEMBL_2308451	Inhibition of 20s immunoproteasome beta-5i subunit (unknown origin)
50019195	3	ChEMBL_2308452	Inhibition of human 20s immunoproteasome beta-1i subunit
50019195	4	ChEMBL_2308453	Inhibition of human 20s immunoproteasome beta-2i subunit
50019195	5	ChEMBL_2308454	Inhibition of human 20s constitutive proteasome beta-5c
50019195	6	ChEMBL_2308455	Inhibition of human 20s immunoproteasome beta-5i subunit
50019195	7	ChEMBL_2308456	Inhibition of human 20s constitutive proteasome beta-1c
50019195	8	ChEMBL_2308457	Inhibition of human 20s constitutive proteasome beta-2c subunit
50019197	1	ChEMBL_2308481	Competitive inhibition of human CRM1 assessed as dissociation constant incubated in presence of RanGTP and IAF-conjugated protein kinase inhibitor peptide by MST assay
50019198	1	ChEMBL_2308504	Inhibition of full-length recombinant human HDAC1 (1 to 482 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50019198	2	ChEMBL_2308505	Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay
50019198	3	ChEMBL_2308530	Inhibition of C-terminal GST-tagged full-length recombinant human HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50019198	4	ChEMBL_2308531	Inhibition of His-tagged recombinant human HDAC3 expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50019198	5	ChEMBL_2308532	Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based assay
50019198	6	ChEMBL_2308533	Inhibition of C-terminal His-tagged full-length recombinant human HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate incubated for 30 mins by fluorescence based assay
50019198	7	ChEMBL_2308534	Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50019198	8	ChEMBL_2308535	Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50019198	9	ChEMBL_2308536	Inhibition of recombinant BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50019199	1	ChEMBL_2308555	Antagonist activity at rat TRPA1 channel expressed in CHO-K1 cells tagged with GCaMP6 by measuring calcium flux measured after 10 mins by FLIPR tetra analysis
50019199	2	ChEMBL_2308557	Antagonist activity at human TRPA1 channel expressed in CHO-K1 cells tagged with GCaMP6 by measuring calcium flux measured after 10 mins by FLIPR tetra analysis
50019199	3	ChEMBL_2308560	Antagonist activity at human wildtype TRPA1 channel expressed in CHO-K1 cells tagged with GCaMP6 by measuring calcium flux measured after 24 hrs by FLIPR tetra analysis
50019200	1	ChEMBL_2308592	Inhibition of human PDE10A2 transfected in human AD293 cells cytosolic fraction using cAMP as substrate by fluorescence polarization assay
50019200	2	ChEMBL_2308606	Displacement of MK499 from hERG
50019200	3	ChEMBL_2308607	Activation of PXR (unknown origin) assessed as CYP3A4 induction
50019200	4	ChEMBL_2308608	Inhibition of CYP2C9 (unknown origin)
50019200	5	ChEMBL_2308609	Inhibition of CYP3A4 (unknown origin)
50019200	6	ChEMBL_2308613	Inhibition of human recombinant full length PDE10A
50019200	7	ChEMBL_2308632	Inhibition of Cav1.2 (unknown origin)
50019200	8	ChEMBL_2308633	Inhibition of Nav1.5 (unknown origin)
50019200	9	ChEMBL_2308634	Displacement of [125I]somatostatin from human full-length recombinant SSTR2 expressed in CHO-K1 cells by radioligand binding assay
50019202	1	ChEMBL_2308656	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	2	ChEMBL_2308657	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	3	ChEMBL_2308658	Inhibition of human CA4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	4	ChEMBL_2308659	Inhibition of human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	5	ChEMBL_2308660	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	6	ChEMBL_2308661	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019202	7	ChEMBL_2308662	Agonist activity at human TRPV1 expressed in SH-SY5Y cells measured for 25 mins in presence of capsaicin by fluorescence based microplate reader analysis
50019203	1	ChEMBL_2308687	Inhibition of FLAG tagged human beta-catenin/FLAG-tagged human BCL9 HD2 (343 to 396 residues) expressed in Escherichia coli BL21 protein-protein interaction assessed as inhibition constant by ELISA
50019203	2	ChEMBL_2308688	Inhibition of full-length recombinant beta-catenin (1 to 781 residues) (unknown origin)/N-terminal biotinylated BCL9-HD2 (unknown origin) protein-protein interaction assessed as inhibition constant incubated for 90 mins by AlphaScreen assay
50019203	3	ChEMBL_2308689	Inhibition of beta-catenin (unknown origin)/human BCL9 (350 to 375 residues) protein-protein interaction assessed as inhibition constant by AlphaScreen assay
50019203	4	ChEMBL_2308690	Inhibition of beta-catenin (unknown origin)/BCL9 (unknown origin) protein-protein interaction assessed as inhibition constant by AlphaScreen assay
50019203	5	ChEMBL_2308691	Inhibition of His6-tagged beta-catenin (unknown origin)/biotinylated BCL9 (unknown origin) protein-protein interaction assessed as inhibition constant incubated for 2 hrs by AlphaScreen assay
50019203	6	ChEMBL_2308692	Inhibition of N-terminal His6-tagged full-length recombinant beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli BL21 DE3/N-terminal FAM tagged BCL9 HD2(350 to 375 residues) (unknown origin) protein-protein interaction assessed as inhibition constant incubated for 3 hrs by competitive fluorescence polarization assay
50019203	7	ChEMBL_2308693	Inhibition of beta-catenin/BCL9 protein-protein interaction in Wnt-dependent human HCT-116 cells assessed as reduction in Axin2 expression level by qRT-PCR assay
50019203	8	ChEMBL_2308698	Binding affinity to full-length beta-catenin (1 to 781 residues) (unknown origin) assessed as dissociation constant by SPR assay
50019203	9	ChEMBL_2308699	Inhibition of beta-catenin transcriptional activity in human HCT-116 cells harbouring TCF/LEF luciferase reporter gene assessed as TCF/LEF reporter activity incubated for 24 hrs by dual-luciferase reporter assay
50019203	10	ChEMBL_2308702	Inhibition of beta-catenin/BCL9 protein-protein interaction in Wnt-dependent human SW480 cells assessed as reduction in Axin2 expression level by qRT-PCR assay
50019203	11	ChEMBL_2308703	Inhibition of beta-catenin/BCL9 protein-protein interaction in Wnt-independent human A549 cells assessed as reduction in Axin2 expression level by qRT-PCR assay
50019203	12	ChEMBL_2308704	Inhibition of beta-catenin/BCL9 protein-protein interaction in Wnt-independent human RKO cells assessed as reduction in Axin2 expression level by qRT-PCR assay
50019203	13	ChEMBL_2308705	Inhibition of beta-catenin/BCL9 protein-protein interaction in Wnt-independent human HEK293 cells assessed as reduction in Axin2 expression level by qRT-PCR assay
50019204	1	ChEMBL_2308795	Inhibition of human 20S constitutive proteasome beta-5c subunit
50019204	2	ChEMBL_2308796	Inhibition of human 20S immunoproteasome beta-5i subunit
50019206	1	ChEMBL_2308811	Inhibition of NTMT1 (unknown origin) by SAHH-coupled fluorescence assay
50019206	2	ChEMBL_2308812	Inhibition of NTM1 in human HCT-116 cells by Western blot analysis
50019206	3	ChEMBL_2308813	Inhibition of N-terminal 6-his tagged TEV fused full length human NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-Codonplus(DE3)-RIL cells using GPKRIA peptide as substrate preincubated with compound for 10 mins followed by substrate addition and measured immediately by SAHH-coupled fluorescence analysis
50019206	4	ChEMBL_2308816	Binding affinity to N-terminal 6-his tagged TEV fused full length human NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-Codonplus(DE3)-RIL cells assessed as dissociation constant by isothermal titration calorimetry
50019206	5	ChEMBL_2308820	Binding affinity to N-terminal 6-his tagged TEV fused full length human NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-Codonplus(DE3)-RIL cells assessed as dissociation constant in the presence of SAM by isothermal titration calorimetry
50019206	6	ChEMBL_2308872	Inhibition of NTMT1 in HEK293 cells assessed as reduction in me3-RCC1 level incubated for 3 days by Western blot analysis
50019206	7	ChEMBL_2308873	Inhibition of NTMT1 in HEK293 cells assessed as reduction in me3-SET level incubated for 3 days by Western blot analysis
50019208	1	ChEMBL_2308931	Inhibition of human topoisomerase II alpha
50019208	2	ChEMBL_2308932	Inhibition of Escherichia coli DNA gyrase
50019208	3	ChEMBL_2308933	Inhibition of Staphylococcus aureus DNA gyrase
50019208	4	ChEMBL_2308934	Inhibition of Staphylococcus aureus DNA gyrase incubated for 30 mins by fluorescence based assay
50019208	5	ChEMBL_2308935	Inhibition of Escherichia coli DNA gyrase incubated for 30 mins by fluorescence based assay
50019208	6	ChEMBL_2308941	Inhibition of Escherichia coli full length wildtype GyrB24 (residue 1 to 220) supercoiling in presence of pNO1 plasmid incubated for 30 mins by microplate reader assay
50019208	7	ChEMBL_2308956	Inhibition of Escherichia coli full length wildtype GyrB24 (residue 1 to 220) assessed as ATP-independent relaxation for 2 hrs in presence of pBR322 DNA by gel based assay
50019208	8	ChEMBL_2308973	Inhibition of CYP3A4 (unknown origin)
50019210	1	ChEMBL_2309035	Inhibition of recombinant human NSD2 (941 to 1240 residues) using SAM as substrate incubated for 3 hrs by AlphaLISA assay
50019210	2	ChEMBL_2309046	Inhibition of NSD1 (unknown origin)
50019210	3	ChEMBL_2309047	Inhibition of NSD3 (unknown origin)
50019210	4	ChEMBL_2309048	Inhibition of EZH2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 4 hrs by HTRF analysis
50019210	5	ChEMBL_2309049	Inhibition of PRMT1 (unknown origin) by AlphaLISA assay
50019210	6	ChEMBL_2309050	Inhibition of PRMT4 (unknown origin) by AlphaLISA assay
50019210	7	ChEMBL_2309051	Inhibition of PRMT5 (unknown origin) by AlphaLISA assay
50019210	8	ChEMBL_2309052	Inhibition of MLL1 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 4 hrs by HTRF analysis
50019210	9	ChEMBL_2309053	Inhibition of MLL2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 4 hrs by HTRF analysis
50019210	10	ChEMBL_2309100	Inhibition of human NSD2 (934 to 1241 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate incubated for 1 hr by TopCount radioactivity counter
50019210	11	ChEMBL_2309101	Inhibition of human MMSET (973 to 1203 residues) expressed in Escherichia coli BL21 (DE3) using S-adenosyl-methionine as substrate incubated for 60 mins by AlphaScreen assay
50019210	12	ChEMBL_2309102	Inhibition of human NSD2 SET domain (948 to 1239 residues)-mediated mono-methylation activity assessed as reduction in H3K36me1 level incubated for 1 hr
50019210	13	ChEMBL_2309103	Inhibition of human NSD2 SET domain-mediated H3K36 methylation using histone H3 as substrate by colorimetric analysis
50019210	14	ChEMBL_2309104	Inhibition of N-terminal polyhistidine tagged human recombinant NSD2 SET domain (934 to 1241 residues) expressed in Escherichia coli using SAM as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by MTase-Glo assay
50019210	15	ChEMBL_2309105	Inhibition of NSD2 PWWP1 domain (unknown origin)
50019210	16	ChEMBL_2309106	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR analysis
50019210	17	ChEMBL_2309107	Competitive inhibition of NSD2 (unknown origin) using SAM as substrate
50019215	1	ChEMBL_2309110	Inhibition of PIM3 (unknown origin) by (33P-ATP) filter-binding assay
50019215	2	ChEMBL_2309111	Inhibition of DAPK1 (unknown origin)
50019215	3	ChEMBL_2309112	Inhibition of DAPK1 (unknown origin) by (33P-ATP) filter-binding assay
50019215	4	ChEMBL_2309113	Binding affinity to DAPK1 (unknown origin) assessed as dissociation constant
50019215	5	ChEMBL_2309114	Binding affinity to DAPK2 (unknown origin) assessed as dissociation constant
50019215	6	ChEMBL_2309115	Binding affinity to DAPK3 (unknown origin) assessed as dissociation constant
50019215	7	ChEMBL_2309116	Inhibition of DAPK1 (unknown origin) in presence of 33P-ATP radiolabeled kinase assay
50019215	8	ChEMBL_2309117	Inhibition of DAPK1 (1 to 285 residues) (unknown origin) expressed in Escherichia coli using KKLNRTLSFAEPG as substrate in presence of ATP by fluoro-spark kinase assay
50019215	9	ChEMBL_2309118	Inhibition of human recombinant GST-fused DAPK3 (1 to 320 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using MYPT1 as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50019215	10	ChEMBL_2309119	Inhibition of human full length-His6 tagged PIM1 (1 to 312 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50019215	11	ChEMBL_2309120	Inhibition of human full length-His6 tagged PIM2 (1 to 311 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50019215	12	ChEMBL_2309121	Inhibition of human full length-His6 tagged PIM3 (1 to 326 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50019215	13	ChEMBL_2309122	Inhibition of recombinant GST-tagged DRAK2 (unknown origin) by promega ADP-Glo assay
50019215	14	ChEMBL_2309123	Inhibition of DRAK1 (unknown origin)
50019215	15	ChEMBL_2309124	Inhibition of DRAK2 (unknown origin)
50019215	16	ChEMBL_2309125	Binding affinity to DRAK2 (unknown origin) assessed as dissociation constant
50019215	17	ChEMBL_2309126	Inhibition of DAPK3 (unknown origin)
50019216	1	ChEMBL_2309127	Inhibition of JNK1 (unknown origin) using ULight-4E-BP1 peptide as substrate incubated for 90 mins in presence of ATP by Lance ultra assay
50019216	2	ChEMBL_2309128	Inhibition of JNK3 (unknown origin) using ULight-4E-BP1 peptide as substrate incubated for 90 mins in presence of ATP by Lance ultra assay
50019216	3	ChEMBL_2309168	Inhibition of JNK3 (unknown origin) by kinase profiling assay
50019216	4	ChEMBL_2309169	Inhibition of JNK2 (unknown origin) by kinase profiling assay
50019216	5	ChEMBL_2309170	Inhibition of JNK1 (unknown origin) by kinase profiling assay
50019216	6	ChEMBL_2309171	Inhibition of CDKL3 (unknown origin) by kinase profiling assay
50019216	7	ChEMBL_2309172	Inhibition of PKD3 (unknown origin) by kinase profiling assay
50019216	8	ChEMBL_2309173	Inhibition of FLT4 (unknown origin) by kinase profiling assay
50019216	9	ChEMBL_2309174	Inhibition of TNIK (unknown origin) by kinase profiling assay
50019216	10	ChEMBL_2309175	Inhibition of MKK4 (unknown origin) by kinase profiling assay
50019216	11	ChEMBL_2309176	Inhibition of MKK7 (unknown origin) by kinase profiling assay
50019216	12	ChEMBL_2309217	Inhibition of hERG potassium channel stably expressed in HEK293 cells by whole-cell manual patch-clamp assay
50019216	13	ChEMBL_2309244	Inhibition of JNK1 (unknown origin)
50019216	14	ChEMBL_2309245	Inhibition of JNK2 (unknown origin)
50019216	15	ChEMBL_2309246	Inhibition of JNK3 (unknown origin)
50019216	16	ChEMBL_2309247	Inhibition of JNK (unknown origin) assessed as inhibition constant
50019216	17	ChEMBL_2309248	Inhibition of human JNK1 using ATF2 as substrate in presence of ATP by HTRF assay
50019216	18	ChEMBL_2309249	Inhibition of human JNK2 using ATF2 as substrate in presence of ATP by HTRF assay
50019216	19	ChEMBL_2309250	Inhibition of human JNK3 using ATF2 as substrate in presence of ATP by HTRF assay
50019218	1	ChEMBL_2309263	Inhibition of JAK1 JH1 domain (unknown origin) using FITC-Ahx-KKSRGDYMTMQIG-NH2 peptide as substrate incubated for 60 mins in the presence of ATP by caliper microfluidic mobility shift technology
50019218	2	ChEMBL_2309264	Inhibition of JAK2 JH1 domain (unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 60 mins in the presence of ATP by caliper microfluidic mobility shift technology
50019218	3	ChEMBL_2309265	Inhibition of JAK3 JH1 domain (unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 60 mins in the presence of ATP by caliper microfluidic mobility shift technology
50019218	4	ChEMBL_2309266	Inhibition of TYK2 (unknown origin) by caliper technology
50019218	5	ChEMBL_2309267	Inhibition of JAK1/JAK3 in human M07E cells assessed as reduction of IL-15 stimulated STAT phosphorylation preincubated for 30 mins followed by IL-15 stimulation and measured after 15 mins by flow cytometry analysis
50019218	6	ChEMBL_2309268	Inhibition of JAK1/TYK2 in human M07E cells assessed as reduction of IFN alpha stimulated STAT phosphorylation preincubated for 30 mins followed by IFN alpha stimulation and measured after 15 mins by flow cytometry method
50019218	7	ChEMBL_2309269	Inhibition of JAK1/JAK3 in human blood assessed as reduction of IL-2 stimulated STAT phosphorylation preincubated for 30 mins followed by IL-2 stimulation and measured after 15 mins by flow cytometry method
50019218	8	ChEMBL_2309281	Inhibition of MAP4K4 (unknown origin) by caliper microfluidic mobility shift technology
50019218	9	ChEMBL_2309282	Inhibition of GSK3B (unknown origin) by caliper microfluidic mobility shift technology
50019221	1	ChEMBL_2309298	Inhibition of human recombinant HDAC2 expressed in baculovirus using AMC-K(Ac)GL as substrate by microplate reader analysis
50019221	2	ChEMBL_2309301	Inhibition of bacterial New Delhi metallo-beta-lactamase 1
50019221	3	ChEMBL_2309303	Inhibition of Clostridium difficile full length Toxin B
50019221	4	ChEMBL_2309304	Competitive inhibition of Escherichia coli TrxR assessed as inhibition constant
50019222	1	ChEMBL_2309318	Inhibition of rat alpha2/beta2 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	2	ChEMBL_2309319	Inhibition of rat alpha2/beta4 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	3	ChEMBL_2309320	Inhibition of rat alpha3/beta2 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	4	ChEMBL_2309321	Inhibition of rat alpha3/beta4 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	5	ChEMBL_2309322	Inhibition of rat alpha4/beta2 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	6	ChEMBL_2309323	Inhibition of rat alpha4/beta4 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	7	ChEMBL_2309324	Inhibition of rat alpha7 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	8	ChEMBL_2309325	Inhibition of rat alpha9/alpha10 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	9	ChEMBL_2309326	Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	10	ChEMBL_2309327	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	11	ChEMBL_2309328	Inhibition of mouse alpha1/beta1deltaepsilon nAChR expressed in Stage V-VI Xenopus laevis Oocytes assessed as inhibition of acetylcholine-induced current in presence of acetylcholine by electrophysiological recording
50019222	12	ChEMBL_2309362	Inhibition of rat alpha6/alpha3beta4 nAChR expressed in Xenopus Oocytes in presence of acetylcholine by Voltage-clamp recording
50019223	1	ChEMBL_2309414	Inhibition of wild type EZH2 (unknown origin) by AlphaLlSA assay
50019223	2	ChEMBL_2309463	Inhibition of EZH2 methyltransferase activity in human A2780 cells assessed as reduction in H3K27me3 level incubated for 3 days by Western blot analysis
50019224	1	ChEMBL_2309499	Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in human HEK293T cells assessed as inhibition constant by radioligand competition binding assay
50019224	2	ChEMBL_2309500	Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor transfected in human HEK293T cells assessed as inhibition constant by radioligand competition binding assay
50019224	3	ChEMBL_2309503	Binding affinity to dopamine D1 receptor (unknown origin) assessed as inhibition constant
50019224	4	ChEMBL_2309504	Binding affinity to dopamine D3 receptor (unknown origin) assessed as inhibition constant
50019224	5	ChEMBL_2309505	Binding affinity to dopamine D5 receptor (unknown origin) assessed as inhibition constant
50019224	6	ChEMBL_2309506	Binding affinity to M5 receptor (unknown origin) assessed as inhibition constant
50019224	7	ChEMBL_2309507	Binding affinity to M1 receptor (unknown origin) assessed as inhibition constant
50019224	8	ChEMBL_2309508	Binding affinity to M2 receptor (unknown origin) assessed as inhibition constant
50019224	9	ChEMBL_2309509	Binding affinity to M3 receptor (unknown origin) assessed as inhibition constant
50019224	10	ChEMBL_2309510	Binding affinity to M4 receptor (unknown origin) assessed as inhibition constant
50019224	11	ChEMBL_2309511	Binding affinity to histamine H2 receptor (unknown origin) assessed as inhibition constant
50019224	12	ChEMBL_2309512	Binding affinity to histamine H3 receptor (unknown origin) assessed as inhibition constant
50019224	13	ChEMBL_2309513	Binding affinity to 5-HT1A receptor (unknown origin) assessed as inhibition constant
50019224	14	ChEMBL_2309514	Binding affinity to 5-HT1B receptor (unknown origin) assessed as inhibition constant
50019224	15	ChEMBL_2309515	Binding affinity to 5-HT2B receptor (unknown origin) assessed as inhibition constant
50019224	16	ChEMBL_2309516	Binding affinity to 5-HT1D receptor (unknown origin) assessed as inhibition constant
50019224	17	ChEMBL_2309517	Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant
50019224	18	ChEMBL_2309518	Binding affinity to 5-HT5A receptor (unknown origin) assessed as inhibition constant
50019224	19	ChEMBL_2309519	Binding affinity to 5-HT2C receptor (unknown origin) assessed as inhibition constant
50019224	20	ChEMBL_2309520	Binding affinity to alpha2A receptor (unknown origin) assessed as inhibition constant
50019224	21	ChEMBL_2309521	Binding affinity to alpha2B receptor (unknown origin) assessed as inhibition constant
50019224	22	ChEMBL_2309522	Binding affinity to alpha2C receptor (unknown origin) assessed as inhibition constant
50019224	23	ChEMBL_2309523	Binding affinity to KOR receptor (unknown origin) assessed as inhibition constant
50019224	24	ChEMBL_2309524	Binding affinity to beta1 receptor (unknown origin) assessed as inhibition constant
50019225	1	ChEMBL_2309665	Inhibition of ALK (unknown origin)
50019227	1	ChEMBL_2309714	Inhibition of wild-type HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation
50019227	2	ChEMBL_2309722	Inhibition of CYP1A2 (unknown origin)
50019227	3	ChEMBL_2309723	Inhibition of CYP2C9 (unknown origin)
50019227	4	ChEMBL_2309724	Inhibition of CYP2C19 (unknown origin)
50019227	5	ChEMBL_2309725	Inhibition of CYP2D6 (unknown origin)
50019227	6	ChEMBL_2309726	Inhibition of CYP3A4 (unknown origin) using midazolam as substrate
50019228	1	ChEMBL_2309745	Inhibition of human factor Xa using S-2765 as substrate preincubated with antithrombin for 3 mins followed by incubation with factor Xa for 2 mins and further incubated with substrate for 5 mins by absorbance based assay
50019229	1	ChEMBL_2309821	Inhibition of RIPK2 (unknown origin) incubated for 30 mins in presence of [gamma33P]ATP by microplate reader analysis
50019229	2	ChEMBL_2309823	Inhibition of recombinant C-terminal 6His-tagged human BMPR2 (188 to 517 residues) expressed in Escherichia coli Rosetta assessed as apparent inhibition constant using ATP as substrate incubated for 30 mins by Morrison plot analysis
50019229	3	ChEMBL_2309825	Inhibition of recombinant C-terminal 6His-tagged human BMPR2 (188 to 517 residues) expressed in Escherichia coli Rosetta by LanthaScreen TR-FRET assay
50019229	4	ChEMBL_2309826	Inhibition of ACVRL1 (unknown origin) by LanthaScreen TR-FRET assay
50019229	5	ChEMBL_2309827	Inhibition of ACVR1 (unknown origin) by LanthaScreen TR-FRET assay
50019229	6	ChEMBL_2309828	Inhibition of BMPR1A (unknown origin) by LanthaScreen TR-FRET assay
50019229	7	ChEMBL_2309829	Inhibition of ACVR1B (unknown origin) by Z'-LYTE assay
50019229	8	ChEMBL_2309830	Inhibition of TGFBR1 (unknown origin) by LanthaScreen TR-FRET assay
50019229	9	ChEMBL_2309831	Inhibition of BMPR1B (unknown origin) by LanthaScreen TR-FRET assay
50019229	10	ChEMBL_2309832	Inhibition of TGFBR2 (unknown origin) by LanthaScreen TR-FRET assay
50019229	11	ChEMBL_2309833	Inhibition of ACVR2A (unknown origin) by LanthaScreen TR-FRET assay
50019229	12	ChEMBL_2309834	Inhibition of ACVR2B (unknown origin) by LanthaScreen TR-FRET assay
50019230	1	ChEMBL_2309897	Binding affinity to recombinant RIPK1 (unknown origin) assessed as dissociation constant by kinomescan assay
50019232	1	ChEMBL_2309936	Inhibition of recombinant human carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl acetate as substrate preincubated for 10 mins followed by substrate addition
50019233	1	ChEMBL_2309971	Inhibition of N-terminal His tagged recombinant human PTP1B expressed in Escherichia coli using pNPP as substrate assessed as substrate hydrolysis
50019233	2	ChEMBL_2309972	Inhibition of recombinant human TC-PTP (1 to 314 residues) expressed in baculovirus infected insect cells using pNPP as substrate assessed as substrate hydrolysis
50019234	1	ChEMBL_2310001	Inhibition of human GluN2B receptor by FLIPR assay
50019234	2	ChEMBL_2310002	Inhibition of human GluN2A receptor by FLIPR assay
50019234	3	ChEMBL_2310003	Inhibition of human GluN2C receptor by FLIPR assay
50019234	4	ChEMBL_2310004	Inhibition of human GluN2D receptor by FLIPR assay
50019234	5	ChEMBL_2310005	Binding affinity to rat GluN2B receptor by FLIPR assay
50019234	6	ChEMBL_2310006	Inhibition of human ERG
50019234	7	ChEMBL_2310010	Negative allosteric modulation of human GluN1A/GluN2B receptor expressed in T-REX-CHO cells preincubated for 5 mins followed by glutamate and glycine addition and measured after 5 mins by FLIPR assay
50019234	8	ChEMBL_2310011	Displacement of 3-(3H) 1-(azetidin-1-yl)-2-(6- (4-fluoro-3-methyl-phenyl)pyrrolo-(3,2-6) pyridin-1yl)ethanone from GluN2B receptor in rat cortical membrane assessed as inhibition constant incubated for 2 hrs under shaking condition by liquid scintillator counter analysis
50019234	9	ChEMBL_2310012	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells
50019234	10	ChEMBL_2310014	Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019234	11	ChEMBL_2310015	Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019234	12	ChEMBL_2310016	Inhibition of CYP2C8 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019234	13	ChEMBL_2310017	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019234	14	ChEMBL_2310018	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019234	15	ChEMBL_2310019	Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins by LC-MS/MS analysis
50019235	1	ChEMBL_2310063	Inhibition of C-terminal recombinant SARS-CoV-2 main protease using ALNDFSNSGSDVLYQPPQTSITSAVLQ/SGFRKMAFPS-NH2 and AcSGFRXMAFPS-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured for 30 mins by SPE-MS analysis
50019237	1	ChEMBL_2310083	Inhibition of wild-type LRRK2 (unknown origin) by adapta assay
50019237	2	ChEMBL_2310084	Inhibition of LRRK2 G2019S mutant (unknown origin) by adapta assay
50019238	1	ChEMBL_2310091	Inhibition of EZH2 (unknown origin) by radiometric assay
50019238	2	ChEMBL_2310092	Inhibition of BRD4 (unknown origin) by HTRF analysis
50019238	3	ChEMBL_2310093	Inhibition of EZH1 (unknown origin) by radiometric assay
50019238	4	ChEMBL_2310094	Inhibition of BRD2-BD1/2 (unknown origin) by HTRF analysis
50019238	5	ChEMBL_2310095	Inhibition of BRD3-BD1/2 (unknown origin) by HTRF analysis
50019238	6	ChEMBL_2310096	Inhibition of BRDT-BD1 (unknown origin) by HTRF analysis
50019239	1	ChEMBL_2310185	Binding affinity to human CYP1A1 assessed as inhibition of conversion of 7-ethoicyresorufin into fluorescent resorufin by measuring inhibition constant preincubated for 5 mins followed by NADH addition measured every minute for 15 mins by EROD assay
50019240	1	ChEMBL_2310277	Antagonist activity at human MC4R in CHO cells measured for 24 hrs
50019240	2	ChEMBL_2310279	Antagonist activity at human MC4R in CHO cells measured for 24 hrs in presence of alpha-MSH
50019240	3	ChEMBL_2310280	Antagonist activity at human MC4R expressed in CHO cells assessed as decrease in alpha-MSH induced cAMP level incubated for 1 hr by microplate reader analysis
50019240	4	ChEMBL_2310284	Inhibition of hERG expressed in CHO cells stably at -80 mV holding potential by automated patch clamp method
50019240	5	ChEMBL_2310288	Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO cells measured for 2 hrs by microbeta counter analysis
50019240	6	ChEMBL_2310292	Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO cells by microbeta counter analysis
50019240	7	ChEMBL_2310293	Displacement of [125I]-NDP-alpha-MSH from rat MC4R expressed in CHO cells by microbeta counter analysis
50019240	8	ChEMBL_2310295	Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO cells measured for 2 hrs by microbeta counter analysis
50019240	9	ChEMBL_2310296	Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO cells measured for 2 hrs by microbeta counter analysis
50019240	10	ChEMBL_2310332	Inhibition of human PDE1B1
50019240	11	ChEMBL_2310333	Inhibition of human PDE2A1
50019240	12	ChEMBL_2310334	Inhibition of human PDE3A
50019240	13	ChEMBL_2310335	Inhibition of human PDE4D3
50019240	14	ChEMBL_2310336	Inhibition of human PDE5A1
50019240	15	ChEMBL_2310337	Inhibition of human PDE6
50019240	16	ChEMBL_2310338	Inhibition of human PDE7B
50019240	17	ChEMBL_2310339	Inhibition of human PDE8B
50019240	18	ChEMBL_2310340	Inhibition of human PDE9A1
50019240	19	ChEMBL_2310341	Inhibition of human PDE10A1
50019240	20	ChEMBL_2310342	Inhibition of human PDE11A4
50019240	21	ChEMBL_2310343	Inhibition of recombinant human Nav1.5 expressed in CHO cells by whole cell voltage clamp electrophysiology recording
50019240	22	ChEMBL_2310344	Inhibition of Cav1.2 (unknown origin)
50019242	1	ChEMBL_2310345	Agonist activity at human MC1R stably expressed in human Flp-In-293 cells assessed as cAMP accumulation incubated for 45 mins in presence of IBMX by Lance Ultra cAMP assay
50019242	2	ChEMBL_2310349	Agonist activity at human MC4R stably expressed in human Flp-In-293 cells assessed as cAMP accumulation incubated for 45 mins in presence of IBMX by Lance Ultra cAMP assay
50019242	3	ChEMBL_2310354	Displacement of sCy5-MT-I from human MC4R stably expressed in human HEK293 cells incubated for 2 hrs by Cheng-Prusoff equation based FACS analysis
50019243	1	ChEMBL_2310357	Agonist activity at human STING in human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay
50019243	2	ChEMBL_2310359	Agonist activity at human 6His-tagged recombinant wild type STING CTD (139 to 37 residues) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET assay
50019243	3	ChEMBL_2310360	Agonist activity at human 6His-tagged recombinant STING R232H mutant CTD (139 to 37 residues) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET assay
50019243	4	ChEMBL_2310361	Agonist activity at human 6His-tagged recombinant STING G230A/R293Q double mutant CTD (139 to 37 residues) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET assay
50019243	5	ChEMBL_2310362	Agonist activity at human 6His-tagged recombinant STING R293Q mutant CTD (139 to 37 residues) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET assay
50019243	6	ChEMBL_2310366	Agonist activity at mouse 6His-tagged recombinant STING CTD (144 to 378 residues) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET assay
50019243	7	ChEMBL_2310368	Agonist activity at mouse STING in mouse RAW-Lucia ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay
50019243	8	ChEMBL_2310369	Agonist activity at human STING in STING knockout human THP1-Blue ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay
50019243	9	ChEMBL_2310370	Agonist activity at mouse STING in STING knockout mouse RAW-Lucia ISG cells incubated for 24 hrs in presence of PMA by luciferase reporter assay
50019244	1	ChEMBL_2310457	Inhibition of wild type EGFR (unknown origin) preincubated for 5 mins followed by substrate and ATP addition and further incubated for 30 mins by HTRF assay
50019244	2	ChEMBL_2310458	Inhibition of EGFR T790M mutant (unknown origin) preincubated for 5 mins followed by substrate and ATP addition and further incubated for 30 mins by HTRF assay
50019245	1	ChEMBL_2310467	Inhibition of human ERG
50019246	1	ChEMBL_2310515	Inhibition of Leishmania donovani Top1 assessed as relaxation of supercoiled pBluescript SK(+) DNA measured by agarose gel electrophoresis analysis
50019246	2	ChEMBL_2310516	Inhibition of recombinant Top1 in Leishmania donovani Ag83 whole cell extract assessed as relaxation of supercoiled pBluescript SK(+) DNA measured by agarose gel electrophoresis analysis
50019246	3	ChEMBL_2310567	Inhibition of recombinant Top1 in Antimony resistant Leishmania donovani BHU575 whole cell extract assessed as relaxation of supercoiled pBluescript SK(+) DNA measured by agarose gel electrophoresis analysis
50019247	1	ChEMBL_2310613	Inhibition of His-tagged human recombinant JNK1 expressed in insect cells incubated for 1 hr in presence of ATP by Z'-Lyte assay
50019247	2	ChEMBL_2310614	Inhibition of His-tagged human recombinant JNK2 expressed in baculovirus expression system incubated for 1 hr in presence of ATP by Z'-Lyte assay
50019247	3	ChEMBL_2310626	Inhibition of GST-tagged human recombinant JNK3 expressed in insect cells incubated for 1 hr in presence of ATP by Z'-lyte assay
50019247	4	ChEMBL_2310630	Binding affinity to wild type partial length human PIKFYVE (F1512 to C2098 residues) expressed in mammalian expression system by KdELECT kinase assay
50019247	5	ChEMBL_2310631	Inhibition of Nano-Luc fused PIKFYVE (unknown origin) expressed in HEK293T cells pretreated for 3 hrs followed by K8-tarcer addition and measured after 1 hr by NanoBRET assay
50019247	6	ChEMBL_2310639	Inhibition of Nano-Luc fused JNK1 (unknown origin) expressed in HEK293T cells pretreated for 3 hrs followed by K5-tarcer addition and measured after 1 hr by NanoBRET assay
50019247	7	ChEMBL_2310640	Inhibition of Nano-Luc fused JNK2 (unknown origin) expressed in HEK293T cells pretreated for 3 hrs followed by K5-tarcer addition and measured after 1 hr by NanoBRET assay
50019247	8	ChEMBL_2310659	Inhibition of GST-tagged human recombinant p38alpha expressed in Escherichia coli by Lanthascreen Binding assay
50019248	1	ChEMBL_2310709	Binding affinity to PIKFYVE (unknown origin) assessed as dissociation constant
50019248	2	ChEMBL_2310710	Binding affinity to SARS-CoV-1 MPro assessed as inhibition constant
50019248	3	ChEMBL_2310714	Inhibition of SARS-CoV-1 MPro
50019248	4	ChEMBL_2310715	Inhibition of SARS-CoV-2 MPro
50019248	5	ChEMBL_2310719	Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant
50019248	6	ChEMBL_2310738	Inhibition of recombinant human CTSL-mediated substrate cleavage
50019248	7	ChEMBL_2310739	Inhibition of recombinant cathepsin L (unknown origin)
50019248	8	ChEMBL_2310741	Inhibition of recombinant PIKFYVE (unknown origin)
50019248	9	ChEMBL_2310748	Inhibition of SARS-CoV-1 RdRp-mediated viral replication
50019248	10	ChEMBL_2310750	Inhibition of SARS-CoV 3CLpro
50019249	1	ChEMBL_2310811	Inhibition of human cathepsin B using Z-RR-AMC as substrate assessed as inhibition constant preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by fluorescence based microplate reader analysis
50019249	2	ChEMBL_2310813	Competitive inhibition of human cathepsin B using Z-RR-AMC as substrate assessed as inhibition constant preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by Cheng-Prusoff equation analysis
50019249	3	ChEMBL_2310814	Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate measured at 20 mins by fluorescence based assay
50019249	4	ChEMBL_2310818	Inhibition of human cathepsin S using Z-VVR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by fluorescence based microplate reader analysis
50019249	5	ChEMBL_2310819	Inhibition of human cathepsin L using Z-FR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by fluorescence based microplate reader analysis
50019249	6	ChEMBL_2310820	Inhibition of human cathepsin K using Z-LR-AMC as substrate preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by fluorescence based microplate reader analysis
50019249	7	ChEMBL_2310826	Reversible inhibition of human cathepsin B using Z-RR-AMC as substrate assessed as inhibition constant preincubated for 20 mins followed by pre-activated enzyme addition and measured after 15 mins by fluorescence based microplate reader analysis
50019249	8	ChEMBL_2310840	Inhibition of cathepsin B in live human U-251MG cells using e Abz-GIVRAK(Dnp)-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence based analysis
50019250	1	ChEMBL_2310871	Inhibition of CYP3A4 (unknown origin)
50019250	2	ChEMBL_2310872	Inhibition of CYP2D6 (unknown origin)
50019250	3	ChEMBL_2310877	Inhibition of hERG stably expressed in CHO cells by whole-cell voltage-clamp assay
50019250	4	ChEMBL_2310997	Inhibition of CYP2C9 (unknown origin)
50019250	5	ChEMBL_2310998	Inhibition of CYP2C19 (unknown origin)
50019250	6	ChEMBL_2310999	Inhibition of CYP1A2 (unknown origin)
50019251	1	ChEMBL_2311002	Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate assessed as inhibition constant
50019251	2	ChEMBL_2311003	Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate assessed as inhibition constant
50019251	3	ChEMBL_2311004	Binding affinity to human OSBP
50019251	4	ChEMBL_2311005	Binding affinity to human ORP4
50019251	5	ChEMBL_2311006	Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assay
50019251	6	ChEMBL_2311007	Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate assessed as inhibition constant by competitive binding assay
50019252	1	ChEMBL_2311057	Inhibition of yeast alpha-glucosidase
50019252	2	ChEMBL_2311058	Inhibition of human lysosomal alpha-glucosidase
50019252	3	ChEMBL_2311061	Inhibition of coffee bean alpha-galactosidase
50019253	1	ChEMBL_2311172	Inhibition of SARS CoV-2 main protease preincubated for 30 min followed by substrate addition and measured after 60 mins by fluorescence assay
50019254	1	ChEMBL_2311201	Inhibition of ACL (unknown origin) incubated for 30 mins in presence of ATP by luminescence based ADP-Glo kinase assay
50019255	1	ChEMBL_2311203	Antagonist activity at human EP4 receptor overexpressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP formation preincubated for 15 mins followed by PGE addition and measured after 30 mins by Eu-cAMP tracer based assay
50019255	2	ChEMBL_2311204	Antagonist activity at EP1 receptor (unknown origin)
50019255	3	ChEMBL_2311205	Antagonist activity at EP2 receptor (unknown origin)
50019255	4	ChEMBL_2311206	Antagonist activity at EP3 receptor (unknown origin)
50019255	5	ChEMBL_2311207	Displacement of [3H]-PGE2 from human EP4 receptor membrane measured after 2 hrs by Microscint-O scintillation counting analysis
50019255	6	ChEMBL_2311208	Displacement of [3H]-PGE2 from EP3 receptor membrane (unknown origin) measured after 2 hrs by Microscint-O scintillation counting analysis
50019255	7	ChEMBL_2311209	Displacement of [3H]-PGE2 from EP2 receptor membrane (unknown origin) measured after 2 hrs by Microscint-O scintillation counting analysis
50019255	8	ChEMBL_2311210	Displacement of [3H]-PGE2 from EP1 receptor membrane (unknown origin) measured after 2 hrs by Microscint-O scintillation counting analysis
50019255	9	ChEMBL_2311249	Inhibition of hERG
50019255	10	ChEMBL_2311250	Antagonist activity at EP4 receptor (unknown origin)
50019256	1	ChEMBL_2311251	Antagonist activity at human PAFR expressed in HEK293 cells assessed as inhibition of PAF C-16 ligand induced receptor activation preincubated for 90 mins followed by PAF ligand addition and measured after 60 mins by HTRF IP1 assay
50019258	1	ChEMBL_2311252	Agonist activity at human GLP-1R expressed in CHO-K1 cells assessed as increase in cAMP accumulation by HTRF method
50019259	1	ChEMBL_2311253	Inhibition of human MDM4 (1 to 116 residues) incubated for 1 hrs by fluorescence polarization assay
50019259	2	ChEMBL_2311254	Inhibition of human MDM2 incubated for 1 hrs by TR-FRET assay
50019259	3	ChEMBL_2311255	Displacement of FAM labeled p53 fragment from human MDM2 (1 to 116 residues) incubated for 1 hrs by fluorescence polarization assay
50019260	1	ChEMBL_2311262	Inhibition of recombinant IL4I1 (unknown origin) assessed as reduction in H2O2 production preincubated for 4 hrs followed by Phe/Tyr/Trp addition measured after 120 mins by fluorescence based analysis
50019261	1	ChEMBL_2311265	Inhibition of ATM (unknown origin) using GST-cMyc-p53 as substrate incubated for 30 mins in presence of Mg/ATP mix by HTRF-based analysis
50019261	2	ChEMBL_2311266	Inhibition of human PI3K p110 alpha/p85 alpha using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019261	3	ChEMBL_2311267	Inhibition of mTOR (unknown origin) incubated for 40 mins in the presence of Mn/ATP mix by scintillation counting analysis
50019261	4	ChEMBL_2311268	Inhibition of DNA-PK (unknown origin) using GST-cMyc-p53 as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019261	5	ChEMBL_2311269	Inhibition of ATR (unknown origin) using GST-cMyc-p53 as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019261	6	ChEMBL_2311270	Inhibition of human PI3K p110 beta/p85 alpha using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019261	7	ChEMBL_2311271	Inhibition of human PI3K p120 gamma using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019261	8	ChEMBL_2311272	Inhibition of human PI3K p110 delta/p85 alpha using phosphatidylinositol-4, 5-bisphosphate as substrate incubated for 30 mins in the presence of Mg/ATP mix by HTRF-based analysis
50019263	1	ChEMBL_2311396	Inhibition of HspA5 (unknown origin)-dependent IRE1 monomer assessed as increase in IRE1 level measured for 1 hr in presence of ATP/J domain of ERdj4 by FRET assay
50019263	2	ChEMBL_2311399	Inhibition of FAM-labeled NRLLLTG binding from HspA5 (unknown origin) in presence of ATP by FP assay
50019263	3	ChEMBL_2311406	Inhibition of human HspA1A by FP assay
50019263	4	ChEMBL_2311407	Inhibition of human HspA6 by FP assay
50019263	5	ChEMBL_2311408	Inhibition of human HspA8 by FP assay
50019263	6	ChEMBL_2311414	Inhibition of HspA1A (unknown origin) by FP assay
50019263	7	ChEMBL_2311415	Inhibition of HspA2 (unknown origin) by FP assay
50019263	8	ChEMBL_2311416	Inhibition of HspA5 (unknown origin) by FP assay
50019263	9	ChEMBL_2311417	Inhibition of HspA6 (unknown origin) by FP assay
50019263	10	ChEMBL_2311418	Inhibition of HspA8 (unknown origin) by FP assay
50019263	11	ChEMBL_2311419	Inhibition of HspA9 (unknown origin) by FP assay
50019263	12	ChEMBL_2311420	Binding affinity to HspA1A (unknown origin) assessed as dissociation constant by FP assay
50019263	13	ChEMBL_2311421	Binding affinity to HspA1L (unknown origin) assessed as dissociation constant by FP assay
50019263	14	ChEMBL_2311422	Binding affinity to HspA2 (unknown origin) assessed as dissociation constant by FP assay
50019263	15	ChEMBL_2311423	Binding affinity to HspA5 (unknown origin) assessed as dissociation constant by FP assay
50019263	16	ChEMBL_2311424	Binding affinity to HspA6 (unknown origin) assessed as dissociation constant by FP assay
50019263	17	ChEMBL_2311425	Binding affinity to HspA8 (unknown origin) assessed as dissociation constant by FP assay
50019263	18	ChEMBL_2311426	Binding affinity to HspA9 (unknown origin) assessed as dissociation constant by FP assay
50019265	1	ChEMBL_2311427	Inhibition of N-terminal NanoLuc-tagged full length FAK (unknown origin) transfected in HEK293T cells pre-incubated with compound for 2 hrs followed by Nano-Glo substrate addition by NanoBRET analysis
50019265	2	ChEMBL_2311429	Inhibition of human SRPK1 using GRSRSRSRSR as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase assay
50019265	3	ChEMBL_2311430	Inhibition of human SRPK2 using GRSRSRSRSR as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase assay
50019265	4	ChEMBL_2311439	Inhibition of C-terminal nLuc-fused SRPK1 (unknown origin) transfected in intact HEK293T cells by NanoBRET assay
50019265	5	ChEMBL_2311440	Inhibition of N-terminal nLuc-fused SRPK3 (unknown origin) transfected in intact HEK293T cells by NanoBRET assay
50019265	6	ChEMBL_2311441	Inhibition of N-terminal nLuc-fused SRPK2 (unknown origin) transfected in lysed HEK293T cells by NanoBRET assay
50019265	7	ChEMBL_2311442	Binding affinity to SRPK1 (unknown origin) assessed as dissociation constant by ITC assay
50019265	8	ChEMBL_2311443	Inhibition of C-terminal nLuc-fused SRPK1 (unknown origin) transfected in lysed HEK293T cells by NanoBRET assay
50019265	9	ChEMBL_2311444	Inhibition of N-terminal nLuc-fused SRPK3 (unknown origin) transfected in lysed HEK293T cells by NanoBRET assay
50019265	10	ChEMBL_2311456	Inhibition of human SRPK3 using GRSRSRSRSR as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	11	ChEMBL_2311457	Inhibition of human CLK1 using myelin basic protein as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	12	ChEMBL_2311458	Inhibition of human CLK2 using myelin basic protein as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	13	ChEMBL_2311459	Inhibition of human CLK3 using myelin basic protein as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	14	ChEMBL_2311460	Inhibition of human CLK4 using myelin basic protein as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	15	ChEMBL_2311461	Inhibition of human DYRK1A using RRRFRPASPLRGPPK as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	16	ChEMBL_2311462	Inhibition of human DYRK1B using RRRFRPASPLRGPPK as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	17	ChEMBL_2311463	Inhibition of human DYRK2 using RRRFRPASPLRGPPK as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019265	18	ChEMBL_2311464	Inhibition of human DYRK3 using RRRFRPASPLRGPPK as substrate in presence of [gamma-33p]-ATP by radiometric hotspot kinase
50019266	1	ChEMBL_2311471	Displacement of [3H]DPCPX from human A2AAR expressed in human HeLa cell membrane assessed as inhibition constant incubated for 30 mins by competitive binding assay
50019266	2	ChEMBL_2311473	Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by competitive binding assay
50019266	3	ChEMBL_2311474	Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 30 mins by competitive binding assay
50019266	4	ChEMBL_2311476	Displacement of [3H]NECA from human A3AR expressed in human HeLa cell membrane assessed as inhibition constant incubated for 180 mins by competitive binding assay
50019266	5	ChEMBL_2311478	Agonist activity at human A2BAR expressed in HEK293T cells assessed as increase in cAMP accumulation incubated for 30 mins by TR-FRET assay
50019266	6	ChEMBL_2311484	Inhibition of CYP3A4 (unknown origin) using DBF as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assay
50019266	7	ChEMBL_2311486	Inhibition of CYP3A4 (unknown origin) using 7-BFC as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assay
50019267	1	ChEMBL_2311492	Inhibition of NAMPT (unknown origin) using PRPP as substrates incubated in presence of ATP by fluorimetric plate reader analysis
50019267	2	ChEMBL_2311493	Inhibition of NAMPT in human A2780 cells measured at 6 hrs
50019267	3	ChEMBL_2311494	Inhibition of NAMPT in human A2780 cells measured at 24 hrs
50019267	4	ChEMBL_2311495	Inhibition of NAMPT in human A2780 cells measured at 48 hrs
50019269	1	ChEMBL_2311522	Inhibition of PNP (unknown origin) by fluorescent based microplate reader analysis
50019270	1	ChEMBL_2311535	Inhibition of HPK1 (unknown origin) incubated for 15 mins by ADP-Glo kinase assay
50019270	2	ChEMBL_2311536	Inhibition of HPK1 in human Jurkat E6.1 cells assessed as phosphorylation of SLP76 at serine 376 residue incubated for 4 hrs by HTRF assay
50019270	3	ChEMBL_2311537	Inhibition of N-terminal DYKDDDDK tagged HPK1 CD (1 to 346 residues) (unknown origin) incubated for 1 hr in presence of ATP by TR-FRET assay
50019270	4	ChEMBL_2311538	Inhibition of HPK1 in human PBMC cells assessed as reduction in SLP76 phosphorylation at Ser376 residue preincubated with compound for 1 hr followed by stimulation with CD3/CD28-dynabead by ELISA assay
50019270	5	ChEMBL_2311539	Inhibition of HPK1 in human PBMC cells assessed as increase in IL-2 release preincubated with compound for 1 hr followed by stimulation with CD3/CD28-dynabead measured after 16 to 18 hrs by ELISA assay
50019270	6	ChEMBL_2311540	Inhibition of HPK1 (unknown origin) using myelin basic protein as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50019270	7	ChEMBL_2311543	Inhibition of HPK1 in human Jurkat E6.1 cells assessed as reduction in SLP76 phosphorylation at Serine 376 residue preincubated with compound for 2 hrs followed by stimulation with alphaCD3/CD28 measured after 10 mins by Western blotting analysis
50019272	1	ChEMBL_2311600	PROTAC activity at CRBN/EML4-ALK in human NCI-H3122 cells assessed as reduction in EML4-ALK fusion protein level incubated for 24 hrs by Western blot analysis
50019274	1	ChEMBL_2311714	Displacement of Alexa fluor 647-labeled kinase tracer 314 from recombinant N-terminal (His)6-tagged p110alpha (unknown origin) assessed as inhibition constant by TR-FRET based Lanthascreen kinase activity assay
50019274	2	ChEMBL_2311715	Displacement of Alexa fluor 647-labeled kinase tracer 314 from N-terminal GST-fused truncated recombinant human mTOR (1360 to 2549 residues) assessed as inhibition constant by TR-FRET based Lanthascreen kinase activity assay
50019274	3	ChEMBL_2311717	Binding affinity to DNA-tagged mTOR (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	4	ChEMBL_2311718	Binding affinity to DNA-tagged P13kalpha (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	5	ChEMBL_2311719	Binding affinity to DNA-tagged P13kbeta (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	6	ChEMBL_2311720	Binding affinity to DNA-tagged P13kdelta (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	7	ChEMBL_2311721	Binding affinity to DNA-tagged P13kgamma (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	8	ChEMBL_2311722	Binding affinity to DNA-tagged P14kbeta (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019274	9	ChEMBL_2311723	Binding affinity to DNA-tagged VPS34 (unknown origin) assessed as dissociation constant by quantitative PCR analysis
50019275	1	ChEMBL_2311750	Inhibition of GSK3beta (unknown origin) activity assessed as fluorescence intensity by ADP-Glo Kinase Assay
50019275	2	ChEMBL_2311751	Inhibition of human glutaminyl cyclase activity assessed as fluorescence using H-Gln-AMC substrate
50019276	1	ChEMBL_2311772	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTITN-5B1-4 insect cells using p-tyramine as substrate incubated for 10 mins followed by substrate addition measured after 15 mins by Amplex Red assay
50019276	2	ChEMBL_2311775	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTITN-5B1-4 insect cells using p-tyramine as substrate incubated for 10 mins followed by substrate addition measured after 15 mins by Amplex Red assay
50019277	1	ChEMBL_2311795	Inhibition of HIV-1 reverse transcriptase using [2,8-3H]dGTP as substrate by fluorescence based assay
50019278	1	ChEMBL_2311803	Inhibition of AAK1 (unknown origin)
50019278	2	ChEMBL_2311804	Inhibition of CYP3A4 (unknown origin)
50019278	3	ChEMBL_2311805	Inhibition of AAK1 expressed in human HEK293K cells
50019278	4	ChEMBL_2311806	Inhibition of GST-Xa-tagged recombinant human AAK1 using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 as substrate assessed as reduction in AP2M1 phosphorylation incubated for 3 hrs in presence of ATP by fluorescence based assay
50019278	5	ChEMBL_2311807	Inhibition of recombinant AAK1 (unknown origin) expressed in baculovirus assessed as reduction in AP-2 phosphorylation
50019278	6	ChEMBL_2311808	Inhibition of recombinant AAK1 expressed in human HEK293F cells co-expressed with AP-2 assessed as reduction in AP-2 phosphorylation by western blotting
50019278	7	ChEMBL_2311811	Binding affinity of AAK1 (unknown origin) assessed as dissociation constant
50019278	8	ChEMBL_2311812	Inhibition of GST-tagged recombinant AAK1 (unknown origin) using AP2M1 peptide as substrate by ADP-Glo kinase assay
50019279	1	ChEMBL_2311813	Inhibition of iNOS (unknown origin)
50019279	2	ChEMBL_2311816	Inhibition of N-terminal his6-tagged recombinant human iNOS expressed in Escherichia coli preincubated for 15 mins followed by NADPH addition and measured after 30 mins by HPLC analysis
50019279	3	ChEMBL_2311817	Inhibition of full length N-terminal his-tagged bovine eNOS (2 to 1205 residues) expressed in Escherichia coli preincubated for 15 mins followed by NADPH addition and measured after 30 mins by HPLC analysis
50019280	1	ChEMBL_2311876	Inhibition of C-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using biotin-H3K27ace as substrate incubated for 45 mins by alpha screen assay
50019280	2	ChEMBL_2311884	Binding affinity to C-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by SPR analysis
50019280	3	ChEMBL_2311891	Inhibition of N-terminal ENL YEATS domain (1 to 138 residues) (unknown origin)
50019280	4	ChEMBL_2311892	Inhibition of recombinantC-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using H3(13-32)K27cr as substrate by FRET assay
50019280	5	ChEMBL_2311893	Binding affinity toC-terminal 6xHis-tagged ENL YEATS domain (1 to 148 residues) (unknown origin) assessed as dissociation constant by BLI assay
50019280	6	ChEMBL_2311894	Inhibition of 3xFLAG-HA-tagged wild-type human ENL YEATS domain using biotinylated peptide as substrate preincubated for 15 mins followed by substrate addition and incubated for 30 mins by TR-FRET Assay
50019280	7	ChEMBL_2311895	Binding affinity to 3xFLAG-HA-tagged wild-type human ENL YEATS domain assessed as dissociation constant by ITC titration assay
50019280	8	ChEMBL_2311896	Inhibition of ENL YEATS domain (unknown origin) by In-gel fluorescence analysis
50019280	9	ChEMBL_2311897	Binding affinity to ENL YEATS domain (unknown origin) assessed as dissociation constant by ITC assay
50019280	10	ChEMBL_2311898	Inhibition of C-terminal ENL YEATS domain (unknown origin) (M1 to A148 residues) using biotinylated peptide as substrate by alpha screen assay
50019280	11	ChEMBL_2311899	Binding affinity to C-terminal ENL YEATS domain (unknown origin) (M1 to A148 residues) assessed as dissociation constant by ITC assay
50019280	12	ChEMBL_2311900	Inhibition of recombinant C-terminal 6-His tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli BL21 cells using H3K27cr as substrate incubated for 2 hrs by HTRF assay
50019280	13	ChEMBL_2311901	Binding affinity to C-terminal 6-His tagged ENL YEATS domain (1 to 148 residues) (unknown origin) expressed in Escherichia coli BL21 cells assessed as dissociation constant by SPR assay
50019280	14	ChEMBL_2311902	Inhibition of wild type human ENL YEATS domain by Alpha screen assay
50019280	15	ChEMBL_2311903	Binding affinity to wild type human ENL YEATS domain assessed as dissociation constant by ITC assay
50019281	1	ChEMBL_2311911	Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 90 mins by radioligand competition binding assay
50019281	2	ChEMBL_2311912	Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by radioligand competition binding assay
50019281	3	ChEMBL_2311915	Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of NKH-477 induced cAMP production incubated for 30 mins by luminescence based analysis
50019282	1	ChEMBL_2312254	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method
50019282	2	ChEMBL_2312255	Inhibition of equine serum BChE by Ellman's method
50019282	3	ChEMBL_2312258	Inhibition of AChE (unknown origin)
50019282	4	ChEMBL_2312265	Mixed type inhibition of equine serum BChE assessed as inhibition constant by Lineweaver-Burk plot analysis
50019282	5	ChEMBL_2312273	Inhibition of BChE (unknown origin)
50019283	1	ChEMBL_2312313	Binding affinity to RXRalpha LBD (unknown origin) assessed as increase in response unit by measuring dissociation constant by SPR analysis
50019283	2	ChEMBL_2312323	Binding affinity to RXRalpha LBD (unknown origin) assessed as dissociation constant by fluorescence quenching analysis
50019284	1	ChEMBL_2312502	Inhibition of CDK9 (unknown origin)
50019284	2	ChEMBL_2312503	Inhibition of CDK5 (unknown origin)
50019284	3	ChEMBL_2312504	Inhibition of CDK2 (unknown origin)
50019284	4	ChEMBL_2312505	Inhibition of CDK4 (unknown origin)
50019285	1	ChEMBL_2312531	Binding affinity to recombinant human BRD3 BD1 (24 to 144 residues) assessed as inhibition constant by fluorescence polarization binding assay
50019285	2	ChEMBL_2312532	Binding affinity to recombinant human BRD3 BD2 (306 to 417 residues) assessed as inhibition constant by fluorescence polarization binding assay
50019286	1	ChEMBL_2312668	Binding affinity to DLK (unknown origin) assessed as inhibition constant
50019286	2	ChEMBL_2312669	Inhibition of DLK (unknown origin)
50019286	3	ChEMBL_2312671	Inhibition of AURKB (unknown origin)
50019286	4	ChEMBL_2312672	Binding affinity to MET (unknown origin) assessed as dissociation constant
50019286	5	ChEMBL_2312673	Binding affinity to KDR (unknown origin) assessed as dissociation constant
50019286	6	ChEMBL_2312674	Binding affinity to DLK (unknown origin) assessed as dissociation constant
50019287	1	ChEMBL_2312895	Inhibition of full length wild-type BTK (unknown origin) in presence of ATP
50019287	2	ChEMBL_2312896	Inhibition of full length BTK C481S mutant (unknown origin) in presence of ATP
50019288	1	ChEMBL_2312912	Binding affinity to influenza A virus H1N1 (A/Norway/1758/07) neuraminidase using MUNANA as substrate assessed as inhibition constant
50019288	2	ChEMBL_2312916	Inhibition of avian Influenza A virus SN 33 (H1N1) neuraminidase infected in dog MDCK cells using MU-NANA as substrate assessed as reduction in viral replication incubated for 72 hrs by spectrofluorometric analysis
50019288	3	ChEMBL_2312917	Inhibition of avian Influenza A Taiwan 3446 2002(H3N2) neuraminidase infected in dog MDCK cells using MU-NANA as substrate assessed as reduction in viral replication incubated for 72 hrs by spectrofluorometric analysis
50019288	4	ChEMBL_2312920	Inhibition of influenza A virus neuraminidase
50019288	5	ChEMBL_2312922	Inhibition of influenza A virus A/RI/5+/1957(H2N2) neuraminidase using 4-MU-Neu5Ac as substrate
50019288	6	ChEMBL_2312924	Inhibition of influenza A virus H3N2 (A/Moscow/10/99) neuraminidase using MUNANA as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based assay
50019288	7	ChEMBL_2312925	Inhibition of influenza A virus H3N2 (A/Moscow/10/99) harboring E119V mutant neuraminidase using MUNANA as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based assay
50019288	8	ChEMBL_2312926	Inhibition of influenza A virus A/H3N2 neuraminidase
50019289	1	ChEMBL_2312933	Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg peptide as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 10 mins by FRET assay
50019290	1	ChEMBL_2313050	Inhibition of ATR (unknown origin)
50019290	2	ChEMBL_2313073	Inhibition of mTOR (unknown origin)
50019291	1	ChEMBL_2313167	Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated in presence of ATP by FRET based Z-LYTE assay
50019291	2	ChEMBL_2313175	Inhibition of CSF1-induced CSF1R signalling in mouse BMDM cells assessed as reduction in ERK1/2 phosphorylation preincubated for 30 mins followed by CSF1 addition and measured after 10 mins
50019291	3	ChEMBL_2313191	Binding affinity to autoinhibited form of CSF1R (unknown origin) assessed as dissociation constant incubated for 1 hr by qPCR based Hill equation analysis
50019291	4	ChEMBL_2313192	Binding affinity to non-autoinhibited form of CSF1R (unknown origin) assessed as dissociation constant incubated for 1 hr by qPCR based Hill equation analysis
50019291	5	ChEMBL_2313194	Inhibition of EGFR (unknown origin) in presence of ATP
50019292	1	ChEMBL_2313196	Inhibition of HIV-1 protease expressed in Escherichia coli assessed as inhibition constant using Ac-Thr-Ile-Met-Met-Gln-Arg as substrate preincubated for 10 mins followed by substrate addition by HPLC analysis
50019293	1	ChEMBL_2313200	Inhibition of human recombinant MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate incubated for 50 mins by spectrofluorimetric analysis
50019293	2	ChEMBL_2313201	Inhibition of human recombinant MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate incubated for 50 mins by spectrofluorimetric analysis
50019293	3	ChEMBL_2313210	Inhibition of human recombinant MAO-B expressed in Pichia pastoris assessed as inhibition constant using MMTP as substrate by Morrison equation based UV-Visible spectrophotometric analysis
50019293	4	ChEMBL_2313212	Inhibition of human MAO-B
50019293	5	ChEMBL_2313213	Inhibition of bovine brain MAO-B assessed as inhibition constant
50019294	1	ChEMBL_2313246	Agonist activity at human TLR7 expressed in HEK-Blue hTLR7 cells by reporter gene assay
50019294	2	ChEMBL_2313247	Agonist activity at human TLR8 expressed in HEK-Blue hTLR8 cells by reporter gene assay
50019295	1	ChEMBL_2313292	Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured every 35 secs for 3.5 mins by FRET assay
50019295	2	ChEMBL_2313300	Inhibition of full length SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured every 30 secs for 10 mins by FRET assay
50019296	1	ChEMBL_2313311	Agonist activity at EP4 (unknown origin) assessed as increase in calcium flux
50019298	1	ChEMBL_2313390	Inhibition of mouse MGAT2 by LC-MS analysis
50019298	2	ChEMBL_2313391	Inhibition of CYP3A4 (unknown origin)
50019298	3	ChEMBL_2313393	Inhibition of human DGAT1
50019298	4	ChEMBL_2313394	Inhibition of human MGAT3
50019298	5	ChEMBL_2313400	Inhibition of human MGAT2 by LC-MS analysis
50019298	6	ChEMBL_2313403	Inhibition of CYP2C9 (unknown origin)
50019298	7	ChEMBL_2313404	Inhibition of CYP2C8 (unknown origin)
50019300	1	ChEMBL_2313433	Inhibition of Hsp90 (unknown origin)
50019301	1	ChEMBL_2313492	Binding affinity to AKT1 (unknown origin) assessed as dissociation constant by biolayer interferometry analysis
50019302	1	ChEMBL_2313709	Inhibition of Escherichia coli DNA gyrase ATPase activity incubated for 80 mins
50019302	2	ChEMBL_2313710	Inhibition of Escherichia coli DNA gyrase supercoiling activity using relaxed pBR322 DNA as substrate preincubated for 5 mins followed by enzyme addition and measured after 1 hr by agarose gel electrophoresis
50019302	3	ChEMBL_2313712	Inhibition of human topoisomerase 2 alpha decatenation activity using kDNA as substrate preincubated for 5 mins followed by enzyme addition and measured after 1 hr by agarose gel electrophoresis
50019302	4	ChEMBL_2313713	Inhibition of human ERG expressed in CHO cells by automated path clamp method
50019303	1	ChEMBL_2313716	Inhibition of recombinant human FLT3-ITD mutant expressed in Sf9 insect cells using AGLT peptide and ATP as substrate in presence of [gamma-33P]ATP as substrate by radiometric assay
50019303	2	ChEMBL_2313717	Inhibition of recombinant human FLT3-D835Y mutant expressed in Sf9 insect cells using AGLT peptide and ATP as substrate in presence of [gamma-33P]ATP as substrate by radiometric assay
50019303	3	ChEMBL_2313718	Inhibition of CDK2/Cyclin E (unknown origin) expressed in Sf9 insect cells using histone H1 and ATP as substrate in presence of [gamma-33P]ATP as substrate by radiometric assay
50019303	4	ChEMBL_2313726	Inhibition of recombinant human FLT3-ITD-F691L mutant expressed in Sf9 insect cells using myelin basic protein and ATP as substrate in presence of [gamma-33P]ATP as substrate by radiometric assay
50019303	5	ChEMBL_2313779	Inhibition of human KIT by Eurofins-DiscoverX assay
50019305	1	ChEMBL_2313912	Inhibition of PDE1C (147 to 531 residues) (unknown origin) using 3H-cGMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	2	ChEMBL_2313913	Inhibition of PDE9A (181 to 506 residues) (unknown origin) using 3H-cGMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	3	ChEMBL_2313914	Inhibition of PDE2A (580 to 919 residues) (unknown origin) using 3H-cGMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	4	ChEMBL_2313915	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) using 3H-cAMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	5	ChEMBL_2313916	Inhibition of PDE4D (86 to 413 residues) (unknown origin) using 3H-cAMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	6	ChEMBL_2313917	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) using 3H-cGMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	7	ChEMBL_2313918	Inhibition of PDE7A (130 to 482 residues) (unknown origin) using 3H-cAMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	8	ChEMBL_2313919	Inhibition of PDE8A (480 to 820 residues) (unknown origin) using 3H-cAMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	9	ChEMBL_2313920	Inhibition of PDE10A (449 to 770 residues) (unknown origin) using 3H-cAMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50019305	10	ChEMBL_2313929	Inhibition of human ERG expressed in CHO cells by automated patch clamp electrophysiology analysis
50019305	11	ChEMBL_2313930	Inhibition of CYP1A2 in human liver microsomes using specific probe substrate in presence of NADPH
50019305	12	ChEMBL_2313931	Inhibition of CYP2C19 in human liver microsomes using specific probe substrate in presence of NADPH
50019305	13	ChEMBL_2313932	Inhibition of CYP2D6 in human liver microsomes using specific probe substrate in presence of NADPH
50019305	14	ChEMBL_2313933	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH
50019306	1	ChEMBL_2313952	Inhibition of wild type FLT3 (unknown origin) using peptide substrate TK-S and ATP as substrate incubated for 1 hr by HTRF assay
50019306	2	ChEMBL_2313953	Inhibition of FLT3 D835Y mutant (unknown origin) using peptide substrate TK-S and ATP as substrate incubated for 1 hr by HTRF assay
50019306	3	ChEMBL_2313954	Inhibition of CHK1 (unknown origin) using peptide substrate S1 and ATP as substrate incubated for 1 hr by HTRF assay
50019306	4	ChEMBL_2313957	Inhibition of c-KIT (unknown origin) using peptide substrate TK-S and ATP as substrate incubated for 1 hr by HTRF assay
50019306	5	ChEMBL_2313968	Inhibition of FLT3 ITD mutant (unknown origin) by HTRF assay
50019306	6	ChEMBL_2313969	Inhibition of AMPK alpha2beta1gamma1 (unknown origin) by HTRF assay
50019306	7	ChEMBL_2313970	Inhibition of TAK1 (unknown origin) by HTRF assay
50019306	8	ChEMBL_2313971	Inhibition of P70S6K (unknown origin) by HTRF assay
50019306	9	ChEMBL_2313972	Inhibition of MET (unknown origin) by HTRF assay
50019306	10	ChEMBL_2313973	Inhibition of CK1 alpha (unknown origin) by HTRF assay
50019306	11	ChEMBL_2314009	Inhibition of hERG expressed in HEK293 cells assessed as inhibition of channel current amplitude by whole cell patch clamp analysis
50019307	1	ChEMBL_2314040	Binding affinity to N-terminal 6His-tagged GDP-bound Galphai1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50019307	2	ChEMBL_2314041	Binding affinity to N-terminal 6His-tagged GMPPNP-bound Galphai1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50019308	1	ChEMBL_2314091	Inhibition of 5-carboxyfluorescein-GY(PO3H2)LPQTV-NH2 peptide probe binding to human STAT3 SH2 domain preincubated for 30 mins followed by probe addition and measured after 1 hr by fluorescence polarization assay
50019309	1	ChEMBL_2314147	Binding affinity to human VISTA assessed as dissociation constant by SPR assay
50019309	2	ChEMBL_2314161	Binding affinity to human VISTA assessed as dissociation constant incubated for 10 mins by MST assay
50019309	3	ChEMBL_2314162	Binding affinity to mouse VISTA assessed as dissociation constant incubated for 10 mins by MST assay
50019310	1	ChEMBL_2314174	Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay
50019310	2	ChEMBL_2314175	Inhibition of SARS-CoV-2 PLpro using RLRGG-AMC as fluorogenic substrate preincubated with compound for 30 mins followed by substrate addition by fluorescence based microplate reader assay
50019310	3	ChEMBL_2314176	Inhibition of Chymotrypsin (unknown origin) using N-succinyl-AAPF-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by fluorescence based assay
50019310	4	ChEMBL_2314177	Inhibition of Cathepsin B (unknown origin) using Z-RR-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by fluorescence based assay
50019310	5	ChEMBL_2314178	Inhibition of Cathepsin L (unknown origin) using Z-VVR-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by fluorescence based assay
50019310	6	ChEMBL_2314179	Inhibition of Cathepsin G (unknown origin) measured for 1 to 2 hrs by fluorescence based assay
50019310	7	ChEMBL_2314181	Inhibition of Caspase-6 (unknown origin)
50019310	8	ChEMBL_2314182	Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) assessed as inhibition constant using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate incubated for 3 hrs by FRET assay
50019312	1	ChEMBL_2314205	Binding affinity to CRM1 (unknown origin) assessed as dissociation constant by microscale thermophoresis assay
50019312	2	ChEMBL_2314207	Inhibition of CRM1-mediated nuclear export in human HeLa cells expressing mCherry-tagged NES reporter incubated for 3 hrs by confocal microscopy analysis
50019312	3	ChEMBL_2314210	Inhibition of CRM1 nuclear export in human HeLa cells assessed as CRM1 depletion measured after 6 hrs
50019314	1	ChEMBL_2314396	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 105 mins by HTRF assay
50019315	1	ChEMBL_2314548	Inhibition of PIKfyve (unknown origin)
50019317	1	ChEMBL_2314570	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes assessed as inhibition constant incubated for 120 mins in presence of haloperidol
50019317	2	ChEMBL_2314571	Binding affinity to sigma1 receptor (unknown origin) assessed as inhibition constant
50019317	3	ChEMBL_2314572	Binding affinity to sigma2 receptor (unknown origin) assessed as inhibition constant
50019317	4	ChEMBL_2314573	Displacement of [3H]di-o-tolylguanidine from rat liver membrane sigma 2 receptor assessed as inhibition constant in presence of haloperidol
50019317	5	ChEMBL_2314574	Displacement of [3H](+)-pentazocine from rat liver membranes sigma 1 receptor assessed as inhibition constant incubated for 120 mins
50019317	6	ChEMBL_2314575	Displacement of [3H]di-o-tolylguanidine from rat liver membrane sigma 2 assessed as inhibition constant incubated for 120 mins
50019317	7	ChEMBL_2314576	Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant
50019317	8	ChEMBL_2314577	Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cell membranes assessed as inhibition constant incubated for 120 mins in presence of haloperidol by microbeta scintillation counter analysis
50019317	9	ChEMBL_2314579	Displacement of [3H]-1,3-di-O-tolylguanidine from human sigma 2 receptor/TMEM97 transfected in sigma 1 receptor knockout HEK293 cell membranes assessed as inhibition constant measured after 120 mins by microbeta scintillation counting analysis
50019317	10	ChEMBL_2314583	Inhibition of hERG expressed in CHO cells at holding potential of -80 mV measured for 15 seconds by whole cell patch clamp assay
50019317	11	ChEMBL_2314588	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins by UPLC-MS/MS analysis
50019317	12	ChEMBL_2314589	Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 20 mins by UPLC-MS/MS analysis
50019317	13	ChEMBL_2314590	Inhibition of CYP2C19 in human liver microsomes using S mephenytoin as substrate incubated for 20 mins by UPLC-MS/MS analysis
50019317	14	ChEMBL_2314591	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 20 mins by UPLC-MS/MS analysis
50019317	15	ChEMBL_2314592	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 20 mins by UPLC-MS/MS analysis
50019318	1	ChEMBL_2314620	Inhibition of VEGFR2 (unknown origin) by Z'-Lyte kinase assay
50019318	2	ChEMBL_2314621	Inhibition of PARP1 (unknown origin)
50019318	3	ChEMBL_2314624	Inhibition of VEGFR1 (unknown origin) by Z'-Lyte kinase assay
50019318	4	ChEMBL_2314625	Inhibition of VEGFR3 (unknown origin) by Z'-Lyte kinase assay
50019318	5	ChEMBL_2314626	Inhibition of FMS (unknown origin) by Z'-Lyte kinase assay
50019318	6	ChEMBL_2314627	Inhibition of MPSK1 (unknown origin) by Z'-Lyte kinase assay
50019318	7	ChEMBL_2314628	Inhibition of MLK3 (unknown origin) by Z'-Lyte kinase assay
50019318	8	ChEMBL_2314629	Inhibition of TAO2 (unknown origin) by Z'-Lyte kinase assay
50019318	9	ChEMBL_2314630	Inhibition of PARP2 (unknown origin)
50019319	1	ChEMBL_2314953	Binding affinity to JNK2 (unknown origin) assessed as dissociation constant by SPR analysis
50019322	1	ChEMBL_2314981	Displacement of [3H]N-methylspiperone from human D4 receptor stably expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by MicroBeta scintillation counting method
50019322	2	ChEMBL_2314982	Displacement of [3H]N-methylspiperone from human D3 receptor stably expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by MicroBeta scintillation counting method
50019322	3	ChEMBL_2314983	Displacement of [3H]N-methylspiperone from human D2 receptor stably expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by MicroBeta scintillation counting method
50019322	4	ChEMBL_2314985	Agonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay
50019322	5	ChEMBL_2314987	Antagonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay
50019322	6	ChEMBL_2314989	Agonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay
50019322	7	ChEMBL_2314991	Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay
50019322	8	ChEMBL_2314995	Agonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	9	ChEMBL_2314997	Antagonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	10	ChEMBL_2314999	Agonist activity at human D3 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	11	ChEMBL_2315001	Antagonist activity at human D3 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	12	ChEMBL_2315003	Agonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	13	ChEMBL_2315005	Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis
50019322	14	ChEMBL_2315011	Agonist activity at 5-HT1A receptor (unknown origin) by calcium flux assay
50019322	15	ChEMBL_2315012	Antagonist activity at 5-HT1A receptor (unknown origin) by calcium flux assay
50019322	16	ChEMBL_2315015	Agonist activity at 5-HT2A receptor (unknown origin) by calcium flux assay
50019322	17	ChEMBL_2315016	Antagonist activity at 5-HT2A receptor (unknown origin) by calcium flux assay
50019322	18	ChEMBL_2315019	Agonist activity at 5-HT2B receptor (unknown origin) by calcium flux assay
50019322	19	ChEMBL_2315020	Antagonist activity at 5-HT2B receptor (unknown origin) by calcium flux assay
50019322	20	ChEMBL_2315083	Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant
50019322	21	ChEMBL_2315084	Binding affinity to D3 receptor (unknown origin) assessed as inhibition constant
50019322	22	ChEMBL_2315085	Binding affinity to D4 receptor (unknown origin) assessed as inhibition constant
50019322	23	ChEMBL_2315086	Binding affinity to 5-HT1A (unknown origin) assessed as inhibition constant
50019322	24	ChEMBL_2315087	Binding affinity to 5-HT1B (unknown origin) assessed as inhibition constant
50019322	25	ChEMBL_2315088	Binding affinity to 5-HT1D (unknown origin) assessed as inhibition constant
50019322	26	ChEMBL_2315089	Binding affinity to 5-HT1E (unknown origin) assessed as inhibition constant
50019322	27	ChEMBL_2315090	Binding affinity to 5-HT2A (unknown origin) assessed as inhibition constant
50019322	28	ChEMBL_2315091	Binding affinity to 5-HT2B (unknown origin) assessed as inhibition constant
50019322	29	ChEMBL_2315092	Binding affinity to 5-HT2C (unknown origin) assessed as inhibition constant
50019322	30	ChEMBL_2315093	Binding affinity to 5-HT5A (unknown origin) assessed as inhibition constant
50019322	31	ChEMBL_2315094	Binding affinity to 5-HT7 (unknown origin) assessed as inhibition constant
50019322	32	ChEMBL_2315095	Binding affinity to alpha1A adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	33	ChEMBL_2315096	Binding affinity to alpha1B adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	34	ChEMBL_2315097	Binding affinity to alpha1D adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	35	ChEMBL_2315098	Binding affinity to alpha2A adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	36	ChEMBL_2315099	Binding affinity to alpha2B adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	37	ChEMBL_2315100	Binding affinity to alpha2C adrenergic receptor (unknown origin) assessed as inhibition constant
50019322	38	ChEMBL_2315101	Binding affinity to H1 receptor (unknown origin) assessed as inhibition constant
50019322	39	ChEMBL_2315102	Binding affinity to guinea pig sigma 1 assessed as inhibition constant
50019322	40	ChEMBL_2315103	Binding affinity to sigma 2 (unknown origin) assessed as inhibition constant
50019322	41	ChEMBL_2315104	Binding affinity to NET (unknown origin) assessed as inhibition constant
50019322	42	ChEMBL_2315105	Binding affinity to MOR (unknown origin) assessed as inhibition constant
50019323	1	ChEMBL_2315114	Binding affinity to GST-tagged wild type human CRBN incubated for 3 hrs by TR-FRET assay
50019323	2	ChEMBL_2315154	Inhibition of human ERG in human HEK293 cells incubated for 5 mins by patch clamp assay
50019323	3	ChEMBL_2315155	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins in presence substrate followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	4	ChEMBL_2315156	Inhibition of CYP2C8 in human liver microsomes preincubated for 5 mins in presence substrate followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	5	ChEMBL_2315157	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins in presence substrate followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	6	ChEMBL_2315158	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins in presence substrate followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	7	ChEMBL_2315159	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins in presence substrate followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	8	ChEMBL_2315160	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019323	9	ChEMBL_2315161	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019324	1	ChEMBL_2315205	Binding affinity to recombinant human HDAC1 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate assessed as inhibition constant
50019324	2	ChEMBL_2315206	Binding affinity to recombinant human HDAC3 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate assessed as inhibition constant
50019324	3	ChEMBL_2315210	Inhibition of recombinant human HDAC1 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate preincubated upto 3 hrs followed by substrate measured after 1 hrs by fluorescence release assay
50019324	4	ChEMBL_2315211	Inhibition of recombinant human HDAC3 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate preincubated upto 3 hrs followed by substrate measured after 1 hrs by fluorescence release assay
50019324	5	ChEMBL_2315212	Inhibition of recombinant human HDAC1 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate measured after 1 hrs by fluorescence release assay
50019324	6	ChEMBL_2315213	Inhibition of recombinant human HDAC3 expressed in baculovirus infected HEK293T cells using acetylLys(Ac)-AMC as substrate preincubated for 3 hrs followed by substrate measured after 1 hrs by fluorescence release assay
50019324	7	ChEMBL_2315215	Binding affinity to human HDAC1 using Acetyl-Lys(Ac)-AMC as substrate assessed as inhibition constant measured after 60 mins
50019324	8	ChEMBL_2315216	Binding affinity to human HDAC3 using Acetyl-Lys(Ac)-AMC as substrate assessed as inhibition constant measured after 60 mins
50019324	9	ChEMBL_2315219	Inhibition of human HDAC3/NCOR2 using Acetyl-Lys(Ac)-AMC as substrate measured after 1 hrs by fluorescence release assay
50019324	10	ChEMBL_2315220	Inhibition of human HDAC3/NCOR2 using Acetyl-Lys(Ac)-AMC as substrate preincubated for 3 hrs followed by substrate addition measured after 1 hrs by fluorescence release assay
50019324	11	ChEMBL_2315221	Inhibition of human HDAC1 using Acetyl-Lys(Ac)-AMC as substrate preincubated for 1 hrs followed by substrate addition measured after 1 hrs by fluorescence release assay
50019324	12	ChEMBL_2315222	Inhibition of human HDAC1 using Acetyl-Lys(Ac)-AMC as substrate measured after 1 hrs by fluorescence release assay
50019324	13	ChEMBL_2315224	Binding affinity to HDAC1 (unknown origin) assessed as inhibition constant
50019324	14	ChEMBL_2315225	Binding affinity to HDAC3 (unknown origin) assessed as inhibition constant
50019324	15	ChEMBL_2315236	Binding affinity to human HDAC1 assessed as inhibition constant measured after 1 hrs
50019324	16	ChEMBL_2315237	Binding affinity to human HDAC2 assessed as inhibition constant measured after 1 hrs
50019324	17	ChEMBL_2315238	Binding affinity to human HDAC3 assessed as inhibition constant measured after 1 hrs
50019324	18	ChEMBL_2315242	Inhibition of human HDAC1 measured after 1 hrs
50019324	19	ChEMBL_2315243	Inhibition of human HDAC2 measured after 1 hrs
50019324	20	ChEMBL_2315244	Inhibition of human HDAC3 measured after 1 hrs
50019324	21	ChEMBL_2315247	Inhibition of C-terminal flag-tagged recombinant human HDAC1 expressed in HEK293F cells
50019324	22	ChEMBL_2315248	Inhibition of C-terminal flag-tagged recombinant human HDAC1 expressed in HEK293F cells measured after 1 hrs
50019324	23	ChEMBL_2315249	Inhibition of C-terminal flag-tagged recombinant human HDAC1 expressed in HEK293F cells measured after 4 hrs
50019324	24	ChEMBL_2315258	Binding affinity to HDAC2 (unknown origin) assessed as inhibition constant
50019324	25	ChEMBL_2315259	Binding affinity to recombinant human HDAC1 assessed as inhibition constant
50019324	26	ChEMBL_2315260	Binding affinity to recombinant human HDAC2 assessed as inhibition constant
50019324	27	ChEMBL_2315261	Binding affinity to recombinant human HDAC3 assessed as inhibition constant
50019324	28	ChEMBL_2315265	Inhibition of recombinant human HDAC1
50019324	29	ChEMBL_2315266	Inhibition of recombinant human HDAC2
50019324	30	ChEMBL_2315267	Inhibition of recombinant human HDAC3
50019324	31	ChEMBL_2315270	Inhibition of recombinant human HDAC6
50019324	32	ChEMBL_2315275	Binding affinity to C-terminal His-tagged human HDAC2 (2 to 488 residues) in transfected in baculovirus infected Sf9 cells assessed as dissociation constant
50019324	33	ChEMBL_2315276	Binding affinity to human HDAC1 assessed as dissociation constant
50019324	34	ChEMBL_2315279	Binding affinity to HDAC2 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant
50019324	35	ChEMBL_2315280	Binding affinity to HDAC3 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant
50019324	36	ChEMBL_2315293	Binding affinity to HDAC1 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1)
50019324	37	ChEMBL_2315294	Binding affinity to HDAC2 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1)
50019324	38	ChEMBL_2315295	Binding affinity to HDAC3 (unknown origin) using Ac-LGKac-AMC as substrate assessed as inhibition constant(ki,1)
50019324	39	ChEMBL_2315300	Binding affinity to HDAC3 (unknown origin) assessed as inhibition constant(ki,1)
50019324	40	ChEMBL_2315301	Binding affinity to HDAC8 (unknown origin) assessed as inhibition constant(ki,1)
50019324	41	ChEMBL_2315309	Binding affinity to HDAC2 (unknown origin) assessed as inhibition constant(ki,1)
50019324	42	ChEMBL_2315310	Binding affinity to HDAC1 (unknown origin) assessed as inhibition constant(ki,1)
50019324	43	ChEMBL_2315321	Inhibition of HDAC1 (unknown origin) measured after 1 hrs by fluorescence based assay
50019324	44	ChEMBL_2315322	Inhibition of HDAC2 (unknown origin) measured after 1 hrs by fluorescence based assay
50019324	45	ChEMBL_2315323	Inhibition of HDAC3 (unknown origin) measured after 1 hrs by fluorescence based assay
50019324	46	ChEMBL_2315324	Inhibition of HDAC1 (unknown origin) measured after 24 hrs by fluorescence based assay
50019324	47	ChEMBL_2315325	Inhibition of HDAC2 (unknown origin) measured after 24 hrs by fluorescence based assay
50019324	48	ChEMBL_2315326	Inhibition of HDAC3 (unknown origin) measured after 24 hrs by fluorescence based assay
50019324	49	ChEMBL_2315329	Inhibition of human HDAC1
50019324	50	ChEMBL_2315330	Inhibition of human HDAC2
50019324	51	ChEMBL_2315331	Inhibition of human HDAC3
50019324	52	ChEMBL_2315332	Inhibition of human HDAC1 using Z-Lys(Ac)-AMC as substrate measured after 5 min by ascent Fluoroskan microplate reader analysis
50019324	53	ChEMBL_2315333	Inhibition of human HDAC1 using Z-Lys(Ac)-AMC as substrate measured after 15 min by ascent Fluoroskan microplate reader analysis
50019324	54	ChEMBL_2315334	Inhibition of human HDAC1 using Z-Lys(Ac)-AMC as substrate measured after 30 min by ascent Fluoroskan microplate reader analysis
50019324	55	ChEMBL_2315335	Inhibition of human HDAC1 using Z-Lys(Ac)-AMC as substrate measured after 60 min by ascent Fluoroskan microplate reader analysis
50019324	56	ChEMBL_2315336	Inhibition of human HDAC1 using Z-Lys(Ac)-AMC as substrate measured after 120 min by ascent Fluoroskan microplate reader analysis
50019324	57	ChEMBL_2315337	Inhibition of human HDAC2 using Z-Lys(Ac)-AMC as substrate measured after 5 min by ascent Fluoroskan microplate reader analysis
50019324	58	ChEMBL_2315338	Inhibition of human HDAC2 using Z-Lys(Ac)-AMC as substrate measured after 15 min by ascent Fluoroskan microplate reader analysis
50019324	59	ChEMBL_2315339	Inhibition of human HDAC2 using Z-Lys(Ac)-AMC as substrate measured after 30 min by ascent Fluoroskan microplate reader analysis
50019324	60	ChEMBL_2315340	Inhibition of human HDAC2 using Z-Lys(Ac)-AMC as substrate measured after 60 min by ascent Fluoroskan microplate reader analysis
50019324	61	ChEMBL_2315341	Inhibition of human HDAC2 using Z-Lys(Ac)-AMC as substrate measured after 120 min by ascent Fluoroskan microplate reader analysis
50019324	62	ChEMBL_2315344	Binding affinity to recombinant human HDAC6 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate measured after 60 mins assessed as inhibition constant (ki,1) by fluorescence based assay
50019324	63	ChEMBL_2315350	Binding affinity to N-terminal GST-tagged human full length HDAC6 expressed in baculovirus infected Sf9 cells using Fluor-de-Lys Green as substrate assessed as inhibition constant
50019324	64	ChEMBL_2315353	Inhibition of N-terminal GST-tagged human full length HDAC6 expressed in baculovirus infected Sf9 cells using Fluor-de-Lys Green as substrate
50019324	65	ChEMBL_2315354	Binding affinity to human HDAC11 assessed as inhibition constant (ki,1)
50019325	1	ChEMBL_2315362	Binding affinity to biotinylated recombinant alpha-synuclein (unknown origin) assessed as dissociation constant by BLI assay
50019325	2	ChEMBL_2315363	Binding affinity to biotinylated recombinant LC3B (unknown origin) assessed as dissociation constant by BLI assay
50019326	1	ChEMBL_2315462	Antagonist activity at his-tagged FZD7 transmembrane domain (unknown origin) assessed as dissociation constant by SPR analysis
50019328	1	ChEMBL_2315465	Binding affinity to VIM-1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by measuring rate of substrate hydrolysis by UV-Vis spectrophotometric analysis
50019328	2	ChEMBL_2315468	Binding affinity to NDM1 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by measuring rate of substrate hydrolysis by UV-Vis spectrophotometric analysis
50019328	3	ChEMBL_2315487	Binding affinity to rabbit lung angiotensin-converting enzyme assessed as inhibition constant
50019329	1	ChEMBL_2315524	Agonist activity at glutathione transferase-tagged human FXR ligand binding domain assessed as biotinylated Src1 peptide recruitment incubated for 30 mins by AlphaScreen assay
50019329	2	ChEMBL_2315525	Agonist activity at TGR5 receptor in human NCI-H716 cells assessed as activation of intracellular cAMP production incubated for 1 hr by HTR-FRET assay
50019330	1	ChEMBL_2315577	Displacement of [3H]-U69593 from calf cortex KOR receptor assessed as inhibition constant
50019330	2	ChEMBL_2315578	Displacement of [3H]-DAGO from calf cortex MOR receptor assessed as inhibition constant
50019330	3	ChEMBL_2315581	Displacement of [3H]-pirenzepine from calf cortex Muscarinic M1 receptor assessed as inhibition constant
50019330	4	ChEMBL_2315582	Displacement of [3H]-DTG from calf hippocampus sigma 2 receptor assessed as inhibition constant
50019330	5	ChEMBL_2315586	Antagonist activity at recombinant alpha3beta4 nAChR in HEK293 cells by voltage-clamp based electrophysiological method
50019330	6	ChEMBL_2315587	Antagonist activity at alpha4beta2 nAChR in HEK293 cells by voltage-clamp based electrophysiological method
50019330	7	ChEMBL_2315588	Antagonist activity at human alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced Ca+2 influx incubated for 5 mins by FLIPR analysis
50019330	8	ChEMBL_2315589	Displacement of [3H]Ibogaine from human alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition constant incubated for 2 hrs by scintillation counter analysis
50019330	9	ChEMBL_2315590	Inhibition of human ERG by electrophysiology assay
50019330	10	ChEMBL_2315591	Displacement of [3H]imipramine from human alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition constant incubated for 2 hrs by scintillation counter analysis
50019330	11	ChEMBL_2315592	Inhibition of nAChR alpha4beta2 receptor (unknown origin)
50019330	12	ChEMBL_2315593	Inhibition of nAChR alpha7 receptor (unknown origin) assessed as inhibition of calcium flux
50019330	13	ChEMBL_2315594	Antagonist activity at rat alpha3beta4 nAChRs expressed in HEK293 cells assessed as inhibition of (+/-)-epibatidine-induced Ca+2 influx measured for 90 sec by FLIPR analysis
50019330	14	ChEMBL_2315595	Antagonist activity at alpha3beta4 nAChRs (unknown origin) assessed as inhibition constant
50019330	15	ChEMBL_2315596	Antagonist activity at alpha4beta2 nAChRs (unknown origin) assessed as inhibition constant
50019330	16	ChEMBL_2315597	Antagonist activity at alpha7 nAChRs (unknown origin) assessed as inhibition constant
50019330	17	ChEMBL_2315598	Inhibition of alpha3beta4 (unknown origin) by electrophysiology assay
50019330	18	ChEMBL_2315599	Inhibition of nAChR alpha3beta2 (unknown origin) by electrophysiology assay
50019330	19	ChEMBL_2315600	Inhibition of nAChR alpha7 (unknown origin) by electrophysiology assay
50019330	20	ChEMBL_2315601	Inhibition of nAChR alpha4beta2 (unknown origin) by electrophysiology assay
50019330	21	ChEMBL_2315602	Antagonist activity at rat alpha3beta4 nACh receptor expressed in Xenopus oocyte by voltage-clamp based electrophysiological assay
50019330	22	ChEMBL_2315603	Antagonist activity at rat alpha3beta2 nACh receptor expressed in Xenopus oocyte by voltage-clamp based electrophysiological assay
50019330	23	ChEMBL_2315604	Antagonist activity at rat alpha4beta2 nACh receptor expressed in Xenopus oocyte by voltage-clamp based electrophysiological assay
50019330	24	ChEMBL_2315605	Antagonist activity at human alpha7 nACh receptor expressed in Xenopus oocyte by voltage-clamp based electrophysiological assay
50019330	25	ChEMBL_2315606	Antagonist activity at nAChR alpha3beta4 in human SH-SY5Y cells assessed as increase in intracellular calcium level preincubated for 10 mins followed by nicotine addition measured after 30 mins by FLIPR assay
50019330	26	ChEMBL_2315607	Antagonist activity at nAChR alpha7 in human SH-SY5Y cells assessed as increase in intracellular calcium level preincubated for 10 mins followed by choline addition measured after 30 mins by FLIPR assay
50019330	27	ChEMBL_2315608	Binding affinity to rat alpha3beta4 nAChR expressed in HEK cells assessed as inhibition constant measured after 2 hrs in the presence of [3H]epibatidine
50019330	28	ChEMBL_2315609	Binding affinity to rat alpha4beta2 nAChR expressed in HEK cells assessed as inhibition constant measured after 2 hrs in the presence of [3H]epibatidine
50019330	29	ChEMBL_2315610	Binding affinity to rat alpha7 nAChR expressed in HEK cells assessed as inhibition constant measured after 2 hrs in the presence of [3H]epibatidine
50019330	30	ChEMBL_2315611	Antagonist activity at alpha3beta4 nAChR (unknown origin)
50019330	31	ChEMBL_2315612	Antagonist activity at alpha4beta2 nAChR (unknown origin)
50019330	32	ChEMBL_2315614	Antagonist activity at H1 receptor (unknown origin)
50019330	33	ChEMBL_2315615	Antagonist activity at muscarinic M4 receptor (unknown origin)
50019330	34	ChEMBL_2315616	Antagonist activity at muscarinic M5 receptor (unknown origin)
50019330	35	ChEMBL_2315617	Antagonist activity at sigma 2 receptor (unknown origin)
50019330	36	ChEMBL_2315618	Antagonist activity at sigma 1 receptor (unknown origin)
50019330	37	ChEMBL_2315619	Displacement of [3H] epibatidine from alpha3beta4 nAChR in HEK293 cells assessed as inhibition constant
50019330	38	ChEMBL_2315620	Displacement of [3H] epibatidine from alpha4beta2 nAChR in HEK293 cells assessed as inhibition constant
50019330	39	ChEMBL_2315621	Partial agonist activity at alpha3beta4 nAChR in HEK293 cells assessed as reduction in Ca+2 influx by FLIPR assy
50019330	40	ChEMBL_2315622	Partial agonist activity at alpha4beta2 nAChR in HEK293 cells assessed as reduction in Ca+2 influx by FLIPR assy
50019330	41	ChEMBL_2315623	Inhibition of alpha3beta4 nAChRs (unknown origin)
50019330	42	ChEMBL_2315624	Antagonist activity at alpha7 nAChRs in human SH-SY5Y cells assessed as increase in intracellular calcium level by FLIPR assay
50019331	1	ChEMBL_2315625	Inhibition of BRD4 (unknown origin)
50019331	2	ChEMBL_2315639	Inhibition of BRD2 bromodomain 1 (unknown origin) by Alphascreen based method
50019331	3	ChEMBL_2315640	Inhibition of BRD2 bromodomain 2 (unknown origin) by Alphascreen based method
50019331	4	ChEMBL_2315641	Inhibition of BRD3 bromodomain 1 (unknown origin) by Alphascreen based method
50019331	5	ChEMBL_2315642	Inhibition of BRD3 bromodomain 2 (unknown origin) by Alphascreen based method
50019331	6	ChEMBL_2315643	Inhibition of BRD4 bromodomain 1 (unknown origin) by Alphascreen based method
50019331	7	ChEMBL_2315644	Inhibition of BRD4 bromodomain 2 (unknown origin) by Alphascreen based method
50019331	8	ChEMBL_2315645	Inhibition of BRDT bromodomain 1 (unknown origin) by Alphascreen based method
50019331	9	ChEMBL_2315646	Binding affinity to BRD2 BD1 (unknown origin) by thermal denaturation assay
50019331	10	ChEMBL_2315647	Binding affinity to BRD2 BD2 (unknown origin) by thermal denaturation assay
50019331	11	ChEMBL_2315650	Binding affinity to BRD4 BD1 (unknown origin) by thermal denaturation assay
50019331	12	ChEMBL_2315651	Binding affinity to BRD4 BD2 (unknown origin) by thermal denaturation assay
50019332	1	ChEMBL_2315692	Inhibition of tubulin polymerization of pig brain microtubules by spectroscopic analysis
50019333	1	ChEMBL_2315742	Binding affinity to wild type human PI5P4Kgamma assessed as dissociation constant incubated for 30 mins by DiscoverX KINOMEscan assay
50019333	2	ChEMBL_2315743	Binding affinity to wild type human PIP5K1C assessed as dissociation constant incubated for 30 mins by DiscoverX KINOMEscan assay
50019334	1	ChEMBL_2315757	Inhibition of CYP1B1 (unknown origin) expressed in HEK293-T-REx cells co-expressing POR incubated for 1 hr by resorufin dye based plate reader analysis
50019334	2	ChEMBL_2315758	Inhibition of CYP1A1 (unknown origin) expressed in HEK293-T-REx cells co-expressing POR incubated for 1 hr by resorufin dye based plate reader analysis
50019334	3	ChEMBL_2315759	Inhibition of CYP450 in pooled human liver microsomes in presence of NADPH measured every 3 mins for 120 mins by fluorescence based analysis
50019334	4	ChEMBL_2315764	Inhibition of CYP1A2 (unknown origin) incubated for 10 mins in presence of NADPH by resorufin dye based fluorescence analysis
50019334	5	ChEMBL_2315765	Inhibition of CYP3A4 (unknown origin) incubated for 1 hr in presence of NADPH and 7-BFC by fluorescence based analysis
50019335	1	ChEMBL_2315822	Inhibition of glutathione reductase (unknown origin)
50019336	1	ChEMBL_2315915	Inhibition of recombinant human DNA polymerase eta expressed in baculovirus expression system using primer/TAMRA-labeled reporter/BHQ2-labeled template as DNA substrate preincubated for 15 mins followed by substrate addition measured immediately by fluorescence based assay
50019336	2	ChEMBL_2315916	Inhibition of 6xHis-tagged human DNA polymerase eta (1 to 437 residues) expressed in Escherichia coli BL21 DE3 assessed as displacement of reporter strand using 5'-TTT TTT TTG C-TAMRA-3' reporter/5'-TCA CCC TCG TAC GAC TCT T-3' primer/5'-BHQ2-GCA AAA AAA AAA GAG TCG TAC GAG GGT GA-3' template of 1:1.5:1.5 as DNA substrate preincubated for 5 to 10 mins followed by substrate addition measured immediately in presence of dTTP/MgCl2 by fluorescence based assay
50019336	3	ChEMBL_2315917	Inhibition of human DNA polymerase eta (1 to 437 residues) using 5'-TTT TTT TTG C-TAMRA-3' reporter/5'-(FAM-TTT)-GGGGGAAGGATTC-3' primer/5'-TCACGGAATCCTTCCCCC-3' template as DNA substrate preincubated for 5 to 10 mins followed by DNA substrate addition measured immediately in presence of dTTP/MgCl2 by fluorescence based assay
50019336	4	ChEMBL_2315920	Inhibition of C-terminal 6xHis-tagged human DNA polymerase eta (1 to 511 residues) expressed in Escherichia coli BL21 DE3 using 5'-IRD700-GCAGGTCGACTCCAAAG-3' primer/ 5'-TCGGTACCGGGTTAGCCTTTGGAGTCGACCTGC-3' template as DNA substrate incubated for 60 mins in presence of Mg2+ by bromophenol blue staining based assay
50019337	1	ChEMBL_2316063	Inhibition of human HDAC1
50019337	2	ChEMBL_2316064	Inhibition of human HDAC2
50019337	3	ChEMBL_2316065	Inhibition of human HDAC6
50019337	4	ChEMBL_2316066	Inhibition of human HDAC8
50019338	1	ChEMBL_2316074	Covalent inhibition of p97 (unknown origin) ATPase activity incubated for 60 mins in presence of ATP by Biomol Green Reagent based microplate reader analysis
50019338	2	ChEMBL_2316079	Covalent inhibition of recombinant p97 (unknown origin) ATPase activity
50019339	1	ChEMBL_2316111	Inhibition of human MPO using taurine as substrate assessed as reduction in substrate chlorination incubated for 30 mins by taurine-chloramine assay
50019339	2	ChEMBL_2316113	Inhibition of human MPO peroxidase activity incubated in presence of H2O2 by amplex red assay
50019340	1	ChEMBL_2316115	Competitive inhibition of human recombinant tyrosinase expressed in Sf9 cells using L-DOPA as substrate by Michelis-Menten based analysis
50019340	2	ChEMBL_2316116	Uncompetitive inhibition of human recombinant tyrosinase expressed in Sf9 cells using L-DOPA as substrate by Michelis-Menten based analysis
50019340	3	ChEMBL_2316117	Competitive inhibition of Streptomyces antibioticus tyrosinase using L-DOPA as substrate by Michelis-Menten based analysis
50019340	4	ChEMBL_2316119	Inhibition of tyrosinase in mouse B16-F10 cells assessed as inhibition of melanin production measured after 72 hrs
50019340	5	ChEMBL_2316120	Inhibition of tyrosinase in human MNT-1 cell lysates assessed as inhibition of melanin production using L-DOPA as substrate measured after 3 hrs
50019340	6	ChEMBL_2316121	Inhibition of tyrosinase in human MNT-1 cells assessed as inhibition of melanin production measured after 96 hrs
50019341	1	ChEMBL_2316122	Inhibition of ARFGAP1 (unknown origin)
50019342	1	ChEMBL_2316131	Binding affinity to PDE12 (unknown origin) (17 to 609 residues) assessed as inhibition constant by AMP-glo reagent based assay
50019342	2	ChEMBL_2316136	Binding affinity to JNK1 (unknown origin) assessed as dissociation constant
50019342	3	ChEMBL_2316137	Inhibition of human recombinant sEH
50019342	4	ChEMBL_2316138	Binding affinity to TNKS1 (unknown origin) assessed as dissociation constant
50019342	5	ChEMBL_2316140	Inhibition of PAD4 (unknown origin) in presence of 2 mM Ca
50019342	6	ChEMBL_2316141	Binding affinity to JNK3 (unknown origin) assessed as inhibition constant
50019342	7	ChEMBL_2316142	Antagonist activity at PAR2 (unknown origin) expressed in human 1321N1 cells
50019342	8	ChEMBL_2316144	Binding affinity to human serum albumin by fluorescence polarization assay
50019342	9	ChEMBL_2316146	Inhibition of GST-tagged full length human KMO
50019342	10	ChEMBL_2316148	Inhibition of N-terminal His-tagged CREBBP (unknown origin) expressed in Escherichia coli BL21 (DE3)
50019342	11	ChEMBL_2316149	Inhibition of human recombinant carbonic anhydrase IX
50019342	12	ChEMBL_2316150	Binding affinity to thrombin (unknown origin) assessed as inhibition constant
50019342	13	ChEMBL_2316153	Inhibition of DDR1 (unknown origin)
50019342	14	ChEMBL_2316154	Inhibition of DDR2 (unknown origin)
50019342	15	ChEMBL_2316155	Inhibition of ATX (unknown origin)
50019343	1	ChEMBL_2316232	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019343	2	ChEMBL_2316233	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019343	3	ChEMBL_2316234	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019343	4	ChEMBL_2316235	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019343	5	ChEMBL_2316236	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019343	6	ChEMBL_2316237	Displacement of FITC-labeled BIM SAHB from recombinant BAX (unknown origin) measured for 20 mins by competitive fluorescence polarization assay
50019343	7	ChEMBL_2316238	Displacement of FITC-labeled BIM SAHBA2 from human full length BAX trigger site expressed in Escherichia coli measured for 20 mins by competitive fluorescence polarization assay
50019344	1	ChEMBL_2316242	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation
50019344	2	ChEMBL_2316244	Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation assessed as disaggregation
50019344	3	ChEMBL_2316252	Inhibition of Cu2+ induced of amyloid beta (1 to 42) aggregation (unknown origin)
50019344	4	ChEMBL_2316253	Inhibition of Fe3+ induced of amyloid beta (1 to 42) aggregation (unknown origin)
50019345	1	ChEMBL_2316342	Inhibition of Plasmodium falciparum Itg2 trophozite extracts FP-2 using Z-phe-Arg-AMC as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 30 mins by spectrofluorometry
50019345	2	ChEMBL_2316344	Inhibition of Plasmodium falciparum D10 trophozite lysates FP-2 pretreated with compound for 1 hr followed by labeling with Cy5-DCG04 for 1 hr by fluorescence scanning analysis
50019345	3	ChEMBL_2316345	Inhibition of Plasmodium falciparum D10 trophozite lysates FP-3 pretreated with compound for 1 hr followed by labeling with Cy5-DCG04 for 1 hr by fluorescence scanning analysis
50019345	4	ChEMBL_2316346	Inhibition of Plasmodium falciparum FP-2 using Z-phe-Arg-AMC as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based analysis
50019345	5	ChEMBL_2316348	Inhibition of Plasmodium falciparum FP2 using ZFR-AMC as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 30 mins by fluorimetric analysis
50019345	6	ChEMBL_2316350	Inhibition of Plasmodium falciparum FP-2 using Z-Leu-Arg-AMC as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 15 mins by spectrofluorometry
50019345	7	ChEMBL_2316352	Inhibition of Plasmodium falciparum FP-2 using Z-Leu-Arg-AMC as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured for 30 mins by spectrofluorometry
50019345	8	ChEMBL_2316354	Inhibition of Plasmodium falciparum FP-2 using Cbz-Phe-Arg-AMC as substrate pretreated with enzyme for 10 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019345	9	ChEMBL_2316359	Inhibition of Plasmodium falciparum FP-2 using Z-Phe-Arg-AMC as substrate pretreated with enzyme for 10 mins followed by susbtrate addition and measured after 10 mins by fluorescence based analysis
50019345	10	ChEMBL_2316363	Binding affinity to Plasmodium falciparum FP-2 by surface plasmon resonance analysis
50019345	11	ChEMBL_2316364	Inhibition of Plasmodium falciparum FP-2 using Cbz-Leu-Arg-AMC as substrate and measured for 5 to 10 mins by fluorescence spectrophotometric analysis
50019345	12	ChEMBL_2316365	Inhibition of human Cathepsin B using Cbz-Phe-Arg-AMC as substrate by fluorescence spectrophotometric analysis
50019345	13	ChEMBL_2316366	Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate by fluorescence spectrophotometric analysis
50019345	14	ChEMBL_2316374	Inhibition of Plasmodium falciparum trophozite extracts FP-2
50019348	1	ChEMBL_2316383	Binding affinity to ERalpha (unknown origin) assessed as inhibition constant
50019348	2	ChEMBL_2316384	Binding affinity to ERbeta (unknown origin) assessed as inhibition constant
50019348	3	ChEMBL_2316388	Inhibition of human recombinant aromatase using ARO as substrate
50019348	4	ChEMBL_2316391	Antagonist activity against ERalpha in estradiol stimulated HEK293T cells measuring luciferase activity after 24 hrs by luciferase reporter assay
50019348	5	ChEMBL_2316393	Agonist activity against ERbeta in HEK293T cells measuring luciferase activity after 24 hrs by luciferase reporter assay
50019348	6	ChEMBL_2316395	Antagonist activity against ERbeta in estradiol stimulated HEK293T cells measuring luciferase activity after 24 hrs by luciferase reporter assay
50019349	1	ChEMBL_2316425	Inhibition of MBP fused recombinant human PPP5C phosphatase domain expressed in Escherichia coli using DiFMUP as substrate
50019349	2	ChEMBL_2316431	Inhibition of PPP5C (unknown origin) phosphatase domain using phosphohistone as substrate
50019349	3	ChEMBL_2316433	Inhibition of PP4 (unknown origin) phosphatase domain
50019349	4	ChEMBL_2316434	Inhibition of PPP5C (unknown origin) phosphatase domain
50019349	5	ChEMBL_2316435	Inhibition of PP7 (unknown origin) phosphatase domain
50019349	6	ChEMBL_2316438	Binding affinity to rat PPP5C (428 to 430 residues) phosphatase domain expressed in Escherichia coli BL21-codonplus (DE3)-RIL cells using para-nitrophenyl phosphate as substrate assessed as dissociation constant at 10^5 nM
50019349	7	ChEMBL_2316441	Activation of PPP5C (unknown origin) TPR domain
50019352	1	ChEMBL_2316443	Displacement of [3H]U69593 from human KOR expressed in HEK cell membranes assessed as inhibition constant incubated for 60 mins by microbeta 2 scintillation counting method
50019352	2	ChEMBL_2316444	Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes assessed as inhibition constant incubated for 60 mins by microbeta 2 scintillation counting method
50019352	3	ChEMBL_2316445	Displacement of [3H]DADLE from human DOR expressed in CHO cell membranes assessed as inhibition constant incubated for 60 mins by microbeta 2 scintillation counting method
50019353	1	ChEMBL_2316462	Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as substrate preincubated for 5 mins followed by substrate addition by spectrofluorometry analysis
50019353	2	ChEMBL_2316463	Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-FR-AMC as substrate preincubated for 20 mins followed by substrate addition and measured for 45 mins by fluorescence analysis
50019354	1	ChEMBL_2316502	Inhibition of human recombinant IDO1 measured after 60 mins by fluorescence based analysis
50019354	2	ChEMBL_2316503	Inhibition of IDO1 in IFN-gamma treated human HeLa cells incubated for 48 hrs by absorbance based analysis
50019354	3	ChEMBL_2316504	Binding affinity to human recombinant IDO1 assessed as dissociation constant measured for 60 sec by SPR assay
50019356	1	ChEMBL_2316551	Inhibition of wild type HPK1 (unknown origin) using FAM-FPQAAsLPPYFAKKK peptide as substrate in presence of ATP by caliper assay
50019356	2	ChEMBL_2316552	Inhibition of HPK1 (unknown origin)
50019356	3	ChEMBL_2316553	Inhibition of human HPK1 in human Jurkat T cells assessed as inhibition of SLP76 phosphorylation
50019356	4	ChEMBL_2316554	Inhibition of human HPK1 using myelin basic protein and [gamma33P]ATP as substrate incubated for 40 mins in presence of Mg/ATP by radiometric scintillation counting analysis
50019356	5	ChEMBL_2316557	Inhibition of human HPK1 in anti-human CD3 stimulated human Jurkat T cells assessed as inhibition of SLP76 phosphorylation preincubated for 10 mins followed by anti-human CD3 stimulation and measured after 60 mins by Western blot analysis
50019356	6	ChEMBL_2316559	Inhibition of human HPK1 in human Jurkat T cells assessed as increase in anti-human CD3 stimulated IL-2 secretion preincubated for 10 mins followed by anti-human CD3 stimulation and measured after 24 hrs by ELISA
50019357	1	ChEMBL_2316618	Positive modulation of SK1 in HEK293 cells in presence of Ca2+ by patch-clamp method
50019357	2	ChEMBL_2316619	Positive modulation of SK2 in HEK293 cells in presence of Ca2+ by patch-clamp method
50019357	3	ChEMBL_2316620	Positive modulation of SK3 in HEK293 cells in presence of Ca2+ by patch-clamp method
50019357	4	ChEMBL_2316621	Positive modulation of SK1 (unknown origin)
50019357	5	ChEMBL_2316622	Positive modulation of SK2 (unknown origin)
50019357	6	ChEMBL_2316623	Positive modulation of SK3 (unknown origin)
50019357	7	ChEMBL_2316633	Activation of SK3 (unknown origin) expressed in HEK293 cells coexpressing CaM/GFP in presence of Ca2+ by electrophysiological method
50019358	1	ChEMBL_2316654	Inhibition of USP28 (149 to 703 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ub-AMC as substrate by fluorescence based analysis
50019359	1	ChEMBL_2316683	Inhibition of human CYP2D6 measured after 40 mins in presence of NADPH by fluorescence based analysis
50019359	2	ChEMBL_2316684	Inhibition of recombinant SARS CoV-2 PL protease incubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence based analysis
50019359	3	ChEMBL_2316691	Inhibition of recombinant SARS CoV-2 PL protease assessed as deubiquitination activity using ubiquitinated fluorogenic as substrate incubated for 2 hrs followed by substrate addition for 1 hr by synergy TM HTX microplate reader analysis
50019359	4	ChEMBL_2316699	Inhibition of human CYP3A4 using midazolam as substrate measured after 30 mins in presence of NADPH by UPLC analysis
50019359	5	ChEMBL_2316700	Inhibition of human CYP2C9 measured after 30 mins in presence of NADPH by fluorescence based analysis
50019361	1	ChEMBL_2316736	Inhibition of N-terminal His6-tagged full length SARS-CoV-2 3CLpro using FAM-SAVLQ as substrate preincubated with enzyme for 1 hr followed by susbtrate addition and measured after 1 hr by FRET assay
50019361	2	ChEMBL_2316741	Inhibition of human thrombin
50019361	3	ChEMBL_2316742	Inhibition of human chymotrypsin
50019361	4	ChEMBL_2316743	Inhibition of human neutrophil elastase
50019361	5	ChEMBL_2316744	Inhibition of human Cathepsin B
50019361	6	ChEMBL_2316745	Inhibition of human Cathepsin D
50019361	7	ChEMBL_2316746	Inhibition of human Cathepsin G
50019361	8	ChEMBL_2316747	Inhibition of human Cathepsin L
50019362	1	ChEMBL_2316790	Inhibition of human Nav1.8 expressed in HEK293 cells at -80 mV holding potential by whole-cell patch-clamp technique
50019362	2	ChEMBL_2316800	Inhibition of Nav1.8 (unknown origin)
50019365	1	ChEMBL_2316894	Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 as a substrate by amplex red/HRP based fluorescence analysis
50019365	2	ChEMBL_2316895	Inhibition of C-terminal FLAG tagged recombinant human HDAC1 expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50019365	3	ChEMBL_2316906	Inhibition of C-terminal 6His-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50019365	4	ChEMBL_2316907	Inhibition of C-terminal His-tagged human HDAC5 catalytic domain (656 to 1122 residues) expressed in Sf9 insect cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50019365	5	ChEMBL_2316908	Inhibition of C-terminal FLAG-tagged human full length recombinant HDAC6 expressed in baculovirus expression system using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition by fluorescence based analysis
50019365	6	ChEMBL_2316909	Inhibition of C-terminal 6His-tagged human full length recombinant HDAC8 expressed in baculovirus expression system using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured for 240 mins by fluorescence based analysis
50019365	7	ChEMBL_2316910	Inhibition of N-terminal FLAG-tagged human recombinant MAO-A expressed in Sf9 cells preincubated for 15 mins followed by MAO substrate addition and measured after 60 mins by luminescence based analysis
50019365	8	ChEMBL_2316911	Inhibition of N-terminal FLAG-tagged human recombinant MAO-B expressed in Sf9 cells preincubated for 15 mins followed by MAO substrate addition and measured after 60 mins by luminescence based analysis
50019365	9	ChEMBL_2317023	Inhibition of LSD1 (unknown origin)
50019367	1	ChEMBL_2317047	Induction of GPX4 degradation in human HT-1080 cells measured after 24 hrs
50019368	1	ChEMBL_2317055	Inhibition of full length NanoLuc fused SIK1 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	2	ChEMBL_2317056	Inhibition of full length NanoLuc fused SIK2 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	3	ChEMBL_2317057	Inhibition of full length NanoLuc fused SIK3 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	4	ChEMBL_2317058	Binding affinity to SIK1 (unknown origin) transfected in HEK293 cells assessed as dissociation constant incubated for 1 hr by competitive binding assay
50019368	5	ChEMBL_2317059	Binding affinity to SIK2 (unknown origin) transfected in HEK293 cells assessed as dissociation constant incubated for 1 hr by competitive binding assay
50019368	6	ChEMBL_2317060	Binding affinity to SIK3 (unknown origin) transfected in HEK293 cells assessed as dissociation constant incubated for 1 hr by competitive binding assay
50019368	7	ChEMBL_2317076	Inhibition of full length NanoLuc fused RSK1b (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	8	ChEMBL_2317077	Inhibition of full length NanoLuc fused EPHA2 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	9	ChEMBL_2317078	Inhibition of full length NanoLuc fused ABL1 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	10	ChEMBL_2317079	Inhibition of full length NanoLuc fused JNK1 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	11	ChEMBL_2317080	Inhibition of full length NanoLuc fused EPHB1 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	12	ChEMBL_2317081	Inhibition of full length NanoLuc fused GAK (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	13	ChEMBL_2317082	Inhibition of full length NanoLuc fused EPHB3 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	14	ChEMBL_2317083	Inhibition of full length NanoLuc fused EPHA4 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	15	ChEMBL_2317084	Inhibition of full length NanoLuc fused EPHA1 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	16	ChEMBL_2317085	Inhibition of full length NanoLuc fused EPHA3 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	17	ChEMBL_2317086	Inhibition of full length NanoLuc fused EPHB2 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	18	ChEMBL_2317087	Inhibition of full length NanoLuc fused EPHB4 (unknown origin) transfected in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50019368	19	ChEMBL_2317104	Inhibition of full-length human ZAK using MBP as substrate in presence off ATP by competitive binding assay
50019369	1	ChEMBL_2317105	Binding affinity to human NTS1R assessed as dissociation constant
50019369	2	ChEMBL_2317106	Binding affinity to human NTSR1 transfected in HEK293 cells assessed as inhibition constant incubated for 60 mins in the presence of [Leu3H]NT(8-13) by radioligand competition binding assay
50019369	3	ChEMBL_2317107	Binding affinity to human NTSR2 transfected in HEK293 cells assessed as inhibition constant incubated for 60 mins in the presence of [Leu3H]NT(8-13) by radioligand competition binding assay
50019369	4	ChEMBL_2317110	Agonist activity at human NTSR1 expressed in HEK293 cells assessed as Galphaq-mediated modulation of IP production incubated for 90 mins by IP-one HTRF assay
50019370	1	ChEMBL_2317150	Inhibition of HDAC1 (unknown origin)
50019370	2	ChEMBL_2317151	Inhibition of HDAC6 (unknown origin)
50019370	3	ChEMBL_2317153	Inhibition of HDAC2 (unknown origin)
50019370	4	ChEMBL_2317154	Inhibition of HDAC3 (unknown origin)
50019370	5	ChEMBL_2317155	Inhibition of HDAC4 (unknown origin)
50019370	6	ChEMBL_2317156	Inhibition of HDAC5 (unknown origin)
50019370	7	ChEMBL_2317157	Inhibition of HDAC7 (unknown origin)
50019370	8	ChEMBL_2317158	Inhibition of HDAC8 (unknown origin)
50019370	9	ChEMBL_2317159	Inhibition of HDAC9 (unknown origin)
50019370	10	ChEMBL_2317160	Inhibition of HDAC10 (unknown origin)
50019370	11	ChEMBL_2317161	Inhibition of HDAC11 (unknown origin)
50019371	1	ChEMBL_2317247	Inhibition of Rac1 in human MDA-MB-435 cells incubated for 24 hrs by pull-down assay
50019371	2	ChEMBL_2317256	Binding affinity to Rac1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by fluorescence anisotropy assay
50019371	3	ChEMBL_2317257	Binding affinity to Rac1b (unknown origin) assessed as dissociation constant
50019371	4	ChEMBL_2317258	Binding affinity to Rac2 (unknown origin) assessed as dissociation constant
50019371	5	ChEMBL_2317259	Binding affinity to Rac3 (unknown origin) assessed as dissociation constant
50019371	6	ChEMBL_2317260	Inhibition of GTP-tagged recombinant Rac1 (unknown origin) PAK binding domain expressed in HEK293T cells by pull- down assay
50019371	7	ChEMBL_2317261	Binding affinity to Cdc42 (unknown origin) assessed as dissociation constant by fluorescence titration assay
50019371	8	ChEMBL_2317262	Binding affinity to CM-5 sensor chip immobilized Cdc42 (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019371	9	ChEMBL_2317264	Binding affinity to fluorescently labeled Cdc42 (unknown origin) assessed as dissociation constant by microscale thermophoresis assay
50019371	10	ChEMBL_2317265	Inhibition of GST-tagged wildtype Cdc42 (unknown origin) incubated for 2 hrs in presence of BODIPY FL GTP by flow cytometry
50019371	11	ChEMBL_2317266	Inhibition of GST-tagged wildtype Cdc42 (unknown origin) incubated for 2 hrs in presence of BODIPY FL GDP by flow cytometry
50019371	12	ChEMBL_2317268	Inhibition of RhoC geranylgeranylation in human UMSCC1 cells by G-LISA assay
50019371	13	ChEMBL_2317269	Inhibition of Rac1/Rac2/Rac3 P21-binding domain in human MDA-MB-231 cells incubated for 24 hrs by pulldown assay
50019371	14	ChEMBL_2317270	Inhibition of Cdc42 P21-binding domain in human MDA-MB-231 cells incubated for 24 hrs by pulldown assay
50019371	15	ChEMBL_2317271	Inhibition of Rac1 in human HeLa cells pretreated for 2 hrs followed by EGF stimulation for 2 mins by flow cytometric analysis
50019371	16	ChEMBL_2317272	Inhibition of CDC42 in human HeLa cells pretreated for 2 hrs followed by EGF stimulation for 2 mins by flow cytometric analysis
50019371	17	ChEMBL_2317273	Inhibition of CDC42 in human HeLa cells pretreated for 1 hr followed by EGF stimulation for 2 mins by flow cytometric analysis
50019371	18	ChEMBL_2317274	Inhibition of Rac1 in human HeLa cells pretreated for 1 hr followed by EGF stimulation for 2 mins by flow cytometric analysis
50019371	19	ChEMBL_2317275	Inhibition of N-terminal 6His-tagged human RHoA (1 to 181 residues) expressed Escherichia coli BL21 (DE3) cells assessed as GDP/GTP exchange rate incubated for 1hr by fluorescence based assay
50019372	1	ChEMBL_2317276	Inhibition of heparanase (unknown origin)
50019372	2	ChEMBL_2317279	Inhibition of human recombinant Heparanase
50019373	1	ChEMBL_2317305	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in presence of ATP by HTRF assay
50019373	2	ChEMBL_2317306	Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin) using TK as substrate incubated for 120 mins in presence of ATP by HTRF assay
50019373	3	ChEMBL_2317307	Inhibition of wild type EGFR (unknown origin) using TK as substrate incubated for 120 mins in presence of ATP by HTRF assay
50019375	1	ChEMBL_2317321	Inhibition of human recombinant MMP-2 (34 to 660 residues) expressed in CHO cells using (7-methoxycoumarin-4-y1)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitropheny1)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019375	2	ChEMBL_2317322	Inhibition of human recombinant MMP-9 (20 to 707 residues) Gln279Arg mutant expressed in CHO cells using (7-methoxycoumarin-4-y1)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitropheny1)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019375	3	ChEMBL_2317323	Inhibition of human recombinant MMP-8 (21 to 467 residues) expressed in NS0 cells using (7-methoxycoumarin-4-y1)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitropheny1)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019375	4	ChEMBL_2317324	Inhibition of human recombinant MMP-13 (20 to 471 residues) expressed in NS0 cells using (7-methoxycoumarin-4-y1)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitropheny1)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019375	5	ChEMBL_2317325	Inhibition of human recombinant MMP-12 (17 to 470 residues) Val97Leu mutant expressed in NS0 cells using (7-methoxycoumarin-4-y1)-acetyl-Pro-Leu-Gly-Leu-[3-(2,4-dinitropheny1)-L-2,3-diaminopropionyl]-Ala-Arg-NH2 as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 10 mins by fluorescence based analysis
50019378	1	ChEMBL_2317334	Inhibition of ACL (unknown origin) incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50019378	2	ChEMBL_2317335	Inhibition of ACC1 (unknown origin) preincubated for 30 mins followed by ATP addition measured for 60 mins by ADP-Glo luminescence assay
50019378	3	ChEMBL_2317336	Inhibition of ACL (unknown origin)
50019378	4	ChEMBL_2317337	Inhibition of ACC1 (unknown origin)
50019379	1	ChEMBL_2317338	Inhibition of acid mediated TTR V30M mutant aggregation (unknown origin) expressed in Escherichia coli preincubated for 30 mins followed by acetic buffer addition at pH 4.7 and measured after 7 days by thioflavin T based fluorescence analysis
50019379	2	ChEMBL_2317342	Binding affinity to thyroxin binding site of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as quenching of intrinsic tryptophan fluorescence by measuring apparent dissociation constant incubated for 60 mins by fluorescence based analysis
50019380	1	ChEMBL_2317357	Inhibition of human recombinant GADPH incubated for 30 mins by absorbance based assay
50019381	1	ChEMBL_2317458	Inhibition of YTHDF2 YTH domain (unknown origin) (383 to 579 residues) expressed as Escherichia coli BL21 (DE3) Rosetta cells by HTFR based binding assay
50019382	1	ChEMBL_2317467	Agonist activity at human TRPV1 overexpressed in HEK293 cells incubated for 1 hr by Fluo-4 AM dye based microscopic analysis
50019382	2	ChEMBL_2317468	Binding affinity to human TRPV1 assessed as dissociation constant by SPR analysis
50019383	1	ChEMBL_2317478	Inhibition of wild type HIV-1 reverse transcriptase RNase-associated RNase H activity using RNA/DNA template-primer as substrate
50019385	1	ChEMBL_2317559	Inhibition of FLT3 (unknown origin)
50019386	1	ChEMBL_2317604	Inhibition of human recombinant IDO1 incubated for 1 hr by HPLC analysis
50019386	2	ChEMBL_2317605	Inhibition of human recombinant TDO incubated for 1 hr by HPLC analysis
50019387	1	ChEMBL_2317618	Inhibition of human GST-tagged MUS81-ECE1 expressed in Escherichia coli BL21(DE3)Rosetta2 cells incubated for 15 mins by FRET based assay
50019387	2	ChEMBL_2317619	Inhibition of human GST-tagged MUS81-ECE2 expressed in Escherichia coli BL21(DE3)Rosetta2 cells incubated for 15 mins by FRET based assay
50019387	3	ChEMBL_2317628	Binding affinity to human GST-tagged MUS81-ECE1 expressed in Escherichia coli BL21(DE3)Rosetta2 cells assessed as dissociation constant by Surface plasmon resonance analysis
50019387	4	ChEMBL_2317631	Binding affinity to human GST-tagged MUS81-ECE2 expressed in Escherichia coli BL21(DE3)Rosetta2 cells assessed as dissociation constant by Surface plasmon resonance analysis
50019388	1	ChEMBL_2317645	Inhibition of human ATX by using LPC as substrate by choline release assay
50019388	2	ChEMBL_2317647	Inhibition of human ATX using LPC as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins by choline release assay
50019388	3	ChEMBL_2317648	Inhibition of recombinant human ATX expressed in Sf9 cells using FS-3 as substrate measured after 1 hrs by fluorescence based assay
50019388	4	ChEMBL_2317649	Inhibition of human ATX using LPC as substrate measured after 2 hrs by fluorescence based choline release assay
50019388	5	ChEMBL_2317650	Inhibition of human ATX using FS-3 as substrate measured after 1 hrs by fluorescence based choline release assay
50019388	6	ChEMBL_2317651	Inhibition of ATX (unknown origin) using lysoPLD as substrate
50019388	7	ChEMBL_2317652	Inhibition of ATX in human blood
50019388	8	ChEMBL_2317653	Inhibition of ATX in mouse plasma
50019388	9	ChEMBL_2317654	Inhibition of human ATX using LPC as substrate assessed as choline release measured after 1.5 hrs by fluorescence based assay
50019388	10	ChEMBL_2317655	Inhibition of ATX (unknown origin) using FS-3 as substrate
50019390	1	ChEMBL_2317657	Inhibition of EGFR L858R/T790M mutant (unknown origin) by mobility shift assay
50019390	2	ChEMBL_2317658	Inhibition of wild type EGFR (unknown origin) by mobility shift assay
50019390	3	ChEMBL_2317696	Inhibition of JAK2 (unknown origin)
50019390	4	ChEMBL_2317697	Inhibition of ROS1 (unknown origin)
50019390	5	ChEMBL_2317698	Inhibition of FLT3 (unknown origin)
50019390	6	ChEMBL_2317699	Inhibition of FLT4 (unknown origin)
50019390	7	ChEMBL_2317700	Inhibition of PDGFRalpha (unknown origin)
50019391	1	ChEMBL_2317713	Binding affinity to RIPK3 (unknown origin)
50019391	2	ChEMBL_2317714	Binding affinity to RIPK1 (unknown origin)
50019392	1	ChEMBL_2317734	Inhibition of STAT3 phosphorylation (unknown origin)
50019393	1	ChEMBL_2317751	Inhibition of BRD4 BD1 (unknown origin) incubated for 15 mins by TR-FRET method
50019393	2	ChEMBL_2317753	Inhibition of EZH2 (unknown origin)
50019394	1	ChEMBL_2317826	Inhibition of HIF-2alpha transcriptional activity in human 786-0 cells transfected with HRE-luc2P assessed as decrease in luminescence incubated for 48 hrs by luciferase reporter assay
50019394	2	ChEMBL_2317827	Inhibition of HIF-2alpha transcriptional activity in human 786-0 cells assessed as decrease in VEGF production incubated for 48 hrs by ELISA
50019394	3	ChEMBL_2317828	Binding affinity to human recombinant HIF-2alpha (240 to 350 residues) assessed as as dissociation constant by ITC analysis
50019395	1	ChEMBL_2317870	Inhibition of JAK1 JH1 domain (unknown origin) in presence of 1 mM of ATP
50019395	2	ChEMBL_2317871	Inhibition of JAK2 JH1 domain (unknown origin) in presence of 1 mM of ATP
50019395	3	ChEMBL_2317872	Inhibition of JAK3 JH1 domain (unknown origin) in presence of 1 mM of ATP
50019395	4	ChEMBL_2317873	Inhibition of TYK2 JH1 domain (unknown origin) in presence of 1 mM of ATP
50019395	5	ChEMBL_2317874	Inhibition of JAK1 JH1 domain (unknown origin) in presence of 10 uM of ATP
50019395	6	ChEMBL_2317875	Inhibition of JAK2 JH1 domain (unknown origin) in presence of 10 uM of ATP
50019395	7	ChEMBL_2317876	Inhibition of JAK3 JH1 domain (unknown origin) in presence of 10 uM of ATP
50019395	8	ChEMBL_2317877	Inhibition of TYK2 JH1 domain (unknown origin) in presence of 10 uM of ATP
50019395	9	ChEMBL_2317878	Binding affinity to JAK1 JH1 domain (unknown origin)
50019395	10	ChEMBL_2317879	Binding affinity to JAK2 JH1 domain (unknown origin)
50019395	11	ChEMBL_2317880	Binding affinity to JAK3 JH1 domain (unknown origin)
50019395	12	ChEMBL_2317881	Binding affinity to TYK2 JH1 domain (unknown origin)
50019395	13	ChEMBL_2317882	Inhibition of TYK2 JH2 domain (unknown origin) by HTRF based binding assay
50019395	14	ChEMBL_2317883	Inhibition of TYK2 JH2 domain (unknown origin) in presence of 10 uM of ATP
50019395	15	ChEMBL_2317884	Binding affinity to human wild type TYK2 JH2 domain (G556/D888) expressed in mammalian expression system
50019395	16	ChEMBL_2317885	Inhibition of PDE4D (unknown origin) assessed as enzyme activity by transcreener AMP2/GMP2 FP PDE assay
50019395	17	ChEMBL_2317886	Inhibition of TYK2 in human PBMC cells assessed as IL-12 induced phosphorylation of STAT4 level
50019395	18	ChEMBL_2317890	Inhibition of JAK in human PBMC cells assessed as GM-CSF-induced phosphorylation of STAT5 level
50019395	19	ChEMBL_2317891	Inhibition of JAK in human PBMC cells assessed as IL-12-induced phosphorylation of STAT5 level
50019395	20	ChEMBL_2317895	Inhibition of PDE4D (unknown origin)
50019395	21	ChEMBL_2317896	Inhibition of human CYP3A4 using midazolam as substrate
50019395	22	ChEMBL_2317897	Inhibition of human CYP3A4 using testosterone as substrate
50019395	23	ChEMBL_2317898	Inhibition of human CYP2D6
50019395	24	ChEMBL_2317899	Inhibition of human CYP2C9
50019395	25	ChEMBL_2317900	Inhibition of human CYP2C19
50019395	26	ChEMBL_2317901	Inhibition of human CYP1A2
50019395	27	ChEMBL_2317928	Inhibition of JAK1 JH1 domain (unknown origin) by HTRF based binding assay
50019395	28	ChEMBL_2317929	Inhibition of JAK2 JH1 domain (unknown origin) by HTRF based binding assay
50019395	29	ChEMBL_2317930	Inhibition of JAK3 JH1 domain (unknown origin) by HTRF based binding assay
50019395	30	ChEMBL_2317931	Inhibition of TYK2 JH1 domain (unknown origin) by HTRF based binding assay
50019395	31	ChEMBL_2317936	Inhibition of hERG by patch clamp assay
50019395	32	ChEMBL_2317937	Binding affinity to mouse TYK2 JH2 domain assessed as dissociation constant
50019395	33	ChEMBL_2317938	Binding affinity to human JAK1 JH2 domain assessed as dissociation constant
50019395	34	ChEMBL_2317939	Binding affinity to human JAK2 JH2 domain assessed as dissociation constant
50019395	35	ChEMBL_2317940	Inhibition of TYK2 dependent IFNalpha-stimulated STAT3 phosphorylation in human PBMC
50019395	36	ChEMBL_2317944	Inhibition of Jak2 in human PBMC assessed as inhibition of GM-CSF-stimulated phosphorylation of STAT5
50019395	37	ChEMBL_2317945	Inhibition of JAK2 dependent TPO stimulated STAT5 phosphorylation in human TF-1 cells
50019395	38	ChEMBL_2317946	Inhibition of JAK1/JAK3 in human PBMC assessed as inhibition of IL2-stimulated phosphorylation of STAT5
50019395	39	ChEMBL_2317947	Inhibition of JAK1/JAK3 in CD3+ human PBMC assessed as inhibition of IL4-stimulated phosphorylation of STAT6
50019395	40	ChEMBL_2317948	Inhibition of JAK1/JAK2 in CD3+ human PBMC assessed as inhibition of IL6-stimulated phosphorylation of STAT3
50019395	41	ChEMBL_2317950	Inhibition of JAK1/JAK2 in CD3+ human HT-29 cells assessed as inhibition of IL22-stimulated phosphorylation of STAT3
50019395	42	ChEMBL_2317951	Inhibition of JAK1/JAK2 in IFNgamma-induced human HEK-dual cells by SEAP assay
50019395	43	ChEMBL_2317955	Binding affinity to TYK2 JH2 domain (unknown origin) assessed as dissociation constant
50019396	1	ChEMBL_2317956	Inhibition of VEGFR1 (unknown origin)
50019396	2	ChEMBL_2317957	Inhibition of VEGFR2 (unknown origin)
50019396	3	ChEMBL_2317958	Inhibition of VEGFR3 (unknown origin)
50019398	1	ChEMBL_2318050	Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-pNA as substrate by spectrofluorometry assay
50019398	2	ChEMBL_2318054	Inhibition of Pin1 (unknown origin) assessed as inhibition constant
50019398	3	ChEMBL_2318055	Inhibition of Gst-tagged human Pin1 by Western blot analysis
50019398	4	ChEMBL_2318056	Inhibition of Gst-tagged human Pin1 assessed as inhibition constant by Western blot analysis
50019398	5	ChEMBL_2318058	Inhibition of Pin1 (unknown origin)
50019398	6	ChEMBL_2318059	Inhibition of Pin1 (unknown origin) by fluorescence anisotropy binding assay
50019398	7	ChEMBL_2318061	Inhibition of full length human Pin1 expressed in Escherichia coli assessed as dissociation constant by fluorescence anisotropy binding assay
50019398	8	ChEMBL_2318062	Inhibition of human Pin1 measured after 30 mins by fluorescence based assay
50019398	9	ChEMBL_2318063	Inhibition of human Pin1 using Suc-Ala-Glu-Pro-Phe-MCA as substrate by fluorescence based microtitre plate analysis
50019398	10	ChEMBL_2318065	Inhibition of human Pin1 assessed as inhibition constant
50019398	11	ChEMBL_2318066	Inhibition of human Pin1
50019398	12	ChEMBL_2318067	Inhibition of Gst-tagged human Pin1by FP assay
50019398	13	ChEMBL_2318068	Inhibition of human Pin1 using Suc-AEPF-NH-Np as substrate
50019398	14	ChEMBL_2318071	Inhibition of recombinant human Pin1 assessed as inhibition constant measured upto 180 mins
50019398	15	ChEMBL_2318074	Inhibition of Gst-tagged human Pin1 assessed as inhibition constant measured after 12 hrs by FP binding assay
50019398	16	ChEMBL_2318075	Inhibition of Gst-tagged human Pin1 assessed as inhibition constant measured after 14 hrs by FP binding assay
50019400	1	ChEMBL_2318116	Binding affinity to human mGluR2 expressed in cell membrane incubated for 1 hr in presence of tritium labeled [3H]-7-((2,5-dioxopyrrolidin-1-yl)methyl)-4-(4-fluorophenyl)quinoline-2-carboxamide by competitive radioligand binding assay
50019400	2	ChEMBL_2318122	Binding affinity to mGluR1 (unknown origin) by FLIPR assay
50019400	3	ChEMBL_2318123	Binding affinity to mGluR3 (unknown origin) by FLIPR assay
50019400	4	ChEMBL_2318124	Binding affinity to mGluR2 (unknown origin) FLIPR assay
50019400	5	ChEMBL_2318125	Binding affinity to mGluR4 (unknown origin) by FLIPR assay
50019400	6	ChEMBL_2318126	Binding affinity to mGluR5 (unknown origin) by FLIPR assay
50019400	7	ChEMBL_2318127	Binding affinity to mGluR6 (unknown origin) by FLIPR assay
50019400	8	ChEMBL_2318128	Binding affinity to mGluR8 (unknown origin) by FLIPR assay
50019400	9	ChEMBL_2318129	Binding affinity to guinea pig adenosine transporter
50019400	10	ChEMBL_2318139	Inhibition of Cav1.2 (unknown origin)
50019400	11	ChEMBL_2318140	Inhibition of Nav1.5 (unknown origin)
50019401	1	ChEMBL_2318148	Inhibition of SIK2 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins
50019401	2	ChEMBL_2318149	Inhibition of SIK1 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins
50019401	3	ChEMBL_2318150	Inhibition of SIK3 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins
50019401	4	ChEMBL_2318162	Inhibition of human CYP1A2 by LC-MS/MS analysis
50019401	5	ChEMBL_2318171	Inhibition of human CYP2C9 by LC-MS/MS analysis
50019401	6	ChEMBL_2318172	Inhibition of human CYP2C19 by LC-MS/MS analysis
50019401	7	ChEMBL_2318173	Inhibition of human CYP3A4 using midazolam as substrate by LC-MS/MS analysis
50019401	8	ChEMBL_2318178	Inhibition of SIK2 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins in presence of 1 mM ATP
50019401	9	ChEMBL_2318179	Inhibition of SIK1 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins in presence of 1 mM ATP
50019401	10	ChEMBL_2318180	Inhibition of SIK3 (unknown origin) using AMARA as substrate buffer incubated for 60 mins followed by addition of ADP-Glo reagent further incubated for 60 mins in presence of 1 mM ATP
50019402	1	ChEMBL_2318181	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated with compound for 20 mins followed by substrate addition and measured after 240 sec by spectrophotometer based Ellman's method
50019402	2	ChEMBL_2318182	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated with compound for 20 mins followed by substrate addition and measured after 240 sec by spectrophotometer based Ellman's method
50019403	1	ChEMBL_2318189	Negative allosteric modulator activity at human Pancreatic lipase using DDAO-ol as fluorescent substrate preincubated for 3 mins followed by substrate addition measured after 20 mins by microplate reader assay
50019403	2	ChEMBL_2318190	Negative allosteric modulator activity at human Pancreatic lipase assessed as inhibition of PL-mediated DDAO-ol hydrolysis by measuring inhibition constant using DDAO-ol as fluorescent substrate by Lineweaver-Burk plot analysis
50019403	3	ChEMBL_2318193	Inhibition of Pancreatic lipase (unknown origin) using 4-MUO as fluorescent substrate preincubated for 3 mins followed by substrate addition measured after 20 mins by microplate reader assay
50019404	1	ChEMBL_2318204	Binding affinity to FLAG-tagged human TIMP3 expressed in HEK293 cells assessed as dissociation constant
50019405	1	ChEMBL_2318223	Binding affinity to SMARCA2 (unknown origin)
50019405	2	ChEMBL_2318224	Binding affinity to SMARCA4 (unknown origin)
50019406	1	ChEMBL_2318347	Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphorylation
50019406	2	ChEMBL_2318348	Inhibition of human HPK1 in human T cells assessed as increase in IL-2 secretion
50019406	3	ChEMBL_2318349	Inhibition of full-length human GST-tagged HPK1 expressed in baculovirus infected Sf21 insect cells using MBP and ATP as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins by ADP-Glo reagent based assay
50019406	4	ChEMBL_2318350	Inhibition of human HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphorylation at Ser376 residue preincubated for 60 mins followed by alphaCD3/alphaCD28 DynabeadsTM stimulation for 15 mins by AlphaLISA assay
50019406	5	ChEMBL_2318351	Inhibition of human HPK1 in anti-humanCD3/anti-humanCD28 stimulated human CD3-positive T cells assessed as increase in IL-2 release incubated for 48 hrs by AlphaLISA assay
50019406	6	ChEMBL_2318358	Inhibition of GLK (unknown origin)
50019406	7	ChEMBL_2318366	Inhibition of mouse HPK1 in mouse EL4 cells assessed as increase in IL-2 release preincubated for 60 mins followed by alphaCD3/alphaCD28 DynabeadsTM stimulation for 30 mins and measured after 12 hrs by HTRF assay
50019408	1	ChEMBL_2318390	Induction of N-terminal 6xHis-tagged GST-fused human Her3 degradation expressed in baculovirus infected insect cells measured after 3 hrs by FRET analysis
50019408	2	ChEMBL_2318394	Inhibition of human EZH2 using core histone as substrate in presence of SAM
50019409	1	ChEMBL_2318402	Binding affinity to MLKL (unknown origin)
50019410	1	ChEMBL_2318425	Displacement of [3H]-(+)-pentazocine from rat liver homogenate S1R incubated for 120 mins by liquid scintillation counting method
50019410	2	ChEMBL_2318426	Displacement of [3H]-(+)-DTG from rat liver homogenate S2R incubated for 120 mins by liquid scintillation counting method
50019410	3	ChEMBL_2318456	Inhibition of human ERG expressed in CHO-K1 cells
50019410	4	ChEMBL_2318458	Displacement of [3H]-(+)-pentazocine from rat brain homogenate S1R
50019410	5	ChEMBL_2318459	Displacement of [3H]-(+)-DTG from rat brain homogenate S2R
50019410	6	ChEMBL_2318460	Binding affinity to S1R (unknown origin)
50019410	7	ChEMBL_2318461	Binding affinity to S2R (unknown origin)
50019411	1	ChEMBL_2318462	Inhibition of GSK-3beta (unknown origin)
50019411	2	ChEMBL_2318463	Binding affinity to GSK-3beta (unknown origin) expressed in Sf21 cells assessed as dissociation constant
50019411	3	ChEMBL_2318464	Inhibition of GSK-3beta (unknown origin) expressed in Sf21 cells
50019411	4	ChEMBL_2318465	Binding affinity to human full length GSK-3 beta transfected in Sf21 cells assessed as inhibition constant measured after 6 hrs by scintillation method
50019411	5	ChEMBL_2318466	Binding affinity to GSK-3beta (unknown origin) assessed as dissociation constant
50019411	6	ChEMBL_2318467	Inhibition of N-terminal His6-tagged GSK-3 beta (unknown origin) expressed in Rosetta 2DE3 cells
50019411	7	ChEMBL_2318468	Inhibition of human GSK-3beta
50019411	8	ChEMBL_2318469	Inhibition of human wildtype full length GSK-3beta
50019411	9	ChEMBL_2318470	Inhibition of his-tagged human recombinant GSK-3beta expressed in baculovirus infected Sf9 insect cells using peptide as substrate preincubated for 30 mins in presence of [33P]gamma-ATP by microbeta scintillation counting analysis
50019411	10	ChEMBL_2318471	Inhibition of human recombinant GSK-3beta
50019411	11	ChEMBL_2318472	Inhibition of GSK-3beta (unknown origin) expressed in Sf9 cells by spectrometry based analysis
50019411	12	ChEMBL_2318474	Binding affinity to full length GST-tagged human recombinant GSK-3beta (1 to 420 residues) expressed in Escherichia coli assessed as inhibition constant
50019411	13	ChEMBL_2318475	Inhibition of full length GST-tagged human recombinant GSK-3beta (1 to 420 residues) expressed in Escherichia coli
50019411	14	ChEMBL_2318476	Inhibition of GSK-3beta (unknown origin) incubated for 1 hr by HTRF assay
50019413	1	ChEMBL_2318477	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells
50019413	2	ChEMBL_2318478	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells
50019414	1	ChEMBL_2318482	Inhibition of Schistosoma japonicum GST by spectrophotometric analysis
50019414	2	ChEMBL_2318483	Inhibition of human GSTM2 by spectrophotometric analysis
50019415	1	ChEMBL_2318515	Binding affinity to PCLAF (unknown origin) assessed as equilibrium dissociation constant by SPR assay
50019416	1	ChEMBL_2318522	Agonist activity at human PPARdelta (138 to 441 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	2	ChEMBL_2318524	Agonist activity at human PPARalpha (167 to 468 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	3	ChEMBL_2318527	Agonist activity at human PPARgamma (182 to 505 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	4	ChEMBL_2318530	Agonist activity at mouse PPARdelta (138 to 441 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	5	ChEMBL_2318532	Agonist activity at mouse PPARalpha (167 to 468 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	6	ChEMBL_2318535	Agonist activity at mouse PPARgamma (182 to 505 residues) expressed in CHO-K1 cells co-transfected with GAL4 and pGluc reporter gene plasmid assessed as receptor transactivation incubated for 24 to 28 hrs by luciferase reporter gene assay
50019416	7	ChEMBL_2318538	Inhibition of CYP2D6 (unknown origin)
50019416	8	ChEMBL_2318539	Inhibition of CYP1A2 (unknown origin)
50019416	9	ChEMBL_2318540	Inhibition of CYP2C9 (unknown origin)
50019416	10	ChEMBL_2318541	Inhibition of CYP3A4 (unknown origin)
50019417	1	ChEMBL_2318603	Binding affinity to human partial length BRD7 bromodomain (125 to 254 residues) expressed in mammalian expression system by BROMOscan KdELECT analysis
50019417	2	ChEMBL_2318607	Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombinant BRD7 bromodomain expressed in Escherichia coli BL21(DE3) by competitive fluorescence polarization assay
50019417	3	ChEMBL_2318608	Displacement of FAM-labeled BI-FAMb from N-terminal His TEV-tagged human recombinant BRD9 bromodomain expressed in Escherichia coli BL21(DE3) by competitive fluorescence polarization assay
50019417	4	ChEMBL_2318610	Binding affinity to N-terminal His TEV-tagged human recombinant BRD7 bromodomain expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assay
50019417	5	ChEMBL_2318613	Binding affinity to human partial length BRD9 bromodomain (130 to 259 residues) expressed in bacterial expression system by BROMOscan KdELECT analysis
50019417	6	ChEMBL_2318616	Displacement of NanoBRET BRD Tracer-02 from Nanoluc-fused BRD7 bromodomain (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50019417	7	ChEMBL_2318617	Displacement of NanoBRET BRD Tracer-02 from Nanoluc-fused BRD9 bromodomain (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50019419	1	ChEMBL_2318693	Inhibition of hERG in HEK293 cells by whole-cell manual patch clamp technique
50019420	1	ChEMBL_2318790	Displacement of [3H]SAM from PRMT1 (unknown origin) preincubated for 15 mins followed by [3H]SAM addition measured after 60 mins by radiometric/luminescence based assay
50019422	1	ChEMBL_2318821	Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured after 20 mins by turbidimetric analysis
50019423	1	ChEMBL_2318845	Inhibition of HDAC1 (unknown origin)
50019423	2	ChEMBL_2318846	Inhibition of HDAC6 (unknown origin)
50019423	3	ChEMBL_2318847	Inhibition of HDAC8 (unknown origin)
50019423	4	ChEMBL_2318851	Inhibition of tubulin polymerization of pig brain by absorbance based assay
50019424	1	ChEMBL_2318902	Competitive Inhibition of TNF-alpha binding to human recombinant TNFR1 incubated for 1 hr by ELISA analysis
50019424	2	ChEMBL_2318903	Competitive Inhibition of TNF-alpha binding to human recombinant TNFR2 incubated for 1 hr by ELISA analysis
50019425	1	ChEMBL_2318920	Displacement of [3H]N/OFQ from human NOP expressed in CHO cells membrane incubated for 60 mins by beta liquid scintillation counting method
50019425	2	ChEMBL_2318921	Displacement of [3H]-DAMGO from human MOP expressed in CHO cells membrane incubated for 60 mins by beta liquid scintillation counting method
50019425	3	ChEMBL_2318922	Displacement of [3H]-U69593 from human KOP expressed in CHO cells membrane incubated for 60 mins by beta liquid scintillation counting method
50019425	4	ChEMBL_2318923	Displacement of [3H]DPDPE from human DOP expressed in CHO cells membrane incubated for 60 mins by beta liquid scintillation counting method
50019425	5	ChEMBL_2318925	Agonist activity at human NOP expressed in CHO cells membrane assessed as increase in [35S]GTPgammaS binding incubated for 60 mins
50019425	6	ChEMBL_2318927	Agonist activity at human MOP expressed in CHO cells membrane assessed as increase in [35S]GTPgammaS binding incubated for 60 mins
50019425	7	ChEMBL_2318929	Agonist activity at human DOP expressed in CHO cells membrane assessed as increase in [35S]GTPgammaS binding incubated for 60 mins
50019425	8	ChEMBL_2318931	Agonist activity at human KOP expressed in CHO cells membrane assessed as increase in [35S]GTPgammaS binding incubated for 60 mins
50019426	1	ChEMBL_2319006	Inhibition of JAK2 V617F mutant in human SET2 cells
50019426	2	ChEMBL_2319007	Inhibition of JAK2 V617F mutant in mouse BaF3 cells
50019426	3	ChEMBL_2319008	Inhibition of FLT3 in human MOLM-13 cells
50019426	4	ChEMBL_2319011	Inhibition of JAK1 (unknown origin) in presence of Mg/ATP mixture by [gamma p33]-ATP based radiometric assay
50019426	5	ChEMBL_2319012	Inhibition of JAK2 (unknown origin) in presence of Mg/ATP mixture by [gamma p33]-ATP based radiometric assay
50019426	6	ChEMBL_2319013	Inhibition of JAK3 (unknown origin) in presence of Mg/ATP mixture by [gamma p33]-ATP based radiometric assay
50019426	7	ChEMBL_2319014	Inhibition of TYK2 (unknown origin) in presence of Mg/ATP mixture by [gamma p33]-ATP based radiometric assay
50019426	8	ChEMBL_2319015	Inhibition of FLT3 (unknown origin) in presence of Mg/ATP mixture by [gamma p33]-ATP based radiometric assay
50019427	1	ChEMBL_2319123	Inhibition of Staphylococcus aureus DNA gyrase incubated for 30 mins in presence of relaxed plasmid DNA by supercoiling based gel electrophoresis analysis
50019427	2	ChEMBL_2319124	Inhibition of Staphylococcus aureus DNA topoisomerase 4 using supercoiled plasmid DNA as substrate
50019427	3	ChEMBL_2319125	Inhibition of Staphylococcus aureus DHFR preincubated for 5 mins followed by dihydrofolic acid addition and measured for 10 mins by absorbance based assay
50019428	1	ChEMBL_2319197	Activation of Staphylococcus aureus ClpP assessed as beta-casein digestion using beta-casein/FITC casein as substrate incubated for 24 hrs
50019429	1	ChEMBL_2319202	Inhibition of N-terminal 6His-SUMO2 fusion protein tagged full length human cGAS (1 to 522 residues) expressed in Escherichia coli Rosetta 2 (DE3) cells incubated for 90 mins by pyrophosphatase-coupled assay
50019429	2	ChEMBL_2319203	Inhibition of mouse cGAS by ATP consumption assay
50019429	3	ChEMBL_2319204	Displacement of F-c-di-GMP from human STING expressed in Escherichia coli Rosetta 2(pLysS) cells at 20 uM incubated for 5 mins by fluorescence polarization assay
50019430	1	ChEMBL_2319277	Inhibition of recombinant Plasmodium falciparum 3D7 FP2
50019431	1	ChEMBL_2319302	Agonist activity at GAL4-tagged PPARalpha in human RPTEC assessed as transcriptional activation incubated for 72 hrs under normoxic condition by luciferase assay
50019431	2	ChEMBL_2319303	Agonist activity at GAL4-tagged PPARalpha in human A498 cells assessed as transcriptional activation incubated for 72 hrs under hypoxic condition by luciferase assay
50019431	3	ChEMBL_2319304	Agonist activity at GAL4-tagged PPARalpha in human WPMY-1 cells assessed as transcriptional activation incubated for 72 hrs under normoxic condition by luciferase assay
50019431	4	ChEMBL_2319305	Agonist activity at GAL4-tagged PPARalpha in human DU-145 cells assessed as transcriptional activation incubated for 72 hrs under hypoxic condition by luciferase assay
50019432	1	ChEMBL_2319313	Inhibition of Escherichia coli DNA gyrase
50019433	1	ChEMBL_2319394	Inhibition of C-terminal His-tagged human recombinant PARP-1 (1 to 1014 residues) expressed in Sf9 insect cells incubated for 1 hr by 32P-NAD+-based filter binding assay
50019434	1	ChEMBL_2319459	Binding affinity to HIV-1 NL4-3 monomeric capsid protein by SPR analysis
50019434	2	ChEMBL_2319460	Binding affinity to HIV-1 NL4-3 hexameric capsid protein by SPR analysis
50019435	1	ChEMBL_2319559	Inhibition of human recombinant DPP-4 using H-GlyPro-AMC as substrate incubated for 10 mins by fluorescence based assay
50019435	2	ChEMBL_2319560	Inhibition of N-terminal GST/His-tagged human recombinant DPP-8 (1 to 898 residues) expressed in Sf9 insect cells using Ala-Pro-AMC dipeptide as substrate by fluorescence based assay
50019435	3	ChEMBL_2319561	Inhibition of N-terminal GST-tagged human recombinant DPP-9 short form (1 to 863 residues) expressed in Sf9 cells using Ala-Pro-AMC dipeptide as substrate by fluorescence based assay
50019437	1	ChEMBL_2319698	Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 24 hrs at 4 degree C with TEAD4 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019437	2	ChEMBL_2319703	Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 0.5 hrs at 4 degree C with TEAD4 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019437	3	ChEMBL_2319704	Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 6 hrs at 4 degree C with TEAD4 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019437	4	ChEMBL_2319705	Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 48 hrs at 4 degree C with TEAD4 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019437	5	ChEMBL_2319710	Covalent inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction assessed as protein-compound adduct formation by measuring inhibition constant at 100 uM incubated for 0.5 to 6 hrs at 4 degree C followed by mass spectrometry analysis
50019437	6	ChEMBL_2319713	Inhibition of TEAD1 (209 to 426 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 24 hrs at 4 degree C with TEAD1 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019437	7	ChEMBL_2319715	Inhibition of TEAD2 (217 to 447 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 residues)(unknown origin) protein-protein interaction preincubated for 24 hrs at 4 degree C with TEAD1 followed by fluorescent labelled YAP1 addition by fluorescence polarization assay
50019438	1	ChEMBL_2319779	Displacement of [3H](+)-pentazocine from rat liver homogenates sigma 1 receptor assessed as inhibition constant by radioligand binding assay
50019438	2	ChEMBL_2319780	Displacement of [H3]DTG from rat liver homogenates sigma 2 receptor assessed as inhibition constant by radioligand binding assay
50019439	1	ChEMBL_2319783	Inhibition of human N-terminal His-tagged aurora A assessed as inhibition constant incubated for 15 mins using Histone H3 as substrate in presence [gamma32P]-ATP by scintillation counter method
50019439	2	ChEMBL_2319784	Inhibition of human N-terminal His-tagged aurora B assessed as inhibition constant incubated for 15 mins using Histone H3 as substrate in presence [gamma32P]-ATP by scintillation counter method
50019439	3	ChEMBL_2319785	Inhibition of human N-terminal His-tagged aurora C assessed as inhibition constant incubated for 15 mins using Histone H3 as substrate in presence [gamma32P]-ATP by scintillation counter method
50019439	4	ChEMBL_2319786	Inhibition of His-tagged PLK4 (1 to 269 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition constant incubated for 1 hrs using TPSDSLIYDDGLS as substrate in presence [gamma32P]-ATP by TopCount scintillation counter method
50019439	5	ChEMBL_2319787	Inhibition of PLK4 (unknown origin) by LanthaScreen Eu kinase binding assay
50019439	6	ChEMBL_2319788	Inhibition of PLK4 (unknown origin)
50019439	7	ChEMBL_2319789	Inhibition of human recombinant PLK4 incubated for 1 hrs by LanthaScreen Eu kinase FRET assay
50019440	1	ChEMBL_2319809	Binding affinity to biotinylated recombinant SARS-CoV-2 spike protein RBD assessed as dissociation constant measured after 240 secs by biolayer interferometry assay
50019440	2	ChEMBL_2319810	Binding affinity to his tagged recombinant SARS-CoV-2 B1.617.2 (Delta) spike protein assessed as dissociation constant measured after 240 secs by biolayer interferometry assay
50019441	1	ChEMBL_2319839	Inhibition of human CYP11B1 stably transfected in mouse Y-1 cells using deoxycortisol or deoxycorticosterone as substrate incubated for 48 hrs by radioimmuno assay
50019441	2	ChEMBL_2319840	Inhibition of human CYP11B2 stably transfected in mouse Y-1 cells using deoxycortisol or deoxycorticosterone as substrate incubated for 48 hrs by radioimmuno assay
50019441	3	ChEMBL_2319842	Inhibition of human CYP11B1 expressed in human NCI-H295 cells incubated for 48 hrs by radioimmuno assay
50019441	4	ChEMBL_2319843	Inhibition of human CYP11B2 expressed in human NCI-H295 cells incubated for 48 hrs by radioimmuno assay
50019443	1	ChEMBL_2319960	Inhibition of his-tagged SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Abz-SVTLQSG-Y(NO2)-R as substrate incubated for 10 mins by FRET assay
50019443	2	ChEMBL_2319961	Inhibition of SARS-CoV-2 MPro assessed as inhibition constant by FRET assay
50019443	3	ChEMBL_2319963	Inhibition of SARS-CoV-2 MPro
50019443	4	ChEMBL_2319966	Inhibition of SARS-CoV-2 MPro using MCAAVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate incubated for 10 mins by FRET assay
50019444	1	ChEMBL_2319971	Binding affinity to RIOK2 (unknown origin) assessed as dissociation constant
50019444	2	ChEMBL_2319972	Binding affinity to RIOK2 (unknown origin) assessed as dissociation constant by KdELECT assay
50019444	3	ChEMBL_2319973	Inhibition of NLuc-tagged RIOK2 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50019444	4	ChEMBL_2319974	Binding affinity to human RIOK2 assessed as dissociation constant by KINOMEscan assay
50019444	5	ChEMBL_2319979	Binding affinity to RIOK2 (unknown origin) assessed as dissociation constant by KINOMEscan assay
50019445	1	ChEMBL_2320018	Binding affinity to his sumo tagged N-terminal WDR5 (23 to 483 residues) (unknown origin) incubated for 3 hrs by HTRF binding assay
50019445	2	ChEMBL_2320019	Binding affinity to recombinant full length WDR5 (unknown origin) expressed in Escherichia coli BL21 DE3 Rosetta 2 cells assessed as dissociation constant by fluorescence polarization assay
50019446	1	ChEMBL_2320097	Binding affinity to Mycobacterium tuberculosis InhA assessed as inhibition constant
50019446	2	ChEMBL_2320102	Binding affinity to Mycobacterium tuberculosis InhA
50019446	3	ChEMBL_2320106	Binding affinity to Mycobacterium smegmatis MmpL3 by surface plasmon resonance assay
50019446	4	ChEMBL_2320118	Binding affinity to Mycobacterium tuberculosis H37Rv ATCC 25618 MbtA assessed as apparent binding constant
50019447	1	ChEMBL_2320127	Inhibition of CYP1B1 (unknown origin) by EROD assay
50019447	2	ChEMBL_2320128	Inhibition of CYP1A1 (unknown origin)
50019447	3	ChEMBL_2320129	Inhibition of CYP1A2 (unknown origin)
50019448	1	ChEMBL_2320180	Chaperone activity at GCase N370S GBA mutant in patient derived fibroblast cells using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate incubated for 5 days by fluorescence based analysis
50019448	2	ChEMBL_2320185	Inhibition of GCase N370S GBA mutant in patient derived fibroblast cells using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate incubated for 5 days by fluorescence based analysis
50019448	3	ChEMBL_2320186	Inhibition of human ERG
50019449	1	ChEMBL_2320216	Binding affinity to CA2 (unknown origin) assessed as inhibition constant
50019449	2	ChEMBL_2320217	Binding affinity to human CA2 in U2OS cells assessed as inhibition constant
50019450	1	ChEMBL_2320298	Inhibition of BTK (unknown origin) preincubated for 10 mins followed by kinase substrate and ATP addition and measured for 20 mins by mobility shift assay
50019450	2	ChEMBL_2320299	Inhibition of JAK3 (unknown origin) preincubated for 10 mins followed by kinase substrate and ATP addition and measured for 30 mins by mobility shift assay
50019450	3	ChEMBL_2320309	Inhibition of human ERG by patch clamp assay
50019450	4	ChEMBL_2320312	Inhibition of JAK1 (unknown origin) using kinetic substrate in presence of ATP by mobility shift assay
50019450	5	ChEMBL_2320313	Inhibition of JAK2 (unknown origin) using kinetic substrate in presence of ATP by mobility shift assay
50019450	6	ChEMBL_2320314	Inhibition of TYK2 (unknown origin) using kinetic substrate in presence of ATP by mobility shift assay
50019451	1	ChEMBL_2320407	Agonist activity at Sprague-Dawley rat hippocampal membrane 5-HT1A receptor assessed as stimulation of [35S]GTPgammaS binding measured after 90 mins by scintillation counter analysis
50019451	2	ChEMBL_2320409	Antagonist activity at Sprague-Dawley rat striatum membrane D2 receptor assessed as inhibition of dopamine stimulated [35S]GTPgammaS binding measured after 90 mins by scintillation counter analysis
50019451	3	ChEMBL_2320410	Displacement of [3H]ketanserin from Sprague-Dawley rat 5-HT2A receptor assessed as inhibition constant measured after 60 mins by competitive binding assay
50019451	4	ChEMBL_2320411	Displacement of [3H]pyrilamine from Sprague-Dawley rat H1 receptor assessed as inhibition constant measured after 30 mins by competitive binding assay
50019451	5	ChEMBL_2320412	Displacement of [3H]ketanserin from Sprague-Dawley rat 5-HT2A receptor measured after 60 mins by competitive binding assay
50019453	1	ChEMBL_2320415	Binding affinity to Fyn (unknown origin) assessed as dissociation constant
50019453	2	ChEMBL_2320416	Binding affinity to His-tagged Laminin receptor in human A549 cells assessed as dissociation constant by surface plasmon resonance assay
50019453	3	ChEMBL_2320417	Binding affinity to Epstein Barr virus LMP1 assessed as dissociation constant
50019455	1	ChEMBL_2320424	Inhibition of wild type EGFR in mouse BaF3 cells assessed as cell growth inhibition measured after 72 hrs by CellTiter-Glo assay
50019455	2	ChEMBL_2320425	Inhibition of EGFR L858R/T790M/C797S triple mutant in human NCI-H1975 cells assessed as cell growth inhibition measured after 72 hrs by CellTiter-Glo assay
50019456	1	ChEMBL_2320482	Inhibition of SARS-CoV-2 Wuhan-Hu-1 MPro expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate pretreated with enzyme for 10 mins followed by substrate addition by FRET assay
50019456	2	ChEMBL_2320483	Inhibition of SARS-CoV-2 MPro using protease substrate preincubated with enzyme for 10 mins followed by substrate addition and measured after 5 mins by FRET based assay
50019456	3	ChEMBL_2320492	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli preincubated for 10 mins followed by fluorogenic substrate addition and measured every 30s for 10 mins by fluorescence based analysis
50019456	4	ChEMBL_2320494	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21(DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate by fluorescence based analysis
50019456	5	ChEMBL_2320496	Inhibition of SARS-Cov-2 MPro transfected in HEK293T cells assessed as decrease in GFP+ cells measured after 24 hrs by FlipGFP based fluorescence analysis
50019456	6	ChEMBL_2320498	Inhibition of SARS-CoV-2 MPro
50019456	7	ChEMBL_2320500	Inhibition of human Cathepsin K measured after 30 mins by fluorescence based microplate reader analysis relative to control
50019459	1	ChEMBL_2320501	Inhibition of FAK (unknown origin)
50019459	2	ChEMBL_2320502	Inhibition of GST-fused FAK (411 to 686 residues)(unknown origin) expressed in baculovirus expression system using poly(Glu:Tyr) as substrate incubated for 5 mins in presence of ATP by K-LISA screening assay
50019459	3	ChEMBL_2320503	Inhibition of FAK (unknown origin) incubated for 50 mins in presence of substrate/ATP by HTRF assay
50019460	1	ChEMBL_2320538	Inhibition of hERG
50019461	1	ChEMBL_2320563	Inhibition of DENV2 NS2B-NS3 protease using Boc-Gly-Arg-Arg-AMC as substrate by fluorometric analysis
50019461	2	ChEMBL_2320564	Binding affinity to N terminal hexa histidine tagged DENV2 NS2B-NS3 protease assessed as apparent Ki by Dixon plot analysis
50019463	1	ChEMBL_2320613	Inhibition of SLC26A6 (unknown origin) expressed in rat FRT cells coexpressing YFP halide-sensing protein assessed as iodide-chloride exchange incubated for 2 sec by fluorescence quenching analysis
50019464	1	ChEMBL_2320625	Inhibition of HIV-1 reverse transcriptase incubated for 1 hrs in presence of biotin-labeled dNTPs by ELISA assay
50019465	1	ChEMBL_2320639	Agonist activity at human GPR35 expressed in HEK293 cells co-expressing Galpha16 assessed as increase in calcium mobilization by Fluo-4 AM dye based fluorescence assay
50019465	2	ChEMBL_2320640	Agonist activity at mouse GPR35 expressed in HEK293 cells co-expressing Galpha16 assessed as increase in calcium mobilization by Fluo-4 AM dye based fluorescence assay
50019465	3	ChEMBL_2320664	Agonist activity at human GPR35 by beta-arrestin recruitment assay
50019465	4	ChEMBL_2320665	Agonist activity at mouse GPR35 by beta-arrestin recruitment assay
50019466	1	ChEMBL_2320669	Inhibition of alpha-Synuclein (unknown origin) aggregation incubated for 72 hrs by ThT-based fluorescence analysis
50019467	1	ChEMBL_2320691	Inhibition of GST-tagged human SYK expressed in Sf21 cells measured after 1 hrs in presence of ATP
50019467	2	ChEMBL_2320692	Inhibition of SYK-mediated human Mast cell degranulation assessed as tryptase release measured after 90 mins by fluorescence based assay
50019467	3	ChEMBL_2320693	Inhibition of human SYK at Py+3 pocket
50019467	4	ChEMBL_2320694	Inhibition of human SYK assessed as tryptase release measured after 30 mins in presence of ATP
50019467	5	ChEMBL_2320695	Inhibition of SYK (unknown origin)
50019468	1	ChEMBL_2320696	Inhibition of wild-type N-terminal His-tagged c-Abl (2 to 1130 residues) (unknown origin) expressed in Sf21 insect cells using Tk-substrate preincubated for 5 mins followed by substrate addition and measured after 40 mins in the presence of ATP by HTRF based FRET assay
50019469	1	ChEMBL_2320757	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate prewarmed for 10 mins followed by substrate addition measured after 15 mins by DTNB assay
50019469	2	ChEMBL_2320758	Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFKQuencher peptide substrate incubated for 90 mins by FRET assay
50019470	1	ChEMBL_2320769	Inhibition of bacterial metallo-beta-lactamase NDM-1 preincubated for 5 mins followed by imipenem addition by spectrophotometer analysis
50019470	2	ChEMBL_2320772	Binding affinity to beta-lactasmase NDM-1
50019472	1	ChEMBL_2320784	Inhibition of CSF1R (unknown origin) BY FRET based Z-LYTE ratiometric kinase assay
50019472	2	ChEMBL_2320785	Inhibition of LCK (unknown origin) BY FRET based Z-LYTE ratiometric kinase assay
50019477	1	ChEMBL_2320793	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation using Ulight-JAK1 peptide as substrate incubated for 1.5 hrs in presence of ATP by TR-FRET based LANCE Ultra kinase assay
50019477	2	ChEMBL_2320796	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation incubated for 45 mins using Srctide as substrate in presence of 5uM of ATP by microplate reader analysis
50019477	3	ChEMBL_2320797	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation using Srctide as substrate preincubated for 20 mins followed by substrate addition in presence of 5uM of ATP and measured after 45 mins by microplate reader analysis
50019477	4	ChEMBL_2320798	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation using Srctide as substrate preincubated for 60 mins followed by substrate addition in presence of 5uM of ATP and measured after 45 mins by microplate reader analysis
50019477	5	ChEMBL_2320799	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation incubated for 45 mins using Srctide as substrate in presence of 1mM of ATP by microplate reader analysis
50019477	6	ChEMBL_2320800	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation using Srctide as substrate preincubated for 20 mins followed by substrate addition in presence of 1mM of ATP and measured after 45 mins by microplate reader analysis
50019477	7	ChEMBL_2320801	Inhibition of N-terminal His6-tagged human EGFR L858R/T790M/C797S mutant expressed in Sf9 cells assessed as decrease in substrate phosphorylation using Srctide as substrate preincubated for 60 mins followed by substrate addition in presence of 1mM of ATP and measured after 45 mins by microplate reader analysis
50019479	1	ChEMBL_2320810	Binding affinity to human recombinant ERbeta incubated for 20 mins
50019479	2	ChEMBL_2320825	Inhibition of bovine brain tubulin polymerization measured at 2 to 20 mins by spectrophotometer analysis
50019479	3	ChEMBL_2320873	Inhibition of hERG expressed in CHO cells at 40 uM by automated patch clamp analysis
50019480	1	ChEMBL_2320901	Inhibition of Biotinylated KRAS G13D mutant (unknown origin) incubated for 20 mins in presence of BODIPY-GDP by HTRF assay
50019481	1	ChEMBL_2320908	Inhibition of human PD-1/PDL1 interaction incubated for 1 hr by HTRF assay
50019482	1	ChEMBL_2320924	Inhibition of human tyrosinase using L-DOPA as substrate incubated for 10 to 20 mins by MBTH dye based assay
50019482	2	ChEMBL_2320929	Inhibition of human His-tagged tyrosinase CD expressed in HEK293 cells assessed as inhibition of melanin production using L-DOPA as substrate
50019482	3	ChEMBL_2320930	Binding affinity to human His-tagged tyrosinase CD expressed in HEK293 cells assessed as inhibition constant using L-DOPA as substrate by HTS assay
50019484	1	ChEMBL_2320944	Activation of STING pathway in human 293T-hSTING-R232 cells incubated for 48 hrs by QUANTI-Luc assay
50019484	2	ChEMBL_2320945	Activation of STING pathway in mouse 293T-mSTING cells incubated for 48 hrs by QUANTI-Luc assay
50019484	3	ChEMBL_2320946	Inhibition of human MARK4 ATPase activity using ATP as substrate incubated for 10 to 20 mins by Biomol green reagent based ELISA analysis
50019484	4	ChEMBL_2320957	Inhibition of telomerase (unknown origin)
50019484	5	ChEMBL_2320960	Inhibition of DNA-PK (unknown origin)
50019485	1	ChEMBL_2320999	Inhibition of EGFR del19 mutant in human HCC827 cells
50019485	2	ChEMBL_2321001	Inhibition of EGFR in human NCI-H1975 cells
50019485	3	ChEMBL_2321002	Inhibition of wild type EGFR in human A549 cells
50019485	4	ChEMBL_2321003	Inhibition of wild type EGFR in human A-431 cells
50019486	1	ChEMBL_2321007	Inhibition of NDM1 (unknown origin)
50019486	2	ChEMBL_2321013	Inhibition of NDM1 (unknown origin) by differential scanning fluorimetry
50019486	3	ChEMBL_2321015	Inhibition of VIM1 (unknown origin)
50019486	4	ChEMBL_2321018	Inhibition of VIM1 (unknown origin) using dicefalotinodifluorofluorescein as substrate incubated for 30 mins
50019486	5	ChEMBL_2321019	Inhibition of NDM1 (unknown origin) using dicefalotinodifluorofluorescein as substrate incubated for 30 mins
50019486	6	ChEMBL_2321021	Binding affinity to NDM1 (unknown origin) assessed as inhibition constant by measuring imipenem hydrolysis
50019486	7	ChEMBL_2321027	Inhibition of VIM1 (unknown origin) using fluorocillin as substrate by measuring difluoro-fluorescein formed using fluorescence plate reader method
50019486	8	ChEMBL_2321028	Inhibition of NDM1 (unknown origin) using fluorocillin as substrate by measuring difluoro-fluorescein formed using fluorescence plate reader method
50019486	9	ChEMBL_2321037	Inhibition of NDM1 (unknown origin) by spectroscopic analysis
50019486	10	ChEMBL_2321040	Binding affinity to VIM1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using MEM as substrate by Dixon plot analysis
50019486	11	ChEMBL_2321042	Binding affinity to NDM1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using MEM as substrate by Dixon plot analysis
50019486	12	ChEMBL_2321045	Binding affinity to NDM1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using IPM as substrate incubated for 5 mins
50019486	13	ChEMBL_2321048	Inhibition of NDM1 (unknown origin) using nitrocefin as substrate incubated for 30 mins
50019486	14	ChEMBL_2321054	Inhibition of Stenotrophomonas maltophilia L1 preincubated for 30 mins followed by nitrocefin solution measured by UV based microtitre plate analysis
50019486	15	ChEMBL_2321056	Binding affinity to VIM1 (unknown origin) assessed as inhibition constant
50019486	16	ChEMBL_2321058	Inhibition of NDM1 (unknown origin) using fluorescent cephalosporin FC5 as substrate incubated for 15 mins followed by substrate addition measured by fluorescence based analysis
50019486	17	ChEMBL_2321062	Inhibition of NDM1 (unknown origin) using cefazolin as substrate
50019486	18	ChEMBL_2321066	Inhibition of Escherichia coli beta-lactamase TEM-1
50019486	19	ChEMBL_2321068	Inhibition of Escherichia coli beta-lactamase CTX-M-14
50019486	20	ChEMBL_2321071	Inhibition of Klebsiella pneumoniae beta-lactamase KPC-2
50019486	21	ChEMBL_2321072	Inhibition of Enterobacter cloacae AmpC
50019486	22	ChEMBL_2321073	Inhibition of Escherichia coli beta-lactamase OXA-1
50019486	23	ChEMBL_2321075	Inhibition of Acinetobacter baumannii beta-lactamase OXA-23
50019486	24	ChEMBL_2321077	Inhibition of Klebsiella pneumoniae beta-lactamase KPC-2 using nitrocefin as substrate measured after 20 mins
50019486	25	ChEMBL_2321080	Inhibition of Pseudomonas aeruginosa AmpC
50019486	26	ChEMBL_2321106	Binding affinity to Escherichia coli CTX-M-14 assessed as inhibition constant using nitrocefin as substrate by microplate reader analysis
50019486	27	ChEMBL_2321107	Binding affinity to Escherichia coli CTX-M-27 assessed as inhibition constant using nitrocefin as substrate by microplate reader analysis
50019486	28	ChEMBL_2321111	Binding affinity to Escherichia coli KPC-2 assessed as inhibition constant using nitrocefin as substrate by microplate reader analysis
50019486	29	ChEMBL_2321112	Binding affinity to Escherichia coli AmpC assessed as inhibition constant using nitrocefin as substrate by microplate reader analysis
50019486	30	ChEMBL_2321128	Binding affinity to N-terminal 6xHis tagged NDM-1 (42-270 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using nitrocefin as substrate by monochromator based microplate reader analysis
50019487	1	ChEMBL_2321232	Inhibition of influenza A virus neuraminidase
50019487	2	ChEMBL_2321233	Inhibition of influenza A virus H1N1 neuraminidase H274Y mutant
50019487	3	ChEMBL_2321235	Inhibition of influenza A virus H5N1 Neuraminidase H274Y mutant in dog MDCK cells
50019488	1	ChEMBL_2321245	Antagonist activity at human ETA receptor expressed in CHO cells assessed as inhibition constant
50019488	2	ChEMBL_2321249	Antagonist activity at 125I-labeled CCK-33 in rat pancreas
50019489	1	ChEMBL_2321258	Inhibition of human recombinant N-terminal His-tagged PAK4 kinase domain (300 to 591 residues) expressed in Escherichia coli BL21(DE3) preincubated with enzyme for 15 mins followed by ATP addition and measured after 60 mins by Z'-Lyte assay
50019489	2	ChEMBL_2321259	Displacement of kinase tracer 236 from human recombinant PLK4 incubated for 60 mins by LanthScreen Eu kinase binding assay
50019489	3	ChEMBL_2321260	Inhibition of GST-tagged human full-length recombinant TBK1 incubated for 1 hr in presence of ATP by Z'-Lyte based assay
50019489	4	ChEMBL_2321261	Inhibition of N-terminal GST-tagged wild type human FAK (376 to 1052 residues) expressed in baculovirus-infected Sf21 cells incubated for 50 mins in presence of ATP by HTRF assay
50019489	5	ChEMBL_2321263	Inhibition of TRKA (unknown origin)
50019489	6	ChEMBL_2321357	Inhibition of human PLK4 using casein and [gamma33P]ATP as substrate by radiometric hotspot kinase assay
50019489	7	ChEMBL_2321358	Inhibition of PLK4 (unknown origin)
50019490	1	ChEMBL_2321588	Inhibition of MKP5 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as p38alpha MAPK phosphopeptide dephosphorylation using phosphopeptide as substrate incubated for 15 mins followed by substrate addition by malachite green dye based analysis
50019490	2	ChEMBL_2321590	Inhibition of human MKP5 catalytic domain (320 to 467 residues) expressed in Escherichia coli BL21 (DE3) cells by MST assay
50019491	1	ChEMBL_2321672	Inhibition of recombinant HIV-1 LEDGF-dependent full length His-tagged integrase expressed in Escherichia coli BL21 (DE3) by HTRF method
50019491	2	ChEMBL_2321673	Inhibition of recombinant HIV-1 LEDGF-independent full length His-tagged integrase expressed in Escherichia coli BL21 (DE3) by HTRF method
50019491	3	ChEMBL_2321674	Inhibition of recombinant HIV-1 reverse transcriptase RNase-associated RNase H activity expressed in Escherichia coli using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl RNA/DNA template-primer as substrate incubated for 1 hr by multilabel counter plate reader method
50019491	4	ChEMBL_2321675	Inhibition of recombinant HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase activity incubated for 30 mins by multilabel counter plate reader analysis
50019491	5	ChEMBL_2321676	Inhibition of recombinant HIV-1 His-tagged LEDGF integrase preincubated for 30 mins followed by FLAG-LEDGF addition and measured after 4 hrs by HTRF method
50019491	6	ChEMBL_2321679	Inhibition of HIV-1 RNase H
50019491	7	ChEMBL_2321680	Inhibition of N-terminal 6-his-tagged HIV-1 reverse transcriptase RNase H (427 to 560 residues) transformed in Escherichia coli B21 (DE3) at pH 7.4 incubated for 4 hrs
50019491	8	ChEMBL_2321681	Inhibition of N-terminal 6-his-tagged HIV-1 reverse transcriptase RNase H (427 to 560 residues) transformed in Escherichia coli B21 (DE3) at pH 8.0 incubated for 4 hrs
50019491	9	ChEMBL_2321682	Inhibition of HIV-1 reverse transcriptase RNase H
50019491	10	ChEMBL_2321684	Inhibition of HIV-1 integrase strand transfer activity
50019491	11	ChEMBL_2321685	Inhibition of HIV-1 integrase 3' processing activity
50019491	12	ChEMBL_2321686	Inhibition of HIV-1 RNase H polymerase activity
50019491	13	ChEMBL_2321688	Inhibition of HIV-1 reverse transcriptase associated RNase H using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl as substrate incubated for 1 hr
50019491	14	ChEMBL_2321689	Inhibition of recombinant HIV-1 His-tagged LEDGF-dependent integrase preincubated for 1 hr followed by compound addition and measured after 90 mins by HTRF method
50019491	15	ChEMBL_2321692	Inhibition of recombinant HIV-1 reverse transcriptase RNase-associated RNase H expressed in Escherichia coli M15 using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl RNA/DNA template-primer as substrate incubated for 1 hr by multilabel counter plate reader method
50019491	16	ChEMBL_2321694	Inhibition of wild type HIV-1 reverse transcriptase associated DNA polymerase independent RNase H activity using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl RNA/DNA template-primer as substrate by multilabel counter plate reader method
50019491	17	ChEMBL_2321696	Inhibition of HIV-1 reverse transcriptase RNase H activity expressed in Escherichia coli M15 using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl RNA/DNA template-primer as substrate incubated for 1 hr by multilabel counter plate reader method
50019491	18	ChEMBL_2321700	Inhibition of HIV-1 reverse transcriptase associated RNase H activity
50019491	19	ChEMBL_2321701	Non-competitive inhibition of HIV reverse transcriptase polymerase activity
50019492	1	ChEMBL_2321719	Inhibition of wild type N-terminal His-tagged BRAF (unknown origin) (448 to 723 residues) expressed in Escherichia coli by AlphaScreen assay
50019492	2	ChEMBL_2321720	Inhibition of wild type N-terminal 6His-tagged BRAF V600E mutant (unknown origin) (D448 to K723 residues) expressed in baculovirus expression system by AlphaScreen assay
50019492	3	ChEMBL_2321721	Inhibition of c-Met (unknown origin)
50019492	4	ChEMBL_2321722	Inhibition of ALK (unknown origin)
50019492	5	ChEMBL_2321723	Inhibition of B2R (unknown origin)
50019492	6	ChEMBL_2321724	Inhibition of JAK1 (unknown origin)
50019492	7	ChEMBL_2321725	Inhibition of JAK2 (unknown origin)
50019492	8	ChEMBL_2321726	Inhibition of JAK3 (unknown origin)
50019492	9	ChEMBL_2321729	Inhibition of CFTR F508 deletion mutant (unknown origin)
50019492	10	ChEMBL_2321730	Inhibition of CFTR G551D mutant (unknown origin)
50019492	11	ChEMBL_2321734	Inhibition of MTR (unknown origin)
50019492	12	ChEMBL_2321741	Inhibition of BTK (unknown origin)
50019492	13	ChEMBL_2321742	Inhibition of PI3Kdelta in anti-FceRI-stimulated human Basophil cells degranulation
50019492	14	ChEMBL_2321743	Inhibition of PI3Kalpha (unknown origin)
50019492	15	ChEMBL_2321744	Inhibition of PI3Kbeta (unknown origin)
50019492	16	ChEMBL_2321745	Inhibition of PI3Kgamma (unknown origin)
50019492	17	ChEMBL_2321746	Inhibition of PI3Kdelta (unknown origin)
50019492	18	ChEMBL_2321747	Inhibition of GST-tagged VEGFR2 KD (unknown origin) expressed in using baculovirus expression system using Poly-(Glu,Tyr 4:1) peptide as a substrate in presence of ATP
50019492	19	ChEMBL_2321748	Inhibition of FGFR2 (unknown origin)
50019492	20	ChEMBL_2321749	Inhibition of PDGFRalpha (unknown origin)
50019492	21	ChEMBL_2321751	Inhibition of GST-tagged VEGFR1 CD (unknown origin)
50019492	22	ChEMBL_2321752	Inhibition of GST-tagged VEGFR3 CD (unknown origin)
50019492	23	ChEMBL_2321753	Inhibition of GST-tagged FGFR1 CD (unknown origin)
50019492	24	ChEMBL_2321754	Inhibition of GST-tagged FGFR2 CD (unknown origin)
50019492	25	ChEMBL_2321755	Inhibition of GST-tagged FGFR3 CD (unknown origin)
50019492	26	ChEMBL_2321756	Inhibition of GST-tagged PDGFRalpha CD (unknown origin)
50019492	27	ChEMBL_2321757	Inhibition of GST-tagged PDGFRbeta CD (unknown origin)
50019492	28	ChEMBL_2321758	Inhibition of PARP1 (unknown origin)
50019492	29	ChEMBL_2321759	Inhibition of PARP2 (unknown origin)
50019492	30	ChEMBL_2321761	Agonist activity at FXR (unknown origin) by FRET assay
50019492	31	ChEMBL_2321762	Binding affinity to BCL2 (unknown origin) assessed as inhibition constant
50019492	32	ChEMBL_2321764	Inhibition of human TPH1
50019492	33	ChEMBL_2321765	Binding affinity to human H3R assessed as inhibition constant
50019492	34	ChEMBL_2321767	Inhibition of FLT3 (unknown origin)
50019492	35	ChEMBL_2321768	Inhibition of EGFR (unknown origin)
50019492	36	ChEMBL_2321770	Inhibition of IDH2 (unknown origin)
50019492	37	ChEMBL_2321774	Inhibition of SYK (unknown origin)
50019492	38	ChEMBL_2321775	Binding affinity to SYK (unknown origin) assessed as inhibition constant
50019492	39	ChEMBL_2321778	Inhibition of TRKA (unknown origin)
50019492	40	ChEMBL_2321779	Inhibition of TRKB (unknown origin)
50019492	41	ChEMBL_2321780	Inhibition of TRKC (unknown origin)
50019492	42	ChEMBL_2321781	Inhibition of wild type TTR (unknown origin)
50019492	43	ChEMBL_2321782	Inhibition of TTR V30M mutant (unknown origin)
50019492	44	ChEMBL_2321783	Inhibition of TTR V122I mutant (unknown origin)
50019492	45	ChEMBL_2321784	Inhibition of XPO1 in human MOLT-16 cells
50019492	46	ChEMBL_2321785	Inhibition of XPO1 in human HPBALL cells
50019492	47	ChEMBL_2321786	Inhibition of CSF1R (unknown origin)
50019492	48	ChEMBL_2321787	Inhibition of KIT (unknown origin)
50019492	49	ChEMBL_2321788	Inverse agonist activity at human H3R
50019492	50	ChEMBL_2321790	Inhibition of recombinant human CYP11B1
50019492	51	ChEMBL_2321791	Inhibition of recombinant human CYP11B2
50019492	52	ChEMBL_2321793	Inhibition of MEK1 (unknown origin)
50019492	53	ChEMBL_2321794	Inhibition of MEK2 (unknown origin)
50019492	54	ChEMBL_2321796	Inhibition of Ezh1 (unknown origin)
50019492	55	ChEMBL_2321797	Inhibition of Ezh2 (unknown origin)
50019492	56	ChEMBL_2321798	Binding affinity to Ezh2 (unknown origin) assessed as inhibition constant
50019492	57	ChEMBL_2321800	Inhibition of H-Ras (unknown origin)
50019492	58	ChEMBL_2321801	Inhibition of K-Ras (unknown origin)
50019492	59	ChEMBL_2321802	Inhibition of K-Ras in human NCI-H460 cells
50019492	60	ChEMBL_2321803	Inhibition of human MC4R
50019492	61	ChEMBL_2321804	Inhibition of rat MC4R
50019493	1	ChEMBL_2321808	Inhibition of human AChE by Ellman's spectrophotometric method
50019493	2	ChEMBL_2321811	Inhibition of rat cortex homogenate AChE preincubated for 5 mins followed by compound addition and measured after 15 mins by Ellman's method
50019493	3	ChEMBL_2321812	Inhibition of AChE (unknown origin)
50019493	4	ChEMBL_2321814	Inhibition of alpha glucosidase (unknown origin)
50019493	5	ChEMBL_2321818	Inhibition of AChE in human erythrocytes preincubated for 5 mins followed by substrate addition by Ellman's method
50019493	6	ChEMBL_2321823	Inhibition of rat serum homogenate BuChE preincubated for 5 mins followed by compound addition and measured after 15 mins by Ellman's method
50019493	7	ChEMBL_2321828	Inhibition of electric eel AChE
50019493	8	ChEMBL_2321829	Inhibition of human AChE
50019493	9	ChEMBL_2321834	Inhibition of alpha glucosidase (unknown origin) spectrophotometric analysis
50019495	1	ChEMBL_2321843	Inhibition of pig brain tubulin polymerization in presence of GTP measured for 30 mins by spectrophotometric method
50019496	1	ChEMBL_2321948	Inhibition of CDK4 (unknown origin)
50019496	2	ChEMBL_2321949	Inhibition of c-ErbB-2 (unknown origin)
50019498	1	ChEMBL_2322019	Inhibition of PLK1 (unknown origin)
50019499	1	ChEMBL_2322122	Inhibition of wild type beta-Catenin/TCF4 protein-protein interaction in human Hep3B cells incubated for 24 hrs by TOPFLASH reporter assay
50019499	2	ChEMBL_2322123	Inhibition of beta-Catenin/TCF4 (unknown origin) protein-protein interaction by TOPFLASH reporter assay
50019499	3	ChEMBL_2322124	Inhibition of beta-Catenin/TCF4 (unknown origin) protein-protein interaction
50019499	4	ChEMBL_2322125	Inhibition of beta-Catenin/TCF4 protein-protein interaction in human Hep3B cells
50019499	5	ChEMBL_2322126	Inhibition of Flag-tagged beta-Catenin (unknown origin)/Flag-tagged BCL9 (unknown origin) protein-protein interaction assessed as inhibition constant by ELISA assay
50019499	6	ChEMBL_2322127	Inhibition of beta-Catenin/TCF4 protein-protein interaction in human HEK 293 STF cells
50019499	7	ChEMBL_2322128	Inhibition of beta-Catenin/TCF4 protein-protein interaction in human HEK293T cells incubated for 24 hrs by RT-PCR analysis
50019499	8	ChEMBL_2322130	Inhibition of human beta-Catenin/GST-tagged TCF4 (unknown origin) protein-protein interaction incubated for 2 hrs by ELISA assay
50019499	9	ChEMBL_2322131	Inhibition of beta-Catenin/GST-tagged TCF4 protein-protein interaction in human HCT-116 cells incubated for 24 hrs by immunoprecipitation assay
50019499	10	ChEMBL_2322137	Inhibition of beta-Catenin/TCF4 (unknown origin) protein-protein interaction assessed as inhibition constant
50019499	11	ChEMBL_2322138	Inhibition of beta-Catenin/FITC-labeled TCF4 (8 to 30 residues) (unknown origin) protein-protein interaction incubated for 3 hrs by fluorescence polarization assay
50019499	12	ChEMBL_2322139	Inhibition of human GST-tagged beta-Catenin/human His-tagged N-terminal biotinylated TCF4 (8 to 53 residues) protein-protein interaction by AlphaScreen assay
50019499	13	ChEMBL_2322140	Inhibition of human GST-tagged beta-Catenin/human His-tagged N-terminal biotinylated TCF4 (8 to 53 residues) protein-protein interaction by ELISA assay
50019499	14	ChEMBL_2322141	Inhibition of His-tagged beta-Catenin (134 to 668 residues)/GST-tagged N-terminal TCF4 (1 to 55 residues) (unknown origin) protein-protein interaction incubated for 15 mins by SPR assay
50019499	15	ChEMBL_2322142	Binding affinity to His-tagged beta-Catenin (134 to 668 residues) (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019499	16	ChEMBL_2322143	Binding affinity to beta-Catenin (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50019499	17	ChEMBL_2322144	Displacement of biotinylated TCF4 from wild type beta-Catenin (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019499	18	ChEMBL_2322145	Inhibition of wild type beta-Catenin (142 to 686 residues) (unknown origin)/C-terminal fluorescein-labeled human TCF4 (7 to 51 residues) protein-protein interaction assessed as inhibition constant incubated for 30 mins by fluorescence polarization assay
50019499	19	ChEMBL_2322151	Binding affinity to wild type beta-Catenin (unknown origin) assessed as dissociation constant by isothermal titration calorimetry
50019499	20	ChEMBL_2322153	Inhibition of His6-tagged human beta-Catenin (138 to 686 residues)/biotinylated human BCL9 (350 to 375 residues) protein-protein interaction assessed as inhibition constant by AlphaScreen competitive assay
50019499	21	ChEMBL_2322155	Inhibition of beta-Catenin (301 to 670 residues)/TCF4 protein-protein interaction in human HCT-116 cells incubated for 20 hrs by TOPFLASH luciferase reporter assay
50019499	22	ChEMBL_2322157	Binding affinity to full length His-tagged human beta-Catenin assessed as dissociation constant by microscale thermophoresis analysis
50019499	23	ChEMBL_2322158	Inhibition of beta-Catenin/TCF4 protein-protein interaction in human Huh-7 cells
50019499	24	ChEMBL_2322159	Inhibition of beta-Catenin/TCF4 protein-protein interaction in human HepG2 cells
50019502	1	ChEMBL_2322163	Inhibition of human HDAC1 using Boc-Lys (acetyl)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	2	ChEMBL_2322164	Inhibition of human HDAC6 using Boc-Lys (acetyl)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	3	ChEMBL_2322169	Inhibition of human HDAC2 using Boc-Lys (acetyl)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	4	ChEMBL_2322170	Inhibition of human HDAC3 using Boc-Lys (acetyl)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	5	ChEMBL_2322171	Inhibition of human HDAC4 using Boc-Lys (trifluoroacety1)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	6	ChEMBL_2322172	Inhibition of human HDAC5 using Boc-Lys (trifluoroacety1)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	7	ChEMBL_2322173	Inhibition of human HDAC7 using Boc-Lys (trifluoroacety1)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	8	ChEMBL_2322174	Inhibition of human HDAC8 using Boc-Lys (trifluoroacety1)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019502	9	ChEMBL_2322175	Inhibition of human HDAC9 using Boc-Lys (trifluoroacety1)-AMC as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50019503	1	ChEMBL_2322205	Agonist activity at Vitamin D receptor (unknown origin) assessed as increase in fluorescein labeled TRAP220/DRIP-2 coactivator peptide requirement by TR-FRET assay
50019503	2	ChEMBL_2322206	Agonist activity at human Vitamin D receptor assessed as increase in gene transcriptional activity by luciferase reporter gene based assay
50019504	1	ChEMBL_2322215	Inhibition of wild type HIV-1 reverse transcriptase assessed as inhibition of biotin deoxyuridine triphosphate incorporation into protein
50019504	2	ChEMBL_2322216	Inhibition of CYP1A2 (unknown origin)
50019504	3	ChEMBL_2322217	Inhibition of CYP2C9 (unknown origin)
50019504	4	ChEMBL_2322218	Inhibition of CYP2C19 (unknown origin)
50019504	5	ChEMBL_2322219	Inhibition of CYP2D6 (unknown origin)
50019504	6	ChEMBL_2322220	Inhibition of CYP3A4T (unknown origin)
50019504	7	ChEMBL_2322221	Inhibition of CYP3A4M (unknown origin)
50019504	8	ChEMBL_2322235	Inhibition of human ERG potassium channel expressed in CHO cells by manual patch clamp method
50019505	1	ChEMBL_2322269	Inhibition of wild type HIV-1 reverse transcriptase assessed as reduction of biotin-dUTP incorporation into protein using ABTS as substrate incubated for 1 hrs by ELISA analysis
50019506	1	ChEMBL_2322307	Binding affinity to recombinant human Keap1 assessed as equilibrium dissociation constant by SPR analysis
50019507	1	ChEMBL_2322328	Displacement of thiazole orange from His-tagged BLM (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as decrease in fluorescence intensity by fluorescence based analysis
50019507	2	ChEMBL_2322330	Inhibition of His-tagged BLM (unknown origin) expressed in Escherichia coli BL21 (DE3) using 5'-biotin-labeled duplex forked-DNA as substrate incubated for 10 mins followed by substrate addition measured after 30 mins in presence of ATP by electrophoretic mobility shift assay
50019507	3	ChEMBL_2322337	Inhibition of BLM (unknown origin) assessed as ATP hydrolysis using 5'-biotin-labeled duplex forked-DNA as substrate incubated for 10 mins in presence of ATP by luciferase assay
50019508	1	ChEMBL_2322357	Agonist activity at STING in human THP1-Dual cells incubated for 20 hrs by Quanti-luc reagent based assay
50019508	2	ChEMBL_2322358	Agonist activity at STING in human STHP1-Dual KO-STING cells incubated for 20 hrs by Quanti-luc reagent based assay
50019508	3	ChEMBL_2322361	Agonist activity at STING in mouse RAW-Lucia ISG cells by luciferase gene reporter assay
50019508	4	ChEMBL_2322374	Activation of STING signalling pathway in human THP1-Dual cells assessed as increase in NF-kappaB-SEAP activation incubated for 24 hrs by QUANTI-Blue reagent based assay
50019508	5	ChEMBL_2322375	Activation of STING signalling pathway in human THP1-Dual cells assessed as increase in IRF-luciferase activation incubated for 24 hrs by QUANTI-luc assay
50019508	6	ChEMBL_2322376	Activation of STING signalling pathway in human wild type THP-1 cells assessed as increase in IFN-beta secretion incubated for 4 hrs by ELISA method
50019508	7	ChEMBL_2322395	Activation of STING signalling pathway in human PBMC cells assessed as increase in IFN-beta level incubated for 4 hrs by ELISA method
50019508	8	ChEMBL_2322396	Activation of STING signalling pathway in human PBMC cells assessed as increase in CXCL10 level incubated for 4 hrs by ELISA method
50019508	9	ChEMBL_2322397	Activation of STING signalling pathway in human PBMC cells assessed as increase in IL-6 level incubated for 4 hrs by ELISA method
50019509	1	ChEMBL_2322398	Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by multimode plate reader analysis
50019509	2	ChEMBL_2322399	Inhibition of human recombinant MAGL using 7-hydroxycoumarinyl arachidonate as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by multimode plate reader analysis
50019509	3	ChEMBL_2322409	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells assessed as inhibition constant incubated for 90 mins by liquid scintillation counter analysis
50019509	4	ChEMBL_2322410	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counter analysis
50019510	1	ChEMBL_2322447	Inhibition of ATR (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50019510	2	ChEMBL_2322448	Inhibition of mTOR (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50019510	3	ChEMBL_2322475	Inhibition of CYP1A2 in human liver microsomes using alpha-naphthoflavone as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	4	ChEMBL_2322476	Inhibition of CYP2C9 in human liver microsomes using sulfaphenazole as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	5	ChEMBL_2322477	Inhibition of CYP2C19 in human liver microsomes using nootkatone as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	6	ChEMBL_2322478	Inhibition of CYP2D6 in human liver microsomes using quinidine as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	7	ChEMBL_2322479	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	8	ChEMBL_2322480	Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019510	9	ChEMBL_2322509	Inhibition of PI3Kalpha (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50019510	10	ChEMBL_2322510	Inhibition of ATM (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50019510	11	ChEMBL_2322511	Inhibition of DNA-PK (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50019511	1	ChEMBL_2322513	Inhibition of human NPP1 expressed in COS-7 cells using pNP-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate reader analysis
50019511	2	ChEMBL_2322514	Inhibition of human NPP3 expressed in COS-7 cells using pNP-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate reader analysis
50019511	3	ChEMBL_2322594	Inhibition of human NPP2 expressed in COS-7 cells using pNP-TMP as substrate preincubated for 10 mins followed by substrate addition and measured after 35 mins by microplate reader analysis
50019511	4	ChEMBL_2322595	Inhibition of Carbonic anhydrase 2 (unknown origin) using p-nitrophenyl acetate as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader method
50019511	5	ChEMBL_2322597	Inhibition of Carbonic anhydrase 9 (unknown origin) using p-nitrophenyl acetate as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader method
50019511	6	ChEMBL_2322598	Inhibition of Carbonic anhydrase 12 (unknown origin) using p-nitrophenyl acetate as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader method
50019512	1	ChEMBL_2322659	Inhibition of TNKS1 (unknown origin) using biotinylated NAD as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by BioTek synergy 2 microplate reader analysis
50019513	1	ChEMBL_2322751	Inhibition of GST-tagged SMYD3 (unknown origin) using biotinylated MAP3K2 peptide as substrate incubated for 1 hrs by TR-FRET based assay
50019514	1	ChEMBL_2322801	Inhibition of EZH2 (unknown origin)
50019514	2	ChEMBL_2322802	Inhibition of NSD1 (unknown origin) by ITC assay
50019514	3	ChEMBL_2322804	Inhibition of NSD1 (unknown origin) measured after 4 hrs by MS assay
50019514	4	ChEMBL_2322805	Inhibition of NSD1 (unknown origin) measured after 16 hrs by MS assay
50019514	5	ChEMBL_2322808	Inhibition of SETD8 (unknown origin)
50019514	6	ChEMBL_2322809	Inhibition of NSD1 (unknown origin) by ITC assay assessed as dissociation constant
50019514	7	ChEMBL_2322810	Inhibition of G9a (unknown origin) using H3(1-20)-cys as substrate by HPLC analysis
50019514	8	ChEMBL_2322811	Inhibition of GLP (unknown origin) using H3(1-20)-cys as substrate by HPLC analysis
50019514	9	ChEMBL_2322814	Inhibition of PRMT1 (unknown origin)
50019514	10	ChEMBL_2322815	Inhibition of human PRMT4 using S-adenosyl-L-methionine (3H) as substrate by scintillation proximity assay
50019514	11	ChEMBL_2322816	Inhibition of human PRMT8 using S-adenosyl-L-methionine (3H) as substrate by scintillation proximity assay
50019514	12	ChEMBL_2322817	Inhibition of human PRMT6 using S-adenosyl-L-methionine (3H) as substrate by scintillation proximity assay
50019514	13	ChEMBL_2322818	Inhibition of human PRMT3 using S-adenosyl-L-methionine (3H) as substrate by scintillation proximity assay
50019514	14	ChEMBL_2322819	Inhibition of human PRMT1 using S-adenosyl-L-methionine (3H) as substrate by scintillation proximity assay
50019514	15	ChEMBL_2322823	Inhibition of recombinant human PRMT1 expressed in Escherichia coli DE3 cells using AcH4-21 as substrate
50019514	16	ChEMBL_2322825	Inhibition of recombinant Full-length human PRMT1 by HTS assay
50019515	1	ChEMBL_2322867	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate at 20 uM measured for 10 mins by fluorescence assay relative to control
50019515	2	ChEMBL_2322868	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate assessed as inhibition constant measured for 10 mins by FRET assay
50019515	3	ChEMBL_2322869	Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant measured for 10 mins by fluorescence assay
50019515	4	ChEMBL_2322870	Inhibition of human Cathepsin B using Cbz-Phe-Arg-7-amino-4-methylcoumarin as substrate assessed as inhibition constant measured for 10 mins by fluorescence assay
50019516	1	ChEMBL_2322953	Inhibition of HDAC1 (unknown origin)
50019516	2	ChEMBL_2322954	Inhibition of HDAC2 (unknown origin)
50019519	1	ChEMBL_2323057	Agonist activity at RORgammat (unknown origin)
50019519	2	ChEMBL_2323058	Antagonist activity at RORgammat LBD (unknown origin) LBD
50019519	3	ChEMBL_2323060	Inhibition of RORgammat (unknown origin)
50019519	4	ChEMBL_2323061	Inverse agonist activity at His6-tagged human RORgammat LBD expressed in Escherichia coli BL21(DE3) assessed as decrease in SRC-1 recruitment using Biotin-SPSSHSSLTERHKILHRLLQEGSP as substrate incubated for 15 mins by TRET assay
50019522	1	ChEMBL_2323062	Inhibition of PRMT6 (unknown origin) by AlphaLISA assay in vitro assay
50019522	2	ChEMBL_2323063	Inhibition of PRMT1 (unknown origin) by AlphaLISA assay in vitro assay
50019522	3	ChEMBL_2323064	Inhibition of PRMT8 (unknown origin) by AlphaLISA assay in vitro assay
50019525	1	ChEMBL_2323232	Induction of AR degradation in human LNCaP cells
50019525	2	ChEMBL_2323233	Induction of AR degradation in human VCaP cells
50019526	1	ChEMBL_2323256	Inhibition of wild type recombinant HIV-1 reverse transcriptase assessed as reduction of biotin-dUTP incorporation into protein using ABTS as substrate incubated for 1 hrs by ELISA analysis
50019527	1	ChEMBL_2323261	Inhibition of BRD9 (unknown origin) by alpha screen analysis
50019527	2	ChEMBL_2323279	Inhibition of recombinant His-tagged BBRD7 (unknown origin) to histone H3 (1 to 30 residues) K4/18/23/27Ac incubated for 30 mins by alphascreen analysis
50019528	1	ChEMBL_2323288	Inhibition of PCSK9 transcriptional activity in human HepG2 cells stably expressing luciferase reporter plasmid containing PCSK9 promoter assessed as decrease in luciferase activity incubated for 24 hrs by Luciferase assay
50019529	1	ChEMBL_2323315	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 2 mins by spectrophotometry based Ellman's method
50019529	2	ChEMBL_2323316	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured for 2 mins by spectrophotometry based Ellman's method
50019529	3	ChEMBL_2323319	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured for 2 mins by spectrophotometry based Ellman's method
50019529	4	ChEMBL_2323326	Binding affinity to human BChE assessed as inhibition constant
50019530	1	ChEMBL_2323342	Inhibition of human recombinant MIF ketonase activity using phenylpyruvate as substrate
50019530	2	ChEMBL_2323343	Inhibition of human recombinant MIF enolase activity using phenylpyruvate as substrate
50019531	1	ChEMBL_2323353	Inhibition of yeast alpha-glucosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl glycoside as substrate by spectrophotometric analysis
50019531	2	ChEMBL_2323364	Inhibition of coffee beans alpha-galactosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl glycoside as substrate by spectrophotometric analysis
50019531	3	ChEMBL_2323368	Inhibition of jack bean alpha-mannosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl glycoside as substrate by spectrophotometric analysis
50019531	4	ChEMBL_2323372	Inhibition of bovine kidney alpha-L-fucosidase assessed as reduction of p-nitrophenol release using p-nitrophenyl glycoside as substrate by spectrophotometric analysis
50019531	5	ChEMBL_2323379	Inhibition of Escherichia coli beta-glucuronidase assessed as reduction of p-nitrophenol release using p-nitrophenyl-glycoside as substrate by spectrophotometric analysis
50019532	1	ChEMBL_2323394	Inhibition of recombinant His-tagged human telomerase expressed in insect cells preincubated for 15 mins followed by dNTPs and oligonucleotide primer and measured after 3 to 6 mins by PCR-based TRAP assay
50019532	2	ChEMBL_2323395	Inhibition of telomerase (unknown origin)
50019532	3	ChEMBL_2323396	Inhibition of rat telomerase assessed as incorporation of radioactive substrate into product DNA using [32P]dGTP and dNTPs as substrate incubated for 40 mins by pCR based TRAP assay
50019532	4	ChEMBL_2323397	Inhibition of telomerase activity in human HCC15 cells by droplet-digital TRAP PCR assay
50019532	5	ChEMBL_2323398	Inhibition of telomerase activity in human HCC2429 cells by droplet-digital TRAP PCR assay
50019532	6	ChEMBL_2323399	Inhibition of telomerase activity in human HCC4017 cells by droplet-digital TRAP PCR assay
50019532	7	ChEMBL_2323400	Inhibition of telomerase activity in human HCC515 cells by droplet-digital TRAP PCR assay
50019532	8	ChEMBL_2323401	Inhibition of telomerase activity in human HCC827 cells by droplet-digital TRAP PCR assay
50019532	9	ChEMBL_2323402	Inhibition of telomerase activity in human NCI-H2009 cells by droplet-digital TRAP PCR assay
50019532	10	ChEMBL_2323403	Inhibition of telomerase activity in human NCI-H1993 cells by droplet-digital TRAP PCR assay
50019532	11	ChEMBL_2323404	Inhibition of telomerase activity in human NCI-H2882 cells by droplet-digital TRAP PCR assay
50019532	12	ChEMBL_2323405	Inhibition of telomerase activity in human NCI-H1819 cells by droplet-digital TRAP PCR assay
50019532	13	ChEMBL_2323406	Inhibition of telomerase activity in human HCC38 cells by droplet-digital TRAP PCR assay
50019532	14	ChEMBL_2323407	Inhibition of telomerase (unknown origin) by PCR-based TRAP assay
50019532	15	ChEMBL_2323408	Inhibition of telomerase activity in human SGC-7901 cells by TRAP assay
50019532	16	ChEMBL_2323409	Inhibition of telomerase (unknown origin) by TRAP assay
50019532	17	ChEMBL_2323410	Inhibition of telomerase activity in human HeLa cells incubated for 24 hrs by TRAP-PCR assay
50019532	18	ChEMBL_2323411	Inhibition of telomerase activity in human MGC-803 cells incubated for 24 hrs by TRAP-PCR-ELISA assay
50019532	19	ChEMBL_2323412	Inhibition of human telomerase incubated for 20 mins by TRAP assay
50019533	1	ChEMBL_2323467	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50019533	2	ChEMBL_2323468	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50019533	3	ChEMBL_2323472	Displacement of [3H]-(+)-pentazocine from sigma 1 receptor (unknown origin) assessed as inhibition constant by scintillation counting analysis
50019533	4	ChEMBL_2323473	Displacement of [3H]DTG from sigma 2 receptor (unknown origin) assessed as inhibition constant by scintillation counting analysis
50019534	1	ChEMBL_2323515	Inhibition of MAO-B (unknown origin) using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019534	2	ChEMBL_2323518	Inhibition of MAO-A (unknown origin) using kynuramine as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019534	3	ChEMBL_2323521	Competitive inhibition of MAO-B (unknown origin) using kynuramine as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50019535	1	ChEMBL_2323562	Inhibition of full-length recombinant human HDAC1 (1 to 482 residues) expressed in baculovirus infected insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate incubated for 30 mins by fluorescence based analysis
50019535	2	ChEMBL_2323569	Inhibition of total HDAC in human HUVEC cells using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition measured after 6 hrs by microtiter plate reader analysis
50019536	1	ChEMBL_2323660	Inhibition of COX2 (unknown origin) preincubated with compound for 5 mins followed by substrate addition and measured after 5 mins by fluorescence spectrophotometer analysis
50019538	1	ChEMBL_2323701	Binding affinity to C-terminal 10XHis-tagged Mycobacterium smegmatis mc2 155 MmpL3 expressed in Mycobacterium smegmatis mc2 155 cells by microscale thermophoresis analysis
50019538	2	ChEMBL_2323702	Binding affinity to Mycobacterium smegmatis MmpL3 by surface plasmon resonance assay
50019538	3	ChEMBL_2323706	Inhibition of UppP in Escherichia coli using FPP as substrate pretreated for 20 mins followed by FPP addition and measured after 60 mins by malachite green based assay
50019540	1	ChEMBL_2323751	Inhibition of HIV-1 reverse transcriptase assessed as assessed as reduction of biotin-dUTP incorporation into protein incubated for 1 hrs by ELISA analysis
50019540	2	ChEMBL_2323765	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019540	3	ChEMBL_2323766	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019540	4	ChEMBL_2323767	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019540	5	ChEMBL_2323768	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019540	6	ChEMBL_2323769	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 10 mins followed by NADPH addition and measured after 10 mins by LC-MS/MS analysis
50019540	7	ChEMBL_2323771	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by manual patch-clamp electrophysiology method
50019542	1	ChEMBL_2323795	Antibiofilm activity against Enterococcus faecalis ATCC19433 assessed as inhibition of biofilm formation incubated for 24 hrs by crystal violet staining based broth microdilution method
50019543	1	ChEMBL_2323836	Inhibition of yeast alpha-glucosidase
50019543	2	ChEMBL_2323839	Inhibition of human lysosomal acid alpha-glucosidase incubated for 30 mins by fluorescence based spectrophotometry
50019543	3	ChEMBL_2323840	Inhibition of human lysosomal acid beta-glucosidase incubated for 30 mins by fluorescence based spectrophotometry
50019543	4	ChEMBL_2323849	Binding affinity to human lysosomal acid alpha-glucosidase assessed as inhibition constant incubated for 30 mins by fluorescence based spectrophotometry
50019544	1	ChEMBL_2323856	Inhibition of JAK1 (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	2	ChEMBL_2323857	Inhibition of JAK2 (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	3	ChEMBL_2323858	Inhibition of JAK3 (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	4	ChEMBL_2323859	Inhibition of TYK2 (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	5	ChEMBL_2323860	Inhibition of IL-6 stimulated STAT3 phosphorylation in HEK-Blue IL-6 cells incubated for 20 to 24 hrs by QUANTI-Blue assay
50019544	6	ChEMBL_2323863	Inhibition of AURKB (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	7	ChEMBL_2323864	Inhibition of KDR (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	8	ChEMBL_2323865	Inhibition of ABL1 (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019544	9	ChEMBL_2323866	Inhibition of GSK3B (unknown origin) incubated for 45 to 120 mins in presence of ATP by Kinase-Glo luminescent assay
50019545	1	ChEMBL_2323930	Binding affinity to N-terminal Nluc-tagged human succinate receptor 1 expressed in human Flp-In-T-REx-293 cells using assessed as dissociation constant incubated with for 30 mins by NanoBRET assay
50019545	2	ChEMBL_2323933	Binding affinity to N-terminal Nluc-tagged mouse succinate receptor 1 expressed in human Flp-In-T-REx-293 cells using assessed as dissociation constant incubated with for 30 mins by NanoBRET assay
50019545	3	ChEMBL_2323937	Binding affinity to N-terminal Nluc-tagged human succinate receptor 1 expressed in Flp-In-T-REx-293 cells assessed as dissociation constant incubated for 5 mins by NanoBRET assay
50019545	4	ChEMBL_2323940	Binding affinity to N-terminal Nluc-tagged human succinate receptor 1 expressed in human Flp-In-T-REx-293 cells assessed as dissociation constant incubated for 15 mins by BRET assay
50019545	5	ChEMBL_2323943	Binding affinity to N-terminal Nluc-tagged mouse succinate receptor 1 expressed in human Flp-In-T-REx-293 cells assessed as dissociation constant incubated for 10 mins by BRET assay
50019546	1	ChEMBL_2323983	Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as adriamycin IC50 using adriamycin as substrate at 5 uM
50019546	2	ChEMBL_2323984	Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as adriamycin IC50 using adriamycin as substrate at 10 uM
50019546	3	ChEMBL_2323985	Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as cisplatin IC50 using cisplatin as substrate at 5 uM
50019546	4	ChEMBL_2323986	Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as cisplatin IC50 using cisplatin as substrate at 10 uM
50019546	5	ChEMBL_2323987	Inhibition of ABCC1 (unknown origin) overexpressing human KBV cells mediated efflux assessed as cisplatin IC50 using cisplatin as substrate at 25 uM
50019547	1	ChEMBL_2324015	Inhibition of 5-LOX in human PMNL assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation preincubated for 15 mins followed by A23187 addition and measured after 10 mins by RP-HPLC analysis
50019547	2	ChEMBL_2324016	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) assessed as reduction in all-trans isomers of LTB4 and 5-HETE formation using arachidonic acid as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 10 mins by RP-HPLC analysis
50019547	3	ChEMBL_2324017	Inhibition of human recombinant sEH expressed in baculovirus infected Sf9 insect cells assessed as reduction in 6-methoxynaphthaldehyde formation using PHOME as substrate preincubated for 1 min followed by substrate addition and measured after 60 mins by fluorescence based analysis
50019547	4	ChEMBL_2324018	Inhibition of sEH (unknown origin)
50019547	5	ChEMBL_2324034	Inhibition of COX-2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production pretreated for 2 hrs followed by stimulation with LPS measured after 24 hrs by ELISA analysis
50019547	6	ChEMBL_2324054	Inhibition of 5-LOX (unknown origin)
50019548	1	ChEMBL_2324055	Positive allosteric modulation of human Y4 receptor transfected with COS-7 cells co-transfected with delta6Galphaqi4-myr assessed as potentiation of pancreatic polypeptide EC20 response measured after 240 secs by calcium 2+ flux assay
50019548	2	ChEMBL_2324059	Displacement of K22-[TAMRA]-Nle-17,30-PP from human Nluc-tagged Y4R transfected with COS-7 cells assessed as inhibition constant of pancreatic polypeptide incubated for 5 mins followed by substrate addition by NanoBRET assay (Rvb = 2.7 nM )
50019548	3	ChEMBL_2324060	Displacement of K22-[TAMRA]-Nle-17,30-PP from human Nluc-Y4R transfected with COS-7 cells assessed as dissociation constant of K22-[TAMRA]-Nle-17,30-PP incubated for 5 mins followed by substrate addition by NanoBRET assay (Rvb = 32 nM )
50019548	4	ChEMBL_2324061	Positive allosteric modulation of YFP tagged human Y1 receptor transfected with COS-7 cells co-transfected with delta6Galphaqi4-myr measured after 24 hrs by calcium 2+ flux assay (Rvb = 64.6 pM )
50019548	5	ChEMBL_2324062	Positive allosteric modulation of YFP tagged human Y2 receptor transfected with COS-7 cells co-transfected with delta6Galphaqi4-myr measured after 24 hrs by calcium 2+ flux assay (Rvb = 16.9 pM )
50019548	6	ChEMBL_2324063	Positive allosteric modulation of YFP tagged human Y4 receptor transfected with COS-7 cells co-transfected with delta6Galphaqi4-myr measured after 24 hrs by calcium 2+ flux assay (Rvb = 91.1 pM )
50019548	7	ChEMBL_2324064	Positive allosteric modulation of YFP tagged human Y5 receptor transfected with COS-7 cells co-transfected with delta6Galphaqi4-myr measured after 24 hrs by calcium 2+ flux assay (Rvb = 2.43 nM )
50019548	8	ChEMBL_2324066	Positive allosteric modulation of mouse Y4 receptor transfected with COS-7 cells assessed as activation of G-protein signaling measured after 24 hrs by calcium 2+ flux assay
50019548	9	ChEMBL_2324067	Positive allosteric modulation of rat Y4 receptor transfected with COS-7 cells assessed as activation of G-protein signaling measured after 24 hrs by calcium 2+ flux assay
50019549	1	ChEMBL_2324084	Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using PP as substrate preincubated for 10 mins and followed by substrate addition and measured for 10 mins by microplate reader analysis
50019549	2	ChEMBL_2324087	Binding affinity to recombinant human MIF expressed in Escherichia coli BL21 incubated for 10 mins by MST assay
50019550	1	ChEMBL_2324106	Inhibition of Plasmodium falciparum DHODH
50019550	2	ChEMBL_2324107	Inhibition of human DHODH
50019551	1	ChEMBL_2324150	Binding affinity to full length PHD2 (181 to 426 residues) (unknown origin) by fluorescence polarization assay
50019552	1	ChEMBL_2324320	Inhibition of human STS expressed in human T47D cells using [3H]E1S as substrate incubated for 1 hr followed by substrate addition measured after 24 hrs in presence of E1S by HPLC analysis
50019552	2	ChEMBL_2324321	Inhibition of human 17beta-HSD1 expressed in human T47D cells using [3H]E1 as substrate incubated for 1 hr followed by substrate addition measured after 40 mins in presence of E1 by HPLC analysis
50019552	3	ChEMBL_2324327	Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]E1 as substrate measured after 10 mins in presence of NADH by HPLC analysis
50019552	4	ChEMBL_2324328	Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]E2 as substrate measured after 20 mins in presence of NAD+ by HPLC analysis
50019552	5	ChEMBL_2324330	Irreversible inhibition of human STS expressed in human T47D cells using [3H]E1S as substrate preincubated for 2 hr followed by substrate addition measured after 24 hrs in presence of E1S by HPLC analysis
50019553	1	ChEMBL_2324466	Displacement of [3H]ketanserin from human brain cortex 5-HT2A receptor by Cheng-Prusoff equation analysis
50019553	2	ChEMBL_2324467	Displacement of [3H]ketanserin human recombinant 5-HT2A receptor by Cheng-Prusoff equation analysis
50019553	3	ChEMBL_2324473	Inverse agonist activity at human prefrontal cortex 5-HT2A receptor assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry analysis
50019553	4	ChEMBL_2324475	Inverse agonist activity at human 5-HT2A receptor expressed in cell membrane assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry analysis
50019554	1	ChEMBL_2324478	Inhibition of BRD4 BD1 (K57-E168) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 5-FAM-labeled (+)-JQJ based FP competition assay
50019554	2	ChEMBL_2324479	Inhibition of BRD4 BD2 (E352-M457) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 5-FAM-labeled (+)-JQJ based FP competition assay
50019554	3	ChEMBL_2324480	Binding affinity to Monolith TM RED-NHS-labelled BRD4 BD1 (K57-E168) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by MST assay
50019554	4	ChEMBL_2324486	Inhibition of CYP450 1A2 (unknown origin) measured after 20 mins by LC-MS/MS analysis
50019554	5	ChEMBL_2324487	Inhibition of CYP450 2C9 (unknown origin) measured after 20 mins by LC-MS/MS analysis
50019554	6	ChEMBL_2324488	Inhibition of CYP450 2C19 (unknown origin) measured after 20 mins by LC-MS/MS analysis
50019554	7	ChEMBL_2324489	Inhibition of CYP450 2D6 (unknown origin) measured after 20 mins by LC-MS/MS analysis
50019554	8	ChEMBL_2324490	Inhibition of CYP450 3A4 (unknown origin) measured after 20 mins by LC-MS/MS analysis
50019554	9	ChEMBL_2324491	Inhibition of hERG (unknown origin)
50019555	1	ChEMBL_2324531	Displacement of Fluormone AL Green from androgen receptor LBD (unknown origin) incubated for 4 hrs by fluorescence polarization assay
50019555	2	ChEMBL_2324540	Induction of androgen receptor degradation in human VCaP cells incubated for 24 hrs by Western blot analysis
50019555	3	ChEMBL_2324544	Induction of androgen receptor degradation in human LNCaP cells incubated for 24 hrs by Western blot analysis
50019555	4	ChEMBL_2324583	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC/MS analysis
50019555	5	ChEMBL_2324584	Inhibition of CYP2B6 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC/MS analysis
50019555	6	ChEMBL_2324585	Inhibition of CYP2C8 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 20 mins by LC/MS analysis
50019555	7	ChEMBL_2324586	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC/MS analysis
50019555	8	ChEMBL_2324587	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC/MS analysis
50019555	9	ChEMBL_2324588	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 10 mins by LC/MS analysis
50019555	10	ChEMBL_2324589	Inhibition of CYP3A4 in human liver microsomes using methionine as substrate preincubated for 5 mins followed by NADPH addition and measured after 5 mins by LC/MS analysis
50019555	11	ChEMBL_2324590	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured after 5 mins by LC/MS analysis
50019555	12	ChEMBL_2324591	Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp assay
50019556	1	ChEMBL_2324631	Antagonist activity at human P2Y14R stably expressed in rat C6 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by measuring inhibition constant incubated for 15 mins in presence of IBMX by chromatography
50019556	2	ChEMBL_2324633	Displacement of fluorescent tracer 4-(4-(1-(4-(1-(6-(3-carboxylato-4-(3-iminio-3H-xanthen-9-yl)benzamido)hexyl)-4,5-dihydro-1H-pyrrol-3-yl)butyl)piperidin-1-ium-4-yl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoate from human P2Y14R stably expressed in CHO cells by flow cytometry
50019556	3	ChEMBL_2324634	Displacement of fluorescent tracer 4-(4-(1-(4-(1-(6-(3-carboxylato-4-(3-iminio-3H-xanthen-9-yl)benzamido)hexyl)-4,5-dihydro-1H-pyrrol-3-yl)butyl)piperidin-1-ium-4-yl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoate from human P2Y14R stably expressed in CHO cells assessed as inhibition constant by flow cytometry
50019556	4	ChEMBL_2324636	Binding affinity to human P2Y14R stably expressed in CHO cells assessed as dissociation constant by Cheng-prusoff equation analysis
50019556	5	ChEMBL_2324639	Displacement of fluorescent tracer 4-(4-(1-(4-(1-(6-(3-carboxylato-4-(3-iminio-3H-xanthen-9-yl)benzamido)hexyl)-4,5-dihydro-1H-pyrrol-3-yl)butyl)piperidin-1-ium-4-yl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoate from mouse P2Y14R stably expressed in human HEK293 cells by flow cytometry
50019556	6	ChEMBL_2324642	Displacement of [3H]-Pentazocine from human sigma 1 receptor assessed as inhibition constant by radioligand displacement assay
50019556	7	ChEMBL_2324643	Displacement of [3H]-DTG from human sigma 2 receptor assessed as inhibition constant by radioligand displacement assay
50019556	8	ChEMBL_2324644	Displacement of [3H]-5-CT from human 5-HT1B receptor assessed as inhibition constant by radioligand displacement assay
50019556	9	ChEMBL_2324645	Displacement of [3H]-Ketanserin from human 5-HT2A receptor assessed as inhibition constant by radioligand displacement assay
50019556	10	ChEMBL_2324646	Displacement of [3H]-Ketanserin from human muscarinic M5 receptor assessed as inhibition constant by radioligand displacement assay
50019556	11	ChEMBL_2324647	Displacement of [3H]-Pyrilamine from human histamine H1 receptor assessed as inhibition constant by radioligand displacement assay
50019556	12	ChEMBL_2324648	Displacement of [125I]-Pindolol from human adrenergic beta3 receptor assessed as inhibition constant by radioligand displacement assay
50019556	13	ChEMBL_2324649	Displacement of [3H]-Prazosin from human adrenergic alpha1B receptor assessed as inhibition constant by radioligand displacement assay
50019556	14	ChEMBL_2324650	Displacement of [3H]-Rauwolscine from human adrenergic alpha2A receptor assessed as inhibition constant by radioligand displacement assay
50019556	15	ChEMBL_2324665	Inhibition of CYP1A2 (unknown origin)
50019556	16	ChEMBL_2324666	Inhibition of CYP2C9 (unknown origin)
50019556	17	ChEMBL_2324667	Inhibition of CYP2C19 (unknown origin)
50019556	18	ChEMBL_2324668	Inhibition of CYP2D6 (unknown origin)
50019556	19	ChEMBL_2324669	Inhibition of CYP3A4 (unknown origin)
50019556	20	ChEMBL_2324676	Inhibition of human ERG stably expressed in human HEK293 cells incubated for 2 hrs by TAMRA based fuorescence polarization assay
50019557	1	ChEMBL_2324716	Binding affinity to Keap1 (unknown origin) assessed as dissociation constant incubated for 200 sec by sensor chip immobilization based surface plasmon resonance analysis
50019558	1	ChEMBL_2324826	Displacement of [3H]Dofetilide from human ERG
50019559	1	ChEMBL_2324867	Inhibition of biotinylated Avi-His tagged GDP-bound human KRAS G12C mutant (1 to 166 residues) expressed in Escherichia coli assessed as inhibition of GTPgammaS KRAS G12C mutant/SOS/GST-Raf RBD interaction using GST-Avi-Tev- tagged Raf-1 as substrate preincubated for 4 hrs followed by substrate addition in presence of SOS1 by FRET assay
50019560	1	ChEMBL_2324911	Inhibition of mTOR in TSC1 knockout mouse MEF cells assessed as reduction in phosphorylated S6 level at serine 240/244 residues incubated for 2 hrs by Hoechst/Alexa Fluor 647 staining based analysis
50019560	2	ChEMBL_2324914	Inhibition of PI3Kalpha (unknown origin)
50019560	3	ChEMBL_2324915	Inhibition of PI3Kbeta (unknown origin)
50019560	4	ChEMBL_2324916	Inhibition of PI3Kgamma (unknown origin)
50019560	5	ChEMBL_2324917	Inhibition of PI3Kdelta (unknown origin)
50019560	6	ChEMBL_2324918	Inhibition of CYP3A4 (unknown origin)
50019560	7	ChEMBL_2324919	Inhibition of CYP2D6 (unknown origin)
50019560	8	ChEMBL_2324920	Inhibition of CYP2C9 (unknown origin)
50019560	9	ChEMBL_2324930	Inhibition of ATR (unknown origin)-driven CHK1 phosphorylation
50019560	10	ChEMBL_2324931	Inhibition of PDE4D (unknown origin)
50019560	11	ChEMBL_2324967	Inhibition of mTOR in Tsc1 knockout mouse neurons assessed as reduction in phosphorylated S6 level incubated for 4 hrs by Hoechst staining based immunofluorescence analysis
50019561	1	ChEMBL_2325132	Displacement of [3H]SCH-23390 from human dopamine D1 receptor assessed as inhibition constant
50019561	2	ChEMBL_2325133	Displacement of [3H]N-methylspiperone from human dopamine D2 receptor assessed as inhibition constant
50019561	3	ChEMBL_2325134	Displacement of [3H]N-methylspiperone from human dopamine D3 receptor assessed as inhibition constant
50019561	4	ChEMBL_2325141	Antagonist activity at human dopamine D1 receptor expressed in HEK-T cells assessed as inhibition of dopamine-induced cAMP production incubated for 15 mins by luciferase based Glosensor assay
50019561	5	ChEMBL_2325142	Agonist activity at human dopamine D1 receptor expressed in HEK-T cells assessed as cAMP production incubated for 15 mins by luciferase based Glosensor assay
50019561	6	ChEMBL_2325143	Antagonist activity at N-terminal Flag epitope tagged human dopamine D1 receptor expressed in HTLA cells assessed as inhibition of dopamine-induced beta-arrestin translocation activity preincubated for 30 mins followed by dopamine addition by luminescence based GPCR-TANGO assay
50019561	7	ChEMBL_2325144	Agonist activity at N-terminal Flag epitope tagged human dopamine D1 receptor expressed in HTLA cells assessed as beta-arrestin translocation activity by luminescence based GPCR-TANGO assay
50019561	8	ChEMBL_2325145	Antagonist activity at human dopamine D3 receptor expressed in HEK-T cells assessed as inhibition of dopamine-induced cAMP production preincubated for 5 followed by dopamine and NKH-477 addition and measured after 30 mins by fluorescence based analysis
50019561	9	ChEMBL_2325146	Agonist activity at human dopamine D3 receptor expressed in HEK-T cells assessed as cAMP production incubated for 30 mins in the presence of NKH-477 by fluorescence based analysis
50019561	10	ChEMBL_2325147	Antagonist activity at human dopamine D3 receptor expressed in pathHunter cells assessed as inhibition of dopamine-induced beta-arrestin translocation activity preincubated for 30 mins followed by dopamine addition and measured after 90 to 180 min by pathHunter microplate based TANGO assay
50019561	11	ChEMBL_2325148	Agonist activity at human dopamine D3 receptor expressed in pathHunter cells assessed as beta-arrestin translocation activity incubated for 90 to 180 mins by pathHunter microplate based TANGO assay
50019563	1	ChEMBL_2325156	Inhibition of rat nNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assay
50019563	2	ChEMBL_2325157	Inhibition of human nNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assay
50019563	3	ChEMBL_2325158	Inhibition of human iNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assay
50019563	4	ChEMBL_2325159	Inhibition of human eNOS expressed in Escherichia coli using human oxyhemoglobin by hemoglobin (Hb) NO capture assay
50019564	1	ChEMBL_2325170	Binding affinity to human recombinant carbonic anhydrase 1 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	2	ChEMBL_2325171	Binding affinity to human recombinant carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	3	ChEMBL_2325172	Binding affinity to human recombinant carbonic anhydrase 4 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	4	ChEMBL_2325173	Binding affinity to human recombinant carbonic anhydrase 5A assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	5	ChEMBL_2325174	Binding affinity to human recombinant carbonic anhydrase 5B assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	6	ChEMBL_2325175	Binding affinity to human recombinant carbonic anhydrase 7 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019564	7	ChEMBL_2325176	Binding affinity to human recombinant carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019567	1	ChEMBL_2325189	Inhibition of doxycycline-inducible human DLK transfected in HEK293 cells assessed as reduction in c-Jun phosphorylation at Ser63 residue incubated for 5 hrs
50019567	2	ChEMBL_2325206	Inhibition of hERG expressed in CHO cells at -80 mV holding potential by QPatch automated electrophysiology assay
50019567	3	ChEMBL_2325223	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019567	4	ChEMBL_2325224	Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019567	5	ChEMBL_2325225	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50019567	6	ChEMBL_2325226	Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 45 mins in presence of NADPH by LC-MS/MS analysis
50019568	1	ChEMBL_2325261	Negative allosteric modulation of mu opioid receptor (unknown origin)
50019568	2	ChEMBL_2325262	Negative allosteric modulation of human mu opioid receptor expressed in HEK293 cells assessed as increase in cAMP accumulation incubated for 15 mins in presence of DAMGO
50019568	3	ChEMBL_2325264	Negative allosteric modulation of human mu opioid receptor expressed in HEK293 cells assessed as increase in cAMP accumulation in presence of fentanyl
50019569	1	ChEMBL_2325275	Binding affinity to N-terminal his-tagged human SIRT3 (114 to 380 residues) assessed as dissociation constant by SPR analysis
50019570	1	ChEMBL_2325339	Displacement of [3H]UR-MK299 from human Y1 receptor expressed in human SK-N-MC cells measured after 90 mins by MicroBeta plate counter based competition binding assay
50019570	2	ChEMBL_2325340	Displacement of [3H]propionyl-pNPY from human Y2 receptor expressed in CHO cells measured after 90 mins by MicroBeta plate counter based competition binding assay
50019570	3	ChEMBL_2325341	Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO-Gqi5-mtAQE cells measured after 90 mins by MicroBeta plate counter based competition binding assay
50019570	4	ChEMBL_2325342	Agonist potency at human Y4 receptor expressed in HEK293T-NlucN-mGSi/Y4R-NlucC cells by miniGsi protein recruitment assay
50019570	5	ChEMBL_2325343	Displacement of [3H]propionyl-pNPY from human Y5 receptor expressed in HEC-1B cells measured after 90 mins by MicroBeta plate counter based competition binding assay
50019572	1	ChEMBL_2325350	Inhibition of human PD-1/PD-L1 interaction assessed as induction of PD-L1 dimerization incubated for 2 hrs by HTRF analysis
50019572	2	ChEMBL_2325351	Binding affinity to human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by MST assay
50019572	3	ChEMBL_2325352	Inhibition of PD-1/PD-L1 interaction in human Jurkat T cells cocultured with artificial antigen presenting cells assessed as increase in TCR-mediated Jurkat T cells activation by measuring increase in luciferase signal incubated for 6 hrs by Bio-Glo reagent based luciferase assay
50019573	1	ChEMBL_2325363	Inhibition of human ERG by patch clamp assay
50019573	2	ChEMBL_2325364	Induction of androgen receptor degradation in human LNCaP cells incubated for 24 hrs by ELISA
50019573	3	ChEMBL_2325366	Inhibition of recombinant human CYP17A1 using progesterone as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50019573	4	ChEMBL_2325367	Antagonist activity at wild type androgen receptor expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay
50019573	5	ChEMBL_2325369	Antagonist activity at androgen receptor F876L mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay
50019573	6	ChEMBL_2325371	Antagonist activity at androgen receptor W741L mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay
50019573	7	ChEMBL_2325373	Antagonist activity at androgen receptor T877A mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of androgen receptor incubated for 24 hrs by Steady-Glo assay
50019573	8	ChEMBL_2325407	Antagonist activity at PR (unknown origin)
50019573	9	ChEMBL_2325408	Antagonist activity at GR (unknown origin)
50019573	10	ChEMBL_2325409	Antagonist activity at ERbeta (unknown origin)
50019573	11	ChEMBL_2325410	Antagonist activity at ERalpha (unknown origin)
50019573	12	ChEMBL_2325419	Inhibition of CYP1A2 (unknown origin)
50019573	13	ChEMBL_2325420	Inhibition of CYP2C19 (unknown origin)
50019573	14	ChEMBL_2325421	Inhibition of CYP2C9 (unknown origin)
50019573	15	ChEMBL_2325422	Inhibition of CYP2D6 (unknown origin)
50019573	16	ChEMBL_2325423	Inhibition of CYP3A4 (unknown origin) using midazolam substrate
50019573	17	ChEMBL_2325424	Inhibition of CYP3A4 (unknown origin) using testosterone as substrate
50019575	1	ChEMBL_2325523	Binding affinity to histamine H3 receptor (unknown origin) assessed as inhibition constant
50019576	1	ChEMBL_2325677	Activation of purified human PLK (unknown origin) assessed as ATP production by Kinase-Glo Max luminescence assay
50019576	2	ChEMBL_2325678	Inhibition of purified human PLK (unknown origin) assessed as ATP production by Kinase-Glo Max luminescence assay
50019577	1	ChEMBL_2325681	Inhibition of tau (unknown origin) aggregation expressed in Escherichia coli BL21 (DE3)
50019577	2	ChEMBL_2325682	Inhibition of amyloid beta 40 peptide (unknown origin) aggregation incubated for 2 hr by ThT fluorescence based spectrofluorimetric analysis
50019577	3	ChEMBL_2325683	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50019577	4	ChEMBL_2325684	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50019577	5	ChEMBL_2325685	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50019577	6	ChEMBL_2325686	Inhibition of human recombinant BChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by DTNB reagent based Ellman's method
50019578	1	ChEMBL_2325742	Inhibition of full-length recombinant human NAMPT (2 to 491 residues) expressed in Escherichia coli using NAM as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by fluorescence based assay
50019579	1	ChEMBL_2325791	Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 30 mins in absence of GSH followed by substrate addition measured after 30 mins by FRET assay
50019579	2	ChEMBL_2325792	Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 30 mins in presence of GSH followed by substrate addition measured after 30 mins by FRET assay
50019579	3	ChEMBL_2325794	Inhibition of SARS-CoV N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 30 mins in absence of GSH followed by substrate addition measured after 30 mins by FRET assay
50019579	4	ChEMBL_2325797	Inhibition of human Cathepsin L using HiLyte Fluor488TM as substrate pre-incubated for 60 mins in presence of GSH followed by substrate addition measured after 30 mins by fluorescence based assay
50019579	5	ChEMBL_2325798	Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-Glu-Edans fluorogenic peptide as substrate pre-incubated for 60 mins in presence of GSH followed by substrate addition measured after 30 mins by FRET assay
50019580	1	ChEMBL_2325819	Inhibition of N-terminal His6-tagged human Sirt2 (25 to 389 residues) using ZMAL as substrate incubated for 4 hrs by fluorescence based assay
50019581	1	ChEMBL_2325870	Inhibition of CDK12/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo luminescence assay
50019581	2	ChEMBL_2325871	Inhibition of CDK13/Cyclin K (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 200 mins by ADP-Glo luminescence assay
50019582	1	ChEMBL_2325936	Inhibition of SARS-CoV-2 Main Protease
50019582	2	ChEMBL_2325939	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by affinity chromatography method
50019582	3	ChEMBL_2325940	Inhibition of ACE2 (unknown origin)
50019582	4	ChEMBL_2325941	Inhibition of Hepatitis C virus NS5B polymerase
50019582	5	ChEMBL_2325942	Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase
50019582	6	ChEMBL_2325943	Inhibition of wild type HIV-1 reverse transcriptase
50019582	7	ChEMBL_2325964	Inhibition of HIV-1 protease
50019582	8	ChEMBL_2325970	Inhibition of SARS-CoV-2 PLpro
50019582	9	ChEMBL_2325971	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorescence based assay
50019582	10	ChEMBL_2325992	Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay
50019582	11	ChEMBL_2325993	Inhibition of SARS-CoV 3CLpro
50019583	1	ChEMBL_2325997	Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant
50019583	2	ChEMBL_2325998	Inhibition of SARS-C0V-2 main protease
50019583	3	ChEMBL_2326005	Inhibition of SARS-CoV-2 Main protease
50019583	4	ChEMBL_2326007	Inhibition of SARS-CoV-2 3CL protease assessed as inhibition constant
50019583	5	ChEMBL_2326008	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50019583	6	ChEMBL_2326009	Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using (KTSAVLQSGFRKME) as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay
50019583	7	ChEMBL_2326010	Inhibition of C-terminal His6-tagged recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3)
50019583	8	ChEMBL_2326011	Inhibition of N-terminal His6-tagged SARS-CoV-2 Main protease
50019583	9	ChEMBL_2326012	Inhibition of SARS-COV2 Main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assay
50019583	10	ChEMBL_2326013	Inhibition of N-terminal His-tagged SARS-CoV-2 3CLpro by microplate reader assay
50019583	11	ChEMBL_2326014	Inhibition of N-terminal 6His-tagges SARS-CoV-2 PLpro Wuhan (1524 to 1883 residues) expressed in Escherichia coli BL21(DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by fluorescence based assay
50019583	12	ChEMBL_2326015	Inhibition of N-terminal 6his/TEV-fused GST tagged full length SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) by chromatography method
50019583	13	ChEMBL_2326016	Inhibition of N-terminal GST-tagged SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by FRET analysis
50019583	14	ChEMBL_2326017	Inhibition of N-terminal full length GST-tagged SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) by using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay
50019583	15	ChEMBL_2326018	Inhibition of C-terminal GST-tagged SARS-CoV-2 Main protease by using MCA-AVLQSGFR(Dnp)-Lys-NH2 as fluorogenic substrate incubated for 15 mins followed by substrate addition by spectrophotometric analysis
50019583	16	ChEMBL_2326019	Inhibition of SARS-CoV-1 MPro
50019583	17	ChEMBL_2326020	Inhibition of SARS-CoV-2 Main protease by FRET assay
50019583	18	ChEMBL_2326021	Inhibition of N-terminal SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) by using MCA-AVLQSGFR-Lys (Dnp)-Lys-NH as fluorogenic substrate by FRET assay
50019583	19	ChEMBL_2326022	Binding affinity to C-terminal His6-tagged recombinant SARS-CoV-2 MPro assessed as inhibition constant
50019583	20	ChEMBL_2326024	Inhibition of N-terminal His-tagged recombinant SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using Mca-AVLQSGFR-K(Dnp)K as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by FRET assay
50019583	21	ChEMBL_2326026	Inhibition of GST-tagged SARS-CoV-2 Main protease expressed in Escherichia coli BL21 using Dabcyl-Val-Asn-Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-EDANS as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hrs by FRET assay
50019583	22	ChEMBL_2326028	Inhibition of His-tagged SARS-CoV-2 Main protease BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME(Edan) as substrate followed by compound addition by FRET assay
50019583	23	ChEMBL_2326030	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition and measured after 10 mins by fluorescence based assay
50019583	24	ChEMBL_2326031	Inhibition of full length GST-tagged SARS-CoV-2 Main protease expressed in Escherichia coli
50019583	25	ChEMBL_2326033	Binding affinity to recombinant SARS-CoV-2 Main protease assessed as inhibition constant
50019583	26	ChEMBL_2326034	Binding affinity to recombinant SARS-CoV-1 Main protease assessed as inhibition constant
50019583	27	ChEMBL_2326040	Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant by FRET assay
50019583	28	ChEMBL_2326041	Inhibition of recombinant SARS-CoV-1 Main protease
50019583	29	ChEMBL_2326048	Inhibition of recombinant N-terminal SARS-CoV-2 Main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate incubated for 1 hr by FRET assay
50019583	30	ChEMBL_2326049	Inhibition of SARA-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assay
50019583	31	ChEMBL_2326050	Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant
50019583	32	ChEMBL_2326051	Inhibition of recombinant N-terminal GST-tagged SARS-Cov-2 Main protease
50019583	33	ChEMBL_2326054	Inhibition of C-terminal SARS-CoV-2 Main protease expressed in Escherichia coli using ALNDFSNSGSDVLYQPPQTSITSAVLQ/SGFRKMAFPS-NH2 as substrate preincubated for 5 mins followed by compound addition and measured after 20 mins by FRET analysis
50019583	34	ChEMBL_2326055	Inhibition of N-terminal GST-tagged SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using DABCYL-KTSAVLQSGFRKME-EDANS as fluorogenic substrate preincubated for 10 mins followed by compound addition and measured after 1 hr by FRET assay
50019583	35	ChEMBL_2326056	Inhibition of N-terminal full length SARS-CoV-2 Main protease using Thr-Ser-Ala-Val-Leu-Gln-pNA as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins by FRET assay
50019583	36	ChEMBL_2326057	Binding affinity to N-terminal full length SARS-CoV-2 Main protease assessed as inhibition constant
50019583	37	ChEMBL_2326060	Inhibition of SARS-CoV-2 Main protease using as Dabcyl-KNSTLQSGLRKE-Edans substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by Fluorescence based analysis
50019583	38	ChEMBL_2326061	Binding affinity to SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant
50019584	1	ChEMBL_2326065	Inhibition of recombinant human N-terminal HA-tagged wild type MLK3
50019584	2	ChEMBL_2326066	Inhibition of recombinant GST-tagged MLK1 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography method
50019584	3	ChEMBL_2326067	Inhibition of recombinant GST-tagged MLK2 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography method
50019584	4	ChEMBL_2326068	Inhibition of recombinant GST-tagged MLK3 (unknown origin) expressed in Baculovirus infected Sf21 cells incubated for 1 hr by affinity chromatography method
50019584	5	ChEMBL_2326069	Inhibition of MLK1 (unknown origin)
50019584	6	ChEMBL_2326070	Inhibition of MLK3 (unknown origin)
50019585	1	ChEMBL_2326071	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using fluorogenic peptide Dabcyl-KLSAVLQSGFRKM-Edans-NH2 as substrate incubated for 30 mins by fluorescence resonance energy transfer (FRET)-based enzymatic assay
50019585	2	ChEMBL_2326073	Inhibition of human Caspase 2 using fluorogenic substrate by FRET-based assay
50019585	3	ChEMBL_2326074	Inhibition of human Cathepsin L using fluorogenic substrate by FRET-based assay
50019585	4	ChEMBL_2326075	Inhibition of human Thrombin using fluorogenic substrate by FRET-based assay
50019585	5	ChEMBL_2326076	Inhibition of human Cathepsin B using fluorogenic substrate by FRET-based assay
50019585	6	ChEMBL_2326077	Inhibition of human Cathepsin D using fluorogenic substrate by FRET-based assay
50019586	1	ChEMBL_2326165	Inhibition of NLRP3-dependent pyroptosis in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/ATP-induced cell death pretreated for 4 hrs with LPS followed by incubation with compound for 1 hr and later treated with ATP for 1.5 hrs by LDH assay
50019586	2	ChEMBL_2326166	Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/ATP-induced IL-1 beta release pretreated for 4 hrs with LPS followed by incubation with compound for 1 hr and later treated with ATP for 1.5 hrs by ELISA
50019587	1	ChEMBL_2326230	Displacement of [3H]DPCPX from human A1R expressed in Flp-In-CHO cells incubated for 12 hrs by microbeta plate counter analysis
50019587	2	ChEMBL_2326235	Antagonist activity at human A1R expressed in Flp-In-CHO cells assessed as NECA-mediated reduction in forskolin-stimulated cAMP accumulation by measuring equilibrium dissociation constant incubated for 30 to 60 mins followed by forskolin/NECA addition measured after 30 mins by LANCE cAMP assay
50019590	1	ChEMBL_2326260	Binding affinity to CM5 chip immobilised recombinant mouse perforin expressed in baculovirus-infected Sf21 cells by SPR analysis
50019591	1	ChEMBL_2326333	Binding affinity to CM4 sensorchip immobilized glycosylated C-terminal His tagged human BAG3 transfected in HEK293T cells assessed as dissociation constant by SPR analysis
50019592	1	ChEMBL_2326394	Agonist activity at human TGR5 transfected in HEK293T cells by CRE-driven luciferase reporter assay
50019592	2	ChEMBL_2326398	Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP level incubated for 60 mins by HTR-FRET assay
50019592	3	ChEMBL_2326400	Activation of GST-tagged FXR LBD (unknown origin) using biotinylated Src-1 peptide as substrate by AlphaScreen assay
50019592	4	ChEMBL_2326408	Activation of GST-tagged PXR (unknown origin) by luminescence based assay
50019593	1	ChEMBL_2326422	Binding affinity to wild-type TTR (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysis
50019593	2	ChEMBL_2326426	Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysis
50019593	3	ChEMBL_2326430	Binding affinity to TTR V122I mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysis
50019597	1	ChEMBL_2326461	Inhibition of mouse GAT1 transfected in HEK293 cells assessed as reduction in [3H]-GABA uptake preincubated for 25 mins followed by [3H]-GABA addition and measured after 4 mins by liquid scintillation counting analysis
50019597	2	ChEMBL_2326463	Inhibition of mouse GAT2 transfected in HEK293 cells assessed as reduction in [3H]-GABA uptake preincubated for 25 mins followed by [3H]-GABA addition and measured after 10 mins by liquid scintillation counting analysis
50019597	3	ChEMBL_2326466	Inhibition of mouse GAT4 transfected in HEK293 cells assessed as reduction in [3H]-GABA uptake preincubated for 25 mins followed by [3H]-GABA addition and measured after 4 mins by liquid scintillation counting analysis
50019597	4	ChEMBL_2326470	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50019597	5	ChEMBL_2326472	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50019597	6	ChEMBL_2326474	Inhibition of human recombinant BACE1 using Rh-EVNLDAEFK-quencher as substrate incubated for 60 mins by FRET assay
50019597	7	ChEMBL_2326502	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]-GABA uptake
50019597	8	ChEMBL_2326508	Inhibition of mouse GAT1
50019597	9	ChEMBL_2326509	Inhibition of mouse GAT2
50019597	10	ChEMBL_2326511	Inhibition of mouse GAT4
50019598	1	ChEMBL_2326513	Antagonist activity against human FPR1 expressed in human HL-60 cells assessed as inhibition of fMLF-induced calcium mobilization preincubated for 10 mins followed by fMLF addition and measured every 5s for 240s by Fluo4AM dye based scanning fluorimetric analysis
50019598	2	ChEMBL_2326574	Antagonist activity against human FPR1 expressed in human HL-60 cells assessed as inhibition of fMLF-induced calcium mobilization preincubated for 30 mins followed by fMLF addition and measured every 5s for 240s by Fluo4AM dye based scanning fluorimetric analysis
50019599	1	ChEMBL_2326634	Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50019599	2	ChEMBL_2326635	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50019599	3	ChEMBL_2326636	Displacement of [3H]-Ketanserin from 5-HT2A receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50019599	4	ChEMBL_2326637	Displacement of [3H]-5-CT from 5-HT7 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50019599	5	ChEMBL_2326739	Inhibition of hERG expressed in CHO cells at -90 mV holding potential by QPatch automated patch clamp assay
50019599	6	ChEMBL_2326779	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition constant incubated for 120 mins by Topcount scintillation counting analysis
50019599	7	ChEMBL_2326780	Binding affinity to 5-HT6 receptor (unknown origin)
50019599	8	ChEMBL_2326781	Partial agonist activity at 5-HT6 receptor (unknown origin)
50019599	9	ChEMBL_2326782	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50019600	1	ChEMBL_2326785	Inhibition of human recombinant HHAT using SHH-FAM peptide as substrate for 30 mins by acylation coupled lipophilic induction of polarization (acyl-cLIP) assay
50019600	2	ChEMBL_2326789	Inhibition of HHAT (unknown origin) assessed as inhibition constant by Pal-CoA Competitive assay
50019600	4	ChEMBL_2326791	Inhibition of HHAT in human HEK293a SHH+ cells incubated with compound for 24 hrs followed by transferred into SHH-Light2 cells cellular incubated for 48 hrs by Renilla/Firefly luciferase reporter assay
50019601	1	ChEMBL_2326799	Inhibition of N-terminal 3xFlag-tagged human TET1 catalytic domain (E1418 to V2136 residues) expressed in Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by DNA-cofactor addition and measured after 30 mins by Alphascreen assay
50019601	2	ChEMBL_2326800	Inhibition of His10-FLAG tagged human TET2 catalytic domain (Q969 to I2002 residues) expressed in Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by DNA-cofactor addition and measured after 10 mins by Alphascreen assay
50019601	3	ChEMBL_2326801	Inhibition of human TET3 catalytic domain (E824 to I1795 residues) expressed in mammalian cells using 5-methylcytosine as substrate preincubated for 10 mins followed by DNA-cofactor addition and measured after 10 mins by Alphascreen assay
50019601	4	ChEMBL_2326808	Competitive inhibition of His10-FLAG tagged human TET2 catalytic domain (Q969 to I2002 residues) expressed in Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by DNA-cofactor addition in presence of 2-OG and measured after 10 mins by Alphascreen assay
50019601	5	ChEMBL_2326809	Competitive inhibition of N-terminal 3xFlag-tagged human TET1 catalytic domain (E1418 to V2136 residues) expressed in Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by DNA-cofactor addition in presence of 2-OG and measured after 30 mins by Alphascreen assay
50019601	6	ChEMBL_2326813	Inhibition of tetracyclin/Dox-inducible N-terminal 3xFLAG/C-terminal GFP tagged human TET1 catalytic domain (1481 to 2136 residues) expressed in human U2OS cells assessed as reduction in 5-hydroxymethylcytosine level incubated for 24 hrs by immunofluorescence analysis
50019601	7	ChEMBL_2326817	Inhibition of tetracyclin/Dox-inducible N-terminal 3xFLAG tagged human TET2 catalytic domain (1129 to 2002 residues) expressed in human U2OS cells assessed as reduction in 5-hydroxymethylcytosine level incubated for 24 hrs by immunofluorescence analysis
50019601	8	ChEMBL_2326818	Inhibition of tetracyclin/Dox-inducible N-terminal 3xFLAG tagged human TET3 catalytic domain (824 to 1795 residues) expressed in human U2OS cells assessed as reduction in 5-hydroxymethylcytosine level incubated for 24 hrs by immunofluorescence analysis
50019601	9	ChEMBL_2326820	Inhibition of recombinant mouse TET1
50019601	10	ChEMBL_2326821	Inhibition of recombinant mouse TET2
50019601	11	ChEMBL_2326825	Inhibition of KDM4A (unknown origin)
50019601	12	ChEMBL_2326826	Inhibition of KDM2A (unknown origin)
50019601	13	ChEMBL_2326827	Inhibition of ABH2 (unknown origin)
50019601	14	ChEMBL_2326828	Inhibition of PHD2 (unknown origin)
50019601	15	ChEMBL_2326829	Inhibition of KDM5B (unknown origin)
50019603	1	ChEMBL_2326830	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019603	2	ChEMBL_2326831	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019603	3	ChEMBL_2326832	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019603	4	ChEMBL_2326833	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50019604	1	ChEMBL_2326879	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50019605	1	ChEMBL_2326884	Inhibition of recombinant SARS-CoV-2 3CL protease using Dabcyl-TSAVLQSGFRK-Glu-EDANS fluorogenic peptide as substrate pre-incubated for 30 mins followed by substrate addition measured for 10 mins by SpectraMax microplate reader analysis
50019605	2	ChEMBL_2326925	Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay
50019605	3	ChEMBL_2326926	Inhibition of CYP1A2 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50019605	4	ChEMBL_2326927	Inhibition of CYP2C19 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50019605	5	ChEMBL_2326928	Inhibition of CYP2C9 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50019605	6	ChEMBL_2326929	Inhibition of CYP2D6 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50019605	7	ChEMBL_2326930	Inhibition of CYP3A4 in human liver microsome incubated for 30 mins in presence of NADPH by LC-MS/MS analysis
50019605	8	ChEMBL_2326944	Inhibition of human Cathepsin B
50019605	9	ChEMBL_2326945	Inhibition of human Cathepsin K
50019605	10	ChEMBL_2326946	Inhibition of human Cathepsin L
50019605	11	ChEMBL_2326947	Inhibition of human Cathepsin L2
50019605	12	ChEMBL_2326948	Inhibition of human Cathepsin S
50019606	1	ChEMBL_2327003	Inhibition of HIV-1 protease by fluorescence resonance energy transfer analysis
50019607	1	ChEMBL_2327007	Inhibition of N-terminal HA-tagged recombinant wild-type human MLK3 overexpressed in HEK293A cells preincubated for 10 mins followed by [gamma-32P]ATP addition measured after 20 mins by immunoblot analysis
50019607	2	ChEMBL_2327008	Inhibition of N-terminal GST-tagged recombinant MLK3 (unknown origin) expressed in insect cells incubated for 15 mins in presence of [gamma-32P]ATP by scintillation counter analysis
50019607	3	ChEMBL_2327009	Inhibition of MLK3 (unknown origin) by cell-free radiolabeled ATP assay
50019607	4	ChEMBL_2327010	Inhibition of human MLK3 by ATP-competitive binding assay
50019607	5	ChEMBL_2327011	Inhibition of MLK1 (unknown origin)
50019613	1	ChEMBL_2327017	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin induced intracellular Ca2+ ions by fluorometric imaging plate reader analysis
50019614	1	ChEMBL_2327055	Inhibition of SERT (unknown origin)
50019614	2	ChEMBL_2327056	Inhibition of NET (unknown origin)
50019614	3	ChEMBL_2327061	Inhibition of DAT (unknown origin)
50019614	4	ChEMBL_2327063	Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant
50019614	5	ChEMBL_2327064	Agonist activity at 5HT2C receptor (unknown origin)
50019614	6	ChEMBL_2327065	Agonist activity at 5HT2B (unknown origin)
50019614	7	ChEMBL_2327066	Agonist activity at N-terminal HA-tagged human 5HT2A receptor
50019614	8	ChEMBL_2327072	Agonist activity at human 5HT2A receptor
50019614	9	ChEMBL_2327073	Binding affinity to human D2R assessed as inhibition constant
50019614	10	ChEMBL_2327074	Partial agonist activity at D2R (unknown origin) expressed in HEK293 cells
50019614	11	ChEMBL_2327076	Binding affinity to sigma1 receptor (unknown origin) assessed as inhibition constant
50019614	12	ChEMBL_2327077	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50019615	1	ChEMBL_2327088	Inhibition of PSMA (unknown origin)
50019617	1	ChEMBL_2327172	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019617	2	ChEMBL_2327173	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019617	3	ChEMBL_2327174	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019617	4	ChEMBL_2327175	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019617	5	ChEMBL_2327176	Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysis
50019617	6	ChEMBL_2327204	Inhibition of PLK1 (unknown origin) preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo kinase assay
50019617	7	ChEMBL_2327205	Inhibition of BRD4 (unknown origin) using BET peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by HTRF assay
50019617	8	ChEMBL_2327206	Inhibition of PLK1 (unknown origin)
50019617	9	ChEMBL_2327207	Inhibition of BRD4 (unknown origin)
50019617	10	ChEMBL_2327208	Competitive inhibition of PLK1 (unknown origin) in presence of ATP
50019618	1	ChEMBL_2327233	Inhibition of recombinant Bfl-1 (unknown origin) expressed in Escherichia coli LOBSTR BL21 incubated for 1 hrs by fluorescence polarization assay
50019618	2	ChEMBL_2327234	Inhibition of Bfl-1 (unknown origin) incubated in dark by fluorescence polarization assay
50019618	3	ChEMBL_2327235	Inhibition of GST-tagged Bfl-1 (unknown origin) incubated for 10 mins by TR-FRET assay
50019618	4	ChEMBL_2327236	Inhibition of GST fused Mcl-1 (unknown origin) incubated for 5 min by TR-FRET assay
50019618	5	ChEMBL_2327237	Inhibition of GST fused Bcl-w (unknown origin) incubated for 5 min by TR-FRET assay
50019618	6	ChEMBL_2327238	Inhibition of GST fused Bcl-2 (unknown origin) incubated for 5 min by TR-FRET assay
50019618	7	ChEMBL_2327239	Inhibition of GST fused Bcl-xL (unknown origin) incubated for 5 min by TR-FRET assay
50019618	8	ChEMBL_2327240	Inhibition of Bfl-1 (unknown origin) incubated for 30 min by fluorescence polarization assay
50019618	9	ChEMBL_2327241	Inhibition of GST-tagged Bfl-1 (unknown origin) incubated for 60 min by TR-FRET assay
50019618	10	ChEMBL_2327242	Inhibition of recombinant Bfl-1 (1-152) (unknown origin) by TR-FRET assay
50019618	11	ChEMBL_2327244	Inhibition of Bfl-1 (unknown origin) assessed as inhibition constant
50019618	12	ChEMBL_2327245	Inhibition of Mcl-1 (unknown origin) assessed as inhibition constant
50019619	1	ChEMBL_2327258	Inhibition of TLR3 in HEK-Blue hTLR3 assessed as inhibition of poly (I:C) induced SEAP signalling
50019620	1	ChEMBL_2327330	Inhibition of SARS-CoV-2 main protease
50019620	2	ChEMBL_2327331	Inhibition of SARS-CoV-1 Main Protease
50019622	1	ChEMBL_2327347	Inhibition of human Galectin-3
50019622	2	ChEMBL_2327348	Inhibition of mouse Galectin-3
50019622	3	ChEMBL_2327351	Inhibition of human Galectin-1
50019622	4	ChEMBL_2327352	Inhibition of human Galectin-9
50019622	5	ChEMBL_2327360	Binding affinity at recombinant human Galectin-3 assessed as dissociation constant by fluorescence anisotropy assay
50019623	1	ChEMBL_2327361	Inhibition of STS in human JEG-3 cell lysates assessed as inhibition of estrone E1 formation using [3H]estrone sulfate as substrate incubated for 1 hr in presence of E1S by scintillation spectrometry
50019623	2	ChEMBL_2327362	Inhibition of STS in human JEG-3 cells assessed as inhibition of estrone E1 formation using [3H]estrone sulfate as substrate incubated for 20 hrs in presence of E1S by scintillation spectrometry
50019623	3	ChEMBL_2327364	Displacement of [3H]estradiol from human ER-alpha expressed in Sf21 cells incubated for 120 mins by scintillation counting analysis
50019623	4	ChEMBL_2327368	Antagonist activity at ER-alpha (unknown origin) by ER-alpha coactivator assay
50019623	5	ChEMBL_2327370	Agonist activity at ER-alpha (unknown origin) by ER-alpha coactivator assay
50019624	1	ChEMBL_2327401	Inhibition of LSD1 (unknown origin)
50019624	2	ChEMBL_2327404	Inhibition of human recombinant LSD1
50019624	3	ChEMBL_2327410	Inhibition of EGFR L858R mutant (unknown origin)
50019624	4	ChEMBL_2327412	Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate incubated for 30 mins by fluorescence based microplate reader assay
50019624	5	ChEMBL_2327413	Binding affinity to LSD1 (unknown origin) assessed as inhibition constant
50019624	6	ChEMBL_2327414	Binding affinity to LSD1 (unknown origin) assessed as dissociation constant
50019624	7	ChEMBL_2327415	Inhibition of human G9a expressed in HEK293 cells
50019624	8	ChEMBL_2327417	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50019624	9	ChEMBL_2327422	Inhibition of N-terminal human recombinant LSD1
50019624	10	ChEMBL_2327423	Inhibition of HDAC6 (unknown origin)
50019624	11	ChEMBL_2327424	Inhibition of HDAC8 (unknown origin)
50019624	12	ChEMBL_2327427	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assay
50019624	13	ChEMBL_2327428	Inhibition of human recombinant HDAC2 incubated for 60 mins by fluorescence based assay
50019624	14	ChEMBL_2327429	Inhibition of human recombinant HDAC3 incubated for 60 mins by fluorescence based assay
50019624	15	ChEMBL_2327430	Inhibition of human N-terminal His-tagged LSD1 using histone H3 peptide (1 to 21 residues) K4me2 as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hrs by fluorescence analysis
50019624	16	ChEMBL_2327433	Inhibition of SMOX (unknown origin) using spermine as substrate preincubated for 1 hr followed by substrate addition and measured after 20 mins by luminometer analysis
50019625	1	ChEMBL_2327435	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured every min for 10 mins by DTNB based Ellman's assay
50019625	2	ChEMBL_2327436	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured every min for 10 mins by DTNB based Ellman's assay
50019626	1	ChEMBL_2327504	Inhibition of Ig-tagged PD-1 (unknown origin)/His-tagged PD-L1 (unknown origin) protein-protein interaction preincubated with PD-L1 for 15 mins followed by PD-1 addition measured after 15 mins by HTRF assay
50019626	2	ChEMBL_2327512	Inhibition of C-terminal 3S-IG-tagged recombinant human PD-1 (25 to 167 residues)/C-terminal 6xHis-tagged recombinant human PD-L1 (18 to 239 residues) expressed in HEK293T cells protein-protein interaction preincubated with PD-L1 for 15 mins followed by PD-1 addition measured after 15 mins by HTRF assay
50019626	3	ChEMBL_2327513	Inhibition of His-tagged PD-1 (unknown origin)/hFc-tagged PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by HTRF assay
50019626	4	ChEMBL_2327515	Inhibition of PD-1 binding to human PD-L1 by HTRF assay
50019626	5	ChEMBL_2327520	Inhibition of [89Zr]Zr-atezolizumab binding from human PD-L1 transfected in CHO cells preincubated for 30 mins followed by [89Zr]Zr-atezolizumab addition measured after 60 mins by Wizard2 gamma counter analysis
50019627	1	ChEMBL_2327539	Binding affinity to human alpha-TTP assessed as dissociation constant incubated for 25 to 40 mins by fluorescence based assay
50019629	1	ChEMBL_2327559	Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate incubated for 30 mins by spectrofluorometry analysis
50019629	2	ChEMBL_2327560	Inhibition of Plasmodium falciparum FP3 using Z-Leu-Arg-AMC as substrate incubated for 30 mins by spectrofluorometry analysis
50019630	1	ChEMBL_2327569	Inhibition of glucocorticoid receptor (unknown origin)
50019630	2	ChEMBL_2327570	Agonist activity at glucocorticoid receptor (unknown origin) expressed in K562 cells
50019630	3	ChEMBL_2327575	Inhibition of CYP1A2 (unknown origin)
50019630	4	ChEMBL_2327576	Inhibition of CYP2C9 (unknown origin)
50019630	5	ChEMBL_2327577	Inhibition of CYP2D6 (unknown origin)
50019630	6	ChEMBL_2327578	Inhibition of CYP3A4 (unknown origin)
50019631	1	ChEMBL_2327628	Binding affinity to recombinant GID4 (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019631	2	ChEMBL_2327630	Displacement of C-terminal NanoLuc-tagged MPGLWKS peptide from N-terminal HaloTag-tagged GID4 (unknown origin) expressed in HEK293T cells incubated for 4 hrs by fluorescence polarization based NanoBRET assay
50019632	1	ChEMBL_2327808	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured every min for 10 mins by Ellman's method
50019632	2	ChEMBL_2327810	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured every min for 10 mins by Ellman's method
50019632	3	ChEMBL_2327812	Inhibition of human DYRK1A using RRRFRPASPLRGPPK as substrate incubated for 40 mins in presence of Mg/[gamma-33P]-ATP by scintillation counting method
50019632	4	ChEMBL_2327813	Inhibition of recombinant GST-fused human DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 10 mins by liquid scintillation counting method
50019632	5	ChEMBL_2327815	Inhibition of human CLK1 using ERMRPRKRQGSVRRRV as substrate incubated for 40 mins in presence of Mg/[gamma-33P]-ATP by scintillation counting method
50019632	6	ChEMBL_2327822	Inhibition of CLK1 (unknown origin)
50019633	1	ChEMBL_2327823	Corrector activity at HRP-tagged CFTR F508del mutant in human CFBE41o- cells assessed as rescue trafficking by measuring increase in membrane expression incubated for 3 days followed by incubated with chemiluminescent HRP substrate measured after 15 mins by CSE-HRP assay
50019633	2	ChEMBL_2327829	Corrector activity at HRP-tagged CFTR F508del mutant in human CFBE41o- cells assessed as rescue trafficking by measuring increase in membrane expression incubated for 3 days in presence of compound 5 followed by incubated with chemiluminescent HRP substrate measured after 15 mins by CSE-HRP assay
50019633	3	ChEMBL_2327831	Corrector activity at CFTR F508del mutant in forskolin-stimulated human bronchial epithelial cells derived from primary CF assessed as increase in membrane expression in presence of GLPG2222 by measuring change in Ieq preincubated for 24 hrs followed by measured for 20 mins for every 2 mins by transepithelial clamp circuit (TECC) assay
50019633	4	ChEMBL_2327849	Corrector activity at CFTR F508del mutant in forskolin-stimulated human bronchial epithelial cells derived from primary CF assessed as GLPG1837-mediated potentiation of increase in membrane expression by measuring change in Ieq in presence of GLPG1837/GLPG2222 preincubated for 24 hrs followed by measured for 20 mins for every 2 mins by transepithelial clamp circuit (TECC) assay
50019633	5	ChEMBL_2327851	Corrector activity at CFTR F508del mutant in forskolin-stimulated human bronchial epithelial cells derived from primary CF assessed as increase in membrane expression by measuring change in Ieq preincubated for 24 hrs followed by measured for 20 mins for every 2 mins by transepithelial clamp circuit (TECC) assay
50019633	6	ChEMBL_2327858	Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis
50019633	7	ChEMBL_2327859	Inhibition of CYP2C19 in human liver microsomes using S- mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis
50019633	8	ChEMBL_2327860	Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis
50019633	9	ChEMBL_2327861	Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis
50019633	10	ChEMBL_2327862	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate in presence of NADPH by LC/MS/MS analysis
50019633	11	ChEMBL_2327863	Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC/MS/MS analysis
50019633	12	ChEMBL_2327864	Inhibition of human H1 receptor
50019633	13	ChEMBL_2327865	Inhibition of human Sigma receptor
50019634	1	ChEMBL_2327891	Antagonist activity at mu-opioid receptor in rat thalamus membrane assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding incubated for 2 hrs by liquid scintillation spectrophotometry
50019636	1	ChEMBL_2327930	Inhibition of SIK1 (unknown origin) using ALNRTSSDSALHRRR as substrate
50019636	2	ChEMBL_2327931	Inhibition of SIK2 (unknown origin) using ALNRTSSDSALHRRR as substrate
50019636	3	ChEMBL_2327932	Inhibition of SIK3 (unknown origin) using ALNRTSSDSALHRRR as substrate
50019636	4	ChEMBL_2327933	Inhibition of SIK1 (unknown origin)
50019636	5	ChEMBL_2327934	Inhibition of SIK2 (unknown origin)
50019636	6	ChEMBL_2327935	Inhibition of SIK3 (unknown origin)
50019636	7	ChEMBL_2327936	Inhibition of N-terminal GST-tagged wild type human SIK1 (1 to 783 residues) expressed in baculovirus-infected Sf21 cells using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo kinase assay
50019636	8	ChEMBL_2327937	Inhibition of full length human SIK2 using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo kinase assay
50019636	9	ChEMBL_2327938	Inhibition of full length SIK3 (unknown origin) using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo kinase assay
50019636	10	ChEMBL_2327941	Time dependent inhibition of CYP450 in human liver microsomes prewarmed for 5 mins followed by incubation with midazolam substrate for 20 mins and later incubated with NADP+ for 5 to 15 mins by LC-MS/MS analysis
50019636	11	ChEMBL_2327942	Time dependent inhibition of CYP450 in human liver microsomes prewarmed for 5 mins followed by incubation with testosterone substrate for 20 mins and later incubated with NADP+ for 5 to 15 mins by LC-MS/MS analysis
50019636	12	ChEMBL_2327947	Inhibition of human RIPK2
50019636	13	ChEMBL_2327948	Inhibition of human ABL1
50019636	14	ChEMBL_2327949	Inhibition of human MKNK2
50019636	15	ChEMBL_2327952	Inhibition of NanoLuc-fused SIK1 (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50019636	16	ChEMBL_2327953	Inhibition of NanoLuc-fused SIK2 (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50019636	17	ChEMBL_2327954	Inhibition of NanoLuc-fused SIK3 (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay
50019636	18	ChEMBL_2328023	Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADP+ addition and measured after 5 to 15 mins by LC-MS/MS analysis
50019636	19	ChEMBL_2328024	Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADP+ addition and measured after 5 to 15 mins by LC-MS/MS analysis
50019636	20	ChEMBL_2328025	Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by NADP+ addition and measured after 5 to 15 mins by LC-MS/MS analysis
50019636	21	ChEMBL_2328026	Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADP+ addition and measured after 5 to 15 mins by LC-MS/MS analysis
50019636	22	ChEMBL_2328027	Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADP+ addition and measured after 5 to 15 mins by LC-MS/MS analysis
50019636	23	ChEMBL_2328029	Inhibition of hERG transfected in HEK293 cells by manual patch clamp assay
50019637	1	ChEMBL_2328042	Inhibition of TGF-beta induced Smad2/3 signaling in human HepG2 cells harboring pRL-EF1alpha, (CAGA)9x-MLP-Luc plasmid assessed as luciferase activity incubated for 24 hrs
50019637	2	ChEMBL_2328043	Inhibition of IL-4 induced STAT6 signaling in human HepG2 cells harboring pRL-EF1alpha, pGL3-TK-7xN4 and TOPO-Stat6 plasmid assessed as luciferase activity incubated for 24 hrs
50019638	1	ChEMBL_2328137	Inhibition of human recombinant Avi-tagged PCSK9 assessed as dissociation constant by SPR analysis
50019640	1	ChEMBL_2328138	Inhibition of 26S proteasome (unknown origin)
50019640	2	ChEMBL_2328139	Inhibition of PKa (unknown origin)
50019640	3	ChEMBL_2328140	Inhibition of FXIIa (unknown origin)
50019640	4	ChEMBL_2328141	Inhibition of trypsin (unknown origin)
50019640	5	ChEMBL_2328142	Inhibition of plasmin (unknown origin)
50019640	6	ChEMBL_2328143	Inhibition of FXIa (unknown origin)
50019640	7	ChEMBL_2328144	Inhibition of human PKa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 5 mins by fluorometric assay
50019640	8	ChEMBL_2328145	Inhibition of human PKa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 60 mins by fluorometric assay
50019640	9	ChEMBL_2328146	Inhibition of human FXIIa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 5 mins by fluorometric assay
50019640	10	ChEMBL_2328147	Inhibition of human FXIIa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 60 mins by fluorometric assay
50019640	11	ChEMBL_2328148	Inhibition of human PKa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 1 mins by fluorometric assay
50019640	12	ChEMBL_2328149	Inhibition of human PKa using H-D-Pro-Phe-Arg-AFC peptide substrate measured after 10 mins by fluorometric assay
50019641	1	ChEMBL_2328150	Inhibition of human carbonic anhydrase I assessed as inhibition constant incubated for 15 min by stopped-flow CO2 hydrase assay
50019641	2	ChEMBL_2328151	Inhibition of human human carbonic anhydrase II assessed as inhibition constant incubated for 15 min by stopped-flow CO2 hydrase assay
50019641	3	ChEMBL_2328152	Inhibition of human human carbonic anhydrase IX assessed as inhibition constant incubated for 15 min by stopped-flow CO2 hydrase assay
50019641	4	ChEMBL_2328153	Inhibition of human human carbonic anhydrase XII assessed as inhibition constant incubated for 15 min by stopped-flow CO2 hydrase assay
50019642	1	ChEMBL_2328158	Activation of Nln (unknown origin) using Mca-Pro-Leu-Gly-Pro-D-Lys(DNP)- OH as substrate preincubated for 10 mins followed by substrate addition measured for 20 mins by fluorescence based assay
50019643	1	ChEMBL_2328173	Inhibition of full length human recombinant ACC1 expressed in baculovirus infected Sf9 cells incubated for 18 hrs in presence of ATP by envision fluorescence reader analysis
50019644	1	ChEMBL_2328174	Inhibition of human EPHB4 (unknown origin)
50019644	2	ChEMBL_2328175	Inhibition of SYK (unknown origin)
50019644	3	ChEMBL_2328176	Inhibition of BRD4 (unknown origin)
50019644	4	ChEMBL_2328177	Inhibition of CREBBP (unknown origin) by TR-FRET assay
50019644	5	ChEMBL_2328178	Inhibition of CK2alpha (unknown origin)
50019646	1	ChEMBL_2328179	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 60 min by HTRF assay
50019647	1	ChEMBL_2328188	Inhibition of human ERG expressed in CHO K1 cells measured after 4 min by QPatch assay
50019648	1	ChEMBL_2328216	Inhibition of human liver cathepsin B using Cbz-Arg-Arg-AMC as fluorogenic substrate measured every 20 seconds for 10 mins by fluorescence based assay
50019648	2	ChEMBL_2328218	Inhibition of m-calpain (unknown origin) using Suc-LLVY-AMC as fluorogenic substrate measured every 20 seconds for 10 mins by fluorescence based assay
50019649	1	ChEMBL_2328220	Displacement of kinase tracer 8 from NanoLuc-tagged CK1 delta (unknown origin) transfected in CHO cells by BRET assay
50019649	2	ChEMBL_2328221	Inhibition of N-terminal GST-tagged recombinant human CK1 delta expressed in Escherichia coli BL21 cells using PLSRTL-pS-VA-pS-LPGL as substrate measured after 60 mins in presence of ATP by ADP-Glo assay
50019649	3	ChEMBL_2328234	Inhibition of p38 alpha (unknown origin)
50019649	4	ChEMBL_2328235	Inhibition of p38 beta (unknown origin)
50019649	5	ChEMBL_2328245	Inhibition of TNIK (unknown origin)
50019649	6	ChEMBL_2328249	Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019649	7	ChEMBL_2328250	Inhibition of CYP2C8 in human liver microsomes incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019649	8	ChEMBL_2328251	Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019649	9	ChEMBL_2328252	Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019649	10	ChEMBL_2328253	Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by LC-MS/MS analysis
50019649	11	ChEMBL_2328254	Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysis
50019649	12	ChEMBL_2328255	Inhibition of CK1 alpha (unknown origin)
50019649	13	ChEMBL_2328256	Inhibition of CK1 epsilon (unknown origin)
50019650	1	ChEMBL_2328274	Inhibition of human RIPK1 (1-375) incubated for 30 mins by ADP Glo enzymatic assay
50019652	1	ChEMBL_2328294	Inhibition of full-length IRAK4 (unknown origin) in presence of ATP by DELFIA assay
50019652	2	ChEMBL_2328295	Inhibition of IRAK4 in human PBMC cells assessed as reduction in R848-stimulated TNF-alpha production
50019653	1	ChEMBL_2328429	Induction of NSD3 degradation in human NCI-H1703 cells incubated for 72 hrs by Western blot analysis
50019653	2	ChEMBL_2328433	Induction of NSD3 degradation in human A549 cells measured after 72 hrs by Western blot analysis
50019654	1	ChEMBL_2328649	Inhibition of recombinant human Alpha-synuclein aggregation expressed in Escherichia coli incubated for 72 hrs by ThT fluorescence assay
50019655	1	ChEMBL_2328669	Inhibition of recombinant human LSD1 (172 to 852 residues)/His-tagged human CoREST (286 to 482 residues) expressed in Escherichia coli BL21 (DE3) cells using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate assessed as increase in H3K4 methylation incubated for 40 mins
50019655	2	ChEMBL_2328677	Inhibition of LSD1 (unknown origin)
50019655	3	ChEMBL_2328679	Irreversible inhibition of LSD1 (unknown origin)
50019656	1	ChEMBL_2328904	Inhibition of c-Met (unknown origin)
50019656	2	ChEMBL_2328905	Binding affinity to c-Met (unknown origin) assessed as inhibition constant
50019656	3	ChEMBL_2328906	Inhibition of RON (unknown origin)
50019656	4	ChEMBL_2328925	Inhibition of c-MET (unknown origin) by kinome scan assay
50019656	5	ChEMBL_2328926	Inhibition of RON (unknown origin) by kinome scan assay
50019656	6	ChEMBL_2328927	Inhibition of AXL (unknown origin) by kinome scan assay
50019656	7	ChEMBL_2328928	Inhibition of ABL (unknown origin) by kinome scan assay
50019656	8	ChEMBL_2328929	Inhibition of RET (unknown origin) by kinome scan assay
50019656	9	ChEMBL_2328930	Inhibition of FLT3 (unknown origin) by kinome scan assay
50019656	10	ChEMBL_2328931	Inhibition of PDGFRbeta (unknown origin) by kinome scan assay
50019657	1	ChEMBL_2328962	Inhibition of PDE4D2 (unknown origin)
50019657	2	ChEMBL_2328964	Inhibition of recombinant PDE4D2 (86 to 413 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	3	ChEMBL_2328966	Inhibition of recombinant PDE4B2 (152 to 487 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	4	ChEMBL_2328967	Inhibition of recombinant PDE1C (147 to 531 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation method
50019657	5	ChEMBL_2328968	Inhibition of recombinant PDE2A (580 to 919 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation method
50019657	6	ChEMBL_2328969	Inhibition of recombinant PDE3A (679 to 1087 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	7	ChEMBL_2328970	Inhibition of recombinant PDE5A1 (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation method
50019657	8	ChEMBL_2328971	Inhibition of recombinant PDE7A1 (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	9	ChEMBL_2328972	Inhibition of recombinant PDE8A1 (480 to 828 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	10	ChEMBL_2328973	Inhibition of recombinant PDE9A2 (181 to 506 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation method
50019657	11	ChEMBL_2328974	Inhibition of recombinant PDE10A2 (449 to 770 residues) (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50019657	12	ChEMBL_2328982	Inhibition of human CYP2B6 in human hepatocytes
50019657	13	ChEMBL_2328985	Inhibition of human ERG
50019657	14	ChEMBL_2328986	Inhibition of human CYP1A2 in human hepatocytes
50019657	15	ChEMBL_2328987	Inhibition of human CYP2D6 in human hepatocytes
50019657	16	ChEMBL_2328988	Inhibition of human CYP2C9 in human hepatocytes
50019657	17	ChEMBL_2328989	Inhibition of human CYP3A4 in human hepatocytes
50019658	1	ChEMBL_2329026	Agonist activity at human TGR5 expressed in human HEK293 cells co-expressing CRE-driven luciferase reporter gene assessed as luciferase activity incubated for 5.5 hrs by Steady-Glo based luciferase assay
50019658	2	ChEMBL_2329027	Agonist activity at mouse TGR5 expressed in human HEK293 cells co-expressing CRE-driven luciferase reporter gene assessed as luciferase activity incubated for 5.5 hrs by Steady-Glo based luciferase assay
50019658	3	ChEMBL_2329028	Inhibition of mouse serum DPP4 assessed as cleavage of substrate by measuring AMC release using Gly-Pro-AMC as substrate by fluorescence based microplate reader assay
50019659	1	ChEMBL_2329058	Inhibition of equine BChE using butyrylthiocholine iodide incubated for 3 mins by Ellman's method
50019659	2	ChEMBL_2329059	Inhibition of pacific electric ray AChE
50019659	3	ChEMBL_2329061	Inhibition of human AChE
50019659	4	ChEMBL_2329062	Inhibition of human BChE
50019659	5	ChEMBL_2329064	Inhibition of human recombinant AChE preincubated for 5 mins followed by substrate addition measured every 2 mins by Ellmans method
50019659	6	ChEMBL_2329065	Inhibition of human recombinant BChE by Ellmans method preincubated for 5 mins followed by substrate addition measured every 2 mins
50019659	7	ChEMBL_2329066	Inhibition of amyloid beta 42 (unknown origin) self aggregation incubated for 48 hrs by fluoroMax-4 spectrofluorometeric analysis
50019659	8	ChEMBL_2329067	Inhibition of pacific electric ray AChE incubated for 15 mins
50019659	9	ChEMBL_2329069	Inhibition of human AChE using ATCh as substrate incubated for 5 mins by Ellmans method
50019659	10	ChEMBL_2329070	Inhibition of equine BChE using BTCh as substrate incubated for 5 mins by Ellmans method
50019659	11	ChEMBL_2329074	Inhibition of electric eel AChE
50019659	12	ChEMBL_2329075	Inhibition of equine BChE
50019659	13	ChEMBL_2329076	Inhibition of BACE1 (unknown origin)
50019659	14	ChEMBL_2329078	Inhibition of electric eel AChE incubated for 15 mins by Ellman's method
50019659	15	ChEMBL_2329079	Inhibition of equine BChE incubated for 15 mins by Ellman's method
50019659	16	ChEMBL_2329081	Inhibition of electric eel AChE incubated for 15 mins in pesence of acetylthiocholine iodide
50019659	17	ChEMBL_2329084	Inhibition of human AChE by Ellmans method
50019659	18	ChEMBL_2329085	Inhibition of human BChE by Ellmans method
50019659	19	ChEMBL_2329086	Inhibition of BACE1 (unknown origin) by FRET-based fluorescent analysis
50019659	20	ChEMBL_2329087	Inhibition of human erythrocyte AChE using ATC iodide as substrate preincubated for 5 mins followed by substrate addition measured Ellmans method
50019659	21	ChEMBL_2329088	Inhibition of human erythrocyte BChE using BTC iodide as substrate preincubated for 5 mins followed by substrate addition measured Ellmans method
50019659	22	ChEMBL_2329090	Inhibition of human recombinant AChE by spectrophotometer based Ellman's method
50019659	23	ChEMBL_2329091	Inhibition of human serum BChE by spectrophotometer based Ellman's method
50019659	24	ChEMBL_2329093	Inhibition of human erythrocyte AChE by Ellman assay
50019659	25	ChEMBL_2329095	Inhibition of rat cortex homogenate AChE by Ellman's method
50019659	26	ChEMBL_2329097	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50019659	27	ChEMBL_2329100	Inhibition of electric eel AChE by Ellman's method
50019659	28	ChEMBL_2329102	Inhibition of electric eel AChE using ATChI as substrate
50019659	29	ChEMBL_2329103	Inhibition of equine BChE using BTChI as substrate
50019659	30	ChEMBL_2329107	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine as substrate incubated for 120 mins by Ellman's method
50019659	31	ChEMBL_2329108	Inhibition of human recombinant BChE expressed in HEK293 cells using butyrylthiocholine as substrate incubated for 120 mins by Ellman's method
50019659	32	ChEMBL_2329112	Inhibition of electric eel AChE using acetylthiocholine iodine as substrate by Ellman's method
50019659	33	ChEMBL_2329115	Inhibition of human AChE by Ellman's method
50019659	34	ChEMBL_2329116	Inhibition of equine BChE by Ellman's method
50019659	35	ChEMBL_2329118	Inhibition of electric eel AchE using acetylthiocholine as substrate by Ellman's method
50019659	36	ChEMBL_2329119	Inhibition of equine BChE using butyrylthiocholine as substrate by Ellman's method
50019659	37	ChEMBL_2329120	Inhibition of human erythrocyte AChE using acetylcholine as substrate preincubated for 5 mins followed by substrate addition measured Ellmans method
50019659	38	ChEMBL_2329123	Inhibition of human recombinant AChE incubated for 20 mins by Ellmans method
50019659	39	ChEMBL_2329124	Inhibition of amyloid beta 40 (unknown origin) aggregation for 2 hrs by ThT fluoroscence assay
50019660	1	ChEMBL_2329125	Binding affinity at human Norepinephrine transporter assessed as inhibition constant
50019660	2	ChEMBL_2329126	Binding affinity at human MOR assessed as inhibition constant
50019660	3	ChEMBL_2329127	Binding affinity at human muscarinic M5 receptor assessed as inhibition constant
50019660	4	ChEMBL_2329128	Binding affinity at human muscarinic M4 receptor assessed as inhibition constant
50019660	5	ChEMBL_2329129	Binding affinity at human muscarinic M3 receptor assessed as inhibition constant
50019660	6	ChEMBL_2329130	Binding affinity at human muscarinic M2 receptor assessed as inhibition constant
50019660	7	ChEMBL_2329131	Binding affinity at human muscarinic M1 receptor assessed as inhibition constant
50019660	8	ChEMBL_2329132	Binding affinity at human KOR assessed as inhibition constant
50019660	9	ChEMBL_2329133	Binding affinity at human Histamine H1 receptor assessed as inhibition constant
50019660	10	ChEMBL_2329134	Binding affinity at human Histamine H3 receptor assessed as inhibition constant
50019660	11	ChEMBL_2329136	Binding affinity to human beta 2 adrenergic receptor assessed as inhibition constant
50019660	12	ChEMBL_2329137	Binding affinity to human beta 1 adrenergic receptor assessed as inhibition constant
50019660	13	ChEMBL_2329138	Binding affinity to human alpha 2C adrenergic receptor assessed as inhibition constant
50019660	14	ChEMBL_2329139	Binding affinity to human alpha 2B adrenergic receptor assessed as inhibition constant
50019660	15	ChEMBL_2329140	Binding affinity at human DOR assessed as inhibition constant
50019660	16	ChEMBL_2329141	Binding affinity to human dopamine D5 receptor assessed as inhibition constant
50019660	17	ChEMBL_2329142	Binding affinity to human alpha 1D adrenergic receptor assessed as inhibition constant
50019660	18	ChEMBL_2329143	Binding affinity to human dopamine D4 receptor assessed as inhibition constant
50019660	19	ChEMBL_2329144	Binding affinity to human alpha 2A adrenergic receptor assessed as inhibition constant
50019660	20	ChEMBL_2329145	Binding affinity to human alpha 1B adrenergic receptor assessed as inhibition constant
50019660	21	ChEMBL_2329146	Binding affinity to human dopamine D3 receptor assessed as inhibition constant
50019660	22	ChEMBL_2329147	Binding affinity to human dopamine D2 receptor assessed as inhibition constant
50019660	23	ChEMBL_2329148	Binding affinity to human alpha 1A adrenergic receptor assessed as inhibition constant
50019660	24	ChEMBL_2329149	Binding affinity to human dopamine D1 receptor assessed as inhibition constant
50019660	25	ChEMBL_2329151	Binding affinity to human 5HT6 receptor assessed as inhibition constant
50019660	26	ChEMBL_2329152	Binding affinity to human 5HT7 receptor assessed as inhibition constant
50019660	27	ChEMBL_2329153	Displacement of [3H]-ditolylguanidine from sigma 2 receptor/TMEM97 in rat PC-12 cells assessed as inhibition constant in the presence of (+)-pentazocine by competition binding assay
50019660	28	ChEMBL_2329154	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain assessed as inhibition constant by competition binding assay
50019660	29	ChEMBL_2329156	Binding affinity to human beta 3 adrenergic receptor assessed as inhibition constant
50019660	30	ChEMBL_2329157	Binding affinity to sigma 2 receptor/TMEM97 (unknown origin) assessed as inhibition constant
50019660	31	ChEMBL_2329158	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50019660	32	ChEMBL_2329159	Binding affinity to human 5HT2C receptor assessed as inhibition constant
50019660	33	ChEMBL_2329160	Binding affinity to human 5HT2B receptor assessed as inhibition constant
50019660	34	ChEMBL_2329161	Binding affinity to human 5HT2A receptor assessed as inhibition constant
50019660	35	ChEMBL_2329162	Binding affinity to human 5HT1E receptor assessed as inhibition constant
50019660	36	ChEMBL_2329164	Binding affinity to human 5HT1A receptor assessed as inhibition constant
50019660	37	ChEMBL_2329165	Binding affinity to human 5HT1D receptor assessed as inhibition constant
50019660	38	ChEMBL_2329166	Binding affinity to human 5HT1B receptor assessed as inhibition constant
50019660	39	ChEMBL_2329169	Displacement of [3H]-ditolylguanidine from human sigma 2 receptor/TMEM97 transfected in HEK293 cells assessed as inhibition constant in the presence of (+)-pentazocine by competition binding assay
50019660	40	ChEMBL_2329170	Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells assessed as inhibition constant by competition binding assay
50019660	41	ChEMBL_2329171	Binding affinity at human PBR assessed as inhibition constant
50019660	42	ChEMBL_2329172	Binding affinity at human SERT assessed as inhibition constant
50019661	1	ChEMBL_2329181	Inhibition of recombinant human Wip1 (1 to 420 residues) using human ATM phosphopeptide (AFEEG-pS-QSTTIGY) as substrate incubated for 7 mins by Bio-mol green assay
50019662	1	ChEMBL_2329183	Displacement of conivaptan-red fluorescent probe from SNAP-tagged human vasopressin V2 receptor expressed in HEK293 cells compound pre-illuminated for 10 mins with light at 365 nm and further incubated for 1 hr by HTRF assay
50019662	2	ChEMBL_2329188	Displacement of conivaptan-red fluorescent probe from SNAP-tagged human vasopressin V2 receptor expressed in HEK293 cells compound pre-illuminated for 10 mins with light at 435 nm and further incubated for 1 hr by HTRF assay
50019663	1	ChEMBL_2329351	Competive inhibition of full length human METTL3/METTL14 expressed in Sf9 cells using single strand RNA 5'-AAGAACCGGACUAAGCU-3' and SAM as substrate incubated for 40 mins by HTRF assay
50019663	2	ChEMBL_2329352	Inhibition of recombinant METTL3 (354 to 580 residues)/METTL14 (106 to 396 residues) (unknown origin) using m6A oligonucleotide as substrate by HTRF assay
50019663	3	ChEMBL_2329353	Inhibition of full-length His-tagged METTL3/full length FLAG-tagged METTL14 (unknown origin) expressed in baculovirus expression system using synthetic RNA 5'P-uacacucgaucuggacuaaagcugcuc-3' and SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by RF/MS analysis
50019663	4	ChEMBL_2329354	Inhibition of full-length His-tagged METTL3/full length FLAG-tagged METTL14 (unknown origin) expressed in baculovirus expression system using synthetic RNA 5'P-UACACUCGAUCUGGACUAAAGCUGCUC-3' and SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by RapidFire mass spectrometry
50019663	5	ChEMBL_2329355	Binding affinity to full-length His-tagged METTL3/full length FLAG-tagged METTL14 (unknown origin) expressed in baculovirus expression system assessed as dissociation constant using SAM as substrate by SPR assay
50019663	6	ChEMBL_2329364	Inhibition of METTL3/METTL14 (unknown origin)
50019663	7	ChEMBL_2329369	Inhibition of METTL3/METTL14 in human MOLM-13 cells assessed as reduction in m6A/A ratio
50019663	8	ChEMBL_2329373	Inhibition of METTL3 in human MOLM-13 cells assessed as decrease in cellular m6A mRNA level incubated for 24 hrs by NanoDrop spectrophotometer based LC-MS/MS analysis
50019663	9	ChEMBL_2329377	Inhibition of METTL3/METTL14 (unknown origin) by bioluminescence assay
50019663	10	ChEMBL_2329378	Inhibition of METTL3/METTL14 (unknown origin) by mass spectrometry-based assay
50019663	11	ChEMBL_2329379	Binding affinity to METTL3/METTL14 (unknown origin) assessed as dissociation constant by SPR analysis
50019663	12	ChEMBL_2329384	Binding affinity to METTL3 (unknown origin) assessed as dissociation constant by SPR analysis
50019663	13	ChEMBL_2329387	Inhibition of METTL3/METTL14 (unknown origin) using biotinylated RNA (UCUGGACUAAA-biotin) and 3H-SAM as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by scintillation counter analysis
50019663	14	ChEMBL_2329391	Inhibition of METTL3/METTL14 (unknown origin) using RNA 5'-GGACUGGACUGGACU-3' as substrate incubated for 2 hrs by LC-MS/MS analysis
50019664	1	ChEMBL_2329441	Binding affinity to full length MLKL (unknown origin) expressed in human HEK293 cells assessed as dissociation constant incubated for 30 mins by Competition Binding Assay
50019664	2	ChEMBL_2329444	Inhibition of GST-tagged RipK1 (1-375) residues (unknown origin) by FP-based binding assay
50019664	3	ChEMBL_2329448	Inhibition of human RIPK1 (1-375) residues by ADP-Glo assay
50019664	4	ChEMBL_2329449	Inhibition of human RIPK1 (1-375) residues by 33P-radiolabeled assay
50019664	5	ChEMBL_2329454	Inhibition of recombinant human RIPK3 (2-328) residues expressed in baculovirus by FP assay
50019664	6	ChEMBL_2329455	Inhibition of recombinant human RIPK3 (2-328) residues expressed in baculovirus by ADP-glo assay
50019664	7	ChEMBL_2329456	Binding affinity to human RIPK3 assessed as dissociation constant
50019664	8	ChEMBL_2329457	Inhibition of recombinant human RIPK3 using MBP as substrate preincubated for 15 mins followed by substrate addition and measured after 2 hrs by ADP-Glo Kinase Assay
50019664	9	ChEMBL_2329463	Inhibition of hERG at 10 uM
50019664	10	ChEMBL_2329472	Binding affinity to human wild type partial length RIPK3 (M1/Q307) expressed in bacterial expression system assessed as dissociation constant by biochemical assay
50019664	11	ChEMBL_2329473	Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assay
50019664	12	ChEMBL_2329474	Binding affinity to human wild type partial length RIPK1 (M1/Q307) expressed in bacterial expression system assessed as dissociation constant by biochemical assay
50019664	13	ChEMBL_2329475	Binding affinity to RIPK1 (unknown origin) by ADP-GlO assay
50019664	14	ChEMBL_2329476	Inhibition of RIPK3 (unknown origin) expressed in NIH3T3 cells assessed as inhibition of dimerizer-induced pMLKL level by Western blot analysis
50019664	15	ChEMBL_2329480	Binding affinity to recombinant mouse MLKL pseudokinase domain (179 to 464 residues) expressed in Sf21 insect cells assessed as dissociation constant by Surface plasmon resonance assay
50019664	16	ChEMBL_2329483	Binding affinity to full length human MLKL assessed as dissociation constant
50019664	17	ChEMBL_2329484	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant
50019664	18	ChEMBL_2329485	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant
50019664	19	ChEMBL_2329486	Binding affinity to full length MLKL expressed in human HEK293 cells assessed as dissociation constant incubated for 1 hr by ATP-Competition Binding Assay
50019664	20	ChEMBL_2329487	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant by ATP-Competition Binding Assay
50019664	21	ChEMBL_2329488	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant by ATP-Competition Binding Assay
50019665	1	ChEMBL_2329544	Binding affinity to VHL (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay
50019665	2	ChEMBL_2329545	Inhibition of UHRF1 (unknown origin) by FRET assay
50019665	3	ChEMBL_2329546	Inhibition of UHRF1 (unknown origin) by AlphaScreen assay
50019665	4	ChEMBL_2329549	Inhibition of cIAP1 (unknown origin)
50019665	5	ChEMBL_2329550	Inhibition of XIAP (unknown origin)
50019665	6	ChEMBL_2329551	Binding affinity to CRBN (unknown origin) assessed as inhibition constant by FRET assay
50019665	7	ChEMBL_2329552	Binding affinity to HOIP (unknown origin) assessed as dissociation constant
50019665	8	ChEMBL_2329553	Inhibition of human recombinant RNF4 incubated for 30 mins by SDS-PAGE based densitometry
50019665	9	ChEMBL_2329554	Binding affinity to VHL (unknown origin) assessed as dissociation constant by isothermal calorimetric assay
50019666	1	ChEMBL_2329556	Antagonist activity at CMV-tagged full length wild type human AR expressed in HEK293 cells co-transfected with GRE-LUC and CMV-renilla LUC assessed as inhibition of R1881-induced receptor transactivation measured after 24 hrs by luciferase reporter gene assay
50019666	2	ChEMBL_2329557	Displacement of [3H]mibolerone from GST-tagged wild type AR ligand binding domain (unknown origin) incubated for 16 hrs by scintillation counting analysis
50019666	3	ChEMBL_2329563	Antagonist activity at AR F876L mutant (unknown origin) expressed in COS cells co-transfected with GRE-LUC and CMV-renilla LUC assessed as inhibition of R1881-induced receptor transactivation measured after 24 hrs by luciferase reporter gene assay
50019667	1	ChEMBL_2329642	Inhibition of STAT3 (unknown origin) transfected in human HepG2 cells assessed as inhibition of IL-6 induced STAT3 phosphorylation by luciferase reporter gene assay
50019668	1	ChEMBL_2329781	Inhibition of human recombinant FXIa assessed as S-2366 hydrolysis
50019668	2	ChEMBL_2329782	Inhibition of human Factor XIa assessed as substrate hydrolysis measured after 10 mins by chromogenic substrate hydrolysis assay
50019668	3	ChEMBL_2329784	Inhibition of human factor Xa
50019668	4	ChEMBL_2329785	Inhibition of human factor XIa
50019668	5	ChEMBL_2329786	Inhibition of thrombin in human plasma measured after 10 mins by chromogenic substrate hydrolysis assay
50019669	1	ChEMBL_2329788	Inhibition of ERK5 (unknown origin)
50019669	2	ChEMBL_2329790	Binding affinity to ERK5 (unknown origin)
50019669	3	ChEMBL_2329793	Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5 autophosphorylation
50019669	4	ChEMBL_2329794	Binding affinity to BRD4 (unknown origin)
50019670	1	ChEMBL_2329796	Inhibition of LSD1 (unknown origin)
50019670	2	ChEMBL_2329797	Inhibition of recombinant LSD1 (unknown origin) incubated for 1 hr by fluorescence based analysis
50019670	3	ChEMBL_2329798	Binding affinity to LSD1 (unknown origin) assessed as inhibition constant
50019670	4	ChEMBL_2329799	Binding affinity to MAO-A (unknown origin) assessed as inhibition constant
50019670	5	ChEMBL_2329800	Binding affinity to MAO-B (unknown origin) assessed as inhibition constant
50019671	1	ChEMBL_2329803	Activation of PKM2 (unknown origin) incubated for 30 mins
50019671	2	ChEMBL_2329806	Binding affinity to PKM2 (unknown origin) by SPR assay
50019673	1	ChEMBL_2329894	Inhibition of human EZH2 using SAM as substrate incubated for 1 hr by microplate luminescence based HMT assay
50019673	2	ChEMBL_2329895	Inhibition of human recombinant EHMT2 G9a using SAM as substrate incubated for 1 hr by microplate luminescence based HMT assay
50019676	1	ChEMBL_2329955	Inhibition of recombinant human CA XII (30 to 291 residues) expressed in escherichia coli BL21 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019676	2	ChEMBL_2329956	Inhibition of recombinant human CA1 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019676	3	ChEMBL_2329957	Inhibition of recombinant human CA1I assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019676	4	ChEMBL_2329958	Inhibition of recombinant human CA1X assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019677	1	ChEMBL_2329963	Inhibition of N-terminal Trx/6His/HRV3C-tagged human BCL6 BTB domain (5 to 129 residues) expressed in Escherichia coli BL21-AI using RSEIISTAPSSWVVPGP-Cys-AlexaFluor 633-amide as substrate measured after 2 hrs by TR-FRET assay
50019678	1	ChEMBL_2330028	Inhibition of C-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21-CodonPlus competent cells using DL-glyceraldehyde as substrate
50019678	2	ChEMBL_2330029	Inhibition of C-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21-CodonPlus competent cells using methyl glyoxylate as substrate incubated for 2 mins in presence of NADPH
50019678	3	ChEMBL_2330030	Inhibition of C-terminal 6His-tagged human recombinant SCoR2 AKR1A1 expressed in Escherichia coli BL21-CodonPlus competent cells using DL-glyceraldehyde as substrate
50019678	4	ChEMBL_2330031	Inhibition of C-terminal 6His-tagged human recombinant SCoR2 AKR1A1 expressed in Escherichia coli BL21-CodonPlus competent cells using SNO-CoA as substrate incubated for 2 mins in presence of NADPH
50019679	1	ChEMBL_2330087	Inhibition of FXIa (unknown origin)
50019679	2	ChEMBL_2330088	Inhibition of PKal (unknown origin)
50019679	3	ChEMBL_2330097	Inhibition of human FXIa by absorbance based analysis
50019679	4	ChEMBL_2330112	Binding affinity to FXIa (unknown origin) assessed as inhibition constant
50019679	5	ChEMBL_2330116	Binding affinity to PKal (unknown origin) assessed as inhibition constant
50019679	6	ChEMBL_2330122	Inhibition of FD (unknown origin)
50019679	7	ChEMBL_2330128	Inhibition of human FXIa
50019679	8	ChEMBL_2330129	Inhibition of human tryptase
50019679	9	ChEMBL_2330130	Inhibition of human thrombin
50019679	10	ChEMBL_2330131	Inhibition of human trypsin
50019679	11	ChEMBL_2330134	Inhibition of human Neutrophil elastase
50019679	12	ChEMBL_2330136	Inhibition of human cathepsin G
50019679	13	ChEMBL_2330138	Inhibition of human plasmin
50019679	14	ChEMBL_2330139	Inhibition of human FXa
50019679	15	ChEMBL_2330140	Inhibition of human FVIIa
50019679	16	ChEMBL_2330141	Inhibition of human FXIIa
50019679	17	ChEMBL_2330142	Inhibition of human chymotrypsin
50019680	1	ChEMBL_2330298	Binding affinity to FKBP51 (unknown origin)
50019680	2	ChEMBL_2330299	Binding affinity to FKBP52 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50019680	3	ChEMBL_2330300	Binding affinity to FKBP51 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50019680	4	ChEMBL_2330301	Inhibition of FKBP51 (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50019680	5	ChEMBL_2330302	Inhibition of FKBP52 (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50019683	1	ChEMBL_2330311	Binding affinity to 15N-labeled recombinant BRD3-ET domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as dissociation constant by saturation transfer difference HSQC NMR analysis
50019683	2	ChEMBL_2330312	Binding affinity to biotinylated BRD3-ET domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as dissociation constant at 4 degreeC by SPR analysis
50019683	3	ChEMBL_2330314	Binding affinity to recombinant BRD3-ET domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as dissociation constant by 19F- NMR analysis
50019683	4	ChEMBL_2330315	Binding affinity to recombinant BRD3-ET domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as dissociation constant by 1H- NMR analysis
50019684	1	ChEMBL_2330357	Activation of TGR5 (unknown origin) transfected in human NCI-H716 cells assessed as increase in cAMP production incubated for 24 hrs by HTR-FRET assay
50019684	2	ChEMBL_2330358	Agonist activity at FXR-LBD (unknown origin) using fluorescein-coactivator peptide incubated for 3 hrs by TR-FRET assay
50019684	4	ChEMBL_2330363	Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP1 (unknown origin) incubated for 3 mins by fluorescence based assay
50019684	5	ChEMBL_2330369	Inhibition of Gal-DBD and NHRLBD fused LXRalpha (unknown origin) transfected in African green monkey CV-1 cells by luciferase assay
50019684	6	ChEMBL_2330370	Inhibition of Gal-DBD and NHRLBD fused LXRbeta (unknown origin) transfected in African green monkey CV-1 cells by luciferase assay
50019684	7	ChEMBL_2330371	Activation of pGAL4 fused THRbeta LBD (unknown origin) transfected in HEK293 cells cotransfected with pG5-Luc and pRL-TK incubated for 24 hrs by Renilla/Firefly based dual-glo luciferase assay
50019684	8	ChEMBL_2330372	Agonist activity at pBIND-PPARalpha (unknown origin) transfected in HepG2 cells incubated for 18 hrs by renilla/firefly based dual-glo luciferase assay
50019684	9	ChEMBL_2330374	Agonist activity at PPARgamma (unknown origin) transfected in HEK293 cells incubated for 18 hrs by renilla/firefly based dual-glo luciferase assay
50019684	10	ChEMBL_2330376	Activation of Gal-DBD and NHRLBD fused RARgamma (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	11	ChEMBL_2330377	Activation of Gal-DBD and NHRLBD fused RARalpha (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	12	ChEMBL_2330378	Activation of VP16-fused VDR-LBD (unknown origin) incubated for 18 hrs in presence of substrate by luciferase assay
50019684	13	ChEMBL_2330379	Activation of Gal-DBD and NHRLBD fused ERalpha (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	14	ChEMBL_2330380	Activation of Gal-DBD and NHRLBD fused ERbeta (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	15	ChEMBL_2330381	Activation of Gal-DBD and NHRLBD fused PR (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	16	ChEMBL_2330382	Activation of Gal-DBD and NHRLBD fused AR (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	17	ChEMBL_2330383	Activation of Gal-DBD and NHRLBD fused MR (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	18	ChEMBL_2330384	Activation of Gal-DBD and NHRLBD fused GR (unknown origin) transfected in African green monkey CV-1 cells by luciferase reporter assay
50019684	19	ChEMBL_2330385	Agonist activity at human FFA1 stably expressed in CHO cells assessed as intracellular calcium flux by FLIPR assay
50019684	20	ChEMBL_2330386	Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP3 (unknown origin) incubated for 3 mins by fluorescence based assay
50019684	21	ChEMBL_2330387	Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP4 (unknown origin) incubated for 3 mins by fluorescence based assay
50019684	22	ChEMBL_2330388	Inhibition of pBIND-PPARalpha (unknown origin) transfected in HepG2 cells incubated for 18 hrs in presence of GW0742 by dual luciferase reporter assay
50019684	23	ChEMBL_2330390	Inhibition of PPARgamma (unknown origin) transfected in HEK293 cells incubated for 18 hrs in presence of rosiglitazone by dual luciferase reporter assay
50019685	1	ChEMBL_2330462	Inhibition of JNK1 (unknown origin) using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50019685	2	ChEMBL_2330463	Inhibition of JNK2 (unknown origin) using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50019685	3	ChEMBL_2330464	Inhibition of JNK3 (unknown origin) using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50019686	1	ChEMBL_2330530	Binding affinity to human His-tagged MafG assessed as dissociation constant incubated for 10 mins by SPR analysis
50019687	1	ChEMBL_2330580	Negative allosteric modulator activity at P-gp in human LCC6MDR cells overexpressing P-gp assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay
50019687	2	ChEMBL_2330581	Negative allosteric modulator activity at P-gp in human LCC6MDR cells overexpressing P-gp assessed as reversal of P-gp mediated paclitaxel resistance activity incubated for 5 days by MTS assay
50019687	3	ChEMBL_2330596	Negative allosteric modulator activity at human P-gp G1114A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 5.6 +/- 1.1 nM)
50019687	4	ChEMBL_2330597	Negative allosteric modulator activity at human wildtype P-gp expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 540.5 +/- 20.3 nM)
50019687	5	ChEMBL_2330598	Negative allosteric modulator activity at human P-gp I1115A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 7.5 +/- 2.4 nM)
50019687	6	ChEMBL_2330599	Negative allosteric modulator activity at human P-gp H1195A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 3.4 +/- 1.5 nM)
50019687	7	ChEMBL_2330600	Negative allosteric modulator activity at human P-gp T1226A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 6.3 +/- 2.1 nM)
50019687	8	ChEMBL_2330601	Negative allosteric modulator activity at human P-gp Q1193A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 483.4 +/- 17.2 nM)
50019687	9	ChEMBL_2330602	Negative allosteric modulator activity at human P-gp L1113A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 590 +/- 14.2 nM)
50019687	10	ChEMBL_2330603	Negative allosteric modulator activity at human P-gp C1227A mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 352.1 +/- 30.6 nM)
50019687	11	ChEMBL_2330604	Negative allosteric modulator activity at human P-gp Q1193F mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 453.6 +/- 14.8 nM)
50019687	12	ChEMBL_2330605	Negative allosteric modulator activity at human P-gp Q1193E mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 395.8 +/- 13.4 nM)
50019687	13	ChEMBL_2330606	Negative allosteric modulator activity at human P-gp Q1193K mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 466.2 +/- 72.3 nM)
50019687	14	ChEMBL_2330607	Negative allosteric modulator activity at human P-gp Q1193C mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 359.4 +/- 22.3 nM)
50019687	15	ChEMBL_2330608	Negative allosteric modulator activity at human P-gp Q1193T mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 523.6 +/- 33.7 nM)
50019687	16	ChEMBL_2330609	Negative allosteric modulator activity at human P-gp Q1193N mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 560.2 +/- 43.9 nM)
50019687	17	ChEMBL_2330610	Negative allosteric modulator activity at human P-gp G1114V mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 3.4 +/- 0.5 nM)
50019687	18	ChEMBL_2330611	Negative allosteric modulator activity at human P-gp G1114I mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 10.2 +/- 2.4 nM)
50019687	19	ChEMBL_2330612	Negative allosteric modulator activity at human P-gp G1114L mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 4.5 +/- 1.1 nM)
50019687	20	ChEMBL_2330613	Negative allosteric modulator activity at human P-gp I1115W mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 7.8 +/- 0.9 nM)
50019687	21	ChEMBL_2330614	Negative allosteric modulator activity at human P-gp I1115Y mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 6.9 +/- 1.2 nM)
50019687	22	ChEMBL_2330615	Negative allosteric modulator activity at human P-gp I1115K mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 6.2 +/- 2 nM)
50019687	23	ChEMBL_2330616	Negative allosteric modulator activity at human P-gp I1115E mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 7.4 +/- 0.8 nM)
50019687	24	ChEMBL_2330617	Negative allosteric modulator activity at human P-gp I1115N mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 10.2 +/- 1.6 nM)
50019687	25	ChEMBL_2330618	Negative allosteric modulator activity at human P-gp I1115M mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 9.8 +/- 0.9 nM)
50019687	26	ChEMBL_2330619	Negative allosteric modulator activity at human P-gp I1115F mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 663.1 +/- 10.2 nM)
50019687	27	ChEMBL_2330620	Negative allosteric modulator activity at human P-gp I1115L mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 472 +/- 15.4 nM)
50019687	28	ChEMBL_2330621	Negative allosteric modulator activity at human P-gp T1226W mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 363.5 +/- 24.9 nM)
50019687	29	ChEMBL_2330622	Negative allosteric modulator activity at human P-gp T1226Y mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 449.3 +/- 31.2 nM)
50019687	30	ChEMBL_2330623	Negative allosteric modulator activity at human P-gp T1226F mutant expressed in HEK293FT cells assessed as reversal of P-gp mediated PTX resistance by measuring paclitaxel IC50 incubated for 5 days by MTS assay (Rvb = 409.9 +/- 19.7 nM)
50019688	1	ChEMBL_2330723	Pseudo-irreversible inhibition of human BChE using butyrylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method based UV analysis
50019688	2	ChEMBL_2330724	Pseudo-irreversible inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition by Ellman's method based UV analysis
50019688	3	ChEMBL_2330725	Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membrane incubated for 3 hrs by scintillation counter analysis
50019688	4	ChEMBL_2330727	Displacement of [3H]CP55940 from rat brain membrane CB1 receptor incubated for 3 hrs by scintillation counter analysis
50019688	5	ChEMBL_2330730	Displacement of [3H]CP55940 from human CB2 receptor stably expressed in HEK293 cells by Cheng-Prusoff equation analysis
50019688	6	ChEMBL_2330735	Agonist activity at human CB2 receptor stably expressed in CHO-K1 cells co-expressing Galphaq16 by Fluo-4AM dye based calcium mobilization assay
50019688	7	ChEMBL_2330737	Agonist activity at human CB2 receptor stably expressed in HEK293 cells assessed as induction of beta-arrestin 2 recruitment incubated for 2 hrs by luminescence based assay
50019688	8	ChEMBL_2330762	Inhibition of human BChE using acetylthiocholine iodide as substrate incubated for 20 to 60 mins followed by substrate addition by spectrophotometric Ellman method
50019688	9	ChEMBL_2330763	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 to 60 mins followed by substrate addition by spectrophotometric Ellman method
50019689	1	ChEMBL_2330792	Binding affinity to human MyD88 TIR domain assessed as equilibrium dissociation constant by SPR analysis
50019690	1	ChEMBL_2330867	Inhibition of HIV1 Reverse transcriptase incubated for 30 mins by fluorescence based analysis
50019690	2	ChEMBL_2330884	Inhibition of CYP2C9 in human liver microsomes using diclofenac and sulfaphenazole as substrate preincubated for 5 mins followed by NADPH addition and measured for 20 mins
50019690	3	ChEMBL_2330885	Inhibition of hERG by fluorescence polarization assay
50019691	1	ChEMBL_2330931	Displacement of [I125] NDP-alpha-MSH from human MC1R stably overexpressing in HEK293 cells in presence of [I125] labeled NDP-alpha-MSH treated for 40 mins measured by microbeta 2 microplate counter analysis
50019691	2	ChEMBL_2330934	Displacement of [I125] NDP-alpha-MSH from human MC3R stably overexpressing in HEK293 cells in presence of [I125] labeled NDP-alpha-MSH treated for 40 mins measured by microbeta 2 microplate counter analysis
50019691	3	ChEMBL_2330935	Agonist activity at human MC1R stably overexpressing in HEK293 cells assessed as intracellular acumulation of cAMP level incubated for 30 mins measured by microbeta 2 microplate counter analysis
50019691	4	ChEMBL_2330939	Agonist activity at human MC3R stably overexpressing in HEK293 cells assessed as intracellular acumulation of cAMP level incubated for 30 mins measured by microbeta 2 microplate counter analysis
50019691	5	ChEMBL_2330941	Displacement of [I125] NDP-alpha-MSH from human MC4R stably overexpressing in HEK293 cells in presence of [I125] labeled NDP-alpha-MSH treated for 40 mins measured by microbeta 2 microplate counter analysis
50019691	6	ChEMBL_2330944	Agonist activity at human MC4R stably overexpressing in HEK293 cells assessed as intracellular acumulation of cAMP level incubated for 30 mins measured by microbeta 2 microplate counter analysis
50019691	7	ChEMBL_2330946	Displacement of [I125] NDP-alpha-MSH from human MC5R stably overexpressing in HEK293 cells in presence of [I125] labeled NDP-alpha-MSH treated for 40 mins measured by microbeta 2 microplate counter analysis
50019691	8	ChEMBL_2330949	Agonist activity at human MC5R stably overexpressing in HEK293 cells assessed as intracellular acumulation of cAMP level incubated for 30 mins measured by microbeta 2 microplate counter analysis
50019692	1	ChEMBL_2330951	Inhibition of N-terminal/C-termianl Flag-tagged POLQ (unknown origin) (2 to 2590 residues) expressed in baculovirus incubated for 30 mins by fluorescence based analysis
50019692	2	ChEMBL_2330952	Inhibition of POLQ PD (unknown origin) (1819 to 2590 residues) by fluorescence based analysis
50019692	3	ChEMBL_2330953	Inhibition of POLQ PD (unknown origin) (1819 to 2590 residues) incubated for 15 mins by fluorescence based analysis
50019692	4	ChEMBL_2330954	Inhibition of POLQ PD (unknown origin) (1819 to 2590 residues) incubated for 15 mins by luminescence based analysis
50019692	5	ChEMBL_2330955	Inhibition of POLQ (unknown origin)
50019694	1	ChEMBL_2330970	Binding affinity to ACK1 (unknown origin) assessed as dissociation constant
50019694	2	ChEMBL_2330971	Inhibition of ACK1 (unknown origin)
50019694	3	ChEMBL_2330972	Inhibition of N-terminal His6-tagged ACK1 (117 to 389 residues) (unknown origin) expressed in Sf9 cells using ATP as substrate incubated for 1 hrs by ELISA
50019694	4	ChEMBL_2330979	Inhibition of SRC (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	5	ChEMBL_2330980	Inhibition of PDGFRbeta (unknown origin) by DiscoverX KINOMEscan assay
50019694	6	ChEMBL_2330981	Inhibition of CSF1R (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	7	ChEMBL_2330982	Inhibition of ABL (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	8	ChEMBL_2330983	Inhibition of DDR1 (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	9	ChEMBL_2330984	Inhibition of DDR2 (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	10	ChEMBL_2330985	Inhibition of ZAK (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	11	ChEMBL_2330986	Inhibition of RET (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	12	ChEMBL_2330987	Inhibition of KIT (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50019694	13	ChEMBL_2330988	Binding affinity to EPHA3 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	14	ChEMBL_2330989	Binding affinity to EPHA8 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	15	ChEMBL_2330990	Binding affinity to EPHB6 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	16	ChEMBL_2330991	Binding affinity to ERBB4 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	17	ChEMBL_2330992	Binding affinity to FAK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	18	ChEMBL_2330993	Binding affinity to FGFR4 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	19	ChEMBL_2330994	Binding affinity to FRK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	20	ChEMBL_2330995	Binding affinity to GAK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	21	ChEMBL_2330996	Binding affinity to HCK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	22	ChEMBL_2330997	Binding affinity to JNK1 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	23	ChEMBL_2330998	Binding affinity to JNK2 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	24	ChEMBL_2330999	Binding affinity to JNK3 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	25	ChEMBL_2331000	Binding affinity to LCK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	26	ChEMBL_2331001	Binding affinity to MEK5 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	27	ChEMBL_2331002	Binding affinity to p38-alpha (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	28	ChEMBL_2331003	Binding affinity to p38-beta (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	29	ChEMBL_2331004	Binding affinity to PAK3 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	30	ChEMBL_2331005	Binding affinity to PYK2 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	31	ChEMBL_2331006	Binding affinity to SIK (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	32	ChEMBL_2331007	Binding affinity to SRMS (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	33	ChEMBL_2331008	Binding affinity to TIE1 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	34	ChEMBL_2331009	Binding affinity to TNK1 (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	35	ChEMBL_2331010	Binding affinity to TNNI3K (unknown origin) assessed as dissociation constant by KINOME scan assay
50019694	36	ChEMBL_2331011	Binding affinity to YES (unknown origin) assessed as dissociation constant by KINOME scan assay
50019695	1	ChEMBL_2331029	Inhibition of human recombinant PNP expressed in Escherichia coli incubated for 10 mins
50019695	2	ChEMBL_2331030	Inhibition of Mycobacterium tuberculosis recombinant PNP incubated for 10 mins
50019695	3	ChEMBL_2331060	Inhibition of recombinant Plasmodium falciparum PNP incubated for 10 mins
50019696	1	ChEMBL_2331102	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) preincubated for 10 mins followed by ATP and substrate addition and measured after 60 mins by plate reader analysis
50019696	2	ChEMBL_2331103	Inhibition of wild type EGFR (unknown origin)
50019696	3	ChEMBL_2331104	Inhibition of EGFR L858R mutant (unknown origin)
50019696	4	ChEMBL_2331105	Inhibition of EGFR Del19 mutant (unknown origin)
50019696	5	ChEMBL_2331106	Inhibition of EGFR LTb mutant (unknown origin)
50019696	6	ChEMBL_2331107	Inhibition of EGFR dTCb mutant (unknown origin)
50019696	7	ChEMBL_2331108	Inhibition of EGFR LTCb mutant (unknown origin)
50019697	1	ChEMBL_2331166	Inhibition of pig brain tubulin polymerization in the presence of GTP by spectrophotometric analysis
50019698	1	ChEMBL_2331250	Binding affinity to mu-opioid receptor (unknown origin) assessed as inhibition constant
50019698	2	ChEMBL_2331251	Binding affinity to GluN1/GluN2A receptor (unknown origin) assessed as inhibition constant
50019698	3	ChEMBL_2331254	Binding affinity to GABAa alpha1 (unknown origin) assessed as inhibition constant
50019698	4	ChEMBL_2331255	Binding affinity to GABAa alpha2 (unknown origin) assessed as inhibition constant
50019698	5	ChEMBL_2331256	Binding affinity to GABAa alpha3 (unknown origin) assessed as inhibition constant
50019698	6	ChEMBL_2331258	Binding affinity to kappa opioid receptor (unknown origin) assessed as inhibition constant
50019698	7	ChEMBL_2331259	Binding affinity to kappa opioid receptor (unknown origin)
50019698	8	ChEMBL_2331268	Binding affinity to delta opioid receptor (unknown origin) assessed as inhibition constant
50019698	9	ChEMBL_2331287	Binding affinity to alpha2A receptor (unknown origin)
50019698	10	ChEMBL_2331288	Binding affinity to alpha2C receptor (unknown origin)
50019698	11	ChEMBL_2331289	Binding affinity to alpha2B receptor (unknown origin)
50019698	12	ChEMBL_2331290	Binding affinity to nACh alpha4beta2 receptor (unknown origin) assessed as inhibition constant
50019698	13	ChEMBL_2331291	Binding affinity to rat nACh alpha7 receptor assessed as inhibition constant
50019698	14	ChEMBL_2331292	Binding affinity to human nACh alpha7 receptor assessed as inhibition constant
50019698	15	ChEMBL_2331294	Binding affinity to nACh alpha7 receptor (unknown origin) assessed as inhibition constant
50019698	16	ChEMBL_2331297	Binding affinity to nACh alpha6beta2 receptor (unknown origin) assessed as inhibition constant
50019699	1	ChEMBL_2331409	Inhibition of human ABCG2 expressed in dog MDCK-II cells mediated mitoxantrone efflux incubated for preincubated for 15 mins followed by mitoxantrone addition measured after 60 mins by flow cytometric analysis
50019703	1	ChEMBL_2331502	Inhibition of KAT3B HAT domain (1287 to 1652 residues) (unknown origin) expressed in Escherichia coli BL21(RIL)-DE3 using histone H4-15 peptide and 14C-acetyl-coA as substrates preincubated for 10 mins followed by substrate addition and measured after 10 mins by radioactive assay
50019703	2	ChEMBL_2331503	Inhibition of recombinant human KAT3B HAT domain (1287 to 1673 residues) expressed in Escherichia coli using histone H3 peptide and [Acetyl-3H]-acetyl-coA as substrates incubated for 1 hrs by scintillation counter analysis
50019703	3	ChEMBL_2331504	Inhibition of human recombinant KDAC2
50019703	4	ChEMBL_2331505	Inhibition of human recombinant KDAC3
50019703	5	ChEMBL_2331506	Inhibition of human recombinant KDAC6
50019703	6	ChEMBL_2331508	Inhibition of N-terminal 6His tagged KAT8 (173 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated histone H4 peptide and [3H]Acetyl-CoA as substrates preincubated for 20 mins followed by substrate addition and measured after 4 hrs by MicroBeta microplate counter analysis
50019703	7	ChEMBL_2331510	Inhibition of recombinant human KAT3B (1287 to 1673 residues) using histone H3 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	8	ChEMBL_2331512	Inhibition of recombinant human KAT2B (492 to 658 residues) using histone H3 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	9	ChEMBL_2331515	Inhibition of recombinant human KAT2A (323 to 837 residues) using histone H3 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	10	ChEMBL_2331517	Inhibition of recombinant human full length KAT5 using histone H2A peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	11	ChEMBL_2331519	Inhibition of recombinant human KAT6A (488 to 778 residues) using histone H3 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	12	ChEMBL_2331521	Inhibition of recombinant human KAT6B (657 to 1069 residues) using histone H4 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	13	ChEMBL_2331523	Inhibition of recombinant human full length KAT7 using histone H3 peptide and [3H]-acetyl-coA as substrates incubated for 1 hrs by liquid scintillation counter analysis
50019703	14	ChEMBL_2331529	Binding affinity to N-terminal 6His tagged KAT8 (173 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by SPR analysis
50019704	1	ChEMBL_2331584	Inhibition of human recombinant MMP-13 using Mca-Lys-Pro-Leu-GlyLeu-Dpa-Ala-Arg-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence based analysis
50019704	2	ChEMBL_2331585	Inhibition of human recombinant MMP-1 incubated for 30 mins by fluorescence based analysis
50019704	3	ChEMBL_2331586	Inhibition of human recombinant MMP-2 incubated for 30 mins by fluorescence based analysis
50019704	4	ChEMBL_2331587	Inhibition of human recombinant MMP-8 incubated for 30 mins by fluorescence based analysis
50019704	5	ChEMBL_2331588	Inhibition of human recombinant MMP-9 incubated for 30 mins by fluorescence based analysis
50019704	6	ChEMBL_2331589	Inhibition of human recombinant MMP-10 using Mca-Aug-Pro-Lys-Pro-Val-Glu-Nval-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 30 mins followed by substrate addition by fluorescence based analysis
50019705	1	ChEMBL_2331636	Binding affinity to ERalpha (unknown origin) assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50019705	2	ChEMBL_2331637	Binding affinity to ERbeta (unknown origin) assessed as inhibition constant incubated for 2 hrs by fluorescence polarization assay
50019705	3	ChEMBL_2331639	Binding affinity to ERalpha (unknown origin) assessed as dissociation constant
50019705	4	ChEMBL_2331640	Binding affinity to ERbeta (unknown origin) assessed as dissociation constant
50019706	1	ChEMBL_2331704	Binding affinity to PSMA (unknown origin) assessed as inhibition constant
50019706	2	ChEMBL_2331705	Binding affinity to human recombinant PSMA (unknown origin) assessed as inhibition constant incubated for 60 mins in presence of NAAG
50019708	1	ChEMBL_2331718	Agonist activity at TLR2 (unknown origin) by HTS assay
50019708	2	ChEMBL_2331719	Agonist activity at TLR8 (unknown origin)
50019708	3	ChEMBL_2331720	Agonist activity at TLR7 (unknown origin)
50019708	4	ChEMBL_2331721	Agonist activity at TLR1/TLR2 in human THP-1 cells
50019708	5	ChEMBL_2331722	Antagonist activity at TLR3 (unknown origin)
50019708	6	ChEMBL_2331723	Agonist activity at human TLR3
50019708	7	ChEMBL_2331724	Agonist activity at human TLR8
50019708	8	ChEMBL_2331725	Agonist activity at human TLR9
50019708	9	ChEMBL_2331726	Binding affinity to TLR3 (unknown origin) assessed as inhibition constant
50019708	10	ChEMBL_2331727	Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibition of NO production
50019708	11	ChEMBL_2331728	Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibition of TNF-alpha production
50019708	12	ChEMBL_2331729	Antagonist activity at TLR4 in mouse peritoneal macrophages assessed as inhibition of IL-6 production
50019708	13	ChEMBL_2331730	Inhibition of TLR4 in human HEK293T cells co-expressing MD-2 receptor
50019708	14	ChEMBL_2331731	Antagonist activity at TLR5 (unknown origin)
50019708	15	ChEMBL_2331732	Binding affinity to human TLR8 expressed in HEK-Blue hTLR8 cells
50019708	16	ChEMBL_2331733	Antagonist activity at human TLR8
50019708	17	ChEMBL_2331734	Antagonist activity at TLR1/TLR2 (unknown origin)
50019708	18	ChEMBL_2331735	Binding affinity to TLR1/TLR2 (unknown origin) assessed as inhibition constant
50019708	19	ChEMBL_2331736	Antagonist activity at human TLR1/TLR2
50019708	20	ChEMBL_2331737	Antagonist activity at human TLR2/TLR6
50019708	21	ChEMBL_2331738	Antagonist activity at TLR1/TLR2 in HEK-Blue hTLR2 cells
50019708	22	ChEMBL_2331739	Antagonist activity at TLR2/TLR6 in human THP-1 cells
50019708	23	ChEMBL_2331741	Agonist activity at human TLR7
50019711	1	ChEMBL_2331744	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50019711	2	ChEMBL_2331745	Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50019711	3	ChEMBL_2331747	Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50019711	4	ChEMBL_2331748	Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50019711	5	ChEMBL_2331813	Inhibition of JAK1 (unknown origin)
50019711	6	ChEMBL_2331814	Inhibition of JAK2 (unknown origin)
50019711	7	ChEMBL_2331815	Inhibition of JAK3 (unknown origin)
50019711	8	ChEMBL_2331816	Inhibition of TYK2 (unknown origin)
50019711	9	ChEMBL_2331820	Inhibition of recombinant epitope tagged JAK1 (unknown origin) (837 to 1142 residues) using peptide substrate in presence of ATP by time-resolved fluorescence assay
50019711	10	ChEMBL_2331821	Inhibition of recombinant epitope tagged JAK2 (unknown origin) (828 to 1132 residues) using peptide substrate in presence of ATP by time-resolved fluorescence assay
50019711	11	ChEMBL_2331822	Inhibition of recombinant epitope tagged JAK3 (unknown origin) (718 to 1124 residues) using peptide substrate in presence of ATP by time-resolved fluorescence assay
50019711	12	ChEMBL_2331823	Inhibition of recombinant epitope tagged TYK2 (unknown origin) (873 to 1187 residues) using peptide substrate in presence of ATP by time-resolved fluorescence assay
50019711	13	ChEMBL_2331827	Inhibition of N-terminal GST tagged catalytic domain human JAK1 (850 to 1154 end residues) expressed in Sf21 insect cells using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr followed by substrate addition in presence of ATP by ELISA method
50019711	14	ChEMBL_2331828	Inhibition of N-terminal His-tagged catalytic domain human JAK2 (826 to 1132 end residues) expressed in Sf21 insect cells using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr followed by substrate addition in presence of ATP by ELISA method
50019711	15	ChEMBL_2331829	Inhibition of N-terminal His-tagged catalytic domain human JAK3 (795 to 1124 residues) expressed in Sf21 insect cells using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hr followed by substrate addition in presence of ATP by ELISA method
50019711	16	ChEMBL_2331830	Inhibition of N-terminal GST tagged catalytic domain human TYK2 (871 to 1187 end residues) expressed in Sf21 insect cells using Biotin-IRS1-Substrate as substrate incubated for 1 hr followed by substrate addition in presence of ATP by ELISA method
50019712	1	ChEMBL_2331838	Inverse agonist activity at GST-tagged RORgammaT LBD (unknown origin) expressed in insect cells assessed as inhibition of biotinyl-NH-Ahx NSHQKVTLLQLLLGHKNEEN-CONH coactivator peptide recruitment at pH 7.4 at 293K by TR-FRET assay
50019712	2	ChEMBL_2331850	Binding affinity to yeast GAL4 DNA-binding domain fused human RORgammaT measured after 24 hrs by cellular luciferase based assay
50019712	3	ChEMBL_2331863	Inverse agonist activity at RORgammaT in human PBMC cells assessed as inhibition of Th17 polarization incubated for 48 hrs
50019713	1	ChEMBL_2331864	Inhibition of recombinant HDAC1 (unknown origin) using [Lys(Ac)9]-Histone H3(1-21)-GGK (Biotin) incubated for 30 mins by dual fluorescence assay
50019713	2	ChEMBL_2331875	Inhibition of human recombinant HDAC1
50019713	3	ChEMBL_2331876	Inhibition of human recombinant HDAC2
50019713	4	ChEMBL_2331877	Inhibition of human recombinant HDAC3
50019713	5	ChEMBL_2331878	Inhibition of human recombinant HDAC4
50019713	6	ChEMBL_2331879	Inhibition of human recombinant HDAC5
50019713	7	ChEMBL_2331880	Inhibition of human recombinant HDAC6
50019713	8	ChEMBL_2331881	Inhibition of human recombinant HDAC7
50019713	9	ChEMBL_2331882	Inhibition of human recombinant HDAC8
50019713	10	ChEMBL_2331883	Inhibition of human recombinant HDAC9
50019713	11	ChEMBL_2331884	Inhibition of human recombinant HDAC10
50019713	12	ChEMBL_2331885	Inhibition of human recombinant HDAC11
50019713	13	ChEMBL_2331954	Inhibition of human ERG
50019714	1	ChEMBL_2331983	Binding affinity to QSOX1 in human MDA-MB-231 cells
50019715	1	ChEMBL_2331992	Binding affinity to autoinhibited CSF1R (538 to 939) (unknown origin) expressed in Escherichia coli BL21 strain assessed as dissociation constant incubated for 1 hr under shaking condition by qPCR method
50019715	2	ChEMBL_2331993	Binding affinity to non-autoinhibited CSF1R (564 to 939) (unknown origin) expressed in Escherichia coli BL21 strain assessed as dissociation constant incubated for 1 hr under shaking condition by qPCR method
50019715	3	ChEMBL_2331994	Inhibition of CSF1R (530 to 910 residues) (unknown origin)
50019715	4	ChEMBL_2331995	Inhibition of EGFR (unknown origin)
50019715	5	ChEMBL_2331998	Inhibition of CSF1R (unknown origin) in presence of ATP by Z-LYTE based FRET assay
50019715	6	ChEMBL_2331999	Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate incubated for 1 hr in presence of 25 uM of ATP by LANCE Ultra TR-FRET assay
50019715	7	ChEMBL_2332000	Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate incubated for 1 hr in presence of 2500 uM of ATP by LANCE Ultra TR-FRET assay
50019715	8	ChEMBL_2332001	Inhibition of EGFR (unknown origin) in presence of ATP by Z-LYTE based FRET assay
50019716	1	ChEMBL_2332016	Binding affinity to recombinant TNF-alpha (unknown origin) assessed as dissociation constant incubated for 10 mins by MST assay
50019716	2	ChEMBL_2332018	Binding affinity to TNF-alpha (unknown origin) assessed as dissociation constant by SPR analysis
50019716	3	ChEMBL_2332021	Inhibition of TNF-alpha (unknown origin) binding to TNFR1 assessed as dissociation constant of TNF-alpha preincubated for 15 mins by MST assay (Rvb = 13.4 nM)
50019716	4	ChEMBL_2332022	Inhibition of TNF-alpha (unknown origin) binding to TNFR2 assessed as dissociation constant of TNF-alpha preincubated for 15 mins by MST assay (Rvb = 30.5 nM)
50019717	1	ChEMBL_2332154	Agonist activity at rat recombinant TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation by Fluo4-AM based assay
50019717	2	ChEMBL_2332156	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM based assay
50019717	3	ChEMBL_2332157	Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as desensitization by measuring inhibition of capsaicin-induced intracellular calcium accumulation preincubated for 5 mins followed by capsaicin stimulation by Fluo4-AM based assay
50019717	4	ChEMBL_2332160	Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation by Fluo4-AM based assay
50019717	5	ChEMBL_2332162	Antagonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as desensitization by measuring inhibition of allyl isothiocyanate induced intracellular calcium accumulation preincubated for 5 mins followed by allyl isothiocyanate stimulation by Fluo4-AM based assay
50019717	6	ChEMBL_2332165	Antagonist activity at rat recombinant TRPV4 expressed in HEK293 cells assessed as desensitization by measuring inhibition of GSK1016790A induced intracellular calcium accumulation preincubated for 5 mins by Fluo4-AM based assay
50019717	7	ChEMBL_2332166	Antagonist activity at rat recombinant TRPM8 expressed in HEK293 cells assessed as desensitization by measuring inhibition of icilin induced intracellular calcium accumulation preincubated for 5 mins by Fluo4-AM based assay
50019718	1	ChEMBL_2332194	Binding affinity to full length BTK (unknown origin) assessed as dissociation constant measured at 37 degree C by TR-FRET assay
50019718	2	ChEMBL_2332195	Inhibition of BTK in HEK293 cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50019718	3	ChEMBL_2332196	Inhibition of CRBN in HEK293 cells using NanoGlo substrate incubated for 2 hrs by NanoBRET assay
50019720	1	ChEMBL_2332248	Inhibition of N-terminal FLAG-tagged recombinant full-length human EZH2 Y641F mutant in PRC2 complex expressed in baculovirus infected Sf9 cells using H3K27me0 biotin/SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by HTRF assay
50019720	2	ChEMBL_2332264	Inhibition of PRMT1 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	3	ChEMBL_2332265	Inhibition of PRMT4 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	4	ChEMBL_2332266	Inhibition of PRMT5 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	5	ChEMBL_2332267	Inhibition of NSD1 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	6	ChEMBL_2332268	Inhibition of NSD2 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	7	ChEMBL_2332269	Inhibition of MLL1 (unknown origin) using histone peptide/SAM as substrate by HTRF assay
50019720	8	ChEMBL_2332270	Inhibition of MLL4 (unknown origin) using histone peptide/SAM as substrate by HTRF assay
50019720	9	ChEMBL_2332271	Inhibition of G9a (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	10	ChEMBL_2332272	Inhibition of GLP (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019720	11	ChEMBL_2332273	Inhibition of DNMT1 (unknown origin) using histone peptide/SAM as substrate by AlphaLisa assay
50019722	1	ChEMBL_2332302	Inhibition of CK1delta (unknown origin)
50019722	2	ChEMBL_2332303	Inhibition of CK1epsilon (unknown origin)
50019722	3	ChEMBL_2332304	Inhibition of CK1delta (unknown origin) using Light-TopoIla(Thr1342) peptide as substrate incubated for 10 mins in presence of ATP by TR-FRET assay
50019723	1	ChEMBL_2332410	Inhibition of Skp2 in human PC-3 cells treated with shRNA 5'-GGACCTATCGAACTCAGTTAT-3' incubated upto 48 hrs by Western blot analysis (Rvb = 4.8 +/- 0.5 microM)
50019723	2	ChEMBL_2332413	Inhibition of Skp2 in human MGC-803 cells treated with shRNA 5'-GGACCTATCGAACTCAGTTAT-3' incubated upto 48 hrs by Western blot analysis (Rvb = 7 +/- 1.1 microM)
50019724	1	ChEMBL_2332779	Inhibition of recombinant ZAK (unknown origin) using ATP as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by fluorescence based envision multilabel reader method
50019724	2	ChEMBL_2332780	Inhibition of B-RAF V600E mutant (unknown origin) incubated for 1 hr in presence of ATP by envision multilabel reader analysis
50019724	3	ChEMBL_2332782	Inhibition of partial length human ZAK by KINOMEscan assay
50019724	4	ChEMBL_2332784	Inhibition of full length human LIMK1 by KINOMEscan assay
50019724	5	ChEMBL_2332786	Inhibition of full length human LIMK2 by KINOMEscan assay
50019724	6	ChEMBL_2332788	Inhibition of partial length human LCK by KINOMEscan assay
50019725	1	ChEMBL_2332797	Inhibition of SHP2 (unknown origin)
50019726	1	ChEMBL_2332806	Inhibition of human ATM kinase using p53 as substrate by FRET assay
50019726	2	ChEMBL_2332816	Inhibition of ATM kinase in human A549 cells in presence of etoposide by ICW assay
50019727	1	ChEMBL_2332832	Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
50019727	2	ChEMBL_2332854	Inhibition of recombinant human C-terminal IG-tagged PD1 (25 to 167 residues) to human C-terminal His-tagged PD-L1 (18 to 239 residues) protein-protein interaction expressed in HEK-293T cells incubated for 15 mins by HTRF assay
50019727	3	ChEMBL_2332855	Inhibition of PD-1/His-tagged PD-L1 (unknown origin) protein-protein interaction incubated for 90 mins by AlphaLISA
50019727	4	ChEMBL_2332862	Inhibition of human PD-1/PD-L1 interaction overexpressed in human HEK293T cells by flow cytometry analysis
50019728	1	ChEMBL_2332909	Inhibition of CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells in presence of [gamma-33p]-ATP and ATP
50019728	2	ChEMBL_2332910	Inhibition of CDK2 (unknown origin) expressed in baculovirus infected Sf9 cells in presence of [gamma-33p]-ATP and ATP
50019728	3	ChEMBL_2332911	Inhibition of GSK3beta (unknown origin)
50019728	4	ChEMBL_2332912	Inhibition of CDK5 (unknown origin)
50019728	5	ChEMBL_2332913	Inhibition of CDK1 (unknown origin)
50019728	6	ChEMBL_2332914	Inhibition of CDK2 (unknown origin)
50019728	7	ChEMBL_2332915	Inhibition of CDK9 (unknown origin)
50019728	8	ChEMBL_2332916	Inhibition of CDK7 (unknown origin)
50019728	9	ChEMBL_2332917	Inhibition of CDK4 (unknown origin)
50019728	10	ChEMBL_2332918	Inhibition of CDK6 (unknown origin)
50019728	11	ChEMBL_2332920	Inhibition of CDK5/p25 (unknown origin)
50019728	12	ChEMBL_2332921	Inhibition of CDK2/cyclin A (unknown origin)
50019728	13	ChEMBL_2332923	Binding affinity to CDK5 (unknown origin) assessed as change in gibbs free energy
50019728	14	ChEMBL_2332925	Binding affinity to GSK-3beta (unknown origin) assessed as change in gibbs free energy
50019729	1	ChEMBL_2332929	Inhibition of MAPK p38-alpha (unknown origin)
50019729	2	ChEMBL_2332930	Inhibition of MK2 (unknown origin)
50019729	3	ChEMBL_2332931	Displacement of FL-KRREILSRRP[ps]ERYR-NH2 from human recombinant N-terminal His6-tagged GSK-3-beta (14 to 306 residues) H355L mutant expressed in baculovirus-infected Sf21 cells incubated for 20 hrs by fluorescence based analysis
50019729	4	ChEMBL_2332932	Displacement of FL-KRREILSRRP[ps]ERYR-NH2 from human recombinant full length GST-tagged GSK-3-alpha expressed in insect cells incubated for 20 hrs by fluorescence based analysis
50019729	5	ChEMBL_2332934	Inhibition of GSK-3 in human U2OS cells transfected with beta-catenin GFP and 4R1N tau plasmid assessed as inhibition of Tau phosphorylation at Ser396 residues by high-content imaging assay
50019729	6	ChEMBL_2332938	Inhibition of AAK1 (unknown origin)
50019729	7	ChEMBL_2332939	Inhibition of Aurora kinase B (unknown origin)
50019729	8	ChEMBL_2332940	Inhibition of BTK (unknown origin)
50019729	9	ChEMBL_2332941	Inhibition of CK2A1 (unknown origin)
50019729	10	ChEMBL_2332942	Inhibition of CK2A2 (unknown origin)
50019729	11	ChEMBL_2332943	Inhibition of c-Kit (unknown origin)
50019729	12	ChEMBL_2332944	Inhibition of IGF1R (unknown origin)
50019729	13	ChEMBL_2332945	Inhibition of IRAK1 (unknown origin)
50019729	14	ChEMBL_2332946	Inhibition of IRAK4 (unknown origin)
50019729	15	ChEMBL_2332947	Inhibition of JAK1 (unknown origin)
50019729	16	ChEMBL_2332948	Inhibition of JAK2 (unknown origin)
50019729	17	ChEMBL_2332949	Inhibition of LCK (unknown origin)
50019729	18	ChEMBL_2332950	Inhibition of PDGFR-beta (unknown origin)
50019729	19	ChEMBL_2332951	Inhibition of PKC theta (unknown origin)
50019729	20	ChEMBL_2332952	Inhibition of RSK1 (unknown origin)
50019729	21	ChEMBL_2332953	Inhibition of SYK (unknown origin)
50019729	22	ChEMBL_2332954	Inhibition of TYK2 (unknown origin)
50019729	23	ChEMBL_2332955	Inhibition of CDK2 (unknown origin)
50019729	24	ChEMBL_2332956	Inhibition of CDK5 (unknown origin)
50019729	25	ChEMBL_2332957	Inhibition of PIM1 (unknown origin)
50019729	26	ChEMBL_2332982	Inhibition of CK1A1 (unknown origin)
50019729	27	ChEMBL_2332983	Inhibition of mouse Aurora kinase A
50019730	1	ChEMBL_2332984	Agonist activity at human PPARalpha transfected in african green monkey COS7 cells assessed transactivation incubated for 16 hrs by luciferase assay
50019730	2	ChEMBL_2332986	Agonist activity at human PPARdelta transfected in african green monkey COS7 cells assessed transactivation incubated for 16 hrs by luciferase assay
50019730	3	ChEMBL_2332988	Agonist activity at human PPARgamma transfected in african green monkey COS7 cells assessed transactivation incubated for 16 hrs by luciferase assay
50019731	1	ChEMBL_2333160	Agonist activity at human Nurr1 transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40/pFA-CMV-hNurr1-LBD assessed as luciferase activity incubated for 16 hrs by Gal4 hybrid reporter gene based dual-glo luciferase assay
50019731	2	ChEMBL_2333165	Agonist activity at full length human Nurr1 transfected in HEK293T cells co-transfected with pFR-Luc-NRBE assessed as luciferase activity incubated for 16 hrs by dual-glo luciferase assay
50019731	3	ChEMBL_2333167	Binding affinity to recombinant N-terminal His6-tagged human Nurr1 LBD (362 to 598 residues) expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by ITC method
50019732	1	ChEMBL_2333229	Inhibition of HMG CoA reductase (unknown origin) measured for 10 mins in presence of NADPH by microplate reader analysis
50019733	1	ChEMBL_2333241	Displacement of AVPI-biotin from human XIAP BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS cells preincubated for 6 hrs followed by AVPI-biotin addition for 2 hrs by DELFIA
50019733	2	ChEMBL_2333242	Displacement of AVPI-biotin from cIAP1 BIR3 domain (unknown origin) preincubated for 6 hrs followed by AVPI-biotin addition for 2 hrs by DELFIA
50019733	3	ChEMBL_2333243	Displacement of AVPI-biotin from cIAP2 BIR3 domain (unknown origin) preincubated for 6 hrs followed by AVPI-biotin addition for 2 hrs by DELFIA
50019733	4	ChEMBL_2333244	Displacement of AVPI-biotin from human XIAP BIR3 domain (253 to 347 residues) expressed in Escherichia coli BL21-Gold(DE3) pLysS cells incubated for 2 hrs by DELFIA
50019733	5	ChEMBL_2333245	Displacement of AVPI-biotin from cIAP1 BIR3 domain (unknown origin) incubated for 2 hrs by DELFIA
50019733	6	ChEMBL_2333246	Displacement of AVPI-biotin from cIAP2 BIR3 domain (unknown origin) incubated for 2 hrs by DELFIA
50019734	1	ChEMBL_2333292	Binding affinity to recombinant alpha-synuclein preformed fibrils (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant incubated for 10 min by spectrophotometry based fluorescence polarization analysis
50019735	1	ChEMBL_2333315	Inhibition of GST-fused G9a (amino acids 685 to 1000) (unknown origin) expressed in Escherichia coli BL21 by DELFIA assay
50019735	2	ChEMBL_2333316	Inhibition of GST-fused GLP (amino acids 610 to 917) (unknown origin) expressed in Escherichia coli BL21 by DELFIA assay
50019735	3	ChEMBL_2333317	Inhibition of GLP (unknown origin) incorporation of tritium-labeled methyl group to biotinylated peptide substrates by Scintillation proximity assay
50019735	4	ChEMBL_2333318	Inhibition of G9a (unknown origin)
50019735	5	ChEMBL_2333319	Inhibition of GLP (unknown origin)
50019735	6	ChEMBL_2333320	Inhibition of G9a (unknown origin) incorporation of tritium-labeled methyl group to biotinylated peptide substrates by Scintillation proximity assay
50019735	7	ChEMBL_2333321	Inhibition of human recombinant G9a using H3-SAM as substrate
50019735	8	ChEMBL_2333322	Inhibition of G9a (unknown origin) by AlphaLISA assay
50019735	9	ChEMBL_2333328	Inhibition of GLP (unknown origin) by AlphaLISA assay
50019735	10	ChEMBL_2333329	Inhibition of PRMT1 (unknown origin)
50019735	11	ChEMBL_2333330	Inhibition of PRMT4 (unknown origin)
50019735	12	ChEMBL_2333331	Inhibition of PRMT5 (unknown origin)
50019735	13	ChEMBL_2333332	Inhibition of EZH2 (unknown origin)
50019735	14	ChEMBL_2333333	Inhibition of MLL1 (unknown origin)
50019735	15	ChEMBL_2333334	Inhibition of MLL4 (unknown origin)
50019735	16	ChEMBL_2333335	Inhibition of DNMT1 (unknown origin)
50019736	1	ChEMBL_2333414	Induction of CBP degradation in human RS4-11 cells incubated for 4 hrs by Western blot assay
50019736	2	ChEMBL_2333416	Induction of p300 degradation in human RS4-11 cells incubated for 4 hrs by Western blot assay
50019737	1	ChEMBL_2333454	Inhibition of PLK4 (unknown origin) incubated for 1 hr in presence of kinase tracer 236 by FRET assay
50019737	2	ChEMBL_2333523	Inhibition of PLK4 (unknown origin)
50019738	1	ChEMBL_2333524	Inhibition of RPE65 in bovine microsomes assessed as reduction on 11-cis-retinol production incubated for 1 hr by HPLC analysis
50019739	1	ChEMBL_2333579	Binding affinity to His-tagged full length human CCN2 CT domain assessed as dissociation constant by isothermal titration calorimetry assay
50019740	1	ChEMBL_2333606	Inhibition of recombinant human carbonic anhydrase I assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019740	2	ChEMBL_2333607	Inhibition of recombinant human carbonic anhydrase II assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019740	3	ChEMBL_2333608	Inhibition of recombinant human carbonic anhydrase IV assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019740	4	ChEMBL_2333609	Inhibition of recombinant human carbonic anhydrase VII assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019740	5	ChEMBL_2333610	Inhibition of recombinant human carbonic anhydrase IX assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50019741	1	ChEMBL_2333615	Inhibition of PI3K delta (unknown origin)
50019741	2	ChEMBL_2333616	Inhibition of human S1P1 expressed in human HeLa cells incubated for 20 mins by FLIPR assay
50019742	1	ChEMBL_2333622	Inhibition of hERG
50019743	1	ChEMBL_2333660	Binding affinity to recombinant BRD2 BD1 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019743	2	ChEMBL_2333661	Binding affinity to recombinant BRD2 BD2 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019743	3	ChEMBL_2333662	Binding affinity to recombinant BRD3 BD1 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019743	4	ChEMBL_2333663	Binding affinity to recombinant BRD3 BD2 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019743	5	ChEMBL_2333664	Binding affinity to recombinant BRD4 BD1 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019743	6	ChEMBL_2333665	Binding affinity to recombinant BRD4 BD2 (unknown origin) assessed as dissociation constant measured for 1200 sec by bio-layer interferometry streptavidin sensor based assay
50019745	1	ChEMBL_2333753	Inhibition of N-terminal 6His/SUMO-tagged SARS-CoV-2 NSP14 expressed in Escherichia coli Rosetta 2 (DE3) PlysS cells using 5'GpppACCCCCCCCC-Biotin 3' and 3H-SAM as substrates incubated for 30 mins by TopCount scintillation proximity assay
50019745	2	ChEMBL_2333774	Inhibition of human G9a using biotin-tagged Histone H3 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	3	ChEMBL_2333775	Inhibition of human GLP using biotin-tagged Histone H3 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	4	ChEMBL_2333776	Inhibition of human SUV39H1 using Biotin-tagged histone H3 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	5	ChEMBL_2333777	Inhibition of human DOT1L using chicken nucleosome and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	6	ChEMBL_2333778	Inhibition of human SMYD3 using biotin-tagged MAP3K2 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	7	ChEMBL_2333779	Inhibition of human BCDIN3D using biotin-tagged microRNA-145 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	8	ChEMBL_2333780	Inhibition of human PRMT3 using biotin-tagged Histone H4 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	9	ChEMBL_2333781	Inhibition of human PRMT9 using biotin-tagged SAP145 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	10	ChEMBL_2333782	Inhibition of human PRMT1 using biotin-tagged Histone H4 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019745	11	ChEMBL_2333783	Inhibition of human MLL1 using biotin-tagged Histone H3 and 3H-SAM as substrate incubated for 1 hrs by TopCount scintillation proximity assay
50019746	1	ChEMBL_2333823	Inhibition of SMURF1 (unknown origin) assessed as self-ubiquitination by TR-FRET/biochemical assay
50019746	3	ChEMBL_2333827	Inhibition of SMURF2 (unknown origin) assessed as self-ubiquitination by TR-FRET/biochemical assay
50019747	1	ChEMBL_2333854	Inhibition of COL1A1 (unknown origin) expressed in human LX2 cells
50019748	1	ChEMBL_2333938	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB reagent based Ellman's method
50019748	2	ChEMBL_2333939	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB reagent based Ellman's method
50019748	3	ChEMBL_2333941	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB reagent based Ellman's method
50019748	4	ChEMBL_2333942	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB reagent based Ellman's method
50019749	1	ChEMBL_2334217	Inhibition of N-terminal GST-tagged full length human HDAC1 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	2	ChEMBL_2334218	Inhibition of N-terminal GST-tagged full length human HDAC6 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	3	ChEMBL_2334219	Inhibition of N-terminal GST-tagged full length human HDAC3 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	4	ChEMBL_2334220	Inhibition of N-terminal GST-tagged full length human HDAC2 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	5	ChEMBL_2334221	Inhibition of N-terminal GST-tagged full length human HDAC4 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	6	ChEMBL_2334222	Inhibition of N-terminal GST-tagged full length human HDAC5 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	7	ChEMBL_2334223	Inhibition of N-terminal GST-tagged full length human HDAC7 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	8	ChEMBL_2334224	Inhibition of N-terminal GST-tagged full length human HDAC8 expressed in baculovirus system using FTS as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	9	ChEMBL_2334225	Inhibition of human recombinant HDAC1 using ZMAL (Z-(Ac)Lys-AMC) as fluorogenic substrate preincubated for 5 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50019749	10	ChEMBL_2334226	Inhibition of human full length recombinant HDAC2 expressed in baculovirus infected Sf9 cells using RHKKAc as substrate preincubated for 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50019749	11	ChEMBL_2334227	Inhibition of recombinant full length human HDAC3 expressed in insect Sf9 cells
50019749	12	ChEMBL_2334228	Inhibition of human recombinant HDAC4 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50019749	13	ChEMBL_2334229	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assay
50019749	14	ChEMBL_2334230	Inhibition of HDAC1 (unknown origin)
50019749	15	ChEMBL_2334231	Inhibition of HDAC2 (unknown origin)
50019749	16	ChEMBL_2334232	Inhibition of HDAC3 (unknown origin)
50019749	17	ChEMBL_2334233	Inhibition of HDAC11 (unknown origin)
50019749	18	ChEMBL_2334234	Inhibition of HDAC8 (unknown origin)
50019749	19	ChEMBL_2334235	Inhibition of HDAC10 (unknown origin)
50019750	1	ChEMBL_2334308	Inhibition of TRKA (unknown origin) using Kinase substrate 22 pre-incubated with compound for 10 mins followed by substrate and ATP addition measured after 30 mins by mobility shift assay based caliper reader analysis
50019750	2	ChEMBL_2334309	Inhibition of TRKB (unknown origin) using Kinase substrate 22 pre-incubated with compound for 10 mins followed by substrate and ATP addition measured after 30 mins by mobility shift assay based caliper reader analysis
50019750	3	ChEMBL_2334310	Inhibition of TRKC (unknown origin) using Kinase substrate 22 pre-incubated with compound for 10 mins followed by substrate and ATP addition measured after 30 mins by mobility shift assay based caliper reader analysis
50019750	4	ChEMBL_2334326	Inhibition of human 6-His tagged TRKA expressed in Sf9 insect cells incubated for 2 hrs in presence of ATP by LanthaScreen based FRET assay
50019752	1	ChEMBL_2334377	Induction of GPX4 degradation in human HT-1080 cells measured for 6 hrs by Western blot analysis
50019752	2	ChEMBL_2334378	Induction of GPX4 degradation in human Calu-1 cells measured for 24 hrs by Western blot analysis
50019752	3	ChEMBL_2334386	Induction of GPX4 degradation in human NCI-H1650 cells incubated for 24 hrs by Western blot analysis
50019752	4	ChEMBL_2334390	Induction of GPX4 degradation in human Gefitinib-resistant H1650 cells incubated for 24 hrs by Western blot analysis
50019753	1	ChEMBL_2334467	Binding affinity to CB2 receptor (unknown origin)
50019754	1	ChEMBL_2334580	Binding affinity to recombinant PPAR gamma LBD (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by fluorescence titration assay
50019754	2	ChEMBL_2334581	Binding affinity to recombinant PPAR alpha LBD (unknown origin) expressed in Escherichia coli BL21 assessed as dissociation constant by fluorescence titration assay
50019757	1	ChEMBL_2334698	Inhibition of Haemophilus influenzae DapE at 80 degreeC incubated for 15 mins by ninhydrin based assay
50019757	2	ChEMBL_2334699	Inhibition of Haemophilus influenzae DapE at 100 degreeC incubated for 10 mins by ninhydrin based assay
50019757	3	ChEMBL_2334703	Binding affinity to Haemophilus influenzae DapE assessed as dissociation constant
50019758	1	ChEMBL_2334713	Inhibition of Protein tyrosine phosphatase 1B (unknown origin) activity by spectrophotocolorimetric analysis
50019758	2	ChEMBL_2334715	Inhibition of porcine pancreatic lipase measured after 40 mins by spectrophotocolorimetric enzymatic assay
50019759	1	ChEMBL_2334805	Binding affinity to wild type Nur77 ligand binding domain (unknown origin) assessed as decrease in fluorescence intensity incubated for 30 secs by fluorescence spectrophotometric analysis
50019759	2	ChEMBL_2334867	Binding affinity to His-tagged Nur77 ligand binding domain (unknown origin) by surface plasmon resonance assay
50019760	1	ChEMBL_2334870	Inhibition of B3GNT2 (unknown origin) using N-acetyl-lactosamine and UDP-GlcNAc as substrate incubated for 1.5 to 2 hrs by UDP-Glo based analysis
50019760	2	ChEMBL_2334871	Inhibition of B3GNT4 (unknown origin) using Beta-lactose and UDP-GlcNAc as substrate incubated for 1.5 to 2 hrs by UDP-Glo based analysis
50019761	1	ChEMBL_2334893	Binding affinity to human BRD4 BD 1 assessed as dissociation constant by ITC analysis
50019762	1	ChEMBL_2334919	Binding affinity to HIV-1 NL4.3 monomeric capsid protein assessed as dissociation constant by SPR analysis
50019762	2	ChEMBL_2334922	Binding affinity to HIV-1 NL4.3 hexameric capsid protein assessed as dissociation constant by SPR analysis
50019762	3	ChEMBL_2334929	Competitive binding affinity to HIV-1 NL4.3 hexameric capsid protein assessed as inhibition of CPSF6 binding to capsid protein by SPR analysis
50019763	1	ChEMBL_2335027	Binding affinity to rat TSPO receptor assessed as inhibition constant
50019763	2	ChEMBL_2335028	Binding affinity to human TSPO assessed as inhibition constant
50019763	3	ChEMBL_2335030	Binding affinity to human serum albumin by fluorescence polarization assay
50019763	4	ChEMBL_2335031	Binding affinity to TSPO receptor (unknown origin) assessed as inhibition constant
50019763	5	ChEMBL_2335033	Binding affinity to human mitochondrial TSPO
50019763	6	ChEMBL_2335034	Binding affinity to monkey albumin
50019764	1	ChEMBL_2335040	Inhibition of HDAC8 (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 15 mins by fluorescence based method
50019764	2	ChEMBL_2335041	Inhibition of HDAC8 C102S/C153S double mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	3	ChEMBL_2335042	Inhibition of HDAC8 C102S/C153S/C28S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	4	ChEMBL_2335043	Inhibition of HDAC8 C102S/C153S/C125S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	5	ChEMBL_2335044	Inhibition of HDAC8 C102S/C153S/C131S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	6	ChEMBL_2335045	Inhibition of HDAC8 C102S/C153S/C244S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	7	ChEMBL_2335046	Inhibition of HDAC8 C102S/C153S/C275S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	8	ChEMBL_2335047	Inhibition of HDAC8 C102S/C153S/C287S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	9	ChEMBL_2335048	Inhibition of HDAC8 C102S/C153S/C314S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	10	ChEMBL_2335049	Inhibition of HDAC8 C102S/C153S/C352S triple mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	11	ChEMBL_2335052	Inhibition of HDAC8 C153S mutant (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hrs by fluorescence based method
50019764	12	ChEMBL_2335053	Inhibition of HDAC4 (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by fluorescence based method
50019764	13	ChEMBL_2335054	Inhibition of HDAC8 (unknown origin) assessed as inhibition constant using Boc-Lys(TFA)-AMC as substrate by fluorescence based method
50019764	14	ChEMBL_2335066	Inhibition of HDAC8 (unknown origin) using Boc-Lys(TFA)-AMC as substrate and 100 nM HDAC8 preincubated for 1 hr followed by substrate addition and measured after 15 mins by fluorescence based method
50019765	1	ChEMBL_2335134	Binding affinity to GLUT1 (unknown origin) assessed as dissociation constant at 800 uM by MST assay
50019765	2	ChEMBL_2335138	Inhibition of GLUT1 in human MCF7 cells assessed as ATP production incubated for 24 hrs in presence of 0.1 mM glucose
50019765	3	ChEMBL_2335139	Inhibition of GLUT1 in human MCF7 cells assessed as ATP production incubated for 24 hrs in presence of 10 mM glucose
50019766	1	ChEMBL_2335203	Inhibition of SIK1 (unknown origin) using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo assay
50019766	2	ChEMBL_2335204	Inhibition of SIK2 (unknown origin) using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo assay
50019766	3	ChEMBL_2335205	Inhibition of human SIK3 isoform 1 (59 to 1321 residues) expressed in Sf9 insect cells using AMARA peptide as substrate incubated for 120 mins in presence of ATP by ADP-Glo assay
50019766	4	ChEMBL_2335206	Inhibition of Abl1 (unknown origin) using poly (Glu,Tyr) as substrate incubated for 45 to 60 mins in presence of ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	5	ChEMBL_2335207	Inhibition of ALK5 (unknown origin) using casein as substrate incubated for 45 to 60 mins in presence of ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	6	ChEMBL_2335208	Inhibition of AMPK alpha1/beta2/gamma1 (unknown origin) using SAMStide as substrate incubated for 45 to 60 mins in presence of 5'AMP and ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	7	ChEMBL_2335209	Inhibition of FMS (unknown origin) using poly (Glu,Tyr) as substrate incubated for 45 to 60 mins in presence of ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	8	ChEMBL_2335210	Inhibition of human LynA using poly (Glu,Tyr) as substrate incubated for 45 to 60 mins in presence of ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	9	ChEMBL_2335211	Inhibition of TGFbetaR2 (unknown origin) autophosphorylation incubated for 45 to 60 mins in presence of ATP by [33P]-gammaATP based Topcount scintillation counting analysis
50019766	10	ChEMBL_2335233	Inhibition of RIPK2 (unknown origin)
50019766	11	ChEMBL_2335234	Inhibition of DDR1 (unknown origin)
50019766	12	ChEMBL_2335235	Inhibition of LIMK1 (unknown origin)
50019766	13	ChEMBL_2335236	Inhibition of MAP3K20 (unknown origin)
50019766	14	ChEMBL_2335237	Inhibition of LYN (unknown origin)
50019766	15	ChEMBL_2335238	Inhibition of ABL1 (unknown origin)
50019766	16	ChEMBL_2335239	Inhibition of LCK (unknown origin)
50019766	17	ChEMBL_2335240	Inhibition of FYN (unknown origin)
50019766	18	ChEMBL_2335241	Inhibition of ABL2 (unknown origin)
50019766	19	ChEMBL_2335242	Inhibition of YES1 (unknown origin)
50019766	20	ChEMBL_2335243	Inhibition of FMS (unknown origin)
50019766	21	ChEMBL_2335244	Inhibition of BLK (unknown origin)
50019766	22	ChEMBL_2335245	Inhibition of ACVR2A (unknown origin)
50019766	23	ChEMBL_2335246	Inhibition of ACVR1 (unknown origin)
50019766	24	ChEMBL_2335247	Inhibition of NLK (unknown origin)
50019766	25	ChEMBL_2335248	Inhibition of BMPR1B (unknown origin)
50019766	26	ChEMBL_2335249	Inhibition of GAK (unknown origin)
50019766	27	ChEMBL_2335250	Inhibition of ACVRL1 (unknown origin)
50019766	28	ChEMBL_2335251	Inhibition of KIT (unknown origin)
50019766	29	ChEMBL_2335252	Inhibition of HCK (unknown origin)
50019766	30	ChEMBL_2335343	Inhibition of Nano-Luc fused full length recombinant SIK1 (unknown origin) transfected in HEK293 cells using AMARAASAAALARRR as substrate incubated for 1 hr in presence of ATP by NanoBRET assay
50019766	31	ChEMBL_2335344	Inhibition of Nano-Luc fused full length recombinant SIK2 (unknown origin) transfected in HEK293 cells using AMARAASAAALARRR as substrate incubated for 1 hr in presence of ATP by NanoBRET assay
50019766	32	ChEMBL_2335345	Inhibition of Nano-Luc fused full length recombinant SIK3 (unknown origin) transfected in HEK293 cells using AMARAASAAALARRR as substrate incubated for 1 hr in presence of ATP by NanoBRET assay
50019766	33	ChEMBL_2335346	Inhibition of human recombinant PDGFRalpha by microfluidic mobility shift assay
50019766	34	ChEMBL_2335347	Inhibition of human recombinant CSK by microfluidic mobility shift assay
50019766	35	ChEMBL_2335348	Inhibition of human recombinant TNIK by microfluidic mobility shift assay
50019766	36	ChEMBL_2335349	Inhibition of human recombinant TBK1 by microfluidic mobility shift assay
50019766	37	ChEMBL_2335350	Inhibition of human recombinant IKKepsilon by microfluidic mobility shift assay
50019766	38	ChEMBL_2335351	Inhibition of human recombinant ABL1 by microfluidic mobility shift assay
50019766	39	ChEMBL_2335352	Inhibition of SIK1 (unknown origin)
50019766	40	ChEMBL_2335353	Inhibition of SIK2 (unknown origin)
50019766	41	ChEMBL_2335354	Inhibition of SIK3 (unknown origin)
50019766	42	ChEMBL_2335366	Inhibition of GST fused recombinant SIK1 (unknown origin) expressed in HEK293 cells ALNRTSSDSALHRRR as substrate incubated for 1 hr in presence of ATP
50019766	43	ChEMBL_2335367	Inhibition of GST fused recombinant SIK2 (unknown origin) expressed in HEK293 cells ALNRTSSDSALHRRR as substrate incubated for 1 hr in presence of ATP
50019766	44	ChEMBL_2335368	Inhibition of GST fused recombinant SIK3 (unknown origin) expressed in HEK293 cells ALNRTSSDSALHRRR as substrate incubated for 1 hr in presence of ATP
50019766	45	ChEMBL_2335369	Inhibition of TBK1 (unknown origin)
50019766	46	ChEMBL_2335370	Inhibition of MARK1 (unknown origin)
50019766	47	ChEMBL_2335371	Inhibition of MARK3 (unknown origin)
50019766	48	ChEMBL_2335372	Inhibition of MARK4 (unknown origin)
50019766	49	ChEMBL_2335373	Inhibition of MARK2 (unknown origin)
50019766	50	ChEMBL_2335374	Inhibition of IKKepsilon (unknown origin)
50019766	51	ChEMBL_2335375	Inhibition of NUAK1 (unknown origin)
50019766	52	ChEMBL_2335376	Inhibition of AMPKalpha1/2 (unknown origin)
50019766	53	ChEMBL_2335377	Inhibition of MELK (unknown origin)
50019768	1	ChEMBL_2335411	Binding affinity to biotinylated SOS1 (unknown origin) by surface plasmon resonance analysis
50019768	2	ChEMBL_2335412	Binding affinity to biotinylated SOS2 (unknown origin) by surface plasmon resonance analysis
50019769	1	ChEMBL_2335456	Inhibition of Leishmania infantum Trypanothione reductase expressed in Escherichia coli BL21 (DE3) using trypanothione as substrate preincubated for 3 mins followed NADPH addition by spectrophotometric analysis
50019769	2	ChEMBL_2335459	Competitive inhibition of Leishmania infantum Trypanothione reductase expressed in Escherichia coli BL21 (DE3) using trypanothione as substrate preincubated for 3 mins followed NADPH addition by Dixon plot analysis
50019770	1	ChEMBL_2335555	Binding affinity to BTK (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019770	2	ChEMBL_2335556	Binding affinity to BTK C481S mutant (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50019771	1	ChEMBL_2335676	Induction of nuclear translocation of FOXO3 in human U2OS cells by inverted microscopic analysis
50019773	1	ChEMBL_2335695	Displacement of ([125I]-Tyr4)-Angiotensin-II from recombinant human AT2R by gamma scintillation counter assay
50019774	1	ChEMBL_2335696	Binding affinity to human recombinant full length N-terminal Alexa647-NHS labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 20 mins by microscale thermophoresis analysis
50019774	2	ChEMBL_2335697	Binding affinity to human BADAN labeled cardiac troponin C expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of Ca2+ by fluorescence based spectra analysis
50019774	3	ChEMBL_2335698	Displacement of N-terminal FAM labeled cTNI switch peptide probe from human full length cardiac troponin C in presence of CaCl2 by fluorescence polarization assay
50019776	1	ChEMBL_2335800	Inhibition of CBP (unknown origin) by radiometric assay
50019776	2	ChEMBL_2335801	Inhibition of EP300 (unknown origin) by radiometric assay
50019777	1	ChEMBL_2335828	Inhibition of full length recombinant human N-terminal GST-tagged HPK1 expressed in baculovirus infected Sf21 insect cells preincubated for 15 mins followed by MBP and ATP addition measured after 120 mins by ADP-Glo reagent based assay
50019779	1	ChEMBL_2335829	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells incubated for 4 hrs by HTRF assay
50019780	1	ChEMBL_2335850	Binding affinity to human recombinant NLRP3 inflammasome
50019781	1	ChEMBL_2335906	Inhibition of auto-phosphorylation of human GST-tagged NIK/MAP3K14 measured for 2 hrs by AlphaScreen assay
50019783	1	ChEMBL_2335972	Inhibition of human DHODH assessed as dissociation constant by surface plasmon resonance (SPR) based spectrophotometric analysis
50019783	2	ChEMBL_2335973	Inhibition of human DHODH by surface plasmon resonance (SPR) based spectrophotometric analysis
50019783	3	ChEMBL_2335974	Inhibition of human DHODH in MOLM-13 AML cells
50019784	1	ChEMBL_2335991	Inhibition of Cav2.2 in human SH-SY5Y cells assessed as inhibition of calcium influx measured for 300 secs in presence of Cav1 blocker, nifedipine by FLIPR assay
50019784	2	ChEMBL_2335992	Inhibition of human Cav2.2 expressed in HEK293T cells assessed as inhibition of channel current by whole cell patch clamp analysis
50019784	3	ChEMBL_2335993	Inhibition of human Cav3.2 expressed in HEK293T cells assessed as inhibition of channel current by whole cell patch clamp analysis
50019784	4	ChEMBL_2335994	Inhibition of human recombinant Cav3.2 alpha1 subunit expressed in HEK293T cells assessed as inhibition of calcium influx measured for 300 secs by FLIPR assay
50019785	1	ChEMBL_2336044	Binding affinity to DNA polymerase beta (unknown origin) by SPR analysis
50019785	2	ChEMBL_2336045	Inhibition of human DNA polymerase beta incubated for 30 mins in presence of dNTP by PAGE based assay
50019785	3	ChEMBL_2336046	Inhibition of DNA polymerase beta (unknown origin) incubated for 20 mins in presence of dTTP by microplate reader based assay
50019785	4	ChEMBL_2336047	Inhibition of DNA polymerase beta (unknown origin)
50019787	1	ChEMBL_2336048	Binding affinity to 5-HT2B receptor (unknown origin) assessed as inhibition constant
50019787	2	ChEMBL_2336061	Binding affinity to 5-HT1B receptor (unknown origin) assessed as inhibition constant
50019787	3	ChEMBL_2336062	Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant
50019787	4	ChEMBL_2336064	Inhibition of COX1 (unknown origin)
50019787	5	ChEMBL_2336065	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition by colorimetric assay
50019787	6	ChEMBL_2336070	Inhibition of COX2 (unknown origin) fluorescence based analysis
50019787	7	ChEMBL_2336071	Inhibition of human COX1
50019787	8	ChEMBL_2336074	Binding affinity to dopamine D1 receptor (unknown origin) assessed as inhibition constant
50019787	9	ChEMBL_2336075	Inhibition of dopamine receptor (unknown origin)
50019787	10	ChEMBL_2336077	Binding affinity to dopamine D2 receptor (unknown origin) assessed as inhibition constant
50019787	11	ChEMBL_2336086	Binding affinity to human beta 2 adrenergic receptor assessed as inhibition constant
50019787	12	ChEMBL_2336098	Inhibition of DNA polymerase alpha (unknown origin)
50019787	13	ChEMBL_2336100	Inhibition of HIV-1 protease
50019788	1	ChEMBL_2336110	Inhibition of human full length recombinant ASK1 (654 to 971 residues) expressed in Sf21 cells using STK-substrate 3-biotin as substrate incubated for 2 hrs in presence of ATP followed by STK S3 Antibody-Eu addition and measured after 1 hr by homogeneous time resolved fluorescence assay
50019789	1	ChEMBL_2336155	Inhibition of N-terminal hexa-histidine tagged recombinant SARS-CoV-2 nsp14 RNA cap N7-methyltransferase activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins by filter binding assay based liquid scintillation counter analysis
50019791	1	ChEMBL_2336156	Inhibition of [125I](+/-)DOI binding to 5-HT2AR (unknown origin ) expressed in HEK293 cells assessed as inhibition constant by scintillation counter analysis
50019791	2	ChEMBL_2336157	Inhibition of 5-HT2AR (unknown origin ) assessed as inhibition constant
50019791	3	ChEMBL_2336158	Inhibition of [125I](+/-)DOI binding to 5-HT2BR (unknown origin ) expressed in CHO cells assessed as inhibition constant by scintillation counter analysis
50019791	4	ChEMBL_2336159	Inhibition of 5-HT2BR (unknown origin ) assessed as inhibition constant
50019793	1	ChEMBL_2336198	Inhibition of SARS-Cov-2 main protease using fluorogenic substrate [5-FAM]-AVLQSGFR-[Lys(Dabcyl)]-K-amide by fluorogenic assay
50019794	1	ChEMBL_2336200	Inhibition of PARP1 (unknown origin) by ELISA
50019795	1	ChEMBL_2336229	Inhibition of 5x6His-tagged ENL YEATS domain (unknown origin) using biotinylated peptide H3K9cr (1 to 20 residues) preincubated for 15 mins followed by substrate addition and measured after 30 mins by TR-FRET assay
50019795	2	ChEMBL_2336233	Binding affinity to ENL YEATS domain (unknown origin) at 100 uM by ITC analysis
50019795	3	ChEMBL_2336242	Inhibition of ENT YEATS domain (unknown origin) using photo-H3K9cr as substrate by competitive photo-cross-linking method
50019795	4	ChEMBL_2336243	Inhibition of wild type human ENL YEATS expressed in Escherichia coli Rosetta cells by AlphaScreen assay
50019795	5	ChEMBL_2336244	Inhibition of N-terminal StrepII-SUMO or SUMO-AviTag/Cterminal 6xHis tagged ENL (unknown origin) (1 to 148 residues) expressed in Escherichia coli BL21 (DE3) using H3K27cr (13 to 32 residues) incubated for 2 hrs by HTRF assay
50019796	1	ChEMBL_2336250	Displacement of [[125I]-Tyr23]-ACTH (1-39) from human MC2R incubated for 1.5 hrs by Topcount scintillation counting method
50019796	2	ChEMBL_2336259	Inhibition of human MC1R
50019796	3	ChEMBL_2336260	Inhibition of human MC3R
50019796	4	ChEMBL_2336261	Inhibition of human MC4R
50019796	5	ChEMBL_2336262	Inhibition of human MC5R
50019797	1	ChEMBL_2336311	Inhibition of JAK1 (unknown origin)
50019797	2	ChEMBL_2336312	Inhibition of JAK2 (unknown origin)
50019797	3	ChEMBL_2336313	Inhibition of JAK3 (unknown origin)
50019797	4	ChEMBL_2336314	Inhibition of TYK2 (unknown origin)
50019797	5	ChEMBL_2336315	Inhibition of recombinant epitope tagged JAK1 (unknown origin) (837 to 1142 residues) using peptide as substrate in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	6	ChEMBL_2336316	Inhibition of recombinant epitope tagged JAK2 (unknown origin) (828 to 1132 residues) using peptide as substrate in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	7	ChEMBL_2336317	Inhibition of recombinant epitope tagged JAK3 (unknown origin) (718 to 1124 residues) using peptide as substrate in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	8	ChEMBL_2336318	Inhibition of recombinant epitope tagged TYK2 (unknown origin) (873 to 1187 residues) using peptide as substrate in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	9	ChEMBL_2336319	Inhibition of recombinant human JAK1 (850 to end residues) using biotinylated TK substrate in presence of [33P]ATP
50019797	10	ChEMBL_2336320	Inhibition of recombinant human JAK2 (808 to end residues) using biotinylated TK substrate in presence of [33P]ATP
50019797	11	ChEMBL_2336321	Inhibition of recombinant human JAK3 (781 to end residues) using biotinylated TK substrate in presence of [33P]ATP
50019797	12	ChEMBL_2336322	Inhibition of recombinant human TYK2 (871 to end residues) using biotinylated TK substrate in presence of [33P]ATP
50019797	13	ChEMBL_2336323	Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 as substrate assessed as reduction in rate of substrate phosphorylation incubated for 1 hr in presence of ATP by ELISA method
50019797	14	ChEMBL_2336324	Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 as substrate assessed as reduction in rate of substrate phosphorylation incubated for 1 hr in presence of ATP by ELISA method
50019797	15	ChEMBL_2336325	Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 as substrate assessed as reduction in rate of substrate phosphorylation incubated for 1 hr in presence of ATP by ELISA method
50019797	16	ChEMBL_2336326	Inhibition of human TYK2 using Biotin-IRS1-Substrate as substrate assessed as reduction in rate of substrate phosphorylation incubated for 1 hr in presence of ATP by ELISA method
50019797	17	ChEMBL_2336327	Inhibition of N-terminal epitope tagged recombinant human JAK1 (837 to 1142 residues) expressed in baculovirus infected Sf21 cells using EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	18	ChEMBL_2336328	Inhibition of N-terminal epitope tagged recombinant human JAK2 (828 to 1132 residues) expressed in baculovirus infected Sf21 cells using EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	19	ChEMBL_2336329	Inhibition of N-terminal epitope tagged recombinant human JAK3 (781 to 1124 residues) expressed in baculovirus infected Sf21 cells using EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	20	ChEMBL_2336330	Inhibition of N-terminal epitope tagged recombinant human TYK2 (873 to 1187 residues) expressed in baculovirus infected Sf21 cells using EQEDEPEGDYFEWLE peptide as substrate incubated for 1 hr in presence of ATP by homogeneous time-resolved fluorescence assay
50019797	21	ChEMBL_2336331	Inhibition of recombinant human GST-tagged JAK1 catalytic domain (845 to 1142 residues) expressed in Sf9 cells in presence of ATP
50019797	22	ChEMBL_2336332	Inhibition of recombinant human GST-tagged JAK3 catalytic domain (811 to 1103 residues) expressed in Sf9 cells in presence of ATP
50019797	23	ChEMBL_2336333	Inhibition of recombinant human JAK2 in presence of ATP
50019797	24	ChEMBL_2336334	Inhibition of recombinant human N-terminal histidine-tagged/C-terminal FLAG-tagged TYK2 (880 to 1185 residues) in presence of ATP
50019797	25	ChEMBL_2336335	Inhibition of recombinant human JAK1 using ULight-JAK-1(Tyr1023) peptide as substrate assessed as incorporation of phosphate into the substrate preincubated with compound for 60 mins followed by substrate addition and measured after 90 mins in presence of ATP
50019797	26	ChEMBL_2336336	Inhibition of recombinant human JAK2 using ULight-JAK-1(Tyr1023) peptide as substrate assessed as incorporation of phosphate into the substrate preincubated with compound for 60 mins followed by substrate addition and measured after 90 mins in presence of ATP
50019797	27	ChEMBL_2336337	Inhibition of recombinant human JAK3 using ULight-JAK-1(Tyr1023) peptide as substrate assessed as incorporation of phosphate into the substrate preincubated with compound for 60 mins followed by substrate addition and measured after 90 mins in presence of ATP
50019797	28	ChEMBL_2336338	Inhibition of recombinant human TYK2 using ULight-JAK-1(Tyr1023) peptide as substrate assessed as incorporation of phosphate into the substrate preincubated with compound for 60 mins followed by substrate addition and measured after 90 mins in presence of ATP
50019797	29	ChEMBL_2336339	Inhibition of JAK3 (unknown origin) in presence of ATP
50019797	30	ChEMBL_2336340	Inhibition of JAK1 (unknown origin) in presence of ATP
50019797	31	ChEMBL_2336341	Inhibition of JAK2 (unknown origin) in presence of ATP
50019797	32	ChEMBL_2336342	Inhibition of TYK2 (unknown origin) in presence of ATP
50019797	33	ChEMBL_2336343	Inhibition of TEC (unknown origin) in presence of ATP
50019797	34	ChEMBL_2336344	Inhibition of SYK (unknown origin)
50019797	35	ChEMBL_2336345	Inhibition of MST1 (unknown origin)
50019797	36	ChEMBL_2336346	Inhibition of ARK5 (unknown origin)
50019797	37	ChEMBL_2336347	Inhibition of MLK1 (unknown origin)
50019797	38	ChEMBL_2336348	Inhibition of FMS (unknown origin)
50019797	39	ChEMBL_2336350	Inhibition of TBK1 (unknown origin)
50019797	40	ChEMBL_2336351	Inhibition of MARK1 (unknown origin)
50019797	41	ChEMBL_2336352	Inhibition of PAR1B-a (unknown origin)
50019797	42	ChEMBL_2336354	Inhibition of MST2 (unknown origin)
50019797	43	ChEMBL_2336355	Inhibition of GCK (unknown origin)
50019797	44	ChEMBL_2336356	Inhibition of JNK3 (unknown origin)
50019797	45	ChEMBL_2336357	Inhibition of RSK2 (unknown origin)
50019797	46	ChEMBL_2336358	Inhibition of RSK4 (unknown origin)
50019797	47	ChEMBL_2336359	Inhibition of CHK1 (unknown origin)
50019797	48	ChEMBL_2336360	Inhibition of FLT4 (unknown origin)
50019797	49	ChEMBL_2336361	Inhibition of FLT3 (unknown origin)
50019797	50	ChEMBL_2336362	Inhibition of RET (unknown origin)
50019797	51	ChEMBL_2336363	Inhibition of ITK (unknown origin)
50019797	52	ChEMBL_2336373	Inhibition of JAK1 (unknown origin) by flow cytometry analysis
50019797	53	ChEMBL_2336374	Inhibition of JAK2 (unknown origin) by flow cytometry analysis
50019797	54	ChEMBL_2336375	Inhibition of JAK3 (unknown origin) by flow cytometry analysis
50019797	55	ChEMBL_2336376	Inhibition of TYK2 (unknown origin) by flow cytometry analysis
50019797	56	ChEMBL_2336377	Inhibition of SYK (unknown origin) by flow cytometry analysis
50019797	57	ChEMBL_2336379	Inhibition of wild-type JAK2 (unknown origin)
50019797	58	ChEMBL_2336380	Inhibition of JAK2 V617F mutant (unknown origin)
50019797	59	ChEMBL_2336388	Inhibition of FLT3 (unknown origin) autophosphorylation
50019797	60	ChEMBL_2336389	Inhibition of wild-type JAK2 (unknown origin) expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated with substrate for 60 mins followed by compound addition and measured after 20 mins by time-resolve fluorescence assay
50019797	61	ChEMBL_2336390	Inhibition of JAK2 V617F mutant phosphorylation in HEL 92.1.7 cells incubated for 24 hrs by Western blot analysis
50019797	62	ChEMBL_2336391	Inhibition of STAT3 phosphorylation in HEL 92.1.7 cells incubated for 24 hrs by Western blot analysis
50019797	63	ChEMBL_2336392	Inhibition of STAT5 phosphorylation in HEL 92.1.7 cells incubated for 24 hrs by Western blot analysis
50019797	64	ChEMBL_2336397	Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP
50019797	65	ChEMBL_2336398	Inhibition of FLT3 (unknown origin) using FAM-labeled peptide as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP
50019797	66	ChEMBL_2336402	Inhibition of recombinant c-Src (unknown origin) incubated for 120 mins in presence of [33P]-ATP by hotspot assay
50019797	67	ChEMBL_2336403	Inhibition of recombinant GST-tagged JAK1 catalytic domain (unknown origin) using pEY (4:1) as substrate incubated for 120 mins in presence of 33P-labeled ATP
50019797	68	ChEMBL_2336404	Inhibition of recombinant GST-tagged JAK2 catalytic domain (unknown origin) using pEY (4:1) as substrate incubated for 120 mins in presence of 33P-labeled ATP
50019797	69	ChEMBL_2336405	Inhibition of recombinant GST-tagged TYK2 catalytic domain (unknown origin) using pEY (4:1) as substrate incubated for 120 mins in presence of 33P-labeled ATP
50019797	70	ChEMBL_2336406	Inhibition of recombinant GST-tagged c-Src catalytic domain (unknown origin) using pEY (4:1) as substrate incubated for 120 mins in presence of 33P-labeled ATP
50019797	71	ChEMBL_2336407	Inhibition of recombinant JAK1 (unknown origin) incubated for 120 mins in presence of [33P]-ATP by hotspot assay
50019797	72	ChEMBL_2336408	Inhibition of recombinant JAK2 (unknown origin) incubated for 120 mins in presence of [33P]-ATP by hotspot assay
50019797	73	ChEMBL_2336409	Inhibition of recombinant TYK2 (unknown origin) incubated for 120 mins in presence of [33P]-ATP by hotspot assay
50019798	1	ChEMBL_2336435	Inhibition of ABCB1 in human HEK293 cells
50019798	2	ChEMBL_2336436	Inhibition of ABCB1 in human HEK293 cells in the presence of doxorubicin
50019798	3	ChEMBL_2336439	Inhibition of P-gp1 efflux in human Flp-In-293 cells using rhodamine as substrate assessed as increase in intracellular accumulation of rhodamine 123 preincubated for 30 mins followed by substrate addition and measured for 10 mins by fluorescence based assay
50019798	4	ChEMBL_2336440	Inhibition of P-gp1 efflux in human Flp-In-293 cells using calcein-AM as substrate assessed as increase in intracellular accumulation of calcein-AM preincubated for 30 mins followed by substrate addition and measured for 30 mins by fluorescence based assay
50019798	5	ChEMBL_2336453	Inhibition of VEGFR1 (unknown origin) using KKKSPGEYVNIEFG as substrate at 2 uM by [gamma-33P]ATP based analysis
50019798	6	ChEMBL_2336454	Inhibition of ABCB1 efflux pump in human LS180 cells using Rh123 as substrate incubated for 90 mins by fluorescence based assay
50019798	7	ChEMBL_2336465	Inhibition of ABCB1 in multi-drug resistance human HL-60 cells assessed as increase in daunorubicin accumulation
50019798	8	ChEMBL_2336466	Inhibition of ABCG2 efflux pump in multi-drug resistance human HL-60 cells assessed as reversal of daunorubicin sensitivity
50019800	1	ChEMBL_2336509	Displacement of [1251][D-Trp6]-LH-RH from human GnRH-R expressed in Chem-1 cells incubated for 60 mins by liquid scintillation counting analysis
50019802	1	ChEMBL_2336538	Inhibition of wild-type Mycobacterium tuberculosis Eis expressed in Escherichia coli BL21(DE3) cells incubated for 5 mins by Ellman's method
50019802	2	ChEMBL_2336579	Binding affinity to wild-type Mycobacterium tuberculosis Eis expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant incubated for 5 mins by Ellman's method based Michaelis-Menten analysis
50019805	1	ChEMBL_2336643	Inhibition of aurora C (unknown origin)
50019805	2	ChEMBL_2336644	Inhibition of aurora B (unknown origin)
50019805	3	ChEMBL_2336645	Inhibition of aurora A (unknown origin)
50019805	4	ChEMBL_2336646	Inhibition of EGFR (unknown origin) in the presence of ATP by Kinase-Glo Plus luminescence kinase assay
50019805	5	ChEMBL_2336648	Inhibition of EGFR (unknown origin)
50019805	6	ChEMBL_2336649	Inhibition of VEGFR-2 (unknown origin)
50019806	1	ChEMBL_2336656	Inhibition of human METTL3 by reader based HTRF assay
50019806	2	ChEMBL_2336657	Inhibition of full length His-tagged METTL3 in baculovirus expression system (unknown origin) measured by mass spectrometric analysis
50019806	3	ChEMBL_2336669	Inhibition of human recombinant full length METTL3/human N-terminal FLAG-tagged METTL14 expressed in SF9 cells assessed as methyltransferase residual activity using ssRNA 5'-rUrArC rArCrU rCrGrA rUrCrU rGrGrA rCrUrA rArArG rCrUrG rCrUrC -3' as substrate incubated for 20 mins followed by H-SAM addition measured after 2 hrs by radio isotope reaction system analysis
50019807	1	ChEMBL_2336677	Inhibition of P13Kalpha (unknown origin)
50019807	2	ChEMBL_2336678	Inhibition of P13Kbeta (unknown origin)
50019807	3	ChEMBL_2336679	Inhibition of P13Kgamma (unknown origin)
50019807	4	ChEMBL_2336680	Inhibition of P13Kdelta (unknown origin)
50019807	5	ChEMBL_2336681	Inhibition of mTOR (unknown origin)
50019807	6	ChEMBL_2336688	Inhibition of human recombinant PI3Kgamma using phosphatidylinositol as substrate in presence of [gamma33P]ATP by scintillation proximity assay
50019807	7	ChEMBL_2336689	Inhibition of human PKBbeta
50019807	8	ChEMBL_2336690	Inhibition of PKBalpha (unknown origin)
50019807	9	ChEMBL_2336691	Inhibition of PKBgamma (unknown origin)
50019807	10	ChEMBL_2336692	Inhibition of PKBbeta (unknown origin) using (HARKRERTYSFGHHA) as substrate incubated for 4 hours
50019807	11	ChEMBL_2336693	Inhibition of PKBbeta (unknown origin)
50019807	12	ChEMBL_2336695	Inhibition of PDK1 (unknown origin)
50019807	13	ChEMBL_2336696	Inhibition of full-length human mTOR by immunoprecipitation method
50019807	14	ChEMBL_2336697	Inhibition of mTORC1 (unknown origin)
50019807	15	ChEMBL_2336698	Inhibition of mTORC2 (unknown origin)
50019807	16	ChEMBL_2336699	Inhibition of mTORC2 (unknown origin) using GST-tagged AKT as substrate by SPR analysis
50019807	17	ChEMBL_2336700	Inhibition of P13Kalpha (unknown origin) in the presence of ATP by scintillation proximity assay
50019807	18	ChEMBL_2336701	Inhibition of P13Kbeta (unknown origin) in the presence of ATP by scintillation proximity assay
50019807	19	ChEMBL_2336702	Inhibition of P13Kgamma (unknown origin) in the presence of ATP by scintillation proximity assay
50019807	20	ChEMBL_2336703	Inhibition of P13Kdelta (unknown origin) in the presence of ATP by scintillation proximity assay
50019807	21	ChEMBL_2336704	Inhibition of mTOR (unknown origin) in the presence of ATP by TR-FRET-based LanthaScreen method
50019807	22	ChEMBL_2336705	Inhibition of recombinant mTOR (unknown origin) using (4eBP1)26 as substrate incubated for 1 hrs in the presence of ATP by [gamma33P]ATP based scintillation counting analysis
50019807	23	ChEMBL_2336706	Inhibition of recombinant P13Kalpha (unknown origin) using phosphatidyl inositol and phosphatidyl serine as substrate incubated for 1 hrs in the presence of ATP by [gamma33P]ATP based scintillation counting analysis
50019807	24	ChEMBL_2336707	Inhibition of human P13Kalpha incubated for 2 hrs by fluorescent polarization method
50019807	25	ChEMBL_2336708	Inhibition of N-terminal His-tagged recombinant human P13Kalpha incubated for 60 mins in presence of ATP by kinase-glo luminescence assay
50019807	26	ChEMBL_2336709	Inhibition of full length His-tagged recombinant human P13Kgamma expressed in baculovirus incubated for 60 mins in presence of ATP by kinase-glo luminescence assay
50019807	27	ChEMBL_2336710	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) incubated for 60 mins in presence of ATP by LANCE Ultra phosphatase assay
50019807	28	ChEMBL_2336711	Inhibition of human P13Kalpha assessed as inhibition constant by fluorescence polarization assay
50019807	29	ChEMBL_2336712	Inhibition of human mTOR assessed as inhibition constant by fluorescence polarization assay
50019807	30	ChEMBL_2336713	Inhibition of PKB phosphorylation in human BT-20 cells incubated for 1 hrs by ELISA
50019807	31	ChEMBL_2336714	Inhibition of PKB phosphorylation in human SK-OV-3 cells incubated for 1 hrs by ELISA
50019807	32	ChEMBL_2336715	Inhibition of PKB phosphorylation in human U87 cells incubated for 1 hrs by ELISA
50019807	33	ChEMBL_2336719	Inhibition of mTORC1 (unknown origin) assessed as inhibition constant
50019807	34	ChEMBL_2336720	Inhibition of mTORC2 (unknown origin) assessed as inhibition constant
50019807	35	ChEMBL_2336721	Inhibition of P13Kalpha (unknown origin) assessed as inhibition constant
50019807	36	ChEMBL_2336722	Inhibition of P13Kbeta (unknown origin) assessed as inhibition constant
50019807	37	ChEMBL_2336724	Inhibition of P13Kdelta (unknown origin) assessed as inhibition constant
50019807	38	ChEMBL_2336725	Inhibition of mTOR in HEK 293 cells incubated with anti-mTOR antibody for 1.5 hrs followed by compound addition for 10 mins and measured for 30 mins in the presence of ATP by western immunoblot analysis
50019807	39	ChEMBL_2336726	Inhibition of C-terminal His-tagged full length P13Kalpha (unknown origin) using l-alpha-phosphatidylinositol as substrate incubated for 120 mins in the presence of ATP by Kinase-Glo assay
50019807	40	ChEMBL_2336727	Inhibition of C-terminal His-tagged full length P13Kbeta (unknown origin) using l-alpha-phosphatidylinositol as substrate incubated for 120 mins in the presence of ATP by Kinase-Glo assay
50019807	41	ChEMBL_2336728	Inhibition of C-terminal His-tagged full length P13Kgamma (unknown origin) using l-alpha-phosphatidylinositol as substrate incubated for 120 mins in the presence of ATP by Kinase-Glo assay
50019807	42	ChEMBL_2336729	Inhibition of C-terminal His-tagged full length P13Kdelta (unknown origin) using l-alpha-phosphatidylinositol as substrate incubated for 120 mins in the presence of ATP by Kinase-Glo assay
50019807	43	ChEMBL_2336730	Inhibition of recombinant human P13Kalpha in the presence of ATP by scintillation proximity assay
50019807	44	ChEMBL_2336731	Inhibition of mTOR (unknown origin) by lanthascreen kinase assay
50019808	1	ChEMBL_2336733	Inhibition of human CLK1 using GRSRSRSRSRSRSRS as substrate incubated for 15 mins in presence of ATP by gamma32P-ATP based analysis
50019808	2	ChEMBL_2336735	Inhibition of human CLK2 using GRSRSRSRSRSRSRS as substrate incubated for 15 mins in presence of ATP by gamma32P-ATP based analysis
50019808	3	ChEMBL_2336743	Inhibition of CLK4 (unknown origin) in presence of ATP
50019808	4	ChEMBL_2336745	Inhibition of DYRK1A (unknown origin) in presence of ATP
50019808	5	ChEMBL_2336762	Binding affinity to NanoLuc-fused CLK1 (unknown origin) transfected in HEK293T cells assessed as target engagement incubated for 3 hrs by tracer K5 based NanoBRET assay
50019808	6	ChEMBL_2336763	Binding affinity to NanoLuc-fused CLK1 (unknown origin) transfected in HEK293T cells assessed as target engagement by measuring inhibition constant incubated for 3 hrs by tracer K5 based NanoBRET assay
50019808	7	ChEMBL_2336764	Inhibition of NanoLuc-fused CLK1 (unknown origin) transfected in HEK293T cells incubated for 3 hrs in presence of ATP by tracer K5 based NanoBRET assay
50019812	1	ChEMBL_2336767	Inhibition of SHP2 (unknown origin) PTPase activity using DiFMUP as substrate incubated for 20 mins by fluorescence plate reader assay
50019812	2	ChEMBL_2336769	Inhibition of SHP2 (unknown origin) PTPase activity using DiFMUP as substrate in presence of 1 nM enzyme incubated for 20 mins by fluorescence plate reader analysis
50019812	3	ChEMBL_2336770	Inhibition of SHP2 (unknown origin) PTPase activity using DiFMUP as substrate in presence of 2.5 nM enzyme incubated for 20 mins by fluorescence plate reader analysis
50019812	4	ChEMBL_2336771	Inhibition of SHP2 (unknown origin) PTPase activity using DiFMUP as substrate in presence of 5 nM enzyme incubated for 20 mins by fluorescence plate reader analysis
50019812	5	ChEMBL_2336772	Inhibition of SHP2 (unknown origin) PTPase activity using pNPP as substrate in presence of 1 nM enzyme incubated for 1 hr by plate reader analysis
50019812	6	ChEMBL_2336773	Inhibition of SHP2 (unknown origin) PTPase activity using pNPP as substrate in presence of 2.5 nM enzyme incubated for 2 hrs by plate reader analysis
50019812	7	ChEMBL_2336774	Inhibition of SHP2 (unknown origin) PTPase activity using pNPP as substrate in presence of 5 nM enzyme incubated for 3 hrs by plate reader analysis
50019812	8	ChEMBL_2336775	Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using DiFMUP as substrate incubated for 20 mins by fluorescence plate reader analysis
50019812	9	ChEMBL_2336776	Inhibition of PTP1B (unknown origin) using DiFMUP as substrate incubated for 20 mins by fluorescence plate reader analysis
50019813	1	ChEMBL_2336807	Inhibition of beta-catenin (unknown origin) to BCL9-FAM (unknown origin) protein-protein interaction preincubated for 2 hrs followed by BCL9 addition and measured after 2 hrs by fluorescence polarization assay
50019813	2	ChEMBL_2336810	Inhibition of full length beta-catenin (unknown origin) to BCL9-FAM (350 to 375 residues) (unknown origin) protein-protein interaction incubated for 2 hrs by fluorescence polarization assay
50019813	3	ChEMBL_2336811	Binding affinity to full length His-tagged beta-catenin (1 to 781 residues) (unknown origin) expressed in Escherichia coli DE3 by surface plasmon resonance assay
50019814	1	ChEMBL_2337004	Reversible inhibition of GDP-bound recombinant human KRAS G12S mutant assessed as inhibition constant by mass spectrometry analysis
50019814	2	ChEMBL_2337012	Inhibition of GTP-bound KRAS G12S mutant in human A549 cells incubated for 2 hrs by immunoblot analysis
50019815	1	ChEMBL_2337015	Inhibition of wildtype alpha-synuclein (unknown origin) aggregation expressed in Escherichia coli BL21 (DE3) cells assessed as decrease in relative fluorescence intensity incubated for 72 hrs by ThT dye based fluorescence spectrophotometric analysis relative to control
50019816	1	ChEMBL_2337100	Antagonist activity at AR transcription in human 22Rv1 cells incubated for 24 hrs in presence of R1881
50019817	1	ChEMBL_2337104	Inhibition of Mycobacterium tuberculosis MenA
50019817	2	ChEMBL_2337106	Displacement of [3H]FPP from Mycobacterium tuberculosis mc2 6230 membrane protein MenA incubated for 30 mins by liquid scintillation spectrometry
50019818	1	ChEMBL_2337120	Inhibition of human DNA topoisomerase 2 alpha assessed as relaxation of supercoiled plasmid pNO1 DNA incubated for 30 mins by fluorescence based analysis
50019818	2	ChEMBL_2337121	Inhibition of human DNA topoisomerase 2 beta assessed as relaxation of supercoiled plasmid pBR322 DNA incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis
50019818	3	ChEMBL_2337122	Inhibition of human DNA topoisomerase 2 alpha assessed as ATP hydrolysis measured for 30 mins by absorbance based assay
50019818	4	ChEMBL_2337123	Inhibition of human DNA Topoisomerase 1 assessed as relaxation of supercoiled plasmid pBR322 DNA incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis
50019819	1	ChEMBL_2337173	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50019819	2	ChEMBL_2337175	Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50019819	3	ChEMBL_2337176	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DTNB-reagent based Ellman's method
50019819	4	ChEMBL_2337179	Inhibition of mouse GAT1 expressed in HEK293 cells assessed as reduction in [3H]-GABA uptake incubated for 10 mins
50019819	5	ChEMBL_2337182	Inhibition of mouse GAT4 expressed in HEK293 cells assessed as reduction in [3H]-GABA uptake incubated for 10 mins
50019819	6	ChEMBL_2337237	Inhibition of human recombinant BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured every 2 mins by DTNB-reagent based Ellman's method
50019819	7	ChEMBL_2337238	Inhibition of human recombinant BACE-1 expressed in baculovirus using swedish mutant of APP based Rh-EVNLDAEFK-quencher as substrate incubated for 60 mins by FRET assay
50019820	1	ChEMBL_2337239	Antagonist activity at human TRPV4
50019820	2	ChEMBL_2337241	Antagonist activity at TRPV4 (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of GSK1016790A induced Ca2+ influx by calcium imaging method
50019821	1	ChEMBL_2337253	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)-Lys-NH2 substrate preincubated for 10 mins followed by substrate addition measured for 3.5 mins by FRET assay
50019821	2	ChEMBL_2337254	Binding affinity to CM5 chip-immobilised full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by SPR analysis
50019821	3	ChEMBL_2337255	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)-Lys-NH2 substrate preincubated for 10 mins followed by substrate addition measured immediately by FRET assay
50019821	4	ChEMBL_2337256	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)-Lys-NH2 substrate preincubated for 10 mins followed by substrate addition measured after 5 mins by FRET assay
50019821	5	ChEMBL_2337257	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)-Lys-NH2 substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by FRET assay
50019821	6	ChEMBL_2337258	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells using fluorogenic MCA-AVLQSGFR-Lys (Dnp)-Lys-NH2 substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by FRET assay
50019821	7	ChEMBL_2337260	Inhibition of SARS-CoV-2 PLpro using RLRGG-AMC substrate preincubated for 30 mins followed by substrate addition measured for 5 mins by fluorescence based assay
50019821	8	ChEMBL_2337261	Inhibition of chymotrypsin (unknown origin) using N-succinyl-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by fluorescence based assay
50019821	9	ChEMBL_2337262	Inhibition of human Cathepsin B using Z-RR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 10 mins by FRET assay
50019821	10	ChEMBL_2337263	Inhibition of human Cathepsin L using Z-VVR-AMC as substrate measured for 10 mins by fluorescence based assay
50019822	1	ChEMBL_2337266	Inhibition of human ATX using LPC as substrate preincubated with compound for 15 mins followed by substrate addition measured after 30 mins by Amplex Red reagent based fluorescence analysis
50019822	2	ChEMBL_2337267	Inhibition of mouse ATX using LPC as substrate preincubated with compound for 15 mins followed by substrate addition measured after 30 mins by Amplex Red reagent based fluorescence analysis
50019822	3	ChEMBL_2337274	Mixed type inhibition of human ATX assessed as inhibition constant using LPC as substrate by Lineweaver-Burk plot analysis
50019822	4	ChEMBL_2337276	Inhibition of PDE (unknown origin)
50019823	1	ChEMBL_2337386	Inhibition of HIV-1 reverse transcriptase expressed in Escherichia coli
50019823	2	ChEMBL_2337393	Inhibition of Hepatitis C virus NS5B polymerase
50019824	1	ChEMBL_2337573	Inhibition of PDK1 (unknown origin) incubated for 30 mins followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo luminescent assay
50019824	2	ChEMBL_2337578	Inhibition of human recombinant HSP90 incubated for 30 mins by fluorescence polarization based analysis
50019825	1	ChEMBL_2337602	Inhibition of His6-tagged Gst fused recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate expressed in insect Hi-5 cells measured after 24 hrs by fluorescence based assay
50019825	2	ChEMBL_2337603	Inhibition of His6-tagged Gst fused recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate expressed in insect Hi-5 cells measured after 24 hrs by fluorescence based assay
50019825	3	ChEMBL_2337611	Binding affinity to CRBN (unknown origin) assessed as dissociation constant by Tr-FRET assay
50019825	4	ChEMBL_2337619	Inhibition of RIPK2 (unknown origin) by fluorescence polarization assay
50019826	1	ChEMBL_2337627	Inhibition of mouse SLC26A3 expressed in FRT cells coexpressing YFP iodide-sensing protein assessed as iodide-chloride exchange incubated for 10 mins by fluorescence quenching analysis
50019828	1	ChEMBL_2337665	Inhibition of CDK2 (unknown origin)
50019828	2	ChEMBL_2337666	Inhibition of CDC2 (unknown origin)
50019828	3	ChEMBL_2337667	Inhibition of CDK5 (unknown origin)
50019828	4	ChEMBL_2337673	Inhibition of LSD1 (unknown origin) by fluorescence based analysis
50019828	5	ChEMBL_2337674	Inhibition of LSD1 (unknown origin) assessed as inhibition constant by fluorescence based analysis
50019828	6	ChEMBL_2337675	Inhibition of human BRD4 BD1 by TR-FRET assay
50019828	7	ChEMBL_2337676	Inhibition of human BRD4 BD2 by TR-FRET assay
50019828	8	ChEMBL_2337677	Inhibition of EED (unknown origin)
50019828	9	ChEMBL_2337678	Inhibition of EED (unknown origin) assessed dissociation constant
50019828	10	ChEMBL_2337681	Inhibition of pax2 (unknown origin) in human SK-OV-3 cells measured after 24 hrs by immunoblotting analysis
50019828	11	ChEMBL_2337682	Inhibition of USP28 (unknown origin)
50019828	12	ChEMBL_2337683	Inhibition of USP7 (unknown origin)
50019828	13	ChEMBL_2337684	Inhibition of LSD1 (unknown origin)
50019828	14	ChEMBL_2337685	Inhibition of human GCN2 (unknown origin)
50019828	15	ChEMBL_2337686	Inhibition of human recombinant GCN2 using eIF2alpha as substrate
50019828	16	ChEMBL_2337687	Inhibition of human recombinant GCN2 by P-ATP kinase assay
50019829	1	ChEMBL_2337734	Binding affinity to PKM2 (unknown origin) assessed as dissociation constant associated for 60 secs and dissociated for 90 secs by bio-layer interferometry analysis
50019829	2	ChEMBL_2337744	Binding affinity to PDK1 (unknown origin) assessed as dissociation constant associated for 60 secs and dissociated for 90 secs by bio-layer interferometry analysis
50019830	1	ChEMBL_2337812	Binding affinity to histamine H4 receptor (unknown origin) assessed as inhibition constant
50019830	2	ChEMBL_2337813	Inhibition of guinea pig leukotriene D4
50019830	3	ChEMBL_2337814	Inhibition of recombinant 5-LOX (unknown origin) using H2DCFDA as substrate by measuring fluorescent 2',7'-dichlorofluorescein incubated for 35 mins by plate reader analysis
50019830	4	ChEMBL_2337815	Inhibition of 5-LO (unknown origin)
50019830	5	ChEMBL_2337816	Inhibition of LTC4 (unknown origin)
50019831	1	ChEMBL_2337818	Inhibition of plasmodium falciparum PK6 incubated for 2 hrs by luciferin-based luminescence assay
50019831	2	ChEMBL_2337838	Inhibition of N-terminal 6His-tagged plasmodium falciparum PK6 expressed in Escherichia coli BL21(DE3) incubated for 15 mins in presence of [gamma-32p]ATP and ATP by SDS-PAGE based autoradiography analysis
50019832	1	ChEMBL_2337840	Binding affinity to BRD4 bromo domain 1 (unknown origin) assessed as dissociation constant by ITC analysis
50019832	2	ChEMBL_2337841	Binding affinity to CBP (unknown origin) assessed as dissociation constant by ITC analysis
50019832	3	ChEMBL_2337847	Binding affinity to BRD4 bromo domain 1 (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	4	ChEMBL_2337848	Binding affinity to CBP (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	5	ChEMBL_2337850	Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	6	ChEMBL_2337851	Binding affinity to BRD9 (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	7	ChEMBL_2337852	Binding affinity to BRDT bromodomain 1 (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	8	ChEMBL_2337853	Binding affinity to CECR2 (unknown origin) assessed as dissociation constant by site-directed competition binding assay
50019832	9	ChEMBL_2337883	Binding affinity to BRD4 bromo domain 1 (unknown origin) assessed as dissociation constant
50019832	10	ChEMBL_2337884	Binding affinity to BRPF1 (unknown origin) assessed as dissociation constant
50019832	11	ChEMBL_2337885	Binding affinity to CBP (unknown origin) assessed as dissociation constant
50019833	1	ChEMBL_2337886	Inhibition of CDK9 (unknown origin) preincubated for 20 mins followed by [gamma-33P]ATP addition measured after 120 mins in presence of ATP by Hot-SpotSM kinase assay
50019833	2	ChEMBL_2337887	Inhibition of HDAC in human nuclear extract using Ac-Arg-Gly-Lys(Ac)-AMC as substrate incubated overnight by fluorescence based assay
50019833	3	ChEMBL_2337898	Inhibition of recombinant human HDAC1 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	4	ChEMBL_2337899	Inhibition of recombinant human HDAC2 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	5	ChEMBL_2337900	Inhibition of recombinant human HDAC3 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	6	ChEMBL_2337901	Inhibition of recombinant human HDAC4 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	7	ChEMBL_2337902	Inhibition of recombinant human HDAC5 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	8	ChEMBL_2337903	Inhibition of recombinant human HDAC6 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	9	ChEMBL_2337904	Inhibition of recombinant human HDAC7 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	10	ChEMBL_2337905	Inhibition of recombinant human HDAC8 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019833	11	ChEMBL_2337906	Inhibition of recombinant human HDAC9 using HDAC substrate incubated for 30 mins by fluorescence based assay
50019834	1	ChEMBL_2338050	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane at 1 uM by liquid scintillation counting analysis relative to control
50019834	2	ChEMBL_2338052	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant in presence of phenytoin by liquid scintillation counting analysis
50019834	3	ChEMBL_2338053	Antagonist activity at sigma1 receptor (unknown origin)
50019834	4	ChEMBL_2338054	Antagonist activity at sigma2 receptor (unknown origin)
50019835	1	ChEMBL_2338075	Inhibition of recombinant LSD1 (unknown origin) preincubated for 10 mins in presence of H3K4Me2 measured after 30 mins by measuring fluorescence intensity by fluorescence based microplate reader
50019835	2	ChEMBL_2338076	Inhibition of MAO-A (unknown origin) measured by MAO-GloTM method
50019835	3	ChEMBL_2338077	Inhibition of MAO-B (unknown origin) measured by MAO-GloTM method
50019836	1	ChEMBL_2338131	Inhibition of CDK8 (unknown origin) in presence of ATP by ADP-Glo assay
50019836	2	ChEMBL_2338158	Inhibition of CDK8/Cyclin C (unknown origin) preincubated for 10 mins followed by substrate addition measured for 60 to 120 mins by HTRF assay
50019836	3	ChEMBL_2338159	Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 60 to 120 mins by HTRF assay
50019836	4	ChEMBL_2338160	Inhibition of CDK2/Cyclin E1 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 60 to 120 mins by HTRF assay
50019836	5	ChEMBL_2338161	Inhibition of CDK9/Cyclin T1 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 60 to 120 mins by HTRF assay
50019836	6	ChEMBL_2338162	Inhibition of CDK6/Cyclin D1 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 60 to 120 mins by HTRF assay
50019837	1	ChEMBL_2338288	Inhibition of ERBB2 (unknown origin)
50019837	2	ChEMBL_2338289	Inhibition of ERBB2 (unknown origin) in human NCI-H1975 cells assessed as increase in mitochondrial ROS level incubated for 48 hrs by Western blot analysis
50019838	1	ChEMBL_2338312	Inhibition of SARS CoV-2 main protease
50019838	2	ChEMBL_2338313	Binding affinity to SARS CoV-2 main protease assessed as inhibition constant
50019840	1	ChEMBL_2338317	Inhibition of DENV-2 NS2B-NS3 protease by biochemical enzymatic assay
50019840	2	ChEMBL_2338319	Inhibition of West Nile virus NS2B-NS3 protease by biochemical enzymatic assay
50019840	3	ChEMBL_2338323	Competitive inhibition of DENV-2 NS2B-NS3 protease assessed as inhibition constant by Cheng-Prusoff plot analysis
50019840	4	ChEMBL_2338324	Inhibition of West Nile virus NS2B-NS3 protease assessed as inhibition constant
50019841	1	ChEMBL_2338330	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50019841	2	ChEMBL_2338331	Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay
50019841	3	ChEMBL_2338332	Inhibition of BRD2 BD1 (unknown origin) by TR-FRET assay
50019841	4	ChEMBL_2338333	Inhibition of BRD2 BD2 (unknown origin) by TR-FRET assay
50019842	1	ChEMBL_2338368	Binding affinity to RET (unknown origin) assessed as dissociation constant in presence of ATP by FRET based Z'-Lyte assay
50019842	2	ChEMBL_2338374	Inhibition of RET (unknown origin) by DiscoverX KINOMEscan assay
50019842	3	ChEMBL_2338375	Inhibition of RET V804M mutant (unknown origin) by DiscoverX KINOMEscan assay
50019842	4	ChEMBL_2338376	Inhibition of CSF1R (unknown origin) by DiscoverX KINOMEscan assay
50019842	5	ChEMBL_2338377	Inhibition of DDR1 (unknown origin) by DiscoverX KINOMEscan assay
50019842	6	ChEMBL_2338378	Inhibition of KIT (unknown origin) by DiscoverX KINOMEscan assay
50019842	7	ChEMBL_2338379	Inhibition of PDGFRB (unknown origin) by DiscoverX KINOMEscan assay
50019842	8	ChEMBL_2338380	Inhibition of VEGFR2 (unknown origin) by DiscoverX KINOMEscan assay
50019842	9	ChEMBL_2338381	Inhibition of EGFR (unknown origin) by DiscoverX KINOMEscan assay
50019843	1	ChEMBL_2338414	Inverse agonist activity at human RORgammat LBD (265 to 507 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 1 hr FRET assay
50019843	2	ChEMBL_2338415	Agonist activity at human RORgammat LBD (265 to 507 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 1 hr FRET assay
50019843	3	ChEMBL_2338420	Antagonist activity at human RORgammat LBD (265 to 507 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 1 hr FRET assay
50019843	4	ChEMBL_2338423	Agonist activity at Gal4-fused human RORgammat LBD expressed in HEK293T cells assessed as luciferase activity incubated for 16 to 20 hrs by luciferase reporter gene assay
50019843	5	ChEMBL_2338425	Agonist activity at human RORgammat LBD (265 to 507 residues) expressed in Escherichia coli BL21(DE3) cells assessed as transcriptional activation by luciferase reporter gene assay
50019844	1	ChEMBL_2338437	Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL21(DE3) strain using H3K4me2 peptide as substrate incubated for 30 mins by fluorescence based analysis
50019845	1	ChEMBL_2338466	Inhibition of TDO (unknown origin)
50019845	2	ChEMBL_2338467	Inhibition of human recombinant IDO1 expressed in Escherichia coli BL21 incubated for 6 hrs
50019845	3	ChEMBL_2338468	Inhibition of Kynurenine aminotransferase II (unknown origin)
50019845	4	ChEMBL_2338469	Inhibition of KMO (unknown origin)
50019845	5	ChEMBL_2338470	Binding affinity to IDO (unknown origin) assessed as inhibition constant
50019845	6	ChEMBL_2338471	Inhibition of rat KATII
50019845	7	ChEMBL_2338472	Inhibition of human recombinant KATII
50019845	8	ChEMBL_2338473	Inhibition of KATII in rat liver homogenate
50019845	9	ChEMBL_2338474	Inhibition of His-tagged recombinant human KATII
50019845	10	ChEMBL_2338475	Inhibition of human recombinant KMO
50019845	11	ChEMBL_2338476	Inhibition of rat brain KMO
50019845	12	ChEMBL_2338477	Inhibition of rat kidney KMO
50019845	13	ChEMBL_2338478	Inhibition of GST-tagged recombinant human KMO
50019845	14	ChEMBL_2338479	Inhibition of rat liver KMO
50019845	15	ChEMBL_2338480	Inhibition of His-tagged recombinant human KMO using diclofenac as substrate
50019845	16	ChEMBL_2338481	Binding affinity to human recombinant Kynureninase assessed as inhibition constant
50019845	17	ChEMBL_2338482	Binding affinity to rat Kynureninase assessed as inhibition constant
50019846	1	ChEMBL_2338503	Binding affinity to N-terminal biotin-tagged recombinant human CD99 extracellular domain (23 to 122 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance analysis
50019846	2	ChEMBL_2338505	Binding affinity to N-terminal biotin-tagged recombinant human CD99 extracellular domain (23 to 122 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate constant by surface plasmon resonance analysis
50019847	1	ChEMBL_2338545	Inhibition of human recombinant MAO-A expressed in baculovirus-infected BTI cells using kynuramine as substrate incubated for 30 mins by fluorescence based analysis
50019847	2	ChEMBL_2338546	Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI cells using kynuramine as substrate incubated for 30 mins by fluorescence based analysis
50019847	3	ChEMBL_2338570	Inhibition of electric eel AChE using acetylthiocholine chloride as substrate by Ellman's method
50019847	4	ChEMBL_2338571	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate by Ellman's method
50019848	1	ChEMBL_2338643	Inhibition of human PARP-1 by ELISA
50019848	2	ChEMBL_2338644	Inhibition of human PARP-2 by ELISA
50019849	1	ChEMBL_2338806	Inhibition of MEK1 (unknown origin)
50019849	2	ChEMBL_2338807	Inhibition of MEK1 (unknown origin) incubated for 1 hrs in the presence of ATP by FRET-based Z'-Lyte assay
50019850	1	ChEMBL_2338933	Competitive binding affinity to CCR7 in human U87 cells preincubated for 15 mins followed by CCL19 AF647 addition measured after 30 mins by flow cytometric analysis
50019852	1	ChEMBL_2338934	Inhibition of KDM5B (unknown origin)
50019854	1	ChEMBL_2339027	Agonist activity at human GPR40/Galpha-16 expressed in HEK293 cells by Fluo4-AM dye based intracellular calcium flux assay
50019855	1	ChEMBL_2339052	Inhibition of human recombinant Notum (81 to T451 residues) expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by microplate reader analysis
50019855	2	ChEMBL_2339055	Inhibition of full length human recombinant Notum (81 to T451 residues) expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by microplate reader analysis
50019856	1	ChEMBL_2339097	Inhibition of recombinant LSD1 (unknown origin) using H3K4me2 peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by amplex red based fluorescence microplate reader analysis
50019858	1	ChEMBL_2339375	Inhibition of C-terminal His-tagged SARS-CoV-2 PLpro BetaCoV/Wuhan/WIV04/2019 strain (1564 to 1876 residues) expressed in Escherichia coli BL21(DE3) using ISG-AMC substrate incubated for 3 hrs
50019858	2	ChEMBL_2339377	Inhibition of SARS-CoV-2 PLpro
50019858	3	ChEMBL_2339382	Inhibition of SARS-CoV-2 PLpro using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by fluorescence based assay
50019859	1	ChEMBL_2339391	Inhibition of COX-2 (unknown origin)
50019859	2	ChEMBL_2339394	Inhibition of soybean LOX-1 using linoleic acid as substrate
50019860	1	ChEMBL_2339401	Inhibition of N-terminal His-tagged GLS1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins and measured after 2 hrs
50019860	2	ChEMBL_2339402	Inhibition of human recombinant GLS1
50019860	3	ChEMBL_2339408	Inhibition of full length C terminal His-tagged human KGA expressed in Escherichia coli BL-21 DE3
50019860	4	ChEMBL_2339414	Inhibition of C-terminal His-tagged human recombinant KGA transformed in Escherichia coli BL21 DE3 at pH 7.4 incubated for 3 hrs
50019862	1	ChEMBL_2339423	Inhibition of HDAC in human HeLa nuclear extract measured after 30 mins by fluorescence based assay
50019864	1	ChEMBL_2339442	Inhibition of recombinant human MAO-A expressed in Sf9 cells using benzylamine as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by luciferin based luminescence analysis
50019864	2	ChEMBL_2339443	Inhibition of recombinant human MAO-B expressed in Sf9 cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by luciferin based luminescence analysis
50019865	1	ChEMBL_2339506	Inhibition of Staphylococcus aureus FosB using L-cysteine as substrate assessed as inhibition constant for initial binding event by absorbance based DTNB assay
50019865	2	ChEMBL_2339507	Competitive inhibition of Staphylococcus aureus FosB using L-cysteine as substrate assessed as inhibition constant for initial binding event by absorbance based DTNB assay
50019865	3	ChEMBL_2339508	Parabolic competitive inhibition of Staphylococcus aureus FosB using L-cysteine as substrate assessed as inhibition constant for initial binding event by absorbance based DTNB assay
50019865	4	ChEMBL_2339509	Parabolic competitive inhibition of Staphylococcus aureus FosB using L-cysteine as substrate assessed as inhibition constant for second binding event by absorbance based DTNB assay
50019868	1	ChEMBL_2339518	Inhibition of FGFR2 (unknown origin) incubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo luminescence assay
50019868	2	ChEMBL_2339519	Inhibition of FGFR1 (unknown origin) incubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo luminescence assay
50019868	3	ChEMBL_2339520	Inhibition of FGFR4 (unknown origin) incubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo luminescence assay
50019868	4	ChEMBL_2339524	Inhibition of FGFR3 (unknown origin) incubated for 10 mins followed by substrate addition measured after 60 mins by ADP-Glo luminescence assay
50019869	1	ChEMBL_2339633	Binding affinity to wild type c-MET (unknown origin) assessed as dissociation constant measured for 120 sec by SPR analysis
50019869	2	ChEMBL_2339634	Binding affinity to c-MET D1228V (unknown origin) assessed as dissociation constant measured for 120 sec by SPR analysis
50019869	3	ChEMBL_2339637	Inhibition of wild type c-MET (unknown origin) using ATP and poly(L-glutamic acid-L-tyrosine) as substrate incubated for 60 mins measured by ADP-Glo kinase assay
50019869	4	ChEMBL_2339638	Inhibition of c-MET D1228V (unknown origin) using ATP and poly(L-glutamic acid-L-tyrosine) as substrate incubated for 60 mins measured by ADP-Glo kinase assay
50019869	5	ChEMBL_2339639	Inhibition of wild type c-MET in human NCI-H1993 cells incubated for 4 hrs measured by HTRF assay
50019869	6	ChEMBL_2339640	Inhibition of c-MET D1228V in human NCI-H1993 cells incubated for 4 hrs by HTRF assay
50019870	1	ChEMBL_2339656	Inhibition of PRMT5 in human U-87 MG cells incubated for 3 days by western blot analysis
50019870	2	ChEMBL_2339657	Inhibition of PRMT5 in human U-87 MG cells assessed as suppression of sDMA level incubated for 3 days by western blot analysis
50019870	3	ChEMBL_2339658	Inhibition of PRMT5 in human Granta-519 cells assessed as suppression of sDMA level incubated for 3 days by western blot analysis
50019870	4	ChEMBL_2339659	Inhibition of PRMT5 in human U-87 MG cells incubated for 4 mins by western blot analysis
50019870	5	ChEMBL_2339661	Binding affinity to N-terminal 6xHis-tagged full length human PRMT5/MEP50 expressed in sf21 cells using S-Adenosyl-L-methionine as substrate assessed as dissociation constant incubated for 25 to 60 mins by liquid scintillation analysis
50019870	6	ChEMBL_2339662	Inhibition of PRMT5 in human A427 cells assessed as reduction in sDMA level incubated for 72 hrs by liquid scintillation analysis
50019870	7	ChEMBL_2339676	Binding affinity to Full-length human PRMT5/human MEP50 assessed as dissociation constant by SPR analysis
50019870	8	ChEMBL_2339677	Binding affinity to Full-length human PRMT5/human MEP50 assessed as equilibrium dissociation constant by SPR analysis
50019870	9	ChEMBL_2339683	Inhibition of PRMT5 (unknown origin) using H4(1-21)S1ac as substrate preincubated for 15 mins followed by substrate addition and measured for 60 mins by scintillation counting analysis
50019870	10	ChEMBL_2339687	Inhibition of PRMT5/MEP50 (unknown origin) using histone H4 peptide as substrate preincubated for 30 mins followed by substrate addition and measured for 60 mins by AlphaScreen analysis
50019870	11	ChEMBL_2339689	Inhibition of PRMT5 in human Z138 cells assessed as decrease in sDMA modification incubated for 2 days by fluorescence based assay
50019870	12	ChEMBL_2339692	Inhibition of PRMT5 (unknown origin)
50019870	13	ChEMBL_2339693	Inhibition of PRMT5 in human Z138 cells assessed as suppression of sDMA level
50019870	14	ChEMBL_2339698	Inhibition of full-length recombinant PRMT5/full-length recombinant MEP50 (unknown origin) expressed in baculovirus infected Sf21 cells using biotinylated H4R3(Mel) peptide as substrate preincubated for 60 mins followed by substrate addition and measured for 150 minutes in the presence of SAM by methylation assay
50019870	15	ChEMBL_2339699	Inhibition of PRMT5 in human MCF7 cells assessed as suppression of arginine sDMA incubated for 3 days by target engagement assay
50019870	16	ChEMBL_2339702	Binding affinity to PRMT5/MEP50 (unknown origin) using histone H4 peptide assessed as inhibition constant preincubated for 24 hrs followed by substrate addition and measured for 2 hrs in the presence of SAM by MTase-Glo Methyl Transferase Assay
50019871	1	ChEMBL_2339723	Binding affinity to human wild type ERalpha ligand binding domain
50019871	2	ChEMBL_2339724	Binding affinity to human ERalpha D538G mutant ligand binding domain
50019871	3	ChEMBL_2339725	Binding affinity to human ERalpha Y537S mutant ligand binding domain
50019871	4	ChEMBL_2339726	Induction of ERalpha degradation (unknown origin)
50019871	5	ChEMBL_2339738	Inhibition of ERalpha (246 to 595 residues) in doxycycline-induced human HEK293 cells incubated overnight by luciferase based assay
50019871	6	ChEMBL_2339739	Inhibition of ERbeta (261 to 500 residues) in doxycycline-induced human HEK293 cells incubated overnight by luciferase based assay
50019871	7	ChEMBL_2339740	Induction of ERalpha degradation in human MCF7 cells
50019871	8	ChEMBL_2339757	Induction of ERalpha degradation in human MCF7
50019871	9	ChEMBL_2339758	Binding affinity to wild type ERalpha (unknown origin)
50019871	10	ChEMBL_2339759	Binding affinity to ERalpha Y537S mutant (unknown origin)
50019871	11	ChEMBL_2339760	Induction of wild type ERalpha degradation in human MCF cells by high content imaging assay
50019871	12	ChEMBL_2339761	Induction of ERalpha Y537N mutant degradation in human MCF cells high content imaging assay
50019871	13	ChEMBL_2339766	Induction of wild type ERalpha degradation in human MCF cells by western blot assay
50019872	1	ChEMBL_2339805	Inhibition of JAK1 (unknown origin)
50019872	2	ChEMBL_2339807	Inhibition of His-tagged human recombinant JAK3 (781 to 1124 residues) expressed in Sf9 cells
50019872	3	ChEMBL_2339809	Inhibition of PI3Kalpha (unknown origin) in human SK-OV-3 cells
50019873	1	ChEMBL_2339826	Binding affinity at Caspase 6 (1 to 293) C163A mutant (unknown origin) expressed in Escherichia coli BL21-Gold (DE3) by SPR response measured
50019873	2	ChEMBL_2339828	Inhibition of Caspase 6 (1 to 293) C163A mutant (unknown origin) expressed in Escherichia coli BL21-Gold (DE3) assessed as time-resolved luminescence by QRET assay
50019874	1	ChEMBL_2339829	Inhibition of human recombinant AKR1C2 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay
50019874	2	ChEMBL_2339830	Inhibition of human recombinant AKR1C3 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay
50019874	3	ChEMBL_2339832	Inhibition of human recombinant AKR1C1 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay
50019874	4	ChEMBL_2339833	Inhibition of human recombinant AKR1C4 transfected in Escherichia coli BL21 (DE3) pLysS competent cells using S-tetralol as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins by fluorescence microplate reader assay
50019874	5	ChEMBL_2339834	Inhibition of AKR1B1 (unknown origin) transfected in Escherichia coli BL21 (DE3) pLysS competent cells using pyridine-3-aldehyde as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins
50019874	6	ChEMBL_2339835	Inhibition of AKR1B10 (unknown origin) transfected in Escherichia coli BL21 (DE3) pLysS competent cells using pyridine-3-aldehyde as substrate assessed as inhibition of NADP+ dependent substrate oxidation incubated for 10 mins
50019874	7	ChEMBL_2339841	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 5 mins by fluorescence based analysis
50019874	8	ChEMBL_2339842	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate pretreated for 10 mins followed by substrate addition and measured after 5 mins by fluorescence based analysis
50019875	1	ChEMBL_2339959	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 20 degreeC by isothermal titration calorimetry analysis
50019875	2	ChEMBL_2339964	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 37 degreeC by isothermal titration calorimetry analysis
50019875	3	ChEMBL_2339968	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 20 degreeC by direct titration based isothermal titration calorimetry analysis
50019875	4	ChEMBL_2339969	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 37 degreeC by direct titration based isothermal titration calorimetry analysis
50019875	5	ChEMBL_2339974	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 20 degreeC by reverse titration based isothermal titration calorimetry analysis
50019875	6	ChEMBL_2339975	Binding affinity to human VEGF (13 to 107 residues) expressed in Escherichia coli Rosetta (DE3) cells assessed as dissociation constant at 37 degreeC by reverse titration based isothermal titration calorimetry analysis
50019876	1	ChEMBL_2339982	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant by liquid scintillation counter analysis
50019876	2	ChEMBL_2339983	Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably expressed in HEK293 cells assessed as inhibition constant by competitive binding based radioligand depletion assay
50019876	3	ChEMBL_2339984	Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver assessed as inhibition constant by liquid scintillation counter analysis
50019876	4	ChEMBL_2339986	Displacement of [3H] mepyramine from human FLAG-tagged histamine H1 receptor stably expressed in HEK293T cells assessed as inhibition constant by competitive binding based radioligand depletion assay
50019876	5	ChEMBL_2339987	Displacement of [3H]UR-DE257 from human FLAG-tagged histamine H2 receptor stably expressed in HEK293T cells assessed as inhibition constant by competitive binding based radioligand depletion assay
50019876	6	ChEMBL_2339988	Displacement of [3H]UR-PI294 from human FLAG-tagged histamine H4 receptor stably expressed in HEK293T cells assessed as inhibition constant by competitive binding based radioligand depletion assay
50019877	1	ChEMBL_2340044	Inhibition of FTO (unknown origin)
50019877	2	ChEMBL_2340054	Inhibition of FTO (unknown origin) using (5'-AUUGUCA(M6A)CAGCAGC-3') as substrate incubated for 2 hrs by dot-blot assay
50019877	3	ChEMBL_2340055	Inhibition of FTO (unknown origin) by PAGE based assay
50019878	1	ChEMBL_2340083	Agonist activity at GST-tagged human FXR-LBD in presence of luorescein-SRC2-2 coactivator peptide by TR-FRET assay
50019878	2	ChEMBL_2340084	Agonist activity at human GAL4-FXR-LBD expressed in HEK293T cells assessed as transcriptional activity measured after 16 to 20 hrs by luciferase reporter gene assay
50019879	1	ChEMBL_2340138	Inhibition of SLC13A5 in human hepatocyte cells assessed as reduction in citrate uptake
50019879	2	ChEMBL_2340139	Inhibition of SLC13A5 in human HepG2 cells assessed as reduction in citrate uptake
50019879	3	ChEMBL_2340140	Inhibition of recombinant human SLC13A5 in HEK293T cells
50019879	4	ChEMBL_2340141	Inhibition of human SLC13A3 in HepG2 cells by measuring citrus uptake
50019879	5	ChEMBL_2340144	Binding affinity to human SLC25A1 assessed as dissociation constant
50019879	6	ChEMBL_2340146	Binding affinity to human SLC25A1 assessed as inhibition constant
50019879	7	ChEMBL_2340147	Binding affinity to rat liver ACLY assessed as inhibition constant
50019879	8	ChEMBL_2340148	Inhibition of ACLY (unknown origin)
50019879	9	ChEMBL_2340149	Binding affinity to ACLY (unknown origin) assessed as inhibition constant
50019879	10	ChEMBL_2340150	Binding affinity to ACLY (unknown origin) assessed as dissociation constant
50019879	11	ChEMBL_2340152	Inhibition of human ACLY
50019879	12	ChEMBL_2340154	Inhibition of rat liver ACLY incubated for 15 to 60 mins
50019879	13	ChEMBL_2340155	Binding affinity to rat liver ACLY assessed as inhibition constant measured after 15 to 60 mins
50019879	14	ChEMBL_2340157	Inhibition of rat ACLY
50019879	15	ChEMBL_2340158	Reversible binding affinity to rat ACLY
50019879	16	ChEMBL_2340159	Binding affinity to rat ACLY assessed as inhibition constant measured after 20 mins
50019879	17	ChEMBL_2340160	Inhibition of human recombinant ACLY by ADP-Glo assay
50019880	1	ChEMBL_2340186	Inhibition of Aurora A (unknown origin) incubated for 1 hr by microplate reader analysis
50019881	1	ChEMBL_2340190	Inhibition of AKR1C3 (unknown origin)
50019881	2	ChEMBL_2340191	Inhibition of human AKR1C3
50019881	3	ChEMBL_2340192	Inhibition of recombinant AKR1C3 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometry
50019881	4	ChEMBL_2340193	Inhibition of recombinant AKR1C1 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometry
50019881	5	ChEMBL_2340194	Inhibition of recombinant AKR1C2 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometry
50019881	6	ChEMBL_2340195	Inhibition of recombinant AKR1C4 (unknown origin) dehydrogenase activity by measuring NADH formation by spectrophotometry
50019882	1	ChEMBL_2340223	Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate incubated for 15 mins followed by substrate addition by fluorescence based analysis
50019882	2	ChEMBL_2340224	Inhibition of human ACE (30 to 1261 residues) using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis
50019882	3	ChEMBL_2340225	Binding affinity to human ACE2 assessed as inhibition constant by surface plasmon resonance analysis
50019882	4	ChEMBL_2340226	Binding affinity to human ACE2 assessed as binding constant by surface plasmon resonance analysis
50019882	5	ChEMBL_2340227	Binding affinity to human ACE assessed as binding constant by surface plasmon resonance analysis
50019882	6	ChEMBL_2340228	Binding affinity to human ACE2 assessed as dissociation constant by surface plasmon resonance analysis
50019882	7	ChEMBL_2340232	Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate at 25 degreeC incubated for 24 hrs with enzyme followed by substrate addition by fluorescence based analysis
50019882	8	ChEMBL_2340233	Inhibition of human ACE2 (18 to 740 residues) using Mca-APK(Dnp) as substrate at 25 degreeC incubated for 0.25 hrs with enzyme followed by substrate addition by fluorescence based analysis
50019883	1	ChEMBL_2340254	Inhibition of ATM (unknown origin) preincubated with compound for 30 mins followed by substrate addition and measured after 2 hrs by HTRF method
50019883	2	ChEMBL_2340313	Inhibition of DNA-PK (unknown origin) in presence of [gamma33P-ATP] by scintillation counting method
50019883	3	ChEMBL_2340345	Inhibition of ATM (unknown origin) by ELISA method
50019883	4	ChEMBL_2340346	Inhibition of ATM (unknown origin)
50019883	5	ChEMBL_2340347	Inhibition of human mTORC1 incubated for 90 mins by Lanthascreen time-resolved FRET assay
50019883	6	ChEMBL_2340348	Inhibition of ATR in human HCT-116 cells measured after 1 hr by Bradford assay
50019883	7	ChEMBL_2340350	Inhibition of DNA-PK in human HCT-116 cells measured after 1 hr by Bradford assay
50019883	8	ChEMBL_2340351	Inhibition of mTOR (unknown origin)
50019883	9	ChEMBL_2340352	Inhibition of flag tagged- ATM (unknown origin) expressed in Escherichia coli BL21 incubated for 20 mins in presence of ATP
50019883	10	ChEMBL_2340353	Inhibition of flag tagged- ATR (unknown origin) expressed in Escherichia coli BL21 incubated for 20 mins in presence of ATP
50019883	11	ChEMBL_2340354	Inhibition of DNA-PK (unknown origin)
50019883	12	ChEMBL_2340355	Inhibition of PIK3alpha (unknown origin)
50019884	1	ChEMBL_2340357	Binding affinity to 6x-His-TEV-tagged human MDM2 (17 to 111 residues) assessed as dissociation constant by SPR analysis
50019884	2	ChEMBL_2340360	Binding affinity to 6x-His-TEV-tagged human MDM2 (17 to 111 residues) assessed as inhibition constant by SPR analysis
50019884	3	ChEMBL_2340361	Binding affinity to 6x-His-TEV-tagged human MDMX (15 to 111 residues) assessed as inhibition constant by SPR analysis
50019884	4	ChEMBL_2340363	Binding affinity to 6x-His-TEV-tagged human MDMX (15 to 111 residues) assessed as dissociation constant by SPR analysis
50019885	1	ChEMBL_2340471	Corrector activity at CFTR F508del mutant in human CFBE41o- cells coexpressing HS-YFP incubated for 25 mins by microplate reader based analysis
50019885	2	ChEMBL_2340472	Corrector activity at CFTR F508del mutant in human CFBE41o- cells incubated for 25 mins by microplate reader based analysis
50019886	1	ChEMBL_2340706	Binding affinity to TG2 (unknown origin) assessed as dissociation constant at 30 degree C by isothermal titration calorimetry
50019887	1	ChEMBL_2340728	Agonist activity at human STING expressed in human THP-1 cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production incubated for 24 hrs by QUANTI-Blue colorimetric assay
50019887	2	ChEMBL_2340729	Agonist activity at human wild type STING overexpressed in STING knockout human THP1-Blue ISG cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production by measuring SEAP activity incubated for 24 hrs by Fingerprinting based QUANTI-Blue colorimetric assay
50019887	3	ChEMBL_2340734	Agonist activity at human STING in STING knockout human THP1-Blue ISG cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production by measuring SEAP activity incubated for 24 hrs by Fingerprinting based QUANTI-Blue colorimetric assay
50019887	4	ChEMBL_2340735	Agonist activity at human STING expressed in mouse RAW cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production incubated for 24 hrs by QUANTI-Blue colorimetric assay
50019887	5	ChEMBL_2340736	Binding affinity to recombinant human wild type STING (155 to 341 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by Isothermal titration calorimetry analysis
50019887	6	ChEMBL_2340737	Binding affinity to recombinant human Avi-tagged wild type STING (149 to 379 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by Surface plasmon resonance analysis
50019888	1	ChEMBL_2340773	Displacement of [3H]-N-methylspiperone from human dopmaine D2L receptor expressed in CHO cell membrane assessed as inhibition constant by competition binding assay
50019888	2	ChEMBL_2340774	Displacement of [3H]-N-methylspiperone from human dopmaine D2S receptor expressed in CHO cell membrane assessed as inhibition constant by competition binding assay
50019888	3	ChEMBL_2340775	Displacement of [3H]-N-methylspiperone from human dopmaine D3 receptor expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	4	ChEMBL_2340776	Displacement of [3H]-N-methylspiperone from human dopmaine D4.4 receptor expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	5	ChEMBL_2340780	Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	6	ChEMBL_2340781	Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	7	ChEMBL_2340782	Displacement of [3H]prazosin from adrenergic alpha 1A receptor (unknown origin) expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	8	ChEMBL_2340783	Displacement of [3H]RX821002 from adrenergic alpha 2A receptor (unknown origin) expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	9	ChEMBL_2340784	Displacement of [3H]WAY600135 from 5-HT1A receptor (unknown origin) expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	10	ChEMBL_2340785	Displacement of [3H]ketanserin from 5-HT2A receptor (unknown origin) expressed in HEK293T cells assessed as inhibition constant by competition binding assay
50019888	11	ChEMBL_2340806	Binding affinity to dopamine D4 receptor (unknown origin) assessed as inhibition constant
50019889	1	ChEMBL_2340856	Inhibition of GPX4 (unknown origin) incubated for 1 hrs in presence of glutathione and glutathione reductase by microplate reader analysis
50019889	2	ChEMBL_2340880	Covalent inhibition of GPX4 (unknown origin) assessed as inhibition constant incubated for 30 to 90 mins in presence of glutathione, glutathione reductase and NADPH by microplate reader analysis
50019891	1	ChEMBL_2340944	Inhibition of N-terminal GST-tagged human full length recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 cells using Boc-Lys(acetyI)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	2	ChEMBL_2340945	Inhibition of C-terminal FLAG-tagged human full length recombinant HDAC2 (1 to 488 residues) expressed in Sf9 cells using Boc-Lys(acetyI)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	3	ChEMBL_2340971	Inhibition of C-terminal His/FLAG-tagged human full length recombinant HDAC1 (1 to 482 residues) expressed in Sf9 cells using Boc-Lys(acetyI)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	4	ChEMBL_2340972	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST-tagged human NCOR2 (395 to 489 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys(acetyI)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	5	ChEMBL_2340973	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys(trifluoroacety1)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	6	ChEMBL_2340974	Inhibition of C-terminal His-tagged human recombinant HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys(trifluoroacety1)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	7	ChEMBL_2340975	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys(trifluoroacety1)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	8	ChEMBL_2340976	Inhibition of C-terminal His-tagged human full length recombinant HDAC8 (1 to 377 residues) expressed in Sf9 cells using Boc-Lys(trifluoroacety1)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	9	ChEMBL_2340977	Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baclovirus-infected Sf9 cells using Boc-Lys(trifluoroacety1)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	10	ChEMBL_2340978	Inhibition of N-terminal FLAG-tagged human recombinant HDAC10 (2 to 631 residues) expressed in baculovirus-infected Sf9 cells using Acetyl-Arg-His-Lys(acety1)-Lys-(acety1)-AMC as substrate peincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019891	11	ChEMBL_2340979	Inhibition of human full length recombinant HDAC11 (1 to 347 residues) expressed in Sf9 cells using acetyl-ETDKmyr-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50019892	1	ChEMBL_2341038	Inhibition of human HDAC1 expressed in baculovirus expression system in Sf9 cells using RHKKAc (379 to 382 residues) fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	2	ChEMBL_2341039	Inhibition of human HDAC6 expressed in baculovirus expression system in Sf9 cells using RHKKAc (379 to 382 residues) fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	3	ChEMBL_2341040	Inhibition of human HDAC8 expressed in baculovirus expression system in Sf9 cells using RHKAcKAc (379 to 382 residues) fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	4	ChEMBL_2341088	Inhibition of human HDAC2 expressed in baculovirus expression system in Sf9 cells using RHKKAc (379 to 382 residues) fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	5	ChEMBL_2341089	Inhibition of human HDAC3 expressed in baculovirus expression system in Sf9 cells using RHKKAc (379 to 382 residues) fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	6	ChEMBL_2341090	Inhibition of human HDAC4 expressed in baculovirus expression system in Sf9 cells using Boc-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	7	ChEMBL_2341091	Inhibition of human HDAC5 expressed in baculovirus expression system in Sf9 cells using Boc-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	8	ChEMBL_2341093	Inhibition of human HDAC7 expressed in baculovirus expression system in Sf9 cells using Boc-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	9	ChEMBL_2341094	Inhibition of human HDAC9 expressed in baculovirus expression system in Sf9 cells using Boc-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019892	10	ChEMBL_2341095	Inhibition of human HDAC11 expressed in baculovirus expression system in Sf9 cells using Boc-Lys(trifluoroacetyl)-AMC fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50019894	1	ChEMBL_2341097	Antagonist activity at rat alpha9alpha10 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	2	ChEMBL_2341098	Antagonist activity at human alpha9alpha10 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	3	ChEMBL_2341100	Antagonist activity at rat alpha7 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	4	ChEMBL_2341102	Antagonist activity at mouse alpha1beta1deltaepsilon nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	5	ChEMBL_2341107	Antagonist activity at rat alpha3beta2 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	6	ChEMBL_2341108	Antagonist activity at rat alpha3beta4 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	7	ChEMBL_2341109	Antagonist activity at rat alpha6/alpha3beta4 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	8	ChEMBL_2341110	Antagonist activity at rat alpha2beta2 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	9	ChEMBL_2341111	Antagonist activity at rat alpha4beta2 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	10	ChEMBL_2341112	Antagonist activity at rat alpha2beta4 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019894	11	ChEMBL_2341113	Antagonist activity at rat alpha4beta4 nACh receptor expressed in Xenopus oocyte assessed as inhibition of acetylcholine-induced response at -70 mV holding potential by voltage-clamp based electrophysiological assay
50019895	1	ChEMBL_2341192	Inhibition of BRD4 BD1 (unknown origin)
50019895	2	ChEMBL_2341193	Inhibition of BRD4 BD2 (unknown origin)
50019895	3	ChEMBL_2341195	Inhibition of his6-tagged BRD4 BD1 (unknown origin) (1 to 477 residues) assessed as inhibition constant incubated for 30 mins by TR-FRET assay
50019895	4	ChEMBL_2341196	Inhibition of his6-tagged BRD4 BD2 (unknown origin) (1 to 477 residues) assessed as inhibition constant incubated for 30 mins by TR-FRET assay
50019895	5	ChEMBL_2341199	Inhibition of N-terminal his-tagged human recombinant BRD4 BD1 (44 to 460 residues) expressed in Escherichia coli using biotinylated H4K5acK8acK12acK16ac peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen analysis
50019895	6	ChEMBL_2341200	Inhibition of N-terminal his-tagged human recombinant BRD4 BD2 (44 to 460 residues) expressed in Escherichia coli using biotinylated H4K5acK8acK12acK16ac peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen analysis
50019895	7	ChEMBL_2341228	Inhibition of N-terminal his-tagged human recombinant BRD2 BD1 (2 to 473 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	8	ChEMBL_2341229	Inhibition of N-terminal his-tagged human recombinant BRD2 BD2 (2 to 473 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	9	ChEMBL_2341230	Inhibition of N-terminal his-tagged human recombinant BRD3 BD1 (1 to 434 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	10	ChEMBL_2341231	Inhibition of N-terminal his-tagged human recombinant BRD3 BD2 (1 to 434 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	11	ChEMBL_2341232	Inhibition of N-terminal his-tagged human recombinant BRD4 BD1 (44 to 460 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	12	ChEMBL_2341233	Inhibition of N-terminal his-tagged human recombinant BRD4 BD2 (44 to 460 residues) expressed in Escherichia coli by AlphaScreen assay
50019895	13	ChEMBL_2341234	Inhibition of N-terminal his-tagged human recombinant BRDT BD1 (21 to 383 residues) expressed in Escherichia coli by AlphaScreen assay
50019896	1	ChEMBL_2341287	Inhibition of GST-tagged PD-1 (unknown origin)/His-tagged PD-L1 (unknown origin) interaction by HTRF binding assay relative to control
50019896	2	ChEMBL_2341288	Binding affinity to human PD-L1 assessed as dissociation constant by SPR analysis
50019896	3	ChEMBL_2341289	Binding affinity to mouse PD-L1 assessed as dissociation constant by SPR analysis
50019896	4	ChEMBL_2341290	Binding affinity to mouse PD-L1 assessed as dissociation constant by MST analysis
50019896	5	ChEMBL_2341298	Inhibition of interaction of PD-1 (unknown origin) expressed in Jurkat T cells carrying luciferase reporter under the control of NFAT promoter/PD-L1 (unknown origin) expressed in CHO cells co-expressing TCR ligand and T-cell surrogate pretreated with CHO cells for 0.5 hrs followed by Jurkat T cell addition and measured after 5 hrs by luminescence based analysis
50019896	6	ChEMBL_2341374	Inhibition of PD-1 (unknown origin)/PD-L1 (unknown origin) interaction by HTRF binding assay
50019897	1	ChEMBL_2341418	Inhibition of human recombinant HDAC1 using fluorogenic Boc-Lys (aetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by measuring fluorescence intensity using multimode microplate reader
50019897	2	ChEMBL_2341423	Inhibition of HDAC2 (unknown origin)
50019897	3	ChEMBL_2341424	Inhibition of HDAC3 (unknown origin)
50019897	4	ChEMBL_2341425	Inhibition of HDAC8 (unknown origin)
50019897	5	ChEMBL_2341426	Inhibition of HDAC4 (unknown origin)
50019897	6	ChEMBL_2341427	Inhibition of HDAC6 (unknown origin)
50019897	7	ChEMBL_2341428	Inhibition of HDAC11 (unknown origin)
50019898	1	ChEMBL_2341556	Inhibition of human VEGFR-2 by ELISA
50019898	2	ChEMBL_2341557	Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50019898	3	ChEMBL_2341558	Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50019898	4	ChEMBL_2341559	Inhibition of recombinant human carbonic anhydrase 4 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50019898	5	ChEMBL_2341560	Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay
50019898	6	ChEMBL_2341621	Inhibition of VEGFR-2 (unknown origin) incubated for 45 mins by ELISA
50019899	1	ChEMBL_2341712	Inhibition of full length BRD4 (unknown origin) transfected in HEK293 cells incubated for 20 hrs measured by NanoBRET BRD4/Histone H3.3 interaction assay kit
50019900	1	ChEMBL_2341777	Inhibition of human AT1R expressed in HEK293 cells using luciferase as substrate incubated for 1 hr followed by addition of angiotensinII and substrate by BRET assay
50019901	1	ChEMBL_2341872	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by DTNB-reagent based Ellman's colorimetric assay
50019901	2	ChEMBL_2341873	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by DTNB-reagent based Ellman's colorimetric assay
50019901	3	ChEMBL_2341885	Binding affinity to human BChE assessed as dissociation constant by Surface Plasmon Resonance assay
50019902	1	ChEMBL_2341968	Inhibition of recombinant human LSD1 using fluorometric substrate by HRP based fluorimeter microplate reader assay
50019902	2	ChEMBL_2341975	Inhibition of recombinant MAO-A (unknown origin) incubated for 60 mins by luminescence based flow cytometry
50019902	3	ChEMBL_2341976	Inhibition of recombinant MAO-B (unknown origin) incubated for 60 mins by luminescence based flow cytometry
50019902	4	ChEMBL_2342004	Inhibition of LSD1 (unknown origin) assessed as inhibition constant using H3K4me2 as substrate by Lineweaver-Burk plot analysis
50019903	1	ChEMBL_2342029	Inhibition of human MAO-A using p-tyramine as substrate incubated for 15 mins by Amplex red and horseradish peroxidase based fluorescence assay
50019903	2	ChEMBL_2342030	Inhibition of human MAO-B using p-tyramine as substrate incubated for 15 mins by Amplex red and horseradish peroxidase based fluorescence assay
50019906	1	ChEMBL_2342061	Inhibition of Plasmodium falciparum recombinant His-tagged falcipain-2 expressed in Escherichia coli assessed as inhibition constant using Cbz-Phe-Arg-AMC as substrate by fluorescence spectrophotometer assay
50019907	1	ChEMBL_2342137	Inhibition of Hsp90 (unknown origin) by TR-FRET assay
50019907	2	ChEMBL_2342138	Inhibition of mTOR (unknown origin) by kinase profiling assay
50019907	3	ChEMBL_2342139	Inhibition of PI3Kalpha (unknown origin) by kinase profiling assay
50019908	1	ChEMBL_2342251	Non-competitive inhibition of Escherichia coli beta-glucuronidase assessed as reduction of p-nitrophenol release using beta-PNPG as substrate incubated for 30 mins by Spectra max microplate reader analysis
50019908	2	ChEMBL_2342252	Non-competitive inhibition of Escherichia coli beta-glucuronidase assessed as inhibition constant using beta-PNPG as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50019908	3	ChEMBL_2342254	Inhibition of Escherichia coli beta-glucuronidase assessed as reduction of p-nitrophenol release using beta-PNPG as substrate incubated for 30 mins by Spectra max microplate reader analysis
50019908	4	ChEMBL_2342255	Inhibition of Escherichia coli beta-glucuronidase assessed as inhibition constant using beta-PNPG as substrate incubated for 30 mins by Lineweaver-Burk plot analysis
50019909	1	ChEMBL_2342264	Inhibition of human URAT1 stably overexpressing in human HEK293 cells assessed as inhibition of 14C-uric acid uptake preincubated for 30 mins followed by substrate addition and measured after 15 mins using 14C-uric acid as substrate by liquid scintillation counting analysis
50019909	2	ChEMBL_2342265	Inhibition of mouse GLUT9 transfected in human HEK293 cells assessed as inhibition of uric acid induced current by cell patch-clamp assay
50019909	3	ChEMBL_2342266	Inhibition of OAT1 (unknown origin) transfected in HEK293 cells assessed as inhibition of 6-CFL uptake preincubated for 30 mins followed by 6-CFL addition and measured for 15 mins by fluorescence based microplate reader analysis
50019909	4	ChEMBL_2342267	Inhibition of ABCG2 (unknown origin) transfected in HEK293 cell membrane vesicle assessed as inhibition of 14C-uric acid uptake incubated for 15 mins in presence of ATP by liquid scintillation counter analysis
50019910	1	ChEMBL_2342326	Inhibition of electric eel AChE using acetylthiocholine iodine as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by DTNB reagent based Ellman's method
50019910	2	ChEMBL_2342327	Inhibition of GSK-3beta (unknown origin)
50019910	3	ChEMBL_2342328	Inhibition of BACE1 (unknown origin)
50019910	4	ChEMBL_2342329	Inhibition of equine serum BuChE using butylthiocholine iodine as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by DTNB reagent based Ellman's method
50019910	5	ChEMBL_2342331	Competitive inhibition of electric eel AChE assessed as dissociation constant using acetylthiocholine as substrate by Lineweaver-Burk plot analysis
50019910	6	ChEMBL_2342334	Inhibition of recombinant human BACE1 using fluorogenic polypeptide Mca-SEVNLDAEFRK(Dpn)RRNH2 as substrate incubated for 60 mins by FRET assay
50019911	1	ChEMBL_2342342	Inhibition of mouse brain mitochondrial MAO using kynuramine as substrate incubated for 15 mins measured fluorometric analysis
50019913	1	ChEMBL_2342385	Inhibition of N-terminal His-tagged human DNMT3A (623 to 912 residues)/N-terminal GST-tagged human DNMT3L (160 to 387 residues) co-expressed in baculovirus infected Sf9 cells assessed as DNA methylation using DNA oligonucleotide IDT-01 as substrate preincubated for 15 mins followed by substrate addition in presence of [3H]-SAM and measured after 4 hrs by radioactive methylation assay
50019913	2	ChEMBL_2342388	Inhibition of N-terminal GST-tagged full-length recombinant human DNMT1 assessed as DNA methylation using pdI-pdC DNA as substrate preincubated for 15 mins followed by substrate addition in presence of [3H]-SAM and measured after 150 mins by radioactive methylation assay
50019913	3	ChEMBL_2342390	Inhibition of N-terminal His-tagged human DNMT3B (564 to 853 residues)/N-terminal GST-tagged human DNMT3L (160 to 387 residues) co-expressed in baculovirus infected Sf9 cells assessed as DNA methylation using DNA oligonucleotide IDT-01 as substrate preincubated for 15 mins followed by substrate addition in presence of [3H]-SAM and measured after 4 hrs by radioactive methylation assay
50019913	4	ChEMBL_2342392	Inhibition of N-terminal GST-tagged human G9a expressed in baculovirus infected Sf9 cells using biotinylated histone H3 peptide as substrate preincubated for 15 mins followed by substrate addition in presence of SAM and measured after 60 mins by AlphaLISA assay
50019919	1	ChEMBL_2342416	Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 30 mins by spectrophotometric assay
50019919	2	ChEMBL_2342417	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	3	ChEMBL_2342418	Inhibition of recombinant human MAO-A using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	4	ChEMBL_2342419	Inhibition of human MAO-B using p-tyramine as substrate incubated for 15 mins by horseradish peroxidase based fluorescence microplate reader analysis
50019919	5	ChEMBL_2342420	Inhibition of recombinant human MAO-A using tyramine as substrate incubated for 60 mins by Ampliflu red reagent and horseradish peroxidase based fluorometric analysis
50019919	6	ChEMBL_2342421	Competitive inhibition of recombinant human MAO-A using tyramine hydrochloride as substrate by Ampliflu red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50019919	7	ChEMBL_2342422	Inhibition of rat brain mitochondria MAO-B using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	8	ChEMBL_2342423	Inhibition of human MAO-B using p-tyramine as substrate incubated for 10 mins by Amplex Red reagent and horseradish peroxidase based fluorescence analysis
50019919	9	ChEMBL_2342424	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 1 hr by Amplex Red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50019919	10	ChEMBL_2342425	Reversible inhibition of recombinant human MAO-B incubated for 30 mins by dilution assay
50019919	11	ChEMBL_2342426	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 20 mins by fluorescence based assay
50019919	12	ChEMBL_2342427	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence based assay
50019919	13	ChEMBL_2342429	Inhibition of recombinant human MAO-A assessed as inhibition constant by Lineweaver-Burk plot analysis
50019919	14	ChEMBL_2342430	Inhibition of MAO-B (unknown origin) using p-tyramine as substrate incubated for 60 mins by Ampliflu red reagent and horseradish peroxidase based fluorometric analysis
50019919	15	ChEMBL_2342431	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 45 mins by Amplex Red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50019919	16	ChEMBL_2342432	Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 15 mins by spectrophotometric assay
50019919	17	ChEMBL_2342433	Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated for 60 mins by Amplex Red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50019919	18	ChEMBL_2342434	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 30 mins by fluorimetric analysis
50019919	19	ChEMBL_2342435	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 30 mins by fluorimetric analysis
50019919	20	ChEMBL_2342436	Inhibition of recombinant human MAO-A using kynuramine as substrate incubated for 30 mins by spectrophotometric assay
50019919	21	ChEMBL_2342437	Inhibition of rat brain mitochondria MAO-B using benzylamine as substrate incubated for 30 mins by fluorescence microplate reader analysis
50019919	22	ChEMBL_2342438	Inhibition of human MAO-A
50019919	23	ChEMBL_2342440	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	24	ChEMBL_2342441	Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	25	ChEMBL_2342442	Inhibition of recombinant human MAO-A assessed as inhibition constant incubated for 60 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	26	ChEMBL_2342443	Inhibition of recombinant human MAO-B using kynuramine as substrate assessed as inhibition constant incubated for 20 mins by spectrophotometric assay
50019919	27	ChEMBL_2342444	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 30 mins by spectrophotometric assay
50019919	28	ChEMBL_2342445	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by spectrophotometric assay
50019919	29	ChEMBL_2342446	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by spectramax fluorescence microplate reader analysis
50019919	30	ChEMBL_2342447	Inhibition of recombinant human MAO-A using p-tyramine as substrate incubated for 45 mins by Amplex Red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50019919	31	ChEMBL_2342450	Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorometric analysis
50019919	32	ChEMBL_2342451	Reversible inhibition of recombinant human MAO-B assessed as inhibition constant incubated for 30 mins by dilution assay
50019921	1	ChEMBL_2342477	Inhibition of wildtype full length LRRK2 (unknown origin)
50019921	2	ChEMBL_2342478	Inhibition of LRRK2 G2019S mutant (unknown origin)
50019921	3	ChEMBL_2342479	Inhibition of wildtype full length LRRK2 in HEK293 cells
50019921	4	ChEMBL_2342480	Inhibition of LRRK2 G2019S mutant in HEK293 cells
50019922	1	ChEMBL_2342505	Inhibition of CDK1 (unknown origin)
50019922	2	ChEMBL_2342506	Inhibition of CDK2 (unknown origin)
50019922	3	ChEMBL_2342507	Inhibition of CDK5 (unknown origin)
50019922	4	ChEMBL_2342508	Inhibition of CDK9 (unknown origin)
50019922	5	ChEMBL_2342509	Inhibition of human full length CDK2/CyclinA2 by ADP-Glo kinase assay
50019922	6	ChEMBL_2342510	Inhibition of CDK9/CyclinT1 (unknown origin) by ADP-Glo kinase assay
50019922	7	ChEMBL_2342515	Inhibition of electric eel AChE using acetylthiocholine iodine as substrate for 20 mins by Ellman's method
50019922	8	ChEMBL_2342516	Inhibition of equine serum BuChE using butyl thiocholine iodine as substrate for 20 mins by Ellman's method
50019923	1	ChEMBL_2342582	Inhibition of human GRK2
50019923	2	ChEMBL_2342583	Inhibition of C-terminal his6-tagged human GRK1
50019923	3	ChEMBL_2342584	Inhibition of C-terminal his6-tagged human GRK5
50019923	4	ChEMBL_2342585	Inhibition of GRK2 (unknown origin)
50019923	5	ChEMBL_2342586	Inhibition of human PKAC-alpha
50019923	6	ChEMBL_2342587	Inhibition of GRK2 (unknown origin) using CRRREEEEESAAA as substrate measured for 120 mins in presence of ATP by ADP-glo assay
50019923	7	ChEMBL_2342588	Inhibition of GRK2 (unknown origin) measured for 4 hrs
50019923	8	ChEMBL_2342589	Time dependent inhibition of GRK5 (unknown origin)
50019923	9	ChEMBL_2342590	Inhibition of GRK1 (unknown origin)
50019923	10	ChEMBL_2342591	Inhibition of GRK5 (unknown origin)
50019923	11	ChEMBL_2342592	Inhibition of mouse GRK5
50019926	1	ChEMBL_2342615	Inhibition of ZIKV NS5 MTase activity assessed as methyltransferase reaction using capped RNA substrate pre-incubated for 2.5 hrs followed by enzyme addition measured after 1 hrs by luminometer
50019927	1	ChEMBL_2342617	Inhibition of GLS1 (unknown origin)
50019927	2	ChEMBL_2342619	Inhibition of GLS2 (unknown origin)
50019928	1	ChEMBL_2342745	Inhibition of human topoisomerase 2-alpha using pBR322 DNA as substrate incubated for 30 mins in presence of 0.5 to 5 mM ATP (Rvb = 3.4 microM)
50019928	2	ChEMBL_2342746	Inhibition of human topoisomerase 2-alpha using pBR322 DNA as substrate incubated for 30 mins in presence of 0.5 to 5 mM ATP (Rvb = 2.9 microM)
50019928	3	ChEMBL_2342801	Inhibition of human topoisomerase 2-alpha assessed as reduction in relaxation of pBR322 DNA measured after 30 mins by agarose gel electrophoresis method
50019928	4	ChEMBL_2342802	Inhibition of human topoisomerase 2-beta assessed as reduction in relaxation of pBR322 DNA measured after 30 mins by agarose gel electrophoresis method
50019929	1	ChEMBL_2342823	Inhibition of human Cav3.2 T-type Ca2+ channel expressed in HEK293 cells assessed as effect on T-currents in response to -20 mV test pulse at -80 mV holding potential by whole cell patch-clamp assay
50019929	2	ChEMBL_2342824	Inhibition of human Cav3.2 T-type Ca2+ channel expressed in HEK293 cells assessed as effect on T-currents in response to -20 mV test pulse at -110 mV holding potential by whole cell patch-clamp assay
50019929	3	ChEMBL_2342825	Inhibition of human Cav3.1 T-type Ca2+ channel expressed in HEK293 cells assessed as effect on T-currents in response to -20 mV test pulse at -80 mV holding potential by whole cell patch-clamp assay
50019929	4	ChEMBL_2342827	Binding affinity to dopamine D2 receptor (unknown origin) assessed as inhibition constant
50019929	5	ChEMBL_2342828	Binding affinity to human dopamine D3 receptor expressed in CHO cells assessed as inhibition constant
50019929	6	ChEMBL_2342829	Binding affinity to dopamine D1 receptor (unknown origin) assessed as inhibition constant
50019929	7	ChEMBL_2342831	Antagonist activity at 5-HT2 receptor (unknown origin)
50019931	1	ChEMBL_2342895	Displacement of [3H]-Diprenorphine from human MOR receptor expressed in CHO-K1 cells assessed as inhibition constant measured for 1 hr by liquid scintillation counter analysis
50019931	2	ChEMBL_2342896	Displacement of [3H]-Diprenorphine from human DOR receptor expressed in CHO-K1 cells assessed as inhibition constant measured for 1 hr by liquid scintillation counter analysis
50019931	3	ChEMBL_2342897	Displacement of [3H]-Nociceptin from human NOP receptor expressed in CHO-K1 cells assessed as inhibition constant measured for 1 hr by liquid scintillation counter analysis
50019932	1	ChEMBL_2342939	Inhibition of human BChE by Ellman's method
50019932	2	ChEMBL_2342940	Inhibition of mouse BChE by Ellman's method
50019932	3	ChEMBL_2342943	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate measured for 3 mins by Ellman's method
50019932	4	ChEMBL_2342944	Inhibition of human BChE using butyrylthiocholine iodide as substrate measured for 3 mins by Ellman's method
50019933	1	ChEMBL_2343121	Inhibition of CDK1 (unknown origin) by FRET assay
50019933	2	ChEMBL_2343122	Inhibition of CDK2 (unknown origin) by FRET assay
50019933	3	ChEMBL_2343123	Inhibition of CDK5 (unknown origin) by FRET assay
50019933	4	ChEMBL_2343126	Inhibition of AXL (unknown origin) by FRET assay
50019933	5	ChEMBL_2343127	Inhibition of PTK2B (unknown origin) by FRET assay
50019933	6	ChEMBL_2343128	Inhibition of FGFR (unknown origin) by FRET assay
50019933	7	ChEMBL_2343129	Inhibition of JAK1 (unknown origin) by FRET assay
50019933	8	ChEMBL_2343130	Inhibition of IGF1R (unknown origin) by FRET assay
50019933	9	ChEMBL_2343131	Inhibition of BRAF (unknown origin) by FRET assay
50019934	1	ChEMBL_2343222	Inhibition of human DHODH incubated for 30 mins
50019935	1	ChEMBL_2343299	Inhibition of human MAO-A using kynuramine as substrate incubated for 30 mins by spectrophotometry analysis
50019935	2	ChEMBL_2343301	Inhibition of human MAO-B using kynuramine as substrate incubated for 30 mins by spectrophotometry analysis
50019935	3	ChEMBL_2343304	Inhibition of S-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addition and measured after 5 mins
50019935	4	ChEMBL_2343306	Inhibition of MB-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addition and measured after 5 mins
50019935	5	ChEMBL_2343308	Inhibition of MB-COMT in rat brain homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addition and measured after 5 mins
50019938	1	ChEMBL_2343331	Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as dissociation constant by SPR analysis
50019938	2	ChEMBL_2343341	Inhibition of full length recombinant SMYD3 (unknown origin) measured at 24 hrs
50019938	3	ChEMBL_2343342	Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as inhibition constant measured after 1 hr by LC-MS analysis
50019939	1	ChEMBL_2343457	Inhibition of recombinant Escherichia coli MurA expressed in Escherichia coli NiCo21 using UNAG and PEP as substrate preincubated for 30 mins in presence of UNAG followed by PEP substrate addition and measured after 15 mins by malachite green based colorimetric assay
50019939	2	ChEMBL_2343461	Inhibition of recombinant Escherichia coli MurA expressed in Escherichia coli NiCo21 using UNAG and PEP as substrate preincubated for 15 mins in presence of UNAG followed by PEP substrate addition and measured after 15 mins by malachite green based colorimetric assay
50019940	1	ChEMBL_2343552	Inhibition of mouse MAGL
50019940	2	ChEMBL_2343553	Binding affinity to full-length mouse N-terminal His6-tagged TEV-MAGL assessed as dissociation constant by SPR analysis
50019940	3	ChEMBL_2343558	Inhibition of human MAGL
50019940	4	ChEMBL_2343579	Inhibition of mouse MAGL pretreated for 15 mins followed by 2-AG addition and measured after 30 mins
50019941	1	ChEMBL_2343589	Displacement of 2-[125I]iodoMLT from human MT1 receptor stably expressed in CHO cells incubated for 60 mins by Cheng-Prusoff equation analysis
50019941	2	ChEMBL_2343590	Displacement of 2-[125I]iodoMLT from human MT2 receptor stably expressed in CHO cells incubated for 90 mins by Cheng-Prusoff equation analysis
50019941	3	ChEMBL_2343591	Displacement of 2-[125I]iodoMLT from human MT1 receptor stably expressed in HEK cells incubated for 120 mins
50019941	4	ChEMBL_2343592	Displacement of 2-[125I]iodoMLT from human MT2 receptor stably expressed in HEK cells incubated for 120 mins
50019941	5	ChEMBL_2343593	Displacement of 2-[125I]iodoMLT from human MT1 receptor stably expressed in CHO cell membrane
50019941	6	ChEMBL_2343594	Displacement of 2-[125I]iodoMLT from human MT2 receptor stably expressed in CHO cell membrane
50019941	7	ChEMBL_2343598	Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constant
50019941	8	ChEMBL_2343599	Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant
50019942	1	ChEMBL_2343600	Binding affinity to His-tagged JAK2 catalytic domain (826 to 1132 residues) (unknown origin) assessed as dissociation constant incubated for 30 mins by MST analysis
50019943	1	ChEMBL_2343648	Inhibition of DENV2 NS2B (48 to 100 residues)/NS3 (14 to 185 residues) protease expressed in Escherichia coli BL21 (DE3) using Bz-Nle-Lys-Arg-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay
50019943	2	ChEMBL_2343649	Inhibition of DENV2 NS2B/NS3 protease using Boc-Gly-Arg-Arg-MCA as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence microplate reader assay
50019943	3	ChEMBL_2343651	Inhibition of recombinant ZIKV NS2B-NS3 protease using Bz-Nle-K-K-R-AMC as substrate incubated for 1 hr by fluorescence-based microplate reader assay
50019944	1	ChEMBL_2343718	Agonist activity at human TLR2 expressed in HEK-Blue hTLR2 cells as SEAP expression incubated for 16 hrs by SEAP-based plate reader analysis
50019945	1	ChEMBL_2343736	Inhibition of CSF1R (unknown origin) using poly (4:1 Glu, Tyr) peptide as substrate incubated for 60 mins in presence of ATP by ADP-Glo luminescence assay
50019945	2	ChEMBL_2343737	Inhibition of PDGFR alpha (unknown origin) using TK as substrate incubated for 50 mins in presence of ATP by HTRF method
50019945	3	ChEMBL_2343738	Inhibition of PDGFR beta (unknown origin) using TK as substrate incubated for 50 mins in presence of ATP by HTRF method
50019945	4	ChEMBL_2343739	Inhibition of FLT3 (unknown origin) using TK as substrate incubated for 50 mins in presence of ATP by HTRF method
50019945	5	ChEMBL_2343740	Inhibition of c-KIT (unknown origin) using TK as substrate incubated for 50 mins in presence of ATP by HTRF method
50019946	1	ChEMBL_2343799	Inhibition of PARP1 (unknown origin) by ELISA
50019948	1	ChEMBL_2343966	Agonist activity at STING in human THP-1 reporter cells incubated for 24 hrs by QUANTI-Luc assay
50019948	2	ChEMBL_2343967	Agonist activity at STING in human THP-1 reporter cells incubated for 4 hrs in presence of lipofectamine 2000 by QUANTI-Luc assay
50019948	3	ChEMBL_2343968	Agonist activity at STING in PMA-treated human THP-1 reporter cells incubated for 30 mins in presence of digitonin by QUANTI-Luc assay
50019949	1	ChEMBL_2343999	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant preincubated for 15 mins and measured for 10 to 100 sec by phenol red dye based stopped flow CO2 hydration assay
50019949	2	ChEMBL_2344000	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant preincubated for 15 mins and measured for 10 to 100 sec by phenol red dye based stopped flow CO2 hydration assay
50019949	3	ChEMBL_2344001	Inhibition of human carbonic anhydrase 4 assessed as inhibition constant preincubated for 15 mins and measured for 10 to 100 sec by phenol red dye based stopped flow CO2 hydration assay
50019949	4	ChEMBL_2344002	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50019950	1	ChEMBL_2344020	Inhibition of recombinant human 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate preincubated for 5 to 10 mins with compound followed by substrate addition and measured after 10 mins by HPLC analysis
50019950	2	ChEMBL_2344021	Inhibition of 5-lipoxygenase in human PMNL cells using arachidonic acid as substrate preincubated with compound for 15 mins followed by A23187 and substrate addition and measured after 10 mins by HPLC analysis
50019950	3	ChEMBL_2344031	Inhibition of 5-LOX in human PMNL cells
50019952	1	ChEMBL_2344224	Inhibition of Listeria monocytogenes NADK1 expressed in Escherichia coli assessed as inhibition constant measured every 32 secs for 32 mins by fluorescence based analysis
50019953	1	ChEMBL_2344230	Inhibition of rat kidney ALR1 using D-glucuronate by measuring NADPH consumption by spectrophotometric analysis
50019953	2	ChEMBL_2344231	Inhibition of ALR2 (unknown origin)
50019954	1	ChEMBL_2344320	Inhibition of XOR (unknown origin) using xanthine as substrate incubated for 3 mins followed by xanthine addition by spectroscopy based analysis
50019955	1	ChEMBL_2344325	Inhibition of human thrombin using S-2238 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by absorbance based assay
50019955	2	ChEMBL_2344326	Inhibition of human factor Xa using S-2765 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	3	ChEMBL_2344350	Inhibition of factor VIIa (unknown origin) using S-2238 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	4	ChEMBL_2344351	Inhibition of factor IXa (unknown origin) using spectrozyme as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	5	ChEMBL_2344352	Inhibition of factor XIa (unknown origin) using S-2366 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	6	ChEMBL_2344353	Inhibition of factor XIIa (unknown origin) using S-2302 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	7	ChEMBL_2344354	Inhibition of activated protein C (unknown origin) using S-2366 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	8	ChEMBL_2344355	Inhibition of chymotrypsin (unknown origin)
50019955	9	ChEMBL_2344356	Inhibition of plasmin (unknown origin) using S-2251 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	10	ChEMBL_2344357	Inhibition of trypsin (unknown origin) using S-2765 as chromogenic substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins
50019955	11	ChEMBL_2344358	Inhibition of tryptase (unknown origin)
50019955	12	ChEMBL_2344359	Inhibition of plasma kallikrein (unknown origin)
50019955	13	ChEMBL_2344373	Inhibition of human alpha-thrombin using N-Benzoyl-L-Phe-L-Val-L-Arg-p-nitroanilide.HCl as substrate measured for 1 to 2 mins by absorbance based analysis
50019955	14	ChEMBL_2344374	Inhibition of bovine thrombin using Bz-Phe-Val-Arg-pNA as substrate by absorbance based assay
50019955	15	ChEMBL_2344375	Inhibition of human alpha-thrombin using Boc-Val-Pro-Arg-AMC as substrate measured every 1 min for 1 hr by fluorescence based analysis
50019955	16	ChEMBL_2344376	Inhibition of mouse thrombin
50019956	1	ChEMBL_2344418	Inhibition of BTK (unknown origin) incubated for 140 mins in presence of ATP and [gamma-33p] ATP by hotspot assay
50019956	2	ChEMBL_2344421	Inhibition of BMX (unknown origin) by filter binding method
50019956	3	ChEMBL_2344422	Inhibition of TEC (unknown origin) by filter binding method
50019956	4	ChEMBL_2344423	Inhibition of ITK (unknown origin) by filter binding method
50019956	5	ChEMBL_2344424	Inhibition of TXK (unknown origin) by filter binding method
50019956	6	ChEMBL_2344425	Inhibition of JAK3 (unknown origin) by filter binding method
50019956	7	ChEMBL_2344426	Inhibition of EGFR (unknown origin) by filter binding method
50019956	8	ChEMBL_2344427	Inhibition of ErbB2 (unknown origin) by filter binding method
50019956	9	ChEMBL_2344428	Inhibition of ErbB4 (unknown origin) by filter binding method
50019956	10	ChEMBL_2344429	Inhibition of BRK (unknown origin) by filter binding method
50019956	11	ChEMBL_2344430	Inhibition of FGR (unknown origin) by filter binding method
50019956	12	ChEMBL_2344431	Inhibition of FRK (unknown origin) by filter binding method
50019956	13	ChEMBL_2344432	Inhibition of LCK (unknown origin) by filter binding method
50019956	14	ChEMBL_2344446	Inhibition of BTK phosphorylation at Y223 residue in goat F(ab') 2 anti-human IgM stimulated human Ramos cells by Western blotting analysis
50019956	15	ChEMBL_2344447	Inhibition of PLCgamma2 phosphorylation at Y1217 residue in goat F(ab') 2 anti-human IgM stimulated human Ramos cells by Western blotting analysis
50019957	1	ChEMBL_2344472	Inhibition of human BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Perkin elmer based spectrophotometer analysis
50019957	2	ChEMBL_2344475	Reversible inhibition of human AChE assessed as inhibition constant
50019957	3	ChEMBL_2344476	Inhibition of human AChE
50019957	4	ChEMBL_2344477	Reversible inhibition of human BChE assessed as inhibition constant
50019957	5	ChEMBL_2344478	Inhibition of human BChE
50019957	6	ChEMBL_2344479	Inhibition of AChE in human Erythrocyte
50019957	7	ChEMBL_2344480	Inhibition of human plasma BChE
50019957	8	ChEMBL_2344482	Inhibition of human AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Perkin elmer based spectrophotometer analysis
50019957	9	ChEMBL_2344484	Mixed competitive inhibition of human AChE assessed as inhibition of constant by Dixon plot analysis
50019957	10	ChEMBL_2344485	Mixed uncompetitive inhibition of human AChE assessed as inhibition of constant by cornish-bowden plot analysis
50019957	11	ChEMBL_2344486	Mixed competitive inhibition of human BChE assessed as inhibition of constant by Dixon plot analysis
50019958	1	ChEMBL_2344498	Inhibition of tyrosinase in human MNT-1 cell lysates using L-DOPA as substrate assessed as reduction in melanin formation preincubated for 10 mins followed by substrate addition and measured by microplate reader analysis
50019958	2	ChEMBL_2344499	Inhibition of C-terminal His-tagged truncated form of human tyrosinase (1 to 456 residues) expressed in HEK293T cells using L-DOPA as substrate assessed as inhibition constant incubated for 1 hr by microplate reader analysis
50019958	3	ChEMBL_2344508	Mixed type inhibition of human recombinant tyrosinase assessed as inhibition constant using L-DOPA as substrate by double reciprocal plot analysis
50019958	4	ChEMBL_2344510	Inhibition of human tyrosinase
50019958	5	ChEMBL_2344511	Inhibition of truncated His-tagged human tyrosinase expressed in HEK293 cells using L-DOPA as substrate by MBTH dye based assay
50019958	6	ChEMBL_2344512	Inhibition of truncated His-tagged human tyrosinase catalytic domain expressed in HEK293 cells using L-DOPA as substrate
50019958	7	ChEMBL_2344513	Inhibition of truncated His-tagged human tyrosinase catalytic domain expressed in HEK293 cells using L-DOPA as substrate assessed as inhibition constant
50019959	1	ChEMBL_2344602	Inhibition of human CGRP1
50019961	1	ChEMBL_2344604	Binding affinity to human CRBN thalidomide binding domain assessed as inhibition constant by microscale thermophoresis analysis
50019965	1	ChEMBL_2344609	Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu-(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DABCTL)-Arg as substrate preincubated with compound for 20 to 30 mins followed by substrate addition and measured after 10 mins by FRET analysis
50019965	2	ChEMBL_2344610	Inhibition of HIV-1 NL4-3 reverse transcriptase by RT-PCR analysis
50019966	1	ChEMBL_2344665	Inhibition of human Choline kinase alpha 1 incubated for 10 mins by liquid-scintillation counter analysis
50019967	1	ChEMBL_2344867	Activation of SIRT6 (unknown origin) deacetylase activity using H3K9Ac peptide substrate by reversed-phase HPLC
50019967	2	ChEMBL_2344869	Activation of his6-tagged SIRT6 (unknown origin) using H3K9Ac peptide substrate incubated for 30 mins
50019967	3	ChEMBL_2344871	Activation of human SIRT6 deacetylase activity by FDL assay
50019967	4	ChEMBL_2344873	Activation of SIRT6 (unknown origin) deacetylase activity
50019967	5	ChEMBL_2344883	Activation of recombinant SIRT6 (unknown origin) deacetylase activity using fluoro peptide as substrate by microplate reader analysis
50019968	1	ChEMBL_2344924	Binding affinity to human CA1 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50019968	2	ChEMBL_2344925	Binding affinity to human CA2 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50019968	3	ChEMBL_2344926	Binding affinity to human CA9 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50019968	4	ChEMBL_2344927	Binding affinity to human CA12 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50019972	1	ChEMBL_2344967	Inhibition of GLS1 (unknown origin) preincubated for 10 mins followed by glutamine addition measured after 60 mins
50019975	1	ChEMBL_2345087	Inhibition of human recombinant HDAC1 using fluorogenic p53 (379-382 residues) (RHKK(Ac)AMC) as substrate
50019975	2	ChEMBL_2345088	Inhibition of human recombinant HDAC3 using fluorogenic p53 (379-382 residues) (RHKK(Ac)AMC) as substrate
50019975	3	ChEMBL_2345089	Inhibition of human recombinant HDAC4 using fluorogenic class IIa (Bos-Lys(trifluoroacetyl)-AMC) as substrate
50019975	4	ChEMBL_2345090	Inhibition of human recombinant HDAC6 using fluorogenic p53 (379-382 residues) (RHKK(Ac)AMC) as substrate
50019975	5	ChEMBL_2345091	Inhibition of human recombinant HDAC8 using fluorogenic diacetylated p53 (379-382 residues) (RHKK(Ac)K(Ac)AMC) as substrate
50019975	6	ChEMBL_2345092	Inhibition of human recombinant HDAC2 using fluorogenic p53 (379-382 residues) (RHKK(Ac)AMC) as substrate
50019975	7	ChEMBL_2345093	Inhibition of human recombinant HDAC5 using fluorogenic class IIa (Bos-Lys(trifluoroacetyl)-AMC) as substrate
50019975	8	ChEMBL_2345094	Inhibition of human recombinant HDAC7 using fluorogenic class IIa (Bos-Lys(trifluoroacetyl)-AMC) as substrate
50019975	9	ChEMBL_2345095	Inhibition of human recombinant HDAC9 using fluorogenic class IIa (Bos-Lys(trifluoroacetyl)-AMC) as substrate
50019975	10	ChEMBL_2345096	Inhibition of human recombinant HDAC10 using fluorogenic p53 (379-382 residues) (RHKK(Ac)AMC) as substrate
50019975	11	ChEMBL_2345097	Inhibition of human recombinant HDAC11 using fluorogenic class IIa (Bos-Lys(trifluoroacetyl)-AMC) as substrate
50019976	1	ChEMBL_2345160	Binding affinity to Pseudomonas aeruginosa LecA assessed as dissociation constant by isothermal titration calorimetry
50019976	2	ChEMBL_2345161	Binding affinity to Pseudomonas aeruginosa LecA expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50019976	3	ChEMBL_2345176	Binding affinity to Pseudomonas aeruginosa LecA
50019977	1	ChEMBL_2345177	Inhibition of human recombinant alpha-L-iduronidase using 4-methylumbelliferyl-alpha-iduronide as fluorogenic substrate
50019977	2	ChEMBL_2345178	Inhibition of human recombinant alpha-L-iduronidase using 4-methylumbelliferyl-alpha-iduronide as fluorogenic substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50019977	3	ChEMBL_2345187	Inhibition of human seminal fluid alpha-L-iduronidase using 4-methylumbelliferyl-alpha-L-idosiduronic acid as substrate incubated for 1 hr by fluorescence based assay
50019977	4	ChEMBL_2345188	Inhibition of human alpha-L-iduronidase using 4-methylumbelliferyl-alpha-L-iduronide as substrate assessed as inhibition constant
50019977	5	ChEMBL_2345190	Inhibition of alpha-L-iduronidase (unknown origin) assessed as inhibition constant
50019978	1	ChEMBL_2345192	Inhibition of human N-terminal 6His-tagged BRD4 BD2 (351 to 457 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells using biotinylated H4 peptide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by AlphaScreen assay
50019978	2	ChEMBL_2345193	Inhibition of BRD4 BD1 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	3	ChEMBL_2345194	Inhibition of BRD4 BD2 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	4	ChEMBL_2345195	Inhibition of BRD2 BD1 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	5	ChEMBL_2345196	Inhibition of BRD2 BD2 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	6	ChEMBL_2345197	Inhibition of BRD3 BD1 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	7	ChEMBL_2345198	Inhibition of BRD3 BD2 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	8	ChEMBL_2345199	Inhibition of BRDT BD1 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019978	9	ChEMBL_2345200	Inhibition of BRDT BD2 (unknown origin) using biotinylated H4 peptide as substrate preincubated for 15 mins followed by SA-Tb and GST-XL665 addition and measured after 60 mins by HTRF assay
50019979	1	ChEMBL_2345231	Inhibition of AKR1C1 (unknown origin) incubated for 10 mins by fluorometric analysis
50019979	2	ChEMBL_2345232	Inhibition of AKR1C2 (unknown origin) incubated for 10 mins by fluorometric analysis
50019979	3	ChEMBL_2345233	Inhibition of C-terminal His tagged AKR1C3 (unknown origin) expressed in Escherichia coli incubated for 10 mins by fluorometric analysis
50019979	4	ChEMBL_2345234	Inhibition of AKR1C4 (unknown origin) incubated for 10 mins by fluorometric analysis
50019980	1	ChEMBL_2345287	Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) GTPase activity by malachite green assay
50019982	1	ChEMBL_2345294	Inhibition of recombinant Leishmania major PTR1 expressed in Escherichia coli BL21 using folic acid as substrate in presence of NADPH
50019987	1	ChEMBL_2345375	Inhibition of wild type HIV-1 reverse transcriptase assessed as assessed as inhibition of biotin deoxyuridine triphosphate incorporation into protein
50019988	1	ChEMBL_2345391	Inhibition of PI5P4Kalpha (unknown origin) incubated for 10 mins in presence of [33P]gamma-ATP and ATP by radiometric kinase assay
50019988	2	ChEMBL_2345392	Inhibition of PI5P4Kbeta (unknown origin) incubated for 10 mins in presence of [33P]gamma-ATP and ATP by radiometric kinase assay
50019988	3	ChEMBL_2345393	Inhibition of PI5P4Kgamma (unknown origin) incubated for 10 mins in presence of [33P]gamma-ATP and ATP by radiometric kinase assay
50019988	4	ChEMBL_2345394	Binding affinity to full length wild type human PI5P4Kgamma assessed as dissociation constant by KINOMEscan KdELECT assay
50019992	1	ChEMBL_2345426	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by Kinase-Glo plus luminescent assay
50019992	2	ChEMBL_2345428	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50019992	3	ChEMBL_2345429	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50019992	4	ChEMBL_2345430	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50019992	5	ChEMBL_2345431	Inhibition of mTOR (unknown origin) using ULight-4E-BP1 (Thr37/46) as peptide substrate incubated for 30 mins in presence of ATP by LANCE Ultra assay
50019995	1	ChEMBL_2345475	Inhibition of TBK1 (unknown origin) incubated for 1 hr in presence of ATP by FRET based Z'-Lyte assay
50019995	2	ChEMBL_2345479	Inhibition of TBK1 in human THP1-Blue ISG cells by measuring SEAP gene expression incubated for 24 hrs by reporter gene assay
50019996	1	ChEMBL_2345519	Inhibition of ASK1 (unknown origin)
50019996	2	ChEMBL_2345522	Inhibition of human recombinant ASK1 using MBP as substrate preincubated for 1 hr followed by reagent addition incubated for 40 mins by ATP-Glo kinase assay
50019997	1	ChEMBL_2345565	Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in cryopreserved HEK293 cell membranes incubated for 60 mins by microbeta liquid scintillation counting method
50019998	1	ChEMBL_2345621	Inhibition of COX-2 (unknown origin) incubated for 5 to 10 mins by fluorometric analysis
50019998	2	ChEMBL_2345624	Inhibition of COX-2 in human Osteosarcoma cell incubated for 15 mins
50019998	3	ChEMBL_2345625	Inhibition of COX-2 (unknown origin)
50020000	1	ChEMBL_2345684	Inhibition of recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using DL-isocitrste as substrate assessed as DL-isocitrate conversion to 2OG incubated for 60 mins in presence of NADPH by spectrophotometric analysis
50020000	2	ChEMBL_2345685	Inhibition of recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using 2OG as substrate assessed as 2OG conversion to 2HG incubated for 60 mins in presence of NADPH by spectrophotometric analysis
50020000	3	ChEMBL_2345691	Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by ITC assay
50020000	4	ChEMBL_2345692	Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by ITC assay
50020000	5	ChEMBL_2345693	Binding affinity to recombinant wildtype IDH1 (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by NMR analysis
50020000	6	ChEMBL_2345694	Binding affinity to recombinant IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by NMR analysis
50020000	7	ChEMBL_2345695	Binding affinity to human recombinant IDH1 expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-denaturing mass spectroscopic analysis
50020000	8	ChEMBL_2345696	Binding affinity to human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) pLysS cells assessed as dissociation constant by non-denaturing mass spectroscopic analysis
50020000	9	ChEMBL_2345699	Inhibition of human N-terminal TEV cleavage strep tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alpha KG as substrate preincubated with compound for 30 mins followed by substrate addition measured after 1.5 hrs by HTS assay
50020000	10	ChEMBL_2345700	Inhibition of IDH1 R132H mutant (unknown origin) using alpha KG as substrate preincubated with compound for 30 mins followed by substrate addition measured after 40 to 50 mins by fluorescence based method
50020001	1	ChEMBL_2345837	Inhibition of N-terminal flag-tagged NanoLuc fused ALK kinase domain (1072 to 1410 residues) (unknown origin) expressed in mouse BaF3 cells assessed as reduction in BRET signal incubated for 2 hrs in presence of CPD-1571 tracer by NanoBRET assay
50020002	1	ChEMBL_2345976	Inhibition of human GST tagged c-Met CD expressed in Sf9 cells using poly(Glu:Tyr) as substrate incubated for 5 mins in presence of ATP by horseradish peroxidase based ELISA method
50020002	2	ChEMBL_2345977	Inhibition of MET (unknown origin)
50020002	3	ChEMBL_2345979	Inhibition of c-Met (unknown origin) using Tyr 6 peptide as substrate incubated for 90 mins in presence of ATP by FRET based Z-LYTE kinase assay
50020002	4	ChEMBL_2345992	Inhibition of SRC (unknown origin)
50020002	5	ChEMBL_2345993	Inhibition of CSF1R (unknown origin)
50020002	6	ChEMBL_2345994	Binding affinity to MET (unknown origin) assessed as inhibition constant
50020002	7	ChEMBL_2346001	Binding affinity to human recombinant MET assessed as inhibition constant
50020003	1	ChEMBL_2346006	Inhibition of HDAC (unknown origin)
50020003	2	ChEMBL_2346007	Inhibition of human recombinant HDAC1
50020003	3	ChEMBL_2346008	Inhibition of human recombinant HDAC2
50020003	4	ChEMBL_2346010	Inhibition of human recombinant HDAC4
50020003	5	ChEMBL_2346011	Inhibition of human recombinant HDAC5
50020003	6	ChEMBL_2346012	Inhibition of human recombinant HDAC7
50020003	7	ChEMBL_2346013	Inhibition of human recombinant HDAC9
50020003	8	ChEMBL_2346015	Inhibition of HDAC in human HeLa nuclear extract
50020003	9	ChEMBL_2346016	Inhibition of human recombinant HDAC6
50020003	10	ChEMBL_2346017	Inhibition of HDAC1 in human K562 cells
50020003	11	ChEMBL_2346018	Inhibition of HDAC2 in human K562 cells
50020003	12	ChEMBL_2346019	Inhibition of human recombinant HDAC3
50020003	13	ChEMBL_2346021	Inhibition of HDAC1/2 in human K562 nuclear extraction
50020003	14	ChEMBL_2346022	Inhibition of human recombinant HDAC8
50020003	15	ChEMBL_2346023	Inhibition of human recombinant HDAC10
50020003	16	ChEMBL_2346024	Inhibition of human recombinant HDAC11
50020003	17	ChEMBL_2346025	Inhibition of human recombinant HDAC1 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	18	ChEMBL_2346026	Inhibition of human recombinant HDAC2 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	19	ChEMBL_2346027	Inhibition of human recombinant HDAC3 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	20	ChEMBL_2346028	Inhibition of human recombinant HDAC4 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	21	ChEMBL_2346029	Inhibition of human recombinant HDAC5 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	22	ChEMBL_2346030	Inhibition of human recombinant HDAC6 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	23	ChEMBL_2346031	Inhibition of human recombinant HDAC7 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	24	ChEMBL_2346032	Inhibition of human recombinant HDAC8 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	25	ChEMBL_2346033	Inhibition of human recombinant HDAC9 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	26	ChEMBL_2346034	Inhibition of human recombinant HDAC10 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	27	ChEMBL_2346035	Inhibition of human recombinant HDAC11 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50020003	28	ChEMBL_2346036	Inhibition of HDAC1 (unknown origin)
50020003	29	ChEMBL_2346037	Inhibition of HDAC2 (unknown origin)
50020003	30	ChEMBL_2346038	Inhibition of HDAC3 (unknown origin)
50020003	31	ChEMBL_2346039	Inhibition of HDAC4 (unknown origin)
50020003	32	ChEMBL_2346040	Inhibition of HDAC5 (unknown origin)
50020003	33	ChEMBL_2346041	Inhibition of HDAC7 (unknown origin)
50020003	34	ChEMBL_2346042	Inhibition of HDAC8 (unknown origin)
50020003	35	ChEMBL_2346043	Inhibition of HDAC9 (unknown origin)
50020003	36	ChEMBL_2346044	Inhibition of HDAC1 in human HeLa nuclear extract
50020003	37	ChEMBL_2346045	Inhibition of HDAC2 in human HeLa nuclear extract
50020003	38	ChEMBL_2346050	Inhibition of human full-length recombinant HDAC1 incubated for 2 hrs by fluorescence based analysis
50020003	39	ChEMBL_2346051	Inhibition of human full-length recombinant HDAC6 incubated for 2 hrs by fluorescence based analysis
50020005	1	ChEMBL_2346072	Binding affinity to mouse MC1R expressed in HEK293 cells assessed as inhibition constant by schild plot analysis
50020005	2	ChEMBL_2346074	Binding affinity to mouse MC3R expressed in HEK293 cells assessed as inhibition constant by schild plot analysis
50020005	3	ChEMBL_2346076	Binding affinity to mouse MC4R expressed in HEK293 cells assessed as inhibition constant by schild plot analysis
50020005	4	ChEMBL_2346078	Binding affinity to mouse MC5R expressed in HEK293 cells assessed as inhibition constant by schild plot analysis
50020005	5	ChEMBL_2346086	Binding affinity to human MC1R
50020005	6	ChEMBL_2346088	Binding affinity to mouse MC1R expressed in HEK293 cells coexpressing CRE/beta-galactosidase assessed as inhibition constant
50020005	7	ChEMBL_2346090	Binding affinity to mouse MC5R expressed in HEK293 cells coexpressing CRE/beta-galactosidase assessed as inhibition constant
50020006	1	ChEMBL_2346101	Inhibition of N-terminal his-tagged WDR5 (1 to 334 residues) (unknown origin) measured after 10 mins by HTRF assay
50020006	2	ChEMBL_2346102	Inhibition of N-terminal his-tagged WDR5 (1 to 334 residues) (unknown origin) measured after 30 mins by HTRF assay
50020006	3	ChEMBL_2346103	Inhibition of N-terminal his-tagged WDR5 (1 to 334 residues) (unknown origin) measured after 90 mins by HTRF assay
50020006	4	ChEMBL_2346104	Inhibition of N-terminal his-tagged WDR5 (1 to 334 residues) (unknown origin) measured after 180 mins by HTRF assay
50020006	5	ChEMBL_2346105	Inhibition of N-terminal his-tagged WDR5 (1 to 334 residues) (unknown origin) measured after 360 mins by HTRF assay
50020007	1	ChEMBL_2346148	Inhibition of angiotensin-converting enzyme (unknown origin)
50020007	2	ChEMBL_2346150	Inhibition of wildtype bacterial NDM-1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using nitrocefin as substrate incubated for 20 mins by absorbance based assay
50020007	3	ChEMBL_2346151	Binding affinity to wildtype bacterial NDM-1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant
50020007	4	ChEMBL_2346154	Inhibition of bacterial NDM-1 (unknown origin)
50020007	5	ChEMBL_2346156	Inhibition of His-tagged bacterial NDM-1 (unknown origin) expressed in Escherichia coli BL21 star cells
50020007	6	ChEMBL_2346159	Inhibition of NDM-1 in Escherichia coli assessed as reduction in imipenem hydrolytic activity
50020007	7	ChEMBL_2346160	Binding affinity to bacterial NDM-1 (unknown origin) assessed as inhibition constant
50020007	8	ChEMBL_2346161	Inhibition of bacterial NDM-1 (unknown origin) using FC5 as substrate preincubated for 15 mins followed by substrate addition by fluorescence based assay
50020007	9	ChEMBL_2346164	Inhibition of U-[13C,15N]-labeled bacterial NDM-1 (unknown origin) using imipenem as substrate by absorbance based assay
50020007	10	ChEMBL_2346167	Inhibition of bacterial NDM-1 (unknown origin) using imipenem as substrate by Agilent UV8453 Spectrometric analysis
50020007	11	ChEMBL_2346168	Inhibition of bacterial NDM-1 (unknown origin) using imipenem as substrate
50020007	12	ChEMBL_2346171	Inhibition of bacterial NDM-1 (unknown origin) using nitrocefin as substrate
50020007	13	ChEMBL_2346172	Binding affinity to bacterial NDM-1 (unknown origin) using nitrocefin as substrate assessed as inhibition constant
50020007	14	ChEMBL_2346174	Inhibition of bacterial NDM-1 (unknown origin) using nitrocefin as substrate incubated for 10 mins followed by substrate addition by absorbance based assay
50020007	15	ChEMBL_2346180	Inhibition of bacterial NDM-1 (unknown origin) using fluorocillin as substrate incubated for 30 mins followed by substrate addition by fluorescence based assay
50020007	16	ChEMBL_2346182	Binding affinity to bacterial NDM-1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant
50020007	17	ChEMBL_2346183	Inhibition of N-terminal His-tagged recombinant Pseudomonas aeruginosa Metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21 star cells using nitrocefin as substrate by absorbance based assay
50020007	18	ChEMBL_2346185	Binding affinity to Metallo-beta-lactamase VIM-2 assessed as inhibition constant
50020007	19	ChEMBL_2346186	Inhibition of bacterial Metallo-beta-lactamase VIM-1 (unknown origin)
50020007	20	ChEMBL_2346190	Inhibition of bacterial Metallo-beta-lactamase VIM-1 (unknown origin) using fluorocillin as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50020007	21	ChEMBL_2346191	Binding affinity to bacterial Metallo-beta-lactamase VIM-1 (unknown origin) assessed as dissociation constant
50020008	1	ChEMBL_2346202	Inhibition of MNK1 (unknown origin)
50020008	2	ChEMBL_2346203	Inhibition of MNK2 (unknown origin)
50020008	3	ChEMBL_2346216	Inhibition of ABL1 (unknown origin)
50020008	4	ChEMBL_2346217	Inhibition of RET (unknown origin)
50020008	5	ChEMBL_2346218	Inhibition of FLT3 (unknown origin)
50020008	6	ChEMBL_2346219	Inhibition of VEGFR2 (unknown origin)
50020008	7	ChEMBL_2346227	Binding affinity to eIF4E (unknown origin) assessed as dissociation constant
50020008	8	ChEMBL_2346229	Inhibition of eIF4E phosphorylation in human HeLa cells
50020008	9	ChEMBL_2346231	Inhibition of ABL1 in human HeLa cells
50020008	10	ChEMBL_2346245	Inhibition of PDGFRalpha (unknown origin)
50020008	11	ChEMBL_2346246	Inhibition of PDGFRbeta (unknown origin)
50020008	12	ChEMBL_2346247	Inhibition of FGFR2 (unknown origin)
50020008	13	ChEMBL_2346248	Inhibition of cKIT (unknown origin)
50020009	1	ChEMBL_2346250	Inhibition of KDR (unknown origin) using biotin as substrate preincubated for 1 hr in presence of ATP and measured after 1 hr by HTRF method
50020009	2	ChEMBL_2346251	Inhibition of PDGFRbeta (unknown origin)
50020009	3	ChEMBL_2346257	Inhibition of VEGFR2 in HUVEC cells
50020009	4	ChEMBL_2346260	Inhibition of human VEGFR
50020009	5	ChEMBL_2346261	Inhibition of TIE2 (unknown origin)
50020010	1	ChEMBL_2346324	Inhibition of Acetylcholinesterase (unknown origin)
50020011	1	ChEMBL_2346370	Inhibition of wild type Plasmodium falciparum DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysis
50020011	2	ChEMBL_2346379	Inhibition of human DHFR using DHF as substrate assessed as inhibition constant in presence of NADPH by UV-Vis spectrometry analysis
50020012	1	ChEMBL_2346390	Inhibition of haspin (unknown origin) incubated for 3 hrs by ADP-GloTM kinase assay
50020012	2	ChEMBL_2346395	Inhibition of FLT3 ITD mutant (unknown origin)
50020012	3	ChEMBL_2346396	Inhibition of FLT3 D835Y mutant (unknown origin)
50020012	4	ChEMBL_2346397	Inhibition of haspin (unknown origin) assessed as dissociation constant
50020013	1	ChEMBL_2346406	Inhibition of Arabidopsis thaliana DHDPS1
50020013	2	ChEMBL_2346407	Inhibition of Arabidopsis thaliana DHDPS2
50020014	1	ChEMBL_2346408	Inhibition of recombinant human CDK13 expressed in baculovirus infected Insect cell measured after 30 mins by scintillation counter analysis
50020014	2	ChEMBL_2346409	Inhibition of recombinant human CDK12 expressed in baculovirus infected Insect cell measured after 30 mins by scintillation counter analysis
50020014	3	ChEMBL_2346410	Inhibition of CDK13 (unknown origin)
50020014	4	ChEMBL_2346411	Inhibition of CDK12 (unknown origin)
50020014	5	ChEMBL_2346412	Inhibition of CDK7 (unknown origin)
50020014	6	ChEMBL_2346413	Inhibition of recombinant human CDK7 expressed in baculovirus infected Insect cell measured after 30 mins by scintillation counter analysis
50020014	7	ChEMBL_2346414	Inhibition of recombinant human CDK9 expressed in baculovirus infected Insect cell measured after 30 mins by scintillation counter analysis
50020014	8	ChEMBL_2346415	Inhibition of GST-tagged recombinant human CDK12 (696 to 1082 residues) expressed in Insect cell in presence of ATP by Km ATP assay
50020014	9	ChEMBL_2346416	Inhibition of GST-tagged recombinant human CDK12 (696 to 1082 residues) expressed in Insect cell in presence of ATP by high ATP assay
50020014	10	ChEMBL_2346417	Inhibition of full length recombinant human CDK9 expressed in Insect cell in presence of ATP
50020014	11	ChEMBL_2346418	Inhibition of full length recombinant human CDK7 expressed in Insect cell in presence of ATP
50020014	12	ChEMBL_2346419	Inhibition of full length recombinant human CDK2 expressed in Insect cell in presence of ATP
50020014	13	ChEMBL_2346420	Inhibition of full length recombinant human CDK1 expressed in Insect cell in presence of ATP
50020014	14	ChEMBL_2346423	Inhibition of CDK12 in mouse OV2944-HM-1 cells by Westernblot analysis
50020014	15	ChEMBL_2346426	Binding affinity to CDK12 (unknown origin) assessed as dissociation constant
50020014	16	ChEMBL_2346427	Binding affinity to CDK13 (unknown origin) assessed as dissociation constant
50020014	17	ChEMBL_2346428	Binding affinity to CDK9 (unknown origin) assessed as dissociation constant
50020014	18	ChEMBL_2346429	Binding affinity to CDK6 (unknown origin) assessed as dissociation constant
50020015	1	ChEMBL_2346434	Inhibition of GST-fused human recombinant PI5P4Kbeta expressed in Escherichia coli BL21(DE3) incubated for 60 mins by ADP-Glo assay
50020016	1	ChEMBL_2346440	Inhibition of cPLA2 alpha (unknown origin)
50020016	2	ChEMBL_2346443	Inhibition of rat brain microsome FAAH using N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide as substrate incubated for 60 mins by RP-HPLC analysis
50020017	1	ChEMBL_2346461	Inhibition of ERK2 phosphorylation in human A549 cells
50020018	1	ChEMBL_2346519	Inhibition of His-tagged MLLT1 YD domain (unknown origin) assessed as disruption of protein binding to histone peptide using biotinylated histone peptide as substrate by AlphaScreen assay
50020018	2	ChEMBL_2346521	Inhibition of MLLT1 YD domain (unknown origin) assessed as disruption of histone peptide binding using histone peptide as substrate by HTRF assay
50020018	3	ChEMBL_2346522	Inhibition of MLLT3 YD domain (unknown origin) assessed as disruption of histone peptide binding using histone peptide as substrate by HTRF assay
50020018	4	ChEMBL_2346523	Inhibition of YEATS2 YD domain (unknown origin) assessed as disruption of histone peptide binding using histone peptide as substrate by HTRF assay
50020018	5	ChEMBL_2346524	Inhibition of YEATS4 YD domain (unknown origin) assessed as disruption of histone peptide binding using histone peptide as substrate by HTRF assay
50020018	6	ChEMBL_2346525	Binding affinity to MLLT1 YD domain (unknown origin) assessed as dissociation constant by biolayer interferometry assay
50020018	7	ChEMBL_2346526	Binding affinity to MLLT3 YD domain (unknown origin) assessed as dissociation constant by biolayer interferometry assay
50020018	8	ChEMBL_2346529	Binding affinity to MLLT1 YD domain (unknown origin) assessed as dissociation constant by isothermal calorimetry assay
50020018	9	ChEMBL_2346530	Binding affinity to MLLT3 YD domain (unknown origin) assessed as dissociation constant by isothermal calorimetry assay
50020018	10	ChEMBL_2346542	Binding affinity to MLLT3 in human HEK293 cells by NanoBRET assay
50020019	1	ChEMBL_2346543	Binding affinity to Amyloid-beta (unknown origin) (1 to 42 residues) assessed as dissociation constant incubated for 30 mins by fluorescence based analysis
50020020	1	ChEMBL_2346618	Inhibition of XO (unknown origin) using xanthine as substrate pre incubated for 10 mins followed by substrate addition measured after 15 mins
50020020	2	ChEMBL_2346619	Inhibition of XO (unknown origin)
50020020	3	ChEMBL_2346620	Inhibition of XO (unknown origin) using xanthine as substrate pre incubated for 15 mins followed by substrate addition measured after 30 mins by UV-VIS spectrophotometer analysis
50020020	4	ChEMBL_2346621	Inhibition of XO (unknown origin) using xanthine as substrate by spectrophotometric analysis
50020020	5	ChEMBL_2346622	Inhibition of Bovine milk XO using xanthine as substrate pre incubated for 5 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50020020	6	ChEMBL_2346623	Inhibition of Bovine XO using xanthine as substrate assessed as decrease in uric acid level preincubated for 15 mins followed by substrate addition measured after 2 mins by spectrophotometric analysis
50020020	7	ChEMBL_2346624	Inhibition of XO (unknown origin) using xanthine as substrate pre incubated for 5 mins followed by substrate addition measured after 1 mins by spectrophotometric analysis
50020020	8	ChEMBL_2346625	Inhibition of Bovine milk XO using xanthine as substrate assessed as decrease in uric acid level measured after 5 mins by spectrophotometric analysis
50020020	9	ChEMBL_2346626	Inhibition of XO (unknown origin) using xanthine as substrate assessed as decrease in uric acid level by spectrophotometric analysis
50020020	10	ChEMBL_2346627	Inhibition of Bovine XO using xanthine as substrate assessed as decrease in uric acid level measured after 10 mins by spectrophotometric analysis
50020020	11	ChEMBL_2346628	Inhibition of Bovine milk XO using xanthine as substrate assessed as decrease in uric acid level measured after 15 mins by spectrophotometric analysis
50020020	12	ChEMBL_2346629	Inhibition of Bovine milk XO using xanthine as substrate assessed as decrease in uric acid level pre incubated for 15 mins followed by substrate addition measured after 30 mins by spectrophotometric analysis
50020020	13	ChEMBL_2346630	Inhibition of Bovine milk XO using xanthine as substrate assessed as decrease in uric acid level measured after 1 to 5 mins by spectrophotometric analysis
50020020	14	ChEMBL_2346631	Inhibition of XO (unknown origin) using xanthine as substrate measured after 10 mins
50020020	15	ChEMBL_2346632	Inhibition of XO (unknown origin) using xanthine as substrate measured after 2 to 3 mins by UV-spectrophotometric analysis
50020020	16	ChEMBL_2346633	Inhibition of Bovine XO using xanthine as substrate assessed as decrease in uric acid level by spectrophotometric analysis
50020020	17	ChEMBL_2346634	Inhibition of XO (unknown origin) using xanthine as substrate assessed as decrease in uric acid level measured after 3 mins by spectrophotometric analysis
50020020	18	ChEMBL_2346636	Inhibition of mouse serum XO
50020020	19	ChEMBL_2346640	Inhibition of Bovine milk XO using xanthine as substrate measured after 10 mins by spectrophotometric analysis
50020020	20	ChEMBL_2346641	Inhibition of Bovine milk XO using xanthine as substrate measured after 3 mins by spectrophotometric analysis
50020020	21	ChEMBL_2346642	Binding affinity to XO (unknown origin) assessed as inhibition constant
50020020	22	ChEMBL_2346644	Inhibition of Bovine milk XO using xanthine as substrate measured after 10 mins by microplate reader analysis
50020020	23	ChEMBL_2346646	Inhibition of XO (unknown origin) using xanthine as substrate measured after 1 to 5 mins by spectrophotometric analysis
50020020	24	ChEMBL_2346647	Inhibition of Bovine milk XO using xanthine as substrate assessed as decrease in uric acid level measured after 30 mins by microplate reader analysis
50020020	25	ChEMBL_2346648	Displacement of 3H-orotate from URAT1 (unknown origin) stably transfected in CHO cells assessed as reduction in uric acid level by liquid scintillation counter analysis
50020020	26	ChEMBL_2346649	Inhibition of XO (unknown origin) by fluorescence based assay
50020020	27	ChEMBL_2346650	Inhibition of Bovine milk XO measured after 30 mins
50020020	28	ChEMBL_2346651	Inhibition of XO (unknown origin) using xanthine as substrate
50020020	29	ChEMBL_2346652	Inhibition of human URAT1
50020020	30	ChEMBL_2346653	Inhibition of URAT1 (unknown origin) assessed as decrease in uric acid level measured after 15 mins
50020020	31	ChEMBL_2346654	Inhibition of Bovine milk XO
50020020	32	ChEMBL_2346655	Inhibition of URAT1 (unknown origin)
50020020	33	ChEMBL_2346656	Inhibition of URAT1 (unknown origin) assessed as decrease in uric acid level
50020020	34	ChEMBL_2346658	Inhibition of XO (unknown origin) assessed as decrease in uric acid level
50020021	1	ChEMBL_2346685	Agonist activity at PPARalpha (unknown origin)
50020021	2	ChEMBL_2346686	Agonist activity at PPARdelta (unknown origin)
50020021	3	ChEMBL_2346687	Agonist activity at PPARgamma (unknown origin)
50020023	1	ChEMBL_2346723	Inhibition of AChE (unknown origin) by Ellman's method
50020023	2	ChEMBL_2346727	Inhibition of yeast alpha-glucosidase using pNPG as substrate incubated for 10 mins
50020024	1	ChEMBL_2346878	Inhibition of porcine PDHc E1-subunit incubated for 30 mins followed by pyruvate addition in presence of thiamine pyrophosphate by microplate reader analysis
50020024	2	ChEMBL_2346890	Binding affinity to porcine PDHc E1-subunit assessed as inhibition constant incubated for 30 mins followed by pyruvate addition by microplate reader analysis
50020025	1	ChEMBL_2346935	Inhibition of pancreatic lipase (unknown origin) by spectrophotometeric analysis
50020025	2	ChEMBL_2346938	Binding affinity to pancreatic lipase (unknown origin) assessed as inhibition constant by Lineweaver-Burk plot analysis
50020028	1	ChEMBL_2346939	Binding affinity to human MYOF C2D by SPR method
50020028	2	ChEMBL_2346946	Binding affinity to MYOF C2D (unknown origin) expressed in Escherichia coli BL21(DE3) by SPR analysis
50020029	1	ChEMBL_2347029	Inhibition of amyloid-beta (unknown origin) aggregation at 1:10 compound:amyloidbeta ratio incubated for 24 hrs by ThT fluorescence assay
50020030	1	ChEMBL_2347034	Binding affinity to human galectin 1 assessed as dissociation constant incubated for 30 mins in presence of TDGA probe by fluorescence polarization assay
50020030	2	ChEMBL_2347035	Binding affinity to human galectin-3 assessed as dissociation constant by fluorescence polarization assay
50020030	3	ChEMBL_2347043	Binding affinity to N-terminal human Galectin-4 assessed as dissociation constant by fluorescence polarization assay
50020030	4	ChEMBL_2347044	Binding affinity to C-terminal human Galectin-4 assessed as dissociation constant by fluorescence polarization assay
50020030	5	ChEMBL_2347045	Binding affinity to human Galectin-7 assessed as dissociation constant by fluorescence polarization assay
50020030	6	ChEMBL_2347046	Binding affinity to N-terminal human Galectin-8 assessed as dissociation constant by fluorescence polarization assay
50020030	7	ChEMBL_2347047	Binding affinity to C-terminal human Galectin-8 assessed as dissociation constant by fluorescence polarization assay
50020030	8	ChEMBL_2347048	Binding affinity to N-terminal human Galectin-9 assessed as dissociation constant by fluorescence polarization assay
50020030	9	ChEMBL_2347049	Binding affinity to C-terminal human Galectin-9 assessed as dissociation constant by fluorescence polarization assay
50020030	10	ChEMBL_2347057	Binding affinity to mouse Galectin-1 assessed as dissociation constant incubated for 30 mins in the presence of TDGA probe by fluorescence polarization assay
50020030	11	ChEMBL_2347058	Binding affinity to mouse Galectin-3 assessed as dissociation constant by fluorescence polarization assay
50020030	12	ChEMBL_2347060	Binding affinity to human galectin-1 assessed as dissociation constant by SPR analysis
50020030	13	ChEMBL_2347061	Binding affinity to mouse full-length galectin-1 assessed as dissociation constant by SPR analysis
50020030	14	ChEMBL_2347062	Binding affinity to human galectin-3 assessed as dissociation constant by SPR analysis
50020030	15	ChEMBL_2347063	Binding affinity to mouse full-length galectin-3 assessed as dissociation constant by SPR analysis
50020030	16	ChEMBL_2347081	Binding affinity to galectin-1 (unknown origin) assessed as dissociation constant
50020030	17	ChEMBL_2347082	Binding affinity to galectin-3 (unknown origin) assessed as dissociation constant
50020033	1	ChEMBL_2347083	Inhibition of recombinant human NAMPT preincubated for 5 mins followed by NAM addition measured for 15 mins by fluorescence based assay
50020034	1	ChEMBL_2347117	Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin) phosphorylation
50020034	2	ChEMBL_2347118	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) phosphorylation
50020034	3	ChEMBL_2347119	Inhibition of wild-type EGFR (unknown origin) phosphorylation
50020035	1	ChEMBL_2347125	Antagonist activity at human TRPV3 channel expressed in HEK293T cells assessed as inhibition of 2-APB induced channel current by whole cell patch clamp recordings
50020036	1	ChEMBL_2347135	Inhibition of TLR4 (unknown origin) using TMB as substrate incubated for 90 mins
50020037	1	ChEMBL_2347162	Competitive inhibition of recombinant human ACP1 using pNPP as substrate assessed as inhibition constant preincubated with compound for 10 mins followed by substrate addition and measured by Lineweaver-Burk plot analysis
50020037	2	ChEMBL_2347163	Competitive inhibition of recombinant human PTP1B using pNPP as substrate assessed as inhibition constant preincubated with compound for 10 mins followed by substrate addition and measured by Lineweaver-Burk plot analysis
50020037	3	ChEMBL_2347168	Inhibition of recombinant human ACP1 using pNPP as substrate preincubated with compound for 10 mins followed by substrate addition and measured by absorbance based assay
50020037	4	ChEMBL_2347169	Inhibition of recombinant human PTP1B using pNPP as substrate preincubated with compound for 10 mins followed by substrate addition and measured by absorbance based assay
50020037	5	ChEMBL_2347172	Inhibition of recombinant human TCPTP
50020037	6	ChEMBL_2347173	Inhibition of recombinant human CD45
50020038	1	ChEMBL_2347282	Inhibition of Kv4.3 (unknown origin)
50020038	2	ChEMBL_2347283	Inhibition of Cav3.1 (unknown origin)
50020038	3	ChEMBL_2347284	Inhibition of Nav1.2 (unknown origin)
50020038	4	ChEMBL_2347285	Inhibition of Nav1.5 (unknown origin)
50020039	1	ChEMBL_2347361	Binding affinity to TRIP13 (unknown origin) assessed as dissociation constant by SPR analysis
50020040	1	ChEMBL_2347433	Inhibition of recombinant MPS1 (unknown origin) in presence of ATP
50020040	2	ChEMBL_2347434	Competitive binding affinity to MPS1 (unknown origin) in presence of ATP
50020040	3	ChEMBL_2347435	Inhibition of human recombinant MPS1
50020040	4	ChEMBL_2347436	Inhibition of JNK1/2 (unknown origin)
50020040	5	ChEMBL_2347437	Inhibition of JNK3 (unknown origin)
50020040	6	ChEMBL_2347438	Competitive inhibition of MPS1 (unknown origin) in presence of ATP
50020040	7	ChEMBL_2347439	Inhibition of MPS1 (unknown origin)
50020040	8	ChEMBL_2347444	Inhibition of MPS1 in human MDA-MB-468 cells assessed as decrease in phosphorylation of histone H3 at Ser10 incubated for 2 hrs in presence of PF-2771 by ELISA
50020040	9	ChEMBL_2347445	Inhibition of human MPS1
50020040	10	ChEMBL_2347446	Inhibition of mouse MPS1
50020040	11	ChEMBL_2347449	Inhibition of C-terminal tGFP-tagged full-length human MPS1 expressed in mammalian expression system using myelin basic protein as substrate in presence of ATP
50020040	12	ChEMBL_2347450	Inhibition of GST-fused AURORA B (1 to 344 residues) expressed in Escherichia coli co-expressing human INCENP assessed as reduction in phosphorylation of histone H3 level incubated for 1 hr in presence of gamma-[32P]ATP by densitometric analysis
50020040	13	ChEMBL_2347451	Inhibition of MPS1 (unknown origin) using MAD1-MAD2 complex as substrate incubated for 1 hr in presence of gamma-[32P]ATP by densitometric analysis
50020040	14	ChEMBL_2347452	Inhibition of full-length MPS1 (unknown origin) in presence of ATP
50020040	15	ChEMBL_2347453	Inhibition of full-length MPS1 (unknown origin) using fluorescein-labeled MBP-derived peptide as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs in presence of ATP by FP assay
50020041	1	ChEMBL_2347474	Binding affinity to full length human His-tagged ROR1 (937 residues ) assessed as dissociation constant by SPR analysis
50020041	2	ChEMBL_2347475	Binding affinity to full length human His-tagged ROR2 (943 residues ) assessed as dissociation constant by SPR analysis
50020041	3	ChEMBL_2347481	Binding affinity to ROR1 (unknown origin)
50020041	4	ChEMBL_2347482	Binding affinity to human ROR1 expressed in HEK293 cells by cell based assay
50020044	1	ChEMBL_2347493	Inhibition of full length beta-catenin (unknown origin)/FAM labeled BCL9 (350 to 375 residues) (unknown origin) protein-protein interaction by competitive FP assay
50020044	2	ChEMBL_2347498	Binding affinity to full length beta-catenin (unknown origin) assessed as dissociation constant by SPR analysis
50020045	1	ChEMBL_2347551	Binding affinity to his-tagged recombinant Vimentin (unknown origin) assessed as dissociation constant by ELISA analysis
50020046	1	ChEMBL_2347558	Inhibition of human recombinant glutaminyl cyclase using glutaminyl-7-amido-4-methylcoumarin as substrate assessed as inhibition constant by microplate reader analysis
50020046	2	ChEMBL_2347559	Inhibition of human glutaminyl cyclase assessed as inhibition constant
50020046	3	ChEMBL_2347560	Inhibition of N-terminal his6-tagged human recombinant glutaminyl cyclase expressed in Escherichia coli using H-Gln-AMC as substrate incubated for 60 mins in presence of pyroglutamyl peptidase
50020047	1	ChEMBL_2347631	Inhibition of HSP90 (unknown origin) at N-terminal incubated for 3 hrs in presence of FITC-GA by competitive binding based fluorescence polarization assay
50020047	2	ChEMBL_2347632	Inhibition of HSP90 (unknown origin) at C-terminal by AlphaScreen assay
50020048	1	ChEMBL_2347649	Inhibition of EGFR (unknown origin)
50020048	2	ChEMBL_2347660	Inhibition of EGFR T790M/L858R mutant (unknown origin)
50020048	3	ChEMBL_2347690	Inhibition of EGFR (unknown origin) using poly E4Y1 and ATP as substrate incubated for 60 mins by ADP-Glo kinase assay
50020049	1	ChEMBL_2347698	Inhibition of alpha glucosidase (unknown origin) measured after 60 mins
50020049	2	ChEMBL_2347727	Inhibition of Protein tyrosine phosphatase 1B (unknown origin)
50020049	3	ChEMBL_2347742	Inhibition of Alpha-glucosidase (unknown origin) spectrophotometric analysis
50020049	4	ChEMBL_2347746	Inhibition of Acetylcholinesterase (unknown origin)
50020049	5	ChEMBL_2347766	Inhibition of COX-2 (unknown origin)
50020049	6	ChEMBL_2347774	Inhibition of mu opioid receptor (unknown origin)
50020049	7	ChEMBL_2347785	Inhibition of Alpha-glucosidase (unknown origin) using p-nitrophenyl glucopyranoside as substrate by UV based microplate reader analysis
50020049	8	ChEMBL_2347789	Inhibition of amyloid-beta (unknown origin)
50020049	9	ChEMBL_2347790	Inhibition of tau phosphorylation (unknown origin)
50020050	1	ChEMBL_2347812	Inhibition of IL-5 (unknown origin)
50020051	1	ChEMBL_2347835	Activation of wildtype CFTR in human Calu-3 cells
50020051	2	ChEMBL_2347836	Activation of wildtype CFTR (unknown origin) expressed in CHO cells
50020051	3	ChEMBL_2347837	Activation of CFTR (unknown origin)
50020051	4	ChEMBL_2347838	Binding affinity at human wildtype CFTR assessed as inhibition constant by fluorescence based analysis
50020051	5	ChEMBL_2347839	Potentiation of CFTR F508del mutant (unknown origin) expressed in NIH3T3 cells
50020051	6	ChEMBL_2347841	Activation of wildtype CFTR G551D mutant (unknown origin) expressed in CHO cells
50020051	7	ChEMBL_2347846	Activation of human CFTR expressed in rat FRT cells
50020052	1	ChEMBL_2347861	Inhibition of bovine liver DHFR incubated for 12 mins in presence of NADPH
50020053	1	ChEMBL_2347941	Inhibition of VEGFR-2 (unknown origin) incubated for 45 mins by Kinase-Glo Max assay
50020054	1	ChEMBL_2347966	Inhibition of human carbonic anhydrase II esterase activity using p-nitrophenol acetate as substrate and measured for 3 mins by UV/visible spectrophotometric analysis
50020054	2	ChEMBL_2347976	Inhibition of Staphylococcus aureus DNA gyrase subunit B ATPase activity using relaxed pNO1 plasmid as substrate incubated for 30 mins by microplate reader analysis
50020054	3	ChEMBL_2347977	Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit B ATPase activity using relaxed pNO1 plasmid as substrate incubated for 30 mins by microplate reader analysis
50020054	4	ChEMBL_2347978	Inhibition of Staphylococcus aureus dihydrofolate reductase using dihydrofolate as substrate in presence of NADPH by microplate reader analysis
50020056	1	ChEMBL_2347987	Competitive inhibition of NDM-1 using imipenem as substrate by spectrophotometric analysis
50020056	2	ChEMBL_2347994	Inhibition of bacterial NDM-1
50020057	1	ChEMBL_2347995	Inhibition of NLRP3 in LPS/nigericin-induced human THP-1 cells assessed as inhibition of IL-1beta production pretreated with LPS for 3 hrs followed by incubation with compound for 15 mins and later stimulated with nigericin for 90 mins by AlphaLISA assay
50020057	2	ChEMBL_2347996	Inhibition of NLRP3 in human whole blood assessed as inhibition of IL-1beta production pretreated with LPS for 3 hrs followed by incubation with compound for 0.5 hrs and later incubated with ATP for 1.5 hrs by AlphaLISA assay
50020057	3	ChEMBL_2348002	Inhibition of NLRC4 (unknown origin) in PMA-differentiated human THP-1 cells assessed as inhibition of IL-1 beta production pretreated for 15 mins followed by flagellin stimulation and measured after 18 hrs by AlphaLISA assay
50020058	1	ChEMBL_2348026	Inhibition of Saccharomyces cerevisiae alpha glucosidase using p-nitrophenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50020059	1	ChEMBL_2348029	Agonist activity at human TRPML1 expressed in HEK293 cells incubated for 1 hr by FLIPR assay
50020060	1	ChEMBL_2348084	Inhibition of recombinant PTP1B (unknown origin) using pNPP as substrate relative to control
50020061	1	ChEMBL_2348098	Displacement of [3H]CP55940 from human CB1 receptor expressed in Sf9 cell membranes assessed as inhibition constant incubated for 90 mins by by scintillation counter analysis
50020061	2	ChEMBL_2348099	Displacement of [3H]CP55940 from human CB2 receptor expressed in Sf9 cell membranes assessed as inhibition constant incubated for 90 mins by by scintillation counter analysis
50020061	3	ChEMBL_2348100	Agonist activity at rat TRPA1 expressed in HEK293 cells
50020066	1	ChEMBL_2348167	Inhibition of MAGL (unknown origin) using 2-arachidonoylglycerol as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 30 mins by mass spectrometer analysis
50020067	1	ChEMBL_2348168	Positive allosteric modulation of human alpha7 nAChR expressed in HEK cells assessed as potentiation of acetylcholine induced peak current amplitude preincubated for 58 secs followed by acetylcholine stimulation for 1 secs by automated patch-clamp electrophysiology
50020068	1	ChEMBL_2348180	Binding affinity to his tagged BRDT bromodomain (unknown origin) assessed as dissociation constant by SPR method
50020068	2	ChEMBL_2348181	Binding affinity to BRDT bromodomain (unknown origin) by alpha screen assay
50020068	3	ChEMBL_2348182	Inhibition of BRD4 (unknown origin) by alpha screen assay
50020069	1	ChEMBL_2348195	Inhibition of human alpha 2C adrenergic receptor assessed as inhibition constant by microbeta scintillation counting method
50020069	2	ChEMBL_2348197	Inhibition of human sigma 2 receptor assessed as inhibition constant by microbeta scintillation counting method
50020069	3	ChEMBL_2348198	Inhibition of human sigma 1 receptor assessed as inhibition constant by microbeta scintillation counting method
50020069	4	ChEMBL_2348199	Inhibition of human KOR assessed as inhibition constant by microbeta scintillation counting method
50020069	5	ChEMBL_2348200	Inhibition of human 5-HT1D receptor assessed as inhibition constant by microbeta scintillation counting method
50020069	6	ChEMBL_2348202	Inhibition of human 5-HT2B receptor assessed as inhibition constant by microbeta scintillation counting method
50020069	7	ChEMBL_2348204	Inhibition of human 5-HT6 receptor assessed as inhibition constant by microbeta scintillation counting method
50020070	1	ChEMBL_2348222	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 20 secs for 3 mins by Ellman's method
50020070	2	ChEMBL_2348223	Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured every 20 secs for 3 mins by Ellman's method
50020070	3	ChEMBL_2348228	Binding affinity to electric eel AChE assessed as inhibition constant by Lineweaver-Burk plot analysis
50020071	1	ChEMBL_2348232	Binding affinity to LC3-B (unknown origin) assessed as dissociation constant by MST analysis
50020071	2	ChEMBL_2348233	Binding affinity to PDEdelta (unknown origin) assessed as dissociation constant incubated for overnight by fluorescence polarization assay
50020072	1	ChEMBL_2348262	Inhibition of Plasmodium falciparum Threonyl tRNA synthetase
50020072	2	ChEMBL_2348263	Inhibition of Plasmodium falciparum Threonyl tRNA synthetase expressed in Escherichia coli Rossetta 2 (DE3) assessed as apparent inhibition constant by measuring formation of Thr-tRNA Thr using [14C]threonine and unlabeled threonine by scintillation counting analysis
50020072	3	ChEMBL_2348264	Inhibition of 6xHis-tag recombinant Plasmodium falciparum threonyl tRNA synthetase expressed in Escherichia using L-threonine and total tRNA by luminescence based assay
50020072	4	ChEMBL_2348266	Inhibition of human cytosolic ThrRS assessed as dissociation constant by isothermal titration calorimetry
50020074	1	ChEMBL_2348349	Inhibition of GCS in human A-375 cell golgi body preparations using ceramide and UDP-glucose as substrate by UDP-Glo based luminometric analysis
50020074	2	ChEMBL_2348350	Inhibition of GCS in wild type HDF cells by LC-MS assay
50020074	3	ChEMBL_2348365	Inhibition of GCS (unknown origin)
50020077	1	ChEMBL_2348651	Binding affinity to human carbonic anhydrase 12 assessed as inhibition constant
50020077	2	ChEMBL_2348652	Binding affinity to human carbonic anhydrase IX assessed as inhibition constant
50020077	3	ChEMBL_2348662	Inhibition of ALK L1196M mutant (unknown origin)
50020077	4	ChEMBL_2348663	Inhibition of ALK G1269A mutant (unknown origin)
50020077	5	ChEMBL_2348664	Inhibition of ALK G1202R mutant (unknown origin)
50020077	6	ChEMBL_2348758	Inhibition of STS (unknown origin)
50020078	1	ChEMBL_2348788	Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated with enzyme for 15 mins followed by substrate addition in presence of NAD+ and measured for 5 mins by spectrophotometric analysis
50020078	2	ChEMBL_2348789	Inhibition of human ALDH2 using acetaldehyde as substrate preincubated with enzyme for 15 mins followed by substrate addition in presence of NAD+ and measured for 5 mins by spectrophotometric analysis
50020078	3	ChEMBL_2348790	Inhibition of human ALDH3A1 using 4-nitrobenzaldehyde as substrate preincubated with enzyme for 15 mins followed by substrate addition in presence of NAD+ and measured for 5 mins by spectrophotometric analysis
50020080	1	ChEMBL_2348801	Inhibition of AChE (unknown origin) assessed as inhibition constant
50020080	2	ChEMBL_2348803	Inhibition of AChE (unknown origin)
50020080	3	ChEMBL_2348804	Inhibition of BuChE (unknown origin)
50020080	4	ChEMBL_2348805	Inhibition of AChE (unknown origin) using acetylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method
50020080	5	ChEMBL_2348806	Inhibition of BuChE (unknown origin) incubated for 15 mins by DTNB reagent based Ellman's method
50020080	6	ChEMBL_2348809	Inhibition of AChE (unknown origin) by Ellman's method
50020080	7	ChEMBL_2348811	Inhibition of BuChE (unknown origin) by Ellman's method
50020080	8	ChEMBL_2348814	Mixed type inhibition of AChE (unknown origin) assessed as inhibition constant by Lineweaver-burk plot analysis
50020081	1	ChEMBL_2348821	Agonist activity at human ERalpha expressed in HEK293 cells assessed as increase in beta-galactosidase activity incubated for 24 hrs by luciferase based microplate reader assay
50020082	1	ChEMBL_2348846	Inhibition of human TAK1 using casein as substrate in presence of [gamma-33P]-ATP by radiometric hotspot kinase assay
50020083	1	ChEMBL_2348868	Inhibition of CDK4 (unknown origin) incubated for 60 mins in presence of ATP by luminescence based analysis
50020083	2	ChEMBL_2348869	Inhibition of CDK6 (unknown origin) incubated for 60 mins in presence of ATP by luminescence based analysis
50020084	1	ChEMBL_2348879	Inhibition of NLRP3 inflammasome activation in mouse J774.A1 cells assessed as reduction in LPS-stimulated IL-1beta level pretreated for 1 hr followed by nigericin treatment for 1 hr by ELISA
50020087	1	ChEMBL_2348961	Inhibition of Staphylococcus aureus CrtM
50020088	1	ChEMBL_2349019	Displacement of [35S]MK-0677 from human GHSR1a expressed in HEK293 cell membrane by filter binding assay
50020088	2	ChEMBL_2349020	Displacement of [125I]ghrelin from GHSR1a in HEK293 cells by competitive binding assay
50020088	3	ChEMBL_2349023	Displacement of his-tagged [125I]-ghrelin from eYFP-labelled GHSR1a (unknown origin) transfected in HEK293 cells incubated for 20 mins by radioligand binding assay
50020089	1	ChEMBL_2349060	Displacement of [125I]-orexin A recombinant human OX2R expressed in HEK293 cells assessed as inhibition constant incubated for 90 mins by scintillation counter analysis
50020089	2	ChEMBL_2349061	Displacement of [125I]-orexin A recombinant human OX1R expressed in HEK293 cells assessed as inhibition constant incubated for 90 mins by scintillation counter analysis
50020089	3	ChEMBL_2349064	Binding affinity to OX2R (unknown origin) assessed as inhibition constant
50020090	1	ChEMBL_2349112	Inhibition of PAX3-FOXO1 (unknown origin) fusion protein expressed human Rh4 cells cotransfected with ALK-Luc incubated for 24 hrs by Steady-Glo luciferase assay
50020090	2	ChEMBL_2349113	Inhibition of PAX3-FOXO1 (unknown origin) fusion protein expressed human Rh4 cells cotransfected with CMV-Luc incubated for 24 hrs by Steady-Glo luciferase assay
50020091	1	ChEMBL_2349131	Inhibition of human TRPA1 overexpressed in HEK293 cells assessed as reduction in AITC-induced calcium mobilization preincubated for 5 mins followed by AITC addition by FLIPR assay
50020092	1	ChEMBL_2349155	Inhibition of EBP in HEK293T cells using zymosterol-d5 as substrate preincubated for 30 mins followed by substrate addition and measured after 4 hrs by LC-MS analysis
50020093	1	ChEMBL_2349178	Displacement of [125I]apamin from human SK2 expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting analysis
50020093	2	ChEMBL_2349179	Displacement of [125I]apamin from human SK3 expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting analysis
50020093	3	ChEMBL_2349181	Displacement of [125I]apamin from SK2 (unknown origin) expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting analysis
50020093	4	ChEMBL_2349182	Displacement of [125I]apamin from SK3 (unknown origin) expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting analysis
50020094	1	ChEMBL_2349277	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells incubated for 18 hrs by QUANTI-Blue reagent based SEAP reporter assay
50020094	2	ChEMBL_2349278	Agonist activity at mouse TLR7 by SEAP reporter gene based assay
50020094	3	ChEMBL_2349299	Agonist activity at human TLR8
50020094	4	ChEMBL_2349324	Agonist activity at human TLR7 by reporter assay
50020094	5	ChEMBL_2349325	Agonist activity at mouse TLR7
50020095	1	ChEMBL_2349327	Inhibition of N-terminal 6xHis-tagged SARS-CoV-2 3CLPro expressed in Escherichia coli BL21(DE3) using Hi-lyte Fluor-488-ESATLQSGLRKAK-(QXL-520)-NH2 as substrate preincubated for 10 mins followed by substrate addition measured for 30 mins by fluorometric assay
50020095	2	ChEMBL_2349328	Inhibition of SARS-CoV-2 3CLPro
50020095	3	ChEMBL_2349329	Inhibition of recombinant SARS-CoV-2 3CLPro DABCYL-KTSAVLQSGFRKM-E as substrate preincubated for 24 hrs followed by substrate addition measured for 1 hr by DTT assay
50020096	1	ChEMBL_2349339	Positive allosteric modulator activity at human C-terminal his 6 tagged NAMPT using NAM and PRPP as substrate by coupled enzymatic analysis
50020097	1	ChEMBL_2349356	Displacement of Olaparib-BDY FL from PARP1 (unknown origin) incubated for 4 hrs by FP assay
50020098	1	ChEMBL_2349429	Inhibition of TYK2 in HEK-Blue IL-23 cells pretreated for 60 mins followed by IL-23 stimulation for 22 to 24 hrs by Quanti-Blue based SEAP assay
50020098	2	ChEMBL_2349430	Inhibition of TYK2 in HEK-Blue alpha/beta cells pretreated for 60 mins followed by IFN-alpha stimulation for 16 to 18 hrs by Quanti-Blue based SEAP assay
50020099	1	ChEMBL_2349438	Inhibition of GST-tagged human SPOP MATH domain (28 to 166 residues) expressed in Escherichia coli BL21 CodonPlus (DE3)-RIPL cells using FITC-LACDEVTSTTSSSTA peptide as substrate assessed as inhibition of substrate binding to SPOP preincubated with compound for 30 mins followed by substrate addition and measured immediately by fluorescence polarization assay
50020099	2	ChEMBL_2349440	Binding affinity to GST-tagged human SPOP MATH domain (28 to 166 residues) expressed in Escherichia coli BL21 CodonPlus (DE3)-RIPL cells assessed as equilibrium dissociation constant by SPR analysis
50020100	1	ChEMBL_2349451	Inhibition of recombinant ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate by fluoroscence based assay
50020101	1	ChEMBL_2349462	Inhibition of human 8His tagged AEP using Z-Ala-Ala-Asn-Rhl 10-(D-Pro) as fluorogenic substrate incubated for 30 mins by fluorescence based analysis
50020102	1	ChEMBL_2349466	Inhibition of recombinant GST tagged RIPK1 (1 to 327 residues) (unknown origin) expressed in baculovirus transfected Sf21 cells using dephosphorylated-MBP as substrate preincubated for 30 mins followed by substrate addition and measured upto 150 mins in presence of ATP by ADP-glo luminescent assay
50020103	1	ChEMBL_2349467	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells harboring SEAP reporter transgene incubated for 18 hrs by quanti-blue reagent based assay
50020103	2	ChEMBL_2349468	Agonist activity at mouse TLR7
50020103	3	ChEMBL_2349473	Agonist activity at human TLR8
50020108	1	ChEMBL_2349514	Displacement of [125I]+/-DOI from human recombinant 5-HT2A receptor incubated for 60 mins by radiometric scintillation assay
50020109	1	ChEMBL_2349537	Binding affinity to CB1 receptor (unknown origin) assessed as inhibition constant
50020109	2	ChEMBL_2349538	Binding affinity to CB2 receptor (unknown origin) assessed as inhibition constant
50020110	1	ChEMBL_2349562	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP under irradiation with 365 nm UV light by ADP-Glo luminescent assay
50020110	2	ChEMBL_2349563	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP under dark condition by ADP-Glo luminescent assay
50020111	1	ChEMBL_2349596	Inhibition of rat nNOS transfected in HEK293 cells assessed as inhibition constant in presence of NADPH by spectrophotometric analysis
50020111	2	ChEMBL_2349597	Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition constant in presence of NADPH
50020111	3	ChEMBL_2349598	Inhibition of rat brain nNOS expressed in baculovirus infected sf9 cells measured after 72 hrs
50020111	4	ChEMBL_2349599	Inhibition of mouse iNOS overexpressed in Escherichia coli assessed as inhibition constant
50020111	5	ChEMBL_2349600	Inhibition of human nNOS assessed as inhibition constant
50020111	6	ChEMBL_2349601	Inhibition of rat nNOS
50020111	7	ChEMBL_2349602	Inhibition of mouse nNOS
50020111	8	ChEMBL_2349603	Inhibition of human nNOS assessed as dissociation constant
50020111	9	ChEMBL_2349604	Inhibition of human eNOS assessed as inhibition constant
50020111	10	ChEMBL_2349605	Inhibition of human iNOS assessed as inhibition constant
50020111	11	ChEMBL_2349606	Inhibition of human nNOS
50020111	12	ChEMBL_2349607	Inhibition of human iNOS expressed in baculovirus infected Spodoptera frugiperda cell using L-arginine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by oxyhaemoglobin assay
50020111	13	ChEMBL_2349608	Inhibition of human nNOS expressed in baculovirus infected Spodoptera frugiperda cell using L-arginine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by oxyhaemoglobin assay
50020111	14	ChEMBL_2349609	Inhibition of human eNOS expressed in baculovirus infected Spodoptera frugiperda cell using L-arginine as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by oxyhaemoglobin assay
50020111	15	ChEMBL_2349610	Inhibition of rat nNOS transfected in HEK293 cells assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion by liquid scintillation counting analysis
50020111	16	ChEMBL_2349612	Inhibition of mouse iNOS expressed in Escherichia coli assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion by liquid scintillation counting analysis
50020111	17	ChEMBL_2349613	Inhibition of human eNOS
50020111	18	ChEMBL_2349614	Inhibition of human iNOS
50020111	19	ChEMBL_2349615	Inhibition of rat brain nNOS expressed in baculovirus-infected Sf9 cells Escherichia coli assessed as reduction of [3H]-arginine to [3H]-citrulline conversion
50020111	20	ChEMBL_2349616	Inhibition of nNOS (unknown origin) assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	21	ChEMBL_2349617	Inhibition of iNOS (unknown origin) assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	22	ChEMBL_2349618	Inhibition of rat nNOS transfected in HEK293 cells assessed as inhibition constant
50020111	23	ChEMBL_2349620	Inhibition of nNOS in human DLD-1 cells assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	24	ChEMBL_2349621	Inhibition of eNOS in human DLD-1 cells assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	25	ChEMBL_2349622	Inhibition of iNOS in human DLD-1 cells assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	26	ChEMBL_2349624	Inhibition of bovine eNOS
50020111	27	ChEMBL_2349625	Inhibition of mouse iNOS
50020111	28	ChEMBL_2349626	Inhibition of human nNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	29	ChEMBL_2349627	Inhibition of human eNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	30	ChEMBL_2349628	Inhibition of human iNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion
50020111	31	ChEMBL_2349629	Inhibition of human eNOS overexpressed in baculovirus infected Sf21 cells assessed as inhibition constant
50020111	32	ChEMBL_2349630	Inhibition of recombinant human iNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH
50020111	33	ChEMBL_2349631	Inhibition of recombinant human nNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH
50020111	34	ChEMBL_2349632	Inhibition of recombinant human eNOS assessed as reduction of L-[14C]arginine to L-[14C]citrulline conversion in presence of NADPH
50020111	35	ChEMBL_2349633	Inhibition of human iNOS overexpressed in baculovirus infected Sf21 cells assessed as inhibition constant
50020111	36	ChEMBL_2349634	Inhibition of human nNOS transfected in baculovirus infected Sf9 cells assessed as reduction of [3H]L-arginine conversion to [3H]L-citrulline by scintillation counter analysis
50020111	37	ChEMBL_2349635	Inhibition of human eNOS transfected in baculovirus infected Sf9 cells assessed as reduction of [3H]L-arginine conversion to [3H]L-citrulline by scintillation counter analysis
50020111	38	ChEMBL_2349636	Inhibition of human iNOS transfected in baculovirus infected Sf9 cells assessed as reduction of [3H]L-arginine conversion to [3H]L-citrulline by scintillation counter analysis
50020111	39	ChEMBL_2349637	Inhibition of human nNOS assessed as reduction of L-[14C]arginine to L-[14C]-citrulline conversion
50020111	40	ChEMBL_2349638	Inhibition of human eNOS assessed as reduction of L-[14C]arginine to L-[14C]-citrulline conversion
50020111	41	ChEMBL_2349639	Inhibition of human iNOS assessed as reduction of L-[14C]arginine to L-[14C]-citrulline conversion
50020111	42	ChEMBL_2349640	Inhibition of recombinant mouse nNOS overexpressed in Escherichia coli assessed as inhibition constant
50020111	43	ChEMBL_2349641	Inhibition of recombinant mouse eNOS overexpressed in Escherichia coli assessed as inhibition constant
50020111	44	ChEMBL_2349649	Inhibition of N-terminal hexa-histidine tagged thrombin-cleavable rat arginase 1 expressed in Escherichia coli DE3 cells measured after 90 mins by colorimetric urea assay
50020111	45	ChEMBL_2349650	Inhibition of N-terminal hexa-histidine tagged thrombin-cleavable human arginase 1 expressed in Escherichia coli DE3 cells measured after 90 mins by colorimetric urea assay
50020111	46	ChEMBL_2349651	Inhibition of mouse arginase 1
50020111	47	ChEMBL_2349652	Inhibition of Sprague-Dawley rat liver arginase 1
50020111	48	ChEMBL_2349653	Inhibition of Sprague-Dawley rat liver arginase 1 assessed as inhibition constant
50020111	49	ChEMBL_2349655	Inhibition of human arginase 1 measured after 60 mins by calorimetric assay
50020111	50	ChEMBL_2349658	Inhibition of arginase 2 in human LNCaP cells
50020111	51	ChEMBL_2349659	Inhibition of full length recombinant human arginase 1 expressed in Escherichia coli
50020111	52	ChEMBL_2349660	Inhibition of human DDAH1 assessed as inhibition constant by microplate reader assay
50020111	53	ChEMBL_2349661	Inhibition of human DDAH1 using [14C]-L-NMMA as substrate assessed as reduction in [14C]-citrulline conversion measured after 1 hrs by by scintillation counting analysis
50020111	54	ChEMBL_2349662	Inhibition of human DDAH1 expressed in Escherichia coli BL21 cells assessed as inhibition constant measured after 30 mins by calorimetric assay
50020111	55	ChEMBL_2349663	Inhibition of human DDAH1 expressed in Escherichia coli BL21 cells measured after 30 mins by calorimetric assay
50020111	56	ChEMBL_2349664	Inhibition of recombinant human DDAH1 expressed in HEK293 cells using ADMA as substrate assessed as inhibition constant preincubated for 5 mins
50020111	57	ChEMBL_2349665	Inhibition of recombinant human DDAH1 expressed in HEK293 cells using ADMA as substrate preincubated for 5 mins
50020111	58	ChEMBL_2349666	Inhibition of human DDAH1 expressed using SMTC as substrate assessed as inhibition constant measured after 5 mins
50020111	59	ChEMBL_2349667	Inhibition of N-terminal His6-tagged human DDAH1 expressed in Escherichia coli Rosetta 2 DE3 cells assessed as inhibition constant by calorimetric assay
50020111	60	ChEMBL_2349668	Inhibition of N-terminal His6-tagged human DDAH1 transfected in HEK293T cells assessed as inhibition constant measured after 15 mins in presence of N-but-3-ynyl-2-chloroacetamidine
50020111	61	ChEMBL_2349669	Inhibition of N-terminal His6-tagged human DDAH1 expressed in Escherichia coli BL21 DE3 cells using L-Nva as substrate assessed as L-citrulline formation measured after 45 mins by colder assay
50020111	62	ChEMBL_2349670	Inhibition of human DDAH1 expressed using SMTC as substrate measured after 5 mins
50020111	63	ChEMBL_2349671	Inhibition of human DDAH1 assessed as inhibition constant
50020111	64	ChEMBL_2349673	Inhibition of human DDAH1
50020111	65	ChEMBL_2349675	Inhibition of human DDAH1 using SMTC as substrate by fluorimetric assay
50020111	66	ChEMBL_2349676	Inhibition of His-tagged human DDAH1 using SMTC as substrate assessed as inhibition constant
50020111	67	ChEMBL_2349677	Inhibition of N-terminal His6-tagged human DDAH1 expressed in Escherichia coli measured after 18 hrs
50020111	68	ChEMBL_2349678	Inhibition of recombinant human DDAH1 by HTS analysis
50020111	69	ChEMBL_2349679	Inhibition of human nNOS assessed as inhibition constant measured after 5 mins
50020113	1	ChEMBL_2349684	Covalent inhibition of recombinant ovine COX-1 using arachidonic acid as substrate assessed as reduction in PGE2 production preincubated with compound for 1 hrs followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50020113	2	ChEMBL_2349685	Covalent inhibition of recombinant ovine COX-1 using arachidonic acid as substrate assessed as reduction in PGE2 production preincubated with compound for 5 hrs followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50020113	3	ChEMBL_2349687	Non-covalent binding affinity to recombinant ovine COX1 using arachidonic acid as substrate assessed as binding constant preincubated with compound for 10 to 40 mins followed by substrate addition and measured after 10 mins by LC-MS/MS analysis
50020114	1	ChEMBL_2349702	Binding affinity to TEAD 3 (unknown origin) assessed as dissociation constant by fluorescence polarisation assay
50020114	2	ChEMBL_2349703	Binding affinity to TEAD 4 (unknown origin) assessed as dissociation constant by fluorescence polarisation assay
50020114	3	ChEMBL_2349704	Binding affinity to YAP WW domain (165 to 271 residues) (unknown origin) expressed in Escherichia coli Rosetta cells assessed as dissociation constant by yeast surface titration method
50020114	4	ChEMBL_2349705	Binding affinity to N-terminal YAP ( 1 to 291 residues) (unknown origin) expressed in Escherichia coli Rosetta cells assessed as dissociation constant by yeast surface titration method
50020114	5	ChEMBL_2349706	Binding affinity to His-tagged TEAD4 YAP-binding domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry
50020114	6	ChEMBL_2349711	Inhibition of YAP (unknown origin) incubated for 24 hrs by Promega Dual-Luciferase Reporter Assay
50020114	7	ChEMBL_2349714	Binding affinity to SA sensor chip immobilized N-terminal avi-tagged biotinylated TEAD2 YAP binding domain (unknown origin) assessed as binding constant by SPR analysis
50020114	8	ChEMBL_2349715	Inhibition of TEAD2 (unknown origin) palmitoylation in the presence of alkyne-palmitoyl-CoA
50020114	9	ChEMBL_2349716	Inhibition of N-terminal His-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-codonPlus (DE3)-RIPL cells by fluorescence polarisation assay
50020114	10	ChEMBL_2349718	Inhibition of Avi-His-tagged human TEAD4 (217 to 434 residues)/N-biotinylated-N-terminal Cy5-labelled human YAP (60 to 100 residues) incubated for 1 hr by TR FRET assay
50020114	11	ChEMBL_2349719	Binding affinity to CM5 chip immobilised N-terminal histidine -tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli (DE3) cells assessed as dissociation constant by SPR assay
50020114	12	ChEMBL_2349720	Inhibition of YAP in HEK293T cells incubated for 24 hrs by Promega Dual-Luciferase Reporter Assay
50020114	13	ChEMBL_2349728	Binding affinity to full-length His-tagged TEAD1 (unknown origin) assessed as dissociation constant by SPR assay
50020114	14	ChEMBL_2349729	Inhibition of FAM-labelled GST-tagged full-length YAP (60 to 99 residues)(unknown origin)/GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by fluorescence polarization assay
50020114	15	ChEMBL_2349730	Inhibition of FAM-labelled GST-tagged full-length YAP (60 to 99 residues)(unknown origin)/N-terminal His-tagged TEAD2(217 to 447 residues) (unknown origin)) expressed in Escherichia coli BL21 (DE3) cells by fluorescence polarization assay
50020114	16	ChEMBL_2349735	Inhibition of His-tagged TEAD1 (unknown origin) preincubated for 30 mins followed by biotinylated lipid pocket addition and measured after 60 mins by TR-FRET assay
50020114	17	ChEMBL_2349736	Inhibition of His-tagged TEAD2 (unknown origin) preincubated for 30 mins followed by biotinylated lipid pocket addition and measured after 60 mins by TR-FRET assay
50020114	18	ChEMBL_2349737	Inhibition of His-tagged TEAD3 (unknown origin) preincubated for 30 mins followed by biotinylated lipid pocket addition and measured after 60 mins by TR-FRET assay
50020114	19	ChEMBL_2349738	Inhibition of His-tagged TEAD4 (unknown origin) preincubated for 30 mins followed by biotinylated lipid pocket addition and measured after 60 mins by TR-FRET assay
50020114	20	ChEMBL_2349739	Inhibition of TEAD1 mediating gene expression in human MCF7 cells incubated overnight by luciferase reporter assay
50020114	21	ChEMBL_2349741	Inhibition of N-terminal 6xHis-tagged human TEAD1 auto palmitoylation (209 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells by ABPP assay
50020114	22	ChEMBL_2349742	Inhibition of N-terminal 6xHis-tagged human TEAD3 auto palmitoylation (209 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells by ABPP assay
50020114	23	ChEMBL_2349743	Inhibition of TEAD1 mediated gene transcription in human MCF7 cells incubated overnight by luciferase reporter assay
50020114	24	ChEMBL_2349748	Binding affinity to TEAD2 (unknown origin) assessed as dissociation constant
50020115	1	ChEMBL_2349752	Inhibition of NDM-1 (1 to 270 residues) (unknown origin) expressed in Escherichia coli Transetta (DE3) using FC5 as fluorescence substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50020117	1	ChEMBL_2349759	Inhibition of CDK9 (unknown origin) incubated for 10 mins
50020119	1	ChEMBL_2349796	Inhibition of TRKA (unknown origin)
50020119	2	ChEMBL_2349797	Inhibition of TRKB (unknown origin)
50020119	3	ChEMBL_2349798	Inhibition of TRKC (unknown origin)
50020119	4	ChEMBL_2349799	Inhibition of TRKA (unknown origin) by TR-FRET assay
50020119	5	ChEMBL_2349800	Inhibition of TRKB (unknown origin) by TR-FRET assay
50020119	6	ChEMBL_2349801	Inhibition of TRKC (unknown origin) by TR-FRET assay
50020119	7	ChEMBL_2349804	Inhibition of TRKA (unknown origin) incubated for 1 hr by mobility shift assay
50020119	8	ChEMBL_2349805	Inhibition of TRKB (unknown origin) incubated for 1 hr by mobility shift assay
50020119	9	ChEMBL_2349806	Inhibition of TRKC (unknown origin) incubated for 1 hr by mobility shift assay
50020121	1	ChEMBL_2349815	Inhibition of N-terminal GST-tagged/C-terminal 6His-tagged BRD4 BD1 (47 to 170 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using SGRGK(Ac)GGK(Ac)GLGK(Ac) GGAK(Ac)RHRK-biotinylated peptide as substrate incubated for 60 mins by alpha screen assay
50020121	2	ChEMBL_2349816	Inhibition of BRD4 BD2 (unknown origin) using SGRGK(Ac)GGK(Ac)GLGK(Ac) GGAK(Ac)RHRK-biotinylated peptide as substrate incubated for 60 mins by alpha screen assay
50020122	1	ChEMBL_2349849	Binding affinity to human galectin 3 by surface plasma resonance analysis
50020122	2	ChEMBL_2349850	Inhibition of human galectin 3 binding to human A549 cells incubated for 1 hr
50020123	1	ChEMBL_2349853	Binding affinity to KOR (unknown origin) assessed as inhibition constant
50020123	2	ChEMBL_2349854	Binding affinity to MOR (unknown origin) assessed as inhibition constant by radioligand binding assay
50020123	3	ChEMBL_2349857	Binding affinity to KOR (unknown origin)
50020123	4	ChEMBL_2349858	Displacement of [35S]GTPgammaS binding from human KOR assessed as inhibition constant
50020123	5	ChEMBL_2349859	Binding affinity to KOR (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50020123	6	ChEMBL_2349860	Binding affinity to KOR in Guinea pig brain assessed as inhibition constant
50020123	7	ChEMBL_2349863	Binding affinity to KOR receptor (unknown origin) assessed as inhibition constant
50020123	8	ChEMBL_2349866	Binding affinity to DOR (unknown origin) assessed as inhibition constant by ratio ligand binding assay
50020123	9	ChEMBL_2349867	Binding affinity to human KOR receptor stably expressed in HEK293 cells assessed as inhibition constant by GTPgammaS assay
50020123	10	ChEMBL_2349868	Binding affinity to human MOR expressed in HEK293 cells assessed as inhibition constant by GTPgammaS assay
50020123	11	ChEMBL_2349869	Binding affinity to human DOR expressed in HEK293 cells assessed as inhibition constant by GTPgammaS assay
50020123	12	ChEMBL_2349873	Binding affinity to wild type human KOR assessed as inhibition constant
50020123	13	ChEMBL_2349876	Binding affinity to human KOR expressed in HEK293 cells assessed as inhibition constant incubated for 90 mins by liquid scintillation assay
50020123	14	ChEMBL_2349877	Binding affinity to human KOR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by HTRF assay
50020123	15	ChEMBL_2349878	Binding affinity to human DOR assessed as inhibition constant
50020123	16	ChEMBL_2349892	Binding affinity human DOR expressed in CHO cells assessed as inhibition constant by radio ligand binding assay
50020123	17	ChEMBL_2349895	Binding affinity to human recombinant KOR assessed as inhibition constant
50020123	18	ChEMBL_2349902	Agonist activity at MOR (unknown origin)
50020124	1	ChEMBL_2349913	Inhibition of recombinant Mycobacterium tuberculosis TMPK overexpressed in Escherichia coli assessed as inhibition constant by coupled spectrophotometric assay
50020124	2	ChEMBL_2349914	Inhibition of Mycobacterium tuberculosis TMPK assessed as inhibition constant by coupled spectrophotometric assay
50020124	3	ChEMBL_2349916	Inhibition of Mycobacterium tuberculosis TMPK assessed as inhibition constant
50020124	4	ChEMBL_2349917	Inhibition of human TMPK assessed as inhibition constant
50020124	5	ChEMBL_2349918	Inhibition of recombinant Mycobacterium tuberculosis TMPK overexpressed in Escherichia coli assessed as inhibition constant by spectrophotometric assay
50020124	6	ChEMBL_2349924	Inhibition of human ADK
50020124	7	ChEMBL_2349925	Inhibition of Mycobacterium tuberculosis ADK
50020125	1	ChEMBL_2349999	Inhibition of human SIRT5 by fluorescence based analysis
50020125	2	ChEMBL_2350000	Inhibition of human SIRT5 in presence of 800 uM NAD+ by fluorescence based analysis
50020125	3	ChEMBL_2350001	Inhibition of human SIRT5 in presence of 400 uM NAD+ by fluorescence based analysis
50020125	4	ChEMBL_2350002	Inhibition of human SIRT5 in presence of 200 uM NAD+ by fluorescence based analysis
50020125	5	ChEMBL_2350003	Inhibition of human SIRT5 in presence of 100 uM NAD+ by fluorescence based analysis
50020125	6	ChEMBL_2350004	Inhibition of human SIRT5 in presence of 50 uM NAD+ by fluorescence based analysis
50020125	7	ChEMBL_2350005	Inhibition of human SIRT5 in presence of 270 uM Ac-K(Suc)-AMC by fluorescence based analysis
50020125	8	ChEMBL_2350006	Inhibition of human SIRT5 in presence of 90 uM Ac-K(Suc)-AMC by fluorescence based analysis
50020125	9	ChEMBL_2350007	Inhibition of human SIRT5 in presence of 30 uM Ac-K(Suc)-AMC by fluorescence based analysis
50020125	10	ChEMBL_2350008	Inhibition of human SIRT5 in presence of 10 uM Ac-K(Suc)-AMC by fluorescence based analysis
50020125	11	ChEMBL_2350009	Inhibition of human SIRT5 incubated for 35 mins in presence of NAD by absorbance based analysis
50020125	12	ChEMBL_2350014	Binding affinity to human SIRT5 expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant in presence of NAD by isothermal calorimetry analysis
50020125	13	ChEMBL_2350015	Inhibition of human SIRT5
50020127	1	ChEMBL_2350187	Inhibition of Staphylococcus aureus GyrB measured after 30 mins in presence of ATP
50020128	1	ChEMBL_2350266	Inhibition of human N-terminal Ecto-5'-nucleotidase
50020128	2	ChEMBL_2350268	Inhibition of human recombinant CD73
50020128	3	ChEMBL_2350272	Binding affinity to human recombinant CD73 assessed as inhibition constant
50020128	4	ChEMBL_2350273	Inhibition of recombinant CD73 (unknown origin)
50020128	5	ChEMBL_2350274	Binding affinity to recombinant human CD73 expressed in Sf9 cells preincubated for 25 mins and measured after 30 mins by liquid scintillation method
50020128	6	ChEMBL_2350275	Binding affinity to C-terminal His6-tagged human recombinant CD73 in HEK293 cells assessed as inhibition constant
50020128	7	ChEMBL_2350276	Inhibition of human CD73
50020128	8	ChEMBL_2350277	Inhibition of human CD73 expressed in A-375 cells
50020128	9	ChEMBL_2350278	Inhibition of human TNAP
50020128	10	ChEMBL_2350279	Inhibition of rat Ecto-5'-nucleotidase
50020128	11	ChEMBL_2350282	Inhibition of mouse Ecto-5'-nucleotidase
50020128	12	ChEMBL_2350285	Inhibition of human Ecto-5'-nucleotidase preincubated for 10 mins and measured after 1 hr
50020128	13	ChEMBL_2350289	Inhibition of human recombinant Ecto-5'-nucleotidase
50020128	14	ChEMBL_2350290	Binding affinity to human recombinant Ecto-5'-nucleotidase assessed as inhibition constant
50020131	1	ChEMBL_2350291	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50020131	2	ChEMBL_2350292	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50020131	3	ChEMBL_2350294	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by absorbance based analysis
50020131	4	ChEMBL_2350295	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 30 mins by spectrophotometric analysis
50020131	5	ChEMBL_2350297	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by absorbance based analysis
50020131	6	ChEMBL_2350298	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	7	ChEMBL_2350299	Inhibition of Saccharomyces cerevisiae alpha-glucosidase
50020131	8	ChEMBL_2350300	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	9	ChEMBL_2350301	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as inhibition constant
50020131	10	ChEMBL_2350302	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured by absorbance based analysis
50020131	11	ChEMBL_2350303	Reversible non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 10 mins followed by substrate addition and measured by absorbance based analysis
50020131	12	ChEMBL_2350306	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by absorbance based microplate reader analysis
50020131	13	ChEMBL_2350307	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured by microplate reader analysis
50020131	14	ChEMBL_2350309	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate assessed as inhibition constant preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	15	ChEMBL_2350310	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by absorbance based microplate reader analysis
50020131	16	ChEMBL_2350312	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	17	ChEMBL_2350313	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by alpha-glucosidase addition and measured after 15 mins by UV-visible spectrophotometric analysis
50020131	18	ChEMBL_2350316	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50020131	19	ChEMBL_2350319	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50020131	20	ChEMBL_2350320	Inhibition of Saccharomyces cerevisiae recombinant alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by microplate reader based analysis
50020131	21	ChEMBL_2350321	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate by spectrophotometric analysis
50020131	22	ChEMBL_2350324	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-beta-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by absorbance based microplate reader analysis
50020131	23	ChEMBL_2350325	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-beta-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by absorbance based microplate reader analysis
50020131	24	ChEMBL_2350327	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate
50020131	25	ChEMBL_2350328	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate assessed as inhibition constant
50020131	26	ChEMBL_2350330	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by absorbance based microplate reader analysis
50020131	27	ChEMBL_2350332	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 20 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50020131	28	ChEMBL_2350333	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate by spectroscopic analysis
50020131	29	ChEMBL_2350334	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	30	ChEMBL_2350337	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated with compound followed by substrate addition and measured after 30 mins by absorbance based analysis
50020131	31	ChEMBL_2350338	Inhibition of Saccharomyces cerevisiae alpha-glucosidase by absorbance based microplate reader analysis
50020131	32	ChEMBL_2350341	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by absorbance based microplate reader analysis
50020131	33	ChEMBL_2350354	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based analysis
50020131	34	ChEMBL_2350359	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by multiplate reader analysis
50020131	35	ChEMBL_2350360	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based analysis
50020131	36	ChEMBL_2350362	Un-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	37	ChEMBL_2350363	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	38	ChEMBL_2350365	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based microplate reader analysis
50020131	39	ChEMBL_2350372	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured by spectrophotometric analysis
50020131	40	ChEMBL_2350373	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric analysis
50020131	41	ChEMBL_2350374	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl glucopyranoside as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 20 mins by spectrophotometric analysis
50020131	42	ChEMBL_2350376	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 15 mins followed by substrate addition and measured after 30 mins by multiplate reader analysis
50020131	43	ChEMBL_2350382	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant preincubated for 10 mins followed by substrate addition and measured by spectrophotometric analysis
50020131	44	ChEMBL_2350383	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate incubated for 15 mins by UV-visible spectrophotometric analysis
50020133	1	ChEMBL_2350392	Inhibition of PLK1 (unknown origin)
50020133	2	ChEMBL_2350393	Inhibition of N-terminal GST-tagged recombinant human PLK1 (1 to 603 residues) expressed in baculovirus expression system using bovine casein as substrate in presence of [gamma-32P]ATP incubated for 45 mins by radiometric assay
50020133	3	ChEMBL_2350394	Inhibition of PLK1 (unknown origin) by ATP competitive assay
50020133	4	ChEMBL_2350395	Inhibition of PLK1 (unknown origin) using biotinylated-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay
50020133	5	ChEMBL_2350396	Inhibition of PLK1 (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo assay
50020133	6	ChEMBL_2350445	Inhibition of PLK2 (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo assay
50020133	7	ChEMBL_2350446	Inhibition of PLK3 (unknown origin) preincubated for 10 mins followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo assay
50020133	8	ChEMBL_2350449	Inhibition of BRD4 (unknown origin) using BET peptide as substrate incubated for 15 mins by HTRF assay
50020135	1	ChEMBL_2350497	Inhibition of P2X7 (unknown origin) assessed as reduction in IL-1 beta release
50020135	2	ChEMBL_2350498	Inhibition of P2X7 in human THP-1cells assessed as reduction in YO-PRO-1 iodide dye uptake measured after 24 hrs by fluorescence based assay
50020135	3	ChEMBL_2350503	Inhibition of human P2X7 receptor in HEK cells by fluorescence based calcium influx assay
50020135	4	ChEMBL_2350504	Inhibition of mouse P2X7 receptor in HEK cells by fluorescence based calcium influx assay
50020135	5	ChEMBL_2350505	Inhibition of mouse P2X7 receptor expressed in xenopus laevis Oocyte cells by TEVC analysis
50020135	6	ChEMBL_2350506	Antagonist activity at human P2X7 receptor expressed in HEK293 by fluorescence plate reader analysis
50020135	7	ChEMBL_2350507	Inhibition of human P2X7 receptor transfected in HEK293 cells by calcium influx assay
50020135	8	ChEMBL_2350508	Inhibition of rat P2X7 receptor transfected in HEK293 cells by calcium influx assay
50020135	9	ChEMBL_2350509	Inhibition of human P2X7 receptor expressed in HEK293 cells by FLIPR assay
50020135	10	ChEMBL_2350510	Inhibition of rat P2X7 receptor expressed in HEK293 cells by FLIPR assay
50020135	11	ChEMBL_2350511	Inhibition of human P2X7 receptor expressed in HEK293 cells incubated for 5 mins followed by Bz-ATP addition measured after 3 mins by fluorescence based assay
50020135	12	ChEMBL_2350512	Inhibition of mouse P2X7 receptor expressed in HEK293 cells incubated for 5 mins followed by Bz-ATP addition measured after 3 mins by fluorescence based assay
50020135	13	ChEMBL_2350513	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells by FLIPR assay
50020135	14	ChEMBL_2350514	Antagonist activity at human P2X7 receptor
50020135	15	ChEMBL_2350515	Antagonist activity at human P2X7 receptor by calcium flux assay
50020135	16	ChEMBL_2350516	Antagonist activity at rat P2X7 receptor by calcium flux assay
50020135	17	ChEMBL_2350517	Antagonist activity at mouse P2X7 receptor by calcium flux assay
50020135	18	ChEMBL_2350518	Inhibition of recombinant human P2X7 receptor by FLIPR assay
50020135	19	ChEMBL_2350519	Inhibition of recombinant rat P2X7 receptor by FLIPR assay
50020135	20	ChEMBL_2350520	Antagonist activity at recombinant human P2X7 receptor expressed in 1321N1 cells measured after 30 mins by fluorescence based calcium flux assay
50020135	21	ChEMBL_2350521	Antagonist activity at recombinant rat P2X7 receptor expressed in 1321N1 cells measured after 30 mins by fluorescence based calcium flux assay
50020135	22	ChEMBL_2350522	Antagonist activity at P2X7 receptor in human THP-1 cells assessed as reduction in ATP induced IL-1 beta release
50020135	23	ChEMBL_2350523	Antagonist activity at P2X7 receptor in mouse Peritoneal macrophage cells assessed as reduction in ATP induced IL-1 beta release
50020135	24	ChEMBL_2350527	Antagonist activity at P2X7 in human THP-1 cells
50020135	25	ChEMBL_2350528	Antagonist activity at human P2X7 receptor in human blood assessed as ATP induced IL-1 beta
50020136	1	ChEMBL_2350533	Inhibition of CDC42 activation in human MDA-MB-231 cells treated for 24 hrs by Western blot analysis
50020136	2	ChEMBL_2350542	Inhibition of N-terminus hexa-histidine tagged recombinant human IDO1 expressed in Escherichia coli M15 incubated for 1 hr by UV-visible spectrophotometric analysis
50020137	1	ChEMBL_2350637	Inhibition of RSK1 (unknown origin)
50020137	2	ChEMBL_2350638	Inhibition of RSK2 (unknown origin)
50020137	3	ChEMBL_2350639	Inhibition of recombinant His-tagged RSK2 (unknown origin) expressed in Sf9 cells
50020137	4	ChEMBL_2350641	Inhibition of wild type RSK2 (unknown origin)
50020137	5	ChEMBL_2350642	Inhibition of human recombinant RSK2
50020137	6	ChEMBL_2350643	Inhibition of human RSK2 in MCF7 cells
50020137	7	ChEMBL_2350644	Inhibition of RSK2 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr by luciferase analysis
50020137	8	ChEMBL_2350645	Inhibition of human RSK2
50020137	9	ChEMBL_2350646	Inhibition of RSK3 (unknown origin)
50020137	10	ChEMBL_2350647	Inhibition of RSK2 expressed in human MCF7 cells incubated for 1 hrs by
50020137	11	ChEMBL_2350648	Inhibition of RSK4 (unknown origin)
50020138	1	ChEMBL_2350674	Inhibition of human VEGFR2 using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	2	ChEMBL_2350675	Inhibition of human PDGFRbeta using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	3	ChEMBL_2350676	Inhibition of human c-Kit using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	4	ChEMBL_2350677	Inhibition of human FGFR1 using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	5	ChEMBL_2350678	Inhibition of human FLT3 using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	6	ChEMBL_2350679	Inhibition of human CSF1R using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020138	7	ChEMBL_2350680	Inhibition of human EGFR using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50020139	1	ChEMBL_2350725	Inhibition of Influenza A virus A/PuertoRico/8/1934 (H1N1) neuraminidase using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUNANA) as Fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based microplate reader analysis
50020139	2	ChEMBL_2350726	Inhibition of Influenza A virus A/Babo1/36/2005 (H3N2) neuraminidase using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUNANA) as Fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based microplate reader analysis
50020139	3	ChEMBL_2350729	Inhibition of Influenza A virus A/Anhui/1/2005 (H5N1) neuraminidase H274Y mutant using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUNANA) as Fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based microplate reader analysis
50020139	4	ChEMBL_2350730	Inhibition of Influenza A virus A/California/04/2009 (H5N1) neuraminidase H274Y mutant using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUNANA) as Fluorogenic substrate preincubated for 10 mins followed by substrate addition by fluorescence based microplate reader analysis
50020142	1	ChEMBL_2350784	Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS using L-idose as substrate by NADPH oxidation based absorbance analysis
50020142	2	ChEMBL_2350785	Inhibition of human recombinant PTP1B using pNPP as substrate by spectrophotometric analysis
50020142	3	ChEMBL_2350786	Inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS using pNPP as substrate by spectrophotometric analysis
50020142	4	ChEMBL_2350788	Inhibition of N-terminal polyHis-tagged human recombinant TC-PTPb (1 to 415 residues) expressed in Escherichia coli BL21(DE3)pLysS
50020142	5	ChEMBL_2350792	Non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for EI complex using pNPP as substrate by Lineweaver-Burk plot analysis
50020142	6	ChEMBL_2350793	Mixed non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for EI complex using pNPP as substrate by Lineweaver-Burk plot analysis
50020142	7	ChEMBL_2350794	Non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for ESI complex using pNPP as substrate by Lineweaver-Burk plot analysis
50020142	8	ChEMBL_2350795	Mixed non-competitive inhibition of N-terminal polyHis-tagged human PTP1B1 (1 to 303 residues) expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for ESI complex using pNPP as substrate by Lineweaver-Burk plot analysis
50020142	9	ChEMBL_2350796	Mixed non-competitive inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for EI complex using L-idose as substrate by secondary plot analysis
50020142	10	ChEMBL_2350797	Mixed non-competitive inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS assessed as apparent dissociation constant for ESI complex using L-idose as substrate by secondary plot analysis
50020145	1	ChEMBL_2350817	Inhibition of pig brain tubulin polymerization incubated for 24 hrs by spectrophotometric method
50020146	1	ChEMBL_2350932	Inhibition of human RNMT assessed as inhibition constant
50020146	2	ChEMBL_2350943	Inhibition of human RNMT using GpppAC4 and [3H]AdoMet as substrate incubated for 30 mins by liquid scintillation counter analysis
50020147	1	ChEMBL_2350966	Agonist activity at N-terminal FLAG-tagged human LPS2/P2Y10 V159F mutant transfected in HEK293-A cells co-transfected with AP-TGFalpha assessed as AP-TGFalpha release by TGFalpha shedding assay
50020147	2	ChEMBL_2350968	Agonist activity at N-terminal FLAG-tagged human LPS2/P2Y10 A163F mutant transfected in HEK293-A cells co-transfected with AP-TGFalpha assessed as AP-TGFalpha release by TGFalpha shedding assay
50020148	1	ChEMBL_2350998	Inhibition of SARS-CoV-2 RdRp transfected in HEK293T cells incubated for 24 hrs by CCK-8 assay
50020148	2	ChEMBL_2350999	Inhibition of SARS-CoV-2 RdRp transfected in human A549 cells incubated for 24 hrs by CCK-8 assay
50020148	3	ChEMBL_2351003	Inhibition of SARS-CoV-2 RdRp expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based assay
50020149	1	ChEMBL_2351008	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) incubated for 34 mins by fluorescence polarization assay
50020149	2	ChEMBL_2351009	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) preincubated for 30 mins followed by Terbium labeled anti-His antibody addition for 30 mins prior to fluorescein labeled-9mer Nrf2 peptide addition and measured after 60 mins by TR-FRET assay
50020150	1	ChEMBL_2351019	Binding affinity to MDM2 (1 to 118 residues) (unknown origin) assessed as inhibition constant incubated for 1 hr measured by fluorescence polarization assay
50020150	2	ChEMBL_2351024	Binding affinity to MDMX (1 to 118 residues) (unknown origin) assessed as inhibition constant incubated for 1 hr measured by fluorescence polarization assay
50020151	1	ChEMBL_2351060	Inhibition of PARP1 (unknown origin)
50020151	2	ChEMBL_2351061	Binding affinity to PARP1 (unknown origin) assessed as dissociation constant
50020151	3	ChEMBL_2351062	Binding affinity to PARP1 (unknown origin) assessed as dissociation constant incubated for 30 mins by streptavidin pulldown based Western blot analysis
50020151	4	ChEMBL_2351063	Binding affinity to TNKS1 (unknown origin) assessed as dissociation constant incubated for 30 mins by streptavidin pulldown based Western blot analysis
50020151	5	ChEMBL_2351064	Inhibition of PARP1 (unknown origin) incubated for 60 mins by ELISA assay
50020151	6	ChEMBL_2351065	Inhibition of PARP1 (unknown origin) using Streptavidin-HRP as substrate incubated for 1 hr by absorbance based analysis
50020151	7	ChEMBL_2351066	Inhibition of PARP1 CD (unknown origin) by colorimetric assay
50020151	8	ChEMBL_2351067	Inhibition of human N-terminal His6-tagged PARP1 CD (662 to 1011 residues) expressed in Escherichia coli BL21 incubated for 60 mins by chemiluminescent assay
50020151	9	ChEMBL_2351068	Inhibition of PARP1 (unknown origin) incubated for 60 mins by absorbance based analysis
50020152	1	ChEMBL_2351069	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 1 min by spectrophotometry based Ellman's method
50020152	2	ChEMBL_2351071	Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 1 min by spectrophotometry based Ellman's method
50020152	3	ChEMBL_2351073	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 1 min by Ellman's method
50020152	4	ChEMBL_2351074	Inhibition of recombinant human BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured after 1 min by Ellman's method
50020152	5	ChEMBL_2351076	Competitive inhibition of human BuChE using butyrylthiocholine iodide as substrate assessed as inhibition constant preincubated with enzyme for 5 mins followed by substrate addition and measured after 1 min by by Lineweaver-Burk plot based Ellman's method
50020153	1	ChEMBL_2351361	Agonist activity at Gal4-fused FXR LBD (unknown origin) transfected in HEK293T cells co-transfected with Peak12-Gal4UAS-luci assessed as receptor transactivation incubated for 24 hrs by luciferase reporter gene assay
50020153	2	ChEMBL_2351362	Agonist activity at FXR (unknown origin) assessed as SRC2 recruitment by LanthaScreen TR-FRET FXR coactivator assay
50020154	1	ChEMBL_2351599	Inhibition of pIRS-1 peptide activated human wild type SHP2 FL (Met1 to Leu525 residues) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by microplate reader method
50020154	2	ChEMBL_2351604	Inhibition of human SHP2 in human NCI-H1975 cells assessed as reduction in ERK phosphorylation by Western blot analysis
50020154	3	ChEMBL_2351610	Inhibition of human SHP2 in human NCI-H1975/OSIR cells assessed as reduction in ERK phosphorylation by Western blot analysis
50020155	1	ChEMBL_2351641	Inhibition of recombinant Pseudomonas aeruginosa LpxC expressed in Escherichia coli
50020155	2	ChEMBL_2351644	Inhibition of Escherichia coli LpxC assessed as inhibition constant measured after 30 mins by fluorescence based microplate assay
50020155	3	ChEMBL_2351645	Inhibition of Escherichia coli LpxC measured after 30 mins by fluorescence based microplate assay
50020155	4	ChEMBL_2351653	Inhibition of Aquifex aeolicus LpxC transformed in Escherichia coli BL21(DE3) pLysS cells
50020155	5	ChEMBL_2351654	Inhibition of Escherichia coli LpxC
50020156	1	ChEMBL_2351661	Displacement of [3H]-spiperone from human D2s receptor expressed in CHO-K1 cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020156	2	ChEMBL_2351662	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020156	3	ChEMBL_2351663	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020156	4	ChEMBL_2351667	Displacement of [3H]-Mesulergine from human 5-HT2C expressed in HeLa cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020156	5	ChEMBL_2351668	Displacement of [3H]-Pyrilamine from human histamine H1 expressed in CHO-K1 cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020156	6	ChEMBL_2351669	Displacement of [3H]-Pirenzepine from human muscarinic M1 expressed in CHO-K1 cells membrane incubated for 1 hr by microbeta liquid scintillation counting analysis
50020157	1	ChEMBL_2351710	Inhibition of N-terminal GST-tagged human recombinant wild type TRKA (440 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by HTRF assay
50020157	2	ChEMBL_2351711	Inhibition of N-terminal GST-tagged human recombinant TRKA G595R mutant (440 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by HTRF assay
50020157	3	ChEMBL_2351712	Inhibition of N-terminal His-tagged human recombinant TRKC (507 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 40 mins in presence of ATP by HTRF assay
50020157	4	ChEMBL_2351713	Inhibition of N-terminal GST-tagged human recombinant TRKA F589L mutant (440 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by HTRF assay
50020157	5	ChEMBL_2351714	Inhibition of N-terminal GST-tagged human recombinant TRKA G667C mutant (440 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by HTRF assay
50020158	1	ChEMBL_2351818	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB based Ellman's method
50020158	2	ChEMBL_2351819	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB based Ellman's method
50020158	3	ChEMBL_2351820	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by DTNB based Ellman's method
50020158	4	ChEMBL_2351826	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as inhibition constant of second plot of slope preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method based double reciprocal Lineweaver-Burk plot analysis
50020158	5	ChEMBL_2351827	Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as inhibition constant of second plot of intercept preincubated for 5 mins followed by substrate addition and measured after 5 mins by Ellman's method based double reciprocal Lineweaver-Burk plot analysis
50020159	1	ChEMBL_2351840	Inhibition of MPS1 (unknown origin)
50020159	2	ChEMBL_2351841	Inhibition of Mps1 (unknown origin) pretreated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-glo kinase assay
50020160	1	ChEMBL_2351931	Inhibition of full length LSD1 (unknown origin) using H3K4me2 peptide as substrate incubated for 30 mins
50020160	2	ChEMBL_2351932	Binding affinity to full length LSD1 (unknown origin) assessed as inhibition constant using H3K4me2 peptide as substrate incubated for 30 mins
50020161	1	ChEMBL_2351976	Inhibition of full-length recombinant human CDC25A using OMFP as substrate incubated for 5 to 8 mins by fluorescence based assay
50020161	2	ChEMBL_2351977	Inhibition of full-length recombinant human CDC25B using OMFP as substrate incubated for 5 to 8 mins by fluorescence based assay
50020161	3	ChEMBL_2351978	Inhibition of full-length recombinant human CDC25C using OMFP as substrate incubated for 5 to 8 mins by fluorescence based assay
50020162	1	ChEMBL_2352011	Displacement of 1,8-ANS from FABP4 (unknown origin) assessed as inhibition constant by fluorescence based analysis
50020162	2	ChEMBL_2352015	Displacement of 1,8-ANS from FABP3 (unknown origin) assessed as inhibition constant by fluorescence based analysis
50020163	1	ChEMBL_2352045	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) cells using DABCYL-KTSAVLQSGFRKM-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by FRET assay
50020163	2	ChEMBL_2352060	Covalent binding affinity to SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) cells after 30 mins by FRET assay
50020164	1	ChEMBL_2352063	Antagonist activity against LTB4 receptor in human U-937 cells incubated for 40 mins by liquid scintillation counting method
50020164	2	ChEMBL_2352082	Antagonist activity against LTB4 receptor in human Neutrophil incubated for 90 mins by liquid scintillation counting method
50020164	3	ChEMBL_2352083	Antagonist activity against LTB4 receptor in human Neutrophil incubated for 10 mins by liquid scintillation spectrometry
50020164	4	ChEMBL_2352084	Antagonist activity against LTB4 receptor (unknown origin) assessed as inhibition constant
50020165	1	ChEMBL_2352085	Inhibition of human BuChE by Ellman's method
50020165	2	ChEMBL_2352086	Inhibition of human AChE by Ellman's method
50020165	3	ChEMBL_2352087	Inhibition of human MAO-B by fluorometric assay
50020165	4	ChEMBL_2352092	Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method
50020165	5	ChEMBL_2352094	Inhibition of cellular tau (unknown origin) aggregation incubated for 2 hrs by FRET assay
50020166	1	ChEMBL_2352312	Inhibition of spermidine-induced human pro-PHBP autoactivation
50020169	1	ChEMBL_2352415	Inhibition of DPP4 in human plasma using GP-BAN as fluorescent substrate preincubated for 5 mins followed by substrate addition and measured for 20 mins by microplate reader analysis
50020169	2	ChEMBL_2352416	Mixed type inhibition of DPP4 (unknown origin) using varying concentrations of GP-BAN as substrate assessed as inhibition constant
50020169	3	ChEMBL_2352421	Inhibition of recombinant human FAP using Z-GP-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50020169	4	ChEMBL_2352422	Inhibition of recombinant thrombin in human plasma using Z-Gly-Gly-Aly AMC as substrate preincubated for 3 mins followed by substrate addition and measured for 30 mins by microplate reader analysis
50020169	5	ChEMBL_2352423	Inhibition of recombinant human DPP9 using Z-GP-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50020169	6	ChEMBL_2352424	Inhibition of recombinant human PREP using Z-GP-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50020169	7	ChEMBL_2352425	Inhibition of recombinant human DPP4 using GP-BAN as substrate preincubated for 5 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50020170	1	ChEMBL_2352456	Inhibition of HER2 (unknown origin) incubated for 40 mins by by Kinase-Glo Max assay
50020171	1	ChEMBL_2352479	Inhibition of human Keap1 KELCH domain (321 to 609 residues) expressed in Escherichia coli BL21 DE3 pLysS cells/Nrf2 (unknown origin) protein-protein interaction preincubated with Keap1for 1 hr followed by Nrf2 ligand addition and measured for 1 hr by fluorescence polarisation assay
50020171	2	ChEMBL_2352480	Inhibition of Keap1 (unknown origin)/Nrf2 (unknown origin) protein-protein interaction assessed as inhibition constant by fluorescence anisotropy assay
50020171	3	ChEMBL_2352481	Inhibition of Keap1 Kelch domain (unknown origin)/FITC-labelled-9mer Nrf2 (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarisation assay
50020171	4	ChEMBL_2352483	Binding affinity to CM5 chip immobilized GST-tagged mouse KEAP1 Kelch domain (322 to 624 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant incubated for 60 sec by SPR assay
50020172	1	ChEMBL_2352488	Inhibition of human HPK1 catalytic domain (1 to 346 residues) using His-tagged SLP76 as substrate assessed as reduction in substrate phosphorylation preincubated for 30 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50020173	1	ChEMBL_2352489	Inhibition of p97 (unknown origin) ATPase activity by Biomol Green Reagent based microplate reader analysis
50020173	2	ChEMBL_2352490	Inhibition of p97 in human HeLa cells expressing UbG76V-GFP/ODD-Luc assessed as accumulation of Ub-GFP incubated for 6 hrs by confocal microscopic analysis
50020174	1	ChEMBL_2352515	Inhibition of human DGK alpha using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assay
50020174	2	ChEMBL_2352516	Inhibition of human DGK beta using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assay
50020174	3	ChEMBL_2352517	Inhibition of human DGK gamma using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assay
50020174	4	ChEMBL_2352518	Inhibition of human DGK kappa using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo kinase assay
50020174	5	ChEMBL_2352519	Inhibition of human DGK zeta using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo kinase assay
50020174	6	ChEMBL_2352520	Inhibition of human DGK iota using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo kinase assay
50020174	7	ChEMBL_2352537	Inhibition of DGK alpha (unknown origin)
50020175	1	ChEMBL_2352538	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in pyroptosis preincubated for 3 hrs followed by nigericin addition and measured after 1 hr by resazurin dye based microplate reader analysis
50020177	1	ChEMBL_2352540	Negative allosteric modulator activity at human wildtype KGA incubated for 5 hrs in presence of GDH and NADP by EZMTT assay
50020177	2	ChEMBL_2352541	Negative allosteric modulator activity at Escherichia coli TrxR using DTNB as substrate preincubated for 20 mins followed by substrate addition in presence of NADPH and measured after 60 mins
50020177	3	ChEMBL_2352550	Negative allosteric modulator activity at human wildtype KGA using glutamine as substrate preincubated for 1 hr followed by substrate addition in presence of GDH and NADP and measured after 4 hrs by EZMTT reagent based dilution assay
50020181	1	ChEMBL_2352565	Inhibition of human DHODH using DHO and CoQ6 as substrate by DCIP dye based spectrophotometric analysis
50020182	1	ChEMBL_2352567	Inhibition of biotin-tagged Cbl-b (unknown origin) assessed as reduction in LCK ubiquitination using His-LCK as substrate preincubated for 60 mins followed by substrate addition in presence of ATP, MgCl2 and measured after 90 mins by HTRF assay
50020186	1	ChEMBL_2352568	Binding affinity to his-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50020186	2	ChEMBL_2352569	Binding affinity to Avi-tagged DCAF1 (1073 to 1399 residues) (unknown origin) expressed in baculovirus infected in Sf9 insect cells by SPR analysis
50020186	3	ChEMBL_2352570	Binding affinity to Avi-tagged DCAF1 (1039 to 1401 residues) (unknown origin) expressed in baculovirus infected in Sf9 insect cells by NMR analysis
50020186	4	ChEMBL_2352572	Binding affinity to his-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using H3K27me3 as substrate assessed as dissociation constant
50020187	1	ChEMBL_2352573	Inhibition of RIPK1 (unknown origin)
50020187	2	ChEMBL_2352574	Inhibition of FLT3 (unknown origin)
50020187	3	ChEMBL_2352575	Inhibition of FLT3 D835Y (unknown origin)
50020187	4	ChEMBL_2352576	Inhibition of wildtype FLT3 (unknown origin)
50020187	5	ChEMBL_2352582	Inhibition of TRKA (unknown origin)
50020187	6	ChEMBL_2352583	Binding affinity to nucleotide Y5 receptor (unknown origin) assessed as inhibition constant
50020187	7	ChEMBL_2352584	Inhibition of BRAF (unknown origin)
50020187	8	ChEMBL_2352585	Inhibition of FGFR1 (unknown origin)
50020187	9	ChEMBL_2352586	Inhibition of FGFR2 (unknown origin)
50020187	10	ChEMBL_2352587	Inhibition of FGFR3 (unknown origin)
50020187	11	ChEMBL_2352588	Inhibition of FGFR4 (unknown origin)
50020187	12	ChEMBL_2352589	Inhibition of BTK (unknown origin)
50020187	13	ChEMBL_2352590	Binding affinity to adenosine receptor A2a (unknown origin) assessed as inhibition constant
50020187	14	ChEMBL_2352591	Binding affinity to adenosine receptor A1 (unknown origin) assessed as inhibition constant
50020187	15	ChEMBL_2352592	Inhibition of TBK1 (unknown origin)
50020187	16	ChEMBL_2352593	Inhibition of JAK1 (unknown origin)
50020187	17	ChEMBL_2352594	Inhibition of FMS (unknown origin)
50020187	18	ChEMBL_2352595	Inhibition of CSF1R (unknown origin)
50020188	1	ChEMBL_2352597	Inhibition of human Nav 1.4 expressed in HEK293T cells assessed as tonic block at 0.1 Hz by whole cell patch clamp assay
50020188	2	ChEMBL_2352598	Inhibition of human Nav 1.7 expressed in HEK293T cells assessed as tonic block at 0.1 Hz by whole cell patch clamp assay
50020188	3	ChEMBL_2352599	Inhibition of human Nav 1.4 expressed in HEK293T cells assessed as phasic block at 10 Hz by whole cell patch clamp assay
50020188	4	ChEMBL_2352600	Inhibition of human Nav 1.7 expressed in HEK293T cells assessed as phasic block at 10 Hz by whole cell patch clamp assay
50020190	1	ChEMBL_2352612	Displacement of [18F]PSMA-1007 from human PSMA expressed in human LNCaP cells by competitive binding assay
50020191	1	ChEMBL_2352614	Inhibition of his-tagged Mycobacterium tuberculosis PptT expressed in Escherichia coli BL21 cells by BpsA-coupled assay
50020191	2	ChEMBL_2352615	Inhibition of Mycobacterium tuberculosis PptT by fluorescence polarization assay
50020191	3	ChEMBL_2352622	Inhibition of Mycobacterium tuberculosis H37Rv PptT by BpsA-coupled assay
50020191	4	ChEMBL_2352623	Inhibition of Mycobacterium tuberculosis H37Rv PptT by fluorescence polarization assay
50020192	1	ChEMBL_2352627	Displacement of Cy5-labeled BIM BH3 peptide (H3N-(C/Cy5Mal)-WIAQELRRIGDEFN-OH) from MCL-1 (unknown origin) assessed as inhibition constant incubated for 60 mins by HTRF assay
50020192	2	ChEMBL_2352649	Displacement of Fluor 647-labeled BIM peptide from N-terminal GST-tagged MCL-1 (unknown origin) assessed as inhibition constant incubated for 120 to 180 mins by TR-FRET assay
50020192	3	ChEMBL_2352650	Displacement of TAMRA-labeled BIM BH3 peptide from N-terminal GST tagged human MCL-1 (171 to 327 residues) expressed in Escherichia coli assessed as inhibition constant incubated for 120 mins by TR-FRET assay
50020193	1	ChEMBL_2352651	Inhibition of KRAS G12D mutant in human PANC-1 cells assessed as reduction in phosphorylation of ERK 1/2 level incubated for 3 hrs
50020196	1	ChEMBL_2352750	Displacement of [3H]-DAMGO from human MOR receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method
50020196	2	ChEMBL_2352751	Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method
50020196	3	ChEMBL_2352752	Displacement of [3H]N-methylspiperone from human D3R receptor expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by MicroBeta scintillation counting method
50020197	1	ChEMBL_2352771	Inhibition of EDA-m7GTP-5-FAM binding to 10-His tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells incubated for 40 mins under shaking condition by competition fluorescence polarization assay
50020198	1	ChEMBL_2352798	Binding affinity to Poly-his tagged SARS-CoV-2 Wuhan Spike protein (1 to 1208 residues) assessed as dissociation constant incubated for 15 mins by MST analysis
50020198	2	ChEMBL_2352799	Binding affinity to Poly-his tagged SARS-CoV-2 Wuhan Spike protein RBD assessed as dissociation constant incubated for 15 mins by MST analysis
50020199	1	ChEMBL_2352802	Inhibition of IL-17C/IL-17RE interaction (unknown origin) incubated for 1.5 hrs by ELISA method
50020200	1	ChEMBL_2352838	Agonist activity at STING in digitonin-permeabilized human THP1-Dual cells expressing NF-kappaB-SEAP and IRF-Lucia luciferase reporter assessed as increase in IRF-luciferase activation incubated for 24 hrs by QUANTI-Luc assay
50020201	1	ChEMBL_2352839	Inhibition of human CK1 epsilon using casein and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	2	ChEMBL_2352840	Inhibition of N-terminal GST/His6-fused human full length CDK5 (1 to 292 residues)/N-terminal His6-fused human p25 (104 to 307 residues) coexpressed in Sf9 cells using RBERCHKtide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	3	ChEMBL_2352841	Inhibition of N-terminal GST/His6-fused human full length CLK1 (1 to 484 residues) expressed in Sf9 cells assessed as inhibition of autophosphorylation using [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	4	ChEMBL_2352842	Inhibition of human CLK2 using GSK3(14-27) peptide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	5	ChEMBL_2352843	Inhibition of human full length CLK3 (1 to 490 residues) expressed in Sf9 cells using S6 peptide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	6	ChEMBL_2352844	Inhibition of human CLK4 using MBP and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	7	ChEMBL_2352845	Inhibition of human DYRK1A using RBERCHKtide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	8	ChEMBL_2352846	Inhibition of human DYRK1B using RBERCHKtide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	9	ChEMBL_2352847	Inhibition of human DYRK2 using RBERIRStide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	10	ChEMBL_2352848	Inhibition of human DYRK3 using RBERIRStide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	11	ChEMBL_2352849	Inhibition of human DYRK4 using RBERCHKtide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020201	12	ChEMBL_2352850	Inhibition of N-terminal GST/His6-fused human full length GSK-3-beta (1 to 420 residues) expressed in Sf9 cells using RBERCHKtide and [gamma33P]ATP as substrate incubated for 60 mins by radiometric 33PanQinase assay
50020202	1	ChEMBL_2352892	Binding affinity to JNK1 (2 to 364 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isothermal titration calorimetry assay
50020202	2	ChEMBL_2352893	Binding affinity to JNK3 (39 to 402 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isothermal titration calorimetry assay
50020203	1	ChEMBL_2352896	Inhibition of SMARCA2 (unknown origin) assessed as dissociation constant
50020204	1	ChEMBL_2352901	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 1 hr by HTRF assay
50020204	2	ChEMBL_2352902	Binding affinity to human PD-L1 expressed in Escherichia coli strain BL21 assessed as dissociation constant by NMR spectroscopic analysis
50020205	1	ChEMBL_2352989	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP3 (1 to 131 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by SPR analysis
50020205	2	ChEMBL_2352990	Binding affinity to N-terminal His-tagged HDAC6 UBD (1109 to 1213 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins using N-terminal FITC-labeled LRLRGG as substrate by fluorescence polarization assay
50020205	3	ChEMBL_2352991	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged HDAC6 UBD (1109 to 1215 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by Isothermal titration calorimetry
50020205	4	ChEMBL_2352992	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged HDAC6 UBD (1109 to 1215 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by SPR analysis
50020205	5	ChEMBL_2352993	Binding affinity to full length HDAC6 (1 to 1215 residues) (unknown origin) expressed in Sf9 cells assessed as dissociation constant by SPR analysis
50020205	6	ChEMBL_2352994	Binding affinity to full length HDAC6 (1 to 1215 residues) (unknown origin) expressed in Sf9 cells using N-terminal FITC-labeled RLRGG substrate incubated for 10 mins by fluorescence polarization assay
50020205	7	ChEMBL_2352995	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP5 (171 to 290 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by SPR analysis
50020205	8	ChEMBL_2352997	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged USP16 (25 to 185 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by SPR analysis
50020205	9	ChEMBL_2353003	Binding affinity to N-terminal Avi-tagged and C-terminal His6-tagged BRAP (304 to 390 residues) (unknown origin) expressed in Escherichia coli BirA assessed as dissociation constant by SPR analysis
50020205	10	ChEMBL_2353009	Antagonist activity at USP5 (1 to 835 residues) (unknown origin) assessed as deubiquitinase activity using ubiquitin-rhodamine110 as substrate and measured for 10 mins by fluorescence based microplate reader analysis
50020206	1	ChEMBL_2353022	Inhibition of Sirtuin-1 (unknown origin) incubated for 30 mins by luminogenic SIRT-Glo assay
50020207	1	ChEMBL_2353023	Inhibition of recombinant Plasmodium falciparum 3D7 PMX using DABCYLHSFIQEGKEE-EDANS as fluorogenic substrate incubated for 5 mins followed by substrate addition and measured every 3 mins for 60 mins by fluorescence based SpectraMax M5e plate reader
50020207	2	ChEMBL_2353024	Inhibition of Plasmodium falciparum PMIV using DABCYL-ERNIeFLSFP-EDAN as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by FRET based assay
50020207	3	ChEMBL_2353025	Inhibition of human CatD using DABCYL-ERNIeFLSFP-EDAN as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by FRET based assay
50020207	4	ChEMBL_2353026	Inhibition of human BACE1 using E-EDANS-EVNLDAEFK-DABCYL-R as substrate preincubated for 20 mins followed by substrate addition and measured after 60 mins by FRET based assay
50020208	1	ChEMBL_2353047	Binding affinity to C-terminal polyhis-tagged recombinant human GFRAL (19 to 351 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50020208	2	ChEMBL_2353048	Binding affinity to C-terminal polyhis-tagged recombinant human GFRAL (19 to 351 residues) expressed in HEK293 cells assessed as dissociation constant with increasing enzyme concentration by SPR analysis
50020208	3	ChEMBL_2353049	Binding affinity to C-terminal polyhis-tagged recombinant human GFRAL (19 to 351 residues) expressed in HEK293 cells assessed as dissociation constant by flow cytometric analysis
50020209	1	ChEMBL_2353098	Binding affinity to full-length wild-type human NNMT (1 to 270 residues) expressed in Escherichia coli BL21(DE3) cells assessed as apparent inhibition constant preincubated for 30 mins followed by nicotinamide addition by fluorescence-based SAHH-coupled assay
50020209	2	ChEMBL_2353099	Inhibition of NNMT in human 769-P cells assessed as reduction in MNA level measured after 48 hrs by MRM analysis
50020209	3	ChEMBL_2353100	Inhibition of NNMT in human 769-P cells assessed as reduction in MNA level measured after 24 to 48 hrs by MRM analysis
50020209	4	ChEMBL_2353103	Binding affinity to full-length wild-type human NNMT (1 to 270 residues) expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant preincubated for 30 mins followed by FP probe addition measured after 30 mins by fluorescence polarization assay
50020209	5	ChEMBL_2353105	Binding affinity to full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant preincubated for 30 mins followed by FP probe addition measured after 30 mins by fluorescence polarization competition assay
50020209	6	ChEMBL_2353106	Inhibition of full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells using nicotinamide as substrate preincubated for 30 mins followed by substrate addition by fluorescence-based SAHH-coupled assay
50020209	7	ChEMBL_2353108	Binding affinity to full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells assessed as apparent inhibition constant using nicotinamide as substrate preincubated for 30 mins followed by substrate addition in presence of SAM by fluorescence-based SAHH-coupled assay
50020209	8	ChEMBL_2353109	Inhibition of full-length recombinant human NNMT expressed in Escherichia coli BL21(DE3) cells using nicotinamide as substrate preincubated for 30 mins followed by addition of 9 times Km concentration of substrate in presence of 9 times Km concentration of SAM by fluorescence-based SAHH-coupled assay
50020209	9	ChEMBL_2353114	Binding affinity to full-length wild-type human NNMT (1 to 270 residues) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis
50020209	10	ChEMBL_2353121	Inhibition of NNMT in human 769-P cells assessed as MNA level incubated for 24 hrs by MRM analysis
50020209	11	ChEMBL_2353122	Inhibition of NNMT in human 769-P cells assessed as MNA level incubated for 48 hrs by MRM analysis
50020212	1	ChEMBL_2353142	Inhibition of PHD2 (181 to 426 residues) (unknown origin) expressed in Escherichia coli using HIF-alpha- CODD 558 to 574 residues) by SPE-MS analysis
50020212	2	ChEMBL_2353143	Inhibition of N-terminal his6-tagged-thioredoxin-tagged human recombinant JMJD5 expressed in Escherichia coli using RPS6 as substrate by SPE-MS analysis
50020212	3	ChEMBL_2353144	Inhibition of N-terminal his6-tagged human recombinant JMJD5 (183 to 416 residues) using RPS6 as substrate by SPE-MS analysis
50020212	4	ChEMBL_2353145	Inhibition of KDM4E (unknown origin) by FDH-coupled spectrophotometric turnover assay
50020212	5	ChEMBL_2353146	Inhibition of human recombinant KDM4E using biotinylated-H3K9me3 peptide as substrate by SPE-MS analysis
50020212	6	ChEMBL_2353147	Inhibition of KDM4E (unknown origin) by SPE-MS analysis
50020212	7	ChEMBL_2353148	Inhibition of his6-tagged human recombinant KDM4E using K9me3 as substrate by SPE-MS analysis
50020212	8	ChEMBL_2353149	Inhibition of N-terminal his6-tagged human recombinant AspH (315 to 758 residues) expressed in Escherichia coli BL21 (DE3) cells by SPE-MS analysis
50020212	9	ChEMBL_2353150	Inhibition of AspH (unknown origin) by SPE-MS analysis
50020212	10	ChEMBL_2353152	Inhibition of N-terminal his6-tagged AspH (315 to 758 residues) (unknown origin) expressed in Escherichia coli by SPE-MS analysis
50020212	11	ChEMBL_2353153	Inhibition of N-terminal his6-tagged human recombinant KDM4E expressed in Escherichia coli using K9me3 as substrate by SPE-MS analysis
50020212	12	ChEMBL_2353154	Inhibition of N-terminal his6-tagged RIOX2 (26 to 465 residues) (unknown origin) expressed in Escherichia coli using RPL27A (31 to 49 residues) as substrate by SPE-MS analysis
50020214	1	ChEMBL_2353231	Binding affinity to PKM2 in mouse BV-2 cells by Western blot analysis
50020215	1	ChEMBL_2353358	Inhibition of human SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate in presence of NAD+
50020215	2	ChEMBL_2353368	Inhibition of recombinant SIRT1 (unknown origin) using Ac-Arg-Leu-lle-Lys (Ac)-AMC as substrate
50020215	3	ChEMBL_2353369	Inhibition of recombinant SIRT2 (unknown origin) using Ac-Glu-Thr-Asp-Lys (Dec)-AMC as substrate
50020215	4	ChEMBL_2353370	Inhibition of recombinant SIRT3 (unknown origin) using Ac-Arg-Leu-lle-Lys (Ac)-AMC as substrate
50020216	1	ChEMBL_2353475	Inhibition of His/SUMO tagged SARS-CoV-2 main protease transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition by fluorescence based analysis
50020216	2	ChEMBL_2353476	Inhibition of eGFP-fused SARS-CoV-2 main protease transfected in HEK293T/17 cells incubated for 3 days by flow cytometry analysis
50020216	3	ChEMBL_2353477	Inhibition of SARS-CoV-2 main protease
50020219	1	ChEMBL_2353672	Binding affinity to His-tagged recombinant human TIM3 expressed in HEK293 cells assessed as dissociation constant by sensor chip immobilization based SPR analysis
50020219	2	ChEMBL_2353673	Binding affinity to His-tagged recombinant human TIM3 expressed in HEK293 cells assessed as dissociation constant by MST assay
50020220	1	ChEMBL_2353681	Inhibition of JAK1 signaling pathway in human PBMC cells assessed as reduction of IL-2 induced STAT5 phosphorylation
50020220	2	ChEMBL_2353682	Inhibition of JAK3 signaling pathway in human PBMC cells assessed as reduction of IL-2 induced STAT5 phosphorylation
50020220	3	ChEMBL_2353683	Inhibition of TYK2 signalling pathway in human PBMC cells assessed as IFN alpha induced p-STAT1 level
50020220	4	ChEMBL_2353684	Inhibition of TYK2 signalling pathway in human PBMC cells assessed as IFN alpha induced p-STAT3 level
50020220	5	ChEMBL_2353686	Binding affinity to wild type full length JAK2 JH2 (unknown origin) expressed in HEK293 cells assessed as dissociation constant
50020220	6	ChEMBL_2353687	Binding affinity to JAK2 V617F mutant (unknown origin) assessed as dissociation constant
50020220	7	ChEMBL_2353688	Binding affinity to JAK2 JH1 (unknown origin) assessed as dissociation constant
50020220	8	ChEMBL_2353689	Binding affinity to JAK2 JH2 (unknown origin) assessed as dissociation constant
50020220	9	ChEMBL_2353690	Binding affinity to wild type JAK2 JH2 (unknown origin)
50020220	10	ChEMBL_2353691	Binding affinity to JAK2 JH1 (unknown origin) assessed as dissociation constant by competitive binding assay
50020220	11	ChEMBL_2353692	Binding affinity to wild type JAK2 JH2 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020220	12	ChEMBL_2353693	Binding affinity to JAK2 JH2 V617F mutant (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020220	13	ChEMBL_2353694	Binding affinity JAK2 JH1 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020220	14	ChEMBL_2353697	Inhibition of human JAK2 JH2 (503 to 827 residues)
50020220	15	ChEMBL_2353698	Inhibition of human JAK2 JH1 (836 to 1132 residues)
50020220	16	ChEMBL_2353700	Inhibition of human JAK1 JH1 (866 to 1154 residues)
50020220	17	ChEMBL_2353701	Inhibition of human recombinant C-terminal Histidine tagged TYK2 JH2 (564 to 876 residues) expressed in Sf9 cells by chromatography method
50020220	18	ChEMBL_2353702	Inhibition of human recombinant C-terminal Histidine tagged TYK2 JH1 (886 to 1187 residues) expressed in Sf9 cells by chromatography method
50020220	19	ChEMBL_2353703	Inhibition of JAK2 JH1 domain (unknown origin)
50020220	20	ChEMBL_2353705	Inhibition of JAK1 JH1 domain (unknown origin)
50020220	21	ChEMBL_2353706	Inhibition of JAK3 JH2 (unknown origin)
50020220	22	ChEMBL_2353707	Inhibition of JAK3 JH1 (unknown origin)
50020220	23	ChEMBL_2353708	Inhibition of human recombinant TYK2 JH2
50020220	24	ChEMBL_2353709	Inhibition of human recombinant TYK2 JH1
50020220	25	ChEMBL_2353710	Binding affinity to N-terminal His6-tagged human TYK2 (556 to 871 residues) expressed in baculovirus assessed as dissociation constant incubated for 72 hrs by fluorescence polarization method
50020220	26	ChEMBL_2353711	Inhibition of N-terminal His-tagged human TYK2 JH2 domain incubated for 30 mins by scintillation method
50020220	27	ChEMBL_2353712	Inhibition of IL-23 induced STAT3 phosphorylation in human KIT225 cells by AlphaLISA assay
50020220	28	ChEMBL_2353713	Inhibition of TYK2 JH2 in human KIT225 cells assessed as reduction of IFNalpha induced STAT1 phosphorylation by AlphaLISA assay
50020220	29	ChEMBL_2353714	Inhibition of human recombinant IKKbeta
50020220	30	ChEMBL_2353715	Inhibition of human recombinant JAK1 in presence of ATP
50020220	31	ChEMBL_2353716	Inhibition of human recombinant JAK2 JH1 domain
50020220	32	ChEMBL_2353717	Inhibition of human recombinant TYK2
50020220	33	ChEMBL_2353719	Binding affinity to TYK2 JH2 (unknown origin) assessed as dissociation constant
50020220	34	ChEMBL_2353720	Binding affinity to JAK1 JH2 (unknown origin) assessed as dissociation constant
50020220	35	ChEMBL_2353721	Inhibition of TYK2 JH1 domain (unknown origin)
50020220	36	ChEMBL_2353722	Inhibition of JAK1 JH1 (unknown origin)
50020220	37	ChEMBL_2353723	Inhibition of JAK2 JH1 (unknown origin)
50020220	38	ChEMBL_2353724	Inhibition of IL-23 induced STAT3 phosphorylation in human Jurkat cells incubated for 30 mins by microplate reader analysis
50020220	39	ChEMBL_2353727	Binding affinity to human recombinant TYK2 (556 to 871 residues) incubated for 10 hrs by microplate reader based analysis
50020220	40	ChEMBL_2353728	Binding affinity to TYK2 JH1 domain (unknown origin) assessed as dissociation constant
50020221	1	ChEMBL_2353732	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant
50020221	3	ChEMBL_2353734	Inhibition of GLP (unknown origin)
50020221	4	ChEMBL_2353735	Inhibition of human recombinant NSD1 (5475 to 6345 residues) expressed in Escherichia coli BL21 (DE3) incubated for 4 hrs by scintillation/filter assay
50020221	5	ChEMBL_2353736	Inhibition of human recombinant NSD2 (2844 to 3717 residues) expressed in Escherichia coli BL21 (DE3) incubated for 4 hrs by scintillation/filter assay
50020221	6	ChEMBL_2353737	Inhibition of human recombinant NSD3 (3084 to 3954 residues) expressed in Escherichia coli BL21 (DE3) incubated for 4 hrs by scintillation/filter assay
50020221	7	ChEMBL_2353738	Inhibition of human NSD2 expressed in Escherichia coli BL21 assessed as reduction in H3K36 methylation activity incubated for 4 hrs by scintillation assay
50020221	8	ChEMBL_2353739	Inhibition of human NSD2 SET domain-mediated H3K36 methylation using histone H3 as substrate by colorimetric analysis
50020221	9	ChEMBL_2353740	Inhibition of NSD1 SET domain (1852 to 2105 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)
50020221	10	ChEMBL_2353741	Binding affinity to GST-tagged human NSD2 assessed as dissociation ass
50020221	11	ChEMBL_2353742	Inhibition of NSD2 (unknown origin)
50020221	12	ChEMBL_2353743	Inhibition of NSD3 (unknown origin)
50020221	13	ChEMBL_2353749	Inhibition of N-terminal hexa-histidine tagged NSD1 SET domain (1852 to 2105 residues) (unknown origin) expressed in Escherichia coli incubated for 2 hrs by ITC method
50020221	14	ChEMBL_2353750	Binding affinity to hexa-histidine tagged NSD1 SET domain (unknown origin) assessed as dissociation constant
50020221	15	ChEMBL_2353751	Inhibition of N-terminal hexa-histidine tagged NSD1 SET domain (1852 to 2105 residues) (unknown origin) expressed in Escherichia coli incubated for 4 hrs by ITC method
50020221	16	ChEMBL_2353752	Inhibition of N-terminal hexa-histidine tagged NSD1 SET domain (1852 to 2105 residues) (unknown origin) expressed in Escherichia coli incubated for 16 hrs by ITC method
50020221	17	ChEMBL_2353754	Inhibition of human recombinant NSD1 incubated for 2 hrs by AlphaLISA method
50020221	18	ChEMBL_2353755	Inhibition of NSD3 degradation in human KMS-11 cells assessed as reduction in H3K36me2 levels by FRET assay
50020221	19	ChEMBL_2353756	Inhibition of wild type NSD2 (unknown origin)
50020221	20	ChEMBL_2353757	Inhibition of NSD2 E1099K mutant (unknown origin)
50020221	21	ChEMBL_2353758	Inhibition of NSD2 T1150A mutant (unknown origin)
50020221	22	ChEMBL_2353760	Binding affinity to NSD1 (unknown origin) assessed as dissociation constant by ITC assay
50020221	23	ChEMBL_2353761	Antagonist activity against recombinant human GST-tagged NSD3 PWWP1 domain (247 to 398 residues) expressed in Escherichia coli BL21(DE3) incubated for 60 mins by TR-FRET assay
50020221	24	ChEMBL_2353768	Binding affinity to human recombinant NSD3 PWWP1 domain assessed as dissociation constant
50020221	25	ChEMBL_2353769	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR assay
50020221	26	ChEMBL_2353771	Induction of degradation of NSD2 in human U2OS cells
50020222	1	ChEMBL_2353887	Antagonist activity at GluN1A/GluN2B receptor (unknown origin) expressed in Xenopus oocytes by voltage clamp method
50020222	2	ChEMBL_2353888	Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L-M(TK-) cell membrane coexpressing GluN1a assessed as inhibition constant measured after 120 mins by competitive binding assay
50020222	3	ChEMBL_2353889	Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane assessed as inhibition constant measured after 120 mins by scintillation counting method
50020222	4	ChEMBL_2353890	Displacement of [3H]di-o-tolylguanidine from sigma2 receptor in rat liver membrane assessed as inhibition constant measured after 120 mins by scintillation counting method
50020222	5	ChEMBL_2353894	Antagonist activity at GluN2B receptor (unknown origin) expressed in Xenopus oocytes coexpressing GluN1a at -70 mV holding potential in presence of (S)-glutamate/glycine by TEVC analysis
50020223	1	ChEMBL_2353907	Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced receptor pore formation by propidium iodide dye uptake based fluorescence analysis
50020223	2	ChEMBL_2353908	Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced receptor pore formation by propidium iodide dye uptake based fluorescence analysis
50020223	3	ChEMBL_2353915	Antagonist activity at P2X7 receptor in human THP-1 cells assessed as inhibition of ATP-induced IL-1beta secretion pretreated with LPS for 3 hrs followed by incubation with compound for 40 mins followed by treatment with ATP for 1 hr by ELISA
50020223	4	ChEMBL_2353985	Antagonist activity at human P2X7 receptor
50020223	5	ChEMBL_2353986	Antagonist activity at mouse P2X7 receptor
50020223	6	ChEMBL_2353987	Antagonist activity at rat P2X7 receptor
50020224	1	ChEMBL_2353988	Binding affinity to N-terminal 6His-tagged human GARFTase (808 to 1010 residues) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant by spectrophotometric analysis
50020224	2	ChEMBL_2353989	Binding affinity to N-terminal 6His-tagged full length human ATIC expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant by spectrophotometric analysis
50020224	3	ChEMBL_2353990	Binding affinity to N-terminal 6His-tagged full length truncated SHMT1 (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant by spectrophotometric analysis
50020224	4	ChEMBL_2353991	Binding affinity to N-terminal 6His-tagged truncated SHMT2 (30 to 504 residues) (unknown origin) expressed in Escherichia coli Rosetta (DE3) pLysS assessed as inhibition constant by spectrophotometric analysis
50020225	1	ChEMBL_2354033	Antagonist activity at TLR7 in human PBMC cells assessed as reduction in IFN alpha measured after 20 hrs by AlphaLISA assay
50020225	2	ChEMBL_2354034	Antagonist activity at TLR8 in human PBMC cells expressed in Drosophila S2 expression system assessed as reduction in IL-6 level measured after 20 hrs by AlphaLISA assay
50020225	3	ChEMBL_2354035	Antagonist activity at TLR9 in human PBMC cells assessed as reduction in IFN alpha measured after 20 hrs by AlphaLISA assay
50020225	4	ChEMBL_2354044	Antagonist activity at TLR4 in human PBMC cells assessed as reduction in IL-6 level measured after 20 hrs by AlphaLISA assay
50020225	5	ChEMBL_2354045	Antagonist activity at TLR4 in human Whole blood cell assessed as reduction in IL-6 level measured after 30 mins
50020225	6	ChEMBL_2354046	Antagonist activity at TLR8 in human Whole blood cell expressed in Drosophila S2 expression system assessed as reduction in IL-6 level measured after 30 mins
50020225	7	ChEMBL_2354047	Antagonist activity at TLR7 in human Whole blood cell assessed as reduction in IFN-alpha level measured after 30 mins
50020225	8	ChEMBL_2354048	Antagonist activity at TLR9 in human Whole blood cell assessed as reduction in IFN-alpha level measured after 30 mins
50020225	9	ChEMBL_2354049	Antagonist activity at TLR7 in mouse Splenocyte assessed as reduction in IFN-alpha level measured after 20 hrs by Spectramax M5 method
50020225	10	ChEMBL_2354050	Antagonist activity at TLR9 in mouse Splenocyte assessed as reduction in IFN-alpha level measured after 20 hrs by Spectramax M5 method
50020225	11	ChEMBL_2354051	Antagonist activity at TLR4 in mouse Splenocyte assessed as reduction IL-6 level measured after 20 hrs by Spectramax M5 method
50020225	12	ChEMBL_2354052	Antagonist activity at TLR7 in mouse Whole blood cell assessed as reduction in IFN-alpha level measured after 20 hrs by AlphaLISA method
50020225	13	ChEMBL_2354053	Antagonist activity at TLR9 in mouse Whole blood cell assessed as reduction in IFN-alpha level measured after 20 hrs by AlphaLISA method
50020225	14	ChEMBL_2354054	Antagonist activity at TLR4 in mouse Whole blood cell assessed as reduction in IL-6 level measured after 20 hrs by HTRF method
50020226	1	ChEMBL_2354067	Agonist activity at PXR (unknown origin)
50020226	2	ChEMBL_2354082	Inhibition of NaV 1.5 channel (unknown origin) by automated patch-clamp assay
50020226	3	ChEMBL_2354095	Inhibition of Cav1.2 (unknown origin)
50020228	1	ChEMBL_2354118	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in pyroptosis preincubated with compound for 3 hrs followed by nigericin stimulation and measured after 1 hrs by resazurin dye based plate reader analysis
50020228	2	ChEMBL_2354119	Inhibition of NLRP3 in human whole blood assessed as reduction in IL-1beta release preincubated with compound for 3 hrs followed by nigericin stimulation and measured after 1 hrs by AlphaLISA assay
50020230	1	ChEMBL_2354123	Binding affinity to CDK2 (unknown origin) assessed as dissociation constant
50020230	2	ChEMBL_2354124	Binding affinity to CDK5 (unknown origin) assessed as dissociation constant
50020230	3	ChEMBL_2354125	Binding affinity to CDK9 (unknown origin) assessed as dissociation constant
50020231	1	ChEMBL_2354127	Agonist activity at STING in PMA-differentiated wildtype human THP1-Blue ISG cells harboring IRF-inducible SEAP reporter construct incubated for 24 hrs by QUANTI-Blue assay
50020231	2	ChEMBL_2354136	Competitive inhibition of 5-FAM labelled diABZI binding to recombinant 6-his tagged mouse STING C-terminal domain (144 to 378 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 10 mins by fluorescence polarization assay
50020231	3	ChEMBL_2354137	Agonist activity at STING in PMA-differentiated human THP1-Dual KO-STING cells incubated for 24 hrs by QUANTI-Blue assay
50020234	1	ChEMBL_2354156	Inhibition of GCS in human A-375 cell golgi body using C6-ceramide and UDP-glucose as substrate assessed as reduction in UDP production preincubated for 30 mins followed by substrate addition and measured after 20 hrs by UDP-Glo luminometer analysis
50020237	1	ChEMBL_2354157	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate in presence of ATP by Kinase-Glo assay
50020238	1	ChEMBL_2354183	Binding affinity to human recombinant BRD4BD1 (44 to 168 residues) expressed in Escherichia coli BL23 (DE3) by fluorescence polarization analysis
50020238	2	ChEMBL_2354184	Binding affinity to human recombinant BRD4BD2 (333 to 460 residues) expressed in Escherichia coli BL23 (DE3) by fluorescence polarization analysis
50020239	1	ChEMBL_2354188	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50020239	2	ChEMBL_2354189	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50020239	3	ChEMBL_2354190	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50020239	4	ChEMBL_2354191	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant incubated for 1 hr prior to testing by phenol red based stopped-flow CO2 hydration assay
50020241	1	ChEMBL_2354206	Inhibition of human DHODH using dihydroorotate and CoQ6 as substrate by DCIP dye based spectrophotometry analysis
50020242	1	ChEMBL_2354208	Inhibition of ERK1/2 phosphorylation in human PANC-1 cells incubated for 3 hrs
50020244	1	ChEMBL_2354222	Antagonist activity at ERalpha (unknown origin) expressed in HEK293T cells co-expressing ERbeta and ERE-luciferase reporter assessed as reduction in relative light unit incubated for 24 hrs by dual-luciferase reporter assay
50020245	1	ChEMBL_2354252	Binding affinity to human 5-HT2B receptor expressed in african green monkey COS7 cells assessed as inhibition constant
50020245	2	ChEMBL_2354258	Displacement of [3H]-5HT from human 5-HT2B receptor expressed in african green monkey COS7 cells assessed as inhibition constant
50020245	3	ChEMBL_2354259	Displacement of [3H]-5HT from human 5-HT2B receptor expressed in CHO-K1 cells assessed as inhibition constant
50020245	4	ChEMBL_2354261	Displacement of [3H]-LSD from human 5-HT2B receptor assessed as inhibition constant incubated for 1.5 hrs
50020245	5	ChEMBL_2354262	Displacement of [3H]-LSD from human 5-HT2B receptor assessed as inhibition constant
50020245	6	ChEMBL_2354263	Displacement of [3H]-5HT from human 5-HT2B receptor assessed as inhibition constant
50020245	7	ChEMBL_2354264	Displacement of [3H]-5HT from human 5-HT2B receptor expressed in human SH-SY5Y cells assessed as inhibition constant
50020246	1	ChEMBL_2354280	Inhibition of ABCG2 (unknown origin)-mediated mitoxantrone efflux
50020246	2	ChEMBL_2354281	Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone accumulation incubated for 30 mins by flow cytometric method
50020247	1	ChEMBL_2354309	Inhibition of Mycobacterium tuberculosis InhA
50020247	2	ChEMBL_2354312	Inhibition of Mycobacterium tuberculosis H37Ra pantothenate synthetase
50020247	3	ChEMBL_2354314	Inhibition of Escherichia coli DNA gyrase
50020247	4	ChEMBL_2354315	Inhibition of Mycobacterium tuberculosis TMPK
50020248	1	ChEMBL_2354377	Inhibition of full length recombinant human SYK
50020249	1	ChEMBL_2354430	Displacement of fluorescein-labeled kinase tracer from His-TVMV-TYK2 JH2 (575 to 869 residues) (unknown origin) measured after 90 mins by HTRF assay
50020249	2	ChEMBL_2354431	Inhibition of TYK2 JH2 domain in human whole blood assessed as reduction in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by IFNalpha stimulation and measured after 15 mins by fluorescence assay
50020249	3	ChEMBL_2354442	Inhibition of JAK1 (unknown origin) assessed as reduction in IL-2 induced activity
50020249	4	ChEMBL_2354443	Inhibition of JAK3 (unknown origin) assessed as reduction in IL-2 induced activity
50020249	5	ChEMBL_2354444	Activity at PXR (unknown origin)
50020249	6	ChEMBL_2354445	Activity at PDE4 (unknown origin)
50020249	7	ChEMBL_2354446	Inhibition of UGT1A1 (unknown origin)
50020251	1	ChEMBL_2354484	Agonist activity at AHR in human HepG2-Lucia AhR cells stably transfected with DRE by luciferase reporter assay
50020252	1	ChEMBL_2354528	Inhibition of NAMPT (unknown origin)
50020253	1	ChEMBL_2354533	Competitive inhibition of NDM-1 (unknown origin) using penicillin G as substrate by Michaelis-Menten equation based kinetic analysis
50020254	1	ChEMBL_2354581	Inhibition of LSD1 (unknown origin)
50020254	2	ChEMBL_2354582	Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50020256	1	ChEMBL_2354589	Inhibition of full length human PCSK9 expressed in human Huh-7 cells by ELISA analysis
50020257	1	ChEMBL_2354635	Inhibition of GGT1 (unknown origin) assessed as GSH hydrolysis by measuring inhibition constant
50020257	2	ChEMBL_2354637	Inhibition of GGT1 (unknown origin) transpeptidation assessed as inhibition constant using L-GpNA as substrate in presence of Gly-Gly
50020258	1	ChEMBL_2354685	Inhibition of SARS-CoV-2 main protease by FRET assay
50020259	1	ChEMBL_2354699	Inhibition of human recombinant PDE5A1 by fluorescence based assay
50020259	2	ChEMBL_2354703	Inhibition of PDE4 (unknown origin) by fluorescent based assay
50020259	3	ChEMBL_2354705	Inhibition of PDE7 (unknown origin) by fluorescent based assay
50020261	1	ChEMBL_2354720	Inhibition of recombinant his-tagged Plasmodium falciparum Hsp90 GHKL domain expressed in Escherichia coli BL21 (DE3) cells by bis-ANS binding assay
50020263	1	ChEMBL_2354726	Binding affinity to NanoLuc fused Snap CXCR2 (unknown origin) expressed in HEK293 cell membrane assessed as dissociation constant using furimazine as substrate incubated with substrate for 5 mins and measured every 15 secs for 60 mins by luminescence based NanoBRET fluorescent binding assay
50020263	2	ChEMBL_2354727	Binding affinity to NanoLuc fused Snap CXCR1 (unknown origin) expressed in HEK293 cell membrane assessed as dissociation constant using furimazine as substrate incubated with substrate for 5 mins and measured every 15 secs for 60 mins by luminescence based NanoBRET fluorescent binding assay
50020263	3	ChEMBL_2354728	Binding affinity to NanoLuc fused Snap CXCR2 (unknown origin) expressed in HEK293 cells assessed as dissociation constant using furimazine as substrate preincubated for 1 hr followed by substrate addition for mins and measured every hour for 3 hrs by luminescence based NanoBRET fluorescent binding assay
50020263	4	ChEMBL_2354732	Binding affinity to CXCR2 (unknown origin) (28 to 99 residues) expressed in HEK293 cell membrane assessed as dissociation constant using furimazine as substrate incubated with substrate for 5 mins and measured every 15 secs for 60 mins by luminescence based NanoBRET fluorescent binding assay
50020263	5	ChEMBL_2354738	Displacement of [3H]Sch527123 from human CXCR2 assessed as dissociation constant measured every 30 secs for 48 hrs by radioligand binding assay
50020264	1	ChEMBL_2354799	Inhibition of human recombinant PRMT9 using biotinylated SF3B2(500 to 519 residues) as substrate and SAM as cosubstrate pre-incubated with compound for 30 mins followed by substrate addition measured after 60 mins by AlphaLISA assay
50020264	2	ChEMBL_2354800	Inhibition of N-terminal/C-terminal GST-tagged human recombinant full-length PRMT1 (2 to 371 residues) using histone H4 as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	3	ChEMBL_2354801	Inhibition of N-terminal/C-terminal His-tagged human recombinant full-length PRMT3 (2 to 531 residues) using histone H4 as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	4	ChEMBL_2354802	Inhibition of N-terminal/C-terminal GST-tagged human recombinant full-length PRMT4 (2 to 608 residues) using histone H3.3 as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	5	ChEMBL_2354803	Inhibition of N-terminal/C-terminal human recombinant full-length FLAG-tagged PRMT5 (2 to 637 residues)/C-terminal human His-tagged MEP50 (2 to 342 residues) using histone H2A as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	6	ChEMBL_2354804	Inhibition of N-terminal/C-terminal GST-tagged human recombinant full-length PRMT6 (2 to 375 residues) using histone GST-GAR as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	7	ChEMBL_2354805	Inhibition of N-terminal/C-terminal His-tagged human recombinant full-length PRMT7 (2 to 692 residues) using histone GST-GAR as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	8	ChEMBL_2354806	Inhibition of N-terminal/C-terminal His-tagged human recombinant full-length PRMT8 (61 to 394 residues) using histone H4 as substrate and 3H-SAM as cosubstrate incubated for 60 mins by scintillation counter analysis
50020264	9	ChEMBL_2354818	Binding affinity to N-terminal/C-terminal FLAG/6His-tagged human PRMT9 (2 to 845 residues) assessed as dissociation constant by SPR assay
50020265	1	ChEMBL_2354835	Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 using nitrocefin as substrate incubated for 15 mins followed by substrate addition by absorbance based microplate reader analysis
50020265	2	ChEMBL_2354838	Binding affinity to C-terminal 6His-tagged full length biotin-labeled NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 assessed as dissociation constant by BLI assay
50020265	3	ChEMBL_2354839	Binding affinity to C-terminal 6His-tagged full length truncated NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 assessed as dissociation constant by isothermal titration calorimetric analysis
50020265	4	ChEMBL_2354853	Inhibition of C-terminal 6His/FLAG-tagged human recombinant full-length HDAC1 (1 to 482(end) residues) using Boc-Lys-(Ac)-AMC as substrate incubated for 10 mins followed by substrate addition measured after 1 hr by fluorescence based analysis
50020265	5	ChEMBL_2354855	Inhibition of human CA2 using pNPA as substrate preincubated for 15 mins followed by substrate by absorbance based analysis
50020265	6	ChEMBL_2354856	Inhibition of human recombinant MMP-2 CD using OMNIMMP as substrate incubated for 30 mins by fluorescence based analysis
50020265	7	ChEMBL_2354858	Binding affinity to human recombinant MMP-2 CD assessed as inhibition constant using OMNIMMP as substrate incubated for 30 mins by fluorescence based analysis
50020266	1	ChEMBL_2354967	Inhibition of SphK1 (unknown origin) using D-Sph as substrate incubated for 40 mins by ADP-Glo Plus luminescence kinase assay
50020266	2	ChEMBL_2354968	Inhibition of SphK2 (unknown origin) using NBD-Sph as substrate by fluorescent plate reader analysis
50020266	3	ChEMBL_2354973	Inhibition of SphK2 (unknown origin)
50020266	4	ChEMBL_2354974	Inhibition of recombinant SphK2 (unknown origin) using sphingosine as substrate assessed as inhibition constant by Lineweaver-burk plot analysis
50020267	1	ChEMBL_2354976	Inhibition of 5-LOX (unknown orgin) using arachidonic acid as substrate incubated for 10 mins by colorimetric assay
50020269	1	ChEMBL_2354988	Displacement of [125I]-GLP1 from GLP-1 receptor (unknown origin) expressed in CHO cells membrane pre-incubated for 10 mins followed by [125I]-GLP1 addition and measured after 180 mins by microbeta scintillation counting method
50020272	1	ChEMBL_2355001	Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) expressed in insect cells using LRRKtide as substrate measured after 1 hr by Adapta TR-FRET assay
50020272	2	ChEMBL_2355002	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in insect cells using LRRKtide as substrate measured after 1 hr by Adapta TR-FRET assay
50020273	1	ChEMBL_2355029	Inhibition of human MAT2A
50020273	2	ChEMBL_2355030	Inhibition of human MAT1A
50020273	3	ChEMBL_2355031	Inhibition of recombinant human MAT2A
50020275	1	ChEMBL_2355044	Inhibition of SYK (unknown origin) using ULight-TK peptide as substrate incubated for 120 mins in presence of ATP by Lance Ultra Kinase assay
50020275	2	ChEMBL_2355048	Inhibition of ZAP-70 (unknown origin) using ULight-TK peptide as substrate incubated for 120 mins in presence of ATP by Lance Ultra Kinase assay
50020276	1	ChEMBL_2355069	Inhibition of recombinant hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by FRET assay
50020276	2	ChEMBL_2355071	Inhibition of hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate measured after 1 hr by FRET assay
50020276	3	ChEMBL_2355072	Inhibition of hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate preincubated for 3 hrs followed by substrate addition and measured after 1 hr by FRET assay
50020277	1	ChEMBL_2355096	Displacement of [125I]AB-MECA from rat A3AR transfected in CHO cell membrane assessed as inhibition constant incubated for 1 hr by gamma counter method
50020277	2	ChEMBL_2355097	Binding affinity to human A2AAR assessed as inhibition constant
50020277	3	ChEMBL_2355098	Binding affinity to human A3AR assessed as inhibition constant
50020277	4	ChEMBL_2355099	Displacement of R-PIA from human A1AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation counter analysis
50020277	5	ChEMBL_2355101	Displacement of CGS2168 from recombinant human A2AAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation counter analysis
50020277	6	ChEMBL_2355103	Displacement of DPCPX from recombinant human A2BAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 30 mins by beta scintillation counter analysis
50020277	7	ChEMBL_2355105	Displacement of I-AB-MEC from human A3AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by gamma counter analysis
50020278	1	ChEMBL_2355138	Inhibition of PARP1 (unknown origin) using histone as substrate by ELISA
50020278	2	ChEMBL_2355150	Inhibition of PARP2 (unknown origin) using histone as substrate by ELISA
50020278	3	ChEMBL_2355151	Inhibition of PARP3 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	4	ChEMBL_2355152	Inhibition of PARP4 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	5	ChEMBL_2355153	Inhibition of PARP5A (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	6	ChEMBL_2355154	Inhibition of PARP5B (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	7	ChEMBL_2355155	Inhibition of PARP6 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	8	ChEMBL_2355156	Inhibition of PARP7 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	9	ChEMBL_2355157	Inhibition of PARP10 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	10	ChEMBL_2355158	Inhibition of PARP11 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	11	ChEMBL_2355159	Inhibition of PARP12 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	12	ChEMBL_2355160	Inhibition of PARP14 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020278	13	ChEMBL_2355161	Inhibition of PARP15 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50020279	1	ChEMBL_2355228	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate in presence of ATP measured after 1 hr by ADP-Glo assay
50020279	2	ChEMBL_2355231	Binding affinity to PI3Kdelta (unknown origin) assessed as dissociation constant by microscale thermophoresis assay
50020281	1	ChEMBL_2355297	Inhibition of SGLT2 (unknown origin)
50020281	2	ChEMBL_2355298	Inhibition of SGLT1 (unknown origin)
50020282	1	ChEMBL_2355325	Binding affinity to trypsin (unknown origin) assessed as inhibition constant by Lineweaver-Burk plot analysis
50020282	2	ChEMBL_2355326	Binding affinity to trypsin (unknown origin) assessed as dissociation constant by surface plasmon resonance imaging method
50020287	1	ChEMBL_2355339	Displacement of [3H]CP55490 from CB1 receptor in mouse brain plasma membrane by radioligand displacement analysis
50020287	2	ChEMBL_2355344	Displacement of [3H]CP55490 from CB2 receptor (unknown origin) expressed in CHO-K1 cells by radioligand displacement analysis
50020288	1	ChEMBL_2355383	Inhibition of HDAC in human HeLa cell nuclear extract using Kac fluorogenic peptide as substrate containing residues 379-382 of p53 by fluorescence assay
50020288	2	ChEMBL_2355398	Inhibition of HDAC6 (unknown origin) using fluorogenic peptide as the substrate containing residues 379-382 of p53at 10 uM pre-incubated for 15 mins followed by substrate addition incubated for 30 mins by multimode plate reader
50020288	3	ChEMBL_2355399	Inhibition of HDAC1 (unknown origin) using fluorogenic peptide as the substrate containing residues 379-382 of p53 pre-incubated for 15 mins followed by substrate addition incubated for 30 mins by multimode plate reader
50020289	1	ChEMBL_2355437	Displacement of [3H]diprenorphine from mouse KOR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr by radioligand displacement assay
50020290	1	ChEMBL_2355509	Inhibition of 5-LO (unknown origin)
50020290	2	ChEMBL_2355510	Inhibition of 5-LO in human neutrophils
50020290	3	ChEMBL_2355512	Inhibition of mPGES-1 (unknown origin)
50020291	1	ChEMBL_2355527	Inhibition of human UCHL1 incubated for 1 hr
50020291	2	ChEMBL_2355529	Inhibition of human UCHL3 incubated for 1 hr
50020292	1	ChEMBL_2355541	Inhibition of PI3Kalpha (unknown origin)
50020292	2	ChEMBL_2355542	Inhibition of PI3Kbeta (unknown origin)
50020292	3	ChEMBL_2355543	Inhibition of PI3Kgamma (unknown origin)
50020292	4	ChEMBL_2355544	Inhibition of PI3Kdelta (unknown origin)
50020293	1	ChEMBL_2355615	Inhibition of DPP-4 in human Caco-2 cells using H-Ala-Pro-pNA as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence based assay
50020293	2	ChEMBL_2355618	Inhibition of DPP-4 in human Epithelial cell
50020293	3	ChEMBL_2355620	Inhibition of DPP-4 (unknown origin) using H-Gly-Pro-AMC as substrate measured after 20 mins by fluorescence based assay
50020293	4	ChEMBL_2355621	Binding affinity to DPP-4 (unknown origin) using Gly-Pro-pNA as substrate assessed as inhibition constant
50020293	5	ChEMBL_2355622	Inhibition of DPP-4 (unknown origin) using Gly-Pro-pNA as substrate
50020293	6	ChEMBL_2355623	Inhibition of DPP-4 (unknown origin)
50020293	7	ChEMBL_2355629	Binding affinity to DPP-8 (unknown origin) assessed as inhibition constant
50020293	8	ChEMBL_2355630	Binding affinity to DPP-9 (unknown origin) assessed as inhibition constant
50020293	9	ChEMBL_2355631	Binding affinity to DPP-2 (unknown origin) assessed as inhibition constant
50020293	10	ChEMBL_2355632	Binding affinity to DPP-4 (unknown origin) assessed as inhibition constant
50020293	11	ChEMBL_2355633	Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate by fluorescence based assay
50020293	12	ChEMBL_2355634	Inhibition of His-tagged human DPP-8 expressed in baculovirus infected sf9 cells using H-Gly-Pro-AMC as substrate by fluorescence based assay
50020293	13	ChEMBL_2355635	Inhibition of His-tagged human DPP-9 expressed in baculovirus infected sf9 cells using H-Gly-Pro-AMC as substrate by fluorescence based assay
50020293	14	ChEMBL_2355636	Inhibition of DPP-4 (unknown origin) measured after 5 mins by fluorescence based assay
50020293	15	ChEMBL_2355638	Inhibition of DPP-4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by fluorescence based assay
50020293	16	ChEMBL_2355641	Inhibition of DPP-2 (unknown origin)
50020293	17	ChEMBL_2355644	Binding affinity to human recombinant DPP-4 using H-Gly-Pro-AMC as substrate assessed as inhibition constant measured after 30 mins by fluorescence based microplate reader analysis
50020293	18	ChEMBL_2355645	Binding affinity to human recombinant DPP-8 using H-Gly-Pro-AMC as substrate assessed as inhibition constant measured after 30 mins by fluorescence based microplate reader analysis
50020293	19	ChEMBL_2355646	Binding affinity to human recombinant DPP-9 using H-Gly-Pro-AMC as substrate assessed as inhibition constant measured after 30 mins by fluorescence based microplate reader analysis
50020293	20	ChEMBL_2355653	Inhibition of human recombinant DPP-4 (1 to 530 residues) using Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 5 mins by CF assay
50020293	21	ChEMBL_2355654	Inhibition of human recombinant DPP-4 in Caco-2 cells using GP-AMC as substrate by fluorescence based assay
50020293	22	ChEMBL_2355655	Inhibition of human recombinant DPP-4 using Gly-Pro-7-amido-4-methylcoumarin as substrate
50020293	23	ChEMBL_2355656	Inhibition of human recombinant DPP-4 expressed in human Caco-2 cells using H-Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate measured after 1 hrs by fluorescence based assay
50020293	24	ChEMBL_2355657	Inhibition of mouse DPP-4 using Gly-Pro-AMC as substrate measured after 5 mins by CF assay
50020293	25	ChEMBL_2355658	Binding affinity to human DPP-4 using gly-pro-pNA as substrate assessed as inhibition constant
50020293	26	ChEMBL_2355663	Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as substrate assessed as inhibition constant
50020293	27	ChEMBL_2355668	Inhibition of human recombinant FAPalpha expressed in baculovirus expression system using Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate by fluorescence based assay
50020293	28	ChEMBL_2355669	Inhibition of PEP expressed in human Erythrocyte cells using Z-Gly-Pro-AMC as substrate measured after 30 mins by fluorescence based assay
50020293	29	ChEMBL_2355670	Inhibition of C-terminal V5 epitope hexa his-tagged human recombinant DPP-8 (1 to 882 residues) expressed in Sf9 cells using H-Gly-Pro-AMC as substrate assessed as inhibition constant measured after 3 hrs by fluorescence based assay
50020293	30	ChEMBL_2355671	Inhibition of C-terminal hexa his-tagged human recombinant DPP-9 (1 to 863 residues) expressed in Pichia pastoris using H-Gly-Pro-AMC as substrate assessed as inhibition constant measured after 3 hrs by fluorescence based assay
50020293	31	ChEMBL_2355672	Inhibition of FAPalpha (unknown origin)
50020293	32	ChEMBL_2355673	Inhibition of PEP (unknown origin)
50020293	33	ChEMBL_2355674	Inhibition of human recombinant PEP expressed in baculovirus expression system using Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate by fluorescence based assay
50020293	34	ChEMBL_2355676	Inhibition of human DDP-8 in baculovirus infected Sf9 insect cells
50020293	35	ChEMBL_2355677	Inhibition of human DDP-9 in baculovirus infected Sf9 insect cells
50020293	36	ChEMBL_2355678	Inhibition of human recombinant DPP-2 expressed in baculovirus expression system using Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate by fluorescence based assay
50020293	37	ChEMBL_2355679	Inhibition of human recombinant DPP-9 expressed in baculovirus expression system using Ala-Pro-7-amido-4-trifluoromethylcoumarin as substrate by fluorescence based assay
50020293	38	ChEMBL_2355680	Inhibition of flag-tagged rat DPP-2 using LysAla-pNA as substrate measured after 60 mins by fluorescence based assay
50020293	39	ChEMBL_2355681	Inhibition of flag-tagged DPP-8 in HEK293F using GlyPro-pNA as substrate measured after 90 mins by fluorescence based assay
50020293	40	ChEMBL_2355682	Inhibition of flag-tagged DPP-9 in HEK293F using GlyPro-pNA as substrate measured after 90 mins by fluorescence based assay
50020293	41	ChEMBL_2355684	Inhibition of flag-tagged FAPalpha in HEK293F using GlyPro-pNA as substrate measured after 60 mins by fluorescence based assay
50020295	1	ChEMBL_2355727	Inhibition of human NOX2 expressed in HEK293T cells assessed as inhibition of LPS-induced superoxide production pre-incubated for 45 mins and measure after 10 mins by chemiluminescence based analysis
50020295	2	ChEMBL_2355728	Inhibition of human NOX1 expressed in CHO cells assessed as inhibition of PMA-induced hydrogen peroxide production pretreated for 15 mins followed by PMA stimulation and measured after 10 mins by Amplex Red based fluorescence analysis
50020295	3	ChEMBL_2355729	Inhibition of NOX2 in human PLB-985 cells assessed as inhibition of PMA-induced hydrogen peroxide production pretreated for 15 mins followed by PMA stimulation and measured after 10 mins by Amplex Red based fluorescence analysis
50020295	4	ChEMBL_2355730	Inhibition of human NOX4 expressed in HEK293T cells assessed as inhibition of teracycline-induced hydrogen peroxide production pretreated for 18 hrs with tetracycline and treated with compound for 15 mins and measured at 10 mins post-compound treatment by Amplex Red based fluorescence analysis
50020295	5	ChEMBL_2355731	Inhibition of human NOX5 expressed in HEK293 cells assessed as inhibition of ionomycin-induced hydrogen peroxide production pretreated for 15 mins followed by ionomycin stimulation and measured after 10 mins by Amplex Red based fluorescence analysis
50020295	6	ChEMBL_2355732	Inhibition of human NOX2 expressed in HEK cells assessed as inhibition of ionomycin-induced hydrogen peroxide production pre-incubated for 15 mins followed by ionomycin stimulation and measured after 10 mins by Fluorescence polarization assay
50020295	7	ChEMBL_2355733	Inhibition of human NOX1 expressed in HEK cells assessed as inhibition of ionomycin-induced hydrogen peroxide production pre-incubated for 15 mins followed by ionomycin stimulation and measured after 10 mins by Fluorescence polarization assay
50020295	8	ChEMBL_2355734	Inhibition of NOX2 (unknown origin) transfected in HEK cells
50020295	9	ChEMBL_2355735	Inhibition of NOX5 (unknown origin) transfected in HEK cells
50020295	10	ChEMBL_2355736	Inhibition of human NOX1 transfected in CHO cells assessed as PMA-induced hydrogen peroxide pre-incubated for 10 and measured after 15 mins by Amplex-red based fluorescence assay
50020295	11	ChEMBL_2355737	Inhibition of human NOX2 transfected in PLB-985 cells assessed as PMA-induced hydrogen peroxide pre-incubated for 10 and measured after 15 mins by Amplex-red based fluorescence assay
50020295	12	ChEMBL_2355738	Inhibition of human NOX3 transfected in HEK293-T-REx cells assessed as PMA-induced hydrogen peroxide production pre-incubated for 10 mins and measured after 15 mins by Amplex-res based fluorescence assay
50020295	13	ChEMBL_2355739	Inhibition of human NOX4 transfected in HEK293-T-REx cells assessed as PMA-induced hydrogen peroxide production pre-incubated for 10 mins and measured after 15 mins by Amplex-res based fluorescence assay
50020295	14	ChEMBL_2355740	Inhibition of human NOX5 transfected in HEK cells assessed as PMA-induced hydrogen peroxide production pre-incubated for 10 mins and measured after 15 mins by Amplex-res based fluorescence assay
50020295	15	ChEMBL_2355741	Inhibition of human DUOX1 transfected in HEK cells assessed as PMA-induced hydrogen peroxide production preincubated for 15 mins and measured after 10 mins by Amplex-red based fluorescence assay
50020295	16	ChEMBL_2355742	Inhibition of human DUOX2 transfected in HEK cells assessed as PMA-induced hydrogen peroxide production preincubated for 15 mins and measured after 10 mins by Amplex-red based fluorescence assay
50020295	17	ChEMBL_2355743	Binding affinity to human NOX1 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence base assay
50020295	18	ChEMBL_2355744	Binding affinity to human NOX2 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence base assay
50020295	19	ChEMBL_2355745	Binding affinity to human NOX4 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence base assay
50020295	20	ChEMBL_2355746	Binding affinity to human NOX2 assessed as inhibition constant
50020295	21	ChEMBL_2355747	Binding affinity to human NOX1 assessed as inhibition constant
50020295	22	ChEMBL_2355748	Binding affinity to human NOX4 assessed as inhibition constant
50020295	23	ChEMBL_2355749	Binding affinity to human NOX5 assessed as inhibition constant
50020295	24	ChEMBL_2355750	Inhibition of human NOX1 transfected in HEK293T cells incubated for 16 hrs and measured after 30 mins by luminol-chemiluminescence based assay
50020295	25	ChEMBL_2355751	Inhibition of human NOX2 transfected in HEK293T cells incubated for 16 hrs ans measured after 30 mins by luminol-chemiluminescence based assay
50020295	26	ChEMBL_2355752	Inhibition of human NOX3 transfected in HEK293T cells incubated for 16 hrs ans measured after 30 mins by luminol-chemiluminescence based assay
50020295	27	ChEMBL_2355753	Inhibition of human NOX4 transfected in HEK293T cells incubated for 16 hrs ans measured after 30 mins by luminol-chemiluminescence based assay
50020295	28	ChEMBL_2355754	Inhibition of NOX1 (unknown origin) expressed in HEK293 cells assessed as ROS production incubated for 45 mins and measured after 5 mins by chemiluminescent analysis
50020295	29	ChEMBL_2355755	Inhibition of human NOX2 transfected in HEK293T cells assessed as inhibition of PMA-induced superoxide production preincubated for 15 mins followed by PMA stimulation and measured after 10 mins by Amplex-red based analysis
50020295	30	ChEMBL_2355756	Inhibition of NOX2 (unknown origin) expressed in HEK293T cells assessed as inhibition of PMA-induced superoxide production preincubated for 15 mins followed by PMA stimulation and measured after 10 mins by Amplex-red based analysis
50020295	31	ChEMBL_2355757	Inhibition of human NOX2 assessed as reduction in ROS production using lucigenin as substrate in presence of NADPH by chemiluminescence based microplate reader analysis
50020295	32	ChEMBL_2355758	Inhibition of NOX2 (unknown origin)
50020295	33	ChEMBL_2355759	Binding affinity to NOX2 (unknown origin) assessed as inhibition constant
50020295	34	ChEMBL_2355760	Inhibition of human NOX2
50020295	35	ChEMBL_2355761	Inhibition of human NOX4 in T-REx-293 cells
50020295	36	ChEMBL_2355762	Inhibition of human NOX2 in PBMC cells
50020295	37	ChEMBL_2355763	Inhibition of NOX1 (unknown origin)
50020295	38	ChEMBL_2355764	Inhibition of NOX3 (unknown origin)
50020295	39	ChEMBL_2355765	Inhibition of NOX4 ( unknown origin)
50020295	40	ChEMBL_2355766	Inhibition of NOX5 (unknown origin)
50020295	41	ChEMBL_2355769	Inhibition of NOX2 (unknown origin) transfected in HEK293 cells assessed as inhibition of hydrogen peroxide production pe-incubated for 15 mins and measured after 10 mins by Amplex Red based fluorescence analysis
50020295	42	ChEMBL_2355770	Inhibition of NOX1 (unknown origin) expressed in HT 29 cells assessed as inhibition of PMA-induced hydrogen peroxide production pre-incubated for 15 mins and followed by PMA stimulation and measured after 10 mins by Amplex Red based analysis
50020296	1	ChEMBL_2355773	Antagonist activity at human alpha3/beta4 nAChR expressed in HEK293 cells assessed as nicotine-induced intracellular calcium release incubated for 15 mins by FLIPR analysis
50020296	2	ChEMBL_2355774	Antagonist activity at human alpha4/beta2 nAChR expressed in HEK293 cells assessed as nicotine-induced intracellular calcium release incubated for 15 mins by FLIPR analysis
50020296	3	ChEMBL_2355819	Binding affinity to human NET
50020297	1	ChEMBL_2355826	Inhibition of PI3K alpha (unknown origin)
50020297	2	ChEMBL_2355827	Inhibition of HDAC6 (unknown origin)
50020297	3	ChEMBL_2355831	Inhibition of HDAC1 (unknown origin)
50020297	4	ChEMBL_2355832	Inhibition of HDAC8 (unknown origin)
50020297	5	ChEMBL_2355833	Inhibition of HDAC11 (unknown origin)
50020297	6	ChEMBL_2355834	Inhibition of PI3Kbeta (unknown origin)
50020297	7	ChEMBL_2355835	Inhibition of PI3Kgamma (unknown origin)
50020297	8	ChEMBL_2355836	Inhibition of PI3Kdelta (unknown origin)
50020298	1	ChEMBL_2355845	Inhibition of TPH1 ( unknown origin )
50020300	1	ChEMBL_2355851	Inhibition of recombinant human galectin-3 expressed in Escherichia coli BL21 (DE3) cells binding to 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-di-methoxybenzamido)-1,1'-sulfanediyl-di-beta-D-galactopyranoside assessed as dissociation constant by fluorescence polarization assay
50020300	2	ChEMBL_2355852	Binding affinity to human galectin-3 assessed as dissociation constant by fluorescence polarization assay
50020300	4	ChEMBL_2355854	Binding affinity to recombinant human galectin-3 carbohydrate-recognition domain expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by Nano-ITC analysis
50020301	1	ChEMBL_2355920	Inhibition of Staphylococcus aureus sortase b transpeptidation expressed in Escherichia coli BL21 (DE3) cells using Fluorescent peptide as substrate at 16 ug/ml preincubated for 30 mins followed by substrate addition and measured for 1 hr by FRET assay
50020302	1	ChEMBL_2356009	Inhibition of human recombinant HDAC1 incubated for 15 mins by fluorescence based microplate analysis
50020302	2	ChEMBL_2356010	Inhibition of human recombinant HDAC2 incubated for 30 mins by fluorescence based microplate analysis
50020302	3	ChEMBL_2356011	Inhibition of human recombinant HDAC3 incubated for 15 mins by fluorescence based microplate analysis
50020302	4	ChEMBL_2356012	Inhibition of human recombinant HDAC8 incubated for 15 mins by fluorescence based microplate analysis
50020302	5	ChEMBL_2356013	Inhibition of HDAC4 (unknown origin) incubated for 30 mins by fluorescence based microplate analysis
50020302	6	ChEMBL_2356014	Inhibition of recombinant HDAC5 (unknown origin) incubated for 30 mins by fluorescence based microplate analysis
50020302	7	ChEMBL_2356015	Inhibition of human recombinant HDAC6 incubated for 10 mins by fluorescence based microplate analysis
50020302	8	ChEMBL_2356016	Inhibition of HDAC1 (unknown origin)
50020302	9	ChEMBL_2356017	Inhibition of HDAC2 (unknown origin)
50020302	10	ChEMBL_2356018	Inhibition of HDAC3 (unknown origin)
50020302	11	ChEMBL_2356019	Inhibition of HDAC8 (unknown origin)
50020302	12	ChEMBL_2356022	Inhibition of HDAC6 (unknown origin)
50020302	13	ChEMBL_2356023	Inhibition of human recombinant HDAC8 incubated for 10 mins by fluorescence based microplate analysis
50020302	14	ChEMBL_2356024	Inhibition of human recombinant HDAC6 incubated for 15 mins by fluorescence based microplate analysis
50020303	1	ChEMBL_2356128	Inhibition of HDAC6 (unknown origin)
50020303	2	ChEMBL_2356129	Inhibition of HDAC1 (unknown origin)
50020303	3	ChEMBL_2356182	Inhibition of recombinant UTX (unknown origin) using H3(17-44)K27me3 as substrate preincubated with compound for 30 mins followed by substrate addition by fluorescence based microplate reader analysis
50020303	4	ChEMBL_2356183	Inhibition of JMJD3 (unknown origin) by Alphascreen assay
50020305	1	ChEMBL_2356184	Inhibition of human plasma trypsin using Boc-Ile-Glu-Gly-Arg-AMC as substrate measured for 30 mins by fluorometric assay
50020305	2	ChEMBL_2356185	Inhibition of human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC as substrate measured for 30 mins by fluorometric assay
50020305	3	ChEMBL_2356188	Inhibition of human FXIa using Boc-Glu(OBzl)-Ala-Arg-AMC as substrate measured for 30 mins by fluorometric assay
50020305	4	ChEMBL_2356230	Inhibition of plasma Kallikrein (unknown origin) in buffer measured after 40 mins by fluorescence assay
50020305	5	ChEMBL_2356231	Inhibition of human plasma Kallikrein using H-Pro-Phe-Arg-AMC as substrate measured after 40 mins by fluorescence assay
50020305	6	ChEMBL_2356232	Inhibition of FXIa (unknown origin) measured after 40 mins by fluorescence assay
50020305	7	ChEMBL_2356235	Inhibition of human plasma Kallikrein using H-Pro-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay
50020305	8	ChEMBL_2356240	Inhibition of human plasma FXa using Boc-Ile-Glu-Gly-Arg-AMC as substrate measured for 30 mins by fluorometric assay
50020305	9	ChEMBL_2356241	Inhibition of human plasma Kallikrein using H-Pro-Phe-Arg-AMC as substrate measured for 30 mins by fluorometric assay
50020306	1	ChEMBL_2356271	Binding affinity to wildtype EGFR (unknown origin) assessed as inhibition constant in presence of ATP
50020306	2	ChEMBL_2356272	Binding affinity to EGFR L858R mutant (unknown origin) assessed as inhibition constant in presence of ATP
50020306	3	ChEMBL_2356273	Binding affinity to EGFR-D770-N771insNPG mutant (unknown origin) assessed as inhibition constant in presence of ATP
50020306	4	ChEMBL_2356274	Binding affinity to EGFR-A763-Y764insFQEA mutant (unknown origin) assessed as inhibition constant in presence of ATP
50020306	5	ChEMBL_2356275	Binding affinity to human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in insect cells assessed as inhibition constant in presence of ATP by fluorescence quenching assay
50020306	6	ChEMBL_2356288	Inhibition of wildtype EGFR (unknown origin) phosphorylation
50020306	7	ChEMBL_2356289	Inhibition of EGFR-D770-N771insNPG mutant (unknown origin) phosphorylation
50020307	1	ChEMBL_2356296	Inhibition of CDK9/cyclin T1 (unknown origin)
50020307	2	ChEMBL_2356297	Inhibition of CDK7/Cyclin H (unknown origin)
50020309	1	ChEMBL_2356351	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
50020309	2	ChEMBL_2356354	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction by HTRF assay
50020309	3	ChEMBL_2356356	Binding affinity to recombinant human PD-L1 (1 to 238 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50020309	4	ChEMBL_2356357	Binding affinity to recombinant His-tagged mouse PD-L1 (1 to 238 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50020310	1	ChEMBL_2356471	Inhibition of N-terminal hexa his tagged TRKA (485 to 795 residues) (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assay
50020310	2	ChEMBL_2356472	Inhibition of TRKC (unknown origin) using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assay
50020310	3	ChEMBL_2356473	Inhibition of TRKA G667C mutant (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assay
50020310	4	ChEMBL_2356474	Inhibition of TRKA G595R mutant (unknown origin) expressed in baculovirus expression system Sf9 cells using Ser/Thr 06 as peptide substrate incubated for 1 hr in presence of ATP by FRET based Z-LYTE assay
50020310	5	ChEMBL_2356496	Inhibition of Musk (unknown origin)
50020310	6	ChEMBL_2356497	Inhibition of Axl (unknown origin)
50020310	7	ChEMBL_2356498	Inhibition of DDR1 (unknown origin)
50020310	8	ChEMBL_2356499	Inhibition of EphA2 (unknown origin)
50020310	9	ChEMBL_2356500	Inhibition of EphA5 (unknown origin)
50020310	10	ChEMBL_2356501	Inhibition of EphA7 (unknown origin)
50020310	11	ChEMBL_2356502	Inhibition of FLT3 (unknown origin)
50020310	12	ChEMBL_2356503	Inhibition of Tie2 (unknown origin)
50020310	13	ChEMBL_2356504	Inhibition of CDK14 (unknown origin)
50020310	14	ChEMBL_2356505	Inhibition of Hck (unknown origin)
50020310	15	ChEMBL_2356506	Inhibition of KDR (unknown origin)
50020310	16	ChEMBL_2356507	Inhibition of Mer (unknown origin)
50020310	17	ChEMBL_2356508	Inhibition of P70S6K (unknown origin)
50020310	18	ChEMBL_2356509	Inhibition of RET (unknown origin)
50020310	19	ChEMBL_2356510	Inhibition of FLT4 (unknown origin)
50020311	1	ChEMBL_2356553	Inhibition of BTK (unknown origin)
50020311	2	ChEMBL_2356554	Inhibition of human FLT3
50020311	3	ChEMBL_2356555	Inhibition of wildtype human PDGFRalpha transfected with CHO cells by ADP-Glo assay
50020311	4	ChEMBL_2356556	Inhibition of SYK (unknown origin)
50020311	5	ChEMBL_2356560	Inhibition of N-terminal Avi-tagged human Cbl-b (40 to 426 residues) expressed in Escherichia coli by TR-FRET assay
50020311	6	ChEMBL_2356561	Inhibition of GST20-tagged human LRRK2 G2019S mutant using LRRKtide peptide preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET assay
50020311	7	ChEMBL_2356562	Inhibition of KIT V654A mutant (unknown origin) by FRET based assay
50020311	8	ChEMBL_2356563	Inhibition of KHK (unknown origin)
50020311	9	ChEMBL_2356564	Inhibition of EZH2 (unknown origin)
50020311	10	ChEMBL_2356565	Inhibition of LRRK2 (unknown origin)
50020311	11	ChEMBL_2356566	Inhibition of HIV protease
50020311	12	ChEMBL_2356567	Inhibition of KIT D816V mutant (unknown origin)
50020311	13	ChEMBL_2356568	Inhibition of PDGFRalpha D842V mutant (unknown origin)
50020311	14	ChEMBL_2356569	Inhibition of LRRK2 in human PBMCs assessed as reduction in Ser95 phosphorylation
50020312	1	ChEMBL_2356611	Binding affinity to His-tagged recombinant IGF2BP1 (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50020312	2	ChEMBL_2356612	Binding affinity to human recombinant IGF2BP1 assessed as dissociation constant by microscale thermophoresis analysis
50020315	1	ChEMBL_2356645	Binding affinity to GST-tagged androgen receptor LBD (unknown origin) incubated for 4 hrs by fluorescence polarization assay
50020315	2	ChEMBL_2356646	Binding affinity to CRBN (unknown origin) assessed as inhibition constant
50020316	1	ChEMBL_2356771	Inhibition of human recombinant enteropeptidase using 5FAM-Abu-Gly-Asp-Asp-Asp-Lys-Ile-Val-Gly-Gly-Lys(CPQ2)-Lys-Lys-NH2 as substrate incubated for 6 mins by fluorescence plate reader analysis
50020316	2	ChEMBL_2356772	Inhibition of human recombinant enteropeptidase using 5FAM-Abu-Gly-Asp-Asp-Asp-Lys-Ile-Val-Gly-Gly-Lys(CPQ2)-Lys-Lys-NH2 as substrate incubated for 120 mins by fluorescence plate reader analysis
50020317	1	ChEMBL_2356837	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) measured after 60 mins by FITC-betaAla-DEETGEF-OH probe based fluorescent polarization assay
50020318	1	ChEMBL_2356858	Inhibition of NLRP3 inflammasome in mouse JJ74.A1 cells assessed as inhibition of LPS/ATP-induced IL-1 beta secretion primed with LPS for 4.5 hs followed by incubation with compound for 30 mins and later stimulation with ATP for 30 mins by ELISA
50020322	1	ChEMBL_2356950	Inhibition of human CD38 using epslon-NAD as substrate and measured for 1 hrs by fluorescence based microplate reader analysis
50020322	2	ChEMBL_2356966	Inhibition of mouse CD38
50020324	1	ChEMBL_2357023	Binding affinity to PBRM1 bromodomain 5 (unknown origin) assessed as dissociation constant by BROMOscan LeadHunter assay
50020324	2	ChEMBL_2357024	Binding affinity to PBRM1 bromodomain 2 (unknown origin) assessed as dissociation constant by BROMOscan LeadHunter assay
50020324	3	ChEMBL_2357025	Binding affinity to SMARCA2 (unknown origin) assessed as dissociation constant by BROMOscan LeadHunter assay
50020324	4	ChEMBL_2357026	Binding affinity to SMARCA4 (unknown origin) assessed as dissociation constant by BROMOscan LeadHunter assay
50020324	5	ChEMBL_2357027	Binding affinity to wild type PBRM1 bromodomain 2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	6	ChEMBL_2357030	Binding affinity to PBRM1 bromodomain 2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	7	ChEMBL_2357031	Binding affinity to PBRM1 bromodomain 3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	8	ChEMBL_2357032	Binding affinity to PBRM1 bromodomain 4 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	9	ChEMBL_2357033	Binding affinity to PBRM1 bromodomain 5 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	10	ChEMBL_2357034	Binding affinity to SMARCA2 (unknown origin) assessed as dissociation constant by isothermal titration calorimetric analysis
50020324	11	ChEMBL_2357047	Binding affinity to PXR (unknown origin) by Lanthascreen TR-FRET assay
50020324	12	ChEMBL_2357048	Agonist activity at PXR (unknown origin) by cellular reporter assay
50020324	13	ChEMBL_2357049	Binding affinity to LXR alpha (unknown origin) by Lanthascreen TR-FRET assay
50020324	14	ChEMBL_2357050	Binding affinity to LXRbeta (unknown origin) by Lanthascreen TR-FRET assay
50020324	15	ChEMBL_2357051	Binding affinity to RXR alpha (unknown origin) by Lanthascreen TR-FRET assay
50020324	16	ChEMBL_2357052	Binding affinity to CAR (unknown origin) by Lanthascreen TR-FRET assay
50020324	17	ChEMBL_2357053	Binding affinity to PPAR alpha (unknown origin) by Lanthascreen TR-FRET assay
50020324	18	ChEMBL_2357054	Agonist activity at PPAR delta in GeneBLAzer PPARdelta-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition and measured after 2 hrs by fluorescence plate reader analysis
50020324	19	ChEMBL_2357055	Agonist activity at PPAR gamma in GeneBLAzer PPARgamma-UAS-bla HEK 293H cells preincubated with compound for 16 to 24 hrs followed by substrate addition and measured after 2 hrs by fluorescence plate reader analysis
50020324	20	ChEMBL_2357056	Agonist activity at LXRalpha in GeneBLAzer LXRalpha-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition and measured after 2 hrs by fluorescence plate reader analysis
50020324	21	ChEMBL_2357057	Agonist activity at LXRbeta in GeneBLAzer LXRbeta-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition and measured after 2 hrs by fluorescence plate reader analysis
50020324	22	ChEMBL_2357058	Agonist activity at RARalpha in GeneBLAzer RARalpha-UAS-bla HEK 293T cells preincubated with compound for 16 to 24 hrs followed by substrate addition and measured after 2 hrs by fluorescence plate reader analysis
50020324	23	ChEMBL_2357059	Agonist activity at LXR alpha (unknown origin) by cellular reporter assay
50020324	24	ChEMBL_2357060	Agonist activity at LXR beta (unknown origin) by cellular reporter assay
50020325	1	ChEMBL_2357125	Inhibition of human CA I assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50020325	2	ChEMBL_2357126	Inhibition of human CA II assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50020325	3	ChEMBL_2357127	Inhibition of human CA IX assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50020325	4	ChEMBL_2357128	Inhibition of human CA XII assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50020326	1	ChEMBL_2357139	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 15 mins by ELISA
50020326	2	ChEMBL_2357140	Inhibition of Candida albicans ATCC SC5314 CYP51 using lanosterol as substrate incubated for 30 mins by HPLC assay
50020326	3	ChEMBL_2357141	Binding affinity to PD-L1 (unknown origin) assessed as dissociation constant by SPR analysis
50020327	1	ChEMBL_2357223	Binding affinity to HIV1 GP41 using GP41 NHR derived N36 peptide assessed as binding constant by fluorescence polarization assay
50020327	2	ChEMBL_2357224	Binding affinity to HIV1 GP41 using GP41 NHR derived N36 peptide assessed as binding constant in presence of C34 by fluorescence polarization assay
50020328	1	ChEMBL_2357237	Inhibition of IDH2 R140Q mutant (unknown origin) in the presence of NADPH by fluorescence based analysis
50020328	2	ChEMBL_2357238	Inhibition of wildtype IDH2 (unknown origin) in the presence of NADPH by fluorescence based analysis
50020328	3	ChEMBL_2357239	Inhibition of IDH2 R140Q mutant (unknown origin)
50020328	4	ChEMBL_2357240	Inhibition of wildtype IDH2 (unknown origin)
50020328	5	ChEMBL_2357243	Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 16 hrs in the presence of NADPH by absorbance based plate reader analysis
50020328	6	ChEMBL_2357244	Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 1 hrs in the presence of NADPH by absorbance based plate reader analysis
50020328	7	ChEMBL_2357245	Inhibition of wildtype IDH2 (unknown origin) using alpha-ketoglutarate as substrate incubated for 1 hrs in the presence of NADPH by absorbance based plate reader analysis
50020328	8	ChEMBL_2357248	Inhibition of IDH2 R140Q mutant (unknown origin) expressed in human TF-1 cells assessed as inhibition of D2HG production incubated for 3 days by UHPL HRMS analysis
50020330	1	ChEMBL_2357325	Inhibition of 6xHis-tagged VHL (1 to 213 residues)/Elongin B/Elongin C (unknown origin) expressed in Escherichia coli BL21 cells using FAM-DEALAHyp-YIPD as substrate by fluorescence polarization assay
50020330	2	ChEMBL_2357326	Binding affinity to 6xHis-tagged VHL (1 to 213 residues)/Elongin B/Elogin C (unknown origin) expressed in Escherichia coli BL21 cells using FAM-DEALAHyp-YIPD as substrate assessed as dissociation constant by ITC analysis
50020330	3	ChEMBL_2357327	Inhibition of VHL/Elongin B/Elongin C (unknown origin) using FAM-DEALA-Hyp-YIPD as substrate by fluorescence polarization assay
50020330	4	ChEMBL_2357328	Binding affinity to VHL/Elongin B/Elongin C (unknown origin) using FAM-DEALA-Hyp-YIPMDDDFQLRSF as substrate assessed as dissociation constant by fluorescence polarization assay
50020330	5	ChEMBL_2357329	Binding affinity to VHL/Elongin B/Elongin C (unknown origin) assessed as dissociation constant by ITC analysis
50020330	6	ChEMBL_2357330	Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues)/Elongin B (1 to 104 residues)/Elongin C (17 to 112 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis
50020330	7	ChEMBL_2357331	Binding affinity to VHL (54 to 213 residues)/N-terminal Avi-tagged biotinylated-Elongin B (1 to 104 residues)/Elongin C (17 to 112 residues) (unknown origin) expressed in Escherichia coli cells immobilized in SA sensor chip assessed as dissociation constant by SPR analysis
50020330	8	ChEMBL_2357332	Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues)/Elongin B/Elogin C (unknown origin) using (FAM)-labeled HIF-1alpha peptide as substrate assessed as dissociation constant by fluorescence polarization assay
50020330	9	ChEMBL_2357335	Binding affinity to biotinylated VHL/Elongin B/Elongin C (unknown origin) immobilized in SA sensor chip assessed as dissociation constant by SPR analysis
50020330	10	ChEMBL_2357345	Inhibition of NanoLuc-fused VHL (unknown origin) transfected in live HEK293 cells using NanoGlo substrate incubated for 30 mins by tracer based NanoBRET assay
50020330	11	ChEMBL_2357346	Inhibition of NanoLuc-fused VHL (unknown origin) transfected in permeabilized HEK293 cells using NanoGlo substrate incubated for 30 mins by tracer based NanoBRET assay
50020331	1	ChEMBL_2357352	Displacement of fluorescent probe DAUDA from FABP3 (unknown origin) assessed as inhibition constant by fluorescence based microplate reader analysis
50020331	2	ChEMBL_2357353	Displacement of fluorescent probe DAUDA from FABP5 (unknown origin) assessed as inhibition constant by fluorescence based microplate reader analysis
50020331	3	ChEMBL_2357354	Displacement of fluorescent probe ANS from FABP7 (unknown origin) assessed as inhibition constant by fluorescence based microplate reader analysis
50020333	1	ChEMBL_2357359	Inhibition of His-tagged recombinant human c-Abl/ABL measured after 30 mins by ADP-GloTM assay
50020334	1	ChEMBL_2357451	Binding affinity to Rpn-13(unknown origin) pru domain assessed as dissociation constant by NMR analysis
50020335	1	ChEMBL_2357489	Inhibition of N-terminal human recombinant DPP9 expressed in Sf9 insect cells using Ala-Pro-paranitroanilide as substrate incubated for 15 mins by fluorescence based analysis
50020335	2	ChEMBL_2357490	Inhibition of N-terminal human recombinant DPP8 expressed in Sf9 insect cells using Ala-Pro-paranitroanilide as substrate incubated for 15 mins by fluorescence based analysis
50020335	3	ChEMBL_2357492	Inhibition of human seminal plasma DPP4 using Ala-Pro-paranitroanilide as substrate incubated for 15 mins by fluorescence based analysis
50020335	4	ChEMBL_2357493	Inhibition of human recombinant DPP2 using Lys-Ala-pNA as substrate incubated for 15 mins by fluorescence based analysis
50020335	5	ChEMBL_2357494	Inhibition of C-terminal His-tagged human recombinant FAP (27 to 760 residues) expressed in Sf9 insect cells using Z-Gly-Pro-7-amino-4-methylcoumarine as substrate incubated for 15 mins by fluorescence based analysis
50020335	6	ChEMBL_2357495	Inhibition of human recombinant PREP expressed in Escherichia coli BL21(DE3) using N-succinyl-Gly-Pro-AMC as substrate incubated for 15 mins by fluorescence based analysis
50020335	7	ChEMBL_2357496	Inhibition of DPP4 (unknown origin)
50020335	8	ChEMBL_2357497	Inhibition of DPP9 (unknown origin)
50020335	9	ChEMBL_2357498	Inhibition of DPP8 (unknown origin)
50020335	10	ChEMBL_2357499	Inhibition of DPP2 (unknown origin)
50020335	11	ChEMBL_2357500	Inhibition of FAP (unknown origin)
50020335	12	ChEMBL_2357501	Inhibition of PREP (unknown origin)
50020335	13	ChEMBL_2357503	Binding affinity to DPP9 (unknown origin) assessed as inhibition constant
50020335	14	ChEMBL_2357504	Binding affinity to DPP8 (unknown origin) assessed as inhibition constant
50020336	1	ChEMBL_2357557	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant preincubated for 15 mins and measured by phenol red based stopped-flow CO2 hydration assay
50020336	2	ChEMBL_2357558	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant preincubated for 15 mins and measured by phenol red based stopped-flow CO2 hydration assay
50020336	3	ChEMBL_2357559	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant preincubated for 15 mins and measured by phenol red based stopped-flow CO2 hydration assay
50020336	4	ChEMBL_2357560	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant preincubated for 15 mins and measured by phenol red based stopped-flow CO2 hydration assay
50020340	1	ChEMBL_2357588	Inhibition of human MGAT2 using 2-oleoylglycerol and oleoyl-coenzyme A as substrate by LC-MS analysis
50020340	2	ChEMBL_2357589	Inhibition of mouse MGAT2 using 2-oleoylglycerol and oleoyl-coenzyme A as substrate by LC-MS analysis
50020340	3	ChEMBL_2357594	Transactivation of PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as increase in luciferase activity incubated for overnight by Steady-Glo Luciferase analysis
50020340	4	ChEMBL_2357607	Inhibition of recombinant human DGAT2
50020340	5	ChEMBL_2357608	Inhibition of recombinant human DGAT1
50020340	6	ChEMBL_2357613	Inhibition of recombinant human MGAT1
50020340	7	ChEMBL_2357614	Inhibition of recombinant human AWAT1
50020340	8	ChEMBL_2357615	Inhibition of recombinant human AWAT2
50020340	9	ChEMBL_2357616	Inhibition of recombinant human DC3
50020340	10	ChEMBL_2357617	Inhibition of recombinant human ACAT1
50020340	11	ChEMBL_2357618	Inhibition of recombinant human ACAT2
50020340	12	ChEMBL_2357619	Inhibition of recombinant human MGAT3
50020341	1	ChEMBL_2357690	Inhibition of human mTOR (1360 to 2549 residues) measured after 2 hrs in presence of ATP by LANCE Ultra kinase assay
50020343	1	ChEMBL_2357805	Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate pre-incubated for 15 min and measured after 1 hrs by HTRF assay
50020343	2	ChEMBL_2357809	Inhibition of phosphorylated human LRRK2 G2019S mutant at S935 in human HEK293 cells incubated for 2 hrs
50020343	3	ChEMBL_2357810	Inhibition of human LRRK2 G2019S mutant phosphorylation at S1292 in human HEK293 cells incubated for 2 hrs
50020343	4	ChEMBL_2357869	Inhibition of phosphorylated human LRRK2 G2019S mutant at S93 in human HEK293 cells incubated for 2 hrs
50020344	1	ChEMBL_2357873	Inhibition of PI3Kalpha (unknown origin)
50020344	2	ChEMBL_2357874	Inhibition of PI3Kbeta (unknown origin)
50020344	3	ChEMBL_2357875	Inhibition of PI3Kdelta (unknown origin)
50020344	4	ChEMBL_2357876	Inhibition of PI3Kgamma (unknown origin)
50020344	5	ChEMBL_2357877	Inhibition of N-terminal GST-fused full-length human PI3Kalpha (1 to 1068 residues) expressed in baculovirus expression system using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50020344	6	ChEMBL_2357880	Inhibition of N-terminal 6xHis-tagged recombinant, full length human PI3Kbeta by ADP-Glo assay
50020344	7	ChEMBL_2357881	Inhibition of human PI3Kgamma expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay
50020344	8	ChEMBL_2357882	Inhibition of N-terminal 6xHis-tagged recombinant full-length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay
50020345	1	ChEMBL_2357904	Inhibition of human 8His-tagged AEP (V18 to Y433 residues) using Z-Ala-Ala-Asn-Rhl 10-(D-Pro) as substrate incubated for 30 mins followed by substrate addition by fluorescence based microplate reader analysis
50020346	1	ChEMBL_2357905	Inhibition of PIK3CA (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by ADP-Glo assay
50020346	2	ChEMBL_2357906	Inhibition of PIK3CA (unknown origin) expressed in MCF-10A cells incubated for 2 hrs by HTRF method
50020347	1	ChEMBL_2357926	Inhibition of RON (unknown origin)
50020347	2	ChEMBL_2357927	Inhibition of c-Met (unknown origin)
50020347	3	ChEMBL_2357928	Inhibition of N-terminal GST-tagged human recombinant RON (979 to 1400(end) residues) expressed in Sf21 cells incubated for 20 mins followed by ATP addition measured after 60 mins by TR-FRET based LanthaScreen kinase assay
50020348	1	ChEMBL_2357964	Displacement of biotinylated lipid pocket probes from His-tagged TEAD1 (unknown origin) preincubated for 4 hrs followed by lipid pocket probe addition and measured after 60 mins by TR-FRET assay
50020348	2	ChEMBL_2357965	Displacement of biotinylated lipid pocket probes from His-tagged TEAD2 (unknown origin) preincubated for 4 hrs followed by lipid pocket probe addition and measured after 60 mins by TR-FRET assay
50020348	3	ChEMBL_2357966	Displacement of biotinylated lipid pocket probes from His-tagged TEAD3 (unknown origin) preincubated for 4 hrs followed by lipid pocket probe addition and measured after 60 mins by TR-FRET assay
50020348	4	ChEMBL_2357967	Displacement of biotinylated lipid pocket probes from His-tagged TEAD4 (unknown origin) preincubated for 4 hrs followed by lipid pocket probe addition and measured after 60 mins by TR-FRET assay
50020351	1	ChEMBL_2357975	Binding affinity to CDK2/Cyclin E1 (unknown origin) using Ulight-MBP as substrate assessed as inhibition constant preincubated for 30 mins followed by substrate addition measured after 90 mins in presence of ATP by TR-FRET assay
50020351	2	ChEMBL_2357980	Binding affinity to ERK2 (unknown origin) using Ulight-MBP as substrate assessed as inhibition constant preincubated for 30 mins followed by substrate addition measured after 90 mins in presence of ATP by TR-FRET assay
50020352	1	ChEMBL_2357997	Displacement of biotinylated RBN011147 probe from PARP7 (unknown origin) preincubated for 1 hr followed by probe addition and measured after 1.5 hrs by electrochemiluminescent assay
50020352	2	ChEMBL_2357998	Inhibition of PARP7 in human NCI-H1373 cells assessed as increase in STAT1 phosphorylation at Tyr701 residue incubated for 48 hrs by LANCE Ultra TR-FRET assay
50020354	1	ChEMBL_2357999	Inhibition of FXa (unknown origin) incubated for 30 mins followed by substrate addition by fluorescence based analysis
50020354	2	ChEMBL_2358001	Inhibition of ATX (unknown origin) incubated for 30 mins by fluorescence based analysis
50020355	1	ChEMBL_2358003	Inhibition of N-terminal biotin-his-tagged MDMX (24 to 108 residues)(unknown origin) binding to p53 incubated for 1 hr by Alphascreen assay
50020356	1	ChEMBL_2358005	Binding affinity HSP90alpha (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020356	2	ChEMBL_2358006	Binding affinity HSP90beta (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020356	3	ChEMBL_2358008	Binding affinity HSP90alpha (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50020356	4	ChEMBL_2358009	Binding affinity HSP90beta (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50020356	5	ChEMBL_2358010	Binding affinity to Grp94 (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50020356	6	ChEMBL_2358011	Binding affinity to Trap1 (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50020357	1	ChEMBL_2358046	Binding affinity to N-terminal His6-tagged human DDB1 expressed in baculovirus infected Hi-5 insect cells assessed as dissociation constant by SPR analysis
50020358	1	ChEMBL_2358052	Inhibition of N-terminal GST-tagged human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH peptide as substrate incubated for 10 mins measured after 90 mins in presence of ATP by caliper mobility shift assay
50020358	2	ChEMBL_2358053	Inhibition of N-terminal GST-tagged human recombinant JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 peptide as substrate incubated for 10 mins measured after 90 mins in presence of ATP by caliper mobility shift assay
50020358	3	ChEMBL_2358054	Inhibition of N-terminal GST-tagged human recombinant JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 peptide as substrate incubated for 10 mins measured after 90 mins in presence of ATP by caliper mobility shift assay
50020358	4	ChEMBL_2358066	Inhibition of GST-tagged human recombinant JAK1 (866 to 1154 residues) expressed in insect cells
50020358	5	ChEMBL_2358067	Inhibition of GST-tagged human recombinant JAK2 (809 to 1153 residues) expressed in insect cells
50020358	6	ChEMBL_2358068	Inhibition of GST-tagged human recombinant JAK3 (781 to 1124 residues) expressed in insect cells
50020358	7	ChEMBL_2358069	Inhibition of GST-tagged human recombinant TYK2 (833 to 1187 residues) expressed in insect cells
50020359	1	ChEMBL_2358101	Inhibition of human TRPC5 expressed in HEK293T cells assessed as intracellular calcium influx by measuring Ca2+ flow inhibition after 30 mins by Fluo-4 AM dye based fluorescence analysis
50020360	1	ChEMBL_2358106	Inhibition of recombinant human wild-type VKORC1 expressed in Pichia pastoris membrane incubated for 30 mins in presence of presence of dithiothreitol by LC-APCI/MS/MS analysis
50020361	1	ChEMBL_2358267	Inhibition of ROCK1 (unknown origin)
50020361	2	ChEMBL_2358268	Inhibition of ROCK2 (unknown origin)
50020361	3	ChEMBL_2358272	Inhibition of AKT1 (unknown origin)
50020363	1	ChEMBL_2358322	Inhibition of ERK5 (unknown origin) by ADP-Glo kinase assay
50020364	1	ChEMBL_2358387	Binding affinity to Nurr1 LBD (unknown origin) assessed as dissociation constant by Isothermal titration calorimetry
50020364	2	ChEMBL_2358388	Agonist activity at Gal4-fused human full length Nurr1 transfected in human HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as activation of luciferase activity incubated for 16 hrs by Dual-Glo luciferase assay
50020364	3	ChEMBL_2358397	Agonist activity at Gal4-fused human full length Nurr1 transfected in human HEK293T cells co-transfected with pFR-Luc-NBRE/pRL-SV40 assessed as activation of NBRE luciferase activity incubated for 16 hrs by Dual-Glo luciferase assay
50020365	1	ChEMBL_2358423	Inhibition of N-terminal GST-tagged full length human PARP1 (2 to 1014 residues) expressed in baculovirus-infected Sf9 cells using histone as substrate incubated for 60 mins in presence of activated DNA, NAD+, NAD+-biotin by luminescence based analysis
50020365	2	ChEMBL_2358424	Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus-infected Sf9 cells using histone as substrate incubated for 60 mins in presence of activated DNA, NAD+, NAD+-biotin by luminescence based analysis
50020367	1	ChEMBL_2358445	Inhibition of human PD-L1 incubated for 15 mins by ELISA method
50020367	2	ChEMBL_2358456	Inhibition of CYP51 in Candida albicans SC5314 using lanosterol as substrate incubated for 60 mins by HPLC analysis
50020367	3	ChEMBL_2358457	Binding affinity to PD-L1 (unknown origin) immobilized on carboxy chip assessed as dissociation constant by SPR analysis
50020368	1	ChEMBL_2358530	Allosteric Inhibition of H2N-LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-amide-activated SHP2 (unknown origin) using DiFMUP as substrate pretreated with enzyme for 1 hr followed by substrate addition and measured after 20 mins by fluorescence based analysis
50020368	2	ChEMBL_2358531	Inhibition of SHP2 PTP domain (unknown origin) using DiFMUP as substrate pretreated with enzyme for 20 mins followed by substrate addition and measured for 2 hrs by fluorescence based analysis
50020368	3	ChEMBL_2358532	Inhibition of SHP1 (unknown origin) using DiFMUP as substrate pretreated with enzyme for 20 mins followed by substrate addition and measured for 2 hrs by fluorescence based analysis
50020369	1	ChEMBL_2358577	Inhibition of untagged SARS-CoV-2 JPN/TY/WK-521 Main protease using FRET-based UIVT3 as substrate by continuous fluorescence assay
50020370	1	ChEMBL_2358629	Inhibition of NLRP3 inflammasome in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/nigericin-induced IL-1 beta secretion pretreated with LPS for 3 hrs followed by incubation with compound for 40 mins and later stimulated with nigericin for 35 mins by ELISA
50020370	2	ChEMBL_2358631	Inhibition of NLRP3 inflammasome in C57BL/6 mouse BMDM cells assessed as inhibition of LPS/nigericin-induced IL-1 beta secretion pretreated with LPS for 3 hrs followed by incubation with compound for 40 mins and later stimulated with nigericin for 35 mins by ELISA
50020370	3	ChEMBL_2358663	Binding affinity to human recombinant NLRP3 (1 to 1036 residues) by surface plasmon resonance analysis
50020370	4	ChEMBL_2358693	Inhibition of NLRP3 inflammasome in PMA-differentiated human THP-1 cells assessed as inhibition of nigericin-induced IL-1 beta secretion pretreated with compound for 1 hr followed by stimulation with nigericin for 3 hrs by HTRF assay
50020370	5	ChEMBL_2358694	Inhibition of NLRP3 inflammasome in PMA-differentiated human THP-1 cells assessed as inhibition of Pam3CSK4-induced TNF-alpha secretion pretreated with compound for 1 hr followed by stimulation with Pam3CSK4 for 3 hrs by HTRF assay
50020371	1	ChEMBL_2358740	Inhibition of N-terminal his tagged human recombinant KHK-C expressed in Escherichia coli incubated for 60 mins in presence of ATP by ADP Glo assay
50020371	2	ChEMBL_2358748	Inhibition of N-terminal his tagged human recombinant KHK-A expressed in Escherichia coli incubated for 60 mins in presence of ATP by ADP Glo assay
50020371	3	ChEMBL_2358837	Inhibition of human Nav1.5 by manual-patch clamp assay
50020372	1	ChEMBL_2358886	Inhibition of wild-type full-length SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50020372	2	ChEMBL_2358887	Inhibition of full-length SHP2 E76K mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50020373	1	ChEMBL_2358964	Inhibition of asialofetuin binding to human recombinant Gal-1 transfected in Escherichia coli BL21 (DE3) incubated for 2 hrs by competitive solid-phase assay
50020373	2	ChEMBL_2358966	Binding affinity to human recombinant Gal-1 assessed as dissociation constant by ITC analysis
50020374	1	ChEMBL_2358973	Inhibition of human biotinylated-VEGFA165 binding to recombinant human NRP-2 measured after 2 hrs by chemiluminescent based ELISA
50020376	1	ChEMBL_2359058	Inhibition of C-terminal 6His/FLAG tagged human recombinant HDAC1 (1 to 482 residues) purified as tubulin complex expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	2	ChEMBL_2359059	Inhibition of N-terminal GST tagged human recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	3	ChEMBL_2359060	Inhibition of C-terminal 6His-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	4	ChEMBL_2359061	Inhibition of C-terminal His-tagged human recombinant HDAC3 (1 to 428 residues)/N-terminal GST tagged human NcoR2 (395 to 489 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	5	ChEMBL_2359062	Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC4 (627 to 1084 residues) expressed in Sf9 insect cells using Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	6	ChEMBL_2359067	Inhibition of N-terminal GST tagged human recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by microplate reader analysis
50020376	7	ChEMBL_2359068	Inhibition of N-terminal GST tagged human recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 2 hrs followed by substrate addition and measured after 90 mins by microplate reader analysis
50020378	1	ChEMBL_2359163	Agonist activity at TLR7 in human Ramos-blue cells assessed as increase in NFkappaB activation incubated for 72 hrs by quanti-blue/SEAP reporter gene based assay
50020380	1	ChEMBL_2359176	Inhibition of human recombinant LH2 expressed in CHO cells incubated for 30 mins by luciferase-based Succinate-GloTM JmjC Demethylase/Hydroxylase Assay
50020380	2	ChEMBL_2359177	Inhibition of human recombinant LH1 expressed in CHO cells incubated for 30 mins by luciferase-based Succinate-GloTM JmjC Demethylase/Hydroxylase Assay
50020380	3	ChEMBL_2359178	Inhibition of human recombinant LH3 expressed in CHO cells incubated for 30 mins by luciferase-based Succinate-GloTM JmjC Demethylase/Hydroxylase Assay
50020381	1	ChEMBL_2359185	Inhibition of human recombinant LSD1 expressed in Escherichia coli using H3K4me2 peptide as substrate incubated for 60 mins by AlphaLISA assay
50020382	1	ChEMBL_2359200	Inhibition of human Bcl-xL expressed in Escherichia coli BL21(DE3) T1R cells preincubated under shaking condition for 1 min and measured after 3 hrs by TR-FRET assay
50020382	2	ChEMBL_2359203	Inhibition of human Bcl-2 expressed in Escherichia coli BL21(DE3) T1R cells preincubated under shaking condition for 1 min and measured after 3 hrs by TR-FRET assay
50020383	1	ChEMBL_2359206	Inhibition of biotinylated-H3K4me2 binding to N-terminal His9 tagged human BPTF isoform 2 PHD (2722 to 2781 residues) expressed in Escherichia coli BL21 Star (DE3) measured after 1 hr by Alphascreen assay
50020386	1	ChEMBL_2359230	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using [NH2-C(EDANS)VNSTQSGLRK(DABCYL)M-COOH] FRET peptide as substrate pre-incubated for 20 mins followed by substrate addition enzyme activity measured every 5 mins for 120 mins by fluorescence assay
50020387	1	ChEMBL_2359239	Inhibition of full length N-terminal his6-tagged human recombinant SHP2 phosphatase activity using DiFMUP as substrate incubated for 30 mins
50020388	1	ChEMBL_2359240	Inhibition of C-terminal His 6 tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3)
50020389	1	ChEMBL_2359276	Inhibition of COX-1 (unknown origin) by human modified whole blood assay
50020389	2	ChEMBL_2359277	Inhibition of COX-2 (unknown origin) by human modified whole blood assay
50020389	3	ChEMBL_2359278	Inhibition of COX-1 in human whole blood preincubated for 60 mins followed by calcium ionophore A23187 addition and measured after 30 mins by radioimmunoassay
50020389	4	ChEMBL_2359279	Inhibition of COX-2 in human whole blood incubated for 18 hrs by radioimmunoassay
50020389	5	ChEMBL_2359280	Inhibition of COX-1 in human platelet in presence of arachidonic acid by human whole blood assay
50020389	6	ChEMBL_2359281	Inhibition of COX-2 in LPS-stimulated human monocytes by human whole blood assay
50020389	7	ChEMBL_2359283	Inhibition of human recombinant COX-1 transfected in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production preincubated for 15 mins followed by arachidonic acid addition and measured after 15 mins by chromogenic assay
50020389	8	ChEMBL_2359284	Inhibition of human recombinant COX-2 transfected in CHO cells assessed as inhibition of arachidonic acid-stimulated PGE2 production preincubated for 15 mins followed by arachidonic acid addition and measured after 15 mins by chromogenic assay
50020389	9	ChEMBL_2359285	Inhibition of COX-1 in human platelet
50020389	10	ChEMBL_2359286	Inhibition of COX-2 in IL-1-stimulated human synovial cell
50020389	11	ChEMBL_2359287	Inhibition of COX (unknown origin)
50020389	12	ChEMBL_2359288	Inhibition of COX-1 (unknown origin)
50020389	13	ChEMBL_2359289	Inhibition of COX-2 (unknown origin)
50020389	14	ChEMBL_2359290	Inhibition of JAK3 (unknown origin)
50020389	15	ChEMBL_2359291	Inhibition of JAK2 (unknown origin)
50020389	16	ChEMBL_2359292	Inhibition of JAK1 (unknown origin)
50020391	1	ChEMBL_2359297	Inhibition of PDE4 (unknown origin) using fluorescein-cAMP as substrate incubated for 45 mins by fluorescence polarization assay
50020393	1	ChEMBL_2359374	Inhibition of wildtype EZH1 (unknown origin)
50020393	2	ChEMBL_2359376	Inhibition of EZH2 (unknown origin)
50020393	3	ChEMBL_2359377	Inhibition of N-terminal His-tagged EZH2 (unknown origin) expressed in Sf9 cells
50020393	4	ChEMBL_2359378	Inhibition of human recombinant full length EZH1 measured after 30 mins by scintillation proximity assay
50020393	5	ChEMBL_2359379	Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay
50020393	6	ChEMBL_2359381	Inhibition of wild type EZH2 (unknown origin) by AlphaLISA assay
50020393	7	ChEMBL_2359382	Inhibition of human EZH1 by radiometric analysis
50020393	8	ChEMBL_2359383	Inhibition of wildtype EZH2 (unknown origin)
50020393	9	ChEMBL_2359384	Inhibition of N-terminal flag-tagged wildtype human EZH2 expressed in Sf9 cells incubated for 2 hrs by fluorescence based analysis
50020393	10	ChEMBL_2359385	Inhibition of N-terminal flag-tagged wildtype human EZH2 Y641F mutant expressed in Sf9 cells incubated for 2 hrs by fluorescence based analysis
50020393	11	ChEMBL_2359386	Inhibition of N-terminal FLAG-tagged recombinant full-length human EZH2 Y641F mutant in PRC2 complex expressed in baculovirus infected Sf9 cells using H3K27me0 biotin/SAM as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by HTRF assay
50020393	12	ChEMBL_2359387	Binding affinity to EZH2 (unknown origin) expressed in baculovirus infected Sf9 cells using H3K27me1 (H2N-RKQLATKAAR Kme1)SAPATGGVKKP-NTPEGBiot) as substrate preincubated for 10 mins followed by substrate addition measured after 4 hrs by
50020393	13	ChEMBL_2359388	Inhibition of C-terminal recombinant human EZH2
50020393	14	ChEMBL_2359389	Inhibition of wildtype EZH2 (unknown origin) by AlphaLISA methyltransferase assay
50020393	15	ChEMBL_2359390	Inhibition of EZH2 Y641F mutant (unknown origin)
50020393	16	ChEMBL_2359391	Inhibition of EZH2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 4 hrs by HTRF assay
50020393	17	ChEMBL_2359392	Inhibition of EZH2 (unknown origin) using plate-coated histone as substrate at 5 uM incubated for 90 mins in presence of 5 uM SAM by AlphaScreen assay
50020393	18	ChEMBL_2359394	Inhibition of EZH2 methyltransferase activity in human PA-1 cells assessed as reduction in H3K27me3 level measured after 4 days by Western blot analysis
50020393	19	ChEMBL_2359395	Inhibition of EZH2 (unknown origin) by fluorescence based analysis
50020393	20	ChEMBL_2359396	Inhibition of BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by TR-FRET assay
50020393	21	ChEMBL_2359397	Inhibition of EZH2 methyltransferase activity in human A2780 cells assessed as reduction in H3K27 level and measured after 96 hrs by Western blot analysis
50020393	22	ChEMBL_2359399	Inhibition of wildtype EZH1 expressed in human MCF-10A cells assessed as reduction in H3K27me3 level incubated for 1 hr by Western blot analysis
50020393	23	ChEMBL_2359400	Inhibition of human EZH2 in human MCF-10A cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by Western blot analysis
50020393	24	ChEMBL_2359401	Inhibition of EZH2 (unknown origin) in PRC2 complex using H3 (1 to 24 residues) and 3H-SAM as substrate incubated for 1 hrs by Scintillation proximity assay
50020393	25	ChEMBL_2359405	Inhibition of human recombinant EHMT2 G9a using SAM as substrate incubated for 1 hr by microplate luminescence based HMT assay
50020394	1	ChEMBL_2359424	Inhibition of JNK1 (unknown origin)
50020394	2	ChEMBL_2359425	Inhibition of JNK2 (unknown origin)
50020394	3	ChEMBL_2359426	Inhibition of JNK3 (unknown origin)
50020394	4	ChEMBL_2359427	Inhibition of JNK1 (unknown origin) incubated for 1 hrs
50020394	5	ChEMBL_2359428	Inhibition of JNK2 (unknown origin) incubated for 1 hrs
50020394	6	ChEMBL_2359429	Inhibition of JNK3 (unknown origin) incubated for 1 hrs
50020394	7	ChEMBL_2359430	Inhibition of human JNK1
50020394	8	ChEMBL_2359431	Inhibition of human JNK2
50020394	9	ChEMBL_2359432	Inhibition of human JNK3
50020394	10	ChEMBL_2359439	Inhibition of N-terminal GST-tagged recombinant full length human JNK1 expressed in baculovirus infected Sf9 insect cells using IPTTPITTTYFFFKKK as substrate incubated for 60 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50020394	11	ChEMBL_2359440	Inhibition of N-terminal GST-tagged recombinant full length human JNK2 expressed in baculovirus infected Sf9 cells using IPTTPITTTYFFFKKK as substrate incubated for 60 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50020394	12	ChEMBL_2359441	Inhibition of N-terminal GST-tagged recombinant full length human JNK3 expressed in baculovirus infected Sf9 cells using IPTTPITTTYFFFKKK as substrate incubated for 60 mins in the presence of ATP by ADP-Glo reagent based luminescence assay
50020395	1	ChEMBL_2359488	Inhibition of Dengue virus NS5/RNA-dependent RNA polymerase
50020395	2	ChEMBL_2359509	Inhibition of DENV His-tagged recombinant NS5/RNA-dependent RNA polymerase
50020395	3	ChEMBL_2359518	Inhibition of DENV C-terminal histidine-tagged NS5/RNA-dependent RNA polymerase
50020395	4	ChEMBL_2359520	Inhibition of DENV/NS5 RNA-dependent RNA polymerase
50020396	1	ChEMBL_2359524	Induction of ubiquitin proteasomal system dependent BLK degradation in human Ramos cells measured after 12 hrs by Western blot analysis
50020396	2	ChEMBL_2359525	Inhibition of N-terminal GST tagged BLK (1 to 505 end residues) (unknown origin) expressed in Sf21insect cells by time resolved fluorescence based assay
50020396	3	ChEMBL_2359532	Inhibition of full length N-terminal GST tagged BTK (2 to 659 end residues) (unknown origin) expressed in Sf21insect cells by time resolved fluorescence based assay
50020396	4	ChEMBL_2359533	Inhibition of SYK phosphorylation in human Ramos cells incubated for 1 hr
50020396	5	ChEMBL_2359558	Induction of ubiquitin proteasomal system dependent BLK degradation of BLK in human DOHH-2 cells by Western blot analysis
50020396	6	ChEMBL_2359561	Induction of ubiquitin proteasomal system dependent BLK degradation of BLK in human SU-DHL-4 cells by Western blot analysis
50020396	7	ChEMBL_2359564	Induction of ubiquitin proteasomal system dependent BLK degradation of BLK in human SU-DHL-6 cells by Western blot analysis
50020398	1	ChEMBL_2359569	Inhibition of IRAK4 (unknown origin) by Z-LYTE enzymatic kinase assay
50020399	1	ChEMBL_2359655	Displacement of Fluormone ES2 from full-length recombinant ER alpha (unknown origin) assessed as inhibition constant incubated for 2 hrs by fluorescent polarization based-competition binding assay
50020399	2	ChEMBL_2359658	Inhibition of ERalpha (unknown origin) incubated for 4 hrs by fluorescence polarization assay
50020399	3	ChEMBL_2359659	Inhibition of ERbeta (unknown origin) incubated for 4 hrs by fluorescence polarization assay
50020400	1	ChEMBL_2359665	Inhibition of human FLT3 using EAIYAAPFAKKK and [gamma-33P]-ATP as substrate pretreated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins in presence of 10 uM ATP by radiometric Hot-SpotSM Kinase assay
50020400	2	ChEMBL_2359668	Inhibition of human CDK2 pretreated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins in presence of 10 uM ATP by radiometric Hot-SpotSM Kinase assay
50020400	3	ChEMBL_2359670	Inhibition of human CDK6 pretreated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins in presence of 10 uM ATP by radiometric Hot-SpotSM Kinase assay
50020400	4	ChEMBL_2359676	Binding affinity to FLT3 D835H mutant (unknown origin)
50020400	5	ChEMBL_2359677	Binding affinity to FLT3 (unknown origin)
50020400	6	ChEMBL_2359694	Binding affinity to FLT3 D835V mutant (unknown origin)
50020400	7	ChEMBL_2359695	Binding affinity to FLT3 D835Y mutant (unknown origin)
50020400	8	ChEMBL_2359696	Binding affinity to FLT3 ITD mutant (unknown origin)
50020400	9	ChEMBL_2359697	Binding affinity to FLT3 ITD/D835V mutant (unknown origin)
50020400	10	ChEMBL_2359698	Binding affinity to FLT3 ITD/F691L mutant (unknown origin)
50020400	11	ChEMBL_2359699	Binding affinity to FLT3 K663Q mutant (unknown origin)
50020400	12	ChEMBL_2359700	Binding affinity to FLT3 N841I mutant (unknown origin)
50020400	13	ChEMBL_2359701	Binding affinity to FLT3 R834Q mutant (unknown origin)
50020400	14	ChEMBL_2359702	Binding affinity to autoinhibited FLT3 (unknown origin)
50020401	1	ChEMBL_2359731	Inverse agonist activity at GST-tagged RORgammat ligand binding domain (unknown origin) assessed as inhibition of biotinylated SRC1/SA-APC recruitment incubated for 1 hr by dual FRET assay
50020401	2	ChEMBL_2359735	Inverse agonist activity at human Gal4-fused RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity incubated for 18 to 20 hrs by luciferase reporter gene assay
50020402	1	ChEMBL_2359792	Inhibition of MAO A in mouse GL26 cells preincubated for 20 mins followed by 14C-labeled 5-hydroxytryptamine addition and measured after 20 mins by scintillation counter analysis
50020402	2	ChEMBL_2359793	Inhibition of human recombinant HSP90alpha preincubated for 30 mins followed by FITC-GM addition and mesured after 3 hrs by fluorescence polarization assay
50020404	1	ChEMBL_2359843	Inhibition of Electrophorus electricus AChE using ATCI as substrate pre-incubated for 10 mins followed by substrate addition measured after 5 mins by microplate reader analysis
50020404	2	ChEMBL_2359844	Inhibition of equine serum BuChE using BTCI as substrate pre-incubated for 10 mins followed by substrate addition measured after 5 mins by microplate reader analysis
50020404	3	ChEMBL_2359853	Inhibition of human 5-HT2A stably transfected in HEK293T cells measured after 1 hrs by FLIPR assay
50020404	4	ChEMBL_2359854	Inhibition of human 5-HT2B stably transfected in HEK293T cells measured after 1 hrs by FLIPR assay
50020404	5	ChEMBL_2359855	Inhibition of human 5-HT2C stably transfected in HEK293T cells measured after 1 hrs by FLIPR assay
50020404	6	ChEMBL_2359869	Displacement of [3H]5-HT from rat 5-HT7 assessed as inhibition constant
50020404	7	ChEMBL_2359870	Displacement of [3H]8-OH-DPAT from human 5-HT1A assessed as inhibition constant
50020404	8	ChEMBL_2359877	Inhibition of POP (unknown origin) using ZGP-AMC as substrate pre treated for 5 mins followed by substrate addition measured after 30 mins by ELISA assay
50020405	1	ChEMBL_2359932	Inhibition of recombinant human GSK-3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEE as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by Kinase-Glo luminescent kinase assay
50020406	1	ChEMBL_2359972	Inhibition of SIK1 (unknown origin)
50020406	2	ChEMBL_2359973	Inhibition of SIK2 (unknown origin)
50020406	3	ChEMBL_2359974	Inhibition of SIK3 (unknown origin)
50020406	4	ChEMBL_2359976	Inhibition of recombinant human SIK2 by caliper based kinase assay
50020407	1	ChEMBL_2360050	Competitive inhibition of recombinant human VPS34 in presence of ATP by TR-FRET assay
50020407	2	ChEMBL_2360051	Binding affinity to VPS34 (unknown origin) assessed as dissociation constant by KINOMEscan analysis
50020407	3	ChEMBL_2360052	Inhibition of recombinant human Vps34-Vps15 complex expressed in insect cells assessed as reduction in PtdIns phosphorylation in presence of gamma32P-ATP by radioactive assay
50020407	4	ChEMBL_2360053	Inhibition of Vps34 (unknown origin)
50020407	5	ChEMBL_2360057	Competitive inhibition of VPS34 (unknown origin) incubated for 15 mins in presence of ATP by ELISA
50020407	6	ChEMBL_2360058	Competitive inhibition of P13Kdelta (unknown origin) using PIP2:PS as substrate preincubated for 1 hr followed by substrate addition for 1 hr by ADP-Glo assay
50020407	7	ChEMBL_2360059	Competitive inhibition of Vps34 (unknown origin) using PI:PS as substrate preincubated for 1 hr followed by substrate addition for 1 hr by ADP-Glo assay
50020409	1	ChEMBL_2360060	Inhibition of 6xHis-tagged VHL (1 to 213 residues)/Elongin B/Elongin C (unknown origin) expressed in Escherichia coli BL21 cells using FAM-DEALAHyp-YIPD as substrate incubated for 1 min by fluorescence polarization assay
50020409	2	ChEMBL_2360061	Binding affinity to N-terminal 6xHis-tagged VHL (54 to 213 residues)/Elongin B (1 to 120 residues)/Elogin C (17 to 112 residues) (unknown origin) expressed in Escherichia coli BL21 cells using FAM-DEALAHyp-YIPD as substrate assessed as dissociation constant incubated for 2 mins by ITC analysis
50020409	3	ChEMBL_2360062	Binding affinity to VHL (unknown origin) assessed as inhibition constant
50020409	4	ChEMBL_2360063	Induction of HiBit-tagged BRD4 degradation in human A549 cells incubated for 4 to 24 hrs by luminescence based Nano-Glo assay
50020409	5	ChEMBL_2360069	Inhibition of recombinant MBP-tagged FEM1B/TAMRA-labeled FNIP (562 to 591 residues) interaction (unknown origin) preincubated for 1 hr followed by FNIP1 peptide addition and measured after 1 hr by fluorescence polarisation assay
50020409	6	ChEMBL_2360070	Inhibition of IA-rhodamine-labeled human RNF4 preincubated for 30 mins followed by IA-rhodamine addition for 1 hr by gel-based ABPP assay
50020409	7	ChEMBL_2360071	Inhibition of IA-rhodamine-labeled recombinant human RNF114 preincubated for 30 mins followed by IA-rhodamine addition for 30 mins by competitive gel-based ABPP assay
50020409	8	ChEMBL_2360072	Binding affinity to His-tagged wild type L3MBTL3 (unknown origin) assessed as dissociation constant by ITC analysis
50020410	1	ChEMBL_2360220	Binding affinity to BRAF V600E mutant in human WM278 cells by KINOMEscann Kinase binding assay
50020412	1	ChEMBL_2360231	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as reduction in PGF2alpha level preincubated for 5 mins followed by substrate addition measured after 2 mins in presence of heme by Ellman's method
50020412	2	ChEMBL_2360232	Inhibition of COX-2 (unknown origin)
50020412	3	ChEMBL_2360233	Inhibition of 15-LOX (unknown origin)
50020412	4	ChEMBL_2360235	Inhibition of sheep COX-1
50020412	5	ChEMBL_2360236	Inhibition of recombinant human COX-2
50020414	1	ChEMBL_2360243	Inhibition of human NSD3 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis
50020414	2	ChEMBL_2360244	Inhibition of human NSD1 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis
50020414	3	ChEMBL_2360245	Inhibition of human NSD2 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis
50020414	4	ChEMBL_2360246	Inhibition of human NSD1 SET domain assessed as reduction in H3K36 methylation
50020414	5	ChEMBL_2360247	Inhibition of human NSD2 SET domain assessed as reduction in H3K36 methylation
50020414	6	ChEMBL_2360248	Inhibition of human NSD3 SET domain assessed as reduction in H3K36 methylation
50020414	7	ChEMBL_2360249	Inhibition of G9a (unknown origin)
50020414	8	ChEMBL_2360250	Inhibition of GLP (unknown origin)
50020414	9	ChEMBL_2360251	Inhibition of N-terminal His-TEV-tagged human NSD3 (1054 to 1285 residues ) expressed in Escherichia coli using 3[H] SAM as substrate measured after 30 mins by biochemical assay
50020414	10	ChEMBL_2360252	Inhibition of N-terminal GST-tagged human NSD2 (941 to 1240 residues ) expressed in Escherichia coli using 3[H] SAM as substrate measured after 30 mins by biochemical assay
50020414	11	ChEMBL_2360253	Inhibition of N-terminal polyhistidine-tagged human NSD2 expressed in baculovirus infected insect cell using SAM as substrate preincubated for 20 mins followed by substrate addition measured after 1 hrs by hotspot assay
50020414	12	ChEMBL_2360254	Inhibition of N-terminal polyhistidine-tagged recombinant human NSD1 (1538 to 2696 residues) expressed in baculovirus infected insect cell using SAM as substrate preincubated for 20 mins followed by substrate addition measured after 1 hrs by hotspot assay
50020414	13	ChEMBL_2360255	Inhibition of N-terminal GST-fused recombinant human NSD3 (1021 to 1322 residues) expressed in Escherichia coli using SAM as substrate preincubated for 20 mins followed by substrate addition measured after 1 hrs by hotspot assay
50020414	14	ChEMBL_2360256	Inhibition of NSD3 PWWP1 domain (unknown origin) assessed as inhibition constant by SPR analysis
50020414	15	ChEMBL_2360257	Inhibition of NSD3 PWWP1 domain (unknown origin) by TR-FRET assay
50020414	16	ChEMBL_2360258	Binding affinity to human NSD3 PWWP1 domain assessed as dissociation constant by SPR analysis
50020414	17	ChEMBL_2360262	Binding affinity to human NSD3 PPWP1 domain (247 to 402 residues) expressed in Escherichia coli assessed as dissociation constant
50020414	18	ChEMBL_2360268	Inhibition of human NSD1 SET domain using histone H3 as substrate assessed as reduction in H3K36 methylation
50020414	19	ChEMBL_2360269	Inhibition of human NSD2 SET domain using histone H3 as substrate assessed as reduction in H3K36 methylation
50020414	20	ChEMBL_2360270	Inhibition of human NSD3 SET domain using histone H3 as substrate assessed as reduction in H3K36 methylation
50020415	1	ChEMBL_2360293	Activation of Nrf2 in human U2OS cells co-expressing Keap1 assessed as induction of Nrf2 nuclear translocation incubated for 6 hrs by PathHunter chemiluminescence based analysis
50020417	1	ChEMBL_2360341	Inhibition of N-terminal 6His-tagged SARS-CoV 2 nsp14 N7-methyltransferase activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins in presence of SAM by liquid scintillation counter analysis
50020417	2	ChEMBL_2360342	Inhibition of N-terminal 6His-tagged SARS-CoV nsp14 N7-methyltransferase activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins in presence of SAM by liquid scintillation counter analysis
50020417	3	ChEMBL_2360344	Inhibition of N-terminal 6His-tagged human RNMT activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins in presence of SAM by liquid scintillation counter analysis
50020418	1	ChEMBL_2360350	Inhibition of PD-I/PD-L2 interaction (unknown origin) expressed in HEK293 cells
50020418	2	ChEMBL_2360351	Inhibition of PD-I/PD-L2 interaction (unknown origin) expressed in human MDA-MB-23 cells
50020418	3	ChEMBL_2360352	Inhibition of PD-I/PD-L1 interaction (unknown origin) incubated for 15 mins by TR-FRET assay
50020418	4	ChEMBL_2360353	Inhibition of PD-I/PD-L1 interaction (unknown origin)
50020418	5	ChEMBL_2360354	Inhibition of Fc-fused recombinant human PD-I/His-tagged recombinant human PD-L1 interaction incubated overnight by HTRF assay
50020418	6	ChEMBL_2360355	Binding affinity to CM5 sensor chip immobilized human recombinant extracellular domain PD-L1 assessed as dissociation constant by SPR analysis
50020418	7	ChEMBL_2360356	Inhibition of PD-I/PD-L1 interaction (unknown origin) by ELISA
50020418	8	ChEMBL_2360357	Inhibition of biotinylated human PD-I /His-tagged PD-L1 (unknown origin) interaction incubated for 90 mins in dark condition by AlphaLISA assay
50020418	9	ChEMBL_2360361	Inhibition of PD-1/PD-L1 interaction (unknown origin) by HTRF assay
50020418	10	ChEMBL_2360362	Binding affinity to CM5 sensor chip immobilized recombinant human PD-L1 ectodomain (18 to 239 residues) assessed as dissociation constant by SPR assay
50020418	11	ChEMBL_2360367	Inhibition of human recombinant extracellular domain PD-L1 in human DU-145 cells incubated for 1 hr
50020418	12	ChEMBL_2360369	Inhibition of PD-I/PD-L1 interaction (unknown origin) by HTRF assay
50020418	13	ChEMBL_2360371	Inhibition of recombinant human PD-1 (33 to 150 residues)/recombinant human PD-L1 (18 to 134 residues) expressed Escherichia coli BL21 (DE3) cells by HTFR assay
50020421	1	ChEMBL_2360374	Inhibition of his6-tagged full length human RNase L expressed in insect cells incubated for 30 min by FRET assay
50020423	1	ChEMBL_2360381	Inhibition of LRRK2 (1326 to 2527 residues) in HEK293 cell lysate measured after 15 mins in presence of ATP
50020423	2	ChEMBL_2360382	Inhibition of LRRK2 G2019S mutant in HEK293 cell lysate measured after 15 mins in presence of ATP
50020423	3	ChEMBL_2360385	Inhibition of human LRRK2 measured after 60 mins by TR-FRET assay
50020423	4	ChEMBL_2360386	Inhibition of mouse LRRK2
50020423	5	ChEMBL_2360387	Inhibition of human LRRK2 G2019S mutant measured after 60 mins by TR-FRET assay
50020423	6	ChEMBL_2360390	Inhibition of LRRK2 G2019S mutant (unknown origin)
50020423	7	ChEMBL_2360391	Inhibition of LRRK2 (unknown origin) phosphorylation
50020423	8	ChEMBL_2360394	Inhibition of GST-tagged recombinant human LRRK2 expressed in Insect cell using ERM as substrate measured after 1 hrs
50020423	9	ChEMBL_2360395	Inhibition of GST-tagged human LRRK2 G2019S mutant expressed in Insect cell using ERM as substrate measured after 1 hrs
50020423	10	ChEMBL_2360396	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant in presence of ATP
50020423	11	ChEMBL_2360397	Inhibition of GST20-tagged human LRRK2 using ERM as substrate measured after 90 mins in presence of ATP by lanthascreen TR-FRET assay
50020423	13	ChEMBL_2360399	Inhibition of CLK2 (unknown origin) by fluorescence based assay
50020423	14	ChEMBL_2360404	Inhibition of recombinant N-terminal GST-tagged human LRRK2 expressed in Sf9 insect cells using H-RLGAWRFTTLRRARQGNTKQR-OH peptide as substrate
50020423	15	ChEMBL_2360405	Inhibition of recombinant N-terminal GST-tagged human G2019S LRRK2 expressed in Sf9 insect cells using H-RLGAWRFTTLRRARQGNTKQR-OH peptide as substrate
50020423	16	ChEMBL_2360406	Inhibition of recombinant human GST-tagged human LRRK2 (1326 to 2527 residues)
50020423	17	ChEMBL_2360407	Inhibition of recombinant human GST-tagged human LRRK2 G2019S mutant
50020423	18	ChEMBL_2360408	PROTAC activity at CRBN/LRRK2 in mouse RAW264.7 cells assessed as reduction of protein degradation measured after 24 hrs by Western blot analysis
50020423	19	ChEMBL_2360420	Inhibition of LRRK2 (unknown origin)
50020423	20	ChEMBL_2360421	Inhibition of human LRRK2 using LRRKtide as substrate measured after 1 hrs by caliper mobility shift assay
50020423	21	ChEMBL_2360423	Inhibition of human LRRK2 G2019S mutant using LRRKtide as substrate measured after 1 hrs by caliper mobility shift assay
50020423	22	ChEMBL_2360424	Inhibition of human LRRK2 G2019S mutant in presence of [gamma-33P]ATP by radiometric kinase assay
50020423	23	ChEMBL_2360426	Inhibition of human LRRK2
50020423	24	ChEMBL_2360427	Inhibition of human LRRK2 G2019S mutant
50020423	25	ChEMBL_2360428	Inhibition of human LRRK2 I2020T mutant
50020424	1	ChEMBL_2360429	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins in presence of ATP by HTRF assay
50020424	2	ChEMBL_2360443	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 15 mins in presence of 0.48 uM ATP by HTRF assay
50020424	3	ChEMBL_2360444	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 15 mins in presence of 2.4uM ATP by HTRF assay
50020424	4	ChEMBL_2360445	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 15 mins in presence of 7.2uM ATP by HTRF assay
50020424	5	ChEMBL_2360446	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 15 mins in presence of 24 uM ATP by HTRF assay
50020424	6	ChEMBL_2360447	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 40 mins in presence of 0.48 uM ATP by HTRF assay
50020424	7	ChEMBL_2360448	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 40 mins in presence of 2.4uM ATP by HTRF assay
50020424	8	ChEMBL_2360449	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 40 mins in presence of 7.2uM ATP by HTRF assay
50020424	9	ChEMBL_2360450	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 40 mins in presence of 24 uM ATP by HTRF assay
50020424	10	ChEMBL_2360451	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 60 mins in presence of 0.48 uM ATP by HTRF assay
50020424	11	ChEMBL_2360452	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 60 mins in presence of 2.4uM ATP by HTRF assay
50020424	12	ChEMBL_2360453	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 60 mins in presence of 7.2uM ATP by HTRF assay
50020424	13	ChEMBL_2360454	Inhibition of recombinant human Aurora A (1 to 403 residues) expressed in Escherichia coli using STK-substrate 2-biotin as substrate incubated for 60 mins in presence of 24 uM ATP by HTRF assay
50020425	1	ChEMBL_2360490	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
50020430	1	ChEMBL_2360506	Binding affinity to C-terminal 6His-tagged SARS-COV-2 recombinant S protein (Val16 to Arg685 residues) expressed in mammalian expression system assessed as dissociation constant by SPR analysis
50020431	1	ChEMBL_2360520	Inhibition of IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020431	2	ChEMBL_2360521	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/MS analysis
50020431	3	ChEMBL_2360522	Reversible binding affinity to IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant
50020431	4	ChEMBL_2360525	Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020431	5	ChEMBL_2360526	Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020431	6	ChEMBL_2360527	Inhibition of wild type IDH2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020431	7	ChEMBL_2360528	Inhibition of IDH2 R172K mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020431	8	ChEMBL_2360529	Inhibition of IDH2 R140Q mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50020432	1	ChEMBL_2360553	Binding affinity to recombinant human HSP90alpha assessed as dissociation constant by isothermal titration calorimetry assay
50020437	1	ChEMBL_2360580	Inhibition of recombinant SARS-CoV-2 Delta 3CL protease using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by fluorescence based microplate reader analysis
50020438	1	ChEMBL_2360595	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate and measured for 60 secs by Ellman's method
50020439	1	ChEMBL_2360625	Inhibition of mTOR (unknown origin) using Ulight-4E-BP1 peptide as substrate incubated for 45 mins in presence of ATP by Lance Ultra assay
50020440	1	ChEMBL_2360644	Agonist activity at full length human LXRalpha transfected in HEK293T cells co-expressing ABCA1 assessed as increase in luciferase activity measured after 18 hrs by reporter gene assay
50020440	2	ChEMBL_2360645	Agonist activity at full length human LXRbeta transfected in HEK293T cells co-expressing ABCA1 assessed as increase in luciferase activity measured after 18 hrs by luciferase reporter gene assay
50020441	1	ChEMBL_2360695	Inhibition of HIV-1 integrase expressed in HEK293T co-transfected with CS-II Luci vector incubated for 48 hrs by Bright-Glo luciferase assay
50020442	1	ChEMBL_2360720	Inhibition of XOD (unknown origin) using xanthine as substrate preincubated for 30 mins followed by xanthine addition measured after 30 mins by microplate reader
50020442	2	ChEMBL_2360751	Inhibition of XOD (unknown origin)
50020442	3	ChEMBL_2360752	Inhibition of URAT1(unknown origin)
50020443	1	ChEMBL_2360798	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ by fluorescence based analysis
50020443	2	ChEMBL_2360799	Binding affinity to human SIRT5 assessed as inhibition constant incubated for 0 to 180 mins in presence of varying concentrations of NAD+ by HPLC based Michaelis-Menten-plot analysis
50020443	3	ChEMBL_2360800	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ at 50 uM by fluorescence based analysis
50020443	4	ChEMBL_2360801	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ at 100 uM by fluorescence based analysis
50020443	5	ChEMBL_2360802	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ at 200 uM by fluorescence based analysis
50020443	6	ChEMBL_2360803	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ at 400 uM by fluorescence based analysis
50020443	7	ChEMBL_2360804	Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-Lys (Su)-AMC as fluorogenic substrate incubated for 2 hrs in presence of NAD+ at 800 uM by fluorescence based analysis
50020443	8	ChEMBL_2360805	Competitive inhibition of human recombinant SIRT5 (34 to 269 residues) incubated for 2 hrs in presence of 11 uM of fluorogenic substrate Ac-Leu-Gly-Ser-Lys (Su)-AMC by fluorescence based analysis
50020443	9	ChEMBL_2360806	Competitive inhibition of human recombinant SIRT5 (34 to 269 residues) incubated for 2 hrs in presence of 33 uM of fluorogenic substrate Ac-Leu-Gly-Ser-Lys (Su)-AMC by fluorescence based analysis
50020443	10	ChEMBL_2360807	Competitive inhibition of human recombinant SIRT5 (34 to 269 residues) incubated for 2 hrs in presence of 100 uM of fluorogenic substrate Ac-Leu-Gly-Ser-Lys (Su)-AMC by fluorescence based analysis
50020443	11	ChEMBL_2360808	Competitive inhibition of human recombinant SIRT5 (34 to 269 residues) incubated for 2 hrs in presence of 300 uM of fluorogenic substrate Ac-Leu-Gly-Ser-Lys (Su)-AMC by fluorescence based analysis
50020443	12	ChEMBL_2360817	Inhibition of recombinant SIRT1 (unknown origin) using Ac-Arg-Leu-Ile-Lys-(Ac) AMC as substrate in presence of NAD+
50020443	13	ChEMBL_2360818	Inhibition of recombinant SIRT3 (unknown origin) using Ac-Arg-Leu-Ile-Lys-(Ac) AMC as substrate in presence of NAD+
50020443	14	ChEMBL_2360819	Inhibition of human recombinant SIRT2 using Ac-Glu-Thr-Asp-Lys (Dec)-AM as substrate in presence of NAD+
50020443	15	ChEMBL_2360820	Inhibition of SIRT5 (unknown origin)
50020448	1	ChEMBL_2360854	Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from GST-tagged BRD4-BD1 (unknown origin) incubated for 3 hrs by HTRF based TR-FRET assay
50020448	2	ChEMBL_2360855	Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from BRD4-BD2 (unknown origin) incubated for 3 hrs by HTRF based TR-FRET assay
50020448	3	ChEMBL_2360856	Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from GST-tagged BRD2-BD1 (unknown origin) incubated for 3 hrs by HTRF based TR-FRET assay
50020448	4	ChEMBL_2360857	Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from GST-tagged BRD3-BD1 (unknown origin) incubated for 3 hrs by HTRF based TR-FRET assay
50020448	5	ChEMBL_2360858	Displacement of Biotin-tagged [Lys(5,8,12,16)Ac]H4(1 to 21) peptide from GST-tagged BRDT-BD1 (unknown origin) incubated for 3 hrs by HTRF based TR-FRET assay
50020448	6	ChEMBL_2360859	Inhibition of NanoLuc-tagged full length BRD4 (unknown origin) transfected in HEK293 cells coexpressing histone H4-halo-tagged fusion vector preincubated overnight followed by substrate addition and measured after 10 mins by NanoBRET assay
50020449	1	ChEMBL_2360863	Inhibition of recombinant human HPSE1 using biotinylated heparan sulfate-Eu cryptate as substrate pre-incubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence based HTRF assay
50020449	2	ChEMBL_2360864	Inhibition of recombinant human GUSbeta using 4-MUG as substrate pre-incubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescence based assay
50020450	1	ChEMBL_2360904	Inhibition of recombinant human HSP90 ATPase activity expressed in Escherichia coli BL21 incubated for 3 hrs in presence of ATP by malachite green dye based microplate reader analysis
50020451	1	ChEMBL_2360946	Inhibition of PDK1 (unknown origin) incubated for 30 mins in presence of ATP by kinase glo luminescent kinase assay
50020452	1	ChEMBL_2361010	Inhibition of Escherichia coli DHFR incubated for 10 mins in presence of NADPH by absorbance based analysis
50020453	1	ChEMBL_2361188	Inhibition of His6-tagged Mycobacterium tuberculosis reduced UDP-galactopyranose mutase expressed in Escherichia coli BL21 assessed as reduction in UDPGalf production using UDPGalp as substrate by HPLC analysis
50020453	2	ChEMBL_2361189	Inhibition of His6-tagged Mycobacterium tuberculosis reduced UDP-galactopyranose mutase expressed in Escherichia coli BL21 assessed as reduction in UDPGalf production using UDPGalp as substrate in presence of TritonX100 by HPLC analysis
50020456	1	ChEMBL_2361419	Displacement of [3H] 8-OH-DPAT from human recombinant 5-HT1A receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	2	ChEMBL_2361420	Displacement of [3H] GR125743 from human recombinant 5-HT1B receptor expressed in human Chem-1 cells incubated for 90 mins by spectrophotometric analysis
50020456	3	ChEMBL_2361421	Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	4	ChEMBL_2361422	Displacement of [3H] LSD from human recombinant 5-HT2B receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	5	ChEMBL_2361423	Displacement of [3H] mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	6	ChEMBL_2361424	Displacement of [3H] LSD from human recombinant 5-HT5A receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	7	ChEMBL_2361425	Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in human HeLa cells incubated for 120 mins by spectrophotometric analysis
50020456	8	ChEMBL_2361426	Displacement of [3H] LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cells incubated for 120 mins by spectrophotometric analysis
50020456	9	ChEMBL_2361427	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1a receptor expressed in human Chem-1 cells incubated for 60 mins by spectrophotometric analysis
50020456	10	ChEMBL_2361428	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1b receptor expressed in human Chem-1 cells incubated for 60 mins by spectrophotometric analysis
50020456	11	ChEMBL_2361429	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1d receptor expressed in HEK293 cells incubated for 60 mins by spectrophotometric analysis
50020456	12	ChEMBL_2361430	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2A receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	13	ChEMBL_2361431	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2b receptor expressed in human CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	14	ChEMBL_2361432	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2c receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	15	ChEMBL_2361433	Displacement of [3H] pyrilamine from human recombinant histamine H1 receptor expressed in CHO-K1 cells incubated for 180 mins by spectrophotometric analysis
50020456	16	ChEMBL_2361435	Displacement of [125I]-epibatidine from human recombinant nAChR alpha3beta4 receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis
50020456	17	ChEMBL_2361436	Inhibition of human recombinant MAO-A expressed in insect cells assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 75 mins by spectrophotometric analysis
50020456	18	ChEMBL_2361437	Displacement of [3H] 8-OH-DPAT from human recombinant 5-HT1A receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	19	ChEMBL_2361438	Displacement of [3H] GR125743 from human recombinant 5-HT1B receptor expressed in human Chem-1 cells assessed as inhibition constant incubated for 90 mins by spectrophotometric analysis
50020456	20	ChEMBL_2361439	Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	21	ChEMBL_2361440	Displacement of [3H] LSD from human recombinant 5-HT2B receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	22	ChEMBL_2361441	Displacement of [3H] mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	23	ChEMBL_2361442	Displacement of [3H] LSD from human recombinant 5-HT5A receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	24	ChEMBL_2361443	Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in human HeLa cells assessed as inhibition constant incubated for 120 mins by spectrophotometric analysis
50020456	25	ChEMBL_2361444	Displacement of [3H] LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 120 mins by spectrophotometric analysis
50020456	26	ChEMBL_2361445	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1a receptor expressed in human Chem-1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	27	ChEMBL_2361446	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1b receptor expressed in human Chem-1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	28	ChEMBL_2361447	Displacement of [3H] prazosin from human recombinant adrenergic alpha-1d receptor expressed in HEK293 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	29	ChEMBL_2361448	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2A receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	30	ChEMBL_2361449	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2b receptor expressed in human CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	31	ChEMBL_2361450	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2c receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020456	32	ChEMBL_2361451	Displacement of [3H] pyrilamine from human recombinant histamine H1 receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 180 mins by spectrophotometric analysis
50020456	33	ChEMBL_2361453	Displacement of [125I]-epibatidine from human recombinant nAChR alpha3beta4 receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by spectrophotometric analysis
50020457	1	ChEMBL_2361456	Inhibition of full-length recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) using FAM- KTSAVLQSGFRKMEK-TAMRA as substrate pre-incubated for 1 hr with compound followed by substrate addition measured after 30 mins by FRET analysis
50020460	1	ChEMBL_2361510	Binding affinity to human Y4R under sodium free condition
50020460	2	ChEMBL_2361511	Binding affinity to human Y4R under 150 mM sodium condition
50020460	3	ChEMBL_2361512	Binding affinity to human Y4R under 140 mM sodium condition
50020460	4	ChEMBL_2361513	Displacement of [K4]hPP from human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ
50020460	5	ChEMBL_2361515	Displacement of [3H]UR-MK299 from human Y1R expressed in SK-N-MC cells
50020460	6	ChEMBL_2361516	Displacement of [3H]propionyl-pNPY from human Y2R expressed in CHO cells
50020460	7	ChEMBL_2361517	Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ
50020460	8	ChEMBL_2361518	Displacement of [3H]propionyl-pNPY from human Y5R expressed in HEC-1B cells
50020460	9	ChEMBL_2361528	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ under sodium free buffer condition
50020460	10	ChEMBL_2361529	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ under DPBS condition
50020460	11	ChEMBL_2361533	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as dissociation constant under sodium free buffer condition
50020460	12	ChEMBL_2361537	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as dissociation constant preincubated for 20 mins under DPBS condition
50020460	13	ChEMBL_2361541	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ assessed as dissociation constant preincubated for 2 hrs under DPBS condition
50020460	14	ChEMBL_2361542	Binding affinity to human Y4R under 137 mM sodium condition
50020460	15	ChEMBL_2361543	Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ at 4 degreeC
50020460	16	ChEMBL_2361544	Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-15-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-2,11,14,17,20-pentaoxo-19-(4-(propanamido-2,3-t2)butanamido)-1,3,5,10,13,16,21-heptaazacyclopentacos-3-ene-9-carboxamide from human Y4R expressed in CHO cells coexpressing Gqi5-mtAEQ under hypotonic sodium free buffer condition
50020460	17	ChEMBL_2361545	Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-15-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-2,11,14,17,20-pentaoxo-19-(4-(propanamido-2,3-t2)butanamido)-1,3,5,10,13,16,21-heptaazacyclopentacos-3-ene-9-carboxamide from human Y4R expressed in CHO cells coexpressing Gqi5-mtAEQ under isotonic sodium containing buffer condition
50020460	18	ChEMBL_2361546	Binding affinity to human Y4R under hypotonic sodium free condition
50020461	1	ChEMBL_2361547	Displacement of Biotin-p53K381acK382me2 from N-terminal his6-tagged 53BP1 (1484 to 1603 residues) (unknown origin) expressed in Rosetta2 BL21 (DE3) pLysS competent cells by TR-FRET assay
50020461	2	ChEMBL_2361548	Binding affinity to N-terminal his6-tagged 53BP1 (1484 to 1603 residues) (unknown origin) expressed in Rosetta2 BL21 (DE3) pLysS competent cells assessed as dissociation constant by SPR analysis
50020461	3	ChEMBL_2361549	Binding affinity to N-terminal his6-tagged 53BP1 tandem tudor domain (1484 to 1603 residues) (unknown origin) expressed in Rosetta2 BL21 (DE3) pLysS competent cells assessed as dissociation constant by ITC analysis
50020461	4	ChEMBL_2361553	Displacement of Biotin-p53K381acK382me2 from SETDB1 tandem tudor domain (unknown origin) by TR-FRET assay
50020461	5	ChEMBL_2361554	Displacement of Biotin-p53K381acK382me2 from UHRF1 tandem tudor domain (unknown origin) by TR-FRET assay
50020461	6	ChEMBL_2361555	Displacement of Biotin-p53K381acK382me2 from PHF19 (unknown origin) by TR-FRET assay
50020461	7	ChEMBL_2361557	Displacement of Biotin-p53K381acK382me2 from CBX2 chromodomain (unknown origin) by TR-FRET assay
50020461	8	ChEMBL_2361558	Displacement of Biotin-p53K381acK382me2 from CDYL2 (unknown origin) by TR-FRET assay
50020461	9	ChEMBL_2361559	Displacement of Biotin-p53K381acK382me2 from MPP8 chromodomain (unknown origin) by TR-FRET assay
50020461	10	ChEMBL_2361566	Antagonist activity at nanoluc-tagged 53BP1 tandem tudor domain (unknown origin) transfected in HEK293T cells assessed as inhibition of 53BP1-H4 peptide interaction by nanoBRET assay
50020462	1	ChEMBL_2361584	Inhibition of human C-terminal 6-His tagged OSBP ORD domain (401 to 807 residues) expressed in baculovirus-infected Sf9 cells assessed as reduction in DHE transfer from liposome (Le mimicking ER) to liposome (Lg mimicking golgi) with compound by FRET assay
50020464	1	ChEMBL_2361629	Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based analysis
50020464	2	ChEMBL_2361630	Inhibition of human recombinant HDAC2 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based analysis
50020464	3	ChEMBL_2361631	Inhibition of human recombinant HDAC3 using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based analysis
50020464	4	ChEMBL_2361632	Inhibition of C-terminal FLAG-tagged human recombinant full length HDAC6 expressed in baculovirus expression system using Boc-Lys(Ac)-AMC as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50020464	5	ChEMBL_2361633	Inhibition of C-terminal His-tagged human recombinant full length HDAC8 (1 to 377 residues) expressed in Sf9 cells using Ac-Leu-Gly-Lys(trifluoroAc)-AMC as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 90 mins by fluorescence based analysis
50020464	6	ChEMBL_2361634	Inhibition of N-terminal GST-tagged/C-terminal His tagged human recombinant HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells using Ac-Leu-Gly-Lys(trifluoroAc)-AMC as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50020467	1	ChEMBL_2361698	Inhibition of BRD4 in human MDA-MB-231 cells assessed as downregulation of c-Myc protein level incubated for 24 hrs by Western blot analysis
50020467	2	ChEMBL_2361699	Inhibition of JAK1 in human MDA-MB-231 cells assessed as decrease in STAT3 phosphorylation at Tyr705 residue incubated for 24 hrs by Western blot analysis
50020467	3	ChEMBL_2361723	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based analysis
50020467	4	ChEMBL_2361724	Inhibition of JAK1 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	5	ChEMBL_2361725	Inhibition of recombinant BRD4 BD1 (unknown origin) using H4KAc as substrate incubated for 30 mins by HTRF analysis
50020467	6	ChEMBL_2361748	Inhibition of HDAC8 (unknown origin) using Boc-Lys-(trifluoroacetyl)-AMC as substrate incubated for 30 mins by fluorescence based analysis
50020467	7	ChEMBL_2361749	Inhibition of HDAC4 (unknown origin) using Boc-Lys-(trifluoroacetyl)-AMC as substrate incubated for 30 mins by fluorescence based analysis
50020467	8	ChEMBL_2361750	Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-AMC as substrate incubated for 30 mins by fluorescence based analysis
50020467	9	ChEMBL_2361751	Inhibition of HDAC11 (unknown origin) using Ac-ETDKrnyr-AMC as substrate incubated for 30 mins by fluorescence based analysis
50020467	10	ChEMBL_2361752	Inhibition of JAK2 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	11	ChEMBL_2361753	Inhibition of JAK3 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	12	ChEMBL_2361754	Inhibition of TYK2 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	13	ChEMBL_2361755	Inhibition of RET (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	14	ChEMBL_2361756	Inhibition of FLT3 (unknown origin) incubated for 40 mins in presence of ATP by Kinase-glo luminescent assay
50020467	15	ChEMBL_2361770	Inhibition of BRD4 in human MDA-MB-231 cells assessed as decrease in MCL-1 protein level incubated for 24 hrs by Western blot analysis
50020468	1	ChEMBL_2361806	Inhibition of Kv1.3 (unknown origin) expressed in HEK293 cells at -90 mV holding potential by automated patch-clamp technique
50020469	1	ChEMBL_2361812	Displacement of [3H]-LSD from human 5HT-6 receptor expressed in HEK293 cell membranes assessed as inhibition constant measured after 1 hr by microplate reader analysis
50020469	2	ChEMBL_2361822	Antagonist activity at mouse 5-HT3 receptor expressed in xenopus oocytes assessed as inhibition of 5-HT-induced inward currents incubated for 2 mins in presence of 3 uM 5-HT stimulation by two-electrode voltage-clamp based electrophysiological analysis
50020469	3	ChEMBL_2361823	Antagonist activity at mouse 5-HT3 receptor expressed in xenopus oocytes assessed as inhibition of 5-HT-induced inward currents incubated for 2 mins in presence of 10 uM 5-HT stimulation by two-electrode voltage-clamp based electrophysiological analysis
50020470	1	ChEMBL_2361868	Inhibition of human recombinant HDAC1 incubated for 15 mins by fluorimetry analysis
50020470	2	ChEMBL_2361869	Inhibition of human recombinant HDAC2 incubated for 15 mins by fluorimetry analysis
50020470	3	ChEMBL_2361870	Inhibition of human recombinant HDAC3 incubated for 10 mins by Spectrophotometric analysis
50020470	4	ChEMBL_2361871	Inhibition of human recombinant HDAC8 incubated for 60 mins by fluorimetry analysis
50020470	5	ChEMBL_2361872	Inhibition of human recombinant HDAC4 incubated for 30 mins by fluorimetry analysis
50020470	6	ChEMBL_2361873	Inhibition of human recombinant HDAC5 incubated for 30 mins by fluorimetry analysis
50020470	7	ChEMBL_2361874	Inhibition of human recombinant HDAC7 incubated for 30 mins by fluorimetry analysis
50020470	8	ChEMBL_2361875	Inhibition of human recombinant HDAC9 incubated for 30 mins by fluorimetry analysis
50020470	9	ChEMBL_2361876	Inhibition of human recombinant HDAC6 incubated for 30 mins by fluorimetry analysis
50020470	10	ChEMBL_2361877	Inhibition of human recombinant HDAC10 incubated for 45 mins by fluorimetry analysis
50020470	11	ChEMBL_2361878	Inhibition of human recombinant HDAC11 incubated for 30 mins by fluorimetry analysis
50020470	12	ChEMBL_2361879	Inhibition of HDAC6 (unknown origin) incubated for 30 mins
50020470	13	ChEMBL_2361880	Inhibition of HDAC6 (unknown origin) incubated for 20 hrs
50020471	1	ChEMBL_2362113	Inhibition of EE-tagged PI3KC2alpha (unknown origin) transfected in HEK293 cells incubated for 20 mins in the presence of ATP by TLC analysis
50020471	2	ChEMBL_2362114	Inhibition of N-terminal 6His-tagged PI3KC2alpha (299 to 1388 residues) (unknown origin) expressed in Escherichia coli DH10 infected in Sf21 insect cells incubated for 60 mins in the presence of ATP by Kinase-Glo reagent based luminescence plate reader analysis
50020471	3	ChEMBL_2362115	Inhibition of N-terminal 6His-tagged PI3KC2beta (unknown origin) expressed in Escherichia coli DH10 infected in Sf21 insect cells incubated for 60 mins in the presence of ATP by Kinase-Glo reagent based luminescence plate reader analysis
50020471	4	ChEMBL_2362117	Inhibition of GST-tagged recombinant human PI3KC2beta expressed in Sf9 cells
50020471	5	ChEMBL_2362120	Inhibition of PI3KC2alpha deltaN domain (unknown origin) preincubated for 5 mins followed by substrate addition and measured after 20 mins in the presence of 50 uM ATP by ADP-Glo reagent based Ultra-Glo luciferase assay
50020471	6	ChEMBL_2362131	Inhibition of PI3KC2alpha deltaN domain (unknown origin) preincubated for 5 mins followed by substrate addition and measured after 20 mins in the presence of 10 uM ATP by ADP-Glo reagent based Ultra-Glo luciferase assay
50020471	7	ChEMBL_2362132	Inhibition of PI3KC2beta (unknown origin)
50020471	8	ChEMBL_2362134	Inhibition of recombinant GST-tagged human PI3KC2alpha (142 to 1412 residues) expressed in baculovirus expression system using PI lipid kinase as substrate incubated for 1 hrs in the presence of 10 uM ATP by TR-FRET assay
50020471	9	ChEMBL_2362135	Inhibition of PI3KC2beta (unknown origin) using PI lipid kinase as substrate in the presence of 10 uM ATP by Adapta universal kinase assay
50020471	10	ChEMBL_2362136	Inhibition of PI3KC2gamma (unknown origin) in the presence of 10 uM ATP by Adapta universal kinase assay
50020472	1	ChEMBL_2362258	Inhibition of recombinant human N-terminal His-tagged TYK2 JH2 domain (577 to 870 residues) expressed in Sf9 cells using N-(2-(2-(2-((3-(5-acetamido-3-(3-(N,N-dimethylsulfamoyl)phenyl)-1H-pyrrolo[2,3-c]pyridin-1-yl)propyl)amino)-2-oxoethoxy)ethoxy)ethyl)-2',7'-difluoro-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide trifluoroacetate as substrate incubated for 60 mins by TR-FRET assay
50020472	2	ChEMBL_2362259	Inhibition of TYK2 in human T-blast cells assessed as IL-12 induced STAT4 phosphorylation at Tyr694 residue preincubated for 30 mins followed by IL-12 stimulation and measured after 20 mins by AlphaScreen assay
50020472	3	ChEMBL_2362260	Inhibition of JAK1 in human TF-1 cells assessed as reduction in IL-6 induced STAT3 phosphorylation at Tyr705 residue preincubated for 30 mins followed by IL-6 stimulation and measured after 30 mins by AlphaScreen assay
50020472	4	ChEMBL_2362263	Inhibition of TYK2 JH1 domain (unknown origin) by TR-FRET assay
50020472	5	ChEMBL_2362264	Inhibition of JAK1 JH1 domain (unknown origin) by TR-FRET assay
50020472	6	ChEMBL_2362267	Inhibition of JAK2 in human UT7 cells assessed as reduction in erythropoietin induced STAT5 phosphorylation preincubated for 30 mins followed by erythropoietin stimulation and measured after 20 mins by AlphaScreen assay
50020472	7	ChEMBL_2362268	Inhibition of JAK3 in human T-blast cells assessed as reduction in IL-2 induced STAT5 phosphorylation preincubated for 30 mins followed by IL-2 stimulation and measured after 20 mins by AlphaScreen assay
50020472	8	ChEMBL_2362293	Inhibition of TYK2 in human whole blood assessed as decrease in STAT4 phosphorylation preincubated for 30 mins followed by human IL-23 stimulation and measured after 20 mins by flow cytometry
50020472	9	ChEMBL_2362294	Inhibition of TYK2 in C57/B6 mouse whole blood assessed as decrease in STAT4 phosphorylation preincubated for 30 mins followed by mouse IL-12p70 stimulation and measured after 20 mins by flow cytometry
50020473	1	ChEMBL_2362366	Inhibition of fluorescent-labeled capsid assembly in Hepatitis B virus incubated for 1 hr by fluorescence based analysis
50020474	1	ChEMBL_2362399	Inhibition of wild type PKAc alpha (unknown origin) using CREB KRREILSRRPSYR-biotinylated peptide as substrate incubated for 45 mins in presence of ATP by ELISA
50020474	2	ChEMBL_2362414	Inhibition of PKG1 alpha (unknown origin)
50020474	3	ChEMBL_2362415	Inhibition of PKG1 beta (unknown origin)
50020474	4	ChEMBL_2362416	Inhibition of PKG2 (unknown origin)
50020474	5	ChEMBL_2362417	Inhibition of STLK3 (unknown origin)
50020474	6	ChEMBL_2362418	Inhibition of PKC theta (unknown origin)
50020474	7	ChEMBL_2362419	Inhibition of LATS1 (unknown origin)
50020474	8	ChEMBL_2362420	Inhibition of LATS2 (unknown origin)
50020474	9	ChEMBL_2362421	Inhibition of CLK1 (unknown origin)
50020474	10	ChEMBL_2362422	Inhibition of CLK2 (unknown origin)
50020474	11	ChEMBL_2362423	Inhibition of PKAc alpha (unknown origin)
50020475	1	ChEMBL_2362425	Inhibition of PARP1 (unknown origin)
50020475	2	ChEMBL_2362426	Inhibition of PARP2 (unknown origin)
50020475	3	ChEMBL_2362427	Inhibition of PARP7 (unknown origin)
50020475	4	ChEMBL_2362428	Inhibition of PARP1 (unknown origin) by ELISA assay
50020475	5	ChEMBL_2362429	Inhibition of PARP2 (unknown origin) by ELISA assay
50020475	6	ChEMBL_2362430	Inhibition of human recombinant PARP1 expressed in Escherichia coli BL21(DE3) incubated for 1 hr by ELISA assay
50020475	7	ChEMBL_2362431	Inhibition of human recombinant PARP2 expressed in Escherichia coli BL21(DE3) incubated for 1 hr by ELISA assay
50020475	8	ChEMBL_2362436	Inhibition of human recombinant N-terminal GST-tagged PARP1 (2 to 1014(end) residues) expressed in Sf9 cells
50020475	9	ChEMBL_2362437	Inhibition of human recombinant N-terminal GST-tagged PARP2 (2 to 583(end) residues) expressed in Sf9 cells
50020475	10	ChEMBL_2362438	Inhibition of human recombinant N-terminal GST-tagged PARP3 (2 to 540(end) residues) expressed in Sf9 cells
50020475	11	ChEMBL_2362439	Inhibition of human recombinant N-terminal GST-tagged TNKS1 (1001 to 1327(end) residues) expressed in Sf9 cells
50020475	12	ChEMBL_2362440	Inhibition of human recombinant N-terminal GST-tagged TNKS2 (849 to 1166(end) residues) expressed in Sf9 cells
50020475	13	ChEMBL_2362441	Inhibition of human recombinant N-terminal GST-tagged PARP6 (1 to 630(end) residues) expressed in Sf9 cells
50020475	14	ChEMBL_2362442	Inhibition of human recombinant N-terminal FLAG-tagged PARP7 (400 to 657(end) residues) expressed in Sf9 cells
50020475	15	ChEMBL_2362443	Inhibition of PARP8 (unknown origin)
50020475	16	ChEMBL_2362451	Inhibition of human N-terminal FLAG-tagged/C-terminal Strep-tagged recombinant PARP10 (805 to 1025 residues) expressed in Sf9 cells
50020475	17	ChEMBL_2362452	Inhibition of human N-terminal FLAG-tagged/C-terminal His-tagged recombinant PARP11 (8 to 338 (end) residues) expressed in Sf9 cells
50020475	18	ChEMBL_2362453	Inhibition of human N-terminal FLAG/His-tagged recombinant PARP12 (500 to 701(end) residues) expressed in Sf9 cells
50020475	19	ChEMBL_2362454	Inhibition of human N-terminal GST/His-tagged recombinant PARP14 (1470 to 1801(end) residues) expressed in Sf9 cells
50020475	20	ChEMBL_2362455	Inhibition of human N-terminal GST-tagged recombinant PARP15 (221 to 444(end) residues) expressed in Escherichia coli
50020476	1	ChEMBL_2362494	Agonist activity at human TLR4 in human HEK-Blue hTLR4 cells assessed as NF-kappaB activation incubated for 48 hrs by SEAP reporter gene based Quanti-blue assay
50020476	2	ChEMBL_2362495	Agonist activity at TLR4 in mouse RAW264.7 cells assessed as induction of MIP-1beta release incubated for 24 hrs by ELISA
50020476	3	ChEMBL_2362502	Agonist activity at mouse TLR4 in human HEK-Blue mTLR4 cells assessed as NF-kappaB activation incubated for 48 hrs by SEAP reporter gene based Quanti-blue assay
50020476	4	ChEMBL_2362503	Agonist activity at TLR4 in human MONO-MAC-6 cells assessed as induction of MIP-1beta release incubated for 24 hrs by ELISA
50020476	5	ChEMBL_2362504	Agonist activity at TLR4 in human PBMC cells assessed as induction of MIP-1beta release incubated for 20 hrs by ELISA
50020476	6	ChEMBL_2362505	Agonist activity at TLR4 in human PBMC cells assessed as induction of TNFalpha release incubated for 20 hrs by ELISA
50020476	7	ChEMBL_2362506	Agonist activity at TLR4 in human PBMC cells assessed as induction of IL-1beta release incubated for 20 hrs by ELISA
50020476	8	ChEMBL_2362507	Agonist activity at TLR4 in human PBMC cells assessed as induction of RANTES release incubated for 20 hrs by ELISA
50020477	1	ChEMBL_2362532	Inhibition of human DGAT2 using 14C decanoyl-CoA as a substrate pre incubated for 2 hrs followed by substrate addition measured after 40 mins by Trilux Microbeta reader analysis
50020477	2	ChEMBL_2362551	Inhibition of rat DGAT2 using 14C decanoyl-CoA as a substrate pre incubated for 2 hrs followed by substrate addition measured after 40 mins by Trilux Microbeta reader analysis
50020477	3	ChEMBL_2362556	Inhibition of DGAT2 in human hepatocytes using 14C-glycerol as a substrate pre incubated for 45 mins followed by substrate addition and measured after 3 hrs by thin-layer chromatography
50020477	4	ChEMBL_2362557	Inhibition of DGAT1 (unknown origin)
50020477	5	ChEMBL_2362558	Inhibition of MGAT1 (unknown origin)
50020477	6	ChEMBL_2362559	Inhibition of MGAT2 (unknown origin)
50020477	7	ChEMBL_2362560	Inhibition of MGAT3 (unknown origin)
50020478	1	ChEMBL_2362603	Inhibition of His-tagged TEAD1 (unknown origin) preincubated for 0.5 to 4 hrs followed by biotinylated lipid pocket probe addition and measured after 60 min by TR-FRET assay
50020478	2	ChEMBL_2362604	Inhibition of His-tagged TEAD2 (unknown origin) preincubated for 0.5 to 4 hrs followed by biotinylated lipid pocket probe addition and measured after 60 min by TR-FRET assay
50020478	3	ChEMBL_2362605	Inhibition of His-tagged TEAD3 (unknown origin) preincubated for 0.5 to 4 hrs followed by biotinylated lipid pocket probe addition and measured after 60 min by TR-FRET assay
50020478	4	ChEMBL_2362606	Inhibition of His-tagged TEAD4 (unknown origin) preincubated for 0.5 to 4 hrs followed by biotinylated lipid pocket probe addition and measured after 60 min by TR-FRET assay
50020479	1	ChEMBL_2362607	Inhibition of human parainfluenza virus type 1 Hemagglutinin-Neuraminidase using MUN as substrate assessed as reduction in neuraminidase activity incubated for 30 mins by fluorescence based analysis
50020479	2	ChEMBL_2362608	Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidase using 4-MUNeu5Ac as substrate assessed as reduction in neuraminidase activity incubated for 30 mins by spectrofluorometric analysis
50020479	3	ChEMBL_2362612	Inhibition of human parainfluenza virus type 1 Sendai Hemagglutinin-Neuraminidase infected in chicken RBC assessed as reduction in virus-induced hemagglutination of erythrocytes pre incubated for 20 mins followed by addition of chicken erythrocytes measured after 90 mins
50020480	1	ChEMBL_2362658	Inhibition of human EBP isolated from HEK293T cells assessed as reduction in dihydrolathosterol-d5 formation using zymosterol-d5 as substrate pre incubated for 30 mins followed by substrate addition and incubated at 37 degC for 4 hrs by LC-APCI MRM MS analysis
50020482	1	ChEMBL_2362667	Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs by FRET based Z-LYTE assay
50020482	2	ChEMBL_2362668	Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs in presence of asciminib by FRET based Z-LYTE assay
50020482	3	ChEMBL_2362669	Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs in presence of dasatinib by FRET based Z-LYTE assay
50020482	4	ChEMBL_2362670	Inhibition of wild type human BCR-ABL1 using Tyr2 peptide as substrate incubated for 1 hrs in presence of ponatinib by FRET based Z-LYTE assay
50020482	5	ChEMBL_2362671	Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incubated for 1 hrs by FRET based Z-LYTE assay
50020482	6	ChEMBL_2362672	Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incubated for 1 hrs in presence of asciminib by FRET based Z-LYTE assay
50020482	7	ChEMBL_2362673	Inhibition of human BCR-ABL1 T315I mutant using Tyr2 peptide as substrate incubated for 1 hrs in presence of ponatinib by FRET based Z-LYTE assay
50020485	1	ChEMBL_2362703	Inhibition of GDP-bound biotinylated-KRAS G12D mutant (1 to 169 residues) (unknown origin) assessed as suppression of SOS1-mediated nucleotide exchange by measuring reduction in KRAS G12D mutant-RAF RBD complex formation preincubated for 60 mins followed by SOS1 addition and further incubated for 60 mins and subsequent addition of KRAS G12D mutant-RAF RBD mixture measured after 30 to 60 mins by FRET assay
50020485	2	ChEMBL_2362704	Inhibition of wild-type GDP-bound biotinylated-KRAS (unknown origin) assessed as suppression of SOS1-mediated nucleotide exchange by measuring reduction in KRAS-RAF RBD complex formation preincubated for 60 mins followed by SOS1 addition and further incubated for 60 mins and subsequent addition of KRAS-RAF RBD mixture measured after 30 to 60 mins by FRET assay
50020485	3	ChEMBL_2362706	Inhibition of KRAS G12D mutant in human ASPC1 cells assessed as reduction in ERK phosphorylation measured after 4 hrs by HTRF assay
50020486	1	ChEMBL_2362734	Inhibition of amino terminal HA-tagged human RIPK2 transfected in mouse AML12 cells assessed as inhibition of autophosphorylation incubated for 24 hrs by immunoprecipitation analysis
50020486	2	ChEMBL_2362735	Inhibition of p38-MAPK (unknown origin)
50020486	3	ChEMBL_2362736	Inhibition of EGFR (unknown origin)
50020486	4	ChEMBL_2362737	Inhibition of human RIPK2 (8 to 317 residues) expressed in Sf9 cells in presence of ATP by ADP Glo assay
50020486	5	ChEMBL_2362738	Inhibition of Abl (unknown origin) in presence of ATP by ADP Glo assay
50020486	6	ChEMBL_2362739	Inhibition of RAF-1 (unknown origin)
50020486	7	ChEMBL_2362740	Inhibition of VEGFR2 (unknown origin)
50020486	8	ChEMBL_2362741	Inhibition of recombinant RIPK2 (unknown origin) expressed in insect cells using RBER-CHKtide as substrate assessed as inhibition of tyrosine autophosphorylation preincubated with compound for 15 mins followed by substrate addition and measured after 30 mins
50020486	9	ChEMBL_2362742	Inhibition of recombinant RIPK2 (unknown origin) using CRRKSLVGTPYWMAPE peptide as substrate assessed as inhibition of autophosphorylation incubated for 90 mins in presence of ATP by Transcreener ADP FP assay
50020486	10	ChEMBL_2362744	Inhibition of p38 (unknown origin) by KINOMEscan assay
50020486	11	ChEMBL_2362745	Inhibition of EGFR (unknown origin) by KINOMEscan assay
50020486	12	ChEMBL_2362746	Inhibition of human RIPK2 assessed as inhibition of autophosphorylation incubated for 45 to 60 mins in presence of 32P-gamma-ATP by immunoprecipitation analysis
50020486	13	ChEMBL_2362747	Inhibition of RIPK2 (unknown origin)
50020487	1	ChEMBL_2362757	Antagonist activity at human V1b receptor transfected in HEK293 cells by FRET assay
50020488	1	ChEMBL_2362786	Inhibition of Cy5-labeled p22phox (149 to 162 residues) probe binding to His-tagged human p47phox (151 to 286 residues) expressed in Escherichia coli BL21 (DE3) pLysS incubated for 10 to 15 mins by fluorescence polarization assay
50020488	2	ChEMBL_2362790	Inhibition of Cy5-labeled p22phox (149 to 162 residues) probe binding to His-tag cleaved human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS incubated for 10 to 15 mins in presence of 0.005% Tween20 and 2% DMSO by fluorescence polarization assay
50020488	3	ChEMBL_2362791	Inhibition of Cy5-labeled p22phox (149 to 168 residues) probe binding to His-tagged human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS incubated for 10 to 15 mins in presence of 0.005% Tween20 and 2% DMSO by fluorescence polarization assay
50020488	4	ChEMBL_2362792	Inhibition of Cy5-labeled p22phox (149 to 168 residues) probe binding to His-tag cleaved human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS incubated for 10 to 15 mins in presence of 0.01% Triton X-100, 2% DMSO by fluorescence polarization assay
50020488	5	ChEMBL_2362793	Inhibition of Cy5-labeled p22phox (149 to 168 residues) probe binding to His-tag cleaved human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS incubated for 10 to 15 mins in presence of 0.02% Triton X-100, 2% DMSO by fluorescence polarization assay
50020488	6	ChEMBL_2362794	Binding affinity to His-tagged human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS assessed as dissociation constant at steady state by SPR analysis
50020488	7	ChEMBL_2362796	Binding affinity to His-tagged human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS assessed as kinetics dissociation constant by SPR analysis
50020488	8	ChEMBL_2362802	Binding affinity to His-tagged human p47phox (151 to 386 residues) expressed in Escherichia coli BL21 (DE3) pLysS assessed as dissociation constant by ITC analysis
50020488	9	ChEMBL_2362809	Inhibition of NOX-2 dependent superoxide generation in PMA-differentiated human PLB-985 cells incubated for 1 hr by WST-1 based assay
50020488	10	ChEMBL_2362820	Inhibition of NOX2 (unknown origin) transfected in COS cells assessed as reduction in PMA-stimulated H2O2 production preincubated for 15 mins followed by PMA stimulation and measured for 1 hr by amplex red dye based fluorescence analysis
50020488	11	ChEMBL_2362821	Inhibition of NOX5 (unknown origin) transfected in HEK cells assessed as reduction in PMA/ionomycin-stimulated H2O2 production preincubated for 15 mins followed by PMA /ionomycin stimulation and measured for 1 hr by amplex red dye based fluorescence analysis
50020489	1	ChEMBL_2362823	Inhibition of recombinant human MMP8 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	2	ChEMBL_2362824	Inhibition of recombinant human MMP7 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50020489	3	ChEMBL_2362825	Inhibition of recombinant human MMP14 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	4	ChEMBL_2362826	Inhibition of recombinant human MMP1 using MOCAc-Lys-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	5	ChEMBL_2362827	Inhibition of recombinant human MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	6	ChEMBL_2362828	Inhibition of recombinant human MMP3 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	7	ChEMBL_2362829	Inhibition of recombinant human MMP9 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	8	ChEMBL_2362830	Inhibition of recombinant human MMP12 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	9	ChEMBL_2362831	Inhibition of recombinant human MMP13 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50020489	10	ChEMBL_2362849	Inhibition of mouse MMP7 using MOCAc-Pro-Leu-Gly-Leu-A2pr-(Dnp)-Ala-Arg-NH2 as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50020490	1	ChEMBL_2362881	Inhibition of human ALK using GF-IRtide as substrate by Kinase-Glo Plus luminescence kinase assay
50020491	1	ChEMBL_2362916	Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) using LRRKtide peptide as substrate assessed as inhibition of substrate phosphorylation preincubated with compound for 15 mins followed by substrate addition and measured after 90 mins in presence of ATP by TR-FRET assay
50020491	2	ChEMBL_2362962	Inhibition of BRSK1 (unknown origin)
50020491	3	ChEMBL_2362969	Inhibition of recombinant human full length MARK3 expressed in insect cells using CHKtide as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 15 mins in the presence of ATP by scintillation based radiometric LeadHunter assay
50020491	4	ChEMBL_2362977	Inhibition of human Nav1.5 expressed in HEK293 cells by QPatch voltage clamp assay
50020492	1	ChEMBL_2363136	Binding affinity to wild type human partial length TGFBR1 (D179 to M503 residues) expressed in bacterial expression system by KINOMEscan assay
50020493	1	ChEMBL_2363305	Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells assessed as inhibition of ATP/nigericin induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 1 hr by ELISA
50020493	2	ChEMBL_2363306	Inhibition of NLRP3 inflammasome activation in human whole blood assessed as inhibition of LPS/ATP induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 60 mins by ELISA
50020493	3	ChEMBL_2363307	Inhibition of NLRP3 inflammasome activation in LPS-induced human THP-1 cells expressing GFP-tagged ASC assessed as disruption of ASC speck formation pretreated for 2 hrs with LPS followed by compound addition for 30 mins and further incubated with zVAD-FMK and nigericin for 1 hr by Hoechst 33342 staining based analysis
50020495	1	ChEMBL_2363332	Inhibition of human PTP1B (1 to 400 residues) using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins
50020496	1	ChEMBL_2363336	Binding affinity to wild type Galectin-3 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020496	2	ChEMBL_2363337	Binding affinity to Galectin-3 R144S mutant (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020496	3	ChEMBL_2363338	Binding affinity to Galectin-3 R144K mutant (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020496	4	ChEMBL_2363339	Binding affinity to Galectin-3 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020496	5	ChEMBL_2363343	Binding affinity to Galectin-3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry analysis
50020497	1	ChEMBL_2363357	Antagonist activity at human CMKLR1
50020499	1	ChEMBL_2363373	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020499	2	ChEMBL_2363377	Inhibition of EGFR L858R mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020499	3	ChEMBL_2363378	Inhibition of wild-type EGFR (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020499	4	ChEMBL_2363379	Inhibition of EGFR L858R/T790M double mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020499	5	ChEMBL_2363380	Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020499	6	ChEMBL_2363381	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of 1 mM ATP by ADP-Glo reagent based assay
50020501	1	ChEMBL_2363429	Agonist activity at his6-tagged human REV-ERBalpha LBD (281 to 614 residues) expressed in Escherichia coli assessed as increase in SMRT corepressor peptide requirement by TR-FRET assay incubated for 2 hrs by TR-FRET assay
50020501	2	ChEMBL_2363435	Agonist activity at REV-ERBalpha LBD in HEK293 cells co-transfected with pG5-UAS pCMV-Gal4 incubated for 18 hrs by multimode plate reader analysis
50020502	1	ChEMBL_2363454	Binding affinity to human CRBN TBD using BODIPY-uracil as substrate by MST assay
50020502	2	ChEMBL_2363455	Binding affinity to human CRBN TBD assessed as inhibition constant using BODIPY-uracil as substrate by MST assay
50020502	3	ChEMBL_2363475	Protac activity at HDAC6 in human MM1.S cells assessed as HDAC6 protein degradation incubated for 24 hrs by immunoblotting analysis
50020503	1	ChEMBL_2363493	Inhibition of recombinant human Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21 Star (DE3) using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by trypsin based fluorescence analysis
50020503	2	ChEMBL_2363495	Inhibition of full length N-terminal GST-tagged human recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 cells using ZMAL as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50020503	3	ChEMBL_2363497	Inhibition of recombinant human Sirt1 (134 to 747 residues) expressed in Escherichia coli BL21 Star (DE3) using ZMAL as substrate at incubated for 4 hrs in presence of NAD+ by trypsin based fluorescence analysis
50020503	4	ChEMBL_2363499	Inhibition of recombinant human Sirt3 (118 to 395 residues) expressed in Escherichia coli BL21 Star (DE3) using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by trypsin based fluorescence analysis
50020503	5	ChEMBL_2363501	Inhibition of full length C-terminal 6His/FLAG-tagged human recombinant HDAC1 (1 to 482 residues) purified as tubulin complex expressed in Sf9 cells using ZMAL as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50020503	6	ChEMBL_2363502	Inhibition of full length C-terminal FLAG-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 cells using ZMAL as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50020503	7	ChEMBL_2363503	Inhibition of C-terminal His-tagged human recombinant HDAC3 (1 to 428 residues)/N-terminal GST tagged human NcoR2 (395 to 489 residues) expressed in Sf9 insect cells using ZMAL as fluorogenic substrate incubated for 90 mins by microplate reader analysis
50020503	8	ChEMBL_2363504	Inhibition of HDAC8 (unknown origin) using ZMTFAL as substrate incubated for 90 mins by fluorescence based assay
50020503	9	ChEMBL_2363512	Inhibition of recombinant human Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21 Star (DE3) mediated demyristoylation activity using ZMML as substrate incubated for 4 hrs in presence of NAD+ by trypsin based fluorescence analysis
50020503	10	ChEMBL_2363516	Inhibition of recombinant human Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21 Star (DE3) mediated demyristoylation activity using peptide based myristoylated substrate incubated for 5 mins in presence of NAD+ by fluorescence based analysis
50020503	11	ChEMBL_2363518	Inhibition of Sireal-TAMRA tracer binding to Sirt2 in HEK293 cells incubated for 2 hrs by NanoBRET assay
50020503	12	ChEMBL_2363535	Inhibition of human recombinant SIRT2 using fluorescent peptide substrate incubated for 1 hr in presence of NAD+ by fluorescence based assay
50020503	13	ChEMBL_2363536	Inhibition of human Sirt2 (25 to 389 residues) expressed in Escherichia coli BL21(DE3) Codon plus RIPL cells using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by fluorescence based analysis
50020503	14	ChEMBL_2363537	Inhibition of N-terminal 6His-tagged human Sirt2 (25 to 389 residues) expressed in Escherichia coli BL21(DE3) using ZMAL as substrate incubated for 4 hrs by high-throughput fluorescence-based histone deacetylase assay
50020503	15	ChEMBL_2363538	Inhibition of N-terminal 6His/SUMO fused human Sirt2 (38 to 356 residues) expressed in Escherichia coli BL21 using acetyl-H3K9 as substrate preincubated for 15 mins in presence of NAD followed by substrate addition and measured after 5 mins by reverse phase HPLC analysis
50020503	16	ChEMBL_2363539	Inhibition of SIRT2 (unknown origin)
50020503	17	ChEMBL_2363540	Inhibition of human recombinant HDAC6 using RHKKAc (379 to 382 residues) as substrate
50020503	18	ChEMBL_2363541	Inhibition of HDAC6 (unknown origin) using fluorescence tripeptide as substrate preincubated with compound for 10 mins followed by substrate addition and measured for 30 mins by microtiter plate reader analysis
50020504	1	ChEMBL_2363544	Inhibition of recombinant MBP-tagged full length human THP2 using L-Trp as substrate assessed as formation of 5-HTP by measuring fluorescent property
50020504	2	ChEMBL_2363562	Binding affinity to THP1 (unknown origin) assessed as equilibrium dissociation constant by surface plasmon resonance analysis
50020504	3	ChEMBL_2363563	Inhibition of THP1 in human serotonergic BON cells assessed as reduced the intracellular serotonin levels incubated for 72 hrs
50020504	4	ChEMBL_2363573	Inhibition of P-gp in human Caco-2 cells seeded in polyethylene membranes assessed as permeation in presence or absence of digoxin measured for 2 hrs by LC-MS/MS analysis based transporter assay
50020506	1	ChEMBL_2363658	Inhibition of GST-fused JAK1 (866 to 1154 residues)(unknown origin) using FITC-Ahr-KKSRGDYMTMQIG-NH2 peptide as substrate incubated for 30 mins in presence of ATP by caliper microfluidic mobility shift assay
50020506	2	ChEMBL_2363659	Inhibition of GST-fused JAK2 (808 to 1132 residues)(unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 30 mins in presence of ATP by caliper microfluidic mobility shift assay
50020506	3	ChEMBL_2363660	Inhibition of GST-fused JAK3 (811 to 1124 residues)(unknown origin) using Carboxyfluorescein-Ahx-GGEEEEYFELVKKKK peptide as substrate incubated for 30 mins in presence of ATP by caliper microfluidic mobility shift assay
50020506	4	ChEMBL_2363661	Inhibition of GST-fused TYK2 (888 to 1187 residues)(unknown origin) using FITC-Ahr-KKSRGDYMTMQIG-NH2 peptide as substrate incubated for 30 mins in presence of ATP by caliper microfluidic mobility shift assay
50020506	5	ChEMBL_2363662	Inhibition of JAK1/3-mediated STAT5 phosphorylation in human M07E cells preincubated for 30 mins followed by IL-15 stimulation measured after 15 mins by flow cytometry
50020506	6	ChEMBL_2363663	Inhibition of JAK1/2-mediated STAT1 phosphorylation in human M07E cells preincubated for 30 mins followed by IFN-alpha stimulation measured after 15 mins by flow cytometry
50020506	7	ChEMBL_2363664	Inhibition of JAK1/3-mediated STAT5 phosphorylation in human whole blood incubated for 30 mins followed by IL-2 addition measured after 15 mins by flow cytometry
50020506	8	ChEMBL_2363750	Inhibition of EIF2AK3 (unknown origin)
50020506	9	ChEMBL_2363751	Inhibition of MAP3K2 (unknown origin)
50020510	1	ChEMBL_2363823	Inhibition of recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as acid mediated amyloid-like fibril formation by measuring turbidity incubated for 1 week at 310K in presence of sodium acetate by absorbance based assay
50020510	2	ChEMBL_2363824	Binding affinity to recombinant N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as quenching of intrinsic tryptophan fluorescence by measuring apparent dissociation constant incubated for 60 mins by fluorescence based analysis
50020510	3	ChEMBL_2363828	Binding affinity to N-terminal hexa-histidine tagged TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as dissociation constant at 60 uM by ITC assay
50020511	1	ChEMBL_2363832	Binding affinity to recombinant RIPK1 (unknown origin) assessed as dissociation constant incubated for 1 hr by KINOMEscanTM assay
50020511	2	ChEMBL_2363833	Binding affinity to recombinant RIPK3 (unknown origin) assessed as dissociation constant incubated for 1 hr by KINOMEscanTM assay
50020512	1	ChEMBL_2363896	Inhibition of His-SUMO-tagged wild-type recombinant LSD1 (172 to 833 residues)(unknown origin) expressed in Escherichia coli BL21 (DE3) using methylated peptide substrate incubated for 10 minsby peroxidase-coupled assay
50020512	2	ChEMBL_2363898	Binding affinity to His-SUMO-tagged wild-type recombinant LSD1 (172 to 833 residues)(unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant incubated for 10 mins by MST assay
50020513	1	ChEMBL_2363985	Inhibition of Mycobacterium tuberculosis N-terminal His-6 tagged Pks13 thioesterase domain expressed in Escherichia coli BL21 (DE3) using 4-methylumbelliferyl heptanoate as substrate incubated for 80 to 120 mins by fluorescence based microplate reader assay
50020514	1	ChEMBL_2364008	Inhibition of recombinant human ENPP1 using cGAMP as substrate assessed as inhibition of cGAMP hydrolysis preincubated for 5 to 10 mins followed by substrate addition and measured after 90 mins by AMP-Glo reagent based luminescence plate reader analysis
50020515	1	ChEMBL_2364083	Inhibition of mTORC2 in human PC-3 cells assessed as AKT phosphorylation at S473 residue in incubated for 1 hr by Alphascreen assay
50020515	2	ChEMBL_2364107	Inhibition of TORC2 in human PC-3 cells assessed as reduction in Akt phosphorylation at Ser473 residue
50020515	3	ChEMBL_2364108	Inhibition of TORC1 in human PC-3 cells assessed as reduction in S6K phosphorylation at T389 residue
50020515	4	ChEMBL_2364110	Inhibition of recombinant human GST-tagged mTOR (1360 to 2549 residues) expressed in insect cells using GFP-4E-BP1 as substrate incubated for 30 min at 22 degC by TR-FRET assay
50020516	1	ChEMBL_2364121	Inhibition of EBP derived from HEK293T cells using zymosterol-d5 as substrate preincubated for 30 mins followed by substrate addition measured after 4 hrs by LC-APCI MRM MS analysis
50020517	1	ChEMBL_2364122	Displacement of BODIPY-lenalidomide from human N-terminal NanoLuc-fused CRBN expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50020518	1	ChEMBL_2364131	Inhibition of GST-tagged SOS1 (unknown origin) /His6-Tev tagged K-Ras G12C mutant (unknown origin) (1 to 169 residues) protein-protein interaction incubated for 30 mins by alphascreen assay
50020518	2	ChEMBL_2364132	Inhibition of GST-tagged SOS1 (unknown origin) /His6-Tev tagged K-Ras G12D mutant (unknown origin) (1 to 169 residues) protein-protein interaction incubated for 30 mins by alphascreen assay
50020519	1	ChEMBL_2364169	Inhibition of human plasma kallikrein using Acetyl-K- P-R-AFC substrate by fluorescence based assay
50020520	1	ChEMBL_2364203	Displacement of [3H]-LSD form 5-HT2A (unknown origin) expressed in Flp-In-T-Rex-293 membrane by Microbeta scintillation counting analysis
50020521	1	ChEMBL_2364205	Inhibition of human FTO assessed as reduction in enzyme-mediated demethylation of m6A-ssDNA incubated for 2 hrs by PAGE analysis
50020522	1	ChEMBL_2364219	Inhibition of Plasmodium falciparum Plasmepsin X using Dabcyl-GSMLEVENDAEG-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured every 2 mins for 30 mins by FRET assay
50020523	1	ChEMBL_2364237	Inhibition of human recombinant His6-tagged TG2 expressed in insect cells assessed as reduction in incorporation of dansylcadaverine into N,N-dimethylcasein measured for 30 mins by fluorescence assay
50020524	1	ChEMBL_2364250	Binding affinity to biotinylated N-terminal 6His-tagged/TEV cleavage site-fused human NIK by SPR analysis
50020524	2	ChEMBL_2364251	Binding affinity to biotinylated N-terminal 6His-tagged/TEV cleavage site-fused human NIK in presence of AMP-PNP by SPR analysis
50020526	1	ChEMBL_2364267	Inhibition of human wild type BCR-ABL1 by radiometric assay
50020526	2	ChEMBL_2364268	Inhibition of human BCR-ABL1 H396P mutant by radiometric assay
50020526	3	ChEMBL_2364269	Inhibition of human BCR-ABL1 M351T mutant by radiometric assay
50020526	4	ChEMBL_2364270	Inhibition of human BCR-ABL1 Q252H mutant by radiometric assay
50020526	5	ChEMBL_2364271	Inhibition of human BCR-ABL1 T315I mutant by radiometric assay
50020526	6	ChEMBL_2364272	Inhibition of human BCR-ABL1 Y253F mutant by radiometric assay
50020526	7	ChEMBL_2364273	Inhibition of human wild type c-Src by radiometric assay
50020527	1	ChEMBL_2364313	Inhibition of N-terminal GST-tagged full-length human HPK1 expressed in baculovirus infected Sf21 cells using MBP as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins in presence of ATP by ADP-glo assay
50020528	1	ChEMBL_2364315	Inhibition of androgen receptor in human VCaP cells expressing GRE-2-TATA-Luc co-expressing firefly luciferase incubated for 24 hrs in presence of DHT by luciferase reporter gene assay
50020530	1	ChEMBL_2364472	Displacement of [3H]-SCH58261 from recombinant human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 15 to 30 mins by Topcount scintillation counter assay
50020530	2	ChEMBL_2364473	Binding affinity to recombinant human adenosine A2B receptor expressed in HEK293 cell membrane incubated for 15 to 30 mins by Topcount scintillation counter assay
50020533	1	ChEMBL_2364622	Binding affinity to BRD4 BD1 (unknown origin) by ITC analysis
50020533	2	ChEMBL_2364624	Competitive binding affinity to 6His-tagged BRD4 BD1 (unknown origin) transfected in Escherichia coli BL21(DE3)-R3-pRARE2 cells incubated for 30 mins in presence of AlexaFluor647 dye conjugated tert-butyl (S)-2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate by TR-FRET assay
50020536	1	ChEMBL_2364628	Inhibition of human CDK9/Cyclin T1 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	2	ChEMBL_2364629	Inhibition of human CDK1/Cyclin A preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	3	ChEMBL_2364630	Inhibition of human CDK2/Cyclin A preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	4	ChEMBL_2364631	Inhibition of human CDK3/Cyclin E preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	5	ChEMBL_2364632	Inhibition of human CDK4/Cyclin D1 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	6	ChEMBL_2364633	Inhibition of human CDK5/P25 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	7	ChEMBL_2364634	Inhibition of human CDK6/Cyclin D1 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	8	ChEMBL_2364635	Inhibition of human CDK7/Cyclin H preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	9	ChEMBL_2364636	Inhibition of human CDK8/Cyclin C preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs
50020536	10	ChEMBL_2364654	Inhibition of human CDK3/Cyclin E preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 100 uM ATP
50020536	11	ChEMBL_2364655	Inhibition of human CDK4/Cyclin D1 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 100 uM ATP
50020536	12	ChEMBL_2364656	Inhibition of human CDK6/Cyclin D1 preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 100 uM ATP
50020536	13	ChEMBL_2364657	Inhibition of human CDK7/Cyclin H preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 50 uM ATP
50020536	14	ChEMBL_2364658	Inhibition of human CDK12/Cyclin K preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 30 uM ATP
50020536	15	ChEMBL_2364659	Inhibition of human CDK13/Cyclin K preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 5 uM ATP
50020536	16	ChEMBL_2364660	Inhibition of human CDK14/Cyclin Y preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 15 uM ATP
50020536	17	ChEMBL_2364661	Inhibition of human CDK17/Cyclin Y preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 20 uM ATP
50020536	18	ChEMBL_2364662	Inhibition of human CDK18/Cyclin Y preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 20 uM ATP
50020536	19	ChEMBL_2364663	Inhibition of human CDK19/Cyclin C preincubated for 20 mins followed by 32P-ATP addition and measured after 2 hrs in presence of 20 uM ATP
50020538	1	ChEMBL_2364796	Inhibition of recombinant full-length human HDAC1 using FITC-H3K27(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	2	ChEMBL_2364797	Inhibition of recombinant full-length human HDAC2 using FITC-H3K27(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	3	ChEMBL_2364798	Inhibition of recombinant full-length human HDAC3 using FAM-RHKK(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	4	ChEMBL_2364799	Inhibition of recombinant full-length human HDAC4 using FAM-RHKK (trifluor-Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	5	ChEMBL_2364800	Inhibition of recombinant full-length human HDAC5 using FAM-RHKK (trifluor-Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	6	ChEMBL_2364801	Inhibition of recombinant full-length human HDAC6 using FAM-RHKK(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	7	ChEMBL_2364802	Inhibition of recombinant full-length human HDAC7 using FAM-RHKK (trifluor-Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	8	ChEMBL_2364803	Inhibition of recombinant full-length human HDAC8 using FAM-RHKK(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	9	ChEMBL_2364804	Inhibition of recombinant full-length human HDAC9 using FAM-RHKK (trifluor-Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	10	ChEMBL_2364805	Inhibition of recombinant full-length human HDAC10 using FITC-H3K27(Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020538	11	ChEMBL_2364806	Inhibition of recombinant full-length human HDAC11 using FAM-RHKK (trifluor-Ac)-NH2 as substrate by electrophoretic mobility shift assay
50020539	1	ChEMBL_2364911	Activation of recombinant human ACE2 using McaAPK(Dnp)-OH as substrate preincubated for 15 mins followed by substrate addition spectra max Gemini M5 fluorescence plate reader analysis
50020539	2	ChEMBL_2364914	Activation of CPT-1 in digitonin-permeabilized human MCF7 cells preincubated for 2 hrs followed by digitonin addition for 6 mins by liquid scintillation method
50020539	3	ChEMBL_2364920	Activation of recombinant human CLpP using Ac-WLA-AMC as substrate preincubated for 60 mins followed by substrate addition by fluorescence based assay
50020539	4	ChEMBL_2364921	Activation of recombinant human CLpP using casein-FITC as substrate preincubated for 30 mins followed by substrate addition by spectra max i3x fluorescence based assay
50020539	5	ChEMBL_2364929	Binding affinity to CLpP (unknown origin)
50020539	6	ChEMBL_2364930	Activation of CLpP (unknown origin)
50020539	7	ChEMBL_2364931	Activation of G6PD (unknown origin) expressed in Escherichia coli C43(DE3) cells using G6P as substrate in presence of NADP+ by resazurin dye-based assay
50020539	8	ChEMBL_2364932	Activation of G6PD dimerization in lymphocytes isolated from G6PD-deficient patient carrying canton variant expressed in Escherichia coli C43(DE3) cells using G6P as substrate in presence of NADP+ by resazurin dye based fluorescence assay
50020539	9	ChEMBL_2364934	Activation of HDAC1 (unknown origin)
50020539	10	ChEMBL_2364935	Activation of PDE4D5 (unknown origin)
50020539	11	ChEMBL_2364937	Positive allosteric modulation of recombinant human IDOL transfected in mouse P1.HTR cells assessed as increase in Kyn production incubated for 24 hrs
50020539	12	ChEMBL_2364939	Positive allosteric modulation of recombinant mouse IDOL transfected in mouse P1.HTR cells assessed as increase in Kyn production incubated for 24 hrs
50020539	13	ChEMBL_2364943	Activation of 6XHis-FP-rhodamine-tagged full-length human LYPLAL1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 mins followed by FP-rhodamine probe addition for 30 mins
50020539	14	ChEMBL_2364944	Activation of 6XHis-FP-rhodamine-tagged full-length mouse LYPLAL1 expressed in Escherichia coli BL21(DE3) cells preincubated for 60 mins followed by FP-rhodamine probe addition for 30 mins
50020539	15	ChEMBL_2364945	Activation of N-terminal His-tagged human NAMPT-mediated NMN production expressed in Escherichia coli BL21(DE3) cells
50020539	16	ChEMBL_2364946	Activation of NAMPT (unknown origin)
50020539	17	ChEMBL_2364947	Activation of OGG1 (unknown origin) by fluorescence-based assay
50020540	1	ChEMBL_2365178	Inverse agonist activity at biotinylated APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of europium-labeled SRC1 coactivator peptide recruitment incubated for 1 hr by dual FRET assay
50020540	2	ChEMBL_2365180	Agonist activity at biotinylated APC-labeled RORgammat LBD (unknown origin) assessed as increase in recruitment of europium-labeled SRC1 coactivator peptide incubated for 1 hr by dual FRET assay
50020540	3	ChEMBL_2365200	Agonist activity at human Gal4-fused RORgamma expressed in HEK293T cells assessed as luciferase activity incubated for 16 to 20 hrs by Luciferase reporter gene assay
50020540	4	ChEMBL_2365201	Agonist activity at human Gal4-fused RORalpha expressed in HEK293T cells assessed as luciferase activity incubated for 16 to 20 hrs by Luciferase reporter gene assay
50020540	5	ChEMBL_2365205	Agonist activity at human Gal4-fused RORbeta expressed in HEK293T cells assessed as luciferase activity incubated for 16 to 20 hrs by Luciferase reporter gene assay
50020541	1	ChEMBL_2365251	Inhibition of N-terminal His6 tagged human GGPPS expressed in Escherichia coli BL21(DE3) cells in presence of FPP and [14C]IPP by scintillation counting analysis
50020541	2	ChEMBL_2365252	Inhibition of N-terminally His6-tagged recombinant human FPPS expressed in Escherichia coli BL21(DE3) cells using of FPP and [14C]IPP as substrate preincubated for 10 mins followed by substrate addition by scintillation counting analysis
50020542	1	ChEMBL_2365380	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins by FP assay
50020542	2	ChEMBL_2365381	Inhibition of FTO (32 to 505 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by FP assay
50020542	3	ChEMBL_2365384	Binding affinity to biotinylated ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as equilibrium dissociation constant by BLI assay
50020542	4	ChEMBL_2365387	Binding affinity to NT-647-NHS fluorescent dye-labeled wild-type ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA as substrate assessed as dissociation constant incubated for 15 mins by MST assay
50020542	5	ChEMBL_2365390	Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 R130A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA as substrate assessed as dissociation constant incubated for 15 mins by MST assay
50020542	6	ChEMBL_2365391	Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 K132A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA as substrate assessed as dissociation constant incubated for 15 mins by MST assay
50020542	7	ChEMBL_2365392	Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 Y139A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA as substrate assessed as dissociation constant incubated for 15 mins by MST assay
50020542	8	ChEMBL_2365393	Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 Y139A/R277A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA as substrate assessed as dissociation constant incubated for 15 mins by MST assay
50020542	9	ChEMBL_2365395	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins in presence of 200 uM of 2-OG by FP based competitive binding assay
50020542	10	ChEMBL_2365396	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins in presence of 20 uM of 2-OG by FP based competitive binding assay
50020542	11	ChEMBL_2365397	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins in presence of 2 uM of 2-OG by FP based competitive binding assay
50020542	12	ChEMBL_2365398	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins in presence of 0.2 uM of 2-OG by FP based competitive binding assay
50020544	1	ChEMBL_2365483	Positive allosteric modulator activity at human alpha7 nAChR expressed in Flp-In HEK293 cells assessed as increase in calcium influx incubated for 10 mins by fluorescence based analysis
50020545	1	ChEMBL_2365504	Inhibition of N-terminal GST-tagged human recombinant HPK1 (1 to 346 residues) expressed in baculovirus-infected Sf9 cells using myelin basic protein as substrate by ADP-Glo kinase assay
50020545	2	ChEMBL_2365518	Inhibition of N-terminal GST-tagged human full length recombinant GCK expressed in baculovirus-infected Sf9 cells using myelin basic protein as substrate by ADP-Glo kinase assay
50020545	3	ChEMBL_2365519	Inhibition of N-terminal GST-tagged human recombinant GLK (1 to 380 residues) expressed in baculovirus-infected Sf9 cells using PKA substrate by ADP-Glo kinase assay
50020545	4	ChEMBL_2365520	Inhibition of N-terminal GST-tagged human recombinant HGK (1 to 328 residues) expressed in bacuovirus-infected Sf9 cells using myelin basic protein as substrate by ADP-Glo kinase assay
50020545	5	ChEMBL_2365521	Inhibition of N-terminal GST-tagged human full length recombinant KHS expressed in baculovirus-infected Sf9 cells using myelin basic protein as substrate by ADP-Glo kinase assay
50020545	6	ChEMBL_2365551	Inhibition of HPK1 (unknown origin)
50020545	7	ChEMBL_2365552	Inhibition of HPK1 (unknown origin) assessed as inhibition of SLP-76 phosphorylation
50020547	1	ChEMBL_2365556	Modulator activity at wild type RyR2 (unknown origin) expressed in HEK293T co-expressed with R-CEPIA1er assessed as decrease in RyR2-mediated calcium leak in presence of calcium chloride by time-lapse fluorescence analysis
50020547	2	ChEMBL_2365557	Activation of SERCA2a in mouse HL-1 cells assessed as increase in caffeine-induced calcium release incubated for 2 hrs by FLIPR Calcium 6 dye based caffeine assay
50020547	3	ChEMBL_2365558	Activation of SERCA2a in human HEK293T cells endoplasmic reticulum assessed as increase in calcium release measured for 10 mins in presence of ATP by NADH fluorescence-coupled ATPase assay
50020547	4	ChEMBL_2365559	Activation of SERCA2a in C57BL/6N mouse sarcoplasmic reticulum assessed as increase in calcium release measured for 10 mins in presence of ATP by NADH fluorescence-coupled ATPase assay
50020548	1	ChEMBL_2365571	Induction of ePL tagged Aiolos degradation in human DF15 cells incubated for 4 hrs by luminescence based assay
50020548	2	ChEMBL_2365573	Induction of ePL tagged GSPT1 degradation in human DF15 cells incubated for 20 hrs by luminescence based assay
50020550	1	ChEMBL_2365583	Inhibition of SARS CoV-2 MPro using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins by FRET assay
50020551	1	ChEMBL_2365611	Inhibition of human KHK-C preincubated for 15 mins followed by substrate addition and measured after 20 mins in presence of ATP by Rapidfire MS analysis
50020551	2	ChEMBL_2365612	Inhibition of human KHK-A preincubated for 15 mins followed by substrate addition and measured after 20 mins in presence of ATP by Rapidfire MS analysis
50020551	3	ChEMBL_2365613	Inhibition of KHK in human HepG2 cells incubated for 3 hrs by Rapidfire MS analysis
50020552	1	ChEMBL_2365665	Binding affinity to C-terminal His6-tagged truncated WDR91 (unknown origin) (P392 to A747 residues) expressed in baculovirus-infected Sf9 cells assessed as dissociation constant incubated for 72 to 96 hrs by SPR analysis
50020554	1	ChEMBL_2365670	Inhibition of CaMKK2 (161 to 449 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) star cells incubated for 20 mins in presence of kinase tracer 236 by TR-FRET
50020554	2	ChEMBL_2365671	Inhibition of CaMKK1 (unknown origin) incubated for 20 mins in presence of kinase tracer 236 by TR-FRET
50020554	3	ChEMBL_2365672	Inhibition of CaMKK2 in LKB1 null human A-427 cells assessed as inhibition of AMPK phosphorylation preincubated for 4 hrs followed by calcium ionophore stimulation and measured after 30 mins by HTRF method
50020554	4	ChEMBL_2365682	Induction of ePL tagged degradation of CaMKK2 (unknown origin) expressed in HEK292T cells incubated for 24 hrs by luminescence based analysis
50020554	5	ChEMBL_2365683	Binding affinity to N-terminal 6 his tagged VHL (54 to 213 residues)/truncated ElonginC (17 to 122 residues) /full length ElonginB (unknown origin) expressed in Escherichia coli assessed as dissociation constant measured upto 300 secs by SPR analysis
50020554	6	ChEMBL_2365685	Induction of degradation of CAMKK2 in human THP-1 cells incubated for 24 hrs by Western blot analysis
50020554	7	ChEMBL_2365687	Induction of degradation of CAMKK2 in human VCaP cells incubated for 24 hrs by Western blot analysis
50020555	1	ChEMBL_2365808	Inhibition of LTA4H (unknown origin)
50020555	2	ChEMBL_2365809	Inhibition of LTA4H in human blood assessed as LTB4 production
50020555	3	ChEMBL_2365810	Inhibition of LTA4H (unknown origin) using Arg-AMC as substrate preincubated with compound for 15 mins followed by substrate addition and measured after every 10 mins for 300 mins by fluorescence based assay
50020555	4	ChEMBL_2365811	Inhibition of LTA4H in human whole blood assessed as ionophore-stimulated LTB4 release preincubated for 15 mins by competitive immunoassay
50020556	1	ChEMBL_2366042	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane by radioligand binding assay
50020556	2	ChEMBL_2366045	Displacement of [3H]-pentazocine from sigma1 receptor in guinea pig brain membrane in presence of sigma1 receptor agonist, phenytoin by radioligand binding assay
50020556	3	ChEMBL_2366046	Displacement of [3H]DAMGO from mu-opioid receptor (unknown origin) expressed in CHO cell membrane measured after 90 mins by beta-scintillation counting analysis
50020556	4	ChEMBL_2366133	Antagonist activity at sigma1 receptor (unknown origin)
50020560	1	ChEMBL_2366148	Binding affinity to full-length N-terminal His-tagged WDR5 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by isothermal titration calorimetry
50020563	1	ChEMBL_2366190	Inhibition of NLRP3 inflammasome in mouse JJ74.A1 cells assessed as inhibition of LPS/ATP-induced IL-1 beta release stimulated with LPS for 4.5 hs followed by incubation with compound for 30 mins and ATP addition for 30 mins by ELISA
50020563	2	ChEMBL_2366203	Binding affinity to human NLRP3 assessed as equilibrium dissociation constant by surface plasmon resonance assay
50020565	1	ChEMBL_2366313	Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50020565	2	ChEMBL_2366314	Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50020565	3	ChEMBL_2366315	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50020565	4	ChEMBL_2366316	Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr by TR-FRET Lanthascreen assay
50020565	5	ChEMBL_2366440	Inhibition of STAT1 phosphorylation in human SK-MES-1 cells pretreated for 30 mins followed by IL-6 stimulation by Western blot analysis
50020565	6	ChEMBL_2366441	Inhibition of STAT3 phosphorylation in human SK-MES-1 cells pretreated for 30 mins followed by IL-6 stimulation by Western blot analysis
50020565	7	ChEMBL_2366442	Inhibition of STAT3 phosphorylation in human SK-MES-1 cells pretreated for 30 mins followed by GM-CSF stimulation by Western blot analysis
50020565	8	ChEMBL_2366443	Inhibition of STAT5 phosphorylation in human SK-MES-1 cells pretreated for 30 mins followed by GM-CSF stimulation by Western blot analysis
50020566	1	ChEMBL_2366477	Inhibition of recombinant human DYRK1A preincubated with compound for 10 mins followed by ATP addition and measured after 30 mins by Western blot analysis
50020566	2	ChEMBL_2366478	Inhibition of DYRK2 (unknown origin)
50020566	3	ChEMBL_2366479	Inhibition of GST-tagged recombinant DYRK1A (unknown origin) expressed in Escherichia coli using DYRKtide as substrate incubated for 5 mins in presence of ATP by liquid scintillation counting analysis
50020566	4	ChEMBL_2366480	Inhibition of GST-tagged recombinant DYRK2 (unknown origin) expressed in Escherichia coli using DYRKtide as substrate incubated for 5 mins in presence of ATP by liquid scintillation counting analysis
50020566	5	ChEMBL_2366481	Inhibition of recombinant DYRK1A (unknown origin) using DYRKtide as substrate incubated for 2 hrs in presence of ATP by ADP-Glo kinase assay
50020566	6	ChEMBL_2366482	Inhibition of His-tagged full-length human DYRK2 (127 to 485 residues) expressed in Escherichia coli incubated for 10 min in presence of ATP by liquid scintillation counter analysis
50020566	7	ChEMBL_2366483	Inhibition of N-terminal 6his tagged/ TEV fused full length human DYRK2 expressed in Escherichia coli BL21 (DE3) cells using KKISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP
50020566	8	ChEMBL_2366484	Inhibition of DYRK2 (unknown origin) incubated for 120 mins in presence of 33P-ATP
50020566	9	ChEMBL_2366485	Binding affinity to human DYRK2 assessed as dissociation constant by SPR analysis
50020567	1	ChEMBL_2366786	Binding affinity to His6-tagged KIND2 (unknown origin) expressed in Escherichia coli BL21(DE3) by MST assay
50020567	2	ChEMBL_2366788	Binding affinity to His6-tagged KIND2 (unknown origin) expressed in Escherichia coli BL21(DE3) by NMR analysis
50020567	3	ChEMBL_2366790	Inhibition of His6-tagged KIND1 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence polarization method
50020567	4	ChEMBL_2366792	Inhibition of His6-tagged KIND2 (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence polarization method
50020568	1	ChEMBL_2366837	Inhibition of MAO-B (unknown origin)
50020569	1	ChEMBL_2366873	Inhibition of wild type N-terminal 6 his tagged human PTP1B (1 to 400 residues) expressed in Escherichia coli (Rosetta, DE3) using p-NPP as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based analysis
50020570	1	ChEMBL_2366897	Inhibition of human CLK1 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	2	ChEMBL_2366898	Inhibition of human CLK4 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	3	ChEMBL_2366899	Inhibition of human DYRK1A assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	4	ChEMBL_2366900	Inhibition of human DYRK1B assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	5	ChEMBL_2366901	Inhibition of human recombinant CDK5 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	6	ChEMBL_2366902	Inhibition of human recombinant CK1 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	7	ChEMBL_2366903	Inhibition of human recombinant CLK2 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	8	ChEMBL_2366904	Inhibition of human recombinant CLK3 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	9	ChEMBL_2366905	Inhibition of human recombinant DYRK2 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	10	ChEMBL_2366906	Inhibition of human recombinant DYRK3 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	11	ChEMBL_2366907	Inhibition of human recombinant DYRK4 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	12	ChEMBL_2366908	Inhibition of human recombinant GSK3 assessed as incorporation of 33Pi using [gamma-33P]-ATP measured after 60 mins by microplate scintillation counting based radiometric analysis
50020570	13	ChEMBL_2366952	Inhibition of human AAK1 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	14	ChEMBL_2366954	Inhibition of human CDKL1 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	15	ChEMBL_2366955	Inhibition of human CDKL2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	16	ChEMBL_2366956	Inhibition of human CDKL3 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	17	ChEMBL_2366957	Inhibition of human CDKL4 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	18	ChEMBL_2366958	Inhibition of human CDKL5 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	19	ChEMBL_2366959	Inhibition of human CLK1 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	20	ChEMBL_2366960	Inhibition of human CLK2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	21	ChEMBL_2366961	Inhibition of human CLK3 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	22	ChEMBL_2366962	Inhibition of human CLK4 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	23	ChEMBL_2366963	Inhibition of human DMPK assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	24	ChEMBL_2366964	Inhibition of human DYRK1A assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	25	ChEMBL_2366965	Inhibition of human DYRK1B assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	26	ChEMBL_2366966	Inhibition of human DYRK2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	27	ChEMBL_2366967	Inhibition of human DYRK3 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	28	ChEMBL_2366968	Inhibition of human HASPIN assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	29	ChEMBL_2366969	Inhibition of human HIPK1 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	30	ChEMBL_2366970	Inhibition of human HIPK2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	31	ChEMBL_2366971	Inhibition of human HIPK3 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	32	ChEMBL_2366972	Inhibition of human HIPK4 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	33	ChEMBL_2366973	Inhibition of human PRKG2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	34	ChEMBL_2366974	Inhibition of human TAF1L assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	35	ChEMBL_2366975	Inhibition of human TAO1 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	36	ChEMBL_2366976	Inhibition of human TAO2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	37	ChEMBL_2366977	Inhibition of human TAO3 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	38	ChEMBL_2366978	Inhibition of human TRB2 assessed as remaining activity by eurofins-cerep kinase profiler analysis
50020570	39	ChEMBL_2366997	Inhibition of human CLK1 using myelin basic protein as substrate measured after 70 mins by ADP-GloTM luminescence proximity assay
50020570	40	ChEMBL_2366998	Inhibition of human DYRK1A using DYRKtide peptide as substrate measured after 70 mins by ADP-GloTM luminescence proximity assay
50020570	41	ChEMBL_2366999	Inhibition of human DYRK1B using DYRKtide peptide as substrate measured after 70 mins by ADP-GloTM luminescence proximity assay
50020570	42	ChEMBL_2367003	Binding affinity to human DYRK1A assessed as dissociation constant
50020570	43	ChEMBL_2367004	Binding affinity to human CLK1 assessed as dissociation constant
50020570	44	ChEMBL_2367005	Binding affinity to human GSK3beta assessed as dissociation constant
50020571	1	ChEMBL_2367023	Irreversible inhibition of PSMA (unknown origin) using PAB-Glu-gamma-Glu as substrate incubated for 10 mins by HPLC analysis
50020572	1	ChEMBL_2367134	Inhibition of HDAC1 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound followed by substrate addition by electrophoretic mobility shift assay
50020572	2	ChEMBL_2367135	Inhibition of HDAC1 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	3	ChEMBL_2367136	Inhibition of HDAC2 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound followed by substrate addition by electrophoretic mobility shift assay
50020572	4	ChEMBL_2367137	Inhibition of HDAC2 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 2 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	5	ChEMBL_2367138	Inhibition of HDAC2 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	6	ChEMBL_2367139	Inhibition of full length recombinant human HDAC3 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound followed by substrate addition and measured after 3 hrs by electrophoretic mobility shift assay
50020572	7	ChEMBL_2367140	Inhibition of full length recombinant human HDAC3 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound for 2 hrs followed by substrate addition and measured after 3 hrs by electrophoretic mobility shift assay
50020572	8	ChEMBL_2367141	Inhibition of full length recombinant human HDAC3 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition and measured after 3 hrs by electrophoretic mobility shift assay
50020572	9	ChEMBL_2367142	Inhibition of full length recombinant human HDAC8 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound followed by substrate addition and measured after 3 hrs by electrophoretic mobility shift assay
50020572	10	ChEMBL_2367143	Inhibition of HDAC4 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	11	ChEMBL_2367144	Inhibition of HDAC5 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	12	ChEMBL_2367145	Inhibition of full length recombinant human HDAC6 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition and measured after 5 hrs by electrophoretic mobility shift assay
50020572	13	ChEMBL_2367146	Inhibition of HDAC7 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	14	ChEMBL_2367147	Inhibition of HDAC9 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	15	ChEMBL_2367148	Inhibition of HDAC10 (unknown origin) using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition by electrophoretic mobility shift assay
50020572	16	ChEMBL_2367149	Inhibition of full length recombinant human HDAC11 expressed in Sf9 cells using 6-carboxyfluorescein peptide as substrate preincubated with compound for 6 hrs followed by substrate addition and measured after 17 hrs by electrophoretic mobility shift assay
50020573	1	ChEMBL_2367186	Inhibition of MDM4 (unknown origin) by TR-FRET assay
50020573	2	ChEMBL_2367187	Inhibition of MDM2 (unknown origin) by TR-FRET assay
50020573	3	ChEMBL_2367190	Inhibition of MDM2 (1 to 118 residues)/p53 (unknown origin) interaction expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant incubated for 1.5 hrs by competitive fluorescence polarization assay
50020573	4	ChEMBL_2367191	Inhibition of MDM4 (14 to 111 residues)/p53 (unknown origin) interaction expressed in Escherichia coli BL21(DE3) cells assessed as inhibition constant incubated for 1.5 hrs by competitive fluorescence polarization assay
50020575	1	ChEMBL_2367295	Binding affinity to RXR alpha LBD (unknown origin) assessed as dissociation constant at 25 degree C by isothermal titration calorimetry assay
50020575	2	ChEMBL_2367391	Agonist activity at full length human RXR alpha expressed in HEK293T cells measured after 16 hrs by Dual-glo luciferase assay
50020575	3	ChEMBL_2367392	Agonist activity at full length human RXR beta expressed in HEK293T cells measured after 16 hrs by Dual-glo luciferase assay
50020575	4	ChEMBL_2367393	Agonist activity at full length human RXR gamma expressed in HEK293T cells measured after 16 hrs by Dual-glo luciferase assay
50020576	1	ChEMBL_2367595	Binding affinity to ILF3 (unknown origin) assessed as dissociation constant at upto 1 uM by SPR method
50020577	1	ChEMBL_2367636	Activation of AMPK in mouse C2C12 cells incubated for 2 hrs
50020579	1	ChEMBL_2367680	Protac activity at CRBN/CK1alpha (unknown origin) transfected in HEK293T cells incubated for 24 hrs by flow cytometry analysis
50020581	1	ChEMBL_2367723	Binding affinity to WDR5 (unknown origin)
50020581	2	ChEMBL_2367726	Induction of WDR5 degradation in human MV4-11 cells incubated for 18 hrs
50020581	3	ChEMBL_2367728	Inhibition of 6His-SUMO tagged human WDR5 (22 to 334 residues) expressed in Escherichia coli BL21-Gold (DE3) cells incubated for 1 hr by TR-FRET assay
50020582	1	ChEMBL_2367747	Inhibition of PARP-2 (unknown origin)
50020582	2	ChEMBL_2367748	Inhibition of human recombinant PARP-1
50020584	1	ChEMBL_2367752	Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) using Z-Gly-Gly-Leu-AMC as substrate measured for 60 mins in presence of Bz-LL by fluorescence based assay
50020584	2	ChEMBL_2367754	Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) using FITC-casein as substrate measured for 1 hr in presence of Bz-LL/ATP by fluorescence based assay
50020584	3	ChEMBL_2367757	Binding affinity to N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) assessed as increase in thermal stability measured at 25 to 110 degreeC in presence of Bz-LL by DSF assay
50020584	4	ChEMBL_2367782	Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) using GFP-ssrA as substrate incubated for 3 hrs in presence of Bz-LL/ATP by Coomassie blue staining based assay
50020584	5	ChEMBL_2367795	Inhibition of Mtb ClpP1 I71F mutant expressed in Escherichia coli BL21(DE3)
50020584	6	ChEMBL_2367797	Inhibition of Mtb ClpP1 S72T mutant expressed in Escherichia coli BL21(DE3)
50020584	7	ChEMBL_2367803	Inhibition of Mtb ClpP1 M95L mutant expressed in Escherichia coli BL21(DE3)
50020584	8	ChEMBL_2367804	Inhibition of Mtb ClpP1 M95W mutant expressed in Escherichia coli BL21(DE3)
50020584	9	ChEMBL_2367806	Inhibition of Mtb ClpP1 H117N mutant expressed in Escherichia coli BL21(DE3)
50020584	10	ChEMBL_2367807	Inhibition of Mtb ClpP1 H117A mutant expressed in Escherichia coli BL21(DE3)
50020584	11	ChEMBL_2367810	Inhibition of Mtb ClpP1 R119S mutant expressed in Escherichia coli BL21(DE3)
50020584	12	ChEMBL_2367811	Inhibition of Mtb ClpP1 Q142H mutant expressed in Escherichia coli BL21(DE3)
50020584	13	ChEMBL_2367812	Inhibition of Mtb ClpP1 Q142R mutant expressed in Escherichia coli BL21(DE3)
50020584	14	ChEMBL_2367815	Inhibition of Mtb ClpP1 I146T mutant expressed in Escherichia coli BL21(DE3)
50020584	15	ChEMBL_2367816	Inhibition of Mtb ClpP1 I146L mutant expressed in Escherichia coli BL21(DE3)
50020584	16	ChEMBL_2367818	Inhibition of Mtb ClpP1 E149R mutant expressed in Escherichia coli BL21(DE3)
50020584	17	ChEMBL_2367819	Inhibition of Mtb ClpP1 E149K mutant expressed in Escherichia coli BL21(DE3)
50020584	18	ChEMBL_2367820	Inhibition of Mtb ClpP1 E149Q mutant expressed in Escherichia coli BL21(DE3)
50020584	19	ChEMBL_2367821	Inhibition of Mtb ClpP1 E149T mutant expressed in Escherichia coli BL21(DE3)
50020584	20	ChEMBL_2367822	Inhibition of Mtb ClpP1 W174I mutant expressed in Escherichia coli BL21(DE3)
50020584	21	ChEMBL_2367824	Inhibition of Mtb ClpP1 W174A mutant expressed in Escherichia coli BL21(DE3)
50020585	1	ChEMBL_2367826	Inhibition of AEP in mouse kidney lysate using Cbz-Ala-Ala-Asn-AMC as substrate incubated for 30 mins by fluorescence assay
50020585	2	ChEMBL_2367827	Inhibition of recombinant AEP (unknown origin) using Z0AAn-Rh110 as peptide substrate measured for 15 to 30 mins by fluorescence assay
50020585	3	ChEMBL_2367831	Inhibition of AEP (unknown origin) expressed in HEK293-A cells using fluorogenic substrate assessed as fluorescence emission intensity preincubated for 2 hrs followed by incubated with substrate for 5 hrs by cellular assay
50020587	1	ChEMBL_2367882	Inhibition of human SP1 transfected in PC-3 cells by renilla luciferase reporter gene assay
50020587	2	ChEMBL_2367883	Inhibition of human RIPK2
50020587	3	ChEMBL_2367915	Binding affinity to human recombinant DDX5 assessed as dissociation constant
50020587	4	ChEMBL_2367919	Binding affinity to Survivin (unknown origin) assessed as dissociation constant by fluorogenic assay
50020588	1	ChEMBL_2367960	Inhibition of [125I]-VEGF-A165 binding to NPR1 (unknown origin) transfected in HUVECs incubated for 2 hrs by plate reader analysis
50020588	2	ChEMBL_2367963	Inhibition of VEGF (unknown origin)
50020588	3	ChEMBL_2367964	Inhibition of VEGFR1 (unknown origin)
50020588	4	ChEMBL_2367965	Inhibition of VEGFR2 (unknown origin)
50020588	5	ChEMBL_2367966	Inhibition of VEGFR3 (unknown origin)
50020588	6	ChEMBL_2367967	Inhibition of NRP2 (unknown origin)
50020588	7	ChEMBL_2367968	Inhibition of AAK1 (unknown origin)
50020588	8	ChEMBL_2367969	Inhibition of ACVR1 (unknown origin)
50020588	9	ChEMBL_2367970	Inhibition of ACVR2 (unknown origin)
50020588	10	ChEMBL_2367971	Inhibition of ADCK3 (unknown origin)
50020588	11	ChEMBL_2367972	Inhibition of ADCK4 (unknown origin)
50020588	12	ChEMBL_2367973	Inhibition of AKT1 (unknown origin)
50020588	13	ChEMBL_2367974	Inhibition of AKT2 (unknown origin)
50020588	14	ChEMBL_2367975	Inhibition of AKT3 (unknown origin)
50020588	15	ChEMBL_2367976	Inhibition of ALK (unknown origin)
50020588	16	ChEMBL_2367977	Inhibition of ANKK1 (unknown origin)
50020588	17	ChEMBL_2367978	Inhibition of BLK (unknown origin)
50020588	18	ChEMBL_2367979	Inhibition of BMX (unknown origin)
50020588	19	ChEMBL_2367980	Inhibition of BRAF (unknown origin)
50020588	20	ChEMBL_2367981	Inhibition of CDK2 (unknown origin)
50020588	21	ChEMBL_2367982	Inhibition of CDK3 (unknown origin)
50020588	22	ChEMBL_2367983	Inhibition of CDK4 (unknown origin)
50020588	23	ChEMBL_2367984	Inhibition of CDK4/Cyclin D1 (unknown origin)
50020588	24	ChEMBL_2367985	Inhibition of CDK6/Cyclin D3 (unknown origin)
50020588	25	ChEMBL_2367986	Inhibition of CDK5 (unknown origin)
50020588	26	ChEMBL_2367987	Inhibition of CDK7 (unknown origin)
50020588	27	ChEMBL_2367988	Inhibition of CDK8 (unknown origin)
50020588	28	ChEMBL_2367989	Inhibition of SLK (unknown origin)
50020588	29	ChEMBL_2367990	Inhibition of TTK (unknown origin)
50020588	30	ChEMBL_2367991	Inhibition of ZAK (unknown origin)
50020588	31	ChEMBL_2367992	Inhibition of CDK9 (unknown origin)
50020588	32	ChEMBL_2367993	Inhibition of ERK1 (unknown origin)
50020588	33	ChEMBL_2367994	Inhibition of EGFR (unknown origin)
50020588	34	ChEMBL_2367995	Inhibition of FAK (unknown origin)
50020588	35	ChEMBL_2367996	Inhibition of FGR (unknown origin)
50020588	36	ChEMBL_2367997	Inhibition of GAK (unknown origin)
50020588	37	ChEMBL_2367998	Inhibition of HCK (unknown origin)
50020588	38	ChEMBL_2367999	Inhibition of ICK (unknown origin)
50020588	39	ChEMBL_2368000	Inhibition of JNK1 (unknown origin)
50020588	40	ChEMBL_2368001	Inhibition of LCK (unknown origin)
50020588	41	ChEMBL_2368002	Inhibition of MAK (unknown origin)
50020588	42	ChEMBL_2368003	Inhibition of MET (unknown origin)
50020588	43	ChEMBL_2368004	Inhibition of MST1 (unknown origin)
50020588	44	ChEMBL_2368005	Inhibition of NDR1 (unknown origin)
50020588	45	ChEMBL_2368006	Inhibition of PIK3CA (unknown origin)
50020588	46	ChEMBL_2368007	Inhibition of PIM1 (unknown origin)
50020588	47	ChEMBL_2368008	Inhibition of RAF1 (unknown origin)
50020588	48	ChEMBL_2368009	Inhibition of ROS1 (unknown origin)
50020588	49	ChEMBL_2368010	Inhibition of PLK1 (unknown origin)
50020589	1	ChEMBL_2368089	Binding affinity to Nano-Luc fused CRBN (unknown origin) expressed in live HEK293 cells incubated for 30 mins by NanoBRET target engagement assay
50020589	2	ChEMBL_2368090	Binding affinity to Nano-Luc fused CRBN (unknown origin) expressed in digitonin-permeabilized HEK293 cells incubated for 10 mins by NanoBRET target engagement assay
50020590	1	ChEMBL_2368098	Positive allosteric modulation of C-terminal His6-tagged wild type human NAMPT using NAM and PRPP as substrates measured for 1 hr by NMNAT1-coupled enzyme assay
50020590	2	ChEMBL_2368099	Displacement of FP-probe ZN-2-102 from C-terminal His6-tagged wild type human NAMPT rear channel assessed as dissociation constant by fluorescence polarization assay
50020590	3	ChEMBL_2368114	Positive allosteric modulation of NAMPT in human THP-1 cells assessed as increase in cellular NAD+ level incubated for 24 hrs by NAD/NADH-Glo assay
50020591	1	ChEMBL_2368486	Binding affinity to CRM1 (unknown origin) assessed as inhibition of CRM1 binding to IAF-conjugated NES PKI by measuring dissociation constant in the presence of RanGTP by competitive MST analysis
50020592	1	ChEMBL_2368518	Inhibition of interaction of Fc(IgG1)-Avi)-(Biotin)-fused human PDL1 (19 to 239 residues)/Eu-labeled human PD-1 (25 to 167 residues) expressed in HEK293 cells pretreated with PDL1 for 15 mins followed by PD-1 addition and measured after 90 mins by TR-FRET assay
50020592	2	ChEMBL_2368519	Binding affinity to RED-NHS dye labeled human PDL1 incubated for 10 mins away from light by microscale thermophoresis analysis
50020592	3	ChEMBL_2368520	Binding affinity to RED-NHS dye labeled mouse PDL1 incubated for 10 mins away from light by microscale thermophoresis analysis
50020593	1	ChEMBL_2368554	Inhibition of influenza A virus A/Anhui/1/2005 (H5N1) neuraminidase H274Y mutant using 4-MUNANA as substrate incubated for 30 mins by fluorescence based analysis
50020593	2	ChEMBL_2368574	Inhibition of influenza A virus neuraminidase
50020593	3	ChEMBL_2368616	Inhibition of EGFR (unknown origin) by KINOMEscan method
50020593	4	ChEMBL_2368617	Inhibition of PIK3C2beta (unknown origin) by KINOMEscan method
50020596	1	ChEMBL_2368644	Binding affinity to full length human LXRalpha assessed as dissociation constant by SPR analysis
50020597	1	ChEMBL_2368683	Inhibition of human recombinant P-gp ATPase activity in isolated membranes incubated in presence of verapamil by firefly luciferase based luminescence analysis
50020598	1	ChEMBL_2368751	Inhibition of PI3Kalpha (unknown origin)
50020598	2	ChEMBL_2368752	Inhibition of PI3Kbeta (unknown origin)
50020598	3	ChEMBL_2368753	Inhibition of PI3Kdelta (unknown origin)
50020598	4	ChEMBL_2368754	Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISA analysis
50020598	5	ChEMBL_2368765	Inhibition of mTOR in human SR cells by Western blot analysis
50020599	1	ChEMBL_2368766	Inhibition of human recombinant VEGFR-2 in the presence of ATP
50020599	2	ChEMBL_2368767	Inhibition of VEGFR-2 (unknown origin) incubated for 45 mins by ELISA
50020599	3	ChEMBL_2368768	Inhibition of VEGFR-2 (unknown origin) incubated for 2.5 hrs by ELISA method
50020599	4	ChEMBL_2368777	Inhibition of VEGFR-2 (unknown origin) incubated for 45 mins by Kinase-Glo Max assay
50020599	5	ChEMBL_2368778	Inhibition of VEGFR-2 (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 5 mins by ELISA method
50020599	6	ChEMBL_2368779	Inhibition of VEGFR-2 (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 1 hr by ELISA
50020599	7	ChEMBL_2368780	Inhibition of human VEGFR-2 kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate preincubated for 30 mins followed by compound addition incubated for 1 hrs by ELISA
50020599	8	ChEMBL_2368781	Inhibition of human recombinant VEGFR-2 kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate incubated for 60 mins by ELISA method
50020599	9	ChEMBL_2368783	Inhibition of human recombinant VEGFR-2 kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate incubated for 2.5 hrs by ELISA method
50020599	10	ChEMBL_2368784	Inhibition of human recombinant VEGFR-2
50020599	11	ChEMBL_2368785	Inhibition of human recombinant VEGFR-2 kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate incubated for 60 mins by ELISA
50020599	12	ChEMBL_2368786	Inhibition of human recombinant VEGFR-2 kinase activity
50020599	13	ChEMBL_2368787	Inhibition of human recombinant VEGFR-2 expressed in Sf21 insect cells incubated for 60 mins by ELISA
50020599	14	ChEMBL_2368789	Inhibition of recombinant PDGFR-beta (unknown origin) incubated for 60 mins by ADP-Glo assay
50020599	15	ChEMBL_2368791	Inhibition of VEGFR-2 (unknown origin)
50020599	16	ChEMBL_2368792	Inhibition of human VEGFR-2
50020599	17	ChEMBL_2368794	Inhibition of human recombinant VEGFR-2 by ELISA method
50020599	18	ChEMBL_2368797	Inhibition of human VEGFR-2 kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate
50020599	19	ChEMBL_2368800	Inhibition of c-Met (unknown origin)
50020599	20	ChEMBL_2368801	Inhibition of c-Met (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50020599	21	ChEMBL_2368802	Inhibition of recombinant c-Met (unknown origin) using poly Tyrosine peptide as substrate in presence of ATP incubated for 90 mins by Z-LYTE assay
50020599	22	ChEMBL_2368803	Inhibition of VEGFR-2 (978 to 1408 residues) (unknown origin) using pEY (4:1) as substrate for 20 min in the presence of ATP by ELISA method
50020600	1	ChEMBL_2368805	Inhibition of human recombinant JAK1
50020600	2	ChEMBL_2368806	Inhibition of human recombinant JAK2
50020600	3	ChEMBL_2368807	Inhibition of human recombinant JAK3
50020600	4	ChEMBL_2368808	Inhibition of recombinant FLT3 in human MV4-11 cells assessed as reduction in ERK phosphorylation by Western blotting analysis
50020600	5	ChEMBL_2368809	Inhibition of human recombinant CDK2 by Kinomescan method
50020600	6	ChEMBL_2368810	Inhibition of human recombinant TYK2
50020600	7	ChEMBL_2368826	Binding affinity to ALK (unknown origin) assessed as inhibition of constant
50020600	8	ChEMBL_2368827	Binding affinity to ALK L1196M mutant (unknown origin) assessed as inhibition constant
50020600	9	ChEMBL_2368830	Inhibition of His-tagged human recombinant wild type TRKA
50020600	10	ChEMBL_2368831	Inhibition of His-tagged human recombinant TRKA G595R mutant
50020600	11	ChEMBL_2368832	Inhibition of His-tagged human recombinant TRKA G667C mutant
50020600	12	ChEMBL_2368834	Inhibition of His-tagged human recombinant TRKC G623R mutant
50020600	13	ChEMBL_2368835	Inhibition of His-tagged human recombinant wild type TRKC
50020600	14	ChEMBL_2368848	Inhibition of human JAK2 by western blot assay
50020600	15	ChEMBL_2368849	Inhibition of FLT3 in human MV4-11 cells assessed as FLT3 phosphorylation
50020600	16	ChEMBL_2368850	Inhibition of CDK2 (unknown origin) by LANCE ULight TR-FRET assay
50020600	17	ChEMBL_2368851	Inhibition of TRKA G667C mutant (unknown origin)
50020600	18	ChEMBL_2368852	Inhibition of N-terminal GST-tagged human recombinant TRKA G595R mutant
50020600	19	ChEMBL_2368853	Inhibition of N-terminal His-tagged human recombinant wild type TRKA
50020601	1	ChEMBL_2368982	Inhibition of human recombinant full length GST tagged P14KIII alpha (residues 1 to 854) incubated for 10 mins by ADP-Glo kinase method
50020601	2	ChEMBL_2368983	Inhibition of human recombinant GST tagged P14KIII beta incubated for 10 mins by ADP-Glo kinase method
50020602	1	ChEMBL_2369040	Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN engagement assay
50020603	1	ChEMBL_2369094	Binding affinity of WDR5 (unknown origin) assessed as dissociation constant
50020603	2	ChEMBL_2369095	Binding affinity of WDR5 F266A mutant (unknown origin) assessed as dissociation constant
50020603	3	ChEMBL_2369096	Competitive inhibition of WDR5 (unknown origin) assessed as inhibition constant in presence of 5-{[(5S)-5-(6-{6-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-acetamidopropanamido]pentanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]pentanamido]hexanamido]-3-hydroxypropanamido]hexanamido}hexanamido)-5-carbamoylpentyl]carbamoyl}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by fluorescence polarization assay
50020603	4	ChEMBL_2369097	Competitive inhibition of WDR5 (unknown origin) assessed as inhibition constant in presence of 5-[({2-[2-({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S,5S,8S,14S)-8-{[(1S)-1-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-3,6,12,15-tetraoxo-2,5-bis(propan-2-yl)-1,4,7,11-tetraazacyclopentadecan-14-yl]carbamoyl}-2-methylbutyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-2-carboxyethyl]carbamoyl}methoxy)ethoxy]ethyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by fluorescence polarization assay
50020604	1	ChEMBL_2369165	Inhibition of FLT3 D835Y mutant (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50020604	2	ChEMBL_2369166	Inhibition of CHK1 (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50020604	3	ChEMBL_2369168	Inhibition of wildtype FLT3 (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50020604	4	ChEMBL_2369169	Inhibition of c-kit (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader analysis
50020604	5	ChEMBL_2369184	Inhibition of IRAK4 (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	6	ChEMBL_2369185	Inhibition of p70S6K (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	7	ChEMBL_2369186	Inhibition of CDK2 (unknown origin) incubated for 1 hrs by fluorescence microplate reader
50020604	8	ChEMBL_2369187	Inhibition of Aurora A (unknown origin) expressed in Escherichia coli using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	9	ChEMBL_2369199	Inhibition of JAK3 (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	10	ChEMBL_2369200	Inhibition of BTK (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	11	ChEMBL_2369201	Inhibition of EGFR (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	12	ChEMBL_2369202	Inhibition of PIM1 (unknown origin) using peptide substrate incubated for 1 hrs in presence of ATP by fluorescence microplate reader
50020604	13	ChEMBL_2369203	Inhibition of DRAK2 (unknown origin) expressed in Escherichia coli incubated for 2 hrs by ADP-Glo assay
50020605	1	ChEMBL_2369215	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate pre-incubated for 10 mins followed by substrate addition and measured after 15 mins by absorbance based analysis
50020608	1	ChEMBL_2369311	Inhibition of rearranged during transfection kinase (unknown origin)
50020608	2	ChEMBL_2369312	Inhibition of N-terminal Mocr-tagged ASH1L (2069 to 2288 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC analysis
50020608	3	ChEMBL_2369313	Binding affinity to ASH1L SET domain (2069 to 2288 residues) (unknown origin) assessed as dissociation constant by ITC analysis
50020608	4	ChEMBL_2369314	Inhibition of full length human MTH1 expressed in Escherichia coli Rosetta cells
50020608	5	ChEMBL_2369315	Inhibition of human N-terminal GST tagged GAS41 (1 to 148 residues) incubated for 1 hr by fluorescence polarization assay
50020608	6	ChEMBL_2369316	Binding affinity to human A1AR assessed as inhibition constant
50020609	1	ChEMBL_2369318	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in dark by fluorescence based assay
50020609	2	ChEMBL_2369319	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in presence of illumination with LED array by fluorescence based assay
50020609	3	ChEMBL_2369322	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in presence of illumination with 550 nm light by fluorescence based assay
50020609	4	ChEMBL_2369323	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in presence of illumination with 380 nm light by fluorescence based assay
50020609	5	ChEMBL_2369324	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in presence of illumination with 420 nm light by fluorescence based assay
50020609	6	ChEMBL_2369351	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate incubated for 1 hrs in presence of illumination with 365 nm light by fluorescence based assay
50020610	1	ChEMBL_2369353	Displacement of [3H]N-methylspiperone from human D2 receptor in HEK293 cell membranes measured after 60 mins by scintillation counting method
50020610	2	ChEMBL_2369354	Displacement of [3H]N-methylspiperone from human D3 receptor in HEK293 cell membranes measured after 60 mins by scintillation counting method
50020610	3	ChEMBL_2369363	Displacement of [3H]-SCH23390 from D1 receptor in HEK293 cell membranes by scintillation counting method
50020610	4	ChEMBL_2369364	Displacement of [3H]-spiperone from D4 receptor in HEK293 cell membranes by scintillation counting method
50020610	5	ChEMBL_2369365	Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in HEK293 cell membranes by scintillation counting method
50020610	6	ChEMBL_2369366	Displacement of [3H]-5-HT from 5HT2A receptor in HEK293 cell membranes by scintillation counting method
50020610	7	ChEMBL_2369367	Displacement of [3H]-5-HT from 5HT2B receptor in HEK293 cell membranes by scintillation counting method
50020610	8	ChEMBL_2369368	Displacement of [3H]-5-HT from 5HT2C receptor in HEK293 cell membranes by scintillation counting method
50020611	1	ChEMBL_2369509	Inhibition of recombinant mouse soluble epoxide hydrolase using PHOME as substrate assessed as 6-methoxynaphthaldehyde product formation preincubated with compound for 10 mins followed by substrate addition and measured by fluorescence based analysis
50020611	2	ChEMBL_2369510	Inhibition of recombinant human soluble epoxide hydrolase using PHOME as substrate assessed as 6-methoxynaphthaldehyde product formation preincubated with compound for 10 mins followed by substrate addition and measured by fluorescence based analysis
50020612	1	ChEMBL_2369623	Inhibition of PCAF bromodomain/GCN5 bromodomain (unknown origin)
50020612	2	ChEMBL_2369624	Inhibition of ATR (unknown origin) by Alphascreen assay
50020612	3	ChEMBL_2369625	Binding affinity to GST fused CBP bromodomain (1082 to 1197 residues) (unknown origin) expressed in Escherichia coli assessed as dissociation constant by fluorescence spectroscopy
50020612	4	ChEMBL_2369626	Binding affinity to CBP bromodomain (unknown origin) assessed as dissociation constant by tryptophan fluorescence based assay
50020612	5	ChEMBL_2369627	Binding affinity to human CBP assessed as dissociation constant by isothermal titration calorimetry assay
50020612	6	ChEMBL_2369628	Binding affinity to human P300 assessed as dissociation constant by isothermal titration calorimetry assay
50020612	7	ChEMBL_2369629	Binding affinity to human BRD4 bromodomain 2 assessed as dissociation constant by isothermal titration calorimetry assay
50020612	8	ChEMBL_2369630	Binding affinity to human BRD4 bromodomain 1 assessed as dissociation constant by isothermal titration calorimetry assay
50020612	9	ChEMBL_2369632	Binding affinity to CBP bromodomain (unknown origin) assessed as dissociation constant
50020612	10	ChEMBL_2369633	Binding affinity to P300 bromodomain (unknown origin) assessed as dissociation constant
50020612	11	ChEMBL_2369634	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant
50020612	12	ChEMBL_2369635	Inhibition of human CBP bromodomain (R1081 to G1197 residues) expressed in Escherichia coli BL21 (DE3) incubated for 2.5 hrs by luminescence-based AlphaScreen assay
50020612	13	ChEMBL_2369636	Inhibition of recombinant CBP bromodomain (1082 to 1197 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using [SGRG-K (Ac)-GG-K (Ac)-GLG-K (Ac)-GGA-K (Ac)-RHRKVGG-K (biotin) tetra-acetylated peptide substrate pre-incubated for 30 mins followed by substrate addition measured after 120 mins by HTRF assay
50020612	14	ChEMBL_2369637	Inhibition of CBP bromodomain (unknown origin) by AlphaScreen assay
50020612	15	ChEMBL_2369639	Inhibition of human CBP bromodomain (1082 to 1197 residues) expressed in Escherichia coli BL21 (DE3) using H4 peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by TR-FRET high-throughput screening assay
50020612	16	ChEMBL_2369640	Inhibition of human CBP bromodomain (1082 to 1197 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by SPR analysis
50020612	17	ChEMBL_2369642	Binding affinity to CBP (unknown origin) assessed as dissociation constant
50020612	18	ChEMBL_2369643	Binding affinity to P300 (unknown origin) assessed as dissociation constant
50020612	19	ChEMBL_2369644	Binding affinity to BRD9 (unknown origin) assessed as dissociation constant
50020612	20	ChEMBL_2369645	Binding affinity to BRD7 (unknown origin) assessed as dissociation constant
50020612	21	ChEMBL_2369646	Binding affinity to BRD2 bromodomain 1 (unknown origin) assessed as dissociation constant
50020612	22	ChEMBL_2369647	Binding affinity to BRPF1 (unknown origin) assessed as dissociation constant
50020612	23	ChEMBL_2369648	Binding affinity to BRPF3 (unknown origin) assessed as dissociation constant
50020612	24	ChEMBL_2369649	Binding affinity to BRD4 bromodomain 1 (unknown origin) assessed as dissociation constant
50020612	25	ChEMBL_2369654	Inhibition of CBP (unknown origin)
50020612	26	ChEMBL_2369656	Inhibition of PCAF bromodomain (unknown origin)
50020612	27	ChEMBL_2369661	Inhibition of TAF1 bromodomain 2(unknown origin) by Alphascreen assay
50020612	28	ChEMBL_2369668	Inhibition of GST-tagged PCAF bromodomain (unknown origin)
50020616	1	ChEMBL_2369782	Inhibition of CDK2 (unknown origin) assessed as dissociation constant by ITC assay
50020616	2	ChEMBL_2369784	Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CDK2 (unknown origin) measured after 2 hrs by fluorescence based analysis
50020616	3	ChEMBL_2369785	Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CDK2 (unknown origin) incubated for 2 hrs in presence of staurosporine by fluorescence based analysis
50020617	1	ChEMBL_2369814	Induction of NAMPT degradation in human A2780 cells
50020618	1	ChEMBL_2369817	Inhibition of human PKM2 assessed as ATP production incubated for 10 mins by Celltiter-glo luminescent analysis
50020618	2	ChEMBL_2369818	Inhibition of human PKM2 assessed as ATP production incubated for 10 mins in presence of beta-mercaptoethanol by Celltiter-glo luminescent analysis
50020618	3	ChEMBL_2369819	Inhibition of human PKM1 assessed as ATP production incubated for 10 mins by Celltiter-glo luminescent analysis
50020618	4	ChEMBL_2369837	Binding affinity to wild type FLAG-tagged PKM2 in human PA-1 cells measured for 72 hrs
50020618	5	ChEMBL_2369838	Binding affinity to PKM2 C474A mutant in human PA-1 cells measured for 72 hrs
50020618	6	ChEMBL_2369839	Binding affinity to PKM2 C474S mutant in human PA-1 cells measured for 72 hrs
50020620	1	ChEMBL_2369852	Inhibition of recombinant human PEPD using Ala-Pro as substrate assessed as alanine release by measuring increase in fluorescense signal by fluorescence based analysis
50020620	2	ChEMBL_2369853	Inhibition of 6-His tagged XPNPEP1 (unknown origin) expressed in Escherichia coli Rosetta DE3 cells using H-Lys(abz)-Pro-Pro-pNA as substrate incubated for 60 mins by fluorescence based analysis
50020621	1	ChEMBL_2369988	Inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	2	ChEMBL_2369989	Inhibition of recombinant human full-length C-terminal His-tagged HSD17B11 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	3	ChEMBL_2369991	Inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 expressed in HEK293 cells using estradiol as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by rapidfire MS/MS analysis
50020621	4	ChEMBL_2369992	Inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	5	ChEMBL_2370012	Tight binding inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 assessed as inhibition constant by morrison equation
50020621	6	ChEMBL_2370013	Tight binding inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 assessed as inhibition constant by morrison equation
50020621	7	ChEMBL_2370015	Uncompetitive inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	8	ChEMBL_2370016	Uncompetitive inhibition of recombinant human full-length C-terminal His-tagged HSD17B11 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	9	ChEMBL_2370017	Uncompetitive inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 expressed in HEK293 cells using estradiol as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by rapidfire MS/MS analysis
50020621	10	ChEMBL_2370018	Uncompetitive inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 using estradiol and NAD as substrate preincubated for 10 mins followed by substrate addition and measured after 40 mins by MALDI-TOF-MS analysis
50020621	11	ChEMBL_2370019	Uncompetitive tight binding inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 assessed as inhibition constant in presence of NAD by morrison equation
50020621	12	ChEMBL_2370020	Uncompetitive tight binding inhibition of recombinant mouse full-length C-terminal His-tagged HSD17B13 assessed as inhibition constant in presence of NAD by morrison equation
50020621	13	ChEMBL_2370071	Inhibition of recombinant human full-length C-terminal His-tagged HSD17B13 using retinol as substrate and NAD as cosubstrate preincubated for 15 mins followed by substrate and cosubstrate addition and measured after 4 hrs by RapidFire MS analysis
50020622	1	ChEMBL_2370073	Inhibition of KIT V654A mutant (unknown origin) by FRET based assay
50020622	2	ChEMBL_2370074	Inhibition of KIT (delta560 to 576 residues) deletion mutant autophosphorylation at Y703 in human GIST430 harboring KIT (delta560 to 576 residues) deletion mutation at exon 11
50020622	3	ChEMBL_2370075	Inhibition of KIT (delta 560 to 576 residues) deletion/V654A double mutant autophosphorylation at Y703 in human GIST-430/654 harboring KIT (delta 560 to 576 residues) deletion mutation at exon 11 and imatinib resistance mutation V654A in exon 13
50020622	4	ChEMBL_2370076	Inhibition of recombinant human KIT V654A mutant using polyGT and ATP as substrate preincubated for 20 mins followed by substrate addition and measured after 240 mins by FRET assay
50020622	5	ChEMBL_2370077	Inhibition of KIT (delta 560 to 576 residues) deletion/V654A double mutant autophosphorylation at Y703 in human GIST-430/654 harboring KIT (delta560 to 576 residues) deletion mutation and V654A point mutation incubated for 45 mins by Luminex-based bead assay
50020622	6	ChEMBL_2370096	Inhibition of PDGFRA (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	7	ChEMBL_2370097	Inhibition of PDGFRB (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	8	ChEMBL_2370098	Inhibition of wild type KIT (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	9	ChEMBL_2370099	Inhibition of FLT3 (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	10	ChEMBL_2370100	Inhibition of CSF1R (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	11	ChEMBL_2370101	Inhibition of LCK (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50020622	12	ChEMBL_2370142	Inhibition of KIT (560 to 576 residues) deletion mutant autophosphorylation in human GIST430 cells harboring (560 to 576 residues) KIT deletion mutation incubated for 45 mins by Luminex-based bead assay
50020622	13	ChEMBL_2370143	Inhibition of KIT N822K mutant autophosphorylation in human Kasumi 1 cells harboring KIT N822K mutation in exon 17 incubated for 45 mins by Luminex-based bead assay
50020629	1	ChEMBL_2370219	Inhibition of PLK4 (unknown origin) incubated for 1 hr by FRET assay
50020629	2	ChEMBL_2370220	Inhibition of TRKA (unknown origin) using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50020629	3	ChEMBL_2370304	Inhibition of PLK4 (unknown origin)
50020629	4	ChEMBL_2370305	Inhibition of PLK4 (unknown origin) by LanthaScreen eu kinase binding assay
50020633	1	ChEMBL_2370339	Binding affinity to Mycobacterium tuberculosis PknB assessed as dissociation constant at 600 uM by ITC analysis
50020634	1	ChEMBL_2370340	Binding affinity to STAT6 SH2 domain (unknown origin) assessed as inhibition constant by FP assay
50020634	2	ChEMBL_2370341	Binding affinity to N-terminal 6his-tagged human STAT5A (136 to 705 residues) expressed in Escherichia coli BL21-DE3 rosetta cells assessed as inhibition constant by FP assay
50020634	3	ChEMBL_2370342	Binding affinity to STAT5B (unknown origin) assessed as inhibition constant by FP assay
50020634	4	ChEMBL_2370348	Binding affinity to GST-tagged wild type human CRBN assessed as inhibition constant by TR-FRET assay
50020635	1	ChEMBL_2370517	Binding affinity to CK2beta (unknown origin) using casein as substrate in presence of [gamma-32p]-GTP by liquid scintillation counter analysis
50020635	2	ChEMBL_2370518	Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATP
50020635	3	ChEMBL_2370519	Binding affinity to CK2 (unknown origin) assessed as inhibition constant
50020635	4	ChEMBL_2370520	Inhibition of human CK2 using RRRDDDSDDD peptide as substrate in presence of ATP by capillary electrophoresis based analysis
50020635	5	ChEMBL_2370521	Inhibition of CK2 (unknown origin)
50020635	6	ChEMBL_2370522	Inhibition of CK2alpha (unknown origin)
50020635	7	ChEMBL_2370523	Inhibition of CLK2 (unknown origin)
50020635	8	ChEMBL_2370524	Inhibition of human recombinant CK2 using RRRDDDSDDD peptide as substrate incubated for 20 mins in presence of [gamma-32p]-ATP and ATP by beta-counter analysis
50020635	9	ChEMBL_2370525	Inhibition of PIM1 (unknown origin)
50020635	10	ChEMBL_2370526	Inhibition of PIM2 (unknown origin)
50020635	11	ChEMBL_2370527	Binding affinity to CK2 (unknown origin)
50020635	12	ChEMBL_2370529	Inhibition of human recombinant CK2 using RRRDDDSDDD as substrate in presence of [gamma-32p]-ATP by scintillation counter analysis
50020635	13	ChEMBL_2370531	Inhibition of CK2alpha2 (unknown origin)
50020635	14	ChEMBL_2370532	Inhibition of CK2 (unknown origin) incubated for 1.5 hrs in presence of ATP by kinase-glo luminescent kinase assay
50020635	15	ChEMBL_2370533	Inhibition of PIM3 (unknown origin)
50020635	16	ChEMBL_2370535	Inhibition of human recombinant SRPK1 expressed in Escherichia coli in presence of ATP by Kinase-Glo assay
50020635	17	ChEMBL_2370536	Inhibition of human recombinant CK2 in presence of ATP by Kinase-Glo assay
50020635	18	ChEMBL_2370537	Inhibition of TNIK (unknown origin)
50020635	19	ChEMBL_2370538	Inhibition of DYRK1A (unknown origin)
50020635	20	ChEMBL_2370539	Inhibition of DYRK1B (unknown origin)
50020635	21	ChEMBL_2370540	Inhibition of CLK2 (unknown origin) incubated for 60 mins by ADP-Glo reagent based analysis
50020635	22	ChEMBL_2370544	Antagonist activity at CK2 (unknown origin)
50020635	23	ChEMBL_2370545	Binding affinity to CK2 (unknown origin) by ITC assay
50020635	24	ChEMBL_2370546	Inhibition of recombinant CK2 (unknown origin) using RRREDEESDDEE as substrate incubated for 15 mins in presence of [gamma-32p]-ATP by scintillation counter analysis
50020640	1	ChEMBL_2370552	Covalent inhibition of urea-induced Transthyretin denaturation in human plasma preincubated for 1 hr followed by urea addition by Western blot analysis
50020642	1	ChEMBL_2370622	Inhibition of GST-tagged recombinant wild type EGFR (G696 to G1022 residues) (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by kinase-glo plus luminescent kinase assay
50020642	2	ChEMBL_2370623	Inhibition of GST-tagged recombinant EGFR (G696 to G1022 residues) L858R/T790M double mutant (unknown origin) using poly(Glu, Tyr) 4:1 as substrate incubated for 120 mins in presence of ATP by kinase-glo plus luminescent kinase assay
50020644	1	ChEMBL_2370661	Displacement of [35S]GTPgammaS from PPLS-HA tagged human GPR88 overexpressed in CHO cells membrane incubated for 60 mins radioligand binding assay
50020644	2	ChEMBL_2370669	Displacement of [35S]GTPgammaS from mouse striatal membrane GPR88 incubated for 60 mins by radioligand binding assay
50020646	1	ChEMBL_2370686	Binding affinity to N-terminal His-tagged full length recombinant human HSET assessed as dissociation constant incubated for 3 hrs in presence of 7 ug/ml of microtubules by fluorescence polarization assay
50020646	2	ChEMBL_2370687	Inhibition of N-terminal His-tagged full length recombinant human HSET assessed as inhibition of microtubule-stimulated ATPase activity incubated for 10 mins in presence of 3 uM of ultra-ATP by ADP-Glo kinase assay
50020646	3	ChEMBL_2370692	Inhibition of N-terminal His-tagged full length recombinant human HSET assessed as inhibition of microtubule-stimulated ATPase activity incubated for 10 mins in presence of 500 uM of ultra-ATP by ADP-Glo kinase assay
50020646	4	ChEMBL_2370693	Inhibition of GST-tagged Eg5 (unknown origin) assessed as inhibition of microtubule-stimulated ATPase activity incubated for 80 mins in presence of ATP by ADP-Glo reagent based assay
50020646	5	ChEMBL_2370696	Binding affinity to N-terminal His-tagged full length recombinant human HSET assessed as dissociation constant by fluorescence polarization assay
50020646	6	ChEMBL_2370697	Binding affinity to N-terminal His-tagged full length recombinant human HSET assessed as dissociation constant incubated for 3 hrs in presence of 70 ug/ml of microtubules by fluorescence polarization assay
50020646	7	ChEMBL_2370698	Displacement of FP-Probe from N-terminal His-tagged full length recombinant human HSET incubated for 2 hrs by fluorescence polarization based competitive binding assay
50020649	1	ChEMBL_2370706	Agonist activity at human recombinant GST-tagged CAR LBD incubated for 1 to 4 hrs in presence of fluorescein-labeled PGC1alpha by lanthascreen TR-FRET assay
50020649	2	ChEMBL_2370710	Agonist activity at human CAR LBD in human HepG2 cells incubated for 24 hrs by firefly luciferase reporter assay
50020649	3	ChEMBL_2370714	Activation of PXR in human HepG2 cells incubated for 24 hrs by dual luciferase reporter assay
50020650	1	ChEMBL_2370830	Inhibition of EGFR T790M mutant (unknown origin) using Tyr 04 peptide as substrate incubated for 1 hrs in the presence of ATP by FRET-based Z'-Lyte assay
50020650	2	ChEMBL_2370831	Inhibition of recombinant GSTP1 (unknown origin) using GSH as substrate incubated for 5 mins by absorbance based analysis
50020652	1	ChEMBL_2370919	Inhibition of STAT3 in human HEK293 cells assessed as inhibition of IL-6 stimulated STAT3 phosphorylation incubated for 24 hrs by dual-luciferase reporter assay
50020653	1	ChEMBL_2371009	Inhibition of recombinant human aSMase (62 to 628 residues) using HMU-PC as substrate incubated for 2 hrs by fluorescence based assay
50020654	1	ChEMBL_2371091	Binding affinity to CMS sensor chip immobilized His-SUMO-tagged mouse NLRP3 expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50020655	1	ChEMBL_2371103	Inhibition of human EAAT3 transfected in African green monkey COS-1 cells assessed as inhibition of [3H]L-glutamate uptake by measuring inhibition constant
50020655	2	ChEMBL_2371104	Inhibition of human EAAT1 transfected in African green monkey COS-1 cells assessed as reduction in [14C]glutamate uptake incubated for 12 mins by scintillation counting based analysis
50020655	3	ChEMBL_2371105	Inhibition of human EAAT2 transfected in African green monkey COS-1 cells assessed as reduction in [14C]glutamate uptake incubated for 12 mins by scintillation counting based analysis
50020655	4	ChEMBL_2371107	Inhibition of human EAAT2 transfected in African green monkey COS-1 cells assessed as inhibition of [3H]L-glutamate uptake by measuring inhibition constant
50020655	5	ChEMBL_2371108	Inhibition of human EAAT1 transfected in African green monkey COS-1 cells assessed as inhibition of [3H]L-glutamate uptake by measuring inhibition constant
50020655	6	ChEMBL_2371109	Inhibition of human EAAT3 transfected in African green monkey COS-1 cells assessed as reduction in [14C]glutamate uptake
50020655	7	ChEMBL_2371111	Inhibition of human EAAT2 transfected in MDCK cells assessed as reduction in [14C]glutamate uptake
50020655	8	ChEMBL_2371112	Inhibition of human EAAT3 transfected in MDCK cells assessed as reduction in [14C]glutamate uptake
50020655	9	ChEMBL_2371116	Inhibition of human EAAT2 transfected in MDCK cells assessed as reduction in L-[3H]glutamate uptake measured upto 30 mins
50020655	10	ChEMBL_2371119	Inhibition of human EAAT1 transfected in African green monkey COS-1 cells assessed as reduction in [14C]glutamate uptake
50020655	11	ChEMBL_2371120	Inhibition of human EAAT2 transfected in African green monkey COS-1 cells assessed as reduction in [14C]glutamate uptake
50020656	1	ChEMBL_2371124	Binding affinity to uPAR H47C/N259C (unknown origin) mutant assessed as equilibrium dissociation constant by surface plasmon resonance (SPR) analysis relative to control
50020657	1	ChEMBL_2371224	Binding affinity to human wildtype full length RIPK3 (M1 to Q307 residues) expressed in bacterial expression system assessed as dissociation constant by kinome scan kd select based qPCR analysis
50020657	2	ChEMBL_2371225	Binding affinity to human wildtype full length RIPK1 (M1 to K305 residues) expressed in bacterial expression system assessed as dissociation constant by kinome scan kd select based qPCR analysis
50020658	1	ChEMBL_2371290	Binding affinity to wild type SARS-COV2 main protease expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by small angle X-ray scattering analysis
50020658	2	ChEMBL_2371291	Binding affinity to SARS-COV2 main protease assessed as dissociation constant by analytical ultracentrifugation analysis
50020658	3	ChEMBL_2371292	Binding affinity to SARS-COV2 main protease assessed as dissociation constant by mass spectrometry analysis
50020661	1	ChEMBL_2371683	Binding affinity to human recombinant adrenergic alpha2B receptor expressed in CHO cell assessed as inhibition constant by radioactive binding assay
50020661	2	ChEMBL_2371684	Antagonist activity at rat adrenergic alpha2B
50020661	3	ChEMBL_2371685	Antagonist activity at dog adrenergic alpha2B
50020662	1	ChEMBL_2371711	Inhibition of HDAC1 (unknown origin)
50020662	2	ChEMBL_2371724	Inhibition of HDAC1 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	3	ChEMBL_2371725	Inhibition of HDAC2 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	4	ChEMBL_2371726	Inhibition of HDAC3 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	5	ChEMBL_2371727	Inhibition of HDAC4 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	6	ChEMBL_2371728	Inhibition of HDAC5 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	7	ChEMBL_2371729	Inhibition of HDAC6 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	8	ChEMBL_2371730	Inhibition of HDAC7 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	9	ChEMBL_2371731	Inhibition of HDAC8 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020662	10	ChEMBL_2371732	Inhibition of HDAC9 (unknown origin) assessed as release of fluorogenic AMC preincubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins Spectra max microplate reader analysis
50020666	1	ChEMBL_2371813	Inhibition of full length N-terminal GST-tagged human syntenin-1 expressed in Escherichia coli ER2566/syndecan2 (unknown origin) interaction incubated for 16 hrs by HTRF assay
50020666	2	ChEMBL_2371816	Binding affinity to full length N-terminal GST-tagged human syntenin-1 expressed in Escherichia coli ER2566 assessed as dissociation constant by ITC analysis
50020667	1	ChEMBL_2371846	Inhibition of ROCK1 (unknown origin)
50020667	2	ChEMBL_2371847	Inhibition of ROCK2 (unknown origin)
50020667	3	ChEMBL_2371848	Inhibition of ROCK1 (unknown origin) by ADP-Glo assay
50020667	4	ChEMBL_2371849	Inhibition of ROCK2 (unknown origin) by ADP-Glo assay
50020667	5	ChEMBL_2371854	Binding affinity to ROCK1 (unknown origin) assessed as inhibition constant
50020667	6	ChEMBL_2371855	Binding affinity to ROCK2 (unknown origin) assessed as inhibition constant
50020668	1	ChEMBL_2371860	Inhibition of full length human recombinant HPK1 expressed in baculovirus-infected insect cells using 5-FAM-KRRALSSLRA-COOH peptide as substrate preincubated with enzyme and ATP for 20 mins followed by substrate addition and measured after 1 hrs by microfluidic mobility shift assay
50020668	2	ChEMBL_2371862	Inhibition of HPK1 in human Jurkat cells assessed as reduction in SLP76 phosphorylation pretreated for 30 mins by HTRF assay
50020668	3	ChEMBL_2371867	Inhibition of full length C-terminal his6-tagged human recombinant PKCtheta using -FAMRFARKGSLRQKNV-COOH peptide as substrate preincubated with enzyme and ATP for 20 mins followed by substrate addition and measured after 1 hrs by microfluidic mobility shift assay
50020668	4	ChEMBL_2371868	Inhibition of full length human recombinant PKCeta expessed in baculovirus infected insect cells using 5-FAM-RFARKGSLRQKNV-COOH peptide as substrate preincubated with enzyme and ATP for 20 mins followed by substrate addition and measured after 30 mins by microfluidic mobility shift assay
50020668	5	ChEMBL_2371879	Inhibition of MAP4K3 (unknown origin) by by FRET based Z'-LYTE assay
50020670	1	ChEMBL_2371897	Displacement of [3H]-(+)-pentazocine from guinea pig brain membrane sigma 1 receptor assessed as inhibition constant measured after 120 mins by scintillation counting method
50020670	2	ChEMBL_2371898	Displacement of [3H]di-o-tolylguanidine from rat liver membrane sigma 2 receptor assessed as inhibition constant measured after 120 mins by scintillation counting method
50020670	3	ChEMBL_2371899	Displacement of [3H]ifenprodil from GluN2B in mouse LTK cells assessed as inhibition constant measured after 120 mins by scintillation counting method
50020671	1	ChEMBL_2371922	Binding affinity to biotinylated human DCAF1 (1038 to 1400 residues) expressed in baculovirus infected in Sf9 insect cells assessed as dissociation constant measured for 60 secs by SPR analysis
50020671	2	ChEMBL_2371923	Binding affinity to biotinylated human DCAF1 (1038 to 1400 residues) expressed in baculovirus infected in Sf9 insect cells assessed as dissociation constant by ITC analysis
50020671	3	ChEMBL_2371933	Binding affinity to N-terminal 3xflag-HiBiT-tagged human DCAF1 (1038 to 1400 residues) expressed in human NCI-H460 cells assessed as thermal stability incubated for 1 hr followed by exposure to varying temperature for 3.5 mins by CETSA assay
50020672	1	ChEMBL_2371969	Inhibition of TYK2 (unknown origin) using ULight - JAK (Tyr1023) substrate incubated for 60 mins in presence of ATP by envision plate reader based analysis
50020672	2	ChEMBL_2371970	Inhibition of JAK1 (unknown origin) using ULight - JAK (Tyr1023) substrate incubated for 60 mins in presence of ATP by envision plate reader based analysis
50020672	3	ChEMBL_2371971	Inhibition of JAK2 (unknown origin) using ULight - JAK (Tyr1023) substrate incubated for 60 mins in presence of ATP by envision plate reader based analysis
50020672	4	ChEMBL_2371972	Inhibition of JAK3 (unknown origin) using ULight - JAK (Tyr1023) substrate incubated for 60 mins in presence of ATP by envision plate reader based analysis
50020672	5	ChEMBL_2371973	Inhibition of human recombinant JAK1 preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF assay
50020672	6	ChEMBL_2371974	Inhibition of human recombinant JAK2 preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF assay
50020672	7	ChEMBL_2371975	Inhibition of human recombinant JAK3 preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF assay
50020672	8	ChEMBL_2371976	Inhibition of human recombinant TYK2 preincubated for 15 mins followed by substrate addition measured after 60 mins by HTRF assay
50020672	9	ChEMBL_2371977	Inhibition of JAK2/TYK2 signal transduction pathway in human NK92 cells assessed as IL-2 induced IFNgamma expression incubated for 24 hrs by ELISA assay
50020672	10	ChEMBL_2371978	Inhibition of TYK2 JH2 (unknown origin) by scintillation proximity assay
50020672	11	ChEMBL_2371979	Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay
50020672	12	ChEMBL_2371983	Inhibition of JAK2/TYK2 signal transduction pathway in human whole blood assessed as reduction in IL-23 induced IFNalpha expression
50020672	13	ChEMBL_2371984	Inhibition of JAK2/TYK2 signal transduction pathway in human T cell assessed as reduction in IL-23 induced IFNalpha expression by steady-glo luciferase assay
50020672	14	ChEMBL_2371985	Inhibition of IKKbeta (unknown origin)
50020672	15	ChEMBL_2371986	Inhibition of JAK2/TYK2 in HEK293T cells co-expressing luciferase gene under control of ISRE assessed as reduction in IFNalpha expression incubated for 6 hrs by one-glo reagent based luciferase reporter gene assay
50020672	16	ChEMBL_2371987	Inhibition of JAK2/TYK2 in HEK-Blue IL-23 cells assessed as reduction in SEAP reporter gene expression incubated for 21 hrs by Quanti-blue assay
50020672	17	ChEMBL_2371988	Inhibition of JAK2 in human TF-1 cells assessed as reduction of STAT5 phosphorylation by ELISA assay
50020672	18	ChEMBL_2371989	Binding affinity to human wild-type partial length TYK2 JH2 (G556 to D888 residues) expressed in mammalian expression system by KINOMEscan assay
50020672	19	ChEMBL_2371990	Binding affinity to JAK1 JH2 (unknown origin)
50020672	20	ChEMBL_2371993	Inhibition of JAK2/TYK2 signal transduction pathway in human PBMC cells assessed as IL-12 induced p-STAT4 level incubated for 30 mins
50020672	21	ChEMBL_2371994	Inhibition of JAK2/TYK2 signal transduction pathway in human PBMC cells assessed as reduction in GM-CSF induced p-STAT5 level incubated for 20 mins
50020672	22	ChEMBL_2371995	Inhibition of TYK2 JH2 in human TF-1 cells assessed as reduction of IFNalpha induced STAT1 phosphorylation
50020672	23	ChEMBL_2371996	Inhibition of IL-23 induced STAT3 phosphorylation in human KIT225 cells by AlphaLISA assay
50020672	24	ChEMBL_2371997	Inhibition of IL-23 induced STAT3 phosphorylation in human Jurkat cells incubated for 30 mins by microplate reader analysis
50020672	25	ChEMBL_2372001	Binding affinity to wild-type partial length human recombinant JAK2 JH2 (unknown origin) (A829 to G1132 residues) expressed in mammalian expression system by competition binding assay
50020672	26	ChEMBL_2372002	Binding affinity to wild-type partial length human recombinant JAK1 JH1 (unknown origin) (V856 to K1154 residues) expressed in bacterial expression system by competition binding assay
50020672	27	ChEMBL_2372003	Binding affinity to wild-type partial length human recombinant JAK2 JH1 (unknown origin) (A829 to G1132 residues) expressed in mammalian expression system by competition binding assay
50020672	28	ChEMBL_2372004	Binding affinity to wild-type partial length human recombinant JAK3 JH1 (unknown origin) (I781 to S1124 residues) expressed in mammalian expression system by competition binding assay
50020672	29	ChEMBL_2372005	Inhibition of TYK2 JH2 in human KIT225 cells assessed as reduction of IFNalpha induced STAT1 phosphorylation by AlphaLISA assay
50020672	30	ChEMBL_2372006	Inhibition of IL-6 induced STAT3 phosphorylation in human TF-1 cells by AlphaLISA assay
50020672	31	ChEMBL_2372008	Inhibition of TYK2 in HEK-Blue IL-23 cells assessed as reduction in SEAP reporter gene expression by Quanti-blue assay
50020672	32	ChEMBL_2372009	Binding affinity to TYK2 JH2 (unknown origin)
50020672	33	ChEMBL_2372010	Binding affinity to JAK2 JH1 (unknown origin)
50020672	34	ChEMBL_2372011	Inhibition of TYK2 signal transduction pathway in human PBMC cells assessed as IFNalpha induced p-STAT5 level
50020672	35	ChEMBL_2372012	Inhibition of TYK2 signal transduction pathway in human PBMC cells assessed as reduction in GM-CSF induced p-STAT5 level
50020672	36	ChEMBL_2372013	Inhibition of TYK2 signal transduction pathway in human PBMC cells assessed as IL-2 induced p-STAT5 level
50020672	37	ChEMBL_2372016	Inhibition of JAK JH1 (unknown origin)
50020672	38	ChEMBL_2372019	Inhibition of TYK2 JH2 (561 to 860 residues) (unknown origin) by HTRF assay
50020672	39	ChEMBL_2372020	Inhibition of JAK1 JH2 (unknown origin)
50020672	40	ChEMBL_2372021	Inhibition of JAK2/TYK2 signal transduction pathway in human NK92 cells assessed as IL-12 induced STAT4 phosphorylation
50020672	41	ChEMBL_2372022	Inhibition of TYK2 signal transduction pathway in human TF-1 cells assessed as reduction in GM-CSF induced p-STAT5 level
50020672	42	ChEMBL_2372026	Binding affinity to His-tagged human recombinant TYK2 JH2 (556 to 871 residues) incubated for 10 hrs by microplate reader based analysis
50020672	43	ChEMBL_2372027	Inhibition of JAK2/TYK2 signal transduction pathway in human PBMC cells assessed as IL-23 induced p-STAT4 level by AlphaLISA assay
50020672	44	ChEMBL_2372028	Inhibition of JAK2/TYK2 signal transduction pathway in human PBMC cells assessed as IL-12 induced p-STAT4 level by AlphaLISA assay
50020672	45	ChEMBL_2372029	Inhibition of TYK2 JH2 (unknown origin)
50020672	46	ChEMBL_2372030	Inhibition of TYK2 JH1 (unknown origin)
50020672	47	ChEMBL_2372031	Inhibition of JAK1 (unknown origin)
50020672	48	ChEMBL_2372032	Inhibition of JAK2 (unknown origin)
50020672	49	ChEMBL_2372033	Inhibition of JAK3 (unknown origin)
50020673	1	ChEMBL_2372131	Inhibition of ITK (unknown origin)
50020673	2	ChEMBL_2372155	Inhibition of IL-2 in human Jurkat cells pretreated with compound for 4 hrs followed by anti-CD3/CD28 stimulation by ELISA analysis
50020673	3	ChEMBL_2372156	Inhibition of IL-2 in human Jurkat T cells pretreated with compound for 16 hrs followed by anti-CD3 stimulation by ELISA analysis
50020674	1	ChEMBL_2372333	Inhibition of recombinant MAT2A (unknown origin) expressed in baculovirus infected Sf9 insect cells using L-methionine as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by Kinase-Glo Luminescent assay
50020676	1	ChEMBL_2372362	Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by TR-FRET based LanthaScreen competitive binding assay
50020676	2	ChEMBL_2372364	Binding affinity to PPARdelta (unknown origin) assessed as inhibition constant by TR-FRET based LanthaScreen competitive binding assay
50020676	3	ChEMBL_2372367	Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in fluorescein labeled SMRT-ID2 corepressor peptide requirement by TR-FRET assay
50020677	1	ChEMBL_2372376	Inhibition of NLRP3 inflammasome activation in LPS-treated human THP-1 cells assessed as inhibition of ATP-stimulated IL-1beta release at 1 uM incubated for 30 mins followed by ATP stimulation for 1 hr by ELISA method
50020677	2	ChEMBL_2372381	Inhibition of NLRP3 inflammasome activation in LPS-treated mouse BMDM cells assessed as inhibition of ATP-stimulated IL-1beta release incubated for 30 mins followed by ATP stimulation for 1 hr by ELISA method
50020677	3	ChEMBL_2372382	Inhibition of NLRP3 inflammasome activation in human THP-1 cells
50020678	1	ChEMBL_2372411	Antagonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of fibronectin-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in fibronectin coated wells by fluorescence plate reader assay
50020678	2	ChEMBL_2372412	Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of fibronectin-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in fibronectin coated wells by fluorescence plate reader assay
50020678	3	ChEMBL_2372413	Antagonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of vascular cell adhesion molecule 1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in vascular cell adhesion molecule 1 coated wells by fluorescence plate reader assay
50020678	4	ChEMBL_2372414	Agonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of vascular cell adhesion molecule 1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in vascular cell adhesion molecule 1 coated wells by fluorescence plate reader assay
50020678	5	ChEMBL_2372415	Antagonist activity at alpha4beta7 integrin receptor in human RPMI-8866 cells assessed as inhibition of mucosal vascular add-ressin cell adhesion molecule 1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in mucosal vascular add-ressin cell adhesion molecule 1 coated wells by fluorescence plate reader assay
50020678	6	ChEMBL_2372416	Agonist activity at alpha4beta7 integrin receptor in human RPMI-8866 cells assessed as inhibition of mucosal vascular add-ressin cell adhesion molecule 1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in mucosal vascular add-ressin cell adhesion molecule 1 coated wells by fluorescence plate reader assay
50020678	7	ChEMBL_2372417	Antagonist activity at alphaMbeta2 integrin receptor in human HL-60 cells assessed as inhibition of fibrinogen-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in fibrinogen coated wells by fluorescence plate reader assay
50020678	8	ChEMBL_2372418	Agonist activity at alphaMbeta2 integrin receptor in human HL-60 cells assessed as inhibition of fibrinogen-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in fibrinogen coated wells by fluorescence plate reader assay
50020678	9	ChEMBL_2372419	Antagonist activity at alpha1beta2 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of ICAM-1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in ICAM-1 coated wells by fluorescence plate reader assay
50020678	10	ChEMBL_2372420	Agonist activity at alpha1beta2 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of ICAM-1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in ICAM-1 coated wells by fluorescence plate reader assay
50020678	11	ChEMBL_2372421	Antagonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of fibronectin-induced cell adhesion
50020678	12	ChEMBL_2372422	Agonist activity at alpha5beta1 integrin receptor in human K562 cells assessed as inhibition of fibronectin-induced cell adhesion pre-incubated for 30 mins followed by 1 hr incubation in fibronectin coated wells by fluorescence plate reader assay
50020678	13	ChEMBL_2372423	Antagonist activity at alpha4beta1 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of vascular cell adhesion molecule 1-induced cell adhesion
50020678	14	ChEMBL_2372424	Antagonist activity at alpha1beta2 integrin receptor in human Jurkat E6.1 cells assessed as inhibition of ICAM-1-induced cell adhesion pre-incubated for 30 mins followed by 30 mins incubation in ICAM-1 coated wells by fluorescence based assay
50020678	15	ChEMBL_2372425	Binding affinity to alpha4beta1 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in fibronectin coated wells by fluorescence based assay
50020678	16	ChEMBL_2372426	Binding affinity to alpha4beta1 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in vascular cell adhesion molecule 1-induced cell adhesion coated wells by fluorescence based assay
50020678	17	ChEMBL_2372427	Binding affinity to alpha4beta7 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in mucosal vascular add-ressin cell adhesion molecule 1 coated wells by fluorescence based assay
50020678	18	ChEMBL_2372428	Binding affinity to alphaMbeta2 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in fibrinogen coated wells by fluorescence based assay
50020678	19	ChEMBL_2372429	Binding affinity to alpha1beta2 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in ICAM-1 coated wells by fluorescence based assay
50020678	20	ChEMBL_2372430	Binding affinity to alpha5beta1 integrin receptor (unknown origin) preincubated for 30 mins followed by 30 mins incubation in fibronectin coated wells by fluorescence based assay
50020682	1	ChEMBL_2372436	Activation of human SOS1 mediated nucleotide exchange in presence of BODIPY-GDP by fluorescence based analysis
50020682	2	ChEMBL_2372437	Inhibition of human His-tagged SOS1 by FRET assay
50020682	3	ChEMBL_2372438	Inhibition of EGFR (unknown origin)
50020682	4	ChEMBL_2372439	Inhibition of SOS1/KRAS (unknown origin) protein-protein interaction
50020682	5	ChEMBL_2372440	Inhibition of SOS1 CD (564 to 1049 residues) (unknown origin) mediated nucleotide exchange in presence of BODIPY-FL-GDP by fluorescence based analysis
50020682	6	ChEMBL_2372441	Inhibition of SOS1 (unknown origin) mediated nucleotide exchange in presence of BODIPY-FL-GDP by fluorescence based analysis
50020684	1	ChEMBL_2372451	Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cells incubated for 60 mins by liquid scintillation method
50020684	2	ChEMBL_2372452	Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cells assessed as inhibition constant incubated for 60 mins by liquid scintillation method
50020685	1	ChEMBL_2372458	Antagonist activity against CCR8 (unknown origin) expressed in CHO-K1 cells preincubated for 1 hr followed by CCL1 addition measured after 24 hrs by ONE-Glo assay
50020685	2	ChEMBL_2372467	Inhibition of CCR8-mediated cell migration in CCL1-induced human PBMC preincubated for 1 hr followed by CCL1 addition measured after 4 hrs by cell counting method
50020686	1	ChEMBL_2372530	Inhibition of recombinant wild type HIV-1 reverse transcriptase using DNA/RNA as substrate incubated for 40 mins by Pico-green dye based spectrofluorometric analysis
50020689	1	ChEMBL_2372705	Inhibition of mouse Spns2 expressed in Hela cells assessed as S1P release incubated for 18 to 20 hrs by LC-MS/MS analysis
50020691	1	ChEMBL_2372722	Inhibition of P-gp-mediated multidrug resistance in doxorubicin-resistant human MCF7/ADR cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 incubated for 48 hrs by CCK-8 assay
50020695	1	ChEMBL_2372746	Inhibition of human Nav1.6 expressed in HEK293 cells by automated patch-clamp assay
50020695	2	ChEMBL_2372747	Inhibition of human Nav1.2 expressed in CHO cells by whole-cell patch clamp assay
50020695	3	ChEMBL_2372748	Agonist activity at Kv7.2 (unknown origin) expressed in human HEK293 cells
50020695	4	ChEMBL_2372749	Agonist activity at Kv7.2/Kv7.3 (unknown origin) expressed in human HEK293 cells
50020695	5	ChEMBL_2372751	Agonist activity at Kv7.2/Kv7.3 (unknown origin) expressed in human HEK293 cells by whole cell patch clamp assay
50020695	6	ChEMBL_2372753	Inhibition of Cav3.1 (unknown origin)
50020695	7	ChEMBL_2372754	Inhibition of Cav3.2 (unknown origin)
50020695	8	ChEMBL_2372755	Inhibition of Cav3.3 (unknown origin)
50020695	9	ChEMBL_2372757	Positive allosteric modulation of GABAA alpha2 receptor (unknown origin) assessed as inhibition constant
50020695	10	ChEMBL_2372758	Positive allosteric modulation of GABAA alpha3 receptor (unknown origin) assessed as inhibition constant
50020695	11	ChEMBL_2372763	Inhibition of GABA-AT (unknown origin)
50020695	12	ChEMBL_2372770	Inhibition of sEH (unknown origin)
50020696	1	ChEMBL_2372837	Binding affinity to recombinant human Raptor and measured for 200 sec by SPR analysis
50020698	1	ChEMBL_2372865	Inhibition of MAGL (unknown origin) incubated for 15 mins
50020699	1	ChEMBL_2372971	Inhibition of C-terminal FLAG tagged full length human HAT1/Rbap46 transfected in HEK293F cells using histone H4 peptide as substrate and 4-pentynoyl-CoA as cofactor preincubated for 10 mins followed by 4-pentynoyl-CoA addition and measured after 1 hr by amplex red dye based fluorescence analysis
50020699	2	ChEMBL_2372976	Binding affinity to CM5 sensor chip immobilized C-terminal FLAG tagged full length human HAT1/Rbap46 assessed as dissociation constant by SPR analysis
50020699	3	ChEMBL_2373000	Inhibition of human CBP incubated for 20 mins followed by 3H-Acetyl CoA addition and measured after 30 mins
50020699	4	ChEMBL_2373001	Inhibition of human KAT5 incubated for 20 mins followed by 3H-Acetyl CoA addition and measured after 30 mins
50020699	5	ChEMBL_2373002	Inhibition of human MYST2 incubated for 20 mins followed by 3H-Acetyl CoA addition and measured after 30 mins
50020699	6	ChEMBL_2373003	Inhibition of human MYST4 incubated for 20 mins followed by 3H-Acetyl CoA addition and measured after 30 mins
50020699	7	ChEMBL_2373004	Inhibition of human p300 incubated for 20 mins followed by 3H-Acetyl CoA addition and measured after 30 mins
50020699	8	ChEMBL_2373010	Inhibition of C-terminal FLAG tagged full length human HAT1/Rbap46 transfected in HEK293F cells using histone H4 peptide as substrate and acetyl-CoA as cofactor preincubated for 10 mins followed by acetyl-CoA addition and measured after 1 hr by amplex red dye based fluorescence analysis
50020700	1	ChEMBL_2373012	Agonist activity at STING in human 293-Dual hSTING-R232 cells assessed as IRF3 activation by measuring ISRE-inducible SEAP activity by QUANTI-Blue assay
50020700	2	ChEMBL_2373013	Agonist activity at STING in human 293-Dual hSTING-R232 cells assessed as INF-beta activation by measuring lucia luciferase activity by QUANTI-Blue assay
50020700	3	ChEMBL_2373014	Binding affinity to His-tagged wild type human STING C-terminal domain (149 to 379 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by ITC analysis
50020700	4	ChEMBL_2373019	Binding affinity to His-tagged wild type human STING C-terminal domain (149 to 379 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by biolayer interferometry analysis
50020700	5	ChEMBL_2373094	Binding affinity to wild-type STING (unknown origin) assessed as dissociation constant by ITC analysis
50020700	6	ChEMBL_2373096	Agonist activity at STING in human THP-1 cells by IFN-reporter based assay
50020700	7	ChEMBL_2373097	Displacement of [3H]-cGAMP from full-length wild type human STING by filtration binding assay
50020700	8	ChEMBL_2373098	Binding affinity to wild type human STING by HTRF based cGAMP competition assay
50020700	10	ChEMBL_2373100	Displacement of [3H]-cGAMP from human STING CTD (149 to 379 residues) by competition binding assay
50020701	1	ChEMBL_2373103	Inhibition of His tagged human recombinant CDK8/Cyclin C expressed in baculovirus expression system incubated for 15 mins by FRET-based LanthaScreen binding competition assay
50020701	2	ChEMBL_2373111	Binding affinity to CLK1 (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	3	ChEMBL_2373112	Binding affinity to CLK2 (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	4	ChEMBL_2373113	Binding affinity to CSNK1G3 (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	5	ChEMBL_2373114	Binding affinity to DYRK1B (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	6	ChEMBL_2373115	Binding affinity to GSK3A (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	7	ChEMBL_2373116	Binding affinity to GSK3B (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	8	ChEMBL_2373117	Binding affinity to LATS2 (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	9	ChEMBL_2373118	Binding affinity to VPS34 (unknown origin) assessed as dissociation constant by competitive binding assay
50020701	10	ChEMBL_2373119	Inhibition of CDK19 (unknown origin)
50020703	1	ChEMBL_2373255	Inhibition of human partial length EGFR (R669 to V1011 residues) L858R/T790M mutant expressed in mammalian expression system by KINOMEscan analysis
50020703	2	ChEMBL_2373256	Inhibition of human partial length EGFR (R669 to V1011 residues) L858R mutant expressed in bacterial expression system by KINOMEscan analysis
50020703	3	ChEMBL_2373257	Inhibition of human partial length EGFR (R669 to G1022 residues) T790M mutant expressed in mammalian expression system by KINOMEscan analysis
50020703	4	ChEMBL_2373258	Inhibition of human EGFR exon del19 mutant by KINOMEscan analysis
50020703	5	ChEMBL_2373259	Inhibition of human wild type partial length TEC kinase (L341 to D620 residues) expressed in bacterial expression system by KINOMEscan analysis
50020703	6	ChEMBL_2373260	Inhibition of human wild type partial length Src kinase (L240 to L536 residues) expressed in bacterial expression system by KINOMEscan analysis
50020703	7	ChEMBL_2373261	Inhibition of human wild type partial length SLK (S14 to A307 residues) expressed in bacterial expression system by KINOMEscan analysis
50020704	1	ChEMBL_2373526	Inhibition of JAK2 (unknown origin) incubated for 30 mins in presence of ATP by HTRF assay
50020704	2	ChEMBL_2373527	Inhibition of HDAC in human HeLa cells nuclear extract incubated for 30 mins by multiplate reader analysis
50020704	3	ChEMBL_2373528	Inhibition of HDAC1 in human HeLa cells nuclear extract incubated for 30 mins by multiplate reader analysis
50020704	4	ChEMBL_2373538	Inhibition of HDAC2 (unknown origin)
50020704	5	ChEMBL_2373539	Inhibition of HDAC3 (unknown origin)
50020704	6	ChEMBL_2373540	Inhibition of HDAC4 (unknown origin)
50020704	7	ChEMBL_2373541	Inhibition of HDAC5 (unknown origin)
50020704	8	ChEMBL_2373542	Inhibition of HDAC6 (unknown origin)
50020704	9	ChEMBL_2373543	Inhibition of HDAC7 (unknown origin)
50020704	10	ChEMBL_2373544	Inhibition of HDAC8 (unknown origin)
50020704	11	ChEMBL_2373545	Inhibition of HDAC9 (unknown origin)
50020704	12	ChEMBL_2373546	Inhibition of HDAC10 (unknown origin)
50020704	13	ChEMBL_2373547	Inhibition of HDAC11 (unknown origin)
50020704	14	ChEMBL_2373548	Inhibition of JAK1 (unknown origin)
50020704	15	ChEMBL_2373549	Inhibition of JAK2 (unknown origin)
50020704	16	ChEMBL_2373550	Inhibition of JAK3 (unknown origin)
50020704	17	ChEMBL_2373551	Inhibition of TYK2 (unknown origin)
50020705	1	ChEMBL_2373625	Antagonist activity at P2Y6R (unknown origin)
50020705	2	ChEMBL_2373631	Binding affinity to human recombinant P2Y6R assessed as dissociation constant by grating-coupled interferometry analysis
50020707	1	ChEMBL_2373674	Inhibition of recombinant Anopheles gambiae AchE1 using acetylthiocholine iodide as substrate by spectrophotometric Ellman's method
50020707	2	ChEMBL_2373676	Inhibition of recombinant human AchE using acetylthiocholine iodide as substrate by spectrophotometric Ellman's method
50020707	3	ChEMBL_2373678	Binding affinity to recombinant Anopheles gambiae AchE1 assessed as inhibition constant using acetylthiocholine iodide as substrate by spectrophotometric Ellman's method
50020707	4	ChEMBL_2373680	Binding affinity to recombinant human AchE assessed as inhibition constant using acetylthiocholine iodide as substrate by spectrophotometric Ellman's method
50020708	1	ChEMBL_2373712	Inhibition of NIK (unknown origin) catalyzed ATP hydrolysis assessed as inhibition constant by fluorescence polarization method
50020708	2	ChEMBL_2373713	Inhibition of NIK in HEK-293 cells assessed as inhibition of NIK-dependent NF-kappaB response element expression by firefly luciferase reporter gene based analysis
50020708	3	ChEMBL_2373716	Inhibition of NIK in HUVEC cells assessed as inhibition of anti-LTf3R-stimulated p52 nuclear translocation
50020708	4	ChEMBL_2373727	Inhibition of NIK (unknown origin) catalyzed ATP hydrolysis by fluorescence polarization method
50020708	6	ChEMBL_2373732	Inhibition of PKD1 (unknown origin) assessed as inhibition constant
50020708	7	ChEMBL_2373733	Inhibition of PKD1 (unknown origin)
50020710	1	ChEMBL_2373788	Inhibition of HIV-1 reverse transcriptase RT52A mutant using ABTS as substrate preincubated with compound for 1 hr followed by template-primer addition for 1 hr and measured 20 mins after substrate addition by absorbance based Roche colorimetric assay
50020711	1	ChEMBL_2373789	Binding affinity to human C1S assessed as inhibition constant
50020711	2	ChEMBL_2373791	Binding affinity to factor D (unknown origin) assessed as inhibition constant
50020711	3	ChEMBL_2373792	Binding affinity to thrombin (unknown origin) assessed as inhibition constant
50020711	4	ChEMBL_2373793	Binding affinity to trypsin (unknown origin) assessed as inhibition constant
50020711	5	ChEMBL_2373795	Inhibition of human recombinant N-terminal IgG tagged and C-terminal His tagged C1S (358 to 688 aa residues) expressed in HEK293 cells using Z-Lys-SBzl peptide as substrate pretreated with compound followed by substrate addition incubated for 60 mins
50020711	6	ChEMBL_2373796	Inhibition of human recombinant N-terminal IgG tagged and C-terminal His tagged C1R (375 to 705 aa residues) expressed in HEK293 cells using Z-Gly-Arg-SBzl peptide as substrate pretreated with compound followed by substrate addition incubated for 60 mins
50020711	7	ChEMBL_2373797	Inhibition of human recombinant N-terminal IgG tagged and C-terminal His tagged MASP2 (298 to 686 aa residues) expressed in Expi293 cells using Z-Gly-Arg-SBzl peptide and BES-Thio as substrate pretreated with compound followed by substrate addition incubated for 60 mins by multilabel plate reader method
50020711	8	ChEMBL_2373798	Inhibition of human recombinant N-terminal IgG tagged and C-terminal His tagged factor D (26 to 253 aa residues) expressed in Expi293 cells using Z-Lys-SBzl peptide and BES-Thio as substrate pretreated with compound followed by substrate addition incubated for 60 mins by multilabel plate reader method
50020711	9	ChEMBL_2373799	Inhibition of human thrombin using L5-FAM/QXLTM 520 thrombin as substrate pretreated with compound followed by substrate addition incubated for 60 mins by multilabel plate reader method
50020711	10	ChEMBL_2373800	Inhibition of human recombinant trypsin using Boc-phe-Ser-Arg-MCA as substrate pretreated with compound followed by substrate addition incubated for 60 mins by multilabel plate reader method
50020711	11	ChEMBL_2373804	Inhibition of human recombinant plasmin using Boc-Val-Leu-Lys-MCA as substrate pretreated with compound followed by substrate addition incubated for 60 mins by multilabel plate reader method
50020712	1	ChEMBL_2373828	Agonist activity at human Nurr1-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	2	ChEMBL_2373831	Inhibition of human recombinant DHODH by colorimetric assay
50020712	3	ChEMBL_2373833	Agonist activity at Nur77 (unknown origin) by Gal4 hybrid reporter gene assay
50020712	4	ChEMBL_2373835	Agonist activity at NOR1 (unknown origin) by Gal4 hybrid reporter gene assay
50020712	5	ChEMBL_2373839	Agonist activity at human THRalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	6	ChEMBL_2373840	Agonist activity at human RARalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	7	ChEMBL_2373841	Agonist activity at human PPARalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	8	ChEMBL_2373842	Agonist activity at human PPARgamma-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	9	ChEMBL_2373843	Agonist activity at human VDR-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	10	ChEMBL_2373844	Agonist activity at human FXR-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	11	ChEMBL_2373845	Agonist activity at human RXRalpha-LBD transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	12	ChEMBL_2373846	Agonist activity at human Nurr1 monomer NBRE transfected in HEK293T cells co-transfected with pFR-Luc/pRL-SV40 assessed as transfection efficiency by measuring luciferase activity measured after 16 hrs by Gal4 hybrid reporter gene assay
50020712	13	ChEMBL_2373848	Binding affinity to Nurr1-LBD (unknown origin) by Isothermal titration colorimetry
50020712	14	ChEMBL_2373852	Inhibition of rat recombinant DHODH by colorimetric assay
50020714	1	ChEMBL_2373880	Displacement of [3H]N-methylspiperone from Dopamine D2 receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	2	ChEMBL_2373885	Displacement of [3H]N-methylspiperone from Dopamine D3 receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	3	ChEMBL_2373890	Displacement of [3H]N-methylspiperone from Dopamine D4 receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	4	ChEMBL_2373896	Displacement of [3H]-SCH23390 from Dopamine D1 receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	5	ChEMBL_2373900	Displacement of [3H]N-methylspiperone from Dopamine D5 receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	6	ChEMBL_2373901	Displacement of [3H]-LSD from 5-HT1A receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	7	ChEMBL_2373906	Displacement of [3H]-LSD from 5-HT2A receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020714	8	ChEMBL_2373907	Displacement of [3H]-LSD from 5-HT2C receptor (unknown origin) expressed in HEK293T cell membrane incubated for 2 hrs by radioligand competitive binding based MicroBeta TriLux reader method
50020717	1	ChEMBL_2374099	Binding affinity to VHL (unknown origin) assessed as dissociation constant
50020717	2	ChEMBL_2374100	Binding affinity to VHL (unknown origin) assessed as dissociation constant by calorimetric assay
50020718	1	ChEMBL_2374174	Inhibition of human BuChE by Ellman's method
50020718	2	ChEMBL_2374177	Inhibition of equine serum BuChE by Ellman's method
50020719	1	ChEMBL_2374182	Inhibition of URAT1 (unknown origin) assessed as decrease in uric acid level
50020719	2	ChEMBL_2374183	Inhibition of human URT1
50020719	3	ChEMBL_2374184	Inhibition of URAT1 (unknown origin)
50020719	4	ChEMBL_2374185	Inhibition of OAT4 (unknown origin)
50020719	5	ChEMBL_2374186	Inhibition of ABCG2 (unknown origin)
50020719	6	ChEMBL_2374188	Inhibition of XO (unknown origin)
50020720	1	ChEMBL_2374211	Agonist activity at FXR-LBD (unknown origin) using fluorescein-coactivator peptide by Lanthascreen TR-FRET assay
50020720	2	ChEMBL_2374212	Agonist activity at PPARdelta (unknown origin) transfected in HepG2 cells incubated for 18 hrs by dual-glo luciferase assay
50020720	3	ChEMBL_2374213	Agonist activity at PPARgamma (unknown origin) transfected in HEK293 cells incubated for 18 hrs by based dual-glo luciferase assay
50020720	4	ChEMBL_2374214	Agonist activity at pBIND-PPARalpha (unknown origin) transfected in HepG2 cells incubated for 18 hrs by dual-glo luciferase assay
50020720	5	ChEMBL_2374216	Inhibition of human COX-2 using arachidonic acid as substrate incubated for 3 mins followed by substrate addition
50020720	6	ChEMBL_2374217	Inhibition of human COX-1 using arachidonic acid as substrate incubated for 3 mins followed by substrate addition
50020721	1	ChEMBL_2374371	Inhibition of JNK1 (unknown origin) by ATP-competitive assay
50020721	2	ChEMBL_2374372	Inhibition of JNK2 (unknown origin) by ATP-competitive assay
50020721	3	ChEMBL_2374373	Inhibition of JNK3 (unknown origin) by ATP-competitive assay
50020721	4	ChEMBL_2374376	Inhibition of JNK1 (unknown origin) assessed as incorporation of 33P-ATP
50020721	5	ChEMBL_2374377	Inhibition of JNK2 (unknown origin) assessed as incorporation of 33P-ATP
50020721	6	ChEMBL_2374378	Inhibition of human JNK3 incubated for 40 mins in presence of ATP and [gamma33P-ATP] by scintillation counting method
50020721	7	ChEMBL_2374379	Inhibition of human JNK1 incubated for 40 mins in presence of ATP and [gamma33P-ATP] by scintillation counting method
50020721	8	ChEMBL_2374380	Inhibition of human JNK2 incubated for 40 mins in presence of ATP and [gamma33P-ATP] by scintillation counting method
50020721	9	ChEMBL_2374381	Inhibition of human GSK3alpha assessed as incorporation of 33P-ATP
50020721	10	ChEMBL_2374382	Inhibition of human GSK3beta assessed as incorporation of 33P-ATP
50020721	11	ChEMBL_2374383	Inhibition of MKK6 (unknown origin) assessed as incorporation of 33P-ATP
50020721	12	ChEMBL_2374384	Inhibition of MOK (unknown origin) assessed as incorporation of 33P-ATP
50020721	13	ChEMBL_2374385	Inhibition of human SAPK2a assessed as incorporation of 33P-ATP
50020721	14	ChEMBL_2374387	Inhibition of human SAPK2b assessed as incorporation of 33P-ATP
50020721	15	ChEMBL_2374388	Inhibition of MKK4 (unknown origin) assessed as incorporation of 33P-ATP
50020721	16	ChEMBL_2374389	Inhibition of human JNK1alpha1 assessed as incorporation of 33P-ATP
50020721	17	ChEMBL_2374390	Inhibition of human JNK2alpha1 assessed as incorporation of 33P-ATP
50020722	1	ChEMBL_2374499	Inhibition of COL1A1 (unknown origin) expressed in human LX2 cells incubated for 48 hrs by Bright-Glo luciferase assay
50020722	2	ChEMBL_2374526	Binding affinity to FXR (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50020723	1	ChEMBL_2374627	Inhibition of Mps1 (unknown origin) incubated for 120 mins in presence of substrate/ATP by ADP-Glo assay
50020725	1	ChEMBL_2374649	Inhibition of IDO1 in human HeLa cells using L-Tryptophan as substrate incubated for 24 hrs by microplate reader analysis
50020725	2	ChEMBL_2374650	Inhibition of IDO1 in mouse CT26 cells using L-Tryptophan as substrate incubated for 24 hrs by microplate reader analysis
50020725	3	ChEMBL_2374651	Inhibition of IDO1 in human HCT-116 cells using L-Tryptophan as substrate incubated for 24 hrs by microplate reader analysis
50020725	4	ChEMBL_2374652	Inhibition of TrxR1 in human HeLa cells incubated for 24 hrs
50020725	5	ChEMBL_2374653	Inhibition of TrxR1 in human HCT-116 cells incubated for 24 hrs
50020725	6	ChEMBL_2374654	Inhibition of TrxR1 in mouse CT26 cells incubated for 24 hrs
50020725	7	ChEMBL_2374657	Inhibition of TDO (unknown origin) using L-Trp as substrate incubated for 75 mins
50020725	8	ChEMBL_2374658	Inhibition of IDO2 (unknown origin) using D-Trp as substrate incubated for 1 hr
50020725	9	ChEMBL_2374659	Inhibition of TrxR3 (unknown origin) incubated for 1 hr in presence of NADPH by microplate reader analysis
50020725	10	ChEMBL_2374660	Inhibition of TrxR2 (unknown origin) incubated for 1 hr in presence of NADPH by microplate reader analysis
50020725	11	ChEMBL_2374661	Inhibition of recombinant rat TrxR1 incubated for 1 hr in presence of NADPH by microplate reader analysis
50020725	12	ChEMBL_2374663	Inhibition of recombinant human IDO1 using L-Trp as substrate incubated for 1 hr
50020726	1	ChEMBL_2374859	Inhibition of IDO1 in HEK293T cells assessed as reduction in kynurenine level incubated for 24 hrs
50020726	2	ChEMBL_2374861	Inhibition of TDO (unknown origin) expressed in HEK293 cells
50020726	3	ChEMBL_2374863	Inhibition of IDO1 in HEK293 cells
50020726	4	ChEMBL_2374864	Inhibition of IDO1 in human HeLa cells
50020729	1	ChEMBL_2374881	Agonist activity at Gal4-fused FXR LBD (unknown origin) transfected in HEK293T cells co-transfected with Peak12-Gal4UAS-luciferase reporter assessed as receptor transactivation incubated for 24 hrs by firefly luciferase assay
50020729	2	ChEMBL_2374882	Agonist activity at GST-tagged FXR (unknown origin) assessed as increase in recruitment of co-activator SRC-2 by LanthaScreen TR-FRET assay
50020730	1	ChEMBL_2374932	Inhibition of EGFR L858R/T790M mutant (unknown origin) using poly (Glu,Tyr) as substrate incubated for 40 mins in presence of ATP by Kinase-Glo luminescent analysis
50020730	2	ChEMBL_2374938	Inhibition of EGFR (unknown origin)
50020731	1	ChEMBL_2374956	Displacement of [3H]dexamethasone from human GR by radioligand binding assay
50020731	2	ChEMBL_2374957	Displacement of [3H ]rosiglitazone from human PPARgamma by radioligand binding assay
50020732	1	ChEMBL_2374990	Inhibition of JNK3 (unknown origin) using ATF2 as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting analysis
50020732	2	ChEMBL_2374991	Inhibition of JNK2 (unknown origin) incubated for 20 mins in presence of 33P-ATP
50020732	3	ChEMBL_2374992	Inhibition of JNK1 (unknown origin) incubated for 20 mins in presence of 33P-ATP
50020732	4	ChEMBL_2374993	Inhibition of GSK3beta (unknown origin) incubated for 20 mins in presence of 33P-ATP
50020732	5	ChEMBL_2374994	Inhibition of p38alpha (unknown origin) incubated for 20 mins in presence of 33P-ATP
50020733	1	ChEMBL_2375025	Inhibition of KRAS G12C mutant in human NCI-H358 cells measured for 0.5 to 4 hrs by immunoblot analysis
50020733	2	ChEMBL_2375027	Inhibition of KRAS G12C mutant/SOS1 (unknown origin) interaction incubated for 2 hrs in presence of GTP by HTRF assay
50020734	1	ChEMBL_2375091	Inhibition of TRPV1 (unknown origin)
50020734	2	ChEMBL_2375092	Antagonist activity at TRPV1 (unknown origin)
50020734	3	ChEMBL_2375093	Binding affinity to human TRPV1 assessed as inhibition constant by SPR analysis
50020734	4	ChEMBL_2375094	Inhibition of human TRPV1
50020734	5	ChEMBL_2375095	Activation of human TRPV1 expressed in HEK293F cells
50020734	6	ChEMBL_2375096	Agonist activity at human TRPV1 overexpressed in HEK293 cells incubated for 1 hr by Fluo-4 AM dye based microscopic analysis
50020734	7	ChEMBL_2375099	Antagonist activity at TRPV4 (unknown origin) assessed as inhibition of capsaicin induced Ca2+ influx
50020734	8	ChEMBL_2375100	Antagonist activity at human recombinant TPRV1
50020734	9	ChEMBL_2375102	Antagonist activity at human TRPV1 expressed in HEK293F cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50020734	10	ChEMBL_2375103	Antagonist activity at human recombinant TRPV1 expressed in HEK293T cells assessed as inhibition of capsaicin-induced TRPV1 channel activation by FLIPR-based Ca2+ assay
50020736	1	ChEMBL_2375108	Inhibition of recombinant EGFR (unknown origin) by kinase glo detection reagent based assay
50020736	2	ChEMBL_2375109	Inhibition of FGFR-1 (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50020736	3	ChEMBL_2375111	Inhibition of recombinant VEGFR2 (unknown origin) by kinase glo detection reagent based assay
50020738	1	ChEMBL_2375192	Inhibition of BTK (unknown origin) incubated for 40 mins by radiometric kinase assay
50020738	2	ChEMBL_2375193	Inhibition of FLT3 (unknown origin) incubated for 40 mins by radiometric kinase assay
50020739	1	ChEMBL_2375297	Inhibition of Plasmodium falciparum DXR assessed as inhibition constant incubated for 72 hrs
50020740	1	ChEMBL_2375316	Inhibition of Pim-1 activity (unknown origin) by Eurofins radiometric assay
50020741	1	ChEMBL_2375469	Inhibition of RET (unknown origin)
50020741	2	ChEMBL_2375470	Inhibition of VEGFR2 (unknown origin)
50020741	3	ChEMBL_2375471	Inhibition of FLT3 (unknown origin)
50020741	4	ChEMBL_2375480	Inhibition of TRKA (unknown origin) using ser/thr 06 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-lyte assay
50020741	5	ChEMBL_2375481	Inhibition of TRKC (unknown origin) using ser/thr 06 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-lyte assay
50020741	6	ChEMBL_2375482	Inhibition of TRKB (unknown origin) using ser/thr 06 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-lyte assay
50020741	7	ChEMBL_2375483	Inhibition of TRKA G667C mutant (unknown origin) using ser/thr 06 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-lyte assay
50020742	1	ChEMBL_2375555	Inhibition of Mycobacterium tuberculosis InhA-catalysed chemical reaction in presence of NADH measured for 1 min by UV/Visible spectrophotometry
50020742	2	ChEMBL_2375559	Noncompetitive inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrate assessed as inhibition constant for enzyme-substrate-inhibitor ternary complex in presence of varying concentrations of NADH by double reciprocal plot analysis
50020742	3	ChEMBL_2375560	Noncompetitive inhibition of Mycobacterium tuberculosis InhA using DD-CoA as substrate assessed as inhibition constant for enzyme-inhibitor binary complex in presence of varying concentrations of NADH by double reciprocal plot analysis
50020742	4	ChEMBL_2375561	Competitive inhibition of Mycobacterium tuberculosis InhA using varying concentrations of DD-CoA as substrate assessed as inhibition constant for enzyme-inhibitor binary complex in presence of NADH by Lineweaver-Burk plot analysis
50020742	5	ChEMBL_2375590	Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 25 degreeC in presence of NADH by fluorescence spectroscopy
50020742	6	ChEMBL_2375608	Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 15 degreeC in presence of NADH by fluorescence spectroscopy
50020742	7	ChEMBL_2375609	Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 20 degreeC in presence of NADH by fluorescence spectroscopy
50020742	8	ChEMBL_2375610	Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant at 250 uM at 30 degreeC in presence of NADH by fluorescence spectroscopy
50020742	9	ChEMBL_2375611	Binding affinity to Mycobacterium tuberculosis H37Rv InhA assessed as dissociation constant in presence of NADH, octenoyl-CoA and KatG
50020742	10	ChEMBL_2375612	Binding affinity to wild type Mycobacterium tuberculosis InhA assessed as inhibition constant for formation of enzyme-inhibitor complex in presence of NADH and DD-CoA by spectrophotometry based analysis
50020742	11	ChEMBL_2375613	Binding affinity to wild type Mycobacterium tuberculosis InhA assessed as inhibition constant in presence of NADH, DD-CoA by spectrophotometry based analysis
50020745	1	ChEMBL_2375620	Inhibition of Staphylococcus aureus DNA gyrase supercoiling incubated for 30 mins in presence of ATP
50020745	2	ChEMBL_2375621	Inhibition of Escherichia coli DNA gyrase supercoiling incubated for 30 mins in presence of ATP
50020745	3	ChEMBL_2375622	Inhibition of Staphylococcus aureus DNA topoisomerase 4 relaxation activity measured for 30 mins
50020748	1	ChEMBL_2375685	Inhibition of C-terminal His6-MBP-tagged SARS-CoV-2 MPro preincubated for 30 mins followed by substrate addition by FRET assay
50020748	2	ChEMBL_2375686	Inhibition of SARS-CoV-2 RdRp preincubated for 5 mins followed by UTP addition measured after 20 mins by Picogreen fluorescence based assay
50020748	3	ChEMBL_2375700	Binding affinity to Src (unknown origin) assessed as inhibition constant in presence of ATP by competitive binding assay
50020748	4	ChEMBL_2375701	Binding affinity to Bcr-Abl (unknown origin) assessed as inhibition constant in presence of ATP by competitive binding assay
50020748	5	ChEMBL_2375709	Inhibition of C-Raf (unknown origin) in presence of ATP by competitive binding assay
50020748	6	ChEMBL_2375710	Inhibition of B-Raf V600E mutant (unknown origin) in presence of ATP by competitive binding assay
50020748	7	ChEMBL_2375714	Binding affinity to human D2 receptor assessed as inhibition constant
50020748	8	ChEMBL_2375715	Binding affinity to human D3 receptor assessed as inhibition constant
50020748	9	ChEMBL_2375716	Binding affinity to human D4 receptor assessed as inhibition constant
50020748	10	ChEMBL_2375717	Binding affinity to bovine milk XO using xanthine as substrate assessed as inhibition constant by Dixon plot based method
50020748	11	ChEMBL_2375718	Binding affinity to bovine milk XO using xanthine as substrate assessed as inhibition constant by 1/V-axis intercept replot based method
50020748	12	ChEMBL_2375719	Inhibition of COX-2 (unknown origin) assessed as reduction in PGE2 production
50020748	13	ChEMBL_2375720	Inhibition of COX-1 (unknown origin) assessed as reduction in PGE2 production
50020748	14	ChEMBL_2375724	Inhibition of activated human factor X/activated human factor V complex derived prothrombinase using S-2238 as substrate
50020748	15	ChEMBL_2375728	Inhibition of activated human factor X
50020748	16	ChEMBL_2375732	Inhibition of AChE (unknown origin)
50020749	1	ChEMBL_2375871	Inhibition of N-terminal His10-StrepII tagged human ROCK2 catalytic domain (1 to 553 residues) expressed in Sf9 insect cells by HTRF assay
50020749	2	ChEMBL_2375898	Inhibition of ROCK1 (unknown origin)
50020749	3	ChEMBL_2375899	Inhibition of PKCdelta (unknown origin)
50020749	4	ChEMBL_2375900	Inhibition of IKKbeta (unknown origin)
50020749	5	ChEMBL_2375901	Inhibition of PIM1 (unknown origin)
50020749	6	ChEMBL_2375902	Inhibition of ASK1 (unknown origin)
50020749	7	ChEMBL_2375903	Inhibition of PLK1 (unknown origin)
50020749	8	ChEMBL_2375914	Inhibition of human ROCK2 (unknown origin)
50020750	1	ChEMBL_2375926	Inhibition of JNK1 (unknown origin)
50020750	2	ChEMBL_2375927	Inhibition of JNK2 (unknown origin)
50020750	3	ChEMBL_2375928	Inhibition of JNK3 (unknown origin)
50020750	4	ChEMBL_2375932	Inhibition of JNK3 (unknown origin) by radiometric assay
50020750	5	ChEMBL_2375933	Inhibition of human JNK1-alpha1 using ATF2 peptide as substrate incubated for 40 mins in presence of gamma-33-P-ATP by scintillation counting method
50020750	6	ChEMBL_2375934	Inhibition of human JNK2-alpha2 using ATF2 peptide as substrate incubated for 40 mins in presence of gamma-33-P-ATP by scintillation counting method
50020750	7	ChEMBL_2375935	Inhibition of human JNK3 using ATF2 peptide as substrate incubated for 40 mins in presence of gamma-33-P-ATP by scintillation counting method
50020750	8	ChEMBL_2375936	Inhibition of ERK1 (unknown origin) by Eurofins kinase profiling assay
50020750	9	ChEMBL_2375937	Inhibition of ERK2 (unknown origin) by Eurofins kinase profiling assay
50020750	10	ChEMBL_2375938	Inhibition of p38-alpha (unknown origin) by Eurofins kinase profiling assay
50020752	1	ChEMBL_2375957	Inhibition of influenza A virus polymerase PB2 expressed in HEK293T cells cotransfected with PGK-renilla-luciferase pretreated with cells for 2 hrs followed by enzyme addition and measured after 24 hrs by dual-Glo luciferase assay
50020752	2	ChEMBL_2375961	Binding affinity to recombinant Influenza A virus polymerase PB2 cap-binding domain (318 to 413 residues) assessed as dissociation constant by ITC method
50020755	1	ChEMBL_2375992	Inhibition of HIV1 Vif
50020757	1	ChEMBL_2375999	Inhibition of HIF-1 alpha transcriptional activity in human U-251 cells incubated for 24 hrs under hypoxia condition by luciferse reporter assay
50020758	1	ChEMBL_2376080	Inhibition of Clk1 (unknown origin) using synthetic peptide of SF2/ASF RS domain by [gamma-32P]ATP binding assay
50020758	2	ChEMBL_2376081	Inhibition of DYRK1A (unknown origin)
50020758	3	ChEMBL_2376082	Inhibition of CLK1 (unknown origin) using AFRREWSPGKEAKK peptide substrate
50020758	4	ChEMBL_2376083	Inhibition of DYRK1A (unknown origin) using YRASPSRPESPRPPA peptide substrate
50020758	5	ChEMBL_2376084	Inhibition of Clk1 (unknown origin)
50020758	6	ChEMBL_2376087	Inhibition of human 130-end recombinant CLK1 assessed as remaining activity using ERMRPRKRQGSVR as substrate by [gamma-32P]ATP binding based scintillation counting based analysis
50020758	7	ChEMBL_2376088	Inhibition of human full length recombinant DYRK1A assessed as remaining activity using RRRFRPASPLRGPP as substrate by [gamma-32P]ATP binding based scintillation counting based analysis
50020759	1	ChEMBL_2376151	Displacement of 125I-IL-8 from CXCR2 (unknown origin) expressed in CHO cell membrane incubated for 1 hr by liquid scintillation counter analysis
50020759	2	ChEMBL_2376153	Displacement of [125I]-CXCL8 from human CXCR2 transfected in CHO-K1 cell membrane incubated for 45 mins by scintillation proximity binding assay
50020759	3	ChEMBL_2376154	Displacement of 125I-IL-8 from CXCR2 (unknown origin)
50020759	4	ChEMBL_2376155	Displacement of 125I-IL-8 from CXCR1 (unknown origin)
50020760	1	ChEMBL_2376160	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 2 mins by ELISA method
50020760	2	ChEMBL_2376161	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 2 mins by ELISA method
50020760	3	ChEMBL_2376163	Inhibition of LOX (unknown origin) using arachidonic/linoleic acid as substrate preincubated for 5 mins followed by substrate addition measured after 10 mins by absorbance based assay
50020760	4	ChEMBL_2376164	Binding affinity to human CA1 assessed as inhibition constant by stopped flow kinetic assay
50020760	5	ChEMBL_2376165	Binding affinity to human CA2 assessed as inhibition constant by stopped flow kinetic assay
50020760	6	ChEMBL_2376166	Binding affinity to human CA9 assessed as inhibition constant by stopped flow kinetic assay
50020760	7	ChEMBL_2376167	Binding affinity to human CA12 assessed as inhibition constant by stopped flow kinetic assay
50020762	1	ChEMBL_2376187	Inhibition of FAK (unknown origin)
50020763	1	ChEMBL_2376230	Inhibition of RIPK1 (unknown origin) using MBP substrate incubated for 2 hrs by ADP-Glo kinase function assay
50020764	1	ChEMBL_2376245	Inverse agonist activity at Gal4-tagged mouse ERR-gamma LBD transfected in HEK293T cells co-expressing FR-luc assessed as inhibition of transcriptional activity incubated for 24 hrs by luciferase reporter gene assay
50020764	2	ChEMBL_2376252	Binding affinity to ERR-gamma LBD (unknown origin) assessed as dissociation constant by ITC analysis
50020765	1	ChEMBL_2376388	Inhibition of PDE3 (unknown origin)
50020765	2	ChEMBL_2376389	Inhibition of PDE4 (unknown origin)
50020765	3	ChEMBL_2376390	Inhibition of PDE4D (unknown origin)
50020765	4	ChEMBL_2376391	Inhibition of PDE4B (unknown origin)
50020765	5	ChEMBL_2376392	Inhibition of human full length PDE4B2 assessed as cAMP by measuring fluorescence intensity preincubated for 10 mins followed by cAMP addition further incubated for 30 mins
50020765	6	ChEMBL_2376393	Inhibition of human full length PDE4D2 assessed as cAMP by measuring fluorescence intensity preincubated for 10 mins followed by cAMP addition further incubated for 30 mins
50020766	1	ChEMBL_2376399	Agonist activity at human FXR
50020766	2	ChEMBL_2376400	Agonist activity at FXR (unknown origin)
50020767	1	ChEMBL_2376405	Inhibition of human recombinant IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate preincubated for 30 mins followed by substrate addition and measured after 20 mins by SpectraMax microplate reader analysis
50020767	2	ChEMBL_2376406	Inhibition of IDO1 in IFN-gamma-induced human HeLa cells assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate preincubated for 24 hrs followed by substrate addition and measured after 30 mins by SpectraMax microplate reader analysis
50020768	1	ChEMBL_2376445	Inhibition of PIM-1 (unknown origin)
50020769	1	ChEMBL_2376488	Inhibition of 15N-labeled NSD2 (953 to 1240 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 using H3K36 as substrate incubated for 60 mins by Alphascreen assay
50020769	2	ChEMBL_2376489	Inhibition of NSD2 (unknown origin) using H3K36 as substrate
50020769	3	ChEMBL_2376490	Inhibition of NSD1 (unknown origin) using H3K36 as substrate
50020769	4	ChEMBL_2376491	Inhibition of NSD3 (unknown origin) using H3K36 as substrate
50020769	5	ChEMBL_2376492	Inhibition of recombinant NSD2-SET (unknown origin) expressed in Escherichia coli BL21 using H3K36 as substrate preincubated for 20 mins followed by SAM addition and measured after 120 mins by colorimetric assay
50020769	6	ChEMBL_2376493	Inhibition of NSD2 (unknown origin)
50020769	7	ChEMBL_2376498	Inhibition of NSD2 in human CGTH-W-1 cells assessed as reduction in H3K36me2 level incubated for 72 hrs by ELISA
50020769	8	ChEMBL_2376499	Inhibition of NSD2 in human KMS-11-Par cells assessed as reduction in H3K36me2 level incubated for 72 hrs by ELISA
50020769	9	ChEMBL_2376500	Inhibition of MMSET (unknown origin)
50020769	10	ChEMBL_2376501	Inhibition of WHSC1 (941 to 1240 residues) (unknown origin) using biotinylated-RLARRGGVKRISGLI as substrate incubated for 120 mins in presence of [3H]-SAM by Topcount scintillation counting method
50020769	11	ChEMBL_2376502	Binding affinity to Avi-tagged WHSC1 (941 to 1240 residues) (unknown origin) by SPR assay
50020769	12	ChEMBL_2376503	Binding affinity to human biotinylated NSD2 (208 to 368 residues) expressed in Escherichia coli BL21(DE3) by SPR assay
50020770	1	ChEMBL_2376580	Binding affinity to his-tagged recombinant human MRE11 assessed as dissociation constant by MST assay
50020771	1	ChEMBL_2376609	Inhibition of Escherichia coli NDM-1 expressed in Escherichia coli BL21 (DE3) using nitrocefin as substrate by microplate reader analysis
50020771	2	ChEMBL_2376648	Binding affinity to Escherichia coli NDM-1 assessed as equilibrium dissociation constant measured for 60 sec by bio-layer interferometry analysis
50020771	3	ChEMBL_2376652	Inhibition of Metallo-beta-lactamase NDM-1 (unknown origin) using nitrocefin as substrate incubated for 5 to 10 mins by spectramax reader analysis
50020772	1	ChEMBL_2376678	Inhibition of wild type B-RAF (unknown origin) expressed in Escherichia coli BL21 (DE3)
50020772	2	ChEMBL_2376679	Inhibition of B-RAF V600E mutant (unknown origin) expressed in Escherichia coli BL21 (DE3)
50020773	1	ChEMBL_2376869	Inhibition of N-terminal GST-tagged PAD4 (unknown origin) expressed in Escherichia coli incubated for 1 hr by spectrophotometric method
50020773	2	ChEMBL_2376870	Inhibition of N-terminal full length recombinant human PAD4 expressed in Escherichia coli Rosetta cells
50020773	3	ChEMBL_2376871	Inhibition of N-terminal GST-tagged PAD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) measured after 1 hr by colorimetric assay
50020773	4	ChEMBL_2376872	Inhibition of N-terminal His6-tagged human MerTk
50020773	5	ChEMBL_2376873	Inhibition of AXL (unknown origin) by FRET assay
50020773	6	ChEMBL_2376874	Inhibition of wild type FLT3 (unknown origin)
50020773	7	ChEMBL_2376875	Inhibition of N-terminal FLAG-His8-tagged human Wip1 (2 to 420 residues) expressed in bac-to-bac baculovirus expression system infected Sf9 cells
50020773	8	ChEMBL_2376876	Binding affinity to PAR2 (unknown origin) assessed as inhibition constant
50020773	9	ChEMBL_2376877	Antagonist activity at PAR2 (unknown origin)
50020773	10	ChEMBL_2376878	Inhibition of N-terminal Hexahistidine-GST-tagged human ATAD2 bromodomain expressed in Escherichia coli BL21 (DE3) Rosetta cells incubated for 1 hr by FRET analysis
50020773	11	ChEMBL_2376879	Inhibition of N-terminal 6xHis-tagged full length human wild type BTK (389 to 659 residues) expressed in baculovirus measured after 1 hr by TR-FRET analysis
50020774	1	ChEMBL_2376880	Inhibition of N-terminal human Hsp90-alpha ATP binding domain (2 to 236 residues) overexpressed in HEK293T cell lysate by fluorescence polarization assay
50020774	2	ChEMBL_2376889	Displacement of 2-[4-(2-Chloro-5-hydroxy-4-methoxy-phenyl)-5-cyano-7Hpyrrolo[2,3-d]pyrimidin-2-ylsulfanyl]-N-(2,2,2-trifluoroethyl)-acetamide spy ligand from N-terminal human Hsp90-alpha ATP binding domain (2 to 236 residues) overexpressed in HEK293T cells assessed as inhibition constant by real-time in-cell 19F NMR spectroscopy
50020776	1	ChEMBL_2376891	Inhibition of N-terminal GST-tagged recombinant human IRAK4 expressed in baculovirus infected Hi-5 cells using biotinylated-Ahx-KKARFSRFAGSSPSQASFAEPG peptide as substrate preincubated for 15 mins followed by substrate/ATP addition measured after 45 mins by TR-FRET assay
50020776	2	ChEMBL_2376907	Inhibition of N-terminal GST-tagged recombinant human FLT3 (564 to end residues) expressed in Sf21 cells using biotinylated-Ahx-GGEEEEYFELVKKKK peptide as substrate preincubated for 15 mins followed by substrate/ATP addition measured after 60 mins by TR-FRET assay
50020776	3	ChEMBL_2376908	Inhibition of N-terminal His6/GST-tagged recombinant human TrkA (443 to 796 residues) expressed in Sf9 cells using biotinylated-polyGlu,Tyr (4:1) copolymer as substrate preincubated for 15 mins followed by substrate/ATP addition measured after 45 mins by TR-FRET assay
50020777	1	ChEMBL_2377026	Inhibition of EZH2 (unknown origin)
50020777	2	ChEMBL_2377027	Inhibition of HSP90alpha (unknown origin)
50020778	1	ChEMBL_2377198	Displacement of fluorescent probe (R)-(+)-ethyl 5-amino2-methyl-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-ylcarbamate from calf brain tubulin colchicine binding site assessed as dissociation constant at 0.05 to 70 uM incubated for 30 mins by fluorescence based assay
50020779	1	ChEMBL_2377311	Inhibition of Nav1.8 in HEK293 cells under resting state
50020779	2	ChEMBL_2377312	Inhibition of Nav1.8 in HEK293 cells under half inaction state
50020780	1	ChEMBL_2377341	Inhibition of recombinant Cbl-b (unknown origin) in presence of ATP incubated for 60 mins by ELISA analysis
50020782	1	ChEMBL_2377390	Inhibition of PDI in human platelets assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis
50020782	2	ChEMBL_2377391	Inhibition of human recombinant PDI assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis
50020782	3	ChEMBL_2377424	Inhibition of human recombinant ERp57 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis
50020782	4	ChEMBL_2377425	Inhibition of human recombinant ERp72 assessed as inhibition of E-GSH formation using Di-E-GSSG as substrate measured for 60 mins in presence of DTT by fluorescence based analysis
50020782	5	ChEMBL_2377430	Covalent inhibition of PDI (unknown origin) by insulin aggregation assay
50020782	6	ChEMBL_2377431	Non-covalent inhibition of PDI (unknown origin) by insulin aggregation assay
50020782	7	ChEMBL_2377432	Covalent inhibition of PDI (unknown origin) by GSSG fluorescence assay
50020782	8	ChEMBL_2377433	Non-covalent inhibition of PDI (unknown origin) by GSSG fluorescence assay
50020783	1	ChEMBL_2377462	Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo4-AM dye based assay
50020783	2	ChEMBL_2377463	Antagonist activity at rat TRPA1 transfected in HEK293 cells assessed as desensitization by measuring inhibition of AITC induced increase in intracellular Ca2+ concentration preincubated for 5 mins followed by AITC stimulation by Fluo4-AM dye based assay
50020783	3	ChEMBL_2377464	Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibition of icilin induced increase in intracellular Ca2+ concentration preincubated for 5 mins followed by icilin stimulation by Fluo4-AM dye based assay
50020785	1	ChEMBL_2377546	Inhibition of N-terminal GST-tagged human JAK1 (850 to 1154 residues) expressed in Sf21 cells incubated for 30 mins in presence of ATP by LANCE Ultra assay
50020785	2	ChEMBL_2377547	Inhibition of N-terminal His-tagged human JAK2 (826 to 1132 residues) expressed in Sf21 cells incubated for 30 mins in presence of ATP by LANCE Ultra assay
50020785	3	ChEMBL_2377548	Inhibition of N-terminal His-tagged human JAK3 (795 to 1124 residues) expressed in Sf21 cells incubated for 30 mins in presence of ATP by LANCE Ultra assay
50020785	4	ChEMBL_2377549	Inhibition of N-terminal GST-tagged human TYK2 (871to 1187 residues) expressed in Sf21 cells incubated for 30 mins in presence of ATP by LANCE Ultra assay
50020786	1	ChEMBL_2377670	Inhibition of human PTP1B
50020786	2	ChEMBL_2377671	Inhibition of human CDC25B
50020786	3	ChEMBL_2377672	Inhibition of human LAR
50020786	4	ChEMBL_2377673	Inhibition of human PTPsigma
50020786	5	ChEMBL_2377674	Inhibition of human VHR
50020788	1	ChEMBL_2377707	Inhibition of human ATX by Amplex Red assay
50020789	1	ChEMBL_2377714	Inhibition of IDO1 in human BXPC-3 cells assessed as reduction in IFNgamma induced kynurenine level incubated for 48 hrs by LC-MS analysis
50020789	2	ChEMBL_2377718	Inhibition of IDO1 in human HeLa cells assessed as reduction in IFNgamma induced kynurenine level incubated for 48 hrs
50020789	3	ChEMBL_2377720	Inhibition of IDO1 in HEK293T cells assessed as reduction in kynurenine level incubated for 24 hrs
50020789	4	ChEMBL_2377726	Inhibition of IDO1 in human HCT-116 cells assessed as reduction in kynurenine level incubated for 48 hrs
50020789	5	ChEMBL_2377727	Inhibition of IDO1 in MTAP knockout human HCT-116 cells assessed as reduction in kynurenine level incubated for 48 hrs
50020789	6	ChEMBL_2377730	Inhibition of recombinant human sEH using fluorogenic PHOME as substrate measured after 10 sec by microplate reader analysis
50020789	7	ChEMBL_2377733	Displacement of tracer from NanoLuc fused sEH in HEK293T cells assessed as decrease in BRET ratio incubated for 5 hrs by NanoBRET assay
50020789	8	ChEMBL_2377735	Inhibition of sEH in IFNgamma induced human HAP1 cells assessed as reduction in kynurenine production
50020790	1	ChEMBL_2377739	Inhibition of PI3Kbeta (unknown origin) incubated for 20 mins in presence of gamma-32P-ATP by TLC analysis
50020790	2	ChEMBL_2377740	Inhibition of PI3Kalpha (unknown origin) incubated for 20 mins in presence of gamma-32P-ATP by TLC analysis
50020790	3	ChEMBL_2377741	Inhibition of wild type PI3Kalpha (unknown origin)
50020790	4	ChEMBL_2377742	Inhibition of PI3Kalpha H1047R mutant (unknown origin)
50020790	5	ChEMBL_2377743	Inhibition of recombinant N-terminal 6-His tagged full length human PI3Kalpha H1047R mutant using PIP2diC8 and PIP2:PS as substrate incubated for 1 hrs in presence of ATP by fluorescence based plate reader analysis
50020790	6	ChEMBL_2377748	Inhibition of AKT phosphorylation in human T47D cells harboring PI3Kalpha H1047R mutant incubated for 24 hrs by AlphaLISA assay
50020790	7	ChEMBL_2377749	Inhibition of AKT phosphorylation in human SK-BR-3 cells harboring wildtype PI3Kalpha incubated for 24 hrs by AlphaLISA assay
50020790	8	ChEMBL_2377779	Inhibition of PI3Kalpha H1047R mutant (unknown origin) using PI(4,5)P2:PS as substrate incubated in presence of ATP by ADP-Glo assay
50020791	1	ChEMBL_2377887	Inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using MCA-labeled substrate by FRET-based assay
50020791	2	ChEMBL_2377888	Inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using MCA-labeled substrate by FRET-based assay
50020791	3	ChEMBL_2377889	Inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using using Edans-labeled substrate by FRET-based assay
50020791	4	ChEMBL_2377890	Inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using Edans-labeled substrate by FRET-based assay
50020791	5	ChEMBL_2377891	Non-covalent inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using MCA-labeled substrate by FRET-based assay
50020791	6	ChEMBL_2377892	Non-covalent inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using MCA-labeled substrate by FRET-based assay
50020791	7	ChEMBL_2377893	Non-covalent inhibition of recombinant SARS-CoV-2 Native Main protease expressed in Escherichia coli using using Edans-labeled substrate by FRET-based assay
50020791	8	ChEMBL_2377894	Non-covalent inhibition of recombinant His-tagged SAR-CoV-2 Main protease expressed in Escherichia coli BL21/DE3 using Edans-labeled substrate by FRET-based assay
50020791	9	ChEMBL_2377896	Inhibition of SARS-CoV-2 Main protease
50020791	10	ChEMBL_2377897	Inhibition of SARS-CoV-2 Main protease by FRET assay
50020795	1	ChEMBL_2377932	Inhibition of mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current in absence of intracellular Mg2+ by whole cell patch clamp analysis
50020795	2	ChEMBL_2377933	Inhibition of mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current in presence of 300 uM free intracellular Mg2+ by whole cell patch clamp analysis
50020795	3	ChEMBL_2377934	Inhibition of mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current in presence of 780 uM free intracellular Mg2+ by whole cell patch clamp analysis
50020795	4	ChEMBL_2377935	Inhibition of human TRPM7 transfected in HEK293 cells assessed as inhibition of channel current by whole cell patch clamp analysis
50020795	5	ChEMBL_2377936	Inhibition of HA-tagged mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel current by whole cell patch clamp analysis
50020795	6	ChEMBL_2377937	Inhibition of mouse TRPM7 transfected in HEK293T cells assessed as inhibition of channel current in absence of intracellular Mg2+ by whole cell patch clamp analysis
50020795	7	ChEMBL_2377938	Inhibition of mouse TRPM7 expressed in HEK293 cells assessed as inhibition of channel current in presence of 700 uM intracellular Mg2+ by whole cell patch clamp analysis
50020795	8	ChEMBL_2377940	Inhibition of FLAG-tagged mouse TRPM7 transfected in HEK293 cells assessed as inhibition of channel-mediated Mn2+ influx incubated for ~15 mins and measured for 90 secs by Fura-2-dye based fluorescence analysis
50020795	9	ChEMBL_2377941	Inhibition of human TRPM7 transfected in Tet-inducible HEK293-T-REx cells assessed as inhibition of channel current in presence of 780 uM intracellular Mg2+ by whole cell patch clamp analysis
50020796	1	ChEMBL_2377956	Inhibition of PI3Kbeta (unknown origin)
50020797	1	ChEMBL_2377983	Agonist activity at TLR7 in human HEK-Blue hTLR7 cells assessed as activation of NF-kappaB incubated for 20 hrs by SEAP reporter gene based quanti-blue reagent spectrophotometric analysis
50020799	1	ChEMBL_2378059	Binding affinity to DFP-inhibited human erythrocyte AChE assessed as dissociation constant preincubated with DFP for 15 mins followed by compound and acetylthiocholine addition and measured every 5 to 10 mins for 120 mins by DTNB based Ellman's method
50020799	2	ChEMBL_2378060	Binding affinity to paraoxon-inhibited human erythrocyte AChE assessed as dissociation constant preincubated with paraoxon for 15 mins followed by compound and acetylthiocholine addition and measured every 5 to 10 mins for 120 mins by DTNB based Ellman's method
50020801	1	ChEMBL_2378121	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 24 hrs by HTRF assay
50020802	1	ChEMBL_2378133	Inhibition of N-terminal GST-fusion protein tagged full length human CK2alpha1 (1 to 391 residues) expressed in baculovirus expression system co-expressing human His-tagged CK2beta using CK2tide as substrate incubated for 1 hrs in presence of ATP by off-chip mobility shift assay
50020803	1	ChEMBL_2378134	Antagonist activity at PD-1/PD-L1 interaction (unknown origin)
50020803	2	ChEMBL_2378135	Antagonist activity at human PD-1/PD-L1 interaction measured after 1 hr by HTRF assay
50020804	1	ChEMBL_2378195	Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured every 30 secs for 10 mins by fluorescence based analysis
50020805	1	ChEMBL_2378205	Displacement of fluorochrome-tagged estrogen from human recombinant estrogen receptor-alpha incubated for 2 hr by competitive binding based microplate reader analysis
50020806	1	ChEMBL_2378260	Inhibition of human PD-L1 (18 to 134 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by spectrophometric analysis
50020806	2	ChEMBL_2378261	Inhibition of PD-L1 (unknown origin) by HTRF assay
50020806	3	ChEMBL_2378262	Inhibition of PD-1/PD-L1 interaction (unknown origin) by TR-FRET assay
50020806	4	ChEMBL_2378263	Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
50020806	5	ChEMBL_2378264	Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 1 hr by HTRF assay
50020806	6	ChEMBL_2378265	Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 2 hr by TR-FRET assay
50020806	7	ChEMBL_2378267	Inhibition of PD-1/PD-L1 (unknown origin) interaction
50020806	8	ChEMBL_2378268	Inhibition of human PD-L1/PD-L1 interaction incubated for 15 mins by TR-FRET assay
50020806	9	ChEMBL_2378269	Inhibition of human PD-1/PD-L1 interaction incubated for 24 hrs by HTRF assay
50020806	10	ChEMBL_2378271	Inhibition of human PD-L1 expressed in Escherichia coli BL21 (DE3) incubated for 1 hr by TR-FRET assay
50020806	11	ChEMBL_2378272	Inhibition of human PD-1/PD-L1 interaction overexpressed in human HEK293T cells by flow cytometry analysis
50020806	12	ChEMBL_2378273	Inhibition of PD-1 (unknown origin)/PD-L1 (unknown origin) interaction by HTRF binding assay
50020806	13	ChEMBL_2378274	Inhibition of PD-1/PD-L1 interaction (unknown origin) by AlphaLISA assay relative to control
50020806	14	ChEMBL_2378275	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
50020806	15	ChEMBL_2378276	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction
50020808	1	ChEMBL_2378277	Binding affinity to Amyloid beta (1 to 42) aggregates (unknown origin) assessed as fluorescent intensities measured after 30 mins by fluorescence spectrometry
50020808	2	ChEMBL_2378278	Binding affinity to Amyloid beta (1 to 42) aggregates (unknown origin)
50020810	1	ChEMBL_2378392	Inhibition of human VEGFR2 (unknown origin) incubated for 1 hrs in presence of ATP by ELISA assay
50020810	2	ChEMBL_2378393	Inhibition of recombinant human SRPK1
50020810	3	ChEMBL_2378395	Inhibition of His-tagged SPF45-UHM (unknown origin) (301 to 401 residues) expressed in Escherichia coli BL21 (DE3) cells by using biotinylated-RKSRWDETP as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by AlphaScreen assay
50020810	4	ChEMBL_2378396	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 24 hrs by HTRF assay
50020811	1	ChEMBL_2378398	Inhibition of his tagged SOS1/GST-tagged KRAS G12C mutant (unknown origin) protein-protein interaction incubated for 2 hrs by HTRF assay
50020811	2	ChEMBL_2378399	Inhibition of human SOS1 catalytic domain (560 to 1049 residues)/KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli incubated for 30 mins by HTRF assay
50020811	3	ChEMBL_2378400	Inhibition of SOS1/KRAS G12C mutant (unknown origin) protein-protein interaction
50020812	1	ChEMBL_2378491	Binding affinity to PKCdelta C1B domain (231 to 281 residues) (unknown origin) by 6-methoxynaphthalene DAG lactone probe based fluorescence quenching assay
50020814	1	ChEMBL_2378710	Displacement of [3H]-ketanserin from rat brain cortex 5-HT2A receptor incubated for 60 mins by liquid scintillation counting analysis
50020814	2	ChEMBL_2378712	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1 hr by TopCount liquid scintillation counting analysis
50020814	3	ChEMBL_2378715	Displacement of [3H]-raclopride from rat brain striatum dopamine D2 receptor incubated for 60 mins by liquid scintillation counting analysis
50020815	1	ChEMBL_2378831	Inhibition of bovine pancreatic alpha chymotrypsin using N-succinyl-Gly-Gly-Phe-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 30 mins
50020815	2	ChEMBL_2378833	Inhibition of SARS-CoV-2 3CLpro incubated for 4 hrs
50020816	1	ChEMBL_2378843	Inhibition of AChE (unknown origin) using ATCI as substrate preincubated for 15 min followed by substrate addition measured after 40 min by Ellman's method
50020816	2	ChEMBL_2378844	Inhibition of BChE (unknown origin) using BTCI as substrate preincubated for 15 min followed by substrate addition measured after 40 min by Ellman's method
50020816	3	ChEMBL_2378848	Inhibition of amyloid beta 42 (unknown origin) aggregation incubated for 24 hrs by ThT assay
50020817	1	ChEMBL_2378956	Agonist activity at SOS1 in human HeLa cells expressing wild type KRAS assessed as increase in p-ERK level incubated for 30 mins by Western blot analysis
50020817	2	ChEMBL_2378957	Inhibition of GST-tagged human KRAS G12C mutant expressed in Escherichia coli/His10-tagged human SOS1 catalytic domain expressed in Escherichia coli protein-protein interaction preincubated with KRAS for 2 mins followed by SOS1 addition and measured after 60 mins by HTRF based assay
50020818	1	ChEMBL_2378972	Binding affinity to human Gal-3 expressed in Escherichia coli BL21 (DE3) cells by competitive fluorescence polarization assay
50020818	2	ChEMBL_2378974	Binding affinity to C-terminal domain human Gal-8 expressed in Escherichia coli BL21 (DE3) cells by competitive fluorescence polarization assay
50020818	3	ChEMBL_2378976	Binding affinity to human Gal-1 expressed in Escherichia coli BL21 (DE3) by competitive fluorescence polarization assay
50020818	4	ChEMBL_2378977	Binding affinity to N-terminal domain human Gal-8 expressed in Escherichia coli BL21 (DE3) cells by competitive fluorescence polarization assay
50020818	5	ChEMBL_2378979	Binding affinity to human Gal-3 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry analysis
50020818	6	ChEMBL_2378980	Binding affinity to C-terminal domain human Gal-8 expressed in Escherichia coli BL21 (DE3) cells by isothermal titration calorimetry analysis
50020818	8	ChEMBL_2378990	Binding affinity to human Gal-1 expressed in Escherichia coli BL21star (DE3) by competitive fluorescence polarization assay
50020818	9	ChEMBL_2378991	Binding affinity to human Gal-3 expressed in Escherichia coli BL21star (DE3) cells by competitive fluorescence polarization assay
50020818	10	ChEMBL_2378992	Binding affinity to N-terminal domain human Gal-8 expressed in Escherichia coli BL21star (DE3) cells by competitive fluorescence polarization assay
50020819	1	ChEMBL_2379020	Antagonist activity at human P2X3 receptor transfected in CHO cells assessed as inhibition of alpha,beta-methylene ATP induced intracellular calcium level preincubated for 10 mins followed by alpha,beta-methylene ATP addition and measured immediately by bioluminescence based analysis
50020820	1	ChEMBL_2379023	Inhibition of SARS-CoV-1 papain-like protease
50020820	2	ChEMBL_2379024	Inhibition of SARS-CoV-2 papain-like protease
50020820	3	ChEMBL_2379025	Binding affinity to SARS-CoV-1 papain-like protease assessed as inhibition constant
50020822	1	ChEMBL_2379113	Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50020822	2	ChEMBL_2379114	Displacement of [3H]-NMSP from D2 receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50020823	1	ChEMBL_2379148	Inhibition of MAO-A (unknown origin)
50020823	2	ChEMBL_2379158	Inhibition of MAO-B (unknown origin)
50020826	1	ChEMBL_2379189	Inhibition of SLICK (unknown origin) expressed in HEK293 cells by thallium flux assay
50020827	1	ChEMBL_2379218	Inhibition of N-terminal His-tagged Zika virus NS2B protease (46 to 99 residues)/NS3 protease (1 to 187 residues) expressed in Escherichia coli Rosetta2(DE3) cells using Boc-Gly-Arg-Arg-AMC as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 10 mins by fluorescence based analysis
50020829	1	ChEMBL_2379315	Inhibition of Human Cytomegalovirus C-terminal UL89 phosphorylation using (5-tcggtgcgggcctcttcgctattacgccagctggcgaaagggggatgtgctgcaaggcga as a substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by plate reader endonuclease assay
50020829	2	ChEMBL_2379318	Inhibition of Hepatitis C virus NS5B polymerase
50020829	3	ChEMBL_2379319	Inhibition of HIV-1 integrase strand transfer activity
50020829	4	ChEMBL_2379320	Inhibition of human Cytomegalovirus C-terminal UL89
50020829	5	ChEMBL_2379323	Inhibition of HIV-1 reverse transcriptase
50020829	6	ChEMBL_2379324	Inhibition of HIV-1 integrase Q148K mutant
50020829	7	ChEMBL_2379326	Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase
50020829	8	ChEMBL_2379327	Inhibition of HIV-1 RNase H polymerase activity
50020829	9	ChEMBL_2379331	Inhibition of HIV-1 reverse transcriptase RNase H
50020829	10	ChEMBL_2379332	Inhibition of HIV-1 integrase G140S/Q148K double mutant
50020829	11	ChEMBL_2379334	Inhibition of HIV-1 integrase DTG-resistant R263K mutant
50020831	1	ChEMBL_2379337	Inhibition of Spns2 in human HeLa cells decrease in extracellular S1P level by LC/MS method
50020833	1	ChEMBL_2379346	Inhibition of N-terminal/C-terminal 6x His-tagged wild type recombinant mouse DHX33 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	2	ChEMBL_2379347	Binding affinity to N-terminal/C-terminal 6x His-tagged recombinant wild type mouse DHX33 transformed in Escherichia coli BL21(DE3)pLysS cells assessed as dissociation constant by ITC analysis
50020833	3	ChEMBL_2379349	Inhibition of C-terminal 6xHis-tagged human recombinant DDX59 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	4	ChEMBL_2379350	Inhibition of N-terminal thioredoxin-tagged human recombinant DHX32 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	5	ChEMBL_2379351	Inhibition of N-terminal thioredoxin-tagged human recombinant DDX6 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	6	ChEMBL_2379354	Inhibition of N-terminal thioredoxin-tagged human recombinant DHX35 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	7	ChEMBL_2379355	Inhibition of N-terminal thioredoxin-tagged human recombinant DHX15 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	8	ChEMBL_2379356	Inhibition of N-terminal thioredoxin-tagged human recombinant DHX40 transformed in Escherichia coli BL21(DE3)pLysS cells
50020833	9	ChEMBL_2379357	Inhibition of N-terminal thioredoxin-tagged human recombinant DDX21 transformed in Escherichia coli BL21(DE3)pLysS cells
50020834	1	ChEMBL_2379383	Inhibition of wild type FLT3 (unknown origin)
50020834	2	ChEMBL_2379384	Inhibition of FLT3 D835Y mutant (unknown origin)
50020835	1	ChEMBL_2379386	Agonist activity at NLRP3 in human THP-1 cells assessed as LPS-stimulated IL-18 release incubated for 24 hrs
50020835	2	ChEMBL_2379387	Agonist activity at NLRP3 in human THP-1 cells assessed as LPS-stimulated IL-1beta release incubated for 24 hrs
50020837	1	ChEMBL_2379408	Binding affinity to N-terminal His-tagged recombinant human AF9 YEATS domain (1 to 138 residues) expressed in Escherichia coli 2(DE3)pLysS cells assessed as dissociation constant by ITC assay
50020838	1	ChEMBL_2379432	Inhibition of full-length recombinant human C-terminal GST tagged HDAC1 expressed in Sf9 insect cells using aminoluciferin peptide substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins by HDAC-Glo I/II chemiluminescence assay
50020838	2	ChEMBL_2379433	Inhibition of full-length recombinant human C-terminal GST tagged HDAC2 expressed in Sf9 insect cells using aminoluciferin peptide substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins by HDAC-Glo I/II chemiluminescence assay
50020838	3	ChEMBL_2379434	Inhibition of recombinant human HDAC3/human GST-tagged NCOR1 (397 to 503 residues) using K(Ac)382 peptide substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins by HDAC-Glo I/II chemiluminescence assay
50020838	4	ChEMBL_2379436	Inhibition of full-length recombinant human C-terminal His-tagged HDAC8 expressed in Sf9 insect cells using aminoluciferin peptide substrate preincubated for 3 hrs followed by substrate addition and measured after 30 mins by HDAC-Glo I/II chemiluminescence assay
50020838	5	ChEMBL_2379442	Inhibition of full-length recombinant human C-terminal GST tagged HDAC2 expressed in Sf9 insect cells assessed as inhibition constant using Ac-LGK(Ac)-AMC substrate and measured for 60 mins at 2 mins interval by fluorescence analysis
50020839	1	ChEMBL_2379470	Inhibition of human ERalpha expressed in Saccharomyces cerevisiae co-expressing lacZ using CPRG as substrate incubated for 48 hrs by Colorimetric assay
50020839	2	ChEMBL_2379474	Inhibition of P-gp in human CEM cells incubated for 15 mins by calcein-AM efflux method
50020839	3	ChEMBL_2379476	Inhibition of ABCG2 (unknown origin)
50020839	4	ChEMBL_2379477	Inhibition of Topo IIalpha (unknown origin)
50020840	1	ChEMBL_2379496	Competitive binding affinity to recombinant alpha-synuclein (unknown origin) assessed as inhibition constant incubated for 0.5 hrs by ThT-based fluorescence microplate reader analysis
50020840	2	ChEMBL_2379497	Competitive binding affinity to amyloid beta (1 to 42) (unknown origin) assessed as inhibition constant incubated for 0.5 hrs by ThT-based fluorescence microplate reader analysis
50020841	1	ChEMBL_2379562	Inhibition of JAK2 (unknown origin) using Poly-(Glu,Tyr 4:1) peptide as substrate in presence of ATP by ADP-Glo reagent based assay
50020841	2	ChEMBL_2379563	Inhibition of JAK1 (unknown origin) using Poly-(Glu,Tyr 4:1) peptide as substrate in presence of ATP by ADP-Glo reagent based assay
50020841	3	ChEMBL_2379564	Inhibition of JAK3 (unknown origin) using Poly-(Glu,Tyr 4:1) peptide as substrate in presence of ATP by ADP-Glo reagent based assay
50020841	4	ChEMBL_2379617	Inhibition of porcine brain tubulin polymerization measured for 30 mins in presence of GTP by microplate reader assay
50020842	1	ChEMBL_2379675	Inhibition of COX1 (unknown origin) fluorescence based analysis
50020842	2	ChEMBL_2379679	Inhibition of N-terminal His6-tagged human recombinant GSK3beta expressed in baculovirus-infected Sf21 cells incubated for 60 mins in presence of ATP by ADP-glo analysis
50020842	3	ChEMBL_2379686	Inhibition of AChE (unknown origin)
50020842	4	ChEMBL_2379689	Inhibition of AChE (unknown origin) by Ellman's method
50020842	5	ChEMBL_2379690	Inhibition of butyrylcholinesterase (unknown origin)
50020842	6	ChEMBL_2379695	Inhibition of human recombinant acetylcholinesterase using acetylthiocholine as substrate by spectrophotometric analysis
50020842	7	ChEMBL_2379728	Inhibition of human AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's assay
50020842	8	ChEMBL_2379733	Inhibition of Acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate incubated for 20 mins by Ellaman's method
50020842	9	ChEMBL_2379736	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition and measured after 2 mins by fluorescence based analysis
50020842	10	ChEMBL_2379737	Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 15 mins by fluorescence based analysis
50020842	11	ChEMBL_2379738	Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr in the presence of ATP by FRET-based Z'-Lyte assay
50020842	12	ChEMBL_2379741	Inhibition of COX2 (unknown origin) fluorescence based analysis
50020842	13	ChEMBL_2379744	Inhibition of ROCK1 (unknown origin) incubated for 1 hr by FRET based Z'-lyte assay
50020842	14	ChEMBL_2379745	Inhibition of ROCK2 (unknown origin) incubated for 1 hr by FRET based Z'lyte assay
50020842	15	ChEMBL_2379753	Inhibition of N-terminal full length human recombinant CDK5/p25 expressed in baculovirus-infected Sf21 cells incubated for 60 mins in presence of ATP by kinase-glo luminescent assay
50020842	16	ChEMBL_2379754	Inhibition of N-terminal GST-tagged human recombinant CK1delta (1 to 294 residues) expressed in Escherichia coli incubated for 60 mins in presence of ATP by Kinase-glo luminescent assay
50020842	17	ChEMBL_2379757	Binding affinity to DOR (unknown origin) assessed as inhibition constant
50020842	18	ChEMBL_2379758	Binding affinity to alpha2B receptor (unknown origin) assessed as inhibition constant
50020843	1	ChEMBL_2379763	Inhibition of PDE11A (unknown origin)
50020843	2	ChEMBL_2379771	Inhibition of N-terminal GST-tagged human recombinant PDE11A4 (1 to 943 residues) expressed in Sf9 insect cells using cAMP as substrate
50020843	3	ChEMBL_2379787	Inhibition of PDE11A4 in mouse HT-22 cells assessed as reduction in cAMP hydrolytic activity using [3H]-cAMP as substrate pretreated with compound for 1 hr followed by substrate addition and measured after 10 mins by liquid scintillation counter analysis
50020843	4	ChEMBL_2379788	Inhibition of PDE11A4 in mouse HT-22 cells assessed as reduction in cGMP hydrolytic activity using [3H]-cGMP as substrate pretreated with compound for 1 hr followed by substrate addition and measured after 10 mins by liquid scintillation counter analysis
50020846	1	ChEMBL_2379850	Inhibition of PAK4 (unknown origin) using lipid substrate incubated for 40 mins in presence of ATP by ADP-Glo plus luminescence kinase assay
50020846	2	ChEMBL_2379851	Inhibition of recombinant human N-terminal 6His-tagged PAK4 kinase domain (300 to 591 residues) incubated in presence of ATP
50020846	3	ChEMBL_2379852	Inhibition of PAK4 (unknown origin) using S2 substrate incubated for 60 mins in presence of ATP by HTRF assay
50020846	4	ChEMBL_2379855	Inhibition of PAK4 (unknown origin)
50020847	1	ChEMBL_2379857	Inhibition of STING in human THP1-Dual KI-hSTING-R232 cells assessed as cGAMP-induced IRF luciferase expression incubated for 2 hrs by QUANTI-Luc reagent based luciferase reporter assay
50020848	1	ChEMBL_2379883	Inhibition of SARS-Cov-2 Main protease by FRET assay
50020848	2	ChEMBL_2379884	Inhibition of human Cathepsin K
50020849	1	ChEMBL_2379887	Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction in N-formyl kynurenine formation by measuring inhibition constant by UV-visible spectroscopic analysis
50020849	2	ChEMBL_2379888	Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction in N-formyl kynurenine formation by UV-visible spectroscopic analysis
50020850	1	ChEMBL_2379900	Inhibition of CDK9/Cyclin-T1 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020850	2	ChEMBL_2379901	Inhibition of CDK2/Cyclin A2 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020851	1	ChEMBL_2380017	Inhibition of human DHODH using DHO and CoQ10 as substrate preincubated for 30 mins in presence of CoQ10 followed by DHO substrate addition and measured for 10 mins by DCIP dye based spectrophotometric analysis
50020852	1	ChEMBL_2380130	Inhibition of Mycobacterium tuberculosis H37Rv ATP synthase by luminometer analysis
50020853	1	ChEMBL_2380146	Inhibition of HIV-1 RNase H using 5'-GAUCUGAGCCUGGGAGCU-3'-FAM RNA/BHQ-5'-AGCTCCCAGGCTCAGATC-3' DNA as substrate measured after 60 mins by FRET analysis
50020853	2	ChEMBL_2380150	Inhibition of HIV-1 RNase H activity
50020853	3	ChEMBL_2380151	Competitive inhibition of DNMT1 (unknown origin)
50020855	1	ChEMBL_2380153	Inhibition of full-length 6His/GST-tagged recombinant human CDC25B using OMFP as substrate incubated for 60 mins by fluorescence based analysis
50020855	2	ChEMBL_2380154	Inhibition of human recombinant PTP1B using OMFP as substrate incubated for 60 mins by fluorescence based analysis
50020855	3	ChEMBL_2380158	Inhibition of 6His-tagged recombinant MKP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using OMFP as substrate incubated for 60 mins by HTS assay
50020855	4	ChEMBL_2380159	Inhibition of HEPTP (unknown origin) using pNPP as substrate by high-throughput screening assay
50020855	5	ChEMBL_2380160	Inhibition of GST-tagged recombinant PLK1 (unknown origin) using 5-carboxyfluorescein-KKRNRRLSVA-OH peptide as substrate incubated for 3 hrs in presence of ATP by HTS TR-FRET assay
50020855	6	ChEMBL_2380161	Inhibition of GST-fused pig DGK alpha expressed in Sf9 insect cells incubated for 2 hrs by HTS ADP-Glo DGK assay
50020855	7	ChEMBL_2380162	Inhibition of human FPR expressed in human U-937 cells by fluorescence based ligand binding assay
50020855	8	ChEMBL_2380164	Binding affinity to His-tagged murine Shank3 PDZ domain assessed as inhibition constant by fluorescence polarization assay
50020855	9	ChEMBL_2380165	Inhibition of recombinant full-length PRC2 catalytic core EZH2 Y641F mutant (unknown origin) using H3 (1-50) K27 Me1 biotin peptide as substrate incubated for 4 hrs by HTRF assay
50020855	10	ChEMBL_2380167	Inhibition of recombinant N-terminal 6-His tagged Escherichia coli DAM using ODN1 and ODN2 as substrate incubated for 20 mins in presence of S-adenosyl-L-methionine by high-throughput FRET assay
50020855	11	ChEMBL_2380171	Inhibition of Mycobacterium tuberculosis GlmU incubated for 30 mins by DTNB colorimetric assay
50020857	1	ChEMBL_2380180	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production measured after 1 hrs in presence of ATP
50020857	2	ChEMBL_2380181	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production by ELISA
50020857	3	ChEMBL_2380182	Inhibition of NLRP3 in human Whole blood cell assessed as reduction in IL-1beta production incubated for overnight in presence of ATP by ELISA
50020857	4	ChEMBL_2380183	Inhibition of NLRP3 in mouse BMDM cells assessed as reduction in IL-1beta production preincubated for 30 mins followed by ATP addition measured after 45 mins by ELISA assay
50020857	5	ChEMBL_2380184	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production
50020857	6	ChEMBL_2380185	Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta production
50020857	7	ChEMBL_2380186	Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta production measured after 18 hrs by HTRF assay
50020857	8	ChEMBL_2380187	Antagonist activity at NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 1 hrs followed by ATP addition measured after 18 hrs
50020857	9	ChEMBL_2380188	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production measured after 3 hrs
50020857	10	ChEMBL_2380189	Inhibition of NLRP3 in mouse BMDM cells assessed as reduction in IL-1beta production measured after 3 hrs
50020857	11	ChEMBL_2380190	Inhibition of NLRP3 in human PBMC cells assessed as reduction in IL-1beta production measured after 3 hrs
50020857	12	ChEMBL_2380191	Inhibition of NLRP3 in human MDM cells assessed as reduction in IL-1beta production measured after 3 hrs by AlphaLISA assay
50020857	13	ChEMBL_2380192	Inhibition of NLRP3 in LPS induced mouse BV-2 cells assessed as reduction in IL-1beta production pretreated for 30 mins followed by nigericin addition measured after 2 hrs by ELISA assay
50020857	14	ChEMBL_2380193	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production measured after 3 hrs by AlphaLISA assay
50020857	15	ChEMBL_2380194	Inhibition of NLRP3 in LPS induced human PBMC cells assessed as reduction in IL-1beta preincubated for 30 mins followed by ATP addition measured after 1 hrs HTRF assay
50020857	16	ChEMBL_2380196	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production pre incubated for 3 hrs followed by nigericin addition measured after 1 hrs by resazurin staining based assay
50020857	17	ChEMBL_2380197	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 1 hrs followed by ATP addition measured after 18 hrs
50020857	18	ChEMBL_2380198	Inhibition of NLRP3 in mouse BMDM cells assessed as reduction in IL-1beta production
50020857	19	ChEMBL_2380199	Inhibition of NLRP3 in LPS induced human Whole blood cell assessed as reduction in IL-1beta production preincubated for 3 hrs followed by nigericin measured after 1 hrs by resazurin staining based assay
50020857	20	ChEMBL_2380200	Inhibition of NLRP3 in mouse BMDM assessed as reduction in IL-1beta production preincubated for 3 hrs followed by ATP measured after 45 mins by ELISA assay
50020857	21	ChEMBL_2380201	Inhibition of NLR3 in human Whole blood cell assessed as reduction in IL-1beta production preincubated for 0.5 hrs followed by LPS treatement for 3.5 hrs and further addition of ATP measured after 45 mins by ELISA assay
50020857	22	ChEMBL_2380202	Inhibition of NLRP3 in LPS induced human THP-1 cells assessed as reduction in IL-1beta production preincubated for 3 hrs followed by nigericin addition measured after 1 hrs by resazurin staining based assay
50020857	23	ChEMBL_2380203	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 30 mins followed by ATP addition measured after 1 hrs by resazurin staining based assay
50020857	24	ChEMBL_2380204	Inhibition of NLRP3 in human PBMC cells assessed as reduction in IL-1beta production incubated overnight by HTRF assay
50020857	25	ChEMBL_2380205	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production by AlphaLISA assay
50020857	26	ChEMBL_2380208	Inhibition of NLRP3 (unknown origin) assessed as reduction of IL-1beta production
50020857	27	ChEMBL_2380210	Inhibition of NLRP3 in LPS/nigericin induced PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta production measured after 3 hrs
50020857	28	ChEMBL_2380211	Inhibition of NLRP3 in LPS/nigericin induced PMA-differentiated human THP-1 cells assessed as reduction in TNFalpha level measured after 3 hrs
50020857	29	ChEMBL_2380212	Inhibition of NLRP3 in human PBMC cells assessed as reduction in IL-1beta production preincubated for 30 mins followed by LPS addition measured after 6 hrs
50020857	30	ChEMBL_2380213	Inhibition of NLRP3 in human PBMC cells assessed as reduction in TNF alpha level preincubated for 30 mins followed by LPS addition measured after 6 hrs
50020857	31	ChEMBL_2380214	Inhibition of NLRP3 in human PBMC cells assessed as reduction in Il-1beta production preincubated for 0.5 hrs followed by LPS treatment for 3.5 hrs and further addition of ATP measured after 45 mins
50020857	32	ChEMBL_2380215	Inhibition of NLRP3 in human PBMC cells assessed as reduction in TNFalpha level preincubated for 0.5 hrs followed by LPS treatment for 3.5 hrs and further addition of ATP measured after 45 mins
50020857	33	ChEMBL_2380216	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production measured after 1 hrs by ELISA assay
50020857	34	ChEMBL_2380217	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 15 mins followed by ATP/LPS addition measured after 2 hrs by ELISA assay
50020857	35	ChEMBL_2380218	Inhibition of NLRP3 in human PBMC cells assessed as reduction in IL-1beta production preincubated for 30 mins followed by ATP/LPS addition measured after 1 hrs
50020857	36	ChEMBL_2380219	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 1 hrs followed by nigericin addition measured after 30 mins by ELISA assay
50020857	37	ChEMBL_2380220	Inhibition of NLRP3 in human Whole blood cell assessed as reduction in IL-1beta production
50020857	38	ChEMBL_2380221	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in IL-1beta production preincubated for 1 hrs followed by nigericin addition measured after 3 hrs by HTRF assay
50020857	39	ChEMBL_2380223	Inhibition of NLRP3 in LPS induced mouse BMDM cells assessed as reduction in IL-1beta production measured after 30 mins by ELISA assay
50020857	40	ChEMBL_2380224	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in caspase 1 level
50020857	41	ChEMBL_2380228	Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction of IL-1beta production
50020857	42	ChEMBL_2380229	Inhibition of NLRP3 in human PBMC cells assessed as reduction in IL-1beta production
50020857	43	ChEMBL_2380231	Binding affinity to GFP-flag-tagged human NLRP3 transfected in HEK293T cells assessed as equilibrium dissociation constant measured after 40 mins by MST assay
50020858	1	ChEMBL_2380235	Binding affinity to human recombinant CA1 assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50020858	2	ChEMBL_2380236	Binding affinity to human recombinant CA2 assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50020858	3	ChEMBL_2380237	Binding affinity to human recombinant CA9 assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50020858	4	ChEMBL_2380238	Binding affinity to human recombinant CA12 assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50020859	1	ChEMBL_2380280	Inhibition of XO (unknown origin)
50020859	2	ChEMBL_2380281	Inhibition of XO (unknown origin) using xanthine as substrate assessed as reduction in uric acid formation preincubated for 10 mins followed by substrate addition by spectrophotometric analysis
50020859	3	ChEMBL_2380282	Inhibition of XO (unknown origin) using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric analysis
50020859	4	ChEMBL_2380283	Inhibition of XO (unknown origin) using xanthine as substrate assessed as reduction in uric acid formation by FluoSTAR OPTIMA plate reader analysis
50020859	5	ChEMBL_2380284	Inhibition of XO (unknown origin) using xanthine as substrate assessed as reduction in uric acid formation by double beam spectrophotometric analysis
50020859	6	ChEMBL_2380285	Inhibition of XO (unknown origin) using xanthine as substrate incubated for 5 min
50020859	7	ChEMBL_2380286	Inhibition of XO (unknown origin) by microtitre plate analysis
50020859	8	ChEMBL_2380287	Inhibition of Bovine milk xanthine oxidase using xanthine as substrate assessed as decrease in uric acid level preincubated for 5 mins followed by substrate addition by spectrophotometric analysis
50020859	9	ChEMBL_2380288	Inhibition of URAT1 (unknown origin) stably expressed in HEK293 cells assessed as reduction of uric acid uptake measured after 48 hrs
50020860	1	ChEMBL_2380289	Binding affinity to full length human VDR by Competitive binding assay
50020861	1	ChEMBL_2380303	Binding affinity to RXRalpha-LBD (unknown origin) assessed as dissociation constant by FRET assay
50020861	2	ChEMBL_2380304	Binding affinity to RXRalpha-LBP (unknown origin) assessed as dissociation constant by FRET assay
50020862	1	ChEMBL_2380310	Agonist activity at human Nur77 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	2	ChEMBL_2380311	Inverse agonist activity at human Nur77 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	3	ChEMBL_2380312	Agonist activity at human Nurr1 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	4	ChEMBL_2380314	Inverse agonist activity at human Nurr1 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	5	ChEMBL_2380316	Agonist activity at human NOR-1 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	6	ChEMBL_2380318	Inverse agonist activity at human NOR-1 LBD transiently transfected in HEK293T cells incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	7	ChEMBL_2380321	Binding affinity to recombinant N-terminal 6His-tagged Nurr1 LBD (362 to 598 residues) (unknown origin) expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells assessed as dissociation constant at 100 uM by ITC analysis
50020862	8	ChEMBL_2380357	Agonist activity at full length human Nurr1 transiently transfected in HEK293T cells co-transfected with pFR-Luc-NBRE incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	9	ChEMBL_2380358	Agonist activity at full length human Nurr1 transiently transfected in HEK293T cells co-transfected with pFR-Luc-NurRE incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020862	10	ChEMBL_2380359	Agonist activity at full length human Nurr1 transiently transfected in HEK293T cells co-transfected with pFR-Luc-DR5 incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50020863	1	ChEMBL_2380366	Inhibition of recombinant human GTP-bound KRAS wild type (1 to 169 residues) incubated for 1 hr by HTRF assay
50020864	1	ChEMBL_2380464	Inhibition of COX-2 (unknown origin)
50020864	2	ChEMBL_2380465	Inhibition of IL-5 (unknown origin)
50020865	1	ChEMBL_2380513	Inhibition of human adenylate cyclase 2 expressed in ACdelta 3/6 knockout HEK293 cells assessed as cyclic AMP accumulation incubated for 30 min followed by FSK stimulation by HTR-FRET assay
50020865	2	ChEMBL_2380515	Inhibition of Bacillus anthracis Edema factor
50020866	1	ChEMBL_2380612	Inhibition of wild type human EGFR assessed as dissociation constant by KINOMEScan assay
50020866	2	ChEMBL_2380613	Inhibition of human ERBB2 assessed as dissociation constant by KINOMEScan assay
50020867	1	ChEMBL_2380660	Displacement of 12G5 mAb from CXCR4 in human SUP-T1 cells incubated for 2 hrs by flow cytometry analysis
50020867	2	ChEMBL_2380668	Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media by flow cytometry based competitive analysis
50020867	3	ChEMBL_2380669	Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 2 hrs by flow cytometry based competitive analysis
50020867	4	ChEMBL_2380670	Displacement of 12G5 antibody from CXCR4 in human SUP-T1 cells in presence of human plasma media incubated for 8 hrs by flow cytometry based competitive analysis
50020868	1	ChEMBL_2380722	Inhibition of ROCK2 (unknown origin) by HTRF assay
50020868	2	ChEMBL_2380726	Inhibition of ROCK2 (unknown origin)
50020868	3	ChEMBL_2380727	Inhibition of ROCK1 (unknown origin)
50020868	4	ChEMBL_2380728	Inhibition of ROCK2 (unknown origin) using FITC-AHA- AKRRRLSSLRA-OH as substrate in presence of ATP
50020868	5	ChEMBL_2380729	Inhibition of ROCK1 (unknown origin) using FITC-AHA- AKRRRLSSLRA-OH as substrate in presence of ATP
50020868	6	ChEMBL_2380730	Inhibition of GST-tagged recombinant human ROCK2 catalytic domain expressed in insect cells using KKRPQRRYSNVF peptide as substrate incubated for 1 hr in presence of ATP by fluorescence based assay
50020868	7	ChEMBL_2380731	Inhibition of GST-tagged recombinant human ROCK1 (1 to 535 residues) expressed in insect cells using KKRPQRRYSNVF peptide as substrate incubated for 1 hr in presence of ATP by fluorescence based assay
50020868	8	ChEMBL_2380732	Inhibition of ROCK1 (unknown origin) by HTRF assay
50020869	1	ChEMBL_2380837	Binding affinity to human PTPN2 (1 to 288 residues) using pNPP as substrate assessed as inhibition constant by absorbance based assay
50020869	2	ChEMBL_2380838	Inhibition of PTPN2 (unknown origin) using pNPP as substrate by spectrophotometric analysis
50020869	3	ChEMBL_2380839	Inhibition of PTP1B (unknown origin) using pNPP as substrate by spectrophotometric analysis
50020869	4	ChEMBL_2380840	Inhibition of PTP1B (unknown origin)
50020869	5	ChEMBL_2380841	Inhibition of 6xHis-tagged PTP1B (unknown origin) Escherichia coli BL21 (DE3)-RIL using OMFP as substrate incubated for 30 mins by fluorescence based assay
50020869	6	ChEMBL_2380842	Inhibition of PTPN2 (unknown origin) using DiFMUP as substrate by absorbance based assay
50020869	7	ChEMBL_2380843	Inhibition of PTP1B (unknown origin) using DiFMUP as substrate by absorbance based assay
50020872	1	ChEMBL_2380973	Inhibition of human recombinant G9a (785 to 1210 residues) using Histone H3 and SAM as substrate incubated for 2 hrs by chemiluminescence analysis
50020872	2	ChEMBL_2380974	Inhibition of G9a (unknown origin)
50020872	3	ChEMBL_2380982	Inhibition of N-terminal GST-tagged human recombinant G9a (785 to 1210 residues) expressed in baculovirus-infected Sf9 cells using biotinylated histone H3 peptide substrate incubated for 2 hrs by AlphaLISA assay
50020873	1	ChEMBL_2380983	Inhibition of SARS-CoV-2 3CL protease using SEQ peptide as substrate pre-incubated for 30 min followed by substrate addition measured after 4 hrs by FRET assay
50020874	1	ChEMBL_2380985	Binding affinity to recombinant SARS-CoV-2 Nsp9 assessed as dissociation constant by Mass spectrometry analysis
50020877	1	ChEMBL_2381017	Inhibition of Saccharomyces cerevisiae alpha glucosidase using p-nitrophenol alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured at every 30 sec for 35 mins by microplate photometer analysis
50020878	1	ChEMBL_2381114	Inhibition of recombinant 17beta-HSD10 (unknown origin) using E2 as substrate and NAD+ as cofactor preincubated for 5 mins followed by substrate addition and measured after 20 mins by fluorometric assay
50020878	2	ChEMBL_2381115	Inhibition of recombinant 17beta-HSD10 (unknown origin) using ALLOP as substrate and NAD+ as cofactor preincubated for 5 mins followed by substrate addition and measured after 20 mins by fluorometric assay
50020878	3	ChEMBL_2381116	Mixed type inhibition of recombinant 17beta-HSD10 (unknown origin) using E2 as substrate and NAD+ as cofactor preincubated for 5 mins followed by substrate addition and measured after 20 mins by fluorometric assay
50020878	4	ChEMBL_2381121	Inhibition of 17beta-HSD10 (unknown origin) expressed in HEK293 cells using (-)-CHANA probe as substrate assessed as decrease in fluorescence intensity of CHANK production preincubated for 20 hrs followed by probe addition and measured after 2 hrs by fluorescence based analysis
50020880	1	ChEMBL_2381124	Activation of Nrf2 in human PathHunter U2OS Keap1-Nrf2 cells assessed as Nrf2 nuclear translocation by chemiluminescent assay
50020881	1	ChEMBL_2381180	Inhibition of IP6K1 (unknown origin) incubated for 30 min in presence of ATP by ADPGlo reagent based assay
50020881	2	ChEMBL_2381181	Inhibition of IP6K2 (unknown origin) incubated for 2 hrs in presence of ATP by ADPGlo reagent based assay
50020881	3	ChEMBL_2381182	Inhibition of IP6K3 (unknown origin) incubated for 2 hrs in presence of ATP by ADPGlo reagent based assay
50020882	1	ChEMBL_2381185	Displacement of biotinylated RBN011147 probe from PARP7 (unknown origin) preincubated for 1 hr followed by incubation with probe for 1.5 hrs by MSD electrochemiluminescent assay
50020883	1	ChEMBL_2381187	Inhibition of MAT2A (unknown origin) using L-methionine as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by colorimetric assay
50020884	1	ChEMBL_2381214	Inhibition of human recombinant KDM5B assessed as decarboxylation of [1-14C] alphaKG by measuring 14CO2 release using H3K4me3 as substrate incubated for 1 hr
50020884	2	ChEMBL_2381215	Inhibition of human recombinant KDM4A assessed as decarboxylation of [1-14C] alphaKG at pH 7.4 using H3K9me3 as substrates incubated for 1 hr
50020885	1	ChEMBL_2381216	Displacement of Ac-DKSDLKAELERKK-C(BODIPY-FL-M)-RLAQIREEKKRKEE-NH2 peptide probe from TRIM58 (279 to 466 residue) (unknown origin) preincubated for 30 mins followed by probe addition by fluorescence polarization method
50020885	2	ChEMBL_2381220	Binding affinity against N-terminal 6His-tagged TRIM58 (251 to 466 residue) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR assay
50020887	1	ChEMBL_2381348	Inhibition of human recombinant HDAC in human MM.1S cells using Boc-Lys(Epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measured after 3 hrs by microplate reader analysis
50020887	2	ChEMBL_2381350	Inhibition of C-terminal 6His tagged human recombinant full length HDAC1 (1 to 482 residues) using Z- Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins followed by trypsin addition and measured after 30 min by microplate reader analysis
50020887	3	ChEMBL_2381351	Inhibition of C-terminal flag tagged human recombinant full length HDAC2 (1 to 488 residues) using Z- Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins followed by trypsin addition and measured after 30 min by microplate reader analysis
50020887	4	ChEMBL_2381352	Inhibition of C-terminal GST tagged human recombinant full length HDAC6 (1 to 1215 residues) using Z- Lys(Ac)-AMC as fluorogenic substrate incubated for 90 mins followed by trypsin addition and measured after 30 min by microplate reader analysis
50020888	1	ChEMBL_2381387	Inhibition of Escherichia coli DNA gyrase incubated for 80 mins by Transcreener ADP2 FI assay
50020890	1	ChEMBL_2381439	Binding affinity to TSPO (unknown origin)
50020890	2	ChEMBL_2381441	Binding affinity to alpha2A adrenergic receptor (unknown origin)
50020890	3	ChEMBL_2381442	Binding affinity to alpha2B adrenergic receptor (unknown origin)
50020890	4	ChEMBL_2381443	Binding affinity to sigma 1 receptor (unknown origin)
50020890	5	ChEMBL_2381444	Binding affinity to sigma 2 receptor (unknown origin)
50020890	6	ChEMBL_2381445	Binding affinity to beta3 adrenergic receptor (unknown origin)
50020890	7	ChEMBL_2381446	Binding affinity to 5HT-7A receptor (unknown origin)
50020892	1	ChEMBL_2381449	Inhibition of GCS activity in human A-375 cells using C6 ceramide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 20 hrs by UDP-Glo based luminometric analysis
50020893	1	ChEMBL_2381450	Inhibition of recombinant Cbl-b (unknown origin) mediated ZAP70 ubiquitination incubated for 60 mins by TR-FRET assay
50020893	2	ChEMBL_2381451	Displacement of FAM-labeled probe from recombinant biotinylated Cbl-b (unknown origin) expressed in Escherichia coli BL21(DE3) Tuner cells by TR-FRET assay
50020893	3	ChEMBL_2381453	Binding affinity to avidin-biotinylated Cbl-b at (36 to 427 residues) (unknown origin) assessed as dissociation constant by SPR analysis
50020893	4	ChEMBL_2381454	Inhibition of Cbl-b in cryo-preserved human CD3-positive T cells assessed as increase in IL-2 production preincubated for 1 hr followed by alpha-CD3 coated stimulation for 24 hrs by flow cytometry method
50020893	5	ChEMBL_2381457	Inhibition of recombinant Cbl-b (unknown origin) ubiquitination incubated for 60 mins in presence of ATP by TR-FRET assay
50020894	1	ChEMBL_2381470	Allosteric inhibition of recombinant full length 6His-tagged SHP2 (2 to 527 residues) (unknown origin) expressed in Escherichia coli using DiFMUP as substrate incubated for 15 mins by microplate reader analysis
50020894	2	ChEMBL_2381471	Inhibition of ERK1/2 phosphorylation at Thr202/Tyr204 residues in human KYSE520 cells incubated for 1 hrs by Western blot analysis
50020895	1	ChEMBL_2381493	Inhibition of recombinant human full length his-tagged IRAK4 expressed in insect cells using KKARFSRFAGSSPSQSSMVAR as peptide substrate preincubated for 15 mins followed by substrate addition and measured after 2 hrs in presence of ATP by LC-MS/MS analysis
50020899	1	ChEMBL_2422120	Inhibition of full length recombinant IGF2BP1 (unknown origin) by fluorescence polarization assay
50020899	2	ChEMBL_2422121	Binding affinity to recombinant full-length human IGF2BP1 (unknown origin) assessed as dissociation constant by MST assay
50020899	3	ChEMBL_2422123	Binding affinity to IGF2BP1 (unknown origin) assessed as dissociation constant by MST assay
50020899	4	ChEMBL_2422125	Binding affinity to human recombinant IGF2BP1 assessed as dissociation constant by SPR analysis
50020899	5	ChEMBL_2422126	Binding affinity to Histidine-tagged IMP-2 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020899	6	ChEMBL_2422127	Binding affinity to full length IGF2BP2 (unknown origin) assessed as dissociation constant
50020900	1	ChEMBL_2422153	Agonist activity at human PPAR alpha by luciferase reporter gene assay
50020900	2	ChEMBL_2422154	Agonist activity at human PPAR gamma by luciferase reporter gene assay
50020900	3	ChEMBL_2422155	Agonist activity at human PPAR delta by luciferase reporter gene assay
50020900	4	ChEMBL_2422156	Agonist activity at human PPAR gamma
50020901	1	ChEMBL_2422293	Inhibition of HPK1 (unknown origin) using His-tagged SLP-76 as substrate preincubated for 30 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50020901	2	ChEMBL_2422294	Inhibition of N-terminal nanoluc-fused HPK1 (unknown origin) expressed in HEK293T cells preincubated for 2 hrs in presence of cell permeable fluorescent probe 5 followed by substrate addition and measured after 5 mins by Nano-BRET assay
50020901	3	ChEMBL_2422302	Inhibition of HPK1 (unknown origin) by ADP-Glo assay
50020901	4	ChEMBL_2422303	Inhibition of GLK (unknown origin) by ADP-Glo assay
50020901	5	ChEMBL_2422305	Inhibition of HPK1 in human PBMC cells assessed as inhibition of SLP76 phosphorylation pretreated for 1 hr followed by anti-CD3/CD28 addition and measured after 1 hr by Western blot analysis
50020901	6	ChEMBL_2422306	Inhibition of HPK1 in human Jurkat cells assessed as inhibition of SLP76 phosphorylation pretreated for 1 hr followed by anti-CD3/CD28 addition and measured after 1 hr by Western blot analysis
50020901	7	ChEMBL_2422321	Inhibition of HPK1 (unknown origin)
50020901	8	ChEMBL_2422322	Inhibition of HPK1 (unknown origin) assessed as inhibition of SLP76 phosphorylation
50020902	1	ChEMBL_2422325	Binding affinity to RIP1 (unknown origin) assessed as dissociation constant by KINOMEscan assay
50020902	2	ChEMBL_2422326	Binding affinity to RIP3 (unknown origin) assessed as dissociation constant by KINOMEscan assay
50020903	1	ChEMBL_2422364	Inhibition of recombinant SIRT2 (unknown origin) deacetylase activity using Ac-RHKK(Ac)-MCA as substrate incubated for 60 mins in presence of NAD by fluorogenic assay
50020903	2	ChEMBL_2422378	Inhibition of human SIRT2 (25 to 389 residues) expressed in Escherichia coli BL21(DE3)Codonplus RIPL cells using Z-Lys(Acetyl)-AMC as substrate incubated for 4 hrs in presence of beta-NAD+ by high-throughput fluorescence based assay
50020904	1	ChEMBL_2422402	Inhibition of human recombinant p38alpha expressed in Escherichia coli incubated for 60 mins in presence of ATP by microplate scintillation counter
50020904	2	ChEMBL_2422403	Inhibition of human recombinant GST-tagged ALK5 expressed in baculovirus infected Sf9 insect cells incubated for 60 mins in presence of ATP by microplate scintillation counter
50020904	3	ChEMBL_2422432	Inhibition of ALK5 (unknown origin)
50020904	4	ChEMBL_2422433	Inhibition of N-terminal GST-tagged ALK5 (unknown origin) expressed in baculovirus expression system using GST-tagged Smad3 as substrate assessed as reduction in substrate phosphorylation
50020904	5	ChEMBL_2422434	Inhibition of ALK5 (unknown origin) kinase domain by biochemical binding assay
50020905	1	ChEMBL_2422435	Agonist activity at human PPARalpha transfected in African green monkey COS-7 cells co-transfected with pGL4.35 and pBIND reporter gene plasmid assessed as receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50020905	2	ChEMBL_2422437	Agonist activity at human PPARdelta transfected in African green monkey COS-7 cells co-transfected with pGL4.35 and pBIND reporter gene plasmid assessed as receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50020905	3	ChEMBL_2422439	Agonist activity at human PPARgamma transfected in African green monkey COS-7 cells co-transfected with pGL4.35 and pBIND reporter gene plasmid assessed as receptor transactivation incubated for 16 hrs by luciferase reporter gene assay
50020908	1	ChEMBL_2422561	Inhibition of CHK1 (unknown origin) preincubated with compound for 10 mins followed by ATP addition and measured after 50 mins by fluorescence based microtiter-plate reader analysis
50020908	2	ChEMBL_2422565	Inhibition of CHK1 (unknown origin)
50020908	3	ChEMBL_2422612	Inhibition of CHK2 (unknown origin)
50020911	1	ChEMBL_2422719	Inhibition of PARP-1 (unknown origin) incubated for 70 mins by HT universal chemiluminescent assay
50020912	1	ChEMBL_2422792	Binding affinity to His8-tagged human LC3B expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant
50020913	1	ChEMBL_2422897	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 10 mins by DTNB-reagent based Ellman's method
50020913	2	ChEMBL_2422898	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 10 mins by DTNB based Ellman's method
50020913	3	ChEMBL_2422901	Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 10 mins by DTNB-reagent based Ellman's method
50020913	4	ChEMBL_2422902	Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 10 mins by DTNB based Ellman's method
50020913	5	ChEMBL_2422905	Mixed-type inhibition of equine serum BChE using varying concentrations of butyrylthiocholine iodide as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50020913	6	ChEMBL_2422906	Binding affinity to equine BChE in phosphate buffer at pH 8 assessed as equilibrium dissociation constant by SPR analysis
50020914	1	ChEMBL_2422937	Binding affinity to MDM2 (unknown origin) by SPR assay
50020916	1	ChEMBL_2422972	Inhibition of TRPV6 (unknown origin)
50020916	2	ChEMBL_2422975	Inhibition of TRPV6 (unknown origin) transfected in HEK293 cells assessed as reduction in TRPV6-induced Cd2+ influx
50020916	3	ChEMBL_2422976	Inhibition of human TRPV6 (1 to 725 residues) by FLIPR analysis
50020916	4	ChEMBL_2422977	Inhibition of human TRPV6 expressed in baculovirus infected Sf9 cells
50020916	5	ChEMBL_2422978	Inhibition of TRPV6 (unknown origin) expressed in Sf9 cells
50020917	1	ChEMBL_2422979	Inhibition of recombinant human DPP8
50020917	2	ChEMBL_2422980	Inhibition of recombinant human DPP9
50020917	3	ChEMBL_2422981	Inhibition of human DPP4
50020917	4	ChEMBL_2422982	Inhibition of recombinant human DPP2
50020917	5	ChEMBL_2422983	Inhibition of recombinant human FAP
50020917	6	ChEMBL_2422984	Inhibition of recombinant human PREP
50020918	1	ChEMBL_2423095	Binding affinity to Pseudomonas aeruginosa PAO1 LasR assessed as dissociation constant by SPR analysis
50020918	2	ChEMBL_2423096	Binding affinity to Pseudomonas aeruginosa PAO1 PqsR expressed in Escherichia coli BL21 assessed as dissociation constant by SPR analysis
50020919	1	ChEMBL_2423099	Antagonist activity at androgen receptor (unknown origin) transfected in HEK293T cells co-transfected with luciferase reporter gene assessed as inhibition of transcriptional activity incubated for 18 to 20 hrs by luminescence plate reader analysis
50020919	2	ChEMBL_2423102	Binding affinity to human androgen receptor transfected in HEK293 cell membrane co-transfected with ARC1 assessed as inhibition of [3H]-methyltrienolone binding to receptor incubated for 30 mins by competitive ligand binding assay
50020919	3	ChEMBL_2423121	Binding affinity to GST/His-tagged recombinant rat androgen receptor (606 to 902 residues) ligand binding domain expressed in baculovirus expression system assessed as dissociation constant by Biolayer interferometric analysis
50020919	4	ChEMBL_2423122	Binding affinity to androgen receptor N-terminal domain (unknown origin) assessed as dissociation constant by Biolayer interferometric analysis
50020922	1	ChEMBL_2423191	Inhibition of human TLK2 preincubated for 20 mins followed by 33P-ATP addition and measured after 120 mins by hotspot assay
50020922	2	ChEMBL_2423195	Inhibition of recombinant human TLK2 (388 to end residues) using myelin basic protein as substrate incubated for 2 hrs in presence of ATP by ADP-Glo kinase assay
50020922	3	ChEMBL_2423196	Inhibition of TLK2 (unknown origin)
50020922	4	ChEMBL_2423197	Inhibition of TLK1 (unknown origin)
50020924	1	ChEMBL_2423299	Inhibition of FGFR1 (unknown origin) by ELISA
50020924	2	ChEMBL_2423300	Inhibition of FGFR4 (unknown origin) by ELISA
50020924	3	ChEMBL_2423302	Inhibition of FGFR2 (unknown origin) by ELISA
50020924	4	ChEMBL_2423303	Inhibition of FGFR3 (unknown origin) by ELISA
50020926	1	ChEMBL_2423383	Inhibition of alpha-glucosidase (unknown origin) using p-NPG as substrate preincubated with compound followed by substrate addition by absorbance based analysis
50020926	2	ChEMBL_2423384	Binding affinity to human carbonic anhydrase 1 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50020926	3	ChEMBL_2423385	Binding affinity to human carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50020926	4	ChEMBL_2423386	Binding affinity to human carbonic anhydrase 9 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50020926	5	ChEMBL_2423387	Binding affinity to human carbonic anhydrase 12 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50020926	6	ChEMBL_2423391	Inhibition of alpha-glucosidase (unknown origin)
50020926	7	ChEMBL_2423392	Binding affinity to human recombinant carbonic anhydrase 2 assessed as inhibition constant incubated for 15 mins by phenol red based stopped-flow CO2 hydration assay
50020927	1	ChEMBL_2423394	Inhibition of HDAC1 in human HeLa cells using Boc-Lys (acetyl)-AMC as fluorogenic substrate measured after 30 mins by Spectra max M5 microplate reader analysis
50020927	2	ChEMBL_2423395	Inhibition of HDAC2 in human HeLa cells using Boc-Lys (acetyl)-AMC as fluorogenic substrate measured after 30 mins by Spectra max M5 microplate reader analysis
50020927	3	ChEMBL_2423396	Inhibition of HDAC6 in human HeLa cells using Boc-Lys (acetyl)-AMC as fluorogenic substrate measured after 30 mins by Spectra max M5 microplate reader analysis
50020927	4	ChEMBL_2423397	Inhibition of HDAC8 in human HeLa cells using Boc-Lys (acetyl)-AMC as fluorogenic substrate measured after 30 mins by Spectra max M5 microplate reader analysis
50020928	1	ChEMBL_2423455	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by DTNB based Ellman's colorimetric method
50020928	2	ChEMBL_2423457	Mixed type non-competitive inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate assessed as dissociation constant by dixon plot analysis
50020928	3	ChEMBL_2423458	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by DTNB based Ellman's colorimetric method
50020928	4	ChEMBL_2423459	Inhibition of Dyrk1A (unknown origin) incubated for 1 hrs in presence of [gamma-33P]-ATP by microplate scintillation counter based radiometric protein kinase assay
50020928	5	ChEMBL_2423460	Inhibition of human BACE-1 using (7-Methoxycoumarin-4-acetyl-[Asn670, Leu671]-Amyloid beta/A4 precursor protein 770 fragments 667-676- (2, 4-dinitrophenyl) Lys-Arg-Arg amide trifluoroacetate salt as substrate incubated for 2 hrs by FRET-based analysis
50020929	1	ChEMBL_2423555	Inhibition of LIMK1 (unknown origin) assessed as inhibition constant by LanthScreen Eu kinase binding assay
50020929	2	ChEMBL_2423556	Inhibition of LIMK2 (unknown origin) assessed as inhibition constant by LanthScreen Eu kinase binding assay
50020929	3	ChEMBL_2423580	Inhibition of GST-fused human LIMK1 (321 to 647 residues) expressed in Sf9 cells incubated for 30 mins by Topcount scintillation counting analysis
50020929	4	ChEMBL_2423581	Inhibition of GST-fused human LIMK2 (312 to 638 residues) expressed in Sf9 cells incubated for 30 mins by Topcount scintillation counting analysis
50020929	5	ChEMBL_2423582	Inhibition of LIMK1 (unknown origin)
50020929	6	ChEMBL_2423583	Inhibition of LIMK2 (unknown origin)
50020930	1	ChEMBL_2423584	Binding affinity to SOST (unknown origin) by SPR analysis
50020930	2	ChEMBL_2423585	Binding affinity to SOST loop2 (unknown origin) by SPR analysis
50020930	3	ChEMBL_2423586	Binding affinity to SOST loop3 (unknown origin) by SPR analysis
50020932	1	ChEMBL_2423595	Inhibition of PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
50020932	2	ChEMBL_2423597	Binding affinity to CM5 chip immobilized recombinant human PD-L1 assessed as dissociation constant by SPR analysis
50020933	1	ChEMBL_2423649	Binding affinity to HSP90beta (unknown origin) incubated for 30 mins by MST assay
50020934	1	ChEMBL_2423650	Inhibition of bovine xanthine oxidase using xanthine as substrate by measuring uric acid formation measured 30 secs interval for 5 mins by spectrophotometry analysis
50020934	2	ChEMBL_2423653	Binding affinity to bovine xanthine oxidase assessed as inhibition constant
50020935	1	ChEMBL_2423675	Inhibition of BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	2	ChEMBL_2423676	Inhibition of recombinant NAMPT (unknown origin) by fluorescence based assay
50020935	3	ChEMBL_2423696	Inhibition of BRD2 BD1/2 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	4	ChEMBL_2423697	Inhibition of BRD3 BD1/2 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	5	ChEMBL_2423698	Inhibition of BRD4 BD1/2 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	6	ChEMBL_2423699	Inhibition of BRD4 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	7	ChEMBL_2423700	Inhibition of BRD4 BD2 (unknown origin) incubated for 120 mins by TR-FRET assay
50020935	8	ChEMBL_2423701	Inhibition of BRDT BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50020936	1	ChEMBL_2423996	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by DTNB based Ellman's method
50020936	2	ChEMBL_2423997	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by DTNB based Ellman's method
50020936	3	ChEMBL_2423998	Inhibition of human BACE-1 measured after 2 hrs by FRET assay
50020936	4	ChEMBL_2424000	Non-competitive inhibition of human AChE using acetylthiocholine iodide as substrate assessed as inhibition constant at 0.03 to 0.3 uM by Dixon plot analysis
50020936	5	ChEMBL_2424056	Inhibition of BACE-1 (unknown origin) expressed in baculovirus using Rh-EVNLDAEFK-Quencher as substrate incubated for 90 mins by FRET assay
50020936	6	ChEMBL_2424058	Inhibition of electric eel AChE preincubated for 10 mins followed by substrate addition and measured after 15 mins by Ellman's method
50020936	7	ChEMBL_2424060	Inhibition of C-terminal 10-His tagged recombinant human BACE-1 using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-Lys(Dnp)-Arg-Arg-NH2 as substrate pretreated for 10 mins followed by substrate addition and measured every 5 mins for 120 mins
50020936	8	ChEMBL_2424061	Inhibition of BACE-1 in human SH-SY5Y cells transfected with human APP695 measured after 24 hrs by ELISA
50020936	9	ChEMBL_2424063	Inhibition of amyloid beta40 (unknown origin)
50020936	10	ChEMBL_2424064	Inhibition of amyloid beta42 (unknown origin)
50020936	11	ChEMBL_2424065	Inhibition of electric eel AChE
50020936	12	ChEMBL_2424066	Inhibition of equine BuChE
50020936	13	ChEMBL_2424067	Inhibition of AChE (unknown origin)
50020936	14	ChEMBL_2424068	Inhibition of BChE (unknown origin)
50020936	15	ChEMBL_2424071	Inhibition of human AChE
50020936	16	ChEMBL_2424072	Inhibition of human BChE
50020936	17	ChEMBL_2424073	Inhibition of human BACE-1
50020936	18	ChEMBL_2424074	Inhibition of AChE (unknown origin) by Ellman's method
50020936	19	ChEMBL_2424075	Inhibition of BuChE (unknown origin) by Ellman's method
50020936	20	ChEMBL_2424078	Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 6 mins by DTNB based Ellman's method
50020936	21	ChEMBL_2424079	Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured for 6 mins by DTNB based Ellman's method
50020936	22	ChEMBL_2424080	Inhibition of human BACE-1 by FRET assay
50020937	1	ChEMBL_2424083	Inhibition of leukemia inhibitory factor-induced STAT3 transcriptional activity in human HeLa cells expressing 4SIE pretreated for 1 hr followed by LIF stimulation and measured after 4 hrs by firefly luciferase assay
50020937	2	ChEMBL_2424084	Binding affinity to recombinant His-tagged STAT3 (127 to 722 residues) (unknown origin) expressed in Escherichia coli BL-21 Star (De3) pLysS by bio-layer interferometry assay
50020938	1	ChEMBL_2424346	Inhibition of equine serum BChE using BTC as substrate incubated for 2 mins by Ellman's method
50020938	2	ChEMBL_2424347	Inhibition of human BChE using BTC as substrate incubated for 2 mins by Ellman's method
50020938	3	ChEMBL_2424348	Inhibition of electric eel AChE using ATC as substrate incubated for 2 mins by Ellman's method
50020939	1	ChEMBL_2424410	Inhibition of BTK (unknown origin) using fluorescein labeled polyGAT peptide substrate incubated for 30 mins in presence of ATP by time-resolved fluorescence assay
50020939	2	ChEMBL_2424421	Inhibition of BTK in human Ramos cells
50020939	3	ChEMBL_2424426	Inhibition of human full-length wild type BTK (M1 to S659 residues) expressed in mammalian expression system
50020939	4	ChEMBL_2424451	Inhibition of NaV1.5 (unknown origin)
50020939	5	ChEMBL_2424452	Inhibition of CaV1.2 (unknown origin)
50020939	6	ChEMBL_2424480	Inhibition of PLCgamma2 phosphorylation in anti-IgM activated human Ramos cells
50020939	7	ChEMBL_2424484	Inhibition of BTK in human TMD8 cells assessed as reduction in CD19 expression
50020939	8	ChEMBL_2424485	Inhibition of BTK in human TMD8 cells assessed as reduction in CD36 expression
50020942	1	ChEMBL_2424520	Inhibition of AXL (unknown origin)
50020942	2	ChEMBL_2424521	Inhibition of DDR1 (unknown origin)
50020942	3	ChEMBL_2424522	Inhibition of AURORA-A (unknown origin)
50020942	4	ChEMBL_2424523	Inhibition of AURORA-B (unknown origin)
50020942	5	ChEMBL_2424524	Inhibition of AXL (unknown origin) by kinase profiling assay
50020942	6	ChEMBL_2424531	Inhibition of AXL (unknown origin) by HTRF kinase assay
50020945	1	ChEMBL_2424572	Inhibition of human USP10 deubiquitinase activity using Ubiquitin 7-amino-4-carbamoylmethylcoumarin as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorometric assay
50020945	2	ChEMBL_2424575	Binding affinity to GFP tagged human USP10 assessed as dissociation constant by Microscale thermophoresis analysis
50020945	3	ChEMBL_2424610	Inhibition of USP10 (unknown origin) using K11-diubiquitin as substrate
50020945	4	ChEMBL_2424611	Inhibition of USP7 (unknown origin) using K11-diubiquitin as substrate
50020945	5	ChEMBL_2424612	Inhibition of human recombinant his tagged USP10 assessed as deubiquitinase activity
50020945	6	ChEMBL_2424613	Inhibition of USP10 (unknown origin)
50020945	7	ChEMBL_2424614	Inhibition of USP13 (unknown origin)
50020946	1	ChEMBL_2424616	Inhibition of VEGFR2 (unknown origin)
50020946	2	ChEMBL_2424617	Inhibition of PDGFR (unknown origin)
50020946	3	ChEMBL_2424618	Inhibition of human VEGFR-2 by ELISA method
50020946	4	ChEMBL_2424626	Inhibition of human VEGFR2
50020946	5	ChEMBL_2424627	Inhibition of human VEGFR2 by discoverX kinome scan assay
50020946	6	ChEMBL_2424628	Inhibition of VEGFR2 (unknown origin) by Z'-Lyte kinase assay
50020946	7	ChEMBL_2424629	Inhibition of VEGFR2 (unknown origin) by FRET based assay
50020946	8	ChEMBL_2424630	Inhibition of human recombinant VEGFR2
50020946	9	ChEMBL_2424632	Inhibition of VEGFR2 in human MCF7 cells by ELISA method
50020946	10	ChEMBL_2424636	Inhibition of human VEGFR2 by ELISA method
50020946	11	ChEMBL_2424638	Inhibition of VEGFR2 (unknown origin) by Kinase-Glo assay
50020946	12	ChEMBL_2424644	Inhibition of human VEGFR2 incubated for 1 hrs in presence of ATP by ELISA assay
50020946	13	ChEMBL_2424653	Inhibition of VEGFR2 (unknown origin) incubated for 1 hr in presence of ATP by ELISA method
50020946	14	ChEMBL_2424656	Inhibition of VEGFR2 (unknown origin) using biotinylated Poly-(Glu,Tyr 4:1) peptide as substrate by ELISA method
50020946	15	ChEMBL_2424660	Inhibition of VEGFR2 (unknown origin) using Poly-(Glu,Tyr 4:1) peptide as substrate incubated for 1 hr by ELISA method
50020946	16	ChEMBL_2424672	Inhibition of human recombinant VEGFR2 using biotinylated poly-GluTyr (4:1) as susbtrate measured for 1 hr by ELISA method
50020946	17	ChEMBL_2424693	Inhibition of VEGFR2 (unknown origin) by kinase profiling assay
50020946	18	ChEMBL_2424698	Inhibition of EGFR (unknown origin)
50020946	19	ChEMBL_2424704	Inhibition of EGFR (unknown origin) by DiscoverX KINOMEscan assay
50020946	20	ChEMBL_2424708	Inhibition of HDAC1 (unknown origin)
50020946	21	ChEMBL_2424709	Inhibition of HDAC4 (unknown origin)
50020946	22	ChEMBL_2424710	Inhibition of HDAC6 (unknown origin)
50020946	23	ChEMBL_2424711	Inhibition of VEGFR1 (unknown origin)
50020946	24	ChEMBL_2424712	Inhibition of VEGFR3 (unknown origin)
50020946	25	ChEMBL_2424713	Inhibition of wild type BRAF (unknown origin)
50020946	26	ChEMBL_2424714	Inhibition of BRAF V600E mutant (unknown origin)
50020946	27	ChEMBL_2424715	Inhibition of GST-tagged human recombinant VEGFR2
50020946	28	ChEMBL_2424719	Inhibition of AKT1 (unknown origin)
50020946	29	ChEMBL_2424724	Inhibition of c-Met (unknown origin)
50020946	30	ChEMBL_2424727	Inhibition of PIM-1 (unknown origin)
50020946	31	ChEMBL_2424728	Inhibition of C-RAF (unknown origin)
50020946	32	ChEMBL_2424729	Inhibition of human EGFR
50020946	33	ChEMBL_2424732	Inhibition of B-RAF (unknown origin)
50020946	34	ChEMBL_2424733	Inhibition of wild-type B-RAF (unknown origin)
50020947	1	ChEMBL_2424853	Inhibition of ATP citrate lyase (unknown origin)
50020947	2	ChEMBL_2424854	Binding affinity to ATP citrate lyase (unknown origin) assessed as dissociation constant
50020947	3	ChEMBL_2424857	Inhibition of CGRP (unknown origin)
50020947	4	ChEMBL_2424858	Binding affinity to MBNL1 (unknown origin) (1 to 272 residues) assessed as dissociation constant
50020947	5	ChEMBL_2424859	Binding affinity to wild type FKBP51 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50020947	6	ChEMBL_2424860	Binding affinity to FKBP52 (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50020947	7	ChEMBL_2424861	Binding affinity to FKBP51 (unknown origin) assessed as dissociation constant by fluorescence polarization based assay
50020947	8	ChEMBL_2424862	Binding affinity to FKBP52 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020947	9	ChEMBL_2424863	Binding affinity to FKBP12 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020947	10	ChEMBL_2424864	Binding affinity to human FKBP12.6 assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay
50020947	11	ChEMBL_2424865	Binding affinity to AKT1 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020947	12	ChEMBL_2424866	Inhibition of AKT1 (unknown origin)
50020947	13	ChEMBL_2424867	Inhibition of JAK2 (unknown origin)
50020947	14	ChEMBL_2424870	Binding affinity to plasmin (unknown origin) assessed as inhibition constant
50020947	15	ChEMBL_2424872	Inhibition of mTOR (unknown origin)
50020947	16	ChEMBL_2424873	Inhibition of human PIM1 by discoverX kinome scan assay
50020947	17	ChEMBL_2424874	Inhibition of PIM2 (unknown origin) by discoverX kinome scan assay
50020947	18	ChEMBL_2424875	Inhibition of PIM3 (unknown origin) by discoverX kinome scan assay
50020947	19	ChEMBL_2424876	Binding affinity to thrombin (unknown origin) assessed as inhibition constant
50020947	20	ChEMBL_2424877	Binding affinity to recombinant human wild type STING expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by Surface plasmon resonance analysis
50020947	21	ChEMBL_2424878	Agonist activity at human wild type STING expressed in human THP-1 cells assessed increase in IRF3 phosphorylation incubated for 6 hrs by Western blot analysis
50020947	22	ChEMBL_2424879	Agonist activity at human STING HAQ variant expressed in human THP-1 cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production
50020947	23	ChEMBL_2424880	Agonist activity at human STING AQ variant expressed in human THP-1 cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production
50020947	24	ChEMBL_2424881	Agonist activity at human STING REF variant expressed in human THP-1 cells expressing IRF inducible SEAP reporter construct assessed as increase in interferon production
50020947	25	ChEMBL_2424882	Inhibition of TRKA G595R mutant (unknown origin) expressed in baculovirus expression system Sf9 cells incubated for 30 mins in presence of ATP by HTRF assay
50020948	1	ChEMBL_2424992	Inhibition of Mnk1 (unknown origin)
50020948	2	ChEMBL_2424993	Inhibition of Mnk2 (unknown origin)
50020948	3	ChEMBL_2424994	Inhibition of Mnk1 (unknown origin) incubated for 60 mins in presence of ATP/substrateby HTRF assay
50020948	4	ChEMBL_2424995	Inhibition of Mnk2 (unknown origin) incubated for 60 mins in presence of ATP/substrateby HTRF assay
50020948	5	ChEMBL_2424999	Inhibition of EGFR (unknown origin) by kinomescan profiling analysis
50020949	1	ChEMBL_2425043	Binding affinity to human galectin-1 assessed as dissociation constant by fluorescein probe based fluorescence polarization assay
50020949	2	ChEMBL_2425048	Binding affinity to mouse galectin-1 assessed as dissociation constant by fluorescein probe based fluorescence polarization assay
50020949	3	ChEMBL_2425054	Inhibition of human galectin-3 by competitive fluorescence polarization assay
50020949	4	ChEMBL_2425055	Inhibition of N-terminal human galectin-4 by competitive fluorescence polarization assay
50020949	5	ChEMBL_2425056	Inhibition of C-terminal human galectin-4 by competitive fluorescence polarization assay
50020949	6	ChEMBL_2425057	Inhibition of human galectin-7 by competitive fluorescence polarization assay
50020949	7	ChEMBL_2425058	Inhibition of N-terminal human galectin-8 by competitive fluorescence polarization assay
50020949	8	ChEMBL_2425059	Inhibition of C-terminal human galectin-8 by competitive fluorescence polarization assay
50020949	9	ChEMBL_2425060	Inhibition of N-terminal human galectin-9 by competitive fluorescence polarization assay
50020949	10	ChEMBL_2425061	Inhibition of C-terminal human galectin-9 by competitive fluorescence polarization assay
50020949	11	ChEMBL_2425070	Binding affinity to CM3 chip-immobilized full-length human galectin-1 assessed as dissociation constant by SPR analysis
50020949	12	ChEMBL_2425071	Binding affinity to CM3 chip-immobilized full-length human galectin-3 assessed as dissociation constant by SPR analysis
50020949	13	ChEMBL_2425072	Binding affinity to CM3 chip-immobilized full-length mouse galectin-1 assessed as dissociation constant by SPR analysis
50020949	14	ChEMBL_2425073	Binding affinity to CM3 chip-immobilized full-length mouse galectin-3 assessed as dissociation constant by SPR analysis
50020949	15	ChEMBL_2425074	Binding affinity to human galectin-1 assessed as dissociation constant by fluorescence polarization assay
50020949	16	ChEMBL_2425075	Binding affinity to mouse galectin-3 assessed as dissociation constant by fluorescein probe based fluorescence polarization assay
50020949	17	ChEMBL_2425077	Binding affinity to human galectin-1 assessed as dissociation constant by competitive fluorescence polarization assay
50020949	18	ChEMBL_2425078	Binding affinity to mouse galectin-1 assessed as dissociation constant by competitive fluorescence polarization assay
50020949	19	ChEMBL_2425079	Binding affinity to human galectin-3 assessed as dissociation constant by competitive fluorescence polarization assay
50020949	20	ChEMBL_2425080	Binding affinity to mouse galectin-3 assessed as dissociation constant by competitive fluorescence polarization assay
50020950	1	ChEMBL_2425093	Inhibition of ABL1 (unknown origin) in presence of ATP
50020950	2	ChEMBL_2425094	Inhibition of KIT (unknown origin) in presence of ATP
50020950	3	ChEMBL_2425095	Inhibition of PDGFR-beta (unknown origin) in presence of ATP
50020950	4	ChEMBL_2425096	Inhibition of CSF1R (unknown origin)
50020950	5	ChEMBL_2425097	Inhibition of KIT (unknown origin)
50020950	6	ChEMBL_2425098	Inhibition of FLT3 (unknown origin)
50020952	1	ChEMBL_2425141	Binding affinity to recombinant human JAK1 kinase domain by fluorescence polarization assay
50020952	2	ChEMBL_2425142	Binding affinity to recombinant human JAK2 kinase domain by fluorescence polarization assay
50020952	3	ChEMBL_2425143	Binding affinity to recombinant human JAK3 kinase domain by fluorescence polarization assay
50020952	4	ChEMBL_2425144	Binding affinity to recombinant human TYK2 kinase domain by fluorescence polarization assay
50020952	5	ChEMBL_2425145	Inhibition of recombinant human JAK1 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay
50020952	6	ChEMBL_2425146	Inhibition of recombinant human JAK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay
50020952	7	ChEMBL_2425147	Inhibition of recombinant human JAK3 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay
50020952	8	ChEMBL_2425148	Inhibition of recombinant human TYK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay
50020952	9	ChEMBL_2425157	Binding affinity to recombinant human JAK2 kinase domain (840 to 1132 residues) assessed as dissociation constant by ITC analysis
50020952	10	ChEMBL_2425159	Binding affinity to recombinant human JAK2 kinase domain (840 to 1132 residues) assessed as dissociation constant by fluorescence polarization measurement combined ITC analysis
50020952	11	ChEMBL_2425162	Inhibition of JAK2-mediated erythropoietin-induced STAT5 phosphorylation in human TF-1 cells pretreated for 60 mins followed by erythropoietin addition and measured after 15 mins by pacific orange/pacific blue NHS esters based Beckmann coulter flow cytometer
50020953	1	ChEMBL_2425172	Inhibition of N-terminal his 6 tagged Staphylococcus aureus Fabi (1 to 771 residues) expressed in Escherichia coli BL21 incubated for 30 mins in presence of NADPH by fluorescence based microplate reader analysis
50020954	1	ChEMBL_2425288	Inhibition of human Sirt2 (56 to 356 residues) deacetylation expressed in Escherichia coli BL21 (DE3) using ZMAL as substrate incubated for 4 hrs in presence of NAD+ by fluorescence based microplate reader assay
50020954	2	ChEMBL_2425289	Inhibition of human Sirt2 (56 to 356 residues) demyristoylation expressed in Escherichia coli BL21 (DE3) using ZMML as substrate incubated for 4 hrs in presence of NAD+ by fluorescence based microplate reader assay
50020954	3	ChEMBL_2425305	Inhibition of human Sirt2 deacetylation preincubated for 15 mins followed by H3K9-Ac substrate addition
50020954	4	ChEMBL_2425306	Inhibition of human Sirt2 defatty-acylation
50020954	5	ChEMBL_2425307	Inhibition of recombinant human C-terminal His-tagged Sirt2 (50 to 356 residues) expressed in Escherichia coli using QPKKac as substrate
50020954	6	ChEMBL_2425308	Inhibition of recombinant human C-terminal His-tagged Sirt2 (50 to 356 residues) expressed in Escherichia coli using r ETDKmyr as substrate
50020955	1	ChEMBL_2425312	Displacement of [3H]-yohimbine from human ADRA2A adrenergic receptor overexpressed in rat Chem-1 cells measured after 30 mins by microbeta2 liquid scintillation counting analysis
50020955	2	ChEMBL_2425316	Displacement of [3H]-yohimbine from human ADRA2A adrenergic receptor overexpressed in rat Chem-1 cells assessed as dissociation constant measured after 30 mins by microbeta2 liquid scintillation counting analysis
50020955	3	ChEMBL_2425317	Binding affinity to human ADRA2A adrenergic receptor overexpressed in rat Chem-1 cells assessed as dissociation constant by SPR analysis
50020958	1	ChEMBL_2425524	Displacement of [3H]-diprenorphine from recombinant human mu opioid receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 60 mins by scintillation counter analysis
50020959	1	ChEMBL_2425526	Inhibition of SARS-CoV2 PLpro using Z-RLRGG-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 20 sec shaking for 30 mins by time-resolved fluorescence assay
50020959	2	ChEMBL_2425563	Binding affinity to SARS-CoV2 PLpro by biolayer interferometry analysis
50020959	3	ChEMBL_2425568	Inhibition of SARS-CoV2 PLpro (746 to 1060 residues) expressed in Escherichia coli BL21 (DE3) using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate measured at 3 mins interval by plate reader assay
50020960	1	ChEMBL_2425610	Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 cells using a histone H1-derived substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counter analysis
50020960	2	ChEMBL_2425611	Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 cells using a histone H1-derived substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counter analysis
50020960	3	ChEMBL_2425612	Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells using a histone H1-derived substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counter analysis
50020960	4	ChEMBL_2425613	Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 cells using a histone H1-derived substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counter analysis
50020960	5	ChEMBL_2425614	Inhibition of CDK2 (unknown origin)
50020960	6	ChEMBL_2425615	Inhibition of CDK9 (unknown origin)
50020960	7	ChEMBL_2425616	Inhibition of CDK1 (unknown origin)
50020960	8	ChEMBL_2425618	Inhibition of recombinant CDK9/Cyclin T1 (unknown origin) in presence of ATP
50020960	9	ChEMBL_2425619	Inhibition of CDK9 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50020960	10	ChEMBL_2425620	Inhibition of CDK2 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50020960	11	ChEMBL_2425623	Inhibition of CDK4 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50020960	12	ChEMBL_2425624	Inhibition of CDK6 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50020960	13	ChEMBL_2425625	Inhibition of CDK7 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 1 hr in presence of ATP by FRET assay
50020962	1	ChEMBL_2425687	Agonist activity at mouse GPR18 expressed in CHO cells assessed as activation by measuring beta-arrestin2 recruitment incubated for 90 mins by luminescence based assay
50020962	2	ChEMBL_2425696	Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells assessed as inhibition constant by radioligand competition binding assay
50020962	3	ChEMBL_2425697	Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells assessed as inhibition constant by radioligand competition binding assay
50020963	1	ChEMBL_2425796	Binding affinity to human LRR domain of NLRP3 assessed as dissociation constant by isothermal titration calorimetry (ITC) method
50020963	2	ChEMBL_2425797	Inhibition of LRR domain of NLRP3 inflammasome in LPS/ATP-induced human THP-1 cells assessed as inhibition of IL-1beta level pretreated for 24 hrs followed by stimulated with LPS for 3 hrs and ATP for 1 hr by ELISA relative to control
50020963	3	ChEMBL_2425852	Binding affinity to LRR domain of NLRP3 (unknown origin) by isothermal titration calorimetry (ITC) analysis
50020963	4	ChEMBL_2425853	Binding affinity to LRR domain of NLRP3 (unknown origin) assessed as equilibrium dissociation constant by biolayer interferometry (BLI) analysis
50020963	5	ChEMBL_2425856	Binding affinity to NACHT domain of NLRP3 (unknown origin) assessed as equilibrium dissociation constant by biolayer interferometry (BLI) analysis
50020964	1	ChEMBL_2425872	Positive allosteric modulation of human M1 receptor
50020964	2	ChEMBL_2425875	Positive allosteric modulation of human M2 receptor
50020964	3	ChEMBL_2425878	Positive allosteric modulation of human M3 receptor
50020964	4	ChEMBL_2425883	Positive allosteric modulation of human M5 receptor
50020964	5	ChEMBL_2425913	Positive allosteric modulation of human muscarinic M4 receptor in presence of EC20 concentration of acetylcholine by FLIPR assay
50020965	1	ChEMBL_2425914	Inhibition of His-tagged human PD-L1 preincubated for 60 mins followed by substrate addition measured after 30 mins by HTRF assay
50020965	2	ChEMBL_2425915	Inhibition of CRBN (unknown origin)
50020965	3	ChEMBL_2425929	Binding affinity to mouse CRBN assessed as dissociation constant incubated for 15 mins by MST assay
50020965	4	ChEMBL_2425930	Binding affinity to mouse PD-L1 assessed as dissociation constant incubated for 15 mins by MST assay
50020967	1	ChEMBL_2426097	Agonist activity at human ClpP using Ac-WLA-AMC as substrate assessed as induction of substrate degradation
50020967	2	ChEMBL_2426098	Agonist activity at N-terminal SUMO tagged human ClpP transfected in Escherichia coli assessed as induction of alpha-casein degradation preincubated for 10 mins followed by alpha-casein addition and measured after 2 hrs by brilliant blue staining based SDS-PAGE analysis
50020967	3	ChEMBL_2426105	Binding affinity to human ClpP assessed as thermal stabilization incubated for 1 hr by SYPRO orange dye based DSF analysis
50020967	4	ChEMBL_2426106	Binding affinity to human ClpP assessed as dissociation constant by ITC analysis
50020968	1	ChEMBL_2426171	Inhibition of PI3Kdelta (unknown origin)
50020968	2	ChEMBL_2426172	Inhibition of PI3Kgamma (unknown origin)
50020968	3	ChEMBL_2426173	Inhibition of PI3Kalpha (unknown origin)
50020968	4	ChEMBL_2426174	Inhibition of PI3Kbeta (unknown origin)
50020968	5	ChEMBL_2426175	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 2 hrs by TR-FRET analysis
50020968	6	ChEMBL_2426176	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 2 hrs by TR-FRET analysis
50020968	7	ChEMBL_2426177	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 2 hrs by TR-FRET analysis
50020968	8	ChEMBL_2426178	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 2 hrs by TR-FRET analysis
50020969	1	ChEMBL_2426183	Inhibition of MER (unknown origin) preincubated for 15 mins followed by substrate and ATP addition and measured after 3 hrs by ADP-Glo kinase assay
50020969	2	ChEMBL_2426184	Inhibition of AXL (unknown origin) preincubated for 15 mins followed by substrate and ATP addition and measured after 3 hrs by ADP-Glo kinase assay
50020969	3	ChEMBL_2426185	Inhibition of wildtype EGFR (unknown origin) by kinase Glo assay
50020969	4	ChEMBL_2426186	Inhibition of EGFR T790M/L858R double mutant (unknown origin) by kinase Glo assay
50020969	5	ChEMBL_2426187	Inhibition of MER (unknown origin) expressed in mouse BaF3 cells co-expressing TMEM assessed as inhibition of MER-driven cell proliferation incubated for 72 hrs by MTS assay
50020969	6	ChEMBL_2426188	Inhibition of MER (unknown origin) by KINOMEScan assay
50020969	7	ChEMBL_2426189	Inhibition of AXL (unknown origin) by CEREP assay
50020969	8	ChEMBL_2426261	Inhibition of recombinant AXL (unknown origin) by fluorescence polarization assay
50020970	1	ChEMBL_2426269	Inhibition of FXIIa (unknown origin) using H-D-Pro-Phe-Arg-pNA as substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	2	ChEMBL_2426270	Inhibition of thrombin (unknown origin) using H-D-Phe-Pip-Arg-pNA-2HCl as substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	3	ChEMBL_2426271	Inhibition of PKal (unknown origin) using H-D-Pro-Phe-Arg-pNA-2HCl as substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	4	ChEMBL_2426272	Inhibition of FXIa (unknown origin) using p-Glu-Pro-Arg-pNA.HCl as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	5	ChEMBL_2426273	Inhibition of FXa (unknown origin) using Z-D-Arg-Gly-Arg-pNA.2HCl as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	6	ChEMBL_2426274	Inhibition of trypsin (unknown origin) using Bz-lle-Glu(gamma-OR)-Gly-Arg-pNA.HCl as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	7	ChEMBL_2426275	Inhibition of Chymotrypsin (unknown origin) using N-Suc-Ala-Ala-Pro-Phe-pNA as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	8	ChEMBL_2426276	Inhibition of plasmin (unknown origin) using PyroGlu-Phe-Lys-pNA.HCl as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	9	ChEMBL_2426277	Inhibition of tPA (unknown origin) using H-D-lle-Pro-Arg-pNA-2HCl as chromogenic substrate incubated for 20 mins followed by substrate addition by spectrophotometric analysis
50020970	10	ChEMBL_2426288	Binding affinity to FXIIa (unknown origin) assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate by spectrophotometric analysis
50020970	11	ChEMBL_2426347	Inhibition of human FXIIa using Boc-Gln-Gly-Arg-AMC as fluorogenic substrate by absorbance based analysis
50020970	12	ChEMBL_2426348	Inhibition of human FXIIa (unknown origin)
50020973	1	ChEMBL_2426349	Binding affinity to ROR1 kinase domain (453 to 783 residues) (unknown origin) assessed as dissociation constant by SPR analysis
50020973	2	ChEMBL_2426355	Inhibition of ROR1 (unknown origin) kinase activity
50020973	3	ChEMBL_2426478	Binding affinity to N-terminal His-tagged ROR1 frizzled domain (61 to 393 residues) (unknown origin) transfected in baculovirus infected High Five cells assessed as dissociation constant by SPR analysis
50020974	1	ChEMBL_2426481	Inhibition of BFL-1 (unknown origin)/Bim BH3 peptide (unknown origin) interaction by fluorescence polarization assay
50020974	2	ChEMBL_2426482	Binding affinity to BCL-W (unknown origin) assessed as inhibition constant by fluorescence polarization binding affinity assay
50020974	3	ChEMBL_2426483	Binding affinity to BCL-2 (unknown origin) assessed as inhibition constant by fluorescence polarization binding affinity assay
50020974	4	ChEMBL_2426484	Binding affinity to BCL-xL (unknown origin) assessed as inhibition constant by fluorescence polarization binding affinity assay
50020974	5	ChEMBL_2426485	Binding affinity to MCL-1 (unknown origin) assessed as inhibition constant by time-resolved fluorescence resonance energy transfer binding affinity assays
50020974	6	ChEMBL_2426492	Binding affinity to BFL-1 C55A mutant (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50020974	7	ChEMBL_2426493	Binding affinity to wild type human BFL-1 assessed as inhibition constant by SPR assay
50020975	1	ChEMBL_2426596	Inhibition of human recombinant N-terminal his tagged Bfl-1 (1 to 151 residues) expressed in Escherichia coli BL21-Gold (DE3) cells using HyLite Fluor 647-labeled BIM peptide as substrate incubated for 120 mins by TR-FRET assay
50020976	1	ChEMBL_2426607	Binding affinity to SmBit-tagged human G2A expressed in CHOK-1 cells co-expressing LgBit-betaarrestin2 incubated for 15 mins by NanoLuc betaarrestin2 recruitment assay
50020976	2	ChEMBL_2426628	Displacement of TAMRA-labeled C9 from Nluc/eYFP-tagged GPR1 (unknown origin) transfected in HEK293 cells assessed as inhibition constant incubated for 1 hrs by BRET analysis
50020977	1	ChEMBL_2426653	Binding affinity to CM5 sensor chip immobilized human B3GAT3 assessed as dissociation constant by SPR analysis
50020977	2	ChEMBL_2426654	Binding affinity to biotinylated B3GAT3 (unknown origin) assessed as dissociation constant by biolayer interferometry (BLI) analysis
50020978	1	ChEMBL_2426823	Binding affinity at human GPR84 expressed in HEK293 cells assessed as dissociation constant measured upto 60 mins
50020979	1	ChEMBL_2426857	Inhibition of human recombinant USP1 expressed in Escherichia coli BL21 (DE3) cells
50020979	2	ChEMBL_2426858	Inhibition of human recombinant USP1 expressed in baculovirus expressed in Bac-to-Bac baculovirus expression system
50020979	3	ChEMBL_2426859	Inhibition of USP1 (unknown origin)
50020979	4	ChEMBL_2426860	Inhibition of human DNA polymerase theta (1 to 987 residues) expressed in Sf9 insect cells incubated for 40 mins by ADP-glo assay
50020979	5	ChEMBL_2426863	Binding affinity to RAD51 (unknown origin) assessed as inhibition constant
50020979	6	ChEMBL_2426864	Binding affinity to RAD51 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020979	7	ChEMBL_2426866	Binding affinity to RAD52 (unknown origin) assessed as dissociation constant by Surface Plasmon Resonance
50020979	8	ChEMBL_2426867	Inhibition of RAD52 (unknown origin) by FRET analysis
50020979	9	ChEMBL_2426868	Inhibition of WEE1 (unknown origin) by discoverX kinome scan assay
50020979	10	ChEMBL_2426869	Inhibition of PARP1 (unknown origin) expressed in Escherichia coli BL21 incubated for 60 mins
50020979	11	ChEMBL_2426870	Agonist activity at PARG (unknown origin)
50020979	12	ChEMBL_2426873	Inhibition of ATM (unknown origin)
50020979	13	ChEMBL_2426874	Inhibition of DNA-PK in human HCT-116 cells measured after 1 hr by Bradford assay
50020981	1	ChEMBL_2426935	Inhibition of CSNK2A1 (unknown origin) in presence of ATP by Eurofins radiometric enzymatic assay
50020981	2	ChEMBL_2426936	Inhibition of CSNK2A2 (unknown origin) in presence of ATP by Eurofins radiometric enzymatic assay
50020981	3	ChEMBL_2426937	Inhibition of NLuc-fused CSNK2A2 (unknown origin) expressed in digitonin-permeabilized HEK293 cells incubated for 25 mins by NanoBRET assay
50020982	1	ChEMBL_2426949	Inhibition of N-terminal His-tagged SARS-CoV-2 PLpro using Z-RLRGG-AMC as substrate pre-incubated for 10 mins followed by substrate addition and measured after 30 mins by time-resolved fluorescence assay
50020982	2	ChEMBL_2426950	Inhibition of SARS CoV-2 main protease
50020982	3	ChEMBL_2426952	Binding affinity to SARS CoV-2 PLpro using Dabcyl-KTSAVLQ-SGFRKME-Edans as fluorogenic substrate incubated for 30 mins assessed as inhibition constant by Surface Plasmon Resonance
50020982	4	ChEMBL_2426953	Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constant by Surface Plasmon Resonance
50020982	5	ChEMBL_2426956	Inhibition of recombinant SARS-CoV-2 Main protease by FRET analysis
50020982	6	ChEMBL_2426957	Inhibition of human recombinant TMPRSS2 using Boc-Gln-Ala-Arg-AMC as peptide substrate pre-incubated with compound for 30 mins followed by substrate addition by fluorescence based assay
50020982	7	ChEMBL_2426958	Inhibition of SARS-CoV-2 main protease by FRET assay
50020982	8	ChEMBL_2426959	Inhibition of C-terminal His-tagged SARS-CoV-2 PLpro BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21(DE3) using ISG-AMC substrate incubated for 3 hrs by FRET analysis
50020982	10	ChEMBL_2426961	Inhibition of recombinant SARS-CoV-2 PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by fluorescence based assay
50020982	11	ChEMBL_2426964	Inhibition of TMPRSS2 (unknown origin) using Boc-Gln-Ala-Arg-AMC as peptide substrate pre-incubated with compound for 30 mins followed by substrate addition by fluorescence based assay
50020982	12	ChEMBL_2426965	Inhibition of furin (unknown origin)
50020982	13	ChEMBL_2426966	Binding affinity to recombinant hexa-His tagged SARS-COV-2 main protease expressed in Escherichia coli incubated for 1 hr by SDS-PAGE gel electrophoresis method
50020983	1	ChEMBL_2426967	Inhibition of PI3Kgamma (unknown origin)
50020983	2	ChEMBL_2426968	Inhibition of PI3Kdelta (unknown origin)
50020983	3	ChEMBL_2426969	Inhibition of Ribosomal protein S6 kinase in human THP-1 cells by ELISA analysis
50020983	4	ChEMBL_2426970	Inhibition of human PI3Kgamma expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay
50020983	5	ChEMBL_2426978	Inhibition of P13Kgamma (unknown origin) in the presence of ATP by scintillation proximity assay
50020983	6	ChEMBL_2426979	Inhibition of P13Kdelta (unknown origin) in the presence of ATP by scintillation proximity assay
50020983	7	ChEMBL_2426980	Inhibition of P13Kalpha (unknown origin) in the presence of ATP by scintillation proximity assay
50020983	8	ChEMBL_2426981	Inhibition of P13Kbeta (unknown origin) in the presence of ATP by scintillation proximity assay
50020983	9	ChEMBL_2426982	Inhibition of human recombinant PI3Kgamma using phosphatidylinositol as substrate in presence of [gamma33P]ATP by scintillation proximity assay
50020983	10	ChEMBL_2426984	Inhibition of P13Kalpha (unknown origin)
50020983	11	ChEMBL_2426985	Inhibition of PI3Kbeta (unknown origin)
50020983	12	ChEMBL_2426986	Inhibition of PI3Kgamma (unknown origin) by Scintillation Proximity Assay
50020983	13	ChEMBL_2426987	Binding affinity to PI3Kgamma (unknown origin) assessed as dissociation constant
50020983	14	ChEMBL_2426988	Inhibition of PI3Kalpha (unknown origin) using peptide as substrate preincubated for 10 mins followed by substrate addition by microplate reader analysis
50020983	15	ChEMBL_2426989	Inhibition of N-terminal His-tagged recombinant full-length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay
50020983	16	ChEMBL_2426990	Inhibition of human recombinant PI3Kgamma in the presence of ATP by scintillation proximity radiometric assay
50020983	17	ChEMBL_2426991	Binding affinity to PI3Kgamma (unknown origin) assessed as inhibition constant
50020984	1	ChEMBL_2427089	Inhibition of human DNA-PK using EPPLSQEAFADLWK as substrate in presence of ATP by kinase hotspot assay
50020984	2	ChEMBL_2427090	Inhibition of human PI3Kalpha using PI(4,5)P2:PS as substrate in presence of ATP by ADP-Glo assay
50020984	3	ChEMBL_2427091	Inhibition of human mTOR in presence of ATP
50020984	4	ChEMBL_2427094	Inhibition of human full length recombinant ATM using GST-cMyc-p53 as substrate by ELISA method
50020984	5	ChEMBL_2427101	Inhibition of human JNK2 using 33P as substrate in presence of ATP by kinase hotspot assay
50020984	6	ChEMBL_2427102	Inhibition of human JNK3 using 33P as substrate in presence of ATP by kinase hotspot assay
50020984	7	ChEMBL_2427103	Inhibition of human FMS using 33P as substrate in presence of ATP by kinase hotspot assay
50020984	8	ChEMBL_2427119	Inhibition of human PI3Kbeta using PI(4,5)P2:PS as substrate in presence of ATP by kinase hotspot assay
50020984	9	ChEMBL_2427120	Inhibition of human PI3Kgamma using PI(4,5)P2:PS as substrate in presence of ATP by kinase hotspot assay
50020984	10	ChEMBL_2427121	Inhibition of human PI3Kdelta using PI(4,5)P2:PS as substrate in presence of ATP by kinase hotspot assay
50020985	1	ChEMBL_2427176	Inhibition of ERAP1 (unknown origin)
50020985	2	ChEMBL_2427177	Inhibition of ERAP2 (unknown origin) using R-AMC as substrate
50020985	3	ChEMBL_2427178	Inhibition of IRAP (unknown origin) using L-AMC as substrate
50020985	4	ChEMBL_2427179	Inhibition of human recombinant ERAP1 expressed in baculovirus infected sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50020985	5	ChEMBL_2427180	Inhibition of human recombinant ERAP2 expressed in baculovirus infected sf9 cells using R-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50020985	6	ChEMBL_2427181	Inhibition of human recombinant IRAP expressed in baculovirus infected Sf9 cells using L-AMC as substrate incubated for 5 to 10 mins by Michaelis-Menten analysis
50020985	7	ChEMBL_2427182	Inhibition of C-terminal Hexa-histidine-tagged human recombinant ERAP1 expressed in Sf9 cells using L-AMC as substrate incubated for 15 mins by Michaelis-Menten analysis
50020985	8	ChEMBL_2427183	Inhibition of C-terminal Hexa-histidine-tagged human recombinant ERAP2 expressed in Sf9 cells using R-AMC as substrate incubated for 15 mins by Michaelis-Menten analysis
50020985	9	ChEMBL_2427185	Inhibition of FLAG-tagged human recombinant Aminopeptidase N
50020985	10	ChEMBL_2427186	Inhibition of full length human recombinant Leukotriene A-4 hydrolase expressed in baculovirus infected Insect cells
50020985	11	ChEMBL_2427187	Inhibition of human recombinant Leucine aminopeptidase 3
50020985	12	ChEMBL_2427188	Inhibition of ERAP1 (unknown origin) using L-pNA as susbtrate
50020985	13	ChEMBL_2427189	Inhibition of IRAP (unknown origin) using L-pNA as substrate
50020985	14	ChEMBL_2427190	Inhibition of ERAP1 (unknown origin) using WRCYEKMALK as substrate by Michaelis-Menten analysis
50020985	15	ChEMBL_2427191	Inhibition of ERAP1 (unknown origin) using VAFICARKF as substrate by Michaelis-Menten analysis
50020985	16	ChEMBL_2427192	Inhibition of ERAP1 (unknown origin) using L-AMC as substrate
50020989	1	ChEMBL_2427193	Inhibition of JAK2 V617F mutant (unknown origin)
50020989	2	ChEMBL_2427194	Inhibition of JAK1 (unknown origin) by FRET assay
50020989	3	ChEMBL_2427195	Inhibition of human full length JAK2
50020989	4	ChEMBL_2427196	Inhibition of human JAK1 by TR-FRET assay
50020989	5	ChEMBL_2427197	Inhibition of JAK1 (unknown origin)
50020989	6	ChEMBL_2427198	Inhibition of JAK2 (unknown origin)
50020989	7	ChEMBL_2427199	Inhibition of human recombinant JAK1 by TR-FRET assay
50020989	8	ChEMBL_2427200	Inhibition of human recombinant JAK2 by TR-FRET assay
50020989	9	ChEMBL_2427201	Inhibition of human recombinant JAK3 by TR-FRET assay
50020989	10	ChEMBL_2427202	Inhibition of TYK2 (unknown origin)
50020989	11	ChEMBL_2427203	Inhibition of human recombinant His-tagged JAK3 expressed in baculovirus-infected Sf21 cells using FITC-KGGEEEEYFELVKK as substrate by fluorescence based analysis
50020989	12	ChEMBL_2427204	Inhibition of JAK3 (unknown origin)
50020989	13	ChEMBL_2427205	Inhibition of GST-tagged JAK1 (unknown origin) expressed in insect cells
50020989	14	ChEMBL_2427206	Inhibition of GST-tagged JAK2 (unknown origin) expressed in insect cells
50020989	15	ChEMBL_2427207	Inhibition of GST-tagged JAK3 (unknown origin) expressed in insect cells
50020989	16	ChEMBL_2427208	Inhibition of wild type JAK2 (unknown origin)
50020990	1	ChEMBL_2427219	Inhibition of Toxoplasma gondii Dihydrofolate reductase
50020990	2	ChEMBL_2427220	Inhibition of Toxoplasma gondii thymidylate synthase
50020991	1	ChEMBL_2427224	Inhibition of C-terminal Histidine-tagged human FGFR4 (570 to 578 residues) expressed in Sf21 insect cells
50020991	2	ChEMBL_2427225	Inhibition of FGFR1 (unknown origin)
50020991	3	ChEMBL_2427226	Inhibition of FGFR2 (unknown origin)
50020991	4	ChEMBL_2427227	Inhibition of FGFR3 (unknown origin)
50020991	5	ChEMBL_2427228	Inhibition of FGFR4 (unknown origin)
50020991	6	ChEMBL_2427233	Inhibition of N-terminal 6xHis-tagged human FGFR1 (456 to 765 residues) transfected in Escherichia coli Rossetta cells incubated for 30 mins by ADP-Glo assay
50020991	7	ChEMBL_2427234	Inhibition of N-terminal 6xHis-tagged human FGFR2 (453 to 770 residues) transfected in Escherichia coli Rossetta cells incubated for 30 mins by ADP-Glo assay
50020991	8	ChEMBL_2427235	Inhibition of N-terminal 6xHis-tagged human FGFR3 (450 to 758 residues) transfected in Escherichia coli Rossetta cells incubated for 30 mins by ADP-Glo assay
50020991	9	ChEMBL_2427236	Inhibition of N-terminal 6xHis-tagged human FGFR4 (445 to 753 residues) transfected in Escherichia coli Rossetta cells incubated for 30 mins by ADP-Glo assay
50020991	10	ChEMBL_2427237	Inhibition of FGFR4 C552A mutant (unknown origin)
50020991	11	ChEMBL_2427238	Inhibition of FGFR4 C477A mutant (unknown origin)
50020991	12	ChEMBL_2427239	Inhibition of FGFR4 C552A/C477A double mutant (unknown origin)
50020991	13	ChEMBL_2427240	Inhibition of FGFR1 (unknown origin) incubated for 30 mins by ADP-Glo assay
50020991	14	ChEMBL_2427241	Inhibition of FGFR2 (unknown origin) incubated for 30 mins by ADP-Glo assay
50020991	15	ChEMBL_2427242	Inhibition of FGFR3 (unknown origin) incubated for 30 mins by ADP-Glo assay
50020991	16	ChEMBL_2427243	Inhibition of human FGFR4 using poly (Glu, Tyr)4:1 as substrate measured after 30 mins by ADP-Glo reagent based analysis
50020993	1	ChEMBL_2427257	Inhibition of [125I]-VEGF-A165 binding to NRP1 (unknown origin) in HUVEC cells
50020993	2	ChEMBL_2427262	Inhibition of Cathepsin L (unknown origin)
50020993	3	ChEMBL_2427263	Inhibition of SARS CoV-2 main protease
50020993	4	ChEMBL_2427264	Inhibition of Cathepsin L (unknown origin) using Z-Leu-Arg-AMC as fluorogenic substrate incubated for 30 mins by fluorescence based analysis
50020993	5	ChEMBL_2427265	Inhibition of SARS-Cov-2 Main protease by FRET assay
50020993	6	ChEMBL_2427267	Inhibition of human recombinant Cathepsin L using Z-Phe-Arg-AMC as substrate incubated for 60 mins by fluorescence spectrophotometric analysis
50020993	7	ChEMBL_2427272	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate pre-incubated for 30 mins and measured for 15 mins by FRET assay
50020993	8	ChEMBL_2427273	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate pre-incubated for 45 mins and measured for 15 mins by FRET assay
50020993	9	ChEMBL_2427274	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate pre-incubated for 120 mins and measured for 15 mins by FRET assay
50020993	10	ChEMBL_2427276	Inhibition of SARS-CoV-2 MPro expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 1 hr by fluorescence based analysis
50020993	11	ChEMBL_2427280	Inhibition of human Cathepsin L using Cbz-Phe-Arg-AMC as substrate measured for 10 mins by fluorescence based analysis
50020993	12	ChEMBL_2427281	Binding affinity to AAK1 (unknown origin) assessed as dissociation constant
50020993	13	ChEMBL_2427287	Inhibition of N-terminal His-tagged human PIKfyve expressed in Sf9 insect cells incubated for 1 hr by enzyme assay
50020993	14	ChEMBL_2427288	Binding affinity to N-terminal His-tagged human PIKfyve expressed in Sf9 cells assessed as dissociation constant
50020993	15	ChEMBL_2427292	Inhibition of PIKfyve (unknown origin)
50020993	16	ChEMBL_2427293	Binding affinity to furin (unknown origin) assessed as inhibition constant
50020993	17	ChEMBL_2427295	Inhibition of furin (unknown origin)
50020993	18	ChEMBL_2427299	Inhibition of human TMPRSS2
50020994	1	ChEMBL_2427301	Binding affinity to CRBN (unknown origin) assessed as dissociation constant by TR-FRET assay
50020994	2	ChEMBL_2427302	Inhibition of CRBN (unknown origin)
50020994	3	ChEMBL_2427303	Binding affinity to CRBN (unknown origin) assessed as inhibition constant by TR-FRET analysis
50020994	4	ChEMBL_2427304	Binding affinity to FKBP12 (unknown origin) assessed as dissociation constant
50020994	5	ChEMBL_2427305	Binding affinity to FKBP12 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50020994	6	ChEMBL_2427308	Binding affinity to ZFP91 (unknown origin) assessed as dissociation constant
50020994	7	ChEMBL_2427323	Binding affinity to FKBP12 (unknown origin) assessed as inhibition constant
50020994	8	ChEMBL_2427326	Inhibition of BCL6 BTB domain (5 to 129 residues) (unknown origin) expressed in Escherichia coli using 5-TAMRA-RSEIISTAPSSWVVPGP as substrate incubated 1 hr by TR-FRET assay
50020994	9	ChEMBL_2427335	Inhibition of RBM39 (unknown origin)
50020994	10	ChEMBL_2427336	Inhibition of CDK12/cyclinK (unknown origin) measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50020994	11	ChEMBL_2427337	Inhibition of human LC3B expressed in Escherichia coli BL21 (DE3)
50020994	12	ChEMBL_2427338	Inhibition of full length GST-Tagged human beta catenin overexpressed in HEK293T cells by TR-FRET assay
50020994	13	ChEMBL_2427340	Inhibition of ERalpha (unknown origin)
50020994	14	ChEMBL_2427341	Inhibition of human full length 14-3-3beta expressed in Escherichia coli BL21 (DE3) by fluorescence based analysis
50020994	15	ChEMBL_2427342	Inhibition of CFTR (unknown origin)
50020995	1	ChEMBL_2427361	Inhibition of LSD1 (unknown origin)
50020995	2	ChEMBL_2427362	Inhibition of HDAC1 (unknown origin)
50020995	3	ChEMBL_2427364	Inhibition of N-terminal GST-tagged LSD1 (171 to 852 residues) (unknown origin) expressed in Escherichia coli using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate measured for 20 mins by spectrophotometric analysis
50020995	4	ChEMBL_2427368	Inhibition of EGFR (unknown origin)
50020995	5	ChEMBL_2427370	Inhibition of human recombinant LSD1 incubated for 60 mins by fluorescence based analysis
50020995	6	ChEMBL_2427371	Inhibition of MAO-A (unknown origin) measured by MAO-GloTM method
50020995	7	ChEMBL_2427372	Inhibition of DCN1 (unknown origin)
50020995	8	ChEMBL_2427374	Inhibition of human recombinant LSD1 by fluorescence based analysis
50020995	9	ChEMBL_2427381	Inhibition of human recombinant LSD1 using H3K4me2 as peptide substrate incubated for 30 mins by fluorescence based analysis
50020995	10	ChEMBL_2427382	Inhibition of N-terminal His-tagged LSD1 (unknown origin)
50020995	11	ChEMBL_2427383	Inhibition of LSD1 (unknown origin) by fluorescence based analysis
50020995	12	ChEMBL_2427384	Inhibition of HDAC2 (unknown origin)
50020995	13	ChEMBL_2427385	Inhibition of HDAC3 (unknown origin)
50020997	1	ChEMBL_2427387	Inhibition of SARS CoV-2 main protease
50020997	2	ChEMBL_2427391	Inhibition of SARS-CoV-2 main protease by FRET assay
50020997	3	ChEMBL_2427393	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 10 mins by FRET assay
50020998	1	ChEMBL_2427397	Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate by Ellman's method
50020998	2	ChEMBL_2427398	Inhibition of HDAC3 (unknown origin)
50020998	3	ChEMBL_2427399	Inhibition of full-length recombinant human CDC25C incubated for 5 to 8 mins by fluorescence based assay
50020998	4	ChEMBL_2427400	Inhibition of recombinant human AChE by Ellman's method
50020998	5	ChEMBL_2427401	Inhibition of human recombinant COX-2
50020998	6	ChEMBL_2427404	Inhibition of HIV-1 protease
50020998	7	ChEMBL_2427405	Binding affinity to HIV-1 protease assessed as inhibition constant
50020998	8	ChEMBL_2427410	Inhibition of ABL1 (unknown origin) by ADP-Glo assay
50020998	9	ChEMBL_2427411	Inhibition of SRC (unknown origin) by ADP-Glo assay
50020998	10	ChEMBL_2427412	Binding affinity to human carbonic anhydrase 2 assessed as inhibition constant
50020998	11	ChEMBL_2427414	Binding affinity to human OGA expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant
50020998	12	ChEMBL_2427416	Inhibition of human OGA
50020998	13	ChEMBL_2427417	Inhibition of COX-2 (unknown origin)
50020998	14	ChEMBL_2427427	Inhibition of SARS CoV-2 Main protease
50020999	1	ChEMBL_2427665	Inhibition of IDO (unknown origin)
50020999	2	ChEMBL_2427666	Inhibition of RIPK1 (unknown origin)
50020999	3	ChEMBL_2427673	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant
50020999	4	ChEMBL_2427677	Inhibition of RIPK1 (unknown origin) by fluorescence polarization assay
50020999	5	ChEMBL_2427678	Inhibition of N-terminal His-tagged human RIPK1 (1 to 294 residues) expressed in baculovirus infected Sf9 cells incubated for 48 hrs by ADP-Glo assay
50020999	6	ChEMBL_2427679	Inhibition of human recombinant AURORA-A by ADP-Glo assay
50020999	7	ChEMBL_2427680	Inhibition of human recombinant RIPK1
50020999	8	ChEMBL_2427681	Inhibition of RIPK1 (unknown origin) assessed as dissociation constant by fluorescence based analysis
50020999	9	ChEMBL_2427682	Inhibition of Aurora-A (unknown origin) by kinase-glo luminescent assay
50020999	10	ChEMBL_2427683	Inhibition of FLT3 (unknown origin) by enzymatic assay
50020999	11	ChEMBL_2427684	Inhibition of GST-tagged human recombinant RIPK1 incubated for 4 hrs by ADP-glo reagent based assay
50020999	12	ChEMBL_2427685	Inhibition of GST-tagged human recombinant PERK by ADP-glo reagent based assay
50020999	13	ChEMBL_2427686	Inhibition of human RIPK1 using myelin basic protein as substrate measured after 120 mins in presence of [gamma33P]ATP by scintillation counting method
50020999	14	ChEMBL_2427687	Inhibition of human PERK
50020999	15	ChEMBL_2427689	Binding affinity to human recombinant RIPK1 assessed as dissociation constant
50020999	16	ChEMBL_2427690	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant
50020999	17	ChEMBL_2427694	Inhibition of recombinant RIPK1 (unknown origin) by ADP-Glo assay
50020999	18	ChEMBL_2427695	Inhibition of recombinant RIPK3 (unknown origin) by ADP-Glo assay
50020999	19	ChEMBL_2427696	Inhibition of RCC1 (unknown origin)
50020999	20	ChEMBL_2427697	Inhibition of RIPK3 (unknown origin)
50020999	21	ChEMBL_2427698	Inhibition of human full length GST-tagged RIPK1 expressed in baculovirus infected Sf9 cells using measured after 120 mins in presence of [gamma33P]ATP by scintillation counting method
50020999	22	ChEMBL_2427699	Binding affinity to human full length GST-tagged RIPK1 expressed in baculovirus infected Sf9 cells assessed as dissociation constant
50020999	23	ChEMBL_2427705	Inhibition of human recombinant RIPK1 (1 to 327 residues) using myelin basic protein as substrate incubated for 4 hrs by ADP-Glo kinase assay
50020999	24	ChEMBL_2427706	Inhibition of human recombinant RIPK2 incubated for 1 hr by ADP-Glo kinase assay
50020999	25	ChEMBL_2427707	Inhibition of human recombinant RIPK3 incubated for 1 hr by ADP-Glo kinase assay
50020999	26	ChEMBL_2427712	Binding affinity to human recombinant RIPK1 (1 to 327 residues) using myelin basic protein as substrate assessed as dissociation constant measured for 1 hr by scintillation counting method
50020999	27	ChEMBL_2427716	Inhibition of RIPK2 (unknown origin)
50020999	28	ChEMBL_2427717	Inhibition of RIPK1 (unknown origin) in presence of [gamma33P]ATP measured after 30 mins by scintillation counting method
50021000	1	ChEMBL_2427718	Inhibition of human AChE
50021000	2	ChEMBL_2427719	Inhibition of human BuChE
50021000	3	ChEMBL_2427720	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition by Ellman's method
50021000	4	ChEMBL_2427721	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition by Ellman's method
50021000	5	ChEMBL_2427722	Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 6 mins by Ellman's method
50021000	6	ChEMBL_2427723	Inhibition of BuChE in human serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured for 6 mins by Ellman's method
50021000	7	ChEMBL_2427724	Inhibition of electric eel AChE
50021000	8	ChEMBL_2427725	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured for 10 mins by Ellman's method
50021000	9	ChEMBL_2427726	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and measured for 10 mins by Ellman's method
50021000	10	ChEMBL_2427727	Inhibition of human BACE-1 incubated for 2 hrs by FRET assay
50021000	11	ChEMBL_2427728	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method
50021000	12	ChEMBL_2427731	Mixed inhibition of recombinant human AChE expressed in HEK293 cells assessed as dissociation constant using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50021000	13	ChEMBL_2427733	Mixed inhibition of human BACE-1 assessed as dissociation constant by Lineweaver-Burk plot analysis
50021000	14	ChEMBL_2427735	Mixed inhibition of equine serum BuChE assessed as dissociation constant using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50021001	1	ChEMBL_2427736	Inhibition of p300 HAT (unknown origin)
50021001	2	ChEMBL_2427737	Inhibition of p300 HAT (unknown origin) using 3H-acetyl-CoA as substrate assessed as H3 peptide acetylation preincubated with compound for 15 mins followed by substrate addition and measured after 30 mins by microbeta scintillation counter analysis
50021002	1	ChEMBL_2427788	Inhibition of C-terminal 6XHis-tagged/FLAG-tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(acetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	2	ChEMBL_2427789	Inhibition of C-terminal 6XHis-tagged full length human recombinant HDAC2 (1 to 488 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(acetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	3	ChEMBL_2427790	Inhibition of C-terminal His-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(acetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	4	ChEMBL_2427791	Inhibition of N-terminal GST-tagged human recombinant NAMPT (2 to 491 residues) expressed in Escherichia coli expression system incubated for 30 mins by fluorescence based analysis
50021002	5	ChEMBL_2427793	Inhibition of C-terminal His-tagged/N-terminal GST-tagged human HDAC4 (627 to 1084 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	6	ChEMBL_2427794	Inhibition of C-terminal His-tagged human HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	7	ChEMBL_2427795	Inhibition of N-terminal GST-tagged human full length recombinant HDAC6 (1 to 1215 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(acetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	8	ChEMBL_2427796	Inhibition of N-terminal GST-tagged human HDAC7 (518 to end residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	9	ChEMBL_2427797	Inhibition of C-terminal His-tagged full length human recombinant HDAC8 (1 to 377 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	10	ChEMBL_2427798	Inhibition of C-terminal His-tagged human recombinant HDAC9 (604 to 1066 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	11	ChEMBL_2427799	Inhibition of full length human recombinant HDAC11 (1 to 347 residues) expressed in baculovirus-infected Sf9 cells using Boc-Lys-(trifluoroacetyl)-AMC as substrate preincubated with enzyme for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence analysis
50021002	12	ChEMBL_2427822	Inhibition of NAMPT (unknown origin)
50021003	1	ChEMBL_2427824	Inhibition of recombinant Escherichia coli NDM1
50021004	1	ChEMBL_2427883	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by absorbance based spectramax microplate reader assay
50021004	2	ChEMBL_2427884	Inhibition of tyrosinase in human MNT-1 cells using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 180 mins by absorbance based spectramax microplate reader assay
50021004	3	ChEMBL_2427889	Inhibition of His-tagged human tyrosinase expressed in HEK293 cells using L-DOPA as substrate by microplate reader analysis
50021004	4	ChEMBL_2427890	Binding affinity to His-tagged human tyrosinase expressed in HEK293 cells assessed as inhibition constant by HTS assay
50021006	1	ChEMBL_2427894	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by fluorescence based analysis
50021006	2	ChEMBL_2427895	Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by fluorescence based analysis
50021007	1	ChEMBL_2427922	Inhibition of Plasmodium falciparum DHODH
50021007	2	ChEMBL_2427939	Inhibition of Plasmodium falciparum DHODH measured over 60 secs by DCIP dye based colorimetric assay
50021008	1	ChEMBL_2427951	Inhibition of human full length recombinant ATM using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISA
50021008	2	ChEMBL_2427952	Inhibition of human full length recombinant DNA-PK using GST-c-Myc-p53 as substrate measured after 30 mins in presence of Mg/ATP mix by ELISA
50021008	3	ChEMBL_2427953	Inhibition of human full length recombinant mTOR measured after 40 mins in presence of [gamma-33P]ATP by radiometric scintillation counting analysis
50021008	4	ChEMBL_2427954	Inhibition of PI3K alpha (unknown origin) by kinase profiler analysis
50021008	5	ChEMBL_2427955	Inhibition of human ATR/ATRIP using GST-tagged p53 as substrate in presence of 3 uM ATP by AlphaScreen assay
50021008	6	ChEMBL_2427956	Inhibition of ATR (unknown origin) by Morrison equation based analysis
50021008	7	ChEMBL_2427957	Inhibition of ATR in human HeLa S3 cells assessed as decrease in CHK1 phosphorylation at Ser345 residue pretreated for 20 mins followed by gemcitabine stimulation for 3.5 to 4 hrs by AlphaScreen SurFire assay
50021008	8	ChEMBL_2427985	Inhibition of ATR in gemcitabine-stimulated human LoVo cells assessed as decrease in CHK1 phosphorylation at Ser345 residue
50021009	1	ChEMBL_2428272	Inhibition of HPK1 (unknown origin) preincubated for 10 mins followed by ATP addition measured after 60 mins by ADP-Glo assay
50021009	2	ChEMBL_2428273	Inhibition of HPK1 in human Jurkat cells assessed as decrease in SLP-76 phosphorylation at Ser376 incubated for 1 hr by ELISA
50021009	3	ChEMBL_2428274	Inhibition of GLK (unknown origin)
50021009	4	ChEMBL_2428275	Inhibition of LCK (unknown origin)
50021009	5	ChEMBL_2428279	Activation of IL-2 in human Jurkat cells incubated for 24 hrs by ELISA
50021010	1	ChEMBL_2428335	Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hrs by TR-FRET assay
50021010	2	ChEMBL_2428336	Inhibition of JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hrs by TR-FRET assay
50021010	3	ChEMBL_2428337	Inhibition of JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hrs by TR-FRET assay
50021010	4	ChEMBL_2428338	Inhibition of TYK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hrs by TR-FRET assay
50021010	5	ChEMBL_2428342	Inhibition of JAK1 in mouse Ba/F3-TEL-JAK1 cells assessed as inhibition of JAK1-driven cell growth incubated for 72 hrs by CCK8 assay
50021010	6	ChEMBL_2428343	Inhibition of JAK2 in mouse Ba/F3-TEL-JAK2 cells assessed as inhibition of JAK1-driven cell growth incubated for 72 hrs by CCK8 assay
50021010	7	ChEMBL_2428344	Inhibition of JAK3 in mouse Ba/F3-TEL-JAK3 cells assessed as inhibition of JAK1-driven cell growth incubated for 72 hrs by CCK8 assay
50021010	8	ChEMBL_2428422	Inhibition of JAK1 (unknown origin)
50021010	9	ChEMBL_2428423	Inhibition of JAK2 (unknown origin)
50021010	10	ChEMBL_2428424	Inhibition of JAK3 (unknown origin)
50021010	11	ChEMBL_2428425	Inhibition of TYK2 (unknown origin)
50021010	12	ChEMBL_2428429	Inhibition of recombinant JAK1 (unknown origin) (837 to 1142 residues) in presence of ATP by homogeneous time-resolved fluorescence assay
50021010	13	ChEMBL_2428430	Inhibition of recombinant JAK2 (unknown origin) (828 to 1132 residues) in presence of ATP by homogeneous time-resolved fluorescence assay
50021010	14	ChEMBL_2428431	Inhibition of recombinant JAK3 (unknown origin) (718 to 1124 residues) in presence of ATP by homogeneous time-resolved fluorescence assay
50021010	15	ChEMBL_2428432	Inhibition of recombinant TYK2 (unknown origin) (873 to 1187 residues) in presence of ATP by homogeneous time-resolved fluorescence assay
50021010	16	ChEMBL_2428436	Inhibition of human JAK1 using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hrs in presence of ATP by ELISA
50021010	17	ChEMBL_2428437	Inhibition of human JAK2 using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hrs in presence of ATP by ELISA
50021010	18	ChEMBL_2428438	Inhibition of human JAK3 using Biotin-Lyn-Substrate-2 as substrate incubated for 1 hrs in presence of ATP by ELISA
50021010	19	ChEMBL_2428439	Inhibition of human TYK2 using Biotin-IRS1-substrate as substrate incubated for 1 hrs in presence of ATP by ELISA
50021014	1	ChEMBL_2428443	Inhibition of recombinant human TEV fused AKR1C3 expressed in Escherichia coli BL21(DE) codon plus RP cells assessed as reduction in substrate oxidation using S-tetralol as substrate in presence of NADP+
50021014	2	ChEMBL_2428465	Binding affinity to recombinant human AKR1C3 in presence of NADP+ by MST assay
50021015	1	ChEMBL_2428481	Binding affinity human CDC20 assessed as dissociation constant by SPR analysis
50021016	1	ChEMBL_2428583	Inhibition of exosomal PD-L1 (unknown origin) generation preincubated with compound for 24 hrs followed by strep-d2 acceptor bead addition and measured after 30 mins by HTRF assay
50021017	1	ChEMBL_2428620	Binding affinity to menin (unknown origin) incubated for 1 hr by fluorescence polarization assay
50021017	2	ChEMBL_2428656	Binding affinity to menin (unknown origin) by fluorescence polarization assay
50021020	1	ChEMBL_2428668	Inhibition of HDAC6 (unknown origin) preincubated with compound for 30 mins followed by substrate addition measured after 15 mins by fluorescence based assay
50021023	1	ChEMBL_2428851	Inhibition of alpha-synuclein (unknown origin) aggregation inhibition ratio by measuring relative fluorescence intensity measured after 3 days by ThT F1 based assay relative to control
50021024	1	ChEMBL_2428908	Inhibition of AAK1 (unknown origin)
50021024	2	ChEMBL_2428909	Binding affinity to AAK1 (unknown origin) assessed as dissociation constant
50021024	3	ChEMBL_2428917	Inhibition of GST-tagged recombinant human AAK1 (1 to 510 residues) expressed in insect cells using Aha-KEEQSQITSQVTGQIGWR-NH2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50021025	1	ChEMBL_2428977	Binding affinity to TLR2 (unknown origin) assessed as dissociation constant by SPR analysis
50021027	1	ChEMBL_2429024	Inhibition of human recombinant COX-2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based analysis
50021027	2	ChEMBL_2429025	Inhibition of sheep COX-1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based analysis
50021028	1	ChEMBL_2429362	Inhibition of Aurora B (unknown origin)
50021028	2	ChEMBL_2429363	Inhibition of Aurora B in human HeLa cells using histone H1 as substrate
50021028	3	ChEMBL_2429364	Binding affinity to Aurora B (unknown origin) assessed as dissociation constant
50021028	4	ChEMBL_2429365	Binding affinity to Aurora B (unknown origin) assessed as inhibition constant
50021028	5	ChEMBL_2429367	Inhibition of N terminal his tagged recombinant Aurora B (unknown origin) expressed in baculovirus expression system incubated for 60 mins in presence of ATP
50021028	6	ChEMBL_2429368	Inhibition of N terminal his tagged recombinant Aurora A (unknown origin) expressed in baculovirus expression system incubated for 60 mins in presence of ATP
50021029	1	ChEMBL_2429698	Inhibition of amino-terminal His-SUMO tagged SARS-CoV-2 3CLpro using HilyteFluor 488-Glu-Ser-Ala-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-Ala-Lys-QXL 520 as FRET peptide substrate preincubated for 90 mins followed by substrate addition and measured over 30 mins by continuous FRET assay
50021030	1	ChEMBL_2429729	Inhibition of human FGFR4 (445 to 753 residues) using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021030	2	ChEMBL_2429732	Inhibition of human FGFR1 (456 to 765 residues) using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021030	3	ChEMBL_2429733	Inhibition of human FGFR2 (458 to 768 residues) using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021030	4	ChEMBL_2429734	Inhibition of human FGFR3 (450 to 758 residues) using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021030	5	ChEMBL_2429738	Inhibition of human FGFR4 C477A mutant using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021030	6	ChEMBL_2429739	Inhibition of human FGFR4 C552A mutant using preincubated for 30 mins followed by ATP plus poly (4:1 glu, tyr) addition and measured after 30 mins by ADP-Glo reagent based plate reader analysis
50021031	1	ChEMBL_2429837	Inhibition of PDE3A (unknown origin) using cAMP as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by HTS assay
50021031	2	ChEMBL_2429862	Binding affinity to recombinant human Cardiac troponin C (1 to 89 residues) expressed in Escherichia coli assessed as dissociation constant
50021032	1	ChEMBL_2429863	Inhibition of USP2 (267 to 599 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using ubiquitin-rhodamine-110 as substrate preincubated with compound for 30 mins followed by substrate addition measured after 30 mins by fluorometric assay
50021032	2	ChEMBL_2429864	Inhibition of N-terminal His6 tagged USP8 (734 to 1110 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using ubiquitin-rhodamine-110 as substrate preincubated with compound for 30 mins followed by substrate addition measured after 30 mins by fluorometric assay
50021032	3	ChEMBL_2429909	Inhibition of USP2 (unknown origin) incubated for 20 mins followed by substrate addition by fluorescence based high-throughput assay
50021032	4	ChEMBL_2429910	Inhibition of human USP2A (258 to 605 residues) expressed in Escherichia coli BL21 (DE3) using Ub-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence based assay
50021032	5	ChEMBL_2429911	Inhibition of human His tagged full-length USP8 expressed in baculovirus infected Sf9 cells using Ub-AMC as substrate by fluorescence spectroscopy
50021032	6	ChEMBL_2429912	Inhibition of N-terminal His6 tagged USP8 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using ubiquitin-rhodamine-110 as substrate preincubated with compound for 15 mins followed by substrate addition measured after 60 mins by fluorometric assay
50021032	7	ChEMBL_2429913	Inhibition of USP2 (unknown origin) using Di-Ub IQF K48-4 as substrate preincubated for 10 mins followed by substrate addition by high-throughput assay
50021032	8	ChEMBL_2429914	Inhibition of USP8 (unknown origin) using Di-Ub IQF K48-02 as substrate preincubated for 30 mins followed by substrate addition by high-throughput assay
50021034	1	ChEMBL_2429921	Inhibition of HDAC1 in human HeLa nuclear extracts incubated for 30 mins by fluorescence based assay
50021034	2	ChEMBL_2429922	Inhibition of HDAC2 in human HeLa nuclear extracts incubated for 30 mins by fluorescence based assay
50021034	3	ChEMBL_2429923	Inhibition of HDAC6 in human HeLa nuclear extracts incubated for 30 mins by fluorescence based assay
50021034	4	ChEMBL_2429924	Inhibition of HDAC7 in human HeLa nuclear extracts incubated for 30 mins by fluorescence based assay
50021035	1	ChEMBL_2429992	Inhibition of horse serum BChE using BTC iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50021035	2	ChEMBL_2429993	Inhibition of human BChE using BTC iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's method
50021036	1	ChEMBL_2430047	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ATP by ITC analysis
50021036	2	ChEMBL_2430051	Inhibition of Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells measured after 2.5 hrs in presence of ATP by pre-transfer editing assay
50021036	3	ChEMBL_2430053	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of ATP/L-Met by ITC analysis
50021036	4	ChEMBL_2430059	Inhibition of Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells measured after 1.5 hrs in presence of ATP by pre-transfer editing assay
50021036	5	ChEMBL_2430060	Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ATP by ITC analysis
50021036	6	ChEMBL_2430064	Binding affinity to Enterococcus faecalis type 1 MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis
50021036	7	ChEMBL_2430069	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant by ITC analysis
50021036	8	ChEMBL_2430073	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 20 uM ATP by ITC analysis
50021036	9	ChEMBL_2430077	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 50 uM ATP by ITC analysis
50021036	10	ChEMBL_2430081	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 500 uM ATP by ITC analysis
50021036	11	ChEMBL_2430087	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM ADP by ITC analysis
50021036	12	ChEMBL_2430088	Binding affinity to Staphylococcus aureus MetRS expressed in Escherichia coli BL21(DE3) cells assessed as dissociation constant in presence of 1 mM AMP by ITC analysis
50021037	1	ChEMBL_2430105	Inhibition of PRMT1 (unknown origin) by AlphaLISA assay
50021037	2	ChEMBL_2430106	Inhibition of CARM1 (unknown origin) using histone H3 (21 to 44 residues) and SAM as substrates by AlphaLISA assay
50021037	3	ChEMBL_2430113	Inhibition of PRMT6 (unknown origin) by AlphaLISA assay
50021037	4	ChEMBL_2430114	Inhibition of PRMT8 (unknown origin) by AlphaLISA assay
50021037	5	ChEMBL_2430115	Inhibition of PRMT3 (unknown origin) by AlphaLISA assay
50021037	6	ChEMBL_2430116	Inhibition of PRMT5 (unknown origin) by AlphaLISA assay
50021037	7	ChEMBL_2430136	Inhibition of human PRMT4 (1 to 608 residues) methyltransferase activity using biotinylated peptide as substrate and SAM as cofactor incubated for 30 mins by [3H]SAM based scintillation proximity assay
50021037	8	ChEMBL_2430137	Inhibition of C-terminal FLAG-tagged N-terminal His tagged CARM1 (unknown origin) (2 to 585 residues) expressed in HEK293F cells using biotin-aminohexanoate-PRKQLATKAARMeKSAP-amide as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 2 hrs by Topcount reader based method
50021037	9	ChEMBL_2430138	Inhibition of PRMT1 (unknown origin) using SAM and histone (1 to 21 residues) as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by Topcount reader based analysis
50021037	10	ChEMBL_2430139	Inhibition of N-terminal GST-tagged human PRMT3 (2 to end residues) expressed in Escherichia coli using SAM and Histone (1 to 21 residues) as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by Topcount reader based analysis
50021037	11	ChEMBL_2430140	Inhibition of N-terminal FLAG tagged human PRMT4 (2 to end residues) expressed in FreeStyle 293-F cells using SAM and rHistone H3.1 as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by Topcount reader based analysis
50021037	12	ChEMBL_2430141	Inhibition of N-terminal His tagged human recombinant PRMT6 (2 to 375 residues) expressed in Escherichia coli using SAM and Histone (1 to 21 residues) as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by Topcount reader based analysis
50021037	13	ChEMBL_2430142	Inhibition of PRMT8 (unknown origin) using SAM and Histone (1 to 21 residues) as substrate preincubated for 60 mins followed by substrate addition and measured after 40 mins by Topcount reader based analysis
50021037	14	ChEMBL_2430143	Inhibition of human recombinant CARM1 using biotinylated peptide and [3H]SAM as substrates preincubated for 30 mins followed by [3H]SAM addition by Topcount reader based analysis
50021037	15	ChEMBL_2430144	Inhibition of human recombinant HDAC2 using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021037	16	ChEMBL_2430145	Inhibition of CARM1 (unknown origin)
50021038	1	ChEMBL_2430146	Inhibition of PRMT5 (unknown origin) by radiometric-based scintillation proximity assay
50021038	2	ChEMBL_2430147	Inhibition of wild type GST-tagged EGFR catalytic domain (unknown origin) expressed in insect cells using poly(Glu-Tyr) as substrate incubated for 6 mins by ELISA
50021038	3	ChEMBL_2430148	Inhibition of PRMT1 (unknown origin) using [3H]SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by microbeta scintillation counting analysis
50021038	4	ChEMBL_2430149	Inhibition of PRMT4 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA assay
50021038	5	ChEMBL_2430150	Inhibition of wild type GST-tagged HER2 catalytic domain (unknown origin) expressed in insect cells using poly(Glu-Tyr) as substrate incubated for 6 mins by ELISA
50021038	6	ChEMBL_2430151	Inhibition of wild type GST-tagged HER4 catalytic domain (unknown origin) expressed in insect cells using poly(Glu-Tyr) as substrate incubated for 6 mins by ELISA
50021043	1	ChEMBL_2430209	Inhibition of influenza A virus H5N1 Neuraminidase H274Y mutant using MUNANA as substrate
50021044	1	ChEMBL_2430212	Inhibition of human BChE using butyrylthiocholineiodide as substrate preincubated for 5 mins followed by substrate addition and measured immediately by Ellmans method
50021045	1	ChEMBL_2430284	Antagonist activity at CDCA-activated FXR-LBD (unknown origin) assessed as antagonistic rate by TR-FRET FXR coactivator assay relative to control
50021046	1	ChEMBL_2430334	Binding affinity to N-terminal His-tagged human recombinant Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant
50021046	2	ChEMBL_2430335	Inhibition of human recombinant Mcl-1 by Surface Plasmon Resonance assay
50021046	3	ChEMBL_2430343	Binding affinity to N-terminal GST-tagged human Mcl-1 expressed in Escherichia coli assessed as inhibition constant by TR-FRET analysis
50021046	4	ChEMBL_2430344	Inhibition of N-terminal GST-tagged human Mcl-1expressed in Escherichia coli by TR-FRET analysis
50021046	5	ChEMBL_2430348	Binding affinity to human Mcl-1 assessed as inhibition constant
50021046	6	ChEMBL_2430354	Binding affinity to Bcl-XL (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50021046	7	ChEMBL_2430355	Binding affinity to Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by fluorescence polarization assay
50021046	8	ChEMBL_2430356	Binding affinity to human Bcl-2 assessed as inhibition constant SPR assay
50021046	9	ChEMBL_2430357	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant by Fluorescence polarization assay
50021046	10	ChEMBL_2430358	Binding affinity to human Mcl-1 assessed as dissociation constant by Surface Plasmon Resonance assay
50021046	11	ChEMBL_2430367	Binding affinity to Mcl-1 (unknown origin) assessed as inhibition constant
50021046	12	ChEMBL_2430368	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant
50021046	13	ChEMBL_2430369	Binding affinity to Bcl-xL (unknown origin) assessed as inhibition constant
50021046	14	ChEMBL_2430370	Binding affinity to Bcl-W (unknown origin) assessed as inhibition constant
50021046	15	ChEMBL_2430371	Binding affinity to Bfl-1 (unknown origin) assessed as inhibition constant
50021046	16	ChEMBL_2430376	Inhibition of Mcl-1 (unknown origin)
50021046	17	ChEMBL_2430377	Binding affinity to Mcl-1 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021046	18	ChEMBL_2430378	Binding affinity to recombinant human Mcl-1 assessed as inhibition constant by fluorescence polarization assay
50021046	19	ChEMBL_2430379	Binding affinity to human recombinant Bcl-2 assessed as inhibition constant by fluorescence polarization assay
50021046	20	ChEMBL_2430380	Binding affinity to N-terminal His-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by Surface plasmon resonance assay
50021047	1	ChEMBL_2430627	Binding affinity to recombinant ATM (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50021047	2	ChEMBL_2430628	Inhibition of ATM (unknown origin) HTRF assay
50021049	1	ChEMBL_2430644	Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 residues) expressed in Escherichia coli Rosetta (DE3) using ADP as substrate incubated for 1 hr by luminescence based microplate reader analysis
50021049	2	ChEMBL_2430646	Binding affinity to N-terminal his6-tagged human recombinant NUDT5 (1 to 208 residues) expressed in Escherichia coli Rosetta (DE3) assessed as dissociation constant by SPR analysis
50021049	3	ChEMBL_2430647	Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 residues) expressed in Escherichia coli Rosetta (DE3) expressed in HEK293 cells incubated for 2 hrs by nanoBRET assay
50021049	4	ChEMBL_2430648	Antagonist activity at N-terminal his6-tagged human recombinant NUDT14 (1 to 222 residues) expressed in Escherichia coli Rosetta (DE3) using ADP as substrate incubated for 1 hr by luminescence based microplate reader analysis
50021049	5	ChEMBL_2430651	Inhibition of C-terminal Nanoluc-tagged BTK in HEK293 cells incubated for 1 hr by nanoBRET assay
50021052	1	ChEMBL_2430654	Inhibition of human LMP2 using Ac-PAL-AMC as substrate incubated for 1 hr by fluorescence based SpectraMax M5e plate reader
50021052	2	ChEMBL_2430658	Inhibition of human LMP2 using Ac-PAL-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 90 min by fluorescence based SpectraMax M5e plate reader
50021053	1	ChEMBL_2430716	Inhibition of human CA1 preincubated for 6 hrs by phenol red staining based stopped flow CO2 hydrase assay
50021053	2	ChEMBL_2430717	Inhibition of human CA2 preincubated for 6 hrs by phenol red staining based stopped flow CO2 hydrase assay
50021053	3	ChEMBL_2430718	Inhibition of human CA9 preincubated for 6 hrs by phenol red staining based stopped flow CO2 hydrase assay
50021053	4	ChEMBL_2430719	Inhibition of human CA12 preincubated for 6 hrs by phenol red staining based stopped flow CO2 hydrase assay
50021053	5	ChEMBL_2430724	Inhibition of hypoxia induced VEGFR-2 (unknown origin)
50021053	6	ChEMBL_2430809	Inhibition of human CA1 by stopped flow CO2 hydrase assay
50021053	7	ChEMBL_2430810	Inhibition of human CA1 preincubated for 10 mins by stopped flow CO2 hydrase assay
50021053	8	ChEMBL_2430811	Inhibition of VEGFR-2 (unknown origin)
50021054	1	ChEMBL_2430827	Displacement of [3H]-ketanserin from 5-HT2AR (unknown origin) assessed as inhibition constant by competitive binding assay
50021054	2	ChEMBL_2430830	Displacement of [125I]DOI from human 5-HT2AR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by scintillation counter
50021054	3	ChEMBL_2430831	Displacement of [125I]DOI from human 5-HT2BR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by scintillation counter
50021054	4	ChEMBL_2430832	Displacement of [125I]DOI from human 5-HT2CR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by scintillation counter
50021056	1	ChEMBL_2430838	Binding affinity to CBP BD (unknown origin) incubated for 2.5 hrs by Alphascreen assay
50021056	2	ChEMBL_2430931	Binding affinity to human CBP by ITC method
50021056	3	ChEMBL_2430932	Binding affinity to human p300 by ITC method
50021056	4	ChEMBL_2430933	Binding affinity to CBP (unknown origin) by SPR method
50021056	5	ChEMBL_2430934	Binding affinity to p300 (unknown origin) by SPR method
50021057	1	ChEMBL_2430935	Inhibition of mushroom tyrosinase diphenolase activity using L-dopamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based assay
50021057	2	ChEMBL_2430936	Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by absorbance based assay
50021057	3	ChEMBL_2430958	Binding affinity to tyrosinase (unknown origin) assessed as dissociation constant by SPR analysis
50021058	1	ChEMBL_2430959	Inhibition of recombinant IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by fluorescence microplate reader
50021058	2	ChEMBL_2430960	Inhibition of recombinant IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by fluorescence microplate reader
50021058	3	ChEMBL_2430961	Inhibition of wildtype IDH1 (unknown origin) using DL-isocitrate as substrate incubated for 60 mins in presence of NADP by fluorescence microplate reader
50021058	4	ChEMBL_2430962	Inhibition of NAMPT (unknown origin)
50021058	5	ChEMBL_2430964	Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate reader analysis
50021058	6	ChEMBL_2430965	Inhibition of IDH2 R172K mutant (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate reader analysis
50021058	7	ChEMBL_2430966	Inhibition of wildtype IDH2 (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate reader analysis
50021060	1	ChEMBL_2431049	Inhibition of PDE9A (181 to 506 residues) (unknown origin) using 3H-cGMP as substrate
50021060	2	ChEMBL_2431050	Inhibition of PDE1C2 (147 to 531 residues) (unknown origin) using 3H-cGMP as substrate incubated for 15 mins by liquid scintillation counter analysis
50021060	3	ChEMBL_2431052	Inhibition of PDE2A (580 to 919 residues) (unknown origin) using 3H-cGMP as substrate
50021060	4	ChEMBL_2431053	Inhibition of PDE3A (679 to 1087 residues) (unknown origin) using 3H-cAMP as substrate
50021060	5	ChEMBL_2431054	Inhibition of PDE4D (86 to 413 residues) (unknown origin) using 3H-cAMP as substrate
50021060	6	ChEMBL_2431055	Inhibition of PDE5A (535 to 860 residues) (unknown origin) using 3H-cGMP as substrate
50021060	7	ChEMBL_2431056	Inhibition of PDE7A (130 to 482 residues) (unknown origin) using 3H-cAMP as substrate
50021060	8	ChEMBL_2431057	Inhibition of PDE8A (480 to 820 residues) (unknown origin) using 3H-cAMP as substrate
50021060	9	ChEMBL_2431058	Inhibition of PDE10A (449 to 770 residues) (unknown origin) using 3H-cAMP as substrate
50021063	1	ChEMBL_2431107	Displacement of [125I]-1DMeNPFF from human NPFFR1 expressed in CHO cell membrane incubated for 1 hr by Topcount counting method
50021063	2	ChEMBL_2431109	Displacement of [125I]-1DMeNPFF from human NPFFR2 expressed in CHO cell membrane incubated for 1 hr by Topcount counting method
50021064	1	ChEMBL_2431203	Binding affinity to NSD2 (unknown origin) assessed as dissociation constant by SPR analysis
50021065	1	ChEMBL_2431214	Displacement of tracer 236 from CDK8/cyclin C (unknown origin) preincubated for 15 mins followed by tracer addition and measured after 60 mins by FRET based lanthascreen assay
50021065	2	ChEMBL_2431216	Inhibition of CDK8 (unknown origin) by HTRF assay
50021065	3	ChEMBL_2431217	Inhibition of CDK19 (unknown origin) by HTRF assay
50021065	4	ChEMBL_2431236	Inhibition of CDK7/cyclinH/MAT1 (unknown origin) by ADP-Glo chemiluminescence assay
50021065	5	ChEMBL_2431237	Inhibition of CDK2/cyclinA2 (unknown origin) by ADP-Glo chemiluminescence assay
50021065	6	ChEMBL_2431239	Inhibition of CDK2/cyclinE1 (unknown origin) by ADP-Glo chemiluminescence assay
50021065	7	ChEMBL_2431240	Inhibition of CDK5/p25NCK (unknown origin) by ADP-Glo chemiluminescence assay
50021065	8	ChEMBL_2431241	Inhibition of CDK5/p35NCK (unknown origin) by ADP-Glo chemiluminescence assay
50021065	9	ChEMBL_2431242	Inhibition of CDK8/CyclinC (unknown origin) by ADP-Glo chemiluminescence assay
50021065	10	ChEMBL_2431250	Inhibition of CDK8 (unknown origin) by ADP-Glo assay
50021065	11	ChEMBL_2431251	Inhibition of CDK19 (unknown origin) by ADP-Glo assay
50021065	12	ChEMBL_2431252	Inhibition of CLK1 (unknown origin) by ADP-Glo assay
50021065	13	ChEMBL_2431253	Inhibition of CLK2 (unknown origin) by ADP-Glo assay
50021065	14	ChEMBL_2431254	Inhibition of CLK4 (unknown origin) by ADP-Glo assay
50021065	15	ChEMBL_2431255	Inhibition of PIM2 (unknown origin) by ADP-Glo assay
50021065	16	ChEMBL_2431256	Inhibition of CSNK2A2 (unknown origin) by ADP-Glo assay
50021065	17	ChEMBL_2431257	Inhibition of CSNK1A1 (unknown origin) by ADP-Glo assay
50021065	18	ChEMBL_2431258	Inhibition of HIPK3 (unknown origin) by ADP-Glo assay
50021065	19	ChEMBL_2431259	Inhibition of DYRK1A (unknown origin) by ADP-Glo assay
50021065	20	ChEMBL_2431260	Inhibition of ROCK1 (unknown origin) by ADP-Glo assay
50021065	21	ChEMBL_2431261	Inhibition of HASPIN (unknown origin) by ADP-Glo assay
50021065	22	ChEMBL_2431262	Inhibition of TAOK1 (unknown origin) by ADP-Glo assay
50021065	23	ChEMBL_2431263	Inhibition of ERK8 (unknown origin) by ADP-Glo assay
50021065	24	ChEMBL_2431327	Inhibition of CDK8/CyclinC (unknown origin) incubated for 60 mins in presence of ATP by scintillation counting method
50021065	25	ChEMBL_2431328	Inhibition of CDK19/CyclinC (unknown origin) incubated for 60 mins in presence of ATP by scintillation counting method
50021066	1	ChEMBL_2431329	Inhibition of Bcl-2 (unknown origin) using (Ac-GQVGRQLAIIGDK (FITC) INR-amide) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50021066	2	ChEMBL_2431330	Inhibition of Bcl-Xl (unknown origin)
50021066	3	ChEMBL_2431333	Inhibition of Bcl-2 G101V mutant (unknown origin) using (Ac-GQVGRQLAIIGDK (FITC) INR-amide) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by TR-FRET assay
50021066	4	ChEMBL_2431343	Binding affinity to His-tagged Bcl-2 G101V mutant (unknown origin) by SPR method
50021067	1	ChEMBL_2431369	Inhibition of human IRAK4 using biotinylated peptide substrate incubated for 3 hrs by microplate reader assay
50021067	2	ChEMBL_2431419	Inhibition of FLT3 (unknown origin)
50021067	3	ChEMBL_2431420	Inhibition of TRKA (unknown origin)
50021067	4	ChEMBL_2431421	Inhibition of TRKB (unknown origin)
50021067	5	ChEMBL_2431422	Inhibition of HTR1B (unknown origin)
50021067	6	ChEMBL_2431423	Inhibition of ROCK1 (unknown origin)
50021068	1	ChEMBL_2431460	Inhibition of aromatase (unknown origin)
50021068	2	ChEMBL_2431465	Inhibition of mTOR (unknown origin) assessed as phosphorylation of S6
50021068	3	ChEMBL_2431472	Inhibition of CDK9 (unknown origin) by luciferase reporter gene assay
50021068	4	ChEMBL_2431477	Binding affinity to CB1 (unknown origin) assessed as inhibition constant
50021068	5	ChEMBL_2431478	Binding affinity to CB2 (unknown origin) assessed as inhibition constant
50021068	6	ChEMBL_2431482	Inhibition of c-Met (unknown origin) by kinome scan-based assay
50021068	7	ChEMBL_2431483	Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant
50021068	8	ChEMBL_2431484	Binding affinity to BRD2 BD2 (unknown origin) assessed as dissociation constant
50021071	1	ChEMBL_2431509	Inhibition of FGFR4 (unknown origin) by Z'-LYTE kinase assay
50021071	2	ChEMBL_2431510	Inhibition of FGFR1 (unknown origin) by Z'-LYTE kinase assay
50021071	3	ChEMBL_2431511	Inhibition of FGFR2 (unknown origin) by Z'-LYTE kinase assay
50021071	4	ChEMBL_2431512	Inhibition of FGFR3 (unknown origin) by Z'-LYTE kinase assay
50021072	1	ChEMBL_2431579	Inhibition of PARK7 (unknown origin) using DiFUMAc as substrate preincubated for 1 hrs followed by substrate addition and measured after 1 hrs by fluorescence plate reader analysis
50021073	1	ChEMBL_2431602	Binding affinity to human recombinant GCPIII assessed as dissociation constant by fluorescence polarization assay
50021073	2	ChEMBL_2431603	Binding affinity to human recombinant PSMA assessed as dissociation constant by fluorescence polarization assay
50021073	3	ChEMBL_2431608	Binding affinity to bovine serum albumin by fluorescence polarization assay
50021073	4	ChEMBL_2431610	Binding affinity to NKp46 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021073	5	ChEMBL_2431612	Binding affinity to IL-15 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021073	6	ChEMBL_2431614	Binding affinity to human FAP assessed as dissociation constant by fluorescence polarization assay
50021073	7	ChEMBL_2431615	Binding affinity to mouse FAP assessed as dissociation constant by fluorescence polarization assay
50021073	8	ChEMBL_2431616	Binding affinity to Urokinase (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021073	9	ChEMBL_2431619	Displacement of [177Lu]LU-PSMA-617 from human recombinant GCPIII assessed as dissociation constant by fluorescence polarization assay
50021073	10	ChEMBL_2431620	Displacement of [177Lu]LU-PSMA-617 from human recombinant PSMA assessed as dissociation constant by fluorescence polarization assay
50021075	1	ChEMBL_2431626	Agonist activity at mouse PIEZO1 transfected in HEK293-T-REx cells assessed as activation of intracellular Ca2+ level
50021075	2	ChEMBL_2431634	Agonist activity at human PIEZO1 overexpressing HEK293-A cells co-expressing mCherry-piezo1 assessed as induction of calcium influx by fluo-3 based real-time flow cytometric analysis
50021077	1	ChEMBL_2431712	Inhibition of IRAK4 (unknown origin)
50021080	1	ChEMBL_2431804	Inhibition of NAMPT (unknown origin) assessed as inhibition constant
50021080	2	ChEMBL_2431859	Inhibition of NAMPT (unknown origin) catalytic activity using PRPP as substrate incubated for 60 mins in presence of ATP by absorbance based microtiter plate reader analysis
50021081	1	ChEMBL_2431887	Inhibition of PTP1B (unknown origin) using DiFMUP as substrate incubated for 10 mins by fluorescence based analysis
50021082	1	ChEMBL_2431942	Antagonist activity at CCR6 in C57BL/6J mouse whole blood assessed as inhibition of CCL20-stimulated receptor internalization in lymphocytes incubated for 40 mins followed by CCL20 addition and measured after 40 mins by flow cytometry
50021082	2	ChEMBL_2431951	Insurmountable antagonist activity at human CCR6 expressed in HEK293 cells co-transfected with firefly luciferase gene assessed as inhibition of CCL20-induced maximal HTRF ratio in presence of fluorescent-labeled human CCL20 by TR-FRET assay
50021082	3	ChEMBL_2431972	Inhibition of human MDR1
50021082	4	ChEMBL_2431973	Inhibition of OATP1B1 (unknown origin)
50021082	5	ChEMBL_2431974	Inhibition of OATP1B3 (unknown origin)
50021084	1	ChEMBL_2432003	Inhibition of PAD2 (unknown origin) using Nalpha-benzoyl-L-arginine ethyl ester as substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by colorimetric analysis
50021084	2	ChEMBL_2432004	Inhibition of PAD4 (unknown origin) using Nalpha-benzoyl-L-arginine ethyl ester as substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by colorimetric analysis
50021085	1	ChEMBL_2432058	Binding affinity to human IL-1 beta expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by 2D NMR titration based analysis
50021085	2	ChEMBL_2432061	Binding affinity to C-terminally avi-tagged human IL-1 beta assessed as dissociation constant by surface plasmon resonance analysis
50021085	3	ChEMBL_2432064	Antagonist activity at human recombinant His-tagged wild type IL-1 beta assessed as inhibition of IL-1 beta/Alexa 647 labeled human IL-1R1 (1 to 332) interaction preincubated with IL-1 beta for 1 hr followed by IL-1R1 addition and measured after 1 hr by TR-FRET assay
50021085	4	ChEMBL_2432065	Antagonist activity at human IL-1 beta assessed as inhibition of interaction of IL-1beta/IL-1R1 expressed in HEK293-Blue cells by measuring reduction in SEAP activity preincubated with IL-1 beta for 1 hr followed by incubation with cells and measured after overnight by reporter gene assay
50021085	5	ChEMBL_2432066	Antagonist activity at human IL-1 beta assessed as inhibition of interaction of IL-1 beta/IL-1R1 expressed in NHDF cells by measuring reduction in IL-6 production preincubated with IL-1 beta for 1 hr followed by incubation with cells and measured after 6 hrs by ELISA
50021085	6	ChEMBL_2432067	Displacement of (S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)indolin-2-one from biotinylated His6-tagged human IL-1 beta (117 to 269 residues) expressed in Escherichia coli BL21(DE3) by 19F NMR displacement assay
50021085	7	ChEMBL_2432068	Antagonist activity at human recombinant His-tagged wild type IL-1 alpha assessed as inhibition of IL-1 alpha/Alexa 647 labeled human IL-1R1 (1 to 332) interaction preincubated with IL-1 alpha for 1 hr followed by IL-1R1 addition and measured after 1 hr by TR-FRET assay
50021086	1	ChEMBL_2432076	Inhibition of PDE3A (unknown origin)
50021087	1	ChEMBL_2432156	Displacement of tetra-acetylated H4 peptide from ATAD2B (unknown origin)
50021087	2	ChEMBL_2432157	Binding affinity to human ATAD2 BRD assessed as dissociation constant by isothermal titration calorimetry
50021087	3	ChEMBL_2432158	Binding affinity to human ATAD2B BRD assessed as dissociation constant by isothermal titration calorimetry
50021088	1	ChEMBL_2432193	Inhibition of EGFR (cytoplasmic domain from 669 to 1210) (unknown origin) using Tk-peptide substrate pretreated for 10 mins followed by substrate addition incubated for 20 mins by homogeneous time-resolved fluorescence (HTRF) assay
50021088	2	ChEMBL_2432196	Inhibition of PD-1/PD-L1 (unknown origin) interaction assessed as inhibition rate incubated for 1 hr by HTRF assay relative to control
50021088	3	ChEMBL_2432212	Binding affinity to recombinant human PD-L1 expressed in HEK293 cells by SPR analysis
50021088	4	ChEMBL_2432213	Binding affinity to recombinant mouse His-tagged PD-L1 expressed in HEK293 cells by SPR analysis
50021089	1	ChEMBL_2432258	Activation of AMPK alpha1/AMPKbeta1/AMPKgamma1 (unknown origin) using SAMS peptide as substrate incubated for 20 mins in presence of [gamma-32P]ATP by scintillation counter analysis
50021090	1	ChEMBL_2432378	Agonist activity at human TLR7 in HEK-Blue hTLR7 cells assessed as increase in inducible SEAP level incubated for overnight by QUANTI-Blue reagent based assay
50021090	2	ChEMBL_2432379	Agonist activity at human TLR8 in HEK-Blue hTLR8 cells assessed as increase in inducible SEAP level incubated for overnight by QUANTI-Blue reagent based assay
50021091	1	ChEMBL_2432414	Inhibition of NSD3 PWWP1 domain (unknown origin) by TR-FRET assay
50021091	2	ChEMBL_2432415	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR analysis
50021091	3	ChEMBL_2432416	Inhibition of NSD2 PWWP1 domain (unknown origin) by alphascreen assay
50021091	4	ChEMBL_2432417	Inhibition of NSD2 PWWP1 domain (unknown origin) by NanoBRET target engagement assay
50021097	1	ChEMBL_2432418	Agonist activity at human alpha9 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	2	ChEMBL_2432420	Agonist activity at human alpha9alpha10 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	3	ChEMBL_2432422	Agonist activity at human alpha7 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	4	ChEMBL_2432424	Partial agonist activity at human alpha9 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	5	ChEMBL_2432426	Partial agonist activity at human alpha9alpha10 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	6	ChEMBL_2432428	Partial agonist activity at human alpha7 nAChR expressed as xenopus laevis oocytes assessed as increase in receptor desensitization measured after 120 secs by two-electrode voltage-clamp electrophysiology method
50021097	7	ChEMBL_2432430	Agonist activity at alpha9 nAChR (unknown origin)
50021097	8	ChEMBL_2432432	Agonist activity at alpha9alpha10 nAChR (unknown origin)
50021097	9	ChEMBL_2432434	Agonist activity at alpha7 nAChR (unknown origin)
50021098	1	ChEMBL_2432487	Inhibition of PD-L1 (unknown origin) by HTRF assay
50021098	2	ChEMBL_2432488	Binding affinity to recombinant human CXCL12 expressed in Escherichia coli assessed as dissociation constant incubated for 0.5 hrs by SPR analysis
50021098	3	ChEMBL_2432489	Inhibition of HDAC6 (unknown origin) by HTRF assay
50021098	4	ChEMBL_2432491	Inhibition of PD-L1 (unknown origin) incubated for 15 mins by HTRF assay
50021098	5	ChEMBL_2432492	Inhibition of recombinant NAMPT (unknown origin) incubated for 30 mins by absorbance based assay
50021098	6	ChEMBL_2432493	Inhibition of His-tagged PD-1/PD-L1 (unknown origin) interaction incubated for 15 mins by HTRF assay
50021098	7	ChEMBL_2432494	Inhibition of CD73 (unknown origin)
50021098	8	ChEMBL_2432495	Inhibition of PD-1/PD-L1 (unknown origin) interaction by HTRF assay
50021098	9	ChEMBL_2432496	Inhibition of CD73 (unknown origin) preincubated for 15 mins followed by AMP addition measured after 60 mins by colorimetry
50021098	10	ChEMBL_2432497	Binding affinity to recombinant human PD-L1 (1 to 238 residues) extracellular domain expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50021098	11	ChEMBL_2432498	Binding affinity to C-terminal polyhis-tagged recombinant mouse PD-L1 (1 to 238 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50021098	12	ChEMBL_2432499	Binding affinity to C-terminal 6xHis-tagged recombinant human CD73 (27 to 547 residues) expressed in mammalian expression system assessed as dissociation constant by SPR analysis
50021098	13	ChEMBL_2432500	Binding affinity to C-terminal 6xHis-tagged recombinant mouse CD73 (29 to 550 residues) expressed in mammalian expression system assessed as dissociation constant by SPR analysis
50021098	14	ChEMBL_2432505	Inhibition of protein-protein interaction of PD-1 (unknown origin) overexpressed in human Jurkat cells overexpressing NFAT/PD-L1 (unknown origin) overexpressed in CHO cells overexpressing TCR ligand preincubated with CHO cells for 0.5 hrs followed by Jurkat cells addition incubated for 5 hrs by luciferase reporter gene assay
50021100	1	ChEMBL_2432540	Inhibition of NLRP3 inflammasome activation in LPS/ATP-induced C57BL/6 mouse BMDMs assessed as reduction in IL-1beta secretion preincubated with LPS for 4 hrs followed by compound addition for 30 mins and further stimulated with ATP for 30 mins by ELISA
50021100	2	ChEMBL_2432570	Binding affinity to NLRP3 (unknown origin) expressed in HEK293T cells incubated for 30 mins by MST assay
50021100	3	ChEMBL_2432607	Inhibition of NLRP3 inflammasome activation in mouse BMDM preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 60 mins by ELISA
50021100	4	ChEMBL_2432608	Inhibition of NLRP3 inflammasome activation in mouse J774.A1 cells preincubated with LPS for 4.5 hrs followed by compound addition for 30 mins and further stimulated with ATP for 30 mins by ELISA
50021100	5	ChEMBL_2432609	Inhibition of NLRP3 inflammasome activation in mouse J774.A1 cells
50021100	6	ChEMBL_2432610	Inhibition of NLRP3 inflammasome activation in mouse BMDMs
50021100	7	ChEMBL_2432611	Inhibition of mouse NLRP3 inflammasome expressed in NG5 cells
50021101	1	ChEMBL_2432612	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr by ADP-Glo assay
50021101	2	ChEMBL_2432613	Inhibition of PI3Kdelta (unknown origin)
50021101	3	ChEMBL_2432624	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr by ADP-Glo assay
50021101	4	ChEMBL_2432625	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr by ADP-Glo assay
50021101	5	ChEMBL_2432626	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hr by ADP-Glo assay
50021102	1	ChEMBL_2432664	Inhibition of 6His-tagged TEV-GS fused EGFR D770_N771insNPG mutant (G696 to G1210 reisudes) (unknown origin) expressed in Sf21 cells using Poly(Glu,Tyr) peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins in presence of ATP by ADP-Glo reagent based assay
50021102	2	ChEMBL_2432665	Inhibition of recombinant wildtype human N-terminal GST-tagged EGFR cytoplasmic domain (669 to 1210 residues) expressed in Sf21 insect cells using Poly(Glu,Tyr) peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 50 mins in presence of ATP by ADP-Glo reagent based assay
50021102	3	ChEMBL_2432669	Inhibition of wildtype EGFR (unknown origin) phosphorylation transfected in human NCI-H2073 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by HTRF assay
50021102	4	ChEMBL_2432670	Inhibition of EGFR D770_N771insSVD mutant (unknown origin) phosphorylation transfected in human NCI-H2073 cells incubated for 2 hrs by HTRF assay
50021102	5	ChEMBL_2432684	Inhibition of wildtype EGFR (unknown origin) phosphorylation transfected in human NCI-H2073 cells preincubated for 2 hrs followed by EGF stimulation for 10 mins by ELISA
50021102	6	ChEMBL_2432685	Inhibition of EGFR D770_N771insSVD mutant (unknown origin) phosphorylation transfected in human NCI-H2073 cells incubated for 2 hrs by ELISA
50021102	7	ChEMBL_2432694	Inhibition of BTK (unknown origin)
50021102	8	ChEMBL_2432695	Inhibition of ERBB4 (unknown origin)
50021102	9	ChEMBL_2432696	Inhibition of BMX (unknown origin)
50021102	10	ChEMBL_2432697	Inhibition of ERBB2 (unknown origin)
50021103	1	ChEMBL_2432819	Inhibition of YTHDC1 (unknown origin)
50021103	2	ChEMBL_2432820	Binding affinity to YTHDC1 (unknown origin) assessed as dissociation constant
50021103	3	ChEMBL_2432821	Binding affinity to YTHDC1 (unknown origin) assessed as equilibrium dissociation constant by ITC analysis
50021103	4	ChEMBL_2432822	Inhibition of GST-tagged YTHDC1 (unknown origin) by HTRF assay
50021103	5	ChEMBL_2432825	Inhibition of GST-tagged YTHDF1 (unknown origin) by HTRF assay
50021103	6	ChEMBL_2432826	Inhibition of GST-tagged YTHDF2 (unknown origin) by HTRF assay
50021103	7	ChEMBL_2432827	Inhibition of GST-tagged YTHDF3 (unknown origin) by HTRF assay
50021104	1	ChEMBL_2432912	Inhibition of N-terminal GST-tagged recombinant human TYK2 (871 to 1187 residues) expressed in Sf21 cells using polyGT substrate incubated for 120 mins in presence of ATP by Topcount method
50021104	2	ChEMBL_2432913	Inhibition of GST-tagged recombinant human JAK1 (866 to 1154 residues) expressed in insect cells using Ulight-JAK1 (tyr1023) peptide as substrate incubated for 60 mins in presence of ATP by plate reader assay
50021104	3	ChEMBL_2432914	Inhibition of GST-tagged recombinant human JAK2 (808 to 1132 residues) expressed in insect cells using Ulight-JAK1 (tyr1023) peptide as substrate incubated for 60 mins in presence of ATP by plate reader assay
50021104	4	ChEMBL_2432915	Inhibition of N-terminal His-tagged recombinant human JAK3 (795 to 1124 residues) expressed in Sf21 cells using polyGT as substrate incubated for 45 mins in presence of ATP by Topcount method
50021104	5	ChEMBL_2432937	Inhibition of JAK1/TYK2 in human PBMCs assessed as reduction in IFNalpha induced STAT1 phosphorylation preincubated for 30 mins followed by IFNalpha addition and measured after 30 mins by FACS cytometer analysis
50021104	6	ChEMBL_2432938	Inhibition of JAK1/JAK3 in human PBMCs assessed as reduction in IL-2 induced STAT5 phosphorylation preincubated for 30 mins followed by IIL-2 addition and measured after 30 mins by FACS cytometer analysis
50021104	7	ChEMBL_2432939	Inhibition of JAK2 in human PBMCs assessed as reduction in GM/CSF induced STAT5 phosphorylation preincubated for 30 mins followed by IFNalpha addition and measured after 30 mins by FACS cytometer analysis
50021104	8	ChEMBL_2432940	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT1 phosphorylation preincubated for 30 mins followed by IFNalpha addition and measured after 20 mins by flow cytometer analysis
50021104	9	ChEMBL_2432941	Inhibition of JAK1 in human whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 30 mins followed by IL-6 addition and measured after 20 mins by flow cytometer analysis
50021104	10	ChEMBL_2432942	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2 induced STAT5 phosphorylation preincubated for 30 mins followed by IIL-2 addition and measured after 20 mins by flow cytometer analysis
50021104	11	ChEMBL_2432943	Inhibition of JAK2 in human whole blood assessed as reduction in GM-CSF induced STAT5 phosphorylation preincubated for 30 mins followed by GM-CSF addition and measured after 20 mins by flow cytometer analysis
50021104	12	ChEMBL_2432972	Inhibition of AURKB (unknown origin)
50021104	13	ChEMBL_2432973	Inhibition of FLT3 (unknown origin)
50021104	14	ChEMBL_2432974	Inhibition of FLT4 (unknown origin)
50021105	1	ChEMBL_2432996	Displacement of [3H]-imipramine from human 5-HT transporter expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by competition binding based scintillation counter analysis
50021105	2	ChEMBL_2432999	Displacement of [125I]DOI from human 5-HT2A receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by competition binding based scintillation counter analysis
50021105	3	ChEMBL_2433002	Displacement of [3H]7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by competition binding based scintillation counter analysis
50021105	4	ChEMBL_2433004	Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by competition binding based scintillation counter analysis
50021105	5	ChEMBL_2433007	Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 120 mins by competition binding based scintillation counter analysis
50021106	1	ChEMBL_2433074	Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK293 cells assessed as apparent dissociation constant incubated for 2 hrs by NanoBRET assay
50021106	2	ChEMBL_2433075	Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK293 cells assessed as apparent dissociation constant incubated for 30 mins in presence of digitonin by NanoBRET assay
50021106	3	ChEMBL_2433076	Binding affinity to Navi-tagged VHL (unknown origin) assessed as dissociation constant by SPR assay
50021107	1	ChEMBL_2433123	Inhibition of alpha1A adrenoreceptor (unknown origin)
50021107	2	ChEMBL_2433125	Inhibition of alpha2A adrenoreceptor (unknown origin)
50021107	3	ChEMBL_2433127	Inhibition of 5HT-2A (unknown origin)
50021107	4	ChEMBL_2433129	Inhibition of androgen nuclear hormone receptor (unknown origin)
50021107	5	ChEMBL_2433131	Inhibition of COX-1 (unknown origin)
50021107	6	ChEMBL_2433133	Inhibition of COX-2 (unknown origin)
50021107	7	ChEMBL_2433135	Inhibition of dopamine transporter (unknown origin)
50021107	8	ChEMBL_2433137	Inhibition of norepinephrine transporter (unknown origin)
50021107	9	ChEMBL_2433141	Inhibition of Nav1.5 sodium ion channel (unknown origin)
50021108	1	ChEMBL_2433156	Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells assessed as dissociation constant incubated for 1.5 hrs by radioligand binding assay
50021108	2	ChEMBL_2433157	Displacement of [3H]Naloxone from mouse MOR expressed in CHO cells assessed as dissociation constant incubated for 1.5 hrs by radioligand binding assay
50021108	3	ChEMBL_2433158	Displacement of [3H]diprenorphine from human DOR expressed in CHO cells assessed as dissociation constant incubated for 1.5 hrs by radioligand binding assay
50021108	4	ChEMBL_2433161	Binding affinity to KOR (unknown origin) assessed as dissociation constant
50021108	5	ChEMBL_2433162	Binding affinity to MOR (unknown origin) assessed as dissociation constant
50021108	6	ChEMBL_2433163	Binding affinity to DOR (unknown origin) assessed as dissociation constant
50021109	1	ChEMBL_2433272	Inhibition of sQC (unknown origin) expressed in Escherichia coli Transetta (DE3) assessed as N-terminal pyroglutamate formation using fluorescent substrate H-Gln-AMC incubated for 12 hrs by microplate reader
50021109	2	ChEMBL_2433273	Inhibition of gQC (unknown origin) expressed in Escherichia coli Transetta (DE3) assessed as N-terminal pyroglutamate formation using fluorescent substrate H-Gln-AMC incubated for 12 hrs by microplate reader
50021109	3	ChEMBL_2433313	Binding affinity to sQC (unknown origin) assessed as inhibition constant
50021109	4	ChEMBL_2433314	Binding affinity to gQC (unknown origin) assessed as inhibition constant
50021109	5	ChEMBL_2433315	Binding affinity to sQC (unknown origin) assessed as inhibition constant at pH 6
50021109	6	ChEMBL_2433316	Binding affinity to gQC (unknown origin) assessed as inhibition constant at pH 8
50021110	1	ChEMBL_2433318	Inhibition of MAT2A (unknown origin) assessed as release of inorganic phosphate using ATP/L-methionine incubated for 30 mins by colorimetric phosphate assay
50021110	2	ChEMBL_2433320	Inhibition of MAT2A in MTAP-knock out human HCT-116 cells assessed as reduction in PRMT5-mediated symmetrical demethylation of arginine (SDMA) measured after 96 hrs
50021111	1	ChEMBL_2433402	Inhibition of wild-type HER2 phosphorylation in human BT-474 cells incubated for 1 hr by In-cell Western assay
50021111	2	ChEMBL_2433404	Inhibition of wild-type human EGFR phosphorylation expressed in mouse NIH3T3 cells incubated for 1 hr by ELISA
50021114	1	ChEMBL_2433535	Displacement of [3H] dopamine from DAT in HEK293 cells incubated for 1 hr by topcount plate reader analysis
50021114	2	ChEMBL_2433536	Displacement of [3H] dopamine from DAT in HEK293 cells assessed as inhibition constant incubated for 1 hr by topcount plate reader analysis
50021114	3	ChEMBL_2433537	Displacement of [3H] dopamine from DAT in HEK293 cells incubated for 15 mins by microbeta analysis
50021115	1	ChEMBL_2433555	Inhibition of recombinant Plasmodium falciparum FP2 using ZFR-AMC as substrate incubated for 10 mins by fluorescence based assay
50021116	1	ChEMBL_2433665	Inhibition of LasR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1
50021116	2	ChEMBL_2433675	Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1-L
50021116	3	ChEMBL_2433676	Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PA14 assessed as reduction in AQ level at 0.2 uM by LCMS/MS analysis
50021116	4	ChEMBL_2433677	Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1 assessed as reduction in AQ level at 0.2 uM by LCMS/MS analysis
50021116	5	ChEMBL_2433686	Inhibition of PqsR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 assessed as reduction in pyocyanin production
50021118	1	ChEMBL_2433771	Binding affinity to human MT1 receptor expressed in COS-7 cells assessed as inhibition constant
50021118	2	ChEMBL_2433772	Binding affinity to human MT2 receptor expressed in COS-7 cells assessed as inhibition constant
50021118	3	ChEMBL_2433774	Binding affinity to MT1 (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50021118	4	ChEMBL_2433775	Binding affinity to MT2 (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50021118	5	ChEMBL_2433777	Binding affinity to MT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50021118	6	ChEMBL_2433778	Binding affinity to MT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50021118	7	ChEMBL_2433779	Binding affinity to human MT1 receptor expressed in CHO cells assessed as inhibition constant by FLIPR assay
50021118	8	ChEMBL_2433780	Binding affinity to human MT2 receptor expressed in CHO cells assessed as inhibition constant by FLIPR assay
50021118	9	ChEMBL_2433781	Binding affinity to human MT1 receptor assessed as inhibition constant
50021118	10	ChEMBL_2433782	Binding affinity to human MT2 receptor assessed as inhibition constant
50021118	11	ChEMBL_2433783	Binding affinity to human MT1 receptor expressed in CHO cells assessed as inhibition constant by HTRF method
50021118	12	ChEMBL_2433784	Binding affinity to human MT2 receptor expressed in CHO cells assessed as inhibition constant by HTRF method
50021121	1	ChEMBL_2433789	Inhibition of ASK1 (unknown origin)
50021121	2	ChEMBL_2433790	Inhibition of human ASK1
50021121	3	ChEMBL_2433793	Inhibition of ASK1 (unknown origin) incubated for 2 hrs by TR-FRET assay
50021121	4	ChEMBL_2433794	Inhibition of ASK1 in HEK293 cells
50021121	5	ChEMBL_2433803	Inhibition of ASK1 (unknown origin) incubated for 0.5 to 5 hrs by TR-FRET assay
50021121	6	ChEMBL_2433804	Inhibition of ASK1 (unknown origin) preincubated with compound for 30 mins followed by ATP addition and measured after 120 mins by HTRF analysis
50021121	7	ChEMBL_2433805	Inhibition of ASK1 (unknown origin) incubated for 120 mins
50021121	8	ChEMBL_2433806	Inhibition of full length GST-tagged recombinant human ASK1 using MBP as substrate incubated for 20 mins
50021121	10	ChEMBL_2433808	Inhibition of ASK1 (unknown origin) incubated for 2 hrs
50021121	11	ChEMBL_2433809	Inhibition of ASK1 phosphorylation in HEK293T cells incubated for 1 hr
50021121	12	ChEMBL_2433811	Inhibition of human recombinant ASK1 by HTRF assay
50021121	14	ChEMBL_2433817	Inhibition of N-terminal his-tagged human ASK1 (649 to 946 residues) expressed in Escherichia coli using [gamma-32p]ATP as substrate by liquid scintillation counting analysis
50021123	1	ChEMBL_2433819	Inhibition of human EGFR L858R mutant by discoverX kinome scan assay
50021123	2	ChEMBL_2433821	Inhibition of VEGFR2 (unknown origin)
50021123	3	ChEMBL_2433822	Inhibition of PDGFRbeta (unknown origin) by enzymatic assay
50021123	4	ChEMBL_2433823	Inhibition of human recombinant VEGFR1
50021123	5	ChEMBL_2433824	Inhibition of mouse recombinant VEGFR2 (785 to 1367 residues) in presence of ATP by HTRF assay
50021123	6	ChEMBL_2433825	Inhibition of mouse recombinant VEGFR3 (818 to 1363 residues) in presence of ATP by HTRF assay
50021123	7	ChEMBL_2433826	Inhibition of human recombinant PDGFRbeta (561 to 1106) by HTRF assay
50021123	8	ChEMBL_2433827	Inhibition of human recombinant KIT (544 to 976 residues) by HTRF assay
50021123	9	ChEMBL_2433828	Inhibition of human recombinant RAF-1 (305 to 648 residues) by HTRF assay
50021123	10	ChEMBL_2433829	Inhibition of RET (unknown origin)
50021123	11	ChEMBL_2433831	Inhibition of human recombinant VEGFR1 by FRET based Z-LYTE kinase assay
50021123	12	ChEMBL_2433832	Inhibition of human recombinant VEGFR2 by FRET based Z-LYTE kinase assay
50021123	13	ChEMBL_2433833	Inhibition of human recombinant VEGFR3 by FRET based Z-LYTE kinase assay
50021125	1	ChEMBL_2433834	Inhibition of SARS-CoV-2 Main protease using peptide substrate assessed as fluorescence of cleaves substrate
50021125	2	ChEMBL_2433836	Inhibition of SARS-CoV-2 3CLp using fluorescent substrate by FRET assay
50021125	3	ChEMBL_2433838	Inhibition of SARS-CoV-2 3-chymotrypsin-like protease assessed as inhibition constant
50021125	4	ChEMBL_2433842	Inhibition of recombinant SARS-CoV-2 3CLp using fluorogenic substrate by microplate reader
50021125	5	ChEMBL_2433846	Inhibition of 2019-nCoV-2 3CLp using fluorescent substrate by FRET assay
50021125	6	ChEMBL_2433874	Inhibition of SARS-CoV-2 3CLp by mass spectrometry
50021125	7	ChEMBL_2433881	Inhibition of SARS-CoV-2 3CLp using fluorogenic substrate by Shuanghuanglian-preparation based assay
50021125	8	ChEMBL_2433882	Inhibition of SARS-CoV-2 eGFP-Main protease transfected in 293T cells assessed as fluorescent intensity
50021125	9	ChEMBL_2433885	Inhibition of SARS-CoV-2 recombinant 3CLpro using fluorogenic substrate (Dabcyl-KTSAVLQ]SGFRK M-E
50021125	10	ChEMBL_2433886	Inhibition of SARS-CoV-2 Main protease assessed as hydrolysis of quenched fluorogenic substrate
50021125	11	ChEMBL_2433887	Inhibition of recombinant SARS-CoV2 6xHis-tag-Main protease containing modified HRV-3C expressed in Escherichia coli using Mca-AVLQSGFR-K(Dnp)K peptide substrate assessed as fluorescent intensity
50021125	12	ChEMBL_2433888	Inhibition of SARS-CoV-2 Main protease using DABCYL-KTSAVLQ-SGFRKM-E(EDANS) tri-fuoroacetate salt
50021125	13	ChEMBL_2433889	Inhibition of SARS-CoV-2 recombinant main protease
50021125	14	ChEMBL_2433892	Inhibition of SARS-CoV-2 3CLp
50021128	1	ChEMBL_2433894	Inhibition of DOT1L (unknown origin)
50021128	2	ChEMBL_2433895	Displacement of [3H-SAM] from PRC2-EZH2 (unknown origin) measured after 2 hrs by SPA method
50021128	3	ChEMBL_2433896	Displacement of [3H-SAM] from PRC2-EZH1 (unknown origin) measured after 2 hrs by SPA method
50021128	4	ChEMBL_2433897	Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate
50021128	5	ChEMBL_2433898	Inhibition of G9a in human MDA-MB-231 cells assessed as decrease in H3K9Me2 level by ICW assay
50021128	6	ChEMBL_2433903	Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate
50021128	7	ChEMBL_2433904	Inhibition of PRMT4 (unknown origin) by HotSpot profiling analysis
50021128	8	ChEMBL_2433905	Inhibition of PRMT5 (unknown origin) by HotSpot profiling analysis
50021128	9	ChEMBL_2433907	Displacement of [3H-SAM] from full-length EZH1 (2 to 746 residues) (unknown origin) using a core histone substrate
50021128	10	ChEMBL_2433908	Displacement of [3H-SAM] from full-length EZH2 (2 to 746 residues) (unknown origin) using a core histone substrate
50021128	11	ChEMBL_2433912	Inhibition of EZH2 (unknown origin)
50021130	1	ChEMBL_2434034	Antagonist activity at P2X7R (unknown origin)
50021130	2	ChEMBL_2434035	Inhibition of OGT (unknown origin)
50021130	3	ChEMBL_2434041	Binding affinity to GFP tagged STAT3 (unknown origin) assessed as dissociation constant by microscale thermophoresis analysis
50021130	4	ChEMBL_2434042	Inhibition of STAT3 (unknown origin)
50021130	5	ChEMBL_2434043	Binding affinity to N-terminal his tagged recombinant human STAT3 expressed in insect cells assessed as dissociation constant by biolayer interferometry assay
50021130	6	ChEMBL_2434044	Inhibition of PLD1 (unknown origin)
50021130	7	ChEMBL_2434045	Inhibition of PLD2 (unknown origin)
50021131	1	ChEMBL_2434051	Binding affinity to human MDM2 assessed as inhibition constant
50021132	1	ChEMBL_2434055	Inhibition of VHL (unknown origin)
50021132	2	ChEMBL_2434056	Binding affinity to VHL (unknown origin) assessed as dissociation constant
50021132	3	ChEMBL_2434057	Inhibition of VHL/Elongin B/Elogin C (unknown origin) using FAM-DEALA-Hyp-YIPD as substrate by fluorescence polarization assay
50021132	4	ChEMBL_2434058	Inhibition of VHL (unknown origin) (1 to 213 residues)/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) using (FAM)-labeled HIF-1alpha peptide as substrate incubated for 2 hrs by fluorescence polarization assay
50021132	5	ChEMBL_2434075	Inhibition of NanoLuc-fused VHL (unknown origin) transfected in live HEK293 cells using NanoGlo as substrate incubated for 1 hrs by tracer based NanoBRET assay
50021132	6	ChEMBL_2434076	Binding affinity to NanoLuc-fused VHL (unknown origin) transfected in live HEK293 cells using NanoGlo as substrate assessed as dissociation constant incubated for 1 hrs by tracer based NanoBRET assay
50021132	7	ChEMBL_2434077	Binding affinity to VHL (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021134	1	ChEMBL_2434101	Inhibition of Aurora-B (unknown origin)
50021134	2	ChEMBL_2434102	Inhibition of PLK4 (unknown origin)
50021134	3	ChEMBL_2434106	Binding affinity to PLK4 (unknown origin) assessed as inhibition constant
50021134	4	ChEMBL_2434107	Inhibition of Aurora-A (unknown origin) by kinase-glo luminescent assay
50021134	5	ChEMBL_2434108	Inhibition of Aurora-C (unknown origin)
50021134	6	ChEMBL_2434109	Inhibition of PAK4 (unknown origin) incubated for 60 mins by HTRF assay
50021134	7	ChEMBL_2434110	Inhibition of PLK4 (unknown origin) by discoverX kinome scan assay
50021134	8	ChEMBL_2434116	Binding affinity to full length PLK4 (unknown origin) using (TPSDSLIYDDGLS) biotinylated peptide as substrate assessed as inhibition constant
50021134	9	ChEMBL_2434117	Inhibition of full length PLK1 (unknown origin)
50021134	10	ChEMBL_2434118	Inhibition of full length PLK2 (unknown origin)
50021134	11	ChEMBL_2434119	Inhibition of full length PLK3 (unknown origin)
50021137	1	ChEMBL_2434120	Inhibition of HDAC6 (unknown origin) preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50021137	2	ChEMBL_2434121	Inhibition of PD-1/PDL1 interaction (unknown origin) in by HTRF assay
50021137	3	ChEMBL_2434141	Inhibition of HDAC1 (unknown origin)
50021137	4	ChEMBL_2434142	Inhibition of HDAC2 (unknown origin)
50021137	5	ChEMBL_2434143	Inhibition of HDAC3 (unknown origin)
50021140	1	ChEMBL_2434154	Inhibition of human N-terminal Hsp90alpha (9 to 236 residues) expressed in Escherichia coli BL21 DE3 cells incubated for 24 hrs by fluorescence polarization assay
50021140	2	ChEMBL_2434161	Inhibition of human recombinant CDK2 expressed in insect cells
50021140	3	ChEMBL_2434162	Inhibition of human recombinant CDK9 (773 to 928 residues) expressed in insect cells
50021140	4	ChEMBL_2434163	Inhibition of CDK2 (unknown origin)
50021140	5	ChEMBL_2434164	Inhibition of CDK9 (unknown origin)
50021140	6	ChEMBL_2434165	Binding affinity to human wild type cyclophilin A expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by TR-FRET assay
50021143	1	ChEMBL_2434177	Inhibition of recombinant MMP-2 (unknown origin) by ELISA
50021143	2	ChEMBL_2434178	Inhibition of recombinant MMP-2 (unknown origin)
50021143	3	ChEMBL_2434179	Inhibition of recombinant MMP-13 (unknown origin)
50021143	4	ChEMBL_2434180	Inhibition of MMP-9 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate measured for 3 mins by fluorimetric assay
50021143	5	ChEMBL_2434181	Inhibition of human recombinant MMP-13 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate by fluorimetric assay
50021143	6	ChEMBL_2434182	Inhibition of MMP-10 (unknown origin) using 5-FAM-Pro-Leu-OH as substrate by fluorimetric assay
50021143	7	ChEMBL_2434183	Inhibition of MMP-2 (unknown origin)
50021143	8	ChEMBL_2434184	Inhibition of MMP-9 (unknown origin)
50021143	9	ChEMBL_2434185	Inhibition of MMP-13 (unknown origin) using 5-FAM/QXLTM peptide as substrate by FRET assay
50021143	10	ChEMBL_2434186	Inhibition of recombinant human MMP13 catalytic domain (Tyr104 to Asp270 residues) using acetyl-Pro-Leu-Gly-[2-mercapto-4-methyl-pentanoyl]-Leu-Gly-O-ethyl ester as substrate by absorbance based assay
50021143	11	ChEMBL_2434187	Inhibition of human MMP-2 using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(N3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by enzyme addition and measured after 15 mins by fluorescence based analysis
50021143	12	ChEMBL_2434188	Inhibition of human MMP-9 using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(N3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by enzyme addition and measured after 15 mins by fluorescence based analysis
50021143	13	ChEMBL_2434189	Inhibition of human MMP-12 using 7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(N3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)-Ala-Arg-NH2 as substrate preincubated for 5 mins followed by enzyme addition and measured after 15 mins by fluorescence based analysis
50021143	14	ChEMBL_2434190	Inhibition of MMP-10 (unknown origin)
50021143	15	ChEMBL_2434191	Inhibition of MMP-13 (unknown origin)
50021143	16	ChEMBL_2434192	Inhibition of human recombinant MMP-2 using Ac-PLG-[2-mercapto-4-methyl pentanoyl]-LG-OC2H5 as chromogenic substrate incubated for 60 mins by colorimetric assay
50021143	17	ChEMBL_2434193	Inhibition of human recombinant MMP-9 using Ac-PLG-[2-mercapto-4-methyl pentanoyl]-LG-OC2H5 as chromogenic substrate incubated for 60 mins by colorimetric assay
50021143	18	ChEMBL_2434194	Inhibition of human recombinant MMP-13 using Ac-PLG-[2-mercapto-4-methyl pentanoyl]-LG-OC2H5 as chromogenic substrate measured every 1 min for 30 mins by DTNB based absorbance assay
50021143	19	ChEMBL_2434195	Inhibition of C-terminal 6xHis-tagged recombinant MMP-13 (104 to 274 residues) (unknown origin) expressed in Escherichia coli BL21-DE3 pLys S cells using Ac-PLG-[2-mercapto-4-methyl pentanoyl]-LG-OC2H5 as chromogenic substrate measured every 1 min for 30 mins by DTNB based absorbance assay
50021143	20	ChEMBL_2434196	Inhibition of recombinant human MMP-2 incubated for 5 mins
50021143	21	ChEMBL_2434197	Inhibition of MMP-1 (unknown origin)
50021144	1	ChEMBL_2434198	Inhibition of VEGFR2 (unknown origin) by Kinase-Glo max reagent based assay
50021144	2	ChEMBL_2434201	Inhibition of BRD4 BD1 (unknown origin) using N-C:SGRG-K(Ac)-GG K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K(biotin) as substrate preincubated for 15 mins followed by substrate addition and measured for 60 mins by ALPHA screen assay
50021145	1	ChEMBL_2434261	Inhibition of AKT1 (unknown origin)
50021145	2	ChEMBL_2434262	Inhibition of AKT2 (unknown origin)
50021145	3	ChEMBL_2434263	Inhibition of AKT3 (unknown origin)
50021145	4	ChEMBL_2434265	Inhibition of AKT in human SW620 cells
50021145	5	ChEMBL_2434267	Inhibition of wild-type EGFR in human A549 cells
50021145	6	ChEMBL_2434268	Inhibition of wild-type EGFR in human A-431 cells
50021145	7	ChEMBL_2434280	Inhibition of CDK12 (unknown origin)
50021145	8	ChEMBL_2434284	Inhibition of FLT3 (unknown origin)
50021145	9	ChEMBL_2434285	Inhibition of c-Kit (unknown origin)
50021145	10	ChEMBL_2434288	Inhibition of FLT3 ITD mutant in mouse BaF3 cells
50021145	11	ChEMBL_2434290	Inhibition of FLT3 ITD/F691L mutant in mouse BaF3 cells
50021145	12	ChEMBL_2434291	Inhibition of FLT3 ITD/D835V mutant in mouse BaF3 cells
50021145	13	ChEMBL_2434292	Inhibition of FAK (unknown origin) incubated for 50 mins in presence of substrate/ATP by HTRF assay
50021145	14	ChEMBL_2434297	Inhibition of BRD4 in HEK293T cells
50021145	15	ChEMBL_2434298	Inhibition of recombinant human HDAC1 using ZMAL (Z-(Ac)Lys-AMC) as substrate incubated for 90 mins by fluorescence based assay
50021145	16	ChEMBL_2434299	Inhibition of recombinant human HDAC6 using ZMAL (Z-(Ac)Lys-AMC) as substrate incubated for 90 mins by fluorescence based assay
50021145	17	ChEMBL_2434300	Inhibition of recombinant human HDAC8 using ZMAL (Z-(Ac)Lys-AMC) as substrate incubated for 90 mins by fluorescence based assay
50021145	18	ChEMBL_2434302	Inhibition of HDAC1 (unknown origin)
50021145	19	ChEMBL_2434303	Inhibition of HDAC2 (unknown origin)
50021145	20	ChEMBL_2434304	Inhibition of HDAC3 (unknown origin)
50021146	1	ChEMBL_2434313	Inhibition of AMPK (unknown origin)
50021146	2	ChEMBL_2434314	Agonist activity at AMPK (unknown origin)
50021146	3	ChEMBL_2434315	Binding affinity to AMPK (unknown origin) assessed as inhibition constant
50021146	4	ChEMBL_2434316	Inhibition of human AMPK
50021146	5	ChEMBL_2434317	Inhibition of AMPK signalling pathway in human HepG2 cells
50021146	6	ChEMBL_2434318	Inhibition of PI3Kalpha (unknown origin) by kinase profiling assay
50021146	7	ChEMBL_2434320	Inhibition of PI3Kalpha (unknown origin)
50021146	8	ChEMBL_2434321	Inhibition of PI3Kbeta (unknown origin)
50021146	9	ChEMBL_2434322	Inhibition of PI3Kgamma (unknown origin)
50021146	10	ChEMBL_2434324	Binding affinity to PI3Kalpha (unknown origin) assessed as dissociation constant
50021146	11	ChEMBL_2434328	Binding affinity to PI3Kalpha (unknown origin) assessed as inhibition constant
50021146	12	ChEMBL_2434329	Binding affinity to PI3Kbeta (unknown origin) assessed as inhibition constant
50021146	13	ChEMBL_2434330	Binding affinity to PI3Kgamma (unknown origin) assessed as inhibition constant
50021146	14	ChEMBL_2434332	Inhibition of AKT1 (unknown origin)
50021146	15	ChEMBL_2434333	Inhibition of AKT2 (unknown origin)
50021146	16	ChEMBL_2434334	Inhibition of AKT3 (unknown origin)
50021146	17	ChEMBL_2434337	Binding affinity to mouse TSPO expressed in Escherichia coli assessed as inhibition constant
50021146	18	ChEMBL_2434338	Inhibition of mouse TSPO
50021146	19	ChEMBL_2434339	Inhibition of rat TSPO
50021146	20	ChEMBL_2434345	Inhibition of human ULK1 by discoverX kinome scan assay
50021146	21	ChEMBL_2434346	Inhibition of human ULK2 by discoverX kinome scan assay
50021146	22	ChEMBL_2434347	Inhibition of mTOR (unknown origin) by lanthascreen kinase assay
50021146	23	ChEMBL_2434348	Inhibition of human mTORC1 incubated for 90 mins by Lanthascreen time-resolved FRET assay
50021146	24	ChEMBL_2434349	Inhibition of mTOR (unknown origin)
50021146	25	ChEMBL_2434350	Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate by fluorescence based assay
50021146	26	ChEMBL_2434351	Inhibition of ATG4B (unknown origin)
50021146	27	ChEMBL_2434353	Inhibition of human PIK3C3 using PI as substrate by ADP-Glo assay
50021146	28	ChEMBL_2434354	Binding affinity to Vps34 (unknown origin) assessed as dissociation constant
50021146	29	ChEMBL_2434355	Inhibition of USP10 (unknown origin)
50021146	30	ChEMBL_2434356	Inhibition of USP13 (unknown origin)
50021146	31	ChEMBL_2434362	Binding affinity to FUNDC1 (unknown origin) assessed as inhibition constant
50021146	32	ChEMBL_2434364	Binding affinity to BCL2 (unknown origin) assessed as inhibition constant
50021146	33	ChEMBL_2434365	Inhibition of ATGL ubiquitination in human HepG2 cells assessed as inhibition constant
50021146	34	ChEMBL_2434366	Inhibition of TEX264 (unknown origin)
50021146	35	ChEMBL_2434367	Binding affinity to FLT3 (unknown origin) assessed as inhibition constant
50021146	36	ChEMBL_2434368	Inhibition of FTH1 (unknown origin)
50021148	1	ChEMBL_2434370	Inhibition of MCT1 in rat RBE4 cells
50021148	2	ChEMBL_2434371	Inhibition of MCT4 in human MDA-MB-231 cells by lactate transport assay
50021148	3	ChEMBL_2434372	Inhibition of MCT1 in human SiHa cells by lactate reporter assay
50021148	4	ChEMBL_2434373	Inhibition of MCT1 (unknown origin)
50021148	5	ChEMBL_2434375	Inhibition of MCT1 in human DLD-1 cells
50021148	6	ChEMBL_2434376	Inhibition of MCT4 in human EVSA-T cells by lactate transport assay
50021148	7	ChEMBL_2434377	Binding affinity to human MCT1 assessed as inhibition constant
50021148	8	ChEMBL_2434378	Binding affinity to human MCT1 assessed as inhibition constant preincubated with compound for 1 hr
50021148	9	ChEMBL_2434380	Inhibition of MCT4 in human MDA-MB-231 cells by BCECF-AM dye based assay
50021148	10	ChEMBL_2434381	Inhibition of MCT1 in human BT-20 cells by BCECF-AM dye based assay
50021148	11	ChEMBL_2434382	Binding affinity to MCT4 (unknown origin) by michaelis-menten plot analysis
50021148	12	ChEMBL_2434383	Binding affinity to MCT1 (unknown origin) by michaelis-menten plot analysis
50021148	13	ChEMBL_2434384	Inhibition of MCT1 in human Hs-578T cells by lactate transport assay
50021148	14	ChEMBL_2434387	Inhibition of MCT1 in human HAP1 cells by lactate transport assay
50021148	15	ChEMBL_2434388	Inhibition of MCT4 in human HAP1 cells by lactate transport assay
50021148	16	ChEMBL_2434390	Inhibition of human CA II
50021148	17	ChEMBL_2434391	Inhibition of human CA IX
50021148	18	ChEMBL_2434392	Inhibition of human CA II preincubated for 15 mins by stopped-flow instrument based assay
50021148	19	ChEMBL_2434393	Inhibition of human CA IX preincubated for 15 mins by stopped-flow instrument based assay
50021148	20	ChEMBL_2434395	Inhibition of human CA I preincubated for 15 mins by stopped-flow instrument based assay
50021148	21	ChEMBL_2434396	Inhibition of human CA II preincubated with compound for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50021148	22	ChEMBL_2434397	Inhibition of human CA IX preincubated with compound for 15 mins by phenol red dye based stopped flow CO2 hydrase assay
50021148	23	ChEMBL_2434400	Inhibition of human CA II by stopped flow CO2 hydrase assay
50021148	24	ChEMBL_2434401	Inhibition of human CA IX by stopped flow CO2 hydrase assay
50021148	25	ChEMBL_2434403	Inhibition of MMP2 (unknown origin)
50021148	26	ChEMBL_2434405	Competitive inhibition of human CA IX using 4-nitrophenyl acetate as substrate
50021148	27	ChEMBL_2434409	Inhibition of human CA II incubated for 15 to 4320 mins by by stopped-flow instrument based assay
50021148	28	ChEMBL_2434410	Inhibition of human CA IX incubated for 15 to 4320 mins by by stopped-flow instrument based assay
50021148	29	ChEMBL_2434411	Inhibition of human CA II by phenol red based stopped-flow CO2 hydration assay
50021148	30	ChEMBL_2434412	Inhibition of human CA IX by phenol red based stopped-flow CO2 hydration assay
50021148	31	ChEMBL_2434414	Inhibition of human CA II incubated for 15 mins by stopped-flow instrument based assay
50021148	32	ChEMBL_2434415	Inhibition of human CA IX incubated for 15 mins by stopped-flow instrument based assay
50021148	33	ChEMBL_2434416	Inhibition of human CA II incubated for 15 to 180 mins by stopped-flow instrument based assay
50021148	34	ChEMBL_2434417	Inhibition of human CA IX incubated for 15 to 180 mins by stopped-flow instrument based assay
50021148	35	ChEMBL_2434418	Inhibition of human CA II by stopped-flow CO2 hydrase assay
50021148	36	ChEMBL_2434419	Inhibition of human CA IX by stopped-flow CO2 hydrase assay
50021148	37	ChEMBL_2434428	Inhibition of NHE1 in human Platelet assessed as reduction in 22Na+ uptake
50021148	38	ChEMBL_2434429	Inhibition of NHE1 in human Platelet assessed as change in intracellular pH by pH-sensitive BCECF-AM fluorescence probe method
50021148	39	ChEMBL_2434430	Inhibition of NHE1 (unknown origin)
50021151	1	ChEMBL_2434439	Inhibition of wild type influenza A virus A/Udorn/72 matrix protein 2 expressed in Xenopus laevis oocytes measured after 2 mins by two-electrode patch clamp assay
50021151	2	ChEMBL_2434440	Inhibition of influenza A virus A/Udorn/72 matrix protein 2 V27A mutant expressed in Xenopus laevis oocytes measured after 2 mins by two-electrode patch clamp assay
50021151	3	ChEMBL_2434445	Inhibition of wild type influenza A virus matrix protein 2 expressed in Xenopus laevis oocytes by two-electrode patch clamp assay
50021151	4	ChEMBL_2434446	Inhibition of influenza A virus matrix protein 2 V27A mutant expressed in Xenopus laevis oocytes by two-electrode patch clamp assay
50021151	5	ChEMBL_2434464	Inhibition of wild type influenza A virus H5N1 (A/chicken/Hubei/327/2004) matrix protein 2 transfected in yeast assessed as yeast growth restoration measured after 46 to 48 hrs
50021153	1	ChEMBL_2434466	Binding affinity to N-terminal His-tagged maltose binding protein-fused MYC (unknown origin) expressed in Escherichia coli assessed as dissociation constant by backscattering interferometry
50021153	2	ChEMBL_2434467	Binding affinity to heterodimer of N-terminal His-tagged maltose binding protein-fused MYC (unknown origin) expressed in Escherichia coli/MAX bHLH-LZ domain (unknown origin) expressed in Escherichia coli assessed as dissociation constant by backscattering interferometry
50021153	3	ChEMBL_2434468	Binding affinity to homodimer of MAX bHLH-LZ domain (unknown origin) expressed in Escherichia coli assessed as dissociation constant by backscattering interferometry
50021153	4	ChEMBL_2434470	Inhibition of His6-tagged Max (151 residues)(unknown origin) expressed in bacterial system/recombinant MYC ) (unknown origin) expressed in bacterial system by EMSA
50021153	5	ChEMBL_2434471	Binding affinity to MYC/MAX (unknown origin) by PCA analysis
50021153	6	ChEMBL_2434473	Binding affinity to CM5 sensor chip immobilized MYC bHLHZip domain (unknown origin) assessed as dissociation constant by SPR analysis
50021153	7	ChEMBL_2434475	Inhibition of MYC in chicken embryonic fibroblasts assessed as reduction in transformed cell foci with repeated addition of compounds every second day and measured after 1 to 3 weeks by crystal violet staining based analysis
50021154	1	ChEMBL_2434491	Binding affinity to human CA1 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50021154	2	ChEMBL_2434492	Binding affinity to human CA2 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50021154	3	ChEMBL_2434493	Binding affinity to human CA9 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50021154	4	ChEMBL_2434494	Binding affinity to human CA12 assessed as inhibition constant incubated for 10 mins by phenol red dye based stopped flow CO2 hydration assay
50021154	5	ChEMBL_2434495	Binding affinity to human CA1 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50021154	6	ChEMBL_2434496	Binding affinity to human CA2 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50021154	7	ChEMBL_2434497	Binding affinity to human CA9 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50021154	8	ChEMBL_2434498	Binding affinity to human CA12 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50021154	9	ChEMBL_2434502	Binding affinity to human CA9 assessed as inhibition constant
50021154	10	ChEMBL_2434503	Binding affinity to human CA12 assessed as inhibition constant
50021154	11	ChEMBL_2434520	Inhibition of VEGFR2 (unknown origin)
50021154	12	ChEMBL_2434521	Inhibition of human VEGFR2
50021154	13	ChEMBL_2434525	Inhibition of STS in human MCF7 cells
50021154	14	ChEMBL_2434526	Inhibition of STS in human placental microsome
50021154	15	ChEMBL_2434532	Inhibition of EGFR (unknown origin)
50021154	16	ChEMBL_2434533	Inhibition of HER2 (unknown origin)
50021154	17	ChEMBL_2434547	Inhibition of BRD4 (unknown origin)
50021154	18	ChEMBL_2434549	Reversible binding affinity to human serum albumin
50021155	1	ChEMBL_2434602	Inhibition of GST-tagged PRMT1 (unknown origin) incubated for 1 hr by colorimetric method
50021155	2	ChEMBL_2434603	Inhibition of GST-tagged human PRMT1 expressed in Escherichia coli BL21 cells using Npl3p as substrate preincubated with substrate for 15 mins followed by enzyme and SAM addition and measured after 1 hr by plate reader assay
50021155	3	ChEMBL_2434604	Inhibition of human PRMT1 using histone H4 as substrate preincubated for 5 mins followed by SAM addition and measured after 1 hr by microplate reader assay
50021155	4	ChEMBL_2434605	Inhibition of PRMT1 (unknown origin) using histone substrate in presence of SAM by luminescence based microplate reader assay
50021155	5	ChEMBL_2434606	Inhibition of PRMT1 (unknown origin)
50021155	6	ChEMBL_2434608	Inhibition of PRMT1 (unknown origin) using AcH4-21 as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by MTase-Glo reagent based luminescence assay
50021155	7	ChEMBL_2434609	Inhibition of full-length PRMT3 (unknown origin) using SGRGKGGKGLGKGGAKRHRKVLRD as substrate incubated for 60 mins in presence of SAM by Topcount scintillation counting method
50021155	8	ChEMBL_2434610	Binding affinity to 6-His tagged PRMT3 (unknown origin) by SPR method
50021155	9	ChEMBL_2434614	Inhibition of PRMT3 (unknown origin)
50021155	10	ChEMBL_2434615	Inhibition of PRMT4 (unknown origin)
50021155	11	ChEMBL_2434616	Inhibition of PRMT4 (unknown origin) using biotinylated peptide substrate in presence of SAM by scintillation proximity assay
50021155	12	ChEMBL_2434617	Inhibition of PRMT6 (unknown origin) using biotinylated peptide substrate in presence of SAM by scintillation proximity assay
50021155	13	ChEMBL_2434618	Inhibition of PRMT4 in HEK293 cells assessed as reduction in BAF155 methylation
50021155	14	ChEMBL_2434619	Inhibition of PRMT4 in HEK293 cells assessed as reduction in MED12 methylation
50021155	15	ChEMBL_2434620	Inhibition of flag-tagged PRMT4 (2 to 585 residues) (unknown origin) expressed in HEK293F cells preincubated for 30 mins followed by biotinylated substrate and SAM addition by Topcount reader assay
50021155	16	ChEMBL_2434621	Inhibition of PRMT4 in human RPMI-8226 cells assessed as reduction in PABP1 methylation incubated for 96 hrs by immunoblotting analysis
50021155	17	ChEMBL_2434622	Inhibition of PRMT4 in human RPMI-8226 cells assessed as reduction in SMB methylation incubated for 96 hrs by immunoblotting analysis
50021155	18	ChEMBL_2434626	Inhibition of PRMT4 (unknown origin) using H3 peptide in presence of [3H-Me]-SAM preincubated for 30 mins followed by substrate and cofactor addition measured after 6 hrs by radiometric filter paper assay
50021155	19	ChEMBL_2434628	Inhibition of human PRMT1
50021155	20	ChEMBL_2434629	Inhibition of PRMT5 (unknown origin)
50021155	21	ChEMBL_2434630	Inhibition of PRMT4 (unknown origin) using histone H3 as substrate in presence of 3H-SAM incubated for 1 hr
50021155	22	ChEMBL_2434631	Inhibition of p300 (unknown origin) using histone H3 as substrate in presence of [acetyl-3H]-acetyl-CoA
50021155	23	ChEMBL_2434632	Inhibition of PRMT6 (unknown origin) in presence of [3H-SAM] by scintillation proximity assay
50021155	24	ChEMBL_2434633	Inhibition of PRMT8 (unknown origin) in presence of [3H-SAM] by scintillation proximity assay
50021155	25	ChEMBL_2434634	Inhibition of PRMT5 (unknown origin) using histone H4 as substrate preincubated for 30 mins followed by SAM addition and measured after 120 mins by Topcount method
50021155	26	ChEMBL_2434639	Inhibition of full-length PRMT5 (unknown origin) expressed in insect cells coexpressing 6His-tagged MEP50 using histone H4 peptide as substrate incubated for 4 hrs by fluorescence polarization assay
50021155	27	ChEMBL_2434640	Inhibition of human PRMT5 expressed in HEK293 cells coexpressing MEP50 incubated for 60 mins by chemiluminescent assay
50021155	28	ChEMBL_2434641	Inhibition of PRMT5 (unknown origin) using biotinylated H4 derived peptide as substrate preincubated for 15 mins followed by substrate and [3H]-SAM addition and measured after 60 mins by microbeta liquid scintillation counting method
50021155	29	ChEMBL_2434642	Inhibition of PRMT5/MEP50 (unknown origin) using H4 peptide as substrate incubated for 25 mins in presence of [3H]-SAM by liquid scintillation counter method
50021155	30	ChEMBL_2434643	Inhibition of human PRMT5 (unknown origin)
50021155	31	ChEMBL_2434648	Inhibition of recombinant human PRMT5 (2 to 637 residues) incubated for 60 mins
50021155	32	ChEMBL_2434649	Inhibition of PRMT9 (unknown origin)
50021155	33	ChEMBL_2434650	Inhibition of PRMT9 methylation (unknown origin) by in-cell Western blot analysis
50021155	34	ChEMBL_2434651	Inhibition of PRMT5 methylation (unknown origin) by in-cell Western blot analysis
50021155	35	ChEMBL_2434652	Inhibition of full-length PRMT7 (unknown origin) expressed in Sf9 cells using biotinylated H2B as substrate incubated for 60 mins in presence of 3H-SAM by Topcount plate reader analysis
50021155	36	ChEMBL_2434653	Inhibition of PRMT7 (unknown origin) assessed as reduction in HSPA8 methylation
50021155	37	ChEMBL_2434654	Inhibition of PRMT7 in mouse C2C12 cells assessed as reduction in HSP70 methylation
50021155	38	ChEMBL_2434655	Inhibition of PRMT7 (unknown origin)
50021158	1	ChEMBL_2434659	Inhibition of recombinant human ENPP1 using ATP as substrate assessed as inhibition constant incubated for 30 mins by Lineweaver-Burk plot analysis
50021158	2	ChEMBL_2434660	Competitive inhibition of human ENPP1 transfected in HEK293T cells using pnp-TMP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by absorbance based assay
50021158	3	ChEMBL_2434661	Inhibition of ENPP1 (unknown origin) using cGAMP as substrate assessed as inhibition constant at pH 7.4
50021158	4	ChEMBL_2434663	Inhibition of ENPP1 in mouse plasma using [32P]cGAMP as substrate
50021158	5	ChEMBL_2434664	Inhibition of ENPP1 (unknown origin) using cGAMP as substrate assessed as inhibition constant at pH 9
50021158	6	ChEMBL_2434665	Inhibition of ENPP1 in HEK293 cells using 2',3'-cGAMP as substrate by AMP-Glo assay
50021158	7	ChEMBL_2434668	Inhibition of recombinant human ENPP1 using 2',3'-cGAMP as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 90 mins by ADP-Glo assay
50021158	8	ChEMBL_2434669	Inhibition of ECD-his tagged human ENPP1 using 2',3'-cGAMP as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by AMP-Glo assay
50021158	9	ChEMBL_2434674	Inhibition of human ENPP-1 using 2',3'-cGAMP as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by AMP-Glo reagent based assay
50021158	10	ChEMBL_2434675	Inhibition of recombinant human ENPP-1 using AMP-pNP as substrate incubated for 20 mins by absorbance based plate reader analysis
50021158	11	ChEMBL_2434676	Inhibition of human ENPP1 using TMP-pNP as substrate at pH 9.5 preincubated for 30 mins followed by substrate addition and measured after 60 mins by absorbance based assay
50021158	12	ChEMBL_2434677	Inhibition of human ENPP1 using AMP-pNP as substrate at pH 9.5 preincubated for 30 mins followed by substrate addition and measured after 60 mins by absorbance based assay
50021158	13	ChEMBL_2434678	Inhibition of ENPP1 (unknown origin) expressed in human MDA-MB-231 cells using TMP-pNP as substrate preincubated for 60 mins followed by substrate addition and measured after 5 hrs by absorbance based plate reader analysis
50021158	14	ChEMBL_2434679	Inhibition of ENPP1 (unknown origin) using 2',3'-cGAMP as substrate preincubated for 1 hrs followed by substrate addition and measured after 1 hrs by AMP-Glo assay
50021158	15	ChEMBL_2434681	Inhibition of ENPP1 (unknown origin) using TMP-pNP as substrate preincubated for 10 mins followed by substrate addition and measured immediately under pH 8.8 by absorbance based multimode plate reader analysis
50021158	16	ChEMBL_2434682	Inhibition of ENNP1 (unknown origin) using 2',3'-cGAMP as substrate preincubated with compound followed by substrate addition and measured after 60 mins by AMP-Glo reagent based assay
50021158	17	ChEMBL_2434683	Inhibition of recombinant human ENPP1 using p-NP-TMP as substrate incubated for 45 mins by absorbance based analysis
50021158	18	ChEMBL_2434684	Inhibition of recombinant human ENPP-1 using p-Nph5'-TMP as substrate incubated for 45 mins by absorbance based analysis
50021158	19	ChEMBL_2434685	Inhibition of recombinant human ENPP-1 using TMP as substrate incubated for 45 mins by absorbance based analysis
50021158	20	ChEMBL_2434686	Inhibition of recombinant human ENPP-1 using ATP as substrate incubated for 20 mins by Cell titer Glo assay
50021158	21	ChEMBL_2434688	Inhibition of ENPP1 (unknown origin) assessed as inhibition constant
50021158	22	ChEMBL_2434689	Inhibition of ENPP1 in human MDA-MB-231 cells using pNP-TMP as substrate incubated for 4 hrs
50021159	1	ChEMBL_2434795	Binding affinity to NT650-labeled recombinant SARS CoV-2 MPro assessed as protein stability by measuring dissociation constant by MST analysis
50021161	1	ChEMBL_2434806	Inhibition of human NSD2 SET domain (948 to 1239 residues) expressed in Escherichia coli BL21 assessed as decrease in HMTase activity on H3K36 using histone H3.1/AdoMet as substrate preincubated with histone H3.1 for 20 mins followed by AdoMet addition measured after 120 mins by ELISA
50021161	2	ChEMBL_2434807	Displacement of [3H]SAM from NSD2 SET domain (941 to 1240 residues) (unknown origin) using RLARRGGVKRISGLI as substrate incubated for 120 mins by radiometric assay
50021161	3	ChEMBL_2434808	Displacement of [3H]SAM from His-tagged NSD3 SET domain (1054 to 1285 residues) (unknown origin) expressed in Escherichia coli using RLARRGGVKRISGLI as substrate incubated for 120 mins by radiometric assay
50021161	4	ChEMBL_2434809	Binding affinity to CM5 chip immobilized N-terminal GST-tagged NSD3 PWWP1 domain (263 to 398 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by SPR analysis
50021161	5	ChEMBL_2434812	Binding affinity to biotinylated human NSD2 PWWP1 domain (208 to 368 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by SPR analysis
50021161	6	ChEMBL_2434813	Inhibition of recombinant NSD3 (1021 to 1322 residues) (unknown origin) expressed in Escherichia coli Rossetta (DE3)
50021161	7	ChEMBL_2434814	Inhibition of recombinant NSD3 (1021 to 1322 residues) (unknown origin) expressed in Escherichia coli Rossetta (DE3) using H3K36me1 as substrate incubated for 20 mins in presence of SAM by HTRF assay
50021161	8	ChEMBL_2434815	Inhibition of recombinant NSD2 (942 to 1240 residues) (unknown origin) expressed in Escherichia coli Rossetta (DE3) using H3K36me1 as substrate incubated for 20 mins in presence of SAM by HTRF assay
50021161	9	ChEMBL_2434817	Binding affinity to recombinant NSD3 (1021 to 1322 residues) (unknown origin) expressed in Escherichia coli Rossetta (DE3) assessed as dissociation constant by SPR analysis
50021161	10	ChEMBL_2434818	Inhibition of recombinant SETD2 (unknown origin) preincubated for 20 mins followed by peptide substrate/SAM addition measured after 3 hrs by MTase Glo assay
50021161	11	ChEMBL_2434819	Inhibition of recombinant SMYD3 (unknown origin) preincubated for 20 mins followed by peptide substrate/SAM addition measured after 3 hrs by MTase Glo assay
50021161	12	ChEMBL_2434820	Inhibition of recombinant G9a (unknown origin) preincubated for 20 mins followed by peptide substrate/SAM addition measured after 3 hrs by MTase Glo assay
50021161	13	ChEMBL_2434821	Inhibition of recombinant PRMT1 (unknown origin) preincubated for 20 mins followed by peptide substrate/SAM addition measured after 3 hrs by MTase Glo assay
50021161	14	ChEMBL_2434822	Inhibition of recombinant PRMT4 (unknown origin) preincubated for 20 mins followed by peptide substrate/SAM addition measured after 3 hrs by MTase Glo assay
50021162	1	ChEMBL_2434866	Inhibition of PDE4 (unknown origin) by fluorescent based assay
50021162	2	ChEMBL_2434871	Inhibition of RORgamma (unknown origin)
50021162	3	ChEMBL_2434872	Inhibition of RORgammat (unknown origin)
50021162	4	ChEMBL_2434873	Inverse agonist activity at RORgammat (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 1 hr by FRET analysis
50021162	5	ChEMBL_2434874	Antagonist activity at TLR7 (unknown origin)
50021162	6	ChEMBL_2434876	Inhibition of steroid 5-alpha-reductase 1 (unknown origin)
50021162	7	ChEMBL_2434877	Inhibition of human steroid 5-alpha-reductase 1
50021162	8	ChEMBL_2434878	Inhibition of rat steroid 5-alpha-reductase 1
50021163	1	ChEMBL_2434881	Inhibition of EGFR (unknown origin)
50021163	2	ChEMBL_2434882	Inhibition of KRAS G12C mutant (unknown origin)
50021163	3	ChEMBL_2434883	Inhibition of SOS1/KRAS (unknown origin) protein-protein interaction by alpha screen assay
50021163	4	ChEMBL_2434884	Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by SPR analysis
50021163	5	ChEMBL_2434885	Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTRF method
50021163	6	ChEMBL_2434887	Inhibition of SOS1 (unknown origin)
50021163	7	ChEMBL_2434888	Agonist activity at SOS1 in human HeLa cells expressing wild type KRAS assessed as increase in p-ERK level incubated for 30 mins by Western blot analysis
50021163	8	ChEMBL_2434889	Agonist activity at SOS1 in human HeLa cells assessed as activation of p-ERK1/2 incubated for 30 mins by immunoblot analysis
50021163	9	ChEMBL_2434890	Agonist activity at SOS1 in human HeLa cells expressing wild type KRAS assessed as increase in p-ERK1/2 level measured for 30 mins by Western blot analysis
50021163	10	ChEMBL_2434891	Binding affinity to SOS1 in human NCI-H358 cells expressing KRAS G12C mutant assessed as dissociation constant
50021164	1	ChEMBL_2434892	Binding affinity to ENPP1 (unknown origin) assessed as inhibition constant
50021164	2	ChEMBL_2434893	Inhibition of ENPP1 (unknown origin)
50021164	3	ChEMBL_2434894	Binding affinity to human ENPP1 assessed as inhibition constant
50021164	4	ChEMBL_2434896	Inhibition of human ENPP1
50021165	1	ChEMBL_2434898	Activation of ULK1 (unknown origin)
50021165	2	ChEMBL_2434900	Inhibition of mTOR (unknown origin)
50021165	3	ChEMBL_2434901	Activation of AMPK (unknown origin)
50021165	4	ChEMBL_2434903	Inhibition of SGLT2 (unknown origin)
50021165	5	ChEMBL_2434904	Inhibition of BRAF (unknown origin)
50021165	6	ChEMBL_2434905	Inhibition of N-terminal Sumo-tagged ULK1 (1 to 283 residues) (unknown origin) incubated for 15 to 30 mins in presence of 33P-gamma-ATP
50021165	7	ChEMBL_2434906	Inhibition of ULK1 (unknown origin)
50021165	8	ChEMBL_2434907	Inhibition of ULK2 (unknown origin)
50021166	1	ChEMBL_2434909	Inhibition of DDR1 (unknown origin) (601 to 913 residues) expressed in Sf9 cells
50021166	2	ChEMBL_2434911	Inhibition of DDR1 (unknown origin)
50021166	3	ChEMBL_2434912	Binding affinity to DDR1 (unknown origin) assessed as dissociation constant
50021166	4	ChEMBL_2434914	Inhibition of GST-tagged recombinant DDR1 (unknown origin) expressed in Escherichia coli BL21 by DiscoverX KINOMEscan assay
50021166	5	ChEMBL_2434915	Inhibition of GST-tagged recombinant DDR2 (unknown origin) expressed in Escherichia coli BL21 by DiscoverX KINOMEscan assay
50021166	6	ChEMBL_2434920	Inhibition of DDR1 (unknown origin) by DiscoverX KINOMEscan assay
50021166	7	ChEMBL_2434921	Inhibition of DDR2 (unknown origin) by by DiscoverX KINOMEscan assay
50021166	8	ChEMBL_2434922	Inhibition of ABL (unknown origin) incubated for 1 hr by ADP-Glo assay
50021166	9	ChEMBL_2434925	Inhibition of DDR1 (unknown origin) by TR-FRET based assay
50021166	10	ChEMBL_2434926	Inhibition of DDR2 (unknown origin) by TR-FRET assay
50021166	11	ChEMBL_2434927	Inhibition of flag-tagged DDR1 (unknown origin) by TR-FRET assay
50021166	12	ChEMBL_2434928	Inhibition of flag-tagged DDR2 (unknown origin) by TR-FRET assay
50021166	13	ChEMBL_2434933	Inhibition of human DDR2 by discoverX kinome scan assay
50021166	14	ChEMBL_2434934	Inhibition of DDR1 (unknown origin) using Fluorescein-Poly GAT as substrate by TR-FRET analysis
50021166	15	ChEMBL_2434935	Inhibition of DDR2 (unknown origin) using Fluorescein-Poly GAT as substrate by TR-FRET analysis
50021166	16	ChEMBL_2434936	Inhibition of ABL (unknown origin) using Try-2 as substrate by FRET analysis
50021166	17	ChEMBL_2434938	Inhibition of DDR2 (unknown origin) by ADP-Glo assay
50021167	1	ChEMBL_2435317	Inhibition of full length N-terminal His-tagged human PKL (2 to 543 residues) expressed in Escherichia coli by kinase Glo luminescence based plate reader assay
50021167	2	ChEMBL_2435318	Inhibition of PKR (unknown origin)
50021168	1	ChEMBL_2435320	Displacement of kinase tracer 236 from ATP-binding site of biotinylated N-terminal TEV-fused/hexahistidine tagged C-terminal avidin tagged human DYRK1A kinase domain (127 to 485 residues) transfected in Escherichia coli BL21 (DE3)-R3 incubated for 1.5 hrs by TR-FRET assay
50021168	2	ChEMBL_2435335	Binding affinity to biotinylated super-streptavidin biosensor immobilised DYRK1A (unknown origin) assessed as dissociation constant by biolayer interferometry
50021168	3	ChEMBL_2435336	Binding affinity to biotinylated super-streptavidin biosensor immobilised CLK1 (unknown origin) assessed as dissociation constant by biolayer interferometry
50021168	4	ChEMBL_2435337	Binding affinity to biotinylated super-streptavidin biosensor immobilised CLK2 (unknown origin) assessed as dissociation constant by biolayer interferometry
50021168	5	ChEMBL_2435338	Binding affinity to biotinylated super-streptavidin biosensor immobilised Haspin (unknown origin) assessed as dissociation constant by biolayer interferometry
50021168	6	ChEMBL_2435339	Displacement of fluorescent tracer from ATP-binding site of N-terminal NanoLuc fused DYRK1A in HEK293 cells incubated for 2 hrs in presence of 1 uM fluorescent tracer by NanoBRET assay
50021168	7	ChEMBL_2435340	Displacement of fluorescent tracer from ATP-binding site of N-terminal NanoLuc fused DYRK1A in HEK293 cells incubated for 2 hrs in presence of 2 uM fluorescent tracer by NanoBRET assay
50021168	8	ChEMBL_2435342	Binding affinity to biotinylated N-terminal TEV-fused/hexahistidine tagged C-terminal avidin tagged human DYRK1A kinase domain (127 to 485 residues) transfected in Escherichia coli BL21 (DE3)-R3 assessed as dissociation rate by surface plasmon resonance method
50021168	9	ChEMBL_2435343	Binding affinity to biotinylated N-terminal TEV-fused/hexahistidine tagged C-terminal avidin tagged human DYRK1A kinase domain (127 to 485 residues) transfected in Escherichia coli BL21 (DE3)-R3 assessed as dissociation constant by surface plasmon resonance method
50021169	1	ChEMBL_2435347	Inhibition of human MAO-B incubated for 30 mins by Amplex Red assay
50021169	2	ChEMBL_2435348	Inhibition of recombinant human MAO-B expressed in insect cells using benzylamine hydrochloride as substrate preincubated for 1 hr followed by substrate addition by Amplex red assay
50021169	3	ChEMBL_2435349	Inhibition of recombinant human MAO-B using kynuramine as substrate incubated for 20 mins by fluorimetric assay
50021169	4	ChEMBL_2435350	Inhibition of rat brain mitochondria MAO-B using benzylamine as substrate incubated for 30 mins by absorbance based assay
50021169	5	ChEMBL_2435352	Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cells using kynuramine as substrate by fluorescence based method
50021169	6	ChEMBL_2435354	Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cells using kynuramine as substrate by fluorescence based method
50021169	7	ChEMBL_2435357	Inhibition of GFP/RFP-fused tau oligomerization in human SH-SY5Y cells incubated for 2 hrs by FRET assay
50021169	8	ChEMBL_2435360	Inhibition of alpha-syn (unknown origin) aggregation incubated for 24 hrs by ThT fluorescence based assay
50021172	1	ChEMBL_2435464	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in HEK293 cell membrane incubated for 90 mins by competition binding assay
50021172	2	ChEMBL_2435465	Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 90 mins by competition binding assay
50021172	3	ChEMBL_2435466	Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in HEK293 cell membrane incubated for 90 mins by competition binding assay
50021172	4	ChEMBL_2435467	Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in HEK293 cell membrane assessed as inhibition constant incubated for 90 mins by competition binding assay
50021173	1	ChEMBL_2435517	Inhibition of Plasmodium falciparum SUB1 assessed as inhibition constant
50021173	2	ChEMBL_2435519	Inhibition of full length recombinant Plasmodium falciparum SUB1 using Dabsyl-KLVSADNIDIS-EDANS as substrate measured every 2 mins for 1 hr by FRET assay
50021173	3	ChEMBL_2435525	Inhibition of Plasmodium vivax SUB1 catalytic domain
50021174	1	ChEMBL_2435540	Inhibition of human HDAC1 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	2	ChEMBL_2435551	Inhibition of human HDAC2 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	3	ChEMBL_2435552	Inhibition of human HDAC3 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	4	ChEMBL_2435553	Inhibition of human HDAC4 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	5	ChEMBL_2435554	Inhibition of human HDAC5 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	6	ChEMBL_2435555	Inhibition of human HDAC6 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	7	ChEMBL_2435556	Inhibition of human HDAC7 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	8	ChEMBL_2435557	Inhibition of human HDAC8 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	9	ChEMBL_2435558	Inhibition of human HDAC9 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	10	ChEMBL_2435559	Inhibition of human HDAC10 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021174	11	ChEMBL_2435560	Inhibition of human HDAC11 incubated for 10 mins followed by fluorogenic substrate addition by fluorescence based analysis
50021175	1	ChEMBL_2435601	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate measured after 20 mins by spectrophotometer
50021175	2	ChEMBL_2435603	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using varying concentrations of p-nitrophenyl-alpha-D-glucopyranoside as substrate by Lineweaver-Burk plot analysis
50021175	3	ChEMBL_2435604	Uncompetitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using varying concentrations of p-nitrophenyl-alpha-D-glucopyranoside as substrate by Lineweaver-Burk plot analysis
50021175	4	ChEMBL_2435624	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate
50021175	5	ChEMBL_2435625	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometer
50021175	6	ChEMBL_2435626	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by spectrophotometer
50021175	7	ChEMBL_2435627	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins
50021175	8	ChEMBL_2435628	Inhibition of alpha-glucosidase (unknown origin)
50021176	1	ChEMBL_2435680	Displacement of [3H]NPVF from monoclonal human NPFF1 receptor expressed in CHO cells incubated for 1 hr by competitive radioligand binding assay
50021176	2	ChEMBL_2435681	Displacement of [3H]-EYF from monoclonal human NPFF2 receptor expressed in CHO cells incubated for 1 hr by competitive radioligand binding assay
50021176	3	ChEMBL_2435688	Displacement of [3H]-DADLE from monoclonal DOR (unknown origin) expressed in CHO cells incubated for 1 hr by competitive radioligand binding assay
50021176	4	ChEMBL_2435689	Displacement of [3H]-U69,593 from monoclonal KOR (unknown origin) expressed in HEK cells incubated for 1 hr by competitive radioligand binding assay
50021176	5	ChEMBL_2435690	Displacement of [3H]-DAMGO from monoclonal MOR (unknown origin) expressed in CHO cells incubated for 1 hr by competitive radioligand binding assay
50021176	6	ChEMBL_2435691	Displacement of [3H]-FFRFamide from N-terminal Flag-fused human NPFF1 receptor expressed in CHO cell membranes incubated for 1 hr by Topcount scintillation counting analysis
50021176	7	ChEMBL_2435692	Displacement of [3H]-FFRFamide from N-terminal Flag-fused human NPFF2 receptor expressed in CHO cell membranes incubated for 1 hr by Topcount scintillation counting analysis
50021176	8	ChEMBL_2435693	Displacement of [125I]-1-DMe-NPFF from human NPFF1 receptor
50021176	9	ChEMBL_2435694	Displacement of [125I]-1-DMe-NPFF from human NPFF2 receptor
50021177	1	ChEMBL_2435857	Inhibition of PIM-3 (unknown origin)
50021177	2	ChEMBL_2435864	Inhibition of PIM-1 (unknown origin)
50021177	3	ChEMBL_2435866	Inhibition of PIM-2 (unknown origin)
50021177	4	ChEMBL_2435871	Inhibition of human PRK2 using ISDELMDATFADQEAKKK as substrate in presence of ATP
50021177	5	ChEMBL_2435872	Inhibition of human AMPK using HMRSAMSGLHLVKRR as substrate in presence of ATP
50021177	6	ChEMBL_2435873	Inhibition of human MARK3 using ATPKKLNRTLSVA as substrate in presence of ATP
50021177	7	ChEMBL_2435874	Inhibition of human GSK3beta using Poly Glut Tyr as substrate in presence of ATP
50021177	8	ChEMBL_2435875	Inhibition of human JAK3 using MBP as substrate in presence of ATP
50021179	1	ChEMBL_2435901	Inhibition of human URAT1 expressed in HEK-293T cells assessed as inhibition rate by measuring [C14}-uric acid uptake measured after 8 mins by MicroBeta2 scintillation counting analysis
50021179	2	ChEMBL_2435924	Inhibition of human OAT1 expressed in MDCK-II cells using 6-carboxyfluorescein as substrate
50021180	1	ChEMBL_2435933	Inhibition of CDK1 (unknown origin)
50021180	2	ChEMBL_2435934	Inhibition of CDK2 (unknown origin)
50021180	3	ChEMBL_2435935	Inhibition of CDK3 (unknown origin)
50021180	4	ChEMBL_2435936	Inhibition of CDK4 (unknown origin)
50021180	5	ChEMBL_2435937	Inhibition of CDK9 (unknown origin)
50021180	6	ChEMBL_2435938	Inhibition of CDK6 (unknown origin)
50021180	7	ChEMBL_2435939	Inhibition of CDK7 (unknown origin)
50021180	8	ChEMBL_2435940	Inhibition of CDK12 (unknown origin)
50021180	9	ChEMBL_2435948	Inhibition of DCTPP1 (unknown origin)
50021180	10	ChEMBL_2435949	Inhibition of ACAT1 (unknown origin)
50021181	1	ChEMBL_2435953	Inhibition of recombinant human FABP1 incubated for 3 mins by fluorescence based analysis
50021181	2	ChEMBL_2435954	Inhibition of recombinant human FABP3 incubated for 3 mins by fluorescence based analysis
50021181	3	ChEMBL_2435955	Inhibition of recombinant human FABP4 incubated for 3 mins by fluorescence based analysis
50021182	1	ChEMBL_2435985	Inhibition of human MDM2 by competitive binding assay
50021182	2	ChEMBL_2435986	Inhibition of MDM2 (unknown origin)
50021182	3	ChEMBL_2435988	Inhibition of human MDM2 by TR-FRET assay
50021182	4	ChEMBL_2435990	Inhibition of MDM2 (unknown origin) by fluorescence polarization assay
50021183	1	ChEMBL_2436150	Inhibition of recombinant human N-terminal His/GST-tagged SYK (356 to 635 residues) expressed in baculovirus infected Sf21 cells using KKKKKEQE-DEPEGDYFEWLE as substrate preincubated for 30 mins followed by ATP and substrate addition and measured after 60 mins by KinaseGlo assay
50021183	2	ChEMBL_2436151	Inhibition of JAK2 (unknown origin) incubated for 60 mins in presence of ATP by KinaseGlo assay
50021183	3	ChEMBL_2436152	Inhibition of LYN (unknown origin) incubated for 60 mins in presence of ATP by KinaseGlo assay
50021183	4	ChEMBL_2436153	Inhibition of FLT3 (unknown origin) incubated for 60 mins in presence of ATP by KinaseGlo assay
50021183	5	ChEMBL_2436154	Inhibition of SYK in mouse BaF3-TEL/SYK cells in absence of IL-3 stimulation
50021183	6	ChEMBL_2436155	Inhibition of SYK in IL-3 stimulated mouse BaF3-TEL/SYK cells
50021183	7	ChEMBL_2436236	Inhibition of SYK (unknown origin)
50021183	8	ChEMBL_2436237	Inhibition of PKR (unknown origin)
50021183	9	ChEMBL_2436238	Inhibition of ROS1 (unknown origin)
50021183	10	ChEMBL_2436239	Inhibition of FLT3 (unknown origin)
50021183	11	ChEMBL_2436240	Inhibition of ZAP70 (unknown origin)
50021183	12	ChEMBL_2436241	Inhibition of PKCbeta (unknown origin)
50021183	13	ChEMBL_2436242	Inhibition of MUSK (unknown origin)
50021183	14	ChEMBL_2436243	Inhibition of PKAalpha (unknown origin)
50021183	15	ChEMBL_2436244	Inhibition of PDGFRalpha (unknown origin)
50021183	16	ChEMBL_2436246	Inhibition of TRKA (unknown origin)
50021183	17	ChEMBL_2436247	Inhibition of MAP3K3 (unknown origin)
50021183	18	ChEMBL_2436248	Inhibition of HIPK1 (unknown origin)
50021183	19	ChEMBL_2436249	Inhibition of FER (unknown origin)
50021183	20	ChEMBL_2436250	Inhibition of JAK2 (unknown origin)
50021183	21	ChEMBL_2436251	Inhibition of CK2 (unknown origin)
50021183	22	ChEMBL_2436252	Inhibition of BRK (unknown origin)
50021187	1	ChEMBL_2436361	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by Ellman's method
50021187	2	ChEMBL_2436362	Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by Ellman's method
50021187	3	ChEMBL_2436366	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Ellman's method
50021187	4	ChEMBL_2436367	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 30 mins by Ellman's method
50021188	1	ChEMBL_2436390	Inhibition of TGFbetaR1 (unknown origin)
50021188	2	ChEMBL_2436392	Inhibition of ALK5 (unknown origin) incubated for 2 hrs in presence of ATP by ADP-Glo reagent based luminescence plate reader analysis
50021188	3	ChEMBL_2436393	Inhibition of ALK5 signaling in mouse NIH3T3 cells transfected with (CAGA)12-luciferase reporter incubated for 18 hrs in presence of TGF-beta1 by dual-luciferase reporter assay
50021189	1	ChEMBL_2436462	Inhibition of Hepatitis B virus core protein expressed in HBC cells derived from HEK293T cells assessed as reduction in HBcAg level incubated for 6 hrs by Nano-glo luciferase assay
50021190	1	ChEMBL_2436611	Inhibition of XOR (unknown origin) using xanthine as substrate measured for 10 mins by spectrophotometry
50021190	2	ChEMBL_2436612	Inhibition of human URAT1 expressed in HEK293T cells using 6-carboxylic fluorescein substrate by fluorescence assay
50021192	1	ChEMBL_2436625	Inhibition of human DHODH (31 to 395 residues) using DCPIP as substrate preincubated for 30 mins prior to incubation under room temperature for 15 mins followed by substrate addition and measured after 30 mins
50021193	1	ChEMBL_2436659	Binding affinity to BTK (unknown origin) assessed as inhibition constant
50021193	2	ChEMBL_2436667	Binding affinity to human ALDH1A2 assessed as inhibition constant
50021193	3	ChEMBL_2436671	Binding affinity to SARS-CoV-2 cysteine protease-Mpro assessed as inhibition constant
50021193	4	ChEMBL_2436673	Inhibition of SARS-CoV-2 cysteine protease main protease
50021193	5	ChEMBL_2436676	Inhibition of human MK2 recombinant assessed as phosphorylation of Sox peptide by continuous fluorescence read assay
50021193	6	ChEMBL_2436679	Inhibition of SARS-CoV-2 papain-like protease (PLpro) using fluorogenic peptide substrate by fluorescent assay
50021193	7	ChEMBL_2436681	Inhibition of SARS-CoV-2 Main protease (Mpro) by FRET assay
50021193	8	ChEMBL_2436684	Rate of protein modification at carbonic anhydrase II (unknown origin) fragment assessed as inhibition constant
50021193	9	ChEMBL_2436691	Inhibition of CypE (unknown origin) expressed in Escherichia coli BL21(DE3) by FLIPR based Chymotrypsin coupled prolyl-isomerase assay
50021193	10	ChEMBL_2436692	Inhibition of CypE (unknown origin) assessed as apparent inhibition constant incubated for 24 hrs by Competition anisotropy binding assay
50021193	11	ChEMBL_2436694	Inhibition of wild type N-terminal His tagged ABL kinase (unknown origin) using fluorescence-labelled substrate by off-chip mobility shift assay
50021193	12	ChEMBL_2436696	Inhibition of recombinant ABL kinase (unknown origin) assessed as inhibition constant
50021193	13	ChEMBL_2436697	Irreversible inhibition of MCL-1 (unknown origin) measured after 8 hrs
50021193	14	ChEMBL_2436699	Irreversible inhibition of DNA polymerase beta (unknown origin) assessed as inhibition constant by Kitz-Wilson plot analysis
50021193	15	ChEMBL_2436700	Inhibition of DNA polymerase beta (unknown origin) measured after 30 mins
50021193	16	ChEMBL_2436701	Allosteric activation at human liver pyruvate kinase
50021193	17	ChEMBL_2436702	Binding affinity to Escherichia coli type I signal peptidase LepB assessed as inhibition constant
50021193	18	ChEMBL_2436706	Inhibition of PI3Kdelta (unknown origin) assessed as inhibition constant
50021193	19	ChEMBL_2436716	Binding affinity to human KRAS G12S mutant assessed as inhibition constant
50021193	20	ChEMBL_2436718	Inhibition of CRBN (unknown origin)
50021195	1	ChEMBL_2436723	Inhibition of flag-tagged CARM1 (unknown origin) methyltransferase activity expressed in HEK293T cells using H3R17 peptide and SAM as substrate by MTase-Glo reagent based luminometer analysis
50021195	2	ChEMBL_2436736	Binding affinity to CM5 sensorchip immobilized flag-tagged CARM1 (unknown origin) expressed in HEK293T cells assessed as dissociation constant by surface plasmon resonance assay
50021197	1	ChEMBL_2436997	Inhibition of c-Met (unknown origin) incubated for 40 mins in presence of ATP by Kinase-Lumi kinase assay
50021197	2	ChEMBL_2437004	Inhibition of LPO (unknown origin)-mediated L-tyrosine nitration incubated for 20 mins in presence of H2O2 and sodium nitrite by RP-HPLC analysis
50021198	1	ChEMBL_2437021	Inhibition of IRE1alpha RNase activity (unknown origin) using XBP1 as substrate preincubated for 1 hr followed by thapsigargin stimulation for 5 hrs by One-Glo luciferase reagent based luminescence assay
50021198	2	ChEMBL_2437022	Inhibition of IRE1alpha RNase activity (Q470 to L977 residues) (unknown origin) expressed in Sf9 cells using mini-XBP-1 stem-loop RNA as substrate measured every 2 mins interval for 50 mins by FRET assay
50021198	3	ChEMBL_2437023	Inhibition of His-tagged IRE1alpha (G547 to L977 residues) (unknown origin) expressed in Sf9 cells preincubated with anti-His Europium labeled antibody for 1 hr prior to compound addition followed by tracer 236 addition and measured after 1 hr by TR-FRET assay
50021198	4	ChEMBL_2437042	Inhibition of IRE1alpha in human KMS-11 cells assessed as reduction in XBP1 splicing preincubated for 24 hrs followed by thapsigargin addition and measured after 30 mins by luminescence assay
50021198	5	ChEMBL_2437043	Inhibition of IRE1alpha in human KMS-11 cells assessed as reduction in XBP1 splicing preincubated for 24 hrs followed by thapsigargin addition and measured after 30 mins under FCS medium by luminescence assay
50021198	6	ChEMBL_2437044	Inhibition of IRE1alpha RNase activity (unknown origin) using XBP1 as substrate preincubated for 1 hr followed by thapsigargin stimulation for 5 hrs under FCS medium by One-Glo luciferase reagent based luminescence assay
50021199	1	ChEMBL_2437049	Inhibition of SARS-CoV2 main protease using Boc-Abu-Tle-Leu-Gln-AMC as substrate preincubated for 5 mins followed by enzyme addition and measured after 60 mins by fluorometric assay
50021199	2	ChEMBL_2437052	Inhibition of human cathepsin L using Z-Phe-Arg-pNA as substrate incubated for 60 mins
50021199	3	ChEMBL_2437054	Inhibition of cathepsin B (unknown origin) using Z-Arg-Arg-pNA as substrate incubated for 60 mins
50021199	4	ChEMBL_2437056	Inhibition of recombinant human cathepsin S using Z-Phe-Arg-AMC as substrate incubated for 60 mins
50021199	5	ChEMBL_2437060	Inhibition of SARS-CoV2 main protease using Dabcyl-Lys-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-EDAN as substrate measured after 60 mins
50021199	6	ChEMBL_2437068	Inhibition of SARS-CoV2 main protease using fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 4 hrs by fluorescence based plate reader assay
50021200	1	ChEMBL_2437070	Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 120 mins in presence of haloperidol by microbeta scintillation counting analysis
50021200	2	ChEMBL_2437074	Displacement of [3H]di-o-tolylguanidine from human sigma 2 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 120 mins in presence of haloperidol by microbeta scintillation counting analysis
50021200	3	ChEMBL_2437084	Inhibition of 5-HT2B receptor (unknown origin)
50021200	4	ChEMBL_2437087	Inhibition of 5-HT1A receptor (unknown origin)
50021200	5	ChEMBL_2437088	Inhibition of alpha 1A adrenergic receptor (unknown origin)
50021200	6	ChEMBL_2437089	Inhibition of alpha 2A adrenergic receptor (unknown origin)
50021200	7	ChEMBL_2437090	Inhibition of dopamine transporter (unknown origin)
50021200	8	ChEMBL_2437091	Inhibition of mu opioid receptor (unknown origin)
50021200	9	ChEMBL_2437092	Inhibition of kappa opioid receptor (unknown origin)
50021200	10	ChEMBL_2437093	Inhibition of delta opioid receptor (unknown origin)
50021200	11	ChEMBL_2437094	Inhibition of histamine H1 receptor (unknown origin)
50021200	12	ChEMBL_2437095	Inhibition of norepinephrine transporter (unknown origin)
50021200	13	ChEMBL_2437110	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50021200	14	ChEMBL_2437111	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50021201	1	ChEMBL_2437160	Inhibition of recombinant Candida albicans SC5314 Erg6 methyltransferase activity using zymosterol as substrate incubated for 15 mins followed by substrate addition by liquid scintillation counter analysis
50021202	1	ChEMBL_2437210	Inhibition of CD45 (620 to 1236 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	2	ChEMBL_2437211	Inhibition of laforin (1 to 331 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	3	ChEMBL_2437212	Inhibition of mouse MKP-5 (320 to 647 residues) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	4	ChEMBL_2437213	Inhibition of SHP-2 (224 to 528 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	5	ChEMBL_2437214	Inhibition of SHP-1 (245 to 543 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	6	ChEMBL_2437215	Inhibition of human CDC14A using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	7	ChEMBL_2437216	Inhibition of TCPTP (1 to 387 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	8	ChEMBL_2437217	Inhibition of PTP1B (1 to 321 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	9	ChEMBL_2437218	Inhibition of LYP (1 to 294 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	10	ChEMBL_2437219	Inhibition of STEP (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	11	ChEMBL_2437221	Competitive inhibition of human CDC14A using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	12	ChEMBL_2437222	Competitive inhibition of human CDC14B using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	13	ChEMBL_2437223	Inhibition of human CDC14B using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	14	ChEMBL_2437231	Inhibition of FAP-1 (2124 to 2485 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	15	ChEMBL_2437236	Reversible competitive inhibition of human CDC14A using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	16	ChEMBL_2437237	Reversible competitive inhibition of human CDC14B using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	17	ChEMBL_2437238	Inhibition of VHZ (1 to 150 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	18	ChEMBL_2437239	Inhibition of HePTP (22 to 360 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	19	ChEMBL_2437240	Inhibition of PEST (5 to 304 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	20	ChEMBL_2437241	Inhibition of PTP-alpha (173 to 793 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	21	ChEMBL_2437242	Inhibition of PTP-epsilon (107 to 697 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021202	22	ChEMBL_2437243	Inhibition of LMPTP (1 to 158 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate incubated for 10 mins by fluorescence based assay
50021204	1	ChEMBL_2437356	Inhibition of GST-tagged human PARP1 incubated for 30 mins by chemiluminescence based UV/visible spectrophotometric analysis
50021204	2	ChEMBL_2437357	Inhibition of GST-tagged human PARP2 incubated for 30 mins by chemiluminescence based UV/visible spectrophotometric analysis
50021204	3	ChEMBL_2437359	Inhibition of PARP1 (unknown origin) incubated for 1 hrs in presence of NAD and DNA by ELISA
50021204	4	ChEMBL_2437385	Binding affinity to PAPR1 (unknown origin) assessed as equilibrium dissociation constant by SPR analysis
50021204	5	ChEMBL_2437472	Inhibition of PARP-1 (unknown origin)
50021204	6	ChEMBL_2437473	Inhibition of PARP-2 (unknown origin)
50021206	1	ChEMBL_2437482	Inhibition of human CA1 (alpha) catalytic activity assessed as inhibition constant by CO2 hydration - stopped-flow kinetic assay
50021206	2	ChEMBL_2437483	Inhibition of human CA2 (alpha) catalytic activity assessed as inhibition constant by CO2 hydration - stopped-flow kinetic assay
50021208	1	ChEMBL_2437534	Inhibition of human VRK1 (3 to 364 residues) expressed in Escherichia coli BL21 (DE3)-R3 cells assessed as inhibition constant using human histone H3 peptide as substrate preincubated for 30 mins followed by substrate and ATP addition incubated for 60 mins by Cheng-Prusoff equation based TR-FRET assay
50021208	2	ChEMBL_2437553	Inhibition of full-length VRK2 (unknown origin) assessed as inhibition constant using human histone H3 peptide as substrate preincubated for 30 mins followed by substrate and ATP addition incubated for 60 mins by Cheng-Prusoff equation based TR-FRET assay
50021208	3	ChEMBL_2437556	Inhibition of full-length VRK2 (unknown origin) using human histone H3 peptide as substrate preincubated for 30 mins followed by substrate and ATP addition incubated for 60 mins by Cheng-Prusoff equation based TR-FRET assay
50021208	4	ChEMBL_2437557	Inhibition of human CK1 delta assessed as inhibition constant by Cheng-Prusoff equation analysis
50021208	5	ChEMBL_2437558	Inhibition of human CK1 epsilon assessed as inhibition constant by Cheng-Prusoff equation analysis
50021208	6	ChEMBL_2437559	Inhibition of human ROCK2 assessed as inhibition constant by Cheng-Prusoff equation analysis
50021208	7	ChEMBL_2437560	Inhibition of human RSK4 assessed as inhibition constant by Cheng-Prusoff equation analysis
50021208	8	ChEMBL_2437561	Inhibition of human RSK2 assessed as inhibition constant by Cheng-Prusoff equation analysis
50021208	9	ChEMBL_2437585	Inhibition of N-terminal His6-tagged rat RSK1 expressed in baculovirus infected Sf21 cells using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide as substrate incubated for 10 mins in presence of [gamma-32p]ATP
50021208	10	ChEMBL_2437586	Inhibition of N-terminal His6-tagged human RSK2 expressed in baculovirus infected Sf21 cells using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide as substrate incubated for 10 mins in presence of [gamma-32p]ATP
50021208	11	ChEMBL_2437587	Inhibition of RSK3 (14 to 462 residues) (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide as substrate incubated for 10 mins in presence of [gamma-32p]ATP
50021208	12	ChEMBL_2437588	Inhibition of RSK4 (14 to 702 residues) (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK peptide as substrate incubated for 10 mins in presence of [gamma-32p]ATP
50021209	1	ChEMBL_2437589	Inhibition of human KCNT1 (98 to 354 residues) expressed in CHO cells assessed as reduction in thallium fluorescent signal incubated for 15 mins followed by LOX addition measured after 15 mins by FluxOR green dye based fluorescence analysis
50021209	2	ChEMBL_2437598	Inhibition of human Kv7.2 transiently transfected in CHO cells at -100 mV holding potential by whole-cell patch clamp electrophysiology method
50021209	3	ChEMBL_2437601	Inhibition of human KCNT1 (98 to 354 residues) expressed in CHO cells at +60 mV holding potential by whole-cell patch clamp electrophysiology method
50021209	4	ChEMBL_2437607	Inhibition of human KCNT2 expressed in HEK cells at +60 mV holding potential by whole-cell patch clamp electrophysiology method
50021209	5	ChEMBL_2437612	Inhibition of human KCNT1 expressed in CHO cells by whole-cell patch clamp electrophysiology method relative to control
50021210	1	ChEMBL_2437613	Agonist activity at TLR7 (unknown origin)
50021210	2	ChEMBL_2437614	Agonist activity at human TLR7 expressed in HEK-Blue hTLR8 cells by spectrophotometric analysis
50021210	3	ChEMBL_2437615	Agonist activity at human TLR7 expressed in HEK-blue TLR cells measured for 18 to 19 hrs by SEAP reporter gene based assay
50021210	4	ChEMBL_2437616	Agonist activity at human TLR8 expressed in HEK-blue TLR cells measured for 18 to 19 hrs by SEAP reporter gene based assay
50021210	5	ChEMBL_2437619	Agonist activity at mouse TLR7 expressed in HEK293 cells co-expressing NF-kappaB/AP-1 inducible SEAP reporter gene measured for 24 hrs by colorimetric analysis
50021211	1	ChEMBL_2437717	Binding affinity to 5-HT2B receptor (unknown origin) assessed as inhibition constant
50021212	1	ChEMBL_2437756	Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 30 mins by thallium flux assay
50021212	2	ChEMBL_2437757	Inhibition of human ROMK expressed in T-REX-CHO cells incubated for 3 to 8 mins by whole cell manual patch clamp assay
50021212	3	ChEMBL_2437767	Inhibition of Kir 2.1 (unknown origin)
50021212	4	ChEMBL_2437768	Inhibition of Kir 2.3 (unknown origin)
50021212	5	ChEMBL_2437769	Inhibition of Kir 4.1 (unknown origin)
50021212	6	ChEMBL_2437770	Inhibition of Kir 7.1 (unknown origin)
50021212	7	ChEMBL_2437791	Activation of PXR (unknown origin)
50021212	8	ChEMBL_2437793	Inhibition of OCT1 (unknown origin)
50021212	9	ChEMBL_2437794	Inhibition of MATE1 (unknown origin)
50021212	10	ChEMBL_2437795	Inhibition of OCT2 (unknown origin)
50021212	11	ChEMBL_2437796	Inhibition of BSEP (unknown origin)
50021212	12	ChEMBL_2437797	Inhibition of OATP1B1 (unknown origin)
50021212	13	ChEMBL_2437798	Inhibition of OATP1B3 (unknown origin)
50021212	14	ChEMBL_2437799	Inhibition of NTCP (unknown origin)
50021212	15	ChEMBL_2437800	Inhibition of MRP2 (unknown origin)
50021212	16	ChEMBL_2437801	Inhibition of OAT1 (unknown origin)
50021212	17	ChEMBL_2437802	Inhibition of OAT3 (unknown origin)
50021212	18	ChEMBL_2437803	Inhibition of PGP (unknown origin)
50021212	19	ChEMBL_2437804	Inhibition of BCRP (unknown origin)
50021214	1	ChEMBL_2437842	Binding affinity to human ERalpha assessed as inhibition constant incubated under dark condition for 2 hrs by competitive fluorometric binding assay
50021214	2	ChEMBL_2437843	Binding affinity to human ERbeta assessed as inhibition constant incubated under dark condition for 2 hrs by competitive fluorometric binding assay
50021214	3	ChEMBL_2437847	Inhibition of recombinant human aromatase using ARO substrate/NADP+ mixture by fluorescence assay
50021215	1	ChEMBL_2437888	Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential measured after 5 mins by two electrode voltage-clamp electrophysiology method
50021215	2	ChEMBL_2437889	Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential measured after 5 mins by two electrode voltage-clamp electrophysiology method
50021215	3	ChEMBL_2437890	Antagonist activity at human alpha3beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential measured after 5 mins by two electrode voltage-clamp electrophysiology method
50021215	4	ChEMBL_2437891	Antagonist activity at human alpha9 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential measured after 5 mins by two electrode voltage-clamp electrophysiology method
50021215	5	ChEMBL_2437892	Antagonist activity at human alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of Ach-induced response at -70 mV holding potential measured after 5 mins by two electrode voltage-clamp electrophysiology method
50021218	1	ChEMBL_2437908	Inhibition of C-terminal biotinylated tetra-acetylated histone peptide H4 binding to His6-fused human CBP bromodomain (R1081 to G1197 residues) incubated for 1 hrs by HTRF assay
50021218	2	ChEMBL_2437909	Inhibition of C-terminal biotinylated tetra-acetylated histone peptide H4 binding to His6-fused human p300 bromodomain (A1040 to G1161 residues) incubated for 1 hrs by HTRF assay
50021218	3	ChEMBL_2437910	Inhibition of biotinylated thalidomide binding to CRBN (40 to 442 residues) (unknown origin) incubated for 1 hrs by HTRF assay
50021218	4	ChEMBL_2437939	Inhibition of CBP (unknown origin) using histone H3 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate and [3H]Ac-CoA addition and measured after 60 mins by liquid scintillation counting analysis
50021218	5	ChEMBL_2437940	Inhibition of p300 (unknown origin) using histone H3 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate and [3H]Ac-CoA addition and measured after 60 mins by liquid scintillation counting analysis
50021218	6	ChEMBL_2437941	Binding affinity to CBP (unknown origin) by HTRF assay
50021219	1	ChEMBL_2438006	Displacement of radioligand R-PIA from human adenosine A1 receptor expressed in CHO cell membrane incubated for 30 mins by microplate beta scintillation counting analysis
50021219	2	ChEMBL_2438007	Displacement of radioligand CGS21680 from human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 30 mins by microplate beta scintillation counting analysis
50021219	3	ChEMBL_2438008	Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membrane incubated for 30 mins by microplate beta scintillation counting analysis
50021219	4	ChEMBL_2438009	Displacement of radioligand I-AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane incubated for 30 mins by microplate beta scintillation counting analysis
50021222	1	ChEMBL_2438049	Inhibition of human Wee1 (215 to 647 residues) using polyornithine/tyrosine (4:1) as substrate incubated for 5 mins in presence of ATP by micro beta plate reader analysis
50021222	2	ChEMBL_2438061	Inhibition of Wee1 in human U2OS cells assessed as reduction in CDK1 phosphorylation measured for 1 hr by Western blot analysis
50021223	1	ChEMBL_2438093	Modulation of human gamma-secretase assessed as reduction in amyloidbeta42 level in plasma by ELISA analysis
50021223	2	ChEMBL_2438094	Modulation of human gamma-secretase assessed as reduction in amyloidbeta42 level by ELISA analysis
50021223	3	ChEMBL_2438095	Modulation of gamma-secretase in human SH-SY5Y cells assessed as reduction in amyloidbeta42 level measured for 18 hrs by ELISA analysis
50021223	4	ChEMBL_2438096	Modulation of gamma-secretase in human SH-SY5Y cells expressing wild-type human APP751 assessed as reduction in amyloidbeta42 level measured for 24 hrs by ELISA analysis
50021223	5	ChEMBL_2438105	Inhibition of NICD (unknown origin)
50021225	1	ChEMBL_2438144	Inhibition of NLRP3 inflammasome activation in LPS primed human differentiated THP-M cells derived PMA induced THP-1 cells assessed as inhibition of IL-1 beta level preincubated with compound for 24 hrs followed by LPS stimulation for 3 hrs and further incubated with ATP for 1 hr by ELISA method
50021225	2	ChEMBL_2438162	Binding affinity to biotinylated NLRP3 PYD domain (unknown origin) assessed as dissociation constant by Biolayer Interferometry assay
50021225	3	ChEMBL_2438163	Binding affinity to biotinylated NLRP3 NACHT domain (unknown origin) assessed as dissociation constant by Biolayer Interferometry assay
50021225	4	ChEMBL_2438210	Binding affinity to human recombinant PKR assessed as dissociation constant by Biolayer Interferometry assay
50021226	1	ChEMBL_2438224	Competitive binding affinity to CXCR4 (unknown origin) assessed as inhibition of CXCR4 to TN14003 interaction preincubated for 10 mins followed by compound washout and subsequent TN14003 addition for 30 mins prior to incubation under dark condition for 30 mins by DAPI staining based laser scanning confocal microscopic analysis
50021227	1	ChEMBL_2438369	Binding affinity to NHS-LC-biotin-labeled P2Y14R (unknown origin) immobilized in SSA sensor assessed as dissociation constant by BLI assay
50021229	1	ChEMBL_2438421	Inhibition of human recombinant ASM (His62 to Pro628 residues) using HMU-PC as substrate incubated for 2 hrs by fluorescence based analysis
50021229	2	ChEMBL_2438480	Inhibition of bovine brain acidic sphingomyelinase using NBD-sphingomyelin as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins
50021229	3	ChEMBL_2438481	Inhibition of ASM (unknown origin)
50021230	1	ChEMBL_2438483	Inhibition of recombinant HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase activity incubated for 30 mins by liquid scintillation method
50021230	2	ChEMBL_2438485	Inhibition of N-terminal 6-his-tagged HIV-1 reverse transcriptase RNase H (427 to 560 residues) transfected in Escherichia coli BL21 (DE3)
50021230	3	ChEMBL_2438487	Inhibition of recombinant HIV-1 reverse transcriptase associated RNase H expressed in Escherichia coli BL21 (DE3) using 5-GTTTTCTTTTCCCCCCTGAC-3 Fluorescein/5CAAAAGAAAAGGGGGGACUG-3-Dabcyl as substrate incubated for 1 hr by multilabel counter plate reader method
50021230	4	ChEMBL_2438491	Inhibition of HIV-1 RNase H
50021230	5	ChEMBL_2438492	Inhibition of HIV-1 RNase H polymerase activity
50021230	6	ChEMBL_2438499	Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymerase
50021231	1	ChEMBL_2438515	Inhibition of NAMPT (unknown origin) using NAM as substrate pre-treated for 15 mins followed by substrate addition incubated for 60 mins by fluorescence based microplate reader analysis
50021231	2	ChEMBL_2438517	Inhibition of N-terminal 6His-tagged human NAMPT (unknown origin) expressed in Escherichia coli Rosetta (DE) cells incubated for 1 hr by bradford assay
50021231	3	ChEMBL_2438522	Inhibition of NAMPT (unknown origin)
50021231	4	ChEMBL_2438537	Inhibition of EGFR L858R mutant (unknown origin)
50021231	5	ChEMBL_2438538	Inhibition of human EGFR L861Q mutant by discoverX kinome scan assay
50021231	6	ChEMBL_2438539	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorescence based analysis
50021232	1	ChEMBL_2438560	Inhibition of 5-LOX (unknown origin)
50021232	2	ChEMBL_2438561	Inhibition of Candida albicans ATCC SC5314 CYP51 using lanosterol as substrate incubated for 30 mins by HPLC assay
50021233	1	ChEMBL_2438566	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins
50021233	2	ChEMBL_2438567	Binding affinity to mushroom tyrosinase assessed as binding constant by fluorescence spectrophotometry
50021233	3	ChEMBL_2438568	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by spectrophotometric method
50021233	4	ChEMBL_2438569	Inhibition of mushroom tyrosinase using L-DOPA as substrate pre-treated for 10 mins followed by substrate addition measured for 20 mins by spectrophotometric analysis
50021233	5	ChEMBL_2438570	Inhibition of mushroom tyrosinase
50021233	6	ChEMBL_2438572	Inhibition of mushroom tyrosinase using L-dopa as substrate by spectrophotometric method
50021233	7	ChEMBL_2438573	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 20 mins
50021233	8	ChEMBL_2438574	Inhibition of mushroom tyrosinase by spectrophotometric method
50021233	9	ChEMBL_2438575	Binding affinity to mushroom tyrosinase assessed as inhibition constant
50021233	10	ChEMBL_2438576	Inhibition of C-terminal His-tagged truncated form of human tyrosinase using L-DOPA as substrate by spectrophotometric assay
50021233	11	ChEMBL_2438577	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 15 mins by spectrophotometric analysis
50021233	12	ChEMBL_2438578	Inhibition of mushroom tyrosinase using L-DOPA as substrate measured for 15 mins by spectrophotometer analysis
50021233	13	ChEMBL_2438579	Competitive inhibition of His-tagged human tyrosinase expressed in HEK293 cells
50021233	14	ChEMBL_2438580	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 20 mins spectrophotometric analysis
50021233	15	ChEMBL_2438581	Inhibition of mushroom tyrosinase incubated for 10 mins by spectrophotometric analysis
50021233	16	ChEMBL_2438582	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins by absorbance based analysis
50021233	17	ChEMBL_2438583	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 20 mins followed by substrate addition incubated for 10 mins by absorbance based analysis
50021233	18	ChEMBL_2438584	Inhibition of mushroom tyrosinase using L-DOPA as substrate pre-treated for 20 mins followed by substrate addition measured for 15 mins by absorbance based analysis
50021233	19	ChEMBL_2438586	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 20 mins by spectrophotometric analysis
50021233	20	ChEMBL_2438587	Inhibition of mushroom tyrosinase using L-tyr as substrate
50021234	1	ChEMBL_2438608	Inhibition of Staphylococcus aureus DNA gyrase incubated for 30 mins by fluorescence based analysis
50021234	2	ChEMBL_2438623	Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated supercoiling of relaxed plasmid by fluorescence polarization assay
50021234	3	ChEMBL_2438624	Inhibition of Staphylococcus aureus DNA gyrase
50021236	1	ChEMBL_2438633	Antagonist activity at capsaicin-induced human TRPV1 activation
50021236	2	ChEMBL_2438634	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50021236	3	ChEMBL_2438635	Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50021236	4	ChEMBL_2438636	Antagonist activity at rat TRPV1 assessed as inhibition of pH-induced increase in intracellular Ca2+ level
50021236	5	ChEMBL_2438637	Binding affinity to human TRPV1 expressed in HEK293 cells assessed as inhibition constant
50021236	6	ChEMBL_2438638	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH-induced increase in intracellular Ca2+ level by calcium flux assay
50021236	7	ChEMBL_2438639	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of heat shock (45 degreeC)-induced increase in intracellular Ca2+ level by calcium flux assay
50021236	8	ChEMBL_2438640	Inhibition of rat TRPV1 assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level
50021236	9	ChEMBL_2438641	Inhibition of COX-2 (unknown origin)
50021236	10	ChEMBL_2438642	Inhibition of 5-LOX (unknown origin)
50021236	11	ChEMBL_2438643	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH-induced increase in intracellular Ca2+ level by fluorescence based analysis
50021236	12	ChEMBL_2438644	Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level
50021236	13	ChEMBL_2438645	Antagonist activity at human TRPV1 assessed as inhibition of pH-induced increase in intracellular Ca2+ level
50021236	14	ChEMBL_2438646	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level incubated for 2 mins by scintillation counter analysis
50021236	15	ChEMBL_2438647	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of NADA-induced increase in intracellular Ca2+ level incubated for 2 mins by scintillation counter analysis
50021236	16	ChEMBL_2438648	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of resiniferatoxin-induced increase in intracellular Ca2+ level
50021236	17	ChEMBL_2438649	Binding affinity to human TRPV1 assessed as inhibition constant
50021236	18	ChEMBL_2438650	Binding affinity to MOR (unknown origin) assessed as inhibition constant
50021236	19	ChEMBL_2438651	Antagonist activity at human TRPV1
50021236	20	ChEMBL_2438653	Antagonist activity at rat TRPV1 assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level
50021236	21	ChEMBL_2438654	Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced increase in intracellular Ca2+ level
50021236	22	ChEMBL_2438655	Antagonist activity at human TRPV1 assessed as inhibition of AITC-induced increase in intracellular Ca2+ level
50021236	23	ChEMBL_2438656	Antagonist activity at rat TRPA1 assessed as inhibition of capsaicin-induced increase in Ca2+ flux
50021236	24	ChEMBL_2438658	Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx by fluorescence based assay
50021237	1	ChEMBL_2438965	Binding affinity to PLK1 PBD (unknown origin) by ITC method
50021238	1	ChEMBL_2439063	Inhibition of AXL (unknown origin)
50021238	2	ChEMBL_2439064	Inhibition of AXL (unknown origin) preincubated with compound for 20 mins followed by ATP addition and measured after 45 mins by mobility shift assay
50021238	3	ChEMBL_2439065	Inhibition of AXL (unknown origin) by ELISA analysis
50021241	1	ChEMBL_2439095	Inhibition of PARP1 (unknown origin) incubated for 70 mins by HT universal chemiluminescent assay
50021241	2	ChEMBL_2439098	Binding affinity to EZH2 (unknown origin) in PRC2 complex assessed as dissociation constant
50021241	3	ChEMBL_2439099	Inhibition of EZH2 (unknown origin) in PRC2 complex preincubated for 30 mins followed by H3K27me peptide and SAM addition incubated for 3 hrs by histone methyltransferase assay
50021243	1	ChEMBL_2439164	Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50021243	2	ChEMBL_2439165	Inhibition of equine BChE using BTCh as substrate incubated for 5 mins by Ellmans method
50021243	3	ChEMBL_2439168	Inhibition of electric eel AChE by Ellman's method
50021243	4	ChEMBL_2439175	Inhibition of Electric eel AChE
50021245	1	ChEMBL_2439182	Inhibition of recombinant NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using meropenem as substrate by spectrometric analysis
50021245	2	ChEMBL_2439186	Non-competitive inhibition of recombinant NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using meropenem as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50021246	1	ChEMBL_2439282	Inhibition of HDAC in human HeLa cells nuclear extract
50021246	2	ChEMBL_2439304	Inhibition of recombinant human HDAC1 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	3	ChEMBL_2439305	Inhibition of recombinant human HDAC2 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	4	ChEMBL_2439306	Inhibition of recombinant human HDAC3 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	5	ChEMBL_2439307	Inhibition of recombinant human HDAC4 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	6	ChEMBL_2439308	Inhibition of recombinant human HDAC5 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	7	ChEMBL_2439309	Inhibition of recombinant human HDAC6 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	8	ChEMBL_2439310	Inhibition of recombinant human HDAC7 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	9	ChEMBL_2439311	Inhibition of recombinant human HDAC8 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	10	ChEMBL_2439312	Inhibition of recombinant human HDAC9 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	11	ChEMBL_2439313	Inhibition of recombinant human HDAC10 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021246	12	ChEMBL_2439314	Inhibition of recombinant human HDAC11 using acetylated luminogenic substrate incubated for 10 mins by ultra-glo recombinant firefly luciferase based luminescence assay
50021248	1	ChEMBL_2439387	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	2	ChEMBL_2439388	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	3	ChEMBL_2439390	Inhibition of HDAC2 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	4	ChEMBL_2439391	Inhibition of HDAC3 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	5	ChEMBL_2439392	Inhibition of HDAC8 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	6	ChEMBL_2439393	Inhibition of HDAC4 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	7	ChEMBL_2439394	Inhibition of HDAC5 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	8	ChEMBL_2439395	Inhibition of HDAC7 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	9	ChEMBL_2439396	Inhibition of HDAC9 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	10	ChEMBL_2439397	Inhibition of HDAC10 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021248	11	ChEMBL_2439398	Inhibition of HDAC11 (unknown origin) incubated for 30 mins by fluorescence plate reader assay
50021249	1	ChEMBL_2439515	Binding affinity to PELI1 FHA domain (unknown origin) expressed in Escherichia coli BL21(DE3) competent cell measured after 1 min by fluorescence quenching assay
50021250	1	ChEMBL_2439781	Inhibition of HIV1 Vif
50021252	1	ChEMBL_2439809	Inhibition of wild type EGFR (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of ATP by HTRF assay
50021252	2	ChEMBL_2439810	Inhibition of EGFR Del19/T790M (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of ATP by HTRF assay
50021252	3	ChEMBL_2439811	Inhibition of EGFR L858R/T790M (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of ATP by HTRF assay
50021252	4	ChEMBL_2439812	Inhibition of EGFR Del19/T790M/C797S triple mutant (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of ATP by HTRF assay
50021252	5	ChEMBL_2439813	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins in presence of ATP by HTRF assay
50021253	1	ChEMBL_2439993	Competitive inhibition of DYRK1A (unknown origin)
50021253	2	ChEMBL_2439994	Inhibition of human DYRK1A using KKISGRLSPIMTEQ as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by radioactivity based assay
50021253	3	ChEMBL_2439995	Inhibition of C-terminal FLAG-tagged recombinant human DYRK1A (126 to 490 residues) expressed in Escherichia coli incubated for 10 mins in presence of [gamma-33P]-ATP by radioactivity based liquid scintillation counter
50021253	4	ChEMBL_2439996	Inhibition of recombinant 6His-tagged rat DYRK1A (1 to 502 residues) expressed in Escherichia coli BL21 (DE3) cells using KISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP by absorbance based assay
50021253	5	ChEMBL_2439997	Inhibition of DYRK1A (unknown origin) using KISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP by UFLC-based fluorimetric analysis
50021255	1	ChEMBL_2440013	Inhibition of RIPK1 (unknown origin) in presence of ATP by kinaseProfiler assay
50021255	2	ChEMBL_2440044	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant
50021255	3	ChEMBL_2440045	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant
50021255	4	ChEMBL_2440046	Binding affinity to MLKL (unknown origin) assessed as dissociation constant
50021256	1	ChEMBL_2440128	Inhibition of PI3Kbeta (unknown origin) by ADP-Glo assay
50021256	2	ChEMBL_2440129	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50021256	3	ChEMBL_2440130	Inhibition of PI3Kalpha (unknown origin) by kinase profiling assay
50021256	4	ChEMBL_2440131	Inhibition of PI3Kgamma (unknown origin) by ADP-Glo assay
50021256	5	ChEMBL_2440132	Inhibition of PI3Kdelta (unknown origin) by ADP-Glo assay
50021256	6	ChEMBL_2440133	Inhibition of HDAC2 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021256	7	ChEMBL_2440134	Inhibition of HDAC3 (unknown origin) by HTRF assay
50021256	8	ChEMBL_2440135	Inhibition of HDAC10 (unknown origin) by fluorescence based analysis
50021256	9	ChEMBL_2440136	Inhibition of full length wild type PI3Kalpha (unknown origin)
50021256	10	ChEMBL_2440137	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr by HTRF assay
50021256	11	ChEMBL_2440138	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presence of ATP by ADP-Glo assay
50021256	12	ChEMBL_2440139	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presence of ATP by ADP-Glo assay
50021256	13	ChEMBL_2440140	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured for 1 hr in presence of ATP by ADP-Glo assay
50021256	14	ChEMBL_2440141	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by fluorescence based analysis
50021256	15	ChEMBL_2440142	Inhibition of HDAC2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorescence based analysis
50021256	16	ChEMBL_2440143	Inhibition of HDAC3 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by substrate addition for 1 hr by fluorescence based analysis
50021256	17	ChEMBL_2440144	Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence assay
50021256	18	ChEMBL_2440145	Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assay
50021256	19	ChEMBL_2440146	Inhibition of mTOR (unknown origin)
50021256	20	ChEMBL_2440147	Inhibition of PI3Kalpha (unknown origin)
50021256	21	ChEMBL_2440148	Inhibition of HDAC6 (unknown origin) by fluorescence based assay
50021256	22	ChEMBL_2440149	Inhibition of HDAC8 (unknown origin) by fluorescence based assay
50021256	23	ChEMBL_2440150	Inhibition of PI3Kalpha (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50021256	24	ChEMBL_2440151	Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50021256	25	ChEMBL_2440152	Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50021256	26	ChEMBL_2440153	Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence polarization assay
50021256	27	ChEMBL_2440154	Inhibition of His-tagged PI3Kalpha (unknown origin) in the presence of ATP by kinase hotspot assay
50021256	28	ChEMBL_2440155	Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 30 mins followed by substrate and ATP addition and measured after 1 hr by biotinylated-PIP3 based alphascreen assay
50021256	29	ChEMBL_2440156	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assay
50021256	30	ChEMBL_2440157	Binding affinity to mTORC1 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50021256	31	ChEMBL_2440158	Binding affinity to PI3Kalpha (unknown origin) assessed as inhibition constant
50021256	32	ChEMBL_2440159	Binding affinity to PI3Kbeta (unknown origin) assessed as inhibition constant
50021256	33	ChEMBL_2440160	Binding affinity to PI3Kgamma (unknown origin) assessed as inhibition constant
50021256	34	ChEMBL_2440161	Binding affinity to PI3Kdelta (unknown origin) assessed as inhibition constant
50021256	35	ChEMBL_2440162	Binding affinity to mTOR (unknown origin) assessed as inhibition constant
50021256	36	ChEMBL_2440163	Binding affinity to mTORC2 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50021256	37	ChEMBL_2440166	Inhibition of C-terminal His-tagged human recombinant PARP-1 (1 to 1014 residues) expressed in Sf9 insect cells incubated for 1 hr by scintillation proximity assay
50021256	38	ChEMBL_2440167	Inhibition of PARP-2 (unknown origin)
50021256	39	ChEMBL_2440168	Inhibition of BRD4 (unknown origin) by TR-FRET assay
50021256	40	ChEMBL_2440169	Inhibition of PI3Kgamma (unknown origin)
50021256	41	ChEMBL_2440170	Inhibition of PI3Kdelta (unknown origin)
50021256	42	ChEMBL_2440171	Inhibition of BRD4-BD1 (unknown origin) by fluorescence polarization method
50021256	43	ChEMBL_2440172	Inhibition of BRD4 (unknown origin) by alpha-screen assay
50021256	44	ChEMBL_2440173	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50021256	45	ChEMBL_2440174	Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50021256	46	ChEMBL_2440175	Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50021256	47	ChEMBL_2440176	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50021256	48	ChEMBL_2440177	Inhibition of EGFR (unknown origin)
50021256	49	ChEMBL_2440180	Inhibition of MEK1 (unknown origin)
50021256	50	ChEMBL_2440181	Inhibition of PI3Kbeta (unknown origin)
50021256	51	ChEMBL_2440182	Inhibition of human MEK1
50021256	52	ChEMBL_2440185	Inhibition of human ERK2 by discoverX kinome scan assay
50021256	53	ChEMBL_2440186	Inhibition of human recombinant PI3Kalpha
50021256	54	ChEMBL_2440187	Inhibition of human recombinant PI3Kbeta
50021257	1	ChEMBL_2440224	Inhibition of human aromatase preincubated for 10 mins followed by NADP+/fluorogenic substrate mixture addition and measured for 60 mins by fluorimetric assay
50021257	2	ChEMBL_2440234	Binding affinity to human aromatase assessed as inhibition constant by Cheng-Prosuff equation based analysis
50021258	1	ChEMBL_2440244	Antagonist activity at human TRPC3 stably expressed in HEK293 cells inhibition of calcium influx by calcium fluorescence assay
50021258	2	ChEMBL_2440245	Antagonist activity at mouse TRPC4 stably expressed in HEK293 cells inhibition of calcium influx by calcium fluorescence assay
50021258	3	ChEMBL_2440246	Antagonist activity at human TRPC5 stably expressed in HEK293 cells inhibition of calcium influx by calcium fluorescence assay
50021258	4	ChEMBL_2440247	Antagonist activity at mouse TRPC6 stably expressed in HEK293 cells inhibition of calcium influx by calcium fluorescence assay
50021258	5	ChEMBL_2440248	Antagonist activity at human TRPC7 stably expressed in HEK293 cells inhibition of calcium influx by calcium fluorescence assay
50021258	6	ChEMBL_2440269	Antagonist activity at TRPC6 (unknown origin) assessed as inhibition of channel activity
50021258	7	ChEMBL_2440270	Antagonist activity at TRPC5 (unknown origin) assessed as inhibition of channel activity
50021258	8	ChEMBL_2440271	Antagonist activity at TRPC3 (unknown origin) assessed as inhibition of channel activity
50021259	1	ChEMBL_2440286	Displacement of BRC4-biotinylated peptide from human RAD51 by competitive ELISA
50021259	2	ChEMBL_2440293	Binding affinity to human wildtype His-tagged RAD51 assessed as dissociation constant by microscale thermophoresis assay
50021259	3	ChEMBL_2440294	Binding affinity to human His-tagged RAD51 monomeric form assessed as dissociation constant by microscale thermophoresis assay
50021259	4	ChEMBL_2440295	Binding affinity to human wildtype His-tagged RAD51 assessed as dissociation constant by 19F T2-NMR spectroscopy
50021259	5	ChEMBL_2440296	Binding affinity to human His-tagged RAD51 monomeric form assessed as dissociation constant by 19F T2-NMR spectroscopy
50021260	1	ChEMBL_2440326	Displacement of [125I][Sar1 Ile8]-angiotensin II binding to human AT2R expressed in HEK293 cells
50021260	2	ChEMBL_2440333	Inhibition of [125I][Sar1 Ile8]-angiotensin II binding to human AT1R expressed in HEK293 cells
50021261	1	ChEMBL_2440384	Inhibition of UCH-L1 (unknown origin) expressed in Escherichia coli BL21 (DE3)
50021261	2	ChEMBL_2440385	Inhibition of human UCH-L1
50021261	3	ChEMBL_2440386	Inhibition of recombinant wild type UCH-L1 (unknown origin) by fluorescence based analysis
50021261	4	ChEMBL_2440387	Inhibition of His-tagged UCH-L1 (unknown origin) expressed in Escherichia coli BL21 (DE3) by fluorescence based analysis
50021261	5	ChEMBL_2440388	Inhibition of full length wild type human USP7 expressed in Sf9 cells using Bac-to-Bac Baculovirus system by using ubiquitin-7-amido-4-methylcoumarin as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021261	6	ChEMBL_2440389	Inhibition of full length His-tagged human wild type USP7 expressed in Sf9 cells using bac-to-bac baculovirus system by using ubiquitin-AMC as substrate pre-incubated for 30 mins followed by substrate addition and measured after 1 hrs by fluorescence based analysis
50021261	7	ChEMBL_2440390	Inhibition of human recombinant full length Hexhis-tagged USP7 expressed in Sf9 cells using Ub-EKL as substrate by fluorescence based analysis
50021261	8	ChEMBL_2440391	Inhibition of full length human USP7 (1 to 1102 residues) expressed in Escherichia coli BL21 (DE3) using Ubiquitin-AMC as substrate pre-incubated for 30 mins followed by substrate addition measured for 60 mins by fluorescence based analysis
50021261	9	ChEMBL_2440392	Inhibition of full length His-tagged human recombinant USP7
50021261	10	ChEMBL_2440393	Inhibition of His-tagged USP7 (unknown origin) catalytic domain (208 to 560 residues) expressed in Sf9 cells by fluorescence based analysis
50021261	11	ChEMBL_2440394	Inhibition of USP7 (unknown origin) using Ub-Rh110 substrate by fluorescence based analysis
50021261	12	ChEMBL_2440395	Inhibition of C-terminal His-tagged human USP7 by TR-FRET assay
50021261	13	ChEMBL_2440396	Inhibition of USP7 (unknown origin)
50021261	14	ChEMBL_2440397	Inhibition of human recombinant GST-tagged USP7 expressed as Escherichia Rosetta 2 (DE3) cells incubated for 1 hr by fluorescence based analysis
50021261	15	ChEMBL_2440398	Inhibition of N-terminal USP7 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by FRET assay
50021261	16	ChEMBL_2440399	Inhibition of caspase-3 (unknown origin) by microplate reader analysis
50021261	17	ChEMBL_2440400	Inhibition of C-terminal 6-His tagged USP19 (unknown origin) (1 to 1290 residues) using Ub-Rh110MP as substrate by fluorescence based assay
50021261	18	ChEMBL_2440402	Inhibition of human USP2A (258 to 605 residues) expressed in Escherichia coli BL21 (DE3) using Ub-AMC as substrate pre-incubated for 30 mins followed by substrate addition measured for 1 hrs by FRET analysis
50021261	19	ChEMBL_2440403	Inhibition of USP28 (unknown origin)
50021261	20	ChEMBL_2440404	Inhibition of USP28 (unknown origin) expressed in Escherichia coli by fluorescence based analysis
50021261	21	ChEMBL_2440405	Inhibition of wild type UP28 (unknown origin) (1 to 651 residues) expressed in Escherichia coli BL21 (DE3) cells using Ub-AMC as substrate by fluorescence based analysis
50021261	22	ChEMBL_2440406	Inhibition of human recombinant UP28
50021261	23	ChEMBL_2440407	Inhibition of USP7 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ub-AMC as substrate at 5 uM by fluorescence based analysis
50021262	1	ChEMBL_2440499	Binding affinity to Alpha-synuclein (unknown origin) preformed fibrils assessed as dissociation constant by FP assay
50021262	2	ChEMBL_2440500	Binding affinity to tau (unknown origin) preformed fibrils assessed as dissociation constant by FP assay
50021264	1	ChEMBL_2440613	Agonist activity at TLR7 in HEK-Blue hTLR7 cells expressing NF-kappaB/AP-1 inducible SEAP assessed as increase in SEAP activity incubated for 24 hrs by QUANTI-Blue assay
50021264	2	ChEMBL_2440616	Agonist activity at TLR8 in HEK-Blue hTLR8 cells expressing NF-kappaB/AP-1 inducible SEAP assessed as increase in SEAP activity incubated for 24 hrs by QUANTI-Blue assay
50021264	3	ChEMBL_2440632	Binding affinity to recombinant mouse TLR7 assessed as dissociation constant by SPR analysis
50021265	1	ChEMBL_2440685	Binding affinity to human DC-SIGN CRD (264 to 399 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by SPR analysis
50021266	1	ChEMBL_2440697	Binding affinity to NAMPT (unknown origin) assessed as dissociation constant incubated for 30 mins by microscale thermophoresis analysis
50021267	1	ChEMBL_2440719	Inhibition of his6-tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 incubated for 16 hrs
50021268	1	ChEMBL_2440747	Inhibition of human DNA polymerase theta (67 to 970 residues) ATPase activity expressed in Sf9 insect cells incubated for 40 mins by ADP-glo assay
50021268	2	ChEMBL_2440748	Inhibition of DNA polymerase theta (unknown origin) (1 to 899 residues) ATPase activity by NADH oxidation-coupled enzymatic assay
50021268	3	ChEMBL_2440782	Inhibition of DNA polymerase theta (unknown origin) ATPase activity incubated for 60 mins in presence of ATP by ADP-glo kinase assay
50021268	4	ChEMBL_2440784	Inhibition of human PARP1 incubated for 90 mins by colorimetric assay
50021268	5	ChEMBL_2440808	Inhibition of DNA polymerase theta mediated TMEJ repair activity in HEK293 cells incubated for 24 hrs by Nano-glo luciferase assay
50021268	6	ChEMBL_2440809	Inhibition of PARP2 (unknown origin)
50021268	7	ChEMBL_2440810	Inhibition of PARP3 (unknown origin)
50021268	8	ChEMBL_2440811	Inhibition of PARP5a (unknown origin)
50021268	9	ChEMBL_2440812	Inhibition of PARP5b (unknown origin)
50021268	10	ChEMBL_2440813	Inhibition of PARP7 (unknown origin)
50021268	11	ChEMBL_2440814	Inhibition of PARP8 (unknown origin)
50021268	12	ChEMBL_2440815	Inhibition of PARP10 (unknown origin)
50021269	1	ChEMBL_2440852	Inhibition of PI3Kalpha (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared under dark condition) by ADP-Glo reagent based assay
50021269	2	ChEMBL_2440853	Inhibition of PI3Kalpha (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared in presence of 365 nm UV light irradiation) by ADP-Glo reagent based assay
50021269	3	ChEMBL_2440858	Inhibition of PI3Kbeta (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared under dark condition) by ADP-Glo reagent based assay
50021269	4	ChEMBL_2440859	Inhibition of PI3Kbeta (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared in presence of 365 nm UV light irradiation) by ADP-Glo reagent based assay
50021269	5	ChEMBL_2440860	Inhibition of PI3Kdelta (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared under dark condition) by ADP-Glo reagent based assay
50021269	6	ChEMBL_2440861	Inhibition of PI3Kdelta (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared in presence of 365 nm UV light irradiation) by ADP-Glo reagent based assay
50021269	7	ChEMBL_2440862	Inhibition of PI3Kgamma (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared under dark condition) by ADP-Glo reagent based assay
50021269	8	ChEMBL_2440863	Inhibition of PI3Kgamma (unknown origin) preincubated for 30 sec under shaking condition followed by 15 mins incubation at 25 degreeC and measured after 60 mins of substrate addition (compound prepared in presence of 365 nm UV light irradiation) by ADP-Glo reagent based assay
50021271	1	ChEMBL_2440956	Inhibition of P-gp in human Caco-2 cells using digoxin as substrate
50021272	1	ChEMBL_2441086	Inhibition of NaV 1.5 channel (unknown origin)
50021272	2	ChEMBL_2441087	Inhibition of Cav1.2 channel (unknown origin)
50021272	3	ChEMBL_2441089	Inhibition of KCNQ1/KCNE1 (unknown origin)
50021273	1	ChEMBL_2441124	Inhibition of human recombinant ENPP1 expressed in HEK293T cells using cGAMP as substrate at pH 7.5 measured after 3.5 hrs in presence of ATP by luminescence based AMP-glo assay
50021273	2	ChEMBL_2441125	Inhibition of ENPP1 in human MDA-MB-231 cells using p-Nph-5'-TMP as substrate at pH 9.5 measured after 60 mins by spectrophotometry based analysis
50021273	3	ChEMBL_2441126	Inhibition of human ENPP3 using p-Nph-5'-TMP incubated for 40 mins by absorbance based analysis
50021273	4	ChEMBL_2441127	Inhibition of human PDE4A using FAM-cAMP incubated for 30 mins by fluorescence polarization assay
50021273	5	ChEMBL_2441159	Binding affinity to ENPP1 (unknown origin) assessed as inhibition constant
50021273	6	ChEMBL_2441160	Inhibition of ENPP1 (unknown origin)
50021277	1	ChEMBL_2441247	Inhibition of His-tagged human Keap1 Kelch domain /FITC-labelled-9mer Nrf2 (unknown origin) protein-protein interaction incubated for 1 hr by fluorescence polarization assay
50021277	2	ChEMBL_2441248	Binding affinity to biotinylated Keap1 Kelch domain (unknown origin) by SPR method
50021280	1	ChEMBL_2441291	Binding affinity to human VISTA assessed as dissociation constant by MST analysis
50021280	2	ChEMBL_2441317	Binding affinity to mouse VISTA assessed as dissociation constant by MST analysis
50021280	3	ChEMBL_2441338	Binding affinity to human VISTA assessed as dissociation constant by SPR analysis
50021280	4	ChEMBL_2441339	Binding affinity to mouse VISTA ECD assessed as dissociation constant by MST analysis
50021281	1	ChEMBL_2441374	Antagonist activity at GST-tagged Strongyloides stercoralis DAF-12 LBD incubated for 0.5 hrs in presence of biotinylated SRC1 and SRC2 by Alphascreen assay
50021281	2	ChEMBL_2441375	Agonist activity at GST-tagged Strongyloides stercoralis DAF-12 LBD incubated for 0.5 hrs in presence of biotinylated SRC1 and SRC2 by Alphascreen assay
50021281	3	ChEMBL_2441377	Partial agonist activity at GST-tagged Strongyloides stercoralis DAF-12 LBD incubated for 0.5 hrs in presence of biotinylated SRC1 and SRC2 by Alphascreen assay
50021281	4	ChEMBL_2441378	Agonist activity at Strongyloides stercoralis DAF-12 LBD transfected in CHO cells
50021282	1	ChEMBL_2441470	Inhibition of N-terminal FLAG tagged human PARP7 (400 to 657 residues) preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	2	ChEMBL_2441471	Inhibition of full length C-terminal 6his-tagged human recombinant HDAC1 (1 to 482 residues) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021282	3	ChEMBL_2441472	Inhibition of full length N-terminal GST-tagged human recombinant HDAC6 (1 to 1215 residues) preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	4	ChEMBL_2441504	Inhibition of full length C-terminal 6his-tagged human recombinant HDAC2 (1 to 488 residues) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021282	5	ChEMBL_2441505	Inhibition of full length C-terminal his-tagged human HDAC3 (1 to 428 residues)/N-terminal GST tagged human NCOR2 (395 to 489 residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021282	6	ChEMBL_2441506	Inhibition of full length C-terminal his-tagged human recombinant HDAC8 (1 to 377 residues) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021282	7	ChEMBL_2441507	Inhibition of full length human recombinant HDAC11 (1 to 347 residues) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021282	8	ChEMBL_2441508	Inhibition of N-terminal GST tagged human recombinant PARP1 (2 to 1014 residues) preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	9	ChEMBL_2441509	Inhibition of N-terminal GST tagged human PARP2 (2 to 583 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	10	ChEMBL_2441510	Inhibition of N-terminal GST tagged human PARP5A (1001 to 1327 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	11	ChEMBL_2441511	Inhibition of N-terminal GST tagged human PARP5B (667 to 1166 residues) infected in baculovirus infected Sf9 cells preincubated for 10 mins followed by PARP substrate addition and measured after 30 mins by fluorescence based analysis
50021282	12	ChEMBL_2441512	Inhibition of PARP1 (unknown origin)
50021282	13	ChEMBL_2441513	Inhibition of PARP2 (unknown origin)
50021282	14	ChEMBL_2441514	Inhibition of PARP5A (unknown origin)
50021282	15	ChEMBL_2441515	Inhibition of PARP5B (unknown origin)
50021282	16	ChEMBL_2441516	Inhibition of PARP7 (unknown origin)
50021283	1	ChEMBL_2441537	Binding affinity to C-terminal 6His tagged full length SHP2 (1 to 528 residues) (unknown origin) transfected in Escherichia coli BL21(DE3) RIPL cells assessed as dissociation constant by ITC analysis
50021283	2	ChEMBL_2441539	Inhibition of recombinant C-terminal truncated human SHP2 (1 to 530 residues) using 6,8-difluoro-4-methylumbelliferyl phosphate as substrate and H2N-LN(pY)IDLDLV-(PEG)8-LST(pY)ASINFQK-amide as activating peptide preincubated for 30 mins followed by substrate addition and measured over 30 mins by fluorescence based analysis
50021283	3	ChEMBL_2441541	Inhibition of SHP2 phosphatase-only domain (unknown origin) catalytic activity
50021283	4	ChEMBL_2441544	Inhibition of SHP2 in human HCC827 cells harboring EGFR del 746 to 750 mutant assessed as inhibition of ERK phosphorylation incubated for 30 mins by ELISA
50021284	1	ChEMBL_2441564	Inhibition of PD-1/PD-L1 interaction (unknown origin) incubated for 15 min by HTRF assay
50021284	2	ChEMBL_2441565	Inhibition of interaction of human PD-1 expressed in Jurkat T cells co-transfected with NFAT/human PD-L1 expressed in CHO-K1 cells co-expressing aAPC preincubated with CHO-K1 cells followed by Jurkat cell addition and measured after 6 hrs by automated microplate spectrophotometer analysis
50021284	3	ChEMBL_2441577	Binding affinity to his-tagged human PD-L1 assessed as dissociation constant by SPR analysis
50021284	4	ChEMBL_2441579	Binding affinity to his-tagged mouse PD-L1 assessed as dissociation constant by SPR analysis
50021285	1	ChEMBL_2441670	Binding affinity to MAT2a (unknown origin) assessed as dissociation constant by ITC analysis
50021285	2	ChEMBL_2441671	Inhibition of MAT2a in human NCI-H520 cells assessed as reduction in SAM production incubated for 6 hrs by RapidFire-Mass Spectrometry analysis
50021287	1	ChEMBL_2441673	Inhibition of IRAK4 (unknown origin) using biotinylated peptide (IRAK1 activation loop sequence 360-389) as substrate incubated for 2 hrs in presence of 1 mM ATP by mesoscale detection method
50021287	2	ChEMBL_2441734	Inhibition of PDE4 (unknown origin)
50021288	1	ChEMBL_2441740	Binding affinity to human EBP expressed in HEK293 cell membrane assessed as inhibition constant incubated for 3 hrs in presence of [3H]-labeled radioligand by microplate scintillation counter
50021288	2	ChEMBL_2441767	Inhibition of EBP in mouse Oligodendrocyte precursor cell assessed as zymostenol accumulation by GCMS analysis
50021288	3	ChEMBL_2441768	Inhibition of EBP in human Mesenchymal stem cells assessed as zymostenol accumulation by GCMS analysis
50021289	1	ChEMBL_2441810	Inhibition of LTA4H (unknown origin)
50021289	2	ChEMBL_2441813	Inhibition of LTA4H (unknown origin) using Arg-AMC as substrate preincubated with compound for 15 mins followed by substrate addition and measured after every 10 mins for 30 mins by fluorescence based analysis
50021289	3	ChEMBL_2441817	Inhibition of LTA4H in human whole blood assessed as calcium ionophore A23187-stimulated LTB4 release preincubated with compound for 4 hrs followed by calcium ionophore A23187 induction and measured after 15 mins by competitive immuno assay
50021290	1	ChEMBL_2441949	Inhibition of PARP1 (unknown origin) using histone as substrate incubated for 45 mins by absorbance based analysis
50021290	2	ChEMBL_2441950	Inhibition of c-Met (unknown origin) by HTRF method
50021290	3	ChEMBL_2442048	Inhibition of PARP1 (unknown origin)
50021290	4	ChEMBL_2442049	Inhibition of c-Met (unknown origin)
50021292	1	ChEMBL_2442051	Inhibition of factor Xa (unknown origin) using Bz-lle-Glu-Gly-Arg-pNA as chromogenic substrate preincubated for 30 mins followed by substrate addition by absorbance based analysis
50021292	2	ChEMBL_2442052	Inhibition of N-terminal 6His-tagged human recombinant TMPRSS2 (106 to 492 residues) using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence based analysis
50021292	3	ChEMBL_2442053	Inhibition of C-terminal 10-His tagged human recombinant HGFA (Gln36 to Ser655 residues) using Boc-QLR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence based analysis
50021292	4	ChEMBL_2442054	Inhibition of N-terminal Met/6His tagged human recombinant matriptase catalytic domain (Gly596 to Val855 residues) using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence based analysis
50021292	5	ChEMBL_2442055	Inhibition of C-terminal 10-His tagged human recombinant hepsin (Arg45 to Leu417 residues) using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition and measured by fluorescence based analysis
50021292	6	ChEMBL_2442056	Inhibition of recombinant thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as chromogenic substrate preincubated for 30 mins followed by substrate addition by absorbance based analysis
50021293	1	ChEMBL_2442222	Binding affinity to Keap1 (unknown origin) assessed as dissociation constant incubated for 60 mins by fluorescence polarization assay
50021294	1	ChEMBL_2442261	Inhibition of CDK9/Cyclin T1 (unknown origin) using PDKtide substrate incubated for 60 mins by ADP-Glo kinase assay
50021294	2	ChEMBL_2442264	Inhibition of CDK1 (unknown origin)
50021294	3	ChEMBL_2442265	Inhibition of CDK2 (unknown origin)
50021294	4	ChEMBL_2442266	Inhibition of CDK4 (unknown origin)
50021294	5	ChEMBL_2442267	Inhibition of CDK5 (unknown origin)
50021294	6	ChEMBL_2442268	Inhibition of CDK6 (unknown origin)
50021294	7	ChEMBL_2442269	Inhibition of CDK7 (unknown origin)
50021294	8	ChEMBL_2442270	Inhibition of CDK8 (unknown origin)
50021294	9	ChEMBL_2442271	Inhibition of CDK9 (unknown origin)
50021294	10	ChEMBL_2442272	Inhibition of CDK12 (unknown origin)
50021294	11	ChEMBL_2442308	Binding affinity to CDK9/Cyclin T1 (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50021295	1	ChEMBL_2442368	Inhibition of human PDE4D catalytic domain (T86 to S413 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	2	ChEMBL_2442372	Inhibition of full length human PDE1A expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	3	ChEMBL_2442373	Inhibition of full length human PDE2A expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	4	ChEMBL_2442374	Inhibition of full length human PDE3A expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	5	ChEMBL_2442375	Inhibition of human PDE5A catalytic domain (E535 to Q860 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	6	ChEMBL_2442376	Inhibition of full length human PDE6C expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	7	ChEMBL_2442377	Inhibition of human PDE7A catalytic domain (S130 to S482 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	8	ChEMBL_2442378	Inhibition of full length human PDE8A expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	9	ChEMBL_2442379	Inhibition of human PDE9A catalytic domain (P181 to K506 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	10	ChEMBL_2442380	Inhibition of human PDE10A catalytic domain (S439 to A766 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	11	ChEMBL_2442381	Inhibition of full length human PDE11A expressed in Escherichia coli BL21 (DE3) using [3H]-cAMP/cGMP as substrate incubated for 10 mins by MicroBeta scintillation proximity assay
50021295	12	ChEMBL_2442421	Inhibition of PDE4 (unknown origin)
50021296	1	ChEMBL_2442502	Agonist activity at human TLR2/TLR1 transfected in HEK293T cells incubated for 24 hrs by dual luciferase reporter gene assay
50021297	1	ChEMBL_2442604	Inhibition of CLK2 (unknown origin) incubated for 10 mins in presence of ATP
50021297	2	ChEMBL_2442605	Inhibition of CLK3 (unknown origin) incubated for 10 mins in presence of ATP
50021297	3	ChEMBL_2442607	Inhibition of DYRK1A (unknown origin) incubated for 10 mins in presence of ATP
50021297	4	ChEMBL_2442608	Inhibition of CLK1 (unknown origin) incubated for 10 mins in presence of ATP
50021297	5	ChEMBL_2442609	Inhibition of CLK4 (unknown origin) incubated for 10 mins in presence of ATP
50021298	1	ChEMBL_2442679	Agonist activity at LGR4 (unknown origin) by arrestin technology based assay
50021299	1	ChEMBL_2442942	Binding affinity to N-terminal His-tagged human recombinant RBP4 (19 to 201 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by ELISA method
50021299	2	ChEMBL_2442944	Binding affinity to human recombinant His-MBP-tagged RBP4 (19 to 201 residues) expressed in Escherichia coli BL21(DE3)pLysS using biotin-aminohexanoic acid-CPSSHSSLTERHKILHRLLQEGSPS-CONH2 peptide as substrate assessed as dissociation constant preincubated for 30 mins followed by substrate addition measured for 1 hr by TR-FRET analysis
50021299	3	ChEMBL_2442945	Binding affinity to human recombinant CRBP1 assessed as inhibition constant
50021299	4	ChEMBL_2442946	Binding affinity to CRBP1 (unknown origin) assessed as inhibition constant
50021299	5	ChEMBL_2442948	Displacement of 8-anilino-1-naphthalene-sulfonic acid from FABP4 (unknown origin) incubated for 3 mins by fluorescence based assay
50021299	6	ChEMBL_2442949	Inhibition of FABP5 (unknown origin)
50021299	7	ChEMBL_2442950	Inhibition of A-FABP (unknown origin)
50021299	8	ChEMBL_2442951	Inhibition of 1,8-ANS binding to FABP4 (unknown origin)
50021299	9	ChEMBL_2442952	Binding affinity to alpha-synuclein (unknown origin) assessed as dissociation constant
50021299	10	ChEMBL_2442953	Binding affinity to FABP3 (unknown origin) assessed as inhibition constant
50021299	11	ChEMBL_2442954	Binding affinity FABP5 (unknown origin) assessed as inhibition constant
50021299	12	ChEMBL_2442955	Binding affinity to human recombinant FABP5 assessed as inhibition constant
50021299	13	ChEMBL_2442956	Binding affinity to human recombinant FABP3 assessed as inhibition constant
50021299	14	ChEMBL_2442957	Binding affinity to N-terminal His-tagged human recombinant FABP5 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant measured for 1 hr by FRET analysis
50021299	15	ChEMBL_2442958	Displacement of fluorescent probe ANS from FABP7 (unknown origin) assessed as inhibition constant by fluorescence based analysis
50021299	16	ChEMBL_2442959	Binding affinity to human recombinant FABP5 assessed as inhibition constant measured for 1 hr by fluorescence based analysis
50021299	17	ChEMBL_2442960	Binding affinity to human FABP5 assessed as dissociation constant
50021299	18	ChEMBL_2442961	Binding affinity to human FABP7 assessed as dissociation constant
50021299	19	ChEMBL_2442963	Binding affinity to human FABP7 assessed as inhibition constant
50021300	1	ChEMBL_2442966	Binding affinity to CBP (unknown origin) by SPR assay
50021300	2	ChEMBL_2442967	Binding affinity to p300 (unknown origin) by SPR assay
50021300	3	ChEMBL_2442968	Binding affinity to BRD4 (unknown origin) by SPR assay
50021300	4	ChEMBL_2442969	Inhibition of CBP-BHC domain (unknown origin) assessed as measuring acetylation of biotinylated histone H4 peptide by TR-FRET assay
50021300	5	ChEMBL_2442970	Inhibition of p300-BHC domain (unknown origin) assessed as measuring acetylation of biotinylated histone H4 peptide by TR-FRET assay
50021303	1	ChEMBL_2443087	Inhibition of recombinant human PREP proteolytic activity transfected in PREP knockout HEK293 cells using Suc-Gly-Pro-AMC as substrate preincubated for 30 mins followed by substrate addition measured after 60 mins by fluorescence based microplate reader analysis
50021303	2	ChEMBL_2443099	Binding affinity to human wildype PREP assessed as binding constant by ITC analysis
50021303	3	ChEMBL_2443118	Inhibition of PREP (unknown origin) assessed as inhibition constant
50021305	1	ChEMBL_2443139	Agonist activity at GST-tagged human FXR LBD using SRCI coactivator peptide by Alphascreen assay
50021305	2	ChEMBL_2443140	Agonist activity at GST-tagged human FXR LBD expressed in HEK293T cotransfected with FXRE-luciferase reporter plasmid by luciferase reporter gene assay
50021308	1	ChEMBL_2443219	Inhibition of FLT3 (unknown origin) by MCE assay
50021308	2	ChEMBL_2443220	Inhibition of TYRO3 (unknown origin) by MCE assay
50021308	3	ChEMBL_2443221	Inhibition of AXL (unknown origin) by MCE assay
50021308	4	ChEMBL_2443222	Inhibition of MERTK (unknown origin) expressed in HEK293 cells by MCE assay
50021308	5	ChEMBL_2443246	Inhibition of MERTK in human HCC4011 cells incubated for 2 hrs by NanoBRET assay
50021308	6	ChEMBL_2443247	Inhibition of AXL in human HCC4011 cells incubated for 2 hrs by NanoBRET assay
50021308	7	ChEMBL_2443248	Inhibition of TYRO3 in human HCC4011 cells incubated for 2 hrs by NanoBRET assay
50021308	8	ChEMBL_2443249	Inhibition of MERTK autophosphorylation in human HCC4011 cells by immunoblotting analysis
50021308	9	ChEMBL_2443250	Inhibition of AXL autophosphorylation in human HCC4011 cells by immunoblotting analysis
50021309	1	ChEMBL_2443252	Inhibition of NIK (unknown origin) incubated 30 to 60 mins by ADP-Glo Kinase
50021309	2	ChEMBL_2443255	Inhibition of NIK (unknown origin) expressed in COS-7 cells co-expressing NF-KappaB luciferase reporter assessed as suppression of luciferase reporter measured after 24 by beta-Gal activity assay
50021309	3	ChEMBL_2443261	Inhibition of PKD2 (unknown origin) by ADP-Glo Kinase assay
50021309	4	ChEMBL_2443262	Inhibition of AMPKalpha1/beta1/gamma1 (unknown origin) by ADP-Glo Kinase assay
50021309	5	ChEMBL_2443263	Inhibition of JNK1 (unknown origin) by ADP-Glo Kinase assay
50021309	6	ChEMBL_2443298	Inhibition of NIK (unknown origin) incubated 30 to 60 mins by ADP-Glo Kinase assay
50021310	1	ChEMBL_2443301	Inhibition of MNK1 (unknown origin)
50021310	2	ChEMBL_2443302	Inhibition of MNK2 (unknown origin)
50021310	3	ChEMBL_2443303	Inhibition of recombinant MNK1 (unknown origin) using TATKSGSTTKNR as substrate preincubated for 15 mins followed by ATP addition and measured after 1 hr by ADP-glo kinase assay
50021310	4	ChEMBL_2443304	Inhibition of recombinant MNK2 (unknown origin) using TATKSGSTTKNR as substrate preincubated for 15 mins followed by ATP addition and measured after 1 hr by ADP-glo kinase assay
50021310	5	ChEMBL_2443309	Inhibition of eIF4E phosphorylation at ser209 residue in human HeLa cells incubated for 2 hrs by HTRF assay
50021311	1	ChEMBL_2443373	Inhibition of AKT phosphorylation in human MDA-MB-231 incubated for 18 hrs by Western blot analysis
50021311	2	ChEMBL_2443374	Inhibition of AKT1 (unknown origin)
50021311	3	ChEMBL_2443375	Inhibition of AKT2 (unknown origin)
50021312	1	ChEMBL_2443418	Inhibition of ERK1 (unknown origin) assessed as luminescence in presence of ATP incubated for 90 mins by ADP-Glo kinase assay
50021312	2	ChEMBL_2443419	Inhibition of ERK2 (unknown origin) assessed as luminescence in presence of ATP incubated for 90 mins by ADP-Glo kinase assay
50021313	1	ChEMBL_2443580	Binding affinity to N-terminal 6His-tagged recombinant Plasmodium falciparum FP2 expressed in Escherichia coli M15 assessed as dissociation constant incubated for 15 mins in presence of lysine reactive dye by microscale thermophoretic analysis
50021313	2	ChEMBL_2443581	Binding affinity to N-terminal 6His-tagged recombinant Plasmodium falciparum FP3 expressed in Escherichia coli M15 assessed as dissociation constant incubated for 15 mins in presence of lysine reactive dye by microscale thermophoretic analysis
50021313	3	ChEMBL_2443582	Binding affinity to N-terminal 6His-tagged recombinant Plasmodium falciparum FP2 expressed in Escherichia coli M15 assessed as dissociation constant by surface plasmon resonance analysis
50021313	4	ChEMBL_2443583	Binding affinity to N-terminal 6His-tagged recombinant Plasmodium falciparum FP3 expressed in Escherichia coli M15 assessed as dissociation constant by surface plasmon resonance analysis
50021313	5	ChEMBL_2443594	Inhibition of N-terminal 6His-tagged recombinant Plasmodium falciparum FP2 expressed in Escherichia coli M15 using Z-Phe-Arg-AMC as substrate measured after 30 mins by microplate reader analysis
50021313	6	ChEMBL_2443595	Inhibition of N-terminal 6His-tagged recombinant Plasmodium falciparum FP3 expressed in Escherichia coli M15 using Z-Phe-Arg-AMC as substrate measured after 30 mins by microplate reader analysis
50021313	7	ChEMBL_2443596	Competitive inhibition of N-terminal 6His-tagged recombinant Plasmodium falciparum FP2 expressed in Escherichia coli M15 assessed as inhibition constant using Z-Phe-Arg-AMC as substrate measured after 30 mins by microplate reader analysis
50021314	1	ChEMBL_2443682	Antagonist activity at recombinant human P-selectin assessed as inhibition of P-selection binding to homodimer human PSGL-1-Fc interaction measured after 30 mins by surface plasmon resonance (SPR) spectroscopy
50021315	1	ChEMBL_2443690	Inhibition of bovine plasma VAP-1 using 6-(5-Pheny1-2H-tetrazol-2-yl)hexan-1-amine as substrate preincubated with enzyme for 15 mins followed by substrate addition measured after 30 mins by UV-HPLC analysis
50021315	2	ChEMBL_2443691	Inhibition of bovine plasma VAP-1 using 6-(5-Pheny1-2H-tetrazol-2-yl)hexan-1-amine as substrate measured after 30 mins by UV-HPLC analysis
50021315	3	ChEMBL_2443702	Inhibition of porcine kidney DAO using 6-(5-phenyltetrazol-2-yl)hexan-1-amine as substrate preincubated with enzyme for 15 mins followed by substrate addition measured after 30 mins by UV-HPLC analysis
50021315	4	ChEMBL_2443705	Inhibition of recombinant human MAO-B using 4-(5-phenyl-2H-tetrazol-2-yl)butan-1-amine as substrate preincubated with enzyme for 15 mins followed by substrate addition measured after 30 mins by UV-HPLC analysis
50021315	5	ChEMBL_2443707	Inhibition of human plasma VAP-1 using 6-(5-Pheny1-2H-tetrazol-2-yl)hexan-1-amine as substrate preincubated with enzyme for 15 mins followed by substrate addition measured after 120 mins by UV-HPLC analysis
50021316	1	ChEMBL_2443714	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 mins by microplate reader assay
50021316	2	ChEMBL_2443715	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30 mins by microplate reader assay
50021316	3	ChEMBL_2443720	Inhibition of mushroom tyrosinase using varying levels of L-DOPA as substrate by Dixon plot analysis
50021317	1	ChEMBL_2443736	Inhibition of EGFR (unknown origin)
50021319	1	ChEMBL_2443778	Inhibition of human Aromatase by fluorimetric assay
50021320	1	ChEMBL_2443828	Inhibition of JAK1 (unknown origin)
50021320	2	ChEMBL_2443829	Inhibition of JAK2 (unknown origin)
50021320	3	ChEMBL_2443830	Inhibition of ERalpha (unknown origin)
50021320	4	ChEMBL_2443831	Inhibition of ERbeta (unknown origin)
50021320	5	ChEMBL_2443832	Inhibition of VEGFR1 (unknown origin)
50021320	6	ChEMBL_2443833	Inhibition of VEGFR2 (unknown origin)
50021320	7	ChEMBL_2443834	Inhibition of VEGFR3 (unknown origin)
50021320	8	ChEMBL_2443835	Inhibition of ROS1 (unknown origin)
50021320	9	ChEMBL_2443836	Inhibition of TRKA (unknown origin)
50021320	10	ChEMBL_2443837	Inhibition of TRKB (unknown origin)
50021320	11	ChEMBL_2443838	Inhibition of TRKC (unknown origin)
50021320	12	ChEMBL_2443840	Inhibition of AKT1 (unknown origin)
50021320	13	ChEMBL_2443841	Inhibition of AKT2 (unknown origin)
50021320	14	ChEMBL_2443842	Inhibition of AKT3 (unknown origin)
50021321	1	ChEMBL_2443857	Potentiation of CFTR G551D mutant (unknown origin) expressed in FRT cells
50021321	2	ChEMBL_2443858	Potentiation of CFTR F508del mutant (unknown origin)
50021321	3	ChEMBL_2443859	Potentiation of CFTR N1303K mutant (unknown origin) transfected in mouse FRT cells in presence of forskolin/VX-770
50021321	4	ChEMBL_2443860	Potentiation of CFTR W1282X mutant (unknown origin) transfected in mouse FRT cells in presence of forskolin/VX-770
50021321	5	ChEMBL_2443862	Potentiation of CFTR N1303K mutant (unknown origin) expressed in FRT cells assessed as increase in CFTR mutant activity
50021321	6	ChEMBL_2443863	Potentiation of CFTR F508del mutant (unknown origin) in FRT cells assessed as rescue of CFTR mutant incubated for 24 hrs in presence of VX-770
50021321	7	ChEMBL_2443864	Potentiation of CFTR F508del mutant (unknown origin) expressed in NIH3T3 cells
50021321	8	ChEMBL_2443865	Corrector activity at wild type CFTR F508del mutant (unknown origin) expressed in BHK cells assessed as increase in chloride secretion by Western blot analysis
50021321	9	ChEMBL_2443866	Activation of CFTR F508del mutant (unknown origin)
50021325	1	ChEMBL_2443909	Agonist activity at mouse FPR2
50021325	2	ChEMBL_2443913	Binding affinity to human FPR2 expressed in CHO cells assessed as dissociation constant
50021325	3	ChEMBL_2443914	Binding affinity to mouse FPR1 expressed in CHO cells assessed as dissociation constant
50021326	1	ChEMBL_2443952	Inhibition of HDAC1 (unknown origin)
50021326	2	ChEMBL_2443953	Inhibition of HDAC6 (unknown origin)
50021326	3	ChEMBL_2443954	Inhibition of N-terminal GST-tagged human recombinant HDAC6 expressed in Spodoptera frugiperda incubated for 60 mins by fluorescence based analysis
50021326	4	ChEMBL_2443955	Inhibition of his-tagged human recombinant HDAC1 using fluor de lys-SIRT1 as substrate incubated for 60 mins by fluorescence based analysis
50021326	5	ChEMBL_2443957	Inhibition of human recombinant HDAC1 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021326	6	ChEMBL_2443958	Inhibition of human recombinant HDAC2 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021326	7	ChEMBL_2443959	Inhibition of human recombinant HDAC3 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021326	8	ChEMBL_2443960	Inhibition of human recombinant HDAC4 using Boc-Lys(tri-fluoroacetyl)-AMC as substrate by fluorescence based analysis
50021326	9	ChEMBL_2443961	Inhibition of human recombinant HDAC5 using Boc-Lys(tri-fluoroacetyl)-AMC as substrate by fluorescence based analysis
50021326	10	ChEMBL_2443962	Inhibition of human recombinant HDAC6 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021326	11	ChEMBL_2443963	Inhibition of human recombinant HDAC7 using Boc-Lys(tri-fluoroacetyl)-AMC as substrate by fluorescence based analysis
50021326	12	ChEMBL_2443964	Inhibition of human recombinant HDAC8 using fluorescent peptide p53 (379 to 382 residues) (RHK(Ac)K(Ac)) as substrate by fluorescence based analysis
50021326	13	ChEMBL_2443965	Inhibition of human recombinant HDAC9 using Boc-Lys(tri-fluoroacetyl)-AMC as substrate by fluorescence based analysis
50021326	14	ChEMBL_2443966	Inhibition of human recombinant HDAC10 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021326	15	ChEMBL_2443967	Inhibition of human recombinant HDAC11 using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac) as substrate by fluorescence based analysis
50021327	1	ChEMBL_2444012	Inhibition of human NHE5 transfected in chinese hamster PS120 cells measured after 9 mins by BCECF-AM staining based NH4Cl pre-pulse method
50021327	2	ChEMBL_2444013	Inhibition of rat NHE1 expressed in Chinese hamster ovary cells (AP-1) measured after 9 mins by BCECF-AM staining based NH4Cl pre-pulse method
50021328	1	ChEMBL_2444056	Inhibition of N-terminal 3xFlag-tagged recombinant human TET1 catalytic domain (E1418 to V2136 residues) expressed in baculovirus infected Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by substrate and DNA-cofactor addition measured after 30 mins by Alphascreen assay
50021328	2	ChEMBL_2444057	Inhibition of N-terminal His-tagged recombinant human TET2 catalytic domain LCIdel mutant (D1129 to G1936 residues with Y1481 to N1843 replaced by 3 x GGGGS linker) expressed in Escherichia coli BL21 (DE3) using 5-methylcytosine as substrate preincubated for 10 mins followed by substrate and DNA-cofactor addition measured after 10 mins by Alphascreen assay
50021328	3	ChEMBL_2444059	Inhibition of recombinant human TET3 catalytic domain (E824 to I1795 residues) expressed in baculovirus infected Sf9 cells using 5-methylcytosine as substrate preincubated for 10 mins followed by substrate and DNA-cofactor addition measured after 10 mins by Alphascreen assay
50021328	4	ChEMBL_2444069	Inhibition of FLAG-tagged human TET1 catalytic domain (E1418 to V2136 residues) expressed in doxycycline induced human U2OS cells incubated for 24 hrs by immunofluorescence assay
50021330	1	ChEMBL_2444161	Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells measured after 6 hrs
50021330	2	ChEMBL_2444162	Inhibition of KRAS G12C mutant in human NCI-H358 cells measured after 6 hrs
50021330	3	ChEMBL_2444165	Inhibition of GDP-bound KRAS G12C mutant in human MIA PaCa-2 cells incubated for 6 hrs
50021330	4	ChEMBL_2444176	Inhibition of KRAS G12C mutant in human NCI-H2030 cells
50021330	5	ChEMBL_2444177	Inhibition of KRAS G12C mutant in human NCI-H23 cells
50021330	6	ChEMBL_2444178	Inhibition of KRAS G12C mutant (unknown origin) by HTRF method
50021330	7	ChEMBL_2444179	Inhibition of KRAS G12C mutant in human HCC1171 cells
50021331	1	ChEMBL_2444194	Inhibition of arachidonic acid-induced full-length four-repeat tau 2N4R (unknown origin) aggregation measured upto 19 hrs by TEM analysis
50021332	1	ChEMBL_2444244	Binding affinity to TRKB (unknown origin) receptor assessed as dissociation constant
50021332	2	ChEMBL_2444245	Inhibition of CSF1R (unknown origin)
50021332	3	ChEMBL_2444246	Binding affinity to CSF1R (unknown origin) assessed as inhibition constant
50021332	4	ChEMBL_2444247	Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated in presence of ATP by FRET based Z-LYTE assay
50021332	5	ChEMBL_2444253	Binding affinity to human CSF1R assessed as dissociation constant
50021333	1	ChEMBL_2444258	Inhibition of human recombinant LSD1 using H3K4me2 peptide substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50021334	1	ChEMBL_2444287	Binding affinity to human CRBN TBD assessed as inhibition constant using BODIPY-uracil as substrate by Microscale thermophoresis assay
50021335	1	ChEMBL_2444294	Inhibition of GST-tagged human FKBP51 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	2	ChEMBL_2444295	Inhibition of GST-tagged human FKBP52 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	3	ChEMBL_2444296	Inhibition of GST-tagged human FKBP38 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	4	ChEMBL_2444297	Inhibition of GST-tagged human PP5 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	5	ChEMBL_2444298	Inhibition of GST-tagged human CHIP expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	6	ChEMBL_2444299	Inhibition of GST-tagged human HOP expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	7	ChEMBL_2444300	Inhibition of GST-tagged human AIP expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	8	ChEMBL_2444301	Inhibition of GST-tagged human AIPL1 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	9	ChEMBL_2444302	Inhibition of GST-tagged human SGTA expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	10	ChEMBL_2444304	Inhibition of GST-tagged human CYP40 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	11	ChEMBL_2444305	Inhibition of GST-tagged human DNAJC7 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	12	ChEMBL_2444307	Inhibition of GST-tagged human TOM34 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	13	ChEMBL_2444308	Inhibition of GST-tagged human TOM70 expressed in Escherichia coli BL21 (DE3) using NH2-EDASRMEEVD-COOH peptide as substrate preincubated for 15 mins followed by substrate addition measured after 15 mins by Alpha Screen assay
50021335	14	ChEMBL_2444314	Binding affinity to GST-tagged human FKBP51 expressed in Escherichia coli BL21 (DE3) immobilized in CM7 sensor chip assessed as equilibrium dissociation constant by SPR analysis
50021335	15	ChEMBL_2444315	Binding affinity to GST-tagged human FKBP52 expressed in Escherichia coli BL21 (DE3) immobilized in CM7 sensor chip assessed as equilibrium dissociation constant by SPR analysis
50021337	1	ChEMBL_2444332	Inhibition of human PTP1B
50021337	2	ChEMBL_2444335	Inhibition of human PTPN2 using DiFMUP as substrate by fluorescence based phosphatase assay
50021337	3	ChEMBL_2444355	Binding affinity to human PTPN2 assessed as dissociation constant measured upto 300 secs by SPR analysis
50021338	1	ChEMBL_2444377	Inhibition of His-tagged HHAT (unknown origin) transfected in HEK293FT cells
50021338	2	ChEMBL_2444378	Binding affinity to His-tagged HHAT (unknown origin) transfected in HEK293FT cells assessed as inhibition constant
50021338	3	ChEMBL_2444379	Inhibition of HHAT (unknown origin)
50021338	4	ChEMBL_2444385	Inhibition of N-terminal human recombinant Lck expressed in baculovirus infected in Sf9 cells
50021338	5	ChEMBL_2444386	Inhibition of ZDHHC20 (unknown origin)
50021338	6	ChEMBL_2444388	Inhibition of ZDHHC7 (unknown origin)
50021338	7	ChEMBL_2444391	Inhibition of APT1 (unknown origin)
50021338	8	ChEMBL_2444392	Inhibition of APT2 (unknown origin)
50021338	9	ChEMBL_2444393	Inhibition of SPTLC2 (unknown origin)
50021338	10	ChEMBL_2444394	Inhibition of SPTLC3 (unknown origin)
50021338	11	ChEMBL_2444397	Binding affinity to ZDHHC9 (unknown origin) assessed as inhibition constant
50021338	12	ChEMBL_2444398	Binding affinity to His-tagged TEAD4 YAP-binding domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by Surface plasmon resonance assay
50021338	13	ChEMBL_2444399	Inhibition of GST-tagged recombinant TEAD4 (unknown origin) (217 to 434 residues) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay
50021338	14	ChEMBL_2444400	Inhibition of N-terminal His-tagged TEAD1 (unknown origin) (209 to 426 residues) expressed in Escherichia coli BL21 by chromatography analysis
50021338	15	ChEMBL_2444402	Inhibition of N-terminal 6His-tagged human TEAD1 YAP-binding domain (209 to 426 residues) expressed in Escherichia coli BL21 (DE3)
50021338	16	ChEMBL_2444404	Inhibition of N-terminal His-tagged human TEAD1 expressed in Escherichia coli BL21 (DE3) (209 to 424 residues) by affinity chromatography analysis
50021338	17	ChEMBL_2444408	Binding affinity to APT1 (unknown origin) assessed as inhibition constant incubated for 1 hr by Surface plasmon resonance assay
50021338	18	ChEMBL_2444409	Binding affinity to APT2 (unknown origin) assessed as inhibition constant incubated for 1 hr by Surface plasmon resonance assay
50021338	19	ChEMBL_2444410	Inhibition of APT1 (unknown origin) by fluorescence polarization assay
50021338	20	ChEMBL_2444411	Inhibition of APT2 (unknown origin) by fluorescence polarization assay
50021338	21	ChEMBL_2444412	Binding affinity to human APT1 assessed as inhibition constant
50021338	22	ChEMBL_2444413	Binding affinity to human APT2 assessed as inhibition constant
50021338	23	ChEMBL_2444414	Inhibition of ABHD10 (unknown origin)
50021338	24	ChEMBL_2444415	Inhibition of recombinant human ABHD16A expressed in HEK293T cells incubated for 1 hr by fluorescence based analysis
50021338	25	ChEMBL_2444416	Inhibition of CPT1 (unknown origin)
50021338	26	ChEMBL_2444417	Binding affinity to CPT1 (unknown origin) assessed as inhibition constant
50021338	27	ChEMBL_2444418	Binding affinity to rat heart mitochondria CPT1 assessed as inhibition constant incubated for 3 to 6 mins by Liquid scintillation counting method
50021338	28	ChEMBL_2444419	Binding affinity to rat liver mitochondria CPT1 assessed as inhibition constant incubated for 3 to 6 mins by Liquid scintillation counting method
50021338	29	ChEMBL_2444420	Inhibition of CPT1A (unknown origin)
50021338	30	ChEMBL_2444421	Inhibition of CPT1B (unknown origin)
50021338	31	ChEMBL_2444423	Inhibition of rat CPT1
50021338	32	ChEMBL_2444424	Inhibition of rat CPT2
50021338	33	ChEMBL_2444425	Inhibition of rat CPT1B
50021338	34	ChEMBL_2444426	Inhibition of human CPT1
50021338	35	ChEMBL_2444427	Inhibition of human CPT2
50021338	36	ChEMBL_2444428	Inhibition of CPT1B (unknown origin) in KB cells
50021338	37	ChEMBL_2444429	Inhibition of rat hepatocytes CPT1A
50021338	38	ChEMBL_2444433	Inhibition of SPTSSB (unknown origin) expressed in HEK293T cells
50021338	39	ChEMBL_2444434	Inhibition of Hepatitis C virus genotype 1a NS4B
50021338	40	ChEMBL_2444440	Inhibition of N-terminal His-tagged mouse GOAT expressed in baculovirus infected insect cells
50021338	41	ChEMBL_2444441	Inhibition of N-terminal His-tagged human GOAT expressed in Sf9 cells incubated for 1 hr by Bradford assay
50021338	42	ChEMBL_2444442	Inhibition of GOAT (unknown origin)
50021340	1	ChEMBL_2444443	Inhibition of ovine COX-1 by EIA method
50021340	2	ChEMBL_2444444	Inhibition of human recombinant COX-2 by EIA method
50021340	3	ChEMBL_2444480	Inhibition of bovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by ELISA method
50021343	1	ChEMBL_2444488	Inhibition of PARP1 (unknown origin) in presence of DNA and substrate by chemiluminescent assay
50021344	1	ChEMBL_2444523	Inhibition of [3H] -LY341495 binding to rat mGlu7 expressed in CHO cell membrane incubated for 30 mins in presence of LY341495 by liquid scintillation analysis
50021344	2	ChEMBL_2444524	Inhibition of [3H] -LY341495 binding to rat mGlu7 expressed in CHO cell membrane incubated for 30 mins by liquid scintillation analysis
50021344	3	ChEMBL_2444527	Agonist activity against rat mGlu4 R60A mutant
50021344	4	ChEMBL_2444528	Agonist activity against rat mGlu4 K74A mutant
50021344	5	ChEMBL_2444529	Agonist activity against rat mGlu4 S160A mutant
50021344	6	ChEMBL_2444530	Agonist activity against rat mGlu4 S160D mutant
50021344	7	ChEMBL_2444531	Agonist activity at rat mGlu4 R258A mutant
50021344	8	ChEMBL_2444535	Agonist activity at rat mGlu7 K60A mutant
50021344	9	ChEMBL_2444536	Agonist activity at rat mGlu7 K60A/S160A mutant
50021344	10	ChEMBL_2444537	Agonist activity at rat mGlu7 N74A mutant
50021344	11	ChEMBL_2444538	Agonist activity at rat mGlu7 N74K mutant
50021344	12	ChEMBL_2444539	Agonist activity at rat mGlu7 S160A mutant
50021344	13	ChEMBL_2444540	Agonist activity at rat mGlu7 Q258A mutant
50021346	1	ChEMBL_2444615	Activation of human recombinant LTA4H aminopeptidase activity assessed as alanine-p-nitroanilide (Ala-pNA) hydrolysis by LCMS analysis
50021346	2	ChEMBL_2444616	Inhibition of human recombinant LTA4H aminopeptidase activity assessed as alanine-p-nitroanilide (Ala-pNA) hydrolysis by LCMS analysis
50021347	1	ChEMBL_2444621	Inhibition of HDAC1 (unknown origin)
50021347	2	ChEMBL_2444622	Inhibition of HDAC6 (unknown origin)
50021347	3	ChEMBL_2444624	Inhibition of C-terminal his/FLAG-tagged full length human recombinant HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using ZMAL-(Z-Lys(Ac)-AMC as substrate measured for 90 mins by microplate reader analysis
50021347	4	ChEMBL_2444625	Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using ZMAL-(Z-Lys(Ac)-AMC as substrate measured for 90 mins by microplate reader analysis
50021347	5	ChEMBL_2444630	Inhibition of C-terminal FLAG-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 insect cells using ZMAL-(Z-Lys(Ac)-AMC as substrate measured for 90 mins by microplate reader analysis
50021347	6	ChEMBL_2444631	Inhibition of C-terminal his-tagged human recombinant HDAC3 (1 to 428 residues)/N-terminal GST-tagged human recombinant NCOR2 (395 to 489 residues) expressed in Sf9 insect cells using ZMAL-(Z-Lys(Ac)-AMC as substrate measured for 90 mins by microplate reader analysis
50021348	1	ChEMBL_2444652	Inhibition of SOS1 (unknown origin) mediated KRAS activation by HTRF method
50021349	1	ChEMBL_2444669	Inhibition of wild-type FGFR2 (458 to 765 residues)(unknown origin) expressed in Escherichia coli using FLPeptide30 as substrate preincubated for 30 mins followed by ATP addition measured after 90 mins
50021349	2	ChEMBL_2444684	Inhibition of FGFR1 (unknown origin) using Peptide30 as substrate incubated for 30 mins in presence of ATP
50021349	3	ChEMBL_2444685	Inhibition of N-terminal His6-tagged FGFR2 (458 to 768 residues)(unknown origin) expressed in Escherichia coli BL21 (DE3) using Peptide30 as substrate incubated for 30 mins in presence of ATP
50021349	4	ChEMBL_2444686	Inhibition of FGFR3 (unknown origin) using Peptide30 as substrate incubated for 30 mins in presence of ATP
50021349	5	ChEMBL_2444687	Inhibition of FGFR4 (unknown origin) using Peptide30 as substrate incubated for 30 mins in presence of ATP
50021350	1	ChEMBL_2444742	Binding affinity to cPLA2-alpha using POPC as substrate assessed as dissociation constant by SPR analysis (Rvb = 1.3 +/- 0.3 10^-1/s)
50021350	2	ChEMBL_2444743	Binding affinity to cPLA2-alpha using POPC as substrate assessed as equlibrium dissociation constant by SPR analysis (Rvb = 47 +/- 30 10^-8M)
50021351	1	ChEMBL_2444750	Inhibition of N-terminal His-tagged TOSV cap-ENDO expressed in Escherichia coli BL21 Gold (DE3) using 6-FAM/BHQ-1-labeled 12mer poly(A) ssRNA as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by FRET assay
50021351	2	ChEMBL_2444751	Inhibition of N-terminal His-tagged ANDV cap-ENDO expressed in Escherichia coli BL21 Gold (DE3) using 6-FAM/BHQ-1-labeled 12mer poly(A) ssRNA as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by FRET assay
50021351	3	ChEMBL_2444752	Inhibition of N-terminal His-tagged LACV cap-ENDO expressed in Escherichia coli BL21 Gold (DE3) using 6-FAM/BHQ-1-labeled 12mer poly(A) ssRNA as substrate preincubated for 15 mins followed by substrate addition measured for 20 mins by FRET assay
50021351	4	ChEMBL_2444755	Binding affinity to N-terminal His-tagged TOSV cap-ENDO expressed in Escherichia coli BL21 Gold (DE3) assessed as dissociation constant in presence of MnCl2 by ITC analysis
50021352	1	ChEMBL_2444841	Inhibition of DNA topoisomerase I (unknown origin)
50021352	2	ChEMBL_2444842	Inhibition of KSP/Eg5 (unknown origin)
50021352	3	ChEMBL_2444843	Inhibition of MAO-B (unknown origin) by fluorometric assay
50021352	4	ChEMBL_2444844	Inhibition of LSD1 (unknown origin) using H3K4me2 as a substrate incubated for 60 mins by AlphaLISA assay
50021352	5	ChEMBL_2444845	Inhibition of LSD1 (unknown origin)
50021352	6	ChEMBL_2444848	Inhibition of PARP-1 (unknown origin)
50021352	7	ChEMBL_2444849	Inhibition of PARP-2 (unknown origin)
50021352	8	ChEMBL_2444850	Inhibition of PARP14 (unknown origin)
50021352	9	ChEMBL_2444851	Inhibition of mushroom Tyrosinase
50021352	10	ChEMBL_2444852	Inhibition of human tyrosinase
50021352	11	ChEMBL_2444853	Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by spectrophotometric method
50021352	12	ChEMBL_2444854	Inhibition of human EZH2
50021352	13	ChEMBL_2444855	Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27-me3 level incubated for 72 hrs by Western blot analysis
50021352	14	ChEMBL_2444861	Inhibition of VEGFR-2 (unknown origin) by ELISA analysis
50021352	15	ChEMBL_2444863	Inhibition of c-Met (unknown origin)
50021352	16	ChEMBL_2444864	Inhibition of human ALKL1196M mutant by discoverX kinome scan assay
50021352	17	ChEMBL_2444868	Inhibition of human c-Met
50021352	18	ChEMBL_2444872	Inhibition of c-Met (unknown origin) by mobility shift assay
50021352	19	ChEMBL_2444873	Inhibition of B-Raf (unknown origin)
50021352	20	ChEMBL_2444889	Binding affinity to Grp94 (unknown origin) assessed as inhibition constant incubated for 24 hrs by fluorescence polarization assay
50021353	1	ChEMBL_2444894	Inhibition of P-gp in human MES-SA/Dx5 cells
50021353	2	ChEMBL_2444934	Inhibition of P-gp in human Caco-2 cells in presence of paclitaxel
50021353	3	ChEMBL_2444946	Inhibition of P-gp (unknown origin) ATPase activity
50021353	4	ChEMBL_2444947	Inhibition of BCRP (unknown origin) ATPase activity
50021353	5	ChEMBL_2444949	Inhibition of MRP2 (unknown origin) ATPase activity
50021357	1	ChEMBL_2445128	Inhibition of MMP-2 (unknown origin) using chromogenic substrate incubated for 1 hr by microplate photometer analysis
50021357	2	ChEMBL_2445129	Inhibition of MMP-9 (unknown origin) using chromogenic substrate incubated for 1 hr by microplate photometer analysis
50021357	3	ChEMBL_2445130	Inhibition of MMP-8 (unknown origin)
50021357	4	ChEMBL_2445131	Inhibition of MMP-12 (unknown origin)
50021358	1	ChEMBL_2445171	Inhibition of Eu-tagged PD-1(unknown origin) /biotin-tagged PD-L1 (unknown origin) interaction preincubated with PD-L1 for 15 mins followed by PD-1 addition and measured after 90 mins by TR-FRET assay
50021358	2	ChEMBL_2445172	Inhibition of candida albicans CYP51 14alpha demethylase activity incubated for 30 mins by HPLC analysis
50021358	3	ChEMBL_2445173	Binding affinity to PD-L1 (unknown origin) assessed as dissociation constant by SPR analysis
50021360	1	ChEMBL_2445344	Inhibition of Caspase-3 (unknown origin)
50021360	2	ChEMBL_2445345	Inhibition of MAOB (unknown origin)
50021360	3	ChEMBL_2445346	Inhibition of COX-1 (unknown origin)
50021360	4	ChEMBL_2445347	Inhibition of GPER1 (unknown origin)
50021360	5	ChEMBL_2445348	Binding affinity to human GPER by SPR method
50021360	6	ChEMBL_2445414	Binding affinity to human GPER assessed as dissociation constant by SPR method
50021361	1	ChEMBL_2445416	Inhibition of HMG-CoA Reductase (unknown origin)
50021363	1	ChEMBL_2445435	Inhibition of IRAK4 (unknown origin)
50021363	2	ChEMBL_2445436	Inhibition of IRAK1 (unknown origin)
50021364	1	ChEMBL_2445598	Binding affinity to CRBN (unknown origin) by HTRF assay
50021364	2	ChEMBL_2445668	Binding affinity to IRAK4 (unknown origin) assessed as dissociation constant
50021365	1	ChEMBL_2445669	Binding affinity to human Avi/10-his tagged GCase (40 to 536 residues) expressed baculovirus expression system in Sf9 cells in assessed as dissociation constant by isothermal titration calorimetry analysis
50021365	2	ChEMBL_2445672	Positive allosteric modulation of GCase in human Fibroblast cells using GBA1-FQ2 as substrate preincubated for 24 hrs followed by substrate addition and measured after 3 hrs by Hoechst 33342 staining based imaging analysis
50021366	1	ChEMBL_2445703	Inhibition of CDK4 (unknown origin)
50021366	2	ChEMBL_2445704	Inhibition of CDK6 (unknown origin)
50021367	1	ChEMBL_2445714	Inhibition of human HDAC3 complexed with deacetylase activation domain of NCOR2 measured after 30 mins incubation by HDAC-Glo I/II assay
50021367	2	ChEMBL_2445715	Inhibition of human HDAC8 measured after 30 mins incubation by HDAC-Glo I/II assay
50021368	1	ChEMBL_2445761	Inhibition of full length N-terminal his6-tagged SARS-CoV-2 3CL protease using FAM-SAVLQ as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 30 mins by FRET assay
50021368	2	ChEMBL_2445765	Inhibition of Cathepsin L (unknown origin)
50021369	1	ChEMBL_2445766	Inhibition of PPM1A (unknown origin)
50021369	2	ChEMBL_2445767	Inhibition of recombinant human PPM1A using pNPP as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by absorbance based assay
50021371	1	ChEMBL_2445926	Positive allosteric modulation of human A3 adenosine receptor transfected in HEK293 cell membranes assessed as potentiation of 5-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide induced [35S]GTP-gammaS binding by measuring agonist EC50 at 0.001 uM pretreated for 1 hr followed by agonist addition and measured after 2 hrs by liquid scintillation counting method (Rvb = 39.3 nM)
50021371	2	ChEMBL_2445927	Positive allosteric modulation of human A3 adenosine receptor transfected in HEK293 cell membranes assessed as potentiation of 5-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide induced [35S]GTP-gammaS binding by measuring agonist EC50 at 0.01 uM pretreated for 1 hr followed by agonist addition and measured after 2 hrs by liquid scintillation counting method (Rvb = 39.3 nM)
50021371	3	ChEMBL_2445928	Positive allosteric modulation of human A3 adenosine receptor transfected in HEK293 cell membranes assessed as potentiation of 5-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide induced [35S]GTP-gammaS binding by measuring agonist EC50 at 0.1 uM pretreated for 1 hr followed by agonist addition and measured after 2 hrs by liquid scintillation counting method (Rvb = 39.3 nM)
50021371	4	ChEMBL_2445929	Positive allosteric modulation of human A3 adenosine receptor transfected in HEK293 cell membranes assessed as potentiation of 5-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide induced [35S]GTP-gammaS binding by measuring agonist EC50 at 1 uM pretreated for 1 hr followed by agonist addition and measured after 2 hrs by liquid scintillation counting method (Rvb = 39.3 nM)
50021371	5	ChEMBL_2445930	Positive allosteric modulation of human A3 adenosine receptor transfected in HEK293 cell membranes assessed as potentiation of 5-(2-chloro-6-((3-iodobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide induced [35S]GTP-gammaS binding by measuring agonist EC50 at 10 uM pretreated for 1 hr followed by agonist addition and measured after 2 hrs by liquid scintillation counting method (Rvb = 39.3 nM)
50021372	1	ChEMBL_2445971	Displacement of 125I-rat amylin from human AMY3R complex of CTR/RAMP3 expressed in Baby hamster kidney cell membrane incubated for 120 mins by SPA method
50021372	2	ChEMBL_2445972	Displacement of 125I-Calcitonin from human CTR expressed in Baby hamster kidney cell membrane incubated for 120 mins by SPA method
50021372	3	ChEMBL_2445974	Displacement of 125I-rat amylin from rat AMY3R complex of CTR/RAMP3 expressed in Baby hamster kidney cell membrane incubated for 120 mins by SPA method
50021372	4	ChEMBL_2445975	Displacement of 125I-Calcitonin from rat CTR expressed in Baby hamster kidney cell membrane incubated for 120 mins by SPA method
50021374	1	ChEMBL_2446254	Inhibition of human leukocyte MPO chlorinating activity using hydrogen peroxide as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins
50021374	2	ChEMBL_2446262	Inhibition of human neutrophil MPO using H2O2 as substrate
50021374	3	ChEMBL_2446263	Inhibition of PARP1 (unknown origin)
50021375	1	ChEMBL_2446293	Inhibition of recombinant human heparanase expressed in Insect cells assessed as fondaparinux cleavage by measuring disaccharide product incubated for 18 to 21 hrs
50021375	2	ChEMBL_2446297	Binding affinity to RBD domain of SARS-CoV-2 spike protein assessed as dissociation constant by Isothermal Titration Calorimetry
50021376	1	ChEMBL_2446375	Binding affinity to C-terminal human Katanin p60 (111 to 491 residues) expressed in Escherichia coli Rosetta (DE3) assessed as dissociation constant by SPR analysis
50021376	2	ChEMBL_2446376	Binding affinity to N-terminal human Katanin p60 (8 to 229 residues) expressed in Escherichia coli Rosetta (DE3) assessed as dissociation constant by SPR analysis
50021378	1	ChEMBL_2446497	Inhibition of XPO1 in human Jurkat cells assessed as suppression of IL-2 expression incubated for 6 hrs by Bright-Glo Luciferase based microplate reader analysis
50021382	1	ChEMBL_2446512	Inhibition of N-terminal GST-tagged LC3B (unknown origin) measured for 18 hrs by fluorescence polarization assay
50021382	2	ChEMBL_2446513	Inhibition of GST-tagged LC3B (unknown origin) using biotin-labeled LBP2 as substrate preincubated with compound for 12 hrs followed by substrate addition and measured after 2 hrs by Alphascreen assay
50021382	3	ChEMBL_2446514	Binding affinity to N-terminal GST-tagged LC3B (unknown origin) assessed as inhibition constant measured for 18 hrs by fluorescence polarization assay
50021382	4	ChEMBL_2446518	Inhibition of GST-tagged wild type LC3B (unknown origin) using biotin-labeled LBP2 as substrate preincubated with compound for 12 hrs followed by substrate addition and measured after 2 hrs by Alphascreen assay
50021382	5	ChEMBL_2446519	Inhibition of GST-tagged LC3B K49R mutant (unknown origin) using biotin-labeled LBP2 as substrate preincubated with compound for 12 hrs followed by substrate addition and measured after 2 hrs by Alphascreen assay
50021382	6	ChEMBL_2446522	Inhibition of LC3A (unknown origin) by Alphascreen assay
50021382	7	ChEMBL_2446523	Inhibition of LC3B (unknown origin) by Alphascreen assay
50021382	8	ChEMBL_2446524	Inhibition of LC3C (unknown origin) by Alphascreen assay
50021382	9	ChEMBL_2446525	Inhibition of GABARAP (unknown origin) by Alphascreen assay
50021382	10	ChEMBL_2446526	Inhibition of GABARAPL1 (unknown origin) by Alphascreen assay
50021382	11	ChEMBL_2446527	Inhibition of GABARAPL2 (unknown origin) by Alphascreen assay
50021383	1	ChEMBL_2446658	Inhibition of Nav1.8 channel (unknown origin) at half inactivation state at -120 mV conditioning pulse by voltage clamp electrophysiological recording
50021383	2	ChEMBL_2446659	Inhibition of Nav1.8 channel (unknown origin) at resting state at -120 mV conditioning pulse by voltage clamp electrophysiological recording
50021383	3	ChEMBL_2446660	Inhibition of Nav1.7 channel (unknown origin) at half inactivation state at -120 mV conditioning pulse by voltage clamp electrophysiological recording
50021383	4	ChEMBL_2446661	Inhibition of Nav1.7 channel (unknown origin) at resting state at -120 mV conditioning pulse by voltage clamp electrophysiological recording
50021384	1	ChEMBL_2446758	Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 45 mins by TECAN microtiter plate reader analysis
50021384	2	ChEMBL_2446759	Inhibition of human recombinant HDAC3 using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 45 mins by TECAN microtiter plate reader analysis
50021384	3	ChEMBL_2446760	Inhibition of human recombinant HDAC6 using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 45 mins by TECAN microtiter plate reader analysis
50021384	4	ChEMBL_2446761	Inhibition of human recombinant HDAC7 using Ac-Leu-Gly-Lys (Tfa)-AMC as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 45 mins by TECAN microtiter plate reader analysis
50021384	5	ChEMBL_2446762	Inhibition of human recombinant HDAC8 using Ac-Leu-Gly-Lys (Tfa)-AMC as substrate preincubated with compound for 10 mins followed by substrate addition and measured after 45 mins by TECAN microtiter plate reader analysis
50021385	1	ChEMBL_2446835	Inhibition of recombinant human LSD1 assessed as fluorescent intensity using Bio-H3Kme1 as substrate measured after 1 hr by HTRF assay
50021385	2	ChEMBL_2446838	Inhibition of MAO-A (unknown origin) assessed as luminescent signal by MAO-Glo-assay
50021385	3	ChEMBL_2446901	Inhibition of MAO-B (unknown origin) assessed as luminescent signal by MAO-Glo-assay
50021387	1	ChEMBL_2446903	Binding affinity to D5 receptor (unknown origin) assessed as inhibition constant
50021387	2	ChEMBL_2446904	Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant
50021387	3	ChEMBL_2446905	Binding affinity to D2 receptor (unknown origin) assessed as inhibition constant
50021387	4	ChEMBL_2446906	Binding affinity to D3 receptor (unknown origin) assessed as inhibition constant
50021387	5	ChEMBL_2446907	Binding affinity to D4 receptor (unknown origin) assessed as inhibition constant
50021387	6	ChEMBL_2446908	Binding affinity to 5HT2A (unknown origin) assessed as inhibition constant
50021387	7	ChEMBL_2446909	Binding affinity to 5HT7 receptor (unknown origin) assessed as inhibition constant
50021387	8	ChEMBL_2446910	Binding affinity to 5HT1B receptor (unknown origin) assessed as inhibition constant
50021387	9	ChEMBL_2446911	Binding affinity to 5HT1A receptor (unknown origin) assessed as inhibition constant
50021387	10	ChEMBL_2446912	Binding affinity to 5HT1D receptor (unknown origin) assessed as inhibition constant
50021387	11	ChEMBL_2446913	Binding affinity to 5HT2C receptor (unknown origin) assessed as inhibition constant
50021387	12	ChEMBL_2446914	Binding affinity to 5HT6 (unknown origin) assessed as inhibition constant
50021387	13	ChEMBL_2446915	Binding affinity to alpha1A adrenergic receptor (unknown origin) assessed as inhibition constant
50021387	14	ChEMBL_2446916	Binding affinity to alpha2B adrenergic receptor (unknown origin) assessed as inhibition constant
50021387	15	ChEMBL_2446917	Binding affinity to alpha2C adrenergic receptor (unknown origin) assessed as inhibition constant
50021387	16	ChEMBL_2446918	Binding affinity to alpha2A adrenergic receptor (unknown origin) assessed as inhibition constant
50021387	17	ChEMBL_2446919	Binding affinity to H1 receptor (unknown origin) assessed as inhibition constant
50021387	18	ChEMBL_2446920	Inhibition of D1 receptor (unknown origin)
50021387	19	ChEMBL_2446921	Inhibition of D2 receptor (unknown origin)
50021387	20	ChEMBL_2446923	Binding affinity to human recombinant D1 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counting method
50021387	21	ChEMBL_2446924	Binding affinity to human recombinant D2 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counting method
50021387	22	ChEMBL_2446925	Binding affinity to human recombinant D3 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counting method
50021387	23	ChEMBL_2446926	Binding affinity to human recombinant D4 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counting method
50021387	24	ChEMBL_2446927	Binding affinity to human recombinant D5 receptor expressed in CHO cells assessed as inhibition constant incubated for 60 mins by liquid scintillation counting method
50021387	25	ChEMBL_2446928	Binding affinity to human recombinant 5HT2A expressed in CHO cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting method
50021387	26	ChEMBL_2446929	Binding affinity to human recombinant 5HT2B expressed in CHO cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting method
50021387	27	ChEMBL_2446930	Binding affinity to human recombinant 5HT2C expressed in CHO cells assessed as inhibition constant incubated for 1 hr by liquid scintillation counting method
50021387	28	ChEMBL_2446931	Binding affinity to alpha1D adrenergic receptor (unknown origin) assessed as inhibition constant
50021387	29	ChEMBL_2446932	Binding affinity to human alpha2A adrenergic receptor assessed as inhibition constant
50021387	30	ChEMBL_2446933	Binding affinity to human alpha2B adrenergic receptor assessed as inhibition constant
50021387	31	ChEMBL_2446934	Binding affinity to human alpha2C adrenergic receptor assessed as inhibition constant
50021387	32	ChEMBL_2446942	Binding affinity to D2L receptor (unknown origin) assessed as inhibition constant
50021387	33	ChEMBL_2446943	Binding affinity to D2S receptor (unknown origin) assessed as inhibition constant
50021387	34	ChEMBL_2446946	Binding affinity to CB1 receptor (unknown origin) assessed as inhibition constant
50021387	35	ChEMBL_2446948	Binding affinity to CB2 receptor (unknown origin) assessed as inhibition constant
50021387	36	ChEMBL_2446950	Inhibition of AChE (unknown origin) by Ellman's colorimetric method
50021387	37	ChEMBL_2446951	Inhibition of BACE1 (unknown origin) by FRET assay
50021387	38	ChEMBL_2446952	Inhibition of BChE (unknown origin) by Ellman's colorimetric method
50021387	39	ChEMBL_2446955	Inhibition of MAO-A (unknown origin) measured by MAO-GloTM method
50021387	40	ChEMBL_2446956	Inhibition of MAO-B (unknown origin) measured by MAO-GloTM method
50021387	41	ChEMBL_2446957	Inhibition of D4 receptor (unknown origin)
50021387	42	ChEMBL_2446958	Inhibition of D3 receptor (unknown origin)
50021387	43	ChEMBL_2446959	Inhibition of Vasopressin V1A receptor (unknown origin)
50021392	1	ChEMBL_2447042	Inhibition of G9a (unknown origin)
50021392	2	ChEMBL_2447043	Inhibition of GLP (unknown origin)
50021393	1	ChEMBL_2447045	Binding affinity to N-terminal 6xHis-tagged full-length human Hsp90-beta (1 to 239 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant incubated for 15 mins by MST assay
50021393	2	ChEMBL_2447053	Inhibition of Hsp90 chaperone function in human PC3MM2 cells expressing firefly luciferase assessed as decrease in luciferase refolding activity incubated for 60 mins by ONE-Glo luciferase assay
50021395	1	ChEMBL_2447159	Inhibition of recombinant Plasmodium falciparum SUB1 using Ac-CKITAQDDEESC-OH as fluorogenic substrate pre-incubated for 5 mins followed by substrate addition and measured every 3 mins for 60 mins by fluorescence based SpectraMax M5e plate reader
50021395	2	ChEMBL_2447161	Inhibition of human 20s proteasome beta5 subunit mediated chymotrypsin-like activity using LLVY-R110 as substrate measured every three mins for 1 hr by fluorescence based SpectraMax M5e plate reader
50021395	3	ChEMBL_2447162	Inhibition of Plasmodium falciparum SUB1
50021397	1	ChEMBL_2447173	Inhibition of ATR/ATRIP (unknown origin) using 5-FAM-AK-17 as substrate preincubated with compound for 10 mins followed by ATP addition and measured after 240 mins by mobility shift assay
50021397	2	ChEMBL_2447189	Inhibition of human mTOR
50021397	3	ChEMBL_2447190	Inhibition of human ARK5
50021397	4	ChEMBL_2447191	Inhibition of human LCK
50021397	5	ChEMBL_2447192	Inhibition of human BTK
50021397	6	ChEMBL_2447193	Inhibition of human MER
50021397	7	ChEMBL_2447194	Inhibition of human ABL
50021397	8	ChEMBL_2447195	Inhibition of human BRSK2
50021397	9	ChEMBL_2447196	Inhibition of human IRAK4
50021397	10	ChEMBL_2447197	Inhibition of human Aurora B
50021397	11	ChEMBL_2447198	Inhibition of human JAK1
50021397	12	ChEMBL_2447199	Inhibition of human CDK2
50021397	13	ChEMBL_2447200	Inhibition of human AMPK alpha2/beta1/gamma1
50021397	14	ChEMBL_2447201	Inhibition of human LYN
50021397	15	ChEMBL_2447202	Inhibition of human DRAK2
50021397	16	ChEMBL_2447203	Inhibition of human FLT3
50021397	17	ChEMBL_2447238	Inhibition of human ATR
50021397	18	ChEMBL_2447239	Inhibition of human ATM
50021397	19	ChEMBL_2447240	Inhibition of human DNA-PK
50021397	20	ChEMBL_2447241	Inhibition of human PI3Kalpha
50021398	1	ChEMBL_2447318	Binding affinity to recombinant full-length Flag-tagged NSUN3 (unknown origin) expressed in baculovirus expression system by MST assay
50021399	1	ChEMBL_2447438	Inhibition of full length 6His-tagged wild type recombinant human SHP2 transfected in Escherichia coli BL21 Star (DE3) cells using DiFMUP as substrate preincubated for 40 mins in presence of bisphosphorylated IRS-1 peptide followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021399	2	ChEMBL_2447439	Inhibition of full length 6His-tagged wild type recombinant human SHP2 assessed as equilibrium dissociation constant at 2 uM by Grating-Coupled Interferometry
50021399	3	ChEMBL_2447491	Inhibition of wild type human SHP2 catalytic domain (248 to 527 residues) using DiFMUP as substrate preincubated for 1 hr followed by substrate addition by fluorescence based analysis
50021399	4	ChEMBL_2447492	Inhibition of wild type SHP2 (unknown origin)
50021399	5	ChEMBL_2447493	Inhibition of N-terminal 6His tagged wild type human SHP2 (1 to 530 residues) using DiFMUP as substrate preincubated for 30 mins in presence of bisphosphorylated peptide followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021399	6	ChEMBL_2447494	Inhibition of C-terminal 6His-tagged full length SHP2 (2 to 527 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate measured for 15 mins by fluorescence based analysis
50021399	7	ChEMBL_2447496	Inhibition of full length 6His-tagged wild type recombinant human SHP2 assessed as dissociation constant at 2 uM by Grating-Coupled Interferometry
50021400	1	ChEMBL_2447498	Inhibition of SARS-CoV-2 3CLpro
50021400	2	ChEMBL_2447499	Inhibition of recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured at 10 points for 5 mins by FRET assay
50021400	3	ChEMBL_2447502	Binding affinity to biotinylated SARS-CoV-2 3CLpro assessed as steady state dissociation constant incubated for 100 sec by biolayer interferometry analysis
50021400	4	ChEMBL_2447506	Inhibition of human Calpain 1 using N-Suc-Leu-Leu-Val-Tyr-7-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	5	ChEMBL_2447507	Inhibition of human Cathepsin B using CBZ-Arg-Arg-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	6	ChEMBL_2447508	Inhibition of human Cathepsin D using MCA-PLGL-Dap(Dnp)-AR-NH2 as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	7	ChEMBL_2447509	Inhibition of human Cathepsin K using Z-Phe-Arg-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	8	ChEMBL_2447510	Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	9	ChEMBL_2447511	Inhibition of human trypsin using CBZ-Arg-Arg-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	10	ChEMBL_2447512	Inhibition of human thrombin using benzoyl-FVR-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	11	ChEMBL_2447514	Inhibition of human DPP-4 using Gly-Pro-AMC as substrate incubated for 10 mins by FRET-enzymatic assay
50021400	12	ChEMBL_2447515	Inhibition of human Caspase-3 activity using Ac-DEVD-pNA as substrate incubated for 5 mins by FRET-enzymatic assay
50021400	13	ChEMBL_2447520	Inhibition of HCov-229E 3CLpro by FRET-enzymatic assay
50021400	14	ChEMBL_2447523	Inhibition of Infectious bronchitis virus 3CLpro by FRET-enzymatic assay
50021403	1	ChEMBL_2447542	Inverse agonist activity at Gal4-fused human full length Nurr1 LBD transfected in HEK293T cells assessed as suppression of Nurr1 activation incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	2	ChEMBL_2447546	Inverse agonist activity at Gal4-fused human full length Nurr1 LBD transfected in HEK293T cells assessed as suppression of Nurr1 activation incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	3	ChEMBL_2447548	Agonist activity at Gal4-fused human RXRalpha transfected in HEK293T cells incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	4	ChEMBL_2447555	Binding affinity to human N-terminal His6 tagged Nurr1 LBD (362 to 598 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 assessed as dissociation constant by ITC analysis
50021403	5	ChEMBL_2447556	Inverse agonist activity at Gal4-fused human full length Nurr1 monomer transfected in HEK293T cells cotransfected with pFR-Luc-NBRE incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	6	ChEMBL_2447557	Inverse agonist activity at Gal4-fused human full length Nurr1 homodimer transfected in HEK293T cells cotransfected with pFR-Luc-NurRE incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	7	ChEMBL_2447558	Inverse agonist activity at Gal4-fused human full length Nurr1 heterodimer transfected in HEK293T cells cotransfected with pFR-Luc-DR5 incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	8	ChEMBL_2447562	Inverse agonist activity at Gal4-fused human full length Nurr1 monomer transfected in HEK293T cells cotransfected with pFR-Luc-NBRE/pRL-SV40 (NBRE) incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	9	ChEMBL_2447563	Inverse agonist activity at Gal4-fused human full length Nurr1 homodimer transfected in HEK293T cells cotransfected with pFR-Luc-NurRE/pRL-SV40 (NurRE) incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	10	ChEMBL_2447564	Inverse agonist activity at Gal4-fused human full length Nurr1 heterodimer transfected in HEK293T cells cotransfected with pSG5-RXR/pFR-Luc-DR5/pRL-SV40 (DR5) incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	11	ChEMBL_2447568	Inverse agonist activity at human Nur77 (358 to 598 residues) transfected in HEK293T cells incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	12	ChEMBL_2447569	Inverse agonist activity at human Nur77 (358 to 598 residues) transfected in HEK293T cells assessed as fold remaining activity incubated for 12 to 14 hrs by firefly/renilla based Dual-Glo luciferase assay relative to control
50021403	13	ChEMBL_2447571	Inverse agonist activity at human Nur77 (358 to 598 residues) transfected in HEK293T cells incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	14	ChEMBL_2447572	Inverse agonist activity at human NOR-1 (393 to 626 residues) transfected in HEK293T cells incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021403	15	ChEMBL_2447578	Inverse agonist activity at Gal4-fused wild type human Nurr1 transfected in HEK293T cells incubated for 16 hrs by firefly/renilla based Dual-Glo luciferase assay
50021404	1	ChEMBL_2447605	Inhibition of human HDAC1 (379 to 382 residues) using (Arg-His-Lys-Lys(Ac)) as substrate incubated for 60 mins by HDAC-Glo I/II chemiluminescence assay
50021404	2	ChEMBL_2447607	Inhibition of human HDAC3 (379 to 382 residues) using (Arg-His-Lys-Lys(Ac)) as substrate incubated for 60 mins by HDAC-Glo I/II chemiluminescence assay
50021404	3	ChEMBL_2447608	Inhibition of human HDAC8 (379 to 382 residues) using (Arg-His-Lys-Lys(Ac)) as substrate incubated for 60 mins by HDAC-Glo I/II chemiluminescence assay
50021404	4	ChEMBL_2447609	Inhibition of human HDAC6 (379 to 382 residues) using (Arg-His-Lys-Lys(Ac)) as substrate incubated for 60 mins by HDAC-Glo I/II chemiluminescence assay
50021404	5	ChEMBL_2447610	Inhibition of human HDAC10 (379 to 382 residues) using (Arg-His-Lys-Lys(Ac)) as substrate incubated for 60 mins by HDAC-Glo I/II chemiluminescence assay
50021404	6	ChEMBL_2447611	Inhibition of human HDAC5
50021404	7	ChEMBL_2447612	Inhibition of human HDAC7
50021404	8	ChEMBL_2447613	Inhibition of human HDAC9
50021404	9	ChEMBL_2447614	Inhibition of human recombinant full length FLAG-tagged HDAC11 transfected in HEK293T cells using Ac-ETDKrnyr-AMC as substrate incubated for 30 mins by fluorescence based analysis
50021404	10	ChEMBL_2447615	Inhibition of human HDAC1 using fluorogenic Boc-Lys (aetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by measuring fluorescence based analysis
50021404	11	ChEMBL_2447616	Inhibition of human HDAC2 using fluorogenic Boc-Lys (aetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by measuring fluorescence based analysis
50021404	12	ChEMBL_2447617	Inhibition of human HDAC3 using fluorogenic Boc-Lys (aetyl)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 2 hrs by measuring fluorescence based analysis
50021404	13	ChEMBL_2447618	Inhibition of HDAC1 (unknown origin)
50021404	14	ChEMBL_2447619	Inhibition of HDAC2 (unknown origin)
50021404	15	ChEMBL_2447620	Inhibition of HDAC3 (unknown origin)
50021404	16	ChEMBL_2447621	Inhibition of HDAC8 (unknown origin)
50021404	17	ChEMBL_2447622	Inhibition of HDAC4 (unknown origin)
50021404	18	ChEMBL_2447623	Inhibition of human HDAC1
50021404	19	ChEMBL_2447624	Inhibition of human HDAC2
50021404	20	ChEMBL_2447625	Inhibition of human HDAC3
50021404	21	ChEMBL_2447626	Inhibition of HDAC6 (unknown origin)
50021404	22	ChEMBL_2447627	Inhibition of HDAC6 (unknown origin) using Fluor-de-Lys as substrate by fluorescence based analysis
50021404	23	ChEMBL_2447628	Inhibition of Schistosoma mansoni HDAC8
50021404	24	ChEMBL_2447629	Inhibition of human HDAC8 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50021404	25	ChEMBL_2447630	Inhibition of human HDAC6 using fluorogenic-(RHKKAc) as substrate by fluorescence based assay
50021405	1	ChEMBL_2447646	Inhibition of COX-2 (unknown origin) assessed as reduction in PGE2 production
50021405	2	ChEMBL_2447731	Inhibition of Leishmania amazonensis Arginase
50021406	1	ChEMBL_2447759	Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21(DE3) using arachidonic acid as substrate preincubated with compound for 15 mins followed by substrate and CaCl2 addition measured after 10 mins by RP-HPLC analysis
50021406	2	ChEMBL_2447760	Inhibition of 5-LOX in human Neutrophil preincubated with compound for 15 mins followed by A23187 addition measured after 10 mins by RP-HPLC analysis
50021406	3	ChEMBL_2447761	Inhibition of 5-LOX in human Neutrophil using arachidonic acid as substrate preincubated with compound for 15 mins followed by substrate and A23187 addition measured after 10 mins by RP-HPLC analysis
50021407	1	ChEMBL_2447867	Binding affinity to Estrogen receptor in human MCF7 cells assessed as inhibition constant incubated for 24 hrs in presence of [3H]-estradiol by scintillation counting analysis
50021407	2	ChEMBL_2447868	Antagonist activity at wildtype Estrogen receptor (unknown origin) transfected in SK-BR-3 cells co-transfected with estrogen receptor element incubated for 24 hrs in presence of beta-estradiol by Dual-Glo reporter gene assay
50021408	1	ChEMBL_2447991	Inhibition of human GRK5 (1 to 590) expressed in Escherichia coli using tubulin as substrate incubated for 5 mins in presence of [gamma-32P]-ATP by radiometric assay
50021408	2	ChEMBL_2447992	Inhibition of bovine GRK2 expressed in baculovirus infected insect cell using tubulin as substrate incubated for 5 mins in presence of [gamma-32P]-ATP by radiometric assay
50021409	1	ChEMBL_2447994	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-NPG as substrate preincubated for 10 mins followed by substrate addition
50021409	2	ChEMBL_2447996	Mixed type inhibition of Saccharomyces cerevisiae alpha-glucosidase assessed as inhibition constant using varying concentration of p-NPG substrate incubated for 10 mins
50021410	1	ChEMBL_2448048	Inhibition of human recombinant AKR1B1
50021411	1	ChEMBL_2448063	Inhibition of PARP-1 (unknown origin) using Femto-ECL as substrate preincubated for 2.7 hrs followed by substrate addition by chemiluminescence assay
50021412	1	ChEMBL_2448130	Inhibition of recombinant Mycobacterium tuberculosis DprE1 expressed in Escherichia coli measured after 120 mins by Amplex Red/peroxidase coupled assay
50021413	1	ChEMBL_2448141	Inhibition of N-terminal his 6 tagged recombinant Leishmania major PTR1 expressed in Escherichia coli BL21 (DE3) cells preincubated for 10 mins followed by NADPH addition and measured after 10 to 50 mins by multilabel plate reader method
50021414	1	ChEMBL_2448173	Inhibition of human Keap1 KELCH domain (321 to 609 residues) expressed in Escherichia coli BL21 DE3 pLysS cells/Nrf2 (unknown origin) protein-protein interaction preincubated with Keap1 for 1 hr followed by Nrf2 addition and measured after 1 hr by fluorescence polarization assay
50021414	2	ChEMBL_2448177	Binding affinity to human Keap1-Nrf2 protein-protein interaction assessed as inhibition constant incubated for 60 mins by fluorescent polarization assay
50021414	3	ChEMBL_2448178	Binding affinity to human Keap1-Nrf2 protein-protein interaction assessed as dissociation constant
50021414	4	ChEMBL_2448183	Inhibition of amyloid beta 42 (unknown origin) self aggregation by Thioflavin T-based fluorometric assay
50021415	1	ChEMBL_2448184	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50021415	2	ChEMBL_2448185	Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50021415	3	ChEMBL_2448191	Inhibition of electric eel AChE assessed as dissociation constant using acetylthiocholine iodide as substrate pre-incubated for 30 mins followed by substrate addition and measured after 5 mins by DTNB reagent based Ellman's method
50021415	4	ChEMBL_2448225	Inhibition of electric eel AChE
50021415	5	ChEMBL_2448226	Inhibition of equine serum BuChE
50021415	6	ChEMBL_2448227	Inhibition of AChE (unknown origin)
50021417	1	ChEMBL_2448234	Inhibition of FLT3 (unknown origin) by bioluminescent ADP-Glo assay
50021419	1	ChEMBL_2448271	Inhibition of C-terminal His-tagged SARS-CoV-2 PLpro preincubated for 1 hrs followed by substrate addition and measured after 3 hrs by FRET assay
50021419	2	ChEMBL_2448273	Inhibition of C-terminal 6-His tagged TEV fused SARS-CoV-2 PLpro expressed in Escherichia coli BL21 (DE3) cells using Z-RLRGG-AMC as substrate incubated for 30 mins
50021419	3	ChEMBL_2448275	Inhibition of C-terminal His-tagged SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 PLpro expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 mins followed by substrate addition and measured after 1 hrs by FRET assay
50021420	1	ChEMBL_2448327	Inhibition of His6-tagged recombinant BRD4 BD1 domain (44 to 168 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 0.5 hrs by FITC-labeled JQ1 based competitive fluorescence polarization assay
50021420	2	ChEMBL_2448328	Inhibition of N-terminal GST-tagged recombinant human BRD4 BD1 expressed in Escherichia coli incubated for 15 mins by TR-FRET assay
50021420	3	ChEMBL_2448330	Inhibition of N-terminal GST-tagged recombinant full length human c-Src kinase expressed in baculovirus-infected Sf9 cells preincubated for 30 mins followed by HTRF buffer addition and measured after 1 hr by HTRF KinEASE-TK assay
50021421	1	ChEMBL_2448415	Inhibition of c-Met (unknown origin) preincubated for 10 mins followed by substrate and ATP addition measured after 50 mins by fluorescence based microtiter-plate reader analysis
50021422	1	ChEMBL_2448445	Binding affinity to human recombinant CD73 (29 to 549 residues) expressed in Escherichia coli assessed as inhibition constant incubated for 1 hr by malachite green based spectrophotometric assay
50021422	2	ChEMBL_2448446	Binding affinity to human recombinant N-terminal 6His-tagged CD73 (27 to 549 residues) expressed in Escherichia coli assessed as inhibition constant
50021422	3	ChEMBL_2448447	Inhibition of human Ecto-5'-nucleotidase expressed in Sf9 cells using AMP as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hrs by spectrophotometeric analysis
50021422	4	ChEMBL_2448448	Inhibition of N-terminal human recombinant Ecto-5'-nucleotidase
50021422	5	ChEMBL_2448450	Inhibition of N-terminal His-tagged human recombinant CD73 (27 to 527 residues) expressed in CHO cells incubated for 1 hr by malachite green based spectrophotometric assay
50021422	6	ChEMBL_2448451	Inhibition of CD73 (unknown origin)
50021422	7	ChEMBL_2448452	Binding affinity to human recombinant CD73 assessed as inhibition constant
50021422	8	ChEMBL_2448453	Inhibition of CD73 (unknown origin) expressed as Escherichia coli using AMP as substrate preincubated for 15 mins and measured after 30 mins by malachite green based spectrophotometric assay
50021422	9	ChEMBL_2448454	Inhibition of Ecto-5'-nucleotidase (unknown origin)
50021422	10	ChEMBL_2448455	Inhibition of human recombinant CD73
50021423	1	ChEMBL_2448457	Inhibition of CSF1R (unknown origin) using EEEIYGEFE as substrate in presence of ATP by Z-LYTE based FRET assay
50021423	2	ChEMBL_2448458	Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate incubated for 1 hr in presence of 25 uM of ATP by LANCE Ultra based TR-FRET assay
50021423	3	ChEMBL_2448459	Inhibition of CSF1R (unknown origin) using ultra ULight GT peptide as substrate incubated for 1 hr in presence of 25 mM of ATP by LANCE Ultra based TR-FRET assay
50021426	1	ChEMBL_2448518	Binding affinity to BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) at 1:1 protein:compound ratio by MST assay
50021426	2	ChEMBL_2448519	Binding affinity to BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) at 1:1 protein:compound ratio by MST assay
50021426	3	ChEMBL_2448521	Binding affinity to BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50021426	4	ChEMBL_2448522	Binding affinity to BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) by ITC assay
50021426	5	ChEMBL_2448527	Inhibition of BRD4 BD1 (unknown origin) incubated for 15 mins by HTRF method
50021426	6	ChEMBL_2448528	Inhibition of BRD4 BD2 (unknown origin) incubated for 15 mins by HTRF method
50021426	7	ChEMBL_2448529	Inhibition of BRD3 BD1 (unknown origin) incubated for 15 mins by HTRF method
50021426	8	ChEMBL_2448530	Inhibition of BRD3 BD2 (unknown origin) incubated for 15 mins by HTRF method
50021426	9	ChEMBL_2448531	Inhibition of BRD2 BD1 (unknown origin) incubated for 15 mins by HTRF method
50021426	10	ChEMBL_2448532	Inhibition of BRD2 BD2 (unknown origin) incubated for 15 mins by HTRF method
50021426	11	ChEMBL_2448533	Inhibition of BRDT BD1 (unknown origin) incubated for 15 mins by HTRF method
50021426	12	ChEMBL_2448534	Inhibition of BRDT BD2 (unknown origin) incubated for 15 mins by HTRF method
50021426	13	ChEMBL_2448581	Inhibition of BRD4 BD1 (unknown origin)
50021426	14	ChEMBL_2448582	Inhibition of BRD4 BD2 (unknown origin)
50021428	1	ChEMBL_2448617	Inhibition of wild type full length recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli by spectrophotometric analysis
50021430	1	ChEMBL_2448625	Inhibition of human erythrocyte AChE incubated for 10 mins
50021430	2	ChEMBL_2448626	Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition and measured after 10 mins by DTNB reagent based Ellman's method
50021431	1	ChEMBL_2448679	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) by fluorescence polarization assay
50021431	2	ChEMBL_2448680	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) assessed as inhibition constant by TR-FRET assay
50021431	3	ChEMBL_2448681	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50021431	4	ChEMBL_2448682	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) by TR-FRET assay
50021434	1	ChEMBL_2448690	Inhibition of Escherichia coli FabH
50021434	2	ChEMBL_2448693	Binding affinity to Escherichia coli FabH assessed as dissociation constant by Isothermal titration calorimetry method
50021435	1	ChEMBL_2448777	Inhibition of DDR1 (unknown origin)
50021435	2	ChEMBL_2448778	Inhibition of DDR2 (unknown origin)
50021437	1	ChEMBL_2448811	Antagonist activity at AhR receptor (unknown origin) expressed in mouse CBG2.8D cells assessed as inhibition of TCDD-induced receptor activation pretreated for 3 hrs followed by TCDD challenge and measured after 24 hrs by luciferase reporter gene assay
50021438	1	ChEMBL_2448882	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021438	2	ChEMBL_2448883	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021438	3	ChEMBL_2448884	Inhibition of human CA4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021438	4	ChEMBL_2448885	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021438	5	ChEMBL_2448886	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021441	1	ChEMBL_2448895	Displacement of [3H]DPN from mouse KOR stably expressed in HEK293T cell membrane assessed as inhibition constant by radioligand binding assay
50021443	1	ChEMBL_2448896	Binding affinity to SARS-CoV-2 Main protease assessed as dissociation constant by SPR analysis
50021443	2	ChEMBL_2448897	Binding affinity to human recombinant flag His-tagged PRMT5 ( 1 to 637 residues) expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50021443	3	ChEMBL_2448898	Inhibition of Mycobacterium tuberculosis H37Ra pantothenate synthetase
50021443	4	ChEMBL_2448899	Binding affinity to human recombinant N-terminal His-tagged TEAD1 (residues 209 to 424) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant
50021443	5	ChEMBL_2448900	Binding affinity to human recombinant N-terminal His-tagged TEAD2 (residues 209 to 424) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant
50021443	6	ChEMBL_2448901	Binding affinity to Interleukin-1beta (unknown origin) assessed as dissociation constant
50021445	1	ChEMBL_2448917	Inhibition of GPX4 (unknown origin) incubated for 1 hr followed by NADPH and cumene hydroperoxide addition
50021445	2	ChEMBL_2448918	Inhibition of CDK4/CyclinD3 (unknown origin) preincubated for 15 mins followed by substrate and ATP addition incubated for 10 mins by ADP-glo luminescent assay
50021445	3	ChEMBL_2448919	Inhibition of CDK6/CyclinD3 (unknown origin) preincubated for 15 mins followed by substrate and ATP addition incubated for 10 mins by ADP-glo luminescent assay
50021446	1	ChEMBL_2448965	Binding affinity to BRD4 BD1 (unknown origin) by ITC analysis
50021446	2	ChEMBL_2448966	Binding affinity to BRD4 BD2 (unknown origin) by ITC analysis
50021446	3	ChEMBL_2448967	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50021446	4	ChEMBL_2448968	Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay
50021446	5	ChEMBL_2448970	Binding affinity to human BRD4 BD1 assessed as dissociation constant by isothermal calorimetry analysis
50021446	6	ChEMBL_2448971	Binding affinity to human BRD4 BD2 assessed as dissociation constant by isothermal calorimetry analysis
50021446	7	ChEMBL_2448973	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by ITC analysis
50021446	8	ChEMBL_2448974	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by ITC analysis
50021446	9	ChEMBL_2448976	Inhibition of BRD4 BD1 (unknown origin) by Alphascreen assay
50021446	10	ChEMBL_2448977	Inhibition of BRD4 BD2 (unknown origin) by Alphascreen assay
50021446	11	ChEMBL_2448979	Binding affinity to his6-tagged human BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli Rossetta BL21 (DE3) cells assessed as dissociation constant by SPR analysis
50021446	12	ChEMBL_2448980	Binding affinity to his-tagged human BRD4 BD2 assessed as dissociation constant by SPR analysis
50021446	13	ChEMBL_2448982	Inhibition of N-terminal his6-tagged human BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli Rossetta BL21 (DE3) cells incubated for 15 mins by TR-FRET assay
50021446	14	ChEMBL_2448983	Inhibition of N-terminal his6-tagged human BRD4 BD2 incubated for 15 mins by TR-FRET assay
50021446	15	ChEMBL_2448985	Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	16	ChEMBL_2448986	Binding affinity to BRD2 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	17	ChEMBL_2448987	Binding affinity to BRD3 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	18	ChEMBL_2448988	Binding affinity to BRD3 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	19	ChEMBL_2448989	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	20	ChEMBL_2448990	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	21	ChEMBL_2448991	Binding affinity to BRDT BD1 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021446	22	ChEMBL_2448992	Binding affinity to BRDT BD2 (unknown origin) assessed as dissociation constant by BROMOscan analysis
50021447	1	ChEMBL_2449025	Inhibition of EGFR L858R mutant (unknown origin) harboring cysteine at alphaD-1 position by LanthaScreen assay
50021447	2	ChEMBL_2449026	Inhibition of JAK3 (unknown origin) harboring cysteine at alphaD-1 position by LanthaScreen assay
50021447	3	ChEMBL_2449027	Inhibition of BTK (unknown origin) harboring cysteine at alphaD-1 position by LanthaScreen assay
50021447	4	ChEMBL_2449028	Inhibition of BLK (unknown origin) harboring cysteine at alphaD-1 position by LanthaScreen assay
50021447	5	ChEMBL_2449029	Inhibition of HER2 (unknown origin) by LanthaScreen assay
50021447	6	ChEMBL_2449030	Inhibition of MEK5 (unknown origin) by LanthaScreen assay
50021447	7	ChEMBL_2449034	Displacement of K-4 tracer from wild type BLK in HEK293T cells expressing NanoLuc preincubated for 3 hrs followed by tracer addition and measured after 1 hr by NanoBRET analysis
50021447	8	ChEMBL_2449035	Displacement of K-10 tracer from wild type BTK in HEK293T cells expressing NanoLuc preincubated for 3 hrs followed by tracer addition and measured after 1 hr by NanoBRET analysis
50021448	1	ChEMBL_2449049	Antagonist activity at human NOD1 expressed in HEK-Blue cells coexpressing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of C12-iE-DAP-induced NF-kappaB transcriptional activity by measuring decrease in SEAP activity preincubated for 1 hr followed by C12-iE-DAP addition and measured after 18 hrs by spectrophotometric analysis
50021448	2	ChEMBL_2449050	Antagonist activity at human NOD2 expressed in HEK-Blue cells coexpressing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of MDP-induced NF-kappaB transcriptional activity by measuring decrease in SEAP activity preincubated for 1 hr followed by MDP addition and measured after 18 hrs by spectrophotometric analysis
50021448	3	ChEMBL_2449057	Binding affinity to NOD1 (unknown origin) assessed as equilibrium dissociation constant by fluorescence titration based spectrofluorometric analysis
50021448	4	ChEMBL_2449062	Antagonist activity at human NOD1 (unknown origin)
50021448	5	ChEMBL_2449063	Antagonist activity at human NOD2 (unknown origin)
50021449	1	ChEMBL_2449217	Inhibition of ATM in human HT-29 cells incubated for 2 hrs by Alexa Fluor 488/Hoeschst staining based plate reader assay
50021451	1	ChEMBL_2449250	Inhibition of Mcl-1 (172-327) (unknown origin) using BIOTIN-AHXGQVGRQLAIIGDDINR-amide peptide by TR-FRET based BAK peptide displacement assay
50021451	2	ChEMBL_2449252	Inhibition of Bcl-xl (1-212) (unknown origin) using BIOTIN-AHXAHXGQVGRQLAIIGDDINR-amide peptide by TR-FRET based BAK peptide displacement assay
50021452	1	ChEMBL_2449262	Antagonist activity at TLR4 in mouse BV-2 cells assessed as inhibition of LPS-induced NO overproduction incubated for 24 hrs by 2,3-diaminonaphthalene reagent based microplate reader analysis
50021452	2	ChEMBL_2449274	Antagonist activity at TLR4 in mouse BV-2 cells assessed as inhibition of LPS-induced TNF-alpha production by ELISA
50021452	3	ChEMBL_2449301	Antagonist activity at TLR4 in mouse BV-2 cells assessed as inhibition of LPS-induced NO overproduction incubated for 24 hrs by 2,3-diaminonaphthalene reagent based Beckman Coulter reader analysis
50021454	1	ChEMBL_2449328	Inhibition of p300/CBP (unknown origin) using histone H3 (1 to 21 residues) as substrate incubated for 90 mins by AlphaLISA assay
50021455	1	ChEMBL_2449388	Binding affinity to human SOS1 (560 to 1049 residues) expressed in Escherichia coli by ITC assay
50021455	2	ChEMBL_2449389	Binding affinity to SOS1 (unknown origin)
50021456	1	ChEMBL_2449456	Inhibition of BTK (unknown origin) measured after 60 mins incubation by microtiter-plate reader
50021456	2	ChEMBL_2449457	Binding affinity to BTK (unknown origin) assessed as inhibition constant measured after 60 mins incubation by microtiter-plate reader
50021456	3	ChEMBL_2449458	Inhibition of CRBN (unknown origin) measured after 60 mins incubation by BMG reader
50021457	1	ChEMBL_2449499	Inhibition of N-terminal GST-tagged full-length human CDK2(1 to 298 residues) /FLAG-tagged human Cyclin E1 (1 to 410 residues) expressed in baculovirus-infected Sf21 cells incubated for 60 mins in presence of ATP by HTRF assay
50021457	2	ChEMBL_2449500	Inhibition of N-terminal GST-tagged full length human CDK1 (1 to 297 residues)/human Cyclin B1 (1 to 433 residues) expressed in baculovirus infected Sf21 cells incubated for 60 mins in presence of ATP by HTRF assay
50021457	3	ChEMBL_2449502	Inhibition of N-terminal GST-tagged human CDK4 (4 to 303 residues)/N-terminal GST-tagged human Cyclin D1 (4 to 295 residues) expressed in Sf9 insect cells incubated for 60 mins in presence of ATP by HTRF assay
50021457	4	ChEMBL_2449504	Inhibition of N-terminal GST-tagged human CDK6 (1 to 326 residues)/N-terminal 6-His fused human Cyclin D3 (1 to 292 residues) expressed in Sf9 insect cells incubated for 60 mins by HTRF assay
50021457	5	ChEMBL_2449506	Inhibition of C-terminal 6-His tagged recombinant full-length human CDK7/recombinant full-length human Cyclin H/N-terminal GST-tagged recombinant full-length human MAT1 expressed in baculovirus infected Sf21 insect cells incubated for 60 mins in presence of ATP by HTRF assay
50021457	6	ChEMBL_2449508	Inhibition of N-terminal GST-tagged full length human CDK9 (1 to 372 residues)/His-tagged human Cyclin T1 (1 to 726 residues) expressed in baculovirus infected Sf21 insect cells incubated for 60 mins by HTRF assay
50021457	7	ChEMBL_2449538	Inhibition of JAK2 (unknown origin) incubated for 90 mins in presence of ATP by fluorescence microplate reader
50021457	8	ChEMBL_2449539	Inhibition of CDK2 in human whole blood spiked with CCNE1-amplified human COV318 cells assessed as reduction in retinoblastoma protein phosphorylation at S780 residue incubated overnight by HTRF microplate reader
50021457	9	ChEMBL_2449540	Inhibition of CDK2 in CCNE1-amplified human COV318 cells assessed as reduction in retinoblastoma protein phosphorylation at S780 residue incubated overnight by HTRF microplate reader
50021457	10	ChEMBL_2449541	Inhibition of CDK1 in human OVCAR-3 cells assessed as reduction in nucleophosmin phosphorylation at T199 residue incubated for 30 mins by In-cell western assay
50021459	1	ChEMBL_2449563	Agonist activity at human ClpP expressed in Escherichia coli using AC-WLA-AMC as substrate measured every 5 mins for 1 hr by fluorescence based analysis
50021459	2	ChEMBL_2449566	Binding affinity to human ClpP expressed in Escherichia coli assessed as dissociation constant by ITC method
50021460	1	ChEMBL_2449970	Inhibition of recombinant ADAMTS7 (unknown origin) using HiLyteFluor-488 DELSSMVLELRGLRT-K(QXL520)-E-NH2 as substrate incubated for 120 mins by FRET assay
50021460	2	ChEMBL_2449987	Inhibition of recombinant mouse ADAMTS7 using HiLyteFluor-488 DELSSMVLELRGLRT-K(QXL520)-E-NH2 as substrate incubated for 120 mins by FRET assay
50021460	3	ChEMBL_2449988	Inhibition of recombinant rat ADAMTS7 using HiLyteFluor-488 DELSSMVLELRGLRT-K(QXL520)-E-NH2 as substrate incubated for 120 mins by FRET assay
50021461	1	ChEMBL_2450033	Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escherichia coli (DE3) (NEB) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-Lyte assay
50021461	2	ChEMBL_2450043	Inhibition of FGFR1 (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-Lyte assay
50021461	3	ChEMBL_2450044	Inhibition of FGFR4 V550L mutant (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-Lyte assay
50021461	4	ChEMBL_2450045	Inhibition of FGFR4 V550M mutant (unknown origin) using Tyr04 peptide as substrate incubated for 1 hr in presence of ATP by FRET based Z'-Lyte assay
50021462	1	ChEMBL_2450078	Inhibition of human recombinant PD-1 by HTRF analysis
50021462	2	ChEMBL_2450079	Inhibition of PD-1/PD-L1 interaction (unknown origin)
50021462	3	ChEMBL_2450080	Inhibition of human PD-1/PD-L1 interaction by HTRF analysis
50021462	4	ChEMBL_2450081	Binding affinity to his-tagged mouse PD-L1 expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50021462	5	ChEMBL_2450082	Binding affinity to N-terminal human PD-L1 expressed in HEK293 cells assessed as dissociation constant by SPR analysis
50021464	1	ChEMBL_2450240	Inhibition of BSEP (unknown origin)
50021465	1	ChEMBL_2450241	Inhibition of GST-tagged recombinant MALT1 (unknown origin) expressed in Escherichia coli using Ac-LRSR-AMC as substrate by fluorescence based assay
50021465	2	ChEMBL_2450242	Inhibition of MALT1 (unknown origin)
50021465	3	ChEMBL_2450243	Inhibition of His-tagged recombinant human MALT1 (339 to 719 residues) expressed in Escherichia coli BL(lambdaDE3) using Ac-LRSR-AMC as substrate measured for 3 hrs at every 30 mins by fluorescence based assay
50021465	4	ChEMBL_2450244	Inhibition of N-terminal His-tagged LZ-fused MALT1 (340 to 789 residues)(unknown origin) expressed in Escherichia coli using Ac-LVSR-AMC as substrate by fluorescence based assay
50021465	5	ChEMBL_2450263	Binding affinity to N-terminal His-tagged LZ-fused MALT1 (340 to 789 residues)(unknown origin) expressed in Escherichia coli assessed as inhibition constant
50021466	1	ChEMBL_2450387	Inhibition of wild type recombinant SARS-CoV-2 3CLpro (1 to 306 residues) expressed in Escherichia coli (DE3) competent cells using CP488-ESATLQSGLRKAK-(CPQ2)-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 4 hrs by FRET assay
50021466	2	ChEMBL_2450447	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) cells using Abz-SVTLQSG-Tyr(NO2)-R as substrate incubated for 10 mins by FRET assay
50021466	3	ChEMBL_2450449	Inhibition of SARS-CoV-2 3CLpro using ESATLQSGLRKAK-NH2 as substrate incubated for 10 mins by FRET assay
50021466	4	ChEMBL_2450451	Inhibition of recombinant SARS-CoV-2 Wuhan-Hu-1 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 20 mins by FRET assay
50021466	5	ChEMBL_2450453	Inhibition of recombinant SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME (Edans) as substrate incubated for 1 hr by FRET assay
50021466	6	ChEMBL_2450455	Inhibition of SARS-CoV-2 3CLpro
50021471	1	ChEMBL_2450480	Binding affinity to human ZNF207 assessed as dissociation constant by SPR analysis
50021473	1	ChEMBL_2450751	Activation of PXR (unknown origin)
50021474	1	ChEMBL_2450772	Inhibition of DHT induced androgen receptor transcription in human LNCaP cells cotransfected with PSA-luc and renilla plasmid incubated for 24 hrs by Dual luciferase assay
50021474	2	ChEMBL_2450773	Inhibition of glucocorticoid receptor transcription in human PC-3 cells cotransfected with MMTV-luc and renilla plasmid at incubated for 24 hrs by Dual luciferase assay
50021474	3	ChEMBL_2450781	Binding affinity to androgen receptor LBD (unknown origin) incubated for 2 hrs by fluorescence polarization assay
50021474	4	ChEMBL_2450782	Binding affinity to his tagged glucocorticoid receptor (unknown origin) assessed as dissociation constant by Biolayer interferometry assay
50021474	5	ChEMBL_2450804	Antagonist activity at androgen receptor in human LNCaP cells incubated for 24 hrs by luminescence based firefly luciferase assay
50021474	6	ChEMBL_2450805	Antagonist activity at glucocorticoid receptor in human HeLa cells incubated for 24 hrs by luminescence based firefly luciferase assay
50021475	1	ChEMBL_2450810	Displacement of N-alpha-[methyl-3H]methylhistamine dihydrochloride from human Histamine H3 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 30 mins by liquid scintillation analyzer
50021475	2	ChEMBL_2450811	Displacement of N-alpha-[methyl-3H]-methylhistamine dihydrochloride from Sprague-Dawley rat cerebral cortex membrane Histamine H3 receptor assessed as inhibition constant incubated for 30 mins by scintillation counter
50021476	1	ChEMBL_2450835	Inhibition of recombinant human PKM2 expressed in Escherichia coli preincubated for 30 mins followed by beta-NADH addition and measured over 20 mins by LDH-coupled enzyme assay
50021476	2	ChEMBL_2450855	Binding affinity to human PKM2 expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50021476	3	ChEMBL_2450877	Activation of PKM2 (unknown origin)
50021476	4	ChEMBL_2450878	Inhibition of PKM2 (unknown origin)
50021477	1	ChEMBL_2450880	Displacement of [3H]ifenprodil from rat GluN2B assessed as inhibition constant measured after 120 mins by competitive binding assay
50021477	2	ChEMBL_2450882	Antagonist activity at GluN1/GluN2B receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of receptor-mediated current by patch clamp assay
50021479	1	ChEMBL_2451067	Inhibition of human Neutrophil elastase
50021479	2	ChEMBL_2451068	Inhibition of mouse Neutrophil elastase
50021481	1	ChEMBL_2451072	Inhibition of GST-tagged LRRK2 (unknown origin) using LRRKtide as substrate incubated for 2 hrs in presence of ATP by Lanthascreen assay
50021481	2	ChEMBL_2451073	Inhibition of MST1 (unknown origin)
50021481	3	ChEMBL_2451074	Inhibition of MST2 (unknown origin)
50021481	4	ChEMBL_2451075	Inhibition of MST3 (unknown origin)
50021481	5	ChEMBL_2451076	Inhibition of MST4 (unknown origin)
50021481	6	ChEMBL_2451077	Inhibition of MST1 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	7	ChEMBL_2451078	Inhibition of MST2 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	8	ChEMBL_2451079	Inhibition of MST3 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	9	ChEMBL_2451080	Inhibition of MST4 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	10	ChEMBL_2451081	Inhibition of SIK2 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	11	ChEMBL_2451087	Inhibition of MST3 (unknown origin) expressed in intact HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	12	ChEMBL_2451088	Inhibition of MST3 (unknown origin) expressed in lysed HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	13	ChEMBL_2451090	Inhibition of NEK2 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	14	ChEMBL_2451092	Inhibition of CK1e (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021481	15	ChEMBL_2451093	Inhibition of FES (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 20 hrs by NanoBRET assay
50021482	1	ChEMBL_2451105	Binding affinity to mouse His-tagged CHI3L1 assessed as dissociation constant incubated for 10 mins by NT647 fluorescent dye based microscale thermophoresis assay
50021482	2	ChEMBL_2451106	Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(pyridin-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol4-yl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxa-40-azapentatetracontanoate from human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells incubated for 1 hr by competitive AlphaScreen assay
50021482	3	ChEMBL_2451107	Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(pyridin-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol4-yl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxa-40-azapentatetracontanoate from human His-tagged CHI3L2 expressed in HEK293F cells incubated for 1 hr by competitive AlphaScreen assay
50021482	4	ChEMBL_2451110	Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(thiazol-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxa-40-azapentatetracontanoate from mouse His-tagged CHI3L1 incubated for 1 hr by competitive AlphaScreen assay
50021482	5	ChEMBL_2451113	Inhibition of human C-terminal His tagged CHIT1 expressed in CHO-K1 cells using 4-methylumbelliferyl beta-D-N,N',N''-triacetylchitotrioside as substrate incubated for 60 mins by fluorometric assay
50021482	6	ChEMBL_2451116	Inhibition of human C-terminal His tagged AMCase expressed in CHO-K1 cells using 4-methylumbelliferyl beta-D-N,N'-diacetylchitobioside hydrate as substrate incubated for 60 mins by fluorometric assay
50021482	7	ChEMBL_2451122	Displacement of biotinylated ((2R,5S)-5-(4-chlorobenzyl)-4-(1-(pyridin-2-yl)piperidin-4-yl)morpholin-2-yl)methyl 41-oxo-45-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxa-40-azapentatetracontanoate from human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells assessed as inhibition of protein-biotinylated compound interaction incubated for 1 hr by competitive AlphaScreen assay
50021482	8	ChEMBL_2451123	Displacement of biotinylated HSIII from human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells by competitive AlphaScreen assay
50021482	9	ChEMBL_2451125	Binding affinity to human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells assessed as dissociation constant by bio-layer interferometry streptavidin sensor based assay
50021482	10	ChEMBL_2451126	Binding affinity to mouse His-tagged CHI3L1 assessed as dissociation constant by bio-layer interferometry streptavidin sensor based assay
50021482	11	ChEMBL_2451127	Binding affinity to human His-tagged CHI3L1 (1 to 383 residues) expressed in HEK293F cells assessed as dissociation constant incubated for 10 mins by NT647 fluorescent dye based microscale thermophoresis assay
50021483	1	ChEMBL_2451129	Inhibition of human strychnine-insensitive glycine receptor alpha 1 expressed in HEK293 cells
50021483	2	ChEMBL_2451130	Inhibition of human strychnine-insensitive glycine receptor alpha 2 expressed in HEK293 cells
50021483	3	ChEMBL_2451132	Inhibition of Glycine receptor beta 2 (unknown origin)
50021484	1	ChEMBL_2451133	Inhibition of human recombinant CA1 assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	2	ChEMBL_2451134	Inhibition of human recombinant CA2 assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	3	ChEMBL_2451135	Inhibition of human recombinant CA4 assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	4	ChEMBL_2451136	Inhibition of human recombinant CA5A assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	5	ChEMBL_2451137	Inhibition of human recombinant CA5B assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	6	ChEMBL_2451138	Inhibition of human recombinant CA7 assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	7	ChEMBL_2451139	Inhibition of human recombinant CA12 assessed as inhibition constant incubated for 45 mins by phenol red dye based stopped-flow CO2 hydration assay
50021484	8	ChEMBL_2451140	Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using kynuramine as substrate incubated for 10 10 mins by spectrophotometric assay
50021484	9	ChEMBL_2451141	Inhibition of human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using kynuramine as substrate incubated for 10 10 mins by spectrophotometric assay
50021484	10	ChEMBL_2451148	Inhibition of human MAO-B incubated for 15 mins by fluorescence based microplate analysis
50021485	1	ChEMBL_2451150	Allosteric inhibition of N-terminal his6-tagged human recombinant RORgamma LBD (261 to 518 residues) expressed in Sf9 insect cells by HTRF assay
50021485	2	ChEMBL_2451153	Binding affinity to N-terminal his6-tagged human recombinant RORgamma LBD (261 to 518 residues) expressed in Sf9 insect cells assessed as dissociation constant by SPR analysis
50021485	3	ChEMBL_2451154	Binding affinity to N-terminal his6-tagged human recombinant RORgamma LBD (261 to 518 residues) expressed in Sf9 insect cells assessed as dissociation constant incubated for 30 mins by fluorescence polarization assay
50021485	4	ChEMBL_2451155	Allosteric inhibition of human RORgamma LBD expressed in Escherichia coli BL21 (DE3) cells incubated for 15 mins by TR-FRET assay
50021485	5	ChEMBL_2451156	Allosteric inhibition of N-terminal his6-tagged human recombinant RORgamma LBD (261 to 518 residues) expressed in Sf9 insect cells incubated for 30 mins by fluorescence polarization assay
50021485	6	ChEMBL_2451157	Allosteric inhibition of N-terminal his6-tagged human recombinant RORgamma LBD (261 to 518 residues) expressed in Sf9 insect cells assessed as inhibition constant incubated for 30 mins by fluorescence polarization assay
50021485	7	ChEMBL_2451158	Inhibition of RORgamma LBD (unknown origin) by TR-FRET assay
50021486	1	ChEMBL_2451172	Inhibition of human DHFR
50021486	2	ChEMBL_2451173	Inhibition of Mycobacterium tuberculosis DHFR
50021486	3	ChEMBL_2451184	Inhibition of Staphylococcus aureus DHFR expressed in Escherichia coli BL21 (DE3) using DHF as substrate preincubated for 10 mins followed by substrate addition measured for 10 mins in presence of NADPH by spectrophotometry
50021486	4	ChEMBL_2451229	Binding affinity to Staphylococcus aureus DHFR expressed in Escherichia coli BL21 (DE3) assessed dissociation constant by ITC analysis
50021487	1	ChEMBL_2451239	Inhibition of human URAT1 expressed in HEK293T cells using 14C- uric acid assessed as uric acid absorption by measuring intracellular liquid radiation value by liquid scintillation counting analysis
50021487	2	ChEMBL_2451241	Inhibition of mouse EGFP-tagged GLUT9 expressed in HEK293T cells assessed as inhibition rate by measuring relative current by patch clamp electrophysiological analysis relative to control
50021489	1	ChEMBL_2451343	Binding affinity to C5aR in human whole blood assessed as dissociation constant by Schild plot analysis
50021490	1	ChEMBL_2451376	Inhibition of RET (unknown origin) by ADP-Glo assay
50021490	2	ChEMBL_2451377	Inhibition of wild type human recombinant RET expressed in baculovirus by ELISA method
50021490	3	ChEMBL_2451378	Inhibition of RET (unknown origin) by kinase assay
50021490	4	ChEMBL_2451379	Inhibition of RET (unknown origin) by kinome scan assay
50021490	5	ChEMBL_2451380	Inhibition of Hexa Histidine-tagged recombinant human RET expressed in baculovirus infected Sf9 cells measured after 1 hr by FRET assay
50021490	6	ChEMBL_2451381	Binding affinity to full length human recombinant RET assessed as inhibition constant
50021490	7	ChEMBL_2451382	Inhibition of human recombinant RET G691S mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	8	ChEMBL_2451383	Inhibition of human recombinant RET Y791F mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	9	ChEMBL_2451384	Inhibition of human recombinant RET V804L mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	10	ChEMBL_2451385	Inhibition of human recombinant RET V804M mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	11	ChEMBL_2451386	Inhibition of human recombinant RET S891A mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	12	ChEMBL_2451387	Inhibition of human recombinant RET M918T mutant using Biotin-EGPWLEEEEEAYGWMDF peptide as substrate by TR-FRET analysis
50021490	13	ChEMBL_2451388	Inhibition of RET (unknown origin)
50021490	14	ChEMBL_2451389	Inhibition of His-tagged human recombinant wild type RET M918T mutant expressed in Sf9 cells using poly(Glu, Tyr) peptide as substrate in presence of ATP preincubated fo4 30 mins followed by substrate addition and measured after 1 hr by FRET analysis
50021490	15	ChEMBL_2451390	Inhibition of wildtype RET (unknown origin)
50021490	16	ChEMBL_2451391	Inhibition of RET V804M mutant (unknown origin)
50021490	17	ChEMBL_2451396	Inhibition of CCDC6-RET (unknown origin)
50021490	18	ChEMBL_2451397	Binding affinity to human recombinant RET V804M mutant assessed as dissociation constant
50021490	19	ChEMBL_2451398	Binding affinity to human recombinant RET V804L mutant assessed as dissociation constant
50021490	20	ChEMBL_2451399	Binding affinity to wild type RET (unknown origin) assessed as dissociation constant
50021490	21	ChEMBL_2451400	Inhibition of full length His-tagged human recombinant RET expressed in baculovirus infected Sf9 cells
50021490	22	ChEMBL_2451401	Inhibition of wild type ALK (unknown origin) by enzymatic assay
50021490	23	ChEMBL_2451402	Inhibition of wild type His-tagged human RET by ADP-Glo assay
50021490	24	ChEMBL_2451403	Inhibition of RET V804M mutant (unknown origin) by DiscoverX KINOMEscan assay
50021490	25	ChEMBL_2451404	Inhibition of RET V804L mutant (unknown origin)
50021490	26	ChEMBL_2451405	Inhibition of GST-tagged wild type RET (unknown origin) expressed in Sf9 cells
50021490	27	ChEMBL_2451406	Inhibition of RET V804M mutant (unknown origin) expressed in Sf9 cells by enzymatic assay
50021490	28	ChEMBL_2451407	Inhibition of RET G810A mutant (unknown origin)
50021490	29	ChEMBL_2451408	Inhibition of RET G810D mutant (unknown origin)
50021490	30	ChEMBL_2451409	Inhibition of RET G810S mutant (unknown origin)
50021490	31	ChEMBL_2451410	Inhibition of RET G810V mutant (unknown origin)
50021490	32	ChEMBL_2451411	Inhibition of RET G810C mutant (unknown origin)
50021490	33	ChEMBL_2451412	Inhibition of RET G810R mutant (unknown origin)
50021490	34	ChEMBL_2451413	Inhibition of wild type VEGFR2 (unknown origin) expressed in baculovirus infected insect cells using biotinylated-GGGGQDGKDYIVLPI peptide as substrate incubated for 1 to 4 hrs by TRF assay
50021490	35	ChEMBL_2451414	Inhibition of RET V804M mutant (unknown origin) by KINOMEscan assay
50021490	36	ChEMBL_2451415	Inhibition of wild type human RET by KINOMEscan assay
50021491	1	ChEMBL_2451418	Binding affinity to Hepatitis C virus genotype 1 NS4B assessed as inhibition constant
50021494	1	ChEMBL_2451526	Inhibition of Escherichia coli LpxC
50021495	1	ChEMBL_2451605	Inhibition of Leishmania amazonensis Arginase expressed in Escherichia coli BL21 (DE3)
50021497	1	ChEMBL_2451615	Inhibition of C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition measured for 3.5 mins by FRET assay
50021497	2	ChEMBL_2451616	Inhibition of C-terminal 6xHis-tagged recombinant SARS-CoV-2 3CL protease expressed in Escherichia coli BL21(DE3) using Thr-Ser-Ala-Val-Leu-Gln-pNA as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by absorbance based assay
50021497	3	ChEMBL_2451618	Binding affinity to SARS-CoV-2 nsp13-associated unwinding activity expressed in Escherichia coli Rosetta using 5'-AGTCTTCTCCTGGTGCTCGAACAGTGC-Cy3-3',5'-BHQ-2-GTC ACT GTT CGA GCA CCA CCT CTT CTG A-3' DNA substrate preincubated for 10 mins followed by substrate addition measured after 15 mins
50021497	4	ChEMBL_2451627	Inhibition of recombinant human renin using Arg-Glu(EDANS)-lle-His-Pro-Phe-His-Leu-Val-lle-His-Thr-Lys(dabcyl)-Arg as substrate incubated for 5 to 10 mins by fluorescence based assay
50021497	5	ChEMBL_2451628	Inhibition of ACE (unknown origin) using Hippuryo-histidyl-leucine as substrate incubated for 40 mins by absorbance based assay
50021497	6	ChEMBL_2451630	Inhibition of SARS-CoV-2 spike-mediated pseudovirus entry infected in HEK293T cells expressing human ACE2 preincubated with cell culture for 2 hrs and further infected with pseudovirus for 2 hrs followed by replacement of fresh medium without compounds measured after 48 hrs by luciferase reporter gene assay
50021497	7	ChEMBL_2451643	Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) by ITC analysis
50021497	8	ChEMBL_2451645	Inhibition of SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using DABCYL-KTSAVLQSGFRKME-EDANS as substrate preincubated for 1 hr followed by substrate addition measured after 2.5 hrs by FRET assay
50021497	9	ChEMBL_2451646	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 5 mins followed by substrate addition measured after 10 mins by FRET assay
50021497	10	ChEMBL_2451649	Inhibition of SARS-CoV-2 PLpro using Ubiquitin-AMC as substrate by continuous kinetic assay
50021497	11	ChEMBL_2451656	Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotometry
50021497	12	ChEMBL_2451657	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 30 mins followed by substrate addition measured for 200 secs by spectrophotometry
50021497	13	ChEMBL_2451661	Inhibition of xanthine oxidase (unknown origin)
50021498	1	ChEMBL_2451869	Inhibition of recombinant Plasmodium falciparum FP2
50021498	2	ChEMBL_2451896	Inhibition of Plasmodium falciparum Plm-II using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate addition measured after 8 to 15 mins by FRET assay
50021499	1	ChEMBL_2452012	Inhibition of NLRP3 inflammasome in human MDM cells assessed as reduction in LPS/nigericin induced IL-1beta secretion preincubated with LPS for 30 mins followed by compound addition for 4 hrs prior to nigericin addition and measured after 5 hrs by ELISA
50021499	2	ChEMBL_2452014	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in LPS/ATP induced IL-1beta production preincubated with LPS for 4 hrs prior to compound addition for 30 mins followed by ATP treatment for 1 hr
50021499	3	ChEMBL_2452016	Inhibition of NLRP3 in mouse BMDMs assessed as reduction in LPS/ATP-induced IL-1beta release preincubated for 30 mins in presence of LPS followed by ATP addition and measured after 1 hr by ELISA
50021499	4	ChEMBL_2452017	Inhibition of NLRP3 in human BMDMs assessed as reduction in LPS/ATP induced IL-1beta secretion
50021499	5	ChEMBL_2452018	Inhibition of canonical NLRP3 in human MDMs
50021499	6	ChEMBL_2452019	Inhibition of noncanonical NLRP3 in human MDMs
50021499	7	ChEMBL_2452026	Inhibition of NLRP3 in human THP-1 cells assessed as reduction in caspase-1 activity
50021499	8	ChEMBL_2452027	Inhibition of NLRP3 in human BMDM cells assessed as reduction in caspase-1 activity
50021499	9	ChEMBL_2452028	Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction in LPS/ATP stimulated IL-1beta release preincubated with LPS for 4 hrs followed by compound and ATP addition for 30 mins by ELISA
50021499	10	ChEMBL_2452029	Inhibition of NLRP3 in mouse J774A.1 cells assessed as reduction in LPS/ATP stimulated IL-1beta release preincubated with LPS for 4.5 hrs followed by compound and ATP addition for 30 mins by ELISA
50021499	11	ChEMBL_2452030	Inhibition of NLRP3 in LPS/ATP induced mouse J774.A1 cells
50021499	12	ChEMBL_2452034	Covalent inhibition of NLRP3 in mouse BMDMs assessed as reduction in LPS/nigericin induced IL-1beta secretion pretreated with LPS for 3 hrs followed by compound addition for 30 mins prior to nigericin addition and measured after 30 mins by ELISA
50021499	13	ChEMBL_2452036	Inhibition of NLRP3 in mouse J774.A1 cells assessed as reduction in LPS/ATP induced IL-1beta secretion
50021499	14	ChEMBL_2452037	Inhibition of NLRP3 in LPS/ATP induced human THP1 cells
50021499	15	ChEMBL_2452038	Inhibition of NLRP3 inflammasome in mouse BMDMs assessed as reduction in IL-1beta activity preincubated with LPS for 4 hrs followed by compound addition for 30 mins prior to nigericin addition and measured after 1 hr by ELISA
50021499	16	ChEMBL_2452039	Inhibition of NLRP3 inflammasome in mouse BMDMs assessed as reduction in pyroptosis activity preincubated with LPS for 4 hrs followed by compound addition for 30 mins prior to nigericin addition and measured after 1 hr by ELISA
50021499	17	ChEMBL_2452040	Inhibition of NLRP3 inflammasome in mouse J774.A1 cells assessed as decrease in LPS/nigericin induced IL-1beta level preincubated with LPS for 4 hrs followed by compound addition for 1 hr in presence nigericin by ELISA
50021499	18	ChEMBL_2452041	Inhibition of NLRP3 inflammasome in mouse J774.A1 cells assessed as decrease in LPS/nigericin induced LDH level preincubated with LPS for 4 hrs followed by compound addition for 1 hr in presence nigericin by ELISA
50021500	1	ChEMBL_2452043	Inhibition of human recombinant MNK1 by TR-FRET assay
50021500	2	ChEMBL_2452044	Inhibition of human recombinant MNK2 by TR-FRET assay
50021500	3	ChEMBL_2452045	Inhibition of MNK1 in human A549 cells assessed as downregulation of eIF4E phosphorylation level incubated for 2 hrs by Western blotting analysis
50021500	4	ChEMBL_2452046	Inhibition of MNK1 (unknown origin) by high-throughput screening assay
50021500	5	ChEMBL_2452047	Inhibition of MNK2 (unknown origin) by high-throughput screening assay
50021500	6	ChEMBL_2452053	Inhibition of human recombinant MNK1 expressed in HEK293T cells incubated for 2 hrs in presence of ATP by ADP-Glo Kinase assay
50021500	7	ChEMBL_2452054	Inhibition of human recombinant MNK2 expressed in HEK293T cells incubated for 2 hrs in presence of ATP by ADP-Glo Kinase assay
50021500	8	ChEMBL_2452055	Inhibition of MNK1 (unknown origin)
50021500	9	ChEMBL_2452056	Inhibition of MNK2 (unknown origin)
50021500	10	ChEMBL_2452059	Inhibition of mTOR (unknown origin)
50021500	11	ChEMBL_2452061	Inhibition of PI3K p110-alpha (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	12	ChEMBL_2452062	Inhibition of PI3K p110-beta (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	13	ChEMBL_2452063	Inhibition of PI3K p110-delta (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	14	ChEMBL_2452064	Inhibition of PI3K p110-gamma (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	15	ChEMBL_2452065	Inhibition of mTORC1 (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	16	ChEMBL_2452066	Inhibition of mTORC2 (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	17	ChEMBL_2452067	Inhibition of mTOR (unknown origin) in presence of [gamma-32P]ATP by radioactivity based kinase assay
50021500	18	ChEMBL_2452068	Inhibition of N-terminal FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells incubated for 20 mins in presence of ATP by SDS-PAGE based immunoblotting analysis
50021500	19	ChEMBL_2452069	Inhibition of N-terminal FLAG-tagged mTORC2 (unknown origin) expressed in HeLa cells incubated for 20 mins in presence of ATP by SDS-PAGE based immunoblotting analysis
50021500	20	ChEMBL_2452070	Inhibition of mTORC1 (unknown origin)
50021500	21	ChEMBL_2452071	Inhibition of mTORC2 (unknown origin)
50021500	22	ChEMBL_2452091	Inhibition of mTOR (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50021500	23	ChEMBL_2452092	Inhibition of PI3Kalpha (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50021500	24	ChEMBL_2452093	Inhibition of PI3Kbeta (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50021500	25	ChEMBL_2452094	Inhibition of PI3Kgamma (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysis
50021500	26	ChEMBL_2452098	Inhibition of eIF4E/eIF4G (unknown origin) interaction by TR-FRET-based high-throughput screening analysis
50021500	27	ChEMBL_2452100	Inhibition of EIF4A1 (unknown origin) assessed as ATP hydrolysis incubated for 1 hr in presence of ATP by malachite green assay
50021500	28	ChEMBL_2452105	Inhibition of human recombinant PI3K p110-alpha incubated for 120 mins in presence of [gamma-33P]ATP by radioactivity based scintillation proximity assay
50021500	29	ChEMBL_2452106	Inhibition of human recombinant PI3K p110-beta incubated for 120 mins in presence of [gamma-33P]ATP by radioactivity based scintillation proximity assay
50021500	30	ChEMBL_2452107	Inhibition of human recombinant PI3K p110-delta incubated for 120 mins in presence of [gamma-33P]ATP by radioactivity based scintillation proximity assay
50021500	31	ChEMBL_2452108	Inhibition of human recombinant PI3K p110-gamma incubated for 120 mins in presence of [gamma-33P]ATP by radioactivity based scintillation proximity assay
50021500	32	ChEMBL_2452110	Inhibition of PI3Kalpha (unknown origin) incubated for 30 mins by fluorescence polarization assay
50021500	33	ChEMBL_2452111	Inhibition of human recombinant mTOR using GFP-4E-BP1 as substrate incubated for 30 mins by fluorescence polarization assay
50021500	34	ChEMBL_2452112	Inhibition of PI3Kalpha (unknown origin)
50021500	35	ChEMBL_2452113	Inhibition of PI3Kbeta (unknown origin)
50021500	36	ChEMBL_2452114	Inhibition of PI3Kgamma (unknown origin)
50021500	37	ChEMBL_2452115	Inhibition of PI3Kdelta (unknown origin)
50021500	38	ChEMBL_2452116	Inhibition of Flag-tagged BTK (unknown origin) expressed in HEK293T cells pre-incubated for 30 mins followed by ATP addition and measured after 20 mins by Western blotting analysis
50021500	39	ChEMBL_2452117	Inhibition of full length MNK1 (unknown origin) expressed in HEK293T cells pre-incubated for 30 mins followed by ATP addition and measured after 30 mins by Western blotting analysis
50021500	40	ChEMBL_2452118	Inhibition of full length MNK2 (unknown origin) expressed in HEK293T cells pre-incubated for 30 mins followed by ATP addition and measured after 30 mins by Western blotting analysis
50021501	1	ChEMBL_2452122	Inhibition of GSK3beta (unknown origin)
50021501	2	ChEMBL_2452124	Inhibition of tau phosphorylation (unknown origin)
50021501	3	ChEMBL_2452125	Inhibition of GSK3alpha (unknown origin)
50021501	4	ChEMBL_2452126	Inhibition of His-tagged human recombinant GSK3beta expressed in Sf9 cells using biotinylated peptide bio-LC-S-R-H-S-S-P-H-Q-pS-E-D-E-E-E-OH as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by ADP-Glo kinase assay
50021501	5	ChEMBL_2452127	Inhibition of full length GST-tagged human recombinant GSK3-alpha using FL-KRREILSRRP[ps]ERYR-NH2 as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by ADP-Glo kinase assay
50021501	6	ChEMBL_2452130	Inhibition of human recombinant GSK3alpha
50021501	7	ChEMBL_2452131	Inhibition of human recombinant GSK3beta
50021501	8	ChEMBL_2452132	Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP by radiometric scintillation counter analysis
50021501	9	ChEMBL_2452133	Inhibition of CDK2/Cyclin E (unknown origin)
50021501	10	ChEMBL_2452134	Inhibition of CDK5/p25 (unknown origin)
50021501	11	ChEMBL_2452135	Inhibition of CDK2/Cyclin E (unknown origin) expressed in Sf9 insect cells using histone H1 and ATP as substrate in presence of as substrate by radiometric assay
50021501	12	ChEMBL_2452136	Inhibition of CDK9/cyclin T1 (unknown origin)
50021501	13	ChEMBL_2452138	Inhibition of GSK3beta (unknown origin) assessed as fluorescence intensity by ADP-Glo kinase assay
50021501	14	ChEMBL_2452140	Inhibition of Amyloid-beta (unknown origin) (1 to 42 residues)
50021501	15	ChEMBL_2452143	Inhibition of human recombinant ERK1
50021501	16	ChEMBL_2452144	Inhibition of human recombinant ERK2
50021501	17	ChEMBL_2452145	Binding affinity to human recombinant ERK2 assessed as inhibition constant
50021501	18	ChEMBL_2452146	Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lanthascreen TR-FRET assay
50021501	19	ChEMBL_2452147	Inhibition of JNK3 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using ATF2 as substrate in presence of ATP by HTRF assay
50021501	20	ChEMBL_2452148	Inhibition of JNK2 (unknown origin) by discoverX kinomescan assay
50021501	21	ChEMBL_2452149	Binding affinity to JNK3 (unknown origin) assessed as dissociation constant by HotSpot assay
50021501	22	ChEMBL_2452150	Inhibition of JNK2 (unknown origin) by HotSpot assay
50021501	23	ChEMBL_2452151	Inhibition of JNK1 (unknown origin) by HotSpot assay
50021501	24	ChEMBL_2452152	Inhibition of JNK3 (unknown origin)
50021501	25	ChEMBL_2452153	Inhibition of JNK1 (unknown origin) by kinase profiling assay
50021501	26	ChEMBL_2452154	Inhibition of JNK2 (unknown origin) by kinase profiling assay
50021501	27	ChEMBL_2452155	Inhibition of JNK3 (unknown origin) by kinase profiling assay
50021502	1	ChEMBL_2452352	Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate incubated for 30 mins by microplate reader analysis
50021502	2	ChEMBL_2452358	Reversible inhibition of MAGL in human U-937 cells using 2-oleoylglycerol as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 5 mins
50021503	1	ChEMBL_2452386	Binding affinity to recombinant full-length human IGF2BP1 by MST assay
50021503	2	ChEMBL_2452392	Binding affinity to recombinant full-length human IGF2BP1 KH34 domain by MST assay
50021504	1	ChEMBL_2452413	Inhibition of recombinant human ATXbeta using LPC18:1 as substrate measured every 60 sec for 50 mins by choline release assay
50021504	2	ChEMBL_2452414	Inhibition of recombinant human ATXbeta using LPC16:0 as substrate measured every 60 sec for 50 mins by choline release assay
50021504	3	ChEMBL_2452415	Inhibition of recombinant human ATXgamma using LPC18:1 as substrate measured every 60 sec for 50 mins by choline release assay
50021504	4	ChEMBL_2452416	Inhibition of recombinant human ATXgamma using LPC16:0 as substrate measured every 60 sec for 50 mins by choline release assay
50021504	5	ChEMBL_2452423	Non competitive inhibition of human ATXbeta using LPC18:1 as substrate
50021504	6	ChEMBL_2452428	Inhibition of ATX (unknown origin)
50021505	1	ChEMBL_2452462	Inhibition of Bcr-Abl (unknown origin)
50021505	2	ChEMBL_2452463	Inhibition of BTK (unknown origin)
50021505	3	ChEMBL_2452464	Inhibition of JAK1 (unknown origin)
50021505	4	ChEMBL_2452465	Inhibition of JAK2 (unknown origin)
50021505	5	ChEMBL_2452466	Inhibition of JAK3 (unknown origin)
50021505	6	ChEMBL_2452467	Inhibition of HDAC1 (unknown origin)
50021505	7	ChEMBL_2452468	Inhibition of HDAC6 (unknown origin)
50021505	8	ChEMBL_2452469	Inhibition of HDAC1 (unknown origin) by Color-de-Lys assay
50021505	9	ChEMBL_2452470	Inhibition of HDAC6 (unknown origin) by Color-de-Lys assay
50021505	10	ChEMBL_2452471	Inhibition of N-terminal GST-tagged recombinant full-length human PI3K-alpha expressed in baculovirus infected Sf9 cells by ADP-Glo assay
50021505	11	ChEMBL_2452472	Inhibition of N-terminal GST-tagged recombinant full-length human PI3K-gamma expressed in baculovirus infected Sf9 cells by ADP-Glo assay
50021505	12	ChEMBL_2452487	Inhibition of full-length recombinant human HDAC1 expressed in baculovirus infected Sf9 cells using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50021505	13	ChEMBL_2452504	Inhibition of full-length recombinant human HDAC6 expressed in baculovirus infected Sf9 cells using RHKK(Ac)AMC as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50021505	14	ChEMBL_2452506	Inhibition of JAK2 (unknown origin) preincubated for 30 mins followed by ATP addition measured after 30 mins by HTRF assay
50021505	15	ChEMBL_2452507	Inhibition of recombinant human JAK3 (781 to 1124 residues) in presence of ATP by ELISA
50021506	1	ChEMBL_2452588	Inhibition of N-terminal GST-tagged LSD1 (171 to 852 residues) (unknown origin) expressed in Escherichia coli FLAG-tagged CoREST1 (unknown origin) transfected in HEK293F cells assessed as inhibition of horseradish peroxidase preincubated for 5 mins and measured after 5 mins by fluorescence based analysis
50021506	2	ChEMBL_2452589	Inhibition of BRD4 (unknown origin) by TR-FRET assay
50021506	3	ChEMBL_2452590	Inhibition of HDAC (unknown origin)
50021506	4	ChEMBL_2452592	Inhibition of human recombinant HDAC in HeLa cells using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021506	5	ChEMBL_2452593	Inhibition of human recombinant HDAC1 in HeLa cells using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021506	6	ChEMBL_2452594	Inhibition of human recombinant HDAC2 in HeLa cells using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021506	7	ChEMBL_2452595	Inhibition of human recombinant HDAC3 in HeLa cells using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021506	8	ChEMBL_2452596	Inhibition of human recombinant HDAC6 in HeLa cells using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as fluorogenic substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021506	9	ChEMBL_2452599	Inhibition of recombinant BRD2 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50021506	10	ChEMBL_2452600	Inhibition of BRD2 BD2 (unknown origin) incubated for 180 min by TR-FRET assay
50021506	11	ChEMBL_2452601	Inhibition of recombinant BRD3 BD1 (unknown origin) incubated for 120 mins by TR-FRET assay
50021506	12	ChEMBL_2452602	Inhibition of BRD3 BD2 (unknown origin) incubated for 180 min by TR-FRET assay
50021506	13	ChEMBL_2452603	Inhibition of BRD4 BD1 (unknown origin) incubated for 15 mins by TR-FRET method
50021506	14	ChEMBL_2452604	Inhibition of BRDT BD2 (unknown origin) by TR-FRET assay
50021506	15	ChEMBL_2452605	Inhibition of HDAC1 (unknown origin) by fluorescence based analysis
50021506	16	ChEMBL_2452606	Inhibition of HDAC2 (unknown origin) by fluorescence based analysis
50021506	17	ChEMBL_2452607	Inhibition of HDAC3 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021506	18	ChEMBL_2452608	Inhibition of HDAC6 (unknown origin) by fluorescence based assay
50021506	19	ChEMBL_2452609	Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assay
50021506	20	ChEMBL_2452611	Inhibition of HDAC1 (unknown origin)
50021506	21	ChEMBL_2452612	Inhibition of HDAC2 (unknown origin)
50021506	22	ChEMBL_2452613	Inhibition of HDAC3 (unknown origin)
50021506	23	ChEMBL_2452614	Inhibition of HDAC4 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021506	24	ChEMBL_2452615	Inhibition of HDAC5 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021506	25	ChEMBL_2452616	Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021506	26	ChEMBL_2452621	Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate incubated for 1 hr by fluorescence based analysis
50021506	27	ChEMBL_2452622	Inhibition of HDAC6 (unknown origin) using expressed in Sf9 cells using Boc-Lys(acetyI)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by fluorescence based analysis
50021506	28	ChEMBL_2452624	Inhibition of DNMT1 (unknown origin)
50021506	29	ChEMBL_2452625	Inhibition of DNMT3A/DNMT3L (unknown origin)
50021506	30	ChEMBL_2452626	Inhibition of DNMT3B/3L (unknown origin)
50021506	31	ChEMBL_2452627	Inhibition of HDAC1 (unknown origin) using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50021506	32	ChEMBL_2452628	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF analysis
50021506	33	ChEMBL_2452632	Inhibition of G9a (unknown origin)
50021506	34	ChEMBL_2452645	Inhibition of LSD1 (unknown origin)
50021506	35	ChEMBL_2452646	Inhibition of MAO-A (unknown origin)
50021506	36	ChEMBL_2452647	Inhibition of MAO-B (unknown origin)
50021507	1	ChEMBL_2452675	Inhibition of BRD4 BD1 (unknown origin) by HTRF assay
50021507	2	ChEMBL_2452676	Inhibition of BRD4 BD2 (unknown origin) by HTRF assay
50021507	3	ChEMBL_2452779	Inhibition of BDR4 BD1 (unknown origin)
50021507	4	ChEMBL_2452780	Inhibition of human BRD3 BD2 using biotinylated histone peptide H4 as substrate by AlphaScreen assay
50021507	5	ChEMBL_2452781	Inhibition of BDR4 (unknown origin)
50021507	6	ChEMBL_2452782	Inhibition of BRD4 BD1 (unknown origin) using biotinylated histone peptide H4 as substrate by AlphaScreen assay
50021508	1	ChEMBL_2452832	Binding affinity to HDAC1 (unknown origin)
50021508	2	ChEMBL_2452839	Inhibition of HDAC1 (unknown origin) using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	3	ChEMBL_2452840	Inhibition of HDAC2 in human HeLa cells nuclear extract using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	4	ChEMBL_2452841	Inhibition of HDAC4 in human HeLa cells nuclear extract using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	5	ChEMBL_2452842	Inhibition of HDAC7 in human HeLa cells nuclear extract using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	6	ChEMBL_2452843	Inhibition of HDAC9 in human HeLa cells nuclear extract using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	7	ChEMBL_2452844	Inhibition of HDAC6 (unknown origin) using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021508	8	ChEMBL_2452845	Inhibition of HDAC11 in human HeLa cells nuclear extract using BocLys(acetyl)-AMC as substrate incubated for 1 hr by fluorescence plate reader analysis
50021509	1	ChEMBL_2452867	Inhibition of human His-tagged CDK7/cyclin H/MNAT1 expressed in baculovirus infected insect cells preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo kinase assay
50021509	2	ChEMBL_2452877	Inhibition of MAP2K5 (unknown origin) by discoverX kinomescan assay
50021510	1	ChEMBL_2452954	Inhibition of human TERT
50021513	1	ChEMBL_2453037	Binding affinity to his-tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as substrate hydrolysis by measuring inhibition constant using imipenem as substrate by Michaelis-menten equation based analysis
50021513	2	ChEMBL_2453039	Binding affinity to his-tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as substrate hydrolysis by measuring inhibition constant using imipenem as substrate in presence of 1 uM of Zinc by Michaelis-menten equation based analysis
50021513	3	ChEMBL_2453040	Binding affinity to his-tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as substrate hydrolysis by measuring inhibition constant using imipenem as substrate in presence of 10 uM of Zinc by Michaelis-menten equation based analysis
50021516	1	ChEMBL_2453047	Binding affinity to PIKfyve (unknown origin) assessed as dissociation constant by KINOMEscan profiling method
50021516	2	ChEMBL_2453048	Binding affinity to recombinant PIKfyve (unknown origin) assessed as dissociation constant
50021516	3	ChEMBL_2453049	Inhibition of PIKfyve (unknown origin) in presence of ATP
50021516	4	ChEMBL_2453058	Binding affinity to PIKfyve (unknown origin) assessed as dissociation constant incubated for 1 hr by qPCR analysis
50021516	5	ChEMBL_2453059	Inhibition of RIPK2 (unknown origin)
50021517	1	ChEMBL_2453120	Inhibition of human DNA-PK incubated for 30 mins in presence of Mg/ATP by HTRF method
50021518	1	ChEMBL_2453342	Binding affinity to MST3 (unknown origin) assessed as dissociation constant
50021518	2	ChEMBL_2453343	Binding affinity to MST4 (unknown origin) assessed as dissociation constant
50021518	3	ChEMBL_2453349	Binding affinity to N-terminal 6His-tagged TEV fused MST4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by ITC analysis
50021518	4	ChEMBL_2453350	Binding affinity to N-terminal full length human MST1 expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	5	ChEMBL_2453351	Binding affinity to N-terminal full length human MST2 expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	6	ChEMBL_2453352	Binding affinity to C-terminal full length human MST3 expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	7	ChEMBL_2453353	Binding affinity to C-terminal full length human MST4 expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	8	ChEMBL_2453354	Binding affinity to C-terminal full length human MST3 expressed in permeabilized HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	9	ChEMBL_2453355	Binding affinity to C-terminal full length human MST4 expressed in permeabilized HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	10	ChEMBL_2453362	Binding affinity to LIMK1 (unknown origin) expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	11	ChEMBL_2453363	Binding affinity to LIMK1 (unknown origin) expressed in permeabilized HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	12	ChEMBL_2453364	Binding affinity to LIMK2 (unknown origin) expressed in intact HEK293T cells incubated for 2 hrs by NanoBRET assay
50021518	13	ChEMBL_2453365	Binding affinity to LIMK2 (unknown origin) expressed in permeabilized HEK293T cells incubated for 2 hrs by NanoBRET assay
50021519	1	ChEMBL_2453378	Antagonist activity at AR in human LNCaP cells assessed as reduction in R1881-induced AR transcriptional activity preincubated for 60 mins followed by R1881 addition and measured after 24 hrs by Steady-Glo reagent based luciferase assay
50021519	2	ChEMBL_2453389	Antagonist activity at ERalpha in HEK293T cells assessed as reduction in transcriptional activity incubated for 24 hrs by britelite plus reagent based plate reader assay
50021519	3	ChEMBL_2453390	Antagonist activity at PR in HEK293T cells assessed as reduction in transcriptional activity incubated for 24 hrs by britelite plus reagent based plate reader assay
50021519	4	ChEMBL_2453391	Antagonist activity at TRbeta in HEK293T cells assessed as reduction in transcriptional activity incubated for 24 hrs by britelite plus reagent based plate reader assay
50021519	5	ChEMBL_2453393	Displacement of fluormone AL green from AR-LBD (unknown origin) incubated for 3 hrs by PolarScreen assay
50021521	1	ChEMBL_2453436	Inhibition of wild type EGFR (unknown origin) preincubated for 5 mins followed by substrate and ATP addition and further incubated for 30 mins by HTRF assay
50021521	2	ChEMBL_2453437	Binding affinity to wild type GST-tagged EGFR (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50021521	3	ChEMBL_2453440	Binding affinity to EGFR L858R mutant (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50021521	4	ChEMBL_2453442	Binding affinity to EGFR L858R/T790M double mutant (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50021521	5	ChEMBL_2453445	Binding affinity to His-tagged recombinant EGFR (unknown origin) expressed in Baculovirus insect cells assessed as apparent inhibition constant
50021521	6	ChEMBL_2453447	Binding affinity to His-tagged recombinant EGFR L858R mutant (unknown origin) expressed in Baculovirus insect cells assessed as apparent inhibition constant
50021521	7	ChEMBL_2453449	Binding affinity to His-tagged recombinant EGFR L858R/T790M double mutant (unknown origin) expressed in Baculovirus insect cells assessed as apparent inhibition constant
50021522	1	ChEMBL_2453468	Inhibition of Wee1 (unknown origin)
50021522	2	ChEMBL_2453469	Inhibition of MYT1 (unknown origin)
50021522	3	ChEMBL_2453470	Inhibition of human recombinant MYT1 incubated for 60 mins in presence of tracer178 by HTRF analysis
50021522	4	ChEMBL_2453471	Inhibition of human recombinant Wee1 preincubated with compound for for 15 mins followed by ATP addition and measured after 60 mins by ADP Glo luminescent assay
50021522	5	ChEMBL_2453472	Inhibition of CDK1 phosphorylation at Thr14 residue in human HCC1569 cells incubated for 6 hrs by Western blot analysis
50021523	1	ChEMBL_2453554	Inhibition of human KV2.1 stably expressed in HEK293 cells by whole cell patch-clamp assay
50021523	2	ChEMBL_2453556	Inhibition of KV1.5 (unknown origin) by whole cell patch-clamp assay
50021523	3	ChEMBL_2453557	Inhibition of KV3.1 (unknown origin) by whole cell patch-clamp assay
50021523	4	ChEMBL_2453559	Inhibition of TREK-1 (unknown origin) by whole cell patch-clamp assay
50021524	1	ChEMBL_2453619	Inhibition of NLRP3 inflammasome activation in LPS treated mouse J774.A1 cells assessed as inhibition of ATP-stimulated IL-1beta secretion pre-incubated for 30 mins followed by ATP addition measured after 30 mins by ELISA
50021524	2	ChEMBL_2453625	Binding affinity to full-length human recombinant NLRP3 assessed as dissociation constant incubated for 30 mins by microscale thermophoresis assay
50021524	3	ChEMBL_2453629	Binding affinity to full-length mouse recombinant NLRP3 assessed as dissociation constant by fluorescence spectrophotometric analysis
50021525	1	ChEMBL_2453667	Inhibition of epibatidine-induced receptor activation at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as reduction in calcium flux preincubated for 10 mins followed by epibatidine addition by FLIPR assay
50021525	2	ChEMBL_2453670	Noncompetitive inhibition of epibatidine-induced receptor activation at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as reduction in calcium flux by measuring increase in EC50 pretreated with compound for 10 mins followed by epibatidine addition and measured for 90 secs by FLIPR assay (Rvb = 320 nM)
50021525	3	ChEMBL_2453674	Antagonist activity at human alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine induced calcium flux preincubated for 10 mins followed by nicotine addition and measured for 5 mins by FLIPR assay
50021525	4	ChEMBL_2453675	Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of nicotine induced calcium flux preincubated for 10 mins followed by nicotine addition and measured for 5 mins by FLIPR assay
50021525	5	ChEMBL_2453676	Antagonist activity at human alpha7 nAChR expressed in HEK293 cells assessed as inhibition of nicotine induced calcium flux preincubated for 10 mins followed by nicotine addition and measured for 5 mins by FLIPR assay
50021525	6	ChEMBL_2453681	Displacement of [3H]-epibatidine from alpha2A receptor (unknown origin)
50021525	7	ChEMBL_2453682	Displacement of [3H]-epibatidine from alpha2C receptor (unknown origin)
50021525	8	ChEMBL_2453683	Displacement of [3H]-epibatidine from sigma1 receptor (unknown origin)
50021525	9	ChEMBL_2453684	Displacement of [3H]-epibatidine from sigma2 receptor (unknown origin)
50021525	10	ChEMBL_2453685	Displacement of [3H]-epibatidine from dopamine D2 receptor (unknown origin)
50021525	11	ChEMBL_2453686	Displacement of [3H]-epibatidine from dopamine D3 receptor (unknown origin)
50021525	12	ChEMBL_2453687	Displacement of [3H]-epibatidine from dopamine D4 receptor (unknown origin)
50021525	13	ChEMBL_2453688	Displacement of [3H]-epibatidine from M2 receptor (unknown origin)
50021525	14	ChEMBL_2453689	Displacement of [3H]-epibatidine from M4 receptor (unknown origin)
50021525	15	ChEMBL_2453691	Displacement of [3H]-epibatidine from dopamine transporter (unknown origin)
50021525	16	ChEMBL_2453693	Displacement of [3H]-epibatidine from human alpha3beta4 nAChR
50021525	17	ChEMBL_2453694	Displacement of [3H]-epibatidine from human alpha2beta4 nAChR
50021526	1	ChEMBL_2453714	Inhibition of PDE4B (unknown origin) using FAM-cyclic-3',5'-AMP as substrate incubated for 1 hrs by fluorescence polarization based IMAP assay
50021526	2	ChEMBL_2453715	Inhibition of PDE4D (unknown origin) using FAM-cyclic-3',5'-AMP as substrate incubated for 1 hrs by fluorescence polarization based IMAP assay
50021526	3	ChEMBL_2453718	Inhibition of PDE4B1 (unknown origin) using FAM-cyclic-3',5'-AMP as substrate incubated for 1 hrs by fluorescence polarization based IMAP assay
50021526	4	ChEMBL_2453719	Inhibition of PDE4D7 (unknown origin) using FAM-cyclic-3',5'-AMP as substrate incubated for 1 hrs by fluorescence polarization based IMAP assay
50021527	1	ChEMBL_2453815	Displacement of [3H]-DAMGO from Sprague-Dawley rat brain membrane MOR assessed as inhibition constant by liquid scintillation counting method
50021527	2	ChEMBL_2453816	Displacement of [35S]GTP-gammaS from recombinant human MOR transfected in CHO cell membrane incubated for 60 mins by liquid scintillation counting method
50021527	3	ChEMBL_2453819	Displacement of [35S]GTP-gammaS from human MOR transfected in CHO cell membrane preincubated for 30 mins followed by radioligand addition measured after 30 mins by liquid scintillation counting method
50021527	4	ChEMBL_2453821	Binding affinity to MOR (unknown origin) assessed as inhibition constant
50021527	5	ChEMBL_2453822	Displacement of [35S]GTP-gammaS from MOR (unknown origin)
50021527	6	ChEMBL_2453824	Displacement of [3H]-DAMGO from MOR (unknown origin) assessed as inhibition constant incubated for 60 mins by scintillation counting method
50021527	7	ChEMBL_2453825	Displacement of [35S]GTP-gammaS from MOR (unknown origin) incubated for 60 mins by scintillation counting method
50021527	8	ChEMBL_2453827	Displacement of [3H]Naloxone from MOR (unknown origin) expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by scintillation counter method
50021527	9	ChEMBL_2453828	Displacement of [3H]norBNI from KOR (unknown origin) expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by scintillation counter method
50021527	10	ChEMBL_2453829	Displacement of [3H]NTI from DOR (unknown origin) expressed in CHO cell membrane assessed as inhibition constant incubated for 1.5 hrs by scintillation counter method
50021527	11	ChEMBL_2453832	Displacement of [35S]GTP-gammaS from MOR (unknown origin) expressed in CHO cell membrane incubated for 1.5 hrs by scintillation counter method
50021527	12	ChEMBL_2453843	Binding affinity to recombinant human alpha-1A-Adr expressed in HEK cells assessed as inhibition constant
50021527	13	ChEMBL_2453844	Binding affinity to recombinant human alpha-1B-Adr expressed in HEK cells assessed as inhibition constant
50021527	14	ChEMBL_2453847	Binding affinity to alpha-1A-Adr (unknown origin) assessed as inhibition constant
50021527	15	ChEMBL_2453848	Binding affinity to alpha-1B-Adr (unknown origin) assessed as inhibition constant
50021528	1	ChEMBL_2453851	Inhibition of human RIPK1 (1 to 294 residues) preincubated for 15 mins followed by [gamma-33P]ATP addition and measured after 40 mins by scintillation counting analysis
50021528	2	ChEMBL_2453899	Inhibition of RIPK2 (unknown origin)
50021528	3	ChEMBL_2453900	Inhibition of RIPK3 (unknown origin)
50021528	4	ChEMBL_2453901	Inhibition of RIPK4 (unknown origin)
50021529	1	ChEMBL_2453902	Inhibition of PIM1 (unknown origin)
50021529	2	ChEMBL_2453903	Inhibition of PIM2 (unknown origin)
50021529	3	ChEMBL_2453904	Inhibition of PIM3 (unknown origin)
50021529	4	ChEMBL_2453908	Inhibition of human PIM1 by discoverX kinome scan assay
50021529	5	ChEMBL_2453913	Inhibition of human PIM1 by ADP Glo luminescent assay
50021529	6	ChEMBL_2453914	Inhibition of human PIM2 by ADP-Glo luminescent assay
50021529	7	ChEMBL_2453917	Inhibition of human PIM1 using KKRNRTLTK as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay
50021529	8	ChEMBL_2453918	Inhibition of PIM1 (unknown origin) by FRET based Z-LYTE kinase assay
50021529	9	ChEMBL_2453919	Inhibition of PIM2 (unknown origin) by FRET based Z-LYTE kinase assay
50021529	10	ChEMBL_2453920	Inhibition of PIM3 (unknown origin) by FRET based Z-LYTE kinase assay
50021529	11	ChEMBL_2453922	Inhibition of FLT3 (unknown origin) by enzymatic assay
50021529	12	ChEMBL_2453923	Binding affinity to PIM1 (unknown origin) assessed as inhibition constant
50021529	13	ChEMBL_2453924	Inhibition of N-terminal GST-tagged full length human PIM2 (1 to 311 residues) expressed in baculovirus expression system using S6K2 peptide as substrate at 1 uM in presence of ATP by Mobility shift assay
50021529	14	ChEMBL_2453925	Binding affinity to PIM2 (unknown origin) assessed as inhibition constant
50021529	15	ChEMBL_2453927	Inhibition of mTOR (unknown origin)
50021529	16	ChEMBL_2453928	Inhibition of CLK1 (unknown origin) using GRSRSRSRSRSRSRS as substrate incubated for 15 mins in presence of ATP by gamma32P-ATP based analysis
50021529	17	ChEMBL_2453929	Inhibition of human recombinant PIM1
50021529	18	ChEMBL_2453930	Inhibition of 5-LOX in human PMNL cells
50021529	19	ChEMBL_2453931	Inhibition of COX1 (unknown origin) fluorescence based analysis
50021529	20	ChEMBL_2453932	Inhibition of COX2 (unknown origin) fluorescence based analysis
50021529	21	ChEMBL_2453933	Inhibition of human full length-His6 tagged PIM1 (1 to 312 residues) expressed in Escherichia coli BL21 (DE3) using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50021529	22	ChEMBL_2453934	Inhibition of human full length-His6 tagged PIM2 (1 to 311 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50021529	23	ChEMBL_2453935	Inhibition of N-terminal GST-tagged full length human PIM3 (1 to 326 residues) expressed in baculovirus expression system using S6K2 peptide as substrate at 1 uM in presence of ATP by Mobility shift assay
50021529	24	ChEMBL_2453936	Inhibition of FLT3 (unknown origin)
50021530	1	ChEMBL_2453937	Displacement of [3H]vasopressin from human V1A receptor assessed as inhibition constant by Cheng-Prusoff equation analysis
50021530	2	ChEMBL_2453947	Displacement of [3H]AVP from human Vasopressin V2 receptor assessed as inhibition constant by Cheng-Prusoff equation analysis
50021530	3	ChEMBL_2453983	Displacement of [3H]AVP from human Vasopressin V2 receptor assessed as dissociation constant by Cheng-Prusoff equation analysis
50021530	4	ChEMBL_2453985	Binding affinity to human Oxytocin receptor assessed as inhibition constant
50021531	1	ChEMBL_2454016	Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methione as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins in presence of ATP by Kinase-Glo luminescent assay
50021531	2	ChEMBL_2454025	Induction of MAT2A degradation in human HCT-116 cells preincubated for 4 hrs followed by 1.0 MHz, 0.8W/cm2 ultrasound treatment for 0.5 mins by Western blotting assay
50021532	1	ChEMBL_2454243	Inhibition of PD-1/PD-L1 (unknown origin) protein protein interaction
50021532	2	ChEMBL_2454244	Inhibition of SARS-CoV2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate by fluorescence based analysis
50021532	3	ChEMBL_2454245	Inhibition of human cathepsin L
50021532	4	ChEMBL_2454246	Inhibition of human thrombin
50021533	1	ChEMBL_2454263	Inhibition of bovine liver arginase 1 using L-arginine as substrate incubated for 60 mins by OPA-p colorimetric assay
50021534	1	ChEMBL_2454270	Inhibition of human BChE using butyrylthiocholine iodide as substrate incubated for 1 mins by spectrophotometric Ellman's method
50021534	2	ChEMBL_2454272	Reversible binding affinity to human BChE using butyrylthiocholine iodide as substrate assessed as enzyme-inhibitor dissociation constant preincubated for 5 min followed by substrate addition and measured after 1 min by Lineweaver-Burk plot analysis
50021534	3	ChEMBL_2454273	Reversible binding affinity to human BChE using butyrylthiocholine iodide as substrate assessed as enzyme-substrate-inhibitor dissociation constant preincubated for 5 min followed by substrate addition and measured after 1 min by Lineweaver-Burk plot analysis
50021534	4	ChEMBL_2454278	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 1 mins by spectrophotometric Ellman's method
50021534	5	ChEMBL_2454279	Inhibition of human plasma BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's method
50021535	1	ChEMBL_2454281	Inhibition of DRA (unknown origin) expressed in FRT cells coexpressing iodide-sensitive YFP assessed as reduction in iodine flux measured after 10 mins by fluorescence based assay
50021535	2	ChEMBL_2454282	Inhibition of DRA (unknown origin)
50021536	1	ChEMBL_2454382	Agonist activity at STING in wildtype human THP1-Dual cells assessed as IRF activation incubated for 24 hrs by QUANTI-Luc reagent based luminescence assay
50021536	2	ChEMBL_2454383	Agonist activity at STING in human THP1-Dual KI-hSTING-R232 cells assessed as IRF activation incubated for 24 hrs by QUANTI-Luc reagent based luminescence assay
50021536	3	ChEMBL_2454385	Displacement of 2'-Fluo-AHC-c-di-GMP from wildtype human STING expressed in Escherichia coli BL21 (DE3) incubated for 5 mins by fluorescence polarization assay
50021537	1	ChEMBL_2454393	Inhibition of recombinant full length his tagged PI4KB (unknown origin) incubated for 10 mins in presence of ATP by ADP-glo kinase assay
50021537	2	ChEMBL_2454433	Inhibition of PI4KB (unknown origin)
50021538	1	ChEMBL_2454485	Inhibition of recombinant PKM2 (unknown origin)
50021538	2	ChEMBL_2454504	Inhibition of full length human PDE10A incubated for 1 hr by topcount Scintillation plate reader analysis
50021542	1	ChEMBL_2454639	Inhibition of Haemophilus influenzae recombinant DXPS
50021542	2	ChEMBL_2454641	Inhibition of his-tagged recombinant Escherichia coli W3110 DXPS
50021542	3	ChEMBL_2454652	Inhibition of Escherichia coli DXPS assessed as inhibition constant in presence of pyruvate
50021542	4	ChEMBL_2454653	Inhibition of Escherichia coli DXPS assessed as inhibition constant in presence of GAP
50021542	5	ChEMBL_2454654	Uncompetitive inhibition of Escherichia coli DXPS assessed as inhibition constant in presence of fixed concentration of GAP and varying concentration of pyruvate by Lineweaver-burk plot analysis
50021542	6	ChEMBL_2454655	Uncompetitive inhibition of Escherichia coli DXPS assessed as inhibition constant in presence of fixed concentration of pyruvate and varying concentration of GAP by Lineweaver-burk plot analysis
50021542	7	ChEMBL_2454656	Mixed non-competitive inhibition of Escherichia coli DXPS assessed as inhibition constant in presence of fixed concentration of pyruvate and varying concentration of GAP by Lineweaver-burk plot analysis
50021545	1	ChEMBL_2454666	Inhibition of VEGFR2 (unknown origin) using PTK as substrate incubated for 45 mins presence of ATP by kinase glo assay
50021545	2	ChEMBL_2454669	Inhibition of human EGFR using TMB as substrate preincubated with compound for 1 hr followed by substrate addition and measured after 30 mins by ELISA analysis
50021546	1	ChEMBL_2454782	Inhibition of G9a (685 to 1000 residues ) (unknown origin) expressed in Escherichia coli BL21 using H3(1 to 20)cys as substrate by spectrometry based analysis
50021546	2	ChEMBL_2454783	Inhibition of GLP (610 to 917 residues ) (unknown origin) expressed in Escherichia coli BL21 using H3(1 to 20)cys as substrate by spectrometry based analysis
50021546	3	ChEMBL_2454784	Inhibition of G9a (unknown origin) using H3(1 to 25) as peptide substrate measured after 20 mins by fluorescence based analysis
50021546	4	ChEMBL_2454786	Binding affinity to G9a (unknown origin) assessed as inhibition constant measured after 20 mins by fluorescence based analysis
50021546	5	ChEMBL_2454787	Inhibition of G9a (unknown origin) using H3(1 to 25) as peptide substrate and SAM as cosubstrate measured after 20 mins by fluorescence based analysis
50021546	6	ChEMBL_2454788	Inhibition of GLP (unknown origin) using H3(1 to 25) as peptide substrate and SAM as cosubstrate measured after 20 mins by fluorescence based analysis
50021546	7	ChEMBL_2454791	Binding affinity to SETDB1 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
50021546	8	ChEMBL_2454792	Inhibition of SETDB1 (unknown origin) using histone H3 as substrate measured after 1.5 hrs by SpectraMax microplate reader analysis
50021546	9	ChEMBL_2454793	Binding affinity N-terminal his tagged wild type human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021546	10	ChEMBL_2454795	Inhibition of GST tagged human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of H3K9me2 measured after 1 hr by HTRF assay
50021546	11	ChEMBL_2454796	Inhibition of GST tagged human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of H3K9me3 measured after 1 hr by HTRF assay
50021546	12	ChEMBL_2454797	Inhibition of GLP (610 to 917 residues ) (unknown origin) expressed in Escherichia coli BL21 using H3(1 to 20)cys as substrate and SAM as cosubstrate by spectrometry based analysis
50021546	13	ChEMBL_2454798	Inhibition of SUV39H1 (unknown origin)
50021547	1	ChEMBL_2454890	Inhibition of N-terminal His6-tagged recombinant human Bfl-1 (1 to 151 residues) expressed in Escherichia coli BL21-Gold (DE3) using HyLite Fluor 647-labeled BIM peptide as substrate incubated for 120 mins by TR-FRET assay
50021547	2	ChEMBL_2454891	Inhibition of Mcl-1 (unknown origin) incubated for 120 mins by TR-FRET assay
50021547	3	ChEMBL_2454892	Inhibition of Bcl-2 (unknown origin) incubated for 120 mins by TR-FRET assay
50021547	4	ChEMBL_2454893	Inhibition of Bcl-xl (unknown origin) incubated for 120 mins by TR-FRET assay
50021547	5	ChEMBL_2454894	Binding affinity of N-terminal His6-tagged recombinant human Bfl-1 (1 to 151 residues) expressed in Escherichia coli BL21-Gold (DE3) assessed as inhibition constant by MS analysis
50021548	1	ChEMBL_2454898	Inhibition of recombinant VEGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate measured after 45 mins in presence of ATP by microplate reader analysis
50021548	2	ChEMBL_2454909	Inhibition of recombinant human VEGFR-2 using poly (Glu,Tyr) 4:1 as substrate in presence of ATP
50021549	1	ChEMBL_2455053	Inhibition of N-terminal FLAG-tagged full-length recombinant human MASTL expressed in baculovirus infected insect cells using AQT0693 as substrate incubated for 120 mins in presence of ATP by fluorescence based assay
50021550	1	ChEMBL_2455056	Inhibition of ERK5 in human SN12C cells assessed as luciferase activity by Bright-Glo luminescence assay
50021551	1	ChEMBL_2455057	Inhibition of SARS-CoV-2 MPro preincubated for 30 mins followed by substrate addition by fluorescence based assay
50021551	2	ChEMBL_2455058	Inhibition of SARS-CoV-2 MPro transfected in HEK293T/17 cells co-expressing GFP incubated for 3 days by flow cytometry
50021553	1	ChEMBL_2455063	Inhibition of human MALT-1 protease activity using TAMRA-PEG2-Leu-Val-Ser-Arg-Gly-Ala-Ala-Ser-PEG2-K(QSY7) preincubated for 40 mins followed by substrate addition and measured after 60 mins by Quench-FRET assay
50021554	1	ChEMBL_2455067	Inhibition of interaction of human PD-1 expressed in Jurkat T cells co-transfected with NFAT response element/human PD-L1 expressed in CHO-K1 cells co-expressing cell surface protein and TCR ligand preincubated with CHO-K1 cells followed by Jurkat cell addition and measured after 6 hrs by Bio-Glo reagent based luminescence microplate reader analysis
50021554	2	ChEMBL_2455069	Inhibition of interaction of PD-1 (unknown origin) expressed in Jurkat T cells co-transfected with NFAT response element/PD-L1 (unknown origin) expressed in CHO-K1 cells by reporter bioassay
50021557	1	ChEMBL_2455073	Inhibition of CD73 in human MDA-MB-231 cells preincubated for 30 mins followed by AMP addition and measured after 45 mins by plate reader analysis
50021558	1	ChEMBL_2455075	Inhibition of Cathepsin S (unknown origin)
50021558	2	ChEMBL_2455077	Inhibition of recombinant Cathepsin S (unknown origin) expressed in Escherichia coli using Z-Val-Val-Arg-AMC as substrate by fluorescence based assay
50021558	3	ChEMBL_2455078	Inhibition of human Cathepsin B using Z-Phe-Arg-AMC as substrate by fluorescence based assay
50021558	4	ChEMBL_2455079	Inhibition of human Cathepsin L using Z-Phe-Arg-AMC as substrate by fluorescence based assay
50021558	5	ChEMBL_2455080	Binding affinity to recombinant Cathepsin S (unknown origin) expressed in Escherichia coli using Z-Val-Val-Arg-AMC as substrate assessed as inhibition constant for slowly reversible binding by fluorescence based assay
50021559	1	ChEMBL_2455092	Binding affinity to recombinant His-tagged human TIM-3 expressed in HEK293 assessed as dissociation constant by SPR analysis
50021559	2	ChEMBL_2455093	Binding affinity to recombinant His-tagged human TIM-3 expressed in HEK293 assessed as dissociation constant by microscale thermophoresis analysis
50021560	1	ChEMBL_2455108	Binding affinity to 6-His tagged sortilin (unknown origin) assessed as equilibrium dissociation constant by MST analysis
50021561	1	ChEMBL_2455115	Inhibition of SOS1/KRAS G12C mutant (unknown origin) protein-protein interaction incubated for 2 hrs by HTRF analysis
50021561	2	ChEMBL_2455117	Inhibition of SOS1/KRAS G12D mutant (unknown origin) protein-protein interaction
50021562	1	ChEMBL_2455154	Inhibition of active phospho Cbl-b (unknown origin) using His-phospho ZAP70 as substrate incubated for 30 mins followed by substrate addition and measured after 30 mins by TR-FRET assay
50021562	2	ChEMBL_2455155	Binding affinity to N-terminal Avi-tagged biotinylated human Cbl-b (40 to 426 residues) expressed in Escherichia coli by SPR assay
50021563	1	ChEMBL_2455160	Inhibition of recombinant human CA1 incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021563	2	ChEMBL_2455161	Inhibition of recombinant human CA2 incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021563	3	ChEMBL_2455162	Inhibition of recombinant human CA9 incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021563	4	ChEMBL_2455164	Inhibition of recombinant human CA12 incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021564	1	ChEMBL_2455197	Activation of PXR (unknown origin)
50021564	2	ChEMBL_2455198	Inhibition of recombinant human Nav1.8 expressed in HEK293 cells by whole cell patch clamp method
50021564	3	ChEMBL_2455202	Inhibition of Nav1.2 (unknown origin)
50021564	4	ChEMBL_2455203	Inhibition of Nav1.5 (unknown origin)
50021564	5	ChEMBL_2455204	Inhibition of Nav1.6 (unknown origin)
50021564	6	ChEMBL_2455241	Inhibition of rat neuronal Nav1.8 by patch clamp electrophysiology
50021564	7	ChEMBL_2455242	Inhibition of Nav1.7 (unknown origin)
50021564	8	ChEMBL_2455243	Inhibition of Cav1.2 (unknown origin)
50021565	1	ChEMBL_2455250	Inhibition of human HSD17B13 using estradiol and NAD as substrate incubated for 2 hrs by Envision plate reader analysis
50021566	1	ChEMBL_2455251	Inhibition of STK17A (unknown origin) in presence of ATP
50021566	2	ChEMBL_2455252	Inhibition of MYLK4 (unknown origin) in presence of ATP
50021566	3	ChEMBL_2455253	Inhibition of CLK4 (unknown origin) in presence of ATP
50021566	4	ChEMBL_2455260	Inhibition of TBK1 (unknown origin) in presence of ATP
50021566	5	ChEMBL_2455285	Inhibition of NEK3 (unknown origin) in presence of ATP
50021566	6	ChEMBL_2455286	Inhibition of NEK5 (unknown origin) in presence of ATP
50021566	7	ChEMBL_2455287	Inhibition of LIMK1 (unknown origin) in presence of ATP
50021567	1	ChEMBL_2455321	Inhibition of NDM-1 (unknown origin) using nitrocefin as substrate incubated for 15 to 60 mins by absorption based analysis
50021567	2	ChEMBL_2455322	Inhibition of NDM-1 (unknown origin)
50021568	1	ChEMBL_2455368	Inhibition of recombinant human PARP1 using HRP as substrate by ELISA analysis
50021569	1	ChEMBL_2455398	Inhibition of human recombinant HDAC2 using aminoluciferin-conjugated histone 4 derived acetylated lysine peptide as substrate incubated for 30 mins by bio-luminogenic assay
50021569	2	ChEMBL_2455399	Inhibition of human recombinant HDAC6 using aminoluciferin-conjugated histone 4 derived acetylated lysine peptide as substrate incubated for 30 mins by bio-luminogenic assay
50021571	1	ChEMBL_2455451	Inhibition of recombinant human SHIP2 (418 to 884 residues) using PIP3 as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by UV/visible microplate spectrophotometric analysis
50021572	1	ChEMBL_2455540	Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 15 mins by DTNB reagent based ELISA
50021572	2	ChEMBL_2455542	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells measured after 30 to 90 sec by absorbance based assay
50021572	3	ChEMBL_2455543	Inhibition of MAO-A (unknown origin) measured after 30 to 90 sec by absorbance based assay
50021572	4	ChEMBL_2455546	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by absorbance based microplate reader
50021572	5	ChEMBL_2455547	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins by DTNB reagent based assay
50021572	6	ChEMBL_2455548	Inhibition of electric eel AchE using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by Ellman's method
50021573	1	ChEMBL_2455705	Inhibition of ERalpha (unknown origin) by renilla luciferase assay
50021573	2	ChEMBL_2455706	Inhibition of ERbeta (unknown origin) by renilla luciferase assay
50021574	1	ChEMBL_2455720	Inhibition of HIV-1 protease using Val-Ser-Gln-Asn-(beta-naphthylalanine)-Pro-Ile-Val as substrate preincubated with enzyme followed by substrate addition and measured after 60 mins by HPLC analysis
50021574	2	ChEMBL_2455722	Inhibition of human leukocyte elastase using MeOSuc-Ala-Ala-Pro-Val-pNA as substrate measured for 10 mins by spectrophotometric analysis
50021574	3	ChEMBL_2455724	Inhibition of bovine TNAP using CDP-star as substrate preincubated with enzyme for 3 to 5 mins followed by substrate addition and measured after 15 mins by luminescence based analysis
50021574	4	ChEMBL_2455725	Inhibition of bovine IAP using CDP-star as substrate preincubated with enzyme for 3 to 5 mins followed by substrate addition and measured after 15 mins by luminescence based analysis
50021574	5	ChEMBL_2455727	Inhibition of MMP-1 (unknown origin)
50021574	6	ChEMBL_2455728	Inhibition of MMP-2 (unknown origin)
50021574	7	ChEMBL_2455729	Inhibition of MMP-9 (unknown origin)
50021574	8	ChEMBL_2455730	Inhibition of MMP-13 (unknown origin)
50021574	9	ChEMBL_2455732	Inhibition of recombinant human CA1 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021574	10	ChEMBL_2455733	Inhibition of recombinant human CA2 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50021575	1	ChEMBL_2455735	Inhibition of N-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) using MCA-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys(Dnp)-LsyNH2-trifluoroacetate salt as substrate in presence of DTT by FRET assay
50021575	2	ChEMBL_2455736	Binding affinity to N-terminal His6-tagged recombinant SARS-CoV-2 MPro C145A mutant transfected in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis
50021575	3	ChEMBL_2455737	Inhibition of human liver Cathepsin L using Z-Phe-Arg7-amido-4-methylcoumarin hydrochloride as substrate by FRET assay
50021575	4	ChEMBL_2455738	Inhibition of N-terminal His6-tagged recombinant SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as inhibition of MCA quenching using MCA-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys(Dnp)-LsyNH2-trifluoroacetate salt as substrate by FRET assay
50021576	1	ChEMBL_2455750	Inhibition of HIV-1 protease
50021576	2	ChEMBL_2455766	Inhibition of HIV1 reverse transcriptase
50021576	3	ChEMBL_2455768	Inhibition of HIV-1 NL4-3 reverse transcriptase by RT-PCR analysis
50021576	4	ChEMBL_2455774	Inhibition of influenza A virus H1N1 neuraminidase H274Y mutant
50021576	5	ChEMBL_2455795	Inhibition of SARS-CoV-2 3CL protease
50021576	6	ChEMBL_2455800	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50021577	1	ChEMBL_2455808	Binding affinity to SIRT1 (unknown origin) by surface plasmon resonance assay
50021577	2	ChEMBL_2455809	Binding affinity to PGC1alpha (unknown origin) by surface plasmon resonance assay
50021578	1	ChEMBL_2455876	Inhibition of SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate preincubated for 15 mins followed by substrate addition measured after 30 mins by FRET assay
50021578	2	ChEMBL_2455880	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 15 mins by FRET assay
50021578	3	ChEMBL_2455881	Binding affinity to SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant by FRET assay
50021578	4	ChEMBL_2455882	Binding affinity to SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant by FRET assay
50021578	5	ChEMBL_2455894	Inhibition of cathepsin L (unknown origin)
50021578	6	ChEMBL_2455896	Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate measured after 10 mins by fluorescence based analysis
50021578	7	ChEMBL_2455899	Binding affinity to His-tagged SARS-CoV-2 Main protease BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant by FRET assay
50021578	8	ChEMBL_2455902	Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant by FRET analysis
50021578	9	ChEMBL_2455903	Binding affinity to SARS-CoV-2 MPro assessed as dissociation constant by FRET analysis
50021578	10	ChEMBL_2455907	Inhibition of SARS-CoV-2 RNA-dependent RNA polymerase
50021578	11	ChEMBL_2455910	Inhibition of SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) measured after 1 hr by FRET analysis
50021578	12	ChEMBL_2455911	Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant
50021578	13	ChEMBL_2455912	Inhibition of N-terminal His6-tagged recombinant full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate preincubated with compound for 10 mins followed by substrate addition by FRET assay
50021578	14	ChEMBL_2455914	Binding affinity to C-terminal GST-tagged full-length recombinant SARS-CoV-2 3CLpro expressed in Escherichia coli BL21(DE3) assessed as inhibition constant by ITC analysis
50021578	15	ChEMBL_2455916	Inhibition of SARS-CoV-2 3CL protease
50021578	16	ChEMBL_2455917	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50021578	17	ChEMBL_2455919	Inhibition of SARS-CoV-2 3CL protease using DabcylKTSAVLQSGFRKME-Edans amide as substrate by FRET assay
50021579	1	ChEMBL_2455921	Inhibition of DDR1 (unknown origin) in presence of ATP by Z-Lyte enzymatic kinase assay
50021579	2	ChEMBL_2455922	Inhibition of DDR2 (unknown origin) in presence of ATP by Z-Lyte enzymatic kinase assay
50021579	3	ChEMBL_2455923	Inhibition of human recombinant c-SRC catalytic domain using pEY (4:1) as substrate incubated for 30 mins in presence of ATP by ELISA method
50021579	4	ChEMBL_2455924	Inhibition of hERG
50021579	5	ChEMBL_2455929	Inhibition of FGFR1 (unknown origin)
50021579	6	ChEMBL_2455930	Inhibition of PDGFRbeta (unknown origin) by enzymatic assay
50021579	7	ChEMBL_2455931	Inhibition of VEGFR2 (unknown origin)
50021579	8	ChEMBL_2455932	Inhibition of glutathione S-transferase fused PDGFbetaR (unknown origin) in 3T3 cells
50021579	9	ChEMBL_2455936	Inhibition of wild type human PDGFRalpha transfected with CHO cells by ADP-Glo assay
50021579	10	ChEMBL_2455937	Inhibition of PDGFRbeta (unknown origin) by DiscoverX KINOMEscan assay
50021579	11	ChEMBL_2455938	Inhibition of JAK2 (unknown origin) incubated for 30 mins in presence of ATP by HTRF assay
50021579	12	ChEMBL_2455939	Inhibition of SRC (unknown origin)
50021579	13	ChEMBL_2455940	Inhibition of ABL (unknown origin) by kinome scan assay
50021579	14	ChEMBL_2455941	Inhibition of c-Met (unknown origin) by mobility shift assay
50021579	15	ChEMBL_2455942	Inhibition of KIT (unknown origin)
50021579	16	ChEMBL_2455943	Inhibition of AXL (unknown origin) by FRET assay
50021579	17	ChEMBL_2455944	Inhibition of human recombinant DDR2 using poly(Glu,Tyr) as substrate incubated for 1 hr by ELISA method
50021579	18	ChEMBL_2455945	Inhibition of PI3Kalpha (unknown origin) by kinase profiling assay
50021579	19	ChEMBL_2455946	Inhibition of AKT phosphorylation in human OVCAR-8 cells assessed as reduction in pAKT level incubated for 24 hrs by Western blot analysis
50021579	20	ChEMBL_2455951	Binding affinity to AT1R (unknown origin) assessed as inhibition constant
50021579	21	ChEMBL_2455952	Binding affinity to AT2R (unknown origin) assessed as inhibition constant
50021579	22	ChEMBL_2455958	Inhibition of human FPR expressed in human U-937 cells by fluorescence based ligand binding assay
50021579	23	ChEMBL_2455959	Binding affinity to STAT3 in human NIH-3T3 cells assessed as STAT3 stabilization incubated for 1 hr by CETSA
50021579	24	ChEMBL_2455960	Inhibition of HDAC6 (unknown origin)
50021579	25	ChEMBL_2455961	Inhibition of HDAC1 (unknown origin)
50021579	26	ChEMBL_2455962	Inhibition of HDAC8 (unknown origin)
50021580	1	ChEMBL_2455966	Inhibition of Escherichia colo K12 His-tagged MurA expressed in Escherichia coli BL21 cells using UNAG as substrate pre incubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader analysis
50021580	2	ChEMBL_2455968	Inhibition of Escherichia coli K12 His-tagged MurA expressed in Escherichia coli BL21 cells using UNAG as substrate pre incubated for 15 mins followed by substrate addition and measured after 15 mins by microplate reader analysis
50021580	3	ChEMBL_2455970	Inhibition of Escherichia coli MurA C115D mutant at 50 uM using UNAG as substrate pre incubated for 15 mins followed by substrate addition and measured after 15 mins by microplate reader analysis relative to control
50021581	1	ChEMBL_2456031	Inhibition of Hepatitis C virus genotype 1a NS4B
50021581	2	ChEMBL_2456033	Inhibition of Hepatitis C virus genotype 1b NS4B
50021581	3	ChEMBL_2456034	Inhibition of Hepatitis C virus genotype 4 NS4B
50021581	4	ChEMBL_2456035	Inhibition of Hepatitis C virus genotype 5 NS4B
50021581	5	ChEMBL_2456036	Inhibition of Hepatitis C virus genotype 6 NS4B
50021581	6	ChEMBL_2456037	Inhibition of Hepatitis C virus genotype 2b NS4B
50021581	7	ChEMBL_2456038	Inhibition of Hepatitis C virus genotype 3a NS4B
50021581	8	ChEMBL_2456039	Inhibition of Hepatitis C virus NS3-4A protease genotype 1b
50021581	9	ChEMBL_2456040	Inhibition of Hepatitis C virus NS3-4A protease genotype 1a
50021581	10	ChEMBL_2456041	Inhibition of Hepatitis C virus NS3-4A protease genotype 2a
50021581	11	ChEMBL_2456042	Inhibition of Hepatitis C virus NS3-4A protease genotype 2b
50021581	12	ChEMBL_2456043	Inhibition of Hepatitis C virus NS3-4A protease genotype 3a
50021581	13	ChEMBL_2456048	Binding affinity to Hepatitis C virus genotype 1 NS4B assessed as inhibition constant
50021581	14	ChEMBL_2456049	Binding affinity to Hepatitis C virus genotype 4 NS4B assessed as inhibition constant
50021581	15	ChEMBL_2456051	Binding affinity to Hepatitis C virus genotype 1H NS3-4A protease assessed as inhibition constant
50021581	16	ChEMBL_2456053	Inhibition of Hepatitis C virus genotype 1a NS5B polymerase
50021581	17	ChEMBL_2456054	Inhibition of Hepatitis C virus genotype 1b NS5B polymerase
50021581	18	ChEMBL_2456055	Inhibition of Hepatitis C virus genotype 2a NS5B polymerase
50021581	19	ChEMBL_2456060	Binding affinity to DNA polymerase alpha (unknown origin) assessed as inhibition constant
50021581	20	ChEMBL_2456061	Binding affinity to human DNA polymerase gamma assessed as inhibition constant
50021582	1	ChEMBL_2456237	Inhibition of HDAC4 (unknown origin)
50021582	2	ChEMBL_2456240	Inhibition of human recombinant TEV-8His-tagged HDAC4 (648 to 1057 residues) expressed in Escherichia coli (DE3) Rosetta cells using Boc-Lys-(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50021582	3	ChEMBL_2456241	Inhibition of human recombinant HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50021582	4	ChEMBL_2456242	Inhibition of human recombinant HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50021582	5	ChEMBL_2456243	Inhibition of human recombinant HDAC8 using Boc-Lys-(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50021582	6	ChEMBL_2456249	Inhibition of HDAC1 (unknown origin)
50021582	7	ChEMBL_2456250	Inhibition of HDAC3 (unknown origin)
50021582	8	ChEMBL_2456251	Inhibition of HDAC5 (unknown origin)
50021582	9	ChEMBL_2456252	Inhibition of HDAC7 (unknown origin)
50021582	10	ChEMBL_2456253	Inhibition of HDAC11 (unknown origin)
50021582	11	ChEMBL_2456332	Inhibition of HDAC1 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate
50021582	12	ChEMBL_2456333	Inhibition of HDAC2 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate
50021582	13	ChEMBL_2456334	Inhibition of HDAC3 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate
50021582	14	ChEMBL_2456335	Inhibition of HDAC4 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate
50021582	15	ChEMBL_2456336	Inhibition of HDAC5 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate
50021582	16	ChEMBL_2456337	Inhibition of HDAC6 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate
50021582	17	ChEMBL_2456338	Inhibition of HDAC7 (unknown origin) using Boc-Lys-(Tfa)-AMC as substrate
50021582	18	ChEMBL_2456339	Inhibition of HDAC8 (unknown origin) using Arg-His-Lys(Ac)-Lys(Ac) as substrate
50021582	19	ChEMBL_2456340	Inhibition of HDAC11 (unknown origin) using Arg-His-Lys-Lys(Ac) as substrate
50021582	20	ChEMBL_2456341	Inhibition of GST-tagged HDAC4 (unknown origin)
50021585	1	ChEMBL_2456342	Binding affinity to ACE2 (unknown origin) by MST analysis
50021585	2	ChEMBL_2456343	Binding affinity to NRP1 (unknown origin) by MST analysis
50021586	1	ChEMBL_2456396	Inhibition of N-terminal GST tagged human recombinant EGFR (695 to end residues) expressed in baculovirus infected Sf9 cells using Poly (4:1 Glu, Tyr) as substrate incubated for 60 mins in presence of ATP by ADP-Glo luminescent assay
50021586	2	ChEMBL_2456397	Inhibition of N-terminal GST tagged human recombinant EGFR L858R mutant (695 to end residues) expressed in baculovirus infected Sf9 cells using Poly (4:1 Glu, Tyr) as substrate incubated for 60 mins in presence of ATP by ADP-Glo luminescent assay
50021586	3	ChEMBL_2456398	Inhibition of N-terminal GST tagged human recombinant c-Met (956 to end residues) expressed in baculovirus infected Sf9 cells using Poly (4:1 Glu, Tyr) as substrate incubated for 60 mins in presence of ATP by ADP-Glo luminescent assay
50021586	4	ChEMBL_2456456	Inhibition of RON (unknown origin)
50021586	5	ChEMBL_2456457	Inhibition of ROS (unknown origin)
50021586	6	ChEMBL_2456458	Inhibition of KDR (unknown origin)
50021586	7	ChEMBL_2456459	Inhibition of FLT4 (unknown origin)
50021586	8	ChEMBL_2456460	Inhibition of FLT1 (unknown origin)
50021588	1	ChEMBL_2456489	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate preincubated with compound for 20 mins followed by substrate addition measured after 1 hrs by absorbance based analysis
50021588	2	ChEMBL_2456490	Inhibition of porcine pancreatic alpha-amylase using pNPG as substrate preincubated with compound for 20 mins followed by substrate addition measured after 1 hrs by absorbance based analysis
50021588	3	ChEMBL_2456493	Mixed type inhibition of Saccharomyces cerevisiae alpha-glucosidase using pNPG as substrate assessed as inhibition constant preincubated for 20 mins followed by substrate addition measured after 1 hrs by Lineweaver-burk plot analysis
50021589	1	ChEMBL_2456515	Inhibition of human MAO-B
50021589	2	ChEMBL_2456516	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using tyramine as substrate by amplex red dye based fluorescence analysis
50021589	3	ChEMBL_2456517	Inhibition of human recombinant MAO-B using tyramine as substrate incubated for 20 mins by fluorometric assay
50021589	4	ChEMBL_2456518	Inhibition of human recombinant MAO-A using tyramine as substrate incubated for 20 mins by fluorometric assay
50021590	1	ChEMBL_2456539	Binding affinity to PDE4 (unknown origin) assessed as inhibition constant
50021590	2	ChEMBL_2456540	Inhibition of PDE1C (unknown origin)
50021590	3	ChEMBL_2456541	Inhibition of full-length recombinant human PDE1A using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50021590	4	ChEMBL_2456542	Inhibition of PDE1B (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50021590	5	ChEMBL_2456543	Inhibition of PDE1C (unknown origin) expressed in Escherichia coli BL21 using [3H]cGMP as substrate incubated for 15 mins by liquid scintillation method
50021590	6	ChEMBL_2456546	Inhibition of PDE5 (unknown origin)
50021590	7	ChEMBL_2456547	Inhibition of PDE1A (unknown origin) using [3H]-cAMP as substrate incubated for 1 hr by SPA assay
50021590	8	ChEMBL_2456548	Inhibition of PDE1B (unknown origin) using [3H]-cAMP as substrate incubated for 1 hr by SPA assay
50021590	9	ChEMBL_2456549	Inhibition of PDE1C (unknown origin) using [3H]-cAMP as substrate incubated for 1 hr by SPA assay
50021590	10	ChEMBL_2456551	Inhibition of PDE3A (unknown origin)
50021590	11	ChEMBL_2456552	Inhibition of PDE4D (unknown origin)
50021590	12	ChEMBL_2456553	Inhibition of PDE5A (unknown origin)
50021590	13	ChEMBL_2456554	Inhibition of human recombinant full length PDE10A
50021590	14	ChEMBL_2456556	Binding affinity to PDE2A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hrs by surface plasmon resonance assay
50021590	15	ChEMBL_2456557	Binding affinity to PDE3B (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hrs by surface plasmon resonance assay
50021590	16	ChEMBL_2456558	Binding affinity to PDE4A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50021590	17	ChEMBL_2456559	Binding affinity to PDE8A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50021590	18	ChEMBL_2456560	Binding affinity to PDE9A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50021590	19	ChEMBL_2456561	Binding affinity to PDE10A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50021590	20	ChEMBL_2456562	Binding affinity to PDE11A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50021590	21	ChEMBL_2456564	Inhibition of full-length recombinant human PDE2A using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50021590	22	ChEMBL_2456565	Inhibition of PDE7A (unknown origin)
50021590	23	ChEMBL_2456566	Inhibition of full-length recombinant human PDE8A using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50021590	24	ChEMBL_2456568	Inhibition of PDE9A (unknown origin)
50021590	25	ChEMBL_2456569	Inhibition of PDE1A3 (unknown origin)
50021590	26	ChEMBL_2456570	Inhibition of PDE1B (unknown origin)
50021591	1	ChEMBL_2456654	Inhibition of TRKA (unknown origin) using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021591	2	ChEMBL_2456655	Inhibition of TRKA (unknown origin) G595R mutant using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021591	3	ChEMBL_2456656	Inhibition of wild type TRKA (unknown origin) using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021591	4	ChEMBL_2456657	Inhibition of wild type TRKB (unknown origin) using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021591	5	ChEMBL_2456658	Inhibition of wild type TRKC (unknown origin) using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021591	6	ChEMBL_2456659	Inhibition of TRKA (unknown origin) G667C mutant using TK peptide as substrate incubated for 30 mins in presence of ATP by HTRF analysis
50021592	1	ChEMBL_2456765	Binding affinity to N-terminal 6His-tagged full length FABP4 (unknown origin) expressed in Escherichia coli ER2566 assessed as dissociation constant by isothermal titration calorimetric analysis
50021592	2	ChEMBL_2456766	Displacement of 1,8-ANS from N-terminal 6His-tagged full length FABP4 (unknown origin) expressed in Escherichia coli ER2566 assessed as inhibition constant preincubated with compound for 10 mins followed by 1,8-ANS addition and measured after 3 mins by fluorescence based analysis
50021593	1	ChEMBL_2456782	Antagonist activity against human FXR transfected in HEK293T cells co-transfected with pCDNA-hFXR and pRL-TK incubated for 24 hrs by dual-luciferase reporter assay
50021594	1	ChEMBL_2456845	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50021594	2	ChEMBL_2456846	Inhibition of C-terminal 6His-FLAG-tagged human recombinant HDAC1 (1 to 482 residues) expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by plate reader analysis
50021594	3	ChEMBL_2456848	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50021594	4	ChEMBL_2456849	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50021594	5	ChEMBL_2456850	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hr in presence of ATP by ADP-Glo assay
50021594	6	ChEMBL_2456851	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate incubated for 30 mins in presence of ATP by LANCE ultra assay
50021594	7	ChEMBL_2456852	Inhibition of C-terminal His6-FLAG-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 cells using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by plate reader analysis
50021594	8	ChEMBL_2456853	Inhibition of HDAC3 (unknown origin)
50021594	9	ChEMBL_2456854	Inhibition of N-terminal GST-tagged and C-terminal His-tagged human HDAC4 (627 to 1084 end residues) expressed in baculovirus infected Sf9 cells using Ac-peptide as substrate incubated for 1 hr by plate reader analysis
50021594	10	ChEMBL_2456855	Inhibition of HDAC6 (unknown origin)
50021594	11	ChEMBL_2456856	Inhibition of C-terminal His-tagged human recombinant HDAC8 (1 to 377 end residues) expressed in Sf9 cells using Ac-peptide as substrate incubated for 1 hr by plate reader analysis
50021594	12	ChEMBL_2456857	Inhibition of human HDAC11 (1 to 347 end residues) expressed in Sf9 cells using Ac-peptide as substrate incubated for 1 hr by plate reader analysis
50021596	1	ChEMBL_2456918	Inhibition of N-terminal GST-tagged recombinant full length human PDK4 (1 to 411 residues ) expressed in baculovirus infected Sf9 cells using PDHA1 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo luminescence assay
50021596	2	ChEMBL_2456928	Binding affinity to PDK1 (unknown origin) assessed as dissociation constant
50021596	3	ChEMBL_2456929	Binding affinity to PDK1 (unknown origin) assessed as dissociation constant in presence of 5-((4-chlorophenyl)sulfonamido)-N-(2-hydroxyethyl)-2,4-dimethylbenzenesulfonamide
50021596	4	ChEMBL_2456930	Inhibition of recombinant full-length human PDK1 (1 to 436 residues) expressed in baculovirus infected Sf9 insect cells using PDHA1 as substrate incubated for 1 hrs in presence of ATP by Kinase-Glo luminescence assay
50021596	5	ChEMBL_2456932	Inhibition of recombinant full length human PDK2 (1 to 407 residues) expressed in baculovirus infected Sf9 cells using PDHA1 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo luminescence assay
50021596	6	ChEMBL_2456933	Inhibition of N-terminal GST-tagged recombinant human full length PDK3 (1 to 406 residues) expressed in baculovirus infected Sf9 cells using PDHA1 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo luminescence assay
50021596	7	ChEMBL_2456965	Inhibition of PDK1 (unknown origin) by chemiluminescence based ADPGlo Kinase Assay
50021596	8	ChEMBL_2456966	Inhibition of human PDK1 by ADPGlo Kinase Assay
50021596	9	ChEMBL_2456967	Inhibition of 6His-tagged full length PDK1 (unknown origin) expressed in Escherichia coli in presence of ATP by ELISA based kinase activity assay
50021598	1	ChEMBL_2457091	Inhibition of PARP7 (unknown origin) by probe displacement assay
50021598	2	ChEMBL_2457092	Inhibition of PARP1 (unknown origin) by probe displacement assay
50021598	3	ChEMBL_2457093	Inhibition of PARP2 (unknown origin) by probe displacement assay
50021598	4	ChEMBL_2457094	Inhibition of PARP12 (unknown origin) by probe displacement assay
50021598	5	ChEMBL_2457098	Inhibition of PARP7 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	6	ChEMBL_2457099	Inhibition of PARP1 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	7	ChEMBL_2457100	Inhibition of PARP2 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	8	ChEMBL_2457101	Inhibition of TNKS1 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	9	ChEMBL_2457102	Inhibition of TNKS2 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	10	ChEMBL_2457103	Inhibition of PARP10 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	11	ChEMBL_2457104	Inhibition of PARP11 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	12	ChEMBL_2457105	Inhibition of PARP12 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	13	ChEMBL_2457106	Inhibition of PARP14 (unknown origin) measured after 1 hr incubation by microplate reader assay
50021598	14	ChEMBL_2457107	Inhibition of TNKS1 (unknown origin) by probe displacement assay
50021598	15	ChEMBL_2457108	Inhibition of TNKS2 (unknown origin) by probe displacement assay
50021598	16	ChEMBL_2457109	Inhibition of PARP10 (unknown origin) by probe displacement assay
50021598	17	ChEMBL_2457110	Inhibition of PARP11 (unknown origin) by probe displacement assay
50021598	18	ChEMBL_2457111	Inhibition of PARP14 (unknown origin) by probe displacement assay
50021599	1	ChEMBL_2457174	Binding affinity to CM5 sensor chip immobilized human recombinant TMPRSS2 assessed as dissociation constant by SPR analysis
50021599	2	ChEMBL_2457175	Inhibition of human recombinant TMPRSS2 using Boc-Gln-Ala-Arg-AMC as peptide substrate pre-incubated with compound for 30 mins followed by substrate addition by fluorescence based assay
50021599	3	ChEMBL_2457177	Binding affinity to CM5 sensor chip immobilized SARS-CoV-2 3CL protease assessed as dissociation constant by SPR analysis
50021599	4	ChEMBL_2457180	Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substrate pre-incubated with compound for 30 mins followed by substrate addition by FRET assay
50021599	5	ChEMBL_2457185	Inhibition of SARS-CoV-2 3CL protease by luciferase reporter assay
50021599	6	ChEMBL_2457187	Inhibition of SARS-CoV-2 PL protease using peptide-AMC as substrate incubated for 3 hrs
50021600	1	ChEMBL_2457191	Inhibition of recombinant human CDK12/Cyclin K using RNA Pol II-CTD as substrate preincubated for ~20 mins followed by 33P-ATP addition measured after 120 mins by HotSpot kinase assay
50021600	2	ChEMBL_2457239	Inhibition of hERG by auto-patch clamp assay
50021601	1	ChEMBL_2457270	Inhibition of PIM-2 (unknown origin)
50021601	2	ChEMBL_2457271	Inhibition of FLT3-ITD (unknown origin) using fluorescein-poly GT and ATP as substrates preincubated for 10 mins followed by substrate addition and measured after 40 mins by LanthaScreen assay
50021601	3	ChEMBL_2457272	Inhibition of N-terminal 6His-tagged human PIM-1 (29 to 313 residues) expressed in Escherichia coli
50021601	4	ChEMBL_2457275	Inhibition of full length PIM1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using RSRHSSYPAGT as peptide substrate incubated for 10 mins in presence of [gamma-32P]ATP by radiometric scintillation assay
50021601	5	ChEMBL_2457281	Inhibition of PIM-1 (unknown origin) incubated for 40 mins by radiometric kinase assay
50021601	6	ChEMBL_2457282	Inhibition of PIM-1 (unknown origin)
50021601	7	ChEMBL_2457289	Inhibition of C-terminal His-tagged human recombinant PIM-1 expressed in Escherichia coli BL21 (DE3) cells using RSRHSSYPAGT as peptide substrate preincubated for 15 mins followed by substrate addition measured after 1hr by Hot-SpotSM kinase assay
50021601	8	ChEMBL_2457290	Inhibition of human PIM2 by discoverX kinome scan assay
50021601	9	ChEMBL_2457291	Inhibition of PIM-3 (unknown origin)
50021602	1	ChEMBL_2457316	Inhibition of recombinant human DHFR using DHF as substrate measured for 1 hr in presence of NADPH by absorbance based assay
50021603	1	ChEMBL_2457382	Inhibition of ATX (unknown origin)
50021603	2	ChEMBL_2457383	Inhibition of human ATX in using LPC as substrate by fluorescence based microplate reader assay
50021604	1	ChEMBL_2457413	Inhibition of extracellular arginase (unknown origin)
50021604	2	ChEMBL_2457414	Inhibition of human recombinant ARG1 expressed in Escherichia coli using L-arginine hydrochloride as substrate assessed as inhibition of urea production incubated for 20 mins by colorimetric analysis
50021605	1	ChEMBL_2457589	Binding affinity to human HER2 assessed as dissociation constant by SPR analysis
50021606	1	ChEMBL_2457625	Binding affinity to His-tagged PCSK9 (unknown origin) coupled to CM5 chip assessed as dissociation constant by SPR analysis
50021606	2	ChEMBL_2457626	Binding affinity to His-tagged LC3B (unknown origin) coupled to CM5 chip assessed as dissociation constant by SPR analysis
50021608	1	ChEMBL_2457695	Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatum incubated for 120 mins by scintillation counting analysis
50021608	2	ChEMBL_2457696	Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brainstem incubated for 60 mins by scintillation counting analysis
50021608	3	ChEMBL_2457699	Displacement of [3H]WIN35428 from wild type human DAT expressed in COS-7 cells incubated for 1.5 hrs by scintillation counting analysis
50021608	4	ChEMBL_2457702	Inhibition of [3H]dopamine uptake from wild type human DAT expressed in COS-7 cells preincubated for 30 mins followed by [3H]dopamine addition and measured after 5 mins by beta scintillation counting analysis
50021609	1	ChEMBL_2457720	Binding affinity to GPC3 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50021610	1	ChEMBL_2457796	Inhibition of BRD4 (unknown origin) by ALPHA screen assay
50021610	2	ChEMBL_2457797	Inhibition of BRD4-BD1 (unknown origin) assessed as peptide-biotin titration - BRD4(1)/histone H4 peptide interaction by HTRF/EPIgeneous assay
50021611	1	ChEMBL_2457813	Binding affinity to WDR5 (unknown origin) assessed as dissociation constant by ITC analysis
50021611	2	ChEMBL_2457814	Binding affinity to WDR5 (unknown origin) assessed as dissociation constant by FP analysis
50021612	1	ChEMBL_2457945	Inhibition of GAL4 DNA-binding domain fused RORgamma (unknown origin) transfected in CHO-K1 cells incubated for 2 days by luciferase assay
50021612	2	ChEMBL_2458000	Inhibition of human Adenosine A1 receptor
50021612	3	ChEMBL_2458001	Inhibition of rat adrenergic alpha1 receptor
50021612	4	ChEMBL_2458002	Inhibition of rat adrenergic alpha2 receptor
50021612	5	ChEMBL_2458003	Inhibition of human adrenergic beta1 receptor
50021612	6	ChEMBL_2458004	Inhibition of human adrenergic beta2 receptor
50021612	7	ChEMBL_2458005	Inhibition of human adrenergic beta3 receptor
50021612	8	ChEMBL_2458006	Inhibition of rat L-type Ca2+ channel
50021612	9	ChEMBL_2458007	Inhibition of human CB1 receptor
50021612	10	ChEMBL_2458008	Inhibition of human dopamine D1 receptor
50021612	11	ChEMBL_2458012	Inhibition of human histamine H1 receptor
50021612	12	ChEMBL_2458013	Inhibition of human histamine H2 receptor
50021612	13	ChEMBL_2458014	Inhibition of human histamine H3 receptor
50021612	14	ChEMBL_2458019	Inhibition of human 5-HT1A receptor
50021612	15	ChEMBL_2458020	Inhibition of human 5-HT2A receptor
50021612	16	ChEMBL_2458021	Inhibition of human 5-HT3 receptor
50021612	17	ChEMBL_2458022	Inhibition of Electric eel AChE
50021612	18	ChEMBL_2458023	Inhibition of ovine cox-1
50021612	19	ChEMBL_2458024	Inhibition of human MAO-A
50021612	20	ChEMBL_2458025	Inhibition of human MAO-B
50021613	1	ChEMBL_2458140	Inhibition of Staphylococcus aureus sortase A N24 deletion mutant using Abz-LPATG-Dnp as substrate preincubated for 20 mins followed by substrate addition by FRET assay
50021613	2	ChEMBL_2458142	Inhibition of Staphylococcus aureus Sortase A N24 deletion mutant transpeptidation using IsdA64-323 as substrate preincubated for 20 mins followed by substrate addition and measured after 1.5 hrs by SDS-PAGE analysis
50021613	3	ChEMBL_2458148	Covalent inhibition of Staphylococcus aureus sortase A N24 deletion mutant assessed as inactivation constant incubated for 60 mins
50021613	4	ChEMBL_2458154	Inhibition of cathepsin B (unknown origin) using Cbz-Phe-Arg-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assay
50021613	5	ChEMBL_2458155	Inhibition of cathepsin L (unknown origin) using Cbz-Phe-Arg-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assay
50021614	1	ChEMBL_2458207	Binding affinity to FTHFS (unknown origin) expressed in Escherichia coli BL21 (DE3) using IPTG as substrate assessed as dissociation constant by MST assay
50021615	1	ChEMBL_2458218	Inhibition of BRD4 BD1 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	2	ChEMBL_2458219	Inhibition of BRD4 BD2 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	3	ChEMBL_2458241	Inhibition of BRD3 BD2 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	4	ChEMBL_2458242	Inhibition of BRD3 BD1 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	5	ChEMBL_2458244	Inhibition of BRD2 BD2 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	6	ChEMBL_2458245	Inhibition of BRD2 BD1 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	7	ChEMBL_2458247	Inhibition of BRDT BD2 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	8	ChEMBL_2458248	Inhibition of BRDT BD1 (unknown origin) using biotinylated tetra-acetylated H4 peptide SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRK-Biotin as substrate incubated for 1 hr by TR-FRET assay
50021615	9	ChEMBL_2458288	Inhibition of BRD4 BD1 (unknown origin) by Alphascreen assay
50021615	10	ChEMBL_2458289	Inhibition of BRD4 BD2 (unknown origin) by Alphascreen assay
50021615	11	ChEMBL_2458290	Binding affinity to BRD4 BD1 (unknown origin) by ITC analysis
50021615	12	ChEMBL_2458291	Binding affinity to BRD4 BD2 (unknown origin) by ITC analysis
50021616	1	ChEMBL_2458308	Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta release preincubated with compound for 1 hrs followed by nigericin addition and measured after 3 hrs by HTRF assay
50021616	2	ChEMBL_2458309	Inhibition of NLRP3 in human whole blood assessed as reduction in IL-1beta release preincubated with compound for 60 mins followed by LPS addition for 5 hrs and measured 30 mins after ATP addition by HTRF assay
50021616	3	ChEMBL_2458318	Binding affinity to recombinant NLRP3 NACHT domain (unknown origin) expressed in Sf9 insect cells incubated for 60 mins by fluorescence polarization assay
50021616	4	ChEMBL_2458332	Inhibition of NLRP3 in C57BL/6 mouse 50% whole blood assessed as reduction in IL-1beta release preincubated with compound for 60 mins followed by LPS addition for 4 hrs and measured 30 mins after ATP addition by ELISA
50021616	5	ChEMBL_2458341	Inhibition of VMAT-2 (unknown origin)
50021617	1	ChEMBL_2458362	Inhibition of Hepatitis C virus genotype 1b NS4B
50021617	2	ChEMBL_2458371	Binding affinity to Hepatitis C virus genotype 1a NS4B assessed as inhibition constant
50021617	3	ChEMBL_2458372	Binding affinity to Hepatitis C virus genotype 2b NS4B assessed as inhibition constant
50021617	4	ChEMBL_2458373	Binding affinity to Hepatitis C virus genotype 3a NS4B assessed as inhibition constant
50021617	5	ChEMBL_2458374	Binding affinity to Hepatitis C virus genotype 1b NS4B assessed as inhibition constant
50021617	6	ChEMBL_2458375	Inhibition of Hepatitis C virus genotype 3a NS4B
50021617	7	ChEMBL_2458376	Inhibition of Hepatitis C virus genotype 2b NS4B
50021617	8	ChEMBL_2458377	Inhibition of Hepatitis C virus genotype 1a NS4B
50021617	9	ChEMBL_2458378	Inhibition of Hepatitis C virus genotype 4 NS4B
50021617	10	ChEMBL_2458379	Inhibition of Hepatitis C virus genotype 5 NS4B
50021617	11	ChEMBL_2458380	Inhibition of Hepatitis C virus genotype 6 NS4B
50021617	12	ChEMBL_2458398	Binding affinity to Hepatitis C virus genotype 2a NS5B polymerase assessed as inhibition constant
50021617	13	ChEMBL_2458399	Binding affinity to Hepatitis C virus genotype 4a NS4B assessed as inhibition constant
50021617	14	ChEMBL_2458400	Binding affinity to Hepatitis C virus genotype 6a NS4B assessed as inhibition constant
50021617	15	ChEMBL_2458401	Inhibition of Hepatitis C virus genotype 4a NS4B
50021617	16	ChEMBL_2458402	Inhibition of Hepatitis C virus genotype 5a NS4B
50021617	17	ChEMBL_2458403	Inhibition of Hepatitis C virus genotype 6a NS4B
50021617	18	ChEMBL_2458405	Binding affinity to Hepatitis C virus genotype 1 NS4B assessed as inhibition constant
50021617	19	ChEMBL_2458406	Inhibition of full length Hepatitis C virus genotype 1b NS4B expressed in Escherichia coli
50021617	20	ChEMBL_2458407	Binding affinity to full length Hepatitis C virus genotype 1b NS4B expressed in Escherichia coli assessed as inhibition constant
50021617	21	ChEMBL_2458408	Inhibition of SARS-CoV-2 3CL protease by FRET assay
50021617	22	ChEMBL_2458413	Inhibition of Hepatitis C virus genotype 3a NS4B expressed in Escherichia coli
50021618	1	ChEMBL_2458417	Binding affinity to his-tagged BRM bromodomain (unknown origin) by alpha-LISA assay
50021618	2	ChEMBL_2458418	Binding affinity to his-tagged BRG1 bromodomain (unknown origin) by alpha-LISA assay
50021618	3	ChEMBL_2458447	Binding affinity to his-tagged BRM bromodomain (unknown origin) assessed as dissociation constant
50021618	4	ChEMBL_2458448	Binding affinity to his-tagged BRG1 bromodomain (unknown origin) assessed as dissociation constant
50021618	5	ChEMBL_2458449	Binding affinity to VHL (unknown origin) assessed as dissociation constant
50021619	1	ChEMBL_2458487	Inhibition of CBL-B (unknown origin) by biochemical assay
50021619	2	ChEMBL_2458489	Binding affinity to CBL-B (unknown origin) assessed as dissociation constant
50021619	3	ChEMBL_2458490	Inhibition of CBL-B (unknown origin) by FRET assay
50021619	4	ChEMBL_2458494	Inhibition of Cbl-b (unknown origin) by Cellular substrate assay
50021619	5	ChEMBL_2458495	Inhibition of N-terminal biotinylated Avi-tagged Cbl-b (36 to 427 residues) (unknown origin) by SPR assay
50021619	6	ChEMBL_2458496	Inhibition of Cbl-b (unknown origin) by TR-FRET assay
50021619	7	ChEMBL_2458497	Inhibition of Cbl-b (unknown origin) using fluorophore-labeled probe by TR-FRET based Cb1-b displacement assay
50021619	8	ChEMBL_2458498	Inhibition of C-Cbl (unknown origin) by TR-FRET assay
50021620	1	ChEMBL_2458500	Inhibition of PHD2 (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 30 mins by HTS plate reader analysis
50021620	2	ChEMBL_2458544	Inhibition of androgen receptor (unknown origin) by KINOMEscan analysis
50021620	3	ChEMBL_2458545	Inhibition of glucocorticoid receptor (unknown origin) by KINOMEscan analysis
50021621	1	ChEMBL_2458656	Inhibition of recombinant human PAPD5 expressed in Escherichia coli BL21 (DE3) using 5'-GCCUUUCAUCUC UAACUGCGAAAAAAAAAA-3' as RNA substrate incubated for 3 hrs in presence of ATP by ATP depletion based kinase-glo luminescent assay
50021621	2	ChEMBL_2458657	Inhibition of recombinant human PAPD7 expressed in Escherichia coli BL21 (DE3) using 5'-GCCUUUCAUCUC UAACUGCGAAAAAAAAAA-3' as RNA substrate incubated for 3 hrs in presence of ATP by ATP depletion based kinase-glo luminescent assay
50021622	1	ChEMBL_2458686	Inhibition of KRAS G12D mutant (unknown origin) preincubated for 15 mins followed by SOS1/EDA-GTP-DY-647P1 addition measured after 30 mins by HTRF assay
50021623	1	ChEMBL_2458745	Inhibition of PKCalpha (unknown origin) incubated for 15 mins in presence of 33P-ATP by Topcount scintillation counting method
50021623	2	ChEMBL_2458746	Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P-ATP by Topcount scintillation counting method
50021623	3	ChEMBL_2458775	Inhibition of PKCeta (unknown origin)
50021623	4	ChEMBL_2458777	Inhibition of PKCalpha (unknown origin)
50021623	5	ChEMBL_2458778	Inhibition of PKCbeta1 (unknown origin)
50021623	6	ChEMBL_2458779	Inhibition of PKCbeta2 (unknown origin)
50021623	7	ChEMBL_2458780	Inhibition of PKCgamma (unknown origin)
50021623	8	ChEMBL_2458781	Inhibition of PKCdelta (unknown origin)
50021623	9	ChEMBL_2458782	Inhibition of PKCepsilon (unknown origin)
50021623	10	ChEMBL_2458783	Inhibition of PKCtheta (unknown origin)
50021624	1	ChEMBL_2458796	Inhibition of Plasmodium falciparum NF54 PKG
50021624	2	ChEMBL_2458798	Inhibition of recombinant Plasmodium vivax Plasmepsin V
50021625	1	ChEMBL_2458799	Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by SPR analysis
50021625	2	ChEMBL_2458801	Inhibition of N-terminal GST-tagged SOS1 (564 to 1049 residues)/N-terminal his6-tagged KRAS (unknown origin) protein-protein interaction incubated for 30 mins by microplate reader analysis
50021625	3	ChEMBL_2458802	Inhibition of SOS1/KRAS G12C mutant (unknown origin)
50021626	1	ChEMBL_2458824	Binding affinity to HTT (unknown origin) assessed as dissociation constant by surface plasmon resonance assay
50021626	2	ChEMBL_2458825	Inhibition of HTT (unknown origin) by ELISA method
50021626	3	ChEMBL_2458828	Inhibition of Caspase-6 activity (unknown origin) by FRET assay
50021626	4	ChEMBL_2458830	Inhibition of EGFP-tagged human AhR expressed in HEK293 cells
50021627	1	ChEMBL_2458831	Inhibition of human recombinant CA I assessed as inhibition constant incubated for 15 min by stopped-flow CO2 hydrase assay method
50021627	2	ChEMBL_2458832	Inhibition of human CA I assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50021627	3	ChEMBL_2458833	Inhibition of human CA II assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50021627	4	ChEMBL_2458834	Inhibition of human CA IX assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50021627	5	ChEMBL_2458835	Inhibition of human CA XII assessed as inhibition constant by stopped-flow CO2 hydrase assay method
50021627	6	ChEMBL_2458836	Inhibition of human recombinant CA II assessed as inhibition constant incubated for 15 mins by stopped-flow CO2 hydrase assay method
50021628	1	ChEMBL_2458843	Inhibition of human EphA2 by FRET assay
50021629	1	ChEMBL_2458924	Inhibition of recombinant human MMP7 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	2	ChEMBL_2458929	Inhibition of recombinant human MMP1 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	3	ChEMBL_2458930	Inhibition of recombinant human MMP2 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	4	ChEMBL_2458931	Inhibition of recombinant human MMP3 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	5	ChEMBL_2458932	Inhibition of recombinant human MMP8 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	6	ChEMBL_2458933	Inhibition of recombinant human MMP9 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	7	ChEMBL_2458934	Inhibition of recombinant human MMP12 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	8	ChEMBL_2458935	Inhibition of recombinant human MMP13 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021629	9	ChEMBL_2458936	Inhibition of recombinant human MMP14 assessed as enzyme activity by measuring fluorescence using fluorogenic peptide substrate
50021630	1	ChEMBL_2458979	Inhibition of LSD1 (unknown origin)
50021630	2	ChEMBL_2458983	Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) using fluorogenic ADHP as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021630	3	ChEMBL_2458984	Inhibition of MAO-B (unknown origin)
50021630	4	ChEMBL_2458986	Inhibition of human recombinant LSD1
50021630	5	ChEMBL_2458990	Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate incubated for 1 hr by fluorescence based analysis
50021630	6	ChEMBL_2458996	Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) measured after 1 hr by fluorescence based analysis
50021630	7	ChEMBL_2458997	Inhibition of HDAC1 (unknown origin) by fluorescence based analysis
50021630	8	ChEMBL_2458998	Inhibition of human recombinant HDAC2 using ArgHisLysLys(Ac) as substrate by fluorescence based analysis
50021630	9	ChEMBL_2458999	Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021630	10	ChEMBL_2459000	Inhibition of human LSD1 by luminescence assay
50021630	11	ChEMBL_2459001	Inhibition of human recombinant HDAC6 expressed in Baculovirus infected Sf9 cells using AMC-K(Ac)GL as substrate incubated for 30 mins by fluorescence based assay
50021630	12	ChEMBL_2459002	Inhibition of human recombinant HDAC8
50021630	13	ChEMBL_2459003	Inhibition of N-terminal His-tagged human LSD1 expressed as Escherichia coli BL21 (DE3) using H3K4me2 peptide as substrate incubated for 45 mins by fluorescence based analysis
50021630	14	ChEMBL_2459004	Inhibition of human BRD4 BD1 by TR-FRET assay
50021630	15	ChEMBL_2459005	Inhibition of human BRD4 BD2 by TR-FRET assay
50021630	16	ChEMBL_2459006	Inhibition of C-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using ART(mK)QTARKSTGGKAPRKQLAGGK-Biotin as substrate
50021630	17	ChEMBL_2459007	Inhibition of N-terminal His-tagged human recombinant BRD2 BD2 expressed in Escherichia coli BL21 (DE3) by Alpha Screen assay
50021630	18	ChEMBL_2459008	Inhibition of BRD3-BD2 (unknown origin) by fluorescence polarization assay
50021630	19	ChEMBL_2459009	Inhibition of recombinant BRD4 (unknown origin) incubated for 120 mins by TR-FRET assay
50021630	20	ChEMBL_2459010	Inhibition of KDM5B (unknown origin)
50021630	21	ChEMBL_2459011	Inhibition of NAE (unknown origin)
50021630	22	ChEMBL_2459012	Inhibition of EZH2 Y641F mutant (unknown origin)
50021630	23	ChEMBL_2459013	Inhibition of VEGFR2 (unknown origin) by caliper mobility shift assay
50021630	24	ChEMBL_2459014	Binding affinity to FLT3 (unknown origin) assessed as dissociation constant
50021630	25	ChEMBL_2459015	Inhibition of 20s constitutive proteasome beta-5c (unknown origin)
50021630	26	ChEMBL_2459016	Inhibition of SMOX (unknown origin) using spermine as substrate preincubated for 1 hr followed by substrate addition and measured after 20 mins by luminometer analysis
50021630	27	ChEMBL_2459019	Inhibition of DCN1 (unknown origin) by TR-FRET analysis
50021630	28	ChEMBL_2459020	Inhibition of HDAC1 (unknown origin)
50021630	29	ChEMBL_2459021	Inhibition of human UTX using Biotin-KAPRKQLATKAARK(me3)SAPATGG as substrate by MALDI-TOF analysis
50021630	30	ChEMBL_2459022	Inhibition of human recombinant LSD1 using fluorogenic ADHP as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence assay
50021630	31	ChEMBL_2459023	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate preincubated for 30 mins followed by substrate addition and measured after 15 mins by fluorescence based assay
50021630	32	ChEMBL_2459024	Inhibition of human recombinant LSD1 by MALDI-TOF enzyme assay
50021630	33	ChEMBL_2459025	Inhibition of recombinant human LSD1/CoREST by SPR analysis
50021630	34	ChEMBL_2459026	Binding affinity to HDAC1 (unknown origin) assessed as inhibition constant
50021630	35	ChEMBL_2459028	Inhibition of human LSD1 expressed in Escherichia coli Rosetta (DE3) cells using H3K4me2 peptide as substrate and measured after 1 hr by fluorescence based analysis
50021631	1	ChEMBL_2459032	Inhibition of ASCT2 in HEK293 cells assessed as reduction in glutamine uptake preincubated for 5 mins followed by substrate addition and measured after 15 mins
50021631	2	ChEMBL_2459033	Inhibition of ASCT2 in human A549 cells assessed as reduction in glutamine uptake preincubated for 5 mins followed by substrate addition and measured after 15 mins
50021632	1	ChEMBL_2459097	Antagonist activity at human wild type alpha9alpha10 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current at 1:1 ratio of protein by two electrode voltage-clamp assay
50021632	2	ChEMBL_2459098	Antagonist activity at human wild type alpha9alpha10 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current at 1:3 ratio of protein by two electrode voltage-clamp assay
50021632	3	ChEMBL_2459104	Antagonist activity at rat wild type alpha9alpha10 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current at 1:1 ratio of protein by two electrode voltage-clamp assay
50021632	4	ChEMBL_2459117	Antagonist activity at human alpha7 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two electrode voltage-clamp assay
50021632	5	ChEMBL_2459131	Inhibition of human Cav2.2 channel transfected in HEK293T cells assessed as inhibition of Cav2.2-mediated Ba2+ current measured for 3 to 5 days by whole-cell patch clamp assay
50021632	6	ChEMBL_2459149	Antagonist activity at rat alpha9alpha10 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by voltage-clamp assay
50021632	7	ChEMBL_2459150	Antagonist activity at human alpha9alpha10 nAChR expressed in acetylcholine-induced Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two electrode voltage-clamp assay
50021632	8	ChEMBL_2459151	Inhibition of human Cav2.2 channel transfected in HEK293T cells co-expressed with human GABAB receptor assessed as inhibition of Cav2.2-mediated Ba2+ current measured for 3 to 5 days by whole-cell patch clamp assay
50021633	1	ChEMBL_2459184	Inhibition of biotinylated recombinant Cbl-b (36 to 427 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) Tuner cells using a FAM-labeled probe by TR-FRET assay
50021633	2	ChEMBL_2459185	Inhibition of cCbl (unknown origin) by TR-FRET assay
50021633	3	ChEMBL_2459191	Inhibition of Cbl-b in CD3/CD28-stimulated human T cells assessed as increase in PLC-gamma1 phosphorylation at Tyr783 preincubated for 15 mins followed by CD3/CD28 stimulation measured after 1 hr by Western blot analysis
50021633	4	ChEMBL_2459194	Inhibition of biotinylated recombinant Cbl-b (36 to 427 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) Tuner cells assessed as decrease in Cbl-b auto-ubiquitination incubated for 60 mins in presence of Ub-FITC/ATP by TR-FRET assay
50021633	5	ChEMBL_2459195	Inhibition of biotinylated recombinant Cbl-b (36 to 427 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) Tuner cells assessed as decrease in ZAP70 ubiquitination incubated for 60 mins in presence of Ub-FITC/ATP by TR-FRET assay
50021634	1	ChEMBL_2459210	Inhibition of TRKA (unknown origin) by ELISA
50021634	2	ChEMBL_2459299	Inhibition of human TrkB by Eurofins kinase assay
50021634	3	ChEMBL_2459300	Inhibition of human TrkC by Eurofins kinase assay
50021635	1	ChEMBL_2459327	Inhibition of Gal4-fused RORgamma LBD (unknown origin) expressed in HEK293T cells incubated for 48 hrs by luciferase based assay
50021635	2	ChEMBL_2459328	Inhibition of Gal4-fused RORgamma LBD (unknown origin) expressed in HEK293T cells incubated for 24 hrs by luciferase based assay
50021636	1	ChEMBL_2459378	Inhibition of N-terminal GST fused wild type human BRAF (433 to 726 residues) expressed in Sf21 insect cells using MEK1 as substrate incubated for 90 mins by ADP-Glo assay
50021636	2	ChEMBL_2459386	Inhibition of ARAF (unknown origin) by ADP-Glo assay
50021636	3	ChEMBL_2459387	Inhibition of CRAF (unknown origin) by ADP-Glo assay
50021636	4	ChEMBL_2459390	Inhibition of wild type DDR1 (unknown origin) at in presence of ATP by hotspot kinase assay
50021637	1	ChEMBL_2459453	Binding affinity to Mycobacterium tuberculosis DprE1 assessed as dissociation constant by biolayer interferometry
50021638	1	ChEMBL_2459470	Inhibition of recombinant human sEH using PHOME as substrate preincubated for 10 mins followed by substrate addition by fluorescence based assay
50021638	2	ChEMBL_2459471	Inhibition of recombinant mouse sEH using PHOME as substrate preincubated for 10 mins followed by substrate addition by fluorescence based assay
50021638	3	ChEMBL_2459474	Inhibition of recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021638	4	ChEMBL_2459475	Inhibition of recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021638	5	ChEMBL_2459476	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021638	6	ChEMBL_2459477	Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021638	7	ChEMBL_2459478	Inhibition of recombinant human HDAC8 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021638	8	ChEMBL_2459479	Inhibition of recombinant human HDAC11 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence based assay
50021639	1	ChEMBL_2459533	Partial agonist activity at recombinant human RXR alpha LBD (223 to 462 residues) expressed in Escherichia coli Rosetta incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50021639	2	ChEMBL_2459534	Partial agonist activity at recombinant human RXR beta LBD (298 to 533 residues) expressed in Escherichia coli Rosetta incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50021639	3	ChEMBL_2459535	Partial agonist activity at recombinant human RXR gamma LBD (233 to 463 residues) expressed in Escherichia coli Rosetta incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50021639	4	ChEMBL_2459546	Partial agonist activity at full length human RXR beta transfected in HEK293T cells assessed as DR1 activation incubated for 16 hrs by Dual-glo luciferase assay
50021639	5	ChEMBL_2459548	Binding affinity to recombinant human RXR beta LBD (298 to 533 residues) expressed in Escherichia coli Rosetta assessed as dissociation constant by ITC method
50021641	1	ChEMBL_2459569	Inhibition of human recombinant MAGL (1 to 303 residues) expressed in human HeLa cells using 2-arachidonoylglycerol as substrate preincubated with compound for 20 mins followed by substrate addition and measured after 20 mins by scintillation counting analysis
50021641	2	ChEMBL_2459570	Inhibition of rat MAGL expressed in human HeLa cells using 2-arachidonoylglycerol as substrate preincubated with compound for 20 mins followed by substrate addition and measured after 30 mins by scintillation counting analysis
50021641	3	ChEMBL_2459571	Inhibition of human FAAH using N-arachidonoyl[14-C]-ethanolamine as substrate preincubated with compound for 20 mins followed by substrate addition and measured after 20 mins by scintillation counting analysis
50021641	4	ChEMBL_2459572	Inhibition of rat FAAH
50021641	5	ChEMBL_2459573	Inhibition of human recombinant MAGL (1 to 303 residues) expressed in human COS7 cells using 2-arachidonoylglycerol as substrate preincubated with compound for 20 mins followed by substrate addition by scintillation counting analysis
50021641	6	ChEMBL_2459574	Inhibition of mouse MAGL using arachidonic acid as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 15 mins by mass spectrometry analysis
50021641	7	ChEMBL_2459575	Inhibition of human MAGL
50021641	8	ChEMBL_2459576	Inhibition of rat MAGL
50021642	1	ChEMBL_2459612	Inhibition of human STS-1 HP domain (369 to 636 residues) phosphatase activity expressed in Escherichia coli BL21 (DE3) using pNPP as substrate preincubated for 20 mins followed by substrate addition by absorbance based spectrophotometric analysis
50021642	2	ChEMBL_2459613	Inhibition of human STS-1 HP domain (369 to 636 residues) phosphatase activity expressed in Escherichia coli BL21 (DE3) using OMFP as substrate preincubated for 20 mins followed by substrate addition by fluorescence based spectrophotometric analysis
50021642	3	ChEMBL_2459614	Inhibition of human STS-1 HP domain (369 to 636 residues) phosphatase activity expressed in Escherichia coli BL21 (DE3) using DiFMUP as substrate preincubated for 20 mins followed by substrate addition by fluorescence based spectrophotometric analysis
50021642	4	ChEMBL_2459615	Competitive inhibition of human STS-1 HP domain (369 to 636 residues) phosphatase activity expressed in Escherichia coli BL21 (DE3) using pNPP as substrate assessed as inhibition constant preincubated for 20 mins followed by substrate addition by Lineweaver-Burk plot analysis
50021642	5	ChEMBL_2459616	Competitive inhibition of human STS-1 HP domain (369 to 636 residues) phosphatase activity expressed in Escherichia coli BL21 (DE3) using DiFMUP as substrate assessed as inhibition constant preincubated for 20 mins followed by substrate addition by Lineweaver-Burk plot analysis
50021643	1	ChEMBL_2459630	Inhibition of N-terminal His-tagged recombinant human Sirt4 (25 to 314 residues) expressed in Escherichia coli CodonPlus(DE3) cells using Fluo-HMG-Lys as substrate preincubated for 20 mins followed by NAM addition and measured after 45 mins in presence of NAD+ by fluorescence based assay
50021643	2	ChEMBL_2459658	Inhibition of N-terminal 6His-tagged human Sirt4 (25 to 314 residues) expressed in Escherichia coli CodonPlus(DE3) cells using HMG-FdL as substrate at 100 uM preincubated for 20 mins followed by NAM addition and measured after 45 mins in presence of NAD+ by fluorescence based assay relative to control
50021644	1	ChEMBL_2459676	Inhibition of HDAC1 (unknown origin)
50021644	2	ChEMBL_2459677	Inhibition of HDAC2 (unknown origin)
50021644	3	ChEMBL_2459678	Inhibition of HDAC3 (unknown origin)
50021644	4	ChEMBL_2459679	Inhibition of HDAC8 (unknown origin)
50021644	5	ChEMBL_2459680	Inhibition of HDAC4 (unknown origin)
50021644	6	ChEMBL_2459681	Inhibition of HDAC5 (unknown origin)
50021644	7	ChEMBL_2459682	Inhibition of HDAC7 (unknown origin)
50021644	8	ChEMBL_2459683	Inhibition of HDAC9 (unknown origin)
50021644	9	ChEMBL_2459684	Inhibition of HDAC6 (unknown origin)
50021644	10	ChEMBL_2459685	Inhibition of HDAC10 (unknown origin)
50021644	11	ChEMBL_2459686	Inhibition of PLK1 (unknown origin)
50021644	12	ChEMBL_2459687	Inhibition of HDAC11 (unknown origin)
50021645	1	ChEMBL_2459768	Inhibition of human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrate
50021645	2	ChEMBL_2459782	Mixed type of inhibition at human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrate
50021645	3	ChEMBL_2459783	Competitive type of inhibition at human recombinant CES2 activity assessed as fluorescence of the AP product using Benz-AP as substrate
50021646	1	ChEMBL_2459852	Inhibition of wild type FGFR1 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	2	ChEMBL_2459853	Inhibition of wild type FGFR2 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	3	ChEMBL_2459854	Inhibition of FGFR2 N549H mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	4	ChEMBL_2459855	Inhibition of FGFR2 V564F mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	5	ChEMBL_2459856	Inhibition of wild type FGFR3 (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	6	ChEMBL_2459857	Inhibition of FGFR3 V555M mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021646	7	ChEMBL_2459858	Inhibition of FGFR3 K650M mutant (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 peptide as fluorogenic substrate incubated for 80 mins in presence of ATP by fluorescence-based microfluidic mobility shift assay
50021648	1	ChEMBL_2459990	Binding affinity to TEV cleavable N-terminal 6xHN/ C-terminal Avi-tagged biotinylated human TSLP (29 to 159 residues) transfected in human Expi293F cells assessed as dissociation constant by SPR analysis
50021649	1	ChEMBL_2460027	Displacement of ART-P1 from heme-free recombinant mPGES-2 (unknown origin) assessed as inhibition of ART-P1 binding to mPGES-2 incubated for 1 hr followed by ART-P1 addition for 30 mins by competitive labeling gel fluorescence assay
50021649	2	ChEMBL_2460049	Inhibition of heme-free recombinant mPGES-2 (unknown origin) pre-incubated with compound for 15 mins followed by PGH2 addition measured after 1 min by ELISA
50021649	3	ChEMBL_2460050	Inhibition of heme-free recombinant mPGES-2 (unknown origin) pre-incubated with compound for 15 mins followed by PGH2 addition measured after 5 min by ELISA
50021649	4	ChEMBL_2460051	Inhibition of heme-free recombinant mPGES-2 (unknown origin) pre-incubated with compound for 15 mins followed by PGH2 addition measured after 10 min by ELISA
50021649	5	ChEMBL_2460052	Inhibition of heme-free recombinant mPGES-2 (unknown origin) pre-incubated with compound for 15 mins followed by PGH2 addition measured after 60 min by ELISA
50021649	6	ChEMBL_2460069	Binding affinity to human mPGES-2 (1 to 87 residues) assessed as dissociation constant
50021649	7	ChEMBL_2460070	Inhibition of heme-free recombinant mPGES-2 (unknown origin) pre-incubated with compound for 15 mins followed by PGH2 addition measured after 30 min by ELISA
50021651	1	ChEMBL_2460167	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction expressed in HEK293 cells by HTRF method
50021651	2	ChEMBL_2460172	Binding affinity to N-terminal His-tagged wild type human STING CTD (139 to 37 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by NMR analysis
50021651	3	ChEMBL_2460173	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 1 hr by HTRF assay
50021651	4	ChEMBL_2460174	Inhibition of PD-1/PD-L1 (unknown origin) interaction expressed in human HEK293T cells by HTRF analysis
50021653	1	ChEMBL_2460192	Inhibition of FGFR1 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	2	ChEMBL_2460193	Inhibition of FGFR2 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	3	ChEMBL_2460194	Inhibition of FGFR3 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	4	ChEMBL_2460195	Inhibition of FGFR4 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	5	ChEMBL_2460196	Inhibition of EGFR (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	6	ChEMBL_2460197	Inhibition of PDGFRalpha (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	7	ChEMBL_2460198	Inhibition of SRC (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	8	ChEMBL_2460199	Inhibition of DDR2 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	9	ChEMBL_2460200	Inhibition of ABL (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	10	ChEMBL_2460201	Inhibition of VEGFR1 (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021653	11	ChEMBL_2460202	Inhibition of KDR (unknown origin) using FAM-P22 peptide as substrate preincubated with compound for 10 mins followed by substrate addition and ATP measured after 60 mins by fluorescence-based microfluidic mobility shift assay
50021654	1	ChEMBL_2460257	Binding affinity to NF-kappaB p65 in mouse RAW264.7 cells assessed as dissociation constant by SPR analysis
50021655	1	ChEMBL_2460276	Inhibition of MNK2 (unknown origin) incubated for 60 mins in presence of ATP by HTRF assay
50021655	2	ChEMBL_2460277	Inhibition of MNK1 (unknown origin) incubated for 60 mins in presence of ATP by HTRF assay
50021656	1	ChEMBL_2460348	Inhibition of human EGFR L858R/T790M mutant (695 to 10121 residues) expressed in Sf9 cells by ELISA method
50021656	2	ChEMBL_2460349	Inhibition of ACK1 (unknown origin) by ELISA method
50021656	3	ChEMBL_2460394	Inhibition of EGFR L858R/T790M mutant (unknown origin) incubated for 1 hr in presence of ATP by caliper mobility shift assay
50021656	4	ChEMBL_2460395	Inhibition of EGFR (unknown origin) incubated for 1 hr in presence of ATP by caliper mobility shift assay
50021656	5	ChEMBL_2460396	Inhibition of FGFR1 (unknown origin) incubated for 1 hr in presence of ATP by caliper mobility shift assay
50021656	6	ChEMBL_2460397	Inhibition of ACK1 (unknown origin)
50021656	7	ChEMBL_2460398	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50021656	8	ChEMBL_2460399	Inhibition of wild type EGFR (unknown origin)
50021657	1	ChEMBL_2460402	Inhibition of human recombinant CITK kinase domain assessed as phosphorylation of substrate ULight-ARTKQTARKSTGGKAPRICQLAGC measured after 30 mins by LANCE TR-FRET assay
50021657	2	ChEMBL_2460430	Inhibition of human AAK1 incubated for 120 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	3	ChEMBL_2460431	Inhibition of human BIKE incubated for 120 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	4	ChEMBL_2460432	Inhibition of human full length recombinant MNK2 incubated for 120 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	5	ChEMBL_2460433	Inhibition of human full length recombinant HIPK4 using RRRFRPASPLRGP as substrate incubated for 120 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	6	ChEMBL_2460434	Inhibition of human ACK1 (1 to 389) using EFPIYDFLPAKKK as substrate incubated for 40 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	7	ChEMBL_2460435	Inhibition of human full length recombinant DARK2 using KKRPQRRYSNVF as substrate incubated for 120 mins by [33P]-gammaATP based Radiometric scintillation counting analysis
50021657	8	ChEMBL_2460442	Binding affinity to NanoLuc fused-CITK kinase domain (unknown origin) expressed in HEK293T cells assessed as dissociation constant NanoBRET Target Engagement Intracellular Kinase Assay
50021657	9	ChEMBL_2460443	Binding affinity to NanoLuc fused-CITK (unknown origin) expressed in HEK293T cells assessed as dissociation constant NanoBRET Target Engagement Intracellular Kinase Assay
50021660	1	ChEMBL_2460525	Inhibition of recombinant human MAO-A incubated for 15 mins by Amplex Red reagent and horseradish peroxidase based fluorescence microplate reader analysis
50021660	2	ChEMBL_2460527	Inhibition of recombinant human MAO-B using benzylamine as substrate incubated for 20 mins by fluorescence microplate reader analysis
50021660	3	ChEMBL_2460552	Inhibition of recombinant human MAO-B
50021661	1	ChEMBL_2460577	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method
50021661	2	ChEMBL_2460580	Inhibition of electric eel AChE using ATCh as substrate preincubated for 1 hr followed by substrate addition by spectrophotometric analysis
50021661	3	ChEMBL_2460582	Inhibition of AChE (unknown origin)
50021662	1	ChEMBL_2460583	Inhibition of human carbonic anhydrase I assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021662	2	ChEMBL_2460584	Inhibition of human carbonic anhydrase II assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021662	3	ChEMBL_2460585	Inhibition of recombinant human carbonic anhydrase VII assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021662	4	ChEMBL_2460586	Inhibition of recombinant human carbonic anhydrase IX assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021662	5	ChEMBL_2460587	Inhibition of recombinant human carbonic anhydrase XII assessed as inhibition constant incubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021663	1	ChEMBL_2460594	Inhibition of human MARK4 expressed in Escherichia coli preincubated for 1 hr followed by ATP addition and measured after 30 mins by colorimetric assay
50021664	1	ChEMBL_2460616	Inhibition of PLK1 (unknown origin) (37 to 345 residues) expressed in Escherichia coli BL21 (DE3) incubated for 18 hrs by fluorescence polarization assay
50021664	2	ChEMBL_2460617	Binding affinity to PDEdelta (unknown origin) assessed as dissociation constant incubated for overnight by fluorescence polarization assay
50021665	1	ChEMBL_2460619	Inhibition of HDAC1 (unknown origin)
50021665	2	ChEMBL_2460620	Inhibition of HDAC2 (unknown origin)
50021665	3	ChEMBL_2460621	Inhibition of HDAC3 (unknown origin)
50021665	4	ChEMBL_2460622	Inhibition of HDAC8 (unknown origin)
50021665	5	ChEMBL_2460624	Inhibition of HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate measured after 30 mins by fluorescence assay
50021666	1	ChEMBL_2460667	Inhibition of human Neutrophil elastase
50021668	1	ChEMBL_2460766	Inhibition of human recombinant HDAC1 using Ac-RHKK(Acetyl)-AMC peptide as fluorogenic substrate pre-incubated for 30 mins followed by substrate addition and measured for 60 mins by fluorescence based analysis
50021668	2	ChEMBL_2460767	Inhibition of human recombinant HDAC2 using Ac-RHKK(Acetyl)-AMC peptide as fluorogenic substrate pre-incubated for 30 mins followed by substrate addition and measured for 60 mins by fluorescence based analysis
50021668	3	ChEMBL_2460768	Inhibition of human recombinant HDAC3 using Ac-RHKK(Acetyl)-AMC peptide as fluorogenic substrate pre-incubated for 30 mins followed by substrate addition and measured for 60 mins by fluorescence based analysis
50021668	4	ChEMBL_2460769	Inhibition of HDAC8 (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence based assay
50021668	5	ChEMBL_2460770	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence based assay
50021668	6	ChEMBL_2460771	Inhibition of HDAC1 (unknown origin) using ZMAL (Z-Lys(Ac)-AMC as fluorogenic substrate pre-incubated for 30 mins measured for 1 hr by fluorescence based analysis
50021668	7	ChEMBL_2460772	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate by fluorescence assay
50021668	8	ChEMBL_2460773	Inhibition of human HDAC8 using Boc-Lys (Ac)-AMC as substrate incubated for 60 mins by fluorimetric assay
50021668	9	ChEMBL_2460774	Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate pre-incubated foe 30 mins followed by substrate addition measured for 1 hrs by fluorescence based assay
50021668	10	ChEMBL_2460775	Inhibition of human recombinant His-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) using ArgHisLysLys(Ac) as substrate pre-incubated for 1 hr and measured after 1 hr by fluorescence based analysis
50021668	11	ChEMBL_2460776	Inhibition of human recombinant HDAC8 using Boc-Lys(acetyl)-AMC as substrate pre-incubated for 30 mins followed by substrate addition measured for 1 hrs by fluorescence based analysis
50021668	12	ChEMBL_2460777	Inhibition of HDAC3 (unknown origin) using biotinylated histone H3 KAc peptide as substrate pretreated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis by HTRF assay
50021668	13	ChEMBL_2460778	Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate pre-treated for 1 hr followed by substrate addition and measured for 1 hr by fluorescence based assay
50021668	14	ChEMBL_2460779	Inhibition of BRD4 BD1 (unknown origin) incubated for 15 mins by TR-FRET analysis
50021668	15	ChEMBL_2460780	Inhibition of HDAC in human HeLa cells nuclear extract incubated for 30 mins by multiplate reader analysis
50021668	16	ChEMBL_2460781	Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay
50021668	17	ChEMBL_2460782	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50021668	18	ChEMBL_2460783	Inhibition of VEGFR2 (unknown origin) expressed in baculovirus infected insect cells using biotinylated-GGGGQDGKDYIVLPI peptide as substrate incubated for 1 to 4 hrs by TR-FRET assay
50021668	19	ChEMBL_2460785	Inhibition of HDAC3 (unknown origin)
50021668	20	ChEMBL_2460786	Inhibition of HDAC1 (unknown origin)
50021668	21	ChEMBL_2460787	Inhibition of VEGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate measured after 1 hr in presence of ATP by spectrophotometric analysis
50021668	22	ChEMBL_2460788	Inhibition of VEGFR1 (unknown origin)
50021668	23	ChEMBL_2460789	Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay
50021668	24	ChEMBL_2460790	Inhibition of HDAC6 (unknown origin) using biotinylated histone H3 KAc peptide (1 to 21 residues) as substrate by HTRF assay
50021668	25	ChEMBL_2460792	Inhibition of human recombinant LSD1 using histone H3 1-21K4me as substrate incubated for 1 hr by fluorescence based analysis
50021668	26	ChEMBL_2460793	Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 using HDAC as fluorogenic substrate incubated for 30 mins by dual fluorescence assay
50021668	27	ChEMBL_2460794	Inhibition of human HDAC6 expressed in baculovirus expression system in Sf9 cells using RHKKAc fluorogenic peptide as substrate and measured after 2 hrs by fluorescence based analysis
50021668	28	ChEMBL_2460795	Inhibition of CDK4 (unknown origin)
50021668	29	ChEMBL_2460796	Inhibition of human HDAC6 using Boc-Lys (acetyl)-AMC as substrate pre-incubated with compound for 1 hrs followed by substrate addition measured after 1 hrs by microplate reader analysis
50021668	30	ChEMBL_2460805	Inhibition of HDAC6 (unknown origin)
50021669	1	ChEMBL_2460888	Inhibition of human recombinant Aha1 expressed in Escherichia coli BL21 (DE3)
50021670	1	ChEMBL_2460895	Agonist activity at N-terminal His-tagged ERRalpha (unknown origin) (145 to 423 residues) using fluor-ILRKLLQE as substrate by Fluorescence polarization assay
50021671	1	ChEMBL_2460897	Inhibition of caspase-1 (unknown origin) by fluorescence based analysis
50021671	2	ChEMBL_2460898	Inhibition of caspase-3 (unknown origin) by fluorescence based analysis
50021671	3	ChEMBL_2460899	Inhibition of caspase-8 (unknown origin) by fluorescence based analysis
50021671	4	ChEMBL_2460903	Binding affinity to Interleukin-1beta (unknown origin) assessed as inhibition constant
50021671	5	ChEMBL_2460904	Inhibition of Caspase-1 (unknown origin)
50021671	6	ChEMBL_2460905	Binding affinity to caspase-1 (unknown origin) assessed as inhibition constant
50021671	7	ChEMBL_2460906	Binding affinity to human caspase-1 assessed as apparent inhibition constant
50021671	8	ChEMBL_2460907	Binding affinity to Caspase-8 (unknown origin) using Ac-IETD-AFC as substrate assessed as inhibition constant
50021671	9	ChEMBL_2460908	Inhibition of mouse Caspase-1
50021671	10	ChEMBL_2460909	Binding affinity to N-terminal His-tagged Caspase-1 (unknown origin) assessed as inhibition constant
50021671	11	ChEMBL_2460910	Inhibition of N-terminal His-tagged Caspase-1 (unknown origin)
50021671	12	ChEMBL_2460911	Inhibition of caspase-1 (unknown origin) using Ac-Tyr-Val-Ala-Asp-AFC as fluorogenic substrate by fluorescence based analysis
50021671	13	ChEMBL_2460913	Inhibition of Interleukin-1beta-converting enzyme (unknown origin)
50021673	1	ChEMBL_2460914	Antagonist activity at human P2X7 receptor
50021673	2	ChEMBL_2460916	Antagonist activity at human P2X7 receptor expressed in U-251 cells by FLIPR assay
50021673	3	ChEMBL_2460917	Antagonist activity at rat P2X7 receptor by calcium flux assay
50021675	1	ChEMBL_2460920	Inhibition of COX-2 (unknown origin) by Enzyme immune assay
50021675	2	ChEMBL_2460925	Inhibition of soybean LOX-1 using linoleic acid as substrate
50021675	3	ChEMBL_2460932	Inhibition of COX-2 (unknown origin)
50021675	4	ChEMBL_2460933	Inhibition of human 15-LOX
50021675	5	ChEMBL_2460934	Inhibition of human recombinant COX-2
50021675	6	ChEMBL_2460935	Inhibition of ovine COX-1
50021675	7	ChEMBL_2460936	Inhibition of human COX-2
50021675	8	ChEMBL_2460938	Inhibition of 5-LOX in human PMNL cells
50021675	9	ChEMBL_2460939	Inhibition of recombinant human carbonic anhydrase II incubated for 30 mins by spectrophotometric analysis
50021676	1	ChEMBL_2460953	Inhibition of mouse nNOS
50021676	2	ChEMBL_2460954	Inhibition of rat iNOS
50021676	3	ChEMBL_2460955	Inhibition of bovine eNOS
50021676	4	ChEMBL_2460956	Inhibition of rat cerebellum nNOS
50021676	5	ChEMBL_2460957	Inhibition of human Endothelial cells eNOS
50021676	6	ChEMBL_2460958	Inhibition of mouse iNOS in RAW264.7 cells
50021676	7	ChEMBL_2460962	Binding affinity to nNOS (unknown origin) assessed as inhibition constant
50021676	8	ChEMBL_2460963	Binding affinity to iNOS (unknown origin) assessed as inhibition constant
50021676	9	ChEMBL_2460964	Binding affinity to eNOS (unknown origin) assessed as inhibition constant
50021676	10	ChEMBL_2460965	Binding affinity to human iNOS assessed as dissociation constant
50021676	11	ChEMBL_2460966	Binding affinity to human nNOS assessed as inhibition constant
50021676	12	ChEMBL_2460967	Binding affinity to human eNOS assessed as inhibition constant
50021677	1	ChEMBL_2461019	Binding affinity to human BRD4 BD1 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by bromodomain analysis
50021677	2	ChEMBL_2461020	Binding affinity to human BRD4 BD2 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by bromodomain analysis
50021677	3	ChEMBL_2461023	Binding affinity to human BRD4 BD1 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50021677	4	ChEMBL_2461024	Binding affinity to human BRD4 BD2 expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis
50021677	5	ChEMBL_2461025	Binding affinity to human BRD4 BD1 expressed in Escherichia coli BL21 (DE3) by TR-FRET analysis
50021677	6	ChEMBL_2461026	Binding affinity to human BRD4 BD2 expressed in Escherichia coli BL21 (DE3) by TR-FRET analysis
50021677	7	ChEMBL_2461037	Binding affinity to human BRD2 assessed as dissociation constant by ITC analysis
50021677	8	ChEMBL_2461038	Binding affinity to human BRD3 assessed as dissociation constant by ITC analysis
50021677	9	ChEMBL_2461039	Binding affinity to human BRDT assessed as dissociation constant by ITC analysis
50021677	10	ChEMBL_2461040	Inhibition of human BRD2
50021677	11	ChEMBL_2461041	Inhibition of human BRD3
50021677	12	ChEMBL_2461042	Inhibition of human BRDT
50021677	13	ChEMBL_2461043	Inhibition of human BRD4 BD1 (44 to 460 residues) by Alphascreen assay
50021677	14	ChEMBL_2461044	Inhibition of human BRD4 BD2 (44 to 460 residues) by Alphascreen assay
50021678	1	ChEMBL_2461067	Inhibition of c-MET (unknown origin) phosphorylation
50021678	2	ChEMBL_2461068	Inhibition of AXL (unknown origin) phosphorylation
50021678	3	ChEMBL_2461069	Inhibition of c-MET (unknown origin)
50021678	4	ChEMBL_2461070	Inhibition of AXL (unknown origin)
50021678	5	ChEMBL_2461071	Inhibition of recombinant AXL (unknown origin) by FRET based Z'-LYTE assay
50021678	6	ChEMBL_2461072	Inhibition of recombinant MET (unknown origin)
50021678	7	ChEMBL_2461073	Inhibition of recombinant VEGFR-2 (unknown origin)
50021679	1	ChEMBL_2461132	Agonist activity at GAL4-tagged human PPARalpha transfected in african green monkey COS7 cells assessed transcriptional activation incubated for 24 hrs by luciferase assay
50021679	2	ChEMBL_2461133	Agonist activity at GAL4-tagged human PPARbeta/delta transfected in african green monkey COS7 cells assessed transcriptional activation incubated for 24 hrs by luciferase assay
50021679	3	ChEMBL_2461134	Agonist activity at human PPARgamma transfected in african green monkey COS7 cells assessed transcriptional activation incubated for 24 hrs by luciferase assay
50021680	1	ChEMBL_2461162	Inhibition of C57BL/6J mouse brain sEH using 14,15-EET as substrate preincubated for 15 mins followed by substrate addition by LC-MS analysis
50021680	2	ChEMBL_2461178	Inhibition of full length human sEH (1 to 555 residues) using 14,15-EET as substrate preincubated for 15 mins followed by substrate addition by LC-MS analysis
50021681	1	ChEMBL_2461268	Inhibition of human AChE by spectrophotometric Ellman's method
50021681	2	ChEMBL_2461269	Inhibition of human BChE by spectrophotometric Ellman's method
50021681	3	ChEMBL_2461271	Inhibition of recombinant wild type human GluN1/GluN2A receptor expressed in HEK293 cells assessed as reduction in glutamate induced current at -60 mV holding potential by electrophysiology assay
50021681	4	ChEMBL_2461272	Inhibition of recombinant wild type human GluN1/GluN2B receptor expressed in HEK293 cells assessed as reduction in glutamate induced current at -60 mV holding potential by electrophysiology assay
50021681	5	ChEMBL_2461278	Inhibition of recombinant wild type human GluN1/GluN2A receptor expressed in HEK293 cells assessed as reduction in glutamate induced current at -40 mV holding potential by electrophysiology assay
50021681	6	ChEMBL_2461279	Inhibition of recombinant wild type human GluN1/GluN2B receptor expressed in HEK293 cells assessed as reduction in glutamate induced current at -40 mV holding potential by electrophysiology assay
50021682	1	ChEMBL_2461307	Inhibition of ovine COX-1 by colorimetric assay
50021682	2	ChEMBL_2461308	Inhibition of human COX-2 by colorimetric assay
50021682	3	ChEMBL_2461310	Inhibition of human mPGE2S1 using PGH2 as substrate measured after 5 mins by ELISA method
50021683	1	ChEMBL_2461326	Inhibition of ovine COX-1 by colorimetric assay
50021683	2	ChEMBL_2461328	Inhibition of human COX-2 by colorimetric assay
50021683	3	ChEMBL_2461338	Inhibition of ovine COX-1 measured after 5 mins by absorbance based analysis
50021683	4	ChEMBL_2461339	Inhibition of recombinant human COX-2 measured after 5 mins by absorbance based analysis
50021683	5	ChEMBL_2461340	Inhibition of COX-1 (unknown origin)
50021683	6	ChEMBL_2461341	Inhibition of COX-2 (unknown origin)
50021683	7	ChEMBL_2461344	Inhibition of ovine COX-1
50021683	8	ChEMBL_2461345	Inhibition of human COX-2
50021684	1	ChEMBL_2461346	Inhibition of recombinant SARS-CoV-2 main protease using DABCYL-KTSAVLQSGFRKME-EDANS as fluorescent substrate preincubated for 30 mins followed by substrate addition by FRET assay
50021684	2	ChEMBL_2461347	Inhibition of Cathepsin L (unknown origin) using Z-Leu-Arg-AMC fluorometric dipeptide as substrate peincubated for 10 mins followed by substrate addition by fluorescence based assay
50021685	1	ChEMBL_2461368	Binding affinity to 6His/GFP-tagged ULK1 kinase domain (1 to 283 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells assessed as dissociation constant incubated for 5 mins by MST analysis
50021686	1	ChEMBL_2461459	Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate incubated for 0.5 hrs
50021686	2	ChEMBL_2461460	Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as substrate incubated for 0.5 hrs
50021687	1	ChEMBL_2461473	Inhibition of yeast Alpha glucosidase 4-nitrophenyl-alpha-D-glucopyranoside incubated for 15 to 20 mins by Bio-rad microplate reader analysis
50021687	2	ChEMBL_2461474	Inhibition of porcine pancreatic Alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by Bio-rad microplate reader analysis
50021687	3	ChEMBL_2461478	Inhibition of Alpha-amylase (unknown origin)
50021688	1	ChEMBL_2461623	Inhibition of PARP7 (unknown origin) incubated for 1 hr by chemiluminescence based microplate reader assay
50021688	2	ChEMBL_2461624	Inhibition of PARP2 (unknown origin)
50021688	3	ChEMBL_2461627	Inhibition of PARP1 (unknown origin)
50021688	4	ChEMBL_2461628	Inhibition of PARP11 (unknown origin)
50021688	5	ChEMBL_2461629	Inhibition of PARP12 (unknown origin)
50021688	6	ChEMBL_2461630	Inhibition of PARP14 (unknown origin)
50021689	1	ChEMBL_2461737	Inhibition of human Cathepsin D using MCA labeled GKPILFFRLK(DNP)-D-R-NH2 as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50021690	1	ChEMBL_2461858	Inhibition of PRMT5 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	2	ChEMBL_2461866	Inhibition of PRMT1 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	3	ChEMBL_2461867	Inhibition of PRMT4 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	4	ChEMBL_2461868	Inhibition of PRMT8 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	5	ChEMBL_2461869	Inhibition of NSD2 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	6	ChEMBL_2461870	Inhibition of NSD3 methyltransferase activity (unknown origin) using histone H4/SAM as substrate incubated for 80 mins by AlphaLISA assay
50021690	7	ChEMBL_2461871	Inhibition of EZH2 (unknown origin) using SAM and peptide substrate by HTRF assay
50021691	1	ChEMBL_2461916	Inhibition of human ATR/ATRIP complex using GST-cMyc-p53 substrate measured after 30 mins by HTRF based non-radioactive in vitro assay
50021693	1	ChEMBL_2461939	Antagonist activity at human TRPV1 receptor assessed as inhibition of TRPV1 channel activation by calcium uptake assay
50021693	2	ChEMBL_2461940	Inhibition of human FAAH by fluorescence-based cayman assay
50021694	1	ChEMBL_2461957	Inhibition of N-terminal hexa-histidine tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using HiLyte Fluor 488TM-ESATLQSGLRKAK-QXL520TM-NH2 as substrate by FRET assay
50021694	2	ChEMBL_2461959	Inhibition of SARS-CoV-2 main protease using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 20 mins by FRET assay
50021695	1	ChEMBL_2462072	Binding affinity to human N-terminal eGFP-tagged CHRM1 expressed in HEK293T cells assessed as dissociation constant incubated for 10 mins by microscale thermophoresis assay
50021696	1	ChEMBL_2462379	Binding affinity to PGK1 (unknown origin) exogenously expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50021698	1	ChEMBL_2462410	Binding affinity to GST-tagged HIF-2alpha PASB domain (unknown origin) (240 to 350 residues) assessed as dissociation constant by biolayer interferometry
50021698	2	ChEMBL_2462411	Agonist activity at HIF-2alpha in human 786-0 cells assessed as increase in VEGF secretion incubated for 20 hrs by ELISA
50021699	1	ChEMBL_2462434	Positive allosteric modulation of human alpha7 nAChR expressed in xenopus laevis oocytes assessed as increase in acetylcholine induced channel current amplitude at -90 mV holding potential measured after 24 to 72 hrs by two-electrode voltage clamp recording method
50021699	2	ChEMBL_2462467	Positive allosteric modulation of rat alpha7 nAChR expressed in xenopus laevis oocytes assessed as potentiation of acetylcholine induced channel activation by two-electrode voltage clamp recording method
50021699	3	ChEMBL_2462477	Positive allosteric modulation of human alpha7 nAChR expressed in xenopus laevis oocytes assessed as potentiation of acetylcholine induced channel current amplitude by measuring acetylcholine EC50 at 10 uM preincubated for 2 mins followed by co-application with acetylcholine for 20 sec by two-electrode voltage clamp recording method (Rvb = 270.14 +/- 75.06 uM)
50021699	4	ChEMBL_2462482	Type-1 positive allosteric modulation of human alpha7 nAChR expressed in xenopus laevis oocytes assessed as increase in acetylcholine induced channel current amplitude at -60 mV holding potential preincubated for 60 secs followed by acetylcholine addition for 1 sec by two-electrode voltage clamp recording method
50021699	5	ChEMBL_2462483	Type-1 positive allosteric modulation of wild type human alpha7 nAChR expressed in xenopus laevis oocytes assessed as increase in acetylcholine induced channel current amplitude at -70 mV holding potential by two-electrode voltage clamp recording method
50021699	6	ChEMBL_2462484	Type-II positive allosteric modulation of alpha7 nAChR in human IMR-32 cells assessed as increase in choline chloride-induced Ca2+ flux preincubated for 30 mins followed by choline chloride addition and measured after 10 mins by FLIPR assay
50021699	7	ChEMBL_2462486	Positive allosteric modulation of human alpha7 nAChR expressed in rat GH4-C1 cells assessed as potentiation of choline-induced Ca2+ level preincubated for 10 mins followed by choline addition and measured every 1 sec for 85 sec by fluorescence based analysis
50021699	8	ChEMBL_2462487	Positive allosteric modulation of human alpha7 nAChR expressed in xenopus laevis oocytes assessed as potentiation of acetylcholine induced ionic current at -80 mV holding potential by electrophysiology
50021700	1	ChEMBL_2462501	Inhibition of CSF-1R (unknown origin)
50021700	2	ChEMBL_2462502	Inhibition of CSF-1R phosphorylation in mouse RAW264.7 cells incubated for 20 mins in presence of CSF-1 by Western blot analysis
50021700	3	ChEMBL_2462503	Inhibition of human CSF1R using pEY as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintillation counting
50021700	4	ChEMBL_2462505	Inhibition of CRAF (unknown origin) preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by P81 filter-binding method
50021700	5	ChEMBL_2462506	Inhibition of c-KIT (unknown origin) preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by P81 filter-binding method
50021700	6	ChEMBL_2462507	Inhibition of LYN (unknown origin) preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by P81 filter-binding method
50021700	7	ChEMBL_2462510	Inhibition of CSF-1R autophosphorylation in mouse RAW264.7 cells preincubated for 6 hrs followed by CSF-1 addition and measured after 20 mins by ELISA
50021701	1	ChEMBL_2462553	Inhibition of recombinant human TNIK (1 to 367 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of ATP at Km concentration by radiometric scintillation counting analysis
50021701	2	ChEMBL_2462605	Inhibition of TNIK (unknown origin)
50021702	1	ChEMBL_2462608	Inhibition of recombinant human MAGL preincubated for 10 mins followed by substrate addition and measured every 10 sec for 10 mins
50021702	2	ChEMBL_2462657	Inhibition of mouse MAGL
50021703	1	ChEMBL_2462975	Binding affinity to CBP (unknown origin) assessed as dissociation constant by ITC analysis
50021703	2	ChEMBL_2462976	Binding affinity to p300 (unknown origin) assessed as dissociation constant by ITC analysis
50021703	3	ChEMBL_2462977	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant by ITC analysis
50021703	4	ChEMBL_2462978	Binding affinity to CBP (unknown origin) assessed as dissociation constant by SPR analysis
50021703	5	ChEMBL_2462979	Binding affinity to p300 (unknown origin) assessed as dissociation constant by SPR analysis
50021703	6	ChEMBL_2462980	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant by SPR analysis
50021703	7	ChEMBL_2462981	Binding affinity to p300 (unknown origin) using 3H-Acetyl CoA as substrate assessed as inhibition constant
50021703	8	ChEMBL_2462982	Inhibition of CBP BHC domain (unknown origin) by TR-FRET assay
50021703	9	ChEMBL_2462983	Inhibition of P300 (unknown origin)
50021703	10	ChEMBL_2463003	Binding affinity to CBP (unknown origin) by fluorescence Polarization assay
50021703	11	ChEMBL_2463004	Binding affinity to p300 (unknown origin) by fluorescence Polarization assay
50021703	12	ChEMBL_2463005	Binding affinity to GST-tagged human CRBN by TR-FRET assay
50021704	1	ChEMBL_2463358	Displacement of conivaptan-red fluorescent probe from SNAP-tagged human vasopressin V2 receptor expressed in HEK293 cells assessed as inhibition constant measured every 1 min for 1 hr by HTRF assay
50021704	2	ChEMBL_2463363	Binding affinity to human V1A receptor expressed in CHO cells by radioligand displacement assay
50021705	1	ChEMBL_2463383	Activation of ATF4 ( unknown origin) expressed in human H4 cells incubated for 24 hrs by reporter gene assay
50021707	1	ChEMBL_2463478	Inhibition of squalene synthase in rat liver microsomes using [3H] farnesyl pyrophosphate as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by liquid scintillation counter analysis
50021708	1	ChEMBL_2463485	Inhibition of wild type HER2 (unknown origin) using 4 x ULightTM-labeled Ploy GT peptide substrate measured after 180 mins
50021708	2	ChEMBL_2463487	Inhibition of wild type EGFR (unknown origin) using 4 x ULightTM-labeled JAK-1 (Try1023) peptide substrate measured after 180 mins
50021709	1	ChEMBL_2463582	Binding affinity to His-tagged human recombinant STAT3 assessed as dissociation constant by MST assay
50021710	1	ChEMBL_2463621	Inhibition of GCN2 (unknown origin) using GFP-eIF2alpha as substrate incubated for 1.5 hrs in presence of ATP by plate reader analysis
50021710	2	ChEMBL_2463627	Activation of GCN2 in HEK293 cells transfected with ATF4 response element preincubated for 30 mins followed by halofuginone addition and measured after 6 hrs by One-Glo reagent based plate reader assay
50021710	3	ChEMBL_2463628	Activation of PERK in HEK293 cells transfected with ATF4 response element preincubated for 30 mins followed by tunicamycin addition and measured after 6 hrs by One-Glo reagent based plate reader assay
50021710	4	ChEMBL_2463645	Inhibition of GCN2 in human MOLM16 cells
50021710	5	ChEMBL_2463646	Inhibition of MAP2K5 in human MOLM16 cells
50021710	6	ChEMBL_2463647	Inhibition of NEK1 in human MOLM16 cells
50021710	7	ChEMBL_2463648	Inhibition of PEK in human MOLM16 cells
50021710	8	ChEMBL_2463649	Inhibition of PIK3C2B in human MOLM16 cells
50021710	9	ChEMBL_2463650	Inhibition of RIPK2 in human MOLM16 cells
50021710	10	ChEMBL_2463651	Inhibition of RIPK3 in human MOLM16 cells
50021710	11	ChEMBL_2463652	Inhibition of ZAK in human MOLM16 cells
50021711	1	ChEMBL_2463677	Displacement of FL-H3K4me3 peptide from human N-terminal His10 tagged SPIN1 (G21 to S262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay
50021711	2	ChEMBL_2463678	Binding affinity to human N-terminal His10 tagged SPIN1 (G21 to S262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021711	3	ChEMBL_2463717	Displacement of Histone H3 peptide from N-terminal Nanoluciferase fusion of full length SPIN1 (unknown origin) transfected in U2OS cells cotransfected with C-terminal Halo tagged-Histone 3.3 preincubated for 24 hrs followed by Nano-Glo substrate addition by NanoBRET assay
50021711	4	ChEMBL_2463720	Inhibition of G9a (unknown origin)
50021711	5	ChEMBL_2463721	Inhibition of GLP (unknown origin)
50021711	6	ChEMBL_2463724	Binding affinity to human N-terminal His6 tagged SPIN2B (P45 to S258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021711	7	ChEMBL_2463725	Binding affinity to human N-terminal His6 tagged SPIN3 (M27 to S258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021711	8	ChEMBL_2463726	Binding affinity to human N-terminal His6 tagged SPIN4 (T36 to P249 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021712	1	ChEMBL_2464019	Inhibition of CDK1 (unknown origin)
50021712	2	ChEMBL_2464020	Inhibition of CDK2 (unknown origin)
50021712	3	ChEMBL_2464021	Inhibition of CDK4 (unknown origin)
50021712	4	ChEMBL_2464022	Inhibition of CDK6 (unknown origin)
50021712	5	ChEMBL_2464023	Inhibition of CDK7 (unknown origin)
50021712	6	ChEMBL_2464024	Inhibition of CDK9 (unknown origin)
50021712	7	ChEMBL_2464025	Inhibition of CDK5 (unknown origin)
50021712	8	ChEMBL_2464026	Inhibition of CDK9/cyclin T1 (unknown origin)
50021712	9	ChEMBL_2464030	Inhibition of CDK7/CycH/MAT1 (unknown origin)
50021712	10	ChEMBL_2464035	Inhibition of CDK9 (unknown origin) by ADP-Glo kinase assay
50021712	11	ChEMBL_2464038	Inhibition of CDK5/p25 (unknown origin)
50021712	12	ChEMBL_2464041	Inhibition of CDK2/cyclin E1 (unknown origin)
50021712	13	ChEMBL_2464042	Inhibition of CDK8 (unknown origin)
50021712	14	ChEMBL_2464048	Binding affinity to CK1alpha (unknown origin) assessed as dissociation constant
50021712	15	ChEMBL_2464049	Binding affinity to CDK9 (unknown origin) assessed as dissociation constant
50021712	16	ChEMBL_2464050	Inhibition of CDC7 (unknown origin)
50021712	17	ChEMBL_2464051	Binding affinity to CDK9/cyclin T1 (unknown origin) assessed as inhibition constant
50021712	18	ChEMBL_2464052	Inhibition of human HASPIN by discoverX kinome scan assay
50021712	19	ChEMBL_2464053	Binding affinity FLT3-ITD mutant (unknown origin) assessed as inhibition constant
50021712	20	ChEMBL_2464054	Binding affinity to CDK2 (unknown origin) assessed as dissociation constant
50021712	21	ChEMBL_2464056	Inhibition of GSK3alpha (unknown origin) by ADP-Glo assay
50021712	22	ChEMBL_2464057	Inhibition of GSK3beta (unknown origin) by ADP-Glo assay
50021712	23	ChEMBL_2464058	Inhibition of HDAC1 (unknown origin) by fluorescence based assay
50021714	1	ChEMBL_2464062	Binding affinity to BRD4 ET domain (601 to 683 residues) (unknown origin) by SPR analysis
50021717	1	ChEMBL_2464283	Inhibition of human SLC13A5 transfected in HEK293T cells incubated for 30 mins by D4-citrate uptake assay
50021718	1	ChEMBL_2464355	Inhibition of CARM1 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA assay
50021718	2	ChEMBL_2464356	Inhibition of PRMT1 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 60 mins by AlphaLISA assay
50021718	3	ChEMBL_2464363	Inhibition of PRMT3 (unknown origin)
50021718	4	ChEMBL_2464364	Inhibition of PRMT6 (unknown origin)
50021718	5	ChEMBL_2464365	Inhibition of PRMT8 (unknown origin)
50021718	6	ChEMBL_2464366	Inhibition of PRMT5 (unknown origin)
50021718	7	ChEMBL_2464367	Inhibition of PRMT7 (unknown origin)
50021718	8	ChEMBL_2464386	Inhibition of FLAG tagged CARM1 (2 to 585 residues) (unknown origin) using SAM as substrate preincubated for 30 mins followed by substrate addition by topcount reader analysis
50021718	9	ChEMBL_2464387	Inhibition of CARM1 (unknown origin)
50021719	1	ChEMBL_2464388	Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate measured after 1 hrs in presence of by ADP-Glo Kinase assay
50021719	2	ChEMBL_2464391	Inhibition of PI3Kalpha (unknown origin) using PIP2:PS as substrate measured after 1 hrs in presence of by ADP-Glo Kinase assay
50021719	3	ChEMBL_2464392	Inhibition of PI3Kbeta (unknown origin) using PIP2:PS as substrate measured after 1 hrs in presence of by ADP-Glo Kinase assay
50021719	4	ChEMBL_2464393	Inhibition of PI3Kgamma (unknown origin) using PIP2:PS as substrate measured after 1 hrs in presence of by ADP-Glo Kinase assay
50021721	1	ChEMBL_2464428	Binding affinity to NAMPT (unknown origin) assessed as inhibition constant
50021721	2	ChEMBL_2464433	Inhibition of N-terminal 6His-tagged human NAMPT expressed in Escherichia coli BL21 (DE3) measured for 1 hr by fluorescence based analysis
50021721	3	ChEMBL_2464436	Inhibition of NAMPT (unknown origin)
50021721	4	ChEMBL_2464437	Inhibition of HDAC1 (unknown origin)
50021721	5	ChEMBL_2464438	Inhibition of HDAC2 (unknown origin)
50021721	6	ChEMBL_2464439	Inhibition of Hexahistidine FLAG-tagged human recombinant NAMPT expressed in Escherichia coli BL21(DE3) pLysS cells
50021721	7	ChEMBL_2464440	Binding affinity to NAMPT (unknown origin) assessed as dissociation constant
50021721	8	ChEMBL_2464442	Binding affinity to human NAMPT expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant
50021721	9	ChEMBL_2464444	Inhibition of NAMPT in human HCT-116 cells assessed as decrease in cellular NAD+ level after 24 hrs by MTT assay
50021721	10	ChEMBL_2464445	Inhibition of N-terminal His-tagged mouse NAMPT transformed in Escherichia coli Rosetta cells
50021721	11	ChEMBL_2464446	Inhibition of NAMPT (unknown origin) using NAM and PRPP as substrates incubated for 2 hrs in presence of ATP by fluorimetric plate reader assay
50021723	1	ChEMBL_2464447	Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo reagent based luminescence microtiter plate reader analysis
50021723	2	ChEMBL_2464448	Inhibition of full length human CDK2 (1 to 298 residues)/N-terminal GST-tagged human Cyclin E1 (1 to 410 residues) expressed in baculovirus expression system preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo reagent based luminescence microtiter plate reader analysis
50021723	3	ChEMBL_2464461	Inhibition of N-terminal GST-tagged human CSNK1E (1 to 348 residues) expressed in baculovirus infected Sf21 insect cells preincubated for 10 mins followed by substrate addition and measured after 60 mins in presence of ATP by ADP-Glo reagent based luminescence microtiter plate reader analysis
50021724	1	ChEMBL_2464480	Inhibition of human full-length DNA-PK using EPPLSQEAFADLWKK as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay
50021725	1	ChEMBL_2464651	Inhibition of ALC1 (unknown origin) by FRET assay
50021725	2	ChEMBL_2464665	Inhibition of human PARP9 by FRET assay
50021725	3	ChEMBL_2464666	Inhibition of human ALC1 by FRET assay
50021726	1	ChEMBL_2464672	Inhibition of CSF-1R (unknown origin) incubated for 30 mins in presence of ATP by mobility shift assay
50021726	2	ChEMBL_2464682	Binding affinity to recombinant human CSF-1R assessed as dissociation constant by SPR analysis
50021727	1	ChEMBL_2464848	Displacement of [3H]DOI from human 5-HT2A receptor expressed in HEK293 cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	2	ChEMBL_2464849	Displacement of [3H]DOI from human 5-HT2B receptor expressed in CHO cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	3	ChEMBL_2464850	Displacement of [3H]DOI from human 5-HT2C receptor expressed in HEK293 cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	4	ChEMBL_2464851	Displacement of [3H]LSD from human 5-HT2A receptor expressed in HEK293 cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	5	ChEMBL_2464852	Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK293 cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	6	ChEMBL_2464853	Displacement of [3H]LSD from human 5-HT2C receptor expressed in HEK293 cell membrane incubated for 90 mins by microbeta liquid scintillation counting method
50021727	7	ChEMBL_2464867	Binding affinity to human [125I]DOI-labeled 5-HT2A receptor expressed in HEK293 cell membrane incubated for 60 mins
50021727	8	ChEMBL_2464868	Binding affinity to human [125I]DOI-labeled 5-HT2B receptor expressed in CHO cell membrane incubated for 60 mins
50021727	9	ChEMBL_2464869	Binding affinity to human [125I]DOI-labeled 5-HT2C receptor expressed in HEK293 cell membrane incubated for 60 mins
50021727	10	ChEMBL_2464870	Binding affinity to human [125I]LSD-labeled 5-HT2A receptor expressed in HEK293 cell membrane incubated for 60 mins
50021727	11	ChEMBL_2464871	Binding affinity to human [125I]LSD-labeled 5-HT2B receptor expressed in CHO cell membrane incubated for 60 mins
50021727	12	ChEMBL_2464872	Binding affinity to human [125I]LSD-labeled 5-HT2C receptor expressed in HEK293 cell membrane incubated for 60 mins
50021727	13	ChEMBL_2464877	Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin) assessed as inhibition binding
50021727	14	ChEMBL_2464878	Displacement of [3H]5-CT from 5-HT1B receptor (unknown origin) assessed as inhibition binding
50021727	15	ChEMBL_2464879	Displacement of [3H]LSD from 5-HT6 receptor (unknown origin) assessed as inhibition binding
50021727	16	ChEMBL_2464880	Displacement of [3H]LSD from 5-HT7 receptor (unknown origin) assessed as inhibition binding
50021727	17	ChEMBL_2464894	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2A receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis relative to control
50021727	18	ChEMBL_2464895	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2B receptor expressed in human CHO-K1 cells incubated for 60 mins by spectrophotometric analysis relative to control
50021727	19	ChEMBL_2464896	Displacement of [3H]-rauwolscine from human recombinant adrenergic alpha-2C receptor expressed in CHO-K1 cells incubated for 60 mins by spectrophotometric analysis relative to control
50021728	1	ChEMBL_2465075	Displacement of C-terminal 5'-TAMRA labeled histone H4 Me0 peptide (1 to 21) from PRMT5/MEP50 (unknown origin) incubated for 30 mins in presence of MTA by fluorescence anisotropy
50021728	2	ChEMBL_2465076	Displacement of C-terminal 5'-TAMRA labeled histone H4 Me2 peptide (1 to 21) from PRMT5/MEP50 (unknown origin) incubated for 30 mins in presence of SAM by fluorescence anisotropy
50021728	3	ChEMBL_2465078	Inhibition of PRMT5 in MTAP-null human HAP1 cells incubated for 24 hrs by SDMA in-cell western assay
50021728	4	ChEMBL_2465087	Binding affinity to apo-PRMT5 (unknown origin) assessed as dissociation constant incubated for 1 hr in presence of Me0 peptide by double titration based analysis
50021728	5	ChEMBL_2465090	Substrate competitive inhibition of human PRMT5/MEP50 complex preincubated for 30 mins with [3H]SAM followed by incubation with 10 uM histone H4 (1 to 21) peptide for 2.5 hrs by radioactive flash plate based scintillation counting analysis
50021728	6	ChEMBL_2465095	Substrate competitive inhibition of human PRMT5/MEP50 complex preincubated for 30 mins with [3H]SAM followed by incubation with 1 uM histone H4 (1 to 21) peptide for 2.5 hrs by radioactive flash plate based scintillation counting analysis
50021728	7	ChEMBL_2465097	Inhibition of PRMT5/MEP50 complex (unknown origin) preincubated with enzyme for 2 hrs in spin columns followed by incubation with histone H4 (1 to 21) peptide and SAM for 5 hrs followed by incubation in flashplate for 1 hr by spin column/FlashPlate based scintillation counting analysis
50021728	8	ChEMBL_2465250	Binding affinity to biotinylated PRMT5/MEP50 complex (unknown origin) in presence of MTA by surface plasmon resonance analysis
50021729	1	ChEMBL_2465315	Inhibition of Burkholderia pseudomallei K96243 GMHA expressed in Escherichia coli BL21 (DE3) cells using sedoheptulose-7-phosphate as substrate preincubated for 30 mins followed by substrate and ATP addition measured after 30 mins by luminescence based analysis
50021730	1	ChEMBL_2465443	Inhibition of human wild type TTK using RBER-CHKtide as substrate in presence of ATP by hotspot assay
50021730	2	ChEMBL_2465444	Inhibition of N-terminal GST tagged cytoplasmic domain human FGFR4 (460 to 802 residues) expressed in Escherichia coli BL21 (DE3) using CSox as substrate incubated for 240 mins in presence of ATP by hotspot assay
50021730	3	ChEMBL_2465446	Inhibition of N-terminal GST tagged cytoplasmic domain human FGFR4 (460 to 802 residues) expressed in Escherichia coli BL21 (DE3) by phosphosen-csox based assay
50021730	4	ChEMBL_2465448	Inhibition of human FGFR1 using poly[Glu:Tyr] (4:1) as substrate in presence of ATP by hotspot assay
50021730	5	ChEMBL_2465449	Inhibition of human FGFR2 in presence of ATP by hotspot assay
50021730	6	ChEMBL_2465450	Inhibition of human wild type FGFR3 using polyEY as substrate in presence of ATP by hotspot assay
50021730	7	ChEMBL_2465451	Inhibition of human wild type S6K2 using RBER-CHKtide as substrate in presence of ATP by hotspot assay
50021730	8	ChEMBL_2465452	Inhibition of human MAPKAPK2 using KKLNRTLSVA as substrate in presence of ATP by hotspot assay
50021730	9	ChEMBL_2465453	Inhibition of human MAPKAPK3 using KKLNRTLSVA as substrate in presence of ATP by hotspot assay
50021730	10	ChEMBL_2465455	Binding affinity to N-terminal GST tagged cytoplasmic domain human FGFR4 (460 to 802 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant using sox as substrate incubated for 30 mins followed by enzyme addition and measured after 120 mins in presence of ATP by PhosphoSens CSox-based continuous assay
50021730	11	ChEMBL_2465458	Inhibition of full length nanoluc-fused FGFR1 transfected in HEK293T cells assessed as target engagement incubated for 3 hrs in presence of K10 tracer by Nano BRET assay
50021730	12	ChEMBL_2465459	Inhibition of full length nanoluc-fused FGFR2 transfected in HEK293T cells assessed as target engagement incubated for 3 hrs in presence of K10 tracer by Nano BRET assay
50021730	13	ChEMBL_2465460	Inhibition of full length nanoluc-fused FGFR3 transfected in HEK293T cells assessed as target engagement incubated for 3 hrs in presence of K10 tracer by Nano BRET assay
50021730	14	ChEMBL_2465461	Inhibition of full length nanoluc-fused FGFR4 transfected in HEK293T cells assessed as target engagement incubated for 3 hrs in presence of K10 tracer by Nano BRET assay
50021730	15	ChEMBL_2465465	Inhibition of recombinant FGFR4 (unknown origin)
50021730	16	ChEMBL_2465467	Inhibition of MK2 (unknown origin)
50021731	1	ChEMBL_2465481	Binding affinity to EED (75 to 441 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021732	1	ChEMBL_2465561	Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition and measured after 5 mins by fluorescence based analysis
50021733	1	ChEMBL_2465594	Inhibition of wild type HIV-1 Reverse transcriptase assessed as reduction of biotin-dUTP incorporation into protein using ABTS as substrate preincubated with compound for 1 hr followed by substrate addition in presence of biotin-labeled dNTPs by ELISA analysis
50021734	1	ChEMBL_2465629	Binding affinity to human cGAS assessed as dissociation constant measured upto 240 secs by surface plasmon resonance assay
50021734	2	ChEMBL_2465632	Inhibition of cGAS in human THP1-Dual cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUANTI-Luc assay
50021734	3	ChEMBL_2465633	Inhibition of cGAS in mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUANTI-Luc assay
50021734	4	ChEMBL_2465636	Inhibition of cGAS in dsDNA activated human THP1-Dual cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUANTI-Luc assay
50021734	5	ChEMBL_2465637	Inhibition of cGAS in dsDNA activated mouse RAW-Lucia ISG cells preincubated for 1 hr followed by cGAMP addition and measured after 24 hrs by luminescence based QUANTI-Luc assay
50021734	6	ChEMBL_2465640	Inhibition of full length recombinant human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo max luminescent kinase assay
50021734	7	ChEMBL_2465691	Inhibition of human cGas incubated for 120 mins
50021734	8	ChEMBL_2465692	Inhibition of mouse cGas incubated for 120 mins
50021734	9	ChEMBL_2465693	Inhibition of human cGas in presence of ATP by mass spectrometry analysis
50021734	10	ChEMBL_2465694	Binding affinity to human cGas assessed as dissociation constant
50021734	11	ChEMBL_2465695	Inhibition of human full length cGas (1 to 522 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 90 mins by pyrophosphatase-coupled assay
50021734	12	ChEMBL_2465696	Inhibition of mouse cGas
50021734	13	ChEMBL_2465697	Inhibition of full length human cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo luminescent assay
50021734	14	ChEMBL_2465698	Inhibition of full length mouse cGAS expressed in Escherichia coli BL21 (DE3) incubated for 7 hrs by Kinase-glo luminescent assay
50021734	15	ChEMBL_2465699	Inhibition of cGAS in dsDNA stimulated human THP-1 cells assessed as inhibition of IFNB1 mRNA level by qRT-PCR analysis
50021735	1	ChEMBL_2465702	Agonist activity at human Casein lysing protease P (HsClpP) assessed as increase in peptidase activity using fluorescent peptide AC-WLA-AMC as substrate measured after 2 hrs by SDS-PAGE/Kamus brilliant blue assay
50021735	2	ChEMBL_2465707	Agonist activity at human Casein lysing protease P (HsClpP) assessed as proteolytic activity by measuring alpha-casein hydrolysis measured after 2 hrs incubation by fluorescence assay
50021735	3	ChEMBL_2465709	Binding affinity to human Casein lysing protease P (HsClpP) assessed as change in melting temperature measured after 2 hrs differential scanning fluorimetry (DSF) assay
50021736	1	ChEMBL_2465784	Negative allosteric modulation of EAAT1 (unknown origin) transfected in African green monkey COS-7 cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	2	ChEMBL_2465785	Positive allosteric modulation of EAAT3 (unknown origin) transfected in African green monkey COS-7 cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	3	ChEMBL_2465786	Positive allosteric modulation of EAAT1 (unknown origin) transfected in African green monkey COS-7 cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	4	ChEMBL_2465787	Positive allosteric modulation of EAAT2 (unknown origin) transfected in African green monkey COS-7 cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	5	ChEMBL_2465788	Negative allosteric modulation of EAAT2 (unknown origin) transfected in African green monkey COS-7 cells assessed as decrease in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	6	ChEMBL_2465789	Negative allosteric modulation of EAAT3 (unknown origin) transfected in African green monkey COS-7 cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by scintillation counter analysis
50021736	7	ChEMBL_2465808	Positive allosteric modulation of EAAT2 in Sprague-Dawley rat microglial cells assessed as increase in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by microplate scintillation counter analysis
50021736	8	ChEMBL_2465823	Negative allosteric modulation of EAAT2 in Sprague-Dawley rat microglial cells assessed as decrease in glutamate uptake preincubated for 10 mins followed by 3-H-L-glutamate addition and measured after 10 mins by microplate scintillation counter analysis
50021737	1	ChEMBL_2465861	Inhibition of human recombinant SOS1
50021737	2	ChEMBL_2465862	Inhibition of EGFR (unknown origin) using ultra ULight GT peptide as substrate incubated for 2 hrs
50021738	1	ChEMBL_2465959	Inhibition of Cathepsin L (unknown origin) assessed as inhibition constant using Z-RR-AMC as fluorogenic substrate by fluorescence based microplate analysis
50021739	1	ChEMBL_2466009	Binding affinity to mouse RANKL assessed as dissociation constant by SPR analysis
50021741	1	ChEMBL_2466135	Displacement of [3H]-DAMGO from rat MOR receptor expressed in CHO cell membrane assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting method
50021741	2	ChEMBL_2466136	Displacement of [3H]DPDPE from rat DOR expressed in CHO cells membrane assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting method
50021741	3	ChEMBL_2466137	Displacement of [3H]U69593 from human KOR expressed in CHO cells membrane assessed as inhibition constant incubated for 1 hrs by liquid scintillation counting method
50021742	1	ChEMBL_2466159	Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate incubated for 60 mins in presence of ATP by ADP-glo reagent based assay
50021742	2	ChEMBL_2466175	Displacement of [3H]-LSD from 5-HT2A receptor (unknown origin) expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation analysis
50021742	3	ChEMBL_2466178	Displacement of [3H]-LSD from 5-HT2C receptor (unknown origin) expressed in HEK293T cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation analysis
50021743	1	ChEMBL_2466183	Binding affinity to human HGPRT assessed as inhibition constant
50021743	2	ChEMBL_2466187	Inhibition of human HGPRT by spectrophotometry
50021743	3	ChEMBL_2466188	Inhibition of Plasmodium falciparum HGXPRT by spectrophotometry
50021743	4	ChEMBL_2466191	Inhibition of Mycobacterium tuberculosis HGPRT by spectrophotometry
50021743	5	ChEMBL_2466193	Binding affinity to Escherichia coli XGPRT by spectrophotometry
50021744	1	ChEMBL_2466305	Inhibition of FAP (unknown origin) using Z-Gly-Pro-7-amino-4-methylcoumarine as fluorogenic substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	2	ChEMBL_2466306	Inhibition of DPP4 (unknown origin) using Ala-Pro-paranitroanilide as chromogenic substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	3	ChEMBL_2466307	Inhibition of DPP8 (unknown origin) using Ala-Pro-paranitroanilide as chromogenic substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	4	ChEMBL_2466308	Inhibition of DPP9 (unknown origin) using Ala-Pro-paranitroanilide as chromogenic substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	5	ChEMBL_2466309	Inhibition of DPP2 (unknown origin) using Lys-Ala-pNA as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	6	ChEMBL_2466310	Inhibition of PREP (unknown origin) using N-succinyl-Gly-Pro-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 15 mins
50021744	7	ChEMBL_2466311	Inhibition of C-terminal His-tagged recombinant human FAP extracellular domain (27 to 760 residues) expressed in Sf9 cells
50021744	8	ChEMBL_2466312	Inhibition of human recombinant PREP expressed in Escherichia coli BL21 (DE3) cells
50021744	9	ChEMBL_2466340	Inhibition of FAP (unknown origin)
50021744	10	ChEMBL_2466341	Inhibition of DPP4 (unknown origin)
50021744	11	ChEMBL_2466342	Inhibition of DPP8 (unknown origin)
50021744	12	ChEMBL_2466343	Inhibition of DPP9 (unknown origin)
50021744	13	ChEMBL_2466344	Inhibition of DPP2 (unknown origin)
50021744	14	ChEMBL_2466345	Inhibition of PREP (unknown origin)
50021745	1	ChEMBL_2466346	Inhibition of PI3Kalpha (unknown origin) by ADP-glo plus luminescence assay
50021745	2	ChEMBL_2466347	Inhibition of mTOR (unknown origin) by Lance ultra assay
50021745	3	ChEMBL_2466349	Inhibition of PI3Kbeta (unknown origin) by ADP-glo plus luminescence assay
50021745	4	ChEMBL_2466350	Inhibition of PI3Kgamma (unknown origin) by ADP-glo plus luminescence assay
50021745	5	ChEMBL_2466351	Inhibition of PI3Kdelta (unknown origin) by ADP-glo plus luminescence assay
50021746	1	ChEMBL_2466488	Binding affinity to TTR in human plasma assessed as target occupancy incubated for 6 hrs in presence of E)-S-phenyl 3-(4-hydroxy-3,5-dimethyistyryl)benzothioate by fluorescence based competitive binding assay
50021746	2	ChEMBL_2466489	Inhibition of acid-induced TTR V30M mutant (unknown origin) aggregation preincubated for 30 mins followed by acetate buffer at pH 4.7 addition and measured after 7 days by thioflavin T based fluorescence analysis
50021746	3	ChEMBL_2466491	Binding affinity to TTR V30M mutant (unknown origin) assessed as dissociation constant by ITC analysis
50021748	1	ChEMBL_2466499	Binding affinity to EGFR L858R/T790M/C797S mutant (unknown origin) assessed as dissociation constant incubated for 10 mins under dark condition by MST analysis
50021749	1	ChEMBL_2466571	Inhibition of recombinant PRDX1 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	2	ChEMBL_2466583	Inhibition of recombinant PRDX2 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	3	ChEMBL_2466584	Inhibition of recombinant PRDX3 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	4	ChEMBL_2466585	Inhibition of recombinant PRDX4 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	5	ChEMBL_2466586	Inhibition of recombinant PRDX5 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	6	ChEMBL_2466587	Inhibition of recombinant PRDX6 (unknown origin) using H2O2 as substrate preincubated for 0.5 hrs followed by substrate addition by TRX-TrxR-NADPH coupling assay
50021749	7	ChEMBL_2466588	Binding affinity to CM5 sensor chip-immobilized recombinant PRDX1 (unknown origin) assessed as dissociation constant by SPR analysis
50021750	1	ChEMBL_2466679	Inhibition of wild type human LRRK2 using [RLGRDKYKTLRQIRQ] peptide substrate by [Gamma33P]-ATP assay
50021750	2	ChEMBL_2466680	Inhibition of human LRRK2 G2019S mutant using [RLGRDKYKTLRQIRQ] peptide substrate by [Gamma33P]-ATP assay
50021750	3	ChEMBL_2466682	Inhibition of NanoBRET LRRK2 (unknown origin) G2019S mutant expressed in HEK293 cells by NanoBRET TE Intracellular Kinase Assay
50021752	1	ChEMBL_2466688	Inhibition of NLRP3 inflammasome activation in LPS-activated human THP-1 cells assessed as inhibition of nigericin induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 40 mins and further stimulated with nigericin for 40 mins by ELISA method
50021752	2	ChEMBL_2466742	Inhibition of NLRP3 inflammasome activation in LPS-activated mouse BMDM cells assessed as inhibition of nigericin induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 40 mins and further stimulated with nigericin for 40 mins by ELISA method
50021752	3	ChEMBL_2466743	Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells assessed as inhibition of nigericin induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 40 mins and further stimulated with nigericin for 40 mins by ELISA method
50021753	1	ChEMBL_2466816	Inhibition of pyruvate carboxylase (unknown origin) by NADH-malate dehydrogenase based spectrophotometry
50021753	2	ChEMBL_2466866	Binding affinity to recombinant human pyruvate carboxylase assessed as dissociation constant by SPR analysis
50021754	1	ChEMBL_2467199	Inhibition of PRMT5/MEP50 (unknown origin)
50021755	1	ChEMBL_2467204	Inhibition of mTOR (unknown origin)
50021755	2	ChEMBL_2467205	Inhibition of Src (unknown origin)
50021755	3	ChEMBL_2467211	Displacement of tracer K-9 from C-terminal NanoLuc fused full-length MKK3 (unknown origin) transfected in HEK293T cells by BRET assay
50021756	1	ChEMBL_2467221	Inhibition of KDM5B (unknown origin) incubated for 2 hrs by Alphascreen assay
50021756	2	ChEMBL_2467222	Inhibition of KDM5A (unknown origin) incubated for 2 hrs by Alphascreen assay
50021756	3	ChEMBL_2467223	Inhibition of KDM5C (unknown origin) incubated for 2 hrs by Alphascreen assay
50021756	4	ChEMBL_2467224	Inhibition of KDM3A (unknown origin) incubated for 2 hrs by Alphascreen assay
50021756	5	ChEMBL_2467225	Inhibition of KDM4A (unknown origin) incubated for 2 hrs by Alphascreen assay
50021756	6	ChEMBL_2467226	Inhibition of KDM6B (unknown origin) incubated for 2 hrs by Alphascreen assay
50021757	1	ChEMBL_2467235	Inhibition of Xc- in human HT-1080 cells assessed as decrease in glutamate release incubated for 2 hrs by Amplex red assay
50021757	2	ChEMBL_2467237	Inhibition of 15-LOX (unknown origin)
50021757	3	ChEMBL_2467238	Inhibition of Acetyl-CoA acetyltransferase (unknown origin)
50021758	1	ChEMBL_2467259	Activation of N-terminal His-tagged human NAMPT expressed in Escherichia coli BL 21 (DE3) using NAM and PRPP as substrates incubated for 15 mins in presence of ATP by fluorescence based spectrometer analysis
50021758	2	ChEMBL_2467261	Activation of N-terminal 6His-tagged mouse NAMPT measured for 20 mins by fluorescence based spectrometer analysis
50021758	3	ChEMBL_2467263	Activation of C-terminal 6His-tagged human wild type NAMPT using NAM and PRPP as substrate measured for 30 mins in presence of ATP by fluorescence based spectrometric analysis
50021758	4	ChEMBL_2467264	Activation of recombinant NAMPT (unknown origin) expressed in Escherichia coli by fluorescence based spectrometer analysis
50021758	5	ChEMBL_2467268	Inhibition of N-terminal His-tagged human NAMPT
50021758	6	ChEMBL_2467270	Inhibition of His-tagged human NAMPT expressed in Escherichia coli BL21 CodonPlus (DE3)-RIPL cells by Western blot analysis
50021758	7	ChEMBL_2467271	Inhibition of NAMPT (unknown origin)
50021758	8	ChEMBL_2467276	Inhibition of human NAMPT in A2780 cells
50021758	9	ChEMBL_2467279	Inhibition of PAK4 (unknown origin) by HTRF assay
50021759	1	ChEMBL_2467317	Inhibition of wild type TRKA (unknown origin) preincubated for 30 mins followed by ATP and U Light-poly GT addition and measured after 2 hrs by multilabel plate reader method
50021759	2	ChEMBL_2467318	Inhibition of TRKA G595R mutant (unknown origin) preincubated for 30 mins followed by ATP and U Light-poly GT addition and measured after 2 hrs by multilabel plate reader method
50021759	3	ChEMBL_2467319	Inhibition of TRKA G667C mutant (unknown origin) preincubated for 30 mins followed by ATP and U Light-poly GT addition and measured after 2 hrs by multilabel plate reader method
50021760	1	ChEMBL_2467336	Inhibition of WRN in human HCT-116 cells
50021761	1	ChEMBL_2467365	Inhibition of recombinant human Haspin kinase domain (470 to 798 residues) expressed in bacteria using histone H3 (1 to 21) peptide as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021761	2	ChEMBL_2467368	Inhibition of recombinant mouse CLK1 expressed in bacteria using GRSRSRSRSRSR as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021761	3	ChEMBL_2467371	Inhibition of recombinant rat DYRK1A kinase domain (1 to 499 residues) expressed in bacteria using KKISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021761	4	ChEMBL_2467374	Inhibition of human recombinant CDK9/cyclin T expressed in baculovirus-infected Sf9 cells using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021761	5	ChEMBL_2467383	Inhibition of human recombinant PIM-1 expressed in bacteria using histone H1 as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021762	1	ChEMBL_2467420	Inhibition of Helicobacter pylori urease using urea as substrate assessed as decrease in ammonia production incubated for 0.5 hrs by indole phenol method
50021763	1	ChEMBL_2467448	Binding affinity to NF-kappaB DNA binding domain fused full length human MLKL expressed in HEK293 cells assessed as dissociation constant by competition binding based KINOMEscan assay
50021763	2	ChEMBL_2467449	Binding affinity to RIPK1 (unknown origin) assessed as dissociation constant by displacement assay
50021763	3	ChEMBL_2467450	Binding affinity to RIPK3 (unknown origin) assessed as dissociation constant by displacement assay
50021764	1	ChEMBL_2467464	Inhibition of recombinant Cbl-b (unknown origin) ubiquitination incubated for 1 hr by TR-FRET assay
50021764	2	ChEMBL_2467465	Inhibition of Cbl-b (unknown origin) ubiquitination by TR-FRET assay
50021764	3	ChEMBL_2467466	Inhibition of Cbl-b (unknown origin) by SPR assay
50021764	4	ChEMBL_2467467	Inhibition of Cbl-b (unknown origin)
50021764	5	ChEMBL_2467468	Inhibition of Cbl-b (unknown origin) by TR-FRET assay
50021764	6	ChEMBL_2467469	Binding affinity to CBl-b (unknown origin) assessed as dissociation constant by Surface plasmon resonance
50021764	7	ChEMBL_2467470	Inhibition of human recombinant Cbl-b by TR-FRET assay
50021764	8	ChEMBL_2467471	Binding affinity to human recombinant Cbl-b assessed as dissociation constant by SPR analysis
50021764	9	ChEMBL_2467474	Inhibition of Cbl-b (unknown origin) by HTRF assay
50021764	10	ChEMBL_2467475	Inhibition of c-Cbl (unknown origin) by HTRF method
50021764	11	ChEMBL_2467476	Binding affinity to c-Cbl (unknown origin) assessed as dissociation constant by SPR assay
50021764	12	ChEMBL_2467477	Inhibition of biotinylated recombinant Cbl-b (36 to 427 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) measured for 1 hr by TR-FRET assay
50021764	13	ChEMBL_2467478	Inhibition of c-Cbl (unknown origin) by TR-FRET assay
50021764	14	ChEMBL_2467479	Inhibition of N-terminal His-tagged human Cbl-b (40 to 426 residues) expressed in Escherichia coli by measured for 90 mins by HTRF method
50021764	15	ChEMBL_2467480	Inhibition of c-Cbl (unknown origin) expressed in Escherichia coli measured for 90 mins by HTRF method
50021765	1	ChEMBL_2467513	Inhibition of AKT1 (unknown origin) using Ac-KKGGRARTSSFAEPG-amide as substrate preincubated for 1 hr followed by substrate and gamma33P-ATP addition and measured after 2 hrs
50021765	2	ChEMBL_2467514	Inhibition of AKT2 (unknown origin) using Ac-KKGGRARTSSFAEPG-amide as substrate preincubated for 1 hr followed by substrate and gamma33P-ATP addition and measured after 2 hrs
50021765	3	ChEMBL_2467515	Inhibition of AKT1 (unknown origin)
50021765	4	ChEMBL_2467516	Inhibition of AKT2 (unknown origin)
50021766	1	ChEMBL_2467519	Allosteric inhibition of human recombinant AurkA kinase domain (123 to 403 residues) expressed in Escherichia coli Rosetta cells incubated for 90 mins by ADP-Glo kinase assay
50021766	2	ChEMBL_2467547	Allosteric inhibition of AurkA (unknown origin)
50021769	1	ChEMBL_2467600	Inhibition of EGFR (unknown origin)
50021769	2	ChEMBL_2467601	Inhibition of c-Met (unknown origin) by mobility shift assay
50021769	3	ChEMBL_2467602	Inhibition of PDGFRbeta (unknown origin)
50021770	1	ChEMBL_2467658	Inhibition of DNA polymerase theta mediated TMEJ repair activity in human HEK293T cells transfected with TMEJ reporter incubated for 24 hrs by Nano-glo luciferase assay
50021770	2	ChEMBL_2467659	Inhibition of DNA polymerase theta (unknown origin) using 5-TAMRA-CCTTCCTCCCGTGTCTTGTACCTTCCCGTCAGGAGGAAGG-BHQ-3' as substrate incubated for 60 mins by fluorescence analysis
50021772	1	ChEMBL_2467687	Inhibition of p-glycoprotein (unknown origin) expressed in MDCK-MDR1 cells
50021772	2	ChEMBL_2467688	Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 5 mins by Ellman's spectrophotometric analysis
50021773	1	ChEMBL_2467714	Inhibition of human factor Xa
50021773	2	ChEMBL_2467728	Inhibition of N-terminal 6His-tagged human recombinant IDH1 R132H mutant (1 to 414 residues) expressed in Escherichia coli Rosetta2 (DE3) cells incubated for 1 hr by fluorescence based analysis
50021773	3	ChEMBL_2467729	Inhibition of human IDH1 R132H mutant
50021773	4	ChEMBL_2467730	Inhibition of wild type IDH1 R132H mutant (unknown origin) by enzymatic assay
50021774	1	ChEMBL_2467747	Binding affinity to aster A (unknown origin) assessed as change in fluorescence intensity
50021774	2	ChEMBL_2467748	Binding affinity to aster A (unknown origin) by fluorescence polarization method
50021774	3	ChEMBL_2467750	Displacement of tert-butyl 2-(4-((3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamoyl)benzamido)-3a,6,7,7a-tetrahydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate from aster A (unknown origin) assessed as change in fluorescence intensity
50021774	4	ChEMBL_2467751	Displacement of 22-NBD-Chol from aster A (unknown origin) by fluorescence polarization method
50021775	1	ChEMBL_2467765	Inhibition of C-terminal 6-his tagged SARS-CoV-2 main protease expressed in Escherichia coli BL-21-Gold(DE3) cells using DabcylKTSAVLQSGFRKM-(Edan) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based Spectramax M2e microplate reader based analysis
50021775	2	ChEMBL_2467768	Inhibition of SARS-CoV-1 main protease using DabcylKTSAVLQSGFRKM-(Edan) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based Spectramax M2e microplate reader based analysis
50021775	3	ChEMBL_2467774	Inhibition of human Cathepsin B
50021775	4	ChEMBL_2467779	Inhibition of SARS-CoV-2 main protease BetaCoV/Wuhan/WIV04/2019 expressed in Escherichia coli BL21(DE3) cells using FRET as substrate incubated for 1 hr
50021775	5	ChEMBL_2467780	Inhibition of SARS-CoV-2 main protease
50021776	1	ChEMBL_2467782	Inhibition of HDAC1 (unknown origin)
50021776	2	ChEMBL_2467783	Inhibition of HDAC2 (unknown origin)
50021776	3	ChEMBL_2467784	Inhibition of HDAC3 (unknown origin)
50021776	4	ChEMBL_2467785	Inhibition of HDAC8 (unknown origin)
50021776	5	ChEMBL_2467786	Inhibition of HDAC4 (unknown origin)
50021776	6	ChEMBL_2467787	Inhibition of HDAC5 (unknown origin)
50021776	7	ChEMBL_2467788	Inhibition of HDAC6 (unknown origin)
50021776	8	ChEMBL_2467789	Inhibition of HDAC7 (unknown origin)
50021776	9	ChEMBL_2467790	Inhibition of HDAC9 (unknown origin)
50021776	10	ChEMBL_2467791	Inhibition of HDAC10 (unknown origin)
50021776	11	ChEMBL_2467792	Inhibition of HDAC11 (unknown origin)
50021776	12	ChEMBL_2467793	Inhibition of human recombinant RRM2
50021777	1	ChEMBL_2467931	Inhibition of 6His-tagged wild type CDK12/cyclin K (unknown origin) infected in insect cells incubated for 1 hr by TR-FRET assay
50021778	1	ChEMBL_2467941	Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluorescence based microplate reader analysis
50021778	2	ChEMBL_2467942	Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluorescence based microplate reader analysis
50021778	3	ChEMBL_2467949	Inhibition of human 20S proteosome beta5c subunit using Ac-WLA-AMC as substrate by microplate reader analysis
50021779	1	ChEMBL_2467950	Inhibition of full length N-terminal GST-tagged human CDK2 (1 to 298 residues)/cyclin E1 (1 to 410 residues) expressed in Sf21 cells using histone H1 as substrate preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo reagent based microplate reader assay
50021779	2	ChEMBL_2467951	Inhibition of human CDK5/p25NCK using histone H1 as substrate preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo reagent based microplate reader assay
50021779	3	ChEMBL_2467952	Inhibition of recombinant human His-tagged CDK7/cyclin H/MNAT1 expressed in baculovirus expression system using histone H1 as substrate preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo reagent based microplate reader assay
50021779	4	ChEMBL_2467953	Inhibition of full-length recombinant N-terminal GST-tagged human CDK9 (1 to 372 residues)/His-tagged cyclinT1 (1 to 726 residues) expressed in baculovirus expression system using histone H1 as substrate preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo reagent based microplate reader assay
50021781	1	ChEMBL_2467988	Inhibition of HDAC1 (unknown origin)
50021781	2	ChEMBL_2467989	Inhibition of HDAC6 (unknown origin)
50021781	3	ChEMBL_2467993	Antagonist activity at Estrogen receptor (unknown origin)
50021782	1	ChEMBL_2468073	Binding affinity to VHL (unknown origin) by isothermal titration calorimetry
50021782	2	ChEMBL_2468074	Binding affinity to KEAP1 (unknown origin) by isothermal titration calorimetry
50021782	3	ChEMBL_2468075	Binding affinity to KLHDC2 (unknown origin)
50021782	4	ChEMBL_2468076	Inhibition of EED (unknown origin) by ELISA based assay
50021783	1	ChEMBL_2468103	Inhibition of wild type EZH2 (unknown origin) preincubated for 15 mins followed by substrate addition and measured after 45 mins by AlphaLISA assay
50021784	1	ChEMBL_2468156	Binding affinity to recombinant PLK1 (unknown origin) assessed as dissociation constant by SPR analysis
50021785	1	ChEMBL_2468216	Inhibition of recombinant human PIP5K1alpha expressed in Escherichia coli BL21 (DE3) using phosphatidylinositol-4-phosphate as substrate preincubated for 10 mins followed by substrate and ATP addition and further incubated under dark condition with constant shaking for 30 mins by capillary electrophoresis
50021785	2	ChEMBL_2468220	Inhibition of CK2 (unknown origin) using RRRDDDSDDD-EDANS as substrate measured after 15 mins by capillary electrophoresis
50021786	1	ChEMBL_2468243	Inhibition of CDK4/Cyclin D1 in human MCF7 cells
50021786	2	ChEMBL_2468244	Inhibition of CDK6/Cyclin D1 in human MCF7 cells
50021786	3	ChEMBL_2468246	Inhibition of CDK4/Cyclin D1 (unknown origin)
50021786	4	ChEMBL_2468247	Inhibition of CDK6/Cyclin D1 (unknown origin)
50021786	5	ChEMBL_2468254	Inhibition of CDK4/Cyclin D1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50021786	6	ChEMBL_2468255	Inhibition of CDK6/Cyclin D1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50021786	7	ChEMBL_2468256	Inhibition of CDK2/Cyclin E1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50021786	8	ChEMBL_2468257	Inhibition of CDK1/Cyclin E1 (unknown origin) transfected in HEK293 cells by NanoBRET assay
50021786	9	ChEMBL_2468258	Inhibition of CDK1/cyclin B (unknown origin) in presence of 33P-gamma-ATP by scintillation counting method
50021786	10	ChEMBL_2468259	Inhibition of CDK5/p25 (unknown origin) in presence of 33P-gamma-ATP by scintillation counting method
50021786	11	ChEMBL_2468260	Inhibition of CDK9/cyclin T1 (unknown origin) in presence of 33P-gamma-ATP by scintillation counting method
50021787	1	ChEMBL_2468391	Inhibition of human recombinant DHODH by Surface plasmon resonance based analysis
50021787	2	ChEMBL_2468393	Inhibition of DHOH (unknown origin)
50021788	1	ChEMBL_2468400	Agonist activity at NOD2 (unknown origin)
50021789	1	ChEMBL_2468459	Inhibition of Mycobacterium tuberculosis ATCC 25618 Cysteine synthase A
50021790	1	ChEMBL_2468461	Inhibition of NLRP3 inflammasome activation in mouse BMDM cells assessed as reduction in IL-1beta release by ELISA
50021791	1	ChEMBL_2468467	Inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assay
50021791	2	ChEMBL_2468470	Mixed inhibition of recombinant human CYP1B1 using 7-ER as substrate in presence of NADPH by fluorescence based assay
50021791	3	ChEMBL_2468473	Inhibition of human CYP1B1 over-expressed in CHO cells preincubated for 3 hrs followed media replacement containing estradiol without compound measured after 3 hrs
50021792	1	ChEMBL_2468477	Displacement of biotinylated BH3 peptide from N-terminal His6-tagged human Mcl-1 ligand binding domain (172 to 323 residues) expressed in Escherichia coli BL21(DE3) gold pLysS cells preincubated with protein for 2 hrs followed by incubation with BH3 peptide for 2 hrs by DELFIA assay
50021793	1	ChEMBL_2468498	Binding affinity to PNP (unknown origin) assessed as inhibition constant by fluorescence based analysis
50021793	2	ChEMBL_2468499	Binding affinity to human PNP assessed as inhibition constant by HTRF assay
50021793	3	ChEMBL_2468501	Inhibition of human erythrocyte PNP
50021793	4	ChEMBL_2468503	Inhibition of human PNP
50021793	5	ChEMBL_2468506	Inhibition of PNP (unknown origin)
50021793	6	ChEMBL_2468508	Binding affinity to human erythrocyte PNP assessed as inhibition constant by enzymatic assay
50021793	7	ChEMBL_2468509	Binding affinity to human PNP assessed as inhibition constant by TR-FRET assay
50021793	8	ChEMBL_2468514	Binding affinity to Plasmodium falciparum 3D7 PNP assessed as inhibition constant
50021793	9	ChEMBL_2468519	Inhibition of Uridine phosphorylase 1 (unknown origin)
50021794	1	ChEMBL_2468536	Inhibition of COX-2 (unknown origin)
50021794	2	ChEMBL_2468537	Inhibition of MMP-9 (unknown origin)
50021794	3	ChEMBL_2468539	Inhibition of 15-LOX (unknown origin)
50021794	4	ChEMBL_2468540	Inhibition of Helicobacter pylori urease
50021794	5	ChEMBL_2468546	Inhibition of human COX-2
50021796	1	ChEMBL_2468560	Inhibition of 20S proteasome beta-5 (unknown origin)
50021796	2	ChEMBL_2468561	Inhibition of 20S proteasome beta-2 (unknown origin)
50021796	3	ChEMBL_2468564	Inhibition of 20S proteasome beta-5 in human erythrocytes using Suc-LLVY-AMC as substrate by AK-740 assay
50021796	4	ChEMBL_2468565	Inhibition of 20S proteasome beta-2 in human erythrocytes using Boc-LRR-AMC as substrate by AK-740 assay
50021796	5	ChEMBL_2468566	Inhibition of 20S proteasome beta-1 in human erythrocytes using Z-LLE-AMC as substrate by AK-740 assay
50021797	1	ChEMBL_2468590	Binding affinity to PKM2 (unknown origin) assessed as dissociation rate constant (Kd) at 3.125 to 50 uM by SPR analysis
50021797	2	ChEMBL_2468591	Binding affinity to PKM2 (unknown origin) assessed as dissociation constant by SPR analysis
50021799	1	ChEMBL_2468683	Inhibition of RET (unknown origin)
50021799	2	ChEMBL_2468697	Inhibition of TRK (unknown origin)
50021799	3	ChEMBL_2468698	Inhibition of 5FAM-tagged RET (unknown origin) using 5FAM-EPLYWSFPA as substrate incubated for 60 mins
50021800	1	ChEMBL_2468700	Inhibition of BRD4 BD1 (unknown origin) by alphascreen assay
50021800	2	ChEMBL_2468701	Inhibition of BRD4 BD2 (unknown origin) by alphascreen assay
50021800	3	ChEMBL_2468702	Inhibition of BRD4 BD1 (unknown origin) incubated for 15 mins by TR-FRET assay
50021800	4	ChEMBL_2468703	Inhibition of BRD4 BD2 (unknown origin) incubated for 15 mins by TR-FRET assay
50021801	1	ChEMBL_2468726	Binding affinity to human recombinant PSMA using Ac-Asp-Glu as substrate incubated for 1 hr by microplate reader based analysis
50021802	1	ChEMBL_2468890	Inhibition of recombinant SARS-CoV-2 main protease expressed in Escherichia coli BL21 DE3 expression cells using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate incubated for 10 to 15 mins followed by substrate addition by FRET assay
50021802	2	ChEMBL_2468892	Binding affinity to recombinant SARS-CoV-2 main protease expressed in Escherichia coli BL21 DE3 expression cells assessed as dissociation constant measured for 60 secs by SPR analysis
50021802	3	ChEMBL_2468893	Non-covalent inhibition of SARS-CoV-2 main protease incubated for 10 mins followed by substrate addition by FRET assay
50021802	4	ChEMBL_2468894	Non-covalent inhibition of SARS-CoV-2 main protease incubated for 30 mins followed by substrate addition by FRET assay
50021802	5	ChEMBL_2468895	Non-covalent inhibition of SARS-CoV-2 main protease incubated for 50 mins followed by substrate addition by FRET assay
50021802	6	ChEMBL_2468913	Covalent inhibition of SARS-CoV-2 main protease
50021802	7	ChEMBL_2468914	Non-covalent inhibition of SARS-CoV-2 main protease
50021803	1	ChEMBL_2468944	Induction of his-tagged human alpha-Synuclein fibril depolymerization measured for 1 day by ThT fluorescence assay
50021804	1	ChEMBL_2468962	Antagonist activity at capsaicin activated human TRPV1 expressed in HEK293 cells incubated for 30 mins by fluorescence assay
50021804	2	ChEMBL_2468963	Inhibition of human TRPV1 by whole-cell patch clamp method
50021804	3	ChEMBL_2468964	Inhibition of human TRPV3 by whole-cell patch clamp method
50021804	4	ChEMBL_2468965	Inhibition of human TRPV4 by whole-cell patch clamp method
50021804	5	ChEMBL_2468966	Inhibition of human TRPA1 by whole-cell patch clamp method
50021808	1	ChEMBL_2469101	Inhibition of HDAC1 (unknown origin) using p53 residues 379 to 382 [RHKK(Ac)] as fluorogenic substrate
50021808	2	ChEMBL_2469102	Inhibition of HDAC2 (unknown origin)
50021808	3	ChEMBL_2469103	Inhibition of HDAC3 (unknown origin) using p53 residues 379 to 382 [RHKK(Ac)] as fluorogenic substrate
50021808	4	ChEMBL_2469116	Inhibition of PARP1 (unknown origin) using histone/NAD+ as substrates by NAD/NADH-Glo assay
50021808	5	ChEMBL_2469117	Inhibition of PARP2 (unknown origin) using histone/NAD+ as substrates by NAD/NADH-Glo assay
50021810	1	ChEMBL_2469137	Inhibition of JAK2 (unknown origin)
50021811	1	ChEMBL_2469240	Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation constant by Fluorescent thermal shift assay
50021811	2	ChEMBL_2469242	Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation constant by Fluorescent thermal shift assay
50021811	3	ChEMBL_2469245	Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation constant by ITC method
50021811	4	ChEMBL_2469247	Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation constant by ITC method
50021812	1	ChEMBL_2469381	Inhibition of human CA1 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021812	2	ChEMBL_2469382	Inhibition of human CA2 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021812	3	ChEMBL_2469383	Inhibition of human CA9 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021812	4	ChEMBL_2469384	Inhibition of human CA12 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped-flow CO2 hydration assay
50021813	1	ChEMBL_2469478	Inhibition of human recombinant AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate by Ellman's method
50021813	2	ChEMBL_2469479	Inhibition of human BChE by Ellman's method
50021813	3	ChEMBL_2469480	Inhibition of human recombinant MAO A expressed in baculovirus infected in BTI insect cells by spectrofluorimetric method
50021813	4	ChEMBL_2469481	Inhibition of human recombinant MAO B expressed in baculovirus infected in BTI insect cells by spectrofluorimetric method
50021814	1	ChEMBL_2469515	Inhibition of Mycobacterium tuberculosis H37Rv Eis protein using kanamycin as substrate preincubated for 10 mins followed by AcCoA addition and measured every 30 secs for 30 mins
50021814	2	ChEMBL_2469522	Competitive inhibition of Mycobacterium tuberculosis H37Rv Eis protein using varying concentrations of kanamycin as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50021814	3	ChEMBL_2469523	Inhibition of Mycobacterium tuberculosis H37Rv Eis protein using kanamycin as substrate preincubated for 10 mins followed by AcCoA addition and measured every 30 secs for 20 mins
50021815	1	ChEMBL_2469531	Inhibition of human MAO-B preincubated with compound for 10 mins followed by substrate addition and measured after 30 mins
50021815	2	ChEMBL_2469533	Inhibition of human MAO-A preincubated with compound for 10 mins followed by substrate addition and measured after 30 mins
50021815	3	ChEMBL_2469535	Competitive inhibition of human MAO-B assessed as inhibition constant by Lineweaver-Burk plot analysis
50021816	1	ChEMBL_2469564	Inhibition of PARP1 (unknown origin)
50021816	2	ChEMBL_2469565	Inhibition of human PARP1
50021816	3	ChEMBL_2469566	Inhibition of PARP2 (unknown origin)
50021816	4	ChEMBL_2469567	Inhibition of PARP3 (unknown origin)
50021816	5	ChEMBL_2469570	Inhibition of human PARP2
50021816	6	ChEMBL_2469580	Inhibition of human recombinant PARP1 expressed in Escherichia coli BL21(DE3)
50021816	7	ChEMBL_2469583	Inhibition of human recombinant PARP-1 by ELISA assay
50021816	8	ChEMBL_2469584	Inhibition of PARP1 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50021816	9	ChEMBL_2469585	Inhibition of PARP2 (unknown origin) using biotinylated NAD+ as substrate by luminescence assay
50021817	1	ChEMBL_2469666	Inhibition of recombinant human HDAC1 using Ac-Val-Gly-(NAc)Lys-AMC as substrate incubated for 30 mins by fluorescence based assay
50021817	2	ChEMBL_2469667	Inhibition of recombinant human HDAC6 using Ac-Val-Gly-(NAc)Lys-AMC as substrate incubated for 30 mins by fluorescence based assay
50021817	3	ChEMBL_2469668	Antagonist activity at C-terminal RLucII-fused human ER-alpha expressed in HEK293T cells co-expressing CoA-YFP-fused LXXLL coactivator motif from NCOA2 in presence of E2 by BRET assay
50021818	1	ChEMBL_2469770	Inhibition of human CYP11B2 expressed in HEK293-A cells harboring FDXR/FDX using deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr
50021818	2	ChEMBL_2469771	Inhibition of mouse CYP11B2 expressed in HEK293-A cells using deoxycorticosterone as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by HTRF method
50021818	3	ChEMBL_2469772	Inhibition of human CYP11B1 expressed in HEK293-A cells
50021819	1	ChEMBL_2469976	Inhibition of human LMP7 beta -5i subunit using Ac-ANW-AMC as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021819	2	ChEMBL_2469977	Inhibition of human LMP2 beta-1i subunit using Ac-PAL-AMC as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021819	3	ChEMBL_2469978	Inhibition of human 20S proteosome beta5c subunit using Ac-WLA-AMC as substrate preincubated with compound for 30 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021820	1	ChEMBL_2469988	Inhibition of Escherichia coli DNA gyrase supercoiling using relaxed pNO1 as substrate measured after 30 mins by SybrGOLD staining based fluorescence analysis
50021821	1	ChEMBL_2469989	Inhibition of beta-catenin (unknown origin)/BCL9 (unknown origin) protein-protein interaction by ELISA analysis
50021821	2	ChEMBL_2469990	Inhibition of beta-catenin (unknown origin)/BCL9 (unknown origin) protein-protein interaction
50021821	3	ChEMBL_2469991	Inhibition of full length his-tagged human beta-catenin (1 to 781 residues) expressed in Escherichia coli DE3/N-terminal FAM-tagged human BCL9 (350 to 375 residues) protein-protein interaction incubated for 2 hrs by fluorescence polarization assay
50021821	4	ChEMBL_2469993	Binding affinity to full length his-tagged human beta-catenin (1 to 781 residues) expressed in Escherichia coli DE3 assessed as dissociation constant by SPR analysis
50021822	1	ChEMBL_2470028	Binding affinity to biotinylated KRAS G12D mutant (unknown origin) incubated for 120 mins by SPR analysis
50021823	1	ChEMBL_2470358	Agonist activity at TLR2 in PMA-differentiated human THP-1 cells assessed as increase in TNF-alpha level by ELISA
50021823	2	ChEMBL_2470362	Agonist activity at TLR2 in RmGM-CSF-induced wild type Black6 mouse BMDC cells lacking TLR4 assessed as increase in TNFalpha response incubated overnight by ELISA
50021824	1	ChEMBL_2470417	Inhibition of recombinant human POLRMT by Phosphor imaging analysis
50021825	1	ChEMBL_2470508	Inhibition of CB2 (unknown origin)
50021826	1	ChEMBL_2470509	Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residues) expressed in Baculovirus infected Sf9 cell expression system by ELISA analysis
50021826	2	ChEMBL_2470510	Inhibition of human recombinant VEGFR2 (805 to 1356 residues) in presence of ATP by ELISA analysis
50021826	3	ChEMBL_2470511	Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residues) expressed in Baculovirus infected Sf9 cell expression system assessed as inhibition constant by ELISA analysis
50021827	1	ChEMBL_2470557	Inhibition of EGFR (unknown origin)
50021827	2	ChEMBL_2470558	Inhibition of BRAF V600E mutant (unknown origin)
50021827	3	ChEMBL_2470563	Inhibition of BRAF V600E mutant (unknown origin) assessed as inhibition constant
50021827	4	ChEMBL_2470569	Inhibition of his6-tagged EGFR (unknown origin) (641 to 1186 residues) expressed in baculovirus Sf9 cells incubated for 1 hr in presence of ATP and MgCl2 by DELFIA/Time-Resolved fluorometry analysis
50021828	1	ChEMBL_2470603	Displacement of [3H] Ketanserin from 5HT2A receptor (unknown origin) incubated for 0.5 hrs by microbeta2 plate reader assay
50021829	1	ChEMBL_2470613	Inhibition of EGFR (unknown origin) mediated phosphorylation incubated for 2 hrs in presence of ATP by Z-LYTE assay
50021829	2	ChEMBL_2470619	Inhibition of EGFR (unknown origin) mediated phosphorylation incubated for 1 hr in presence of ATP by Z-LYTE assay
50021831	1	ChEMBL_2470634	Binding affinity to recombinant human TMPRSS6 using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	2	ChEMBL_2470635	Binding affinity to recombinant human Matriptase using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	3	ChEMBL_2470639	Competitive tight binding inhibition of recombinant human Matriptase using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	4	ChEMBL_2470640	Mixed inhibition of recombinant human Matriptase using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	5	ChEMBL_2470641	Competitive tight binding inhibition of recombinant human TMPRSS6 using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	6	ChEMBL_2470644	Inhibition of recombinant human thrombin using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	7	ChEMBL_2470645	Inhibition of recombinant human FXA using Boc-QAR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	8	ChEMBL_2470646	Inhibition of recombinant human furin using Boc-RVRR-AMC as substrate assessed as inhibition constant by fluorescence based analysis
50021831	9	ChEMBL_2470647	Inhibition of thrombin (unknown origin)
50021831	10	ChEMBL_2470648	Inhibition of FXA (unknown origin)
50021831	11	ChEMBL_2470649	Inhibition of furin (unknown origin)
50021831	12	ChEMBL_2470651	Inhibition of human TMPRSS6 transfected in HEK293SL cells using Boc-QAR-AMC as substrate measured for 24 hrs
50021831	13	ChEMBL_2470652	Inhibition of human Matriptase transfected in HEK293SL cells using Boc-QAR-AMC as substrate measured for 24 hrs
50021833	1	ChEMBL_2470671	Binding affinity to recombinant his tagged EPHA2 (D596 to G900 residues) (unknown origin) expressed in Escherichia coli rosetta BL21(D3)-R3-pRARE2 competent cells assessed as dissociation constant by surface plasmon resonance method
50021833	2	ChEMBL_2470672	Binding affinity to recombinant his tagged GAK (unknown origin) assessed as dissociation constant by surface plasmon resonance method
50021833	3	ChEMBL_2470673	Inhibition of full length EPHA2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K4 tracer by NanoBRET assay
50021833	4	ChEMBL_2470674	Inhibition of full length EPHA4 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K4 tracer by NanoBRET assay
50021833	5	ChEMBL_2470675	Inhibition of full length GAK (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K10 tracer by NanoBRET assay
50021833	6	ChEMBL_2470676	Inhibition of full length ABL1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K4 tracer by NanoBRET assay
50021833	7	ChEMBL_2470677	Inhibition of full length FGFR1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K10 tracer by NanoBRET assay
50021833	8	ChEMBL_2470678	Inhibition of full length FLT1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs in presence of K9 tracer by NanoBRET assay
50021834	1	ChEMBL_2470759	Inhibition of recombinant human haspin (470 to 798 residues) expressed in bacteria using ARTKQTARKSTGGKAPRKQLA as substrate incubated for 30 mins in presence of ATP by ADP-Glo kinase assay
50021834	2	ChEMBL_2470760	Inhibition of haspin (unknown origin)
50021834	3	ChEMBL_2470761	Inhibition of haspin (unknown origin) incubated for 3 hrs in presence of ATP by ADP-Glo kinase assay
50021834	4	ChEMBL_2470762	Inhibition of recombinant human N-terminal GST-tagged haspin (470 to end residues) expressed in baculovirus infected Sf9 cells using histone H3 peptide as substrate by ADP-Glo kinase assay
50021834	5	ChEMBL_2470763	Inhibition of human haspin preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	6	ChEMBL_2470787	Inhibition of full-length N-terminal GST-tagged human CDK2 (1 to 298 residues) / GST-tagged CyclinA2 (1 to 432 residues) expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	7	ChEMBL_2470788	Inhibition of full-length N-terminal GST-tagged human CDK5 (1 to 292 residues) /p25 (99 to 307 residues) expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	8	ChEMBL_2470789	Inhibition of full-length N-terminal GST-tagged human CDK9 (1 to 372 residues) /His-tagged Cyclin T1 (1 to 726 residues) expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	9	ChEMBL_2470790	Inhibition of full-length N-terminal GST-tagged human GSK3alpha (1 to 483 residues) expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	10	ChEMBL_2470791	Inhibition of full-length N-terminal GST-tagged human GSK3beta (1 to 420 residues) expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	11	ChEMBL_2470792	Inhibition of human CDK1/CyclinB1 preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021834	12	ChEMBL_2470793	Inhibition of human wild type Aurora B preincubated for 30 mins followed by ATP and ULight-histone H3 peptide/ULight-eIF4E binding protein addition and measured after 2 hrs by LANCE Ultra TR-FRET assay
50021835	1	ChEMBL_2470799	Inhibition of DYRK1A (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	2	ChEMBL_2470800	Inhibition of CDK9/Cyclin T1 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	3	ChEMBL_2470801	Inhibition of GSK-3beta (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	4	ChEMBL_2470844	Inhibition of DYRK1B (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	5	ChEMBL_2470845	Inhibition of DYRK2 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	6	ChEMBL_2470846	Inhibition of DYRK3 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	7	ChEMBL_2470847	Inhibition of DYRK4 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	8	ChEMBL_2470848	Inhibition of CLK1 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	9	ChEMBL_2470849	Inhibition of CLK3 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	10	ChEMBL_2470850	Inhibition of CLK4 (unknown origin) preincubated with enzyme for 10 mins followed by substrate and ATP addition measured after 60 mins by ADP-Glo reagent based assay
50021835	11	ChEMBL_2470863	Inhibition of DYRK1A in human HEK293T cells expressing human Tau P301L mutant assessed as downregulation of Tau phosphorylation at Thr212 residue incubated for 24 hrs by Western blot analysis
50021835	12	ChEMBL_2470865	Inhibition of DYRK1A in human SH-SY5Y cells expressing human Tau P301L mutant assessed as downregulation of Tau phosphorylation at Thr212 residue incubated for 24 hrs by Western blot analysis
50021837	1	ChEMBL_2471088	Inhibition of Hsp110 (unknown origin) binding to ATP assessed as dissociation constant (Rvb = 3.37 microM)
50021840	1	ChEMBL_2471153	Displacement of fluorescent A3R antagonist 6-(2-(4-(2-(5,5-difluoro-7-(thiophen-2-yl)-5H-4lambda(4),5lambda(4)-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)vinyl)phenoxy)acetamido)-N-(5-((3-((2-(2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamido)ethyl)amino)-3-oxopropyl)amino)-5-oxopentyl)hexanamide from nanoluciferase-tagged rat A3R expressed in HEK293 cells by NanoBRET assay
50021840	2	ChEMBL_2471173	Displacement of [3H]-HEMADO from human A3R transfected in CHO cell membranes by radioligand binding assay
50021841	1	ChEMBL_2471282	Inhibition of 6-His tagged BRAF V600E mutant (445 to 723 residues) (unknown origin)
50021841	2	ChEMBL_2471283	Inhibition of BRAF V600E mutant in human A-375 cells assessed as reduction in ERK phosphorylation
50021843	1	ChEMBL_2471386	Induction of ERalpha degradation in human MCF7 cells
50021844	1	ChEMBL_2471461	Inhibition of HDAC6 (unknown origin)
50021844	2	ChEMBL_2471477	Inhibition of HDAC1 (unknown origin)
50021845	1	ChEMBL_2471550	Antagonist activity at human P2X3R expressed in HEK293 cells incubated for 18 hrs by Fluo-4 dye based microplate reader assay
50021845	2	ChEMBL_2471552	Antagonist activity at human P2X2/3R expressed in HEK293 cells incubated for 18 hrs by Fluo-4 dye based microplate reader assay
50021845	3	ChEMBL_2471558	Antagonist activity at human P2X1 receptor expressed in 1321N1 cells incubated for 30 mins in presence of ATP by Fluo-4 dye based microplate reader assay
50021845	4	ChEMBL_2471559	Antagonist activity at human P2X2 receptor expressed in 1321N1 cells incubated for 30 mins in presence of ATP by Fluo-4 dye based microplate reader assay
50021845	5	ChEMBL_2471560	Antagonist activity at human P2X4 receptor expressed in 1321N1 cells incubated for 30 mins in presence of ATP by Fluo-4 dye based microplate reader assay
50021845	6	ChEMBL_2471561	Antagonist activity at human P2X7 receptor expressed in 1321N1 cells incubated for 30 mins in presence of Bz-ATP by Fluo-4 dye based microplate reader assay
50021845	7	ChEMBL_2471567	Antagonist activity at alpha, beta-meATP activated human P2X3 receptor by Fluo-4 dye based microplate reader assay
50021845	8	ChEMBL_2471570	Antagonist activity at human P2X3 receptor assessed as reduction in calcium level incubated for 18 hrs by Fluo-4 AM dye based assay
50021845	9	ChEMBL_2471571	Antagonist activity at human P2X2/3 receptor assessed as reduction in calcium level incubated for 18 hrs by Fluo-4 AM dye based assay
50021845	10	ChEMBL_2471572	Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as reduction in calcium level preincubated for 3 mins followed by alpha, beta-meATP addition and measured after 3 mins by Fluo-4 AM dye based microplate reader assay
50021845	11	ChEMBL_2471573	Antagonist activity at human P2X2/3 receptor expressed in 1321N1 cells assessed as reduction in calcium level preincubated for 3 mins followed by alpha, beta-meATP addition and measured after 3 mins by Fluo-4 AM dye based microplate reader assay
50021845	12	ChEMBL_2471574	Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as reduction in calcium level preincubated for 30 mins followed by alpha, beta-meATP addition by Fluo-4 AM dye based microplate reader assay
50021845	13	ChEMBL_2471575	Antagonist activity at human P2X2/3 receptor expressed in 1321N1 cells assessed as reduction in calcium level preincubated for 30 mins followed by alpha, beta-meATP addition by Fluo-4 AM dye based microplate reader assay
50021845	14	ChEMBL_2471576	Antagonist activity at human P2X3 receptor
50021845	15	ChEMBL_2471577	Antagonist activity at human P2X2/3 receptor
50021845	16	ChEMBL_2471578	Antagonist activity at human P2X3 receptor expressed in HEK293 cells preincubated for 30 mins followed by alpha, beta me-ATP addition and measured for 10 mins by Fluo-8 dye based FLIPR assay
50021845	17	ChEMBL_2471579	Antagonist activity at human P2X2/3 receptor expressed in HEK293 cells preincubated for 30 mins followed by alpha, beta me-ATP addition and measured for 10 mins by Fluo-8 dye based FLIPR assay
50021845	18	ChEMBL_2471580	Antagonist activity at rat P2X2/3 receptor
50021846	1	ChEMBL_2471634	Inhibition of human IDO1 using tryptophan as substrate assessed as reduction in N-formylkynurenine formation preincubated with compound for 5 mins followed by tryptophan addition and measured after 30 mins
50021846	2	ChEMBL_2471635	Inhibition of full length N-terminal/C-terminal his-tagged human TDO expressed in Escherichia coli BL21 (DE3) assessed as N-formylkynurenine formation using L-tryptophan as substrate by UV2100 spectrophotometer analysis
50021846	3	ChEMBL_2471636	Inhibition of human TDO assessed as N-formylkynurenine formation using L-tryptophan as substrate by UV2100 spectrophotometer analysis
50021847	1	ChEMBL_2471700	Binding affinity to His6-tagged GID4 (114 to 300 residues)(unknown origin) expressed in Escherichia coli Rosetta (DE3) assessed as dissociation constant by ITC analysis
50021848	1	ChEMBL_2471735	Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) transfected in Transetta cells preincubated for 20 mins followed by N-(2-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)ethyl)-3-(2-(5-methyl-[1,1'-biphenyl]-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide probe addition and measured after 1 hr by fluorescence polarization assay
50021848	2	ChEMBL_2471736	Inhibition of N-terminal His6-tagged CSN5 (2 to 257 residues) (unknown origin) transfected in Transetta cells preincubated for 20 mins followed by N-(2-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thioureido)ethyl)-3-(2-(5-methyl-[1,1'-biphenyl]-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide probe addition and measured after 1 hr by fluorescence based microplate reader assay
50021850	1	ChEMBL_2471778	Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in Jump-In GripTite HEK293 cell membrane measured after 3 hrs incubation by scintillation proximity assay (SPA)
50021850	2	ChEMBL_2471779	Displacement of [3H]ketanserin from human 5-HT2C receptor transfected in Jump-In GripTite HEK293 cell membrane measured after 3 hrs incubation by scintillation proximity assay (SPA)
50021851	1	ChEMBL_2471800	Inhibition of PTP1B (unknown origin)
50021852	1	ChEMBL_2471920	Inhibition of ATR (unknown origin)
50021853	1	ChEMBL_2472173	Agonist activity at GAL4-tagged human PPARalpha transfected in African green monkey COS7 cells assessed as transcriptional activation by measuring effective concentration incubated for 24 hrs by luciferase assay
50021853	2	ChEMBL_2472174	Agonist activity at GAL4-tagged human PPARbeta/delta transfected in African green monkey COS7 cells assessed as transcriptional activation by measuring effective concentration incubated for 24 hrs by luciferase assay
50021853	3	ChEMBL_2472175	Agonist activity at GAL4-tagged human PPARgamma transfected in African green monkey COS7 cells assessed as transcriptional activation by measuring effective concentration incubated for 24 hrs by luciferase assay
50021854	1	ChEMBL_2472180	Inhibition of SARS-Cov-2 MPro assessed as inhibition constant by FRET assay
50021854	2	ChEMBL_2472307	Inhibition of BCRP (unknown origin) expressed in HEK293 cells using rosuvastatin as substrate
50021854	3	ChEMBL_2472308	Inhibition of MDR1 (unknown origin) expressed in HEK293 cells using N-methyl quinidine as substrate
50021854	4	ChEMBL_2472309	Inhibition of OAT3 (unknown origin) expressed in HEK293 cells using [3H]-estrone-3-sulfate probe as substrate
50021854	5	ChEMBL_2472310	Inhibition of OCT1 (unknown origin) expressed in HEK293 cells using [14C]-metformin probe as substrate
50021854	6	ChEMBL_2472311	Inhibition of OCT2 (unknown origin) expressed in HEK293 cells using [14C]-metformin probe as substrate
50021854	7	ChEMBL_2472312	Inhibition of MATE1 (unknown origin) expressed in HEK293 cells using [14C]-metformin probe as substrate
50021855	1	ChEMBL_2472422	Binding affinity to C-terminal human REV-1 assessed as dissociation constant incubated for 30 mins by MST assay
50021856	1	ChEMBL_2472508	Inhibition of HIF-PHD2 (unknown origin)
50021857	1	ChEMBL_2472521	Inhibition of recombinant human ALK5 by TR-FRET assay
50021857	2	ChEMBL_2472522	Inhibition of ALK5 (unknown origin) in presence of ATP
50021857	3	ChEMBL_2472523	Inhibition of ALK5 (unknown origin) by TR-FRET assay
50021857	4	ChEMBL_2472524	Inhibition of ALK1 (unknown origin) by TR-FRET assay
50021857	5	ChEMBL_2472525	Inhibition of ALK2 (unknown origin) by TR-FRET assay
50021857	6	ChEMBL_2472526	Inhibition of ALK3 (unknown origin) by TR-FRET assay
50021857	7	ChEMBL_2472527	Inhibition of ALK4 (unknown origin) by TR-FRET assay
50021857	8	ChEMBL_2472528	Inhibition of ALK6 (unknown origin) by TR-FRET assay
50021857	9	ChEMBL_2472529	Inhibition of ACTR2B (unknown origin) by TR-FRET assay
50021858	1	ChEMBL_2472598	Inhibition of HIV-1 integrase strand transfer activity
50021858	2	ChEMBL_2472601	Inhibition of HIV-1 integrase
50021858	3	ChEMBL_2472605	Inhibition of TYK2 (unknown origin) (575 to 869 residues) by HTRF assay
50021858	4	ChEMBL_2472606	Inhibition of TYK2 (unknown origin)
50021859	1	ChEMBL_2472607	Inhibition of HDAC8 (unknown origin) by SAMDI high throughput mass spectrometry
50021860	1	ChEMBL_2472667	Inhibition of HTRA1 (unknown origin)
50021861	1	ChEMBL_2472673	Competitive inhibition of human tyrosinase using L-DOPA as substrate by spectrophotometric analysis
50021861	2	ChEMBL_2472674	Inhibition of human tyrosinase
50021861	3	ChEMBL_2472675	Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometric analysis
50021861	4	ChEMBL_2472676	Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate assessed as inhibition constant by Lineweaver-Burk plots analysis
50021862	1	ChEMBL_2472755	Inhibition of tyrosinase (unknown origin)
50021862	2	ChEMBL_2472756	Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometric analysis
50021862	3	ChEMBL_2472757	Inhibition of AChE (unknown origin)
50021862	4	ChEMBL_2472758	Inhibition of human BChE using butyrylthiocholine iodide as substrate incubated for 15 mins by spectrophotometric Ellman's method
50021862	5	ChEMBL_2472759	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method
50021863	1	ChEMBL_2472775	Inhibition of JAK1 (unknown origin)
50021863	2	ChEMBL_2472797	Inhibition of GST-tagged JAK1 (unknown origin) expressed in insect cells by Alphascreen assay
50021863	3	ChEMBL_2472798	Inhibition of GST-tagged JAK2 (unknown origin) expressed in insect cells by Alphascreen assay
50021864	1	ChEMBL_2472799	Inhibition of human recombinant PDHK2 assessed as residual PDH activity in presence of ATP using sodium pyruvate/Coenzyme A/thiamine pyrophosphate as substrates incubated for 90 mins by UV-transparent microplate analysis
50021864	2	ChEMBL_2472803	Inhibition of PDHK1 (unknown origin)
50021864	3	ChEMBL_2472804	Inhibition of PDHK3 (unknown origin)
50021864	4	ChEMBL_2472805	Inhibition of PDHK4 (unknown origin)
50021865	1	ChEMBL_2472818	Inhibition of ENPP1 (unknown origin)
50021865	2	ChEMBL_2472819	Inhibition of ENPP3 (unknown origin)
50021865	3	ChEMBL_2472820	Inhibition of ENPP2 (unknown origin)
50021865	4	ChEMBL_2472821	Inhibition of ENPP6 (unknown origin)
50021865	5	ChEMBL_2472826	Inhibition of ENPP1 (unknown origin) assessed as reduction in ATP hydrolysis by AMP-Glo assay
50021865	6	ChEMBL_2472827	Inhibition of ENPP1 (unknown origin) assessed as reduction in 2'3'-cGAMP hydrolysis by AMP-Glo assay
50021865	7	ChEMBL_2472828	Inhibition of ENPP3 (unknown origin) assessed as reduction in ATP hydrolysis by AMP-Glo assay
50021865	8	ChEMBL_2472829	Inhibition of ENPP3 (unknown origin) assessed as reduction in 2'3'-cGAMP hydrolysis by AMP-Glo assay
50021866	1	ChEMBL_2472846	Inhibition of human SGLT2
50021867	1	ChEMBL_2472852	Inhibition of EGFR (unknown origin)
50021867	2	ChEMBL_2472857	Inhibition of RAF1- induced activation of MEK (unknown origin) signalling pathway assessed as reduction in MEK1 phosphorylation
50021867	3	ChEMBL_2472858	Inhibition of RAF1- induced activation of MEK (unknown origin) signalling pathway assessed as reduction in ERK1/2 phosphorylation
50021868	1	ChEMBL_2472900	Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay
50021868	2	ChEMBL_2472901	Inhibition of BRD4 BD2 (unknown origin) by TR-FRET assay
50021868	3	ChEMBL_2472921	Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	4	ChEMBL_2472922	Binding affinity to BRD4 BD2 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	5	ChEMBL_2472924	Binding affinity to BRD2 BD1 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	6	ChEMBL_2472925	Binding affinity to BRD2 BD2 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	7	ChEMBL_2472926	Binding affinity to BRD3 BD1 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	8	ChEMBL_2472927	Binding affinity to BRD3 BD2 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	9	ChEMBL_2472928	Binding affinity to BRDT BD1 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	10	ChEMBL_2472929	Binding affinity to BRDT BD2 (unknown origin) assessed as dissociation constant by BROMOscan assay
50021868	11	ChEMBL_2472930	Inhibition of BRD4 BD1 (unknown origin)
50021868	12	ChEMBL_2472931	Inhibition of BRD4 BD2 (unknown origin)
50021870	1	ChEMBL_2472933	Inhibition of BRD4 BD1 (unknown origin)
50021870	2	ChEMBL_2472934	Inhibition of BRD4 BD2 (unknown origin)
50021871	1	ChEMBL_2472955	Inhibition of EGFR L858R/T790M mutant (unknown origin) by mobility shift assay
50021871	2	ChEMBL_2472956	Inhibition of wild-type EGFR (unknown origin)
50021871	3	ChEMBL_2472959	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50021871	4	ChEMBL_2472960	Inhibition of wild-type EGFR (unknown origin) using TK as substrate incubated for 120 mins in presence of ATP by HTRF assay
50021871	5	ChEMBL_2472965	Inhibition of EGFR L858R/T790M (unknown origin)
50021871	6	ChEMBL_2472966	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50021871	7	ChEMBL_2472967	Inhibition of human wild-type EGFR
50021872	1	ChEMBL_2472983	Inhibition of 6His-tagged human UCHL1 using Ub-Rh110Gly as fluorogenic substrate preincubated for 1 hr followed by substrate addition by plate reader analysis
50021873	1	ChEMBL_2473068	Inhibition of Xanthine oxidase (unknown origin)
50021873	2	ChEMBL_2473069	Inhibition of Xanthine oxidase (unknown origin) using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotometric analysis
50021873	3	ChEMBL_2473070	Inhibition of bovine serum Xanthine oxidase
50021873	4	ChEMBL_2473071	Inhibition of bovine xanthine oxidase using xanthine as substrate by measuring uric acid formation measured 30 secs interval for 2 mins by spectrophotometric analysis
50021873	5	ChEMBL_2473072	Inhibition of bovine Xanthine oxidase using xanthine as substrate by measuring uric acid formation by spectrophotometric analysis
50021873	6	ChEMBL_2473073	Inhibition of human Xanthine oxidase
50021873	7	ChEMBL_2473074	Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincubated for 30 mins followed by substrate addition by spectrophotometric analysis
50021874	1	ChEMBL_2473080	Binding affinity to human recombinant PLA2 receptor assessed as dissociation constant by SPR analysis
50021875	1	ChEMBL_2473093	Binding affinity to human CRBN TBD (319 to 425 residues) assessed as inhibition constant by MST assay
50021876	1	ChEMBL_2473117	Antagonist activity at full length human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular Ca2+ flux in presence of 10 uM AITC by Fluo4-AM dye based fluorescence analysis
50021876	2	ChEMBL_2473129	Antagonist activity at full length human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular Ca2+ flux by Fluo4-AM dye based fluorescence analysis
50021876	3	ChEMBL_2473131	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular Ca2+ flux in presence of 5 uM AITC by Fluo4-AM dye based fluorescence analysis
50021876	4	ChEMBL_2473137	Antagonist activity at human TRPA1 expressed in HEK293T cells assessed as inhibition of AITC-induced current by whole cell patch clamp analysis
50021876	5	ChEMBL_2473139	Antagonist activity at human TRPA1
50021877	1	ChEMBL_2473140	Inhibition of PDE4 (unknown origin) using [3H]cAMP/[3H]cGMP as substrate incubated for 15 mins by phosphodiesterase scintillation proximity assay
50021878	1	ChEMBL_2473225	Inhibition of human TRPV3 expressed in CHO cells assessed as reduction in 2-APB induced channel current at -80 mV by whole-cell patch clamp electrophysiology
50021878	2	ChEMBL_2473226	Inhibition of human TRPV3 expressed in CHO cells assessed as reduction in 2-APB induced channel current at +80 mV by whole-cell patch clamp electrophysiology
50021878	3	ChEMBL_2473233	Inhibition of TRPV3 in human HaCaT cells assessed as reduction in carvacrol-induced calcium influx measured for 60 mins by Fluo-4-AM dye based fluorescence assay
50021878	4	ChEMBL_2473250	Inhibition of mouse TRPV3 expressed in HEK293 cells assessed as reduction in 2-APB evoked current at -60 mV holding potential by whole-cell patch clamp method
50021878	5	ChEMBL_2473253	Inhibition of human TRPV3 expressed in HEK293 cells assessed as reduction in 2-APB induced channel current at voltage ramp from -100 to +100 mV by whole-cell patch clamp electrophysiology
50021879	1	ChEMBL_2473258	Inhibition of CD4 (unknown origin)
50021879	2	ChEMBL_2473259	Inhibition of HDAC1 (unknown origin)
50021879	3	ChEMBL_2473260	Inhibition of JAK1 (unknown origin)
50021879	4	ChEMBL_2473263	Inhibition of human HDAC1 using Arg-His-Lys-Lys (Ac) as substrate incubated for 2 hrs by fluorescence assay
50021879	5	ChEMBL_2473264	Inhibition of HDAC6 (unknown origin) using Ac-peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50021879	6	ChEMBL_2473269	Inhibition of FGFR1 (unknown origin)
50021879	7	ChEMBL_2473270	Inhibition of FGFR2 (unknown origin)
50021879	8	ChEMBL_2473271	Inhibition of FGFR3 (unknown origin)
50021879	9	ChEMBL_2473272	Inhibition of FGFR4 (unknown origin)
50021880	1	ChEMBL_2473325	Inhibition of Trypanosoma cruzi cruzain
50021881	1	ChEMBL_2473374	Binding affinity to prolidase (unknown origin) assessed as inhibition constant
50021881	2	ChEMBL_2473375	Inhibition of prolidase (unknown origin)
50021881	3	ChEMBL_2473376	Inhibition of prolidase (unknown origin) by scintillation counting analysis
50021881	4	ChEMBL_2473378	Competitive inhibition of prolidase (unknown origin) in erythrocytes assessed as inhibition constant
50021881	5	ChEMBL_2473379	Binding affinity to human prolidase assessed as inhibition constant
50021882	1	ChEMBL_2473394	Inhibition of mushroom tyrosinase using L-DOPA as substrate incubated for 30 mins by absorbance based microplate reader analysis
50021882	2	ChEMBL_2473395	Inhibition of mushroom tyrosinase using L-tyrosine as substrate incubated for 30 mins by absorbance based microplate reader analysis
50021882	3	ChEMBL_2473415	Binding affinity to mushroom tyrosinase using L-DOPA as substrate assessed as inhibition constant by Dixon plot analysis
50021884	1	ChEMBL_2473418	Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI cells using benzylamine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 20 mins by Amplex Red reagent based fluorescence analysis
50021884	2	ChEMBL_2473419	Inhibition of human recombinant MAO-A using p-tyramine as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 20 mins by Amplex Red reagent based fluorescence analysis
50021885	1	ChEMBL_2473437	Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	2	ChEMBL_2473438	Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	3	ChEMBL_2473439	Inhibition of human ALK3 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	4	ChEMBL_2473440	Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	5	ChEMBL_2473441	Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	6	ChEMBL_2473442	Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	7	ChEMBL_2473443	Inhibition of ALK2 (unknown origin)
50021885	8	ChEMBL_2473447	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	9	ChEMBL_2473448	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	10	ChEMBL_2473449	Inhibition of human KHS using myelin basic protein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	11	ChEMBL_2473450	Inhibition of human TNIK using RLGRDKYKTLRQIRQ as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assay
50021885	12	ChEMBL_2473460	Inhibition of ALK1 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	13	ChEMBL_2473461	Inhibition of ALK2 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	14	ChEMBL_2473462	Inhibition of ALK3 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	15	ChEMBL_2473463	Inhibition of ALK4 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	16	ChEMBL_2473464	Inhibition of ALK5 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	17	ChEMBL_2473465	Inhibition of ALK6 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assay
50021885	18	ChEMBL_2473466	Inhibition of DDR1 NanoLuc fusion construct (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50021885	19	ChEMBL_2473467	Inhibition of FLT3 NanoLuc fusion construct (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50021885	20	ChEMBL_2473468	Inhibition of KHS NanoLuc fusion construct (unknown origin) expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay
50021885	21	ChEMBL_2473488	Inhibition of ALK1/2 in HEK293 cells transfected with BMP response element luciferase based reporter assessed as inhibition of BMP7-induced SMAD-dependent transcriptional activity incubated for 24 hrs in presence of BMP7 by dual-luciferase based reporter gene assay
50021885	22	ChEMBL_2473489	Inhibition of ALK1/2 in HEK293 cells transfected with CAGA response element luciferase based reporter assessed as inhibition of activin A-induced SMAD-dependent transcriptional activity incubated for 24 hrs in presence of activin A by dual-luciferase based reporter gene assay
50021885	23	ChEMBL_2473490	Inhibition of ALK1/2 in HEK293 cells transfected with CAGA response element luciferase based reporter assessed as inhibition of TGF beta1-induced SMAD-dependent transcriptional activity incubated for 24 hrs in presence of TGF beta1 by dual-luciferase based reporter gene assay
50021886	1	ChEMBL_2473595	Inhibition of Cav2.2 in human SH-SY5Y cells assessed as inhibition of calcium influx preincubated 300 secs followed by addition of KCL/CaCl2 and measured for 300 secs in presence of Cav1 blocker nifedipine by calcium 6 dye based calcium influx assay
50021887	1	ChEMBL_2473638	Inhibition of Plasmodium falciparum DXR
50021887	2	ChEMBL_2473639	Inhibition of Plasmodium falciparum DXR expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate in presence of NADPH by UV-visible spectrophotometry
50021887	3	ChEMBL_2473643	Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate preincubated for 10 mins followed by NADPH addition and measured after 5 mins by spectrophotometric assay
50021887	4	ChEMBL_2473644	Inhibition of Mycobacterium tuberculosis DXR expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate in presence of NADPH by UV-visible spectrophotometry
50021889	1	ChEMBL_2473657	Inhibition of human C-terminal His-tagged CA-9 (59 to 414 residues) expressed in baculovirus infected Sf9 insect cells
50021890	1	ChEMBL_2473681	Binding affinity to C5a (unknown origin) assessed as dissociation constant incubated for 1 hr by CD analysis
50021890	2	ChEMBL_2473682	Binding affinity to C5a (unknown origin) assessed as dissociation constant by fluorescence quenching analysis
50021890	3	ChEMBL_2473687	Binding affinity to N-terminal peptide SR3 of C5aR1 (1 to 28 residues)(unknown origin) assessed as dissociation constant by fluorescence based analysis
50021890	4	ChEMBL_2473688	Binding affinity to N-terminal peptide SR5 of C5aR1 (1 to 28 residues)(unknown origin) assessed as dissociation constant by fluorescence based analysis
50021890	5	ChEMBL_2473689	Binding affinity to N-terminal peptide SR12 of C5aR2 (6 to 32 residues)(unknown origin) assessed as dissociation constant by fluorescence based analysis
50021890	6	ChEMBL_2473690	Binding affinity to N-terminal peptide SR13 of C5aR2 (14 to 32 residues)(unknown origin) assessed as dissociation constant by fluorescence based analysis
50021891	1	ChEMBL_2473699	Inhibition of human full length CDK2 (1 to 298 residues)/N-terminal GST-tagged Cyclin E1 (1 to 410 residues) expressed in baculovirus expression system using fluorescence-based kinase probe as substrate by stopped flow fluorescence spectrometric analysis
50021891	2	ChEMBL_2473700	Inhibition of CDK2 in human OVCAR-3 cells assessed as reduction in Rb phosphorylation at T821 residue measured after 120 hrs by AlphaLISA assay
50021891	3	ChEMBL_2473701	Inhibition of CDK2 in human OVCAR-3 cells assessed as reduction in Rb phosphorylation at T821 residue treated for 4 hrs followed by drug wash-out and measured after 120 hrs by AlphaLISA assay
50021891	4	ChEMBL_2473702	Inhibition of CDK2 in human OVCAR-3 cells assessed as reduction in Rb phosphorylation at T821 residue measured after 18 hrs by AlphaLISA assay
50021891	5	ChEMBL_2473703	Inhibition of CDK2 in human OVCAR-3 cells assessed as reduction in Rb phosphorylation at T821 residue treated for 4 hrs followed by drug wash-out and measured after 18 hrs by AlphaLISA assay
50021891	6	ChEMBL_2473708	Reversible inhibition of human full length CDK2 (1 to 298 residues)/N-terminal GST-tagged Cyclin E1 (1 to 410 residues) expressed in baculovirus expression system using fluorescence-based kinase probe as substrate measured for 60 mins by fluorescence based analysis
50021891	7	ChEMBL_2473709	Reversible inhibition of human full length CDK1 (1 to 297 residues)/N-terminal GST-fused Cyclin B1 (1 to 433 residues) expressed in baculovirus expression system using fluorescence-based kinase probe as substrate measured for 60 mins by fluorescence based analysis
50021891	8	ChEMBL_2473710	Reversible inhibition of human full length CDK7 (1 to 346 residues)/N-terminal GST-fused Cyclin H (1 to 323 residues)/MAT1 (1 to 309 residues) expressed in baculovirus expression system using fluorescence-based kinase probe as substrate measured for 60 mins by fluorescence based analysis
50021891	9	ChEMBL_2473711	Inhibition of CDK2/Cyclin E1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assay
50021891	10	ChEMBL_2473712	Inhibition of CDK1/Cyclin B1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assay
50021891	11	ChEMBL_2473713	Inhibition of CDK7/Cyclin H/MAT1 NanoLuc fusion vector (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET luminescence assay
50021891	12	ChEMBL_2473714	Binding affinity to yeast Pho85 pretreated with yeast lysates for 45 mins followed by incubation with Kinobead-Sepharose affinity matrix slurry for 30 mins by Kinobead chemoproteomics analysis
50021894	1	ChEMBL_2473749	Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H4/SAM as substrate incubated for 5 hrs in presence of MTA by MTase Glo assay
50021894	2	ChEMBL_2473750	Inhibition of PRMT5 (1 to 637 residues)/MEP504 (2 to 342 residues)(unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H4/SAM as substrate incubated for 5 hrs by MTase Glo assay
50021894	3	ChEMBL_2473751	Binding affinity to apo PRMT5 (1 to 637 residues)(unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as dissociation constant by SPR analysis
50021894	4	ChEMBL_2473752	Binding affinity to apo PRMT5 (1 to 637 residues)(unknown origin) expressed in baculovirus infected Sf21 insect cells assessed as dissociation constant in presence of MTA by SPR analysis
50021894	5	ChEMBL_2473753	Binding affinity to apo PRMT5 (1 to 637 residues)(unknown origin) expressed in baculovirus infected Sf21 insect cells using SAM as substrate assessed as dissociation constant by SPR analysis
50021894	6	ChEMBL_2473762	Inhibition of PRMT5 in human HCT-116 cells with MTAP KO assessed as decrease in SMDA level incubated for 48 hrs by immunofluorescence analysis
50021894	7	ChEMBL_2473763	Inhibition of PRMT5 in human HCT-116 cells expressing wild-type MTAP assessed as decrease in SMDA level incubated for 48 hrs by immunofluorescence analysis
50021894	8	ChEMBL_2473770	Inhibition of human TSPO
50021895	1	ChEMBL_2473791	Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes incubated for 1 hr by Microbeta Topcount instrument based analysis
50021896	1	ChEMBL_2473845	Binding affinity to recombinant His-tagged GRP75 (unknown origin) by MST assay
50021897	1	ChEMBL_2473939	Inhibition of HPK1 (unknown origin)
50021897	2	ChEMBL_2473940	Inhibition of GLK (unknown origin)
50021898	1	ChEMBL_2473970	Displacement of tracer 236 from N-terminal GST-tagged recombinant human MET D1228N mutant (956 to end residues) expressed in Sf9 insect cells incubated for 1 hr by TR-FRET assay
50021898	2	ChEMBL_2473972	Displacement of tracer 236 from N-terminal GST-tagged recombinant human MET F1200I mutant (956 to end residues) expressed in Sf9 insect cells incubated for 1 hr by TR-FRET assay
50021898	3	ChEMBL_2473974	Displacement of tracer 236 from N-terminal GST-tagged recombinant human MET Y1230H mutant (956 to end residues) expressed in Sf9 insect cells incubated for 1 hr by TR-FRET assay
50021898	4	ChEMBL_2473975	Inhibition of MET D1228N mutant (unknown origin) transfected in mouse NIH3T3 cells incubated for 1 hr by In-Cell Western assay
50021899	1	ChEMBL_2474006	Binding affinity to human Kappa-opioid receptor expressed in CHO cell membrane assessed as inhibition of [3H]-U69593 binding to KOR by measuring inhibition constant after 60 mins by radioligand binding assay
50021902	1	ChEMBL_2474179	Inhibition of human NEU1 expressed in HEK293 cells using 4-MUNANA as substrate preincubated with compound for 0.25 hrs followed by substrate addition and measured after 0.5 hrs by fluorescence based analysis
50021903	1	ChEMBL_2474185	Inhibition of N-terminal his-tagged SARS CoV-2 PL protease (1564 to 1878 residues) expressed in BL21 (DE3) cells using Z-RLRGG-AMC as substrate preincubated for 10 mins followed by substrate addition and measured for 15 mins by fluorescence based analysis
50021903	2	ChEMBL_2474186	Binding affinity to N-terminal his-tagged SARS CoV-2 PL protease (1564 to 1878 residues) expressed in BL21 (DE3) cells assessed as dissociation constant
50021903	3	ChEMBL_2474218	Inhibition of SARS-CoV-2 papain-like protease
50021903	4	ChEMBL_2474219	Inhibition of C-terminal his-tagged SARS CoV-2 PL protease (1564 to 1876 residues) expressed in Escherichia coli BL21 (DE3) cells using ISG15-AMC as substrate measured after 3 hrs by FRET assay
50021903	5	ChEMBL_2474221	Inhibition of full length SARS CoV-2 PL protease (1564 to 1878 residues) expressed in Escherichia coli Rosetta (DE3) cells using Arg-Leu-Arg-Gly-Gly-AMC as substrate
50021903	6	ChEMBL_2474223	Inhibition of SARS CoV-2 PL protease
50021903	7	ChEMBL_2474225	Inhibition of C-terminal his-6 tagged SARS CoV-2 PL protease expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins followed by substrate addition by fluorescence based analysis
50021904	1	ChEMBL_2474230	Inhibition of his-tagged N-terminal recombinant human Gal-3 preincubated for 30 mins followed by Biotin-ASF addition and measured after 1 hr by HTRF assay
50021904	2	ChEMBL_2474231	Inhibition of his-tagged N-terminal recombinant mouse Gal-3 preincubated for 30 mins followed by Biotin-ASF addition and measured after 1 hr by HTRF assay
50021904	3	ChEMBL_2474234	Inhibition of his-tagged N-terminal human Gal-1 preincubated for 30 mins followed by Biotin-ASF addition and measured after 1 hr by HTRF assay
50021904	4	ChEMBL_2474235	Inhibition of his-tagged N-terminal human Gal-9 preincubated for 30 mins followed by Biotin-ASF addition and measured after 1 hr by HTRF assay
50021905	1	ChEMBL_2474241	Binding affinity to His 6-fused Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 3 hrs by TR-FRET method
50021905	2	ChEMBL_2474258	Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by FPA assay
50021905	3	ChEMBL_2474259	Binding affinity to Bcl-XL (unknown origin) assessed as inhibition constant by FPA assay
50021906	1	ChEMBL_2474316	Displacement of [3H] N-Methylscopolamine from human recombinant M5 receptor expressed in CHO-K1 cell membranes incubated for 2 hrs
50021906	2	ChEMBL_2474358	Binding affinity to human M2 receptor assessed as inhibition constant
50021906	3	ChEMBL_2474359	Binding affinity to human M4 receptor assessed as inhibition constant
50021906	4	ChEMBL_2474414	Negative allosteric modulation of human M5 receptor
50021907	1	ChEMBL_2474558	Inhibition of GST-tagged human recombinant OGA using fuoresceinmono-beta-o-N-acetylglucosarnine as substrate incubated for 60 mins under dark condition by microplate reader based analysis
50021907	2	ChEMBL_2474559	Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA
50021907	3	ChEMBL_2474598	Binding affinity to human O-GlcNAcase assessed as inhibition constant
50021907	4	ChEMBL_2474599	Inhibition of human OGA
50021907	5	ChEMBL_2474600	Inhibition of full length N-terminal his-tagged human OGA expressed in baculovirus expression system preincubated for for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50021909	1	ChEMBL_2474601	Inhibition of LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-NH2-activated SHP2 (unknown origin) using DiFMUP as substrate pretreated with enzyme for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50021909	2	ChEMBL_2474602	Binding affinity to SHP2 (unknown origin) by SPR analysis
50021909	3	ChEMBL_2474673	Inhibition of MDR1 (unknown origin)
50021909	4	ChEMBL_2474674	Inhibition of OATP1B3 (unknown origin)
50021909	5	ChEMBL_2474675	Inhibition of OCT2 (unknown origin)
50021909	6	ChEMBL_2474676	Inhibition of OAT1 (unknown origin)
50021909	7	ChEMBL_2474677	Inhibition of OAT3 (unknown origin)
50021909	8	ChEMBL_2474678	Inhibition of BCRP (unknown origin)
50021909	9	ChEMBL_2474679	Inhibition of OATP1B1 (unknown origin)
50021910	1	ChEMBL_2474682	Inhibition of HDAC8 (unknown origin) using Ac-Leu-Gly-Lys(tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021910	2	ChEMBL_2474683	Inhibition of HDAC1 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021910	3	ChEMBL_2474684	Inhibition of HDAC6 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021911	1	ChEMBL_2474736	Inhibition of Candida albicans CYP51 using lanosterol as substrate preincubated for 2 mins followed by NADPH addition measured after 1 hr by reversed-phase HPLC analysis
50021911	2	ChEMBL_2474737	Inhibition of Candida albicans CYP51 using lanosterol as substrate assessed as VRC IC50 at 20 uM preincubated for 2 mins followed by NADPH addition measured after 1 hr by reversed-phase HPLC analysis
50021912	1	ChEMBL_2474867	Covalent inhibition of full-length BTK (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr in presence of ATP by ADP-Glo kinase assay
50021912	2	ChEMBL_2474869	Binding affinity to full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) assessed as inhibition constant using AQT0101 as substrate in presence of ATP by microplate reader analysis
50021912	3	ChEMBL_2474871	Covalent inhibition of full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) using AQT0101 as substrate without preincubation in presence of ATP by microplate reader analysis
50021912	4	ChEMBL_2474872	Covalent inhibition of full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) using AQT0101 as substrate preincubated for 60 mins in presence of ATP by microplate reader analysis
50021912	5	ChEMBL_2474874	Inhibition of N-terminal GST tagged EGFR cytoplasmic domain (669 to 1210 residues) (unknown origin) using AQT0734 as substrate in presence of ATP by microplate reader analysis
50021912	6	ChEMBL_2474875	Inhibition of N-terminal His-tagged JAK3 cytoplasmic domain (795 to 1124 residues) (unknown origin) using AQT0734 as substrate in presence of ATP by microplate reader analysis
50021912	7	ChEMBL_2474876	Inhibition of full-length GST tagged ITK (unknown origin) using AQT0734 as substrate in presence of ATP by microplate reader analysis
50021912	8	ChEMBL_2474891	Inhibition of NanoLuc fused BTK (unknown origin) transiently transfected in HEK293 cells incubated for 1 hr by NanoBRET assay
50021914	1	ChEMBL_2474931	Binding affinity to GST-tagged wild-type human CRBN incubated for 3 hrs by TR-FRET assay
50021914	2	ChEMBL_2474995	Binding affinity to BRD9 (unknown origin) by TR-FRET assay
50021914	3	ChEMBL_2474996	Binding affinity to BRD4 BD1 (unknown origin) incubated for 1 hr in presence of fluorescein labeled tracer by fluorescence polarization assay
50021915	1	ChEMBL_2475016	Inhibition of Cbl-b (unknown origin) by TR-FRET assay
50021916	1	ChEMBL_2475019	Displacement of [3H]-AMPA from AMPA in rat cortical synaptosomes incubated for 30 mins by TopCount microplate scintillation counting method
50021916	2	ChEMBL_2475025	Displacement of [3H]-NF608 from rat GluK1
50021916	3	ChEMBL_2475026	Displacement of [3H]-KA from rat GluK2
50021916	4	ChEMBL_2475027	Displacement of [3H]-KA from rat GluK3
50021916	5	ChEMBL_2475031	Displacement of [3H]-kainate from mouse GluK5 expressed in Sf9 cell membrane incubated for 2 hrs by scintillation counting method
50021916	6	ChEMBL_2475040	Displacement of [3H]-AMPA from AMPA in rat synaptic membrane
50021916	7	ChEMBL_2475042	Displacement of [3H]-AMPA from AMPA in rat brain membrane preincubated for 15 mins followed by [3H]-AMPA addition and measured after 40 mins by scintillation counting method
50021916	8	ChEMBL_2475045	Binding affinity to AMPA receptor in rat synaptosomes
50021916	9	ChEMBL_2475046	Displacement of [3H](2S, 4R)-4-MeGlu (SYM-2081) from GluK1 (unknown origin)
50021916	10	ChEMBL_2475047	Displacement of [3H](2S, 4R)-4-MeGlu (SYM-2081) from GluK2 (unknown origin)
50021916	11	ChEMBL_2475048	Displacement of [3H](2S, 4R)-4-MeGlu (SYM-2081) from GluK3 (unknown origin)
50021916	12	ChEMBL_2475049	Displacement of [3H]-kainic acid from GluR6 (unknown origin) expressed in Sf9 cells membrane
50021917	1	ChEMBL_2475083	Inhibition of Plasmodium falciparum 3D7 ATP4 assessed as reduction in Na+- ATPase activity incubated for 10 mins in presence of ATP
50021917	2	ChEMBL_2475084	Inhibition of wild type Plasmodium falciparum Dd2 ATP4 assessed as reduction in Na+-ATPase activity incubated for 10 mins in presence of ATP
50021917	3	ChEMBL_2475085	Inhibition of Plasmodium falciparum Dd2 harboring G358S mutant ATP4 assessed as reduction in Na+-ATPase activity incubated for 10 mins in presence of ATP
50021918	1	ChEMBL_2475112	Inhibition of PANK3 (unknown origin) using D-[1-14C]pantothenate as substrate incubated for 10 mins in presence of ATP by scintillation counting analysis
50021919	1	ChEMBL_2475233	Corrector activity at 3xHA-tagged full-length human CFTR F508del mutant expressed in human CFBE41o- cells assessed as restoration of plasma membrane density of channel incubated for 24 hrs in presence of VX-809/N-(5-(4-fluorobenzyl)thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide by ELISA
50021920	1	ChEMBL_2475264	Inhibition of recombinant human full-length ADAMTS7 truncated before the C-terminal PLAC domain using FAM-Glu-Ala-Ala-Ala-Arg-Ala-Glu-Ala-Ala-Ala-Lys-TAMRA as substrate measured after 24 hrs by FRET assay
50021920	2	ChEMBL_2475273	Inhibition of ADAMTS7 (unknown origin) proteolytic activity assessed as increase in uncleaved LTBP4S-A level using purified FLAG-tagged LTBP4S-A as substrate measured after 24 hrs by Western blot analysis
50021920	3	ChEMBL_2475274	Inhibition of ADAMTS7 (unknown origin) proteolytic activity assessed as reduction in neoepitope antibody reactive fragment level using purified FLAG-tagged LTBP4S-A as substrate measured after 24 hrs by Western blot analysis
50021921	1	ChEMBL_2475292	Inhibition of Mycobacterium tuberculosis PTPB
50021922	1	ChEMBL_2475309	Activation of PKM2 (unknown origin) by LDH enzyme coupled assay
50021922	2	ChEMBL_2475310	Inhibition of human VEGFR2 by ELISA
50021922	3	ChEMBL_2475312	Inhibition of p38alpha (unknown origin)
50021922	4	ChEMBL_2475313	Inhibition of PI3Kalpha (unknown origin)
50021922	5	ChEMBL_2475314	Inhibition of mTOR (unknown origin)
50021922	6	ChEMBL_2475315	Inhibition of CDK2 (unknown origin)
50021923	1	ChEMBL_2475322	Inhibition of human COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by ELISA
50021923	2	ChEMBL_2475323	Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 5 mins by ELISA
50021923	3	ChEMBL_2475331	Inhibition of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition
50021923	4	ChEMBL_2475332	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate incubated for 5 mins by EIA
50021924	1	ChEMBL_2475354	Inhibition of ITK (unknown origin)
50021924	2	ChEMBL_2475361	Binding affinity to MIF in human A549 cells assessed as inhibition constant
50021925	1	ChEMBL_2475411	Inhibition of SARS CoV-2 main protease
50021925	2	ChEMBL_2475414	Inhibition of recombinant SARS CoV-2 Wuhan-Hu-1 main protease extracted from Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 20 mins
50021925	3	ChEMBL_2475416	Inhibition of SARS CoV-2 main protease extracted from Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate by FRET assay
50021925	4	ChEMBL_2475419	Inhibition of SARS CoV-2 main protease using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured every 30 secs for 10 mins by FRET assay
50021925	5	ChEMBL_2475420	Inhibition of recombinant SARS CoV-2 main protease extracted from Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys (DNP)-Lys-NH2 as substrate by FRET assay
50021925	6	ChEMBL_2475422	Inhibition of SARS CoV-2 main protease extracted from Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 1 hr followed by substrate addition and measured immediately by FRET assay
50021925	7	ChEMBL_2475424	Inhibition of SARS CoV-2 main protease extracted from Escherichia coli BL21 (DE3) T1R competent cells using DABCYL-Lys-HCoV-SARS Replicase Polyprotein 1ab (3235-3246)-Glu-EDANS trifluoroacetate salt as substrate preincubated for 15 mins followed by substrate addition and measured after 10 mins by fluorescence based assay
50021926	1	ChEMBL_2475467	Inhibition of C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 10 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	2	ChEMBL_2475468	Inhibition of C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	3	ChEMBL_2475469	Inhibition of C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 60 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	4	ChEMBL_2475470	Inhibition of recombinant wild type tyrosine phosphorylated C-terminal 6His tagged human STAT3 (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	5	ChEMBL_2475471	Inhibition of recombinant wild type tyrosine phosphorylated C-terminal 6His tagged human STAT3 C328A mutant (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	6	ChEMBL_2475472	Inhibition of recombinant wild type tyrosine phosphorylated C-terminal 6His tagged human STAT3 C426A mutant (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	7	ChEMBL_2475473	Inhibition of recombinant wild type tyrosine phosphorylated C-terminal 6His tagged human STAT3 C468A mutant (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	8	ChEMBL_2475474	Inhibition of recombinant wild type tyrosine phosphorylated C-terminal 6His tagged human STAT3 C542S mutant (127 to 711 residues) DNA-binding activity transfected in v-Src transformed mouse NIH3T3 cell nuclear extract preincubated for 30 mins followed by addition of radiolabeled hSIE and measured after 30 mins by EMSA analysis
50021926	9	ChEMBL_2475475	Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) SH2 domain extracted from Escherichia coli BL21 (DE3) assessed as inhibition of dimerization preincubated for 10 mins followed by probe addition and measured after 30 mins by fluorescence polarization assay
50021926	10	ChEMBL_2475476	Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) SH2 domain extracted from Escherichia coli BL21 (DE3) assessed as inhibition of dimerization preincubated for 30 mins followed by probe addition and measured after 30 mins by fluorescence polarization assay
50021926	11	ChEMBL_2475477	Displacement of 5-carboxyfluorescein GpYLPQTV-NH2 probe from C-terminal 6His-tagged recombinant human STAT3 (127 to 711 residues) SH2 domain extracted from Escherichia coli BL21 (DE3) assessed as inhibition of dimerization preincubated for 60 mins followed by probe addition and measured after 30 mins by fluorescence polarization assay
50021926	12	ChEMBL_2475482	Binding affinity to STAT3 SH2 domain (unknown origin) assessed as dissociation constant
50021927	1	ChEMBL_2475524	Binding affinity to ICOS (unknown origin) assessed as dissociation constant
50021928	1	ChEMBL_2475603	Inhibition of alpha-Synuclein (unknown origin) aggregation assessed as aggregation inhibition ratio measured after 72 hrs by Thioflavin T based fluorescence assay
50021929	1	ChEMBL_2475643	Inhibition of DENV-2 NS2B/NS3 protease expressed in HEK293 cells cotransfected with CFP-trrg-YFP incubated for 24 hrs by FRET assay
50021930	1	ChEMBL_2475647	Inhibition of NLRP3 in human THP-1 cells assessed as inhibition of LPS/nigericin-induced caspase-1 activation
50021931	1	ChEMBL_2475653	Displacement of [125I]ghrelin from human GHSR assessed as inhibition constant by competitive binding assay
50021932	1	ChEMBL_2475731	Inhibition of recombinant human LCK (64 to 509 residues) incubated for 60 mins in presence of ATP by HTRF method
50021932	2	ChEMBL_2475732	Inhibition of LCK (unknown origin)
50021932	3	ChEMBL_2475804	Inhibition of recombinant LCK (unknown origin) expressed in baculovirus infected insect cells incubated for 10 mins in presence of ATP by topcount scintillation counting method
50021933	1	ChEMBL_2475807	Inhibition of GGDPS (unknown origin) using uRAP1a as substrate in RPMI-8226 cells assessed as disruption of geranylgeranylation by measuring unmodified Rap1a incubated for 48 hrs by immunoblot analysis
50021934	1	ChEMBL_2475813	Competitive inhibition of Spinacia oleracea RPIA using D-ribose-5-phosphate as substrate
50021934	2	ChEMBL_2475814	Competitive inhibition of Escherichia coli RPIB using D-ribose-5-phosphate as substrate
50021934	3	ChEMBL_2475815	Competitive inhibition of Mycobacterium tuberculosis RPIB using D-ribose-5-phosphate as substrate
50021934	4	ChEMBL_2475816	Competitive inhibition of Spinacia oleracea RPIA assessed as inhibition constant using D-ribose-5-phosphate as substrate by Cheng-Prusoff equation analysis
50021934	5	ChEMBL_2475817	Competitive inhibition of Escherichia coli RPIB assessed as inhibition constant using D-ribose-5-phosphate as substrate by Cheng-Prusoff equation analysis
50021934	6	ChEMBL_2475818	Competitive inhibition of Mycobacterium tuberculosis RPIB assessed as inhibition constant using D-ribose-5-phosphate as substrate by Cheng-Prusoff equation analysis
50021934	7	ChEMBL_2475826	Competitive inhibition of Escherichia coli RPIB using D-ribose-5-phosphate as substrate by spectrophotometric analysis
50021934	8	ChEMBL_2475827	Competitive inhibition of Mycobacterium tuberculosis RPIB using D-ribose-5-phosphate as substrate by spectrophotometric analysis
50021934	9	ChEMBL_2475836	Competitive inhibition of Mycobacterium tuberculosis RPIB using D-ribose-5-phosphate as substrate assessed as inhibition constant by spectrophotometric analysis
50021935	1	ChEMBL_2475842	Inhibition of HDAC6 (unknown origin) using fluorophore tripeptide substrate preincubated for 10 mins followed by substrate addition and measured for 30 mins by microtiter plate reader analysis
50021935	2	ChEMBL_2475843	Inhibition of HDAC1 (unknown origin) using fluorophore tripeptide substrate preincubated for 10 mins followed by substrate addition and measured for 30 mins by microtiter plate reader analysis
50021935	3	ChEMBL_2475844	Inhibition of human HDAC1 using RHKKAc as substrate by fluorescence based assay
50021935	4	ChEMBL_2475845	Inhibition of human HDAC6 using RHKKAc as substrate by fluorescence based assay
50021935	5	ChEMBL_2475847	Inhibition of human HDAC2 using RHKKAc as substrate by fluorescence based assay
50021935	6	ChEMBL_2475848	Inhibition of human HDAC3/NCOR2 using RHKKAc as substrate by fluorescence based assay
50021935	7	ChEMBL_2475849	Inhibition of human HDAC5 using Boc-Lys(trifluoroacetyl)-AMC as substrate by fluorescence based assay
50021935	8	ChEMBL_2475850	Inhibition of human HDAC8 using RHK(Ac)-K(Ac) as substrate by fluorescence based assay
50021936	1	ChEMBL_2475891	Inhibition of recombinant mouse EGFR by ELISA
50021936	2	ChEMBL_2475892	Inhibition of JNK2 (unknown origin) incubated for 90 mins by ELISA
50021937	1	ChEMBL_2475934	Inhibition of NLRP3 activation in PMA-differentiated LPS-stimulated human THP-1 cells assessed as reduction in IL-1beta release preincubated for 30 mins followed by nigericin addition and measured after 60 mins by ELISA
50021937	2	ChEMBL_2475936	Binding affinity to streptavidin sensor chip-immobilized biotinylated recombinant human NLRP3 NACHT domain extracted from Sf9 insect cells assessed as dissociation constant by SPR analysis
50021940	1	ChEMBL_2475956	Inhibition of SARS-COV-2 main protease using fluorogenic substrate (DABCYL)-Lys-Thr- Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-Met-Glu-(EDANS)-NH2 measured every 5 mins for 50 mins by plate reader assay
50021941	1	ChEMBL_2475979	Binding affinity to sialyl LewisX mimetic 21a pretreated Blue-NHS-labelled E-selectin Lec-EGF/SCR1/SCR2 domain (unknown origin) measured after 20 mins by microscale thermophoresis
50021941	2	ChEMBL_2475980	Binding affinity to E-selectin SCR2 domain (unknown origin) by isothermal titration calorimetry
50021942	1	ChEMBL_2476030	Displacement of fluorescein-labeled Atorvastatin from N-terminal His6 tagged human recombinant PDE6D extracted from Escherichia coli BL21 star (DE3) pLysS assessed as dissociation constant by fluorescence polarization assay
50021942	2	ChEMBL_2476032	Induction of Rluc8-tagged and GFP2-tagged K-Ras G12V mutant (unknown origin) disruption extracted from HEK293-EBNA cells assessed as intracellular K-Ras G12V membrane anchorage disruption by measuring effective concentration measured after 24 hrs by BRET assay
50021942	3	ChEMBL_2476033	Induction of Rluc8-tagged and GFP2-tagged H-Ras G12V mutant (unknown origin) disruption extracted from HEK293-EBNA cells assessed as intracellular H-Ras G12V membrane anchorage disruption by measuring effective concentration measured after 24 hrs by BRET assay
50021942	4	ChEMBL_2476087	Displacement of fluorescein-labeled Ras homologue enriched in brain peptide probe from N-terminal His6 tagged human recombinant PDE6D extracted from Escherichia coli BL21 star (DE3) pLysS assessed as dissociation constant by fluorescence polarization assay
50021942	5	ChEMBL_2476088	Displacement of fluorescein-labeled Atorvastatin from PDEdelta (unknown origin) assessed as dissociation constant incubated for 10 hrs by fluorescence anisotropy
50021942	6	ChEMBL_2476089	Binding affinity to N-terminal His6 tagged human recombinant PDE6D extracted from Escherichia coli BL21 star (DE3) assessed as dissociation constant by isothermal titration calorimetry
50021943	1	ChEMBL_2476093	Inhibition of MMSET (953 to 1240 residues) (unknown origin) by Alpha Screen assay
50021943	2	ChEMBL_2476096	Inhibition of NSD1 (unknown origin)
50021943	3	ChEMBL_2476097	Inhibition of NSD1 (unknown origin) by Alpha Screen assay
50021943	4	ChEMBL_2476098	Inhibition of NSD1 (unknown origin) methyltransferase activity
50021943	5	ChEMBL_2476099	Inhibition of NSD2 (unknown origin)
50021943	6	ChEMBL_2476100	Inhibition of NSD3 (unknown origin)
50021943	7	ChEMBL_2476101	Inhibition of NSD2 SET domain (unknown origin) extracted from Escherichia coli BL21
50021943	8	ChEMBL_2476102	Binding affinity to NSD2 (unknown origin) assessed as dissociation constant by SPR analysis
50021943	9	ChEMBL_2476104	Binding affinity to human NSD3 PWWP1 domain (247 to 398 residues) assessed as dissociation constant by SPR analysis
50021943	10	ChEMBL_2476105	Inhibition of GST-tagged NSD3 (247 to 398 residues) (unknown origin) incubated for 60 mins by TR-FRET assay
50021943	11	ChEMBL_2476108	Inhibition of human c-Myc in human MOLM-13 cells assessed as decrease in c-Myc protein expression level incubated for 24 hrs by HTRF assay
50021943	12	ChEMBL_2476109	Binding affinity to NSD3 (unknown origin) assessed as dissociation constant
50021943	13	ChEMBL_2476112	Inhibition of N-terminal ASH1L SET domain (2069 to 2288) (unknown origin) extracted from Escherichia coli BL21 incubated for 60 mins by ITC analysis
50021944	1	ChEMBL_2476119	Binding affinity to human DNMT1 expressed in Escherichia coli assessed as dissociation constant by SPR analysis
50021944	2	ChEMBL_2476120	Binding affinity to human DNMT1 expressed in Escherichia coli assessed as equilibrium dissociation constant by SPR analysis
50021944	3	ChEMBL_2476122	Inhibition of DNMT1 (unknown origin) using semi-methylated DNA substrate preincubated for 15 mins followed by substrate and [3H-SAM] addition and measured after 60 mins by microbeta scintillation counting assay
50021944	4	ChEMBL_2476132	Binding affinity to human DNMT1 in presence of 10 uM SAM by SPR analysis
50021944	5	ChEMBL_2476165	Binding affinity to human DNMT1 expressed in Escherichia coli by SPR analysis
50021945	1	ChEMBL_2476171	Inhibition of GST-tagged EGFR (unknown origin)
50021945	2	ChEMBL_2476180	Inhibition of CDK1 (unknown origin) by Kinase-Glo luminescent kinase assay
50021945	3	ChEMBL_2476181	Inhibition of TPI (unknown origin)
50021945	4	ChEMBL_2476184	Inhibition of HDAC2 (unknown origin)
50021945	5	ChEMBL_2476186	Inhibition of PARP1 (unknown origin)
50021945	6	ChEMBL_2476187	Inhibition of PARP2 (unknown origin)
50021945	7	ChEMBL_2476195	Inhibition of EGFR (unknown origin)
50021945	8	ChEMBL_2476196	Inhibition of VEGFR2 (unknown origin)
50021945	9	ChEMBL_2476197	Inhibition of human recombinant PDGFRbeta incubated for 40 mins by Kinase-Glo luminescent kinase assay
50021949	1	ChEMBL_2476198	Inhibition of human AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method
50021949	2	ChEMBL_2476199	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 60 mins followed by susbtrate addition by Ellaman"s method
50021949	3	ChEMBL_2476201	Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method
50021949	4	ChEMBL_2476202	Inhibition of human BChE using butyrylthiocholine as substrate by Ellman's method
50021949	5	ChEMBL_2476203	Inhibition of human AChE by Ellman's method
50021949	6	ChEMBL_2476204	Inhibition of equine BuchE using butyrylthiocholine as substrate by Ellman's method
50021949	7	ChEMBL_2476206	Inhibition of human erythrocyte AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured for 5 mins by Ellman's method
50021949	8	ChEMBL_2476207	Inhibition of equine BuChE
50021949	9	ChEMBL_2476210	Inhibition of human BChE
50021949	10	ChEMBL_2476211	Inhibition of human AChE
50021949	11	ChEMBL_2476213	Inhibition of electric eel AChE
50021949	12	ChEMBL_2476215	Inhibition of AChE (unknown origin)
50021949	13	ChEMBL_2476216	Inhibition of BChE (unknown origin)
50021949	14	ChEMBL_2476219	Binding affinity to AChE (unknown origin) assessed as inhibition constant
50021949	15	ChEMBL_2476220	Binding affinity to BChE (unknown origin) assessed as inhibition constant
50021949	16	ChEMBL_2476221	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 15 min followed by substrate addition and measured after 60 min by Ellman's method
50021949	17	ChEMBL_2476222	Inhibition of human BChE using butyrylthiocholineiodide as substrate measured for 30 mins by Ellman's method
50021949	18	ChEMBL_2476223	Inhibition of Electric eel AChE using acetylcholine iodide as substrate by spectrophotometry based Ellman's method
50021949	19	ChEMBL_2476226	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method
50021949	20	ChEMBL_2476227	Inhibition of equine serum BuChE by Ellman's method
50021949	21	ChEMBL_2476229	Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition and measured for 60 mins by Ellman's method
50021949	22	ChEMBL_2476230	Inhibition of human recombinant BChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate based Ellman's method
50021949	23	ChEMBL_2476231	Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's method
50021949	24	ChEMBL_2476232	Inhibition of human BChE using butyrylthiocholineiodide as substrate by Ellman's method
50021949	25	ChEMBL_2476233	Inhibition of BChE (unknown origin) incubated for 10 mins by Ellman's method
50021949	26	ChEMBL_2476234	Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate by Ellman's method
50021949	27	ChEMBL_2476235	Inhibition of human recombinant MAO-A using kynuramine as substrate by incubated for 75 mins by spectrophotometric analysis
50021949	28	ChEMBL_2476236	Inhibition of human recombinant MAO-B using benzylamine as substrate by fluorescence based analysis
50021949	29	ChEMBL_2476237	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method
50021949	30	ChEMBL_2476239	Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 1 mins by spectrophotometric Ellman's method
50021949	31	ChEMBL_2476241	Inhibition of IDO1 (unknown origin)
50021949	32	ChEMBL_2476242	Inhibition of HDAC6 (unknown origin)
50021949	33	ChEMBL_2476243	Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 15 min followed by substrate addition measured after 40 min by Ellman's method
50021950	1	ChEMBL_2476244	Inhibition of TRKA (unknown origin)
50021950	2	ChEMBL_2476245	Inhibition of full length human recombinant NQO2 extracted from Escherichia coli BL21(DE3) Tuner cells by TR-FRET analysis
50021950	3	ChEMBL_2476248	Inhibition of SKY (unknown origin)
50021950	4	ChEMBL_2476249	Inhibition of adenosine A3 receptor (unknown origin)
50021950	5	ChEMBL_2476250	Binding affinity to EGFR (unknown origin) assessed as inhibition constant
50021950	6	ChEMBL_2476251	Inhibition of VEGFR1 (unknown origin)
50021950	7	ChEMBL_2476252	Inhibition of VEGFR2 (unknown origin)
50021950	8	ChEMBL_2476253	Inhibition of VEGFR3 (unknown origin)
50021950	9	ChEMBL_2476255	Inhibition of c-Kit (unknown origin)
50021950	10	ChEMBL_2476257	Inhibition of wild type BRAF (unknown origin)
50021950	11	ChEMBL_2476258	Inhibition of BRAF V600E mutant (unknown origin)
50021950	12	ChEMBL_2476259	Agonist activity at human Pregnane X receptor
50021950	13	ChEMBL_2476261	Inhibition of CDK1 (unknown origin)
50021950	14	ChEMBL_2476262	Inhibition of CDK2 (unknown origin)
50021950	15	ChEMBL_2476263	Inhibition of CDK5 (unknown origin)
50021950	16	ChEMBL_2476264	Inhibition of CDK9 (unknown origin)
50021950	17	ChEMBL_2476265	Binding affinity to human recombinant AKR1C3 extracted from Escherichia coli assessed as dissociation constant
50021950	18	ChEMBL_2476266	Inhibition of CDK4/cyclin D1 (unknown origin) extracted from baculovirus infected insect cells using GST-Rb as substrate
50021950	19	ChEMBL_2476267	Inhibition of CDK6/cyclin D2 (unknown origin) extracted from baculovirus infected insect cells
50021950	20	ChEMBL_2476268	Binding affinity to human recombinant STING in assessed as dissociation constant
50021950	21	ChEMBL_2476269	Binding affinity to ROCK1 (unknown origin) assessed as inhibition constant
50021950	22	ChEMBL_2476270	Binding affinity to ROCK2 (unknown origin) assessed as inhibition constant
50021950	23	ChEMBL_2476271	Inhibition of TRKB (unknown origin)
50021950	24	ChEMBL_2476272	Inhibition of TRKC (unknown origin)
50021950	25	ChEMBL_2476273	Inhibition ROS1 (unknown origin)
50021950	26	ChEMBL_2476274	Inhibition of ALK (unknown origin)
50021950	27	ChEMBL_2476276	Inhibition of JAK2 (unknown origin)
50021950	28	ChEMBL_2476277	Inhibition of BRD4 (unknown origin)
50021950	29	ChEMBL_2476278	Inhibition of PLK1 (unknown origin)
50021950	30	ChEMBL_2476279	Binding affinity to BRD4 (unknown origin) assessed as dissociation constant
50021950	31	ChEMBL_2476280	Inhibition of JAK1 (unknown origin)
50021950	32	ChEMBL_2476281	Binding affinity to TRPM6 (unknown origin) assessed as dissociation constant
50021950	33	ChEMBL_2476282	Inhibition of EGFR L858R mutant (unknown origin)
50021950	34	ChEMBL_2476283	Inhibition of EGFR L858R/T790M double mutant (unknown origin)
50021950	35	ChEMBL_2476284	Inhibition of BTK (unknown origin)
50021950	36	ChEMBL_2476285	Antagonist activity at NUDT5 (unknown origin)
50021950	37	ChEMBL_2476286	Inhibition of HER2 (unknown origin)
50021950	38	ChEMBL_2476287	Inhibition of HER4 (unknown origin)
50021950	39	ChEMBL_2476288	Inhibition of EGFR (unknown origin)
50021950	40	ChEMBL_2476295	Inhibition of CDK16 (unknown origin) by discoverX kinomescan assay
50021950	41	ChEMBL_2476296	Inhibition of PIM3 (unknown origin) by discoverX kinome scan assay
50021950	42	ChEMBL_2476297	Inhibition of DYRK1B (unknown origin) by DiscoverX KINOMEscan assay
50021950	43	ChEMBL_2476298	Inhibition of DYRK1A (unknown origin) by DiscoverX KINOMEscan assay
50021950	44	ChEMBL_2476299	Binding affinity to PDE6D (unknown origin) assessed as dissociation constant
50021950	45	ChEMBL_2476300	Inhibition of RET (unknown origin)
50021951	1	ChEMBL_2476301	Inhibition of CDK4 (unknown origin)
50021951	2	ChEMBL_2476302	Inhibition of CDK6 (unknown origin)
50021951	3	ChEMBL_2476303	Binding affinity to CDK2 (unknown origin) extracted from insect cells assessed as inhibition constant
50021951	4	ChEMBL_2476304	Binding affinity to CDK4 (unknown origin) assessed as inhibition constant
50021951	5	ChEMBL_2476305	Binding affinity to CDK6 (unknown origin) assessed as inhibition constant
50021951	6	ChEMBL_2476306	Binding affinity to CDK1 (unknown origin) assessed as inhibition constant
50021951	7	ChEMBL_2476307	Binding affinity to CDK9 (unknown origin) assessed as inhibition constant
50021951	8	ChEMBL_2476308	Inhibition of CDK7 (unknown origin)
50021951	9	ChEMBL_2476309	Inhibition of CDK12 (unknown origin)
50021951	10	ChEMBL_2476310	Inhibition of CDK13 (unknown origin)
50021951	11	ChEMBL_2476311	Inhibition of CDK9 (unknown origin)
50021951	12	ChEMBL_2476312	Inhibition of GST-tagged full length wildtype CDK7 (unknown origin) extracted from baculovirus infected Sf21 cells
50021951	13	ChEMBL_2476313	Inhibition of CDK5 (unknown origin)
50021951	14	ChEMBL_2476314	Binding affinity to CDK7 (unknown origin) assessed as dissociation constant by SPR analysis
50021951	15	ChEMBL_2476316	Inhibition of CDK1 (unknown origin) by DiscoverX Kinome scan assay
50021951	16	ChEMBL_2476317	Inhibition of CDK2 (unknown origin) by DiscoverX Kinome scan assay
50021951	17	ChEMBL_2476318	Inhibition of CDK4 (unknown origin) by DiscoverX Kinome scan assay
50021951	18	ChEMBL_2476319	Binding affinity to CDK6 (unknown origin) assessed as dissociation constant by SPR assay
50021951	19	ChEMBL_2476320	Binding affinity to CDK9 (unknown origin) assessed as dissociation constant by SPR analysis
50021951	20	ChEMBL_2476321	Binding affinity to CDK12 (unknown origin) assessed as dissociation constant by SPR analysis
50021951	21	ChEMBL_2476322	Binding affinity to CDK13 (unknown origin) assessed as dissociation constant by SPR analysis
50021951	22	ChEMBL_2476323	Inhibition of CDK2 (unknown origin)
50021951	23	ChEMBL_2476325	Inhibition of CDK9/Cyclin T (unknown origin)
50021951	24	ChEMBL_2476326	Inhibition of full length C-terminal CDK8 (unknown origin) extracted from Bac-to-Bac baculovirus expression system infected in Sf9 cells measured for 1 hr by HTRF assay
50021951	25	ChEMBL_2476327	Binding affinity to CDK2 (unknown origin) extracted from baculovirus infected Sf9 cells assessed as dissociation constant
50021951	26	ChEMBL_2476328	Binding affinity to N-terminal GST-tagged human CDK2 (1 to 298 residues) extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant
50021951	27	ChEMBL_2476329	Inhibition of N-terminal GST-tagged human CDK2 (1 to 298 residues) extracted from Escherichia coli BL21 (DE3)
50021951	28	ChEMBL_2476330	Inhibition of CDK12/cyclin K (unknown origin) in HEK293T cells incubated for 1 hr by TR-FRET assay
50021951	29	ChEMBL_2476331	Inhibition of 6His-tagged wild type CDK12/cyclin K (unknown origin) infected in insect cells incuabted for 60 mins by TR-FRET assay
50021951	30	ChEMBL_2476332	Inhibition of human recombinant CDK12/cyclin K extracted from baculovirus infected insect cells incubated for 1 hr by TR-FRET assay
50021951	31	ChEMBL_2476333	Inhibition of CDK13/Cyclin K (unknown origin)
50021951	32	ChEMBL_2476334	Inhibition of human recombinant GST-tagged CDK2/Cyclin E extracted from Sf9 cells using biotinylated peptide biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 30 mins followed by substrate addition and measured for 60 mins by TR-FRET analysis
50021951	33	ChEMBL_2476335	Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 extracted from Insect cells using biotinylated peptide biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for 30 mins followed by substrate addition and measured for 60 mins by TR-FRET analysis
50021952	1	ChEMBL_2476337	Inhibition of PDE4B1 (unknown origin)
50021952	2	ChEMBL_2476338	Inhibition of human N-terminal GST-tagged PDE4D7 (2 to 748 residues) expressed in baculovirus infected Sf9 insect cells using FAM-cyclic-3',5'-AMP as substrate measured after 1 hr by fluorescence polarization assay
50021952	3	ChEMBL_2476339	Inhibition of recombinant human N-terminal GST-tagged PDE4B1 (1 to 736 residues) expressed in Sf9 insect cells using FAM-cyclic-3',5'-AMP as substrate measured after 1 hr by fluorescence polarization assay
50021952	4	ChEMBL_2476341	Inhibition of PDE4D7 (unknown origin)
50021953	1	ChEMBL_2476513	Binding affinity to recombinant human TLR7 assessed as dissociation constant by SPR analysis
50021954	1	ChEMBL_2476529	Binding affinity to CM5 chip-immobilized NLRP3 (unknown origin) assessed as dissociation constant by SPR analysis
50021954	2	ChEMBL_2476531	Binding affinity to CM5 chip-immobilized LC3B (unknown origin) assessed as dissociation constant by SPR analysis
50021955	1	ChEMBL_2476607	Inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate incubated for 10 mins by absorbance based assay
50021955	2	ChEMBL_2476610	Noncompetitive inhibition of alpha-glucosidase (unknown origin) using pNPG as substrate assessed as inhibition constant incubated for 10 mins measured by Lineweaver-Burk plot analysis
50021956	1	ChEMBL_2476702	Inhibition of rat intestinal alpha-glucosidase using p-nitrophenyl glycoside as substrate assessed as D-glucose release by colorimetric analysis
50021956	2	ChEMBL_2476703	Inhibition of yeast alpha-glucosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol by spectrometric analysis
50021956	3	ChEMBL_2476710	Inhibition of bovine liver beta-glucosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol by spectrometric analysis
50021956	4	ChEMBL_2476726	Inhibition of human lysosome alpha-glucosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol by spectrometric analysis
50021956	5	ChEMBL_2476728	Inhibition of human lysosome beta-glucosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol at 1000 uM by spectrometric analysis relative to control
50021956	6	ChEMBL_2476729	Inhibition of human lysosome beta-glucosidase using p-nitrophenyl glycoside as substrate assessed as release of p-nitrophenol by spectrometric analysis
50021960	1	ChEMBL_2476730	Inhibition of fluorescently labeled 12G5 antibodies binding to CXCR4 in human MDA-MB-231 cells assessed as change in fluorescence intensity incubated for 3 hrs under dark condition by FACS assay
50021961	1	ChEMBL_2476741	Inhibition of USP1-UAF1 complex (unknown origin) using Ub-7-amido-4-methylcoumarin as substrate incubated for 2 hrs by fluorescence based analysis
50021961	2	ChEMBL_2476753	Inhibition of USP1/UAF1 complex (unknown origin) using Ub-7-amido-4-methylcoumarin as substrate assessed as inhibition constant incubated for 120 mins by Lineweaver-burk plot analysis
50021961	3	ChEMBL_2476768	Inhibition of USP1/UAF1 complex (unknown origin)
50021962	1	ChEMBL_2476769	Inhibition of Angiotensin-2 receptor (unknown origin)
50021962	2	ChEMBL_2476770	Inhibition of FXa (unknown origin)
50021962	3	ChEMBL_2476774	Binding affinity to human P2Y12 assessed as inhibition constant
50021962	4	ChEMBL_2476775	Binding affinity to rat FXa assessed as inhibition constant
50021962	5	ChEMBL_2476777	Binding affinity to FXa (unknown origin) assessed as inhibition constant
50021962	6	ChEMBL_2476778	Binding affinity to thrombin (unknown origin) assessed as inhibition constant
50021962	7	ChEMBL_2476782	Inhibition of MTP (unknown origin) assessed as reduction in triglyceride tranfer
50021962	8	ChEMBL_2476783	Inhibition of Acetyl-CoA carboxylase (unknown origin)
50021962	9	ChEMBL_2476784	Inhibition of wild type human transthyretin extracted from Escherichia coli
50021963	1	ChEMBL_2476841	Inhibition of Escherichia coli GlpG extracted from Escherichia coli C43(DE3) using KSp96 as substrate incubated for 1 hr by fluorescence based assay
50021963	2	ChEMBL_2476842	Inhibition of GlpG in wild-type Escherichia coli MC4100 using MBP-Flag-LacYTMD2-Trx as substrate
50021963	3	ChEMBL_2476843	Inhibition of recombinant human PARL using KSp106 as substrate
50021963	4	ChEMBL_2476844	Inhibition of tetracycline-inducible FLAG-tagged human PARL stably transfected in HEK293T harboring FITR/PARL KO
50021964	1	ChEMBL_2476849	Displacement of [3H]-LSD from human 5-HT6 receptor extracted from CHO-K1 cell membrane assessed as inhibition constant incubated for 60 mins by microbeta2 scintillation counter analysis
50021964	2	ChEMBL_2476851	Displacement of [3H]-Citalopram from human SERT extracted from HEK293 cell membrane assessed as inhibition constant incubated for 60 mins by microbeta2 scintillation counter analysis
50021965	1	ChEMBL_2476908	Inhibition of FGFR2 (unknown origin)
50021965	2	ChEMBL_2476909	Inhibition of FGFR2 V564F mutant (unknown origin)
50021965	3	ChEMBL_2476910	Inhibition of FGFR1 (unknown origin)
50021965	4	ChEMBL_2476911	Inhibition of FGFR3 (unknown origin)
50021965	5	ChEMBL_2476912	Inhibition of FGFR4 (unknown origin)
50021966	1	ChEMBL_2476957	Inhibition of wild-type EGFR (unknown origin)
50021966	2	ChEMBL_2476958	Inhibition of EGFR T790M/L858R mutant (unknown origin)
50021966	3	ChEMBL_2476959	Inhibition of EGFR C797S/T790M/L858R mutant (unknown origin)
50021966	4	ChEMBL_2476960	Inhibition of EGFR C797S/T790M/Del19 mutant (unknown origin)
50021967	1	ChEMBL_2477034	Inhibition of G9a (unknown origin)
50021967	2	ChEMBL_2477041	Binding affinity to G9a (unknown origin) assessed as dissociation constant by SPR analysis
50021969	1	ChEMBL_2477046	Inhibition of human N-terminal His-tagged Puromycin-sensitive aminopeptidase extracted from Escherichia coli BL21 STAR (DE3) using alanine-4-methoxy-2-naphthylamide as substrate incubated for 30 mins by SpectraMax microplate reader analysis
50021969	2	ChEMBL_2477047	Inhibition of Aminopeptidase N (unknown origin) using Ala-AMC as substrate incubated for 30 mins by SpectraMax microplate reader analysis
50021970	1	ChEMBL_2477094	Inhibition of HDAC1 (unknown origin)
50021970	2	ChEMBL_2477095	Inhibition of HDAC6 (unknown origin)
50021970	3	ChEMBL_2477097	Inhibition of HDAC2 (unknown origin)
50021970	4	ChEMBL_2477098	Inhibition of HDAC3 (unknown origin)
50021970	5	ChEMBL_2477099	Inhibition of HDAC4 (unknown origin)
50021970	6	ChEMBL_2477100	Inhibition of HDAC5 (unknown origin)
50021970	7	ChEMBL_2477101	Inhibition of HDAC7 (unknown origin)
50021970	8	ChEMBL_2477102	Inhibition of HDAC8 (unknown origin)
50021970	9	ChEMBL_2477103	Inhibition of HDAC9 (unknown origin)
50021970	10	ChEMBL_2477104	Inhibition of HDAC10 (unknown origin) by TR-FRET assay
50021970	11	ChEMBL_2477105	Inhibition of HDAC11 (unknown origin)
50021970	12	ChEMBL_2477150	Inhibition of full length human recombinant HDAC6 sing RHKK(Ac)AMC as fluorogenic substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50021971	1	ChEMBL_2477157	Inhibition of SAR-CoV-2 Main protease using Dabcyl-TSAVLQSGFRKMK-Edans as substrate incubated for 15 mins followed by substrate addition by FRET assay
50021971	2	ChEMBL_2477161	Binding affinity to human VHL (54 to 213 residues)/Elongin B (1 to104 residues)/Elongin C (17 to 112 residues) assessed as dissociation constant measured upto 120 sec by SPR method
50021972	1	ChEMBL_2477172	Inhibition of alpha-amylase (unknown origin) using 1% starch as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by colorimetric analysis
50021973	1	ChEMBL_2477212	Inhibition of N-terminal 6His-tagged wild type B-RAF (unknown origin) extracted from baculovirus by TR-FRET assay
50021973	2	ChEMBL_2477213	Inhibition of C-terminal 6His-tagged C-RAF (308 to 648 residues) (unknown origin) extracted from baculovirus infected in Sf21 cells by TR-FRET assay
50021973	3	ChEMBL_2477214	Inhibition of wild type C-RAF (unknown origin)
50021973	4	ChEMBL_2477215	Inhibition of wild-type B-RAF (unknown origin)
50021973	5	ChEMBL_2477216	Inhibition of B-RAF V600E mutant (unknown origin)
50021973	6	ChEMBL_2477217	Inhibition of ARAF (unknown origin)
50021973	7	ChEMBL_2477218	Inhibition of RAF1 Y340D (unknown origin)
50021973	8	ChEMBL_2477219	Inhibition of RAF (unknown origin)
50021973	9	ChEMBL_2477221	Inhibition of C-RAF (unknown origin)
50021973	10	ChEMBL_2477226	Inhibition of C-RAF (unknown origin) by Hotspot assay
50021973	11	ChEMBL_2477227	Inhibition of RAF1 (unknown origin) using MEK1 (K97R) as substrate preincubated for 30 mins followed by [gamma-33P]-ATP addition and measured after 60 mins by radiometric HotSpot kinase assay
50021973	12	ChEMBL_2477228	Inhibition of wild type human BRAF using MEK1 (K97R) as substrate in presence of [gamma33P]-ATP by radiometric HotSpot kinase assay
50021973	13	ChEMBL_2477229	Inhibition of B-RAF V600E mutant (unknown origin) expressed in HEK293 cells in presence of tracer incubated for 1 hr by NanoBRET assay
50021973	14	ChEMBL_2477230	Inhibition of human B-RAF by radiometric HotSpot kinase assay
50021973	15	ChEMBL_2477231	Inhibition of B-RAF (unknown origin)
50021973	16	ChEMBL_2477232	Inhibition of B-RAF V600E (unknown origin)
50021973	17	ChEMBL_2477233	Inhibition of B-RAF V600E mutant (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counter based kinase assay
50021973	18	ChEMBL_2477234	Inhibition of FLT3 (unknown origin) by enzymatic assay
50021973	19	ChEMBL_2477235	Binding affinity to B-RAF (unknown origin) assessed as dissociation constant by Isothermal Titration Calorimetric analysis
50021974	1	ChEMBL_2477236	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction
50021974	2	ChEMBL_2477238	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated for 15 mins by TR-FRET assay
50021974	3	ChEMBL_2477253	Inhibition of PD-1 (unknown origin) expressed in Jurkat T cell membranes harboring NFAT-Luc interaction with PD-L1 (unknown origin) expressed in CHO cells assessed as Jurkat T lymphocyte activation by measuring increase in luminescence intensity measured after 6 hrs by bio-glo reagent based luminescence assay
50021975	1	ChEMBL_2477375	Inhibition of HIF-2alpha (unknown origin)
50021975	2	ChEMBL_2477378	Inhibition of VEGF (unknown origin) by FRET based analysis
50021975	3	ChEMBL_2477379	Binding affinity to HIF-2alpha (unknown origin) assessed as dissociation constant by MST assay
50021976	1	ChEMBL_2477385	Inhibition of C-terminal FLAG-tagged full-length recombinant human HDAC6 (1 to 1215 residues) expressed in Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	2	ChEMBL_2477386	Inhibition of C-terminal 6xHis-tagged full-length recombinant human HDAC1 (1 to 482 residues) expressed in Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	3	ChEMBL_2477387	Inhibition of N-terminal FLAG-tagged recombinant human HDAC10 (2 to 631 residues) expressed in baculovirus infected Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	4	ChEMBL_2477388	Inhibition of C-terminal His-tagged full-length recombinant human HDAC8 (1 to 377 residues) expressed in Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	5	ChEMBL_2477389	Inhibition of C-terminal His-tagged recombinant human HDAC3 (1 to 428 residues) expressed in baculovirus infected Sf9 insect cells co-expressing NCOR2 using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	6	ChEMBL_2477390	Inhibition of C-terminal His-tagged recombinant human HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021976	7	ChEMBL_2477391	Inhibition of full-length recombinant human HDAC11 (1 to 347 residues) extracted from Sf9 insect cells using a fluorogenic substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50021977	1	ChEMBL_2477435	Inhibition of G9a (unknown origin) by AlphaLISA assay
50021977	2	ChEMBL_2477436	Inhibition of NSD2 (unknown origin) by AlphaLISA assay
50021977	3	ChEMBL_2477439	Inhibition of GLP (unknown origin)
50021977	4	ChEMBL_2477440	Inhibition of PRMT1 (unknown origin)
50021977	5	ChEMBL_2477441	Inhibition of PRMT4 (unknown origin)
50021977	6	ChEMBL_2477442	Inhibition of PRMT5 (unknown origin)
50021977	7	ChEMBL_2477443	Inhibition of EZH2 (unknown origin)
50021977	8	ChEMBL_2477444	Inhibition of MLL1 (unknown origin)
50021977	9	ChEMBL_2477445	Inhibition of MLL4 (unknown origin)
50021977	10	ChEMBL_2477446	Inhibition of DNMT1 (unknown origin)
50021978	1	ChEMBL_2477501	Inhibition of TRK (unknown origin)
50021978	2	ChEMBL_2477502	Inhibition of TRKA G595R mutant (unknown origin) using TK as substrate incubated for 30 mins in presence of ATP by HTRF assay
50021978	3	ChEMBL_2477503	Inhibition of TRKA F589L mutant (unknown origin) using TK as substrate incubated for 30 mins in presence of ATP by HTRF assay
50021978	4	ChEMBL_2477504	Inhibition of TRKA G667C mutant (unknown origin) using TK as substrate incubated for 30 mins in presence of ATP by HTRF assay
50021978	5	ChEMBL_2477505	Inhibition of TRKA (unknown origin) using TK as substrate incubated for 30 mins in presence of ATP by HTRF assay
50021978	6	ChEMBL_2477506	Inhibition of TRKC (unknown origin) using TK as substrate incubated for 40 mins in presence of ATP by HTRF assay
50021979	1	ChEMBL_2477603	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50021979	2	ChEMBL_2477604	Inhibition of Staphylococcus aureus topoisomerase-IV assessed as reduction in decatenation using kinetoplast DNA as substrate incubated for 20 mins by ethidium bromide staining based agarose gel electrophoresis method
50021979	3	ChEMBL_2477606	Inhibition of Escherichia coli DNA gyrase using relaxed pBR322 DNA as substrate incubated at 37 degreeC for 30 to 45 mins followed by incubation at 75 degreeC for 10 mins by ethidium bromide staining based agarose gel electrophoresis method
50021980	1	ChEMBL_2477610	Binding affinity to human galectin 9C by fluorescence anisotropy
50021980	2	ChEMBL_2477613	Binding affinity to human galectin 3 by fluorescence anisotropy
50021980	3	ChEMBL_2477614	Binding affinity to human C-terminal galectin 8 by fluorescence anisotropy
50021980	4	ChEMBL_2477615	Binding affinity to human galectin 1 by fluorescence anisotropy
50021980	5	ChEMBL_2477616	Binding affinity to human N-terminal galectin 8 (4 to 158 residues) expressed in Escherichia coli TUNER (DE3) incubated for 20 hrs in presence of IPTG by fluorescence anisotropy
50021981	1	ChEMBL_2477629	Inhibition of human DGAT2 extracted from baculovirus infected Sf9 cell membrane using 13C-oleoyl-CoA as substrate by measuring [13C]18-triolein production
50021982	1	ChEMBL_2477656	Inhibition of Cav1.2 (unknown origin)
50021982	2	ChEMBL_2477657	Inhibition of Nav1.5 (unknown origin)
50021983	1	ChEMBL_2477684	Inhibition of human recombinant COX-2
50021983	2	ChEMBL_2477697	Inhibition of human COX-2 using arachidonic acid as substrate by ELISA
50021983	3	ChEMBL_2477698	Inhibition of LOX-15 (unknown origin)
50021983	4	ChEMBL_2477699	Inhibition of COX-2 (unknown origin)
50021983	5	ChEMBL_2477700	Inhibition of IL-17A (unknown origin)
50021985	1	ChEMBL_2477702	Binding affinity to SARS-CoV2 PLpro (71 to 314 residues) expressed in Escherichia coli BL21(DE3) by SOFAST-HMQC titration assay
50021985	2	ChEMBL_2477704	Inhibition of SARS-CoV2 PLpro (1 to 315 residues) expressed in Escherichia coli BL21(DE3) using Ac-RLKGG-AMC as substrate preincubated for 30 mins followed by substrate addition and measured after 5 to 15 mins
50021985	3	ChEMBL_2477705	Inhibition of SARS-CoV2 PLpro
50021985	4	ChEMBL_2477707	Inhibition of SARS-CoV2 PLpro using Z-RLRGG-AMC as substrate preincubated for 30 mins followed by substrate addition
50021986	1	ChEMBL_2477713	Inhibition of SARS-CoV-2 papain-like protease using Z-RLRGG-AMC as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by plate reader assay
50021987	1	ChEMBL_2477753	Inhibition of NLRP3 in LPS/nigericin induced human THP-1 cells assessed as reduction in pyroptosis pretreated for 3 hrs in presence of LPS followed by nigericin addition and measured after 1 hr by resazurin dye based analysis
50021988	1	ChEMBL_2477755	Inhibition of CDK7 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	2	ChEMBL_2477756	Inhibition of CDK9 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	3	ChEMBL_2477759	Inhibition of CDK1 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	4	ChEMBL_2477760	Inhibition of CDK5 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	5	ChEMBL_2477761	Inhibition of CDK3 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	6	ChEMBL_2477762	Inhibition of CDK2 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	7	ChEMBL_2477763	Inhibition of CDK4 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	8	ChEMBL_2477764	Inhibition of CDK6 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs by FRET assay
50021988	9	ChEMBL_2477765	Inhibition of Aurora A (unknown origin)
50021988	10	ChEMBL_2477766	Inhibition of human EPHA1 incubated for 1 hr by HTRF assay
50021988	11	ChEMBL_2477767	Inhibition of human IGF1R incubated for 1 hr by HTRF assay
50021988	12	ChEMBL_2477768	Inhibition of human TRKA incubated for 1 hr by HTRF assay
50021988	13	ChEMBL_2477769	Inhibition of human BMX incubated for 1 hr by HTRF assay
50021988	14	ChEMBL_2477770	Inhibition of human TEC incubated for 1 hr by HTRF assay
50021988	15	ChEMBL_2477771	Inhibition of human recombinant BTK incubated for 1 hr by HTRF assay
50021988	16	ChEMBL_2477772	Inhibition of human BLK incubated for 1 hr by HTRF assay
50021988	17	ChEMBL_2477773	Inhibition of human EGFR incubated for 1 hr by HTRF assay
50021988	18	ChEMBL_2477774	Inhibition of human HCK incubated for 1 hr by HTRF assay
50021988	19	ChEMBL_2477775	Inhibition of human LYN incubated for 1 hr by HTRF assay
50021988	20	ChEMBL_2477776	Inhibition of human MET incubated for 1 hr by HTRF assay
50021989	1	ChEMBL_2477834	Inhibition of telomerase activity in human HL-60 cells incubated for 96 hrs by TRAP-PCR assay
50021990	1	ChEMBL_2477894	Inhibition of 5HT2A (unknown origin)
50021990	2	ChEMBL_2477896	Inhibition of 5HT1A (unknown origin)
50021991	1	ChEMBL_2477899	Activation of His-tagged human PP5 extracted from Escherichia coli BL21 using pNPP as substrate assessed as increase in phosphatase activity incubated for 30 mins by spectrophotometric analysis
50021991	2	ChEMBL_2477906	Binding affinity to full length His-tagged human PP5 extracted from Escherichia coli BL21 assessed as dissociation constant by ITC analysis
50021991	3	ChEMBL_2477907	Binding affinity to His-tagged human PP5 phosphatase domain extracted from Escherichia coli BL21 assessed as dissociation constant by ITC analysis
50021991	4	ChEMBL_2477909	Binding affinity to His-tagged human PP5 TPR domain extracted from Escherichia coli BL21 assessed as dissociation constant by biolayer interferometric analysis
50021991	5	ChEMBL_2477911	Competitive binding affinity to His-tagged human PP5 TPR domain extracted from Escherichia coli BL21 assessed as dissociation constant preincubated with DDO-3733 for 10 mins by biolayer interferometric analysis
50021991	6	ChEMBL_2477912	Inhibition of human PP5 phosphatase domain extracted from Escherichia coli BL21 using pNPP as substrate incubated for 30 mins by spectrophotometric analysis
50021991	7	ChEMBL_2477913	Inhibition of DDO-3733 preincubated human PP5 phosphatase domain extracted from Escherichia coli BL21 using pNPP as substrate incubated for 30 mins by spectrophotometric analysis
50021991	8	ChEMBL_2477924	Binding affinity to PP5 K430A mutant (unknown origin) assessed as dissociation constant by ITC analysis
50021991	9	ChEMBL_2477931	Binding affinity to human PP5 extracted from Escherichia coli BL21 using immobilized CDC37 as substrate assessed as increase in PP5 binding to substrate by measuring dissociation constant preincubated with compound for 10 mins followed by CDC37 addition by biolayer interferometric analysis (Rvb = 20.9 nM )
50021992	1	ChEMBL_2477973	Binding affinity to N-terminal 6His-tagged recombinant human STAT3 (127 to 722 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by isothermal titration calorimetry analysis
50021993	1	ChEMBL_2478014	Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo reagent assay relative to control
50021993	2	ChEMBL_2478015	Inhibition of PI3Kbeta (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo reagent assay
50021993	3	ChEMBL_2478021	Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo reagent assay
50021993	4	ChEMBL_2478022	Inhibition of PI3Kgamma (unknown origin) incubated for 60 mins in presence of ATP by ADP-Glo reagent assay
50021994	1	ChEMBL_2478141	Antagonist activity at PPAR gamma LBD (203 to 476 residues) (unknown origin) expressed in HEK293T cells co-transfected with pCMV-GAL4-PPARgamma-LBD-SV40-Renilla-luciferase assessed as reduction of rosiglitazone induced PPAR-gamma activation incubated for 24 hrs by dural-luciferase reporter assay
50021994	2	ChEMBL_2478142	Binding affinity to PPAR gamma LBD (203 to 476 residues) (unknown origin) extracted from Escherichia coli BL21 (DE3) cells assessed as dissociation constant by Isothermal titration calorimetry method
50021994	3	ChEMBL_2478143	Binding affinity to PPAR gamma LBD (203 to 476 residues) (unknown origin) extracted from Escherichia coli BL21 (DE3) cells assessed as dissociation constant in presence of rosiglitazone by Isothermal titration calorimetry method
50021995	1	ChEMBL_2478170	Binding affinity to N-terminal MDMX (23 to 111 residues) (unknown origin) extracted from Escherichia coli BL21-Gold (DE3) assessed as dissociation constant by FRET analysis
50021995	2	ChEMBL_2478171	Binding affinity to N-terminal MDM2 (24 to 109 residues) (unknown origin) extracted from Escherichia coli BL21-Gold (DE3) assessed as dissociation constant by FRET analysis
50021995	3	ChEMBL_2478172	Binding affinity to His-tagged MDMX (1 to 110 residues) (unknown origin) assessed as dissociation constant by MST assay
50021995	4	ChEMBL_2478173	Binding affinity to His-tagged MDM2 (1 to 110 residues) (unknown origin) assessed as dissociation constant by MST assay
50021995	5	ChEMBL_2478174	Binding affinity to MDMX (unknown origin) assessed as dissociation constant
50021995	6	ChEMBL_2478175	Binding affinity to MDM2 (unknown origin) assessed as dissociation constant
50021995	7	ChEMBL_2478176	Binding affinity to N-terminal human MDMX (22 to 110 residues) extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant
50021995	8	ChEMBL_2478177	Binding affinity to GST-tagged human MDM2 extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant
50021995	9	ChEMBL_2478183	Inhibition of MDMX (unknown origin)
50021995	10	ChEMBL_2478184	Inhibition of MDM2 (unknown origin)
50021995	11	ChEMBL_2478201	Binding affinity to MDM2 (unknown origin) assessed as inhibition constant
50021995	12	ChEMBL_2478202	Binding affinity to MDMX (unknown origin) assessed as inhibition constant
50021996	1	ChEMBL_2478231	Inhibition of human SIRT1 preincubated for 15 mins followed by H3K9Ac (KQTARK(Ac)STGGWW) peptide addition and measured after 5 mins
50021996	2	ChEMBL_2478232	Inhibition of human SIRT2 preincubated for 15 mins followed by H3K9Ac (KQTARK(Ac)STGGWW) peptide addition and measured after 5 mins
50021996	3	ChEMBL_2478233	Inhibition of human SIRT3 preincubated for 15 mins followed by H3K9Ac (KQTARK(Ac)STGGWW) peptide addition and measured after 10 mins
50021998	1	ChEMBL_2478328	Binding affinity to eEF2K (unknown origin) assessed as dissociation constant measured by SPR analysis
50021998	2	ChEMBL_2478394	Inhibition of CK1 (unknown origin)
50021998	3	ChEMBL_2478444	Inhibition of eEF2K (unknown origin) measured after 30 mins of incubation
50021999	1	ChEMBL_2478520	Activation of N-terminal His-tagged recombinant Escherichia coli ClpP expressed in Escherichia coli SG1146(DE3) assessed as degradation of casein-FITC preincubated for 10 mins followed by casein addition measured for over 100 mins by fluorescence based assay
50021999	2	ChEMBL_2478521	Activation of N-terminal His-tagged recombinant Neisseria gonorrhoeae ClpP expressed in Escherichia coli SG1146(DE3) assessed as degradation of casein-FITC preincubated for 10 mins followed by casein addition measured for over 100 mins by fluorescence based assay
50021999	3	ChEMBL_2478522	Binding affinity to His-tagged recombinant Escherichia coli ClpP extracted from Escherichia coli SG1146(DE3) using casein as substrate assessed as apparent dissociation constant incubated upto 120 mins by SDS-PAGE analysis
50021999	4	ChEMBL_2478523	Binding affinity to His-tagged recombinant Neisseria gonorrhoeae ClpP extracted from Escherichia coli SG1146(DE3) using casein as substrate assessed as apparent dissociation constant incubated upto 120 mins by SDS-PAGE analysis
50022000	1	ChEMBL_2478550	Inhibition of ALKBH1 (unknown origin) by FP assay
50022000	2	ChEMBL_2478551	Inhibition of N-terminal 6xHis-tagged human ALKBH1 extracted from Escherichia coli BL21(DE3) using 5'-AACTTCGTGCAGGCATGGG(6mA)TCTTGTCTACT-3'/5'-FAM-AGTAGACACATGCCTGCACGAAGTT-3' as substrate preincubated for 30 mins followed by substrate addition by fluorescence polarization assay
50022000	3	ChEMBL_2478558	Binding affinity to 6xHis-tagged human ALKBH1 extracted from Escherichia coli BL21(DE3) assessed as dissociation constant by ITC assay
50022000	4	ChEMBL_2478560	Inhibition of demethylation of 6xHis-tagged human ALKBH1 extracted from Escherichia coli BL21(DE3) using 5'-AACTTCGT GCAGGCATGGGG(6mA)TCTTGTCTACT-3'/5'-AGTAGACACATGCCTGCACGAAGTT-3' as substrate incubated for 3 hrs by electrophoretic analysis
50022000	5	ChEMBL_2478561	Inhibition of demethylation of 6xHis-tagged human ALKBH2 (56 to 261 residues) extracted from Escherichia coli BL21(DE3) by electrophoretic analysis
50022000	6	ChEMBL_2478562	Inhibition of demethylation of 6xHis-tagged human ALKBH3 (70to 286 residues) extracted from Escherichia coli BL21(DE3) by electrophoretic analysis
50022000	7	ChEMBL_2478563	Inhibition of demethylation of 6xHis-tagged human ALKBH5 (66 to 292 residues) extracted from Escherichia coli BL21(DE3) preincubated with compound and 5'-TAGACATTGCCATTCTCGATAGG(6mA)TCCGGTCAAACCTAGACGAATTCCA-3' for 2 hrs followed by addition of FAM-labeled (5'-TGGAATTCGTCTAGGTTTGACCGGATCCTATCGAGAATGGCAATGTCTA-3') by electrophoretic analysis
50022000	8	ChEMBL_2478564	Inhibition of demethylation of 6xHis-tagged human FTO (32 to 505 residues) extracted from Escherichia coli BL21(DE3) preincubated with compound and 5'-TAGACATTGCCATTCTCGATAGG(6mA)TCCGGTCAAACCTAGACGAATTCCA-3' for 2 hrs followed by addition of FAM-labeled (5'-TGGAATTCGTCTAGGTTTGACCGGATCCTATCGAGAATGGCAATGTCTA-3') by electrophoretic analysis
50022001	1	ChEMBL_2478647	Inhibition of 6his-tagged N/C-terminal CHIKV nsP2 (1009 to 1329 residues) extracted from Escherichia coli Rosetta2 (DE3) cells preincubated with compound for 30 mins followed by peptide substrate addition and measured after 1.5 hrs by fluorescence based microplate reader analysis
50022002	1	ChEMBL_2478659	Inhibition of FGFR3 N540K mutant (unknown origin) by NanoBRET assay
50022002	2	ChEMBL_2478660	Inhibition of FGFR3 G380R mutant (unknown origin) by NanoBRET assay
50022002	3	ChEMBL_2478661	Inhibition of wild-type FGFR3 (unknown origin) by NanoBRET assay
50022002	4	ChEMBL_2478666	Inhibition of recombinant TEL/VEGFR2 (unknown origin) transduced in mouse BaF3 cells incubated for 48 hrs by Cell Titer Glo assay
50022002	5	ChEMBL_2478670	Inhibition of wild-type FGFR3 (unknown origin) by mobility shift assay
50022002	6	ChEMBL_2478671	Inhibition of FGFR3 K650E mutant (unknown origin) by mobility shift assay
50022002	7	ChEMBL_2478672	Inhibition of FGFR3 K650M mutant (unknown origin) by mobility shift assay
50022002	8	ChEMBL_2478673	Inhibition of FGFR3 V555L mutant (unknown origin) by mobility shift assay
50022002	9	ChEMBL_2478674	Inhibition of FGFR3 V555M mutant (unknown origin) by mobility shift assay
50022002	10	ChEMBL_2478675	Inhibition of human FLT4 by KINOMEscan analysis
50022002	11	ChEMBL_2478676	Inhibition of human FGFR2 by KINOMEscan analysis
50022002	12	ChEMBL_2478677	Inhibition of human FGFR4 by KINOMEscan analysis
50022002	13	ChEMBL_2478678	Inhibition of human JAK2 by KINOMEscan analysis
50022002	14	ChEMBL_2478679	Inhibition of human LTK by KINOMEscan analysis
50022002	15	ChEMBL_2478680	Inhibition of human FGFR1 by KINOMEscan analysis
50022002	16	ChEMBL_2478681	Inhibition of human FLT1 by KINOMEscan analysis
50022002	17	ChEMBL_2478682	Inhibition of human JAK3 by KINOMEscan analysis
50022002	18	ChEMBL_2478683	Inhibition of human VEGFR2 by KINOMEscan analysis
50022003	1	ChEMBL_2478735	Inhibition of recombinant LSD1 (unknown origin) expressed in BL21(DE3) cells using H3K4me2 as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by microplate reader assay
50022003	2	ChEMBL_2478739	Inhibition of LSD2 (unknown origin)
50022003	3	ChEMBL_2478740	Inhibition of MAO-A (unknown origin)
50022003	4	ChEMBL_2478741	Inhibition of MAO-B (unknown origin)
50022004	1	ChEMBL_2478779	Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/nigericin induced IL-1beta production by ELISA
50022004	2	ChEMBL_2478780	Binding affinity to human NLRP3 assessed as dissociation constant by SPR analysis
50022004	3	ChEMBL_2478783	Inhibition of NLRP3 inflammasome activation in M-CSF induced C57BL/6 mouse BMDM cells assessed as inhibition of LPS/nigericin induced IL-1beta production preincubated with LPS for 4 hrs followed by compound addition for 30 mins and further incubated with nigericin for 30 mins by ELISA
50022004	4	ChEMBL_2478784	Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 cells assessed as inhibition of LPS/nigericin induced IL-1beta production preincubated with LPS for 4 hrs followed by compound addition for 30 mins and further incubated with nigericin for 30 mins by ELISA
50022005	1	ChEMBL_2478906	Inhibition of electric eel AChE by microplate reader based analysis
50022005	2	ChEMBL_2478907	Inhibition of equine serum BuChE by microplate reader based analysis
50022005	3	ChEMBL_2478936	Inhibition of human Ache
50022005	4	ChEMBL_2478937	Inhibition of human Bche
50022006	1	ChEMBL_2479093	Inhibition of PCSK9 transcriptional activity in human HepG2 cells by luciferase reporter based assay
50022007	1	ChEMBL_2479123	Inhibition of HPSE1 (unknown origin)
50022007	2	ChEMBL_2479124	Inhibition of GUSbeta (unknown origin)
50022008	1	ChEMBL_2479126	Inhibition of human neutrophil elastase by enzymatic assay
50022008	2	ChEMBL_2479129	Inhibition of PR3 (unknown origin) activity
50022008	3	ChEMBL_2479130	Inhibition of SIRT2 (unknown origin) activity
50022009	1	ChEMBL_2479157	Inhibition of proMMP-9 (unknown origin)
50022009	2	ChEMBL_2479161	Inhibition of proMMP-2 (unknown origin)
50022009	3	ChEMBL_2479162	Inhibition of proMMP-13 (unknown origin)
50022010	1	ChEMBL_2479163	Inhibition of EZH2 (unknown origin)
50022011	1	ChEMBL_2479224	Inhibition of alpha-Synuclein (unknown origin) aggregation assessed as aggregation inhibition ratio incubated for 72 hrs by Thioflavin T fluorescence assay
50022012	1	ChEMBL_2479261	Inhibition of N-terminal poly his-tagged recombinant RIPK2 (8 to 310 residues) (unknown origin) expressed in Sf9 cells preincubated for 15 mins followed by ATP addition and measured after 90 mins mins by by ADP-Glo reagent based luminescence assay
50022012	2	ChEMBL_2479262	Inhibition of RIPK2 in C14-Tri-LAN-Gly stimulated NOD1 in human THP-1 cells expressing luciaTM NF-kappaB assessed as reduction in NF-Kappa B activation measured after 24 hrs by QUANTI-Luc reagent based luminescence assay
50022012	3	ChEMBL_2479263	Inhibition of RIPK2 in MDP stimulated NOD2 in human THP-1 cells expressing luciaTM NF-kappaB assessed as reduction in NF-Kappa B activation measured after 24 hrs by QUANTI-Luc reagent based luminescence assay
50022013	1	ChEMBL_2479301	Binding affinity to PKCdelta (unknown origin) assessed as inhibition constant
50022014	1	ChEMBL_2479341	Displacement of [3H]-DAMGO from human MOR extracted from HEK293 cell membrane assessed as inhibition constant
50022014	2	ChEMBL_2479342	Displacement of [3H]DPDPE from human DOR extracted from HEK293 cell membrane assessed as inhibition constant
50022014	3	ChEMBL_2479343	Displacement of [3H]U-69593 from human KOR extracted from HEK293 cell membrane assessed as inhibition constant
50022015	1	ChEMBL_2479389	Inhibition of human SERT expressed in HEK293 cells assessed as reduction in 5-HT reuptake incubated for 30 mins by fluorescent dye uptake assay
50022015	2	ChEMBL_2479391	Binding affinity to human 5-HT1A receptor extracted from HEK293 cell membrane assessed as inhibition of [3H]-OH-DPAT binding to 5-HT1A by measuring inhibition constant at 1 uM incubated for 1 hrs by microbeta2 reader
50022015	3	ChEMBL_2479393	Binding affinity to human 5-HT7 receptor extracted from HEK293 cell membrane assessed as inhibition of [3H]LSD binding to 5-HT7 by measuring inhibition constant at 1 uM incubated for 1 hrs by microbeta2 reader
50022016	1	ChEMBL_2479421	Inhibition of DPP4 (unknown origin)
50022016	2	ChEMBL_2479423	Binding affinity to DPP4 (unknown origin) assessed as inhibition constant
50022016	3	ChEMBL_2479424	Inhibition of human recombinant DPP4 expressed in Sf21 cells using Gly-Pro-7-AMC substrate pre-incubated for 30 mins followed by substrate addition and measured for 1 hr by fluorescence based analysis
50022016	4	ChEMBL_2479425	Inhibition of human recombinant DPP4 using Gly-Pro-MCA as substrate by fluorescence based analysis
50022017	1	ChEMBL_2479447	Inhibition of c-MET (unknown origin)
50022017	2	ChEMBL_2479448	Inhibition of ALK (unknown origin)
50022017	3	ChEMBL_2479452	Inhibition of wildtype EGFR (unknown origin)
50022017	4	ChEMBL_2479453	Inhibition of EGFR L858R/T790M mutant (unknown origin)
50022017	5	ChEMBL_2479464	Inhibition of HDAC1 (unknown origin)
50022017	6	ChEMBL_2479467	Inhibition of HDAC1 (unknown origin) expressed in Sf9 cells using Z-Lys(Ac)-AMC as fluorogenic substrate preincubated for 60 mins followed by substrate addition and measured after 1 hr by fluorescence based microplate analysis
50022017	7	ChEMBL_2479468	Inhibition of c-Met (unknown origin) by mobility shift assay
50022017	8	ChEMBL_2479469	Inhibition of ALK (unknown origin) by TR-FRET assay
50022017	9	ChEMBL_2479478	Inhibition of AXL (unknown origin)
50022017	10	ChEMBL_2479479	Inhibition of COX-2 (unknown origin)
50022017	11	ChEMBL_2479488	Inhibition of PIM-1 (unknown origin)
50022017	12	ChEMBL_2479491	Inhibition of PI3K alpha (unknown origin)
50022017	13	ChEMBL_2479503	Inhibition of TRKA (unknown origin)
50022017	14	ChEMBL_2479504	Inhibition of TRKB (unknown origin)
50022017	15	ChEMBL_2479508	Inhibition of FGFR1 (unknown origin)
50022017	16	ChEMBL_2479509	Inhibition of FGFR2 (unknown origin)
50022017	17	ChEMBL_2479510	Inhibition of FGFR3 (unknown origin)
50022019	1	ChEMBL_2479515	Inhibition of human full length KDM5B using ART(Kme3)QTARKSTGGKAPRKQLANovaTagPEG-biotin as substrate incubated for 30 to 45 mins by TR-FRET assay
50022019	2	ChEMBL_2479541	Inhibition of N-terminal His6/GST-tagged KDM5B catalytic core (1 to 769 residues) (unknown origin) expressed in baculovirus infected High Five cells by FDH-coupled assay
50022019	3	ChEMBL_2479542	Inhibition of KDM5B (1 to 809 residues) (unknown origin) AlphaLISA assay
50022019	4	ChEMBL_2479543	Inhibition of recombinant human KDM5B (M1 to R822 residues) expressed in Sf9 cells using 2-OG and histone H3 substrate peptide as substrates preincubated for 15 mins followed by substrate addition and measured after 20 mins by AlphaScreen assay
50022020	1	ChEMBL_2479550	Inhibition of Nav1.5 (unknown origin)
50022022	1	ChEMBL_2479552	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated for 24 hrs by ThT assay
50022022	2	ChEMBL_2479553	Antagonist activity at human alpha3/beta4 nAChR expressed in HEK293 cells assessed as nicotine-induced intracellular calcium release
50022022	3	ChEMBL_2479554	Inhibition of human TRPC5 expressed in HEK293T cells assessed as intracellular calcium influx measured for 30 mins by Fluo-4 AM dye based fluorescence analysis
50022022	4	ChEMBL_2479555	Antagonist activity at human TRPC5 expressed in HEK293 cells assessed as inhibition of calcium influx by calcium fluorescence assay
50022022	5	ChEMBL_2479556	Antagonist activity at TRPC5 (unknown origin)
50022023	1	ChEMBL_2479572	Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay
50022023	2	ChEMBL_2479577	Inhibition of 6xHis-tagged VHL (1 to 213 residues)/Elongin B/Elogin C (unknown origin) expressed in Escherichia coli BL21 cells by fluorescence polarization assay
50022024	1	ChEMBL_2479589	Inhibition of AChE (unknown origin)
50022024	2	ChEMBL_2479590	Inhibition of BchE (unknown origin)
50022024	3	ChEMBL_2479608	Inhibition of AChE (unknown origin) using acetylcholineesterase as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50022026	1	ChEMBL_2479691	Inhibition of MPS1 (unknown origin)
50022026	2	ChEMBL_2479698	Inhibition of human recombinant TTK expressed in Escherichia coli Rossetta 2 (DE3) incubated for 1 hr by TR-FRET assay
50022026	3	ChEMBL_2479699	Inhibition of His-tagged wild type MPS1 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr
50022026	4	ChEMBL_2479700	Inhibition of JNK1 (unknown origin) using ATF2 as substrate after 1 hr by Lanthascreen TR-FRET assay
50022026	5	ChEMBL_2479711	Inhibition of human MPS1
50022026	6	ChEMBL_2479721	Inhibition of TTK (unknown origin)
50022026	7	ChEMBL_2479725	Inhibition of CDK2 (unknown origin)
50022026	8	ChEMBL_2479726	Inhibition of AURORA-A (unknown origin)
50022026	9	ChEMBL_2479730	Inhibition of human recombinant MSP1 expressed in Escherichia coli
50022027	1	ChEMBL_2479748	Antagonist activity at Agrobacterium tumefaciens TraR receptor
50022027	2	ChEMBL_2479751	Inhibition of LasR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 assessed as inhibition of elastase production
50022027	3	ChEMBL_2479752	Inhibition of LasR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 assessed as inhibition of pyocyanin production incubated for 24 hrs by absorbance based assay
50022027	4	ChEMBL_2479754	Inhibition of PqsR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 assessed as inhibition of pyocyanin production incubated for 24 hrs by absorbance based assay
50022027	5	ChEMBL_2479756	Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1-L assessed as reduction in HHQ level at 0.1 uM by LCMS/MS analysis
50022027	6	ChEMBL_2479757	Antagonist activity at PqsR in Pseudomonas aeruginosa IPCD48 clinical isolate assessed as reduction in PQS level at 0.1 uM by LCMS/MS analysis
50022027	7	ChEMBL_2479758	Antagonist activity at PqsR in wild-type Pseudomonas aeruginosa PAO1 assessed as reduction in AQ level
50022027	8	ChEMBL_2479759	Inhibition of PqsR-mediated quorum sensing system in Pseudomonas aeruginosa PAO1 assessed as inhibition of pyocyanin production at 20 uM incubated for 24 hrs by absorbance based assay
50022028	1	ChEMBL_2479761	Inhibition of METTL3 in human Huh-7 cells assessed as down regulation of m6A RNA level at 2 uM incubated for 72 hrs by colorimetric analysis
50022028	2	ChEMBL_2479763	Inhibition of METTL3/METTL14 (unknown origin)
50022028	3	ChEMBL_2479764	Inhibition of recombinant METTL3/METTL14 (unknown origin) expressed in baculovirus infected in Sf9 cells by HTRF method
50022028	4	ChEMBL_2479765	Inhibition of full length His-tagged METTL3 co-expressed with full length FLAG-tagged METTL14 (unknown origin) expressed in baculovirus expression system using (5'P-UACACUCGAUCUGGACUAAAGCUGCUC-3') as substrate pre-treated for 60 mins followed by substrate addition and measured for 1 hr by RapidFire mass spectrometry analysis
50022028	5	ChEMBL_2479766	Inhibition of full-length human recombinant METTL3 (369 to 580 residues) expressed in baculovirus expression system infected in Sf9 cells by fluorescence based analysis
50022028	6	ChEMBL_2479767	Inhibition of full length His-tagged METTL3 (unknown origin) expressed in Sf9 cells by RapidFire mass spectrometry analysis
50022028	7	ChEMBL_2479768	Binding affinity to METTL3/METTL14 (unknown origin) assessed as dissociation constant
50022028	8	ChEMBL_2479769	Inhibition of human METTL3 expressed in HeLa cells
50022028	9	ChEMBL_2479770	Inhibition of mouse METTL3
50022028	10	ChEMBL_2479771	Inhibition of METTL3 in human MOLM-13 cells assessed as down regulation of m6A RNA level incubated for 72 hrs by Dot blot assay
50022028	11	ChEMBL_2479772	Inhibition of METTL3 (unknown origin)
50022028	12	ChEMBL_2479773	Inhibition of METTL3/METTL14 (unknown origin) by RapidFire mass spectrometry analysis
50022028	13	ChEMBL_2479775	Binding affinity to METTL3 (unknown origin) assessed as dissociation constant by SPR assay
50022028	14	ChEMBL_2479776	Inhibition of ALKBH5 (unknown origin) expressed in Escherichia coli BL21 (DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3 as substrate pre-incubated for 30 mins followed by substrate addition and measured for 1 hrs by FP based analysis
50022028	15	ChEMBL_2479777	Inhibition of N-terminal FTO (unknown origin)
50022028	16	ChEMBL_2479779	Inhibition of FTO (unknown origin)
50022028	17	ChEMBL_2479780	Inhibition of FTO (unknown origin) expressed in Escherichia coli by FP assay
50022028	18	ChEMBL_2479781	Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate incubated for 30 mins by FP based assay
50022028	19	ChEMBL_2479785	Inhibition of FTO (unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-TAGACATTGCCATTCTCGATAGG(m6A)-TCCGGTCAAACCTAGACGAATTCCA-3' as substrate by FP assay
50022028	20	ChEMBL_2479786	Inhibition of N-terminal ALKBH5 (unknown origin) expressed in Sf9 cells
50022028	21	ChEMBL_2479787	Inhibition of ALKBH5 (unknown origin)
50022028	22	ChEMBL_2479788	Binding affinity to YTHDC1 (unknown origin) assessed as dissociation constant
50022028	23	ChEMBL_2479789	Inhibition of YTHDC1 (unknown origin)
50022028	24	ChEMBL_2479790	Inhibition of YTHDC1 (unknown origin) by HTRF assay
50022028	25	ChEMBL_2479792	Inhibition of GST-tagged YTHDF2 (unknown origin) by HTRF assay
50022028	26	ChEMBL_2479793	Inhibition of YTHDF1 (unknown origin) by AlphaScreen assay
50022029	1	ChEMBL_2479799	Inhibition of N-terminal His-tagged human GPX4 expressed in Escherichia coli
50022029	2	ChEMBL_2479800	Inhibition of GPX4 (unknown origin)
50022030	1	ChEMBL_2480013	Inhibition of FLT3 (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	2	ChEMBL_2480014	Inhibition of FLT4 (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	3	ChEMBL_2480015	Inhibition of FMS (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	4	ChEMBL_2480016	Inhibition of PDGFRalpha (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	5	ChEMBL_2480017	Inhibition of TrkA (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	6	ChEMBL_2480018	Inhibition of TrkC (unknown origin) using myelin basic protein as substrate measured after 40 mins in presence of [gamma-33P]-ATP by scintillation counting method
50022030	7	ChEMBL_2480021	Inhibition of NanoLuc-fused FMS (unknown origin) transfected in HEK293 cells by NanoBRET assay
50022031	1	ChEMBL_2480034	Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by microplate reader assay
50022031	2	ChEMBL_2480035	Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by microplate reader assay
50022032	1	ChEMBL_2480151	Inhibition of alpha-amylase (unknown origin)
50022032	2	ChEMBL_2480152	Inhibition of intestinal alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by spectrophotometric analysis
50022032	3	ChEMBL_2480154	Inhibition of human salivary alpha-amylase incubated for 10 mins by spectrophotometric analysis
50022033	1	ChEMBL_2480157	Inhibition of TRPC5 (unknown origin) expressed in HEK293 cells assessed as reduction in englerin A stimulated Ca2+ influx by FLIPR assay
50022033	2	ChEMBL_2480169	Inhibition of TRPC3 (unknown origin) expressed in HEK293 cells assessed as reduction in OAG stimulated Ca2+ influx by FLIPR assay
50022033	3	ChEMBL_2480170	Inhibition of TRPC4 (unknown origin) expressed in HEK293 cells assessed as reduction in englerin A stimulated Ca2+ influx by FLIPR assay
50022033	4	ChEMBL_2480171	Inhibition of TRPC6 (unknown origin) expressed in HEK293 cells assessed as reduction in OAG stimulated Ca2+ influx by FLIPR assay
50022033	5	ChEMBL_2480172	Inhibition of TRPC7 (unknown origin) expressed in HEK293 cells assessed as reduction in OAG stimulated Ca2+ influx by FLIPR assay
50022034	1	ChEMBL_2480200	Inhibition of recombinant human DHODH followed by DHO substrate by DCIP dye absorbance based spectrophotometric analysis
50022034	2	ChEMBL_2480253	Inhibition of KOP (unknown origin)
50022034	3	ChEMBL_2480254	Binding affinity to recombinant human DHODH assessed as dissociation constant by surface plasmon resonance assay
50022035	1	ChEMBL_2480262	Inhibition of human HDAC1 incubated for 10 mins and measured after 30 mins by ELISA
50022035	2	ChEMBL_2480263	Inhibition of human HDAC6 using Ac-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	3	ChEMBL_2480265	Inhibition of recombinant human HDAC1 using RHKKAc as substrate
50022035	4	ChEMBL_2480266	Inhibition of recombinant human HDAC6 using RHKKAc as substrate
50022035	5	ChEMBL_2480268	Inhibition of recombinant human full length HDAC6 using Boc-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	6	ChEMBL_2480269	Inhibition of C-terminal His6/Flag-tagged recombinant human full length HDAC1 using Boc-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	7	ChEMBL_2480270	Inhibition of recombinant human full length HDAC2 using Boc-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	8	ChEMBL_2480271	Inhibition of recombinant human HDAC4 using Boc-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	9	ChEMBL_2480272	Inhibition of N-terminal GST-tagged recombinant human HDAC7 (518 to end residues) expressed in baculovirus expression system using Boc-Lys (Tfa)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	10	ChEMBL_2480273	Inhibition of N-terminal FLAG-tagged recombinant human HDAC10 (2 to 631 residues) expressed in baculovirus sf9 insect cells expression system using Boc-Lys (Ac)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022035	11	ChEMBL_2480274	Inhibition of recombinant human full length HDAC11 using Boc-Lys (Tfa)-AMC as substrate incubated for 120 mins by fluorescence analysis
50022036	1	ChEMBL_2480328	Inhibition of glutaminyl cyclase (unknown origin)
50022036	2	ChEMBL_2480329	Inhibition of GSK-3beta (unknown origin)
50022037	1	ChEMBL_2480352	Inhibition of wild type EGFR (unknown origin) incubated for 40 mins in presence of ATP by kinase glo max assay
50022037	2	ChEMBL_2480353	Inhibition of EGFR (unknown origin)
50022038	1	ChEMBL_2480357	Inhibition of human LDH-A incubated for 10 mins in presence of NADPH by fluorescence based reader assay
50022038	2	ChEMBL_2480358	Inhibition of human LDH-B incubated for 10 mins in presence of NADPH by fluorescence based reader assay
50022038	3	ChEMBL_2480362	Binding affinity to His-tagged LDHA (unknown origin) assessed as dissociation constant in presence of NADPH by surface plasmon resonance
50022038	4	ChEMBL_2480363	Binding affinity to His-tagged LDHA (unknown origin) assessed as dissociation constant in absence of NADPH by surface plasmon resonance
50022038	5	ChEMBL_2480364	Binding affinity to His-tagged LDHA (unknown origin) assessed as dissociation constant in presence of NADPH under steady state condition by surface plasmon resonance
50022038	6	ChEMBL_2480365	Binding affinity to His-tagged LDHA (unknown origin) assessed as dissociation constant in absence of NADPH under steady state condition by surface plasmon resonance
50022039	1	ChEMBL_2480416	Inhibition of recombinant SARS CoV-2 main protease by FRET assay
50022041	1	ChEMBL_2480417	Displacement of [3H]-LSD from human 5-HT6 receptor extracted from HEK293 cell membrane by microbeta plate reader analysis
50022041	2	ChEMBL_2480418	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor extracted from HEK293 cell membrane by microbeta plate reader analysis
50022041	3	ChEMBL_2480419	Displacement of [3H]-ketanserin from human 5-HT2A receptor extracted from CHO-K1 cell membrane by microbeta plate reader analysis
50022041	4	ChEMBL_2480420	Displacement of [3H]-5-CT from human 5-HT7 receptor extracted from HEK293 cell membrane by microbeta plate reader analysis
50022041	5	ChEMBL_2480421	Displacement of [3H]-raclopride from human D2L receptor extracted from HEK293 cell membrane by microbeta plate reader analysis
50022042	1	ChEMBL_2480450	Allosteric inhibition of HIV-1 integrase by ELISA based IN-DNA assembly/Strand transfer assay
50022043	1	ChEMBL_2480461	Binding affinity to VHL/Elongin C/Elogin B (unknown origin) using FAM-DEALA-Hyp-YIPMDDDFQLRSF as substrate assessed as dissociation constant by fluorescence polarization assay
50022043	2	ChEMBL_2480467	Displacement of JC-9 probe from recombinant VHL/Elongin C/Elogin B (unknown origin) using FAM-DEALA-Hyp-YIPMDDDFQLRSF as substrate assessed as dissociation constant by competitive fluorescence polarization assay
50022043	3	ChEMBL_2480468	Binding affinity to VHL/Elongin C/Elogin B (unknown origin) assessed as dissociation constant at 20 uM by ITC analysis
50022044	1	ChEMBL_2480522	Inhibition of drug-resistant Staphylococcus aureus topoisomerase 4
50022045	1	ChEMBL_2480549	Inhibition of L-type calcium channel in rat aorta assessed as vasorelaxation of thoracic aorta in presence of endothelium
50022046	1	ChEMBL_2480574	Inhibition of PD-1/PD-L1 interaction in human Jurkat T cells co-cultured with CHO/TCRAct/PDL1 cells assessed as restoration of T cell activation measured for 6 hrs by luminescence based immune checkpoint blockade assay
50022046	2	ChEMBL_2480579	Inhibition of human PD-1/PD-L1 interaction incubated for 1 hr by HTRF assay
50022046	3	ChEMBL_2480581	Inhibition of human PD-1/PD-L1 interaction incubated for 2 hr by HTRF assay
50022047	1	ChEMBL_2480596	Inhibition of rat DNA polymerase beta using DNA as substrate incubated for 60 mins in presence of [3h]dTMP
50022048	1	ChEMBL_2480634	Displacement of [3H]DTG from sigma-2 receptor (unknown origin) assessed as inhibition constant
50022048	2	ChEMBL_2480635	Displacement of [3H]DTG from sigma-1 receptor (unknown origin) assessed as inhibition constant
50022048	3	ChEMBL_2480636	Displacement of [3H]DTG from 5HT2B receptor (unknown origin) assessed as inhibition constant
50022048	4	ChEMBL_2480638	Displacement of [3H]DTG from 5HT2A receptor (unknown origin) assessed as inhibition constant
50022049	1	ChEMBL_2480640	Inhibition of electric eel AChE assessed as residual enzyme activity using acetylthiocholine iodide as substrate and measured for 10 mins by Ellman's colorimetric assay
50022049	2	ChEMBL_2480641	Inhibition of horse serum BChE assessed as residual enzyme activity using butyrylthiocholine iodide as substrate by Ellman's colorimetric assay
50022049	3	ChEMBL_2480644	Inhibition of human recombinant FAAH assessed as substrate hydrolysis using 7-amino-4-methyl2H-1-benzopyran-2-one-5Z,8Z,11Z,14Z-eicosatetraenamide as substrate by measuring fluorescence emissions
50022049	4	ChEMBL_2480648	Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate at 0.1 to 10 uM by Lineweaver-Burk plot analysis
50022050	1	ChEMBL_2480658	Inhibition of GFRalpha1 (unknown origin)
50022050	2	ChEMBL_2480660	Inhibition of GFRalpha2 (unknown origin)
50022050	3	ChEMBL_2480662	Inhibition of GFRalpha3 (unknown origin)
50022050	4	ChEMBL_2480664	Inhibition of RET (unknown origin)
50022051	1	ChEMBL_2480698	Inhibition of Staphylococcus aureus pyruvate carboxylase by FVB based high-throughput fixed time assay
50022051	2	ChEMBL_2480699	Inhibition of Staphylococcus aureus Pyruvate carboxylase using using pyruvate, HCO3-, ATP and NADH as substrate assessed as oxaloacetate formation by measuring NADH oxidation by spectrophotometry based malate dehydrogenase coupled enzyme assay
50022051	3	ChEMBL_2480701	Non-competitive inhibition of Staphylococcus aureus pyruvate carboxylase assessed as inhibition constant pretreated with ATP followed by pyruvate, HCO3- and NADH addition by steady state kinetic analysis
50022051	4	ChEMBL_2480702	Mixed type inhibition of Staphylococcus aureus pyruvate carboxylase assessed as inhibition constant pretreated with ATP followed by pyruvate, HCO3- and NADH addition by steady state kinetic analysis
50022051	5	ChEMBL_2480703	Mixed type inhibition of Staphylococcus aureus pyruvate carboxylase assessed as inhibition constant pretreated with pyruvate followed by ATP, HCO3- and NADH addition by steady state kinetic analysis
50022052	1	ChEMBL_2480716	Agonist activity at human AHR stably tranfected in HEK293-T-REx cells co-expressing EGFP assessed as increase in AHR nuclear translocation incubated for 45 mins by Hoechst staining based fluorescence imaging analysis
50022053	1	ChEMBL_2480762	Inhibition of recombinant human heparanase preincubated for 1 hr followed by HADP probe addition and measured after 4 hrs by plate reader assay
50022054	1	ChEMBL_2480787	Inhibition of N-terminal His-tagged recombinant human FER using FL-Peptide22 as substrate incubated for 90 mins in presence of ATP
50022055	1	ChEMBL_2480815	Inhibition of CDK2 in human OVCAR-3 cells assessed as inhibition of retinoblastoma protein phosphorylation at S807/811 residues measured after 24 hrs by TR-FRET assay
50022056	1	ChEMBL_2480865	Inhibition of mushroom tyrosinase monophenolase activity
50022056	2	ChEMBL_2480870	Inhibition of mushroom tyrosinase
50022056	3	ChEMBL_2480872	Inhibition of mushroom tyrosinase diphenolase activity
50022058	1	ChEMBL_2480875	Inhibition of wild type Plasmodium falciparum DHFR
50022058	2	ChEMBL_2480877	Inhibition of human DHFR
50022058	3	ChEMBL_2480882	Inhibition of wild type Plasmodium falciparum DHFR expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using DHF as substrate measured for 80 sec in presence of NADPH
50022058	4	ChEMBL_2480884	Inhibition of human DHFR expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using DHF as substrate measured for 80 sec in presence of NADPH
50022060	1	ChEMBL_2480895	Binding affinity to GST-tagged full length WDR5 (unknown origin) expressed in Escherichia coli assessed as inhibition constant
50022060	2	ChEMBL_2480897	Binding affinity to DOT1L (unknown origin) assessed as inhibition constant
50022060	3	ChEMBL_2480900	Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction by HTRF assay
50022060	4	ChEMBL_2480901	Binding affinity to Bcl-XL (unknown origin) assessed as inhibition constant by fluorescence polarization assay
50022061	1	ChEMBL_2481033	Inhibition of human Nav1.2 expressed in HEK293 cells at -40 mv holding potential measured after 5 mins by whole cell voltage clamp electrophysiological analysis
50022061	2	ChEMBL_2481034	Inhibition of human Nav1.2 expressed in HEK293 cells at -120 mv holding potential measured after 5 mins by whole cell voltage clamp electrophysiological analysis
50022061	3	ChEMBL_2481108	Inhibition of Nav1.2 (unknown origin)
50022062	1	ChEMBL_2481134	Inhibition of human HMGR
50022063	1	ChEMBL_2481222	Inhibition of C-terminal his-tagged human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022063	2	ChEMBL_2481223	Inhibition of C-terminal flag-tagged recombinant human HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022063	3	ChEMBL_2481224	Inhibition of C-terminal his-tagged recombinant human HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022063	4	ChEMBL_2481225	Inhibition of C-terminal his-tagged recombinant human HDAC8 using BocLys(TFA)-AM as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022064	1	ChEMBL_2481376	Inhibition of IP6K1 (unknown origin) using IP6 as substrate incubated for 30 mins in presence of ATP by ADPGlo enzymatic assay
50022066	1	ChEMBL_2481455	Inhibition of xanthine oxidase (unknown origin) by absorbance based assay
50022066	2	ChEMBL_2481456	Inhibition of URAT1 (unknown origin) by absorbance based assay
50022067	1	ChEMBL_2481598	Binding affinity to human MCL-1 measured by competition against fluorescently labelled BH3 - Bid measured after 6 hrs by fluorescent polarization assay
50022067	2	ChEMBL_2481599	Inhibition of Mcl-1 (unknown origin) by time-resolved fluorescence resonance energy transfer (TR-FRET) based Mcl-1 binding assay
50022067	3	ChEMBL_2481600	Binding affinity to recombinant 6XHis-tagged human MCL1 (171-327) expressed in Escherichia coli by fluorescence polarization (FP) assay
50022067	4	ChEMBL_2481601	Inhibition of recombinant N-terminal GST-tagged human MCL1 (171-327) expressed in Escherichia coli by fluorescence polarization (FP) assay
50022067	5	ChEMBL_2481602	Binding affinity to MCL-1 (unknown origin) by quench assay
50022067	6	ChEMBL_2481603	Binding affinity to Mcl-1 (unknown origin) pre-incubated for 30 mins followed by addition FAM-peptide further incubated for 20 mins by fluorescence polarization-based binding assay
50022067	7	ChEMBL_2481605	Binding affinity to Bcl-2 (unknown origin) pre-incubated for 30 mins followed by addition FAM-peptide further incubated for 20 mins by fluorescence polarization-based binding assay
50022067	8	ChEMBL_2481606	Binding affinity to Bcl-xL (unknown origin) pre-incubated for 30 mins followed by addition FAM-peptide further incubated for 20 mins by fluorescence polarization-based binding assay
50022067	9	ChEMBL_2481607	Binding affinity to Bfl-1 (unknown origin) pre-incubated for 30 mins followed by addition FAM-peptide further incubated for 20 mins by fluorescence polarization-based binding assay
50022068	1	ChEMBL_2481749	Inhibition of His-tagged PP5 (169 to 499 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using pNPP as substrate incubated for 30 mins
50022068	2	ChEMBL_2481750	Inhibition of MBP-tagged PP1 (16 to 330 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using pNPP as substrate incubated for 30 mins
50022068	3	ChEMBL_2481819	Inhibition of human PPP5C (169 to 499 residues) expressed in Escherichia coli using [32P]-phosphohistone as substrate preincubated for 10 mins followed by substrate addition
50022068	4	ChEMBL_2481820	Inhibition of PP1 (unknown origin)
50022068	5	ChEMBL_2481822	Inhibition of PP5 (unknown origin)
50022070	1	ChEMBL_2481823	Inhibition of full length His-tagged human METTL3 co-expressed with full length FLAG-tagged human METTL14 expressed in baculovirus expression system using (5'P-UACACUCGAUCUGGACUAAAGCUGCUC-3') as substrate preincubated for 10 mins follwed by substrate addition and measured after 60 mins by RapidFire mass spectrometry
50022071	1	ChEMBL_2481981	Inhibition of PKAcalpha (unknown origin) using CREB KRREILSRRPSYR-biotinylated peptide as substrate incubated for 45 mins in presence of ATP by ELISA
50022072	1	ChEMBL_2481987	Inhibition of EML4-ALK (unknown origin) expressed in mouse BaF3 cells by HTRF assay
50022072	2	ChEMBL_2481988	Inhibition of EML4-ALK G1202R mutant (unknown origin)
50022072	3	ChEMBL_2481989	Inhibition of wild type ALK (unknown origin)
50022072	4	ChEMBL_2481990	Inhibition of wild type TRKA (unknown origin)
50022072	5	ChEMBL_2481991	Inhibition of TRKA G595R mutant (unknown origin)
50022072	6	ChEMBL_2481992	Inhibition of TRKA G667C mutant (unknown origin)
50022072	7	ChEMBL_2481994	Inhibition of wild type ROS1 (unknown origin)
50022072	8	ChEMBL_2481996	Inhibition o wild type TRKA (unknown origin)
50022072	9	ChEMBL_2481997	Inhibition of TRKC (unknown origin) by TR-FRET assay
50022072	10	ChEMBL_2481998	Inhibition of TRKC G623R mutant (unknown origin)
50022072	11	ChEMBL_2481999	Inhibition of ALK G1202R mutant (unknown origin)
50022072	12	ChEMBL_2482000	Inhibition of wild type RET (unknown origin)
50022072	13	ChEMBL_2482001	Inhibition of RET G810R mutant (unknown origin)
50022072	14	ChEMBL_2482002	Inhibition of FLT3 ITD mutant (unknown origin) using MBP as substrate incubated for 2 hrs by ADP-Glo assay
50022072	15	ChEMBL_2482003	Inhibition of FLT3 ITD mutant (unknown origin)
50022072	16	ChEMBL_2482004	Inhibition of FLT3 D835Y mutant (unknown origin)
50022072	17	ChEMBL_2482005	Inhibition of wild type EGFR (unknown origin)
50022072	18	ChEMBL_2482006	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50022072	19	ChEMBL_2482008	Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin)
50022075	1	ChEMBL_2482013	Inhibition of HDAC in human HeLa cell extracts preincubated for 5 mins followed by fluorescence substrate addition and measured after 20 mins
50022075	2	ChEMBL_2482021	Inhibition of HDAC1 (unknown origin)
50022075	3	ChEMBL_2482022	Inhibition of HDAC2 (unknown origin)
50022075	4	ChEMBL_2482023	Inhibition of HDAC3 (unknown origin)
50022075	5	ChEMBL_2482024	Inhibition of HDAC8 (unknown origin)
50022075	6	ChEMBL_2482025	Inhibition of HDAC4 (unknown origin)
50022075	7	ChEMBL_2482026	Inhibition of HDAC5 (unknown origin)
50022075	8	ChEMBL_2482027	Inhibition of HDAC7 (unknown origin)
50022075	9	ChEMBL_2482028	Inhibition of HDAC9 (unknown origin)
50022075	10	ChEMBL_2482029	Inhibition of HDAC6 (unknown origin)
50022075	11	ChEMBL_2482030	Inhibition of HDAC10 (unknown origin)
50022075	12	ChEMBL_2482031	Inhibition of HDAC11 (unknown origin)
50022076	1	ChEMBL_2482156	Inhibition of SARS CoV-2 MPro
50022076	2	ChEMBL_2482158	Inhibition of full-length SARS CoV-2 MPro expressed in Escherichia coli BL21(DE3) using Boc-Abu-Tle-Leu-Gln-AMC as substrate incubated for 10 mins by fluorescence based assay
50022077	1	ChEMBL_2482212	Inhibition of CDK2 (unknown origin) by luminescence kinase assay
50022078	1	ChEMBL_2482230	Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs by ThioflavinT staining based fluorescence assay
50022079	1	ChEMBL_2482290	Inhibition of MAO-B (unknown origin)
50022079	2	ChEMBL_2482291	Inhibition of AChE (unknown origin)
50022079	3	ChEMBL_2482293	Inhibition of human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by Amplex Red reagent based fluorescence analysis
50022079	4	ChEMBL_2482300	Inhibition of human MAO-B using p-tyramine as substrate incubated for 30 mins by Amplex Red reagent based fluorescence analysis
50022079	5	ChEMBL_2482301	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 30 min by DTNB reagent based Ellman's method
50022080	1	ChEMBL_2482432	Inhibition of PI3K alpha (unknown origin)
50022080	2	ChEMBL_2482434	Binding affinity to ATM (unknown origin) assessed as inhibition constant
50022080	3	ChEMBL_2482436	Binding affinity to Vps34 (unknown origin) assessed as inhibition constant
50022080	4	ChEMBL_2482438	Inhibition of PI3Kdelta (unknown origin)
50022080	5	ChEMBL_2482440	Inhibition of ATM (unknown origin)
50022080	6	ChEMBL_2482442	Inhibition of mTOR (unknown origin)
50022080	7	ChEMBL_2482443	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after 30 mins by TR-FRET assay
50022080	8	ChEMBL_2482444	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured for 1 hr by ADP-glo plus luminescence assay
50022080	9	ChEMBL_2482445	Inhibition of PI3Kgamma (unknown origin)
50022080	10	ChEMBL_2482446	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50022080	11	ChEMBL_2482447	Inhibition of ATR (unknown origin)
50022080	12	ChEMBL_2482448	Inhibition of DNA-PK (unknown origin)
50022082	1	ChEMBL_2482450	Binding affinity to METTL3 (unknown origin) assessed as dissociation constant
50022082	2	ChEMBL_2482451	Inhibition of METTL16 (unknown origin)
50022083	1	ChEMBL_2482467	Inhibition of recombinant full length N-terminal GST-tagged human PKCbeta1 expressed in baculovirus infected Sf9 insect cells using ERMRPRKRQGSVRRRV as substrate incubated for 60 mins in presence of ATP by ADP-glo reagent based luminometric analysis
50022085	1	ChEMBL_2482527	Inhibition of recombinant human caspase-1 expressed in Escherichia coli BL21 cells using Ac-WHED-AMC as substrate incubated for 30 mins
50022086	1	ChEMBL_2482654	Binding affinity to human recombinant CA II assessed as inhibition constant
50022086	2	ChEMBL_2482655	Binding affinity to human recombinant CA III assessed as inhibition constant
50022086	3	ChEMBL_2482656	Binding affinity to human recombinant CA II assessed as dissociation constant
50022086	4	ChEMBL_2482657	Binding affinity to human recombinant CA III assessed as dissociation constant
50022086	5	ChEMBL_2482658	Displacement of dansylamide from human recombinant CA II expressed in Escherichia coli BL21 DE3 assessed as dissociation constant by fluorescence microplate reader
50022086	6	ChEMBL_2482659	Binding affinity to human recombinant CA II expressed in Escherichia coli assessed as dissociation constant by fluorescent thermal shift assay
50022086	7	ChEMBL_2482660	Binding affinity to human recombinant CA III expressed in Escherichia coli assessed as dissociation constant by fluorescent thermal shift assay
50022087	1	ChEMBL_2482661	Inhibition of PI3K alpha (unknown origin) using PI3:PS as substrate incubated for 1 hr in presence of ATP by ADP-glo kinase assay
50022087	2	ChEMBL_2482662	Inhibition of PI3Kgamma (unknown origin) using PI3:PS as substrate incubated for 1 hr in presence of ATP by ADP-glo kinase assay
50022087	3	ChEMBL_2482663	Inhibition of PI3Kdelta (unknown origin) using PI3:PS as substrate incubated for 1 hr in presence of ATP by ADP-glo kinase assay
50022087	4	ChEMBL_2482664	Inhibition of PI3K alpha (unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 2 hrs by TLC analysis
50022087	5	ChEMBL_2482665	Inhibition of PI3Kgamma(unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 4 hrs by TLC analysis
50022087	6	ChEMBL_2482666	Inhibition of PI3Kdelta (unknown origin) using diC8 PIP2 as substrate assessed as decrease in [alpha-32P]ADP formation incubated for 2 hrs by TLC analysis
50022087	7	ChEMBL_2482679	Inhibition of PI3Kalpha in human SK-OV-3 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis
50022087	8	ChEMBL_2482680	Inhibition of PI3Kbeta in human 786-0 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis
50022087	9	ChEMBL_2482681	Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis
50022087	10	ChEMBL_2482682	Inhibition of PI3Kdelta in human Raji cells assessed as reduction in AKT phosphorylation at S473 residue incubated for 2 hrs by Western blot analysis
50022088	1	ChEMBL_2482720	Inhibition of recombinant human GST-tagged PKMYT1 (75 to 362 residues) expressed in insect cells using GTDEGIYDVPLLG as substrate preincubated for 15 mins followed by substrate and ATP addition and measured after 1 hr by ADP-Glo kinase assay
50022088	2	ChEMBL_2482722	Inhibition of ACK1 (unknown origin)
50022088	3	ChEMBL_2482723	Inhibition of Arg (unknown origin)
50022088	4	ChEMBL_2482724	Inhibition of BLK (unknown origin)
50022088	5	ChEMBL_2482725	Inhibition of BRK (unknown origin)
50022088	6	ChEMBL_2482726	Inhibition of cSRC (unknown origin)
50022088	7	ChEMBL_2482727	Inhibition of DDR1 (unknown origin)
50022088	8	ChEMBL_2482728	Inhibition of EphA1 (unknown origin)
50022088	9	ChEMBL_2482729	Inhibition of EphB2 (unknown origin)
50022088	10	ChEMBL_2482730	Inhibition of EphB1 (unknown origin)
50022088	11	ChEMBL_2482731	Inhibition of EphB4 (unknown origin)
50022088	12	ChEMBL_2482732	Inhibition of Fgr (unknown origin)
50022088	13	ChEMBL_2482733	Inhibition of HCK (unknown origin)
50022088	14	ChEMBL_2482734	Inhibition of LCK (unknown origin)
50022088	15	ChEMBL_2482735	Inhibition of Lyn (unknown origin)
50022088	16	ChEMBL_2482736	Inhibition of YES (unknown origin)
50022089	1	ChEMBL_2482754	Inhibition of MEK1 (unknown origin)
50022089	2	ChEMBL_2482755	Inhibition of BRAF (unknown origin)
50022090	1	ChEMBL_2482910	Inhibition of NLRP3 inflammasome activation in LPS/nigericin stimulated mouse BMDMs assessed as reduction in IL-1beta release pretreated with LPS for 3 hrs followed by compound addition for 40 mins prior to nigericin stimulation for 40 mins by ELISA
50022090	2	ChEMBL_2482911	Inhibition of NLRP3 inflammasome activation in LPS/nigericin stimulated human PBMC assessed as reduction in IL-1beta release pretreated with LPS for 3 hrs followed by compound addition for 40 mins prior to nigericin stimulation for 40 mins by ELISA
50022090	3	ChEMBL_2482938	Binding affinity to human NLRP3 by SPR assay
50022091	1	ChEMBL_2482947	Binding affinity to human BCL1 assessed as inhibition constant
50022092	1	ChEMBL_2483000	Activation of human recombinant his-sumo tagged ClpP expressed in Escherichia coli BL21 (DE3) using FITC-casein as substrate preincubated for 30 mins followed by substrate addition and measured every 60 secs for 30 mins by fluorescence based microplate reader analysis
50022092	2	ChEMBL_2483004	Binding affinity to human recombinant N-terminal 6his/sumo tagged ClpP (57 to 277 residues) assessed as dissociation constant incubated for 30 mins by MST assay
50022092	3	ChEMBL_2483007	Binding affinity to ClpP in human MIA PaCa-2 cells assessed as dissociation constant at 67 degreeC measured after 2 hrs by Western blot analysis
50022093	1	ChEMBL_2483147	Inhibition of CDK9 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs in presence of ATP by FRET assay
50022093	2	ChEMBL_2483148	Inhibition of human recombinant HDAC1 using Ac-Lys-Tyr-Lys(eta-acetyl)-AMC as substrate incubated for 24 hrs by fluorescence based Envision plate reader analysis
50022093	3	ChEMBL_2483149	Inhibition of human recombinant HDAC3 using Ac-Lys-Tyr-Lys(eta-acetyl)-AMC as substrate incubated for 24 hrs by fluorescence based Envision plate reader analysis
50022093	4	ChEMBL_2483150	Inhibition of human recombinant HDAC6 using Boc-Lys(eta-acetyl)-AMC as substrate incubated for 24 hrs by fluorescence based Envision plate reader analysis
50022093	5	ChEMBL_2483153	Inhibition of CDK2 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs in presence of ATP by FRET assay
50022093	6	ChEMBL_2483154	Inhibition of CDK7 (unknown origin) using ULight 4EBP1 peptide as substrate incubated for 2 hrs in presence of ATP by FRET assay
50022093	7	ChEMBL_2483155	Inhibition of human recombinant HDAC4 using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate incubated for 24 hrs by fluorescence based Envision plate reader analysis
50022093	8	ChEMBL_2483200	Inhibition of FLT3 (unknown origin)
50022093	9	ChEMBL_2483201	Inhibition of CHK1 (unknown origin)
50022093	10	ChEMBL_2483202	Inhibition of JAK3 (unknown origin)
50022093	11	ChEMBL_2483203	Inhibition of PIM1 (unknown origin)
50022093	12	ChEMBL_2483204	Inhibition of CDK2 (unknown origin)
50022093	13	ChEMBL_2483205	Inhibition of EGFR (unknown origin)
50022093	14	ChEMBL_2483206	Inhibition of DRAK2 (unknown origin)
50022093	15	ChEMBL_2483207	Inhibition of P70S6K (unknown origin)
50022093	16	ChEMBL_2483208	Inhibition of AurorA (unknown origin)
50022093	17	ChEMBL_2483209	Inhibition of IRAK4 (unknown origin)
50022093	18	ChEMBL_2483210	Inhibition of BTK (unknown origin)
50022094	1	ChEMBL_2483266	Inhibition of human PDE1A
50022094	2	ChEMBL_2483267	Inhibition of human PDE4B1
50022094	3	ChEMBL_2483268	Inhibition of human Cathepsin B
50022094	4	ChEMBL_2483269	Inhibition of human Cathepsin D
50022094	5	ChEMBL_2483270	Inhibition of human Factor VIIa
50022094	6	ChEMBL_2483271	Inhibition of human Factor Xa
50022094	7	ChEMBL_2483272	Inhibition of human MMP-1
50022094	8	ChEMBL_2483273	Inhibition of human MMP-9
50022094	9	ChEMBL_2483274	Inhibition of human caspase-3
50022094	10	ChEMBL_2483275	Inhibition of human caspase-8
50022094	11	ChEMBL_2483276	Inhibition of human DPP4
50022094	12	ChEMBL_2483277	Inhibition of human BACE-1
50022095	1	ChEMBL_2483391	Binding affinity to YAP (unknown origin) assessed as dissociation constant by SPR analysis
50022096	1	ChEMBL_2483453	Inhibition of 6-His-tagged human Aurora A (126 to 390 residues) expressed in Escherichia coli BL21 (DE3) cells/N-terminal his-tagged/GB-1 fused human TPX2 (7 to 43 residues) expressed in Escherichia coli protein-protein interaction assessed as dissociation constant of compound binding to aurora A in presence of ATP by competitive fluorescence polarization assay
50022096	2	ChEMBL_2483455	Binding affinity to 6-His-tagged human Aurora A (126 to 390 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant by ITC analysis
50022096	3	ChEMBL_2483472	Inhibition of Aurora A-TPX2 protein-protein interaction in human HeLa cells assessed as mislocalization of aurora A by measuring displacement from spindle incubated for 2 hrs by Hoechst/DAPI staining based imaging analysis
50022096	4	ChEMBL_2483473	Inhibition of Aurora A-TPX2 protein-protein interaction in human HeLa cells assessed as reduction in aurora A phosphorylation at Thr288 residue incubated for 2 hrs by Hoechst/DAPI staining based imaging analysis
50022097	1	ChEMBL_2483529	Agonist activity at SREBP1c (unknown origin) stably transfected in human HepG2 cells assessed as increase in luciferase activity by counterscreen luciferase reporter assay
50022097	2	ChEMBL_2483531	Agonist activity at GST tagged LXRalpha (unknown origin) using SRC1 as coactivator peptide incubated for 1 hr by coactivator recruitment based TR-FRET assay
50022097	3	ChEMBL_2483532	Agonist activity at GST tagged LXRbeta (unknown origin) using SRC1 as coactivator peptide incubated for 1 hr by coactivator recruitment based TR-FRET assay
50022097	4	ChEMBL_2483562	Agonist activity at FXR (unknown origin)
50022097	5	ChEMBL_2483563	Agonist activity at FXR LBD (unknown origin) transfected in HEK293T cells incubated for 16 hrs by Gal4-reporter gene based luciferase assay
50022097	6	ChEMBL_2483570	Activation of ABCA1 (unknown origin)
50022097	7	ChEMBL_2483572	Activation of SREBP1c (unknown origin)
50022098	1	ChEMBL_2483576	Inhibition of recombinant human LSD1 using Histone H3 as fluorometric substrate incubated for 30 mins by HRP based plate reader assay
50022098	2	ChEMBL_2483577	Inhibition of recombinant EZH2 (unknown origin) using SAM and H3 peptide as substrate incubated for 60 mins by MTase-Glo reagent analysis
50022098	3	ChEMBL_2483581	Inhibition of EZH1 (unknown origin)
50022098	4	ChEMBL_2483583	Inhibition of MAO-A (unknown origin)
50022099	1	ChEMBL_2483757	Inhibition of human recombinant CA1 by phenol red dye based stopped flow CO2 hydration assay
50022099	2	ChEMBL_2483758	Inhibition of human recombinant CA2 by phenol red dye based stopped flow CO2 hydration assay
50022099	3	ChEMBL_2483759	Inhibition of human recombinant CA9 by phenol red dye based stopped flow CO2 hydration assay
50022099	4	ChEMBL_2483760	Inhibition of human recombinant CA12 by phenol red dye based stopped flow CO2 hydration assay
50022101	1	ChEMBL_2483974	Agonist activity at full length GST-tagged human THR-alpha LBD incubated for 1 hr in presence of fluorescein labeled SRC2-2 peptide by Lanthascreen TR-FRET assay
50022101	2	ChEMBL_2483976	Agonist activity at full length GST-tagged human THR-beta LBD incubated for 1 hr in presence of fluorescein labeled SRC2-2 peptide by Lanthascreen TR-FRET assay
50022101	3	ChEMBL_2483979	Agonist activity at THR-alpha in HEK293T cells incubated for 18 to 24 hrs by EnSpire plate reader analysis
50022101	4	ChEMBL_2483981	Agonist activity at THR-beta in HEK293T cells incubated for 18 to 24 hrs by EnSpire plate reader analysis
50022101	5	ChEMBL_2484007	Inhibition of human recombinant UGT1A1 in presence of UDPGA cofactor
50022101	6	ChEMBL_2484063	Substrate activity at BCRP in human Caco-2 cells at 0.0457 to 100 uM measured for 120 mins
50022101	7	ChEMBL_2484064	Inhibition of OATP1B1 (unknown origin) stably transfected in HEK293 cells at 1 to 100 uM
50022102	1	ChEMBL_2484145	Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition measured after 2 mins by DTNB reagent based Ellman's method
50022102	2	ChEMBL_2484146	Inhibition of human AChE by Ellman's method
50022102	3	ChEMBL_2484147	Inhibition of human BChE by Ellman's method
50022102	4	ChEMBL_2484179	Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition measured after 2 mins by DTNB reagent based Ellman's method
50022103	1	ChEMBL_2484180	Binding affinity to GST-tagged PIN1 (unknown origin) assessed as dissociation constant by SPR analysis
50022103	2	ChEMBL_2484181	Inhibition of His-tagged PIN1 (unknown origin) TAMRA labelled Bth-D-pThr-Pip-L-2Nal as substrate incubated for 30 mins by fluorescence polarization analysis
50022103	3	ChEMBL_2484189	Binding affinity to GST-tagged PIN1 (unknown origin) using N-terminal fluorescein-labeled Bth-D-pThr-Pip-Nal as substrate assessed as inhibition constant incubated for 14 hrs by fluorescence polarization assay
50022103	4	ChEMBL_2484192	Inhibition of PARP-1 (unknown origin)
50022103	5	ChEMBL_2484212	Inhibition of PIN1 (unknown origin) prolyl isomerase activity
50022103	6	ChEMBL_2484213	Inhibition of recombinant human PIN1 prolyl isomerase activity measured after 180 mins
50022103	7	ChEMBL_2484214	Inhibition of PIN1 (unknown origin)
50022104	1	ChEMBL_2484363	Inhibition of Nano Luc-fused PIM3 (unknown origin) expressed in HEK293 cells using NanoGlo as substrate by NanoBRET In-cell target engagement assay
50022105	1	ChEMBL_2484372	Inhibition of FXIa (unknown origin)
50022106	1	ChEMBL_2484532	Binding affinity to KLHL3 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50022106	2	ChEMBL_2484533	Binding affinity to human N-terminal KLHL3 (290 to 587 residues) extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant by fluorescence polarization assay
50022106	3	ChEMBL_2484534	Binding affinity to KLHL12 (unknown origin) extracted from Escherichia coli BL21 Gold (DE3) assessed as dissociation constant by fluorescence polarization assay
50022106	4	ChEMBL_2484535	Binding affinity to KLHL12 (unknown origin) assessed as inhibition constant
50022106	5	ChEMBL_2484537	Inhibition of Keap1-Nrf2 protein-protein interaction (unknown origin) by fluorescence polarization assay
50022106	6	ChEMBL_2484538	Binding affinity to KLHL20 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50022107	1	ChEMBL_2484539	Inhibition of human recombinant GST-tagged PDE1A
50022107	2	ChEMBL_2484541	Inhibition of PDE1B (unknown origin)
50022107	3	ChEMBL_2484542	Inhibition of PDE1C (unknown origin)
50022107	4	ChEMBL_2484543	Inhibition of PDE2A (unknown origin)
50022107	5	ChEMBL_2484544	Inhibition of PDE2A (unknown origin) using 3H-cGMP as substrate
50022107	6	ChEMBL_2484545	Inhibition of PDE3A (unknown origin) using FAM-cAMP as substrate incubated for 45 mins by TR-FRET analysis
50022107	7	ChEMBL_2484546	Inhibition of human recombinant PDE3B using FAM-cyclic-3',5'-AMP as substrate incubated for 1 hrs by fluorescence polarization based assay
50022107	8	ChEMBL_2484547	Inhibition of PDE4D (unknown origin)
50022107	9	ChEMBL_2484548	Inhibition of PDE4D2 (unknown origin)
50022107	10	ChEMBL_2484549	Inhibition of human recombinant PDE4B1 using FAM-cGMP as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 30 mins by spectrofluorimetric analysis
50022107	11	ChEMBL_2484550	Inhibition of PDE4 (unknown origin)
50022107	12	ChEMBL_2484551	Inhibition of PDE5A (unknown origin)
50022107	13	ChEMBL_2484552	Inhibition of HDAC1 (unknown origin)
50022107	14	ChEMBL_2484553	Inhibition of PDE5A1 (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50022107	15	ChEMBL_2484554	Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by Ellman's method
50022107	16	ChEMBL_2484555	Inhibition of PDE7A (unknown origin)
50022107	17	ChEMBL_2484556	Inhibition of PDE7B (unknown origin)
50022107	18	ChEMBL_2484557	Inhibition of GSK3alpha (unknown origin)
50022107	19	ChEMBL_2484558	Inhibition of PDE9A (unknown origin)
50022107	20	ChEMBL_2484559	Binding affinity to PDE9A (unknown origin) using [3H]cAMP as substrate assessed as inhibition constant incubated for 1 hr by SPR assay
50022107	21	ChEMBL_2484560	Inhibition of PDE10A (unknown origin)
50022107	22	ChEMBL_2484561	Inhibition of his-tagged recombinant human PDE10A catalytic domain extracted from Escherichia coli BL21(DE3) using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022107	23	ChEMBL_2484562	Inhibition of N-terminal GST-tagged human recombinant PDE11A4 (1 to 943 residues) extracted from Sf9 insect cells using cAMP as substrate pre-incubated with compound for 1 hr followed by substrate addition and measured after 10 mins by liquid scintillation counter analysis
50022108	1	ChEMBL_2484563	Inhibition of human recombinant catalytic domain TTBK1 (1 to 415 residues) extracted from Escherichia coli BL21 (DE3) incubated for 1 hr by spectrophotometric analysis
50022108	2	ChEMBL_2484564	Inhibition of TTBK2 (unknown origin)
50022109	1	ChEMBL_2484576	Binding affinity to MDM2 (unknown origin) (25 to 109 residues) assessed as inhibition constant by fluorescence polarization assay
50022109	2	ChEMBL_2484577	Binding affinity to MDMX (unknown origin) (24 to 108 residues) assessed as inhibition constant by fluorescence polarization assay
50022110	1	ChEMBL_2484584	Partial agonist activity at N-terminal Gal4-fused human PPARgamma LBD transfected in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase based luminometric assay
50022110	2	ChEMBL_2484585	Partial agonist activity at N-terminal Gal4-fused human PPARalpha LBD transfected in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase based luminometric assay
50022110	3	ChEMBL_2484586	Partial agonist activity at N-terminal Gal4-fused human PPARdelta LBD transfected in human HepG2 cells assessed as receptor transactivation incubated for 20 hrs by luciferase based luminometric assay
50022111	1	ChEMBL_2484719	Inhibition of EGFR (unknown origin) by ADP-Glo reagent based assay
50022111	2	ChEMBL_2484720	Inhibition of HER-2 (unknown origin)
50022112	1	ChEMBL_2484734	Inhibition of CXCR4 receptor (unknown origin)
50022115	1	ChEMBL_2484800	Inhibition of recombinant human wildtype IDH1 extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by absorbance based assay
50022115	2	ChEMBL_2484806	Inhibition of recombinant human IDH1 R132H mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by absorbance based assay
50022115	3	ChEMBL_2484807	Inhibition of recombinant human IDH1 R132C mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by absorbance based assay
50022115	4	ChEMBL_2484809	Inhibition of IDH1 R132C mutant in human HT-1080 cells assessed as reduction in 2-HG level incubated for 48 hrs in presence of NAD+ by resazurin fluorescence dye based Sigma MAK320-1 assay kit analysis
50022115	5	ChEMBL_2484810	Inhibition of IDH1 R132H mutant in human U-87 MG cells assessed as reduction in 2-HG level incubated for 48 hrs in presence of NAD+ by resazurin fluorescence dye based Sigma MAK320-1 assay kit analysis
50022115	6	ChEMBL_2484870	Inhibition of Sterp-II tagged recombinant human full length IDH1 R132H mutant extracted from Escherichia coli using alpha-ketoglutarate as substrate assessed as reduction in 2-HG level incubated for 90 mins by fluorescent reader
50022115	7	ChEMBL_2484871	Inhibition of Sterp-II tagged recombinant human full length IDH1 R132C mutant extracted from Escherichia coli using alpha-ketoglutarate as substrate assessed as reduction in 2-HG level incubated for 90 mins by fluorescent reader
50022115	8	ChEMBL_2484872	Inhibition of N-terminal Strep tagged/TEC fused human IDH1 R132H mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate assessed as reduction in 2-HG levels preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50022115	9	ChEMBL_2484873	Inhibition of N-terminal Strep tagged/TEC fused human IDH1 R132C mutant extracted from Escherichia coli BL21 (DE3) cells using alpha-ketoglutarate as substrate assessed as reduction in 2-HG levels preincubated for 30 mins in presence of NADPH followed by substrate addition by LC-MS/MS analysis
50022115	10	ChEMBL_2484874	Inhibition of IDH1 R132H mutant (unknown origin)
50022115	11	ChEMBL_2484875	Inhibition of IDH1 R132C mutant (unknown origin)
50022115	12	ChEMBL_2484876	Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hrs by kinase-Glo detection reagent based luminescence reader
50022116	1	ChEMBL_2484947	Inhibition of HIV-1 reverse transcriptase
50022117	1	ChEMBL_2484956	Activation of GLP-1R (unknown origin)
50022117	2	ChEMBL_2484959	Inhibition of alpha-amylase (unknown origin)
50022118	1	ChEMBL_2485025	Inhibition of Influenza A virus N-terminal Polymerase acidic protein endonuclease activity in HEK293T cells transfected with IAV RNA polymerase complex and firefly/renilla luciferase reporter by fluorescence based Dual-Glo luciferase assay
50022119	1	ChEMBL_2485226	Positive allosteric modulation of synaptic alpha1beta2gamma2 GABA-A receptor (unknown origin) transfected in LTK cells assessed as potentiation of GABA-induced peak current amplitude at -80 mV holding potential preincubated for 30 secs followed by GABA stimulation for 2 secs by Q-patch assay
50022119	2	ChEMBL_2485271	Positive allosteric modulation of extrasynaptic alpha4beta3delta GABA-A receptor (unknown origin) transfected in CHO cells assessed as potentiation of GABA-induced peak current amplitude at -80 mV holding potential preincubated for 30 secs followed by GABA stimulation for 2 secs by manual patch assay
50022120	1	ChEMBL_2485286	Displacement of [3H]-U69,693 from kappa opioid receptor (unknown origin) assessed as inhibition constant by radioligand binding assay
50022121	1	ChEMBL_2485437	Inhibition of Escherichia coli DNA gyrase using pBR322 DNA as substrate incubated for 30 mins by electrophoresis
50022122	1	ChEMBL_2485488	Displacement of [3H] DAMGO from rat mu-opioid receptor extracted from CHO cell membrane assessed as inhibition constant by liquid scintillation counting analysis
50022122	2	ChEMBL_2485489	Displacement of [3H] U69593 from human kappa-opioid receptor extracted from CHO cell membrane assessed as inhibition constant by liquid scintillation counting analysis
50022122	3	ChEMBL_2485490	Displacement of [3H] DPDPE from rat delta-opioid receptor extracted from CHO cell membrane assessed as inhibition constant by liquid scintillation counting analysis
50022122	4	ChEMBL_2485516	Binding affinity to human mu-opioid receptor extracted from CHO cell membrane assessed as inhibition constant incubated for 60 mins in presence of [3H]DAMGO by radioligand binding assay
50022122	5	ChEMBL_2485517	Binding affinity to human kappa-opioid receptor extracted from CHO cell membrane assessed as inhibition constant incubated for 60 mins in presence of [3H]U69593 by radioligand binding assay
50022123	1	ChEMBL_2485584	Inhibition of recombinant wild-type HIV-1 reverse transcriptase incubated for 40 mins by fluorescence based assay
50022124	1	ChEMBL_2485617	Inhibition of recombinant GST-tagged CDK7/CycH/MAT1 (unknown origin) extracted from baculo-virus infected Sf9 insect cells assessed as inhibition constant using ATP containing 32P measured after 15 mins by Beckman liquid scintillation counter analysis
50022124	2	ChEMBL_2485619	Inhibition of CDK7/CycH/MAT1 (unknown origin)
50022124	3	ChEMBL_2485620	Inhibition of CDK7/CycH/MNAT1 (unknown origin) assessed as change in TR-FRET ratio using Cdk7/9tide as substrate and ATP by in vitro Adapta Eu kinase assay
50022125	1	ChEMBL_2485694	Inhibition of electric eel AChE using acetylthiocholine as substrate by Ellman's method
50022125	2	ChEMBL_2485695	Inhibition of equine serum BChE using butyrylthiocholine as substrate by Ellman's method
50022126	1	ChEMBL_2485772	Inhibition of PI3K-alpha (unknown origin)
50022126	2	ChEMBL_2485778	Inhibition of mTOR (unknown origin)
50022126	3	ChEMBL_2485780	Inhibition of EGFR (unknown origin)
50022126	4	ChEMBL_2485781	Inhibition of HER2 (unknown origin)
50022126	5	ChEMBL_2485786	Inhibition of EGFR (unknown origin) by ELISA
50022126	6	ChEMBL_2485787	Inhibition of EGFR (unknown origin) using Poly (Glu, Tyr) as substrate incubated for 40 mins in presence of ATP by Kinase-Glo Plus luminescence kinase assay
50022126	7	ChEMBL_2485789	Inhibition of FAK (unknown origin) by FRET assay
50022126	8	ChEMBL_2485791	Inhibition of human CA-IX
50022126	9	ChEMBL_2485792	Inhibition of recombinant human CA-IX by stopped-flow CO2 hydrase assay
50022126	10	ChEMBL_2485798	Inhibition of MMP-2 (unknown origin) by fluorometric assay
50022126	11	ChEMBL_2485799	Inhibition of MMP-7 (unknown origin)
50022126	12	ChEMBL_2485800	Inhibition of MMP-9 (unknown origin) by colorimetric assay
50022126	13	ChEMBL_2485801	Inhibition of MMP-10 (unknown origin)
50022126	14	ChEMBL_2485802	Inhibition of MMP-13 (unknown origin)
50022127	1	ChEMBL_2485865	Binding affinity to butyrophilin 3A1 (unknown origin) intracellular domain assessed as dissociation constant by ITC analysis
50022128	1	ChEMBL_2485930	Inhibition of human PD-1 to PD-L1 protein-protein interaction by homogeneous-time resolved fluorescence assay
50022128	2	ChEMBL_2485932	Binding affinity to recombinant human PD-L1 expressed in HEK293 cells by MST assay
50022129	1	ChEMBL_2485984	Inverse agonist activity at Pseudomonas aeruginosa PqsR extracted from Escherichia coli Dh5alpha co-expressing lacZ incubated with test compound in presence of pseudomonas quinolone signal (PQS) by ONPG/heterologous reporter gene assay
50022130	1	ChEMBL_2486004	Inhibition of human recombinant HDAC8 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	2	ChEMBL_2486008	Inhibition of human recombinant HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	3	ChEMBL_2486009	Inhibition of human recombinant HDAC2 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	4	ChEMBL_2486010	Inhibition of human recombinant HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	5	ChEMBL_2486012	Inhibition of human recombinant HDAC4 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	6	ChEMBL_2486013	Inhibition of human recombinant HDAC5 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	7	ChEMBL_2486014	Inhibition of human recombinant HDAC6 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	8	ChEMBL_2486015	Inhibition of human recombinant HDAC7 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	9	ChEMBL_2486016	Inhibition of human recombinant HDAC9 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	10	ChEMBL_2486017	Inhibition of human recombinant HDAC11 preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	11	ChEMBL_2486023	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 120 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	12	ChEMBL_2486024	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 90 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	13	ChEMBL_2486025	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 60 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	14	ChEMBL_2486026	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 30 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	15	ChEMBL_2486027	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 15 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	16	ChEMBL_2486028	Time dependent inhibition of recombinant human HDAC1 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated with compound followed by substrate addition by fluorescence assay
50022130	17	ChEMBL_2486029	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 120 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	18	ChEMBL_2486030	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 90 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	19	ChEMBL_2486031	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 60 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	20	ChEMBL_2486032	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 30 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	21	ChEMBL_2486033	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated for 15 min followed by substrate addition and measured after 2 hrs by fluorescence assay
50022130	22	ChEMBL_2486034	Time dependent inhibition of recombinant human HDAC3 using Boc-Lys (acetyl)-AMC as flurogenic substrate preincubated with compound followed by substrate addition by fluorescence assay
50022131	1	ChEMBL_2486123	Inhibition of EGFR in human A549 cells incubated for 24 hrs by ELISA
50022131	2	ChEMBL_2486124	Inhibition of Akt in human A549 cells incubated for 24 hrs by ELISA
50022132	1	ChEMBL_2486126	Displacement of 125I-CXCL12 from CXCR4 in human CCRF-CEM cells measured after 1 hr by competitive binding assay
50022132	2	ChEMBL_2486128	Binding affinity to CXCR7 (unknown origin) overexpressing human MCF7 cells by flow cytometry analysis
50022133	1	ChEMBL_2486142	Inhibition of recombinant human SIRT3 using Fluor de lys as substrate incubated for 30 mins by fluorescence based analysis
50022133	2	ChEMBL_2486146	Inhibition of N-terminal recombinant his-tagged human SIRT1 expressed in Escherichia coli using Fluor de lys as substrate incubated for 30 mins by fluorescence based analysis
50022133	3	ChEMBL_2486147	Inhibition of recombinant human SIRT2 using Fluor de lys as substrate incubated for 30 mins by fluorescence based analysis
50022133	4	ChEMBL_2486248	Inhibition of wild type C-terminal human SIRT3 (118 to 339 residues) expressed in Escherichia coli strain BL21DE3 Rosetta2 using Fluor de lys as substrate incubated for 30 mins by fluorescence based analysis
50022133	5	ChEMBL_2486249	Inhibition of SIRT1 (unknown origin)
50022133	6	ChEMBL_2486250	Inhibition of SIRT2 (unknown origin)
50022134	1	ChEMBL_2486251	Displacement of [125I]MCH from human MCHR1 extracted from HEK293 cell membrane assessed as inhibition constant by competitive binding assay
50022134	2	ChEMBL_2486252	Displacement of [125I]MCH from rat MCHR1 extracted from HEK293 cell membrane assessed as inhibition constant by competitive binding assay
50022135	1	ChEMBL_2486314	Inhibition of Mycobacterium tuberculosis DNA gyrase using supercoiled pBR322 DNA as substrate incubated for 30 mins by gel based method
50022135	2	ChEMBL_2486316	Inhibition of Escherichia coli DNA gyrase using relaxed pNO1 as substrate measured after 30 mins by SybrGOLD staining based fluorescence microplate reader analysis
50022135	3	ChEMBL_2486319	Inhibition of human DNA topoisomerase II alpha using supercoiled pNO1 plasmid as substrate incubated for 30 mins by diamond dye staining based fluorescence microplate reader assay
50022136	1	ChEMBL_2486400	Inhibition of purified recombinant human HDAC1 assessed as inhibition constant using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC as substrate measured after 90 mins by fluorescence microplate reader
50022136	2	ChEMBL_2486403	Inhibition of purified recombinant human HDAC2 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorogenic peptide as substrate measured after 90 mins by fluorescence assay
50022136	3	ChEMBL_2486404	Inhibition of purified recombinant human HDAC3 assessed as inhibition constant using fluorogenic substrate ZMAL (Z-Lys(Ac)-AMC as substrate measured after 90 mins by fluorescence microplate reader
50022136	4	ChEMBL_2486405	Inhibition of purified recombinant human HDAC6 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorogenic peptide as substrate measured after 90 mins by fluorescence assay
50022136	5	ChEMBL_2486406	Inhibition of purified recombinant human HDAC8 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorogenic peptide as substrate measured after 90 mins by fluorescence assay
50022136	6	ChEMBL_2486407	Inhibition of purified recombinant human HDAC10 assessed as inhibition constant using residues 379-382 (RHKK(Ac)AMC) fluorogenic substrate p53 fluorogenic peptide as substrate measured after 90 mins by fluorescence assay
50022137	1	ChEMBL_2486417	Inhibition of human FABP1 incubated for 3 mins by fluorescence based analysis
50022137	2	ChEMBL_2486418	Inhibition of FABP4 (unknown origin) incubated for 3 mins by fluorescence based analysis
50022138	1	ChEMBL_2486531	Agonist activity at human TLR7 expressed in HEK-Blue hTLR7 cells harboring SEAP reporter gene incubated for 18 hrs by quanti-blue reagent based assay
50022138	2	ChEMBL_2486532	Agonist activity at human TLR8 expressed in HEK-Blue hTLR8 cells harboring SEAP reporter gene incubated for 18 hrs by quanti-blue reagent based assay
50022139	1	ChEMBL_2486533	Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by FRET assay
50022139	2	ChEMBL_2486535	Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 60 mins in absence of GSH followed by substrate addition and measured after 30 mins by FRET assay
50022139	3	ChEMBL_2486536	Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 60 mins in presence of GSH followed by substrate addition and measured after 30 mins by FRET assay
50022139	4	ChEMBL_2486538	Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 1 hrs in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay
50022139	5	ChEMBL_2486542	Inhibition of hCoV-229E 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated 1 hr in presence of 2 mM GSH followed by substrate addition and measured after 30 mins by FRET assay
50022139	6	ChEMBL_2486544	Inhibition of human calpain 1 using (DABCYL)-TPLKSPPPSPR-(EDANS) as substrate incubated for 30 mins in presence of calcium ions and GSH and measured after 30 mins by fluorescence based assay
50022140	1	ChEMBL_2486561	Inhibition of Tdp1 (unknown origin) using 5'-[FAM]AACGTCAGGGTCTTCC[BHQ1]-3' as substrate measured every 55 sec by fluorescence based analysis
50022141	1	ChEMBL_2486692	Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing halide-sensitive yellow fluorescent protein assessed as increase in iodide influx preincubated with compound for 24 hrs followed by compound washout and measured after 30 mins of stimulation with forskolin/genistein by fluorescence microplate reader
50022141	2	ChEMBL_2486693	Corrector activity at CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing halide-sensitive yellow fluorescent protein assessed as increase in iodide influx preincubated with compound for 24 hrs in presence of VX-809 followed by compound washout and measured after 30 mins of stimulation with forskolin/genistein by fluorescence microplate reader
50022142	1	ChEMBL_2486698	Binding affinity to GST tagged PPARgamma LBD (unknown origin) preincubated in shaker for 30 sec followed by incubation for additional 4 hrs at room temperature by LanthaScreen TR-FRET competitive binding assay
50022143	1	ChEMBL_2486759	Inhibition of CDKL2 (unknown origin) by radiometric assay
50022143	2	ChEMBL_2486760	Displacement of tracer K10 from N-terminal NLuc-fused full-length CDKL2 (unknown origin) expressed in HEK293 cells by NanoBRET assay
50022143	3	ChEMBL_2486771	Inhibition of BMP2K (unknown origin) by radiometric assay
50022143	4	ChEMBL_2486772	Inhibition of PIP5K1A (unknown origin) by radiometric assay
50022143	5	ChEMBL_2486773	Inhibition of GRK4 (unknown origin) by radiometric assay
50022143	6	ChEMBL_2486774	Inhibition of PRP4 (unknown origin) by radiometric assay
50022143	7	ChEMBL_2486775	Inhibition of SRPK3 (unknown origin) by radiometric assay
50022143	8	ChEMBL_2486776	Inhibition of SRPK1 (unknown origin) by radiometric assay
50022143	9	ChEMBL_2486777	Inhibition of MEK5 (unknown origin) by radiometric assay
50022143	10	ChEMBL_2486779	Inhibition of AAK1 (unknown origin) by radiometric assay
50022143	11	ChEMBL_2486780	Displacement of tracer K10 from N-terminal NLuc-fused BMP2K (1 to 367 residues)(unknown origin) expressed in HEK293 cells by NanoBRET assay
50022143	12	ChEMBL_2486781	Displacement of tracer K10 from N-terminal NLuc-fused AAK1 (1 to 353 residues)(unknown origin) expressed in HEK293 cells by NanoBRET assay
50022143	13	ChEMBL_2486787	Inhibition of FLAG-tagged full-length recombinant wild-type human CDKL1 expressed in HeLa cells using MBP as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50022143	14	ChEMBL_2486788	Inhibition of FLAG-tagged full-length recombinant wild-type human CDKL2 expressed in HeLa cells using MBP as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50022143	15	ChEMBL_2486789	Inhibition of FLAG-tagged full-length recombinant wild-type human CDKL3 expressed in HeLa cells using MBP as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50022143	16	ChEMBL_2486790	Inhibition of FLAG-tagged full-length recombinant wild-type human CDKL4 expressed in HeLa cells using MBP as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50022143	17	ChEMBL_2486791	Inhibition of FLAG-tagged full-length recombinant wild-type human CDKL5 expressed in HeLa cells using MBP as substrate incubated for 30 mins in presence of ATP by ADP-Glo assay
50022144	1	ChEMBL_2486813	Inhibition of GDP bound KRAS G12V mutant (unknown origin)
50022145	1	ChEMBL_2486831	Binding affinity to recombinant hexa-His tagged human SR extracted from Escherichia coli BL21 CodonPlusR (DE3)-RIL cells assessed as dissociation constant by absorption spectroscopy analysis
50022145	2	ChEMBL_2486832	Inhibition of recombinant hexa-His tagged human SR extracted from Escherichia coli BL21 CodonPlusR (DE3)-RIL cells preincubated with compound followed by L-serine addition and measured after 10 mins in presence of PLP
50022145	3	ChEMBL_2486833	Inhibition of recombinant hexa-His tagged human SR extracted from Escherichia coli BL21 CodonPlusR (DE3)-RIL cells preincubated with compound followed by L-serine addition and measured after 10 mins
50022145	4	ChEMBL_2486835	Inhibition of human PSAT extracted from Escherichia coli BL21(DE3) cells preincubated with compound followed by L-OPS addition in presence of PLP
50022145	5	ChEMBL_2486836	Inhibition of human SR extracted from Escherichia coli assessed as beta-eliminase activity using L-Ser as substrate by spectrophotometer assay
50022145	6	ChEMBL_2486837	Inhibition of recombinant human SR incubated for 30 mins by chemiluminescence based luminometer assay
50022145	7	ChEMBL_2486839	Inhibition of mouse SR using L-Serine as substrate incubated for 2 hrs in presence of PLP by spectrophotometer assay
50022146	1	ChEMBL_2486841	Inhibition of NLRP3 dependent pyroptosis in human THP-1 cells preincubated with compound for 3 hrs followed by nigericin addition and measured after 1 hrs by resazurin dye based assay
50022148	1	ChEMBL_2486844	Inhibition of recombinant His tagged human KHK-C incubated for 60 mins in presence of ATP by ADP-GloTM kinase assay
50022151	1	ChEMBL_2486845	Inhibition of human DGAT2 expressed in expressed in baculovirus infected Sf9 insect cells by immunoblotting analysis
50022152	1	ChEMBL_2486950	Binding affinity to recombinant human HSP90alpha by SPR assay
50022153	1	ChEMBL_2487123	Antagonist activity at human glucocorticoid receptor transfected in CHO cells cotransfected with genetic response element-luciferase reporter gene assessed as inhibition of agonist-induced response incubated for 22 to 24 hrs by luciferase detection reagent based assay
50022153	2	ChEMBL_2487126	Antagonist activity at human glucocorticoid receptor transfected in HEK293 cells cotransfected with genetic response element-luciferase reporter gene assessed as inhibition of dexamethasone-induced response incubated for 22 hrs by luciferase detection reagent based assay
50022153	3	ChEMBL_2487128	Antagonist activity at full length glucocorticoid receptor (unknown origin) assessed as inhibition of Fluormone GS Red binding to receptor incubated 2 hrs by fluorescence polarization assay
50022153	4	ChEMBL_2487133	Antagonist activity at human PGR transfected in HEK293 cells cotransfected with genetic response element-luciferase reporter gene assessed as inhibition of progesterone-induced response incubated for 22 hrs by luciferase detection reagent based assay
50022153	5	ChEMBL_2487135	Antagonist activity at human androgen receptor transfected in African green monkey CV-1 cells cotransfected with genetic response element-luciferase reporter gene assessed as inhibition of 5alpha-dihydro-11-keto testosterone induced response incubated for 22 hrs by luciferase detection reagent based assay
50022154	1	ChEMBL_2487192	Inhibition of recombinant C-terminal GST-tagged PRMT1 (unknown origin)
50022154	2	ChEMBL_2487193	Inhibition of GST-tagged PRMT1 (unknown origin) extracted from Escherichia coli BL21 incubated for 30 mins by liquid scintillation method
50022154	3	ChEMBL_2487194	Inhibition of human recombinant His-tagged PRMT1 extracted from Escherichia coli incubated for 1 hr by Bradford assay
50022154	4	ChEMBL_2487195	Inhibition of PRMT1 (unknown origin) incubated for 30 mins by AlphaLISA assay
50022154	5	ChEMBL_2487196	Inhibition of PRMT1 (unknown origin) by scintillation proximity assay
50022154	6	ChEMBL_2487197	Inhibition of PRMT1 (unknown origin) by fluorescence based analysis
50022154	7	ChEMBL_2487198	Inhibition of N-terminal His-tagged human PRMT1 (22 to 361 residues)
50022154	8	ChEMBL_2487199	Inhibition of PRMT1 (unknown origin) using Histone H4 as substrate incubated for 1 hr by fluorescence based analysis
50022154	9	ChEMBL_2487200	Inhibition of 6His-tagged human recombinant PRMT1 using Histone H4 as substrate
50022154	10	ChEMBL_2487201	Inhibition of human PRMT1 using [3H]methylated biotin-labeled peptide as substrate by scintillation proximity assay
50022154	11	ChEMBL_2487202	Inhibition of PRMT1 (unknown origin)
50022154	12	ChEMBL_2487203	Inhibition of Histidine-tagged human recombinant PRMT1
50022154	13	ChEMBL_2487204	Inhibition of N-terminal hexa-histidine tagged human recombinant PRMT1 extracted from Escherichia coli BL21 (DE3) incubated for 1 hrs by scintillation proximity assay
50022154	14	ChEMBL_2487205	Inhibition of PRMT1 (unknown origin) using Histone H4 as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50022155	1	ChEMBL_2487219	Binding affinity to His6 tagged Clostridioides difficile Toxin B truncated cysteine protease domain (543 to 799 residues) extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC method
50022155	2	ChEMBL_2487220	Binding affinity to His6 tagged Clostridioides difficile Toxin B truncated cysteine protease domain (543 to 799 residues) extracted from Escherichia coli BL21 (DE3) assessed as dissociation constant in presence of 10 mM Ca2+ by ITC method
50022155	3	ChEMBL_2487221	Allosteric activation of Clostridioides difficile Toxin B assessed as induction of autoproteolysis measured after 3 hrs by Western blot based extent cleavage assay
50022155	4	ChEMBL_2487222	Allosteric activation of Clostridioides difficile Toxin B assessed as induction of autoproteolysis measured after 3 hrs in presence of CaCl2, MgCl2, ZnCl2 by Western blot based extent cleavage assay
50022156	1	ChEMBL_2487299	Inhibition of C-terminal 6His/FLAG tagged full length human recombinant HDAC1 (1 to 482 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as substrate measured after 90 mins by fluorescence based microplate reader analysis
50022156	2	ChEMBL_2487300	Inhibition of N-terminal GST tagged full length human recombinant HDAC6 (1 to 1215 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as substrate measured after 90 mins by fluorescence based microplate reader analysis
50022156	3	ChEMBL_2487301	Inhibition of C-terminal 6His/FLAG tagged full length human recombinant HDAC1 (1 to 482 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as substrate preincubated for 60 mins followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50022156	4	ChEMBL_2487308	Inhibition of human recombinant MAO-B using para-tyramine as substrate by Amplex Red fluorimetric assay
50022156	5	ChEMBL_2487310	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DNTB reagent based Ellman's method
50022156	6	ChEMBL_2487312	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured after 5 mins by DNTB reagent based Ellman's method
50022156	7	ChEMBL_2487314	Displacement of [3H]-LSD from human 5-HT6 receptor extracted from CHO-K1 cell membrane assessed as inhibition constant incubated for 1 hr by Microbeta plate reader analysis
50022156	8	ChEMBL_2487316	Inhibition of C-terminal FLAG-tagged full length human recombinant HDAC2 (1 to 488 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50022156	9	ChEMBL_2487318	Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GDT tagged human NCOR2 (395 to 489 residues) extracted from baculovirus infected Sf9 insect cells preincubated for 1 hr followed by substrate addition and measured after 90 mins by fluorescence based microplate reader analysis
50022157	1	ChEMBL_2487341	Agonist activity at human RXR alpha transfected in HEK293T cells assessed as transfection efficiency incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50022157	2	ChEMBL_2487342	Agonist activity at human RXR gamma transfected in HEK293T cells assessed as transfection efficiency incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50022157	3	ChEMBL_2487343	Agonist activity at human RXR beta transfected in HEK293T cells assessed as transfection efficiency incubated for 16 hrs by Gal4-hybrid reporter gene based Dual-glo luciferase assay
50022157	4	ChEMBL_2487375	Agonist activity at RXRalpha (unknown origin)
50022157	5	ChEMBL_2487376	Agonist activity at RXRbeta (unknown origin)
50022157	6	ChEMBL_2487377	Agonist activity at RXRgamma (unknown origin)
50022158	1	ChEMBL_2487378	Binding affinity to recombinant RIPK1 (unknown origin) assessed as dissociation constant by KINOMEscan assay
50022159	1	ChEMBL_2487464	Binding affinity to recombinant human 15N-labeled SHIP2 Sam domain (1194 to 1258 residues) extracted from Escherichia coli BL21 (DE3) cells assessed as dissociation constant by NMR spectroscopy
50022159	2	ChEMBL_2487465	Binding affinity to recombinant human 15N-labeled SHIP2 Sam domain (1194 to 1258 residues) extracted from Escherichia coli BL21 (DE3) cells assessed as chemical shift perturbation for binding site W50 residue by measuring dissociation constant by NMR spectroscopy
50022159	3	ChEMBL_2487466	Binding affinity to biotinylated streptavidin-coated biosensor immobilized recombinant human 15N-labeled SHIP2 Sam domain (1194 to 1258 residues) extracted from Escherichia coli BL21 (DE3) cells assessed as dissociation constant by biolayer interferometry
50022159	4	ChEMBL_2487484	Binding affinity to CM5 sensor chip immobilized N-terminal His tagged human SHIP2 Sam domain (1194 to 1258 residues) extracted from Escherichia coli BL21 (DE3) cells assessed as dissociation constant by SPR analysis
50022160	1	ChEMBL_2487593	Inhibition of HDAC1 (unknown origin)
50022160	2	ChEMBL_2487594	Inhibition of HDAC6 (unknown origin)
50022160	3	ChEMBL_2487595	Inhibition of DNMT1 (unknown origin)
50022160	4	ChEMBL_2487596	Inhibition of DNMT3A (unknown origin)
50022160	5	ChEMBL_2487597	Inhibition of DNMT3B (unknown origin)
50022160	6	ChEMBL_2487598	Inhibition of HDAC extracted from human HeLa cell nucleus using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	7	ChEMBL_2487605	Inhibition of NLuc-fused DNMT1 expressed hypomorphic in human HCT-116 cells assessed as TSG repoter activation at 3 uM incubated for 72 hrs by Nano-Glo Luciferase assay
50022160	8	ChEMBL_2487607	Inhibition of HDAC1 (unknown origin) using Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	9	ChEMBL_2487608	Inhibition of HDAC2 (unknown origin) using Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	10	ChEMBL_2487609	Inhibition of HDAC3 (unknown origin) using Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	11	ChEMBL_2487610	Inhibition of HDAC8 (unknown origin) using Boc-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	12	ChEMBL_2487611	Inhibition of HDAC4 (unknown origin) using Leu-Gly-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	13	ChEMBL_2487612	Inhibition of HDAC5 (unknown origin) using Leu-Gly-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	14	ChEMBL_2487613	Inhibition of HDAC7 (unknown origin) using Leu-Gly-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	15	ChEMBL_2487614	Inhibition of HDAC9 (unknown origin) using Leu-Gly-Lys(TFA)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	16	ChEMBL_2487615	Inhibition of HDAC6 (unknown origin) using Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022160	17	ChEMBL_2487616	Inhibition of HDAC11 (unknown origin) using Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022161	1	ChEMBL_2487727	Binding affinity to avi-tagged HO-1 (unknown origin) assessed as dissociation constant by SPR analysis
50022161	2	ChEMBL_2487728	Binding affinity to avi-tagged HO-2 (unknown origin) assessed as dissociation constant by SPR analysis
50022162	1	ChEMBL_2487730	Inhibition of HIV-1 integrase catalytic activity incubated for 1 hrs in absence of LEDGF/p75 by HTRF assay
50022162	2	ChEMBL_2487731	Inhibition of HIV1 integrase activity by measuring multimerization of His-tagged integrase/FLAG-tagged integrase incubated for 3 hrs by fluorescence quenching based HTRF assay
50022163	1	ChEMBL_2487741	Inhibition of METTL3/METTL14 (unknown origin) by MTase-Glo assay
50022163	2	ChEMBL_2487742	Inhibition of human recombinant METTL3/METTL14 extracted from baculovirus infected Hi-5 cells using SAM and 5'-ACGAGUCCUGGACUGAAACGGACUUGU-3' as substrates incubated for 1 hr by MTase-Glo bioluminescence assay
50022163	3	ChEMBL_2487743	Inhibition of METTL3/METTL14 (unknown origin) by FRET assay
50022163	4	ChEMBL_2487744	Inhibition of METTL3/METTL14 (unknown origin) using SAM and 5'-GGACUGGACUGGACUGGACU-3' as substrates incubated for 2 hrs by LC-MS/MS analysis
50022163	5	ChEMBL_2487745	Inhibition of recombinant METTL3/METTL14 (unknown origin) extracted from baculovirus infected Sf9 cells by HTRF assay
50022163	6	ChEMBL_2487746	Inhibition of recombinant METTL3/METTL14 (unknown origin) by HTRF assay
50022163	7	ChEMBL_2487747	Inhibition of recombinant METTL3/METTL14 (unknown origin) by radioactivity based assay
50022163	8	ChEMBL_2487748	Inhibition of recombinant METTL3/METTL14 (unknown origin) by RapidFire mass spectrometry
50022164	1	ChEMBL_2487772	Inhibition of MK2 (unknown origin) using ST3-Sox peptide as substrate measured for 120 mins in presence of ATP by Synergy H4 plate reader analysis
50022165	1	ChEMBL_2487773	Inhibition of N-terminal 6His-SUMO tagged human cGAS (1 to 522 residues) extracted from Escherichia coli BL21(DE3)pLysS cells using GTP/ATP as substrate by measuring cGAMP production incubated for 90 mins in presence of 45 base pair DNA by mass spectrometric analysis
50022165	2	ChEMBL_2487774	Inhibition of cGAS in human THP-1 cells expressed in baculovirus infected insect cells incubated for 18 hrs by Lucia luciferase reporter assay
50022165	3	ChEMBL_2487775	Inhibition of cGAS in human THP-1 cells using cGAMP as substrate incubated for 18 hrs by Lucia luciferase reporter based counter assay
50022165	4	ChEMBL_2487776	Inhibition of cGAS in dsDNA stimulated human Whole blood cell by measuring IFNalpha-2a production incubated for 60 mins followed by addition of double stranded DNA measured after 1350 mins by microplate reader assay
50022166	1	ChEMBL_2487778	Inhibition of porcine pancreas alpha-amylase using starch as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by DNS reagent based colorimetric assay
50022166	2	ChEMBL_2487780	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated with substrate for 5 mins followed by enzyme addition and measured after 15 mins
50022166	3	ChEMBL_2487782	Inhibition of alpha-amylase (unknown origin)
50022166	4	ChEMBL_2487784	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrobenzene alpha-glucopyranoside as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins
50022166	5	ChEMBL_2487787	Non-competitive inhibition of porcine pancreas alpha-amylase
50022166	6	ChEMBL_2487788	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase
50022168	1	ChEMBL_2487790	Inhibition of N-terminal His6-tagged recombinant Bfl-1 (1 to 151 residues)(unknown origin) extracted from Escherichia coli BL21-Gold (DE3) using HyLite Fluor 647-labeled Bim peptide as substrate incubated for 120 mins by TR-FRET assay
50022168	2	ChEMBL_2487793	Inhibition of Bfl-1 in human SU-DHL-1 cells assessed as caspase-3/7 activation measured after 6 hrs by UPLC-MRM MS analysis
50022168	3	ChEMBL_2487794	Inhibition of Bcl-xl (unknown origin)
50022168	4	ChEMBL_2487795	Inhibition of Bcl-2 (unknown origin)
50022168	5	ChEMBL_2487796	Inhibition of Mcl-1 (unknown origin)
50022169	1	ChEMBL_2487810	Inhibition of sEH in C57BL/6J mouse brain homogenate using 14, 15-EET as substrate preincubated for 10 mins followed by substrate addition by UPLC-MS/MS analysis
50022170	1	ChEMBL_2487887	Inhibition of human PRMT4 using histone H3 as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	2	ChEMBL_2487889	Inhibition of human PRMT1 using Histone H4 as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	3	ChEMBL_2487890	Inhibition of human PRMT5/MEP50 using Histone H2 as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	4	ChEMBL_2487891	Inhibition of human PRMT3 using Histone H3 as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	5	ChEMBL_2487892	Inhibition of PRMT6 (unknown origin)
50022170	6	ChEMBL_2487893	Inhibition of human PRMT7 using GST-GAR as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	7	ChEMBL_2487894	Inhibition of human PRMT8 using Histone H4 as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	8	ChEMBL_2487902	Binding affinity to PRMT4 (140 to 480 residues) (unknown origin) assessed as dissociation constant by ITC method
50022170	9	ChEMBL_2487903	Inhibition of human NSD2 using nucleosomes as substrate and SAM as cofactor by radiometric HotSpot assay
50022170	10	ChEMBL_2487909	Inhibition of PRMT4 in human MDA-MB-231 cells assessed as decrease in BAF155 methylation level incubated for 24 hrs by Western blot analysis
50022170	11	ChEMBL_2487910	Inhibition of PRMT4 in human MDA-MB-231 cells assessed as decrease in PABP1 methylation level incubated for 24 hrs by Western blot analysis
50022170	12	ChEMBL_2487911	Inhibition of PRMT4 in human MDA-MB-231 cells assessed as decrease in BAF155 methylation level incubated for 48 hrs by Western blot analysis
50022170	13	ChEMBL_2487912	Inhibition of PRMT4 in human MDA-MB-231 cells assessed as decrease in PABP1 methylation level incubated for 48 hrs by Western blot analysis
50022170	14	ChEMBL_2487922	Inhibition of PRMT1 (unknown origin)
50022170	15	ChEMBL_2487923	Inhibition of PRMT3 (unknown origin)
50022170	16	ChEMBL_2487924	Inhibition of PRMT4 (unknown origin)
50022170	17	ChEMBL_2487925	Inhibition of PRMT5 (unknown origin)
50022170	18	ChEMBL_2487926	Inhibition of PRMT7 (unknown origin)
50022170	19	ChEMBL_2487927	Inhibition of PRMT8 (unknown origin)
50022170	20	ChEMBL_2487928	Inhibition of PRMT1 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	21	ChEMBL_2487929	Inhibition of PRMT3 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	22	ChEMBL_2487930	Inhibition of PRMT4 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	23	ChEMBL_2487931	Inhibition of PRMT5/MEP50 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	24	ChEMBL_2487932	Inhibition of PRMT6 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	25	ChEMBL_2487933	Inhibition of PRMT7 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022170	26	ChEMBL_2487934	Inhibition of PRMT8 (unknown origin) incubated for 1 hr in presence of 3H-SAM by topcount plate reader analysis
50022171	1	ChEMBL_2487935	Inhibition of Eu-tagged PD-1 (unknown origin)/C-terminal Fc fusion (human IgG1)/Avi-tagged biotinylated human PDL1 (19 to 239 residues) extracted from HEK293 cells interaction preincubated for 15 mins with PD-L1 followed by PD-1 addition and measured after 90 mins by TR-FRET assay
50022171	2	ChEMBL_2487936	Binding affinity to human VISTA assessed as dissociation constant by SPR binding assay
50022172	1	ChEMBL_2488004	Inhibition of HDAC6 (unknown origin)
50022172	2	ChEMBL_2488005	Inhibition of FAK (unknown origin)
50022172	3	ChEMBL_2488010	Inhibition of HDAC1 (unknown origin)
50022172	4	ChEMBL_2488011	Inhibition of JAK2 (unknown origin)
50022172	5	ChEMBL_2488022	Inhibition of recombinant HDAC3 (unknown origin) measured after 30 mins by fluorescence based assay
50022172	6	ChEMBL_2488023	Inhibition of recombinant HDAC1 (unknown origin) measured after 30 mins by fluorescence based assay
50022172	7	ChEMBL_2488024	Inhibition of recombinant HDAC2 (unknown origin) measured after 30 mins by fluorescence based assay
50022172	8	ChEMBL_2488028	Inhibition of DNMT1 (unknown origin)
50022172	9	ChEMBL_2488036	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based assay
50022172	10	ChEMBL_2488040	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence based analysis
50022172	11	ChEMBL_2488043	Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate
50022172	12	ChEMBL_2488060	Inhibition of recombinant HDAC1 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50022172	13	ChEMBL_2488061	Inhibition of recombinant HDAC3 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50022172	14	ChEMBL_2488062	Inhibition of recombinant HDAC6 (unknown origin) using Boc-Lys (acetyl)-AMC as substrate preincubated for 1 hr followed by substrate addition and measured after 2 hrs by fluorescence based analysis
50022172	15	ChEMBL_2488068	Inhibition of HDAC2 (unknown origin)
50022172	16	ChEMBL_2488072	Inhibition of HDAC1 (unknown origin) using biotinylated P53 peptide as substrate by HTRF assay
50022172	17	ChEMBL_2488077	Inhibition of HDAC8 (unknown origin)
50022172	18	ChEMBL_2488091	Inhibition of HDAC3 (unknown origin)
50022172	19	ChEMBL_2488092	Inhibition of HDAC10 (unknown origin)
50022172	20	ChEMBL_2488093	Inhibition of HDAC11 (unknown origin)
50022172	21	ChEMBL_2488159	Inhibition of human HDAC extracted from human HeLa cell nuclear extract incubated for 30 mins by fluorometric analysis
50022172	22	ChEMBL_2488167	Inhibition of HDAC6 (unknown origin) incubated for 30 mins in presence of fluorimetric assay
50022172	23	ChEMBL_2488178	Inhibition of HDAC3 in human HeLa cell nuclear extract incubated for 30 mins by fluorescence based microplate reader analysis
50022172	24	ChEMBL_2488181	Inhibition of human recombinant HDAC6 using Fluor-de-Lys deacetylase as substrate by Spectrofluorimetry
50022172	25	ChEMBL_2488185	Inhibition of c-Met (unknown origin) using FAM-labeled peptide as substrate pretreated for 10 mins in presence of ATP followed by substrate addition by mobility shift assay
50022172	26	ChEMBL_2488186	Inhibition of HDAC1 (unknown origin) using Ac-peptide as substrate pretreated for 15 mins followed by substrate addition and measured after 60 mins
50022172	27	ChEMBL_2488193	Inhibition of HDAC (unknown origin)
50022172	28	ChEMBL_2488197	Inhibition of wild type BRAF (unknown origin)
50022172	29	ChEMBL_2488198	Inhibition of BRAF V600E mutant (unknown origin)
50022172	30	ChEMBL_2488200	Inhibition of PI3Kalpha (unknown origin)
50022172	31	ChEMBL_2488215	Inhibition of HDAC1 (unknown origin) incubated for 30 mins by fluorescence based microplate reader analysis
50022172	32	ChEMBL_2488216	Inhibition of HDAC2 (unknown origin) incubated for 30 mins by fluorescence based microplate reader analysis
50022172	33	ChEMBL_2488217	Inhibition of HDAC3 (unknown origin) incubated for 30 mins by fluorescence based microplate reader analysis
50022172	34	ChEMBL_2488218	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by fluorescence based microplate reader analysis
50022172	35	ChEMBL_2488227	Inhibition of HDAC6 (unknown origin) using tert-butyl (S)-(6-acetamido- 1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl) carbamate (Boc-Lys(acetyl)-AMC) as substrate pretreated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50022172	36	ChEMBL_2488236	Inhibition of CK-2 (unknown origin)
50022172	37	ChEMBL_2488244	Inhibition of HDAC1 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50022172	38	ChEMBL_2488245	Inhibition of HDAC6 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50022172	39	ChEMBL_2488258	Inhibition of BRD4 (unknown origin)
50022172	40	ChEMBL_2488266	Inhibition of HDAC4 (unknown origin)
50022172	41	ChEMBL_2488273	Inhibition of HDAC1 in human HeLa cells incubated for 72 hrs by ELISA
50022172	42	ChEMBL_2488274	Inhibition of HDAC6 in human HeLa cells incubated for 72 hrs by ELISA
50022172	43	ChEMBL_2488279	Inhibition of human HDAC1 incubated for 30 mins by ELISA
50022172	44	ChEMBL_2488280	Inhibition of HDAC2 (unknown origin) incubated for 30 mins by ELISA
50022172	45	ChEMBL_2488281	Inhibition of HDAC3 (unknown origin) incubated for 30 mins by ELISA
50022172	46	ChEMBL_2488282	Inhibition of HDAC4 (unknown origin) incubated for 30 mins by ELISA
50022172	47	ChEMBL_2488283	Inhibition of HDAC8 (unknown origin) incubated for 30 mins by ELISA
50022172	48	ChEMBL_2488286	Inhibition of HDAC1 (unknown origin) using 6-carboxyfluorescein peptide as substrate incubated for 18 hrs by fluorescence based assay
50022172	49	ChEMBL_2488287	Inhibition of HDAC2 (unknown origin) using 6-carboxyfluorescein peptide as substrate incubated for 18 hrs by fluorescence based assay
50022172	50	ChEMBL_2488288	Inhibition of HDAC6 (unknown origin) using 6-carboxyfluorescein peptide as substrate incubated for 18 hrs by fluorescence based assay
50022172	51	ChEMBL_2488309	Inhibition of EGFR (unknown origin)
50022172	52	ChEMBL_2488310	Inhibition of human HDAC1 by colorimetric ELISA assay
50022172	53	ChEMBL_2488311	Inhibition of human HDAC2 by colorimetric ELISA assay
50022172	54	ChEMBL_2488312	Inhibition of human HDAC6 by colorimetric assay
50022172	55	ChEMBL_2488321	Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC as fluorogenic substrate pre-incubated for 30 mins followed by substrate addition and measured for 1 hr by Fluorescence based analysis
50022172	56	ChEMBL_2488327	Inhibition of HDAC6 (unknown origin) incubated for 30 mins by fluorescence based microplate analysis
50022172	57	ChEMBL_2488328	Inhibition of HDAC1 (unknown origin) using ZMAL (Z-Lys(Ac)-AMC as fluorogenic substrate pre-incubated for 15 mins followed by susbtrate addition and measured for 45 mins by fluorescence based analysis
50022172	58	ChEMBL_2488329	Inhibition of HDAC6 (unknown origin) using ZMAL (Z-Lys(Ac)-AMC as fluorogenic substrate pre-incubated for 15 mins followed by susbtrate addition and measured for 45 mins by fluorescence based analysis
50022172	59	ChEMBL_2488336	Inhibition of HDAC8 (unknown origin) using R-H-K(Ac)-K(Ac)-AFC as fluoregenic substrate by fluorescence based analysis
50022172	60	ChEMBL_2488343	Inhibition of HDAC1 (unknown origin) using Boc-Lys-(Ac)-AMC as substrate incubated for 60 mins by fluorescence based analysis
50022172	61	ChEMBL_2488344	Inhibition of HDAC2 (unknown origin) using Boc-Lys-(Ac)-AMC as substrate incubated for 60 mins by fluorescence based analysis
50022174	1	ChEMBL_2488346	Inhibition of full-length human recombinant Fyn using Poly(Glu4, Tyr1) as substrate measured for 60 mins by Kinase-Glo reagent based analysis
50022174	2	ChEMBL_2488347	Binding affinity to SRC (unknown origin) assessed as inhibition constant
50022175	1	ChEMBL_2488359	Inhibition of PI3Kalpha H1047R mutant in human MDA-MB-453 cells using PIP2 as substrate pre-incubated for 15 mins followed by substrate addition and measured for 1 hrs by ADP-Glo reagent based assay
50022175	2	ChEMBL_2488361	Inhibition of N-terminal human PARP1
50022175	3	ChEMBL_2488362	Inhibition of PARP-2 (unknown origin)
50022175	4	ChEMBL_2488372	Inhibition of EGFR (unknown origin) by Z-LYTE kinase assay
50022175	5	ChEMBL_2488380	Inhibition of human recombinant PARP1 by Chemiluminescent based assay
50022175	6	ChEMBL_2488383	Inhibition of Topoisomerase 1 (unknown origin)
50022175	7	ChEMBL_2488384	Inhibition of HDAC1 (unknown origin)
50022175	8	ChEMBL_2488386	Inhibition of human recombinant EGFR
50022175	9	ChEMBL_2488389	Inhibition of human recombinant PARP2 by Chemiluminescent based assay
50022175	10	ChEMBL_2488390	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate pre-incubated for 10 mins followed by substrate addition and measured after 20 mins by microplate reader analysis
50022175	11	ChEMBL_2488406	Binding affinity to human recombinant Adenosine A1 receptor assessed as inhibition constant
50022175	12	ChEMBL_2488407	Binding affinity to human recombinant Adenosine A3 receptor assessed as inhibition constant
50022175	13	ChEMBL_2488408	Binding affinity to human recombinant Adenosine A2a receptor assessed as inhibition constant
50022175	14	ChEMBL_2488409	Binding affinity to human recombinant Adenosine A2b receptor assessed as inhibition constant
50022175	15	ChEMBL_2488418	Inhibition of VEGFR2 (unknown origin)
50022175	16	ChEMBL_2488421	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by HTRF assay
50022175	17	ChEMBL_2488426	Inhibition of PI3Kalpha in human T47D cells
50022176	1	ChEMBL_2488435	Inhibition of HDAC7 (unknown origin) using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac)AMC as substrate by fluorescence based analysis
50022176	2	ChEMBL_2488436	Inhibition of HDAC6 (unknown origin) using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac)AMC as substrate by fluorescence based analysis
50022176	3	ChEMBL_2488437	Inhibition of HDAC3 (unknown origin) using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac)AMC as substrate by fluorescence based analysis
50022176	4	ChEMBL_2488438	Inhibition of HDAC3 (unknown origin)
50022176	5	ChEMBL_2488439	Inhibition of HDAC1 (unknown origin) using (Ac-Leu-Gly-Lys (Ac)-AMC as substrate pre-incubated for 30 min followed by substrate addition and measured for 1 hrs by fluorescence based analysis
50022176	6	ChEMBL_2488440	Inhibition of HDAC3 (unknown origin) using (Ac-Leu-Gly-Lys (Ac)-AMC as substrate pre-incubated for 30 min followed by substrate addition and measured for 1 hrs by fluorescence based analysis
50022176	7	ChEMBL_2488441	Inhibition of HDAC6 (unknown origin) using (Ac-Leu-Gly-Lys (Ac)-AMC as substrate pre-incubated for 30 min followed by substrate addition and measured for 1 hrs by fluorescence based analysis
50022176	8	ChEMBL_2488442	Inhibition of HDAC8 (unknown origin) using Ac-Leu-Gly-Lys (Tfa)-AMC as substrate pre-incubated for 30 min followed by substrate addition and measured for 1 hrs by fluorescence based analysis
50022176	9	ChEMBL_2488444	Inhibition of HDAC1 (unknown origin) using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac)AMC as substrate by fluorescence based analysis
50022176	10	ChEMBL_2488446	Inhibition of HDAC1 (unknown origin)
50022176	11	ChEMBL_2488447	Inhibition of HDAC4 (unknown origin)
50022176	12	ChEMBL_2488448	Inhibition of HDAC6 (unknown origin)
50022176	13	ChEMBL_2488449	Inhibition of HDAC8 (unknown origin)
50022176	14	ChEMBL_2488450	Inhibition of HDAC11 (unknown origin)
50022176	15	ChEMBL_2488451	Inhibition of PI3Kalpha (unknown origin)
50022176	16	ChEMBL_2488452	Inhibition of PI3Kbeta (unknown origin)
50022176	17	ChEMBL_2488453	Inhibition of PI3Kdelta (unknown origin)
50022176	18	ChEMBL_2488454	Inhibition of PI3Kgamma (unknown origin)
50022176	19	ChEMBL_2488455	Inhibition of HDAC6 (unknown origin) extracted from baculovirus infected Sf9 insect cells using fluorescent peptide p53 (379 to 382 residues) RHKK(Ac)AMC as substrate by fluorescence based analysis
50022176	20	ChEMBL_2488456	Inhibition of ALK (unknown origin) using poly[Glu:Tyr] (4:1) as substrate incubated for 2 hrs by [gamma-33P]ATP assay
50022176	21	ChEMBL_2488458	Inhibition of wild type B-RAF (unknown origin)
50022176	22	ChEMBL_2488459	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	23	ChEMBL_2488460	Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	24	ChEMBL_2488461	Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	25	ChEMBL_2488462	Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	26	ChEMBL_2488463	Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	27	ChEMBL_2488464	Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	28	ChEMBL_2488465	Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate incubated for 20 mins by fluorescence based assay
50022176	29	ChEMBL_2488469	Inhibition of HDAC2 (unknown origin)
50022176	30	ChEMBL_2488470	Inhibition of HDAC5 (unknown origin)
50022176	31	ChEMBL_2488471	Inhibition of HDAC7 (unknown origin)
50022176	32	ChEMBL_2488472	Inhibition of HDAC9 (unknown origin)
50022176	33	ChEMBL_2488475	Inhibition of PAK1 (unknown origin)
50022176	34	ChEMBL_2488476	Inhibition of HDAC10 (unknown origin)
50022176	35	ChEMBL_2488477	Inhibition of PAK2 (unknown origin)
50022176	36	ChEMBL_2488478	Inhibition of PAK3 (unknown origin)
50022176	37	ChEMBL_2488479	Inhibition of PDE9A (unknown origin)
50022176	38	ChEMBL_2488480	Inhibition of PDE5A (unknown origin)
50022176	39	ChEMBL_2488481	Inhibition of SIRT2 (unknown origin)
50022177	1	ChEMBL_2488483	Inhibition of SERT in rat cerebral synaptosomes assessed as reduction in [3H]5-HT uptake
50022177	2	ChEMBL_2488487	Inhibition of human SERT expressed in HEK293 cells incubated for 30 mins
50022177	3	ChEMBL_2488488	Inhibition of NET (unknown origin)
50022177	4	ChEMBL_2488489	Inhibition of DAT (unknown origin)
50022178	1	ChEMBL_2488514	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 0.25 hrs followed by substrate addition and measured after 0.5 hrs by spectrophotometric analysis
50022178	2	ChEMBL_2488515	Inhibition of hog pancreatic alpha-amylase using soluble starch as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by absorbance based analysis
50022178	3	ChEMBL_2488517	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant of free alpha-glucosidase incubated for 7 mins by spectrophotometer based Lineweaver-Burk plot analysis
50022178	4	ChEMBL_2488518	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate assessed as inhibition constant of enzyme-substrate complex incubated for 7 mins by spectrophotometer based Lineweaver-Burk plot analysis
50022178	5	ChEMBL_2488520	Inhibition of hog pancreatic alpha-amylase using soluble starch as substrate assessed as inhibition constant of free alpha-amylase preincubated for 10 mins followed by substrate addition and measured after 15 mins by Lineweaver-Burk plot analysis
50022178	6	ChEMBL_2488521	Inhibition of hog pancreatic alpha-amylase using soluble starch as substrate assessed as inhibition constant of enzyme-substrate complex preincubated for 10 mins followed by substrate addition and measured after 15 mins by Lineweaver-Burk plot analysis
50022179	1	ChEMBL_2488546	Inhibition of interleukin-17RE/biotinylated IL-17C protein-protein interaction (unknown origin) incubated for 1 hrs by competitive ELISA
50022182	1	ChEMBL_2488554	Displacement of [3H]prazosin from recombinant human alpha 1A adrenoceptor extracted from CHO cell membrane incubated for 60 mins by radioligand binding assay
50022182	2	ChEMBL_2488555	Displacement of [3H]prazosin from recombinant human alpha 1B adrenoceptor extracted from CHO cell membrane incubated for 60 mins by radioligand binding assay
50022182	3	ChEMBL_2488556	Displacement of [3H]prazosin from recombinant human alpha 1D adrenoceptor extracted from CHO cell membrane incubated for 60 mins by radioligand binding assay
50022182	4	ChEMBL_2488557	Displacement of [3H]Ketanserin from recombinant human 5-HT2A receptor extracted from CHO cell membrane incubated for 60 mins by radioligand binding assay
50022183	1	ChEMBL_2488706	Binding affinity to N-terminal His-6-tagged human KDM4D catalytic domain (1 to 342 residues) assessed as dissociation constant by isothermal titration calorimetry analysis
50022184	1	ChEMBL_2488717	Inhibition of human TMPRSS2 using fluorogenic substrate preincubated with enzyme in dark for 45 mins followed by substrate addition and measured after 10 mins by fluorogenic assay
50022184	2	ChEMBL_2488719	Inhibition of SARS-CoV-2 recombinant RdRp preincubated with enzyme for 15 mins followed by single stranded polyribonucleotide template and NTPs addition and measured after 2 hrs by fluorescence spectrometric analysis
50022185	1	ChEMBL_2488726	Non-competitive inhibition of DDT (unknown origin) using pyruvic acid as substrate incubated for 10 mins by absorbance based analysis
50022185	2	ChEMBL_2488732	Inhibition of DDT (unknown origin) expressed in Escherichia coli by absorbance based analysis
50022186	1	ChEMBL_2488733	Inhibition of human MAGL using 2-arachidonoylglycerol as substrate assessed as reduction in substrate hydrolysis by measuring arachidonic acid formation preincubated for 15 mins followed by substrate addition and measured after 30 mins by triple quadrupole mass spectrometric analysis
50022187	1	ChEMBL_2488736	Inhibition of human recombinant FPPS using IPP as substrate preincubated with enzyme for 15 mins followed by substrate addition and measured after 1 hr
50022188	1	ChEMBL_2488758	Displacement of biotinylated Fc-tagged ephrin-A1 from C/N-terminal 6-His tagged mouse recombinant EphA2 (Ala22 to Ala535 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	2	ChEMBL_2488759	Displacement of biotinylated Fc-tagged ephrin-A1 from N/C-terminal 6-his tagged human recombinant EphA1 (Lys26 to Glu547 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	3	ChEMBL_2488760	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged mouse EphA3 (Glu21 to His541 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	4	ChEMBL_2488761	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged mouse EphA4 (Val20 to Thr547 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	5	ChEMBL_2488762	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged rat EphA5 (Ser 58 to Gln573 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	6	ChEMBL_2488763	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged mouse EphA6 (Ser28 to Gln546 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	7	ChEMBL_2488764	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged mouse EphA7 (Ala30 to Pro549 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	8	ChEMBL_2488765	Displacement of biotinylated Fc-tagged ephrin-A1 from recombinant N/C-terminal 6-his tagged mouse EphA8 (Gly27 to Arg540 residues) preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	9	ChEMBL_2488766	Displacement of biotinylated Fc-tagged ephrin-B1 from N/C-terminal recombinant rat EphB1 (Met18 to Gln538 residues) preincubated for 1 hr followed by ephrin-B1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	10	ChEMBL_2488767	Displacement of biotinylated Fc-tagged ephrin-B1 from recombinant N/C-terminal 6-his tagged mouse EphB2 (Val27 to Lys548 residues) preincubated for 1 hr followed by ephrin-B1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	11	ChEMBL_2488768	Displacement of biotinylated Fc-tagged ephrin-B1 from recombinant mouse EphB3 (Leu 30 to Thru537 residues) preincubated for 1 hr followed by ephrin-B1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022188	12	ChEMBL_2488769	Displacement of biotinylated Fc-tagged ephrin-A1 from C/N-terminal 6-His tag mouse recombinant EphA2 (Ala22 to Ala535 residues) assessed as inhibition constant preincubated for 1 hr followed by ephrin-A1-Fc addition and measured after 4 to 5 hrs by ELISA assay
50022189	1	ChEMBL_2488782	Inhibition of Phosphatidylinositol 4-Kinase III beta (unknown origin) preincubated for 10 min followed by incubated with ATP for 1 hr by ADP-Glo kinase assay
50022189	2	ChEMBL_2488846	Inhibition of Phosphatidylinositol 4-Kinase III alpha (unknown origin) preincubated for 10 min followed by incubated with ATP for 1 hr by ADP-Glo kinase assay
50022190	1	ChEMBL_2488939	Binding affinity to TRIP13 (unknown origin) assessed as dissociation rate constant by SPR analysis
50022190	2	ChEMBL_2488940	Binding affinity to TRIP13 (unknown origin) assessed as dissociation constant by SPR analysis
50022191	1	ChEMBL_2488968	Inhibition of wild-type HIV-1 reverse transcriptase incubated for 1 hr in presence of biotin-dUTP by ELISA
50022192	1	ChEMBL_2488973	Inhibition of N-terminal human recombinant wild type FLT3 cytoplasmic kinase domain ( 563 to 993 residues) extracted from baculovirus infected Sf9 insect cells
50022192	2	ChEMBL_2488974	Inhibition of wild type catalytic domain of FLT3 (592 to 696 residues) (unknown origin) by HTRF assay
50022192	3	ChEMBL_2488975	Inhibition of FLT3 ITD mutant (unknown origin)
50022192	4	ChEMBL_2488976	Inhibition of FLT3 in human MV4-11 cells assessed as reduction in FLT3 phosphorylation
50022192	5	ChEMBL_2488977	Inhibition of wild type FLT3 (unknown origin) by KinomeScan selectivity assay
50022192	6	ChEMBL_2488978	Inhibition of FLT3 ITD mutant in human MV4-11 cells assessed as reduction in phosphorylation of FLT3 protein expression by Western blot analysis
50022192	7	ChEMBL_2488979	Inhibition of FLT3 D835Y mutant (unknown origin)
50022192	8	ChEMBL_2488980	Inhibition of wild type FLT3 (unknown origin)
50022192	9	ChEMBL_2488981	Inhibition of HDAC1 (unknown origin)
50022193	1	ChEMBL_2489013	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50022193	2	ChEMBL_2489021	Inhibition of wildtype EGFR (unknown origin)
50022195	1	ChEMBL_2489134	Binding affinity to GPX4 (unknown origin) assessed as dissociation constant by surface plasmon resonance
50022196	1	ChEMBL_2489160	Inhibition of PDE4D7 (unknown origin) using FAM-cyclic-3'5'-AMP as substrate incubated for 1 hrs by fluorescence polarization assay
50022196	2	ChEMBL_2489161	Inhibition of human recombinant PDE4D using radioactively labelled cAMP and cAMP as substrate incubated for 1 hrs by luminescence based analysis
50022196	3	ChEMBL_2489168	Inhibition of PDE4B (unknown origin) using FAM-cyclic-3'5'-AMP as substrate incubated for 1 hrs by fluorescence polarization assay
50022196	4	ChEMBL_2489169	Inhibition of PDE4D (unknown origin) using FAM-cyclic-3'5'-AMP as substrate incubated for 1 hrs by fluorescence polarization assay
50022196	5	ChEMBL_2489193	Inhibition of PDE4 (unknown origin)
50022196	6	ChEMBL_2489194	Inhibition of PDE7 (unknown origin)
50022196	7	ChEMBL_2489195	Inhibition of PDE4B (unknown origin)
50022196	8	ChEMBL_2489196	Inhibition of PDE4D (unknown origin)
50022196	9	ChEMBL_2489197	Inhibition of recombinant human PDE4B catalytic domain extracted from baculovirus infected Sf9 cells using 5'-nucleotidase as substrate preincubated for 20 mins followed by 2 mins incubation at 65 degreeC and measured 10 mins after substrate addition by scintillation counter
50022197	1	ChEMBL_2489206	Inhibition of N-terminal ASH1L SET domain (2069 to 2288) (unknown origin) extracted from Escherichia coli BL21 (DE3)
50022197	2	ChEMBL_2489208	Inhibition of ALK5 (unknown origin)
50022197	3	ChEMBL_2489210	Inhibition of EGFR (unknown origin)
50022197	4	ChEMBL_2489218	Inhibition of PHGDH (unknown origin)
50022197	5	ChEMBL_2489219	Inhibition of N-terminal 6His-tagged human PHGDH extracted from Escherichia coli Rossetta 2 (DE3)
50022197	6	ChEMBL_2489223	Inhibition of SIRT1 (unknown origin)
50022197	7	ChEMBL_2489224	Inhibition of SIRT2 (unknown origin)
50022197	8	ChEMBL_2489225	Inhibition of SIRT3 (unknown origin)
50022197	9	ChEMBL_2489226	Inhibition of SIRT5 (unknown origin)
50022197	10	ChEMBL_2489227	Inhibition of C-terminal His-tagged SIRT2 (50 to 356 residues) (unknown origin) using Ac-Glu-Thr-Asp-Lys(Myr)-AMC as substrate by fluorescence based analysis
50022197	11	ChEMBL_2489241	Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant
50022197	12	ChEMBL_2489243	Inhibition of SARS-CoV-2 MPro
50022197	13	ChEMBL_2489245	Inhibition of human carbonic anhydrase I
50022197	14	ChEMBL_2489246	Inhibition of human carbonic anhydrase II
50022199	1	ChEMBL_2489288	Inhibition of Fc-tagged recombinant human PD-1/His-tagged recombinant human PD-L1 interaction by ALPHA assay
50022199	2	ChEMBL_2489289	Inhibition of interaction of human PD-1 expressed in human Jurkat T cells co-expressing Luc/human PD-L1 expressed in CHO-K1 cells assessed as activation of NFAT-mediated luciferase activity pretreated compound with CHO-K1 cells for 2 hrs followed by co-treatment with human Jurkat T cells for 6 hrs by Bio-Glo Luciferase assay
50022199	3	ChEMBL_2489290	Inhibition of biotinylated PD-1/His-tagged PD-L1 (unknown origin) incubated for 60 mins by ALPHA assay
50022199	4	ChEMBL_2489301	Inhibition of mouse PD-1/PD-L1 interaction
50022199	5	ChEMBL_2489302	Induction of internalization of PD-L1 (unknown origin) expressed in CHO-K1 cells assessed as reduction in surface PD-L1 expression incubated for 16 hrs by flow cytometry
50022199	6	ChEMBL_2489303	Induction of PD-L1 internalization in human whole blood incubated for 24 hrs by flow cytometry
50022200	1	ChEMBL_2489338	Inhibition of USP7 (unknown origin) using Ub-AFC as substrate assessed as substrate cleavage preincubated for 15 mins followed by substrate addition and measured after 1 hrs by fluorescence assay
50022200	2	ChEMBL_2489340	Binding affinity to USP7 (unknown origin) assessed as dissociation constant by fluorescence based thermal shift assay
50022202	1	ChEMBL_2489370	Inhibition of HIV-1 NL4-3 monomeric capsid protein
50022202	2	ChEMBL_2489374	Inhibition of JAK1 (unknown origin)
50022202	3	ChEMBL_2489375	Inhibition of JAK2 (unknown origin)
50022202	4	ChEMBL_2489376	Inhibition of TYK2 (unknown origin)
50022202	5	ChEMBL_2489377	Agonist activity at human AhR by TR-FRET assay
50022202	6	ChEMBL_2489380	Inhibition of PKM2 (unknown origin)
50022202	7	ChEMBL_2489381	Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation
50022202	8	ChEMBL_2489383	Inhibition of IDH1 (unknown origin)
50022202	9	ChEMBL_2489384	Inhibition of JAK2 (unknown origin) using kinetic substrate in presence of ATP by mobility shift assay
50022202	10	ChEMBL_2489385	Inhibition of FLT3 (unknown origin)
50022202	11	ChEMBL_2489388	Inhibition of OX1R (unknown origin)
50022202	12	ChEMBL_2489389	Inhibition of OX2R (unknown origin)
50022202	13	ChEMBL_2489392	Inhibition of N-terminal human recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022202	14	ChEMBL_2489393	Inhibition of human FLT3 (unknown origin) using poly(Glu,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022203	1	ChEMBL_2489394	Agonist activity at Gal4 fused-PPAR alpha (unknown origin) by luciferase reporter assay
50022203	2	ChEMBL_2489398	Inhibition of STING in human THP1-Lucia ISG cells assessed as reduction in luciferase activity preincubated for 1.5 hrs followed by 2,3-cGAMP addition and measured after 20 hrs by luminescence based analysis
50022205	1	ChEMBL_2489432	Inhibition of human URAT1 transfected in HEK293 cells by measuring 14C-uric acid uptake preincubated for 30 mins followed by 14--uric acid addition and measured after 15 mins by liquid scintillation counter analysis
50022205	2	ChEMBL_2489434	Inhibition of GLUT9 (unknown origin) overexpressed in uric acid-induced HEK293 cells by patch clamp analysis
50022205	3	ChEMBL_2489452	Inhibition of URAT1 (unknown origin)
50022206	1	ChEMBL_2489559	Inhibition of Influenza A virus RdRp transfected in HEK293T cells co-expressing PA/PB1/PB2/NP/firefly luciferase/Renilla luciferase incubated for 19 hrs by minireplicon assay
50022206	2	ChEMBL_2489563	Inhibition of Influenza A virus RdRp transfected in HEK293T cells co-expressing PA/PB1/PB2/NP/firefly luciferase/Renilla luciferase preincubated for 4 hrs followed by medium replacement with compound measured after 20 hrs by minireplicon assay
50022206	3	ChEMBL_2489570	Inhibition of Influenza A virus RdRp transfected in HEK293T cells co-expressing PA/PB1/PB2/NP/firefly luciferase/Renilla luciferase assessed as impaired nuclear import preincubated for 4 hrs followed by medium replacement with compound measured after 20 hrs by minireplicon assay
50022207	1	ChEMBL_2489595	Inhibition of ROCK1 (unknown origin) incubated for 10 mins in presence of ATP by mobility shift assay
50022207	2	ChEMBL_2489596	Inhibition of ROCK2 (unknown origin) incubated for 60 mins in presence of ATP by mobility shift assay
50022208	1	ChEMBL_2489716	Inhibition of EGFR L858R mutant (unknown origin)
50022208	2	ChEMBL_2489717	Inhibition of EGFR T790M mutant (unknown origin)
50022208	3	ChEMBL_2489718	Inhibition of EGFR (unknown origin)
50022208	4	ChEMBL_2489719	Inhibition of PIK3CA (unknown origin)
50022209	1	ChEMBL_2489752	Inhibition of Influenza A virus A/Puerto Rico/8/34 (H1N1) neuraminidase assessed as reduction in neuraminidase activity by chemiluminescence based assay
50022211	1	ChEMBL_2489759	Inhibition of HIV-1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation incubated for 2 hrs in presence of template and viral nucleotides by ELISA
50022212	1	ChEMBL_2489844	Binding affinity to PTP1B (unknown origin) assessed as inhibition constant
50022212	2	ChEMBL_2489845	Binding affinity to PTPN2 (unknown origin) assessed as inhibition constant
50022212	3	ChEMBL_2489846	Inhibition of PTP1B (unknown origin)
50022212	4	ChEMBL_2489847	Inhibition of PTPN2 (unknown origin)
50022212	5	ChEMBL_2489848	Inhibition of human PTPN2 extracted from Escherichia coli BL21 (DE3) by fluorescence based analysis
50022212	6	ChEMBL_2489849	Inhibition of full-length human recombinant PTPN2 incubated for 20 mins by mobile shift assay
50022213	1	ChEMBL_2490175	Inhibition of Staphylococcus aureus YycG expressed in Escherichia coli preincubated for 30 mins followed by ATP addition and measured after 30 mins by kinase-Glo luminescent assay
50022214	1	ChEMBL_2490268	Binding affinity to fluorescent labeled recombinant BCL-6 BTB domain (unknown origin) assessed as dissociation constant incubated for 10 mins by MST analysis
50022217	1	ChEMBL_2490285	Inhibition of C-terminal 6xHis/FLAG-tagged full-length recombinant human HDAC1 (1 to 482 residues) extracted from Sf9 cells using ZMAL (ZLys(Ac)-AMC) as substrate incubated for 90 mins by fluorescence based assay
50022217	2	ChEMBL_2490286	Inhibition of N-terminal GST-tagged full-length recombinant human HDAC6 (1 to 1215 residues) extracted from Sf9 cells using ZMAL (ZLys(Ac)-AMC) as substrate incubated for 90 mins by fluorescence based assay
50022218	1	ChEMBL_2490396	Inhibition of human COX-2 by fluorescence microplate reader analysis
50022220	1	ChEMBL_2490493	Inhibition of recombinant GST-tagged STAT3 (unknown origin) assessed as dissociation constant by Surface plasmon resonance (SPR) assay
50022220	2	ChEMBL_2490508	Inhibition of IL-6-induced STAT3 activation in HEK293-STAT3-Luc2P cell line assessed as decrease in phosphorylated STAT3 (p-STAT3 Tyr705) level measured after 24 hrs by STAT3 luciferase reporter gene/Bright-Lite luciferase assay
50022221	1	ChEMBL_2490605	Inhibition of recombinant human NSD2 (941 to 1240 residues) using unmethylated histone H3 as substrate incubated for 40 mins in the presence of SAM and nucleosomes by AlphaLISA method
50022221	2	ChEMBL_2490606	Inhibition of G9a (unknown origin)
50022221	3	ChEMBL_2490607	Inhibition of GLP (unknown origin)
50022221	4	ChEMBL_2490608	Inhibition of PRMT4 (unknown origin)
50022221	5	ChEMBL_2490609	Inhibition of PRMT5 (unknown origin)
50022221	6	ChEMBL_2490610	Inhibition of PRMT8 (unknown origin)
50022221	7	ChEMBL_2490611	Inhibition of EZH2 (unknown origin)
50022221	8	ChEMBL_2490612	Inhibition of MLL1 (unknown origin)
50022221	9	ChEMBL_2490613	Inhibition of MLL4 (unknown origin)
50022221	10	ChEMBL_2490614	Inhibition of DNMT1 (unknown origin)
50022221	11	ChEMBL_2490643	Inhibition of NSD1-SET (unknown origin) assessed as reduction in H3K36me1 level by Western blot analysis
50022221	12	ChEMBL_2490644	Inhibition of NSD3-SET (unknown origin) assessed as reduction in H3K36me1 level by Western blot analysis
50022221	13	ChEMBL_2490645	Inhibition of NSD2-SET domain (unknown origin) assessed as reduction in H3K36me1 level by Western blot analysis
50022221	14	ChEMBL_2490646	Binding affinity to NSD2 PWWP1 domain (unknown origin) assessed as dissociation constant by SPR analysis
50022221	15	ChEMBL_2490647	Inhibition of NSD2 PWWP1 domain (unknown origin) by Alphascreen assay
50022221	16	ChEMBL_2490648	Inhibition of NSD2-SET domain (unknown origin)
50022221	17	ChEMBL_2490649	Inhibition of G9a (unknown origin) by AlphaScreen assay
50022222	1	ChEMBL_2490652	Inhibition of LRRK2 G2019S mutant in human SH-SY5Y cells assessed as LRRK2 pSer935 phosphorylation incubated for 90 mins
50022222	2	ChEMBL_2490656	Inhibition of human BCRP extracted from HEK293 cells membrane assessed as reduction in [3H]-rosuvastatin uptake preincubated for 5 mins followed by ATP addition and incubated for 1 min under shaking condition in presence of ATP regenerating system by liquid scintillation counting method
50022222	3	ChEMBL_2490658	Inhibition of LRRK2 in human PBMCs assessed as Ser935 dephosphorylation incubated for 90 mins
50022222	4	ChEMBL_2490663	Inhibition of P-gp (unknown origin)
50022223	1	ChEMBL_2490703	Agonist activity at human TLX LBD expressed in HEK293T cells co-transfected with RL/Gal4-VP16 assessed as repression of VP16-induced reporter activity incubated for 16 hrs by Dual-Glo Luciferase assay
50022223	2	ChEMBL_2490705	Binding affinity to human TLX LBD assessed as dissociation constant by ITC analysis
50022223	3	ChEMBL_2490712	Inhibition of ROR-alpha (unknown origin) expressed in HEK293T cells co-transfected with RL/Gal4-VP16 incubated for 16 hrs by Dual-Glo Luciferase assay
50022224	1	ChEMBL_2490806	Inhibition of NRF2/MAFG (unknown origin) heterodimerization using fluorescein-labeled ARE DNA duplex as substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by FP assay
50022224	2	ChEMBL_2490807	Inhibition of NRF2 (unknown origin)
50022224	3	ChEMBL_2490819	Inhibition of NRF2 in human KYSE-70 cells
50022224	4	ChEMBL_2490820	Inhibition of NRF2 in human A549 cells
50022224	5	ChEMBL_2490821	Binding affinity to NRF2 (unknown origin) using dsDNA as substrate assessed as dissociation constant incubated for 60 mins by FP assay
50022225	1	ChEMBL_2490824	Inhibition of Schistosoma mansoni TGR incubated for 15 mins in presence of NADPH
50022227	1	ChEMBL_2490838	Inhibition of NEU1 (unknown origin) preincubated for 2 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022228	1	ChEMBL_2490903	Binding affinity to HSP90alpha (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50022228	2	ChEMBL_2490904	Binding affinity to GRP94 (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50022228	3	ChEMBL_2490905	Binding affinity to recombinant GRP94 (unknown origin) assessed as dissociation constant incubated for 24 hrs by fluorescence polarization assay
50022228	4	ChEMBL_2490906	Inhibition of recombinant GRP94 (unknown origin)
50022228	5	ChEMBL_2490907	Binding affinity to recombinant HSP90alpha (unknown origin) assessed as dissociation constant measured for 24 hrs by fluorescence polarization assay
50022228	6	ChEMBL_2490908	Inhibition of HSP90alpha (unknown origin)
50022228	7	ChEMBL_2490909	Inhibition of recombinant HSP90alpha (unknown origin)
50022228	8	ChEMBL_2490910	Binding affinity to HSP90beta (unknown origin) assessed as dissociation constant by fluorescence polarization assay
50022228	9	ChEMBL_2490913	Inhibition of mTOR (unknown origin)
50022228	10	ChEMBL_2490915	Inhibition of PDHK1 (unknown origin)
50022228	11	ChEMBL_2490916	Inhibition of B-Raf (unknown origin)
50022228	12	ChEMBL_2490917	Inhibition of B-Raf V600E mutant (unknown origin)
50022229	1	ChEMBL_2491030	Inhibition of human FSH receptor
50022230	1	ChEMBL_2491088	Inhibition of c-Met phosphorylation in human BT-474 cells using Z-LYTE Tyr6 peptide substrate measured after 1 hr incubation by Z-LYTE c-Met Kinase assay
50022231	1	ChEMBL_2491106	Inhibition of N-terminal His-tagged recombinant human IDO1 extracted from Escherichia coli Transetta (DE3) using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hrs by absorbance based microplate reader
50022231	2	ChEMBL_2491107	Inhibition of N-terminal His-tagged recombinant human TDO extracted from Escherichia coli Transetta (DE3) using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 1 hrs by absorbance based microplate reader
50022231	3	ChEMBL_2491108	Inhibition of IDO1 in IFN-gamma induced human HeLa cells using L-tryptophan as substrate incubated for 24 hrs by absorbance based microplate analysis
50022231	4	ChEMBL_2491109	Inhibition of human TDO transfected in HEK293T cells using L-tryptophan as substrate incubated for 24 hrs by absorbance based microplate analysis
50022231	5	ChEMBL_2491116	Binding affinity to recombinant human IDO1 assessed as dissociation rate constant at 0.78 to 25 uM by SPR analysis
50022231	6	ChEMBL_2491118	Binding affinity to recombinant human IDO1 assessed as equilibrium dissociation constant by SPR analysis
50022231	7	ChEMBL_2491119	Binding affinity to recombinant human TDO assessed as dissociation rate constant at 0.78 to 25 uM by SPR analysis
50022231	8	ChEMBL_2491121	Binding affinity to recombinant human TDO assessed as equilibrium dissociation constant by SPR analysis
50022231	9	ChEMBL_2491143	Inhibition of IDO1 (unknown origin)
50022231	10	ChEMBL_2491144	Inhibition of TDO (unknown origin)
50022232	1	ChEMBL_2491256	Inhibition of PPARgamma (unknown origin)
50022232	2	ChEMBL_2491257	Antagonist activity at PPARgamma (unknown origin)
50022233	1	ChEMBL_2491258	Induction of N-terminal HiBiT tag knocked in IKZF3 degradation in human DF15 cells incubated for 60 mins by Nano-Glo HiBiT lytic reagent based assay
50022233	2	ChEMBL_2491259	Induction of ePL tagged CK1alpha degradation in human MDS-L cells incubated for 60 mins by luminescence reader assay
50022233	3	ChEMBL_2491260	Induction of ePL tagged GSPT1 degradation in human DF15 cells incubated for 60 mins by luminescence reader assay
50022233	4	ChEMBL_2491261	Induction of C-terminal HiBiT tag knocked in SALL4 degradation in human NCCIT cells incubated for 60 mins by Nano-Glo HiBiT lytic reagent based assay
50022234	1	ChEMBL_2491265	Inhibition of human RET kinase-G810R mutant using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP and 10 uM ATP by radiometric HotSpot assay
50022234	2	ChEMBL_2491266	Inhibition of human RET kinase-V804M mutant using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP and 10 uM ATP by radiometric HotSpot assay
50022234	3	ChEMBL_2491268	Inhibition of human wild type RET kinase using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP and 10 uM ATP by radiometric HotSpot assay
50022234	4	ChEMBL_2491269	Inhibition of human KI5B-RET kinase in presence of [gamma33P]-ATP and 10 uM ATP by radiometric HotSpot assay
50022235	1	ChEMBL_2491280	Displacement of [125I]DOI from 5-HT2A receptor (unknown origin) assessed as inhibition constant
50022235	2	ChEMBL_2491281	Activation of human 5-HT2A receptor
50022236	1	ChEMBL_2491304	Inhibition of recombinant human semen PSA using Mu-HSSKLQAMC as substrate preincubated for 15 mins followed by substrate addition by fluorescence based assay
50022236	2	ChEMBL_2491306	Inhibition of thrombin (unknown origin) by fluorescence based assay
50022236	3	ChEMBL_2491307	Inhibition of neutrophil elastase (unknown origin) using 7-amino-4-trifluoromethyl-coumarin based peptide as substrate measured for 1 hr by fluorescence based microplate reader assay
50022237	1	ChEMBL_2491318	Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022237	2	ChEMBL_2491319	Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022237	3	ChEMBL_2491320	Inhibition of human CA4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022237	4	ChEMBL_2491321	Inhibition of human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022237	5	ChEMBL_2491322	Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022237	6	ChEMBL_2491323	Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022238	1	ChEMBL_2491348	Inhibition of human DGAT2 extracted from Sf9 cell membrane using diolein/13C oleoyl-CoA as substrate
50022239	1	ChEMBL_2491349	Inhibition of full length his-tagged human recombinant cGAS extracted from Escherichia coli BL21 (DE3) incubated for 3 hrs by rapidfire 365 mass spectrometry analysis
50022240	1	ChEMBL_2491363	Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate
50022241	1	ChEMBL_2491399	Allosteric inhibition of N-terminal His-tagged human recombinant SHP2 extracted from Escherichia coli using DiFMUP as substrate preincubated with compound for 60 mins followed by substrate addition and measured after 30 mins by fluorescence based microplate reader analysis
50022241	2	ChEMBL_2491430	Inhibition of full-length recombinant human SHP2 using fluorogenic 6,8-difluoro-4-methylumbelliferyl phosphate as substrate
50022241	3	ChEMBL_2491431	Inhibition of SHP2 (unknown origin)
50022241	4	ChEMBL_2491432	Inhibition of SHP1 (unknown origin)
50022241	5	ChEMBL_2491433	Inhibition of PTP1B (unknown origin)
50022242	1	ChEMBL_2491442	Inhibition of VEGFR2 (unknown origin) preincubated for 10 mins followed by substrate addition and measured after 50 mins by ADP-glo assay
50022243	1	ChEMBL_2491476	Inhibition of p300 in human OPM-2 cells assessed as reduction in intracellular H3K27Ac activity by Western blot analysis
50022243	2	ChEMBL_2491477	Inhibition of recombinant p300 bromodomain (unknown origin) using H3(44-60)K56Ac-biotinylated peptide as substrate incubated for 120 mins by AlphaLISA
50022243	3	ChEMBL_2491480	Inhibition of BRD2 BD1 (unknown origin) by Alphascreen assay
50022243	4	ChEMBL_2491481	Inhibition of BRD2 BD2 (unknown origin) by Alphascreen assay
50022243	5	ChEMBL_2491482	Inhibition of BRD3 BD1 (unknown origin) by Alphascreen assay
50022243	6	ChEMBL_2491483	Inhibition of BRD3 BD2 (unknown origin) by Alphascreen assay
50022243	7	ChEMBL_2491484	Inhibition of BRD4 BD1 (unknown origin) by Alphascreen assay
50022243	8	ChEMBL_2491485	Inhibition of BRD4 BD2 (unknown origin) by Alphascreen assay
50022243	9	ChEMBL_2491486	Inhibition of BRD4 bromodomain 1 (unknown origin) using H4K5Ac/K8Ac/K12Ac/K16Ac biotinylated peptide as substrate incubated for 30 mins by HTRF assay
50022244	1	ChEMBL_2491527	Inhibition of C-terminal flag-tagged recombinant human ENPP1 (110 to 926 residues) extracted from HEK293F cells using p-Nph-5'-TMP as substrate by absorbance based assay
50022244	2	ChEMBL_2491541	Inhibition of ENPP1 in human MDA-MB-231 cells using p-Nph-5'-TMP as substrate incubated for 15 min by absorbance based analysis
50022244	3	ChEMBL_2491542	Inhibition of N-terminal recombinant mouse ENPP2 (1 to 50 residues) extracted from HEK293F cells using p-Nph-5'-TMP as substrate by absorbance based analysis
50022244	4	ChEMBL_2491543	Inhibition of recombinant human ENPP3 using p-Nph-5'-TMP as substrate by absorbance based analysis
50022245	1	ChEMBL_2491587	Displacement of [3H]NECA from human adenosine A3 receptor extracted from human HeLa cell membrane assessed as inhibition constant incubated for 180 mins by microplate scintillation counter
50022245	2	ChEMBL_2491590	Binding affinity to human adenosine A3 receptor assessed as inhibition constant
50022245	3	ChEMBL_2491591	Displacement of [125I]iodo-AB-MECA from human adenosine A3 receptor expressed in CHO cells assessed as inhibition constant
50022246	1	ChEMBL_2491602	Inhibition of human CSF1R
50022246	2	ChEMBL_2491606	Inhibition of CSF1R in human THP-1 cells assessed as reduction in AKT phosphorylation measured after 4 hrs by Western blot analysis
50022246	3	ChEMBL_2491607	Inhibition of c-Kit (unknown origin)
50022246	4	ChEMBL_2491608	Inhibition of FLT3 (unknown origin)
50022246	5	ChEMBL_2491609	Inhibition of human MERTK by discoverX kinome scan assay
50022246	6	ChEMBL_2491610	Inhibition of VEGFR1 (unknown origin)
50022246	7	ChEMBL_2491611	Inhibition of CSF1R autophosphorylation in mouse RAW264.7 cells measured after 4 hrs by Western blot analysis
50022246	8	ChEMBL_2491612	Inhibition of VEGFR2 (unknown origin)
50022246	9	ChEMBL_2491613	Inhibition of VEGFR3 (unknown origin)
50022246	10	ChEMBL_2491614	Inhibition of wild type FLT3 (unknown origin) phosphorylation in human RS4-11 cells
50022246	11	ChEMBL_2491615	Inhibition of FGFR1 (unknown origin) by trFRET binding assay
50022246	12	ChEMBL_2491616	Inhibition of TRKB (unknown origin) by TR-FRET assay
50022246	13	ChEMBL_2491617	Inhibition of CSF1R in mouse RAW264.7 cells assessed as reduction in AKT phosphorylation measured after 4 hrs by Western blot analysis
50022246	14	ChEMBL_2491620	Inhibition of human CSF1R by discoverX kinome scan assay
50022246	15	ChEMBL_2491621	Inhibition of c-KIT (unknown origin) using TK as substrate incubated for 50 mins in presence of ATP by HTRF method
50022246	16	ChEMBL_2491622	Inhibition of FLT3-ITD mutant phosphorylation in human HEK-293T cells incubated for 2 hrs
50022246	17	ChEMBL_2491624	Inhibition of CSF1R (unknown origin)
50022246	18	ChEMBL_2491626	Inhibition of recombinant FLT1 (unknown origin)
50022246	19	ChEMBL_2491628	Inhibition of CSF1R in mouse RAW264.7 cells assessed as increase in M1 macrophage phenotype measured after 72 hrs by Real-time PCR analysis
50022246	20	ChEMBL_2491632	Inhibition of PDGFRalpha (unknown origin)
50022246	21	ChEMBL_2491633	Inhibition of FGFR1 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50022246	22	ChEMBL_2491634	Inhibition of FGFR2 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50022246	23	ChEMBL_2491635	Inhibition of FGFR3 (unknown origin) using Poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ELISA analysis
50022246	24	ChEMBL_2491636	Inhibition of CSF1R (unknown origin) in presence of ATP by Z-LYTE based FRET assay
50022246	25	ChEMBL_2491638	Binding affinity to CSF1R (unknown origin) assessed as dissociation constant
50022246	26	ChEMBL_2491640	Binding affinity to human FLT3 assessed as dissociation constant
50022246	27	ChEMBL_2491641	Inhibition of KDR (unknown origin) using peptide as substrate incubated for 90 mins in presence of ATP by HTRF method
50022246	28	ChEMBL_2491642	Inhibition of c-RAF (unknown origin)
50022246	29	ChEMBL_2491643	Inhibition of LCK (unknown origin)
50022246	30	ChEMBL_2491644	Inhibition of recombinant N-terminal GST tagged FGFR1 (398 to 822 residues) (unknown origin) expressed in Sf21 cells using biotinylated PYK2 peptide (biotin-AGAGSIESDIYAEIPDETC-NH2) as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by AlphaScreen assay
50022246	31	ChEMBL_2491645	Inhibition of recombinant N-terminal GST tagged FGFR2 (399 to 821 residues) (unknown origin) expressed in Sf21 cells using biotinylated PYK2 peptide (biotin-AGAGSIESDIYAEIPDETC-NH2) as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by AlphaScreen assay
50022246	32	ChEMBL_2491646	Inhibition of recombinant N-terminal GST tagged FGFR3 (436 to 806 residues) (unknown origin) expressed in Sf21 cells using biotinylated PYK2 peptide (biotin-AGAGSIESDIYAEIPDETC-NH2) as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by AlphaScreen assay
50022246	33	ChEMBL_2491648	Inhibition of CSF1R (unknown origin) preincubated for 60 mins measured after 1 hr by ADP-Glo assay
50022246	34	ChEMBL_2491649	Inhibition of KDR (unknown origin)
50022246	35	ChEMBL_2491650	Inhibition of human recombinant SIK2
50022246	36	ChEMBL_2491657	Inhibition of CSF1R in mouse BMDM cells
50022246	37	ChEMBL_2491658	Inhibition of PDGFRbeta (unknown origin)
50022246	38	ChEMBL_2491659	Inhibition of human VEGFR2 in presence of ATP by mobility shift assay
50022248	1	ChEMBL_2491662	Inhibition of recombinant wild type EGFR L858R/T790M/C797S triple mutant (unknown origin) using polyE4Y1 as substrate incubated for 5 mins with compound followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo reagent based assay
50022248	2	ChEMBL_2491663	Inhibition of recombinant wild type EGFR (unknown origin)
50022248	3	ChEMBL_2491667	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin)
50022248	4	ChEMBL_2491668	Inhibition of wild type EGFR (unknown origin)
50022248	5	ChEMBL_2491677	Inhibition of recombinant human wild type EGFR
50022248	6	ChEMBL_2491678	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system measured after 2 hrs by ELISA method
50022248	7	ChEMBL_2491682	Inhibition of wild type EGFR L858R/T790M/C797S triple mutant (unknown origin) phosphorylation expressed in mouse BaF3 cells by HTRF assay
50022248	8	ChEMBL_2491687	Inhibition of wild type EGFR (unknown origin) by ELISA analysis
50022248	9	ChEMBL_2491689	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) using TK-substrate preincubated with enzyme for 30 mins followed by substrate for 10 mins by HTRF assay
50022249	1	ChEMBL_2491696	Inhibition of recombinant PDE7A1 (130 to 482 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using [3H]cAMP as substrate incubated for 15 mins by liquid scintillation method
50022249	2	ChEMBL_2491697	Inhibition of PDE7B (unknown origin) by 3H-cAMP scintillation proximity assay
50022249	3	ChEMBL_2491701	Inhibition of PDE7A (unknown origin)
50022249	4	ChEMBL_2491702	Inhibition of full length PDE7 (unknown origin) using FAM-cAMP as substrate by fluorescence based analysis
50022249	5	ChEMBL_2491703	Inhibition of human recombinant PDE3 expressed in Escherichia coli
50022249	6	ChEMBL_2491704	Inhibition of GSK-3beta (unknown origin)
50022249	7	ChEMBL_2491705	Inhibition of human PDE4D3
50022249	8	ChEMBL_2491706	Inhibition of PDE7 (unknown origin) by fluorescent based assay
50022249	9	ChEMBL_2491707	Inhibition of PDE7 (unknown origin)
50022249	10	ChEMBL_2491708	Inhibition of PDE4 (unknown origin) by fluorescent based assay
50022249	11	ChEMBL_2491712	Inhibition of recombinant PDE7 (unknown origin) expressed in Escherichia coli BL21 (DE3) using [3H]cAMP as substrate preincubated for 15 mins followed by compound addition and incubated for 1 hr by liquid scintillation method
50022249	12	ChEMBL_2491713	Inhibition of human recombinant PDE4
50022249	13	ChEMBL_2491714	Inhibition of recombinant PDE7A1 (unknown origin) expressed in Escherichia coli BL21 using [3H]cAMP as substrate preincubated for 15 mins followed by compound addition and measured after 1 hr by liquid scintillation method
50022249	14	ChEMBL_2491718	Inhibition of PDE4A1 (unknown origin)
50022249	15	ChEMBL_2491719	Inhibition of PDE4B1 (unknown origin)
50022249	16	ChEMBL_2491720	Inhibition of GSK3beta (unknown origin) activity assessed as fluorescence intensity by ADP-Glo Kinase Assay
50022250	1	ChEMBL_2491723	Inhibition of human recombinant MAO-B
50022252	1	ChEMBL_2491796	Inhibition of human USP8 expressed in Escherichia coli using K63-linked di-ubiquitin (ENZO BML-UW0730-0050) as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins by fluorescence based analysis
50022252	2	ChEMBL_2491801	Inhibition of human recombinant HSP90alpha expressed in Escherichia coli BL21 (DE3) incubated for 12 hrs by
50022252	3	ChEMBL_2491802	Inhibition of human recombinant HSP90beta expressed in Escherichia coli BL21 (DE3) incubated for 12 hrs
50022252	4	ChEMBL_2491809	Inhibition of FLT3 D835H mutant (unknown origin)
50022252	5	ChEMBL_2491810	Inhibition of CDK4 (unknown origin)
50022252	6	ChEMBL_2491858	Inhibition of VEGFR1 (unknown origin)
50022252	7	ChEMBL_2491859	Inhibition of VEGFR2 (unknown origin)
50022253	1	ChEMBL_2491885	Antagonist activity at androgen receptor in human PC-3 cells assessed as inhibition of R1881-induced luciferase expression incubated for 24 hrs by firefly/renilla dual luciferase assay
50022254	1	ChEMBL_2491979	Inhibition of BTK (unknown origin)
50022254	2	ChEMBL_2491982	Inhibition of JAK1 (unknown origin)
50022254	3	ChEMBL_2491983	Inhibition of JAK2 (unknown origin)
50022254	4	ChEMBL_2491984	Binding affinity to CRBN (unknown origin) assessed as dissociation constant
50022254	5	ChEMBL_2491986	Binding affinity to 20s proteasome beta5 site (unknown origin) mediated chymotrypsin-like activity assessed as inhibition constant
50022254	6	ChEMBL_2491987	Inhibition of 20s proteasome beta5 site (unknown origin) mediated chymotrypsin-like activity
50022254	7	ChEMBL_2491993	Inhibition of CXCL12 (unknown origin) mediated chemotaxis
50022254	8	ChEMBL_2491997	Inhibition of IKKA (unknown origin)
50022254	9	ChEMBL_2491998	Inhibition of IKKB (unknown origin)
50022255	1	ChEMBL_2491999	Inhibition of wild-type ROS1 (unknown origin)
50022255	2	ChEMBL_2492000	Inhibition of ALK (unknown origin) incubated for 1 hr by HTRF assay
50022255	3	ChEMBL_2492001	Inhibition of ROS1 (unknown origin) incubated for 1 hr by HTRF assay
50022255	4	ChEMBL_2492002	Inhibition of ROS1 (unknown origin)
50022255	5	ChEMBL_2492003	Inhibition of wild-type ALK (unknown origin)
50022255	6	ChEMBL_2492004	Inhibition of ALK L1196M mutant (unknown origin)
50022255	7	ChEMBL_2492005	Inhibition of wild type ROS1 (unknown origin) expressed in BaF3 cells incubated for 4 hrs
50022255	8	ChEMBL_2492006	Inhibition of ROS1 G2032R mutant (unknown origin) expressed in BaF3 cells incubated for 4 hrs
50022255	9	ChEMBL_2492007	Inhibition of wild type ALK (unknown origin) expressed in BaF3 cells incubated for 4 hrs
50022255	10	ChEMBL_2492008	Inhibition of ALK G1202R mutant (unknown origin) expressed in BaF3 cells incubated for 4 hrs
50022255	11	ChEMBL_2492012	Inhibition of human ALK preincubated for 5 to 10 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50022255	12	ChEMBL_2492013	Inhibition of recombinant human ROS1 preincubated for 5 to 10 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50022255	13	ChEMBL_2492014	Inhibition of human ALK L1196M/G1202R double mutant preincubated for 5 to 10 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50022255	14	ChEMBL_2492015	Inhibition of recombinant human ROS1 G2032R mutant preincubated for 5 to 10 mins followed by substrate and ATP addition and measured after 60 mins by TR-FRET assay
50022255	15	ChEMBL_2492018	Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate incubated for 120 mins in presence of [gamma-33P]-ATP
50022255	16	ChEMBL_2492019	Inhibition of human ROS1 G2032R mutant using KKKSPGEYVNIEFG as substrate incubated for 120 mins in presence of [gamma-33P]-ATP
50022255	17	ChEMBL_2492020	Inhibition of human ALK5 using Casein as substrate incubated for 120 mins in presence of [gamma-33P]-ATP
50022258	1	ChEMBL_2492066	Inhibition of VEGFR2 (unknown origin) using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr in presence of ATP by ADP-Glo based luminescence assay
50022260	1	ChEMBL_2492204	Inhibition of PKM2 (unknown origin) by ITC analysis
50022260	2	ChEMBL_2492205	Inhibition of N-terminal his8-tagged PKM2 (unknown origin)
50022260	3	ChEMBL_2492206	Inhibition of N-terminal his8-tagged PKM2 (unknown origin) in presence of FBP by Michaelis-menten analysis
50022261	1	ChEMBL_2492304	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by DTNB reagent based Ellman's method
50022261	2	ChEMBL_2492305	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 20 mins by DTNB reagent based Ellman's method
50022261	3	ChEMBL_2492307	Inhibition of electric eel AChE incubated overnight by two fold serial dilution method
50022261	4	ChEMBL_2492310	Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis
50022262	1	ChEMBL_2492321	Inhibition of human recombinant COX1 by fluorometric assay
50022262	2	ChEMBL_2492322	Inhibition of human recombinant COX2 by fluorometric assay
50022263	1	ChEMBL_2492430	Inhibition of c-Met (unknown origin)
50022263	2	ChEMBL_2492431	Inhibition of VEGFR2 (unknown origin)
50022263	3	ChEMBL_2492432	Inhibition of Flt3 (unknown origin)
50022263	4	ChEMBL_2492433	Inhibition of c-Kit (unknown origin)
50022263	5	ChEMBL_2492434	Inhibition of MEK1 (unknown origin)
50022264	1	ChEMBL_2492476	Antagonist activity at ROR-gamma LBD (unknown origin) using biotinylated SRC1-2 as substrate preincubated for 60 mins followed by substrate addition measured after 30 mins by HTRF assay
50022264	2	ChEMBL_2492477	Binding affinity to ROR-gamma LBD (unknown origin) assessed as dissociation constant by ITC analysis
50022264	3	ChEMBL_2492480	Binding affinity to CM5 chip-immobilized recombinant ROR-gamma LBD (unknown origin) assessed as dissociation constant by SPR analysis
50022265	1	ChEMBL_2492578	Binding affinity to drug-resistant HIV-1 protease I84V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using a EDANS/DABCYL FRET-peptide substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorogenic assay
50022265	2	ChEMBL_2492579	Binding affinity to drug-resistant HIV-1 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells assessed as inhibition constant using a EDANS/DABCYL FRET-peptide substrate preincubated for 1 hr followed by substrate addition measured after 1 hr by fluorogenic assay
50022266	1	ChEMBL_2492607	Binding affinity to sigma 2 receptor in rat PC12 cells assessed as inhibition constant
50022266	2	ChEMBL_2492608	Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain assessed as inhibition constant by competition binding assay
50022266	3	ChEMBL_2492609	Displacement of [3H](+)-pentazocine from sigma 1 receptor in HEK293 cells assessed as inhibition constant by radioligand competition binding assay
50022266	4	ChEMBL_2492610	Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor transfected in human HEK293T cells assessed as inhibition constant in presence of (+)-pentazocine by radioligand competition binding assay
50022266	5	ChEMBL_2492611	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50022266	6	ChEMBL_2492612	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50022267	1	ChEMBL_2492613	Displacement of [3H]-SB-222200 from recombinant human NK3R expressed in CHO-K1 cells membrane incubated for 2 hrs by microbeta scintillation counting method
50022268	1	ChEMBL_2492651	Inhibition of recombinant SARS-CoV-2 3CLpro using Dacyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 10 mins followed by substrate addition measured for 5 mins by FRET assay
50022269	1	ChEMBL_2492653	Inhibition of recombinant full-length LSD1 (unknown origin) expressed in Escherichia coli BL21(DE) cells using H3K4me2 peptide as substrate incubated for 0.5 hrs by Amplex Red assay
50022270	1	ChEMBL_2492719	Inhibition of Leishmania amazonensis Arginase
50022270	2	ChEMBL_2492720	Inhibition of Leishmania amazonensis Arginase assessed as inhibition constant
50022270	3	ChEMBL_2492734	Inhibition of Leishmania donovani Trypanothione reductase
50022270	4	ChEMBL_2492746	Inhibition of Leishmania donovani DNA topoisomerase I
50022271	1	ChEMBL_2492759	Inhibition of wild type full length N-terminal his-tagged PIM1 (1 to 313 residues) (unknown origin) expressed in Sf21 insect cells using STK3 as substrate incubated for 30 mins by HTRF assay
50022271	2	ChEMBL_2492761	Inhibition of N-terminal GST-tagged PIM2 (1 to 311 residues) (unknown origin) expressed in Sf21 insect cells using STK3 as substrate incubated for 30 mins
50022271	3	ChEMBL_2492762	Inhibition of wild type N-terminal GST-tagged PIM3 (1 to 326 residues) (unknown origin) expressed in Sf21 insect cells using STK3 as substrate incubated for 30 mins
50022272	1	ChEMBL_2492825	Agonist activity at rat TRPA1 expressed in HEK293 cells
50022272	2	ChEMBL_2492826	Inhibition of TRPA1 (unknown origin)
50022272	3	ChEMBL_2492827	Antagonist activity at TRPA1 (unknown origin) expressed in HEK293T cells assessed as inhibition of agonist induced channel current by whole-cell patch clamp analysis
50022272	4	ChEMBL_2492828	Antagonist activity at mouse TRPA1 expressed in HEK293F cells as increase in Ca2+ influx by FLIPR calcium assay
50022272	5	ChEMBL_2492829	Agonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium accumulation by Fluo4-AM based assay
50022272	6	ChEMBL_2492830	Agonist activity at TRPA1 (unknown origin)
50022272	7	ChEMBL_2492831	Agonist activity at rat TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022272	8	ChEMBL_2492832	Inhibition of TRPV1 (unknown origin)
50022272	9	ChEMBL_2492833	Inhibition of human PDE4B by luminescence assay
50022272	10	ChEMBL_2492834	Inhibition of PDE7A (unknown origin)
50022272	11	ChEMBL_2492835	Agonist activity at full length mouse TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022272	12	ChEMBL_2492836	Agonist activity at human recombinant TRPV1 over expressed in HEK293 cells assessed as increase in intracellular calcium level by measuring efficacy by Fluo4-AM based assay
50022272	13	ChEMBL_2492837	Antagonist activity at human recombinant TRPA1 transfected in HEK293T cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022273	1	ChEMBL_2492889	Inhibition of HDAC1 derived from human HeLa cell extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate by fluorescence based assay
50022273	2	ChEMBL_2492890	Inhibition of HDAC2 derived from human HeLa cell extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate by fluorescence based assay
50022273	3	ChEMBL_2492891	Inhibition of HDAC3 derived from human HeLa cell extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate by fluorescence based assay
50022273	4	ChEMBL_2492892	Inhibition of HDAC6 derived from human HeLa cell extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate by fluorescence based assay
50022273	5	ChEMBL_2492893	Inhibition of HDAC7 derived from human HeLa cell extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate by fluorescence based assay
50022274	1	ChEMBL_2493014	Inhibition of VEGFR-2 (unknown origin) using myelin basic protein as substrate incubated for 40 mins in presence of gamma-[33P]ATP by scintillation counting method
50022274	2	ChEMBL_2493015	Inhibition of VEGFR-2 (unknown origin)
50022274	3	ChEMBL_2493016	Inhibition of recombinant human VEGFR2 using Poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr by ELISA
50022274	4	ChEMBL_2493017	Inhibition of recombinant human PDGFRbeta using Poly (Glu,Tyr) 4:1 as substrate incubated for 1 hr by ELISA
50022274	5	ChEMBL_2493018	Inhibition of c-MET (unknown origin)
50022274	6	ChEMBL_2493021	Inhibition of mouse VEGFR-2 (785 to 1367 residues)
50022274	7	ChEMBL_2493022	Inhibition of mouse VEGFR-3 (818 to 1363 residues)
50022274	8	ChEMBL_2493024	Inhibition of recombinant KIT (544 to 976 residues) (unknown origin)
50022274	9	ChEMBL_2493025	Inhibition of recombinant RET (unknown origin)
50022274	10	ChEMBL_2493026	Inhibition of recombinant Raf-1 (305 to 648 residues) (unknown origin)
50022274	11	ChEMBL_2493027	Inhibition of VEGFR-1 (unknown origin)
50022274	12	ChEMBL_2493028	Inhibition of VEGFR-2 (unknown origin) expressed in PAE cells assessed as reduction in VEGFA induced protein phosphorylation preincubated for 1 hr followed by VEGFA stimulation for 5 to 10 mins by ELISA
50022274	13	ChEMBL_2493029	Inhibition of PDGFRbeta (unknown origin) expressed in PAE cells assessed as reduction in PDGF-BB induced protein phosphorylation preincubated for 1 hr followed by PDGF-BB stimulation for 5 to 10 mins by ELISA
50022274	14	ChEMBL_2493030	Inhibition of KIT (unknown origin) expressed in PAE cells assessed as reduction in SCF induced protein phosphorylation preincubated for 1 hr followed by SCF stimulation for 5 to 10 mins by ELISA
50022275	1	ChEMBL_2493034	Inhibition of C-terminal truncated Trypanosoma cruzi Tulahuen Cruzain using Z-FR-AMC as substrate measured for 5 mins by fluorescence based analysis
50022275	2	ChEMBL_2493036	Competitive inhibition of C-terminal truncated Trypanosoma cruzi Tulahuen Cruzain using Z-FR-AMC as substrate by Michaelis-menten based analysis
50022276	1	ChEMBL_2493120	Inhibition of bovine XO assessed as inhibition of uric acid production using xanthine as substrate preincubated for 25 mins followed by substrate addition and measured for first 2 mins by spectrophotometric analysis
50022277	1	ChEMBL_2493206	Binding affinity to human recombinant CD73 assessed as inhibition constant
50022277	2	ChEMBL_2493207	Inhibition of C-terminal 6His-tagged human recombinant CD73 expressed in CHO cells incubated for 1 hr by malachite green based spectrophotometer assay
50022277	3	ChEMBL_2493208	Inhibition of human recombinant CD73 (27 to 549 residues) expressed in Sf9 cells
50022277	4	ChEMBL_2493209	Inhibition of human CD73 expressed in A-375 cells incubated for 15 mins by malachite green based spectrophotometer assay
50022277	5	ChEMBL_2493211	Inhibition of human recombinant CD73
50022277	6	ChEMBL_2493212	Binding affinity to human recombinant CD73 expressed in Sf9 cells assessed as inhibition constant by malachite green based spectrophotometer assay
50022277	7	ChEMBL_2493213	Binding affinity to human recombinant CD79 expressed in Sf9 cells assessed as inhibition constant by malachite green based spectrophotometer assay
50022277	8	ChEMBL_2493214	Binding affinity to human NPP1 expressed in Sf9 cells assessed as inhibition constant
50022277	9	ChEMBL_2493215	Binding affinity to CD73 (unknown origin) assessed as inhibition constant
50022277	10	ChEMBL_2493216	Inhibition of CD73 (unknown origin)
50022278	1	ChEMBL_2493265	Inhibition of CDK7/cyclin H (unknown origin) by ADP-Glo assay
50022278	2	ChEMBL_2493266	Inhibition of CDK9/cyclin K (unknown origin) by ADP-Glo assay
50022278	3	ChEMBL_2493267	Inhibition of CDK9/cyclin T1 (unknown origin) by ADP-Glo assay
50022279	1	ChEMBL_2493311	Inhibition of human recombinant CYP1B1 assessed as fluorescence of resorufin
50022279	2	ChEMBL_2493321	Inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed estradiol hydroxylation in living cells by measuring residual activity
50022279	3	ChEMBL_2493322	Competitive inhibition of human CYP1B1 overexpressed in CHO cells assessed as protein catalyzed 7-ER O-deethylation by kinetic analysis
50022279	4	ChEMBL_2493327	Inhibition of human CYP1B1 in human liver microsomes by LC-MS/MS analysis
50022280	1	ChEMBL_2493355	Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 30 mins by spectrofluorometer analysis
50022280	2	ChEMBL_2493356	Inhibition of Plasmodium falciparum FP3 using Z-Leu-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition and measured for 30 mins by spectrofluorometer analysis
50022281	1	ChEMBL_2493467	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50022281	2	ChEMBL_2493468	Inhibition of N-terminal FLAG-tagged recombinant human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate incubated for 30 mins in presence of ATP by LANCE ultra assay
50022281	3	ChEMBL_2493469	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50022281	4	ChEMBL_2493470	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50022281	5	ChEMBL_2493471	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50022282	1	ChEMBL_2493531	Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant
50022282	2	ChEMBL_2493536	Inhibition of SARS-CoV-2 MPro
50022283	1	ChEMBL_2493537	Inhibition of human Nav1.3 expressed in CHO cells under resting state by automated patch clamp electrophysiology analysis
50022283	2	ChEMBL_2493538	Inhibition of human Nav1.3 expressed in CHO cells under inactivated state by automated patch clamp electrophysiology analysis
50022283	3	ChEMBL_2493540	Inhibition of human Nav1.5 expressed in CHO cells under tonic pulse 1 by automated patch clamp electrophysiology analysis
50022283	4	ChEMBL_2493541	Inhibition of human Nav1.5 expressed in CHO cells under phasic pulse 1 by automated patch clamp electrophysiology analysis
50022283	5	ChEMBL_2493542	Inhibition of human Nav1.7 expressed in CHO cells under resting state by automated patch clamp electrophysiology analysis
50022283	6	ChEMBL_2493543	Inhibition of human Nav1.7 expressed in CHO cells under inactivated state by automated patch clamp electrophysiology analysis
50022283	7	ChEMBL_2493545	Inhibition of human Nav1.5 expressed in CHO cells under resting state by automated patch clamp electrophysiology analysis
50022283	8	ChEMBL_2493546	Inhibition of human Nav1.5 expressed in CHO cells under inactivated state by automated patch clamp electrophysiology analysis
50022284	1	ChEMBL_2493626	Agonist activity at human PPARgamma
50022284	2	ChEMBL_2493631	Inverse agonist activity at RORgamma (unknown origin) incubated for 15 mins by HTRF method
50022284	3	ChEMBL_2493633	Inverse agonist activity at human his 6 tagged PPARgammaLBD incubated for 60 mins by TR-FRET assay
50022284	4	ChEMBL_2493634	Inhibition of RORgamma (unknown origin) incubated for 1 hr by TR-FRET method
50022284	5	ChEMBL_2493635	Inverse agonist activity at human N-terminal his 6 tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 60 mins by TR-FRET assay
50022284	6	ChEMBL_2493637	Inverse agonist activity at human his 6 tagged RORalpha LBD incubated for 60 mins by TR-FRET assay
50022285	1	ChEMBL_2493724	Inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by spectrophotometer analysis
50022285	2	ChEMBL_2493731	Inhibition of Mycobacterium tuberculosis H37Rv ptpA expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by spectrophotometer analysis
50022285	3	ChEMBL_2493746	Inhibition of Mycobacterium tuberculosis H37Rv ptpB using pNPP as substrate preincubated for 10 mins followed by substrate addition and measured for 5 mins by spectrophotometer analysis
50022285	4	ChEMBL_2493747	Inhibition of Mycobacterium tuberculosis ptpB
50022286	1	ChEMBL_2493850	Inhibition of CHIKV nsP2 protease activity assessed as decrease in the fluorescence signal using peptide substrate measured for 20 mins by FRET analysis
50022286	2	ChEMBL_2493852	Binding affinity to CHIKV nsP2 assessed as inhibition constant by measuring fluorescence by multimode microplate reader
50022286	3	ChEMBL_2493853	Binding affinity to CHIKV nsP2 assessed as equilibrium dissociation constant by isothermal titration calorimetry
50022287	1	ChEMBL_2493908	Inhibition of human recombinant 17beta-HSD10 expressed in bacterial expression system assessed as decrease in NADH using acetoacetyl-CoA as substrate
50022287	2	ChEMBL_2493915	Inhibition of recombinant 17beta-HSD10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as residual activity using acetoacetyl-CoA as substrate by SAAC method
50022287	3	ChEMBL_2493919	Inhibition of pig brain mitochondrial MAO-A using [3H]5-HT as substrate incubated for 60 mins by liquid scintillation counting analysis
50022287	4	ChEMBL_2493920	Inhibition of pig brain mitochondrial MAO-B using [14C]PEA as substrate incubated for 60 mins by liquid scintillation counting analysis
50022288	1	ChEMBL_2493963	Inhibition of full length wild type recombinant human IRS-1 peptide activated SHP2 (1 to 525 residues) using DIPMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022288	2	ChEMBL_2493964	Inhibition of full length wild type recombinant human SHP2 (1 to 525 residues) using DIPMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022288	3	ChEMBL_2493965	Inhibition of full length recombinant human SHP2 E76K mutant (1 to 525 residues) using DIPMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022288	4	ChEMBL_2493967	Inhibition of recombinant human SHP2 PTPase activity (219 to 525 residues) using DIPMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022288	5	ChEMBL_2493968	Inhibition of full length recombinant human SHP1 (1 to 570 residues) using DIPMUP as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022290	1	ChEMBL_2494132	Inhibition of DPP4 (unknown origin)
50022290	2	ChEMBL_2494134	Inhibition of alpha-amylase (unknown origin)
50022290	3	ChEMBL_2494135	Inhibition of PTP1B (unknown origin)
50022290	4	ChEMBL_2494136	Inhibition of human DPP4 using Gly-Pro-NA as substrate incubated for 30 mins by absorbance based assay
50022290	5	ChEMBL_2494137	Inhibition of PTP1B (unknown origin) using p-NPP as substrate incubated for 30 mins by absorbance based assay
50022290	6	ChEMBL_2494138	Inhibition of alpha-amylase (unknown origin) using starch as substrate preincubated for 20 mins followed by substrate addition measured after 30 mins by absorbance based assay
50022291	1	ChEMBL_2494202	Inhibition of wild type HIV-1 reverse transcriptase
50022292	1	ChEMBL_2494223	Activation of Cisd2 (unknown origin) transfected in HEK293 cells incubated for 24 hrs by one-glo luciferase assay
50022293	1	ChEMBL_2494249	Inhibition of HDAC1 (unknown origin)
50022293	2	ChEMBL_2494251	Inhibition of human HDAC1
50022293	3	ChEMBL_2494254	Inhibition of HDAC3 (unknown origin)
50022293	4	ChEMBL_2494255	Inhibition of HDAC6 (unknown origin)
50022293	5	ChEMBL_2494258	Inhibition of HDAC1 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50022293	6	ChEMBL_2494259	Inhibition of HDAC2 (unknown origin) using Fluor de lys as substrate by fluorescence based analysis
50022293	7	ChEMBL_2494260	Inhibition of C-terminal FLAG-tagged human recombinant HDAC1 expressed in baculovirus by HTRF method
50022293	8	ChEMBL_2494261	Inhibition of N-terminal FLAG-tagged full length human recombinant HDAC6 expressed in baculovirus
50022293	9	ChEMBL_2494262	Inhibition of C-terminal FLAG-tagged full length human recombinant HDAC2 expressed in Sf9 cells by HTRF method
50022293	10	ChEMBL_2494264	Inhibition of C-terminal FLAG-tagged full length human recombinant HDAC8 expressed in baculovirus
50022293	11	ChEMBL_2494265	Inhibition of human HDAC6
50022293	12	ChEMBL_2494267	Inhibition of N-terminal GST-tagged recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by compound addition and measured after 1 hr by fluorescence based assay
50022293	13	ChEMBL_2494268	Inhibition of human recombinant HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 30 mins followed by compound addition and measured after 1 hr by fluorescence based assay
50022293	14	ChEMBL_2494271	Inhibition of full length human recombinant HDAC8 (379 to 382 residues) expressed in baculovirus infected Sf9 insect cells using (RHK(Ac)K(Ac)AMC) as a fluorogenic susbstrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50022293	15	ChEMBL_2494272	Inhibition of full length human recombinant HDAC1 (379 to 382 residues) expressed in baculovirus infected Sf9 insect cells using (RHKK(Ac)AMC) as a fluorogenic susbstrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50022293	16	ChEMBL_2494273	Inhibition of full length human recombinant HDAC6 (379 to 382 residues) expressed in baculovirus infected Sf9 insect cells using (RHKK(Ac)AMC) as a fluorogenic susbstrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by fluorescence based analysis
50022294	1	ChEMBL_2494278	Inhibition of N-terminal His-tagged SSH2 catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells
50022294	2	ChEMBL_2494279	Inhibition of N-terminal His-tagged PTPN5 catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells
50022294	3	ChEMBL_2494280	Inhibition of N-terminal His-tagged PTPN12 catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells
50022294	4	ChEMBL_2494281	Inhibition of N-terminal His-tagged PTP1B catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells
50022294	5	ChEMBL_2494282	Inhibition of N-terminal His-tagged LYP catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate by absorbance based plate reader analysis
50022294	6	ChEMBL_2494284	Competitive inhibition of N-terminal His-tagged LYP catalytic domain (1 to 294 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate assessed as inhibition constant by Lineweaver-Burk plot analysis
50022296	1	ChEMBL_2494370	Inhibition of wildtype EGFR (unknown origin) incubated for 60 mins in presence of ATP by biochemical enzymatic assay
50022296	2	ChEMBL_2494371	Inhibition of GST-tagged recombinant human EGFR T790M/L858R mutant (668 to 1210 residues) expressed in Insect cells incubated for 60 mins in presence of ATP by biochemical enzymatic assay
50022296	3	ChEMBL_2494420	Inhibition of FAK (unknown origin)
50022297	1	ChEMBL_2494526	Displacement of fluorescein conjugated HA from human CD44 expressed in HEK293 cells incubated for 1 hr by competitive binding assay
50022298	1	ChEMBL_2494528	Displacement of [3H]DAMGO from human cloned mu-opioid receptor expressed in CHO cell membrane by liquid scintillation counting
50022298	2	ChEMBL_2494529	Displacement of [3H]DPDPE from human cloned delta-opioid receptor expressed in CHO cell membrane by liquid scintillation counting
50022298	3	ChEMBL_2494530	Displacement of [3H]U69593 from human cloned kappa-opioid receptor expressed in CHO cell membrane by liquid scintillation counting
50022298	4	ChEMBL_2494533	Binding affinity to mu-opioid receptor (unknown origin)
50022298	5	ChEMBL_2494534	Binding affinity to delta-opioid receptor (unknown origin)
50022298	6	ChEMBL_2494535	Binding affinity to kappa-opioid receptor (unknown origin)
50022299	1	ChEMBL_2494608	Agonist activity at full length ERR-alpha (unknown origin)
50022299	2	ChEMBL_2494609	Agonist activity at full length ERR-beta (unknown origin)
50022299	3	ChEMBL_2494610	Agonist activity at full length ERR-gamma (unknown origin)
50022299	4	ChEMBL_2494615	Agonist activity at ERR-gamma (unknown origin) expressed in HEK293 cells co-transfected with luciferase reporter plasmid incubated for 24 hrs by one-glo luciferase reporter assay
50022299	5	ChEMBL_2494617	Agonist activity at ERR-alpha (unknown origin) expressed in HEK293 cells co-transfected with luciferase reporter plasmid incubated for 24 hrs by one-glo luciferase reporter assay
50022299	6	ChEMBL_2494620	Agonist activity at ERR-beta (unknown origin) expressed in HEK293 cells co-transfected with luciferase reporter plasmid incubated for 24 hrs by one-glo luciferase reporter assay
50022300	1	ChEMBL_2494760	Binding affinity to ZIKV RdRP by SPR assay
50022301	1	ChEMBL_2494764	Inhibition of PAD4 (unknown origin) using BAEE as substrate by colorimetric analysis
50022302	1	ChEMBL_2494849	Binding affinity to C-terminal GFP-tagged Grin1 NMDA receptor (unknown origin) expressed in HEK293F cells assessed as dissociation constant by MST assay
50022302	2	ChEMBL_2494850	Binding affinity to C-terminal GFP-tagged NMDA Grin1.M mutant (unknown origin) expressed in HEK293F cells assessed as dissociation constant by MST assay
50022305	1	ChEMBL_2494852	Inhibition of Syk (unknown origin) preincubated for 20 mins followed by 33P-gamma-ATP measured after 120 mins by HotSpot assay
50022306	1	ChEMBL_2494879	Inhibition of Mycobacterium tuberculosis EthR by SPR assay
50022306	2	ChEMBL_2494890	Inhibition of Mycobacterium tuberculosis InhA
50022306	3	ChEMBL_2494891	Binding affinity to Mycobacterium tuberculosis InhA assessed as dissociation constant
50022306	4	ChEMBL_2494895	Inhibition of Mycobacterium tuberculosis DHFR
50022306	5	ChEMBL_2494897	Binding affinity to Mycobacterium tuberculosis DHFR assessed as dissociation constant
50022307	1	ChEMBL_2494903	Inhibition of PRMT5 (unknown origin)
50022307	2	ChEMBL_2494904	Inhibition of PRMT1 (unknown origin)
50022307	3	ChEMBL_2494905	Inhibition of PRMT4 (unknown origin)
50022308	1	ChEMBL_2494936	Inhibition of human TS incubated for 5 mins by UV-spectrophotometry analysis
50022309	1	ChEMBL_2495056	Inhibition of FGFR1 (unknown origin)
50022309	2	ChEMBL_2495057	Inhibition of FGFR4 (445 to 753 residues) (unknown origin) expressed in Escherichia coli
50022309	3	ChEMBL_2495060	Inhibition of FGFR2 (unknown origin)
50022309	4	ChEMBL_2495061	Inhibition of FGFR3 (unknown origin)
50022311	1	ChEMBL_2495119	Inhibition of FLT3 (unknown origin)
50022311	2	ChEMBL_2495358	Inhibition of FLT3-ITD mutant (unknown origin)
50022311	3	ChEMBL_2495390	Inhibition of BMX (unknown origin)
50022312	1	ChEMBL_2495397	Displacement of [3H]-Diprenorphine from human MOR expressed in CHO-K1 cell membrane assessed as inhibition constant
50022312	2	ChEMBL_2495398	Displacement of [3H]-Nociceptin from human NOP receptor expressed in CHO-K1 cell membrane assessed as inhibition constant
50022313	1	ChEMBL_2495551	Inhibition of N-terminal 6his tagged human VHL (1 to 213 residues)/ElonginC/ElonginB expressed in Escherichia coli BL21 (DE3) using (FAM)-labeled HIF-1alpha peptide as substrate incubated for 2 hrs by fluorescence polarization assay
50022313	2	ChEMBL_2495552	Inhibition of N-terminal 6his tagged human VHL (1 to 213 residues) expressed in HEK293 cells using NanoBRET NanoGlo substrate by NanoBRET assay
50022314	1	ChEMBL_2495561	Inhibition of N-terminal GST-his6 tagged human recombinant ALK2 (145 to 509 residues) expressed in Sf9 insect cells in presence of ATP by ADP-glo assay
50022314	2	ChEMBL_2495562	Inhibition of N-terminal GST-his6 tagged human recombinant ALK5 (200 to 503 residues) expressed in Sf9 insect cells in presence of ATP by ADP-glo assay
50022314	3	ChEMBL_2495564	Inhibition of ALK2 in human HEK293 cells using NanoGlo as substrate incubated for 2 hrs by NanoBRET assay
50022314	4	ChEMBL_2495565	Inhibition of ALK5 (unknown origin) transfected in human HEK293 cells cotransfected with CAGA reporter encoding luciferase by Dual luciferase reporter gene assay
50022314	5	ChEMBL_2495567	Inhibition of human ALK4 (150 to end residues) incubated for 40 mins in presence of ATP by scintillation based radiometric LeadHunter assay
50022315	1	ChEMBL_2495603	Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	2	ChEMBL_2495604	Inhibition of IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using 2OG as substrate preincubated with compound for 2 hrs followed by substrate addition and measured after 1 hrs by spectrophotometric analysis
50022315	3	ChEMBL_2495606	Inhibition of human recombinant wildtype IDH1
50022315	4	ChEMBL_2495607	Inhibition of human IDH1 R132H mutant
50022315	5	ChEMBL_2495608	Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cells
50022315	6	ChEMBL_2495609	Inhibition of IDH2 R140Q mutant (unknown origin) in the presence of NADPH by fluorescence based analysis
50022315	7	ChEMBL_2495610	Inhibition of wildtype IDH2 (unknown origin)
50022315	8	ChEMBL_2495611	Inhibition of wild type IDH1 (unknown origin)
50022315	9	ChEMBL_2495612	Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coli
50022315	10	ChEMBL_2495613	Inhibition of human recombinant IDH1 R132C mutant expressed in Escherichia coli
50022315	11	ChEMBL_2495618	Inhibition of IDH1 R132H mutant (unknown origin) by enzymatic assay
50022315	12	ChEMBL_2495619	Inhibition of IDH2 R172K mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) measured after 60 mins
50022315	13	ChEMBL_2495621	Inhibition of wildtype IDH2 R172K mutant (unknown origin)
50022315	14	ChEMBL_2495629	Inhibition of IDH1 R132H mutant (unknown origin)
50022315	15	ChEMBL_2495630	Inhibition of IDH1 R132C mutant (unknown origin)
50022315	16	ChEMBL_2495631	Inhibition of IDH2 R140Q mutant (unknown origin)
50022315	17	ChEMBL_2495632	Inhibition of IDH2 R172K mutant (unknown origin)
50022315	18	ChEMBL_2495633	Inhibition of N-terminal His-tagged wild type IDH1 (unknown origin)
50022315	19	ChEMBL_2495634	Inhibition of N-terminal His-tagged wild type IDH1 R132H mutant (40 to 452 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	20	ChEMBL_2495635	Inhibition of human IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50022315	21	ChEMBL_2495636	Inhibition of full length FLAG-tagged human recombinant wild type IDH1 expressed in Sf9 cells
50022315	22	ChEMBL_2495637	Inhibition of full length human recombinant IDH1 R132H mutant expressed in Escherichia coli assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	23	ChEMBL_2495638	Inhibition of full length human recombinant IDH1 R132C mutant expressed in Escherichia coli assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	24	ChEMBL_2495639	Inhibition of human N-terminal TEV cleavable/strep tagged IDH1 R132H mutant expressed in Escherichia coli BL21(DE3) using alpha KG as substrate preincubated with compound for 30 mins followed by substrate addition measured after 1.5 hrs by HTS assay
50022315	25	ChEMBL_2495640	Inhibition of N-terminal His-tagged human recombinant IDH2 R140Q mutant (41 to 452) expressed in baculovirus system incubated for 60 mins by size-exclusion chromatography analysis
50022315	26	ChEMBL_2495641	Inhibition of N-terminal His-tagged human recombinant IDH1 R132H mutant (1 to 414) expressed in Sf9 incubated for 60 mins by size-exclusion chromatography analysis
50022315	27	ChEMBL_2495642	Inhibition of wildtype human recombinant IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50022315	28	ChEMBL_2495643	Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50022315	29	ChEMBL_2495644	Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical assay
50022315	30	ChEMBL_2495645	Inhibition of full length N-terminal GST-tagged human IDH1 R132H mutant expressed in Escherichia coli in presence of alpha-KG by fluorescence based biochemical assay
50022315	31	ChEMBL_2495647	Inhibition of IDH1 R132H mutant (unknown origin) expressed in Escherichia coli in presence of alpha-KG and NADPH by fluorescence based biochemical assay
50022315	32	ChEMBL_2495649	Inhibition of human wild type IDH1 R132C mutant expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based analysis
50022315	33	ChEMBL_2495650	Inhibition of human wild type IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells incubated for 60 mins by fluorescence based analysis
50022315	34	ChEMBL_2495651	Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	35	ChEMBL_2495652	Inhibition of wild type IDH2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate measured after 60 mins
50022315	36	ChEMBL_2495654	Inhibition of C-terminal His8-tagged human recombinant IDH1 R132H mutant expressed as Escherichia coli BL21 (DE3) cells using alpha KG as substrate preincubated with compound for 30 mins followed by substrate addition measured after 1.5 hrs by HTS assay
50022315	37	ChEMBL_2495655	Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/MS analysis
50022315	38	ChEMBL_2495656	Inhibition of IDH1 R132C mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/MS analysis
50022315	39	ChEMBL_2495657	Inhibition of C-terminal Hexahistidine-tagged human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells assessed as NADPH consumption in presence of alpha KG incubated for 1 hr by MST assay
50022315	40	ChEMBL_2495658	Inhibition of C-terminal Hexahistidine-tagged human recombinant IDH1 R132C mutant expressed in Escherichia coli BL21 (DE3) cells assessed as NADPH consumption in presence of alpha KG incubated for 1 hr by MST assay
50022315	41	ChEMBL_2495659	Binding affinity to human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition constant
50022315	42	ChEMBL_2495660	Inhibition of N-terminal 6xHis-tagged IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 cells
50022315	43	ChEMBL_2495661	Inhibition of N-terminal IDH1 R140Q mutant (unknown origin) (40 to 452 residues) expressed in Escherichia coli BL21 (DE3) cells in presence of alpha-KG and NADPH by fluorescence based biochemical assay
50022316	1	ChEMBL_2495711	Inhibition of telomerase (unknown origin)
50022316	2	ChEMBL_2495721	Inhibition of human recombinant MAO-B expressed in insect cells incubated for 15 mins by Amplex red and horseradish peroxidase based fluorescence assay
50022316	3	ChEMBL_2495739	Inhibition of human NHE-1
50022316	4	ChEMBL_2495741	Inhibition of human recombinant HDAC1
50022316	5	ChEMBL_2495742	Inhibition of human recombinant HDAC2
50022316	6	ChEMBL_2495743	Inhibition of human recombinant HDAC3
50022316	7	ChEMBL_2495746	Inhibition of human recombinant ALDR1
50022316	8	ChEMBL_2495747	Inhibition of ERK1 (unknown origin)
50022316	9	ChEMBL_2495748	Inhibition of ERK2 (unknown origin)
50022316	10	ChEMBL_2495749	Inhibition of ERK3 (unknown origin)
50022316	11	ChEMBL_2495766	Inhibition of human recombinant FGFR1 cytoplasmic domain (458 to 756 residues)
50022316	12	ChEMBL_2495773	Inhibition of human recombinant FGFR1 (461 to 768 residues) expressed in Escherichia coli BL21 Gold(DE3) cells by spectrophotometer method
50022316	13	ChEMBL_2495844	Inhibition of SYK (unknown origin) by Ambit kinase assay
50022316	14	ChEMBL_2495857	Inhibition of c-Met (unknown origin)
50022316	15	ChEMBL_2495858	Inhibition of VEGFR2 (unknown origin)
50022316	16	ChEMBL_2495863	Inhibition of CDK9 (unknown origin)
50022316	17	ChEMBL_2495864	Inhibition of AChE (unknown origin)
50022316	18	ChEMBL_2495865	Inhibition of BchE (unknown origin)
50022316	19	ChEMBL_2495866	Inhibition of human factor Xa
50022317	1	ChEMBL_2495882	Binding affinity to TRAP1 (unknown origin) assessed as dissociation constant incubated for 24 hrs by fluorescence polarization assay
50022317	2	ChEMBL_2495883	Binding affinity to GRP94 (unknown origin) assessed as dissociation constant incubated for 24 hrs by fluorescence polarization assay
50022317	3	ChEMBL_2495884	Binding affinity to HSP90alpha (unknown origin) assessed as dissociation constant incubated for 24 hrs by fluorescence polarization assay
50022317	4	ChEMBL_2495885	Binding affinity to HSP90beta (unknown origin) assessed as dissociation constant incubated for 24 hrs by fluorescence polarization assay
50022317	5	ChEMBL_2495886	Binding affinity to TRAP1 (unknown origin) assessed as dissociation constant
50022317	6	ChEMBL_2495887	Binding affinity to GRP94 (unknown origin) assessed as dissociation constant
50022317	7	ChEMBL_2495888	Binding affinity to HSP90alpha (unknown origin) assessed as dissociation constant
50022317	8	ChEMBL_2495889	Binding affinity to HSP90beta (unknown origin) assessed as dissociation constant
50022318	1	ChEMBL_2495983	Binding affinity to human CA1 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50022318	2	ChEMBL_2495984	Binding affinity to human CA2 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50022318	3	ChEMBL_2495985	Binding affinity to human CA4 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50022318	4	ChEMBL_2495986	Binding affinity to human CA9 assessed as inhibition constant incubated for 6 hrs by phenol red dye based stopped flow CO2 hydration assay
50022319	1	ChEMBL_2496237	Binding affinity to recombinant Plasmodium falciparum 3D7 ISN1 assessed as dissociation constant by thermophoresis analysis
50022320	1	ChEMBL_2496240	Binding affinity to p300-CBP (unknown origin) protein protein interaction assessed as dissociation constant by tryptophan fluorescence assay
50022321	1	ChEMBL_2496263	Binding affinity to Influenza A virus (A/Puerto Rico/8/34) Hemagglutinin by surface plasmon resonance (SPR) assay
50022322	1	ChEMBL_2496279	Agonist activity at FXR LBD (unknown origin) using fluorescein-SRC2-2 as substrate incubated for 3 hrs by TR-FRET assay
50022322	2	ChEMBL_2496281	Agonist activity at LXR-alpha (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022322	3	ChEMBL_2496282	Agonist activity at LXR-beta (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022322	4	ChEMBL_2496283	Agonist activity at PXR (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022322	5	ChEMBL_2496284	Agonist activity at PPAR-alpha (unknown origin) transfected in human HepG2 cells incubated for 18 hrs by luciferase reporter assay
50022322	6	ChEMBL_2496286	Agonist activity at PPAR-gamma (unknown origin) transfected in HEK293 cells incubated for 18 hrs by luciferase reporter assay
50022322	7	ChEMBL_2496287	Agonist activity at THR-beta (unknown origin)
50022322	8	ChEMBL_2496288	Agonist activity at ER-alpha (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022322	9	ChEMBL_2496289	Agonist activity at ER-beta (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022322	10	ChEMBL_2496290	Agonist activity at glucocorticoid receptor (unknown origin) transfected in African green monkey CV-1 cells incubated for 18 hrs by luciferase reporter assay
50022323	1	ChEMBL_2496322	Inhibition of IRAK4 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins in presence of ATP by mobility shift assay
50022323	2	ChEMBL_2496325	Inhibition of ASK1 (unknown origin) by scintillation proximity assay
50022323	3	ChEMBL_2496326	Inhibition of BTK (unknown origin) by scintillation proximity assay
50022323	4	ChEMBL_2496327	Inhibition of B-Raf (unknown origin) by scintillation proximity assay
50022323	5	ChEMBL_2496328	Inhibition of CaMKI (unknown origin) by scintillation proximity assay
50022323	6	ChEMBL_2496330	Inhibition of CDK4/cyclinD3 (unknown origin) by scintillation proximity assay
50022323	7	ChEMBL_2496331	Inhibition of CLK1 (unknown origin) by scintillation proximity assay
50022323	8	ChEMBL_2496332	Inhibition of DRAK1 (unknown origin) by scintillation proximity assay
50022323	9	ChEMBL_2496333	Inhibition of DYRK1A (unknown origin) by scintillation proximity assay
50022323	10	ChEMBL_2496334	Inhibition of EGFR (unknown origin) by scintillation proximity assay
50022323	11	ChEMBL_2496335	Inhibition of FLT3 (unknown origin) by scintillation proximity assay
50022323	12	ChEMBL_2496336	Inhibition of MAPKAP-K2 (unknown origin) by scintillation proximity assay
50022323	13	ChEMBL_2496337	Inhibition of HIPK1 (unknown origin) by scintillation proximity assay
50022323	14	ChEMBL_2496338	Inhibition of JAK1 (unknown origin) by scintillation proximity assay
50022323	15	ChEMBL_2496339	Inhibition of MRCKa (unknown origin) by scintillation proximity assay
50022323	16	ChEMBL_2496340	Inhibition of NDR1 (unknown origin) by scintillation proximity assay
50022323	17	ChEMBL_2496341	Inhibition of PAK1 (unknown origin) by scintillation proximity assay
50022323	18	ChEMBL_2496342	Inhibition of PKA-C beta (unknown origin) by scintillation proximity assay
50022323	19	ChEMBL_2496343	Inhibition of RIPK1 (unknown origin) by scintillation proximity assay
50022323	20	ChEMBL_2496344	Inhibition of RIPK2 (unknown origin) by scintillation proximity assay
50022323	21	ChEMBL_2496345	Binding affinity to IRAK4 (unknown origin) by kinomescan competition binding assay
50022323	22	ChEMBL_2496346	Binding affinity to IRAK1 (unknown origin) by kinomescan competition binding assay
50022323	23	ChEMBL_2496365	Inhibition of IRAK4 (unknown origin)
50022324	1	ChEMBL_2496401	Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay
50022324	2	ChEMBL_2496402	Inhibition of MMP-12 (unknown origin)
50022324	3	ChEMBL_2496403	Inhibition of HDAC1 (unknown origin)
50022324	4	ChEMBL_2496404	Inhibition of HDAC2 (unknown origin)
50022324	5	ChEMBL_2496405	Inhibition of HDAC3 (unknown origin)
50022324	6	ChEMBL_2496406	Inhibition of HDAC4 (unknown origin)
50022324	7	ChEMBL_2496407	Inhibition of HDAC6 (unknown origin)
50022324	8	ChEMBL_2496408	Inhibition of HDAC8 (unknown origin)
50022324	9	ChEMBL_2496409	Inhibition of HDAC10 (unknown origin)
50022324	10	ChEMBL_2496410	Inhibition of HDAC1 (unknown origin) using Ac-Leu-Gly-Lys(Ac)-AMC as substrate pre-incubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based analysis
50022324	11	ChEMBL_2496411	Inhibition of HDAC2 (unknown origin) assessed as release of fluorogenic AMC pre-incubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins microplate reader analysis
50022324	12	ChEMBL_2496412	Inhibition of HDAC3 (unknown origin) assessed as release of fluorogenic AMC pre-incubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins microplate reader analysis
50022324	13	ChEMBL_2496413	Inhibition of HDAC4 (unknown origin) assessed as release of fluorogenic AMC pre-incubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins microplate reader analysis
50022324	14	ChEMBL_2496415	Inhibition of HDAC8 (unknown origin) assessed as release of fluorogenic AMC pre-incubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins microplate reader analysis
50022324	15	ChEMBL_2496416	Inhibition of HDAC10 (unknown origin) assessed as release of fluorogenic AMC pre-incubated for 15 mins followed by addition of trypsin and substrate measured after 60 mins microplate reader analysis
50022324	16	ChEMBL_2496423	Inhibition of human recombinant HDAC8
50022324	17	ChEMBL_2496427	Inhibition of human recombinant full length HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys(Tfa)-AMC as substrate incubated for 30 mins by fluorescence based assay
50022324	18	ChEMBL_2496428	Inhibition of human recombinant HDAC8 by ELISA assay
50022324	19	ChEMBL_2496430	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate incubated for 30 mins by fluorescence assay
50022324	20	ChEMBL_2496434	Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate class 2A preincubated for 30 mins followed by substrate addition and measured after 15 mins by fluorogenic assay
50022324	21	ChEMBL_2496435	Inhibition of HDAC (unknown origin) using Fluoro-Substrate Peptide as substrate by fluorescence assay
50022324	22	ChEMBL_2496436	Inhibition of HDAC8 (unknown origin) using as Fluor-de-lys substrate by fluorescence based analysis
50022324	23	ChEMBL_2496437	Inhibition of MMP-8 (unknown origin)
50022324	24	ChEMBL_2496438	Inhibition of MMP-2 (unknown origin)
50022324	25	ChEMBL_2496439	Inhibition of MMP-9 (unknown origin)
50022324	26	ChEMBL_2496440	Inhibition of MMP-14 (unknown origin)
50022324	27	ChEMBL_2496441	Inhibition of HDAC8 (unknown origin) by fluorescence based assay
50022325	1	ChEMBL_2496449	Inhibition of VEGFR-2 (unknown origin)
50022325	2	ChEMBL_2496450	Inhibition of EGFR (unknown origin)
50022325	3	ChEMBL_2496451	Inhibition of RET (unknown origin)
50022325	4	ChEMBL_2496452	Inhibition of VEGFR-1 (unknown origin)
50022325	5	ChEMBL_2496453	Inhibition of VEGFR-3 (unknown origin)
50022325	6	ChEMBL_2496454	Inhibition of c-Kit (unknown origin)
50022325	7	ChEMBL_2496455	Inhibition of PDGFRalpha (unknown origin)
50022325	8	ChEMBL_2496456	Inhibition of PDGFRbeta (unknown origin)
50022325	9	ChEMBL_2496457	Inhibition of VEGFR-2 (unknown origin) by Kinase-Glo Max assay
50022325	10	ChEMBL_2496458	Inhibition of human recombinant VEGFR-2 kinase activity
50022325	11	ChEMBL_2496459	Inhibition of VEGFR-3 (unknown origin) in presence of ATP
50022325	12	ChEMBL_2496460	Inhibition of VEGFR-1 (unknown origin) in presence of ATP
50022325	13	ChEMBL_2496461	Inhibition of VEGFR-2 (unknown origin) in presence of ATP at 2 uM by enzymatic assay
50022325	14	ChEMBL_2496464	Inhibition of VEGFR-1 (unknown origin) in presence of ATP by enzymatic assay
50022325	15	ChEMBL_2496465	Inhibition of EGFR (unknown origin) in presence of ATP by enzymatic assay
50022325	16	ChEMBL_2496466	Inhibition of human PDGFRbeta using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50022325	17	ChEMBL_2496471	Inhibition of KDR (unknown origin) using peptide substrate incubated for 90 mins in presence of ATP by HTRF method
50022325	18	ChEMBL_2496473	Inhibition of human recombinant B-Raf using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counter based kinase assay
50022325	19	ChEMBL_2496474	Inhibition of B-RAF V600E mutant (unknown origin) using magnesium acetate as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counter based kinase assay
50022325	20	ChEMBL_2496475	Inhibition of human recombinant C-Raf using Glu-Tyr-Met-Pro-Met-Glu as substrate incubated for 60 mins by radiometric kinase assay
50022325	21	ChEMBL_2496476	Inhibition of human recombinant EGFR using poly(Glu-Tyr) as substrate at 4:1 ratio in presence of ATP incubated for 60 mins by ELISA analysis
50022325	22	ChEMBL_2496477	Inhibition of VEGFR-2 (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022325	23	ChEMBL_2496492	Inhibition of TIE-2 (unknown origin)
50022325	24	ChEMBL_2496493	Inhibition of human VEGFR-2
50022325	25	ChEMBL_2496494	Inhibition of human EPHB4 by discoverX kinome scan assay
50022325	26	ChEMBL_2496495	Inhibition of human VEGFR-1
50022325	27	ChEMBL_2496496	Inhibition of EGFR (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50022325	28	ChEMBL_2496497	Inhibition of human recombinant PDGFRbeta using poly (Glu, Tyr)4:1 as substrate measured after 60 mins by ELISA
50022325	29	ChEMBL_2496498	Inhibition of human c-Kit using MEK1 as substrate incubated for 40 mins by gamma33P-ATP based scintillation counter analysis
50022325	30	ChEMBL_2496499	Inhibition of FGFR1 (unknown origin) in presence of ATP
50022325	31	ChEMBL_2496500	Inhibition of FGFR4 (unknown origin)
50022325	32	ChEMBL_2496501	Inhibition of B-Raf (unknown origin)
50022325	33	ChEMBL_2496517	Inhibition of human recombinant KDR
50022325	34	ChEMBL_2496535	Inhibition of human VEGFR-2 using biotinylated synthetic peptide biotin-aminohexyl-EEEEYFELVAKKKK-NH2 as substrate pre-incubated for 30 mins and measured after 30 mins by FRET assay
50022325	35	ChEMBL_2496540	Inhibition of EGFR (unknown origin) using TK as substrate incubated for 60 mins by HTRF method
50022325	36	ChEMBL_2496541	Inhibition of N-terminal polyhistidine human recombinant KDR using poly-(Glu4-Tyr) peptide as substrate incubated for 60 mins by DELFIA/time-resolved fluorometric analysis
50022325	37	ChEMBL_2496542	Inhibition of VEGFR-1 (unknown origin) by HTRF method
50022325	38	ChEMBL_2496544	Inhibition of VEGFR-2 (unknown origin) using poly-Glu-Ala-Tyr-biotin as substrate pre-incubated for 10 mins followed by substrate addition and measured after 30 mins by HTRF method
50022325	39	ChEMBL_2496545	Inhibition of human VEGFR-2 incubated for 1 hr by ELISA analysis
50022325	40	ChEMBL_2496549	Inhibition of VEGFR1 (unknown origin) by FRET based Z-LYTE kinase assay
50022325	41	ChEMBL_2496550	Inhibition of EGFR (unknown origin) expressed in baculovirus system by ELISA method
50022325	42	ChEMBL_2496551	Inhibition of N-terminal human recombinant VEGFR-2 by kinase assay
50022325	43	ChEMBL_2496553	Inhibition of human VEGFR-2 in presence of gamma-[33P]-ATP by scintillation counting analysis
50022325	44	ChEMBL_2496554	Inhibition of VEGF-induced human VEGFR2 autophosphorylation expressed in HUVEC cells measured after 2 hrs by chemiluminescence assay
50022326	1	ChEMBL_2496558	Inhibition of Kv1.3 (unknown origin) expressed in mouse L929 cells by whole cell patch clamp method
50022326	2	ChEMBL_2496559	Inhibition of Kv1.3 (unknown origin) expressed in CHO cells incubated for 10 mins by 86Rb+ efflux assay
50022326	3	ChEMBL_2496560	Inhibition of Kv1.3 (unknown origin) expressed in Xenopus laevis Oocyte cell membrane by Electrophysiology recording
50022326	4	ChEMBL_2496564	Inhibition of human Kv1.3 expressed in mouse LTK- cells by manual patch clamp electrophysiological recording
50022326	5	ChEMBL_2496565	Inhibition of Kv1.3 (unknown origin) expressed in PBMC derived PHA-activated T-lymphocyte cells incubated for 5 days by manual patch clamp method
50022326	6	ChEMBL_2496570	Inhibition of Kv1.1 (unknown origin) expressed in Xenopus laevis Oocyte cells by electrophysiological recording
50022326	7	ChEMBL_2496571	Inhibition of Kv1.2 (unknown origin) expressed in Xenopus laevis Oocyte cells by electrophysiological recording
50022326	8	ChEMBL_2496581	Inhibition of Kv1.3 in human T-lymphocyte
50022326	9	ChEMBL_2496587	Inhibition of Kv1.3 in human T-lymphocyte by whole cell patch clamp method
50022326	10	ChEMBL_2496588	Inhibition of Kv1.5 (unknown origin)
50022326	11	ChEMBL_2496589	Inhibition of Kv1.3 in human T-lymphocyte by electrophysiology recordings
50022326	12	ChEMBL_2496591	Inhibition of human Kv1.3 expressed in mouse LTK- cells by electrophysiology recording
50022326	13	ChEMBL_2496594	Inhibition of human Kv1.3 expressed in Xenopus laevis Oocyte cells by Electrophysiology recording
50022327	1	ChEMBL_2496598	Antagonist activity at AR (unknown origin) expressed in chemically activated Luciferase expression system
50022327	2	ChEMBL_2496599	Displacement of [3H]17 beta estradiol from human ERalpha by radioligand binding assay
50022327	3	ChEMBL_2496600	Displacement of [3H]17 beta estradiol from human ERbeta by radioligand binding assay
50022328	1	ChEMBL_2496607	Antagonist activity at human CAR LBD expressed in human HepG2 cells incubated for 24 hrs in presence of CITCO by dual luciferase reporter assay
50022328	2	ChEMBL_2496608	Partial agonist activity at human CAR LBD (151 to 349 residues) expressed in HepG2 cells coexpressed with pGL5-luc luciferase measured after 1 to 4 hrs by LanthaScreen TR-FRET assay
50022328	3	ChEMBL_2496609	Antagonist activity at human CAR LBD (151 to 349 residues) expressed in HepG2 cells co-expressed with pGL5-luc luciferase assessed as reduction in CAR activation measured after 1 to 4 hrs by LanthaScreen TR-FRET assay
50022328	4	ChEMBL_2496610	Inverse agonist activity at human CAR LBD (151 to 349 residues) expressed in HepG2 cells co-expressed with pGL5-luc luciferase assessed as reduction in CAR activation measured after 1 to 4 hrs by LanthaScreen TR-FRET assay
50022328	5	ChEMBL_2496611	Agonist activity at human CAR LBD (151 to 349 residues) expressed in HepG2 cells co-expressed with pGL5-luc luciferase assessed as increase in CAR activation measured after 1 to 4 hrs by LanthaScreen TR-FRET assay
50022328	6	ChEMBL_2496612	Antagonist activity at human CAR LBD (151 to 349 residues) expressed in HepG2 cells co-expressed with pGL5-luc luciferase assessed as reduction in CAR activation measured after 1 to 4 hrs in presence of CITCO by LanthaScreen TR-FRET assay
50022329	1	ChEMBL_2496624	Inhibition of beta-FXIIa in human plasma using S-2302 as substrate incubated for 10 mins by chromogenic assay
50022329	2	ChEMBL_2496625	Inhibition of bovine alpha-chymotrypsin using N-succinyl-Ala-Ala-Pro-Phe p-nitroanilide as substrate incubated for 10 mins by chromogenic assay
50022329	3	ChEMBL_2496626	Inhibition of human thrombin incubated for 10 mins by chromogenic assay
50022329	4	ChEMBL_2496628	Inhibition of human Fxa using pNAPEP-8503 as substrate incubated for 10 mins by chromogenic assay
50022329	5	ChEMBL_2496629	Inhibition of human tissue plasminogen activator using ppNAPEP-9101 as substrate incubated for 10 mins by chromogenic assay
50022329	6	ChEMBL_2496630	Inhibition of human FXIa using S-2366 as substrate incubated for 10 mins by chromogenic assay
50022329	7	ChEMBL_2496631	Inhibition of human plasmin using S-2366 as substrate incubated for 10 mins by chromogenic assay
50022330	1	ChEMBL_2496663	Binding affinity to human Cannabinoid receptor 2 assessed as inhibition constant
50022330	2	ChEMBL_2496664	Binding affinity to human Cannabinoid receptor 1 assessed as inhibition constant
50022331	1	ChEMBL_2496678	Inhibition of Staphylococcus aureus SbnE incubated for 1 hr by malachite green staining based microplate reader analysis
50022333	1	ChEMBL_2496705	Inhibition of CDK12 (unknown origin) in presence of ATP by kinase-glo plus luminescent assay
50022333	2	ChEMBL_2496706	Inhibition of PARP1 (unknown origin) incubated for 1 hr by ELISA analysis
50022333	3	ChEMBL_2496707	Inhibition of PARP2 (unknown origin) incubated for 1 hr by ELISA analysis
50022333	4	ChEMBL_2496736	Inhibition of CDK1 (unknown origin)
50022333	5	ChEMBL_2496737	Inhibition of CDK2 (unknown origin)
50022333	6	ChEMBL_2496738	Inhibition of CDK5 (unknown origin)
50022334	1	ChEMBL_2496827	Inhibition of ABCG2 in human A549 cells assessed as increase in PPIX level preincubated for ALA for 4 hrs followed by compound addition and measured after 2 hrs by UPLC-QTOFMS analysis
50022335	1	ChEMBL_2496848	Inhibition of rat TrxR1 using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by colorimetric method
50022336	1	ChEMBL_2496898	Inhibition of SARS-CoV-2 MPro
50022336	2	ChEMBL_2496900	Inhibition of MPro of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 preincubated for 30 mins followed by substrate addition measured for 1 hr by FRET assay
50022336	3	ChEMBL_2496902	Inhibition of MPro of SARS CoV-2 BetaCoV/Wuhan/WIV04/2019 incubated for for 2 hrs in presence of substrate by FRET assay
50022337	1	ChEMBL_2496908	Inhibition of Mycobacterium tuberculosis H37Rv InhA
50022337	2	ChEMBL_2496909	Inhibition of Mycobacterium tuberculosis H37Rv InhA using trans-2-dodecenoyl-coenzyme A as substrate in presence of NADH
50022337	3	ChEMBL_2496910	Inhibition of his6-tagged Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-coenzyme as substrate in presence of NADPH
50022338	1	ChEMBL_2496964	Inhibition of human DNA topoisomerase 2alpha using supercoiled pHot1 DNA as substrate incubated for 30 mins
50022338	2	ChEMBL_2496966	Inhibition of human DNA topoisomerase 2alpha
50022339	1	ChEMBL_2496968	Inhibition of HDAC2 (unknown origin)
50022339	2	ChEMBL_2496969	Inhibition of HDAC6 (unknown origin)
50022339	3	ChEMBL_2496975	Inhibition of HDAC1 (unknown origin)
50022339	4	ChEMBL_2496980	Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50022339	5	ChEMBL_2496981	Inhibition of wild type ALK (unknown origin)
50022339	6	ChEMBL_2496986	Inhibition of EphA2 (unknown origin) incubated for 30 mins by TR-FRET assay
50022339	7	ChEMBL_2496990	Inhibition of BRD4 BD1 (unknown origin)
50022339	8	ChEMBL_2496991	Inhibition of BRD4 BD2 (unknown origin)
50022339	9	ChEMBL_2496992	Inhibition of full length HDAC1 (unknown origin) by nanoBRET assay
50022339	10	ChEMBL_2496993	Inhibition of BCR-ABL (unknown origin)
50022339	11	ChEMBL_2496994	Inhibition of HDAC (unknown origin)
50022339	12	ChEMBL_2496998	Inhibition of HDAC1 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50022339	13	ChEMBL_2496999	Inhibition of HDAC2 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50022339	14	ChEMBL_2497000	Inhibition of HDAC3 in human HeLa nuclear extract using Boc-Lys(Ac)-AMC or Boc-Lys(Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence assay
50022339	15	ChEMBL_2497012	Inhibition of LSD-1 (unknown origin)
50022339	16	ChEMBL_2497016	Inhibition of HDAC3 (unknown origin)
50022339	17	ChEMBL_2497018	Inhibition of HDAC1 (unknown origin) by fluorescence based microplate reader assay
50022339	18	ChEMBL_2497023	Inhibition of full length C-terminal his6-tagged human recombinant HDAC1 (1 to 482 residues) expressed in Sf9 cells using trypsin and Ac-peptide as substrate preincubated with compound for 15 mins followed by substrate addition and measured after 60 mins
50022339	19	ChEMBL_2497024	Inhibition of IDO1 (unknown origin) incubated for 10 mins
50022339	20	ChEMBL_2497025	Inhibition of MIF (unknown origin) tautomerase activity incubated for 10 mins by microplate reader analysis
50022339	21	ChEMBL_2497026	Inhibition of full length C-terminal his6-tagged human recombinant HDAC1 (1 to 482 residues) expressed in Sf9 cells using fluorogenic Boc-Lys(Ac)-AMC as substrate incubated for 90 mins by Synergy H1 plate reader analysis
50022339	22	ChEMBL_2497027	Inhibition of full length C-terminal FLAG-tagged human recombinant HDAC2 (1 to 488 residues) expressed in Sf9 cells using fluorogenic Boc-Lys(Ac)-AMC as substrate incubated for 90 mins by Synergy H1 plate reader analysis
50022339	23	ChEMBL_2497028	Inhibition of C-terminl his-tagged human recombinant HDAC3 (1 to 428 residues) expressed in Sf9 cells using fluorogenic Boc-Lys(Ac)-AMC as substrate incubated for 90 mins by Synergy H1 plate reader analysis
50022340	1	ChEMBL_2497117	Inhibition of human recombinant RIPK1 using MBP as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins in presence of ATP by ADP-Glo kinase assay
50022340	2	ChEMBL_2497118	Inhibition of human recombinant RIPK3 using MBP as substrate preincubated for 15 mins followed by substrate addition and measured after 120 mins in presence of ATP by ADP-Glo kinase assay
50022340	3	ChEMBL_2497139	Inhibition of his tagged recombinant RIPK3 (unknown origin) incubated for 4 hrs by ADP-glo luminescence assay
50022341	1	ChEMBL_2497198	Inhibition of EGFR L858R mutant (unknown origin) by kinomescan analysis
50022341	2	ChEMBL_2497199	Inhibition of EGFR C797S mutant (unknown origin) by kinomescan analysis
50022341	3	ChEMBL_2497200	Inhibition of EGFR del19 mutant (unknown origin) by kinomescan analysis
50022341	4	ChEMBL_2497215	Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 residues) expressed in baculovirus expression system incubated for 1 hrs in presence of ATP by ADP-Glo reagent based assay
50022341	5	ChEMBL_2497216	Irreversible covalent inhibition of recombinant full length EGFR (unknown origin) measured immediately in presence of ATP by ADP-Glo reagent based assay
50022341	6	ChEMBL_2497217	Irreversible covalent inhibition of recombinant full length EGFR (unknown origin) incubated for 4 hrs in presence of ATP by ADP-Glo reagent based assay
50022341	7	ChEMBL_2497225	Inhibition of N-terminal GST-tagged recombinant human EGFR (668 to end residues) expressed in baculovirus infected Sf9 cells incubated for 1 hrs in presence of ATP by ADP-Glo reagent based assay
50022342	1	ChEMBL_2497248	Inhibition of wild type EGFR (unknown origin)
50022342	2	ChEMBL_2497249	Inhibition of EGFR T790M mutant (unknown origin)
50022342	3	ChEMBL_2497250	Inhibition of c-Met (unknown origin)
50022342	4	ChEMBL_2497251	Inhibition of wild type B-RAF (unknown origin)
50022342	5	ChEMBL_2497252	Inhibition of B-RAF V600E mutant (unknown origin)
50022342	6	ChEMBL_2497253	Inhibition of CDK4 (unknown origin)
50022342	7	ChEMBL_2497254	Inhibition of CDK6 (unknown origin)
50022343	1	ChEMBL_2497297	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured every 1 min for 20 mins by spectrophotometric analysis
50022343	2	ChEMBL_2497298	Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured every 1 min for 20 mins by spectrophotometric analysis
50022343	3	ChEMBL_2497300	Inhibition of human AChE
50022343	4	ChEMBL_2497301	Non-competitive inhibition of electric eel AChE by Dixon plot analysis
50022343	5	ChEMBL_2497327	Inhibition of AChE (unknown origin)
50022343	6	ChEMBL_2497328	Antagonist activity at GluN2B NMDA receptor (unknown origin) assessed as inhibition of channel current
50022343	7	ChEMBL_2497329	Antagonist activity at GluN2A NMDA receptor (unknown origin)
50022344	1	ChEMBL_2497368	Inhibition of SARS-CoV-2 main protease by FRET assay
50022344	2	ChEMBL_2497401	Inhibition of SARS-CoV-2 main protease using Dabcyl-KTSAVLQSGFRKM-E(Edans)-NH2 as substrate by FRET assay
50022344	3	ChEMBL_2497403	Inhibition of recombinant SARS-CoV-2 full-length main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured at 30 secs interval for 10 mins by FRET assay
50022344	4	ChEMBL_2497405	Inhibition of SARS-CoV-2 BetaCoV/Wuhan/WIV04/2019 Main protease expressed in Escherichia coli BL21 (DE3) using Dabcyl-KTSAVLQ/SGFRKME as substrate preincubated for 30 mins followed by substrate addition and measured for 1 hr by FRET assay
50022344	5	ChEMBL_2497407	Inhibition of SARS-CoV-2 Main protease expressed in Escherichia coli BL21 (DE3) using MCA-AVLQSGFR-Lys (DNP)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition and measured for 10 mins by FRET assay
50022344	6	ChEMBL_2497409	Inhibition of SARS-CoV-2 Main protease using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 20 mins followed by substrate addition by FRET assay
50022344	7	ChEMBL_2497411	Inhibition of SARS-CoV-2 Main protease using MCA-AVLQSGFR-Lys(DNP)-Lys-NH2 as substrate preincubated for 10 mins followed by substrate addition by FRET assay
50022345	1	ChEMBL_2497819	Inhibition of full length FLAG His-tagged RIPK2 (unknown origin) expressed in Baculovirus by fluorescence polarization assay
50022345	2	ChEMBL_2497820	Inhibition of RIPK2 (unknown origin) by ADP-Glo assay
50022345	3	ChEMBL_2497821	Inhibition of RIPK2 (unknown origin) using (CRRKSLVGTPYWMAPE) peptide as substrate pre-incubated for 60 mins followed by substrate addition and measured after 2 hrs by fluorescence polarization assay
50022345	4	ChEMBL_2497823	Inhibition of RIPK2 (unknown origin) expressed in Escherichia coli
50022345	5	ChEMBL_2497824	Inhibition of N-terminal 6His-tagged human recombinant RIPK2 expressed in Escherichia coli BL21 (DE3) cells incubated for 2 hrs by ADP-Glo assay
50022345	6	ChEMBL_2497825	Inhibition of RIPK2 (unknown origin)
50022345	7	ChEMBL_2497827	Inhibition of wildtype RIPK2 (unknown origin) by ADP-Glo assay
50022345	8	ChEMBL_2497828	Inhibition of human recombinant RIPK2 expressed in Escherichia coli BL21 (DE3) cells using CRRKSLVGTPYWMAPE peptide as substrate pre-incubated for 60 mins followed by substrate addition and mesaured after 2 hrs by Fluorescence polarization assay
50022345	9	ChEMBL_2497829	Inhibition of amino terminal HA-tagged human RIPK2 incubated for 30 mins in presence of [gamma33P]ATP by microplate reader analysis
50022345	10	ChEMBL_2497830	Inhibition of N-terminal 6xHis-tagged human recombinant RIPK2 incubated for 1 hr by nanoBRET assay
50022346	1	ChEMBL_2497930	Inhibition of wild type HIV-1 reverse transcriptase assessed as inhibition of biotin-dUTP incorporation using ABTS as substrate incubated for 1 hrs by ELISA analysis
50022347	1	ChEMBL_2497931	Inhibition of recombinant human nSMase2 using SM as substrate incubated for 1 hr by fluorescence assay
50022348	1	ChEMBL_2497958	Inhibition of recombinant LSD1 ( unknown origin) expressed in Escherichia coli BL21 (DE3) cells using H3K4me2 peptide as substrate incubated for 30 mins in presence of FAD by fluorescence microplate reader analysis
50022349	1	ChEMBL_2498118	Binding affinity to human ABL1 assessed as dissociation constant by Adp-glo assay
50022349	2	ChEMBL_2498119	Binding affinity to human BMPR1B assessed as dissociation constant by Adp-glo assay
50022349	3	ChEMBL_2498120	Binding affinity to human DMPK assessed as dissociation constant by Adp-glo assay
50022349	4	ChEMBL_2498121	Binding affinity to human FLT3 assessed as dissociation constant by Adp-glo assay
50022349	5	ChEMBL_2498122	Binding affinity to human FLT3 ITD mutant assessed as dissociation constant by Adp-glo assay
50022349	6	ChEMBL_2498123	Binding affinity to human FLT3 ITD/D835V double mutant assessed as dissociation constant by Adp-glo assay
50022349	7	ChEMBL_2498124	Binding affinity to human JNK1 assessed as dissociation constant by Adp-glo assay
50022349	8	ChEMBL_2498125	Binding affinity to human JNK2 assessed as dissociation constant by Adp-glo assay
50022349	9	ChEMBL_2498126	Binding affinity to human JNK3 assessed as dissociation constant by Adp-glo assay
50022349	10	ChEMBL_2498127	Binding affinity to human MEK5 assessed as dissociation constant by Adp-glo assay
50022349	11	ChEMBL_2498128	Binding affinity to human STK16 assessed as dissociation constant by Adp-glo assay
50022349	12	ChEMBL_2498142	Inhibition of human ABL1 in presence of ATP by microplate reader analysis
50022349	13	ChEMBL_2498143	Inhibition of human FLT3 using MBP as substrate in presence of ATP by microplate reader analysis
50022350	1	ChEMBL_2498283	Inhibition of human carbonic anhydrase 1 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022350	2	ChEMBL_2498284	Inhibition of human carbonic anhydrase 2 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022350	3	ChEMBL_2498285	Inhibition of human carbonic anhydrase 9 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022350	4	ChEMBL_2498286	Inhibition of human carbonic anhydrase 12 assessed as inhibition constant preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay
50022350	5	ChEMBL_2498287	Inhibition of VEGFR-2 (unknown origin) using biotinylated poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 5 mins by ELISA
50022351	1	ChEMBL_2498301	Inhibition of FGFR4 (unknown origin) kinase activity
50022351	2	ChEMBL_2498307	Inhibition of FGFR1 (unknown origin) kinase activity
50022351	3	ChEMBL_2498308	Inhibition of FGFR2 (unknown origin) kinase activity
50022351	4	ChEMBL_2498309	Inhibition of FGFR3 (unknown origin) kinase activity
50022352	1	ChEMBL_2498436	Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cells at 10 uM incubated for 1 hr
50022352	2	ChEMBL_2498439	Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK cells assessed as inhibition constant incubated for 1 hr
50022352	3	ChEMBL_2498441	Binding affinity to 5HT2B receptor (unknown origin) assessed as inhibition constant
50022352	4	ChEMBL_2498443	Displacement of [3H]-Mesulergine from human 5-HT2C expressed in Flp-In-T-REx-293 cells assessed as inhibition constant incubated for 1 hr
50022352	5	ChEMBL_2498445	Binding affinity to 5HT2C receptor (unknown origin) assessed as inhibition constant
50022352	6	ChEMBL_2498446	Displacement of [3H]-mesulergine from human A1AR expressed in Flp-In-T-REx-293 cells assessed as inhibition constant
50022352	7	ChEMBL_2498449	Binding affinity to A1AR (unknown origin) assessed as inhibition constant
50022352	8	ChEMBL_2498452	Displacement of [3H]-CGS21680 from human A3AR expressed in HEK cells assessed as inhibition constant
50022352	9	ChEMBL_2498461	Binding affinity to 5HT1D receptor (unknown origin) assessed as inhibition constant
50022352	10	ChEMBL_2498462	Binding affinity to histamine H1 receptor (unknown origin) assessed as inhibition constant
50022352	11	ChEMBL_2498463	Binding affinity to dopamine D4 receptor (unknown origin) assessed as inhibition constant
50022352	12	ChEMBL_2498464	Binding affinity to alpha2B receptor (unknown origin) assessed as inhibition constant
50022352	13	ChEMBL_2498465	Binding affinity to alpha2C receptor (unknown origin) assessed as inhibition constant
50022352	14	ChEMBL_2498466	Binding affinity to beta3 adrenergic receptor (unknown origin) assessed as inhibition constant
50022352	15	ChEMBL_2498467	Binding affinity to DOR (unknown origin) assessed as inhibition constant
50022352	16	ChEMBL_2498468	Binding affinity to KOR (unknown origin) assessed as inhibition constant
50022352	17	ChEMBL_2498469	Binding affinity to MOR (unknown origin) assessed as inhibition constant
50022352	18	ChEMBL_2498470	Binding affinity to TSPO (unknown origin) assessed as inhibition constant
50022352	19	ChEMBL_2498471	Binding affinity to DAT (unknown origin) assessed as inhibition constant
50022353	1	ChEMBL_2498472	Inhibition of PARP1 (unknown origin)
50022353	2	ChEMBL_2498474	Inhibition of PARP1 (unknown origin) incubated for 1 hr by ELISA analysis
50022354	1	ChEMBL_2498510	Agonist activity at STING R232 mutant (unknown origin) expressed in digitonin -permeabilized HEK293T cells preincubated for 30 mins followed by washout and measured after 5 hrs by Bright-glo luciferase assay
50022354	2	ChEMBL_2498511	Agonist activity at STING R71H/G230A/R293Q mutant (unknown origin) expressed in digitonin -permeabilized HEK293T cells preincubated for 30 mins followed by washout and measured after 5 hrs by Bright-glo luciferase assay
50022354	3	ChEMBL_2498513	Agonist activity at STING G230A/R293Q mutant (unknown origin) expressed in digitonin -permeabilized HEK293T cells preincubated for 30 mins followed by washout and measured after 5 hrs by Bright-glo luciferase assay
50022354	4	ChEMBL_2498514	Agonist activity at STING R293Q mutant (unknown origin) expressed in digitonin -permeabilized HEK293T cells preincubated for 30 mins followed by washout and measured after 5 hrs by Bright-glo luciferase assay
50022354	5	ChEMBL_2498515	Agonist activity at wild type STING (unknown origin) expressed in HEK293T cells preincubated for 30 mins followed by washout and measured after 6.5 hrs by Bright-glo luciferase assay
50022354	6	ChEMBL_2498516	Agonist activity at wild type STING (unknown origin) expressed in HEK293T cells measured after 7 hrs by Bright-glo luciferase assay
50022355	1	ChEMBL_2498535	Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with compounds for 20 mins followed by substrate addition and measured after 5 mins by Ellman's method
50022355	2	ChEMBL_2498537	Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured after 5 mins by Ellman's method
50022355	3	ChEMBL_2498542	Binding affinity to human 5HT6 receptor expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr radioligand binding assay
50022355	4	ChEMBL_2498543	Binding affinity to human 5HT2A receptor expressed in CHO-K1 cells assessed as inhibition constant incubated for 1 hr radioligand binding assay
50022355	5	ChEMBL_2498544	Binding affinity to human 5HT7 receptor expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr radioligand binding assay
50022355	6	ChEMBL_2498545	Binding affinity to human dopamine 2 receptor expressed in HEK293 cells assessed as inhibition constant incubated for 1 hr radioligand binding assay
50022356	1	ChEMBL_2498612	Inhibition of ovine COX-2
50022356	2	ChEMBL_2498613	Inhibition of ovine COX-1
50022357	1	ChEMBL_2498690	Inhibition of MDR1 (unknown origin) overexpressed in MDCK cells using Calcein-AM as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022357	2	ChEMBL_2498691	Inhibition of MRP1 (unknown origin) overexpressed in MDCK cells using Calcein-AM as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022357	3	ChEMBL_2498692	Inhibition of BCRP (unknown origin) overexpressed in MDCK cells using Hoechst 33342 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence based assay
50022358	1	ChEMBL_2498718	Binding affinity to full length N-terminal his6-tagged human TFEB expressed in Escherichia coli by isothermal titration calorimetry analysis
50022358	2	ChEMBL_2498719	Activation of FoxO1(unknown origin)
50022358	3	ChEMBL_2498723	Inhibition of Beclin-1/Bcl-2 (unknown origin) interaction by fluorescence polarization assay
50022361	1	ChEMBL_2498724	Displacement of 3H-SAM from PRMT1 (unknown origin) using biotinylated-histone H4 peptide as substrate incubated for 45 mins by SPA assay
50022361	2	ChEMBL_2498725	Inhibition of PRMT3 (unknown origin)
50022361	3	ChEMBL_2498726	Inhibition of PRMT4 (unknown origin)
50022361	4	ChEMBL_2498727	Inhibition of PRMT6 (unknown origin)
50022361	5	ChEMBL_2498728	Inhibition of PRMT8 (unknown origin)
50022361	6	ChEMBL_2498729	Displacement of 3H-SAM from SUV39H1 (unknown origin) using biotinylated-histone H3 peptide as substrate incubated for 45 mins by SPA assay
50022361	7	ChEMBL_2498730	Displacement of 3H-SAM from SMYD3 (unknown origin) using biotinylated-MAP3K2 as substrate incubated for 45 mins by SPA assay
50022361	8	ChEMBL_2498739	Inhibition of PRMT1 (unknown origin)
50022361	9	ChEMBL_2498750	Displacement of 3H-SAM from human PRMT1 in presence of substrate by SPA assay
50022361	10	ChEMBL_2498751	Displacement of 3H-SAM from human PRMT3 in presence of substrate by SPA assay
50022361	11	ChEMBL_2498752	Displacement of 3H-SAM from human PRMT4 in presence of substrate by SPA assay
50022361	12	ChEMBL_2498753	Displacement of 3H-SAM from human PRMT6 in presence of substrate by SPA assay
50022361	13	ChEMBL_2498754	Displacement of 3H-SAM from human PRMT8 in presence of substrate by SPA assay
50022361	14	ChEMBL_2498763	Binding affinity to PRMT4 (unknown origin) assessed as dissociation constant by ITC analysis
50022362	1	ChEMBL_2498768	Inhibition of N-terminal polyHis-tagged human RIPK2 (8 to 310 residues) expressed in Sf9 cells using MBP as substrate preincubated for 15 mins followed by ATP addition measured after 90 mins by ADP-Glo assay
50022362	2	ChEMBL_2498769	Inhibition of N-terminal polyHis-tagged human RIPK3 (1 to 307 residues) expressed in Sf9 cells using MBP as substrate preincubated for 15 mins followed by ATP addition measured after 90 mins by ADP-Glo assay
50022362	3	ChEMBL_2498772	Inhibition of N-terminal polyHis-tagged human RIPK1 (1 to 321 residues) expressed in Sf9 cells using MBP as substrate preincubated for 15 mins followed by ATP addition measured after 90 mins by ADP-Glo assay
50022362	4	ChEMBL_2498773	Inhibition of N-terminal polyHis-tagged human RIPK4 (1 to 321 residues) expressed in Sf9 cells using MBP as substrate preincubated for 15 mins followed by ATP addition measured after 90 mins by ADP-Glo assay
50022362	5	ChEMBL_2498774	Inhibition of RIPK2-mediated NF-kappaB signalling in C14-TriLAN-Gly-treated human THP-1 cells preincubated for 30 mins followed by C14-TriLAN-Gly addition measured after 24 hrs by luminescence based assay
50022362	6	ChEMBL_2498775	Inhibition of RIPK2-mediated NF-kappaB signalling in MDP-treated human THP-1 cells preincubated for 30 mins followed by MDP addition measured after 24 hrs by luminescence based assay
50022363	1	ChEMBL_2498791	Inhibition of human COX-2 using arachidonic acid as substrate incubated for 30 secs by ELISA
50022363	2	ChEMBL_2498792	Inhibition of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by Ellman's reagent based assay
50022363	3	ChEMBL_2498794	Inhibition of ovine COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 mins by colorimetric assay
50022363	4	ChEMBL_2498795	Inhibition of human COX-2
50022363	5	ChEMBL_2498797	Inhibition of 15-LOX (unknown origin) using linoleic acid as substrate incubated for 5 mins by absorbance based assay
50022363	6	ChEMBL_2498798	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50022363	7	ChEMBL_2498799	Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA
50022364	1	ChEMBL_2498841	Inhibition of 6His-tagged human HSP90alpha N-terminal domain (1 to 223 residues) expressed in Escherichia coli BL21 DE3 cells incubated for 24 hrs by fluorescence polarization assay
50022364	2	ChEMBL_2498842	Inhibition of HSP90beta (unknown origin) incubated for 24 hrs by fluorescence polarization assay
50022365	1	ChEMBL_2498843	Inhibition of HDAC class IIa in human LNCaP cells incubated for 1 hr by HDAC-Glo assay
50022365	2	ChEMBL_2498844	Inhibition of recombinant HDAC1 (unknown origin) using RHKK-Ac-AMC as substrate
50022365	3	ChEMBL_2498845	Inhibition of recombinant HDAC4 (unknown origin) using trifluoroacetyl lysine as substrate
50022365	4	ChEMBL_2498846	Inhibition of recombinant HDAC6 (unknown origin) using RHKK-Ac-AMC as substrate
50022365	5	ChEMBL_2498864	Inhibition of recombinant HDAC2 (unknown origin) using RHKK-Ac-AMC as substrate
50022365	6	ChEMBL_2498865	Inhibition of recombinant HDAC3 (unknown origin) using RHKK-Ac-AMC as substrate
50022365	7	ChEMBL_2498866	Inhibition of recombinant HDAC8 (unknown origin) using RHK-Ac-K-Ac-AMC as substrate
50022365	8	ChEMBL_2498867	Inhibition of recombinant HDAC5 (unknown origin) using trifluoroacetyl lysine as substrate
50022365	9	ChEMBL_2498868	Inhibition of recombinant HDAC7 (unknown origin) using trifluoroacetyl lysine as substrate
50022365	10	ChEMBL_2498869	Inhibition of recombinant HDAC9 (unknown origin) using trifluoroacetyl lysine as substrate
50022365	11	ChEMBL_2498870	Inhibition of recombinant HDAC10 (unknown origin) using RHKK-Ac-AMC as substrate
50022365	12	ChEMBL_2498871	Inhibition of recombinant HDAC11 (unknown origin) using trifluoroacetyl lysine as substrate
50022365	13	ChEMBL_2498872	Inhibition of HDAC1 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022365	14	ChEMBL_2498873	Inhibition of recombinant HDAC2 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022365	15	ChEMBL_2498874	Inhibition of recombinant HDAC3 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022365	16	ChEMBL_2498875	Inhibition of recombinant HDAC8 (unknown origin) using (Arg-HisLys(Ac)-Lys(Ac)) as substrate
50022365	17	ChEMBL_2498876	Inhibition of recombinant HDAC6 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022365	18	ChEMBL_2498877	Inhibition of recombinant HDAC10 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022365	19	ChEMBL_2498878	Inhibition of recombinant HDAC11 (unknown origin) using (Arg-His-Lys-Lys(Ac)) as substrate
50022366	1	ChEMBL_2498880	Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main protease (M1 to Q307 residues) expressed in Escherichia coli BL21 (DE3) cells using LGSAVLQ-Rh110-dP as peptide substrate preincubated for 1 hr followed by substrate addition and measured after 24 hrs by fluorescence based analysis
50022366	2	ChEMBL_2498885	Inhibition of recombinant full length SARS-CoV-2 main protease expressed in Escherichia coli preincubated for 10 mins followed by substrate addition and measured every 30 secs for 10 mins
50022366	3	ChEMBL_2498887	Binding affinity to SARS-Cov-2 main protease assessed as inhibition constant
50022366	4	ChEMBL_2498889	Inhibition of C-terminal his tagged SARS-Cov-2 main protease
50022367	1	ChEMBL_2498923	Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50022367	2	ChEMBL_2498924	Inhibition of recombinant ovine COX-2 using arachidonic acid as substrate preincubated with compound for 5 mins followed by substrate addition and measured after 2 mins by enzyme immunoassay
50022367	3	ChEMBL_2498946	Binding affinity to CM5 chip immobilized KEAP1 Kelch domain (unknown origin) assessed as dissociation equilibrium constant by SPR analysis
50022368	1	ChEMBL_2498992	Inhibition of KAT6A (unknown origin) by SPR analysis
50022368	2	ChEMBL_2498993	Inhibition of recombinant human KAT6A catalytic domain using [3H]-acetyl-coA as substrate pretreated with compound for 20 mins followed by substrate addition and measured after 4 hrs by liquid scintillation counter analysis
50022368	3	ChEMBL_2498998	Inhibition of recombinant human KAT7 catalytic domain using H3 peptide and [3H]-acetyl-coA as substrate incubated for 1 hr by liquid scintillation counter analysis
50022368	4	ChEMBL_2498999	Inhibition of full length recombinant human KAT5 catalytic domain using H2A peptide and [3H]-acetyl-coA as substrate incubated for 1 hr by liquid scintillation counter analysis
50022368	5	ChEMBL_2499000	Inhibition of full length recombinant human KAT8 catalytic domain using H4 peptide and [3H]-acetyl-coA as substrate incubated for 1 hr by liquid scintillation counter analysis
50022368	6	ChEMBL_2499001	Inhibition of full length recombinant human KAT6B catalytic domain using H4 peptide and [3H]-acetyl-coA as substrate incubated for 1 hr by liquid scintillation counter analysis
50022369	1	ChEMBL_2499073	Competitive inhibition of His-tagged human tyrosinase expressed in HEK293 cells assessed as inhibition constant
50022369	2	ChEMBL_2499074	Competitive inhibition of His-tagged human tyrosinase expressed in HEK293 cells
50022369	3	ChEMBL_2499075	Inhibition of human tyrosinase
50022369	4	ChEMBL_2499076	Inhibition of tyrosinase in human MNT-1 cells
50022369	5	ChEMBL_2499077	Inhibition of human tyrosinase using L-DOPA as substrate by spectrophotometer analysis
50022369	6	ChEMBL_2499078	Inhibition of mushroom tyrosinase using L-DOPA as substrate by spectrophotometer analysis
50022369	7	ChEMBL_2499081	Inhibition of mushroom tyrosinase using L-DOPA as substrate
50022369	8	ChEMBL_2499082	Binding affinity to human tyrosinase using l-DOPA as substrate assessed as inhibition constant by Michaelis-Menten plot analysis
50022370	1	ChEMBL_2499086	Inhibition of human ACE2 using Mca-APK(Dnp) as substrate incubated for 30 mins by fluorometer analysis
50022371	1	ChEMBL_2499130	Inhibition of human FLT3 ITD mutant using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 120 mins by filter-binding method relative to control
50022371	2	ChEMBL_2499133	Inhibition of HDAC1 (unknown origin) using RHKK(Ac)AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescent based assay
50022371	3	ChEMBL_2499146	Inhibition of HDAC2 (unknown origin) using RHKK(Ac)AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescent based assay
50022371	4	ChEMBL_2499147	Inhibition of HDAC3 (unknown origin) using RHKK(Ac)AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescent based assay
50022371	5	ChEMBL_2499148	Inhibition of HDAC4 (unknown origin) using boc-(trifluoroacetyl)lysineAMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescent based assay
50022371	6	ChEMBL_2499149	Inhibition of HDAC6 (unknown origin) using RHKK(Ac)AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 60 mins by fluorescent based assay
50022371	7	ChEMBL_2499150	Inhibition of HDAC7 (unknown origin) using boc-(trifluoroacetyl)lysineAMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescent based assay
50022371	8	ChEMBL_2499151	Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac)AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 120 mins by fluorescent based assay
50022371	9	ChEMBL_2499152	Inhibition of HDAC11 (unknown origin) using boc-(trifluoroacetyl)lysineAMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescent based assay
50022374	1	ChEMBL_2499192	Inhibition of HDAC10 (unknown origin) TR-FRET assay
50022374	2	ChEMBL_2499193	Inhibition of HDAC11 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	3	ChEMBL_2499194	Inhibition of HDAC6 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 1 min
50022374	4	ChEMBL_2499195	Inhibition of HDAC1 (unknown origin) using FTS as substrate preincubated for 10 mins followed by substrate addition measured after 1 min
50022374	5	ChEMBL_2499197	Inhibition of recombinant human HDAC6 RHKKAc as substrate
50022374	6	ChEMBL_2499198	Inhibition of recombinant human HDAC1 RHKKAc as substrate
50022374	7	ChEMBL_2499199	Inhibition of zinc-dependent recombinant human HDAC6 incubated for 30 mins in presence of substrate by fluorescence based assay
50022374	8	ChEMBL_2499200	Inhibition of zinc-dependent recombinant human HDAC1 incubated for 30 mins in presence of substrate by fluorescence based assay
50022374	9	ChEMBL_2499202	Inhibition of HDAC1 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	10	ChEMBL_2499204	Inhibition of HDAC6 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	11	ChEMBL_2499206	Inhibition of HDAC2 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	12	ChEMBL_2499207	Inhibition of HDAC3 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	13	ChEMBL_2499208	Inhibition of HDAC4 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	14	ChEMBL_2499209	Inhibition of HDAC5 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	15	ChEMBL_2499210	Inhibition of HDAC7 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	16	ChEMBL_2499211	Inhibition of HDAC8 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022374	17	ChEMBL_2499212	Inhibition of HDAC9 (unknown origin) expressed in baculovirus infected in Sf9 cells using RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 2 hrs by fluorescence based assay
50022375	1	ChEMBL_2499465	Inhibition of CDK9 (unknown origin) in presence of ATP by ADP-Glo kinase assay
50022376	1	ChEMBL_2499539	Binding affinity to C-terminal Influenza A virus Polymerase acidic protein assessed as dissociation constant by MST assay
50022376	2	ChEMBL_2499540	Binding affinity to Influenza A virus Nucleoprotein assessed as dissociation constant by MST assay
50022377	1	ChEMBL_2499658	Inhibition of AChE (unknown origin) using acetylcholine iodide as substrate incubated for 15 to 20 mins by DTNB reagent based Ellman's method
50022378	1	ChEMBL_2499729	Inhibition of recombinant human CA-I incubated for 15 mins by stop-flow method
50022378	2	ChEMBL_2499730	Inhibition of recombinant human CA-II incubated for 15 mins by stop-flow method
50022378	3	ChEMBL_2499731	Inhibition of recombinant human CA-IV incubated for 15 mins by stop-flow method
50022378	4	ChEMBL_2499732	Inhibition of recombinant human CA-VA incubated for 15 mins by stop-flow method
50022378	5	ChEMBL_2499733	Inhibition of recombinant human CA-VII incubated for 15 mins by stop-flow method
50022378	6	ChEMBL_2499734	Inhibition of recombinant human CA-IX incubated for 15 mins by stop-flow method
50022378	7	ChEMBL_2499735	Inhibition of recombinant human CA-XII incubated for 15 mins by stop-flow method
50022378	8	ChEMBL_2499736	Inhibition of recombinant human CA-XIII incubated for 15 mins by stop-flow method
50022378	9	ChEMBL_2499737	Inhibition of recombinant human CA-XIV incubated for 15 mins by stop-flow method
50022378	10	ChEMBL_2499738	Displacement of [3H]-DAMGO from MOR in rat brain membrane by liquid scintillation counter analysis
50022378	11	ChEMBL_2499739	Displacement of [3H]-(2-D-Ala)-[-Tyrosyl-3,5-]DELTORPHIN II from DOR in rat brain membrane by liquid scintillation counter analysis
50022378	12	ChEMBL_2499740	Displacement of [3H]-U69,593 from KOR in guinea pig brain membrane by liquid scintillation counter analysis
50022378	13	ChEMBL_2499741	Inhibition of MOR in rat brain membrane by liquid scintillation counter analysis
50022378	14	ChEMBL_2499742	Inhibition of DOR in rat brain membrane by liquid scintillation counter analysis
50022378	15	ChEMBL_2499743	Inhibition of KOR in guinea pig brain membrane by liquid scintillation counter analysis
50022379	1	ChEMBL_2499814	Binding affinity to wild type human EGFR partial length (R669 to V1011 residues) expressed in bacterial expression system assessed as dissociation constant by DiscoverX kinomescan assay
50022379	2	ChEMBL_2499815	Binding affinity to human partial length EGFR (R669 to V1011 residues) L858R mutant expressed in bacterial expression system assessed as dissociation constant by DiscoverX kinomescan assay
50022379	3	ChEMBL_2499816	Binding affinity to human partial length AURKB (D25 to A303 residues) expressed in mammalian system assessed as dissociation constant by DiscoverX kinomescan assay
50022379	4	ChEMBL_2499817	Inhibition of EGFR L858R mutant phosphorylation (unknown origin) preincubated for 60 mins in the presence of ATP
50022379	5	ChEMBL_2499818	Inhibition of EGFR L858R mutant phosphorylation (unknown origin) in the presence of ATP
50022379	6	ChEMBL_2499819	Inhibition of AURKB/INCENP (unknown origin) preincubated for 60 mins in the presence of ATP at Km concentration
50022379	7	ChEMBL_2499820	Inhibition of AURKB/INCENP (unknown origin) in the presence of ATP at Km concentration
50022379	8	ChEMBL_2499827	Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell survival
50022379	9	ChEMBL_2499828	Inhibition of EGFR (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell survival
50022379	10	ChEMBL_2499832	Inhibition of AURKB (unknown origin) by nanoBRET assay
50022380	1	ChEMBL_2499841	Binding affinity to human SIRT3 assessed as dissociation constant by SPR analysis
50022380	2	ChEMBL_2499842	Activation of human SIRT3 (unknown origin) deacetylation activity using fluorogenic substrate measured upto 120 mins by microplate reader analysis
50022380	3	ChEMBL_2499843	Binding affinity to human SIRT3 (102 to 399 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant
50022381	1	ChEMBL_2499845	Allosteric inhibition of wild type SHP2 (unknown origin) assessed as dephosphorylation of DIFMUP by fluorescence based envision microplate reader analysis
50022382	1	ChEMBL_2499846	Activation of N-terminal His-tagged recombinant human SIRT1 (193 to end residues) expressed in baculovirus infected Sf9 insect cells incubated for 15 to 45 mins by luminescence based assay
50022382	2	ChEMBL_2499847	Inhibition of AMC-conjugated recombinant human SIRT1 (379 to 382 residues) using sirtuin as substrate incubated for 45 mins by fluorescence based assay
50022382	3	ChEMBL_2499848	Inhibition of AMC-conjugated recombinant human SIRT2 ( 317 to 320 residues) using sirtuin as substrate incubated for 45 mins by fluorescence based assay
50022382	4	ChEMBL_2499849	Inhibition of AMC-conjugated recombinant human SIRT3 ( 317 to 320 residues) using sirtuin as substrate incubated for 45 mins by fluorescence based assay
50022382	5	ChEMBL_2499851	Activation of SIRT1 (unknown origin)
50022382	6	ChEMBL_2499853	Inhibition of SIRT2 (unknown origin)
50022385	1	ChEMBL_2499921	Inhibition of PKC theta (unknown origin) in presence of ATP at Km
50022385	2	ChEMBL_2499922	Inhibition of PKC theta (unknown origin) in presence of 1 mM ATP
50022385	3	ChEMBL_2499923	Inhibition of PKC alpha (unknown origin) in presence of ATP at Km
50022385	4	ChEMBL_2499924	Inhibition of PKC alpha (unknown origin) in presence of 1 mM ATP
50022385	5	ChEMBL_2499925	Inhibition of PKC theta in TCR-stimulated human PBMC assessed as inhibition of IL-2 release
50022386	1	ChEMBL_2499950	Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA method
50022387	1	ChEMBL_2499955	Inhibition of SARS-CoV-2 3CL protease using Dabcyl-KTSAVLQSGFRKME-Edans as a substrate preincubated for 30 mins followed by substrate addition and measured after for 4 hrs by FRET assay
50022389	1	ChEMBL_2499985	Inhibition of DCN1 (unknown origin) assessed as inhibition constant incubated for 30 min by competitive FP binding assay
50022389	2	ChEMBL_2499986	Inhibition of NAE (unknown origin)
50022389	3	ChEMBL_2499987	Inhibition of DCN1 (unknown origin) incubated for 30 mins by competitive FP binding assay
50022390	1	ChEMBL_2500041	Inhibition of WRN (unknown origin)
50022390	2	ChEMBL_2500042	Inhibition of recombinant human WRN unwinding activity by immunosorbent-based helicase unwinding assay
50022390	3	ChEMBL_2500043	Inhibition of WRN (unknown origin) ATPase activity
50022390	4	ChEMBL_2500044	Inhibition of BLM (unknown origin) ATPase activity
50022390	5	ChEMBL_2500046	Inhibition of eIF4A (unknown origin) ATPase activity
50022391	1	ChEMBL_2500062	Irreversible inhibition of PSMA (unknown origin)
50022392	1	ChEMBL_2500102	Inhibition of mPGES-1 (unknown origin)
50022393	1	ChEMBL_2500104	Inhibition of NLRP3 inflammasome in mouse J774.A1 cells assessed as inhibition of IL-1 beta secretion
50022394	1	ChEMBL_2500118	Binding affinity to human FKBP12 expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay
50022394	2	ChEMBL_2500119	Binding affinity to human FKBP12.6 expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay
50022394	3	ChEMBL_2500120	Binding affinity to human FKBP51 FK1 domain expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay
50022394	4	ChEMBL_2500121	Binding affinity to human FKBP52 FK1 domain expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay
50022395	1	ChEMBL_2500140	Binding affinity to wildtype LAR catalytic domain D1 (unknown origin) assessed as inhibition constant by Michaelis-Menten analysis
50022395	2	ChEMBL_2500144	Covalent inhibition of wildtype LAR catalytic domain D1 (unknown origin)
50022396	1	ChEMBL_2500149	Inhibition of p300 (unknown origin)
50022396	2	ChEMBL_2500150	Inhibition of CBP BHC domain (unknown origin)
50022396	3	ChEMBL_2500160	Inhibition of p300 BHC domain (unknown origin)
50022397	1	ChEMBL_2500163	Inhibition of recombinant Plasmodium falciparum NMT using 3H-myristoyl CoA as substrate preincubated for 15 mins followed by substrate addition and measured after 80 mins
50022397	2	ChEMBL_2500165	Inhibition of human NMT1
50022397	3	ChEMBL_2500166	Inhibition of human NMT2
50022397	4	ChEMBL_2500171	Inhibition of recombinant Leishmania major NMT using GCGGSKVKPQPPQA[K-Biotin as peptide substrate incubated for 30 mins by scintillation luminescence counter analysis
50022397	5	ChEMBL_2500173	Binding affinity to recombinant Leishmania major NMT assessed as inhibition constant
50022397	6	ChEMBL_2500180	Inhibition of human NMT by scintillation proximity assay
50022397	7	ChEMBL_2500182	Inhibition of human NMT
50022397	8	ChEMBL_2500188	Inhibition of recombinant N-terminal Plasmodium falciparum NMT expressed in Escherichia coli using peptide substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by scintillation proximity assay
50022397	9	ChEMBL_2500189	Inhibition of recombinant N-terminal his-6 tagged human NMT expressed in Escherichia coli BL21 (DE3)pLysS using peptide substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by scintillation proximity assay
50022397	10	ChEMBL_2500196	Inhibition of recombinant his tagged Plasmodium falciparum NMT expressed in Escherichia coli
50022397	11	ChEMBL_2500198	Binding affinity to Plasmodium falciparum NMT assessed as inhibition constant using GSNKSKPKDASQRRR-NH2 as peptide substrate
50022397	12	ChEMBL_2500199	Inhibition of recombinant Plasmodium vivax NMT
50022397	13	ChEMBL_2500200	Inhibition of recombinant Plasmodium falciparum NMT
50022397	14	ChEMBL_2500202	Inhibition of recombinant human NMT
50022397	15	ChEMBL_2500203	Binding affinity to Plasmodium vivax NMT assessed as inhibition constant using YnMyr-CoA as substrate
50022397	16	ChEMBL_2500204	Binding affinity to human NMT assessed as inhibition constant
50022398	1	ChEMBL_2500207	Agonist activity at human CLpP by measuring alpha-casein hydrolysis using alpha-casein as substrate preincubated for 10 mins followed by substrate addition and measured after 120 mins by Coomassie brilliant blue staining based SDS-PAGE assay
50022398	2	ChEMBL_2500209	Agonist activity at human CLpP by measuring alpha-casein hydrolysis using alpha-casein as substrate by FITC staining based assay
50022399	1	ChEMBL_2500284	Inhibition of HIV-1 protease expressed in Escherichia coli incubated for 90 mins by fluorescence based analysis
50022399	2	ChEMBL_2500287	Binding affinity to human DNA polymerase gamma assessed as dissociation constant
50022399	3	ChEMBL_2500289	Inhibition of HIV-1 protease
50022399	4	ChEMBL_2500291	Displacement of [125I]MIP-1alpha from CCR5 receptor (unknown origin) expressed in HEK293 cells
50022399	5	ChEMBL_2500299	Inhibition of HIV-1 integrase
50022399	6	ChEMBL_2500305	Binding affinity to HIV1 Gag assessed as dissociation constant
50022400	1	ChEMBL_2500307	Inhibition of cyclic GMP-AMP synthase (unknown origin)
50022400	2	ChEMBL_2500308	Inhibition of wild type human IRAK4 (164 to 460 residues)
50022400	3	ChEMBL_2500309	Inhibition of IRAK4 (unknown origin)
50022400	4	ChEMBL_2500310	Inhibition of IRAK4 (unknown origin) by Ambit kinase assay
50022400	5	ChEMBL_2500311	Inhibition of IRAK1 (unknown origin) by Ambit kinase assay
50022400	6	ChEMBL_2500312	Inhibition of IRAK4 (unknown origin) by Kinase assay
50022400	7	ChEMBL_2500313	Inhibition of IRAK4 (unknown origin) by discoverX kinome scan assay
50022401	1	ChEMBL_2500321	Inhibition of ROS1 (unknown origin)
50022401	2	ChEMBL_2500322	Inhibition of human TRKA
50022401	3	ChEMBL_2500323	Inhibition of ALK (unknown origin) by TR-FRET assay
50022401	4	ChEMBL_2500324	Inhibition of TRKC (unknown origin)
50022401	5	ChEMBL_2500325	Inhibition of wild type N-terminal 6His-tagged TRKA G595R mutant (486 to 786 residues) (unknown origin) expressed in Escherichia coli measured after 60 mins by liquid scintillation method
50022401	6	ChEMBL_2500326	Inhibition of wild type N-terminal 6His-tagged TRKA G667C mutant (486 to 786 residues) (unknown origin) expressed in Escherichia coli measured after 60 mins by liquid scintillation method
50022401	7	ChEMBL_2500327	Inhibition of wild type N-terminal 6His-tagged TRKC G623R mutant (506 to 829 residues) (unknown origin) expressed in Escherichia coli measured after 60 mins by liquid scintillation method
50022401	8	ChEMBL_2500329	Inhibition of wild type N-terminal 6His-tagged human recombinant TRKA (502 to 796 residues) expressed in Bac-to-Bac baculovirus expression system incubated for 30 mins in presence of ATP by HTRF assay
50022401	9	ChEMBL_2500332	Inhibition of human ROS1 by discoverX kinome scan assay
50022401	10	ChEMBL_2500333	Inhibition of ALK (unknown origin) by kinome scan-based assay
50022401	11	ChEMBL_2500334	Inhibition of JAK2 (unknown origin)
50022401	12	ChEMBL_2500335	Inhibition of human intracellular domain of TRKA expressed in Sf9 cells incubated for 1 hr by HTRF method
50022401	13	ChEMBL_2500336	Inhibition of human intracellular domain of TRKB expressed in Sf9 cells incubated for 1 hr by HTRF method
50022401	14	ChEMBL_2500338	Inhibition of TRKA (unknown origin) by HTRF method
50022401	15	ChEMBL_2500339	Inhibition of PLK4 (unknown origin)
50022401	16	ChEMBL_2500340	Inhibition of FAK (unknown origin)
50022401	17	ChEMBL_2500341	Inhibition of PAK4 (unknown origin)
50022401	18	ChEMBL_2500344	Inhibition of TRKA (unknown origin)
50022401	19	ChEMBL_2500346	Inhibition of TRKB (unknown origin) by TR-FRET assay
50022401	20	ChEMBL_2500347	Inhibition of TRKA (unknown origin) by Ambit kinase assay
50022401	21	ChEMBL_2500348	Inhibition of TRKC (unknown origin) by TR-FRET assay
50022401	22	ChEMBL_2500349	Inhibition of AurA (unknown origin)
50022401	23	ChEMBL_2500350	Inhibition of AurB (unknown origin)
50022401	24	ChEMBL_2500351	Inhibition of His-tagged human recombinant TRKC G623R mutant
50022401	25	ChEMBL_2500352	Inhibition of TRKB (unknown origin)
50022401	26	ChEMBL_2500353	Inhibition of TRKC (unknown origin) by TR-FRET analysis
50022402	1	ChEMBL_2500354	Inhibition of AAK1 (unknown origin)
50022402	2	ChEMBL_2500356	Inhibition of TRKA (unknown origin) by Ambit kinase assay
50022402	3	ChEMBL_2500357	Inhibition of ALK (unknown origin) by TR-FRET assay
50022402	4	ChEMBL_2500359	Inhibition of PI3Kalpha (unknown origin)
50022402	5	ChEMBL_2500360	Inhibition of PI3Kbeta (unknown origin)
50022402	6	ChEMBL_2500361	Inhibition of PI3Kdelta (unknown origin)
50022402	7	ChEMBL_2500362	Inhibition of PI3Kgamma (unknown origin)
50022402	8	ChEMBL_2500367	Inhibition of RET (unknown origin)
50022402	9	ChEMBL_2500368	Inhibition of RET (unknown origin) by DiscoverX KINOMEscan assay
50022402	10	ChEMBL_2500369	Inhibition of PDK1 (unknown origin) incubated for 30 mins followed by substrate addition measured after 60 mins in presence of ATP by ADP-Glo luminescent assay
50022402	11	ChEMBL_2500371	Inhibition of RIPK1 (unknown origin)
50022402	12	ChEMBL_2500372	Inhibition of human RIPK1 by ADP-Glo assay
50022402	13	ChEMBL_2500373	Inhibition of RIPK3 (unknown origin)
50022403	1	ChEMBL_2500529	Inhibition of mushroom Tyrosinase
50022403	2	ChEMBL_2500530	Binding affinity to human Tyrosinase assessed as inhibition constant
50022403	3	ChEMBL_2500532	Inhibition of mushroom Tyrosinase by using L-DOPA as substrate by spectrophotometric assay
50022403	4	ChEMBL_2500533	Binding affinity to human Tyrosinase using L-DOPA as substrate assessed as inhibition constant by Michaelis-Menten analysis
50022403	5	ChEMBL_2500534	Binding affinity to human recombinant Tyrosinase expressed in Sf9 assessed as inhibition constant
50022403	6	ChEMBL_2500538	Inhibition of mushroom Tyrosinase using L-DOPA as substrate assessed as inhibition constant by Michaelis-Menten analysis
50022403	7	ChEMBL_2500539	Binding affinity to mushroom Tyrosinase using L-DOPA as substrate assessed as inhibition constant by Michaelis-Menten analysis
50022403	8	ChEMBL_2500540	Inhibition of human tyrosinase using L-DOPA as substrate by spectrophotometer analysis
50022404	1	ChEMBL_2500542	Inhibition of PRDX1 (unknown origin) in presence of cofactor A/cofactor B/NADPH incubated for 25 mins
50022405	1	ChEMBL_2500618	Inhibition of human recombinant PDE9A expressed in Sf9 cells assessed as inhibition of breakdown of cGMP
50022405	2	ChEMBL_2500619	Inhibition of PDE3 (unknown origin)
50022405	3	ChEMBL_2500620	Inhibition of PDE4 (unknown origin)
50022405	4	ChEMBL_2500621	Inhibition of PDE5 (unknown origin)
50022405	5	ChEMBL_2500622	Inhibition of PDE9A (unknown origin)
50022405	6	ChEMBL_2500625	Inhibition of full-length PDE9A1 (unknown origin)
50022405	7	ChEMBL_2500628	Inhibition of human recombinant PDE1C expressed in Sf9 cells assessed as inhibition of breakdown of cGMP
50022405	8	ChEMBL_2500630	Inhibition of PDE9A (unknown origin) by high-throughput screening analysis
50022405	9	ChEMBL_2500633	Inhibition of human PDE9A2 expressed in Sf9 cells using cGMP as substrate by scintillation proximity assay
50022405	10	ChEMBL_2500639	Inhibition of PDE1C (unknown origin)
50022405	11	ChEMBL_2500640	Inhibition of PDE9A (181 to 506 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50022405	12	ChEMBL_2500641	Inhibition of PDE1B2 (10 to 487 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50022405	13	ChEMBL_2500642	Inhibition of PDE5A1 (535 to 860 residues) (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50022405	14	ChEMBL_2500644	Inhibition of PDE9A2 (unknown origin)
50022405	15	ChEMBL_2500645	Inhibition of equine serum BuChE by Ellman's method
50022405	16	ChEMBL_2500646	Inhibition of AChE (unknown origin)
50022405	17	ChEMBL_2500647	Inhibition of PDE9A (unknown origin) using [3H]-cGMP substrate incubated for 15 mins by liquid scintillation counting method
50022405	18	ChEMBL_2500648	Inhibition of HDAC1 (unknown origin)
50022405	19	ChEMBL_2500649	Inhibition of HDAC6 (unknown origin)
50022406	1	ChEMBL_2500657	Binding affinity to SOS1 (unknown origin) assessed as inhibition constant
50022406	2	ChEMBL_2500659	Binding affinity to Cys12 residue of GDP bound human KRAS G12V mutant expressed in Escherichia coli BL21 Rosetta cells assessed as dissociation constant by HSQC NMR spectral analysis
50022406	3	ChEMBL_2500660	Inhibition of SOS1/KRAS G12C mutant (unknown origin) protein-protein interaction
50022406	4	ChEMBL_2500661	Binding affinity to human recombinant SOS1 assessed as inhibition constant
50022406	5	ChEMBL_2500663	Inhibition of EGFR (unknown origin)
50022406	6	ChEMBL_2500676	Inhibition of KRAS G12C mutant (unknown origin)
50022406	7	ChEMBL_2500677	Inhibition of SOS1/KRAS (unknown origin) protein-protein interaction by alpha screen assay
50022406	8	ChEMBL_2500678	Inhibition of SOS1 (unknown origin) by SPR assay
50022407	1	ChEMBL_2500689	Inhibition of Mycobacterium tuberculosis H37Rv N-terminal 6His-tagged Pk13 TE domain expressed in Escherichia coli BL21 (DE3) pLysS cells using 4-methylumbelliferyl heptanoate as a fluorogenic susbtrate incubated for 80 to 120 mins by fluorescence based microplate reader assay
50022407	2	ChEMBL_2500695	Inhibition of Mycobacterium tuberculosis recombinant Pks13 expressed in Escherichia coli BL21 (DE3) cells using 4-methylumbelliferyl heptanoate as substrate incubated for 3 hrs by Fluorescence polarization based analysis
50022408	1	ChEMBL_2500706	Inhibition of CDK2/CyclinA2 (unknown origin) by ADP-Glo assay
50022408	2	ChEMBL_2500707	Inhibition of CDK4/CyclinD1 (unknown origin) by ADP-Glo assay
50022408	3	ChEMBL_2500708	Inhibition of CDK6/CyclinD1 (unknown origin) by ADP-Glo assay
50022408	4	ChEMBL_2500709	Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) by ADP-Glo assay
50022408	5	ChEMBL_2500710	Inhibition of CDK9/CyclinT1 (unknown origin) by ADP-Glo assay
50022409	1	ChEMBL_2500814	Inhibition of NLRP3 in mouse BMDMs
50022409	2	ChEMBL_2500815	Inhibition of NLRP3 in human MDMs
50022409	3	ChEMBL_2500816	Inhibition of NLRP3 inflammasome in LPS-induced mouse BMDMs assessed as decrease in IL-1beta release preincubated for 30 mins followed by ATP addition and measured after 1 hr by ELISA
50022409	4	ChEMBL_2500817	Inhibition of NLRP3 inflammasome in LPS/ATP-induced mouse J774.A1 assessed as decrease in IL-1beta release incubated for 30 mins by ELISA
50022409	5	ChEMBL_2500818	Inhibition of recombinant human NLRP3 ATPase preincubated for 15 mins followed by ATP addition and measured after 40 mins by ADP-Glo kinase assay
50022409	6	ChEMBL_2500820	Inhibition of NLRP3 inflammasome in LPS-induced human J774.A1 cells assessed as reduction in IL-1beta release preincubated for 1 hr followed by ATP addition and measured after 30 mins by ELISA
50022409	7	ChEMBL_2500821	Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells incubated for 30 mins in presence of [gamma32P]ATP by scintillation counting method
50022409	8	ChEMBL_2500822	Inhibition of GSK3beta (unknown origin)
50022409	9	ChEMBL_2500823	Inhibition of GST-tagged GSK3beta (unknown origin)
50022409	10	ChEMBL_2500824	Inhibition of recombinant human GSK3beta using biotin-AAEELDSRAGS(PO3H2)PQL as substrate preincubated for 10 to 15 mins followed by gamma-32P[ATP] and measured after 20 mins by liquid scintillation counting analysis
50022409	11	ChEMBL_2500825	Inhibition of GSK3beta (unknown origin) expressed in 3T3 cells assessed as reduction in tau phosphorylation incubated 4 hrs by Western blotting analysis
50022409	12	ChEMBL_2500826	Inhibition of GSK3beta (unknown origin) using GS-1 as substrate incubated for 20 mins in presence of gamma-32P[ATP] by liquid scintillation counting analysis
50022410	1	ChEMBL_2500853	Inhibition of human cathepsin B incubated for 30 mins by fluorescence based analysis
50022410	2	ChEMBL_2500854	Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells using DabcylKNSTLQSGLRKE-Edan as fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 20 mins by FRET assay
50022410	3	ChEMBL_2500856	Inhibition of human cathepsin L incubated for 30 mins by fluorescence based analysis
50022410	4	ChEMBL_2500861	Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 5 mins by FRET assay
50022410	5	ChEMBL_2500862	Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 15 mins by FRET assay
50022410	6	ChEMBL_2500863	Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 30 mins by FRET assay
50022410	7	ChEMBL_2500864	Time dependent inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells measured after 60 mins by FRET assay
50022410	8	ChEMBL_2500866	Binding affinity to SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) Rosetta competent cells assessed as inhibition constant
50022411	1	ChEMBL_2501159	Inhibition of porcine kidney CD13 using L-leucine-p-nitroanilide as substrate incubated for 30 mins by microplate reader analysis
50022411	2	ChEMBL_2501160	Inhibition of human CD13 using L-leucine-p-nitroanilide as substrate incubated for 30 mins by microplate reader analysis
50022411	3	ChEMBL_2501161	Inhibition of human HDAC1 using Boc-Lys (acetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	4	ChEMBL_2501162	Inhibition of human HDAC2 using Boc-Lys (acetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	5	ChEMBL_2501163	Inhibition of human HDAC3 using Boc-Lys (acetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	6	ChEMBL_2501165	Inhibition of human HDAC4 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	7	ChEMBL_2501166	Inhibition of human HDAC5 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	8	ChEMBL_2501167	Inhibition of human HDAC6 using Boc-Lys (acetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	9	ChEMBL_2501168	Inhibition of human HDAC7 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	10	ChEMBL_2501169	Inhibition of human HDAC8 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	11	ChEMBL_2501170	Inhibition of human HDAC9 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	12	ChEMBL_2501171	Inhibition of human HDAC10 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022411	13	ChEMBL_2501172	Inhibition of human HDAC11 using Boc-Lys (tri-fluoroacetyl)-AMC as substrate incubated for 1 hr followed by substrate addition and further incubated for 2 hrs by fluorescence assay
50022412	1	ChEMBL_2501205	Inhibition of human recombinant ATX using lysoPLD as substrate incubated for 3 hrs by fluorescence based analysis
50022412	2	ChEMBL_2501206	Inhibition of ATX (unknown origin)
50022413	1	ChEMBL_2501214	Inhibition of UBE2M neddylation in human AGS cells incubated for 3 days by immunoblot analysis
50022413	2	ChEMBL_2501220	Inhibition of GST-tagged recombinant human UBE2M/His-tagged human NEDD8 interaction by HTRF assay
50022414	1	ChEMBL_2501243	Inhibition of recombinant human N-terminal GST-tagged FGFR1 (399 to 822 residues) expressed in baculovirus infected Sf9 cells incubated for 60 mins in presence of ATP by ADP-Glo luminescence microplate reader assay
50022415	1	ChEMBL_2501282	Inhibition of PI3Kalpha (unknown origin) by ADP-Glo luminescent kinase assay
50022415	2	ChEMBL_2501283	Inhibition of PI3Kbeta (unknown origin) by ADP-Glo luminescent kinase assay
50022415	3	ChEMBL_2501284	Inhibition of PI3Kdelta (unknown origin) by ADP-Glo luminescent kinase assay
50022415	4	ChEMBL_2501285	Inhibition of PI3Kgamma (unknown origin) by ADP-Glo luminescent kinase assay
50022415	5	ChEMBL_2501286	Inhibition of mTOR (unknown origin) by lance ultra assay
50022416	1	ChEMBL_2501355	Inhibition of MEK1 (unknown origin) by biochemical assay
50022416	2	ChEMBL_2501356	Inhibition of CSF1R (unknown origin) by biochemical assay
50022416	3	ChEMBL_2501357	Inhibition of KIT receptor (unknown origin) by biochemical assay
50022416	4	ChEMBL_2501358	Inhibition of human recombinant FGFR1 by enzymatic assay
50022416	5	ChEMBL_2501359	Inhibition of human recombinant FGFR2 by enzymatic assay
50022416	6	ChEMBL_2501360	Inhibition of human recombinant FGFR3 by enzymatic assay
50022416	7	ChEMBL_2501361	Inhibition of human recombinant FGFR4 by enzymatic assay
50022416	8	ChEMBL_2501362	Inhibition of KIT D816V mutant (unknown origin)
50022416	9	ChEMBL_2501363	Inhibition of PDGFRA (unknown origin)
50022416	10	ChEMBL_2501364	Inhibition of KIT (unknown origin)
50022416	11	ChEMBL_2501365	Inhibition of PDGFRA exon 18 (unknown origin)
50022416	12	ChEMBL_2501369	Binding affinity to 5-HT2A receptor (unknown origin) assessed as inhibition constant
50022416	13	ChEMBL_2501370	Inhibition of MEK1/2 (unknown origin)
50022417	1	ChEMBL_2501374	Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50022417	2	ChEMBL_2501375	Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50022417	3	ChEMBL_2501376	Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50022417	4	ChEMBL_2501377	Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50022417	5	ChEMBL_2501378	Displacement of [3H]-raclopride from human D2 receptor expressed in HEK293 cell membranes assessed as inhibition constant incubated for 1 hr by Microbeta plate reader based analysis
50022417	6	ChEMBL_2501384	Inhibition of full length human recombinant CDK5/p25 using histone H1 as substrate assessed as residual activity incubated for 15 mins by luciferase based ADP-Glo kinase assay
50022417	7	ChEMBL_2501412	Inhibition of CDK5/p25 (unknown origin)
50022417	8	ChEMBL_2501413	Binding affinity to CDK5/p25 (unknown origin)
50022418	1	ChEMBL_2501504	Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 cells assessed as reduction in IL-1beta secretion pre-stimulated with PMA for 24 hrs followed by compound addition and measured after 30 mins by ELISA
50022418	2	ChEMBL_2501537	Binding affinity to CM5 chip immobilized NLRP3 (unknown origin) assessed as dissociation constant by SPR analysis
50022419	1	ChEMBL_2501545	Inhibition of PI3K alpha (unknown origin) incubated for 1 hr in presence of ATP by ADP-glo based luminescence assay
50022419	2	ChEMBL_2501546	Inhibition of PI3K delta (unknown origin) incubated for 1 hr in presence of ATP by ADP-glo based luminescence assay
50022419	3	ChEMBL_2501547	Inhibition of PI3K gamma (unknown origin) incubated for 1 hr in presence of ATP by ADP-glo based luminescence assay
50022419	4	ChEMBL_2501555	Inhibition of PI3K beta (unknown origin) measured after 1 hr in presence of ATP by ADP-glo based luminescence assay
50022419	5	ChEMBL_2501556	Inhibition of PI3K alpha in human SK-OV-3 cells incubated for 2 hrs by Western blot analysis
50022419	6	ChEMBL_2501557	Inhibition of PI3K beta in human 786-0 cells incubated for 2 hrs by Western blot analysis
50022419	7	ChEMBL_2501558	Inhibition of PI3K gamma in mouse RAW264.7 cells incubated for 2 hrs by Western blot analysis
50022419	8	ChEMBL_2501559	Inhibition of PI3K delta in human Raji cells incubated for 2 hrs by Western blot analysis
50022419	9	ChEMBL_2501560	Inhibition of PI3K alpha (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis
50022419	10	ChEMBL_2501561	Inhibition of PI3K beta (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis
50022419	11	ChEMBL_2501562	Inhibition of PI3K gamma (unknown origin) measured after 4 hr in presence of alpha-32P-ATP by TLC analysis
50022419	12	ChEMBL_2501563	Inhibition of PI3K delta (unknown origin) measured after 2 hr in presence of alpha-32P-ATP by TLC analysis
50022420	1	ChEMBL_2501591	Binding affinity to D3 receptor (unknown origin)
50022420	2	ChEMBL_2501592	Binding affinity to D2 receptor (unknown origin)
50022420	3	ChEMBL_2501593	Binding affinity to human D3 receptor expressed in CHO-K1 cells assessed as inhibition of dopamine-induced beta-arrestin recruitment preincubated for 30 mins followed by dopamine addition and measured after 90 mins by pathhunter assay
50022420	4	ChEMBL_2501594	Displacement of [125I]IABN from human D2L receptor expressed in HEK cells measured after 60 mins by gamma counting method
50022420	5	ChEMBL_2501595	Displacement of [125I]IABN from human D3 receptor expressed in HEK cells measured after 60 mins by gamma counting method
50022421	1	ChEMBL_2501598	Inhibition of Saccharomyces cerevisiae Alpha-glucosidase using p-NPG as substrate and measured after 10 mins
50022421	2	ChEMBL_2501599	Noncompetitive inhibition of Saccharomyces cerevisiae Alpha-glucosidase assessed as decrease in Vmax with constant Km using p-NPG as substrate by Lineweaver-Burk plot analysis
50022422	1	ChEMBL_2501695	Inhibition of SIRT1 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay
50022422	2	ChEMBL_2501696	Inhibition of FLT3 (unknown origin) using 33P-ATP as substrate incubated for 120 mins by radiometric kinase assay
50022422	3	ChEMBL_2501697	Inhibition of aromatase (unknown origin) assessed as inhbition constant
50022422	4	ChEMBL_2501699	Binding affinity to GRP78 (unknown origin) assessed as dissociation constant
50022422	5	ChEMBL_2501700	Binding affinity to human recombinant full length HSPA8 (42 to 401 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation constant
50022422	6	ChEMBL_2501701	Binding affinity to HSPA1A (unknown origin) assessed as dissociation constant
50022422	7	ChEMBL_2501720	Inhibition of GRP78 (unknown origin) by FP assay
50022422	8	ChEMBL_2501725	Inhibition of His-tagged human recombinant GRP78 expressed in Escherichia coli BL21 (DE3) cells
50022423	1	ChEMBL_2501728	Inhibition of FLT1 (unknown origin)
50022423	2	ChEMBL_2501729	Inhibition of FGFR4 (unknown origin) by ELISA method
50022423	3	ChEMBL_2501733	Inhibition of human FMS by Z'-Lyte kinase assay
50022423	4	ChEMBL_2501734	Inhibition of FMS (unknown origin) by biochemical hotspot kinase assay
50022423	5	ChEMBL_2501737	Inhibition of VEGFR-1 (unknown origin) in presence of ATP
50022423	6	ChEMBL_2501738	Inhibition of VEGFR-2 (unknown origin) in presence of ATP incubated for 45 mins by ELISA method
50022423	7	ChEMBL_2501739	Inhibition of VEGFR-3 (unknown origin)
50022423	8	ChEMBL_2501740	Inhibition of FGFR1 (unknown origin)
50022423	9	ChEMBL_2501741	Inhibition of TRKB (unknown origin) by Ambit kinase assay
50022423	10	ChEMBL_2501742	Inhibition of FLT3 (unknown origin) by enzymatic assay
50022423	11	ChEMBL_2501743	Inhibition of KIT (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50022423	12	ChEMBL_2501744	Inhibition of PDGFRalpha (unknown origin)
50022423	13	ChEMBL_2501745	Inhibition of CSF1R (unknown origin) using ATP as substrate incubated for 1 hr by Z-LYTE based FRET assay
50022423	14	ChEMBL_2501746	Inhibition of CSF1R (unknown origin)
50022423	15	ChEMBL_2501747	Inhibition of CSF1-induced CSF1R signalling in mouse BMDM cells assessed as reduction in ERK1/2 phosphorylation preincubated for 30 mins followed by CSF1 addition and measured after 10 mins
50022423	16	ChEMBL_2501748	Inhibition of KIT (unknown origin)
50022423	17	ChEMBL_2501749	Inhibition of LCK (unknown origin) using TK as substrate incubated for 30 mins by HTRF assay
50022423	18	ChEMBL_2501750	Inhibition of TRKC (unknown origin)
50022423	19	ChEMBL_2501751	Inhibition of TRKC (unknown origin) by TR-FRET assay
50022423	20	ChEMBL_2501752	Inhibition of human AURKC by discoverX kinome scan assay
50022423	21	ChEMBL_2501753	Inhibition of AURKC (unknown origin)
50022423	22	ChEMBL_2501754	Inhibition of KDR (unknown origin)
50022423	23	ChEMBL_2501755	Inhibition of FLT3 ITD mutant (unknown origin) preincubated for 60 mins followed by ATP addition and measured after 1 hr by ADP-Glo assay
50022423	24	ChEMBL_2501756	Inhibition of KIT (unknown origin) using ATP as substrate incubated for 1 hrs by ELISA
50022423	25	ChEMBL_2501757	Inhibition of c-Kit (unknown origin) in presence of ATP
50022423	26	ChEMBL_2501760	Inhibition of FMS (unknown origin) by kinase assay
50022423	27	ChEMBL_2501761	Inhibition of CSF1R (unknown origin) incubated for 1 hrs by Z'-LYTE Kinase assay kit
50022423	28	ChEMBL_2501762	Inhibition of FGFR1 (unknown origin) by ELISA method
50022423	29	ChEMBL_2501763	Inhibition of FGFR2 (unknown origin) by ELISA method
50022423	30	ChEMBL_2501764	Inhibition of FGFR3 (unknown origin) by ELISA method
50022423	31	ChEMBL_2501765	Inhibition of AXL (unknown origin) by FRET assay
50022423	32	ChEMBL_2501766	Inhibition of VEGFR-2 (unknown origin) by ELISA method
50022423	33	ChEMBL_2501767	Inhibition of c-Met (unknown origin) by mobility shift assay
50022424	1	ChEMBL_2501782	Inhibition of CDK7 (unknown origin)
50022424	2	ChEMBL_2501783	Inhibition of CLK2 (unknown origin)
50022424	3	ChEMBL_2501784	Inhibition of CLK4 (unknown origin)
50022424	4	ChEMBL_2501785	Inhibition of CLK1 (unknown origin)
50022424	5	ChEMBL_2501786	Inhibition of CK1epsilon (unknown origin)
50022424	6	ChEMBL_2501787	Inhibition of DYRK1A (unknown origin)
50022425	1	ChEMBL_2501839	Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay
50022425	2	ChEMBL_2501841	Binding affinity to full length human recombinant MMP-13 using Mca-PLGL-Dpa-AR-NH2 as fluorogenic peptide substrate assessed as inhibition constant
50022425	3	ChEMBL_2501853	Inhibition of Hepatitis C virus NS5B polymerase
50022425	4	ChEMBL_2501854	Inhibition of BTK (unknown origin)
50022425	5	ChEMBL_2501855	Binding affinity to DLK (unknown origin) assessed as inhibition constant
50022425	6	ChEMBL_2501856	Inhibition of DRG1 (unknown origin)
50022425	7	ChEMBL_2501867	Inhibition of BACE1 (unknown origin)
50022425	8	ChEMBL_2501868	Inhibition of BACE2 (unknown origin)
50022426	1	ChEMBL_2501924	Inhibition of Staphylococcus aureus DNA gyrase using supercoiled pBR322 DNA as substrate incubated for 60 mins by ethidium bromide staining based agarose gel electrophoresis method
50022426	2	ChEMBL_2501925	Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50022426	3	ChEMBL_2501926	Inhibition of Staphylococcus aureus topoisomerase-IV assessed as reduction in decatenation using kinetoplast DNA as substrate incubated for 30 mins by ethidium bromide staining based agarose gel electrophoresis method
50022427	1	ChEMBL_2501950	Inhibition of recombinant human AChE using acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured for 3 mins by Ellman's method
50022427	2	ChEMBL_2501951	Inhibition of human serum BChE using butyrylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured for 3 mins by Ellman's method
50022427	3	ChEMBL_2501953	Inhibition of NMDA/glycine-activated rat GluN1/Glu2A expressed in xenopus laevis oocytes at -75 mV holding potential by voltage clamp method
50022427	4	ChEMBL_2501954	Inhibition of NMDA/glycine-activated rat GluN1/Glu2B expressed in xenopus laevis oocytes at -75 mV holding potential by voltage clamp method
50022428	1	ChEMBL_2501974	Inhibition of human carbonic anhydrase 9 preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric method
50022428	2	ChEMBL_2501975	Inhibition of human carbonic anhydrase 12 preincubated for 15 mins followed by substrate addition and measured after 30 mins by spectrophotometric method
50022428	3	ChEMBL_2502181	Binding affinity to human CA9 assessed as inhibition constant by phenol red dye based stopped flow CO2 hydration assay
50022428	4	ChEMBL_2502182	Binding affinity to human CA9 assessed as inhibition constant
50022428	5	ChEMBL_2502183	Binding affinity to human CA12 assessed as inhibition constant
50022429	1	ChEMBL_2502186	Antagonist activity at human RAR-alpha transfected in human HeLa cells co-transfected with RARE-CAT reporter gene assessed as inhibition of ATRA-induced CAT expression measured after 24 hrs by transactivation competition assay
50022429	2	ChEMBL_2502187	Antagonist activity at human RAR-beta transfected in human HeLa cells co-transfected with RARE-CAT reporter gene assessed as inhibition of ATRA-induced CAT expression measured after 24 hrs by transactivation competition assay
50022429	3	ChEMBL_2502188	Antagonist activity at human RAR-gamma transfected in human HeLa cells co-transfected with RARE-CAT reporter gene assessed as inhibition of ATRA-induced CAT expression measured after 24 hrs by transactivation competition assay
50022429	4	ChEMBL_2502193	Agonist activity at recombinant human RAR-alpha expressed in mammalian cells by luciferase reporter gene based transactivation assay
50022429	5	ChEMBL_2502194	Agonist activity at recombinant human RAR-beta expressed in mammalian cells by luciferase reporter gene based transactivation assay
50022429	6	ChEMBL_2502195	Agonist activity at recombinant human RAR-gamma expressed in mammalian cells by luciferase reporter gene based transactivation assay
50022429	7	ChEMBL_2502196	Antagonist activity at recombinant human RAR-alpha expressed in mammalian cells in presence of 9-cis-RA by luciferase reporter gene based transactivation assay
50022429	8	ChEMBL_2502197	Antagonist activity at recombinant human RAR-beta expressed in mammalian cells in presence of ATRA by luciferase reporter gene based transactivation assay
50022429	9	ChEMBL_2502198	Antagonist activity at recombinant human RAR-gamma expressed in mammalian cells in presence of ATRA by luciferase reporter gene based transactivation assay
50022430	1	ChEMBL_2502299	Inhibition of human JNK1 in presence of ATP
50022430	2	ChEMBL_2502300	Inhibition of human JNK2 in presence of ATP
50022430	3	ChEMBL_2502301	Inhibition of human JNK3 in presence of ATP
50022430	4	ChEMBL_2502377	Inhibition of JNK1 (unknown origin) expressed in HEK293 cells assessed as target engagement incubated for 1 hr by NanoBRET assay
50022431	1	ChEMBL_2502382	Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTRF method
50022431	2	ChEMBL_2502385	Inhibition of human recombinant SOS1/KRAS G12D mutant protein-protein interaction expressed in Escherichia coli BL21 (DE3) cells incubated for 3 hrs by HTRF analysis
50022431	3	ChEMBL_2502386	Inhibition of SOS1 in human Calu-1 cells assessed as reduction in pERK level incubated for 24 hrs by HTRF analysis
50022431	4	ChEMBL_2502387	Inhibition of SOS1 (unknown origin)
50022431	5	ChEMBL_2502388	Inhibition of human SOS1/GST-tagged KRAS G12C mutant (unknown origin) protein-protein interaction expressed in Escherichia coli BL21(DE3) measured after 30 mins by NMR analysis
50022431	6	ChEMBL_2502390	Inhibition of SOS1 (unknown origin) by HTRF assay
50022431	7	ChEMBL_2502396	Inhibition of EGFR (unknown origin)
50022431	8	ChEMBL_2502403	Binding affinity to GST-tagged human SOS1 (564 to 1049 residues) expressed in Escherichia coli BL21 (DE3) cells assessed dissociation constant incubated for 15 mins by fluorescence polarization-based displacement assay
50022432	1	ChEMBL_2502431	Inhibition of EGFR del19/T790M/C797S triple mutant (unknown origin) in presence of ATP by FRET assay
50022432	2	ChEMBL_2502432	Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) in presence of ATP by FRET assay
50022432	3	ChEMBL_2502433	Inhibition of wild type EGFR (unknown origin) in presence of ATP by FRET assay
50022432	4	ChEMBL_2502440	Inhibition of EGFR phosphorylation in human PC-9 cells harboring Del19/T790M/C797S mutant incubated for 6 hrs by Western blot analysis
50022432	5	ChEMBL_2502443	Inhibition of EGFR phosphorylation in human A-431 cells harboring wild type EGFR incubated for 6 hrs by Western blot analysis
50022433	1	ChEMBL_2502482	Inhibition of G9a (unknown origin)
50022433	2	ChEMBL_2502484	Inhibition of GLP (unknown origin)
50022434	1	ChEMBL_2502512	Agonist activity at PPARgamma in HEK293 cells assessed as transactivation incubated for 5 to 10 mins by microplate reader analysis
50022435	1	ChEMBL_2502550	Inhibition of HDAC6 (unknown origin)
50022435	2	ChEMBL_2502552	Inhibition of HDAC6 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 1 hr by fluorescence based assay
50022435	3	ChEMBL_2502553	Inhibition of HDAC1 (unknown origin) preincubated for 10 mins followed by substrate addition measured for 1 hr by fluorescence based assay
50022435	4	ChEMBL_2502560	Inhibition of HDAC2 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	5	ChEMBL_2502561	Inhibition of HDAC3 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	6	ChEMBL_2502562	Inhibition of HDAC8 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	7	ChEMBL_2502563	Inhibition of HDAC4 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	8	ChEMBL_2502564	Inhibition of HDAC5 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	9	ChEMBL_2502565	Inhibition of HDAC7 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	10	ChEMBL_2502566	Inhibition of HDAC9 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022435	11	ChEMBL_2502567	Inhibition of HDAC11 (unknown origin) preincubated for 10 mins followed by substrate addition by fluorescence based assay
50022436	1	ChEMBL_2502637	Inhibition of GPX4 (unknown origin) incubated for 1 hr by absorbance based assay
50022437	1	ChEMBL_2502689	Inhibition of BTK (unknown origin)
50022437	2	ChEMBL_2502690	Inhibition of BTK (unknown origin) using TK as substrate incubated for 1 hr by HTRF assay
50022437	3	ChEMBL_2502692	Inhibition of full length BTK C481S mutant (unknown origin) in presence of ATP
50022437	4	ChEMBL_2502693	Inhibition of BTK (unknown origin) by Ambit kinase assay
50022437	5	ChEMBL_2502694	Inhibition of human recombinant HDAC6
50022437	6	ChEMBL_2502695	Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate by fluorescence assay
50022437	7	ChEMBL_2502696	Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay
50022437	8	ChEMBL_2502697	Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based analysis
50022437	9	ChEMBL_2502698	Inhibition of human recombinant HDAC6 using RHKKAc-AMC as substrate by fluorescence based assay
50022437	10	ChEMBL_2502699	Inhibition of HDAC1 (unknown origin)
50022437	11	ChEMBL_2502700	Inhibition of HDAC2 (unknown origin)
50022437	12	ChEMBL_2502701	Inhibition of HDAC3 (unknown origin)
50022437	13	ChEMBL_2502702	Inhibition of PI3Kalpha (unknown origin)
50022437	14	ChEMBL_2502703	Inhibition of PI3Kbeta (unknown origin)
50022437	15	ChEMBL_2502704	Inhibition of PI3Kdelta (unknown origin)
50022437	16	ChEMBL_2502705	Inhibition of PI3Kgamma (unknown origin)
50022437	17	ChEMBL_2502706	Inhibition of N-terminal 6xHis-tagged recombinant full-length human PI3Kdelta expressed in baculovirus infected Sf21 insect cells by ADP-Glo assay
50022437	18	ChEMBL_2502708	Binding affinity to Plasmodium falciparum DHFR assessed as inhibition constant
50022437	19	ChEMBL_2502709	Inhibition of PNP (unknown origin)
50022437	20	ChEMBL_2502711	Agonist activity at RXRalpha (unknown origin) expressed in CHO-K1 cells
50022437	21	ChEMBL_2502712	Agonist activity at RXRbeta (unknown origin)
50022437	22	ChEMBL_2502713	Agonist activity at RXRgamma (unknown origin)
50022437	23	ChEMBL_2502715	Inhibition of SRC (unknown origin) assessed as inhibition constant
50022437	24	ChEMBL_2502716	Binding affinity to wild type human BCR-ABL1 using Tyr2 peptide as substrate assessed as inhibition constant Z-LYTE assay
50022437	25	ChEMBL_2502725	Inhibition of c-Kit (unknown origin)
50022437	26	ChEMBL_2502726	Inhibition of EZH1 (unknown origin) preincubated for 15 mins followed by addition of substrate measured after 1 hr by AlphaLISA assay
50022437	27	ChEMBL_2502727	Inhibition of EZH2 (unknown origin) using SAM as substrate preincubated for 10 mins followed by substrate addition and measured after 1 hr by HTRF analysis
50022438	1	ChEMBL_2502764	Binding affinity to influenza A virus Nucleoprotein assessed as dissociation constant by SPR analysis
50022439	1	ChEMBL_2502779	Inhibition of PARP7 (unknown origin)
50022439	2	ChEMBL_2502780	Binding affinity to PARP7 (unknown origin) assessed as dissociation constant
50022439	3	ChEMBL_2502781	Inhibition of PARP7 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay
50022439	4	ChEMBL_2502786	Inhibition of PARP1 (unknown origin)
50022439	5	ChEMBL_2502787	Inhibition of PARP2 (unknown origin)
50022439	6	ChEMBL_2502788	Inhibition of PARP11 (unknown origin)
50022439	7	ChEMBL_2502789	Inhibition of PARP12 (unknown origin)
50022439	8	ChEMBL_2502790	Inhibition of PARP14 (unknown origin)
50022440	1	ChEMBL_2502839	Inhibition of human N-terminal His-tagged EZH2 (2 to end residues) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	2	ChEMBL_2502840	Inhibition of EZH2 A677G mutant (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	3	ChEMBL_2502841	Inhibition of human N-terminal His-tagged EZH1 (2 to end residues) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	4	ChEMBL_2502842	Inhibition of EZH2 Y641F mutant (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	5	ChEMBL_2502865	Inhibition of EZH2 Y641C mutant (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	6	ChEMBL_2502866	Inhibition of EZH2 Y641N mutant (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022440	7	ChEMBL_2502867	Inhibition of EZH2 Y641S mutant (unknown origin) using [3H]-SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 180 mins by AlphaLISA assay
50022441	1	ChEMBL_2502899	Inhibition of human 20S immuno proteosome beta5i subunit using Ac-ANW-AMC as substrate measured after 30 mins
50022441	2	ChEMBL_2502900	Inhibition of human 20S immuno proteosome beta5c subunit using Ac-WLA-AMC as substrate measured after 30 mins
50022441	3	ChEMBL_2502901	Inhibition of human 20S immuno proteosome beta1i subunit using Ac-PAL-AMC as substrate measured after 30 mins
50022442	1	ChEMBL_2502972	Inhibition of PARP1 (unknown origin) incubated for 10 mins by chemiluminescence assay
50022443	1	ChEMBL_2503020	Inhibition of CDK9 (unknown origin) in presence of ATP
50022443	2	ChEMBL_2503041	Inhibition of human CDK9/Cyclin T1 in presence of ATP by radiometric kinase assay
50022444	1	ChEMBL_2503171	Inhibition of EGFR Del19/T790M/C797S mutant (unknown origin)
50022444	2	ChEMBL_2503172	Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin)
50022444	3	ChEMBL_2503195	Inhibition of recombinant EGFR Del19/T790M/C797S mutant (unknown origin) preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-glo based luminescence assay
50022444	4	ChEMBL_2503196	Inhibition of recombinant EGFR Del19/T790M/C797S mutant (unknown origin) in presence of ATP by TR-FRET assay
50022444	5	ChEMBL_2503197	Inhibition of recombinant EGFR L858R/T790M/C797S mutant (unknown origin) by TR-FRET assay
50022445	1	ChEMBL_2503277	Displacement of 3H-LTB4 from human BLT2 expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by liquid scintillation counter analysis
50022446	1	ChEMBL_2503580	Inhibition of DCLK1 (unknown origin) in presence of 33P-ATP
50022446	2	ChEMBL_2503581	Inhibition of DCLK1 (unknown origin)
50022446	3	ChEMBL_2503584	Inhibition of DCLK1 (unknown origin) preincubated for 10 mins followed by substrate/ATP addition measured after 60 mins by mobility shift assay
50022447	1	ChEMBL_2503645	Agonist activity at STING in wild type human THP1-Dual cells assessed as increase in IRF-mediated immune response incubated for 24 hrs by QUANTI-Luc assay
50022447	2	ChEMBL_2503692	Agonist activity at STING (unknown origin)
50022448	1	ChEMBL_2503696	Inhibition of recombinant wild type FLT3 kinase domain (unknown origin) using peptide substrate incubated for for 30 mins by HTRF assay
50022448	2	ChEMBL_2503700	Inhibition of recombinant FLT3 D835Y mutant (unknown origin) using peptide substrate incubated for for 30 mins by HTRF assay
50022449	1	ChEMBL_2503719	Inhibition of human AChE using acetylthiocholine iodide as substrate measured after 15 to 20 mins by DTNB reagent based Ellman's method
50022449	2	ChEMBL_2503721	Inhibition of human BuChE measured after 15 to 20 mins by DTNB reagent based Ellman's method
50022449	3	ChEMBL_2503725	Inhibition of human GSK3beta by luminescent microplate reader method
50022449	4	ChEMBL_2503728	Inhibition of human tau protein aggregation incubated for 1.5 hrs by TMB substrate based ELISA
50022449	5	ChEMBL_2503730	Inhibition of self mediated Amyloid beta (1 to 42) (unknown origin) aggregation measured every 5 mins by ThT fluorescence based assay
50022450	1	ChEMBL_2503795	Inhibition of HIV1 reverse transcriptase using r(A)350 template and d(T)16 primer as substrate preincubated for 1 hr before adding substrate by PicoGreen EnzChek Reverse Transcriptase Assay
50022451	1	ChEMBL_2503977	Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 90 mins by competitive radioligand binding assay
50022451	2	ChEMBL_2503978	Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 90 mins by competitive radioligand binding assay
50022451	3	ChEMBL_2503979	Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 90 mins by competitive radioligand binding assay
50022451	4	ChEMBL_2503980	Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 90 mins by competitive radioligand binding assay
50022451	5	ChEMBL_2503981	Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cell membrane assessed as inhibition constant incubated for 90 mins by competitive radioligand binding assay
50022452	1	ChEMBL_2503992	Inhibition of full-length recombinant human PDE1A using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	2	ChEMBL_2503993	Inhibition of full-length recombinant human PDE2A using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	3	ChEMBL_2503994	Inhibition of full-length recombinant human PDE3A using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	4	ChEMBL_2503995	Inhibition of his-tagged recombinant human PDE4D catalytic domain (T86 to S413 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022452	5	ChEMBL_2503996	Inhibition of his-tagged recombinant human PDE5A catalytic domain (E535 to Q860 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	6	ChEMBL_2503997	Inhibition of full-length recombinant human PDE6C using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	7	ChEMBL_2503998	Inhibition of his-tagged recombinant human PDE7A catalytic domain (S130 to S482 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022452	8	ChEMBL_2503999	Inhibition of full-length recombinant human PDE8A using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022452	9	ChEMBL_2504000	Inhibition of his-tagged recombinant human PDE9A catalytic domain (P181 to K506 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cGMP as substrate incubated for 10 mins by SPA assay
50022452	10	ChEMBL_2504001	Inhibition of his-tagged recombinant human PDE10A catalytic domain (S439 to A766 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022452	11	ChEMBL_2504002	Inhibition of full-length recombinant human PDE11A using [3H]-cAMP as substrate incubated for 10 mins by SPA assay
50022453	1	ChEMBL_2504033	Inhibition of Full length wild type mouse RyR2 expressed in Flp-In-T-REx-293 cells assessed as increase in Ca2+ release endoplasmic reticulum by flex-station 3 fluorometer analysis
50022454	1	ChEMBL_2504041	Inhibition of human recombinant TrkA using Poly (Glu,Tyr) 4:1 as substrate in presence of ATP by kinase-Glo luminescence assay
50022454	2	ChEMBL_2504042	Inhibition of human recombinant GST-tagged-ALK2 (147 to 509 residues) using Casein as substrate in presence of ATP by ADP-Glo luminescence assay
50022454	3	ChEMBL_2504043	Inhibition of human recombinant full-length PIM1 expressed in baculovirus infected Sf9 cells using S6K as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022454	4	ChEMBL_2504044	Inhibition of human recombinant full-length C-terminal His tagged-CK2 alpha expressed in Escherichia coli using tetra-methylbenzidine as substrate in presence of ATP by ELISA analysis
50022454	5	ChEMBL_2504045	Inhibition of human recombinant CHK1 using CHKtide as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022454	6	ChEMBL_2504046	Inhibition of human CDK2 by ELISA analysis
50022454	7	ChEMBL_2504064	Inhibition of human recombinant N-terminal GST tagged-c-KIT (544 to end residues) expressed in baculovirus infected Sf9 cells using Poly (Glu,Tyr) 4:1 as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022454	8	ChEMBL_2504065	Inhibition of human recombinant GST tagged-EGFR using Poly (Glu,Tyr) 4:1 as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022454	9	ChEMBL_2504066	Inhibition of human recombinant GST tagged-RET using IRF-1Rtide as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022454	10	ChEMBL_2504067	Inhibition of human recombinant GST tagged-ROS1 using IRF-1Rtide as substrate in presence of ATP by ADP-Glo luminescence kinase assay
50022455	1	ChEMBL_2504117	Binding affinity to Folate receptor alpha in human KB cells assessed as dissociation constant
50022455	2	ChEMBL_2504118	Binding affinity to Folate receptor beta in mouse RAW264.7 cells assessed as dissociation constant
50022456	1	ChEMBL_2504147	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using nitrophenol-alpha-D-glucopyranoside (pNPG) as substrate incubated for 15 mins
50022456	2	ChEMBL_2504150	Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using nitrophenol-alpha-D-glucopyranoside (pNPG) as substrate at 24 to 48 uM measured after 15 mins by Lineweaver-Burk plot analysis
50022456	3	ChEMBL_2504151	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using nitrophenol-alpha-D-glucopyranoside (pNPG) as substrate at 24 to 48 uM measured after 15 mins by Lineweaver-Burk plot analysis
50022457	1	ChEMBL_2504191	Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo kinase assay
50022457	2	ChEMBL_2504194	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo kinase assay
50022457	3	ChEMBL_2504195	Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	4	ChEMBL_2504196	Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	5	ChEMBL_2504197	Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	6	ChEMBL_2504198	Inhibition of HDAC4 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	7	ChEMBL_2504199	Inhibition of HDAC5 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	8	ChEMBL_2504200	Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	9	ChEMBL_2504201	Inhibition of HDAC7 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	10	ChEMBL_2504202	Inhibition of HDAC8 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	11	ChEMBL_2504203	Inhibition of HDAC9 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	12	ChEMBL_2504204	Inhibition of HDAC10 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	13	ChEMBL_2504205	Inhibition of HDAC11 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 1 hrs followed by substrate addition and measured after 2 hrs by spectrophotometer based fluorometric assay
50022457	14	ChEMBL_2504206	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo kinase assay
50022457	15	ChEMBL_2504207	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate incubated for 1 hrs in presence of ATP by ADP-Glo kinase assay
50022458	1	ChEMBL_2504394	Inhibition of EZH2 (unknown origin)
50022458	2	ChEMBL_2504395	Inhibition of EZH2 Y641F mutant (unknown origin)
50022459	1	ChEMBL_2504412	Inhibition of yeast alpha-glucosidase
50022459	2	ChEMBL_2504415	Binding affinity to yeast alpha glucosidase assessed as inhibition constant
50022459	3	ChEMBL_2504416	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis
50022459	4	ChEMBL_2504417	Inhibition of alpha-glucosidase (unknown origin)
50022460	1	ChEMBL_2504431	Inhibition of Influenza A virus H5N1 neuraminidase H274Y mutant
50022461	1	ChEMBL_2504467	Inhibition of alpha-Syn (unknown origin) in PBS at pH 7.4 incubated for 72 hrs by ThT fluorescence assay
50022462	1	ChEMBL_2504502	Inhibition of recombinant human N-terminal His tagged ST6GAL1 (44 to 406 residues) by UPLC-based assay
50022462	2	ChEMBL_2504505	Inhibition of rat ST3GAL1 by UPLC-based assay
50022462	3	ChEMBL_2504506	Inhibition of mouse brain ST3Gal1 expressed in COS-7 cells using CMP-[14C]NeuAc as substrate assessed as inhibition of constant incubated for 30 mins in presence of Galbeta1,3GalNAcOBzl by Lineweaver-Burk plot analysis
50022462	4	ChEMBL_2504508	Inhibition of rat liver ST3GAL3 using CMP-Neu5Ac as substrate
50022462	5	ChEMBL_2504509	Inhibition of rat ST3GAL1 in the presence of Galbeta1,3GalNAcalpha-PNP
50022462	6	ChEMBL_2504510	Inhibition of rat ST3GAL3 in the presence of Galbeta1,4Glcbeta-4,5-dimethoxy-2-nitrobenzyl
50022462	7	ChEMBL_2504511	Inhibition of human ST6GAL1 in the Galbeta1,4GlcNAcbeta-4,5-dimethoxy-2-nitrobenzyl
50022462	8	ChEMBL_2504512	Inhibition of ST3GAL3 (unknown origin)
50022462	9	ChEMBL_2504513	Inhibition of ST3GAL1 (unknown origin)
50022462	10	ChEMBL_2504514	Inhibition of ST6GAL1 (unknown origin)
50022463	1	ChEMBL_2504651	Inhibition of human KCNMA1 expressed in HEK293 cells assessed as reduction in 100+ mV pulse elicited current by inside-out configuration based patch clamp method
50022464	1	ChEMBL_2504703	Inhibition of recombinant His-tagged human CSF1R catalytic domain expressed in baculovirus expression system using TAMRA-KKKSPGEYVNIEFG as substrate preincubated for 30 mins followed by substrate addition and measured after 120 mins in presence of ATP by fluorescence polarization assay
50022464	2	ChEMBL_2504704	Inhibition of CSF1R (unknown origin)
50022464	3	ChEMBL_2504705	Inhibition of c-Kit (unknown origin)
50022464	4	ChEMBL_2504706	Inhibition of FLT3 (unknown origin)
50022464	5	ChEMBL_2504707	Inhibition of PDGFR-beta (unknown origin)
50022464	6	ChEMBL_2504708	Inhibition of N-terminal GST-fused human CSF1R (538 to 972 residues) expressed in Sf21 insect cells preincubated for 15 mins followed by substrate addition and measured after 2 hrs in presence of ATP by fluorescence based analysis
50022464	7	ChEMBL_2504717	Inhibition of human CSF1R phosphorylation in CSF1-stimulated HEK293 cells by fluorescence based analysis
50022466	1	ChEMBL_2504753	Inhibition of N-terminal 6His-tagged full-length recombinant human PIP5K1C expressed in baculovirus infected Sf21 cells using PI4P/PS as substrate incubated for 60 mins in presence of ATP by ADP-Glo assay
50022467	1	ChEMBL_2504779	Inhibition of human KCNK13 transfected in HEK293 cells by QPatch assay
50022467	2	ChEMBL_2504780	Inhibition of mouse KCNK13 transfected in HEK293 cells by QPatch assay
50022467	3	ChEMBL_2504781	Inhibition of NLRP3 inflammasome-mediated IL-1beta release in LPS-primed neonatal C57BL/6 P1-4 mouse microglia treated for 1 hr by ELISA
50022467	4	ChEMBL_2504782	Inhibition of human KCNK13 transfected in HEK293 cells
50022467	5	ChEMBL_2504783	Inhibition of mouse KCNK13 transfected in HEK293 cells
50022467	6	ChEMBL_2504824	Inhibition of human KCNK13 transfected in HEK293 cells assessed as reduction in thallium influx incubated for 15 mins in dark by FLIPR assay
50022467	7	ChEMBL_2504826	Inhibition of mouse KCNK13 transfected in HEK293 cells assessed as reduction in thallium influx incubated for 15 mins in dark by FLIPR assay
50022467	8	ChEMBL_2504830	Inhibition of NLRP3 inflammasome-mediated IL-1beta release in LPS-primed neonatal C57BL/6 P1-4 mouse microglia pretreated for 30 mins followed by media removal and compound re-addition with K+-free buffer measured after 2 hrs by ELISA
50022469	1	ChEMBL_2504837	Inhibition of human MPO using H2O2 as substrate measured after 15 mins by chemiluminescence based assay
50022470	1	ChEMBL_2504838	Inhibition of Syk in human RBL-2H3 cells assessed as DNP-BSA-induced beta-hexosaminidase secretion preincubated with compound for 20 mins followed by DNP-BSA induction for 45 mins and 1.5 hrs of 4Nitrophenyl N-acetyl-beta-D-glucosaminide substrate addition
50022470	2	ChEMBL_2504839	Inhibition of KDR in human HUVEC cells
50022470	3	ChEMBL_2504840	Inhibition of N-terminal GST-tagged human recombinant RET (658 to end residues) expressed in baculovirus Sf21 insect cells by fluorescence polarization assay
50022470	4	ChEMBL_2504841	Inhibition of Syk (unknown origin) incubated for 1 hr in presence of ATP by FRET assay
50022470	5	ChEMBL_2504842	Inhibition of Syk (unknown origin) at 3 uM incubated for 1 hr in presence of ATP by FRET assay relative to control
50022470	6	ChEMBL_2504844	Inhibition of his-tagged human recombinant KDR incubated for 60 mins by Z'lyte assay
50022470	7	ChEMBL_2504847	Inhibition of KDR phosphorylation in VEGF-induced HEK293 cells preincubated with compound for 60 mins followed by VEGF-induction and measured after 8 mins
50022471	1	ChEMBL_2504885	Inhibition of human recombinant MAO-A using kynuramine as substrate preincubated for 15 mins followed by enzyme addition and measured after 20 mins by fluorescence microplate reader analysis
50022471	2	ChEMBL_2504886	Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated for 15 mins followed by enzyme addition and measured after 20 mins by fluorescence microplate reader analysis
50022472	1	ChEMBL_2504899	Inhibition of DNMT3A (unknown origin) using [3H]-SAM as substrate incubated for 1 hr by scintillation counter analysis
50022473	1	ChEMBL_2504902	Binding affinity to DYRK2 (unknown origin) assessed as dissociation constant by SPR analysis
50022473	2	ChEMBL_2504903	Inhibition of human recombinant DYRK2 using KKISGRLSPIMTEQ as substrate incubated for 60 mins in the presence of ATP by ADP-Glo kinase assay
50022474	1	ChEMBL_2504920	Inhibition of human recombinant GST tagged NIK incubated for 2 hrs in presence of ATP by alpha screen assay
50022475	1	ChEMBL_2504921	Inhibition of CD73 (unknown origin) preincubated for 15 mins followed by AMP addition and measured after 60 mins by Rapidfire MS analysis
50022476	1	ChEMBL_2504922	Inhibition of IRAK4 (unknown origin) incubated for 1 hr in presence of ATP by Mesoscale assay
50022476	2	ChEMBL_2504928	Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced IL-1beta production preincubated with compound for 1 hr followed by R848 stimulation and measured after 4 hrs by MSD assay
50022477	1	ChEMBL_2504949	Inhibition of SKY (unknown origin)
50022478	1	ChEMBL_2504957	Binding affinity to HIF-1alpha (unknown origin) assessed as dissociation constant
50022479	1	ChEMBL_2504996	Inhibition of wild type EGFR (unknown origin) incubated for 40 mins by Kinase Glo Max reagent based luminescence analysis
50022479	2	ChEMBL_2504997	Inhibition of EGFR T790M mutant (unknown origin) incubated for 40 mins by Kinase Glo Max reagent based luminescence analysis
50022480	1	ChEMBL_2510941	Inhibition of Saccharomyces cerevisiae GST-tagged Fab1 incubated for 15 mins in presence of ATP
50022480	2	ChEMBL_2510942	Inhibition of GST-tagged Ptdlns3p P110alpha (unknown origin) expressed in baculovirus infected insect cells incubated for 15 mins in presence of ATP
50022480	3	ChEMBL_2510969	Inhibition of GST-tagged Ptdlns3p P110alpha (unknown origin)
50022481	1	ChEMBL_2510974	Inhibition of domain-GST fused human wild-type EGFR expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA method
50022481	2	ChEMBL_2510975	Inhibition of domain-GST fused human EGFR L858R mutant expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA method
50022481	3	ChEMBL_2510976	Inhibition of domain-GST fused human EGFR L858R/T790M double mutant expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA method
50022481	4	ChEMBL_2510977	Inhibition of domain-GST fused human HER2 expressing in Sf9 cells using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA method
50022481	5	ChEMBL_2510979	Inhibition of domain-GST fused HGFR (unknown origin) expressing in an Sf9 infected baculovirus expression system by ELISA method
50022481	6	ChEMBL_2510980	Inhibition of c-SRC (249 to 536 residues) (unknown origin) using pEY (4:1) and bio-pEY as substrate for 30 min in the presence of ATP by ELISA method
50022481	7	ChEMBL_2510981	Inhibition of VEGFR-2 (978 to 1408 residues) (unknown origin) using pEY (4:1) and bio-pEY as substrate for 20 min in the presence of ATP by ELISA method
50022481	8	ChEMBL_2510982	Inhibition of LYN (unknown origin)
50022481	9	ChEMBL_2511010	Inhibition of Abl (unknown origin)
50022481	10	ChEMBL_2511011	Inhibition of Abl T315I mutant (unknown origin)
50022481	11	ChEMBL_2511012	Inhibition of Axl (unknown origin)
50022481	12	ChEMBL_2511014	Inhibition of FGFR1 (unknown origin)
50022481	13	ChEMBL_2511015	Inhibition of FGFR3 (unknown origin)
50022481	14	ChEMBL_2511016	Inhibition of Flt1 (unknown origin)
50022481	15	ChEMBL_2511018	Inhibition of Flt3 (unknown origin)
50022481	16	ChEMBL_2511019	Inhibition of JAK2 (unknown origin)
50022481	17	ChEMBL_2511020	Inhibition of MEK1 (unknown origin)
50022481	18	ChEMBL_2511021	Inhibition of Met (unknown origin)
50022481	19	ChEMBL_2511022	Inhibition of PAK2 (unknown origin)
50022481	20	ChEMBL_2511023	Inhibition of PDGFRalpha (unknown origin)
50022481	21	ChEMBL_2511024	Inhibition of PDGFRbeta (unknown origin)
50022481	22	ChEMBL_2511025	Inhibition of PKBalpha (unknown origin)
50022481	23	ChEMBL_2511026	Inhibition of PKBbeta (unknown origin)
50022481	24	ChEMBL_2511027	Inhibition of Ret (unknown origin)
50022481	25	ChEMBL_2511028	Inhibition of Ron (unknown origin)
50022481	26	ChEMBL_2511029	Inhibition of Tie2 (unknown origin)
50022481	27	ChEMBL_2511030	Inhibition of EGFR-phosphorylation in EGFR expressing human A-431 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA method
50022481	28	ChEMBL_2511031	Inhibition of human HER2-phosphorylation in HER2 expressing mouse NIH3T3 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA method
50022481	29	ChEMBL_2511032	Inhibition of HER2-phosphorylation in HER2 expressing human BT-474 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA method
50022481	30	ChEMBL_2511033	Inhibition of HER2-phosphorylation in HER2 expressing human NCI-N87 cells incubated for 1 hr followed by EGF stimulation for 20 min by ELISA method
50022481	31	ChEMBL_2511045	Inhibition of wild-type EGFR expressing in human NCI-H1666 cells assessed as cell survival incubated for 2 weeks and measured after 6 hrs by MTS assay
50022481	32	ChEMBL_2511046	Inhibition of EGFR L858R mutant expressing in human NCI-H3255 cells assessed as cell survival incubated for 2 weeks and measured after 6 hrs by MTS assay
50022481	33	ChEMBL_2511047	Inhibition of EGFR L858R/T790M double mutant expressing in human NCI-H1975 cells assessed as cell survival incubated for 2 weeks and measured after 6 hrs by MTS assay
50022481	34	ChEMBL_2511048	Inhibition of EGFR L858R/T790M double mutant expressing in human NCI-H1975 cells assessed as cell survival by MTS assay
50022481	35	ChEMBL_2511050	Inhibition of EGFR E746_A750del mutant expressing in human HCC827 cells assessed as cell survival by MTS assay
50022482	1	ChEMBL_2511104	Inhibition of human recombinant N-terminal His-6-tagged thrombin cleavable fused PYK2 catalytic domain (residues Pro-416 to Glu-692) expressed in Sf9 cells pre-incubated with enzyme for 1 h prior to the addition of 500 uM ATP
50022482	2	ChEMBL_2511105	Inhibition of full-length C-terminal his-tagged human FAK pre-incubated with enzyme for 1 h prior to the addition of 500 uM ATP
50022483	1	ChEMBL_2511161	Inhibition of CENP-E in human SK-N-FI cells assessed as decrease in cell viability after 72 hrs by Cell-titer Glo reagent assay
50022483	2	ChEMBL_2511162	Inhibition of CENP-E in human SK-N-FI cells assessed as decrease in cell viability after 72 hrs in presence of ERK1 siRNA by Cell-titer Glo reagent assay
50022483	3	ChEMBL_2511224	Inhibition of CENP-E in human SW48 cells assessed as decrease in cell viability after 72 hrs by Cell-titer Glo reagent assay
50022483	4	ChEMBL_2511225	Inhibition of CENP-E in human RKO cells expressing BRAF mutant assessed as decrease in cell viability after 72 hrs by Cell-titer Glo reagent assay
50022483	5	ChEMBL_2511226	Inhibition of CENP-E in human SW620 cells expressing KRAS mutant assessed as decrease in cell viability after 72 hrs by Cell-titer Glo reagent assay
50022483	6	ChEMBL_2511227	Inhibition of CENP-E in human HCT-116 cells expressing KRAS mutant assessed as decrease in cell viability after 72 hrs by Cell-titer Glo reagent assay
50022484	1	ChEMBL_2511255	Competitive inhibition of KDM6B (unknown origin) using biotinylated H3K27me3 peptide as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins in presence of 2-oxoglutarate/Fe2+/L-ascorbic acid by AlphaScreen assay
50022484	2	ChEMBL_2511256	Inhibition of KDM2B (1 to 650 residues)(unknown origin) by Alphalisa assay
50022484	3	ChEMBL_2511257	Inhibition of KDM3A (2 to 1322 residues)(unknown origin) by Alphalisa assay
50022484	4	ChEMBL_2511258	Inhibition of KDM3B (842 to 1761 residues)(unknown origin) by Alphalisa assay
50022484	5	ChEMBL_2511259	Inhibition of KDM4A (1 to 350 residues)(unknown origin) by Alphalisa assay
50022484	6	ChEMBL_2511260	Inhibition of KDM4B (2 to 500 residues)(unknown origin) by Alphalisa assay
50022484	7	ChEMBL_2511261	Inhibition of KDM4C (1 to 349 residues)(unknown origin) by Alphalisa assay
50022484	8	ChEMBL_2511262	Inhibition of KDM5A (1 to 1090 residues)(unknown origin) by Alphalisa assay
50022484	9	ChEMBL_2511263	Inhibition of KDM5B (1 to 809 residues)(unknown origin) by Alphalisa assay
50022484	10	ChEMBL_2511264	Inhibition of KDM5C (2 to 1560 residues)(unknown origin) by Alphalisa assay
50022484	11	ChEMBL_2511265	Inhibition of KDM6A (919 to 1401 residues)(unknown origin) by Alphalisa assay
50022484	12	ChEMBL_2511266	Inhibition of KDM6B (1043 to 1643 residues)(unknown origin) by Alphalisa assay
50022484	13	ChEMBL_2511267	Inhibition of PHF8 (1 to 1024 residues)(unknown origin) by Alphalisa assay
50022484	14	ChEMBL_2511268	Inhibition of KDM6B (unknown origin) by mass spectrometry
50022484	15	ChEMBL_2511270	Inhibition of epitope-tagged full length KDM4C (unknown origin) transfected in human U2OS cells using H3K9me3 peptide as substrate
50022484	16	ChEMBL_2511272	Inhibition of epitope-tagged KDM6B (1026 to 1682 residues)(unknown origin) transfected in human U2OS cells using H3K27me2 peptide as substrate
50022485	1	ChEMBL_2511431	Inhibition of recombinant Mps1 (519-808 residues) (unknown origin) incubated for 10 min by invitro kinase assay
50022486	1	ChEMBL_2511528	Inhibition of human EZH1 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	2	ChEMBL_2511529	Inhibition of human EZH2 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	3	ChEMBL_2511530	Inhibition of human EZH2 Y641F mutant using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	4	ChEMBL_2511531	Inhibition of human DOT1L using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	5	ChEMBL_2511532	Inhibition of human G9a using Histone H3 (1-21 residues) and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	6	ChEMBL_2511533	Inhibition of human GLP using Histone H3 (1-21 residues) and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	7	ChEMBL_2511534	Inhibition of human MLL1 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	8	ChEMBL_2511535	Inhibition of human MLL2 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	9	ChEMBL_2511536	Inhibition of human MLL3 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	10	ChEMBL_2511537	Inhibition of human MLL4 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	11	ChEMBL_2511538	Inhibition of human NSD1 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	12	ChEMBL_2511539	Inhibition of human NSD2 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	13	ChEMBL_2511540	Inhibition of human NSD2 E1099K mutant using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	14	ChEMBL_2511541	Inhibition of human NSD2 T1150A mutant using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	15	ChEMBL_2511542	Inhibition of human NSD3 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	16	ChEMBL_2511543	Inhibition of human PRDM9 using Histone H3 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	17	ChEMBL_2511544	Inhibition of human SET1B using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	18	ChEMBL_2511545	Inhibition of human SET7/9 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	19	ChEMBL_2511546	Inhibition of human SET8 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	20	ChEMBL_2511547	Inhibition of human SETD2 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	21	ChEMBL_2511548	Inhibition of human SMYD2 using Histone H4 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	22	ChEMBL_2511549	Inhibition of human SUV39H1 using Histone H3 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	23	ChEMBL_2511550	Inhibition of human SUV39H2 using Histone H3 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	24	ChEMBL_2511551	Inhibition of human SUV420H1 transcript variant 2 using Nucleosomes and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	25	ChEMBL_2511552	Inhibition of human PRMT1 using Histone H4 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	26	ChEMBL_2511553	Inhibition of human PRMT3 using Histone H4 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	27	ChEMBL_2511554	Inhibition of human PRMT4 using Histone H3 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	28	ChEMBL_2511555	Inhibition of human PRMT5/MEP50 using Histone H2A and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	29	ChEMBL_2511556	Inhibition of human PRMT6 using Histone H3 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	30	ChEMBL_2511557	Inhibition of human PRMT8 using Histone H4 and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	31	ChEMBL_2511558	Inhibition of human DNMT1 using Poly (dl-dC) and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	32	ChEMBL_2511559	Inhibition of human DNMT3a using lambda DNA and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	33	ChEMBL_2511560	Inhibition of human DNMT3b using lambda DNA and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022486	34	ChEMBL_2511561	Inhibition of human DNMT3b/DNMT3L catalytic domain using lambda DNA and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay
50022488	1	ChEMBL_2512083	Inhibition of CDK4/CyclinD1 (unknown origin)
50022488	2	ChEMBL_2512084	Inhibition of CDK6 (unknown origin)
50022489	1	ChEMBL_2512241	Inhibition of N-terminal His6-tagged TEV protease fused wild-type AKT1 (2 to 446 residues) (unknown origin) expressed in Sf9 cells by HTRF KinEASE assay
50022489	2	ChEMBL_2512242	Inhibition of N-terminal His6-tagged TEV protease fused wild-type AKT2 (2 to 447 residues) (unknown origin) expressed in Sf9 cells by HTRF KinEASE assay
50022489	3	ChEMBL_2512243	Inhibition of wild-type AKT3 (unknown origin) by HTRF KinEASE assay
50022489	4	ChEMBL_2512246	Binding affinity to N-terminal His6-tagged TEV protease fused wild-type AKT1 (2 to 446 residues) (unknown origin) expressed in Sf9 cells assessed as inhibition constant
50022489	5	ChEMBL_2512249	Binding affinity to N-terminal His6-tagged TEV protease fused wild-type AKT2 (2 to 447 residues) (unknown origin) expressed in Sf9 cells assessed as inhibition constant
50022490	1	ChEMBL_2512257	Inhibition of PRDM9 (unknown origin) (195 to 415 residues) using biotin-tagged Histone H3 (1 to 25) and 3H-SAM as substrate incubated for 30 mins by TopCount scintillation proximity assay
50022490	2	ChEMBL_2512258	Inhibition of PRDM7 (unknown origin) using biotin-tagged Histone H3 (1 to 25) and 3H-SAM as substrate incubated for 90 mins by topcount plate reader analysis
50022490	3	ChEMBL_2512259	Binding affinity to PRDM9 (unknown origin) (195 to 415 residues) assessed as dissociation constant measured at 60 to 120 secs in presence of SAM by by surface plasmon resonance assay
50022490	4	ChEMBL_2512308	Competitive inhibition of PRDM9 (unknown origin) assessed as inhibition constant in presence of varying concentration of SAM and peptide substrate
50022490	5	ChEMBL_2512313	Inhibition of FLAG tagged PRDM9 transfected in HEK293T cells assessed as reduction in trimethylation of ectopic H3K4 measured after 20 hrs by Western blot analysis
50022491	1	ChEMBL_2512332	Inhibition of FGFR1 (unknown origin) in presence of ATP
50022491	2	ChEMBL_2512333	Inhibition of FGFR1 cytoplasmic domain (unknown origin) in presence of ATP
50022491	3	ChEMBL_2512335	Inhibition of c-SRC (unknown origin) in presence of ATP
50022491	4	ChEMBL_2512336	Inhibition of EGFR (unknown origin) in presence of ATP
50022491	5	ChEMBL_2512337	Inhibition of INSR (unknown origin) in presence of ATP
50022491	6	ChEMBL_2512338	Inhibition of MEK (unknown origin) in presence of ATP
50022491	7	ChEMBL_2512340	ATP-competitive inhibition of FGFR1 (unknown origin) in presence of ATP
50022491	8	ChEMBL_2512341	ATP-competitive inhibition of FGFR1 cytoplasmic domain (unknown origin) in presence of ATP
50022491	9	ChEMBL_2512342	Inhibition of FGFR1 autophosphorylation in mouse NIH/3T3 cells assessed as reduction in aFGF and heparin-induced autophosphorylation incubated for 5 mins before stimulation for 5 mins with aFGF and heparin by SDS-PAGE and immunoblot method
50022492	1	ChEMBL_2512800	Binding affinity to c-Met in human Hs-578T cells
50022492	2	ChEMBL_2512801	Binding affinity to UFO in human Hs-578T cells
50022492	3	ChEMBL_2512802	Binding affinity to FER in human Hs-578T cells
50022492	4	ChEMBL_2512803	Binding affinity to MAP2K5 in human Hs-578T cells
50022492	5	ChEMBL_2512804	Binding affinity to ABL1 in human Hs-578T cells
50022492	6	ChEMBL_2512805	Binding affinity to SRC in human Hs-578T cells
50022492	7	ChEMBL_2512807	Displacement of kinase tracer 236 from GST-tagged Mer (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	8	ChEMBL_2512808	Displacement of kinase tracer 236 from GST-tagged Tyro3 (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	9	ChEMBL_2512809	Displacement of kinase tracer 236 from GST-tagged Axl (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	10	ChEMBL_2512810	Displacement of kinase tracer 236 from GST-tagged Met (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	11	ChEMBL_2512811	Displacement of kinase tracer 236 from GST-tagged Aurora B (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	12	ChEMBL_2512812	Displacement of kinase tracer 236 from GST-tagged LCK (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	13	ChEMBL_2512813	Displacement of kinase tracer 236 from GST-tagged SRC (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022492	14	ChEMBL_2512814	Displacement of kinase tracer 236 from GST-tagged CDK8 (unknown origin) assessed as inhibition constant incubated for 1 hr by HTRF based TR-FRET assay
50022494	1	ChEMBL_2512834	Inhibition of recombinant human RIP3 kinase domain (1 to 328 residues) expressed in baculovirus expression system by fluorescence polarization assay
50022494	2	ChEMBL_2512835	Inhibition of recombinant human RIP3 kinase activity by ADP-glo assay
50022495	1	ChEMBL_2513537	Binding affinity to recombinant human p300 HAT domain expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL cells assessed as dissociation constant using CMLVELHTQSQDRF as substrate by surface plasmon resonance analysis
50022495	2	ChEMBL_2513538	Inhibition of N-terminal 6His-Flag tagged p300-BHC domain (1036 to 1822 residues) (unknown origin) expressed in Sf9 cells using the Bac-to-Bac baculovirus system using biotinylated synthetic Histone-H4 peptide incubated for 30 mins followed by substrate addition and measured after 1hr by TR-FRET assay
50022495	3	ChEMBL_2513539	Inhibition of N-terminal 6His-Flag tagged CBP-BHC domain (1072 to 1859 residues) (unknown origin) expressed in Sf9 cells using the Bac-to-Bac baculovirus system using biotinylated synthetic Histone-H4 peptide incubated for 30 mins followed by substrate addition and measured after 1hr by TR-FRET assay
50022495	4	ChEMBL_2513540	Inhibition of p300 HAT domain (unknown origin) using Biotin-C6-GRGKGGKGLGKGGAK as substrate pretreated with enzyme for 30 mins followed by incubation with substrate for 1 hr by radiometric scintillation proximity assay
50022495	5	ChEMBL_2513542	Inhibition of p300/CBP in human PC-3 cells assessed as reduction in H3K27Ac level incubated for 3 hrs by Hoechst 33342 staining based high content microscopy analysis
50022495	6	ChEMBL_2513543	Inhibition of p300/CBP in human PC-3 cells assessed as reduction in H3K9Ac level incubated for 3 hrs by Hoechst 33342 staining based high content microscopy analysis
50022495	7	ChEMBL_2513544	Inhibition of p300/CBP in human PC-3 cells assessed as reduction in H3K18Ac level incubated for 3 hrs by Hoechst 33342 staining based high content microscopy analysis
50022495	8	ChEMBL_2513551	Inhibition of N-terminal 6His-Flag tagged p300-BHC domain (1036 to 1822 residues) (unknown origin) expressed in Sf9 cells using the Bac-to-Bac baculovirus system under EDTA-free condition using biotinylated synthetic Histone-H4 peptide incubated for 30 mins followed by substrate addition and measured after 1hr by TR-FRET assay
50022495	9	ChEMBL_2513552	Inhibition of N-terminal 6His-Flag tagged CBP-BHC domain (1072 to 1859 residues) (unknown origin) expressed in Sf9 cells using the Bac-to-Bac baculovirus system under EDTA-free condition using biotinylated synthetic Histone-H4 peptide incubated for 30 mins followed by substrate addition and measured after 1hr by TR-FRET assay
50022495	10	ChEMBL_2513632	Inhibition of BRD3 (unknown origin)
50022495	11	ChEMBL_2513633	Inhibition of BRD4 (unknown origin)
50022495	12	ChEMBL_2513634	Inhibition of BRDT (unknown origin)
50022495	13	ChEMBL_2513714	Inhibition of Plk3 (unknown origin)
50022495	14	ChEMBL_2513715	Inhibition of ALK (unknown origin)
50022495	15	ChEMBL_2513716	Inhibition of Abl (unknown origin)
50022495	16	ChEMBL_2513717	Inhibition of Akt1 (unknown origin)
50022495	17	ChEMBL_2513718	Inhibition of Aurora1 (unknown origin)
50022495	18	ChEMBL_2513719	Inhibition of Aurora2 (unknown origin)
50022495	19	ChEMBL_2513720	Inhibition of B-Raf (unknown origin)
50022495	20	ChEMBL_2513721	Inhibition of BTK (unknown origin)
50022495	21	ChEMBL_2513722	Inhibition of CAMK1D (unknown origin)
50022495	22	ChEMBL_2513723	Inhibition of CAMK2A (unknown origin)
50022495	23	ChEMBL_2513724	Inhibition of CAMKK2 (unknown origin)
50022495	24	ChEMBL_2513725	Inhibition of CDK11 (unknown origin)
50022495	25	ChEMBL_2513729	Inhibition of CLK2 (unknown origin)
50022495	26	ChEMBL_2513730	Inhibition of c-MET (unknown origin)
50022495	27	ChEMBL_2513731	Inhibition of CSF1R (unknown origin)
50022495	28	ChEMBL_2513732	Inhibition of Ck1alpha1 (unknown origin)
50022495	29	ChEMBL_2513733	Inhibition of DDR1 (unknown origin)
50022495	30	ChEMBL_2513734	Inhibition of DYRK1B (unknown origin)
50022495	31	ChEMBL_2513735	Inhibition of Dyrk1A (unknown origin)
50022495	32	ChEMBL_2513736	Inhibition of EGFR (unknown origin)
50022495	33	ChEMBL_2513737	Inhibition of Erk2 (unknown origin)
50022495	34	ChEMBL_2513738	Inhibition of FAK (unknown origin)
50022495	35	ChEMBL_2513739	Inhibition of FGFR1 (unknown origin)
50022495	36	ChEMBL_2513740	Inhibition of Flt1 (unknown origin)
50022495	37	ChEMBL_2513741	Inhibition of Fyn (unknown origin)
50022495	38	ChEMBL_2513742	Inhibition of GRK5 (unknown origin)
50022495	39	ChEMBL_2513743	Inhibition of Gsk3alpha (unknown origin)
50022495	40	ChEMBL_2513744	Inhibition of Gsk3beta (unknown origin)
50022495	41	ChEMBL_2513745	Inhibition of IGF1R (unknown origin)
50022495	42	ChEMBL_2513746	Inhibition of IKKE (unknown origin)
50022495	43	ChEMBL_2513747	Inhibition of InsR (unknown origin)
50022495	44	ChEMBL_2513748	Inhibition of JAK2 (unknown origin)
50022495	45	ChEMBL_2513749	Inhibition of JAK3 (unknown origin)
50022495	46	ChEMBL_2513750	Inhibition of JNK1 (unknown origin)
50022495	47	ChEMBL_2513751	Inhibition of JNK2 (unknown origin)
50022495	48	ChEMBL_2513752	Inhibition of Kdr (unknown origin)
50022495	49	ChEMBL_2513753	Inhibition of LTK (unknown origin)
50022495	50	ChEMBL_2513754	Inhibition of Lck (unknown origin)
50022495	51	ChEMBL_2513755	Inhibition of MAP2K3 (unknown origin)
50022495	52	ChEMBL_2513756	Inhibition of MAP3K10 (unknown origin)
50022495	53	ChEMBL_2513757	Inhibition of MAP4K2 (unknown origin)
50022495	54	ChEMBL_2513758	Inhibition of MAP4K4 (unknown origin)
50022495	55	ChEMBL_2513759	Inhibition of MEK1 (unknown origin)
50022495	56	ChEMBL_2513760	Inhibition of MEK2 (unknown origin)
50022495	57	ChEMBL_2513761	Inhibition of MST1 (unknown origin)
50022495	58	ChEMBL_2513762	Inhibition of Nek2 (unknown origin)
50022495	59	ChEMBL_2513763	Inhibition of p38alpha (unknown origin)
50022495	60	ChEMBL_2513764	Inhibition of PAK4KD (unknown origin)
50022495	61	ChEMBL_2513765	Inhibition of PDGFRalpha (unknown origin)
50022495	62	ChEMBL_2513766	Inhibition of PDGFRbeta (unknown origin)
50022495	63	ChEMBL_2513767	Inhibition of PKA (unknown origin)
50022495	64	ChEMBL_2513768	Inhibition of PKCtheta (unknown origin)
50022495	65	ChEMBL_2513769	Inhibition of PKCzeta (unknown origin)
50022495	66	ChEMBL_2513770	Inhibition of PKG1alpha (unknown origin)
50022495	67	ChEMBL_2513771	Inhibition of Pim1 (unknown origin)
50022495	68	ChEMBL_2513772	Inhibition of Pim2 (unknown origin)
50022495	69	ChEMBL_2513773	Inhibition of PRKCN (unknown origin)
50022495	70	ChEMBL_2513774	Inhibition of Ret (unknown origin)
50022495	71	ChEMBL_2513775	Inhibition of Rock1 (unknown origin)
50022495	72	ChEMBL_2513776	Inhibition of Rock2 (unknown origin)
50022495	73	ChEMBL_2513777	Inhibition of Rsk2 (unknown origin)
50022495	74	ChEMBL_2513778	Inhibition of SGK1 (unknown origin)
50022495	75	ChEMBL_2513779	Inhibition of STK16 (unknown origin)
50022495	76	ChEMBL_2513780	Inhibition of STK33 (unknown origin)
50022495	77	ChEMBL_2513781	Inhibition of Src (unknown origin)
50022495	78	ChEMBL_2513782	Inhibition of Syk (unknown origin)
50022495	79	ChEMBL_2513783	Inhibition of TAOK2 (unknown origin)
50022495	80	ChEMBL_2513784	Inhibition of TBK1 (unknown origin)
50022495	81	ChEMBL_2513785	Inhibition of TNK2 (unknown origin)
50022495	82	ChEMBL_2513786	Inhibition of TYRO3 (unknown origin)
50022495	83	ChEMBL_2513787	Inhibition of TrkA (unknown origin)
50022495	84	ChEMBL_2513788	Inhibition of TrkB (unknown origin)
50022495	85	ChEMBL_2513789	Inhibition of TrkC (unknown origin)
50022495	86	ChEMBL_2513790	Inhibition of Wee1 (unknown origin)
50022495	87	ChEMBL_2513791	Inhibition of ZIPK (unknown origin)
50022496	1	ChEMBL_2513959	Binding affinity to recombinant human EPHA2 (D596 to G900 residues) expressed in insect cells incubated for 30 mins by MST assay
50022496	2	ChEMBL_2513961	Inhibition of Nano Luc-fused full length C-terminal EPHA1 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	3	ChEMBL_2513962	Inhibition of Nano Luc-fused full length C-terminal EPHA2 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	4	ChEMBL_2513963	Inhibition of Nano Luc-fused full length C-terminal EPHA3 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	5	ChEMBL_2513964	Inhibition of Nano Luc-fused full length C-terminal EPHA4 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	6	ChEMBL_2513965	Inhibition of Nano Luc-fused full length C-terminal EPHA5 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	7	ChEMBL_2513966	Inhibition of Nano Luc-fused full length C-terminal EPHA6 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	8	ChEMBL_2513967	Inhibition of Nano Luc-fused full length C-terminal EPHA7 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	9	ChEMBL_2513968	Inhibition of Nano Luc-fused full length C-terminal EPHA8 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	10	ChEMBL_2513969	Inhibition of Nano Luc-fused full length C-terminal EPHB2 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	11	ChEMBL_2513970	Inhibition of Nano Luc-fused full length C-terminal EPHB3 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	12	ChEMBL_2513971	Inhibition of Nano Luc-fused full length C-terminal EPHB4 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	13	ChEMBL_2513972	Inhibition of Nano Luc-fused full length C-terminal EPHB6 (unknown origin) expressed in HEK293T cells using NanoGlo as substrate incubated for 2 hrs in presence of tracer by NanoBRET assay
50022496	14	ChEMBL_2513973	Binding affinity to human EPHA1 incubated for 45 mins by Kinobead based pull down assay
50022496	15	ChEMBL_2513974	Binding affinity to human EPHA2 incubated for 45 mins by Kinobead based pull down assay
50022496	16	ChEMBL_2513976	Binding affinity to human EPHA4 incubated for 45 mins by Kinobead based pull down assay
50022496	17	ChEMBL_2513977	Binding affinity to human EPHA5 incubated for 45 mins by Kinobead based pull down assay
50022496	18	ChEMBL_2513979	Binding affinity to human EPHB4 incubated for 45 mins by Kinobead based pull down assay
50022496	19	ChEMBL_2513980	Binding affinity to human EPHB3 incubated for 45 mins by Kinobead based pull down assay
50022496	20	ChEMBL_2513981	Binding affinity to human EPHB2 incubated for 45 mins by Kinobead based pull down assay
50022496	21	ChEMBL_2513983	Binding affinity to human EPHA7 incubated for 45 mins by Kinobead based pull down assay
50022496	22	ChEMBL_2513984	Binding affinity to human EPHB6 incubated for 45 mins by Kinobead based pull down assay
50022496	23	ChEMBL_2513985	Binding affinity to human AAAS incubated for 45 mins by Kinobead based pull down assay
50022496	24	ChEMBL_2513986	Binding affinity to human AAK1 incubated for 45 mins by Kinobead based pull down assay
50022496	25	ChEMBL_2513987	Binding affinity to human AARS incubated for 45 mins by Kinobead based pull down assay
50022496	26	ChEMBL_2513988	Binding affinity to human AASDHPPT incubated for 45 mins by Kinobead based pull down assay
50022496	27	ChEMBL_2513989	Binding affinity to human ABCB7 incubated for 45 mins by Kinobead based pull down assay
50022496	28	ChEMBL_2513990	Binding affinity to human ABCD3 incubated for 45 mins by Kinobead based pull down assay
50022496	29	ChEMBL_2513991	Binding affinity to human ABCE1 incubated for 45 mins by Kinobead based pull down assay
50022496	30	ChEMBL_2513992	Binding affinity to human ABCF1 incubated for 45 mins by Kinobead based pull down assay
50022496	31	ChEMBL_2513993	Binding affinity to human ABHD12 incubated for 45 mins by Kinobead based pull down assay
50022496	32	ChEMBL_2513994	Binding affinity to human ABHD14B incubated for 45 mins by Kinobead based pull down assay
50022496	33	ChEMBL_2513995	Binding affinity to human ABL1 incubated for 45 mins by Kinobead based pull down assay
50022496	34	ChEMBL_2513996	Binding affinity to human ABL2 incubated for 45 mins by Kinobead based pull down assay
50022496	35	ChEMBL_2513997	Binding affinity to human ACAA2 incubated for 45 mins by Kinobead based pull down assay
50022496	36	ChEMBL_2513998	Binding affinity to human ACACA incubated for 45 mins by Kinobead based pull down assay
50022496	37	ChEMBL_2513999	Binding affinity to human ACAD10 incubated for 45 mins by Kinobead based pull down assay
50022496	38	ChEMBL_2514000	Binding affinity to human ACAD11 incubated for 45 mins by Kinobead based pull down assay
50022496	39	ChEMBL_2514001	Binding affinity to human ACADM incubated for 45 mins by Kinobead based pull down assay
50022496	40	ChEMBL_2514002	Binding affinity to human ACADVL incubated for 45 mins by Kinobead based pull down assay
50022496	41	ChEMBL_2514003	Binding affinity to human ACAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	42	ChEMBL_2514004	Binding affinity to human ACBD3 incubated for 45 mins by Kinobead based pull down assay
50022496	43	ChEMBL_2514005	Binding affinity to human ACIN1 incubated for 45 mins by Kinobead based pull down assay
50022496	44	ChEMBL_2514006	Binding affinity to human ACLY incubated for 45 mins by Kinobead based pull down assay
50022496	45	ChEMBL_2514007	Binding affinity to human ACOT7 incubated for 45 mins by Kinobead based pull down assay
50022496	46	ChEMBL_2514008	Binding affinity to human ACOX1 incubated for 45 mins by Kinobead based pull down assay
50022496	47	ChEMBL_2514009	Binding affinity to human ACOX3 incubated for 45 mins by Kinobead based pull down assay
50022496	48	ChEMBL_2514010	Binding affinity to human ACP1 incubated for 45 mins by Kinobead based pull down assay
50022496	49	ChEMBL_2514011	Binding affinity to human ACSL1 incubated for 45 mins by Kinobead based pull down assay
50022496	50	ChEMBL_2514012	Binding affinity to human ACSL3 incubated for 45 mins by Kinobead based pull down assay
50022496	51	ChEMBL_2514013	Binding affinity to human ACSL4 incubated for 45 mins by Kinobead based pull down assay
50022496	52	ChEMBL_2514016	Binding affinity to human ACTL6A incubated for 45 mins by Kinobead based pull down assay
50022496	53	ChEMBL_2514017	Binding affinity to human ACTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	54	ChEMBL_2514019	Binding affinity to human ACTN4 incubated for 45 mins by Kinobead based pull down assay
50022496	55	ChEMBL_2514020	Binding affinity to human ACTR2 incubated for 45 mins by Kinobead based pull down assay
50022496	56	ChEMBL_2514021	Binding affinity to human ACTR3 incubated for 45 mins by Kinobead based pull down assay
50022496	57	ChEMBL_2514022	Binding affinity to human ACVR1 incubated for 45 mins by Kinobead based pull down assay
50022496	58	ChEMBL_2514023	Binding affinity to human ACVR1B incubated for 45 mins by Kinobead based pull down assay
50022496	59	ChEMBL_2514024	Binding affinity to human ACVR2B incubated for 45 mins by Kinobead based pull down assay
50022496	60	ChEMBL_2514025	Binding affinity to human ADA incubated for 45 mins by Kinobead based pull down assay
50022496	61	ChEMBL_2514026	Binding affinity to human ADAR incubated for 45 mins by Kinobead based pull down assay
50022496	62	ChEMBL_2514027	Binding affinity to human ADCK1 incubated for 45 mins by Kinobead based pull down assay
50022496	63	ChEMBL_2514028	Binding affinity to human ADCK3 incubated for 45 mins by Kinobead based pull down assay
50022496	64	ChEMBL_2514029	Binding affinity to human ADH5 incubated for 45 mins by Kinobead based pull down assay
50022496	65	ChEMBL_2514030	Binding affinity to human ADK incubated for 45 mins by Kinobead based pull down assay
50022496	66	ChEMBL_2514031	Binding affinity to human ADRBK1 incubated for 45 mins by Kinobead based pull down assay
50022496	67	ChEMBL_2514032	Binding affinity to human ADRM1 incubated for 45 mins by Kinobead based pull down assay
50022496	68	ChEMBL_2514033	Binding affinity to human ADSL incubated for 45 mins by Kinobead based pull down assay
50022496	69	ChEMBL_2514034	Binding affinity to human ADSS incubated for 45 mins by Kinobead based pull down assay
50022496	70	ChEMBL_2514035	Binding affinity to human AFF1 incubated for 45 mins by Kinobead based pull down assay
50022496	71	ChEMBL_2514036	Binding affinity to human AFF4 incubated for 45 mins by Kinobead based pull down assay
50022496	72	ChEMBL_2514037	Binding affinity to human AFG3L2 incubated for 45 mins by Kinobead based pull down assay
50022496	73	ChEMBL_2514038	Binding affinity to human AGK incubated for 45 mins by Kinobead based pull down assay
50022496	74	ChEMBL_2514039	Binding affinity to human AGPAT2 incubated for 45 mins by Kinobead based pull down assay
50022496	75	ChEMBL_2514040	Binding affinity to human AGPAT5 incubated for 45 mins by Kinobead based pull down assay
50022496	76	ChEMBL_2514041	Binding affinity to human AGPS incubated for 45 mins by Kinobead based pull down assay
50022496	77	ChEMBL_2514042	Binding affinity to human AHCY incubated for 45 mins by Kinobead based pull down assay
50022496	78	ChEMBL_2514043	Binding affinity to human AHNAK incubated for 45 mins by Kinobead based pull down assay
50022496	79	ChEMBL_2514044	Binding affinity to human AHSA1 incubated for 45 mins by Kinobead based pull down assay
50022496	80	ChEMBL_2514045	Binding affinity to human AIFM1 incubated for 45 mins by Kinobead based pull down assay
50022496	81	ChEMBL_2514046	Binding affinity to human AIFM2 incubated for 45 mins by Kinobead based pull down assay
50022496	82	ChEMBL_2514047	Binding affinity to human AIMP1 incubated for 45 mins by Kinobead based pull down assay
50022496	83	ChEMBL_2514048	Binding affinity to human AIMP2 incubated for 45 mins by Kinobead based pull down assay
50022496	84	ChEMBL_2514049	Binding affinity to human AIP incubated for 45 mins by Kinobead based pull down assay
50022496	85	ChEMBL_2514050	Binding affinity to human AK1 incubated for 45 mins by Kinobead based pull down assay
50022496	86	ChEMBL_2514051	Binding affinity to human AK2 incubated for 45 mins by Kinobead based pull down assay
50022496	87	ChEMBL_2514052	Binding affinity to human AKAP8L incubated for 45 mins by Kinobead based pull down assay
50022496	88	ChEMBL_2514053	Binding affinity to human AKR1B1 incubated for 45 mins by Kinobead based pull down assay
50022496	89	ChEMBL_2514054	Binding affinity to human AKR1C1 incubated for 45 mins by Kinobead based pull down assay
50022496	90	ChEMBL_2514055	Binding affinity to human AKR1C2 incubated for 45 mins by Kinobead based pull down assay
50022496	91	ChEMBL_2514056	Binding affinity to human AKR7A2 incubated for 45 mins by Kinobead based pull down assay
50022496	92	ChEMBL_2514057	Binding affinity to human AKT1 incubated for 45 mins by Kinobead based pull down assay
50022496	93	ChEMBL_2514058	Binding affinity to human AKT2 incubated for 45 mins by Kinobead based pull down assay
50022496	94	ChEMBL_2514059	Binding affinity to human AKT3 incubated for 45 mins by Kinobead based pull down assay
50022496	95	ChEMBL_2514060	Binding affinity to human ALDH16A1 incubated for 45 mins by Kinobead based pull down assay
50022496	96	ChEMBL_2514061	Binding affinity to human ALDH18A1 incubated for 45 mins by Kinobead based pull down assay
50022496	97	ChEMBL_2514062	Binding affinity to human ALDH1A1 incubated for 45 mins by Kinobead based pull down assay
50022496	98	ChEMBL_2514063	Binding affinity to human ALDH1B1 incubated for 45 mins by Kinobead based pull down assay
50022496	99	ChEMBL_2514064	Binding affinity to human ALDH7A1 incubated for 45 mins by Kinobead based pull down assay
50022496	100	ChEMBL_2514065	Binding affinity to human ALDOA incubated for 45 mins by Kinobead based pull down assay
50022496	101	ChEMBL_2514066	Binding affinity to human ALG1 incubated for 45 mins by Kinobead based pull down assay
50022496	102	ChEMBL_2514068	Binding affinity to human ALG3 incubated for 45 mins by Kinobead based pull down assay
50022496	103	ChEMBL_2514069	Binding affinity to human ALG8 incubated for 45 mins by Kinobead based pull down assay
50022496	104	ChEMBL_2514070	Binding affinity to human ALYREF incubated for 45 mins by Kinobead based pull down assay
50022496	105	ChEMBL_2514071	Binding affinity to human ANAPC7 incubated for 45 mins by Kinobead based pull down assay
50022496	106	ChEMBL_2514072	Binding affinity to human ANKRD54 incubated for 45 mins by Kinobead based pull down assay
50022496	107	ChEMBL_2514073	Binding affinity to human ANP32A incubated for 45 mins by Kinobead based pull down assay
50022496	108	ChEMBL_2514074	Binding affinity to human ANP32B incubated for 45 mins by Kinobead based pull down assay
50022496	109	ChEMBL_2514075	Binding affinity to human ANXA1 incubated for 45 mins by Kinobead based pull down assay
50022496	110	ChEMBL_2514076	Binding affinity to human ANXA11 incubated for 45 mins by Kinobead based pull down assay
50022496	111	ChEMBL_2514078	Binding affinity to human ANXA3 incubated for 45 mins by Kinobead based pull down assay
50022496	112	ChEMBL_2514079	Binding affinity to human ANXA4 incubated for 45 mins by Kinobead based pull down assay
50022496	113	ChEMBL_2514080	Binding affinity to human ANXA5 incubated for 45 mins by Kinobead based pull down assay
50022496	114	ChEMBL_2514081	Binding affinity to human ANXA6 incubated for 45 mins by Kinobead based pull down assay
50022496	115	ChEMBL_2514082	Binding affinity to human ANXA7 incubated for 45 mins by Kinobead based pull down assay
50022496	116	ChEMBL_2514083	Binding affinity to human AP1G1 incubated for 45 mins by Kinobead based pull down assay
50022496	117	ChEMBL_2514084	Binding affinity to human AP1M1 incubated for 45 mins by Kinobead based pull down assay
50022496	118	ChEMBL_2514085	Binding affinity to human AP2A1 incubated for 45 mins by Kinobead based pull down assay
50022496	119	ChEMBL_2514086	Binding affinity to human AP2A2 incubated for 45 mins by Kinobead based pull down assay
50022496	120	ChEMBL_2514087	Binding affinity to human AP2B1 incubated for 45 mins by Kinobead based pull down assay
50022496	121	ChEMBL_2514088	Binding affinity to human AP2M1 incubated for 45 mins by Kinobead based pull down assay
50022496	122	ChEMBL_2514089	Binding affinity to human AP2S1 incubated for 45 mins by Kinobead based pull down assay
50022496	123	ChEMBL_2514090	Binding affinity to human AP3B1 incubated for 45 mins by Kinobead based pull down assay
50022496	124	ChEMBL_2514091	Binding affinity to human AP3D1 incubated for 45 mins by Kinobead based pull down assay
50022496	125	ChEMBL_2514092	Binding affinity to human AP3M1 incubated for 45 mins by Kinobead based pull down assay
50022496	126	ChEMBL_2514093	Binding affinity to human AP3S1 incubated for 45 mins by Kinobead based pull down assay
50022496	127	ChEMBL_2514094	Binding affinity to human APEH incubated for 45 mins by Kinobead based pull down assay
50022496	128	ChEMBL_2514095	Binding affinity to human APEX1 incubated for 45 mins by Kinobead based pull down assay
50022496	129	ChEMBL_2514096	Binding affinity to human API5 incubated for 45 mins by Kinobead based pull down assay
50022496	130	ChEMBL_2514097	Binding affinity to human APMAP incubated for 45 mins by Kinobead based pull down assay
50022496	131	ChEMBL_2514098	Binding affinity to human APOBEC3C incubated for 45 mins by Kinobead based pull down assay
50022496	132	ChEMBL_2514099	Binding affinity to human APRT incubated for 45 mins by Kinobead based pull down assay
50022496	133	ChEMBL_2514100	Binding affinity to human ARAF incubated for 45 mins by Kinobead based pull down assay
50022496	134	ChEMBL_2514101	Binding affinity to human ARCN1 incubated for 45 mins by Kinobead based pull down assay
50022496	135	ChEMBL_2514103	Binding affinity to human ARF4 incubated for 45 mins by Kinobead based pull down assay
50022496	136	ChEMBL_2514104	Binding affinity to human ARF5 incubated for 45 mins by Kinobead based pull down assay
50022496	137	ChEMBL_2514105	Binding affinity to human ARFGEF1 incubated for 45 mins by Kinobead based pull down assay
50022496	138	ChEMBL_2514106	Binding affinity to human ARHGDIA incubated for 45 mins by Kinobead based pull down assay
50022496	139	ChEMBL_2514107	Binding affinity to human ARHGDIB incubated for 45 mins by Kinobead based pull down assay
50022496	140	ChEMBL_2514108	Binding affinity to human ARHGEF2 incubated for 45 mins by Kinobead based pull down assay
50022496	141	ChEMBL_2514109	Binding affinity to human ARID2 incubated for 45 mins by Kinobead based pull down assay
50022496	142	ChEMBL_2514110	Binding affinity to human ARL1 incubated for 45 mins by Kinobead based pull down assay
50022496	143	ChEMBL_2514111	Binding affinity to human ARPC1B incubated for 45 mins by Kinobead based pull down assay
50022496	144	ChEMBL_2514112	Binding affinity to human ARPC2 incubated for 45 mins by Kinobead based pull down assay
50022496	145	ChEMBL_2514113	Binding affinity to human ARPC3 incubated for 45 mins by Kinobead based pull down assay
50022496	146	ChEMBL_2514114	Binding affinity to human ARPC4 incubated for 45 mins by Kinobead based pull down assay
50022496	147	ChEMBL_2514115	Binding affinity to human ARPC5 incubated for 45 mins by Kinobead based pull down assay
50022496	148	ChEMBL_2514116	Binding affinity to human ARPC5L incubated for 45 mins by Kinobead based pull down assay
50022496	149	ChEMBL_2514117	Binding affinity to human ARRB1 incubated for 45 mins by Kinobead based pull down assay
50022496	150	ChEMBL_2514118	Binding affinity to human ASH2L incubated for 45 mins by Kinobead based pull down assay
50022496	151	ChEMBL_2514119	Binding affinity to human ASNA1 incubated for 45 mins by Kinobead based pull down assay
50022496	152	ChEMBL_2514120	Binding affinity to human ASNS incubated for 45 mins by Kinobead based pull down assay
50022496	153	ChEMBL_2514121	Binding affinity to human ASS1 incubated for 45 mins by Kinobead based pull down assay
50022496	154	ChEMBL_2514122	Binding affinity to human ATAD3A incubated for 45 mins by Kinobead based pull down assay
50022496	155	ChEMBL_2514123	Binding affinity to human ATAD3B incubated for 45 mins by Kinobead based pull down assay
50022496	156	ChEMBL_2514124	Binding affinity to human ATG13 incubated for 45 mins by Kinobead based pull down assay
50022496	157	ChEMBL_2514125	Binding affinity to human ATIC incubated for 45 mins by Kinobead based pull down assay
50022496	158	ChEMBL_2514126	Binding affinity to human ATL3 incubated for 45 mins by Kinobead based pull down assay
50022496	159	ChEMBL_2514127	Binding affinity to human ATM incubated for 45 mins by Kinobead based pull down assay
50022496	160	ChEMBL_2514128	Binding affinity to human ATP1A1 incubated for 45 mins by Kinobead based pull down assay
50022496	161	ChEMBL_2514129	Binding affinity to human ATP1B1 incubated for 45 mins by Kinobead based pull down assay
50022496	162	ChEMBL_2514130	Binding affinity to human ATP1B3 incubated for 45 mins by Kinobead based pull down assay
50022496	163	ChEMBL_2514131	Binding affinity to human ATP2A2 incubated for 45 mins by Kinobead based pull down assay
50022496	164	ChEMBL_2514132	Binding affinity to human ATP2C1 incubated for 45 mins by Kinobead based pull down assay
50022496	165	ChEMBL_2514133	Binding affinity to human ATP5A1 incubated for 45 mins by Kinobead based pull down assay
50022496	166	ChEMBL_2514134	Binding affinity to human ATP5B incubated for 45 mins by Kinobead based pull down assay
50022496	167	ChEMBL_2514135	Binding affinity to human ATP5C1 incubated for 45 mins by Kinobead based pull down assay
50022496	168	ChEMBL_2514136	Binding affinity to human ATP5D incubated for 45 mins by Kinobead based pull down assay
50022496	169	ChEMBL_2514138	Binding affinity to human ATP5F1 incubated for 45 mins by Kinobead based pull down assay
50022496	170	ChEMBL_2514139	Binding affinity to human ATP5H incubated for 45 mins by Kinobead based pull down assay
50022496	171	ChEMBL_2514140	Binding affinity to human ATP5I incubated for 45 mins by Kinobead based pull down assay
50022496	172	ChEMBL_2514141	Binding affinity to human ATP5J2 incubated for 45 mins by Kinobead based pull down assay
50022496	173	ChEMBL_2514142	Binding affinity to human ATP5L incubated for 45 mins by Kinobead based pull down assay
50022496	174	ChEMBL_2514143	Binding affinity to human ATP5O incubated for 45 mins by Kinobead based pull down assay
50022496	175	ChEMBL_2514144	Binding affinity to human ATP6V1A incubated for 45 mins by Kinobead based pull down assay
50022496	176	ChEMBL_2514145	Binding affinity to human ATP6V1B2 incubated for 45 mins by Kinobead based pull down assay
50022496	177	ChEMBL_2514146	Binding affinity to human ATP6V1E1 incubated for 45 mins by Kinobead based pull down assay
50022496	178	ChEMBL_2514147	Binding affinity to human ATP6V1G1 incubated for 45 mins by Kinobead based pull down assay
50022496	179	ChEMBL_2514148	Binding affinity to human ATP6V1H incubated for 45 mins by Kinobead based pull down assay
50022496	180	ChEMBL_2514149	Binding affinity to human ATR incubated for 45 mins by Kinobead based pull down assay
50022496	181	ChEMBL_2514150	Binding affinity to human ATXN10 incubated for 45 mins by Kinobead based pull down assay
50022496	182	ChEMBL_2514151	Binding affinity to human ATXN2 incubated for 45 mins by Kinobead based pull down assay
50022496	183	ChEMBL_2514152	Binding affinity to human ATXN2L incubated for 45 mins by Kinobead based pull down assay
50022496	184	ChEMBL_2514153	Binding affinity to human AUP1 incubated for 45 mins by Kinobead based pull down assay
50022496	185	ChEMBL_2514154	Binding affinity to human AURKA incubated for 45 mins by Kinobead based pull down assay
50022496	186	ChEMBL_2514155	Binding affinity to human AURKB incubated for 45 mins by Kinobead based pull down assay
50022496	187	ChEMBL_2514156	Binding affinity to human AZI2 incubated for 45 mins by Kinobead based pull down assay
50022496	188	ChEMBL_2514157	Binding affinity to human EEF1B2 incubated for 45 mins by Kinobead based pull down assay
50022496	189	ChEMBL_2514158	Binding affinity to human EEF1A2 incubated for 45 mins by Kinobead based pull down assay
50022496	190	ChEMBL_2514159	Binding affinity to human B2M incubated for 45 mins by Kinobead based pull down assay
50022496	191	ChEMBL_2514160	Binding affinity to human BAG6 incubated for 45 mins by Kinobead based pull down assay
50022496	192	ChEMBL_2514161	Binding affinity to human BAZ1A incubated for 45 mins by Kinobead based pull down assay
50022496	193	ChEMBL_2514162	Binding affinity to human BCAP31 incubated for 45 mins by Kinobead based pull down assay
50022496	194	ChEMBL_2514163	Binding affinity to human BCAS2 incubated for 45 mins by Kinobead based pull down assay
50022496	195	ChEMBL_2514164	Binding affinity to human BCAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	196	ChEMBL_2514165	Binding affinity to human BCCIP incubated for 45 mins by Kinobead based pull down assay
50022496	197	ChEMBL_2514166	Binding affinity to human BCL2L13 incubated for 45 mins by Kinobead based pull down assay
50022496	198	ChEMBL_2514167	Binding affinity to human BCLAF1 incubated for 45 mins by Kinobead based pull down assay
50022496	199	ChEMBL_2514168	Binding affinity to human BCR incubated for 45 mins by Kinobead based pull down assay
50022496	200	ChEMBL_2514169	Binding affinity to human BID incubated for 45 mins by Kinobead based pull down assay
50022496	201	ChEMBL_2514170	Binding affinity to human BMP2K incubated for 45 mins by Kinobead based pull down assay
50022496	202	ChEMBL_2514171	Binding affinity to human BMPR1A incubated for 45 mins by Kinobead based pull down assay
50022496	203	ChEMBL_2514172	Binding affinity to human BMPR1B incubated for 45 mins by Kinobead based pull down assay
50022496	204	ChEMBL_2514173	Binding affinity to human BMPR2 incubated for 45 mins by Kinobead based pull down assay
50022496	205	ChEMBL_2514174	Binding affinity to human BOLA2 incubated for 45 mins by Kinobead based pull down assay
50022496	206	ChEMBL_2514175	Binding affinity to human BPNT1 incubated for 45 mins by Kinobead based pull down assay
50022496	207	ChEMBL_2514176	Binding affinity to human BRAF incubated for 45 mins by Kinobead based pull down assay
50022496	208	ChEMBL_2514177	Binding affinity to human BRD2 incubated for 45 mins by Kinobead based pull down assay
50022496	209	ChEMBL_2514179	Binding affinity to human BRI3BP incubated for 45 mins by Kinobead based pull down assay
50022496	210	ChEMBL_2514180	Binding affinity to human BRIX1 incubated for 45 mins by Kinobead based pull down assay
50022496	211	ChEMBL_2514181	Binding affinity to human BROX incubated for 45 mins by Kinobead based pull down assay
50022496	212	ChEMBL_2514182	Binding affinity to human BSG incubated for 45 mins by Kinobead based pull down assay
50022496	213	ChEMBL_2514183	Binding affinity to human BST2 incubated for 45 mins by Kinobead based pull down assay
50022496	214	ChEMBL_2514184	Binding affinity to human BTF3 incubated for 45 mins by Kinobead based pull down assay
50022496	215	ChEMBL_2514185	Binding affinity to human BUB1 incubated for 45 mins by Kinobead based pull down assay
50022496	216	ChEMBL_2514186	Binding affinity to human BUB3 incubated for 45 mins by Kinobead based pull down assay
50022496	217	ChEMBL_2514187	Binding affinity to human BYSL incubated for 45 mins by Kinobead based pull down assay
50022496	218	ChEMBL_2514188	Binding affinity to human BZW1 incubated for 45 mins by Kinobead based pull down assay
50022496	219	ChEMBL_2514189	Binding affinity to human BZW2 incubated for 45 mins by Kinobead based pull down assay
50022496	220	ChEMBL_2514190	Binding affinity to human C14orf1 incubated for 45 mins by Kinobead based pull down assay
50022496	221	ChEMBL_2514191	Binding affinity to human C18orf63 incubated for 45 mins by Kinobead based pull down assay
50022496	222	ChEMBL_2514192	Binding affinity to human C20orf24 incubated for 45 mins by Kinobead based pull down assay
50022496	223	ChEMBL_2514193	Binding affinity to human C21orf2 incubated for 45 mins by Kinobead based pull down assay
50022496	224	ChEMBL_2514194	Binding affinity to human C21orf33 incubated for 45 mins by Kinobead based pull down assay
50022496	225	ChEMBL_2514195	Binding affinity to human C2CD5 incubated for 45 mins by Kinobead based pull down assay
50022496	226	ChEMBL_2514196	Binding affinity to human C7orf50 incubated for 45 mins by Kinobead based pull down assay
50022496	227	ChEMBL_2514197	Binding affinity to human C9orf114 incubated for 45 mins by Kinobead based pull down assay
50022496	228	ChEMBL_2514198	Binding affinity to human CAB39 incubated for 45 mins by Kinobead based pull down assay
50022496	229	ChEMBL_2514199	Binding affinity to human CABLES1 incubated for 45 mins by Kinobead based pull down assay
50022496	230	ChEMBL_2514200	Binding affinity to human CACYBP incubated for 45 mins by Kinobead based pull down assay
50022496	231	ChEMBL_2514201	Binding affinity to human CAD incubated for 45 mins by Kinobead based pull down assay
50022496	232	ChEMBL_2514202	Binding affinity to human CALM1 incubated for 45 mins by Kinobead based pull down assay
50022496	233	ChEMBL_2514203	Binding affinity to human CALR incubated for 45 mins by Kinobead based pull down assay
50022496	234	ChEMBL_2514204	Binding affinity to human CALU incubated for 45 mins by Kinobead based pull down assay
50022496	235	ChEMBL_2514205	Binding affinity to human CAMK2B incubated for 45 mins by Kinobead based pull down assay
50022496	236	ChEMBL_2514206	Binding affinity to human CAMK2D incubated for 45 mins by Kinobead based pull down assay
50022496	237	ChEMBL_2514207	Binding affinity to human CAMK2G incubated for 45 mins by Kinobead based pull down assay
50022496	238	ChEMBL_2514208	Binding affinity to human CAMK4 incubated for 45 mins by Kinobead based pull down assay
50022496	239	ChEMBL_2514209	Binding affinity to human CAND1 incubated for 45 mins by Kinobead based pull down assay
50022496	240	ChEMBL_2514210	Binding affinity to human CANX incubated for 45 mins by Kinobead based pull down assay
50022496	241	ChEMBL_2514211	Binding affinity to human CAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	242	ChEMBL_2514212	Binding affinity to human CAPG incubated for 45 mins by Kinobead based pull down assay
50022496	243	ChEMBL_2514213	Binding affinity to human CAPN1 incubated for 45 mins by Kinobead based pull down assay
50022496	244	ChEMBL_2514214	Binding affinity to human CAPN2 incubated for 45 mins by Kinobead based pull down assay
50022496	245	ChEMBL_2514215	Binding affinity to human CAPNS1 incubated for 45 mins by Kinobead based pull down assay
50022496	246	ChEMBL_2514216	Binding affinity to human CAPRIN1 incubated for 45 mins by Kinobead based pull down assay
50022496	247	ChEMBL_2514217	Binding affinity to human CAPZA1 incubated for 45 mins by Kinobead based pull down assay
50022496	248	ChEMBL_2514218	Binding affinity to human CAPZA2 incubated for 45 mins by Kinobead based pull down assay
50022496	249	ChEMBL_2514219	Binding affinity to human CAPZB incubated for 45 mins by Kinobead based pull down assay
50022496	250	ChEMBL_2514220	Binding affinity to human CARHSP1 incubated for 45 mins by Kinobead based pull down assay
50022496	251	ChEMBL_2514221	Binding affinity to human CARM1 incubated for 45 mins by Kinobead based pull down assay
50022496	252	ChEMBL_2514222	Binding affinity to human CARS incubated for 45 mins by Kinobead based pull down assay
50022496	253	ChEMBL_2514223	Binding affinity to human CAT incubated for 45 mins by Kinobead based pull down assay
50022496	254	ChEMBL_2514224	Binding affinity to human CBR1 incubated for 45 mins by Kinobead based pull down assay
50022496	255	ChEMBL_2514225	Binding affinity to human CBR3 incubated for 45 mins by Kinobead based pull down assay
50022496	256	ChEMBL_2514226	Binding affinity to human CBS incubated for 45 mins by Kinobead based pull down assay
50022496	257	ChEMBL_2514227	Binding affinity to human CBX3 incubated for 45 mins by Kinobead based pull down assay
50022496	258	ChEMBL_2514228	Binding affinity to human CCAR2 incubated for 45 mins by Kinobead based pull down assay
50022496	259	ChEMBL_2514229	Binding affinity to human CCBL2 incubated for 45 mins by Kinobead based pull down assay
50022496	260	ChEMBL_2514230	Binding affinity to human CCDC22 incubated for 45 mins by Kinobead based pull down assay
50022496	261	ChEMBL_2514231	Binding affinity to human CCDC47 incubated for 45 mins by Kinobead based pull down assay
50022496	262	ChEMBL_2514232	Binding affinity to human CCDC79 incubated for 45 mins by Kinobead based pull down assay
50022496	263	ChEMBL_2514233	Binding affinity to human CCNA2 incubated for 45 mins by Kinobead based pull down assay
50022496	264	ChEMBL_2514234	Binding affinity to human CCNB1 incubated for 45 mins by Kinobead based pull down assay
50022496	265	ChEMBL_2514235	Binding affinity to human CCNB2 incubated for 45 mins by Kinobead based pull down assay
50022496	266	ChEMBL_2514236	Binding affinity to human CCNE1 incubated for 45 mins by Kinobead based pull down assay
50022496	267	ChEMBL_2514237	Binding affinity to human CCNH incubated for 45 mins by Kinobead based pull down assay
50022496	268	ChEMBL_2514238	Binding affinity to human CCNI incubated for 45 mins by Kinobead based pull down assay
50022496	269	ChEMBL_2514239	Binding affinity to human CCNK incubated for 45 mins by Kinobead based pull down assay
50022496	270	ChEMBL_2514240	Binding affinity to human CCNT1 incubated for 45 mins by Kinobead based pull down assay
50022496	271	ChEMBL_2514241	Binding affinity to human CCNT2 incubated for 45 mins by Kinobead based pull down assay
50022496	272	ChEMBL_2514242	Binding affinity to human CCT2 incubated for 45 mins by Kinobead based pull down assay
50022496	273	ChEMBL_2514243	Binding affinity to human CCT3 incubated for 45 mins by Kinobead based pull down assay
50022496	274	ChEMBL_2514244	Binding affinity to human CCT4 incubated for 45 mins by Kinobead based pull down assay
50022496	275	ChEMBL_2514245	Binding affinity to human CCT5 incubated for 45 mins by Kinobead based pull down assay
50022496	276	ChEMBL_2514246	Binding affinity to human CCT6A incubated for 45 mins by Kinobead based pull down assay
50022496	277	ChEMBL_2514247	Binding affinity to human CCT7 incubated for 45 mins by Kinobead based pull down assay
50022496	278	ChEMBL_2514248	Binding affinity to human CCT8 incubated for 45 mins by Kinobead based pull down assay
50022496	279	ChEMBL_2514249	Binding affinity to human CD2BP2 incubated for 45 mins by Kinobead based pull down assay
50022496	280	ChEMBL_2514250	Binding affinity to human CD3EAP incubated for 45 mins by Kinobead based pull down assay
50022496	281	ChEMBL_2514251	Binding affinity to human CD63 incubated for 45 mins by Kinobead based pull down assay
50022496	282	ChEMBL_2514252	Binding affinity to human CD68 incubated for 45 mins by Kinobead based pull down assay
50022496	283	ChEMBL_2514253	Binding affinity to human CD97 incubated for 45 mins by Kinobead based pull down assay
50022496	284	ChEMBL_2514254	Binding affinity to human CDC16 incubated for 45 mins by Kinobead based pull down assay
50022496	285	ChEMBL_2514255	Binding affinity to human CDC23 incubated for 45 mins by Kinobead based pull down assay
50022496	286	ChEMBL_2514256	Binding affinity to human CDC37 incubated for 45 mins by Kinobead based pull down assay
50022496	287	ChEMBL_2514257	Binding affinity to human CDC42 incubated for 45 mins by Kinobead based pull down assay
50022496	288	ChEMBL_2514258	Binding affinity to human CDC42BPA incubated for 45 mins by Kinobead based pull down assay
50022496	289	ChEMBL_2514259	Binding affinity to human CDC42BPB incubated for 45 mins by Kinobead based pull down assay
50022496	290	ChEMBL_2514260	Binding affinity to human CDC42BPG incubated for 45 mins by Kinobead based pull down assay
50022496	291	ChEMBL_2514261	Binding affinity to human CDC5L incubated for 45 mins by Kinobead based pull down assay
50022496	292	ChEMBL_2514262	Binding affinity to human CDC7 incubated for 45 mins by Kinobead based pull down assay
50022496	293	ChEMBL_2514263	Binding affinity to human CDIPT incubated for 45 mins by Kinobead based pull down assay
50022496	294	ChEMBL_2514264	Binding affinity to human CDK1 incubated for 45 mins by Kinobead based pull down assay
50022496	295	ChEMBL_2514265	Binding affinity to human CDK12 incubated for 45 mins by Kinobead based pull down assay
50022496	296	ChEMBL_2514266	Binding affinity to human CDK13 incubated for 45 mins by Kinobead based pull down assay
50022496	297	ChEMBL_2514267	Binding affinity to human CDK16 incubated for 45 mins by Kinobead based pull down assay
50022496	298	ChEMBL_2514268	Binding affinity to human CDK17 incubated for 45 mins by Kinobead based pull down assay
50022496	299	ChEMBL_2514269	Binding affinity to human CDK2 incubated for 45 mins by Kinobead based pull down assay
50022496	300	ChEMBL_2514270	Binding affinity to human CDK3 incubated for 45 mins by Kinobead based pull down assay
50022496	301	ChEMBL_2514271	Binding affinity to human CDK4 incubated for 45 mins by Kinobead based pull down assay
50022496	302	ChEMBL_2514272	Binding affinity to human CDK5 incubated for 45 mins by Kinobead based pull down assay
50022496	303	ChEMBL_2514273	Binding affinity to human CDK6 incubated for 45 mins by Kinobead based pull down assay
50022496	304	ChEMBL_2514274	Binding affinity to human CDK7 incubated for 45 mins by Kinobead based pull down assay
50022496	305	ChEMBL_2514275	Binding affinity to human CDK9 incubated for 45 mins by Kinobead based pull down assay
50022496	306	ChEMBL_2514276	Binding affinity to human CDKL5 incubated for 45 mins by Kinobead based pull down assay
50022496	307	ChEMBL_2514277	Binding affinity to human CDR2 incubated for 45 mins by Kinobead based pull down assay
50022496	308	ChEMBL_2514278	Binding affinity to human CDS2 incubated for 45 mins by Kinobead based pull down assay
50022496	309	ChEMBL_2514279	Binding affinity to human CDV3 incubated for 45 mins by Kinobead based pull down assay
50022496	310	ChEMBL_2514280	Binding affinity to human CECR5 incubated for 45 mins by Kinobead based pull down assay
50022496	311	ChEMBL_2514281	Binding affinity to human CELF2 incubated for 45 mins by Kinobead based pull down assay
50022496	312	ChEMBL_2514282	Binding affinity to human CEP170 incubated for 45 mins by Kinobead based pull down assay
50022496	313	ChEMBL_2514283	Binding affinity to human CEPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	314	ChEMBL_2514284	Binding affinity to human CERS2 incubated for 45 mins by Kinobead based pull down assay
50022496	315	ChEMBL_2514285	Binding affinity to human CFL1 incubated for 45 mins by Kinobead based pull down assay
50022496	316	ChEMBL_2514287	Binding affinity to human CHCHD3 incubated for 45 mins by Kinobead based pull down assay
50022496	317	ChEMBL_2514288	Binding affinity to human CHCHD6 incubated for 45 mins by Kinobead based pull down assay
50022496	318	ChEMBL_2514289	Binding affinity to human CHD3 incubated for 45 mins by Kinobead based pull down assay
50022496	319	ChEMBL_2514290	Binding affinity to human CHD4 incubated for 45 mins by Kinobead based pull down assay
50022496	320	ChEMBL_2514291	Binding affinity to human CHEK1 incubated for 45 mins by Kinobead based pull down assay
50022496	321	ChEMBL_2514292	Binding affinity to human CHMP4B incubated for 45 mins by Kinobead based pull down assay
50022496	322	ChEMBL_2514293	Binding affinity to human CHP1 incubated for 45 mins by Kinobead based pull down assay
50022496	323	ChEMBL_2514294	Binding affinity to human CIAPIN1 incubated for 45 mins by Kinobead based pull down assay
50022496	324	ChEMBL_2514295	Binding affinity to human CISD2 incubated for 45 mins by Kinobead based pull down assay
50022496	325	ChEMBL_2514296	Binding affinity to human CIT incubated for 45 mins by Kinobead based pull down assay
50022496	326	ChEMBL_2514297	Binding affinity to human CKAP4 incubated for 45 mins by Kinobead based pull down assay
50022496	327	ChEMBL_2514298	Binding affinity to human CKMT1A incubated for 45 mins by Kinobead based pull down assay
50022496	328	ChEMBL_2514299	Binding affinity to human CKS1B incubated for 45 mins by Kinobead based pull down assay
50022496	329	ChEMBL_2514300	Binding affinity to human CKS2 incubated for 45 mins by Kinobead based pull down assay
50022496	330	ChEMBL_2514301	Binding affinity to human CLASP1 incubated for 45 mins by Kinobead based pull down assay
50022496	331	ChEMBL_2514302	Binding affinity to human CLIC1 incubated for 45 mins by Kinobead based pull down assay
50022496	332	ChEMBL_2514303	Binding affinity to human CLIC4 incubated for 45 mins by Kinobead based pull down assay
50022496	333	ChEMBL_2514304	Binding affinity to human CLINT1 incubated for 45 mins by Kinobead based pull down assay
50022496	334	ChEMBL_2514305	Binding affinity to human CLK1 incubated for 45 mins by Kinobead based pull down assay
50022496	335	ChEMBL_2514306	Binding affinity to human CLK2 incubated for 45 mins by Kinobead based pull down assay
50022496	336	ChEMBL_2514307	Binding affinity to human CLN6 incubated for 45 mins by Kinobead based pull down assay
50022496	337	ChEMBL_2514308	Binding affinity to human CLNS1A incubated for 45 mins by Kinobead based pull down assay
50022496	338	ChEMBL_2514309	Binding affinity to human CLPP incubated for 45 mins by Kinobead based pull down assay
50022496	339	ChEMBL_2514310	Binding affinity to human CLPTM1 incubated for 45 mins by Kinobead based pull down assay
50022496	340	ChEMBL_2514311	Binding affinity to human CLSPN incubated for 45 mins by Kinobead based pull down assay
50022496	341	ChEMBL_2514312	Binding affinity to human CLTA incubated for 45 mins by Kinobead based pull down assay
50022496	342	ChEMBL_2514313	Binding affinity to human CLTB incubated for 45 mins by Kinobead based pull down assay
50022496	343	ChEMBL_2514314	Binding affinity to human CLTC incubated for 45 mins by Kinobead based pull down assay
50022496	344	ChEMBL_2514315	Binding affinity to human CMBL incubated for 45 mins by Kinobead based pull down assay
50022496	345	ChEMBL_2514316	Binding affinity to human CMPK1 incubated for 45 mins by Kinobead based pull down assay
50022496	346	ChEMBL_2514317	Binding affinity to human CNBP incubated for 45 mins by Kinobead based pull down assay
50022496	347	ChEMBL_2514318	Binding affinity to human CNDP2 incubated for 45 mins by Kinobead based pull down assay
50022496	348	ChEMBL_2514319	Binding affinity to human CNN2 incubated for 45 mins by Kinobead based pull down assay
50022496	349	ChEMBL_2514320	Binding affinity to human CNOT1 incubated for 45 mins by Kinobead based pull down assay
50022496	350	ChEMBL_2514321	Binding affinity to human CNP incubated for 45 mins by Kinobead based pull down assay
50022496	351	ChEMBL_2514322	Binding affinity to human CNPY2 incubated for 45 mins by Kinobead based pull down assay
50022496	352	ChEMBL_2514323	Binding affinity to human CNPY3 incubated for 45 mins by Kinobead based pull down assay
50022496	353	ChEMBL_2514324	Binding affinity to human CNTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	354	ChEMBL_2514325	Binding affinity to human COASY incubated for 45 mins by Kinobead based pull down assay
50022496	355	ChEMBL_2514326	Binding affinity to human COG1 incubated for 45 mins by Kinobead based pull down assay
50022496	356	ChEMBL_2514327	Binding affinity to human COG3 incubated for 45 mins by Kinobead based pull down assay
50022496	357	ChEMBL_2514328	Binding affinity to human COG4 incubated for 45 mins by Kinobead based pull down assay
50022496	358	ChEMBL_2514329	Binding affinity to human COG5 incubated for 45 mins by Kinobead based pull down assay
50022496	359	ChEMBL_2514330	Binding affinity to human COG6 incubated for 45 mins by Kinobead based pull down assay
50022496	360	ChEMBL_2514331	Binding affinity to human COG7 incubated for 45 mins by Kinobead based pull down assay
50022496	361	ChEMBL_2514332	Binding affinity to human COG8 incubated for 45 mins by Kinobead based pull down assay
50022496	362	ChEMBL_2514333	Binding affinity to human COL14A1 incubated for 45 mins by Kinobead based pull down assay
50022496	363	ChEMBL_2514334	Binding affinity to human COLGALT1 incubated for 45 mins by Kinobead based pull down assay
50022496	364	ChEMBL_2514335	Binding affinity to human COMT incubated for 45 mins by Kinobead based pull down assay
50022496	365	ChEMBL_2514336	Binding affinity to human COPA incubated for 45 mins by Kinobead based pull down assay
50022496	366	ChEMBL_2514337	Binding affinity to human COPB1 incubated for 45 mins by Kinobead based pull down assay
50022496	367	ChEMBL_2514338	Binding affinity to human COPB2 incubated for 45 mins by Kinobead based pull down assay
50022496	368	ChEMBL_2514339	Binding affinity to human COPE incubated for 45 mins by Kinobead based pull down assay
50022496	369	ChEMBL_2514340	Binding affinity to human COPG1 incubated for 45 mins by Kinobead based pull down assay
50022496	370	ChEMBL_2514341	Binding affinity to human COPG2 incubated for 45 mins by Kinobead based pull down assay
50022496	371	ChEMBL_2514342	Binding affinity to human COPS2 incubated for 45 mins by Kinobead based pull down assay
50022496	372	ChEMBL_2514343	Binding affinity to human COPS3 incubated for 45 mins by Kinobead based pull down assay
50022496	373	ChEMBL_2514344	Binding affinity to human COPS5 incubated for 45 mins by Kinobead based pull down assay
50022496	374	ChEMBL_2514345	Binding affinity to human COPS6 incubated for 45 mins by Kinobead based pull down assay
50022496	375	ChEMBL_2514346	Binding affinity to human COPS8 incubated for 45 mins by Kinobead based pull down assay
50022496	376	ChEMBL_2514347	Binding affinity to human CORO1A incubated for 45 mins by Kinobead based pull down assay
50022496	377	ChEMBL_2514348	Binding affinity to human CORO1C incubated for 45 mins by Kinobead based pull down assay
50022496	378	ChEMBL_2514349	Binding affinity to human COX15 incubated for 45 mins by Kinobead based pull down assay
50022496	379	ChEMBL_2514350	Binding affinity to human COX4I1 incubated for 45 mins by Kinobead based pull down assay
50022496	380	ChEMBL_2514351	Binding affinity to human COX5A incubated for 45 mins by Kinobead based pull down assay
50022496	381	ChEMBL_2514352	Binding affinity to human COX5B incubated for 45 mins by Kinobead based pull down assay
50022496	382	ChEMBL_2514353	Binding affinity to human COX6A1 incubated for 45 mins by Kinobead based pull down assay
50022496	383	ChEMBL_2514354	Binding affinity to human COX6B1 incubated for 45 mins by Kinobead based pull down assay
50022496	384	ChEMBL_2514355	Binding affinity to human COX6C incubated for 45 mins by Kinobead based pull down assay
50022496	385	ChEMBL_2514356	Binding affinity to human CPS1 incubated for 45 mins by Kinobead based pull down assay
50022496	386	ChEMBL_2514357	Binding affinity to human CPSF6 incubated for 45 mins by Kinobead based pull down assay
50022496	387	ChEMBL_2514358	Binding affinity to human CPSF7 incubated for 45 mins by Kinobead based pull down assay
50022496	388	ChEMBL_2514359	Binding affinity to human CPT1A incubated for 45 mins by Kinobead based pull down assay
50022496	389	ChEMBL_2514360	Binding affinity to human CRKL incubated for 45 mins by Kinobead based pull down assay
50022496	390	ChEMBL_2514362	Binding affinity to human EIF3M incubated for 45 mins by Kinobead based pull down assay
50022496	391	ChEMBL_2514363	Binding affinity to human EIF3L incubated for 45 mins by Kinobead based pull down assay
50022496	392	ChEMBL_2514364	Binding affinity to human EIF3K incubated for 45 mins by Kinobead based pull down assay
50022496	393	ChEMBL_2514365	Binding affinity to human EIF3J incubated for 45 mins by Kinobead based pull down assay
50022496	394	ChEMBL_2514366	Binding affinity to human EIF3H incubated for 45 mins by Kinobead based pull down assay
50022496	395	ChEMBL_2514367	Binding affinity to human EIF3I incubated for 45 mins by Kinobead based pull down assay
50022496	396	ChEMBL_2514368	Binding affinity to human EIF3G incubated for 45 mins by Kinobead based pull down assay
50022496	397	ChEMBL_2514369	Binding affinity to human EIF3E incubated for 45 mins by Kinobead based pull down assay
50022496	398	ChEMBL_2514370	Binding affinity to human EIF3F incubated for 45 mins by Kinobead based pull down assay
50022496	399	ChEMBL_2514371	Binding affinity to human EIF3D incubated for 45 mins by Kinobead based pull down assay
50022496	400	ChEMBL_2514373	Binding affinity to human EIF3A incubated for 45 mins by Kinobead based pull down assay
50022496	401	ChEMBL_2514374	Binding affinity to human EIF3B incubated for 45 mins by Kinobead based pull down assay
50022496	402	ChEMBL_2514375	Binding affinity to human CS incubated for 45 mins by Kinobead based pull down assay
50022496	403	ChEMBL_2514376	Binding affinity to human CSDE1 incubated for 45 mins by Kinobead based pull down assay
50022496	404	ChEMBL_2514377	Binding affinity to human CSE1L incubated for 45 mins by Kinobead based pull down assay
50022496	405	ChEMBL_2514378	Binding affinity to human CSK incubated for 45 mins by Kinobead based pull down assay
50022496	406	ChEMBL_2514379	Binding affinity to human CSNK1A1 incubated for 45 mins by Kinobead based pull down assay
50022496	407	ChEMBL_2514380	Binding affinity to human CSNK1D incubated for 45 mins by Kinobead based pull down assay
50022496	408	ChEMBL_2514381	Binding affinity to human CSNK1E incubated for 45 mins by Kinobead based pull down assay
50022496	409	ChEMBL_2514382	Binding affinity to human CSNK1G1 incubated for 45 mins by Kinobead based pull down assay
50022496	410	ChEMBL_2514383	Binding affinity to human CSNK1G2 incubated for 45 mins by Kinobead based pull down assay
50022496	411	ChEMBL_2514384	Binding affinity to human CSNK1G3 incubated for 45 mins by Kinobead based pull down assay
50022496	412	ChEMBL_2514386	Binding affinity to human CSNK2A2 incubated for 45 mins by Kinobead based pull down assay
50022496	413	ChEMBL_2514387	Binding affinity to human CSNK2B incubated for 45 mins by Kinobead based pull down assay
50022496	414	ChEMBL_2514388	Binding affinity to human CSTB incubated for 45 mins by Kinobead based pull down assay
50022496	415	ChEMBL_2514391	Binding affinity to human CTNNA1 incubated for 45 mins by Kinobead based pull down assay
50022496	416	ChEMBL_2514392	Binding affinity to human CTNNBL1 incubated for 45 mins by Kinobead based pull down assay
50022496	417	ChEMBL_2514393	Binding affinity to human CTNND1 incubated for 45 mins by Kinobead based pull down assay
50022496	418	ChEMBL_2514394	Binding affinity to human CTPS1 incubated for 45 mins by Kinobead based pull down assay
50022496	419	ChEMBL_2514395	Binding affinity to human CTR9 incubated for 45 mins by Kinobead based pull down assay
50022496	420	ChEMBL_2514396	Binding affinity to human CTSA incubated for 45 mins by Kinobead based pull down assay
50022496	421	ChEMBL_2514397	Binding affinity to human CTSB incubated for 45 mins by Kinobead based pull down assay
50022496	422	ChEMBL_2514398	Binding affinity to human CTSC incubated for 45 mins by Kinobead based pull down assay
50022496	423	ChEMBL_2514399	Binding affinity to human CTSD incubated for 45 mins by Kinobead based pull down assay
50022496	424	ChEMBL_2514400	Binding affinity to human CTSZ incubated for 45 mins by Kinobead based pull down assay
50022496	425	ChEMBL_2514401	Binding affinity to human CTTN incubated for 45 mins by Kinobead based pull down assay
50022496	426	ChEMBL_2514402	Binding affinity to human CUL1 incubated for 45 mins by Kinobead based pull down assay
50022496	427	ChEMBL_2514403	Binding affinity to human CUL2 incubated for 45 mins by Kinobead based pull down assay
50022496	428	ChEMBL_2514404	Binding affinity to human CUL3 incubated for 45 mins by Kinobead based pull down assay
50022496	429	ChEMBL_2514405	Binding affinity to human CUL4B incubated for 45 mins by Kinobead based pull down assay
50022496	430	ChEMBL_2514406	Binding affinity to human CUTA incubated for 45 mins by Kinobead based pull down assay
50022496	431	ChEMBL_2514407	Binding affinity to human CWC15 incubated for 45 mins by Kinobead based pull down assay
50022496	432	ChEMBL_2514408	Binding affinity to human CYBA incubated for 45 mins by Kinobead based pull down assay
50022496	433	ChEMBL_2514409	Binding affinity to human CYC1 incubated for 45 mins by Kinobead based pull down assay
50022496	434	ChEMBL_2514410	Binding affinity to human CYCS incubated for 45 mins by Kinobead based pull down assay
50022496	435	ChEMBL_2514411	Binding affinity to human CYFIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	436	ChEMBL_2514412	Binding affinity to human DAD1 incubated for 45 mins by Kinobead based pull down assay
50022496	437	ChEMBL_2514413	Binding affinity to human DAK incubated for 45 mins by Kinobead based pull down assay
50022496	438	ChEMBL_2514414	Binding affinity to human DAP3 incubated for 45 mins by Kinobead based pull down assay
50022496	439	ChEMBL_2514415	Binding affinity to human DARS incubated for 45 mins by Kinobead based pull down assay
50022496	440	ChEMBL_2514416	Binding affinity to human DAZAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	441	ChEMBL_2514417	Binding affinity to human DBH incubated for 45 mins by Kinobead based pull down assay
50022496	442	ChEMBL_2514418	Binding affinity to human DBI incubated for 45 mins by Kinobead based pull down assay
50022496	443	ChEMBL_2514419	Binding affinity to human DBN1 incubated for 45 mins by Kinobead based pull down assay
50022496	444	ChEMBL_2514420	Binding affinity to human DBNL incubated for 45 mins by Kinobead based pull down assay
50022496	445	ChEMBL_2514421	Binding affinity to human DCAF7 incubated for 45 mins by Kinobead based pull down assay
50022496	446	ChEMBL_2514422	Binding affinity to human DCK incubated for 45 mins by Kinobead based pull down assay
50022496	447	ChEMBL_2514423	Binding affinity to human DCPS incubated for 45 mins by Kinobead based pull down assay
50022496	448	ChEMBL_2514424	Binding affinity to human DCTD incubated for 45 mins by Kinobead based pull down assay
50022496	449	ChEMBL_2514425	Binding affinity to human DCTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	450	ChEMBL_2514426	Binding affinity to human DCTN3 incubated for 45 mins by Kinobead based pull down assay
50022496	451	ChEMBL_2514427	Binding affinity to human DCTPP1 incubated for 45 mins by Kinobead based pull down assay
50022496	452	ChEMBL_2514428	Binding affinity to human DCX incubated for 45 mins by Kinobead based pull down assay
50022496	453	ChEMBL_2514429	Binding affinity to human DCXR incubated for 45 mins by Kinobead based pull down assay
50022496	454	ChEMBL_2514430	Binding affinity to human DDB1 incubated for 45 mins by Kinobead based pull down assay
50022496	455	ChEMBL_2514431	Binding affinity to human DDC incubated for 45 mins by Kinobead based pull down assay
50022496	456	ChEMBL_2514432	Binding affinity to human DDOST incubated for 45 mins by Kinobead based pull down assay
50022496	457	ChEMBL_2514433	Binding affinity to human DDR1 incubated for 45 mins by Kinobead based pull down assay
50022496	458	ChEMBL_2514434	Binding affinity to human DDR2 incubated for 45 mins by Kinobead based pull down assay
50022496	459	ChEMBL_2514435	Binding affinity to human DDRGK1 incubated for 45 mins by Kinobead based pull down assay
50022496	460	ChEMBL_2514437	Binding affinity to human DDX1 incubated for 45 mins by Kinobead based pull down assay
50022496	461	ChEMBL_2514438	Binding affinity to human DDX17 incubated for 45 mins by Kinobead based pull down assay
50022496	462	ChEMBL_2514439	Binding affinity to human DDX18 incubated for 45 mins by Kinobead based pull down assay
50022496	463	ChEMBL_2514441	Binding affinity to human DDX20 incubated for 45 mins by Kinobead based pull down assay
50022496	464	ChEMBL_2514442	Binding affinity to human DDX42 incubated for 45 mins by Kinobead based pull down assay
50022496	465	ChEMBL_2514443	Binding affinity to human DDX3X incubated for 45 mins by Kinobead based pull down assay
50022496	466	ChEMBL_2514444	Binding affinity to human DDX39B incubated for 45 mins by Kinobead based pull down assay
50022496	467	ChEMBL_2514445	Binding affinity to human DDX21 incubated for 45 mins by Kinobead based pull down assay
50022496	468	ChEMBL_2514446	Binding affinity to human DDX24 incubated for 45 mins by Kinobead based pull down assay
50022496	469	ChEMBL_2514447	Binding affinity to human DDX5 incubated for 45 mins by Kinobead based pull down assay
50022496	470	ChEMBL_2514448	Binding affinity to human DDX6 incubated for 45 mins by Kinobead based pull down assay
50022496	471	ChEMBL_2514449	Binding affinity to human DECR1 incubated for 45 mins by Kinobead based pull down assay
50022496	472	ChEMBL_2514450	Binding affinity to human DECR2 incubated for 45 mins by Kinobead based pull down assay
50022496	473	ChEMBL_2514451	Binding affinity to human DENR incubated for 45 mins by Kinobead based pull down assay
50022496	474	ChEMBL_2514452	Binding affinity to human DERA incubated for 45 mins by Kinobead based pull down assay
50022496	475	ChEMBL_2514453	Binding affinity to human DERL1 incubated for 45 mins by Kinobead based pull down assay
50022496	476	ChEMBL_2514454	Binding affinity to human DGAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	477	ChEMBL_2514455	Binding affinity to human DHCR24 incubated for 45 mins by Kinobead based pull down assay
50022496	478	ChEMBL_2514456	Binding affinity to human DHCR7 incubated for 45 mins by Kinobead based pull down assay
50022496	479	ChEMBL_2514457	Binding affinity to human DHPS incubated for 45 mins by Kinobead based pull down assay
50022496	480	ChEMBL_2514458	Binding affinity to human DHX15 incubated for 45 mins by Kinobead based pull down assay
50022496	481	ChEMBL_2514459	Binding affinity to human DHX36 incubated for 45 mins by Kinobead based pull down assay
50022496	482	ChEMBL_2514460	Binding affinity to human DHX9 incubated for 45 mins by Kinobead based pull down assay
50022496	483	ChEMBL_2514461	Binding affinity to human DIAPH1 incubated for 45 mins by Kinobead based pull down assay
50022496	484	ChEMBL_2514462	Binding affinity to human DIMT1 incubated for 45 mins by Kinobead based pull down assay
50022496	485	ChEMBL_2514463	Binding affinity to human DIS3 incubated for 45 mins by Kinobead based pull down assay
50022496	486	ChEMBL_2514464	Binding affinity to human DKC1 incubated for 45 mins by Kinobead based pull down assay
50022496	487	ChEMBL_2514465	Binding affinity to human DLAT incubated for 45 mins by Kinobead based pull down assay
50022496	488	ChEMBL_2514466	Binding affinity to human DLD incubated for 45 mins by Kinobead based pull down assay
50022496	489	ChEMBL_2514467	Binding affinity to human DLST incubated for 45 mins by Kinobead based pull down assay
50022496	490	ChEMBL_2514468	Binding affinity to human DNAH12 incubated for 45 mins by Kinobead based pull down assay
50022496	491	ChEMBL_2514469	Binding affinity to human DNAJA1 incubated for 45 mins by Kinobead based pull down assay
50022496	492	ChEMBL_2514470	Binding affinity to human DNAJA2 incubated for 45 mins by Kinobead based pull down assay
50022496	493	ChEMBL_2514471	Binding affinity to human DNAJA3 incubated for 45 mins by Kinobead based pull down assay
50022496	494	ChEMBL_2514472	Binding affinity to human DNAJB11 incubated for 45 mins by Kinobead based pull down assay
50022496	495	ChEMBL_2514473	Binding affinity to human DNAJB12 incubated for 45 mins by Kinobead based pull down assay
50022496	496	ChEMBL_2514474	Binding affinity to human DNAJC10 incubated for 45 mins by Kinobead based pull down assay
50022496	497	ChEMBL_2514475	Binding affinity to human DNAJC5 incubated for 45 mins by Kinobead based pull down assay
50022496	498	ChEMBL_2514476	Binding affinity to human DNM1L incubated for 45 mins by Kinobead based pull down assay
50022496	499	ChEMBL_2514477	Binding affinity to human DNM2 incubated for 45 mins by Kinobead based pull down assay
50022496	500	ChEMBL_2514478	Binding affinity to human DNPEP incubated for 45 mins by Kinobead based pull down assay
50022496	501	ChEMBL_2514479	Binding affinity to human DNPH1 incubated for 45 mins by Kinobead based pull down assay
50022496	502	ChEMBL_2514480	Binding affinity to human DOCK11 incubated for 45 mins by Kinobead based pull down assay
50022496	503	ChEMBL_2514481	Binding affinity to human DPM1 incubated for 45 mins by Kinobead based pull down assay
50022496	504	ChEMBL_2514482	Binding affinity to human DPP3 incubated for 45 mins by Kinobead based pull down assay
50022496	505	ChEMBL_2514483	Binding affinity to human DPP7 incubated for 45 mins by Kinobead based pull down assay
50022496	506	ChEMBL_2514484	Binding affinity to human DPYSL2 incubated for 45 mins by Kinobead based pull down assay
50022496	507	ChEMBL_2514485	Binding affinity to human DPYSL3 incubated for 45 mins by Kinobead based pull down assay
50022496	508	ChEMBL_2514486	Binding affinity to human DRG1 incubated for 45 mins by Kinobead based pull down assay
50022496	509	ChEMBL_2514487	Binding affinity to human DSP incubated for 45 mins by Kinobead based pull down assay
50022496	510	ChEMBL_2514488	Binding affinity to human DSTN incubated for 45 mins by Kinobead based pull down assay
50022496	511	ChEMBL_2514489	Binding affinity to human DTD1 incubated for 45 mins by Kinobead based pull down assay
50022496	512	ChEMBL_2514490	Binding affinity to human DTYMK incubated for 45 mins by Kinobead based pull down assay
50022496	513	ChEMBL_2514491	Binding affinity to human DUT incubated for 45 mins by Kinobead based pull down assay
50022496	514	ChEMBL_2514492	Binding affinity to human DYNC1H1 incubated for 45 mins by Kinobead based pull down assay
50022496	515	ChEMBL_2514493	Binding affinity to human DYNC1I2 incubated for 45 mins by Kinobead based pull down assay
50022496	516	ChEMBL_2514494	Binding affinity to human DYNC1LI1 incubated for 45 mins by Kinobead based pull down assay
50022496	517	ChEMBL_2514495	Binding affinity to human DYNC1LI2 incubated for 45 mins by Kinobead based pull down assay
50022496	518	ChEMBL_2514496	Binding affinity to human DYNLL1 incubated for 45 mins by Kinobead based pull down assay
50022496	519	ChEMBL_2514497	Binding affinity to human DYNLL2 incubated for 45 mins by Kinobead based pull down assay
50022496	520	ChEMBL_2514498	Binding affinity to human DYRK1A incubated for 45 mins by Kinobead based pull down assay
50022496	521	ChEMBL_2514499	Binding affinity to human EBNA1BP2 incubated for 45 mins by Kinobead based pull down assay
50022496	522	ChEMBL_2514500	Binding affinity to human EBP incubated for 45 mins by Kinobead based pull down assay
50022496	523	ChEMBL_2514501	Binding affinity to human ECH1 incubated for 45 mins by Kinobead based pull down assay
50022496	524	ChEMBL_2514502	Binding affinity to human ECHS1 incubated for 45 mins by Kinobead based pull down assay
50022496	525	ChEMBL_2514503	Binding affinity to human ECI1 incubated for 45 mins by Kinobead based pull down assay
50022496	526	ChEMBL_2514504	Binding affinity to human ECM29 incubated for 45 mins by Kinobead based pull down assay
50022496	527	ChEMBL_2514505	Binding affinity to human EDF1 incubated for 45 mins by Kinobead based pull down assay
50022496	528	ChEMBL_2514506	Binding affinity to human EEA1 incubated for 45 mins by Kinobead based pull down assay
50022496	529	ChEMBL_2514508	Binding affinity to human EEF1D incubated for 45 mins by Kinobead based pull down assay
50022496	530	ChEMBL_2514509	Binding affinity to human EEF1E1 incubated for 45 mins by Kinobead based pull down assay
50022496	531	ChEMBL_2514510	Binding affinity to human EEF1G incubated for 45 mins by Kinobead based pull down assay
50022496	532	ChEMBL_2514511	Binding affinity to human EEF2 incubated for 45 mins by Kinobead based pull down assay
50022496	533	ChEMBL_2514512	Binding affinity to human EFHD2 incubated for 45 mins by Kinobead based pull down assay
50022496	534	ChEMBL_2514513	Binding affinity to human EFTUD2 incubated for 45 mins by Kinobead based pull down assay
50022496	535	ChEMBL_2514514	Binding affinity to human EGFR incubated for 45 mins by Kinobead based pull down assay
50022496	536	ChEMBL_2514515	Binding affinity to human EI24 incubated for 45 mins by Kinobead based pull down assay
50022496	537	ChEMBL_2514517	Binding affinity to human EIF2A incubated for 45 mins by Kinobead based pull down assay
50022496	538	ChEMBL_2514518	Binding affinity to human EIF2AK1 incubated for 45 mins by Kinobead based pull down assay
50022496	539	ChEMBL_2514519	Binding affinity to human EIF2B1 incubated for 45 mins by Kinobead based pull down assay
50022496	540	ChEMBL_2514520	Binding affinity to human EIF2B2 incubated for 45 mins by Kinobead based pull down assay
50022496	541	ChEMBL_2514521	Binding affinity to human EIF2B3 incubated for 45 mins by Kinobead based pull down assay
50022496	542	ChEMBL_2514522	Binding affinity to human EIF2B4 incubated for 45 mins by Kinobead based pull down assay
50022496	543	ChEMBL_2514523	Binding affinity to human EIF2S1 incubated for 45 mins by Kinobead based pull down assay
50022496	544	ChEMBL_2514524	Binding affinity to human EIF2S2 incubated for 45 mins by Kinobead based pull down assay
50022496	545	ChEMBL_2514526	Binding affinity to human EIF4A1 incubated for 45 mins by Kinobead based pull down assay
50022496	546	ChEMBL_2514527	Binding affinity to human EIF4A3 incubated for 45 mins by Kinobead based pull down assay
50022496	547	ChEMBL_2514528	Binding affinity to human EIF4B incubated for 45 mins by Kinobead based pull down assay
50022496	548	ChEMBL_2514529	Binding affinity to human EIF4E incubated for 45 mins by Kinobead based pull down assay
50022496	549	ChEMBL_2514530	Binding affinity to human EIF4G1 incubated for 45 mins by Kinobead based pull down assay
50022496	550	ChEMBL_2514531	Binding affinity to human EIF4G2 incubated for 45 mins by Kinobead based pull down assay
50022496	551	ChEMBL_2514532	Binding affinity to human EIF4H incubated for 45 mins by Kinobead based pull down assay
50022496	552	ChEMBL_2514534	Binding affinity to human EIF5B incubated for 45 mins by Kinobead based pull down assay
50022496	553	ChEMBL_2514535	Binding affinity to human EIF6 incubated for 45 mins by Kinobead based pull down assay
50022496	554	ChEMBL_2514536	Binding affinity to human ELAVL1 incubated for 45 mins by Kinobead based pull down assay
50022496	555	ChEMBL_2514537	Binding affinity to human ELOVL1 incubated for 45 mins by Kinobead based pull down assay
50022496	556	ChEMBL_2514538	Binding affinity to human ELOVL5 incubated for 45 mins by Kinobead based pull down assay
50022496	557	ChEMBL_2514539	Binding affinity to human EMC2 incubated for 45 mins by Kinobead based pull down assay
50022496	558	ChEMBL_2514540	Binding affinity to human EMC3 incubated for 45 mins by Kinobead based pull down assay
50022496	559	ChEMBL_2514541	Binding affinity to human EMD incubated for 45 mins by Kinobead based pull down assay
50022496	560	ChEMBL_2514542	Binding affinity to human ENDOD1 incubated for 45 mins by Kinobead based pull down assay
50022496	561	ChEMBL_2514543	Binding affinity to human ENO1 incubated for 45 mins by Kinobead based pull down assay
50022496	562	ChEMBL_2514544	Binding affinity to human EPB41 incubated for 45 mins by Kinobead based pull down assay
50022496	563	ChEMBL_2514545	Binding affinity to human EPB41L2 incubated for 45 mins by Kinobead based pull down assay
50022496	564	ChEMBL_2514546	Binding affinity to human EPCAM incubated for 45 mins by Kinobead based pull down assay
50022496	565	ChEMBL_2514547	Binding affinity to human EPDR1 incubated for 45 mins by Kinobead based pull down assay
50022496	566	ChEMBL_2514548	Binding affinity to human EPRS incubated for 45 mins by Kinobead based pull down assay
50022496	567	ChEMBL_2514549	Binding affinity to human EPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	568	ChEMBL_2514550	Binding affinity to human ERAL1 incubated for 45 mins by Kinobead based pull down assay
50022496	569	ChEMBL_2514551	Binding affinity to human ERAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	570	ChEMBL_2514552	Binding affinity to human ERCC2 incubated for 45 mins by Kinobead based pull down assay
50022496	571	ChEMBL_2514553	Binding affinity to human ERGIC1 incubated for 45 mins by Kinobead based pull down assay
50022496	572	ChEMBL_2514554	Binding affinity to human ERH incubated for 45 mins by Kinobead based pull down assay
50022496	573	ChEMBL_2514555	Binding affinity to human ERLIN1 incubated for 45 mins by Kinobead based pull down assay
50022496	574	ChEMBL_2514556	Binding affinity to human ERLIN2 incubated for 45 mins by Kinobead based pull down assay
50022496	575	ChEMBL_2514557	Binding affinity to human ERMP1 incubated for 45 mins by Kinobead based pull down assay
50022496	576	ChEMBL_2514558	Binding affinity to human ERN1 incubated for 45 mins by Kinobead based pull down assay
50022496	577	ChEMBL_2514559	Binding affinity to human ERN2 incubated for 45 mins by Kinobead based pull down assay
50022496	578	ChEMBL_2514560	Binding affinity to human ERO1L incubated for 45 mins by Kinobead based pull down assay
50022496	579	ChEMBL_2514561	Binding affinity to human ERP29 incubated for 45 mins by Kinobead based pull down assay
50022496	580	ChEMBL_2514562	Binding affinity to human ERP44 incubated for 45 mins by Kinobead based pull down assay
50022496	581	ChEMBL_2514563	Binding affinity to human ESD incubated for 45 mins by Kinobead based pull down assay
50022496	582	ChEMBL_2514564	Binding affinity to human ESYT1 incubated for 45 mins by Kinobead based pull down assay
50022496	583	ChEMBL_2514565	Binding affinity to human ESYT2 incubated for 45 mins by Kinobead based pull down assay
50022496	584	ChEMBL_2514566	Binding affinity to human ETF1 incubated for 45 mins by Kinobead based pull down assay
50022496	585	ChEMBL_2514567	Binding affinity to human ETFA incubated for 45 mins by Kinobead based pull down assay
50022496	586	ChEMBL_2514568	Binding affinity to human ETFB incubated for 45 mins by Kinobead based pull down assay
50022496	587	ChEMBL_2514569	Binding affinity to human EWSR1 incubated for 45 mins by Kinobead based pull down assay
50022496	588	ChEMBL_2514570	Binding affinity to human EXOC1 incubated for 45 mins by Kinobead based pull down assay
50022496	589	ChEMBL_2514571	Binding affinity to human EXOC3 incubated for 45 mins by Kinobead based pull down assay
50022496	590	ChEMBL_2514572	Binding affinity to human EXOC4 incubated for 45 mins by Kinobead based pull down assay
50022496	591	ChEMBL_2514573	Binding affinity to human EXOSC10 incubated for 45 mins by Kinobead based pull down assay
50022496	592	ChEMBL_2514574	Binding affinity to human EXOSC4 incubated for 45 mins by Kinobead based pull down assay
50022496	593	ChEMBL_2514575	Binding affinity to human EXOSC5 incubated for 45 mins by Kinobead based pull down assay
50022496	594	ChEMBL_2514576	Binding affinity to human EXOSC9 incubated for 45 mins by Kinobead based pull down assay
50022496	595	ChEMBL_2514577	Binding affinity to human EZR incubated for 45 mins by Kinobead based pull down assay
50022496	596	ChEMBL_2514578	Binding affinity to human FABP5 incubated for 45 mins by Kinobead based pull down assay
50022496	597	ChEMBL_2514579	Binding affinity to human FADS2 incubated for 45 mins by Kinobead based pull down assay
50022496	598	ChEMBL_2514580	Binding affinity to human FAH incubated for 45 mins by Kinobead based pull down assay
50022496	599	ChEMBL_2514581	Binding affinity to human FAM120A incubated for 45 mins by Kinobead based pull down assay
50022496	600	ChEMBL_2514582	Binding affinity to human FAM129B incubated for 45 mins by Kinobead based pull down assay
50022496	601	ChEMBL_2514583	Binding affinity to human FAM136A incubated for 45 mins by Kinobead based pull down assay
50022496	602	ChEMBL_2514584	Binding affinity to human FAM162A incubated for 45 mins by Kinobead based pull down assay
50022496	603	ChEMBL_2514585	Binding affinity to human FAM222B incubated for 45 mins by Kinobead based pull down assay
50022496	604	ChEMBL_2514586	Binding affinity to human FAM49B incubated for 45 mins by Kinobead based pull down assay
50022496	605	ChEMBL_2514587	Binding affinity to human FAM83A incubated for 45 mins by Kinobead based pull down assay
50022496	606	ChEMBL_2514588	Binding affinity to human FAM83B incubated for 45 mins by Kinobead based pull down assay
50022496	607	ChEMBL_2514589	Binding affinity to human FAM83E incubated for 45 mins by Kinobead based pull down assay
50022496	608	ChEMBL_2514590	Binding affinity to human FANCD2 incubated for 45 mins by Kinobead based pull down assay
50022496	609	ChEMBL_2514591	Binding affinity to human FANCI incubated for 45 mins by Kinobead based pull down assay
50022496	610	ChEMBL_2514592	Binding affinity to human FAR1 incubated for 45 mins by Kinobead based pull down assay
50022496	611	ChEMBL_2514593	Binding affinity to human FARSA incubated for 45 mins by Kinobead based pull down assay
50022496	612	ChEMBL_2514594	Binding affinity to human FARSB incubated for 45 mins by Kinobead based pull down assay
50022496	613	ChEMBL_2514595	Binding affinity to human FASN incubated for 45 mins by Kinobead based pull down assay
50022496	614	ChEMBL_2514596	Binding affinity to human FASTKD1 incubated for 45 mins by Kinobead based pull down assay
50022496	615	ChEMBL_2514597	Binding affinity to human FASTKD5 incubated for 45 mins by Kinobead based pull down assay
50022496	616	ChEMBL_2514598	Binding affinity to human FAU incubated for 45 mins by Kinobead based pull down assay
50022496	617	ChEMBL_2514599	Binding affinity to human FBL incubated for 45 mins by Kinobead based pull down assay
50022496	618	ChEMBL_2514600	Binding affinity to human FDFT1 incubated for 45 mins by Kinobead based pull down assay
50022496	619	ChEMBL_2514601	Binding affinity to human FDPS incubated for 45 mins by Kinobead based pull down assay
50022496	620	ChEMBL_2514602	Binding affinity to human FECH incubated for 45 mins by Kinobead based pull down assay
50022496	621	ChEMBL_2514603	Binding affinity to human FEN1 incubated for 45 mins by Kinobead based pull down assay
50022496	622	ChEMBL_2514604	Binding affinity to human FER incubated for 45 mins by Kinobead based pull down assay
50022496	623	ChEMBL_2514605	Binding affinity to human FES incubated for 45 mins by Kinobead based pull down assay
50022496	624	ChEMBL_2514606	Binding affinity to human FGFR1 incubated for 45 mins by Kinobead based pull down assay
50022496	625	ChEMBL_2514607	Binding affinity to human FH incubated for 45 mins by Kinobead based pull down assay
50022496	626	ChEMBL_2514608	Binding affinity to human FIBP incubated for 45 mins by Kinobead based pull down assay
50022496	627	ChEMBL_2514609	Binding affinity to human FIS1 incubated for 45 mins by Kinobead based pull down assay
50022496	628	ChEMBL_2514610	Binding affinity to human FKBP1A incubated for 45 mins by Kinobead based pull down assay
50022496	629	ChEMBL_2514611	Binding affinity to human FKBP3 incubated for 45 mins by Kinobead based pull down assay
50022496	630	ChEMBL_2514612	Binding affinity to human FKBP4 incubated for 45 mins by Kinobead based pull down assay
50022496	631	ChEMBL_2514613	Binding affinity to human FKBP5 incubated for 45 mins by Kinobead based pull down assay
50022496	632	ChEMBL_2514614	Binding affinity to human FKBP8 incubated for 45 mins by Kinobead based pull down assay
50022496	633	ChEMBL_2514615	Binding affinity to human FLNA incubated for 45 mins by Kinobead based pull down assay
50022496	634	ChEMBL_2514616	Binding affinity to human FLNB incubated for 45 mins by Kinobead based pull down assay
50022496	635	ChEMBL_2514617	Binding affinity to human FLT3 incubated for 45 mins by Kinobead based pull down assay
50022496	636	ChEMBL_2514618	Binding affinity to human FMNL1 incubated for 45 mins by Kinobead based pull down assay
50022496	637	ChEMBL_2514619	Binding affinity to human FN3K incubated for 45 mins by Kinobead based pull down assay
50022496	638	ChEMBL_2514620	Binding affinity to human FN3KRP incubated for 45 mins by Kinobead based pull down assay
50022496	639	ChEMBL_2514621	Binding affinity to human FRK incubated for 45 mins by Kinobead based pull down assay
50022496	640	ChEMBL_2514622	Binding affinity to human FSCN1 incubated for 45 mins by Kinobead based pull down assay
50022496	641	ChEMBL_2514623	Binding affinity to human FTH1 incubated for 45 mins by Kinobead based pull down assay
50022496	642	ChEMBL_2514624	Binding affinity to human FUBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	643	ChEMBL_2514625	Binding affinity to human FUBP3 incubated for 45 mins by Kinobead based pull down assay
50022496	644	ChEMBL_2514626	Binding affinity to human FUS incubated for 45 mins by Kinobead based pull down assay
50022496	645	ChEMBL_2514627	Binding affinity to human FXR1 incubated for 45 mins by Kinobead based pull down assay
50022496	646	ChEMBL_2514628	Binding affinity to human FYN incubated for 45 mins by Kinobead based pull down assay
50022496	647	ChEMBL_2514629	Binding affinity to human G3BP1 incubated for 45 mins by Kinobead based pull down assay
50022496	648	ChEMBL_2514630	Binding affinity to human G3BP2 incubated for 45 mins by Kinobead based pull down assay
50022496	649	ChEMBL_2514631	Binding affinity to human G6PD incubated for 45 mins by Kinobead based pull down assay
50022496	650	ChEMBL_2514632	Binding affinity to human GAK incubated for 45 mins by Kinobead based pull down assay
50022496	651	ChEMBL_2514633	Binding affinity to human GALC incubated for 45 mins by Kinobead based pull down assay
50022496	652	ChEMBL_2514634	Binding affinity to human GANAB incubated for 45 mins by Kinobead based pull down assay
50022496	653	ChEMBL_2514635	Binding affinity to human GAP43 incubated for 45 mins by Kinobead based pull down assay
50022496	654	ChEMBL_2514636	Binding affinity to human GAPDH incubated for 45 mins by Kinobead based pull down assay
50022496	655	ChEMBL_2514637	Binding affinity to human GAPVD1 incubated for 45 mins by Kinobead based pull down assay
50022496	656	ChEMBL_2514638	Binding affinity to human GAR1 incubated for 45 mins by Kinobead based pull down assay
50022496	657	ChEMBL_2514639	Binding affinity to human GARS incubated for 45 mins by Kinobead based pull down assay
50022496	658	ChEMBL_2514640	Binding affinity to human GART incubated for 45 mins by Kinobead based pull down assay
50022496	659	ChEMBL_2514641	Binding affinity to human GATAD2A incubated for 45 mins by Kinobead based pull down assay
50022496	660	ChEMBL_2514642	Binding affinity to human GATAD2B incubated for 45 mins by Kinobead based pull down assay
50022496	661	ChEMBL_2514643	Binding affinity to human GCDH incubated for 45 mins by Kinobead based pull down assay
50022496	662	ChEMBL_2514644	Binding affinity to human GCN1L1 incubated for 45 mins by Kinobead based pull down assay
50022496	663	ChEMBL_2514645	Binding affinity to human GDI1 incubated for 45 mins by Kinobead based pull down assay
50022496	664	ChEMBL_2514646	Binding affinity to human GDI2 incubated for 45 mins by Kinobead based pull down assay
50022496	665	ChEMBL_2514647	Binding affinity to human GEMIN4 incubated for 45 mins by Kinobead based pull down assay
50022496	666	ChEMBL_2514648	Binding affinity to human GEMIN5 incubated for 45 mins by Kinobead based pull down assay
50022496	667	ChEMBL_2514649	Binding affinity to human GFPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	668	ChEMBL_2514650	Binding affinity to human GGCT incubated for 45 mins by Kinobead based pull down assay
50022496	669	ChEMBL_2514651	Binding affinity to human GHDC incubated for 45 mins by Kinobead based pull down assay
50022496	670	ChEMBL_2514652	Binding affinity to human GHITM incubated for 45 mins by Kinobead based pull down assay
50022496	671	ChEMBL_2514653	Binding affinity to human GIGYF2 incubated for 45 mins by Kinobead based pull down assay
50022496	672	ChEMBL_2514654	Binding affinity to human GLG1 incubated for 45 mins by Kinobead based pull down assay
50022496	673	ChEMBL_2514655	Binding affinity to human GLI2 incubated for 45 mins by Kinobead based pull down assay
50022496	674	ChEMBL_2514656	Binding affinity to human GLO1 incubated for 45 mins by Kinobead based pull down assay
50022496	675	ChEMBL_2514657	Binding affinity to human GLRX3 incubated for 45 mins by Kinobead based pull down assay
50022496	676	ChEMBL_2514658	Binding affinity to human GLS incubated for 45 mins by Kinobead based pull down assay
50022496	677	ChEMBL_2514660	Binding affinity to human GMDS incubated for 45 mins by Kinobead based pull down assay
50022496	678	ChEMBL_2514661	Binding affinity to human GMFG incubated for 45 mins by Kinobead based pull down assay
50022496	679	ChEMBL_2514662	Binding affinity to human GMPS incubated for 45 mins by Kinobead based pull down assay
50022496	680	ChEMBL_2514663	Binding affinity to human GNAI2 incubated for 45 mins by Kinobead based pull down assay
50022496	681	ChEMBL_2514664	Binding affinity to human GNAI3 incubated for 45 mins by Kinobead based pull down assay
50022496	682	ChEMBL_2514665	Binding affinity to human GNB1 incubated for 45 mins by Kinobead based pull down assay
50022496	683	ChEMBL_2514667	Binding affinity to human GNB2L1 incubated for 45 mins by Kinobead based pull down assay
50022496	684	ChEMBL_2514668	Binding affinity to human GNPDA1 incubated for 45 mins by Kinobead based pull down assay
50022496	685	ChEMBL_2514669	Binding affinity to human GOLGA2 incubated for 45 mins by Kinobead based pull down assay
50022496	686	ChEMBL_2514670	Binding affinity to human GOLGA3 incubated for 45 mins by Kinobead based pull down assay
50022496	687	ChEMBL_2514671	Binding affinity to human GOLIM4 incubated for 45 mins by Kinobead based pull down assay
50022496	688	ChEMBL_2514672	Binding affinity to human GOLT1B incubated for 45 mins by Kinobead based pull down assay
50022496	689	ChEMBL_2514673	Binding affinity to human GOT1 incubated for 45 mins by Kinobead based pull down assay
50022496	690	ChEMBL_2514674	Binding affinity to human GOT2 incubated for 45 mins by Kinobead based pull down assay
50022496	691	ChEMBL_2514675	Binding affinity to human GPAA1 incubated for 45 mins by Kinobead based pull down assay
50022496	692	ChEMBL_2514676	Binding affinity to human GPI incubated for 45 mins by Kinobead based pull down assay
50022496	693	ChEMBL_2514677	Binding affinity to human GPKOW incubated for 45 mins by Kinobead based pull down assay
50022496	694	ChEMBL_2514678	Binding affinity to human GPR180 incubated for 45 mins by Kinobead based pull down assay
50022496	695	ChEMBL_2514680	Binding affinity to human GPS1 incubated for 45 mins by Kinobead based pull down assay
50022496	696	ChEMBL_2514681	Binding affinity to human GRAMD1A incubated for 45 mins by Kinobead based pull down assay
50022496	697	ChEMBL_2514682	Binding affinity to human GRB2 incubated for 45 mins by Kinobead based pull down assay
50022496	698	ChEMBL_2514683	Binding affinity to human GRHPR incubated for 45 mins by Kinobead based pull down assay
50022496	699	ChEMBL_2514684	Binding affinity to human GRK6 incubated for 45 mins by Kinobead based pull down assay
50022496	700	ChEMBL_2514685	Binding affinity to human GSK3A incubated for 45 mins by Kinobead based pull down assay
50022496	701	ChEMBL_2514686	Binding affinity to human GSK3B incubated for 45 mins by Kinobead based pull down assay
50022496	702	ChEMBL_2514687	Binding affinity to human GSKIP incubated for 45 mins by Kinobead based pull down assay
50022496	703	ChEMBL_2514688	Binding affinity to human GSR incubated for 45 mins by Kinobead based pull down assay
50022496	704	ChEMBL_2514689	Binding affinity to human GSS incubated for 45 mins by Kinobead based pull down assay
50022496	705	ChEMBL_2514690	Binding affinity to human GSTO1 incubated for 45 mins by Kinobead based pull down assay
50022496	706	ChEMBL_2514691	Binding affinity to human GSTP1 incubated for 45 mins by Kinobead based pull down assay
50022496	707	ChEMBL_2514692	Binding affinity to human GTF2E2 incubated for 45 mins by Kinobead based pull down assay
50022496	708	ChEMBL_2514693	Binding affinity to human BTK incubated for 45 mins by Kinobead based pull down assay
50022496	709	ChEMBL_2514694	Binding affinity to human CAMKK2 incubated for 45 mins by Kinobead based pull down assay
50022496	710	ChEMBL_2514695	Binding affinity to human GTF2I incubated for 45 mins by Kinobead based pull down assay
50022496	711	ChEMBL_2514696	Binding affinity to human GTF3C2 incubated for 45 mins by Kinobead based pull down assay
50022496	712	ChEMBL_2514697	Binding affinity to human GTF3C3 incubated for 45 mins by Kinobead based pull down assay
50022496	713	ChEMBL_2514698	Binding affinity to human GTF3C5 incubated for 45 mins by Kinobead based pull down assay
50022496	714	ChEMBL_2514699	Binding affinity to human GTPBP10 incubated for 45 mins by Kinobead based pull down assay
50022496	715	ChEMBL_2514700	Binding affinity to human GTPBP4 incubated for 45 mins by Kinobead based pull down assay
50022496	716	ChEMBL_2514701	Binding affinity to human H1F0 incubated for 45 mins by Kinobead based pull down assay
50022496	717	ChEMBL_2514702	Binding affinity to human H1FX incubated for 45 mins by Kinobead based pull down assay
50022496	718	ChEMBL_2514703	Binding affinity to human HACD3 incubated for 45 mins by Kinobead based pull down assay
50022496	719	ChEMBL_2514704	Binding affinity to human HADHA incubated for 45 mins by Kinobead based pull down assay
50022496	720	ChEMBL_2514705	Binding affinity to human HADHB incubated for 45 mins by Kinobead based pull down assay
50022496	721	ChEMBL_2514706	Binding affinity to human HARS incubated for 45 mins by Kinobead based pull down assay
50022496	722	ChEMBL_2514707	Binding affinity to human HAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	723	ChEMBL_2514708	Binding affinity to human HAX1 incubated for 45 mins by Kinobead based pull down assay
50022496	724	ChEMBL_2514709	Binding affinity to human HBG1 incubated for 45 mins by Kinobead based pull down assay
50022496	725	ChEMBL_2514710	Binding affinity to human HBG2 incubated for 45 mins by Kinobead based pull down assay
50022496	726	ChEMBL_2514711	Binding affinity to human HBS1L incubated for 45 mins by Kinobead based pull down assay
50022496	727	ChEMBL_2514712	Binding affinity to human HBZ incubated for 45 mins by Kinobead based pull down assay
50022496	728	ChEMBL_2514713	Binding affinity to human HCCS incubated for 45 mins by Kinobead based pull down assay
50022496	729	ChEMBL_2514714	Binding affinity to human HCFC1 incubated for 45 mins by Kinobead based pull down assay
50022496	730	ChEMBL_2514715	Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
50022496	731	ChEMBL_2514716	Binding affinity to human HCLS1 incubated for 45 mins by Kinobead based pull down assay
50022496	732	ChEMBL_2514717	Binding affinity to human HDAC1 incubated for 45 mins by Kinobead based pull down assay
50022496	733	ChEMBL_2514718	Binding affinity to human HDAC2 incubated for 45 mins by Kinobead based pull down assay
50022496	734	ChEMBL_2514719	Binding affinity to human HDAC6 incubated for 45 mins by Kinobead based pull down assay
50022496	735	ChEMBL_2514720	Binding affinity to human HDGF incubated for 45 mins by Kinobead based pull down assay
50022496	736	ChEMBL_2514721	Binding affinity to human HDLBP incubated for 45 mins by Kinobead based pull down assay
50022496	737	ChEMBL_2514722	Binding affinity to human HEATR1 incubated for 45 mins by Kinobead based pull down assay
50022496	738	ChEMBL_2514723	Binding affinity to human HEATR6 incubated for 45 mins by Kinobead based pull down assay
50022496	739	ChEMBL_2514724	Binding affinity to human HEXB incubated for 45 mins by Kinobead based pull down assay
50022496	740	ChEMBL_2514725	Binding affinity to human HIGD1A incubated for 45 mins by Kinobead based pull down assay
50022496	741	ChEMBL_2514726	Binding affinity to human HINT1 incubated for 45 mins by Kinobead based pull down assay
50022496	742	ChEMBL_2514727	Binding affinity to human HIST1H1B incubated for 45 mins by Kinobead based pull down assay
50022496	743	ChEMBL_2514728	Binding affinity to human HIST1H1C incubated for 45 mins by Kinobead based pull down assay
50022496	744	ChEMBL_2514729	Binding affinity to human HIST1H1E incubated for 45 mins by Kinobead based pull down assay
50022496	745	ChEMBL_2514732	Binding affinity to human HIST1H4A incubated for 45 mins by Kinobead based pull down assay
50022496	746	ChEMBL_2514735	Binding affinity to human HK1 incubated for 45 mins by Kinobead based pull down assay
50022496	747	ChEMBL_2514736	Binding affinity to human HKDC1 incubated for 45 mins by Kinobead based pull down assay
50022496	748	ChEMBL_2514737	Binding affinity to human HLA-A incubated for 45 mins by Kinobead based pull down assay
50022496	749	ChEMBL_2514738	Binding affinity to human HLA-C incubated for 45 mins by Kinobead based pull down assay
50022496	750	ChEMBL_2514739	Binding affinity to human HM13 incubated for 45 mins by Kinobead based pull down assay
50022496	751	ChEMBL_2514740	Binding affinity to human HMGB1 incubated for 45 mins by Kinobead based pull down assay
50022496	752	ChEMBL_2514741	Binding affinity to human HMGB2 incubated for 45 mins by Kinobead based pull down assay
50022496	753	ChEMBL_2514742	Binding affinity to human HMGB3 incubated for 45 mins by Kinobead based pull down assay
50022496	754	ChEMBL_2514744	Binding affinity to human HMOX2 incubated for 45 mins by Kinobead based pull down assay
50022496	755	ChEMBL_2514745	Binding affinity to human HNRNPA0 incubated for 45 mins by Kinobead based pull down assay
50022496	756	ChEMBL_2514747	Binding affinity to human HNRNPA2B1 incubated for 45 mins by Kinobead based pull down assay
50022496	757	ChEMBL_2514748	Binding affinity to human HNRNPA3 incubated for 45 mins by Kinobead based pull down assay
50022496	758	ChEMBL_2514749	Binding affinity to human HNRNPAB incubated for 45 mins by Kinobead based pull down assay
50022496	759	ChEMBL_2514750	Binding affinity to human HNRNPC incubated for 45 mins by Kinobead based pull down assay
50022496	760	ChEMBL_2514751	Binding affinity to human HNRNPD incubated for 45 mins by Kinobead based pull down assay
50022496	761	ChEMBL_2514752	Binding affinity to human HNRNPF incubated for 45 mins by Kinobead based pull down assay
50022496	762	ChEMBL_2514753	Binding affinity to human HNRNPH1 incubated for 45 mins by Kinobead based pull down assay
50022496	763	ChEMBL_2514754	Binding affinity to human HNRNPH3 incubated for 45 mins by Kinobead based pull down assay
50022496	764	ChEMBL_2514755	Binding affinity to human HNRNPK incubated for 45 mins by Kinobead based pull down assay
50022496	765	ChEMBL_2514756	Binding affinity to human HNRNPL incubated for 45 mins by Kinobead based pull down assay
50022496	766	ChEMBL_2514757	Binding affinity to human HNRNPLL incubated for 45 mins by Kinobead based pull down assay
50022496	767	ChEMBL_2514758	Binding affinity to human HNRNPM incubated for 45 mins by Kinobead based pull down assay
50022496	768	ChEMBL_2514759	Binding affinity to human HNRNPR incubated for 45 mins by Kinobead based pull down assay
50022496	769	ChEMBL_2514760	Binding affinity to human HNRNPU incubated for 45 mins by Kinobead based pull down assay
50022496	770	ChEMBL_2514761	Binding affinity to human HNRNPUL1 incubated for 45 mins by Kinobead based pull down assay
50022496	771	ChEMBL_2514762	Binding affinity to human HNRNPUL2 incubated for 45 mins by Kinobead based pull down assay
50022496	772	ChEMBL_2514763	Binding affinity to human HPRT1 incubated for 45 mins by Kinobead based pull down assay
50022496	773	ChEMBL_2514764	Binding affinity to human HSD17B10 incubated for 45 mins by Kinobead based pull down assay
50022496	774	ChEMBL_2514765	Binding affinity to human HSD17B12 incubated for 45 mins by Kinobead based pull down assay
50022496	775	ChEMBL_2514766	Binding affinity to human HSD17B4 incubated for 45 mins by Kinobead based pull down assay
50022496	776	ChEMBL_2514767	Binding affinity to human HSDL2 incubated for 45 mins by Kinobead based pull down assay
50022496	777	ChEMBL_2514768	Binding affinity to human HSP90AA1 incubated for 45 mins by Kinobead based pull down assay
50022496	778	ChEMBL_2514769	Binding affinity to human HSP90AB1 incubated for 45 mins by Kinobead based pull down assay
50022496	779	ChEMBL_2514770	Binding affinity to human HSP90AB2P incubated for 45 mins by Kinobead based pull down assay
50022496	780	ChEMBL_2514771	Binding affinity to human HSP90B1 incubated for 45 mins by Kinobead based pull down assay
50022496	781	ChEMBL_2514772	Binding affinity to human HSPA1B/HSPA1A incubated for 45 mins by Kinobead based pull down assay
50022496	782	ChEMBL_2514773	Binding affinity to human HSPA4 incubated for 45 mins by Kinobead based pull down assay
50022496	783	ChEMBL_2514774	Binding affinity to human HSPA4L incubated for 45 mins by Kinobead based pull down assay
50022496	784	ChEMBL_2514775	Binding affinity to human HSPA5 incubated for 45 mins by Kinobead based pull down assay
50022496	785	ChEMBL_2514777	Binding affinity to human HSPA8 incubated for 45 mins by Kinobead based pull down assay
50022496	786	ChEMBL_2514778	Binding affinity to human HSPA9 incubated for 45 mins by Kinobead based pull down assay
50022496	787	ChEMBL_2514779	Binding affinity to human HSPB1 incubated for 45 mins by Kinobead based pull down assay
50022496	788	ChEMBL_2514780	Binding affinity to human HSPD1 incubated for 45 mins by Kinobead based pull down assay
50022496	789	ChEMBL_2514781	Binding affinity to human HSPE1 incubated for 45 mins by Kinobead based pull down assay
50022496	790	ChEMBL_2514782	Binding affinity to human HSPH1 incubated for 45 mins by Kinobead based pull down assay
50022496	791	ChEMBL_2514783	Binding affinity to human HUWE1 incubated for 45 mins by Kinobead based pull down assay
50022496	792	ChEMBL_2514784	Binding affinity to human HVCN1 incubated for 45 mins by Kinobead based pull down assay
50022496	793	ChEMBL_2514785	Binding affinity to human HYOU1 incubated for 45 mins by Kinobead based pull down assay
50022496	794	ChEMBL_2514786	Binding affinity to human HYPK incubated for 45 mins by Kinobead based pull down assay
50022496	795	ChEMBL_2514787	Binding affinity to human IARS incubated for 45 mins by Kinobead based pull down assay
50022496	796	ChEMBL_2514788	Binding affinity to human IARS2 incubated for 45 mins by Kinobead based pull down assay
50022496	797	ChEMBL_2514789	Binding affinity to human ICK incubated for 45 mins by Kinobead based pull down assay
50022496	798	ChEMBL_2514790	Binding affinity to human ICMT incubated for 45 mins by Kinobead based pull down assay
50022496	799	ChEMBL_2514791	Binding affinity to human IDH1 incubated for 45 mins by Kinobead based pull down assay
50022496	800	ChEMBL_2514792	Binding affinity to human IDH2 incubated for 45 mins by Kinobead based pull down assay
50022496	801	ChEMBL_2514793	Binding affinity to human IDH3A incubated for 45 mins by Kinobead based pull down assay
50022496	802	ChEMBL_2514794	Binding affinity to human IDH3B incubated for 45 mins by Kinobead based pull down assay
50022496	803	ChEMBL_2514796	Binding affinity to human IGF1R incubated for 45 mins by Kinobead based pull down assay
50022496	804	ChEMBL_2514797	Binding affinity to human IGF2BP1 incubated for 45 mins by Kinobead based pull down assay
50022496	805	ChEMBL_2514798	Binding affinity to human IGF2BP2 incubated for 45 mins by Kinobead based pull down assay
50022496	806	ChEMBL_2514799	Binding affinity to human IGF2BP3 incubated for 45 mins by Kinobead based pull down assay
50022496	807	ChEMBL_2514800	Binding affinity to human IGF2R incubated for 45 mins by Kinobead based pull down assay
50022496	808	ChEMBL_2514801	Binding affinity to human IK incubated for 45 mins by Kinobead based pull down assay
50022496	809	ChEMBL_2514802	Binding affinity to human IKBKAP incubated for 45 mins by Kinobead based pull down assay
50022496	810	ChEMBL_2514803	Binding affinity to human IKBKE incubated for 45 mins by Kinobead based pull down assay
50022496	811	ChEMBL_2514804	Binding affinity to human ILF2 incubated for 45 mins by Kinobead based pull down assay
50022496	812	ChEMBL_2514805	Binding affinity to human ILF3 incubated for 45 mins by Kinobead based pull down assay
50022496	813	ChEMBL_2514806	Binding affinity to human ILK incubated for 45 mins by Kinobead based pull down assay
50022496	814	ChEMBL_2514807	Binding affinity to human ILVBL incubated for 45 mins by Kinobead based pull down assay
50022496	815	ChEMBL_2514808	Binding affinity to human IMMT incubated for 45 mins by Kinobead based pull down assay
50022496	816	ChEMBL_2514809	Binding affinity to human IMPA1 incubated for 45 mins by Kinobead based pull down assay
50022496	817	ChEMBL_2514810	Binding affinity to human IMPDH2 incubated for 45 mins by Kinobead based pull down assay
50022496	818	ChEMBL_2514811	Binding affinity to human INA incubated for 45 mins by Kinobead based pull down assay
50022496	819	ChEMBL_2514812	Binding affinity to human INCENP incubated for 45 mins by Kinobead based pull down assay
50022496	820	ChEMBL_2514813	Binding affinity to human INF2 incubated for 45 mins by Kinobead based pull down assay
50022496	821	ChEMBL_2514814	Binding affinity to human INPPL1 incubated for 45 mins by Kinobead based pull down assay
50022496	822	ChEMBL_2514815	Binding affinity to human INSR incubated for 45 mins by Kinobead based pull down assay
50022496	823	ChEMBL_2514816	Binding affinity to human IPO11 incubated for 45 mins by Kinobead based pull down assay
50022496	824	ChEMBL_2514817	Binding affinity to human IPO4 incubated for 45 mins by Kinobead based pull down assay
50022496	825	ChEMBL_2514818	Binding affinity to human IPO5 incubated for 45 mins by Kinobead based pull down assay
50022496	826	ChEMBL_2514819	Binding affinity to human IPO7 incubated for 45 mins by Kinobead based pull down assay
50022496	827	ChEMBL_2514820	Binding affinity to human IPO8 incubated for 45 mins by Kinobead based pull down assay
50022496	828	ChEMBL_2514821	Binding affinity to human IPO9 incubated for 45 mins by Kinobead based pull down assay
50022496	829	ChEMBL_2514822	Binding affinity to human IQGAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	830	ChEMBL_2514823	Binding affinity to human IRAK1 incubated for 45 mins by Kinobead based pull down assay
50022496	831	ChEMBL_2514824	Binding affinity to human IRAK3 incubated for 45 mins by Kinobead based pull down assay
50022496	832	ChEMBL_2514825	Binding affinity to human IRAK4 incubated for 45 mins by Kinobead based pull down assay
50022496	833	ChEMBL_2514826	Binding affinity to human IRF2BP2 incubated for 45 mins by Kinobead based pull down assay
50022496	834	ChEMBL_2514827	Binding affinity to human ITCH incubated for 45 mins by Kinobead based pull down assay
50022496	835	ChEMBL_2514828	Binding affinity to human LMNB1 incubated for 45 mins by Kinobead based pull down assay
50022496	836	ChEMBL_2514829	Binding affinity to human LMNA incubated for 45 mins by Kinobead based pull down assay
50022496	837	ChEMBL_2514830	Binding affinity to human ITGA6 incubated for 45 mins by Kinobead based pull down assay
50022496	838	ChEMBL_2514831	Binding affinity to human ITGB1 incubated for 45 mins by Kinobead based pull down assay
50022496	839	ChEMBL_2514832	Binding affinity to human ITGB2 incubated for 45 mins by Kinobead based pull down assay
50022496	840	ChEMBL_2514833	Binding affinity to human ITGB4 incubated for 45 mins by Kinobead based pull down assay
50022496	841	ChEMBL_2514834	Binding affinity to human ITGB6 incubated for 45 mins by Kinobead based pull down assay
50022496	842	ChEMBL_2514835	Binding affinity to human ITPA incubated for 45 mins by Kinobead based pull down assay
50022496	843	ChEMBL_2514836	Binding affinity to human JAK1 incubated for 45 mins by Kinobead based pull down assay
50022496	844	ChEMBL_2514837	Binding affinity to human JUP incubated for 45 mins by Kinobead based pull down assay
50022496	845	ChEMBL_2514838	Binding affinity to human KARS incubated for 45 mins by Kinobead based pull down assay
50022496	846	ChEMBL_2514839	Binding affinity to human KATNAL2 incubated for 45 mins by Kinobead based pull down assay
50022496	847	ChEMBL_2514840	Binding affinity to human KDELR1 incubated for 45 mins by Kinobead based pull down assay
50022496	848	ChEMBL_2514841	Binding affinity to human KDELR2 incubated for 45 mins by Kinobead based pull down assay
50022496	849	ChEMBL_2514842	Binding affinity to human KHDRBS1 incubated for 45 mins by Kinobead based pull down assay
50022496	850	ChEMBL_2514843	Binding affinity to human KHSRP incubated for 45 mins by Kinobead based pull down assay
50022496	851	ChEMBL_2514844	Binding affinity to human KIAA0195 incubated for 45 mins by Kinobead based pull down assay
50022496	852	ChEMBL_2514845	Binding affinity to human KIAA0196 incubated for 45 mins by Kinobead based pull down assay
50022496	853	ChEMBL_2514846	Binding affinity to human KIAA1524 incubated for 45 mins by Kinobead based pull down assay
50022496	854	ChEMBL_2514847	Binding affinity to human KIF5B incubated for 45 mins by Kinobead based pull down assay
50022496	855	ChEMBL_2514848	Binding affinity to human KIFC1 incubated for 45 mins by Kinobead based pull down assay
50022496	856	ChEMBL_2514849	Binding affinity to human KNTC1 incubated for 45 mins by Kinobead based pull down assay
50022496	857	ChEMBL_2514850	Binding affinity to human KPNA2 incubated for 45 mins by Kinobead based pull down assay
50022496	858	ChEMBL_2514851	Binding affinity to human KPNB1 incubated for 45 mins by Kinobead based pull down assay
50022496	859	ChEMBL_2514852	Binding affinity to human KRT18 incubated for 45 mins by Kinobead based pull down assay
50022496	860	ChEMBL_2514853	Binding affinity to human KRTCAP2 incubated for 45 mins by Kinobead based pull down assay
50022496	861	ChEMBL_2514854	Binding affinity to human KTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	862	ChEMBL_2514855	Binding affinity to human L1CAM incubated for 45 mins by Kinobead based pull down assay
50022496	863	ChEMBL_2514856	Binding affinity to human LAGE3 incubated for 45 mins by Kinobead based pull down assay
50022496	864	ChEMBL_2514857	Binding affinity to human LAMP1 incubated for 45 mins by Kinobead based pull down assay
50022496	865	ChEMBL_2514858	Binding affinity to human LAMP2 incubated for 45 mins by Kinobead based pull down assay
50022496	866	ChEMBL_2514859	Binding affinity to human LANCL1 incubated for 45 mins by Kinobead based pull down assay
50022496	867	ChEMBL_2514860	Binding affinity to human LARP1 incubated for 45 mins by Kinobead based pull down assay
50022496	868	ChEMBL_2514861	Binding affinity to human LARS incubated for 45 mins by Kinobead based pull down assay
50022496	869	ChEMBL_2514862	Binding affinity to human LASP1 incubated for 45 mins by Kinobead based pull down assay
50022496	870	ChEMBL_2514863	Binding affinity to human LATS1 incubated for 45 mins by Kinobead based pull down assay
50022496	871	ChEMBL_2514864	Binding affinity to human LBR incubated for 45 mins by Kinobead based pull down assay
50022496	872	ChEMBL_2514865	Binding affinity to human LCK incubated for 45 mins by Kinobead based pull down assay
50022496	873	ChEMBL_2514866	Binding affinity to human LCP1 incubated for 45 mins by Kinobead based pull down assay
50022496	874	ChEMBL_2514867	Binding affinity to human LDHA incubated for 45 mins by Kinobead based pull down assay
50022496	875	ChEMBL_2514868	Binding affinity to human LDHB incubated for 45 mins by Kinobead based pull down assay
50022496	876	ChEMBL_2514869	Binding affinity to human LETM1 incubated for 45 mins by Kinobead based pull down assay
50022496	877	ChEMBL_2514870	Binding affinity to human LGALS1 incubated for 45 mins by Kinobead based pull down assay
50022496	878	ChEMBL_2514871	Binding affinity to human LGALS3BP incubated for 45 mins by Kinobead based pull down assay
50022496	879	ChEMBL_2514872	Binding affinity to human LGALS4 incubated for 45 mins by Kinobead based pull down assay
50022496	880	ChEMBL_2514873	Binding affinity to human LIG3 incubated for 45 mins by Kinobead based pull down assay
50022496	881	ChEMBL_2514874	Binding affinity to human LIMK1 incubated for 45 mins by Kinobead based pull down assay
50022496	882	ChEMBL_2514875	Binding affinity to human LIMK2 incubated for 45 mins by Kinobead based pull down assay
50022496	883	ChEMBL_2514876	Binding affinity to human LIMS1 incubated for 45 mins by Kinobead based pull down assay
50022496	884	ChEMBL_2514877	Binding affinity to human LMAN1 incubated for 45 mins by Kinobead based pull down assay
50022496	885	ChEMBL_2514878	Binding affinity to human LMAN2 incubated for 45 mins by Kinobead based pull down assay
50022496	886	ChEMBL_2514879	Binding affinity to human LMNB2 incubated for 45 mins by Kinobead based pull down assay
50022496	887	ChEMBL_2514880	Binding affinity to human LNP incubated for 45 mins by Kinobead based pull down assay
50022496	888	ChEMBL_2514881	Binding affinity to human LNPEP incubated for 45 mins by Kinobead based pull down assay
50022496	889	ChEMBL_2514882	Binding affinity to human LONP1 incubated for 45 mins by Kinobead based pull down assay
50022496	890	ChEMBL_2514883	Binding affinity to human LPCAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	891	ChEMBL_2514884	Binding affinity to human LPCAT3 incubated for 45 mins by Kinobead based pull down assay
50022496	892	ChEMBL_2514885	Binding affinity to human LPXN incubated for 45 mins by Kinobead based pull down assay
50022496	893	ChEMBL_2514886	Binding affinity to human LRBA incubated for 45 mins by Kinobead based pull down assay
50022496	894	ChEMBL_2514887	Binding affinity to human LRPPRC incubated for 45 mins by Kinobead based pull down assay
50022496	895	ChEMBL_2514888	Binding affinity to human LRRC47 incubated for 45 mins by Kinobead based pull down assay
50022496	896	ChEMBL_2514889	Binding affinity to human LRRC59 incubated for 45 mins by Kinobead based pull down assay
50022496	897	ChEMBL_2514890	Binding affinity to human LRRFIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	898	ChEMBL_2514891	Binding affinity to human LSG1 incubated for 45 mins by Kinobead based pull down assay
50022496	899	ChEMBL_2514892	Binding affinity to human LSM12 incubated for 45 mins by Kinobead based pull down assay
50022496	900	ChEMBL_2514893	Binding affinity to human LSM14A incubated for 45 mins by Kinobead based pull down assay
50022496	901	ChEMBL_2514894	Binding affinity to human LSM8 incubated for 45 mins by Kinobead based pull down assay
50022496	902	ChEMBL_2514895	Binding affinity to human LTA4H incubated for 45 mins by Kinobead based pull down assay
50022496	903	ChEMBL_2514896	Binding affinity to human LTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	904	ChEMBL_2514897	Binding affinity to human LUC7L2 incubated for 45 mins by Kinobead based pull down assay
50022496	905	ChEMBL_2514898	Binding affinity to human LYN incubated for 45 mins by Kinobead based pull down assay
50022496	906	ChEMBL_2514899	Binding affinity to human LYPLA1 incubated for 45 mins by Kinobead based pull down assay
50022496	907	ChEMBL_2514900	Binding affinity to human LYPLA2 incubated for 45 mins by Kinobead based pull down assay
50022496	908	ChEMBL_2514901	Binding affinity to human MACF1 incubated for 45 mins by Kinobead based pull down assay
50022496	909	ChEMBL_2514903	Binding affinity to human MAGT1 incubated for 45 mins by Kinobead based pull down assay
50022496	910	ChEMBL_2514904	Binding affinity to human MAL2 incubated for 45 mins by Kinobead based pull down assay
50022496	911	ChEMBL_2514905	Binding affinity to human MAP1B incubated for 45 mins by Kinobead based pull down assay
50022496	912	ChEMBL_2514906	Binding affinity to human MAP2K1 incubated for 45 mins by Kinobead based pull down assay
50022496	913	ChEMBL_2514907	Binding affinity to human MAP2K2 incubated for 45 mins by Kinobead based pull down assay
50022496	914	ChEMBL_2514908	Binding affinity to human MAP2K3 incubated for 45 mins by Kinobead based pull down assay
50022496	915	ChEMBL_2514909	Binding affinity to human MAP2K5 incubated for 45 mins by Kinobead based pull down assay
50022496	916	ChEMBL_2514910	Binding affinity to human MAP2K6 incubated for 45 mins by Kinobead based pull down assay
50022496	917	ChEMBL_2514911	Binding affinity to human MAP3K1 incubated for 45 mins by Kinobead based pull down assay
50022496	918	ChEMBL_2514912	Binding affinity to human MAP3K11 incubated for 45 mins by Kinobead based pull down assay
50022496	919	ChEMBL_2514913	Binding affinity to human MAP3K2 incubated for 45 mins by Kinobead based pull down assay
50022496	920	ChEMBL_2514914	Binding affinity to human MAP3K3 incubated for 45 mins by Kinobead based pull down assay
50022496	921	ChEMBL_2514915	Binding affinity to human MAP3K4 incubated for 45 mins by Kinobead based pull down assay
50022496	922	ChEMBL_2514916	Binding affinity to human MAP3K5 incubated for 45 mins by Kinobead based pull down assay
50022496	923	ChEMBL_2514917	Binding affinity to human MAP3K6 incubated for 45 mins by Kinobead based pull down assay
50022496	924	ChEMBL_2514918	Binding affinity to human MAP4 incubated for 45 mins by Kinobead based pull down assay
50022496	925	ChEMBL_2514919	Binding affinity to human MAP4K1 incubated for 45 mins by Kinobead based pull down assay
50022496	926	ChEMBL_2514920	Binding affinity to human MAP4K2 incubated for 45 mins by Kinobead based pull down assay
50022496	927	ChEMBL_2514921	Binding affinity to human MAP4K3 incubated for 45 mins by Kinobead based pull down assay
50022496	928	ChEMBL_2514922	Binding affinity to human MAP4K4 incubated for 45 mins by Kinobead based pull down assay
50022496	929	ChEMBL_2514923	Binding affinity to human MAP4K5 incubated for 45 mins by Kinobead based pull down assay
50022496	930	ChEMBL_2514924	Binding affinity to human MAP7 incubated for 45 mins by Kinobead based pull down assay
50022496	931	ChEMBL_2514925	Binding affinity to human MAPK1 incubated for 45 mins by Kinobead based pull down assay
50022496	932	ChEMBL_2514926	Binding affinity to human MAPK10 incubated for 45 mins by Kinobead based pull down assay
50022496	933	ChEMBL_2514927	Binding affinity to human MAPK11 incubated for 45 mins by Kinobead based pull down assay
50022496	934	ChEMBL_2514928	Binding affinity to human MAPK14 incubated for 45 mins by Kinobead based pull down assay
50022496	935	ChEMBL_2514929	Binding affinity to human MAPK15 incubated for 45 mins by Kinobead based pull down assay
50022496	936	ChEMBL_2514930	Binding affinity to human MAPK3 incubated for 45 mins by Kinobead based pull down assay
50022496	937	ChEMBL_2514932	Binding affinity to human MAPK7 incubated for 45 mins by Kinobead based pull down assay
50022496	938	ChEMBL_2514933	Binding affinity to human MAPK8 incubated for 45 mins by Kinobead based pull down assay
50022496	939	ChEMBL_2514934	Binding affinity to human MAPK9 incubated for 45 mins by Kinobead based pull down assay
50022496	940	ChEMBL_2514935	Binding affinity to human MAPKAPK2 incubated for 45 mins by Kinobead based pull down assay
50022496	941	ChEMBL_2514936	Binding affinity to human MAPKAPK5 incubated for 45 mins by Kinobead based pull down assay
50022496	942	ChEMBL_2514937	Binding affinity to human MAPRE1 incubated for 45 mins by Kinobead based pull down assay
50022496	943	ChEMBL_2514938	Binding affinity to human MAPRE2 incubated for 45 mins by Kinobead based pull down assay
50022496	944	ChEMBL_2514939	Binding affinity to human MARCKS incubated for 45 mins by Kinobead based pull down assay
50022496	945	ChEMBL_2514940	Binding affinity to human MARK2 incubated for 45 mins by Kinobead based pull down assay
50022496	946	ChEMBL_2514941	Binding affinity to human MARK3 incubated for 45 mins by Kinobead based pull down assay
50022496	947	ChEMBL_2514942	Binding affinity to human MARK4 incubated for 45 mins by Kinobead based pull down assay
50022496	948	ChEMBL_2514943	Binding affinity to human MARS incubated for 45 mins by Kinobead based pull down assay
50022496	949	ChEMBL_2514944	Binding affinity to human MAT2A incubated for 45 mins by Kinobead based pull down assay
50022496	950	ChEMBL_2514945	Binding affinity to human MAT2B incubated for 45 mins by Kinobead based pull down assay
50022496	951	ChEMBL_2514946	Binding affinity to human MATR3 incubated for 45 mins by Kinobead based pull down assay
50022496	952	ChEMBL_2514947	Binding affinity to human MAVS incubated for 45 mins by Kinobead based pull down assay
50022496	953	ChEMBL_2514949	Binding affinity to human KPNA4 incubated for 45 mins by Kinobead based pull down assay
50022496	954	ChEMBL_2514950	Binding affinity to human MBOAT7 incubated for 45 mins by Kinobead based pull down assay
50022496	955	ChEMBL_2514951	Binding affinity to human MCCC2 incubated for 45 mins by Kinobead based pull down assay
50022496	956	ChEMBL_2514952	Binding affinity to human MCM2 incubated for 45 mins by Kinobead based pull down assay
50022496	957	ChEMBL_2514953	Binding affinity to human MCM3 incubated for 45 mins by Kinobead based pull down assay
50022496	958	ChEMBL_2514954	Binding affinity to human MCM4 incubated for 45 mins by Kinobead based pull down assay
50022496	959	ChEMBL_2514955	Binding affinity to human MCM5 incubated for 45 mins by Kinobead based pull down assay
50022496	960	ChEMBL_2514956	Binding affinity to human MCM6 incubated for 45 mins by Kinobead based pull down assay
50022496	961	ChEMBL_2514957	Binding affinity to human MCM7 incubated for 45 mins by Kinobead based pull down assay
50022496	962	ChEMBL_2514958	Binding affinity to human MCU incubated for 45 mins by Kinobead based pull down assay
50022496	963	ChEMBL_2514959	Binding affinity to human MDH1 incubated for 45 mins by Kinobead based pull down assay
50022496	964	ChEMBL_2514960	Binding affinity to human MDH2 incubated for 45 mins by Kinobead based pull down assay
50022496	965	ChEMBL_2514961	Binding affinity to human MDN1 incubated for 45 mins by Kinobead based pull down assay
50022496	966	ChEMBL_2514962	Binding affinity to human ME2 incubated for 45 mins by Kinobead based pull down assay
50022496	967	ChEMBL_2514963	Binding affinity to human MED23 incubated for 45 mins by Kinobead based pull down assay
50022496	968	ChEMBL_2514964	Binding affinity to human MELK incubated for 45 mins by Kinobead based pull down assay
50022496	969	ChEMBL_2514965	Binding affinity to human MERTK incubated for 45 mins by Kinobead based pull down assay
50022496	970	ChEMBL_2514966	Binding affinity to human MET incubated for 45 mins by Kinobead based pull down assay
50022496	971	ChEMBL_2514967	Binding affinity to human METTL7A incubated for 45 mins by Kinobead based pull down assay
50022496	972	ChEMBL_2514968	Binding affinity to human MFSD10 incubated for 45 mins by Kinobead based pull down assay
50022496	973	ChEMBL_2514969	Binding affinity to human MGST1 incubated for 45 mins by Kinobead based pull down assay
50022496	974	ChEMBL_2514970	Binding affinity to human MGST3 incubated for 45 mins by Kinobead based pull down assay
50022496	975	ChEMBL_2514971	Binding affinity to human MIA3 incubated for 45 mins by Kinobead based pull down assay
50022496	976	ChEMBL_2514972	Binding affinity to human MIF incubated for 45 mins by Kinobead based pull down assay
50022496	977	ChEMBL_2514973	Binding affinity to human MINK1 incubated for 45 mins by Kinobead based pull down assay
50022496	978	ChEMBL_2514974	Binding affinity to human MKI67 incubated for 45 mins by Kinobead based pull down assay
50022496	979	ChEMBL_2514975	Binding affinity to human MKRN3 incubated for 45 mins by Kinobead based pull down assay
50022496	980	ChEMBL_2514976	Binding affinity to human MLEC incubated for 45 mins by Kinobead based pull down assay
50022496	981	ChEMBL_2514977	Binding affinity to human MLLT1 incubated for 45 mins by Kinobead based pull down assay
50022496	982	ChEMBL_2514978	Binding affinity to human MLST8 incubated for 45 mins by Kinobead based pull down assay
50022496	983	ChEMBL_2514979	Binding affinity to human MMAB incubated for 45 mins by Kinobead based pull down assay
50022496	984	ChEMBL_2514980	Binding affinity to human MMGT1 incubated for 45 mins by Kinobead based pull down assay
50022496	985	ChEMBL_2514981	Binding affinity to human MMS19 incubated for 45 mins by Kinobead based pull down assay
50022496	986	ChEMBL_2514982	Binding affinity to human MNAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	987	ChEMBL_2514983	Binding affinity to human MNS1 incubated for 45 mins by Kinobead based pull down assay
50022496	988	ChEMBL_2514985	Binding affinity to human MON2 incubated for 45 mins by Kinobead based pull down assay
50022496	989	ChEMBL_2514986	Binding affinity to human MPDU1 incubated for 45 mins by Kinobead based pull down assay
50022496	990	ChEMBL_2514987	Binding affinity to human MPHOSPH6 incubated for 45 mins by Kinobead based pull down assay
50022496	991	ChEMBL_2514988	Binding affinity to human MPST incubated for 45 mins by Kinobead based pull down assay
50022496	992	ChEMBL_2514989	Binding affinity to human MRE11A incubated for 45 mins by Kinobead based pull down assay
50022496	993	ChEMBL_2514990	Binding affinity to human MRM1 incubated for 45 mins by Kinobead based pull down assay
50022496	994	ChEMBL_2514991	Binding affinity to human MRPL11 incubated for 45 mins by Kinobead based pull down assay
50022496	995	ChEMBL_2514992	Binding affinity to human MRPL12 incubated for 45 mins by Kinobead based pull down assay
50022496	996	ChEMBL_2514993	Binding affinity to human MRPL19 incubated for 45 mins by Kinobead based pull down assay
50022496	997	ChEMBL_2514994	Binding affinity to human MRPL37 incubated for 45 mins by Kinobead based pull down assay
50022496	998	ChEMBL_2514995	Binding affinity to human MRPL38 incubated for 45 mins by Kinobead based pull down assay
50022496	999	ChEMBL_2514996	Binding affinity to human MRPS17 incubated for 45 mins by Kinobead based pull down assay
50022496	1000	ChEMBL_2514997	Binding affinity to human MRPS18A incubated for 45 mins by Kinobead based pull down assay
50022496	1001	ChEMBL_2514998	Binding affinity to human MRPS22 incubated for 45 mins by Kinobead based pull down assay
50022496	1002	ChEMBL_2514999	Binding affinity to human MRPS23 incubated for 45 mins by Kinobead based pull down assay
50022496	1003	ChEMBL_2515000	Binding affinity to human MRPS24 incubated for 45 mins by Kinobead based pull down assay
50022496	1004	ChEMBL_2515001	Binding affinity to human MRPS27 incubated for 45 mins by Kinobead based pull down assay
50022496	1005	ChEMBL_2515002	Binding affinity to human MRPS35 incubated for 45 mins by Kinobead based pull down assay
50022496	1006	ChEMBL_2515003	Binding affinity to human MRPS7 incubated for 45 mins by Kinobead based pull down assay
50022496	1007	ChEMBL_2515004	Binding affinity to human MRPS9 incubated for 45 mins by Kinobead based pull down assay
50022496	1008	ChEMBL_2515005	Binding affinity to human MRTO4 incubated for 45 mins by Kinobead based pull down assay
50022496	1009	ChEMBL_2515006	Binding affinity to human MSH2 incubated for 45 mins by Kinobead based pull down assay
50022496	1010	ChEMBL_2515007	Binding affinity to human MSH6 incubated for 45 mins by Kinobead based pull down assay
50022496	1011	ChEMBL_2515008	Binding affinity to human MSMO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1012	ChEMBL_2515009	Binding affinity to human MSN incubated for 45 mins by Kinobead based pull down assay
50022496	1013	ChEMBL_2515010	Binding affinity to human MST1R incubated for 45 mins by Kinobead based pull down assay
50022496	1014	ChEMBL_2515011	Binding affinity to human MT-ATP6 incubated for 45 mins by Kinobead based pull down assay
50022496	1015	ChEMBL_2515012	Binding affinity to human MTCH2 incubated for 45 mins by Kinobead based pull down assay
50022496	1016	ChEMBL_2515013	Binding affinity to human MT-CO2 incubated for 45 mins by Kinobead based pull down assay
50022496	1017	ChEMBL_2515014	Binding affinity to human MT-CO3 incubated for 45 mins by Kinobead based pull down assay
50022496	1018	ChEMBL_2515015	Binding affinity to human MTDH incubated for 45 mins by Kinobead based pull down assay
50022496	1019	ChEMBL_2515016	Binding affinity to human MTHFD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1020	ChEMBL_2515017	Binding affinity to human MT-ND1 incubated for 45 mins by Kinobead based pull down assay
50022496	1021	ChEMBL_2515018	Binding affinity to human MT-ND4 incubated for 45 mins by Kinobead based pull down assay
50022496	1022	ChEMBL_2515019	Binding affinity to human MTOR incubated for 45 mins by Kinobead based pull down assay
50022496	1023	ChEMBL_2515020	Binding affinity to human MTPN incubated for 45 mins by Kinobead based pull down assay
50022496	1024	ChEMBL_2515021	Binding affinity to human MTX1 incubated for 45 mins by Kinobead based pull down assay
50022496	1025	ChEMBL_2515022	Binding affinity to human MTX2 incubated for 45 mins by Kinobead based pull down assay
50022496	1026	ChEMBL_2515023	Binding affinity to human MYADM incubated for 45 mins by Kinobead based pull down assay
50022496	1027	ChEMBL_2515024	Binding affinity to human MYBBP1A incubated for 45 mins by Kinobead based pull down assay
50022496	1028	ChEMBL_2515025	Binding affinity to human MYCBP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1029	ChEMBL_2515026	Binding affinity to human MYH10 incubated for 45 mins by Kinobead based pull down assay
50022496	1030	ChEMBL_2515027	Binding affinity to human MYH9 incubated for 45 mins by Kinobead based pull down assay
50022496	1031	ChEMBL_2515030	Binding affinity to human MYL4 incubated for 45 mins by Kinobead based pull down assay
50022496	1032	ChEMBL_2515031	Binding affinity to human MYL6 incubated for 45 mins by Kinobead based pull down assay
50022496	1033	ChEMBL_2515032	Binding affinity to human MYLK incubated for 45 mins by Kinobead based pull down assay
50022496	1034	ChEMBL_2515033	Binding affinity to human MYLK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1035	ChEMBL_2515034	Binding affinity to human MYO1B incubated for 45 mins by Kinobead based pull down assay
50022496	1036	ChEMBL_2515035	Binding affinity to human MYO1F incubated for 45 mins by Kinobead based pull down assay
50022496	1037	ChEMBL_2515036	Binding affinity to human NAA10 incubated for 45 mins by Kinobead based pull down assay
50022496	1038	ChEMBL_2515037	Binding affinity to human NAA15 incubated for 45 mins by Kinobead based pull down assay
50022496	1039	ChEMBL_2515038	Binding affinity to human NAA50 incubated for 45 mins by Kinobead based pull down assay
50022496	1040	ChEMBL_2515039	Binding affinity to human NACA incubated for 45 mins by Kinobead based pull down assay
50022496	1041	ChEMBL_2515040	Binding affinity to human NAMPT incubated for 45 mins by Kinobead based pull down assay
50022496	1042	ChEMBL_2515041	Binding affinity to human NANS incubated for 45 mins by Kinobead based pull down assay
50022496	1043	ChEMBL_2515042	Binding affinity to human NAP1L1 incubated for 45 mins by Kinobead based pull down assay
50022496	1044	ChEMBL_2515043	Binding affinity to human NAP1L4 incubated for 45 mins by Kinobead based pull down assay
50022496	1045	ChEMBL_2515044	Binding affinity to human NAPA incubated for 45 mins by Kinobead based pull down assay
50022496	1046	ChEMBL_2515045	Binding affinity to human NAPRT incubated for 45 mins by Kinobead based pull down assay
50022496	1047	ChEMBL_2515046	Binding affinity to human NARS incubated for 45 mins by Kinobead based pull down assay
50022496	1048	ChEMBL_2515047	Binding affinity to human NASP incubated for 45 mins by Kinobead based pull down assay
50022496	1049	ChEMBL_2515048	Binding affinity to human NAT10 incubated for 45 mins by Kinobead based pull down assay
50022496	1050	ChEMBL_2515049	Binding affinity to human NBAS incubated for 45 mins by Kinobead based pull down assay
50022496	1051	ChEMBL_2515050	Binding affinity to human NCAPD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1052	ChEMBL_2515051	Binding affinity to human NCAPH incubated for 45 mins by Kinobead based pull down assay
50022496	1053	ChEMBL_2515052	Binding affinity to human NCBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1054	ChEMBL_2515053	Binding affinity to human NCDN incubated for 45 mins by Kinobead based pull down assay
50022496	1055	ChEMBL_2515054	Binding affinity to human NCKAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1056	ChEMBL_2515055	Binding affinity to human NCKAP1L incubated for 45 mins by Kinobead based pull down assay
50022496	1057	ChEMBL_2515056	Binding affinity to human NCL incubated for 45 mins by Kinobead based pull down assay
50022496	1058	ChEMBL_2515057	Binding affinity to human NCLN incubated for 45 mins by Kinobead based pull down assay
50022496	1059	ChEMBL_2515058	Binding affinity to human NCSTN incubated for 45 mins by Kinobead based pull down assay
50022496	1060	ChEMBL_2515059	Binding affinity to human NDC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1061	ChEMBL_2515060	Binding affinity to human NDUFA10 incubated for 45 mins by Kinobead based pull down assay
50022496	1062	ChEMBL_2515061	Binding affinity to human NDUFA13 incubated for 45 mins by Kinobead based pull down assay
50022496	1063	ChEMBL_2515062	Binding affinity to human NDUFA4 incubated for 45 mins by Kinobead based pull down assay
50022496	1064	ChEMBL_2515063	Binding affinity to human NDUFA5 incubated for 45 mins by Kinobead based pull down assay
50022496	1065	ChEMBL_2515064	Binding affinity to human NDUFAB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1066	ChEMBL_2515065	Binding affinity to human NDUFAF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1067	ChEMBL_2515066	Binding affinity to human NDUFAF4 incubated for 45 mins by Kinobead based pull down assay
50022496	1068	ChEMBL_2515067	Binding affinity to human NDUFB10 incubated for 45 mins by Kinobead based pull down assay
50022496	1069	ChEMBL_2515068	Binding affinity to human NDUFB5 incubated for 45 mins by Kinobead based pull down assay
50022496	1070	ChEMBL_2515069	Binding affinity to human NDUFB6 incubated for 45 mins by Kinobead based pull down assay
50022496	1071	ChEMBL_2515070	Binding affinity to human NDUFB7 incubated for 45 mins by Kinobead based pull down assay
50022496	1072	ChEMBL_2515071	Binding affinity to human NDUFB8 incubated for 45 mins by Kinobead based pull down assay
50022496	1073	ChEMBL_2515072	Binding affinity to human NDUFB9 incubated for 45 mins by Kinobead based pull down assay
50022496	1074	ChEMBL_2515074	Binding affinity to human NDUFS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1075	ChEMBL_2515075	Binding affinity to human NDUFS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1076	ChEMBL_2515076	Binding affinity to human NDUFS3 incubated for 45 mins by Kinobead based pull down assay
50022496	1077	ChEMBL_2515077	Binding affinity to human NDUFS6 incubated for 45 mins by Kinobead based pull down assay
50022496	1078	ChEMBL_2515078	Binding affinity to human NDUFS7 incubated for 45 mins by Kinobead based pull down assay
50022496	1079	ChEMBL_2515079	Binding affinity to human NDUFV1 incubated for 45 mins by Kinobead based pull down assay
50022496	1080	ChEMBL_2515080	Binding affinity to human NEDD8 incubated for 45 mins by Kinobead based pull down assay
50022496	1081	ChEMBL_2515081	Binding affinity to human NEFM incubated for 45 mins by Kinobead based pull down assay
50022496	1082	ChEMBL_2515082	Binding affinity to human NEK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1083	ChEMBL_2515083	Binding affinity to human NEK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1084	ChEMBL_2515084	Binding affinity to human NEK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1085	ChEMBL_2515085	Binding affinity to human NEK7 incubated for 45 mins by Kinobead based pull down assay
50022496	1086	ChEMBL_2515086	Binding affinity to human NEK9 incubated for 45 mins by Kinobead based pull down assay
50022496	1087	ChEMBL_2515087	Binding affinity to human NES incubated for 45 mins by Kinobead based pull down assay
50022496	1088	ChEMBL_2515088	Binding affinity to human NFXL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1089	ChEMBL_2515089	Binding affinity to human NHP2L1 incubated for 45 mins by Kinobead based pull down assay
50022496	1090	ChEMBL_2515090	Binding affinity to human NIPSNAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1091	ChEMBL_2515091	Binding affinity to human NIPSNAP3A incubated for 45 mins by Kinobead based pull down assay
50022496	1092	ChEMBL_2515092	Binding affinity to human NIT2 incubated for 45 mins by Kinobead based pull down assay
50022496	1093	ChEMBL_2515093	Binding affinity to human NLK incubated for 45 mins by Kinobead based pull down assay
50022496	1094	ChEMBL_2515094	Binding affinity to human NLN incubated for 45 mins by Kinobead based pull down assay
50022496	1095	ChEMBL_2515095	Binding affinity to human NME1 incubated for 45 mins by Kinobead based pull down assay
50022496	1096	ChEMBL_2515097	Binding affinity to human NMT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1097	ChEMBL_2515098	Binding affinity to human NNT incubated for 45 mins by Kinobead based pull down assay
50022496	1098	ChEMBL_2515099	Binding affinity to human NOC2L incubated for 45 mins by Kinobead based pull down assay
50022496	1099	ChEMBL_2515100	Binding affinity to human NOLC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1100	ChEMBL_2515102	Binding affinity to human NONO incubated for 45 mins by Kinobead based pull down assay
50022496	1101	ChEMBL_2515103	Binding affinity to human NOP10 incubated for 45 mins by Kinobead based pull down assay
50022496	1102	ChEMBL_2515104	Binding affinity to human NOP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1103	ChEMBL_2515105	Binding affinity to human NOP56 incubated for 45 mins by Kinobead based pull down assay
50022496	1104	ChEMBL_2515106	Binding affinity to human NPEPPS incubated for 45 mins by Kinobead based pull down assay
50022496	1105	ChEMBL_2515107	Binding affinity to human NPM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1106	ChEMBL_2515108	Binding affinity to human NQO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1107	ChEMBL_2515109	Binding affinity to human NQO2 incubated for 45 mins by Kinobead based pull down assay
50022496	1108	ChEMBL_2515110	Binding affinity to human NRD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1109	ChEMBL_2515111	Binding affinity to human NSF incubated for 45 mins by Kinobead based pull down assay
50022496	1110	ChEMBL_2515112	Binding affinity to human NSFL1C incubated for 45 mins by Kinobead based pull down assay
50022496	1111	ChEMBL_2515113	Binding affinity to human NSUN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1112	ChEMBL_2515114	Binding affinity to human NT5DC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1113	ChEMBL_2515115	Binding affinity to human NTPCR incubated for 45 mins by Kinobead based pull down assay
50022496	1114	ChEMBL_2515116	Binding affinity to human NTRK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1115	ChEMBL_2515117	Binding affinity to human NUAK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1116	ChEMBL_2515118	Binding affinity to human NUCB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1117	ChEMBL_2515119	Binding affinity to human NUDC incubated for 45 mins by Kinobead based pull down assay
50022496	1118	ChEMBL_2515120	Binding affinity to human NUDT21 incubated for 45 mins by Kinobead based pull down assay
50022496	1119	ChEMBL_2515121	Binding affinity to human NUDT5 incubated for 45 mins by Kinobead based pull down assay
50022496	1120	ChEMBL_2515122	Binding affinity to human NUMA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1121	ChEMBL_2515123	Binding affinity to human NUP155 incubated for 45 mins by Kinobead based pull down assay
50022496	1122	ChEMBL_2515124	Binding affinity to human NUP160 incubated for 45 mins by Kinobead based pull down assay
50022496	1123	ChEMBL_2515125	Binding affinity to human NUP188 incubated for 45 mins by Kinobead based pull down assay
50022496	1124	ChEMBL_2515126	Binding affinity to human NUP205 incubated for 45 mins by Kinobead based pull down assay
50022496	1125	ChEMBL_2515127	Binding affinity to human NUP210 incubated for 45 mins by Kinobead based pull down assay
50022496	1126	ChEMBL_2515128	Binding affinity to human NUP50 incubated for 45 mins by Kinobead based pull down assay
50022496	1127	ChEMBL_2515129	Binding affinity to human NUP93 incubated for 45 mins by Kinobead based pull down assay
50022496	1128	ChEMBL_2515130	Binding affinity to human NUTF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1129	ChEMBL_2515131	Binding affinity to human NXF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1130	ChEMBL_2515132	Binding affinity to human OCIAD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1131	ChEMBL_2515133	Binding affinity to human OGDH incubated for 45 mins by Kinobead based pull down assay
50022496	1132	ChEMBL_2515134	Binding affinity to human OGFR incubated for 45 mins by Kinobead based pull down assay
50022496	1133	ChEMBL_2515135	Binding affinity to human OLA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1134	ChEMBL_2515136	Binding affinity to human OPA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1135	ChEMBL_2515137	Binding affinity to human OR10J3 incubated for 45 mins by Kinobead based pull down assay
50022496	1136	ChEMBL_2515138	Binding affinity to human ORMDL3 incubated for 45 mins by Kinobead based pull down assay
50022496	1137	ChEMBL_2515139	Binding affinity to human OSBPL3 incubated for 45 mins by Kinobead based pull down assay
50022496	1138	ChEMBL_2515140	Binding affinity to human OSBPL8 incubated for 45 mins by Kinobead based pull down assay
50022496	1139	ChEMBL_2515141	Binding affinity to human OSGEP incubated for 45 mins by Kinobead based pull down assay
50022496	1140	ChEMBL_2515142	Binding affinity to human OSTC incubated for 45 mins by Kinobead based pull down assay
50022496	1141	ChEMBL_2515143	Binding affinity to human OTUB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1142	ChEMBL_2515144	Binding affinity to human OXA1L incubated for 45 mins by Kinobead based pull down assay
50022496	1143	ChEMBL_2515145	Binding affinity to human P4HA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1144	ChEMBL_2515146	Binding affinity to human P4HB incubated for 45 mins by Kinobead based pull down assay
50022496	1145	ChEMBL_2515147	Binding affinity to human PA2G4 incubated for 45 mins by Kinobead based pull down assay
50022496	1146	ChEMBL_2515148	Binding affinity to human PABPC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1147	ChEMBL_2515149	Binding affinity to human PABPC4 incubated for 45 mins by Kinobead based pull down assay
50022496	1148	ChEMBL_2515150	Binding affinity to human PAFAH1B2 incubated for 45 mins by Kinobead based pull down assay
50022496	1149	ChEMBL_2515151	Binding affinity to human PAFAH1B3 incubated for 45 mins by Kinobead based pull down assay
50022496	1150	ChEMBL_2515152	Binding affinity to human PAG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1151	ChEMBL_2515153	Binding affinity to human PAICS incubated for 45 mins by Kinobead based pull down assay
50022496	1152	ChEMBL_2515154	Binding affinity to human PAIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1153	ChEMBL_2515155	Binding affinity to PAK2 human incubated for 45 mins by Kinobead based pull down assay
50022496	1154	ChEMBL_2515156	Binding affinity to PAK4 human incubated for 45 mins by Kinobead based pull down assay
50022496	1155	ChEMBL_2515157	Binding affinity to PAK6 human incubated for 45 mins by Kinobead based pull down assay
50022496	1156	ChEMBL_2515158	Binding affinity to human PAPSS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1157	ChEMBL_2515159	Binding affinity to human PARK7 incubated for 45 mins by Kinobead based pull down assay
50022496	1158	ChEMBL_2515160	Binding affinity to human PARP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1159	ChEMBL_2515161	Binding affinity to human PARP16 incubated for 45 mins by Kinobead based pull down assay
50022496	1160	ChEMBL_2515162	Binding affinity to human PBDC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1161	ChEMBL_2515163	Binding affinity to human PBK incubated for 45 mins by Kinobead based pull down assay
50022496	1162	ChEMBL_2515164	Binding affinity to human PCBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1163	ChEMBL_2515166	Binding affinity to human PCCA incubated for 45 mins by Kinobead based pull down assay
50022496	1164	ChEMBL_2515167	Binding affinity to human PCID2 incubated for 45 mins by Kinobead based pull down assay
50022496	1165	ChEMBL_2515168	Binding affinity to human PCK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1166	ChEMBL_2515169	Binding affinity to human PCMT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1167	ChEMBL_2515170	Binding affinity to human PCNA incubated for 45 mins by Kinobead based pull down assay
50022496	1168	ChEMBL_2515171	Binding affinity to human PCNP incubated for 45 mins by Kinobead based pull down assay
50022496	1169	ChEMBL_2515172	Binding affinity to human PDAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1170	ChEMBL_2515173	Binding affinity to human PDCD10 incubated for 45 mins by Kinobead based pull down assay
50022496	1171	ChEMBL_2515174	Binding affinity to human PDCD11 incubated for 45 mins by Kinobead based pull down assay
50022496	1172	ChEMBL_2515175	Binding affinity to human PDCD4 incubated for 45 mins by Kinobead based pull down assay
50022496	1173	ChEMBL_2515176	Binding affinity to human PDCD5 incubated for 45 mins by Kinobead based pull down assay
50022496	1174	ChEMBL_2515177	Binding affinity to human PDCD6 incubated for 45 mins by Kinobead based pull down assay
50022496	1175	ChEMBL_2515178	Binding affinity to human PDCD6IP human incubated for 45 mins by Kinobead based pull down assay
50022496	1176	ChEMBL_2515179	Binding affinity to human PDE12 incubated for 45 mins by Kinobead based pull down assay
50022496	1177	ChEMBL_2515180	Binding affinity to human PDGFRB incubated for 45 mins by Kinobead based pull down assay
50022496	1178	ChEMBL_2515181	Binding affinity to human PDHA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1179	ChEMBL_2515182	Binding affinity to human PDHA2 incubated for 45 mins by Kinobead based pull down assay
50022496	1180	ChEMBL_2515183	Binding affinity to human PDHB incubated for 45 mins by Kinobead based pull down assay
50022496	1181	ChEMBL_2515184	Binding affinity to human PDHX incubated for 45 mins by Kinobead based pull down assay
50022496	1182	ChEMBL_2515185	Binding affinity to human PDIA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1183	ChEMBL_2515186	Binding affinity to human PDIA4 incubated for 45 mins by Kinobead based pull down assay
50022496	1184	ChEMBL_2515187	Binding affinity to human PDIA5 incubated for 45 mins by Kinobead based pull down assay
50022496	1185	ChEMBL_2515188	Binding affinity to human PDIA6 incubated for 45 mins by Kinobead based pull down assay
50022496	1186	ChEMBL_2515189	Binding affinity to human PDK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1187	ChEMBL_2515190	Binding affinity to human PDLIM5 incubated for 45 mins by Kinobead based pull down assay
50022496	1188	ChEMBL_2515192	Binding affinity to human PDS5A incubated for 45 mins by Kinobead based pull down assay
50022496	1189	ChEMBL_2515193	Binding affinity to human PDS5B incubated for 45 mins by Kinobead based pull down assay
50022496	1190	ChEMBL_2515195	Binding affinity to human PDXK incubated for 45 mins by Kinobead based pull down assay
50022496	1191	ChEMBL_2515196	Binding affinity to human PEBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1192	ChEMBL_2515197	Binding affinity to human PEF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1193	ChEMBL_2515198	Binding affinity to human PELP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1194	ChEMBL_2515199	Binding affinity to human PEPD incubated for 45 mins by Kinobead based pull down assay
50022496	1195	ChEMBL_2515200	Binding affinity to human PFAS incubated for 45 mins by Kinobead based pull down assay
50022496	1196	ChEMBL_2515201	Binding affinity to human PFDN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1197	ChEMBL_2515202	Binding affinity to human PFDN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1198	ChEMBL_2515203	Binding affinity to human PFDN6 incubated for 45 mins by Kinobead based pull down assay
50022496	1199	ChEMBL_2515204	Binding affinity to human PFKL incubated for 45 mins by Kinobead based pull down assay
50022496	1200	ChEMBL_2515205	Binding affinity to human PFKP incubated for 45 mins by Kinobead based pull down assay
50022496	1201	ChEMBL_2515206	Binding affinity to human PFN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1202	ChEMBL_2515207	Binding affinity to human PGAM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1203	ChEMBL_2515208	Binding affinity to human PGAM5 incubated for 45 mins by Kinobead based pull down assay
50022496	1204	ChEMBL_2515209	Binding affinity to human PGD incubated for 45 mins by Kinobead based pull down assay
50022496	1205	ChEMBL_2515210	Binding affinity to human PGK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1206	ChEMBL_2515211	Binding affinity to human PGLS incubated for 45 mins by Kinobead based pull down assay
50022496	1207	ChEMBL_2515212	Binding affinity to human PGM2 incubated for 45 mins by Kinobead based pull down assay
50022496	1208	ChEMBL_2515213	Binding affinity to human PGR incubated for 45 mins by Kinobead based pull down assay
50022496	1209	ChEMBL_2515214	Binding affinity to human PGRMC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1210	ChEMBL_2515215	Binding affinity to human PGRMC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1211	ChEMBL_2515216	Binding affinity to human PHB incubated for 45 mins by Kinobead based pull down assay
50022496	1212	ChEMBL_2515217	Binding affinity to human PHB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1213	ChEMBL_2515218	Binding affinity to human PHGDH incubated for 45 mins by Kinobead based pull down assay
50022496	1214	ChEMBL_2515219	Binding affinity to human PHKA2 incubated for 45 mins by Kinobead based pull down assay
50022496	1215	ChEMBL_2515220	Binding affinity to human PHKB incubated for 45 mins by Kinobead based pull down assay
50022496	1216	ChEMBL_2515221	Binding affinity to human PHKG2 incubated for 45 mins by Kinobead based pull down assay
50022496	1217	ChEMBL_2515222	Binding affinity to human PHPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1218	ChEMBL_2515223	Binding affinity to human PHYKPL incubated for 45 mins by Kinobead based pull down assay
50022496	1219	ChEMBL_2515224	Binding affinity to human PI4KA incubated for 45 mins by Kinobead based pull down assay
50022496	1220	ChEMBL_2515225	Binding affinity to human PICALM incubated for 45 mins by Kinobead based pull down assay
50022496	1221	ChEMBL_2515226	Binding affinity to human PIGK incubated for 45 mins by Kinobead based pull down assay
50022496	1222	ChEMBL_2515227	Binding affinity to human PIGO incubated for 45 mins by Kinobead based pull down assay
50022496	1223	ChEMBL_2515228	Binding affinity to human PIGS incubated for 45 mins by Kinobead based pull down assay
50022496	1224	ChEMBL_2515229	Binding affinity to human PIGT incubated for 45 mins by Kinobead based pull down assay
50022496	1225	ChEMBL_2515230	Binding affinity to human PIK3C3 incubated for 45 mins by Kinobead based pull down assay
50022496	1226	ChEMBL_2515231	Binding affinity to human PIK3R1 incubated for 45 mins by Kinobead based pull down assay
50022496	1227	ChEMBL_2515232	Binding affinity to human PIK3R2 incubated for 45 mins by Kinobead based pull down assay
50022496	1228	ChEMBL_2515233	Binding affinity to human PIM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1229	ChEMBL_2515234	Binding affinity to human PIN4 incubated for 45 mins by Kinobead based pull down assay
50022496	1230	ChEMBL_2515235	Binding affinity to human PIP4K2A incubated for 45 mins by Kinobead based pull down assay
50022496	1231	ChEMBL_2515236	Binding affinity to human PIP4K2C incubated for 45 mins by Kinobead based pull down assay
50022496	1232	ChEMBL_2515237	Binding affinity to human PITPNB incubated for 45 mins by Kinobead based pull down assay
50022496	1233	ChEMBL_2515238	Binding affinity to human PKM incubated for 45 mins by Kinobead based pull down assay
50022496	1234	ChEMBL_2515239	Binding affinity to human PKMYT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1235	ChEMBL_2515240	Binding affinity to human PKN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1236	ChEMBL_2515241	Binding affinity to human PKN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1237	ChEMBL_2515242	Binding affinity to human PKN3 incubated for 45 mins by Kinobead based pull down assay
50022496	1238	ChEMBL_2515243	Binding affinity to human PLA2G2A incubated for 45 mins by Kinobead based pull down assay
50022496	1239	ChEMBL_2515244	Binding affinity to human PLAA incubated for 45 mins by Kinobead based pull down assay
50022496	1240	ChEMBL_2515245	Binding affinity to human PLEC incubated for 45 mins by Kinobead based pull down assay
50022496	1241	ChEMBL_2515246	Binding affinity to human PLIN3 incubated for 45 mins by Kinobead based pull down assay
50022496	1242	ChEMBL_2515247	Binding affinity to human PLK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1243	ChEMBL_2515248	Binding affinity to human PLK4 incubated for 45 mins by Kinobead based pull down assay
50022496	1244	ChEMBL_2515249	Binding affinity to human PLP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1245	ChEMBL_2515250	Binding affinity to human PMPCB incubated for 45 mins by Kinobead based pull down assay
50022496	1246	ChEMBL_2515251	Binding affinity to human PNP incubated for 45 mins by Kinobead based pull down assay
50022496	1247	ChEMBL_2515252	Binding affinity to human POF1B incubated for 45 mins by Kinobead based pull down assay
50022496	1248	ChEMBL_2515253	Binding affinity to human POLE3 incubated for 45 mins by Kinobead based pull down assay
50022496	1249	ChEMBL_2515254	Binding affinity to human POLR1C incubated for 45 mins by Kinobead based pull down assay
50022496	1250	ChEMBL_2515255	Binding affinity to human POLR2B incubated for 45 mins by Kinobead based pull down assay
50022496	1251	ChEMBL_2515256	Binding affinity to human POLR2E incubated for 45 mins by Kinobead based pull down assay
50022496	1252	ChEMBL_2515257	Binding affinity to human POLR2H incubated for 45 mins by Kinobead based pull down assay
50022496	1253	ChEMBL_2515258	Binding affinity to human POP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1254	ChEMBL_2515259	Binding affinity to human POR incubated for 45 mins by Kinobead based pull down assay
50022496	1255	ChEMBL_2515260	Binding affinity to human POTEE incubated for 45 mins by Kinobead based pull down assay
50022496	1256	ChEMBL_2515261	Binding affinity to human PPA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1257	ChEMBL_2515262	Binding affinity to human PPIA incubated for 45 mins by Kinobead based pull down assay
50022496	1258	ChEMBL_2515263	Binding affinity to human PPIB incubated for 45 mins by Kinobead based pull down assay
50022496	1259	ChEMBL_2515264	Binding affinity to human PPID incubated for 45 mins by Kinobead based pull down assay
50022496	1260	ChEMBL_2515265	Binding affinity to human PPIF incubated for 45 mins by Kinobead based pull down assay
50022496	1261	ChEMBL_2515266	Binding affinity to human PPIH incubated for 45 mins by Kinobead based pull down assay
50022496	1262	ChEMBL_2515267	Binding affinity to human PPIL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1263	ChEMBL_2515268	Binding affinity to human PPM1F incubated for 45 mins by Kinobead based pull down assay
50022496	1264	ChEMBL_2515269	Binding affinity to human PPM1G incubated for 45 mins by Kinobead based pull down assay
50022496	1265	ChEMBL_2515270	Binding affinity to human PPME1 incubated for 45 mins by Kinobead based pull down assay
50022496	1266	ChEMBL_2515271	Binding affinity to human PPP1CC incubated for 45 mins by Kinobead based pull down assay
50022496	1267	ChEMBL_2515272	Binding affinity to human PPP1R1B incubated for 45 mins by Kinobead based pull down assay
50022496	1268	ChEMBL_2515273	Binding affinity to human PPP1R7 incubated for 45 mins by Kinobead based pull down assay
50022496	1269	ChEMBL_2515275	Binding affinity to human PPP2R1A incubated for 45 mins by Kinobead based pull down assay
50022496	1270	ChEMBL_2515276	Binding affinity to human PPP2R2A incubated for 45 mins by Kinobead based pull down assay
50022496	1271	ChEMBL_2515277	Binding affinity to human PPP2R4 incubated for 45 mins by Kinobead based pull down assay
50022496	1272	ChEMBL_2515278	Binding affinity to human PPP2R5D incubated for 45 mins by Kinobead based pull down assay
50022496	1273	ChEMBL_2515279	Binding affinity to human PPP6C incubated for 45 mins by Kinobead based pull down assay
50022496	1274	ChEMBL_2515280	Binding affinity to human PPP6R1 incubated for 45 mins by Kinobead based pull down assay
50022496	1275	ChEMBL_2515281	Binding affinity to human PPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1276	ChEMBL_2515282	Binding affinity to human PRCP incubated for 45 mins by Kinobead based pull down assay
50022496	1277	ChEMBL_2515283	Binding affinity to human PRDX1 incubated for 45 mins by Kinobead based pull down assay
50022496	1278	ChEMBL_2515284	Binding affinity to human PRDX2 incubated for 45 mins by Kinobead based pull down assay
50022496	1279	ChEMBL_2515285	Binding affinity to human PRDX3 incubated for 45 mins by Kinobead based pull down assay
50022496	1280	ChEMBL_2515286	Binding affinity to human PRDX4 incubated for 45 mins by Kinobead based pull down assay
50022496	1281	ChEMBL_2515287	Binding affinity to human PRDX5 incubated for 45 mins by Kinobead based pull down assay
50022496	1282	ChEMBL_2515288	Binding affinity to human PRDX6 incubated for 45 mins by Kinobead based pull down assay
50022496	1283	ChEMBL_2515289	Binding affinity to human PRKAA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1284	ChEMBL_2515290	Binding affinity to human PRKAB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1285	ChEMBL_2515291	Binding affinity to human PRKAB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1286	ChEMBL_2515292	Binding affinity to human PRKACA incubated for 45 mins by Kinobead based pull down assay
50022496	1287	ChEMBL_2515293	Binding affinity to human PRKACB incubated for 45 mins by Kinobead based pull down assay
50022496	1288	ChEMBL_2515294	Binding affinity to human PRKACG incubated for 45 mins by Kinobead based pull down assay
50022496	1289	ChEMBL_2515295	Binding affinity to human PRKAG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1290	ChEMBL_2515296	Binding affinity to human PRKAG2 incubated for 45 mins by Kinobead based pull down assay
50022496	1291	ChEMBL_2515297	Binding affinity to human PRKAR2A incubated for 45 mins by Kinobead based pull down assay
50022496	1292	ChEMBL_2515298	Binding affinity to human PRKCA incubated for 45 mins by Kinobead based pull down assay
50022496	1293	ChEMBL_2515299	Binding affinity to human PRKCB incubated for 45 mins by Kinobead based pull down assay
50022496	1294	ChEMBL_2515300	Binding affinity to human PRKCD incubated for 45 mins by Kinobead based pull down assay
50022496	1295	ChEMBL_2515302	Binding affinity to human PRKCI incubated for 45 mins by Kinobead based pull down assay
50022496	1296	ChEMBL_2515303	Binding affinity to human PRKCQ incubated for 45 mins by Kinobead based pull down assay
50022496	1297	ChEMBL_2515304	Binding affinity to human PRKCSH incubated for 45 mins by Kinobead based pull down assay
50022496	1298	ChEMBL_2515305	Binding affinity to human PRKD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1299	ChEMBL_2515306	Binding affinity to human PRKD3 incubated for 45 mins by Kinobead based pull down assay
50022496	1300	ChEMBL_2515307	Binding affinity to human PRKDC incubated for 45 mins by Kinobead based pull down assay
50022496	1301	ChEMBL_2515308	Binding affinity to human PRKG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1302	ChEMBL_2515310	Binding affinity to human PRMT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1303	ChEMBL_2515311	Binding affinity to human PRMT5 incubated for 45 mins by Kinobead based pull down assay
50022496	1304	ChEMBL_2515312	Binding affinity to human PRPF19 incubated for 45 mins by Kinobead based pull down assay
50022496	1305	ChEMBL_2515313	Binding affinity to human PRPF40A incubated for 45 mins by Kinobead based pull down assay
50022496	1306	ChEMBL_2515314	Binding affinity to human PRPF6 incubated for 45 mins by Kinobead based pull down assay
50022496	1307	ChEMBL_2515315	Binding affinity to human PRPF8 incubated for 45 mins by Kinobead based pull down assay
50022496	1308	ChEMBL_2515316	Binding affinity to human PRPH incubated for 45 mins by Kinobead based pull down assay
50022496	1309	ChEMBL_2515318	Binding affinity to human PRRC2A incubated for 45 mins by Kinobead based pull down assay
50022496	1310	ChEMBL_2515319	Binding affinity to human PRRC2C incubated for 45 mins by Kinobead based pull down assay
50022496	1311	ChEMBL_2515320	Binding affinity to human PSAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1312	ChEMBL_2515321	Binding affinity to human PSIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1313	ChEMBL_2515322	Binding affinity to human PSMA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1314	ChEMBL_2515323	Binding affinity to human PSMA2 incubated for 45 mins by Kinobead based pull down assay
50022496	1315	ChEMBL_2515324	Binding affinity to human PSMA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1316	ChEMBL_2515325	Binding affinity to human PSMA4 incubated for 45 mins by Kinobead based pull down assay
50022496	1317	ChEMBL_2515326	Binding affinity to human PSMA5 incubated for 45 mins by Kinobead based pull down assay
50022496	1318	ChEMBL_2515327	Binding affinity to human PSMA6 incubated for 45 mins by Kinobead based pull down assay
50022496	1319	ChEMBL_2515328	Binding affinity to human PSMA7 incubated for 45 mins by Kinobead based pull down assay
50022496	1320	ChEMBL_2515329	Binding affinity to human PSMB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1321	ChEMBL_2515330	Binding affinity to human PSMB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1322	ChEMBL_2515331	Binding affinity to human PSMB3 incubated for 45 mins by Kinobead based pull down assay
50022496	1323	ChEMBL_2515332	Binding affinity to human PSMB4 incubated for 45 mins by Kinobead based pull down assay
50022496	1324	ChEMBL_2515333	Binding affinity to human PSMB5 incubated for 45 mins by Kinobead based pull down assay
50022496	1325	ChEMBL_2515334	Binding affinity to human PSMB6 incubated for 45 mins by Kinobead based pull down assay
50022496	1326	ChEMBL_2515335	Binding affinity to human PSMB7 incubated for 45 mins by Kinobead based pull down assay
50022496	1327	ChEMBL_2515336	Binding affinity to human PSMB8 incubated for 45 mins by Kinobead based pull down assay
50022496	1328	ChEMBL_2515337	Binding affinity to human PSMC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1329	ChEMBL_2515338	Binding affinity to human PSMC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1330	ChEMBL_2515339	Binding affinity to human PSMC3 incubated for 45 mins by Kinobead based pull down assay
50022496	1331	ChEMBL_2515340	Binding affinity to human PSMC4 incubated for 45 mins by Kinobead based pull down assay
50022496	1332	ChEMBL_2515341	Binding affinity to human PSMC5 incubated for 45 mins by Kinobead based pull down assay
50022496	1333	ChEMBL_2515342	Binding affinity to human PSMC6 incubated for 45 mins by Kinobead based pull down assay
50022496	1334	ChEMBL_2515343	Binding affinity to human PSMD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1335	ChEMBL_2515344	Binding affinity to human PSMD11 incubated for 45 mins by Kinobead based pull down assay
50022496	1336	ChEMBL_2515345	Binding affinity to human PSMD12 incubated for 45 mins by Kinobead based pull down assay
50022496	1337	ChEMBL_2515346	Binding affinity to human PSMD13 incubated for 45 mins by Kinobead based pull down assay
50022496	1338	ChEMBL_2515347	Binding affinity to human PSMD14 incubated for 45 mins by Kinobead based pull down assay
50022496	1339	ChEMBL_2515348	Binding affinity to human PSMD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1340	ChEMBL_2515349	Binding affinity to human PSMD3 incubated for 45 mins by Kinobead based pull down assay
50022496	1341	ChEMBL_2515350	Binding affinity to human PSMD5 incubated for 45 mins by Kinobead based pull down assay
50022496	1342	ChEMBL_2515351	Binding affinity to human PSMD6 incubated for 45 mins by Kinobead based pull down assay
50022496	1343	ChEMBL_2515352	Binding affinity to human PSMD7 incubated for 45 mins by Kinobead based pull down assay
50022496	1344	ChEMBL_2515353	Binding affinity to human PSMD8 incubated for 45 mins by Kinobead based pull down assay
50022496	1345	ChEMBL_2515354	Binding affinity to human PSMD9 incubated for 45 mins by Kinobead based pull down assay
50022496	1346	ChEMBL_2515355	Binding affinity to human PSME1 incubated for 45 mins by Kinobead based pull down assay
50022496	1347	ChEMBL_2515356	Binding affinity to human PSME2 incubated for 45 mins by Kinobead based pull down assay
50022496	1348	ChEMBL_2515357	Binding affinity to human PSME3 incubated for 45 mins by Kinobead based pull down assay
50022496	1349	ChEMBL_2515358	Binding affinity to human PSME4 incubated for 45 mins by Kinobead based pull down assay
50022496	1350	ChEMBL_2515359	Binding affinity to human PSPC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1351	ChEMBL_2515360	Binding affinity to human PSPH incubated for 45 mins by Kinobead based pull down assay
50022496	1352	ChEMBL_2515361	Binding affinity to human PSTPIP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1353	ChEMBL_2515362	Binding affinity to human PTAR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1354	ChEMBL_2515363	Binding affinity to human PTBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1355	ChEMBL_2515364	Binding affinity to human PTBP3 incubated for 45 mins by Kinobead based pull down assay
50022496	1356	ChEMBL_2515365	Binding affinity to human PTCD3 incubated for 45 mins by Kinobead based pull down assay
50022496	1357	ChEMBL_2515366	Binding affinity to human PTDSS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1358	ChEMBL_2515367	Binding affinity to human PTDSS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1359	ChEMBL_2515368	Binding affinity to human PTGES2 incubated for 45 mins by Kinobead based pull down assay
50022496	1360	ChEMBL_2515369	Binding affinity to human PTGES3 incubated for 45 mins by Kinobead based pull down assay
50022496	1361	ChEMBL_2515370	Binding affinity to human PTK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1362	ChEMBL_2515371	Binding affinity to human PTK2B incubated for 45 mins by Kinobead based pull down assay
50022496	1363	ChEMBL_2515372	Binding affinity to human PTK6 incubated for 45 mins by Kinobead based pull down assay
50022496	1364	ChEMBL_2515373	Binding affinity to human PTMA incubated for 45 mins by Kinobead based pull down assay
50022496	1365	ChEMBL_2515374	Binding affinity to human PTPN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1366	ChEMBL_2515375	Binding affinity to human PUF60 incubated for 45 mins by Kinobead based pull down assay
50022496	1367	ChEMBL_2515376	Binding affinity to human PUM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1368	ChEMBL_2515377	Binding affinity to human PURB incubated for 45 mins by Kinobead based pull down assay
50022496	1369	ChEMBL_2515378	Binding affinity to human PXMP4 incubated for 45 mins by Kinobead based pull down assay
50022496	1370	ChEMBL_2515379	Binding affinity to human PYCARD incubated for 45 mins by Kinobead based pull down assay
50022496	1371	ChEMBL_2515380	Binding affinity to human PYCR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1372	ChEMBL_2515381	Binding affinity to human PYGB incubated for 45 mins by Kinobead based pull down assay
50022496	1373	ChEMBL_2515382	Binding affinity to human PYGL incubated for 45 mins by Kinobead based pull down assay
50022496	1374	ChEMBL_2515383	Binding affinity to human FLJ45252 incubated for 45 mins by Kinobead based pull down assay
50022496	1375	ChEMBL_2515384	Binding affinity to human QARS incubated for 45 mins by Kinobead based pull down assay
50022496	1376	ChEMBL_2515385	Binding affinity to human QDPR incubated for 45 mins by Kinobead based pull down assay
50022496	1377	ChEMBL_2515386	Binding affinity to human QIL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1378	ChEMBL_2515387	Binding affinity to human QPCTL incubated for 45 mins by Kinobead based pull down assay
50022496	1379	ChEMBL_2515388	Binding affinity to human QTRTD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1380	ChEMBL_2515389	Binding affinity to human RAB10 incubated for 45 mins by Kinobead based pull down assay
50022496	1381	ChEMBL_2515391	Binding affinity to human RAB14 incubated for 45 mins by Kinobead based pull down assay
50022496	1382	ChEMBL_2515392	Binding affinity to human RAB1A incubated for 45 mins by Kinobead based pull down assay
50022496	1383	ChEMBL_2515394	Binding affinity to human RAB27A incubated for 45 mins by Kinobead based pull down assay
50022496	1384	ChEMBL_2515396	Binding affinity to human RAB35 incubated for 45 mins by Kinobead based pull down assay
50022496	1385	ChEMBL_2515397	Binding affinity to human RAB39A incubated for 45 mins by Kinobead based pull down assay
50022496	1386	ChEMBL_2515398	Binding affinity to human RAB5B incubated for 45 mins by Kinobead based pull down assay
50022496	1387	ChEMBL_2515399	Binding affinity to human RAB5C incubated for 45 mins by Kinobead based pull down assay
50022496	1388	ChEMBL_2515400	Binding affinity to human RAB6A incubated for 45 mins by Kinobead based pull down assay
50022496	1389	ChEMBL_2515401	Binding affinity to human RAB7A incubated for 45 mins by Kinobead based pull down assay
50022496	1390	ChEMBL_2515402	Binding affinity to human RAB8A incubated for 45 mins by Kinobead based pull down assay
50022496	1391	ChEMBL_2515403	Binding affinity to human RABL3 incubated for 45 mins by Kinobead based pull down assay
50022496	1392	ChEMBL_2515404	Binding affinity to human RABL6 incubated for 45 mins by Kinobead based pull down assay
50022496	1393	ChEMBL_2515406	Binding affinity to human RAC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1394	ChEMBL_2515407	Binding affinity to human RAD23B incubated for 45 mins by Kinobead based pull down assay
50022496	1395	ChEMBL_2515408	Binding affinity to human RAD50 incubated for 45 mins by Kinobead based pull down assay
50022496	1396	ChEMBL_2515409	Binding affinity to human RAE1 incubated for 45 mins by Kinobead based pull down assay
50022496	1397	ChEMBL_2515410	Binding affinity to human RALA incubated for 45 mins by Kinobead based pull down assay
50022496	1398	ChEMBL_2515411	Binding affinity to human RAN incubated for 45 mins by Kinobead based pull down assay
50022496	1399	ChEMBL_2515412	Binding affinity to human RANBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1400	ChEMBL_2515413	Binding affinity to human RANBP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1401	ChEMBL_2515415	Binding affinity to human RAP2C incubated for 45 mins by Kinobead based pull down assay
50022496	1402	ChEMBL_2515416	Binding affinity to human RARS incubated for 45 mins by Kinobead based pull down assay
50022496	1403	ChEMBL_2515417	Binding affinity to human RARS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1404	ChEMBL_2515418	Binding affinity to human RASSF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1405	ChEMBL_2515419	Binding affinity to human RASSF5 incubated for 45 mins by Kinobead based pull down assay
50022496	1406	ChEMBL_2515420	Binding affinity to human RAVER1 incubated for 45 mins by Kinobead based pull down assay
50022496	1407	ChEMBL_2515421	Binding affinity to human RBBP4 incubated for 45 mins by Kinobead based pull down assay
50022496	1408	ChEMBL_2515422	Binding affinity to human RBBP7 incubated for 45 mins by Kinobead based pull down assay
50022496	1409	ChEMBL_2515423	Binding affinity to human RBM12 incubated for 45 mins by Kinobead based pull down assay
50022496	1410	ChEMBL_2515424	Binding affinity to human RBM14 incubated for 45 mins by Kinobead based pull down assay
50022496	1411	ChEMBL_2515425	Binding affinity to human RBM15 incubated for 45 mins by Kinobead based pull down assay
50022496	1412	ChEMBL_2515426	Binding affinity to human RBM17 incubated for 45 mins by Kinobead based pull down assay
50022496	1413	ChEMBL_2515427	Binding affinity to human RBM25 incubated for 45 mins by Kinobead based pull down assay
50022496	1414	ChEMBL_2515428	Binding affinity to human RBM26 incubated for 45 mins by Kinobead based pull down assay
50022496	1415	ChEMBL_2515429	Binding affinity to human RBM28 incubated for 45 mins by Kinobead based pull down assay
50022496	1416	ChEMBL_2515430	Binding affinity to human RBM3 incubated for 45 mins by Kinobead based pull down assay
50022496	1417	ChEMBL_2515433	Binding affinity to human RCC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1418	ChEMBL_2515434	Binding affinity to human RCSD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1419	ChEMBL_2515435	Binding affinity to human RDX incubated for 45 mins by Kinobead based pull down assay
50022496	1420	ChEMBL_2515436	Binding affinity to human RECQL incubated for 45 mins by Kinobead based pull down assay
50022496	1421	ChEMBL_2515437	Binding affinity to human REL incubated for 45 mins by Kinobead based pull down assay
50022496	1422	ChEMBL_2515438	Binding affinity to human RELA incubated for 45 mins by Kinobead based pull down assay
50022496	1423	ChEMBL_2515439	Binding affinity to human RER1 incubated for 45 mins by Kinobead based pull down assay
50022496	1424	ChEMBL_2515440	Binding affinity to human RET incubated for 45 mins by Kinobead based pull down assay
50022496	1425	ChEMBL_2515441	Binding affinity to human RFC3 incubated for 45 mins by Kinobead based pull down assay
50022496	1426	ChEMBL_2515442	Binding affinity to human RFC4 incubated for 45 mins by Kinobead based pull down assay
50022496	1427	ChEMBL_2515443	Binding affinity to human RFC5 incubated for 45 mins by Kinobead based pull down assay
50022496	1428	ChEMBL_2515444	Binding affinity to human RFT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1429	ChEMBL_2515445	Binding affinity to human RFTN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1430	ChEMBL_2515447	Binding affinity to human RHOT2 incubated for 45 mins by Kinobead based pull down assay
50022496	1431	ChEMBL_2515448	Binding affinity to human RICTOR incubated for 45 mins by Kinobead based pull down assay
50022496	1432	ChEMBL_2515449	Binding affinity to human RIF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1433	ChEMBL_2515450	Binding affinity to human RIPK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1434	ChEMBL_2515451	Binding affinity to human RIPK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1435	ChEMBL_2515452	Binding affinity to human RNF10 incubated for 45 mins by Kinobead based pull down assay
50022496	1436	ChEMBL_2515453	Binding affinity to human RNF213 incubated for 45 mins by Kinobead based pull down assay
50022496	1437	ChEMBL_2515454	Binding affinity to human RNH1 incubated for 45 mins by Kinobead based pull down assay
50022496	1438	ChEMBL_2515455	Binding affinity to human RNPEP incubated for 45 mins by Kinobead based pull down assay
50022496	1439	ChEMBL_2515456	Binding affinity to human ROCK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1440	ChEMBL_2515457	Binding affinity to human ROCK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1441	ChEMBL_2515458	Binding affinity to human RPA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1442	ChEMBL_2515459	Binding affinity to human RPA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1443	ChEMBL_2515460	Binding affinity to human RPAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1444	ChEMBL_2515461	Binding affinity to human RPL10 incubated for 45 mins by Kinobead based pull down assay
50022496	1445	ChEMBL_2515462	Binding affinity to human RPL10A incubated for 45 mins by Kinobead based pull down assay
50022496	1446	ChEMBL_2515463	Binding affinity to human RPL11 incubated for 45 mins by Kinobead based pull down assay
50022496	1447	ChEMBL_2515464	Binding affinity to human RPL12 incubated for 45 mins by Kinobead based pull down assay
50022496	1448	ChEMBL_2515465	Binding affinity to human RPL13 incubated for 45 mins by Kinobead based pull down assay
50022496	1449	ChEMBL_2515466	Binding affinity to human RPL13A incubated for 45 mins by Kinobead based pull down assay
50022496	1450	ChEMBL_2515467	Binding affinity to human RPL14 incubated for 45 mins by Kinobead based pull down assay
50022496	1451	ChEMBL_2515468	Binding affinity to human RPL15 incubated for 45 mins by Kinobead based pull down assay
50022496	1452	ChEMBL_2515469	Binding affinity to human RPL17 incubated for 45 mins by Kinobead based pull down assay
50022496	1453	ChEMBL_2515470	Binding affinity to human RPL18 incubated for 45 mins by Kinobead based pull down assay
50022496	1454	ChEMBL_2515471	Binding affinity to human RPL18A incubated for 45 mins by Kinobead based pull down assay
50022496	1455	ChEMBL_2515472	Binding affinity to human RPL19 incubated for 45 mins by Kinobead based pull down assay
50022496	1456	ChEMBL_2515473	Binding affinity to human RPL21 incubated for 45 mins by Kinobead based pull down assay
50022496	1457	ChEMBL_2515474	Binding affinity to human RPL22 incubated for 45 mins by Kinobead based pull down assay
50022496	1458	ChEMBL_2515475	Binding affinity to human RPL23 incubated for 45 mins by Kinobead based pull down assay
50022496	1459	ChEMBL_2515476	Binding affinity to human RPL23A incubated for 45 mins by Kinobead based pull down assay
50022496	1460	ChEMBL_2515477	Binding affinity to human RPL24 incubated for 45 mins by Kinobead based pull down assay
50022496	1461	ChEMBL_2515478	Binding affinity to human RPL26 incubated for 45 mins by Kinobead based pull down assay
50022496	1462	ChEMBL_2515479	Binding affinity to human RPL27 incubated for 45 mins by Kinobead based pull down assay
50022496	1463	ChEMBL_2515480	Binding affinity to human RPL27A incubated for 45 mins by Kinobead based pull down assay
50022496	1464	ChEMBL_2515481	Binding affinity to human RPL28 incubated for 45 mins by Kinobead based pull down assay
50022496	1465	ChEMBL_2515482	Binding affinity to human RPL3 incubated for 45 mins by Kinobead based pull down assay
50022496	1466	ChEMBL_2515483	Binding affinity to human RPL30 incubated for 45 mins by Kinobead based pull down assay
50022496	1467	ChEMBL_2515484	Binding affinity to human RPL31 incubated for 45 mins by Kinobead based pull down assay
50022496	1468	ChEMBL_2515485	Binding affinity to human RPL34 incubated for 45 mins by Kinobead based pull down assay
50022496	1469	ChEMBL_2515486	Binding affinity to human RPL35 incubated for 45 mins by Kinobead based pull down assay
50022496	1470	ChEMBL_2515487	Binding affinity to human RPL35A incubated for 45 mins by Kinobead based pull down assay
50022496	1471	ChEMBL_2515488	Binding affinity to human RPL36 incubated for 45 mins by Kinobead based pull down assay
50022496	1472	ChEMBL_2515490	Binding affinity to human RPL37A incubated for 45 mins by Kinobead based pull down assay
50022496	1473	ChEMBL_2515491	Binding affinity to human RPL38 incubated for 45 mins by Kinobead based pull down assay
50022496	1474	ChEMBL_2515492	Binding affinity to human RPL4 incubated for 45 mins by Kinobead based pull down assay
50022496	1475	ChEMBL_2515493	Binding affinity to human RPL5 incubated for 45 mins by Kinobead based pull down assay
50022496	1476	ChEMBL_2515494	Binding affinity to human RPL6 incubated for 45 mins by Kinobead based pull down assay
50022496	1477	ChEMBL_2515495	Binding affinity to human RPL7 incubated for 45 mins by Kinobead based pull down assay
50022496	1478	ChEMBL_2515496	Binding affinity to human RPL7A incubated for 45 mins by Kinobead based pull down assay
50022496	1479	ChEMBL_2515497	Binding affinity to human RPL8 incubated for 45 mins by Kinobead based pull down assay
50022496	1480	ChEMBL_2515498	Binding affinity to human RPL9 incubated for 45 mins by Kinobead based pull down assay
50022496	1481	ChEMBL_2515500	Binding affinity to human RPLP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1482	ChEMBL_2515501	Binding affinity to human RPLP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1483	ChEMBL_2515502	Binding affinity to human RPN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1484	ChEMBL_2515503	Binding affinity to human RPN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1485	ChEMBL_2515504	Binding affinity to human RPS10 incubated for 45 mins by Kinobead based pull down assay
50022496	1486	ChEMBL_2515505	Binding affinity to human RPS11 incubated for 45 mins by Kinobead based pull down assay
50022496	1487	ChEMBL_2515506	Binding affinity to human RPS12 incubated for 45 mins by Kinobead based pull down assay
50022496	1488	ChEMBL_2515507	Binding affinity to human RPS13 incubated for 45 mins by Kinobead based pull down assay
50022496	1489	ChEMBL_2515508	Binding affinity to human RPS14 incubated for 45 mins by Kinobead based pull down assay
50022496	1490	ChEMBL_2515509	Binding affinity to human RPS15 incubated for 45 mins by Kinobead based pull down assay
50022496	1491	ChEMBL_2515510	Binding affinity to human RPS15A incubated for 45 mins by Kinobead based pull down assay
50022496	1492	ChEMBL_2515511	Binding affinity to human RPS16 incubated for 45 mins by Kinobead based pull down assay
50022496	1493	ChEMBL_2515512	Binding affinity to human RPS17 incubated for 45 mins by Kinobead based pull down assay
50022496	1494	ChEMBL_2515513	Binding affinity to human RPS18 incubated for 45 mins by Kinobead based pull down assay
50022496	1495	ChEMBL_2515514	Binding affinity to human RPS19 incubated for 45 mins by Kinobead based pull down assay
50022496	1496	ChEMBL_2515515	Binding affinity to human RPS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1497	ChEMBL_2515516	Binding affinity to human RPS20 incubated for 45 mins by Kinobead based pull down assay
50022496	1498	ChEMBL_2515517	Binding affinity to human RPS21 incubated for 45 mins by Kinobead based pull down assay
50022496	1499	ChEMBL_2515518	Binding affinity to human RPS23 incubated for 45 mins by Kinobead based pull down assay
50022496	1500	ChEMBL_2515519	Binding affinity to human RPS24 incubated for 45 mins by Kinobead based pull down assay
50022496	1501	ChEMBL_2515520	Binding affinity to human RPS25 incubated for 45 mins by Kinobead based pull down assay
50022496	1502	ChEMBL_2515522	Binding affinity to human RPS27 incubated for 45 mins by Kinobead based pull down assay
50022496	1503	ChEMBL_2515524	Binding affinity to human RPS27L incubated for 45 mins by Kinobead based pull down assay
50022496	1504	ChEMBL_2515525	Binding affinity to human RPS28 incubated for 45 mins by Kinobead based pull down assay
50022496	1505	ChEMBL_2515526	Binding affinity to human RPS29 incubated for 45 mins by Kinobead based pull down assay
50022496	1506	ChEMBL_2515527	Binding affinity to human RPS3 incubated for 45 mins by Kinobead based pull down assay
50022496	1507	ChEMBL_2515528	Binding affinity to human RPS3A incubated for 45 mins by Kinobead based pull down assay
50022496	1508	ChEMBL_2515529	Binding affinity to human RPS4X incubated for 45 mins by Kinobead based pull down assay
50022496	1509	ChEMBL_2515530	Binding affinity to human RPS5 incubated for 45 mins by Kinobead based pull down assay
50022496	1510	ChEMBL_2515531	Binding affinity to human RPS6 incubated for 45 mins by Kinobead based pull down assay
50022496	1511	ChEMBL_2515532	Binding affinity to human RPS6KA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1512	ChEMBL_2515533	Binding affinity to human RPS6KA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1513	ChEMBL_2515534	Binding affinity to human RPS6KA4 incubated for 45 mins by Kinobead based pull down assay
50022496	1514	ChEMBL_2515535	Binding affinity to human RPS6KA5 incubated for 45 mins by Kinobead based pull down assay
50022496	1515	ChEMBL_2515536	Binding affinity to human RPS6KA6 incubated for 45 mins by Kinobead based pull down assay
50022496	1516	ChEMBL_2515537	Binding affinity to human RPS7 incubated for 45 mins by Kinobead based pull down assay
50022496	1517	ChEMBL_2515538	Binding affinity to human RPS8 incubated for 45 mins by Kinobead based pull down assay
50022496	1518	ChEMBL_2515539	Binding affinity to human RPS9 incubated for 45 mins by Kinobead based pull down assay
50022496	1519	ChEMBL_2515540	Binding affinity to human RPSA incubated for 45 mins by Kinobead based pull down assay
50022496	1520	ChEMBL_2515541	Binding affinity to human RQCD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1521	ChEMBL_2515542	Binding affinity to human RRBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1522	ChEMBL_2515543	Binding affinity to human RRM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1523	ChEMBL_2515544	Binding affinity to human RRP12 incubated for 45 mins by Kinobead based pull down assay
50022496	1524	ChEMBL_2515545	Binding affinity to human RRP15 incubated for 45 mins by Kinobead based pull down assay
50022496	1525	ChEMBL_2515546	Binding affinity to human RRP1B incubated for 45 mins by Kinobead based pull down assay
50022496	1526	ChEMBL_2515547	Binding affinity to human RRS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1527	ChEMBL_2515548	Binding affinity to human RTCB incubated for 45 mins by Kinobead based pull down assay
50022496	1528	ChEMBL_2515549	Binding affinity to human RTN3 incubated for 45 mins by Kinobead based pull down assay
50022496	1529	ChEMBL_2515550	Binding affinity to human RTN4 incubated for 45 mins by Kinobead based pull down assay
50022496	1530	ChEMBL_2515551	Binding affinity to human RUVBL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1531	ChEMBL_2515552	Binding affinity to human RUVBL2 incubated for 45 mins by Kinobead based pull down assay
50022496	1532	ChEMBL_2515553	Binding affinity to human S100A10 incubated for 45 mins by Kinobead based pull down assay
50022496	1533	ChEMBL_2515554	Binding affinity to human S100A11 incubated for 45 mins by Kinobead based pull down assay
50022496	1534	ChEMBL_2515555	Binding affinity to human S100A6 incubated for 45 mins by Kinobead based pull down assay
50022496	1535	ChEMBL_2515556	Binding affinity to human S100P incubated for 45 mins by Kinobead based pull down assay
50022496	1536	ChEMBL_2515557	Binding affinity to human SAAL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1537	ChEMBL_2515558	Binding affinity to human SACM1L incubated for 45 mins by Kinobead based pull down assay
50022496	1538	ChEMBL_2515559	Binding affinity to human SAE1 incubated for 45 mins by Kinobead based pull down assay
50022496	1539	ChEMBL_2515560	Binding affinity to human SAMHD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1540	ChEMBL_2515561	Binding affinity to human SAMM50 incubated for 45 mins by Kinobead based pull down assay
50022496	1541	ChEMBL_2515562	Binding affinity to human SAMSN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1542	ChEMBL_2515563	Binding affinity to human SARAF incubated for 45 mins by Kinobead based pull down assay
50022496	1543	ChEMBL_2515564	Binding affinity to human SARNP incubated for 45 mins by Kinobead based pull down assay
50022496	1544	ChEMBL_2515565	Binding affinity to human SARS incubated for 45 mins by Kinobead based pull down assay
50022496	1545	ChEMBL_2515566	Binding affinity to human SART3 incubated for 45 mins by Kinobead based pull down assay
50022496	1546	ChEMBL_2515567	Binding affinity to human SAV1 incubated for 45 mins by Kinobead based pull down assay
50022496	1547	ChEMBL_2515568	Binding affinity to human SBDS incubated for 45 mins by Kinobead based pull down assay
50022496	1548	ChEMBL_2515569	Binding affinity to human SCAMP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1549	ChEMBL_2515570	Binding affinity to human SCAMP3 incubated for 45 mins by Kinobead based pull down assay
50022496	1550	ChEMBL_2515571	Binding affinity to human SCD incubated for 45 mins by Kinobead based pull down assay
50022496	1551	ChEMBL_2515572	Binding affinity to human SCD5 incubated for 45 mins by Kinobead based pull down assay
50022496	1552	ChEMBL_2515573	Binding affinity to human SCFD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1553	ChEMBL_2515574	Binding affinity to human SCLY incubated for 45 mins by Kinobead based pull down assay
50022496	1554	ChEMBL_2515575	Binding affinity to human SCO2 incubated for 45 mins by Kinobead based pull down assay
50022496	1555	ChEMBL_2515576	Binding affinity to human SCP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1556	ChEMBL_2515577	Binding affinity to human SDAD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1557	ChEMBL_2515578	Binding affinity to human SDC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1558	ChEMBL_2515579	Binding affinity to human SDHA incubated for 45 mins by Kinobead based pull down assay
50022496	1559	ChEMBL_2515580	Binding affinity to human SDHB incubated for 45 mins by Kinobead based pull down assay
50022496	1560	ChEMBL_2515581	Binding affinity to human SEC11A incubated for 45 mins by Kinobead based pull down assay
50022496	1561	ChEMBL_2515582	Binding affinity to human SEC13 incubated for 45 mins by Kinobead based pull down assay
50022496	1562	ChEMBL_2515583	Binding affinity to human SEC16A incubated for 45 mins by Kinobead based pull down assay
50022496	1563	ChEMBL_2515584	Binding affinity to human SEC22B incubated for 45 mins by Kinobead based pull down assay
50022496	1564	ChEMBL_2515585	Binding affinity to human SEC23A incubated for 45 mins by Kinobead based pull down assay
50022496	1565	ChEMBL_2515586	Binding affinity to human SEC23B incubated for 45 mins by Kinobead based pull down assay
50022496	1566	ChEMBL_2515587	Binding affinity to human SEC23IP incubated for 45 mins by Kinobead based pull down assay
50022496	1567	ChEMBL_2515588	Binding affinity to human SEC24C incubated for 45 mins by Kinobead based pull down assay
50022496	1568	ChEMBL_2515589	Binding affinity to human SEC61A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1569	ChEMBL_2515590	Binding affinity to human SEC61B incubated for 45 mins by Kinobead based pull down assay
50022496	1570	ChEMBL_2515591	Binding affinity to human SEC61G incubated for 45 mins by Kinobead based pull down assay
50022496	1571	ChEMBL_2515592	Binding affinity to human SEC62 incubated for 45 mins by Kinobead based pull down assay
50022496	1572	ChEMBL_2515593	Binding affinity to human SEC63 incubated for 45 mins by Kinobead based pull down assay
50022496	1573	ChEMBL_2515594	Binding affinity to human Sep2 incubated for 45 mins by Kinobead based pull down assay
50022496	1574	ChEMBL_2515595	Binding affinity to human Sep6 incubated for 45 mins by Kinobead based pull down assay
50022496	1575	ChEMBL_2515596	Binding affinity to human Sep7 incubated for 45 mins by Kinobead based pull down assay
50022496	1576	ChEMBL_2515597	Binding affinity to human Sep8 incubated for 45 mins by Kinobead based pull down assay
50022496	1577	ChEMBL_2515598	Binding affinity to human Sep9 incubated for 45 mins by Kinobead based pull down assay
50022496	1578	ChEMBL_2515599	Binding affinity to human SERBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1579	ChEMBL_2515600	Binding affinity to human SERPINB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1580	ChEMBL_2515601	Binding affinity to human SERPINB6 incubated for 45 mins by Kinobead based pull down assay
50022496	1581	ChEMBL_2515603	Binding affinity to human SF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1582	ChEMBL_2515604	Binding affinity to human SF3A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1583	ChEMBL_2515605	Binding affinity to human SF3A2 incubated for 45 mins by Kinobead based pull down assay
50022496	1584	ChEMBL_2515606	Binding affinity to human SF3A3 incubated for 45 mins by Kinobead based pull down assay
50022496	1585	ChEMBL_2515607	Binding affinity to human SF3B1 incubated for 45 mins by Kinobead based pull down assay
50022496	1586	ChEMBL_2515608	Binding affinity to human SF3B2 incubated for 45 mins by Kinobead based pull down assay
50022496	1587	ChEMBL_2515609	Binding affinity to human SF3B3 incubated for 45 mins by Kinobead based pull down assay
50022496	1588	ChEMBL_2515610	Binding affinity to human SF3B5 incubated for 45 mins by Kinobead based pull down assay
50022496	1589	ChEMBL_2515611	Binding affinity to human SFPQ incubated for 45 mins by Kinobead based pull down assay
50022496	1590	ChEMBL_2515612	Binding affinity to human SFXN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1591	ChEMBL_2515613	Binding affinity to human SFXN3 incubated for 45 mins by Kinobead based pull down assay
50022496	1592	ChEMBL_2515614	Binding affinity to human SGTA incubated for 45 mins by Kinobead based pull down assay
50022496	1593	ChEMBL_2515615	Binding affinity to human SHMT2 incubated for 45 mins by Kinobead based pull down assay
50022496	1594	ChEMBL_2515616	Binding affinity to human SHROOM3 incubated for 45 mins by Kinobead based pull down assay
50022496	1595	ChEMBL_2515617	Binding affinity to human SIGMAR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1596	ChEMBL_2515618	Binding affinity to human SIK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1597	ChEMBL_2515619	Binding affinity to human SIK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1598	ChEMBL_2515620	Binding affinity to human SKIV2L2 incubated for 45 mins by Kinobead based pull down assay
50022496	1599	ChEMBL_2515621	Binding affinity to human SKP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1600	ChEMBL_2515622	Binding affinity to human SLC12A2 incubated for 45 mins by Kinobead based pull down assay
50022496	1601	ChEMBL_2515623	Binding affinity to human SLC16A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1602	ChEMBL_2515624	Binding affinity to human SLC16A3 incubated for 45 mins by Kinobead based pull down assay
50022496	1603	ChEMBL_2515625	Binding affinity to human SLC1A5 incubated for 45 mins by Kinobead based pull down assay
50022496	1604	ChEMBL_2515626	Binding affinity to human SLC22A18 incubated for 45 mins by Kinobead based pull down assay
50022496	1605	ChEMBL_2515627	Binding affinity to human SLC25A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1606	ChEMBL_2515628	Binding affinity to human SLC25A11 incubated for 45 mins by Kinobead based pull down assay
50022496	1607	ChEMBL_2515629	Binding affinity to human SLC25A13 incubated for 45 mins by Kinobead based pull down assay
50022496	1608	ChEMBL_2515630	Binding affinity to human SLC25A17 incubated for 45 mins by Kinobead based pull down assay
50022496	1609	ChEMBL_2515631	Binding affinity to human SLC25A3 incubated for 45 mins by Kinobead based pull down assay
50022496	1610	ChEMBL_2515632	Binding affinity to human SLC25A4 incubated for 45 mins by Kinobead based pull down assay
50022496	1611	ChEMBL_2515633	Binding affinity to human SLC25A5 incubated for 45 mins by Kinobead based pull down assay
50022496	1612	ChEMBL_2515634	Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
50022496	1613	ChEMBL_2515635	Binding affinity to human SLC2A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1614	ChEMBL_2515636	Binding affinity to human SLC30A5 incubated for 45 mins by Kinobead based pull down assay
50022496	1615	ChEMBL_2515637	Binding affinity to human SLC30A6 incubated for 45 mins by Kinobead based pull down assay
50022496	1616	ChEMBL_2515638	Binding affinity to human SLC30A7 incubated for 45 mins by Kinobead based pull down assay
50022496	1617	ChEMBL_2515639	Binding affinity to human SLC33A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1618	ChEMBL_2515640	Binding affinity to human SLC35A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1619	ChEMBL_2515641	Binding affinity to human SLC35B2 incubated for 45 mins by Kinobead based pull down assay
50022496	1620	ChEMBL_2515642	Binding affinity to human SLC35E1 incubated for 45 mins by Kinobead based pull down assay
50022496	1621	ChEMBL_2515643	Binding affinity to human SLC37A4 incubated for 45 mins by Kinobead based pull down assay
50022496	1622	ChEMBL_2515644	Binding affinity to human SLC38A7 incubated for 45 mins by Kinobead based pull down assay
50022496	1623	ChEMBL_2515645	Binding affinity to human SLC39A11 incubated for 45 mins by Kinobead based pull down assay
50022496	1624	ChEMBL_2515646	Binding affinity to human SLC39A14 incubated for 45 mins by Kinobead based pull down assay
50022496	1625	ChEMBL_2515647	Binding affinity to human SLC39A3 incubated for 45 mins by Kinobead based pull down assay
50022496	1626	ChEMBL_2515648	Binding affinity to human SLC39A7 incubated for 45 mins by Kinobead based pull down assay
50022496	1627	ChEMBL_2515649	Binding affinity to human SLC3A2 incubated for 45 mins by Kinobead based pull down assay
50022496	1628	ChEMBL_2515650	Binding affinity to human SLC43A3 incubated for 45 mins by Kinobead based pull down assay
50022496	1629	ChEMBL_2515651	Binding affinity to human SLC44A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1630	ChEMBL_2515652	Binding affinity to human SLC5A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1631	ChEMBL_2515653	Binding affinity to human SLC5A6 incubated for 45 mins by Kinobead based pull down assay
50022496	1632	ChEMBL_2515654	Binding affinity to human SLC6A6 incubated for 45 mins by Kinobead based pull down assay
50022496	1633	ChEMBL_2515655	Binding affinity to human SLC7A1 incubated for 45 mins by Kinobead based pull down assay
50022496	1634	ChEMBL_2515656	Binding affinity to human SLC7A5 incubated for 45 mins by Kinobead based pull down assay
50022496	1635	ChEMBL_2515657	Binding affinity to human SLIRP incubated for 45 mins by Kinobead based pull down assay
50022496	1636	ChEMBL_2515658	Binding affinity to human SLK incubated for 45 mins by Kinobead based pull down assay
50022496	1637	ChEMBL_2515659	Binding affinity to human SMAD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1638	ChEMBL_2515661	Binding affinity to human SMARCA5 incubated for 45 mins by Kinobead based pull down assay
50022496	1639	ChEMBL_2515662	Binding affinity to human SMARCB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1640	ChEMBL_2515663	Binding affinity to human SMARCC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1641	ChEMBL_2515664	Binding affinity to human SMARCC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1642	ChEMBL_2515665	Binding affinity to human SMARCE1 incubated for 45 mins by Kinobead based pull down assay
50022496	1643	ChEMBL_2515666	Binding affinity to human SMC1A incubated for 45 mins by Kinobead based pull down assay
50022496	1644	ChEMBL_2515667	Binding affinity to human SMC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1645	ChEMBL_2515668	Binding affinity to human SMC3 incubated for 45 mins by Kinobead based pull down assay
50022496	1646	ChEMBL_2515669	Binding affinity to human SMC4 incubated for 45 mins by Kinobead based pull down assay
50022496	1647	ChEMBL_2515670	Binding affinity to human SMG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1648	ChEMBL_2515671	Binding affinity to human SMPD4 incubated for 45 mins by Kinobead based pull down assay
50022496	1649	ChEMBL_2515672	Binding affinity to human SNAP23 incubated for 45 mins by Kinobead based pull down assay
50022496	1650	ChEMBL_2515673	Binding affinity to human SNAP29 incubated for 45 mins by Kinobead based pull down assay
50022496	1651	ChEMBL_2515674	Binding affinity to human SND1 incubated for 45 mins by Kinobead based pull down assay
50022496	1652	ChEMBL_2515675	Binding affinity to human SNRNP200 incubated for 45 mins by Kinobead based pull down assay
50022496	1653	ChEMBL_2515676	Binding affinity to human SNRPA incubated for 45 mins by Kinobead based pull down assay
50022496	1654	ChEMBL_2515677	Binding affinity to human SNRPA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1655	ChEMBL_2515678	Binding affinity to human SNRPB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1656	ChEMBL_2515680	Binding affinity to human SNRPD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1657	ChEMBL_2515681	Binding affinity to human SNRPD2 incubated for 45 mins by Kinobead based pull down assay
50022496	1658	ChEMBL_2515682	Binding affinity to human SNRPD3 incubated for 45 mins by Kinobead based pull down assay
50022496	1659	ChEMBL_2515683	Binding affinity to human SNRPE incubated for 45 mins by Kinobead based pull down assay
50022496	1660	ChEMBL_2515684	Binding affinity to human SNX1 incubated for 45 mins by Kinobead based pull down assay
50022496	1661	ChEMBL_2515685	Binding affinity to human SNX3 incubated for 45 mins by Kinobead based pull down assay
50022496	1662	ChEMBL_2515686	Binding affinity to human SOAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1663	ChEMBL_2515687	Binding affinity to human SOD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1664	ChEMBL_2515688	Binding affinity to human SOGA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1665	ChEMBL_2515689	Binding affinity to human SORBS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1666	ChEMBL_2515690	Binding affinity to human SORD incubated for 45 mins by Kinobead based pull down assay
50022496	1667	ChEMBL_2515691	Binding affinity to human SPAG5 incubated for 45 mins by Kinobead based pull down assay
50022496	1668	ChEMBL_2515692	Binding affinity to human SPCS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1669	ChEMBL_2515693	Binding affinity to human SPCS3 incubated for 45 mins by Kinobead based pull down assay
50022496	1670	ChEMBL_2515694	Binding affinity to human SPG11 incubated for 45 mins by Kinobead based pull down assay
50022496	1671	ChEMBL_2515695	Binding affinity to human SPINT2 incubated for 45 mins by Kinobead based pull down assay
50022496	1672	ChEMBL_2515696	Binding affinity to human SPTAN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1673	ChEMBL_2515697	Binding affinity to human SPTBN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1674	ChEMBL_2515698	Binding affinity to human SPTLC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1675	ChEMBL_2515699	Binding affinity to human SPTLC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1676	ChEMBL_2515700	Binding affinity to human SQRDL incubated for 45 mins by Kinobead based pull down assay
50022496	1677	ChEMBL_2515701	Binding affinity to human SQSTM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1678	ChEMBL_2515702	Binding affinity to human SRC incubated for 45 mins by Kinobead based pull down assay
50022496	1679	ChEMBL_2515703	Binding affinity to human SRI incubated for 45 mins by Kinobead based pull down assay
50022496	1680	ChEMBL_2515704	Binding affinity to human SRM incubated for 45 mins by Kinobead based pull down assay
50022496	1681	ChEMBL_2515705	Binding affinity to human SRP14 incubated for 45 mins by Kinobead based pull down assay
50022496	1682	ChEMBL_2515706	Binding affinity to human SRP54 incubated for 45 mins by Kinobead based pull down assay
50022496	1683	ChEMBL_2515707	Binding affinity to human SRP68 incubated for 45 mins by Kinobead based pull down assay
50022496	1684	ChEMBL_2515708	Binding affinity to human SRP72 incubated for 45 mins by Kinobead based pull down assay
50022496	1685	ChEMBL_2515709	Binding affinity to human SRP9 incubated for 45 mins by Kinobead based pull down assay
50022496	1686	ChEMBL_2515710	Binding affinity to human SRPRB incubated for 45 mins by Kinobead based pull down assay
50022496	1687	ChEMBL_2515711	Binding affinity to human SRRT incubated for 45 mins by Kinobead based pull down assay
50022496	1688	ChEMBL_2515712	Binding affinity to human SRSF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1689	ChEMBL_2515713	Binding affinity to human SRSF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1690	ChEMBL_2515714	Binding affinity to human SRSF3 incubated for 45 mins by Kinobead based pull down assay
50022496	1691	ChEMBL_2515715	Binding affinity to human SRSF6 incubated for 45 mins by Kinobead based pull down assay
50022496	1692	ChEMBL_2515716	Binding affinity to human SRSF7 incubated for 45 mins by Kinobead based pull down assay
50022496	1693	ChEMBL_2515717	Binding affinity to human SS18L2 incubated for 45 mins by Kinobead based pull down assay
50022496	1694	ChEMBL_2515718	Binding affinity to human SSB incubated for 45 mins by Kinobead based pull down assay
50022496	1695	ChEMBL_2515719	Binding affinity to human SSBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1696	ChEMBL_2515720	Binding affinity to human SSR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1697	ChEMBL_2515721	Binding affinity to human SSR3 incubated for 45 mins by Kinobead based pull down assay
50022496	1698	ChEMBL_2515722	Binding affinity to human SSR4 incubated for 45 mins by Kinobead based pull down assay
50022496	1699	ChEMBL_2515723	Binding affinity to human SSRP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1700	ChEMBL_2515725	Binding affinity to human STAT3 incubated for 45 mins by Kinobead based pull down assay
50022496	1701	ChEMBL_2515726	Binding affinity to human STAT5A/STAT5B incubated for 45 mins by Kinobead based pull down assay
50022496	1702	ChEMBL_2515727	Binding affinity to human STAU1 incubated for 45 mins by Kinobead based pull down assay
50022496	1703	ChEMBL_2515728	Binding affinity to human STIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1704	ChEMBL_2515729	Binding affinity to human STK10 incubated for 45 mins by Kinobead based pull down assay
50022496	1705	ChEMBL_2515730	Binding affinity to human STK11 incubated for 45 mins by Kinobead based pull down assay
50022496	1706	ChEMBL_2515731	Binding affinity to human STK16 incubated for 45 mins by Kinobead based pull down assay
50022496	1707	ChEMBL_2515732	Binding affinity to human STK26 incubated for 45 mins by Kinobead based pull down assay
50022496	1708	ChEMBL_2515733	Binding affinity to human STK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1709	ChEMBL_2515734	Binding affinity to human STK4 incubated for 45 mins by Kinobead based pull down assay
50022496	1710	ChEMBL_2515735	Binding affinity to human STMN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1711	ChEMBL_2515736	Binding affinity to human STMN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1712	ChEMBL_2515737	Binding affinity to human STOM incubated for 45 mins by Kinobead based pull down assay
50022496	1713	ChEMBL_2515738	Binding affinity to human STOML2 incubated for 45 mins by Kinobead based pull down assay
50022496	1714	ChEMBL_2515739	Binding affinity to human STRAP incubated for 45 mins by Kinobead based pull down assay
50022496	1715	ChEMBL_2515740	Binding affinity to human STT3A incubated for 45 mins by Kinobead based pull down assay
50022496	1716	ChEMBL_2515741	Binding affinity to human STT3B incubated for 45 mins by Kinobead based pull down assay
50022496	1717	ChEMBL_2515742	Binding affinity to human STX18 incubated for 45 mins by Kinobead based pull down assay
50022496	1718	ChEMBL_2515743	Binding affinity to human STXBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1719	ChEMBL_2515744	Binding affinity to human SUB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1720	ChEMBL_2515745	Binding affinity to human SUCLA2 incubated for 45 mins by Kinobead based pull down assay
50022496	1721	ChEMBL_2515746	Binding affinity to human SUCLG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1722	ChEMBL_2515747	Binding affinity to human SUCLG2 incubated for 45 mins by Kinobead based pull down assay
50022496	1723	ChEMBL_2515748	Binding affinity to human SUGT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1724	ChEMBL_2515749	Binding affinity to human SUMO2 incubated for 45 mins by Kinobead based pull down assay
50022496	1725	ChEMBL_2515750	Binding affinity to human SUN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1726	ChEMBL_2515751	Binding affinity to human SUPT16H incubated for 45 mins by Kinobead based pull down assay
50022496	1727	ChEMBL_2515752	Binding affinity to human SURF4 incubated for 45 mins by Kinobead based pull down assay
50022496	1728	ChEMBL_2515753	Binding affinity to human SYK incubated for 45 mins by Kinobead based pull down assay
50022496	1729	ChEMBL_2515754	Binding affinity to human SYMPK incubated for 45 mins by Kinobead based pull down assay
50022496	1730	ChEMBL_2515755	Binding affinity to human SYNCRIP incubated for 45 mins by Kinobead based pull down assay
50022496	1731	ChEMBL_2515756	Binding affinity to human SYNGR2 incubated for 45 mins by Kinobead based pull down assay
50022496	1732	ChEMBL_2515757	Binding affinity to human SYPL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1733	ChEMBL_2515758	Binding affinity to human SYVN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1734	ChEMBL_2515759	Binding affinity to human TAF15 incubated for 45 mins by Kinobead based pull down assay
50022496	1735	ChEMBL_2515760	Binding affinity to human TAGLN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1736	ChEMBL_2515761	Binding affinity to human TALDO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1737	ChEMBL_2515762	Binding affinity to human TANK incubated for 45 mins by Kinobead based pull down assay
50022496	1738	ChEMBL_2515763	Binding affinity to human TAOK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1739	ChEMBL_2515764	Binding affinity to human TAOK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1740	ChEMBL_2515765	Binding affinity to human TAOK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1741	ChEMBL_2515766	Binding affinity to human TAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1742	ChEMBL_2515767	Binding affinity to human TAP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1743	ChEMBL_2515768	Binding affinity to human TARBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1744	ChEMBL_2515769	Binding affinity to human TARDBP incubated for 45 mins by Kinobead based pull down assay
50022496	1745	ChEMBL_2515770	Binding affinity to human TARS incubated for 45 mins by Kinobead based pull down assay
50022496	1746	ChEMBL_2515771	Binding affinity to human TARS2 incubated for 45 mins by Kinobead based pull down assay
50022496	1747	ChEMBL_2515772	Binding affinity to human TBC1D15 incubated for 45 mins by Kinobead based pull down assay
50022496	1748	ChEMBL_2515773	Binding affinity to human TBC1D5 incubated for 45 mins by Kinobead based pull down assay
50022496	1749	ChEMBL_2515774	Binding affinity to human TBCA incubated for 45 mins by Kinobead based pull down assay
50022496	1750	ChEMBL_2515775	Binding affinity to human TBCB incubated for 45 mins by Kinobead based pull down assay
50022496	1751	ChEMBL_2515776	Binding affinity to human TBCD incubated for 45 mins by Kinobead based pull down assay
50022496	1752	ChEMBL_2515777	Binding affinity to human TBK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1753	ChEMBL_2515778	Binding affinity to human TBKBP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1754	ChEMBL_2515779	Binding affinity to human TBL1XR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1755	ChEMBL_2515780	Binding affinity to human TBL2 incubated for 45 mins by Kinobead based pull down assay
50022496	1756	ChEMBL_2515781	Binding affinity to human TBRG4 incubated for 45 mins by Kinobead based pull down assay
50022496	1757	ChEMBL_2515782	Binding affinity to human TCEA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1758	ChEMBL_2515783	Binding affinity to human TCEB1 incubated for 45 mins by Kinobead based pull down assay
50022496	1759	ChEMBL_2515784	Binding affinity to human TCEB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1760	ChEMBL_2515785	Binding affinity to human TCERG1 incubated for 45 mins by Kinobead based pull down assay
50022496	1761	ChEMBL_2515786	Binding affinity to human TCF12 incubated for 45 mins by Kinobead based pull down assay
50022496	1762	ChEMBL_2515787	Binding affinity to human TCOF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1763	ChEMBL_2515788	Binding affinity to human TCP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1764	ChEMBL_2515789	Binding affinity to human TEC incubated for 45 mins by Kinobead based pull down assay
50022496	1765	ChEMBL_2515790	Binding affinity to human TECR incubated for 45 mins by Kinobead based pull down assay
50022496	1766	ChEMBL_2515791	Binding affinity to human TELO2 incubated for 45 mins by Kinobead based pull down assay
50022496	1767	ChEMBL_2515792	Binding affinity to human TERF2IP incubated for 45 mins by Kinobead based pull down assay
50022496	1768	ChEMBL_2515793	Binding affinity to human TES incubated for 45 mins by Kinobead based pull down assay
50022496	1769	ChEMBL_2515794	Binding affinity to human TESK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1770	ChEMBL_2515795	Binding affinity to human TEX13A incubated for 45 mins by Kinobead based pull down assay
50022496	1771	ChEMBL_2515796	Binding affinity to human TEX264 incubated for 45 mins by Kinobead based pull down assay
50022496	1772	ChEMBL_2515797	Binding affinity to human TFAM incubated for 45 mins by Kinobead based pull down assay
50022496	1773	ChEMBL_2515799	Binding affinity to human TFRC incubated for 45 mins by Kinobead based pull down assay
50022496	1774	ChEMBL_2515800	Binding affinity to human TGFBR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1775	ChEMBL_2515801	Binding affinity to human TGFBR2 incubated for 45 mins by Kinobead based pull down assay
50022496	1776	ChEMBL_2515802	Binding affinity to human TGOLN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1777	ChEMBL_2515803	Binding affinity to human THEM6 incubated for 45 mins by Kinobead based pull down assay
50022496	1778	ChEMBL_2515804	Binding affinity to human THOC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1779	ChEMBL_2515805	Binding affinity to human THOP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1780	ChEMBL_2515806	Binding affinity to human THRAP3 incubated for 45 mins by Kinobead based pull down assay
50022496	1781	ChEMBL_2515807	Binding affinity to human THUMPD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1782	ChEMBL_2515808	Binding affinity to human TIA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1783	ChEMBL_2515809	Binding affinity to human TIAL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1784	ChEMBL_2515810	Binding affinity to human TIMM13 incubated for 45 mins by Kinobead based pull down assay
50022496	1785	ChEMBL_2515811	Binding affinity to human TIMM44 incubated for 45 mins by Kinobead based pull down assay
50022496	1786	ChEMBL_2515812	Binding affinity to human TIMM50 incubated for 45 mins by Kinobead based pull down assay
50022496	1787	ChEMBL_2515813	Binding affinity to human TIMM9 incubated for 45 mins by Kinobead based pull down assay
50022496	1788	ChEMBL_2515814	Binding affinity to human TIPRL incubated for 45 mins by Kinobead based pull down assay
50022496	1789	ChEMBL_2515815	Binding affinity to human TK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1790	ChEMBL_2515816	Binding affinity to human TKT incubated for 45 mins by Kinobead based pull down assay
50022496	1791	ChEMBL_2515817	Binding affinity to human TLN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1792	ChEMBL_2515818	Binding affinity to human TM9SF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1793	ChEMBL_2515819	Binding affinity to human TM9SF3 incubated for 45 mins by Kinobead based pull down assay
50022496	1794	ChEMBL_2515820	Binding affinity to human TM9SF4 incubated for 45 mins by Kinobead based pull down assay
50022496	1795	ChEMBL_2515821	Binding affinity to human TMBIM6 incubated for 45 mins by Kinobead based pull down assay
50022496	1796	ChEMBL_2515822	Binding affinity to human TMCO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1797	ChEMBL_2515823	Binding affinity to human TMED10 incubated for 45 mins by Kinobead based pull down assay
50022496	1798	ChEMBL_2515824	Binding affinity to human TMED2 incubated for 45 mins by Kinobead based pull down assay
50022496	1799	ChEMBL_2515825	Binding affinity to human TMED7 incubated for 45 mins by Kinobead based pull down assay
50022496	1800	ChEMBL_2515826	Binding affinity to human TMED9 incubated for 45 mins by Kinobead based pull down assay
50022496	1801	ChEMBL_2515827	Binding affinity to human TMEM109 incubated for 45 mins by Kinobead based pull down assay
50022496	1802	ChEMBL_2515828	Binding affinity to human TMEM120A incubated for 45 mins by Kinobead based pull down assay
50022496	1803	ChEMBL_2515829	Binding affinity to human TMEM126A incubated for 45 mins by Kinobead based pull down assay
50022496	1804	ChEMBL_2515830	Binding affinity to human TMEM14C incubated for 45 mins by Kinobead based pull down assay
50022496	1805	ChEMBL_2515831	Binding affinity to human TMEM161A incubated for 45 mins by Kinobead based pull down assay
50022496	1806	ChEMBL_2515832	Binding affinity to human TMEM164 incubated for 45 mins by Kinobead based pull down assay
50022496	1807	ChEMBL_2515833	Binding affinity to human TMEM165 incubated for 45 mins by Kinobead based pull down assay
50022496	1808	ChEMBL_2515834	Binding affinity to human TMEM205 incubated for 45 mins by Kinobead based pull down assay
50022496	1809	ChEMBL_2515835	Binding affinity to human TMEM33 incubated for 45 mins by Kinobead based pull down assay
50022496	1810	ChEMBL_2515836	Binding affinity to human TMEM41B incubated for 45 mins by Kinobead based pull down assay
50022496	1811	ChEMBL_2515837	Binding affinity to human TMEM43 incubated for 45 mins by Kinobead based pull down assay
50022496	1812	ChEMBL_2515838	Binding affinity to human TMEM63A incubated for 45 mins by Kinobead based pull down assay
50022496	1813	ChEMBL_2515839	Binding affinity to human TMEM70 incubated for 45 mins by Kinobead based pull down assay
50022496	1814	ChEMBL_2515840	Binding affinity to human TMEM97 incubated for 45 mins by Kinobead based pull down assay
50022496	1815	ChEMBL_2515841	Binding affinity to human TMPO (P42166) incubated for 45 mins by Kinobead based pull down assay
50022496	1816	ChEMBL_2515842	Binding affinity to human TMPO (P42167) incubated for 45 mins by Kinobead based pull down assay
50022496	1817	ChEMBL_2515843	Binding affinity to human TMSB10 incubated for 45 mins by Kinobead based pull down assay
50022496	1818	ChEMBL_2515844	Binding affinity to human TMSB4X incubated for 45 mins by Kinobead based pull down assay
50022496	1819	ChEMBL_2515845	Binding affinity to human TMX1 incubated for 45 mins by Kinobead based pull down assay
50022496	1820	ChEMBL_2515846	Binding affinity to human TNIK incubated for 45 mins by Kinobead based pull down assay
50022496	1821	ChEMBL_2515847	Binding affinity to human TNK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1822	ChEMBL_2515848	Binding affinity to human TNK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1823	ChEMBL_2515849	Binding affinity to human TNKS1BP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1824	ChEMBL_2515850	Binding affinity to human TNPO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1825	ChEMBL_2515851	Binding affinity to human TNPO3 incubated for 45 mins by Kinobead based pull down assay
50022496	1826	ChEMBL_2515852	Binding affinity to human TNS4 incubated for 45 mins by Kinobead based pull down assay
50022496	1827	ChEMBL_2515853	Binding affinity to human TOMM22 incubated for 45 mins by Kinobead based pull down assay
50022496	1828	ChEMBL_2515854	Binding affinity to human TOMM34 incubated for 45 mins by Kinobead based pull down assay
50022496	1829	ChEMBL_2515855	Binding affinity to human TOMM40 incubated for 45 mins by Kinobead based pull down assay
50022496	1830	ChEMBL_2515856	Binding affinity to human TOMM70A incubated for 45 mins by Kinobead based pull down assay
50022496	1831	ChEMBL_2515857	Binding affinity to human TOP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1832	ChEMBL_2515858	Binding affinity to human TOP2A incubated for 45 mins by Kinobead based pull down assay
50022496	1833	ChEMBL_2515859	Binding affinity to human TOP2B incubated for 45 mins by Kinobead based pull down assay
50022496	1834	ChEMBL_2515860	Binding affinity to human TOR1AIP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1835	ChEMBL_2515862	Binding affinity to human TP53RK incubated for 45 mins by Kinobead based pull down assay
50022496	1836	ChEMBL_2515863	Binding affinity to human TPD52L2 incubated for 45 mins by Kinobead based pull down assay
50022496	1837	ChEMBL_2515864	Binding affinity to human TPI1 incubated for 45 mins by Kinobead based pull down assay
50022496	1838	ChEMBL_2515865	Binding affinity to human TPM3 incubated for 45 mins by Kinobead based pull down assay
50022496	1839	ChEMBL_2515866	Binding affinity to human TPM4 incubated for 45 mins by Kinobead based pull down assay
50022496	1840	ChEMBL_2515867	Binding affinity to human TPP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1841	ChEMBL_2515868	Binding affinity to human TPP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1842	ChEMBL_2515869	Binding affinity to human TPR incubated for 45 mins by Kinobead based pull down assay
50022496	1843	ChEMBL_2515870	Binding affinity to human TPRKB incubated for 45 mins by Kinobead based pull down assay
50022496	1844	ChEMBL_2515871	Binding affinity to human TPT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1845	ChEMBL_2515872	Binding affinity to human TRA2B incubated for 45 mins by Kinobead based pull down assay
50022496	1846	ChEMBL_2515873	Binding affinity to human TRAF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1847	ChEMBL_2515874	Binding affinity to human TRAFD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1848	ChEMBL_2515875	Binding affinity to human TRAM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1849	ChEMBL_2515876	Binding affinity to human TRAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1850	ChEMBL_2515877	Binding affinity to human TRIM25 incubated for 45 mins by Kinobead based pull down assay
50022496	1851	ChEMBL_2515878	Binding affinity to human TRIM28 incubated for 45 mins by Kinobead based pull down assay
50022496	1852	ChEMBL_2515879	Binding affinity to human TRIM4 incubated for 45 mins by Kinobead based pull down assay
50022496	1853	ChEMBL_2515880	Binding affinity to human TRIM59 incubated for 45 mins by Kinobead based pull down assay
50022496	1854	ChEMBL_2515881	Binding affinity to human TRIP13 incubated for 45 mins by Kinobead based pull down assay
50022496	1855	ChEMBL_2515882	Binding affinity to human TRMT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1856	ChEMBL_2515883	Binding affinity to human TRMT1L incubated for 45 mins by Kinobead based pull down assay
50022496	1857	ChEMBL_2515884	Binding affinity to human TROVE2 incubated for 45 mins by Kinobead based pull down assay
50022496	1858	ChEMBL_2515885	Binding affinity to human TRRAP incubated for 45 mins by Kinobead based pull down assay
50022496	1859	ChEMBL_2515886	Binding affinity to human TSN incubated for 45 mins by Kinobead based pull down assay
50022496	1860	ChEMBL_2515887	Binding affinity to human TSPO incubated for 45 mins by Kinobead based pull down assay
50022496	1861	ChEMBL_2515888	Binding affinity to human TST incubated for 45 mins by Kinobead based pull down assay
50022496	1862	ChEMBL_2515889	Binding affinity to human TTC14 incubated for 45 mins by Kinobead based pull down assay
50022496	1863	ChEMBL_2515890	Binding affinity to human TTC37 incubated for 45 mins by Kinobead based pull down assay
50022496	1864	ChEMBL_2515891	Binding affinity to human TTI1 incubated for 45 mins by Kinobead based pull down assay
50022496	1865	ChEMBL_2515892	Binding affinity to human TTI2 incubated for 45 mins by Kinobead based pull down assay
50022496	1866	ChEMBL_2515893	Binding affinity to human TTK incubated for 45 mins by Kinobead based pull down assay
50022496	1867	ChEMBL_2515894	Binding affinity to human TTLL12 incubated for 45 mins by Kinobead based pull down assay
50022496	1868	ChEMBL_2515895	Binding affinity to human TTN incubated for 45 mins by Kinobead based pull down assay
50022496	1869	ChEMBL_2515896	Binding affinity to human TUBA1B incubated for 45 mins by Kinobead based pull down assay
50022496	1870	ChEMBL_2515897	Binding affinity to human TUBA1C incubated for 45 mins by Kinobead based pull down assay
50022496	1871	ChEMBL_2515898	Binding affinity to human TUBA4A incubated for 45 mins by Kinobead based pull down assay
50022496	1872	ChEMBL_2515899	Binding affinity to human TUBA8 incubated for 45 mins by Kinobead based pull down assay
50022496	1873	ChEMBL_2515900	Binding affinity to human TUBB incubated for 45 mins by Kinobead based pull down assay
50022496	1874	ChEMBL_2515901	Binding affinity to human TUBB2B incubated for 45 mins by Kinobead based pull down assay
50022496	1875	ChEMBL_2515902	Binding affinity to human TUBB3 incubated for 45 mins by Kinobead based pull down assay
50022496	1876	ChEMBL_2515903	Binding affinity to human TUBB4B incubated for 45 mins by Kinobead based pull down assay
50022496	1877	ChEMBL_2515904	Binding affinity to human TUBB6 incubated for 45 mins by Kinobead based pull down assay
50022496	1878	ChEMBL_2515905	Binding affinity to human TUBB8 incubated for 45 mins by Kinobead based pull down assay
50022496	1879	ChEMBL_2515907	Binding affinity to human TUBGCP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1880	ChEMBL_2515908	Binding affinity to human TUBGCP3 incubated for 45 mins by Kinobead based pull down assay
50022496	1881	ChEMBL_2515909	Binding affinity to human TUBGCP4 incubated for 45 mins by Kinobead based pull down assay
50022496	1882	ChEMBL_2515910	Binding affinity to human TUFM incubated for 45 mins by Kinobead based pull down assay
50022496	1883	ChEMBL_2515911	Binding affinity to human TWF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1884	ChEMBL_2515912	Binding affinity to human TXLNA incubated for 45 mins by Kinobead based pull down assay
50022496	1885	ChEMBL_2515913	Binding affinity to human TXN incubated for 45 mins by Kinobead based pull down assay
50022496	1886	ChEMBL_2515914	Binding affinity to human TXNDC17 incubated for 45 mins by Kinobead based pull down assay
50022496	1887	ChEMBL_2515915	Binding affinity to human TXNDC5 incubated for 45 mins by Kinobead based pull down assay
50022496	1888	ChEMBL_2515916	Binding affinity to human TXNL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1889	ChEMBL_2515917	Binding affinity to human TXNRD1 incubated for 45 mins by Kinobead based pull down assay
50022496	1890	ChEMBL_2515918	Binding affinity to human TYK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1891	ChEMBL_2515919	Binding affinity to human U2AF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1892	ChEMBL_2515920	Binding affinity to human U2AF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1893	ChEMBL_2515921	Binding affinity to human U2SURP incubated for 45 mins by Kinobead based pull down assay
50022496	1894	ChEMBL_2515922	Binding affinity to human UACA incubated for 45 mins by Kinobead based pull down assay
50022496	1895	ChEMBL_2515923	Binding affinity to human UBA1 incubated for 45 mins by Kinobead based pull down assay
50022496	1896	ChEMBL_2515924	Binding affinity to human UBA2 incubated for 45 mins by Kinobead based pull down assay
50022496	1897	ChEMBL_2515925	Binding affinity to human UBA3 incubated for 45 mins by Kinobead based pull down assay
50022496	1898	ChEMBL_2515926	Binding affinity to human UBAP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1899	ChEMBL_2515927	Binding affinity to human UBAP2L incubated for 45 mins by Kinobead based pull down assay
50022496	1900	ChEMBL_2515928	Binding affinity to human UBASH3B incubated for 45 mins by Kinobead based pull down assay
50022496	1901	ChEMBL_2515930	Binding affinity to human UBE2I incubated for 45 mins by Kinobead based pull down assay
50022496	1902	ChEMBL_2515931	Binding affinity to human UBE2L3 incubated for 45 mins by Kinobead based pull down assay
50022496	1903	ChEMBL_2515932	Binding affinity to human UBE2M incubated for 45 mins by Kinobead based pull down assay
50022496	1904	ChEMBL_2515934	Binding affinity to human UBE2V1 incubated for 45 mins by Kinobead based pull down assay
50022496	1905	ChEMBL_2515935	Binding affinity to human UBE3A incubated for 45 mins by Kinobead based pull down assay
50022496	1906	ChEMBL_2515936	Binding affinity to human UBE3C incubated for 45 mins by Kinobead based pull down assay
50022496	1907	ChEMBL_2515937	Binding affinity to human UBE4A incubated for 45 mins by Kinobead based pull down assay
50022496	1908	ChEMBL_2515938	Binding affinity to human UBQLN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1909	ChEMBL_2515939	Binding affinity to human UBQLN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1910	ChEMBL_2515940	Binding affinity to human UBR4 incubated for 45 mins by Kinobead based pull down assay
50022496	1911	ChEMBL_2515941	Binding affinity to human UBXN1 incubated for 45 mins by Kinobead based pull down assay
50022496	1912	ChEMBL_2515942	Binding affinity to human UBXN4 incubated for 45 mins by Kinobead based pull down assay
50022496	1913	ChEMBL_2515943	Binding affinity to human UCHL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1914	ChEMBL_2515944	Binding affinity to human UCHL5 incubated for 45 mins by Kinobead based pull down assay
50022496	1915	ChEMBL_2515945	Binding affinity to human UFL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1916	ChEMBL_2515946	Binding affinity to human UFM1 incubated for 45 mins by Kinobead based pull down assay
50022496	1917	ChEMBL_2515947	Binding affinity to human UGDH incubated for 45 mins by Kinobead based pull down assay
50022496	1918	ChEMBL_2515948	Binding affinity to human UGGT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1919	ChEMBL_2515949	Binding affinity to human UGP2 incubated for 45 mins by Kinobead based pull down assay
50022496	1920	ChEMBL_2515950	Binding affinity to human ULK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1921	ChEMBL_2515951	Binding affinity to human ULK2 incubated for 45 mins by Kinobead based pull down assay
50022496	1922	ChEMBL_2515952	Binding affinity to human ULK3 incubated for 45 mins by Kinobead based pull down assay
50022496	1923	ChEMBL_2515953	Binding affinity to human UMPS incubated for 45 mins by Kinobead based pull down assay
50022496	1924	ChEMBL_2515954	Binding affinity to human UNC119 incubated for 45 mins by Kinobead based pull down assay
50022496	1925	ChEMBL_2515955	Binding affinity to human UNC93B1 incubated for 45 mins by Kinobead based pull down assay
50022496	1926	ChEMBL_2515956	Binding affinity to human UPF1 incubated for 45 mins by Kinobead based pull down assay
50022496	1927	ChEMBL_2515957	Binding affinity to human UQCRC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1928	ChEMBL_2515958	Binding affinity to human UQCRC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1929	ChEMBL_2515960	Binding affinity to human URB2 incubated for 45 mins by Kinobead based pull down assay
50022496	1930	ChEMBL_2515961	Binding affinity to human UROD incubated for 45 mins by Kinobead based pull down assay
50022496	1931	ChEMBL_2515962	Binding affinity to human USE1 incubated for 45 mins by Kinobead based pull down assay
50022496	1932	ChEMBL_2515963	Binding affinity to human USMG5 incubated for 45 mins by Kinobead based pull down assay
50022496	1933	ChEMBL_2515964	Binding affinity to human USO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1934	ChEMBL_2515965	Binding affinity to human USP10 incubated for 45 mins by Kinobead based pull down assay
50022496	1935	ChEMBL_2515966	Binding affinity to human USP14 incubated for 45 mins by Kinobead based pull down assay
50022496	1936	ChEMBL_2515967	Binding affinity to human USP39 incubated for 45 mins by Kinobead based pull down assay
50022496	1937	ChEMBL_2515968	Binding affinity to human USP5 incubated for 45 mins by Kinobead based pull down assay
50022496	1938	ChEMBL_2515969	Binding affinity to human USP7 incubated for 45 mins by Kinobead based pull down assay
50022496	1939	ChEMBL_2515970	Binding affinity to human UTP18 incubated for 45 mins by Kinobead based pull down assay
50022496	1940	ChEMBL_2515971	Binding affinity to human UTP20 incubated for 45 mins by Kinobead based pull down assay
50022496	1941	ChEMBL_2515972	Binding affinity to human VAC14 incubated for 45 mins by Kinobead based pull down assay
50022496	1942	ChEMBL_2515973	Binding affinity to human VAMP7 incubated for 45 mins by Kinobead based pull down assay
50022496	1943	ChEMBL_2515974	Binding affinity to human VAMP8 incubated for 45 mins by Kinobead based pull down assay
50022496	1944	ChEMBL_2515975	Binding affinity to human VAPA incubated for 45 mins by Kinobead based pull down assay
50022496	1945	ChEMBL_2515976	Binding affinity to human VAPB incubated for 45 mins by Kinobead based pull down assay
50022496	1946	ChEMBL_2515977	Binding affinity to human VARS incubated for 45 mins by Kinobead based pull down assay
50022496	1947	ChEMBL_2515978	Binding affinity to human VASP incubated for 45 mins by Kinobead based pull down assay
50022496	1948	ChEMBL_2515979	Binding affinity to human VAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	1949	ChEMBL_2515980	Binding affinity to human VCL incubated for 45 mins by Kinobead based pull down assay
50022496	1950	ChEMBL_2515981	Binding affinity to human VCP incubated for 45 mins by Kinobead based pull down assay
50022496	1951	ChEMBL_2515982	Binding affinity to human VDAC1 incubated for 45 mins by Kinobead based pull down assay
50022496	1952	ChEMBL_2515983	Binding affinity to human VDAC2 incubated for 45 mins by Kinobead based pull down assay
50022496	1953	ChEMBL_2515984	Binding affinity to human VDAC3 incubated for 45 mins by Kinobead based pull down assay
50022496	1954	ChEMBL_2515985	Binding affinity to human VGF incubated for 45 mins by Kinobead based pull down assay
50022496	1955	ChEMBL_2515986	Binding affinity to human VIL1 incubated for 45 mins by Kinobead based pull down assay
50022496	1956	ChEMBL_2515987	Binding affinity to human VIM incubated for 45 mins by Kinobead based pull down assay
50022496	1957	ChEMBL_2515988	Binding affinity to human VKORC1L1 incubated for 45 mins by Kinobead based pull down assay
50022496	1958	ChEMBL_2515989	Binding affinity to human VMA21 incubated for 45 mins by Kinobead based pull down assay
50022496	1959	ChEMBL_2515990	Binding affinity to human VMP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1960	ChEMBL_2515991	Binding affinity to human VPS26A incubated for 45 mins by Kinobead based pull down assay
50022496	1961	ChEMBL_2515992	Binding affinity to human VPS26B incubated for 45 mins by Kinobead based pull down assay
50022496	1962	ChEMBL_2515993	Binding affinity to human VPS28 incubated for 45 mins by Kinobead based pull down assay
50022496	1963	ChEMBL_2515994	Binding affinity to human VPS35 incubated for 45 mins by Kinobead based pull down assay
50022496	1964	ChEMBL_2515995	Binding affinity to human WARS incubated for 45 mins by Kinobead based pull down assay
50022496	1965	ChEMBL_2515996	Binding affinity to human WASF2 incubated for 45 mins by Kinobead based pull down assay
50022496	1966	ChEMBL_2515997	Binding affinity to human WDR1 incubated for 45 mins by Kinobead based pull down assay
50022496	1967	ChEMBL_2515998	Binding affinity to human WDR33 incubated for 45 mins by Kinobead based pull down assay
50022496	1968	ChEMBL_2515999	Binding affinity to human WDR36 incubated for 45 mins by Kinobead based pull down assay
50022496	1969	ChEMBL_2516000	Binding affinity to human WDR5 incubated for 45 mins by Kinobead based pull down assay
50022496	1970	ChEMBL_2516001	Binding affinity to human WDR82 incubated for 45 mins by Kinobead based pull down assay
50022496	1971	ChEMBL_2516002	Binding affinity to human WEE1 incubated for 45 mins by Kinobead based pull down assay
50022496	1972	ChEMBL_2516003	Binding affinity to human WFS1 incubated for 45 mins by Kinobead based pull down assay
50022496	1973	ChEMBL_2516004	Binding affinity to human WIBG incubated for 45 mins by Kinobead based pull down assay
50022496	1974	ChEMBL_2516005	Binding affinity to human WIZ incubated for 45 mins by Kinobead based pull down assay
50022496	1975	ChEMBL_2516006	Binding affinity to human WNK1 incubated for 45 mins by Kinobead based pull down assay
50022496	1976	ChEMBL_2516007	Binding affinity to human XPNPEP1 incubated for 45 mins by Kinobead based pull down assay
50022496	1977	ChEMBL_2516008	Binding affinity to human XPO1 incubated for 45 mins by Kinobead based pull down assay
50022496	1978	ChEMBL_2516009	Binding affinity to human XPO5 incubated for 45 mins by Kinobead based pull down assay
50022496	1979	ChEMBL_2516010	Binding affinity to human XPO6 incubated for 45 mins by Kinobead based pull down assay
50022496	1980	ChEMBL_2516011	Binding affinity to human XPO7 incubated for 45 mins by Kinobead based pull down assay
50022496	1981	ChEMBL_2516012	Binding affinity to human XPOT incubated for 45 mins by Kinobead based pull down assay
50022496	1982	ChEMBL_2516013	Binding affinity to human XRCC5 incubated for 45 mins by Kinobead based pull down assay
50022496	1983	ChEMBL_2516014	Binding affinity to human XRCC6 incubated for 45 mins by Kinobead based pull down assay
50022496	1984	ChEMBL_2516015	Binding affinity to human XRN2 incubated for 45 mins by Kinobead based pull down assay
50022496	1985	ChEMBL_2516016	Binding affinity to human YARS incubated for 45 mins by Kinobead based pull down assay
50022496	1986	ChEMBL_2516017	Binding affinity to human YBX1 incubated for 45 mins by Kinobead based pull down assay
50022496	1987	ChEMBL_2516018	Binding affinity to human YES1 incubated for 45 mins by Kinobead based pull down assay
50022496	1988	ChEMBL_2516019	Binding affinity to human YIPF5 incubated for 45 mins by Kinobead based pull down assay
50022496	1989	ChEMBL_2516021	Binding affinity to human YWHAB incubated for 45 mins by Kinobead based pull down assay
50022496	1990	ChEMBL_2516022	Binding affinity to human YWHAE incubated for 45 mins by Kinobead based pull down assay
50022496	1991	ChEMBL_2516023	Binding affinity to human YWHAG incubated for 45 mins by Kinobead based pull down assay
50022496	1992	ChEMBL_2516024	Binding affinity to human YWHAH incubated for 45 mins by Kinobead based pull down assay
50022496	1993	ChEMBL_2516025	Binding affinity to human YWHAQ incubated for 45 mins by Kinobead based pull down assay
50022496	1994	ChEMBL_2516026	Binding affinity to human YWHAZ incubated for 45 mins by Kinobead based pull down assay
50022496	1995	ChEMBL_2516027	Binding affinity to human ZAK incubated for 45 mins by Kinobead based pull down assay
50022496	1996	ChEMBL_2516028	Binding affinity to human ZC3H11A incubated for 45 mins by Kinobead based pull down assay
50022496	1997	ChEMBL_2516029	Binding affinity to human ZC3H18 incubated for 45 mins by Kinobead based pull down assay
50022496	1998	ChEMBL_2516030	Binding affinity to human ZC3HAV1 incubated for 45 mins by Kinobead based pull down assay
50022496	1999	ChEMBL_2516031	Binding affinity to human ZC3HAV1L incubated for 45 mins by Kinobead based pull down assay
50022496	2000	ChEMBL_2516032	Binding affinity to human ZFP3 incubated for 45 mins by Kinobead based pull down assay
50022496	2001	ChEMBL_2516033	Binding affinity to human ZFR incubated for 45 mins by Kinobead based pull down assay
50022496	2002	ChEMBL_2516034	Binding affinity to human ZKSCAN2 incubated for 45 mins by Kinobead based pull down assay
50022496	2003	ChEMBL_2516035	Binding affinity to human ZMPSTE24 incubated for 45 mins by Kinobead based pull down assay
50022496	2004	ChEMBL_2516036	Binding affinity to human ZMYND8 incubated for 45 mins by Kinobead based pull down assay
50022496	2005	ChEMBL_2516037	Binding affinity to human ZNF207 incubated for 45 mins by Kinobead based pull down assay
50022496	2006	ChEMBL_2516038	Binding affinity to human ZNF277 incubated for 45 mins by Kinobead based pull down assay
50022496	2007	ChEMBL_2516039	Binding affinity to human ZNF787 incubated for 45 mins by Kinobead based pull down assay
50022496	2008	ChEMBL_2516040	Binding affinity to human ZP1 incubated for 45 mins by Kinobead based pull down assay
50022496	2009	ChEMBL_2516041	Binding affinity to human ZW10 incubated for 45 mins by Kinobead based pull down assay
50022496	2010	ChEMBL_2516042	Binding affinity to human ZYX incubated for 45 mins by Kinobead based pull down assay
50022496	2011	ChEMBL_2516043	Binding affinity to human ABCF2 incubated for 45 mins by Kinobead based pull down assay
50022496	2012	ChEMBL_2516044	Binding affinity to human ACACB incubated for 45 mins by Kinobead based pull down assay
50022496	2013	ChEMBL_2516045	Binding affinity to human ACAD9 incubated for 45 mins by Kinobead based pull down assay
50022496	2014	ChEMBL_2516046	Binding affinity to human ADCK5 incubated for 45 mins by Kinobead based pull down assay
50022496	2015	ChEMBL_2516047	Binding affinity to human AKR1D1 incubated for 45 mins by Kinobead based pull down assay
50022496	2016	ChEMBL_2516048	Binding affinity to human ALK incubated for 45 mins by Kinobead based pull down assay
50022496	2017	ChEMBL_2516049	Binding affinity to human AP1S1 incubated for 45 mins by Kinobead based pull down assay
50022496	2018	ChEMBL_2516050	Binding affinity to human ARFIP2 incubated for 45 mins by Kinobead based pull down assay
50022496	2019	ChEMBL_2516051	Binding affinity to human ARHGEF1 incubated for 45 mins by Kinobead based pull down assay
50022496	2020	ChEMBL_2516052	Binding affinity to human ASPH incubated for 45 mins by Kinobead based pull down assay
50022496	2021	ChEMBL_2516053	Binding affinity to human ATP6V0C incubated for 45 mins by Kinobead based pull down assay
50022496	2022	ChEMBL_2516054	Binding affinity to human BAG2 incubated for 45 mins by Kinobead based pull down assay
50022496	2023	ChEMBL_2516055	Binding affinity to human BPHL incubated for 45 mins by Kinobead based pull down assay
50022496	2024	ChEMBL_2516056	Binding affinity to human C14orf166 incubated for 45 mins by Kinobead based pull down assay
50022496	2025	ChEMBL_2516057	Binding affinity to human C1QBP incubated for 45 mins by Kinobead based pull down assay
50022496	2026	ChEMBL_2516058	Binding affinity to human C9orf89 incubated for 45 mins by Kinobead based pull down assay
50022496	2027	ChEMBL_2516059	Binding affinity to human CALCOCO2 incubated for 45 mins by Kinobead based pull down assay
50022496	2028	ChEMBL_2516060	Binding affinity to human CEBPZ incubated for 45 mins by Kinobead based pull down assay
50022496	2029	ChEMBL_2516061	Binding affinity to human CLK4 incubated for 45 mins by Kinobead based pull down assay
50022496	2030	ChEMBL_2516062	Binding affinity to human CLPTM1L incubated for 45 mins by Kinobead based pull down assay
50022496	2031	ChEMBL_2516063	Binding affinity to human COG2 incubated for 45 mins by Kinobead based pull down assay
50022496	2032	ChEMBL_2516064	Binding affinity to human COX14 incubated for 45 mins by Kinobead based pull down assay
50022496	2033	ChEMBL_2516065	Binding affinity to human CPNE4 incubated for 45 mins by Kinobead based pull down assay
50022496	2034	ChEMBL_2516066	Binding affinity to human CPSF1 incubated for 45 mins by Kinobead based pull down assay
50022496	2035	ChEMBL_2516067	Binding affinity to human CROCC incubated for 45 mins by Kinobead based pull down assay
50022496	2036	ChEMBL_2516069	Binding affinity to human CSPP1 incubated for 45 mins by Kinobead based pull down assay
50022496	2037	ChEMBL_2516070	Binding affinity to human CTCF incubated for 45 mins by Kinobead based pull down assay
50022496	2038	ChEMBL_2516071	Binding affinity to human CUL5 incubated for 45 mins by Kinobead based pull down assay
50022496	2039	ChEMBL_2516072	Binding affinity to human CYFIP2 incubated for 45 mins by Kinobead based pull down assay
50022496	2040	ChEMBL_2516073	Binding affinity to human DDAH1 incubated for 45 mins by Kinobead based pull down assay
50022496	2041	ChEMBL_2516074	Binding affinity to human DHX29 incubated for 45 mins by Kinobead based pull down assay
50022496	2042	ChEMBL_2516075	Binding affinity to human DNAJC13 incubated for 45 mins by Kinobead based pull down assay
50022496	2043	ChEMBL_2516076	Binding affinity to human DNAJC9 incubated for 45 mins by Kinobead based pull down assay
50022496	2044	ChEMBL_2516077	Binding affinity to human DSG1 incubated for 45 mins by Kinobead based pull down assay
50022496	2045	ChEMBL_2516078	Binding affinity to human EIF2B5 incubated for 45 mins by Kinobead based pull down assay
50022496	2046	ChEMBL_2516079	Binding affinity to human ELMSAN1 incubated for 45 mins by Kinobead based pull down assay
50022496	2047	ChEMBL_2516080	Binding affinity to human EMC1 incubated for 45 mins by Kinobead based pull down assay
50022496	2048	ChEMBL_2516081	Binding affinity to human EML4 incubated for 45 mins by Kinobead based pull down assay
50022496	2049	ChEMBL_2516083	Binding affinity to human FLAD1 incubated for 45 mins by Kinobead based pull down assay
50022496	2050	ChEMBL_2516084	Binding affinity to human FOXK1 incubated for 45 mins by Kinobead based pull down assay
50022496	2051	ChEMBL_2516085	Binding affinity to human GFM1 incubated for 45 mins by Kinobead based pull down assay
50022496	2052	ChEMBL_2516086	Binding affinity to human GSTK1 incubated for 45 mins by Kinobead based pull down assay
50022496	2053	ChEMBL_2516087	Binding affinity to human GTF2F2 incubated for 45 mins by Kinobead based pull down assay
50022496	2054	ChEMBL_2516088	Binding affinity to human HACD2 incubated for 45 mins by Kinobead based pull down assay
50022496	2055	ChEMBL_2516089	Binding affinity to human HELZ incubated for 45 mins by Kinobead based pull down assay
50022496	2056	ChEMBL_2516090	Binding affinity to human HIST1H1D incubated for 45 mins by Kinobead based pull down assay
50022496	2057	ChEMBL_2516093	Binding affinity to human HLA-B incubated for 45 mins by Kinobead based pull down assay
50022496	2058	ChEMBL_2516094	Binding affinity to human HNRNPDL incubated for 45 mins by Kinobead based pull down assay
50022496	2059	ChEMBL_2516095	Binding affinity to human ITPR1 incubated for 45 mins by Kinobead based pull down assay
50022496	2060	ChEMBL_2516096	Binding affinity to human KDM1A incubated for 45 mins by Kinobead based pull down assay
50022496	2061	ChEMBL_2516097	Binding affinity to human KIAA1033 incubated for 45 mins by Kinobead based pull down assay
50022496	2062	ChEMBL_2516098	Binding affinity to human KIF2C incubated for 45 mins by Kinobead based pull down assay
50022496	2063	ChEMBL_2516099	Binding affinity to human KLHL6 incubated for 45 mins by Kinobead based pull down assay
50022496	2064	ChEMBL_2516100	Binding affinity to human LAMTOR3 incubated for 45 mins by Kinobead based pull down assay
50022496	2065	ChEMBL_2516101	Binding affinity to human LARP7 incubated for 45 mins by Kinobead based pull down assay
50022496	2066	ChEMBL_2516102	Binding affinity to human LMTK2 incubated for 45 mins by Kinobead based pull down assay
50022496	2067	ChEMBL_2516103	Binding affinity to human LSS incubated for 45 mins by Kinobead based pull down assay
50022496	2068	ChEMBL_2516104	Binding affinity to human LYAR incubated for 45 mins by Kinobead based pull down assay
50022496	2069	ChEMBL_2516105	Binding affinity to human MAN2B1 incubated for 45 mins by Kinobead based pull down assay
50022496	2070	ChEMBL_2516106	Binding affinity to human MBOAT1 incubated for 45 mins by Kinobead based pull down assay
50022496	2071	ChEMBL_2516107	Binding affinity to human MFAP1 incubated for 45 mins by Kinobead based pull down assay
50022496	2072	ChEMBL_2516108	Binding affinity to human MRPL21 incubated for 45 mins by Kinobead based pull down assay
50022496	2073	ChEMBL_2516109	Binding affinity to human MRPS18B incubated for 45 mins by Kinobead based pull down assay
50022496	2074	ChEMBL_2516110	Binding affinity to human MRPS2 incubated for 45 mins by Kinobead based pull down assay
50022496	2075	ChEMBL_2516111	Binding affinity to human MRPS28 incubated for 45 mins by Kinobead based pull down assay
50022496	2076	ChEMBL_2516112	Binding affinity to human MRPS34 incubated for 45 mins by Kinobead based pull down assay
50022496	2077	ChEMBL_2516113	Binding affinity to human MSI2 incubated for 45 mins by Kinobead based pull down assay
50022496	2078	ChEMBL_2516114	Binding affinity to human MT-ATP8 incubated for 45 mins by Kinobead based pull down assay
50022496	2079	ChEMBL_2516115	Binding affinity to human MYCBP incubated for 45 mins by Kinobead based pull down assay
50022496	2080	ChEMBL_2516116	Binding affinity to human MYO1G incubated for 45 mins by Kinobead based pull down assay
50022496	2081	ChEMBL_2516117	Binding affinity to human NCBP2 incubated for 45 mins by Kinobead based pull down assay
50022496	2082	ChEMBL_2516118	Binding affinity to human NDUFV2 incubated for 45 mins by Kinobead based pull down assay
50022496	2083	ChEMBL_2516119	Binding affinity to human NFKB1 incubated for 45 mins by Kinobead based pull down assay
50022496	2084	ChEMBL_2516120	Binding affinity to human NOM1 incubated for 45 mins by Kinobead based pull down assay
50022496	2085	ChEMBL_2516121	Binding affinity to human NOP58 incubated for 45 mins by Kinobead based pull down assay
50022496	2086	ChEMBL_2516122	Binding affinity to human NR3C1 incubated for 45 mins by Kinobead based pull down assay
50022496	2087	ChEMBL_2516123	Binding affinity to human OCIAD1 incubated for 45 mins by Kinobead based pull down assay
50022496	2088	ChEMBL_2516124	Binding affinity to human ORC3 incubated for 45 mins by Kinobead based pull down assay
50022496	2089	ChEMBL_2516125	Binding affinity to human PACSIN2 incubated for 45 mins by Kinobead based pull down assay
50022496	2090	ChEMBL_2516126	Binding affinity to human PARL incubated for 45 mins by Kinobead based pull down assay
50022496	2091	ChEMBL_2516127	Binding affinity to human PASK incubated for 45 mins by Kinobead based pull down assay
50022496	2092	ChEMBL_2516128	Binding affinity to human PDCD2L incubated for 45 mins by Kinobead based pull down assay
50022496	2093	ChEMBL_2516129	Binding affinity to human PEX3 incubated for 45 mins by Kinobead based pull down assay
50022496	2094	ChEMBL_2516130	Binding affinity to human PHAX incubated for 45 mins by Kinobead based pull down assay
50022496	2095	ChEMBL_2516131	Binding affinity to human PHF6 incubated for 45 mins by Kinobead based pull down assay
50022496	2096	ChEMBL_2516133	Binding affinity to human PIK3CB incubated for 45 mins by Kinobead based pull down assay
50022496	2097	ChEMBL_2516134	Binding affinity to human PIM2 incubated for 45 mins by Kinobead based pull down assay
50022496	2098	ChEMBL_2516135	Binding affinity to human PLEKHG3 incubated for 45 mins by Kinobead based pull down assay
50022496	2099	ChEMBL_2516136	Binding affinity to human PMS2 incubated for 45 mins by Kinobead based pull down assay
50022496	2100	ChEMBL_2516137	Binding affinity to human POLD3 incubated for 45 mins by Kinobead based pull down assay
50022496	2101	ChEMBL_2516138	Binding affinity to human PPHLN1 incubated for 45 mins by Kinobead based pull down assay
50022496	2102	ChEMBL_2516140	Binding affinity to human PRKCZ incubated for 45 mins by Kinobead based pull down assay
50022496	2103	ChEMBL_2516141	Binding affinity to human PROX1 incubated for 45 mins by Kinobead based pull down assay
50022496	2104	ChEMBL_2516142	Binding affinity to human PTMS incubated for 45 mins by Kinobead based pull down assay
50022496	2105	ChEMBL_2516143	Binding affinity to human PUM2 incubated for 45 mins by Kinobead based pull down assay
50022496	2106	ChEMBL_2516144	Binding affinity to human RBBP5 incubated for 45 mins by Kinobead based pull down assay
50022496	2107	ChEMBL_2516145	Binding affinity to human RBX1 incubated for 45 mins by Kinobead based pull down assay
50022496	2108	ChEMBL_2516146	Binding affinity to human RCN1 incubated for 45 mins by Kinobead based pull down assay
50022496	2109	ChEMBL_2516147	Binding affinity to human RFC1 incubated for 45 mins by Kinobead based pull down assay
50022496	2110	ChEMBL_2516148	Binding affinity to human RNF5 incubated for 45 mins by Kinobead based pull down assay
50022496	2111	ChEMBL_2516151	Binding affinity to human RPS6KB1 incubated for 45 mins by Kinobead based pull down assay
50022496	2112	ChEMBL_2516152	Binding affinity to human RSU1 incubated for 45 mins by Kinobead based pull down assay
50022496	2113	ChEMBL_2516153	Binding affinity to human SDC2 incubated for 45 mins by Kinobead based pull down assay
50022496	2114	ChEMBL_2516154	Binding affinity to human SDF4 incubated for 45 mins by Kinobead based pull down assay
50022496	2115	ChEMBL_2516156	Binding affinity to human SFN incubated for 45 mins by Kinobead based pull down assay
50022496	2116	ChEMBL_2516157	Binding affinity to human SIN3A incubated for 45 mins by Kinobead based pull down assay
50022496	2117	ChEMBL_2516158	Binding affinity to human SLC25A21 incubated for 45 mins by Kinobead based pull down assay
50022496	2118	ChEMBL_2516159	Binding affinity to human SMARCA1 incubated for 45 mins by Kinobead based pull down assay
50022496	2119	ChEMBL_2516160	Binding affinity to human SMEK1 incubated for 45 mins by Kinobead based pull down assay
50022496	2120	ChEMBL_2516161	Binding affinity to human SNRPF incubated for 45 mins by Kinobead based pull down assay
50022496	2121	ChEMBL_2516163	Binding affinity to human SNX2 incubated for 45 mins by Kinobead based pull down assay
50022496	2122	ChEMBL_2516164	Binding affinity to human SNX9 incubated for 45 mins by Kinobead based pull down assay
50022496	2123	ChEMBL_2516165	Binding affinity to human SPATS2L incubated for 45 mins by Kinobead based pull down assay
50022496	2124	ChEMBL_2516166	Binding affinity to human SRP19 incubated for 45 mins by Kinobead based pull down assay
50022496	2125	ChEMBL_2516167	Binding affinity to human SRSF9 incubated for 45 mins by Kinobead based pull down assay
50022496	2126	ChEMBL_2516168	Binding affinity to human STRA6 incubated for 45 mins by Kinobead based pull down assay
50022496	2127	ChEMBL_2516169	Binding affinity to human STRADA incubated for 45 mins by Kinobead based pull down assay
50022496	2128	ChEMBL_2516170	Binding affinity to human TBL3 incubated for 45 mins by Kinobead based pull down assay
50022496	2129	ChEMBL_2516171	Binding affinity to human TEKT1 incubated for 45 mins by Kinobead based pull down assay
50022496	2130	ChEMBL_2516172	Binding affinity to human TESK1 incubated for 45 mins by Kinobead based pull down assay
50022496	2131	ChEMBL_2516173	Binding affinity to human TEX10 incubated for 45 mins by Kinobead based pull down assay
50022496	2132	ChEMBL_2516174	Binding affinity to human TFB2M incubated for 45 mins by Kinobead based pull down assay
50022496	2133	ChEMBL_2516175	Binding affinity to human TIMM10 incubated for 45 mins by Kinobead based pull down assay
50022496	2134	ChEMBL_2516177	Binding affinity to human TMEM57 incubated for 45 mins by Kinobead based pull down assay
50022496	2135	ChEMBL_2516178	Binding affinity to human TUBB4A incubated for 45 mins by Kinobead based pull down assay
50022496	2136	ChEMBL_2516179	Binding affinity to human UBE2G2 incubated for 45 mins by Kinobead based pull down assay
50022496	2137	ChEMBL_2516180	Binding affinity to human USP24 incubated for 45 mins by Kinobead based pull down assay
50022496	2138	ChEMBL_2516181	Binding affinity to human USP9X incubated for 45 mins by Kinobead based pull down assay
50022496	2139	ChEMBL_2516184	Binding affinity to human VPS51 incubated for 45 mins by Kinobead based pull down assay
50022496	2140	ChEMBL_2516185	Binding affinity to human WDR12 incubated for 45 mins by Kinobead based pull down assay
50022496	2141	ChEMBL_2516186	Binding affinity to human XPO4 incubated for 45 mins by Kinobead based pull down assay
50022496	2142	ChEMBL_2516187	Binding affinity to human YBX3 incubated for 45 mins by Kinobead based pull down assay
50022496	2143	ChEMBL_2516188	Binding affinity to human YIF1A incubated for 45 mins by Kinobead based pull down assay
50022496	2144	ChEMBL_2516189	Binding affinity to human YTHDF2 incubated for 45 mins by Kinobead based pull down assay
50022496	2145	ChEMBL_2516190	Binding affinity to human ZCCHC8 incubated for 45 mins by Kinobead based pull down assay
50022496	2146	ChEMBL_2516191	Binding affinity to human ZNF436-AS1 incubated for 45 mins by Kinobead based pull down assay
50022496	2147	ChEMBL_2516193	Binding affinity to human HADH incubated for 45 mins by Kinobead based pull down assay
50022496	2148	ChEMBL_2516194	Binding affinity to human SRPR incubated for 45 mins by Kinobead based pull down assay
50022496	2149	ChEMBL_2516195	Binding affinity to human MRPL9 incubated for 45 mins by Kinobead based pull down assay
50022497	1	ChEMBL_2516197	Inhibition of CSF1R (unknown origin)
50022497	2	ChEMBL_2516198	Inhibition of FLT3 (unknown origin)
50022497	3	ChEMBL_2516199	Inhibition of KIT (unknown origin)
50022497	4	ChEMBL_2516200	Inhibition of AURKC (unknown origin)
50022497	5	ChEMBL_2516201	Inhibition of KDR (unknown origin)
50022497	6	ChEMBL_2516202	Inhibition of ABL1 (unknown origin)
50022497	7	ChEMBL_2516203	Inhibition of ABL2 (unknown origin)
50022497	8	ChEMBL_2516204	Inhibition of ACVR1B (unknown origin)
50022497	9	ChEMBL_2516205	Inhibition of ADRBK1 (unknown origin)
50022497	10	ChEMBL_2516206	Inhibition of ADRBK2 (unknown origin)
50022497	11	ChEMBL_2516207	Inhibition of AKT1 (unknown origin)
50022497	12	ChEMBL_2516208	Inhibition of AKT2 (unknown origin)
50022497	13	ChEMBL_2516209	Inhibition of AKT3 (unknown origin)
50022497	14	ChEMBL_2516210	Inhibition of ALK (unknown origin)
50022497	15	ChEMBL_2516211	Inhibition of AMPK_A1/B1/G1 (unknown origin)
50022497	16	ChEMBL_2516212	Inhibition of AMPK_A2/B1/G1 (unknown origin)
50022497	17	ChEMBL_2516213	Inhibition of AURKA (unknown origin)
50022497	18	ChEMBL_2516214	Inhibition of AURKB (unknown origin)
50022497	19	ChEMBL_2516215	Inhibition of AXL (unknown origin)
50022497	20	ChEMBL_2516216	Inhibition of BLK (unknown origin)
50022497	21	ChEMBL_2516217	Inhibition of BMX (unknown origin)
50022497	22	ChEMBL_2516218	Inhibition of BRSK1 (unknown origin)
50022497	23	ChEMBL_2516219	Inhibition of BTK (unknown origin)
50022497	24	ChEMBL_2516220	Inhibition of CAMK1 (unknown origin)
50022497	25	ChEMBL_2516221	Inhibition of CAMK1D (unknown origin)
50022497	26	ChEMBL_2516222	Inhibition of CAMK2A (unknown origin)
50022497	27	ChEMBL_2516223	Inhibition of CAMK2B (unknown origin)
50022497	28	ChEMBL_2516224	Inhibition of CAMK2D (unknown origin)
50022497	29	ChEMBL_2516225	Inhibition of CAMK4 (unknown origin)
50022497	30	ChEMBL_2516226	Inhibition of CDC42_BPA (unknown origin)
50022497	31	ChEMBL_2516227	Inhibition of CDC42_BPB (unknown origin)
50022497	32	ChEMBL_2516228	Inhibition of CDK1/CyclinB (unknown origin)
50022497	33	ChEMBL_2516230	Inhibition of CDK5_p25 (unknown origin)
50022497	34	ChEMBL_2516231	Inhibition of CDK5_p35 (unknown origin)
50022497	35	ChEMBL_2516232	Inhibition of CDK7/CyclinH/MNAT1 (unknown origin)
50022497	36	ChEMBL_2516233	Inhibition of CDK9/CyclinT1 (unknown origin)
50022497	37	ChEMBL_2516234	Inhibition of CHEK1 (unknown origin)
50022497	38	ChEMBL_2516235	Inhibition of CHUK (unknown origin)
50022497	39	ChEMBL_2516236	Inhibition of CLK2 (unknown origin)
50022497	40	ChEMBL_2516237	Inhibition of CSK (unknown origin)
50022497	41	ChEMBL_2516238	Inhibition of CSNK1A1 (unknown origin)
50022497	42	ChEMBL_2516239	Inhibition of CSNK1D (unknown origin)
50022497	43	ChEMBL_2516240	Inhibition of CSNK1E (unknown origin)
50022497	44	ChEMBL_2516241	Inhibition of CSNK1G1 (unknown origin)
50022497	45	ChEMBL_2516242	Inhibition of CSNK1G2 (unknown origin)
50022497	46	ChEMBL_2516243	Inhibition of CSNK1G3 (unknown origin)
50022497	47	ChEMBL_2516244	Inhibition of CSNK2A1 (unknown origin)
50022497	48	ChEMBL_2516245	Inhibition of CSNK2A2 (unknown origin)
50022497	49	ChEMBL_2516246	Inhibition of DAPK1 (unknown origin)
50022497	50	ChEMBL_2516247	Inhibition of DAPK3 (unknown origin)
50022497	51	ChEMBL_2516248	Inhibition of DYRK1A (unknown origin)
50022497	52	ChEMBL_2516249	Inhibition of DYRK1B (unknown origin)
50022497	53	ChEMBL_2516250	Inhibition of DYRK3 (unknown origin)
50022497	54	ChEMBL_2516251	Inhibition of DYRK4 (unknown origin)
50022497	55	ChEMBL_2516252	Inhibition of EEF2K (unknown origin)
50022497	56	ChEMBL_2516253	Inhibition of EGFR (unknown origin)
50022497	57	ChEMBL_2516254	Inhibition of EPHA1 (unknown origin)
50022497	58	ChEMBL_2516255	Inhibition of EPHA2 (unknown origin)
50022497	59	ChEMBL_2516256	Inhibition of EPHA3 (unknown origin)
50022497	60	ChEMBL_2516257	Inhibition of EPHA5 (unknown origin)
50022497	61	ChEMBL_2516258	Inhibition of EPHA8 (unknown origin)
50022497	62	ChEMBL_2516259	Inhibition of EPHB1 (unknown origin)
50022497	63	ChEMBL_2516260	Inhibition of EPHB2 (unknown origin)
50022497	64	ChEMBL_2516261	Inhibition of EPHB3 (unknown origin)
50022497	65	ChEMBL_2516262	Inhibition of EPHB4 (unknown origin)
50022497	66	ChEMBL_2516263	Inhibition of ERBB2 (unknown origin)
50022497	67	ChEMBL_2516264	Inhibition of ERBB4 (unknown origin)
50022497	68	ChEMBL_2516265	Inhibition of FER (unknown origin)
50022497	69	ChEMBL_2516266	Inhibition of FES (unknown origin)
50022497	70	ChEMBL_2516267	Inhibition of FGFR1 (unknown origin)
50022497	71	ChEMBL_2516268	Inhibition of FGFR2 (unknown origin)
50022497	72	ChEMBL_2516269	Inhibition of FGFR3 (unknown origin)
50022497	73	ChEMBL_2516270	Inhibition of FGFR4 (unknown origin)
50022497	74	ChEMBL_2516271	Inhibition of FGR (unknown origin)
50022497	75	ChEMBL_2516272	Inhibition of FLT4 (unknown origin)
50022497	76	ChEMBL_2516273	Inhibition of FRAP1 (unknown origin)
50022497	77	ChEMBL_2516274	Inhibition of FRK (unknown origin)
50022497	78	ChEMBL_2516275	Inhibition of FYN (unknown origin)
50022497	79	ChEMBL_2516276	Inhibition of GRK4 (unknown origin)
50022497	80	ChEMBL_2516277	Inhibition of GRK5 (unknown origin)
50022497	81	ChEMBL_2516278	Inhibition of GRK6 (unknown origin)
50022497	82	ChEMBL_2516279	Inhibition of GRK7 (unknown origin)
50022497	83	ChEMBL_2516280	Inhibition of GSK3A (unknown origin)
50022497	84	ChEMBL_2516281	Inhibition of GSK3B (unknown origin)
50022497	85	ChEMBL_2516282	Inhibition of HCK (unknown origin)
50022497	86	ChEMBL_2516283	Inhibition of HIPK1 (unknown origin)
50022497	87	ChEMBL_2516284	Inhibition of HIPK2 (unknown origin)
50022497	88	ChEMBL_2516285	Inhibition of HIPK4 (unknown origin)
50022497	89	ChEMBL_2516286	Inhibition of IGF1R (unknown origin)
50022497	90	ChEMBL_2516287	Inhibition of IKBKB (unknown origin)
50022497	91	ChEMBL_2516288	Inhibition of IKBKE (unknown origin)
50022497	92	ChEMBL_2516289	Inhibition of INSR (unknown origin)
50022497	93	ChEMBL_2516290	Inhibition of IRAK4 (unknown origin)
50022497	94	ChEMBL_2516291	Inhibition of ITK (unknown origin)
50022497	95	ChEMBL_2516292	Inhibition of JAK2 (unknown origin)
50022497	96	ChEMBL_2516293	Inhibition of JAK3 (unknown origin)
50022497	97	ChEMBL_2516294	Inhibition of LCK (unknown origin)
50022497	98	ChEMBL_2516295	Inhibition of LRRK2 (unknown origin)
50022497	99	ChEMBL_2516296	Inhibition of LTK (unknown origin)
50022497	100	ChEMBL_2516297	Inhibition of LYN_A (unknown origin)
50022497	101	ChEMBL_2516298	Inhibition of LYN_B (unknown origin)
50022497	102	ChEMBL_2516299	Inhibition of MAP4K2 (unknown origin)
50022497	103	ChEMBL_2516300	Inhibition of MAP4K4 (unknown origin)
50022497	104	ChEMBL_2516301	Inhibition of MAP4K5 (unknown origin)
50022497	105	ChEMBL_2516302	Inhibition of MAPK1 (unknown origin)
50022497	106	ChEMBL_2516303	Inhibition of MAPK12 (unknown origin)
50022497	107	ChEMBL_2516304	Inhibition of MAPK13 (unknown origin)
50022497	108	ChEMBL_2516305	Inhibition of MAPK3 (unknown origin)
50022497	109	ChEMBL_2516306	Inhibition of MAPKAPK2 (unknown origin)
50022497	110	ChEMBL_2516307	Inhibition of MAPKAPK3 (unknown origin)
50022497	111	ChEMBL_2516308	Inhibition of MAPKAPK5 (unknown origin)
50022497	112	ChEMBL_2516309	Inhibition of MARK1 (unknown origin)
50022497	113	ChEMBL_2516310	Inhibition of MARK2 (unknown origin)
50022497	114	ChEMBL_2516311	Inhibition of MARK3 (unknown origin)
50022497	115	ChEMBL_2516312	Inhibition of MARK4 (unknown origin)
50022497	116	ChEMBL_2516313	Inhibition of MATK (unknown origin)
50022497	117	ChEMBL_2516314	Inhibition of MELK (unknown origin)
50022497	118	ChEMBL_2516315	Inhibition of MERTK (unknown origin)
50022497	119	ChEMBL_2516316	Inhibition of MET (unknown origin)
50022497	120	ChEMBL_2516317	Inhibition of MINK1 (unknown origin)
50022497	121	ChEMBL_2516318	Inhibition of MST1R (unknown origin)
50022497	122	ChEMBL_2516319	Inhibition of NEK1 (unknown origin)
50022497	123	ChEMBL_2516320	Inhibition of NEK2 (unknown origin)
50022497	124	ChEMBL_2516321	Inhibition of NEK6 (unknown origin)
50022497	125	ChEMBL_2516322	Inhibition of NEK9 (unknown origin)
50022497	126	ChEMBL_2516323	Inhibition of NTRK2 (unknown origin)
50022497	127	ChEMBL_2516324	Inhibition of NTRK3 (unknown origin)
50022497	128	ChEMBL_2516325	Inhibition of PAK2 (unknown origin)
50022497	129	ChEMBL_2516326	Inhibition of PAK3 (unknown origin)
50022497	130	ChEMBL_2516327	Inhibition of PAK4 (unknown origin)
50022497	131	ChEMBL_2516328	Inhibition of PAK6 (unknown origin)
50022497	132	ChEMBL_2516329	Inhibition of PAK7 (unknown origin)
50022497	133	ChEMBL_2516330	Inhibition of PDGFRA (unknown origin)
50022497	134	ChEMBL_2516331	Inhibition of PDGFRB (unknown origin)
50022497	135	ChEMBL_2516332	Inhibition of PHKG1 (unknown origin)
50022497	136	ChEMBL_2516333	Inhibition of PHKG2 (unknown origin)
50022497	137	ChEMBL_2516334	Inhibition of PI4KB (unknown origin)
50022497	138	ChEMBL_2516335	Inhibition of PIK3C3 (unknown origin)
50022497	139	ChEMBL_2516336	Inhibition of PIK3CA/PIK3R1 (unknown origin)
50022497	140	ChEMBL_2516337	Inhibition of PIK3CD/PIK3R1 (unknown origin)
50022497	141	ChEMBL_2516338	Inhibition of PIK3CG (unknown origin)
50022497	142	ChEMBL_2516339	Inhibition of PIM1 (unknown origin)
50022497	143	ChEMBL_2516340	Inhibition of PIM2 (unknown origin)
50022497	144	ChEMBL_2516341	Inhibition of PKN1 (unknown origin)
50022497	145	ChEMBL_2516342	Inhibition of PLK1 (unknown origin)
50022497	146	ChEMBL_2516343	Inhibition of PLK2 (unknown origin)
50022497	147	ChEMBL_2516344	Inhibition of PLK3 (unknown origin)
50022497	148	ChEMBL_2516345	Inhibition of PRKACA (unknown origin)
50022497	149	ChEMBL_2516346	Inhibition of PRKCA (unknown origin)
50022497	150	ChEMBL_2516347	Inhibition of PRKCB1 (unknown origin)
50022497	151	ChEMBL_2516348	Inhibition of PRKCB2 (unknown origin)
50022497	152	ChEMBL_2516349	Inhibition of PRKCD (unknown origin)
50022497	153	ChEMBL_2516350	Inhibition of PRKCE (unknown origin)
50022497	154	ChEMBL_2516351	Inhibition of PRKCG (unknown origin)
50022497	155	ChEMBL_2516352	Inhibition of PRKCH (unknown origin)
50022497	156	ChEMBL_2516353	Inhibition of PRKCI (unknown origin)
50022497	157	ChEMBL_2516354	Inhibition of PRKCN (unknown origin)
50022497	158	ChEMBL_2516355	Inhibition of PRKCQ (unknown origin)
50022497	159	ChEMBL_2516356	Inhibition of PRKCZ (unknown origin)
50022497	160	ChEMBL_2516357	Inhibition of PRKD1 (unknown origin)
50022497	161	ChEMBL_2516358	Inhibition of PRKD2 (unknown origin)
50022497	162	ChEMBL_2516359	Inhibition of PRKG1 (unknown origin)
50022497	163	ChEMBL_2516360	Inhibition of PRKG2 (unknown origin)
50022497	164	ChEMBL_2516361	Inhibition of PRKX (unknown origin)
50022497	165	ChEMBL_2516362	Inhibition of PTK2B (unknown origin)
50022497	166	ChEMBL_2516363	Inhibition of RET (unknown origin)
50022497	167	ChEMBL_2516364	Inhibition of RET V804L mutant (unknown origin)
50022497	168	ChEMBL_2516365	Inhibition of RET Y791F mutant (unknown origin)
50022497	169	ChEMBL_2516366	Inhibition of ROCK1 (unknown origin)
50022497	170	ChEMBL_2516367	Inhibition of ROCK2 (unknown origin)
50022497	171	ChEMBL_2516368	Inhibition of RPS6KA1 (unknown origin)
50022497	172	ChEMBL_2516369	Inhibition of RPS6KA2 (unknown origin)
50022497	173	ChEMBL_2516370	Inhibition of RPS6KA3 (unknown origin)
50022497	174	ChEMBL_2516371	Inhibition of RPS6KA4 (unknown origin)
50022497	175	ChEMBL_2516372	Inhibition of RPS6KA5 (unknown origin)
50022497	176	ChEMBL_2516373	Inhibition of RPS6KA6 (unknown origin)
50022497	177	ChEMBL_2516374	Inhibition of RPS6KB1 (unknown origin)
50022497	178	ChEMBL_2516375	Inhibition of SGK (unknown origin)
50022497	179	ChEMBL_2516376	Inhibition of SGK2 (unknown origin)
50022497	180	ChEMBL_2516377	Inhibition of SGKL (unknown origin)
50022497	181	ChEMBL_2516378	Inhibition of SNF1LK2 (unknown origin)
50022497	182	ChEMBL_2516379	Inhibition of SPHK1 (unknown origin)
50022497	183	ChEMBL_2516380	Inhibition of SRC (unknown origin)
50022497	184	ChEMBL_2516381	Inhibition of SRCN1 (unknown origin)
50022497	185	ChEMBL_2516382	Inhibition of SRPK1 (unknown origin)
50022497	186	ChEMBL_2516383	Inhibition of SRPK2 (unknown origin)
50022497	187	ChEMBL_2516384	Inhibition of STK22B (unknown origin)
50022497	188	ChEMBL_2516385	Inhibition of STK22D (unknown origin)
50022497	189	ChEMBL_2516386	Inhibition of STK25 (unknown origin)
50022497	190	ChEMBL_2516387	Inhibition of STK4 (unknown origin)
50022497	191	ChEMBL_2516388	Inhibition of SYK (unknown origin)
50022497	192	ChEMBL_2516389	Inhibition of TBK1 (unknown origin)
50022497	193	ChEMBL_2516390	Inhibition of TEK (unknown origin)
50022497	194	ChEMBL_2516391	Inhibition of TYRO3 (unknown origin)
50022497	195	ChEMBL_2516392	Inhibition of YES1 (unknown origin)
50022497	196	ChEMBL_2516393	Inhibition of ZAP70 (unknown origin)
50022497	197	ChEMBL_2516396	Inhibition of CSF1R (unknown origin) in presence of 100 uM ATP by enzymatic assay
50022497	198	ChEMBL_2516399	Inhibition of CSF1R (unknown origin) expressed in mouse NFS-60 cells assessed as inhibition of CSF1-CSF1R dependent cell proliferation incubated for 3 days by ATPlite 1step Luminescence Assay reagent based assay
50022497	199	ChEMBL_2516400	Inhibition of CSF1R (unknown origin) expressed in mouse EOC 20 cells assessed as inhibition of CSF1-CSF1R dependent cell proliferation incubated for 3 days by ATPlite 1step Luminescence Assay reagent based assay
50022497	200	ChEMBL_2516401	Inhibition of CSF1R autophosphorylation in human THP-1 cells
50022497	201	ChEMBL_2516402	Inhibition of KIT (unknown origin) in presence of ATP by enzymatic assay
50022497	202	ChEMBL_2516405	Inhibition of endogenous KIT in human M-07e cells assessed as inhibition of SCF-KIT dependent cell proliferation incubated for 3 days by ATPlite 1step Luminescence Assay reagent based assay
50022497	203	ChEMBL_2516406	Inhibition of FLT3 (unknown origin) in presence of ATP by enzymatic assay
50022497	204	ChEMBL_2516407	Inhibition of FLT3-ITD (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-ITD dependent cell proliferation incubated for 3 days by ATPlite 1step Luminescence Assay reagent based assay
50022497	205	ChEMBL_2516408	Inhibition of FLT3 (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3 ligand-FLT3 dependent cell proliferation incubated for 3 days by ATPlite 1step Luminescence Assay reagent based assay
50022498	1	ChEMBL_2516773	Binding affinity to ETA receptor (unknown origin) assessed as inhibition constant
50022498	2	ChEMBL_2516774	Binding affinity to ETB receptor (unknown origin) assessed as inhibition constant
50022498	3	ChEMBL_2516779	Binding affinity to human ETA receptor transfected in CHO cell membrane assessed as inhibition constant incubated for 4 hrs by 125I-labelled ET-1 saturation binding assay
50022498	4	ChEMBL_2516780	Binding affinity to human ETB receptor transfected in CHO cell membrane assessed as inhibition constant incubated for 4 hrs by 125I-labelled ET-1 saturation binding assay
50022498	5	ChEMBL_2516784	Binding affinity to human ETA receptor transfected in CHO cell membrane assessed as inhibition constant incubated for 3 hrs by 125I-labelled ET-1 saturation binding assay
50022498	6	ChEMBL_2516785	Binding affinity to human ETB receptor transfected in CHO cell membrane assessed as inhibition constant incubated for 3 hrs by 125I-labelled ET-1 saturation binding assay
50022499	1	ChEMBL_2516787	Inhibition of EGFR in human A-431 cells membrane using peptide substrate pre incubated for 30 mins followed by ATP/peptide substrate addition and measured after 10 mins in presence of EGF by scintillation counting method
50022499	2	ChEMBL_2516788	Inhibition of EGFR (unknown origin) expressed in baculovirus system using poly(glu, ala, tyr) as substrate incubated for 20 mins by ELISA
50022499	3	ChEMBL_2516789	Inhibition of ERBB2 (unknown origin) expressed in baculovirus system using poly(glu, ala, tyr) as substrate incubated for 20 mins by ELISA
50022499	4	ChEMBL_2516790	Inhibition of C-terminal cytoplasmic domain human KDR expressed in baculovirus infected Sf21 cells using poly(glu, ala, tyr) as substrate incubated for 20 mins by ELISA
50022499	5	ChEMBL_2516791	Inhibition of C-terminal cytoplasmic domain human FLT-1 expressed in baculovirus infected Sf9 cells using poly(glu, ala, tyr) as substrate incubated for 20 mins by ELISA
50022499	6	ChEMBL_2516792	Inhibition of Raf (unknown origin)
50022499	7	ChEMBL_2516793	Inhibition of MEK1 (unknown origin)
50022499	8	ChEMBL_2516794	Inhibition of ERK2 (unknown origin)
50022499	9	ChEMBL_2516806	Competitive inhibition of EGFR (unknown origin) in presence of ATP
50022499	10	ChEMBL_2516807	Non-competitive inhibition of EGFR (unknown origin) in presence of ATP
50022500	1	ChEMBL_2516840	Inhibition of GST-tagged IKK1 (unknown origin) expressed in High five cells using LDDRHDSGLDSMKDEEY as substrate incubated for 5 mins in presence of [gamma33P]ATP by liquid scintillation counter analysis
50022503	1	ChEMBL_2516895	Inhibition of glutathione S-transferase fused Met (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	2	ChEMBL_2516896	Inhibition of glutathione S-transferase fused Flk1 (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	3	ChEMBL_2516897	Inhibition of glutathione S-transferase fused EGFR (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	4	ChEMBL_2516898	Inhibition of glutathione S-transferase fused PDGFbetaR (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	5	ChEMBL_2516899	Inhibition of glutathione S-transferase fused Tie2 (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	6	ChEMBL_2516900	Inhibition of glutathione S-transferase fused c-Src (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	7	ChEMBL_2516901	Inhibition of glutathione S-transferase fused CDK2 (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	8	ChEMBL_2516902	Inhibition of glutathione S-transferase fused FGFR1 (unknown origin) catalytic activity infected in Sf9 cells using poly-Glu-Tyr (4:1) as substrate
50022503	9	ChEMBL_2516926	Inhibition of HGF-dependent Met (unknown origin) phosphorylation
50022504	1	ChEMBL_2516954	Inhibition of purified ErbB1 (unknown origin)
50022504	2	ChEMBL_2516955	Inhibition of purified ErbB2 (unknown origin)
50022504	3	ChEMBL_2516956	Inhibition of purified ErbB4 (unknown origin)
50022504	4	ChEMBL_2516959	Inhibition of purified INSR (unknown origin)
50022504	5	ChEMBL_2516960	Inhibition of purified Pp60Src (unknown origin)
50022504	6	ChEMBL_2516961	Inhibition of purified PKC (unknown origin)
50022504	7	ChEMBL_2516962	Inhibition of purified CDK4/Cyclin D1 (unknown origin)
50022504	8	ChEMBL_2516964	Inhibition of purified CDK1/Cyclin B (unknown origin)
50022505	1	ChEMBL_2516965	Inhibition of GST tagged human IGF-IR expressed in baculovirus at pH 7.6 measured after 20 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	2	ChEMBL_2516966	Inhibition of GST tagged human Ins-R expressed in baculovirus at pH 7.6 measured after 20 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	3	ChEMBL_2516967	Inhibition of GST tagged human HER-1 expressed in baculovirus at pH 7.5 measured after 15 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	4	ChEMBL_2516968	Inhibition of GST tagged human HER-2 expressed in baculovirus at pH 7.5 measured after 15 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	5	ChEMBL_2516969	Inhibition of GST tagged human HER-4 expressed in baculovirus at pH 7.5 measured after 15 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	6	ChEMBL_2516970	Inhibition of GST tagged KDR (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	7	ChEMBL_2516971	Inhibition of GST tagged Tek (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	8	ChEMBL_2516972	Inhibition of GST tagged PDGFR-beta (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	9	ChEMBL_2516973	Inhibition of GST tagged c-Met (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	10	ChEMBL_2516974	Inhibition of GST tagged c-Abl (unknown origin) expressed in baculovirus infected Sf9 cells at pH 7.5 measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	11	ChEMBL_2516975	Inhibition of GST tagged chicken c-Src expressed in baculovirus at pH 7.5 measured after 10 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	12	ChEMBL_2516976	Inhibition of GST tagged c-Kit (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	13	ChEMBL_2516977	Inhibition of GST tagged human Flt-4 expressed in baculovirus at pH 7.6 measured after 15 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	14	ChEMBL_2516978	Inhibition of GST tagged Flt-1 (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	15	ChEMBL_2516979	Inhibition of GST tagged human Flt-3 expressed in baculovirus at pH 7.6 measured after 15 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	16	ChEMBL_2516980	Inhibition of GST tagged FGFR-1 (unknown origin) expressed in baculovirus at pH 7.6 measured after 10 to 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	17	ChEMBL_2516981	Inhibition of human PKB expressed in baculovirus at pH 7.2 measured after 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	18	ChEMBL_2516983	Inhibition of PDK1 (unknown origin)
50022505	19	ChEMBL_2516984	Inhibition of GST-tagged c-Raf-1 (unknown origin) expressed in baculovirus infected in Sf21 cells at pH 7.5 measured after 30 mins in presence of gamma-[33P]-ATP by scintillation counter analysis
50022505	20	ChEMBL_2516986	Inhibition of human IGF-IR in mouse NWT-21 cells assessed as inhibition of autophosphorylation of IGF-IR at pH 7.2 incubated for 90 mins followed by IGF1 stimulation measured after 10 mins by ELISA analysis
50022505	21	ChEMBL_2516987	Inhibition of Ins-R in A14 [Human melanoma] cells assessed as inhibition of autophosphorylation of Ins-R incubated for 90 mins followed by insulin stimulation measured after 10 mins by ELISA analysis
50022505	22	ChEMBL_2516988	Inhibition of HER-1 in human A-431 cells assessed as inhibition of autophosphorylation of HER-1 incubated for 90 mins followed by EGF stimulation measured after 10 mins in presence of anti-EGFR Ab5 by ELISA analysis
50022505	23	ChEMBL_2516990	Inhibition of c-Kit (unknown origin) in human GIST882 cells assessed as inhibition of autophosphorylation of c-Kit incubated for 90 mins in presence of anti-CD117 antibody by ELISA analysis
50022505	24	ChEMBL_2516991	Inhibition of Bcr-Abl (unknown origin) in mouse 32D cells assessed as inhibition of autophosphorylation of Bcr-Abl incubated for 90 mins in presence of anti-abl-SH3 domain by ELISA analysis
50022505	25	ChEMBL_2516992	Inhibition of IGF-IR in human MCF7 cells expressing IGF-I assessed as cell survival in the absence of serum incubated for 72 hrs by MTS assay
50022505	26	ChEMBL_2516993	Inhibition of IGF-IR in human MCF7 cells assessed as inhibition of anchorage-independent growth incubated for 30 mins and measured after 3 weeks by crystal violet staining based soft agar assay
50022505	27	ChEMBL_2516994	Inhibition of human IGF-IR expressed in mouse NWT-21 cells assessed as inhibition of proliferative capacity incubated for 72 hrs in presence of serum by methylene blue staining based assay
50022506	1	ChEMBL_2517015	Inhibition of Aurora B (unknown origin)
50022506	2	ChEMBL_2517016	Inhibition of Aurora A (unknown origin)
50022507	1	ChEMBL_2517120	Inhibition of CDK2/Cyclin E (unknown origin)
50022507	2	ChEMBL_2517121	Inhibition of CDK7/Cyclin H (unknown origin)
50022507	3	ChEMBL_2517122	Inhibition of CDK9/Cyclin T (unknown origin)
50022507	4	ChEMBL_2517123	Inhibition of CDK5/p35 (unknown origin)
50022507	5	ChEMBL_2517124	Inhibition of CDK1/Cyclin B (unknown origin)
50022507	6	ChEMBL_2517127	Inhibition of GSK3alpha (unknown origin)
50022507	7	ChEMBL_2517128	Inhibition of GSK3beta (unknown origin)
50022507	8	ChEMBL_2517129	Inhibition of human PKC delta
50022507	9	ChEMBL_2517130	Inhibition of human PKC epsilon
50022507	10	ChEMBL_2517131	Inhibition of human DYRK1A
50022507	11	ChEMBL_2517132	Inhibition of human ERK2
50022507	12	ChEMBL_2517133	Binding affinity to CDK1/Cyclin B (unknown origin) assessed as apparent inhibition constant
50022507	13	ChEMBL_2517141	Inhibition of CDK7 in human RPMI-8226 assessed as decreased phosphorylation of RNA Pol II-CTD on Ser5 at 0.17 to 10 uM incubated for 16 hrs by Hoechst 33342 staining based immunofluorescence analysis
50022507	14	ChEMBL_2517142	Inhibition of CDK9 in human RPMI-8226 assessed as decreased phosphorylation of RNA Pol II-CTD on Ser2 at 0.17 to 10 uM incubated for 16 hrs by Hoechst 33342 staining based immunofluorescence analysis
50022508	1	ChEMBL_2517183	Inhibition of human AurA/TPX2 in PBS using Biotin-Ahx-RARRRLSFFFFAKKK-NH2 as substrate incubated for 30 mins in presence of ATP by LEADseeker assay
50022508	2	ChEMBL_2517184	Inhibition of human AurB/INCENP in PBS using Biotin-Ahx-RARRRLSFFFFAKKK-NH2 as substrate incubated for 30 mins in presence of ATP
50022508	3	ChEMBL_2517185	Inhibition of human AurC/INCENP in PBS using Biotin-Ahx-RARRRLSFFFFAKKK-NH2 as substrate incubated for 30 mins in presence of ATP
50022508	4	ChEMBL_2517186	Inhibition of FLT1 (unknown origin)
50022508	5	ChEMBL_2517187	Inhibition of TIE2 (unknown origin)
50022508	6	ChEMBL_2517188	Inhibition of SIK (unknown origin)
50022508	7	ChEMBL_2517189	Inhibition of FLT4 (unknown origin)
50022508	8	ChEMBL_2517190	Inhibition of FGFR1 (unknown origin)
50022508	9	ChEMBL_2517193	Binding affinity to human AurB/INCENP assessed as inhibition constant using aurora sox peptide as substrate incubated for 60 mins in presence of ATP by fluorescence based assay
50022508	10	ChEMBL_2517197	Binding affinity to human AurA/TPX2 assessed as inhibition constant using aurora sox peptide as substrate incubated for 60 mins in presence of ATP by fluorescence based assay
50022508	11	ChEMBL_2517198	Binding affinity to human AurC/INCENP assessed as inhibition constant using aurora sox peptide as substrate incubated for 60 mins in presence of ATP by fluorescence based assay
50022509	1	ChEMBL_2517210	Inhibition of recombinant human HDAC6 using fluorogenic RHKKAc peptide as substrate by fluorescence assay
50022510	1	ChEMBL_2517233	Inhibition of p110 alpha (unknown origin)
50022510	2	ChEMBL_2517234	Inhibition of p110 beta (unknown origin)
50022510	3	ChEMBL_2517235	Inhibition of p110 delta (unknown origin)
50022510	4	ChEMBL_2517236	Inhibition of p110 gamma (unknown origin)
50022510	5	ChEMBL_2517237	Inhibition of human recombinant PI3K alpha using ethylenediaminetetraacetic and PIP2 as a substrate incubated for 20 mins in presence of ATP by HTRF assay
50022510	6	ChEMBL_2517238	Inhibition of human recombinant PI3K beta using ethylenediaminetetraacetic and PIP2 as a substrate incubated for 20 mins in presence of ATP by HTRF assay
50022510	7	ChEMBL_2517239	Inhibition of human recombinant PI3K delta using ethylenediaminetetraacetic and PIP2 as a substrate incubated for 20 mins in presence of ATP by HTRF assay
50022510	8	ChEMBL_2517240	Inhibition of human recombinant PI3K gamma using ethylenediaminetetraacetic and PIP2 as a substrate incubated for 20 mins in presence of ATP by HTRF assay
50022511	1	ChEMBL_2517280	Competitive inhibition of mTORC1 immunoprecipitated from human HeLa cells using His-tagged 4E-BP1 as substrate incubated for 30 mins in presence of ATP by chemiluminescence based ELISA
50022511	2	ChEMBL_2517281	Competitive inhibition of mTORC2 immunoprecipitated from human HeLa cells using His-tagged 4E-BP1 as substrate incubated for 30 mins in presence of ATP by chemiluminescence based ELISA
50022511	3	ChEMBL_2517282	Inhibition of mTOR (unknown origin)
50022511	4	ChEMBL_2517283	Inhibition of PI3Kalpha (unknown origin) in presence of ATP by HTRF assay
50022511	5	ChEMBL_2517284	Inhibition of PI3Kbeta (unknown origin) in presence of ATP by HTRF assay
50022511	6	ChEMBL_2517285	Inhibition of PI3Kgamma (unknown origin) in presence of ATP by HTRF assay
50022511	7	ChEMBL_2517286	Inhibition of DNA-PK activity (unknown origin) presence of ATP
50022511	8	ChEMBL_2517353	Inhibition of VEGFR2 (unknown origin)
50022512	1	ChEMBL_2517384	Inhibition of human FAAH assessed as kinact/Ki ratio incubated for 1 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	2	ChEMBL_2517385	Inhibition of human FAAH assessed as kinact/Ki ratio incubated for 15 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	3	ChEMBL_2517386	Inhibition of human FAAH assessed as kinact/Ki ratio incubated for 30 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	4	ChEMBL_2517387	Inhibition of human FAAH assessed as kinact/Ki ratio incubated for 60 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	5	ChEMBL_2517388	Inhibition of rat FAAH assessed as kinact/Ki ratio incubated for 1 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	6	ChEMBL_2517389	Inhibition of rat FAAH assessed as kinact/Ki ratio incubated for 15 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	7	ChEMBL_2517390	Inhibition of rat FAAH assessed as kinact/Ki ratio incubated for 30 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022512	8	ChEMBL_2517391	Inhibition of rat FAAH assessed as kinact/Ki ratio incubated for 60 min in presence of glutamate dehydrogenase by 384-well format microplate reader assay
50022513	1	ChEMBL_2517472	Inhibition of rat brain Ca2+/CaM kinase II alpha subunit autophosphorylation measured after 2 mins in presence of [gamma-33P]ATP by SDS-PAGE analysis
50022513	2	ChEMBL_2517473	Inhibition of rat brain Ca2+/CaM kinase II beta subunit autophosphorylation measured after 2 mins in presence of [gamma-33P]ATP by SDS-PAGE analysis
50022514	1	ChEMBL_2517500	Displacement of [3H]-Iloprost from human IP receptor assessed as inhibition constant incubated for 2 hrs by TopCount NXT counter based analysis
50022514	2	ChEMBL_2517501	Displacement of [3H]-Iloprost from human FP receptor assessed as inhibition constant incubated for 2 hrs by TopCount NXT counter based analysis
50022514	3	ChEMBL_2517502	Displacement of [3H]-Iloprost from human TP receptor assessed as inhibition constant incubated for 2 hrs by TopCount NXT counter based analysis
50022515	1	ChEMBL_2517535	Inhibition of ABL1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	2	ChEMBL_2517536	Inhibition of Ack1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	3	ChEMBL_2517537	Inhibition of AKT1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	4	ChEMBL_2517538	Inhibition of AKT2 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	5	ChEMBL_2517539	Inhibition of AKT3 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	6	ChEMBL_2517540	Inhibition of AXL (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	7	ChEMBL_2517541	Inhibition of BTK (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	8	ChEMBL_2517542	Inhibition of CHK1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	9	ChEMBL_2517543	Inhibition of MAP3K8 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	10	ChEMBL_2517546	Inhibition of HER2 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	11	ChEMBL_2517547	Inhibition of ERK1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	12	ChEMBL_2517548	Inhibition of GSK3alpha (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	13	ChEMBL_2517549	Inhibition of IGF1R (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	14	ChEMBL_2517550	Inhibition of IKKalpha (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	15	ChEMBL_2517551	Inhibition of IR (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	16	ChEMBL_2517552	Inhibition of JAK2 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	17	ChEMBL_2517553	Inhibition of VEGFR2 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	18	ChEMBL_2517554	Inhibition of LCK (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	19	ChEMBL_2517555	Inhibition of LYN (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	20	ChEMBL_2517558	Inhibition of PDGFRalpha (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	21	ChEMBL_2517559	Inhibition of PI3Kalpha (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	22	ChEMBL_2517560	Inhibition of PI3Kbeta (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	23	ChEMBL_2517561	Inhibition of PIM1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	24	ChEMBL_2517563	Inhibition of SGK1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	25	ChEMBL_2517564	Inhibition of TYRO3 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022515	26	ChEMBL_2517565	Inhibition of WEE1 (unknown origin) in the presence of [33P]ATP by kinase hotspot assay
50022516	1	ChEMBL_2517593	Inhibition of human fetal brain PDE10A2 expressed in human AD293 cells assessed as inhibition of cAMP hydrolysis by fluorescence polarization assay
50022516	2	ChEMBL_2517594	Inhibition of rat PDE10A2 assessed as inhibition of cAMP hydrolysis by fluorescence polarization assay
50022517	1	ChEMBL_2517660	Binding affinity to recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) assessed as dissociation constant by surface plasmon resonance assay
50022517	2	ChEMBL_2517661	Inhibition of recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) using [3H]-SAM as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by Topcount reader analysis
50022517	3	ChEMBL_2517705	Inhibition of human PRMT5
50022517	4	ChEMBL_2517714	Binding affinity to recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) assessed as dissociation constant by SPR analysis
50022518	1	ChEMBL_2517720	Inhibition of RON (unknown origin) by kinase profiling assay
50022518	2	ChEMBL_2517721	Inhibition of MET (unknown origin) by kinase profiling assay
50022518	3	ChEMBL_2517722	Inhibition of Tyro-3 (unknown origin) by kinase profiling assay
50022518	4	ChEMBL_2517723	Inhibition of Axl (unknown origin) by kinase profiling assay
50022518	5	ChEMBL_2517724	Inhibition of Mer (unknown origin) by kinase profiling assay
50022518	6	ChEMBL_2517725	Inhibition of Flt-3 (unknown origin) by kinase profiling assay
50022518	7	ChEMBL_2517726	Inhibition of Aurora B (unknown origin) by kinase profiling assay
50022518	8	ChEMBL_2517727	Inhibition of Lck (unknown origin) by kinase profiling assay
50022518	9	ChEMBL_2517728	Inhibition of VEGFR2 (unknown origin) by kinase profiling assay
50022518	10	ChEMBL_2517762	Inhibition of MET (unknown origin)
50022518	11	ChEMBL_2517763	Inhibition of RON (unknown origin)
50022520	1	ChEMBL_2517847	Inhibition of PAK1 (unknown origin) by Z'-LYTE functional assay
50022520	2	ChEMBL_2517848	Inhibition of PAK2 (unknown origin) by Z'-LYTE functional assay
50022520	3	ChEMBL_2517849	Inhibition of PAK3 (unknown origin) by Z'-LYTE functional assay
50022520	4	ChEMBL_2517850	Inhibition of PAK4 (unknown origin) by Z'-LYTE functional assay
50022521	1	ChEMBL_2518772	Inhibition of inactive form of IGF-1R (unknown origin) kinase domain incubated for 1 hr by [gamma-33P]ATP assay
50022522	1	ChEMBL_2520273	Binding affinity to mTORC1 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50022522	2	ChEMBL_2520275	Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr in presence of ATP by HTRF assay
50022522	3	ChEMBL_2520278	Binding affinity to p110 alpha (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	4	ChEMBL_2520279	Binding affinity to p110 beta (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	5	ChEMBL_2520280	Binding affinity to p110 delta (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	6	ChEMBL_2520281	Binding affinity to p110 gamma (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	7	ChEMBL_2520282	Binding affinity to p110 alpha E542K mutant (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	8	ChEMBL_2520283	Binding affinity to p110 alpha E545K mutant (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	9	ChEMBL_2520284	Binding affinity to p110 alpha H1047R mutant (unknown origin) assessed as inhibition constant in presence of ATP by TR-FRET assay
50022522	10	ChEMBL_2520285	Binding affinity to mTORC2 (unknown origin) assessed as apparent inhibition constant in presence of ATP by TR-FRET assay
50022522	11	ChEMBL_2520293	Inhibition of DNA-PK (unknown origin)
50022522	12	ChEMBL_2520317	Inhibition of CYP3A4 (unknown origin)
50022522	13	ChEMBL_2520318	Inhibition of CYP1A2 (unknown origin)
50022522	14	ChEMBL_2520319	Inhibition of CYP2C9 (unknown origin)
50022522	15	ChEMBL_2520320	Inhibition of CYP2C19 (unknown origin)
50022522	16	ChEMBL_2520321	Inhibition of CYP2D6 (unknown origin)
50022523	1	ChEMBL_2520334	Inhibition of PRMT3 (unknown origin) using C-terminal biotinylated histone H4 (1 to 24 residues) as substrate and SAM as cofactor in presence of [3H]-SAM by scintillation proximity assay
50022523	2	ChEMBL_2520335	Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 21 residues) as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addition and measured after 120 mins by LC-MS analysis
50022523	3	ChEMBL_2520337	Binding affinity to PRMT3 (unknown origin) assessed as dissociation constant by ITC analysis
50022523	4	ChEMBL_2520338	Binding affinity to biotinylated PRMT3 (unknown origin) assessed as dissociation constant by SPR analysis
50022523	5	ChEMBL_2520343	Binding affinity to ePL-tagged human PRMT3 methyltransferase domain (211 to 531 residues) expressed in HEK293 cells assessed as protein stabilization incubated for 6 hrs by chemiluminescence based InCELL Hunter assay
50022523	6	ChEMBL_2520344	Binding affinity to ePL-tagged human PRMT3 methyltransferase domain (211 to 531 residues) expressed in human A549 cells assessed as protein stabilization incubated for 6 hrs by chemiluminescence based InCELL Hunter assay
50022523	7	ChEMBL_2520345	Inhibition of wild type Flag-tagged human PRMT3 catalytic activity transfected in HEK293 cells assessed as reduction in H4R3me2a level incubated for 24 hrs by Western blot analysis
50022523	8	ChEMBL_2520346	Inhibition of wild type Flag-tagged human PRMT3 catalytic activity transfected in HEK293 cells assessed as inhibition of exogenous GFP-tagged H4R3 asymmetric dimethylation incubated for 24 hrs by Western blot analysis
50022523	9	ChEMBL_2520659	Inhibition of [3H]LSD binding to 5-HT2B receptor (unknown origin)
50022524	1	ChEMBL_2520662	Inhibition of recombinant human GSK3alpha using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate by [gamma-33P]-ATP based analysis
50022524	2	ChEMBL_2520663	Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQS(p) EDEEE as substrate by [gamma-33P]-ATP based analysis
50022525	1	ChEMBL_2520727	Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs by fluorescence assay
50022525	2	ChEMBL_2520733	Competitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs by Dixon plot analysis
50022525	3	ChEMBL_2520735	Competitive inhibition of mouse neutrophil elastase using varying levels of MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs by Dixon plot analysis
50022525	4	ChEMBL_2520737	Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs in presence of hydrogen peroxide by fluorescence assay
50022525	5	ChEMBL_2520740	Inhibition of cathepsin G (unknown origin)
50022525	6	ChEMBL_2520741	Inhibition of chymotrypsin (unknown origin)
50022525	7	ChEMBL_2520742	Inhibition of trypsin (unknown origin)
50022525	8	ChEMBL_2520743	Inhibition of chymase (unknown origin)
50022525	9	ChEMBL_2520744	Inhibition of DPP2 (unknown origin)
50022525	10	ChEMBL_2520745	Inhibition of DPP4 (unknown origin)
50022525	11	ChEMBL_2520746	Inhibition of urokinase (unknown origin)
50022525	12	ChEMBL_2520747	Inhibition of FAP (unknown origin)
50022525	13	ChEMBL_2520748	Inhibition of kallikrein-1 (unknown origin)
50022525	14	ChEMBL_2520749	Inhibition of kallikrein-4 (unknown origin)
50022525	15	ChEMBL_2520750	Inhibition of kallikrein-5 (unknown origin)
50022525	16	ChEMBL_2520751	Inhibition of kallikrein-7 (unknown origin)
50022525	17	ChEMBL_2520752	Inhibition of kallikrein-12 (unknown origin)
50022525	18	ChEMBL_2520753	Inhibition of kallikrein-B1 (unknown origin)
50022525	19	ChEMBL_2520754	Inhibition of thrombin (unknown origin)
50022525	20	ChEMBL_2520755	Inhibition of FXa (unknown origin)
50022525	21	ChEMBL_2520756	Inhibition of FVIIa (unknown origin)
50022525	22	ChEMBL_2520757	Inhibition of FIXa (unknown origin)
50022525	23	ChEMBL_2520758	Inhibition of FXIa (unknown origin)
50022525	24	ChEMBL_2520759	Inhibition of plasmin (unknown origin)
50022526	1	ChEMBL_2520920	Inhibition of recombinant human CHK1 by microfluidic assay
50022526	2	ChEMBL_2520921	Inhibition of human ERK8 in presence of ATP by by radiometric kinase assay
50022526	3	ChEMBL_2520922	Inhibition of PRKD1 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	4	ChEMBL_2520923	Inhibition of human RSK1 by FRET based Z-LYTE kinase assay
50022526	5	ChEMBL_2520924	Inhibition of human RSK2 by FRET based Z-LYTE kinase assay
50022526	6	ChEMBL_2520925	Inhibition of VEGFR1 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	7	ChEMBL_2520926	Inhibition of VEGFR2 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	8	ChEMBL_2520927	Inhibition of human NUAK1 by FRET based Z-LYTE kinase assay
50022526	9	ChEMBL_2520928	Inhibition of human MARK3 by FRET based Z-LYTE kinase assay
50022526	10	ChEMBL_2520929	Inhibition of human CLK2 by FRET based Z-LYTE kinase assay
50022526	11	ChEMBL_2520930	Inhibition of human BRSK1 by FRET based Z-LYTE kinase assay
50022526	12	ChEMBL_2520931	Inhibition of human CHK2 by microfluidic assay
50022526	13	ChEMBL_2520932	Inhibition of human CHK2 by FRET based Z-LYTE kinase assay
50022526	14	ChEMBL_2520933	Inhibition of AMPK alpha1/beta1/gamma1 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	15	ChEMBL_2520934	Inhibition of PHKG1 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	16	ChEMBL_2520936	Inhibition of FLT3 (unknown origin) by FRET based Z-LYTE kinase assay
50022526	17	ChEMBL_2520937	Inhibition of CDK1/CyclB (unknown origin) in presence of ATP by DELFIA assay
50022526	18	ChEMBL_2520954	Inhibition of CHK1 in etoposide-induced human HT-29 cells assessed as G2 checkpoint abrogation in presence of nocodazole by ELISA analysis
50022526	19	ChEMBL_2520955	Inhibition of CHK1 in etoposide-induced human SW620 cells assessed as G2 checkpoint abrogation in presence of nocodazole by ELISA analysis
50022526	20	ChEMBL_2520956	Inhibition of CHK1 in etoposide-induced human MIA PaCa-2 cells assessed as G2 checkpoint abrogation in presence of nocodazole by ELISA analysis
50022526	21	ChEMBL_2520957	Inhibition of CHK1 in etoposide-induced human Calu-6 cells assessed as G2 checkpoint abrogation in presence of nocodazole by ELISA analysis
50022527	1	ChEMBL_2521079	Inhibition of GST tagged human LRRK2 G2019S mutant using LRRKtide as substrate in presence of KmATP by Lanthascreen TR-FRET competition binding assay
50022527	2	ChEMBL_2521080	Inhibition of CLK4 (unknown origin)
50022527	3	ChEMBL_2521081	Inhibition of MAP3K14 (unknown origin)
50022527	4	ChEMBL_2521082	Inhibition of MAP3K5 (unknown origin)
50022527	5	ChEMBL_2521083	Inhibition of CLK2 (unknown origin)
50022527	6	ChEMBL_2521084	Inhibition of TTK (unknown origin)
50022527	7	ChEMBL_2521085	Inhibition of serotonin 5-HT2B (unknown origin)
50022527	8	ChEMBL_2521086	Inhibition of norepinephrine transporter (unknown origin)
50022527	9	ChEMBL_2521087	Inhibition of muscarinic M2 (unknown origin)
50022527	10	ChEMBL_2521088	Inhibition of peroxisome proliferator-activated receptors gamma (unknown origin)
50022527	11	ChEMBL_2521090	Inhibition of LRRK2 in Tet-inducible human SH-SY5Y cells overexpressing LRRK2 assessed as inhibition of pSer935 LRRK2 by Western blotting analysis
50022527	12	ChEMBL_2521091	Displacement of [35S]MLi-A from LRRK2 expressed in Tet-inducible human SHSY5Y cells assessed as inhibition constant by radioligand binding assay
50022528	1	ChEMBL_2521163	Inhibition of recombinant human C-terminal His/FLAG-tagged HDAC1 using Boc-Lys-(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50022528	2	ChEMBL_2521164	Inhibition of recombinant human C-terminal FLAG-tagged HDAC2 using Boc-Lys-(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50022528	3	ChEMBL_2521165	Inhibition of recombinant human C-terminal His-tagged HDAC3/NcoR2 using Boc-Lys-(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50022528	4	ChEMBL_2521166	Inhibition of recombinant human C-terminal His-tagged HDAC8 using Boc-Lys-(Ac)-AMC as substrate measured after 60 mins by fluorescence assay
50022529	1	ChEMBL_2521259	Inhibition of full length PAK1 (unknown origin) assessed s reduction in substrate phosphorylation using peptide as substrate by FRET based Z-LYTE kinase assay
50022529	2	ChEMBL_2521260	Inhibition of full length PAK2 (unknown origin) assessed s reduction in substrate phosphorylation using peptide as substrate by FRET based Z-LYTE kinase assay
50022529	3	ChEMBL_2521261	Inhibition of full length PAK3 (unknown origin) assessed s reduction in substrate phosphorylation using peptide as substrate by FRET based Z-LYTE kinase assay
50022529	4	ChEMBL_2521262	Inhibition of full length PAK4 (unknown origin) assessed s reduction in substrate phosphorylation using peptide as substrate by FRET based Z-LYTE kinase assay
50022530	1	ChEMBL_2521264	Inhibition of human GLUT1 expressed in human DLD-1 cells assessed as reduction in glucose uptake by measuring decrease in ATP production incubated for 15 mins in presence of oxidative phosphorylation inhibitor rotenone by CellTiter-Glo Luminescent Cell Viability Assay
50022530	2	ChEMBL_2521265	Inhibition of human GLUT2 expressed in CHO cells assessed as reduction in fructose uptake by measuring decrease in ATP production incubated for 15 mins in presence of oxidative phosphorylation inhibitor rotenone by CellTiter-Glo Luminescent Cell Viability Assay
50022530	3	ChEMBL_2521266	Inhibition of human GLUT3 expressed in human GLUT1-/- DLD-1 cells assessed as reduction in glucose uptake by measuring decrease in ATP production incubated for 15 mins in presence of oxidative phosphorylation inhibitor rotenone by CellTiter-Glo Luminescent Cell Viability Assay
50022530	4	ChEMBL_2521267	Inhibition of human GLUT4 expressed in CHO cells assessed as reduction in glucose uptake by measuring decrease in ATP production preincubated for 20 mins followed by glucose addition and measured after 15 mins in presence of oxidative phosphorylation inhibitor rotenone by CellTiter-Glo Luminescent Cell Viability Assay
50022531	1	ChEMBL_2521304	Binding affinity to TIE2 (unknown origin) assessed as dissociation constant by KINOME scan assay
50022531	2	ChEMBL_2521305	Binding affinity to TIE1 (unknown origin) assessed as dissociation constant by KINOME scan assay
50022531	3	ChEMBL_2521306	Binding affinity to DDR1 (unknown origin) assessed as dissociation constant by KINOME scan assay
50022531	4	ChEMBL_2521307	Binding affinity to DDR2 (unknown origin) assessed as dissociation constant by KINOME scan assay
50022531	5	ChEMBL_2521308	Binding affinity to LOK (unknown origin) assessed as dissociation constant by KINOME scan assay
50022531	6	ChEMBL_2521309	Inhibition of TIE2 (unknown origin)
50022531	7	ChEMBL_2521310	Inhibition of TIE2 autophosphorylation in human HUVEC cells by Western blot analysis
50022532	1	ChEMBL_2522286	Inhibition of N-terminal His-tagged full-length recombinant human MTH1 (1 to 156 residues) expressed in Escherichia coli using 8-oxo-dGTP as substrate preincubated for 20 mins followed by substrate addition measured after 60 mins by bioluminescence based assay
50022532	2	ChEMBL_2522296	Binding affinity to MTH1 in human K562 cells assessed as increase in thermal stabilization by measuring change in melting temperature at 55 degreeC incubated for 60 mins by CETSA assay
50022533	1	ChEMBL_2522327	Uncompetitive inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using [3H]SAM as substrate assessed as apparent inhibition constant incubated for 30 mins by Cheng-Prusoff plot analysis
50022533	2	ChEMBL_2522328	Competitive inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using [3H]SAM as substrate assessed as apparent inhibition constant incubated for 30 mins by Cheng-Prusoff plot analysis
50022533	3	ChEMBL_2522329	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using [3H]SAM as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	4	ChEMBL_2522330	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using [3H]SAM as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	5	ChEMBL_2522331	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using H4 as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	6	ChEMBL_2522332	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using H2A as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	7	ChEMBL_2522333	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using Sm3d as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	8	ChEMBL_2522334	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using FUBP1 as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	9	ChEMBL_2522335	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using HNRNPH1 as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	10	ChEMBL_2522336	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using H4 as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	11	ChEMBL_2522337	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using H2A as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	12	ChEMBL_2522338	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using Sm3d as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	13	ChEMBL_2522339	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using FUBP1 as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	14	ChEMBL_2522340	Inhibition of Flag-tagged human PRMT5/his-tagged MEP50 (unknown origin) expressed in baculovirus expression system using HNRNPH1 as substrate assessed as apparent inhibition constant preincubated for 60 mins followed by substrate addition and measured after 30 mins by Cheng-Prusoff plot analysis
50022533	15	ChEMBL_2522649	Inhibition of PRMT5 in human Z138 cells assessed as effect on SDMA level incubated for 3 days by ELISA analysis
50022533	16	ChEMBL_2522650	Inhibition of PRMT5 in human MDA-MB-468 cells assessed as decrease in SDMA level incubated for 3 days
50022533	17	ChEMBL_2522651	Inhibition of PRMT5 in human MCF7 cells assessed as decrease in SDMA level incubated for 3 days
50022533	18	ChEMBL_2522652	Inhibition of PRMT5 in human MAVER-1 cells assessed as decrease in SDMA level incubated for 3 days
50022533	19	ChEMBL_2522653	Inhibition of PRMT5 in human MINO cells assessed as decrease in SDMA level incubated for 3 days
50022533	20	ChEMBL_2522654	Inhibition of PRMT5 in human BJAB cells assessed as decrease in SDMA level incubated for 3 days
50022533	21	ChEMBL_2522655	Inhibition of PRMT5 in human REC1 cells assessed as decrease in SDMA level incubated for 3 days
50022533	22	ChEMBL_2522656	Inhibition of PRMT5 in human U-2940 cells assessed as decrease in SDMA level incubated for 3 days
50022533	23	ChEMBL_2522657	Inhibition of PRMT5 in human ZR-75-1 cells assessed as decrease in SDMA level incubated for 3 days
50022533	24	ChEMBL_2522711	Inhibition of PRMT5 in human Z138 cells assessed as effect on SESN1 expression incubated for 2 to 4 days by Western blot analysis
50022533	25	ChEMBL_2522712	Inhibition of PRMT5 in human Z138 cells assessed as effect on BAX expression incubated for 2 to 4 days by Western blot analysis
50022533	26	ChEMBL_2522713	Inhibition of PRMT5 in human Z138 cells assessed as effect on CDKN1 expression incubated for 2 to 4 days by Western blot analysis
50022533	27	ChEMBL_2522714	Inhibition of PRMT5 in human Z138 cells assessed as effect on MDM2 expression incubated for 2 to 4 days by Western blot analysis
50022533	28	ChEMBL_2522715	Inhibition of PRMT5 in human Z138 cells assessed as effect on PHLDA3 expression incubated for 2 to 4 days by Western blot analysis
50022533	29	ChEMBL_2522716	Inhibition of PRMT5 in human Z138 cells assessed as effect on TRIM22 expression incubated for 2 to 4 days by Western blot analysis
50022533	30	ChEMBL_2522717	Inhibition of PRMT5 in human Z138 cells assessed as effect on EGR2 expression incubated for 2 to 4 days by Western blot analysis
50022533	31	ChEMBL_2522718	Inhibition of PRMT5 in human Z138 cells assessed as effect on GADD45A expression incubated for 2 to 4 days by Western blot analysis
50022535	1	ChEMBL_2522782	Inhibition of human ULK1
50022535	2	ChEMBL_2522783	Inhibition of human ULK2
50022535	3	ChEMBL_2522784	Inhibition of ULK1 phosphorylation at Ser15 residue in HEK293 cells incubated for 1 hr by chemiluminescence based immunoblotting analysis
50022535	4	ChEMBL_2522785	Inhibition of human recombinant DRAK1
50022535	5	ChEMBL_2522786	Inhibition of human recombinant MNK2
50022536	1	ChEMBL_2524893	Inhibition of human recombinant intracellular domain of EGFR (644 to 1186 residues) expressed in baculovirus-infected Sf9 cells incubated for 8 mins by colorimetry based assay
50022536	2	ChEMBL_2524894	Competitive inhibition of human EGFR (644 to 1186 residues) expressed in baculovirus-infected Sf9 cells incubated for 8 mins in presence of ATP by colorimetry based assay
50022536	3	ChEMBL_2524896	Inhibition of human recombinant EGFR (644 to 1186 residues) expressed in baculovirus-infected Sf9 cells assessed as inhibition constant
50022537	1	ChEMBL_2524980	Inhibition of GST-tagged human CDK1/Cyclin B expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	2	ChEMBL_2524981	Inhibition of GST-tagged human CDK2/Cyclin E expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	3	ChEMBL_2524982	Inhibition of GST-tagged human CDK4/Cyclin D1 expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	4	ChEMBL_2524983	Inhibition of GST-tagged human CDK4/Cyclin D2 expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	5	ChEMBL_2524984	Inhibition of GST-tagged human CDK6/Cyclin D1 expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	6	ChEMBL_2524985	Inhibition of GST-tagged human CDK6/Cyclin D2 expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	7	ChEMBL_2524986	Inhibition of GST-tagged human CDK5/p35 expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	8	ChEMBL_2524988	Inhibition of GST-tagged human c-met expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	9	ChEMBL_2524989	Inhibition of GST-tagged human IGF-1R expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022537	10	ChEMBL_2524990	Inhibition of GST-tagged human Insulin receptor expressed in baculovirus infected Sf9 cells using retinoblastoma protein in presence of ATP
50022538	1	ChEMBL_2525059	Inhibition of EGFR (unknown origin)
50022538	2	ChEMBL_2525060	Inhibition of EGFR in human A-431 cells assessed as reduction in EGFR at tyrosine phosphorylation
50022538	3	ChEMBL_2525061	Inhibition of erbB2 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylation
50022538	4	ChEMBL_2525062	Inhibition of erbB3 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylation
50022538	5	ChEMBL_2525063	Inhibition of erbB4 in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated tyrosine phosphorylation
50022538	6	ChEMBL_2525064	Inhibition of erbB in human MDA-MB-453 cells assessed as reduction in heregulin-stimulated pp62(c-fos) expression
50022539	1	ChEMBL_2525068	Inhibition of recombinant Aurora A (unknown origin) expressing NH2-terminal His6-tag in baculovirus expression system using Biotinyl-Ahx-tetra (LRRWSLG) as substrate incubated for 60 mins measured by betaplate counter analysis
50022539	2	ChEMBL_2525069	Inhibition of recombinant Aurora B (unknown origin) expressing NH2-terminal His6-tag in baculovirus expression system using Biotinyl-Ahx-tetra (LRRWSLG) as substrate incubated for 60 mins measured by betaplate counter analysis
50022539	3	ChEMBL_2525070	Inhibition of recombinant CDK1 (unknown origin)
50022539	4	ChEMBL_2525071	Inhibition of recombinant CDK2 (unknown origin)
50022539	5	ChEMBL_2525072	Inhibition of recombinant CDK4 (unknown origin)
50022539	6	ChEMBL_2525073	Inhibition of recombinant PLK1 (unknown origin)
50022539	7	ChEMBL_2525074	Inhibition of recombinant CHK1 (unknown origin)
50022539	8	ChEMBL_2525075	Inhibition of recombinant MEK1 (unknown origin)
50022539	9	ChEMBL_2525076	Inhibition of recombinant IKK1 (unknown origin)
50022539	10	ChEMBL_2525077	Inhibition of recombinant IKK2 (unknown origin)
50022539	11	ChEMBL_2525078	Inhibition of recombinant FLT2 (unknown origin)
50022539	12	ChEMBL_2525080	Inhibition of recombinant SRC (unknown origin)
50022539	13	ChEMBL_2525081	Inhibition of recombinant LCK (unknown origin)
50022539	14	ChEMBL_2525082	Inhibition of recombinant ZAP70 (unknown origin)
50022539	15	ChEMBL_2525083	Inhibition of recombinant FAK (unknown origin)
50022540	1	ChEMBL_2525125	Inhibition of recombinant N-terminal His6-tagged HER2 cytoplasmic domain (676 to 1255 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in autophosphorylation preincubated for 15 mins followed by ATP addition and measured after 1 hr by ELISA
50022540	2	ChEMBL_2525126	Inhibition of recombinant N-terminal His6-tagged EGFR cytoplasmic domain (645 to 1186 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in autophosphorylation preincubated for 15 mins followed by ATP addition and measured after 1 hr by ELISA
50022540	3	ChEMBL_2525127	Inhibition of recombinant AKT (unknown origin) using peptide as substrate
50022540	4	ChEMBL_2525128	Inhibition of recombinant CDK4/cyclin D1 (unknown origin) using protein as substrate
50022540	5	ChEMBL_2525129	Inhibition of recombinant CDK2/cyclin E (unknown origin) using protein as substrate
50022540	6	ChEMBL_2525130	Inhibition of recombinant CDK1/cyclin B1 (unknown origin) using protein as substrate
50022540	7	ChEMBL_2525131	Inhibition of recombinant IKK-2 (unknown origin) using peptide as substrate
50022540	8	ChEMBL_2525132	Inhibition of recombinant KDR (unknown origin) using poly[Glu:Tyr] (4:1) as substrate
50022540	9	ChEMBL_2525133	Inhibition of recombinant c-Met autophosphorylation (unknown origin)
50022540	10	ChEMBL_2525134	Inhibition of recombinant MK2 (unknown origin) using peptide as substrate
50022540	11	ChEMBL_2525135	Inhibition of recombinant PDK1 (unknown origin) using peptide as substrate
50022540	12	ChEMBL_2525136	Inhibition of recombinant c-Raf (unknown origin) using protein as substrate
50022540	13	ChEMBL_2525137	Inhibition of recombinant Src (unknown origin) using peptide as substrate
50022540	14	ChEMBL_2525138	Inhibition of recombinant Tpl-2 (unknown origin) using peptide as substrate
50022540	15	ChEMBL_2525149	Inhibition of HER2 autophosphorylation in human BT-474 cells measured after 3 hrs by Western blot analysis
50022540	16	ChEMBL_2525150	Inhibition of EGF-induced EGFR phosphorylation in human A-431 cells incubated for 3 hrs by Western blot analysis
50022540	17	ChEMBL_2525158	Inhibition of HER2 in human BT-474 cells assessed as reduction in MAPK phosphorylation incubated for 12 to 16 hrs by Western blot analysis
50022540	18	ChEMBL_2525159	Inhibition of HER2 in human BT-474 cells assessed as reduction in AKT phosphorylation incubated for 12 to 16 hrs by Western blot analysis
50022541	1	ChEMBL_2525258	Inhibition of PI3K p110 beta in human A549 cell lysate preincubated with compound for 5 mins followed by [gamma-32p]-ATP addition measured after 20 mins by immunoprecipitation based liquid scintillation spectroscopic analysis
50022541	2	ChEMBL_2525259	Inhibition of PI3K p110 gamma in human A549 cell lysate preincubated with compound for 5 mins followed by [gamma-32p]-ATP addition measured after 20 mins by immunoprecipitation based liquid scintillation spectroscopic analysis
50022541	3	ChEMBL_2525260	Inhibition of PI3K p110 delta in human A549 cell lysate preincubated with compound for 5 mins followed by [gamma-32p]-ATP addition measured after 20 mins by immunoprecipitation based liquid scintillation spectroscopic analysis
50022542	1	ChEMBL_2525403	Inhibition of human HeLa cell nuclear extract purified DNA-PK using p53 peptide as substrate by ELISA
50022543	1	ChEMBL_2525404	Inhibition of VEGFR-1 (unknown origin) in presence of ATP
50022543	2	ChEMBL_2525405	Inhibition of VEGFR-2 (unknown origin) in presence of ATP
50022543	3	ChEMBL_2525406	Inhibition of VEGFR-3 (unknown origin) in presence of ATP
50022543	4	ChEMBL_2525407	Inhibition of EphB2 (unknown origin) in presence of ATP
50022543	5	ChEMBL_2525408	Inhibition of PDGFR-alpha (unknown origin) in presence of ATP
50022543	6	ChEMBL_2525409	Inhibition of PDGFR-beta (unknown origin) in presence of ATP
50022543	7	ChEMBL_2525410	Inhibition of c-Kit (unknown origin) in presence of ATP
50022543	8	ChEMBL_2525411	Inhibition of Tie2 (unknown origin) in presence of ATP
50022543	9	ChEMBL_2525412	Inhibition of EphB4 (unknown origin) in presence of ATP
50022543	10	ChEMBL_2525413	Inhibition of FGFR-1 (unknown origin) in presence of ATP
50022543	11	ChEMBL_2525414	Inhibition of c-Met (unknown origin) in presence of ATP
50022543	12	ChEMBL_2525415	Inhibition of Abl (unknown origin) in presence of ATP
50022543	13	ChEMBL_2525416	Inhibition of Src (unknown origin) in presence of ATP
50022543	14	ChEMBL_2525417	Inhibition of FGFR-3 (unknown origin) in presence of ATP
50022543	15	ChEMBL_2525418	Inhibition of FGFR-4 (unknown origin) in presence of ATP
50022543	16	ChEMBL_2525419	Inhibition of Flt3 (unknown origin) in presence of ATP
50022543	17	ChEMBL_2525420	Inhibition of EGFR (unknown origin) in presence of ATP
50022543	18	ChEMBL_2525421	Inhibition of ErbB2 (unknown origin) in presence of ATP
50022543	19	ChEMBL_2525422	Inhibition of insulin-R (unknown origin) in presence of ATP
50022543	20	ChEMBL_2525423	Inhibition of Fak (unknown origin) in presence of ATP
50022543	21	ChEMBL_2525424	Inhibition of ErbB4 (unknown origin) in presence of ATP
50022543	22	ChEMBL_2525425	Inhibition of IGF-1R (unknown origin) in presence of ATP
50022543	23	ChEMBL_2525426	Inhibition of Jak2 (unknown origin) in presence of ATP
50022543	24	ChEMBL_2525434	Inhibition of VEGFR-2 phosphorylation in serum starved human HUVEC cells incubated for 1 hr by immunoblotting analysis
50022543	25	ChEMBL_2525435	Inhibition of VEGFR-1 phosphorylation in serum starved mouse NIH3T3 cells transfected with Flt1 incubated for 1 hr by immunoblotting analysis
50022543	26	ChEMBL_2525436	Inhibition of VEGFR-3 phosphorylation in serum starved human HUVEC cells incubated for 1 hr by immunoblotting analysis
50022543	27	ChEMBL_2525437	Inhibition of c-Kit phosphorylation in serum starved human KU812 cell line incubated for 1 hr by immunoblotting analysis
50022543	28	ChEMBL_2525438	Inhibition of PDGFR-beta phosphorylation in serum starved human NHDF cells incubated for 1 hr by immunoblotting analysis
50022543	29	ChEMBL_2525439	Inhibition of Flt3 phosphorylation in serum starved human EOL1 cells incubated for 1 hr by immunoblotting analysis
50022543	30	ChEMBL_2525440	Inhibition of FGFR1 phosphorylation in serum starved human NHDF cells incubated for 1 hr by immunoblotting analysis
50022543	31	ChEMBL_2525441	Inhibition of c-Met phosphorylation in serum starved human A-431 cells incubated for 1 hr by immunoblotting analysis
50022543	32	ChEMBL_2525445	Inhibition of ERK1 phosphorylation in VEGF-stimulated serum-starved human HUVEC cells by immunoblotting analysis
50022543	33	ChEMBL_2525446	Inhibition of ERK2 phosphorylation in VEGF-stimulated serum-starved human HUVEC cells by immunoblotting analysis
50022544	1	ChEMBL_2525537	Inhibition of B-Raf V600E mutant expressed in human A375P cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	2	ChEMBL_2525539	Inhibition of B-Raf (unknown origin) assessed as apparent inhibition constant
50022544	3	ChEMBL_2525540	Inhibition of c-Raf (unknown origin) assessed as apparent inhibition constant
50022544	4	ChEMBL_2525542	Inhibition of c-Raf (unknown origin) assessed as apparent inhibition constant incubated for 25 mins in presence of gamma-[33P]ATP
50022544	5	ChEMBL_2525590	Inhibition of B-Raf V600E mutant expressed in human COLO 205 cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	6	ChEMBL_2525591	Inhibition of B-Raf V600E mutant expressed in human HT-29 cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	7	ChEMBL_2525592	Inhibition of B-Raf V600E mutant expressed in human SK-MEL-28 cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	8	ChEMBL_2525593	Inhibition of B-Raf V600E mutant expressed in human Malme-3M cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	9	ChEMBL_2525594	Inhibition of B-Raf in human SK-MEL-2 cells expressing N-Ras Q61R mutant assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	10	ChEMBL_2525595	Inhibition of B-Raf in human HT-1080 cells expressing N-Ras2 Q61K mutant assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	11	ChEMBL_2525596	Inhibition of B-Raf in human HCT-116 cells expressing K-Ras2 G13D mutant assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	12	ChEMBL_2525597	Inhibition of B-Raf in human PrEC cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	13	ChEMBL_2525598	Inhibition of B-Raf in human HMEC cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022544	14	ChEMBL_2525599	Inhibition of B-Raf in human HFF cells assessed as inhibition of ERK phosphorylation incubated for 60 mins by Western blotting analysis
50022546	1	ChEMBL_2525638	Inhibition of human PLK1 expressed in baculovirus infected in Trichoplusia ni cells using Biotin-Ahx-SFNDTLDFD as substrate in presence of ATP by TopCount scintillation proximity assay
50022546	2	ChEMBL_2525639	Inhibition of human PLK3 expressed in baculovirus infected in Trichoplusia ni cells using Biotin-Ahx-SFNDTLDFD as substrate in presence of ATP by TopCount scintillation proximity assay
50022546	3	ChEMBL_2525640	Inhibition of PDGFR1beta (unknown origin)
50022546	4	ChEMBL_2525641	Inhibition of VEGFR2 (unknown origin)
50022546	5	ChEMBL_2525642	Inhibition of Aurora A (unknown origin)
50022546	6	ChEMBL_2525644	Inhibition of CDK1/cyclin A (unknown origin)
50022546	7	ChEMBL_2525645	Inhibition of p38alpha (unknown origin)
50022546	8	ChEMBL_2525646	Inhibition of p38beta (unknown origin)
50022546	9	ChEMBL_2525648	Inhibition of c-src (unknown origin)
50022547	1	ChEMBL_2525742	Inhibition of recombinant human N-terminal GST-tagged Plk1 (residues 1-603) expressed in baculovirus expression using casein as substrate in presence of gamma-[33P]-ATP by invitro kinase assay
50022547	2	ChEMBL_2525745	Inhibition of recombinant human plk2 using casein as substrate in presence of gamma-[33P]-ATP by invitro kinase assay
50022547	3	ChEMBL_2525746	Inhibition of recombinant human N-terminal His6-tagged Plk3 (residues 19-301) using casein as substrate in presence of gamma-[33P]-ATP by invitro kinase assay
50022547	4	ChEMBL_2525747	Inhibition of Abl (unknown origin)
50022547	5	ChEMBL_2525748	Inhibition of Axl (unknown origin)
50022547	6	ChEMBL_2525750	Inhibition of Aurora A (unknown origin)
50022547	7	ChEMBL_2525751	Inhibition of Aurora B (unknown origin)
50022547	8	ChEMBL_2525752	Inhibition of Beta IRK (unknown origin)
50022547	9	ChEMBL_2525753	Inhibition of B-RAF (unknown origin)
50022547	10	ChEMBL_2525754	Inhibition of Btk (unknown origin)
50022547	11	ChEMBL_2525755	Inhibition of CDK1/cyclin B1 (unknown origin)
50022547	12	ChEMBL_2525756	Inhibition of CDK2/Cyclin E (unknown origin)
50022547	13	ChEMBL_2525757	Inhibition of CHK1 (unknown origin)
50022547	14	ChEMBL_2525758	Inhibition of CK1 (unknown origin)
50022547	15	ChEMBL_2525759	Inhibition of CK2 (unknown origin)
50022547	16	ChEMBL_2525760	Inhibition of C-RAF (unknown origin)
50022547	17	ChEMBL_2525761	Inhibition of CSK (unknown origin)
50022547	18	ChEMBL_2525762	Inhibition of DYRK1A (unknown origin)
50022547	19	ChEMBL_2525763	Inhibition of ECK (unknown origin)
50022547	20	ChEMBL_2525764	Inhibition of ErbB4 (unknown origin)
50022547	21	ChEMBL_2525765	Inhibition of ERK2 (unknown origin)
50022547	22	ChEMBL_2525766	Inhibition of FGFR1 (unknown origin)
50022547	23	ChEMBL_2525767	Inhibition of FGFR3 (unknown origin)
50022547	24	ChEMBL_2525768	Inhibition of Flt3 (unknown origin)
50022547	25	ChEMBL_2525769	Inhibition of GSK3beta (unknown origin)
50022547	26	ChEMBL_2525770	Inhibition of Hek (unknown origin)
50022547	27	ChEMBL_2525771	Inhibition of HER2 (unknown origin)
50022547	28	ChEMBL_2525772	Inhibition of HGFR (unknown origin)
50022547	29	ChEMBL_2525773	Inhibition of ITK (unknown origin)
50022547	30	ChEMBL_2525774	Inhibition of JAK2 (unknown origin)
50022547	31	ChEMBL_2525775	Inhibition of JAK3 (unknown origin)
50022547	32	ChEMBL_2525776	Inhibition of JNK1 (unknown origin)
50022547	33	ChEMBL_2525777	Inhibition of Lck (unknown origin)
50022547	34	ChEMBL_2525778	Inhibition of Lyn (unknown origin)
50022547	35	ChEMBL_2525779	Inhibition of MAPKAP-K2 (unknown origin)
50022547	36	ChEMBL_2525780	Inhibition of MEK1 (unknown origin)
50022547	37	ChEMBL_2525781	Inhibition of Met (unknown origin)
50022547	38	ChEMBL_2525782	Inhibition of MSK1 (unknown origin)
50022547	39	ChEMBL_2525783	Inhibition of MKK1 (unknown origin)
50022547	40	ChEMBL_2525784	Inhibition of Nek6 (unknown origin)
50022547	41	ChEMBL_2525785	Inhibition of p38alpha (unknown origin)
50022547	42	ChEMBL_2525786	Inhibition of p38beta (unknown origin)
50022547	43	ChEMBL_2525787	Inhibition of p38gamma (unknown origin)
50022547	44	ChEMBL_2525788	Inhibition of p38delta (unknown origin)
50022547	45	ChEMBL_2525789	Inhibition of PAK2 (unknown origin)
50022547	46	ChEMBL_2525790	Inhibition of PDGFRa (unknown origin)
50022547	47	ChEMBL_2525791	Inhibition of PDGFRb (unknown origin)
50022547	48	ChEMBL_2525792	Inhibition of PDK1 (unknown origin)
50022547	49	ChEMBL_2525793	Inhibition of PI3Ka (unknown origin)
50022547	50	ChEMBL_2525794	Inhibition of PKA (unknown origin)
50022547	51	ChEMBL_2525795	Inhibition of PKBalpha (unknown origin)
50022547	52	ChEMBL_2525796	Inhibition of PKBbeta (unknown origin)
50022547	53	ChEMBL_2525797	Inhibition of PKCalpha (unknown origin)
50022547	54	ChEMBL_2525798	Inhibition of PRAK (unknown origin)
50022547	55	ChEMBL_2525799	Inhibition of Ret (unknown origin)
50022547	56	ChEMBL_2525800	Inhibition of ROCK2 (unknown origin)
50022547	57	ChEMBL_2525801	Inhibition of Ron (unknown origin)
50022547	58	ChEMBL_2525803	Inhibition of SGK (unknown origin)
50022547	59	ChEMBL_2525804	Inhibition of Src (unknown origin)
50022547	60	ChEMBL_2525805	Inhibition of Syk (unknown origin)
50022547	61	ChEMBL_2525806	Inhibition of Tie2 (unknown origin)
50022547	62	ChEMBL_2525807	Inhibition of VEGFR1 (unknown origin)
50022547	63	ChEMBL_2525808	Inhibition of VEGFR3 (unknown origin)
50022548	1	ChEMBL_2525880	Inhibition of human recombinant PI3Kalpha in the presence of ATP by scintillation proximity radiometric assay
50022548	2	ChEMBL_2525881	Inhibition of human recombinant PI3Kbeta in the presence of ATP by scintillation proximity radiometric assay
50022548	3	ChEMBL_2525882	Inhibition of human recombinant PI3Kdelta in the presence of ATP by scintillation proximity radiometric assay
50022548	4	ChEMBL_2525883	Inhibition of human recombinant PI3Kgamma in the presence of ATP by scintillation proximity radiometric assay
50022548	5	ChEMBL_2525884	Inhibition of human recombinant DNA-PK in the presence of ATP by scintillation proximity radiometric assay
50022548	6	ChEMBL_2525885	Inhibition of human recombinant PI3K C2beta in the presence of ATP by scintillation proximity radiometric assay
50022548	7	ChEMBL_2525886	Inhibition of human recombinant PI3K Vsp34 in the presence of ATP by scintillation proximity radiometric assay
50022550	1	ChEMBL_2526023	Inhibition of human recombinant intracellular domain of erbB2
50022550	2	ChEMBL_2526024	Inhibition of human recombinant intracellular domain of EGFR
50022550	3	ChEMBL_2526037	Inhibition of human erbB2 intracellular domain transfected in mouse NIH3T3 cells assessed as potency reduction in autophosphorylation of the chimera erbB2 incubated for 2 hrs in the presence of EGF stimulation by westernblot analysis
50022551	1	ChEMBL_2526110	Inhibition of GST- tagged EGFR (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysis
50022551	2	ChEMBL_2526111	Inhibition of GST- tagged ERBB2 (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysis
50022551	3	ChEMBL_2526112	Inhibition of GST- tagged ERBB4 (unknown origin) expressed in baculovirus infected Sf9 insect cells by ELISA analysis
50022551	4	ChEMBL_2526113	Inhibition of EGFR expressed in mouse NIH3T3 cells
50022551	5	ChEMBL_2526114	Inhibition of ERBB2 expressed in mouse NIH3T3 cells
50022551	6	ChEMBL_2526115	Inhibition of recombinant Lck (unknown origin)
50022551	7	ChEMBL_2526116	Inhibition of recombinant Src (unknown origin)
50022551	8	ChEMBL_2526117	Inhibition of recombinant catalytic domain of JAK-3 (unknown origin)
50022551	9	ChEMBL_2526119	Inhibition of recombinant CHK1 (unknown origin)
50022551	10	ChEMBL_2526120	Inhibition of recombinant CK1 (unknown origin)
50022551	11	ChEMBL_2526121	Inhibition of recombinant CK2 (unknown origin)
50022551	12	ChEMBL_2526122	Inhibition of recombinant CSK (unknown origin)
50022551	13	ChEMBL_2526123	Inhibition of recombinant DYRK1a (unknown origin)
50022551	14	ChEMBL_2526124	Inhibition of recombinant GSK3b (unknown origin)
50022551	15	ChEMBL_2526125	Inhibition of recombinant SAPK1c (unknown origin)
50022551	16	ChEMBL_2526127	Inhibition of recombinant MAPKAP-K1a (unknown origin)
50022551	17	ChEMBL_2526128	Inhibition of recombinant MAPKAP-K2 (unknown origin)
50022551	18	ChEMBL_2526129	Inhibition of recombinant MSK1 (unknown origin)
50022551	19	ChEMBL_2526130	Inhibition of recombinant NEK6 (unknown origin)
50022551	20	ChEMBL_2526131	Inhibition of recombinant NEK2a (unknown origin)
50022551	21	ChEMBL_2526133	Inhibition of recombinant PDK1 (unknown origin)
50022551	22	ChEMBL_2526135	Inhibition of recombinant PKCa (unknown origin)
50022551	23	ChEMBL_2526136	Inhibition of recombinant PRAK (unknown origin)
50022551	24	ChEMBL_2526138	Inhibition of recombinant ROCK-II (unknown origin)
50022551	25	ChEMBL_2526139	Inhibition of recombinant SAPK2a/p38 (unknown origin)
50022551	26	ChEMBL_2526140	Inhibition of recombinant SAPK2b/p38beta2 (unknown origin)
50022551	27	ChEMBL_2526141	Inhibition of recombinant SAPK3/p38gamma (unknown origin)
50022551	28	ChEMBL_2526142	Inhibition of recombinant SAPK4/p38delta (unknown origin)
50022551	29	ChEMBL_2526143	Inhibition of recombinant SGK (unknown origin)
50022551	30	ChEMBL_2526144	Inhibition of recombinant Wee1 (unknown origin)
50022551	31	ChEMBL_2526149	Inhibition of recombinant FES (unknown origin)
50022551	32	ChEMBL_2526150	Inhibition of recombinant IGF1R (unknown origin)
50022551	33	ChEMBL_2526151	Inhibition of recombinant MEK1 (unknown origin)
50022551	34	ChEMBL_2526152	Inhibition of recombinant PKA (unknown origin)
50022552	1	ChEMBL_2526224	Inhibition of recombinant human Plk2 using casein as substrate in presence of gamma32P-ATP
50022552	2	ChEMBL_2526225	Inhibition of NH2-terminal GST-tagged recombinant human Plk1 (residues 1-603) baculoviral expression using casein as substrate in presence of gamma32P-ATP
50022552	3	ChEMBL_2526226	Inhibition of NH2-terminal His6-tagged recombinant human Plk3 (residues 19-301) using casein as substrate in presence of gamma32P-ATP
50022553	1	ChEMBL_2526300	Inhibition of recombinant human GST-fused JAK1 (852 to 1142 residues) using 5-FAM-KKSRGDYMTMQIG as substrate in presence of MgATP by caliper mobility shift assay
50022553	2	ChEMBL_2526301	Inhibition of recombinant human GST-tagged JAK2 (809 to 1153+9 residues) expressed in insect cells using FITC-KGGEEEEYFE as substrate in presence of MgATP by caliper mobility shift assay
50022553	3	ChEMBL_2526302	Inhibition of recombinant human GST-tagged JAK3 (781 to 1124 residues) expressed in insect cells using FITC-KGGEEEEYFE as substrate in presence of MgATP by caliper mobility shift assay
50022553	4	ChEMBL_2526304	Competitive inhibition of recombinant human GST-fused JAK1 (852 to 1142 residues) using 5-FAM-KKSRGDYMTMQIG as substrate in presence of varying levels of MgATP by Lineweaver-Burk plot analysis
50022553	5	ChEMBL_2526305	Inhibition of recombinant human GST-tagged JAK2 (809 to 1153+9 residues) expressed in insect cells using FITC-KGGEEEEYFE as substrate in presence of varying levels of MgATP by Lineweaver-Burk plot analysis
50022553	6	ChEMBL_2526306	Inhibition of recombinant human GST-tagged JAK3 (781 to 1124 residues) expressed in insect cells using FITC-KGGEEEEYFE as substrate in presence of varying levels of MgATP by Lineweaver-Burk plot analysis
50022553	7	ChEMBL_2526308	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-2 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	8	ChEMBL_2526309	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-4-induced STAT6 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-4 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	9	ChEMBL_2526310	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-7-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-7 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	10	ChEMBL_2526311	Inhibition of JAK1/JAK2 in human whole blood assessed as reduction in IL-6-induced STAT1 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	11	ChEMBL_2526312	Inhibition of JAK1/JAK2 in human whole blood assessed as reduction in IL-6-induced STAT3 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	12	ChEMBL_2526313	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFN-alpha-induced STAT1 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IFN-alpha stimulation and measured after 8 to 20 mins by FACS analysis
50022553	13	ChEMBL_2526315	Inhibition of JAK1/JAK2 in human whole blood assessed as reduction in IL-6-induced STAT3 phosphorylation in monocytes preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	14	ChEMBL_2526316	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFN-alpha-induced STAT1 phosphorylation in monocytes preincubated for 1 hr followed by IFN-alpha stimulation and measured after 8 to 20 mins by FACS analysis
50022553	15	ChEMBL_2526317	Inhibition of JAK1/JAK2 in human whole blood assessed as reduction in IFN-gamma-induced STAT1 phosphorylation in monocytes preincubated for 1 hr followed by IFN-gamma stimulation and measured after 8 to 20 mins by FACS analysis
50022553	16	ChEMBL_2526319	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-15-induced STAT5 phosphorylation in CD8+ T cells preincubated for 1 hr followed by IL-2 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	17	ChEMBL_2526320	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-21-induced STAT3 phosphorylation in CD3+ T cells preincubated for 1 hr followed by IL-2 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	18	ChEMBL_2526321	Inhibition of JAK2 in human whole blood assessed as reduction in GM-CSF-induced STAT5 phosphorylation in monocytes preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	19	ChEMBL_2526322	Inhibition of JAK1/JAK3 in mouse whole blood assessed as reduction in IL-15-induced STAT5 phosphorylation in CD8+ T cells preincubated for 1 hr followed by IL-2 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	20	ChEMBL_2526323	Inhibition of JAK1/JAK2 in mouse whole blood assessed as reduction in IL-6-induced STAT1 phosphorylation in CD8+ T cells preincubated for 1 hr followed by IL-2 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	21	ChEMBL_2526324	Inhibition of JAK2 in mouse whole blood assessed as reduction in GM-CSF-induced STAT5 phosphorylation in monocytes preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	22	ChEMBL_2526327	Inhibition of JAK2 in rat whole blood assessed as reduction in GM-CSF-induced STAT5 phosphorylation in monocytes preincubated for 1 hr followed by IL-6 stimulation and measured after 8 to 20 mins by FACS analysis
50022553	23	ChEMBL_2526348	Inhibition of JAK2 in human HUO3 cells assessed as reduction in GM-CSF-induced cell proliferation measured after 4 days by [3H]-thymidine incorporation based scintillation counting method
50022554	1	ChEMBL_2526361	Inhibition of ERK5 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	2	ChEMBL_2526362	Inhibition of RSK1 domain 2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	3	ChEMBL_2526363	Inhibition of PIK4CB in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	4	ChEMBL_2526364	Inhibition of PIK4CA in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	5	ChEMBL_2526365	Inhibition of RSK2 domain 2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	6	ChEMBL_2526366	Inhibition of AGK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	7	ChEMBL_2526367	Inhibition of ABL1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	8	ChEMBL_2526368	Inhibition of AKT1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	9	ChEMBL_2526369	Inhibition of AMPKalpha1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	10	ChEMBL_2526370	Inhibition of ARAF in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	11	ChEMBL_2526371	Inhibition of ATR in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	12	ChEMBL_2526372	Inhibition of AURA in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	13	ChEMBL_2526373	Inhibition of AURA/AURB/AURC in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	14	ChEMBL_2526374	Inhibition of BRAF in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	15	ChEMBL_2526375	Inhibition of CAMK1d in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	16	ChEMBL_2526376	Inhibition of CAMK2d in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	17	ChEMBL_2526377	Inhibition of CAMK2g in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	18	ChEMBL_2526378	Inhibition of CDK10 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	19	ChEMBL_2526379	Inhibition of CDK2 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	20	ChEMBL_2526380	Inhibition of CDK2 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	21	ChEMBL_2526381	Inhibition of CDK5 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	22	ChEMBL_2526383	Inhibition of CDK7 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	23	ChEMBL_2526384	Inhibition of CDK8/CDK11 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	24	ChEMBL_2526385	Inhibition of CDK9 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	25	ChEMBL_2526386	Inhibition of CHED in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	26	ChEMBL_2526387	Inhibition of CHK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	27	ChEMBL_2526388	Inhibition of CHK1 inactive site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	28	ChEMBL_2526389	Inhibition of CK1alpha in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	29	ChEMBL_2526390	Inhibition of CSK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	30	ChEMBL_2526391	Inhibition of EEF2K in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	31	ChEMBL_2526392	Inhibition of EGFR in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	32	ChEMBL_2526393	Inhibition of EphA2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	33	ChEMBL_2526394	Inhibition of EphB4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	34	ChEMBL_2526395	Inhibition of ERK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	35	ChEMBL_2526396	Inhibition of ERK2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	36	ChEMBL_2526397	Inhibition of ERK4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	37	ChEMBL_2526398	Inhibition of FER in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	38	ChEMBL_2526399	Inhibition of FRAP in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	39	ChEMBL_2526400	Inhibition of GCN2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	40	ChEMBL_2526401	Inhibition of GSK3A in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	41	ChEMBL_2526402	Inhibition of GSK3B isoform 2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	42	ChEMBL_2526404	Inhibition of IKKA in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	43	ChEMBL_2526405	Inhibition of ILK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	44	ChEMBL_2526406	Inhibition of IRAK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	45	ChEMBL_2526407	Inhibition of IRAK4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	46	ChEMBL_2526408	Inhibition of JAK1 domain 2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	47	ChEMBL_2526409	Inhibition of JNK1/JNK2/JNK3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	48	ChEMBL_2526411	Inhibition of LATS1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	49	ChEMBL_2526412	Inhibition of LOK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	50	ChEMBL_2526413	Inhibition of LYN in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	51	ChEMBL_2526414	Inhibition of MAP2K1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	52	ChEMBL_2526415	Inhibition of MAP2K1/MAP2K2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	53	ChEMBL_2526416	Inhibition of MAP2K3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	54	ChEMBL_2526417	Inhibition of MAP2K4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	55	ChEMBL_2526418	Inhibition of MAP2K6 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	56	ChEMBL_2526420	Inhibition of MAP3K4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	57	ChEMBL_2526421	Inhibition of MAP3K5 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	58	ChEMBL_2526423	Inhibition of MARK3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	59	ChEMBL_2526424	Inhibition of MAST3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	60	ChEMBL_2526425	Inhibition of MASTL in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	61	ChEMBL_2526426	Inhibition of MLK3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	62	ChEMBL_2526427	Inhibition of MLKL in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	63	ChEMBL_2526428	Inhibition of MPSK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	64	ChEMBL_2526429	Inhibition of MRCKB in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	65	ChEMBL_2526430	Inhibition of MSK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	66	ChEMBL_2526432	Inhibition of MST1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	67	ChEMBL_2526433	Inhibition of MST1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	68	ChEMBL_2526434	Inhibition of MST3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	69	ChEMBL_2526436	Inhibition of NDR1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	70	ChEMBL_2526437	Inhibition of NEK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	71	ChEMBL_2526438	Inhibition of NEK4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	72	ChEMBL_2526440	Inhibition of NEK7 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	73	ChEMBL_2526441	Inhibition of NEK9 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	74	ChEMBL_2526442	Inhibition of P38a in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	75	ChEMBL_2526443	Inhibition of P38a interaction site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	76	ChEMBL_2526444	Inhibition of P38delta/gamma in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	77	ChEMBL_2526445	Inhibition of P70S6K in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	78	ChEMBL_2526446	Inhibition of P70S6KB in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	79	ChEMBL_2526447	Inhibition of PEK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	80	ChEMBL_2526448	Inhibition of PHKg2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	81	ChEMBL_2526449	Inhibition of PIP5K2A in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	82	ChEMBL_2526450	Inhibition of PIK3C2B in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	83	ChEMBL_2526451	Inhibition of PIP5K2A LIP1 labeling site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	84	ChEMBL_2526452	Inhibition of PIP5K2B in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	85	ChEMBL_2526453	Inhibition of PIP5K2C in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	86	ChEMBL_2526454	Inhibition of PIP5K3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	87	ChEMBL_2526455	Inhibition of PITSLRE in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	88	ChEMBL_2526456	Inhibition of PKCalpha/beta in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	89	ChEMBL_2526457	Inhibition of PKCtheta in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	90	ChEMBL_2526460	Inhibition of PKN2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	91	ChEMBL_2526461	Inhibition of PKR in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	92	ChEMBL_2526462	Inhibition of PLK1 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	93	ChEMBL_2526463	Inhibition of PLK1 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	94	ChEMBL_2526464	Inhibition of PRKDC in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	95	ChEMBL_2526465	Inhibition of PRP4 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	96	ChEMBL_2526466	Inhibition of PRPK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	97	ChEMBL_2526467	Inhibition of ROCK1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	98	ChEMBL_2526468	Inhibition of RSK1/2/3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	99	ChEMBL_2526469	Inhibition of RSK2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	100	ChEMBL_2526470	Inhibition of SGK3 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	101	ChEMBL_2526471	Inhibition of SGK3 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	102	ChEMBL_2526472	Inhibition of SLK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	103	ChEMBL_2526473	Inhibition of SMG1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	104	ChEMBL_2526475	Inhibition of SRPK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	105	ChEMBL_2526476	Inhibition of TAK1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	106	ChEMBL_2526477	Inhibition of TAO2 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	107	ChEMBL_2526478	Inhibition of TAO3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	108	ChEMBL_2526479	Inhibition of TIF1b in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	109	ChEMBL_2526480	Inhibition of ULK3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	110	ChEMBL_2526481	Inhibition of Wee1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	111	ChEMBL_2526482	Inhibition of Wnk1 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	112	ChEMBL_2526484	Inhibition of ZAK in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	113	ChEMBL_2526485	Inhibition of PIK3C3 in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	114	ChEMBL_2526486	Inhibition of MET in human HeLa cells lysate pre incubated for 15 mins followed by ATP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	115	ChEMBL_2526488	Inhibition of TNK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	116	ChEMBL_2526489	Inhibition of ACK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	117	ChEMBL_2526490	Inhibition of RSK1 domain 2 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	118	ChEMBL_2526491	Inhibition of RSK1 domain 2 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	119	ChEMBL_2526492	Inhibition of PIK4CB in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	120	ChEMBL_2526493	Inhibition of FAK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	121	ChEMBL_2526494	Inhibition of RSK2 domain 2 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	122	ChEMBL_2526495	Inhibition of AMPKalpha1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	123	ChEMBL_2526496	Inhibition of AMPKalpha1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	124	ChEMBL_2526497	Inhibition of AMPKalpha2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	125	ChEMBL_2526498	Inhibition of ATM in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	126	ChEMBL_2526499	Inhibition of AXL in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	127	ChEMBL_2526500	Inhibition of BRAF in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	128	ChEMBL_2526501	Inhibition of CAMK1d in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	129	ChEMBL_2526502	Inhibition of CAMK2d in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	130	ChEMBL_2526503	Inhibition of CAMK2g in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	131	ChEMBL_2526504	Inhibition of CAMKK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	132	ChEMBL_2526505	Inhibition of CASK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	133	ChEMBL_2526506	Inhibition of CDC2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	134	ChEMBL_2526507	Inhibition of CDK2 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	135	ChEMBL_2526508	Inhibition of CDK2 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	136	ChEMBL_2526509	Inhibition of CDK5 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	137	ChEMBL_2526511	Inhibition of CDK9 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	138	ChEMBL_2526512	Inhibition of CHED in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	139	ChEMBL_2526513	Inhibition of CHK2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	140	ChEMBL_2526515	Inhibition of CLK3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	141	ChEMBL_2526516	Inhibition of COT in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	142	ChEMBL_2526517	Inhibition of CRK7 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	143	ChEMBL_2526518	Inhibition of CSK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	144	ChEMBL_2526519	Inhibition of EGFR in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	145	ChEMBL_2526520	Inhibition of EphB4 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	146	ChEMBL_2526521	Inhibition of ERK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	147	ChEMBL_2526522	Inhibition of FYN in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	148	ChEMBL_2526523	Inhibition of GCK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	149	ChEMBL_2526524	Inhibition of GSK3B isoform 2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	150	ChEMBL_2526526	Inhibition of IGF1R in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	151	ChEMBL_2526527	Inhibition of IKKB in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	152	ChEMBL_2526528	Inhibition of IKKE/TBK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	153	ChEMBL_2526529	Inhibition of INSR in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	154	ChEMBL_2526530	Inhibition of IRAK4 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	155	ChEMBL_2526531	Inhibition of IRE1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	156	ChEMBL_2526532	Inhibition of JAK1 domain 2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	157	ChEMBL_2526533	Inhibition of LATS2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	158	ChEMBL_2526534	Inhibition of LOK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	159	ChEMBL_2526535	Inhibition of MAP2K1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	160	ChEMBL_2526536	Inhibition of MAP2K1/MAP2K2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	161	ChEMBL_2526537	Inhibition of MAP2K3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	162	ChEMBL_2526538	Inhibition of MAP2K4 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	163	ChEMBL_2526539	Inhibition of MAP2K5 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	164	ChEMBL_2526540	Inhibition of MAP2K6 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	165	ChEMBL_2526541	Inhibition of MAP2K7 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	166	ChEMBL_2526542	Inhibition of MAP3K1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	167	ChEMBL_2526543	Inhibition of MAP3K2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	168	ChEMBL_2526545	Inhibition of MARK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	169	ChEMBL_2526546	Inhibition of MARK2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	170	ChEMBL_2526547	Inhibition of MARK3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	171	ChEMBL_2526548	Inhibition of MLKL in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	172	ChEMBL_2526549	Inhibition of MSK1 domain 1 K2 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	173	ChEMBL_2526550	Inhibition of MSK1 domain 1 K1 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	174	ChEMBL_2526552	Inhibition of MST1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	175	ChEMBL_2526553	Inhibition of MST1/2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	176	ChEMBL_2526554	Inhibition of MST2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	177	ChEMBL_2526555	Inhibition of MST3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	178	ChEMBL_2526557	Inhibition of NDR2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	179	ChEMBL_2526558	Inhibition of NEK3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	180	ChEMBL_2526560	Inhibition of NEK7 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	181	ChEMBL_2526561	Inhibition of NEK8 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	182	ChEMBL_2526562	Inhibition of NEK9 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	183	ChEMBL_2526563	Inhibition of PAN3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	184	ChEMBL_2526564	Inhibition of PCTAIRE1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	185	ChEMBL_2526567	Inhibition of PDK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	186	ChEMBL_2526568	Inhibition of PFTAIRE2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	187	ChEMBL_2526569	Inhibition of PHKg2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	188	ChEMBL_2526570	Inhibition of PIP5K2A in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	189	ChEMBL_2526571	Inhibition of PIP5K2A LIP1 site in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	190	ChEMBL_2526572	Inhibition of PKCiota in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	191	ChEMBL_2526573	Inhibition of PKCzeta in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	192	ChEMBL_2526574	Inhibition of PKD2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	193	ChEMBL_2526575	Inhibition of PKD3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	194	ChEMBL_2526576	Inhibition of PKR in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	195	ChEMBL_2526577	Inhibition of PLK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	196	ChEMBL_2526578	Inhibition of PLK1 splice variant in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	197	ChEMBL_2526579	Inhibition of PRKDC in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	198	ChEMBL_2526581	Inhibition of PRPK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	199	ChEMBL_2526582	Inhibition of RON in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	200	ChEMBL_2526583	Inhibition of RSK1 domain 1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	201	ChEMBL_2526584	Inhibition of RSK1/RSK2/RSK3 domain 1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	202	ChEMBL_2526585	Inhibition of RSK2 domain 1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	203	ChEMBL_2526586	Inhibition of SGK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	204	ChEMBL_2526587	Inhibition of SGK3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	205	ChEMBL_2526588	Inhibition of SLK in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	206	ChEMBL_2526590	Inhibition of ALS2CR2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	207	ChEMBL_2526591	Inhibition of TLK1 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	208	ChEMBL_2526592	Inhibition of TLK2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	209	ChEMBL_2526593	Inhibition of ULK2 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	210	ChEMBL_2526594	Inhibition of ULK3 in human HeLa cells lysate pre incubated for 15 mins followed by ADP acyl phosphate probe addition and measured after 10 mins by LC-MS/MS analysis
50022554	211	ChEMBL_2527215	Binding affinity to ERK5 (unknown origin) assessed as dissociation constant by ATP-competition binding assay
50022554	212	ChEMBL_2527216	Binding affinity to DCAMKL2 (unknown origin) assessed as dissociation constant by ATP-competition binding assay
50022554	213	ChEMBL_2527217	Binding affinity to TNK1 (unknown origin) assessed as dissociation constant by ATP-competition binding assay
50022554	214	ChEMBL_2527218	Binding affinity to PLK4 (unknown origin) assessed as dissociation constant by ATP-competition binding assay
50022555	1	ChEMBL_2527284	Inhibition of human recombinant IGF-1 receptor expressed in mouse 3T3 cells treated for 15 mins by ELISA analysis
50022555	2	ChEMBL_2527288	Inhibition of human recombinant IGF-1 receptor in presence of ATP by ELISA analysis
50022555	3	ChEMBL_2527312	Inhibition of human recombinant IGF-1 receptor expressed in mouse 3T3 cells treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	4	ChEMBL_2527319	Inhibition of human recombinant IGF-1 receptor in presence of 100 uM ATP treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	5	ChEMBL_2527320	Inhibition of ERK1/2 phosphorylation (unknown origin) expressed in mouse 3T3 cells treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	6	ChEMBL_2527323	Inhibition of IR (unknown origin) in presence of 100 uM ATP treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	7	ChEMBL_2527324	Inhibition of IRR (unknown origin) in presence of 100 uM ATP treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	8	ChEMBL_2527326	Inhibition of ALK (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	9	ChEMBL_2527327	Inhibition of BTK (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	10	ChEMBL_2527328	Inhibition of EGFR (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	11	ChEMBL_2527329	Inhibition of EPHA1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	12	ChEMBL_2527330	Inhibition of EPHB1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	13	ChEMBL_2527331	Inhibition of FES (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	14	ChEMBL_2527333	Inhibition of FYN (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	15	ChEMBL_2527335	Inhibition of PKC-alpha (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	16	ChEMBL_2527336	Inhibition of ROCK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	17	ChEMBL_2527337	Inhibition of IRAK4 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	18	ChEMBL_2527338	Inhibition of JAK2 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	19	ChEMBL_2527339	Inhibition of KDR (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	20	ChEMBL_2527340	Inhibition of Lck (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	21	ChEMBL_2527341	Inhibition of LYN A (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	22	ChEMBL_2527342	Inhibition of LYN B (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	23	ChEMBL_2527343	Inhibition of MET (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	24	ChEMBL_2527344	Inhibition of TRKA (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	25	ChEMBL_2527346	Inhibition of FAK (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	26	ChEMBL_2527347	Inhibition of BRK (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	27	ChEMBL_2527348	Inhibition of RET (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	28	ChEMBL_2527349	Inhibition of PIM1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	29	ChEMBL_2527350	Inhibition of CDK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	30	ChEMBL_2527351	Inhibition of DYRK3 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	31	ChEMBL_2527352	Inhibition of RON (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	32	ChEMBL_2527353	Inhibition of ROS1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	33	ChEMBL_2527354	Inhibition of SRC (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	34	ChEMBL_2527355	Inhibition of TEK (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	35	ChEMBL_2527356	Inhibition of MEK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	36	ChEMBL_2527357	Inhibition of PAK3 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	37	ChEMBL_2527358	Inhibition of TAOK2 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	38	ChEMBL_2527359	Inhibition of AKT1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	39	ChEMBL_2527360	Inhibition of AKT2 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	40	ChEMBL_2527361	Inhibition of Aurora A (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	41	ChEMBL_2527362	Inhibition of Aurora B (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	42	ChEMBL_2527363	Inhibition of PDK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	43	ChEMBL_2527364	Inhibition of PLK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	44	ChEMBL_2527365	Inhibition of P38alpha (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	45	ChEMBL_2527366	Inhibition of ERK1 (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	46	ChEMBL_2527367	Inhibition of GSK3alpha (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	47	ChEMBL_2527368	Inhibition of CAMK1D (unknown origin) in presence of ATP Km treated at 2 hrs followed by IGF1 ligand addition for 15 mins by ELISA analysis
50022555	48	ChEMBL_2527456	Inhibition of human recombinant IGF-1 receptor expressed in mouse Hepa-1 cells treated for 15 mins by ELISA analysis
50022555	49	ChEMBL_2527471	Inhibition of human recombinant IGF-1 receptor in 90% mouse plasma measured by HPLC-MS/MS analysis
50022555	50	ChEMBL_2527472	Inhibition of human recombinant IGF-1 receptor in 90% human plasma measured by HPLC-MS/MS analysis
50022556	1	ChEMBL_2527520	Inhibition of EGFR (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	2	ChEMBL_2527521	Inhibition of ErbB2 (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	3	ChEMBL_2527522	Inhibition of ErbB4 (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	4	ChEMBL_2527523	Inhibition of Flt-1 (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	5	ChEMBL_2527524	Inhibition of KDR (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	6	ChEMBL_2527525	Inhibition of PDGFRalpha (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	7	ChEMBL_2527526	Inhibition of PDGFRbeta (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	8	ChEMBL_2527527	Inhibition of c-Src (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	9	ChEMBL_2527528	Inhibition of c-Met (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	10	ChEMBL_2527529	Inhibition of c-Kit (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	11	ChEMBL_2527530	Inhibition of IGF1R (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	12	ChEMBL_2527531	Inhibition of FGFR1 (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	13	ChEMBL_2527532	Inhibition of RON (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	14	ChEMBL_2527533	Inhibition of c-Abl (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	15	ChEMBL_2527534	Inhibition of EphA2 (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	16	ChEMBL_2527535	Inhibition of EphB2 (unknown origin) expressed in Bac-to-Bac baculovirus expression system using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	17	ChEMBL_2527536	Inhibition of N-terminal GST-tagged recombinant human Tie2 (771 to end residues) cytoplasmic domain expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	18	ChEMBL_2527538	Inhibition of N-terminal GST-tagged recombinant human full length SYK expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	19	ChEMBL_2527539	Inhibition of N-terminal GST-tagged recombinant human full length PKCb2 expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	20	ChEMBL_2527540	Inhibition of N-terminal GST-tagged recombinant human p70S6K1 (1 to 421 residues) catalytic domain expressed in baculovirus infected sf21 insect cells co-expressing N-terminal GST-tagged PDK1 using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	21	ChEMBL_2527541	Inhibition of N-terminal His-tagged recombinant human JAK2 (826 to end residues) catalytic domain expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	22	ChEMBL_2527542	Inhibition of N-terminal GST-tagged recombinant human full length PIM2 expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	23	ChEMBL_2527543	Inhibition of N-terminal GST-tagged recombinant human AKT1 (104 to end residues) catalytic domain expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	24	ChEMBL_2527544	Inhibition of N-terminal GST-tagged recombinant human full length AURA expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	25	ChEMBL_2527545	Inhibition of recombinant human full length CDK2 expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	26	ChEMBL_2527546	Inhibition of N-terminal GST-tagged recombinant human full length GSK3b expressed in baculovirus infected sf21 insect cells using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022556	27	ChEMBL_2527547	Inhibition of EGFR T790M/L858R double mutant (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substrate in presence of ATP incubated for 60 mins by ELISA
50022557	1	ChEMBL_2527687	Inhibition of recombinant human c-Met in presence of NADH by spectrophotometric assay
50022557	2	ChEMBL_2527688	Inhibition of c-Met phosphorylation in HGF-stimulated human A549 cells incubated for 1 hr by sandwich ELISA analysis
50022557	3	ChEMBL_2527689	Inhibition of c-Met phosphorylation in HGF-stimulated human MDA-MB-231 cells incubated for 1 hr by sandwich ELISA analysis
50022557	4	ChEMBL_2527690	Inhibition of c-Met phosphorylation in HGF-stimulated human GTL 16 cells incubated for 1 hr by sandwich ELISA analysis
50022557	5	ChEMBL_2527691	Inhibition of c-Met phosphorylation in HGF-stimulated human NCI-H1993 cells incubated for 1 hr by sandwich ELISA analysis
50022557	6	ChEMBL_2527692	Inhibition of c-Met phosphorylation in HGF-stimulated human NCI-H441 cells incubated for 1 hr by sandwich ELISA analysis
50022557	7	ChEMBL_2527693	Inhibition of c-Met phosphorylation in HGF-stimulated human COLO 205 cells incubated for 1 hr by sandwich ELISA analysis
50022557	8	ChEMBL_2527694	Inhibition of c-Met phosphorylation in HGF-stimulated human U87 cells incubated for 1 hr by sandwich ELISA analysis
50022557	9	ChEMBL_2527695	Inhibition of c-Met phosphorylation in HGF-stimulated HUVEC cells incubated for 1 hr by sandwich ELISA analysis
50022557	10	ChEMBL_2527696	Inhibition of c-Met phosphorylation in HGF-stimulated dog MDCK cells incubated for 1 hr by sandwich ELISA analysis
50022557	11	ChEMBL_2527697	Inhibition of c-Met phosphorylation in HGF-stimulated mIMCD3 cells incubated for 1 hr by sandwich ELISA analysis
50022557	12	ChEMBL_2527718	Inhibition of Ron expressed in mouse NIH3T3 cells assessed as reduction in MSP-stimulated RON phosphorylation incubated for 1 hr by sandwich ELISA analysis
50022557	13	ChEMBL_2527719	Inhibition of AXL expressed in HEK293 cells assessed as reduction in Gas6-stimulated AXL phosphorylation incubated for 1 hr by sandwich ELISA analysis
50022557	14	ChEMBL_2527720	Inhibition of MER expressed in HEK293 cells assessed as reduction in Gas6-stimulated MER phosphorylation incubated for 1 hr by sandwich ELISA analysis
50022557	15	ChEMBL_2527721	Inhibition of Insulin receptor expressed in HEK293 cells assessed as reduction insulin-stimulated INSR phosphorylation incubated for 1 hr by sandwich ELISA analysis
50022557	16	ChEMBL_2527722	Inhibition of IGF1R expressed in mouse NIH3T3 cells assessed as reduction in IGF-stimulated IGF1R phosphorylation incubated for 1 hr by sandwich ELISA analysis
50022557	17	ChEMBL_2527723	Inhibition of NPM-ALK phosphorylation in human KARPAS-299 cells incubated for 1 hr by sandwich ELISA analysis
50022557	18	ChEMBL_2527724	Inhibition of SLC34A2-Ros phosphorylation in human HCC87 cells incubated for 1 hr by sandwich ELISA analysis
50022557	19	ChEMBL_2527775	Inhibition of human c-Met H1094R mutant expressed in mouse NIH3T3 cells assessed as reduction in HGF-stimulated c-Met phosphorylation incubated for 1 hr by ELISA analysis
50022557	20	ChEMBL_2527776	Inhibition of human c-Met M1250T mutant expressed in mouse NIH3T3 cells assessed as reduction in HGF-stimulated c-Met phosphorylation incubated for 1 hr by ELISA analysis
50022557	21	ChEMBL_2527779	Inhibition of human c-Met Y1230C mutant expressed in mouse NIH3T3 cells assessed as reduction in HGF-stimulated c-Met phosphorylation incubated for 1 hr by ELISA analysis
50022557	22	ChEMBL_2527780	Inhibition of human c-Met Y1235D mutant expressed in human T47D cells assessed as reduction in HGF-stimulated c-Met phosphorylation incubated for 1 hr by ELISA analysis
50022557	23	ChEMBL_2527783	Inhibition of c-Met phosphorylation in HGF-stimulated human HT-29 cells incubated for 1 hr by sandwich ELISA analysis
50022558	1	ChEMBL_2528041	Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	2	ChEMBL_2528042	Inhibition of human N-terminal GST-fused ALK F1174L mutant cytoplasmic domain (1058 to 1620(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	3	ChEMBL_2528043	Inhibition of human N-terminal GST-fused ALK R1275Q mutant cytoplasmic domain (1058 to 1620(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	4	ChEMBL_2528044	Inhibition of human N-terminal GST-fused NPM1-ALK (1 to 680 residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	5	ChEMBL_2528045	Inhibition of human N-terminal GST-fused ACK catalytic domain (110 to 476 residues) expressed in baculovirus expression system using WASP peptide as substrate measured after 5 hrs by off-chip mobility shift assay relative to control
50022558	6	ChEMBL_2528046	Inhibition of human N-terminal GST-fused AXL cytoplasmic domain (464 to 885(end) residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	7	ChEMBL_2528047	Inhibition of human N-terminal GST-fused EGFR L858R mutant cytoplasmic domain (669 to 1210(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	8	ChEMBL_2528048	Inhibition of human N-terminal GST-fused EPHA2 cytoplasmic domain (572 to 976(end) residues) expressed in baculovirus expression system using Blk/Lyntide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	9	ChEMBL_2528049	Inhibition of human N-terminal GST-fused EPHA6 cytoplasmic domain (683 to 1130(end) residues) expressed in baculovirus expression system using Blk/Lyntide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	10	ChEMBL_2528050	Inhibition of human N-terminal GST-fused EPHB4 cytoplasmic domain (577 to 987(end) residues) expressed in baculovirus expression system using Blk/Lyntide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	11	ChEMBL_2528051	Inhibition of human N-terminal GST-fused FRK catalytic domain (223 to 505(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	12	ChEMBL_2528052	Inhibition of human N-terminal His-tagged JAK2 catalytic domain (826 to 1132(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	13	ChEMBL_2528053	Inhibition of human full-length N-terminal GST-fused LCK (1 to 509(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	14	ChEMBL_2528054	Inhibition of human N-terminal GST-fused LTK catalytic domain (498 to 796 residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	15	ChEMBL_2528055	Inhibition of human N-terminal GST-fused MER cytoplasmic domain (528 to 999(end) residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	16	ChEMBL_2528056	Inhibition of human N-terminal GST-fused MET cytoplasmic domain ([956 to 1390(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	17	ChEMBL_2528057	Inhibition of human N-terminal GST-fused MUSK catalytic domain (527 to 869(end) residues) expressed in baculovirus expression system using CSKtide as substrate measured after 5 hrs by off-chip mobility shift assay relative to control
50022558	18	ChEMBL_2528058	Inhibition of human N-terminal GST-fused RON cytoplasmic domain (979 to 1400(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	19	ChEMBL_2528059	Inhibition of human N-terminal GST-fused ROS cytoplasmic domain (1883 to 2347(end) residues) expressed in baculovirus expression system using IRS1 as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	20	ChEMBL_2528060	Inhibition of human N-terminal GST-fused TNK1 isoform 2 catalytic domain (106 to 390 residues) expressed in baculovirus expression system using CSKtide as substrate measured after 5 hrs by off-chip mobility shift assay relative to control
50022558	21	ChEMBL_2528061	Inhibition of human N-terminal GST-fused TRKA cytoplasmic domain (436 to 790(end) residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	22	ChEMBL_2528062	Inhibition of human N-terminal GST-fused TRKB cytoplasmic domain (456 to 822(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	23	ChEMBL_2528063	Inhibition of human N-terminal GST-fused TRKC cytoplasmic domain (456 to 825(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	24	ChEMBL_2528064	Inhibition of human N-terminal GST-fused TYRO3 cytoplasmic domain (453 to 890(end) residues) expressed in baculovirus expression system using CSKtide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	25	ChEMBL_2528065	Inhibition of human full-length N-terminal GST-fused YES (1 to 543(end) residues) expressed in baculovirus expression system using Srctide as substrate measured after 1 hr by off-chip mobility shift assay relative to control
50022558	26	ChEMBL_2528123	Inhibition of EML4-ALK (unknown origin) transformed in mouse BaF3 cells by HTRF assay
50022558	27	ChEMBL_2528124	Inhibition of EML4-ALK L1196M mutant (unknown origin) transformed in mouse BaF3 cells by HTRF assay
50022558	28	ChEMBL_2528126	Inhibition of EML4-ALK (unknown origin) expressed in mouse 3T3 cells assessed as growth inhibition measured after 2 days by celltiter-glo luminescent cell viability assay
50022558	29	ChEMBL_2528127	Inhibition of EML4-ALK L1196M mutant (unknown origin) expressed in mouse 3T3 cells assessed as growth inhibition measured after 2 days by celltiter-glo luminescent cell viability assay
50022559	1	ChEMBL_2528254	Binding affinity to recombinant human SMYD3 expressed in Escherichia coli assessed as catalytic inhibition using DYDNPIFEKFGKGGTYPRRYHVSYHGK-Biotin as substrate by scintillation proximity assay
50022559	2	ChEMBL_2528260	Binding affinity to recombinant human SMYD3 expressed in Escherichia coli assessed as dissociation constant by isothermal titration calorimetry
50022559	3	ChEMBL_2528269	Inhibition of SMYD3 catalytic inactive mutant co-expressed with HA-tagged MAP3K2 transfected in human HeLa cells assessed as reduction of MAP3K2-K260me3 level incubated for 20 hrs by Western blotting analysis
50022559	4	ChEMBL_2528271	Binding affinity to biotinylated SMYD3 (unknown origin) assessed as dissociation constant using S-adenosyl-l-methionine as substrate by surface plasmon resonance analysis
50022559	5	ChEMBL_2528309	Inhibition of Aurora A (unknown origin) by HTRF assay
50022559	6	ChEMBL_2528310	Inhibition of Bub1 (unknown origin) in presence of ATP
50022559	7	ChEMBL_2528311	Inhibition of CDK12 (unknown origin) by using c-myc peptide as substrate in presence of ATP
50022559	8	ChEMBL_2528312	Inhibition of CDK13 (unknown origin) by using c-myc peptide as substrate in presence of ATP
50022559	9	ChEMBL_2528313	Inhibition of CDK2/CyclinE (unknown origin) in presence of ATP
50022559	10	ChEMBL_2528314	Inhibition of CSNK1A1 (unknown origin)
50022559	11	ChEMBL_2528315	Inhibition of CSNK1G3 (unknown origin)
50022559	12	ChEMBL_2528316	Inhibition of EGFR (unknown origin) in presence of ATP
50022559	13	ChEMBL_2528317	Inhibition of GST-tagged ERK5 catalytic domain (unknown origin) in presence of ATP
50022559	14	ChEMBL_2528318	Inhibition of FLT3 (unknown origin)
50022559	15	ChEMBL_2528319	Inhibition of FLT4 (unknown origin)
50022559	16	ChEMBL_2528320	Inhibition of GSK-3-beta (unknown origin) by HTRF assay
50022559	17	ChEMBL_2528321	Inhibition of human DYRK1a
50022559	18	ChEMBL_2528322	Inhibition of human PIP4K2A
50022559	19	ChEMBL_2528323	Inhibition of IRAK1 (unknown origin) in presence of ATP
50022559	20	ChEMBL_2528324	Inhibition of IRAK4 (unknown origin) in BGG-buffer in presence of ATP
50022559	21	ChEMBL_2528325	Inhibition of KDR (unknown origin) by HTRF assay
50022559	22	ChEMBL_2528326	Inhibition of MAP4K1 (unknown origin) by competition binding assay
50022559	23	ChEMBL_2528327	Inhibition of MEK5 (unknown origin) by competition binding assay
50022559	24	ChEMBL_2528328	Inhibition of MKNK1 (unknown origin) in presence of ATP
50022559	25	ChEMBL_2528329	Inhibition of MKNK2 (unknown origin) in presence of ATP
50022559	26	ChEMBL_2528330	Inhibition of MST1 (unknown origin)
50022559	27	ChEMBL_2528331	Inhibition of mouse DGK alpha by ADP-Glo assay
50022559	28	ChEMBL_2528332	Inhibition of NUAK1 (unknown origin) in presence of ATP
50022559	29	ChEMBL_2528333	Inhibition of p38alpha (unknown origin) by competition binding assay
50022559	30	ChEMBL_2528334	Inhibition of PDGFR beta (unknown origin)
50022559	31	ChEMBL_2528335	Inhibition of RSK4 (unknown origin)
50022559	32	ChEMBL_2528336	Inhibition of Tak1 (unknown origin) in presence of ATP
50022559	33	ChEMBL_2528337	Inhibition of Tak1 (unknown origin) by competition binding assay
50022559	34	ChEMBL_2528338	Inhibition of TBK1 (unknown origin) in presence of ATP by HTRF assay
50022559	35	ChEMBL_2528339	Inhibition of T-Fyn (unknown origin) by HTRF assay
50022559	36	ChEMBL_2528340	Inhibition of human TRK-A
50022560	1	ChEMBL_2537787	Inhibition of SMYD2 (unknown origin) using p53(361-380) peptide as a substrate incubated for 1 hr by scintillation proximity assay
50022560	2	ChEMBL_2537789	Inhibition of FLAG-tagged SMYD2 methylation co-transfected in human HEK293 cells assessed as decrease in levels of p53 Lys370 me1 by Western blot analysis
50022560	4	ChEMBL_2537827	Inhibition of human ABL1 by discoverX kinome scan assay
50022560	5	ChEMBL_2537828	Inhibition of human ABL1 F317I mutant by discoverX kinome scan assay
50022560	6	ChEMBL_2537829	Inhibition of human ABL1 F317L mutant by discoverX kinome scan assay
50022560	7	ChEMBL_2537838	Inhibition of human ABL1 Q252H mutant by discoverX kinome scan assay
50022560	8	ChEMBL_2537839	Inhibition of human ABL1 T315I mutant by discoverX kinome scan assay
50022560	9	ChEMBL_2537841	Inhibition of human ABL2 by discoverX kinome scan assay
50022560	10	ChEMBL_2537842	Inhibition of human ACVR1 by discoverX kinome scan assay
50022560	11	ChEMBL_2537843	Inhibition of human ACVR1B by discoverX kinome scan assay
50022560	12	ChEMBL_2537844	Inhibition of human ACVR2A by discoverX kinome scan assay
50022560	13	ChEMBL_2537845	Inhibition of human ACVR2B by discoverX kinome scan assay
50022560	14	ChEMBL_2537846	Inhibition of human ACVRL1 by discoverX kinome scan assay
50022560	15	ChEMBL_2537847	Inhibition of human ADCK3 by discoverX kinome scan assay
50022560	16	ChEMBL_2537848	Inhibition of human ADCK4 by discoverX kinome scan assay
50022560	17	ChEMBL_2537849	Inhibition of human AKT1 by discoverX kinome scan assay
50022560	18	ChEMBL_2537850	Inhibition of human AKT2 by discoverX kinome scan assay
50022560	19	ChEMBL_2537851	Inhibition of human AKT3 by discoverX kinome scan assay
50022560	20	ChEMBL_2537852	Inhibition of human ALK by discoverX kinome scan assay
50022560	21	ChEMBL_2537853	Inhibition of human ALKC1156Y mutant by discoverX kinome scan assay
50022560	22	ChEMBL_2537854	Inhibition of human ALKL1196M mutant by discoverX kinome scan assay
50022560	23	ChEMBL_2537855	Inhibition of human AMPK-alpha1 by discoverX kinome scan assay
50022560	24	ChEMBL_2537856	Inhibition of human AMPK-alpha2 by discoverX kinome scan assay
50022560	25	ChEMBL_2537857	Inhibition of human ANKK1 by discoverX kinome scan assay
50022560	26	ChEMBL_2537858	Inhibition of human ARK5 by discoverX kinome scan assay
50022560	27	ChEMBL_2537859	Inhibition of human ASK1 by discoverX kinome scan assay
50022560	28	ChEMBL_2537860	Inhibition of human ASK2 by discoverX kinome scan assay
50022560	29	ChEMBL_2537861	Inhibition of human AURKA by discoverX kinome scan assay
50022560	30	ChEMBL_2537862	Inhibition of human AURKB by discoverX kinome scan assay
50022560	31	ChEMBL_2537863	Inhibition of human AURKC by discoverX kinome scan assay
50022560	32	ChEMBL_2537864	Inhibition of human AXL by discoverX kinome scan assay
50022560	33	ChEMBL_2537866	Inhibition of human BIKE by discoverX kinome scan assay
50022560	34	ChEMBL_2537867	Inhibition of human BLK by discoverX kinome scan assay
50022560	35	ChEMBL_2537868	Inhibition of human BMPR1A by discoverX kinome scan assay
50022560	36	ChEMBL_2537869	Inhibition of human BMPR1B by discoverX kinome scan assay
50022560	37	ChEMBL_2537870	Inhibition of human BMPR2 by discoverX kinome scan assay
50022560	38	ChEMBL_2537871	Inhibition of human BMX by discoverX kinome scan assay
50022560	39	ChEMBL_2537872	Inhibition of human BRAF by discoverX kinome scan assay
50022560	40	ChEMBL_2537873	Inhibition of human BRAFV600E mutant by discoverX kinome scan assay
50022560	41	ChEMBL_2537874	Inhibition of human BRSK1 by discoverX kinome scan assay
50022560	42	ChEMBL_2537875	Inhibition of human BRSK2 by discoverX kinome scan assay
50022560	43	ChEMBL_2537876	Inhibition of human BTK by discoverX kinome scan assay
50022560	44	ChEMBL_2537877	Inhibition of human BUB1 by discoverX kinome scan assay
50022560	45	ChEMBL_2537878	Inhibition of human CAMK1 by discoverX kinome scan assay
50022560	46	ChEMBL_2537879	Inhibition of human CAMK1D by discoverX kinome scan assay
50022560	47	ChEMBL_2537880	Inhibition of human CAMK1G by discoverX kinome scan assay
50022560	48	ChEMBL_2537881	Inhibition of human CAMK2A by discoverX kinome scan assay
50022560	49	ChEMBL_2537882	Inhibition of human CAMK2B by discoverX kinome scan assay
50022560	50	ChEMBL_2537883	Inhibition of human CAMK2D by discoverX kinome scan assay
50022560	51	ChEMBL_2537884	Inhibition of human CAMK2G by discoverX kinome scan assay
50022560	52	ChEMBL_2537885	Inhibition of human CAMK4 by discoverX kinome scan assay
50022560	53	ChEMBL_2537886	Inhibition of human CAMKK1 by discoverX kinome scan assay
50022560	54	ChEMBL_2537887	Inhibition of human CAMKK2 by discoverX kinome scan assay
50022560	55	ChEMBL_2537888	Inhibition of human CDKL2 by discoverX kinome scan assay
50022560	56	ChEMBL_2537889	Inhibition of human CDKL3 by discoverX kinome scan assay
50022560	57	ChEMBL_2537890	Inhibition of human CDKL5 by discoverX kinome scan assay
50022560	58	ChEMBL_2537891	Inhibition of human CHEK1 by discoverX kinome scan assay
50022560	59	ChEMBL_2537892	Inhibition of human CHEK2 by discoverX kinome scan assay
50022560	60	ChEMBL_2537893	Inhibition of human CIT by discoverX kinome scan assay
50022560	61	ChEMBL_2537894	Inhibition of human CLK1 by discoverX kinome scan assay
50022560	62	ChEMBL_2537895	Inhibition of human CLK2 by discoverX kinome scan assay
50022560	63	ChEMBL_2537896	Inhibition of human CLK3 by discoverX kinome scan assay
50022560	64	ChEMBL_2537897	Inhibition of human CLK4 by discoverX kinome scan assay
50022560	65	ChEMBL_2537898	Inhibition of human CSF1R by discoverX kinome scan assay
50022560	66	ChEMBL_2537900	Inhibition of human CSK by discoverX kinome scan assay
50022560	67	ChEMBL_2537901	Inhibition of human CSNK1A1 by discoverX kinome scan assay
50022560	68	ChEMBL_2537902	Inhibition of human CSNK1A1L by discoverX kinome scan assay
50022560	69	ChEMBL_2537903	Inhibition of human CSNK1D by discoverX kinome scan assay
50022560	70	ChEMBL_2537904	Inhibition of human CSNK1E by discoverX kinome scan assay
50022560	71	ChEMBL_2537905	Inhibition of human CSNK1G1 by discoverX kinome scan assay
50022560	72	ChEMBL_2537906	Inhibition of human CSNK1G2 by discoverX kinome scan assay
50022560	73	ChEMBL_2537907	Inhibition of human CSNK1G3 by discoverX kinome scan assay
50022560	74	ChEMBL_2537908	Inhibition of human CSNK2A1 by discoverX kinome scan assay
50022560	75	ChEMBL_2537909	Inhibition of human CSNK2A2 by discoverX kinome scan assay
50022560	76	ChEMBL_2537910	Inhibition of human CTK by discoverX kinome scan assay
50022560	77	ChEMBL_2537911	Inhibition of human DAPK1 by discoverX kinome scan assay
50022560	78	ChEMBL_2537912	Inhibition of human DAPK2 by discoverX kinome scan assay
50022560	79	ChEMBL_2537913	Inhibition of human DAPK3 by discoverX kinome scan assay
50022560	80	ChEMBL_2537914	Inhibition of human DCAMKL1 by discoverX kinome scan assay
50022560	81	ChEMBL_2537915	Inhibition of human DCAMKL2 by discoverX kinome scan assay
50022560	82	ChEMBL_2537916	Inhibition of human DCAMKL3 by discoverX kinome scan assay
50022560	83	ChEMBL_2537917	Inhibition of human DDR1 by discoverX kinome scan assay
50022560	84	ChEMBL_2537918	Inhibition of human DDR2 by discoverX kinome scan assay
50022560	85	ChEMBL_2537919	Inhibition of human DLK by discoverX kinome scan assay
50022560	86	ChEMBL_2537920	Inhibition of human DMPK by discoverX kinome scan assay
50022560	87	ChEMBL_2537921	Inhibition of human DMPK2 by discoverX kinome scan assay
50022560	88	ChEMBL_2537922	Inhibition of human DRAK1 by discoverX kinome scan assay
50022560	89	ChEMBL_2537923	Inhibition of human DRAK2 by discoverX kinome scan assay
50022560	90	ChEMBL_2537924	Inhibition of human DYRK1A by discoverX kinome scan assay
50022560	91	ChEMBL_2537925	Inhibition of human DYRK1B by discoverX kinome scan assay
50022560	92	ChEMBL_2537926	Inhibition of human DYRK2 by discoverX kinome scan assay
50022560	93	ChEMBL_2537927	Inhibition of human EGFR by discoverX kinome scan assay
50022560	94	ChEMBL_2537928	Inhibition of human EGFR E746/A750del by discoverX kinome scan assay
50022560	95	ChEMBL_2537929	Inhibition of human EGFRG719C mutant by discoverX kinome scan assay
50022560	96	ChEMBL_2537930	Inhibition of human EGFRG719S mutant by discoverX kinome scan assay
50022560	97	ChEMBL_2537933	Inhibition of human EGFR Sins by discoverX kinome scan assay
50022560	98	ChEMBL_2537934	Inhibition of human EGFR L858R mutant by discoverX kinome scan assay
50022560	99	ChEMBL_2537935	Inhibition of human EGFR L858R/T790M double mutant by discoverX kinome scan assay
50022560	100	ChEMBL_2537936	Inhibition of human EGFR L861Q mutant by discoverX kinome scan assay
50022560	101	ChEMBL_2537938	Inhibition of human EGFR T790M mutant by discoverX kinome scan assay
50022560	102	ChEMBL_2537939	Inhibition of human EIF2AK1 by discoverX kinome scan assay
50022560	103	ChEMBL_2537940	Inhibition of human EPHA1 by discoverX kinome scan assay
50022560	104	ChEMBL_2537941	Inhibition of human EPHA2 by discoverX kinome scan assay
50022560	105	ChEMBL_2537942	Inhibition of human EPHA3 by discoverX kinome scan assay
50022560	106	ChEMBL_2537943	Inhibition of human EPHA4 by discoverX kinome scan assay
50022560	107	ChEMBL_2537944	Inhibition of human EPHA5 by discoverX kinome scan assay
50022560	108	ChEMBL_2537945	Inhibition of human EPHA6 by discoverX kinome scan assay
50022560	109	ChEMBL_2537946	Inhibition of human EPHA7 by discoverX kinome scan assay
50022560	110	ChEMBL_2537947	Inhibition of human EPHA8 by discoverX kinome scan assay
50022560	111	ChEMBL_2537948	Inhibition of human EPHB1 by discoverX kinome scan assay
50022560	112	ChEMBL_2537949	Inhibition of human EPHB2 by discoverX kinome scan assay
50022560	113	ChEMBL_2537950	Inhibition of human EPHB3 by discoverX kinome scan assay
50022560	114	ChEMBL_2537951	Inhibition of human EPHB4 by discoverX kinome scan assay
50022560	115	ChEMBL_2537952	Inhibition of human ERBB2 by discoverX kinome scan assay
50022560	116	ChEMBL_2537953	Inhibition of human ERBB3 by discoverX kinome scan assay
50022560	117	ChEMBL_2537954	Inhibition of human ERBB4 by discoverX kinome scan assay
50022560	118	ChEMBL_2537955	Inhibition of human ERK1 by discoverX kinome scan assay
50022560	119	ChEMBL_2537956	Inhibition of human ERK2 by discoverX kinome scan assay
50022560	120	ChEMBL_2537957	Inhibition of human ERK3 by discoverX kinome scan assay
50022560	121	ChEMBL_2537958	Inhibition of human ERK4 by discoverX kinome scan assay
50022560	122	ChEMBL_2537959	Inhibition of human ERK5 by discoverX kinome scan assay
50022560	123	ChEMBL_2537960	Inhibition of human ERK8 by discoverX kinome scan assay
50022560	124	ChEMBL_2537961	Inhibition of human ERN1 by discoverX kinome scan assay
50022560	125	ChEMBL_2537962	Inhibition of human FAK by discoverX kinome scan assay
50022560	126	ChEMBL_2537963	Inhibition of human FER by discoverX kinome scan assay
50022560	127	ChEMBL_2537964	Inhibition of human FES by discoverX kinome scan assay
50022560	128	ChEMBL_2537965	Inhibition of human FGFR1 by discoverX kinome scan assay
50022560	129	ChEMBL_2537966	Inhibition of human FGFR2 by discoverX kinome scan assay
50022560	130	ChEMBL_2537967	Inhibition of human FGFR3 by discoverX kinome scan assay
50022560	131	ChEMBL_2537968	Inhibition of human FGFR3 G697C mutant by discoverX kinome scan assay
50022560	132	ChEMBL_2537969	Inhibition of human FGFR4 by discoverX kinome scan assay
50022560	133	ChEMBL_2537970	Inhibition of human FGR by discoverX kinome scan assay
50022560	134	ChEMBL_2537971	Inhibition of human FLT1 by discoverX kinome scan assay
50022560	135	ChEMBL_2537972	Inhibition of human FLT3 by discoverX kinome scan assay
50022560	136	ChEMBL_2537973	Inhibition of human FLT3 D835H mutant by discoverX kinome scan assay
50022560	137	ChEMBL_2537974	Inhibition of human FLT3 D835Y mutant by discoverX kinome scan assay
50022560	138	ChEMBL_2537975	Inhibition of human FLT3 ITD mutant by discoverX kinome scan assay
50022560	139	ChEMBL_2537976	Inhibition of human FLT3 K663Q mutant by discoverX kinome scan assay
50022560	140	ChEMBL_2537977	Inhibition of human FLT3 N841I mutant by discoverX kinome scan assay
50022560	141	ChEMBL_2537978	Inhibition of human FLT3 R834Q mutant by discoverX kinome scan assay
50022560	142	ChEMBL_2537980	Inhibition of human FLT4 by discoverX kinome scan assay
50022560	143	ChEMBL_2537981	Inhibition of human FRK by discoverX kinome scan assay
50022560	144	ChEMBL_2537982	Inhibition of human FYN by discoverX kinome scan assay
50022560	145	ChEMBL_2537983	Inhibition of human GAK by discoverX kinome scan assay
50022560	146	ChEMBL_2537984	Inhibition of human GCN2 S808G mutant by discoverX kinome scan assay
50022560	147	ChEMBL_2537985	Inhibition of human GRK1 by discoverX kinome scan assay
50022560	148	ChEMBL_2537986	Inhibition of human GRK4 by discoverX kinome scan assay
50022560	149	ChEMBL_2537987	Inhibition of human GRK7 by discoverX kinome scan assay
50022560	150	ChEMBL_2537988	Inhibition of human GSK3A by discoverX kinome scan assay
50022560	151	ChEMBL_2537989	Inhibition of human GSK3B by discoverX kinome scan assay
50022560	152	ChEMBL_2537990	Inhibition of human HASPIN by discoverX kinome scan assay
50022560	153	ChEMBL_2537991	Inhibition of human HCK by discoverX kinome scan assay
50022560	154	ChEMBL_2537992	Inhibition of human HIPK1 by discoverX kinome scan assay
50022560	155	ChEMBL_2537993	Inhibition of human HIPK2 by discoverX kinome scan assay
50022560	156	ChEMBL_2537994	Inhibition of human HIPK3 by discoverX kinome scan assay
50022560	157	ChEMBL_2537995	Inhibition of human HIPK4 by discoverX kinome scan assay
50022560	158	ChEMBL_2537996	Inhibition of human HPK1 by discoverX kinome scan assay
50022560	159	ChEMBL_2537997	Inhibition of human HUNK by discoverX kinome scan assay
50022560	160	ChEMBL_2537998	Inhibition of human ICK by discoverX kinome scan assay
50022560	161	ChEMBL_2537999	Inhibition of human IGF1R by discoverX kinome scan assay
50022560	162	ChEMBL_2538000	Inhibition of human IKK-alpha by discoverX kinome scan assay
50022560	163	ChEMBL_2538001	Inhibition of human IKK-beta by discoverX kinome scan assay
50022560	164	ChEMBL_2538002	Inhibition of human IKK-epsilon by discoverX kinome scan assay
50022560	165	ChEMBL_2538003	Inhibition of human INSR by discoverX kinome scan assay
50022560	166	ChEMBL_2538004	Inhibition of human INSRR by discoverX kinome scan assay
50022560	167	ChEMBL_2538005	Inhibition of human IRAK1 by discoverX kinome scan assay
50022560	168	ChEMBL_2538006	Inhibition of human IRAK3 by discoverX kinome scan assay
50022560	169	ChEMBL_2538007	Inhibition of human IRAK4 by discoverX kinome scan assay
50022560	170	ChEMBL_2538008	Inhibition of human ITK by discoverX kinome scan assay
50022560	171	ChEMBL_2538009	Inhibition of human JAK1 (JH1Dom-catalytic) by discoverX kinome scan assay
50022560	172	ChEMBL_2538010	Inhibition of human JAK1 (JH1Dom-pseudokinase) by discoverX kinome scan assay
50022560	173	ChEMBL_2538011	Inhibition of human JAK2 (JH1Dom-catalytic) by discoverX kinome scan assay
50022560	174	ChEMBL_2538012	Inhibition of human JAK3 (JH1Dom-catalytic) by discoverX kinome scan assay
50022560	175	ChEMBL_2538013	Inhibition of human JNK1 by discoverX kinome scan assay
50022560	176	ChEMBL_2538014	Inhibition of human JNK2 by discoverX kinome scan assay
50022560	177	ChEMBL_2538015	Inhibition of human JNK3 by discoverX kinome scan assay
50022560	178	ChEMBL_2538016	Inhibition of human KIT by discoverX kinome scan assay
50022560	179	ChEMBL_2538017	Inhibition of human KIT A829P mutant by discoverX kinome scan assay
50022560	180	ChEMBL_2538018	Inhibition of human KIT D816H mutant by discoverX kinome scan assay
50022560	181	ChEMBL_2538019	Inhibition of human KIT D816V mutant by discoverX kinome scan assay
50022560	182	ChEMBL_2538020	Inhibition of human KIT L576P mutant by discoverX kinome scan assay
50022560	183	ChEMBL_2538021	Inhibition of human KIT V559D mutant by discoverX kinome scan assay
50022560	184	ChEMBL_2538022	Inhibition of human KIT V559D/T670I double mutant by discoverX kinome scan assay
50022560	185	ChEMBL_2538023	Inhibition of human KIT V559D/V654A double mutant by discoverX kinome scan assay
50022560	186	ChEMBL_2538025	Inhibition of human LATS1 by discoverX kinome scan assay
50022560	187	ChEMBL_2538026	Inhibition of human LATS2 by discoverX kinome scan assay
50022560	188	ChEMBL_2538027	Inhibition of human LCK by discoverX kinome scan assay
50022560	189	ChEMBL_2538028	Inhibition of human LIMK1 by discoverX kinome scan assay
50022560	190	ChEMBL_2538029	Inhibition of human LIMK2 by discoverX kinome scan assay
50022560	191	ChEMBL_2538030	Inhibition of human LKB1 by discoverX kinome scan assay
50022560	192	ChEMBL_2538031	Inhibition of human LOK by discoverX kinome scan assay
50022560	193	ChEMBL_2538032	Inhibition of human LRRK2 by discoverX kinome scan assay
50022560	194	ChEMBL_2538033	Inhibition of human LRRK2 G2019S mutant by discoverX kinome scan assay
50022560	195	ChEMBL_2538034	Inhibition of human LTK by discoverX kinome scan assay
50022560	196	ChEMBL_2538035	Inhibition of human LYN by discoverX kinome scan assay
50022560	197	ChEMBL_2538037	Inhibition of human MAK by discoverX kinome scan assay
50022560	198	ChEMBL_2538038	Inhibition of human MAP3K1 by discoverX kinome scan assay
50022560	199	ChEMBL_2538039	Inhibition of human MAP3K15 by discoverX kinome scan assay
50022560	200	ChEMBL_2538040	Inhibition of human MAP3K2 by discoverX kinome scan assay
50022560	201	ChEMBL_2538041	Inhibition of human MAP3K3 by discoverX kinome scan assay
50022560	202	ChEMBL_2538042	Inhibition of human MAP4K5 by discoverX kinome scan assay
50022560	203	ChEMBL_2538043	Inhibition of human MAP3K4 by discoverX kinome scan assay
50022560	204	ChEMBL_2538044	Inhibition of human MAP4K2 by discoverX kinome scan assay
50022560	205	ChEMBL_2538045	Inhibition of human MAP4K3 by discoverX kinome scan assay
50022560	206	ChEMBL_2538046	Inhibition of human MAP4K4 by discoverX kinome scan assay
50022560	207	ChEMBL_2538047	Inhibition of human MAPKAPK2 by discoverX kinome scan assay
50022560	208	ChEMBL_2538048	Inhibition of human MAPKAPK5 by discoverX kinome scan assay
50022560	209	ChEMBL_2538049	Inhibition of human MARK1 by discoverX kinome scan assay
50022560	210	ChEMBL_2538050	Inhibition of human MARK2 by discoverX kinome scan assay
50022560	211	ChEMBL_2538051	Inhibition of human MARK3 by discoverX kinome scan assay
50022560	212	ChEMBL_2538052	Inhibition of human MARK4 by discoverX kinome scan assay
50022560	213	ChEMBL_2538053	Inhibition of human MAST1 by discoverX kinome scan assay
50022560	214	ChEMBL_2538054	Inhibition of human MEK1 by discoverX kinome scan assay
50022560	215	ChEMBL_2538055	Inhibition of human MEK2 by discoverX kinome scan assay
50022560	216	ChEMBL_2538056	Inhibition of human MEK3 by discoverX kinome scan assay
50022560	217	ChEMBL_2538057	Inhibition of human MEK4 by discoverX kinome scan assay
50022560	218	ChEMBL_2538058	Inhibition of human MEK5 by discoverX kinome scan assay
50022560	219	ChEMBL_2538059	Inhibition of human MEK6 by discoverX kinome scan assay
50022560	220	ChEMBL_2538060	Inhibition of human MELK by discoverX kinome scan assay
50022560	221	ChEMBL_2538061	Inhibition of human MERTK by discoverX kinome scan assay
50022560	222	ChEMBL_2538062	Inhibition of human MET by discoverX kinome scan assay
50022560	223	ChEMBL_2538063	Inhibition of human MET M1250T mutant by discoverX kinome scan assay
50022560	224	ChEMBL_2538064	Inhibition of human MET Y1235D mutant by discoverX kinome scan assay
50022560	225	ChEMBL_2538065	Inhibition of human MINK by discoverX kinome scan assay
50022560	226	ChEMBL_2538066	Inhibition of human MKK7 by discoverX kinome scan assay
50022560	227	ChEMBL_2538067	Inhibition of human MKNK1 by discoverX kinome scan assay
50022560	228	ChEMBL_2538068	Inhibition of human MKNK2 by discoverX kinome scan assay
50022560	229	ChEMBL_2538069	Inhibition of human MLCK by discoverX kinome scan assay
50022560	230	ChEMBL_2538070	Inhibition of human MLK1 by discoverX kinome scan assay
50022560	231	ChEMBL_2538071	Inhibition of human MLK2 by discoverX kinome scan assay
50022560	232	ChEMBL_2538072	Inhibition of human MLK3 by discoverX kinome scan assay
50022560	233	ChEMBL_2538073	Inhibition of human MRCKA by discoverX kinome scan assay
50022560	234	ChEMBL_2538074	Inhibition of human MRCKB by discoverX kinome scan assay
50022560	235	ChEMBL_2538075	Inhibition of human MST1 by discoverX kinome scan assay
50022560	236	ChEMBL_2538076	Inhibition of human MST1R by discoverX kinome scan assay
50022560	237	ChEMBL_2538077	Inhibition of human MST2 by discoverX kinome scan assay
50022560	238	ChEMBL_2538078	Inhibition of human MST3 by discoverX kinome scan assay
50022560	239	ChEMBL_2538079	Inhibition of human MST4 by discoverX kinome scan assay
50022560	240	ChEMBL_2538080	Inhibition of human MTOR by discoverX kinome scan assay
50022560	241	ChEMBL_2538081	Inhibition of human MUSK by discoverX kinome scan assay
50022560	242	ChEMBL_2538082	Inhibition of human MYLK by discoverX kinome scan assay
50022560	243	ChEMBL_2538083	Inhibition of human MYLK2 by discoverX kinome scan assay
50022560	244	ChEMBL_2538084	Inhibition of human MYLK4 by discoverX kinome scan assay
50022560	245	ChEMBL_2538085	Inhibition of human MYO3A by discoverX kinome scan assay
50022560	246	ChEMBL_2538086	Inhibition of human MYO3B by discoverX kinome scan assay
50022560	247	ChEMBL_2538087	Inhibition of human NDR1 by discoverX kinome scan assay
50022560	248	ChEMBL_2538088	Inhibition of human NDR2 by discoverX kinome scan assay
50022560	249	ChEMBL_2538089	Inhibition of human NEK1 by discoverX kinome scan assay
50022560	250	ChEMBL_2538090	Inhibition of human NEK10 by discoverX kinome scan assay
50022560	251	ChEMBL_2538091	Inhibition of human NEK11 by discoverX kinome scan assay
50022560	252	ChEMBL_2538092	Inhibition of human NEK2 by discoverX kinome scan assay
50022560	253	ChEMBL_2538093	Inhibition of human NEK3 by discoverX kinome scan assay
50022560	254	ChEMBL_2538094	Inhibition of human NEK4 by discoverX kinome scan assay
50022560	255	ChEMBL_2538095	Inhibition of human NEK5 by discoverX kinome scan assay
50022560	256	ChEMBL_2538096	Inhibition of human NEK6 by discoverX kinome scan assay
50022560	257	ChEMBL_2538097	Inhibition of human NEK7 by discoverX kinome scan assay
50022560	258	ChEMBL_2538098	Inhibition of human NEK9 by discoverX kinome scan assay
50022560	259	ChEMBL_2538099	Inhibition of human NIK by discoverX kinome scan assay
50022560	260	ChEMBL_2538100	Inhibition of human NIM1 by discoverX kinome scan assay
50022560	261	ChEMBL_2538101	Inhibition of human NLK by discoverX kinome scan assay
50022560	262	ChEMBL_2538102	Inhibition of human OSR1 by discoverX kinome scan assay
50022560	263	ChEMBL_2538103	Inhibition of human p38-alpha by discoverX kinome scan assay
50022560	264	ChEMBL_2538104	Inhibition of human p38-beta by discoverX kinome scan assay
50022560	265	ChEMBL_2538105	Inhibition of human p38-delta by discoverX kinome scan assay
50022560	266	ChEMBL_2538106	Inhibition of human p38-gamma by discoverX kinome scan assay
50022560	267	ChEMBL_2538107	Inhibition of human PAK1 by discoverX kinome scan assay
50022560	268	ChEMBL_2538108	Inhibition of human PAK2 by discoverX kinome scan assay
50022560	269	ChEMBL_2538109	Inhibition of human PAK3 by discoverX kinome scan assay
50022560	270	ChEMBL_2538110	Inhibition of human PAK4 by discoverX kinome scan assay
50022560	271	ChEMBL_2538111	Inhibition of human PAK6 by discoverX kinome scan assay
50022560	272	ChEMBL_2538112	Inhibition of human PLK4 by discoverX kinome scan assay
50022560	273	ChEMBL_2538113	Inhibition of Plasmodium falciparum CDPK1 by discoverX kinome scan assay
50022560	274	ChEMBL_2538114	Inhibition of Plasmodium falciparum PK5 by discoverX kinome scan assay
50022560	275	ChEMBL_2538115	Inhibition of human PRKCD by discoverX kinome scan assay
50022560	276	ChEMBL_2538116	Inhibition of human PRKCE by discoverX kinome scan assay
50022560	277	ChEMBL_2538117	Inhibition of human PRKCH by discoverX kinome scan assay
50022560	278	ChEMBL_2538118	Inhibition of human PAK7 by discoverX kinome scan assay
50022560	279	ChEMBL_2538119	Inhibition of human PCTK1 by discoverX kinome scan assay
50022560	280	ChEMBL_2538120	Inhibition of human PCTK2 by discoverX kinome scan assay
50022560	281	ChEMBL_2538121	Inhibition of human PCTK3 by discoverX kinome scan assay
50022560	282	ChEMBL_2538122	Inhibition of human PDGFRA by discoverX kinome scan assay
50022560	283	ChEMBL_2538123	Inhibition of human PDGFRB by discoverX kinome scan assay
50022560	284	ChEMBL_2538124	Inhibition of human PDPK1 by discoverX kinome scan assay
50022560	285	ChEMBL_2538125	Inhibition of human PFTAIRE2 by discoverX kinome scan assay
50022560	286	ChEMBL_2538126	Inhibition of human PFTK1 by discoverX kinome scan assay
50022560	287	ChEMBL_2538127	Inhibition of human PHKG1 by discoverX kinome scan assay
50022560	288	ChEMBL_2538128	Inhibition of human PHKG2 by discoverX kinome scan assay
50022560	289	ChEMBL_2538129	Inhibition of human PIK3C2B by discoverX kinome scan assay
50022560	290	ChEMBL_2538130	Inhibition of human PIK3C2G by discoverX kinome scan assay
50022560	291	ChEMBL_2538131	Inhibition of human PIK3CA by discoverX kinome scan assay
50022560	292	ChEMBL_2538132	Inhibition of human PIK3CA C420R mutant by discoverX kinome scan assay
50022560	293	ChEMBL_2538133	Inhibition of human PIK3CA E542K mutant by discoverX kinome scan assay
50022560	294	ChEMBL_2538134	Inhibition of human PIK3CA E545A mutant by discoverX kinome scan assay
50022560	295	ChEMBL_2538135	Inhibition of human PIK3CA E545K mutant by discoverX kinome scan assay
50022560	296	ChEMBL_2538136	Inhibition of human PIK3CA H1047L mutant by discoverX kinome scan assay
50022560	297	ChEMBL_2538137	Inhibition of human PIK3CA H1047Y mutant by discoverX kinome scan assay
50022560	298	ChEMBL_2538138	Inhibition of human PIK3CA I800L mutant by discoverX kinome scan assay
50022560	299	ChEMBL_2538139	Inhibition of human PIK3CA M1043I mutant by discoverX kinome scan assay
50022560	300	ChEMBL_2538140	Inhibition of human PIK3CA Q546K mutant by discoverX kinome scan assay
50022560	301	ChEMBL_2538141	Inhibition of human PIK3CB by discoverX kinome scan assay
50022560	302	ChEMBL_2538142	Inhibition of human PIK3CD by discoverX kinome scan assay
50022560	303	ChEMBL_2538143	Inhibition of human PIK3CG by discoverX kinome scan assay
50022560	304	ChEMBL_2538144	Inhibition of human PIK4CB by discoverX kinome scan assay
50022560	305	ChEMBL_2538145	Inhibition of human PIM1 by discoverX kinome scan assay
50022560	306	ChEMBL_2538146	Inhibition of human PIM2 by discoverX kinome scan assay
50022560	307	ChEMBL_2538147	Inhibition of human PIM3 by discoverX kinome scan assay
50022560	308	ChEMBL_2538148	Inhibition of human PIP5K1A by discoverX kinome scan assay
50022560	309	ChEMBL_2538149	Inhibition of human PIP5K1C by discoverX kinome scan assay
50022560	310	ChEMBL_2538150	Inhibition of human PIP5K2B by discoverX kinome scan assay
50022560	311	ChEMBL_2538151	Inhibition of human PIP5K2C by discoverX kinome scan assay
50022560	312	ChEMBL_2538152	Inhibition of human PKAC-alpha by discoverX kinome scan assay
50022560	313	ChEMBL_2538153	Inhibition of human PKAC-beta by discoverX kinome scan assay
50022560	314	ChEMBL_2538154	Inhibition of human PKMYT1 by discoverX kinome scan assay
50022560	315	ChEMBL_2538155	Inhibition of human PKN1 by discoverX kinome scan assay
50022560	316	ChEMBL_2538156	Inhibition of human PKN2 by discoverX kinome scan assay
50022560	317	ChEMBL_2538157	Inhibition of human PLK1 by discoverX kinome scan assay
50022560	318	ChEMBL_2538158	Inhibition of human PLK2 by discoverX kinome scan assay
50022560	319	ChEMBL_2538159	Inhibition of human PLK3 by discoverX kinome scan assay
50022560	320	ChEMBL_2538160	Inhibition of PRKCI (unknown origin) by discoverX kinome scan assay
50022560	321	ChEMBL_2538161	Inhibition of PRKCQ (unknown origin) by discoverX kinome scan assay
50022560	322	ChEMBL_2538162	Inhibition of PRKD1 (unknown origin) by discoverX kinome scan assay
50022560	323	ChEMBL_2538163	Inhibition of PRKD2 (unknown origin) by discoverX kinome scan assay
50022560	324	ChEMBL_2538164	Inhibition of PRKD3 (unknown origin) by discoverX kinome scan assay
50022560	325	ChEMBL_2538165	Inhibition of PRKG1 (unknown origin) by discoverX kinome scan assay
50022560	326	ChEMBL_2538166	Inhibition of PRKG2 (unknown origin) by discoverX kinome scan assay
50022560	327	ChEMBL_2538167	Inhibition of PRKR (unknown origin) by discoverX kinome scan assay
50022560	328	ChEMBL_2538168	Inhibition of PRKX (unknown origin) by discoverX kinome scan assay
50022560	329	ChEMBL_2538169	Inhibition of human PRP4 by discoverX kinome scan assay
50022560	330	ChEMBL_2538170	Inhibition of human PYK2 by discoverX kinome scan assay
50022560	331	ChEMBL_2538171	Inhibition of human QSK by discoverX kinome scan assay
50022560	332	ChEMBL_2538172	Inhibition of human RAF1 by discoverX kinome scan assay
50022560	333	ChEMBL_2538173	Inhibition of human RET by discoverX kinome scan assay
50022560	334	ChEMBL_2538174	Inhibition of human RET M918T mutant by discoverX kinome scan assay
50022560	335	ChEMBL_2538175	Inhibition of human RET V804L mutant by discoverX kinome scan assay
50022560	336	ChEMBL_2538176	Inhibition of human RET V804M mutant by discoverX kinome scan assay
50022560	337	ChEMBL_2538177	Inhibition of human RIOK1 by discoverX kinome scan assay
50022560	338	ChEMBL_2538178	Inhibition of human RIOK2 by discoverX kinome scan assay
50022560	339	ChEMBL_2538179	Inhibition of human RIOK3 by discoverX kinome scan assay
50022560	340	ChEMBL_2538180	Inhibition of human RIPK1 by discoverX kinome scan assay
50022560	341	ChEMBL_2538181	Inhibition of human RIPK2 by discoverX kinome scan assay
50022560	342	ChEMBL_2538182	Inhibition of human RIPK4 by discoverX kinome scan assay
50022560	343	ChEMBL_2538183	Inhibition of human RIPK5 by discoverX kinome scan assay
50022560	344	ChEMBL_2538184	Inhibition of human ROCK1 by discoverX kinome scan assay
50022560	345	ChEMBL_2538185	Inhibition of human ROCK2 by discoverX kinome scan assay
50022560	346	ChEMBL_2538186	Inhibition of human ROS1 by discoverX kinome scan assay
50022560	347	ChEMBL_2538187	Inhibition of human RPS6KA4 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	348	ChEMBL_2538188	Inhibition of human RPS6KA4 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	349	ChEMBL_2538189	Inhibition of human RPS6KA5 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	350	ChEMBL_2538190	Inhibition of human RPS6KA5 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	351	ChEMBL_2538191	Inhibition of human RSK1 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	352	ChEMBL_2538192	Inhibition of human RSK1 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	353	ChEMBL_2538193	Inhibition of human RSK2 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	354	ChEMBL_2538194	Inhibition of human RSK2 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	355	ChEMBL_2538195	Inhibition of human RSK3 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	356	ChEMBL_2538196	Inhibition of human RSK3 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	357	ChEMBL_2538197	Inhibition of human RSK4 (Kin.Dom.1-N-term) by discoverX kinome scan assay
50022560	358	ChEMBL_2538198	Inhibition of human RSK4 (Kin.Dom.2-C-term) by discoverX kinome scan assay
50022560	359	ChEMBL_2538199	Inhibition of human S6K1 by discoverX kinome scan assay
50022560	360	ChEMBL_2538200	Inhibition of human SBK1 by discoverX kinome scan assay
50022560	361	ChEMBL_2538201	Inhibition of human SGK by discoverX kinome scan assay
50022560	362	ChEMBL_2538202	Inhibition of human SgK110 by discoverX kinome scan assay
50022560	363	ChEMBL_2538203	Inhibition of human SGK2 by discoverX kinome scan assay
50022560	364	ChEMBL_2538204	Inhibition of human SGK3 by discoverX kinome scan assay
50022560	365	ChEMBL_2538205	Inhibition of human SIK by discoverX kinome scan assay
50022560	366	ChEMBL_2538206	Inhibition of human SIK2 by discoverX kinome scan assay
50022560	367	ChEMBL_2538207	Inhibition of human SLK by discoverX kinome scan assay
50022560	368	ChEMBL_2538208	Inhibition of human SNARK by discoverX kinome scan assay
50022560	369	ChEMBL_2538209	Inhibition of human SNRK by discoverX kinome scan assay
50022560	370	ChEMBL_2538210	Inhibition of human SRC by discoverX kinome scan assay
50022560	371	ChEMBL_2538211	Inhibition of human SRMS by discoverX kinome scan assay
50022560	372	ChEMBL_2538212	Inhibition of human SRPK1 by discoverX kinome scan assay
50022560	373	ChEMBL_2538213	Inhibition of human SRPK2 by discoverX kinome scan assay
50022560	374	ChEMBL_2538214	Inhibition of human SRPK3 by discoverX kinome scan assay
50022560	375	ChEMBL_2538215	Inhibition of human STK16 by discoverX kinome scan assay
50022560	376	ChEMBL_2538216	Inhibition of human STK33 by discoverX kinome scan assay
50022560	377	ChEMBL_2538217	Inhibition of human STK35 by discoverX kinome scan assay
50022560	378	ChEMBL_2538218	Inhibition of human STK36 by discoverX kinome scan assay
50022560	379	ChEMBL_2538219	Inhibition of human STK39 by discoverX kinome scan assay
50022560	380	ChEMBL_2538220	Inhibition of human SYK by discoverX kinome scan assay
50022560	381	ChEMBL_2538221	Inhibition of human TAK1 by discoverX kinome scan assay
50022560	382	ChEMBL_2538222	Inhibition of human TAOK1 by discoverX kinome scan assay
50022560	383	ChEMBL_2538223	Inhibition of human TAOK2 by discoverX kinome scan assay
50022560	384	ChEMBL_2538224	Inhibition of human TAOK3 by discoverX kinome scan assay
50022560	385	ChEMBL_2538225	Inhibition of human TBK1 by discoverX kinome scan assay
50022560	386	ChEMBL_2538226	Inhibition of human TEC by discoverX kinome scan assay
50022560	387	ChEMBL_2538227	Inhibition of human TESK1 by discoverX kinome scan assay
50022560	388	ChEMBL_2538228	Inhibition of human TGFBR1 by discoverX kinome scan assay
50022560	389	ChEMBL_2538229	Inhibition of human TGFBR2 by discoverX kinome scan assay
50022560	390	ChEMBL_2538230	Inhibition of human TIE1 by discoverX kinome scan assay
50022560	391	ChEMBL_2538231	Inhibition of human TIE2 by discoverX kinome scan assay
50022560	392	ChEMBL_2538232	Inhibition of human TLK1 by discoverX kinome scan assay
50022560	393	ChEMBL_2538233	Inhibition of human TLK2 by discoverX kinome scan assay
50022560	394	ChEMBL_2538234	Inhibition of human TNIK by discoverX kinome scan assay
50022560	395	ChEMBL_2538235	Inhibition of human TNK1 by discoverX kinome scan assay
50022560	396	ChEMBL_2538236	Inhibition of human TNK2 by discoverX kinome scan assay
50022560	397	ChEMBL_2538237	Inhibition of human TNNI3K by discoverX kinome scan assay
50022560	398	ChEMBL_2538238	Inhibition of human TRKA by discoverX kinome scan assay
50022560	399	ChEMBL_2538239	Inhibition of human TRKB by discoverX kinome scan assay
50022560	400	ChEMBL_2538240	Inhibition of human TRKC by discoverX kinome scan assay
50022560	401	ChEMBL_2538241	Inhibition of human TRPM6 by discoverX kinome scan assay
50022560	402	ChEMBL_2538242	Inhibition of human TSSK1B by discoverX kinome scan assay
50022560	403	ChEMBL_2538243	Inhibition of human TTK by discoverX kinome scan assay
50022560	404	ChEMBL_2538244	Inhibition of human TXK by discoverX kinome scan assay
50022560	405	ChEMBL_2538245	Inhibition of human TYK2 (JH1Dom.-catalytic) by discoverX kinome scan assay
50022560	406	ChEMBL_2538246	Inhibition of human TYK2 (JH2Dom.-pseudokinase) by discoverX kinome scan assay
50022560	407	ChEMBL_2538247	Inhibition of human TYRO3 by discoverX kinome scan assay
50022560	408	ChEMBL_2538248	Inhibition of human ULK1 by discoverX kinome scan assay
50022560	409	ChEMBL_2538249	Inhibition of human ULK2 by discoverX kinome scan assay
50022560	410	ChEMBL_2538250	Inhibition of human ULK3 by discoverX kinome scan assay
50022560	411	ChEMBL_2538251	Inhibition of human VEGFR2 by discoverX kinome scan assay
50022560	412	ChEMBL_2538252	Inhibition of human VRK2 by discoverX kinome scan assay
50022560	413	ChEMBL_2538253	Inhibition of human WEE1 by discoverX kinome scan assay
50022560	414	ChEMBL_2538254	Inhibition of human WEE2 by discoverX kinome scan assay
50022560	415	ChEMBL_2538255	Inhibition of human WNK1 by discoverX kinome scan assay
50022560	416	ChEMBL_2538256	Inhibition of human WNK3 by discoverX kinome scan assay
50022560	417	ChEMBL_2538257	Inhibition of human YANK1 by discoverX kinome scan assay
50022560	418	ChEMBL_2538258	Inhibition of human YANK2 by discoverX kinome scan assay
50022560	419	ChEMBL_2538259	Inhibition of human YANK3 by discoverX kinome scan assay
50022560	420	ChEMBL_2538260	Inhibition of human YES by discoverX kinome scan assay
50022560	421	ChEMBL_2538261	Inhibition of human YSK1 by discoverX kinome scan assay
50022560	422	ChEMBL_2538262	Inhibition of human YSK4 by discoverX kinome scan assay
50022560	423	ChEMBL_2538263	Inhibition of human ZAK by discoverX kinome scan assay
50022560	424	ChEMBL_2538300	Inhibition of human ER-alpha by Eurofins-CEREP pharmacology platform analysis
50022560	425	ChEMBL_2538301	Inhibition of human ER-beta by Eurofins-CEREP pharmacology platform analysis
50022560	426	ChEMBL_2538303	Inhibition of human LXR-alpha by Eurofins-CEREP pharmacology platform analysis
50022560	427	ChEMBL_2538304	Inhibition of human LXR-beta by Eurofins-CEREP pharmacology platform analysis
50022560	428	ChEMBL_2538305	Inhibition of human PPAR-alpha by Eurofins-CEREP pharmacology platform analysis
50022560	429	ChEMBL_2538306	Inhibition of human PPAR-delta by Eurofins-CEREP pharmacology platform analysis
50022560	430	ChEMBL_2538307	Inhibition of human PPAR-gamma by Eurofins-CEREP pharmacology platform analysis
50022560	431	ChEMBL_2538308	Inhibition of human RAR-alpha by Eurofins-CEREP pharmacology platform analysis
50022560	432	ChEMBL_2538309	Inhibition of human RAR-beta by Eurofins-CEREP pharmacology platform analysis
50022560	433	ChEMBL_2538310	Inhibition of human RAR-gamma by Eurofins-CEREP pharmacology platform analysis
50022560	434	ChEMBL_2538311	Inhibition of human RXR-alpha by Eurofins-CEREP pharmacology platform analysis
50022560	435	ChEMBL_2538312	Inhibition of human TR-alpha-1 by Eurofins-CEREP pharmacology platform analysis
50022560	436	ChEMBL_2538313	Inhibition of human TR-beta-1 by Eurofins-CEREP pharmacology platform analysis
50022560	437	ChEMBL_2538314	Inhibition of human VDR by Eurofins-CEREP pharmacology platform analysis
50022561	1	ChEMBL_2538527	Inhibition of G9a in human PC-3 cells assessed as decrease in H3k2me2 levels after 72 hrs by Western blot analysis
50022562	1	ChEMBL_2538631	Inhibition of BRD4 in human SNF96.2 cells assessed as reduction in cell viability at 4.9 to 2500 nM incubated for 72 hrs by SRB assay
50022562	2	ChEMBL_2538633	Inhibition of BRD4 in human T265 cells assessed as reduction in cell viability at 4.9 to 2500 nM incubated for 72 hrs by SRB assay
50022562	3	ChEMBL_2538634	Inhibition of BRD4 in human 90-8TL cells assessed as reduction in cell viability at 4.9 to 2500 nM incubated for 72 hrs by SRB assay
50022562	4	ChEMBL_2538637	Inhibition of TOP2A in human SNF96.2 cells assessed as reduction in cell viability at 1 to 500 ng/ml incubated for 72 hrs by SRB assay
50022562	5	ChEMBL_2538638	Inhibition of TOP2A in human ST88-14 cells assessed as reduction in cell viability at 1 to 500 ng/ml incubated for 72 hrs by SRB assay
50022562	6	ChEMBL_2538639	Inhibition of TOP2A in human T265 cells assessed as reduction in cell viability at 1 to 500 ng/ml incubated for 72 hrs by SRB assay
50022562	7	ChEMBL_2538640	Inhibition of TOP2A in human 90-8TL cells assessed as reduction in cell viability at 1 to 500 ng/ml incubated for 72 hrs by SRB assay
50022562	8	ChEMBL_2538641	Inhibition of TOP2A in human STS26T cells assessed as reduction in cell viability at 1 to 500 ng/ml incubated for 72 hrs by SRB assay
50022562	9	ChEMBL_2538642	Inhibition of BRD4 in mouse primary skin-derived precursors (Nf1-/-, P53-/-) assessed as reduction in cell viability incubated for 72 hrs by SRB assay
50022562	10	ChEMBL_2538643	Inhibition of BRD4 in mouse MPNST cells assessed as reduction in cell viability incubated for 72 hrs by SRB assay
50022563	1	ChEMBL_2538780	Inhibition of PRMT5 (unknown origin) assessed as inhibition of PRMT5/MEP50 complex from methylating histone 4 (H4)
50022563	2	ChEMBL_2538781	Inhibition of PRMT5 (unknown origin) assessed as inhibition of PRMT5/MEP50 complex from methylating SmD3
50022564	1	ChEMBL_2538806	Inhibition of SMYD2 (unknown origin) using N-terminal GST-tagged MAP3K2 and 3H-SAM as substrate for 2 hrs by TopCount NXT plate reader
50022564	2	ChEMBL_2538807	Inhibition of SMYD3 (unknown origin) N-terminal GST-tagged MAP3K2 and 3H-SAM as substrate for 2 hrs by TopCount NXT plate reader
50022564	3	ChEMBL_2538808	Inhibition of EHMT1 (unknown origin) methyltransferase activity measured
50022564	4	ChEMBL_2538809	Inhibition of EHMT2 (unknown origin) methyltransferase activity measured
50022564	5	ChEMBL_2538810	Inhibition of EZH1 (unknown origin) methyltransferase activity measured
50022564	6	ChEMBL_2538811	Inhibition of EZH2 (unknown origin) methyltransferase activity measured
50022564	7	ChEMBL_2538812	Inhibition of NSD1 (unknown origin) methyltransferase activity measured
50022564	8	ChEMBL_2538813	Inhibition of PRDM9 (unknown origin) methyltransferase activity measured
50022564	9	ChEMBL_2538814	Inhibition of PRMT3 (unknown origin) methyltransferase activity measured
50022564	10	ChEMBL_2538815	Inhibition of PRMT6 (unknown origin) methyltransferase activity measured
50022564	11	ChEMBL_2538816	Inhibition of PRMT7 (unknown origin) methyltransferase activity measured
50022564	12	ChEMBL_2538817	Inhibition of PRMT8 (unknown origin) methyltransferase activity measured
50022564	13	ChEMBL_2538818	Inhibition of SETD2 (unknown origin) methyltransferase activity measured
50022564	14	ChEMBL_2538819	Inhibition of SETD7 (unknown origin) methyltransferase activity measured
50022564	15	ChEMBL_2538820	Inhibition of SUV39H1 (unknown origin) methyltransferase activity measured
50022564	16	ChEMBL_2538821	Inhibition of WHSC1 (unknown origin) methyltransferase activity measured
50022564	17	ChEMBL_2538822	Inhibition of SMYD2 in human HEK293T cells assessed as BTF3me1 levels by Western blot analysis
50022564	18	ChEMBL_2539060	Inhibition of SMYD3 in human HEK293T cells co-transfected with MAP3K assessed as inhibition of Lys260 methylation of MAP3K2 by Western blot analysis
50022564	19	ChEMBL_2539062	Binding affinity to SMYD3 in human A549 cells for 60 mins by cellular thermal shift assay
50022564	20	ChEMBL_2539459	Inhibition of SMYD2 (unknown origin) assessed as methylation of Btn-Ahx-GSRAHS-SHLKSKKGQSTSRH-amide peptide in presence of 3H-SAM by scintillation proximity assay
50022564	21	ChEMBL_2539460	Inhibition of N-terminal 2xc-myc-tagged SMYD2 (unknown origin) transfected in KYSE-150 cells assessed as methylation activity by Western blot analysis
50022564	22	ChEMBL_2539461	Inhibition of SMYD3 (unknown origin)
50022565	1	ChEMBL_2539527	Activation of PKC in human J-Lat 10.6 cells infected with latent HIV-1 assessed as reversal of HIV-1 latency by measuring increase of GFP-positive cells at 1 to 10000 nM incubated for 24 hrs by flow cytometry
50022565	2	ChEMBL_2539528	Activation of PKC in human J-Lat 6.3 cells infected with latent HIV-1 assessed as reversal of HIV-1 latency by measuring increase of GFP-positive cells at 1 to 10000 nM incubated for 24 hrs by flow cytometry
50022565	3	ChEMBL_2539529	Activation of PKC in human ACH-2 cells infected with latent HIV-1 assessed as reversal of HIV-1 latency by measuring increase in p24 antigen level incubated for 48 hrs by chemiluminescent enzyme immunoassay
50022565	4	ChEMBL_2539530	Activation of PKC in human U1 cells infected with latent HIV-1 assessed as reversal of HIV-1 latency by measuring increase in p24 antigen level incubated for 48 hrs by chemiluminescent enzyme immunoassay
50022566	1	ChEMBL_2541361	Inhibition of human GLUT1 expressed in CHO-K1 cells constitutively expressing luciferase using luciferin substrate measured after 10 mins by luciferase reporter gene assay
50022566	2	ChEMBL_2541362	Inhibition of human GLUT4 expressed in CHO cells measured after 15 mins by cell-titer-Glo luminescent cell viability assay
50022567	1	ChEMBL_2541366	Binding affinity to WDR5 (unknown origin) by ITC method
50022568	1	ChEMBL_2541643	Displacement of [125I]endhothelin-1 from ETA receptor in rat MMQ cells Membrane at 25 degC incubated for 3 hrs by radioligand competition binding assay
50022568	2	ChEMBL_2541644	Displacement of [125I]endhothelin-3 from ETB receptor in porcine Cerebellum Membrane at 25 degC incubated for 3 hrs by radioligand competition binding assay
50022568	3	ChEMBL_2541645	Displacement of [125I]endhothelin-1 from human ETA receptor stably expressed in CHO cells Membrane at 25 degC incubated for 3 hrs by radioligand competition binding assay
50022568	4	ChEMBL_2541646	Displacement of [125I]endhothelin-3 from human ETB receptor stably expressed in CHO cells Membrane at 25 degC incubated for 3 hrs by radioligand competition binding assay
50022568	5	ChEMBL_2541648	Displacement of [125I]endhothelin-1 from human ETA receptor stably expressed in CHO cells Membrane assessed as inhibition constant at 25 degC incubated for 4 hrs by saturation binding assay
50022568	6	ChEMBL_2541649	Displacement of [125I]endhothelin-3 from human ETB receptor stably expressed in CHO cells Membrane assessed as inhibition constant at 25 degC incubated for 4 hrs by saturation binding assay
50022568	7	ChEMBL_2541651	Binding affinity to ETA receptor (unknown origin) assessed as inhibition constant
50022568	8	ChEMBL_2541652	Binding affinity to ETB receptor (unknown origin) assessed as inhibition constant
50022568	9	ChEMBL_2541653	Displacement of [125I]ET-1 from ETA receptor in human TE-671 cells Membrane assessed as inhibition constant incubated for 16 to 18 hrs by gamma counter analysis
50022568	10	ChEMBL_2541655	Displacement of [125I]endhothelin-1 from human ETA receptor stably expressed in CHO cells Membrane at 30 degC incubated for 60 mins by radioligand competition binding assay
50022568	11	ChEMBL_2541656	Displacement of [125I]endhothelin-1 from human ETB receptor stably expressed in CHO cells Membrane at 30 degC incubated for 60 mins by radioligand competition binding assay
50022569	1	ChEMBL_2541980	Inhibition of recombinant human GST tagged Ckh1 phosphorylation expressed in baculovirus Insect cell using N-biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as peptide substrate incubated for 2 hrs in presence of ATP by TopCount scintillation proximity assay
50022569	2	ChEMBL_2541982	Binding affinity to recombinant human GST tagged Ckh1 phosphorylation expressed in baculovirus Insect cell assessed as inhibition constant incubated for 20 mins in presence of ATP by topcount reader based analysis
50022570	1	ChEMBL_2542043	Inhibition of intracellular domain of GST-tagged IGF1R (957 to 1367 residues) (unknown origin) expressed in baculovirus expression system using biotin-aminohexyl-AEEEEYMMMMAKKKK-NH2 as substrate incubated for 1 hr by TR-FRET assay
50022570	2	ChEMBL_2542044	Inhibition of intracellular domain of GST-tagged IR (979 to 1382 residues) (unknown origin) expressed in baculovirus expression system using biotin-aminohexyl-AEEEEYMMMMAKKKK-NH2 as substrate incubated for 1 hr by TR-FRET assay
50022570	3	ChEMBL_2542045	Inhibition of intracellular domain of GST-tagged IGF1R (957 to 1367 residues) (unknown origin) expressed in baculovirus expression system using biotin-aminohexyl-AEEEEYMMMMAKKKK-NH2 as substrate pre incubated for 6 hrs followed by substrate addition and measured after 2 hrs in presence of [gamma-33P]-ATP by liquid scintillation counting method
50022570	4	ChEMBL_2542046	Inhibition of intracellular domain of GST-tagged IR (979 to 1382 residues) (unknown origin) expressed in baculovirus expression system using biotin-aminohexyl-AEEEEYMMMMAKKKK-NH2 as substrate pre incubated for 6 hrs followed by substrate addition and measured after 2 hrs in presence of [gamma-33P]-ATP by liquid scintillation counting method
50022570	5	ChEMBL_2542047	Inhibition of human IGF1R autophosphorylation in IGF1- stimulated mouse NIH-3T3/LISN cells pre incubated for 6 hr followed by IGF stimulation and measured after 15 mins by Western blot analysis
50022570	6	ChEMBL_2542048	Inhibition of human IR autophosphorylation in insulin- stimulated mouse NIH-3T3-hIR cells pre incubated for 6 hr followed by insulin stimulation and measured after 15 mins by Western blot analysis
50022570	7	ChEMBL_2542151	Inhibition of ActRIIB (unknown origin)
50022570	8	ChEMBL_2542152	Inhibition of AKT1 (unknown origin)
50022570	9	ChEMBL_2542153	Inhibition of AKT2 (unknown origin)
50022570	10	ChEMBL_2542154	Inhibition of ALK5 (unknown origin)
50022570	11	ChEMBL_2542155	Inhibition of ASK1 (unknown origin)
50022570	12	ChEMBL_2542156	Inhibition of Aurora A (unknown origin)
50022570	13	ChEMBL_2542157	Inhibition of Aurora B (unknown origin)
50022570	14	ChEMBL_2542158	Inhibition of B-Raf V600E mutant (unknown origin)
50022570	15	ChEMBL_2542159	Inhibition of CAMKK2 (unknown origin)
50022570	16	ChEMBL_2542161	Inhibition of EGFR (unknown origin)
50022570	17	ChEMBL_2542162	Inhibition of ErbB2 (unknown origin)
50022570	18	ChEMBL_2542163	Inhibition of ErbB4 (unknown origin)
50022570	19	ChEMBL_2542164	Inhibition of FYN (unknown origin)
50022570	20	ChEMBL_2542165	Inhibition of GSK3beta (unknown origin)
50022570	21	ChEMBL_2542166	Inhibition of IKK1 (unknown origin)
50022570	22	ChEMBL_2542167	Inhibition of IKK2 (unknown origin)
50022570	23	ChEMBL_2542169	Inhibition of ITK (unknown origin)
50022570	24	ChEMBL_2542170	Inhibition of JAK2 (unknown origin)
50022570	25	ChEMBL_2542171	Inhibition of JAK3 (unknown origin)
50022570	26	ChEMBL_2542172	Inhibition of JNK1 (unknown origin)
50022570	27	ChEMBL_2542173	Inhibition of JNK2 (unknown origin)
50022570	28	ChEMBL_2542174	Inhibition of JNK3 (unknown origin)
50022570	29	ChEMBL_2542175	Inhibition of LCK (unknown origin)
50022570	30	ChEMBL_2542176	Inhibition of MAPKAPK2 (unknown origin)
50022570	31	ChEMBL_2542177	Inhibition of P38alpha (unknown origin)
50022570	32	ChEMBL_2542179	Inhibition of PAK1 (unknown origin)
50022570	33	ChEMBL_2542180	Inhibition of PCTAIRE1 (unknown origin)
50022570	34	ChEMBL_2542181	Inhibition of PDK1 (unknown origin)
50022570	35	ChEMBL_2542182	Inhibition of PI3Kalpha (unknown origin)
50022570	36	ChEMBL_2542183	Inhibition of PI3Kbeta (unknown origin)
50022570	37	ChEMBL_2542184	Inhibition of PI3Kdelta (unknown origin)
50022570	38	ChEMBL_2542185	Inhibition of PI3Kgamma (unknown origin)
50022570	39	ChEMBL_2542186	Inhibition of PKCepsilon (unknown origin)
50022570	40	ChEMBL_2542187	Inhibition of PKCtheta (unknown origin)
50022570	41	ChEMBL_2542188	Inhibition of ROCK1 (unknown origin)
50022570	42	ChEMBL_2542189	Inhibition of RSK1 (unknown origin)
50022570	43	ChEMBL_2542190	Inhibition of SIK2 (unknown origin)
50022570	44	ChEMBL_2542191	Inhibition of SRC1 (unknown origin)
50022570	45	ChEMBL_2542192	Inhibition of SYK (unknown origin)
50022570	46	ChEMBL_2542193	Inhibition of VEGFR2 (unknown origin)
50022570	47	ChEMBL_2542195	Inhibition of ZAP70 (unknown origin)
50022570	48	ChEMBL_2542662	Inhibition of N-terminal His6-tagged recombinant human Abl (27 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	49	ChEMBL_2542663	Inhibition of N-terminal 6His-tagged recombinant full-length human Aurora-A expressed in Sf21 cells by filter binding assay
50022570	50	ChEMBL_2542664	Inhibition of N-terminal His6-tagged recombinant full-length human BMX expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	51	ChEMBL_2542665	Inhibition of N-terminal His6-tagged recombinant full-length human BTK expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	52	ChEMBL_2542666	Inhibition of N-terminal 6His-tagged recombinant human CK1gamma3 (1 to 330 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	53	ChEMBL_2542667	Inhibition of N-terminal 6His-tagged recombinant human FAK (411 to 686 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	54	ChEMBL_2542668	Inhibition of N-terminal His6 tagged recombinant human Fer (541 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	55	ChEMBL_2542669	Inhibition of N-terminal His6-tagged recombinant full length human Fes expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	56	ChEMBL_2542670	Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	57	ChEMBL_2542671	Inhibition of N-terminal GST tagged recombinant human Flt3 (564 to end residues) expressed in Sf21 cells by filter binding assay
50022570	58	ChEMBL_2542672	Inhibition of N-terminal GST-tagged recombinant human Flt4 (800 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	59	ChEMBL_2542673	Inhibition of N-terminal 6His-tagged recombinant human Hck (230 to 497 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	60	ChEMBL_2542674	Inhibition of N-terminal 6His-tagged recombinant human IGF-1R (959 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	61	ChEMBL_2542675	Inhibition of N-terminal His6-tagged recombinant human IR (1005 to 1310 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	62	ChEMBL_2542676	Inhibition of N-terminal 6His-tagged recombinant human IRR (944 to 1266 residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	63	ChEMBL_2542677	Inhibition of N-terminal His6-tagged recombinant human MSK2 (2 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	64	ChEMBL_2542678	Inhibition of C-terminal His6-tagged recombinant human full-length PAK3 expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	65	ChEMBL_2542679	Inhibition of human PASK by filter binding assay
50022570	66	ChEMBL_2542680	Inhibition of N-terminal 6His-tagged recombinant human PTK5 (218 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022570	67	ChEMBL_2542681	Inhibition of N-terminal His6-tagged recombinant human TrkA (440 to end residues) expressed in baculovirus infected Sf21 cells by filter binding assay
50022571	1	ChEMBL_2542956	Inhibition of recombinant human IGF-1R using KKSRGDYMTMQIG as substrate incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	2	ChEMBL_2542957	Binding affinity to FAK (unknown origin) by phage based competition assay
50022571	3	ChEMBL_2542958	Inhibition of recombinant IR (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	4	ChEMBL_2542959	Inhibition of recombinant Flt-3 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	5	ChEMBL_2542960	Inhibition of recombinant Lck (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	6	ChEMBL_2542961	Inhibition of recombinant Met (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	7	ChEMBL_2542962	Inhibition of recombinant AurA (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	8	ChEMBL_2542963	Inhibition of recombinant AurB (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	9	ChEMBL_2542964	Inhibition of recombinant MK2 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	10	ChEMBL_2542965	Inhibition of recombinant P38alpha (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	11	ChEMBL_2542966	Inhibition of recombinant P38beta (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	12	ChEMBL_2542967	Inhibition of recombinant PKA (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	13	ChEMBL_2542968	Inhibition of recombinant PKCalpha (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	14	ChEMBL_2542969	Inhibition of recombinant PKCdelta (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	15	ChEMBL_2542970	Inhibition of recombinant PKCzeta (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	16	ChEMBL_2542971	Inhibition of recombinant PKCiota (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	17	ChEMBL_2542972	Inhibition of recombinant CDK2/Cyclin E (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	18	ChEMBL_2542973	Inhibition of recombinant TrkA (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	19	ChEMBL_2542974	Inhibition of recombinant TrkB (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	20	ChEMBL_2542975	Inhibition of recombinant BTK (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	21	ChEMBL_2542976	Inhibition of recombinant Her1 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	22	ChEMBL_2542977	Inhibition of recombinant IKK-1 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	23	ChEMBL_2542978	Inhibition of recombinant IKK-2 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	24	ChEMBL_2542979	Inhibition of recombinant CSK (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	25	ChEMBL_2542980	Inhibition of recombinant Jak2 (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	26	ChEMBL_2542981	Inhibition of recombinant GSK-3b (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	27	ChEMBL_2542982	Inhibition of recombinant RON (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	28	ChEMBL_2542983	Inhibition of recombinant SRC (unknown origin) incubated for 60 mins in presence of ATP by electrophoretic caliper fluorescence analysis
50022571	29	ChEMBL_2542987	Inhibition of TrkA autophosphorylation in rat CD8-TrkA cells by Western blotting analysis
50022571	30	ChEMBL_2542988	Inhibition of Met autophosphorylation in human GTL 16 cell line by Western blotting analysis
50022571	31	ChEMBL_2542993	Binding affinity to INSR (unknown origin) by phage based competition assay
50022571	32	ChEMBL_2542994	Binding affinity to TRKB (unknown origin) by phage based competition assay
50022571	33	ChEMBL_2542995	Binding affinity to IRR (unknown origin) by phage based competition assay
50022571	34	ChEMBL_2542996	Binding affinity to NEK6 (unknown origin) by phage based competition assay
50022571	35	ChEMBL_2542997	Binding affinity to TRKC (unknown origin) by phage based competition assay
50022571	36	ChEMBL_2542998	Binding affinity to PYK2 (unknown origin) by phage based competition assay
50022571	37	ChEMBL_2542999	Binding affinity to TIE2 (unknown origin) by phage based competition assay
50022571	38	ChEMBL_2543000	Binding affinity to TRKA (unknown origin) by phage based competition assay
50022571	39	ChEMBL_2543001	Binding affinity to TIE1 (unknown origin) by phage based competition assay
50022571	40	ChEMBL_2543002	Binding affinity to NEK7 (unknown origin) by phage based competition assay
50022571	41	ChEMBL_2543003	Binding affinity to PLK4 (unknown origin) by phage based competition assay
50022571	42	ChEMBL_2543004	Binding affinity to IGF1R (unknown origin) by phage based competition assay
50022571	43	ChEMBL_2543005	Binding affinity to DDR1 (unknown origin) by phage based competition assay
50022571	44	ChEMBL_2543006	Binding affinity to DCAMKL1 (unknown origin) by phage based competition assay
50022571	45	ChEMBL_2543007	Binding affinity to NUAK2 (unknown origin) by phage based competition assay
50022571	46	ChEMBL_2543008	Binding affinity to MET (unknown origin) by phage based competition assay
50022571	47	ChEMBL_2543009	Binding affinity to AXL (unknown origin) by phage based competition assay
50022571	48	ChEMBL_2543010	Binding affinity to DCAMKL2 (unknown origin) by phage based competition assay
50022571	49	ChEMBL_2543011	Binding affinity to MER (unknown origin) by phage based competition assay
50022571	50	ChEMBL_2543012	Binding affinity to ROS (unknown origin) by phage based competition assay
50022571	51	ChEMBL_2543013	Binding affinity to AURC (unknown origin) by phage based competition assay
50022571	52	ChEMBL_2543014	Binding affinity to EPHA7 (unknown origin) by phage based competition assay
50022571	53	ChEMBL_2543015	Binding affinity to ALK (unknown origin) by phage based competition assay
50022571	54	ChEMBL_2543016	Binding affinity to LTK (unknown origin) by phage based competition assay
50022571	55	ChEMBL_2543017	Binding affinity to FLT3 N841I mutant (unknown origin) by phage based competition assay
50022571	56	ChEMBL_2543018	Binding affinity to MUSK (unknown origin) by phage based competition assay
50022571	57	ChEMBL_2543019	Binding affinity to EPHA1 (unknown origin) by phage based competition assay
50022571	58	ChEMBL_2543020	Binding affinity to AURB (unknown origin) by phage based competition assay
50022571	59	ChEMBL_2543021	Binding affinity to NEK9 (unknown origin) by phage based competition assay
50022571	60	ChEMBL_2543022	Binding affinity to ABL1 T315I mutant (unknown origin) by phage based competition assay
50022571	61	ChEMBL_2543023	Binding affinity to AURA (unknown origin) by phage based competition assay
50022571	62	ChEMBL_2543024	Binding affinity to FGFR1 (unknown origin) by phage based competition assay
50022571	63	ChEMBL_2543025	Binding affinity to AMPKA1 (unknown origin) by phage based competition assay
50022571	64	ChEMBL_2543026	Binding affinity to AMPKA2 (unknown origin) by phage based competition assay
50022571	65	ChEMBL_2543027	Binding affinity to FER (unknown origin) by phage based competition assay
50022571	66	ChEMBL_2543028	Binding affinity to FLT3 D835H mutant (unknown origin) by phage based competition assay
50022571	67	ChEMBL_2543029	Binding affinity to MARK3 (unknown origin) by phage based competition assay
50022571	68	ChEMBL_2543030	Binding affinity to EPHA6 (unknown origin) by phage based competition assay
50022571	69	ChEMBL_2543031	Binding affinity to FGFR2 (unknown origin) by phage based competition assay
50022571	70	ChEMBL_2543032	Binding affinity to FLT3 (unknown origin) by phage based competition assay
50022571	71	ChEMBL_2543033	Binding affinity to FLT3 D835Y mutant (unknown origin) by phage based competition assay
50022571	72	ChEMBL_2543034	Binding affinity to MST2 (unknown origin) by phage based competition assay
50022571	73	ChEMBL_2543035	Binding affinity to TNK1 (unknown origin) by phage based competition assay
50022571	74	ChEMBL_2543036	Binding affinity to FMS (unknown origin) by phage based competition assay
50022571	75	ChEMBL_2543037	Binding affinity to EPHA2 (unknown origin) by phage based competition assay
50022571	76	ChEMBL_2543038	Binding affinity to MARK2 (unknown origin) by phage based competition assay
50022571	77	ChEMBL_2543039	Binding affinity to FGFR3 (unknown origin) by phage based competition assay
50022571	78	ChEMBL_2543040	Binding affinity to FGFR3 G697C mutant (unknown origin) by phage based competition assay
50022571	79	ChEMBL_2543041	Binding affinity to PAK6 (unknown origin) by phage based competition assay
50022571	80	ChEMBL_2543042	Binding affinity to NUAK1 (unknown origin) by phage based competition assay
50022571	81	ChEMBL_2543213	Inhibition of IGF-1R in mouse IGF-1R-Sal cells assessed as inhibition of Akt phosphorylation at Ser473 at 0.1 to 1000 nmol/L incubated for 1 hr by Western blotting analysis
50022571	82	ChEMBL_2543214	Inhibition of IGF-1R in mouse IGF-1R-Sal cells assessed as inhibition of p44 MAPK phosphorylation at 0.1 to 1000 nmol/L incubated for 1 hr by Western blotting analysis
50022571	83	ChEMBL_2543215	Inhibition of IGF-1R phosphorylation in human Rh41 cells at 0.1 to 1000 nmol/L incubated for 1 hr by Western blotting analysis
50022571	84	ChEMBL_2543218	Inhibition of IGF-1R phosphorylation in human GEO cells at 0.1 to 1000 nmol/L incubated for 1 hr by Western blotting analysis
50022572	1	ChEMBL_2543308	Inhibition of recombinant N-terminal truncated MK2 (45 to 371 residues) (unknown origin) expressed in Escherichia coli using KKKALSRQLSVAA as substrate incubated for 1 hr followed by substrate addition in presence of ATP
50022572	2	ChEMBL_2543309	Binding affinity to recombinant N-terminal truncated MK2 (45 to 371 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition constant measured after 15 mins by surface plasmon resonance spectroscopy analysis
50022572	3	ChEMBL_2543310	Binding affinity to recombinant N-terminal truncated MK2 (45 to 371 residues) (unknown origin) expressed in Escherichia coli assessed as dissociation constant measured after 15 mins by surface plasmon resonance spectroscopy analysis
50022572	4	ChEMBL_2543314	Inhibition of recombinant MK3 (unknown origin) expressed in Escherichia coli using KKKALSRQLSVAA as substrate incubated for 1 hr followed by substrate addition in presence of ATP
50022572	5	ChEMBL_2543315	Inhibition of recombinant PRAK (unknown origin) expressed in Escherichia coli using KKKALSRQLSVAA as substrate incubated for 1 hr followed by substrate addition in presence of ATP
50022572	6	ChEMBL_2543316	Inhibition of recombinant MNK1 (unknown origin) expressed in Escherichia coli using KKKALSRQLSVAA as substrate incubated for 1 hr followed by substrate addition in presence of ATP
50022572	7	ChEMBL_2543317	Inhibition of recombinant MNK2 (unknown origin) using KKKALSRQLSVAA as substrate incubated for 1 hr followed by substrate addition in presence of ATP
50022572	8	ChEMBL_2543321	Inhibition of BrSK1 (unknown origin)
50022572	9	ChEMBL_2543322	Inhibition of BrSK2 (unknown origin)
50022572	10	ChEMBL_2543324	Inhibition of DRAK1 (unknown origin)
50022572	11	ChEMBL_2543325	Inhibition of PhKgamma2 (unknown origin)
50022572	12	ChEMBL_2543326	Inhibition of Pim1 (unknown origin)
50022572	13	ChEMBL_2543327	Inhibition of CDK1/cycB (unknown origin)
50022572	14	ChEMBL_2543328	Inhibition of CDK5/p35 (unknown origin)
50022572	15	ChEMBL_2543329	Inhibition of ASK1 (unknown origin)
50022572	16	ChEMBL_2543330	Inhibition of Axl (unknown origin)
50022572	17	ChEMBL_2543331	Inhibition of Mer (unknown origin)
50022572	18	ChEMBL_2543332	Inhibition of RIPK2 (unknown origin)
50022573	1	ChEMBL_2543403	Inhibition of N-terminal 6His-tagged human recombinant PAK4 kinase domain (300 to 591 residues) using EVPRRKSLVGTPYWM peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assay
50022573	2	ChEMBL_2543404	Binding affinity to PAK4 catalytic domain (unknown origin) assessed as equilibrium dissociation constant at 50 uM by ITC analysis
50022573	3	ChEMBL_2543408	Binding affinity to biotin-tagged PAK4 (unknown origin) assessed as dissociation constant by SPR analysis
50022573	4	ChEMBL_2543411	Inhibition of PAK5 (unknown origin) using EVPRRKSLVGTPYWM peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assay
50022573	5	ChEMBL_2543412	Inhibition of PAK6 (unknown origin) using EVPRRKSLVGTPYWM peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assay
50022573	6	ChEMBL_2543413	Inhibition of PAK1 (unknown origin) using Syntide-2 PLARTLSVAGLPGKK peptide as substrate assessed as inhibition constant in presence of ATP by biochemical assay
50022573	7	ChEMBL_2543414	Inhibition of PAK2 (unknown origin)
50022573	8	ChEMBL_2543415	Inhibition of PAK3 (unknown origin)
50022573	9	ChEMBL_2543416	Inhibition of PAK4 Kinase domain (291 to 591 residues) (unknown origin) transfected in TR-293-KDG cells using GEFH1 as substrate assessed as inhibition of PAK4-dependent phosphorylation of GEFH1 at S810 residue incubated for 3 hrs by ELISA
50022573	10	ChEMBL_2543574	Inhibition of human AMPK alpha1/beta1/gamma1 assessed as inhibition constant in presence of ATP
50022573	11	ChEMBL_2543575	Inhibition of human RSK2 assessed as inhibition constant in presence of ATP
50022573	12	ChEMBL_2543576	Inhibition of human CHK2 assessed as inhibition constant in presence of ATP
50022573	13	ChEMBL_2543577	Inhibition of human FLT3 assessed as inhibition constant in presence of ATP
50022573	14	ChEMBL_2543578	Inhibition of human RSK1 assessed as inhibition constant in presence of ATP
50022573	15	ChEMBL_2543579	Inhibition of human PKCtheta assessed as inhibition constant in presence of ATP
50022573	16	ChEMBL_2543580	Inhibition of human YES1 assessed as inhibition constant in presence of ATP
50022573	17	ChEMBL_2543581	Inhibition of human FYN assessed as inhibition constant in presence of ATP
50022573	18	ChEMBL_2543583	Inhibition of human PKD2 (PRKD2) assessed as inhibition constant in presence of ATP
50022573	19	ChEMBL_2543584	Inhibition of human RSK3 assessed as inhibition constant in presence of ATP
50022573	20	ChEMBL_2543585	Inhibition of human SRC assessed as inhibition constant in presence of ATP
50022573	21	ChEMBL_2543587	Inhibition of human PKCbeta1 assessed as inhibition constant in presence of ATP
50022573	22	ChEMBL_2543588	Inhibition of human PKCmu assessed as inhibition constant in presence of ATP
50022573	23	ChEMBL_2543589	Inhibition of human PRKG1 assessed as inhibition constant in presence of ATP
50022573	24	ChEMBL_2543590	Inhibition of human AKT3 assessed as inhibition constant in presence of ATP
50022573	25	ChEMBL_2543591	Inhibition of human PRK1 assessed as inhibition constant in presence of ATP
50022573	26	ChEMBL_2543592	Inhibition of human FGR assessed as inhibition constant in presence of ATP
50022573	27	ChEMBL_2543593	Inhibition of human PKCgamma assessed as inhibition constant in presence of ATP
50022573	28	ChEMBL_2543594	Inhibition of human AMPK alpha1/beta1/gamma1 in presence of ATP
50022573	29	ChEMBL_2543595	Inhibition of human RSK2 in presence of ATP
50022573	30	ChEMBL_2543596	Inhibition of human CHK2 in presence of ATP
50022573	31	ChEMBL_2543597	Inhibition of human FLT3 in presence of ATP
50022573	32	ChEMBL_2543598	Inhibition of human RSK1 in presence of ATP
50022573	33	ChEMBL_2543599	Inhibition of human PKCtheta in presence of ATP
50022573	34	ChEMBL_2543600	Inhibition of human YES1 in presence of ATP
50022573	35	ChEMBL_2543601	Inhibition of human FYN in presence of ATP
50022573	36	ChEMBL_2543602	Inhibition of human PKCbeta-II in presence of ATP
50022573	37	ChEMBL_2543603	Inhibition of human PKD2 (PRKD2) in presence of ATP
50022573	38	ChEMBL_2543605	Inhibition of human SRC in presence of ATP
50022573	39	ChEMBL_2543606	Inhibition of human TRKa in presence of ATP
50022573	40	ChEMBL_2543607	Inhibition of human PKCbeta1 in presence of ATP
50022573	41	ChEMBL_2543608	Inhibition of human PKCmu in presence of ATP
50022573	42	ChEMBL_2543609	Inhibition of human PRKG1 in presence of ATP
50022573	43	ChEMBL_2543611	Inhibition of human PRK1 in presence of ATP
50022573	44	ChEMBL_2543612	Inhibition of human FGR in presence of ATP
50022573	45	ChEMBL_2543613	Inhibition of human PKCgamma in presence of ATP
50022573	46	ChEMBL_2543614	Inhibition of human AMPK alpha1/beta1/gamma1 in presence of ATP by cellular assay
50022573	47	ChEMBL_2543615	Inhibition of human RSK2 in presence of ATP by cellular assay
50022573	48	ChEMBL_2543616	Inhibition of human CHK2 in presence of ATP by cellular assay
50022573	49	ChEMBL_2543617	Inhibition of human FLT3 in presence of ATP by cellular assay
50022573	50	ChEMBL_2543618	Inhibition of human RSK1 in presence of ATP by cellular assay
50022573	51	ChEMBL_2543619	Inhibition of human PKCtheta in presence of ATP by cellular assay
50022573	52	ChEMBL_2543620	Inhibition of human YES1 in presence of ATP by cellular assay
50022573	53	ChEMBL_2543621	Inhibition of human FYN in presence of ATP by cellular assay
50022573	54	ChEMBL_2543622	Inhibition of human PKCbeta-II in presence of ATP by cellular assay
50022573	55	ChEMBL_2543623	Inhibition of human PKD2 (PRKD2) in presence of ATP by cellular assay
50022573	56	ChEMBL_2543624	Inhibition of human RSK3 in presence of ATP by cellular assay
50022573	57	ChEMBL_2543625	Inhibition of human SRC in presence of ATP by cellular assay
50022573	58	ChEMBL_2543626	Inhibition of human TRKa in presence of ATP by cellular assay
50022573	59	ChEMBL_2543627	Inhibition of human PKCbeta1 in presence of ATP by cellular assay
50022573	60	ChEMBL_2543628	Inhibition of human PKCmu in presence of ATP by cellular assay
50022573	61	ChEMBL_2543629	Inhibition of human PRKG1 in presence of ATP by cellular assay
50022573	62	ChEMBL_2543630	Inhibition of human AKT3 in presence of ATP by cellular assay
50022573	63	ChEMBL_2543631	Inhibition of human PRK1 in presence of ATP by cellular assay
50022573	64	ChEMBL_2543632	Inhibition of human FGR in presence of ATP by cellular assay
50022573	65	ChEMBL_2543633	Inhibition of human PKCgamma in presence of ATP by cellular assay
50022574	1	ChEMBL_2543696	Antagonist activity at recombinant human TRPA1 expressed in HEK293F cells assessed as reduction in AITC-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	2	ChEMBL_2543698	Antagonist activity at rat TRPA1 expressed in HEK293F cells assessed as reduction in AITC-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	3	ChEMBL_2543703	Antagonist activity at mouse TRPA1 expressed in HEK293F cells assessed as reduction in AITC-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	4	ChEMBL_2543704	Antagonist activity at GFP-tagged human TRPA1 transfected in HEK293F cells assessed as reduction in AITC-induced inward current at -60 mV holding potential by electrophysiological recordings
50022574	5	ChEMBL_2543705	Antagonist activity at GFP-tagged rat TRPA1 transfected in HEK293F cells assessed as reduction in AITC-induced inward current at -60 mV holding potential by electrophysiological recordings
50022574	6	ChEMBL_2543719	Antagonist activity at human TRPV1 expressed in HEK293F cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	7	ChEMBL_2543720	Antagonist activity at rat TRPV2 expressed in HEK293F cells assessed as inhibition of 2APB-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	8	ChEMBL_2543721	Antagonist activity at endogenous TRPV3 in human epithelial cells assessed as inhibition of 2APB-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	9	ChEMBL_2543722	Antagonist activity at human TRPV4 expressed in HEK293F cells assessed as inhibition of mOsmo-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	10	ChEMBL_2543723	Antagonist activity at human TRPM8 expressed in HEK293F cells assessed as inhibition of menthol-induced increase in intracellular Ca2+ level by FLIPR-based Ca2+ assay
50022574	11	ChEMBL_2543753	Antagonist activity at TRPA1 (unknown origin)
50022574	12	ChEMBL_2543754	Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced increase in intracellular calcium level incubated for 1 hrs by FLIPR based analysis
50022574	13	ChEMBL_2543760	Antagonist activity at TRPV1 (unknown origin)
50022575	1	ChEMBL_2543775	Inhibition of human N-terminal his tagged native ABL1 (229 to 499 residues) expressed in Sf9 cells using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	2	ChEMBL_2543776	Inhibition of human ABL1 T315I mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	3	ChEMBL_2543777	Inhibition of human N-terminal his tagged unphosphorylated native ABL1 (229 to 499 residues) expressed in Sf9 cells using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	4	ChEMBL_2543778	Inhibition of human N-terminal his tagged phosphorylated native ABL1 (229 to 499 residues) expressed in Sf9 cells using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	5	ChEMBL_2543779	Inhibition of human unphosphorylated ABL1 T315I mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	6	ChEMBL_2543780	Inhibition of human phosphorylated ABL1 T315I mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	7	ChEMBL_2543781	Inhibition of human ABL1 H396P mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	8	ChEMBL_2543783	Inhibition of human wild type BLK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	9	ChEMBL_2543784	Inhibition of human wild type FGFR2 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	10	ChEMBL_2543785	Inhibition of human wild type FLT3 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	11	ChEMBL_2543786	Inhibition of human wild type KDR expressed in Sf9 cells using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	12	ChEMBL_2543787	Inhibition of human wild type LCK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	13	ChEMBL_2543788	Inhibition of human wild type MER using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	14	ChEMBL_2543789	Inhibition of human wild type TAK1 using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	15	ChEMBL_2543790	Inhibition of human wild type TIE2 using PolyE4Y as substrate preincubated for 1 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by fluorescence polarization analysis
50022575	16	ChEMBL_2543791	Inhibition of human wild type TRKA using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	17	ChEMBL_2543793	Inhibition of human wild type AXL using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	18	ChEMBL_2543794	Inhibition of human wild type BRK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	19	ChEMBL_2543795	Inhibition of human wild type CSK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	20	ChEMBL_2543796	Inhibition of human wild type DDR2 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	21	ChEMBL_2543797	Inhibition of human wild type EPHA6 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	22	ChEMBL_2543798	Inhibition of human wild type EPHA7 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	23	ChEMBL_2543799	Inhibition of human wild type EPHB4 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	24	ChEMBL_2543800	Inhibition of human wild type FGFR1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	25	ChEMBL_2543801	Inhibition of human wild type FGFR3 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	26	ChEMBL_2543802	Inhibition of human wild type FGR using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	27	ChEMBL_2543803	Inhibition of human wild type FRK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	28	ChEMBL_2543804	Inhibition of human wild type FYN using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	29	ChEMBL_2543805	Inhibition of human wild type HCK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	30	ChEMBL_2543806	Inhibition of human wild type HGK using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	31	ChEMBL_2543807	Inhibition of human wild type IRAK1 using RB-CTF as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	32	ChEMBL_2543808	Inhibition of human wild type KHS using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	33	ChEMBL_2543809	Inhibition of human wild type LIMK1 using CFL2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	34	ChEMBL_2543810	Inhibition of human LOK preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	35	ChEMBL_2543811	Inhibition of human wild type LYN using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	36	ChEMBL_2543812	Inhibition of human LYNB preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	37	ChEMBL_2543813	Inhibition of human wild type MINK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	38	ChEMBL_2543814	Inhibition of human wild type MLK1 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	39	ChEMBL_2543815	Inhibition of human wild type PDGFR alpha using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	40	ChEMBL_2543816	Inhibition of human wild type SKY using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	41	ChEMBL_2543817	Inhibition of human wild type full length SRC (1 to 536 residues) using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	42	ChEMBL_2543818	Inhibition of human wild type TRKB using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	43	ChEMBL_2543819	Inhibition of human wild type TRKC using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	44	ChEMBL_2543820	Inhibition of human wild type YES using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	45	ChEMBL_2543821	Inhibition of human wild type ZAK using MBP as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	46	ChEMBL_2543822	Inhibition of human ARAF preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	47	ChEMBL_2543823	Inhibition of human wild type Bmx using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	48	ChEMBL_2543824	Inhibition of human wild type BTK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	49	ChEMBL_2543825	Inhibition of human wild type CDK1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	50	ChEMBL_2543826	Inhibition of human wild type CDK4/cyclinD1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	51	ChEMBL_2543827	Inhibition of human wild type DYRK3 using RBER-IRStide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	52	ChEMBL_2543828	Inhibition of human wild type EPHA1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	53	ChEMBL_2543829	Inhibition of human wild type EPHB2 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	54	ChEMBL_2543830	Inhibition of human wild type FAK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	55	ChEMBL_2543831	Inhibition of human wild type FER using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	56	ChEMBL_2543832	Inhibition of human wild type FES using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	57	ChEMBL_2543833	Inhibition of human wild type FGFR4 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	58	ChEMBL_2543834	Inhibition of human wild type FLT1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	59	ChEMBL_2543835	Inhibition of human wild type FLT4 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	60	ChEMBL_2543836	Inhibition of human wild type FMS using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	61	ChEMBL_2543837	Inhibition of human wild type GCK using Chocktide-PKC(19t o 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	62	ChEMBL_2543838	Inhibition of human wild type HIPK4 using RBER-IRStide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	63	ChEMBL_2543839	Inhibition of human wild type ITK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	64	ChEMBL_2543840	Inhibition of human wild type JAK1 using RBER-IRStide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	65	ChEMBL_2543841	Inhibition of human wild type JNK2alpha2 using ATF2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	66	ChEMBL_2543842	Inhibition of human wild type KIT using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	67	ChEMBL_2543843	Inhibition of human wild type LRRK2 using RBER-GSK3(14to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	68	ChEMBL_2543844	Inhibition of human wild type MET using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	69	ChEMBL_2543845	Inhibition of human wild type MLK3 using MBP as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	70	ChEMBL_2543846	Inhibition of human wild type MNK2 using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	71	ChEMBL_2543847	Inhibition of human wild type NEK9 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	72	ChEMBL_2543848	Inhibition of human wild type p38 alpha using ATF2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	73	ChEMBL_2543849	Inhibition of human wild type p38 beta using ATF2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	74	ChEMBL_2543851	Inhibition of human wild type PYK2 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	75	ChEMBL_2543852	Inhibition of human wild type RAF1 using MEK1-K97M as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	76	ChEMBL_2543853	Inhibition of human wild type RON using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	77	ChEMBL_2543854	Inhibition of human wild type ROS using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	78	ChEMBL_2543855	Inhibition of human wild type RSK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	79	ChEMBL_2543856	Inhibition of human wild type SLK using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	80	ChEMBL_2543857	Inhibition of human wild type SRMS using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	81	ChEMBL_2543858	Inhibition of human wild type SYK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	82	ChEMBL_2543859	Inhibition of human wild type TTK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	83	ChEMBL_2543860	Inhibition of human wild type TYK1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	84	ChEMBL_2543861	Inhibition of human wild type ULK2 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	85	ChEMBL_2543862	Inhibition of human wild type ACK1 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	86	ChEMBL_2543863	Inhibition of human wild type AKT1 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	87	ChEMBL_2543864	Inhibition of human wild type ALK1 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	88	ChEMBL_2543865	Inhibition of human wild type ASK1 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	89	ChEMBL_2543866	Inhibition of human wild type AuroraA using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	90	ChEMBL_2543867	Inhibition of human wild type AuroraB using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	91	ChEMBL_2543868	Inhibition of human wild type AuroraC using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	92	ChEMBL_2543869	Inhibition of human wild type BRAF using MEK1-K97M as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	93	ChEMBL_2543870	Inhibition of human wild type BRSK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	94	ChEMBL_2543871	Inhibition of human CAMK1alpha preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	95	ChEMBL_2543872	Inhibition of human wild type CDK1/cyclinA using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	96	ChEMBL_2543874	Inhibition of human wild type CDK3/cyclinE using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	97	ChEMBL_2543875	Inhibition of human wild type CDK4/cyclinD3 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	98	ChEMBL_2543876	Inhibition of human wild type CHK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	99	ChEMBL_2543877	Inhibition of human wild type CK1 alpha using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	100	ChEMBL_2543878	Inhibition of human wild type CLK1 using autophos as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	101	ChEMBL_2543879	Inhibition of human wild type COT1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	102	ChEMBL_2543880	Inhibition of human CRAF preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	103	ChEMBL_2543881	Inhibition of human wild type CTK using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	104	ChEMBL_2543882	Inhibition of human wild type DAPK1 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	105	ChEMBL_2543883	Inhibition of human wild type DCamKL2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	106	ChEMBL_2543884	Inhibition of human wild type DMPK using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	107	ChEMBL_2543885	Inhibition of human wild type DRAK1 using RB-CTF as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	108	ChEMBL_2543886	Inhibition of human wild type DYRK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	109	ChEMBL_2543887	Inhibition of human wild type EGFR using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	110	ChEMBL_2543888	Inhibition of human wild type EPHB3 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	111	ChEMBL_2543889	Inhibition of human wild type ERK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	112	ChEMBL_2543890	Inhibition of human wild type ERK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	113	ChEMBL_2543891	Inhibition of human wild type GRK2 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	114	ChEMBL_2543892	Inhibition of human wild type GSK3 alpha using SUPT5 754to 837 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	115	ChEMBL_2543893	Inhibition of human wild type GSK3 beta using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	116	ChEMBL_2543894	Inhibition of human wild type HER2 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	117	ChEMBL_2543895	Inhibition of human wild type HER4 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	118	ChEMBL_2543896	Inhibition of human wild type HIPK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	119	ChEMBL_2543897	Inhibition of human wild type IGF1R using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	120	ChEMBL_2543898	Inhibition of human wild type IKK alpha using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	121	ChEMBL_2543899	Inhibition of human wild type IR using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	122	ChEMBL_2543900	Inhibition of human wild type IRAK4 using RB-CTF as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	123	ChEMBL_2543901	Inhibition of human wild type IRR using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	124	ChEMBL_2543902	Inhibition of human wild type JAK2 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	125	ChEMBL_2543903	Inhibition of human wild type JAK3 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	126	ChEMBL_2543904	Inhibition of human wild type JNK1alpha1 using ATF2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	127	ChEMBL_2543905	Inhibition of human wild type JNK3 using ATF2 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	128	ChEMBL_2543906	Inhibition of human wild type LKB1 using RB-CTF as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	129	ChEMBL_2543907	Inhibition of human wild type MAPKAPK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	130	ChEMBL_2543908	Inhibition of human wild type MARK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	131	ChEMBL_2543909	Inhibition of human wild type MEK1 using ERK2-KR as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	132	ChEMBL_2543910	Inhibition of human wild type MELK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	133	ChEMBL_2543911	Inhibition of human MK2 preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	134	ChEMBL_2543912	Inhibition of human wild type MKK6 using p38-alpha KA as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	135	ChEMBL_2543913	Inhibition of human wild type MLCK using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	136	ChEMBL_2543914	Inhibition of human wild type MLCK2 using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	137	ChEMBL_2543915	Inhibition of human wild type MLK2 using Histon H2B as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	138	ChEMBL_2543916	Inhibition of human wild type MNK1 using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	139	ChEMBL_2543917	Inhibition of human wild type MRCK alpha using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	140	ChEMBL_2543918	Inhibition of human wild type MSK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	141	ChEMBL_2543919	Inhibition of human wild type MSK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	142	ChEMBL_2543920	Inhibition of human wild type MSSK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	143	ChEMBL_2543921	Inhibition of human wild type MST1 using RB-CTF as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	144	ChEMBL_2543922	Inhibition of human wild type mTOR using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	145	ChEMBL_2543923	Inhibition of human wild type MUSK using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	146	ChEMBL_2543924	Inhibition of human MYO3B preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	147	ChEMBL_2543925	Inhibition of human wild type NEK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	148	ChEMBL_2543926	Inhibition of human wild type NIK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	149	ChEMBL_2543927	Inhibition of human wild type NLK using RBER-GSK3(14-27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	150	ChEMBL_2543928	Inhibition of human OSR1 preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	151	ChEMBL_2543929	Inhibition of human wild type p38 gamma using RBER-IRStide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	152	ChEMBL_2543930	Inhibition of human wild type p38 delta using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	153	ChEMBL_2543931	Inhibition of human wild type PAK1 using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	154	ChEMBL_2543932	Inhibition of human wild type PASK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	155	ChEMBL_2543933	Inhibition of human wild type PBK using Histon H1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	156	ChEMBL_2543934	Inhibition of human wild type PDK1 using bio-4xCHKT as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	157	ChEMBL_2543935	Inhibition of human wild type PHKgamma1 using 3xChocktide-PKC(19-31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	158	ChEMBL_2543936	Inhibition of human wild type PIM1 using RBER-GSK3(14to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	159	ChEMBL_2543937	Inhibition of human wild type PIM2 using RBER-GSK3(14to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	160	ChEMBL_2543939	Inhibition of human wild type PKC alpha using 3xChocktide-PKC(19to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	161	ChEMBL_2543940	Inhibition of human wild type PKCbeta1 using 3xChocktide-PKC(19to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	162	ChEMBL_2543941	Inhibition of human wild type PKC delta using 3xChocktide-PKC(19to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	163	ChEMBL_2543942	Inhibition of human wild type PKC gamma using 3xChocktide-PKC(19to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	164	ChEMBL_2543943	Inhibition of human wild type PKD2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	165	ChEMBL_2543944	Inhibition of human wild type PKG1 alpha using 3xChocktide-PKC(19to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	166	ChEMBL_2543945	Inhibition of human wild type PKG2 using RBER-GSK3(14to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	167	ChEMBL_2543946	Inhibition of human wild type PKN1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	168	ChEMBL_2543947	Inhibition of human wild type PLK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	169	ChEMBL_2543948	Inhibition of human wild type PRKX using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	170	ChEMBL_2543949	Inhibition of human wild type RIPK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	171	ChEMBL_2543950	Inhibition of human wild type ROCK1 using 3xChocktide-PKC(19 to 31) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	172	ChEMBL_2543951	Inhibition of human wild type RSK4 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	173	ChEMBL_2543952	Inhibition of human wild type SGK1 using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	174	ChEMBL_2543953	Inhibition of human wild type SIK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	175	ChEMBL_2543954	Inhibition of human wild type SNARK using Histon H2B as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	176	ChEMBL_2543955	Inhibition of human wild type SRPK1 using MBP as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	177	ChEMBL_2543956	Inhibition of human wild type STK16 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	178	ChEMBL_2543957	Inhibition of human wild type STK25 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	179	ChEMBL_2543958	Inhibition of human wild type STK33 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	180	ChEMBL_2543959	Inhibition of human TAOK1 preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	181	ChEMBL_2543960	Inhibition of human wild type TBK1 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	182	ChEMBL_2543961	Inhibition of human wild type TEC using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	183	ChEMBL_2543962	Inhibition of human wild type TGFbetaR2 using RB-S6P as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	184	ChEMBL_2543963	Inhibition of human wild type TSSK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	185	ChEMBL_2543964	Inhibition of human wild type TXK using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	186	ChEMBL_2543965	Inhibition of human wild type TYK2 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	187	ChEMBL_2543966	Inhibition of human wild type ULK1 using Casein as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	188	ChEMBL_2543967	Inhibition of human wild type VRK1 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	189	ChEMBL_2543968	Inhibition of human wild type WEE1 using Poly(Ala,Glu,Lys,Tyr)6:2:5:1 as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	190	ChEMBL_2543969	Inhibition of human wild type WNK2 using RBER-CHKtide as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	191	ChEMBL_2543970	Inhibition of human wild type ZAP70 using PolyEY as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	192	ChEMBL_2543971	Inhibition of human wild type ZIPK using RBER-GSK3(14 to 27) as substrate preincubated for 2 hrs followed by ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	193	ChEMBL_2543972	Inhibition of human N-terminal his tagged native ABL1 (229 to 499 residues) expressed in Sf9 cells using ABLtide as substrate preincubated for 2 hrs followed by 0.5 mM ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	194	ChEMBL_2543973	Inhibition of human N-terminal his tagged native ABL1 (229 to 499 residues) expressed in Sf9 cells using ABLtide as substrate preincubated for 2 hrs followed by 5 mM ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	195	ChEMBL_2543974	Inhibition of human ABL1 T315I mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by 0.5 mM ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	196	ChEMBL_2543975	Inhibition of human ABL1 T315I mutant (229 to 499 residues) using ABLtide as substrate preincubated for 2 hrs followed by 5 mM ATP addition and measured every 2 mins for 2.5 hrs by spectrophotometric analysis
50022575	197	ChEMBL_2543999	Inhibition of native BCR-ABL autophosphorylation in mouse BaF3 cells incubated for 6 hrs by immunoblot analysis
50022575	198	ChEMBL_2544000	Inhibition of native BCR-ABL T315I mutant autophosphorylation in mouse BaF3 cells incubated for 6 hrs by immunoblot analysis
50022575	199	ChEMBL_2544003	Inhibition of CrkL in mouse BaF3 cells harbouring BCR-ABL1 native measured after 6 hrs by immunoblotting analysis
50022575	200	ChEMBL_2544004	Inhibition of CrkL in mouse BaF3 cells harbouring BCR-ABL1 T315I mutant measured after 6 hrs by immunoblotting analysis
50022576	1	ChEMBL_2544017	Inhibition of MEK1 (unknown origin)
50022576	2	ChEMBL_2544018	Inhibition of Abl (unknown origin)
50022576	3	ChEMBL_2544019	Inhibition of Akt1 (unknown origin)
50022576	4	ChEMBL_2544020	Inhibition of Akt2 (unknown origin)
50022576	5	ChEMBL_2544021	Inhibition of ALK (unknown origin)
50022576	6	ChEMBL_2544023	Inhibition of ASK1 (unknown origin)
50022576	7	ChEMBL_2544024	Inhibition of AuroraA (unknown origin)
50022576	8	ChEMBL_2544025	Inhibition of BRAF (unknown origin)
50022576	9	ChEMBL_2544026	Inhibition of B-RAF V600E (unknown origin)
50022576	10	ChEMBL_2544027	Inhibition of Btk (unknown origin)
50022576	11	ChEMBL_2544028	Inhibition of CamK2a (unknown origin)
50022576	12	ChEMBL_2544029	Inhibition of CaMK1 (unknown origin)
50022576	13	ChEMBL_2544030	Inhibition of CDK2/cyclinE (unknown origin)
50022576	14	ChEMBL_2544031	Inhibition of CDK6/cyclinD3 (unknown origin)
50022576	15	ChEMBL_2544032	Inhibition of CHK1 (unknown origin)
50022576	16	ChEMBL_2544033	Inhibition of CHK2 (unknown origin)
50022576	17	ChEMBL_2544034	Inhibition of CK1 (unknown origin)
50022576	18	ChEMBL_2544035	Inhibition of CK2 (unknown origin)
50022576	19	ChEMBL_2544036	Inhibition of CLK3 (unknown origin)
50022576	20	ChEMBL_2544037	Inhibition of cRAF (unknown origin)
50022576	21	ChEMBL_2544038	Inhibition of DAPK1 (unknown origin)
50022576	22	ChEMBL_2544039	Inhibition of DYRK2 (unknown origin)
50022576	23	ChEMBL_2544040	Inhibition of EGFR (unknown origin)
50022576	24	ChEMBL_2544041	Inhibition of EMK1 (unknown origin)
50022576	25	ChEMBL_2544042	Inhibition of EphA2 (unknown origin)
50022576	26	ChEMBL_2544043	Inhibition of EphA4 (unknown origin)
50022576	27	ChEMBL_2544044	Inhibition of EphB4 (unknown origin)
50022576	28	ChEMBL_2544045	Inhibition of ErbB2 (unknown origin)
50022576	29	ChEMBL_2544046	Inhibition of ERK1 (unknown origin)
50022576	30	ChEMBL_2544047	Inhibition of ERK2 (unknown origin)
50022576	31	ChEMBL_2544048	Inhibition of FAK (unknown origin)
50022576	32	ChEMBL_2544049	Inhibition of Fes (unknown origin)
50022576	33	ChEMBL_2544050	Inhibition of FGFR1 (unknown origin)
50022576	34	ChEMBL_2544051	Inhibition of FGFR3 (unknown origin)
50022576	35	ChEMBL_2544052	Inhibition of Flt1 (unknown origin)
50022576	36	ChEMBL_2544053	Inhibition of Flt3 (unknown origin)
50022576	37	ChEMBL_2544054	Inhibition of Flt4 (unknown origin)
50022576	38	ChEMBL_2544055	Inhibition of Fms (unknown origin)
50022576	39	ChEMBL_2544056	Inhibition of GRK2 (unknown origin)
50022576	40	ChEMBL_2544057	Inhibition of GRK5 (unknown origin)
50022576	41	ChEMBL_2544058	Inhibition of GSK3beta (unknown origin)
50022576	42	ChEMBL_2544059	Inhibition of Hck (unknown origin)
50022576	43	ChEMBL_2544060	Inhibition of HIPK1 (unknown origin)
50022576	44	ChEMBL_2544061	Inhibition of IGF1R (unknown origin)
50022576	45	ChEMBL_2544062	Inhibition of IKKa (unknown origin)
50022576	46	ChEMBL_2544063	Inhibition of IRAK1 (unknown origin)
50022576	47	ChEMBL_2544064	Inhibition of insulin receptor (unknown origin)
50022576	48	ChEMBL_2544065	Inhibition of JAK2 (unknown origin)
50022576	49	ChEMBL_2544066	Inhibition of JNK1 (unknown origin)
50022576	50	ChEMBL_2544067	Inhibition of KDR (unknown origin)
50022576	51	ChEMBL_2544068	Inhibition of Kit (unknown origin)
50022576	52	ChEMBL_2544069	Inhibition of Lck (unknown origin)
50022576	53	ChEMBL_2544070	Inhibition of LOK (unknown origin)
50022576	54	ChEMBL_2544071	Inhibition of Lyn (unknown origin)
50022576	55	ChEMBL_2544072	Inhibition of MAP4K3 (unknown origin)
50022576	56	ChEMBL_2544073	Inhibition of MAPKAP2 (unknown origin)
50022576	57	ChEMBL_2544074	Inhibition of MARK1 (unknown origin)
50022576	58	ChEMBL_2544075	Inhibition of Met (unknown origin)
50022576	59	ChEMBL_2544076	Inhibition of MINK (unknown origin)
50022576	60	ChEMBL_2544077	Inhibition of MKK4 (unknown origin)
50022576	61	ChEMBL_2544078	Inhibition of MKK6 (unknown origin)
50022576	62	ChEMBL_2544079	Inhibition of MKK7beta (unknown origin)
50022576	63	ChEMBL_2544080	Inhibition of MLK1 (unknown origin)
50022576	64	ChEMBL_2544081	Inhibition of MSK1 (unknown origin)
50022576	65	ChEMBL_2544082	Inhibition of MST1 (unknown origin)
50022576	66	ChEMBL_2544083	Inhibition of NEK3 (unknown origin)
50022576	67	ChEMBL_2544084	Inhibition of NEK7 (unknown origin)
50022576	68	ChEMBL_2544085	Inhibition of NLK (unknown origin)
50022576	69	ChEMBL_2544086	Inhibition of p38alpha (unknown origin)
50022576	70	ChEMBL_2544087	Inhibition of p70S6K (unknown origin)
50022576	71	ChEMBL_2544088	Inhibition of PAK2 (unknown origin)
50022576	72	ChEMBL_2544089	Inhibition of PAK4 (unknown origin)
50022576	73	ChEMBL_2544090	Inhibition of PAK6 (unknown origin)
50022576	74	ChEMBL_2544091	Inhibition of PASK (unknown origin)
50022576	75	ChEMBL_2544092	Inhibition of PDGFR beta (unknown origin)
50022576	76	ChEMBL_2544093	Inhibition of PDGFRalpha (unknown origin)
50022576	77	ChEMBL_2544094	Inhibition of PDK1 (unknown origin)
50022576	78	ChEMBL_2544095	Inhibition of PI3Kalpha (unknown origin)
50022576	79	ChEMBL_2544096	Inhibition of PI3Kbeta (unknown origin)
50022576	80	ChEMBL_2544097	Inhibition of PI3Kgamma (unknown origin)
50022576	81	ChEMBL_2544098	Inhibition of PIM1 (unknown origin)
50022576	82	ChEMBL_2544099	Inhibition of PIM2 (unknown origin)
50022576	83	ChEMBL_2544100	Inhibition of PIM3 (unknown origin)
50022576	84	ChEMBL_2544102	Inhibition of PKCbeta2 (unknown origin)
50022576	85	ChEMBL_2544103	Inhibition of PKC alpha (unknown origin)
50022576	86	ChEMBL_2544104	Inhibition of PKCg (unknown origin)
50022576	87	ChEMBL_2544105	Inhibition of PKD2 (unknown origin)
50022576	88	ChEMBL_2544106	Inhibition of Plk3 (unknown origin)
50022576	89	ChEMBL_2544107	Inhibition of ROCK1 (unknown origin)
50022576	90	ChEMBL_2544108	Inhibition of RON (unknown origin)
50022576	91	ChEMBL_2544109	Inhibition of Rsk1 (unknown origin)
50022576	92	ChEMBL_2544110	Inhibition of SGK (unknown origin)
50022576	93	ChEMBL_2544111	Inhibition of SYK (unknown origin)
50022576	94	ChEMBL_2544112	Inhibition of SRC (unknown origin)
50022576	95	ChEMBL_2544113	Inhibition of STK24 (unknown origin)
50022576	96	ChEMBL_2544114	Inhibition of Tie-2 (unknown origin)
50022576	97	ChEMBL_2544115	Inhibition of TrkB (unknown origin)
50022576	98	ChEMBL_2544116	Inhibition of TSSK1 (unknown origin)
50022576	99	ChEMBL_2544117	Inhibition of WNK2 (unknown origin)
50022576	100	ChEMBL_2544118	Inhibition of ZAP70 (unknown origin)
50022576	101	ChEMBL_2544220	Inhibition of GST-tagged human recombinant PI3K-p110alpha expressed in baculovirus-infected Sf9 cells incubated for 1 hr by microbeta counter analysis
50022576	102	ChEMBL_2544221	Inhibition of GST-tagged human recombinant PI3K-p110alpha E545A mutant expressed in baculovirus-infected Sf9 cells incubated for 1 hr by microbeta counter analysis
50022576	103	ChEMBL_2544223	Inhibition of GST-tagged human recombinant PI3K-p110beta expressed in baculovirus-infected Sf9 cells incubated for 1 hr by microbeta counter analysis
50022576	104	ChEMBL_2544224	Inhibition of GST-tagged human recombinant PI3K-p110delta expressed in baculovirus-infected Sf9 cells incubated for 1 hr by microbeta counter analysis
50022576	105	ChEMBL_2544225	Inhibition of GST-tagged human recombinant PI3K-p110gamma expressed in baculovirus-infected Sf9 cells incubated for 1 hr by microbeta counter analysis
50022577	1	ChEMBL_2544452	Inhibition of CDK1/CycB (unknown origin) in presence of [gamma-33P]ATP
50022577	2	ChEMBL_2544454	Inhibition of PLK1 (unknown origin) in presence of [gamma-33P]ATP
50022577	3	ChEMBL_2544455	Inhibition of PLK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	4	ChEMBL_2544456	Inhibition of PLK3 (unknown origin) in presence of [gamma-33P]ATP
50022577	5	ChEMBL_2544457	Inhibition of FLT3 (unknown origin) in presence of [gamma-33P]ATP
50022577	6	ChEMBL_2544458	Inhibition of MELK (unknown origin) in presence of [gamma-33P]ATP
50022577	7	ChEMBL_2544459	Inhibition of CK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	8	ChEMBL_2544460	Inhibition of ABL (unknown origin) in presence of [gamma-33P]ATP
50022577	9	ChEMBL_2544461	Inhibition of ACK1 (unknown origin) in presence of [gamma-33P]ATP
50022577	10	ChEMBL_2544462	Inhibition of AKT1 (unknown origin) in presence of [gamma-33P]ATP
50022577	11	ChEMBL_2544463	Inhibition of ALK (unknown origin) in presence of [gamma-33P]ATP
50022577	12	ChEMBL_2544466	Inhibition of BRK (unknown origin) in presence of [gamma-33P]ATP
50022577	13	ChEMBL_2544467	Inhibition of BUB1 (unknown origin) in presence of [gamma-33P]ATP
50022577	14	ChEMBL_2544468	Inhibition of CDC7/DBF4 (unknown origin) in presence of [gamma-33P]ATP
50022577	15	ChEMBL_2544469	Inhibition of CDK2/CycE (unknown origin) in presence of [gamma-33P]ATP
50022577	16	ChEMBL_2544470	Inhibition of CDK4/CycD1 (unknown origin) in presence of [gamma-33P]ATP
50022577	17	ChEMBL_2544471	Inhibition of CDK5/P25 (unknown origin) in presence of [gamma-33P]ATP
50022577	18	ChEMBL_2544472	Inhibition of CHK1 (unknown origin) in presence of [gamma-33P]ATP
50022577	19	ChEMBL_2544473	Inhibition of EEF2K (unknown origin) in presence of [gamma-33P]ATP
50022577	20	ChEMBL_2544474	Inhibition of EGFR1 (unknown origin) in presence of [gamma-33P]ATP
50022577	21	ChEMBL_2544475	Inhibition of EphA2 (unknown origin) in presence of [gamma-33P]ATP
50022577	22	ChEMBL_2544476	Inhibition of ERK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	23	ChEMBL_2544477	Inhibition of FGFR1 (unknown origin) in presence of [gamma-33P]ATP
50022577	24	ChEMBL_2544478	Inhibition of GSK3beta (unknown origin) in presence of [gamma-33P]ATP
50022577	25	ChEMBL_2544479	Inhibition of Haspin (unknown origin) in presence of [gamma-33P]ATP
50022577	26	ChEMBL_2544480	Inhibition of IGFR1 (unknown origin) in presence of [gamma-33P]ATP
50022577	27	ChEMBL_2544481	Inhibition of IKK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	28	ChEMBL_2544482	Inhibition of IR (unknown origin) in presence of [gamma-33P]ATP
50022577	29	ChEMBL_2544483	Inhibition of JAK1 (unknown origin) in presence of [gamma-33P]ATP
50022577	30	ChEMBL_2544484	Inhibition of JAK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	31	ChEMBL_2544485	Inhibition of JAK3 (unknown origin) in presence of [gamma-33P]ATP
50022577	32	ChEMBL_2544486	Inhibition of KIT (unknown origin) in presence of [gamma-33P]ATP
50022577	33	ChEMBL_2544487	Inhibition of LCK (unknown origin) in presence of [gamma-33P]ATP
50022577	34	ChEMBL_2544488	Inhibition of LYN (unknown origin) in presence of [gamma-33P]ATP
50022577	35	ChEMBL_2544489	Inhibition of MAPKAPK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	36	ChEMBL_2544490	Inhibition of MET (unknown origin) in presence of [gamma-33P]ATP
50022577	37	ChEMBL_2544491	Inhibition of MNK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	38	ChEMBL_2544492	Inhibition of MPS1 (unknown origin) in presence of [gamma-33P]ATP
50022577	39	ChEMBL_2544493	Inhibition of MST4 (unknown origin) in presence of [gamma-33P]ATP
50022577	40	ChEMBL_2544494	Inhibition of NEK6 (unknown origin) in presence of [gamma-33P]ATP
50022577	41	ChEMBL_2544495	Inhibition of NIM1 (unknown origin) in presence of [gamma-33P]ATP
50022577	42	ChEMBL_2544496	Inhibition of P38alpha (unknown origin) in presence of [gamma-33P]ATP
50022577	43	ChEMBL_2544497	Inhibition of PAK4 (unknown origin) in presence of [gamma-33P]ATP
50022577	44	ChEMBL_2544499	Inhibition of PDK1 (unknown origin) in presence of [gamma-33P]ATP
50022577	45	ChEMBL_2544500	Inhibition of PERK (unknown origin) in presence of [gamma-33P]ATP
50022577	46	ChEMBL_2544501	Inhibition of PIM1 (unknown origin) in presence of [gamma-33P]ATP
50022577	47	ChEMBL_2544502	Inhibition of PIM2 (unknown origin) in presence of [gamma-33P]ATP
50022577	48	ChEMBL_2544504	Inhibition of PKC beta (unknown origin) in presence of [gamma-33P]ATP
50022577	49	ChEMBL_2544505	Inhibition of RET (unknown origin) in presence of [gamma-33P]ATP
50022577	50	ChEMBL_2544506	Inhibition of ROS (unknown origin) in presence of [gamma-33P]ATP
50022577	51	ChEMBL_2544508	Inhibition of SYK (unknown origin) in presence of [gamma-33P]ATP
50022577	52	ChEMBL_2544509	Inhibition of TLK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	53	ChEMBL_2544510	Inhibition of TRKA (unknown origin) in presence of [gamma-33P]ATP
50022577	54	ChEMBL_2544511	Inhibition of TYK2 (unknown origin) in presence of [gamma-33P]ATP
50022577	55	ChEMBL_2544512	Inhibition of VEGFR2 (unknown origin) in presence of [gamma-33P]ATP
50022577	56	ChEMBL_2544513	Inhibition of VEGFR3 (unknown origin) in presence of [gamma-33P]ATP
50022577	57	ChEMBL_2544514	Inhibition of ZAP70 (unknown origin) in presence of [gamma-33P]ATP
50022577	58	ChEMBL_2544521	Binding affinity to PLK1 (unknown origin) assessed as inhibition constant incubated for 180 mins in presence of [gamma-33P]ATP
50022578	1	ChEMBL_2545325	Inhibition of recombinant human N-terminal His6/Flag-tagged TEV-protease cleavage site fused JMJD3 1637-1675 deletion mutant (1141 to 1682 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated H3K27(14-34)me3 as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins in presence of alpha-KG, FAS and L-ascorbic acid by Alphascreen assay
50022578	2	ChEMBL_2545328	Inhibition of recombinant human N-terminal His6/Flag-tagged TEV-protease cleavage site fused JMJD3 1637-1675 deletion mutant (1141 to 1682 residues) expressed in baculovirus infected Sf9 insect cells using H3K27(me3) as substrate preincubated for 10 mins followed by substrate addition and measured after 7 mins in presence of alpha-KG by RapidFire Mass Spectrometry
50022578	3	ChEMBL_2545329	Inhibition of human JmjD2a using H3K27(me3) as substrate preincubated for 10 mins followed by substrate addition and measured after 7 mins in presence of alpha-KG by RapidFire Mass Spectrometry
50022578	4	ChEMBL_2545330	Inhibition of human JmjD2c using H3K27(me3) as substrate preincubated for 10 mins followed by substrate addition and measured after 7 mins in presence of alpha-KG by RapidFire Mass Spectrometry
50022578	5	ChEMBL_2545331	Inhibition of human JmjD2d using H3K27(me3) as substrate preincubated for 10 mins followed by substrate addition and measured after 7 mins in presence of alpha-KG by RapidFire Mass Spectrometry
50022578	6	ChEMBL_2545332	Inhibition of human JmjD2e using H3K27(me3) as substrate preincubated for 10 mins followed by substrate addition and measured after 7 mins in presence of alpha-KG by RapidFire Mass Spectrometry
50022578	7	ChEMBL_2545333	Inhibition of recombinant human N-terminal His6/Flag-tagged TEV-protease cleavage site fused JMJD3 1637-1675 deletion mutant (1141 to 1682 residues) expressed in baculovirus infected Sf9 insect cells using Biotin-KAPRKQLATKAARK(me3)SAPATGG as substrate by MALDI-TOF analysis
50022578	8	ChEMBL_2545334	Inhibition of human UTX using Biotin-KAPRKQLATKAARK(me3)SAPATGG as substrate by MALDI-TOF analysis
50022578	9	ChEMBL_2545335	Inhibition of human Jarid1c by MALDI-TOF analysis
50022578	10	ChEMBL_2545336	Inhibition of human JmjD2a by Alphascreen assay
50022578	11	ChEMBL_2545337	Inhibition of recombinant human JmjD2e using biotinylated H3K9(1-15)me3 as substrate preincubated for 15 mins followed by substrate addition and measured after 20 mins in presence of alpha-KG, FAS and L-ascorbic acid by Alphascreen assay
50022578	12	ChEMBL_2545338	Inhibition of recombinant human JmjD1a using biotinylated H3K9(1-21)me2 as substrate preincubated for 15 mins followed by substrate addition and measured after 5 mins in presence of alpha-KG, FAS and L-ascorbic acid by Alphascreen assay
50022579	1	ChEMBL_2545597	Inhibition of recombinant human PI3Kbeta using PIP2 as substrate preincubated for 20 mins followed by substrate and ATP addition and measured after 20 mins by biotinylated-PIP3 based alphascreen assay
50022579	2	ChEMBL_2545598	Inhibition of recombinant human PI3Kdelta using PIP2 as substrate preincubated for 20 mins followed by substrate and ATP addition and measured after 20 mins by biotinylated-PIP3 based alphascreen assay
50022579	3	ChEMBL_2545599	Inhibition of human DNA-PK assessed as reduction in protein phosphorylation by ELISA
50022579	4	ChEMBL_2545600	Inhibition of recombinant human PI3Kalpha using PIP2 as substrate preincubated for 20 mins followed by substrate and ATP addition and measured after 20 mins by biotinylated-PIP3 based alphascreen assay
50022579	5	ChEMBL_2545601	Inhibition of recombinant human PI3Kgamma using PIP2 as substrate preincubated for 20 mins followed by substrate and ATP addition and measured after 20 mins by biotinylated-PIP3 based alphascreen assay
50022579	6	ChEMBL_2545608	Inhibition of PI3Kbeta in human MDA-MB-468 cells assessed as reduction in AKT phosphorylation at S473 residue measured after 2 hrs by Alexa Fluor 488 antibody based fluorescence assay
50022579	7	ChEMBL_2545609	Inhibition of mTOR (unknown origin)
50022579	8	ChEMBL_2545610	Inhibition of human src
50022579	9	ChEMBL_2545611	Inhibition of human AurKB
50022579	10	ChEMBL_2545612	Inhibition of phosphodiesterase 4 (unknown origin)
50022579	11	ChEMBL_2545613	Inhibition of human PLK
50022579	12	ChEMBL_2545614	Inhibition of human CSK
50022579	13	ChEMBL_2545615	Inhibition of ATM (unknown origin)
50022579	14	ChEMBL_2545616	Inhibition of human IGF1R
50022579	15	ChEMBL_2545617	Inhibition of human ZAP70
50022579	16	ChEMBL_2545618	Inhibition of human EGFR
50022579	17	ChEMBL_2545619	Inhibition of human KDR
50022579	18	ChEMBL_2545620	Inhibition of human FGFR1
50022579	19	ChEMBL_2545621	Inhibition of human FAK
50022579	20	ChEMBL_2545622	Inhibition of human JAK3
50022579	21	ChEMBL_2545623	Inhibition of human PAK1
50022579	22	ChEMBL_2545624	Inhibition of human CHK1
50022579	23	ChEMBL_2545625	Inhibition of human p38a
50022579	24	ChEMBL_2545626	Inhibition of human CDK2/Cyclin E
50022579	25	ChEMBL_2545781	Inhibition of PI3Kbeta in human platelet rich plasma assessed as reduction in ADP-induced platelet aggregation preincubated for 10 mins followed by 5 uM ADP addition and measured after 5 mins by light transmission aggregometry
50022579	26	ChEMBL_2545782	Inhibition of PI3Kbeta in human platelet rich plasma assessed as reduction in ADP-induced platelet aggregation preincubated for 10 mins followed by 20 uM ADP addition and measured after 5 mins by light transmission aggregometry
50022579	27	ChEMBL_2545783	Inhibition of PI3Kbeta in human blood assessed as reduction in ADP-induced platelet aggregation preincubated for 5 mins followed by ADP addition and measured for 6 mins by impedance aggregometry
50022579	28	ChEMBL_2545784	Inhibition of PI3Kbeta in human blood assessed as reduction in collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition and measured for 6 mins by impedance aggregometry
50022579	29	ChEMBL_2545785	Inhibition of PI3Kbeta in human blood assessed as reduction in whole blood shear-induced platelet adhesion and aggregation by measuring reduction in average size of adhered aggregated measured after 5 mins by cone and plate analyzer technique
50022579	30	ChEMBL_2545791	Inhibition of PI3Kbeta in rat blood assessed as reduction in ADP-induced platelet aggregation preincubated for 5 mins followed by ADP addition and measured for 6 mins by impedance aggregometry
50022579	31	ChEMBL_2545794	Inhibition of PI3Kbeta in human adipocytes assessed as reduction in insulin-induced 2-deoxy-[U-14C]-glucose uptake preincubated for 3 hrs followed by insulin addition and measured after 30 mins by microbeta scintillation counting analysis
50022580	1	ChEMBL_2545840	Inhibition of human recombinant JAK1 incubated for 60 mins
50022580	2	ChEMBL_2545841	Inhibition of human recombinant JAK2 incubated for 60 mins
50022580	3	ChEMBL_2545842	Inhibition of human recombinant JAK3 incubated for 60 mins
50022580	4	ChEMBL_2545843	Inhibition of human recombinant TYK2 incubated for 60 mins
50022580	5	ChEMBL_2545844	Binding affinity to human recombinant JAK1 assessed as dissociation constant by Cheng-Prusoff equation analysis
50022580	6	ChEMBL_2545845	Binding affinity to human recombinant JAK2 assessed as dissociation constant by Cheng-Prusoff equation analysis
50022580	7	ChEMBL_2545846	Binding affinity to human recombinant JAK3 assessed as dissociation constant by Cheng-Prusoff equation analysis
50022580	8	ChEMBL_2545849	Inhibition of JAK1 signaling pathway in human THP-1 cells assessed as reduction in IL-4 induced STAT6 phosphorylation preincubated with compound for 1 hr followed by IL-4 addition and measured after 60 mins by flowcytometry analysis
50022580	9	ChEMBL_2545850	Inhibition of JAK3 signaling pathway in human THP-1 cells assessed as reduction in IL-4 induced STAT6 phosphorylation preincubated with compound for 1 hr followed by IL-4 addition and measured after 60 mins by flowcytometry analysis
50022580	10	ChEMBL_2545851	Inhibition of JAK1/JAK3 signaling pathway in human NK92 cells assessed as reduction in IL-2 induced STAT5 phosphorylation preincubated with compound for 1 hr followed by IL-2 addition and measured after 20 mins by Alphascreen analysis
50022580	11	ChEMBL_2545852	Inhibition of JAK1/TYK2 signaling pathway in human U2OS cells assessed as reduction in IFN-alphaB2-induced STAT1 phosphorylation preincubated with compound for 1 hr followed by IFN-alphaB2 addition and measured after 1 hr by TR-FRET analysis
50022580	12	ChEMBL_2545853	Inhibition of JAK1/JAK2 signaling pathway in human HeLa cells assessed as reduction in OSM-induced STAT1 phosphorylation preincubated with compound for 1 hr followed by OSM addition and measured after 20 mins by luciferase based analysis
50022580	13	ChEMBL_2545854	Inhibition of JAK1/JAK2 signaling pathway in human U2OS cells assessed as reduction in IFN-gamma-induced STAT1 phosphorylation preincubated with compound for 1 hr followed by IFN-gamma addition and measured after 1 hr by TR-FRET analysis
50022580	14	ChEMBL_2545855	Inhibition of JAK2 signaling pathway in human TF-1 cells assessed as reduction in IL-3-induced STAT5 phosphorylation preincubated with compound for 1 hr followed by IL-3 addition and measured after 20 mins by Alphascreen analysis
50022580	15	ChEMBL_2545857	Inhibition of JAK2 signaling pathway in human UT-7/Epo cells assessed as reduction in EPO-induced STAT5 phosphorylation preincubated with compound for 1 hr followed by EPO addition and measured after 20 mins by Alphascreen analysis
50022580	16	ChEMBL_2545858	Inhibition of JAK2 signaling pathway in human 22Rv1 cells assessed as reduction in PRL-induced STAT5 phosphorylation incubated for 20 mins by Western blot analysis
50022580	17	ChEMBL_2545866	Inhibition of JAK1 in human whole blood assessed as reduction in IL6-induced STAT1 phosphorylation in CD4+ T cells preincubated with compound for 30 mins followed by IL-6 addition and measured after 20 mins by flow cytometry analysis
50022580	18	ChEMBL_2545867	Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2-induced STAT5 phosphorylation in CD4+ T cells preincubated with compound for 30 mins followed by IL-2 addition and measured after 20 mins by flow cytometry analysis
50022580	19	ChEMBL_2545868	Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFN-alpha-induced STAT1 phosphorylation in CD4+ T cells preincubated with compound for 30 mins followed by IFN-alpha addition and measured after 20 mins by flow cytometry analysis
50022580	20	ChEMBL_2545869	Inhibition of JAK2 in human whole blood assessed as reduction in GM-CSF-induced STAT5 phosphorylation in CD3-positive T cell preincubated with compound for 30 mins followed by GM-CSF addition and measured after 20 mins by flow cytometry analysis
50022580	21	ChEMBL_2545871	Inhibition of ABL (unknown origin)
50022580	22	ChEMBL_2545879	Inhibition of AURORA-B (unknown origin)
50022580	23	ChEMBL_2545884	Inhibition of BTK (unknown origin)
50022580	24	ChEMBL_2545889	Inhibition of CDK2 (unknown origin)
50022580	25	ChEMBL_2545896	Inhibition of cKIT (unknown origin)
50022580	26	ChEMBL_2545900	Inhibition of CSNK1G2 (unknown origin)
50022580	27	ChEMBL_2545902	Inhibition of DAPK1 (unknown origin)
50022580	28	ChEMBL_2545911	Inhibition of EPHA5 (unknown origin)
50022580	29	ChEMBL_2545921	Inhibition of Flt1 (unknown origin)
50022580	30	ChEMBL_2545922	Inhibition of Flt3 (unknown origin)
50022580	31	ChEMBL_2545923	Inhibition of Flt4 (unknown origin)
50022580	32	ChEMBL_2545924	Inhibition of FMS (unknown origin)
50022580	33	ChEMBL_2545926	Inhibition of GCK (unknown origin)
50022580	34	ChEMBL_2545932	Inhibition of HIPK2 (unknown origin)
50022580	35	ChEMBL_2545933	Inhibition of ICK (unknown origin)
50022580	36	ChEMBL_2545937	Inhibition of IRAK4 (unknown origin)
50022580	37	ChEMBL_2545941	Inhibition of LCK (unknown origin)
50022580	38	ChEMBL_2545945	Inhibition of LYNA (unknown origin)
50022580	39	ChEMBL_2545946	Inhibition of MAP3K3 (unknown origin)
50022580	40	ChEMBL_2545947	Inhibition of MAP4K4 (unknown origin)
50022580	41	ChEMBL_2545949	Inhibition of MAPK12 (unknown origin)
50022580	42	ChEMBL_2545950	Inhibition of MAPK14 (unknown origin)
50022580	43	ChEMBL_2545955	Inhibition of Mer (unknown origin)
50022580	44	ChEMBL_2545958	Inhibition of MINK (unknown origin)
50022580	45	ChEMBL_2545963	Inhibition of MNK2 (unknown origin)
50022580	46	ChEMBL_2545982	Inhibition of PAK6 (unknown origin)
50022580	47	ChEMBL_2546008	Inhibition of ROCK1 (unknown origin)
50022580	48	ChEMBL_2546024	Inhibition of SYK (unknown origin)
50022580	49	ChEMBL_2546025	Inhibition of TAK1 (unknown origin)
50022580	50	ChEMBL_2546027	Inhibition of TBK1 (unknown origin)
50022581	1	ChEMBL_2546104	Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate incubated for 1 hrs in presence of ATP by Adapta TR-FRET assay
50022581	2	ChEMBL_2546105	Inhibition of EGF-stimulated ERK5 autophosphorylation in human HeLa cells preincubated with compound for 1 hrs followed by EGF stimulation for 17 mins by SDS-PAGE analysis
50022581	3	ChEMBL_2546106	Inhibition of N-terminal 6His-tagged human ERK5 expressed in baculovirus infected Sf21 cells co-expressing HA-tagged human MEK5-DD using ARKKRRHPSGPPTA peptide as substrate incubated for 20 mins in presence of [gamma-32P]-ATP by radiochemical assay
50022581	4	ChEMBL_2546580	Inhibition of GST-tagged ERK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins in presence of ATP by PKLight ATP Detection Reagent based analysis
50022581	5	ChEMBL_2546581	Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins in presence of ATP by PKLight ATP Detection Reagent based analysis
50022582	1	ChEMBL_2546886	Inhibition of recombinant human N-terminal GST-fused CDK4 (S4 to E303 residues)/cyclin D1 expressed in Sf9 insect cells using C-terminal Rb fragment as substrate measured after 90 mins in presence of [33P]gamma-ATP by microplate scintillation counting analysis
50022582	2	ChEMBL_2546887	Inhibition of recombinant human full-length N-terminal GST-fused CDK6 (M1 to A326 residues)/cyclin D1 (Q4 to I295 residues) expressed in Sf9 insect cells using C-terminal Rb fragment as substrate measured after 90 mins in presence of [33P]-ATP by microplate scintillation counting analysis
50022582	3	ChEMBL_2546888	ATP competitive inhibition of recombinant human N-terminal GST-fused CDK4 (S4 to E303 residues)/cyclin D1 expressed in Sf9 insect cells using C-terminal Rb fragment as substrate measured after 50 mins in presence of varying levels of [33P]gamma-ATP by Michaelis-Menten equation based kinetic analysis
50022582	4	ChEMBL_2546889	ATP competitive inhibition of recombinant human full-length N-terminal GST-fused CDK6 (M1 to A326 residues)/cyclin D1 (Q4 to I295 residues) expressed in Sf9 insect cells using C-terminal Rb fragment as substrate measured after 50 mins in presence of varying levels of [33P]gamma-ATP by Michaelis-Menten equation based kinetic analysis
50022582	5	ChEMBL_2546890	Inhibition of human CDK1/cyclin B1
50022582	6	ChEMBL_2546891	Inhibition of human CDK2/cyclin E
50022582	7	ChEMBL_2546892	Inhibition of human CDK9/cyclin T1
50022582	8	ChEMBL_2546893	Inhibition of human cRAF
50022582	9	ChEMBL_2546894	Inhibition of human AKT1
50022582	10	ChEMBL_2546895	Inhibition of human CDK7/Mat1/Cyclin H1
50022582	11	ChEMBL_2546896	Inhibition of human PIM1
50022582	12	ChEMBL_2546897	Inhibition of human PIM2
50022582	13	ChEMBL_2546898	Inhibition of human BRAF
50022582	14	ChEMBL_2546899	Inhibition of human Aurora A
50022582	15	ChEMBL_2546900	Inhibition of human Aurora B
50022582	16	ChEMBL_2546901	Inhibition of human PLK1
50022582	17	ChEMBL_2546902	Inhibition of human PLK3
50022582	18	ChEMBL_2546903	Inhibition of human ERK1
50022582	19	ChEMBL_2546904	Inhibition of recombinant human N-terminal His6-tagged HIPK2 (165 to 564 residues) expressed in baculovirus infected Sf21 insect cells using MBP as substrate
50022582	20	ChEMBL_2546905	Inhibition of recombinant human full-length 6His-tagged DYRK2 expressed in baculovirus infected Sf21 insect cells using casein as substrate
50022582	21	ChEMBL_2546907	Inhibition of human GSK3beta
50022582	22	ChEMBL_2546908	Inhibition of recombinant human full-length N-terminal His6-tagged cdk5/N-terminal GST-tagged p35 expressed in baculovirus infected Sf21 cells using histone H1 as substrate
50022582	23	ChEMBL_2546909	Inhibition of recombinant human full-length N-terminal His6-tagged cdk5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 cells using histone H1 as substrate
50022582	24	ChEMBL_2546910	Inhibition of recombinant human N-terminal His6-tagged JNK3 expressed in baculovirus infected Sf21 insect cells
50022582	25	ChEMBL_2546911	Inhibition of recombinant human N-terminal GST-tagged FLT3 D835Y mutant (564 to end residues) expressed in baculovirus infected Sf21 insect cells using Abltide as substrate
50022582	26	ChEMBL_2546918	Inhibition of CDK4/CDK6 in human COLO 205 cells assessed as reduction in Rb phosphorylation at S780 residue measured after 24 hrs by laser-scanning fluorescence cytometry
50022582	27	ChEMBL_2546920	Inhibition of CDK4/CDK6 in human MDA-MB-361 cells assessed as reduction in Rb phosphorylation at S780 residue measured after 6 days by laser-scanning fluorescence cytometry
50022582	28	ChEMBL_2546923	Inhibition of CDK9 in human U2OS cells assessed as reduction in CTD phosphorylation at Ser2 residue measured after 16 hrs by propidium iodide staining based laser-scanning fluorescence cytometry
50022582	29	ChEMBL_2547060	Inhibition of recombinant human full-length N-terminal 6His-tagged DRAK1 expressed in baculovirus infected Sf21 cells using ZIPtide as substrate
50022582	30	ChEMBL_2547061	Inhibition of recombinant human N-terminal 6His-tagged TRKA (440 to end residues) expressed in baculovirus infected Sf21 cells using KKKSPGEYVNIEFG as substrate
50022582	31	ChEMBL_2547062	Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in baculovirus infected Sf21 cells using Abltide as substrate
50022583	1	ChEMBL_2547074	Inhibition of PAK4 (unknown origin) assessed as inhibition constant
50022583	2	ChEMBL_2547075	Inhibition of PAK1 (unknown origin)
50022583	3	ChEMBL_2547076	Inhibition of PAK4 (unknown origin)
50022583	4	ChEMBL_2547078	Inhibition of human recombinant PAK4 assessed as inhibition constant incubated for 10 mins by FRET assay
50022583	5	ChEMBL_2547079	Inhibition of PAK1 (unknown origin) in presence of ATP
50022583	6	ChEMBL_2547080	Inhibition of GST-tagged PAK4 (291 to 591 residues) (unknown origin) expressed in HEK293 cells assessed as inhibition constant
50022583	7	ChEMBL_2547081	Inhibition of PAK4 in mouse NIH3T3 cells assessed as reduction in phosphorylated GEF-H1 accumulation incubated for 30 mins by immunoblotting analysis
50022583	8	ChEMBL_2547085	Inhibition of recombinant PAK1 (unknown origin) assessed as inhibition constant
50022583	9	ChEMBL_2547104	Inhibition of recombinant PAK2 (unknown origin)
50022583	10	ChEMBL_2547105	Inhibition of recombinant PAK3 (unknown origin)
50022583	11	ChEMBL_2547111	Binding affinity to N-terminal his6-tagged human recombinant PAK4 (300 to 591 residues) assessed as dissociation constant by SPR analysis
50022583	12	ChEMBL_2547112	Inhibition of CDK7 (unknown origin)
50022583	13	ChEMBL_2547120	Inhibition of PAK1 (unknown origin) in presence of ATP by Z-LYTE enzymatic kinase assay
50022583	14	ChEMBL_2547121	Inhibition of PAK4 (unknown origin) in presence of ATP by Z-LYTE enzymatic kinase assay
50022583	15	ChEMBL_2547122	Inhibition of PAK1 (unknown origin) using 5-FAM-KPDRKKRYTVVGNPY-amide as substrate incubated for 120 mins by caliper off-chip mobility shift assay
50022583	16	ChEMBL_2547123	Inhibition of PAK4 (unknown origin) using 5-FAM-AhxKKRNRRLSVA-amide as substrate incubated for 90 mins by caliper off-chip mobility shift assay
50022583	17	ChEMBL_2547124	Inhibition of human recombinant PAK4 using KKRNRRLSVA as substrate assessed as inhibition constant preincubated with compound for 10 mins followed by substrate addition and measured after 60 mins by FRET assay
50022583	18	ChEMBL_2547125	Inhibition of human recombinant PAK1 using KKRNRRLSVA as substrate assessed as inhibition constant preincubated with compound for 10 mins followed by substrate addition and measured after 60 mins by FRET assay
50022583	19	ChEMBL_2547128	Binding affinity to PAK2 (unknown origin) assessed as dissociation constant
50022583	20	ChEMBL_2547129	Binding affinity to PAK3 (unknown origin) assessed as dissociation constant
50022583	21	ChEMBL_2547130	Binding affinity to PAK4 (unknown origin) assessed as dissociation constant
50022583	22	ChEMBL_2547131	Binding affinity to PAK7 (unknown origin) assessed as dissociation constant
50022584	1	ChEMBL_2547577	Inhibition of N-terminal FLAG-tagged full-length human MGAT2 expressed in human FreeStyle 293-F cell membrane using 13Cx18oleoyl-CoA and 2-oleoyl-glycerol as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by RapidFire mass spectrometric analysis
50022584	2	ChEMBL_2547580	Inhibition of N-terminal FLAG-tagged full-length mouse MGAT2 expressed in human FreeStyle 293-F cell membrane using 13Cx18oleoyl-CoA and 2-oleoyl-glycerol as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins by RapidFire mass spectrometric analysis
50022584	3	ChEMBL_2547590	Inhibition of N-terminal FLAG-tagged full-length human ACAT1 expressed in recombinant baculovirus infected Sf21 cells using [1-14C]-oleoyl-CoA and cholesterol as substrate incubated for 40 mins by TLC analysis
50022584	4	ChEMBL_2547591	Inhibition of N-terminal FLAG-tagged full-length human DGAT1 expressed in recombinant baculovirus infected Sf21 cells using [1-14C]-oleoyl-CoA and 1,2-dioleoyl-glycerol as substrate incubated for 40 mins by TLC analysis
50022584	5	ChEMBL_2547592	Inhibition of N-terminal FLAG-tagged full-length human DGAT2 expressed in recombinant baculovirus infected Sf21 cells using [1-14C]-oleoyl-CoA and 1,2-dioleoyl-glycerol as substrate incubated for 40 mins by TLC analysis
50022585	1	ChEMBL_2547600	Inhibition of N-terminally GST-tagged human full length recombinant human Mps1 using PWDPDDADITEILG as substrate preincubated for 15 min and in the presence of 10 uM ATP by TRFRET-based in vitro kinase assay
50022585	2	ChEMBL_2547636	Binding affinity to BRSK2 (unknown origin) assessed as dissociation constant
50022585	3	ChEMBL_2547637	Binding affinity to HPK1 (unknown origin) assessed as dissociation constant
50022585	4	ChEMBL_2547638	Binding affinity to JNK1 (unknown origin) assessed as dissociation constant
50022585	5	ChEMBL_2547639	Binding affinity to JNK2 (unknown origin) assessed as dissociation constant
50022585	6	ChEMBL_2547640	Binding affinity to JNK3 (unknown origin) assessed as dissociation constant
50022585	7	ChEMBL_2547641	Binding affinity to KIT (unknown origin) assessed as dissociation constant
50022585	8	ChEMBL_2547642	Binding affinity to MINK (unknown origin) assessed as dissociation constant
50022585	9	ChEMBL_2547643	Binding affinity to MTOR (unknown origin) assessed as dissociation constant
50022585	10	ChEMBL_2547644	Binding affinity to NDR1 (unknown origin) assessed as dissociation constant
50022585	11	ChEMBL_2547645	Binding affinity to PIP5K2C (unknown origin) assessed as dissociation constant
50022585	12	ChEMBL_2547646	Binding affinity to TTK (unknown origin) assessed as dissociation constant
50022585	13	ChEMBL_2547700	Inhibition of Mps1 in human A2780 cells assessed as abolish in KNL-1 phosphorylation at Thr-875 level and pretreated with 100 nmol/L paclitaxel within 30 mins
50022586	1	ChEMBL_2547890	Inhibition of human BTK by ATP-Competition Binding Assay
50022587	1	ChEMBL_2548319	Binding affinity to His-tagged recombinant wildtype human TRKA kinase domain incubated for 60 mins by TR-FRET assay
50022587	2	ChEMBL_2548320	Binding affinity to wildtype TRKB (unknown origin) kinase domain incubated for 60 mins by TR-FRET assay
50022587	3	ChEMBL_2548321	Binding affinity to His-tagged recombinant wildtype human TRKC kinase domain incubated for 60 mins by TR-FRET assay
50022587	4	ChEMBL_2548322	Inhibition of N-terminal 6His-tagged wild type TRKA (486 to 786 residues) (unknown origin) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]-ATP based TopCount NXT liquid scintillation assay
50022587	5	ChEMBL_2548323	Inhibition of N-terminal 6His-tagged TRKA G595R mutant (486 to 786 residues) (unknown origin) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]-ATP based TopCount NXT liquid scintillation assay
50022587	6	ChEMBL_2548324	Inhibition of N-terminal 6His-tagged TRKA G667C mutant (486 to 786 residues) (unknown origin) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]-ATP based TopCount NXT liquid scintillation assay
50022587	7	ChEMBL_2548325	Inhibition of N-terminal 6His-tagged wild type TRKC (506 to 829 residues) (unknown origin) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]-ATP based TopCount NXT liquid scintillation assay
50022587	8	ChEMBL_2548332	Inhibition of wildtype human extracellular domain deleted TRKA expressed in mouse NIH3T3 cells assessed as reduction in TRKA phosphorylation incubated for 1 hrs by ELISA
50022587	9	ChEMBL_2548333	Inhibition of human extracellular domain deleted TRKA G595R mutant expressed in mouse NIH3T3 cells assessed as reduction in TRKA phosphorylation incubated for 1 hrs by ELISA
50022587	10	ChEMBL_2548334	Inhibition of human extracellular domain deleted TRKA G667C mutant expressed in mouse NIH3T3 cells assessed as reduction in TRKA phosphorylation incubated for 1 hrs by ELISA
50022587	11	ChEMBL_2548336	Inhibition of human extracellular domain deleted TRKA F589L mutant expressed in mouse NIH3T3 cells assessed as reduction in TRKA phosphorylation incubated for 1 hrs by ELISA
50022588	1	ChEMBL_2548831	Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed as reduction in KRAS G12C mutant activation preincubated for 10 mins with KRAS followed by SOS1 addition measured after 30 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	2	ChEMBL_2548832	Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed as reduction in wild-type KRAS activation preincubated for 10 mins with KRAS followed by SOS1 addition measured after 30 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	3	ChEMBL_2548833	Inhibition of N-terminal His10-tagged wild-type recombinant human SOS2 catalytic domain (564 to 1043 residues) expressed in Escherichia coli assessed as reduction in KRAS G12C mutant activation preincubated for 10 mins with KRAS followed by SOS2 addition measured after 30 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	4	ChEMBL_2548834	Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli assessed as reduction in intrinsic GTP exchange preincubated for 10 mins with KRAS followed by SOS1 addition measured after 30 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	5	ChEMBL_2548835	Inhibition of N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed as reduction in KRAS G12C mutant activation preincubated for 2 mins with KRAS followed by SOS1 addition measured after 20 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	6	ChEMBL_2548836	Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169 residues) expressed in Escherichia coli/N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli protein-protein interaction preincubated for 2 mins with KRAS followed by SOS1 addition measured after 60 mins in presence of anti-6His-XL665 by HTRF analysis
50022588	7	ChEMBL_2548838	Inhibition of human DBS assessed as reduction in CDC42 activation preincubated for 1 min with CDC42 followed by DBS addition measured after 20 mins in presence of EDA-GTP-DY-647P1 by HTRF analysis
50022588	8	ChEMBL_2548839	Inhibition of human EGFR using biotin-aminohexyl-AEEEEYFELVAKKK as substrate preincubated for 15 mins followed by substrate/ATP addition measured after 20 mins by FRET assay
50022588	9	ChEMBL_2548844	Binding affinity to N-terminal His10-tagged wild-type recombinant human SOS1 catalytic domain (564 to 1049 residues) expressed in Escherichia coli assessed as dissociation constant by ITC analysis
50022588	10	ChEMBL_2549796	Inhibition of SOS1 in human Calu-1 cells assessed as reduction in RAS activation pretreated for 30 mins followed by EGF stimulation for 3 mins by G-LISA analysis
50022588	11	ChEMBL_2549797	Inhibition of SOS1 in human HeLa cells assessed as reduction in RAS activation pretreated for 30 mins followed by EGF stimulation for 3 mins by G-LISA analysis
50022588	12	ChEMBL_2549798	Inhibition of SOS1 in human K562 cells assessed as reduction in pERK level incubated for 60 mins by HTRF analysis
50022588	13	ChEMBL_2549799	Inhibition of SOS1 in human Calu-1 cells assessed as reduction in pERK level incubated for 24 hrs by HTRF analysis
50022588	14	ChEMBL_2549800	Inhibition of SOS1 in human MOLM-13 cells assessed as reduction in pERK level incubated for 60 mins by HTRF analysis
50022589	1	ChEMBL_2559185	Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 15 to 30 mins by fluorescence polarization assay
50022589	2	ChEMBL_2559186	Inhibition of human full-length Flag-tagged mTOR expressed in HEK293 cells using His6-S6K as substrate measured after 2 hrs in presence of ATP by DELFIA
50022589	3	ChEMBL_2559188	Inhibition of recombinant human full-length N-terminal His6-tagged p110alpha/full length untagged human p85alpha expressed in baculovirus infected Sf21 insect cells using PIP2 as substrate measured after 15 to 30 mins by fluorescence polarization assay
50022589	4	ChEMBL_2559189	Inhibition of p110beta/p85alpha (unknown origin) using PIP2 as substrate measured after 15 to 30 mins by fluorescence polarization assay
50022589	5	ChEMBL_2559190	Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 15 to 30 mins by fluorescence polarization assay
50022589	6	ChEMBL_2559191	Inhibition of human SMG1 using glutathione S-transferase-p53 as substrate by DELFIA
50022589	7	ChEMBL_2559192	Inhibition of ATR (unknown origin) using glutathione S-transferase-p53 as substrate by DELFIA
50022590	1	ChEMBL_2559584	Binding affinity to BRD2 (unknown origin) assessed as apparent dissociation constant
50022590	2	ChEMBL_2559585	Binding affinity to BRD3 (unknown origin) assessed as apparent dissociation constant
50022590	3	ChEMBL_2559586	Binding affinity to BRD4 (unknown origin) assessed as apparent dissociation constant
50022590	4	ChEMBL_2559587	Binding affinity to His6-tagged BRD4 (1 to 477 residues) (unknown origin) assessed as apparent dissociation constant at pH 5 to 6.5 by surface plasmon resonance assay
50022590	5	ChEMBL_2559588	Binding affinity to AFF2 (unknown origin) assessed as apparent dissociation constant
50022590	6	ChEMBL_2559589	Binding affinity to AFF4 (unknown origin) assessed as apparent dissociation constant
50022590	7	ChEMBL_2559590	Binding affinity to CCNT1 (unknown origin) assessed as apparent dissociation constant
50022590	8	ChEMBL_2559591	Binding affinity to CDK9 (unknown origin) assessed as apparent dissociation constant
50022590	9	ChEMBL_2559592	Binding affinity to ELL (unknown origin) assessed as apparent dissociation constant
50022590	10	ChEMBL_2559593	Binding affinity to MLLT1 (unknown origin) assessed as apparent dissociation constant
50022590	11	ChEMBL_2559594	Binding affinity to CDC73 (unknown origin) assessed as apparent dissociation constant
50022590	12	ChEMBL_2559595	Binding affinity to LEO1 (unknown origin) assessed as apparent dissociation constant
50022590	13	ChEMBL_2559596	Binding affinity to PAF1 (unknown origin) assessed as apparent dissociation constant
50022590	14	ChEMBL_2559597	Binding affinity to WDR61 (unknown origin) assessed as apparent dissociation constant
50022590	15	ChEMBL_2559655	Inhibition of His6-tagged BRD2 (unknown origin) at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	16	ChEMBL_2559656	Inhibition of His6-tagged BRD3 (unknown origin) at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	17	ChEMBL_2559657	Inhibition of His6-tagged BRD4 (unknown origin) at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	18	ChEMBL_2559658	Binding affinity to His6-tagged BRD3 (1 to 434 residues) (unknown origin) at pH 5 to 6.5 assessed as dissociation constant by surface plasmon resonance assay
50022590	19	ChEMBL_2559746	Inhibition of His6-tagged human BRD4 using biotinylated tetraacetylated Histone H4 peptide as substrate incubated for 1 hr by TR-FRET assay
50022590	20	ChEMBL_2559747	Inhibition of human COX-2 by FLINT assay
50022590	21	ChEMBL_2559753	Inhibition of human MAO B by FLINT assay
50022590	22	ChEMBL_2559754	Inhibition of human PDE4B by luminescence assay
50022590	23	ChEMBL_2559755	Inhibition of human 5-HT transporter by scintillation proximity assay
50022590	24	ChEMBL_2559756	Inhibition of human 5-HT1B in presence of GTPgS
50022590	25	ChEMBL_2559760	Inhibition of human beta2 adrenoceptor using biotinylated tetraacetylated Histone H4 peptide as substrate incubated for 1 hr by TR-FRET assay
50022590	26	ChEMBL_2559761	Inhibition of human dopamine 2 receptor in presence of GTPgS
50022590	27	ChEMBL_2559762	Inhibition of His6-tagged human dopamine 1 receptor using biotinylated tetraacetylated Histone H4 peptide as substrate incubated for 1 hr by TR-FRET assay
50022590	28	ChEMBL_2559768	Inhibition of human OPRK1 in presence of GTPgS
50022590	29	ChEMBL_2559769	Inhibition of human OPRM1 in presence of GTPgS
50022590	30	ChEMBL_2559771	Inhibition of human alpha 1 nAChR by intracellular Ca2+ fluorescence assay
50022590	31	ChEMBL_2559772	Inhibition of human CaV1.2 by intracellular Ca2+ fluorescence assay
50022590	32	ChEMBL_2559775	Inhibition of human KCNQ1/KCNE1 by blocker ionworks assay
50022590	33	ChEMBL_2559776	Inhibition of human Kv1.5 by blocker ionworks assay
50022590	34	ChEMBL_2559777	Inhibition of human NaV1.5 by blocker ionworks assay
50022590	35	ChEMBL_2559778	Inhibition of His6-tagged human Aurora B kinase at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	36	ChEMBL_2559779	Inhibition of His6-tagged human GSK3beta at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	37	ChEMBL_2559780	Inhibition of His6-tagged human LCK at pH 7.4 incubated for 60 mins by Alexa Fluor 488 staining based fluorescence anisotropy analysis
50022590	38	ChEMBL_2559781	Inhibition of His6-tagged human PI3K-gamma using biotinylated tetraacetylated Histone H4 peptide as substrate incubated for 1 hr by TR-FRET assay
50022590	39	ChEMBL_2559782	Inhibition of human DAT by scintillation proximity assay
50022590	40	ChEMBL_2559783	Inhibition of human NET by scintillation proximity assay
50022590	41	ChEMBL_2559784	Inhibition of human OATP1B1 by FLINT imaging analysis
50022590	42	ChEMBL_2563352	Inhibition of WDR5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	43	ChEMBL_2563353	Inhibition of SFRS2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	44	ChEMBL_2563354	Inhibition of DDX41 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	45	ChEMBL_2563355	Inhibition of PRPF8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	46	ChEMBL_2563361	Inhibition of SAP18 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	47	ChEMBL_2563363	Inhibition of HDAC10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	48	ChEMBL_2563364	Inhibition of HDGF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	49	ChEMBL_2563365	Inhibition of BRD3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	50	ChEMBL_2563366	Inhibition of UBTF (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	51	ChEMBL_2563367	Inhibition of TFIP11 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	52	ChEMBL_2563368	Inhibition of CSNK2A1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	53	ChEMBL_2563369	Inhibition of RFC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	54	ChEMBL_2563370	Inhibition of RFC2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	55	ChEMBL_2563373	Inhibition of WDR61 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	56	ChEMBL_2563374	Inhibition of NCBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	57	ChEMBL_2563375	Inhibition of CSNK2A2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	58	ChEMBL_2563380	Inhibition of SF3A3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	59	ChEMBL_2563381	Inhibition of CCNT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	60	ChEMBL_2563382	Inhibition of RFC5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	61	ChEMBL_2563383	Inhibition of RFC3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	62	ChEMBL_2563384	Inhibition of NAF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	63	ChEMBL_2563386	Inhibition of MLLT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	64	ChEMBL_2563387	Inhibition of ATAD5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	65	ChEMBL_2563388	Inhibition of LEO1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	66	ChEMBL_2563389	Inhibition of SIN3A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	67	ChEMBL_2563392	Inhibition of NOLC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	68	ChEMBL_2563393	Inhibition of SUB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	69	ChEMBL_2563394	Inhibition of GSK3A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	70	ChEMBL_2563396	Inhibition of PAF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	71	ChEMBL_2563398	Inhibition of CDC73 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	72	ChEMBL_2563399	Inhibition of KPNA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	73	ChEMBL_2563402	Inhibition of CHERP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	74	ChEMBL_2563403	Inhibition of PRPF40A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	75	ChEMBL_2563404	Inhibition of CHD9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	76	ChEMBL_2563406	Inhibition of DHX15 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	77	ChEMBL_2563407	Inhibition of WDR26 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	78	ChEMBL_2563410	Inhibition of BRD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	79	ChEMBL_2563411	Inhibition of BRD4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	80	ChEMBL_2563412	Inhibition of HIST1H2BA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	81	ChEMBL_2563414	Inhibition of RBBP5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	82	ChEMBL_2563415	Inhibition of CDK9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	83	ChEMBL_2563416	Inhibition of JMJD6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	84	ChEMBL_2563417	Inhibition of CSNK2B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	85	ChEMBL_2563421	Inhibition of SKIV2L2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	86	ChEMBL_2563422	Inhibition of CHD8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	87	ChEMBL_2563423	Inhibition of SRRM2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	88	ChEMBL_2563424	Inhibition of TCOF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	89	ChEMBL_2563425	Inhibition of ZRANB2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	90	ChEMBL_2563427	Inhibition of CAMK2G (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	91	ChEMBL_2563428	Inhibition of C21ORF66 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	92	ChEMBL_2563429	Inhibition of HSPA5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	93	ChEMBL_2563430	Inhibition of SFRS7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	94	ChEMBL_2563431	Inhibition of HSPA8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	95	ChEMBL_2563432	Inhibition of RBM25 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	96	ChEMBL_2563433	Inhibition of SSRP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	97	ChEMBL_2563434	Inhibition of U2AF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	98	ChEMBL_2563435	Inhibition of BCLAF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	99	ChEMBL_2563436	Inhibition of ACIN1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	100	ChEMBL_2563437	Inhibition of HSPA9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	101	ChEMBL_2563438	Inhibition of SFRS6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	102	ChEMBL_2563439	Inhibition of EIF3E (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	103	ChEMBL_2563440	Inhibition of MCM3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	104	ChEMBL_2563442	Inhibition of DDX5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	105	ChEMBL_2563444	Inhibition of RPA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	106	ChEMBL_2563446	Inhibition of ELL (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	107	ChEMBL_2563447	Inhibition of DDX17 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	108	ChEMBL_2563448	Inhibition of DSG1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	109	ChEMBL_2563449	Inhibition of POLR2B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	110	ChEMBL_2563450	Inhibition of U2AF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	111	ChEMBL_2563451	Inhibition of POLR2A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	112	ChEMBL_2563452	Inhibition of NHP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	113	ChEMBL_2563453	Inhibition of SMARCD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	114	ChEMBL_2563454	Inhibition of EIF3M (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	115	ChEMBL_2563455	Inhibition of WDR82 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	116	ChEMBL_2563458	Inhibition of RBM17 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	117	ChEMBL_2563459	Inhibition of CWC22 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	118	ChEMBL_2563460	Inhibition of SETD1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	119	ChEMBL_2563461	Inhibition of CDC2L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	120	ChEMBL_2563463	Inhibition of H2AFZ (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	121	ChEMBL_2563464	Inhibition of SFRS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	122	ChEMBL_2563465	Inhibition of H3F3A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	123	ChEMBL_2563467	Inhibition of XRCC5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	124	ChEMBL_2563468	Inhibition of SF3B2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	125	ChEMBL_2563469	Inhibition of SMARCC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	126	ChEMBL_2563470	Inhibition of NUMA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	127	ChEMBL_2563472	Inhibition of RTF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	128	ChEMBL_2563473	Inhibition of PRPF6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	129	ChEMBL_2563475	Inhibition of ASH2L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	130	ChEMBL_2563476	Inhibition of PRKCD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	131	ChEMBL_2563478	Inhibition of HIST1H4A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	132	ChEMBL_2563480	Inhibition of EIF3L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	133	ChEMBL_2563482	Inhibition of SAP30BP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	134	ChEMBL_2563485	Inhibition of PABPC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	135	ChEMBL_2563486	Inhibition of ARID1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	136	ChEMBL_2563487	Inhibition of HIST2H2BA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	137	ChEMBL_2563488	Inhibition of WHSC1L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	138	ChEMBL_2563489	Inhibition of AOF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	139	ChEMBL_2563490	Inhibition of GTF2F2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	140	ChEMBL_2563491	Inhibition of ZC3H18 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	141	ChEMBL_2563492	Inhibition of RNGTT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	142	ChEMBL_2563493	Inhibition of PRDX1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	143	ChEMBL_2563494	Inhibition of KPNB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	144	ChEMBL_2563495	Inhibition of TAF9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	145	ChEMBL_2563496	Inhibition of MAPK1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	146	ChEMBL_2563497	Inhibition of ACTL6A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	147	ChEMBL_2563498	Inhibition of PES1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	148	ChEMBL_2563499	Inhibition of HNRNPF (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	149	ChEMBL_2563500	Inhibition of UMPS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	150	ChEMBL_2563502	Inhibition of MED12 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	151	ChEMBL_2563503	Inhibition of MKI67 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	152	ChEMBL_2563504	Inhibition of AFF4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	153	ChEMBL_2563506	Inhibition of RARS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	154	ChEMBL_2563507	Inhibition of UTP20 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	155	ChEMBL_2563508	Inhibition of ARPC1B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	156	ChEMBL_2563509	Inhibition of HDAC6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	157	ChEMBL_2563510	Inhibition of OGT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	158	ChEMBL_2563511	Inhibition of PRPF3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	159	ChEMBL_2563512	Inhibition of PFDN2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	160	ChEMBL_2563513	Inhibition of ILKAP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	161	ChEMBL_2563514	Inhibition of PPM1G (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	162	ChEMBL_2563515	Inhibition of PPIG (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	163	ChEMBL_2563517	Inhibition of EIF2B3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	164	ChEMBL_2563518	Inhibition of SLC16A3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	165	ChEMBL_2563519	Inhibition of MARS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	166	ChEMBL_2563520	Inhibition of PPP2CA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	167	ChEMBL_2563521	Inhibition of KHDRBS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	168	ChEMBL_2563522	Inhibition of SSB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	169	ChEMBL_2563523	Inhibition of IQGAP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	170	ChEMBL_2563524	Inhibition of WDR3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	171	ChEMBL_2563525	Inhibition of CORO1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	172	ChEMBL_2563526	Inhibition of MAT2A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	173	ChEMBL_2563527	Inhibition of SFRS3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	174	ChEMBL_2563528	Inhibition of TRIM33 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	175	ChEMBL_2563529	Inhibition of SATB2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	176	ChEMBL_2563530	Inhibition of LCP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	177	ChEMBL_2563531	Inhibition of SFPQ (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	178	ChEMBL_2563533	Inhibition of STK4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	179	ChEMBL_2563534	Inhibition of TUBB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	180	ChEMBL_2563535	Inhibition of AHCY (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	181	ChEMBL_2563536	Inhibition of CFL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	182	ChEMBL_2563537	Inhibition of ZFX (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	183	ChEMBL_2563538	Inhibition of GRB10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	184	ChEMBL_2563539	Inhibition of HNRNPUL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	185	ChEMBL_2563540	Inhibition of ETV6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	186	ChEMBL_2563541	Inhibition of CSK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	187	ChEMBL_2563542	Inhibition of SMAD4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	188	ChEMBL_2563543	Inhibition of RPS7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	189	ChEMBL_2563545	Inhibition of HDAC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	190	ChEMBL_2563546	Inhibition of SMYD5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	191	ChEMBL_2563547	Inhibition of RRM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	192	ChEMBL_2563548	Inhibition of CDK10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	193	ChEMBL_2563551	Inhibition of INTS6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	194	ChEMBL_2563552	Inhibition of PROSC (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	195	ChEMBL_2563553	Inhibition of GFI1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	196	ChEMBL_2563554	Inhibition of MSH2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	197	ChEMBL_2563555	Inhibition of SF3B4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	198	ChEMBL_2563556	Inhibition of HSD17B10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	199	ChEMBL_2563558	Inhibition of MCM5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	200	ChEMBL_2563559	Inhibition of CCT7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	201	ChEMBL_2563562	Inhibition of ITPA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	202	ChEMBL_2563563	Inhibition of VPS35 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	203	ChEMBL_2563564	Inhibition of RBM22 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	204	ChEMBL_2563565	Inhibition of MAP3K7IP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	205	ChEMBL_2563567	Inhibition of AFF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	206	ChEMBL_2563568	Inhibition of AP3B1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	207	ChEMBL_2563569	Inhibition of LMNA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	208	ChEMBL_2563570	Inhibition of CSE1L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	209	ChEMBL_2563571	Inhibition of SYMPK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	210	ChEMBL_2563572	Inhibition of NCKAP1L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	211	ChEMBL_2563573	Inhibition of CHEK1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	212	ChEMBL_2563574	Inhibition of AAAS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	213	ChEMBL_2563575	Inhibition of UGCGL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	214	ChEMBL_2563576	Inhibition of GLTSCR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	215	ChEMBL_2563577	Inhibition of C3ORF37 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	216	ChEMBL_2563578	Inhibition of ENY2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	217	ChEMBL_2563579	Inhibition of SLC16A1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	218	ChEMBL_2563580	Inhibition of CBFB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	219	ChEMBL_2563581	Inhibition of SDCCAG10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	220	ChEMBL_2563582	Inhibition of SMNDC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	221	ChEMBL_2563583	Inhibition of FMNL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	222	ChEMBL_2563584	Inhibition of GART (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	223	ChEMBL_2563585	Inhibition of POLD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	224	ChEMBL_2563586	Inhibition of CPSF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	225	ChEMBL_2563587	Inhibition of RPIA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	226	ChEMBL_2563589	Inhibition of CDC2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	227	ChEMBL_2563590	Inhibition of FASN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	228	ChEMBL_2563591	Inhibition of SUPT16H (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	229	ChEMBL_2563592	Inhibition of IRAK3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	230	ChEMBL_2563593	Inhibition of LYPLA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	231	ChEMBL_2563594	Inhibition of HSP90B1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	232	ChEMBL_2563595	Inhibition of PRDX2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	233	ChEMBL_2563596	Inhibition of PRTN3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	234	ChEMBL_2563597	Inhibition of DHX36 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	235	ChEMBL_2563598	Inhibition of GRWD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	236	ChEMBL_2563599	Inhibition of EIF3A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	237	ChEMBL_2563601	Inhibition of SNRPB2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	238	ChEMBL_2563602	Inhibition of PSMA6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	239	ChEMBL_2563603	Inhibition of TRIM25 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	240	ChEMBL_2563604	Inhibition of TUBGCP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	241	ChEMBL_2563605	Inhibition of DHX35 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	242	ChEMBL_2563607	Inhibition of POLR1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	243	ChEMBL_2563608	Inhibition of WBP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	244	ChEMBL_2563610	Inhibition of MED16 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	245	ChEMBL_2563611	Inhibition of TSSK3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	246	ChEMBL_2563613	Inhibition of SPEN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	247	ChEMBL_2563614	Inhibition of EFHD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	248	ChEMBL_2563615	Inhibition of ZNF828 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	249	ChEMBL_2563616	Inhibition of CCNL2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	250	ChEMBL_2563617	Inhibition of LRWD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	251	ChEMBL_2563618	Inhibition of PCID2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	252	ChEMBL_2563619	Inhibition of GATAD2B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	253	ChEMBL_2563620	Inhibition of PWWP2B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	254	ChEMBL_2563621	Inhibition of THRAP3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	255	ChEMBL_2563622	Inhibition of PSMD11 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	256	ChEMBL_2563623	Inhibition of GNB1L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	257	ChEMBL_2563624	Inhibition of SR140 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	258	ChEMBL_2563625	Inhibition of LRRC40 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	259	ChEMBL_2563626	Inhibition of SNAPC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	260	ChEMBL_2563628	Inhibition of MDN1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	261	ChEMBL_2563629	Inhibition of SLFN11 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	262	ChEMBL_2563630	Inhibition of MUTED (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	263	ChEMBL_2563631	Inhibition of COPS4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	264	ChEMBL_2563632	Inhibition of PDE12 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	265	ChEMBL_2563633	Inhibition of KIF4A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	266	ChEMBL_2563634	Inhibition of PPP1R12A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	267	ChEMBL_2563636	Inhibition of PTBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	268	ChEMBL_2563637	Inhibition of EEF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	269	ChEMBL_2563638	Inhibition of RPS19 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	270	ChEMBL_2563639	Inhibition of SRP72 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	271	ChEMBL_2563640	Inhibition of G6PD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	272	ChEMBL_2563642	Inhibition of HNRNPK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	273	ChEMBL_2563644	Inhibition of HIRA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	274	ChEMBL_2563645	Inhibition of TPM3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	275	ChEMBL_2563646	Inhibition of SON (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	276	ChEMBL_2563647	Inhibition of ANXA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	277	ChEMBL_2563648	Inhibition of HMGB2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	278	ChEMBL_2563649	Inhibition of NQO2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	279	ChEMBL_2563650	Inhibition of RPL22 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	280	ChEMBL_2563651	Inhibition of LGALS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	281	ChEMBL_2563652	Inhibition of SMC3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	282	ChEMBL_2563653	Inhibition of PFN2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	283	ChEMBL_2563654	Inhibition of MYB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	284	ChEMBL_2563656	Inhibition of GNAI3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	285	ChEMBL_2563657	Inhibition of RPS13 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	286	ChEMBL_2563658	Inhibition of RPS15A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	287	ChEMBL_2563659	Inhibition of UBR7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	288	ChEMBL_2563660	Inhibition of MPO (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	289	ChEMBL_2563661	Inhibition of PDCD6IP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	290	ChEMBL_2563662	Inhibition of POLR1E (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	291	ChEMBL_2563664	Inhibition of CTPS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	292	ChEMBL_2563665	Inhibition of SNRNP70 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	293	ChEMBL_2563666	Inhibition of ADK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	294	ChEMBL_2563668	Inhibition of INTS9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	295	ChEMBL_2563669	Inhibition of TAF1B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	296	ChEMBL_2563670	Inhibition of SLC25A6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	297	ChEMBL_2563671	Inhibition of GEMIN5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	298	ChEMBL_2563672	Inhibition of SMC1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	299	ChEMBL_2563673	Inhibition of PRPF31 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	300	ChEMBL_2563674	Inhibition of SRM (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	301	ChEMBL_2563675	Inhibition of MTMR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	302	ChEMBL_2563677	Inhibition of RIF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	303	ChEMBL_2563678	Inhibition of GPX1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	304	ChEMBL_2563679	Inhibition of AIM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	305	ChEMBL_2563680	Inhibition of CGGBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	306	ChEMBL_2563681	Inhibition of COPB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	307	ChEMBL_2563682	Inhibition of LUZP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	308	ChEMBL_2563683	Inhibition of SNRPA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	309	ChEMBL_2563684	Inhibition of LYN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	310	ChEMBL_2563685	Inhibition of PPP1R10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	311	ChEMBL_2563686	Inhibition of TAF5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	312	ChEMBL_2563687	Inhibition of TMEM33 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	313	ChEMBL_2563688	Inhibition of PSMA4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	314	ChEMBL_2563689	Inhibition of EIF5B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	315	ChEMBL_2563690	Inhibition of FARSB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	316	ChEMBL_2563691	Inhibition of TGM3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	317	ChEMBL_2563692	Inhibition of CAD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	318	ChEMBL_2563693	Inhibition of USP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	319	ChEMBL_2563694	Inhibition of HSPA1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	320	ChEMBL_2563695	Inhibition of NSUN2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	321	ChEMBL_2563696	Inhibition of SETD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	322	ChEMBL_2563697	Inhibition of INPP5D (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	323	ChEMBL_2563698	Inhibition of HSD17B11 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	324	ChEMBL_2563700	Inhibition of TDG (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	325	ChEMBL_2563701	Inhibition of FLNA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	326	ChEMBL_2563702	Inhibition of RFC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	327	ChEMBL_2563703	Inhibition of INTS8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	328	ChEMBL_2563704	Inhibition of CHMP1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	329	ChEMBL_2563705	Inhibition of HSP90AA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	330	ChEMBL_2563706	Inhibition of PBRM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	331	ChEMBL_2563707	Inhibition of MSH6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	332	ChEMBL_2563708	Inhibition of RPRD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	333	ChEMBL_2563709	Inhibition of ACLY (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	334	ChEMBL_2563710	Inhibition of FIP1L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	335	ChEMBL_2563711	Inhibition of MAP4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	336	ChEMBL_2563712	Inhibition of AFF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	337	ChEMBL_2563714	Inhibition of FLG2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	338	ChEMBL_2563715	Inhibition of NUP93 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	339	ChEMBL_2563716	Inhibition of ANKRD52 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	340	ChEMBL_2563717	Inhibition of DACH1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	341	ChEMBL_2563718	Inhibition of EIF4A2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	342	ChEMBL_2563719	Inhibition of PPP1CA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	343	ChEMBL_2563720	Inhibition of SMC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	344	ChEMBL_2563721	Inhibition of WAPAL (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	345	ChEMBL_2563722	Inhibition of GTF3C1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	346	ChEMBL_2563723	Inhibition of ZMYND8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	347	ChEMBL_2563725	Inhibition of TRIM27 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	348	ChEMBL_2563726	Inhibition of PARP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	349	ChEMBL_2563727	Inhibition of CHD4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	350	ChEMBL_2563728	Inhibition of DYNC1H1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	351	ChEMBL_2563729	Inhibition of GPATCH8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	352	ChEMBL_2563730	Inhibition of KIAA0415 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	353	ChEMBL_2563731	Inhibition of SP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	354	ChEMBL_2563732	Inhibition of ENO1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	355	ChEMBL_2563733	Inhibition of CDCA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	356	ChEMBL_2563735	Inhibition of SHPRH (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	357	ChEMBL_2563736	Inhibition of RPS3A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	358	ChEMBL_2563737	Inhibition of ARHGEF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	359	ChEMBL_2563738	Inhibition of LSM14A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	360	ChEMBL_2563739	Inhibition of RPS10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	361	ChEMBL_2563740	Inhibition of ARGLU1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	362	ChEMBL_2563742	Inhibition of PKM2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	363	ChEMBL_2563745	Inhibition of SMARCA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	364	ChEMBL_2563746	Inhibition of UBAP2L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	365	ChEMBL_2563747	Inhibition of RAD50 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	366	ChEMBL_2563748	Inhibition of NUDC (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	367	ChEMBL_2563750	Inhibition of MDC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	368	ChEMBL_2563752	Inhibition of PPP2R1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	369	ChEMBL_2563754	Inhibition of SFRS10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	370	ChEMBL_2563755	Inhibition of MRCL3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	371	ChEMBL_2563756	Inhibition of PUS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	372	ChEMBL_2563757	Inhibition of RPS29 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	373	ChEMBL_2563758	Inhibition of TPP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	374	ChEMBL_2563760	Inhibition of HCFC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	375	ChEMBL_2563761	Inhibition of LAS1L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	376	ChEMBL_2563762	Inhibition of GSPT2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	377	ChEMBL_2563763	Inhibition of SRP09 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	378	ChEMBL_2563764	Inhibition of EEF1D (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	379	ChEMBL_2563765	Inhibition of BCAP31 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	380	ChEMBL_2563766	Inhibition of TKT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	381	ChEMBL_2563767	Inhibition of HNRNPU (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	382	ChEMBL_2563768	Inhibition of RHOXF2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	383	ChEMBL_2563769	Inhibition of MCTS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	384	ChEMBL_2563770	Inhibition of EIF3C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	385	ChEMBL_2563772	Inhibition of WDR48 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	386	ChEMBL_2563774	Inhibition of TPR (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	387	ChEMBL_2563775	Inhibition of HDAC8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	388	ChEMBL_2563776	Inhibition of KPNA6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	389	ChEMBL_2563777	Inhibition of NCAPD3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	390	ChEMBL_2563778	Inhibition of DUT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	391	ChEMBL_2563779	Inhibition of BRD9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	392	ChEMBL_2563780	Inhibition of GARS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	393	ChEMBL_2563781	Inhibition of NUP205 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	394	ChEMBL_2563782	Inhibition of STAT3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	395	ChEMBL_2563783	Inhibition of PNN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	396	ChEMBL_2563784	Inhibition of MATR3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	397	ChEMBL_2563785	Inhibition of ZNF207 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	398	ChEMBL_2563786	Inhibition of IPO5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	399	ChEMBL_2563787	Inhibition of MTHFD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	400	ChEMBL_2563788	Inhibition of ALDOA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	401	ChEMBL_2563789	Inhibition of PCBP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	402	ChEMBL_2563790	Inhibition of UHRF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	403	ChEMBL_2563791	Inhibition of WDR6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	404	ChEMBL_2563792	Inhibition of CAMK2D (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	405	ChEMBL_2563793	Inhibition of MED1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	406	ChEMBL_2563794	Inhibition of ZNF618 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	407	ChEMBL_2563795	Inhibition of MAP7D3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	408	ChEMBL_2563796	Inhibition of HNRNPL (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	409	ChEMBL_2563797	Inhibition of KIF2A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	410	ChEMBL_2563798	Inhibition of PRR12 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	411	ChEMBL_2563799	Inhibition of INO80C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	412	ChEMBL_2563800	Inhibition of SPTAN1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	413	ChEMBL_2563801	Inhibition of DEK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	414	ChEMBL_2563802	Inhibition of RUNX1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	415	ChEMBL_2563803	Inhibition of SPTBN1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	416	ChEMBL_2563805	Inhibition of SEC11A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	417	ChEMBL_2563806	Inhibition of HPRT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	418	ChEMBL_2563807	Inhibition of ABCF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	419	ChEMBL_2563808	Inhibition of DKC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	420	ChEMBL_2563809	Inhibition of PML-RAR (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	421	ChEMBL_2563810	Inhibition of LIMA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	422	ChEMBL_2563811	Inhibition of HBB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	423	ChEMBL_2563812	Inhibition of GPX4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	424	ChEMBL_2563814	Inhibition of NCDN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	425	ChEMBL_2563815	Inhibition of SMCHD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	426	ChEMBL_2563816	Inhibition of VARS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	427	ChEMBL_2563817	Inhibition of SMARCA4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	428	ChEMBL_2563818	Inhibition of COASY (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	429	ChEMBL_2563819	Inhibition of CDC45L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	430	ChEMBL_2563820	Inhibition of AP1M1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	431	ChEMBL_2563822	Inhibition of SNW1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	432	ChEMBL_2563823	Inhibition of Ataxin-10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	433	ChEMBL_2563824	Inhibition of DAXX (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	434	ChEMBL_2563825	Inhibition of BAG2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	435	ChEMBL_2563826	Inhibition of EEF1G (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	436	ChEMBL_2563827	Inhibition of MYD88 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	437	ChEMBL_2563828	Inhibition of GCN1L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	438	ChEMBL_2563829	Inhibition of C16ORF80 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	439	ChEMBL_2563830	Inhibition of KPNA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	440	ChEMBL_2563831	Inhibition of EEF1E1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	441	ChEMBL_2563832	Inhibition of UBE2N (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	442	ChEMBL_2563833	Inhibition of FRG1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	443	ChEMBL_2563834	Inhibition of CXORF56 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	444	ChEMBL_2563835	Inhibition of POLR1C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	445	ChEMBL_2563836	Inhibition of PHF5A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	446	ChEMBL_2563837	Inhibition of SURF4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	447	ChEMBL_2563838	Inhibition of CAPZA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	448	ChEMBL_2563839	Inhibition of NFRKB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	449	ChEMBL_2563840	Inhibition of COIL (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	450	ChEMBL_2563841	Inhibition of TOX4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	451	ChEMBL_2563842	Inhibition of ZBED4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	452	ChEMBL_2563843	Inhibition of ALDH2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	453	ChEMBL_2563844	Inhibition of LUC7L2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	454	ChEMBL_2563845	Inhibition of S100A8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	455	ChEMBL_2563846	Inhibition of SLC25A5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	456	ChEMBL_2563847	Inhibition of ANP32B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	457	ChEMBL_2563848	Inhibition of HSD17B12 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	458	ChEMBL_2563849	Inhibition of TUBA4A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	459	ChEMBL_2563850	Inhibition of TUBB2C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	460	ChEMBL_2563851	Inhibition of CPSF3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	461	ChEMBL_2563852	Inhibition of INO80 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	462	ChEMBL_2563853	Inhibition of YEATS4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	463	ChEMBL_2563854	Inhibition of CPSF4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	464	ChEMBL_2563855	Inhibition of EWSR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	465	ChEMBL_2563856	Inhibition of CTBP2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	466	ChEMBL_2563857	Inhibition of SERPINB10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	467	ChEMBL_2563858	Inhibition of AIP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	468	ChEMBL_2563859	Inhibition of CTSD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	469	ChEMBL_2563860	Inhibition of CD59 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	470	ChEMBL_2563861	Inhibition of CHAF1B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	471	ChEMBL_2563862	Inhibition of EIF2B5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	472	ChEMBL_2563863	Inhibition of PRDX4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	473	ChEMBL_2563864	Inhibition of XTP3TPA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	474	ChEMBL_2563865	Inhibition of MTA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	475	ChEMBL_2563866	Inhibition of ACTN4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	476	ChEMBL_2563867	Inhibition of CASP14 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	477	ChEMBL_2563868	Inhibition of ORC5L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	478	ChEMBL_2563869	Inhibition of C1ORF128 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	479	ChEMBL_2563870	Inhibition of PCBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	480	ChEMBL_2563871	Inhibition of GTF3C4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	481	ChEMBL_2563872	Inhibition of GSR (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	482	ChEMBL_2563873	Inhibition of GTF2F1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	483	ChEMBL_2563874	Inhibition of PEF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	484	ChEMBL_2563875	Inhibition of DYNLL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	485	ChEMBL_2563876	Inhibition of MYH9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	486	ChEMBL_2563877	Inhibition of RPS6KA3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	487	ChEMBL_2563878	Inhibition of AMMECR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	488	ChEMBL_2563879	Inhibition of PML (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	489	ChEMBL_2563880	Inhibition of ACTC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	490	ChEMBL_2563881	Inhibition of CDK5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	491	ChEMBL_2563882	Inhibition of HEATR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	492	ChEMBL_2563883	Inhibition of TNPO1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	493	ChEMBL_2563884	Inhibition of RAD18 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	494	ChEMBL_2563885	Inhibition of ACTR8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	495	ChEMBL_2563886	Inhibition of RPN1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	496	ChEMBL_2563887	Inhibition of PHB2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	497	ChEMBL_2563888	Inhibition of FLOT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	498	ChEMBL_2563889	Inhibition of CARS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	499	ChEMBL_2563890	Inhibition of S100A9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	500	ChEMBL_2563891	Inhibition of RPN2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	501	ChEMBL_2563892	Inhibition of LIG3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	502	ChEMBL_2563893	Inhibition of ERH (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	503	ChEMBL_2563894	Inhibition of EXOSC9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	504	ChEMBL_2563895	Inhibition of PGLS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	505	ChEMBL_2563896	Inhibition of RBPJ (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	506	ChEMBL_2563897	Inhibition of GMDS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	507	ChEMBL_2563898	Inhibition of NFATC3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	508	ChEMBL_2563899	Inhibition of DNMT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	509	ChEMBL_2563900	Inhibition of PDCD2L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	510	ChEMBL_2563901	Inhibition of NUDT16L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	511	ChEMBL_2563902	Inhibition of NOC4L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	512	ChEMBL_2563903	Inhibition of Mitsugumin 23 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	513	ChEMBL_2563904	Inhibition of FARSA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	514	ChEMBL_2563905	Inhibition of SERPINB8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	515	ChEMBL_2563906	Inhibition of SF3B14 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	516	ChEMBL_2563907	Inhibition of TUBGCP3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	517	ChEMBL_2563908	Inhibition of NACC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	518	ChEMBL_2563909	Inhibition of GTF2I (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	519	ChEMBL_2563910	Inhibition of UCK2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	520	ChEMBL_2563911	Inhibition of SET (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	521	ChEMBL_2563912	Inhibition of FN3KRP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	522	ChEMBL_2563913	Inhibition of HSPBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	523	ChEMBL_2563914	Inhibition of TPX2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	524	ChEMBL_2563915	Inhibition of HNRPLL (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	525	ChEMBL_2563916	Inhibition of PSPC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	526	ChEMBL_2563917	Inhibition of KEAP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	527	ChEMBL_2563918	Inhibition of WDR33 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	528	ChEMBL_2563919	Inhibition of PELO (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	529	ChEMBL_2563920	Inhibition of CXORF26 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	530	ChEMBL_2563921	Inhibition of PRPF4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	531	ChEMBL_2563922	Inhibition of RBM39 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	532	ChEMBL_2563923	Inhibition of SETD1B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	533	ChEMBL_2563924	Inhibition of SFRS18 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	534	ChEMBL_2563925	Inhibition of PIAS4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	535	ChEMBL_2563926	Inhibition of CYTSA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	536	ChEMBL_2563927	Inhibition of RPS27A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	537	ChEMBL_2563928	Inhibition of HMGA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	538	ChEMBL_2563929	Inhibition of TUBA1A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	539	ChEMBL_2563930	Inhibition of KIAA1967 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	540	ChEMBL_2563931	Inhibition of DDX3X (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	541	ChEMBL_2563932	Inhibition of TMPO (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	542	ChEMBL_2563933	Inhibition of MINA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	543	ChEMBL_2563934	Inhibition of RPS4X (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	544	ChEMBL_2563935	Inhibition of HIST1H1C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	545	ChEMBL_2563936	Inhibition of PM20D2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	546	ChEMBL_2563937	Inhibition of LENG8 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	547	ChEMBL_2563938	Inhibition of LMNB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	548	ChEMBL_2563939	Inhibition of WHSC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	549	ChEMBL_2563940	Inhibition of SEC61A1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	550	ChEMBL_2563941	Inhibition of CAPZB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	551	ChEMBL_2563942	Inhibition of MAP2K3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	552	ChEMBL_2563943	Inhibition of C20ORF43 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	553	ChEMBL_2563944	Inhibition of LDHB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	554	ChEMBL_2563945	Inhibition of ARL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	555	ChEMBL_2563946	Inhibition of ELMO1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	556	ChEMBL_2563947	Inhibition of PRDX6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	557	ChEMBL_2563948	Inhibition of MCRS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	558	ChEMBL_2563949	Inhibition of YWHAG (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	559	ChEMBL_2563950	Inhibition of RPS16 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	560	ChEMBL_2563951	Inhibition of NRD1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	561	ChEMBL_2563952	Inhibition of TCERG1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	562	ChEMBL_2563953	Inhibition of HDAC2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	563	ChEMBL_2563954	Inhibition of TCP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	564	ChEMBL_2563955	Inhibition of NUP210 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	565	ChEMBL_2563956	Inhibition of ACTR5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	566	ChEMBL_2563957	Inhibition of DNAJC10 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	567	ChEMBL_2563959	Inhibition of SRP14 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	568	ChEMBL_2563960	Inhibition of IWS1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	569	ChEMBL_2563961	Inhibition of CBX3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	570	ChEMBL_2563962	Inhibition of CCT2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	571	ChEMBL_2563963	Inhibition of DJ-1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	572	ChEMBL_2563964	Inhibition of AURKA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	573	ChEMBL_2563965	Inhibition of XPO1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	574	ChEMBL_2563966	Inhibition of KPNA3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	575	ChEMBL_2563967	Inhibition of SSR1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	576	ChEMBL_2563968	Inhibition of ZC3HC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	577	ChEMBL_2563969	Inhibition of BOLA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	578	ChEMBL_2563970	Inhibition of CCT4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	579	ChEMBL_2563971	Inhibition of SMARCB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	580	ChEMBL_2563972	Inhibition of MAPK9 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	581	ChEMBL_2563973	Inhibition of ISOC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	582	ChEMBL_2563974	Inhibition of RBMX (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	583	ChEMBL_2563975	Inhibition of HIRIP3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	584	ChEMBL_2563976	Inhibition of DENR (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	585	ChEMBL_2563977	Inhibition of XPOT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	586	ChEMBL_2563978	Inhibition of SRRM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	587	ChEMBL_2563979	Inhibition of THOC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	588	ChEMBL_2563980	Inhibition of UBE2L6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	589	ChEMBL_2563981	Inhibition of DNAJC7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	590	ChEMBL_2563982	Inhibition of NASP (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	591	ChEMBL_2563983	Inhibition of BCAT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	592	ChEMBL_2563984	Inhibition of PSME2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	593	ChEMBL_2563985	Inhibition of SF1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	594	ChEMBL_2563986	Inhibition of DSC1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	595	ChEMBL_2563987	Inhibition of LRRC59 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	596	ChEMBL_2563988	Inhibition of IPO4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	597	ChEMBL_2563989	Inhibition of HRNR (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	598	ChEMBL_2563990	Inhibition of ARG1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	599	ChEMBL_2563991	Inhibition of RNMT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	600	ChEMBL_2563992	Inhibition of RPSA (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	601	ChEMBL_2563993	Inhibition of HSP90AB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	602	ChEMBL_2563994	Inhibition of ANXA2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	603	ChEMBL_2563995	Inhibition of HMGB1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	604	ChEMBL_2563996	Inhibition of MYO1G (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	605	ChEMBL_2563997	Inhibition of CDC7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	606	ChEMBL_2563998	Inhibition of GNAI2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	607	ChEMBL_2563999	Inhibition of CAT (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	608	ChEMBL_2564000	Inhibition of DSTN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	609	ChEMBL_2564001	Inhibition of RPS6KA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	610	ChEMBL_2564002	Inhibition of GATAD2A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	611	ChEMBL_2564003	Inhibition of RPP30 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	612	ChEMBL_2564004	Inhibition of C10ORF119 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	613	ChEMBL_2564005	Inhibition of HNRNPH1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	614	ChEMBL_2564006	Inhibition of MSRB3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	615	ChEMBL_2564007	Inhibition of NPM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	616	ChEMBL_2564008	Inhibition of TOE1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	617	ChEMBL_2564009	Inhibition of NME1/NME2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	618	ChEMBL_2564010	Inhibition of CARM1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	619	ChEMBL_2564011	Inhibition of FUBP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	620	ChEMBL_2564012	Inhibition of UCHL5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	621	ChEMBL_2564013	Inhibition of PPIL4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	622	ChEMBL_2564014	Inhibition of SERPINB12 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	623	ChEMBL_2564015	Inhibition of GPSN2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	624	ChEMBL_2564016	Inhibition of UBA1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	625	ChEMBL_2564017	Inhibition of RBBP7 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	626	ChEMBL_2564018	Inhibition of SAPS3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	627	ChEMBL_2564019	Inhibition of KIF18B (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	628	ChEMBL_2564020	Inhibition of EXOSC4 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	629	ChEMBL_2564021	Inhibition of PSME1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	630	ChEMBL_2564022	Inhibition of COPG (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	631	ChEMBL_2564023	Inhibition of MSL1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	632	ChEMBL_2564024	Inhibition of GAPDH (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	633	ChEMBL_2564025	Inhibition of TK1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	634	ChEMBL_2564026	Inhibition of RAN (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	635	ChEMBL_2564027	Inhibition of SUDS3 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	636	ChEMBL_2564028	Inhibition of FAM44A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	637	ChEMBL_2564029	Inhibition of PCMT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	638	ChEMBL_2564030	Inhibition of ARHGEF6 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	639	ChEMBL_2564031	Inhibition of HELLS (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	640	ChEMBL_2564032	Inhibition of DCD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	641	ChEMBL_2564033	Inhibition of SMARCD2 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	642	ChEMBL_2564034	Inhibition of PDS5A (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	643	ChEMBL_2564035	Inhibition of PPP1CB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	644	ChEMBL_2564036	Inhibition of ERO1L (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	645	ChEMBL_2564037	Inhibition of APOBEC3C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	646	ChEMBL_2564038	Inhibition of IK (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	647	ChEMBL_2564040	Inhibition of PPP6C (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	648	ChEMBL_2564041	Inhibition of NHP2L1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	649	ChEMBL_2564042	Inhibition of ACTB (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	650	ChEMBL_2564043	Inhibition of HIST1H2AD (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	651	ChEMBL_2564044	Inhibition of USP24 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	652	ChEMBL_2564045	Inhibition of CYFIP1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	653	ChEMBL_2564046	Inhibition of GSPT1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	654	ChEMBL_2564047	Inhibition of NSUN5 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	655	ChEMBL_2564048	Inhibition of FLJ12529 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	656	ChEMBL_2564049	Inhibition of BZW1 (unknown origin) incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	657	ChEMBL_2564050	Binding affinity against EFTUD2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	658	ChEMBL_2564051	Binding affinity against WDR5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	659	ChEMBL_2564052	Binding affinity against SFRS2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	660	ChEMBL_2564053	Binding affinity against DDX41 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	661	ChEMBL_2564054	Binding affinity against PRPF8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	662	ChEMBL_2564055	Binding affinity against RPS5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	663	ChEMBL_2564058	Binding affinity against SAP18 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	664	ChEMBL_2564059	Binding affinity against HDGF2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	665	ChEMBL_2564060	Binding affinity against BRD3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	666	ChEMBL_2564061	Binding affinity against UBTF (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	667	ChEMBL_2564062	Binding affinity against TFIP11 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	668	ChEMBL_2564063	Binding affinity against CSNK2A1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	669	ChEMBL_2564064	Binding affinity against RFC4 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	670	ChEMBL_2564065	Binding affinity against RFC2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	671	ChEMBL_2564066	Binding affinity against WDR61 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	672	ChEMBL_2564067	Binding affinity against NCBP1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	673	ChEMBL_2564068	Binding affinity against CSNK2A2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	674	ChEMBL_2564069	Binding affinity against RUVBL1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	675	ChEMBL_2564070	Binding affinity against PCNA (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	676	ChEMBL_2564071	Binding affinity against SF3B1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	677	ChEMBL_2564072	Binding affinity against CCNT1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	678	ChEMBL_2564073	Binding affinity against RFC5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	679	ChEMBL_2564074	Binding affinity against RFC3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	680	ChEMBL_2564075	Binding affinity against NAF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	681	ChEMBL_2564076	Binding affinity against MLLT1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	682	ChEMBL_2564077	Binding affinity against ATAD5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	683	ChEMBL_2564078	Binding affinity against LEO1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	684	ChEMBL_2564079	Binding affinity against SIN3A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	685	ChEMBL_2564080	Binding affinity against NOLC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	686	ChEMBL_2564081	Binding affinity against SUB1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	687	ChEMBL_2564082	Binding affinity against PAF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	688	ChEMBL_2564083	Binding affinity against SF3B3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	689	ChEMBL_2564084	Binding affinity against CDC73 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	690	ChEMBL_2564085	Binding affinity against KPNA1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	691	ChEMBL_2564086	Binding affinity against CHERP (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	692	ChEMBL_2564087	Binding affinity against PRPF40A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	693	ChEMBL_2564088	Binding affinity against CHD9 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	694	ChEMBL_2564089	Binding affinity against DHX15 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	695	ChEMBL_2564090	Binding affinity against SNRNP200 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	696	ChEMBL_2564091	Binding affinity against BRD2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	697	ChEMBL_2564092	Binding affinity against BRD4 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	698	ChEMBL_2564093	Binding affinity against RBBP5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	699	ChEMBL_2564094	Binding affinity against CDK9 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	700	ChEMBL_2564095	Binding affinity against JMJD6 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	701	ChEMBL_2564096	Binding affinity against CSNK2B (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	702	ChEMBL_2564097	Binding affinity against SKIV2L2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	703	ChEMBL_2564098	Binding affinity against CHD8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	704	ChEMBL_2564099	Binding affinity against SRRM2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	705	ChEMBL_2564100	Binding affinity against TCOF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	706	ChEMBL_2564101	Binding affinity against ZRANB2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	707	ChEMBL_2564102	Binding affinity against C21ORF66 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	708	ChEMBL_2564103	Binding affinity against HSPA5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	709	ChEMBL_2564104	Binding affinity against HSPA8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	710	ChEMBL_2564105	Binding affinity against RBM25 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	711	ChEMBL_2564106	Binding affinity against SSRP1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	712	ChEMBL_2564107	Binding affinity against U2AF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	713	ChEMBL_2564108	Binding affinity against BCLAF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	714	ChEMBL_2564109	Binding affinity against ACIN1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	715	ChEMBL_2564110	Binding affinity against HSPA9 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	716	ChEMBL_2564111	Binding affinity against DDX5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	717	ChEMBL_2564112	Binding affinity against SNRPD2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	718	ChEMBL_2564113	Binding affinity against DOCK2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	719	ChEMBL_2564114	Binding affinity against ELL (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	720	ChEMBL_2564115	Binding affinity against DDX17 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	721	ChEMBL_2564116	Binding affinity against DSG1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	722	ChEMBL_2564117	Binding affinity against POLR2B (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	723	ChEMBL_2564118	Binding affinity against U2AF2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	724	ChEMBL_2564119	Binding affinity against POLR2A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	725	ChEMBL_2564120	Binding affinity against NHP2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	726	ChEMBL_2564121	Binding affinity against SMARCD1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	727	ChEMBL_2564122	Binding affinity against WDR82 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	728	ChEMBL_2564123	Binding affinity against CWC22 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	729	ChEMBL_2564124	Binding affinity against SETD1A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	730	ChEMBL_2564125	Binding affinity against CDC2L1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	731	ChEMBL_2564126	Binding affinity against SFRS1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	732	ChEMBL_2564127	Binding affinity against PSME3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	733	ChEMBL_2564128	Binding affinity against SF3B2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	734	ChEMBL_2564129	Binding affinity against SMARCC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	735	ChEMBL_2564130	Binding affinity against NUMA1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	736	ChEMBL_2564131	Binding affinity against RTF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	737	ChEMBL_2564132	Binding affinity against PRPF6 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	738	ChEMBL_2564133	Binding affinity against ASH2L (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	739	ChEMBL_2564134	Binding affinity against RCC2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	740	ChEMBL_2564135	Binding affinity against EIF3L (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	741	ChEMBL_2564136	Binding affinity against CTR9 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	742	ChEMBL_2564137	Binding affinity against SAP30BP (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	743	ChEMBL_2564138	Binding affinity against WHSC1L1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	744	ChEMBL_2564139	Binding affinity against ZC3H18 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	745	ChEMBL_2564141	Binding affinity against USP7 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	746	ChEMBL_2564142	Binding affinity against AFF4 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	747	ChEMBL_2564143	Binding affinity against OGT (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	748	ChEMBL_2564144	Binding affinity against PPIG (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	749	ChEMBL_2564145	Binding affinity against TRIM33 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	750	ChEMBL_2564146	Binding affinity against TUBB (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	751	ChEMBL_2564147	Binding affinity against PRMT1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	752	ChEMBL_2564148	Binding affinity against AFF2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	753	ChEMBL_2564149	Binding affinity against AP3B1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	754	ChEMBL_2564150	Binding affinity against LMNA (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	755	ChEMBL_2564151	Binding affinity against GLTSCR1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	756	ChEMBL_2564152	Binding affinity against ENY2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	757	ChEMBL_2564153	Binding affinity against SDCCAG10 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	758	ChEMBL_2564154	Binding affinity against NUP155 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	759	ChEMBL_2564155	Binding affinity against DHX35 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	760	ChEMBL_2564156	Binding affinity against CCNL2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	761	ChEMBL_2564157	Binding affinity against PCID2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	762	ChEMBL_2564158	Binding affinity against PWWP2B (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	763	ChEMBL_2564159	Binding affinity against THRAP3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	764	ChEMBL_2564160	Binding affinity against SR140 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	765	ChEMBL_2564161	Binding affinity against MDN1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	766	ChEMBL_2564162	Binding affinity against RPS19 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	767	ChEMBL_2564163	Binding affinity against SON (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	768	ChEMBL_2564164	Binding affinity against DDX1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	769	ChEMBL_2564165	Binding affinity against USP1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	770	ChEMBL_2564166	Binding affinity against HSPA1A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	771	ChEMBL_2564167	Binding affinity against SETD2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	772	ChEMBL_2564168	Binding affinity against INPP5D (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	773	ChEMBL_2564169	Binding affinity against RFC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	774	ChEMBL_2564170	Binding affinity against HSP90AA1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	775	ChEMBL_2564171	Binding affinity against PBRM1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	776	ChEMBL_2564172	Binding affinity against MSH6 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	777	ChEMBL_2564173	Binding affinity against AFF1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	778	ChEMBL_2564174	Binding affinity against DACH1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	779	ChEMBL_2564175	Binding affinity against ZMYND8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	780	ChEMBL_2564176	Binding affinity against GPATCH8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	781	ChEMBL_2564177	Binding affinity against ARHGEF2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	782	ChEMBL_2564178	Binding affinity against LSM14A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	783	ChEMBL_2564179	Binding affinity against RPS10 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	784	ChEMBL_2564180	Binding affinity against HCFC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	785	ChEMBL_2564181	Binding affinity against WDR48 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	786	ChEMBL_2564182	Binding affinity against BRD9 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	787	ChEMBL_2564183	Binding affinity against PNN (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	788	ChEMBL_2564184	Binding affinity against MED1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	789	ChEMBL_2564185	Binding affinity against DKC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	790	ChEMBL_2564186	Binding affinity against SMCHD1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	791	ChEMBL_2564187	Binding affinity against SMARCA4 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	792	ChEMBL_2564188	Binding affinity against BAG2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	793	ChEMBL_2564189	Binding affinity against C16ORF80 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	794	ChEMBL_2564190	Binding affinity against KPNA2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	795	ChEMBL_2564191	Binding affinity against NFRKB (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	796	ChEMBL_2564192	Binding affinity against COIL (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	797	ChEMBL_2564193	Binding affinity against TUBA4A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	798	ChEMBL_2564194	Binding affinity against TUBB2C (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	799	ChEMBL_2564195	Binding affinity against INO80 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	800	ChEMBL_2564196	Binding affinity against GTF2F1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	801	ChEMBL_2564197	Binding affinity against ACTR8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	802	ChEMBL_2564198	Binding affinity against ERH (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	803	ChEMBL_2564199	Binding affinity against GTF2I (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	804	ChEMBL_2564200	Binding affinity against HSPBP1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	805	ChEMBL_2564201	Binding affinity against RBM39 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	806	ChEMBL_2564202	Binding affinity against SETD1B (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	807	ChEMBL_2564203	Binding affinity against SFRS18 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	808	ChEMBL_2564204	Binding affinity against TUBA1A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	809	ChEMBL_2564205	Binding affinity against LENG8 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	810	ChEMBL_2564206	Binding affinity against WHSC1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	811	ChEMBL_2564207	Binding affinity against ACTR5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	812	ChEMBL_2564208	Binding affinity against IWS1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	813	ChEMBL_2564209	Binding affinity against CCT2 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	814	ChEMBL_2564210	Binding affinity against KPNA3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	815	ChEMBL_2564211	Binding affinity against HIRIP3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	816	ChEMBL_2564212	Binding affinity against HSP90AB1 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	817	ChEMBL_2564213	Binding affinity against CDC7 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	818	ChEMBL_2564214	Binding affinity against UCHL5 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	819	ChEMBL_2564215	Binding affinity against SUDS3 (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	820	ChEMBL_2564216	Binding affinity against FAM44A (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	821	ChEMBL_2564217	Binding affinity against IK (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022590	822	ChEMBL_2564218	Binding affinity against ACTB (unknown origin) assessed as apparent dissociation constant incubated for 1 hr by colloidal coomassie staining based LC-MS/MS analysis
50022591	1	ChEMBL_2564619	Inhibition of non-phosphorylated human N-terminal His-P38alpha overexpressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by Kinome scan method
50022591	2	ChEMBL_2564620	Inhibition of non-phosphorylated human N-terminal His-P38alpha overexpressed in Escherichia coli BL21 (DE3)
50022591	3	ChEMBL_2564954	Inhibition of human p38alpha using ATF2 as substrate in presence of 33P-ATP by ProQinase assay
50022591	4	ChEMBL_2564955	Inhibition of p38-MAPK in human HeLa cells assessed as HSP27 phosphorylation at Ser82 level incubated for 2 hrs in the presence of anisomycin stimulation for 40 mins by western blot analysis
50022591	5	ChEMBL_2565000	Inhibition of activated human P38alpha
50022591	6	ChEMBL_2565001	Inhibition of P38alpha in human THP-1 cells incubated for 30 mins by whole blood assay
50022592	1	ChEMBL_2565080	Inhibition of MAP4K2 (unknown origin) Lys1 labeling site by KiNativ Profiling analysis
50022592	2	ChEMBL_2565081	Inhibition of ZC1/HGK (unknown origin) Lys1 labeling site by KiNativ Profiling analysis
50022592	3	ChEMBL_2565083	Inhibition of TAK1 (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	4	ChEMBL_2565084	Inhibition of ZAK (unknown origin) Lys1 labeling site by KiNativ Profiling analysis
50022592	5	ChEMBL_2565085	Inhibition of BRAF (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	6	ChEMBL_2565086	Inhibition of RAF1 (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	7	ChEMBL_2565087	Inhibition of JNK1 (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	8	ChEMBL_2565088	Inhibition of JNK2 (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	9	ChEMBL_2565089	Inhibition of JNK3 (unknown origin) Lys2 labeling site by KiNativ Profiling analysis
50022592	10	ChEMBL_2565090	Inhibition of p38 alpha (unknown origin) by KiNativ Profiling analysis
50022592	11	ChEMBL_2565091	Inhibition of ABL (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	12	ChEMBL_2565092	Inhibition of ARG (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	13	ChEMBL_2565093	Inhibition of CSK (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	14	ChEMBL_2565094	Inhibition of EphA2 (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	15	ChEMBL_2565095	Inhibition of EphB2 (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	16	ChEMBL_2565096	Inhibition of EphB4 (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	17	ChEMBL_2565097	Inhibition of FER (unknown origin) ACT labeling site by KiNativ Profiling analysis
50022592	18	ChEMBL_2565098	Inhibition of LYN (unknown origin) Lys1 labeling site by KiNativ Profiling analysis
50022592	19	ChEMBL_2565099	Inhibition of SRC (unknown origin) Lys1 labeling site by KiNativ Profiling analysis
50022592	20	ChEMBL_2565159	Inhibition of FES (unknown origin) by KiNativ Profiling analysis
50022593	1	ChEMBL_2567750	Inhibition of human ALK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	2	ChEMBL_2567751	Inhibition of human ALK C1156Y mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	3	ChEMBL_2567752	Inhibition of human ALK F1174L mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	4	ChEMBL_2567753	Inhibition of human ALK G1202R mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	5	ChEMBL_2567754	Inhibition of human ALK R1275Q mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	6	ChEMBL_2567755	Inhibition of human ROS1 using KKKSPGEYVNIEFG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	7	ChEMBL_2567756	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	8	ChEMBL_2567757	Inhibition of human FLT3 D835Y mutant using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	9	ChEMBL_2567758	Inhibition of human EGFR using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	10	ChEMBL_2567759	Inhibition of human EGFR L858R mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	11	ChEMBL_2567760	Inhibition of human EGFR L858R/T790M double mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	12	ChEMBL_2567761	Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	13	ChEMBL_2567762	Inhibition of human INSR using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	14	ChEMBL_2567763	Inhibition of human MET using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	15	ChEMBL_2567764	Inhibition of human FER using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	16	ChEMBL_2567765	Inhibition of human ALK L1196M mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	17	ChEMBL_2567766	Inhibition of human FES using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	18	ChEMBL_2567767	Inhibition of human FAK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	19	ChEMBL_2567768	Inhibition of human PTK6 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	20	ChEMBL_2567769	Inhibition of human TSSK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	21	ChEMBL_2567770	Inhibition of human CHEK2 I157T mutant using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	22	ChEMBL_2567771	Inhibition of human CHEK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	23	ChEMBL_2567772	Inhibition of human RPS6kA2 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	24	ChEMBL_2567773	Inhibition of human LTK using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	25	ChEMBL_2567774	Inhibition of human YES1 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	26	ChEMBL_2567775	Inhibition of human RET V804M mutant using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	27	ChEMBL_2567776	Inhibition of human CAMK2G using KKLNRTLSFAEPG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	28	ChEMBL_2567777	Inhibition of human CLK1 using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	29	ChEMBL_2567778	Inhibition of human PTK2B using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	30	ChEMBL_2567779	Inhibition of human RPS6kA3 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	31	ChEMBL_2567780	Inhibition of human ERBB4 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	32	ChEMBL_2567781	Inhibition of human RET V804L mutant using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	33	ChEMBL_2567782	Inhibition of human CAMK2D using KKLNRTLSFAEPG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	34	ChEMBL_2567783	Inhibition of human CHEK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	35	ChEMBL_2567784	Inhibition of human RPS6KA1 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	36	ChEMBL_2567785	Inhibition of human FGFR1 V561M mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	37	ChEMBL_2567786	Inhibition of human ERBB2 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	38	ChEMBL_2567787	Inhibition of human RPS6KA6 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	39	ChEMBL_2567788	Inhibition of human INSRR using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	40	ChEMBL_2567789	Inhibition of human NUAK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	41	ChEMBL_2567790	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	42	ChEMBL_2567791	Inhibition of human FRK using RLGRDKYKTLRQIRQ as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	43	ChEMBL_2567792	Inhibition of human FLT4 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	44	ChEMBL_2567793	Inhibition of human RET using RRRRRRRRRRRVYSTDYYRLFNPS as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	45	ChEMBL_2567794	Inhibition of human CAMKK2 using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	46	ChEMBL_2567795	Inhibition of human KIT D816V mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	47	ChEMBL_2567796	Inhibition of human MNK1 T385D mutant using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	48	ChEMBL_2567797	Inhibition of human Par-1Balpha using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	49	ChEMBL_2567798	Inhibition of human PRKD3 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	50	ChEMBL_2567799	Inhibition of human PHKg2 using KKLNRTLSFAEPG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	51	ChEMBL_2567800	Inhibition of human KIT D816H mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	52	ChEMBL_2567801	Inhibition of human STK10 using RLGRDKYKTLRQIRQ as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	53	ChEMBL_2567802	Inhibition of human BRSK2 using KKLNRTLSFAEPG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	54	ChEMBL_2567803	Inhibition of human MARK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	55	ChEMBL_2567804	Inhibition of human MARK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	56	ChEMBL_2567805	Inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	57	ChEMBL_2567806	Inhibition of human BLK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	58	ChEMBL_2567807	Inhibition of human TSSK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	59	ChEMBL_2567808	Inhibition of human AURKA using H-LRRASLG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	60	ChEMBL_2567809	Inhibition of human JAK2 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	61	ChEMBL_2567810	Inhibition of human SRC T341M mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	62	ChEMBL_2567811	Inhibition of human ABL1 Q252H mutant using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	63	ChEMBL_2567812	Inhibition of human FGFR4 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	64	ChEMBL_2567813	Inhibition of human KIT V560G mutant using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	65	ChEMBL_2567814	Inhibition of human PRKD1 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	66	ChEMBL_2567815	Inhibition of human FYN using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	67	ChEMBL_2567816	Inhibition of human HCK using KVEKIGEGTYGVVYK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	68	ChEMBL_2567817	Inhibition of human FGFR2 N549H using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	69	ChEMBL_2567818	Inhibition of human MAP3K9 using casein as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	70	ChEMBL_2567819	Inhibition of human FGFR2 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	71	ChEMBL_2567820	Inhibition of human CLK2 using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	72	ChEMBL_2567821	Inhibition of human LYN using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	73	ChEMBL_2567822	Inhibition of human ABL1 T315I mutant using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	74	ChEMBL_2567823	Inhibition of human PRKD2 using KKLNRTLSVA as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	75	ChEMBL_2567824	Inhibition of human CSK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	76	ChEMBL_2567825	Inhibition of human BRSK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	77	ChEMBL_2567826	Inhibition of human FGFR3 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	78	ChEMBL_2567827	Inhibition of human FMS using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	79	ChEMBL_2567828	Inhibition of human SIK2 using AMARAASAAALARRR as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	80	ChEMBL_2567829	Inhibition of human FGR using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	81	ChEMBL_2567830	Inhibition of human TAOK1 using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	82	ChEMBL_2567831	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	83	ChEMBL_2567832	Inhibition of human LCK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	84	ChEMBL_2567833	Inhibition of human PLK1 using casein as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	85	ChEMBL_2567834	Inhibition of human BTK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	86	ChEMBL_2567835	Inhibition of human VEGFR2 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	87	ChEMBL_2567836	Inhibition of human MELK using KKLNRTLSFAEPG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	88	ChEMBL_2567837	Inhibition of human PRKG1 using LRRASLG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	89	ChEMBL_2567838	Inhibition of human STK4 using KKSRGDYMTMQIG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	90	ChEMBL_2567839	Inhibition of human TEK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	91	ChEMBL_2567840	Inhibition of human NEK9 using MBP as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	92	ChEMBL_2567841	Inhibition of human AURKB using H-LRRASLG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	93	ChEMBL_2567842	Inhibition of human AURKC using H-LRRASLG as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	94	ChEMBL_2567843	Inhibition of human MERTK using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	95	ChEMBL_2567844	Inhibition of human EPHA1 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	96	ChEMBL_2567845	Inhibition of human EPHA7 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	97	ChEMBL_2567846	Inhibition of human EPHB1 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	98	ChEMBL_2567847	Inhibition of human NTRK2 using poly (Glu, Tyr)4:1 as substrate in presence of [gamma33P]-ATP by HotSpot assay
50022593	99	ChEMBL_2567965	Inhibition of ALK phosphorylation in human NCI-H2228 cells harboring EML4-ALK variant 3a/3b fusion protein incubated for 1 hrs by immunoblot analysis
50022593	100	ChEMBL_2567966	Inhibition of ALK phosphorylation in human NCI-H3122 cells harboring EML4-ALK variant 1 fusion protein incubated for 1 hrs by immunoblot analysis
50022593	101	ChEMBL_2567967	Inhibition of ALK phosphorylation in human SUPM2 cells harboring NPM-ALK fusion protein incubated for 1 hrs by immunoblot analysis
50022593	102	ChEMBL_2567968	Inhibition of ALK phosphorylation in human L-82 cells harboring NPM-ALK fusion protein incubated for 1 hrs by immunoblot analysis
50022593	103	ChEMBL_2567969	Inhibition of ALK phosphorylation in human DEL cells harboring NPM-ALK fusion protein incubated for 1 hrs by immunoblot analysis
50022593	104	ChEMBL_2567970	Inhibition of ALK phosphorylation in human SU-DHL-1 cells harboring NPM-ALK fusion protein incubated for 1 hrs by immunoblot analysis
50022593	105	ChEMBL_2567971	Inhibition of ALK phosphorylation in human KARPAS-299 cells harboring NPM-ALK fusion protein incubated for 1 hrs by immunoblot analysis
50022593	106	ChEMBL_2567979	Inhibition of EGFR 746 to 750 deletion/T790M mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	107	ChEMBL_2567980	Inhibition of EGFR 746 to 750 deletion mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	108	ChEMBL_2567981	Inhibition of FLT3-ITD F691L mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	109	ChEMBL_2567982	Inhibition of FLT3-ITD F691I mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	110	ChEMBL_2567986	Inhibition of SDC4-ROS1 (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ROS1-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	111	ChEMBL_2567988	Inhibition of EML4-ALK variant 1 (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of EML4-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	112	ChEMBL_2567989	Inhibition of CD74-ROS1 (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ROS1-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	113	ChEMBL_2567990	Inhibition of EML4-ALK G1202R mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	114	ChEMBL_2567991	Inhibition of EML4-ALK L1196M mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	115	ChEMBL_2567992	Inhibition of EML4-ALK F1174L mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	116	ChEMBL_2567993	Inhibition of EML4-ALK C1156Y mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	117	ChEMBL_2567994	Inhibition of EML4-ALK (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	118	ChEMBL_2567995	Inhibition of INSR phosphorylation in insulin-stimulated human H4-II-E cells preincubated with compound for 30 mins followed by insulin stimulation and measured after 10 mins by immunoblot analysis
50022593	119	ChEMBL_2567996	Inhibition of IGF-1R phosphorylation in IGF-1 stimulated human HepG2 cells preincubated with compound for 30 mins followed by IGF-1 stimulation for 10 mins by Immunoblot analysis
50022593	120	ChEMBL_2567997	Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of EGFR-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	121	ChEMBL_2567998	Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of EGFR-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	122	ChEMBL_2567999	Inhibition of EGFR phosphorylation in EGF-stimulated human NCI-H358 cells preincubated with compound for 2 hrs followed by EGF stimulation for 10 mins by ELISA
50022593	123	ChEMBL_2568001	Inhibition of FLT3-ITD D835Y mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	124	ChEMBL_2568002	Inhibition of FLT3-ITD mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of FLT3-driven cell viability incubated for 72 hrs by CellTiter 96 aqueous one solution assay
50022593	125	ChEMBL_2568179	Inhibition of native EML4-ALK (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	126	ChEMBL_2568180	Inhibition of EML4-ALK T1151Tins mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	127	ChEMBL_2568181	Inhibition of EML4-ALK L1152R mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	128	ChEMBL_2568182	Inhibition of EML4-ALK L1152P mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	129	ChEMBL_2568183	Inhibition of EML4-ALK C1156Y mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	130	ChEMBL_2568184	Inhibition of EML4-ALK I1171N mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	131	ChEMBL_2568185	Inhibition of EML4-ALK F1174C mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	132	ChEMBL_2568186	Inhibition of EML4-ALK F1174L mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	133	ChEMBL_2568187	Inhibition of EML4-ALK F1174V mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	134	ChEMBL_2568188	Inhibition of EML4-ALK V1180L mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	135	ChEMBL_2568189	Inhibition of EML4-ALK L1196M mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	136	ChEMBL_2568190	Inhibition of EML4-ALK L1198F mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	137	ChEMBL_2568191	Inhibition of EML4-ALK G1202R mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	138	ChEMBL_2568192	Inhibition of EML4-ALK D1203N mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	139	ChEMBL_2568193	Inhibition of EML4-ALK S1206F mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	140	ChEMBL_2568194	Inhibition of EML4-ALK S1206Y mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	141	ChEMBL_2568195	Inhibition of EML4-ALK E1210K mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022593	142	ChEMBL_2568196	Inhibition of EML4-ALK G1269A mutant (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of ALK-driven cell growth incubated for 3 to 5 weeks
50022594	1	ChEMBL_2568321	Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as substrate incubated for 10 mins in presence of ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	2	ChEMBL_2568322	Inhibition of CLK1 (unknown origin) using ULight MBP peptide as substrate incubated for 10 mins in presence of ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	3	ChEMBL_2568323	Inhibition of CLK3 (unknown origin) using ULight-CREBtide peptide as substrate incubated for 10 mins in presence of ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	4	ChEMBL_2568324	Inhibition of DYRK1A (unknown origin) using ULight-CREBtide peptide as substrate incubated for 10 mins in presence of ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	5	ChEMBL_2568325	Inhibition of DYRK1B (unknown origin) using ULight-CREBtide peptide as substrate incubated for 10 mins in presence of ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	6	ChEMBL_2568537	Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as substrate incubated for 10 mins in presence of 20 uM ATP incubated for 45 mins by LANCE Ultra kinase assay
50022594	7	ChEMBL_2568538	Inhibition of N-terminal FLAG-tagged human CLK2 using ULight MBP peptide as substrate incubated for 10 mins in presence of 1 mM ATP incubated for 45 mins by LANCE Ultra kinase assay
50022595	1	ChEMBL_2568703	Binding affinity to VEGFR2 (unknown origin) assessed as inhibition constant
50022595	2	ChEMBL_2568704	Inhibition of Yes (unknown origin)
50022595	3	ChEMBL_2568705	Inhibition of Fms (unknown origin)
50022595	4	ChEMBL_2568706	Inhibition of Aurora A (unknown origin)
50022595	5	ChEMBL_2568707	Inhibition of FGFR3 (unknown origin)
50022595	6	ChEMBL_2568708	Inhibition of FLT3 (unknown origin)
50022595	7	ChEMBL_2568709	Inhibition of Ret (unknown origin)
50022595	8	ChEMBL_2568710	Binding affinity to human recombinant CHK1 assessed as inhibition constant using PLARTLSVAGLPGKK as substrate incubated for 20 min in presence of NADPH by SpectraMax microplate reader analysis
50022595	9	ChEMBL_2568711	Binding affinity to CDK1 (unknown origin) assessed as inhibition constant
50022595	10	ChEMBL_2568712	Binding affinity to CHK2 (unknown origin) assessed as inhibition constant
50022596	1	ChEMBL_2568847	Inhibition of GST tagged JAK1 (unknown origin) expressed in insect cells
50022596	2	ChEMBL_2568848	Inhibition of GST tagged JAK2 (unknown origin) expressed in insect cells
50022596	3	ChEMBL_2568849	Inhibition of MAPK8 (unknown origin)
50022596	4	ChEMBL_2568850	Inhibition of PRKCN (unknown origin)
50022596	5	ChEMBL_2568851	Inhibition of PRKD1 (unknown origin)
50022596	6	ChEMBL_2568852	Inhibition of ROCK2 (unknown origin)
50022596	7	ChEMBL_2568853	Inhibition of TBK1 (unknown origin)
50022596	8	ChEMBL_2568854	Inhibition of ABL1 (unknown origin)
50022596	9	ChEMBL_2568855	Inhibition of ACVR1B (unknown origin)
50022596	10	ChEMBL_2568856	Inhibition of AMPK alpha1/beta1/gamma1 (unknown origin)
50022596	11	ChEMBL_2568857	Inhibition of AURKB (unknown origin)
50022596	12	ChEMBL_2568858	Inhibition of AURKC (unknown origin)
50022596	13	ChEMBL_2568859	Inhibition of BRAF (unknown origin)
50022596	14	ChEMBL_2568860	Inhibition of BRSK1 (unknown origin)
50022596	15	ChEMBL_2568861	Inhibition of CAMK1 delta (unknown origin)
50022596	16	ChEMBL_2568862	Inhibition of CDK1/cyclin B (unknown origin)
50022596	17	ChEMBL_2568863	Inhibition of CDK5/p35 (unknown origin)
50022596	18	ChEMBL_2568864	Inhibition of CLK1 (unknown origin)
50022596	19	ChEMBL_2568865	Inhibition of CSF1R (unknown origin)
50022596	20	ChEMBL_2568866	Inhibition of EPHB1 (unknown origin)
50022596	21	ChEMBL_2568867	Inhibition of FGR (unknown origin)
50022596	22	ChEMBL_2568868	Inhibition of GRK4 (unknown origin)
50022596	23	ChEMBL_2568869	Inhibition of HIPK1 (unknown origin)
50022596	24	ChEMBL_2568870	Inhibition of HIPK4 (unknown origin)
50022596	25	ChEMBL_2568871	Inhibition of IKBKB (unknown origin)
50022596	26	ChEMBL_2568872	Inhibition of KDR (unknown origin)
50022596	27	ChEMBL_2568873	Inhibition of MAP3K8 (unknown origin)
50022596	28	ChEMBL_2568874	Inhibition of MAP3K9 (unknown origin)
50022596	29	ChEMBL_2568875	Inhibition of MAP4K2 (unknown origin)
50022596	30	ChEMBL_2568876	Inhibition of MAPK1 (unknown origin)
50022596	31	ChEMBL_2568877	Inhibition of MAPK10 (unknown origin)
50022596	32	ChEMBL_2568878	Inhibition of MAPK9 (unknown origin)
50022596	33	ChEMBL_2568879	Inhibition of MARK1 (unknown origin)
50022596	34	ChEMBL_2568880	Inhibition of MERTK (unknown origin)
50022596	35	ChEMBL_2568881	Inhibition of MINK1 (unknown origin)
50022596	36	ChEMBL_2568882	Inhibition of MST1R (unknown origin)
50022596	37	ChEMBL_2568883	Inhibition of MST4 (unknown origin)
50022596	38	ChEMBL_2568884	Inhibition of MUSK (unknown origin)
50022596	39	ChEMBL_2568885	Inhibition of MYLK2 (unknown origin)
50022596	40	ChEMBL_2568886	Inhibition of NEK9 (unknown origin)
50022596	41	ChEMBL_2568887	Inhibition of NTRK1 (unknown origin)
50022596	42	ChEMBL_2568888	Inhibition of NTRK2 (unknown origin)
50022596	43	ChEMBL_2568889	Inhibition of PAK4 (unknown origin)
50022596	44	ChEMBL_2568890	Inhibition of PDGFRA (unknown origin)
50022596	45	ChEMBL_2568891	Inhibition of PKN1 (unknown origin)
50022596	46	ChEMBL_2568892	Inhibition of PLK3 (unknown origin)
50022596	47	ChEMBL_2568893	Inhibition of PRKCG (unknown origin)
50022596	48	ChEMBL_2568894	Inhibition of PRKD2 (unknown origin)
50022596	49	ChEMBL_2568895	Inhibition of RAF1 Y340D (unknown origin)
50022596	50	ChEMBL_2568896	Inhibition of ROS1 (unknown origin)
50022596	51	ChEMBL_2568897	Inhibition of RPS6KA1 (unknown origin)
50022596	52	ChEMBL_2568898	Inhibition of RPS6KB1 (unknown origin)
50022596	53	ChEMBL_2568899	Inhibition of SGK (unknown origin)
50022596	54	ChEMBL_2568900	Inhibition of STK22D (unknown origin)
50022596	55	ChEMBL_2568901	Inhibition of SYK (unknown origin)
50022596	56	ChEMBL_2568902	Inhibition of TYRO3 (unknown origin)
50022596	57	ChEMBL_2568903	Inhibition of ADRBK1 (unknown origin)
50022596	58	ChEMBL_2568904	Inhibition of ADRBK2 (unknown origin)
50022596	59	ChEMBL_2568905	Inhibition of AKT1 (unknown origin)
50022596	60	ChEMBL_2568906	Inhibition of ALK (unknown origin)
50022596	61	ChEMBL_2568907	Inhibition of BLK (unknown origin)
50022596	62	ChEMBL_2568908	Inhibition of CAMK2 alpha (unknown origin)
50022596	63	ChEMBL_2568909	Inhibition of CAMK4 (unknown origin)
50022596	64	ChEMBL_2568910	Inhibition of CDC42BPA (unknown origin)
50022596	65	ChEMBL_2568911	Inhibition of CHEK1 (unknown origin)
50022596	66	ChEMBL_2568912	Inhibition of CHEK2 (unknown origin)
50022596	67	ChEMBL_2568913	Inhibition of CLK2 (unknown origin)
50022596	68	ChEMBL_2568914	Inhibition of CLK3 (unknown origin)
50022596	69	ChEMBL_2568915	Inhibition of CSK (unknown origin)
50022596	70	ChEMBL_2568916	Inhibition of CSNK1G1 (unknown origin)
50022596	71	ChEMBL_2568917	Inhibition of CSNK1G2 (unknown origin)
50022596	72	ChEMBL_2568918	Inhibition of CSNK2A1 (unknown origin)
50022596	73	ChEMBL_2568919	Inhibition of DAPK3 (unknown origin)
50022596	74	ChEMBL_2568920	Inhibition of DCAMKL2 (unknown origin)
50022596	75	ChEMBL_2568921	Inhibition of DYRK1A (unknown origin)
50022596	76	ChEMBL_2568922	Inhibition of DYRK3 (unknown origin)
50022596	77	ChEMBL_2568923	Inhibition of EPHA1 (unknown origin)
50022596	78	ChEMBL_2568924	Inhibition of EPHA2 (unknown origin)
50022596	79	ChEMBL_2568925	Inhibition of EPHA3 (unknown origin)
50022596	80	ChEMBL_2568926	Inhibition of EPHA8 (unknown origin)
50022596	81	ChEMBL_2568927	Inhibition of EPHB3 (unknown origin)
50022596	82	ChEMBL_2568928	Inhibition of ERBB2 (unknown origin)
50022596	83	ChEMBL_2568929	Inhibition of FER (unknown origin)
50022596	84	ChEMBL_2568930	Inhibition of FES (unknown origin)
50022596	85	ChEMBL_2568931	Inhibition of FGFR1 (unknown origin)
50022596	86	ChEMBL_2568932	Inhibition of FGFR3 (unknown origin)
50022596	87	ChEMBL_2568933	Inhibition of FLT1 (unknown origin)
50022596	88	ChEMBL_2568934	Inhibition of FLT3 (unknown origin)
50022596	89	ChEMBL_2568935	Inhibition of FRK (unknown origin)
50022596	90	ChEMBL_2568936	Inhibition of FYN (unknown origin)
50022596	91	ChEMBL_2568937	Inhibition of GRK7 (unknown origin)
50022596	92	ChEMBL_2568938	Inhibition of GSK3alpha (unknown origin)
50022596	93	ChEMBL_2568939	Inhibition of GSK3 beta (unknown origin)
50022596	94	ChEMBL_2568940	Inhibition of IGF1R (unknown origin)
50022596	95	ChEMBL_2568941	Inhibition of INSR (unknown origin)
50022596	96	ChEMBL_2568942	Inhibition of IRAK4 (unknown origin)
50022596	97	ChEMBL_2568943	Inhibition of ITK (unknown origin)
50022596	98	ChEMBL_2568944	Inhibition of GST tagged JAK3 (unknown origin) expressed in insect cells
50022596	99	ChEMBL_2568945	Inhibition of LCK (unknown origin)
50022596	100	ChEMBL_2568946	Inhibition of LTK (unknown origin)
50022596	101	ChEMBL_2568947	Inhibition of LYN A (unknown origin)
50022596	102	ChEMBL_2568948	Inhibition of MAP2K1 (unknown origin)
50022596	103	ChEMBL_2568949	Inhibition of MAP4K4 (unknown origin)
50022596	104	ChEMBL_2568950	Inhibition of MAPK11 (unknown origin)
50022596	105	ChEMBL_2568951	Inhibition of MAPK12 (unknown origin)
50022596	106	ChEMBL_2568952	Inhibition of MAPK14 (unknown origin)
50022596	107	ChEMBL_2568953	Inhibition of MAPK3 (unknown origin)
50022596	108	ChEMBL_2568954	Inhibition of MAPKAPK2 (unknown origin)
50022596	109	ChEMBL_2568955	Inhibition of MAPKAPK5 (unknown origin)
50022596	110	ChEMBL_2568956	Inhibition of MET (unknown origin)
50022596	111	ChEMBL_2568957	Inhibition of NEK2 (unknown origin)
50022596	112	ChEMBL_2568958	Inhibition of NEK6 (unknown origin)
50022596	113	ChEMBL_2568959	Inhibition of PAK2 (unknown origin)
50022596	114	ChEMBL_2568960	Inhibition of PAK6 (unknown origin)
50022596	115	ChEMBL_2568961	Inhibition of PASK (unknown origin)
50022596	116	ChEMBL_2568962	Inhibition of PDGFRB (unknown origin)
50022596	117	ChEMBL_2568963	Inhibition of PDK1 (unknown origin)
50022596	118	ChEMBL_2568964	Inhibition of PHKG2 (unknown origin)
50022596	119	ChEMBL_2568965	Inhibition of PIM1 (unknown origin)
50022596	120	ChEMBL_2568966	Inhibition of PLK1 (unknown origin)
50022596	121	ChEMBL_2568967	Inhibition of PRKACA (unknown origin)
50022596	122	ChEMBL_2568968	Inhibition of PRKCA (unknown origin)
50022596	123	ChEMBL_2568969	Inhibition of PRKCB1 (unknown origin)
50022596	124	ChEMBL_2568970	Inhibition of PRKG1 (unknown origin)
50022596	125	ChEMBL_2568971	Inhibition of PRKX (unknown origin)
50022596	126	ChEMBL_2568972	Inhibition of PTK2B (unknown origin)
50022596	127	ChEMBL_2568973	Inhibition of PTK6 (unknown origin)
50022596	128	ChEMBL_2568974	Inhibition of RAF1 Y341D (unknown origin)
50022596	129	ChEMBL_2568975	Inhibition of RET (unknown origin)
50022596	130	ChEMBL_2568976	Inhibition of ROCK1 (unknown origin)
50022596	131	ChEMBL_2568977	Inhibition of RPS6KA3 (unknown origin)
50022596	132	ChEMBL_2568978	Inhibition of RPS6KA5 (unknown origin)
50022596	133	ChEMBL_2568979	Inhibition of SGKL (unknown origin)
50022596	134	ChEMBL_2568980	Inhibition of SRC (unknown origin)
50022596	135	ChEMBL_2568981	Inhibition of SRMS (unknown origin)
50022596	136	ChEMBL_2568982	Inhibition of SRPK1 (unknown origin)
50022596	137	ChEMBL_2568983	Inhibition of SRPK2 (unknown origin)
50022596	138	ChEMBL_2568984	Inhibition of STK22B (unknown origin)
50022596	139	ChEMBL_2568985	Inhibition of STK23 (unknown origin)
50022596	140	ChEMBL_2568986	Inhibition of STK24 (unknown origin)
50022596	141	ChEMBL_2568987	Inhibition of STK25 (unknown origin)
50022596	142	ChEMBL_2568988	Inhibition of STK3 (unknown origin)
50022596	143	ChEMBL_2568989	Inhibition of STK6 (unknown origin)
50022596	144	ChEMBL_2568990	Inhibition of TAOK2 (unknown origin)
50022596	145	ChEMBL_2568991	Inhibition of YES1 (unknown origin)
50022596	146	ChEMBL_2569199	Inhibition of STAT5 phosphorylation in human HEL cells by Western blot analysis
50022596	147	ChEMBL_2569200	Inhibition of STAT3 phosphorylation in human HEL cells by Western blot analysis
50022597	1	ChEMBL_2569361	Inhibition of Aurora A in human COLO 205 cells using pHH-S10 as substrate incubated for 2 hrs by ELISA method
50022597	2	ChEMBL_2569362	Inhibition of Aurora A in human MX1 cells using pHH-S10 as substrate incubated for 2 hrs by ELISA method
50022597	3	ChEMBL_2569363	Inhibition of Aurora A in human HCT-116 cells using pHH-S10 as substrate incubated for 2 hrs by ELISA method
50022597	4	ChEMBL_2569364	Inhibition of Aurora A in human A549 cells using pHH-S10 as substrate incubated for 2 hrs by ELISA method
50022597	5	ChEMBL_2569365	Inhibition of Aurora A in human HeLa cells using pHH-S10 as substrate incubated for 2 hrs by ELISA method
50022597	6	ChEMBL_2569407	Binding affinity to AurB/INCENP (unknown origin) assessed as inhibition constant
50022597	7	ChEMBL_2569408	Binding affinity to AurC/INCENP (unknown origin) assessed as inhibition constant
50022597	8	ChEMBL_2569409	Binding affinity to Aura/TPX2 (unknown origin) assessed as inhibition constant
50022597	9	ChEMBL_2569410	Inhibition of FLT1 (unknown origin)
50022597	10	ChEMBL_2569411	Inhibition of TIE2 (unknown origin)
50022597	11	ChEMBL_2569412	Inhibition of SIK (unknown origin)
50022597	12	ChEMBL_2569413	Inhibition of FLT4 (unknown origin)
50022597	13	ChEMBL_2569414	Inhibition of FGFR1 (unknown origin)
50022598	1	ChEMBL_2569418	Time-dependent inhibition of full length human PLK1 assessed as apparent dissociation constant by Cheng-Prusoff equation analysis
50022598	2	ChEMBL_2569419	Time-dependent inhibition of full length human PLK2 assessed as apparent dissociation constant by Cheng-Prusoff equation analysis
50022598	3	ChEMBL_2569420	Time-dependent inhibition of full length human PLK3 assessed as apparent dissociation constant by Cheng-Prusoff equation analysis
50022599	1	ChEMBL_2569971	Inhibition of GST-tagged LRRK2 (1326 to 2527 residues) (unknown origin) using peptide as substrate incubated for 15 mins in presence of ATP by immunoblotting analysis
50022599	2	ChEMBL_2569972	Inhibition of GST-tagged LRRK2 G2019S mutant (1326 to 2527 residues) (unknown origin) using peptide as substrate incubated for 15 mins in presence of ATP by immunoblotting analysis
50022599	3	ChEMBL_2569973	Inhibition of His6-tagged ROCK2 (2 to 543 residues) (unknown origin) using peptide as substrate incubated for 15 mins in presence of ATP by immunoblotting analysis
50022599	4	ChEMBL_2569986	Inhibition of GST-tagged LRRK2 G2019S mutant (1326 to 2527 residues) (unknown origin) in presence of ATP
50022599	5	ChEMBL_2569987	Inhibition of GST-tagged LRRK2 G2019S/A2016T mutant (1326 to 2527 residues) (unknown origin) in presence of ATP
50022600	1	ChEMBL_2570029	Binding affinity of ALK (unknown origin) assessed as dissociation constant
50022600	2	ChEMBL_2570030	Binding affinity to ARK5 (unknown origin) assessed as dissociation constant
50022600	3	ChEMBL_2570031	Binding affinity to BLK (unknown origin) assessed as dissociation constant
50022600	4	ChEMBL_2570032	Binding affinity to BTK (unknown origin) assessed as dissociation constant
50022600	5	ChEMBL_2570033	Binding affinity to DCAMKL3 (unknown origin) assessed as dissociation constant
50022600	6	ChEMBL_2570034	Binding affinity to EGFR (unknown origin) assessed as dissociation constant
50022600	7	ChEMBL_2570035	Binding affinity to EGFR del E746_A750 mutant (unknown origin) assessed as dissociation constant
50022600	8	ChEMBL_2570036	Binding affinity to EGFR del L747_E749,A750P mutant (unknown origin) assessed as dissociation constant
50022600	9	ChEMBL_2570037	Binding affinity to EGFR del S752_I759 mutant (unknown origin) assessed as dissociation constant
50022600	10	ChEMBL_2570038	Binding affinity to EGFR L858R mutant (unknown origin) assessed as dissociation constant
50022600	11	ChEMBL_2570039	Binding affinity to ERBB4 (unknown origin) assessed as dissociation constant
50022600	12	ChEMBL_2570040	Binding affinity to FLT3 D835Y mutant (unknown origin) assessed as dissociation constant
50022600	13	ChEMBL_2570041	Binding affinity to GCN2 (unknown origin) assessed as dissociation constant
50022600	14	ChEMBL_2570042	Binding affinity to GAK (unknown origin) assessed as dissociation constant
50022600	15	ChEMBL_2570043	Binding affinity to ITK (unknown origin) assessed as dissociation constant
50022600	16	ChEMBL_2570044	Binding affinity to JAK3 (unknown origin) assessed as dissociation constant
50022600	17	ChEMBL_2570045	Binding affinity to PLK4 (unknown origin) assessed as dissociation constant
50022600	18	ChEMBL_2570046	Binding affinity to FAK (unknown origin) assessed as dissociation constant
50022600	19	ChEMBL_2570047	Binding affinity to SNARK (unknown origin) assessed as dissociation constant
50022600	20	ChEMBL_2570074	Inhibition of wildtype EGFR (unknown origin) transformed in mouse BaF3 cells
50022600	21	ChEMBL_2570075	Inhibition of TEL fused BMX (unknown origin) transformed in mouse BaF3 cells
50022600	22	ChEMBL_2570076	Inhibition of TEL fused BLK (unknown origin) transformed in mouse BaF3 cells
50022600	23	ChEMBL_2570077	Inhibition of TEL fused JAK2 (unknown origin) transformed in mouse BaF3 cells
50022600	24	ChEMBL_2570078	Inhibition of TEL fused JAK3 (unknown origin) transformed in mouse BaF3 cells
50022600	25	ChEMBL_2570138	Binding affinity to human wildtype EGFR (696 to 1022 residues) expressed in baculovirus/insect cells assessed as dissociation constant by equilibrium fluorescence quenching method
50022600	26	ChEMBL_2570139	Binding affinity to human EGFR T790M mutant (696 to 1022 residues) expressed in baculovirus/insect cells assessed as dissociation constant by equilibrium fluorescence quenching method
50022600	27	ChEMBL_2570140	Binding affinity to human EGFR L858R mutant (696 to 1022 residues) expressed in baculovirus/insect cells assessed as dissociation constant by equilibrium fluorescence quenching method
50022600	28	ChEMBL_2570141	Binding affinity to human EGFR L858R/T790M mutant (696 to 1022 residues) expressed in baculovirus/insect cells assessed as dissociation constant by equilibrium fluorescence quenching method
50022600	29	ChEMBL_2570142	Binding affinity to wildtype EGFR (unknown origin) assessed as dissociation constant
50022600	30	ChEMBL_2570143	Binding affinity to EGFR T790M mutant (unknown origin) assessed as dissociation constant
50022600	31	ChEMBL_2570144	Binding affinity to EGFR L858R/T790M mutant (unknown origin) assessed as dissociation constant
50022601	1	ChEMBL_2570146	Binding affinity to wild-type human CENP-E assessed as inhibition constant
50022601	2	ChEMBL_2570147	Binding affinity to wild-type dog CENP-E assessed as inhibition constant
50022601	3	ChEMBL_2570148	Binding affinity to wild-type mouse CENP-E assessed as inhibition constant
50022601	4	ChEMBL_2570149	Binding affinity to human CENP-E I182L/T183A/K184T mutant assessed as inhibition constant
50022601	5	ChEMBL_2570150	Binding affinity to human CENP-E I182L mutant assessed as inhibition constant
50022601	6	ChEMBL_2570151	Binding affinity to human CENP-E T183A mutant assessed as inhibition constant
50022601	7	ChEMBL_2570152	Binding affinity to human CENP-E K184T mutant assessed as inhibition constant
50022601	8	ChEMBL_2570153	Binding affinity to human CENP-E I182L/T183A mutant assessed as inhibition constant
50022601	9	ChEMBL_2570154	Binding affinity to human CENP-E I182L/K184T mutant assessed as inhibition constant
50022601	10	ChEMBL_2570196	Inhibition of microtubule-stimulated ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) in presence of ATP
50022601	11	ChEMBL_2570197	Inhibition of ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) in presence of ATP
50022601	12	ChEMBL_2570198	Uncompetitive binding affinity to C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as apparent inhibition constant in presence of ATP
50022601	13	ChEMBL_2570199	Competitive-like binding affinity to C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as apparent inhibition constant in presence of ATP
50022601	14	ChEMBL_2570200	Uncompetitive-like binding affinity to C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as apparent inhibition constant in presence of ATP
50022601	15	ChEMBL_2570203	Uncompetitive binding affinity to microtubule-stimulated ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as apparent inhibition constant
50022602	1	ChEMBL_2571245	Time-dependent inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) assessed as inhibition constant in presence of ATP
50022602	2	ChEMBL_2571246	Inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) in presence of ATP
50022602	3	ChEMBL_2571248	Inhibition of recombinant ACK1 (unknown origin)
50022602	4	ChEMBL_2571249	Inhibition of recombinant AKT1 (unknown origin)
50022602	5	ChEMBL_2571250	Inhibition of recombinant ALK (unknown origin)
50022602	6	ChEMBL_2571253	Inhibition of recombinant BRK (unknown origin)
50022602	7	ChEMBL_2571254	Inhibition of recombinant BUB1 (unknown origin)
50022602	8	ChEMBL_2571255	Inhibition of recombinant CDC7/DBF4 (unknown origin)
50022602	9	ChEMBL_2571256	Inhibition of recombinant CDK1/CYCB (unknown origin)
50022602	10	ChEMBL_2571258	Inhibition of recombinant CDK2/CYCE1 (unknown origin)
50022602	11	ChEMBL_2571259	Inhibition of recombinant CDK4/CYCD1 (unknown origin)
50022602	12	ChEMBL_2571260	Inhibition of recombinant CDK5/P25 (unknown origin)
50022602	13	ChEMBL_2571261	Inhibition of recombinant CHK1 (unknown origin)
50022602	14	ChEMBL_2571262	Inhibition of recombinant CK2 (unknown origin)
50022602	15	ChEMBL_2571263	Inhibition of recombinant EEF2K (unknown origin)
50022602	16	ChEMBL_2571264	Inhibition of recombinant EGFR1 (unknown origin)
50022602	17	ChEMBL_2571265	Inhibition of recombinant ERK2 (unknown origin)
50022602	18	ChEMBL_2571266	Inhibition of recombinant FAK (unknown origin)
50022602	19	ChEMBL_2571267	Inhibition of recombinant FGFR1 (unknown origin)
50022602	20	ChEMBL_2571268	Inhibition of recombinant FLT3 (unknown origin)
50022602	21	ChEMBL_2571269	Inhibition of recombinant GSK3beta (unknown origin)
50022602	22	ChEMBL_2571270	Inhibition of recombinant Haspin (unknown origin)
50022602	23	ChEMBL_2571271	Inhibition of recombinant IGFR1 (unknown origin)
50022602	24	ChEMBL_2571272	Inhibition of recombinant IKK2 (unknown origin)
50022602	25	ChEMBL_2571273	Inhibition of recombinant IR (unknown origin)
50022602	26	ChEMBL_2571274	Inhibition of recombinant JAK1 (unknown origin)
50022602	27	ChEMBL_2571275	Inhibition of recombinant JAK3 (unknown origin)
50022602	28	ChEMBL_2571276	Inhibition of recombinant KIT (unknown origin)
50022602	29	ChEMBL_2571277	Inhibition of recombinant LCK (unknown origin)
50022602	30	ChEMBL_2571278	Inhibition of recombinant LYN (unknown origin)
50022602	31	ChEMBL_2571279	Inhibition of recombinant MAPKAPK2 (unknown origin)
50022602	32	ChEMBL_2571280	Inhibition of recombinant MELK (unknown origin)
50022602	33	ChEMBL_2571281	Inhibition of recombinant MET (unknown origin)
50022602	34	ChEMBL_2571282	Inhibition of recombinant MNK2 (unknown origin)
50022602	35	ChEMBL_2571283	Inhibition of recombinant MPS1 (unknown origin)
50022602	36	ChEMBL_2571284	Inhibition of recombinant MST4 (unknown origin)
50022602	37	ChEMBL_2571285	Inhibition of recombinant NEK6 (unknown origin)
50022602	38	ChEMBL_2571286	Inhibition of recombinant NIM1 (unknown origin)
50022602	39	ChEMBL_2571287	Inhibition of recombinant P38alpha (unknown origin)
50022602	40	ChEMBL_2571288	Inhibition of recombinant PAK4 (unknown origin)
50022602	41	ChEMBL_2571290	Inhibition of recombinant PDK1 (unknown origin)
50022602	42	ChEMBL_2571291	Inhibition of recombinant PERK (unknown origin)
50022602	43	ChEMBL_2571292	Inhibition of recombinant PIM1 (unknown origin)
50022602	44	ChEMBL_2571293	Inhibition of recombinant PIM2 (unknown origin)
50022602	45	ChEMBL_2571294	Inhibition of recombinant PKAalpha (unknown origin)
50022602	46	ChEMBL_2571295	Inhibition of recombinant PKCbeta (unknown origin)
50022602	47	ChEMBL_2571296	Inhibition of recombinant PLK1 (unknown origin)
50022602	48	ChEMBL_2571297	Inhibition of recombinant PLK2 (unknown origin)
50022602	49	ChEMBL_2571298	Inhibition of recombinant PLK3 (unknown origin)
50022602	50	ChEMBL_2571299	Inhibition of recombinant RET (unknown origin)
50022602	51	ChEMBL_2571301	Inhibition of recombinant SYK (unknown origin)
50022602	52	ChEMBL_2571302	Inhibition of recombinant TRKA (unknown origin)
50022602	53	ChEMBL_2571303	Inhibition of recombinant TYK 2 (unknown origin)
50022602	54	ChEMBL_2571304	Inhibition of recombinant VEGFR2 (unknown origin)
50022602	55	ChEMBL_2571305	Inhibition of recombinant VEGFR3 (unknown origin)
50022602	56	ChEMBL_2571306	Inhibition of recombinant ZAP70 (unknown origin)
50022602	57	ChEMBL_2571432	Competitive inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) in presence of 3.3 uM ATP incubated for 60 mins
50022602	58	ChEMBL_2571433	Competitive inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) in presence of 10 uM ATP incubated for 60 mins
50022602	59	ChEMBL_2571434	Competitive inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) in presence of 30 uM ATP incubated for 60 mins
50022602	60	ChEMBL_2571435	Competitive inhibition of full length N-terminal GST-tagged human recombinant MPS1 (2 to 857 residues) in presence of 90 uM ATP incubated for 60 mins
50022602	61	ChEMBL_2571436	Inhibition of recombinant CK2 (unknown origin) preincubated for 60 mins
50022602	62	ChEMBL_2571437	Inhibition of recombinant MELK (unknown origin) preincubated for 60 mins
50022602	63	ChEMBL_2571438	Inhibition of recombinant NEK6 (unknown origin) preincubated for 60 mins
50022602	64	ChEMBL_2571441	Binding affinity to recombinant human MPS1 assessed as dissociation constant
50022602	65	ChEMBL_2571443	Inhibition of MPS1 in human nocodazole-arrested U2OS cells assessed as effect on histone H3 phosphorylation at ser10 residue incubated for 2 hrs by arrayscan analysis
50022602	66	ChEMBL_2571444	Inhibition of MPS1 in human taxol-arrested U2OS cells assessed as effect on histone H3 phosphorylation at ser10 residue incubated for 2 hrs by arrayscan analysis
50022604	1	ChEMBL_2571493	Inhibition of recombinant N-terminal GST-tagged JAK1 (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly(Glu,Ala,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	2	ChEMBL_2571494	Inhibition of recombinant N-terminal GST-tagged JAK2 (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly (Glu,Ala,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	3	ChEMBL_2571495	Inhibition of recombinant N-terminal GST-tagged JAK2 V617F mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly (Glu,Ala,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	4	ChEMBL_2571496	Inhibition of recombinant N-terminal GST-tagged JAK3 (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly (Glu,Ala,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	5	ChEMBL_2571497	Inhibition of recombinant N-terminal GST-tagged TYK2 (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly (Glu,Ala,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	6	ChEMBL_2571498	Inhibition of recombinant N-terminal GST-tagged FLT3 (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly(Glu,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022604	7	ChEMBL_2571499	Inhibition of recombinant N-terminal GST-tagged FLT3 D835Y mutant (unknown origin) expressed in Bac-to-Bac baculovirus expression system incubated for 2 hrs using poly(Glu,Tyr) as substrate in presence of ATP by multi-label plate reader analysis
50022605	1	ChEMBL_2571586	Activation of full length rhesus monkey TRPA1 transfected in HEK293F cells assessed as 1 mM of MO-induced current Blockade at -60 mV by whole-cell recording analysis
50022605	2	ChEMBL_2571587	Activation of full length rhesus monkey TRPA1 transfected in HEK293F cells assessed as 120 uM of MO-induced current Blockade at -60 mV by whole-cell recording analysis
50022605	3	ChEMBL_2571589	Agonist activity at full length rat TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022605	4	ChEMBL_2571590	Agonist activity at full length human TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022605	5	ChEMBL_2571593	Agonist activity at rhesus monkey TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022605	6	ChEMBL_2571596	Agonist activity at full length mouse TRPA1 transfected in HEK293F cells assessed as increase in Ca2+ influx by FLIPR calcium assay
50022605	7	ChEMBL_2571598	Antagonist activity at full length human TRPA1 transfected in HEK293F cells assessed as blockade of MO-induced TRPA1 channel activation by measuring Ca2+ influx in presence of 30 uM MO by FLIPR calcium assay
50022605	8	ChEMBL_2571599	Antagonist activity at full length rhesus monkey TRPA1 transfected in HEK293F cells assessed as blockade of MO-induced TRPA1 channel activation by measuring Ca2+ influx in presence of 120 uM MO by FLIPR calcium assay
50022605	9	ChEMBL_2571600	Antagonist activity at full length rat TRPA1 transfected in HEK293F cells assessed as blockade of MO-induced TRPA1 channel activation by measuring Ca2+ influx in presence of 30 uM MO by FLIPR calcium assay
50022605	10	ChEMBL_2571601	Antagonist activity at full length mouse TRPA1 transfected in HEK293F cells assessed as blockade of MO-induced TRPA1 channel activation by measuring Ca2+ influx in presence of 30 uM MO by FLIPR calcium assay
50022606	1	ChEMBL_2571699	Binding affinity to H3 receptor (unknown origin) assessed as inhibition constant
50022606	2	ChEMBL_2571700	Binding affinity to NET (unknown origin) assessed as inhibition constant
50022606	3	ChEMBL_2571701	Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constant
50022606	4	ChEMBL_2571702	Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constant
50022606	5	ChEMBL_2571705	Inhibition of EZH2 methyltransferase activity (unknown origin) in PRC2 complex using 3H-SAM as substrate by Scintillation proximity assay
50022606	6	ChEMBL_2571706	Inhibition of human EZH2 using histone H1 as substrate incubated for 30 mins followed by substrate addition and measured after 90 mins by Microscint-O scintillation counting analysis
50022606	7	ChEMBL_2571707	Inhibition of wild type EZH2 methyltransferase activity (unknown origin) using 3H-SAM as substrate incubated for 30 mins by Microscint-O scintillation counting analysis
50022606	8	ChEMBL_2571708	Inhibition of EZH1 methyltransferase activity (unknown origin) in PRC2 complex using 3H-SAM as substrate by Scintillation proximity assay
50022606	9	ChEMBL_2571709	Competitive inhibition of EZH2 methyltransferase activity (unknown origin) in PRC2 complex assessed as inhibition constant in presence of cofactor SAM by Lineweaver-Burk plot analysis
50022606	10	ChEMBL_2571713	Inhibition of EZH2 Y641F mutant (unknown origin) using HMT as substrate incubated for 60 mins by luminescence based analysis
50022606	11	ChEMBL_2571719	Inhibition of SMYD2 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	12	ChEMBL_2571720	Inhibition of G9a (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	13	ChEMBL_2571721	Inhibition of SUV39H2 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	14	ChEMBL_2571722	Inhibition of PRMT5 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	15	ChEMBL_2571723	Inhibition of SETD8 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	16	ChEMBL_2571724	Inhibition of SETD7 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	17	ChEMBL_2571725	Inhibition of PRMT3 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	18	ChEMBL_2571726	Inhibition of MLL1 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	19	ChEMBL_2571727	Inhibition of PRMT1 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	20	ChEMBL_2571728	Inhibition of SUV420H1 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	21	ChEMBL_2571729	Inhibition of DNMT1 (unknown origin) using hemimethylated dsDNA as substrate incubated for 1 hr by scintillation proximity assay
50022606	22	ChEMBL_2571730	Inhibition of SUV420H2 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	23	ChEMBL_2571731	Inhibition of EHMT1 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	24	ChEMBL_2571732	Inhibition of DOT1L (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	25	ChEMBL_2571748	Inhibition of SETDB1 (unknown origin) using [3H-SAM] as substrate incubated for 1 hr by scintillation proximity assay
50022606	26	ChEMBL_2571750	Inhibition of human EZH2 in human MCF-10A cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by In-cell western assay
50022607	1	ChEMBL_2571768	Inhibition of GST-tagged NUAK1 (unknown origin) expressed in HEK293 cells using ALNRTSSDSALHRRR as substrate incubated for 30 mins in presence of [gamma-32P]-ATP by Cerenkov counting method
50022607	2	ChEMBL_2571769	Inhibition of GST-tagged NUAK2 (unknown origin) expressed in HEK293 cells using ALNRTSSDSALHRRR as substrate incubated for 30 mins in presence of [gamma-32P]-ATP by Cerenkov counting method
50022608	1	ChEMBL_2571932	Inhibition of wildtype full length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) V2R-pRARE using biotinylated H3 (1-25) peptide as substrate incubated for 1 hrs in presence of 3H-SAM by radioactivity based assay
50022608	2	ChEMBL_2571937	Inhibition of full length human SETD7 (1 to 366 residues) expressed in Escherichia coli BL21 (DE3) V2R-pRARE assessed as apparent inhibition constant using biotinylated H3 (1-25) peptide as substrate incubated for 1 hrs in presence of 3H-SAM by morrison equation
50022608	3	ChEMBL_2571945	Binding affinity to biotinylated SETD7 (unknown origin) assessed as dissociation constant in presence of SAM in flow and wash buffer by SPR analysis
50022608	4	ChEMBL_2572110	Inhibition of human alpha 2B receptor
50022608	5	ChEMBL_2572111	Inhibition of human BB3 receptor
50022608	6	ChEMBL_2572112	Inhibition of human motilin receptor
50022608	7	ChEMBL_2572113	Inhibition of human kappa opioid receptor
50022609	1	ChEMBL_2572135	Inhibition of recombinant human Vps34-Vps15 complex expressed in insect cells assessed as reduction in PtdIns phosphorylation incubated for 30 mins in presence of [gamma-32P]-ATP by radioactive assay
50022609	2	ChEMBL_2572598	Inhibition of PI3Kalpha (unknown origin) using PtdIns(4,5)P2 as substrate preincubated for 20 mins followed by substrate addition and measured after 80 mins by Kinase-Glo assay
50022609	3	ChEMBL_2572599	Inhibition of PI3Kbeta (unknown origin) using PtdIns(4,5)P2 as substrate preincubated for 20 mins followed by substrate addition and measured after 80 mins by Kinase-Glo assay
50022609	4	ChEMBL_2572600	Inhibition of PI3Kdelta (unknown origin) using PtdIns(4,5)P2 as substrate preincubated for 20 mins followed by substrate addition and measured after 80 mins by Kinase-Glo assay
50022609	5	ChEMBL_2572601	Inhibition of PI3Kgamma (unknown origin) using PtdIns(4,5)P2 as substrate preincubated for 20 mins followed by substrate addition and measured after 80 mins by Kinase-Glo assay
50022609	6	ChEMBL_2572602	Inhibition of PIP5K1A (unknown origin) using D-myo-PIP as substrate incubated for 45 mins by ADP-Glo assay
50022609	7	ChEMBL_2572603	Inhibition of PIP5K1C (unknown origin) using D-myo-PIP as substrate incubated for 45 mins by ADP-Glo assay
50022609	8	ChEMBL_2572604	Inhibition of PI4Kalpha (unknown origin) using D-myo-PtdIns as substrate incubated for 45 mins by ADP-Glo assay
50022609	9	ChEMBL_2572605	Inhibition of PI4Kbeta (unknown origin) using D-myo-PtdIns as substrate incubated for 45 mins by ADP-Glo assay
50022609	10	ChEMBL_2572606	Inhibition of human PI4KB using PI as substrate by ADP-Glo assay
50022609	11	ChEMBL_2572607	Inhibition of human PIK3CA/PIK3R1 using PIP2/PS as substrate by ADP-Glo assay
50022609	12	ChEMBL_2572608	Inhibition of human PIK3CB/PIK3R1 using PIP2/PS as substrate by ADP-Glo assay
50022609	13	ChEMBL_2572609	Inhibition of human PIK3CD/PIK3R1 using PIP2/PS as substrate by ADP-Glo assay
50022609	14	ChEMBL_2572610	Inhibition of human PIK3CG using PIP2/PS as substrate by ADP-Glo assay
50022609	15	ChEMBL_2572611	Inhibition of human PIK3C2A using PIP2/PS as substrate by ADP-Glo assay
50022609	16	ChEMBL_2572612	Inhibition of human PIK3C2B using PIP2/PS as substrate by ADP-Glo assay
50022609	17	ChEMBL_2572613	Inhibition of human PIK3C2G using PIP2/PS as substrate by ADP-Glo assay
50022609	18	ChEMBL_2572614	Inhibition of human PIK3C3 using PI as substrate by ADP-Glo assay
50022609	19	ChEMBL_2572615	Inhibition of human PI4K2B using PI/PS as substrate by ADP-Glo assay
50022609	20	ChEMBL_2572616	Inhibition of human PI4K2A using PI/PS as substrate by ADP-Glo assay
50022609	21	ChEMBL_2572617	Inhibition of human PIP5K1A using PI/PS as substrate by ADP-Glo assay
50022609	22	ChEMBL_2572618	Inhibition of human PIP5K1C using PI/PS as substrate by ADP-Glo assay
50022610	1	ChEMBL_2572667	Binding affinity to recombinant human ROS1 assessed as inhibition constant in presence of ATP by microfluidic mobility shift assay
50022610	2	ChEMBL_2572668	Binding affinity to recombinant ALK (unknown origin) assessed as inhibition constant in presence of ATP by microfluidic mobility shift assay
50022610	3	ChEMBL_2572669	Binding affinity to recombinant ALK L1196M mutant (unknown origin) assessed as inhibition constant in presence of ATP by microfluidic mobility shift assay
50022610	4	ChEMBL_2572670	Inhibition of GST-tagged recombinant LTK (450 to 864 residues) (unknown origin) expressed in Insect cell
50022610	5	ChEMBL_2572671	Inhibition of His-tagged recombinant FER (541 to 822 residues) (unknown origin) expressed in baculovirus expression system
50022610	6	ChEMBL_2572672	Inhibition of His-tagged recombinant full length FES (unknown origin) expressed in baculovirus expression system
50022610	7	ChEMBL_2572673	Inhibition of GST-tagged recombinant full length PTK2B (unknown origin) expressed in Insect cell
50022610	8	ChEMBL_2572674	Inhibition of GST-tagged recombinant TNK2 (110 to 476 residues) (unknown origin) expressed in Insect cell
50022610	9	ChEMBL_2572675	Inhibition of GST-tagged recombinant full length PTK2 (unknown origin) expressed in Insect cell
50022610	10	ChEMBL_2572676	Inhibition of His-tagged recombinant TRKB (526 to 838 residues) (unknown origin) expressed in Insect cell
50022610	11	ChEMBL_2572677	Inhibition of His-tagged recombinant TRKA (441 to 796 residues) (unknown origin) expressed in Insect cell
50022610	12	ChEMBL_2572678	Inhibition of His-tagged recombinant TRKC (510 to 825 residues) (unknown origin) expressed in baculovirus expression system
50022610	13	ChEMBL_2572679	Inhibition of GST-tagged recombinant full length FRK (unknown origin) expressed in baculovirus expression system
50022610	14	ChEMBL_2572680	Inhibition of GST-tagged recombinant EGFR L858R/T790M mutant (668 to 1210 residues) (unknown origin) expressed in Insect cell
50022610	15	ChEMBL_2572681	Inhibition of GST-tagged recombinant EGFR T790M mutant (668 to 1210 residues) (unknown origin) expressed in Insect cell
50022610	16	ChEMBL_2572682	Inhibition of GST-tagged recombinant JAK2 (809 to 1153 residues) (unknown origin) expressed in Insect cell
50022610	17	ChEMBL_2572701	Inhibition of SLC34A2-ROS1 fusion protein expressed in human HCC78 cells assessed as inhibition of phosphorylated ROS1 incubated for 1 hr by ELISA analysis
50022610	18	ChEMBL_2572702	Inhibition of CD74-ROS1 expressed in mouse BaF3 cells assessed as inhibition of phosphorylated ROS1 incubated for 1 hr by ELISA analysis
50022610	19	ChEMBL_2572705	Inhibition of CD74-ROS1 expressed in mouse NIH3T3 cells assessed as inhibition of phosphorylated ROS1 incubated for 1 hr by ELISA analysis
50022610	20	ChEMBL_2572712	Binding affinity to recombinant human ROS1 L2026M mutant assessed as inhibition constant in presence of ATP by microfluidic mobility shift assay
50022610	21	ChEMBL_2572713	Binding affinity to recombinant human ROS1 G2032R mutant assessed as inhibition constant in presence of ATP by microfluidic mobility shift assay
50022611	1	ChEMBL_2572805	Binding affinity to Bcl-2 (unknown origin) assessed as dissociation constant incubated for 1 hrs by TR-FRET assay
50022611	2	ChEMBL_2572806	Binding affinity to Bcl-xl (unknown origin) assessed as dissociation constant incubated for 1 hrs by TR-FRET assay
50022611	3	ChEMBL_2572807	Binding affinity to MCL-1 (unknown origin) assessed as dissociation constant incubated for 1 hrs by TR-FRET assay
50022611	4	ChEMBL_2572808	Binding affinity to BCL-W (unknown origin) assessed as dissociation constant incubated for 1 hrs by TR-FRET assay
50022612	1	ChEMBL_2573131	Inhibition of C-terminal hexahistidine tagged bovine GRK2-S670A mutant in the presence of ATP
50022612	2	ChEMBL_2573132	Inhibition of human GRK3 in the presence of ATP
50022613	1	ChEMBL_2573137	Binding affinity to LSD1 (unknown origin) using H3K4me2 as substrate assessed as apparent inhibition constant by HRP-coupled amplex red assay
50022613	2	ChEMBL_2573141	Binding affinity to D-amino acid oxidase (unknown origin) assessed as apparent inhibition constant
50022613	3	ChEMBL_2573168	Inhibition of MAO-B (unknown origin)
50022613	4	ChEMBL_2573170	Inhibition of PDE4B (unknown origin)
50022613	5	ChEMBL_2573171	Inhibition of PDE3A (unknown origin)
50022613	6	ChEMBL_2573172	Inhibition of AChE (unknown origin)
50022613	7	ChEMBL_2573173	Inhibition of KCNQ1/minK (unknown origin)
50022613	8	ChEMBL_2573174	Inhibition of Kv1.5 (unknown origin)
50022613	9	ChEMBL_2573177	Inhibition of Nav1.5 (unknown origin)
50022613	10	ChEMBL_2573181	Inhibition of Aurora B (unknown origin)
50022613	11	ChEMBL_2573182	Inhibition of LCK (unknown origin)
50022613	12	ChEMBL_2573183	Inhibition of PI3Kgamma (unknown origin)
50022613	13	ChEMBL_2573184	Inhibition of NET (unknown origin)
50022613	14	ChEMBL_2573185	Inhibition of SERT (unknown origin)
50022613	15	ChEMBL_2573186	Inhibition of OATP1B1 (unknown origin)
50022613	16	ChEMBL_2573187	Activation of PXR (unknown origin)
50022613	17	ChEMBL_2573188	Activation of AhR (unknown origin)
50022614	1	ChEMBL_2573560	Inhibition of recombinant BTK (unknown origin) preincubated for 1 hr in presence of ATP by immobilized metal ion affinity-based fluorescence polarization assay
50022614	2	ChEMBL_2573561	Inhibition of recombinant BMX (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	3	ChEMBL_2573562	Inhibition of recombinant ITK (unknown origin) preincubated for 1 hr in presence of ATP by immobilized metal ion affinity-based fluorescence polarization assay
50022614	4	ChEMBL_2573563	Inhibition of recombinant TEC (unknown origin) preincubated for 2 hrs in presence of ATP by LanthaScreen assay
50022614	5	ChEMBL_2573564	Inhibition of recombinant TXK (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	6	ChEMBL_2573565	Inhibition of recombinant EGFR (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	7	ChEMBL_2573566	Inhibition of recombinant ERBB2 (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	8	ChEMBL_2573567	Inhibition of recombinant ERBB4 (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	9	ChEMBL_2573568	Inhibition of recombinant JAK3 (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	10	ChEMBL_2573569	Inhibition of recombinant BLK (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	11	ChEMBL_2573570	Inhibition of recombinant FGR (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	12	ChEMBL_2573571	Inhibition of recombinant FYN (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	13	ChEMBL_2573572	Inhibition of recombinant HCK (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	14	ChEMBL_2573573	Inhibition of recombinant LCK (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	15	ChEMBL_2573574	Inhibition of recombinant LYN (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	16	ChEMBL_2573575	Inhibition of recombinant SRC (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022614	17	ChEMBL_2573576	Inhibition of recombinant YES1 (unknown origin) preincubated for 1 hr in presence of ATP by Z-Lyte assay
50022615	1	ChEMBL_2573632	Inhibition of Flag-tagged full-length MST2 (unknown origin) transfected in HEK293T cells assessed as MOB1a phosphorylation level incubated for 3 hrs by immunoblot analysis
50022615	2	ChEMBL_2573633	Inhibition of Flag-tagged full-length MST1 (unknown origin) transfected in HEK293T cells assessed as MOB1a phosphorylation level incubated for 3 hrs by immunoblot analysis
50022615	3	ChEMBL_2573636	Inhibition of recombinant His-tagged full-length MST1 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 10 uM ATP by immunoblot analysis
50022615	4	ChEMBL_2573637	Inhibition of recombinant His-tagged full-length MST1 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 30 uM ATP by immunoblot analysis
50022615	5	ChEMBL_2573638	Inhibition of recombinant His-tagged full-length MST1 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 100 uM ATP by immunoblot analysis
50022615	6	ChEMBL_2573639	Inhibition of recombinant His-tagged full-length MST1 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 300 uM ATP by immunoblot analysis
50022615	7	ChEMBL_2573640	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 10 uM ATP by immunoblot analysis
50022615	8	ChEMBL_2573641	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 30 uM ATP by immunoblot analysis
50022615	9	ChEMBL_2573642	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 100 uM ATP by immunoblot analysis
50022615	10	ChEMBL_2573643	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as MOB1a phosphorylation level incubated for 30 min in the presence of 300 uM ATP by immunoblot analysis
50022615	11	ChEMBL_2574113	Binding affinity to MST1 (unknown origin) assessed as dissociation constant
50022615	12	ChEMBL_2574114	Binding affinity to MST2 (unknown origin) assessed as dissociation constant
50022615	13	ChEMBL_2574115	Binding affinity to MST3 (unknown origin) assessed as dissociation constant
50022615	14	ChEMBL_2574116	Binding affinity to MST4 (unknown origin) assessed as dissociation constant
50022615	15	ChEMBL_2574117	Binding affinity to phosphorylated ABL1 M351T mutant (unknown origin) assessed as dissociation constant
50022615	16	ChEMBL_2574118	Binding affinity to phosphorylated ABL1 Q252H mutant (unknown origin) assessed as dissociation constant
50022615	17	ChEMBL_2574120	Binding affinity to AURKA (unknown origin) assessed as dissociation constant
50022615	18	ChEMBL_2574121	Binding affinity to AURKB (unknown origin) assessed as dissociation constant
50022615	19	ChEMBL_2574122	Binding affinity to DCAMKL1 (unknown origin) assessed as dissociation constant
50022615	20	ChEMBL_2574123	Binding affinity to JAK1 JH2domain-pseudokinase (unknown origin) assessed as dissociation constant
50022615	21	ChEMBL_2574124	Binding affinity to MAP3K2 (unknown origin) assessed as dissociation constant
50022615	22	ChEMBL_2574125	Binding affinity to MAP3K3 (unknown origin) assessed as dissociation constant
50022615	23	ChEMBL_2574126	Binding affinity to PIK3CA H1047L mutant (unknown origin) assessed as dissociation constant
50022615	24	ChEMBL_2574127	Binding affinity to PIK3CG (unknown origin) assessed as dissociation constant
50022615	25	ChEMBL_2574128	Binding affinity to PIP5K1C (unknown origin) assessed as dissociation constant
50022615	26	ChEMBL_2574129	Binding affinity to PIP5K2C (unknown origin) assessed as dissociation constant
50022615	27	ChEMBL_2574130	Binding affinity to RIPK4 (unknown origin) assessed as dissociation constant
50022615	28	ChEMBL_2574131	Binding affinity to TAOK1 (unknown origin) assessed as dissociation constant
50022615	29	ChEMBL_2574132	Binding affinity to TAOK2 (unknown origin) assessed as dissociation constant
50022615	30	ChEMBL_2574133	Binding affinity to TAOK3 (unknown origin) assessed as dissociation constant
50022615	31	ChEMBL_2574134	Binding affinity to TYK2 JH1domain-catalytic (unknown origin) assessed as dissociation constant
50022615	32	ChEMBL_2574135	Binding affinity to ULK2 (unknown origin) assessed as dissociation constant
50022615	33	ChEMBL_2574136	Inhibition of MST1 (unknown origin) in presence of ATP by enzymatic assay
50022615	34	ChEMBL_2574137	Inhibition of MST2 (unknown origin) in presence of ATP by enzymatic assay
50022615	35	ChEMBL_2574138	Inhibition of MST3 (unknown origin) in presence of ATP by enzymatic assay
50022615	36	ChEMBL_2574139	Inhibition of MST4 (unknown origin) in presence of ATP by enzymatic assay
50022615	37	ChEMBL_2574140	Inhibition of phosphorylated ABL1 M351T mutant (unknown origin) in presence of ATP by enzymatic assay
50022615	38	ChEMBL_2574141	Inhibition of phosphorylated ABL1 Q252H mutant (unknown origin) in presence of ATP by enzymatic assay
50022615	39	ChEMBL_2574143	Inhibition of AURKA (unknown origin) in presence of ATP by enzymatic assay
50022615	40	ChEMBL_2574144	Inhibition of AURKB (unknown origin) in presence of ATP by enzymatic assay
50022615	41	ChEMBL_2574145	Inhibition of DCAMKL1 (unknown origin) in presence of ATP by enzymatic assay
50022615	42	ChEMBL_2574146	Inhibition of JAK1 JH2domain-pseudokinase (unknown origin) in presence of ATP by enzymatic assay
50022615	43	ChEMBL_2574147	Inhibition of MAP3K2 (unknown origin) in presence of ATP by enzymatic assay
50022615	44	ChEMBL_2574148	Inhibition of MAP3K3 (unknown origin) in presence of ATP by enzymatic assay
50022615	45	ChEMBL_2574150	Inhibition of PIK3CG (unknown origin) in presence of ATP by enzymatic assay
50022615	46	ChEMBL_2574151	Inhibition of PIP5K1C (unknown origin) in presence of ATP by enzymatic assay
50022615	47	ChEMBL_2574154	Inhibition of TAOK1 (unknown origin) in presence of ATP by enzymatic assay
50022615	48	ChEMBL_2574155	Inhibition of TAOK2 (unknown origin) in presence of ATP by enzymatic assay
50022615	49	ChEMBL_2574156	Inhibition of TAOK3 (unknown origin) in presence of ATP by enzymatic assay
50022615	50	ChEMBL_2574157	Inhibition of TYK2 JH1domain-catalytic (unknown origin) in presence of ATP by enzymatic assay
50022615	51	ChEMBL_2574158	Inhibition of ULK2 (unknown origin) in presence of ATP by enzymatic assay
50022615	52	ChEMBL_2574198	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as MOB1 phosphorylation level incubated for 15 min by immunoblot analysis
50022615	53	ChEMBL_2574199	Inhibition of recombinant His-tagged full-length MST2 Y101F mutant (unknown origin) expressing in Escherichia coli assessed as MOB1 phosphorylation level incubated for 15 min by immunoblot analysis
50022615	54	ChEMBL_2574200	Inhibition of recombinant His-tagged full-length MST2 D109A mutant (unknown origin) expressing in Escherichia coli assessed as MOB1 phosphorylation level incubated for 15 min by immunoblot analysis
50022615	55	ChEMBL_2574201	Inhibition of recombinant His-tagged full-length MST2 Y101F/D109A mutant (unknown origin) expressing in Escherichia coli assessed as MOB1 phosphorylation level incubated for 15 min by immunoblot analysis
50022615	56	ChEMBL_2574234	Inhibition of recombinant His-tagged full-length MST1 (unknown origin) expressing in Escherichia coli assessed as MOB1 phosphorylation level incubated for 15 min by immunoblot analysis
50022615	57	ChEMBL_2574238	Inhibition of recombinant His-tagged full-length MST2 (unknown origin) expressing in Escherichia coli assessed as GST-tagged MOB1a phosphorylation level incubated for 30 mins by immunoblot analysis
50022616	1	ChEMBL_2574360	Inhibition of EGFR C797S/T790M/L858R mutant (unknown origin) incubated for 10 mins in presence of ATP by ADP-Glo based luminometer analysis
50022616	2	ChEMBL_2574361	Inhibition of EGFR (unknown origin) incubated for 10 mins in presence of ATP by ADP-Glo based luminometer analysis
50022617	1	ChEMBL_2574437	Inhibition of recombinant human JAK1 (845 to 1142 residues) expressed in Sf9 insect cells by Cheng-Prusoff equation analysis
50022617	2	ChEMBL_2574438	Inhibition of recombinant human JAK2 expressed in Sf9 insect cells by Cheng-Prusoff equation analysis
50022617	3	ChEMBL_2574439	Inhibition of recombinant human JAK3 (811 to 1103 residues) expressed in Sf9 insect cells by Cheng-Prusoff equation analysis
50022617	4	ChEMBL_2574440	Inhibition of N-terminal/C-terminal his-tagged recombinant human TYK2 (880 to 1185 residues) expressed in Sf9 insect cells by Cheng-Prusoff equation analysis
50022617	5	ChEMBL_2574444	Inhibition of recombinant human JAK1 (845 to 1142 residues) expressed in Sf9 insect cells in presence of 0.1 mM of ATP by HTRF analysis
50022617	6	ChEMBL_2574445	Inhibition of recombinant human JAK1 (845 to 1142 residues) expressed in Sf9 insect cells in presence of 0.001 mM of ATP by HTRF analysis
50022617	7	ChEMBL_2574446	Inhibition of recombinant human JAK2 expressed in Sf9 insect cells in presence of 0.1 mM ATP by HTRF analysis
50022617	8	ChEMBL_2574447	Inhibition of recombinant human JAK2 expressed in Sf9 insect cells in presence of 0.001 mM ATP by HTRF analysis
50022617	9	ChEMBL_2574448	Inhibition of recombinant human JAK2 expressed in Sf9 insect cells by HTRF analysis
50022617	10	ChEMBL_2574449	Inhibition of recombinant human JAK3 (811 to 1103 residues) expressed in Sf9 insect cells in presence of 0.1 mM ATP by HTRF analysis
50022617	11	ChEMBL_2574450	Inhibition of recombinant human JAK3 (811 to 1103 residues) expressed in Sf9 insect cells in presence of 0.001 mM ATP by HTRF analysis
50022617	12	ChEMBL_2574451	Inhibition of recombinant human JAK3 (811 to 1103 residues) expressed in Sf9 insect cells by TR-FRET analysis
50022617	13	ChEMBL_2574452	Inhibition of N-terminal/C-terminal his-tagged recombinant human TYK2 (880 to 1185 residues) expressed in Sf9 insect cells in presence of 0.1 mM by HTRF analysis
50022617	14	ChEMBL_2574453	Inhibition of N-terminal/C-terminal his-tagged recombinant human TYK2 (880 to 1185 residues) expressed in Sf9 insect cells in presence of 0.001 mM by HTRF analysis
50022617	15	ChEMBL_2574455	Inhibition of ACVR1 (unknown origin) by TR-FRET assay
50022617	16	ChEMBL_2574456	Inhibition of Akt1 (unknown origin) by TR-FRET assay
50022617	17	ChEMBL_2574457	Inhibition of ALK (unknown origin) by TR-FRET assay
50022617	18	ChEMBL_2574459	Inhibition of Aurora 1 (unknown origin) by TR-FRET assay
50022617	19	ChEMBL_2574460	Inhibition of Aurora 2 (unknown origin) by TR-FRET assay
50022617	20	ChEMBL_2574461	Inhibition of BRAF (unknown origin) by TR-FRET assay
50022617	21	ChEMBL_2574462	Inhibition of BTK (unknown origin) by TR-FRET assay
50022617	22	ChEMBL_2574463	Inhibition of CAMK1D (unknown origin) by TR-FRET assay
50022617	23	ChEMBL_2574464	Inhibition of CAMK2A (unknown origin) by TR-FRET assay
50022617	24	ChEMBL_2574465	Inhibition of CAMKK2 (unknown origin) by TR-FRET assay
50022617	25	ChEMBL_2574466	Inhibition of CDK11 (unknown origin) by TR-FRET assay
50022617	26	ChEMBL_2574467	Inhibition of CDK2 (unknown origin) by TR-FRET assay
50022617	27	ChEMBL_2574468	Inhibition of CDK7/Cyclin H/Mat1 (unknown origin) by TR-FRET assay
50022617	28	ChEMBL_2574469	Inhibition of CDK8/Cyclin C (unknown origin) by TR-FRET assay
50022617	29	ChEMBL_2574470	Inhibition of CDK9/Cyclin K (unknown origin) by TR-FRET assay
50022617	30	ChEMBL_2574471	Inhibition of CLK2 (unknown origin) by TR-FRET assay
50022617	31	ChEMBL_2574472	Inhibition of Ck1alpha1 (unknown origin) by TR-FRET assay
50022617	32	ChEMBL_2574473	Inhibition of MET (unknown origin) by TR-FRET assay
50022617	33	ChEMBL_2574474	Inhibition of CSF1R (unknown origin) by TR-FRET assay
50022617	34	ChEMBL_2574475	Inhibition of DDR1 (unknown origin) by TR-FRET assay
50022617	35	ChEMBL_2574476	Inhibition of DYRK1A (unknown origin) by TR-FRET assay
50022617	36	ChEMBL_2574477	Inhibition of DYRK1B (unknown origin) by TR-FRET assay
50022617	37	ChEMBL_2574478	Inhibition of EGFR (unknown origin) by TR-FRET assay
50022617	38	ChEMBL_2574479	Inhibition of Erk2 (unknown origin) by TR-FRET assay
50022617	39	ChEMBL_2574480	Inhibition of FAK (unknown origin) by TR-FRET assay
50022617	40	ChEMBL_2574481	Inhibition of FGFR1 (unknown origin) by TR-FRET assay
50022617	41	ChEMBL_2574482	Inhibition of FLT1 (unknown origin) by TR-FRET assay
50022617	42	ChEMBL_2574483	Inhibition of Fyn (unknown origin) by TR-FRET assay
50022617	43	ChEMBL_2574484	Inhibition of GRK5 (unknown origin) by TR-FRET assay
50022617	44	ChEMBL_2574485	Inhibition of Gsk3a (unknown origin) by TR-FRET assay
50022617	45	ChEMBL_2574486	Inhibition of Gsk3b (unknown origin) by TR-FRET assay
50022617	46	ChEMBL_2574487	Inhibition of IGF1R (unknown origin) by TR-FRET assay
50022617	47	ChEMBL_2574488	Inhibition of IKKE (unknown origin) by TR-FRET assay
50022617	48	ChEMBL_2574489	Inhibition of InsR (unknown origin) by TR-FRET assay
50022617	49	ChEMBL_2574490	Inhibition of JNK1 (unknown origin) by TR-FRET assay
50022617	50	ChEMBL_2574491	Inhibition of JNK2 (unknown origin) by TR-FRET assay
50022617	51	ChEMBL_2574492	Inhibition of KDR (unknown origin) by TR-FRET assay
50022617	52	ChEMBL_2574493	Inhibition of LCK (unknown origin) by TR-FRET assay
50022617	53	ChEMBL_2574494	Inhibition of LTK (unknown origin) by TR-FRET assay
50022617	54	ChEMBL_2574495	Inhibition of MAP2K3 (unknown origin) by TR-FRET assay
50022617	55	ChEMBL_2574496	Inhibition of MAP3K10 (unknown origin) by TR-FRET assay
50022617	56	ChEMBL_2574497	Inhibition of MAP4K2 (unknown origin) by TR-FRET assay
50022617	57	ChEMBL_2574498	Inhibition of MAP4K4 (unknown origin) by TR-FRET assay
50022617	58	ChEMBL_2574499	Inhibition of MEK1 (unknown origin) by TR-FRET assay
50022617	59	ChEMBL_2574500	Inhibition of MEK2 (unknown origin) by TR-FRET assay
50022617	60	ChEMBL_2574501	Inhibition of MST1 (unknown origin) by TR-FRET assay
50022617	61	ChEMBL_2574502	Inhibition of Nek2 (unknown origin) by TR-FRET assay
50022617	62	ChEMBL_2574503	Inhibition of PAK4 (unknown origin) by TR-FRET assay
50022617	63	ChEMBL_2574504	Inhibition of PDGFRA V561D (unknown origin) by TR-FRET assay
50022617	64	ChEMBL_2574505	Inhibition of PDGFRB (unknown origin) by TR-FRET assay
50022617	65	ChEMBL_2574506	Inhibition of Pim1 (unknown origin) by TR-FRET assay
50022617	66	ChEMBL_2574507	Inhibition of Pim2 (unknown origin) by TR-FRET assay
50022617	67	ChEMBL_2574508	Inhibition of PKA (unknown origin) by TR-FRET assay
50022617	68	ChEMBL_2574509	Inhibition of PKCtheta (unknown origin) by TR-FRET assay
50022617	69	ChEMBL_2574510	Inhibition of PKCzeta (unknown origin) by TR-FRET assay
50022617	70	ChEMBL_2574511	Inhibition of PKG1A (unknown origin) by TR-FRET assay
50022617	71	ChEMBL_2574512	Inhibition of PLK3 (unknown origin) by TR-FRET assay
50022617	72	ChEMBL_2574513	Inhibition of PRKCN (unknown origin) by TR-FRET assay
50022617	73	ChEMBL_2574514	Inhibition of p38 alpha (unknown origin) by TR-FRET assay
50022617	74	ChEMBL_2574515	Inhibition of RET (unknown origin) by TR-FRET assay
50022617	75	ChEMBL_2574516	Inhibition of Rock1 (unknown origin) by TR-FRET assay
50022617	76	ChEMBL_2574517	Inhibition of Rock2 (unknown origin) by TR-FRET assay
50022617	77	ChEMBL_2574518	Inhibition of Rsk2 (unknown origin) by TR-FRET assay
50022617	78	ChEMBL_2574519	Inhibition of SGK1 (unknown origin) by TR-FRET assay
50022617	79	ChEMBL_2574520	Inhibition of Src (unknown origin) by TR-FRET assay
50022617	80	ChEMBL_2574521	Inhibition of STK16 (unknown origin) by TR-FRET assay
50022617	81	ChEMBL_2574522	Inhibition of STK33 (unknown origin) by TR-FRET assay
50022617	82	ChEMBL_2574523	Inhibition of Syk (unknown origin) by TR-FRET assay
50022617	83	ChEMBL_2574524	Inhibition of TAOK2 (unknown origin) by TR-FRET assay
50022617	84	ChEMBL_2574525	Inhibition of TBK1 (unknown origin) by TR-FRET assay
50022617	85	ChEMBL_2574526	Inhibition of TNK2 (unknown origin) by TR-FRET assay
50022617	86	ChEMBL_2574527	Inhibition of TrkA (unknown origin) by TR-FRET assay
50022617	87	ChEMBL_2574528	Inhibition of TrkB (unknown origin) by TR-FRET assay
50022617	88	ChEMBL_2574529	Inhibition of TrkC (unknown origin) by TR-FRET assay
50022617	89	ChEMBL_2574530	Inhibition of TTK (unknown origin) by TR-FRET assay
50022617	90	ChEMBL_2574531	Inhibition of TYRO3 (unknown origin) by TR-FRET assay
50022617	91	ChEMBL_2574532	Inhibition of Wee1 (unknown origin) by TR-FRET assay
50022617	92	ChEMBL_2574533	Inhibition of ZIPK (unknown origin) by TR-FRET assay
50022617	93	ChEMBL_2574534	Inhibition of JAK1 in mouse BaF3 cells
50022617	94	ChEMBL_2574535	Inhibition of JAK2 in mouse BaF3 cells
50022617	95	ChEMBL_2574536	Inhibition of JAK3 in mouse BaF3 cells
50022617	96	ChEMBL_2574537	Inhibition of TYK2 in mouse BaF3 cells
50022617	97	ChEMBL_2574541	Inhibition of JAK1 in human TF-1 cells assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometry analysis
50022617	98	ChEMBL_2574542	Inhibition of JAK1 in human CD14-positive cell assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometry analysis
50022617	99	ChEMBL_2574543	Inhibition of JAK1 in human CD3-positive T cell assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometry analysis
50022617	100	ChEMBL_2574544	Inhibition of JAK1 in human TF-1 cells assessed as reduction in OSM-induced STAT3 phosphorylation by flow cytometry analysis
50022617	101	ChEMBL_2574545	Inhibition of JAK1 in human UT7 cells assessed as reduction in Epo-induced STAT5 phosphorylation by flow cytometry analysis
50022617	102	ChEMBL_2574546	Inhibition of JAK1/JAK3 in human T cell assessed as reduction in IL-2-induced STAT5 phosphorylation by flow cytometry analysis
50022617	103	ChEMBL_2574547	Inhibition of JAK1/JAK3 in human T cell assessed as reduction in IL-15-induced STAT5 phosphorylation by flow cytometry analysis
50022617	104	ChEMBL_2574548	Inhibition of JAK1/JAK2 in human CD14-positive cell assessed as reduction in IFNgamma-induced STAT1 phosphorylation by flow cytometry analysis
50022617	105	ChEMBL_2574549	Inhibition of JAK1/JAK3 in human HEKa cells assessed as reduction in IL-4-induced STAT6 phosphorylation by flow cytometry analysis
50022617	106	ChEMBL_2574550	Inhibition of JAK1/TYK2 in human HEKa cells assessed as reduction in IL-13-induced STAT6 phosphorylation by flow cytometry analysis
50022617	107	ChEMBL_2574551	Inhibition of JAK1/JAK2 in human HEKa cells assessed as reduction in IL-31-induced STAT3 phosphorylation by flow cytometry analysis
50022618	1	ChEMBL_2574579	Covalent-allosteric inhibition of full length N-terminal his6-tagged AKT (2 to 446 residues) (unknown origin) expressed in Spodoptera frugiperda Sf9 cells by HTRF analysis
50022618	2	ChEMBL_2574580	Covalent-allosteric inhibition of full length N-terminal his6-tagged AKT (2 to 446 residues) (unknown origin) expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition constant
50022619	1	ChEMBL_2574699	Binding affinity to L3MBTL3 (unknown origin) by ITC assay
50022619	2	ChEMBL_2574700	Inhibition of L3MBTL3 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	3	ChEMBL_2574706	Inhibition of GFP-3MBT tagged L3MBTL3 (unknown origin) expressed in HEK293 cells assessed as disruption of foci formation by immunofluorescence assay
50022619	4	ChEMBL_2574707	Inhibition of MBT domain containing MBTD1 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	5	ChEMBL_2574708	Inhibition of MBT domain containing SFMBT (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	6	ChEMBL_2574709	Inhibition of MBT domain containing L3MBTL4 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	7	ChEMBL_2574710	Inhibition of MBT domain containing L3MBTL1 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	8	ChEMBL_2574715	Inhibition of GFP-3MBT tagged L3MBTL3 (unknown origin) expressed in HEK293 cells assessed as reduction in recovery of fluorescence intensity measured up to 60 secs by FRAP assay
50022619	9	ChEMBL_2574727	Inhibition of chromo domain containing CBX7 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	10	ChEMBL_2574728	Inhibition of tudor domain containing 53BP1 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	11	ChEMBL_2574729	Inhibition of tudor domain containing UHRF1 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	12	ChEMBL_2574730	Inhibition of PHD finger domain containing PHF23 (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	13	ChEMBL_2574731	Inhibition of PHD finger domain containing JARID1A (unknown origin) using H4K20me2 peptide by Alpha-Screen methylated histone peptide competition assay
50022619	14	ChEMBL_2574732	Binding affinity to L3MBTL1 (unknown origin) by ITC assay
50022619	15	ChEMBL_2574733	Binding affinity to 53BP1 (unknown origin) by ITC assay
50022619	16	ChEMBL_2574734	Binding affinity to PHF20 (unknown origin) by ITC assay
50022619	17	ChEMBL_2574736	Binding affinity to tudor domain containing PHF20L1 (unknown origin) by ITC assay
50022619	18	ChEMBL_2574738	Binding affinity to MRG15 (unknown origin) by ITC assay
50022619	19	ChEMBL_2574749	Inhibition of alpha2C receptor (unknown origin) by radioligand binding assay
50022619	20	ChEMBL_2574750	Inhibition of DAT (unknown origin) by radioligand binding assay
50022619	21	ChEMBL_2574751	Inhibition of KOR (unknown origin) by radioligand binding assay
50022619	22	ChEMBL_2574752	Inhibition of M1 receptor (unknown origin) by radioligand binding assay
50022619	23	ChEMBL_2574753	Inhibition of M2 receptor (unknown origin) by radioligand binding assay
50022619	24	ChEMBL_2574754	Inhibition of M3 receptor (unknown origin) by radioligand binding assay
50022619	25	ChEMBL_2574755	Inhibition of M4 receptor (unknown origin) by radioligand binding assay
50022619	26	ChEMBL_2574756	Inhibition of M5 receptor (unknown origin) by radioligand binding assay
50022619	27	ChEMBL_2574769	Binding affinity to GFP-tagged full length L3MBTL3 (unknown origin) assessed as dissociation constant at 1 uM (Rvb = 0.037549815 um2/s)
50022619	28	ChEMBL_2574770	Binding affinity to GFP-tagged full length L3MBTL3 (unknown origin) assessed as dissociation constant at 0.5 uM (Rvb = 0.037549815 um2/s)
50022619	29	ChEMBL_2574771	Binding affinity to GFP-tagged full length L3MBTL3 (unknown origin) assessed as dissociation constant at 0.1 uM (Rvb = 0.037549815 um2/s)
50022619	30	ChEMBL_2574772	Binding affinity to GFP-tagged full length L3MBTL3 (unknown origin) assessed as dissociation constant at 0.01 uM (Rvb = 0.037549815 um2/s)
50022619	31	ChEMBL_2574773	Binding affinity to GFP-3MBT tagged L3MBTL3 (unknown origin) assessed as dissociation constant at 1 uM (Rvb = 0.1272 um2/s)
50022619	32	ChEMBL_2574774	Binding affinity to GFP-3MBT tagged L3MBTL3 (unknown origin) assessed as dissociation constant at 0.5 uM (Rvb = 0.1272 um2/s)
50022619	33	ChEMBL_2574775	Binding affinity to GFP-3MBT tagged L3MBTL3 (unknown origin) assessed as dissociation constant at 0.1 uM (Rvb = 0.1272 um2/s)
50022619	34	ChEMBL_2574776	Binding affinity to GFP-3MBT tagged L3MBTL3 (unknown origin) assessed as dissociation constant at 0.05 uM (Rvb = 0.1272 um2/s)
50022619	35	ChEMBL_2574777	Binding affinity to GFP-3MBT tagged L3MBTL3 (unknown origin) assessed as dissociation constant at 0.01 uM (Rvb = 0.1272 um2/s)
50022620	1	ChEMBL_2575097	Inhibition of human EZH1
50022620	2	ChEMBL_2575098	Inhibition of human EZH2
50022622	2	ChEMBL_2576029	Binding affinity to BAZ2B (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	3	ChEMBL_2576030	Binding affinity to KIAA1240 (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	4	ChEMBL_2576031	Binding affinity to CREBBP (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	5	ChEMBL_2576032	Binding affinity to BRPF1B (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	6	ChEMBL_2576033	Binding affinity to TAF1 (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	7	ChEMBL_2576034	Binding affinity to FALZ (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	8	ChEMBL_2576035	Binding affinity to CECR2 (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	9	ChEMBL_2576036	Binding affinity to BRD7 (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	10	ChEMBL_2576037	Binding affinity to BRD9 (unknown origin) assessed as dissociation constant by bromoKdselect analysis
50022622	11	ChEMBL_2576039	Inhibition of BRD4 BD2 (unknown origin) using acetylated H4 K5/8/12/16 as substrate incubated for 60 mins by alpha-screen assay
50022622	12	ChEMBL_2576040	Inhibition of BRD4 BD1 (unknown origin) using acetylated H4 K5/8/12/16 as substrate incubated for 60 mins by alpha-screen assay
50022622	13	ChEMBL_2576041	Inhibition of BRD7 (unknown origin) using histone H3 K9/14/18/23Ac (1-28) peptide as substrate incubated for 60 mins by alpha-screen assay
50022622	14	ChEMBL_2576042	Inhibition of amino terminal GST tagged BRD9 (aa 130-259 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 K9/14/18/23Ac (1-28) peptide as substrate incubated for 60 mins by alpha-screen assay
50022623	1	ChEMBL_2576392	Inhibition of EZH2 (unknown origin)
50022623	2	ChEMBL_2576393	Inhibition of EZH1 (unknown origin)
50022624	1	ChEMBL_2576947	Inhibition of HDAC in human EPN10 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	2	ChEMBL_2576948	Inhibition of HDAC in human EPN9 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	3	ChEMBL_2576949	Inhibition of HDAC in human EPN8 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	4	ChEMBL_2576950	Inhibition of HDAC in human EPN1 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	5	ChEMBL_2576951	Inhibition of HDAC in human DKFZ-EP1 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	6	ChEMBL_2576952	Inhibition of HDAC in human BXD-1425EPN cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay
50022624	7	ChEMBL_2576960	Inhibition of EZH2 in human BXD-1425EPN cells assessed as reduction in cell viability incubated for 120 hrs by MTT assay
50022624	8	ChEMBL_2576961	Inhibition of EZH2 in human DKFZ-EP1 cells assessed as reduction in cell viability incubated for 120 hrs by MTT assay
50022624	9	ChEMBL_2576963	Inhibition of EZH2 in human EPN8 cells assessed as reduction in cell viability incubated for 120 hrs by MTT assay
50022625	1	ChEMBL_2576989	Inhibition of GLUT1 in human SK-OV-3 cells assessed as decrease in conversion of D-[5-3H(N)]-glucose to 3H2O incubated for 24 hrs by liquid scintillation counting
50022625	2	ChEMBL_2576990	Inhibition of GLUT1 in human OVCAR-3 cells assessed as decrease in conversion of D-[5-3H(N)]-glucose to 3H2O incubated for 24 hrs by liquid scintillation counting
50022625	3	ChEMBL_2576991	Inhibition of GLUT1 in human HEY cells assessed as decrease in conversion of D-[5-3H(N)]-glucose to 3H2O incubated for 24 hrs by liquid scintillation counting
50022625	4	ChEMBL_2576997	Inhibition of GLUT1 in human OVCR-429 cells assessed as decrease in conversion of D-[5-3H(N)]-glucose to 3H2O incubated for 24 hrs by liquid scintillation counting
50022625	5	ChEMBL_2576998	Inhibition of GLUT1 in human OVCA-432 cells assessed as decrease in conversion of D-[5-3H(N)]-glucose to 3H2O incubated for 24 hrs by liquid scintillation counting
50022626	1	ChEMBL_2577109	Inhibition of BRD4 (unknown origin) by FRET-assay
50022627	3	ChEMBL_2577392	Inhibition of JAK3 (unknown origin) in presence of ATP by radiometric assay
50022628	1	ChEMBL_2577471	Inhibitory activity against ATAD2 (unknown origin) at bromodomain incubated for 180 min by Tr-FRET assay
50022628	2	ChEMBL_2577472	Inhibition of BRD2 BD1 (unknown origin) incubated for 180 min by Tr-FRET assay
50022628	3	ChEMBL_2577473	Inhibition of BRD2 BD2 (unknown origin) incubated for 180 min by Tr-FRET assay
50022628	4	ChEMBL_2577474	Inhibition of BRD3 BD1 (unknown origin) incubated for 180 min by Tr-FRET assay
50022628	5	ChEMBL_2577475	Inhibition of BRD3 BD2 (unknown origin) incubated for 180 min by Tr-FRET assay
50022628	6	ChEMBL_2577476	Inhibition of BRD4 BD1 (unknown origin) incubated for 180 min by Tr-FRET assay
50022628	7	ChEMBL_2577477	Inhibition of BRD4 BD2 (unknown origin) incubated for 180 min by Tr-FRET assay
50022629	1	ChEMBL_2577566	Inhibition of GLP (unknown origin)
50022629	2	ChEMBL_2577567	Inhibition of EZH2 (unknown origin)
50022630	1	ChEMBL_2578451	Inhibition of His6-tagged recombinant human CDK1/cyclin B expressed in baculovirus infected Sf21 cells by scintillation counter analysis
50022630	2	ChEMBL_2578453	Inhibition of His6-tagged recombinant human CDK2/cyclin E expressed in baculovirus infected Sf21 cells using histone H1 as substrate in the presence of gamma-32P-ATP by scintillation counter analysis
50022630	3	ChEMBL_2578454	Inhibition of His6-tagged recombinant human CDK4/cyclin D1 expressed in baculovirus infected Sf21 cells using GST-retinoblastoma(773-928) as substrate in presence of gamma-32P-ATP by scintillation counter analysis
50022630	4	ChEMBL_2578455	Inhibition of His6-tagged recombinant human CDK7/cyclin H expressed in baculovirus infected Sf21 cells in presence of gamma-32P-ATP by scintillation counter analysis
50022630	5	ChEMBL_2578456	Inhibition of human ERK-2 using myelin as substrate in presence of gamma-32P-ATP by scintillation counter analysis
50022630	6	ChEMBL_2578457	Inhibition of human PKA
50022630	7	ChEMBL_2578458	Inhibition of human PKC
50022630	8	ChEMBL_2578459	Inhibition of human SAPK2A using myelin as substrate in presence of gamma-32P-ATP by scintillation counter analysis
50022631	1	ChEMBL_2578520	Inhibition of human Itk using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	2	ChEMBL_2578521	Inhibition of Txk (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	3	ChEMBL_2578522	Inhibition of Tec (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	4	ChEMBL_2578523	Inhibition of Btk (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	5	ChEMBL_2578524	Inhibition of Bmx (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	6	ChEMBL_2578525	Inhibition of Lck (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	7	ChEMBL_2578526	Inhibition of Fyn (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	8	ChEMBL_2578527	Inhibition of Syk (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	9	ChEMBL_2578528	Inhibition of ZAP-70 (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	10	ChEMBL_2578529	Inhibition of IR (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	11	ChEMBL_2578530	Inhibition of EGFR (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	12	ChEMBL_2578531	Inhibition of Cdk2 (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	13	ChEMBL_2578532	Inhibition of ERK-1 (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	14	ChEMBL_2578533	Inhibition of PKA (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	15	ChEMBL_2578534	Inhibition of PKC (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	16	ChEMBL_2578535	Inhibition of Akt1 (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	17	ChEMBL_2578536	Inhibition of IKKbeta (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	18	ChEMBL_2578538	Inhibition of GSK-3beta (unknown origin) using GST-SLP-76 as peptide substrate incubated for 10 mins in presence of [gamma-33P]ATP by scintillation counter assay
50022631	19	ChEMBL_2578561	Inhibition of Itk in human Jurkat T cells assessed as inhibition of Ca2+ mobilization incubated for 30 mins in presence of anti-CD3 antibody G19-4 by fluo-3 AM based fluorometric imaging analysis
50022631	20	ChEMBL_2578562	Inhibition of Itk in human Jurkat T cells assessed as inhibition of IL-2 secretion incubated for 16 hrs in presence of anti-CD3 antibody G19-4 by ELISA analysis
50022631	21	ChEMBL_2578563	Inhibition of Itk in human PBMC cells assessed as inhibition of IL-2 secretion incubated for 16 hrs in presence of anti-CD3 antibody G19-4 by ELISA analysis
50022631	22	ChEMBL_2578564	Inhibition of Itk in mouse EL4 cells assessed as inhibition of IL-2 secretion incubated for 16 hrs in presence of anti-CD3 antibody G19-4 by ELISA analysis
50022631	23	ChEMBL_2578565	Inhibition of Itk in mouse Splenocyte cells assessed as inhibition of IL-2 secretion incubated for 16 hrs in presence of anti-CD3 antibody G19-4 by ELISA analysis
50022631	24	ChEMBL_2578566	Inhibition of Itk in LPS induced human PBMC cells assessed as inhibition of TNF alpha production
50022632	1	ChEMBL_2578573	Inhibition of GST tagged WT Abl (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	2	ChEMBL_2578574	Inhibition of GST tagged Abl M244V mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	3	ChEMBL_2578575	Inhibition of GST tagged Abl G250E mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	4	ChEMBL_2578577	Inhibition of GST tagged Abl Y253F mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	5	ChEMBL_2578578	Inhibition of GST tagged Abl Y253H mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	6	ChEMBL_2578579	Inhibition of GST tagged Abl E255K mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	7	ChEMBL_2578580	Inhibition of GST tagged Abl E255V mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	8	ChEMBL_2578581	Inhibition of GST tagged Abl F311L mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	9	ChEMBL_2578582	Inhibition of GST tagged Abl T315l mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	10	ChEMBL_2578583	Inhibition of GST tagged Abl F317L mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	11	ChEMBL_2578584	Inhibition of GST tagged Abl M351T mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	12	ChEMBL_2578585	Inhibition of GST tagged Abl F359V mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	13	ChEMBL_2578586	Inhibition of GST tagged Abl V379I mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	14	ChEMBL_2578587	Inhibition of GST tagged Abl L387M mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	15	ChEMBL_2578588	Inhibition of GST tagged Abl H396P mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	16	ChEMBL_2578589	Inhibition of GST tagged Abl H396R mutant (unknown origin) assessed as inhibition of phosphorylation using biotin-EAIYAAPFAKKK-amide as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	17	ChEMBL_2578590	Inhibition of GST tagged Src (unknown origin) assessed as inhibition of phosphorylation using PTK biotinylated peptide substrate 2 as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	18	ChEMBL_2578591	Inhibition of GST tagged Lyn (unknown origin) assessed as inhibition of phosphorylation using PTK biotinylated peptide substrate 2 as substrate preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	19	ChEMBL_2578608	Inhibition of GST tagged WT Abl (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	20	ChEMBL_2578609	Inhibition of GST tagged Abl M244V mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	21	ChEMBL_2578610	Inhibition of GST tagged Abl G250E mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	22	ChEMBL_2578612	Inhibition of GST tagged Abl Y253F mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	23	ChEMBL_2578613	Inhibition of GST tagged Abl Y253H mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	24	ChEMBL_2578614	Inhibition of GST tagged Abl E255K mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	25	ChEMBL_2578615	Inhibition of GST tagged Abl E255V mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	26	ChEMBL_2578616	Inhibition of GST tagged Abl F311L mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	27	ChEMBL_2578617	Inhibition of GST tagged Abl T315l mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	28	ChEMBL_2578618	Inhibition of GST tagged Abl F317L mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	29	ChEMBL_2578619	Inhibition of GST tagged Abl M351T mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	30	ChEMBL_2578620	Inhibition of GST tagged Abl F359V mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	31	ChEMBL_2578621	Inhibition of GST tagged Abl V379I mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	32	ChEMBL_2578622	Inhibition of GST tagged Abl L387M mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	33	ChEMBL_2578623	Inhibition of GST tagged Abl H396P mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	34	ChEMBL_2578624	Inhibition of GST tagged Abl H396R mutant (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	35	ChEMBL_2578625	Inhibition of GST tagged Src (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	36	ChEMBL_2578626	Inhibition of GST tagged Lyn (unknown origin) assessed as inhibition of phosphorylation preincubated for 5 mins followed by [gamma-32P]ATP addition
50022632	37	ChEMBL_2578662	Inhibition of WT BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of cell growth incubated for 72 hrs by methane-thiosulfonate-based CellTiter96 viability analysis
50022632	38	ChEMBL_2578698	Inhibition of WT BCR-ABL (unknown origin) expressed in mouse BaF3 cells assessed as inhibition of tyrosine phosphorylation incubated for 3 hrs by immunoblotting analysis
50022633	1	ChEMBL_2578754	Inhibition of recombinant human PKCbetaII using myelin basic protein as substrate incubated for 60 mins in presence of 33p-ATP and ATP by microbeta scintillation counter analysis
50022633	2	ChEMBL_2578755	Inhibition of recombinant human PKCalpha using myelin basic protein as substrate incubated for 60 mins in presence of 33p-ATP and ATP by microbeta scintillation counter analysis
50022633	3	ChEMBL_2578756	Inhibition of recombinant human PKCgamma using myelin basic protein as substrate incubated for 60 mins in presence of 33p-ATP and ATP by microbeta scintillation counter analysis
50022633	4	ChEMBL_2578757	Inhibition of recombinant human PKCepsilon using myelin basic protein as substrate incubated for 60 mins in presence of 33p-ATP and ATP by microbeta scintillation counter analysis
50022634	1	ChEMBL_2578843	Inhibition of human aurora A
50022634	2	ChEMBL_2578844	Inhibition of human aurora B
50022634	3	ChEMBL_2578845	Inhibition of human aurora C
50022634	4	ChEMBL_2578846	Inhibition of human FLT3
50022635	1	ChEMBL_2578885	Inhibition of PLK1 (unknown origin)
50022635	2	ChEMBL_2578886	Inhibition of PLK2 (unknown origin)
50022635	3	ChEMBL_2578887	Inhibition of PLK3 (unknown origin)
50022636	1	ChEMBL_2578905	Binding affinity to Aurora A (unknown origin) assessed as inhibition constant
50022636	2	ChEMBL_2578906	Binding affinity to Aurora B (unknown origin) assessed as inhibition constant
50022636	3	ChEMBL_2578907	Binding affinity to Aurora C (unknown origin) assessed as inhibition constant
50022636	4	ChEMBL_2578908	Inhibition of Aurora B in human SW620 cells assessed as inhibition of histone H3 phosphorylation at Ser10 residue incubated for 48 hrs
50022636	5	ChEMBL_2578954	Inhibition of Aurora A (unknown origin) using LRRWSLGL as substrate in presence of ATP traced with gamma 33-ATP by Scintillation Proximity Assay
50022636	6	ChEMBL_2578955	Inhibition of Aurora B (unknown origin) using peptide auroratide as substrate in presence of ATP traced with gamma 33-ATP by Scintillation Proximity Assay
50022636	7	ChEMBL_2578956	Inhibition of Aurora C (unknown origin) using peptide auroratide as substrate in presence of ATP traced with gamma 33-ATP by Scintillation Proximity Assay
50022637	1	ChEMBL_2578972	Inhibition of HDAC10 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022637	2	ChEMBL_2578973	Inhibition of human HDAC8 using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022637	3	ChEMBL_2578974	Inhibition of HDAC6 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022637	4	ChEMBL_2578975	Inhibition of HDAC2 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022637	5	ChEMBL_2578976	Inhibition of HDAC3 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022637	6	ChEMBL_2578977	Inhibition of HDAC1 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate incubated for 15 mins by fluorescence plate reader analysis
50022638	1	ChEMBL_2579041	Inhibition of His-tagged human ROCK2 expressed in Sf9 cells pre-incubated for 10 mins before S6 peptide substrate addition in presence of [33P]ATP and measured after 20 mins by scintillation counting
50022638	2	ChEMBL_2579051	Inhibition of MYLK (unknown origin)
50022638	3	ChEMBL_2579052	Inhibition of ZIP (unknown origin)
50022638	4	ChEMBL_2579053	Inhibition of human ALK
50022638	5	ChEMBL_2579054	Inhibition of human aurora A
50022638	6	ChEMBL_2579055	Inhibition of human AXL
50022638	7	ChEMBL_2579056	Inhibition of human CDK7
50022638	8	ChEMBL_2579057	Inhibition of human c-RAF
50022638	9	ChEMBL_2579058	Inhibition of human FMS
50022638	10	ChEMBL_2579059	Inhibition of human MET
50022638	11	ChEMBL_2579061	Inhibition of human MST2
50022638	12	ChEMBL_2579063	Inhibition of human TrkB
50022638	13	ChEMBL_2579064	Inhibition of human PKA
50022638	14	ChEMBL_2579065	Inhibition of human PKBalpha
50022638	15	ChEMBL_2579066	Inhibition of human PKBbeta
50022638	16	ChEMBL_2579067	Inhibition of human PKBgamma
50022638	17	ChEMBL_2579068	Inhibition of human TrkA
50022638	18	ChEMBL_2579069	Inhibition of human FLT3
50022638	19	ChEMBL_2579070	Inhibition of human ROCK1
50022638	20	ChEMBL_2579071	Inhibition of human ROCK2
50022638	21	ChEMBL_2579072	Inhibition of L-type calcium channel (unknown origin)
50022639	1	ChEMBL_2579075	Inhibition of His6-tagged human c-Met Y1230C mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	2	ChEMBL_2579076	Inhibition of His6-tagged wild type human c-Met expressed in Sf9 cells using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	3	ChEMBL_2579077	Inhibition of un -tagged wild type human c-Met expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	4	ChEMBL_2579078	Inhibition of His6-tagged human c-Met Y1230H mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	5	ChEMBL_2579079	Inhibition of His6-tagged human c-Met D1228H mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	6	ChEMBL_2579082	Inhibition of His6-tagged human c-Met L1195V mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	7	ChEMBL_2579083	Inhibition of His6-tagged human c-Met H1094R mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	8	ChEMBL_2579084	Inhibition of His6-tagged human c-Met Y1235D mutant expressed in Sf9 cells pre-incubated with enzyme for 30 mins prior to addition of ATP using (Glu4Tyr) or Met2 peptide substrate by Omnia fluorometric assay
50022639	9	ChEMBL_2579085	Inhibition of un-activated human c-Met expressed in Sf9 cells using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	10	ChEMBL_2579086	Inhibition of activated human c-Met expressed in Sf9 cells using (Glu4Tyr) or Met2 peptide substrate by coupled enzymatic assay
50022639	11	ChEMBL_2579087	Binding affinity to human c-Met catalytic domain (1051-1348 residues) expressed in Sf9 cells by SPR
50022639	12	ChEMBL_2579099	Inhibition of wild type endogenous c-Met in human A549 cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	13	ChEMBL_2579102	Inhibition of wild type human c-Met expressed in mouse 3T3 cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	14	ChEMBL_2579104	Inhibition of human c-Met H1094R mutant expressed in mouse 3T3 cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	15	ChEMBL_2579105	Inhibition of human c-Met Y1230C mutant expressed in mouse 3T3 cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	16	ChEMBL_2579106	Inhibition of human c-Met M1250T mutant expressed in mouse 3T3 cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	17	ChEMBL_2579107	Inhibition of wild type human c-Met expressed in human T47D cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	18	ChEMBL_2579108	Inhibition of human c-Met Y1235D mutant expressed in human T47D cells assessed as reduction in cellular c-Met phosphorylation incubated for 1 hr followed by 20 mins stimulation with HGF by ELISA
50022639	19	ChEMBL_2579339	Inhibition of ALK (unknown origin)
50022639	20	ChEMBL_2579340	Inhibition of EphB2 (unknown origin)
50022639	21	ChEMBL_2579341	Inhibition of HGFR (unknown origin)
50022639	22	ChEMBL_2579342	Inhibition of IGF1R (unknown origin)
50022640	1	ChEMBL_2579356	Inhibition of GST-fused His-tagged recombinant FAK KD (411 to 686 residues) (unknown origin) expressed in baculovirus infected Sf9 cells using poly(Glu:Tyr) as substrate in presence of ATP by coomassie blue staining based ELISA screening assay
50022641	1	ChEMBL_2579514	Binding affinity to recombinant human C-terminal His-tagged MIF expressed in Escherichia coli BL21 (DE3) at 400 nM incubated for 6 hrs using labelled compound by scintillation proximity assay
50022641	2	ChEMBL_2579517	Binding affinity to BTZO-12 sensor chip immobilized human MIF expressed in Escherichia coli BL21 (DE3) by SPR analysis
50022641	3	ChEMBL_2579529	Inhibition of [3H]-BTZO-1 binding to recombinant human C-terminal His-tagged MIF expressed in Escherichia coli BL21 (DE3) measured after 3 hrs by SPA
50022641	4	ChEMBL_2579530	Inhibition of recombinant rat MIF expressed in Escherichia coli BL21 (DE3) assessed as reduction in tautomerase activity using L-dopachrome carboxy-methyl ester as substrate by spectrophotometry
50022642	1	ChEMBL_2579532	Inhibition of GST-tagged recombinant human JAK1 (866 to 1154 residues) expressed in insect cells using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022642	2	ChEMBL_2579533	Inhibition of GST-tagged recombinant JAK2 (unknown origin) expressed in baculovirus expression system using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022642	3	ChEMBL_2579534	Inhibition of GST-tagged recombinant JAK3 (unknown origin) expressed in baculovirus expression system using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022642	4	ChEMBL_2579535	Inhibition of GST-tagged recombinant FLT3 (unknown origin) expressed in baculovirus expression system using poly(Glu,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022642	5	ChEMBL_2579536	Inhibition of GST-tagged recombinant FLT3 D835Y mutant (unknown origin) expressed in baculovirus expression system using poly(Glu,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022642	6	ChEMBL_2579537	Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as reduction in phosphorylated FLT3 protein expression incubated for 3 hrs by Western blot analysis
50022642	7	ChEMBL_2579538	Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as reduction in phosphorylated STAT5 protein expression incubated for 3 hrs by Western blot analysis
50022642	8	ChEMBL_2579539	Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as reduction in phosphorylated ERK1/2 protein expression incubated for 3 hrs by Western blot analysis
50022642	9	ChEMBL_2579540	Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as reduction in phosphorylated AKT protein expression incubated for 3 hrs by Western blot analysis
50022642	10	ChEMBL_2579541	Inhibition of FLT3-ITD mutant in human MOLM-13 cells assessed as reduction in phosphorylated FLT3 protein expression incubated for 3 hrs in presence of FLT3 ligand by Western blot analysis
50022642	11	ChEMBL_2579542	Inhibition of FLT3-ITD mutant in human MOLM-13 cells assessed as reduction in phosphorylated STAT5 protein expression incubated for 3 hrs in presence of FLT3 ligand by Western blot analysis
50022642	12	ChEMBL_2579544	Inhibition of FLT3 in human RS4-11 cells assessed as reduction in phosphorylated FLT3 protein expression incubated for 3 hrs in presence of FLT3 ligand by Western blot analysis
50022642	13	ChEMBL_2579545	Inhibition of FLT3 in human RS4-11 cells assessed as reduction in phosphorylated STAT5 protein expression incubated for 3 hrs in presence of FLT3 ligand by Western blot analysis
50022642	14	ChEMBL_2579579	Inhibition of FLT3 in human derived Acute myeloid leukemic cells assessed as reduction in phosphorylated FLT3 protein expression after 3 hrs by Western blot analysis
50022642	15	ChEMBL_2579580	Inhibition of FLT3 in human derived Acute myeloid leukemic cells assessed as reduction in phosphorylated STAT5 protein expression after 3 hrs by Western blot analysis
50022642	16	ChEMBL_2579581	Inhibition of FLT3 in human derived Acute myeloid leukemic cells assessed as reduction in phosphorylated STAT3 protein expression after 3 hrs by Western blot analysis
50022642	17	ChEMBL_2579613	Inhibition of JAK in human MV4-11 cells harboring FLT3-ITD mutant assessed as reduction in cell viability incubated for 48 hr by CellTiter-Glo assay
50022642	18	ChEMBL_2579614	Inhibition of JAK in human linifanib-resistant MV4-11 cells harboring FLT3-ITD mutant assessed as reduction in cell viability incubated for 48 hr by CellTiter-Glo assay
50022642	19	ChEMBL_2579618	Inhibition of GST-tagged recombinant TYK2 (unknown origin) expressed in baculovirus expression system using poly(Glu,Ala,Tyr) as substrate incubated for 2 hrs in presence of ATP by luminescence method
50022643	1	ChEMBL_2579619	Inhibition of HDAC6 (unknown origin)
50022644	1	ChEMBL_2580185	Inhibition of CDK1/Cyclin B1 (unknown origin) using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50022644	2	ChEMBL_2580188	Inhibition of CDK4/Cyclin D1 (unknown origin) using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50022644	3	ChEMBL_2580189	Inhibition of CDK6/Cyclin D3 (unknown origin) using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50022644	4	ChEMBL_2580190	Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50022644	5	ChEMBL_2580191	Inhibition of CDK9/Cyclin T1 (unknown origin) using ULight MBP peptide as substrate in presence of ATP incubated for 1 hr by FRET based LANCE Ultra KinaSelect screen assay
50022644	6	ChEMBL_2580198	Displacement of kinase tracer 236 from CDK7/Cyclin H/MAT1 (unknown origin) assessed as dissociation constant incubated for 1 hr by LanthScreen Eu kinase binding assay
50022644	7	ChEMBL_2580199	Displacement of kinase tracer 236 from CDK9/Cyclin T1 (unknown origin) assessed as dissociation constant incubated for 1 hr by LanthScreen Eu kinase binding assay
50022644	8	ChEMBL_2580212	Inhibition of GSK3A (unknown origin) incubated for 120 mins in presence of 33P-ATP by radiometric kinase assay
50022644	9	ChEMBL_2580213	Inhibition of MAP4K4 (unknown origin) incubated for 120 mins in presence of 33P-ATP by radiometric kinase assay
50022644	10	ChEMBL_2580214	Inhibition of ABL2 (unknown origin) incubated for 120 mins in presence of 33P-ATP by radiometric kinase assay
50022644	11	ChEMBL_2580215	Inhibition of CAMK4 (unknown origin) incubated for 120 mins in presence of 33P-ATP by radiometric kinase assay
50022645	1	ChEMBL_2581581	Inhibition of PKC in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	2	ChEMBL_2581582	Inhibition of Aurora A in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	3	ChEMBL_2581585	Inhibition of AKT in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	4	ChEMBL_2581586	Inhibition of CDK2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	5	ChEMBL_2581589	Inhibition of RAF in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	6	ChEMBL_2581594	Inhibition of RET in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	7	ChEMBL_2581595	Inhibition of Aurora B in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	8	ChEMBL_2581597	Inhibition of JAK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	9	ChEMBL_2581601	Inhibition of JAK2-V617F mutant in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	10	ChEMBL_2581602	Inhibition of CSF1R in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	11	ChEMBL_2581603	Inhibition of PKA in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	12	ChEMBL_2581604	Inhibition of ABL in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	13	ChEMBL_2581606	Inhibition of FLT3 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	14	ChEMBL_2581607	Inhibition of ALK5 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	15	ChEMBL_2581609	Inhibition of p-38a MAPK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	16	ChEMBL_2581610	Inhibition of Src family in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	17	ChEMBL_2581611	Inhibition of LCK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	18	ChEMBL_2581612	Inhibition of FYN in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	19	ChEMBL_2581613	Inhibition of HCK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	20	ChEMBL_2581614	Inhibition of c-JUN in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	21	ChEMBL_2581615	Inhibition of JAK1/JAK2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	22	ChEMBL_2581616	Inhibition of JAK2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	23	ChEMBL_2581617	Inhibition of ERB2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	24	ChEMBL_2581618	Inhibition of ERB4 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	25	ChEMBL_2581620	Inhibition of PKCB in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	26	ChEMBL_2581622	Inhibition of FGFR in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	27	ChEMBL_2581623	Inhibition of SRC in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	28	ChEMBL_2581625	Inhibition of BCR-ABL in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	29	ChEMBL_2581627	Inhibition of Hsp90 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	30	ChEMBL_2581629	Inhibition of Bcl-2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	31	ChEMBL_2581630	Inhibition of MEK1 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	32	ChEMBL_2581634	Inhibition of PLK1 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	33	ChEMBL_2581635	Inhibition of ERB2/EGFR in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	34	ChEMBL_2581636	Inhibition of IKK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	35	ChEMBL_2581639	Inhibition of GSK3beta in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	36	ChEMBL_2581640	Inhibition of BET in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	37	ChEMBL_2581641	Inhibition of PDGFRA/B in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	38	ChEMBL_2581644	Inhibition of MEK1/2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	39	ChEMBL_2581645	Inhibition of IR in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	40	ChEMBL_2581646	Inhibition of TNKS1 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	41	ChEMBL_2581648	Inhibition of c-MET in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	42	ChEMBL_2581649	Inhibition of PDGFRB in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	43	ChEMBL_2581653	Inhibition of AKT1 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	44	ChEMBL_2581654	Inhibition of AKT2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	45	ChEMBL_2581655	Inhibition of AKT3 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	46	ChEMBL_2581656	Inhibition of IGF1R in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	47	ChEMBL_2581657	Inhibition of ALK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	48	ChEMBL_2581658	Inhibition of IKKB in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	49	ChEMBL_2581660	Inhibition of PDPK1 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	50	ChEMBL_2581661	Inhibition of BRAF-V600E in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	51	ChEMBL_2581662	Inhibition of mTOR in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	52	ChEMBL_2581663	Inhibition of Syk in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	53	ChEMBL_2581665	Inhibition of STAT3 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	54	ChEMBL_2581666	Inhibition of survivin in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	55	ChEMBL_2581667	Inhibition of TNKS2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	56	ChEMBL_2581668	Inhibition of EGFR in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	57	ChEMBL_2581671	Inhibition of KIT in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	58	ChEMBL_2581672	Inhibition of VEGFR2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	59	ChEMBL_2581673	Inhibition of PKC in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	60	ChEMBL_2581678	Inhibition of Aurora B in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	61	ChEMBL_2581680	Inhibition of JAK in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	62	ChEMBL_2581684	Inhibition of CSF1R in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	63	ChEMBL_2581685	Inhibition of PKA in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	64	ChEMBL_2581687	Inhibition of FLT3 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	65	ChEMBL_2581688	Inhibition of PDGFRB in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	66	ChEMBL_2581689	Inhibition of KIT in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	67	ChEMBL_2581690	Inhibition of ALK5 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	68	ChEMBL_2581692	Inhibition of RET in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	69	ChEMBL_2581693	Inhibition of p-38a MAPK in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	70	ChEMBL_2581694	Inhibition of Src family in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	71	ChEMBL_2581695	Inhibition of LCK in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	72	ChEMBL_2581696	Inhibition of FYN in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	73	ChEMBL_2581697	Inhibition of HCK in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	74	ChEMBL_2581698	Inhibition of c-JUN in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	75	ChEMBL_2581699	Inhibition of JAK1/JAK2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	76	ChEMBL_2581700	Inhibition of ERB2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	77	ChEMBL_2581701	Inhibition of ERB4 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	78	ChEMBL_2581703	Inhibition of ERB2/EGFR in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	79	ChEMBL_2581704	Inhibition of PKCB in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	80	ChEMBL_2581708	Inhibition of EGFR/ERB2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	81	ChEMBL_2581710	Inhibition of Hsp90 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	82	ChEMBL_2581711	Inhibition of AKT in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	83	ChEMBL_2581713	Inhibition of Bcl-2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	84	ChEMBL_2581720	Inhibition of JAK-2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	85	ChEMBL_2581721	Inhibition of MEK1 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	86	ChEMBL_2581725	Inhibition of PLK1 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	87	ChEMBL_2581726	Inhibition of IKK in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	88	ChEMBL_2581729	Inhibition of GSK3Beta in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	89	ChEMBL_2581730	Inhibition of BET in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	90	ChEMBL_2581731	Inhibition of PDGFRA/B in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	91	ChEMBL_2581735	Inhibition of MEK1/2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	92	ChEMBL_2581736	Inhibition of IGF1R in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	93	ChEMBL_2581738	Inhibition of IR in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	94	ChEMBL_2581739	Inhibition of mTOR in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	95	ChEMBL_2581745	Inhibition of AKT1 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	96	ChEMBL_2581746	Inhibition of AKT2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	97	ChEMBL_2581747	Inhibition of AKT3 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	98	ChEMBL_2581748	Inhibition of IKKB in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	99	ChEMBL_2581749	Inhibition of Aurora A in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	100	ChEMBL_2581750	Inhibition of BCR-ABL in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	101	ChEMBL_2581751	Inhibition of Src in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	102	ChEMBL_2581754	Inhibition of PDPK1 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	103	ChEMBL_2581755	Inhibition of Raf in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	104	ChEMBL_2581756	Inhibition of BRAF-V600E in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	105	ChEMBL_2581757	Inhibition of Syk in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	106	ChEMBL_2581759	Inhibition of STAT3 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	107	ChEMBL_2581760	Inhibition of Abl in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	108	ChEMBL_2581761	Inhibition of TNKS1 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	109	ChEMBL_2581762	Inhibition of FGFR in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	110	ChEMBL_2581763	Inhibition of survivin in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	111	ChEMBL_2581765	Inhibition of VEGFR2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	112	ChEMBL_2581766	Inhibition of JAK2V617F in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	113	ChEMBL_2581767	Inhibition of TNKS2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	114	ChEMBL_2581772	Inhibition of Aurora B in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	115	ChEMBL_2581774	Inhibition of JAK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	116	ChEMBL_2581778	Inhibition of CSF1R in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	117	ChEMBL_2581779	Inhibition of PKA in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	118	ChEMBL_2581781	Inhibition of FLT3 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	119	ChEMBL_2581782	Inhibition of PDGFRB in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	120	ChEMBL_2581783	Inhibition of KIT in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	121	ChEMBL_2581784	Inhibition of ALK5 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	122	ChEMBL_2581786	Inhibition of RET in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	123	ChEMBL_2581787	Inhibition of p-38a MAPK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	124	ChEMBL_2581788	Inhibition of Src family in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	125	ChEMBL_2581789	Inhibition of LCK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	126	ChEMBL_2581790	Inhibition of FYN in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	127	ChEMBL_2581791	Inhibition of HCK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	128	ChEMBL_2581792	Inhibition of c-JUN in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	129	ChEMBL_2581793	Inhibition of JAK1/JAK2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	130	ChEMBL_2581794	Inhibition of ERB2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	131	ChEMBL_2581795	Inhibition of ERB4 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	132	ChEMBL_2581797	Inhibition of ERB2/EGFR in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	133	ChEMBL_2581798	Inhibition of PKCB in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	134	ChEMBL_2581802	Inhibition of EGFR/ERB2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	135	ChEMBL_2581804	Inhibition of Hsp90 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	136	ChEMBL_2581805	Inhibition of AKT in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	137	ChEMBL_2581807	Inhibition of Bcl-2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	138	ChEMBL_2581814	Inhibition of JAK-2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	139	ChEMBL_2581815	Inhibition of MEK1 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	140	ChEMBL_2581819	Inhibition of PLK1 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	141	ChEMBL_2581820	Inhibition of IKK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	142	ChEMBL_2581823	Inhibition of GSK3Beta in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	143	ChEMBL_2581824	Inhibition of BET in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	144	ChEMBL_2581825	Inhibition of PDGFRA/B in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	145	ChEMBL_2581829	Inhibition of MEK1/2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	146	ChEMBL_2581830	Inhibition of IGF1R in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	147	ChEMBL_2581831	Inhibition of ALK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	148	ChEMBL_2581832	Inhibition of IR in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	149	ChEMBL_2581833	Inhibition of mTOR in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	150	ChEMBL_2581835	Inhibition of c-KIT in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	151	ChEMBL_2581839	Inhibition of AKT1 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	152	ChEMBL_2581840	Inhibition of AKT2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	153	ChEMBL_2581841	Inhibition of AKT3 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	154	ChEMBL_2581842	Inhibition of IKKB in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	155	ChEMBL_2581843	Inhibition of Aurora A in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	156	ChEMBL_2581844	Inhibition of BCR-ABL in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	157	ChEMBL_2581845	Inhibition of Src in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	158	ChEMBL_2581846	Inhibition of c-Met in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	159	ChEMBL_2581847	Inhibition of PDPK1 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	160	ChEMBL_2581848	Inhibition of Raf in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	161	ChEMBL_2581849	Inhibition of BRAF-V600E in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	162	ChEMBL_2581850	Inhibition of Syk in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	163	ChEMBL_2581852	Inhibition of STAT3 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	164	ChEMBL_2581853	Inhibition of Abl in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	165	ChEMBL_2581854	Inhibition of TNKS1 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	166	ChEMBL_2581855	Inhibition of FGFR in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	167	ChEMBL_2581856	Inhibition of survivin in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	168	ChEMBL_2581858	Inhibition of VEGFR2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	169	ChEMBL_2581859	Inhibition of JAK2V617F in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	170	ChEMBL_2581860	Inhibition of TNKS2 in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	171	ChEMBL_2581861	Inhibition of PKC in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	172	ChEMBL_2581866	Inhibition of Aurora B in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	173	ChEMBL_2581868	Inhibition of JAK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	174	ChEMBL_2581872	Inhibition of CSF1R in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	175	ChEMBL_2581873	Inhibition of PKA in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	176	ChEMBL_2581875	Inhibition of FLT3 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	177	ChEMBL_2581876	Inhibition of PDGFRB in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	178	ChEMBL_2581877	Inhibition of KIT in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	179	ChEMBL_2581878	Inhibition of ALK5 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	180	ChEMBL_2581880	Inhibition of RET in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	181	ChEMBL_2581881	Inhibition of p-38a MAPK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	182	ChEMBL_2581882	Inhibition of Src family in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	183	ChEMBL_2581883	Inhibition of LCK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	184	ChEMBL_2581884	Inhibition of FYN in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	185	ChEMBL_2581885	Inhibition of HCK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	186	ChEMBL_2581886	Inhibition of c-JUN in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	187	ChEMBL_2581887	Inhibition of JAK1/JAK2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	188	ChEMBL_2581888	Inhibition of ERB2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	189	ChEMBL_2581889	Inhibition of ERB4 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	190	ChEMBL_2581891	Inhibition of ERB2/EGFR in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	191	ChEMBL_2581892	Inhibition of PKCB in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	192	ChEMBL_2581896	Inhibition of EGFR/ERB2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	193	ChEMBL_2581898	Inhibition of Hsp90 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	194	ChEMBL_2581899	Inhibition of AKT in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	195	ChEMBL_2581901	Inhibition of Bcl-2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	196	ChEMBL_2581908	Inhibition of JAK-2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	197	ChEMBL_2581909	Inhibition of MEK1 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	198	ChEMBL_2581913	Inhibition of PLK1 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	199	ChEMBL_2581914	Inhibition of IKK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	200	ChEMBL_2581917	Inhibition of GSK3Beta in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	201	ChEMBL_2581918	Inhibition of BET in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	202	ChEMBL_2581919	Inhibition of PDGFRA/B in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	203	ChEMBL_2581923	Inhibition of MEK1/2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	204	ChEMBL_2581924	Inhibition of IGF1R in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	205	ChEMBL_2581925	Inhibition of ALK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	206	ChEMBL_2581926	Inhibition of IR in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	207	ChEMBL_2581927	Inhibition of mTOR in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	208	ChEMBL_2581932	Inhibition of AKT1 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	209	ChEMBL_2581933	Inhibition of AKT2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	210	ChEMBL_2581934	Inhibition of AKT3 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	211	ChEMBL_2581935	Inhibition of IKKB in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	212	ChEMBL_2581936	Inhibition of Aurora A in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	213	ChEMBL_2581937	Inhibition of BCR-ABL in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	214	ChEMBL_2581938	Inhibition of Src in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	215	ChEMBL_2581939	Inhibition of c-Met in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	216	ChEMBL_2581940	Inhibition of PDPK1 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	217	ChEMBL_2581941	Inhibition of Raf in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	218	ChEMBL_2581942	Inhibition of BRAF-V600E in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	219	ChEMBL_2581943	Inhibition of Syk in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	220	ChEMBL_2581945	Inhibition of STAT3 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	221	ChEMBL_2581946	Inhibition of Abl in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	222	ChEMBL_2581947	Inhibition of TNKS1 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	223	ChEMBL_2581948	Inhibition of FGFR in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	224	ChEMBL_2581949	Inhibition of survivin in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	225	ChEMBL_2581951	Inhibition of VEGFR2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	226	ChEMBL_2581952	Inhibition of JAK2V617F in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	227	ChEMBL_2581953	Inhibition of TNKS2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	228	ChEMBL_2581954	Inhibition of PKC in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	229	ChEMBL_2581959	Inhibition of Aurora B in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	230	ChEMBL_2581961	Inhibition of JAK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	231	ChEMBL_2581965	Inhibition of CSF1R in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	232	ChEMBL_2581966	Inhibition of PKA in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	233	ChEMBL_2581968	Inhibition of FLT3 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	234	ChEMBL_2581969	Inhibition of PDGFRB in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	235	ChEMBL_2581970	Inhibition of KIT in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	236	ChEMBL_2581971	Inhibition of ALK5 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	237	ChEMBL_2581973	Inhibition of RET in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	238	ChEMBL_2581974	Inhibition of p-38a MAPK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	239	ChEMBL_2581975	Inhibition of Src family in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	240	ChEMBL_2581976	Inhibition of LCK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	241	ChEMBL_2581977	Inhibition of FYN in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	242	ChEMBL_2581978	Inhibition of HCK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	243	ChEMBL_2581979	Inhibition of c-JUN in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	244	ChEMBL_2581980	Inhibition of JAK1/JAK2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	245	ChEMBL_2581981	Inhibition of ERB2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	246	ChEMBL_2581982	Inhibition of ERB4 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	247	ChEMBL_2581984	Inhibition of ERB2/EGFR in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	248	ChEMBL_2581985	Inhibition of PKCB in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	249	ChEMBL_2581989	Inhibition of EGFR/ERB2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	250	ChEMBL_2581991	Inhibition of Hsp90 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	251	ChEMBL_2581992	Inhibition of AKT in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	252	ChEMBL_2581994	Inhibition of Bcl-2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	253	ChEMBL_2582001	Inhibition of JAK-2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	254	ChEMBL_2582002	Inhibition of MEK1 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	255	ChEMBL_2582006	Inhibition of PLK1 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	256	ChEMBL_2582007	Inhibition of IKK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	257	ChEMBL_2582010	Inhibition of GSK3Beta in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	258	ChEMBL_2582011	Inhibition of BET in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	259	ChEMBL_2582012	Inhibition of PDGFRA/B in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	260	ChEMBL_2582016	Inhibition of MEK1/2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	261	ChEMBL_2582017	Inhibition of IGF1R in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	262	ChEMBL_2582018	Inhibition of ALK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	263	ChEMBL_2582019	Inhibition of IR in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	264	ChEMBL_2582020	Inhibition of mTOR in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	265	ChEMBL_2582025	Inhibition of AKT1 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	266	ChEMBL_2582026	Inhibition of AKT2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	267	ChEMBL_2582027	Inhibition of AKT3 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	268	ChEMBL_2582028	Inhibition of IKKB in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	269	ChEMBL_2582029	Inhibition of Aurora A in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	270	ChEMBL_2582030	Inhibition of BCR-ABL in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	271	ChEMBL_2582031	Inhibition of Src in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	272	ChEMBL_2582032	Inhibition of c-Met in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	273	ChEMBL_2582033	Inhibition of PDPK1 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	274	ChEMBL_2582034	Inhibition of Raf in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	275	ChEMBL_2582035	Inhibition of BRAF-V600E in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	276	ChEMBL_2582036	Inhibition of Syk in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	277	ChEMBL_2582038	Inhibition of STAT3 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	278	ChEMBL_2582039	Inhibition of Abl in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	279	ChEMBL_2582040	Inhibition of TNKS1 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	280	ChEMBL_2582041	Inhibition of FGFR in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	281	ChEMBL_2582042	Inhibition of survivin in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	282	ChEMBL_2582044	Inhibition of VEGFR2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	283	ChEMBL_2582045	Inhibition of JAK2V617F in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	284	ChEMBL_2582046	Inhibition of TNKS2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	285	ChEMBL_2582047	Inhibition of PKC in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	286	ChEMBL_2582052	Inhibition of Aurora B in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	287	ChEMBL_2582054	Inhibition of JAK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	288	ChEMBL_2582058	Inhibition of CSF1R in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	289	ChEMBL_2582059	Inhibition of PKA in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	290	ChEMBL_2582061	Inhibition of FLT3 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	291	ChEMBL_2582062	Inhibition of PDGFRB in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	292	ChEMBL_2582063	Inhibition of KIT in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	293	ChEMBL_2582064	Inhibition of ALK5 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	294	ChEMBL_2582066	Inhibition of RET in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	295	ChEMBL_2582067	Inhibition of p-38a MAPK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	296	ChEMBL_2582068	Inhibition of Src family in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	297	ChEMBL_2582069	Inhibition of LCK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	298	ChEMBL_2582070	Inhibition of FYN in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	299	ChEMBL_2582071	Inhibition of HCK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	300	ChEMBL_2582072	Inhibition of c-JUN in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	301	ChEMBL_2582073	Inhibition of JAK1/JAK2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	302	ChEMBL_2582074	Inhibition of ERB2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	303	ChEMBL_2582075	Inhibition of ERB4 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	304	ChEMBL_2582077	Inhibition of ERB2/EGFR in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	305	ChEMBL_2582078	Inhibition of PKCB in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	306	ChEMBL_2582082	Inhibition of EGFR/ERB2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	307	ChEMBL_2582084	Inhibition of Hsp90 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	308	ChEMBL_2582085	Inhibition of AKT in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	309	ChEMBL_2582087	Inhibition of Bcl-2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	310	ChEMBL_2582094	Inhibition of JAK-2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	311	ChEMBL_2582095	Inhibition of MEK1 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	312	ChEMBL_2582099	Inhibition of PLK1 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	313	ChEMBL_2582100	Inhibition of IKK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	314	ChEMBL_2582103	Inhibition of GSK3Beta in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	315	ChEMBL_2582104	Inhibition of BET in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	316	ChEMBL_2582105	Inhibition of PDGFRA/B in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	317	ChEMBL_2582109	Inhibition of MEK1/2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	318	ChEMBL_2582110	Inhibition of IGF1R in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	319	ChEMBL_2582111	Inhibition of ALK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	320	ChEMBL_2582112	Inhibition of IR in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	321	ChEMBL_2582113	Inhibition of mTOR in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	322	ChEMBL_2582118	Inhibition of AKT1 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	323	ChEMBL_2582119	Inhibition of AKT2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	324	ChEMBL_2582120	Inhibition of AKT3 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	325	ChEMBL_2582121	Inhibition of IKKB in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	326	ChEMBL_2582122	Inhibition of Aurora A in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	327	ChEMBL_2582123	Inhibition of BCR-ABL in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	328	ChEMBL_2582124	Inhibition of Src in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	329	ChEMBL_2582125	Inhibition of c-Met in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	330	ChEMBL_2582126	Inhibition of PDPK1 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	331	ChEMBL_2582127	Inhibition of Raf in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	332	ChEMBL_2582128	Inhibition of BRAF-V600E in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	333	ChEMBL_2582129	Inhibition of Syk in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	334	ChEMBL_2582131	Inhibition of STAT3 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	335	ChEMBL_2582132	Inhibition of Abl in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	336	ChEMBL_2582133	Inhibition of TNKS1 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	337	ChEMBL_2582134	Inhibition of FGFR in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	338	ChEMBL_2582135	Inhibition of survivin in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	339	ChEMBL_2582137	Inhibition of VEGFR2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	340	ChEMBL_2582138	Inhibition of JAK2V617F in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	341	ChEMBL_2582139	Inhibition of TNKS2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	342	ChEMBL_2582140	Inhibition of PKC in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	343	ChEMBL_2582245	Inhibition of EGFR/ERB2 in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	344	ChEMBL_2582247	Inhibition of CDK2 in bortezomib Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	345	ChEMBL_2582249	Inhibition of CDK2 in melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	346	ChEMBL_2582251	Inhibition of CDK2 in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	347	ChEMBL_2582254	Inhibition of CDK2 in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022645	348	ChEMBL_2582257	Inhibition of CDK2 in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferation assay
50022646	1	ChEMBL_2582625	Inhibition of recombinant human full-length N-terminal His6-tagged p110delta/recombinant human full length untagged p85alpha expressed in baculovirus infected Sf21 insect cells using phosphatidylinositol-(3,4,5)-trisphosphate as substrate by HTRF assay
50022646	2	ChEMBL_2582714	Inhibition of recombinant human full-length N-terminal GST-tagged CK1epsilon expressed in baculovirus infected Sf9 insect cells using casein as substrate measured after 60 mins by ADP-glo kinase assay
50022646	3	ChEMBL_2583103	Inhibition of human ABL1 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	4	ChEMBL_2583104	Inhibition of human ABL2 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	5	ChEMBL_2583105	Inhibition of human ACK1 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	6	ChEMBL_2583106	Inhibition of human AKT1 using KGSGSGRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	7	ChEMBL_2583107	Inhibition of human AKT2 using KGSGSGRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	8	ChEMBL_2583108	Inhibition of human AKT3 using KGSGSGRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	9	ChEMBL_2583109	Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	10	ChEMBL_2583110	Inhibition of human ARK5 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	11	ChEMBL_2583111	Inhibition of human ASK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	12	ChEMBL_2583112	Inhibition of human Aurora A using H-LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	13	ChEMBL_2583113	Inhibition of human Aurora B using H-LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	14	ChEMBL_2583114	Inhibition of human Aurora C using H-LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	15	ChEMBL_2583115	Inhibition of human AXL using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	16	ChEMBL_2583116	Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	17	ChEMBL_2583117	Inhibition of human BMPR2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	18	ChEMBL_2583118	Inhibition of human BMX using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	19	ChEMBL_2583119	Inhibition of human BRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	20	ChEMBL_2583120	Inhibition of human BRSK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	21	ChEMBL_2583121	Inhibition of human BRSK2 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	22	ChEMBL_2583122	Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	23	ChEMBL_2583123	Inhibition of human c-Kit using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	24	ChEMBL_2583124	Inhibition of human c-MER using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	25	ChEMBL_2583125	Inhibition of human c-MET using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	26	ChEMBL_2583126	Inhibition of human c-Src using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	27	ChEMBL_2583127	Inhibition of human CAMK1a using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	28	ChEMBL_2583128	Inhibition of human CAMK1b using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	29	ChEMBL_2583129	Inhibition of human CAMK1d using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	30	ChEMBL_2583130	Inhibition of human CAMK1g using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	31	ChEMBL_2583131	Inhibition of human CAMK2a using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	32	ChEMBL_2583132	Inhibition of human CAMK2b using KKALRRQETVDAL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	33	ChEMBL_2583133	Inhibition of human CAMK2d using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	34	ChEMBL_2583134	Inhibition of human CAMK2g using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	35	ChEMBL_2583135	Inhibition of human CAMK4 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	36	ChEMBL_2583136	Inhibition of human CAMKK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	37	ChEMBL_2583137	Inhibition of human CAMKK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	38	ChEMBL_2583138	Inhibition of human CDC7/DBF4 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	39	ChEMBL_2583139	Inhibition of human CDK1/cyclin A using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	40	ChEMBL_2583140	Inhibition of human CDK1/cyclin B using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	41	ChEMBL_2583141	Inhibition of human CDK1/cyclin E using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	42	ChEMBL_2583142	Inhibition of human CDK14/cyclin Y using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	43	ChEMBL_2583143	Inhibition of human CDK16/cyclin Y using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	44	ChEMBL_2583144	Inhibition of human CDK17/cyclin Y using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	45	ChEMBL_2583145	Inhibition of human CDK18/cyclin Y using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	46	ChEMBL_2583147	Inhibition of human CDK2/Cyclin A1 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	47	ChEMBL_2583148	Inhibition of human CDK2/cyclin E using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	48	ChEMBL_2583149	Inhibition of human CDK2/cyclin O using Histone H1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	49	ChEMBL_2583150	Inhibition of human CDK3/cyclin E using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	50	ChEMBL_2583151	Inhibition of human CDK4/cyclin D1 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	51	ChEMBL_2583152	Inhibition of human CDK4/cyclin D3 using RB-CTF as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	52	ChEMBL_2583153	Inhibition of human CDK5/p25 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	53	ChEMBL_2583154	Inhibition of human CDK5/p35 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	54	ChEMBL_2583155	Inhibition of human CDK6/cyclin D1 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	55	ChEMBL_2583156	Inhibition of human CDK6/cyclin D3 using RB Protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	56	ChEMBL_2583157	Inhibition of human CDK7/Cyclin H/MNAT1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	57	ChEMBL_2583158	Inhibition of human CDK9/cyclin K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	58	ChEMBL_2583159	Inhibition of human CDK9/cyclin T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	59	ChEMBL_2583160	Inhibition of human CHK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	60	ChEMBL_2583161	Inhibition of human CHK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	61	ChEMBL_2583162	Inhibition of human CK1a1 using KRRRAL[pS]VASLPGL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	62	ChEMBL_2583163	Inhibition of human CK1a1L using KRRRAL[pS]VASLPGL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	63	ChEMBL_2583164	Inhibition of human CK1g1 using KRRRAL[pS]VASLPGL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	64	ChEMBL_2583165	Inhibition of human CK1g2 using KRRRAL[pS]VASLPGL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	65	ChEMBL_2583166	Inhibition of human CK1g3 using KRRRAL[pS]VASLPGL as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	66	ChEMBL_2583167	Inhibition of human CK2a2 using RRRDDDSDDD as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	67	ChEMBL_2583168	Inhibition of human CLK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	68	ChEMBL_2583169	Inhibition of human CLK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	69	ChEMBL_2583170	Inhibition of human CLK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	70	ChEMBL_2583171	Inhibition of human CLK4 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	71	ChEMBL_2583172	Inhibition of human CSK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	72	ChEMBL_2583173	Inhibition of human CTK/MATK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	73	ChEMBL_2583174	Inhibition of human DAPK1 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	74	ChEMBL_2583175	Inhibition of human DAPK2 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	75	ChEMBL_2583176	Inhibition of human DCAMKL1 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	76	ChEMBL_2583177	Inhibition of human DCAMKL2 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	77	ChEMBL_2583178	Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	78	ChEMBL_2583179	Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	79	ChEMBL_2583180	Inhibition of human DLK/MAP3K12 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	80	ChEMBL_2583181	Inhibition of human DMPK using KKRNRRLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	81	ChEMBL_2583182	Inhibition of human DMPK2 using KKRPQRRYSNVF as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	82	ChEMBL_2583183	Inhibition of human DRAK1/STK17A using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	83	ChEMBL_2583184	Inhibition of human DYRK1/DYRK1A using RRRFRPASPLRGPPK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	84	ChEMBL_2583185	Inhibition of human DYRK1B using RRRFRPASPLRGPPK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	85	ChEMBL_2583186	Inhibition of human DYRK2 using RRRFRPASPLRGPPK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	86	ChEMBL_2583187	Inhibition of human DYRK3 using RRRFRPASPLRGPPK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	87	ChEMBL_2583188	Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	88	ChEMBL_2583189	Inhibition of human EPHA1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	89	ChEMBL_2583190	Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	90	ChEMBL_2583191	Inhibition of human EPHA3 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	91	ChEMBL_2583192	Inhibition of human EPHA4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	92	ChEMBL_2583193	Inhibition of human EPHA5 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	93	ChEMBL_2583194	Inhibition of human EPHA6 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	94	ChEMBL_2583195	Inhibition of human EPHA7 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	95	ChEMBL_2583196	Inhibition of human EPHA8 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	96	ChEMBL_2583197	Inhibition of human EPHB1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	97	ChEMBL_2583198	Inhibition of human EPHB2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	98	ChEMBL_2583199	Inhibition of human EPHB3 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	99	ChEMBL_2583200	Inhibition of human EPHB4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	100	ChEMBL_2583201	Inhibition of human ERBB2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	101	ChEMBL_2583202	Inhibition of human ERBB4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	102	ChEMBL_2583203	Inhibition of human ERK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	103	ChEMBL_2583204	Inhibition of human ERK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	104	ChEMBL_2583205	Inhibition of human ERK5 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	105	ChEMBL_2583206	Inhibition of human ERK7 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	106	ChEMBL_2583207	Inhibition of human ERN1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	107	ChEMBL_2583208	Inhibition of human ERN2/IRE2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	108	ChEMBL_2583209	Inhibition of human FAK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	109	ChEMBL_2583210	Inhibition of human FER using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	110	ChEMBL_2583211	Inhibition of human FES/FPS using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	111	ChEMBL_2583212	Inhibition of human FGFR1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	112	ChEMBL_2583213	Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	113	ChEMBL_2583214	Inhibition of human FGFR3 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	114	ChEMBL_2583215	Inhibition of human FGFR4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	115	ChEMBL_2583216	Inhibition of human FGR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	116	ChEMBL_2583217	Inhibition of human FLT1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	117	ChEMBL_2583218	Inhibition of human FLT3 using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	118	ChEMBL_2583219	Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	119	ChEMBL_2583220	Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	120	ChEMBL_2583221	Inhibition of human FRK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	121	ChEMBL_2583222	Inhibition of human FYN using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	122	ChEMBL_2583223	Inhibition of human GCK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	123	ChEMBL_2583224	Inhibition of human GLK/MAP4K3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	124	ChEMBL_2583225	Inhibition of human GRK1 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	125	ChEMBL_2583226	Inhibition of human GRK2 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	126	ChEMBL_2583227	Inhibition of human GRK3 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	127	ChEMBL_2583228	Inhibition of human GRK4 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	128	ChEMBL_2583229	Inhibition of human GRK5 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	129	ChEMBL_2583230	Inhibition of human GRK6 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	130	ChEMBL_2583231	Inhibition of human GRK7 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	131	ChEMBL_2583232	Inhibition of human GSK3a using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	132	ChEMBL_2583233	Inhibition of human GSK3b using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	133	ChEMBL_2583234	Inhibition of human Haspin using histone H3 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	134	ChEMBL_2583235	Inhibition of human HCK using KVEKIGEGTYGVVYK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	135	ChEMBL_2583236	Inhibition of human HGK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	136	ChEMBL_2583237	Inhibition of human HIPK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	137	ChEMBL_2583238	Inhibition of human HIPK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	138	ChEMBL_2583239	Inhibition of human HIPK4 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	139	ChEMBL_2583240	Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	140	ChEMBL_2583241	Inhibition of human IKKa using KKKKERLLDDRHDSGLDSMKDEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	141	ChEMBL_2583242	Inhibition of human IKKb using KKKKERLLDDRHDSGLDSMKDEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	142	ChEMBL_2583243	Inhibition of human IKKe using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	143	ChEMBL_2583244	Inhibition of human IR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	144	ChEMBL_2583245	Inhibition of human IRAK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	145	ChEMBL_2583246	Inhibition of human IRAK4 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	146	ChEMBL_2583247	Inhibition of human IRR using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	147	ChEMBL_2583248	Inhibition of human ITK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	148	ChEMBL_2583249	Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	149	ChEMBL_2583250	Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	150	ChEMBL_2583251	Inhibition of human JAK3 using GGEEEEYFELVKKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	151	ChEMBL_2583252	Inhibition of human JNK1-alpha1 using ATF2 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	152	ChEMBL_2583253	Inhibition of human JNK2-alpha2 using ATF2 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	153	ChEMBL_2583254	Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	154	ChEMBL_2583255	Inhibition of human KHS using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	155	ChEMBL_2583256	Inhibition of human KSR1 using KRREILSRRPSYR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	156	ChEMBL_2583257	Inhibition of human KSR2 using KRREILSRRPSYR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	157	ChEMBL_2583258	Inhibition of human LATS1 using KKRNRRLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	158	ChEMBL_2583259	Inhibition of human LATS2 using KKRNRRLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	159	ChEMBL_2583260	Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	160	ChEMBL_2583261	Inhibition of human LCK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	161	ChEMBL_2583262	Inhibition of human LIMK1 using cofilin 1 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	162	ChEMBL_2583263	Inhibition of human LIMK2 using cofilin 2 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	163	ChEMBL_2583264	Inhibition of human LKB1 using LSNLYHQGKFLQTFCGSPLYRRR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	164	ChEMBL_2583265	Inhibition of human LOK/STK10 using RLGRDKYKTLRQIRQ as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	165	ChEMBL_2583266	Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	166	ChEMBL_2583267	Inhibition of human LYN using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	167	ChEMBL_2583268	Inhibition of human LYN B using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	168	ChEMBL_2583269	Inhibition of human MAK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	169	ChEMBL_2583270	Inhibition of human MAPKAPK2 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	170	ChEMBL_2583271	Inhibition of human MAPKAPK3 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	171	ChEMBL_2583272	Inhibition of human MAPKAPK5 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	172	ChEMBL_2583273	Inhibition of human MARK1 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	173	ChEMBL_2583274	Inhibition of human PAR-1Ba using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	174	ChEMBL_2583275	Inhibition of human MARK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	175	ChEMBL_2583276	Inhibition of human MARK4 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	176	ChEMBL_2583277	Inhibition of human MEK1 using ERK2 (K52R) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	177	ChEMBL_2583278	Inhibition of human MEK2 using ERK2 (K52R) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	178	ChEMBL_2583279	Inhibition of human MEK3 using p38a (K53A) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	179	ChEMBL_2583280	Inhibition of human MEK5 using ERK5 (K84R) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	180	ChEMBL_2583281	Inhibition of human MEKK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	181	ChEMBL_2583282	Inhibition of human MEKK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	182	ChEMBL_2583283	Inhibition of human MEKK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	183	ChEMBL_2583284	Inhibition of human MEKK6 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	184	ChEMBL_2583285	Inhibition of human MELK using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	185	ChEMBL_2583286	Inhibition of human MINK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	186	ChEMBL_2583287	Inhibition of human MKK4 using JNK1 (K55M) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	187	ChEMBL_2583288	Inhibition of human MKK6 using p38a (K53A) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	188	ChEMBL_2583289	Inhibition of human MKK7 using JNK (K55M) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	189	ChEMBL_2583290	Inhibition of human MLCK using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	190	ChEMBL_2583291	Inhibition of human MLCK2 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	191	ChEMBL_2583292	Inhibition of human MLK1 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	192	ChEMBL_2583293	Inhibition of human MLK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	193	ChEMBL_2583294	Inhibition of human MLK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	194	ChEMBL_2583295	Inhibition of human MLK4 using MEK1 (K97R) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	195	ChEMBL_2583296	Inhibition of human MNK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	196	ChEMBL_2583297	Inhibition of human MNK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	197	ChEMBL_2583298	Inhibition of human MRCKa using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	198	ChEMBL_2583299	Inhibition of human MRCKb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	199	ChEMBL_2583300	Inhibition of human MSK1 using GRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	200	ChEMBL_2583301	Inhibition of human MSK2 using GRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	201	ChEMBL_2583302	Inhibition of human MSSK1 using GRSRSRSRSR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	202	ChEMBL_2583303	Inhibition of human MST1 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	203	ChEMBL_2583304	Inhibition of human MST2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	204	ChEMBL_2583305	Inhibition of human MST3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	205	ChEMBL_2583306	Inhibition of human MST4 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	206	ChEMBL_2583307	Inhibition of human MUSK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	207	ChEMBL_2583308	Inhibition of human MYLK3 using KKRPQRRYSNVF as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	208	ChEMBL_2583309	Inhibition of human MYLK4 using KKRPQRRYSNVF as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	209	ChEMBL_2583310	Inhibition of human MYO3A using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	210	ChEMBL_2583311	Inhibition of human MYO3b using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	211	ChEMBL_2583312	Inhibition of human NEK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	212	ChEMBL_2583313	Inhibition of human NEK11 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	213	ChEMBL_2583314	Inhibition of human NEK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	214	ChEMBL_2583315	Inhibition of human NEK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	215	ChEMBL_2583316	Inhibition of human NEK4 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	216	ChEMBL_2583317	Inhibition of human NEK5 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	217	ChEMBL_2583318	Inhibition of human NEK8 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	218	ChEMBL_2583319	Inhibition of human NEK9 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	219	ChEMBL_2583320	Inhibition of human NIM1 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	220	ChEMBL_2583321	Inhibition of human NLK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	221	ChEMBL_2583322	Inhibition of human OSR1 using RRHYYYDTHTNTYYLRTFGHNTRR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	222	ChEMBL_2583323	Inhibition of human P38d using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	223	ChEMBL_2583324	Inhibition of human P38g using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	224	ChEMBL_2583325	Inhibition of human p70S6K using KKRNRTLTK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	225	ChEMBL_2583326	Inhibition of human p70S6Kb using KKRNRTLTK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	226	ChEMBL_2583327	Inhibition of human PAK1 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	227	ChEMBL_2583328	Inhibition of human PAK2 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	228	ChEMBL_2583329	Inhibition of human PAK3 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	229	ChEMBL_2583330	Inhibition of human PAK4 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	230	ChEMBL_2583331	Inhibition of human PAK5 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	231	ChEMBL_2583332	Inhibition of human PAK6 using RRRLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	232	ChEMBL_2583333	Inhibition of human PASK using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	233	ChEMBL_2583334	Inhibition of human PBK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	234	ChEMBL_2583335	Inhibition of human PDGFRa using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	235	ChEMBL_2583336	Inhibition of human PDGFRb using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	236	ChEMBL_2583337	Inhibition of human PDK1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	237	ChEMBL_2583338	Inhibition of human PEAK1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	238	ChEMBL_2583339	Inhibition of human PHKg1 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	239	ChEMBL_2583340	Inhibition of human PHKg2 using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	240	ChEMBL_2583341	Inhibition of human PIM1 using RSRHSSYPAGT as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	241	ChEMBL_2583342	Inhibition of human PIM2 using RSRHSSYPAGT as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	242	ChEMBL_2583343	Inhibition of human PIM3 using RSRHSSYPAGT as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	243	ChEMBL_2583345	Inhibition of human PKAcb using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	244	ChEMBL_2583346	Inhibition of human PKAcg using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	245	ChEMBL_2583347	Inhibition of human PKCa using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	246	ChEMBL_2583348	Inhibition of human PKCb1 using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	247	ChEMBL_2583349	Inhibition of human PKCb2 using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	248	ChEMBL_2583350	Inhibition of human PKCd using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	249	ChEMBL_2583351	Inhibition of human PKCepsilon using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	250	ChEMBL_2583352	Inhibition of human PKCeta using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	251	ChEMBL_2583353	Inhibition of human PKCg using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	252	ChEMBL_2583354	Inhibition of human PKCiota using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	253	ChEMBL_2583355	Inhibition of human PKCmu using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	254	ChEMBL_2583356	Inhibition of human PKCnu using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	255	ChEMBL_2583357	Inhibition of human PKCtheta using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	256	ChEMBL_2583358	Inhibition of human PKCzeta using ERMRPRKRQGSVRRRV as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	257	ChEMBL_2583359	Inhibition of human PKD2 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	258	ChEMBL_2583360	Inhibition of human PKG1a using LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	259	ChEMBL_2583361	Inhibition of human PKG1b using LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	260	ChEMBL_2583362	Inhibition of human PKG2 using LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	261	ChEMBL_2583363	Inhibition of human PKN1 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	262	ChEMBL_2583364	Inhibition of human PKN2 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	263	ChEMBL_2583365	Inhibition of human PKN3 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	264	ChEMBL_2583366	Inhibition of human PLK1 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	265	ChEMBL_2583367	Inhibition of human PLK2 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	266	ChEMBL_2583368	Inhibition of human PLK3 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	267	ChEMBL_2583369	Inhibition of human PLK4 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	268	ChEMBL_2583370	Inhibition of human PRKX using LRRASLG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	269	ChEMBL_2583371	Inhibition of human PYK2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	270	ChEMBL_2583372	Inhibition of human RET using RRRRRRRRRRRVYSTDYYRLFNPS as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	271	ChEMBL_2583373	Inhibition of human RIPK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	272	ChEMBL_2583374	Inhibition of human RIPK5 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	273	ChEMBL_2583375	Inhibition of human ROCK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	274	ChEMBL_2583376	Inhibition of human ROCK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	275	ChEMBL_2583377	Inhibition of human RON using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	276	ChEMBL_2583378	Inhibition of human ROS using KKKSPGEYVNIEFG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	277	ChEMBL_2583379	Inhibition of human RSK1 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	278	ChEMBL_2583380	Inhibition of human RSK2 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	279	ChEMBL_2583381	Inhibition of human RSK3 using KKLNRTLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	280	ChEMBL_2583382	Inhibition of human RSK4 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	281	ChEMBL_2583383	Inhibition of human SBK1 using LCGRTGRRNSI as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	282	ChEMBL_2583384	Inhibition of human SGK1 using KGSGSGRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	283	ChEMBL_2583385	Inhibition of human SGK2 using KGSGSGRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	284	ChEMBL_2583386	Inhibition of human SGK3 using GRPRTSSFAEG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	285	ChEMBL_2583387	Inhibition of human SIK1 using AMARAASAAALARRR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	286	ChEMBL_2583388	Inhibition of human SIK2 using AMARAASAAALARRR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	287	ChEMBL_2583389	Inhibition of human SIK3 using AMARAASAAALARRR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	288	ChEMBL_2583390	Inhibition of human SLK using histone H3 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	289	ChEMBL_2583391	Inhibition of human SNARK using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	290	ChEMBL_2583392	Inhibition of human SNRK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	291	ChEMBL_2583393	Inhibition of human SRMS using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	292	ChEMBL_2583394	Inhibition of human SRPK1 using GRSRSRSRSR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	293	ChEMBL_2583395	Inhibition of human SRPK2 using GRSRSRSRSR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	294	ChEMBL_2583396	Inhibition of human SSTK using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	295	ChEMBL_2583397	Inhibition of human STK16 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	296	ChEMBL_2583398	Inhibition of human STK21 using KKRPQRRYSNVF as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	297	ChEMBL_2583399	Inhibition of human STK22D using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	298	ChEMBL_2583400	Inhibition of human STK25 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	299	ChEMBL_2583401	Inhibition of human STK32B using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	300	ChEMBL_2583402	Inhibition of human STK32C using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	301	ChEMBL_2583403	Inhibition of human STK33 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	302	ChEMBL_2583404	Inhibition of human STK38 using KKRNRRLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	303	ChEMBL_2583405	Inhibition of human STK38L using KKRNRRLSVA as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	304	ChEMBL_2583406	Inhibition of human STK39 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	305	ChEMBL_2583407	Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	306	ChEMBL_2583408	Inhibition of human TAK1 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	307	ChEMBL_2583409	Inhibition of human TAOK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	308	ChEMBL_2583410	Inhibition of human TAOK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	309	ChEMBL_2583411	Inhibition of human TAOK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	310	ChEMBL_2583412	Inhibition of human TBK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	311	ChEMBL_2583413	Inhibition of human TEC using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	312	ChEMBL_2583414	Inhibition of human TESK1 using cofilin 2 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	313	ChEMBL_2583415	Inhibition of human TIE2 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	314	ChEMBL_2583416	Inhibition of human TLK1 using histone H3 as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	315	ChEMBL_2583417	Inhibition of human TLK2 using casein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	316	ChEMBL_2583418	Inhibition of human TNIK using RLGRDKYKTLRQIRQ as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	317	ChEMBL_2583419	Inhibition of human TNK1 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	318	ChEMBL_2583420	Inhibition of human TRKA using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	319	ChEMBL_2583421	Inhibition of human TRKB using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	320	ChEMBL_2583422	Inhibition of human TRKC using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	321	ChEMBL_2583423	Inhibition of human TSSK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	322	ChEMBL_2583424	Inhibition of human TSSK3 using KKKVSRSGLYRSPSMPENLNRPR as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	323	ChEMBL_2583425	Inhibition of human TXK using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	324	ChEMBL_2583426	Inhibition of human TYK1/LTK using EAIYAAPFAKKK as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	325	ChEMBL_2583427	Inhibition of human TYK2 using KKSRGDYMTMQIG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	326	ChEMBL_2583428	Inhibition of human TYRO3 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	327	ChEMBL_2583429	Inhibition of human ULK1 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	328	ChEMBL_2583430	Inhibition of human ULK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	329	ChEMBL_2583431	Inhibition of human ULK3 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	330	ChEMBL_2583432	Inhibition of human WNK2 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	331	ChEMBL_2583433	Inhibition of human YES using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	332	ChEMBL_2583434	Inhibition of human YSK4/MAP3K19 using myelin basic protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	333	ChEMBL_2583435	Inhibition of human ZAP70 using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022646	334	ChEMBL_2583436	Inhibition of human ZIPK using KKLNRTLSFAEPG as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by radiometric Hot-SpotSM Kinase assay
50022647	1	ChEMBL_2583437	Inhibition of PI3K alpha (unknown origin) by drug competition for substrate binding based assay
50022647	2	ChEMBL_2583438	Inhibition of PI3K beta (unknown origin) by drug competition for substrate binding based assay
50022647	3	ChEMBL_2583439	Inhibition of PI3K gamma (unknown origin) by drug competition for substrate binding based assay
50022647	4	ChEMBL_2583440	Inhibition of PI3K alpha (unknown origin) by PIP3 production detection based fluorescence assay
50022647	5	ChEMBL_2583441	Inhibition of PI3K beta (unknown origin)
50022647	6	ChEMBL_2583442	Inhibition of PI3K beta (unknown origin) by PIP3 production detection based fluorescence assay
50022647	7	ChEMBL_2583443	Inhibition of PI3K gamma (unknown origin) by PIP3 production detection based fluorescence assay
50022647	8	ChEMBL_2583444	Inhibition of PI3K alpha (unknown origin)
50022647	9	ChEMBL_2583445	Inhibition of PI3K gamma (unknown origin)
50022647	10	ChEMBL_2583446	Inhibition of PI3K alpha (unknown origin) by membrane capture assay
50022647	11	ChEMBL_2583447	Inhibition of PI3K beta (unknown origin) by membrane capture assay
50022647	12	ChEMBL_2583448	Inhibition of PI3K gamma (unknown origin) by membrane capture assay
50022647	13	ChEMBL_2583449	Inhibition of PIK3C2A (unknown origin) by PIP3 production detection based fluorescence assay
50022647	14	ChEMBL_2583450	Inhibition of PIK3C2B (unknown origin) by PIP3 production detection based fluorescence assay
50022647	15	ChEMBL_2583451	Inhibition of PIK3C2A (unknown origin) by drug competition for substrate binding based assay
50022647	16	ChEMBL_2583452	Inhibition of PIK3C2B (unknown origin) by drug competition for substrate binding based assay
50022647	17	ChEMBL_2583453	Inhibition of PIK3C2A (unknown origin)
50022647	18	ChEMBL_2583454	Inhibition of PIK3C2B (unknown origin)
50022647	19	ChEMBL_2583455	Inhibition of PIK3C2A (unknown origin) by membrane capture assay
50022647	20	ChEMBL_2583456	Inhibition of PIK3C2B (unknown origin) by membrane capture assay
50022647	21	ChEMBL_2583461	Inhibition of PI4KB (unknown origin) by drug competition for substrate binding based assay
50022647	22	ChEMBL_2583463	Inhibition of PI4KB (unknown origin) by membrane capture assay
50022647	23	ChEMBL_2583464	Inhibition of PI4KA (unknown origin) by membrane capture assay
50022647	24	ChEMBL_2583467	Inhibition of human PI3Kbeta assessed as reduction in PIP3 product complex formation measured after 30 mins in presence of ATP by quantitative PI3P ELISA assay
50022647	25	ChEMBL_2583468	Inhibition of human PI3Kbeta assessed as reduction in PIP3 product complex formation
50022647	26	ChEMBL_2583469	Inhibition of human VPS34 assessed as reduction in PIP3 product complex formation measured after 30 mins in presence of ATP by quantitative PI3P ELISA assay
50022647	27	ChEMBL_2583470	Inhibition of human VPS34 assessed as reduction in PIP3 product complex formation
50022648	1	ChEMBL_2583829	Binding affinity to DRD4 in human HEK293T cells membrane assessed as dissociation constant incubated for 2 hrs by radioligand saturation assay
50022648	2	ChEMBL_2583833	Binding affinity to human DRD4 fused with E.coli BRIL expressed in Sf9 insect cells assessed as dissociation constant incubated for 2 hrs by radioligand saturation assay
50022648	3	ChEMBL_2583834	Displacement of 3H-N-Methylspiperone from DRD4 in human HEK293T cells membrane assessed as inhibition constant incubated for 2 hrs by radioligand competition assay
50022648	4	ChEMBL_2583838	Binding affinity to DRD2 in human HEK293T cells membrane assessed as dissociation constant incubated for 2 hrs by radioligand saturation assay
50022648	5	ChEMBL_2583841	Displacement of 3H-N-Methylspiperone from DRD2 in human HEK293T cells membrane assessed as inhibition constant incubated for 2 hrs by radioligand competition assay
50022648	6	ChEMBL_2583845	Displacement of 3H-N-Methylspiperone from DRD3 in human HEK293T cells membrane assessed as inhibition constant incubated for 2 hrs by radioligand competition assay
50022649	1	ChEMBL_2583967	Inhibition of human CDK4/cyclin D1 preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	2	ChEMBL_2583969	Inhibition of human CDK6/cyclin D1 preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	3	ChEMBL_2583970	Inhibition of human CDK4/cyclin D3 preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	4	ChEMBL_2583971	Inhibition of human CDK6/cyclin D3 preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	5	ChEMBL_2583972	Inhibition of human GSK3beta preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	6	ChEMBL_2583974	Inhibition of human CAMK2beta preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	7	ChEMBL_2583975	Inhibition of human CAMK2delta preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	8	ChEMBL_2583976	Inhibition of human CAMK2gamma preincubated with compound for 20 mins followed by [33P]ATP addition and measured after 2 hrs by filter binding method
50022649	9	ChEMBL_2583988	Inhibition of AKT1 (unknown origin)
50022649	10	ChEMBL_2583989	Inhibition of AURKA (unknown origin)
50022649	11	ChEMBL_2583990	Inhibition of AURKB (unknown origin)
50022649	12	ChEMBL_2583991	Inhibition of BRAF (unknown origin)
50022649	13	ChEMBL_2583992	Inhibition of CDK1/cyclin B1 (unknown origin)
50022649	14	ChEMBL_2583993	Inhibition of CDK2/cyclin E (unknown origin)
50022649	15	ChEMBL_2583994	Inhibition of CDK4/cyclin D1 (unknown origin)
50022649	16	ChEMBL_2583995	Inhibition of CDK5/p25 (unknown origin)
50022649	17	ChEMBL_2583996	Inhibition of CDK5/p35 (unknown origin)
50022649	18	ChEMBL_2583997	Inhibition of CDK6/cyclin D1 (unknown origin)
50022649	19	ChEMBL_2583998	Inhibition of CDK7/CycH/MAT1 (unknown origin)
50022649	20	ChEMBL_2583999	Inhibition of CDK9/CycT1 (unknown origin)
50022649	21	ChEMBL_2584000	Inhibition of CSNK2A1 (unknown origin)
50022649	22	ChEMBL_2584001	Inhibition of CRAF (unknown origin)
50022649	23	ChEMBL_2584002	Inhibition of DRAK1 (unknown origin)
50022649	24	ChEMBL_2584003	Inhibition of DYRK2 (unknown origin)
50022649	25	ChEMBL_2584004	Inhibition of ERK1 (unknown origin)
50022649	26	ChEMBL_2584005	Inhibition of FLT3 (unknown origin)
50022649	27	ChEMBL_2584006	Inhibition of FLT3 D835Y mutant (unknown origin)
50022649	28	ChEMBL_2584007	Inhibition of GSK3B (unknown origin)
50022649	29	ChEMBL_2584008	Inhibition of HIPK2 (unknown origin)
50022649	30	ChEMBL_2584009	Inhibition of JNK3 (unknown origin)
50022649	31	ChEMBL_2584010	Inhibition of PIM1 (unknown origin)
50022649	32	ChEMBL_2584011	Inhibition of PIM2 (unknown origin)
50022649	33	ChEMBL_2584012	Inhibition of PLK1 (unknown origin)
50022649	34	ChEMBL_2584013	Inhibition of PLK3 (unknown origin)
50022649	35	ChEMBL_2584014	Inhibition of TRKA (unknown origin)
50022650	1	ChEMBL_2585379	Inhibition of purified-activated FAK kinase domain (amino acids 410-689) (unknown origin) using Glu and Tyr, p(Glu/Tyr) peptide in presence of ATP
50022650	2	ChEMBL_2585380	Inhibition of PYK2 (unknown origin)
50022650	3	ChEMBL_2585389	Binding affinity to human recombinant PYK2 (amino acids 420-691) expressed in Escherichia coli, BL21 (DE3) assessed as equilibrium dissociation constant by SPR assay
50022650	4	ChEMBL_2585394	Inhibition of full-length FAK (unknown origin) with N-terminal NanoLuc-fusion expressed in HEK293T cells by NanoBRET assay
50022650	5	ChEMBL_2585397	Inhibition of full-length PYK2 (unknown origin) with C-terminal NanoLuc-fusion expressed in HEK293T cells by NanoBRET assay